smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH]c(C[N@H+]2CCC(F)(F)[C@H](N)C2)c1C ZINC001206677132 964644033 /nfs/dbraw/zinc/64/40/33/964644033.db2.gz YQPNASYRXACXTE-LLVKDONJSA-N 1 2 243.301 1.800 20 0 BDADLO C[C@H]([NH2+]CC1CSC1)C(=O)OC(C)(C)C ZINC000697998635 964860783 /nfs/dbraw/zinc/86/07/83/964860783.db2.gz DZZLAURLYPHAIU-QMMMGPOBSA-N 1 2 231.361 1.669 20 0 BDADLO COCC(C)(C)Nc1ccc2c([nH+]1)CCOC2 ZINC001165983489 966228701 /nfs/dbraw/zinc/22/87/01/966228701.db2.gz CZYWIUSDBAJYAY-UHFFFAOYSA-N 1 2 236.315 1.991 20 0 BDADLO OCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919145219 966297511 /nfs/dbraw/zinc/29/75/11/966297511.db2.gz YUAAAUJHLBRILH-UHFFFAOYSA-N 1 2 202.257 1.466 20 0 BDADLO CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001236868569 966601781 /nfs/dbraw/zinc/60/17/81/966601781.db2.gz NKBKYHXLEAPPIG-NSHDSACASA-N 1 2 236.315 1.554 20 0 BDADLO Cc1nc2c(s1)CN(Cc1[nH]c[nH+]c1C)C2 ZINC001204595110 967089026 /nfs/dbraw/zinc/08/90/26/967089026.db2.gz WUCOQQRPTUMCET-UHFFFAOYSA-N 1 2 234.328 1.999 20 0 BDADLO CCn1cc(C[N@@H+](C)C2(C)COC2)cn1 ZINC001205544941 967680742 /nfs/dbraw/zinc/68/07/42/967680742.db2.gz MKWHHXSWRYOFDR-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CCN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC001163584376 968073883 /nfs/dbraw/zinc/07/38/83/968073883.db2.gz YWJIBUZDCHWWMA-UHFFFAOYSA-N 1 2 220.320 1.923 20 0 BDADLO CCN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC001163584376 968073893 /nfs/dbraw/zinc/07/38/93/968073893.db2.gz YWJIBUZDCHWWMA-UHFFFAOYSA-N 1 2 220.320 1.923 20 0 BDADLO Cc1cc(N[C@H]2C=CS(=O)(=O)C2)c[nH+]c1C ZINC001164014693 968157000 /nfs/dbraw/zinc/15/70/00/968157000.db2.gz BHYZBQXKMMYXAJ-JTQLQIEISA-N 1 2 238.312 1.421 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)no1 ZINC001206819951 968488934 /nfs/dbraw/zinc/48/89/34/968488934.db2.gz VMFQOOXXIWZKQK-GXSJLCMTSA-N 1 2 208.261 1.204 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)no1 ZINC001206819951 968488940 /nfs/dbraw/zinc/48/89/40/968488940.db2.gz VMFQOOXXIWZKQK-GXSJLCMTSA-N 1 2 208.261 1.204 20 0 BDADLO Cc1ncsc1C[N@@H+](C)C1(C)COC1 ZINC001206987856 968527555 /nfs/dbraw/zinc/52/75/55/968527555.db2.gz WCIAELJVXCUSKM-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncsc1C[N@H+](C)C1(C)COC1 ZINC001206987856 968527564 /nfs/dbraw/zinc/52/75/64/968527564.db2.gz WCIAELJVXCUSKM-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CCCC[C@@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001252095717 968574779 /nfs/dbraw/zinc/57/47/79/968574779.db2.gz FFEYWJLGMXNKDW-GFCCVEGCSA-N 1 2 243.347 1.565 20 0 BDADLO CCCC[C@@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001252095717 968574772 /nfs/dbraw/zinc/57/47/72/968574772.db2.gz FFEYWJLGMXNKDW-GFCCVEGCSA-N 1 2 243.347 1.565 20 0 BDADLO CCCC[C@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252117312 968603205 /nfs/dbraw/zinc/60/32/05/968603205.db2.gz TZLIYUJHCUCPMZ-JTQLQIEISA-N 1 2 239.319 1.508 20 0 BDADLO O=c1cccc(C[N@H+](C2CC2)C2COC2)[nH]1 ZINC001207074194 968610490 /nfs/dbraw/zinc/61/04/90/968610490.db2.gz XWONXWPFEZCOQG-UHFFFAOYSA-N 1 2 220.272 1.150 20 0 BDADLO O=c1cccc(C[N@@H+](C2CC2)C2COC2)[nH]1 ZINC001207074194 968610495 /nfs/dbraw/zinc/61/04/95/968610495.db2.gz XWONXWPFEZCOQG-UHFFFAOYSA-N 1 2 220.272 1.150 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001207416295 968754723 /nfs/dbraw/zinc/75/47/23/968754723.db2.gz BDCCBTLPYJVYGX-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001207416295 968754732 /nfs/dbraw/zinc/75/47/32/968754732.db2.gz BDCCBTLPYJVYGX-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO CCC[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252779745 968953120 /nfs/dbraw/zinc/95/31/20/968953120.db2.gz UEFPPFSDKKGXIN-MWLCHTKSSA-N 1 2 224.304 1.708 20 0 BDADLO C[C@H](C[N@H+]1C[C@H]2C[C@@H](C1)O2)C(F)(F)F ZINC001208905484 969297817 /nfs/dbraw/zinc/29/78/17/969297817.db2.gz ORYUGZXYLJPSFM-PRJMDXOYSA-N 1 2 209.211 1.658 20 0 BDADLO C[C@H](C[N@@H+]1C[C@H]2C[C@@H](C1)O2)C(F)(F)F ZINC001208905484 969297820 /nfs/dbraw/zinc/29/78/20/969297820.db2.gz ORYUGZXYLJPSFM-PRJMDXOYSA-N 1 2 209.211 1.658 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209566841 969549336 /nfs/dbraw/zinc/54/93/36/969549336.db2.gz VKGHEBZKWDXUIQ-NSHDSACASA-N 1 2 222.288 1.461 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)[nH]1 ZINC001209566841 969549340 /nfs/dbraw/zinc/54/93/40/969549340.db2.gz VKGHEBZKWDXUIQ-NSHDSACASA-N 1 2 222.288 1.461 20 0 BDADLO CN(C)c1ccc(NC[C@H](O)C(F)(F)F)[nH+]c1 ZINC001169459897 969662595 /nfs/dbraw/zinc/66/25/95/969662595.db2.gz XTNNRMUROIKJCZ-QMMMGPOBSA-N 1 2 249.236 1.483 20 0 BDADLO CCn1cc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210287149 969853737 /nfs/dbraw/zinc/85/37/37/969853737.db2.gz MGVAIAKNVZTRFT-UHFFFAOYSA-N 1 2 217.276 1.932 20 0 BDADLO CCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110036897 970058637 /nfs/dbraw/zinc/05/86/37/970058637.db2.gz ZPLMPFFYYULXDK-UHFFFAOYSA-N 1 2 234.303 1.256 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@H](C)CC(F)(F)F)CCO1 ZINC001255659600 970437396 /nfs/dbraw/zinc/43/73/96/970437396.db2.gz AHONRQBQSUTEQG-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H]1C[N@H+]([C@H](C)CC(F)(F)F)CCO1 ZINC001255659600 970437401 /nfs/dbraw/zinc/43/74/01/970437401.db2.gz AHONRQBQSUTEQG-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@H]1C[C@H]([NH+]2CC(C)(F)C2)CCO1 ZINC001170205512 970573717 /nfs/dbraw/zinc/57/37/17/970573717.db2.gz AMGMKDNXGRMGRI-ZJUUUORDSA-N 1 2 201.285 1.988 20 0 BDADLO CCOC(=O)N1CCC([NH2+][C@H]2CC2(F)F)CC1 ZINC001256231238 970719867 /nfs/dbraw/zinc/71/98/67/970719867.db2.gz PCVXJLVFSABLQB-VIFPVBQESA-N 1 2 248.273 1.605 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001095098506 975201498 /nfs/dbraw/zinc/20/14/98/975201498.db2.gz MFXZGCPSIRGJQK-UTLUCORTSA-N 1 2 246.301 1.426 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001095098506 975201503 /nfs/dbraw/zinc/20/15/03/975201503.db2.gz MFXZGCPSIRGJQK-UTLUCORTSA-N 1 2 246.301 1.426 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nncs1 ZINC001334171719 976345034 /nfs/dbraw/zinc/34/50/34/976345034.db2.gz MQEAUYMRRGZIIM-BBBLOLIVSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1nncs1 ZINC001334171719 976345051 /nfs/dbraw/zinc/34/50/51/976345051.db2.gz MQEAUYMRRGZIIM-BBBLOLIVSA-N 1 2 241.360 1.519 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1C=C(C)C ZINC001174556675 976864838 /nfs/dbraw/zinc/86/48/38/976864838.db2.gz FSOSMOLGAMYIHL-UHFFFAOYSA-N 1 2 209.249 1.523 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)CC(C)(C)C ZINC001230786566 977337128 /nfs/dbraw/zinc/33/71/28/977337128.db2.gz WJGRIBJQLPTHLW-NSHDSACASA-N 1 2 244.354 1.925 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)CC(C)(C)C ZINC001230786566 977337138 /nfs/dbraw/zinc/33/71/38/977337138.db2.gz WJGRIBJQLPTHLW-NSHDSACASA-N 1 2 244.354 1.925 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1ncccn1 ZINC001175706060 977687028 /nfs/dbraw/zinc/68/70/28/977687028.db2.gz CHGCMNWXKUBVJI-LBPRGKRZSA-N 1 2 237.347 1.706 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001175706060 977687033 /nfs/dbraw/zinc/68/70/33/977687033.db2.gz CHGCMNWXKUBVJI-LBPRGKRZSA-N 1 2 237.347 1.706 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231993849 977827931 /nfs/dbraw/zinc/82/79/31/977827931.db2.gz YEIRVZYGEGSMFN-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231993849 977827934 /nfs/dbraw/zinc/82/79/34/977827934.db2.gz YEIRVZYGEGSMFN-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncc(O)c2)C[C@H]1F ZINC001232039799 977866641 /nfs/dbraw/zinc/86/66/41/977866641.db2.gz WTLQPZKWUGWKRS-BXKDBHETSA-N 1 2 224.279 1.967 20 0 BDADLO Cc1scnc1C[N@@H+]1CCOC[C@](C)(O)C1 ZINC001232210028 977940224 /nfs/dbraw/zinc/94/02/24/977940224.db2.gz KLBREPJQLGJFFZ-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1scnc1C[N@H+]1CCOC[C@](C)(O)C1 ZINC001232210028 977940234 /nfs/dbraw/zinc/94/02/34/977940234.db2.gz KLBREPJQLGJFFZ-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO COC(=O)C1CC[NH+](Cc2cnsc2)CC1 ZINC001232226018 977950940 /nfs/dbraw/zinc/95/09/40/977950940.db2.gz LPDFSTLUJOBZOC-UHFFFAOYSA-N 1 2 240.328 1.528 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)s1 ZINC001232242909 977967082 /nfs/dbraw/zinc/96/70/82/977967082.db2.gz NNOBESLIIKNPTD-DTWKUNHWSA-N 1 2 245.323 1.141 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)s1 ZINC001232242909 977967092 /nfs/dbraw/zinc/96/70/92/977967092.db2.gz NNOBESLIIKNPTD-DTWKUNHWSA-N 1 2 245.323 1.141 20 0 BDADLO COc1ccc(C[N@H+](C)CC(C)=O)c(C)n1 ZINC001232330536 978002990 /nfs/dbraw/zinc/00/29/90/978002990.db2.gz FLWLZJDQDDYLAP-UHFFFAOYSA-N 1 2 222.288 1.419 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(C)=O)c(C)n1 ZINC001232330536 978002999 /nfs/dbraw/zinc/00/29/99/978002999.db2.gz FLWLZJDQDDYLAP-UHFFFAOYSA-N 1 2 222.288 1.419 20 0 BDADLO COc1ccc(C[N@H+](C)CCF)c(C)n1 ZINC001232336749 978012560 /nfs/dbraw/zinc/01/25/60/978012560.db2.gz GGZMTTFLZSBLMR-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO COc1ccc(C[N@@H+](C)CCF)c(C)n1 ZINC001232336749 978012568 /nfs/dbraw/zinc/01/25/68/978012568.db2.gz GGZMTTFLZSBLMR-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO CCN(Cc1ccc(N)nc1C)C1C[NH+](C)C1 ZINC001232341685 978022534 /nfs/dbraw/zinc/02/25/34/978022534.db2.gz ATBFCRLMMFWMGR-UHFFFAOYSA-N 1 2 234.347 1.108 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(C)cc(O)c1 ZINC001232879851 978314020 /nfs/dbraw/zinc/31/40/20/978314020.db2.gz JOYBQTZMHFURES-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)cc(O)c1 ZINC001232879851 978314029 /nfs/dbraw/zinc/31/40/29/978314029.db2.gz JOYBQTZMHFURES-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1(C)CC1 ZINC001337522308 978390153 /nfs/dbraw/zinc/39/01/53/978390153.db2.gz NWVFFVMEVZMVPK-SECBINFHSA-N 1 2 221.304 1.565 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccsn2)c[nH+]1 ZINC001178669608 978605735 /nfs/dbraw/zinc/60/57/35/978605735.db2.gz KQSIWFXYRLFNBZ-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccsn2)[nH+]1 ZINC001178669608 978605741 /nfs/dbraw/zinc/60/57/41/978605741.db2.gz KQSIWFXYRLFNBZ-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233447202 978606629 /nfs/dbraw/zinc/60/66/29/978606629.db2.gz XEKBLVCGZWXVHF-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cncc(Cl)n1 ZINC001233447202 978606635 /nfs/dbraw/zinc/60/66/35/978606635.db2.gz XEKBLVCGZWXVHF-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO C/C=C(/C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233560863 978624901 /nfs/dbraw/zinc/62/49/01/978624901.db2.gz NCPBLIXKLOITMI-FGUAACIASA-N 1 2 228.311 1.455 20 0 BDADLO C/C=C(/C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233560863 978624905 /nfs/dbraw/zinc/62/49/05/978624905.db2.gz NCPBLIXKLOITMI-FGUAACIASA-N 1 2 228.311 1.455 20 0 BDADLO COCCc1c[nH+]c2c(c1)OCCN2C ZINC001249938689 978714627 /nfs/dbraw/zinc/71/46/27/978714627.db2.gz IWOJEBHMTRTNIJ-UHFFFAOYSA-N 1 2 208.261 1.099 20 0 BDADLO CCN(C(=O)C1C(C)(C)C1(C)C)C1C[NH+](C)C1 ZINC001179693880 978741397 /nfs/dbraw/zinc/74/13/97/978741397.db2.gz DXNUDUWSSDTTDB-UHFFFAOYSA-N 1 2 238.375 1.831 20 0 BDADLO C=C(F)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001180112907 978821535 /nfs/dbraw/zinc/82/15/35/978821535.db2.gz NEZJSOSXOMJTGT-UHFFFAOYSA-N 1 2 206.220 1.414 20 0 BDADLO CCc1nccc(OC2C[NH+](CC)C2)n1 ZINC001234700544 978902521 /nfs/dbraw/zinc/90/25/21/978902521.db2.gz NCEJFUCZTYGFTN-UHFFFAOYSA-N 1 2 207.277 1.122 20 0 BDADLO COCC[N@H+](Cc1ncc(F)cn1)C(C)C ZINC001235003729 978947899 /nfs/dbraw/zinc/94/78/99/978947899.db2.gz KJXGNYTXYKRQFG-UHFFFAOYSA-N 1 2 227.283 1.473 20 0 BDADLO COCC[N@@H+](Cc1ncc(F)cn1)C(C)C ZINC001235003729 978947905 /nfs/dbraw/zinc/94/79/05/978947905.db2.gz KJXGNYTXYKRQFG-UHFFFAOYSA-N 1 2 227.283 1.473 20 0 BDADLO CC(=O)C[C@@H](C)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001181258805 979025826 /nfs/dbraw/zinc/02/58/26/979025826.db2.gz SRQZDEIBBYBDMX-SECBINFHSA-N 1 2 240.347 1.201 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1c(C)ncn1C ZINC001235550724 979092419 /nfs/dbraw/zinc/09/24/19/979092419.db2.gz VVIJGNWKZGHVAT-GFCCVEGCSA-N 1 2 235.331 1.672 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1c(C)ncn1C ZINC001235550724 979092431 /nfs/dbraw/zinc/09/24/31/979092431.db2.gz VVIJGNWKZGHVAT-GFCCVEGCSA-N 1 2 235.331 1.672 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1C[C@]1(F)Cl ZINC001181673121 979245114 /nfs/dbraw/zinc/24/51/14/979245114.db2.gz LSFHJDXGUVVPCW-GMSGAONNSA-N 1 2 245.685 1.003 20 0 BDADLO CC(C)(CC[NH2+][C@H](CC[NH3+])C(F)F)C(=O)[O-] ZINC001603612372 979486206 /nfs/dbraw/zinc/48/62/06/979486206.db2.gz SZVVHUFYJDJDSV-SSDOTTSWSA-N 1 2 238.278 1.059 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614706 979679311 /nfs/dbraw/zinc/67/93/11/979679311.db2.gz LANDZQDMBIVEJM-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614706 979679315 /nfs/dbraw/zinc/67/93/15/979679315.db2.gz LANDZQDMBIVEJM-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO CC1([NH2+]Cc2cc(C(=O)[O-])co2)CC[NH2+]CC1 ZINC001604598580 979684987 /nfs/dbraw/zinc/68/49/87/979684987.db2.gz XAWBWUIUINVNAJ-UHFFFAOYSA-N 1 2 238.287 1.210 20 0 BDADLO CSC[C@@H](C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001183217567 979778930 /nfs/dbraw/zinc/77/89/30/979778930.db2.gz SIAMSFVBIWYYLP-MRVPVSSYSA-N 1 2 241.360 1.376 20 0 BDADLO COCCOC1C[NH+](CC2OC=CC2=S)C1 ZINC001237187767 979836493 /nfs/dbraw/zinc/83/64/93/979836493.db2.gz QPXKMGRVUPXOHY-UHFFFAOYSA-N 1 2 243.328 1.416 20 0 BDADLO CCOC(=O)C1([NH2+]CCC(C)(C)O)CCCC1 ZINC001342613159 979841831 /nfs/dbraw/zinc/84/18/31/979841831.db2.gz BHGDFZQCLMRZSJ-UHFFFAOYSA-N 1 2 243.347 1.613 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001237651419 980002283 /nfs/dbraw/zinc/00/22/83/980002283.db2.gz LIEJWCBXTAYWBC-ONGXEEELSA-N 1 2 227.283 1.141 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001237651419 980002296 /nfs/dbraw/zinc/00/22/96/980002296.db2.gz LIEJWCBXTAYWBC-ONGXEEELSA-N 1 2 227.283 1.141 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CCC(O)(CC)CC1 ZINC001237653027 980012126 /nfs/dbraw/zinc/01/21/26/980012126.db2.gz AXEKCZWBIGECGC-UHFFFAOYSA-N 1 2 237.347 1.709 20 0 BDADLO CCc1n[nH]cc1C[N@H+](C)C1(C)COC1 ZINC001237660213 980018222 /nfs/dbraw/zinc/01/82/22/980018222.db2.gz XCMMWPKQCDGSJO-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](C)C1(C)COC1 ZINC001237660213 980018225 /nfs/dbraw/zinc/01/82/25/980018225.db2.gz XCMMWPKQCDGSJO-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)nc1 ZINC001237808429 980055638 /nfs/dbraw/zinc/05/56/38/980055638.db2.gz WXHLWWQPPTZFAA-MNOVXSKESA-N 1 2 203.289 1.769 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]3C[C@@H]32)nc1 ZINC001237808429 980055651 /nfs/dbraw/zinc/05/56/51/980055651.db2.gz WXHLWWQPPTZFAA-MNOVXSKESA-N 1 2 203.289 1.769 20 0 BDADLO C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]12 ZINC001607418903 980103542 /nfs/dbraw/zinc/10/35/42/980103542.db2.gz BOSPARSOMUNANO-PREPNJAASA-N 1 2 240.347 1.025 20 0 BDADLO COc1ccoc1C[NH+]1CCSCC1 ZINC001237868190 980106178 /nfs/dbraw/zinc/10/61/78/980106178.db2.gz KOGUUGUDZGVGAM-UHFFFAOYSA-N 1 2 213.302 1.837 20 0 BDADLO CC[NH+]1CC2(C1)CC[C@H](C(=O)NC(C)(C)C)O2 ZINC001278161875 980112843 /nfs/dbraw/zinc/11/28/43/980112843.db2.gz PPIFSUSFYBKMKN-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO COC1(C)C[NH+](Cc2ncc(C)cc2C)C1 ZINC001238426419 980245610 /nfs/dbraw/zinc/24/56/10/980245610.db2.gz LYSQAAWXDXBTNO-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1CC(F)(F)C1 ZINC001345995458 980726909 /nfs/dbraw/zinc/72/69/09/980726909.db2.gz AXDWQUCHKDECLZ-UHFFFAOYSA-N 1 2 244.241 1.992 20 0 BDADLO COC[C@@H]([NH2+]CC1=NOCC1)c1ccco1 ZINC001193224710 981271269 /nfs/dbraw/zinc/27/12/69/981271269.db2.gz MXXZSGNUSALRIB-SNVBAGLBSA-N 1 2 224.260 1.333 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NOC1CCCC1 ZINC001348203764 981308361 /nfs/dbraw/zinc/30/83/61/981308361.db2.gz WLTJMCATUIRHFC-UHFFFAOYSA-N 1 2 237.303 1.343 20 0 BDADLO C[C@@H](C(=O)NC1=NC[C@H](C)S1)n1cc[nH+]c1 ZINC001348979757 981490690 /nfs/dbraw/zinc/49/06/90/981490690.db2.gz ROPCPHLDRWHZSR-YUMQZZPRSA-N 1 2 238.316 1.052 20 0 BDADLO CO[C@H](C(=O)Nc1c(C)c[nH+]cc1C)C1CC1 ZINC001349791934 981745341 /nfs/dbraw/zinc/74/53/41/981745341.db2.gz QGTKDBKURZYTNT-LBPRGKRZSA-N 1 2 234.299 1.484 20 0 BDADLO CC[C@H](C)COC(=O)NCCc1[nH+]ccn1C ZINC001194839956 981930933 /nfs/dbraw/zinc/93/09/33/981930933.db2.gz XBKIASBSOVCIFF-JTQLQIEISA-N 1 2 239.319 1.735 20 0 BDADLO CC(C)CCOC(=O)NC1C[NH+](C)C1 ZINC001194894488 981960036 /nfs/dbraw/zinc/96/00/36/981960036.db2.gz YPDXLFQKAUZRTH-UHFFFAOYSA-N 1 2 200.282 1.073 20 0 BDADLO COC(C)(C)[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001351000447 982152984 /nfs/dbraw/zinc/15/29/84/982152984.db2.gz SKNSJFNPLMCSPL-UWVGGRQHSA-N 1 2 239.319 1.374 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001352998306 982659218 /nfs/dbraw/zinc/65/92/18/982659218.db2.gz MRLPSOGDPSSYIW-SGUJLRQBSA-N 1 2 219.288 1.693 20 0 BDADLO CNC(=S)Nc1cccc2[nH+]ccn21 ZINC001200595301 983094498 /nfs/dbraw/zinc/09/44/98/983094498.db2.gz DXLURYZIZCYTCC-UHFFFAOYSA-N 1 2 206.274 1.251 20 0 BDADLO COC1(C)CN(c2cc(F)cc(C)[nH+]2)C1 ZINC001354139682 983172318 /nfs/dbraw/zinc/17/23/18/983172318.db2.gz IMPXSHFSRUGYPW-UHFFFAOYSA-N 1 2 210.252 1.754 20 0 BDADLO Cc1cnc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201272367 983173011 /nfs/dbraw/zinc/17/30/11/983173011.db2.gz LOLKTHYJZWNRIT-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO CCN(CCOCCO)c1cc(F)cc(C)[nH+]1 ZINC001354189020 983187613 /nfs/dbraw/zinc/18/76/13/983187613.db2.gz SKLMRRJPKFOAOM-UHFFFAOYSA-N 1 2 242.294 1.364 20 0 BDADLO CN(C)C(=O)CSCCCn1cc[nH+]c1 ZINC001473046026 983651086 /nfs/dbraw/zinc/65/10/86/983651086.db2.gz HJMRZCPLUYWUOO-UHFFFAOYSA-N 1 2 227.333 1.095 20 0 BDADLO Cc1csc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC001137157196 983997648 /nfs/dbraw/zinc/99/76/48/983997648.db2.gz OTQGBXPZRMHXHB-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1csc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC001137157196 983997661 /nfs/dbraw/zinc/99/76/61/983997661.db2.gz OTQGBXPZRMHXHB-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO CCN1CC[N@H+](Cc2cc(C)cs2)CC1=O ZINC001137158099 984004446 /nfs/dbraw/zinc/00/44/46/984004446.db2.gz DIJOFYLSQOHUCV-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CCN1CC[N@@H+](Cc2cc(C)cs2)CC1=O ZINC001137158099 984004457 /nfs/dbraw/zinc/00/44/57/984004457.db2.gz DIJOFYLSQOHUCV-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO Cc1c(O)cccc1C[NH+]1CC(C)(O)C1 ZINC001144107107 972602177 /nfs/dbraw/zinc/60/21/77/972602177.db2.gz GPYHXGQDWCSWGM-UHFFFAOYSA-N 1 2 207.273 1.267 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001276834302 972668265 /nfs/dbraw/zinc/66/82/65/972668265.db2.gz KJTABJLIWSANPR-WDEREUQCSA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001276834302 972668273 /nfs/dbraw/zinc/66/82/73/972668273.db2.gz KJTABJLIWSANPR-WDEREUQCSA-N 1 2 230.327 1.583 20 0 BDADLO Cc1nnc(COC2C[NH+](C(C)(C)C)C2)s1 ZINC001223346401 972993743 /nfs/dbraw/zinc/99/37/43/972993743.db2.gz ZUFZXEJLYVUGEH-UHFFFAOYSA-N 1 2 241.360 1.846 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](CC)OC)C1CC1 ZINC001328621047 973200572 /nfs/dbraw/zinc/20/05/72/973200572.db2.gz UPHJYWBPUHRJLM-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO CN1CCC12C[NH+](CCc1ccccc1F)C2 ZINC001276725656 970801690 /nfs/dbraw/zinc/80/16/90/970801690.db2.gz DZGVOOMCXSPKHR-UHFFFAOYSA-N 1 2 234.318 1.758 20 0 BDADLO COC(C)(CNc1ccc(N(C)C)c[nH+]1)OC ZINC001170435936 970815299 /nfs/dbraw/zinc/81/52/99/970815299.db2.gz XSBKWFORAPCWNJ-UHFFFAOYSA-N 1 2 239.319 1.569 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256416454 970823062 /nfs/dbraw/zinc/82/30/62/970823062.db2.gz BUTZOXTZQILZAV-WDEREUQCSA-N 1 2 236.315 1.506 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256416454 970823065 /nfs/dbraw/zinc/82/30/65/970823065.db2.gz BUTZOXTZQILZAV-WDEREUQCSA-N 1 2 236.315 1.506 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccccn2)CCO1 ZINC001256423113 970829814 /nfs/dbraw/zinc/82/98/14/970829814.db2.gz DPZQFQCKRKFPCW-SMDDNHRTSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccccn2)CCO1 ZINC001256423113 970829818 /nfs/dbraw/zinc/82/98/18/970829818.db2.gz DPZQFQCKRKFPCW-SMDDNHRTSA-N 1 2 248.326 1.302 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256427426 970834994 /nfs/dbraw/zinc/83/49/94/970834994.db2.gz WQACUYWWPBKNIW-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256427426 970835000 /nfs/dbraw/zinc/83/50/00/970835000.db2.gz WQACUYWWPBKNIW-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1cccnc1 ZINC001256566678 970863990 /nfs/dbraw/zinc/86/39/90/970863990.db2.gz FZIVPMOUIFLPLR-SNVBAGLBSA-N 1 2 249.293 1.493 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256634673 970897741 /nfs/dbraw/zinc/89/77/41/970897741.db2.gz NREZCORMVKTKRX-NSHDSACASA-N 1 2 249.310 1.315 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(CCn2cc[nH+]c2)o1 ZINC001256658019 970905966 /nfs/dbraw/zinc/90/59/66/970905966.db2.gz NQSFFLMSUIKVKA-DTWKUNHWSA-N 1 2 218.260 1.632 20 0 BDADLO COc1cc(Nc2[nH+]cccc2N)ccc1CO ZINC001216111016 970943380 /nfs/dbraw/zinc/94/33/80/970943380.db2.gz NVWORRSWTMCIGU-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)Cc2ccncc2)no1 ZINC001256735617 970965218 /nfs/dbraw/zinc/96/52/18/970965218.db2.gz HSUIIRUYJHODGD-JTQLQIEISA-N 1 2 246.314 1.836 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)Cc2ccncc2)no1 ZINC001256735617 970965226 /nfs/dbraw/zinc/96/52/26/970965226.db2.gz HSUIIRUYJHODGD-JTQLQIEISA-N 1 2 246.314 1.836 20 0 BDADLO C[C@@H](Cc1ccncc1)[NH+]1CCC(=O)CC1 ZINC001256737013 970970616 /nfs/dbraw/zinc/97/06/16/970970616.db2.gz VWKIXRUXHAKLOQ-NSHDSACASA-N 1 2 218.300 1.678 20 0 BDADLO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC(=O)CC2)C1 ZINC001257053427 971081781 /nfs/dbraw/zinc/08/17/81/971081781.db2.gz WZYCUQJTYDGZCN-QWRGUYRKSA-N 1 2 239.315 1.383 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(\C)C(=O)OC)[C@H](C)CO1 ZINC000403914890 971088822 /nfs/dbraw/zinc/08/88/22/971088822.db2.gz CFJNSHUZPVRBHR-QEFZOKHDSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)OC)[C@H](C)CO1 ZINC000403914890 971088829 /nfs/dbraw/zinc/08/88/29/971088829.db2.gz CFJNSHUZPVRBHR-QEFZOKHDSA-N 1 2 241.331 1.605 20 0 BDADLO CCC[C@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257255138 971151756 /nfs/dbraw/zinc/15/17/56/971151756.db2.gz YRJMOGJLTCIRLH-CMPLNLGQSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@]1(F)CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001170547624 971151819 /nfs/dbraw/zinc/15/18/19/971151819.db2.gz AZBWLNDZGRNBPB-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO C[C@]1(F)CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001170547624 971151825 /nfs/dbraw/zinc/15/18/25/971151825.db2.gz AZBWLNDZGRNBPB-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO CCC[C@H](CC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001257264381 971164422 /nfs/dbraw/zinc/16/44/22/971164422.db2.gz LKVOPCTXMVKZMK-VIFPVBQESA-N 1 2 219.350 1.294 20 0 BDADLO CCn1cc(C[NH2+]C/C=C\Cl)nn1 ZINC000404513219 971170920 /nfs/dbraw/zinc/17/09/20/971170920.db2.gz SKTQHJXKHZTZKC-ARJAWSKDSA-N 1 2 200.673 1.140 20 0 BDADLO Cc1ccc(C[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000405619733 971281227 /nfs/dbraw/zinc/28/12/27/971281227.db2.gz JIROUFNOFONQOR-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO CC(C)(C)OC(=O)[C@H](CO)[NH2+]C1CCCCC1 ZINC001257451850 971371139 /nfs/dbraw/zinc/37/11/39/971371139.db2.gz XVYSDFOJTHCEQJ-NSHDSACASA-N 1 2 243.347 1.611 20 0 BDADLO COC(=O)C[C@H]([NH2+]C1CCCCC1)C(=O)OC ZINC001257449871 971369916 /nfs/dbraw/zinc/36/99/16/971369916.db2.gz FKFWQVDXXWGKOG-JTQLQIEISA-N 1 2 243.303 1.013 20 0 BDADLO COc1ncc(-c2ccc[nH+]c2N)cc1O ZINC001244847708 971457427 /nfs/dbraw/zinc/45/74/27/971457427.db2.gz ZAQAPZHQBZKCHT-UHFFFAOYSA-N 1 2 217.228 1.440 20 0 BDADLO Cc1cc(COC[C@H]2C[C@H](O)C2)cc(C)[nH+]1 ZINC001217919363 971519708 /nfs/dbraw/zinc/51/97/08/971519708.db2.gz LMHFTIXRBSENBQ-JOCQHMNTSA-N 1 2 221.300 1.986 20 0 BDADLO Cc1cc(COC[C@H]2C[C@@H](O)C2)cc(C)[nH+]1 ZINC001217920457 971523711 /nfs/dbraw/zinc/52/37/11/971523711.db2.gz LMHFTIXRBSENBQ-BETUJISGSA-N 1 2 221.300 1.986 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1ccoc1 ZINC001133456111 971541567 /nfs/dbraw/zinc/54/15/67/971541567.db2.gz QDXGDBCFHPLGQW-UHFFFAOYSA-N 1 2 230.267 1.895 20 0 BDADLO Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)nc1 ZINC001218006490 971570515 /nfs/dbraw/zinc/57/05/15/971570515.db2.gz LQQIDTKPFMIFHS-QMMMGPOBSA-N 1 2 229.230 1.040 20 0 BDADLO C[NH+](C)Cc1nnc(C2CC(F)(F)C2)o1 ZINC001327304538 972535731 /nfs/dbraw/zinc/53/57/31/972535731.db2.gz JPHGYXLSGILSHQ-UHFFFAOYSA-N 1 2 217.219 1.644 20 0 BDADLO O=C1CC[C@@H]2C[C@H]([NH2+][C@H]3CC3(F)F)CCN12 ZINC001172154364 974415064 /nfs/dbraw/zinc/41/50/64/974415064.db2.gz OHTGBFRJORPROB-HLTSFMKQSA-N 1 2 230.258 1.137 20 0 BDADLO Cc1cncc(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001225479923 974518444 /nfs/dbraw/zinc/51/84/44/974518444.db2.gz FCEQCJJRVJBOFF-LBPRGKRZSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1cncc(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001225479923 974518454 /nfs/dbraw/zinc/51/84/54/974518454.db2.gz FCEQCJJRVJBOFF-LBPRGKRZSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)cc(=O)o1 ZINC001245539737 971854524 /nfs/dbraw/zinc/85/45/24/971854524.db2.gz PAIRUTIZUYBJTI-UHFFFAOYSA-N 1 2 216.240 1.901 20 0 BDADLO CCC(CC)([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC001172279540 974539555 /nfs/dbraw/zinc/53/95/55/974539555.db2.gz IIYMSFGYEHGBNI-SNVBAGLBSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]([NH3+])c1ncc(C(=O)Nc2cnoc2)s1 ZINC001218574819 971875699 /nfs/dbraw/zinc/87/56/99/971875699.db2.gz VIKFBMMDMDHQBF-RXMQYKEDSA-N 1 2 238.272 1.403 20 0 BDADLO FC1(F)COCC[N@@H+]([C@H]2CCCOCC2)C1 ZINC001170809788 971877866 /nfs/dbraw/zinc/87/78/66/971877866.db2.gz UGOBXDHVJCNCFX-JTQLQIEISA-N 1 2 235.274 1.523 20 0 BDADLO FC1(F)COCC[N@H+]([C@H]2CCCOCC2)C1 ZINC001170809788 971877867 /nfs/dbraw/zinc/87/78/67/971877867.db2.gz UGOBXDHVJCNCFX-JTQLQIEISA-N 1 2 235.274 1.523 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]1C(=O)OC ZINC001172332568 974596341 /nfs/dbraw/zinc/59/63/41/974596341.db2.gz UDSLHHRSAHWDOF-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@H]1C(=O)OC ZINC001172332568 974596346 /nfs/dbraw/zinc/59/63/46/974596346.db2.gz UDSLHHRSAHWDOF-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1COCC[NH2+]1 ZINC001218942555 971968416 /nfs/dbraw/zinc/96/84/16/971968416.db2.gz NODVCMHFKVSIIT-LBPRGKRZSA-N 1 2 245.282 1.095 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1ccc(N(C)C)c[nH+]1 ZINC000192630692 972157556 /nfs/dbraw/zinc/15/75/56/972157556.db2.gz KGVHJQYPEHCJBB-PWSUYJOCSA-N 1 2 235.331 1.985 20 0 BDADLO CCC1(NC(=O)C2(F)C[NH2+]C2)CCCCC1 ZINC001220337073 972210824 /nfs/dbraw/zinc/21/08/24/972210824.db2.gz KQEKNNMMUQBIQY-UHFFFAOYSA-N 1 2 228.311 1.527 20 0 BDADLO C[N@H+](Cc1ccncn1)Cc1cc(F)ccc1N ZINC000396606582 957063376 /nfs/dbraw/zinc/06/33/76/957063376.db2.gz ZJGVWGIJTKBNGJ-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[N@@H+](Cc1ccncn1)Cc1cc(F)ccc1N ZINC000396606582 957063388 /nfs/dbraw/zinc/06/33/88/957063388.db2.gz ZJGVWGIJTKBNGJ-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cscn1 ZINC000705335098 957126163 /nfs/dbraw/zinc/12/61/63/957126163.db2.gz IZUNRPGYMDNBQX-PSASIEDQSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cscn1 ZINC000705335098 957126183 /nfs/dbraw/zinc/12/61/83/957126183.db2.gz IZUNRPGYMDNBQX-PSASIEDQSA-N 1 2 212.318 1.488 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccccn2)C1 ZINC001204055534 972254388 /nfs/dbraw/zinc/25/43/88/972254388.db2.gz HOFSBCZWGUBYCL-MNOVXSKESA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccccn2)C1 ZINC001204055534 972254390 /nfs/dbraw/zinc/25/43/90/972254390.db2.gz HOFSBCZWGUBYCL-MNOVXSKESA-N 1 2 224.279 1.234 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425914 957446683 /nfs/dbraw/zinc/44/66/83/957446683.db2.gz GUQFYAIYXRCADR-VXGBXAGGSA-N 1 2 245.326 1.386 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425914 957446697 /nfs/dbraw/zinc/44/66/97/957446697.db2.gz GUQFYAIYXRCADR-VXGBXAGGSA-N 1 2 245.326 1.386 20 0 BDADLO COc1ccc(C[NH+]2CC3(C2)CCCO3)cc1N ZINC000705746717 957459411 /nfs/dbraw/zinc/45/94/11/957459411.db2.gz OBTYQXOMKNDVEN-UHFFFAOYSA-N 1 2 248.326 1.642 20 0 BDADLO Cc1[nH+]cc(Nc2cccc(CO)n2)cc1N ZINC001210286757 957715310 /nfs/dbraw/zinc/71/53/10/957715310.db2.gz BHABRYDDONGQGU-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000693217037 957939958 /nfs/dbraw/zinc/93/99/58/957939958.db2.gz NLPUUBQLFJTZFQ-ZWNOBZJWSA-N 1 2 233.315 1.915 20 0 BDADLO Cc1ccc2c(C[N@@H+]3CCNC(=O)C3)c[nH]c2c1 ZINC001136967839 972307676 /nfs/dbraw/zinc/30/76/76/972307676.db2.gz UZZHJKOTQSJEFD-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO Cc1ccc2c(C[N@H+]3CCNC(=O)C3)c[nH]c2c1 ZINC001136967839 972307679 /nfs/dbraw/zinc/30/76/79/972307679.db2.gz UZZHJKOTQSJEFD-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO c1n[nH]c2c1[C@@H]([NH2+]CCOC1CCC1)CCC2 ZINC000690707402 958222752 /nfs/dbraw/zinc/22/27/52/958222752.db2.gz SEPZGAGEIIPVKZ-LBPRGKRZSA-N 1 2 235.331 1.946 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001137022172 972331103 /nfs/dbraw/zinc/33/11/03/972331103.db2.gz UHIXYPUWRWOWLV-UHFFFAOYSA-N 1 2 233.311 1.938 20 0 BDADLO FC1(F)C[NH2+]C[C@H]1NC1CCCCCC1 ZINC001246464680 972339694 /nfs/dbraw/zinc/33/96/94/972339694.db2.gz SLJCAPICPHGHTH-SNVBAGLBSA-N 1 2 218.291 1.906 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041207 972339981 /nfs/dbraw/zinc/33/99/81/972339981.db2.gz RHXJSNJYMJYGMW-JOYOIKCWSA-N 1 2 235.262 1.078 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041207 972339984 /nfs/dbraw/zinc/33/99/84/972339984.db2.gz RHXJSNJYMJYGMW-JOYOIKCWSA-N 1 2 235.262 1.078 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041207 972339988 /nfs/dbraw/zinc/33/99/88/972339988.db2.gz RHXJSNJYMJYGMW-JOYOIKCWSA-N 1 2 235.262 1.078 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041207 972339991 /nfs/dbraw/zinc/33/99/91/972339991.db2.gz RHXJSNJYMJYGMW-JOYOIKCWSA-N 1 2 235.262 1.078 20 0 BDADLO OCC1C[NH+](Cc2ccc(Cl)s2)C1 ZINC000084988686 958519443 /nfs/dbraw/zinc/51/94/43/958519443.db2.gz IIQLYANPICOSJG-UHFFFAOYSA-N 1 2 217.721 1.826 20 0 BDADLO CO[C@H](C)CCC(=O)Nc1c(C)c[nH+]cc1C ZINC001349793404 958814520 /nfs/dbraw/zinc/81/45/20/958814520.db2.gz YTZKWYAAYBCYAO-LLVKDONJSA-N 1 2 236.315 1.874 20 0 BDADLO COC(C[C@@H](C)OCCn1cc[nH+]c1)OC ZINC001222134474 972383597 /nfs/dbraw/zinc/38/35/97/972383597.db2.gz DEHGWVNNFYPHNF-SNVBAGLBSA-N 1 2 228.292 1.297 20 0 BDADLO c1cn(CCOC[C@@H]2CCC=CO2)c[nH+]1 ZINC001222135154 972383250 /nfs/dbraw/zinc/38/32/50/972383250.db2.gz WQAUSVXPEPRSJB-NSHDSACASA-N 1 2 208.261 1.592 20 0 BDADLO c1cn(CCO[C@@H]2C[C@H]3C=C[C@@H]2C3)c[nH+]1 ZINC001222134522 972384571 /nfs/dbraw/zinc/38/45/71/972384571.db2.gz FSAUQNKDYYHGHZ-QJPTWQEYSA-N 1 2 204.273 1.864 20 0 BDADLO O=C1CCCC[C@H]1OCCn1cc[nH+]c1 ZINC001222138249 972388945 /nfs/dbraw/zinc/38/89/45/972388945.db2.gz CKKMPBABCJDKGV-LLVKDONJSA-N 1 2 208.261 1.411 20 0 BDADLO CO[C@H](C)CO[C@@H](C)COCCn1cc[nH+]c1 ZINC001222138296 972390109 /nfs/dbraw/zinc/39/01/09/972390109.db2.gz DTBYGHXVZWOFIH-NEPJUHHUSA-N 1 2 242.319 1.340 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000307130131 959047288 /nfs/dbraw/zinc/04/72/88/959047288.db2.gz QVWNWRFWUSZCFV-NSHDSACASA-N 1 2 207.277 1.353 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000307130131 959047310 /nfs/dbraw/zinc/04/73/10/959047310.db2.gz QVWNWRFWUSZCFV-NSHDSACASA-N 1 2 207.277 1.353 20 0 BDADLO COc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167615845 959074567 /nfs/dbraw/zinc/07/45/67/959074567.db2.gz YAPVYFJJEFQJFY-UHFFFAOYSA-N 1 2 230.271 1.680 20 0 BDADLO COc1cnc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167615649 959081884 /nfs/dbraw/zinc/08/18/84/959081884.db2.gz VLFMIVIQWXLDJL-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Nc1cc(CNc2ccc3c(n2)COC3)cc[nH+]1 ZINC001167616661 959083053 /nfs/dbraw/zinc/08/30/53/959083053.db2.gz DQAHSQPHENVYMO-UHFFFAOYSA-N 1 2 242.282 1.701 20 0 BDADLO Cc1ccncc1NCc1cc[nH+]c(N)c1 ZINC001167617105 959085828 /nfs/dbraw/zinc/08/58/28/959085828.db2.gz HBHGDIUACREWJT-UHFFFAOYSA-N 1 2 214.272 1.979 20 0 BDADLO Nc1cc(CNc2ncncc2F)cc[nH+]1 ZINC001167618696 959092529 /nfs/dbraw/zinc/09/25/29/959092529.db2.gz MPPLLPNOHNCRAC-UHFFFAOYSA-N 1 2 219.223 1.205 20 0 BDADLO C[C@@H]1CCN(c2cc(N)cc(Cl)[nH+]2)C[C@H]1O ZINC000300332745 959175841 /nfs/dbraw/zinc/17/58/41/959175841.db2.gz MLRDEQNDIXPEBS-VXNVDRBHSA-N 1 2 241.722 1.524 20 0 BDADLO C/C=C(\CC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000588568947 959249380 /nfs/dbraw/zinc/24/93/80/959249380.db2.gz OALBQVOWKFLAEW-DWGGBAKOSA-N 1 2 241.331 1.607 20 0 BDADLO CCC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001143960035 972430744 /nfs/dbraw/zinc/43/07/44/972430744.db2.gz KMQBFFWCYZHBMS-VIFPVBQESA-N 1 2 235.287 1.095 20 0 BDADLO Cc1cc(C[NH+]2CCN(C)CC2)c(C)o1 ZINC000156367132 959832818 /nfs/dbraw/zinc/83/28/18/959832818.db2.gz ZGKVGSZPLAWJCF-UHFFFAOYSA-N 1 2 208.305 1.644 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@]1(F)CCOC1 ZINC001327163250 972475870 /nfs/dbraw/zinc/47/58/70/972475870.db2.gz BIZRQGBPADQHHN-GFCCVEGCSA-N 1 2 249.245 1.401 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)C(F)F ZINC000694817766 960006148 /nfs/dbraw/zinc/00/61/48/960006148.db2.gz IPMMLZGJEWREGM-JGVFFNPUSA-N 1 2 241.303 1.197 20 0 BDADLO Cc1ccc2nc(=O)[nH]c(O[C@@H]3C[NH2+][C@@H]3C)c2c1 ZINC001218383045 960021585 /nfs/dbraw/zinc/02/15/85/960021585.db2.gz MEVRBEOIYXTFHM-LDYMZIIASA-N 1 2 245.282 1.383 20 0 BDADLO CC(C)SCC(=O)NC1C[NH+](CCCF)C1 ZINC001267637743 960155733 /nfs/dbraw/zinc/15/57/33/960155733.db2.gz ZFONHLWGZOAUJZ-UHFFFAOYSA-N 1 2 248.367 1.288 20 0 BDADLO C[C@H]1CC[N@H+](Cc2csnn2)CC[C@@H]1O ZINC001140992795 960164179 /nfs/dbraw/zinc/16/41/79/960164179.db2.gz XYJITCDPIOJYGH-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2csnn2)CC[C@@H]1O ZINC001140992795 960164180 /nfs/dbraw/zinc/16/41/80/960164180.db2.gz XYJITCDPIOJYGH-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000709059061 960241237 /nfs/dbraw/zinc/24/12/37/960241237.db2.gz FLRRVYIDPAFEQR-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000709059061 960241241 /nfs/dbraw/zinc/24/12/41/960241241.db2.gz FLRRVYIDPAFEQR-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO Cc1cc(CO[C@@H](C)C[NH+]2CCOCC2)on1 ZINC001222444526 972489891 /nfs/dbraw/zinc/48/98/91/972489891.db2.gz ZNWDZGJGUMHOMK-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO Cc1cc(C[NH+]2CCN(C#N)CC2)ccc1O ZINC001140579813 960441485 /nfs/dbraw/zinc/44/14/85/960441485.db2.gz HYRKEFFPVYLPRQ-UHFFFAOYSA-N 1 2 231.299 1.299 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(C)c1 ZINC001140677769 960483598 /nfs/dbraw/zinc/48/35/98/960483598.db2.gz YTDZGVDSXXYAHM-KGLIPLIRSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(C)c1 ZINC001140677769 960483610 /nfs/dbraw/zinc/48/36/10/960483610.db2.gz YTDZGVDSXXYAHM-KGLIPLIRSA-N 1 2 233.311 1.977 20 0 BDADLO CNc1cc(N[C@@H]2CS[C@H](C)C2)nc[nH+]1 ZINC000397826137 960518946 /nfs/dbraw/zinc/51/89/46/960518946.db2.gz BAXWCMUUQMRMHO-SFYZADRCSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@@H]2CS[C@H](C)C2)[nH+]cn1 ZINC000397826137 960518958 /nfs/dbraw/zinc/51/89/58/960518958.db2.gz BAXWCMUUQMRMHO-SFYZADRCSA-N 1 2 224.333 1.824 20 0 BDADLO Cn1cnc2ccc(C[N@@H+]3CCC34COC4)cc21 ZINC001140745856 960550611 /nfs/dbraw/zinc/55/06/11/960550611.db2.gz DFZRQQYGNKVHSI-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO Cn1cnc2ccc(C[N@H+]3CCC34COC4)cc21 ZINC001140745856 960550622 /nfs/dbraw/zinc/55/06/22/960550622.db2.gz DFZRQQYGNKVHSI-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c1C ZINC001140862834 960644208 /nfs/dbraw/zinc/64/42/08/960644208.db2.gz OILOPJXBSNXPEV-LBPRGKRZSA-N 1 2 247.342 1.438 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c1C ZINC001140862834 960644220 /nfs/dbraw/zinc/64/42/20/960644220.db2.gz OILOPJXBSNXPEV-LBPRGKRZSA-N 1 2 247.342 1.438 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)n[nH]1 ZINC001203073128 960653294 /nfs/dbraw/zinc/65/32/94/960653294.db2.gz XLWIJUSYGDNYDC-ZDUSSCGKSA-N 1 2 235.331 1.721 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)n[nH]1 ZINC001203073128 960653300 /nfs/dbraw/zinc/65/33/00/960653300.db2.gz XLWIJUSYGDNYDC-ZDUSSCGKSA-N 1 2 235.331 1.721 20 0 BDADLO CCn1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cn1 ZINC001327253214 972521919 /nfs/dbraw/zinc/52/19/19/972521919.db2.gz DKINBIHDURXTEK-KOLCDFICSA-N 1 2 246.318 1.290 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CC3)cc1N ZINC001140901154 960680730 /nfs/dbraw/zinc/68/07/30/960680730.db2.gz FTNSQBFOKKEISQ-UHFFFAOYSA-N 1 2 248.326 1.642 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CC3)cc1N ZINC001140901154 960680733 /nfs/dbraw/zinc/68/07/33/960680733.db2.gz FTNSQBFOKKEISQ-UHFFFAOYSA-N 1 2 248.326 1.642 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3nn(C)cc3C2)n[nH]1 ZINC001203077230 960689036 /nfs/dbraw/zinc/68/90/36/960689036.db2.gz TZRNNGYFEMFIFT-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cc(C[N@H+]2CCc3nn(C)cc3C2)n[nH]1 ZINC001203077230 960689043 /nfs/dbraw/zinc/68/90/43/960689043.db2.gz TZRNNGYFEMFIFT-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cnco1 ZINC001140932580 960713704 /nfs/dbraw/zinc/71/37/04/960713704.db2.gz SZJZNFZIRTYIMR-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cnco1 ZINC001140932580 960713719 /nfs/dbraw/zinc/71/37/19/960713719.db2.gz SZJZNFZIRTYIMR-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)c(O)c(F)c2)C[C@@H]1O ZINC001140987739 960783984 /nfs/dbraw/zinc/78/39/84/960783984.db2.gz BNRNWJLIJHCRKU-CPCISQLKSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)c(O)c(F)c2)C[C@@H]1O ZINC001140987739 960783999 /nfs/dbraw/zinc/78/39/99/960783999.db2.gz BNRNWJLIJHCRKU-CPCISQLKSA-N 1 2 243.253 1.483 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1ncco1 ZINC001141005749 960806395 /nfs/dbraw/zinc/80/63/95/960806395.db2.gz SPRHHKBQODLVOJ-UHFFFAOYSA-N 1 2 217.272 1.744 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1ncco1 ZINC001141005749 960806396 /nfs/dbraw/zinc/80/63/96/960806396.db2.gz SPRHHKBQODLVOJ-UHFFFAOYSA-N 1 2 217.272 1.744 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2ncco2)C1 ZINC001141008657 960808177 /nfs/dbraw/zinc/80/81/77/960808177.db2.gz HPNGDKVIGRKGHH-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC001141008657 960808183 /nfs/dbraw/zinc/80/81/83/960808183.db2.gz HPNGDKVIGRKGHH-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO c1coc(C[N@@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001141007495 960809577 /nfs/dbraw/zinc/80/95/77/960809577.db2.gz OXYIJBAOOZJQMD-NSHDSACASA-N 1 2 208.261 1.430 20 0 BDADLO c1coc(C[N@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001141007495 960809579 /nfs/dbraw/zinc/80/95/79/960809579.db2.gz OXYIJBAOOZJQMD-NSHDSACASA-N 1 2 208.261 1.430 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1ncco1 ZINC001141010930 960813499 /nfs/dbraw/zinc/81/34/99/960813499.db2.gz MBPOBAFXMCBURF-UHFFFAOYSA-N 1 2 220.276 1.393 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1ncco1 ZINC001141010930 960813501 /nfs/dbraw/zinc/81/35/01/960813501.db2.gz MBPOBAFXMCBURF-UHFFFAOYSA-N 1 2 220.276 1.393 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn3ccnc3c2)CCO1 ZINC001141047009 960832542 /nfs/dbraw/zinc/83/25/42/960832542.db2.gz CSWLHNQBJBVBSY-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn3ccnc3c2)CCO1 ZINC001141047009 960832554 /nfs/dbraw/zinc/83/25/54/960832554.db2.gz CSWLHNQBJBVBSY-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)CCO1 ZINC001141047009 960832561 /nfs/dbraw/zinc/83/25/61/960832561.db2.gz CSWLHNQBJBVBSY-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001141051613 960840401 /nfs/dbraw/zinc/84/04/01/960840401.db2.gz IRAMPEOBJDFNSN-GUBZILKMSA-N 1 2 210.252 1.773 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001141051613 960840407 /nfs/dbraw/zinc/84/04/07/960840407.db2.gz IRAMPEOBJDFNSN-GUBZILKMSA-N 1 2 210.252 1.773 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001141051597 960840756 /nfs/dbraw/zinc/84/07/56/960840756.db2.gz HVEHBUWVRCRGJO-NXEZZACHSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001141051597 960840761 /nfs/dbraw/zinc/84/07/61/960840761.db2.gz HVEHBUWVRCRGJO-NXEZZACHSA-N 1 2 228.267 1.135 20 0 BDADLO c1cn2ccc(CN3CCO[C@@H]4C[C@@H]43)cc2[nH+]1 ZINC001141049340 960843332 /nfs/dbraw/zinc/84/33/32/960843332.db2.gz DOOILJDQUYGARW-NWDGAFQWSA-N 1 2 229.283 1.307 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ocnc2C)C[C@@H]1C ZINC001141054026 960848844 /nfs/dbraw/zinc/84/88/44/960848844.db2.gz XGFDPFLJBBTFKP-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ocnc2C)C[C@@H]1C ZINC001141054026 960848854 /nfs/dbraw/zinc/84/88/54/960848854.db2.gz XGFDPFLJBBTFKP-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO CCCCc1[nH]cc(CN2CC(F)C2)[nH+]1 ZINC001141067137 960855418 /nfs/dbraw/zinc/85/54/18/960855418.db2.gz TYVHMSNMQFXGKG-UHFFFAOYSA-N 1 2 211.284 1.906 20 0 BDADLO CCCCc1[nH]c(CN2CC(F)C2)c[nH+]1 ZINC001141067137 960855396 /nfs/dbraw/zinc/85/53/96/960855396.db2.gz TYVHMSNMQFXGKG-UHFFFAOYSA-N 1 2 211.284 1.906 20 0 BDADLO CCCCc1[nH]c(CN2CC(C)(OC)C2)c[nH+]1 ZINC001141067944 960860690 /nfs/dbraw/zinc/86/06/90/960860690.db2.gz SLUBSOQZMMMXPA-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]cc(CN2CC(C)(OC)C2)[nH+]1 ZINC001141067944 960860692 /nfs/dbraw/zinc/86/06/92/960860692.db2.gz SLUBSOQZMMMXPA-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]c(CN2CCC23COC3)c[nH+]1 ZINC001141072148 960862312 /nfs/dbraw/zinc/86/23/12/960862312.db2.gz PUIVAXYFKCTZAO-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO CCCCc1[nH]cc(CN2CCC23COC3)[nH+]1 ZINC001141072148 960862343 /nfs/dbraw/zinc/86/23/43/960862343.db2.gz PUIVAXYFKCTZAO-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@]3(CCO3)C2)co1 ZINC001141129279 960874993 /nfs/dbraw/zinc/87/49/93/960874993.db2.gz DKSBRPDNPFDSMN-LLVKDONJSA-N 1 2 208.261 1.430 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@]3(CCO3)C2)co1 ZINC001141129279 960875002 /nfs/dbraw/zinc/87/50/02/960875002.db2.gz DKSBRPDNPFDSMN-LLVKDONJSA-N 1 2 208.261 1.430 20 0 BDADLO O[C@H](C[N@@H+]1CC[C@H](F)C1)c1ccccc1F ZINC000689818333 960914125 /nfs/dbraw/zinc/91/41/25/960914125.db2.gz QPPCFILYZSYYNI-JOYOIKCWSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@H](C[N@H+]1CC[C@H](F)C1)c1ccccc1F ZINC000689818333 960914180 /nfs/dbraw/zinc/91/41/80/960914180.db2.gz QPPCFILYZSYYNI-JOYOIKCWSA-N 1 2 227.254 1.903 20 0 BDADLO COC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001141257365 961028556 /nfs/dbraw/zinc/02/85/56/961028556.db2.gz BKJXWRRRXPHVFC-UHFFFAOYSA-N 1 2 220.316 1.583 20 0 BDADLO NC(=O)c1cc(NC=[NH2+])nc2ccccc21 ZINC001167863834 961327299 /nfs/dbraw/zinc/32/72/99/961327299.db2.gz GPDVGSDAPRKTLJ-UHFFFAOYSA-N 1 2 214.228 1.353 20 0 BDADLO CC/C=C(\C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001142671937 961579998 /nfs/dbraw/zinc/57/99/98/961579998.db2.gz UBBNBEZPNYSINT-BJMVGYQFSA-N 1 2 221.304 1.435 20 0 BDADLO COC[C@H]([NH3+])c1nc(CCC(F)(F)F)no1 ZINC000088001242 961785981 /nfs/dbraw/zinc/78/59/81/961785981.db2.gz UAJPBGGGONEMPQ-YFKPBYRVSA-N 1 2 239.197 1.211 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)C[C@@H]1O ZINC000230236262 961793778 /nfs/dbraw/zinc/79/37/78/961793778.db2.gz CQMAJWHEXWQAJZ-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C[C@@H]1O ZINC000230236262 961793789 /nfs/dbraw/zinc/79/37/89/961793789.db2.gz CQMAJWHEXWQAJZ-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc2nccn2c1 ZINC001143018505 961863859 /nfs/dbraw/zinc/86/38/59/961863859.db2.gz LBSWIKXQVFOTCD-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc2nccn2c1 ZINC001143018505 961863866 /nfs/dbraw/zinc/86/38/66/961863866.db2.gz LBSWIKXQVFOTCD-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c(N)n1 ZINC001143194783 961922240 /nfs/dbraw/zinc/92/22/40/961922240.db2.gz KTPAERQWKGBUJH-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)c(N)n1 ZINC001143194783 961922278 /nfs/dbraw/zinc/92/22/78/961922278.db2.gz KTPAERQWKGBUJH-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(N)n1 ZINC001143197033 961930397 /nfs/dbraw/zinc/93/03/97/961930397.db2.gz GHRLUSQFAZKALV-SDDRHHMPSA-N 1 2 235.306 1.762 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(N)n1 ZINC001143197033 961930430 /nfs/dbraw/zinc/93/04/30/961930430.db2.gz GHRLUSQFAZKALV-SDDRHHMPSA-N 1 2 235.306 1.762 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c(N)n1 ZINC001143196416 961933451 /nfs/dbraw/zinc/93/34/51/961933451.db2.gz AKIBZZRNZNDLRC-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c(N)n1 ZINC001143196416 961933467 /nfs/dbraw/zinc/93/34/67/961933467.db2.gz AKIBZZRNZNDLRC-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(C)Cc1nccs1 ZINC001149240701 962052625 /nfs/dbraw/zinc/05/26/25/962052625.db2.gz BPXZXFLOCZAFNQ-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(C)Cc1nccs1 ZINC001149240701 962052631 /nfs/dbraw/zinc/05/26/31/962052631.db2.gz BPXZXFLOCZAFNQ-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO FC1(F)CC[C@@H]2C[N@H+](Cc3c[nH]nn3)C[C@@H]21 ZINC001203198682 962163232 /nfs/dbraw/zinc/16/32/32/962163232.db2.gz OQMLZQBKYBHEMQ-APPZFPTMSA-N 1 2 228.246 1.282 20 0 BDADLO FC1(F)CC[C@@H]2C[N@@H+](Cc3c[nH]nn3)C[C@@H]21 ZINC001203198682 962163246 /nfs/dbraw/zinc/16/32/46/962163246.db2.gz OQMLZQBKYBHEMQ-APPZFPTMSA-N 1 2 228.246 1.282 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1COC[C@@H]1C ZINC000687963805 962583677 /nfs/dbraw/zinc/58/36/77/962583677.db2.gz IBIQULNDWVBGPI-GARJFASQSA-N 1 2 229.320 1.199 20 0 BDADLO O=C(Nc1ccnnc1)c1cccc2[nH+]ccn21 ZINC001154518269 962785889 /nfs/dbraw/zinc/78/58/89/962785889.db2.gz WRGRMDRAOMNUMC-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO O=C(NCc1cc[nH]c1)c1cccc2[nH+]ccn21 ZINC001154525902 962793255 /nfs/dbraw/zinc/79/32/55/962793255.db2.gz DIMNHKRKJKYUHT-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnc2[nH]ccc2c1 ZINC001154594158 962803850 /nfs/dbraw/zinc/80/38/50/962803850.db2.gz FWALNAZJLQKGED-UHFFFAOYSA-N 1 2 241.254 1.419 20 0 BDADLO CCc1coc(CNc2cc(N(C)C)nc[nH+]2)n1 ZINC001154772677 962843588 /nfs/dbraw/zinc/84/35/88/962843588.db2.gz DMGDBKTYIBAYMR-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO CCc1coc(CNc2cc(N(C)C)[nH+]cn2)n1 ZINC001154772677 962843595 /nfs/dbraw/zinc/84/35/95/962843595.db2.gz DMGDBKTYIBAYMR-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO COC(=O)c1[nH+]ccc(NCC(F)(F)F)c1C ZINC001161632979 962884603 /nfs/dbraw/zinc/88/46/03/962884603.db2.gz WTTNZKYERJNOFP-UHFFFAOYSA-N 1 2 248.204 1.573 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@H]1CCNC(=O)C1 ZINC001154934159 962911931 /nfs/dbraw/zinc/91/19/31/962911931.db2.gz PRIWJLOBSOHRDL-VIFPVBQESA-N 1 2 237.278 1.467 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@H+]3C)C2)oc1C ZINC001270290591 962930712 /nfs/dbraw/zinc/93/07/12/962930712.db2.gz SFLRUAKHWWORAP-UHFFFAOYSA-N 1 2 234.299 1.427 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@@H+]3C)C2)oc1C ZINC001270290591 962930722 /nfs/dbraw/zinc/93/07/22/962930722.db2.gz SFLRUAKHWWORAP-UHFFFAOYSA-N 1 2 234.299 1.427 20 0 BDADLO CC(C)(C)c1ccc(NC2(C(N)=O)CC2)[nH+]c1 ZINC001155094750 962972526 /nfs/dbraw/zinc/97/25/26/962972526.db2.gz BLIYJKXQEGZUBW-UHFFFAOYSA-N 1 2 233.315 1.809 20 0 BDADLO CCC(CO)(CO)Nc1ccc2[nH+]cn(C)c2c1 ZINC001167970225 963045511 /nfs/dbraw/zinc/04/55/11/963045511.db2.gz IWXSTLKMWAFQBN-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCOCC12CC2 ZINC001155840032 963184645 /nfs/dbraw/zinc/18/46/45/963184645.db2.gz ADKZCRIBSFAMQO-UHFFFAOYSA-N 1 2 222.263 1.898 20 0 BDADLO [O-][n+]1cccc(NCCCn2cc[nH+]c2)c1 ZINC001161684721 963201057 /nfs/dbraw/zinc/20/10/57/963201057.db2.gz KXTMNMVAZIZXFW-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO CSCCCNc1[nH+]ccc(C)c1C(N)=O ZINC001155976543 963215447 /nfs/dbraw/zinc/21/54/47/963215447.db2.gz QCFPLTKHPNKOED-UHFFFAOYSA-N 1 2 239.344 1.654 20 0 BDADLO CCc1[nH]c(CNC(=O)Cc2ccsc2)c[nH+]1 ZINC001156538079 963380648 /nfs/dbraw/zinc/38/06/48/963380648.db2.gz JLBMRWKESAAORQ-UHFFFAOYSA-N 1 2 249.339 1.893 20 0 BDADLO CCc1[nH]cc(CNC(=O)Cc2ccsc2)[nH+]1 ZINC001156538079 963380656 /nfs/dbraw/zinc/38/06/56/963380656.db2.gz JLBMRWKESAAORQ-UHFFFAOYSA-N 1 2 249.339 1.893 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CCO[C@@H]2C)c[nH+]1 ZINC001156538076 963382053 /nfs/dbraw/zinc/38/20/53/963382053.db2.gz JJHKDKXCTVNGIS-SCZZXKLOSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CCO[C@@H]2C)[nH+]1 ZINC001156538076 963382059 /nfs/dbraw/zinc/38/20/59/963382059.db2.gz JJHKDKXCTVNGIS-SCZZXKLOSA-N 1 2 237.303 1.013 20 0 BDADLO Cc1c(F)cc[nH+]c1NCc1cccnn1 ZINC001156603512 963400104 /nfs/dbraw/zinc/40/01/04/963400104.db2.gz LCEWFSZRCPQQHB-UHFFFAOYSA-N 1 2 218.235 1.931 20 0 BDADLO Nc1[nH+]c(NCc2cccnn2)ccc1Cl ZINC001156610040 963405623 /nfs/dbraw/zinc/40/56/23/963405623.db2.gz AUZDZMSIVWJDPK-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Nc1[nH+]c(NC2CC(=O)C2)ccc1Cl ZINC001156621108 963418130 /nfs/dbraw/zinc/41/81/30/963418130.db2.gz SNBSGASYQHIONO-UHFFFAOYSA-N 1 2 211.652 1.461 20 0 BDADLO C[NH2+][C@H]1CCN1C(F)(F)c1cnc(Cl)cn1 ZINC001156639045 963421660 /nfs/dbraw/zinc/42/16/60/963421660.db2.gz PCHCHBRTUMVPRK-MRVPVSSYSA-N 1 2 248.664 1.431 20 0 BDADLO C=Cc1ccc(NCC2(O)CCOCC2)[nH+]c1 ZINC001156709166 963442789 /nfs/dbraw/zinc/44/27/89/963442789.db2.gz JVTBEKQVLCZONT-UHFFFAOYSA-N 1 2 234.299 1.678 20 0 BDADLO CSc1cc[nH+]c(NCC(C)(C)C(N)=O)c1 ZINC001156738225 963451970 /nfs/dbraw/zinc/45/19/70/963451970.db2.gz DATHBBMAOGUZJU-UHFFFAOYSA-N 1 2 239.344 1.727 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001204383931 963451752 /nfs/dbraw/zinc/45/17/52/963451752.db2.gz OHPHJRGRNRHBMM-OLZOCXBDSA-N 1 2 247.342 1.754 20 0 BDADLO Nc1cc(Cl)nc(NCc2cc[nH+]c(N)c2)c1 ZINC001156756359 963452813 /nfs/dbraw/zinc/45/28/13/963452813.db2.gz WAZLLADLULGPLU-UHFFFAOYSA-N 1 2 249.705 1.907 20 0 BDADLO Nc1cc(CNc2ccc(Cl)nn2)cc[nH+]1 ZINC001156756188 963453838 /nfs/dbraw/zinc/45/38/38/963453838.db2.gz RBQUSZZYWGRYOM-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO COc1cnc(NCc2cc[nH+]c(N)c2)c(C)c1 ZINC001156756833 963453903 /nfs/dbraw/zinc/45/39/03/963453903.db2.gz HXRVRXGXKADCRH-UHFFFAOYSA-N 1 2 244.298 1.988 20 0 BDADLO CSc1nccc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756010 963455286 /nfs/dbraw/zinc/45/52/86/963455286.db2.gz NSSLSWUYWOAUTQ-UHFFFAOYSA-N 1 2 247.327 1.788 20 0 BDADLO COc1cc(C)cc(NCc2cc[nH+]c(N)c2)n1 ZINC001156757109 963455708 /nfs/dbraw/zinc/45/57/08/963455708.db2.gz MAKSSABIMLBBHT-UHFFFAOYSA-N 1 2 244.298 1.988 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]cn2C)CCCC1=O ZINC001204384516 963458341 /nfs/dbraw/zinc/45/83/41/963458341.db2.gz WDRQZEHVZGJVJY-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncn2C)CCCC1=O ZINC001204384516 963458328 /nfs/dbraw/zinc/45/83/28/963458328.db2.gz WDRQZEHVZGJVJY-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncn2C)CCCC1=O ZINC001204384516 963458335 /nfs/dbraw/zinc/45/83/35/963458335.db2.gz WDRQZEHVZGJVJY-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO Cc1nc(NC(C)(C)CCO)c2c([nH+]1)CCC2 ZINC001156913468 963494280 /nfs/dbraw/zinc/49/42/80/963494280.db2.gz SXKXSGORYGTXFK-UHFFFAOYSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1cc(CN(C)C(=O)[C@H](C)n2cc[nH+]c2)no1 ZINC000052606805 963498438 /nfs/dbraw/zinc/49/84/38/963498438.db2.gz OFBKLMJYWKHSIN-JTQLQIEISA-N 1 2 248.286 1.399 20 0 BDADLO C[NH+](C)C1(c2nc(-c3cc[nH]c(=O)c3)no2)CC1 ZINC000896902751 963514168 /nfs/dbraw/zinc/51/41/68/963514168.db2.gz UVMVGACTJKLAEW-UHFFFAOYSA-N 1 2 246.270 1.388 20 0 BDADLO CCC(CO)(CO)Nc1[nH+]ccc(F)c1C ZINC001157200852 963557427 /nfs/dbraw/zinc/55/74/27/963557427.db2.gz WEIYOCMHJLHIIM-UHFFFAOYSA-N 1 2 228.267 1.074 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001203162177 963558452 /nfs/dbraw/zinc/55/84/52/963558452.db2.gz SQQOAPUMRRLROJ-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001203162177 963558459 /nfs/dbraw/zinc/55/84/59/963558459.db2.gz SQQOAPUMRRLROJ-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCO[C@@H](C)C2)CCC1 ZINC001168071528 963598520 /nfs/dbraw/zinc/59/85/20/963598520.db2.gz JADLHQZQVUVCST-UWVGGRQHSA-N 1 2 227.304 1.239 20 0 BDADLO CN(C)c1cc(NC[C@H]2C[C@H](F)C2)[nH+]cn1 ZINC001157451373 963611332 /nfs/dbraw/zinc/61/13/32/963611332.db2.gz BCERICPRNNKOPO-KYZUINATSA-N 1 2 224.283 1.703 20 0 BDADLO CN(C)c1cc(NC[C@H]2C[C@H](F)C2)nc[nH+]1 ZINC001157451373 963611337 /nfs/dbraw/zinc/61/13/37/963611337.db2.gz BCERICPRNNKOPO-KYZUINATSA-N 1 2 224.283 1.703 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1nccc(OC)n1 ZINC001157459955 963620399 /nfs/dbraw/zinc/62/03/99/963620399.db2.gz OHPORZJIPQSCHQ-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1C[C@@](C)(O)C1 ZINC001157554730 963658847 /nfs/dbraw/zinc/65/88/47/963658847.db2.gz SXHDCPPZBVXMPQ-WVSHTKLVSA-N 1 2 222.288 1.663 20 0 BDADLO C[C@@]1(O)C[C@H](CNc2cc(N)cc(Cl)[nH+]2)C1 ZINC001157554053 963660086 /nfs/dbraw/zinc/66/00/86/963660086.db2.gz JIRFPDRTEGZLDG-DGFRNANFSA-N 1 2 241.722 1.890 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@H]1CC(=O)N(C)C1 ZINC001157908983 963760654 /nfs/dbraw/zinc/76/06/54/963760654.db2.gz KDSBTEMBTIKYIE-SNVBAGLBSA-N 1 2 249.314 1.289 20 0 BDADLO CC(C)[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158470673 963879481 /nfs/dbraw/zinc/87/94/81/963879481.db2.gz FFYYZCGXKKWKFN-ZETCQYMHSA-N 1 2 244.232 1.391 20 0 BDADLO CC(C)[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158470673 963879488 /nfs/dbraw/zinc/87/94/88/963879488.db2.gz FFYYZCGXKKWKFN-ZETCQYMHSA-N 1 2 244.232 1.391 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1cnccn1 ZINC001158594847 963893558 /nfs/dbraw/zinc/89/35/58/963893558.db2.gz UTEGXKDOEAIGAY-VIFPVBQESA-N 1 2 244.302 1.506 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1cnccn1 ZINC001158594847 963893561 /nfs/dbraw/zinc/89/35/61/963893561.db2.gz UTEGXKDOEAIGAY-VIFPVBQESA-N 1 2 244.302 1.506 20 0 BDADLO Cc1cc(F)cnc1NC[C@@H]1COCC[N@H+]1C ZINC001158702856 963902759 /nfs/dbraw/zinc/90/27/59/963902759.db2.gz USIHJKAJSGVJRE-LLVKDONJSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(F)cnc1NC[C@@H]1COCC[N@@H+]1C ZINC001158702856 963902763 /nfs/dbraw/zinc/90/27/63/963902763.db2.gz USIHJKAJSGVJRE-LLVKDONJSA-N 1 2 239.294 1.272 20 0 BDADLO C=CC(=O)NCCNc1[nH+]ccc(F)c1C ZINC001158835234 963935833 /nfs/dbraw/zinc/93/58/33/963935833.db2.gz QFNGMDYXONCRAX-UHFFFAOYSA-N 1 2 223.251 1.243 20 0 BDADLO Nc1ccc(N2C[C@@H]3CCCC(=O)[C@H]3C2)[nH+]c1 ZINC001158999796 963972210 /nfs/dbraw/zinc/97/22/10/963972210.db2.gz MQSUUQWIMGRYMY-ONGXEEELSA-N 1 2 231.299 1.469 20 0 BDADLO Cc1cc(N2CCN(C#N)CC2)nc(C2CC2)[nH+]1 ZINC001159101724 964000496 /nfs/dbraw/zinc/00/04/96/964000496.db2.gz NUJJPQDJKOOEFL-UHFFFAOYSA-N 1 2 243.314 1.266 20 0 BDADLO O=c1cc2[nH]cc([NH2+]C[C@H]3C[C@H](F)C3)cc-2[nH]1 ZINC001168237087 964035405 /nfs/dbraw/zinc/03/54/05/964035405.db2.gz DRRBVKIGXBBEFQ-ZKCHVHJHSA-N 1 2 235.262 1.736 20 0 BDADLO COCc1cc[nH+]c(NCC(C)(OC)OC)c1 ZINC001159377600 964075001 /nfs/dbraw/zinc/07/50/01/964075001.db2.gz MKZCLNHTUMAINU-UHFFFAOYSA-N 1 2 240.303 1.649 20 0 BDADLO COc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC000168630043 964184907 /nfs/dbraw/zinc/18/49/07/964184907.db2.gz PREHKLRVVZBBSY-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO C[C@@H](Nc1cc(N)nc[nH+]1)c1ncc(F)cn1 ZINC001159966503 964231595 /nfs/dbraw/zinc/23/15/95/964231595.db2.gz SWZDWNYOIIMYAB-ZCFIWIBFSA-N 1 2 234.238 1.161 20 0 BDADLO Cc1cc(C)c(-c2noc(C[NH+]3CCC3)n2)cn1 ZINC001212095608 964255183 /nfs/dbraw/zinc/25/51/83/964255183.db2.gz PUIDMIFWZOVNKF-UHFFFAOYSA-N 1 2 244.298 1.954 20 0 BDADLO Cc1ccncc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095363 964255344 /nfs/dbraw/zinc/25/53/44/964255344.db2.gz DKJXUJXABGFZCT-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO CCCC1CCN(C(=O)C2(F)C[NH2+]C2)CC1 ZINC001160455247 964305273 /nfs/dbraw/zinc/30/52/73/964305273.db2.gz RAXKKGVFYCKQTD-UHFFFAOYSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@@]1(O)C[C@H](C[NH2+]c2ccc(O)cc2)C1 ZINC001168344467 964486260 /nfs/dbraw/zinc/48/62/60/964486260.db2.gz POIVQMLYQFKRNG-WVSHTKLVSA-N 1 2 207.273 1.965 20 0 BDADLO O=c1[nH]nccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213029041 964507027 /nfs/dbraw/zinc/50/70/27/964507027.db2.gz FZAJATDZSABKFD-UHFFFAOYSA-N 1 2 227.227 1.802 20 0 BDADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccnn1C ZINC000924645359 964528481 /nfs/dbraw/zinc/52/84/81/964528481.db2.gz XIRQSPZXCAZTTN-LLVKDONJSA-N 1 2 246.314 1.884 20 0 BDADLO Nc1cc(N[C@@H]2CCCc3nccnc32)[nH+]cn1 ZINC001161408368 964591125 /nfs/dbraw/zinc/59/11/25/964591125.db2.gz DMFDIOKTARTBDS-SECBINFHSA-N 1 2 242.286 1.338 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c1C ZINC001206677132 964644029 /nfs/dbraw/zinc/64/40/29/964644029.db2.gz YQPNASYRXACXTE-LLVKDONJSA-N 1 2 243.301 1.800 20 0 BDADLO CC(C)CNc1ccn2cc(N)[nH+]c2c1 ZINC001161648532 964663561 /nfs/dbraw/zinc/66/35/61/964663561.db2.gz NCTQMUQGWJJXME-UHFFFAOYSA-N 1 2 204.277 1.984 20 0 BDADLO FCc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC001161682218 964683432 /nfs/dbraw/zinc/68/34/32/964683432.db2.gz MIFSSNRHQDJGGX-UHFFFAOYSA-N 1 2 235.266 1.645 20 0 BDADLO COc1cnc(C)nc1NCCCn1cc[nH+]c1 ZINC001161682538 964683677 /nfs/dbraw/zinc/68/36/77/964683677.db2.gz TVTTZCBPCDDPRN-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO COc1ncncc1NCCCn1cc[nH+]c1 ZINC001161688264 964687885 /nfs/dbraw/zinc/68/78/85/964687885.db2.gz NJXHFPDZEOBTNW-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO FC(F)CNc1ccc(N2CCOCC2)c[nH+]1 ZINC001161809023 964761695 /nfs/dbraw/zinc/76/16/95/964761695.db2.gz CHSZTZQBFXXTHN-UHFFFAOYSA-N 1 2 243.257 1.595 20 0 BDADLO CN(C)c1cc(Cl)[nH+]c(NCC2COC2)c1 ZINC001161943649 964826290 /nfs/dbraw/zinc/82/62/90/964826290.db2.gz SYTLHENYGABLMC-UHFFFAOYSA-N 1 2 241.722 1.859 20 0 BDADLO c1cn(Cc2ccc(NCC3COC3)cc2)c[nH+]1 ZINC001161949127 964833149 /nfs/dbraw/zinc/83/31/49/964833149.db2.gz HWWPKZAZAXFGSC-UHFFFAOYSA-N 1 2 243.310 1.990 20 0 BDADLO C[C@@H]([NH2+]CC1CSC1)C(=O)OC(C)(C)C ZINC000697998633 964859094 /nfs/dbraw/zinc/85/90/94/964859094.db2.gz DZZLAURLYPHAIU-MRVPVSSYSA-N 1 2 231.361 1.669 20 0 BDADLO CC(F)(F)CNc1ccn2cc(N)[nH+]c2c1 ZINC001162234139 964889082 /nfs/dbraw/zinc/88/90/82/964889082.db2.gz MOKGDJKZPZZCKE-UHFFFAOYSA-N 1 2 226.230 1.984 20 0 BDADLO COc1c[nH+]c(NC[C@@H](F)C(C)(C)O)c(C)c1 ZINC001162412384 964967999 /nfs/dbraw/zinc/96/79/99/964967999.db2.gz URTLDYAHEFXEEG-SNVBAGLBSA-N 1 2 242.294 1.920 20 0 BDADLO c1cn2ccc(NCCN3CCCCO3)cc2[nH+]1 ZINC001162419915 964972808 /nfs/dbraw/zinc/97/28/08/964972808.db2.gz RFWDRTDNIBZUHX-UHFFFAOYSA-N 1 2 246.314 1.774 20 0 BDADLO O=C1COc2cc3[nH+]c(CC4CC4)[nH]c3cc2N1 ZINC000587961322 965088718 /nfs/dbraw/zinc/08/87/18/965088718.db2.gz FJKPEDJVAMCLET-UHFFFAOYSA-N 1 2 243.266 1.846 20 0 BDADLO O=C1NC[C@H](CNc2cccc(C3CC3)[nH+]2)O1 ZINC001163021061 965233304 /nfs/dbraw/zinc/23/33/04/965233304.db2.gz OYYAIUVAHFCFAQ-VIFPVBQESA-N 1 2 233.271 1.479 20 0 BDADLO FC(F)(F)c1ncc(C[NH+]2CCC2)cn1 ZINC001141451487 965260108 /nfs/dbraw/zinc/26/01/08/965260108.db2.gz PFBIJOWMTOKAMD-UHFFFAOYSA-N 1 2 217.194 1.701 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH+]c(C)[nH]2)no1 ZINC001232460942 965357144 /nfs/dbraw/zinc/35/71/44/965357144.db2.gz WZWKVBIFSJQPDM-UHFFFAOYSA-N 1 2 221.264 1.042 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH]c(C)[nH+]2)no1 ZINC001232460942 965357159 /nfs/dbraw/zinc/35/71/59/965357159.db2.gz WZWKVBIFSJQPDM-UHFFFAOYSA-N 1 2 221.264 1.042 20 0 BDADLO COc1ccnc(N(C(N)=[NH2+])c2cc(C)[nH]n2)c1 ZINC001163508187 965420288 /nfs/dbraw/zinc/42/02/88/965420288.db2.gz NRLPHWMQTBSIAL-UHFFFAOYSA-N 1 2 246.274 1.153 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2CO)c2c([nH+]1)CCC2 ZINC001163552409 965448205 /nfs/dbraw/zinc/44/82/05/965448205.db2.gz FRTKPIZWKPFDFU-LLVKDONJSA-N 1 2 247.342 1.625 20 0 BDADLO CCN(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC001163583679 965464801 /nfs/dbraw/zinc/46/48/01/965464801.db2.gz RZRMXQGYEXUALC-UHFFFAOYSA-N 1 2 238.360 1.486 20 0 BDADLO CCN(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC001163583679 965464808 /nfs/dbraw/zinc/46/48/08/965464808.db2.gz RZRMXQGYEXUALC-UHFFFAOYSA-N 1 2 238.360 1.486 20 0 BDADLO COCC1CN(c2[nH+]c(C)ccc2OC)C1 ZINC001163729813 965543843 /nfs/dbraw/zinc/54/38/43/965543843.db2.gz AOANGGMPNRMWBK-UHFFFAOYSA-N 1 2 222.288 1.481 20 0 BDADLO Nc1cc(N2CC3(C2)CC(F)(F)C3)[nH+]cn1 ZINC001163747021 965566176 /nfs/dbraw/zinc/56/61/76/965566176.db2.gz HJMMYLORUXLQMH-UHFFFAOYSA-N 1 2 226.230 1.294 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cccc(O)c2F)C1 ZINC001233870638 965599486 /nfs/dbraw/zinc/59/94/86/965599486.db2.gz GMUALMJOCHDFFV-VIFPVBQESA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cccc(O)c2F)C1 ZINC001233870638 965599495 /nfs/dbraw/zinc/59/94/95/965599495.db2.gz GMUALMJOCHDFFV-VIFPVBQESA-N 1 2 241.262 1.241 20 0 BDADLO C[C@@H]1CN(c2ccc(Cl)c(N)[nH+]2)CCCO1 ZINC001163966571 965666157 /nfs/dbraw/zinc/66/61/57/965666157.db2.gz PJYIXUDARDOUIR-MRVPVSSYSA-N 1 2 241.722 1.932 20 0 BDADLO Cc1c(F)cc[nH+]c1N1Cc2cncnc2C1 ZINC001163984290 965679099 /nfs/dbraw/zinc/67/90/99/965679099.db2.gz AYTYOMRKBGVBBU-UHFFFAOYSA-N 1 2 230.246 1.839 20 0 BDADLO CC(C)(C)C(=O)CNc1c[nH+]c2c(c1)CCCN2 ZINC001164007034 965692546 /nfs/dbraw/zinc/69/25/46/965692546.db2.gz DMJQZYMQZNSTLQ-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO Cc1nonc1CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001164052982 965717332 /nfs/dbraw/zinc/71/73/32/965717332.db2.gz LIKOWMNVUYZHAE-UHFFFAOYSA-N 1 2 248.221 1.401 20 0 BDADLO CC1(C)C[C@H](CNc2cc[nH+]cc2F)O1 ZINC001168452717 965748579 /nfs/dbraw/zinc/74/85/79/965748579.db2.gz KLOIAAATQWVSBG-MRVPVSSYSA-N 1 2 210.252 1.622 20 0 BDADLO C[C@]1(CO)CCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001164149025 965761611 /nfs/dbraw/zinc/76/16/11/965761611.db2.gz XGNSPRQFVWCNDJ-NSHDSACASA-N 1 2 241.722 1.526 20 0 BDADLO Cc1nc(N2CC[C@@](C)(CO)C2)c(C)c(C)[nH+]1 ZINC001164147298 965761697 /nfs/dbraw/zinc/76/16/97/965761697.db2.gz RIODHNZWUYYPLI-CYBMUJFWSA-N 1 2 235.331 1.611 20 0 BDADLO COc1cc(C)c[nH+]c1N1C[C@@H](F)[C@H](F)C1 ZINC001164211552 965796568 /nfs/dbraw/zinc/79/65/68/965796568.db2.gz YOHPLELQVCXMCL-RKDXNWHRSA-N 1 2 228.242 1.895 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(OC)c(N)c1 ZINC001203497687 965810941 /nfs/dbraw/zinc/81/09/41/965810941.db2.gz PGCMYZWDYVWPDG-UHFFFAOYSA-N 1 2 246.270 1.820 20 0 BDADLO COc1cc[nH+]cc1NCCCc1c[nH][nH]c1=O ZINC001164373899 965867202 /nfs/dbraw/zinc/86/72/02/965867202.db2.gz DGURCLVDXUEHPL-SECBINFHSA-N 1 2 248.286 1.014 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001031181812 965926989 /nfs/dbraw/zinc/92/69/89/965926989.db2.gz SKFBQWDVUYYLTN-JSGCOSHPSA-N 1 2 238.375 1.879 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@](C)(O)C1 ZINC001165229136 965996414 /nfs/dbraw/zinc/99/64/14/965996414.db2.gz ONLIXXPLOQCARQ-NSHDSACASA-N 1 2 210.252 1.490 20 0 BDADLO Nc1cc(N2CC[C@@H]3CCCO[C@H]3C2)[nH+]cn1 ZINC001165332654 966056427 /nfs/dbraw/zinc/05/64/27/966056427.db2.gz FGCVGOZBOBTQES-UWVGGRQHSA-N 1 2 234.303 1.064 20 0 BDADLO CN(C[C@@H](O)CO)c1ccc(C(C)(C)C)c[nH+]1 ZINC001165533796 966120529 /nfs/dbraw/zinc/12/05/29/966120529.db2.gz AYYHHGGAHYHKKH-LLVKDONJSA-N 1 2 238.331 1.169 20 0 BDADLO CCOCC[C@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001172412625 974677608 /nfs/dbraw/zinc/67/76/08/974677608.db2.gz ZSLSEZGHAKETAT-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO COc1ccccc1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001165644675 966145320 /nfs/dbraw/zinc/14/53/20/966145320.db2.gz INXQPKAGWHEFOM-UHFFFAOYSA-N 1 2 245.282 1.624 20 0 BDADLO C[C@@H](CCO)Nc1ccn2cc[nH+]c2c1 ZINC001165906476 966198672 /nfs/dbraw/zinc/19/86/72/966198672.db2.gz XUDSDOPUCNEQKN-VIFPVBQESA-N 1 2 205.261 1.517 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236021132 966232924 /nfs/dbraw/zinc/23/29/24/966232924.db2.gz HXUAMMWAKWYLOG-TZMCWYRMSA-N 1 2 246.310 1.226 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236021132 966232940 /nfs/dbraw/zinc/23/29/40/966232940.db2.gz HXUAMMWAKWYLOG-TZMCWYRMSA-N 1 2 246.310 1.226 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC2CCC1CC2 ZINC001123782115 966263815 /nfs/dbraw/zinc/26/38/15/966263815.db2.gz FNRINGQQGHXVFV-UHFFFAOYSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-n1nccc1N ZINC001206714823 966274754 /nfs/dbraw/zinc/27/47/54/966274754.db2.gz RDKDUJUUWVRILE-UHFFFAOYSA-N 1 2 217.276 1.224 20 0 BDADLO CC(=O)OC1CN(c2nc(C)[nH+]c3c2CCC3)C1 ZINC001166640789 966349076 /nfs/dbraw/zinc/34/90/76/966349076.db2.gz QDVJJJFYUFQYDR-UHFFFAOYSA-N 1 2 247.298 1.025 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC(OC(C)=O)C1 ZINC001166639765 966349111 /nfs/dbraw/zinc/34/91/11/966349111.db2.gz AOMVDIYBBQHGKG-UHFFFAOYSA-N 1 2 236.271 1.150 20 0 BDADLO CC(C)Oc1cc(N[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC001166665698 966357410 /nfs/dbraw/zinc/35/74/10/966357410.db2.gz KEPCEZARCIZRPR-NSHDSACASA-N 1 2 249.314 1.511 20 0 BDADLO Cc1cc[nH+]c(C)c1N[C@@H]1CCN(C)C1=O ZINC001166686236 966363397 /nfs/dbraw/zinc/36/33/97/966363397.db2.gz OPAVHLMOXBDZMZ-SNVBAGLBSA-N 1 2 219.288 1.341 20 0 BDADLO CC(=O)N(C)C1CN(c2ccc(C(C)C)c[nH+]2)C1 ZINC001166733066 966382754 /nfs/dbraw/zinc/38/27/54/966382754.db2.gz BYSPJXYIGIQNAW-UHFFFAOYSA-N 1 2 247.342 1.872 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)o1 ZINC001236588765 966472912 /nfs/dbraw/zinc/47/29/12/966472912.db2.gz BIGRCAFGCNWNIK-WDEREUQCSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)o1 ZINC001236588765 966472917 /nfs/dbraw/zinc/47/29/17/966472917.db2.gz BIGRCAFGCNWNIK-WDEREUQCSA-N 1 2 242.294 1.444 20 0 BDADLO CN(CC1COC1)c1ccc(Cl)c(N)[nH+]1 ZINC001166950831 966478242 /nfs/dbraw/zinc/47/82/42/966478242.db2.gz UGZRXPWCLXDXKS-UHFFFAOYSA-N 1 2 227.695 1.400 20 0 BDADLO c1cc2nonc2c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001203140059 966523349 /nfs/dbraw/zinc/52/33/49/966523349.db2.gz LBXUCSQDLYUFNM-MNOVXSKESA-N 1 2 231.255 1.196 20 0 BDADLO c1cc2nonc2c(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001203140059 966523359 /nfs/dbraw/zinc/52/33/59/966523359.db2.gz LBXUCSQDLYUFNM-MNOVXSKESA-N 1 2 231.255 1.196 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccco3)[C@H]2C1 ZINC001203273216 966589178 /nfs/dbraw/zinc/58/91/78/966589178.db2.gz WWGZOXBZCCKYEV-WCFLWFBJSA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccco3)[C@H]2C1 ZINC001203273216 966589184 /nfs/dbraw/zinc/58/91/84/966589184.db2.gz WWGZOXBZCCKYEV-WCFLWFBJSA-N 1 2 237.299 1.251 20 0 BDADLO CN1C[C@H]2CCC[N@H+](Cc3ccco3)[C@H]2C1 ZINC001203285635 966595062 /nfs/dbraw/zinc/59/50/62/966595062.db2.gz SCBLUVWZLSFDPJ-YPMHNXCESA-N 1 2 220.316 1.806 20 0 BDADLO CN1C[C@H]2CCC[N@@H+](Cc3ccco3)[C@H]2C1 ZINC001203285635 966595072 /nfs/dbraw/zinc/59/50/72/966595072.db2.gz SCBLUVWZLSFDPJ-YPMHNXCESA-N 1 2 220.316 1.806 20 0 BDADLO CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C(=O)[O-] ZINC001236868569 966601779 /nfs/dbraw/zinc/60/17/79/966601779.db2.gz NKBKYHXLEAPPIG-NSHDSACASA-N 1 2 236.315 1.554 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC001524816123 966615276 /nfs/dbraw/zinc/61/52/76/966615276.db2.gz SFMXJNOMCJIFAN-MDZLAQPJSA-N 1 2 247.342 1.515 20 0 BDADLO Cc1ccc(Nc2cnnn2C)c(C)[nH+]1 ZINC001203370254 966620941 /nfs/dbraw/zinc/62/09/41/966620941.db2.gz YGOWZHZPHBEYJC-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO COc1cc(C[N@H+](C)C2COC2)cc(OC)c1 ZINC001203859151 966799408 /nfs/dbraw/zinc/79/94/08/966799408.db2.gz IJNPPUVSJJLKAI-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO COc1cc(C[N@@H+](C)C2COC2)cc(OC)c1 ZINC001203859151 966799416 /nfs/dbraw/zinc/79/94/16/966799416.db2.gz IJNPPUVSJJLKAI-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO CC(=O)N[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107603215 966807005 /nfs/dbraw/zinc/80/70/05/966807005.db2.gz JRDDWVQSCVMYFX-SECBINFHSA-N 1 2 248.330 1.599 20 0 BDADLO COc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001203956433 966829632 /nfs/dbraw/zinc/82/96/32/966829632.db2.gz XWHUXGOKLYSTOR-UHFFFAOYSA-N 1 2 219.284 1.670 20 0 BDADLO COc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001203956433 966829633 /nfs/dbraw/zinc/82/96/33/966829633.db2.gz XWHUXGOKLYSTOR-UHFFFAOYSA-N 1 2 219.284 1.670 20 0 BDADLO C[C@@H]1C[N@H+](C2CN(Cc3ccc[nH]3)C2)C[C@H](C)O1 ZINC001204011240 966850708 /nfs/dbraw/zinc/85/07/08/966850708.db2.gz YLUQZLFBDCWQPI-TXEJJXNPSA-N 1 2 249.358 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc[nH]3)C2)C[C@H](C)O1 ZINC001204011240 966850710 /nfs/dbraw/zinc/85/07/10/966850710.db2.gz YLUQZLFBDCWQPI-TXEJJXNPSA-N 1 2 249.358 1.308 20 0 BDADLO N#CN1CC[NH+](Cc2cccs2)CC1 ZINC001204019429 966854755 /nfs/dbraw/zinc/85/47/55/966854755.db2.gz YTNVLBMHIVWWLB-UHFFFAOYSA-N 1 2 207.302 1.347 20 0 BDADLO c1cc(C[NH+]2CC(N3CCOCC3)C2)cs1 ZINC001204039179 966863641 /nfs/dbraw/zinc/86/36/41/966863641.db2.gz OBTLGWHMIGLELR-UHFFFAOYSA-N 1 2 238.356 1.265 20 0 BDADLO CCN(Cc1ccsc1)C1C[NH+](C)C1 ZINC001204043148 966867633 /nfs/dbraw/zinc/86/76/33/966867633.db2.gz WJVJZIGWSKQYOQ-UHFFFAOYSA-N 1 2 210.346 1.884 20 0 BDADLO Cc1cccc(C[NH+]2CCN(CCF)CC2)n1 ZINC001204068018 966877404 /nfs/dbraw/zinc/87/74/04/966877404.db2.gz OWICFHVTWRWGKE-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO Cn1cnc2c1C[N@H+](Cc1ccc(O)cc1)CC2 ZINC001204098838 966893532 /nfs/dbraw/zinc/89/35/32/966893532.db2.gz KSIWBYWIAJNERQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cnc2c1C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC001204098838 966893536 /nfs/dbraw/zinc/89/35/36/966893536.db2.gz KSIWBYWIAJNERQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO C[C@@H]1Cc2cc(C[NH2+]Cc3nnc[nH]3)ccc2O1 ZINC001204134995 966897089 /nfs/dbraw/zinc/89/70/89/966897089.db2.gz CKASPGMLNBMSRE-SECBINFHSA-N 1 2 244.298 1.418 20 0 BDADLO O[C@H]1C[N@H+](Cc2c(F)cccc2F)CC[C@H]1F ZINC001204202409 966923063 /nfs/dbraw/zinc/92/30/63/966923063.db2.gz BPRROUBGAPUSHP-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@H]1F ZINC001204202409 966923070 /nfs/dbraw/zinc/92/30/70/966923070.db2.gz BPRROUBGAPUSHP-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)cc1C ZINC001204355831 966980936 /nfs/dbraw/zinc/98/09/36/966980936.db2.gz VOXJNDNFNQLPNC-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)cc1C ZINC001204355831 966980940 /nfs/dbraw/zinc/98/09/40/966980940.db2.gz VOXJNDNFNQLPNC-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1c[nH]c(=O)c(Nc2ccc[nH+]c2N)c1 ZINC001212394009 967016620 /nfs/dbraw/zinc/01/66/20/967016620.db2.gz WMGAALRWJJROGG-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CC(=O)NC[C@H]2C)c1 ZINC001204525482 967021840 /nfs/dbraw/zinc/02/18/40/967021840.db2.gz DOAUOZSJKFVUCF-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CC(=O)NC[C@H]2C)c1 ZINC001204525482 967021849 /nfs/dbraw/zinc/02/18/49/967021849.db2.gz DOAUOZSJKFVUCF-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cc(C)c(C)o2)CC1 ZINC001204534814 967028923 /nfs/dbraw/zinc/02/89/23/967028923.db2.gz YUBRQURDMDKNAG-UHFFFAOYSA-N 1 2 236.315 1.561 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001204549070 967047592 /nfs/dbraw/zinc/04/75/92/967047592.db2.gz DORALAXMFYYYEF-VIFPVBQESA-N 1 2 210.302 1.554 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001204549070 967047602 /nfs/dbraw/zinc/04/76/02/967047602.db2.gz DORALAXMFYYYEF-VIFPVBQESA-N 1 2 210.302 1.554 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cncnc1 ZINC001204583255 967071662 /nfs/dbraw/zinc/07/16/62/967071662.db2.gz IRTJXAPEGHXROJ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cncnc1 ZINC001204583255 967071674 /nfs/dbraw/zinc/07/16/74/967071674.db2.gz IRTJXAPEGHXROJ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC2(C1)CC(F)(F)CO2 ZINC001204590020 967086242 /nfs/dbraw/zinc/08/62/42/967086242.db2.gz AXTUDQQYYJCTJV-UHFFFAOYSA-N 1 2 243.257 1.328 20 0 BDADLO N#CNc1c(Br)ccc2[nH+]ccn21 ZINC001168636645 967165300 /nfs/dbraw/zinc/16/53/00/967165300.db2.gz RVGRFWAZTWMWNS-UHFFFAOYSA-N 1 2 237.060 1.990 20 0 BDADLO CSc1cc(N)n(-c2ccn3cc[nH+]c3c2)n1 ZINC001204966184 967266608 /nfs/dbraw/zinc/26/66/08/967266608.db2.gz QCNUBYBFOAJPCZ-UHFFFAOYSA-N 1 2 245.311 1.824 20 0 BDADLO c1nn(CC[NH+]2CCOCC2)cc1CC1CC1 ZINC001250036261 967290928 /nfs/dbraw/zinc/29/09/28/967290928.db2.gz OSPCGIKTRZZTLS-UHFFFAOYSA-N 1 2 235.331 1.168 20 0 BDADLO CC(C)OC(=O)Cc1ccc2[nH+]ccn2c1 ZINC001250085476 967348582 /nfs/dbraw/zinc/34/85/82/967348582.db2.gz LBYPSYXCHURSNJ-UHFFFAOYSA-N 1 2 218.256 1.828 20 0 BDADLO CN1CCOc2cc(C[C@H]3CCCO3)c[nH+]c21 ZINC001250103136 967376240 /nfs/dbraw/zinc/37/62/40/967376240.db2.gz LLTGNMUZKKLEIQ-LLVKDONJSA-N 1 2 234.299 1.632 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)ccc1F ZINC001205162068 967404828 /nfs/dbraw/zinc/40/48/28/967404828.db2.gz NFAXKZHLKXYOHT-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)ccc1F ZINC001205162068 967404835 /nfs/dbraw/zinc/40/48/35/967404835.db2.gz NFAXKZHLKXYOHT-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO CCn1cnc(Cl)c1C[N@H+](CCO)C(C)C ZINC001205216842 967430469 /nfs/dbraw/zinc/43/04/69/967430469.db2.gz ZHTUQXNVVYYRBJ-UHFFFAOYSA-N 1 2 245.754 1.759 20 0 BDADLO CCn1cnc(Cl)c1C[N@@H+](CCO)C(C)C ZINC001205216842 967430477 /nfs/dbraw/zinc/43/04/77/967430477.db2.gz ZHTUQXNVVYYRBJ-UHFFFAOYSA-N 1 2 245.754 1.759 20 0 BDADLO C[C@]1(C[NH2+]CC(F)(F)CO)CCCCO1 ZINC001205276300 967471749 /nfs/dbraw/zinc/47/17/49/967471749.db2.gz GTPVGCPVUWCEQC-SECBINFHSA-N 1 2 223.263 1.163 20 0 BDADLO Cc1[nH+]cc(C[C@H]2COC(C)(C)O2)cc1N ZINC001250186225 967492324 /nfs/dbraw/zinc/49/23/24/967492324.db2.gz PILILEZDNTYIED-JTQLQIEISA-N 1 2 222.288 1.666 20 0 BDADLO Cn1cc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001240297635 967506078 /nfs/dbraw/zinc/50/60/78/967506078.db2.gz LYXMXYGXRDGUQX-UHFFFAOYSA-N 1 2 200.245 1.450 20 0 BDADLO Nc1ccc(CC[NH+]2CCOCC2)c(F)c1 ZINC001250275919 967604667 /nfs/dbraw/zinc/60/46/67/967604667.db2.gz RGRCBGMFJHHHKZ-UHFFFAOYSA-N 1 2 224.279 1.283 20 0 BDADLO OC1C[NH+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168718293 967623354 /nfs/dbraw/zinc/62/33/54/967623354.db2.gz NZEVGKNJZJXHDC-VIFPVBQESA-N 1 2 223.703 1.484 20 0 BDADLO CNc1ccccc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC001205450451 967634334 /nfs/dbraw/zinc/63/43/34/967634334.db2.gz IYMIJMUOYMXQAJ-LLVKDONJSA-N 1 2 247.342 1.391 20 0 BDADLO CNc1ccccc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC001205450451 967634346 /nfs/dbraw/zinc/63/43/46/967634346.db2.gz IYMIJMUOYMXQAJ-LLVKDONJSA-N 1 2 247.342 1.391 20 0 BDADLO CN(C)c1ccc(NCC(F)F)[nH+]c1 ZINC001161815695 967654368 /nfs/dbraw/zinc/65/43/68/967654368.db2.gz MRQSTXNWIXCSEJ-UHFFFAOYSA-N 1 2 201.220 1.825 20 0 BDADLO CN1C[C@@H](C[NH2+]c2ccc(O)cc2)CC1=O ZINC001168728580 967668281 /nfs/dbraw/zinc/66/82/81/967668281.db2.gz XVVUIWOAXOVMKX-SECBINFHSA-N 1 2 220.272 1.282 20 0 BDADLO c1cn(CCc2ccc3nonc3c2)c[nH+]1 ZINC001250316358 967676642 /nfs/dbraw/zinc/67/66/42/967676642.db2.gz LHKIOVUKECMJRK-UHFFFAOYSA-N 1 2 214.228 1.662 20 0 BDADLO C[S@@](=O)c1ccc(CCn2cc[nH+]c2)cc1 ZINC001250316309 967677243 /nfs/dbraw/zinc/67/72/43/967677243.db2.gz IDLTXDBCYRACAX-MRXNPFEDSA-N 1 2 234.324 1.863 20 0 BDADLO CCn1cc(C[N@H+](C)C2(C)COC2)cn1 ZINC001205544941 967680727 /nfs/dbraw/zinc/68/07/27/967680727.db2.gz MKWHHXSWRYOFDR-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)c(F)cn1 ZINC001250316801 967683739 /nfs/dbraw/zinc/68/37/39/967683739.db2.gz YONPZWIUPLVNRC-UHFFFAOYSA-N 1 2 221.235 1.669 20 0 BDADLO COc1ccc(CCn2cc[nH+]c2)c(OC)n1 ZINC001250316570 967685150 /nfs/dbraw/zinc/68/51/50/967685150.db2.gz NGIIXIHSFHIKOP-UHFFFAOYSA-N 1 2 233.271 1.538 20 0 BDADLO COc1ncc(CCn2cc[nH+]c2)cc1C ZINC001250318373 967686207 /nfs/dbraw/zinc/68/62/07/967686207.db2.gz FFFKRKOSTMLTEC-UHFFFAOYSA-N 1 2 217.272 1.838 20 0 BDADLO OCc1ccc(CCn2cc[nH+]c2)cc1F ZINC001250318344 967687954 /nfs/dbraw/zinc/68/79/54/967687954.db2.gz CVILIKSGLVWSTJ-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO COC(=O)c1ccc(CCn2cc[nH+]c2)cc1N ZINC001250318500 967689455 /nfs/dbraw/zinc/68/94/55/967689455.db2.gz BHFGQEXJPVNXKV-UHFFFAOYSA-N 1 2 245.282 1.495 20 0 BDADLO OCc1cc(F)c(CCn2cc[nH+]c2)c(F)c1 ZINC001250321199 967700375 /nfs/dbraw/zinc/70/03/75/967700375.db2.gz XQHYVSNJRSXWLV-UHFFFAOYSA-N 1 2 238.237 1.896 20 0 BDADLO CNc1ccc(Nc2cc(=O)[nH]c(=S)[nH]2)c[nH+]1 ZINC001203448759 967757406 /nfs/dbraw/zinc/75/74/06/967757406.db2.gz ISPFPMMPINYZBZ-UHFFFAOYSA-N 1 2 249.299 1.651 20 0 BDADLO C[N@H+](Cc1cnoc1)Cc1ccccn1 ZINC001205669803 967759381 /nfs/dbraw/zinc/75/93/81/967759381.db2.gz AICJIXKBGWJYRB-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1cnoc1)Cc1ccccn1 ZINC001205669803 967759395 /nfs/dbraw/zinc/75/93/95/967759395.db2.gz AICJIXKBGWJYRB-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO COCc1nc(Cc2ccc3[nH+]ccn3c2)no1 ZINC001250367005 967777928 /nfs/dbraw/zinc/77/79/28/967777928.db2.gz OVVBJIURZFSLBI-UHFFFAOYSA-N 1 2 244.254 1.455 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2ncn(C)c2C1 ZINC001205814205 967836637 /nfs/dbraw/zinc/83/66/37/967836637.db2.gz XEHBRKYVCWYPRK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2ncn(C)c2C1 ZINC001205814205 967836638 /nfs/dbraw/zinc/83/66/38/967836638.db2.gz XEHBRKYVCWYPRK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cnccc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212537548 967851775 /nfs/dbraw/zinc/85/17/75/967851775.db2.gz WCDHEXOXFUTGLV-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO Cc1cc(C[N@@H+]2CCCCC23COC3)n(C)n1 ZINC001205911755 967884116 /nfs/dbraw/zinc/88/41/16/967884116.db2.gz ZTQNYVJTFJYYCH-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cc(C[N@H+]2CCCCC23COC3)n(C)n1 ZINC001205911755 967884121 /nfs/dbraw/zinc/88/41/21/967884121.db2.gz ZTQNYVJTFJYYCH-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1[nH+]ccn1CCNc1cc(C(=O)[O-])cc[nH+]1 ZINC000310620321 967943334 /nfs/dbraw/zinc/94/33/34/967943334.db2.gz AJZSFTBONXRWHV-UHFFFAOYSA-N 1 2 246.270 1.397 20 0 BDADLO CC[C@@H](CO)Nc1cc(C)[nH+]c(SC)n1 ZINC001163043024 967984746 /nfs/dbraw/zinc/98/47/46/967984746.db2.gz LTUPULRFSMKVDL-QMMMGPOBSA-N 1 2 227.333 1.690 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001206082075 968051523 /nfs/dbraw/zinc/05/15/23/968051523.db2.gz XXMOIRSGEXCKGY-JTQLQIEISA-N 1 2 208.261 1.394 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001206082075 968051534 /nfs/dbraw/zinc/05/15/34/968051534.db2.gz XXMOIRSGEXCKGY-JTQLQIEISA-N 1 2 208.261 1.394 20 0 BDADLO COCC[N@H+](CCF)C[C@@](C)(O)C(F)(F)F ZINC000697315327 968056826 /nfs/dbraw/zinc/05/68/26/968056826.db2.gz DDXYZMXTXUZMRL-MRVPVSSYSA-N 1 2 247.232 1.218 20 0 BDADLO COCC[N@@H+](CCF)C[C@@](C)(O)C(F)(F)F ZINC000697315327 968056834 /nfs/dbraw/zinc/05/68/34/968056834.db2.gz DDXYZMXTXUZMRL-MRVPVSSYSA-N 1 2 247.232 1.218 20 0 BDADLO CNc1ccccc1CN1CCn2c[nH+]cc2C1 ZINC001206116664 968071195 /nfs/dbraw/zinc/07/11/95/968071195.db2.gz QTANNBKJDCCUIJ-UHFFFAOYSA-N 1 2 242.326 1.941 20 0 BDADLO CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001064043575 968090547 /nfs/dbraw/zinc/09/05/47/968090547.db2.gz TVAHHQBUFWGJTL-VXGBXAGGSA-N 1 2 248.330 1.502 20 0 BDADLO CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001064043570 968093365 /nfs/dbraw/zinc/09/33/65/968093365.db2.gz TVAHHQBUFWGJTL-NEPJUHHUSA-N 1 2 248.330 1.502 20 0 BDADLO COCCc1[nH]c2cc3c(cc2[nH+]1)OCC(=O)N3 ZINC001250596742 968129974 /nfs/dbraw/zinc/12/99/74/968129974.db2.gz ZXOQZJDUBKTQOT-UHFFFAOYSA-N 1 2 247.254 1.083 20 0 BDADLO O=C1CC[C@@H](CNc2ccn3cc[nH+]c3c2)N1 ZINC001164164825 968181551 /nfs/dbraw/zinc/18/15/51/968181551.db2.gz XRXQGKSMCKBAQH-JTQLQIEISA-N 1 2 230.271 1.025 20 0 BDADLO C[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC001250964723 968226847 /nfs/dbraw/zinc/22/68/47/968226847.db2.gz NJQHOLRJGGBGEZ-CBAPKCEASA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC001250964723 968226857 /nfs/dbraw/zinc/22/68/57/968226857.db2.gz NJQHOLRJGGBGEZ-CBAPKCEASA-N 1 2 239.237 1.211 20 0 BDADLO O[C@H](CNc1cccc2[nH+]c[nH]c21)C(F)(F)F ZINC001250979965 968231384 /nfs/dbraw/zinc/23/13/84/968231384.db2.gz TUUBOTSAOKYMKN-MRVPVSSYSA-N 1 2 245.204 1.898 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC001250973363 968232492 /nfs/dbraw/zinc/23/24/92/968232492.db2.gz WQEZOEABLDVJSX-RKDXNWHRSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC001250973363 968232505 /nfs/dbraw/zinc/23/25/05/968232505.db2.gz WQEZOEABLDVJSX-RKDXNWHRSA-N 1 2 241.253 1.266 20 0 BDADLO CC/C=C\CNC(=O)NCc1ccc[nH+]c1N ZINC001251361928 968282581 /nfs/dbraw/zinc/28/25/81/968282581.db2.gz RWJUUEYKVOVPDQ-ARJAWSKDSA-N 1 2 234.303 1.429 20 0 BDADLO CCN(C)c1cc(N[C@@H](C)CCO)[nH+]cn1 ZINC001165869260 968295862 /nfs/dbraw/zinc/29/58/62/968295862.db2.gz XYRFLUIFEGEAIH-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CCN(C)c1cc(N[C@@H](C)CCO)nc[nH+]1 ZINC001165869260 968295871 /nfs/dbraw/zinc/29/58/71/968295871.db2.gz XYRFLUIFEGEAIH-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO C[C@H](CCO)Nc1[nH+]cccc1[Si](C)(C)C ZINC001165867030 968296969 /nfs/dbraw/zinc/29/69/69/968296969.db2.gz NARRAQITTBEIIM-SNVBAGLBSA-N 1 2 238.407 1.810 20 0 BDADLO NC(=[NH+]OCC[C@@H]1CCOC1)c1ccccc1 ZINC001119339465 968334864 /nfs/dbraw/zinc/33/48/64/968334864.db2.gz CULBBJIHFCZYFF-NSHDSACASA-N 1 2 234.299 1.960 20 0 BDADLO COc1ncccc1C[NH+]1CC2(CSC2)C1 ZINC001206603721 968415734 /nfs/dbraw/zinc/41/57/34/968415734.db2.gz YSKLGPGSKJFSNC-UHFFFAOYSA-N 1 2 236.340 1.639 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001206770635 968466587 /nfs/dbraw/zinc/46/65/87/968466587.db2.gz TULCODSGJFYPED-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001206770635 968466594 /nfs/dbraw/zinc/46/65/94/968466594.db2.gz TULCODSGJFYPED-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001206847604 968496921 /nfs/dbraw/zinc/49/69/21/968496921.db2.gz PAMRPAUPTUVJGA-NEPJUHHUSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001206847604 968496924 /nfs/dbraw/zinc/49/69/24/968496924.db2.gz PAMRPAUPTUVJGA-NEPJUHHUSA-N 1 2 238.306 1.542 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@]12C[C@@H]1CCCC2 ZINC000822066568 968503685 /nfs/dbraw/zinc/50/36/85/968503685.db2.gz HKIJEDJFGLNHGL-GWCFXTLKSA-N 1 2 233.315 1.649 20 0 BDADLO [NH3+][C@@]1(c2nc(-c3ccccc3F)no2)CCOC1 ZINC000085852098 968507307 /nfs/dbraw/zinc/50/73/07/968507307.db2.gz HCFSVIVNNGVYKC-LBPRGKRZSA-N 1 2 249.245 1.450 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001206863525 968509372 /nfs/dbraw/zinc/50/93/72/968509372.db2.gz LRHPMEORBJLKKX-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001206863525 968509378 /nfs/dbraw/zinc/50/93/78/968509378.db2.gz LRHPMEORBJLKKX-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001252119241 968603643 /nfs/dbraw/zinc/60/36/43/968603643.db2.gz VUJPGPZXGHBRML-MNOVXSKESA-N 1 2 231.336 1.469 20 0 BDADLO C[N@H+](Cc1cccc(=O)[nH]1)C1(C)COC1 ZINC001207073955 968603906 /nfs/dbraw/zinc/60/39/06/968603906.db2.gz PGELLAQHJGRXGH-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO C[N@@H+](Cc1cccc(=O)[nH]1)C1(C)COC1 ZINC001207073955 968603911 /nfs/dbraw/zinc/60/39/11/968603911.db2.gz PGELLAQHJGRXGH-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CCc1nccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)n1 ZINC001207092700 968624582 /nfs/dbraw/zinc/62/45/82/968624582.db2.gz OIPNMRLENABXFY-CYBMUJFWSA-N 1 2 249.358 1.896 20 0 BDADLO CCc1nccc(C[N@H+]2CCO[C@@H](C(C)C)C2)n1 ZINC001207092700 968624589 /nfs/dbraw/zinc/62/45/89/968624589.db2.gz OIPNMRLENABXFY-CYBMUJFWSA-N 1 2 249.358 1.896 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ncc(F)cc1F ZINC001207097480 968630245 /nfs/dbraw/zinc/63/02/45/968630245.db2.gz RFROBLPHCXPNPI-PSASIEDQSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ncc(F)cc1F ZINC001207097480 968630253 /nfs/dbraw/zinc/63/02/53/968630253.db2.gz RFROBLPHCXPNPI-PSASIEDQSA-N 1 2 242.269 1.705 20 0 BDADLO CC(C)(O)C[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001252351643 968634697 /nfs/dbraw/zinc/63/46/97/968634697.db2.gz WKOATHFEHOHUBS-QMMMGPOBSA-N 1 2 225.254 1.827 20 0 BDADLO CC(C)(O)C[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001252351643 968634698 /nfs/dbraw/zinc/63/46/98/968634698.db2.gz WKOATHFEHOHUBS-QMMMGPOBSA-N 1 2 225.254 1.827 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2nn(C)cc2C1 ZINC001207145349 968650897 /nfs/dbraw/zinc/65/08/97/968650897.db2.gz AOXYMEOOGMCWCG-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2nn(C)cc2C1 ZINC001207145349 968650905 /nfs/dbraw/zinc/65/09/05/968650905.db2.gz AOXYMEOOGMCWCG-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCc2c(cnn2C)C1 ZINC001207139137 968653464 /nfs/dbraw/zinc/65/34/64/968653464.db2.gz NCPNYWBCFKQALW-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCc2c(cnn2C)C1 ZINC001207139137 968653471 /nfs/dbraw/zinc/65/34/71/968653471.db2.gz NCPNYWBCFKQALW-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1ncccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001207154269 968663016 /nfs/dbraw/zinc/66/30/16/968663016.db2.gz CHWHGVRNYAIUGQ-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1ncccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001207154269 968663023 /nfs/dbraw/zinc/66/30/23/968663023.db2.gz CHWHGVRNYAIUGQ-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C1CCCC1 ZINC001085453536 968726476 /nfs/dbraw/zinc/72/64/76/968726476.db2.gz PLUFEMYZDUXXLC-LBPRGKRZSA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C1CCCC1 ZINC001085453536 968726479 /nfs/dbraw/zinc/72/64/79/968726479.db2.gz PLUFEMYZDUXXLC-LBPRGKRZSA-N 1 2 242.338 1.679 20 0 BDADLO CC1(C)C[C@H](C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CCO1 ZINC001207368637 968742863 /nfs/dbraw/zinc/74/28/63/968742863.db2.gz ZEBOJHBQLVJINC-VWYCJHECSA-N 1 2 239.315 1.191 20 0 BDADLO CC1(C)C[C@H](C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CCO1 ZINC001207368637 968742874 /nfs/dbraw/zinc/74/28/74/968742874.db2.gz ZEBOJHBQLVJINC-VWYCJHECSA-N 1 2 239.315 1.191 20 0 BDADLO CCCCOC[C@H](O)CNc1[nH+]cccc1O ZINC001252501367 968758124 /nfs/dbraw/zinc/75/81/24/968758124.db2.gz LWVUFHHYGLOKJW-SNVBAGLBSA-N 1 2 240.303 1.377 20 0 BDADLO COc1cccc(CC[NH+]2CC(NC(C)=O)C2)c1 ZINC001207431383 968764938 /nfs/dbraw/zinc/76/49/38/968764938.db2.gz PPIFXCPWIBLWJT-UHFFFAOYSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1CC[NH+]1CC(NC(C)=O)C1 ZINC001207456797 968777890 /nfs/dbraw/zinc/77/78/90/968777890.db2.gz WULROBCVHCJYSU-UHFFFAOYSA-N 1 2 248.326 1.058 20 0 BDADLO Cc1cn2c(cccc2NS(C)(=O)=O)[nH+]1 ZINC001252613639 968870573 /nfs/dbraw/zinc/87/05/73/968870573.db2.gz NANCJNCYTOEAQP-UHFFFAOYSA-N 1 2 225.273 1.014 20 0 BDADLO CC[C@@H](C)c1nnc(Cn2cc[nH+]c2)o1 ZINC001324025851 968878823 /nfs/dbraw/zinc/87/88/23/968878823.db2.gz CRQRRNCOBZHUQD-MRVPVSSYSA-N 1 2 206.249 1.828 20 0 BDADLO O[C@@H](CNc1cccc[nH+]1)COCc1ccco1 ZINC001252624209 968885175 /nfs/dbraw/zinc/88/51/75/968885175.db2.gz AKVLHGKWWXDVIM-NSHDSACASA-N 1 2 248.282 1.664 20 0 BDADLO c1cncc(OC2C[NH+](C[C@H]3CCCO3)C2)c1 ZINC001207860923 968906937 /nfs/dbraw/zinc/90/69/37/968906937.db2.gz ITARUIOCLXZCIJ-GFCCVEGCSA-N 1 2 234.299 1.324 20 0 BDADLO c1ccc([C@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)nc1 ZINC001207887449 968914941 /nfs/dbraw/zinc/91/49/41/968914941.db2.gz JHBGHCPBQXOTSK-GXTWGEPZSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)nc1 ZINC001207887449 968914946 /nfs/dbraw/zinc/91/49/46/968914946.db2.gz JHBGHCPBQXOTSK-GXTWGEPZSA-N 1 2 248.326 1.634 20 0 BDADLO CC(=O)NC1C[NH+](CCc2cccc(F)c2)C1 ZINC001208197835 969125334 /nfs/dbraw/zinc/12/53/34/969125334.db2.gz VREQZEWOGYCOHN-UHFFFAOYSA-N 1 2 236.290 1.189 20 0 BDADLO O[C@H]1CCOc2ccc(-c3[nH]cc[nH+]3)cc21 ZINC001242018862 969172007 /nfs/dbraw/zinc/17/20/07/969172007.db2.gz ZIMKRRVFOAMXAK-JTQLQIEISA-N 1 2 216.240 1.893 20 0 BDADLO CC(C)(C)OC[C@H](O)CNc1cccc[nH+]1 ZINC001253437887 969174638 /nfs/dbraw/zinc/17/46/38/969174638.db2.gz IASCEAGYBHJSHV-SNVBAGLBSA-N 1 2 224.304 1.670 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2ncn(C)c2n1 ZINC001242070602 969196263 /nfs/dbraw/zinc/19/62/63/969196263.db2.gz FHNQVHSOVBAGBS-UHFFFAOYSA-N 1 2 240.270 1.316 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc2nccnc21 ZINC001242070685 969196310 /nfs/dbraw/zinc/19/63/10/969196310.db2.gz JHDUAEBIDFAVFI-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1Cc2cccnc2C1 ZINC001208713250 969200691 /nfs/dbraw/zinc/20/06/91/969200691.db2.gz YALGSWJATPVZHE-VIFPVBQESA-N 1 2 220.272 1.206 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1Cc2cccnc2C1 ZINC001208713250 969200693 /nfs/dbraw/zinc/20/06/93/969200693.db2.gz YALGSWJATPVZHE-VIFPVBQESA-N 1 2 220.272 1.206 20 0 BDADLO CCCCC[C@@H](O)C[N@@H+]1CC[C@H]1C(=O)OC ZINC001253525738 969201550 /nfs/dbraw/zinc/20/15/50/969201550.db2.gz QPYZBCBGTMFBSH-MNOVXSKESA-N 1 2 229.320 1.175 20 0 BDADLO CCCCC[C@@H](O)C[N@H+]1CC[C@H]1C(=O)OC ZINC001253525738 969201552 /nfs/dbraw/zinc/20/15/52/969201552.db2.gz QPYZBCBGTMFBSH-MNOVXSKESA-N 1 2 229.320 1.175 20 0 BDADLO Cc1cc2cc(NCCn3cnnc3)[nH+]cc2[nH]1 ZINC001168870763 969240246 /nfs/dbraw/zinc/24/02/46/969240246.db2.gz CAKLSTJSESZZSZ-UHFFFAOYSA-N 1 2 242.286 1.575 20 0 BDADLO COc1cccc2c(NCCC(N)=O)cc[nH+]c12 ZINC001168962523 969312878 /nfs/dbraw/zinc/31/28/78/969312878.db2.gz QVINBXVXGQVGEC-UHFFFAOYSA-N 1 2 245.282 1.531 20 0 BDADLO CC(C)(C)[C@H](O)C[NH+]1CC(F)(C2CC2)C1 ZINC001253715278 969340582 /nfs/dbraw/zinc/34/05/82/969340582.db2.gz HZLHOJGSIRVSQQ-SNVBAGLBSA-N 1 2 215.312 1.827 20 0 BDADLO CC(C)c1nc(C[NH2+]C[C@@H](O)C(C)(C)C)no1 ZINC001253739547 969358757 /nfs/dbraw/zinc/35/87/57/969358757.db2.gz FVELBFXXBROVGQ-SECBINFHSA-N 1 2 241.335 1.690 20 0 BDADLO CSc1cc(NCC2OCCO2)nc(C)[nH+]1 ZINC001169059998 969371360 /nfs/dbraw/zinc/37/13/60/969371360.db2.gz KGTVQJRXDNRSHZ-UHFFFAOYSA-N 1 2 241.316 1.292 20 0 BDADLO CC(=O)OC1C[NH+](CCc2cccs2)C1 ZINC001209225141 969412076 /nfs/dbraw/zinc/41/20/76/969412076.db2.gz SEAAIOQFYTZIKE-UHFFFAOYSA-N 1 2 225.313 1.538 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209413708 969483902 /nfs/dbraw/zinc/48/39/02/969483902.db2.gz DWJUVXFBZSTWJN-OPRDCNLKSA-N 1 2 219.275 1.592 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209413708 969483911 /nfs/dbraw/zinc/48/39/11/969483911.db2.gz DWJUVXFBZSTWJN-OPRDCNLKSA-N 1 2 219.275 1.592 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC001209551085 969537424 /nfs/dbraw/zinc/53/74/24/969537424.db2.gz CENLNTQZQXPFSK-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC001209551085 969537427 /nfs/dbraw/zinc/53/74/27/969537427.db2.gz CENLNTQZQXPFSK-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO c1cn2c([nH+]1)CCN(Cc1cncs1)CC2 ZINC001209549790 969538840 /nfs/dbraw/zinc/53/88/40/969538840.db2.gz KPIPYRMQEFSVJE-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO Nc1cn2ccc(N[C@H]3CCC[C@@H](O)C3)cc2[nH+]1 ZINC001169250417 969539131 /nfs/dbraw/zinc/53/91/31/969539131.db2.gz FLUFOPOTMNVEQJ-GXSJLCMTSA-N 1 2 246.314 1.632 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209568181 969549819 /nfs/dbraw/zinc/54/98/19/969549819.db2.gz DJNVIKGZDOLFDD-LBPRGKRZSA-N 1 2 236.315 1.851 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)[nH]1 ZINC001209568181 969549827 /nfs/dbraw/zinc/54/98/27/969549827.db2.gz DJNVIKGZDOLFDD-LBPRGKRZSA-N 1 2 236.315 1.851 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209570300 969552930 /nfs/dbraw/zinc/55/29/30/969552930.db2.gz NLMSGSWWPLJREK-CYBMUJFWSA-N 1 2 236.315 1.851 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C)[nH]1 ZINC001209570300 969552934 /nfs/dbraw/zinc/55/29/34/969552934.db2.gz NLMSGSWWPLJREK-CYBMUJFWSA-N 1 2 236.315 1.851 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)C[C@H]2C)[nH]1 ZINC001209570308 969555403 /nfs/dbraw/zinc/55/54/03/969555403.db2.gz NSNOFCNHDNGQBF-SNVBAGLBSA-N 1 2 206.289 1.877 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)[nH]1 ZINC001209570308 969555408 /nfs/dbraw/zinc/55/54/08/969555408.db2.gz NSNOFCNHDNGQBF-SNVBAGLBSA-N 1 2 206.289 1.877 20 0 BDADLO COC(=O)C[NH2+]C1CCc2ccccc2CC1 ZINC001254450350 969643214 /nfs/dbraw/zinc/64/32/14/969643214.db2.gz ODQFBJGDIQYIRH-UHFFFAOYSA-N 1 2 233.311 1.697 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccc2cnoc2c1 ZINC001169654092 969801993 /nfs/dbraw/zinc/80/19/93/969801993.db2.gz ONMDWAIOZMDGEG-GFCCVEGCSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccc2cnoc2c1 ZINC001169654092 969801986 /nfs/dbraw/zinc/80/19/86/969801986.db2.gz ONMDWAIOZMDGEG-GFCCVEGCSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cccc2c1CC=C2 ZINC001169658558 969803440 /nfs/dbraw/zinc/80/34/40/969803440.db2.gz YIKVZRBKARRHGX-CYBMUJFWSA-N 1 2 244.338 1.998 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cccc2c1CC=C2 ZINC001169658558 969803443 /nfs/dbraw/zinc/80/34/43/969803443.db2.gz YIKVZRBKARRHGX-CYBMUJFWSA-N 1 2 244.338 1.998 20 0 BDADLO CC1(C)CC[C@@H](COCC[NH+]2CCOCC2)O1 ZINC001210190867 969825804 /nfs/dbraw/zinc/82/58/04/969825804.db2.gz AFUQGACDLPHMPX-LBPRGKRZSA-N 1 2 243.347 1.293 20 0 BDADLO COc1ncc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210286690 969854147 /nfs/dbraw/zinc/85/41/47/969854147.db2.gz DEMQHMOJONYSKD-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO Cc1noc(Nc2c[nH+]c(C)c(N)c2)c1C(N)=O ZINC001210287447 969854507 /nfs/dbraw/zinc/85/45/07/969854507.db2.gz UPZDHBDMXXDATE-UHFFFAOYSA-N 1 2 247.258 1.111 20 0 BDADLO Cc1[nH+]cc(Nc2ncc(F)cc2N)cc1N ZINC001210287657 969854756 /nfs/dbraw/zinc/85/47/56/969854756.db2.gz YYXYCAFOZDOBTE-UHFFFAOYSA-N 1 2 233.250 1.832 20 0 BDADLO Cc1[nH+]cc(Nc2cn(CCF)cn2)cc1N ZINC001210288232 969856909 /nfs/dbraw/zinc/85/69/09/969856909.db2.gz FEFKHFOACYXLMY-UHFFFAOYSA-N 1 2 235.266 1.882 20 0 BDADLO CCOC(=O)C1([NH2+]C2CCOCC2)CCC1 ZINC001255033663 969858001 /nfs/dbraw/zinc/85/80/01/969858001.db2.gz SPPZOYNIWJVSAF-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO CCCCCOC(=O)C[NH2+]C1CCOCC1 ZINC001255037362 969858669 /nfs/dbraw/zinc/85/86/69/969858669.db2.gz ZYNILQQQGXIUQF-UHFFFAOYSA-N 1 2 229.320 1.488 20 0 BDADLO Cn1ccc(Nc2cccn3cc[nH+]c23)n1 ZINC001210347438 969873446 /nfs/dbraw/zinc/87/34/46/969873446.db2.gz HYDHGZJASJOVOE-UHFFFAOYSA-N 1 2 213.244 1.811 20 0 BDADLO Nc1cc(F)ccc1C(=O)NCCn1cc[nH+]c1 ZINC000062823234 969878587 /nfs/dbraw/zinc/87/85/87/969878587.db2.gz XNPKASPKTWNNEL-UHFFFAOYSA-N 1 2 248.261 1.034 20 0 BDADLO C(C[NH+]1CCOCC1)c1nnc(C2CCC2)o1 ZINC001255150314 969952338 /nfs/dbraw/zinc/95/23/38/969952338.db2.gz KQXVOMOCLRJJDC-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO c1nc2c(s1)C[N@@H+]([C@H]1CCSC1)C2 ZINC001255294990 970057070 /nfs/dbraw/zinc/05/70/70/970057070.db2.gz QMLHIYIEZDRBCR-ZETCQYMHSA-N 1 2 212.343 1.964 20 0 BDADLO c1nc2c(s1)C[N@H+]([C@H]1CCSC1)C2 ZINC001255294990 970057082 /nfs/dbraw/zinc/05/70/82/970057082.db2.gz QMLHIYIEZDRBCR-ZETCQYMHSA-N 1 2 212.343 1.964 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001170105553 970303848 /nfs/dbraw/zinc/30/38/48/970303848.db2.gz RMNQPJGQJILQBB-NXEZZACHSA-N 1 2 211.305 1.860 20 0 BDADLO Nc1ccnn1-c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085782 970272582 /nfs/dbraw/zinc/27/25/82/970272582.db2.gz WXVZVRZMHLOGDQ-UHFFFAOYSA-N 1 2 225.255 1.845 20 0 BDADLO COc1cccc(-c2ccn3cc(N)[nH+]c3c2)n1 ZINC001243098577 970326847 /nfs/dbraw/zinc/32/68/47/970326847.db2.gz RXKWCVJKEOUWNE-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO Cc1cc(C)c(Nc2cnc(C(N)=O)cn2)c[nH+]1 ZINC001213507988 970334498 /nfs/dbraw/zinc/33/44/98/970334498.db2.gz IVDZEQTVBHWHEB-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H](C)COC ZINC001255560545 970342286 /nfs/dbraw/zinc/34/22/86/970342286.db2.gz GYKGBIZWOUSMMZ-JQWIXIFHSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1c[nH+]cc(Nc2c(N)cnn2CCO)c1C ZINC001213525163 970344643 /nfs/dbraw/zinc/34/46/43/970344643.db2.gz OTSSOTIBYSXABH-UHFFFAOYSA-N 1 2 247.302 1.213 20 0 BDADLO Cc1cnn(CCO)c1Nc1c[nH+]cc(C)c1C ZINC001213528336 970356863 /nfs/dbraw/zinc/35/68/63/970356863.db2.gz AYKNHWCIXMSREA-UHFFFAOYSA-N 1 2 246.314 1.939 20 0 BDADLO c1cn(Cc2nnc(C3CCOCC3)o2)c[nH+]1 ZINC001255644595 970418164 /nfs/dbraw/zinc/41/81/64/970418164.db2.gz UQRYUIPMJQBRRW-UHFFFAOYSA-N 1 2 234.259 1.208 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC2(F)F)CCO1 ZINC001170164302 970517212 /nfs/dbraw/zinc/51/72/12/970517212.db2.gz HPYITBDKUPOBCE-IWSPIJDZSA-N 1 2 205.248 1.941 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@@H+]1[C@@H]1CC[C@@H](C)C1 ZINC001170161156 970504335 /nfs/dbraw/zinc/50/43/35/970504335.db2.gz LPJGMXOOHZTMFP-WZRBSPASSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@H+]1[C@@H]1CC[C@@H](C)C1 ZINC001170161156 970504342 /nfs/dbraw/zinc/50/43/42/970504342.db2.gz LPJGMXOOHZTMFP-WZRBSPASSA-N 1 2 241.331 1.439 20 0 BDADLO CNc1cc(N2CCC3(CC3)C2)nc[nH+]1 ZINC000400059500 970544875 /nfs/dbraw/zinc/54/48/75/970544875.db2.gz YQJLCBCWPRKCIR-UHFFFAOYSA-N 1 2 204.277 1.509 20 0 BDADLO CNc1cc(N2CCC3(CC3)C2)[nH+]cn1 ZINC000400059500 970544883 /nfs/dbraw/zinc/54/48/83/970544883.db2.gz YQJLCBCWPRKCIR-UHFFFAOYSA-N 1 2 204.277 1.509 20 0 BDADLO CCn1ncnc1CSCCn1cc[nH+]c1 ZINC001256059986 970627420 /nfs/dbraw/zinc/62/74/20/970627420.db2.gz RWUKONZAYLAISA-UHFFFAOYSA-N 1 2 237.332 1.428 20 0 BDADLO CC[NH2+]Cc1noc(CC2(COC)CC2)n1 ZINC000401305804 970677068 /nfs/dbraw/zinc/67/70/68/970677068.db2.gz MVAXKRGOALWMIP-UHFFFAOYSA-N 1 2 225.292 1.148 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000401504260 970698799 /nfs/dbraw/zinc/69/87/99/970698799.db2.gz QSATWIXIXCNPGW-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000401504260 970698807 /nfs/dbraw/zinc/69/88/07/970698807.db2.gz QSATWIXIXCNPGW-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3[nH]ncc32)CO1 ZINC000401700365 970720384 /nfs/dbraw/zinc/72/03/84/970720384.db2.gz ZBKIAAMFMNZEDL-KOLCDFICSA-N 1 2 235.331 1.944 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3[nH]ncc32)CO1 ZINC000402132140 970762116 /nfs/dbraw/zinc/76/21/16/970762116.db2.gz JQBZZWFAXJQMLA-KKZNHRDASA-N 1 2 221.304 1.554 20 0 BDADLO CCOC(=O)[C@H]1C[C@@H](OCc2c[nH+]cn2C)C1 ZINC001222600473 972600726 /nfs/dbraw/zinc/60/07/26/972600726.db2.gz QJCOGKVZUXWNAA-JGZJWPJOSA-N 1 2 238.287 1.278 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001276834299 972670233 /nfs/dbraw/zinc/67/02/33/972670233.db2.gz KJTABJLIWSANPR-GHMZBOCLSA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001276834299 972670242 /nfs/dbraw/zinc/67/02/42/972670242.db2.gz KJTABJLIWSANPR-GHMZBOCLSA-N 1 2 230.327 1.583 20 0 BDADLO C[C@H](C(=O)N1CC(C2CC2)C1)n1cc[nH+]c1 ZINC001327625040 972676891 /nfs/dbraw/zinc/67/68/91/972676891.db2.gz LYOOVSHKCKIIND-SECBINFHSA-N 1 2 219.288 1.313 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cnon1 ZINC001327871226 972773042 /nfs/dbraw/zinc/77/30/42/972773042.db2.gz XQRNMPHPPJDBSE-GFCCVEGCSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cnon1 ZINC001327871226 972773050 /nfs/dbraw/zinc/77/30/50/972773050.db2.gz XQRNMPHPPJDBSE-GFCCVEGCSA-N 1 2 232.287 1.745 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC001327992278 972843149 /nfs/dbraw/zinc/84/31/49/972843149.db2.gz BWVURHMJZJJRTR-ZJUUUORDSA-N 1 2 221.304 1.606 20 0 BDADLO Oc1cc(F)c(C[NH+]2CCC(O)CC2)c(F)c1 ZINC001144542186 972860616 /nfs/dbraw/zinc/86/06/16/972860616.db2.gz RLNKGMVPVQZEJY-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144611941 972890783 /nfs/dbraw/zinc/89/07/83/972890783.db2.gz XTEHGHGRKHXVAG-GFCCVEGCSA-N 1 2 245.326 1.539 20 0 BDADLO C[C@H]1CN(Cc2[nH+]cn3ccccc23)C[C@H]1O ZINC001144615455 972893658 /nfs/dbraw/zinc/89/36/58/972893658.db2.gz ILJFAAFERJGPFX-GXFFZTMASA-N 1 2 231.299 1.147 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)c(O)cc1F ZINC001144647430 972904019 /nfs/dbraw/zinc/90/40/19/972904019.db2.gz FROLMTFGWFFZFD-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)c(O)cc1F ZINC001144647430 972904041 /nfs/dbraw/zinc/90/40/41/972904041.db2.gz FROLMTFGWFFZFD-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO Cc1ccc(OCCC(=O)NC2C[NH+](C)C2)cc1 ZINC001144760669 972986013 /nfs/dbraw/zinc/98/60/13/972986013.db2.gz QEICNCHQBGPVOS-UHFFFAOYSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cc(CO[C@H]2CCOC2=O)cc(C)[nH+]1 ZINC001223420057 973053335 /nfs/dbraw/zinc/05/33/35/973053335.db2.gz HGYRADIOFXAFGZ-NSHDSACASA-N 1 2 221.256 1.531 20 0 BDADLO C[C@H](C(=O)NCC[C@H]1CC1(F)F)n1cc[nH+]c1 ZINC001328595164 973180212 /nfs/dbraw/zinc/18/02/12/973180212.db2.gz PVUVDEQIWXECMG-BDAKNGLRSA-N 1 2 243.257 1.606 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C2=CCCCC2)[nH+]1 ZINC001146723715 973227362 /nfs/dbraw/zinc/22/73/62/973227362.db2.gz PNUAXJAXJAOJAY-UHFFFAOYSA-N 1 2 233.315 1.877 20 0 BDADLO CC(=O)Oc1ccccc1COC1C[NH+](C)C1 ZINC001224038226 973423413 /nfs/dbraw/zinc/42/34/13/973423413.db2.gz JELWGSLXJXHITB-UHFFFAOYSA-N 1 2 235.283 1.443 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC001329089932 973470768 /nfs/dbraw/zinc/47/07/68/973470768.db2.gz VOKFKBMVAZDQFD-BDAKNGLRSA-N 1 2 233.275 1.045 20 0 BDADLO O=C1[C@@H]([N@@H+]2Cc3ccncc3C2)CCN1C1CC1 ZINC001329106085 973484703 /nfs/dbraw/zinc/48/47/03/973484703.db2.gz KURYDWWJJJZUEP-ZDUSSCGKSA-N 1 2 243.310 1.161 20 0 BDADLO O=C1[C@@H]([N@H+]2Cc3ccncc3C2)CCN1C1CC1 ZINC001329106085 973484712 /nfs/dbraw/zinc/48/47/12/973484712.db2.gz KURYDWWJJJZUEP-ZDUSSCGKSA-N 1 2 243.310 1.161 20 0 BDADLO C[C@H](CC(C)(C)O)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329286277 973643690 /nfs/dbraw/zinc/64/36/90/973643690.db2.gz AMXNUQIZKGRFFF-NXEZZACHSA-N 1 2 239.319 1.110 20 0 BDADLO Cn1cnnc1C[NH2+][C@@H]1CCCc2ncccc21 ZINC001329296895 973650566 /nfs/dbraw/zinc/65/05/66/973650566.db2.gz CKJBIHKJVHLZAS-GFCCVEGCSA-N 1 2 243.314 1.377 20 0 BDADLO CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001329374041 973716537 /nfs/dbraw/zinc/71/65/37/973716537.db2.gz ZHOQOFWQCXZAGU-SCZZXKLOSA-N 1 2 239.319 1.500 20 0 BDADLO CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001329374041 973716547 /nfs/dbraw/zinc/71/65/47/973716547.db2.gz ZHOQOFWQCXZAGU-SCZZXKLOSA-N 1 2 239.319 1.500 20 0 BDADLO COc1cc(F)cc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000128311795 973796268 /nfs/dbraw/zinc/79/62/68/973796268.db2.gz RWWRILWUEYSRCB-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO O=C(NCC1([NH2+]Cc2ccon2)CC1)C1CCC1 ZINC001276992716 973891034 /nfs/dbraw/zinc/89/10/34/973891034.db2.gz ZWANKULYBUCZRX-UHFFFAOYSA-N 1 2 249.314 1.213 20 0 BDADLO CCCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000585415539 973910785 /nfs/dbraw/zinc/91/07/85/973910785.db2.gz WGAZZBHJXRYYPX-UHFFFAOYSA-N 1 2 208.309 1.779 20 0 BDADLO CCCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000585415539 973910802 /nfs/dbraw/zinc/91/08/02/973910802.db2.gz WGAZZBHJXRYYPX-UHFFFAOYSA-N 1 2 208.309 1.779 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC001329857495 973977280 /nfs/dbraw/zinc/97/72/80/973977280.db2.gz LYWMZBVCYVEVFN-GWOFURMSSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC001329857495 973977298 /nfs/dbraw/zinc/97/72/98/973977298.db2.gz LYWMZBVCYVEVFN-GWOFURMSSA-N 1 2 249.314 1.054 20 0 BDADLO C[N@@H+]1CCC12CN(c1c(F)cccc1F)C2 ZINC001277000643 974015412 /nfs/dbraw/zinc/01/54/12/974015412.db2.gz JYTBJTHKOFMQEL-UHFFFAOYSA-N 1 2 224.254 1.859 20 0 BDADLO C[N@H+]1CCC12CN(c1c(F)cccc1F)C2 ZINC001277000643 974015425 /nfs/dbraw/zinc/01/54/25/974015425.db2.gz JYTBJTHKOFMQEL-UHFFFAOYSA-N 1 2 224.254 1.859 20 0 BDADLO Cc1nc(NCCNC(=O)[C@H]2CC2(C)C)cc[nH+]1 ZINC001093586130 974029955 /nfs/dbraw/zinc/02/99/55/974029955.db2.gz ODSUDRIQWISMSS-SNVBAGLBSA-N 1 2 248.330 1.359 20 0 BDADLO Cc1ocnc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001330212699 974163381 /nfs/dbraw/zinc/16/33/81/974163381.db2.gz CMHXFEUYLXMFOX-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1ocnc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001330212699 974163403 /nfs/dbraw/zinc/16/34/03/974163403.db2.gz CMHXFEUYLXMFOX-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO CSC[C@@H]1CCC[N@@H+]1Cc1nnc[nH]1 ZINC001330546449 974302056 /nfs/dbraw/zinc/30/20/56/974302056.db2.gz GOQCHPPKUOQRSY-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO CSC[C@@H]1CCC[N@H+]1Cc1nnc[nH]1 ZINC001330546449 974302067 /nfs/dbraw/zinc/30/20/67/974302067.db2.gz GOQCHPPKUOQRSY-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO CC[NH+]1CC(Oc2ccc(Cl)cn2)C1 ZINC001225273078 974336418 /nfs/dbraw/zinc/33/64/18/974336418.db2.gz GVYDMEXWCXJAQT-UHFFFAOYSA-N 1 2 212.680 1.818 20 0 BDADLO O=C1CC[C@H]2C[C@H]([N@@H+]3CCC(F)(F)C3)CCN12 ZINC001172165919 974428432 /nfs/dbraw/zinc/42/84/32/974428432.db2.gz KWBWUYOHGYUJDO-ZJUUUORDSA-N 1 2 244.285 1.481 20 0 BDADLO O=C1CC[C@H]2C[C@H]([N@H+]3CCC(F)(F)C3)CCN12 ZINC001172165919 974428436 /nfs/dbraw/zinc/42/84/36/974428436.db2.gz KWBWUYOHGYUJDO-ZJUUUORDSA-N 1 2 244.285 1.481 20 0 BDADLO C[NH+]1CC(Oc2ccccc2-c2cc[nH]n2)C1 ZINC001225362429 974445049 /nfs/dbraw/zinc/44/50/49/974445049.db2.gz KLNXGYYJXDTZEC-UHFFFAOYSA-N 1 2 229.283 1.770 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+]([C@H]1COC(C)(C)C1)C2 ZINC001172293933 974561275 /nfs/dbraw/zinc/56/12/75/974561275.db2.gz YWLPTIRQAYZVPA-SNVBAGLBSA-N 1 2 236.315 1.909 20 0 BDADLO Cc1nc2c(o1)CC[N@H+]([C@H]1COC(C)(C)C1)C2 ZINC001172293933 974561280 /nfs/dbraw/zinc/56/12/80/974561280.db2.gz YWLPTIRQAYZVPA-SNVBAGLBSA-N 1 2 236.315 1.909 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]1C(=O)OC ZINC001172332569 974594012 /nfs/dbraw/zinc/59/40/12/974594012.db2.gz UDSLHHRSAHWDOF-UTUOFQBUSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]1C(=O)OC ZINC001172332569 974594004 /nfs/dbraw/zinc/59/40/04/974594004.db2.gz UDSLHHRSAHWDOF-UTUOFQBUSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)[NH+]1CC(OC(C)=O)C1 ZINC001172340567 974609249 /nfs/dbraw/zinc/60/92/49/974609249.db2.gz KNQSWSQCQZMUJF-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cccc(F)c2F)C1 ZINC001225924050 974732842 /nfs/dbraw/zinc/73/28/42/974732842.db2.gz JGSAGMVSMNGJRU-VIFPVBQESA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cccc(F)c2F)C1 ZINC001225924050 974732847 /nfs/dbraw/zinc/73/28/47/974732847.db2.gz JGSAGMVSMNGJRU-VIFPVBQESA-N 1 2 243.253 1.674 20 0 BDADLO CC(C)(CF)NC(=O)c1cccc2[nH+]ccn21 ZINC001331607771 974775304 /nfs/dbraw/zinc/77/53/04/974775304.db2.gz JFDARTFVPUSRAL-UHFFFAOYSA-N 1 2 235.262 1.812 20 0 BDADLO C[C@@H](C(=O)N(C1CC1)C1CC1)n1cc[nH+]c1 ZINC001331808866 974825885 /nfs/dbraw/zinc/82/58/85/974825885.db2.gz JDWQFCPZIANGGX-VIFPVBQESA-N 1 2 219.288 1.598 20 0 BDADLO C[NH+]1CC(Oc2nncc3ccccc32)C1 ZINC001226389729 974876281 /nfs/dbraw/zinc/87/62/81/974876281.db2.gz ILIMCUCCNZXDCK-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO CC[NH+]1CC(Oc2ccc(Cl)nn2)C1 ZINC001226454819 974905999 /nfs/dbraw/zinc/90/59/99/974905999.db2.gz XVYDDEQCTQTHHE-UHFFFAOYSA-N 1 2 213.668 1.213 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C(=O)OC)cc2C)C1 ZINC001226491081 974925932 /nfs/dbraw/zinc/92/59/32/974925932.db2.gz JOHZZQUSMXNQJL-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO Cc1[nH]nc(O[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001226512850 974937817 /nfs/dbraw/zinc/93/78/17/974937817.db2.gz UPYLWDIRYIZBJP-VIFPVBQESA-N 1 2 239.319 1.126 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1F)n1cc[nH+]c1 ZINC001332187819 974998357 /nfs/dbraw/zinc/99/83/57/974998357.db2.gz PTGJVYHTOXPPLR-GARJFASQSA-N 1 2 239.294 1.841 20 0 BDADLO Cc1[nH]c2ccc(-n3ccc(=O)c(N)c3)cc2[nH+]1 ZINC001213071577 975008113 /nfs/dbraw/zinc/00/81/13/975008113.db2.gz YQCKZGPLYOQBGF-UHFFFAOYSA-N 1 2 240.266 1.604 20 0 BDADLO CCSC[C@@H](C)[NH2+]CC(F)(F)CO ZINC001173295169 975178419 /nfs/dbraw/zinc/17/84/19/975178419.db2.gz LWNZFMFYUJGUJX-SSDOTTSWSA-N 1 2 213.293 1.345 20 0 BDADLO CC[C@@H]1CC[C@@H]([NH+]2CC(F)(CO)C2)C1 ZINC001173272950 975151021 /nfs/dbraw/zinc/15/10/21/975151021.db2.gz LLUNSFOKOLAEBK-NXEZZACHSA-N 1 2 201.285 1.581 20 0 BDADLO CC[C@H]1CC[C@@H]([NH+]2CC(F)(CO)C2)C1 ZINC001173272952 975151801 /nfs/dbraw/zinc/15/18/01/975151801.db2.gz LLUNSFOKOLAEBK-VHSXEESVSA-N 1 2 201.285 1.581 20 0 BDADLO O=C1CC2(CCC2)N1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001332538909 975204406 /nfs/dbraw/zinc/20/44/06/975204406.db2.gz IRDJSUHKVWJJLS-DTORHVGOSA-N 1 2 242.269 1.296 20 0 BDADLO O=C1CC2(CCC2)N1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001332538909 975204414 /nfs/dbraw/zinc/20/44/14/975204414.db2.gz IRDJSUHKVWJJLS-DTORHVGOSA-N 1 2 242.269 1.296 20 0 BDADLO CCSC[C@@H](C)[NH2+]C(C)(C)C(=O)OC ZINC001173287593 975249608 /nfs/dbraw/zinc/24/96/08/975249608.db2.gz NORPGHLAGZEGBK-MRVPVSSYSA-N 1 2 219.350 1.669 20 0 BDADLO CC[C@@H]1CC[C@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001173287537 975251931 /nfs/dbraw/zinc/25/19/31/975251931.db2.gz KPQHAFCOZNUPTH-ZJUUUORDSA-N 1 2 231.361 1.294 20 0 BDADLO Cc1cccc([C@H](O)C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001332937230 975328700 /nfs/dbraw/zinc/32/87/00/975328700.db2.gz KCGASGGHEJJUSN-IUODEOHRSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1cccc([C@H](O)C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001332937230 975328710 /nfs/dbraw/zinc/32/87/10/975328710.db2.gz KCGASGGHEJJUSN-IUODEOHRSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1nnsc1[C@H](C)N1CCn2c[nH+]cc2C1 ZINC001333051616 975387309 /nfs/dbraw/zinc/38/73/09/975387309.db2.gz SFUJMLMFARGWMI-VIFPVBQESA-N 1 2 249.343 1.620 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)cc(O)c2)C1 ZINC001227468240 975450895 /nfs/dbraw/zinc/45/08/95/975450895.db2.gz YUMFFKFSDJVSBA-UHFFFAOYSA-N 1 2 207.273 1.784 20 0 BDADLO CC[NH+]1CC(Oc2ccccc2C(=O)OC)C1 ZINC001227594345 975570994 /nfs/dbraw/zinc/57/09/94/975570994.db2.gz AJBSVRAJVYXTBD-UHFFFAOYSA-N 1 2 235.283 1.556 20 0 BDADLO CCn1nccc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001333308847 975640684 /nfs/dbraw/zinc/64/06/84/975640684.db2.gz ZZBFSBNANIHIEC-MWLCHTKSSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1cc(=O)[nH]nc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001227800496 975703624 /nfs/dbraw/zinc/70/36/24/975703624.db2.gz DQEIJQIDOYVJCY-SECBINFHSA-N 1 2 246.270 1.081 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1C ZINC001333465053 975794512 /nfs/dbraw/zinc/79/45/12/975794512.db2.gz DQMRXVNGXSOMEU-XCBNKYQSSA-N 1 2 246.318 1.414 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCn2cnnc2[C@H]1C ZINC001333463144 975794741 /nfs/dbraw/zinc/79/47/41/975794741.db2.gz VAHNXDCCBHYVOP-LLMHMKPQSA-N 1 2 236.319 1.247 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCn2cnnc2[C@H]1C ZINC001333463144 975794758 /nfs/dbraw/zinc/79/47/58/975794758.db2.gz VAHNXDCCBHYVOP-LLMHMKPQSA-N 1 2 236.319 1.247 20 0 BDADLO CC[NH+]1CC(Oc2cccc(Cl)n2)C1 ZINC001227928821 975799709 /nfs/dbraw/zinc/79/97/09/975799709.db2.gz HYRMYSNMYNDFEL-UHFFFAOYSA-N 1 2 212.680 1.818 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)o1 ZINC001333499847 975815707 /nfs/dbraw/zinc/81/57/07/975815707.db2.gz LFPDAMBSELXOMM-SNVBAGLBSA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)o1 ZINC001333499847 975815710 /nfs/dbraw/zinc/81/57/10/975815710.db2.gz LFPDAMBSELXOMM-SNVBAGLBSA-N 1 2 235.287 1.548 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCCC(F)F ZINC001333513602 975826240 /nfs/dbraw/zinc/82/62/40/975826240.db2.gz CXUVVUIVBHIGSJ-UHFFFAOYSA-N 1 2 246.261 1.265 20 0 BDADLO CCOCc1ccc(OC2C[NH+](C)C2)cc1 ZINC001227989428 975835474 /nfs/dbraw/zinc/83/54/74/975835474.db2.gz LAXMBDZRXXWALI-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO C[C@H]1CSCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001333569801 975857935 /nfs/dbraw/zinc/85/79/35/975857935.db2.gz WQLKSTCOCZDFFO-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO c1nnc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001333588290 975870398 /nfs/dbraw/zinc/87/03/98/975870398.db2.gz VJZVUYKBRBOHBD-VHSXEESVSA-N 1 2 238.360 1.665 20 0 BDADLO c1nnc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001333588290 975870402 /nfs/dbraw/zinc/87/04/02/975870402.db2.gz VJZVUYKBRBOHBD-VHSXEESVSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001333588290 975870406 /nfs/dbraw/zinc/87/04/06/975870406.db2.gz VJZVUYKBRBOHBD-VHSXEESVSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001333588290 975870413 /nfs/dbraw/zinc/87/04/13/975870413.db2.gz VJZVUYKBRBOHBD-VHSXEESVSA-N 1 2 238.360 1.665 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1cc(CO)on1 ZINC001333597254 975879184 /nfs/dbraw/zinc/87/91/84/975879184.db2.gz NRTRNZOPRRPHAD-RKDXNWHRSA-N 1 2 235.287 1.907 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC001333704266 976011997 /nfs/dbraw/zinc/01/19/97/976011997.db2.gz VGSXMRVGBZMBJL-NSHDSACASA-N 1 2 222.288 1.251 20 0 BDADLO Cc1coc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC001333704266 976012016 /nfs/dbraw/zinc/01/20/16/976012016.db2.gz VGSXMRVGBZMBJL-NSHDSACASA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ocnc2C)o1 ZINC001333720096 976026025 /nfs/dbraw/zinc/02/60/25/976026025.db2.gz UXLBROZRZMBYKG-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)nc1C ZINC001228298043 976079079 /nfs/dbraw/zinc/07/90/79/976079079.db2.gz FMVAJCSLOOGQIN-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)nc1C ZINC001228298043 976079094 /nfs/dbraw/zinc/07/90/94/976079094.db2.gz FMVAJCSLOOGQIN-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc(NC)nc[nH+]2)C1 ZINC001333805831 976099212 /nfs/dbraw/zinc/09/92/12/976099212.db2.gz BQYYGPILVZZSHG-DTORHVGOSA-N 1 2 222.292 1.498 20 0 BDADLO COc1ccc(C[NH2+]Cc2snnc2C)o1 ZINC001333823770 976108696 /nfs/dbraw/zinc/10/86/96/976108696.db2.gz UNMCQMLSLTYCEX-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO CCOc1ccc(OC2C[NH+](C)C2)cc1F ZINC001228354648 976135815 /nfs/dbraw/zinc/13/58/15/976135815.db2.gz PKKQDUQIYDPRAS-UHFFFAOYSA-N 1 2 225.263 1.917 20 0 BDADLO C[NH+]1CC(Oc2cccc(-c3nnco3)c2)C1 ZINC001228359707 976155689 /nfs/dbraw/zinc/15/56/89/976155689.db2.gz VTFSJIHIINSXHY-UHFFFAOYSA-N 1 2 231.255 1.429 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334041208 976241129 /nfs/dbraw/zinc/24/11/29/976241129.db2.gz FNNXQNFZXQYRAU-QWRGUYRKSA-N 1 2 248.330 1.597 20 0 BDADLO CO[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001334152803 976334471 /nfs/dbraw/zinc/33/44/71/976334471.db2.gz CKLAOTCGYCLZNJ-SNVBAGLBSA-N 1 2 232.287 1.345 20 0 BDADLO CCc1cc(N2CC[C@]23CCOC3)nc(CC)[nH+]1 ZINC001334271789 976414252 /nfs/dbraw/zinc/41/42/52/976414252.db2.gz SBXDPGOHUMPXGT-CQSZACIVSA-N 1 2 247.342 1.971 20 0 BDADLO COc1cc(OC2C[NH+](C)C2)ccc1F ZINC001228986432 976609384 /nfs/dbraw/zinc/60/93/84/976609384.db2.gz XAKVFWQQJSLKBU-UHFFFAOYSA-N 1 2 211.236 1.527 20 0 BDADLO Cc1c[nH+]c(Nc2ccc3ncnn3c2)c(N)c1 ZINC001174373002 976610256 /nfs/dbraw/zinc/61/02/56/976610256.db2.gz USUXCGWDXHCNIY-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO COc1cc(Nc2cncnc2)cc(C)[nH+]1 ZINC001174383575 976616950 /nfs/dbraw/zinc/61/69/50/976616950.db2.gz IJLVSXIAWVEBLJ-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO C[NH+]1CC(Oc2ccc3[nH]c(=S)[nH]c3c2)C1 ZINC001229631688 976922479 /nfs/dbraw/zinc/92/24/79/976922479.db2.gz XBVNHOGVJFFCOH-UHFFFAOYSA-N 1 2 235.312 1.544 20 0 BDADLO C=CNc1[nH+]c2ccccc2n1CCNC(C)=O ZINC001174782340 977001345 /nfs/dbraw/zinc/00/13/45/977001345.db2.gz XHEOCOVYVOOLAA-UHFFFAOYSA-N 1 2 244.298 1.728 20 0 BDADLO c1cn(-c2ccc(OC3COC3)cc2)c[nH+]1 ZINC001229952014 977029407 /nfs/dbraw/zinc/02/94/07/977029407.db2.gz XFSSJULLMZXNHT-UHFFFAOYSA-N 1 2 216.240 1.650 20 0 BDADLO F[C@@H]1COC[C@H]1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229949413 977032829 /nfs/dbraw/zinc/03/28/29/977032829.db2.gz AGGRMXBFZOFCKM-CHWSQXEVSA-N 1 2 248.257 1.988 20 0 BDADLO CC[NH+]1CC(Oc2nc(C)nc3c2CCCC3)C1 ZINC001229997852 977052304 /nfs/dbraw/zinc/05/23/04/977052304.db2.gz UPNXPHYVRSWXGH-UHFFFAOYSA-N 1 2 247.342 1.747 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(O)cc1 ZINC001175038870 977228433 /nfs/dbraw/zinc/22/84/33/977228433.db2.gz AGLJZXWRUBDUBZ-UHFFFAOYSA-N 1 2 247.254 1.337 20 0 BDADLO CC(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230731533 977317125 /nfs/dbraw/zinc/31/71/25/977317125.db2.gz ZRVLXEJLTYJNJV-LBPRGKRZSA-N 1 2 244.354 1.925 20 0 BDADLO CC(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230731533 977317136 /nfs/dbraw/zinc/31/71/36/977317136.db2.gz ZRVLXEJLTYJNJV-LBPRGKRZSA-N 1 2 244.354 1.925 20 0 BDADLO C[NH+]1CC(Oc2ccc3ccncc3n2)C1 ZINC001230728225 977319799 /nfs/dbraw/zinc/31/97/99/977319799.db2.gz JLKVUKDNWTZJTL-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO CC(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230797694 977334660 /nfs/dbraw/zinc/33/46/60/977334660.db2.gz HXESCLRGWPWSLC-JTQLQIEISA-N 1 2 216.300 1.145 20 0 BDADLO CC(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230797694 977334665 /nfs/dbraw/zinc/33/46/65/977334665.db2.gz HXESCLRGWPWSLC-JTQLQIEISA-N 1 2 216.300 1.145 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001336023990 977436127 /nfs/dbraw/zinc/43/61/27/977436127.db2.gz HEBRVOOTIFRYHH-JFGNBEQYSA-N 1 2 249.314 1.259 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001231312680 977565774 /nfs/dbraw/zinc/56/57/74/977565774.db2.gz SEYFQFUASNGZEU-NEPJUHHUSA-N 1 2 244.354 1.925 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001231312680 977565789 /nfs/dbraw/zinc/56/57/89/977565789.db2.gz SEYFQFUASNGZEU-NEPJUHHUSA-N 1 2 244.354 1.925 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1(C)CC1 ZINC001336214675 977577387 /nfs/dbraw/zinc/57/73/87/977577387.db2.gz LWTKBTMOHMXYES-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1(C)CC1 ZINC001336214675 977577391 /nfs/dbraw/zinc/57/73/91/977577391.db2.gz LWTKBTMOHMXYES-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO c1[nH]c2cccnc2c1C[NH+]1CC2(C1)CCCO2 ZINC001231487803 977609594 /nfs/dbraw/zinc/60/95/94/977609594.db2.gz QSJNFWWQENHHDI-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1[nH]c2cnccc2c1C[NH+]1CC2(C1)CCCO2 ZINC001231516535 977623685 /nfs/dbraw/zinc/62/36/85/977623685.db2.gz VLFZODZMJFCOKK-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO COc1ncc(F)cc1C[NH+]1CC(C)C1 ZINC001231740314 977723415 /nfs/dbraw/zinc/72/34/15/977723415.db2.gz INWAGIKOYZJPJH-UHFFFAOYSA-N 1 2 210.252 1.681 20 0 BDADLO CCOc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001231766878 977741639 /nfs/dbraw/zinc/74/16/39/977741639.db2.gz MGVOZWCXWFFODP-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1ncccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001231766878 977741650 /nfs/dbraw/zinc/74/16/50/977741650.db2.gz MGVOZWCXWFFODP-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO CCc1ccc(N2CCO[C@H](COC)C2)[nH+]c1 ZINC001336532175 977754660 /nfs/dbraw/zinc/75/46/60/977754660.db2.gz OBQKLXNTMUROEP-LBPRGKRZSA-N 1 2 236.315 1.496 20 0 BDADLO C[N@H+](Cc1cccc2c1OCCO2)C1(C)COC1 ZINC001231885907 977784709 /nfs/dbraw/zinc/78/47/09/977784709.db2.gz UJZLTOGQSHDSJK-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO C[N@@H+](Cc1cccc2c1OCCO2)C1(C)COC1 ZINC001231885907 977784719 /nfs/dbraw/zinc/78/47/19/977784719.db2.gz UJZLTOGQSHDSJK-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO COc1cnc(C[NH+]2CCC(C(C)=O)CC2)cn1 ZINC001231937079 977806931 /nfs/dbraw/zinc/80/69/31/977806931.db2.gz WNBJETPRHORGEV-UHFFFAOYSA-N 1 2 249.314 1.286 20 0 BDADLO CCc1ccc(N2C[C@@H](C)O[C@@H](CO)C2)[nH+]c1 ZINC001336605881 977809954 /nfs/dbraw/zinc/80/99/54/977809954.db2.gz VRQXZELOSWPOSI-ZYHUDNBSSA-N 1 2 236.315 1.230 20 0 BDADLO Cc1noc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC001336609517 977810209 /nfs/dbraw/zinc/81/02/09/977810209.db2.gz WZUMYTUNRFRQAV-LLVKDONJSA-N 1 2 246.270 1.431 20 0 BDADLO CCc1ccc(N2C[C@@H](C)O[C@H](CO)C2)[nH+]c1 ZINC001336605879 977810512 /nfs/dbraw/zinc/81/05/12/977810512.db2.gz VRQXZELOSWPOSI-PWSUYJOCSA-N 1 2 236.315 1.230 20 0 BDADLO COc1cc[nH+]c(CN2CC(F)(F)C2)c1 ZINC001231966813 977814743 /nfs/dbraw/zinc/81/47/43/977814743.db2.gz JQVNBZOGIDKSJW-UHFFFAOYSA-N 1 2 214.215 1.541 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc(C)n1 ZINC001231997009 977829925 /nfs/dbraw/zinc/82/99/25/977829925.db2.gz JVFACQRFAIRSTJ-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc(C)n1 ZINC001231997009 977829928 /nfs/dbraw/zinc/82/99/28/977829928.db2.gz JVFACQRFAIRSTJ-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)cc(C)n1 ZINC001231998542 977829982 /nfs/dbraw/zinc/82/99/82/977829982.db2.gz XWSWRKPRJLZACQ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)cc(C)n1 ZINC001231998542 977829986 /nfs/dbraw/zinc/82/99/86/977829986.db2.gz XWSWRKPRJLZACQ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO CO[C@@H]1CCN(c2cc(N)nc[nH+]2)CC1(C)C ZINC001336663693 977838626 /nfs/dbraw/zinc/83/86/26/977838626.db2.gz BJRMIQLUOPKAAF-SECBINFHSA-N 1 2 236.319 1.310 20 0 BDADLO COC[C@H]1C[C@@H](O)CN1c1cc(F)cc(C)[nH+]1 ZINC001336681146 977849560 /nfs/dbraw/zinc/84/95/60/977849560.db2.gz XFTMMYMIHNGVRK-GHMZBOCLSA-N 1 2 240.278 1.115 20 0 BDADLO Nc1cn[nH+]cc1Nc1ccc2[nH]nnc2c1 ZINC001175997910 977854865 /nfs/dbraw/zinc/85/48/65/977854865.db2.gz BIEPNMGMLKZYQA-UHFFFAOYSA-N 1 2 227.231 1.074 20 0 BDADLO Nc1cn[nH+]cc1Nc1ccc2nn[nH]c2c1 ZINC001175997910 977854874 /nfs/dbraw/zinc/85/48/74/977854874.db2.gz BIEPNMGMLKZYQA-UHFFFAOYSA-N 1 2 227.231 1.074 20 0 BDADLO Oc1cncc(C[NH+]2CC3(C2)CCOC3)c1 ZINC001232039428 977861022 /nfs/dbraw/zinc/86/10/22/977861022.db2.gz RIDSEYKVWGGLNB-UHFFFAOYSA-N 1 2 220.272 1.010 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncc(O)c2)C[C@H]1F ZINC001232039799 977866639 /nfs/dbraw/zinc/86/66/39/977866639.db2.gz WTLQPZKWUGWKRS-BXKDBHETSA-N 1 2 224.279 1.967 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3ncccc3[nH]2)CCO1 ZINC001232061487 977874188 /nfs/dbraw/zinc/87/41/88/977874188.db2.gz HJGOMQPGMDQFNO-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3ncccc3[nH]2)CCO1 ZINC001232061487 977874190 /nfs/dbraw/zinc/87/41/90/977874190.db2.gz HJGOMQPGMDQFNO-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO c1c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]c2cccnc12 ZINC001232062336 977874995 /nfs/dbraw/zinc/87/49/95/977874995.db2.gz ZKFORKVUUZRQTK-TXEJJXNPSA-N 1 2 243.310 1.926 20 0 BDADLO c1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]c2cccnc12 ZINC001232062336 977875000 /nfs/dbraw/zinc/87/50/00/977875000.db2.gz ZKFORKVUUZRQTK-TXEJJXNPSA-N 1 2 243.310 1.926 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc2ncccc2[nH]1 ZINC001232069998 977881349 /nfs/dbraw/zinc/88/13/49/977881349.db2.gz OHQWYTKXZYDZEK-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc2ncccc2[nH]1 ZINC001232069998 977881353 /nfs/dbraw/zinc/88/13/53/977881353.db2.gz OHQWYTKXZYDZEK-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO NC(=O)c1cn(-c2[nH]cc[nH+]2)c2ccc(N)cc12 ZINC001176084789 977883776 /nfs/dbraw/zinc/88/37/76/977883776.db2.gz WOXXPCCMTYUQGK-UHFFFAOYSA-N 1 2 241.254 1.035 20 0 BDADLO Cc1[nH]c(CNc2ncnc3c2CCC3)[nH+]c1C ZINC001336727098 977886688 /nfs/dbraw/zinc/88/66/88/977886688.db2.gz VQTSNUJZPZZFHN-UHFFFAOYSA-N 1 2 243.314 1.917 20 0 BDADLO Cc1cc(C[NH+]2CCC(C(C)(C)O)CC2)n[nH]1 ZINC001336757398 977919956 /nfs/dbraw/zinc/91/99/56/977919956.db2.gz FOCCCRXBVZQWLF-UHFFFAOYSA-N 1 2 237.347 1.701 20 0 BDADLO Cc1scnc1C[NH+]1CC2(C1)CCOC2 ZINC001232204536 977921262 /nfs/dbraw/zinc/92/12/62/977921262.db2.gz PPJCUWANILBUAB-UHFFFAOYSA-N 1 2 224.329 1.674 20 0 BDADLO O=C([O-])CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001595061775 977939005 /nfs/dbraw/zinc/93/90/05/977939005.db2.gz VWWPPSWTHHPOKQ-GHMZBOCLSA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001595061775 977939010 /nfs/dbraw/zinc/93/90/10/977939010.db2.gz VWWPPSWTHHPOKQ-GHMZBOCLSA-N 1 2 226.320 1.068 20 0 BDADLO COc1cc[nH+]cc1Nc1cn(C)nc1C(C)=O ZINC001176118296 977944176 /nfs/dbraw/zinc/94/41/76/977944176.db2.gz FVLWGDYZFRPAOC-UHFFFAOYSA-N 1 2 246.270 1.770 20 0 BDADLO COc1cc[nH+]cc1Nc1sccc1C(N)=O ZINC001176116447 977944560 /nfs/dbraw/zinc/94/45/60/977944560.db2.gz DWLQQWYJHMQNRF-UHFFFAOYSA-N 1 2 249.295 1.994 20 0 BDADLO COc1cc[nH+]cc1Nc1ccnc(C)n1 ZINC001176118049 977945179 /nfs/dbraw/zinc/94/51/79/977945179.db2.gz ABDRBWOGSAPYSC-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO COc1ncc(Nc2c[nH+]ccc2OC)c(C)n1 ZINC001176118427 977946176 /nfs/dbraw/zinc/94/61/76/977946176.db2.gz KPYZYOYDLSRMPQ-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO COc1cc[nH+]cc1-n1nc(OC(C)C)cc1N ZINC001176116875 977947095 /nfs/dbraw/zinc/94/70/95/977947095.db2.gz OEXKSLCQMBVCJW-UHFFFAOYSA-N 1 2 248.286 1.645 20 0 BDADLO O[C@H](C[NH2+]CC(F)F)C[C@H](O)c1ccccc1 ZINC001336778631 977952745 /nfs/dbraw/zinc/95/27/45/977952745.db2.gz JLWAUKJAELIFSS-QWRGUYRKSA-N 1 2 245.269 1.326 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)s1 ZINC001232242491 977967568 /nfs/dbraw/zinc/96/75/68/977967568.db2.gz LJMHJJXMQMTAJI-KCJUWKMLSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)s1 ZINC001232242491 977967574 /nfs/dbraw/zinc/96/75/74/977967574.db2.gz LJMHJJXMQMTAJI-KCJUWKMLSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]3C[C@H]32)s1 ZINC001232246876 977976349 /nfs/dbraw/zinc/97/63/49/977976349.db2.gz WXERPDBREGUMBF-DTWKUNHWSA-N 1 2 209.318 1.831 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]3C[C@H]32)s1 ZINC001232246876 977976358 /nfs/dbraw/zinc/97/63/58/977976358.db2.gz WXERPDBREGUMBF-DTWKUNHWSA-N 1 2 209.318 1.831 20 0 BDADLO COCc1cccc(C[N@@H+]2CCC[C@H]2C(C)=O)n1 ZINC001232259515 977980680 /nfs/dbraw/zinc/98/06/80/977980680.db2.gz YRENTTCLAKJQFG-AWEZNQCLSA-N 1 2 248.326 1.781 20 0 BDADLO COCc1cccc(C[N@H+]2CCC[C@H]2C(C)=O)n1 ZINC001232259515 977980685 /nfs/dbraw/zinc/98/06/85/977980685.db2.gz YRENTTCLAKJQFG-AWEZNQCLSA-N 1 2 248.326 1.781 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@]2(CCOC2=O)C1 ZINC001336824913 977986393 /nfs/dbraw/zinc/98/63/93/977986393.db2.gz VFWLEVSPMPKNAC-CYBMUJFWSA-N 1 2 247.298 1.237 20 0 BDADLO COCc1ccc(C[NH+]2CCN(C#N)CC2)cc1 ZINC001232302278 977995148 /nfs/dbraw/zinc/99/51/48/977995148.db2.gz BIRSSENFYLGDOZ-UHFFFAOYSA-N 1 2 245.326 1.432 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CCCC(=O)CC2)cn1 ZINC001232349884 978033062 /nfs/dbraw/zinc/03/30/62/978033062.db2.gz IKHBRAGGZKVWAV-UHFFFAOYSA-N 1 2 248.326 1.954 20 0 BDADLO COc1cc(C)c(C[N@H+]2CCCC(=O)CC2)cn1 ZINC001232349884 978033073 /nfs/dbraw/zinc/03/30/73/978033073.db2.gz IKHBRAGGZKVWAV-UHFFFAOYSA-N 1 2 248.326 1.954 20 0 BDADLO Cc1[nH]c(CN2CCc3occc3C2)c[nH+]1 ZINC001232464580 978107859 /nfs/dbraw/zinc/10/78/59/978107859.db2.gz IJWITCZJHCUBBX-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1[nH]cc(CN2CCc3occc3C2)[nH+]1 ZINC001232464580 978107864 /nfs/dbraw/zinc/10/78/64/978107864.db2.gz IJWITCZJHCUBBX-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2cnc(C)[nH]2)CC12CC2 ZINC001232465711 978112611 /nfs/dbraw/zinc/11/26/11/978112611.db2.gz BXCFWQRSCCTMJC-LLVKDONJSA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2cnc(C)[nH]2)CC12CC2 ZINC001232465711 978112623 /nfs/dbraw/zinc/11/26/23/978112623.db2.gz BXCFWQRSCCTMJC-LLVKDONJSA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2c[nH]c(C)n2)CC12CC2 ZINC001232465711 978112638 /nfs/dbraw/zinc/11/26/38/978112638.db2.gz BXCFWQRSCCTMJC-LLVKDONJSA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2c[nH]c(C)n2)CC12CC2 ZINC001232465711 978112649 /nfs/dbraw/zinc/11/26/49/978112649.db2.gz BXCFWQRSCCTMJC-LLVKDONJSA-N 1 2 249.314 1.103 20 0 BDADLO CCc1ccc(N(CCO)CC2CC2)[nH+]c1 ZINC001337049432 978143248 /nfs/dbraw/zinc/14/32/48/978143248.db2.gz OJTWGALFPUWGLS-UHFFFAOYSA-N 1 2 220.316 1.853 20 0 BDADLO Fc1ccnc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001232493125 978148893 /nfs/dbraw/zinc/14/88/93/978148893.db2.gz PURXBLRWEIIHRW-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO CCN1CCN(c2cc(F)cc(C)[nH+]2)CC1=O ZINC001337117314 978169652 /nfs/dbraw/zinc/16/96/52/978169652.db2.gz ADVFJVKAHYBDAQ-UHFFFAOYSA-N 1 2 237.278 1.198 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc2ccoc2cn1 ZINC001232553410 978177645 /nfs/dbraw/zinc/17/76/45/978177645.db2.gz RUUCQNJXRDGBDI-UHFFFAOYSA-N 1 2 247.298 1.348 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc2ccoc2cn1 ZINC001232553410 978177656 /nfs/dbraw/zinc/17/76/56/978177656.db2.gz RUUCQNJXRDGBDI-UHFFFAOYSA-N 1 2 247.298 1.348 20 0 BDADLO CN(Cc1cncs1)C(=O)Cc1c[nH+]c[nH]1 ZINC001176830987 978196275 /nfs/dbraw/zinc/19/62/75/978196275.db2.gz IXKQRGUZKUASGQ-UHFFFAOYSA-N 1 2 236.300 1.067 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1O ZINC001176832588 978198244 /nfs/dbraw/zinc/19/82/44/978198244.db2.gz WBTNKROIJAABIN-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO Cc1ccnc(C[NH2+]Cc2cnc[nH]2)c1 ZINC000328195610 978199643 /nfs/dbraw/zinc/19/96/43/978199643.db2.gz RJKWGQSFLONFAZ-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CNc1ccccc1C[N@@H+]1CC(=O)NC[C@H]1C ZINC001232673155 978228825 /nfs/dbraw/zinc/22/88/25/978228825.db2.gz UHNYCADDHRBRIK-SNVBAGLBSA-N 1 2 233.315 1.049 20 0 BDADLO CNc1ccccc1C[N@H+]1CC(=O)NC[C@H]1C ZINC001232673155 978228834 /nfs/dbraw/zinc/22/88/34/978228834.db2.gz UHNYCADDHRBRIK-SNVBAGLBSA-N 1 2 233.315 1.049 20 0 BDADLO O=C1CC[NH+](Cc2ccc(CCO)cc2)CC1 ZINC001232774468 978265266 /nfs/dbraw/zinc/26/52/66/978265266.db2.gz OKWRGZATRWPDGE-UHFFFAOYSA-N 1 2 233.311 1.386 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)c[nH+]1 ZINC001597257221 978305186 /nfs/dbraw/zinc/30/51/86/978305186.db2.gz GDGQEYGLOVJLRZ-SSDOTTSWSA-N 1 2 245.273 1.880 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H](C)C(C)(F)F)[nH+]1 ZINC001597257221 978305196 /nfs/dbraw/zinc/30/51/96/978305196.db2.gz GDGQEYGLOVJLRZ-SSDOTTSWSA-N 1 2 245.273 1.880 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[NH+]1C2CCC1CC2 ZINC001232918670 978331750 /nfs/dbraw/zinc/33/17/50/978331750.db2.gz OGOKSAOLSGTBAF-UHFFFAOYSA-N 1 2 249.314 1.713 20 0 BDADLO Oc1c(F)ccc(C[N@H+]2CC[C@@H](O)C2)c1F ZINC001232930577 978339070 /nfs/dbraw/zinc/33/90/70/978339070.db2.gz BYAGFMTYFJXSTH-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1c(F)ccc(C[N@@H+]2CC[C@@H](O)C2)c1F ZINC001232930577 978339082 /nfs/dbraw/zinc/33/90/82/978339082.db2.gz BYAGFMTYFJXSTH-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO CC(C)[C@@H](C)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177408287 978349981 /nfs/dbraw/zinc/34/99/81/978349981.db2.gz AZVJCUVMSNPKPP-LLVKDONJSA-N 1 2 235.331 1.679 20 0 BDADLO Cc1nc(C)c(C(=O)Nc2c(C)c[nH+]cc2C)o1 ZINC001337510846 978382063 /nfs/dbraw/zinc/38/20/63/978382063.db2.gz WYGREHXWQDCARI-UHFFFAOYSA-N 1 2 245.282 1.977 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1(C)CC1 ZINC001337522309 978388937 /nfs/dbraw/zinc/38/89/37/978388937.db2.gz NWVFFVMEVZMVPK-VIFPVBQESA-N 1 2 221.304 1.565 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2C[C@H]2c2cccs2)C1 ZINC001177542042 978390696 /nfs/dbraw/zinc/39/06/96/978390696.db2.gz AFXANBJODKRVKM-ZJUUUORDSA-N 1 2 236.340 1.282 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+]1CC[C@]12CCOC2 ZINC001232992922 978395839 /nfs/dbraw/zinc/39/58/39/978395839.db2.gz NJDKPQGRBHXXKB-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1ncc(F)cc1C[N@H+]1CC[C@]12CCOC2 ZINC001232992922 978395851 /nfs/dbraw/zinc/39/58/51/978395851.db2.gz NJDKPQGRBHXXKB-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCc1ccccc1O ZINC001177590045 978398397 /nfs/dbraw/zinc/39/83/97/978398397.db2.gz DGNHRTFYYMZYKD-UHFFFAOYSA-N 1 2 231.299 1.756 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1cscn1 ZINC001337638082 978438520 /nfs/dbraw/zinc/43/85/20/978438520.db2.gz BKHNRQMHYIHXGB-UHFFFAOYSA-N 1 2 247.323 1.758 20 0 BDADLO COC(C)(C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001337641463 978439396 /nfs/dbraw/zinc/43/93/96/978439396.db2.gz YBMGVYWOSFSCHV-UHFFFAOYSA-N 1 2 236.315 1.874 20 0 BDADLO Oc1cccc(C[NH+]2CC3(CC(O)C3)C2)c1F ZINC001233050982 978444472 /nfs/dbraw/zinc/44/44/72/978444472.db2.gz XDIBKOBMOOPZKH-UHFFFAOYSA-N 1 2 237.274 1.488 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1nc2ccccn2n1 ZINC001233067548 978454709 /nfs/dbraw/zinc/45/47/09/978454709.db2.gz AYMHWXTVUMJANI-JTQLQIEISA-N 1 2 216.288 1.714 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1nc2ccccn2n1 ZINC001233067548 978454712 /nfs/dbraw/zinc/45/47/12/978454712.db2.gz AYMHWXTVUMJANI-JTQLQIEISA-N 1 2 216.288 1.714 20 0 BDADLO CC[N@H+](Cc1nc2ccccn2n1)CC(C)(C)O ZINC001233072178 978461336 /nfs/dbraw/zinc/46/13/36/978461336.db2.gz CKJOEEMJVYRHNO-UHFFFAOYSA-N 1 2 248.330 1.322 20 0 BDADLO CC[N@@H+](Cc1nc2ccccn2n1)CC(C)(C)O ZINC001233072178 978461343 /nfs/dbraw/zinc/46/13/43/978461343.db2.gz CKJOEEMJVYRHNO-UHFFFAOYSA-N 1 2 248.330 1.322 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(CC(F)F)C1CCC1 ZINC001178016659 978487754 /nfs/dbraw/zinc/48/77/54/978487754.db2.gz WMBLGGFHDJPZMU-JTQLQIEISA-N 1 2 246.301 1.727 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(CC(F)F)C1CCC1 ZINC001178016659 978487757 /nfs/dbraw/zinc/48/77/57/978487757.db2.gz WMBLGGFHDJPZMU-JTQLQIEISA-N 1 2 246.301 1.727 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC(F)(C2CC2)C1 ZINC001177994584 978493431 /nfs/dbraw/zinc/49/34/31/978493431.db2.gz XWXWDRGHDDMKBA-UHFFFAOYSA-N 1 2 237.278 1.303 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)c(O)c1 ZINC001233228549 978498607 /nfs/dbraw/zinc/49/86/07/978498607.db2.gz CTHQRFCYXQCRGL-GFCCVEGCSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)c(O)c1 ZINC001233228549 978498615 /nfs/dbraw/zinc/49/86/15/978498615.db2.gz CTHQRFCYXQCRGL-GFCCVEGCSA-N 1 2 249.310 1.838 20 0 BDADLO CCOC(=O)[C@H](C)c1cc[nH+]c(NC)c1 ZINC001249857817 978514052 /nfs/dbraw/zinc/51/40/52/978514052.db2.gz LLEYSRNPIINVSA-MRVPVSSYSA-N 1 2 208.261 1.790 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@H]1F ZINC001204214128 978538534 /nfs/dbraw/zinc/53/85/34/978538534.db2.gz HTCGBCBRALDGTE-VXGBXAGGSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@H]1F ZINC001204214128 978538543 /nfs/dbraw/zinc/53/85/43/978538543.db2.gz HTCGBCBRALDGTE-VXGBXAGGSA-N 1 2 245.244 1.870 20 0 BDADLO COc1cc[nH+]cc1NCc1nn(C)cc1C ZINC001178259331 978538864 /nfs/dbraw/zinc/53/88/64/978538864.db2.gz FGAYZRIKTPCOOZ-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO Cc1cncc(C[NH2+]Cc2nc(CO)cs2)c1 ZINC001178365368 978562554 /nfs/dbraw/zinc/56/25/54/978562554.db2.gz GBILUQAUDLFSOR-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO COC(=O)[C@@H]1CCN1Cc1cccc2[nH+]ccn21 ZINC001233360861 978572666 /nfs/dbraw/zinc/57/26/66/978572666.db2.gz JOSAMQOVOXNOOZ-NSHDSACASA-N 1 2 245.282 1.082 20 0 BDADLO Cc1ncc(CN(C)Cc2cccc(N)[nH+]2)cn1 ZINC001233372281 978587212 /nfs/dbraw/zinc/58/72/12/978587212.db2.gz HRVIXMXUPVQTKE-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cccc(N)n2)cn1 ZINC001233372281 978587219 /nfs/dbraw/zinc/58/72/19/978587219.db2.gz HRVIXMXUPVQTKE-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cccc(N)n2)cn1 ZINC001233372281 978587220 /nfs/dbraw/zinc/58/72/20/978587220.db2.gz HRVIXMXUPVQTKE-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446386 978603195 /nfs/dbraw/zinc/60/31/95/978603195.db2.gz SUNAWIYVUSYEIB-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446386 978603197 /nfs/dbraw/zinc/60/31/97/978603197.db2.gz SUNAWIYVUSYEIB-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO COC(C[N@H+](C)Cc1cncc(Cl)n1)OC ZINC001233449403 978609066 /nfs/dbraw/zinc/60/90/66/978609066.db2.gz CJHKYXAIKSSFOB-UHFFFAOYSA-N 1 2 245.710 1.181 20 0 BDADLO COC(C[N@@H+](C)Cc1cncc(Cl)n1)OC ZINC001233449403 978609071 /nfs/dbraw/zinc/60/90/71/978609071.db2.gz CJHKYXAIKSSFOB-UHFFFAOYSA-N 1 2 245.710 1.181 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001338104626 978613395 /nfs/dbraw/zinc/61/33/95/978613395.db2.gz RUNZRCFLSDSVSP-QMMMGPOBSA-N 1 2 234.259 1.688 20 0 BDADLO CCc1nc(C[NH2+]Cc2c(C)n[nH]c2C)co1 ZINC001178736635 978623035 /nfs/dbraw/zinc/62/30/35/978623035.db2.gz FHQVDZBWLPWRFX-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCOC[C@H]1C ZINC001338239756 978638514 /nfs/dbraw/zinc/63/85/14/978638514.db2.gz ANANXNWHMPXSDM-NEPJUHHUSA-N 1 2 248.326 1.731 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC001338310609 978657328 /nfs/dbraw/zinc/65/73/28/978657328.db2.gz REWQBWUMPPEPMB-JTQLQIEISA-N 1 2 249.314 1.186 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC001338310609 978657330 /nfs/dbraw/zinc/65/73/30/978657330.db2.gz REWQBWUMPPEPMB-JTQLQIEISA-N 1 2 249.314 1.186 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(NC=O)c1 ZINC001179070451 978664794 /nfs/dbraw/zinc/66/47/94/978664794.db2.gz XAUJSPJIXZPEHN-LBPRGKRZSA-N 1 2 247.298 1.288 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(NC=O)c1 ZINC001179070451 978664797 /nfs/dbraw/zinc/66/47/97/978664797.db2.gz XAUJSPJIXZPEHN-LBPRGKRZSA-N 1 2 247.298 1.288 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C2=CCCCO2)[nH+]1 ZINC001179092445 978667384 /nfs/dbraw/zinc/66/73/84/978667384.db2.gz NYARFLMOIHWTTF-UHFFFAOYSA-N 1 2 249.314 1.844 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C2=CCCCO2)c[nH+]1 ZINC001179092445 978667390 /nfs/dbraw/zinc/66/73/90/978667390.db2.gz NYARFLMOIHWTTF-UHFFFAOYSA-N 1 2 249.314 1.844 20 0 BDADLO Cc1[nH+]c(C(=O)[O-])cn1C[C@@H]1CCCC[NH2+]C1 ZINC001600685692 978721171 /nfs/dbraw/zinc/72/11/71/978721171.db2.gz XKIIDZQLOJSZOD-SNVBAGLBSA-N 1 2 237.303 1.279 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC(C)(C)C1(C)C ZINC001338765903 978732308 /nfs/dbraw/zinc/73/23/08/978732308.db2.gz COMNHPDVXBLPIQ-MRVPVSSYSA-N 1 2 223.324 1.392 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC(C)(C)C1(C)C ZINC001338765903 978732320 /nfs/dbraw/zinc/73/23/20/978732320.db2.gz COMNHPDVXBLPIQ-MRVPVSSYSA-N 1 2 223.324 1.392 20 0 BDADLO c1cc2cccc(C[NH2+]Cc3nnc[nH]3)c2o1 ZINC001179842539 978763547 /nfs/dbraw/zinc/76/35/47/978763547.db2.gz NDXWSLIVIPNZOY-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO O=C([O-])[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001601794349 978850820 /nfs/dbraw/zinc/85/08/20/978850820.db2.gz KFGXXVCREFWDJG-WDEREUQCSA-N 1 2 237.303 1.116 20 0 BDADLO Cn1ncc2ccc(OC3C[NH+](C)C3)cc21 ZINC001234522568 978852602 /nfs/dbraw/zinc/85/26/02/978852602.db2.gz PPLXLSXYYLNYAD-UHFFFAOYSA-N 1 2 217.272 1.266 20 0 BDADLO Cc1cc([NH2+]C[C@H]2CCC(=O)N2)ccc1N ZINC000070627987 978867677 /nfs/dbraw/zinc/86/76/77/978867677.db2.gz QOYQESGQUUOSJA-SNVBAGLBSA-N 1 2 219.288 1.268 20 0 BDADLO CN1CCc2cc(OC3C[NH+](C)C3)ccc2C1=O ZINC001234611192 978871614 /nfs/dbraw/zinc/87/16/14/978871614.db2.gz WYPJHBQTAHFPPS-UHFFFAOYSA-N 1 2 246.310 1.008 20 0 BDADLO Cc1cc(F)cc(N(C)[C@H]2CCN(C)C2=O)[nH+]1 ZINC001339587982 978876383 /nfs/dbraw/zinc/87/63/83/978876383.db2.gz FEAXTTZSJTVSNX-JTQLQIEISA-N 1 2 237.278 1.196 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc3cccnc3[nH]2)C1 ZINC001234630279 978879341 /nfs/dbraw/zinc/87/93/41/978879341.db2.gz SSGKFZVTXVZINX-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc3cccnc3[nH]2)C1 ZINC001234630279 978879343 /nfs/dbraw/zinc/87/93/43/978879343.db2.gz SSGKFZVTXVZINX-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001339633152 978882108 /nfs/dbraw/zinc/88/21/08/978882108.db2.gz GNRMCPVECFZGCB-UTUOFQBUSA-N 1 2 235.331 1.997 20 0 BDADLO CC[NH+]1CC(Oc2cccc3c2C(=O)NCC3)C1 ZINC001234650725 978888217 /nfs/dbraw/zinc/88/82/17/978888217.db2.gz GYSJSVAFASRGSP-UHFFFAOYSA-N 1 2 246.310 1.055 20 0 BDADLO CC[NH+]1CC(Oc2nc3sccc3[nH]2)C1 ZINC001234851175 978917189 /nfs/dbraw/zinc/91/71/89/978917189.db2.gz GJTBIPYYVASIHZ-UHFFFAOYSA-N 1 2 223.301 1.707 20 0 BDADLO C[NH+]1CC(Oc2ccnc3cc(F)cnc32)C1 ZINC001234888424 978926314 /nfs/dbraw/zinc/92/63/14/978926314.db2.gz QZLYWEOVXYWWEQ-UHFFFAOYSA-N 1 2 233.246 1.462 20 0 BDADLO CC(C)COCC(=O)Nc1cccc2[nH+]ccn21 ZINC001180747763 978935928 /nfs/dbraw/zinc/93/59/28/978935928.db2.gz LOPRVIZFELORPC-UHFFFAOYSA-N 1 2 247.298 1.945 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1noc2c1COCC2 ZINC001339915570 978939817 /nfs/dbraw/zinc/93/98/17/978939817.db2.gz VNRIBWMBWKEHAN-UHFFFAOYSA-N 1 2 248.286 1.069 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2ncc(F)cn2)[C@H]1CO ZINC001235008034 978950033 /nfs/dbraw/zinc/95/00/33/978950033.db2.gz UMMOPTBGNZWNOM-ONGXEEELSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2ncc(F)cn2)[C@H]1CO ZINC001235008034 978950037 /nfs/dbraw/zinc/95/00/37/978950037.db2.gz UMMOPTBGNZWNOM-ONGXEEELSA-N 1 2 239.294 1.209 20 0 BDADLO [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc([S-])cc1)C2 ZINC001235173475 978990544 /nfs/dbraw/zinc/99/05/44/978990544.db2.gz UQZDWMIFDIRRPG-WCQYABFASA-N 1 2 234.368 1.898 20 0 BDADLO [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001235173475 978990548 /nfs/dbraw/zinc/99/05/48/978990548.db2.gz UQZDWMIFDIRRPG-WCQYABFASA-N 1 2 234.368 1.898 20 0 BDADLO CCc1cccc(C[N@@H+]2CCCC[C@H]2C(N)=O)n1 ZINC001235252580 979008077 /nfs/dbraw/zinc/00/80/77/979008077.db2.gz CLRUMFLRSIYLOH-ZDUSSCGKSA-N 1 2 247.342 1.484 20 0 BDADLO CCc1cccc(C[N@H+]2CCCC[C@H]2C(N)=O)n1 ZINC001235252580 979008083 /nfs/dbraw/zinc/00/80/83/979008083.db2.gz CLRUMFLRSIYLOH-ZDUSSCGKSA-N 1 2 247.342 1.484 20 0 BDADLO CC(=O)CC(C)(C)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181278892 979032444 /nfs/dbraw/zinc/03/24/44/979032444.db2.gz BZPQXZWZGRGEMA-UHFFFAOYSA-N 1 2 249.314 1.080 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CC(F)(C2CC2)C1 ZINC001235541860 979085212 /nfs/dbraw/zinc/08/52/12/979085212.db2.gz YSBQZCVDUYBLCM-UHFFFAOYSA-N 1 2 223.295 1.662 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCC[C@H](F)C(=O)C1 ZINC001235540773 979086839 /nfs/dbraw/zinc/08/68/39/979086839.db2.gz NXBBACRZRCNMOF-JTQLQIEISA-N 1 2 239.294 1.232 20 0 BDADLO Cc1cc(C(=O)Nc2c(C)c[nH+]cc2C)n(C)n1 ZINC001340809729 979116596 /nfs/dbraw/zinc/11/65/96/979116596.db2.gz FMRSTPVBIMTREG-UHFFFAOYSA-N 1 2 244.298 1.415 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CC12CC2 ZINC001340811019 979117024 /nfs/dbraw/zinc/11/70/24/979117024.db2.gz URBKWIKLWDPKFM-JTQLQIEISA-N 1 2 216.284 1.859 20 0 BDADLO OCCC[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001235705231 979130813 /nfs/dbraw/zinc/13/08/13/979130813.db2.gz HDPGSQPKFZNCGH-UHFFFAOYSA-N 1 2 243.253 1.410 20 0 BDADLO COCOc1ccc(/C(C)=C/C=C/[NH3+])cn1 ZINC001235954477 979224677 /nfs/dbraw/zinc/22/46/77/979224677.db2.gz YLWCIMQBESHQSV-DROBUMMNSA-N 1 2 220.272 1.940 20 0 BDADLO OCCCC[NH+]1CC(Oc2ccccc2F)C1 ZINC001235957992 979225293 /nfs/dbraw/zinc/22/52/93/979225293.db2.gz AEMHYSSWFMKKHP-UHFFFAOYSA-N 1 2 239.290 1.661 20 0 BDADLO CC(=O)NCCc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250016186 979260498 /nfs/dbraw/zinc/26/04/98/979260498.db2.gz FGLITKYYYGQFTL-UHFFFAOYSA-N 1 2 243.310 1.610 20 0 BDADLO [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989184 979269595 /nfs/dbraw/zinc/26/95/95/979269595.db2.gz IGFXDGSVQKSZCZ-RISCZKNCSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989184 979269604 /nfs/dbraw/zinc/26/96/04/979269604.db2.gz IGFXDGSVQKSZCZ-RISCZKNCSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@@H](CC(=O)NCCCc1ccco1)C(F)F ZINC001341403067 979375276 /nfs/dbraw/zinc/37/52/76/979375276.db2.gz SSIRDCSQGXBLAI-VIFPVBQESA-N 1 2 246.257 1.311 20 0 BDADLO Cc1ccc(N(C)c2nccnc2N)c(C)[nH+]1 ZINC001203370403 979473899 /nfs/dbraw/zinc/47/38/99/979473899.db2.gz LBSRFPQTAKLZSL-UHFFFAOYSA-N 1 2 229.287 1.839 20 0 BDADLO CCn1nncc1C[NH+]1CC2(CCC2)C1 ZINC001182215519 979476675 /nfs/dbraw/zinc/47/66/75/979476675.db2.gz FPCFRPLXVJXKOI-UHFFFAOYSA-N 1 2 206.293 1.284 20 0 BDADLO Cc1cc(NC(=O)C[C@H]([NH3+])C(F)F)cnc1C ZINC001341607975 979487392 /nfs/dbraw/zinc/48/73/92/979487392.db2.gz PUOJTNLSYMNZAL-VIFPVBQESA-N 1 2 243.257 1.619 20 0 BDADLO CN1Cc2c(cccc2-c2ccc(N)[nH+]c2)C1=O ZINC001236311835 979516118 /nfs/dbraw/zinc/51/61/18/979516118.db2.gz FWQUXCDDDHGPEQ-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)NCC(=O)C(C)(C)C ZINC001182862003 979658176 /nfs/dbraw/zinc/65/81/76/979658176.db2.gz OPLRQHNUDUKATM-JTQLQIEISA-N 1 2 240.347 1.201 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)NCC(=O)C(C)(C)C ZINC001182862003 979658186 /nfs/dbraw/zinc/65/81/86/979658186.db2.gz OPLRQHNUDUKATM-JTQLQIEISA-N 1 2 240.347 1.201 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236613048 979672566 /nfs/dbraw/zinc/67/25/66/979672566.db2.gz FECVHWNSNNAAOD-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236613048 979672572 /nfs/dbraw/zinc/67/25/72/979672572.db2.gz FECVHWNSNNAAOD-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001605448069 979877180 /nfs/dbraw/zinc/87/71/80/979877180.db2.gz QPQAXUGYQIRGGF-JLLWLGSASA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001605448069 979877188 /nfs/dbraw/zinc/87/71/88/979877188.db2.gz QPQAXUGYQIRGGF-JLLWLGSASA-N 1 2 240.347 1.170 20 0 BDADLO O=C(N1CCc2[nH+]ccn2CC1)C1(C2CC2)CC1 ZINC001183800653 979888604 /nfs/dbraw/zinc/88/86/04/979888604.db2.gz MLOLQKLJXRKFTC-UHFFFAOYSA-N 1 2 245.326 1.458 20 0 BDADLO CC[N@H+](Cc1ccccc1NC(C)=O)C1COC1 ZINC001237413623 979889151 /nfs/dbraw/zinc/88/91/51/979889151.db2.gz NYNBYCOVNLFSIA-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO CC[N@@H+](Cc1ccccc1NC(C)=O)C1COC1 ZINC001237413623 979889154 /nfs/dbraw/zinc/88/91/54/979889154.db2.gz NYNBYCOVNLFSIA-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)C1(C2CC2)CC1 ZINC001183806011 979889729 /nfs/dbraw/zinc/88/97/29/979889729.db2.gz SXTAIMGQTIKUNO-UHFFFAOYSA-N 1 2 246.310 1.767 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2cc3ccccn3n2)C1 ZINC001237448219 979895135 /nfs/dbraw/zinc/89/51/35/979895135.db2.gz FAVKJGUXTRIEJG-NSHDSACASA-N 1 2 245.326 1.801 20 0 BDADLO COCC[N@H+](C)Cc1cc2ccccn2n1 ZINC001237444184 979897245 /nfs/dbraw/zinc/89/72/45/979897245.db2.gz ZMXWZCXVKKGBNM-UHFFFAOYSA-N 1 2 219.288 1.413 20 0 BDADLO COCC[N@@H+](C)Cc1cc2ccccn2n1 ZINC001237444184 979897252 /nfs/dbraw/zinc/89/72/52/979897252.db2.gz ZMXWZCXVKKGBNM-UHFFFAOYSA-N 1 2 219.288 1.413 20 0 BDADLO c1c(C[N@@H+]2CC[C@]23CCOC3)nn2ccccc12 ZINC001237451647 979899404 /nfs/dbraw/zinc/89/94/04/979899404.db2.gz LVQSLHWVNGZKIL-CQSZACIVSA-N 1 2 243.310 1.699 20 0 BDADLO c1c(C[N@H+]2CC[C@]23CCOC3)nn2ccccc12 ZINC001237451647 979899410 /nfs/dbraw/zinc/89/94/10/979899410.db2.gz LVQSLHWVNGZKIL-CQSZACIVSA-N 1 2 243.310 1.699 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn3nccc3c2)CCO1 ZINC001237538130 979931491 /nfs/dbraw/zinc/93/14/91/979931491.db2.gz JEZXRWZAIHBRCM-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn3nccc3c2)CCO1 ZINC001237538130 979931494 /nfs/dbraw/zinc/93/14/94/979931494.db2.gz JEZXRWZAIHBRCM-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO CC[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC001342912834 979936720 /nfs/dbraw/zinc/93/67/20/979936720.db2.gz CRHSZWAZEGQBNT-JTQLQIEISA-N 1 2 216.288 1.966 20 0 BDADLO COc1cc(C[N@H+](C)CCF)cc(OC)n1 ZINC001237562425 979939486 /nfs/dbraw/zinc/93/94/86/979939486.db2.gz OPAPFGZSDFNABJ-UHFFFAOYSA-N 1 2 228.267 1.500 20 0 BDADLO COc1cc(C[N@@H+](C)CCF)cc(OC)n1 ZINC001237562425 979939491 /nfs/dbraw/zinc/93/94/91/979939491.db2.gz OPAPFGZSDFNABJ-UHFFFAOYSA-N 1 2 228.267 1.500 20 0 BDADLO C[NH+](C)CC(C)(C)[NH2+]CC1(CC(=O)[O-])CC1 ZINC001606018229 979942526 /nfs/dbraw/zinc/94/25/26/979942526.db2.gz SQNRPBOPRUZREA-UHFFFAOYSA-N 1 2 228.336 1.171 20 0 BDADLO CCn1cncc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001237588940 979950864 /nfs/dbraw/zinc/95/08/64/979950864.db2.gz ZZYJAYKEFRDJMO-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cncc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001237588940 979950871 /nfs/dbraw/zinc/95/08/71/979950871.db2.gz ZZYJAYKEFRDJMO-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCn1c[nH+]cc1CN1CCc2cccnc2C1 ZINC001237597755 979954586 /nfs/dbraw/zinc/95/45/86/979954586.db2.gz XEJDUJALMQIOFW-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@H]2Cc2ccccn2)[nH]1 ZINC001237609165 979969547 /nfs/dbraw/zinc/96/95/47/979969547.db2.gz UMONHCHBDLJVTC-LBPRGKRZSA-N 1 2 243.314 1.407 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)[nH]1 ZINC001237609165 979969562 /nfs/dbraw/zinc/96/95/62/979969562.db2.gz UMONHCHBDLJVTC-LBPRGKRZSA-N 1 2 243.314 1.407 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)nc[nH+]1 ZINC001343020023 979980813 /nfs/dbraw/zinc/98/08/13/979980813.db2.gz MHCGQRFHLQGESG-IVZWLZJFSA-N 1 2 236.319 1.520 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)[nH+]cn1 ZINC001343020023 979980818 /nfs/dbraw/zinc/98/08/18/979980818.db2.gz MHCGQRFHLQGESG-IVZWLZJFSA-N 1 2 236.319 1.520 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001237650161 980002913 /nfs/dbraw/zinc/00/29/13/980002913.db2.gz TYHWKUPYQIMSOK-VHSXEESVSA-N 1 2 208.261 1.204 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001237650161 980002923 /nfs/dbraw/zinc/00/29/23/980002923.db2.gz TYHWKUPYQIMSOK-VHSXEESVSA-N 1 2 208.261 1.204 20 0 BDADLO CCc1n[nH]cc1C[N@H+](C)Cc1cncnc1 ZINC001237657005 980018853 /nfs/dbraw/zinc/01/88/53/980018853.db2.gz WRIZZPSOYNFPGH-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](C)Cc1cncnc1 ZINC001237657005 980018861 /nfs/dbraw/zinc/01/88/61/980018861.db2.gz WRIZZPSOYNFPGH-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237660149 980024179 /nfs/dbraw/zinc/02/41/79/980024179.db2.gz UMSUHOLQGYDZSL-CYBMUJFWSA-N 1 2 235.331 1.727 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237660149 980024191 /nfs/dbraw/zinc/02/41/91/980024191.db2.gz UMSUHOLQGYDZSL-CYBMUJFWSA-N 1 2 235.331 1.727 20 0 BDADLO Oc1ccc(CN2CCn3c[nH+]cc3C2)cc1F ZINC001343170973 980029991 /nfs/dbraw/zinc/02/99/91/980029991.db2.gz QLRFTENETKUDMN-UHFFFAOYSA-N 1 2 247.273 1.744 20 0 BDADLO Cc1sccc1C[NH+]1CC2(C1)CS(=O)C2 ZINC001237969860 980120870 /nfs/dbraw/zinc/12/08/70/980120870.db2.gz RDPGGMKFXWSQGC-UHFFFAOYSA-N 1 2 241.381 1.621 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2cc(O)ccc2C)C1 ZINC001238104808 980158680 /nfs/dbraw/zinc/15/86/80/980158680.db2.gz BGVFGYUGOKAMLM-UHFFFAOYSA-N 1 2 248.326 1.363 20 0 BDADLO CC[N@H+](Cc1cscn1)[C@H](C)CNC(C)=O ZINC001151435196 980160594 /nfs/dbraw/zinc/16/05/94/980160594.db2.gz NWUJTILUHJUXSD-SECBINFHSA-N 1 2 241.360 1.490 20 0 BDADLO CC[N@@H+](Cc1cscn1)[C@H](C)CNC(C)=O ZINC001151435196 980160599 /nfs/dbraw/zinc/16/05/99/980160599.db2.gz NWUJTILUHJUXSD-SECBINFHSA-N 1 2 241.360 1.490 20 0 BDADLO O=C(CCn1cc[nH+]c1)NN1C[C@H]2CCC[C@@H]2C1 ZINC001608164393 980173338 /nfs/dbraw/zinc/17/33/38/980173338.db2.gz ZBNIYTVUHCDFRN-VXGBXAGGSA-N 1 2 248.330 1.036 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC2(C)CCC2)c1 ZINC001185103563 980176772 /nfs/dbraw/zinc/17/67/72/980176772.db2.gz OVIQNHHWBZNSLN-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1ncncc1C[N@H+](C)Cc1ccccn1 ZINC001238165183 980197720 /nfs/dbraw/zinc/19/77/20/980197720.db2.gz SCFQUKJIMKWTCY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncncc1C[N@@H+](C)Cc1ccccn1 ZINC001238165183 980197725 /nfs/dbraw/zinc/19/77/25/980197725.db2.gz SCFQUKJIMKWTCY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCc2cccnc2C1 ZINC001238176030 980205976 /nfs/dbraw/zinc/20/59/76/980205976.db2.gz RTGHRNRAZGOKQX-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ncncc1C[N@H+]1CCc2cccnc2C1 ZINC001238176030 980205979 /nfs/dbraw/zinc/20/59/79/980205979.db2.gz RTGHRNRAZGOKQX-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1noc(C2CC2)c1NC(=O)Cn1cc[nH+]c1 ZINC001343725410 980222923 /nfs/dbraw/zinc/22/29/23/980222923.db2.gz MNTFLZWLCYGOBJ-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC001608530752 980223353 /nfs/dbraw/zinc/22/33/53/980223353.db2.gz DBOBMJWPRVNAJI-NWDGAFQWSA-N 1 2 249.314 1.383 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC001608530752 980223359 /nfs/dbraw/zinc/22/33/59/980223359.db2.gz DBOBMJWPRVNAJI-NWDGAFQWSA-N 1 2 249.314 1.383 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)nn1 ZINC001343789958 980236623 /nfs/dbraw/zinc/23/66/23/980236623.db2.gz LMUJSYSVKVSGMT-SECBINFHSA-N 1 2 244.289 1.946 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H](C(F)F)C2)nn1 ZINC001343789958 980236627 /nfs/dbraw/zinc/23/66/27/980236627.db2.gz LMUJSYSVKVSGMT-SECBINFHSA-N 1 2 244.289 1.946 20 0 BDADLO Cc1cnc(C[NH+]2CCN(C)CC2)c(C)c1 ZINC001238435191 980250676 /nfs/dbraw/zinc/25/06/76/980250676.db2.gz SUSUBFMAHYIEMQ-UHFFFAOYSA-N 1 2 219.332 1.446 20 0 BDADLO CC1C[NH+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238806259 980327139 /nfs/dbraw/zinc/32/71/39/980327139.db2.gz KNBNRKWSGBNXDQ-UHFFFAOYSA-N 1 2 229.287 1.114 20 0 BDADLO CC1(C)C[NH+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238810421 980328143 /nfs/dbraw/zinc/32/81/43/980328143.db2.gz PQUZHXBJRQUPKS-UHFFFAOYSA-N 1 2 243.314 1.504 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc2c(c1)OCO2 ZINC000074673654 980381372 /nfs/dbraw/zinc/38/13/72/980381372.db2.gz WVJAOXFLSYJAHB-UHFFFAOYSA-N 1 2 245.238 1.320 20 0 BDADLO CC(=O)c1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000074673583 980383151 /nfs/dbraw/zinc/38/31/51/980383151.db2.gz ZNZYYCZDKFSKEG-UHFFFAOYSA-N 1 2 243.266 1.794 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001344391086 980384984 /nfs/dbraw/zinc/38/49/84/980384984.db2.gz CLTYXCCBXADMQU-UHFFFAOYSA-N 1 2 248.286 1.610 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001344391086 980384990 /nfs/dbraw/zinc/38/49/90/980384990.db2.gz CLTYXCCBXADMQU-UHFFFAOYSA-N 1 2 248.286 1.610 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(/C=C/C(C)(C)O)cc1 ZINC001239157660 980470821 /nfs/dbraw/zinc/47/08/21/980470821.db2.gz DTOVICKAGQZZME-IDVQTMNDSA-N 1 2 249.310 1.644 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2ncccc2C(N)=O)c1 ZINC001203656450 980488040 /nfs/dbraw/zinc/48/80/40/980488040.db2.gz UDLATOQAFNOGNI-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@@H]1F ZINC001345070809 980540207 /nfs/dbraw/zinc/54/02/07/980540207.db2.gz DVKALOJWXCUHIU-UWVGGRQHSA-N 1 2 234.230 1.736 20 0 BDADLO O=C1[C@H]([N@@H+]2CCC[C@@H](F)C2)CCN1C1CC1 ZINC001345109543 980553197 /nfs/dbraw/zinc/55/31/97/980553197.db2.gz UDZMNQUVZFGRMZ-MWLCHTKSSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@H]([N@H+]2CCC[C@@H](F)C2)CCN1C1CC1 ZINC001345109543 980553204 /nfs/dbraw/zinc/55/32/04/980553204.db2.gz UDZMNQUVZFGRMZ-MWLCHTKSSA-N 1 2 226.295 1.184 20 0 BDADLO COc1ccc(C(=O)NC2C[NH+](C)C2)c(C)c1C ZINC001188081178 980590876 /nfs/dbraw/zinc/59/08/76/980590876.db2.gz JQAZUFLUQMTHII-UHFFFAOYSA-N 1 2 248.326 1.356 20 0 BDADLO CC(C)(COC(=O)c1cccnn1)n1cc[nH+]c1 ZINC001345250481 980591363 /nfs/dbraw/zinc/59/13/63/980591363.db2.gz AMPXWOAHZGZNQU-UHFFFAOYSA-N 1 2 246.270 1.265 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345254104 980591683 /nfs/dbraw/zinc/59/16/83/980591683.db2.gz VSEGNENFBGYGIP-VHSXEESVSA-N 1 2 222.288 1.817 20 0 BDADLO Cc1cc(C2=CCOC2)c[nH+]c1N1CCOCC1 ZINC001239481670 980626032 /nfs/dbraw/zinc/62/60/32/980626032.db2.gz NIXLDIUBRZMOII-UHFFFAOYSA-N 1 2 246.310 1.640 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)OCc1c[nH+]cn1CC ZINC001345590331 980637146 /nfs/dbraw/zinc/63/71/46/980637146.db2.gz MUEQSKBYHCQALM-GHMZBOCLSA-N 1 2 238.287 1.371 20 0 BDADLO CCO[C@@H](CC)C(=O)OCc1c[nH+]cn1CC ZINC001345996657 980726355 /nfs/dbraw/zinc/72/63/55/980726355.db2.gz SEBRBYHULPJBCU-NSHDSACASA-N 1 2 240.303 1.761 20 0 BDADLO CCN(C(=O)c1cc(C)[nH]c1C)C1C[NH+](C)C1 ZINC001188997175 980730232 /nfs/dbraw/zinc/73/02/32/980730232.db2.gz FMICFJHVOUAGPM-UHFFFAOYSA-N 1 2 235.331 1.408 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCc1ccncc1 ZINC001346071344 980745375 /nfs/dbraw/zinc/74/53/75/980745375.db2.gz GOGBIRQNCNTKTE-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO FC(F)n1cc(CCn2cc[nH+]c2)cn1 ZINC001250316644 980756828 /nfs/dbraw/zinc/75/68/28/980756828.db2.gz QNOJSSZKNGJVHZ-UHFFFAOYSA-N 1 2 212.203 1.717 20 0 BDADLO C[C@@H](CC(=O)OCCc1cnoc1)n1cc[nH+]c1 ZINC001346178047 980774968 /nfs/dbraw/zinc/77/49/68/980774968.db2.gz OZWOMTCOSGANLH-JTQLQIEISA-N 1 2 249.270 1.608 20 0 BDADLO CN1CCOc2cc(-c3ccc[nH+]c3N)cnc21 ZINC001239607975 980802302 /nfs/dbraw/zinc/80/23/02/980802302.db2.gz SAWSENISWKBZRG-UHFFFAOYSA-N 1 2 242.282 1.554 20 0 BDADLO CCc1cccc(C)c1NC(=O)NC1C[NH+](C)C1 ZINC001189990049 980840675 /nfs/dbraw/zinc/84/06/75/980840675.db2.gz ROIUBGNTBMDEOJ-UHFFFAOYSA-N 1 2 247.342 1.993 20 0 BDADLO C=Cn1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cn1 ZINC001346841738 980918492 /nfs/dbraw/zinc/91/84/92/980918492.db2.gz GBDVRZDNGGYTSE-KOLCDFICSA-N 1 2 244.302 1.371 20 0 BDADLO c1nonc1C[NH2+]C1(c2ccccc2)CC1 ZINC001347105384 980973625 /nfs/dbraw/zinc/97/36/25/980973625.db2.gz WTXDGFHUJAAPSZ-UHFFFAOYSA-N 1 2 215.256 1.849 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC=C(F)C1 ZINC001347116194 980977938 /nfs/dbraw/zinc/97/79/38/980977938.db2.gz QRPZSWMKSVZIDF-UHFFFAOYSA-N 1 2 237.278 1.438 20 0 BDADLO CCn1cccc1C(=O)NCCc1c[nH+]cn1C ZINC001347127411 980984536 /nfs/dbraw/zinc/98/45/36/980984536.db2.gz LLPIXPDHAGVLNX-UHFFFAOYSA-N 1 2 246.314 1.214 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCCCC1 ZINC001347176722 981002992 /nfs/dbraw/zinc/00/29/92/981002992.db2.gz OFGMRBGLRIDOPQ-UHFFFAOYSA-N 1 2 221.304 1.365 20 0 BDADLO CCOC[C@@H]1CC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001191473504 981036399 /nfs/dbraw/zinc/03/63/99/981036399.db2.gz FCBRIFSZVAZCLK-VHSXEESVSA-N 1 2 241.360 1.958 20 0 BDADLO CCOC[C@@H]1CC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001191473504 981036404 /nfs/dbraw/zinc/03/64/04/981036404.db2.gz FCBRIFSZVAZCLK-VHSXEESVSA-N 1 2 241.360 1.958 20 0 BDADLO O=S(=O)(CC1CCCC1)Nc1cc[nH+]cc1 ZINC001191477089 981038969 /nfs/dbraw/zinc/03/89/69/981038969.db2.gz MHERWVBGCSPCFD-UHFFFAOYSA-N 1 2 240.328 1.435 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)o1 ZINC001203289872 981084539 /nfs/dbraw/zinc/08/45/39/981084539.db2.gz BIKPCUWYISNVTL-NWDGAFQWSA-N 1 2 227.279 1.883 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)o1 ZINC001203289872 981084544 /nfs/dbraw/zinc/08/45/44/981084544.db2.gz BIKPCUWYISNVTL-NWDGAFQWSA-N 1 2 227.279 1.883 20 0 BDADLO CNC(=O)c1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001240013941 981101111 /nfs/dbraw/zinc/10/11/11/981101111.db2.gz BSRPSHDZNNXCRA-DXNUHORPSA-N 1 2 216.284 1.922 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735880 981156757 /nfs/dbraw/zinc/15/67/57/981156757.db2.gz PFJRBWVFFNZAPE-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(C)CC=CC1 ZINC001347744833 981159096 /nfs/dbraw/zinc/15/90/96/981159096.db2.gz DPDYGUQTNGPGLL-UHFFFAOYSA-N 1 2 233.315 1.435 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(CO)on1 ZINC001347758316 981163383 /nfs/dbraw/zinc/16/33/83/981163383.db2.gz CFOUEYRCMKJCAA-MRVPVSSYSA-N 1 2 236.275 1.049 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1C[C@H]1F)n1cc[nH+]c1 ZINC001347832141 981189792 /nfs/dbraw/zinc/18/97/92/981189792.db2.gz OYJLVCIZRRQPEU-RKDXNWHRSA-N 1 2 225.267 1.092 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C2CCC2)co1 ZINC001347946886 981223393 /nfs/dbraw/zinc/22/33/93/981223393.db2.gz WCSKHGVIXACWFQ-UHFFFAOYSA-N 1 2 237.303 1.153 20 0 BDADLO Cc1ncccc1NC(=O)CCc1[nH+]ccn1C ZINC001347979816 981234700 /nfs/dbraw/zinc/23/47/00/981234700.db2.gz DBSCGPQTUKLLON-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO CC[C@H]([NH2+]CCOC1CC1)c1noc(C)n1 ZINC001193252091 981277191 /nfs/dbraw/zinc/27/71/91/981277191.db2.gz WYLWCSHBDXHOBH-JTQLQIEISA-N 1 2 225.292 1.598 20 0 BDADLO C[C@]1(F)CCCN(c2cc(N)nc[nH+]2)C1 ZINC001348196383 981306175 /nfs/dbraw/zinc/30/61/75/981306175.db2.gz VLRZRFRFUNOJOS-JTQLQIEISA-N 1 2 210.256 1.387 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc2ncnn2c1 ZINC001240354798 981312017 /nfs/dbraw/zinc/31/20/17/981312017.db2.gz DPENCZIAFDXJFU-YGQDEOHPSA-N 1 2 200.245 1.605 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC12CCCC2 ZINC001348227597 981312275 /nfs/dbraw/zinc/31/22/75/981312275.db2.gz CPHKIQDYTYLFCM-NSHDSACASA-N 1 2 247.342 1.659 20 0 BDADLO CC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CC=CC1 ZINC001348326035 981336354 /nfs/dbraw/zinc/33/63/54/981336354.db2.gz FHDFXZCQHYBSIQ-NSHDSACASA-N 1 2 241.306 1.930 20 0 BDADLO CC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CC=CC1 ZINC001348326035 981336362 /nfs/dbraw/zinc/33/63/62/981336362.db2.gz FHDFXZCQHYBSIQ-NSHDSACASA-N 1 2 241.306 1.930 20 0 BDADLO CC(C)OC(=O)NCc1c[nH+]cn1CCF ZINC001193521689 981370160 /nfs/dbraw/zinc/37/01/60/981370160.db2.gz OOALRKAGWNARNK-UHFFFAOYSA-N 1 2 229.255 1.487 20 0 BDADLO Cc1nocc1C(=O)OCCCc1c[nH+]cn1C ZINC001348639408 981411895 /nfs/dbraw/zinc/41/18/95/981411895.db2.gz YMPPEGQIZUPSAQ-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO COc1ncc(F)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496187 981415881 /nfs/dbraw/zinc/41/58/81/981415881.db2.gz HNIMVPMWKMIGHZ-UHFFFAOYSA-N 1 2 244.229 1.939 20 0 BDADLO c1cn2ccc(-c3ncc4c(n3)COC4)cc2[nH+]1 ZINC001240503380 981432105 /nfs/dbraw/zinc/43/21/05/981432105.db2.gz NLMWWOGAARLJES-UHFFFAOYSA-N 1 2 238.250 1.822 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccc2c[nH]nc21 ZINC001348830360 981451918 /nfs/dbraw/zinc/45/19/18/981451918.db2.gz BGVYMYJQEFMSDH-UHFFFAOYSA-N 1 2 243.270 1.544 20 0 BDADLO CC(C)COC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001193865486 981486530 /nfs/dbraw/zinc/48/65/30/981486530.db2.gz ZQTMNNSBEGRPAP-NSHDSACASA-N 1 2 244.335 1.089 20 0 BDADLO CC(C)COC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001193865486 981486533 /nfs/dbraw/zinc/48/65/33/981486533.db2.gz ZQTMNNSBEGRPAP-NSHDSACASA-N 1 2 244.335 1.089 20 0 BDADLO COc1cc(-c2c[nH+]cn2C)cnc1OC ZINC001240620302 981495091 /nfs/dbraw/zinc/49/50/91/981495091.db2.gz FIAKAWGQHKTXBU-UHFFFAOYSA-N 1 2 219.244 1.499 20 0 BDADLO COCCn1cc(-c2cccc3[nH+]ccn32)cn1 ZINC001240627970 981518955 /nfs/dbraw/zinc/51/89/55/981518955.db2.gz NLEITJQYEZZELH-UHFFFAOYSA-N 1 2 242.282 1.844 20 0 BDADLO Nc1[nH+]cccc1-c1cnn([C@H]2CCOC2)c1 ZINC001240630926 981521338 /nfs/dbraw/zinc/52/13/38/981521338.db2.gz VXCUOJVLZAPKNA-JTQLQIEISA-N 1 2 230.271 1.489 20 0 BDADLO COC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001193942080 981527575 /nfs/dbraw/zinc/52/75/75/981527575.db2.gz GLRVUFRHCCNFIC-UHFFFAOYSA-N 1 2 223.207 1.329 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C3(O)CC3)CC2)o1 ZINC001349498596 981566394 /nfs/dbraw/zinc/56/63/94/981566394.db2.gz DGYYMIOINIFQTG-UHFFFAOYSA-N 1 2 237.303 1.115 20 0 BDADLO CCCOC(=O)NCc1c[nH+]cn1CCF ZINC001194149172 981577308 /nfs/dbraw/zinc/57/73/08/981577308.db2.gz ALJZLPIPGMTBHW-UHFFFAOYSA-N 1 2 229.255 1.489 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cccn2C2CC2)n1 ZINC001349761376 981708743 /nfs/dbraw/zinc/70/87/43/981708743.db2.gz CPTXGDQOISQIDJ-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cccn2C2CC2)n1 ZINC001349788743 981739260 /nfs/dbraw/zinc/73/92/60/981739260.db2.gz UMZJRUJVRXINKM-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC001194385598 981792850 /nfs/dbraw/zinc/79/28/50/981792850.db2.gz RGWYWONPXUVHIN-XVKPBYJWSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC001194385598 981792822 /nfs/dbraw/zinc/79/28/22/981792822.db2.gz RGWYWONPXUVHIN-XVKPBYJWSA-N 1 2 244.697 1.829 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC23CCC3)c1 ZINC001583333810 981813944 /nfs/dbraw/zinc/81/39/44/981813944.db2.gz ROIDILRXGSGMBG-LLVKDONJSA-N 1 2 233.315 1.269 20 0 BDADLO CO[C@@H]1CCC[C@@H](c2nnc(C[NH+](C)C)o2)C1 ZINC001349984597 981837344 /nfs/dbraw/zinc/83/73/44/981837344.db2.gz CQMRHHAJCKJBLM-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1cc(NC(=O)Cc2cnccc2C)cc[nH+]1 ZINC001584004677 981850974 /nfs/dbraw/zinc/85/09/74/981850974.db2.gz HASBPCZZAKTTFP-UHFFFAOYSA-N 1 2 241.294 1.697 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001588597653 981855995 /nfs/dbraw/zinc/85/59/95/981855995.db2.gz XPDPEAXJRGHEFX-ZJUUUORDSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001588597653 981855997 /nfs/dbraw/zinc/85/59/97/981855997.db2.gz XPDPEAXJRGHEFX-ZJUUUORDSA-N 1 2 237.303 1.073 20 0 BDADLO Cc1cc(-c2ccn3cc(N)[nH+]c3c2)n(C)n1 ZINC001240859045 981898110 /nfs/dbraw/zinc/89/81/10/981898110.db2.gz ZRDNBTFRYDIECL-UHFFFAOYSA-N 1 2 227.271 1.625 20 0 BDADLO CC[C@H](C)COC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001194813974 981908709 /nfs/dbraw/zinc/90/87/09/981908709.db2.gz COFSRAOIXCDKBB-QWRGUYRKSA-N 1 2 244.335 1.089 20 0 BDADLO CC[C@H](C)COC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001194813974 981908717 /nfs/dbraw/zinc/90/87/17/981908717.db2.gz COFSRAOIXCDKBB-QWRGUYRKSA-N 1 2 244.335 1.089 20 0 BDADLO C[C@H](C(=O)NCc1ccns1)n1cc[nH+]c1 ZINC001350445476 981977043 /nfs/dbraw/zinc/97/70/43/981977043.db2.gz WLHDYCJHWJXOOK-MRVPVSSYSA-N 1 2 236.300 1.217 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ncc(C)o1 ZINC001194974758 981980760 /nfs/dbraw/zinc/98/07/60/981980760.db2.gz NJNNBULUADHQPQ-LPEHRKFASA-N 1 2 226.276 1.047 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCF)C1 ZINC001350589932 982012851 /nfs/dbraw/zinc/01/28/51/982012851.db2.gz RDRYKSXWLBLALC-VIFPVBQESA-N 1 2 225.267 1.096 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Oc1ccc(F)cc1 ZINC001194998829 982028778 /nfs/dbraw/zinc/02/87/78/982028778.db2.gz VQEJSPHXPQZSBE-UHFFFAOYSA-N 1 2 249.245 1.848 20 0 BDADLO CC[C@@H](C)OC(=O)N(CC)C1C[NH+](C)C1 ZINC001195111884 982094583 /nfs/dbraw/zinc/09/45/83/982094583.db2.gz LHRFCILDWHXKOS-SECBINFHSA-N 1 2 214.309 1.557 20 0 BDADLO C[C@H]([NH2+]CC1(C)OCCO1)c1ncco1 ZINC001350959200 982136927 /nfs/dbraw/zinc/13/69/27/982136927.db2.gz XCJMOQBMHOREFS-QMMMGPOBSA-N 1 2 212.249 1.088 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cc(CO)on1)c1cn[nH]c1 ZINC001350959390 982137022 /nfs/dbraw/zinc/13/70/22/982137022.db2.gz YTXWMSBCQPXWND-HTQZYQBOSA-N 1 2 236.275 1.302 20 0 BDADLO C1=C[C@@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001588389718 982166087 /nfs/dbraw/zinc/16/60/87/982166087.db2.gz ZEAKGOQKPMPNJD-SSDOTTSWSA-N 1 2 248.315 1.131 20 0 BDADLO C[C@H](C(=O)N1CC(CC2CC2)C1)n1cc[nH+]c1 ZINC001351279745 982257616 /nfs/dbraw/zinc/25/76/16/982257616.db2.gz TVAARGWNLPOOAF-SNVBAGLBSA-N 1 2 233.315 1.703 20 0 BDADLO Nc1cc(-c2cnc3ocnc3c2)cc[nH+]1 ZINC001241163764 982259716 /nfs/dbraw/zinc/25/97/16/982259716.db2.gz ZPJKFISPCMXDDK-UHFFFAOYSA-N 1 2 212.212 1.867 20 0 BDADLO Nc1cc(-c2ccc3ncoc(=O)c3c2)cc[nH+]1 ZINC001241162813 982303992 /nfs/dbraw/zinc/30/39/92/982303992.db2.gz MQQPLILPMVDRCQ-UHFFFAOYSA-N 1 2 239.234 1.832 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC001351427195 982311898 /nfs/dbraw/zinc/31/18/98/982311898.db2.gz NYOZKLFCXZAAAZ-LBPRGKRZSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1cc(C[NH+]2CC(Cc3ccco3)C2)[nH]n1 ZINC001351627449 982346503 /nfs/dbraw/zinc/34/65/03/982346503.db2.gz GYUGOTPOPGUYGG-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO C[C@H](C(=O)N[C@H]1CO[C@@H](C2CC2)C1)n1cc[nH+]c1 ZINC001351652989 982351024 /nfs/dbraw/zinc/35/10/24/982351024.db2.gz LCLIRIGDMSGUCC-YUSALJHKSA-N 1 2 249.314 1.128 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001195886977 982371561 /nfs/dbraw/zinc/37/15/61/982371561.db2.gz JJUHHEFIXGOHNV-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO COc1cnc(-c2c[nH+]c(N(C)C)cc2C)cn1 ZINC001241229151 982379514 /nfs/dbraw/zinc/37/95/14/982379514.db2.gz YNAYEAVORKKJSN-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO CC[C@H](O)C[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785904 982595823 /nfs/dbraw/zinc/59/58/23/982595823.db2.gz LLSKIHMMFQFLKV-KOLCDFICSA-N 1 2 223.320 1.175 20 0 BDADLO CC[C@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785904 982595839 /nfs/dbraw/zinc/59/58/39/982595839.db2.gz LLSKIHMMFQFLKV-KOLCDFICSA-N 1 2 223.320 1.175 20 0 BDADLO CC[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001251763981 982676117 /nfs/dbraw/zinc/67/61/17/982676117.db2.gz UEHBVIIMGHJVDZ-PSASIEDQSA-N 1 2 210.277 1.318 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC(C)(C)C1CC1 ZINC001353095901 982693439 /nfs/dbraw/zinc/69/34/39/982693439.db2.gz DKRJZFHAYZPNAR-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001353552970 982887701 /nfs/dbraw/zinc/88/77/01/982887701.db2.gz CKQPSQSJXFZDPL-SNVBAGLBSA-N 1 2 239.294 1.864 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc[nH]n2)c(C)n1 ZINC001199118560 982889292 /nfs/dbraw/zinc/88/92/92/982889292.db2.gz OYRWRBKEYYNURV-UHFFFAOYSA-N 1 2 233.319 1.614 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2[nH]nc(N)c2c1 ZINC001241717936 982991767 /nfs/dbraw/zinc/99/17/67/982991767.db2.gz VOQNFVOLXSJBEL-UHFFFAOYSA-N 1 2 213.244 1.546 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccccc2C(=O)[O-])C[C@@H]1[NH3+] ZINC001205871989 983014715 /nfs/dbraw/zinc/01/47/15/983014715.db2.gz BHSGECUPUTUBRD-MFKMUULPSA-N 1 2 248.326 1.554 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])C[C@@H]1[NH3+] ZINC001205871989 983014722 /nfs/dbraw/zinc/01/47/22/983014722.db2.gz BHSGECUPUTUBRD-MFKMUULPSA-N 1 2 248.326 1.554 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(C)CC1 ZINC001353888223 983054256 /nfs/dbraw/zinc/05/42/56/983054256.db2.gz MIVGVCNUYVGKFS-GMTAPVOTSA-N 1 2 247.342 1.828 20 0 BDADLO CCOC[C@@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252020867 983084911 /nfs/dbraw/zinc/08/49/11/983084911.db2.gz GWEVBQITOLFPGU-NSHDSACASA-N 1 2 238.331 1.762 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ccncc2)[nH+]1 ZINC001472091814 983089019 /nfs/dbraw/zinc/08/90/19/983089019.db2.gz AACNGGLPAVKROM-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ccncc2)c[nH+]1 ZINC001472091814 983089029 /nfs/dbraw/zinc/08/90/29/983089029.db2.gz AACNGGLPAVKROM-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO C[C@@H]([NH3+])CONC(=O)C(C)(C)c1ccccc1 ZINC001354048498 983124991 /nfs/dbraw/zinc/12/49/91/983124991.db2.gz ZVVMXFFNFDBPCX-SNVBAGLBSA-N 1 2 236.315 1.359 20 0 BDADLO Cc1c[nH+]ccc1NC(=S)NCc1ccco1 ZINC001200552914 983135012 /nfs/dbraw/zinc/13/50/12/983135012.db2.gz VJYQNHVIENHHRN-UHFFFAOYSA-N 1 2 247.323 1.892 20 0 BDADLO COc1ccc(-c2c[nH+]cn2C)cc1CO ZINC001241927205 983146408 /nfs/dbraw/zinc/14/64/08/983146408.db2.gz WKNRTFVWJRVDLT-UHFFFAOYSA-N 1 2 218.256 1.588 20 0 BDADLO Cc1cc(CC(C)C)[nH+]cc1NC[C@H](O)CO ZINC001252055444 983149638 /nfs/dbraw/zinc/14/96/38/983149638.db2.gz PIWYVRCGGIJOTM-LBPRGKRZSA-N 1 2 238.331 1.354 20 0 BDADLO Nc1ccc(Nc2ccc(CCO)cc2)c[nH+]1 ZINC001201284078 983157395 /nfs/dbraw/zinc/15/73/95/983157395.db2.gz IRAGRCJVZAQLAW-UHFFFAOYSA-N 1 2 229.283 1.942 20 0 BDADLO COc1ccc(N)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201284696 983159017 /nfs/dbraw/zinc/15/90/17/983159017.db2.gz WFDOFQZBYOZOHJ-UHFFFAOYSA-N 1 2 230.271 1.998 20 0 BDADLO Cc1ccc(C(N)=O)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201285130 983160218 /nfs/dbraw/zinc/16/02/18/983160218.db2.gz AZKWGUSSYUEZJT-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO COc1ccc(Nc2ccc(N)[nH+]c2)c(CO)c1 ZINC001201285134 983160363 /nfs/dbraw/zinc/16/03/63/983160363.db2.gz BAVRDIWHTAWGSP-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO NC(=O)Cc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201291766 983169135 /nfs/dbraw/zinc/16/91/35/983169135.db2.gz BUUUFLUWXQXWAX-UHFFFAOYSA-N 1 2 242.282 1.435 20 0 BDADLO CSc1nccc(Nc2ccc(N)[nH+]c2)n1 ZINC001201272464 983172671 /nfs/dbraw/zinc/17/26/71/983172671.db2.gz OSNUHKFGFZAAMV-UHFFFAOYSA-N 1 2 233.300 1.919 20 0 BDADLO COC(=O)c1ccncc1Nc1ccc(N)[nH+]c1 ZINC001201271765 983173278 /nfs/dbraw/zinc/17/32/78/983173278.db2.gz BDWIHGGAWRYSQV-UHFFFAOYSA-N 1 2 244.254 1.589 20 0 BDADLO COC(=O)c1cncc(Nc2ccc(N)[nH+]c2)c1 ZINC001201275468 983176164 /nfs/dbraw/zinc/17/61/64/983176164.db2.gz FXZUZQAXZLXMRX-UHFFFAOYSA-N 1 2 244.254 1.589 20 0 BDADLO CCOC(=O)c1cc(N)cn1-c1ccc(N)[nH+]c1 ZINC001201278367 983178196 /nfs/dbraw/zinc/17/81/96/983178196.db2.gz IFMXSPKMGILANL-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO O=C1CC[N@@H+](C[C@@H]2CC=CCC2)C[C@@H]1F ZINC001201423800 983224082 /nfs/dbraw/zinc/22/40/82/983224082.db2.gz SSSKJYRYLXWMFP-MNOVXSKESA-N 1 2 211.280 1.956 20 0 BDADLO O=C1CC[N@H+](C[C@@H]2CC=CCC2)C[C@@H]1F ZINC001201423800 983224092 /nfs/dbraw/zinc/22/40/92/983224092.db2.gz SSSKJYRYLXWMFP-MNOVXSKESA-N 1 2 211.280 1.956 20 0 BDADLO Cc1nc(NCC2(n3cccn3)CC2)cc[nH+]1 ZINC001354279265 983249527 /nfs/dbraw/zinc/24/95/27/983249527.db2.gz FRTBRJZIQWDCBX-UHFFFAOYSA-N 1 2 229.287 1.583 20 0 BDADLO CNC(=S)NCc1c[nH+]cn1C1CCC1 ZINC001200617752 983251479 /nfs/dbraw/zinc/25/14/79/983251479.db2.gz WDLNMUFZWKTIEQ-UHFFFAOYSA-N 1 2 224.333 1.202 20 0 BDADLO CCC(CC)C[N@@H+]1CCN(C)C[C@H]1C(=O)OC ZINC001201534694 983288744 /nfs/dbraw/zinc/28/87/44/983288744.db2.gz NVXZZRBGOAUSRN-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCC(CC)C[N@H+]1CCN(C)C[C@H]1C(=O)OC ZINC001201534694 983288754 /nfs/dbraw/zinc/28/87/54/983288754.db2.gz NVXZZRBGOAUSRN-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2cccnc21 ZINC001242070520 983305682 /nfs/dbraw/zinc/30/56/82/983305682.db2.gz AEUKPWSIYIEVTI-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO COc1nnc(-c2c[nH+]c(N)cc2C)cc1C ZINC001242072113 983307667 /nfs/dbraw/zinc/30/76/67/983307667.db2.gz BUCBKIIQIWNVDM-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO CNc1ccnc(-c2c[nH+]c(N)cc2C)n1 ZINC001242072301 983308464 /nfs/dbraw/zinc/30/84/64/983308464.db2.gz IIEGIVXYAQGMFC-UHFFFAOYSA-N 1 2 215.260 1.471 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC001354636778 983337089 /nfs/dbraw/zinc/33/70/89/983337089.db2.gz XOENGWAOAAPGTO-GHMZBOCLSA-N 1 2 244.302 1.076 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC001354636778 983337091 /nfs/dbraw/zinc/33/70/91/983337091.db2.gz XOENGWAOAAPGTO-GHMZBOCLSA-N 1 2 244.302 1.076 20 0 BDADLO CCCN1CC[N@H+](Cc2ccccc2)[C@@H](CO)C1 ZINC001201634172 983362048 /nfs/dbraw/zinc/36/20/48/983362048.db2.gz NGXUGWTVGDMNCW-OAHLLOKOSA-N 1 2 248.370 1.575 20 0 BDADLO CCCN1CC[N@@H+](Cc2ccccc2)[C@@H](CO)C1 ZINC001201634172 983362055 /nfs/dbraw/zinc/36/20/55/983362055.db2.gz NGXUGWTVGDMNCW-OAHLLOKOSA-N 1 2 248.370 1.575 20 0 BDADLO CCC[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001201636557 983366141 /nfs/dbraw/zinc/36/61/41/983366141.db2.gz DTJXRZZSOFSHDC-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO CCC[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001201636557 983366144 /nfs/dbraw/zinc/36/61/44/983366144.db2.gz DTJXRZZSOFSHDC-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO CCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001201648510 983401606 /nfs/dbraw/zinc/40/16/06/983401606.db2.gz ZLXVKEXPGIBURL-LBPRGKRZSA-N 1 2 206.289 1.865 20 0 BDADLO CCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001201648510 983401611 /nfs/dbraw/zinc/40/16/11/983401611.db2.gz ZLXVKEXPGIBURL-LBPRGKRZSA-N 1 2 206.289 1.865 20 0 BDADLO CC(=O)OC1C[NH+](CCCc2ccccc2)C1 ZINC001201663243 983406815 /nfs/dbraw/zinc/40/68/15/983406815.db2.gz CDMYLDARQUIWPY-UHFFFAOYSA-N 1 2 233.311 1.867 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@H](C)c1cnccn1 ZINC001355369755 983481223 /nfs/dbraw/zinc/48/12/23/983481223.db2.gz CNQVAGKDZWPHJF-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cccn2C2CC2)C[C@@H]1F ZINC001355372970 983481593 /nfs/dbraw/zinc/48/15/93/983481593.db2.gz HKMMTUAGRVAJHI-STQMWFEESA-N 1 2 238.306 1.728 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cccn2C2CC2)C[C@@H]1F ZINC001355372970 983481602 /nfs/dbraw/zinc/48/16/02/983481602.db2.gz HKMMTUAGRVAJHI-STQMWFEESA-N 1 2 238.306 1.728 20 0 BDADLO Cc1cccnc1C[NH2+][C@H](C)c1nncn1C ZINC000161806877 983540278 /nfs/dbraw/zinc/54/02/78/983540278.db2.gz SPACYNDROJOUDE-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO COC(=O)CCC[N@H+](C)CC(=O)c1ccccc1 ZINC001202253335 983606191 /nfs/dbraw/zinc/60/61/91/983606191.db2.gz RBHNYHKYQHLILO-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO COC(=O)CCC[N@@H+](C)CC(=O)c1ccccc1 ZINC001202253335 983606195 /nfs/dbraw/zinc/60/61/95/983606195.db2.gz RBHNYHKYQHLILO-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC001252108161 983665798 /nfs/dbraw/zinc/66/57/98/983665798.db2.gz LPLWOMJRJIAVPW-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO Cc1[nH+]cc(NC(=O)NC(C)(C)C)n1C ZINC001202470890 983678398 /nfs/dbraw/zinc/67/83/98/983678398.db2.gz LZNKNRQZGUNYFU-UHFFFAOYSA-N 1 2 210.281 1.649 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(-n2ccnn2)cc1 ZINC001242414784 983727091 /nfs/dbraw/zinc/72/70/91/983727091.db2.gz GSNWQESISKXUGJ-UHFFFAOYSA-N 1 2 225.255 1.668 20 0 BDADLO CCc1ncoc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC001357826884 983793381 /nfs/dbraw/zinc/79/33/81/983793381.db2.gz SMQMMFGNVVVNMD-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO Cc1nc(CNC(=O)[C@@H](C)n2cc[nH+]c2)oc1C ZINC000049215883 983801525 /nfs/dbraw/zinc/80/15/25/983801525.db2.gz OBULXALAMWIQHF-SECBINFHSA-N 1 2 248.286 1.365 20 0 BDADLO Nc1cncc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001242502493 983825649 /nfs/dbraw/zinc/82/56/49/983825649.db2.gz AMMSECNFEWETES-UHFFFAOYSA-N 1 2 226.283 1.727 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)n1 ZINC001473538809 983888269 /nfs/dbraw/zinc/88/82/69/983888269.db2.gz AACNBPZHUPAXFP-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834676 983897208 /nfs/dbraw/zinc/89/72/08/983897208.db2.gz UKEIMPUGLSIWRO-QWRGUYRKSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834676 983897210 /nfs/dbraw/zinc/89/72/10/983897210.db2.gz UKEIMPUGLSIWRO-QWRGUYRKSA-N 1 2 249.314 1.218 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cnn(C)n2)c(C)n1 ZINC001474155056 983897609 /nfs/dbraw/zinc/89/76/09/983897609.db2.gz YYBJSEAWKOJDJL-UHFFFAOYSA-N 1 2 248.334 1.020 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc[nH]2)n1 ZINC001560428083 983935596 /nfs/dbraw/zinc/93/55/96/983935596.db2.gz ZZNANWUVSJZGOG-SECBINFHSA-N 1 2 233.319 1.785 20 0 BDADLO CCC[C@](C)(CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001137870384 983939926 /nfs/dbraw/zinc/93/99/26/983939926.db2.gz QHGRCEFOAUKTJS-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO CCNC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001202550021 984019883 /nfs/dbraw/zinc/01/98/83/984019883.db2.gz PJLYRZKRRPXRPM-UHFFFAOYSA-N 1 2 232.287 1.462 20 0 BDADLO CCNC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001202557850 984057407 /nfs/dbraw/zinc/05/74/07/984057407.db2.gz SMYIBEDHSIUCCT-UHFFFAOYSA-N 1 2 222.292 1.427 20 0 BDADLO CCCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC001253549726 984201107 /nfs/dbraw/zinc/20/11/07/984201107.db2.gz DKGQCVGYNWHRKG-NEPJUHHUSA-N 1 2 243.347 1.469 20 0 BDADLO FC1CN(C2C[NH+](Cc3cccs3)C2)C1 ZINC001204013488 984209967 /nfs/dbraw/zinc/20/99/67/984209967.db2.gz VDDSOXMXTYCVJE-UHFFFAOYSA-N 1 2 226.320 1.586 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2nccs2)cc1 ZINC001242897983 984259269 /nfs/dbraw/zinc/25/92/69/984259269.db2.gz OCXBGINJYGLTFW-SNVBAGLBSA-N 1 2 248.307 1.983 20 0 BDADLO COc1nccc(/C(C)=C/C=C/[NH3+])c1OC ZINC001242958887 984321808 /nfs/dbraw/zinc/32/18/08/984321808.db2.gz NIILCGIBQHWUQS-XCIOYXGDSA-N 1 2 220.272 1.975 20 0 BDADLO CCc1occc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001436619305 984335232 /nfs/dbraw/zinc/33/52/32/984335232.db2.gz BHJHFRFGWRNZML-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO Cc1cc(F)cnc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274453535 984343423 /nfs/dbraw/zinc/34/34/23/984343423.db2.gz BHZFQFKPWDUPRT-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1cc(F)cnc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274453535 984343429 /nfs/dbraw/zinc/34/34/29/984343429.db2.gz BHZFQFKPWDUPRT-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1coc(C[NH2+]Cc2cnccn2)c1 ZINC000718036940 984377710 /nfs/dbraw/zinc/37/77/10/984377710.db2.gz GMJXWHSQCCLXQX-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO COc1nccc(-c2c[nH+]cn2C)c1N ZINC001243067144 984479447 /nfs/dbraw/zinc/47/94/47/984479447.db2.gz PZVPGGDRGOVPRB-UHFFFAOYSA-N 1 2 204.233 1.073 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(Cn2cncn2)cc1 ZINC001243069120 984490368 /nfs/dbraw/zinc/49/03/68/984490368.db2.gz POVFEDNDNVGBQY-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO CN1CCC12C[NH+](CCCC(F)(F)F)C2 ZINC001275165450 984508157 /nfs/dbraw/zinc/50/81/57/984508157.db2.gz FKEZSEZLMDDNKJ-UHFFFAOYSA-N 1 2 222.254 1.719 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2COCc3ccccc32)c1 ZINC001308439988 984581419 /nfs/dbraw/zinc/58/14/19/984581419.db2.gz ACPWVJDFAKAKPL-CQSZACIVSA-N 1 2 243.310 1.781 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccsn2)c1 ZINC001446760795 984684129 /nfs/dbraw/zinc/68/41/29/984684129.db2.gz HOXJADRDKQLOIM-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO CC[NH2+]CC(=O)N=c1sc2ccccc2n1C ZINC001577830096 984808317 /nfs/dbraw/zinc/80/83/17/984808317.db2.gz JUEJGKFUAMXRQG-UHFFFAOYSA-N 1 2 249.339 1.277 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc(N2CCCC2)nc1 ZINC001243312440 984826876 /nfs/dbraw/zinc/82/68/76/984826876.db2.gz JOAKVYRHVWPOAW-KGUOMNFLSA-N 1 2 230.315 1.953 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]1C1CC1 ZINC001449995385 984854803 /nfs/dbraw/zinc/85/48/03/984854803.db2.gz AHZMYJGUABUQQQ-NWDGAFQWSA-N 1 2 245.326 1.456 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110903774 984867741 /nfs/dbraw/zinc/86/77/41/984867741.db2.gz UUWSUZCXEOQZKV-DBIOUOCHSA-N 1 2 246.301 1.426 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110903774 984867743 /nfs/dbraw/zinc/86/77/43/984867743.db2.gz UUWSUZCXEOQZKV-DBIOUOCHSA-N 1 2 246.301 1.426 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257417093 984975954 /nfs/dbraw/zinc/97/59/54/984975954.db2.gz XAEIQTGEEGYLEL-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO CC(=O)Nc1cc(C)c(-c2ccc[nH+]c2N)cn1 ZINC001243473184 985015757 /nfs/dbraw/zinc/01/57/57/985015757.db2.gz GHQCANZWRGUBLQ-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO Nc1cn2ccc(-c3cccnc3N)cc2[nH+]1 ZINC001243475456 985030197 /nfs/dbraw/zinc/03/01/97/985030197.db2.gz ZTMWMVNZLFNPPB-UHFFFAOYSA-N 1 2 225.255 1.561 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)OCC(=O)N2 ZINC001243475469 985031441 /nfs/dbraw/zinc/03/14/41/985031441.db2.gz IRLVQXDDTLFUEE-UHFFFAOYSA-N 1 2 241.250 1.662 20 0 BDADLO COC(=O)c1ncc(-c2ccc[nH+]c2N)cc1F ZINC001243475463 985031539 /nfs/dbraw/zinc/03/15/39/985031539.db2.gz ZYSWLVXDGDXPFE-UHFFFAOYSA-N 1 2 247.229 1.652 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccns1 ZINC001454383408 985032845 /nfs/dbraw/zinc/03/28/45/985032845.db2.gz UVEWBQLFUKTZKS-UHFFFAOYSA-N 1 2 208.246 1.047 20 0 BDADLO NC(=O)c1ccc(F)cc1-c1ccc[nH+]c1N ZINC001243476581 985040745 /nfs/dbraw/zinc/04/07/45/985040745.db2.gz CVMWPQNIVVIQIY-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccsn1 ZINC001455120957 985058910 /nfs/dbraw/zinc/05/89/10/985058910.db2.gz MKNQZBMASOWSQE-HTQZYQBOSA-N 1 2 248.311 1.619 20 0 BDADLO C[C@@H](O)c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000686081250 985066749 /nfs/dbraw/zinc/06/67/49/985066749.db2.gz QBIQSZPBQALALB-SNVBAGLBSA-N 1 2 232.287 1.444 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)cc(O)c1C ZINC001455278202 985066984 /nfs/dbraw/zinc/06/69/84/985066984.db2.gz YAASJZHGZXVDNR-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@H](C)O[C@H]2C)n1 ZINC000686470226 985121466 /nfs/dbraw/zinc/12/14/66/985121466.db2.gz JIKIDUOSHUYGGE-XHNCKOQMSA-N 1 2 225.292 1.460 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1=COCC1 ZINC001456241675 985128180 /nfs/dbraw/zinc/12/81/80/985128180.db2.gz AVEOLVFLLOFMPG-UHFFFAOYSA-N 1 2 247.298 1.209 20 0 BDADLO Cn1c[nH+]cc1-c1cc(F)cc(CO)c1 ZINC001243696286 985224481 /nfs/dbraw/zinc/22/44/81/985224481.db2.gz BILIWHLNQDZULG-UHFFFAOYSA-N 1 2 206.220 1.719 20 0 BDADLO CC(C)c1cnc(C[N@H+](C)CCCO)o1 ZINC000687797654 985385169 /nfs/dbraw/zinc/38/51/69/985385169.db2.gz ZCFAQXFDMFHKAJ-UHFFFAOYSA-N 1 2 212.293 1.612 20 0 BDADLO CC(C)c1cnc(C[N@@H+](C)CCCO)o1 ZINC000687797654 985385179 /nfs/dbraw/zinc/38/51/79/985385179.db2.gz ZCFAQXFDMFHKAJ-UHFFFAOYSA-N 1 2 212.293 1.612 20 0 BDADLO Cc1cc(-c2cnc(N)nc2)c[nH+]c1N ZINC001243873794 985528882 /nfs/dbraw/zinc/52/88/82/985528882.db2.gz AGJWLWCDEMUXOV-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO CC(=O)C1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC000688073011 985543404 /nfs/dbraw/zinc/54/34/04/985543404.db2.gz JBWAVIZXGNRHAZ-UHFFFAOYSA-N 1 2 235.331 1.530 20 0 BDADLO COCc1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243947322 985623044 /nfs/dbraw/zinc/62/30/44/985623044.db2.gz HDAHIXWBBJPBHX-UHFFFAOYSA-N 1 2 205.261 1.347 20 0 BDADLO Cc1nc(C2=C[NH2+]CCC2)cc(-n2ccnc2)n1 ZINC001243948881 985639269 /nfs/dbraw/zinc/63/92/69/985639269.db2.gz DZKOCWFOZWETRT-UHFFFAOYSA-N 1 2 241.298 1.695 20 0 BDADLO c1nc(OCC2CC2)cc(C2=C[NH2+]CCC2)n1 ZINC001243949915 985644562 /nfs/dbraw/zinc/64/45/62/985644562.db2.gz UFSZQGFUVXTISC-UHFFFAOYSA-N 1 2 231.299 1.990 20 0 BDADLO Cc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)n1 ZINC001460224363 985809918 /nfs/dbraw/zinc/80/99/18/985809918.db2.gz QHMWQQACOXSWFB-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](C)C[C@H](CO)C2)no1 ZINC001460267858 985823283 /nfs/dbraw/zinc/82/32/83/985823283.db2.gz SVPNXYYNXKDWGT-YWVKMMECSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H](C)C[C@H](CO)C2)no1 ZINC001460267858 985823289 /nfs/dbraw/zinc/82/32/89/985823289.db2.gz SVPNXYYNXKDWGT-YWVKMMECSA-N 1 2 239.319 1.389 20 0 BDADLO CCCSCC(=O)NCCc1cn(C)c[nH+]1 ZINC001460735159 985889243 /nfs/dbraw/zinc/88/92/43/985889243.db2.gz MCFIHKVNMZPIKF-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO Nc1ncc(Nc2cccc3[nH+]ccn32)cn1 ZINC001212958597 985949282 /nfs/dbraw/zinc/94/92/82/985949282.db2.gz QGQAMJSZMBHROW-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO CCc1ncc(C[NH2+][C@H](C)c2ccn(C)n2)cn1 ZINC001461567133 986084261 /nfs/dbraw/zinc/08/42/61/986084261.db2.gz YANAPDCKDSZPHK-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO C[C@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c2nccn21 ZINC001462087883 986280118 /nfs/dbraw/zinc/28/01/18/986280118.db2.gz YAKSFNFIJAJYPC-BIIVOSGPSA-N 1 2 249.236 1.402 20 0 BDADLO COc1cc(-c2ccc(N)[nH+]c2)ccc1CO ZINC001244666170 986303023 /nfs/dbraw/zinc/30/30/23/986303023.db2.gz CZEBEGGPKYVRPV-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cccnc2N)c2nccn21 ZINC001462241307 986320940 /nfs/dbraw/zinc/32/09/40/986320940.db2.gz VXMUSUUSFFOMHI-ONGXEEELSA-N 1 2 243.314 1.656 20 0 BDADLO OCc1cc(-c2nc3[nH]ccc3c[nH+]2)ccc1O ZINC001244776180 986338215 /nfs/dbraw/zinc/33/82/15/986338215.db2.gz YTJVJDVXCHSQOL-UHFFFAOYSA-N 1 2 241.250 1.774 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC001462459772 986397353 /nfs/dbraw/zinc/39/73/53/986397353.db2.gz HLHQHLDHFJWTHH-OCAPTIKFSA-N 1 2 211.696 1.525 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC001462459772 986397363 /nfs/dbraw/zinc/39/73/63/986397363.db2.gz HLHQHLDHFJWTHH-OCAPTIKFSA-N 1 2 211.696 1.525 20 0 BDADLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)CC1 ZINC001097116973 986540793 /nfs/dbraw/zinc/54/07/93/986540793.db2.gz OOEQOZNZAZLRAC-MXWKQRLJSA-N 1 2 240.322 1.478 20 0 BDADLO CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)CC1 ZINC001097116973 986540809 /nfs/dbraw/zinc/54/08/09/986540809.db2.gz OOEQOZNZAZLRAC-MXWKQRLJSA-N 1 2 240.322 1.478 20 0 BDADLO C[C@H](CC(=O)N(C)c1ccnn1C)n1cc[nH+]c1 ZINC001463506849 986549507 /nfs/dbraw/zinc/54/95/07/986549507.db2.gz DFEUSFVRWWDART-SNVBAGLBSA-N 1 2 247.302 1.231 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H]2C)c(OC)n1 ZINC001139230317 986574908 /nfs/dbraw/zinc/57/49/08/986574908.db2.gz BLXIOWTUXLOWOE-MRVPVSSYSA-N 1 2 223.276 1.088 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H]2C)c(OC)n1 ZINC001139230317 986574925 /nfs/dbraw/zinc/57/49/25/986574925.db2.gz BLXIOWTUXLOWOE-MRVPVSSYSA-N 1 2 223.276 1.088 20 0 BDADLO CC(C)(C(=O)N1CCCSC1)c1c[nH+]c[nH]1 ZINC001262643464 986576049 /nfs/dbraw/zinc/57/60/49/986576049.db2.gz RKMFAYVQWPRHBD-UHFFFAOYSA-N 1 2 239.344 1.610 20 0 BDADLO Cc1nc(N[C@@H](C)CNC(=O)C(C)C)cc[nH+]1 ZINC001097656094 986624603 /nfs/dbraw/zinc/62/46/03/986624603.db2.gz BVPBTPYQZQHYTE-VIFPVBQESA-N 1 2 236.319 1.358 20 0 BDADLO CC(C)n1ccnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001465205230 986701364 /nfs/dbraw/zinc/70/13/64/986701364.db2.gz QPUCNKFZRVCBBL-UHFFFAOYSA-N 1 2 247.302 1.160 20 0 BDADLO COC(=O)CN(C)Cc1[nH+]c2ccccn2c1C ZINC001137274071 986715888 /nfs/dbraw/zinc/71/58/88/986715888.db2.gz FIYDNAIXRZFRRR-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC001465604192 986728542 /nfs/dbraw/zinc/72/85/42/986728542.db2.gz FHIVFSJAYUMEHR-WPRPVWTQSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCOC(=O)C3)n2c1 ZINC001137310678 986747494 /nfs/dbraw/zinc/74/74/94/986747494.db2.gz LJPDATPRHKQPFK-UHFFFAOYSA-N 1 2 245.282 1.002 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137321497 986763414 /nfs/dbraw/zinc/76/34/14/986763414.db2.gz OSIUNNMFJBQRHM-UHFFFAOYSA-N 1 2 249.358 1.686 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc2c(c1)COC2 ZINC001466080143 986765808 /nfs/dbraw/zinc/76/58/08/986765808.db2.gz ZUTBKZHEUFOCAU-UHFFFAOYSA-N 1 2 243.266 1.552 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1n[nH]c3ccccc31)C2 ZINC001137344091 986810379 /nfs/dbraw/zinc/81/03/79/986810379.db2.gz VXIZZRBRHSTJPR-UHFFFAOYSA-N 1 2 243.310 1.520 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[NH+]1CC2(COC2)C1 ZINC001137343978 986810750 /nfs/dbraw/zinc/81/07/50/986810750.db2.gz PMGNQORECCAXLU-UHFFFAOYSA-N 1 2 229.283 1.395 20 0 BDADLO c1ccc2c(C[NH+]3CC4(COC4)C3)n[nH]c2c1 ZINC001137343978 986810761 /nfs/dbraw/zinc/81/07/61/986810761.db2.gz PMGNQORECCAXLU-UHFFFAOYSA-N 1 2 229.283 1.395 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137372137 986836249 /nfs/dbraw/zinc/83/62/49/986836249.db2.gz KBULZGUGGQRZIW-UHFFFAOYSA-N 1 2 237.347 1.490 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137372137 986836252 /nfs/dbraw/zinc/83/62/52/986836252.db2.gz KBULZGUGGQRZIW-UHFFFAOYSA-N 1 2 237.347 1.490 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001137372830 986838844 /nfs/dbraw/zinc/83/88/44/986838844.db2.gz HMHLHIKAUBHGTI-HBNTYKKESA-N 1 2 231.299 1.738 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001137372830 986838847 /nfs/dbraw/zinc/83/88/47/986838847.db2.gz HMHLHIKAUBHGTI-HBNTYKKESA-N 1 2 231.299 1.738 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC001467290904 986844736 /nfs/dbraw/zinc/84/47/36/986844736.db2.gz LNMSVUGUMBAUFH-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(O)cc1 ZINC001137387195 986871304 /nfs/dbraw/zinc/87/13/04/986871304.db2.gz ZAVFXULBOJORED-VIFPVBQESA-N 1 2 245.282 1.933 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(O)cc1 ZINC001137387195 986871311 /nfs/dbraw/zinc/87/13/11/986871311.db2.gz ZAVFXULBOJORED-VIFPVBQESA-N 1 2 245.282 1.933 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccnc2Cl)CC[C@@H]1F ZINC001137420928 986890912 /nfs/dbraw/zinc/89/09/12/986890912.db2.gz CQNXRWPNFFQJHO-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@@H]1F ZINC001137420928 986890913 /nfs/dbraw/zinc/89/09/13/986890913.db2.gz CQNXRWPNFFQJHO-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+]([C@@H]2CCSC2)CCO1 ZINC001255291676 986893585 /nfs/dbraw/zinc/89/35/85/986893585.db2.gz XQTMJJQFMYCWFM-HTQZYQBOSA-N 1 2 241.278 1.755 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+]([C@@H]2CCSC2)CCO1 ZINC001255291676 986893587 /nfs/dbraw/zinc/89/35/87/986893587.db2.gz XQTMJJQFMYCWFM-HTQZYQBOSA-N 1 2 241.278 1.755 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](F)C1 ZINC001468271575 986895296 /nfs/dbraw/zinc/89/52/96/986895296.db2.gz NHRQSURXXCECOQ-VHSXEESVSA-N 1 2 237.278 1.016 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)C1 ZINC001137429070 986895600 /nfs/dbraw/zinc/89/56/00/986895600.db2.gz IZCOLOKCUPYMII-NSHDSACASA-N 1 2 245.326 1.458 20 0 BDADLO Cc1cc(-c2cc3c(cn2)ncn3C)c[nH+]c1N ZINC001245535226 986911672 /nfs/dbraw/zinc/91/16/72/986911672.db2.gz GNNBXTAABAYPRN-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cc(-c2ccc3ncnn3c2C)c[nH+]c1N ZINC001245536826 986914979 /nfs/dbraw/zinc/91/49/79/986914979.db2.gz MQGIHYCGCODNIY-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2ccc3c(c2)CNC3=O)c[nH+]c1N ZINC001245536942 986915268 /nfs/dbraw/zinc/91/52/68/986915268.db2.gz OUGWOUDMFMIHTO-UHFFFAOYSA-N 1 2 239.278 1.883 20 0 BDADLO COc1ncnc(OC)c1-c1c[nH+]c(N)c(C)c1 ZINC001245537507 986918123 /nfs/dbraw/zinc/91/81/23/986918123.db2.gz FQRYCLFRKZKAJD-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO Cc1ccc(-c2cnc(N)c(C)c2)[nH+]c1N ZINC001245538878 986923190 /nfs/dbraw/zinc/92/31/90/986923190.db2.gz QZSKKAPOJXVPME-UHFFFAOYSA-N 1 2 214.272 1.925 20 0 BDADLO Cc1cc(-c2cnc([S@](C)=O)nc2)c[nH+]c1N ZINC001245541686 986932394 /nfs/dbraw/zinc/93/23/94/986932394.db2.gz VJRYTIRDEDWQOE-KRWDZBQOSA-N 1 2 248.311 1.167 20 0 BDADLO C[C@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)[C@H]1C ZINC001470444999 987049357 /nfs/dbraw/zinc/04/93/57/987049357.db2.gz GPIGCBOAMBXVFA-UWVGGRQHSA-N 1 2 236.319 1.012 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C\[C@@H]2CCOC2)c[nH+]1 ZINC001472020055 987163504 /nfs/dbraw/zinc/16/35/04/987163504.db2.gz ARLWHVKXOUASDU-UMBAGQNISA-N 1 2 249.314 1.181 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C[C@@H]2CCOC2)[nH+]1 ZINC001472020055 987163515 /nfs/dbraw/zinc/16/35/15/987163515.db2.gz ARLWHVKXOUASDU-UMBAGQNISA-N 1 2 249.314 1.181 20 0 BDADLO [NH3+]Cc1cc(=O)n(CC2CCCCC2)[nH]1 ZINC001245922896 987165405 /nfs/dbraw/zinc/16/54/05/987165405.db2.gz GLWVVKSYPARPQF-UHFFFAOYSA-N 1 2 209.293 1.628 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2CCCO2)[nH+]1 ZINC001472093441 987174762 /nfs/dbraw/zinc/17/47/62/987174762.db2.gz YKRXFEZFCWAMNC-JTQLQIEISA-N 1 2 237.303 1.328 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2CCCO2)c[nH+]1 ZINC001472093441 987174780 /nfs/dbraw/zinc/17/47/80/987174780.db2.gz YKRXFEZFCWAMNC-JTQLQIEISA-N 1 2 237.303 1.328 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000695296480 987334393 /nfs/dbraw/zinc/33/43/93/987334393.db2.gz XKZYMRJEOUOOFH-SBKJXLNCSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000695296480 987334397 /nfs/dbraw/zinc/33/43/97/987334397.db2.gz XKZYMRJEOUOOFH-SBKJXLNCSA-N 1 2 239.315 1.217 20 0 BDADLO CC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115619472 987397368 /nfs/dbraw/zinc/39/73/68/987397368.db2.gz QJLBGXHTSCOJBC-QMMMGPOBSA-N 1 2 222.292 1.064 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](COC)OC)c1noc(C)n1 ZINC001473367750 987404912 /nfs/dbraw/zinc/40/49/12/987404912.db2.gz BHVLYTHNXUFJSB-UWVGGRQHSA-N 1 2 243.307 1.080 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](CC(=O)OC(C)C)C1 ZINC001116262212 987498038 /nfs/dbraw/zinc/49/80/38/987498038.db2.gz QNYLBZDMQZEODW-LBPRGKRZSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)OC(C)C)C1 ZINC001116262212 987498049 /nfs/dbraw/zinc/49/80/49/987498049.db2.gz QNYLBZDMQZEODW-LBPRGKRZSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001116321737 987516817 /nfs/dbraw/zinc/51/68/17/987516817.db2.gz MFPAKWMBDRVBSO-QMMMGPOBSA-N 1 2 219.248 1.114 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccco1)CC(C)C ZINC001116445976 987581799 /nfs/dbraw/zinc/58/17/99/987581799.db2.gz FJJSFJPZGOTFDM-UHFFFAOYSA-N 1 2 225.288 1.911 20 0 BDADLO COC(=O)C[N@H+](Cc1ccco1)CC(C)C ZINC001116445976 987581810 /nfs/dbraw/zinc/58/18/10/987581810.db2.gz FJJSFJPZGOTFDM-UHFFFAOYSA-N 1 2 225.288 1.911 20 0 BDADLO COC/C(C)=C/C[N@H+](C)Cc1ccn(C)n1 ZINC001473876920 987600224 /nfs/dbraw/zinc/60/02/24/987600224.db2.gz IKTYVXNPAFLBHH-VZUCSPMQSA-N 1 2 223.320 1.445 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)Cc1ccn(C)n1 ZINC001473876920 987600234 /nfs/dbraw/zinc/60/02/34/987600234.db2.gz IKTYVXNPAFLBHH-VZUCSPMQSA-N 1 2 223.320 1.445 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CN1 ZINC001246217928 987616224 /nfs/dbraw/zinc/61/62/24/987616224.db2.gz NLQOQHHKYHBQKL-XWLWVQCSSA-N 1 2 200.301 1.465 20 0 BDADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1nncn1C ZINC001473880105 987602535 /nfs/dbraw/zinc/60/25/35/987602535.db2.gz RJTOUDOLHLFRAM-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1c[nH]nc1C ZINC001116505774 987607042 /nfs/dbraw/zinc/60/70/42/987607042.db2.gz RSBCHFZLOCUAFR-MRVPVSSYSA-N 1 2 234.307 1.180 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)(C)CC1 ZINC001546199032 987613602 /nfs/dbraw/zinc/61/36/02/987613602.db2.gz KUMHMOQIUYPBKR-UHFFFAOYSA-N 1 2 235.331 1.909 20 0 BDADLO CCCn1c[nH+]cc1CNc1ncccc1CO ZINC001474237664 987665530 /nfs/dbraw/zinc/66/55/30/987665530.db2.gz WYOMKHDEROUJBF-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO CCn1cncc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC001474360801 987699110 /nfs/dbraw/zinc/69/91/10/987699110.db2.gz FTRAZSGYAPDMSG-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1cncc1C[N@H+]1CCc2c[nH]nc2C1 ZINC001474360801 987699113 /nfs/dbraw/zinc/69/91/13/987699113.db2.gz FTRAZSGYAPDMSG-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO COc1cccnc1C[NH2+]Cc1cn(C)nc1C ZINC001474581227 987769535 /nfs/dbraw/zinc/76/95/35/987769535.db2.gz KRTHUNAEIUDRNC-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO c1nc2cnccn2c1C[N@@H+]1CC[C@]12CCOC2 ZINC001474585964 987772397 /nfs/dbraw/zinc/77/23/97/987772397.db2.gz IDYVRSPCXDZSOK-CYBMUJFWSA-N 1 2 244.298 1.094 20 0 BDADLO c1nc2cnccn2c1C[N@H+]1CC[C@]12CCOC2 ZINC001474585964 987772403 /nfs/dbraw/zinc/77/24/03/987772403.db2.gz IDYVRSPCXDZSOK-CYBMUJFWSA-N 1 2 244.298 1.094 20 0 BDADLO CCCn1c[nH+]cc1CN1CCO[C@H](OC)C1 ZINC001474690076 987802419 /nfs/dbraw/zinc/80/24/19/987802419.db2.gz LQTCDZNAHBYTDE-LBPRGKRZSA-N 1 2 239.319 1.098 20 0 BDADLO Cc1cc(C[N@H+](C)CCCn2ccnc2C)[nH]n1 ZINC001117594289 987847466 /nfs/dbraw/zinc/84/74/66/987847466.db2.gz DJBAPGNZEKHZFI-UHFFFAOYSA-N 1 2 247.346 1.745 20 0 BDADLO Cc1cc(C[N@@H+](C)CCCn2ccnc2C)[nH]n1 ZINC001117594289 987847476 /nfs/dbraw/zinc/84/74/76/987847476.db2.gz DJBAPGNZEKHZFI-UHFFFAOYSA-N 1 2 247.346 1.745 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@H]1C=CCCC1 ZINC001478169118 987871076 /nfs/dbraw/zinc/87/10/76/987871076.db2.gz NEDOWQFPXQOGJU-NSHDSACASA-N 1 2 246.314 1.572 20 0 BDADLO C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC001478785062 987886621 /nfs/dbraw/zinc/88/66/21/987886621.db2.gz YAFGIUAQYQKFMQ-VIFPVBQESA-N 1 2 236.319 1.060 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCc2cccc(C)n2)no1 ZINC001118198662 988094703 /nfs/dbraw/zinc/09/47/03/988094703.db2.gz YMUCUXJXNWEWII-JTQLQIEISA-N 1 2 246.314 1.975 20 0 BDADLO CCC1(C(=O)NC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001494446529 988140605 /nfs/dbraw/zinc/14/06/05/988140605.db2.gz RIWNRMAIBDUWBK-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[C@@H](F)C(=O)NC1C[NH+](CC[C@@H](C)F)C1 ZINC001494432276 988144261 /nfs/dbraw/zinc/14/42/61/988144261.db2.gz RAMMIWOMUMJNSR-MWLCHTKSSA-N 1 2 248.317 1.529 20 0 BDADLO CCC[C@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001494533614 988154202 /nfs/dbraw/zinc/15/42/02/988154202.db2.gz FIHFIPHNWHNORI-JTQLQIEISA-N 1 2 230.327 1.440 20 0 BDADLO CSCCCCc1nnc(C[NH+](C)C)o1 ZINC001322401000 988251531 /nfs/dbraw/zinc/25/15/31/988251531.db2.gz ZWJMFYURHDOMDP-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO C[C@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001322643031 988350933 /nfs/dbraw/zinc/35/09/33/988350933.db2.gz YMVQKQLWTDBCNO-AXFHLTTASA-N 1 2 237.303 1.080 20 0 BDADLO COC[C@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 ZINC001118557240 988432513 /nfs/dbraw/zinc/43/25/13/988432513.db2.gz DKZLMWVAZKCTKN-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001118557240 988432522 /nfs/dbraw/zinc/43/25/22/988432522.db2.gz DKZLMWVAZKCTKN-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO CC(=O)N[C@@H](C)C[N@H+](C)Cc1ncc(C)s1 ZINC001498205357 988468877 /nfs/dbraw/zinc/46/88/77/988468877.db2.gz DRXSBOVFGYVHFC-QMMMGPOBSA-N 1 2 241.360 1.408 20 0 BDADLO CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ncc(C)s1 ZINC001498205357 988468885 /nfs/dbraw/zinc/46/88/85/988468885.db2.gz DRXSBOVFGYVHFC-QMMMGPOBSA-N 1 2 241.360 1.408 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001118660777 988490187 /nfs/dbraw/zinc/49/01/87/988490187.db2.gz HJOJEJADDJAKDE-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001118660777 988490197 /nfs/dbraw/zinc/49/01/97/988490197.db2.gz HJOJEJADDJAKDE-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CON(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001118674483 988493242 /nfs/dbraw/zinc/49/32/42/988493242.db2.gz KJMQWIAINXCCDE-VIFPVBQESA-N 1 2 225.292 1.387 20 0 BDADLO CON(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001118674483 988493249 /nfs/dbraw/zinc/49/32/49/988493249.db2.gz KJMQWIAINXCCDE-VIFPVBQESA-N 1 2 225.292 1.387 20 0 BDADLO CCCCCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001498920754 988517494 /nfs/dbraw/zinc/51/74/94/988517494.db2.gz OJQYILUIIZEAMX-LLVKDONJSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001498920754 988517502 /nfs/dbraw/zinc/51/75/02/988517502.db2.gz OJQYILUIIZEAMX-LLVKDONJSA-N 1 2 230.327 1.727 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)n[nH]1 ZINC001118756552 988555979 /nfs/dbraw/zinc/55/59/79/988555979.db2.gz GIIFAGMLHZASDA-GXSJLCMTSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)n[nH]1 ZINC001118756552 988555988 /nfs/dbraw/zinc/55/59/88/988555988.db2.gz GIIFAGMLHZASDA-GXSJLCMTSA-N 1 2 223.320 1.168 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001323631408 988571167 /nfs/dbraw/zinc/57/11/67/988571167.db2.gz MENAETAGHUNLOB-MXWKQRLJSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(F)F ZINC001548717618 988651908 /nfs/dbraw/zinc/65/19/08/988651908.db2.gz KOGXEWYNUGTBDA-JGVFFNPUSA-N 1 2 243.257 1.215 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@]2(C)C=CCC2)c[nH+]1 ZINC001597256919 988666229 /nfs/dbraw/zinc/66/62/29/988666229.db2.gz AAEHOCUMQYFFJM-CYBMUJFWSA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@]2(C)C=CCC2)[nH+]1 ZINC001597256919 988666236 /nfs/dbraw/zinc/66/62/36/988666236.db2.gz AAEHOCUMQYFFJM-CYBMUJFWSA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@]2(C)C=CCC2)c[nH+]1 ZINC001597256920 988669108 /nfs/dbraw/zinc/66/91/08/988669108.db2.gz AAEHOCUMQYFFJM-ZDUSSCGKSA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@]2(C)C=CCC2)[nH+]1 ZINC001597256920 988669115 /nfs/dbraw/zinc/66/91/15/988669115.db2.gz AAEHOCUMQYFFJM-ZDUSSCGKSA-N 1 2 233.315 1.945 20 0 BDADLO Cn1cncc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC001118928159 988711104 /nfs/dbraw/zinc/71/11/04/988711104.db2.gz XGDGNYIPGTYCHU-LLVKDONJSA-N 1 2 231.303 1.241 20 0 BDADLO Cc1nocc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001119044632 988810932 /nfs/dbraw/zinc/81/09/32/988810932.db2.gz OAILNKMDEALMOO-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1nocc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001119044632 988810939 /nfs/dbraw/zinc/81/09/39/988810939.db2.gz OAILNKMDEALMOO-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cnoc1C1CC1 ZINC001119048483 988814623 /nfs/dbraw/zinc/81/46/23/988814623.db2.gz HJHFVHGQHREBHE-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1)c1cc(CO)on1 ZINC001324399537 988828958 /nfs/dbraw/zinc/82/89/58/988828958.db2.gz LAWXACPPNZUSHU-SECBINFHSA-N 1 2 233.271 1.413 20 0 BDADLO Cc1cc(N2CCOCC2)cc2[nH+]c(CO)[nH]c21 ZINC001247014316 988840092 /nfs/dbraw/zinc/84/00/92/988840092.db2.gz JHPJZBFLPRVUNT-UHFFFAOYSA-N 1 2 247.298 1.200 20 0 BDADLO Cc1cccnc1-c1noc(Cc2c[nH]c[nH+]2)n1 ZINC001247138727 988851861 /nfs/dbraw/zinc/85/18/61/988851861.db2.gz YSHANVJBPRWXRR-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C)ncn2)on1 ZINC001119293515 988891172 /nfs/dbraw/zinc/89/11/72/988891172.db2.gz VNJGXKMSKHHPEQ-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO Cc1cc(C[NH+]2CCC([C@H](C)O)CC2)n[nH]1 ZINC001119303735 988918399 /nfs/dbraw/zinc/91/83/99/988918399.db2.gz IPIYWLVCKBGUFR-JTQLQIEISA-N 1 2 223.320 1.311 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001119307858 988923257 /nfs/dbraw/zinc/92/32/57/988923257.db2.gz DJABZAZSDBPDFG-FRRDWIJNSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001119307858 988923262 /nfs/dbraw/zinc/92/32/62/988923262.db2.gz DJABZAZSDBPDFG-FRRDWIJNSA-N 1 2 249.358 1.810 20 0 BDADLO C[C@H]1CC[N@H+](CN2C(=O)CC2(C)C)C[C@H]1F ZINC001324987285 989043342 /nfs/dbraw/zinc/04/33/42/989043342.db2.gz DYRNAWJOZPDSNR-VHSXEESVSA-N 1 2 228.311 1.635 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C(=O)CC2(C)C)C[C@H]1F ZINC001324987285 989043356 /nfs/dbraw/zinc/04/33/56/989043356.db2.gz DYRNAWJOZPDSNR-VHSXEESVSA-N 1 2 228.311 1.635 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C(=O)CC2(C)C)C[C@H]1F ZINC001324987283 989045851 /nfs/dbraw/zinc/04/58/51/989045851.db2.gz DYRNAWJOZPDSNR-NXEZZACHSA-N 1 2 228.311 1.635 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C(=O)CC2(C)C)C[C@H]1F ZINC001324987283 989045865 /nfs/dbraw/zinc/04/58/65/989045865.db2.gz DYRNAWJOZPDSNR-NXEZZACHSA-N 1 2 228.311 1.635 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC001247962029 989049422 /nfs/dbraw/zinc/04/94/22/989049422.db2.gz YHQCMGZQVXVJNJ-APPZFPTMSA-N 1 2 234.259 1.166 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@H](C)CO2)cc(C)[nH+]1 ZINC001119476122 989097408 /nfs/dbraw/zinc/09/74/08/989097408.db2.gz WXDYBXRMZUVGSM-ZANVPECISA-N 1 2 248.326 1.740 20 0 BDADLO Cc1[nH]c(CNc2nccnc2F)[nH+]c1C ZINC001515990197 989134877 /nfs/dbraw/zinc/13/48/77/989134877.db2.gz RLAZLAXTBHTQIL-UHFFFAOYSA-N 1 2 221.239 1.568 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001325295616 989146514 /nfs/dbraw/zinc/14/65/14/989146514.db2.gz FHMNADOZXCMHME-RHYQMDGZSA-N 1 2 235.331 1.947 20 0 BDADLO CC1(O)C[NH+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248815176 989174109 /nfs/dbraw/zinc/17/41/09/989174109.db2.gz OUPYLNPPDPPVCF-UHFFFAOYSA-N 1 2 234.274 1.874 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3n2CCC3)CCC1=O ZINC001248821344 989176194 /nfs/dbraw/zinc/17/61/94/989176194.db2.gz WRRKVIQAWZEOBB-NSHDSACASA-N 1 2 232.327 1.845 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3n2CCC3)CCC1=O ZINC001248821344 989176200 /nfs/dbraw/zinc/17/62/00/989176200.db2.gz WRRKVIQAWZEOBB-NSHDSACASA-N 1 2 232.327 1.845 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc2n1CCC2 ZINC001248821405 989179864 /nfs/dbraw/zinc/17/98/64/989179864.db2.gz YMWLHZFWEVRAOU-UHFFFAOYSA-N 1 2 235.331 1.002 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc2n1CCC2 ZINC001248821405 989179869 /nfs/dbraw/zinc/17/98/69/989179869.db2.gz YMWLHZFWEVRAOU-UHFFFAOYSA-N 1 2 235.331 1.002 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1nonc1C ZINC001248859223 989200777 /nfs/dbraw/zinc/20/07/77/989200777.db2.gz HNHPLFGQGYTOBP-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1nonc1C ZINC001248859223 989200792 /nfs/dbraw/zinc/20/07/92/989200792.db2.gz HNHPLFGQGYTOBP-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO O=C(CC1COC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001119594539 989203569 /nfs/dbraw/zinc/20/35/69/989203569.db2.gz XWXZGRSPUPRCMO-NSHDSACASA-N 1 2 249.314 1.152 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1cc(CO)on1 ZINC001119622733 989253645 /nfs/dbraw/zinc/25/36/45/989253645.db2.gz UJMDYLAXUBNOPG-NXEZZACHSA-N 1 2 247.298 1.974 20 0 BDADLO CC[C@@H](C)c1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001249407440 989277050 /nfs/dbraw/zinc/27/70/50/989277050.db2.gz IELCMGRZFWAQJR-WXHSDQCUSA-N 1 2 249.358 1.907 20 0 BDADLO CC[C@@H](C)c1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001249407440 989277060 /nfs/dbraw/zinc/27/70/60/989277060.db2.gz IELCMGRZFWAQJR-WXHSDQCUSA-N 1 2 249.358 1.907 20 0 BDADLO CC(C)(C)c1c[nH]c(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001249476151 989286866 /nfs/dbraw/zinc/28/68/66/989286866.db2.gz GMGCSSAFXSLVHA-LBPRGKRZSA-N 1 2 249.358 1.762 20 0 BDADLO CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001249476151 989286878 /nfs/dbraw/zinc/28/68/78/989286878.db2.gz GMGCSSAFXSLVHA-LBPRGKRZSA-N 1 2 249.358 1.762 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CC(=O)NCC(C)C)no1 ZINC001325873109 989292016 /nfs/dbraw/zinc/29/20/16/989292016.db2.gz LADLLCJPLTUIAR-SNVBAGLBSA-N 1 2 239.319 1.406 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CCn1cccc1 ZINC001518386080 989302538 /nfs/dbraw/zinc/30/25/38/989302538.db2.gz ZSDGUFKKMBBFLK-UHFFFAOYSA-N 1 2 243.310 1.951 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H](C)C2)ns1 ZINC001249571834 989313367 /nfs/dbraw/zinc/31/33/67/989313367.db2.gz WURDMCBTXKAGII-SECBINFHSA-N 1 2 226.345 1.920 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H](C)C2)ns1 ZINC001249571834 989313375 /nfs/dbraw/zinc/31/33/75/989313375.db2.gz WURDMCBTXKAGII-SECBINFHSA-N 1 2 226.345 1.920 20 0 BDADLO C[C@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001518511264 989316449 /nfs/dbraw/zinc/31/64/49/989316449.db2.gz JQUBERGGDQXYIA-AAEUAGOBSA-N 1 2 241.306 1.930 20 0 BDADLO C[C@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001518511264 989316458 /nfs/dbraw/zinc/31/64/58/989316458.db2.gz JQUBERGGDQXYIA-AAEUAGOBSA-N 1 2 241.306 1.930 20 0 BDADLO CCn1cc(C[N@@H+]2CC(C)(C)C2(C)C)nn1 ZINC001119662803 989317359 /nfs/dbraw/zinc/31/73/59/989317359.db2.gz RRYMEEFKZWISDD-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CCn1cc(C[N@H+]2CC(C)(C)C2(C)C)nn1 ZINC001119662803 989317362 /nfs/dbraw/zinc/31/73/62/989317362.db2.gz RRYMEEFKZWISDD-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)s1 ZINC001119685381 989333588 /nfs/dbraw/zinc/33/35/88/989333588.db2.gz OGMAFCIIIVCLSX-NXEZZACHSA-N 1 2 239.344 1.539 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)s1 ZINC001119685381 989333599 /nfs/dbraw/zinc/33/35/99/989333599.db2.gz OGMAFCIIIVCLSX-NXEZZACHSA-N 1 2 239.344 1.539 20 0 BDADLO CN(Cc1ccco1)C(=O)CCc1[nH+]ccn1C ZINC001518774351 989339267 /nfs/dbraw/zinc/33/92/67/989339267.db2.gz OYJOABYKMMOVCR-UHFFFAOYSA-N 1 2 247.298 1.604 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC001119889059 989459551 /nfs/dbraw/zinc/45/95/51/989459551.db2.gz QZPRNQVTQWKMMQ-PWSUYJOCSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC001119889059 989459564 /nfs/dbraw/zinc/45/95/64/989459564.db2.gz QZPRNQVTQWKMMQ-PWSUYJOCSA-N 1 2 224.279 1.295 20 0 BDADLO CNc1cc(N[C@H](C)c2noc(C)n2)nc[nH+]1 ZINC001119948220 989501190 /nfs/dbraw/zinc/50/11/90/989501190.db2.gz KAJYOWGCHZQAJS-ZCFIWIBFSA-N 1 2 234.263 1.383 20 0 BDADLO CNc1cc(N[C@H](C)c2noc(C)n2)[nH+]cn1 ZINC001119948220 989501203 /nfs/dbraw/zinc/50/12/03/989501203.db2.gz KAJYOWGCHZQAJS-ZCFIWIBFSA-N 1 2 234.263 1.383 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n[nH]2)[C@@H](C)CO1 ZINC001326476262 989571950 /nfs/dbraw/zinc/57/19/50/989571950.db2.gz SWKOOWLNLBWSEZ-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n[nH]2)[C@@H](C)CO1 ZINC001326476262 989571959 /nfs/dbraw/zinc/57/19/59/989571959.db2.gz SWKOOWLNLBWSEZ-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n[nH]2)[C@H](C)CO1 ZINC001326476268 989572015 /nfs/dbraw/zinc/57/20/15/989572015.db2.gz SWKOOWLNLBWSEZ-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n[nH]2)[C@H](C)CO1 ZINC001326476268 989572024 /nfs/dbraw/zinc/57/20/24/989572024.db2.gz SWKOOWLNLBWSEZ-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nc(NCC[C@@H](O)C2CC2)cc[nH+]1 ZINC001120070646 989588192 /nfs/dbraw/zinc/58/81/92/989588192.db2.gz KBBBWUDMJUGEJM-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC(F)F ZINC001520932740 989621501 /nfs/dbraw/zinc/62/15/01/989621501.db2.gz BGKDQZWEQHJVMC-UHFFFAOYSA-N 1 2 217.219 1.032 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCC(C)C ZINC001326610662 989627569 /nfs/dbraw/zinc/62/75/69/989627569.db2.gz FIHSCWDPKBJNND-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CCC(C)C ZINC001326610662 989627575 /nfs/dbraw/zinc/62/75/75/989627575.db2.gz FIHSCWDPKBJNND-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ncon2)cc1 ZINC001120509047 989685954 /nfs/dbraw/zinc/68/59/54/989685954.db2.gz ULFXMIOAPARMKX-JQWIXIFHSA-N 1 2 247.298 1.762 20 0 BDADLO CC[S@@](=O)CCNc1nc(C)[nH+]cc1C ZINC001326876294 989756125 /nfs/dbraw/zinc/75/61/25/989756125.db2.gz AUHBOZZSNPIATM-OAHLLOKOSA-N 1 2 227.333 1.274 20 0 BDADLO C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ncon1 ZINC001120609462 989780983 /nfs/dbraw/zinc/78/09/83/989780983.db2.gz CLWKHSYBXFJYPF-JQWIXIFHSA-N 1 2 247.298 1.324 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C1(C)CC1 ZINC001120728678 989851788 /nfs/dbraw/zinc/85/17/88/989851788.db2.gz ZRSZGFWRXVYDPN-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H]1CCC(F)(F)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001120742083 989861367 /nfs/dbraw/zinc/86/13/67/989861367.db2.gz MZWSDNQMLMWVIP-QMMMGPOBSA-N 1 2 243.257 1.598 20 0 BDADLO CN(CC(=O)C(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001120773748 989875957 /nfs/dbraw/zinc/87/59/57/989875957.db2.gz YKYXOYFEWGIGTO-UHFFFAOYSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1cccnc1[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC001120889791 989949012 /nfs/dbraw/zinc/94/90/12/989949012.db2.gz UVBXMEDFGQNCSA-QMMMGPOBSA-N 1 2 244.302 1.639 20 0 BDADLO Cc1cccnc1[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC001120889791 989949021 /nfs/dbraw/zinc/94/90/21/989949021.db2.gz UVBXMEDFGQNCSA-QMMMGPOBSA-N 1 2 244.302 1.639 20 0 BDADLO Cc1cc(F)cc(N2CC(=O)N(C)[C@H](C)C2)[nH+]1 ZINC001120933588 989974372 /nfs/dbraw/zinc/97/43/72/989974372.db2.gz UZXQZXOXLLBOTC-SECBINFHSA-N 1 2 237.278 1.196 20 0 BDADLO Nc1cc(N2CC[C@H]([C@@H]3CCCO3)C2)[nH+]cn1 ZINC001120959314 989989649 /nfs/dbraw/zinc/98/96/49/989989649.db2.gz IBJBXHVLACYQFS-UWVGGRQHSA-N 1 2 234.303 1.064 20 0 BDADLO Nc1cc(N2CC[C@@H]([C@H]3CCCO3)C2)[nH+]cn1 ZINC001120959313 989990208 /nfs/dbraw/zinc/99/02/08/989990208.db2.gz IBJBXHVLACYQFS-NXEZZACHSA-N 1 2 234.303 1.064 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@H]1F ZINC001527706518 990237948 /nfs/dbraw/zinc/23/79/48/990237948.db2.gz IYEQKOINCIFUHW-VHSXEESVSA-N 1 2 225.267 1.138 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1(F)F ZINC001528610619 990301440 /nfs/dbraw/zinc/30/14/40/990301440.db2.gz HHBAFLDAOXXTRW-FJXKBIBVSA-N 1 2 241.241 1.345 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCCC1(C)C ZINC001528929401 990322441 /nfs/dbraw/zinc/32/24/41/990322441.db2.gz QSLLBFHMZMJZGF-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C2CC2)CCC1 ZINC001528969398 990323570 /nfs/dbraw/zinc/32/35/70/990323570.db2.gz LFNRWQKZCXWVBH-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)c1cncs1 ZINC001122294079 990325330 /nfs/dbraw/zinc/32/53/30/990325330.db2.gz PTMRSSIUHKXQDM-RITPCOANSA-N 1 2 249.286 1.303 20 0 BDADLO Cc1cc(CNC(=O)c2cnccn2)cc(C)[nH+]1 ZINC001529386427 990348248 /nfs/dbraw/zinc/34/82/48/990348248.db2.gz ZUQSRDBILPAXAV-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO Cc1cc(COC(=O)CCCn2cc[nH+]c2)no1 ZINC001529424215 990349958 /nfs/dbraw/zinc/34/99/58/990349958.db2.gz YINPUHQEJGEWEQ-UHFFFAOYSA-N 1 2 249.270 1.703 20 0 BDADLO CC(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001122367181 990356813 /nfs/dbraw/zinc/35/68/13/990356813.db2.gz MKZMFQSZTONEKJ-UHFFFAOYSA-N 1 2 239.319 1.198 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)CC(C)C)o1 ZINC001122787349 990448339 /nfs/dbraw/zinc/44/83/39/990448339.db2.gz QPFKGPVMVJGBGI-UHFFFAOYSA-N 1 2 239.319 1.235 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCC(C)(F)F)c1 ZINC001535316925 990467822 /nfs/dbraw/zinc/46/78/22/990467822.db2.gz LYXMYFWGWLJMOA-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO Cc1conc1C(=O)OCCCc1c[nH+]cn1C ZINC001122973923 990478564 /nfs/dbraw/zinc/47/85/64/990478564.db2.gz NBAAZZQDGFWQNY-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1nccnc1C ZINC001537609764 990508219 /nfs/dbraw/zinc/50/82/19/990508219.db2.gz ONQJJWADXZIOSA-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO CCn1c[nH+]cc1COC(=O)/C=C\COC ZINC001123473555 990588871 /nfs/dbraw/zinc/58/88/71/990588871.db2.gz UAJZOSJPRDUCNY-PLNGDYQASA-N 1 2 224.260 1.149 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1nccs1 ZINC001123521143 990602311 /nfs/dbraw/zinc/60/23/11/990602311.db2.gz KVMATQBEMIMUFY-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO CCC[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001543847005 990703954 /nfs/dbraw/zinc/70/39/54/990703954.db2.gz RWODXQNTTJRYHI-VIFPVBQESA-N 1 2 223.320 1.908 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@]1(C)CC1(F)F ZINC001124020567 990735581 /nfs/dbraw/zinc/73/55/81/990735581.db2.gz PZDSRXDUEXIJLK-JTQLQIEISA-N 1 2 243.257 1.124 20 0 BDADLO CCO/C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001545361896 990750732 /nfs/dbraw/zinc/75/07/32/990750732.db2.gz CODNGTMVZNGXHY-WAYWQWQTSA-N 1 2 223.276 1.193 20 0 BDADLO CCOC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001545361896 990750737 /nfs/dbraw/zinc/75/07/37/990750737.db2.gz CODNGTMVZNGXHY-WAYWQWQTSA-N 1 2 223.276 1.193 20 0 BDADLO Cc1cc(CNC(=O)CCc2c[nH]c[nH+]2)ccn1 ZINC001556692456 990844893 /nfs/dbraw/zinc/84/48/93/990844893.db2.gz NISCSYSSAXXHRV-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C[N@H+](Cc1ccc(F)nc1)C1(C)COC1 ZINC001137741511 990846970 /nfs/dbraw/zinc/84/69/70/990846970.db2.gz FPCRADUMIFUOMJ-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO C[N@@H+](Cc1ccc(F)nc1)C1(C)COC1 ZINC001137741511 990846974 /nfs/dbraw/zinc/84/69/74/990846974.db2.gz FPCRADUMIFUOMJ-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO Fc1ccc(C[N@@H+]2CC[C@]23CCOC3)cn1 ZINC001137742690 990847513 /nfs/dbraw/zinc/84/75/13/990847513.db2.gz DXTIONBKGSYRNG-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ccc(C[N@H+]2CC[C@]23CCOC3)cn1 ZINC001137742690 990847517 /nfs/dbraw/zinc/84/75/17/990847517.db2.gz DXTIONBKGSYRNG-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO CC(=O)Oc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC001138037430 990878291 /nfs/dbraw/zinc/87/82/91/990878291.db2.gz WODYESCILBFHGN-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO CC(=O)Oc1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC001138037430 990878289 /nfs/dbraw/zinc/87/82/89/990878289.db2.gz WODYESCILBFHGN-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO C[N@H+](Cc1c[nH]nc1-c1cccs1)C1COC1 ZINC001138156256 990888403 /nfs/dbraw/zinc/88/84/03/990888403.db2.gz IVPSKSAAAIXAQD-UHFFFAOYSA-N 1 2 249.339 1.969 20 0 BDADLO C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1COC1 ZINC001138156256 990888405 /nfs/dbraw/zinc/88/84/05/990888405.db2.gz IVPSKSAAAIXAQD-UHFFFAOYSA-N 1 2 249.339 1.969 20 0 BDADLO CON(C(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001138146431 990889398 /nfs/dbraw/zinc/88/93/98/990889398.db2.gz NRVGZOQGEYEULG-UHFFFAOYSA-N 1 2 237.303 1.593 20 0 BDADLO Oc1cc(O)cc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC001138324643 990918459 /nfs/dbraw/zinc/91/84/59/990918459.db2.gz UBORMOLXTFPNMH-VIFPVBQESA-N 1 2 211.236 1.642 20 0 BDADLO Oc1cc(O)cc(C[N@H+]2CC[C@H](F)C2)c1 ZINC001138324643 990918464 /nfs/dbraw/zinc/91/84/64/990918464.db2.gz UBORMOLXTFPNMH-VIFPVBQESA-N 1 2 211.236 1.642 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H](C)SC)c[nH+]1 ZINC001558497193 990948420 /nfs/dbraw/zinc/94/84/20/990948420.db2.gz DWKCPOMVZYVEHO-SSDOTTSWSA-N 1 2 227.333 1.340 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H](C)SC)[nH+]1 ZINC001558497193 990948427 /nfs/dbraw/zinc/94/84/27/990948427.db2.gz DWKCPOMVZYVEHO-SSDOTTSWSA-N 1 2 227.333 1.340 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nnnn2C)cc(C)n1 ZINC001308542043 991026375 /nfs/dbraw/zinc/02/63/75/991026375.db2.gz CEIFBYOKPAGCOD-SNVBAGLBSA-N 1 2 246.318 1.073 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cccc3ccnn32)C1 ZINC001138804773 991066360 /nfs/dbraw/zinc/06/63/60/991066360.db2.gz WCRIQQROKFSGJG-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cccc3ccnn32)C1 ZINC001138804773 991066369 /nfs/dbraw/zinc/06/63/69/991066369.db2.gz WCRIQQROKFSGJG-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138891211 991093045 /nfs/dbraw/zinc/09/30/45/991093045.db2.gz PWAVXRJBRHPBIB-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138891211 991093052 /nfs/dbraw/zinc/09/30/52/991093052.db2.gz PWAVXRJBRHPBIB-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001138939984 991108792 /nfs/dbraw/zinc/10/87/92/991108792.db2.gz YWQUOWPLDWNWRB-LLVKDONJSA-N 1 2 221.304 1.519 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001138939984 991108798 /nfs/dbraw/zinc/10/87/98/991108798.db2.gz YWQUOWPLDWNWRB-LLVKDONJSA-N 1 2 221.304 1.519 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC001308741072 991117087 /nfs/dbraw/zinc/11/70/87/991117087.db2.gz RTDGIFVONBFOOD-GXSJLCMTSA-N 1 2 215.293 1.097 20 0 BDADLO CCCn1cc(C[NH+]2CC3(COC3)C2)cn1 ZINC001139037540 991126433 /nfs/dbraw/zinc/12/64/33/991126433.db2.gz PDEOBLKHBFMNCR-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC001139138082 991153864 /nfs/dbraw/zinc/15/38/64/991153864.db2.gz KYCHQXIZFRTQII-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC001139138082 991153880 /nfs/dbraw/zinc/15/38/80/991153880.db2.gz KYCHQXIZFRTQII-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO COc1ncc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(OC)n1 ZINC001139236927 991208282 /nfs/dbraw/zinc/20/82/82/991208282.db2.gz ISEWTOUVCHHCJS-KOLCDFICSA-N 1 2 249.314 1.478 20 0 BDADLO COc1ncc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(OC)n1 ZINC001139236927 991208295 /nfs/dbraw/zinc/20/82/95/991208295.db2.gz ISEWTOUVCHHCJS-KOLCDFICSA-N 1 2 249.314 1.478 20 0 BDADLO COC(=O)C[NH2+][C@@H](C)CC(C)(C)SC ZINC001258322480 991248798 /nfs/dbraw/zinc/24/87/98/991248798.db2.gz ZUBLRPJWSMAGAB-QMMMGPOBSA-N 1 2 219.350 1.669 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(Cl)ccn2)CC[C@H]1F ZINC001139559729 991266567 /nfs/dbraw/zinc/26/65/67/991266567.db2.gz OFTIAYDWHRJGLN-GHMZBOCLSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(Cl)ccn2)CC[C@H]1F ZINC001139559729 991266577 /nfs/dbraw/zinc/26/65/77/991266577.db2.gz OFTIAYDWHRJGLN-GHMZBOCLSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1conc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC001310463536 991301877 /nfs/dbraw/zinc/30/18/77/991301877.db2.gz ZYYKVRPABCRKLC-UHFFFAOYSA-N 1 2 249.274 1.081 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CCNC(=O)[C@H]1C ZINC001139713492 991337509 /nfs/dbraw/zinc/33/75/09/991337509.db2.gz GZIWMLHQICFKSS-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CCNC(=O)[C@H]1C ZINC001139713492 991337518 /nfs/dbraw/zinc/33/75/18/991337518.db2.gz GZIWMLHQICFKSS-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO CNc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cn1 ZINC001341687137 991372976 /nfs/dbraw/zinc/37/29/76/991372976.db2.gz QLIFZKCKXHCEBT-ZETCQYMHSA-N 1 2 244.245 1.044 20 0 BDADLO CCCCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258438165 991375179 /nfs/dbraw/zinc/37/51/79/991375179.db2.gz MOZNSAOUIZJEPL-IJLUTSLNSA-N 1 2 245.363 1.857 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(COC)s1 ZINC001139823731 991380341 /nfs/dbraw/zinc/38/03/41/991380341.db2.gz FIMYUEMTGMFXRG-UHFFFAOYSA-N 1 2 242.344 1.072 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(COC)s1 ZINC001139823731 991380351 /nfs/dbraw/zinc/38/03/51/991380351.db2.gz FIMYUEMTGMFXRG-UHFFFAOYSA-N 1 2 242.344 1.072 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1ncccn1)OC ZINC001560102427 991382982 /nfs/dbraw/zinc/38/29/82/991382982.db2.gz OAURPLDMRPDJHC-SNVBAGLBSA-N 1 2 209.293 1.333 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1ncccn1)OC ZINC001560102427 991382993 /nfs/dbraw/zinc/38/29/93/991382993.db2.gz OAURPLDMRPDJHC-SNVBAGLBSA-N 1 2 209.293 1.333 20 0 BDADLO Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cn1 ZINC001139932837 991421942 /nfs/dbraw/zinc/42/19/42/991421942.db2.gz SFGGYDSQICIYJZ-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cn1 ZINC001139932837 991421943 /nfs/dbraw/zinc/42/19/43/991421943.db2.gz SFGGYDSQICIYJZ-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c(cnn3C)c2)C1 ZINC001139948735 991426146 /nfs/dbraw/zinc/42/61/46/991426146.db2.gz MQLKYDRSCQHZLS-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO COC(=O)[C@@]1(C)COCC[N@@H+]1[C@H](C)CC1CC1 ZINC001258471286 991435762 /nfs/dbraw/zinc/43/57/62/991435762.db2.gz XWMVTKQGKZEHNB-ZWNOBZJWSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@]1(C)COCC[N@H+]1[C@H](C)CC1CC1 ZINC001258471286 991435771 /nfs/dbraw/zinc/43/57/71/991435771.db2.gz XWMVTKQGKZEHNB-ZWNOBZJWSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001560239882 991437170 /nfs/dbraw/zinc/43/71/70/991437170.db2.gz MDYOIESGNHZHFD-CYBMUJFWSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCc2cc(O)ccc2C1 ZINC001560239882 991437176 /nfs/dbraw/zinc/43/71/76/991437176.db2.gz MDYOIESGNHZHFD-CYBMUJFWSA-N 1 2 249.310 1.702 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnnc2)CCCC1=O ZINC001139980709 991451604 /nfs/dbraw/zinc/45/16/04/991451604.db2.gz XJILHFWSXMHMEW-JTQLQIEISA-N 1 2 219.288 1.278 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnnc2)CCCC1=O ZINC001139980709 991451610 /nfs/dbraw/zinc/45/16/10/991451610.db2.gz XJILHFWSXMHMEW-JTQLQIEISA-N 1 2 219.288 1.278 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987459 991465658 /nfs/dbraw/zinc/46/56/58/991465658.db2.gz SVIARSBZRPGLIJ-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987459 991465663 /nfs/dbraw/zinc/46/56/63/991465663.db2.gz SVIARSBZRPGLIJ-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139988376 991470879 /nfs/dbraw/zinc/47/08/79/991470879.db2.gz VNCFORGRLOCFBR-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cnc(Cl)nc1 ZINC001139988376 991470884 /nfs/dbraw/zinc/47/08/84/991470884.db2.gz VNCFORGRLOCFBR-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO CCCC1CCC([NH2+][C@H](CO)C(=O)OC)CC1 ZINC001258527539 991473750 /nfs/dbraw/zinc/47/37/50/991473750.db2.gz FSQNGNNPNNTOCT-HTAVTVPLSA-N 1 2 243.347 1.469 20 0 BDADLO CCc1ncc(C[NH2+][C@@H]2CCn3ccnc32)cn1 ZINC001560481673 991483817 /nfs/dbraw/zinc/48/38/17/991483817.db2.gz QMOYRTDNWCBEIT-LLVKDONJSA-N 1 2 243.314 1.470 20 0 BDADLO CNc1nccc(C[N@@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001140039981 991493113 /nfs/dbraw/zinc/49/31/13/991493113.db2.gz MICJXQSOFRMUTL-RKDXNWHRSA-N 1 2 224.283 1.451 20 0 BDADLO CNc1nccc(C[N@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001140039981 991493118 /nfs/dbraw/zinc/49/31/18/991493118.db2.gz MICJXQSOFRMUTL-RKDXNWHRSA-N 1 2 224.283 1.451 20 0 BDADLO CC[C@@H]1C[C@H](C[NH2+]Cc2ncn[nH]2)CCO1 ZINC001560626335 991529229 /nfs/dbraw/zinc/52/92/29/991529229.db2.gz KMKRYZIIQCGYTI-NXEZZACHSA-N 1 2 224.308 1.100 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(F)c1 ZINC001140129703 991534343 /nfs/dbraw/zinc/53/43/43/991534343.db2.gz JTGWDNIDTHZWPY-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@@]23CCOC3)c(F)c1 ZINC001140129703 991534357 /nfs/dbraw/zinc/53/43/57/991534357.db2.gz JTGWDNIDTHZWPY-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO CCn1ccc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC001560692103 991556041 /nfs/dbraw/zinc/55/60/41/991556041.db2.gz QNDWYRPENLZLGL-JTQLQIEISA-N 1 2 225.361 1.840 20 0 BDADLO CCn1ccc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC001560692103 991556051 /nfs/dbraw/zinc/55/60/51/991556051.db2.gz QNDWYRPENLZLGL-JTQLQIEISA-N 1 2 225.361 1.840 20 0 BDADLO CCn1c[nH+]cc1CN1CC(OCC(C)C)C1 ZINC001560710616 991569258 /nfs/dbraw/zinc/56/92/58/991569258.db2.gz PSJUQJWQCDYLKI-UHFFFAOYSA-N 1 2 237.347 1.760 20 0 BDADLO CCOC1C[NH+](Cc2ccncc2O)C1 ZINC001140275106 991574842 /nfs/dbraw/zinc/57/48/42/991574842.db2.gz LHYDUXQVCSQBGK-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)CC(C)(C)C)C1 ZINC001317999110 991607915 /nfs/dbraw/zinc/60/79/15/991607915.db2.gz PUKKECPRQOTGMX-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NC1C[NH+](CC)C1 ZINC001318073559 991617688 /nfs/dbraw/zinc/61/76/88/991617688.db2.gz HIYYYNWDTIYPJY-ZJUUUORDSA-N 1 2 212.337 1.489 20 0 BDADLO CCN(CC(F)(F)F)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318080448 991620772 /nfs/dbraw/zinc/62/07/72/991620772.db2.gz JEMZYNVFRLHZKV-MRVPVSSYSA-N 1 2 249.236 1.855 20 0 BDADLO CCN(CC(F)(F)F)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318080449 991621265 /nfs/dbraw/zinc/62/12/65/991621265.db2.gz JEMZYNVFRLHZKV-QMMMGPOBSA-N 1 2 249.236 1.855 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140386592 991631857 /nfs/dbraw/zinc/63/18/57/991631857.db2.gz SUUFCWPEGLRWDE-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140386592 991631862 /nfs/dbraw/zinc/63/18/62/991631862.db2.gz SUUFCWPEGLRWDE-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO c1[nH]nc2ccc(C[N@@H+]3CCN4CC[C@H]4C3)cc12 ZINC001140389030 991634298 /nfs/dbraw/zinc/63/42/98/991634298.db2.gz IXKMVDCKDQJYSU-ZDUSSCGKSA-N 1 2 242.326 1.453 20 0 BDADLO c1[nH]nc2ccc(C[N@H+]3CCN4CC[C@H]4C3)cc12 ZINC001140389030 991634300 /nfs/dbraw/zinc/63/43/00/991634300.db2.gz IXKMVDCKDQJYSU-ZDUSSCGKSA-N 1 2 242.326 1.453 20 0 BDADLO Cc1ccc(Cl)nc1C[NH+]1CC(CO)C1 ZINC001140447509 991641614 /nfs/dbraw/zinc/64/16/14/991641614.db2.gz AGRXEQRRAAFOIT-UHFFFAOYSA-N 1 2 226.707 1.468 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001318278655 991643216 /nfs/dbraw/zinc/64/32/16/991643216.db2.gz JJNLKKNJGOLZEH-MXWKQRLJSA-N 1 2 221.304 1.749 20 0 BDADLO CSCCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318619306 991689463 /nfs/dbraw/zinc/68/94/63/991689463.db2.gz OWFMMHCYDJVFQD-SNVBAGLBSA-N 1 2 241.360 1.704 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CC=CCC1)n1cc[nH+]c1 ZINC001318611980 991689788 /nfs/dbraw/zinc/68/97/88/991689788.db2.gz ZRSUHIKQJZQKPB-WDEREUQCSA-N 1 2 219.288 1.669 20 0 BDADLO CC1(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001318633102 991692344 /nfs/dbraw/zinc/69/23/44/991692344.db2.gz SMNKWIDWFRVZNH-UHFFFAOYSA-N 1 2 207.277 1.332 20 0 BDADLO C[C@H](Cc1cccc(Cl)c1)[NH+]1CC(O)C1 ZINC001258745386 991694142 /nfs/dbraw/zinc/69/41/42/991694142.db2.gz MWRPBYWVCQHUCP-SECBINFHSA-N 1 2 225.719 1.948 20 0 BDADLO CC(C)c1ncc(C(=O)NCCn2cc[nH+]c2)[nH]1 ZINC001318733433 991705408 /nfs/dbraw/zinc/70/54/08/991705408.db2.gz XYHINJMVQUYMIH-UHFFFAOYSA-N 1 2 247.302 1.160 20 0 BDADLO C[C@@H](C(=O)NCc1ccc[nH]1)n1cc[nH+]c1 ZINC001318923423 991737519 /nfs/dbraw/zinc/73/75/19/991737519.db2.gz LGEYIRFFSGZILO-VIFPVBQESA-N 1 2 218.260 1.089 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC=CC1 ZINC001563092400 991747732 /nfs/dbraw/zinc/74/77/32/991747732.db2.gz KLLWDMSKZNCJPK-UHFFFAOYSA-N 1 2 228.255 1.738 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@H]1C=CCC1 ZINC001565035941 991781679 /nfs/dbraw/zinc/78/16/79/991781679.db2.gz DWNYOUJGRBLEHO-JTQLQIEISA-N 1 2 232.287 1.182 20 0 BDADLO CCOCCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC001565646748 991797487 /nfs/dbraw/zinc/79/74/87/991797487.db2.gz YXCHLXKNAIKUIX-UHFFFAOYSA-N 1 2 239.319 1.146 20 0 BDADLO C[C@H](C(=O)NC1C(C)(C)C1(C)C)n1cc[nH+]c1 ZINC001319143715 991799141 /nfs/dbraw/zinc/79/91/41/991799141.db2.gz WXCVCADIKVNMLN-SECBINFHSA-N 1 2 235.331 1.995 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cncs1 ZINC001319195055 991813214 /nfs/dbraw/zinc/81/32/14/991813214.db2.gz PMDMSPRNXRBFMN-MRVPVSSYSA-N 1 2 249.343 1.532 20 0 BDADLO COC(=O)[C@]1([NH2+][C@@H]2CCC[C@@H](C)C2)CCOC1 ZINC001258816295 991827635 /nfs/dbraw/zinc/82/76/35/991827635.db2.gz AZZDJAANKLMMKW-WZRBSPASSA-N 1 2 241.331 1.487 20 0 BDADLO CCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001566239623 991833684 /nfs/dbraw/zinc/83/36/84/991833684.db2.gz MVLSOKVSNMSWSU-UHFFFAOYSA-N 1 2 221.304 1.710 20 0 BDADLO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC1=O ZINC001258837729 991871546 /nfs/dbraw/zinc/87/15/46/991871546.db2.gz CUDMQFMVAUASGG-STQMWFEESA-N 1 2 233.311 1.913 20 0 BDADLO COc1ccccc1C[C@@H](C)[N@@H+]1CCNC(=O)C1 ZINC001258886577 991887156 /nfs/dbraw/zinc/88/71/56/991887156.db2.gz OPGFKFNGSACLEI-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1C[C@@H](C)[N@H+]1CCNC(=O)C1 ZINC001258886577 991887160 /nfs/dbraw/zinc/88/71/60/991887160.db2.gz OPGFKFNGSACLEI-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO C[C@H](C(=O)Nc1cc(F)ccc1O)n1cc[nH+]c1 ZINC001319631832 991915887 /nfs/dbraw/zinc/91/58/87/991915887.db2.gz UGVQWIQEKFTHAU-MRVPVSSYSA-N 1 2 249.245 1.928 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1cn[nH]c1 ZINC001319731365 991955666 /nfs/dbraw/zinc/95/56/66/991955666.db2.gz ODLLUJAJPDBOJN-RKDXNWHRSA-N 1 2 233.275 1.045 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319892886 992022925 /nfs/dbraw/zinc/02/29/25/992022925.db2.gz CKCNAIQOEPQQLK-JQWIXIFHSA-N 1 2 239.319 1.111 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001567872016 992109881 /nfs/dbraw/zinc/10/98/81/992109881.db2.gz ODQCKXISUKPRKT-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001567872016 992109886 /nfs/dbraw/zinc/10/98/86/992109886.db2.gz ODQCKXISUKPRKT-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO CC[C@H](SC)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001567872015 992110917 /nfs/dbraw/zinc/11/09/17/992110917.db2.gz ODQCKXISUKPRKT-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO CC[C@H](SC)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001567872015 992110925 /nfs/dbraw/zinc/11/09/25/992110925.db2.gz ODQCKXISUKPRKT-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO CC[C@@H](C)S(=O)(=O)Nc1cc[nH+]c(CO)c1 ZINC001260725278 992141077 /nfs/dbraw/zinc/14/10/77/992141077.db2.gz BTEBOHUQVZBVRG-MRVPVSSYSA-N 1 2 244.316 1.114 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320289953 992155086 /nfs/dbraw/zinc/15/50/86/992155086.db2.gz RQFNXWGKXXYJJJ-HTQZYQBOSA-N 1 2 249.236 1.901 20 0 BDADLO CC(=O)NC/C=C\C[NH2+]Cc1nc(C)c(C)o1 ZINC001568804605 992220482 /nfs/dbraw/zinc/22/04/82/992220482.db2.gz TVYPQRHQUNQEHO-PLNGDYQASA-N 1 2 237.303 1.073 20 0 BDADLO CC[N@H+](Cc1noc(CCOC)n1)C(C)(C)C ZINC001261263525 992233622 /nfs/dbraw/zinc/23/36/22/992233622.db2.gz LCHJKUAHDQNTEQ-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CC[N@@H+](Cc1noc(CCOC)n1)C(C)(C)C ZINC001261263525 992233635 /nfs/dbraw/zinc/23/36/35/992233635.db2.gz LCHJKUAHDQNTEQ-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCCOCC1)n1cc[nH+]c1 ZINC001320663660 992297314 /nfs/dbraw/zinc/29/73/14/992297314.db2.gz PNKUZBGFOLZGIS-QWRGUYRKSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@@H](C(=O)N(C)CC(F)(F)F)n1cc[nH+]c1 ZINC001320950959 992412131 /nfs/dbraw/zinc/41/21/31/992412131.db2.gz ZHCKSMCBNZTJFR-ZETCQYMHSA-N 1 2 235.209 1.465 20 0 BDADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001261637936 992428345 /nfs/dbraw/zinc/42/83/45/992428345.db2.gz KLGNKNJJVAUAOJ-NXEZZACHSA-N 1 2 240.376 1.911 20 0 BDADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001261637936 992428356 /nfs/dbraw/zinc/42/83/56/992428356.db2.gz KLGNKNJJVAUAOJ-NXEZZACHSA-N 1 2 240.376 1.911 20 0 BDADLO OC1CCC(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001261641132 992437333 /nfs/dbraw/zinc/43/73/33/992437333.db2.gz WZQIEHFRLAITKD-ILDUYXDCSA-N 1 2 249.301 1.239 20 0 BDADLO OC1CCC(C[N@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001261641132 992437343 /nfs/dbraw/zinc/43/73/43/992437343.db2.gz WZQIEHFRLAITKD-ILDUYXDCSA-N 1 2 249.301 1.239 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@H](O)CCC(C)C)no1 ZINC001321128078 992465358 /nfs/dbraw/zinc/46/53/58/992465358.db2.gz DOEQVRKPOCBHTF-GXSJLCMTSA-N 1 2 241.335 1.826 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccon1 ZINC001321191011 992479460 /nfs/dbraw/zinc/47/94/60/992479460.db2.gz XNJUOTFMSYOUDT-RXUHEVMZSA-N 1 2 249.314 1.093 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001321208362 992491496 /nfs/dbraw/zinc/49/14/96/992491496.db2.gz YIBUACUKEGJSTK-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001321208362 992491506 /nfs/dbraw/zinc/49/15/06/992491506.db2.gz YIBUACUKEGJSTK-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO CC(C)n1cc(C[NH+](C2CC2)C2CC2)nn1 ZINC001261809519 992518369 /nfs/dbraw/zinc/51/83/69/992518369.db2.gz APQDMWUDXYJIGD-UHFFFAOYSA-N 1 2 220.320 1.986 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(C)n[nH]1 ZINC001321408542 992536058 /nfs/dbraw/zinc/53/60/58/992536058.db2.gz NLOYLQRTLRWSCZ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(C)n[nH]1 ZINC001321408542 992536068 /nfs/dbraw/zinc/53/60/68/992536068.db2.gz NLOYLQRTLRWSCZ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO C[C@@H]([NH2+]Cc1cncn1C)c1ccn(C)n1 ZINC001261853341 992546583 /nfs/dbraw/zinc/54/65/83/992546583.db2.gz FFGXGYAIPMGYCW-SECBINFHSA-N 1 2 219.292 1.004 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001261877074 992553987 /nfs/dbraw/zinc/55/39/87/992553987.db2.gz XHJQZSJQTZPSQA-IXOXFDKPSA-N 1 2 245.326 1.517 20 0 BDADLO CO[C@H]1C[NH2+][C@@H](C(=O)O[C@H]2CCC[C@@H](C)C2)C1 ZINC001574000944 992786946 /nfs/dbraw/zinc/78/69/46/992786946.db2.gz QXJUNYHWNZSDJS-WRWGMCAJSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ncco1 ZINC001262202370 992796913 /nfs/dbraw/zinc/79/69/13/992796913.db2.gz SNTZNWBGWKGISU-RNFRBKRXSA-N 1 2 238.209 1.639 20 0 BDADLO C[S@@](=O)(=NC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC001574057643 992798144 /nfs/dbraw/zinc/79/81/44/992798144.db2.gz UEUPRPNAMZTIIF-INIZCTEOSA-N 1 2 244.360 1.435 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(C2CC2)no1 ZINC001262332780 992840843 /nfs/dbraw/zinc/84/08/43/992840843.db2.gz LFJMYLPXTILNRB-ZJUUUORDSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(C2CC2)no1 ZINC001262332780 992840847 /nfs/dbraw/zinc/84/08/47/992840847.db2.gz LFJMYLPXTILNRB-ZJUUUORDSA-N 1 2 237.303 1.556 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)o1 ZINC001262340469 992844297 /nfs/dbraw/zinc/84/42/97/992844297.db2.gz CRKAKUSDTVXIJU-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO O=C(O[C@H]1COc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC001574429600 992861056 /nfs/dbraw/zinc/86/10/56/992861056.db2.gz RQOUOYYBBMZJCS-AAEUAGOBSA-N 1 2 247.294 1.805 20 0 BDADLO CCc1ccc(N2CC(F)(F)C[C@H]2CO)[nH+]c1 ZINC001262692563 993032306 /nfs/dbraw/zinc/03/23/06/993032306.db2.gz NIHLWLPNSUQNEM-JTQLQIEISA-N 1 2 242.269 1.850 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1c[nH]nn1)C1CCCCC1 ZINC001575658514 993091323 /nfs/dbraw/zinc/09/13/23/993091323.db2.gz NYFXUJHIJCKKLS-SKDRFNHKSA-N 1 2 238.335 1.397 20 0 BDADLO CCOc1ccccc1[C@H]([NH3+])CC(=O)NOC ZINC001263092248 993110433 /nfs/dbraw/zinc/11/04/33/993110433.db2.gz MHBYDALVDCRMCJ-SNVBAGLBSA-N 1 2 238.287 1.153 20 0 BDADLO Cc1ncoc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263543046 993377439 /nfs/dbraw/zinc/37/74/39/993377439.db2.gz UAOXCJZNUNLOER-UHFFFAOYSA-N 1 2 249.270 1.772 20 0 BDADLO C[C@H](Cc1ccncc1)[NH2+]CC(F)(F)CO ZINC000381782965 993423080 /nfs/dbraw/zinc/42/30/80/993423080.db2.gz YENQTLWNXUEIAL-SECBINFHSA-N 1 2 230.258 1.230 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000382147812 993443535 /nfs/dbraw/zinc/44/35/35/993443535.db2.gz OMJSNDDWLSSQDA-ILWJIGKKSA-N 1 2 227.304 1.238 20 0 BDADLO CSC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001263734942 993476020 /nfs/dbraw/zinc/47/60/20/993476020.db2.gz DDMYDLPUGLYSNI-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO O=C(C1CCC1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001263967524 993634241 /nfs/dbraw/zinc/63/42/41/993634241.db2.gz RZQADLUATWETBC-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CN(C)c1ccc(Nc2ccnc(C#N)c2)c[nH+]1 ZINC000387299026 993705820 /nfs/dbraw/zinc/70/58/20/993705820.db2.gz YECJFMZNZNRFCM-UHFFFAOYSA-N 1 2 239.282 1.580 20 0 BDADLO Cc1cc(C)c(NC(=O)[C@H]2CCC(=O)O2)c(C)[nH+]1 ZINC001264803918 993763217 /nfs/dbraw/zinc/76/32/17/993763217.db2.gz IQBSXQMUAGPANG-SNVBAGLBSA-N 1 2 248.282 1.651 20 0 BDADLO [NH3+][C@@H](CC(=O)N1CCC=C(Cl)C1)C(F)F ZINC000724716358 994071708 /nfs/dbraw/zinc/07/17/08/994071708.db2.gz BGOGRJZOKUBZSQ-ZETCQYMHSA-N 1 2 238.665 1.324 20 0 BDADLO [NH3+][C@H](CC(=O)NCC1=CCCC1)C(F)F ZINC000724734219 994075409 /nfs/dbraw/zinc/07/54/09/994075409.db2.gz MYSAMQMMMXSDSY-MRVPVSSYSA-N 1 2 218.247 1.195 20 0 BDADLO Cc1[nH]cc(CN(C)CC(F)(F)F)[nH+]1 ZINC000724780970 994077107 /nfs/dbraw/zinc/07/71/07/994077107.db2.gz WYLOSFNWORZZPX-UHFFFAOYSA-N 1 2 207.199 1.712 20 0 BDADLO Cc1[nH]c(CN(C)CC(F)(F)F)c[nH+]1 ZINC000724780970 994077100 /nfs/dbraw/zinc/07/71/00/994077100.db2.gz WYLOSFNWORZZPX-UHFFFAOYSA-N 1 2 207.199 1.712 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CCC1 ZINC001280402182 994107918 /nfs/dbraw/zinc/10/79/18/994107918.db2.gz GEXILBNRNCLMMZ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)CC1CCC1 ZINC001280402182 994107943 /nfs/dbraw/zinc/10/79/43/994107943.db2.gz GEXILBNRNCLMMZ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001333814281 994531175 /nfs/dbraw/zinc/53/11/75/994531175.db2.gz HBOZQUHYUOWHRV-SECBINFHSA-N 1 2 233.275 1.125 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(COC)c1 ZINC001290649818 994549626 /nfs/dbraw/zinc/54/96/26/994549626.db2.gz XBKZVZMSSZURRI-ZDUSSCGKSA-N 1 2 248.326 1.866 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(COC)c1 ZINC001290649818 994549634 /nfs/dbraw/zinc/54/96/34/994549634.db2.gz XBKZVZMSSZURRI-ZDUSSCGKSA-N 1 2 248.326 1.866 20 0 BDADLO COC/C=C\C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001292436634 994612946 /nfs/dbraw/zinc/61/29/46/994612946.db2.gz GQCSCDAJXHWMDJ-ARJAWSKDSA-N 1 2 245.282 1.784 20 0 BDADLO CCc1cc(N2C[C@@H]3C[C@]3(CO)C2)nc(CC)[nH+]1 ZINC001334986595 994665387 /nfs/dbraw/zinc/66/53/87/994665387.db2.gz XWIXELNXDIUMHY-IINYFYTJSA-N 1 2 247.342 1.420 20 0 BDADLO Cc1nonc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001297439435 994866623 /nfs/dbraw/zinc/86/66/23/994866623.db2.gz IXPJBVIZGPBRMB-UHFFFAOYSA-N 1 2 243.226 1.278 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001337235204 995150918 /nfs/dbraw/zinc/15/09/18/995150918.db2.gz DJEOWJZNWZHGIM-NEPJUHHUSA-N 1 2 249.314 1.040 20 0 BDADLO CCc1ccc(N2CCCN(C(N)=O)CC2)[nH+]c1 ZINC001337837290 995222009 /nfs/dbraw/zinc/22/20/09/995222009.db2.gz QSKNQOIWXVKMKX-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO Cl/C=C\CN1CC[NH+](Cc2ccno2)CC1 ZINC001308036028 995528159 /nfs/dbraw/zinc/52/81/59/995528159.db2.gz MSBDALAVFFBRKU-IWQZZHSRSA-N 1 2 241.722 1.545 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccnc(OC)c2)n1 ZINC001308193329 995594127 /nfs/dbraw/zinc/59/41/27/995594127.db2.gz UAONFBJHWKGIHV-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO FC1(F)CCCN(CC[NH+]2CCOCC2)C1 ZINC000259389727 488169064 /nfs/dbraw/zinc/16/90/64/488169064.db2.gz QTZVYEYHRGRVDG-UHFFFAOYSA-N 1 2 234.290 1.050 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1cscn1 ZINC000161168048 538914915 /nfs/dbraw/zinc/91/49/15/538914915.db2.gz BURAATCKVPQGGV-SECBINFHSA-N 1 2 241.360 1.662 20 0 BDADLO CCN(C)C(=O)[C@@H]([NH2+]CC(F)F)C(C)C ZINC000649848700 398139528 /nfs/dbraw/zinc/13/95/28/398139528.db2.gz KYXCNCWLPYDZFE-VIFPVBQESA-N 1 2 222.279 1.344 20 0 BDADLO CC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC000340570793 398145587 /nfs/dbraw/zinc/14/55/87/398145587.db2.gz PNVHNUNEOXJISR-NWDGAFQWSA-N 1 2 235.331 1.609 20 0 BDADLO CCC(CC)(CO)Nc1cc(C)[nH+]cn1 ZINC000053071060 168329414 /nfs/dbraw/zinc/32/94/14/168329414.db2.gz ZOHMEZNZQNOYPQ-UHFFFAOYSA-N 1 2 209.293 1.748 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000188478954 346814954 /nfs/dbraw/zinc/81/49/54/346814954.db2.gz SMXQQAIIGCUJDB-SECBINFHSA-N 1 2 223.320 1.513 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)CCS1 ZINC000379494417 398148933 /nfs/dbraw/zinc/14/89/33/398148933.db2.gz NETWKDKGOQKUKZ-SNVBAGLBSA-N 1 2 238.356 1.906 20 0 BDADLO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)C(F)F ZINC000379546858 398152042 /nfs/dbraw/zinc/15/20/42/398152042.db2.gz XMCFCOPLONKERN-RQJHMYQMSA-N 1 2 208.252 1.096 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000649871134 398153527 /nfs/dbraw/zinc/15/35/27/398153527.db2.gz SNECFSFAGGGQFF-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000649871134 398153530 /nfs/dbraw/zinc/15/35/30/398153530.db2.gz SNECFSFAGGGQFF-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nn(C)cc1Cl ZINC000649871346 398154599 /nfs/dbraw/zinc/15/45/99/398154599.db2.gz YLODMDIBSVFHDN-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000649871346 398154602 /nfs/dbraw/zinc/15/46/02/398154602.db2.gz YLODMDIBSVFHDN-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CO[C@H](CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000415158995 398168662 /nfs/dbraw/zinc/16/86/62/398168662.db2.gz GBEMECGRZJTDPZ-GFCCVEGCSA-N 1 2 236.315 1.812 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)n1C ZINC000649903686 398174069 /nfs/dbraw/zinc/17/40/69/398174069.db2.gz TUZSKIWWJXIZLG-JTQLQIEISA-N 1 2 242.273 1.355 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n1C ZINC000649903686 398174070 /nfs/dbraw/zinc/17/40/70/398174070.db2.gz TUZSKIWWJXIZLG-JTQLQIEISA-N 1 2 242.273 1.355 20 0 BDADLO CC(C)(C)[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000277423979 398175038 /nfs/dbraw/zinc/17/50/38/398175038.db2.gz LJXPQAZAAUOARC-LURJTMIESA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)(C)[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000277423979 398175040 /nfs/dbraw/zinc/17/50/40/398175040.db2.gz LJXPQAZAAUOARC-LURJTMIESA-N 1 2 244.726 1.531 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCN(C(C)C)C2=O)no1 ZINC000356604841 178040790 /nfs/dbraw/zinc/04/07/90/178040790.db2.gz WEDIJJMOSUDFKM-NSHDSACASA-N 1 2 237.303 1.082 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)no1 ZINC000649902332 398175647 /nfs/dbraw/zinc/17/56/47/398175647.db2.gz YOUGOVWFTQMRRK-SECBINFHSA-N 1 2 229.230 1.609 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)no1 ZINC000649902332 398175651 /nfs/dbraw/zinc/17/56/51/398175651.db2.gz YOUGOVWFTQMRRK-SECBINFHSA-N 1 2 229.230 1.609 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649908670 398183534 /nfs/dbraw/zinc/18/35/34/398183534.db2.gz UHXMMIZCKGLLER-XCBNKYQSSA-N 1 2 242.273 1.905 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649908670 398183538 /nfs/dbraw/zinc/18/35/38/398183538.db2.gz UHXMMIZCKGLLER-XCBNKYQSSA-N 1 2 242.273 1.905 20 0 BDADLO Cc1nc(C[N@H+](CCO)Cc2ccccc2)co1 ZINC000379955700 398179057 /nfs/dbraw/zinc/17/90/57/398179057.db2.gz BHHVQZOEPLGUDO-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1nc(C[N@@H+](CCO)Cc2ccccc2)co1 ZINC000379955700 398179060 /nfs/dbraw/zinc/17/90/60/398179060.db2.gz BHHVQZOEPLGUDO-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO CC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000292367925 398188931 /nfs/dbraw/zinc/18/89/31/398188931.db2.gz RVPLEOWZSBXAPU-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO Cc1nc(NCc2c[nH+]c3ccccn23)n(C)n1 ZINC000162451540 538922868 /nfs/dbraw/zinc/92/28/68/538922868.db2.gz HARNSZOCQIGCOD-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000649938182 398191603 /nfs/dbraw/zinc/19/16/03/398191603.db2.gz RDMYHBLRUAVEMU-BBBLOLIVSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000649938182 398191607 /nfs/dbraw/zinc/19/16/07/398191607.db2.gz RDMYHBLRUAVEMU-BBBLOLIVSA-N 1 2 216.300 1.333 20 0 BDADLO Cc1cc(N(C)CCc2ccccn2)nc[nH+]1 ZINC000301209726 178098968 /nfs/dbraw/zinc/09/89/68/178098968.db2.gz TYHYQZGDPYMQHV-UHFFFAOYSA-N 1 2 228.299 1.859 20 0 BDADLO Cc1cc(N(C)Cc2[nH+]ccn2C)ncn1 ZINC000301915380 178099969 /nfs/dbraw/zinc/09/99/69/178099969.db2.gz IPHWQFBEZXTFSN-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO Cc1cc(N)nc(S[C@@H](C)C(=O)C2CC2)[nH+]1 ZINC000281011519 178109400 /nfs/dbraw/zinc/10/94/00/178109400.db2.gz ORXQRAUMLCBSCK-ZETCQYMHSA-N 1 2 237.328 1.827 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2CCOC2)[nH+]1 ZINC000042153339 178109742 /nfs/dbraw/zinc/10/97/42/178109742.db2.gz YYUFQFREHXSUQW-QMMMGPOBSA-N 1 2 225.317 1.496 20 0 BDADLO Cc1cc(N)nc(SCCCn2cc[nH+]c2)n1 ZINC000134424324 178109824 /nfs/dbraw/zinc/10/98/24/178109824.db2.gz DXBPRJJJMJSFAE-UHFFFAOYSA-N 1 2 249.343 1.746 20 0 BDADLO Cc1cc(N)nc(SCC(=O)C2CCC2)[nH+]1 ZINC000277858825 178109935 /nfs/dbraw/zinc/10/99/35/178109935.db2.gz ABQOYHOSIPDVIQ-UHFFFAOYSA-N 1 2 237.328 1.829 20 0 BDADLO Cc1cc(N2CC[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000301611465 178117358 /nfs/dbraw/zinc/11/73/58/178117358.db2.gz RKAWDXSYJBREQV-GFCCVEGCSA-N 1 2 219.288 1.402 20 0 BDADLO Cc1cc(N2C[C@@H](O)C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000279493588 178120555 /nfs/dbraw/zinc/12/05/55/178120555.db2.gz OUWPRZMZKLEYKH-LLVKDONJSA-N 1 2 247.342 1.870 20 0 BDADLO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccon1 ZINC000336752592 398204798 /nfs/dbraw/zinc/20/47/98/398204798.db2.gz VVNJJQLFVQKLPX-SVRRBLITSA-N 1 2 238.209 1.639 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)no1 ZINC000292919438 178132488 /nfs/dbraw/zinc/13/24/88/178132488.db2.gz GBQPVUKOZJNLMC-APPZFPTMSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)no1 ZINC000292919438 178132490 /nfs/dbraw/zinc/13/24/90/178132490.db2.gz GBQPVUKOZJNLMC-APPZFPTMSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)n(C)n1 ZINC000293056647 178132664 /nfs/dbraw/zinc/13/26/64/178132664.db2.gz RXVXLSYCMYNRDD-PSASIEDQSA-N 1 2 236.319 1.007 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)n(C)n1 ZINC000293056647 178132665 /nfs/dbraw/zinc/13/26/65/178132665.db2.gz RXVXLSYCMYNRDD-PSASIEDQSA-N 1 2 236.319 1.007 20 0 BDADLO Cc1n[nH]c(C)c1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000074716211 178134601 /nfs/dbraw/zinc/13/46/01/178134601.db2.gz RIXHXPHZTRQMKG-UHFFFAOYSA-N 1 2 244.298 1.911 20 0 BDADLO Cc1cc(NC(=O)N(C)C[C@H]2CCOC2)cc[nH+]1 ZINC000119339395 178135474 /nfs/dbraw/zinc/13/54/74/178135474.db2.gz GSTXWARKRICDNE-LLVKDONJSA-N 1 2 249.314 1.890 20 0 BDADLO Cc1cc(NC(=O)N2CCC(=O)[C@H](C)C2)cc[nH+]1 ZINC000281058210 178136469 /nfs/dbraw/zinc/13/64/69/178136469.db2.gz YGWILCWYPGGATA-SECBINFHSA-N 1 2 247.298 1.833 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](CO)C2)cc[nH+]1 ZINC000271097996 178137436 /nfs/dbraw/zinc/13/74/36/178137436.db2.gz XGBDCIASOFFRDN-SNVBAGLBSA-N 1 2 235.287 1.236 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)CO)cc[nH+]1 ZINC000271154860 178138048 /nfs/dbraw/zinc/13/80/48/178138048.db2.gz UPZUHLRHWDBSRP-UHFFFAOYSA-N 1 2 223.276 1.282 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CC[C@@H](O)C2)cc[nH+]1 ZINC000189824846 178140193 /nfs/dbraw/zinc/14/01/93/178140193.db2.gz LCCPDYPLVAAKIY-CMPLNLGQSA-N 1 2 249.314 1.673 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)c2cn[nH]c2)cc[nH+]1 ZINC000271076422 178140756 /nfs/dbraw/zinc/14/07/56/178140756.db2.gz PJQKKTFYERKDRP-VIFPVBQESA-N 1 2 245.286 1.996 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)[C@H]2CCOC2)cc[nH+]1 ZINC000119819036 178142065 /nfs/dbraw/zinc/14/20/65/178142065.db2.gz NZCACKRPMDDCAD-MNOVXSKESA-N 1 2 249.314 1.937 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCOC2)cc[nH+]1 ZINC000066897430 178146083 /nfs/dbraw/zinc/14/60/83/178146083.db2.gz YJJXDHZZZVTYFN-SECBINFHSA-N 1 2 206.245 1.365 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCO2)cc[nH+]1 ZINC000074932055 178147844 /nfs/dbraw/zinc/14/78/44/178147844.db2.gz JNZUAHSCHLLVKS-SNVBAGLBSA-N 1 2 206.245 1.508 20 0 BDADLO Cc1cc(NC2(CO)CCCC2)nc[nH+]1 ZINC000053070887 178152404 /nfs/dbraw/zinc/15/24/04/178152404.db2.gz OSTORSQUNQJBPX-UHFFFAOYSA-N 1 2 207.277 1.502 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@@H](F)C2)c1Cl ZINC000649420292 398219478 /nfs/dbraw/zinc/21/94/78/398219478.db2.gz MBHFXXKVRNLRDH-RXMQYKEDSA-N 1 2 216.647 1.260 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@@H](F)C2)c1Cl ZINC000649420292 398219480 /nfs/dbraw/zinc/21/94/80/398219480.db2.gz MBHFXXKVRNLRDH-RXMQYKEDSA-N 1 2 216.647 1.260 20 0 BDADLO Cc1cc(NCC(=O)NC(C)(C)C)nc[nH+]1 ZINC000096471436 178154683 /nfs/dbraw/zinc/15/46/83/178154683.db2.gz AGZBBKVWMGVWNR-UHFFFAOYSA-N 1 2 222.292 1.112 20 0 BDADLO Cc1cc(NC[C@@H](O)c2ccncc2)nc[nH+]1 ZINC000128519921 178164383 /nfs/dbraw/zinc/16/43/83/178164383.db2.gz QDAAMTINGGNKOZ-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO Cc1cc(NCCn2cnnc2C(C)C)nc[nH+]1 ZINC000301538827 178165896 /nfs/dbraw/zinc/16/58/96/178165896.db2.gz MPGSQSJUBILUEY-UHFFFAOYSA-N 1 2 246.318 1.612 20 0 BDADLO Cc1cc(NC[C@]2(C)CCOC2)nc[nH+]1 ZINC000309142839 178169985 /nfs/dbraw/zinc/16/99/85/178169985.db2.gz HQHVLSMYDROCCO-NSHDSACASA-N 1 2 207.277 1.624 20 0 BDADLO Cc1cc(NCc2nccn2C(F)F)nc[nH+]1 ZINC000112554075 178176750 /nfs/dbraw/zinc/17/67/50/178176750.db2.gz QECMDAUVBQAASL-UHFFFAOYSA-N 1 2 239.229 1.989 20 0 BDADLO Cc1cc(N[C@@H](C)CCS(C)(=O)=O)nc[nH+]1 ZINC000301639124 178178422 /nfs/dbraw/zinc/17/84/22/178178422.db2.gz AWMPDRJOXMVNTM-QMMMGPOBSA-N 1 2 243.332 1.020 20 0 BDADLO CCN(c1ncnc2c1C[N@H+](C)CC2)C(C)C ZINC000264944496 187331908 /nfs/dbraw/zinc/33/19/08/187331908.db2.gz UURDMTQXWLUSIE-UHFFFAOYSA-N 1 2 234.347 1.699 20 0 BDADLO CCN(c1ncnc2c1C[N@@H+](C)CC2)C(C)C ZINC000264944496 187331910 /nfs/dbraw/zinc/33/19/10/187331910.db2.gz UURDMTQXWLUSIE-UHFFFAOYSA-N 1 2 234.347 1.699 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)nc[nH+]1 ZINC000408241678 178179802 /nfs/dbraw/zinc/17/98/02/178179802.db2.gz ZJHDJSLJASKMNB-JMJZKYOTSA-N 1 2 246.314 1.206 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC1(CO)CC1 ZINC000576413058 365591588 /nfs/dbraw/zinc/59/15/88/365591588.db2.gz ZVNOSKBUZFIKBS-UHFFFAOYSA-N 1 2 221.304 1.090 20 0 BDADLO COCCSc1[nH+]cnc2c1cnn2C ZINC000073324644 343986678 /nfs/dbraw/zinc/98/66/78/343986678.db2.gz QYWQWQWMOCLNKX-UHFFFAOYSA-N 1 2 224.289 1.102 20 0 BDADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000342432677 136223064 /nfs/dbraw/zinc/22/30/64/136223064.db2.gz SXTIUXKGPLTEJF-RNCFNFMXSA-N 1 2 244.298 1.427 20 0 BDADLO Cc1cc(N[C@H]2c3ccccc3C[C@@H]2O)nc[nH+]1 ZINC000301450072 178192242 /nfs/dbraw/zinc/19/22/42/178192242.db2.gz SPMGMYVLWIUQLS-JSGCOSHPSA-N 1 2 241.294 1.855 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CO[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000132969888 398232151 /nfs/dbraw/zinc/23/21/51/398232151.db2.gz MLUCAFLYKUJXIP-GUBZILKMSA-N 1 2 237.303 1.402 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCSC1 ZINC000334233781 136224489 /nfs/dbraw/zinc/22/44/89/136224489.db2.gz YMOVOYIFZSRVNZ-SECBINFHSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2)nn1C ZINC000337363557 178229762 /nfs/dbraw/zinc/22/97/62/178229762.db2.gz AJTSFRBLFQDCHU-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO C[C@@H]1CC[C@@H](n2cc(C[N@H+](C)CCO)nn2)C1 ZINC000629941409 361785894 /nfs/dbraw/zinc/78/58/94/361785894.db2.gz JKKNEBYREIXIJX-ZYHUDNBSSA-N 1 2 238.335 1.063 20 0 BDADLO C[C@@H]1CC[C@@H](n2cc(C[N@@H+](C)CCO)nn2)C1 ZINC000629941409 361785899 /nfs/dbraw/zinc/78/58/99/361785899.db2.gz JKKNEBYREIXIJX-ZYHUDNBSSA-N 1 2 238.335 1.063 20 0 BDADLO Cc1cc(N2CCC[C@@H](CCO)C2)c(C#N)c[nH+]1 ZINC000398988375 398233827 /nfs/dbraw/zinc/23/38/27/398233827.db2.gz IRYZXLIENJJQQG-LBPRGKRZSA-N 1 2 245.326 1.861 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nnc[nH]2)c(C)o1 ZINC000037919590 178251743 /nfs/dbraw/zinc/25/17/43/178251743.db2.gz DLCUKNXLISNMLU-QMMMGPOBSA-N 1 2 220.276 1.865 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C/Cl)[C@@H](C)C1 ZINC000268715625 187334189 /nfs/dbraw/zinc/33/41/89/187334189.db2.gz USKCQSCNSJBPRQ-NWALNABHSA-N 1 2 216.712 1.292 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C/Cl)[C@@H](C)C1 ZINC000268715625 187334190 /nfs/dbraw/zinc/33/41/90/187334190.db2.gz USKCQSCNSJBPRQ-NWALNABHSA-N 1 2 216.712 1.292 20 0 BDADLO CC(C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000269787530 187334708 /nfs/dbraw/zinc/33/47/08/187334708.db2.gz DGXANWULKPKQFV-NSHDSACASA-N 1 2 223.320 1.824 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1ccccc1 ZINC000076417440 398239355 /nfs/dbraw/zinc/23/93/55/398239355.db2.gz FQCQJGHYDAMRKQ-ZDUSSCGKSA-N 1 2 248.326 1.276 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1 ZINC000076417440 398239358 /nfs/dbraw/zinc/23/93/58/398239358.db2.gz FQCQJGHYDAMRKQ-ZDUSSCGKSA-N 1 2 248.326 1.276 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1cn[nH]c1 ZINC000629959669 361803369 /nfs/dbraw/zinc/80/33/69/361803369.db2.gz VKKOZLMIBYRSBR-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281617722 538939085 /nfs/dbraw/zinc/93/90/85/538939085.db2.gz PBNHCYWZZUNGDA-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281617722 538939087 /nfs/dbraw/zinc/93/90/87/538939087.db2.gz PBNHCYWZZUNGDA-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ncc[nH]1 ZINC000285987286 538942859 /nfs/dbraw/zinc/94/28/59/538942859.db2.gz HYONSBUZODMGNQ-BDAKNGLRSA-N 1 2 238.335 1.364 20 0 BDADLO Cc1cc2[nH+]cn(C[C@H]3CNC(=O)O3)c2cc1C ZINC000130778382 178305507 /nfs/dbraw/zinc/30/55/07/178305507.db2.gz RPFZXEYITZQWAG-SNVBAGLBSA-N 1 2 245.282 1.762 20 0 BDADLO COc1cc[nH+]cc1Cn1ccnc1C(C)=O ZINC000288551072 538945274 /nfs/dbraw/zinc/94/52/74/538945274.db2.gz IUXARRNCEUCQGC-UHFFFAOYSA-N 1 2 231.255 1.538 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)Cn1cc[nH+]c1 ZINC000576620210 365641295 /nfs/dbraw/zinc/64/12/95/365641295.db2.gz QYLWCSDTTQEGPB-NSHDSACASA-N 1 2 223.320 1.778 20 0 BDADLO Cc1ccc(NC(=O)NCc2c[nH+]cn2C)nc1 ZINC000289281640 538945537 /nfs/dbraw/zinc/94/55/37/538945537.db2.gz AFHIGFBRODSMKW-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000291484270 538947944 /nfs/dbraw/zinc/94/79/44/538947944.db2.gz QLVXZCKXJWMOMD-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCCS1 ZINC000291478468 538948108 /nfs/dbraw/zinc/94/81/08/538948108.db2.gz PXJSGQQLXOATRB-SNVBAGLBSA-N 1 2 239.344 1.322 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291469044 538948133 /nfs/dbraw/zinc/94/81/33/538948133.db2.gz OYHODBQBLWIHCW-NXEZZACHSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccoc1C(=O)NCc1c[nH+]cn1C ZINC000291516558 538948142 /nfs/dbraw/zinc/94/81/42/538948142.db2.gz UQKPJTMNUZMESS-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC=CCC1 ZINC000291464115 538948165 /nfs/dbraw/zinc/94/81/65/538948165.db2.gz OMJBKGMXGTUJLT-JTQLQIEISA-N 1 2 219.288 1.393 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291484378 538948187 /nfs/dbraw/zinc/94/81/87/538948187.db2.gz QNVMFRCDSFULNU-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291544726 538948245 /nfs/dbraw/zinc/94/82/45/538948245.db2.gz YBJFUOZBLVLIGF-SECBINFHSA-N 1 2 209.293 1.328 20 0 BDADLO CN(C)c1[nH+]cc(CN2CC3(CC3)C2)n1C ZINC000335101896 398265306 /nfs/dbraw/zinc/26/53/06/398265306.db2.gz ZHFQATYVZOQKRV-UHFFFAOYSA-N 1 2 220.320 1.082 20 0 BDADLO CN(C)c1ncc(C[NH+]2CC3(CC3)C2)n1C ZINC000335101896 398265314 /nfs/dbraw/zinc/26/53/14/398265314.db2.gz ZHFQATYVZOQKRV-UHFFFAOYSA-N 1 2 220.320 1.082 20 0 BDADLO CN(CC(F)F)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171473107 346823459 /nfs/dbraw/zinc/82/34/59/346823459.db2.gz ZONKHUVPTYOGKF-UHFFFAOYSA-N 1 2 239.225 1.671 20 0 BDADLO OCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000177822819 538952069 /nfs/dbraw/zinc/95/20/69/538952069.db2.gz YWIKJZLDXIRQHS-UHFFFAOYSA-N 1 2 237.303 1.298 20 0 BDADLO OC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000335111122 136233115 /nfs/dbraw/zinc/23/31/15/136233115.db2.gz NOEFFSAQTLKMFG-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cc(C)nn2C)CCO1 ZINC000417780922 398267701 /nfs/dbraw/zinc/26/77/01/398267701.db2.gz WIVYIINSWXTLFB-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)CCO1 ZINC000417780922 398267705 /nfs/dbraw/zinc/26/77/05/398267705.db2.gz WIVYIINSWXTLFB-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1ccc(C(=O)C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114335794 178371167 /nfs/dbraw/zinc/37/11/67/178371167.db2.gz YYUUZCBEHSLOCU-UHFFFAOYSA-N 1 2 243.266 1.217 20 0 BDADLO CC(C)[C@H]1N(C(=O)Cn2cc[nH+]c2)CC12CCC2 ZINC000553069576 398269291 /nfs/dbraw/zinc/26/92/91/398269291.db2.gz HAGZQMOKRQAWEV-CYBMUJFWSA-N 1 2 247.342 1.920 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)nc1C ZINC000318957370 178392747 /nfs/dbraw/zinc/39/27/47/178392747.db2.gz DORPUJNNJIXKEZ-UHFFFAOYSA-N 1 2 233.315 1.086 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCOC ZINC000053257609 346845371 /nfs/dbraw/zinc/84/53/71/346845371.db2.gz TWBQHTSAQKVGSB-JTQLQIEISA-N 1 2 217.309 1.200 20 0 BDADLO COCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000053258203 346849010 /nfs/dbraw/zinc/84/90/10/346849010.db2.gz IYJRLFFKIKWGQP-UHFFFAOYSA-N 1 2 215.293 1.098 20 0 BDADLO Cc1cc(N[C@H](C)[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493355 346850973 /nfs/dbraw/zinc/85/09/73/346850973.db2.gz MDFIWYBHNYJZJT-SVRRBLITSA-N 1 2 235.209 1.509 20 0 BDADLO CCc1nn(C)cc1C[N@H+](C)Cc1cnccn1 ZINC000179886457 538956505 /nfs/dbraw/zinc/95/65/05/538956505.db2.gz GOSVJQFEPLBPPA-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CCc1nn(C)cc1C[N@@H+](C)Cc1cnccn1 ZINC000179886457 538956507 /nfs/dbraw/zinc/95/65/07/538956507.db2.gz GOSVJQFEPLBPPA-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO O=S1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000600116304 342673539 /nfs/dbraw/zinc/67/35/39/342673539.db2.gz ADUHZCDSURUPLZ-UHFFFAOYSA-N 1 2 248.351 1.732 20 0 BDADLO CC[C@@H](C)[C@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000602585097 349611500 /nfs/dbraw/zinc/61/15/00/349611500.db2.gz MEWUEUNOSMCRBH-ZJUUUORDSA-N 1 2 231.336 1.589 20 0 BDADLO CCN(CCC(=O)OC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600115108 342672395 /nfs/dbraw/zinc/67/23/95/342672395.db2.gz NSOPZBKKJUDRNH-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO CCOC(=O)CN(CC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600114435 342672405 /nfs/dbraw/zinc/67/24/05/342672405.db2.gz HCGIMYPFILWWDH-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000600152369 342691578 /nfs/dbraw/zinc/69/15/78/342691578.db2.gz WZTVULLPEXGZOL-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000600152369 342691580 /nfs/dbraw/zinc/69/15/80/342691580.db2.gz WZTVULLPEXGZOL-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1nc(NCC2(CO)CCC2)cc[nH+]1 ZINC000182344449 538962932 /nfs/dbraw/zinc/96/29/32/538962932.db2.gz CGZYAWMZBKXCEL-UHFFFAOYSA-N 1 2 207.277 1.360 20 0 BDADLO CCc1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n[nH]1 ZINC000616352091 342720028 /nfs/dbraw/zinc/72/00/28/342720028.db2.gz SKFWHYSXHWQHAA-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO CCc1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n[nH]1 ZINC000616352091 342720029 /nfs/dbraw/zinc/72/00/29/342720029.db2.gz SKFWHYSXHWQHAA-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C(F)(F)F)CC1 ZINC000600219774 342713648 /nfs/dbraw/zinc/71/36/48/342713648.db2.gz OVEPMTMIINWHAU-UHFFFAOYSA-N 1 2 247.220 1.711 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc(C)[nH+]1 ZINC000616363116 342721547 /nfs/dbraw/zinc/72/15/47/342721547.db2.gz HYMCNHWGXIBFMG-ITGUQSILSA-N 1 2 246.310 1.207 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)ncn1 ZINC000583933042 342728082 /nfs/dbraw/zinc/72/80/82/342728082.db2.gz WJDGOZGRSASEEK-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)ncn1 ZINC000583933042 342728083 /nfs/dbraw/zinc/72/80/83/342728083.db2.gz WJDGOZGRSASEEK-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO CN1CCN(Cc2c[nH+]c[nH]2)c2ccccc21 ZINC000144905858 342754766 /nfs/dbraw/zinc/75/47/66/342754766.db2.gz PWIMHMSXIICJBO-UHFFFAOYSA-N 1 2 228.299 1.866 20 0 BDADLO CN1CCN(Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000144905858 342754767 /nfs/dbraw/zinc/75/47/67/342754767.db2.gz PWIMHMSXIICJBO-UHFFFAOYSA-N 1 2 228.299 1.866 20 0 BDADLO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000183832666 538967777 /nfs/dbraw/zinc/96/77/77/538967777.db2.gz HDVXMURCNFZCOF-QMMMGPOBSA-N 1 2 238.335 1.141 20 0 BDADLO CC[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580994 342796410 /nfs/dbraw/zinc/79/64/10/342796410.db2.gz OHLKWOQCRBYMFK-GHMZBOCLSA-N 1 2 242.269 1.690 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cnc(C)nc1 ZINC000623679773 398290497 /nfs/dbraw/zinc/29/04/97/398290497.db2.gz JGGKGCLIUDIFIV-UHFFFAOYSA-N 1 2 215.247 1.920 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCNC(=O)C2(C)C)n1 ZINC000335437572 398287711 /nfs/dbraw/zinc/28/77/11/398287711.db2.gz SMAOMPJSYSPWCE-UHFFFAOYSA-N 1 2 247.342 1.143 20 0 BDADLO Cc1cccc(CC[N@H+]2CCNC(=O)C2(C)C)n1 ZINC000335437572 398287714 /nfs/dbraw/zinc/28/77/14/398287714.db2.gz SMAOMPJSYSPWCE-UHFFFAOYSA-N 1 2 247.342 1.143 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCSC)C(C)C ZINC000128877397 398289455 /nfs/dbraw/zinc/28/94/55/398289455.db2.gz JQVQQBMUTKZXQR-QMMMGPOBSA-N 1 2 205.323 1.137 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000336461747 342806866 /nfs/dbraw/zinc/80/68/66/342806866.db2.gz IWEKKOYOIJCILY-IAZYJMLFSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+]1CC(=O)N[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000336461747 342806867 /nfs/dbraw/zinc/80/68/67/342806867.db2.gz IWEKKOYOIJCILY-IAZYJMLFSA-N 1 2 210.321 1.591 20 0 BDADLO COC[C@@]1(C)CN(c2cccc[nH+]2)CCO1 ZINC000624774088 342827534 /nfs/dbraw/zinc/82/75/34/342827534.db2.gz KTGFLIGEACWKOX-GFCCVEGCSA-N 1 2 222.288 1.323 20 0 BDADLO CC(C)[C@H](CCO)Nc1cc[nH+]cc1F ZINC000380274591 538987773 /nfs/dbraw/zinc/98/77/73/538987773.db2.gz XLGACSRZFZWFPB-JTQLQIEISA-N 1 2 212.268 1.462 20 0 BDADLO CCC(O)(CC)CNc1cc[nH+]cc1F ZINC000379914651 538981440 /nfs/dbraw/zinc/98/14/40/538981440.db2.gz BALYHTRSQZQTDR-UHFFFAOYSA-N 1 2 212.268 1.606 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000189278532 538981542 /nfs/dbraw/zinc/98/15/42/538981542.db2.gz LBBMVDCWLYXPKD-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000189278532 538981543 /nfs/dbraw/zinc/98/15/43/538981543.db2.gz LBBMVDCWLYXPKD-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO C/C=C/CNC(=O)NCCNc1cccc[nH+]1 ZINC000624826210 342833156 /nfs/dbraw/zinc/83/31/56/342833156.db2.gz UOZUYCMFQFKIRZ-NSCUHMNNSA-N 1 2 234.303 1.369 20 0 BDADLO C[N@H+](Cc1ccsc1)Cc1nccc(N)n1 ZINC000381572362 539004329 /nfs/dbraw/zinc/00/43/29/539004329.db2.gz WPPOGSGMKPSQLT-UHFFFAOYSA-N 1 2 234.328 1.583 20 0 BDADLO C[N@@H+](Cc1ccsc1)Cc1nccc(N)n1 ZINC000381572362 539004331 /nfs/dbraw/zinc/00/43/31/539004331.db2.gz WPPOGSGMKPSQLT-UHFFFAOYSA-N 1 2 234.328 1.583 20 0 BDADLO CC(C)[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1[nH]cc[nH+]1 ZINC000640724282 361961975 /nfs/dbraw/zinc/96/19/75/361961975.db2.gz KHDAALAVITZJRF-ZDCRXTMVSA-N 1 2 249.314 1.115 20 0 BDADLO Cc1ccc(C[NH2+]C(CF)CF)cn1 ZINC000449380926 398295628 /nfs/dbraw/zinc/29/56/28/398295628.db2.gz PHRMUUZBRAAPOJ-UHFFFAOYSA-N 1 2 200.232 1.787 20 0 BDADLO CCc1cc(NCCn2cccc2)nc[nH+]1 ZINC000381288591 538997878 /nfs/dbraw/zinc/99/78/78/538997878.db2.gz CJBGVOBANJZNGT-UHFFFAOYSA-N 1 2 216.288 1.375 20 0 BDADLO C[C@H](Cn1cccn1)Nc1cc[nH+]cc1F ZINC000381329369 538998198 /nfs/dbraw/zinc/99/81/98/538998198.db2.gz SKUVOJAVIKWTEU-SECBINFHSA-N 1 2 220.251 1.340 20 0 BDADLO CC(C)[C@H](NC(=O)c1ncc[nH]1)c1[nH]cc[nH+]1 ZINC000640730689 361964295 /nfs/dbraw/zinc/96/42/95/361964295.db2.gz QAPWEWGPLMMBFY-QMMMGPOBSA-N 1 2 233.275 1.260 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000348850100 136242183 /nfs/dbraw/zinc/24/21/83/136242183.db2.gz SDDQCSUMHNDLED-JTQLQIEISA-N 1 2 240.351 1.500 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000348850100 136242184 /nfs/dbraw/zinc/24/21/84/136242184.db2.gz SDDQCSUMHNDLED-JTQLQIEISA-N 1 2 240.351 1.500 20 0 BDADLO Cc1cc(NC(=O)NC[C@](C)(O)C2CC2)cc[nH+]1 ZINC000348842709 136242191 /nfs/dbraw/zinc/24/21/91/136242191.db2.gz ADDLYVLCQMQQGD-ZDUSSCGKSA-N 1 2 249.314 1.094 20 0 BDADLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccon1 ZINC000390583101 539026394 /nfs/dbraw/zinc/02/63/94/539026394.db2.gz XKOSIAINNXCHLJ-BXKDBHETSA-N 1 2 221.304 1.247 20 0 BDADLO Cc1cc(N2CC[C@@H](O)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000649501599 398299624 /nfs/dbraw/zinc/29/96/24/398299624.db2.gz NXVAILRGBUEOOU-MWLCHTKSSA-N 1 2 233.315 1.622 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCS[C@H](C)C1 ZINC000335860847 398300715 /nfs/dbraw/zinc/30/07/15/398300715.db2.gz DWLXMIMGYLPDSF-BDAKNGLRSA-N 1 2 226.349 1.313 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCS[C@H](C)C1 ZINC000335860847 398300716 /nfs/dbraw/zinc/30/07/16/398300716.db2.gz DWLXMIMGYLPDSF-BDAKNGLRSA-N 1 2 226.349 1.313 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)C[C@@H]1F ZINC000335637198 136242909 /nfs/dbraw/zinc/24/29/09/136242909.db2.gz XIPWANWIVYVZJL-GZMMTYOYSA-N 1 2 225.267 1.127 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000569540047 398306643 /nfs/dbraw/zinc/30/66/43/398306643.db2.gz HEPOUXQTPPBRQG-UHFFFAOYSA-N 1 2 246.310 1.734 20 0 BDADLO CCOC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000569540047 398306644 /nfs/dbraw/zinc/30/66/44/398306644.db2.gz HEPOUXQTPPBRQG-UHFFFAOYSA-N 1 2 246.310 1.734 20 0 BDADLO COc1ccc[nH+]c1NCCCCCO ZINC000229142611 342898469 /nfs/dbraw/zinc/89/84/69/342898469.db2.gz BIRXVHLKLHVCEN-UHFFFAOYSA-N 1 2 210.277 1.665 20 0 BDADLO CC[C@H](CSC)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493367107 529410108 /nfs/dbraw/zinc/41/01/08/529410108.db2.gz JMZRCTUDJFUDJF-XRVBUDJMSA-N 1 2 239.344 1.681 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCC(C)(C)C2)[nH+]1 ZINC000351512325 136246407 /nfs/dbraw/zinc/24/64/07/136246407.db2.gz ZCKIWLCRMPYYHB-JTQLQIEISA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H]2CCC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000351512325 136246408 /nfs/dbraw/zinc/24/64/08/136246408.db2.gz ZCKIWLCRMPYYHB-JTQLQIEISA-N 1 2 249.362 1.659 20 0 BDADLO CCc1nnc(CNc2nc(C)[nH+]cc2C)o1 ZINC000584004846 342900340 /nfs/dbraw/zinc/90/03/40/342900340.db2.gz XHCICAQFCLMWEG-UHFFFAOYSA-N 1 2 233.275 1.073 20 0 BDADLO C[N@H+](Cc1noc(C2CCC2)n1)C(C)(C)CO ZINC000625177735 342902144 /nfs/dbraw/zinc/90/21/44/342902144.db2.gz TYSPWZMEWWXDDI-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[N@@H+](Cc1noc(C2CCC2)n1)C(C)(C)CO ZINC000625177735 342902145 /nfs/dbraw/zinc/90/21/45/342902145.db2.gz TYSPWZMEWWXDDI-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccns1 ZINC000602622097 349641337 /nfs/dbraw/zinc/64/13/37/349641337.db2.gz JOTGGZNJGWUEEV-NSHDSACASA-N 1 2 240.328 1.671 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccns1 ZINC000602622097 349641338 /nfs/dbraw/zinc/64/13/38/349641338.db2.gz JOTGGZNJGWUEEV-NSHDSACASA-N 1 2 240.328 1.671 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCCCC1 ZINC000045784503 342923205 /nfs/dbraw/zinc/92/32/05/342923205.db2.gz ZTJZZFXTNSUGFG-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCCCC1 ZINC000045784503 342923206 /nfs/dbraw/zinc/92/32/06/342923206.db2.gz ZTJZZFXTNSUGFG-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CSCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000590239776 346871606 /nfs/dbraw/zinc/87/16/06/346871606.db2.gz NVMRRXJWMHOISK-SNVBAGLBSA-N 1 2 249.343 1.242 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@@H]2CCCC[C@@H]2O)no1 ZINC000351599216 136247384 /nfs/dbraw/zinc/24/73/84/136247384.db2.gz CUYUAZCXYBLXDV-GDPRMGEGSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@@H]2CCCC[C@@H]2O)no1 ZINC000351599216 136247385 /nfs/dbraw/zinc/24/73/85/136247385.db2.gz CUYUAZCXYBLXDV-GDPRMGEGSA-N 1 2 239.319 1.674 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000351599297 136247620 /nfs/dbraw/zinc/24/76/20/136247620.db2.gz WODISDUVLFCPRF-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCc2nn[nH]c2C1 ZINC000351599297 136247621 /nfs/dbraw/zinc/24/76/21/136247621.db2.gz WODISDUVLFCPRF-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO CCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000034519320 346873990 /nfs/dbraw/zinc/87/39/90/346873990.db2.gz PWBUOIRVNBNDEH-LBPRGKRZSA-N 1 2 221.300 1.770 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCC12CCC2)C(=O)OC ZINC000602632130 349648917 /nfs/dbraw/zinc/64/89/17/349648917.db2.gz DVRNPQPVCIXTIA-UWVGGRQHSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CC[C@@H]2CCCO2)no1 ZINC000351627558 136248593 /nfs/dbraw/zinc/24/85/93/136248593.db2.gz GSMAOAXZRCSOQM-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CC[C@@H]2CCCO2)no1 ZINC000351627558 136248594 /nfs/dbraw/zinc/24/85/94/136248594.db2.gz GSMAOAXZRCSOQM-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CCC(F)(F)CNc1cc(C)[nH+]cn1 ZINC000624560288 344010994 /nfs/dbraw/zinc/01/09/94/344010994.db2.gz YEQHKNKXWSKMLZ-UHFFFAOYSA-N 1 2 201.220 1.664 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)on1 ZINC000351653166 136249152 /nfs/dbraw/zinc/24/91/52/136249152.db2.gz UNHRCSXNBWRZNB-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)on1 ZINC000351653166 136249153 /nfs/dbraw/zinc/24/91/53/136249153.db2.gz UNHRCSXNBWRZNB-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2nnc(C)s2)C1 ZINC000495245410 529443127 /nfs/dbraw/zinc/44/31/27/529443127.db2.gz BXXRRDLZQYJWSG-JTQLQIEISA-N 1 2 227.333 1.193 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000495245410 529443131 /nfs/dbraw/zinc/44/31/31/529443131.db2.gz BXXRRDLZQYJWSG-JTQLQIEISA-N 1 2 227.333 1.193 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cnnn1C ZINC000351653594 136249402 /nfs/dbraw/zinc/24/94/02/136249402.db2.gz WPBHMGLRXBLGOW-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)Cc1cnnn1C ZINC000351653594 136249403 /nfs/dbraw/zinc/24/94/03/136249403.db2.gz WPBHMGLRXBLGOW-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000450062061 529448744 /nfs/dbraw/zinc/44/87/44/529448744.db2.gz ZVYFJPLUBUCQCF-JHJVBQTASA-N 1 2 247.342 1.920 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000602643645 349656127 /nfs/dbraw/zinc/65/61/27/349656127.db2.gz GZKSTLPAQLWUGF-LLVKDONJSA-N 1 2 221.300 1.689 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000602644309 349656706 /nfs/dbraw/zinc/65/67/06/349656706.db2.gz MFJGOZHEWKZFQP-NEPJUHHUSA-N 1 2 247.338 1.943 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000602644310 349656833 /nfs/dbraw/zinc/65/68/33/349656833.db2.gz MFJGOZHEWKZFQP-VXGBXAGGSA-N 1 2 247.338 1.943 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000602646351 349657488 /nfs/dbraw/zinc/65/74/88/349657488.db2.gz WIEUKWMVBZOZNQ-ZYHUDNBSSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@]2(C)CO)no1 ZINC000351626649 136248953 /nfs/dbraw/zinc/24/89/53/136248953.db2.gz GUUREEHNESJDEE-XRNSZHNASA-N 1 2 239.319 1.580 20 0 BDADLO COC(=O)c1cc(C[NH2+]CC(C)(F)F)[nH]c1C ZINC000602675585 349669379 /nfs/dbraw/zinc/66/93/79/349669379.db2.gz MLDFJEDAYXLADY-UHFFFAOYSA-N 1 2 246.257 1.855 20 0 BDADLO Cc1cccnc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000561225717 398338543 /nfs/dbraw/zinc/33/85/43/398338543.db2.gz PNPBTBPTLGWRGQ-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000493547125 529456648 /nfs/dbraw/zinc/45/66/48/529456648.db2.gz FAXHSEHRJOETBL-PZIAFJOJSA-N 1 2 249.314 1.497 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]CC(C)(F)F)[nH]1 ZINC000602677412 349670101 /nfs/dbraw/zinc/67/01/01/349670101.db2.gz ZVKZMTNSDLCLBU-UHFFFAOYSA-N 1 2 246.257 1.936 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493839572 529457983 /nfs/dbraw/zinc/45/79/83/529457983.db2.gz BEYBHQQCENCLHV-VEMNSZJBSA-N 1 2 247.220 1.880 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000580309183 346887835 /nfs/dbraw/zinc/88/78/35/346887835.db2.gz KHJNQBAGRKPVMI-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000580309183 346887839 /nfs/dbraw/zinc/88/78/39/346887839.db2.gz KHJNQBAGRKPVMI-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO COC(=O)c1[nH]c(C[N@@H+]2CC[C@@H](F)C2)cc1C ZINC000602674060 349667479 /nfs/dbraw/zinc/66/74/79/349667479.db2.gz DOIPZZBTMWSTGG-SECBINFHSA-N 1 2 240.278 1.654 20 0 BDADLO COC(=O)c1[nH]c(C[N@H+]2CC[C@@H](F)C2)cc1C ZINC000602674060 349667481 /nfs/dbraw/zinc/66/74/81/349667481.db2.gz DOIPZZBTMWSTGG-SECBINFHSA-N 1 2 240.278 1.654 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC(C)C)C1CC1 ZINC000602682797 349674348 /nfs/dbraw/zinc/67/43/48/349674348.db2.gz RZNGLZYOQKVABL-ONGXEEELSA-N 1 2 229.320 1.341 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000602682838 349674383 /nfs/dbraw/zinc/67/43/83/349674383.db2.gz SIYBRCQKPPPJTD-GRYCIOLGSA-N 1 2 243.347 1.874 20 0 BDADLO COCC1(C[NH2+][C@@H](C)C(=O)OC(C)C)CCC1 ZINC000602682000 349674564 /nfs/dbraw/zinc/67/45/64/349674564.db2.gz PBYCELFJLCTMRS-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H]1[C@@H](CO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493282575 529478623 /nfs/dbraw/zinc/47/86/23/529478623.db2.gz GPULXCOXXNSIDC-YIZUVKHSSA-N 1 2 249.314 1.042 20 0 BDADLO CCCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627369097 346898664 /nfs/dbraw/zinc/89/86/64/346898664.db2.gz KJJRWZMGQBTZES-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO CCCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627369097 346898665 /nfs/dbraw/zinc/89/86/65/346898665.db2.gz KJJRWZMGQBTZES-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO CSC1(C[N@@H+]2Cc3cnn(C)c3C2)CC1 ZINC000602718136 349686534 /nfs/dbraw/zinc/68/65/34/349686534.db2.gz GEPYBSDVHUTLML-UHFFFAOYSA-N 1 2 223.345 1.631 20 0 BDADLO CSC1(C[N@H+]2Cc3cnn(C)c3C2)CC1 ZINC000602718136 349686536 /nfs/dbraw/zinc/68/65/36/349686536.db2.gz GEPYBSDVHUTLML-UHFFFAOYSA-N 1 2 223.345 1.631 20 0 BDADLO FC(F)C[NH2+][C@@H]1CCO[C@H]1c1cc[nH]n1 ZINC000625587279 344017754 /nfs/dbraw/zinc/01/77/54/344017754.db2.gz LJALROPIDDGTOC-HZGVNTEJSA-N 1 2 217.219 1.094 20 0 BDADLO COC1CC([N@H+](C)Cc2c(Cl)cnn2C)C1 ZINC000348718970 536717640 /nfs/dbraw/zinc/71/76/40/536717640.db2.gz YYAGUKZBACJBOS-UHFFFAOYSA-N 1 2 243.738 1.683 20 0 BDADLO COC1CC([N@@H+](C)Cc2c(Cl)cnn2C)C1 ZINC000348718970 536717644 /nfs/dbraw/zinc/71/76/44/536717644.db2.gz YYAGUKZBACJBOS-UHFFFAOYSA-N 1 2 243.738 1.683 20 0 BDADLO Cc1cc(N[C@@H]2CCCCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000301970501 187207353 /nfs/dbraw/zinc/20/73/53/187207353.db2.gz RKRRCHDJRYDDIE-WDEREUQCSA-N 1 2 248.330 1.631 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCO[C@H](C)C1 ZINC000493120620 529550890 /nfs/dbraw/zinc/55/08/90/529550890.db2.gz QMVHXJQUBZKHCG-SGUJLRQBSA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(F)F ZINC000493470369 529552330 /nfs/dbraw/zinc/55/23/30/529552330.db2.gz ZKIWTGJYPRJPII-SNAWJCMRSA-N 1 2 243.257 1.688 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000493091036 529555930 /nfs/dbraw/zinc/55/59/30/529555930.db2.gz KXXUENLQAJCXBI-FIYMAEDHSA-N 1 2 245.326 1.831 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2nnc(C)s2)C1 ZINC000495245411 529576272 /nfs/dbraw/zinc/57/62/72/529576272.db2.gz BXXRRDLZQYJWSG-SNVBAGLBSA-N 1 2 227.333 1.193 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000495245411 529576275 /nfs/dbraw/zinc/57/62/75/529576275.db2.gz BXXRRDLZQYJWSG-SNVBAGLBSA-N 1 2 227.333 1.193 20 0 BDADLO C[C@H]1[N@H+](Cc2cnccn2)CCOC1(C)C ZINC000562679361 323027285 /nfs/dbraw/zinc/02/72/85/323027285.db2.gz RJLBUQDVRDTDPO-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1[N@@H+](Cc2cnccn2)CCOC1(C)C ZINC000562679361 323027286 /nfs/dbraw/zinc/02/72/86/323027286.db2.gz RJLBUQDVRDTDPO-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000527975328 262901179 /nfs/dbraw/zinc/90/11/79/262901179.db2.gz VBUPBUKCLIACBX-FXAINCCUSA-N 1 2 223.320 1.936 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000602772087 349726193 /nfs/dbraw/zinc/72/61/93/349726193.db2.gz OJMAQSGWMYEPST-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000602772087 349726196 /nfs/dbraw/zinc/72/61/96/349726196.db2.gz OJMAQSGWMYEPST-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO CCOC(=O)CCN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000602772087 349726198 /nfs/dbraw/zinc/72/61/98/349726198.db2.gz OJMAQSGWMYEPST-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cccc(F)c1F ZINC000046062491 343015050 /nfs/dbraw/zinc/01/50/50/343015050.db2.gz DVNOTQQEWPELEP-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cccc(F)c1F ZINC000046062491 343015052 /nfs/dbraw/zinc/01/50/52/343015052.db2.gz DVNOTQQEWPELEP-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cccn2C)cn1 ZINC000351871381 136260329 /nfs/dbraw/zinc/26/03/29/136260329.db2.gz SOVOUJYUGUFOAG-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cccn2C)cn1 ZINC000351871381 136260330 /nfs/dbraw/zinc/26/03/30/136260330.db2.gz SOVOUJYUGUFOAG-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)C(C)C ZINC000602809422 349753201 /nfs/dbraw/zinc/75/32/01/349753201.db2.gz HKTWKFPNGZJQGW-GHMZBOCLSA-N 1 2 243.347 1.589 20 0 BDADLO O=C1N=NC(C[NH+]2CCC3(CC3)CC2)S1 ZINC000367450098 187220645 /nfs/dbraw/zinc/22/06/45/187220645.db2.gz NQFJQEUXUKFDIB-UHFFFAOYSA-N 1 2 225.317 1.620 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000602815388 349757967 /nfs/dbraw/zinc/75/79/67/349757967.db2.gz KDBRCVDEIIYEPN-SDDRHHMPSA-N 1 2 225.336 1.287 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000602815388 349757970 /nfs/dbraw/zinc/75/79/70/349757970.db2.gz KDBRCVDEIIYEPN-SDDRHHMPSA-N 1 2 225.336 1.287 20 0 BDADLO CN(Cc1ccc(O)cc1)C(=O)Cn1cc[nH+]c1 ZINC000048561790 343040391 /nfs/dbraw/zinc/04/03/91/343040391.db2.gz KMSMYMMMNIQOFF-UHFFFAOYSA-N 1 2 245.282 1.247 20 0 BDADLO CC[N@H+](Cc1ncnn1C)Cc1ccccc1 ZINC000176979452 346919929 /nfs/dbraw/zinc/91/99/29/346919929.db2.gz MNZPORQZQVFPQI-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1ncnn1C)Cc1ccccc1 ZINC000176979452 346919933 /nfs/dbraw/zinc/91/99/33/346919933.db2.gz MNZPORQZQVFPQI-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1nccs1 ZINC000683563826 488196473 /nfs/dbraw/zinc/19/64/73/488196473.db2.gz UKBNMXVMORVZTJ-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO CC(C)=C(F)C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000370530680 187222415 /nfs/dbraw/zinc/22/24/15/187222415.db2.gz HQPOPDKJRQXOKM-VIFPVBQESA-N 1 2 237.278 1.578 20 0 BDADLO Cn1cc[nH+]c1CSc1ncnc2[nH]cnc21 ZINC000118179496 187222685 /nfs/dbraw/zinc/22/26/85/187222685.db2.gz ILHQXOGLOPTZSQ-UHFFFAOYSA-N 1 2 246.299 1.379 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373581926 187223638 /nfs/dbraw/zinc/22/36/38/187223638.db2.gz KCBRPPHWPDEXHH-SNVBAGLBSA-N 1 2 221.304 1.312 20 0 BDADLO C[C@H]1CC=NN(CCCn2cc[nH+]c2)C1=O ZINC000634632980 343044428 /nfs/dbraw/zinc/04/44/28/343044428.db2.gz GNFSBKHLKVSXIA-JTQLQIEISA-N 1 2 220.276 1.127 20 0 BDADLO CC1(c2cc(=O)n(CCCn3cc[nH+]c3)[nH]2)CC1 ZINC000634634484 343047204 /nfs/dbraw/zinc/04/72/04/343047204.db2.gz ZPYHGJDVHIXEFN-UHFFFAOYSA-N 1 2 246.314 1.662 20 0 BDADLO CCC[C@@H]1C(=O)N(CCCn2cc[nH+]c2)N=C1C ZINC000634634213 343047301 /nfs/dbraw/zinc/04/73/01/343047301.db2.gz RSAGIBDYKXZEAX-LBPRGKRZSA-N 1 2 248.330 1.908 20 0 BDADLO Cc1cc(N[C@@H](C)CC(N)=O)nc(C(C)C)[nH+]1 ZINC000122251424 187225143 /nfs/dbraw/zinc/22/51/43/187225143.db2.gz XYISQAGQVBVSDP-QMMMGPOBSA-N 1 2 236.319 1.584 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377449980 187226386 /nfs/dbraw/zinc/22/63/86/187226386.db2.gz YIRYZJVXEGTCFW-BDAKNGLRSA-N 1 2 243.270 1.257 20 0 BDADLO C[C@H]1C[NH+](Cc2nncn2C)C[C@H](C)C1(F)F ZINC000625652649 344026487 /nfs/dbraw/zinc/02/64/87/344026487.db2.gz FEMNVWSGTPYQOQ-IUCAKERBSA-N 1 2 244.289 1.538 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@H](C)O1 ZINC000394978079 362103165 /nfs/dbraw/zinc/10/31/65/362103165.db2.gz COFASXOBGGCSAV-KHQFGBGNSA-N 1 2 247.302 1.341 20 0 BDADLO FCCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000640938552 362082862 /nfs/dbraw/zinc/08/28/62/362082862.db2.gz RIGUUKWHJSQZAT-UHFFFAOYSA-N 1 2 244.339 1.187 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)cc1F ZINC000398302956 343116839 /nfs/dbraw/zinc/11/68/39/343116839.db2.gz NPKPWOIDURXNRA-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CCOCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000576956031 365732502 /nfs/dbraw/zinc/73/25/02/365732502.db2.gz VDZFPAYUDNVFEJ-SNVBAGLBSA-N 1 2 239.319 1.083 20 0 BDADLO CCOCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000576956031 365732504 /nfs/dbraw/zinc/73/25/04/365732504.db2.gz VDZFPAYUDNVFEJ-SNVBAGLBSA-N 1 2 239.319 1.083 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1C(=O)[O-] ZINC000126047190 343168483 /nfs/dbraw/zinc/16/84/83/343168483.db2.gz JQSMPBHEVQGZRQ-VIFPVBQESA-N 1 2 246.270 1.477 20 0 BDADLO C[C@@H](NC(=O)c1ccco1)c1[nH]cc[nH+]1 ZINC000125394844 343173605 /nfs/dbraw/zinc/17/36/05/343173605.db2.gz RMOSTJQUWSNCFF-SSDOTTSWSA-N 1 2 205.217 1.494 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000125396669 343173635 /nfs/dbraw/zinc/17/36/35/343173635.db2.gz LLQJMJNLZDZAEY-BDAKNGLRSA-N 1 2 223.276 1.156 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125390056 343173701 /nfs/dbraw/zinc/17/37/01/343173701.db2.gz DFFRXJCLQCWDKI-DTWKUNHWSA-N 1 2 209.293 1.879 20 0 BDADLO CC[C@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000168372062 343210015 /nfs/dbraw/zinc/21/00/15/343210015.db2.gz GLTWFUJFUBPUCF-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000168201882 343210069 /nfs/dbraw/zinc/21/00/69/343210069.db2.gz GBZAYRQXIHZRSI-GUBZILKMSA-N 1 2 229.320 1.077 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000177872648 136274185 /nfs/dbraw/zinc/27/41/85/136274185.db2.gz XUNKHGDOLIRBGG-BDAKNGLRSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000177872648 136274186 /nfs/dbraw/zinc/27/41/86/136274186.db2.gz XUNKHGDOLIRBGG-BDAKNGLRSA-N 1 2 209.293 1.862 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000625312992 343230965 /nfs/dbraw/zinc/23/09/65/343230965.db2.gz HSXNTOBWPIOZHB-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000625312992 343230967 /nfs/dbraw/zinc/23/09/67/343230967.db2.gz HSXNTOBWPIOZHB-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000625341680 343241428 /nfs/dbraw/zinc/24/14/28/343241428.db2.gz WJADPLZPKSBPGU-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000625341680 343241430 /nfs/dbraw/zinc/24/14/30/343241430.db2.gz WJADPLZPKSBPGU-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO CC(C)(C)CCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641043365 362154162 /nfs/dbraw/zinc/15/41/62/362154162.db2.gz QUNYPDMQZLMPLM-NSHDSACASA-N 1 2 238.335 1.375 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCCC1CCC1 ZINC000618614926 343324749 /nfs/dbraw/zinc/32/47/49/343324749.db2.gz SDRRTOTZVOURQT-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CCCOC3)no1 ZINC000334636167 136292870 /nfs/dbraw/zinc/29/28/70/136292870.db2.gz BZADHCKPODMNTM-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO C[C@H](CC(=O)N(C1CC1)C1COC1)n1cc[nH+]c1 ZINC000584055998 343308360 /nfs/dbraw/zinc/30/83/60/343308360.db2.gz AEPLRDNPONGCQS-SNVBAGLBSA-N 1 2 249.314 1.224 20 0 BDADLO CCO[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000625371545 343359375 /nfs/dbraw/zinc/35/93/75/343359375.db2.gz PMHOPAVEZFICDS-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO COc1cc(C[NH2+]Cc2cn[nH]c2C)ccc1O ZINC000037989169 343364431 /nfs/dbraw/zinc/36/44/31/343364431.db2.gz HGTNCPSWRQKHQU-UHFFFAOYSA-N 1 2 247.298 1.722 20 0 BDADLO C[C@H]1C[C@@H]1C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000625383493 343366309 /nfs/dbraw/zinc/36/63/09/343366309.db2.gz LTBRZPOREHQWEX-WCBMZHEXSA-N 1 2 236.319 1.346 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000348835890 136301472 /nfs/dbraw/zinc/30/14/72/136301472.db2.gz VEIYGWQCISOABW-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000348835890 136301473 /nfs/dbraw/zinc/30/14/73/136301473.db2.gz VEIYGWQCISOABW-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO CC/C=C\CCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641066329 362174901 /nfs/dbraw/zinc/17/49/01/362174901.db2.gz YUDYQJYCXRXRHC-MVZIDQBPSA-N 1 2 236.319 1.295 20 0 BDADLO COCc1ccccc1C[NH2+]Cc1ccn[nH]1 ZINC000037762805 343354285 /nfs/dbraw/zinc/35/42/85/343354285.db2.gz FKVZCLLLJYOTHX-UHFFFAOYSA-N 1 2 231.299 1.846 20 0 BDADLO Cn1ncnc1C[N@H+](C)C1CC(C)(C)C1 ZINC000335657441 136307000 /nfs/dbraw/zinc/30/70/00/136307000.db2.gz SWGPXPSQDMTWRU-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO Cn1ncnc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000335657441 136307001 /nfs/dbraw/zinc/30/70/01/136307001.db2.gz SWGPXPSQDMTWRU-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO Cc1ccc(Cn2nccc2C(N)=O)c(C)[nH+]1 ZINC000335668621 136312155 /nfs/dbraw/zinc/31/21/55/136312155.db2.gz WHTIPJSWVQXYIM-UHFFFAOYSA-N 1 2 230.271 1.042 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H]2CCC[C@H]21 ZINC000335669152 136312640 /nfs/dbraw/zinc/31/26/40/136312640.db2.gz CQGZTMDCXFYKBO-NEPJUHHUSA-N 1 2 235.331 1.656 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000335672169 136313878 /nfs/dbraw/zinc/31/38/78/136313878.db2.gz PUFUXRVFRSTISB-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000335672169 136313879 /nfs/dbraw/zinc/31/38/79/136313879.db2.gz PUFUXRVFRSTISB-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC2(CCO2)CC1 ZINC000367070397 136316891 /nfs/dbraw/zinc/31/68/91/136316891.db2.gz CPJIPWFEZQYCKN-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274611002 187338064 /nfs/dbraw/zinc/33/80/64/187338064.db2.gz ONCJEHQXBPTVJU-GRYCIOLGSA-N 1 2 235.331 1.680 20 0 BDADLO COC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609251587 343395285 /nfs/dbraw/zinc/39/52/85/343395285.db2.gz MSHZKZYHMMNHNR-ZDUSSCGKSA-N 1 2 249.310 1.623 20 0 BDADLO COC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609251587 343395286 /nfs/dbraw/zinc/39/52/86/343395286.db2.gz MSHZKZYHMMNHNR-ZDUSSCGKSA-N 1 2 249.310 1.623 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc[nH]1)c1cccc(O)c1 ZINC000037919344 187260556 /nfs/dbraw/zinc/26/05/56/187260556.db2.gz QPFWFEJMWZELJT-MRVPVSSYSA-N 1 2 218.260 1.361 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@](C)(F)C1 ZINC000335728700 136348095 /nfs/dbraw/zinc/34/80/95/136348095.db2.gz UBZLRACDNHFPBT-NSHDSACASA-N 1 2 240.282 1.064 20 0 BDADLO COCC[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641086900 362209295 /nfs/dbraw/zinc/20/92/95/362209295.db2.gz VJTYAZYSKDSMIS-JTQLQIEISA-N 1 2 235.291 1.120 20 0 BDADLO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccon1 ZINC000349201291 136331432 /nfs/dbraw/zinc/33/14/32/136331432.db2.gz NSGJUDYWKZOTSE-VIFPVBQESA-N 1 2 249.270 1.235 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnc2n1CCCC2 ZINC000335713556 136338170 /nfs/dbraw/zinc/33/81/70/136338170.db2.gz LFMADFJQHLGAAF-UWVGGRQHSA-N 1 2 220.320 1.597 20 0 BDADLO Cc1noc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000335714199 136338737 /nfs/dbraw/zinc/33/87/37/136338737.db2.gz REGRIQNMTJPFEA-OCAPTIKFSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1noc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000335714199 136338738 /nfs/dbraw/zinc/33/87/38/136338738.db2.gz REGRIQNMTJPFEA-OCAPTIKFSA-N 1 2 227.333 1.704 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1=CCCCC1 ZINC000335716126 136339306 /nfs/dbraw/zinc/33/93/06/136339306.db2.gz LUWMCHFPCOJIIQ-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCn3cc[nH+]c3C2)[nH]1 ZINC000335885182 136357913 /nfs/dbraw/zinc/35/79/13/136357913.db2.gz BXOMRHLFAJBLRT-UHFFFAOYSA-N 1 2 244.298 1.484 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000335899941 136359919 /nfs/dbraw/zinc/35/99/19/136359919.db2.gz FRXCMVQXJKGBLJ-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000335899941 136359920 /nfs/dbraw/zinc/35/99/20/136359920.db2.gz FRXCMVQXJKGBLJ-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H](CF)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000350521049 136361906 /nfs/dbraw/zinc/36/19/06/136361906.db2.gz VVBMPJKXXXCIAI-GHMZBOCLSA-N 1 2 245.342 1.518 20 0 BDADLO C[C@@H]([NH2+]CCNc1cnccn1)c1ccncc1 ZINC000350550298 136361930 /nfs/dbraw/zinc/36/19/30/136361930.db2.gz AMBITUNKBHJJQP-LLVKDONJSA-N 1 2 243.314 1.056 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000350669728 136362362 /nfs/dbraw/zinc/36/23/62/136362362.db2.gz NHDRJLWPAWLPRG-NXEZZACHSA-N 1 2 229.283 1.589 20 0 BDADLO CCC(=O)c1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000641097231 362224176 /nfs/dbraw/zinc/22/41/76/362224176.db2.gz YOTMWYLHYDICRM-UHFFFAOYSA-N 1 2 244.298 1.931 20 0 BDADLO Cc1ccncc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351111871 136367980 /nfs/dbraw/zinc/36/79/80/136367980.db2.gz GDKIBKDAHOCPLT-DRZSPHRISA-N 1 2 245.326 1.199 20 0 BDADLO Cc1cc(NCc2[nH+]ccn2C)ncn1 ZINC000070853817 343514545 /nfs/dbraw/zinc/51/45/45/343514545.db2.gz VUVHAQBCZZCZKE-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)Cc1cnccn1 ZINC000278507922 187340903 /nfs/dbraw/zinc/34/09/03/187340903.db2.gz WLQQLCPZCYJCLK-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)Cc1cnccn1 ZINC000278507922 187340905 /nfs/dbraw/zinc/34/09/05/187340905.db2.gz WLQQLCPZCYJCLK-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO CCc1nc(C[NH2+]C2(C3CC3)CC2)no1 ZINC000379952470 365760802 /nfs/dbraw/zinc/76/08/02/365760802.db2.gz UEZVCDPZPHZJLF-UHFFFAOYSA-N 1 2 207.277 1.664 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1=CCCC1 ZINC000620008631 343560501 /nfs/dbraw/zinc/56/05/01/343560501.db2.gz PXQQWKCSKPNFDN-UHFFFAOYSA-N 1 2 219.288 1.189 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)C(=O)OC ZINC000379493974 343565764 /nfs/dbraw/zinc/56/57/64/343565764.db2.gz VQOCNFHZKRPKQA-VGMNWLOBSA-N 1 2 217.334 1.422 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)C1CC1 ZINC000048113738 343571272 /nfs/dbraw/zinc/57/12/72/343571272.db2.gz LOVCLZOLEANTQG-NXEZZACHSA-N 1 2 236.319 1.369 20 0 BDADLO CCc1cc(N[C@H]2CCCOC2)nc[nH+]1 ZINC000071014325 343585223 /nfs/dbraw/zinc/58/52/23/343585223.db2.gz PSJWVTZNNVKNMS-JTQLQIEISA-N 1 2 207.277 1.630 20 0 BDADLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC1 ZINC000043642762 187266822 /nfs/dbraw/zinc/26/68/22/187266822.db2.gz BIXIKAFKHBRWHB-UHFFFAOYSA-N 1 2 242.282 1.503 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCn1cccn1)C(C)(C)C ZINC000118961043 343580550 /nfs/dbraw/zinc/58/05/50/343580550.db2.gz IUORYIABQSUVSP-SNVBAGLBSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@@](C)(F)C1 ZINC000570222191 323053344 /nfs/dbraw/zinc/05/33/44/323053344.db2.gz HZZANNSFJQZYNB-GZMMTYOYSA-N 1 2 224.283 1.384 20 0 BDADLO C1=CCC(C[N@@H+]2CCOC[C@@H]2c2ncno2)C1 ZINC000625414955 343606002 /nfs/dbraw/zinc/60/60/02/343606002.db2.gz PEOLAQBOFANUGY-LLVKDONJSA-N 1 2 235.287 1.409 20 0 BDADLO C1=CCC(C[N@H+]2CCOC[C@@H]2c2ncno2)C1 ZINC000625414955 343606003 /nfs/dbraw/zinc/60/60/03/343606003.db2.gz PEOLAQBOFANUGY-LLVKDONJSA-N 1 2 235.287 1.409 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1cccc(F)c1 ZINC000622745268 343606237 /nfs/dbraw/zinc/60/62/37/343606237.db2.gz FQAYYNDCORKCKC-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1cccc(F)c1 ZINC000622745268 343606240 /nfs/dbraw/zinc/60/62/40/343606240.db2.gz FQAYYNDCORKCKC-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO CCn1cc[nH+]c1CN[C@H](C)C(F)(F)F ZINC000379968006 365782457 /nfs/dbraw/zinc/78/24/57/365782457.db2.gz ZVAYVRPAODCOIW-SSDOTTSWSA-N 1 2 221.226 1.943 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1c[nH]nc1C ZINC000602943844 349825283 /nfs/dbraw/zinc/82/52/83/349825283.db2.gz SFEMHWQIWBPJDQ-NSHDSACASA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1c[nH]nc1C ZINC000602943844 349825288 /nfs/dbraw/zinc/82/52/88/349825288.db2.gz SFEMHWQIWBPJDQ-NSHDSACASA-N 1 2 237.303 1.102 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+]1CCn2nncc2C1 ZINC000574888444 343631572 /nfs/dbraw/zinc/63/15/72/343631572.db2.gz XOQDJHUKUPLSMM-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+]1CCn2nncc2C1 ZINC000574888444 343631575 /nfs/dbraw/zinc/63/15/75/343631575.db2.gz XOQDJHUKUPLSMM-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO CCc1cc(NC[C@@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000077228687 343672504 /nfs/dbraw/zinc/67/25/04/343672504.db2.gz LQKKMHZWYYWUAG-VHSXEESVSA-N 1 2 223.320 1.858 20 0 BDADLO O=S1(=O)CCC[C@@H]1CNc1cccc[nH+]1 ZINC000087972003 343678216 /nfs/dbraw/zinc/67/82/16/343678216.db2.gz ZQOFWJFUJBXTRU-SECBINFHSA-N 1 2 226.301 1.071 20 0 BDADLO CCn1ccc(C(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC000516652114 259367715 /nfs/dbraw/zinc/36/77/15/259367715.db2.gz SDARQTYSIAJGFK-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO CC(C)(C)[C@H](O)C[C@H](CO)Nc1cccc[nH+]1 ZINC000286271726 187345334 /nfs/dbraw/zinc/34/53/34/187345334.db2.gz BZAKZPKLOVBTQW-GHMZBOCLSA-N 1 2 238.331 1.652 20 0 BDADLO CC[C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000570304719 323055857 /nfs/dbraw/zinc/05/58/57/323055857.db2.gz COTDXRNDMUWRIA-MNOVXSKESA-N 1 2 237.347 1.904 20 0 BDADLO COCCCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077213169 343670928 /nfs/dbraw/zinc/67/09/28/343670928.db2.gz BFFUPPRBARMSCW-UHFFFAOYSA-N 1 2 247.302 1.135 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(Cl)s1 ZINC000083971129 343691884 /nfs/dbraw/zinc/69/18/84/343691884.db2.gz OTXDOVJYJNKWOA-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1cccnc1 ZINC000602984521 349836061 /nfs/dbraw/zinc/83/60/61/349836061.db2.gz PUJPYOUKPMWOAT-UHFFFAOYSA-N 1 2 246.310 1.752 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1cccnc1 ZINC000602984521 349836063 /nfs/dbraw/zinc/83/60/63/349836063.db2.gz PUJPYOUKPMWOAT-UHFFFAOYSA-N 1 2 246.310 1.752 20 0 BDADLO c1nc(C[NH+]2CCSCC2)cs1 ZINC000059386007 343709037 /nfs/dbraw/zinc/70/90/37/343709037.db2.gz JEYXOFRJDDPXLH-UHFFFAOYSA-N 1 2 200.332 1.692 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(CO)CCC1 ZINC000287405262 187346465 /nfs/dbraw/zinc/34/64/65/187346465.db2.gz DUDSWHKUOKRTJA-UHFFFAOYSA-N 1 2 249.314 1.735 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCS[C@H]1C)C1CC1 ZINC000380176605 343686837 /nfs/dbraw/zinc/68/68/37/343686837.db2.gz KASLNEKXVLPFAA-UJNFCWOMSA-N 1 2 229.345 1.422 20 0 BDADLO COCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000421574568 192364179 /nfs/dbraw/zinc/36/41/79/192364179.db2.gz GPVZXTJTUXGIFI-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO Cc1cc(CN2CCc3[nH+]c[nH]c3C2)nc(C)n1 ZINC000625434317 343735272 /nfs/dbraw/zinc/73/52/72/343735272.db2.gz OLMPFNULFJGUNY-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CCc1ccc(CN2CCc3[nH+]c[nH]c3C2)nc1 ZINC000625434670 343735525 /nfs/dbraw/zinc/73/55/25/343735525.db2.gz DLEGKGCWSBOGGR-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO c1nc2c([nH]1)C[N@H+](CCOCC1CCC1)CC2 ZINC000625434851 343735612 /nfs/dbraw/zinc/73/56/12/343735612.db2.gz INAPKAYAAZRVBG-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO c1nc2c([nH]1)C[N@@H+](CCOCC1CCC1)CC2 ZINC000625434851 343735616 /nfs/dbraw/zinc/73/56/16/343735616.db2.gz INAPKAYAAZRVBG-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO Cc1nc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)no1 ZINC000625434979 343735753 /nfs/dbraw/zinc/73/57/53/343735753.db2.gz BYFSTDUYFNGHKX-SSDOTTSWSA-N 1 2 233.275 1.220 20 0 BDADLO COC(=O)CN(C)Cc1c[nH+]cn1C(C)C ZINC000090237091 343750576 /nfs/dbraw/zinc/75/05/76/343750576.db2.gz KCQMHUJFHFAFIW-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](C)[C@](C)(CO)C1 ZINC000624410482 343763618 /nfs/dbraw/zinc/76/36/18/343763618.db2.gz VTVDOJOZHUJJCI-GWCFXTLKSA-N 1 2 236.315 1.545 20 0 BDADLO CN(CC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902901 529859626 /nfs/dbraw/zinc/85/96/26/529859626.db2.gz SBXBFFNJNITCKA-PLNGDYQASA-N 1 2 205.261 1.291 20 0 BDADLO Nc1cc(N2CCC(C(F)(F)F)CC2)[nH+]cn1 ZINC000156520595 343791492 /nfs/dbraw/zinc/79/14/92/343791492.db2.gz KDECTWBZXBPJGC-UHFFFAOYSA-N 1 2 246.236 1.838 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCOC1 ZINC000627369913 346978666 /nfs/dbraw/zinc/97/86/66/346978666.db2.gz HNTVEDYXOAJYBG-ZDUSSCGKSA-N 1 2 249.314 1.111 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCOC1 ZINC000627369913 346978667 /nfs/dbraw/zinc/97/86/67/346978667.db2.gz HNTVEDYXOAJYBG-ZDUSSCGKSA-N 1 2 249.314 1.111 20 0 BDADLO CN(CCC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808143 529873957 /nfs/dbraw/zinc/87/39/57/529873957.db2.gz CHVNUZZSEVUVKB-NSCUHMNNSA-N 1 2 247.220 1.834 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ns1 ZINC000683889556 488237426 /nfs/dbraw/zinc/23/74/26/488237426.db2.gz KCMNSOQRWRARJV-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)ns1 ZINC000683889556 488237429 /nfs/dbraw/zinc/23/74/29/488237429.db2.gz KCMNSOQRWRARJV-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC1(C)C[C@H]1[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000294580691 187351575 /nfs/dbraw/zinc/35/15/75/187351575.db2.gz CJQYMOQCXCXDEH-GHMZBOCLSA-N 1 2 243.314 1.677 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2oc(C)nc2C)CCO1 ZINC000683897802 488239222 /nfs/dbraw/zinc/23/92/22/488239222.db2.gz CGPXBICUTSDUJY-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2oc(C)nc2C)CCO1 ZINC000683897802 488239225 /nfs/dbraw/zinc/23/92/25/488239225.db2.gz CGPXBICUTSDUJY-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155598 488242688 /nfs/dbraw/zinc/24/26/88/488242688.db2.gz CKIGWOXNXIZNAW-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO COc1cncc(C[NH2+][C@@H](C)c2ccn(C)n2)n1 ZINC000625467600 343872357 /nfs/dbraw/zinc/87/23/57/343872357.db2.gz GQFXQZLZXPIRIX-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CC(=O)CCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000299205222 187353991 /nfs/dbraw/zinc/35/39/91/187353991.db2.gz BSBIXNQXBRCUCI-UHFFFAOYSA-N 1 2 249.314 1.133 20 0 BDADLO C[C@H](CO)C[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000447552381 201724774 /nfs/dbraw/zinc/72/47/74/201724774.db2.gz TXCNLMHKIZQGML-CMPLNLGQSA-N 1 2 246.314 1.112 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000299102213 187354131 /nfs/dbraw/zinc/35/41/31/187354131.db2.gz XYXYTZVSBVHNTE-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO CC(C)C(=O)NCCNc1cccc[nH+]1 ZINC000067948815 343908825 /nfs/dbraw/zinc/90/88/25/343908825.db2.gz PTYWRDHXVWKYQA-UHFFFAOYSA-N 1 2 207.277 1.266 20 0 BDADLO OCC1([NH2+]CC(F)F)Cc2ccccc2C1 ZINC000393803168 343963576 /nfs/dbraw/zinc/96/35/76/343963576.db2.gz ONDPTAPDCDLZBF-UHFFFAOYSA-N 1 2 227.254 1.371 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]1C)CC2 ZINC000641248562 362322762 /nfs/dbraw/zinc/32/27/62/362322762.db2.gz XUWWHUMWXGCNMV-GHMZBOCLSA-N 1 2 233.315 1.375 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000141946898 344065244 /nfs/dbraw/zinc/06/52/44/344065244.db2.gz DMHPBBIMNOOUBI-KNVOCYPGSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000141946898 344065248 /nfs/dbraw/zinc/06/52/48/344065248.db2.gz DMHPBBIMNOOUBI-KNVOCYPGSA-N 1 2 224.226 1.100 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000093417701 187286651 /nfs/dbraw/zinc/28/66/51/187286651.db2.gz LUAQHLSJLMEYKL-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000093417701 187286652 /nfs/dbraw/zinc/28/66/52/187286652.db2.gz LUAQHLSJLMEYKL-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cncnc1NCc1ccc(N(C)C)[nH+]c1 ZINC000641283810 362343531 /nfs/dbraw/zinc/34/35/31/362343531.db2.gz CERCAKYZPVFCHG-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1ncnn1C(C)C ZINC000683995450 488253942 /nfs/dbraw/zinc/25/39/42/488253942.db2.gz QGRUKGICPBPMKS-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC2(C)COC2)[nH]1 ZINC000625790159 344077142 /nfs/dbraw/zinc/07/71/42/344077142.db2.gz BIAOPZUZOCWWLR-UHFFFAOYSA-N 1 2 238.335 1.396 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC2(C)COC2)[nH]1 ZINC000625790159 344077146 /nfs/dbraw/zinc/07/71/46/344077146.db2.gz BIAOPZUZOCWWLR-UHFFFAOYSA-N 1 2 238.335 1.396 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CC1(C)COC1 ZINC000625790069 344077616 /nfs/dbraw/zinc/07/76/16/344077616.db2.gz BCMYQQSVGUNYIN-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CC1(C)COC1 ZINC000625790069 344077618 /nfs/dbraw/zinc/07/76/18/344077618.db2.gz BCMYQQSVGUNYIN-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CC(C)COC[C@@H](O)CNc1cc[nH+]cc1F ZINC000641299921 362350733 /nfs/dbraw/zinc/35/07/33/362350733.db2.gz YATXJSYQOHWANE-JTQLQIEISA-N 1 2 242.294 1.088 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cccnc1C ZINC000624597126 344085003 /nfs/dbraw/zinc/08/50/03/344085003.db2.gz WDNFXWRLQJANCM-UHFFFAOYSA-N 1 2 244.298 1.531 20 0 BDADLO CCCn1ncnc1C[NH+](C1CC1)C1CC1 ZINC000625840903 344091862 /nfs/dbraw/zinc/09/18/62/344091862.db2.gz GADGTICYSSUAIJ-UHFFFAOYSA-N 1 2 220.320 1.815 20 0 BDADLO COCc1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625842374 344093908 /nfs/dbraw/zinc/09/39/08/344093908.db2.gz IMNMFTQYKIAOQA-UHFFFAOYSA-N 1 2 223.276 1.343 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1 ZINC000078337880 344096168 /nfs/dbraw/zinc/09/61/68/344096168.db2.gz KMIDPUVRRADGSC-NSHDSACASA-N 1 2 237.299 1.559 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1 ZINC000078337880 344096169 /nfs/dbraw/zinc/09/61/69/344096169.db2.gz KMIDPUVRRADGSC-NSHDSACASA-N 1 2 237.299 1.559 20 0 BDADLO Cc1nc(N2C[C@@H]3[C@H](C2)C3(C)C)cc[nH+]1 ZINC000078411799 344096919 /nfs/dbraw/zinc/09/69/19/344096919.db2.gz YIWDZHWHGAWLIJ-AOOOYVTPSA-N 1 2 203.289 1.877 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000683995518 488254219 /nfs/dbraw/zinc/25/42/19/488254219.db2.gz UQKAHCIDYGNZKM-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C)C2)[nH+]c1C ZINC000628126874 344156314 /nfs/dbraw/zinc/15/63/14/344156314.db2.gz LBXUMDLXFUHJDE-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000628129851 344158300 /nfs/dbraw/zinc/15/83/00/344158300.db2.gz XOBVYFIBCUBLST-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000628129851 344158302 /nfs/dbraw/zinc/15/83/02/344158302.db2.gz XOBVYFIBCUBLST-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]c(CN2CCSCC2)[nH+]c1C ZINC000628129862 344158586 /nfs/dbraw/zinc/15/85/86/344158586.db2.gz YPHGYAKZDANOMY-UHFFFAOYSA-N 1 2 211.334 1.575 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C)c(C)[nH]1 ZINC000628130236 344159857 /nfs/dbraw/zinc/15/98/57/344159857.db2.gz POVMKOMIDJTMIN-UHFFFAOYSA-N 1 2 211.309 1.495 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C)c(C)[nH]1 ZINC000628130236 344159860 /nfs/dbraw/zinc/15/98/60/344159860.db2.gz POVMKOMIDJTMIN-UHFFFAOYSA-N 1 2 211.309 1.495 20 0 BDADLO CCN(CCOC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628130236 344159861 /nfs/dbraw/zinc/15/98/61/344159861.db2.gz POVMKOMIDJTMIN-UHFFFAOYSA-N 1 2 211.309 1.495 20 0 BDADLO COc1ccccc1C[NH2+]Cc1ncnn1C ZINC000088571954 344240663 /nfs/dbraw/zinc/24/06/63/344240663.db2.gz IMTWKODPTOJUFQ-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO OCC[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641345399 362372572 /nfs/dbraw/zinc/37/25/72/362372572.db2.gz CNOLOERISDZRGD-SNVBAGLBSA-N 1 2 224.279 1.820 20 0 BDADLO CCc1nn(C)cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000091199699 344278552 /nfs/dbraw/zinc/27/85/52/344278552.db2.gz NEEQVUPBLVYBKA-UHFFFAOYSA-N 1 2 248.290 1.027 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)OC ZINC000622082891 344290047 /nfs/dbraw/zinc/29/00/47/344290047.db2.gz UITFQKHWIHYSJG-IUCAKERBSA-N 1 2 225.292 1.115 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000620592289 344325345 /nfs/dbraw/zinc/32/53/45/344325345.db2.gz OEYALYQYAXYHAY-HRDYMLBCSA-N 1 2 207.277 1.253 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000600613887 344336584 /nfs/dbraw/zinc/33/65/84/344336584.db2.gz KHBAQDHMWIXYJN-QJPTWQEYSA-N 1 2 239.315 1.095 20 0 BDADLO CCC(CC)[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641372458 362381148 /nfs/dbraw/zinc/38/11/48/362381148.db2.gz ZDTCONYAOHZZHM-LBPRGKRZSA-N 1 2 238.331 1.783 20 0 BDADLO CC[C@@H](COC)Nc1cc(CO)cc[nH+]1 ZINC000641387438 362387135 /nfs/dbraw/zinc/38/71/35/362387135.db2.gz RDMOYZMYTGOTTA-JTQLQIEISA-N 1 2 210.277 1.411 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1nc(C)no1 ZINC000631429183 344392557 /nfs/dbraw/zinc/39/25/57/344392557.db2.gz QBUVLKUCRAQSHQ-ZETCQYMHSA-N 1 2 249.274 1.085 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCC1CC1 ZINC000605482639 344404191 /nfs/dbraw/zinc/40/41/91/344404191.db2.gz UNWVWRMCTRHGKJ-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cn1cc(C[NH2+]Cc2cscn2)cn1 ZINC000041054797 344416478 /nfs/dbraw/zinc/41/64/78/344416478.db2.gz LPSDVNVWDPGHIK-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)[C@@H]1CCOC1 ZINC000641399051 362393712 /nfs/dbraw/zinc/39/37/12/362393712.db2.gz YCYOKLMGXRQPCC-RKDXNWHRSA-N 1 2 210.252 1.480 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037087390 344487696 /nfs/dbraw/zinc/48/76/96/344487696.db2.gz PWIZAYRSRGIOPU-GFCCVEGCSA-N 1 2 245.330 1.619 20 0 BDADLO CC(C)[C@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641400434 362394498 /nfs/dbraw/zinc/39/44/98/362394498.db2.gz NXJRUNQEHDZYED-NSHDSACASA-N 1 2 224.304 1.393 20 0 BDADLO Cc1cc(N2CC[C@H]3OCCC[C@@H]3C2)nc[nH+]1 ZINC000152335411 344520135 /nfs/dbraw/zinc/52/01/35/344520135.db2.gz NEFPFKATNIUOSO-VXGBXAGGSA-N 1 2 233.315 1.790 20 0 BDADLO CC[C@H](CSC)Nc1nc(C)[nH+]c(N)n1 ZINC000389383544 344534822 /nfs/dbraw/zinc/53/48/22/344534822.db2.gz RIMCHSOCOAHQDS-SSDOTTSWSA-N 1 2 227.337 1.146 20 0 BDADLO CC[C@H](CSC)Nc1nc(N)nc(C)[nH+]1 ZINC000389383544 344534823 /nfs/dbraw/zinc/53/48/23/344534823.db2.gz RIMCHSOCOAHQDS-SSDOTTSWSA-N 1 2 227.337 1.146 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000368093914 344549131 /nfs/dbraw/zinc/54/91/31/344549131.db2.gz NCDJNNKWBOPEPG-NQBHXWOUSA-N 1 2 246.310 1.566 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]1C)CC2 ZINC000625915626 344563003 /nfs/dbraw/zinc/56/30/03/344563003.db2.gz VJGMWRFFDZXKAW-NEPJUHHUSA-N 1 2 247.342 1.765 20 0 BDADLO COC(=O)C[C@H]1CCCN1c1cc[nH+]cc1F ZINC000603319782 349913870 /nfs/dbraw/zinc/91/38/70/349913870.db2.gz OMDDXNQVAYZSST-SECBINFHSA-N 1 2 238.262 1.753 20 0 BDADLO OCc1cc[nH+]c(NCc2noc(C3CC3)n2)c1 ZINC000641467711 362441315 /nfs/dbraw/zinc/44/13/15/362441315.db2.gz GGTXHMBSMXXGTP-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO C[C@@]1(CNc2cc[nH+]cc2F)CCCO1 ZINC000641427796 362411961 /nfs/dbraw/zinc/41/19/61/362411961.db2.gz CMHKQYDHDLAVTE-NSHDSACASA-N 1 2 210.252 1.624 20 0 BDADLO C[C@@H](C[C@H]1CCOC1)Nc1cc(CO)cc[nH+]1 ZINC000641436152 362417285 /nfs/dbraw/zinc/41/72/85/362417285.db2.gz PWDSENRDLRHCQQ-CMPLNLGQSA-N 1 2 236.315 1.801 20 0 BDADLO COC1(CNc2cc(CO)cc[nH+]2)CCC1 ZINC000641484834 362452544 /nfs/dbraw/zinc/45/25/44/362452544.db2.gz YYAAGWILJOQVTJ-UHFFFAOYSA-N 1 2 222.288 1.555 20 0 BDADLO Fc1c[nH+]ccc1N1CCO[C@@]2(CCOC2)C1 ZINC000641496567 362461404 /nfs/dbraw/zinc/46/14/04/362461404.db2.gz PBXPJHONQGFRAO-LBPRGKRZSA-N 1 2 238.262 1.216 20 0 BDADLO c1cn(-c2ncnc3c2CCCC3)c[nH+]1 ZINC000094873178 537853365 /nfs/dbraw/zinc/85/33/65/537853365.db2.gz VKFXTYXNUTXLRL-UHFFFAOYSA-N 1 2 200.245 1.541 20 0 BDADLO CN(c1cc[nH+]cc1F)[C@H]1CC[C@H](O)CC1 ZINC000641523837 362474257 /nfs/dbraw/zinc/47/42/57/362474257.db2.gz YRGSMIQFOHTFBN-MGCOHNPYSA-N 1 2 224.279 1.960 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000626001974 344662284 /nfs/dbraw/zinc/66/22/84/344662284.db2.gz CIIKPAVCGMKLKW-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000626001974 344662285 /nfs/dbraw/zinc/66/22/85/344662285.db2.gz CIIKPAVCGMKLKW-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005883 344664501 /nfs/dbraw/zinc/66/45/01/344664501.db2.gz MFHDLMVECDSDDF-NSHDSACASA-N 1 2 242.294 1.797 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005883 344664502 /nfs/dbraw/zinc/66/45/02/344664502.db2.gz MFHDLMVECDSDDF-NSHDSACASA-N 1 2 242.294 1.797 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018952 344674986 /nfs/dbraw/zinc/67/49/86/344674986.db2.gz DYTQJTXVHWCUKP-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018952 344674988 /nfs/dbraw/zinc/67/49/88/344674988.db2.gz DYTQJTXVHWCUKP-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)C12CC(C1)C2 ZINC000626020144 344675513 /nfs/dbraw/zinc/67/55/13/344675513.db2.gz YZGFQJVVMHFZPF-UHFFFAOYSA-N 1 2 245.326 1.911 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021496 344676937 /nfs/dbraw/zinc/67/69/37/344676937.db2.gz DDVRPXQOBUSTEG-NSHDSACASA-N 1 2 234.299 1.275 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021496 344676940 /nfs/dbraw/zinc/67/69/40/344676940.db2.gz DDVRPXQOBUSTEG-NSHDSACASA-N 1 2 234.299 1.275 20 0 BDADLO COC(=O)C[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000050084929 344640061 /nfs/dbraw/zinc/64/00/61/344640061.db2.gz RTCNAIIJQFNGDL-LLVKDONJSA-N 1 2 249.314 1.707 20 0 BDADLO Cc1ccc(NC(=O)COCC(F)F)c(C)[nH+]1 ZINC000626060948 344707284 /nfs/dbraw/zinc/70/72/84/344707284.db2.gz RUTUYBMMDCPTTN-UHFFFAOYSA-N 1 2 244.241 1.919 20 0 BDADLO Cc1ncc(C(=O)NCCCCn2cc[nH+]c2)[nH]1 ZINC000082268252 344712894 /nfs/dbraw/zinc/71/28/94/344712894.db2.gz KNKJVFYLHAPIBI-UHFFFAOYSA-N 1 2 247.302 1.125 20 0 BDADLO CO[C@@H](CNc1cc[nH+]c(C)n1)C(C)C ZINC000075062665 344764215 /nfs/dbraw/zinc/76/42/15/344764215.db2.gz RTLQRLKFPZMKIY-JTQLQIEISA-N 1 2 209.293 1.868 20 0 BDADLO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000075782794 344791682 /nfs/dbraw/zinc/79/16/82/344791682.db2.gz CUZUXXPYSWFTMS-BDAKNGLRSA-N 1 2 239.319 1.711 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000075782794 344791684 /nfs/dbraw/zinc/79/16/84/344791684.db2.gz CUZUXXPYSWFTMS-BDAKNGLRSA-N 1 2 239.319 1.711 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1c[nH]cn1 ZINC000076587624 344804479 /nfs/dbraw/zinc/80/44/79/344804479.db2.gz MCNWVJFJZSLXFO-UHFFFAOYSA-N 1 2 218.216 1.066 20 0 BDADLO CC(C)[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291544729 537863456 /nfs/dbraw/zinc/86/34/56/537863456.db2.gz YBJFUOZBLVLIGF-VIFPVBQESA-N 1 2 209.293 1.328 20 0 BDADLO CCO[C@@H](C)c1nc(C[N@H+](C)CCO)cs1 ZINC000076720014 344808851 /nfs/dbraw/zinc/80/88/51/344808851.db2.gz GEWZRADTPLAYIE-VIFPVBQESA-N 1 2 244.360 1.665 20 0 BDADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCO)cs1 ZINC000076720014 344808853 /nfs/dbraw/zinc/80/88/53/344808853.db2.gz GEWZRADTPLAYIE-VIFPVBQESA-N 1 2 244.360 1.665 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628143545 344809593 /nfs/dbraw/zinc/80/95/93/344809593.db2.gz RCVLXQJZQBJCJN-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628143545 344809594 /nfs/dbraw/zinc/80/95/94/344809594.db2.gz RCVLXQJZQBJCJN-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000077280595 344815149 /nfs/dbraw/zinc/81/51/49/344815149.db2.gz YZISFINHGSYREC-QMMMGPOBSA-N 1 2 238.253 1.395 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000077280595 344815151 /nfs/dbraw/zinc/81/51/51/344815151.db2.gz YZISFINHGSYREC-QMMMGPOBSA-N 1 2 238.253 1.395 20 0 BDADLO COC1CC(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000628149233 344836361 /nfs/dbraw/zinc/83/63/61/344836361.db2.gz QSHBCDDRPHOGAK-IDKOKCKLSA-N 1 2 237.303 1.022 20 0 BDADLO Cc1[nH]c(CN2CCOCC2(C)C)[nH+]c1C ZINC000628152459 344841191 /nfs/dbraw/zinc/84/11/91/344841191.db2.gz BTAWXVCHYIAEDL-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(NCC(C)(C)C[C@H](C)O)cc[nH+]1 ZINC000078339729 344850103 /nfs/dbraw/zinc/85/01/03/344850103.db2.gz VCXCRMNATMPMDY-VIFPVBQESA-N 1 2 223.320 1.994 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000628153171 344843349 /nfs/dbraw/zinc/84/33/49/344843349.db2.gz DBYFXSSRBXLILS-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000628153171 344843350 /nfs/dbraw/zinc/84/33/50/344843350.db2.gz DBYFXSSRBXLILS-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CCC1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000153402212 344869058 /nfs/dbraw/zinc/86/90/58/344869058.db2.gz RXSWZQZIIAFIND-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C ZINC000583389092 344874446 /nfs/dbraw/zinc/87/44/46/344874446.db2.gz ALMQQYXJWRYCJP-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C ZINC000583389092 344874448 /nfs/dbraw/zinc/87/44/48/344874448.db2.gz ALMQQYXJWRYCJP-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO Cc1nc(NC[C@H](C)C(=O)OC(C)C)cc[nH+]1 ZINC000078511134 344879860 /nfs/dbraw/zinc/87/98/60/344879860.db2.gz DODXRVZQTIEHKR-VIFPVBQESA-N 1 2 237.303 1.785 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@H]2CC(C)C)[nH+]1 ZINC000628172555 344892621 /nfs/dbraw/zinc/89/26/21/344892621.db2.gz LXWKLJJOBNLSHV-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)on1 ZINC000153504793 344892631 /nfs/dbraw/zinc/89/26/31/344892631.db2.gz NFMZDQRJTVYRNJ-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCSC[C@H]2C)n1 ZINC000628175358 344897912 /nfs/dbraw/zinc/89/79/12/344897912.db2.gz USAYEPJEECLYIG-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000628175358 344897914 /nfs/dbraw/zinc/89/79/14/344897914.db2.gz USAYEPJEECLYIG-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425165866 192080161 /nfs/dbraw/zinc/08/01/61/192080161.db2.gz XZDAQZINAZNWLQ-JGPRNRPPSA-N 1 2 233.315 1.267 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@@H]1CF ZINC000578993560 344929810 /nfs/dbraw/zinc/92/98/10/344929810.db2.gz XBRVJFXERKACLI-MRVPVSSYSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@@H]1CF ZINC000578993560 344929813 /nfs/dbraw/zinc/92/98/13/344929813.db2.gz XBRVJFXERKACLI-MRVPVSSYSA-N 1 2 215.297 1.780 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)CC(C)(C)O1 ZINC000583426532 344945266 /nfs/dbraw/zinc/94/52/66/344945266.db2.gz UIKSBIBZBYMUPK-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)CC(C)(C)O1 ZINC000583426532 344945269 /nfs/dbraw/zinc/94/52/69/344945269.db2.gz UIKSBIBZBYMUPK-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(F)(F)F ZINC000079577651 344992826 /nfs/dbraw/zinc/99/28/26/344992826.db2.gz XJGUNHAVXXSFDA-MRVPVSSYSA-N 1 2 249.236 1.730 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2cccc(O)c2)C1 ZINC000583449659 344995780 /nfs/dbraw/zinc/99/57/80/344995780.db2.gz RSOPMYOFFOSUKB-UHFFFAOYSA-N 1 2 234.299 1.673 20 0 BDADLO OCc1cc[nH+]c(N2CCC3(CCO3)CC2)c1 ZINC000641553428 362497639 /nfs/dbraw/zinc/49/76/39/362497639.db2.gz ADGOPXBJTSYXSA-UHFFFAOYSA-N 1 2 234.299 1.333 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](C)OC[C@H]1C ZINC000249863879 362504417 /nfs/dbraw/zinc/50/44/17/362504417.db2.gz GZULAFXKKGNMKF-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCc1nnc(SCc2c[nH+]cn2C)o1 ZINC000641560712 362500072 /nfs/dbraw/zinc/50/00/72/362500072.db2.gz FPVYUIBIRUFCTB-UHFFFAOYSA-N 1 2 224.289 1.658 20 0 BDADLO Cc1cc(CNc2cc(CO)cc[nH+]2)n(C)n1 ZINC000641559380 362504558 /nfs/dbraw/zinc/50/45/58/362504558.db2.gz IDIGKLHQOWCEQP-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nnc(C2CC2)o1 ZINC000570952785 323082720 /nfs/dbraw/zinc/08/27/20/323082720.db2.gz VZTFAIYKQKUIBO-UHFFFAOYSA-N 1 2 219.248 1.307 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(C)(F)C1 ZINC000684252819 488281846 /nfs/dbraw/zinc/28/18/46/488281846.db2.gz UOWARXWDXOAUTG-SECBINFHSA-N 1 2 240.282 1.025 20 0 BDADLO Fc1c[nH+]ccc1NCc1nnc(C2CC2)[nH]1 ZINC000641615848 362548319 /nfs/dbraw/zinc/54/83/19/362548319.db2.gz ROUYPFUHKYZGJG-UHFFFAOYSA-N 1 2 233.250 1.250 20 0 BDADLO CC(C)c1nnc(CNc2cc[nH+]cc2F)[nH]1 ZINC000641616274 362550013 /nfs/dbraw/zinc/55/00/13/362550013.db2.gz ZGRGHKMFXQDCLW-UHFFFAOYSA-N 1 2 235.266 1.496 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCC(F)(F)F ZINC000080006186 345078344 /nfs/dbraw/zinc/07/83/44/345078344.db2.gz BWJKAUNFELAONC-UHFFFAOYSA-N 1 2 235.209 1.379 20 0 BDADLO Cc1cccc(CCCNc2ncncc2C)[nH+]1 ZINC000641590468 362532162 /nfs/dbraw/zinc/53/21/62/362532162.db2.gz NIKYIBLKKOSLKN-UHFFFAOYSA-N 1 2 242.326 1.955 20 0 BDADLO OCc1cc[nH+]c(NCCCC2(O)CCC2)c1 ZINC000641641412 362571471 /nfs/dbraw/zinc/57/14/71/362571471.db2.gz WWXUNBZWEWMARH-UHFFFAOYSA-N 1 2 236.315 1.103 20 0 BDADLO Cc1nsc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000641649399 362576111 /nfs/dbraw/zinc/57/61/11/362576111.db2.gz ZFBQCAQAUQTRQJ-IUCAKERBSA-N 1 2 240.376 1.409 20 0 BDADLO OCc1cc[nH+]c(N[C@@H](CO)C2CCC2)c1 ZINC000641656074 362579958 /nfs/dbraw/zinc/57/99/58/362579958.db2.gz BIKFYJSRQMBMBU-NSHDSACASA-N 1 2 222.288 1.147 20 0 BDADLO CCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155815270 345106845 /nfs/dbraw/zinc/10/68/45/345106845.db2.gz LUKQVKRAMCWGLB-SNVBAGLBSA-N 1 2 221.304 1.362 20 0 BDADLO O[C@@H](CNc1cc[nH+]cc1F)C1CCC1 ZINC000641624705 362556888 /nfs/dbraw/zinc/55/68/88/362556888.db2.gz YZYHXGDELITUAW-NSHDSACASA-N 1 2 210.252 1.216 20 0 BDADLO OCCC[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641624787 362557119 /nfs/dbraw/zinc/55/71/19/362557119.db2.gz KFUKWARNOXCMNE-NSHDSACASA-N 1 2 236.315 1.173 20 0 BDADLO COC[C@@]1(CO)CCN(c2cc[nH+]cc2F)C1 ZINC000641624965 362557714 /nfs/dbraw/zinc/55/77/14/362557714.db2.gz QODUMRCRFNAODR-LBPRGKRZSA-N 1 2 240.278 1.056 20 0 BDADLO CCC1(CNc2cc[nH+]cc2F)COC1 ZINC000641630062 362560339 /nfs/dbraw/zinc/56/03/39/362560339.db2.gz QQBMHSXYKPDCKZ-UHFFFAOYSA-N 1 2 210.252 1.481 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1ccn(C)n1 ZINC000641630180 362560840 /nfs/dbraw/zinc/56/08/40/362560840.db2.gz RZGVZGCPVCIXTO-SECBINFHSA-N 1 2 232.287 1.481 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1csnn1 ZINC000641635245 362564535 /nfs/dbraw/zinc/56/45/35/362564535.db2.gz AFBBVNHSVKRZAB-ZETCQYMHSA-N 1 2 236.300 1.599 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3F)C[C@@H]2C1 ZINC000641635752 362565026 /nfs/dbraw/zinc/56/50/26/362565026.db2.gz MNSFNSWPKLGAPI-OUAUKWLOSA-N 1 2 236.290 1.818 20 0 BDADLO CC1(C)CN(c2cc[nH+]cc2F)C[C@H](CO)O1 ZINC000641640012 362566052 /nfs/dbraw/zinc/56/60/52/362566052.db2.gz LEZMVAFTLDHFKA-SECBINFHSA-N 1 2 240.278 1.197 20 0 BDADLO COc1nc(C)cc(C)c1C[NH2+]Cc1ccon1 ZINC000634959228 345133137 /nfs/dbraw/zinc/13/31/37/345133137.db2.gz LGIXXBBGJRCRCL-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO OCc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000634959969 345133560 /nfs/dbraw/zinc/13/35/60/345133560.db2.gz GSCVFLCRQFRPAD-UHFFFAOYSA-N 1 2 218.256 1.457 20 0 BDADLO Cc1ccoc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154850669 187301072 /nfs/dbraw/zinc/30/10/72/187301072.db2.gz LKSQLBSJJBVITG-UHFFFAOYSA-N 1 2 247.298 1.947 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CCCCC2)[nH+]1 ZINC000635060409 345230107 /nfs/dbraw/zinc/23/01/07/345230107.db2.gz XDQPSDOIAWKBHO-UHFFFAOYSA-N 1 2 235.331 1.964 20 0 BDADLO C[N@H+](CCCn1cc[nH+]c1)[C@H](C(=O)[O-])C1CC1 ZINC000635015718 345219818 /nfs/dbraw/zinc/21/98/18/345219818.db2.gz HLGRDDNIJQMZHV-NSHDSACASA-N 1 2 237.303 1.068 20 0 BDADLO C[N@@H+](CCCn1cc[nH+]c1)[C@H](C(=O)[O-])C1CC1 ZINC000635015718 345219821 /nfs/dbraw/zinc/21/98/21/345219821.db2.gz HLGRDDNIJQMZHV-NSHDSACASA-N 1 2 237.303 1.068 20 0 BDADLO CCC[C@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635189643 345267239 /nfs/dbraw/zinc/26/72/39/345267239.db2.gz VCJSLCHRJBQXJM-VIFPVBQESA-N 1 2 223.320 1.819 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC(F)(F)F)[nH+]1 ZINC000635205583 345272039 /nfs/dbraw/zinc/27/20/39/345272039.db2.gz XHCDYWJJFXBTGF-UHFFFAOYSA-N 1 2 235.209 1.193 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CO[C@@H](C)C1 ZINC000565313581 323085772 /nfs/dbraw/zinc/08/57/72/323085772.db2.gz LXBOHPKJXFVHTB-WCBMZHEXSA-N 1 2 207.277 1.683 20 0 BDADLO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635405968 345348307 /nfs/dbraw/zinc/34/83/07/345348307.db2.gz MLFNPBRQFCJFKR-GHMZBOCLSA-N 1 2 245.282 1.765 20 0 BDADLO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635405968 345348309 /nfs/dbraw/zinc/34/83/09/345348309.db2.gz MLFNPBRQFCJFKR-GHMZBOCLSA-N 1 2 245.282 1.765 20 0 BDADLO COCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635430753 345363242 /nfs/dbraw/zinc/36/32/42/345363242.db2.gz DVNQEUCECNOKGN-NXEZZACHSA-N 1 2 237.303 1.008 20 0 BDADLO COCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635430753 345363244 /nfs/dbraw/zinc/36/32/44/345363244.db2.gz DVNQEUCECNOKGN-NXEZZACHSA-N 1 2 237.303 1.008 20 0 BDADLO CC1(C)CN(c2cccc[nH+]2)C[C@H](CO)O1 ZINC000158715237 345369833 /nfs/dbraw/zinc/36/98/33/345369833.db2.gz QYJJXUSWYUJKCO-SNVBAGLBSA-N 1 2 222.288 1.058 20 0 BDADLO CC1(C)C[N@H+](Cc2ccco2)C[C@@H](CO)O1 ZINC000158735403 345371489 /nfs/dbraw/zinc/37/14/89/345371489.db2.gz DRQDSHYNCLKKCA-NSHDSACASA-N 1 2 225.288 1.251 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccco2)C[C@@H](CO)O1 ZINC000158735403 345371490 /nfs/dbraw/zinc/37/14/90/345371490.db2.gz DRQDSHYNCLKKCA-NSHDSACASA-N 1 2 225.288 1.251 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000158869886 345383136 /nfs/dbraw/zinc/38/31/36/345383136.db2.gz WQTLGGXFGNINMN-SECBINFHSA-N 1 2 227.308 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000158869886 345383139 /nfs/dbraw/zinc/38/31/39/345383139.db2.gz WQTLGGXFGNINMN-SECBINFHSA-N 1 2 227.308 1.081 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1C[C@@H]1C ZINC000619433780 345384530 /nfs/dbraw/zinc/38/45/30/345384530.db2.gz WJCFHQFHPWHURP-XKNYDFJKSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1C[C@@H]1C ZINC000619433780 345384532 /nfs/dbraw/zinc/38/45/32/345384532.db2.gz WJCFHQFHPWHURP-XKNYDFJKSA-N 1 2 215.268 1.228 20 0 BDADLO Cc1nc(NC(=O)Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000635514050 345407454 /nfs/dbraw/zinc/40/74/54/345407454.db2.gz ZASPYFISXJXJII-UHFFFAOYSA-N 1 2 248.290 1.072 20 0 BDADLO Cc1nnc(NC(=O)Cn2cc[nH+]c2C(C)C)[nH]1 ZINC000635514050 345407456 /nfs/dbraw/zinc/40/74/56/345407456.db2.gz ZASPYFISXJXJII-UHFFFAOYSA-N 1 2 248.290 1.072 20 0 BDADLO Cc1ccc(CSCCc2nn[nH]n2)c(C)[nH+]1 ZINC000603337084 349927285 /nfs/dbraw/zinc/92/72/85/349927285.db2.gz AAMIAVJSLVUVOS-UHFFFAOYSA-N 1 2 249.343 1.687 20 0 BDADLO O[C@]1(C2CC2)CCCN(c2cc[nH+]cc2F)C1 ZINC000641658915 362583178 /nfs/dbraw/zinc/58/31/78/362583178.db2.gz HYFUNCZKLGLGKU-CYBMUJFWSA-N 1 2 236.290 1.962 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC000635482174 345391439 /nfs/dbraw/zinc/39/14/39/345391439.db2.gz HSKSPINKOWFWGP-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC000635482174 345391442 /nfs/dbraw/zinc/39/14/42/345391442.db2.gz HSKSPINKOWFWGP-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080918527 345451423 /nfs/dbraw/zinc/45/14/23/345451423.db2.gz BPDJVFBZCLLCSB-SECBINFHSA-N 1 2 223.272 1.386 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080918527 345451426 /nfs/dbraw/zinc/45/14/26/345451426.db2.gz BPDJVFBZCLLCSB-SECBINFHSA-N 1 2 223.272 1.386 20 0 BDADLO C[C@@](O)(C[N@@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000335570288 345398426 /nfs/dbraw/zinc/39/84/26/345398426.db2.gz HZVCQKJCQRNCOH-SECBINFHSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@](O)(C[N@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000335570288 345398430 /nfs/dbraw/zinc/39/84/30/345398430.db2.gz HZVCQKJCQRNCOH-SECBINFHSA-N 1 2 241.253 1.411 20 0 BDADLO CC(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000082275812 345500334 /nfs/dbraw/zinc/50/03/34/345500334.db2.gz CLBWQZLOFJJAOQ-SNVBAGLBSA-N 1 2 221.304 1.643 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@]1(C)CO ZINC000641667914 362588214 /nfs/dbraw/zinc/58/82/14/362588214.db2.gz AWWMKIWBQRBBQA-BXKDBHETSA-N 1 2 224.279 1.675 20 0 BDADLO COC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000641674744 362592092 /nfs/dbraw/zinc/59/20/92/362592092.db2.gz HFXNBSARLHWNPL-VIFPVBQESA-N 1 2 247.298 1.407 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)CCn1cc[nH+]c1 ZINC000080986917 345458445 /nfs/dbraw/zinc/45/84/45/345458445.db2.gz QHXAGGSOBZNXEV-UHFFFAOYSA-N 1 2 232.287 1.260 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)CCO)[nH+]1 ZINC000081006322 345460930 /nfs/dbraw/zinc/46/09/30/345460930.db2.gz JXPSWFJOJAGVGT-QMMMGPOBSA-N 1 2 234.303 1.697 20 0 BDADLO CC(=O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000173671778 187305691 /nfs/dbraw/zinc/30/56/91/187305691.db2.gz JOBLIYZCXRJJAA-UHFFFAOYSA-N 1 2 231.246 1.689 20 0 BDADLO CC(=O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000173671778 187305696 /nfs/dbraw/zinc/30/56/96/187305696.db2.gz JOBLIYZCXRJJAA-UHFFFAOYSA-N 1 2 231.246 1.689 20 0 BDADLO Cc1ncoc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000081583421 345480380 /nfs/dbraw/zinc/48/03/80/345480380.db2.gz CGYAJXXTNISSGN-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C=C1CCC1 ZINC000087296724 345541317 /nfs/dbraw/zinc/54/13/17/345541317.db2.gz YNYQWOIMANAPIP-UHFFFAOYSA-N 1 2 205.261 1.147 20 0 BDADLO C[C@@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000091013432 345580148 /nfs/dbraw/zinc/58/01/48/345580148.db2.gz STRUFYNUEIWQFZ-QMMMGPOBSA-N 1 2 222.292 1.091 20 0 BDADLO C[C@@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000091013432 345580150 /nfs/dbraw/zinc/58/01/50/345580150.db2.gz STRUFYNUEIWQFZ-QMMMGPOBSA-N 1 2 222.292 1.091 20 0 BDADLO Cn1cnnc1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000091428876 345592128 /nfs/dbraw/zinc/59/21/28/345592128.db2.gz WBIHLIYPYGXKHJ-LLVKDONJSA-N 1 2 243.314 1.594 20 0 BDADLO C[C@H]1CCC[C@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539259 345597338 /nfs/dbraw/zinc/59/73/38/345597338.db2.gz OAKRRPLPWNZBIC-IUCAKERBSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@H]1CCC[C@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539259 345597342 /nfs/dbraw/zinc/59/73/42/345597342.db2.gz OAKRRPLPWNZBIC-IUCAKERBSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](C)[S@@]1=O ZINC000603358415 349932591 /nfs/dbraw/zinc/93/25/91/349932591.db2.gz MWXOWMVDZDWPBR-PHSVNERMSA-N 1 2 242.319 1.566 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCO[C@H]1C ZINC000092346941 345631846 /nfs/dbraw/zinc/63/18/46/345631846.db2.gz CDNFRZMVCMWOBQ-DTWKUNHWSA-N 1 2 236.271 1.454 20 0 BDADLO COCc1cc(CNc2cccc[nH+]2)no1 ZINC000641709089 362616837 /nfs/dbraw/zinc/61/68/37/362616837.db2.gz FLZBPJVEBVGOHB-UHFFFAOYSA-N 1 2 219.244 1.828 20 0 BDADLO O[C@]12C[C@H]1CN(c1[nH+]ccc3ccc(F)cc31)C2 ZINC000641711077 362619664 /nfs/dbraw/zinc/61/96/64/362619664.db2.gz AIYFEGATIDOLQZ-HZMBPMFUSA-N 1 2 244.269 1.945 20 0 BDADLO CCc1cc(N(C)CCOCCOC)nc[nH+]1 ZINC000673505163 488291925 /nfs/dbraw/zinc/29/19/25/488291925.db2.gz OHCBNPLSXIRQGH-UHFFFAOYSA-N 1 2 239.319 1.138 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3c[nH]cn3)CC2)no1 ZINC000092787730 345643353 /nfs/dbraw/zinc/64/33/53/345643353.db2.gz BMOYEUUFGSNLTG-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3cnc[nH]3)CC2)no1 ZINC000092787730 345643356 /nfs/dbraw/zinc/64/33/56/345643356.db2.gz BMOYEUUFGSNLTG-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CO[C@@H](C[NH2+][C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000378840482 345667328 /nfs/dbraw/zinc/66/73/28/345667328.db2.gz XSZOKZQAPOZSEU-KOLCDFICSA-N 1 2 243.347 1.731 20 0 BDADLO CN(CC1(C)COC1)c1cc[nH+]cc1F ZINC000641677064 362598933 /nfs/dbraw/zinc/59/89/33/362598933.db2.gz CFLQUNXGKNXXOT-UHFFFAOYSA-N 1 2 210.252 1.693 20 0 BDADLO CCC[C@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641680410 362602125 /nfs/dbraw/zinc/60/21/25/362602125.db2.gz RELYVMQLQGUPHM-LLVKDONJSA-N 1 2 224.304 1.537 20 0 BDADLO Cc1nn(Cc2c[nH+]ccc2C)c(C)c1CCO ZINC000418945515 192090367 /nfs/dbraw/zinc/09/03/67/192090367.db2.gz PRCKCNZCCCCOHX-UHFFFAOYSA-N 1 2 245.326 1.786 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000093401879 345669968 /nfs/dbraw/zinc/66/99/68/345669968.db2.gz PESKCKGWJCOWEF-BXKDBHETSA-N 1 2 249.314 1.625 20 0 BDADLO CN1CC[N@H+](Cc2cncs2)C(C)(C)C1 ZINC000093457230 345671393 /nfs/dbraw/zinc/67/13/93/345671393.db2.gz RJHVWZMLJPILAX-UHFFFAOYSA-N 1 2 225.361 1.669 20 0 BDADLO CN1CC[N@@H+](Cc2cncs2)C(C)(C)C1 ZINC000093457230 345671395 /nfs/dbraw/zinc/67/13/95/345671395.db2.gz RJHVWZMLJPILAX-UHFFFAOYSA-N 1 2 225.361 1.669 20 0 BDADLO COc1cnn(Cc2c[nH+]ccc2C)c1 ZINC000641729231 362650916 /nfs/dbraw/zinc/65/09/16/362650916.db2.gz WIIFPDXKYOAKOI-UHFFFAOYSA-N 1 2 203.245 1.643 20 0 BDADLO CC(=O)N1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000220599568 345746410 /nfs/dbraw/zinc/74/64/10/345746410.db2.gz IKBAZHCNHUISOU-UHFFFAOYSA-N 1 2 248.330 1.551 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000147430218 345711104 /nfs/dbraw/zinc/71/11/04/345711104.db2.gz GWPLJULKVWVQOK-NSHDSACASA-N 1 2 241.294 1.697 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000147430218 345711105 /nfs/dbraw/zinc/71/11/05/345711105.db2.gz GWPLJULKVWVQOK-NSHDSACASA-N 1 2 241.294 1.697 20 0 BDADLO CCc1noc(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140820122 345822896 /nfs/dbraw/zinc/82/28/96/345822896.db2.gz KMVSCHIFFYEOSZ-SSDOTTSWSA-N 1 2 248.286 1.760 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000061709170 345843972 /nfs/dbraw/zinc/84/39/72/345843972.db2.gz TXZRFUWRBOHJDY-SECBINFHSA-N 1 2 212.318 1.272 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000061709170 345843975 /nfs/dbraw/zinc/84/39/75/345843975.db2.gz TXZRFUWRBOHJDY-SECBINFHSA-N 1 2 212.318 1.272 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H](C)COC)C(=O)OCC ZINC000309616959 187310101 /nfs/dbraw/zinc/31/01/01/187310101.db2.gz DCSOUMWKFJMUNB-PYIHCCSZSA-N 1 2 229.320 1.509 20 0 BDADLO C[C@@H](NC(=O)Cc1ccc(F)cc1)c1[nH]cc[nH+]1 ZINC000140878674 345824515 /nfs/dbraw/zinc/82/45/15/345824515.db2.gz APYMWVNIBQYKTI-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO Cc1cccnc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140914793 345825009 /nfs/dbraw/zinc/82/50/09/345825009.db2.gz CCZXSMSYUIQEIZ-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635595867 345881671 /nfs/dbraw/zinc/88/16/71/345881671.db2.gz GMZIXIQEZDLZND-UKKRHICBSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635595867 345881673 /nfs/dbraw/zinc/88/16/73/345881673.db2.gz GMZIXIQEZDLZND-UKKRHICBSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635595864 345882020 /nfs/dbraw/zinc/88/20/20/345882020.db2.gz GMZIXIQEZDLZND-GWOFURMSSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635595864 345882021 /nfs/dbraw/zinc/88/20/21/345882021.db2.gz GMZIXIQEZDLZND-GWOFURMSSA-N 1 2 233.315 1.770 20 0 BDADLO Cc1nc[nH]c1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000635649706 345927793 /nfs/dbraw/zinc/92/77/93/345927793.db2.gz SNTFXUDHTYWEDA-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO CC(C)(CNc1cccc[nH+]1)OCCO ZINC000288350603 187361680 /nfs/dbraw/zinc/36/16/80/187361680.db2.gz WWYUEDFEYMVJGY-UHFFFAOYSA-N 1 2 210.277 1.281 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cncc(C)c2)[nH+]1 ZINC000635655525 345935366 /nfs/dbraw/zinc/93/53/66/345935366.db2.gz AKDWYROCFYHHKK-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO CNc1cc(N2CCC(OC)CC2)nc[nH+]1 ZINC000087810378 345941960 /nfs/dbraw/zinc/94/19/60/345941960.db2.gz FABMWSXGXVTSLN-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N2CCC(OC)CC2)[nH+]cn1 ZINC000087810378 345941962 /nfs/dbraw/zinc/94/19/62/345941962.db2.gz FABMWSXGXVTSLN-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CSC1(C)C ZINC000282884531 187361475 /nfs/dbraw/zinc/36/14/75/187361475.db2.gz SFXSLQLYNFQAAU-SECBINFHSA-N 1 2 211.334 1.702 20 0 BDADLO CCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120771866 168542202 /nfs/dbraw/zinc/54/22/02/168542202.db2.gz KGKITBRKMUWRLN-GFCCVEGCSA-N 1 2 234.299 1.861 20 0 BDADLO COC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635726056 346036920 /nfs/dbraw/zinc/03/69/20/346036920.db2.gz RRQHDPKPAKXODY-FOGDFJRCSA-N 1 2 249.314 1.054 20 0 BDADLO COC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635726056 346036924 /nfs/dbraw/zinc/03/69/24/346036924.db2.gz RRQHDPKPAKXODY-FOGDFJRCSA-N 1 2 249.314 1.054 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)C(F)F ZINC000449358745 201882627 /nfs/dbraw/zinc/88/26/27/201882627.db2.gz GHZMPNNQUCQOQM-SNVBAGLBSA-N 1 2 247.289 1.663 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1(C)CCC1 ZINC000193459774 187315471 /nfs/dbraw/zinc/31/54/71/187315471.db2.gz ZCUBAJOYRIEVTP-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)[C@H](C)[C@H](C)O1 ZINC000438370472 537940117 /nfs/dbraw/zinc/94/01/17/537940117.db2.gz CKMQWXATYSCFIK-MXWKQRLJSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)[C@H](C)[C@H](C)O1 ZINC000438370472 537940121 /nfs/dbraw/zinc/94/01/21/537940121.db2.gz CKMQWXATYSCFIK-MXWKQRLJSA-N 1 2 221.304 1.474 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635841626 346083406 /nfs/dbraw/zinc/08/34/06/346083406.db2.gz YWCGDWRVBUJFIY-SGIHWFKDSA-N 1 2 237.303 1.053 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635841626 346083409 /nfs/dbraw/zinc/08/34/09/346083409.db2.gz YWCGDWRVBUJFIY-SGIHWFKDSA-N 1 2 237.303 1.053 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635845613 346089031 /nfs/dbraw/zinc/08/90/31/346089031.db2.gz KVDOSKFZBJVIAZ-NXEZZACHSA-N 1 2 219.288 1.596 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635845613 346089035 /nfs/dbraw/zinc/08/90/35/346089035.db2.gz KVDOSKFZBJVIAZ-NXEZZACHSA-N 1 2 219.288 1.596 20 0 BDADLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)F ZINC000635876475 346096100 /nfs/dbraw/zinc/09/61/00/346096100.db2.gz DHXZVWDLXNLTJN-RNFRBKRXSA-N 1 2 243.257 1.673 20 0 BDADLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)F ZINC000635876475 346096101 /nfs/dbraw/zinc/09/61/01/346096101.db2.gz DHXZVWDLXNLTJN-RNFRBKRXSA-N 1 2 243.257 1.673 20 0 BDADLO CCc1c[nH]c(CC(=O)NC(C)(C)C(F)F)[nH+]1 ZINC000635877845 346096565 /nfs/dbraw/zinc/09/65/65/346096565.db2.gz ORELBXCXCDPDMM-UHFFFAOYSA-N 1 2 245.273 1.675 20 0 BDADLO CC[N@H+](Cc1nc(C(C)(C)OC)no1)C1CC1 ZINC000096009446 346098637 /nfs/dbraw/zinc/09/86/37/346098637.db2.gz SFXUDPZECDUKIF-UHFFFAOYSA-N 1 2 239.319 1.935 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)(C)OC)no1)C1CC1 ZINC000096009446 346098640 /nfs/dbraw/zinc/09/86/40/346098640.db2.gz SFXUDPZECDUKIF-UHFFFAOYSA-N 1 2 239.319 1.935 20 0 BDADLO CO[C@@H](CNc1cc(C)[nH+]cn1)CC(C)C ZINC000418995013 192096280 /nfs/dbraw/zinc/09/62/80/192096280.db2.gz QOXFMBHNGZAGTP-LLVKDONJSA-N 1 2 223.320 1.680 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)OCC)cn1 ZINC000194601786 187316412 /nfs/dbraw/zinc/31/64/12/187316412.db2.gz PPEKLJGPPBTKNF-GFCCVEGCSA-N 1 2 249.314 1.511 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)OCC)cn1 ZINC000194601786 187316413 /nfs/dbraw/zinc/31/64/13/187316413.db2.gz PPEKLJGPPBTKNF-GFCCVEGCSA-N 1 2 249.314 1.511 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(C(F)(F)F)CC1 ZINC000586798801 346120579 /nfs/dbraw/zinc/12/05/79/346120579.db2.gz AFBUYJIJJAQQAT-UHFFFAOYSA-N 1 2 247.220 1.342 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](F)C1 ZINC000635982488 346136027 /nfs/dbraw/zinc/13/60/27/346136027.db2.gz FEHHBLPQSZPIAT-IWSPIJDZSA-N 1 2 223.251 1.084 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](F)C1 ZINC000635982488 346136028 /nfs/dbraw/zinc/13/60/28/346136028.db2.gz FEHHBLPQSZPIAT-IWSPIJDZSA-N 1 2 223.251 1.084 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000577078142 365808123 /nfs/dbraw/zinc/80/81/23/365808123.db2.gz ZGMOQYVSZJKHEY-JTQLQIEISA-N 1 2 246.314 1.269 20 0 BDADLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000635996068 346145163 /nfs/dbraw/zinc/14/51/63/346145163.db2.gz VLOFLEQEWUGJCR-VXNVDRBHSA-N 1 2 245.286 1.350 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000636020523 346158431 /nfs/dbraw/zinc/15/84/31/346158431.db2.gz UXBAHTWRYMKVMH-USWWRNFRSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1ncc(C[NH2+][C@H](CO)c2ccsc2)o1 ZINC000628239841 346200403 /nfs/dbraw/zinc/20/04/03/346200403.db2.gz GVJOOANVYVPZBM-LLVKDONJSA-N 1 2 238.312 1.868 20 0 BDADLO Cc1c[nH]c(C[NH+]2CCC(O)(C(F)F)CC2)n1 ZINC000628242005 346201588 /nfs/dbraw/zinc/20/15/88/346201588.db2.gz OSIARCALTZDQNS-UHFFFAOYSA-N 1 2 245.273 1.310 20 0 BDADLO Cc1c[nH]c(CN2CCC(O)(C(F)F)CC2)[nH+]1 ZINC000628242005 346201591 /nfs/dbraw/zinc/20/15/91/346201591.db2.gz OSIARCALTZDQNS-UHFFFAOYSA-N 1 2 245.273 1.310 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C3CC3)C2)[nH+]c1C ZINC000628241523 346203717 /nfs/dbraw/zinc/20/37/17/346203717.db2.gz ZKABQQYTYSVTSN-LBPRGKRZSA-N 1 2 235.331 1.637 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)[nH]c1C ZINC000628243982 346208403 /nfs/dbraw/zinc/20/84/03/346208403.db2.gz ONRFSNRDNJSCBA-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](O)C(C)(C)C2)[nH]c1C ZINC000628243982 346208406 /nfs/dbraw/zinc/20/84/06/346208406.db2.gz ONRFSNRDNJSCBA-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]c(CN2CC[C@H](O)C(C)(C)C2)[nH+]c1C ZINC000628243982 346208407 /nfs/dbraw/zinc/20/84/07/346208407.db2.gz ONRFSNRDNJSCBA-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]c(CN2C[C@H](O)C(C)(C)C2)[nH+]c1C ZINC000628254736 346237070 /nfs/dbraw/zinc/23/70/70/346237070.db2.gz NMKRYKFMEGDDOU-JTQLQIEISA-N 1 2 223.320 1.229 20 0 BDADLO FC(F)[C@H]1CCN(c2cccc[nH+]2)CCO1 ZINC000631483459 346250450 /nfs/dbraw/zinc/25/04/50/346250450.db2.gz LMRVTBZMKUVWQB-SECBINFHSA-N 1 2 228.242 1.942 20 0 BDADLO COc1cccnc1C[NH2+]Cc1cc(C)no1 ZINC000631155805 346258695 /nfs/dbraw/zinc/25/86/95/346258695.db2.gz XPWPJNLUEDIBJU-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@H]2CC(F)F)[nH+]1 ZINC000628275393 346284833 /nfs/dbraw/zinc/28/48/33/346284833.db2.gz LWAMSHWJDURHIL-SECBINFHSA-N 1 2 245.273 1.574 20 0 BDADLO CCn1ncc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1C ZINC000631156195 346266262 /nfs/dbraw/zinc/26/62/62/346266262.db2.gz WQXACKBXRBWUBO-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CCCCOCC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000534314846 323116320 /nfs/dbraw/zinc/11/63/20/323116320.db2.gz DVLOXCFHOBQTHR-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C)c1O ZINC000336412423 179020259 /nfs/dbraw/zinc/02/02/59/179020259.db2.gz AIMFKODUVOEWGI-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)N1CCCCCC1 ZINC000641751661 362680057 /nfs/dbraw/zinc/68/00/57/362680057.db2.gz ZCYZYNCUJKNJFY-UHFFFAOYSA-N 1 2 248.330 1.736 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@@H](F)C2)[nH+]1 ZINC000636127279 346328386 /nfs/dbraw/zinc/32/83/86/346328386.db2.gz FFYOGXQDCTVDSJ-SECBINFHSA-N 1 2 239.294 1.475 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@H](O)CC)no1 ZINC000381548280 346324171 /nfs/dbraw/zinc/32/41/71/346324171.db2.gz LJAWABNUXWIAJD-MRVPVSSYSA-N 1 2 227.308 1.228 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](CC(N)=O)CCO1 ZINC000336251733 187366811 /nfs/dbraw/zinc/36/68/11/187366811.db2.gz RWOBBGMDTFBVST-QMMMGPOBSA-N 1 2 200.282 1.269 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](CC(N)=O)CCO1 ZINC000336251733 187366813 /nfs/dbraw/zinc/36/68/13/187366813.db2.gz RWOBBGMDTFBVST-QMMMGPOBSA-N 1 2 200.282 1.269 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000148601612 346349935 /nfs/dbraw/zinc/34/99/35/346349935.db2.gz RZNMMCDSJLKNHZ-HTQZYQBOSA-N 1 2 221.247 1.715 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)N(C)C2CC2)n1 ZINC000337978162 179062858 /nfs/dbraw/zinc/06/28/58/179062858.db2.gz RDHQRVOSQDQLDE-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)N(C)C2CC2)n1 ZINC000337978162 179062862 /nfs/dbraw/zinc/06/28/62/179062862.db2.gz RDHQRVOSQDQLDE-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000336249754 179071613 /nfs/dbraw/zinc/07/16/13/179071613.db2.gz LTERHDRAAYEUIO-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000336249754 179071616 /nfs/dbraw/zinc/07/16/16/179071616.db2.gz LTERHDRAAYEUIO-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@]23C[C@@H]2CCCC3)[nH+]1 ZINC000636315334 346390436 /nfs/dbraw/zinc/39/04/36/346390436.db2.gz SYSXEYJWEMWTKH-HZMBPMFUSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@@H](C2CC2)C1 ZINC000574927843 346416828 /nfs/dbraw/zinc/41/68/28/346416828.db2.gz YSQORMVJIQOJNA-GFCCVEGCSA-N 1 2 233.315 1.709 20 0 BDADLO C[C@H]([NH2+]Cc1cnn2c1CCC2)C(F)F ZINC000641793001 362728549 /nfs/dbraw/zinc/72/85/49/362728549.db2.gz AINWDTTXXZGDMG-ZETCQYMHSA-N 1 2 215.247 1.573 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CCC(F)F)CC2 ZINC000684474971 488319134 /nfs/dbraw/zinc/31/91/34/488319134.db2.gz PDBBGWCLIXVKDM-UHFFFAOYSA-N 1 2 243.257 1.579 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C[C@@H]1F ZINC000679222376 488319744 /nfs/dbraw/zinc/31/97/44/488319744.db2.gz MIYUXWSDMSZZRQ-JQWIXIFHSA-N 1 2 242.338 1.535 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc2ncnn2c1 ZINC000641794283 362734129 /nfs/dbraw/zinc/73/41/29/362734129.db2.gz LXLOOQULKDJALE-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BDADLO C[C@@H]([NH2+]Cc1ccncc1N)C(F)F ZINC000641793654 362735228 /nfs/dbraw/zinc/73/52/28/362735228.db2.gz MYAOKABACJIYET-ZCFIWIBFSA-N 1 2 201.220 1.407 20 0 BDADLO CCCC[N@H+](CC)Cc1noc(COC)n1 ZINC000182375831 347093250 /nfs/dbraw/zinc/09/32/50/347093250.db2.gz ROFVMIBWJZVPSL-UHFFFAOYSA-N 1 2 227.308 1.838 20 0 BDADLO CCCC[N@@H+](CC)Cc1noc(COC)n1 ZINC000182375831 347093252 /nfs/dbraw/zinc/09/32/52/347093252.db2.gz ROFVMIBWJZVPSL-UHFFFAOYSA-N 1 2 227.308 1.838 20 0 BDADLO Cc1cccc(C[NH2+]Cc2nccn2C)n1 ZINC000051576408 179094854 /nfs/dbraw/zinc/09/48/54/179094854.db2.gz QXUUSOKAVLOCEN-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)CC2(C)CC2)CCO1 ZINC000574971478 346476164 /nfs/dbraw/zinc/47/61/64/346476164.db2.gz WVAQYVHTIMPAHJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)CC2(C)CC2)CCO1 ZINC000574971478 346476165 /nfs/dbraw/zinc/47/61/65/346476165.db2.gz WVAQYVHTIMPAHJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC=CCC1 ZINC000636805591 349970860 /nfs/dbraw/zinc/97/08/60/349970860.db2.gz GOIWHUFYABFGCS-WDEREUQCSA-N 1 2 246.314 1.216 20 0 BDADLO COCC(C)(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580092942 346520090 /nfs/dbraw/zinc/52/00/90/346520090.db2.gz VCBJSMFMRWXVJL-VIFPVBQESA-N 1 2 239.319 1.130 20 0 BDADLO COCC(C)(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580092942 346520094 /nfs/dbraw/zinc/52/00/94/346520094.db2.gz VCBJSMFMRWXVJL-VIFPVBQESA-N 1 2 239.319 1.130 20 0 BDADLO CCOC1(C)C[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000580044723 346492081 /nfs/dbraw/zinc/49/20/81/346492081.db2.gz VCLHZIYVZDNHFV-UHFFFAOYSA-N 1 2 246.314 1.520 20 0 BDADLO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccn[nH]2)c1 ZINC000189030304 179105906 /nfs/dbraw/zinc/10/59/06/179105906.db2.gz FJWHOLHHGWGTAX-CQSZACIVSA-N 1 2 245.326 1.411 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336538280 187369635 /nfs/dbraw/zinc/36/96/35/187369635.db2.gz GOADXVXHTRMSHS-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO CCCCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636445141 346564286 /nfs/dbraw/zinc/56/42/86/346564286.db2.gz BLCMMBFOGJJPQY-JTQLQIEISA-N 1 2 236.319 1.297 20 0 BDADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)C ZINC000361520491 346554661 /nfs/dbraw/zinc/55/46/61/346554661.db2.gz WQVQVFOAGGJROS-UHFFFAOYSA-N 1 2 212.297 1.378 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)C ZINC000361520491 346554663 /nfs/dbraw/zinc/55/46/63/346554663.db2.gz WQVQVFOAGGJROS-UHFFFAOYSA-N 1 2 212.297 1.378 20 0 BDADLO C[C@@H](Cc1cccs1)NC(=O)Cn1cc[nH+]c1 ZINC000577155813 365841825 /nfs/dbraw/zinc/84/18/25/365841825.db2.gz MTJJSHPUZIKKSX-JTQLQIEISA-N 1 2 249.339 1.692 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@H]1C1CC1 ZINC000580698616 346665841 /nfs/dbraw/zinc/66/58/41/346665841.db2.gz FTAOQVNTUPRMRD-QWRGUYRKSA-N 1 2 219.288 1.045 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(C)CC1 ZINC000580216152 346701839 /nfs/dbraw/zinc/70/18/39/346701839.db2.gz OMHYOGKQXYSVKD-UHFFFAOYSA-N 1 2 207.277 1.319 20 0 BDADLO c1cnn(CC[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000589642694 346722183 /nfs/dbraw/zinc/72/21/83/346722183.db2.gz AUOOLGVMLGOZTE-UHFFFAOYSA-N 1 2 241.298 1.549 20 0 BDADLO CCC[C@@H](C)[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000563628247 323132490 /nfs/dbraw/zinc/13/24/90/323132490.db2.gz BTWWLSNBIUKJIR-KOLCDFICSA-N 1 2 223.320 1.994 20 0 BDADLO CCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005672 346762006 /nfs/dbraw/zinc/76/20/06/346762006.db2.gz JSTXVDPHKFEONG-UHFFFAOYSA-N 1 2 206.245 1.081 20 0 BDADLO CC(C)c1nc(N2CC(CO)C2)cc[nH+]1 ZINC000182943271 347112309 /nfs/dbraw/zinc/11/23/09/347112309.db2.gz AFSOSMDDHFDZKH-UHFFFAOYSA-N 1 2 207.277 1.029 20 0 BDADLO CCc1[nH]nc(NC(=O)Cc2[nH]c[nH+]c2C)c1C ZINC000577189891 365868222 /nfs/dbraw/zinc/86/82/22/365868222.db2.gz CBHHOJIJLNHWGQ-UHFFFAOYSA-N 1 2 247.302 1.493 20 0 BDADLO Cc1cc(N[C@@H]2CC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000378679728 346804833 /nfs/dbraw/zinc/80/48/33/346804833.db2.gz UOBQAAXGZJBTMQ-NXEZZACHSA-N 1 2 219.288 1.020 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580328236 347162151 /nfs/dbraw/zinc/16/21/51/347162151.db2.gz OWFWTRNNTYHYDR-KOLCDFICSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580328236 347162154 /nfs/dbraw/zinc/16/21/54/347162154.db2.gz OWFWTRNNTYHYDR-KOLCDFICSA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387921015 347127982 /nfs/dbraw/zinc/12/79/82/347127982.db2.gz YVEOVIFNGCIWIM-JTQLQIEISA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387921015 347127986 /nfs/dbraw/zinc/12/79/86/347127986.db2.gz YVEOVIFNGCIWIM-JTQLQIEISA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cncnc1 ZINC000361154702 537987253 /nfs/dbraw/zinc/98/72/53/537987253.db2.gz QRUGJUWDZPZVQC-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cncnc1 ZINC000361154702 537987260 /nfs/dbraw/zinc/98/72/60/537987260.db2.gz QRUGJUWDZPZVQC-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO Cc1csc2nc(Cn3cc[nH+]c3)cc(=O)n12 ZINC000010809617 347204152 /nfs/dbraw/zinc/20/41/52/347204152.db2.gz XXTBAFKOJQQPCL-UHFFFAOYSA-N 1 2 246.295 1.309 20 0 BDADLO CC(F)(F)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000382104423 347174319 /nfs/dbraw/zinc/17/43/19/347174319.db2.gz PFHZNJIMPHCXCN-UHFFFAOYSA-N 1 2 234.271 1.592 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(C)cnn2C)no1 ZINC000309862394 347189041 /nfs/dbraw/zinc/18/90/41/347189041.db2.gz NCWZAWGIBKOADW-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO CCN1CC[N@H+](Cc2ccncc2)C(C)(C)C1=O ZINC000186518488 347235462 /nfs/dbraw/zinc/23/54/62/347235462.db2.gz ZWEAWRSPGKWFKU-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CCN1CC[N@@H+](Cc2ccncc2)C(C)(C)C1=O ZINC000186518488 347235464 /nfs/dbraw/zinc/23/54/64/347235464.db2.gz ZWEAWRSPGKWFKU-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO OCCN(c1cc(NC2CC2)[nH+]cn1)C1CCC1 ZINC000582109169 347288802 /nfs/dbraw/zinc/28/88/02/347288802.db2.gz VIXAQSHJBPHZQD-UHFFFAOYSA-N 1 2 248.330 1.402 20 0 BDADLO OCCN(c1cc(NC2CC2)nc[nH+]1)C1CCC1 ZINC000582109169 347288804 /nfs/dbraw/zinc/28/88/04/347288804.db2.gz VIXAQSHJBPHZQD-UHFFFAOYSA-N 1 2 248.330 1.402 20 0 BDADLO CO[C@H]([C@@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000388236210 347254329 /nfs/dbraw/zinc/25/43/29/347254329.db2.gz OQTQYQXVIDQHJN-LDYMZIIASA-N 1 2 209.293 1.313 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000571316574 323141187 /nfs/dbraw/zinc/14/11/87/323141187.db2.gz VCLOSHUJXPRVBG-PWSUYJOCSA-N 1 2 218.300 1.965 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000571316574 323141188 /nfs/dbraw/zinc/14/11/88/323141188.db2.gz VCLOSHUJXPRVBG-PWSUYJOCSA-N 1 2 218.300 1.965 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000628298748 347335790 /nfs/dbraw/zinc/33/57/90/347335790.db2.gz QCRIILVBIZMNBM-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000628298748 347335792 /nfs/dbraw/zinc/33/57/92/347335792.db2.gz QCRIILVBIZMNBM-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1cc(N[C@H]2CC(=O)N(C)C2)nc(C(C)C)[nH+]1 ZINC000310899843 347320836 /nfs/dbraw/zinc/32/08/36/347320836.db2.gz OYIZODDRBYPACQ-JTQLQIEISA-N 1 2 248.330 1.551 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OC)c1cccs1 ZINC000020086423 347405895 /nfs/dbraw/zinc/40/58/95/347405895.db2.gz NNCPBGGLMZFPCA-QMMMGPOBSA-N 1 2 213.302 1.962 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC(C)(C)F ZINC000618411248 347414370 /nfs/dbraw/zinc/41/43/70/347414370.db2.gz ZOYATRCPJCWAFR-UHFFFAOYSA-N 1 2 241.310 1.607 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000616922118 347452131 /nfs/dbraw/zinc/45/21/31/347452131.db2.gz QCXPHPACBNFURA-JBLDHEPKSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000616922118 347452134 /nfs/dbraw/zinc/45/21/34/347452134.db2.gz QCXPHPACBNFURA-JBLDHEPKSA-N 1 2 233.315 1.804 20 0 BDADLO CCOC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000616922306 347452240 /nfs/dbraw/zinc/45/22/40/347452240.db2.gz XFUGFOQNUSVJKS-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000616922306 347452243 /nfs/dbraw/zinc/45/22/43/347452243.db2.gz XFUGFOQNUSVJKS-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CC(C)CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922617 347453307 /nfs/dbraw/zinc/45/33/07/347453307.db2.gz CNPRNSIKLFZWIQ-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO CC(C)CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922617 347453308 /nfs/dbraw/zinc/45/33/08/347453308.db2.gz CNPRNSIKLFZWIQ-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO CCOCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923717 347454371 /nfs/dbraw/zinc/45/43/71/347454371.db2.gz RKPXNACQGYXVDH-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCOCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923717 347454374 /nfs/dbraw/zinc/45/43/74/347454374.db2.gz RKPXNACQGYXVDH-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCn1cc[nH+]c1CN1CCOCC1(C)C ZINC000195515111 347455477 /nfs/dbraw/zinc/45/54/77/347455477.db2.gz JAWWXYJOWCWLDK-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC(F)(F)F ZINC000616924569 347456450 /nfs/dbraw/zinc/45/64/50/347456450.db2.gz NZOVEVJIBOFDTL-UHFFFAOYSA-N 1 2 221.182 1.321 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC(F)(F)F ZINC000616924569 347456451 /nfs/dbraw/zinc/45/64/51/347456451.db2.gz NZOVEVJIBOFDTL-UHFFFAOYSA-N 1 2 221.182 1.321 20 0 BDADLO COC(=O)[C@H](CC(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000590655929 347486185 /nfs/dbraw/zinc/48/61/85/347486185.db2.gz UQNUKBQRNWKNNU-JTQLQIEISA-N 1 2 239.319 1.429 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc[nH]c1C1CC1 ZINC000616928537 347494660 /nfs/dbraw/zinc/49/46/60/347494660.db2.gz DQDMQYPGURMWOR-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc[nH]c1C1CC1 ZINC000616928537 347494661 /nfs/dbraw/zinc/49/46/61/347494661.db2.gz DQDMQYPGURMWOR-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)C(F)F ZINC000616929018 347496137 /nfs/dbraw/zinc/49/61/37/347496137.db2.gz QYZLPHADGYCVRO-UHFFFAOYSA-N 1 2 231.246 1.659 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)C(F)F ZINC000616929018 347496138 /nfs/dbraw/zinc/49/61/38/347496138.db2.gz QYZLPHADGYCVRO-UHFFFAOYSA-N 1 2 231.246 1.659 20 0 BDADLO Cc1nc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)o1 ZINC000616929296 347496635 /nfs/dbraw/zinc/49/66/35/347496635.db2.gz XKRNVRFJYRRGRN-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO Cc1nc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)o1 ZINC000616929296 347496636 /nfs/dbraw/zinc/49/66/36/347496636.db2.gz XKRNVRFJYRRGRN-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO Cc1cc(CO)oc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929353 347497355 /nfs/dbraw/zinc/49/73/55/347497355.db2.gz YXRVRCQHWZBZEI-UHFFFAOYSA-N 1 2 249.270 1.076 20 0 BDADLO Cc1cc(CO)oc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929353 347497357 /nfs/dbraw/zinc/49/73/57/347497357.db2.gz YXRVRCQHWZBZEI-UHFFFAOYSA-N 1 2 249.270 1.076 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCn1cccc1 ZINC000616925857 347458295 /nfs/dbraw/zinc/45/82/95/347458295.db2.gz SPJCWCCCLQAGML-UHFFFAOYSA-N 1 2 232.287 1.260 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCn1cccc1 ZINC000616925857 347458299 /nfs/dbraw/zinc/45/82/99/347458299.db2.gz SPJCWCCCLQAGML-UHFFFAOYSA-N 1 2 232.287 1.260 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927187 347460643 /nfs/dbraw/zinc/46/06/43/347460643.db2.gz CJVNBHYMFFWAGE-WDEREUQCSA-N 1 2 221.304 1.660 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927187 347460645 /nfs/dbraw/zinc/46/06/45/347460645.db2.gz CJVNBHYMFFWAGE-WDEREUQCSA-N 1 2 221.304 1.660 20 0 BDADLO c1n[nH]nc1CCSc1[nH+]cc2ccccn21 ZINC000580689514 365883876 /nfs/dbraw/zinc/88/38/76/365883876.db2.gz ZOLZZWZZQAWBRB-UHFFFAOYSA-N 1 2 245.311 1.787 20 0 BDADLO O=C(c1cocn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000591201683 347630014 /nfs/dbraw/zinc/63/00/14/347630014.db2.gz QKDCMDVTFQKKRI-SECBINFHSA-N 1 2 246.270 1.418 20 0 BDADLO CCCC(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000116517804 168575972 /nfs/dbraw/zinc/57/59/72/168575972.db2.gz SCRJIBVLSFLSNH-UHFFFAOYSA-N 1 2 238.335 1.761 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000591673077 347684663 /nfs/dbraw/zinc/68/46/63/347684663.db2.gz KXGYFOVIUSWFKA-HTRCEHHLSA-N 1 2 245.373 1.011 20 0 BDADLO CC[C@@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000419231245 192108084 /nfs/dbraw/zinc/10/80/84/192108084.db2.gz JMHMPBHWNBCZSN-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000419231245 192108086 /nfs/dbraw/zinc/10/80/86/192108086.db2.gz JMHMPBHWNBCZSN-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000592377422 347771534 /nfs/dbraw/zinc/77/15/34/347771534.db2.gz WCBQUWBMNHCPEP-MXWKQRLJSA-N 1 2 243.347 1.874 20 0 BDADLO CCc1nc(C[N@H+](CC)CCSC)no1 ZINC000592201061 347752607 /nfs/dbraw/zinc/75/26/07/347752607.db2.gz BQZMRBNHXMVWEA-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1nc(C[N@@H+](CC)CCSC)no1 ZINC000592201061 347752611 /nfs/dbraw/zinc/75/26/11/347752611.db2.gz BQZMRBNHXMVWEA-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1cc(NCc2ccccc2CO)nc[nH+]1 ZINC000592456223 347783512 /nfs/dbraw/zinc/78/35/12/347783512.db2.gz RGPHIDRJHDRBGX-UHFFFAOYSA-N 1 2 243.310 1.565 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000593082798 347851300 /nfs/dbraw/zinc/85/13/00/347851300.db2.gz XIUBZWZCVJXKCD-VIFPVBQESA-N 1 2 211.305 1.860 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)COCC1CC1)C1CC1 ZINC000593183437 347868974 /nfs/dbraw/zinc/86/89/74/347868974.db2.gz WVPBGOYWBVWUBV-BXKDBHETSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1ccccc1OCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368335837 179311491 /nfs/dbraw/zinc/31/14/91/179311491.db2.gz ZXPAUAKCCQAAOX-OCCSQVGLSA-N 1 2 233.311 1.847 20 0 BDADLO Cc1ccccc1OCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368335837 179311492 /nfs/dbraw/zinc/31/14/92/179311492.db2.gz ZXPAUAKCCQAAOX-OCCSQVGLSA-N 1 2 233.311 1.847 20 0 BDADLO O=[S@@]1C[C@@H]2C[C@H]1CN2c1cc[nH+]c(C2CC2)n1 ZINC000593511191 347902079 /nfs/dbraw/zinc/90/20/79/347902079.db2.gz VHPADDDCDRKZHX-FJHFEUQMSA-N 1 2 249.339 1.064 20 0 BDADLO CSC[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000593736681 347939331 /nfs/dbraw/zinc/93/93/31/347939331.db2.gz SCVMUAUGMUMWCG-MRVPVSSYSA-N 1 2 241.360 1.760 20 0 BDADLO CCc1ccccc1C[N@@H+]1CCn2nncc2C1 ZINC000577408879 365948752 /nfs/dbraw/zinc/94/87/52/365948752.db2.gz JKCKBLNOAYOOOX-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCc1ccccc1C[N@H+]1CCn2nncc2C1 ZINC000577408879 365948756 /nfs/dbraw/zinc/94/87/56/365948756.db2.gz JKCKBLNOAYOOOX-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)[C@H]1CCCCO1 ZINC000594551510 348067582 /nfs/dbraw/zinc/06/75/82/348067582.db2.gz FREQPDQIAFQVDZ-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H](C[NH2+][C@H](C(=O)OC(C)C)C(C)C)OC ZINC000419277842 192111671 /nfs/dbraw/zinc/11/16/71/192111671.db2.gz GTXHNKNARRBIMC-RYUDHWBXSA-N 1 2 245.363 1.977 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)C(=O)OC ZINC000594723470 348107524 /nfs/dbraw/zinc/10/75/24/348107524.db2.gz BMUDECFUBJIAAE-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccoc1)C1CC1 ZINC000594725397 348108380 /nfs/dbraw/zinc/10/83/80/348108380.db2.gz KDTXCCWHIKFXCB-NSHDSACASA-N 1 2 223.272 1.363 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000594725434 348108443 /nfs/dbraw/zinc/10/84/43/348108443.db2.gz KQGDNTZNQKRDGH-WCBMZHEXSA-N 1 2 233.258 1.573 20 0 BDADLO CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C(=O)OC ZINC000594724109 348108557 /nfs/dbraw/zinc/10/85/57/348108557.db2.gz CVSAKKUCTFXYIT-CBAPKCEASA-N 1 2 221.247 1.573 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000594615534 348084197 /nfs/dbraw/zinc/08/41/97/348084197.db2.gz WFDWGXDUKABADC-HRDYMLBCSA-N 1 2 217.334 1.422 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C3CC3)n2)[nH]n1 ZINC000603494633 349982414 /nfs/dbraw/zinc/98/24/14/349982414.db2.gz BGGJHKBZHVJPOX-UHFFFAOYSA-N 1 2 229.287 1.420 20 0 BDADLO Cc1cccnc1C[N@H+](C)Cc1cc[nH]n1 ZINC000357304583 179370872 /nfs/dbraw/zinc/37/08/72/179370872.db2.gz KVVHYVNEPZFLPM-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cccnc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000357304583 179370877 /nfs/dbraw/zinc/37/08/77/179370877.db2.gz KVVHYVNEPZFLPM-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](OC)C1CCC1)C(C)C ZINC000595432555 348249055 /nfs/dbraw/zinc/24/90/55/348249055.db2.gz SADGLHDUVXBJBN-RYUDHWBXSA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](OC)C1CCC1)C1CC1 ZINC000595452377 348254030 /nfs/dbraw/zinc/25/40/30/348254030.db2.gz JWWFALCWRFLJRT-NEPJUHHUSA-N 1 2 241.331 1.343 20 0 BDADLO COC(=O)C[N@@H+](C[C@H](CC(C)C)OC)C1CC1 ZINC000419237249 192113939 /nfs/dbraw/zinc/11/39/39/192113939.db2.gz ONXXNGCXNLVDHR-LBPRGKRZSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)C[N@H+](C[C@H](CC(C)C)OC)C1CC1 ZINC000419237249 192113940 /nfs/dbraw/zinc/11/39/40/192113940.db2.gz ONXXNGCXNLVDHR-LBPRGKRZSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1cccnc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000272480811 179375766 /nfs/dbraw/zinc/37/57/66/179375766.db2.gz BBTNOBOIMJFLBZ-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000272480811 179375767 /nfs/dbraw/zinc/37/57/67/179375767.db2.gz BBTNOBOIMJFLBZ-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CCCC[C@@H](CC)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595531557 348273999 /nfs/dbraw/zinc/27/39/99/348273999.db2.gz IMDQCGAPBGUCHC-DGCLKSJQSA-N 1 2 245.363 1.716 20 0 BDADLO COC(=O)c1coc(CN(C)Cc2c[nH+]c[nH]2)c1 ZINC000595598193 348294557 /nfs/dbraw/zinc/29/45/57/348294557.db2.gz YMZJVMBJCQKGCK-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)c1coc(CN(C)Cc2c[nH]c[nH+]2)c1 ZINC000595598193 348294560 /nfs/dbraw/zinc/29/45/60/348294560.db2.gz YMZJVMBJCQKGCK-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000595657803 348297598 /nfs/dbraw/zinc/29/75/98/348297598.db2.gz OWFUIUJWEFATRZ-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC000595657803 348297599 /nfs/dbraw/zinc/29/75/99/348297599.db2.gz OWFUIUJWEFATRZ-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)C(=O)OC ZINC000419282328 192122132 /nfs/dbraw/zinc/12/21/32/192122132.db2.gz ICODNFMTIGQCTQ-OUAUKWLOSA-N 1 2 229.320 1.484 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCOCC1CC1 ZINC000595674517 348309145 /nfs/dbraw/zinc/30/91/45/348309145.db2.gz NLVPWWLOIGGYSL-UHFFFAOYSA-N 1 2 239.315 1.050 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCOCC1CC1 ZINC000595674517 348309149 /nfs/dbraw/zinc/30/91/49/348309149.db2.gz NLVPWWLOIGGYSL-UHFFFAOYSA-N 1 2 239.315 1.050 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cccc(F)c1 ZINC000595676953 348310257 /nfs/dbraw/zinc/31/02/57/348310257.db2.gz WMYTVWUPFIQWRB-UHFFFAOYSA-N 1 2 249.285 1.963 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cccc(F)c1 ZINC000595676953 348310258 /nfs/dbraw/zinc/31/02/58/348310258.db2.gz WMYTVWUPFIQWRB-UHFFFAOYSA-N 1 2 249.285 1.963 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cnccc1C ZINC000595684006 348312305 /nfs/dbraw/zinc/31/23/05/348312305.db2.gz XJCIDXQTINEEFO-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cnccc1C ZINC000595684006 348312307 /nfs/dbraw/zinc/31/23/07/348312307.db2.gz XJCIDXQTINEEFO-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO CCCC[NH2+][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595730884 348317027 /nfs/dbraw/zinc/31/70/27/348317027.db2.gz LBXPXBHZHADZMR-CYBMUJFWSA-N 1 2 243.347 1.877 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCSC ZINC000595769139 348335624 /nfs/dbraw/zinc/33/56/24/348335624.db2.gz JUJIRUYNHBQAKN-VIFPVBQESA-N 1 2 223.313 1.230 20 0 BDADLO CCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595768813 348335866 /nfs/dbraw/zinc/33/58/66/348335866.db2.gz GOZHLTBQUJRIRD-SNVBAGLBSA-N 1 2 205.273 1.667 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595771777 348336640 /nfs/dbraw/zinc/33/66/40/348336640.db2.gz FKXIHIOBFMEPKE-ONGXEEELSA-N 1 2 235.299 1.028 20 0 BDADLO CC[C@H](C[NH2+][C@](C)(CCF)C(=O)OC)OC ZINC000595771766 348336700 /nfs/dbraw/zinc/33/67/00/348336700.db2.gz FISMFQUVOPMNDW-MWLCHTKSSA-N 1 2 235.299 1.292 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC1=CCCC1 ZINC000595773578 348337209 /nfs/dbraw/zinc/33/72/09/348337209.db2.gz QINMNMNZADWMAP-LBPRGKRZSA-N 1 2 229.295 1.978 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](O)C(C)(C)C ZINC000595773247 348337433 /nfs/dbraw/zinc/33/74/33/348337433.db2.gz DJWBPVOSXCKNDP-SKDRFNHKSA-N 1 2 249.326 1.274 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCOCC(C)C ZINC000595775577 348338057 /nfs/dbraw/zinc/33/80/57/348338057.db2.gz PABFICAGUCRTBC-GFCCVEGCSA-N 1 2 249.326 1.540 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC(C)(C)OC ZINC000595773923 348338094 /nfs/dbraw/zinc/33/80/94/348338094.db2.gz GYFQFCGBYSLJKC-GFCCVEGCSA-N 1 2 249.326 1.682 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1CCCO1 ZINC000595777247 348338787 /nfs/dbraw/zinc/33/87/87/348338787.db2.gz ZXZMXIJLETWMLD-GXSJLCMTSA-N 1 2 233.283 1.046 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C(C1CC1)C1CC1 ZINC000303437431 490160450 /nfs/dbraw/zinc/16/04/50/490160450.db2.gz LMBZMTLFGNMBFO-UHFFFAOYSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C(C1CC1)C1CC1 ZINC000303437431 490160459 /nfs/dbraw/zinc/16/04/59/490160459.db2.gz LMBZMTLFGNMBFO-UHFFFAOYSA-N 1 2 219.288 1.462 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1cccnc1 ZINC000595859411 348381878 /nfs/dbraw/zinc/38/18/78/348381878.db2.gz DSBYFPKZZXTYJU-UHFFFAOYSA-N 1 2 246.310 1.609 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1cccnc1 ZINC000595859411 348381879 /nfs/dbraw/zinc/38/18/79/348381879.db2.gz DSBYFPKZZXTYJU-UHFFFAOYSA-N 1 2 246.310 1.609 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CC1 ZINC000596045984 348428579 /nfs/dbraw/zinc/42/85/79/348428579.db2.gz NCYLDOWHGFCCHQ-DTWKUNHWSA-N 1 2 247.285 1.819 20 0 BDADLO O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCCC1 ZINC000603555972 349992152 /nfs/dbraw/zinc/99/21/52/349992152.db2.gz GKYJBNCLVFSWOF-JTQLQIEISA-N 1 2 246.301 1.586 20 0 BDADLO O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCCC1 ZINC000603555972 349992154 /nfs/dbraw/zinc/99/21/54/349992154.db2.gz GKYJBNCLVFSWOF-JTQLQIEISA-N 1 2 246.301 1.586 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000082720481 348541015 /nfs/dbraw/zinc/54/10/15/348541015.db2.gz NIGYNRNWACNGFL-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000082720481 348541018 /nfs/dbraw/zinc/54/10/18/348541018.db2.gz NIGYNRNWACNGFL-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO COC[C@@H](CSCCn1cc[nH+]c1)OC ZINC000596392507 348532203 /nfs/dbraw/zinc/53/22/03/348532203.db2.gz FUQKFLUVHHANMD-JTQLQIEISA-N 1 2 230.333 1.278 20 0 BDADLO CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000531392418 348598971 /nfs/dbraw/zinc/59/89/71/348598971.db2.gz VVRVKRVCWKXFFY-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000531392418 348598974 /nfs/dbraw/zinc/59/89/74/348598974.db2.gz VVRVKRVCWKXFFY-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO COCc1csc(C[N@H+](C)CC(=O)OC)c1 ZINC000596981189 348642810 /nfs/dbraw/zinc/64/28/10/348642810.db2.gz JPCGVCIHIBGNIA-UHFFFAOYSA-N 1 2 243.328 1.499 20 0 BDADLO COCc1csc(C[N@@H+](C)CC(=O)OC)c1 ZINC000596981189 348642813 /nfs/dbraw/zinc/64/28/13/348642813.db2.gz JPCGVCIHIBGNIA-UHFFFAOYSA-N 1 2 243.328 1.499 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCC(C)(C)O ZINC000274783556 179706759 /nfs/dbraw/zinc/70/67/59/179706759.db2.gz AEDWZTKIQYFDHR-UHFFFAOYSA-N 1 2 237.303 1.673 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@]1(C)CCOC1 ZINC000121912541 179708731 /nfs/dbraw/zinc/70/87/31/179708731.db2.gz NWXOMNMKZHMMPG-LBPRGKRZSA-N 1 2 235.287 1.691 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Nc1ccn(C)n1 ZINC000120501337 179710277 /nfs/dbraw/zinc/71/02/77/179710277.db2.gz QPHXGQGNLKXZRH-UHFFFAOYSA-N 1 2 231.259 1.768 20 0 BDADLO CC(C)SCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459853 348977300 /nfs/dbraw/zinc/97/73/00/348977300.db2.gz OIGXUBFXYDXFIZ-VIFPVBQESA-N 1 2 241.360 1.739 20 0 BDADLO C[C@@H](NC(=O)CSC1CC1)c1[nH+]ccn1C ZINC000598465738 348978032 /nfs/dbraw/zinc/97/80/32/348978032.db2.gz SXJOBQQBTDIXPE-MRVPVSSYSA-N 1 2 239.344 1.493 20 0 BDADLO COc1ccc[nH+]c1N[C@H](CCO)CSC ZINC000599047946 349089612 /nfs/dbraw/zinc/08/96/12/349089612.db2.gz GYCGYQVQPPMSQH-SECBINFHSA-N 1 2 242.344 1.616 20 0 BDADLO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000309046745 323205428 /nfs/dbraw/zinc/20/54/28/323205428.db2.gz PBIIQJGMPVMUCQ-INTQDDNPSA-N 1 2 210.277 1.811 20 0 BDADLO c1c[nH+]c(CN2CCOc3ccccc3C2)[nH]1 ZINC000599207313 349119409 /nfs/dbraw/zinc/11/94/09/349119409.db2.gz CIDWCHXKNKOJJP-UHFFFAOYSA-N 1 2 229.283 1.804 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000599297698 349151077 /nfs/dbraw/zinc/15/10/77/349151077.db2.gz XLRXDECGJUVUKF-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000599297698 349151079 /nfs/dbraw/zinc/15/10/79/349151079.db2.gz XLRXDECGJUVUKF-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO CCOC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599595668 349222775 /nfs/dbraw/zinc/22/27/75/349222775.db2.gz LYUCJRVMDWLLBQ-ZDUSSCGKSA-N 1 2 243.347 1.470 20 0 BDADLO C[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599653897 349235080 /nfs/dbraw/zinc/23/50/80/349235080.db2.gz WVLHHWABBRZHFH-QMMMGPOBSA-N 1 2 217.309 1.077 20 0 BDADLO C[C@@](O)(CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000601748356 349339889 /nfs/dbraw/zinc/33/98/89/349339889.db2.gz PKDYPQRAMLFHET-CYBMUJFWSA-N 1 2 233.315 1.349 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881715 350048164 /nfs/dbraw/zinc/04/81/64/350048164.db2.gz GRCJUBNOTDBBRH-WDEREUQCSA-N 1 2 245.282 1.698 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCOC1 ZINC000603886022 350048600 /nfs/dbraw/zinc/04/86/00/350048600.db2.gz VOFCENXWFFCRCG-SNVBAGLBSA-N 1 2 245.282 1.699 20 0 BDADLO Cn1c[nH+]c2c1CCN(C(=O)N[C@H]1CC1(C)C)C2 ZINC000603984721 350065096 /nfs/dbraw/zinc/06/50/96/350065096.db2.gz XHAFCWWXFGPYQU-NSHDSACASA-N 1 2 248.330 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)no1 ZINC000329819445 180036423 /nfs/dbraw/zinc/03/64/23/180036423.db2.gz GOBZSRIYYQTORS-DTWKUNHWSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)no1 ZINC000329819445 180036425 /nfs/dbraw/zinc/03/64/25/180036425.db2.gz GOBZSRIYYQTORS-DTWKUNHWSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@H]3C[C@@H]3C)CCO2)no1 ZINC000330184255 180046014 /nfs/dbraw/zinc/04/60/14/180046014.db2.gz IJTKPJPOETXRCP-GDPRMGEGSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@H]3C[C@@H]3C)CCO2)no1 ZINC000330184255 180046015 /nfs/dbraw/zinc/04/60/15/180046015.db2.gz IJTKPJPOETXRCP-GDPRMGEGSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)no1 ZINC000329849657 180051321 /nfs/dbraw/zinc/05/13/21/180051321.db2.gz PZWNKPDHZFDXEZ-BKDNQFJXSA-N 1 2 237.303 1.596 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cs1 ZINC000036915646 180052113 /nfs/dbraw/zinc/05/21/13/180052113.db2.gz UKLHOBRSMSRJLR-YUMQZZPRSA-N 1 2 241.360 1.579 20 0 BDADLO Cc1nc(N2CCC[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000267934452 180067135 /nfs/dbraw/zinc/06/71/35/180067135.db2.gz HKXHNYKFJZXEQI-NSHDSACASA-N 1 2 247.342 1.625 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCCS2)[nH+]1 ZINC000336364174 180059053 /nfs/dbraw/zinc/05/90/53/180059053.db2.gz WVGVORNRHRZVLZ-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2C[C@H]2C)[nH+]1 ZINC000336780360 180059165 /nfs/dbraw/zinc/05/91/65/180059165.db2.gz RBSPXAHWUNXCOF-APPZFPTMSA-N 1 2 216.288 1.756 20 0 BDADLO Cc1nc(N2C[C@H](O)[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000359729803 180069125 /nfs/dbraw/zinc/06/91/25/180069125.db2.gz OARHBHDLAOCMPK-ZANVPECISA-N 1 2 247.342 1.481 20 0 BDADLO COC(=O)C1([NH2+]CCOC(C)C)CCCC1 ZINC000133621648 191043256 /nfs/dbraw/zinc/04/32/56/191043256.db2.gz UTZIXHDIUQHVAC-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000334230024 538059867 /nfs/dbraw/zinc/05/98/67/538059867.db2.gz RDJNSBOSOWENLS-RKDXNWHRSA-N 1 2 207.277 1.352 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000334230024 538059870 /nfs/dbraw/zinc/05/98/70/538059870.db2.gz RDJNSBOSOWENLS-RKDXNWHRSA-N 1 2 207.277 1.352 20 0 BDADLO Cc1[nH]c(C(=O)NCCOCCC(C)C)c[nH+]1 ZINC000339234169 180130576 /nfs/dbraw/zinc/13/05/76/180130576.db2.gz ROLZSUQEDFGAKS-UHFFFAOYSA-N 1 2 239.319 1.511 20 0 BDADLO Cc1ncc(CN(C)Cc2c[nH+]c[nH]2)s1 ZINC000179382155 180137364 /nfs/dbraw/zinc/13/73/64/180137364.db2.gz NYYYBHRKSJNYKC-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@]1(C)C(C)C ZINC000333713836 180118346 /nfs/dbraw/zinc/11/83/46/180118346.db2.gz GUWIGBKEOIDRSL-WCQYABFASA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@]1(C)C(C)C ZINC000333713836 180118348 /nfs/dbraw/zinc/11/83/48/180118348.db2.gz GUWIGBKEOIDRSL-WCQYABFASA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCCn1cccn1 ZINC000353110845 180118969 /nfs/dbraw/zinc/11/89/69/180118969.db2.gz WTRBCAZVYVAMGL-UHFFFAOYSA-N 1 2 247.302 1.011 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccsc1 ZINC000339353738 180119310 /nfs/dbraw/zinc/11/93/10/180119310.db2.gz ADTKELDLTOJBTR-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCc1ccsc1 ZINC000339353738 180119314 /nfs/dbraw/zinc/11/93/14/180119314.db2.gz ADTKELDLTOJBTR-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000334642273 180119327 /nfs/dbraw/zinc/11/93/27/180119327.db2.gz MIZFQQBNHDDVHI-ZDUSSCGKSA-N 1 2 247.342 1.908 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccsc1C ZINC000346113775 180119748 /nfs/dbraw/zinc/11/97/48/180119748.db2.gz USVJDVXOXWSEIH-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)c1ccccn1 ZINC000339226571 180120467 /nfs/dbraw/zinc/12/04/67/180120467.db2.gz ULEBHNGOACZTNW-SECBINFHSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CO)c2ccsc2)ncn1 ZINC000428428658 191058758 /nfs/dbraw/zinc/05/87/58/191058758.db2.gz YDCIILZHTSELHY-LBPRGKRZSA-N 1 2 249.339 1.670 20 0 BDADLO Cc1ncc(C[NH2+]Cc2csnn2)s1 ZINC000040997660 180154671 /nfs/dbraw/zinc/15/46/71/180154671.db2.gz BADKAYJJLFHVCF-UHFFFAOYSA-N 1 2 226.330 1.593 20 0 BDADLO Cc1ncc(C[NH2+]Cc2nccs2)cn1 ZINC000309170591 180155062 /nfs/dbraw/zinc/15/50/62/180155062.db2.gz LDTJLBREBNQAOC-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2ccon2)cn1 ZINC000336777197 180158674 /nfs/dbraw/zinc/15/86/74/180158674.db2.gz HQDXNHLARHSOOB-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1ncc(CNc2cccc[nH+]2)cn1 ZINC000309098098 180160197 /nfs/dbraw/zinc/16/01/97/180160197.db2.gz FPEFBZAHWHPVKD-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000637099263 350197419 /nfs/dbraw/zinc/19/74/19/350197419.db2.gz HKNAUTWARMRZDQ-JZYVYDRUSA-N 1 2 234.303 1.350 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2nccn2C)c(C)n1 ZINC000331117330 180173890 /nfs/dbraw/zinc/17/38/90/180173890.db2.gz MMYACWWEGNNPRB-VIFPVBQESA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nccc(C[NH2+][C@@H](C)c2ccon2)n1 ZINC000309731129 180192005 /nfs/dbraw/zinc/19/20/05/180192005.db2.gz BDXCVPJYJQRLCW-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1nc(N2CC[C@H](C)[S@](=O)CC2)cc[nH+]1 ZINC000276986279 180194305 /nfs/dbraw/zinc/19/43/05/180194305.db2.gz GEQNMYHTWHSDAF-XXFAHNHDSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1nc(N2CC[C@@](CO)(C(C)C)C2)cc[nH+]1 ZINC000377979655 180194958 /nfs/dbraw/zinc/19/49/58/180194958.db2.gz ZNPYBTJFXGZKNW-CYBMUJFWSA-N 1 2 235.331 1.630 20 0 BDADLO Cc1nc(NCC(C)(C)CCO)cc[nH+]1 ZINC000078688833 180197650 /nfs/dbraw/zinc/19/76/50/180197650.db2.gz SOKDPQMNXWMQLE-UHFFFAOYSA-N 1 2 209.293 1.606 20 0 BDADLO Cc1nc(NC[C@@]2(O)CCC[C@@H]2C)cc[nH+]1 ZINC000292699790 180199973 /nfs/dbraw/zinc/19/99/73/180199973.db2.gz ALRIIYIHOLXUIU-CABZTGNLSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1c(CNc2cc[nH+]c(C)n2)cnn1C ZINC000128823160 180202540 /nfs/dbraw/zinc/20/25/40/180202540.db2.gz VFXZMCIZMGJIDE-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1nccc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000054936228 180202780 /nfs/dbraw/zinc/20/27/80/180202780.db2.gz VQDJXNLQENAUDQ-VIFPVBQESA-N 1 2 217.276 1.482 20 0 BDADLO Cc1nc(N[C@@H](CO)C2CCCC2)cc[nH+]1 ZINC000290685005 180203409 /nfs/dbraw/zinc/20/34/09/180203409.db2.gz JBJDYRIRKWDEQM-NSHDSACASA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H](C)[C@@H]2CCOC2)cc[nH+]1 ZINC000127237216 180203640 /nfs/dbraw/zinc/20/36/40/180203640.db2.gz QLFGIWQJKQQRQD-WCBMZHEXSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000298634584 180203950 /nfs/dbraw/zinc/20/39/50/180203950.db2.gz QVAMJYCUXKSDTG-GHMZBOCLSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000054936529 180204815 /nfs/dbraw/zinc/20/48/15/180204815.db2.gz OTUKWWUHINIJEZ-VHSXEESVSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1nc(N[C@H]2CC(=O)N3CCCC[C@@H]23)cc[nH+]1 ZINC000374581382 180204868 /nfs/dbraw/zinc/20/48/68/180204868.db2.gz AUBRSRHOVFBOAU-QWRGUYRKSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1nc(N[C@H]2CCCc3c[nH]nc32)cc[nH+]1 ZINC000268878266 180206266 /nfs/dbraw/zinc/20/62/66/180206266.db2.gz VUWBTDXZODEQFZ-JTQLQIEISA-N 1 2 229.287 1.998 20 0 BDADLO Cc1nc(N[C@H](C)[C@H]2CCCOC2)cc[nH+]1 ZINC000336678521 180181405 /nfs/dbraw/zinc/18/14/05/180181405.db2.gz BTMVRLJLIVDMSB-KOLCDFICSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000373639111 180183820 /nfs/dbraw/zinc/18/38/20/180183820.db2.gz OBGPZMMQVKIXAG-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000373639111 180183821 /nfs/dbraw/zinc/18/38/21/180183821.db2.gz OBGPZMMQVKIXAG-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000339588640 180183912 /nfs/dbraw/zinc/18/39/12/180183912.db2.gz HKJNBLWSMDJMSY-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H](C)C2)n1 ZINC000339588640 180183915 /nfs/dbraw/zinc/18/39/15/180183915.db2.gz HKJNBLWSMDJMSY-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ncccc1C(=O)NCCn1cc[nH+]c1 ZINC000170987549 180211292 /nfs/dbraw/zinc/21/12/92/180211292.db2.gz SKMUIGHRNXMGOE-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO Cc1ncccc1C[NH+]1CC(n2ccnn2)C1 ZINC000378540867 180218644 /nfs/dbraw/zinc/21/86/44/180218644.db2.gz QRTNQNOXVSAZJA-UHFFFAOYSA-N 1 2 229.287 1.038 20 0 BDADLO CCc1nnc(CN2CCC[C@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000365389503 350263480 /nfs/dbraw/zinc/26/34/80/350263480.db2.gz HNWVBKZJAQHKDF-VIFPVBQESA-N 1 2 246.318 1.427 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCO[C@H](C)C1 ZINC000271045468 180316504 /nfs/dbraw/zinc/31/65/04/180316504.db2.gz PVCHUHWKRYESCK-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncsc1C[N@H+]1CCO[C@H](C)C1 ZINC000271045468 180316507 /nfs/dbraw/zinc/31/65/07/180316507.db2.gz PVCHUHWKRYESCK-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCC1 ZINC000606583403 350373171 /nfs/dbraw/zinc/37/31/71/350373171.db2.gz ZZUCOHZJBXIVPW-UHFFFAOYSA-N 1 2 230.271 1.962 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@]12C[C@@H]1CCC2 ZINC000617213159 350382886 /nfs/dbraw/zinc/38/28/86/350382886.db2.gz DENMUCSUJWOGMO-CABZTGNLSA-N 1 2 219.288 1.401 20 0 BDADLO Cc1ncsc1C[NH2+][C@H]1CCn2ccnc21 ZINC000345343558 180323399 /nfs/dbraw/zinc/32/33/99/180323399.db2.gz HQMPFCBCDCJFQR-VIFPVBQESA-N 1 2 234.328 1.883 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427988053 191104225 /nfs/dbraw/zinc/10/42/25/191104225.db2.gz BWTZEDIUNUCDQH-GRYCIOLGSA-N 1 2 247.342 1.606 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C(C)C)[nH]1 ZINC000428222973 191102842 /nfs/dbraw/zinc/10/28/42/191102842.db2.gz XVOIOKKJBRSMLV-UHFFFAOYSA-N 1 2 226.324 1.132 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C(C)C)[nH]1 ZINC000428222973 191102844 /nfs/dbraw/zinc/10/28/44/191102844.db2.gz XVOIOKKJBRSMLV-UHFFFAOYSA-N 1 2 226.324 1.132 20 0 BDADLO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@H](F)C3)cc12 ZINC000336222986 180363989 /nfs/dbraw/zinc/36/39/89/180363989.db2.gz ZIJPQPMTTVGRQW-LLVKDONJSA-N 1 2 248.305 1.821 20 0 BDADLO Cc1nn(C)c2ncc(C[N@H+]3CC[C@@H](F)C3)cc12 ZINC000336222986 180363992 /nfs/dbraw/zinc/36/39/92/180363992.db2.gz ZIJPQPMTTVGRQW-LLVKDONJSA-N 1 2 248.305 1.821 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](COC)C2)no1 ZINC000336703745 350454891 /nfs/dbraw/zinc/45/48/91/350454891.db2.gz OMPGNVCIJCIQJV-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](COC)C2)no1 ZINC000336703745 350454892 /nfs/dbraw/zinc/45/48/92/350454892.db2.gz OMPGNVCIJCIQJV-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427988041 191104695 /nfs/dbraw/zinc/10/46/95/191104695.db2.gz BVZQSAYZLRNJNB-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1c[nH]cn1 ZINC000362336144 180382642 /nfs/dbraw/zinc/38/26/42/180382642.db2.gz NIDCZUFHMYMCAD-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c[nH]cn1 ZINC000362336144 180382643 /nfs/dbraw/zinc/38/26/43/180382643.db2.gz NIDCZUFHMYMCAD-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cnc[nH]1 ZINC000362336144 180382646 /nfs/dbraw/zinc/38/26/46/180382646.db2.gz NIDCZUFHMYMCAD-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cnc[nH]1 ZINC000362336144 180382648 /nfs/dbraw/zinc/38/26/48/180382648.db2.gz NIDCZUFHMYMCAD-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCOCC1 ZINC000059994863 350496667 /nfs/dbraw/zinc/49/66/67/350496667.db2.gz XSAYZHYQRVNEPG-UHFFFAOYSA-N 1 2 215.293 1.052 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCOCC1 ZINC000059994863 350496670 /nfs/dbraw/zinc/49/66/70/350496670.db2.gz XSAYZHYQRVNEPG-UHFFFAOYSA-N 1 2 215.293 1.052 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@@H](C)O)s1 ZINC000358490912 180404732 /nfs/dbraw/zinc/40/47/32/180404732.db2.gz MSKGPYQFTBPBJN-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@@H](C)O)s1 ZINC000358490912 180404734 /nfs/dbraw/zinc/40/47/34/180404734.db2.gz MSKGPYQFTBPBJN-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C1CC1 ZINC000365702951 350579694 /nfs/dbraw/zinc/57/96/94/350579694.db2.gz GIGHOXFXTOFSAP-ZDUSSCGKSA-N 1 2 247.342 1.989 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C1CC1 ZINC000365702951 350579698 /nfs/dbraw/zinc/57/96/98/350579698.db2.gz GIGHOXFXTOFSAP-ZDUSSCGKSA-N 1 2 247.342 1.989 20 0 BDADLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCO ZINC000368406172 191114709 /nfs/dbraw/zinc/11/47/09/191114709.db2.gz ZNHLXERMRNUJEV-LLVKDONJSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCO ZINC000368406172 191114710 /nfs/dbraw/zinc/11/47/10/191114710.db2.gz ZNHLXERMRNUJEV-LLVKDONJSA-N 1 2 238.335 1.063 20 0 BDADLO C/C=C\CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000637489043 350651651 /nfs/dbraw/zinc/65/16/51/350651651.db2.gz UTJXSYZEUFYOBX-IHWYPQMZSA-N 1 2 248.330 1.806 20 0 BDADLO CC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336165781 535148737 /nfs/dbraw/zinc/14/87/37/535148737.db2.gz UVXJGDWCXWAFDZ-JTQLQIEISA-N 1 2 233.315 1.362 20 0 BDADLO CC[N@H+](Cc1nccn1C(F)F)[C@H]1CCOC1 ZINC000338315139 350678735 /nfs/dbraw/zinc/67/87/35/350678735.db2.gz MNSPIBDFQRJKQP-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO CC[N@@H+](Cc1nccn1C(F)F)[C@H]1CCOC1 ZINC000338315139 350678737 /nfs/dbraw/zinc/67/87/37/350678737.db2.gz MNSPIBDFQRJKQP-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCOC[C@@H]2C)o1 ZINC000335893464 350689264 /nfs/dbraw/zinc/68/92/64/350689264.db2.gz SXPWWVQXZSMWMO-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCOC[C@@H]2C)o1 ZINC000335893464 350689268 /nfs/dbraw/zinc/68/92/68/350689268.db2.gz SXPWWVQXZSMWMO-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO C[C@@H](NC(=O)c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000125349065 350733322 /nfs/dbraw/zinc/73/33/22/350733322.db2.gz CYPNLEHJYIOIPJ-SSDOTTSWSA-N 1 2 204.233 1.229 20 0 BDADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)[C@H](C)CO ZINC000339627903 350769537 /nfs/dbraw/zinc/76/95/37/350769537.db2.gz MUZDSGWRQBFTCB-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)[C@H](C)CO ZINC000339627903 350769538 /nfs/dbraw/zinc/76/95/38/350769538.db2.gz MUZDSGWRQBFTCB-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@H+](Cc1nc(C(C)C)no1)[C@H](C)CO ZINC000339631813 350770653 /nfs/dbraw/zinc/77/06/53/350770653.db2.gz XAZDEFMGRRBGEO-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)C)no1)[C@H](C)CO ZINC000339631813 350770655 /nfs/dbraw/zinc/77/06/55/350770655.db2.gz XAZDEFMGRRBGEO-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C3CCC3)C2)o1 ZINC000628310351 350789079 /nfs/dbraw/zinc/78/90/79/350789079.db2.gz ZOBXRKNQKAIDBR-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C3CCC3)C2)o1 ZINC000628310351 350789082 /nfs/dbraw/zinc/78/90/82/350789082.db2.gz ZOBXRKNQKAIDBR-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc3ccccc3o2)nn1 ZINC000389822289 350853489 /nfs/dbraw/zinc/85/34/89/350853489.db2.gz GYLMQZDCWHMRRG-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cccnc1 ZINC000069794805 180514431 /nfs/dbraw/zinc/51/44/31/180514431.db2.gz PBJOMPSEINVDKO-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC000607119163 350922571 /nfs/dbraw/zinc/92/25/71/350922571.db2.gz HBGSNFWALKFYQX-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)C ZINC000052073544 350928883 /nfs/dbraw/zinc/92/88/83/350928883.db2.gz JXSWSDGPJOCSBE-SNVBAGLBSA-N 1 2 238.306 1.907 20 0 BDADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)C ZINC000052073544 350928887 /nfs/dbraw/zinc/92/88/87/350928887.db2.gz JXSWSDGPJOCSBE-SNVBAGLBSA-N 1 2 238.306 1.907 20 0 BDADLO CC(C)CC[N@H+](C)Cc1nnnn1C1CC1 ZINC000052245450 350976625 /nfs/dbraw/zinc/97/66/25/350976625.db2.gz UWSWQSGQEYIMGT-UHFFFAOYSA-N 1 2 223.324 1.486 20 0 BDADLO CC(C)CC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000052245450 350976629 /nfs/dbraw/zinc/97/66/29/350976629.db2.gz UWSWQSGQEYIMGT-UHFFFAOYSA-N 1 2 223.324 1.486 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607147512 350947808 /nfs/dbraw/zinc/94/78/08/350947808.db2.gz SQRXYCMTIDZSQV-MNOVXSKESA-N 1 2 243.314 1.897 20 0 BDADLO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000398336804 351037015 /nfs/dbraw/zinc/03/70/15/351037015.db2.gz TUUIYJRDDCXAQS-PSASIEDQSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000398336804 351037017 /nfs/dbraw/zinc/03/70/17/351037017.db2.gz TUUIYJRDDCXAQS-PSASIEDQSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000398336805 351037052 /nfs/dbraw/zinc/03/70/52/351037052.db2.gz TUUIYJRDDCXAQS-SCZZXKLOSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000398336805 351037054 /nfs/dbraw/zinc/03/70/54/351037054.db2.gz TUUIYJRDDCXAQS-SCZZXKLOSA-N 1 2 208.309 1.719 20 0 BDADLO Cc1c[nH]c(CN2CCCC(F)(F)C2)[nH+]1 ZINC000628323591 351234496 /nfs/dbraw/zinc/23/44/96/351234496.db2.gz CLDDXFQAHZEROL-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000264595908 351245816 /nfs/dbraw/zinc/24/58/16/351245816.db2.gz SMZUNRDMRQOKQR-JTQLQIEISA-N 1 2 229.283 1.863 20 0 BDADLO CCCCc1cc(NC[C@@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000631239783 351281857 /nfs/dbraw/zinc/28/18/57/351281857.db2.gz BTBRVRNYCDUXJL-DGCLKSJQSA-N 1 2 249.358 1.814 20 0 BDADLO CC1(C)CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000267366898 351307901 /nfs/dbraw/zinc/30/79/01/351307901.db2.gz DTLQYBMFVSMWCL-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO COCCC1C[NH+](Cc2nc(C)c[nH]2)C1 ZINC000628337748 351279787 /nfs/dbraw/zinc/27/97/87/351279787.db2.gz PUQLSUKEDQZGSN-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269458907 351357136 /nfs/dbraw/zinc/35/71/36/351357136.db2.gz FUEZZTSAWCDEPM-NXEZZACHSA-N 1 2 241.360 1.529 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308426317 363070361 /nfs/dbraw/zinc/07/03/61/363070361.db2.gz SKRXNNFTVRWUFT-VHSXEESVSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)s1 ZINC000088094498 351597093 /nfs/dbraw/zinc/59/70/93/351597093.db2.gz AZCNTUVQNCSLHN-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)s1 ZINC000088094498 351597097 /nfs/dbraw/zinc/59/70/97/351597097.db2.gz AZCNTUVQNCSLHN-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000577701883 366038534 /nfs/dbraw/zinc/03/85/34/366038534.db2.gz GJLYENAXWXWWQU-GHMZBOCLSA-N 1 2 235.287 1.111 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccco1 ZINC000607651346 351824921 /nfs/dbraw/zinc/82/49/21/351824921.db2.gz SCUQHHOHTHKRIF-SNVBAGLBSA-N 1 2 245.282 1.663 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1ccns1 ZINC000637964391 351836684 /nfs/dbraw/zinc/83/66/84/351836684.db2.gz KNVSLCQEHHAJFQ-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccns1 ZINC000637964391 351836687 /nfs/dbraw/zinc/83/66/87/351836687.db2.gz KNVSLCQEHHAJFQ-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nncn1C ZINC000037017395 358467042 /nfs/dbraw/zinc/46/70/42/358467042.db2.gz UNZATPCZYUWKNW-VHSXEESVSA-N 1 2 246.314 1.933 20 0 BDADLO CO[C@@H](C[N@H+](C)CC(F)F)C1CCOCC1 ZINC000637974500 351849941 /nfs/dbraw/zinc/84/99/41/351849941.db2.gz VETPFQORNGGRAK-JTQLQIEISA-N 1 2 237.290 1.625 20 0 BDADLO CO[C@@H](C[N@@H+](C)CC(F)F)C1CCOCC1 ZINC000637974500 351849943 /nfs/dbraw/zinc/84/99/43/351849943.db2.gz VETPFQORNGGRAK-JTQLQIEISA-N 1 2 237.290 1.625 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccccc1F ZINC000282778861 351943748 /nfs/dbraw/zinc/94/37/48/351943748.db2.gz PJZUIJABUXSJGR-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccccc1F ZINC000282778861 351943754 /nfs/dbraw/zinc/94/37/54/351943754.db2.gz PJZUIJABUXSJGR-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccns2)[C@H]1C ZINC000638084794 351963160 /nfs/dbraw/zinc/96/31/60/351963160.db2.gz MUGDMOYAZQNPTN-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccns2)[C@H]1C ZINC000638084794 351963163 /nfs/dbraw/zinc/96/31/63/351963163.db2.gz MUGDMOYAZQNPTN-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cnn(C)n1 ZINC000284233842 351994575 /nfs/dbraw/zinc/99/45/75/351994575.db2.gz FFKBPEORDDPGOG-UHFFFAOYSA-N 1 2 231.259 1.025 20 0 BDADLO CCc1nc(N2CC[C@@H](C)[C@H]2CO)cc(C)[nH+]1 ZINC000286693708 352100653 /nfs/dbraw/zinc/10/06/53/352100653.db2.gz NYSPGDRNGLZERU-MWLCHTKSSA-N 1 2 235.331 1.555 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn[nH]1)c1c(C)noc1C ZINC000340242601 352105636 /nfs/dbraw/zinc/10/56/36/352105636.db2.gz AINTWSIPHFMZCF-SNVBAGLBSA-N 1 2 235.291 1.650 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CC1(F)F ZINC000638329727 352150160 /nfs/dbraw/zinc/15/01/60/352150160.db2.gz QUSDXKOPHDOUBM-XPUUQOCRSA-N 1 2 201.220 1.543 20 0 BDADLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C1CC1 ZINC000291213696 352266853 /nfs/dbraw/zinc/26/68/53/352266853.db2.gz VTFOGBMWJWJYEU-ZDUSSCGKSA-N 1 2 247.342 1.989 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2ccns2)CCO1 ZINC000630072672 363156150 /nfs/dbraw/zinc/15/61/50/363156150.db2.gz HVZCXJRNEPPWCL-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2ccns2)CCO1 ZINC000630072672 363156151 /nfs/dbraw/zinc/15/61/51/363156151.db2.gz HVZCXJRNEPPWCL-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO CCC[N@H+](CCc1cncs1)CC(=O)OC ZINC000411181380 191170049 /nfs/dbraw/zinc/17/00/49/191170049.db2.gz OPCCCBQEVOSNTF-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCC[N@@H+](CCc1cncs1)CC(=O)OC ZINC000411181380 191170051 /nfs/dbraw/zinc/17/00/51/191170051.db2.gz OPCCCBQEVOSNTF-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411229224 191170342 /nfs/dbraw/zinc/17/03/42/191170342.db2.gz SVKYYUVJHYVCCJ-MRVPVSSYSA-N 1 2 240.307 1.059 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411229224 191170344 /nfs/dbraw/zinc/17/03/44/191170344.db2.gz SVKYYUVJHYVCCJ-MRVPVSSYSA-N 1 2 240.307 1.059 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC1(O)CCC1 ZINC000411224028 191171097 /nfs/dbraw/zinc/17/10/97/191171097.db2.gz DHRKYWORQVPBDL-UHFFFAOYSA-N 1 2 229.320 1.223 20 0 BDADLO CCC[N@H+](C)Cc1ccc(S(C)(=O)=O)o1 ZINC000411217083 191172105 /nfs/dbraw/zinc/17/21/05/191172105.db2.gz YDCZDBKRQZEDGE-UHFFFAOYSA-N 1 2 231.317 1.525 20 0 BDADLO CCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)o1 ZINC000411217083 191172107 /nfs/dbraw/zinc/17/21/07/191172107.db2.gz YDCZDBKRQZEDGE-UHFFFAOYSA-N 1 2 231.317 1.525 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]2O)c2c([nH+]1)CCCC2 ZINC000425288104 191181968 /nfs/dbraw/zinc/18/19/68/191181968.db2.gz TUYLMBHFPIXYPP-VXGBXAGGSA-N 1 2 233.315 1.599 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCOCC2CC2)[nH]1 ZINC000411323903 191179233 /nfs/dbraw/zinc/17/92/33/191179233.db2.gz FHQOEFGQYHGBSY-VIFPVBQESA-N 1 2 238.335 1.533 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCOCC2CC2)[nH]1 ZINC000411323903 191179236 /nfs/dbraw/zinc/17/92/36/191179236.db2.gz FHQOEFGQYHGBSY-VIFPVBQESA-N 1 2 238.335 1.533 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000336740597 352371410 /nfs/dbraw/zinc/37/14/10/352371410.db2.gz MLWIVMDFGZRNSH-HRDYMLBCSA-N 1 2 224.308 1.425 20 0 BDADLO O=C1CCCN1CCNc1cccc[nH+]1 ZINC000405464636 352381038 /nfs/dbraw/zinc/38/10/38/352381038.db2.gz ZXFAJFRPNXNMPM-UHFFFAOYSA-N 1 2 205.261 1.116 20 0 BDADLO CCCCCNC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000411527548 191191904 /nfs/dbraw/zinc/19/19/04/191191904.db2.gz QJYIRPDWPBPKBN-SNVBAGLBSA-N 1 2 239.319 1.632 20 0 BDADLO CC1(C)C[N@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000296715071 352455230 /nfs/dbraw/zinc/45/52/30/352455230.db2.gz IXAFSZKRRRVHCI-JTQLQIEISA-N 1 2 242.269 1.563 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000296715071 352455232 /nfs/dbraw/zinc/45/52/32/352455232.db2.gz IXAFSZKRRRVHCI-JTQLQIEISA-N 1 2 242.269 1.563 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333419093 180744398 /nfs/dbraw/zinc/74/43/98/180744398.db2.gz RJOOBJMZLRKZKI-ILWJIGKKSA-N 1 2 234.303 1.018 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C)CCC1 ZINC000270031668 180744849 /nfs/dbraw/zinc/74/48/49/180744849.db2.gz CELSPIGSEVQXGN-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC(C)(C)CO)[nH]1 ZINC000411770148 191210577 /nfs/dbraw/zinc/21/05/77/191210577.db2.gz CEEBRXUKIGQUMP-MRVPVSSYSA-N 1 2 226.324 1.124 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC(C)(C)CO)[nH]1 ZINC000411770148 191210580 /nfs/dbraw/zinc/21/05/80/191210580.db2.gz CEEBRXUKIGQUMP-MRVPVSSYSA-N 1 2 226.324 1.124 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)nn1C ZINC000411840449 191216236 /nfs/dbraw/zinc/21/62/36/191216236.db2.gz CVNJLRUEWHJINT-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)nn1C ZINC000411840449 191216238 /nfs/dbraw/zinc/21/62/38/191216238.db2.gz CVNJLRUEWHJINT-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc[nH]1 ZINC000008279074 352600359 /nfs/dbraw/zinc/60/03/59/352600359.db2.gz ZZQWHDWUUQOVCH-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nnnn2C2CC2)o1 ZINC000608068699 352664940 /nfs/dbraw/zinc/66/49/40/352664940.db2.gz XLSFWVMIMIETKM-UHFFFAOYSA-N 1 2 233.275 1.199 20 0 BDADLO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000411892884 191223823 /nfs/dbraw/zinc/22/38/23/191223823.db2.gz LUOFCOBSZIECFU-KGLIPLIRSA-N 1 2 243.310 1.812 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411949085 191232212 /nfs/dbraw/zinc/23/22/12/191232212.db2.gz NZHSYFNKOOYLPT-SKDRFNHKSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nnsc1CNc1ccc(N(C)C)c[nH+]1 ZINC000638759392 352695415 /nfs/dbraw/zinc/69/54/15/352695415.db2.gz IPZZOXZDYCZCAB-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CO[C@@](C)([C@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000411970896 191235442 /nfs/dbraw/zinc/23/54/42/191235442.db2.gz NWRSNQKDOWZVJW-CABZTGNLSA-N 1 2 223.320 1.703 20 0 BDADLO Cc1nc(N2CCC[C@@H](c3cc[nH]n3)C2)cc[nH+]1 ZINC000608080445 352728498 /nfs/dbraw/zinc/72/84/98/352728498.db2.gz ABICVDXYGOKORZ-LLVKDONJSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1ncccc1F ZINC000638778861 352728765 /nfs/dbraw/zinc/72/87/65/352728765.db2.gz HXKWJGKBDVPVPN-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCC1CC1 ZINC000266543941 352734255 /nfs/dbraw/zinc/73/42/55/352734255.db2.gz RAVXHQYMSRZZQW-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO CCOC1CC(CNc2ccc(OC)c[nH+]2)C1 ZINC000638781994 352734937 /nfs/dbraw/zinc/73/49/37/352734937.db2.gz WVHCGQRPVBLQCZ-UHFFFAOYSA-N 1 2 236.315 1.739 20 0 BDADLO CC[N@H+](Cc1nc(Cn2cccn2)no1)C1CC1 ZINC000342154192 352738933 /nfs/dbraw/zinc/73/89/33/352738933.db2.gz CIIDCSBZAFGXKI-UHFFFAOYSA-N 1 2 247.302 1.299 20 0 BDADLO CC[N@@H+](Cc1nc(Cn2cccn2)no1)C1CC1 ZINC000342154192 352738936 /nfs/dbraw/zinc/73/89/36/352738936.db2.gz CIIDCSBZAFGXKI-UHFFFAOYSA-N 1 2 247.302 1.299 20 0 BDADLO OCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000334180425 352768348 /nfs/dbraw/zinc/76/83/48/352768348.db2.gz DBENAASNMBMETQ-GFCCVEGCSA-N 1 2 245.244 1.828 20 0 BDADLO OCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000334180425 352768352 /nfs/dbraw/zinc/76/83/52/352768352.db2.gz DBENAASNMBMETQ-GFCCVEGCSA-N 1 2 245.244 1.828 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000334220967 352823730 /nfs/dbraw/zinc/82/37/30/352823730.db2.gz WBVCALQXAPTHCY-BDAKNGLRSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000334220967 352823734 /nfs/dbraw/zinc/82/37/34/352823734.db2.gz WBVCALQXAPTHCY-BDAKNGLRSA-N 1 2 207.277 1.462 20 0 BDADLO CC(C)(O)[C@H]1CCCN1c1cccc[nH+]1 ZINC000302110897 187883706 /nfs/dbraw/zinc/88/37/06/187883706.db2.gz AFMCHOGGKXLUOD-SNVBAGLBSA-N 1 2 206.289 1.821 20 0 BDADLO CCc1csc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000334211572 352808364 /nfs/dbraw/zinc/80/83/64/352808364.db2.gz HDGJWHUDDHJGTK-SECBINFHSA-N 1 2 239.344 1.738 20 0 BDADLO CCc1csc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000334211572 352808368 /nfs/dbraw/zinc/80/83/68/352808368.db2.gz HDGJWHUDDHJGTK-SECBINFHSA-N 1 2 239.344 1.738 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC12CCCC2 ZINC000334247579 352839233 /nfs/dbraw/zinc/83/92/33/352839233.db2.gz MCGCFYMDSZSKBA-SNVBAGLBSA-N 1 2 219.288 1.332 20 0 BDADLO C1C[C@@]2(CN1[NH2+]C1CCOCC1)CCCOC2 ZINC000367434957 187898326 /nfs/dbraw/zinc/89/83/26/187898326.db2.gz AJWJDPXPIPBGKH-CYBMUJFWSA-N 1 2 240.347 1.173 20 0 BDADLO COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccn1 ZINC000342859321 352878784 /nfs/dbraw/zinc/87/87/84/352878784.db2.gz INUVYEAOXJDBRM-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cc(C[N@H+]2CCOC(C)(C)C2)ccn1 ZINC000342859321 352878786 /nfs/dbraw/zinc/87/87/86/352878786.db2.gz INUVYEAOXJDBRM-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)n1C ZINC000334262957 352896268 /nfs/dbraw/zinc/89/62/68/352896268.db2.gz JIUFMTNWHWDMMF-UWVGGRQHSA-N 1 2 206.293 1.108 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]32)n1C ZINC000334262957 352896269 /nfs/dbraw/zinc/89/62/69/352896269.db2.gz JIUFMTNWHWDMMF-UWVGGRQHSA-N 1 2 206.293 1.108 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000334263367 352897377 /nfs/dbraw/zinc/89/73/77/352897377.db2.gz JPQZYNSTTYBEFS-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000334263367 352897379 /nfs/dbraw/zinc/89/73/79/352897379.db2.gz JPQZYNSTTYBEFS-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1nc(N2CCC[C@@H](O)CC2)cc[nH+]1 ZINC000294153626 187921921 /nfs/dbraw/zinc/92/19/21/187921921.db2.gz REGMWFBDVVFOPI-SNVBAGLBSA-N 1 2 207.277 1.136 20 0 BDADLO O[C@]1(C(F)(F)F)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000334355239 352993888 /nfs/dbraw/zinc/99/38/88/352993888.db2.gz AKFCNAVFUYFCBX-SECBINFHSA-N 1 2 249.236 1.299 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOCC12CC2 ZINC000334317246 352947971 /nfs/dbraw/zinc/94/79/71/352947971.db2.gz QBKNSNSFVJFMDW-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1nocc1C[N@H+]1CCOCC12CC2 ZINC000334317246 352947974 /nfs/dbraw/zinc/94/79/74/352947974.db2.gz QBKNSNSFVJFMDW-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO CS[C@@H]1CCCC[N@H+](Cc2c[nH]nn2)C1 ZINC000334369727 353017857 /nfs/dbraw/zinc/01/78/57/353017857.db2.gz UYZGWVSRZXIETP-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@@H]1CCCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000334369727 353017860 /nfs/dbraw/zinc/01/78/60/353017860.db2.gz UYZGWVSRZXIETP-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@@H]1CCCC[N@H+](Cc2cnn[nH]2)C1 ZINC000334369727 353017863 /nfs/dbraw/zinc/01/78/63/353017863.db2.gz UYZGWVSRZXIETP-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@@H]1CCCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000334369727 353017866 /nfs/dbraw/zinc/01/78/66/353017866.db2.gz UYZGWVSRZXIETP-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@@H]1CCCC[N@H+](Cc2cn[nH]n2)C1 ZINC000334369727 353017869 /nfs/dbraw/zinc/01/78/69/353017869.db2.gz UYZGWVSRZXIETP-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@@H]1CCCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000334369727 353017873 /nfs/dbraw/zinc/01/78/73/353017873.db2.gz UYZGWVSRZXIETP-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CCc1nn(C)cc1CNc1[nH+]cccc1OC ZINC000092416237 538106945 /nfs/dbraw/zinc/10/69/45/538106945.db2.gz CWXFEKDRBQFFIX-UHFFFAOYSA-N 1 2 246.314 1.998 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)Cn1cccn1 ZINC000335532593 188000130 /nfs/dbraw/zinc/00/01/30/188000130.db2.gz XFCKOAYMIQKLBI-UHFFFAOYSA-N 1 2 230.271 1.534 20 0 BDADLO CC(C)[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000108852085 188000407 /nfs/dbraw/zinc/00/04/07/188000407.db2.gz RXPIKMFFKSOWEZ-UHFFFAOYSA-N 1 2 246.314 1.395 20 0 BDADLO CC(C)[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000108852085 188000411 /nfs/dbraw/zinc/00/04/11/188000411.db2.gz RXPIKMFFKSOWEZ-UHFFFAOYSA-N 1 2 246.314 1.395 20 0 BDADLO O=c1ccc(C[N@H+]2CCC=C(F)C2)c[nH]1 ZINC000638937486 353111538 /nfs/dbraw/zinc/11/15/38/353111538.db2.gz HGZVKRDGZFCBOO-UHFFFAOYSA-N 1 2 208.236 1.846 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC=C(F)C2)c[nH]1 ZINC000638937486 353111542 /nfs/dbraw/zinc/11/15/42/353111542.db2.gz HGZVKRDGZFCBOO-UHFFFAOYSA-N 1 2 208.236 1.846 20 0 BDADLO CC(C)c1nc(N[C@H](CCO)C(C)C)cc[nH+]1 ZINC000608091365 353112604 /nfs/dbraw/zinc/11/26/04/353112604.db2.gz SLTXXTWLHGMPAL-LLVKDONJSA-N 1 2 237.347 1.841 20 0 BDADLO Cn1c[nH+]cc1CN(CC(F)F)C1CC1 ZINC000177061502 187994232 /nfs/dbraw/zinc/99/42/32/187994232.db2.gz NGHHCPJQMRAIMF-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)n1 ZINC000334417883 353101356 /nfs/dbraw/zinc/10/13/56/353101356.db2.gz RGFUIOSKRVVQAV-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)n1 ZINC000334417883 353101357 /nfs/dbraw/zinc/10/13/57/353101357.db2.gz RGFUIOSKRVVQAV-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](CCC)C2)cn1 ZINC000193979529 188005805 /nfs/dbraw/zinc/00/58/05/188005805.db2.gz LDXFNFJMXLPIRG-ZDUSSCGKSA-N 1 2 235.331 1.985 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](CCC)C2)cn1 ZINC000193979529 188005807 /nfs/dbraw/zinc/00/58/07/188005807.db2.gz LDXFNFJMXLPIRG-ZDUSSCGKSA-N 1 2 235.331 1.985 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000365338899 188009427 /nfs/dbraw/zinc/00/94/27/188009427.db2.gz VJNWEGMIEVHKPJ-ZDUSSCGKSA-N 1 2 233.315 1.594 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000365338899 188009428 /nfs/dbraw/zinc/00/94/28/188009428.db2.gz VJNWEGMIEVHKPJ-ZDUSSCGKSA-N 1 2 233.315 1.594 20 0 BDADLO CCc1noc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000092976340 538108338 /nfs/dbraw/zinc/10/83/38/538108338.db2.gz LTNYBQGWABPGSS-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO CCc1noc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000092976340 538108339 /nfs/dbraw/zinc/10/83/39/538108339.db2.gz LTNYBQGWABPGSS-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO Cc1ccnc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000336706487 188011357 /nfs/dbraw/zinc/01/13/57/188011357.db2.gz RSOWXGOSRFVESN-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000336706487 188011359 /nfs/dbraw/zinc/01/13/59/188011359.db2.gz RSOWXGOSRFVESN-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)C[C@@H](C)C[N@H+](C)Cc1nnc[nH]1 ZINC000337172952 188013748 /nfs/dbraw/zinc/01/37/48/188013748.db2.gz GVXDNFGSQKKEAC-SNVBAGLBSA-N 1 2 210.325 1.919 20 0 BDADLO CC(C)C[C@@H](C)C[N@@H+](C)Cc1nnc[nH]1 ZINC000337172952 188013750 /nfs/dbraw/zinc/01/37/50/188013750.db2.gz GVXDNFGSQKKEAC-SNVBAGLBSA-N 1 2 210.325 1.919 20 0 BDADLO CC(C)COCC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000337486347 188014275 /nfs/dbraw/zinc/01/42/75/188014275.db2.gz ZGCIISYBYHEFJM-LRDDRELGSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)COCC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000337486347 188014277 /nfs/dbraw/zinc/01/42/77/188014277.db2.gz ZGCIISYBYHEFJM-LRDDRELGSA-N 1 2 247.404 1.502 20 0 BDADLO CC(=O)CCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000337510719 188015456 /nfs/dbraw/zinc/01/54/56/188015456.db2.gz UYVWOVHYDVRZSS-UHFFFAOYSA-N 1 2 249.314 1.133 20 0 BDADLO CC(C)(C)c1noc(CCn2cc[nH+]c2)n1 ZINC000265039361 188021905 /nfs/dbraw/zinc/02/19/05/188021905.db2.gz QIAOQNUAKNKAFX-UHFFFAOYSA-N 1 2 220.276 1.806 20 0 BDADLO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000267238240 188022075 /nfs/dbraw/zinc/02/20/75/188022075.db2.gz RJBDPPUYTRQZIN-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccncc2)[C@@H](C)C1 ZINC000268738770 188023502 /nfs/dbraw/zinc/02/35/02/188023502.db2.gz ZBNRLKVZZXCLHF-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccncc2)[C@@H](C)C1 ZINC000268738770 188023504 /nfs/dbraw/zinc/02/35/04/188023504.db2.gz ZBNRLKVZZXCLHF-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccccn2)[C@@H](C)C1 ZINC000268667126 188023827 /nfs/dbraw/zinc/02/38/27/188023827.db2.gz JNXJRGVQYYXNTB-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccccn2)[C@@H](C)C1 ZINC000268667126 188023828 /nfs/dbraw/zinc/02/38/28/188023828.db2.gz JNXJRGVQYYXNTB-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(C)(F)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271069772 188025622 /nfs/dbraw/zinc/02/56/22/188025622.db2.gz KTEPAAMQCPOSQP-VIFPVBQESA-N 1 2 239.294 1.864 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269835638 188025729 /nfs/dbraw/zinc/02/57/29/188025729.db2.gz CAQYDLPAQVWQBO-NDZKXSSTSA-N 1 2 245.326 1.743 20 0 BDADLO Cn1cnc2cc(C[NH+]3CCOCC3)ccc21 ZINC000271833903 188025879 /nfs/dbraw/zinc/02/58/79/188025879.db2.gz RMMWDXWJUYVENN-UHFFFAOYSA-N 1 2 231.299 1.406 20 0 BDADLO Cc1ccc(Cc2noc([C@@H]3CCOC3)n2)c[nH+]1 ZINC000274013593 188026850 /nfs/dbraw/zinc/02/68/50/188026850.db2.gz WKSZURYQBQCDFH-LLVKDONJSA-N 1 2 245.282 1.868 20 0 BDADLO CC(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272897632 188027229 /nfs/dbraw/zinc/02/72/29/188027229.db2.gz OXUMXYHEKKZCRK-UHFFFAOYSA-N 1 2 248.330 1.212 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000274310136 188027907 /nfs/dbraw/zinc/02/79/07/188027907.db2.gz VALYQQQPKMCNCR-JTQLQIEISA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCc1ncc(C)cn1 ZINC000340102233 188032890 /nfs/dbraw/zinc/03/28/90/188032890.db2.gz CXYNCAPUNZAWJV-UHFFFAOYSA-N 1 2 231.303 1.149 20 0 BDADLO Cc1noc([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000286228851 188034866 /nfs/dbraw/zinc/03/48/66/188034866.db2.gz AZTAUMUOXCFZGN-JTQLQIEISA-N 1 2 245.286 1.818 20 0 BDADLO Cc1nc(N2CCC[C@@H]2c2cc[nH]n2)cc[nH+]1 ZINC000287848085 188035081 /nfs/dbraw/zinc/03/50/81/188035081.db2.gz RWMBJTSQSMOVLJ-LLVKDONJSA-N 1 2 229.287 1.850 20 0 BDADLO Cc1ccnc(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000287637647 188035160 /nfs/dbraw/zinc/03/51/60/188035160.db2.gz VNPXINWHXAFJQX-UHFFFAOYSA-N 1 2 245.286 1.743 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000334475371 353119346 /nfs/dbraw/zinc/11/93/46/353119346.db2.gz MCEAHIAJBCDJLQ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@@](C)(F)C2)n1 ZINC000334475371 353119348 /nfs/dbraw/zinc/11/93/48/353119348.db2.gz MCEAHIAJBCDJLQ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000297484450 188041045 /nfs/dbraw/zinc/04/10/45/188041045.db2.gz SQFVNXAIRYMABV-UHFFFAOYSA-N 1 2 236.290 1.454 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000335937895 188004191 /nfs/dbraw/zinc/00/41/91/188004191.db2.gz PNYKFLSGUHTCSJ-CQSZACIVSA-N 1 2 215.362 1.796 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000335937895 188004193 /nfs/dbraw/zinc/00/41/93/188004193.db2.gz PNYKFLSGUHTCSJ-CQSZACIVSA-N 1 2 215.362 1.796 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000191950134 188004953 /nfs/dbraw/zinc/00/49/53/188004953.db2.gz IUTDDSRLDLKUNK-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000191950134 188004954 /nfs/dbraw/zinc/00/49/54/188004954.db2.gz IUTDDSRLDLKUNK-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO C[C@H](Cc1ccccc1F)[NH2+]Cc1c[nH]nn1 ZINC000398285447 363204606 /nfs/dbraw/zinc/20/46/06/363204606.db2.gz IUWSCDGJIGBQOY-SECBINFHSA-N 1 2 234.278 1.665 20 0 BDADLO C[C@H](Cc1ccccc1F)[NH2+]Cc1cn[nH]n1 ZINC000398285447 363204610 /nfs/dbraw/zinc/20/46/10/363204610.db2.gz IUWSCDGJIGBQOY-SECBINFHSA-N 1 2 234.278 1.665 20 0 BDADLO c1cn(C2CN(c3ncnc4c3CCC4)C2)c[nH+]1 ZINC000532088142 353158584 /nfs/dbraw/zinc/15/85/84/353158584.db2.gz IDFMLSJIAOXRHI-UHFFFAOYSA-N 1 2 241.298 1.223 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CC[C@H](C)S(=O)(=O)CC1 ZINC000336271391 188053970 /nfs/dbraw/zinc/05/39/70/188053970.db2.gz QIARYUYTUNLLDX-RYUDHWBXSA-N 1 2 247.404 1.930 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CC[C@H](C)S(=O)(=O)CC1 ZINC000336271391 188053972 /nfs/dbraw/zinc/05/39/72/188053972.db2.gz QIARYUYTUNLLDX-RYUDHWBXSA-N 1 2 247.404 1.930 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@@H+]1CCCSCC1 ZINC000336508558 188056929 /nfs/dbraw/zinc/05/69/29/188056929.db2.gz IYMJNOPRKHMHIN-UHFFFAOYSA-N 1 2 238.360 1.621 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@H+]1CCCSCC1 ZINC000336508558 188056930 /nfs/dbraw/zinc/05/69/30/188056930.db2.gz IYMJNOPRKHMHIN-UHFFFAOYSA-N 1 2 238.360 1.621 20 0 BDADLO CC[N@@H+](Cc1nc(C)no1)C[C@H]1CCCO1 ZINC000051555094 353178701 /nfs/dbraw/zinc/17/87/01/353178701.db2.gz LGLDQRKTUQTTKB-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1nc(C)no1)C[C@H]1CCCO1 ZINC000051555094 353178704 /nfs/dbraw/zinc/17/87/04/353178704.db2.gz LGLDQRKTUQTTKB-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]2CCCO)no1 ZINC000052762551 353218695 /nfs/dbraw/zinc/21/86/95/353218695.db2.gz BFXYJDZXSQQLHM-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]2CCCO)no1 ZINC000052762551 353218698 /nfs/dbraw/zinc/21/86/98/353218698.db2.gz BFXYJDZXSQQLHM-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291190081 538110615 /nfs/dbraw/zinc/11/06/15/538110615.db2.gz CUNBSZHXPZNUKJ-WDEREUQCSA-N 1 2 221.304 1.328 20 0 BDADLO Cc1cnc(NCc2c[nH+]cn2C)nc1C ZINC000291128436 538110635 /nfs/dbraw/zinc/11/06/35/538110635.db2.gz MVGWYGTWSFCDPV-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)cs1 ZINC000638995276 353236359 /nfs/dbraw/zinc/23/63/59/353236359.db2.gz ZVAAODDRTUZZLZ-MRVPVSSYSA-N 1 2 228.342 1.658 20 0 BDADLO CCOC[C@@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225834137 538114180 /nfs/dbraw/zinc/11/41/80/538114180.db2.gz HXIUAHIXOZVSQE-SECBINFHSA-N 1 2 210.277 1.927 20 0 BDADLO CCN(C[C@@H](C)O)c1cc(C)[nH+]c(C2CC2)n1 ZINC000343273445 353301249 /nfs/dbraw/zinc/30/12/49/353301249.db2.gz WSJJNHHNHOPYOC-SNVBAGLBSA-N 1 2 235.331 1.870 20 0 BDADLO CCc1cc(NCc2cn(C)nc2C)nc[nH+]1 ZINC000168939862 538114988 /nfs/dbraw/zinc/11/49/88/538114988.db2.gz GGISKSGVHWEZLZ-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)C1CCCCC1 ZINC000334501122 353331516 /nfs/dbraw/zinc/33/15/16/353331516.db2.gz HXVCLLMRPHKZQY-UHFFFAOYSA-N 1 2 242.344 1.668 20 0 BDADLO c1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)on1 ZINC000639041940 353322003 /nfs/dbraw/zinc/32/20/03/353322003.db2.gz QEJQXSUZIKWLKP-UHFFFAOYSA-N 1 2 247.254 1.131 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CCCOC1 ZINC000343280041 353324266 /nfs/dbraw/zinc/32/42/66/353324266.db2.gz ZMVXCVUJWOEHFS-LLVKDONJSA-N 1 2 233.315 1.969 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@@H]1CC1(F)F ZINC000639054483 353353178 /nfs/dbraw/zinc/35/31/78/353353178.db2.gz TWZYLESZQFXGFJ-RITPCOANSA-N 1 2 215.190 1.247 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)[C@H]1CC1(F)F ZINC000639084548 353422123 /nfs/dbraw/zinc/42/21/23/353422123.db2.gz PBCJIVUOMPFJBO-GJMOJQLCSA-N 1 2 230.262 1.509 20 0 BDADLO c1[nH]nnc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000398331378 363222545 /nfs/dbraw/zinc/22/25/45/363222545.db2.gz AQODIZSMGCQTHW-UHFFFAOYSA-N 1 2 228.299 1.841 20 0 BDADLO c1n[nH]nc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000398331378 363222548 /nfs/dbraw/zinc/22/25/48/363222548.db2.gz AQODIZSMGCQTHW-UHFFFAOYSA-N 1 2 228.299 1.841 20 0 BDADLO O[C@@H]1C[N@H+](CCC[C@H]2CCO2)CC(F)(F)C1 ZINC000639096052 353483017 /nfs/dbraw/zinc/48/30/17/353483017.db2.gz ZQTTUQFSIWPTDP-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1C[N@@H+](CCC[C@H]2CCO2)CC(F)(F)C1 ZINC000639096052 353483018 /nfs/dbraw/zinc/48/30/18/353483018.db2.gz ZQTTUQFSIWPTDP-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO CC[C@H]([NH2+]Cc1c[nH]nn1)C1CCCC1 ZINC000398400391 363230652 /nfs/dbraw/zinc/23/06/52/363230652.db2.gz MODDFOQKELPVMF-NSHDSACASA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@H]([NH2+]Cc1cn[nH]n1)C1CCCC1 ZINC000398400391 363230655 /nfs/dbraw/zinc/23/06/55/363230655.db2.gz MODDFOQKELPVMF-NSHDSACASA-N 1 2 208.309 1.863 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(C)cc1F ZINC000639100049 353508247 /nfs/dbraw/zinc/50/82/47/353508247.db2.gz YQCPIXPRBADRFO-UHFFFAOYSA-N 1 2 224.279 1.441 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(C)cc1F ZINC000639100049 353508250 /nfs/dbraw/zinc/50/82/50/353508250.db2.gz YQCPIXPRBADRFO-UHFFFAOYSA-N 1 2 224.279 1.441 20 0 BDADLO Cc1nc(N[C@H](C)c2[nH]cc[nH+]2)ccc1C#N ZINC000383505870 353583314 /nfs/dbraw/zinc/58/33/14/353583314.db2.gz ZYXAAKDGSXOLEP-SECBINFHSA-N 1 2 227.271 1.580 20 0 BDADLO Fc1cccc([C@H]2CC[N@H+](Cc3cnn[nH]3)C2)c1 ZINC000297327804 181003524 /nfs/dbraw/zinc/00/35/24/181003524.db2.gz ZYPALDVVRZYURH-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)c1 ZINC000297327804 181003528 /nfs/dbraw/zinc/00/35/28/181003528.db2.gz ZYPALDVVRZYURH-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@H]2CC[N@H+](Cc3c[nH]nn3)C2)c1 ZINC000297327804 181003530 /nfs/dbraw/zinc/00/35/30/181003530.db2.gz ZYPALDVVRZYURH-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)c1 ZINC000297327804 181003531 /nfs/dbraw/zinc/00/35/31/181003531.db2.gz ZYPALDVVRZYURH-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@H]2CC[N@H+](Cc3cn[nH]n3)C2)c1 ZINC000297327804 181003532 /nfs/dbraw/zinc/00/35/32/181003532.db2.gz ZYPALDVVRZYURH-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)c1 ZINC000297327804 181003535 /nfs/dbraw/zinc/00/35/35/181003535.db2.gz ZYPALDVVRZYURH-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1CC[NH2+]Cc1ccn[nH]1 ZINC000036900025 181012002 /nfs/dbraw/zinc/01/20/02/181012002.db2.gz BVBWEJALYYDDFP-UHFFFAOYSA-N 1 2 219.263 1.881 20 0 BDADLO Cc1cc(NC(=O)NCC(C)(F)F)c(C)c[nH+]1 ZINC000577935663 366112060 /nfs/dbraw/zinc/11/20/60/366112060.db2.gz SIUKSUWEQKHMNM-UHFFFAOYSA-N 1 2 243.257 1.897 20 0 BDADLO Fc1ccccc1CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368326325 181011090 /nfs/dbraw/zinc/01/10/90/181011090.db2.gz CNFAKGCFZVGZBH-QWHCGFSZSA-N 1 2 221.275 1.841 20 0 BDADLO Fc1ccccc1CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368326325 181011093 /nfs/dbraw/zinc/01/10/93/181011093.db2.gz CNFAKGCFZVGZBH-QWHCGFSZSA-N 1 2 221.275 1.841 20 0 BDADLO Cc1cn2ccc(C(=O)NCCCCO)cc2[nH+]1 ZINC000623173692 353813728 /nfs/dbraw/zinc/81/37/28/353813728.db2.gz PXQRKVKSCAQRDL-UHFFFAOYSA-N 1 2 247.298 1.145 20 0 BDADLO CO[C@@H](C[NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000639126866 353829139 /nfs/dbraw/zinc/82/91/39/353829139.db2.gz JGPFKQNOGNNHQW-JTQLQIEISA-N 1 2 237.303 1.462 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ncccc1F ZINC000343398731 353877893 /nfs/dbraw/zinc/87/78/93/353877893.db2.gz GKNPJGJKTYGDLR-QMMMGPOBSA-N 1 2 248.261 1.364 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343449995 353892652 /nfs/dbraw/zinc/89/26/52/353892652.db2.gz REXRALOQZXCBBL-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc[nH+]1 ZINC000343553945 353920453 /nfs/dbraw/zinc/92/04/53/353920453.db2.gz VKYUUVJCFVJXSS-QJPTWQEYSA-N 1 2 247.342 1.807 20 0 BDADLO C[N@H+](CC[C@H]1CCCO1)Cc1csnn1 ZINC000343477326 353902365 /nfs/dbraw/zinc/90/23/65/353902365.db2.gz VSNHEFCTMNIMFR-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO C[N@@H+](CC[C@H]1CCCO1)Cc1csnn1 ZINC000343477326 353902366 /nfs/dbraw/zinc/90/23/66/353902366.db2.gz VSNHEFCTMNIMFR-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(C(C)C)CC1 ZINC000343735056 353990210 /nfs/dbraw/zinc/99/02/10/353990210.db2.gz DZWWDFJMUIKLEX-UHFFFAOYSA-N 1 2 235.331 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1(C(C)C)CC1 ZINC000343735056 353990214 /nfs/dbraw/zinc/99/02/14/353990214.db2.gz DZWWDFJMUIKLEX-UHFFFAOYSA-N 1 2 235.331 1.813 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000343787563 353993360 /nfs/dbraw/zinc/99/33/60/353993360.db2.gz RBQDCGOGZBVLSG-GHMZBOCLSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000343787563 353993365 /nfs/dbraw/zinc/99/33/65/353993365.db2.gz RBQDCGOGZBVLSG-GHMZBOCLSA-N 1 2 248.330 1.524 20 0 BDADLO CCC(CC)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449647192 201994615 /nfs/dbraw/zinc/99/46/15/201994615.db2.gz CYPRLCCCJSNMRW-JTQLQIEISA-N 1 2 248.317 1.784 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C(=O)OC ZINC000343814479 354012608 /nfs/dbraw/zinc/01/26/08/354012608.db2.gz LFAAAFCVWPIECC-HBNTYKKESA-N 1 2 245.363 1.571 20 0 BDADLO C[C@@H](O)[C@H](C)SCCn1cc[nH+]c1 ZINC000230355669 363305067 /nfs/dbraw/zinc/30/50/67/363305067.db2.gz AOCIJVUFBZUHNU-BDAKNGLRSA-N 1 2 200.307 1.386 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000343980041 354057242 /nfs/dbraw/zinc/05/72/42/354057242.db2.gz HDEHKCSVEZRISJ-KOLCDFICSA-N 1 2 221.304 1.267 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000344084231 354136283 /nfs/dbraw/zinc/13/62/83/354136283.db2.gz CYYIEVAHJLXXLZ-GRYCIOLGSA-N 1 2 247.342 1.560 20 0 BDADLO COc1cc(C)ccc1C[NH+]1CCN(C)CC1 ZINC000334578235 354123280 /nfs/dbraw/zinc/12/32/80/354123280.db2.gz VQPZPCOUHQNLSY-UHFFFAOYSA-N 1 2 234.343 1.751 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](CO)C[C@@H]2C)no1 ZINC000344138357 354151481 /nfs/dbraw/zinc/15/14/81/354151481.db2.gz XSSMWXYITHNXFS-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](CO)C[C@@H]2C)no1 ZINC000344138357 354151485 /nfs/dbraw/zinc/15/14/85/354151485.db2.gz XSSMWXYITHNXFS-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCc1ccccc1O ZINC000344208057 354164135 /nfs/dbraw/zinc/16/41/35/354164135.db2.gz JDWMAFVBFGJYJB-UHFFFAOYSA-N 1 2 246.314 1.195 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCc1ccccc1O ZINC000344208057 354164138 /nfs/dbraw/zinc/16/41/38/354164138.db2.gz JDWMAFVBFGJYJB-UHFFFAOYSA-N 1 2 246.314 1.195 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@@H](C)SC(C)C)CC1 ZINC000344194408 354180516 /nfs/dbraw/zinc/18/05/16/354180516.db2.gz NKEYQPPBALVBBC-LLVKDONJSA-N 1 2 244.404 1.681 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)nn2C)C[C@H](C)O1 ZINC000334595881 354229223 /nfs/dbraw/zinc/22/92/23/354229223.db2.gz HHFXLYCIKIFOHT-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)nn2C)C[C@H](C)O1 ZINC000334595881 354229229 /nfs/dbraw/zinc/22/92/29/354229229.db2.gz HHFXLYCIKIFOHT-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000334596240 354230283 /nfs/dbraw/zinc/23/02/83/354230283.db2.gz MIEYOZXNTJKIDK-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CC=CC1 ZINC000334596963 354230756 /nfs/dbraw/zinc/23/07/56/354230756.db2.gz UTWPTGZZKCQBAT-NSHDSACASA-N 1 2 231.299 1.280 20 0 BDADLO C[C@H]1CSCC[N@H+](Cc2csnn2)C1 ZINC000190849627 358485386 /nfs/dbraw/zinc/48/53/86/358485386.db2.gz VOLIGVUSWRSKCE-MRVPVSSYSA-N 1 2 229.374 1.723 20 0 BDADLO C[C@H]1CSCC[N@@H+](Cc2csnn2)C1 ZINC000190849627 358485392 /nfs/dbraw/zinc/48/53/92/358485392.db2.gz VOLIGVUSWRSKCE-MRVPVSSYSA-N 1 2 229.374 1.723 20 0 BDADLO Cn1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)n1 ZINC000344343883 354237545 /nfs/dbraw/zinc/23/75/45/354237545.db2.gz IKHYRAFDZYIPEU-CYBMUJFWSA-N 1 2 249.289 1.382 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000334604720 354285286 /nfs/dbraw/zinc/28/52/86/354285286.db2.gz MTJJHKKVMNGOEI-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000334604720 354285288 /nfs/dbraw/zinc/28/52/88/354285288.db2.gz MTJJHKKVMNGOEI-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO COC1(C)CN([C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639179668 354273498 /nfs/dbraw/zinc/27/34/98/354273498.db2.gz GTFYEMWDYQIUIN-NSHDSACASA-N 1 2 235.331 1.592 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C12CCC(CC1)C2 ZINC000344768710 354358597 /nfs/dbraw/zinc/35/85/97/354358597.db2.gz ANLBUBBXBMUAKP-DCBWTQNWSA-N 1 2 247.342 1.968 20 0 BDADLO CC(C)=CC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263550 354392886 /nfs/dbraw/zinc/39/28/86/354392886.db2.gz TUMVOAXSCNWFCA-LLVKDONJSA-N 1 2 245.388 1.850 20 0 BDADLO CC(C)=CC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263550 354392890 /nfs/dbraw/zinc/39/28/90/354392890.db2.gz TUMVOAXSCNWFCA-LLVKDONJSA-N 1 2 245.388 1.850 20 0 BDADLO COC1(C)C[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000334645562 354434965 /nfs/dbraw/zinc/43/49/65/354434965.db2.gz OQXOZKVEWCTLSH-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO Cn1ncc2c1CCC[N@H+](Cc1nccs1)C2 ZINC000334645874 354435877 /nfs/dbraw/zinc/43/58/77/354435877.db2.gz PQGFNERVHDUQBL-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1ncc2c1CCC[N@@H+](Cc1nccs1)C2 ZINC000334645874 354435880 /nfs/dbraw/zinc/43/58/80/354435880.db2.gz PQGFNERVHDUQBL-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cc1cccn2c(C[NH+]3CC(C)(CO)C3)cnc12 ZINC000334643953 354401421 /nfs/dbraw/zinc/40/14/21/354401421.db2.gz CCGZGLDOTUYHFX-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO Cc1cccn2c(CN3CC(C)(CO)C3)c[nH+]c12 ZINC000334643953 354401423 /nfs/dbraw/zinc/40/14/23/354401423.db2.gz CCGZGLDOTUYHFX-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H]1C1CC1 ZINC000334667095 354405986 /nfs/dbraw/zinc/40/59/86/354405986.db2.gz AQGDPSUNCCRZDC-LBPRGKRZSA-N 1 2 241.294 1.959 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000334677225 354421171 /nfs/dbraw/zinc/42/11/71/354421171.db2.gz XJQNWCNIRNTWDS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000334677225 354421172 /nfs/dbraw/zinc/42/11/72/354421172.db2.gz XJQNWCNIRNTWDS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO O=C(CC1CC1)Nc1c[nH+]c2n1CCCC2 ZINC000334650284 354442539 /nfs/dbraw/zinc/44/25/39/354442539.db2.gz GQSLPLGFGIRIKH-UHFFFAOYSA-N 1 2 219.288 1.958 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cncn1C ZINC000334659062 354455347 /nfs/dbraw/zinc/45/53/47/354455347.db2.gz QTZPKFDUPCFYAY-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cncn1C ZINC000334659062 354455350 /nfs/dbraw/zinc/45/53/50/354455350.db2.gz QTZPKFDUPCFYAY-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)COCCN1Cc1c[nH+]cn1C ZINC000334659062 354455353 /nfs/dbraw/zinc/45/53/53/354455353.db2.gz QTZPKFDUPCFYAY-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(O)CCC1 ZINC000334699435 354491285 /nfs/dbraw/zinc/49/12/85/354491285.db2.gz IDSKPBBTDPQLTE-UHFFFAOYSA-N 1 2 249.314 1.031 20 0 BDADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(O)CCC1 ZINC000334699435 354491290 /nfs/dbraw/zinc/49/12/90/354491290.db2.gz IDSKPBBTDPQLTE-UHFFFAOYSA-N 1 2 249.314 1.031 20 0 BDADLO C[C@@H](CC(=O)N1C[C@@H](F)[C@@H](F)C1)n1cc[nH+]c1 ZINC000578076744 366223932 /nfs/dbraw/zinc/22/39/32/366223932.db2.gz WUXDSFLLSAAXJS-LPEHRKFASA-N 1 2 243.257 1.353 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335929758 134010404 /nfs/dbraw/zinc/01/04/04/134010404.db2.gz SMXCPLXUZJNAGN-VIFPVBQESA-N 1 2 221.304 1.698 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2cc(F)ccc21 ZINC000334815715 354573694 /nfs/dbraw/zinc/57/36/94/354573694.db2.gz NKGQMVCEFHLBIO-UHFFFAOYSA-N 1 2 245.257 1.612 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000334755338 354576944 /nfs/dbraw/zinc/57/69/44/354576944.db2.gz XMISRNLVGGAFST-GZMMTYOYSA-N 1 2 236.319 1.854 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000334755338 354576945 /nfs/dbraw/zinc/57/69/45/354576945.db2.gz XMISRNLVGGAFST-GZMMTYOYSA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000334755338 354576946 /nfs/dbraw/zinc/57/69/46/354576946.db2.gz XMISRNLVGGAFST-GZMMTYOYSA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000334755338 354576947 /nfs/dbraw/zinc/57/69/47/354576947.db2.gz XMISRNLVGGAFST-GZMMTYOYSA-N 1 2 236.319 1.854 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CC(C2CC2)C1 ZINC000639196244 354597687 /nfs/dbraw/zinc/59/76/87/354597687.db2.gz NGBNUMVUVIEJBA-UHFFFAOYSA-N 1 2 220.320 1.701 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335081069 354644328 /nfs/dbraw/zinc/64/43/28/354644328.db2.gz NIOSNMJNXVKDSL-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335081069 354644330 /nfs/dbraw/zinc/64/43/30/354644330.db2.gz NIOSNMJNXVKDSL-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000335104048 354688208 /nfs/dbraw/zinc/68/82/08/354688208.db2.gz NGTRFSKTOIMMQH-VHSXEESVSA-N 1 2 239.294 1.863 20 0 BDADLO COC[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000351944810 134015317 /nfs/dbraw/zinc/01/53/17/134015317.db2.gz WVPVHTSXFKAKOW-VIFPVBQESA-N 1 2 237.303 1.855 20 0 BDADLO FC(F)c1noc(C[N@@H+]2CCCSCC2)n1 ZINC000335119077 354724418 /nfs/dbraw/zinc/72/44/18/354724418.db2.gz RGFWTBMTCSQXGG-UHFFFAOYSA-N 1 2 249.286 1.946 20 0 BDADLO FC(F)c1noc(C[N@H+]2CCCSCC2)n1 ZINC000335119077 354724422 /nfs/dbraw/zinc/72/44/22/354724422.db2.gz RGFWTBMTCSQXGG-UHFFFAOYSA-N 1 2 249.286 1.946 20 0 BDADLO Cc1cc(N[C@H]2C=C[C@@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000345521048 354671271 /nfs/dbraw/zinc/67/12/71/354671271.db2.gz LBGIBPSXQAKPPS-NEPJUHHUSA-N 1 2 247.342 1.679 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345727814 354745097 /nfs/dbraw/zinc/74/50/97/354745097.db2.gz VFFCGJHFKZHAPE-DTWKUNHWSA-N 1 2 234.290 1.534 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132918 354779726 /nfs/dbraw/zinc/77/97/26/354779726.db2.gz MHPWTXRKSSTOKC-GHMZBOCLSA-N 1 2 249.301 1.769 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132918 354779729 /nfs/dbraw/zinc/77/97/29/354779729.db2.gz MHPWTXRKSSTOKC-GHMZBOCLSA-N 1 2 249.301 1.769 20 0 BDADLO Cc1ccnc(NCc2ccc[nH+]c2N(C)C)n1 ZINC000346394443 354909693 /nfs/dbraw/zinc/90/96/93/354909693.db2.gz DVJXWGHMIYWPDY-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000335178026 354948386 /nfs/dbraw/zinc/94/83/86/354948386.db2.gz UHPWTCPZUKXGSR-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000335178026 354948389 /nfs/dbraw/zinc/94/83/89/354948389.db2.gz UHPWTCPZUKXGSR-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000346457578 354949566 /nfs/dbraw/zinc/94/95/66/354949566.db2.gz OYNNFCLTNHAQIR-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000346457578 354949569 /nfs/dbraw/zinc/94/95/69/354949569.db2.gz OYNNFCLTNHAQIR-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000623201812 354954338 /nfs/dbraw/zinc/95/43/38/354954338.db2.gz JOAIFDXFYXZYJY-KOLCDFICSA-N 1 2 233.315 1.772 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335207373 355043425 /nfs/dbraw/zinc/04/34/25/355043425.db2.gz PNHRGNSKRDSGGV-LLVKDONJSA-N 1 2 249.358 1.950 20 0 BDADLO [NH3+][C@H](C(=O)NC1CCCC1)c1cscn1 ZINC000335229084 355071837 /nfs/dbraw/zinc/07/18/37/355071837.db2.gz JPIRTJARNGDNIM-VIFPVBQESA-N 1 2 225.317 1.202 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12CC[C@H](C)C2 ZINC000335246312 355160945 /nfs/dbraw/zinc/16/09/45/355160945.db2.gz JINJZUXNCLCNSC-CMPLNLGQSA-N 1 2 210.321 1.735 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12CC[C@H](C)C2 ZINC000335246312 355160950 /nfs/dbraw/zinc/16/09/50/355160950.db2.gz JINJZUXNCLCNSC-CMPLNLGQSA-N 1 2 210.321 1.735 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC000346956913 355167871 /nfs/dbraw/zinc/16/78/71/355167871.db2.gz FSYLKOQDERCBND-YRORDHRNSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCCCO1 ZINC000346956913 355167874 /nfs/dbraw/zinc/16/78/74/355167874.db2.gz FSYLKOQDERCBND-YRORDHRNSA-N 1 2 245.388 1.397 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc2c1NCC2 ZINC000346843921 355134442 /nfs/dbraw/zinc/13/44/42/355134442.db2.gz YCIHBVPGPTUIDB-UHFFFAOYSA-N 1 2 248.326 1.650 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc2c1NCC2 ZINC000346843921 355134447 /nfs/dbraw/zinc/13/44/47/355134447.db2.gz YCIHBVPGPTUIDB-UHFFFAOYSA-N 1 2 248.326 1.650 20 0 BDADLO CC(=O)CCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352001375 134033685 /nfs/dbraw/zinc/03/36/85/134033685.db2.gz FVFIHRWLTSHAES-UHFFFAOYSA-N 1 2 223.276 1.127 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1cccnc1 ZINC000346919583 355154314 /nfs/dbraw/zinc/15/43/14/355154314.db2.gz BMXIQMDQZUBGOM-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)c1ccc2[nH+]ccn2c1 ZINC000335253394 355210066 /nfs/dbraw/zinc/21/00/66/355210066.db2.gz PVTRIMMPDDCWFH-NXEZZACHSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1c[nH]cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000335241589 355176509 /nfs/dbraw/zinc/17/65/09/355176509.db2.gz TWVLVRZHSBFGEX-UHFFFAOYSA-N 1 2 230.271 1.176 20 0 BDADLO FC[C@@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000413469163 191383957 /nfs/dbraw/zinc/38/39/57/191383957.db2.gz DSTDFOOFYBWMPO-SNVBAGLBSA-N 1 2 247.273 1.805 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000335290307 355263523 /nfs/dbraw/zinc/26/35/23/355263523.db2.gz YCIPGXLFPAGZRL-YPMHNXCESA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(F)C2)C1 ZINC000335290307 355263529 /nfs/dbraw/zinc/26/35/29/355263529.db2.gz YCIPGXLFPAGZRL-YPMHNXCESA-N 1 2 242.338 1.679 20 0 BDADLO Cc1nc(N2CCCO[C@H](CF)C2)cc[nH+]1 ZINC000413483170 191387635 /nfs/dbraw/zinc/38/76/35/191387635.db2.gz PPQHRPWTAMJAIM-SNVBAGLBSA-N 1 2 225.267 1.350 20 0 BDADLO Cc1nc(NCC(C)(C)c2cccnc2)cc[nH+]1 ZINC000413593503 191398343 /nfs/dbraw/zinc/39/83/43/191398343.db2.gz VXLFFIOKCRRBRE-UHFFFAOYSA-N 1 2 242.326 1.992 20 0 BDADLO CCC[C@H](O)[C@@H](CO)Nc1cccc[nH+]1 ZINC000413497556 191390228 /nfs/dbraw/zinc/39/02/28/191390228.db2.gz TWSHHKOIEZQNQT-ZJUUUORDSA-N 1 2 210.277 1.015 20 0 BDADLO C[C@@H](CCCO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413190680 191362215 /nfs/dbraw/zinc/36/22/15/191362215.db2.gz XJOIGALOODPEGA-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO C[C@@H](CCCO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413190680 191362218 /nfs/dbraw/zinc/36/22/18/191362218.db2.gz XJOIGALOODPEGA-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO CO[C@@H](C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413263209 191366378 /nfs/dbraw/zinc/36/63/78/191366378.db2.gz VDKYIJQXWHRJJH-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO CO[C@@H](C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413263209 191366381 /nfs/dbraw/zinc/36/63/81/191366381.db2.gz VDKYIJQXWHRJJH-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO CO[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000413305242 191370133 /nfs/dbraw/zinc/37/01/33/191370133.db2.gz ZGYQLLZTEUDXDC-NSHDSACASA-N 1 2 248.330 1.888 20 0 BDADLO CO[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000413305242 191370134 /nfs/dbraw/zinc/37/01/34/191370134.db2.gz ZGYQLLZTEUDXDC-NSHDSACASA-N 1 2 248.330 1.888 20 0 BDADLO CC[C@H](Nc1cc(NC2CC2)[nH+]cn1)[C@H](C)O ZINC000413308655 191370960 /nfs/dbraw/zinc/37/09/60/191370960.db2.gz ADPDMJDUFPVUKV-WPRPVWTQSA-N 1 2 236.319 1.622 20 0 BDADLO CC[C@H](Nc1cc(NC2CC2)nc[nH+]1)[C@H](C)O ZINC000413308655 191370961 /nfs/dbraw/zinc/37/09/61/191370961.db2.gz ADPDMJDUFPVUKV-WPRPVWTQSA-N 1 2 236.319 1.622 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@@]2(C)C(C)C)[nH+]1 ZINC000413428419 191379170 /nfs/dbraw/zinc/37/91/70/191379170.db2.gz BKIITYZEQOHJSS-MFKMUULPSA-N 1 2 249.362 1.514 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@]2(C)C(C)C)nc(N(C)C)[nH+]1 ZINC000413428419 191379174 /nfs/dbraw/zinc/37/91/74/191379174.db2.gz BKIITYZEQOHJSS-MFKMUULPSA-N 1 2 249.362 1.514 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC(C)(O)C1 ZINC000639253590 355291686 /nfs/dbraw/zinc/29/16/86/355291686.db2.gz KONGXAYOVWITQD-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cc1ccc(C[NH+]2CC(C)(O)C2)c(F)c1 ZINC000639253613 355292176 /nfs/dbraw/zinc/29/21/76/355292176.db2.gz LIXDVEXOGUJPNY-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO CCn1ncnc1C[NH+]1CC(C2CCCC2)C1 ZINC000639254491 355295514 /nfs/dbraw/zinc/29/55/14/355295514.db2.gz WXDKBLPXSGZYFG-UHFFFAOYSA-N 1 2 234.347 1.920 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(C)cc2F)C1 ZINC000639255390 355297713 /nfs/dbraw/zinc/29/77/13/355297713.db2.gz FOJZJROERJRRBK-UHFFFAOYSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccnc(SC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000583496924 355325949 /nfs/dbraw/zinc/32/59/49/355325949.db2.gz ORUZIXMNPAMNIL-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cc1ccnc(SC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000583496924 355325952 /nfs/dbraw/zinc/32/59/52/355325952.db2.gz ORUZIXMNPAMNIL-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cn1ncnc1C[NH+]1CC2(C1)CCCCC2 ZINC000639250245 355282737 /nfs/dbraw/zinc/28/27/37/355282737.db2.gz MKBWAHJRJKPDMS-UHFFFAOYSA-N 1 2 220.320 1.581 20 0 BDADLO CCOC1C[NH+](Cc2ccc3nccnc3c2)C1 ZINC000639250513 355283222 /nfs/dbraw/zinc/28/32/22/355283222.db2.gz SDKDCJFROUTCOK-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO CCC[C@H](C[NH+]1CC(OCC(F)F)C1)OC ZINC000639251993 355285440 /nfs/dbraw/zinc/28/54/40/355285440.db2.gz ZNTQMCOZZGVOKZ-SECBINFHSA-N 1 2 237.290 1.767 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2ccon2)ccn1 ZINC000349242761 355375016 /nfs/dbraw/zinc/37/50/16/355375016.db2.gz PARBQFDCOFHFAF-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000335776500 355401352 /nfs/dbraw/zinc/40/13/52/355401352.db2.gz FWYBHJKCIOFGKI-UWVGGRQHSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000335776500 355401354 /nfs/dbraw/zinc/40/13/54/355401354.db2.gz FWYBHJKCIOFGKI-UWVGGRQHSA-N 1 2 213.252 1.493 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335793737 355447438 /nfs/dbraw/zinc/44/74/38/355447438.db2.gz KYEDFEJPJZSUAC-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO O=C(C1CC[NH+](CC(F)F)CC1)N1CCC1 ZINC000349726062 355420458 /nfs/dbraw/zinc/42/04/58/355420458.db2.gz XUNLIZXPRWGTRD-UHFFFAOYSA-N 1 2 232.274 1.196 20 0 BDADLO C[NH+](C)Cc1nc(C2CCSCC2)no1 ZINC000335790367 355441495 /nfs/dbraw/zinc/44/14/95/355441495.db2.gz DKDLKTIVPHMYEM-UHFFFAOYSA-N 1 2 227.333 1.742 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCCCO)o1 ZINC000349945689 355533586 /nfs/dbraw/zinc/53/35/86/355533586.db2.gz NUPAFSKHPFKTBU-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCCCO)o1 ZINC000349945689 355533590 /nfs/dbraw/zinc/53/35/90/355533590.db2.gz NUPAFSKHPFKTBU-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335819273 355510502 /nfs/dbraw/zinc/51/05/02/355510502.db2.gz JAXVNXPBQGTIQK-QFYYESIMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335819273 355510505 /nfs/dbraw/zinc/51/05/05/355510505.db2.gz JAXVNXPBQGTIQK-QFYYESIMSA-N 1 2 241.356 1.788 20 0 BDADLO C[NH2+]Cc1noc(COc2ccc(C)cc2)n1 ZINC000349892435 355520476 /nfs/dbraw/zinc/52/04/76/355520476.db2.gz MYBVWCGLRXONRW-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000353241620 355526876 /nfs/dbraw/zinc/52/68/76/355526876.db2.gz ZUUXKIPWRPRGCK-SECBINFHSA-N 1 2 238.335 1.388 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000353241620 355526880 /nfs/dbraw/zinc/52/68/80/355526880.db2.gz ZUUXKIPWRPRGCK-SECBINFHSA-N 1 2 238.335 1.388 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)n1 ZINC000335841579 355585591 /nfs/dbraw/zinc/58/55/91/355585591.db2.gz WHYQOVPDLXBOMW-SCZZXKLOSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)n1 ZINC000335841579 355585595 /nfs/dbraw/zinc/58/55/95/355585595.db2.gz WHYQOVPDLXBOMW-SCZZXKLOSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1nccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000350125747 355608796 /nfs/dbraw/zinc/60/87/96/355608796.db2.gz SNPGOWONPCRTFA-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C(F)F)CC2)o1 ZINC000335837440 355565694 /nfs/dbraw/zinc/56/56/94/355565694.db2.gz NRTWHWBSCXXEPM-UHFFFAOYSA-N 1 2 231.246 1.855 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000335873542 355641189 /nfs/dbraw/zinc/64/11/89/355641189.db2.gz ICKINQNGZVZVCG-VHSXEESVSA-N 1 2 236.319 1.408 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000639302848 355650119 /nfs/dbraw/zinc/65/01/19/355650119.db2.gz OKIXZQIXVQUNDY-SNVBAGLBSA-N 1 2 227.308 1.625 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000639302848 355650124 /nfs/dbraw/zinc/65/01/24/355650124.db2.gz OKIXZQIXVQUNDY-SNVBAGLBSA-N 1 2 227.308 1.625 20 0 BDADLO Cn1ncnc1CNc1c[nH+]cc2c1CCCC2 ZINC000639303491 355653660 /nfs/dbraw/zinc/65/36/60/355653660.db2.gz RDZCEJOJLLSYLJ-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO CCO[C@H](CC(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000350157956 355617324 /nfs/dbraw/zinc/61/73/24/355617324.db2.gz SYQZGCWCNQDQQL-LLVKDONJSA-N 1 2 239.319 1.477 20 0 BDADLO CCO[C@H](CC(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000350157956 355617329 /nfs/dbraw/zinc/61/73/29/355617329.db2.gz SYQZGCWCNQDQQL-LLVKDONJSA-N 1 2 239.319 1.477 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)C(F)F ZINC000350163490 355618608 /nfs/dbraw/zinc/61/86/08/355618608.db2.gz QQUKUZRWKABWSQ-UHFFFAOYSA-N 1 2 231.246 1.626 20 0 BDADLO COCc1cc[nH+]c(NCCC[C@@H]2CCO2)c1 ZINC000639313686 355692028 /nfs/dbraw/zinc/69/20/28/355692028.db2.gz VSRGGONFYCKBEL-GFCCVEGCSA-N 1 2 236.315 1.631 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCC[C@@](C)(F)C2)C1 ZINC000582191077 355700023 /nfs/dbraw/zinc/70/00/23/355700023.db2.gz NCFQICKNQYKTCY-CYBMUJFWSA-N 1 2 242.338 1.679 20 0 BDADLO NC(=O)c1cc(C[NH2+]Cc2ccc(F)cc2)on1 ZINC000350388803 355701139 /nfs/dbraw/zinc/70/11/39/355701139.db2.gz HPJHXPIYGKNFMS-UHFFFAOYSA-N 1 2 249.245 1.202 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccccn2)CC[S@]1=O ZINC000336006502 134049339 /nfs/dbraw/zinc/04/93/39/134049339.db2.gz IUGXZNVULVJTPI-BDJLRTHQSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccccn2)CC[S@]1=O ZINC000336006502 134049340 /nfs/dbraw/zinc/04/93/40/134049340.db2.gz IUGXZNVULVJTPI-BDJLRTHQSA-N 1 2 238.356 1.077 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000335884110 355674369 /nfs/dbraw/zinc/67/43/69/355674369.db2.gz NMDYOQKNXKAMOX-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000336001162 134047124 /nfs/dbraw/zinc/04/71/24/134047124.db2.gz SGVLVZIAUPUODD-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000336001162 134047125 /nfs/dbraw/zinc/04/71/25/134047125.db2.gz SGVLVZIAUPUODD-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000335892969 355686520 /nfs/dbraw/zinc/68/65/20/355686520.db2.gz QTHGKCGECWBTLF-VIFPVBQESA-N 1 2 249.314 1.241 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000335892969 355686525 /nfs/dbraw/zinc/68/65/25/355686525.db2.gz QTHGKCGECWBTLF-VIFPVBQESA-N 1 2 249.314 1.241 20 0 BDADLO CC(C)c1nc(N2C[C@H](O)C[C@H]2C)cc[nH+]1 ZINC000350684898 355741385 /nfs/dbraw/zinc/74/13/85/355741385.db2.gz MHZIZLPXVCTDKF-NXEZZACHSA-N 1 2 221.304 1.560 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCSC1 ZINC000336013577 134052140 /nfs/dbraw/zinc/05/21/40/134052140.db2.gz QMKVZQAGZFIAOJ-SECBINFHSA-N 1 2 239.344 1.180 20 0 BDADLO COc1cc(C[NH2+]Cc2cc3n(n2)CCC3)on1 ZINC000639326828 355732872 /nfs/dbraw/zinc/73/28/72/355732872.db2.gz VJVKDLQLTMRIKT-UHFFFAOYSA-N 1 2 248.286 1.116 20 0 BDADLO COC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425383812 191831863 /nfs/dbraw/zinc/83/18/63/191831863.db2.gz KRJYQUZWNQJLKM-UHFFFAOYSA-N 1 2 247.245 1.618 20 0 BDADLO CCOC[C@@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000639364856 355836734 /nfs/dbraw/zinc/83/67/34/355836734.db2.gz JSSPRGNGVVUYOL-SNVBAGLBSA-N 1 2 223.320 1.985 20 0 BDADLO CO[C@H](C)CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000166778559 355840780 /nfs/dbraw/zinc/84/07/80/355840780.db2.gz DDCPATWQEYZRGV-MRVPVSSYSA-N 1 2 223.276 1.417 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000424963275 191887985 /nfs/dbraw/zinc/88/79/85/191887985.db2.gz AMRVQIMIUWQXEV-QWHCGFSZSA-N 1 2 247.342 1.658 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254482 355854845 /nfs/dbraw/zinc/85/48/45/355854845.db2.gz DBKKIAFPQNCTGJ-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](CO)Sc1[nH+]cnc2[nH]ccc21 ZINC000336031260 134058173 /nfs/dbraw/zinc/05/81/73/134058173.db2.gz KULPXYAKKHMPAV-LURJTMIESA-N 1 2 209.274 1.431 20 0 BDADLO CC1([NH2+]Cc2nccn2-c2ccccc2)COC1 ZINC000639380177 355916485 /nfs/dbraw/zinc/91/64/85/355916485.db2.gz BFAXPKWIYXFRPX-UHFFFAOYSA-N 1 2 243.310 1.751 20 0 BDADLO C[C@@H](CO)[C@H](C)[NH2+]Cc1nnsc1Cl ZINC000389215516 355885134 /nfs/dbraw/zinc/88/51/34/355885134.db2.gz KGLRUOZOBZALEP-WDSKDSINSA-N 1 2 235.740 1.298 20 0 BDADLO CC[C@H](CC(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256781 355974064 /nfs/dbraw/zinc/97/40/64/355974064.db2.gz VBUOAVLKOMSHHY-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO CCCC[N@H+](CC)Cc1noc(CCOC)n1 ZINC000351291137 355974580 /nfs/dbraw/zinc/97/45/80/355974580.db2.gz RSAWTUOZLGOMAQ-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCC[N@@H+](CC)Cc1noc(CCOC)n1 ZINC000351291137 355974584 /nfs/dbraw/zinc/97/45/84/355974584.db2.gz RSAWTUOZLGOMAQ-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351153031 355955007 /nfs/dbraw/zinc/95/50/07/355955007.db2.gz ZIUXZGGTBPIGEH-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351153031 355955009 /nfs/dbraw/zinc/95/50/09/355955009.db2.gz ZIUXZGGTBPIGEH-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000351506010 356004686 /nfs/dbraw/zinc/00/46/86/356004686.db2.gz QWDWHEHKQGDZCN-RNCFNFMXSA-N 1 2 229.283 1.447 20 0 BDADLO c1cnn([C@H]2CCC[N@@H+](Cc3cocn3)C2)c1 ZINC000351264658 355968503 /nfs/dbraw/zinc/96/85/03/355968503.db2.gz AZSBWWUDLUBMQN-LBPRGKRZSA-N 1 2 232.287 1.708 20 0 BDADLO c1cnn([C@H]2CCC[N@H+](Cc3cocn3)C2)c1 ZINC000351264658 355968506 /nfs/dbraw/zinc/96/85/06/355968506.db2.gz AZSBWWUDLUBMQN-LBPRGKRZSA-N 1 2 232.287 1.708 20 0 BDADLO COC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608748634 355971961 /nfs/dbraw/zinc/97/19/61/355971961.db2.gz FVOOJKRVNAULNG-DJLDLDEBSA-N 1 2 241.253 1.673 20 0 BDADLO COC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608748634 355971966 /nfs/dbraw/zinc/97/19/66/355971966.db2.gz FVOOJKRVNAULNG-DJLDLDEBSA-N 1 2 241.253 1.673 20 0 BDADLO C[C@H]1C[N@H+](CCCCO)C[C@@H](C(F)(F)F)O1 ZINC000608750360 355972252 /nfs/dbraw/zinc/97/22/52/355972252.db2.gz NWGODEYGPRHDDG-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]1C[N@@H+](CCCCO)C[C@@H](C(F)(F)F)O1 ZINC000608750360 355972255 /nfs/dbraw/zinc/97/22/55/355972255.db2.gz NWGODEYGPRHDDG-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000351622721 356032002 /nfs/dbraw/zinc/03/20/02/356032002.db2.gz DWFVXOUTWRSJKX-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000351622721 356032004 /nfs/dbraw/zinc/03/20/04/356032004.db2.gz DWFVXOUTWRSJKX-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000351546995 356013584 /nfs/dbraw/zinc/01/35/84/356013584.db2.gz XAACFMIUWXUJIU-BYCRGOAPSA-N 1 2 245.326 1.734 20 0 BDADLO NC(=O)C[N@H+](C/C=C\Cl)Cc1ccccc1 ZINC000264827270 181229847 /nfs/dbraw/zinc/22/98/47/181229847.db2.gz IEWKPHGTJXDZBL-DAXSKMNVSA-N 1 2 238.718 1.726 20 0 BDADLO NC(=O)C[N@@H+](C/C=C\Cl)Cc1ccccc1 ZINC000264827270 181229849 /nfs/dbraw/zinc/22/98/49/181229849.db2.gz IEWKPHGTJXDZBL-DAXSKMNVSA-N 1 2 238.718 1.726 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccon1 ZINC000351583651 356022033 /nfs/dbraw/zinc/02/20/33/356022033.db2.gz UTMBIMJWMRAARM-VIFPVBQESA-N 1 2 247.302 1.381 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257727 356027030 /nfs/dbraw/zinc/02/70/30/356027030.db2.gz SFNHIVZWKMFBGW-MDZLAQPJSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ns1 ZINC000623260575 356118989 /nfs/dbraw/zinc/11/89/89/356118989.db2.gz IUQOBFJYQWFMKJ-MRVPVSSYSA-N 1 2 248.311 1.003 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000351717990 356069197 /nfs/dbraw/zinc/06/91/97/356069197.db2.gz HFLUGQLDMGYICK-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000351717990 356069199 /nfs/dbraw/zinc/06/91/99/356069199.db2.gz HFLUGQLDMGYICK-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@](C)(O)C2)no1 ZINC000351718293 356069589 /nfs/dbraw/zinc/06/95/89/356069589.db2.gz QFJCGHRKZZYCKE-KCJUWKMLSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@](C)(O)C2)no1 ZINC000351718293 356069591 /nfs/dbraw/zinc/06/95/91/356069591.db2.gz QFJCGHRKZZYCKE-KCJUWKMLSA-N 1 2 225.292 1.286 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259316 356082874 /nfs/dbraw/zinc/08/28/74/356082874.db2.gz YOHQXMNQIOPMLN-VIFPVBQESA-N 1 2 244.298 1.128 20 0 BDADLO CCOC1(C)C[NH+](Cc2cc(C)nn2C)C1 ZINC000418096961 191968252 /nfs/dbraw/zinc/96/82/52/191968252.db2.gz XYGFQDGXSQCNMW-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO CCCC[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259138 356087321 /nfs/dbraw/zinc/08/73/21/356087321.db2.gz SBGSZSKMXOKNDL-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CC1(C)CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262115 356162308 /nfs/dbraw/zinc/16/23/08/356162308.db2.gz OPVCPZDGUJHNDT-WDEREUQCSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262106 356162357 /nfs/dbraw/zinc/16/23/57/356162357.db2.gz OMDMSPXSTOAJNS-WDEREUQCSA-N 1 2 235.331 1.606 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262103 356162618 /nfs/dbraw/zinc/16/26/18/356162618.db2.gz OMDMSPXSTOAJNS-GHMZBOCLSA-N 1 2 235.331 1.606 20 0 BDADLO OCC[N@H+](Cc1nc(C2CCC2)no1)C1CC1 ZINC000639450930 356235613 /nfs/dbraw/zinc/23/56/13/356235613.db2.gz FHHNZKZJMRWQFZ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCC[N@@H+](Cc1nc(C2CCC2)no1)C1CC1 ZINC000639450930 356235614 /nfs/dbraw/zinc/23/56/14/356235614.db2.gz FHHNZKZJMRWQFZ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CCCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264098 356228213 /nfs/dbraw/zinc/22/82/13/356228213.db2.gz FZSWNZOHDKOQTI-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO CCCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264097 356228706 /nfs/dbraw/zinc/22/87/06/356228706.db2.gz FZSWNZOHDKOQTI-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264934 356230143 /nfs/dbraw/zinc/23/01/43/356230143.db2.gz XEAZITFZMDJYEC-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO O=C(CCC1CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265041 356231013 /nfs/dbraw/zinc/23/10/13/356231013.db2.gz ZPZFTMSDDQPXFY-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC12CCC2 ZINC000623264508 356236378 /nfs/dbraw/zinc/23/63/78/356236378.db2.gz NEPINBKZQKXYOH-MWLCHTKSSA-N 1 2 231.299 1.114 20 0 BDADLO C[NH2+]C[C@H](C)CN=c1nc(C(C)(C)C)o[nH]1 ZINC000420217837 192193950 /nfs/dbraw/zinc/19/39/50/192193950.db2.gz XQPOWLMDSGAVTM-QMMMGPOBSA-N 1 2 226.324 1.056 20 0 BDADLO C[C@@H]1[N@H+](Cc2cc[nH]n2)CCOC1(C)C ZINC000336114393 134087752 /nfs/dbraw/zinc/08/77/52/134087752.db2.gz BRIBYAFYMDPVLR-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1[N@@H+](Cc2cc[nH]n2)CCOC1(C)C ZINC000336114393 134087753 /nfs/dbraw/zinc/08/77/53/134087753.db2.gz BRIBYAFYMDPVLR-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000336116259 134088774 /nfs/dbraw/zinc/08/87/74/134088774.db2.gz MUMDSIQQTUFGND-VIFPVBQESA-N 1 2 209.249 1.483 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000336116259 134088775 /nfs/dbraw/zinc/08/87/75/134088775.db2.gz MUMDSIQQTUFGND-VIFPVBQESA-N 1 2 209.249 1.483 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000617638181 356240762 /nfs/dbraw/zinc/24/07/62/356240762.db2.gz ILTRFOAHRKFSRS-NEPJUHHUSA-N 1 2 249.358 1.998 20 0 BDADLO Cc1nc(C[N@H+]2CCSCC[C@H]2C)no1 ZINC000336121160 134091685 /nfs/dbraw/zinc/09/16/85/134091685.db2.gz TZZBAGHEVIUPOO-MRVPVSSYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nc(C[N@@H+]2CCSCC[C@H]2C)no1 ZINC000336121160 134091686 /nfs/dbraw/zinc/09/16/86/134091686.db2.gz TZZBAGHEVIUPOO-MRVPVSSYSA-N 1 2 227.333 1.705 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265332 356293123 /nfs/dbraw/zinc/29/31/23/356293123.db2.gz CMAKJRMNMRHXCA-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO CC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000639494233 356318501 /nfs/dbraw/zinc/31/85/01/356318501.db2.gz BGNDFMKSTTWMPV-CYBMUJFWSA-N 1 2 247.342 1.349 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@@H]1CCc2ncnn21 ZINC000639507247 356335018 /nfs/dbraw/zinc/33/50/18/356335018.db2.gz KKXQHXDVNKDUGZ-VIFPVBQESA-N 1 2 249.343 1.354 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@@H]1CCc2ncnn21 ZINC000639507247 356335020 /nfs/dbraw/zinc/33/50/20/356335020.db2.gz KKXQHXDVNKDUGZ-VIFPVBQESA-N 1 2 249.343 1.354 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623268350 356336946 /nfs/dbraw/zinc/33/69/46/356336946.db2.gz LFCAEIFVGHODFJ-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639512084 356341562 /nfs/dbraw/zinc/34/15/62/356341562.db2.gz UQKGRCVFWFAQKB-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639512084 356341564 /nfs/dbraw/zinc/34/15/64/356341564.db2.gz UQKGRCVFWFAQKB-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CCCC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000352410926 356341781 /nfs/dbraw/zinc/34/17/81/356341781.db2.gz UPGFAZZGCXLJTD-MRVPVSSYSA-N 1 2 212.297 1.521 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccon1 ZINC000365486897 181274753 /nfs/dbraw/zinc/27/47/53/181274753.db2.gz VLHVMLNSVLEJPX-DLOVCJGASA-N 1 2 249.314 1.293 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccon1 ZINC000365486897 181274756 /nfs/dbraw/zinc/27/47/56/181274756.db2.gz VLHVMLNSVLEJPX-DLOVCJGASA-N 1 2 249.314 1.293 20 0 BDADLO CN1CC[C@@H]([NH2+]CCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390632 192236424 /nfs/dbraw/zinc/23/64/24/192236424.db2.gz ABXPQFIKPOBOBX-KGLIPLIRSA-N 1 2 233.359 1.370 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC=CCC1 ZINC000623279266 356427797 /nfs/dbraw/zinc/42/77/97/356427797.db2.gz RCXWMKCFTSHSHJ-QWRGUYRKSA-N 1 2 231.299 1.280 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CC(C)(C)CO1 ZINC000639550949 356430375 /nfs/dbraw/zinc/43/03/75/356430375.db2.gz DZBWZWYBKFUCGZ-SNVBAGLBSA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CC(C)(C)CO1 ZINC000639550949 356430380 /nfs/dbraw/zinc/43/03/80/356430380.db2.gz DZBWZWYBKFUCGZ-SNVBAGLBSA-N 1 2 223.320 1.657 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cnc[nH]1 ZINC000362618614 181273897 /nfs/dbraw/zinc/27/38/97/181273897.db2.gz ZBPLLEJNSUUFCW-WCQGTBRESA-N 1 2 248.330 1.028 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cnc[nH]1 ZINC000362618614 181273898 /nfs/dbraw/zinc/27/38/98/181273898.db2.gz ZBPLLEJNSUUFCW-WCQGTBRESA-N 1 2 248.330 1.028 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336152488 134104732 /nfs/dbraw/zinc/10/47/32/134104732.db2.gz YXDUXOQYGSFJTO-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO C[C@](CO)([NH2+]Cc1cocn1)c1cccc(O)c1 ZINC000628374711 356456516 /nfs/dbraw/zinc/45/65/16/356456516.db2.gz YDQAMBPFVVPQRE-CYBMUJFWSA-N 1 2 248.282 1.378 20 0 BDADLO CCCc1noc(C[N@H+](C)C2CC(OC)C2)n1 ZINC000352209707 134107605 /nfs/dbraw/zinc/10/76/05/134107605.db2.gz COEQSBJEOAUZPS-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1noc(C[N@@H+](C)C2CC(OC)C2)n1 ZINC000352209707 134107606 /nfs/dbraw/zinc/10/76/06/134107606.db2.gz COEQSBJEOAUZPS-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO O=C(Cc1ccsc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623281935 356464848 /nfs/dbraw/zinc/46/48/48/356464848.db2.gz HSSDHDSRFGXCGY-SNVBAGLBSA-N 1 2 247.323 1.228 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000639551040 356434218 /nfs/dbraw/zinc/43/42/18/356434218.db2.gz GGEIXYNXUPDHKR-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639551040 356434223 /nfs/dbraw/zinc/43/42/23/356434223.db2.gz GGEIXYNXUPDHKR-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](CCc2cnccn2)CCN1C ZINC000639558718 356464115 /nfs/dbraw/zinc/46/41/15/356464115.db2.gz HRCMICRYOCOWMQ-NEPJUHHUSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](CCc2cnccn2)CCN1C ZINC000639558718 356464117 /nfs/dbraw/zinc/46/41/17/356464117.db2.gz HRCMICRYOCOWMQ-NEPJUHHUSA-N 1 2 234.347 1.044 20 0 BDADLO CCCc1nc(C[N@H+](C)C2CC(OC)C2)no1 ZINC000352230957 134111694 /nfs/dbraw/zinc/11/16/94/134111694.db2.gz NKHNWMZSWPHRNZ-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1nc(C[N@@H+](C)C2CC(OC)C2)no1 ZINC000352230957 134111695 /nfs/dbraw/zinc/11/16/95/134111695.db2.gz NKHNWMZSWPHRNZ-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000334156750 356476021 /nfs/dbraw/zinc/47/60/21/356476021.db2.gz ZLDLQTDXMDGIHZ-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000194303926 181282851 /nfs/dbraw/zinc/28/28/51/181282851.db2.gz WOOLCJQHYDXDKY-SECBINFHSA-N 1 2 244.747 1.851 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cs1 ZINC000194303926 181282853 /nfs/dbraw/zinc/28/28/53/181282853.db2.gz WOOLCJQHYDXDKY-SECBINFHSA-N 1 2 244.747 1.851 20 0 BDADLO CCN(Cc1cnn(C)c1)c1cc(C)[nH+]cn1 ZINC000301247596 356513459 /nfs/dbraw/zinc/51/34/59/356513459.db2.gz QSDMZUYJQKRCBS-UHFFFAOYSA-N 1 2 231.303 1.545 20 0 BDADLO CC(=O)C[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000639568666 356494269 /nfs/dbraw/zinc/49/42/69/356494269.db2.gz CSMXRXMAWRMIDG-GFCCVEGCSA-N 1 2 246.314 1.605 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCO[C@H]2C)no1 ZINC000639570168 356495295 /nfs/dbraw/zinc/49/52/95/356495295.db2.gz LLRHVZGQBCWQCV-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCO[C@H]2C)no1 ZINC000639570168 356495299 /nfs/dbraw/zinc/49/52/99/356495299.db2.gz LLRHVZGQBCWQCV-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000639575814 356503894 /nfs/dbraw/zinc/50/38/94/356503894.db2.gz OGSMXCVNPHRJFJ-MRVPVSSYSA-N 1 2 207.220 1.279 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000639575814 356503898 /nfs/dbraw/zinc/50/38/98/356503898.db2.gz OGSMXCVNPHRJFJ-MRVPVSSYSA-N 1 2 207.220 1.279 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](CC)O1 ZINC000420955448 192279692 /nfs/dbraw/zinc/27/96/92/192279692.db2.gz LPOFGECPWXDTMG-RYUDHWBXSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1C[NH+](Cc2nccn2C)C[C@H](CC)O1 ZINC000420955448 192279693 /nfs/dbraw/zinc/27/96/93/192279693.db2.gz LPOFGECPWXDTMG-RYUDHWBXSA-N 1 2 237.347 1.810 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)C1CCC1 ZINC000639605691 356526957 /nfs/dbraw/zinc/52/69/57/356526957.db2.gz YHGJKEFFALDIBO-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)C1CCC1 ZINC000639605691 356526963 /nfs/dbraw/zinc/52/69/63/356526963.db2.gz YHGJKEFFALDIBO-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000639597066 356515919 /nfs/dbraw/zinc/51/59/19/356515919.db2.gz BHFNHAAXKNELKK-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000639597066 356515922 /nfs/dbraw/zinc/51/59/22/356515922.db2.gz BHFNHAAXKNELKK-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000639616485 356533494 /nfs/dbraw/zinc/53/34/94/356533494.db2.gz HZULTVWTBBGUSW-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000639616485 356533498 /nfs/dbraw/zinc/53/34/98/356533498.db2.gz HZULTVWTBBGUSW-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO CC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000639623454 356543804 /nfs/dbraw/zinc/54/38/04/356543804.db2.gz PROISYKTCPCTSV-LBPRGKRZSA-N 1 2 221.304 1.536 20 0 BDADLO CC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000639623454 356543807 /nfs/dbraw/zinc/54/38/07/356543807.db2.gz PROISYKTCPCTSV-LBPRGKRZSA-N 1 2 221.304 1.536 20 0 BDADLO C[C@H]1C[C@H]1Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000350424296 366273834 /nfs/dbraw/zinc/27/38/34/366273834.db2.gz PVSXRTBSZWSKJN-IUCAKERBSA-N 1 2 232.287 1.592 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC=CCC1 ZINC000623296517 356541874 /nfs/dbraw/zinc/54/18/74/356541874.db2.gz KZQIJIPJIKUGTA-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296811 356547489 /nfs/dbraw/zinc/54/74/89/356547489.db2.gz QOWZLCNHVLZEHY-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@]23CCOC3)cs1 ZINC000421014791 192302678 /nfs/dbraw/zinc/30/26/78/192302678.db2.gz HULHYGSGDLINKN-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@]23CCOC3)cs1 ZINC000421014791 192302680 /nfs/dbraw/zinc/30/26/80/192302680.db2.gz HULHYGSGDLINKN-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000449847911 202044667 /nfs/dbraw/zinc/04/46/67/202044667.db2.gz CMWWWSKSLGXGTM-NXEZZACHSA-N 1 2 234.299 1.974 20 0 BDADLO CCNC(=O)[C@@H]([NH2+]CC(F)(F)CC)C(C)C ZINC000639654090 356566371 /nfs/dbraw/zinc/56/63/71/356566371.db2.gz GBCAIZBEXXABHF-VIFPVBQESA-N 1 2 236.306 1.782 20 0 BDADLO CC(C)[N@H+](CC(=O)Nc1ccccn1)C1COC1 ZINC000639658500 356566734 /nfs/dbraw/zinc/56/67/34/356566734.db2.gz HJCJEFVCAWQIBA-UHFFFAOYSA-N 1 2 249.314 1.129 20 0 BDADLO CC(C)[N@@H+](CC(=O)Nc1ccccn1)C1COC1 ZINC000639658500 356566737 /nfs/dbraw/zinc/56/67/37/356566737.db2.gz HJCJEFVCAWQIBA-UHFFFAOYSA-N 1 2 249.314 1.129 20 0 BDADLO O=C(CCCC1CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300743 356570231 /nfs/dbraw/zinc/57/02/31/356570231.db2.gz ZDFOJJPDCCNHKO-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO O=C([C@@H]1CC12CCCC2)N1CCn2cc[nH+]c2C1 ZINC000336211188 134134584 /nfs/dbraw/zinc/13/45/84/134134584.db2.gz SFCBFWPUCDIZNE-NSHDSACASA-N 1 2 245.326 1.806 20 0 BDADLO C[C@@H]1C[NH+](Cc2ncnn2C)C[C@@H](C)S1 ZINC000336218897 134138294 /nfs/dbraw/zinc/13/82/94/134138294.db2.gz XHZDZDAUUODSSX-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303417 356593515 /nfs/dbraw/zinc/59/35/15/356593515.db2.gz BWZHIFLWHYVWOJ-DRZSPHRISA-N 1 2 247.342 1.606 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623300970 356575481 /nfs/dbraw/zinc/57/54/81/356575481.db2.gz AVXADLLSHXIUMH-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CC(C)(C)CO1 ZINC000639675276 356583969 /nfs/dbraw/zinc/58/39/69/356583969.db2.gz DKUPUBIJBGOZDD-MRVPVSSYSA-N 1 2 241.291 1.022 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CC(C)(C)CO1 ZINC000639675276 356583972 /nfs/dbraw/zinc/58/39/72/356583972.db2.gz DKUPUBIJBGOZDD-MRVPVSSYSA-N 1 2 241.291 1.022 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1C ZINC000642352144 363512805 /nfs/dbraw/zinc/51/28/05/363512805.db2.gz PBMSCTJXNWIGBD-IVZWLZJFSA-N 1 2 207.277 1.044 20 0 BDADLO C=Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000191932687 363521462 /nfs/dbraw/zinc/52/14/62/363521462.db2.gz IHMUFXFHYXIALO-UHFFFAOYSA-N 1 2 241.294 1.956 20 0 BDADLO CN(CC1(C)COC1)c1cc(CO)cc[nH+]1 ZINC000630092040 363514023 /nfs/dbraw/zinc/51/40/23/363514023.db2.gz CJVRTCZPFBNJNH-UHFFFAOYSA-N 1 2 222.288 1.047 20 0 BDADLO CCC(CC)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000422968454 192529900 /nfs/dbraw/zinc/52/99/00/192529900.db2.gz QYINQSDBTDEZFX-SNVBAGLBSA-N 1 2 241.360 1.695 20 0 BDADLO CCn1cc(NCc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000578144293 366324516 /nfs/dbraw/zinc/32/45/16/366324516.db2.gz OWHXUXFSEFAZPQ-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO c1csc(N2CCN(Cc3c[nH+]c[nH]3)CC2)n1 ZINC000179871374 366327993 /nfs/dbraw/zinc/32/79/93/366327993.db2.gz IJRDSSKQDNSNCH-UHFFFAOYSA-N 1 2 249.343 1.188 20 0 BDADLO c1csc(N2CCN(Cc3c[nH]c[nH+]3)CC2)n1 ZINC000179871374 366327995 /nfs/dbraw/zinc/32/79/95/366327995.db2.gz IJRDSSKQDNSNCH-UHFFFAOYSA-N 1 2 249.343 1.188 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC000450348086 202138305 /nfs/dbraw/zinc/13/83/05/202138305.db2.gz KYGFQSXTQFRDQU-DTWKUNHWSA-N 1 2 227.333 1.710 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC000450348086 202138307 /nfs/dbraw/zinc/13/83/07/202138307.db2.gz KYGFQSXTQFRDQU-DTWKUNHWSA-N 1 2 227.333 1.710 20 0 BDADLO C[NH+](C)[C@@H]1CCC[C@@H](N=c2[nH]ncs2)C1 ZINC000450367194 202145211 /nfs/dbraw/zinc/14/52/11/202145211.db2.gz BFRHDTFLNUYGKF-RKDXNWHRSA-N 1 2 226.349 1.245 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(C)C ZINC000040473567 356692432 /nfs/dbraw/zinc/69/24/32/356692432.db2.gz XNNCTPOPXGXKOV-WDEREUQCSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(C)C ZINC000040473567 356692436 /nfs/dbraw/zinc/69/24/36/356692436.db2.gz XNNCTPOPXGXKOV-WDEREUQCSA-N 1 2 228.336 1.010 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172473 363563943 /nfs/dbraw/zinc/56/39/43/363563943.db2.gz AKGCBGRHWDHYOS-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172473 363563948 /nfs/dbraw/zinc/56/39/48/363563948.db2.gz AKGCBGRHWDHYOS-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCCC(=O)NCCc1c[nH+]cn1C ZINC000542481709 325030220 /nfs/dbraw/zinc/03/02/20/325030220.db2.gz ALTCNWVFIWYLAF-UHFFFAOYSA-N 1 2 223.320 1.659 20 0 BDADLO c1nnsc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776617 356718209 /nfs/dbraw/zinc/71/82/09/356718209.db2.gz NYTZOKZNNQIXMB-JTQLQIEISA-N 1 2 235.316 1.598 20 0 BDADLO c1nnsc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776617 356718215 /nfs/dbraw/zinc/71/82/15/356718215.db2.gz NYTZOKZNNQIXMB-JTQLQIEISA-N 1 2 235.316 1.598 20 0 BDADLO O=C(COCc1[nH]cc[nH+]1)NC(C1CC1)C1CC1 ZINC000180054975 366366404 /nfs/dbraw/zinc/36/64/04/366366404.db2.gz HJMXFSDQJWGTOO-UHFFFAOYSA-N 1 2 249.314 1.231 20 0 BDADLO CC(C)[C@H](C)NC(=O)COCc1[nH]cc[nH+]1 ZINC000180054604 366366655 /nfs/dbraw/zinc/36/66/55/366366655.db2.gz MNAPKZAVFGKAFP-VIFPVBQESA-N 1 2 225.292 1.087 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC[C@@H](C)O)s1 ZINC000450436521 202167956 /nfs/dbraw/zinc/16/79/56/202167956.db2.gz JDPLLWLURUKLBA-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC[C@@H](C)O)s1 ZINC000450436521 202167959 /nfs/dbraw/zinc/16/79/59/202167959.db2.gz JDPLLWLURUKLBA-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO Cn1ccnc1[C@H]([NH2+]CCF)C(C)(C)CO ZINC000639773473 356712903 /nfs/dbraw/zinc/71/29/03/356712903.db2.gz VEGYXNSJCZPGLM-VIFPVBQESA-N 1 2 229.299 1.039 20 0 BDADLO Cc1ccc(NC(=O)N2CCC23COC3)c(C)[nH+]1 ZINC000639796224 356752823 /nfs/dbraw/zinc/75/28/23/356752823.db2.gz QELUDWNJMSSWNS-UHFFFAOYSA-N 1 2 247.298 1.705 20 0 BDADLO Cn1cc(C2=CCC[N@H+](Cc3cnc[nH]3)C2)cn1 ZINC000639798239 356756135 /nfs/dbraw/zinc/75/61/35/356756135.db2.gz WNFWBQJCDIURHB-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1cc(C2=CCC[N@@H+](Cc3cnc[nH]3)C2)cn1 ZINC000639798239 356756138 /nfs/dbraw/zinc/75/61/38/356756138.db2.gz WNFWBQJCDIURHB-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO C[C@@H]1C[NH+](CCc2cnccn2)C[C@@H](C)C1=O ZINC000639801091 356764530 /nfs/dbraw/zinc/76/45/30/356764530.db2.gz OXJUIPRHVLLDTB-GHMZBOCLSA-N 1 2 233.315 1.176 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCC1)CC2 ZINC000623351410 356774576 /nfs/dbraw/zinc/77/45/76/356774576.db2.gz PEKSVVNIDJYNKL-LLVKDONJSA-N 1 2 233.315 1.376 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000639824401 356804782 /nfs/dbraw/zinc/80/47/82/356804782.db2.gz JWQNBVPDVQZJIJ-DTWKUNHWSA-N 1 2 205.248 1.488 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000639824401 356804784 /nfs/dbraw/zinc/80/47/84/356804784.db2.gz JWQNBVPDVQZJIJ-DTWKUNHWSA-N 1 2 205.248 1.488 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H](OC)C2)c1 ZINC000639830926 356813091 /nfs/dbraw/zinc/81/30/91/356813091.db2.gz PYSCHNPABQTFIY-ZDUSSCGKSA-N 1 2 237.299 1.500 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H](OC)C2)c1 ZINC000639830926 356813094 /nfs/dbraw/zinc/81/30/94/356813094.db2.gz PYSCHNPABQTFIY-ZDUSSCGKSA-N 1 2 237.299 1.500 20 0 BDADLO CO[C@H]1C[N@@H+]([C@H](C)c2ccccn2)CCO1 ZINC000639834111 356821454 /nfs/dbraw/zinc/82/14/54/356821454.db2.gz NUCWBNVQUDFQIF-ZYHUDNBSSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+]([C@H](C)c2ccccn2)CCO1 ZINC000639834111 356821456 /nfs/dbraw/zinc/82/14/56/356821456.db2.gz NUCWBNVQUDFQIF-ZYHUDNBSSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000639837739 356827393 /nfs/dbraw/zinc/82/73/93/356827393.db2.gz RSCFRYKRGRLIFH-MCIONIFRSA-N 1 2 233.311 1.847 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000639837739 356827395 /nfs/dbraw/zinc/82/73/95/356827395.db2.gz RSCFRYKRGRLIFH-MCIONIFRSA-N 1 2 233.311 1.847 20 0 BDADLO CO[C@@H]1C[N@H+](CCc2cccc(C)n2)CCO1 ZINC000639837446 356830643 /nfs/dbraw/zinc/83/06/43/356830643.db2.gz QSGKRNOASOALCU-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CO[C@@H]1C[N@@H+](CCc2cccc(C)n2)CCO1 ZINC000639837446 356830644 /nfs/dbraw/zinc/83/06/44/356830644.db2.gz QSGKRNOASOALCU-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CCC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000450487777 202182707 /nfs/dbraw/zinc/18/27/07/202182707.db2.gz VYXJHEXDZYNGCE-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450487777 202182710 /nfs/dbraw/zinc/18/27/10/202182710.db2.gz VYXJHEXDZYNGCE-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000450487777 202182714 /nfs/dbraw/zinc/18/27/14/202182714.db2.gz VYXJHEXDZYNGCE-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000450487777 202182715 /nfs/dbraw/zinc/18/27/15/202182715.db2.gz VYXJHEXDZYNGCE-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO c1coc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000204030016 538727786 /nfs/dbraw/zinc/72/77/86/538727786.db2.gz UVQDUNFWMXIXLE-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO c1coc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000204030016 538727792 /nfs/dbraw/zinc/72/77/92/538727792.db2.gz UVQDUNFWMXIXLE-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncnn1CC)c1ccn(C)n1 ZINC000359073681 356883470 /nfs/dbraw/zinc/88/34/70/356883470.db2.gz VUCCDAQYUKDMIM-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@H]1c1ncccn1 ZINC000639842765 356837184 /nfs/dbraw/zinc/83/71/84/356837184.db2.gz JYVHNZSVPAXIBD-NSHDSACASA-N 1 2 243.314 1.547 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054347042 363569483 /nfs/dbraw/zinc/56/94/83/363569483.db2.gz BINWALWSXQTBFN-RYUDHWBXSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054347042 363569485 /nfs/dbraw/zinc/56/94/85/363569485.db2.gz BINWALWSXQTBFN-RYUDHWBXSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C)cn1 ZINC000359314715 356887994 /nfs/dbraw/zinc/88/79/94/356887994.db2.gz XDMWMPFFWPZBBD-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C)cn1 ZINC000359314715 356888000 /nfs/dbraw/zinc/88/80/00/356888000.db2.gz XDMWMPFFWPZBBD-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1ncnn1C ZINC000361134366 356918194 /nfs/dbraw/zinc/91/81/94/356918194.db2.gz FDPLSPLKXWOGKN-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO CC[N@H+](Cc1[nH]ncc1C)[C@H]1CCOC1 ZINC000361236210 356920761 /nfs/dbraw/zinc/92/07/61/356920761.db2.gz IDMOKTLMUMZYLX-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CC[N@@H+](Cc1[nH]ncc1C)[C@H]1CCOC1 ZINC000361236210 356920765 /nfs/dbraw/zinc/92/07/65/356920765.db2.gz IDMOKTLMUMZYLX-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cscn1 ZINC000450550531 202193968 /nfs/dbraw/zinc/19/39/68/202193968.db2.gz BXRISTIYUPBXLB-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cscn1 ZINC000450550531 202193970 /nfs/dbraw/zinc/19/39/70/202193970.db2.gz BXRISTIYUPBXLB-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000361940015 356939451 /nfs/dbraw/zinc/93/94/51/356939451.db2.gz AKHACNWGIXKUQL-MNOVXSKESA-N 1 2 225.288 1.424 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000361940015 356939456 /nfs/dbraw/zinc/93/94/56/356939456.db2.gz AKHACNWGIXKUQL-MNOVXSKESA-N 1 2 225.288 1.424 20 0 BDADLO CCc1nnc(CNc2cc[nH+]c(C(C)C)n2)[nH]1 ZINC000450553918 202195851 /nfs/dbraw/zinc/19/58/51/202195851.db2.gz QYIMNEJXQVCNDJ-UHFFFAOYSA-N 1 2 246.318 1.315 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H]32)O1 ZINC000368332722 356969066 /nfs/dbraw/zinc/96/90/66/356969066.db2.gz RGGRMVHXDAXQBD-OUAUKWLOSA-N 1 2 211.305 1.417 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCO[C@@H]3C[C@@H]32)O1 ZINC000368332722 356969068 /nfs/dbraw/zinc/96/90/68/356969068.db2.gz RGGRMVHXDAXQBD-OUAUKWLOSA-N 1 2 211.305 1.417 20 0 BDADLO CC[C@H](CO)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000450576304 202202534 /nfs/dbraw/zinc/20/25/34/202202534.db2.gz BVRPDTKSSKACPU-SNVBAGLBSA-N 1 2 223.320 1.807 20 0 BDADLO CCOC1(C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000450576407 202203770 /nfs/dbraw/zinc/20/37/70/202203770.db2.gz CBQIWXMUFFMKML-UHFFFAOYSA-N 1 2 233.315 1.969 20 0 BDADLO Cc1cccc(C)c1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639870499 357030078 /nfs/dbraw/zinc/03/00/78/357030078.db2.gz JYDZKQVVIJGXTN-CQSZACIVSA-N 1 2 248.370 1.412 20 0 BDADLO C[C@H](CC(=O)NC1CC(F)(F)C1)n1cc[nH+]c1 ZINC000582305770 357042975 /nfs/dbraw/zinc/04/29/75/357042975.db2.gz MUTBRFQPBWYPIY-MRVPVSSYSA-N 1 2 243.257 1.748 20 0 BDADLO CC[C@H](NC(=O)COCC(F)F)c1[nH]cc[nH+]1 ZINC000626483571 357046946 /nfs/dbraw/zinc/04/69/46/357046946.db2.gz GMPGOMDIKUUWLT-ZETCQYMHSA-N 1 2 247.245 1.259 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCCCO1 ZINC000582311676 357051669 /nfs/dbraw/zinc/05/16/69/357051669.db2.gz UENFKAZJCWUFLP-SNVBAGLBSA-N 1 2 237.303 1.088 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C1CC1)C1CC1 ZINC000626468753 357005367 /nfs/dbraw/zinc/00/53/67/357005367.db2.gz VDCLIGFWRXIEJC-UHFFFAOYSA-N 1 2 231.299 1.971 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC1 ZINC000389981958 357077030 /nfs/dbraw/zinc/07/70/30/357077030.db2.gz KUAWWZNCLVBSMQ-ZJUUUORDSA-N 1 2 247.285 1.963 20 0 BDADLO Cc1cc(N)nc(SCCOC2CCC2)[nH+]1 ZINC000390162332 357085305 /nfs/dbraw/zinc/08/53/05/357085305.db2.gz CJPZNGDDOHIDNF-UHFFFAOYSA-N 1 2 239.344 1.859 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCC(C)(F)F ZINC000390286648 357088033 /nfs/dbraw/zinc/08/80/33/357088033.db2.gz QUZDQPQVBHYYRE-UHFFFAOYSA-N 1 2 246.261 1.337 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCC(C)(F)F ZINC000390286648 357088037 /nfs/dbraw/zinc/08/80/37/357088037.db2.gz QUZDQPQVBHYYRE-UHFFFAOYSA-N 1 2 246.261 1.337 20 0 BDADLO CC(C)[C@@H](Nc1cccnn1)c1[nH]cc[nH+]1 ZINC000390341606 357090311 /nfs/dbraw/zinc/09/03/11/357090311.db2.gz NBZWVLBAHHCZNQ-SNVBAGLBSA-N 1 2 217.276 1.431 20 0 BDADLO CC(C)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000375085383 357172567 /nfs/dbraw/zinc/17/25/67/357172567.db2.gz RUBXGSJSHDUNEZ-UHFFFAOYSA-N 1 2 224.308 1.346 20 0 BDADLO O=c1[nH]nc(C[NH2+][C@@H]2CC3CCC2CC3)[nH]1 ZINC000392385756 357151051 /nfs/dbraw/zinc/15/10/51/357151051.db2.gz PQLUZGKAGJXCKG-AMDVSUOASA-N 1 2 222.292 1.179 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)no1 ZINC000303992369 357155299 /nfs/dbraw/zinc/15/52/99/357155299.db2.gz MTOQVIMLWBGHBM-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)no1 ZINC000303992369 357155300 /nfs/dbraw/zinc/15/53/00/357155300.db2.gz MTOQVIMLWBGHBM-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccnc(C)c1 ZINC000391198930 357126679 /nfs/dbraw/zinc/12/66/79/357126679.db2.gz YNRXMLRKOMSLNK-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCc1cncc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000356772150 538816069 /nfs/dbraw/zinc/81/60/69/538816069.db2.gz CMKGHZPWMRDWMM-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000377568530 357235223 /nfs/dbraw/zinc/23/52/23/357235223.db2.gz QSRDLFPQNBFXTR-MNOVXSKESA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000377568530 357235229 /nfs/dbraw/zinc/23/52/29/357235229.db2.gz QSRDLFPQNBFXTR-MNOVXSKESA-N 1 2 239.319 1.676 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)C(F)F)c(C)c[nH+]1 ZINC000639901279 357289670 /nfs/dbraw/zinc/28/96/70/357289670.db2.gz HIRVHEIYZDXPCQ-MRVPVSSYSA-N 1 2 243.257 1.895 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+]Cc1[nH]ncc1Br ZINC000393713469 357293475 /nfs/dbraw/zinc/29/34/75/357293475.db2.gz CIBPDHIYZGFZGJ-RNFRBKRXSA-N 1 2 244.136 1.918 20 0 BDADLO CCC(C)(C)OC1C[NH+](Cc2cn[nH]c2)C1 ZINC000628422444 357245288 /nfs/dbraw/zinc/24/52/88/357245288.db2.gz JAVIFZYWXYTNJR-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)on1 ZINC000393294241 357280460 /nfs/dbraw/zinc/28/04/60/357280460.db2.gz BRUQZTJKCNNQKA-GXSJLCMTSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)on1 ZINC000393294248 357280805 /nfs/dbraw/zinc/28/08/05/357280805.db2.gz BRUQZTJKCNNQKA-ONGXEEELSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C(F)F ZINC000639900000 357311208 /nfs/dbraw/zinc/31/12/08/357311208.db2.gz OTHNPWGVQWGBOU-ZETCQYMHSA-N 1 2 229.230 1.587 20 0 BDADLO Cn1ncc(Cl)c1C[NH2+]Cc1ccno1 ZINC000394497700 357362515 /nfs/dbraw/zinc/36/25/15/357362515.db2.gz BWONNVYRYIVIQL-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ncccc1F ZINC000582795867 357397346 /nfs/dbraw/zinc/39/73/46/357397346.db2.gz CSTVBJPFRMBWEC-UHFFFAOYSA-N 1 2 232.262 1.662 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](CC3CC3)C2)[nH]1 ZINC000582799447 357399342 /nfs/dbraw/zinc/39/93/42/357399342.db2.gz PYPWNPWYGIZGQU-VIFPVBQESA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](CC3CC3)C2)[nH]1 ZINC000582799447 357399344 /nfs/dbraw/zinc/39/93/44/357399344.db2.gz PYPWNPWYGIZGQU-VIFPVBQESA-N 1 2 222.292 1.132 20 0 BDADLO Cc1nc(C[NH2+][C@@H](CO)C2CCCCC2)no1 ZINC000395442507 357441754 /nfs/dbraw/zinc/44/17/54/357441754.db2.gz VHCSYJZTRRSHIE-NSHDSACASA-N 1 2 239.319 1.409 20 0 BDADLO CCn1cc[nH+]c1CNc1nccnc1C#N ZINC000385327793 357404627 /nfs/dbraw/zinc/40/46/27/357404627.db2.gz JVILAMJWPBBYTD-UHFFFAOYSA-N 1 2 228.259 1.177 20 0 BDADLO CO[C@@H](C)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000582854569 357420535 /nfs/dbraw/zinc/42/05/35/357420535.db2.gz RIVHNPGCUIERPZ-JTQLQIEISA-N 1 2 234.299 1.476 20 0 BDADLO CO[C@@H](C)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000582854569 357420541 /nfs/dbraw/zinc/42/05/41/357420541.db2.gz RIVHNPGCUIERPZ-JTQLQIEISA-N 1 2 234.299 1.476 20 0 BDADLO CC[N@H+](CC(=O)N1CCCC1)Cc1ccoc1 ZINC000102519070 357477240 /nfs/dbraw/zinc/47/72/40/357477240.db2.gz CKCFRAUUWAZNSV-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO CC[N@@H+](CC(=O)N1CCCC1)Cc1ccoc1 ZINC000102519070 357477242 /nfs/dbraw/zinc/47/72/42/357477242.db2.gz CKCFRAUUWAZNSV-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000231243532 357599918 /nfs/dbraw/zinc/59/99/18/357599918.db2.gz WZXQZAYWCRDYCH-VHSXEESVSA-N 1 2 225.292 1.425 20 0 BDADLO Cc1c[nH+]ccc1CCN(CCO)CC(F)F ZINC000397648934 357618300 /nfs/dbraw/zinc/61/83/00/357618300.db2.gz XCSRTRDSSQSJRX-UHFFFAOYSA-N 1 2 244.285 1.492 20 0 BDADLO CN1CCC[N@H+](Cc2cccc(F)c2)CC1=O ZINC000191085211 357748550 /nfs/dbraw/zinc/74/85/50/357748550.db2.gz VFZHJNSGBVUOPI-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO CN1CCC[N@@H+](Cc2cccc(F)c2)CC1=O ZINC000191085211 357748555 /nfs/dbraw/zinc/74/85/55/357748555.db2.gz VFZHJNSGBVUOPI-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192145147 357824415 /nfs/dbraw/zinc/82/44/15/357824415.db2.gz STUDOOZPQDZCNI-VIFPVBQESA-N 1 2 239.323 1.037 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192145147 357824418 /nfs/dbraw/zinc/82/44/18/357824418.db2.gz STUDOOZPQDZCNI-VIFPVBQESA-N 1 2 239.323 1.037 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1C)[C@@H](C)O ZINC000191963169 357807232 /nfs/dbraw/zinc/80/72/32/357807232.db2.gz LKMGFYFLGTZELK-WYUUTHIRSA-N 1 2 243.347 1.325 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@@H](C)O ZINC000191966081 357807356 /nfs/dbraw/zinc/80/73/56/357807356.db2.gz OITDYOWAQMFPCI-QJPTWQEYSA-N 1 2 243.347 1.633 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C1CC1 ZINC000234581534 357812755 /nfs/dbraw/zinc/81/27/55/357812755.db2.gz FNXPKUOTHHPXJP-IJLUTSLNSA-N 1 2 239.315 1.095 20 0 BDADLO CCC(CC)C[N@@H+]1CCS(=O)(=O)CC[C@H]1C ZINC000192055608 357816277 /nfs/dbraw/zinc/81/62/77/357816277.db2.gz XOIJJJOCJBHDSX-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO CCC(CC)C[N@H+]1CCS(=O)(=O)CC[C@H]1C ZINC000192055608 357816278 /nfs/dbraw/zinc/81/62/78/357816278.db2.gz XOIJJJOCJBHDSX-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192068205 357816451 /nfs/dbraw/zinc/81/64/51/357816451.db2.gz KMTPGPXGNMVIMB-GHMZBOCLSA-N 1 2 233.377 1.399 20 0 BDADLO CC[C@@H](C)C[N@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192068205 357816457 /nfs/dbraw/zinc/81/64/57/357816457.db2.gz KMTPGPXGNMVIMB-GHMZBOCLSA-N 1 2 233.377 1.399 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)C1CCCCC1 ZINC000191672749 357783303 /nfs/dbraw/zinc/78/33/03/357783303.db2.gz LZVABKMJNPVEAL-ZDUSSCGKSA-N 1 2 237.347 1.831 20 0 BDADLO COc1ccc[nH+]c1NCc1cnc(C)o1 ZINC000397892798 357785361 /nfs/dbraw/zinc/78/53/61/357785361.db2.gz HCFXOXHCRMJYPB-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO COC1(CC(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000234705359 357826353 /nfs/dbraw/zinc/82/63/53/357826353.db2.gz PWPVRTVHTPGHTD-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925711 357830138 /nfs/dbraw/zinc/83/01/38/357830138.db2.gz CPFWWHLSULFNEM-GXSJLCMTSA-N 1 2 236.315 1.926 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925711 357830139 /nfs/dbraw/zinc/83/01/39/357830139.db2.gz CPFWWHLSULFNEM-GXSJLCMTSA-N 1 2 236.315 1.926 20 0 BDADLO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csnn1 ZINC000398251134 357871292 /nfs/dbraw/zinc/87/12/92/357871292.db2.gz NMNJNRHUUVUGHR-GFCCVEGCSA-N 1 2 246.339 1.897 20 0 BDADLO CCn1ncnc1C[N@H+](C(C)C)C1CC1 ZINC000193309287 357873790 /nfs/dbraw/zinc/87/37/90/357873790.db2.gz XGBBFOGYYMJQPQ-UHFFFAOYSA-N 1 2 208.309 1.671 20 0 BDADLO CCn1ncnc1C[N@@H+](C(C)C)C1CC1 ZINC000193309287 357873795 /nfs/dbraw/zinc/87/37/95/357873795.db2.gz XGBBFOGYYMJQPQ-UHFFFAOYSA-N 1 2 208.309 1.671 20 0 BDADLO Cc1cc(NCCC2CC(O)C2)nc(C2CC2)[nH+]1 ZINC000583300262 357885755 /nfs/dbraw/zinc/88/57/55/357885755.db2.gz IPMKOAVWEYNKQX-UHFFFAOYSA-N 1 2 247.342 1.657 20 0 BDADLO CCc1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000583326985 357906747 /nfs/dbraw/zinc/90/67/47/357906747.db2.gz VPMLXIDPGHKRNQ-UHFFFAOYSA-N 1 2 231.303 1.062 20 0 BDADLO CC(C)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610448281 357942055 /nfs/dbraw/zinc/94/20/55/357942055.db2.gz DSKQOGSLXRTXST-SNVBAGLBSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610448281 357942061 /nfs/dbraw/zinc/94/20/61/357942061.db2.gz DSKQOGSLXRTXST-SNVBAGLBSA-N 1 2 229.320 1.437 20 0 BDADLO Cc1cccc(NC(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000639939910 357950673 /nfs/dbraw/zinc/95/06/73/357950673.db2.gz SUCHPFIACBRUNX-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cncs1 ZINC000133381395 325291992 /nfs/dbraw/zinc/29/19/92/325291992.db2.gz LTXICCNIFZIFOD-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO CCc1nnc(C[NH+]2CCC(CCF)CC2)[nH]1 ZINC000639989290 358028744 /nfs/dbraw/zinc/02/87/44/358028744.db2.gz BIIWBGDXZBPZPS-UHFFFAOYSA-N 1 2 240.326 1.939 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000639972622 358031685 /nfs/dbraw/zinc/03/16/85/358031685.db2.gz XAQHYXHHJFBQCZ-NSHDSACASA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000639972622 358031689 /nfs/dbraw/zinc/03/16/89/358031689.db2.gz XAQHYXHHJFBQCZ-NSHDSACASA-N 1 2 223.320 1.717 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000628458100 358040238 /nfs/dbraw/zinc/04/02/38/358040238.db2.gz CTHRONYIXDDOLT-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000628458100 358040239 /nfs/dbraw/zinc/04/02/39/358040239.db2.gz CTHRONYIXDDOLT-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000610662224 358047606 /nfs/dbraw/zinc/04/76/06/358047606.db2.gz ZPLQBZISKMMIFT-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662224 358047607 /nfs/dbraw/zinc/04/76/07/358047607.db2.gz ZPLQBZISKMMIFT-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1cscn1 ZINC000584540363 358049164 /nfs/dbraw/zinc/04/91/64/358049164.db2.gz WGXSRHMPOMVQKQ-UHFFFAOYSA-N 1 2 234.328 1.626 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1nnc2ccccn21 ZINC000036901659 358055538 /nfs/dbraw/zinc/05/55/38/358055538.db2.gz HTHLAESLJCTVHI-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)(C)C)no1)C[C@H](C)O ZINC000352195335 535389523 /nfs/dbraw/zinc/38/95/23/535389523.db2.gz PYBDDKKFUQGJND-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@H+](Cc1nc(C(C)(C)C)no1)C[C@H](C)O ZINC000352195335 535389525 /nfs/dbraw/zinc/38/95/25/535389525.db2.gz PYBDDKKFUQGJND-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO Cc1cc(N2CCC[C@H](CCO)C2)nc[nH+]1 ZINC000051895273 358090567 /nfs/dbraw/zinc/09/05/67/358090567.db2.gz YVMOUPKZZVKCBF-LLVKDONJSA-N 1 2 221.304 1.384 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000053148461 358106626 /nfs/dbraw/zinc/10/66/26/358106626.db2.gz NRCMUBQLWUXCNT-UHFFFAOYSA-N 1 2 233.271 1.006 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000053148461 358106628 /nfs/dbraw/zinc/10/66/28/358106628.db2.gz NRCMUBQLWUXCNT-UHFFFAOYSA-N 1 2 233.271 1.006 20 0 BDADLO FCC[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000628459032 358093927 /nfs/dbraw/zinc/09/39/27/358093927.db2.gz KALDHVDTYMOVNG-VIFPVBQESA-N 1 2 205.248 1.549 20 0 BDADLO FCC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000628459032 358093930 /nfs/dbraw/zinc/09/39/30/358093930.db2.gz KALDHVDTYMOVNG-VIFPVBQESA-N 1 2 205.248 1.549 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](CCF)C2)[nH+]1 ZINC000628459592 358094685 /nfs/dbraw/zinc/09/46/85/358094685.db2.gz VBNCNNPDKCGBCW-SNVBAGLBSA-N 1 2 227.283 1.279 20 0 BDADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1cccc(F)c1 ZINC000584758781 358170174 /nfs/dbraw/zinc/17/01/74/358170174.db2.gz LTLWKFKUIFQNFO-UHFFFAOYSA-N 1 2 241.247 1.350 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000450623442 202215259 /nfs/dbraw/zinc/21/52/59/202215259.db2.gz PYHDHRLVDZZBIG-YWVKMMECSA-N 1 2 241.360 1.692 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000450623442 202215263 /nfs/dbraw/zinc/21/52/63/202215263.db2.gz PYHDHRLVDZZBIG-YWVKMMECSA-N 1 2 241.360 1.692 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC(C)(C)CO)[nH+]1 ZINC000450630966 202218706 /nfs/dbraw/zinc/21/87/06/202218706.db2.gz VRHLGJNOKCNFAW-UHFFFAOYSA-N 1 2 248.330 1.509 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cnn(C)c2)[nH+]1 ZINC000584844659 358200701 /nfs/dbraw/zinc/20/07/01/358200701.db2.gz HUQMNDTTXQWHSN-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CCN(c1cc[nH+]c(C(C)C)n1)C1COC1 ZINC000450656839 202227923 /nfs/dbraw/zinc/22/79/23/202227923.db2.gz WXBNRVJPJGLNFP-UHFFFAOYSA-N 1 2 221.304 1.825 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171966209 134263363 /nfs/dbraw/zinc/26/33/63/134263363.db2.gz NJAADZYAXXQBQJ-RYUDHWBXSA-N 1 2 242.363 1.115 20 0 BDADLO CC/C=C\CNc1[nH+]cnc(-n2cccn2)c1N ZINC000450687429 202234806 /nfs/dbraw/zinc/23/48/06/202234806.db2.gz BEARXFAZWRLYAM-ARJAWSKDSA-N 1 2 244.302 1.623 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cnn[nH]2)C[C@H]1O ZINC000450694403 202237263 /nfs/dbraw/zinc/23/72/63/202237263.db2.gz ORKMWZGNMFBGRG-GHMZBOCLSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@H]1O ZINC000450694403 202237267 /nfs/dbraw/zinc/23/72/67/202237267.db2.gz ORKMWZGNMFBGRG-GHMZBOCLSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2c[nH]nn2)C[C@H]1O ZINC000450694403 202237270 /nfs/dbraw/zinc/23/72/70/202237270.db2.gz ORKMWZGNMFBGRG-GHMZBOCLSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@H]1O ZINC000450694403 202237272 /nfs/dbraw/zinc/23/72/72/202237272.db2.gz ORKMWZGNMFBGRG-GHMZBOCLSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cn[nH]n2)C[C@H]1O ZINC000450694403 202237276 /nfs/dbraw/zinc/23/72/76/202237276.db2.gz ORKMWZGNMFBGRG-GHMZBOCLSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@H]1O ZINC000450694403 202237279 /nfs/dbraw/zinc/23/72/79/202237279.db2.gz ORKMWZGNMFBGRG-GHMZBOCLSA-N 1 2 238.335 1.034 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000450708984 202239742 /nfs/dbraw/zinc/23/97/42/202239742.db2.gz SESYOCPSWYOHFR-UPJWGTAASA-N 1 2 247.342 1.915 20 0 BDADLO CC[C@H]([NH2+][C@H](C)[C@H](C)CO)C(=O)OC(C)(C)C ZINC000450735483 202249400 /nfs/dbraw/zinc/24/94/00/202249400.db2.gz AWJPAZDZVSYJOQ-MXWKQRLJSA-N 1 2 245.363 1.713 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)COC ZINC000578205476 366390567 /nfs/dbraw/zinc/39/05/67/366390567.db2.gz RHGLBXOQVVOPIZ-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccco3)no2)C1 ZINC000351189923 366446140 /nfs/dbraw/zinc/44/61/40/366446140.db2.gz MUQAWCZQBHMIRD-SECBINFHSA-N 1 2 235.243 1.333 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(-c3ccco3)no2)C1 ZINC000351189923 366446147 /nfs/dbraw/zinc/44/61/47/366446147.db2.gz MUQAWCZQBHMIRD-SECBINFHSA-N 1 2 235.243 1.333 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352010066 535426252 /nfs/dbraw/zinc/42/62/52/535426252.db2.gz YRZSBNGMGXVTFY-RKDXNWHRSA-N 1 2 235.274 1.915 20 0 BDADLO CS[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000048128763 358616975 /nfs/dbraw/zinc/61/69/75/358616975.db2.gz KXJREGQRUPSAAJ-RKDXNWHRSA-N 1 2 227.333 1.139 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000130689841 358639706 /nfs/dbraw/zinc/63/97/06/358639706.db2.gz ZMQRGQIYHLAASC-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000130689841 358639709 /nfs/dbraw/zinc/63/97/09/358639709.db2.gz ZMQRGQIYHLAASC-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000048577290 358640801 /nfs/dbraw/zinc/64/08/01/358640801.db2.gz SVZBGYWNUQRAOE-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000048577290 358640802 /nfs/dbraw/zinc/64/08/02/358640802.db2.gz SVZBGYWNUQRAOE-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CCOCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000130876474 358651116 /nfs/dbraw/zinc/65/11/16/358651116.db2.gz RKKCRFGFTYEPIQ-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO CCCC[N@H+](CCO)Cc1noc(CCC)n1 ZINC000048755830 358653297 /nfs/dbraw/zinc/65/32/97/358653297.db2.gz AQGYJONMPKTYQU-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCC[N@@H+](CCO)Cc1noc(CCC)n1 ZINC000048755830 358653300 /nfs/dbraw/zinc/65/33/00/358653300.db2.gz AQGYJONMPKTYQU-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCc1nc(C[N@@H+]2CCCC[C@H]2CO)no1 ZINC000048755825 358653357 /nfs/dbraw/zinc/65/33/57/358653357.db2.gz GMFDJGDBIWUDSX-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCCC[C@H]2CO)no1 ZINC000048755825 358653361 /nfs/dbraw/zinc/65/33/61/358653361.db2.gz GMFDJGDBIWUDSX-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO C[C@@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000133332152 358750680 /nfs/dbraw/zinc/75/06/80/358750680.db2.gz RMZUIDARNAPFBA-RKDXNWHRSA-N 1 2 231.303 1.964 20 0 BDADLO Cc1cc(N)nc(SCCCc2cn[nH]c2)[nH+]1 ZINC000133369975 358751588 /nfs/dbraw/zinc/75/15/88/358751588.db2.gz XHLKIMVAKADYGZ-UHFFFAOYSA-N 1 2 249.343 1.815 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000176456075 134291587 /nfs/dbraw/zinc/29/15/87/134291587.db2.gz XUMHDUGXFMGQCD-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000176456075 134291588 /nfs/dbraw/zinc/29/15/88/134291588.db2.gz XUMHDUGXFMGQCD-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1cc(NCc2[nH+]ccn2C)ccc1C(N)=O ZINC000133738559 358766319 /nfs/dbraw/zinc/76/63/19/358766319.db2.gz RDKSQNVGTZJUJY-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CCCC[N@H+](CCO)Cc1nc(CCC)no1 ZINC000050106188 358716019 /nfs/dbraw/zinc/71/60/19/358716019.db2.gz LHNLGKLWCNIVCR-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nc(CCC)no1 ZINC000050106188 358716021 /nfs/dbraw/zinc/71/60/21/358716021.db2.gz LHNLGKLWCNIVCR-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000135546629 358844052 /nfs/dbraw/zinc/84/40/52/358844052.db2.gz PHPFHFIXIRADPV-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000135546629 358844058 /nfs/dbraw/zinc/84/40/58/358844058.db2.gz PHPFHFIXIRADPV-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)c(F)c1 ZINC000135780303 358849693 /nfs/dbraw/zinc/84/96/93/358849693.db2.gz XHCACRHZIHGGGG-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC2(CC2)C1 ZINC000564099245 358874543 /nfs/dbraw/zinc/87/45/43/358874543.db2.gz HJWDQZKZANEJEE-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC2(CC2)C1 ZINC000564099245 358874548 /nfs/dbraw/zinc/87/45/48/358874548.db2.gz HJWDQZKZANEJEE-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cccc(O)c1 ZINC000054860354 358877810 /nfs/dbraw/zinc/87/78/10/358877810.db2.gz SAAIXNQQKXKKSU-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO C[C@H](O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000136552090 358881878 /nfs/dbraw/zinc/88/18/78/358881878.db2.gz LLJZHKRAQLUPIC-QMMMGPOBSA-N 1 2 249.245 1.331 20 0 BDADLO CC[C@@H](NC(=O)c1cnc(C)cn1)c1[nH]cc[nH+]1 ZINC000140444835 358922293 /nfs/dbraw/zinc/92/22/93/358922293.db2.gz SKANLQPGHHFSCU-SECBINFHSA-N 1 2 245.286 1.389 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(F)c1 ZINC000061511797 358934351 /nfs/dbraw/zinc/93/43/51/358934351.db2.gz GUDYBXKAMBXTKS-UHFFFAOYSA-N 1 2 247.273 1.831 20 0 BDADLO C([C@H]1CCCOC1)[N@@H+]1OC2CCC1CC2 ZINC000640231708 358947971 /nfs/dbraw/zinc/94/79/71/358947971.db2.gz STXBBHDYNOLPOE-VOMCLLRMSA-N 1 2 211.305 1.971 20 0 BDADLO C([C@H]1CCCOC1)[N@H+]1OC2CCC1CC2 ZINC000640231708 358947973 /nfs/dbraw/zinc/94/79/73/358947973.db2.gz STXBBHDYNOLPOE-VOMCLLRMSA-N 1 2 211.305 1.971 20 0 BDADLO Cc1ccc(CCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070990220 359070010 /nfs/dbraw/zinc/07/00/10/359070010.db2.gz NLNAVGBFUPATOU-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](O)C1 ZINC000074313447 359114618 /nfs/dbraw/zinc/11/46/18/359114618.db2.gz PYWIPPLJMZUPHL-BDAKNGLRSA-N 1 2 239.319 1.495 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](O)C1 ZINC000074313447 359114621 /nfs/dbraw/zinc/11/46/21/359114621.db2.gz PYWIPPLJMZUPHL-BDAKNGLRSA-N 1 2 239.319 1.495 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@@H](C)O1 ZINC000247701232 359242117 /nfs/dbraw/zinc/24/21/17/359242117.db2.gz XYLMCJBSNJOYOR-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@@H](C)O1 ZINC000247701232 359242120 /nfs/dbraw/zinc/24/21/20/359242120.db2.gz XYLMCJBSNJOYOR-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000247747321 359244439 /nfs/dbraw/zinc/24/44/39/359244439.db2.gz YHFGYRQYZGTELS-ZJUUUORDSA-N 1 2 209.293 1.409 20 0 BDADLO CSCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000611246577 359244896 /nfs/dbraw/zinc/24/48/96/359244896.db2.gz GYCYMOUPTSZERZ-UHFFFAOYSA-N 1 2 239.344 1.605 20 0 BDADLO CCCc1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000075779275 359210222 /nfs/dbraw/zinc/21/02/22/359210222.db2.gz UQGLFXLNAQLFAT-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000075779275 359210224 /nfs/dbraw/zinc/21/02/24/359210224.db2.gz UQGLFXLNAQLFAT-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CC[C@]1(Nc2cc(C)[nH+]cn2)CCOC1 ZINC000308913240 491140094 /nfs/dbraw/zinc/14/00/94/491140094.db2.gz FEUQMUGOBUEJGE-NSHDSACASA-N 1 2 207.277 1.766 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611648992 359408445 /nfs/dbraw/zinc/40/84/45/359408445.db2.gz GGPNSOABVZOHLS-ZJUUUORDSA-N 1 2 233.315 1.526 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611648992 359408449 /nfs/dbraw/zinc/40/84/49/359408449.db2.gz GGPNSOABVZOHLS-ZJUUUORDSA-N 1 2 233.315 1.526 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCSC1 ZINC000162661985 359511944 /nfs/dbraw/zinc/51/19/44/359511944.db2.gz PEXPXWLDSVELOK-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCSC1 ZINC000162661985 359511946 /nfs/dbraw/zinc/51/19/46/359511946.db2.gz PEXPXWLDSVELOK-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000574992628 359531285 /nfs/dbraw/zinc/53/12/85/359531285.db2.gz RSHTVJMEWYFOJT-VHSXEESVSA-N 1 2 229.320 1.079 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC2(CCC2)C[C@H]1C ZINC000580465447 359570345 /nfs/dbraw/zinc/57/03/45/359570345.db2.gz JIMGDEISUJNSBZ-SECBINFHSA-N 1 2 248.330 1.836 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC2(CCC2)C[C@H]1C ZINC000580465447 359570348 /nfs/dbraw/zinc/57/03/48/359570348.db2.gz JIMGDEISUJNSBZ-SECBINFHSA-N 1 2 248.330 1.836 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000628497812 359702029 /nfs/dbraw/zinc/70/20/29/359702029.db2.gz XPEFZEVHARIOSP-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000628497812 359702032 /nfs/dbraw/zinc/70/20/32/359702032.db2.gz XPEFZEVHARIOSP-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)/C=C/c1ccnn1C ZINC000107286761 359737693 /nfs/dbraw/zinc/73/76/93/359737693.db2.gz SNGUIUAXFOGNFP-ONEGZZNKSA-N 1 2 242.282 1.775 20 0 BDADLO CCC1(CNc2cc[nH+]c3ccncc23)COC1 ZINC000450848356 202287163 /nfs/dbraw/zinc/28/71/63/202287163.db2.gz TZDZACPMTHCUOU-UHFFFAOYSA-N 1 2 243.310 1.890 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)[C@@H](O)CC ZINC000450853549 202289253 /nfs/dbraw/zinc/28/92/53/202289253.db2.gz BJCXZSYMPHICHC-MNOVXSKESA-N 1 2 237.347 1.983 20 0 BDADLO Cc1nc(N2CCC[C@@]3(CCOC3)C2)cc[nH+]1 ZINC000450887500 202296825 /nfs/dbraw/zinc/29/68/25/202296825.db2.gz ZFQYQBPWEZSMDU-CYBMUJFWSA-N 1 2 233.315 1.792 20 0 BDADLO CC(C)c1nc(NC[C@H](O)C2CCC2)cc[nH+]1 ZINC000450920389 202310201 /nfs/dbraw/zinc/31/02/01/202310201.db2.gz WRDYZMZRMBPZGW-NSHDSACASA-N 1 2 235.331 1.595 20 0 BDADLO CC(C)c1nc(N[C@@H]2CC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000450925032 202311243 /nfs/dbraw/zinc/31/12/43/202311243.db2.gz PIHPZOUZNDUIBN-VHSXEESVSA-N 1 2 248.330 1.088 20 0 BDADLO CC[C@@H](NC(=O)[C@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000450927482 202312108 /nfs/dbraw/zinc/31/21/08/202312108.db2.gz CFADZXKHOCLHLQ-NXEZZACHSA-N 1 2 237.303 1.138 20 0 BDADLO CCc1cc(N)nc(SCn2cccn2)[nH+]1 ZINC000450937417 202314473 /nfs/dbraw/zinc/31/44/73/202314473.db2.gz WXCKVRYTOQPHSN-UHFFFAOYSA-N 1 2 235.316 1.398 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000578360623 366538331 /nfs/dbraw/zinc/53/83/31/366538331.db2.gz UPPHTCYBPSRHLF-HBNTYKKESA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nc(N2CC(C)(C)[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000450947406 202317033 /nfs/dbraw/zinc/31/70/33/202317033.db2.gz BPXKXVGHSBCESQ-MNOVXSKESA-N 1 2 233.315 1.646 20 0 BDADLO Cc1cc(N2CC(C)(C)[C@@H]3COC[C@@H]32)nc[nH+]1 ZINC000450947524 202317762 /nfs/dbraw/zinc/31/77/62/202317762.db2.gz CDIRGNQGJHXPKN-MNOVXSKESA-N 1 2 233.315 1.646 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@H+]2CCCCF)[nH]1 ZINC000450990649 202329309 /nfs/dbraw/zinc/32/93/09/202329309.db2.gz IGIASWJACBVFNC-VIFPVBQESA-N 1 2 242.298 1.787 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@@H+]2CCCCF)[nH]1 ZINC000450990649 202329311 /nfs/dbraw/zinc/32/93/11/202329311.db2.gz IGIASWJACBVFNC-VIFPVBQESA-N 1 2 242.298 1.787 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000451075117 202350137 /nfs/dbraw/zinc/35/01/37/202350137.db2.gz ZXTNYRNYEWERNJ-YUMQZZPRSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1csc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000451075117 202350139 /nfs/dbraw/zinc/35/01/39/202350139.db2.gz ZXTNYRNYEWERNJ-YUMQZZPRSA-N 1 2 240.328 1.770 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000451161110 202367416 /nfs/dbraw/zinc/36/74/16/202367416.db2.gz XCLLIGWXRIOUQV-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000451161110 202367418 /nfs/dbraw/zinc/36/74/18/202367418.db2.gz XCLLIGWXRIOUQV-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451191351 202369217 /nfs/dbraw/zinc/36/92/17/202369217.db2.gz RDMYHBLRUAVEMU-IVZWLZJFSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451191351 202369220 /nfs/dbraw/zinc/36/92/20/202369220.db2.gz RDMYHBLRUAVEMU-IVZWLZJFSA-N 1 2 216.300 1.333 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613915624 363684396 /nfs/dbraw/zinc/68/43/96/363684396.db2.gz LJZCJHLCFNFMEY-SNVBAGLBSA-N 1 2 233.315 1.597 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613915624 363684400 /nfs/dbraw/zinc/68/44/00/363684400.db2.gz LJZCJHLCFNFMEY-SNVBAGLBSA-N 1 2 233.315 1.597 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451180319 202371419 /nfs/dbraw/zinc/37/14/19/202371419.db2.gz CQBBSDIHBCGELL-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451180319 202371422 /nfs/dbraw/zinc/37/14/22/202371422.db2.gz CQBBSDIHBCGELL-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO O=[S@](CC[N@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000451190447 202374009 /nfs/dbraw/zinc/37/40/09/202374009.db2.gz QPIATRBBNIWUPG-MEDUHNTESA-N 1 2 241.331 1.838 20 0 BDADLO O=[S@](CC[N@@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000451190447 202374013 /nfs/dbraw/zinc/37/40/13/202374013.db2.gz QPIATRBBNIWUPG-MEDUHNTESA-N 1 2 241.331 1.838 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451195561 202375370 /nfs/dbraw/zinc/37/53/70/202375370.db2.gz XXWQVFYLROHMOM-WOPDTQHZSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451195561 202375372 /nfs/dbraw/zinc/37/53/72/202375372.db2.gz XXWQVFYLROHMOM-WOPDTQHZSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451195514 202376235 /nfs/dbraw/zinc/37/62/35/202376235.db2.gz XRYDKNJMOOHFCF-UTUOFQBUSA-N 1 2 242.338 1.820 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451195514 202376238 /nfs/dbraw/zinc/37/62/38/202376238.db2.gz XRYDKNJMOOHFCF-UTUOFQBUSA-N 1 2 242.338 1.820 20 0 BDADLO CC[N@H+](Cc1c(C)noc1C)C1COC1 ZINC000451283428 202394633 /nfs/dbraw/zinc/39/46/33/202394633.db2.gz HSOPDNKFWIVPLT-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO CC[N@@H+](Cc1c(C)noc1C)C1COC1 ZINC000451283428 202394636 /nfs/dbraw/zinc/39/46/36/202394636.db2.gz HSOPDNKFWIVPLT-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO CC[N@H+](CC(=O)N1CCCC[C@H]1C)C1COC1 ZINC000451288923 202397821 /nfs/dbraw/zinc/39/78/21/202397821.db2.gz USUAINIEWSCPNY-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@@H+](CC(=O)N1CCCC[C@H]1C)C1COC1 ZINC000451288923 202397824 /nfs/dbraw/zinc/39/78/24/202397824.db2.gz USUAINIEWSCPNY-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1ccncc1 ZINC000088589305 359968022 /nfs/dbraw/zinc/96/80/22/359968022.db2.gz HDGWKVJHYISSCA-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO CCCC[N@H+](CCO)Cc1ncnn1CCC ZINC000088619544 359970315 /nfs/dbraw/zinc/97/03/15/359970315.db2.gz LWMRQVNSCXHDTE-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO CCCC[N@@H+](CCO)Cc1ncnn1CCC ZINC000088619544 359970319 /nfs/dbraw/zinc/97/03/19/359970319.db2.gz LWMRQVNSCXHDTE-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088753585 359974943 /nfs/dbraw/zinc/97/49/43/359974943.db2.gz IHKKQGIXIHDZRR-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088753585 359974946 /nfs/dbraw/zinc/97/49/46/359974946.db2.gz IHKKQGIXIHDZRR-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(C)c1 ZINC000088759137 359975064 /nfs/dbraw/zinc/97/50/64/359975064.db2.gz KADHPYODRNAMLP-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(C)c1 ZINC000088759137 359975069 /nfs/dbraw/zinc/97/50/69/359975069.db2.gz KADHPYODRNAMLP-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1noc(C)c1CCC(=O)NCc1c[nH+]c[nH]1 ZINC000088753433 359975394 /nfs/dbraw/zinc/97/53/94/359975394.db2.gz DRFJWHADJRYVCT-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO Cc1noc(C)c1CCC(=O)NCc1c[nH]c[nH+]1 ZINC000088753433 359975398 /nfs/dbraw/zinc/97/53/98/359975398.db2.gz DRFJWHADJRYVCT-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2ccccc2[nH]1 ZINC000088752390 359975495 /nfs/dbraw/zinc/97/54/95/359975495.db2.gz GOXOXFWEZJYWSJ-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2ccccc2[nH]1 ZINC000088752390 359975497 /nfs/dbraw/zinc/97/54/97/359975497.db2.gz GOXOXFWEZJYWSJ-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO CN(C)c1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088759135 359975704 /nfs/dbraw/zinc/97/57/04/359975704.db2.gz UBUDXRIZLFBMTE-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO CN(C)c1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088759135 359975706 /nfs/dbraw/zinc/97/57/06/359975706.db2.gz UBUDXRIZLFBMTE-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO O=C(COc1ccc(F)cc1)NCc1c[nH+]c[nH]1 ZINC000088759124 359975715 /nfs/dbraw/zinc/97/57/15/359975715.db2.gz DYNJEWLHKVKXEL-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO O=C(COc1ccc(F)cc1)NCc1c[nH]c[nH+]1 ZINC000088759124 359975717 /nfs/dbraw/zinc/97/57/17/359975717.db2.gz DYNJEWLHKVKXEL-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO Cc1noc(C(C)C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000088759291 359977481 /nfs/dbraw/zinc/97/74/81/359977481.db2.gz AVLKYOICPUOCHK-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1noc(C(C)C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000088759291 359977485 /nfs/dbraw/zinc/97/74/85/359977485.db2.gz AVLKYOICPUOCHK-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(F)c(F)c1 ZINC000088759390 359977576 /nfs/dbraw/zinc/97/75/76/359977576.db2.gz QOZIDVVQRJKNPA-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(F)c(F)c1 ZINC000088759390 359977577 /nfs/dbraw/zinc/97/75/77/359977577.db2.gz QOZIDVVQRJKNPA-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[NH+]1Cc2ccccc2C1 ZINC000088796355 359979489 /nfs/dbraw/zinc/97/94/89/359979489.db2.gz VYOJOUGVGCTHTF-ZDUSSCGKSA-N 1 2 231.295 1.954 20 0 BDADLO C[C@@H](CC(=O)N1C[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC000628520643 360009747 /nfs/dbraw/zinc/00/97/47/360009747.db2.gz UBCABWADUVKXER-GARJFASQSA-N 1 2 219.288 1.313 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc(NC(N)=O)c1 ZINC000090166311 360060459 /nfs/dbraw/zinc/06/04/59/360060459.db2.gz VTPXAYRJFGDOCB-UHFFFAOYSA-N 1 2 245.286 1.523 20 0 BDADLO C[C@@](O)(CO)CNc1ccc2ccccc2[nH+]1 ZINC000090287888 360070185 /nfs/dbraw/zinc/07/01/85/360070185.db2.gz QUXOLXPORNYOAM-ZDUSSCGKSA-N 1 2 232.283 1.390 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000091964333 360138960 /nfs/dbraw/zinc/13/89/60/360138960.db2.gz PJJBRDKJQBUDSE-LBPRGKRZSA-N 1 2 223.320 1.657 20 0 BDADLO COc1cc[nH+]cc1NCc1cc(C)no1 ZINC000631097423 360108500 /nfs/dbraw/zinc/10/85/00/360108500.db2.gz AKSAZMRHCPXQBK-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CCCCC[N@H+](Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000092617385 360184527 /nfs/dbraw/zinc/18/45/27/360184527.db2.gz RQZZKKYHJGNVBP-UHFFFAOYSA-N 1 2 226.324 1.499 20 0 BDADLO CCCCC[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000092617385 360184533 /nfs/dbraw/zinc/18/45/33/360184533.db2.gz RQZZKKYHJGNVBP-UHFFFAOYSA-N 1 2 226.324 1.499 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000613000817 360258578 /nfs/dbraw/zinc/25/85/78/360258578.db2.gz DCXLAJIJICXVJK-MWLCHTKSSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000613000817 360258574 /nfs/dbraw/zinc/25/85/74/360258574.db2.gz DCXLAJIJICXVJK-MWLCHTKSSA-N 1 2 247.342 1.819 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000094424140 360306654 /nfs/dbraw/zinc/30/66/54/360306654.db2.gz MRSVOPUCXXHUHY-UWVGGRQHSA-N 1 2 243.347 1.874 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094424137 360307515 /nfs/dbraw/zinc/30/75/15/360307515.db2.gz MRSVOPUCXXHUHY-NXEZZACHSA-N 1 2 243.347 1.874 20 0 BDADLO O[C@H]1C[C@H]2C[C@@H](C1)N(c1[nH]c3ccccc3[nH+]1)C2 ZINC000631519120 360347895 /nfs/dbraw/zinc/34/78/95/360347895.db2.gz AAGQYMMAEDEZJX-VWYCJHECSA-N 1 2 243.310 1.913 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096785740 360354148 /nfs/dbraw/zinc/35/41/48/360354148.db2.gz BTSYLOQTZCJWLR-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1cccc(C)n1 ZINC000094919901 360327226 /nfs/dbraw/zinc/32/72/26/360327226.db2.gz WJJIFZHJEOJWDF-ZDUSSCGKSA-N 1 2 248.326 1.773 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1cccc(C)n1 ZINC000094919901 360327230 /nfs/dbraw/zinc/32/72/30/360327230.db2.gz WJJIFZHJEOJWDF-ZDUSSCGKSA-N 1 2 248.326 1.773 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096785846 360355611 /nfs/dbraw/zinc/35/56/11/360355611.db2.gz JQHIDMJMAMFQJG-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096785906 360355649 /nfs/dbraw/zinc/35/56/49/360355649.db2.gz YPYWTJPPEWKECY-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CC=CC1 ZINC000623477282 360430802 /nfs/dbraw/zinc/43/08/02/360430802.db2.gz DXUVAOWDQWWECT-LLVKDONJSA-N 1 2 248.330 1.537 20 0 BDADLO C/C=C\CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000623477825 360432402 /nfs/dbraw/zinc/43/24/02/360432402.db2.gz TXVLBLWZCPJJJS-UMBAGQNISA-N 1 2 222.292 1.147 20 0 BDADLO C[C@@H](NC(=O)C12CC(C1)C2)c1[nH]cc[nH+]1 ZINC000627466060 360454989 /nfs/dbraw/zinc/45/49/89/360454989.db2.gz WLZMXZLZIAMLOF-OBEAGUGNSA-N 1 2 205.261 1.387 20 0 BDADLO NC(=O)c1cccc(C[N@H+](C2CC2)C2COC2)c1 ZINC000296131807 181303408 /nfs/dbraw/zinc/30/34/08/181303408.db2.gz UONXDOZNRFAOJJ-UHFFFAOYSA-N 1 2 246.310 1.149 20 0 BDADLO NC(=O)c1cccc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000296131807 181303410 /nfs/dbraw/zinc/30/34/10/181303410.db2.gz UONXDOZNRFAOJJ-UHFFFAOYSA-N 1 2 246.310 1.149 20 0 BDADLO COc1ccc(C)cc1C[NH+]1CCN(C)CC1 ZINC000061744820 360659746 /nfs/dbraw/zinc/65/97/46/360659746.db2.gz ZWMQVGARKDNIAE-UHFFFAOYSA-N 1 2 234.343 1.751 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(C1CC1)C1CC1 ZINC000628813422 360664508 /nfs/dbraw/zinc/66/45/08/360664508.db2.gz RGQUKLDZEJOPIS-VXGBXAGGSA-N 1 2 245.326 1.677 20 0 BDADLO CCC(CC)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916726 360747717 /nfs/dbraw/zinc/74/77/17/360747717.db2.gz FOYSEPXMECVHKE-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916726 360747725 /nfs/dbraw/zinc/74/77/25/360747725.db2.gz FOYSEPXMECVHKE-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920785 360754216 /nfs/dbraw/zinc/75/42/16/360754216.db2.gz HKBKBCLIARNWDV-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920785 360754220 /nfs/dbraw/zinc/75/42/20/360754220.db2.gz HKBKBCLIARNWDV-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC(=O)C1CCCC1 ZINC000628992802 360786714 /nfs/dbraw/zinc/78/67/14/360786714.db2.gz UAGWSYXLMJZOFQ-UHFFFAOYSA-N 1 2 249.314 1.218 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC(=O)C1CCCC1 ZINC000628992802 360786718 /nfs/dbraw/zinc/78/67/18/360786718.db2.gz UAGWSYXLMJZOFQ-UHFFFAOYSA-N 1 2 249.314 1.218 20 0 BDADLO CN(C)c1ccc(CSc2nc[nH]n2)c[nH+]1 ZINC000629090531 360874008 /nfs/dbraw/zinc/87/40/08/360874008.db2.gz YDHNBGRTTHQPRB-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629146330 360903119 /nfs/dbraw/zinc/90/31/19/360903119.db2.gz SXDFLGWFZTYJMA-RYUDHWBXSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629146330 360903125 /nfs/dbraw/zinc/90/31/25/360903125.db2.gz SXDFLGWFZTYJMA-RYUDHWBXSA-N 1 2 249.314 1.026 20 0 BDADLO CCc1cc(NC[C@H](CO)C(C)C)nc[nH+]1 ZINC000309655698 491153733 /nfs/dbraw/zinc/15/37/33/491153733.db2.gz PPFAWBUVXQEXBO-SNVBAGLBSA-N 1 2 223.320 1.715 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ccncc1F ZINC000631208830 361064860 /nfs/dbraw/zinc/06/48/60/361064860.db2.gz LHTSZELHMUSAKL-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000631208939 361070073 /nfs/dbraw/zinc/07/00/73/361070073.db2.gz OFJITWZUORMTSB-UHFFFAOYSA-N 1 2 246.314 1.806 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccnc1 ZINC000169798419 361132454 /nfs/dbraw/zinc/13/24/54/361132454.db2.gz XXUOJFNXQHXPHE-NSHDSACASA-N 1 2 242.282 1.023 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC(C)C)[nH+]1 ZINC000309692979 491154588 /nfs/dbraw/zinc/15/45/88/491154588.db2.gz QJCJQOYIPBLRAJ-UHFFFAOYSA-N 1 2 223.324 1.704 20 0 BDADLO Cc1nc(NCCC(C)C)nc(N(C)C)[nH+]1 ZINC000309692979 491154589 /nfs/dbraw/zinc/15/45/89/491154589.db2.gz QJCJQOYIPBLRAJ-UHFFFAOYSA-N 1 2 223.324 1.704 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000041051827 361206835 /nfs/dbraw/zinc/20/68/35/361206835.db2.gz AYVBBEUCRYPYBG-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000640480439 361262720 /nfs/dbraw/zinc/26/27/20/361262720.db2.gz KFBBBQUHQNYRFF-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000640481879 361267424 /nfs/dbraw/zinc/26/74/24/361267424.db2.gz ZWHCEOKZNKNHEH-MRVPVSSYSA-N 1 2 246.270 1.450 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000640481879 361267428 /nfs/dbraw/zinc/26/74/28/361267428.db2.gz ZWHCEOKZNKNHEH-MRVPVSSYSA-N 1 2 246.270 1.450 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332980926 361268796 /nfs/dbraw/zinc/26/87/96/361268796.db2.gz SHBQWZMMFPLAKY-UWVGGRQHSA-N 1 2 248.330 1.461 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332980926 361268800 /nfs/dbraw/zinc/26/88/00/361268800.db2.gz SHBQWZMMFPLAKY-UWVGGRQHSA-N 1 2 248.330 1.461 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000066560531 361303185 /nfs/dbraw/zinc/30/31/85/361303185.db2.gz JBRABNQUUSERFP-MRVPVSSYSA-N 1 2 244.747 1.851 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000066560531 361303192 /nfs/dbraw/zinc/30/31/92/361303192.db2.gz JBRABNQUUSERFP-MRVPVSSYSA-N 1 2 244.747 1.851 20 0 BDADLO CC(C)c1nc(CN2CC[N@H+](C)C[C@H]2C)n[nH]1 ZINC000428201728 201002345 /nfs/dbraw/zinc/00/23/45/201002345.db2.gz BXHDBIHRPLQLRJ-SNVBAGLBSA-N 1 2 237.351 1.064 20 0 BDADLO CC(C)c1nc(CN2CC[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000428201728 201002348 /nfs/dbraw/zinc/00/23/48/201002348.db2.gz BXHDBIHRPLQLRJ-SNVBAGLBSA-N 1 2 237.351 1.064 20 0 BDADLO COCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579023618 366698098 /nfs/dbraw/zinc/69/80/98/366698098.db2.gz VCFSYUXZTVTYFE-NXEZZACHSA-N 1 2 239.319 1.130 20 0 BDADLO COCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579023618 366698102 /nfs/dbraw/zinc/69/81/02/366698102.db2.gz VCFSYUXZTVTYFE-NXEZZACHSA-N 1 2 239.319 1.130 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579241142 366743718 /nfs/dbraw/zinc/74/37/18/366743718.db2.gz DGALCQFVDLASSN-ADEWGFFLSA-N 1 2 235.331 1.749 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579241142 366743724 /nfs/dbraw/zinc/74/37/24/366743724.db2.gz DGALCQFVDLASSN-ADEWGFFLSA-N 1 2 235.331 1.749 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccccc2O)[nH]1 ZINC000428342402 201010033 /nfs/dbraw/zinc/01/00/33/201010033.db2.gz ASAQQVQBIKZZMC-UHFFFAOYSA-N 1 2 246.314 1.493 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccccc2O)[nH]1 ZINC000428342402 201010036 /nfs/dbraw/zinc/01/00/36/201010036.db2.gz ASAQQVQBIKZZMC-UHFFFAOYSA-N 1 2 246.314 1.493 20 0 BDADLO CCCc1nc(C)c(C[N@H+](C)CC(=O)NC)o1 ZINC000428447250 201018231 /nfs/dbraw/zinc/01/82/31/201018231.db2.gz NWDNGPUMVZOVQA-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO CCCc1nc(C)c(C[N@@H+](C)CC(=O)NC)o1 ZINC000428447250 201018232 /nfs/dbraw/zinc/01/82/32/201018232.db2.gz NWDNGPUMVZOVQA-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H](F)C1 ZINC000579245736 366744775 /nfs/dbraw/zinc/74/47/75/366744775.db2.gz PMGODKOOGLLCMI-QWRGUYRKSA-N 1 2 239.294 1.670 20 0 BDADLO Cc1cnc([C@@H](C)[NH+]2CCOCC2)cn1 ZINC000428471653 201022998 /nfs/dbraw/zinc/02/29/98/201022998.db2.gz BPVNGGJNBREFBO-SNVBAGLBSA-N 1 2 207.277 1.178 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H](O)C1CC1 ZINC000614275107 363767144 /nfs/dbraw/zinc/76/71/44/363767144.db2.gz FYJONEIVYRFTIQ-NSHDSACASA-N 1 2 231.255 1.044 20 0 BDADLO CC1(O)CC(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000614277165 363769105 /nfs/dbraw/zinc/76/91/05/363769105.db2.gz SNKCRGOYYVHGCS-UHFFFAOYSA-N 1 2 245.282 1.434 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCC[C@H]2O)[nH]1 ZINC000428993942 201057395 /nfs/dbraw/zinc/05/73/95/201057395.db2.gz OKRWBYPODIWDCV-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)[nH]1 ZINC000428993942 201057399 /nfs/dbraw/zinc/05/73/99/201057399.db2.gz OKRWBYPODIWDCV-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nnc(C)s1 ZINC000429259234 201087243 /nfs/dbraw/zinc/08/72/43/201087243.db2.gz SQTPDNLMPZPHJQ-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nnc(C)s1 ZINC000429259234 201087246 /nfs/dbraw/zinc/08/72/46/201087246.db2.gz SQTPDNLMPZPHJQ-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO CCc1noc(C[N@H+](CC)C[C@H]2CCCO2)n1 ZINC000065353093 361394689 /nfs/dbraw/zinc/39/46/89/361394689.db2.gz OHAKUUWFSZSNLN-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@@H+](CC)C[C@H]2CCCO2)n1 ZINC000065353093 361394693 /nfs/dbraw/zinc/39/46/93/361394693.db2.gz OHAKUUWFSZSNLN-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@H](CCO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631124326 361392897 /nfs/dbraw/zinc/39/28/97/361392897.db2.gz JQJNQZVDBBAJEN-MRVPVSSYSA-N 1 2 246.314 1.440 20 0 BDADLO CCOC[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000429525686 201111427 /nfs/dbraw/zinc/11/14/27/201111427.db2.gz ARIXOFKCLBDKGI-JTQLQIEISA-N 1 2 237.303 1.358 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CCC[C@@H](C)O ZINC000429290834 201096958 /nfs/dbraw/zinc/09/69/58/201096958.db2.gz ZUXWVYWWYLYAFG-LLVKDONJSA-N 1 2 240.351 1.452 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CCC[C@@H](C)O ZINC000429290834 201096962 /nfs/dbraw/zinc/09/69/62/201096962.db2.gz ZUXWVYWWYLYAFG-LLVKDONJSA-N 1 2 240.351 1.452 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CC2(O)CCCC2)no1 ZINC000429681346 201127234 /nfs/dbraw/zinc/12/72/34/201127234.db2.gz KFTSWBDCANPPMN-SECBINFHSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CC2(O)CCCC2)no1 ZINC000429681346 201127236 /nfs/dbraw/zinc/12/72/36/201127236.db2.gz KFTSWBDCANPPMN-SECBINFHSA-N 1 2 239.319 1.676 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000181368424 366805587 /nfs/dbraw/zinc/80/55/87/366805587.db2.gz BMHMJHYAXWVJEP-JTQLQIEISA-N 1 2 228.299 1.910 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc2sccc2[nH]1 ZINC000429985838 201136723 /nfs/dbraw/zinc/13/67/23/201136723.db2.gz MKLCGBQTEQWDLW-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000430141137 201147648 /nfs/dbraw/zinc/14/76/48/201147648.db2.gz QGXBKNIXLSZCEI-WPRPVWTQSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000430141137 201147649 /nfs/dbraw/zinc/14/76/49/201147649.db2.gz QGXBKNIXLSZCEI-WPRPVWTQSA-N 1 2 245.273 1.623 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+]C2CSC2)no1 ZINC000309960423 491158388 /nfs/dbraw/zinc/15/83/88/491158388.db2.gz KUGBHSUQHQJRJP-ZETCQYMHSA-N 1 2 243.332 1.372 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H](O)C(C)C ZINC000433180414 201164612 /nfs/dbraw/zinc/16/46/12/201164612.db2.gz JHBUJQKPCCVXRB-NSHDSACASA-N 1 2 245.363 1.715 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC12CCCC2 ZINC000430244898 201156191 /nfs/dbraw/zinc/15/61/91/201156191.db2.gz QSGQDQTVBYVTEQ-LLVKDONJSA-N 1 2 233.315 1.722 20 0 BDADLO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000070267011 361498846 /nfs/dbraw/zinc/49/88/46/361498846.db2.gz PVUNMIPMAUNXPW-YUMQZZPRSA-N 1 2 236.237 1.292 20 0 BDADLO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000070267011 361498851 /nfs/dbraw/zinc/49/88/51/361498851.db2.gz PVUNMIPMAUNXPW-YUMQZZPRSA-N 1 2 236.237 1.292 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000309938673 491158571 /nfs/dbraw/zinc/15/85/71/491158571.db2.gz AYCWIFYRRLYDJA-TZNOJPMFSA-N 1 2 221.304 1.778 20 0 BDADLO CCC1(C(=O)NCc2[nH+]ccn2C)CCC1 ZINC000433958815 201200426 /nfs/dbraw/zinc/20/04/26/201200426.db2.gz IUZJWGCQLCAFQT-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CCC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000434067535 201204870 /nfs/dbraw/zinc/20/48/70/201204870.db2.gz WLUAPPCYRXMLNY-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CO[C@@H]1CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000433780713 201192857 /nfs/dbraw/zinc/19/28/57/201192857.db2.gz CTYRYSQWQXOBQO-SECBINFHSA-N 1 2 232.287 1.491 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433799031 201193059 /nfs/dbraw/zinc/19/30/59/201193059.db2.gz NNBDBNPJXYIYNB-GZMMTYOYSA-N 1 2 248.330 1.507 20 0 BDADLO CO[C@H](CNc1[nH+]c(C)nc2[nH]ccc21)C(C)C ZINC000433777732 201193095 /nfs/dbraw/zinc/19/30/95/201193095.db2.gz PBOZRHMBSKZGQD-LLVKDONJSA-N 1 2 248.330 1.771 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCCCO2)[nH+]1 ZINC000433789645 201194440 /nfs/dbraw/zinc/19/44/40/201194440.db2.gz ORQXTOHHXYEMIH-JTQLQIEISA-N 1 2 246.314 1.669 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000434493192 201223334 /nfs/dbraw/zinc/22/33/34/201223334.db2.gz SDVMOUSRJCZKHP-SECBINFHSA-N 1 2 234.307 1.433 20 0 BDADLO COCCCNc1ccc(-c2cnn(C)c2)c[nH+]1 ZINC000629691554 361618524 /nfs/dbraw/zinc/61/85/24/361618524.db2.gz XSZVAPCCIPSYDK-UHFFFAOYSA-N 1 2 246.314 1.352 20 0 BDADLO C[N@H+](Cc1nnnn1C1CC1)C1CC(C)(C)C1 ZINC000448554639 201257848 /nfs/dbraw/zinc/25/78/48/201257848.db2.gz IIPSWBIPRMYFJA-UHFFFAOYSA-N 1 2 235.335 1.628 20 0 BDADLO C[N@@H+](Cc1nnnn1C1CC1)C1CC(C)(C)C1 ZINC000448554639 201257851 /nfs/dbraw/zinc/25/78/51/201257851.db2.gz IIPSWBIPRMYFJA-UHFFFAOYSA-N 1 2 235.335 1.628 20 0 BDADLO CCNc1ccc(-c2cn(C)nc2C)c[nH+]1 ZINC000629721602 361664610 /nfs/dbraw/zinc/66/46/10/361664610.db2.gz BYPUWXAMPAHDAL-UHFFFAOYSA-N 1 2 216.288 1.644 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000435696354 201284194 /nfs/dbraw/zinc/28/41/94/201284194.db2.gz IZEXNBJRSGHJLL-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO CC[C@H](NC(=O)c1[nH]ccc1C)c1[nH]cc[nH+]1 ZINC000436098316 201309615 /nfs/dbraw/zinc/30/96/15/201309615.db2.gz DUMCWWOZBIBZLJ-VIFPVBQESA-N 1 2 232.287 1.927 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cc2nnc3n2CCOC3)C1 ZINC000436118593 201310184 /nfs/dbraw/zinc/31/01/84/201310184.db2.gz PLBJGPPAAPFOFG-SNVBAGLBSA-N 1 2 248.330 1.206 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC000436118593 201310188 /nfs/dbraw/zinc/31/01/88/201310188.db2.gz PLBJGPPAAPFOFG-SNVBAGLBSA-N 1 2 248.330 1.206 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1CCC1 ZINC000067744484 370698130 /nfs/dbraw/zinc/69/81/30/370698130.db2.gz VQAPETGGXSYCTN-UHFFFAOYSA-N 1 2 244.338 1.919 20 0 BDADLO CC[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000618952881 363913953 /nfs/dbraw/zinc/91/39/53/363913953.db2.gz BEVCNPNEBAPMPR-DGCLKSJQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000618952881 363913958 /nfs/dbraw/zinc/91/39/58/363913958.db2.gz BEVCNPNEBAPMPR-DGCLKSJQSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000614697517 363931159 /nfs/dbraw/zinc/93/11/59/363931159.db2.gz PYGPZDWUGJSTHN-KKOKHZNYSA-N 1 2 245.326 1.535 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328887943 541327920 /nfs/dbraw/zinc/32/79/20/541327920.db2.gz PUHWJCNUQQJQQA-SECBINFHSA-N 1 2 245.286 1.153 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cn[nH]c1 ZINC000622083159 370700067 /nfs/dbraw/zinc/70/00/67/370700067.db2.gz YYRDKFLFXKMQQR-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CC12CC2 ZINC000622084136 370701174 /nfs/dbraw/zinc/70/11/74/370701174.db2.gz SFTZSVTZCPGLFB-VHSXEESVSA-N 1 2 233.315 1.880 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068255970 370766237 /nfs/dbraw/zinc/76/62/37/370766237.db2.gz APVPLSFSYPEBIZ-BXUZGUMPSA-N 1 2 244.338 1.774 20 0 BDADLO CC[C@](C)(NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000618959794 364273475 /nfs/dbraw/zinc/27/34/75/364273475.db2.gz FPJOIMBDXXHGJG-ZDUSSCGKSA-N 1 2 235.331 1.956 20 0 BDADLO CC[C@](C)(NC(=O)Cc1[nH+]c[nH]c1C)C1CC1 ZINC000618959794 364273482 /nfs/dbraw/zinc/27/34/82/364273482.db2.gz FPJOIMBDXXHGJG-ZDUSSCGKSA-N 1 2 235.331 1.956 20 0 BDADLO CCc1cc(NCc2nc[nH]n2)nc(C)[nH+]1 ZINC000084082022 541358338 /nfs/dbraw/zinc/35/83/38/541358338.db2.gz IPOIEFFYEIPXQU-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO CCc1cc(NCc2nnc[nH]2)nc(C)[nH+]1 ZINC000084082022 541358340 /nfs/dbraw/zinc/35/83/40/541358340.db2.gz IPOIEFFYEIPXQU-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC[C@H](C)OC ZINC000579493316 366832007 /nfs/dbraw/zinc/83/20/07/366832007.db2.gz FEEHPHDONYFRAX-JTQLQIEISA-N 1 2 239.319 1.334 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000135126286 364429055 /nfs/dbraw/zinc/42/90/55/364429055.db2.gz ASJANSRHNGTXFB-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000615108352 364498023 /nfs/dbraw/zinc/49/80/23/364498023.db2.gz LOUXAQBKCZILQM-GHMZBOCLSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccncc1 ZINC000630734506 364523355 /nfs/dbraw/zinc/52/33/55/364523355.db2.gz DDUHQORJRQOLFL-LLVKDONJSA-N 1 2 244.298 1.198 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncnn2C(C)C)n(C)n1 ZINC000631131134 364590403 /nfs/dbraw/zinc/59/04/03/364590403.db2.gz JIRQKXZXXDIBSW-UHFFFAOYSA-N 1 2 248.334 1.191 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000615362366 364731636 /nfs/dbraw/zinc/73/16/36/364731636.db2.gz GNTZJQKSGQVRAX-BBBLOLIVSA-N 1 2 233.315 1.381 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000615362366 364731641 /nfs/dbraw/zinc/73/16/41/364731641.db2.gz GNTZJQKSGQVRAX-BBBLOLIVSA-N 1 2 233.315 1.381 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccsc2)[nH]1 ZINC000295590280 364780372 /nfs/dbraw/zinc/78/03/72/364780372.db2.gz BYNMCXPHYYIGNQ-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccc(C)o2)[nH]1 ZINC000296001070 364781958 /nfs/dbraw/zinc/78/19/58/364781958.db2.gz KWVGWMLKUNGBNK-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CNC(=O)CCSCCc1cccc(C)[nH+]1 ZINC000573496698 364848565 /nfs/dbraw/zinc/84/85/65/364848565.db2.gz SRZOILVXJUELGX-UHFFFAOYSA-N 1 2 238.356 1.802 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000573553378 364859157 /nfs/dbraw/zinc/85/91/57/364859157.db2.gz ZLDNKAGGUGMXPW-CYBMUJFWSA-N 1 2 247.342 1.610 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccco2)[nH+]1 ZINC000573379440 364817209 /nfs/dbraw/zinc/81/72/09/364817209.db2.gz HVAQLCDDEGLLCO-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccco1 ZINC000573383810 364820320 /nfs/dbraw/zinc/82/03/20/364820320.db2.gz HYZPWEUWGPFGBQ-SNVBAGLBSA-N 1 2 247.298 1.840 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccco1 ZINC000573383810 364820327 /nfs/dbraw/zinc/82/03/27/364820327.db2.gz HYZPWEUWGPFGBQ-SNVBAGLBSA-N 1 2 247.298 1.840 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)co1 ZINC000573609587 364874000 /nfs/dbraw/zinc/87/40/00/364874000.db2.gz BZAVEDWGSNMKHD-SNVBAGLBSA-N 1 2 245.286 1.151 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)co1 ZINC000573609587 364874003 /nfs/dbraw/zinc/87/40/03/364874003.db2.gz BZAVEDWGSNMKHD-SNVBAGLBSA-N 1 2 245.286 1.151 20 0 BDADLO CCC1(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000333549659 541403285 /nfs/dbraw/zinc/40/32/85/541403285.db2.gz FKHCYOWYSHCKET-SNVBAGLBSA-N 1 2 248.330 1.440 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)o1 ZINC000336014753 541424632 /nfs/dbraw/zinc/42/46/32/541424632.db2.gz GCRJBHVJCFQURU-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO c1nnc([C@@H]([NH2+]C2CCC2)c2cccnc2)[nH]1 ZINC000573985685 364962118 /nfs/dbraw/zinc/96/21/18/364962118.db2.gz COQNIEDTDCGOFF-NSHDSACASA-N 1 2 229.287 1.431 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccs1 ZINC000574218206 365013694 /nfs/dbraw/zinc/01/36/94/365013694.db2.gz UWOMFNIMPWDJFS-SECBINFHSA-N 1 2 249.339 1.966 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccs1 ZINC000574218206 365013697 /nfs/dbraw/zinc/01/36/97/365013697.db2.gz UWOMFNIMPWDJFS-SECBINFHSA-N 1 2 249.339 1.966 20 0 BDADLO Cc1cc(C)nc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000574472438 365071278 /nfs/dbraw/zinc/07/12/78/365071278.db2.gz GOBAUSSPNDHJIT-SNVBAGLBSA-N 1 2 245.330 1.460 20 0 BDADLO C[C@@H](CC(=O)NCCCF)n1cc[nH+]c1 ZINC000574457834 365066648 /nfs/dbraw/zinc/06/66/48/365066648.db2.gz RCRODTXGCDWIBO-VIFPVBQESA-N 1 2 213.256 1.310 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000574254923 365019971 /nfs/dbraw/zinc/01/99/71/365019971.db2.gz VBUGMHORCLBVKD-PEGIJTEDSA-N 1 2 231.299 1.732 20 0 BDADLO CCC[C@H](NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000574282811 365029752 /nfs/dbraw/zinc/02/97/52/365029752.db2.gz JYDFJPJPFWOFGP-LBPRGKRZSA-N 1 2 235.331 1.968 20 0 BDADLO CCC1(O)CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000574822635 365153976 /nfs/dbraw/zinc/15/39/76/365153976.db2.gz MRKVGACVBDOFGI-UHFFFAOYSA-N 1 2 235.331 1.835 20 0 BDADLO CCCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000574823731 365154609 /nfs/dbraw/zinc/15/46/09/365154609.db2.gz VYXDYQICQCZQNC-UHFFFAOYSA-N 1 2 209.293 1.530 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000575057374 365181325 /nfs/dbraw/zinc/18/13/25/365181325.db2.gz SUZDDEVMGBESKY-RNFRBKRXSA-N 1 2 248.735 1.300 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000574773371 365143299 /nfs/dbraw/zinc/14/32/99/365143299.db2.gz XUUKDRMQUUHUNH-PWSUYJOCSA-N 1 2 221.304 1.434 20 0 BDADLO OC1(CCSCCn2cc[nH+]c2)CC1 ZINC000443149915 193013567 /nfs/dbraw/zinc/01/35/67/193013567.db2.gz ZJHHUOUIHYKIBZ-UHFFFAOYSA-N 1 2 212.318 1.531 20 0 BDADLO Cc1nc2[nH]ccc2c(N(CCO)C2CC2)[nH+]1 ZINC000444082464 193034674 /nfs/dbraw/zinc/03/46/74/193034674.db2.gz GZXLPJALYXVYCJ-UHFFFAOYSA-N 1 2 232.287 1.227 20 0 BDADLO O=C(Nc1ccccn1)c1ccc2[nH+]ccn2c1 ZINC000068510529 370809596 /nfs/dbraw/zinc/80/95/96/370809596.db2.gz GYSMLOIUOYQLSO-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000622274588 370815380 /nfs/dbraw/zinc/81/53/80/370815380.db2.gz PRZJGJWRQYMUCU-SNVBAGLBSA-N 1 2 219.288 1.190 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000444472263 193048375 /nfs/dbraw/zinc/04/83/75/193048375.db2.gz BWELOGFVZIVAHE-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000444472262 193048431 /nfs/dbraw/zinc/04/84/31/193048431.db2.gz BWELOGFVZIVAHE-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO CN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000171990064 365266290 /nfs/dbraw/zinc/26/62/90/365266290.db2.gz SQUSRLBLBAMRBI-UHFFFAOYSA-N 1 2 220.263 1.052 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000575284119 365278531 /nfs/dbraw/zinc/27/85/31/365278531.db2.gz AJMGSBUVENVWAE-GDPRMGEGSA-N 1 2 236.319 1.285 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000575284119 365278532 /nfs/dbraw/zinc/27/85/32/365278532.db2.gz AJMGSBUVENVWAE-GDPRMGEGSA-N 1 2 236.319 1.285 20 0 BDADLO COc1cccc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000575762780 365358509 /nfs/dbraw/zinc/35/85/09/365358509.db2.gz GGFYIISZFPNNJT-UHFFFAOYSA-N 1 2 232.287 1.464 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@H+](CC2(F)CC2)CC1 ZINC000580536299 365338373 /nfs/dbraw/zinc/33/83/73/365338373.db2.gz JYLTVWHFKUSREL-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CC2(F)CC2)CC1 ZINC000580536299 365338376 /nfs/dbraw/zinc/33/83/76/365338376.db2.gz JYLTVWHFKUSREL-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)n2C)CCS1 ZINC000174367992 365484574 /nfs/dbraw/zinc/48/45/74/365484574.db2.gz QQLXPYZOMVYTOH-JTQLQIEISA-N 1 2 240.376 1.451 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)n2C)CCS1 ZINC000174367992 365484575 /nfs/dbraw/zinc/48/45/75/365484575.db2.gz QQLXPYZOMVYTOH-JTQLQIEISA-N 1 2 240.376 1.451 20 0 BDADLO Cc1occc1-c1noc(Cn2cc[nH+]c2)n1 ZINC000350468281 541473928 /nfs/dbraw/zinc/47/39/28/541473928.db2.gz VNOHYNWJMSKBFF-UHFFFAOYSA-N 1 2 230.227 1.883 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)CCc1c[nH+]c[nH]1 ZINC000354485208 541486675 /nfs/dbraw/zinc/48/66/75/541486675.db2.gz BQSSIHTYIPYLRE-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)CCc1c[nH]c[nH+]1 ZINC000354485208 541486679 /nfs/dbraw/zinc/48/66/79/541486679.db2.gz BQSSIHTYIPYLRE-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccoc1 ZINC000579731479 366996818 /nfs/dbraw/zinc/99/68/18/366996818.db2.gz ZYAUOZJTHLURLW-SNVBAGLBSA-N 1 2 247.298 1.840 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccoc1 ZINC000579731479 366996821 /nfs/dbraw/zinc/99/68/21/366996821.db2.gz ZYAUOZJTHLURLW-SNVBAGLBSA-N 1 2 247.298 1.840 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1csnn1 ZINC000579686242 366978907 /nfs/dbraw/zinc/97/89/07/366978907.db2.gz FYFHRGYXEWJBKC-SSDOTTSWSA-N 1 2 247.327 1.801 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccon1 ZINC000579855971 367054176 /nfs/dbraw/zinc/05/41/76/367054176.db2.gz IWBBWYXVYHBGOB-BDAKNGLRSA-N 1 2 248.286 1.454 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccon1 ZINC000579855971 367054182 /nfs/dbraw/zinc/05/41/82/367054182.db2.gz IWBBWYXVYHBGOB-BDAKNGLRSA-N 1 2 248.286 1.454 20 0 BDADLO Cc1ccc(CN2C(=O)[C@H](C)[C@H](C)C2=O)c(C)[nH+]1 ZINC000185375320 367129012 /nfs/dbraw/zinc/12/90/12/367129012.db2.gz IIWYLZOPBLEVND-AOOOYVTPSA-N 1 2 246.310 1.839 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCC(F)(F)F)o1 ZINC000380333532 367183512 /nfs/dbraw/zinc/18/35/12/367183512.db2.gz PDQXWVCOLVBPFY-YFKPBYRVSA-N 1 2 223.198 1.981 20 0 BDADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000581080762 367257553 /nfs/dbraw/zinc/25/75/53/367257553.db2.gz UNIXNLPVHSZWEH-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000581080762 367257558 /nfs/dbraw/zinc/25/75/58/367257558.db2.gz UNIXNLPVHSZWEH-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO Cn1cc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000195102780 367338469 /nfs/dbraw/zinc/33/84/69/367338469.db2.gz GEBBCKVRYUQHED-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000195102780 367338474 /nfs/dbraw/zinc/33/84/74/367338474.db2.gz GEBBCKVRYUQHED-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CCCC(=O)NCCCCn1cc[nH+]c1 ZINC000060408345 367306413 /nfs/dbraw/zinc/30/64/13/367306413.db2.gz WWYDFHSKTLBYNS-UHFFFAOYSA-N 1 2 209.293 1.580 20 0 BDADLO Cn1c[nH+]cc1CNc1ncccc1F ZINC000195311419 367355066 /nfs/dbraw/zinc/35/50/66/367355066.db2.gz MNIFQSCQPJPIQT-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ncnn1C)c1ccoc1 ZINC000381346055 367384295 /nfs/dbraw/zinc/38/42/95/367384295.db2.gz ZBULFWSAWJWXPF-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO CC(C)n1nccc1C[NH2+]Cc1cc[nH]n1 ZINC000381271788 367373756 /nfs/dbraw/zinc/37/37/56/367373756.db2.gz VUFPJZXRSCZLGB-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+]CC(C)(F)F ZINC000381982170 367475738 /nfs/dbraw/zinc/47/57/38/367475738.db2.gz FLTSCVFKTMGUPF-ZETCQYMHSA-N 1 2 229.292 1.054 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC)C(=O)OC ZINC000382201334 367497985 /nfs/dbraw/zinc/49/79/85/367497985.db2.gz JJIAMCXGYUTCII-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581497963 367526499 /nfs/dbraw/zinc/52/64/99/367526499.db2.gz LCVIVQAIRDLNLZ-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581497963 367526504 /nfs/dbraw/zinc/52/65/04/367526504.db2.gz LCVIVQAIRDLNLZ-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CCc1nsc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382443062 367525032 /nfs/dbraw/zinc/52/50/32/367525032.db2.gz HCYYPVYBDZXYGR-SFYZADRCSA-N 1 2 226.349 1.062 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581550463 367581786 /nfs/dbraw/zinc/58/17/86/367581786.db2.gz AJPYWHLWWACCNE-VXGBXAGGSA-N 1 2 249.358 1.854 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H]1C[C@H](C)O ZINC000383493582 367628962 /nfs/dbraw/zinc/62/89/62/367628962.db2.gz CTRZCLTYQFSGKB-WDEREUQCSA-N 1 2 236.315 1.830 20 0 BDADLO CC1(CNC(=O)[C@H]([NH3+])c2cscn2)CCC1 ZINC000581661666 367662597 /nfs/dbraw/zinc/66/25/97/367662597.db2.gz JNSYERNBFOKHBG-SECBINFHSA-N 1 2 239.344 1.449 20 0 BDADLO CC(C)OC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000384111882 367672410 /nfs/dbraw/zinc/67/24/10/367672410.db2.gz KXISJUKDGBOPHT-SECBINFHSA-N 1 2 239.319 1.791 20 0 BDADLO COCC(C)(C)CC(=O)NCc1[nH+]ccn1C ZINC000622353610 370862973 /nfs/dbraw/zinc/86/29/73/370862973.db2.gz VOPPNCOOHDVBMD-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2cscn2)c[nH+]1 ZINC000617827446 367765114 /nfs/dbraw/zinc/76/51/14/367765114.db2.gz VIVZUFXOMWYRNB-ZCFIWIBFSA-N 1 2 236.300 1.666 20 0 BDADLO COCC(C)(C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000622384459 370882067 /nfs/dbraw/zinc/88/20/67/370882067.db2.gz GSYXNZISAFUNLK-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO COCC(C)(C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000622384459 370882075 /nfs/dbraw/zinc/88/20/75/370882075.db2.gz GSYXNZISAFUNLK-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO Cc1cc(NC(=O)Cc2cncc(O)c2)cc[nH+]1 ZINC000622368444 370873282 /nfs/dbraw/zinc/87/32/82/370873282.db2.gz XFQHTHODBSYVGS-UHFFFAOYSA-N 1 2 243.266 1.094 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnns1 ZINC000581735465 367800077 /nfs/dbraw/zinc/80/00/77/367800077.db2.gz QSUOXVADRSQNRQ-LURJTMIESA-N 1 2 237.288 1.079 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnns1 ZINC000581735465 367800080 /nfs/dbraw/zinc/80/00/80/367800080.db2.gz QSUOXVADRSQNRQ-LURJTMIESA-N 1 2 237.288 1.079 20 0 BDADLO Cc1cc(CNc2cccnn2)cc(C)[nH+]1 ZINC000581877709 367864452 /nfs/dbraw/zinc/86/44/52/367864452.db2.gz XSNVCOUZFMASLA-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CCn1cc[nH+]c1CNc1ncnc2c1CCC2 ZINC000385406827 367826162 /nfs/dbraw/zinc/82/61/62/367826162.db2.gz XORUBCUSEBHKMV-UHFFFAOYSA-N 1 2 243.314 1.216 20 0 BDADLO CC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011675810 367926054 /nfs/dbraw/zinc/92/60/54/367926054.db2.gz PWTOAJKHLBYUQA-UHFFFAOYSA-N 1 2 222.273 1.044 20 0 BDADLO CC[C@H]1[C@H](CO)CCN1c1cc(C)[nH+]cn1 ZINC000385926202 367883970 /nfs/dbraw/zinc/88/39/70/367883970.db2.gz UGFXNWWMEIRXCX-QWRGUYRKSA-N 1 2 221.304 1.382 20 0 BDADLO C[C@H](NC(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000043783781 368405877 /nfs/dbraw/zinc/40/58/77/368405877.db2.gz MZDMNWIVMLUJFX-JTQLQIEISA-N 1 2 248.330 1.591 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1C=CCCC1 ZINC000454664965 202834713 /nfs/dbraw/zinc/83/47/13/202834713.db2.gz LJZLYMLMLQWAKI-NSHDSACASA-N 1 2 248.330 1.811 20 0 BDADLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCNC(=O)C1 ZINC000046037736 368435137 /nfs/dbraw/zinc/43/51/37/368435137.db2.gz XGJUNVHAVSLHIA-VXGBXAGGSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCNC(=O)C1 ZINC000046037736 368435139 /nfs/dbraw/zinc/43/51/39/368435139.db2.gz XGJUNVHAVSLHIA-VXGBXAGGSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047500229 368463274 /nfs/dbraw/zinc/46/32/74/368463274.db2.gz USDFRTHAMXWWLJ-MNOVXSKESA-N 1 2 248.330 1.449 20 0 BDADLO CCCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047609191 368465413 /nfs/dbraw/zinc/46/54/13/368465413.db2.gz IVRBQRBRTFVCLS-LBPRGKRZSA-N 1 2 247.342 1.824 20 0 BDADLO C[N@H+](CCC(F)(F)F)CC(=O)NC1CC1 ZINC000057621188 368498267 /nfs/dbraw/zinc/49/82/67/368498267.db2.gz APYUSSVSZGIURQ-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO C[N@@H+](CCC(F)(F)F)CC(=O)NC1CC1 ZINC000057621188 368498269 /nfs/dbraw/zinc/49/82/69/368498269.db2.gz APYUSSVSZGIURQ-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO CC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000060334979 368539789 /nfs/dbraw/zinc/53/97/89/368539789.db2.gz QEVIMQAGZQOVHV-UHFFFAOYSA-N 1 2 233.315 1.529 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000061759088 368568090 /nfs/dbraw/zinc/56/80/90/368568090.db2.gz FCBLIYZYNUZQDG-NSHDSACASA-N 1 2 238.718 1.790 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000061759088 368568097 /nfs/dbraw/zinc/56/80/97/368568097.db2.gz FCBLIYZYNUZQDG-NSHDSACASA-N 1 2 238.718 1.790 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1CCC1 ZINC000063707222 368592639 /nfs/dbraw/zinc/59/26/39/368592639.db2.gz ZUUURGCOLNVYMK-UHFFFAOYSA-N 1 2 219.288 1.410 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCSC ZINC000456350936 202937301 /nfs/dbraw/zinc/93/73/01/202937301.db2.gz AREPBCAHFGNOLZ-VIFPVBQESA-N 1 2 241.360 1.833 20 0 BDADLO CC[C@@H]1C[N@H+](CCOCC(F)(F)F)CCO1 ZINC000064626185 368609903 /nfs/dbraw/zinc/60/99/03/368609903.db2.gz YLJDEZDAWFSGNZ-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC[C@@H]1C[N@@H+](CCOCC(F)(F)F)CCO1 ZINC000064626185 368609906 /nfs/dbraw/zinc/60/99/06/368609906.db2.gz YLJDEZDAWFSGNZ-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)c1cc[nH]c1 ZINC000068231789 368719636 /nfs/dbraw/zinc/71/96/36/368719636.db2.gz VYNHPGQQBLJXIW-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000073791248 368817358 /nfs/dbraw/zinc/81/73/58/368817358.db2.gz AKMMLKRKLVLYNA-LBPRGKRZSA-N 1 2 235.331 1.922 20 0 BDADLO CC[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000073922416 368821480 /nfs/dbraw/zinc/82/14/80/368821480.db2.gz DDKYGSTXEGLSDG-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073074223 368792453 /nfs/dbraw/zinc/79/24/53/368792453.db2.gz OBZNJWQZPAZKMD-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000073073052 368792682 /nfs/dbraw/zinc/79/26/82/368792682.db2.gz JBDDOYLCIZWPDF-STQMWFEESA-N 1 2 241.294 1.555 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)sn1 ZINC000616009993 368874753 /nfs/dbraw/zinc/87/47/53/368874753.db2.gz JGAMMYWCHLBFHS-BJOHPYRUSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)sn1 ZINC000616009993 368874755 /nfs/dbraw/zinc/87/47/55/368874755.db2.gz JGAMMYWCHLBFHS-BJOHPYRUSA-N 1 2 246.401 1.650 20 0 BDADLO C[C@@H](CC(=O)NCC1CSC1)n1cc[nH+]c1 ZINC000616071024 368936274 /nfs/dbraw/zinc/93/62/74/368936274.db2.gz SUUPAMPGTMKCGU-VIFPVBQESA-N 1 2 239.344 1.313 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000616164921 368998945 /nfs/dbraw/zinc/99/89/45/368998945.db2.gz KSWXUAUICXOZCX-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000616164921 368998953 /nfs/dbraw/zinc/99/89/53/368998953.db2.gz KSWXUAUICXOZCX-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO CCn1cc[nH+]c1CNc1cnn(CCF)c1 ZINC000623659413 369029611 /nfs/dbraw/zinc/02/96/11/369029611.db2.gz XIRVIAVRCBZBHT-UHFFFAOYSA-N 1 2 237.282 1.681 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000130813290 369090070 /nfs/dbraw/zinc/09/00/70/369090070.db2.gz ZAGQCTUJUCGQLJ-AEJSXWLSSA-N 1 2 231.336 1.730 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)C1CCC1 ZINC000457621034 203081688 /nfs/dbraw/zinc/08/16/88/203081688.db2.gz USXAILKNYAEQPI-MRVPVSSYSA-N 1 2 221.304 1.771 20 0 BDADLO CCc1cc(NCCOCC2CC2)nc[nH+]1 ZINC000226530534 369121306 /nfs/dbraw/zinc/12/13/06/369121306.db2.gz NRABMQYIMOSOPB-UHFFFAOYSA-N 1 2 221.304 1.878 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC2(C)C)c1 ZINC000457851017 203112570 /nfs/dbraw/zinc/11/25/70/203112570.db2.gz HEIKEKVNYOWODS-SNVBAGLBSA-N 1 2 221.304 1.125 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000458087812 203131102 /nfs/dbraw/zinc/13/11/02/203131102.db2.gz CJKDXNRUHCSZAZ-DGCLKSJQSA-N 1 2 235.331 1.824 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000458109575 203134197 /nfs/dbraw/zinc/13/41/97/203134197.db2.gz FOFPDNPUSSXRHX-WCFLWFBJSA-N 1 2 247.342 1.606 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000458128622 203136523 /nfs/dbraw/zinc/13/65/23/203136523.db2.gz MUOXDNNAZWONMM-GXTWGEPZSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](O)C(C)(C)C1 ZINC000567487525 326202567 /nfs/dbraw/zinc/20/25/67/326202567.db2.gz RXYBWVCHSXUMSS-LLVKDONJSA-N 1 2 235.331 1.691 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2cnccc2c1 ZINC000618808650 369219757 /nfs/dbraw/zinc/21/97/57/369219757.db2.gz HSFDFJUYJWKZJQ-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000618808650 369219764 /nfs/dbraw/zinc/21/97/64/369219764.db2.gz HSFDFJUYJWKZJQ-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO CC/C=C\CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000459014607 203222151 /nfs/dbraw/zinc/22/21/51/203222151.db2.gz OWWKCHSKBIIEQG-PLNGDYQASA-N 1 2 236.319 1.228 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCc1cn[nH]c1)C(=O)OC ZINC000459402493 203273496 /nfs/dbraw/zinc/27/34/96/203273496.db2.gz JTOSMCAPFAFOPT-KOLCDFICSA-N 1 2 239.319 1.130 20 0 BDADLO COCCOC1C[NH+](Cc2occc2C)C1 ZINC000459470567 203288542 /nfs/dbraw/zinc/28/85/42/203288542.db2.gz SNNGNJDQIQXZRJ-UHFFFAOYSA-N 1 2 225.288 1.435 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000459483649 203289532 /nfs/dbraw/zinc/28/95/32/203289532.db2.gz GCRHPQRKBPKJMM-SFYZADRCSA-N 1 2 239.275 1.087 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000459483649 203289535 /nfs/dbraw/zinc/28/95/35/203289535.db2.gz GCRHPQRKBPKJMM-SFYZADRCSA-N 1 2 239.275 1.087 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619369985 369328480 /nfs/dbraw/zinc/32/84/80/369328480.db2.gz VUBONFUMMAVFBM-GHMZBOCLSA-N 1 2 233.315 1.221 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459525526 203295968 /nfs/dbraw/zinc/29/59/68/203295968.db2.gz KUTWWMLRALFWBR-XNWIYYODSA-N 1 2 213.321 1.962 20 0 BDADLO COCc1cc(C[NH2+][C@@H]2CCC[C@@H]2F)no1 ZINC000459591267 203310019 /nfs/dbraw/zinc/31/00/19/203310019.db2.gz NSGLQSBCZJKROC-WDEREUQCSA-N 1 2 228.267 1.801 20 0 BDADLO CCCc1csc(C[NH+]2CC(CCO)C2)n1 ZINC000459588873 203310090 /nfs/dbraw/zinc/31/00/90/203310090.db2.gz HDISNKSVBAFSGB-UHFFFAOYSA-N 1 2 240.372 1.910 20 0 BDADLO CCOC1(C)C[NH+](Cc2cncs2)C1 ZINC000459615539 203313396 /nfs/dbraw/zinc/31/33/96/203313396.db2.gz FLLYWHAHEOVHGT-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@@](COC)([NH2+]CC1CCCC1)C(=O)OC ZINC000459558529 203301531 /nfs/dbraw/zinc/30/15/31/203301531.db2.gz NYYISCFDNBYBTK-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO COC(=O)CC1CC(Nc2c[nH]c[nH+]2)C1 ZINC000567722747 326251328 /nfs/dbraw/zinc/25/13/28/326251328.db2.gz LBCUCLBJPVFXEC-UHFFFAOYSA-N 1 2 209.249 1.163 20 0 BDADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1cscn1 ZINC000108422646 369394701 /nfs/dbraw/zinc/39/47/01/369394701.db2.gz DTPBMVZOROPOEQ-UHFFFAOYSA-N 1 2 227.333 1.100 20 0 BDADLO CC(C)n1nccc1C[NH+]1CC(C)(CO)C1 ZINC000459617000 203317484 /nfs/dbraw/zinc/31/74/84/203317484.db2.gz AYTXQXUWSFRBKZ-UHFFFAOYSA-N 1 2 223.320 1.278 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403548463 369404941 /nfs/dbraw/zinc/40/49/41/369404941.db2.gz RTXZXVHMHVGJJY-GMTAPVOTSA-N 1 2 233.315 1.771 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC1CC1)CC2 ZINC000623694965 369457230 /nfs/dbraw/zinc/45/72/30/369457230.db2.gz VXVXXCNUPDXSIN-NSHDSACASA-N 1 2 233.315 1.280 20 0 BDADLO CCCC[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000230696670 369457586 /nfs/dbraw/zinc/45/75/86/369457586.db2.gz KUIHCFYGMXYOCO-VQXHTEKXSA-N 1 2 229.320 1.485 20 0 BDADLO c1cc2c(nc(C3CC3)[nH+]c2NC2CC2)[nH]1 ZINC000631032728 370974809 /nfs/dbraw/zinc/97/48/09/370974809.db2.gz JHIQCLHROQDGNV-UHFFFAOYSA-N 1 2 214.272 1.832 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NC[C@@H](C)O)[nH+]1 ZINC000631034669 370983488 /nfs/dbraw/zinc/98/34/88/370983488.db2.gz ZJQKNHGKEPZNLD-MRVPVSSYSA-N 1 2 234.303 1.296 20 0 BDADLO C[C@H]1CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000619667029 369517946 /nfs/dbraw/zinc/51/79/46/369517946.db2.gz MQKNRPXHZMQQBK-NSHDSACASA-N 1 2 236.319 1.467 20 0 BDADLO C[C@@H](NC(=O)C1CCCC1)c1[nH+]ccn1C ZINC000082278101 370978772 /nfs/dbraw/zinc/97/87/72/370978772.db2.gz SGUWVPZGGYXUCH-SECBINFHSA-N 1 2 221.304 1.788 20 0 BDADLO Cc1noc(C)c1[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000073130194 369545928 /nfs/dbraw/zinc/54/59/28/369545928.db2.gz OGHREKIXSDUCHT-LURJTMIESA-N 1 2 248.286 1.814 20 0 BDADLO COC(=O)c1cnc(/C=C/c2cn(C)c[nH+]2)s1 ZINC000619743216 369568690 /nfs/dbraw/zinc/56/86/90/369568690.db2.gz JHUWWGJDYDPAIN-ONEGZZNKSA-N 1 2 249.295 1.834 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000620075880 369711082 /nfs/dbraw/zinc/71/10/82/369711082.db2.gz FDEHZXSIHMUXRD-LBPRGKRZSA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000620045982 369690198 /nfs/dbraw/zinc/69/01/98/369690198.db2.gz PMJZHHCYXYLWQM-ZDUSSCGKSA-N 1 2 238.375 1.879 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]1C ZINC000620211783 369770544 /nfs/dbraw/zinc/77/05/44/369770544.db2.gz QATCUUKXLKPGTJ-JTQLQIEISA-N 1 2 243.310 1.966 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620601439 369950436 /nfs/dbraw/zinc/95/04/36/369950436.db2.gz XGQVLRFOJKFFES-NXEZZACHSA-N 1 2 223.320 1.889 20 0 BDADLO C[C@@H](NC(=O)CCC(C)(C)O)c1[nH+]ccn1C ZINC000620604062 369951725 /nfs/dbraw/zinc/95/17/25/369951725.db2.gz NSJJIZPXNDENMK-SECBINFHSA-N 1 2 239.319 1.148 20 0 BDADLO C[C@@H](NC(=O)Cc1ccoc1)c1[nH+]ccn1C ZINC000620604900 369952711 /nfs/dbraw/zinc/95/27/11/369952711.db2.gz WQTVLYNKILAASU-SECBINFHSA-N 1 2 233.271 1.433 20 0 BDADLO COCC(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604890 369952745 /nfs/dbraw/zinc/95/27/45/369952745.db2.gz XWIBCQSPEZCOBW-SECBINFHSA-N 1 2 239.319 1.270 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)ccn1 ZINC000620606631 369955751 /nfs/dbraw/zinc/95/57/51/369955751.db2.gz XWJDQYQIPQBLQX-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CCC(=O)C1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000620611050 369956969 /nfs/dbraw/zinc/95/69/69/369956969.db2.gz XVFWANRJJWEQMH-VIFPVBQESA-N 1 2 249.314 1.357 20 0 BDADLO COc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)o1 ZINC000620612488 369957948 /nfs/dbraw/zinc/95/79/48/369957948.db2.gz WSYQITWVIDVPQZ-MRVPVSSYSA-N 1 2 249.270 1.513 20 0 BDADLO Cc1cn2ccc(NC(=O)CC(C)(C)O)cc2[nH+]1 ZINC000620650692 369972683 /nfs/dbraw/zinc/97/26/83/369972683.db2.gz CCPHUQRKOAJQGZ-UHFFFAOYSA-N 1 2 247.298 1.742 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594889 369948214 /nfs/dbraw/zinc/94/82/14/369948214.db2.gz IDCPCVFGIXMJKD-UWVGGRQHSA-N 1 2 239.319 1.412 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000620744216 369991565 /nfs/dbraw/zinc/99/15/65/369991565.db2.gz XNFRXPRZOLQOHT-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO COCc1nc(C[N@H+](C)C(C)(C)CO)cs1 ZINC000075749244 370170627 /nfs/dbraw/zinc/17/06/27/370170627.db2.gz WMOYIQAIRQIIJT-UHFFFAOYSA-N 1 2 244.360 1.492 20 0 BDADLO COCc1nc(C[N@@H+](C)C(C)(C)CO)cs1 ZINC000075749244 370170629 /nfs/dbraw/zinc/17/06/29/370170629.db2.gz WMOYIQAIRQIIJT-UHFFFAOYSA-N 1 2 244.360 1.492 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cncc(Cl)c1 ZINC000621248501 370183079 /nfs/dbraw/zinc/18/30/79/370183079.db2.gz MDOXKTSNGQQGFU-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cncc(Cl)c1 ZINC000621248501 370183080 /nfs/dbraw/zinc/18/30/80/370183080.db2.gz MDOXKTSNGQQGFU-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC(C)(C(=O)NCCc1ccco1)c1c[nH]c[nH+]1 ZINC000621252633 370186716 /nfs/dbraw/zinc/18/67/16/370186716.db2.gz XDUWMFRJVMENEQ-UHFFFAOYSA-N 1 2 247.298 1.639 20 0 BDADLO COCc1nc(C[N@@H+]2CCCOCC2)cs1 ZINC000075675067 370163625 /nfs/dbraw/zinc/16/36/25/370163625.db2.gz KZBMQOBGAPLEQU-UHFFFAOYSA-N 1 2 242.344 1.512 20 0 BDADLO COCc1nc(C[N@H+]2CCCOCC2)cs1 ZINC000075675067 370163629 /nfs/dbraw/zinc/16/36/29/370163629.db2.gz KZBMQOBGAPLEQU-UHFFFAOYSA-N 1 2 242.344 1.512 20 0 BDADLO CC(C)(CNc1nncs1)[NH+]1CCOCC1 ZINC000309710805 370247117 /nfs/dbraw/zinc/24/71/17/370247117.db2.gz XASAZAYLFNFQRK-UHFFFAOYSA-N 1 2 242.348 1.061 20 0 BDADLO CCc1cc(NCC[C@H]2CC2(F)F)nc[nH+]1 ZINC000621345370 370279005 /nfs/dbraw/zinc/27/90/05/370279005.db2.gz KBKYSRGGWFLWJF-QMMMGPOBSA-N 1 2 227.258 1.918 20 0 BDADLO CCCN(c1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000568246894 326333658 /nfs/dbraw/zinc/33/36/58/326333658.db2.gz ZXMDJLALBSVPDI-UHFFFAOYSA-N 1 2 237.351 1.871 20 0 BDADLO CCCN(c1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC000568246894 326333661 /nfs/dbraw/zinc/33/36/61/326333661.db2.gz ZXMDJLALBSVPDI-UHFFFAOYSA-N 1 2 237.351 1.871 20 0 BDADLO CC(C)(C(=O)N1C2CCC1CC2)c1c[nH+]c[nH]1 ZINC000621387037 370330064 /nfs/dbraw/zinc/33/00/64/370330064.db2.gz ZAOFYMNPRKPKGH-UHFFFAOYSA-N 1 2 233.315 1.841 20 0 BDADLO CCc1noc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000076744922 370349540 /nfs/dbraw/zinc/34/95/40/370349540.db2.gz XPWZJNSVIBBLHU-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000076744922 370349543 /nfs/dbraw/zinc/34/95/43/370349543.db2.gz XPWZJNSVIBBLHU-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO O=C(CCCF)NCCNc1cccc[nH+]1 ZINC000621425044 370350285 /nfs/dbraw/zinc/35/02/85/370350285.db2.gz NTJVGYJNJBHRLI-UHFFFAOYSA-N 1 2 225.267 1.359 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(O)cc1)C(C)C ZINC000094687834 370447510 /nfs/dbraw/zinc/44/75/10/370447510.db2.gz CMFFGSIVGHSMBV-UHFFFAOYSA-N 1 2 237.299 1.776 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(O)cc1)C(C)C ZINC000094687834 370447512 /nfs/dbraw/zinc/44/75/12/370447512.db2.gz CMFFGSIVGHSMBV-UHFFFAOYSA-N 1 2 237.299 1.776 20 0 BDADLO Cc1nccnc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000621708848 370453448 /nfs/dbraw/zinc/45/34/48/370453448.db2.gz BYZVTDFMIVEWDE-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000621717148 370466032 /nfs/dbraw/zinc/46/60/32/370466032.db2.gz XOMGTCJQZNBQMR-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000621717148 370466038 /nfs/dbraw/zinc/46/60/38/370466038.db2.gz XOMGTCJQZNBQMR-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000621721381 370472492 /nfs/dbraw/zinc/47/24/92/370472492.db2.gz MSFPKKOMDXWHSL-KOLCDFICSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccnc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000621721381 370472497 /nfs/dbraw/zinc/47/24/97/370472497.db2.gz MSFPKKOMDXWHSL-KOLCDFICSA-N 1 2 223.295 1.965 20 0 BDADLO O=C(CCCc1ccccn1)NCc1[nH]cc[nH+]1 ZINC000114338582 370554275 /nfs/dbraw/zinc/55/42/75/370554275.db2.gz UXVVOFCWARJBOA-UHFFFAOYSA-N 1 2 244.298 1.444 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CCC1 ZINC000621932499 370606973 /nfs/dbraw/zinc/60/69/73/370606973.db2.gz FDRYCXBIEJJBDF-SECBINFHSA-N 1 2 235.331 1.992 20 0 BDADLO Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1c[nH]c[nH+]1)N2 ZINC000078763949 370597431 /nfs/dbraw/zinc/59/74/31/370597431.db2.gz DWCOHTGPOTXLQB-LBPRGKRZSA-N 1 2 242.282 1.914 20 0 BDADLO Cc1nsc(NCCc2cn(C)c[nH+]2)n1 ZINC000313473645 370590000 /nfs/dbraw/zinc/59/00/00/370590000.db2.gz VPVATZJEGBGSAC-UHFFFAOYSA-N 1 2 223.305 1.235 20 0 BDADLO C[C@@H](O)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000569250862 326397911 /nfs/dbraw/zinc/39/79/11/326397911.db2.gz UGZVHGBDMYBJAN-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO CCCCc1cc(NC[C@H](C)CO)nc[nH+]1 ZINC000631071392 371322041 /nfs/dbraw/zinc/32/20/41/371322041.db2.gz LMXJKFTXHMNBCE-JTQLQIEISA-N 1 2 223.320 1.281 20 0 BDADLO C/C=C\CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000624166278 371359609 /nfs/dbraw/zinc/35/96/09/371359609.db2.gz VBNULNJSMNWHIH-RWCMCFKCSA-N 1 2 234.303 1.764 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000392413647 371386091 /nfs/dbraw/zinc/38/60/91/371386091.db2.gz FQJFKKVLBNTLNG-SECBINFHSA-N 1 2 241.298 1.836 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000624221939 371409506 /nfs/dbraw/zinc/40/95/06/371409506.db2.gz LMFDZMXZRMIPNM-RLCGTCKNSA-N 1 2 235.331 1.936 20 0 BDADLO COC[C@](C)(O)CCNc1[nH+]cccc1OC ZINC000624248493 371434252 /nfs/dbraw/zinc/43/42/52/371434252.db2.gz OZFCJAPDKIZZPC-GFCCVEGCSA-N 1 2 240.303 1.290 20 0 BDADLO c1[nH+]c2ccccn2c1CN1CCOCC1 ZINC000157323234 371542499 /nfs/dbraw/zinc/54/24/99/371542499.db2.gz HXHZZXYLDRYJPH-UHFFFAOYSA-N 1 2 217.272 1.167 20 0 BDADLO CCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627369202 371587282 /nfs/dbraw/zinc/58/72/82/371587282.db2.gz NOEINCAMWSLFRJ-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO CCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627369202 371587287 /nfs/dbraw/zinc/58/72/87/371587287.db2.gz NOEINCAMWSLFRJ-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)oc1C ZINC000627369395 371587775 /nfs/dbraw/zinc/58/77/75/371587775.db2.gz RPUJNSPVLCSVAH-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)oc1C ZINC000627369395 371587780 /nfs/dbraw/zinc/58/77/80/371587780.db2.gz RPUJNSPVLCSVAH-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO CCc1nocc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627374226 371592210 /nfs/dbraw/zinc/59/22/10/371592210.db2.gz NRBHIZMIJCOBGK-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO CCc1nocc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627374226 371592216 /nfs/dbraw/zinc/59/22/16/371592216.db2.gz NRBHIZMIJCOBGK-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO COC1CC(C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000627465663 371638630 /nfs/dbraw/zinc/63/86/30/371638630.db2.gz LUUDKBUMVHMESQ-AFPNSQJFSA-N 1 2 223.276 1.012 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[C@H]1C)CC2 ZINC000627537373 371689932 /nfs/dbraw/zinc/68/99/32/371689932.db2.gz FZQWMMVRWZALCD-MVWJERBFSA-N 1 2 247.342 1.621 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627603836 371773665 /nfs/dbraw/zinc/77/36/65/371773665.db2.gz IQOAZZOSFKILON-ZYOFXKKJSA-N 1 2 247.342 1.836 20 0 BDADLO COC1CC(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000627658554 371817458 /nfs/dbraw/zinc/81/74/58/371817458.db2.gz GVQHRIMGKRSSOX-AGVGLQIMSA-N 1 2 249.314 1.430 20 0 BDADLO C[C@H]1OCC[C@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000631204161 372233547 /nfs/dbraw/zinc/23/35/47/372233547.db2.gz YXEFDHGMZWKJTE-BXKDBHETSA-N 1 2 221.304 1.737 20 0 BDADLO CCc1cccc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000631342524 372302878 /nfs/dbraw/zinc/30/28/78/372302878.db2.gz YVNFWUXXVBJTRL-UHFFFAOYSA-N 1 2 243.314 1.189 20 0 BDADLO CCc1cccc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000631342524 372302887 /nfs/dbraw/zinc/30/28/87/372302887.db2.gz YVNFWUXXVBJTRL-UHFFFAOYSA-N 1 2 243.314 1.189 20 0 BDADLO Cc1nc(N2CCC(C)=C(C)C2)nc(N)[nH+]1 ZINC000631258802 372265470 /nfs/dbraw/zinc/26/54/70/372265470.db2.gz ZJUNQVKYCLMIMW-UHFFFAOYSA-N 1 2 219.292 1.139 20 0 BDADLO Cc1nc(N)nc(N2CCC(C)=C(C)C2)[nH+]1 ZINC000631258802 372265478 /nfs/dbraw/zinc/26/54/78/372265478.db2.gz ZJUNQVKYCLMIMW-UHFFFAOYSA-N 1 2 219.292 1.139 20 0 BDADLO Cc1nc(N2CCC[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631284140 372276509 /nfs/dbraw/zinc/27/65/09/372276509.db2.gz DQRCSMPZACKRPS-SNVBAGLBSA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](C3CC3)C2)[nH+]1 ZINC000631284140 372276515 /nfs/dbraw/zinc/27/65/15/372276515.db2.gz DQRCSMPZACKRPS-SNVBAGLBSA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(NCC2(C3CCC3)CCC2)nc(N)[nH+]1 ZINC000631305015 372286824 /nfs/dbraw/zinc/28/68/24/372286824.db2.gz POOXBZQLDUKYBG-UHFFFAOYSA-N 1 2 247.346 1.397 20 0 BDADLO Cc1nc(N)nc(NCC2(C3CCC3)CCC2)[nH+]1 ZINC000631305015 372286829 /nfs/dbraw/zinc/28/68/29/372286829.db2.gz POOXBZQLDUKYBG-UHFFFAOYSA-N 1 2 247.346 1.397 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cc(C(N)=O)co2)o1 ZINC000189406682 259552348 /nfs/dbraw/zinc/55/23/48/259552348.db2.gz AVWTWVSBWBQEMJ-UHFFFAOYSA-N 1 2 248.282 1.824 20 0 BDADLO CC(C)(F)CNc1cc[nH+]c(C2CC2)n1 ZINC000631408144 372341538 /nfs/dbraw/zinc/34/15/38/372341538.db2.gz OIXGAFGBSUHSMF-UHFFFAOYSA-N 1 2 209.268 1.936 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1ccncc1 ZINC000631413876 372346488 /nfs/dbraw/zinc/34/64/88/372346488.db2.gz LZEMRZNXKYGCDP-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1ccncc1 ZINC000631413876 372346492 /nfs/dbraw/zinc/34/64/92/372346492.db2.gz LZEMRZNXKYGCDP-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO CCC[C@H](CCO)Nc1cc(C)[nH+]cn1 ZINC000631428069 372359298 /nfs/dbraw/zinc/35/92/98/372359298.db2.gz ZZIOSVCAQAVTLE-SNVBAGLBSA-N 1 2 209.293 1.748 20 0 BDADLO CC[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000631485448 372389092 /nfs/dbraw/zinc/38/90/92/372389092.db2.gz GBWDDUCXPYLZGR-LBPRGKRZSA-N 1 2 221.304 1.526 20 0 BDADLO CC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000631485447 372389136 /nfs/dbraw/zinc/38/91/36/372389136.db2.gz GBWDDUCXPYLZGR-GFCCVEGCSA-N 1 2 221.304 1.526 20 0 BDADLO Cc1cnc(C(=O)NCC(C)(C)n2cc[nH+]c2)o1 ZINC000631537501 372414411 /nfs/dbraw/zinc/41/44/11/372414411.db2.gz VDYZZJUWQYMVNJ-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO Cc1nocc1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000631440677 372366349 /nfs/dbraw/zinc/36/63/49/372366349.db2.gz WXUMCFMCJRAHMT-UHFFFAOYSA-N 1 2 243.270 1.597 20 0 BDADLO CC(C)CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418417 372574760 /nfs/dbraw/zinc/57/47/60/372574760.db2.gz QZHNEANZBLJIGX-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO CC(C)C1(S(=O)(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000632144126 372780913 /nfs/dbraw/zinc/78/09/13/372780913.db2.gz PDMAVQINQJWQMS-UHFFFAOYSA-N 1 2 243.332 1.018 20 0 BDADLO CC[C@H](C)Cc1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000632249504 372831562 /nfs/dbraw/zinc/83/15/62/372831562.db2.gz OUUAMUNRIIINBA-VHSXEESVSA-N 1 2 239.319 1.661 20 0 BDADLO CC[C@H](C)Cc1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000632249504 372831571 /nfs/dbraw/zinc/83/15/71/372831571.db2.gz OUUAMUNRIIINBA-VHSXEESVSA-N 1 2 239.319 1.661 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000171991110 372848684 /nfs/dbraw/zinc/84/86/84/372848684.db2.gz NRZIAHROBPNVTO-VIFPVBQESA-N 1 2 220.263 1.100 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171991110 372848689 /nfs/dbraw/zinc/84/86/89/372848689.db2.gz NRZIAHROBPNVTO-VIFPVBQESA-N 1 2 220.263 1.100 20 0 BDADLO O=C(C[C@H]1COCC[N@@H+]1CC1CC1)c1ccco1 ZINC000120975203 182031009 /nfs/dbraw/zinc/03/10/09/182031009.db2.gz UVMQBUTWADLKQQ-LBPRGKRZSA-N 1 2 249.310 1.963 20 0 BDADLO O=C(C[C@H]1COCC[N@H+]1CC1CC1)c1ccco1 ZINC000120975203 182031013 /nfs/dbraw/zinc/03/10/13/182031013.db2.gz UVMQBUTWADLKQQ-LBPRGKRZSA-N 1 2 249.310 1.963 20 0 BDADLO CC[C@H](NC(=O)c1nocc1C)c1[nH]cc[nH+]1 ZINC000632509967 372978819 /nfs/dbraw/zinc/97/88/19/372978819.db2.gz TVRBNGJJMXIGHU-QMMMGPOBSA-N 1 2 234.259 1.587 20 0 BDADLO O=C(Cc1ccncc1)NCCCn1cc[nH+]c1 ZINC000082269971 182053798 /nfs/dbraw/zinc/05/37/98/182053798.db2.gz PJGZKJHKRQDLLT-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NCC(F)F ZINC000174559775 182058884 /nfs/dbraw/zinc/05/88/84/182058884.db2.gz HIADYHUAVIFWKU-UHFFFAOYSA-N 1 2 239.225 1.258 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1cc(Cl)ccn1 ZINC000358352258 182085489 /nfs/dbraw/zinc/08/54/89/182085489.db2.gz KWJASRUSMXCXNB-UHFFFAOYSA-N 1 2 249.657 1.510 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCCC12CC2 ZINC000633032935 373256463 /nfs/dbraw/zinc/25/64/63/373256463.db2.gz DMROFQCBEFNLGP-JTQLQIEISA-N 1 2 248.330 1.552 20 0 BDADLO O=C(NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117742358 182099573 /nfs/dbraw/zinc/09/95/73/182099573.db2.gz RLVBRHDJGKSENZ-UHFFFAOYSA-N 1 2 227.267 1.765 20 0 BDADLO CC(=O)CN(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000633221064 373363821 /nfs/dbraw/zinc/36/38/21/373363821.db2.gz NZFHBHRDQPSMQY-UHFFFAOYSA-N 1 2 237.303 1.168 20 0 BDADLO CC(=O)CN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC000633222781 373366507 /nfs/dbraw/zinc/36/65/07/373366507.db2.gz PUFZVWPROZPEPV-UHFFFAOYSA-N 1 2 237.303 1.099 20 0 BDADLO O=C(NC1C[NH+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000297496464 182117764 /nfs/dbraw/zinc/11/77/64/182117764.db2.gz VQJYELMLBUZHBF-UHFFFAOYSA-N 1 2 248.301 1.536 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633236692 373388063 /nfs/dbraw/zinc/38/80/63/373388063.db2.gz RGTWAMGNOFYGIP-BDAKNGLRSA-N 1 2 222.292 1.350 20 0 BDADLO Cc1nocc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000633280411 373444783 /nfs/dbraw/zinc/44/47/83/373444783.db2.gz OIDADODCRKBXLZ-VIFPVBQESA-N 1 2 248.286 1.447 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000633305799 373462597 /nfs/dbraw/zinc/46/25/97/373462597.db2.gz ZHAWJXMVNSBXGC-OUAUKWLOSA-N 1 2 248.330 1.740 20 0 BDADLO O=C(NCC1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000170888599 182136755 /nfs/dbraw/zinc/13/67/55/182136755.db2.gz QRUMUONTHVRZAU-UHFFFAOYSA-N 1 2 248.330 1.640 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)F ZINC000633392517 373521073 /nfs/dbraw/zinc/52/10/73/373521073.db2.gz UEYQZNILUCGLCG-UHFFFAOYSA-N 1 2 228.271 1.299 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)F ZINC000633392517 373521082 /nfs/dbraw/zinc/52/10/82/373521082.db2.gz UEYQZNILUCGLCG-UHFFFAOYSA-N 1 2 228.271 1.299 20 0 BDADLO C[C@@H](NC(=O)CC1CSC1)c1[nH+]ccn1C ZINC000633648438 373657462 /nfs/dbraw/zinc/65/74/62/373657462.db2.gz GKWCSGUXASVGEM-MRVPVSSYSA-N 1 2 239.344 1.350 20 0 BDADLO O=C(NCCC1CC1)c1ccc2[nH+]ccn2c1 ZINC000081037685 182156891 /nfs/dbraw/zinc/15/68/91/182156891.db2.gz BLWJGHBMKMENSE-UHFFFAOYSA-N 1 2 229.283 1.864 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)Nc1cccnc1 ZINC000048388365 182177771 /nfs/dbraw/zinc/17/77/71/182177771.db2.gz LUUJOWSHSYBNQO-UHFFFAOYSA-N 1 2 245.286 1.490 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCS1 ZINC000266605329 182178850 /nfs/dbraw/zinc/17/88/50/182178850.db2.gz QFJAIDSFFDTZQZ-SNVBAGLBSA-N 1 2 239.344 1.285 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccc(F)nc1 ZINC000070081830 182179035 /nfs/dbraw/zinc/17/90/35/182179035.db2.gz IXSDQHZRSHFRQF-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO O=C(NCCF)C1CC[NH+](CC(F)F)CC1 ZINC000357680192 182179111 /nfs/dbraw/zinc/17/91/11/182179111.db2.gz WOQYFLZOZXCOMG-UHFFFAOYSA-N 1 2 238.253 1.049 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000130696748 182215533 /nfs/dbraw/zinc/21/55/33/182215533.db2.gz XXDBWPCSJNYYOF-TXEJJXNPSA-N 1 2 248.330 1.325 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CC=CCC1 ZINC000077537255 182215572 /nfs/dbraw/zinc/21/55/72/182215572.db2.gz QETRHMOGCKBIJV-NSHDSACASA-N 1 2 234.303 1.291 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccoc1C1CC1 ZINC000337005600 182211470 /nfs/dbraw/zinc/21/14/70/182211470.db2.gz ZYCZPRYWJZAARO-UHFFFAOYSA-N 1 2 245.282 1.853 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ncnn2C)o1 ZINC000173871035 374110324 /nfs/dbraw/zinc/11/03/24/374110324.db2.gz CQBQJZBXNYCSEF-GXSJLCMTSA-N 1 2 246.314 1.821 20 0 BDADLO O=C(NC[C@H]1CCCO1)c1ccc2[nH+]ccn2c1 ZINC000057823448 182238915 /nfs/dbraw/zinc/23/89/15/182238915.db2.gz YJOSDLXJSAVZAF-LLVKDONJSA-N 1 2 245.282 1.243 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(Cl)nn1 ZINC000070853867 374206351 /nfs/dbraw/zinc/20/63/51/374206351.db2.gz GJWFAYCJIRKFPX-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C1CCC1 ZINC000178363799 182264726 /nfs/dbraw/zinc/26/47/26/182264726.db2.gz JNTAEICBHYDKHK-UHFFFAOYSA-N 1 2 229.283 1.751 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC(F)(F)C1 ZINC000281919469 182273316 /nfs/dbraw/zinc/27/33/16/182273316.db2.gz AKQCVPTZLSQCPV-QMMMGPOBSA-N 1 2 243.257 1.851 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnc(C3CC3)nc2)[C@H]1C ZINC000459340166 206010148 /nfs/dbraw/zinc/01/01/48/206010148.db2.gz DVGDXPWYYXSPQB-QWRGUYRKSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnc(C3CC3)nc2)[C@H]1C ZINC000459340166 206010152 /nfs/dbraw/zinc/01/01/52/206010152.db2.gz DVGDXPWYYXSPQB-QWRGUYRKSA-N 1 2 247.342 1.963 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)N1CCCO1 ZINC000292412502 182269022 /nfs/dbraw/zinc/26/90/22/182269022.db2.gz MJYNWGQQRSMDQU-UHFFFAOYSA-N 1 2 246.270 1.181 20 0 BDADLO CCCC[N@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000428230424 206056021 /nfs/dbraw/zinc/05/60/21/206056021.db2.gz OWFILJYJFIXJSM-UHFFFAOYSA-N 1 2 240.351 1.523 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000428230424 206056027 /nfs/dbraw/zinc/05/60/27/206056027.db2.gz OWFILJYJFIXJSM-UHFFFAOYSA-N 1 2 240.351 1.523 20 0 BDADLO CC1=C(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000437942699 206074117 /nfs/dbraw/zinc/07/41/17/206074117.db2.gz VUNNFJKSTCOHTI-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(C2CC2)CC1 ZINC000440696688 206079367 /nfs/dbraw/zinc/07/93/67/206079367.db2.gz JZBSKZOPJBMWKR-JTQLQIEISA-N 1 2 200.301 1.515 20 0 BDADLO CC[C@H](NC(=O)Nc1cc[nH+]cc1C)C(F)F ZINC000455041796 206114625 /nfs/dbraw/zinc/11/46/25/206114625.db2.gz XQAFRICDQSZWAT-QMMMGPOBSA-N 1 2 243.257 1.977 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000459702702 206138104 /nfs/dbraw/zinc/13/81/04/206138104.db2.gz FRGJNZTWAIKNNB-LLVKDONJSA-N 1 2 238.335 1.504 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000459702702 206138109 /nfs/dbraw/zinc/13/81/09/206138109.db2.gz FRGJNZTWAIKNNB-LLVKDONJSA-N 1 2 238.335 1.504 20 0 BDADLO COC(=O)[C@H]([N@@H+]1CC[C@H](F)C1)C1(OC)CCC1 ZINC000459493213 206131383 /nfs/dbraw/zinc/13/13/83/206131383.db2.gz YRSVJAPRCRELGW-UWVGGRQHSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@H]([N@H+]1CC[C@H](F)C1)C1(OC)CCC1 ZINC000459493213 206131385 /nfs/dbraw/zinc/13/13/85/206131385.db2.gz YRSVJAPRCRELGW-UWVGGRQHSA-N 1 2 245.294 1.141 20 0 BDADLO COC[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000459491467 206132079 /nfs/dbraw/zinc/13/20/79/206132079.db2.gz DAUZXDTWWLOTCD-JTQLQIEISA-N 1 2 227.304 1.097 20 0 BDADLO CC(C)OC1CC([N@H+](C)Cc2nncn2C)C1 ZINC000459543805 206134012 /nfs/dbraw/zinc/13/40/12/206134012.db2.gz YYSWIRMBDWILSX-UHFFFAOYSA-N 1 2 238.335 1.203 20 0 BDADLO CC(C)OC1CC([N@@H+](C)Cc2nncn2C)C1 ZINC000459543805 206134017 /nfs/dbraw/zinc/13/40/17/206134017.db2.gz YYSWIRMBDWILSX-UHFFFAOYSA-N 1 2 238.335 1.203 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH+]1CC(OC)C1 ZINC000459578562 206136339 /nfs/dbraw/zinc/13/63/39/206136339.db2.gz INHLRVZIBYOBBU-UHFFFAOYSA-N 1 2 237.347 1.376 20 0 BDADLO COC1C[NH+](C/C=C\c2ccncc2)C1 ZINC000459578407 206136478 /nfs/dbraw/zinc/13/64/78/206136478.db2.gz IFGBPBCNBHZXND-IHWYPQMZSA-N 1 2 204.273 1.425 20 0 BDADLO CC[C@](COC)([NH2+][C@@H]1C=CCCC1)C(=O)OC ZINC000459580543 206136489 /nfs/dbraw/zinc/13/64/89/206136489.db2.gz BEOAHVKFYNFJCW-DGCLKSJQSA-N 1 2 241.331 1.653 20 0 BDADLO O=C(Nc1cccc(Cl)c1)[C@H]1COCC[NH2+]1 ZINC000083872038 182367920 /nfs/dbraw/zinc/36/79/20/182367920.db2.gz NCLOMKAEGLLRBJ-SNVBAGLBSA-N 1 2 240.690 1.267 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C1=CCC1 ZINC000336250754 182374750 /nfs/dbraw/zinc/37/47/50/182374750.db2.gz IHQHFAUQMFCNLB-UHFFFAOYSA-N 1 2 213.240 1.993 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329091295 182638986 /nfs/dbraw/zinc/63/89/86/182638986.db2.gz AAAMCYBKUMQNOV-VHSXEESVSA-N 1 2 235.287 1.110 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329091294 182639880 /nfs/dbraw/zinc/63/98/80/182639880.db2.gz AAAMCYBKUMQNOV-UWVGGRQHSA-N 1 2 235.287 1.110 20 0 BDADLO CCOCC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000330817349 170398859 /nfs/dbraw/zinc/39/88/59/170398859.db2.gz GPGWJCSMLPDJDH-SECBINFHSA-N 1 2 240.307 1.074 20 0 BDADLO CCOCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000330817349 170398860 /nfs/dbraw/zinc/39/88/60/170398860.db2.gz GPGWJCSMLPDJDH-SECBINFHSA-N 1 2 240.307 1.074 20 0 BDADLO OC1(c2ccccc2)C[NH+](Cc2cccnc2)C1 ZINC000285745178 183022806 /nfs/dbraw/zinc/02/28/06/183022806.db2.gz QNXIXGGKAHHCKA-UHFFFAOYSA-N 1 2 240.306 1.785 20 0 BDADLO OC1(c2ccccc2)C[NH+](CCn2ccnc2)C1 ZINC000367528146 183022821 /nfs/dbraw/zinc/02/28/21/183022821.db2.gz WJVKRFSYHHKKQV-UHFFFAOYSA-N 1 2 243.310 1.087 20 0 BDADLO OCC1C[NH+](Cc2cnc(Cl)s2)C1 ZINC000086778064 183040482 /nfs/dbraw/zinc/04/04/82/183040482.db2.gz XBFUFQJPWLEDNO-UHFFFAOYSA-N 1 2 218.709 1.221 20 0 BDADLO OCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375796862 183056506 /nfs/dbraw/zinc/05/65/06/183056506.db2.gz TUMSDDYTMVNPQN-SNVBAGLBSA-N 1 2 211.261 1.035 20 0 BDADLO OCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375796862 183056507 /nfs/dbraw/zinc/05/65/07/183056507.db2.gz TUMSDDYTMVNPQN-SNVBAGLBSA-N 1 2 211.261 1.035 20 0 BDADLO OCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292863046 183059946 /nfs/dbraw/zinc/05/99/46/183059946.db2.gz WNIQTTVNBJLTIE-SNVBAGLBSA-N 1 2 215.243 1.965 20 0 BDADLO OCCCSCc1cn2ccccc2[nH+]1 ZINC000085163399 183062644 /nfs/dbraw/zinc/06/26/44/183062644.db2.gz AFCGZQWCZAYNJR-UHFFFAOYSA-N 1 2 222.313 1.950 20 0 BDADLO OCC[N@H+](CC(F)F)CC1CCCC1 ZINC000194856355 183064797 /nfs/dbraw/zinc/06/47/97/183064797.db2.gz XNPSQQZRENWGNF-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO OCC[N@@H+](CC(F)F)CC1CCCC1 ZINC000194856355 183064798 /nfs/dbraw/zinc/06/47/98/183064798.db2.gz XNPSQQZRENWGNF-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO OCCN(c1cc[nH+]c2ccncc21)C1CCC1 ZINC000275997505 183072387 /nfs/dbraw/zinc/07/23/87/183072387.db2.gz KPGHVVVTODFKHY-UHFFFAOYSA-N 1 2 243.310 1.981 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000177703073 183073772 /nfs/dbraw/zinc/07/37/72/183073772.db2.gz NAPAOQUBIVHXHS-GFCCVEGCSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000177703073 183073775 /nfs/dbraw/zinc/07/37/75/183073775.db2.gz NAPAOQUBIVHXHS-GFCCVEGCSA-N 1 2 225.263 1.191 20 0 BDADLO OCCNc1nc(NC2CC2)[nH+]c2ccccc21 ZINC000024052706 183080443 /nfs/dbraw/zinc/08/04/43/183080443.db2.gz SIRHBXOQRDSZHY-UHFFFAOYSA-N 1 2 244.298 1.608 20 0 BDADLO OCC[C@@H](NCc1[nH]cc[nH+]1)c1ccco1 ZINC000309487358 183090682 /nfs/dbraw/zinc/09/06/82/183090682.db2.gz GYANQBHRAFAUHM-SECBINFHSA-N 1 2 221.260 1.216 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccco1 ZINC000309487358 183090684 /nfs/dbraw/zinc/09/06/84/183090684.db2.gz GYANQBHRAFAUHM-SECBINFHSA-N 1 2 221.260 1.216 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000086001429 183119979 /nfs/dbraw/zinc/11/99/79/183119979.db2.gz ROWCNOZNGXHWRX-NZGHECTNSA-N 1 2 210.104 1.762 20 0 BDADLO OC[C@@H]1CCC[N@H+]1C/C(Cl)=C/Cl ZINC000086001429 183119982 /nfs/dbraw/zinc/11/99/82/183119982.db2.gz ROWCNOZNGXHWRX-NZGHECTNSA-N 1 2 210.104 1.762 20 0 BDADLO OCCc1cnn(Cc2[nH+]ccn2C(F)F)c1 ZINC000352342292 183101724 /nfs/dbraw/zinc/10/17/24/183101724.db2.gz QOUKYGUXBDCJIR-UHFFFAOYSA-N 1 2 242.229 1.058 20 0 BDADLO OC[C@@H](CC1CCCC1)[NH2+]Cc1ccn[nH]1 ZINC000309565351 183104169 /nfs/dbraw/zinc/10/41/69/183104169.db2.gz KTJLIMMCJDCOGL-GFCCVEGCSA-N 1 2 223.320 1.441 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000183771503 183110274 /nfs/dbraw/zinc/11/02/74/183110274.db2.gz ZUZQCNPFVQKYNZ-GFCCVEGCSA-N 1 2 218.256 1.498 20 0 BDADLO OC[C@H](CC1CCC1)[NH2+]Cc1ccn[nH]1 ZINC000279887954 183136545 /nfs/dbraw/zinc/13/65/45/183136545.db2.gz VCNIRNFEMUFOPW-NSHDSACASA-N 1 2 209.293 1.050 20 0 BDADLO OC[C@H]([NH2+]Cc1ccon1)c1cccc(F)c1 ZINC000359532328 183140530 /nfs/dbraw/zinc/14/05/30/183140530.db2.gz TYTVOEORZLJQDK-LBPRGKRZSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@H]([NH2+]Cc1cocn1)c1ccsc1 ZINC000308941018 183141472 /nfs/dbraw/zinc/14/14/72/183141472.db2.gz QCQPKYMJABXEDV-JTQLQIEISA-N 1 2 224.285 1.559 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000336720903 169026448 /nfs/dbraw/zinc/02/64/48/169026448.db2.gz YNWMUSWFPSVTSG-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000336720903 169026450 /nfs/dbraw/zinc/02/64/50/169026450.db2.gz YNWMUSWFPSVTSG-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000336681410 169031317 /nfs/dbraw/zinc/03/13/17/169031317.db2.gz CQRNUZIVMRXLQP-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCCc1noc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000336681410 169031319 /nfs/dbraw/zinc/03/13/19/169031319.db2.gz CQRNUZIVMRXLQP-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO OC[C@H]1CC(F)(F)CN1c1cccc[nH+]1 ZINC000368719067 183146559 /nfs/dbraw/zinc/14/65/59/183146559.db2.gz MPTLQUYMQZQFJR-MRVPVSSYSA-N 1 2 214.215 1.288 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000036900337 183179198 /nfs/dbraw/zinc/17/91/98/183179198.db2.gz OFSNDXQVVKWNFP-LBPRGKRZSA-N 1 2 217.272 1.233 20 0 BDADLO OCc1ccc(NCc2cncs2)[nH+]c1 ZINC000336737909 183166627 /nfs/dbraw/zinc/16/66/27/183166627.db2.gz QRIUZSRLCYLDSX-UHFFFAOYSA-N 1 2 221.285 1.643 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(Br)o2)C1 ZINC000061707827 183197841 /nfs/dbraw/zinc/19/78/41/183197841.db2.gz MYBXGPYLWHTMNV-SSDOTTSWSA-N 1 2 246.104 1.609 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000061707827 183197842 /nfs/dbraw/zinc/19/78/42/183197842.db2.gz MYBXGPYLWHTMNV-SSDOTTSWSA-N 1 2 246.104 1.609 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000086776832 183201284 /nfs/dbraw/zinc/20/12/84/183201284.db2.gz UPBJLLMDHLDDFW-ZCFIWIBFSA-N 1 2 218.709 1.363 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000086776832 183201287 /nfs/dbraw/zinc/20/12/87/183201287.db2.gz UPBJLLMDHLDDFW-ZCFIWIBFSA-N 1 2 218.709 1.363 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@@H]12 ZINC000228090004 183203598 /nfs/dbraw/zinc/20/35/98/183203598.db2.gz BHMJMVPXTVIAHF-GIPNMCIBSA-N 1 2 243.310 1.770 20 0 BDADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCC(F)(F)C1 ZINC000306168405 183190058 /nfs/dbraw/zinc/19/00/58/183190058.db2.gz CJPONDAVNLUUFO-RKDXNWHRSA-N 1 2 205.248 1.631 20 0 BDADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCC(F)(F)C1 ZINC000306168405 183190060 /nfs/dbraw/zinc/19/00/60/183190060.db2.gz CJPONDAVNLUUFO-RKDXNWHRSA-N 1 2 205.248 1.631 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336376941 183191394 /nfs/dbraw/zinc/19/13/94/183191394.db2.gz ATNBYMOZVPINIQ-MRVPVSSYSA-N 1 2 249.236 1.385 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336376941 183191397 /nfs/dbraw/zinc/19/13/97/183191397.db2.gz ATNBYMOZVPINIQ-MRVPVSSYSA-N 1 2 249.236 1.385 20 0 BDADLO O[C@H](C[N@@H+]1CCOC2(CCC2)C1)C(F)(F)F ZINC000121868072 183221618 /nfs/dbraw/zinc/22/16/18/183221618.db2.gz PSNXXPFOWRAFLN-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@H](C[N@H+]1CCOC2(CCC2)C1)C(F)(F)F ZINC000121868072 183221619 /nfs/dbraw/zinc/22/16/19/183221619.db2.gz PSNXXPFOWRAFLN-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO CCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338238208 169082763 /nfs/dbraw/zinc/08/27/63/169082763.db2.gz SEMLDQPCZVIPDY-UHFFFAOYSA-N 1 2 210.325 1.875 20 0 BDADLO CCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338238208 169082766 /nfs/dbraw/zinc/08/27/66/169082766.db2.gz SEMLDQPCZVIPDY-UHFFFAOYSA-N 1 2 210.325 1.875 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000066971066 183224050 /nfs/dbraw/zinc/22/40/50/183224050.db2.gz HKQBEWNYSVEWLQ-GFCCVEGCSA-N 1 2 235.262 1.372 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1scnc1C ZINC000269385053 169101817 /nfs/dbraw/zinc/10/18/17/169101817.db2.gz ZFZURRHNHKBJCZ-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1scnc1C ZINC000269385053 169101819 /nfs/dbraw/zinc/10/18/19/169101819.db2.gz ZFZURRHNHKBJCZ-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1conc1C ZINC000295429796 169093639 /nfs/dbraw/zinc/09/36/39/169093639.db2.gz SXRUBGWPFSKJCF-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1conc1C ZINC000295429796 169093641 /nfs/dbraw/zinc/09/36/41/169093641.db2.gz SXRUBGWPFSKJCF-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@H+](C/C=C/Cl)C1 ZINC000175787528 183214534 /nfs/dbraw/zinc/21/45/34/183214534.db2.gz XQIFZIIRSIDRFR-RMKMGNDCSA-N 1 2 229.629 1.738 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C/Cl)C1 ZINC000175787528 183214537 /nfs/dbraw/zinc/21/45/37/183214537.db2.gz XQIFZIIRSIDRFR-RMKMGNDCSA-N 1 2 229.629 1.738 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)C(C)C ZINC000308461418 169108605 /nfs/dbraw/zinc/10/86/05/169108605.db2.gz QZKUXOAIDZOJOK-VIFPVBQESA-N 1 2 209.280 1.980 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)C(C)C ZINC000308461418 169108607 /nfs/dbraw/zinc/10/86/07/169108607.db2.gz QZKUXOAIDZOJOK-VIFPVBQESA-N 1 2 209.280 1.980 20 0 BDADLO O[C@H]1CC[N@H+](Cc2c[nH]cn2)Cc2ccccc21 ZINC000375243471 183239841 /nfs/dbraw/zinc/23/98/41/183239841.db2.gz YHQRVJOELXDWME-AWEZNQCLSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2c[nH]cn2)Cc2ccccc21 ZINC000375243471 183239843 /nfs/dbraw/zinc/23/98/43/183239843.db2.gz YHQRVJOELXDWME-AWEZNQCLSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000375243471 183239845 /nfs/dbraw/zinc/23/98/45/183239845.db2.gz YHQRVJOELXDWME-AWEZNQCLSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000375243471 183239846 /nfs/dbraw/zinc/23/98/46/183239846.db2.gz YHQRVJOELXDWME-AWEZNQCLSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000080788078 183240080 /nfs/dbraw/zinc/24/00/80/183240080.db2.gz IRVKEYXAUUVVRA-QMMMGPOBSA-N 1 2 232.205 1.671 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@@H]1O ZINC000165820839 183244100 /nfs/dbraw/zinc/24/41/00/183244100.db2.gz MWXKIEQMZMVIPQ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@@H]1O ZINC000165820839 183244101 /nfs/dbraw/zinc/24/41/01/183244101.db2.gz MWXKIEQMZMVIPQ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1O ZINC000086331128 183244327 /nfs/dbraw/zinc/24/43/27/183244327.db2.gz ISKPAUPRZDUBJJ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1O ZINC000086331128 183244329 /nfs/dbraw/zinc/24/43/29/183244329.db2.gz ISKPAUPRZDUBJJ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cn(C)nc1C ZINC000179486420 169102310 /nfs/dbraw/zinc/10/23/10/169102310.db2.gz HWZVPRXQNVQZBD-UHFFFAOYSA-N 1 2 239.319 1.114 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cn(C)nc1C ZINC000179486420 169102313 /nfs/dbraw/zinc/10/23/13/169102313.db2.gz HWZVPRXQNVQZBD-UHFFFAOYSA-N 1 2 239.319 1.114 20 0 BDADLO CCCN(CCC)C(=O)NCc1[nH+]ccn1C ZINC000264195379 169143298 /nfs/dbraw/zinc/14/32/98/169143298.db2.gz PFMXFWRNBKOJNL-UHFFFAOYSA-N 1 2 238.335 1.752 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@@H+]2CC2CCC2)[nH]1 ZINC000333641727 183307061 /nfs/dbraw/zinc/30/70/61/183307061.db2.gz CDWCGLPVIKPYFL-SNVBAGLBSA-N 1 2 236.319 1.837 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@H+]2CC2CCC2)[nH]1 ZINC000333641727 183307065 /nfs/dbraw/zinc/30/70/65/183307065.db2.gz CDWCGLPVIKPYFL-SNVBAGLBSA-N 1 2 236.319 1.837 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](CC3CCC3)CC2)[nH]1 ZINC000329509702 183304720 /nfs/dbraw/zinc/30/47/20/183304720.db2.gz BGNAFHQVQOKBSG-UHFFFAOYSA-N 1 2 236.319 1.490 20 0 BDADLO CCC[N@H+](CCc1cn[nH]c1)CC(F)F ZINC000290088286 169170877 /nfs/dbraw/zinc/17/08/77/169170877.db2.gz RDEYNUCFKDSOKK-UHFFFAOYSA-N 1 2 217.263 1.929 20 0 BDADLO CCC[N@@H+](CCc1cn[nH]c1)CC(F)F ZINC000290088286 169170879 /nfs/dbraw/zinc/17/08/79/169170879.db2.gz RDEYNUCFKDSOKK-UHFFFAOYSA-N 1 2 217.263 1.929 20 0 BDADLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)CC(C)C ZINC000340933962 169180521 /nfs/dbraw/zinc/18/05/21/169180521.db2.gz AHMRKESYOLEAJR-UHFFFAOYSA-N 1 2 212.297 1.378 20 0 BDADLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)CC(C)C ZINC000340933962 169180523 /nfs/dbraw/zinc/18/05/23/169180523.db2.gz AHMRKESYOLEAJR-UHFFFAOYSA-N 1 2 212.297 1.378 20 0 BDADLO CCCN(Cc1[nH+]ccn1C)CC(F)F ZINC000299582891 169181045 /nfs/dbraw/zinc/18/10/45/169181045.db2.gz JECIPTZWQUZEGH-UHFFFAOYSA-N 1 2 217.263 1.897 20 0 BDADLO c1c[nH+]c(CNCc2noc3c2CCCC3)[nH]1 ZINC000288352159 183324442 /nfs/dbraw/zinc/32/44/42/183324442.db2.gz CBXBQAUXJPTDHC-UHFFFAOYSA-N 1 2 232.287 1.566 20 0 BDADLO CCCN1CCC[N@H+](Cc2cccnc2)CC1=O ZINC000189210343 169192409 /nfs/dbraw/zinc/19/24/09/169192409.db2.gz WBMBZBOGKMEAKB-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCCN1CCC[N@@H+](Cc2cccnc2)CC1=O ZINC000189210343 169192412 /nfs/dbraw/zinc/19/24/12/169192412.db2.gz WBMBZBOGKMEAKB-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCCN1CCC[N@H+](Cc2ccncc2)CC1=O ZINC000189207506 169193692 /nfs/dbraw/zinc/19/36/92/169193692.db2.gz FDMYQJBTOPTANC-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCCN1CCC[N@@H+](Cc2ccncc2)CC1=O ZINC000189207506 169193694 /nfs/dbraw/zinc/19/36/94/169193694.db2.gz FDMYQJBTOPTANC-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCCN1CCC[N@H+](Cc2ccccn2)CC1=O ZINC000189214511 169193737 /nfs/dbraw/zinc/19/37/37/169193737.db2.gz LAGMWONDGMQOKS-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCCN1CCC[N@@H+](Cc2ccccn2)CC1=O ZINC000189214511 169193738 /nfs/dbraw/zinc/19/37/38/169193738.db2.gz LAGMWONDGMQOKS-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2Cc2cc[nH]n2)[nH]1 ZINC000092730027 183327803 /nfs/dbraw/zinc/32/78/03/183327803.db2.gz XSJHQDVEHOZINE-NSHDSACASA-N 1 2 231.303 1.860 20 0 BDADLO O=c1[nH]nc(C[NH2+]C2(c3ccc(F)cc3)CC2)[nH]1 ZINC000340832408 183307438 /nfs/dbraw/zinc/30/74/38/183307438.db2.gz FBIKLNNEGADXBY-UHFFFAOYSA-N 1 2 248.261 1.428 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1cnns1)CC2 ZINC000296109378 183308745 /nfs/dbraw/zinc/30/87/45/183308745.db2.gz VDHGOQRVDKMWEQ-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cnns1)CC2 ZINC000296109378 183308749 /nfs/dbraw/zinc/30/87/49/183308749.db2.gz VDHGOQRVDKMWEQ-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1cocn1)CC2 ZINC000277777597 183308754 /nfs/dbraw/zinc/30/87/54/183308754.db2.gz WNUQYSCXWXZLQY-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cocn1)CC2 ZINC000277777597 183308756 /nfs/dbraw/zinc/30/87/56/183308756.db2.gz WNUQYSCXWXZLQY-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000368187760 169205095 /nfs/dbraw/zinc/20/50/95/169205095.db2.gz IOCTUEAZFVYTAA-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000368187760 169205097 /nfs/dbraw/zinc/20/50/97/169205097.db2.gz IOCTUEAZFVYTAA-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000293876419 169228487 /nfs/dbraw/zinc/22/84/87/169228487.db2.gz FIRQRVOYQGDCRI-VHSXEESVSA-N 1 2 236.319 1.005 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CCCC3)C2)on1 ZINC000268891388 183344755 /nfs/dbraw/zinc/34/47/55/183344755.db2.gz KTFQFMHFHSKEII-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CCCC3)C2)on1 ZINC000268891388 183344756 /nfs/dbraw/zinc/34/47/56/183344756.db2.gz KTFQFMHFHSKEII-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO c1cc(CNc2cc[nH+]c(C3CC3)n2)no1 ZINC000301482570 183357710 /nfs/dbraw/zinc/35/77/10/183357710.db2.gz TXABSLPCNVJZGL-UHFFFAOYSA-N 1 2 216.244 1.954 20 0 BDADLO c1cc(N[C@H]2CCCOC2)nc(C2CC2)[nH+]1 ZINC000264724975 183358712 /nfs/dbraw/zinc/35/87/12/183358712.db2.gz ICGCUMFLMGOFED-JTQLQIEISA-N 1 2 219.288 1.945 20 0 BDADLO c1cc(C[NH+]2CCOCC2)nc2c1CCC2 ZINC000334549862 183371372 /nfs/dbraw/zinc/37/13/72/183371372.db2.gz WQHGGXYXEOYWCP-UHFFFAOYSA-N 1 2 218.300 1.403 20 0 BDADLO c1cc2[nH+]ccc(N3CCCOCC3)c2cn1 ZINC000370356144 183377147 /nfs/dbraw/zinc/37/71/47/183377147.db2.gz XVNCMVPMNWXIPF-UHFFFAOYSA-N 1 2 229.283 1.857 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000357337443 169246722 /nfs/dbraw/zinc/24/67/22/169246722.db2.gz OEYCNYAUZVVMNX-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000357337443 169246723 /nfs/dbraw/zinc/24/67/23/169246723.db2.gz OEYCNYAUZVVMNX-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO c1cc(OCc2nnc3n2CCCC3)cc[nH+]1 ZINC000292426717 183361254 /nfs/dbraw/zinc/36/12/54/183361254.db2.gz LAUGPAIOSDZWJE-UHFFFAOYSA-N 1 2 230.271 1.588 20 0 BDADLO CCCOC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000153416162 169299823 /nfs/dbraw/zinc/29/98/23/169299823.db2.gz ZUYUCPUKQOJWAP-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO CCC[C@@H](C)C[NH2+][C@@H](COC)C(=O)OC ZINC000336773407 169360239 /nfs/dbraw/zinc/36/02/39/169360239.db2.gz YQPJZIYHHBKNOH-ZJUUUORDSA-N 1 2 217.309 1.200 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2ncccn2)[nH]1 ZINC000330120907 183479567 /nfs/dbraw/zinc/47/95/67/183479567.db2.gz JHTGQVJAKQRHNB-JTQLQIEISA-N 1 2 229.287 1.537 20 0 BDADLO CCC[C@@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000195216683 259600159 /nfs/dbraw/zinc/60/01/59/259600159.db2.gz ZVOFLCIAAKDNNZ-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(CC)o1 ZINC000181037772 134333090 /nfs/dbraw/zinc/33/30/90/134333090.db2.gz DYIVAPWJKGLGTR-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(CC)o1 ZINC000181037772 134333091 /nfs/dbraw/zinc/33/30/91/134333091.db2.gz DYIVAPWJKGLGTR-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000184698232 134368166 /nfs/dbraw/zinc/36/81/66/134368166.db2.gz FIZHARYAHWWKLL-UWVGGRQHSA-N 1 2 249.301 1.551 20 0 BDADLO CC[N@H+](CCO)Cc1nc(C(C)C)no1 ZINC000047878756 383836477 /nfs/dbraw/zinc/83/64/77/383836477.db2.gz CVJRGOQRECSBOS-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(C(C)C)no1 ZINC000047878756 383836484 /nfs/dbraw/zinc/83/64/84/383836484.db2.gz CVJRGOQRECSBOS-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO COC[C@H]([NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000087479134 383845647 /nfs/dbraw/zinc/84/56/47/383845647.db2.gz LEHOHZJQAAHDGZ-NSHDSACASA-N 1 2 209.293 1.233 20 0 BDADLO COC(=O)CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000560044163 383862282 /nfs/dbraw/zinc/86/22/82/383862282.db2.gz SMCXZDVBKFQBOK-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO CCCC[C@@H](COC)[NH2+]Cc1ncn(C)n1 ZINC000090969712 383923085 /nfs/dbraw/zinc/92/30/85/383923085.db2.gz VTXMCKDWQVLGJT-JTQLQIEISA-N 1 2 226.324 1.110 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC1(C)CC1 ZINC000292393956 383929362 /nfs/dbraw/zinc/92/93/62/383929362.db2.gz MLHMETFCKMVMJB-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000066864539 383896801 /nfs/dbraw/zinc/89/68/01/383896801.db2.gz FLUDBKMGCIORMJ-LBPRGKRZSA-N 1 2 249.358 1.781 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000066864539 383896806 /nfs/dbraw/zinc/89/68/06/383896806.db2.gz FLUDBKMGCIORMJ-LBPRGKRZSA-N 1 2 249.358 1.781 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)n1C ZINC000336449427 383905631 /nfs/dbraw/zinc/90/56/31/383905631.db2.gz BYRZORFWPAMVHU-DTORHVGOSA-N 1 2 240.376 1.449 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)n1C ZINC000336449427 383905640 /nfs/dbraw/zinc/90/56/40/383905640.db2.gz BYRZORFWPAMVHU-DTORHVGOSA-N 1 2 240.376 1.449 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC=CCC1 ZINC000291137765 383980577 /nfs/dbraw/zinc/98/05/77/383980577.db2.gz WVVFVNNLCPKWLS-SNVBAGLBSA-N 1 2 234.303 1.328 20 0 BDADLO CC(C)[C@H]([NH2+]CCF)c1nncn1C ZINC000308669061 383984242 /nfs/dbraw/zinc/98/42/42/383984242.db2.gz UPDPPTMTOYVSRR-QMMMGPOBSA-N 1 2 200.261 1.071 20 0 BDADLO COC(=O)CC[N@H+](Cc1noc(C)n1)C(C)C ZINC000113507367 383988627 /nfs/dbraw/zinc/98/86/27/383988627.db2.gz QBQLSPNDQMTWTP-UHFFFAOYSA-N 1 2 241.291 1.152 20 0 BDADLO COC(=O)CC[N@@H+](Cc1noc(C)n1)C(C)C ZINC000113507367 383988630 /nfs/dbraw/zinc/98/86/30/383988630.db2.gz QBQLSPNDQMTWTP-UHFFFAOYSA-N 1 2 241.291 1.152 20 0 BDADLO CC[C@H]([NH2+]Cc1c[nH]c(C(=O)OC)c1)C(F)F ZINC000449365016 383997232 /nfs/dbraw/zinc/99/72/32/383997232.db2.gz UVZGSXLISBZKKF-QMMMGPOBSA-N 1 2 246.257 1.935 20 0 BDADLO CO[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000569368670 383958799 /nfs/dbraw/zinc/95/87/99/383958799.db2.gz CIEIWBBZTOLNKM-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO Cc1ccc(C)c(OC[C@H](O)Cn2cc[nH+]c2)c1 ZINC000068045719 383968010 /nfs/dbraw/zinc/96/80/10/383968010.db2.gz WSVAHYYASDUJMG-CYBMUJFWSA-N 1 2 246.310 1.940 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000090008574 384022727 /nfs/dbraw/zinc/02/27/27/384022727.db2.gz ZARUIKVRUIDOAT-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000090008574 384022731 /nfs/dbraw/zinc/02/27/31/384022731.db2.gz ZARUIKVRUIDOAT-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO COC(=O)C[N@H+](C)CCOC1CCCCCC1 ZINC000339832761 384035959 /nfs/dbraw/zinc/03/59/59/384035959.db2.gz GYEXUKVOOZQQOW-UHFFFAOYSA-N 1 2 243.347 1.831 20 0 BDADLO COC(=O)C[N@@H+](C)CCOC1CCCCCC1 ZINC000339832761 384035966 /nfs/dbraw/zinc/03/59/66/384035966.db2.gz GYEXUKVOOZQQOW-UHFFFAOYSA-N 1 2 243.347 1.831 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000076343621 384057214 /nfs/dbraw/zinc/05/72/14/384057214.db2.gz DKRHQQIPBRDCTC-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000076343621 384057223 /nfs/dbraw/zinc/05/72/23/384057223.db2.gz DKRHQQIPBRDCTC-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO Cn1cnc(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000556365783 384070026 /nfs/dbraw/zinc/07/00/26/384070026.db2.gz ISNRQTJPVOAHHY-UHFFFAOYSA-N 1 2 245.286 1.205 20 0 BDADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccsc1 ZINC000090970217 384077574 /nfs/dbraw/zinc/07/75/74/384077574.db2.gz DYLMGDATKZSZSM-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000070261857 384097121 /nfs/dbraw/zinc/09/71/21/384097121.db2.gz QZFMIUSUTYMZAE-LBPRGKRZSA-N 1 2 233.271 1.201 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000050048787 384100650 /nfs/dbraw/zinc/10/06/50/384100650.db2.gz YCLSJPDJUYRWLY-WGAJWPLOSA-N 1 2 203.669 1.376 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC000050048787 384100658 /nfs/dbraw/zinc/10/06/58/384100658.db2.gz YCLSJPDJUYRWLY-WGAJWPLOSA-N 1 2 203.669 1.376 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C(C)C ZINC000090579185 384106961 /nfs/dbraw/zinc/10/69/61/384106961.db2.gz ANGBYTYXRMZKNS-QWRGUYRKSA-N 1 2 245.363 1.977 20 0 BDADLO CCCn1cc(C[NH2+]C(CF)CF)cn1 ZINC000449380754 384094089 /nfs/dbraw/zinc/09/40/89/384094089.db2.gz OUOKKTRTTKANQQ-UHFFFAOYSA-N 1 2 217.263 1.690 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000071115523 384150108 /nfs/dbraw/zinc/15/01/08/384150108.db2.gz ZOMLRTPYCXUFET-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000071115523 384150115 /nfs/dbraw/zinc/15/01/15/384150115.db2.gz ZOMLRTPYCXUFET-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO Cc1cc[nH+]cc1NCc1ccnn1C ZINC000070958354 384142800 /nfs/dbraw/zinc/14/28/00/384142800.db2.gz ZVIOUHTYKRNMCM-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO COC[C@H](O)C[N@H+](C)Cc1c(F)cccc1F ZINC000092256864 384171620 /nfs/dbraw/zinc/17/16/20/384171620.db2.gz IHHBPGKVGZLZNR-SECBINFHSA-N 1 2 245.269 1.404 20 0 BDADLO COC[C@H](O)C[N@@H+](C)Cc1c(F)cccc1F ZINC000092256864 384171625 /nfs/dbraw/zinc/17/16/25/384171625.db2.gz IHHBPGKVGZLZNR-SECBINFHSA-N 1 2 245.269 1.404 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000560506376 384177074 /nfs/dbraw/zinc/17/70/74/384177074.db2.gz WGYNRVPOTRFPCW-HTQZYQBOSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000560506376 384177076 /nfs/dbraw/zinc/17/70/76/384177076.db2.gz WGYNRVPOTRFPCW-HTQZYQBOSA-N 1 2 213.281 1.406 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000080947059 384177395 /nfs/dbraw/zinc/17/73/95/384177395.db2.gz PGVUJFKHYXGLAF-QMMMGPOBSA-N 1 2 239.237 1.966 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC000080947059 384177403 /nfs/dbraw/zinc/17/74/03/384177403.db2.gz PGVUJFKHYXGLAF-QMMMGPOBSA-N 1 2 239.237 1.966 20 0 BDADLO CC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000117873987 384183878 /nfs/dbraw/zinc/18/38/78/384183878.db2.gz KLTRHJBTTNBYEH-LLVKDONJSA-N 1 2 207.273 1.852 20 0 BDADLO CC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000117873987 384183882 /nfs/dbraw/zinc/18/38/82/384183882.db2.gz KLTRHJBTTNBYEH-LLVKDONJSA-N 1 2 207.273 1.852 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336583913 384184371 /nfs/dbraw/zinc/18/43/71/384184371.db2.gz SHSQYNGRHARQMG-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@@H](C)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336583913 384184377 /nfs/dbraw/zinc/18/43/77/384184377.db2.gz SHSQYNGRHARQMG-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO FC1(F)COCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000335993755 384191968 /nfs/dbraw/zinc/19/19/68/384191968.db2.gz VTZQNFHFJXNVKU-SNVBAGLBSA-N 1 2 235.274 1.523 20 0 BDADLO FC1(F)COCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000335993755 384191972 /nfs/dbraw/zinc/19/19/72/384191972.db2.gz VTZQNFHFJXNVKU-SNVBAGLBSA-N 1 2 235.274 1.523 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000093054438 384207881 /nfs/dbraw/zinc/20/78/81/384207881.db2.gz LVSXHEXRNQKSJA-LLVKDONJSA-N 1 2 222.288 1.236 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000093054438 384207888 /nfs/dbraw/zinc/20/78/88/384207888.db2.gz LVSXHEXRNQKSJA-LLVKDONJSA-N 1 2 222.288 1.236 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC1=CCCC1 ZINC000292635150 384232735 /nfs/dbraw/zinc/23/27/35/384232735.db2.gz VOBYGQOACOZDSQ-UHFFFAOYSA-N 1 2 248.330 1.720 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCc2ccsc2C1 ZINC000132607947 384237946 /nfs/dbraw/zinc/23/79/46/384237946.db2.gz VCTDMSWCBNDAPJ-SECBINFHSA-N 1 2 223.297 1.422 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCc2ccsc2C1 ZINC000132607947 384237949 /nfs/dbraw/zinc/23/79/49/384237949.db2.gz VCTDMSWCBNDAPJ-SECBINFHSA-N 1 2 223.297 1.422 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000092695955 384239593 /nfs/dbraw/zinc/23/95/93/384239593.db2.gz IUWZBQBDLVASDA-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000092695955 384239596 /nfs/dbraw/zinc/23/95/96/384239596.db2.gz IUWZBQBDLVASDA-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO CC(C)(C(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000336604437 384219420 /nfs/dbraw/zinc/21/94/20/384219420.db2.gz HSJJPZGQGKYYLX-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO Cc1cc(C)c(CNC(=O)N2CCOCC2)c[nH+]1 ZINC000334680644 384221151 /nfs/dbraw/zinc/22/11/51/384221151.db2.gz HUBDDZOWVMMGJK-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO CC[C@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000644157568 384229119 /nfs/dbraw/zinc/22/91/19/384229119.db2.gz QDWDHVMGNRRJAP-JTQLQIEISA-N 1 2 229.287 1.651 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C1CC1 ZINC000558691842 384247892 /nfs/dbraw/zinc/24/78/92/384247892.db2.gz UHBALIYTSMRFIA-SECBINFHSA-N 1 2 221.304 1.518 20 0 BDADLO Cc1c[nH+]c(CCSc2nnnn2C)c(C)c1 ZINC000647114369 384248523 /nfs/dbraw/zinc/24/85/23/384248523.db2.gz OSQRCCZKVNIQMA-UHFFFAOYSA-N 1 2 249.343 1.557 20 0 BDADLO CC[C@@](C)(C[NH2+]CC(F)(F)CO)OC ZINC000319485474 384250705 /nfs/dbraw/zinc/25/07/05/384250705.db2.gz TYYOIHWDLNIGMJ-QMMMGPOBSA-N 1 2 211.252 1.019 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nccs1 ZINC000093582383 384252403 /nfs/dbraw/zinc/25/24/03/384252403.db2.gz HJSHQKWCXKTSBR-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nccs1 ZINC000093582383 384252410 /nfs/dbraw/zinc/25/24/10/384252410.db2.gz HJSHQKWCXKTSBR-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)Cc1occc1C ZINC000093643502 384252909 /nfs/dbraw/zinc/25/29/09/384252909.db2.gz TUKHCPOAPJWODT-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)Cc1occc1C ZINC000093643502 384252919 /nfs/dbraw/zinc/25/29/19/384252919.db2.gz TUKHCPOAPJWODT-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)s1 ZINC000093645300 384253892 /nfs/dbraw/zinc/25/38/92/384253892.db2.gz MFYCBGZKZVIHAG-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@H]2C2CC2)s1 ZINC000093645300 384253897 /nfs/dbraw/zinc/25/38/97/384253897.db2.gz MFYCBGZKZVIHAG-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO c1ncc(C[N@@H+]2CCOC3(CCC3)C2)s1 ZINC000093640024 384255096 /nfs/dbraw/zinc/25/50/96/384255096.db2.gz GSSRSPQRMOKDLN-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO c1ncc(C[N@H+]2CCOC3(CCC3)C2)s1 ZINC000093640024 384255097 /nfs/dbraw/zinc/25/50/97/384255097.db2.gz GSSRSPQRMOKDLN-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO COC1C[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000560608769 384258778 /nfs/dbraw/zinc/25/87/78/384258778.db2.gz WALLBIXAXNMFSB-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO COC1C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000560608769 384258784 /nfs/dbraw/zinc/25/87/84/384258784.db2.gz WALLBIXAXNMFSB-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000560623670 384262567 /nfs/dbraw/zinc/26/25/67/384262567.db2.gz SRSINPNMACCFHH-DGCLKSJQSA-N 1 2 247.342 1.681 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)c1[nH]cc[nH+]1 ZINC000560699785 384304681 /nfs/dbraw/zinc/30/46/81/384304681.db2.gz HZZRGWMIZHVHDW-ZYUZMQFOSA-N 1 2 237.303 1.400 20 0 BDADLO O=C(c1ccccn1)N1CC[NH+](C2CC2)CC1 ZINC000074884318 384309177 /nfs/dbraw/zinc/30/91/77/384309177.db2.gz RPTHQYJYILQRHC-UHFFFAOYSA-N 1 2 231.299 1.002 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCOC2(CCC2)C1 ZINC000179592199 384310242 /nfs/dbraw/zinc/31/02/42/384310242.db2.gz RTMRYCVMTBCFJZ-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCOC2(CCC2)C1 ZINC000179592199 384310247 /nfs/dbraw/zinc/31/02/47/384310247.db2.gz RTMRYCVMTBCFJZ-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C1CCC1 ZINC000173917497 384286661 /nfs/dbraw/zinc/28/66/61/384286661.db2.gz OVPVWOLOECYJKY-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C1CCC1 ZINC000173917497 384286670 /nfs/dbraw/zinc/28/66/70/384286670.db2.gz OVPVWOLOECYJKY-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO Cc1ccnc(N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000043561655 384286947 /nfs/dbraw/zinc/28/69/47/384286947.db2.gz VSPNEEXCKMQEIJ-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2c[nH]nc2C)[nH+]1 ZINC000569584321 384290241 /nfs/dbraw/zinc/29/02/41/384290241.db2.gz PZGBYNKZWPWMIT-UHFFFAOYSA-N 1 2 247.302 1.415 20 0 BDADLO C[C@@H](CO)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000158990509 384295863 /nfs/dbraw/zinc/29/58/63/384295863.db2.gz PSCYATFADWSVSF-ZETCQYMHSA-N 1 2 234.221 1.917 20 0 BDADLO C[C@H]1C[N@H+](CCNc2ncccc2F)CCO1 ZINC000530992750 384302664 /nfs/dbraw/zinc/30/26/64/384302664.db2.gz DUKMQQIMLVLMTD-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO C[C@H]1C[N@@H+](CCNc2ncccc2F)CCO1 ZINC000530992750 384302671 /nfs/dbraw/zinc/30/26/71/384302671.db2.gz DUKMQQIMLVLMTD-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc(C)o2)C[C@H](C)O1 ZINC000075721673 384337120 /nfs/dbraw/zinc/33/71/20/384337120.db2.gz XYLMCJBSNJOYOR-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H](C)O1 ZINC000075721673 384337127 /nfs/dbraw/zinc/33/71/27/384337127.db2.gz XYLMCJBSNJOYOR-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)NC(C)C)o1 ZINC000120260943 384339999 /nfs/dbraw/zinc/33/99/99/384339999.db2.gz HOHOKGUHGBHBEX-UHFFFAOYSA-N 1 2 238.331 1.798 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)NC(C)C)o1 ZINC000120260943 384340008 /nfs/dbraw/zinc/34/00/08/384340008.db2.gz HOHOKGUHGBHBEX-UHFFFAOYSA-N 1 2 238.331 1.798 20 0 BDADLO CC[C@@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000642704011 384349127 /nfs/dbraw/zinc/34/91/27/384349127.db2.gz LXXUYXSRJZEXLB-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000642704011 384349135 /nfs/dbraw/zinc/34/91/35/384349135.db2.gz LXXUYXSRJZEXLB-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO Cc1cc(=O)c(C(=O)Nc2cc[nH+]cc2C)c[nH]1 ZINC000174696435 384350960 /nfs/dbraw/zinc/35/09/60/384350960.db2.gz PAXOVEKDZSLGGT-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H](O)C1CCC1 ZINC000556410136 384361927 /nfs/dbraw/zinc/36/19/27/384361927.db2.gz VBAXZZPMQYITJD-GFCCVEGCSA-N 1 2 249.314 1.319 20 0 BDADLO Cc1cccc(CN(C)c2nc(C)[nH+]c(N)n2)n1 ZINC000302581251 384362227 /nfs/dbraw/zinc/36/22/27/384362227.db2.gz CWNUNOKRVTWOGE-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BDADLO Cc1cccc(CN(C)c2nc(N)nc(C)[nH+]2)n1 ZINC000302581251 384362231 /nfs/dbraw/zinc/36/22/31/384362231.db2.gz CWNUNOKRVTWOGE-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BDADLO CC[C@@H](C)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304533016 384370475 /nfs/dbraw/zinc/37/04/75/384370475.db2.gz UOUNCNCUSMEXRY-SFYZADRCSA-N 1 2 223.324 1.999 20 0 BDADLO CC[C@@H](C)C[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304533016 384370479 /nfs/dbraw/zinc/37/04/79/384370479.db2.gz UOUNCNCUSMEXRY-SFYZADRCSA-N 1 2 223.324 1.999 20 0 BDADLO CCC[C@@]1([NH2+]CC(=O)OC(C)(C)C)CCOC1 ZINC000352818295 384324162 /nfs/dbraw/zinc/32/41/62/384324162.db2.gz UILNIVRPOUSIKO-CYBMUJFWSA-N 1 2 243.347 1.877 20 0 BDADLO CC[N@H+](Cc1ccnn1C(C)C)C1COC1 ZINC000449424989 384324595 /nfs/dbraw/zinc/32/45/95/384324595.db2.gz LNMBJPXAVKZEQX-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO CC[N@@H+](Cc1ccnn1C(C)C)C1COC1 ZINC000449424989 384324599 /nfs/dbraw/zinc/32/45/99/384324599.db2.gz LNMBJPXAVKZEQX-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1cscn1 ZINC000063592684 384324714 /nfs/dbraw/zinc/32/47/14/384324714.db2.gz ZHALILYOEFUEJK-UHFFFAOYSA-N 1 2 222.317 1.472 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1cscn1 ZINC000063592684 384324717 /nfs/dbraw/zinc/32/47/17/384324717.db2.gz ZHALILYOEFUEJK-UHFFFAOYSA-N 1 2 222.317 1.472 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N)n2)o1 ZINC000304538870 384373134 /nfs/dbraw/zinc/37/31/34/384373134.db2.gz VOCNDIMFINYHOX-UHFFFAOYSA-N 1 2 219.248 1.276 20 0 BDADLO Cc1ccc(CNc2nc(N)nc(C)[nH+]2)o1 ZINC000304538870 384373138 /nfs/dbraw/zinc/37/31/38/384373138.db2.gz VOCNDIMFINYHOX-UHFFFAOYSA-N 1 2 219.248 1.276 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)C2CC2)n1 ZINC000175095638 384392330 /nfs/dbraw/zinc/39/23/30/384392330.db2.gz QXWVMQWNUGEFAP-SSDOTTSWSA-N 1 2 211.265 1.371 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)C2CC2)n1 ZINC000175095638 384392337 /nfs/dbraw/zinc/39/23/37/384392337.db2.gz QXWVMQWNUGEFAP-SSDOTTSWSA-N 1 2 211.265 1.371 20 0 BDADLO c1coc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000121025341 384394826 /nfs/dbraw/zinc/39/48/26/384394826.db2.gz JOAMDVDBLXXISY-UHFFFAOYSA-N 1 2 206.289 1.560 20 0 BDADLO Cc1cnc(NCCc2cn(C)c[nH+]2)nc1 ZINC000313489560 384418598 /nfs/dbraw/zinc/41/85/98/384418598.db2.gz WWJYZQSOSIDRLZ-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1CC(F)(F)C1 ZINC000560957500 384422876 /nfs/dbraw/zinc/42/28/76/384422876.db2.gz WGLHIMULRNTSMH-UHFFFAOYSA-N 1 2 243.257 1.124 20 0 BDADLO Cc1ccc(NCc2cnn(C)c2)c[nH+]1 ZINC000096033328 384423943 /nfs/dbraw/zinc/42/39/43/384423943.db2.gz NAWBQJWUBIQOTJ-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO C[N@H+](Cc1nc2ccccc2o1)[C@@H]1COC[C@H]1O ZINC000361325731 384383859 /nfs/dbraw/zinc/38/38/59/384383859.db2.gz UXLZMMUMYXWOST-GHMZBOCLSA-N 1 2 248.282 1.019 20 0 BDADLO C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1COC[C@H]1O ZINC000361325731 384383861 /nfs/dbraw/zinc/38/38/61/384383861.db2.gz UXLZMMUMYXWOST-GHMZBOCLSA-N 1 2 248.282 1.019 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CCC1(C)C ZINC000517220616 384448176 /nfs/dbraw/zinc/44/81/76/384448176.db2.gz IDCHCANUPWZXOG-UHFFFAOYSA-N 1 2 249.314 1.784 20 0 BDADLO CCO[C@@H]1C[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000357941359 384453723 /nfs/dbraw/zinc/45/37/23/384453723.db2.gz YPCSSKBDBLVGAH-NXEZZACHSA-N 1 2 248.286 1.286 20 0 BDADLO C[C@@H](NC(=O)CCc1ccncc1)c1[nH]cc[nH+]1 ZINC000140791681 384456472 /nfs/dbraw/zinc/45/64/72/384456472.db2.gz KYHOEERPKQHUID-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2OCC[C@@H]2C(C)C)n1 ZINC000647173161 384431442 /nfs/dbraw/zinc/43/14/42/384431442.db2.gz WWJADMPZKTXXSG-PSASIEDQSA-N 1 2 225.292 1.523 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000121695884 384433867 /nfs/dbraw/zinc/43/38/67/384433867.db2.gz GNSWIHLMUXUULZ-QWRGUYRKSA-N 1 2 249.314 1.937 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@H]2CCC[C@H]21)C(F)(F)F ZINC000082680285 384441404 /nfs/dbraw/zinc/44/14/04/384441404.db2.gz PMNDGURJNCLNSV-VGMNWLOBSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@H]2CCC[C@H]21)C(F)(F)F ZINC000082680285 384441407 /nfs/dbraw/zinc/44/14/07/384441407.db2.gz PMNDGURJNCLNSV-VGMNWLOBSA-N 1 2 239.237 1.163 20 0 BDADLO CCOC(=O)CSCCn1cc[nH+]c1 ZINC000121828568 384441841 /nfs/dbraw/zinc/44/18/41/384441841.db2.gz XBKDJAXPCMXNPP-UHFFFAOYSA-N 1 2 214.290 1.179 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000564702803 384457320 /nfs/dbraw/zinc/45/73/20/384457320.db2.gz ABJQZFKGQQTWTG-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000564702803 384457325 /nfs/dbraw/zinc/45/73/25/384457325.db2.gz ABJQZFKGQQTWTG-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000556720464 384462915 /nfs/dbraw/zinc/46/29/15/384462915.db2.gz JYAOVLMBGHEBBW-GNXNZQSNSA-N 1 2 247.342 1.515 20 0 BDADLO Cc1cnn(CCSc2nc(N)cc(C)[nH+]2)c1 ZINC000306027834 384477453 /nfs/dbraw/zinc/47/74/53/384477453.db2.gz KRPWRTROQCDVJH-UHFFFAOYSA-N 1 2 249.343 1.664 20 0 BDADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000047597579 384459162 /nfs/dbraw/zinc/45/91/62/384459162.db2.gz OZXFULYUMXBUJP-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H]1F ZINC000568215408 384511668 /nfs/dbraw/zinc/51/16/68/384511668.db2.gz USUUCKCHJXWBJG-GDPRMGEGSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@H]1F ZINC000568215408 384511676 /nfs/dbraw/zinc/51/16/76/384511676.db2.gz USUUCKCHJXWBJG-GDPRMGEGSA-N 1 2 239.294 1.595 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C2CC2)n1 ZINC000170484433 384512090 /nfs/dbraw/zinc/51/20/90/384512090.db2.gz JHLNJQPIMJQEFD-UHFFFAOYSA-N 1 2 225.317 1.553 20 0 BDADLO COc1cc(C[NH2+]CC(F)F)cc2c1OCO2 ZINC000159910214 384534195 /nfs/dbraw/zinc/53/41/95/384534195.db2.gz MFPFNHNFCAUSEV-UHFFFAOYSA-N 1 2 245.225 1.779 20 0 BDADLO COC[C@@H](NCc1[nH]cc[nH+]1)c1ccc(C)o1 ZINC000080237569 384536354 /nfs/dbraw/zinc/53/63/54/384536354.db2.gz DKKGHCYODMUASR-SNVBAGLBSA-N 1 2 235.287 1.788 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccco1 ZINC000080239908 384540402 /nfs/dbraw/zinc/54/04/02/384540402.db2.gz UPIMBXXCVFCNFP-LLVKDONJSA-N 1 2 235.287 1.490 20 0 BDADLO CCCCCNC(=O)COCc1[nH]cc[nH+]1 ZINC000123711210 384580524 /nfs/dbraw/zinc/58/05/24/384580524.db2.gz TZZYAPVLJUKKRW-UHFFFAOYSA-N 1 2 225.292 1.233 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2cc(CO)cc[nH+]2)C1 ZINC000158120798 384609023 /nfs/dbraw/zinc/60/90/23/384609023.db2.gz ODUMWZBELBTLNJ-ZJUUUORDSA-N 1 2 206.289 1.809 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccncc1F ZINC000309791607 384612691 /nfs/dbraw/zinc/61/26/91/384612691.db2.gz PHUHEDNMWIUZND-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000561270104 384613051 /nfs/dbraw/zinc/61/30/51/384613051.db2.gz OVNBYXHGTBZXNH-TUAOUCFPSA-N 1 2 247.342 1.560 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1c1[nH+]cnc2c1cnn2C ZINC000172765927 384627291 /nfs/dbraw/zinc/62/72/91/384627291.db2.gz ANOZVSHGSRORPD-VHSXEESVSA-N 1 2 245.330 1.988 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CC[C@@H](CO)C1 ZINC000517960231 384591717 /nfs/dbraw/zinc/59/17/17/384591717.db2.gz FXOUTUNRONEZRV-MNOVXSKESA-N 1 2 221.304 1.666 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000308316845 384632284 /nfs/dbraw/zinc/63/22/84/384632284.db2.gz XKRGLADFEMOQEG-ZETCQYMHSA-N 1 2 211.277 1.051 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000308316845 384632292 /nfs/dbraw/zinc/63/22/92/384632292.db2.gz XKRGLADFEMOQEG-ZETCQYMHSA-N 1 2 211.277 1.051 20 0 BDADLO NC(=O)C1([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000183833001 384601461 /nfs/dbraw/zinc/60/14/61/384601461.db2.gz CZDSQLPIDGLOOS-UHFFFAOYSA-N 1 2 226.226 1.072 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000045598225 384666442 /nfs/dbraw/zinc/66/64/42/384666442.db2.gz IXBGQZHXODKTED-VHSXEESVSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000045598225 384666447 /nfs/dbraw/zinc/66/64/47/384666447.db2.gz IXBGQZHXODKTED-VHSXEESVSA-N 1 2 229.320 1.437 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1CCOc1ccccc1 ZINC000104073193 384659545 /nfs/dbraw/zinc/65/95/45/384659545.db2.gz VPTKLLOXWBTZEY-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1CCOc1ccccc1 ZINC000104073193 384659559 /nfs/dbraw/zinc/65/95/59/384659559.db2.gz VPTKLLOXWBTZEY-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO CCC(CC)n1ccc(C[N@H+](C)CCO)n1 ZINC000082877184 384723354 /nfs/dbraw/zinc/72/33/54/384723354.db2.gz DCRSESBBJCHNDR-UHFFFAOYSA-N 1 2 225.336 1.668 20 0 BDADLO CCC(CC)n1ccc(C[N@@H+](C)CCO)n1 ZINC000082877184 384723358 /nfs/dbraw/zinc/72/33/58/384723358.db2.gz DCRSESBBJCHNDR-UHFFFAOYSA-N 1 2 225.336 1.668 20 0 BDADLO Cn1cc[nH+]c1CN[C@@H]1COc2cccc(F)c21 ZINC000363674513 384678719 /nfs/dbraw/zinc/67/87/19/384678719.db2.gz RPMQSPPDEFYFJR-SNVBAGLBSA-N 1 2 247.273 1.783 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000556957263 384683098 /nfs/dbraw/zinc/68/30/98/384683098.db2.gz KFJRTJISMABIEV-ZWNOBZJWSA-N 1 2 236.290 1.431 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000556957263 384683107 /nfs/dbraw/zinc/68/31/07/384683107.db2.gz KFJRTJISMABIEV-ZWNOBZJWSA-N 1 2 236.290 1.431 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000173500446 384683538 /nfs/dbraw/zinc/68/35/38/384683538.db2.gz JYQDZIJTOKHOHX-UHFFFAOYSA-N 1 2 236.315 1.357 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000173500446 384683545 /nfs/dbraw/zinc/68/35/45/384683545.db2.gz JYQDZIJTOKHOHX-UHFFFAOYSA-N 1 2 236.315 1.357 20 0 BDADLO C[C@]1(O)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000162826812 384694031 /nfs/dbraw/zinc/69/40/31/384694031.db2.gz RQUFSVWRWAENPZ-ZDUSSCGKSA-N 1 2 233.315 1.705 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000126043484 384727508 /nfs/dbraw/zinc/72/75/08/384727508.db2.gz JBNWGAYAUGJYPN-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000126043484 384727515 /nfs/dbraw/zinc/72/75/15/384727515.db2.gz JBNWGAYAUGJYPN-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccon2)C1=O ZINC000643680291 384716722 /nfs/dbraw/zinc/71/67/22/384716722.db2.gz JJVJKNIEJSWODE-SNVBAGLBSA-N 1 2 237.303 1.164 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000082791945 384718493 /nfs/dbraw/zinc/71/84/93/384718493.db2.gz MEAQHQHRBVXTFE-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2cccc(C)c2C1 ZINC000082791945 384718501 /nfs/dbraw/zinc/71/85/01/384718501.db2.gz MEAQHQHRBVXTFE-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc[nH]2)CCS1 ZINC000173929474 384735302 /nfs/dbraw/zinc/73/53/02/384735302.db2.gz GXIODAQTNQFGRB-VIFPVBQESA-N 1 2 211.334 1.737 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc[nH]2)CCS1 ZINC000173929474 384735309 /nfs/dbraw/zinc/73/53/09/384735309.db2.gz GXIODAQTNQFGRB-VIFPVBQESA-N 1 2 211.334 1.737 20 0 BDADLO CCc1cc(N)nc(SCC2OCCO2)[nH+]1 ZINC000279022585 384748527 /nfs/dbraw/zinc/74/85/27/384748527.db2.gz CDBNTBFBLCQUOM-UHFFFAOYSA-N 1 2 241.316 1.086 20 0 BDADLO C[N@H+](CCCS(C)(=O)=O)Cc1ccco1 ZINC000103138889 384751813 /nfs/dbraw/zinc/75/18/13/384751813.db2.gz VMTVXZJPEOXXPU-UHFFFAOYSA-N 1 2 231.317 1.146 20 0 BDADLO C[N@@H+](CCCS(C)(=O)=O)Cc1ccco1 ZINC000103138889 384751818 /nfs/dbraw/zinc/75/18/18/384751818.db2.gz VMTVXZJPEOXXPU-UHFFFAOYSA-N 1 2 231.317 1.146 20 0 BDADLO CCC(CC)[C@H](C(=O)OC)[NH+]1CCOCC1 ZINC000176744420 384756583 /nfs/dbraw/zinc/75/65/83/384756583.db2.gz UOGCRXOYHHDNIB-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335411094 384819248 /nfs/dbraw/zinc/81/92/48/384819248.db2.gz XOFTXMBGUOAQDG-KOLCDFICSA-N 1 2 244.360 1.508 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335411094 384819255 /nfs/dbraw/zinc/81/92/55/384819255.db2.gz XOFTXMBGUOAQDG-KOLCDFICSA-N 1 2 244.360 1.508 20 0 BDADLO Cn1nnc(C[NH2+][C@H](c2cccs2)C2CC2)n1 ZINC000398172330 384826603 /nfs/dbraw/zinc/82/66/03/384826603.db2.gz LQAJLSKSRPMYHE-NSHDSACASA-N 1 2 249.343 1.513 20 0 BDADLO CCc1cccnc1NC(=O)Cc1c[nH+]cn1C ZINC000568311642 384794792 /nfs/dbraw/zinc/79/47/92/384794792.db2.gz AONJXJMVUGNECZ-UHFFFAOYSA-N 1 2 244.298 1.559 20 0 BDADLO CO[C@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000234763110 384806346 /nfs/dbraw/zinc/80/63/46/384806346.db2.gz OAXIVVNDIYDWPD-RXMQYKEDSA-N 1 2 216.672 1.159 20 0 BDADLO CO[C@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000234763110 384806351 /nfs/dbraw/zinc/80/63/51/384806351.db2.gz OAXIVVNDIYDWPD-RXMQYKEDSA-N 1 2 216.672 1.159 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC=CCC1 ZINC000517757813 384870159 /nfs/dbraw/zinc/87/01/59/384870159.db2.gz WGQVXYLGKNATSL-MRVPVSSYSA-N 1 2 220.276 1.588 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC=CCC1 ZINC000517757813 384870164 /nfs/dbraw/zinc/87/01/64/384870164.db2.gz WGQVXYLGKNATSL-MRVPVSSYSA-N 1 2 220.276 1.588 20 0 BDADLO CSC[C@@H](CCO)Nc1cc(C)[nH+]cn1 ZINC000301360088 384870381 /nfs/dbraw/zinc/87/03/81/384870381.db2.gz OMRQLMUCAIXNJD-SECBINFHSA-N 1 2 227.333 1.311 20 0 BDADLO CC[C@@H](F)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000308626293 384876821 /nfs/dbraw/zinc/87/68/21/384876821.db2.gz WOYRWEWOZPWPIG-POYBYMJQSA-N 1 2 201.245 1.777 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000335449983 384843439 /nfs/dbraw/zinc/84/34/39/384843439.db2.gz FKVWVTHLHQJKNM-DDFAGTSDSA-N 1 2 233.315 1.473 20 0 BDADLO Cc1csc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000336239687 384845236 /nfs/dbraw/zinc/84/52/36/384845236.db2.gz HNWPODFPMIVINS-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO Cc1csc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000336239687 384845245 /nfs/dbraw/zinc/84/52/45/384845245.db2.gz HNWPODFPMIVINS-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCOC1)C(=O)OCC ZINC000147644425 384846776 /nfs/dbraw/zinc/84/67/76/384846776.db2.gz WYCKLWDHMCACHJ-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncccc1F ZINC000054700791 384848717 /nfs/dbraw/zinc/84/87/17/384848717.db2.gz SIBXGZGSAJGUFD-VIFPVBQESA-N 1 2 220.251 1.918 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OCC1CC1 ZINC000497193184 384851874 /nfs/dbraw/zinc/85/18/74/384851874.db2.gz KCWXBBJNMDGGDQ-UHFFFAOYSA-N 1 2 209.249 1.056 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)CSC)C(=O)OC ZINC000127286762 384856237 /nfs/dbraw/zinc/85/62/37/384856237.db2.gz IYBUZGQRDVVUDI-JGVFFNPUSA-N 1 2 205.323 1.279 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)OC1CCC1 ZINC000497201257 384862362 /nfs/dbraw/zinc/86/23/62/384862362.db2.gz GMPLCSQEQSBWSR-UHFFFAOYSA-N 1 2 223.276 1.541 20 0 BDADLO CC(C)C1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000647292632 384867885 /nfs/dbraw/zinc/86/78/85/384867885.db2.gz HLUUDWMABWYODS-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO c1nc(N2CCCC2)cc(NC[C@@H]2CCCO2)[nH+]1 ZINC000243544550 384889527 /nfs/dbraw/zinc/88/95/27/384889527.db2.gz OGRSWCWXDMUFFE-NSHDSACASA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(NC[C@@H]2CCCO2)cc(N2CCCC2)[nH+]1 ZINC000243544550 384889535 /nfs/dbraw/zinc/88/95/35/384889535.db2.gz OGRSWCWXDMUFFE-NSHDSACASA-N 1 2 248.330 1.668 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]cn1)C(C)(C)O ZINC000338787070 384953317 /nfs/dbraw/zinc/95/33/17/384953317.db2.gz FCIWJNUZEFJUGW-VIFPVBQESA-N 1 2 209.293 1.746 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@]3(CCOC3)C2)s1 ZINC000187547024 384957977 /nfs/dbraw/zinc/95/79/77/384957977.db2.gz WUFGHIBADRSDSI-LLVKDONJSA-N 1 2 240.328 1.134 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@]3(CCOC3)C2)s1 ZINC000187547024 384957984 /nfs/dbraw/zinc/95/79/84/384957984.db2.gz WUFGHIBADRSDSI-LLVKDONJSA-N 1 2 240.328 1.134 20 0 BDADLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@@H](F)C1 ZINC000336263175 384891135 /nfs/dbraw/zinc/89/11/35/384891135.db2.gz VWMWUWQEMOFKKJ-YPMHNXCESA-N 1 2 248.301 1.984 20 0 BDADLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CC[C@@H](F)C1 ZINC000336263175 384891141 /nfs/dbraw/zinc/89/11/41/384891141.db2.gz VWMWUWQEMOFKKJ-YPMHNXCESA-N 1 2 248.301 1.984 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)NCc1c[nH+]cn1C ZINC000291769586 384891424 /nfs/dbraw/zinc/89/14/24/384891424.db2.gz FHVZCVWBVBOPAV-SNVBAGLBSA-N 1 2 238.335 1.608 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccno1)CC2 ZINC000374694311 384912470 /nfs/dbraw/zinc/91/24/70/384912470.db2.gz ABMARWQINHSRNZ-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COCC(F)(F)F ZINC000107285183 384959042 /nfs/dbraw/zinc/95/90/42/384959042.db2.gz KIOUDEGMKGVABJ-UHFFFAOYSA-N 1 2 248.204 1.907 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000187309739 384932670 /nfs/dbraw/zinc/93/26/70/384932670.db2.gz MFAKGJZBJWYXJW-CQSZACIVSA-N 1 2 247.342 1.572 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000187309739 384932676 /nfs/dbraw/zinc/93/26/76/384932676.db2.gz MFAKGJZBJWYXJW-CQSZACIVSA-N 1 2 247.342 1.572 20 0 BDADLO Nc1nc(NCC(F)F)[nH+]c2ccccc12 ZINC000301892335 384939863 /nfs/dbraw/zinc/93/98/63/384939863.db2.gz MITASIQECDGMFS-UHFFFAOYSA-N 1 2 224.214 1.889 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936596 384943975 /nfs/dbraw/zinc/94/39/75/384943975.db2.gz UERZDCZTHMDQMR-QMMMGPOBSA-N 1 2 242.344 1.926 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936596 384943980 /nfs/dbraw/zinc/94/39/80/384943980.db2.gz UERZDCZTHMDQMR-QMMMGPOBSA-N 1 2 242.344 1.926 20 0 BDADLO CCc1cc(N)nc(SCc2ccon2)[nH+]1 ZINC000279142466 384968303 /nfs/dbraw/zinc/96/83/03/384968303.db2.gz YLMKDNQBNMIUPO-UHFFFAOYSA-N 1 2 236.300 1.902 20 0 BDADLO Cc1csc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000334719115 384973060 /nfs/dbraw/zinc/97/30/60/384973060.db2.gz GXOHUORXMKHFFY-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO CC(C)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000086166490 384993941 /nfs/dbraw/zinc/99/39/41/384993941.db2.gz SJROJEZEETXTHL-SNVBAGLBSA-N 1 2 224.308 1.321 20 0 BDADLO CO[C@@]1(CNc2cc[nH+]c(C)n2)CCOC1 ZINC000156881415 385004905 /nfs/dbraw/zinc/00/49/05/385004905.db2.gz OGNOSLGNBMDNKL-LLVKDONJSA-N 1 2 223.276 1.002 20 0 BDADLO C[C@@H](C[NH2+][C@@H]1CCCC1(F)F)S(C)(=O)=O ZINC000644647823 385052694 /nfs/dbraw/zinc/05/26/94/385052694.db2.gz OGRHSQDUCTYNTK-JGVFFNPUSA-N 1 2 241.303 1.197 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1(O)CCCC1 ZINC000108644346 385056025 /nfs/dbraw/zinc/05/60/25/385056025.db2.gz MOCRTSHCPIMINS-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCCCOC ZINC000569354133 385063069 /nfs/dbraw/zinc/06/30/69/385063069.db2.gz CTNFVLNBSYNORB-UHFFFAOYSA-N 1 2 239.319 1.336 20 0 BDADLO COC(C)(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176385524 385077389 /nfs/dbraw/zinc/07/73/89/385077389.db2.gz BEKPXRSECHFJRX-JTQLQIEISA-N 1 2 239.319 1.060 20 0 BDADLO Cc1noc(CCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000407947563 385077521 /nfs/dbraw/zinc/07/75/21/385077521.db2.gz BVXVEOQHBRZSSI-VIFPVBQESA-N 1 2 225.292 1.031 20 0 BDADLO Cc1noc(CCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000407947563 385077528 /nfs/dbraw/zinc/07/75/28/385077528.db2.gz BVXVEOQHBRZSSI-VIFPVBQESA-N 1 2 225.292 1.031 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](CO)C2)no1 ZINC000051887149 385031932 /nfs/dbraw/zinc/03/19/32/385031932.db2.gz ZQHQGRFDNFIJIY-SECBINFHSA-N 1 2 225.292 1.007 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](CO)C2)no1 ZINC000051887149 385031942 /nfs/dbraw/zinc/03/19/42/385031942.db2.gz ZQHQGRFDNFIJIY-SECBINFHSA-N 1 2 225.292 1.007 20 0 BDADLO CO[C@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000189118276 385128147 /nfs/dbraw/zinc/12/81/47/385128147.db2.gz WWJKZMHKLSSHDV-SECBINFHSA-N 1 2 233.271 1.099 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC000061707987 385135256 /nfs/dbraw/zinc/13/52/56/385135256.db2.gz KPCUDVHZKRIPNF-VIFPVBQESA-N 1 2 224.304 1.539 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC000061707987 385135265 /nfs/dbraw/zinc/13/52/65/385135265.db2.gz KPCUDVHZKRIPNF-VIFPVBQESA-N 1 2 224.304 1.539 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000407955385 385138547 /nfs/dbraw/zinc/13/85/47/385138547.db2.gz RDJHHNFKLSBFKL-WCBMZHEXSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000407955385 385138554 /nfs/dbraw/zinc/13/85/54/385138554.db2.gz RDJHHNFKLSBFKL-WCBMZHEXSA-N 1 2 235.335 1.268 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000336346259 385138785 /nfs/dbraw/zinc/13/87/85/385138785.db2.gz VCQFITVYJPNBKG-BDAKNGLRSA-N 1 2 240.282 1.110 20 0 BDADLO CCONC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000367422688 385089603 /nfs/dbraw/zinc/08/96/03/385089603.db2.gz ILPAZXKTDOVPJZ-GHMZBOCLSA-N 1 2 249.314 1.222 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC3(CC3)C2)oc1C ZINC000336332396 385094655 /nfs/dbraw/zinc/09/46/55/385094655.db2.gz YLVZHIXUZOGRLH-UHFFFAOYSA-N 1 2 236.315 1.904 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC3(CC3)C2)oc1C ZINC000336332396 385094658 /nfs/dbraw/zinc/09/46/58/385094658.db2.gz YLVZHIXUZOGRLH-UHFFFAOYSA-N 1 2 236.315 1.904 20 0 BDADLO COC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000559639740 385097807 /nfs/dbraw/zinc/09/78/07/385097807.db2.gz OKETZDMEGDCXBL-UHFFFAOYSA-N 1 2 232.283 1.344 20 0 BDADLO COC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000559639740 385097815 /nfs/dbraw/zinc/09/78/15/385097815.db2.gz OKETZDMEGDCXBL-UHFFFAOYSA-N 1 2 232.283 1.344 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000559639631 385098063 /nfs/dbraw/zinc/09/80/63/385098063.db2.gz MJRZVQHQAVSCIK-NSHDSACASA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000559639631 385098067 /nfs/dbraw/zinc/09/80/67/385098067.db2.gz MJRZVQHQAVSCIK-NSHDSACASA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000107395061 385195172 /nfs/dbraw/zinc/19/51/72/385195172.db2.gz UQQNIRRKYROBIJ-JTQLQIEISA-N 1 2 220.272 1.471 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cscn1 ZINC000113349565 385149114 /nfs/dbraw/zinc/14/91/14/385149114.db2.gz KDBRHDWKZLOIMM-MRVPVSSYSA-N 1 2 248.373 1.056 20 0 BDADLO C[C@H](CNC(=O)C1[C@@H]2CCC[C@H]12)Cn1cc[nH+]c1 ZINC000176829728 385151673 /nfs/dbraw/zinc/15/16/73/385151673.db2.gz TXRVXEJXJHVDPG-FKJOKYEKSA-N 1 2 247.342 1.682 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000188527338 385155671 /nfs/dbraw/zinc/15/56/71/385155671.db2.gz ODOHBRMPGDDHFG-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000188527338 385155676 /nfs/dbraw/zinc/15/56/76/385155676.db2.gz ODOHBRMPGDDHFG-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000177001649 385164591 /nfs/dbraw/zinc/16/45/91/385164591.db2.gz UGPMUXIUZPKEOV-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000176987751 385165408 /nfs/dbraw/zinc/16/54/08/385165408.db2.gz UAEODWMNSIHUIB-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ncnn1C ZINC000176987751 385165417 /nfs/dbraw/zinc/16/54/17/385165417.db2.gz UAEODWMNSIHUIB-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000178020949 385173456 /nfs/dbraw/zinc/17/34/56/385173456.db2.gz OVLKKRHPRMPRBY-LLVKDONJSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000178020949 385173461 /nfs/dbraw/zinc/17/34/61/385173461.db2.gz OVLKKRHPRMPRBY-LLVKDONJSA-N 1 2 225.292 1.150 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000308846552 385206677 /nfs/dbraw/zinc/20/66/77/385206677.db2.gz AJPKTCKFWVGYCV-BDAKNGLRSA-N 1 2 229.345 1.422 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](C)O1 ZINC000110110713 385211302 /nfs/dbraw/zinc/21/13/02/385211302.db2.gz CHBFTAQHYJHEAZ-UWVGGRQHSA-N 1 2 233.315 1.968 20 0 BDADLO CCONC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000166569946 385256485 /nfs/dbraw/zinc/25/64/85/385256485.db2.gz SROJSLRZSXJLBL-VIFPVBQESA-N 1 2 238.291 1.598 20 0 BDADLO COC(=O)C1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000152971419 385229150 /nfs/dbraw/zinc/22/91/50/385229150.db2.gz GZQJVFYJNXYROU-UHFFFAOYSA-N 1 2 234.255 1.282 20 0 BDADLO CC(C)CCOCC[NH2+]Cc1csnn1 ZINC000045094132 385241415 /nfs/dbraw/zinc/24/14/15/385241415.db2.gz CZLPMTJDXLRGLI-UHFFFAOYSA-N 1 2 229.349 1.690 20 0 BDADLO CC1(C)CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000516957049 385255592 /nfs/dbraw/zinc/25/55/92/385255592.db2.gz ACMKVNUPSIZONN-JTQLQIEISA-N 1 2 248.330 1.258 20 0 BDADLO CC1(C)CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000516957049 385255601 /nfs/dbraw/zinc/25/56/01/385255601.db2.gz ACMKVNUPSIZONN-JTQLQIEISA-N 1 2 248.330 1.258 20 0 BDADLO CCONC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000166569819 385255715 /nfs/dbraw/zinc/25/57/15/385255715.db2.gz SROJSLRZSXJLBL-SECBINFHSA-N 1 2 238.291 1.598 20 0 BDADLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)nc1C ZINC000580201879 385203210 /nfs/dbraw/zinc/20/32/10/385203210.db2.gz JJALHVLMOLVKNT-UHFFFAOYSA-N 1 2 244.298 1.211 20 0 BDADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(F)cc1 ZINC000152686181 385204954 /nfs/dbraw/zinc/20/49/54/385204954.db2.gz WLLUKCSQMFUKCX-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CN(Cc1ccco1)Cc1c[nH+]cn1C ZINC000177231449 385205237 /nfs/dbraw/zinc/20/52/37/385205237.db2.gz WRQCEILBHAYMNP-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC000063048558 385205706 /nfs/dbraw/zinc/20/57/06/385205706.db2.gz REKYAJCWAUOLFF-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO CCc1cc(N)nc(SC[C@](C)(O)CC)[nH+]1 ZINC000280409128 385304537 /nfs/dbraw/zinc/30/45/37/385304537.db2.gz HFMCMADRXBCNST-LLVKDONJSA-N 1 2 241.360 1.874 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](Cc1cccnc1)C1CCC1 ZINC000191653094 385314106 /nfs/dbraw/zinc/31/41/06/385314106.db2.gz JMUWEZBBYQZURB-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](Cc1cccnc1)C1CCC1 ZINC000191653094 385314111 /nfs/dbraw/zinc/31/41/11/385314111.db2.gz JMUWEZBBYQZURB-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO Cc1ncc(CN(C)c2cc(CO)cc[nH+]2)s1 ZINC000400084374 385261986 /nfs/dbraw/zinc/26/19/86/385261986.db2.gz XXOYRQDUIHPIGA-UHFFFAOYSA-N 1 2 249.339 1.975 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nncn2C)cc1F ZINC000110976420 385273352 /nfs/dbraw/zinc/27/33/52/385273352.db2.gz KQYSTDQSQSOSMQ-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000424975073 385275358 /nfs/dbraw/zinc/27/53/58/385275358.db2.gz SXTOBXOQJRXFTA-ONGXEEELSA-N 1 2 231.299 1.114 20 0 BDADLO COCc1cccc(C[NH+]2CCOCC2)c1 ZINC000178843537 385335979 /nfs/dbraw/zinc/33/59/79/385335979.db2.gz LKLFBKSLFRJJJJ-UHFFFAOYSA-N 1 2 221.300 1.665 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000647313952 385339530 /nfs/dbraw/zinc/33/95/30/385339530.db2.gz PTNQNGNIRKKZAW-OUAUKWLOSA-N 1 2 233.315 1.312 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000280597374 385340458 /nfs/dbraw/zinc/34/04/58/385340458.db2.gz JADMBXLQQPDOEL-INIZCTEOSA-N 1 2 241.360 1.109 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)no1 ZINC000516656740 385348658 /nfs/dbraw/zinc/34/86/58/385348658.db2.gz NLMUDDPUXDIXCZ-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO CC(C)(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178374510 385360708 /nfs/dbraw/zinc/36/07/08/385360708.db2.gz WLWLUVLDAHRRHP-UHFFFAOYSA-N 1 2 231.299 1.997 20 0 BDADLO CS[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154924993 385364759 /nfs/dbraw/zinc/36/47/59/385364759.db2.gz NDYZKFGHFJTWSR-JTQLQIEISA-N 1 2 241.360 1.483 20 0 BDADLO CCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000110226069 385390150 /nfs/dbraw/zinc/39/01/50/385390150.db2.gz ZKKSRVLNWRIXFA-UHFFFAOYSA-N 1 2 207.277 1.802 20 0 BDADLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)no1 ZINC000155030609 385370197 /nfs/dbraw/zinc/37/01/97/385370197.db2.gz OHNYIBMUNAIPAM-UHFFFAOYSA-N 1 2 248.286 1.342 20 0 BDADLO CC[C@@H]([NH2+]C1C(C)(C)C1(C)C)C(=O)OC ZINC000168383464 385370496 /nfs/dbraw/zinc/37/04/96/385370496.db2.gz UHDYVQXQOYQFBC-MRVPVSSYSA-N 1 2 213.321 1.962 20 0 BDADLO C[C@H](O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000192771383 385370736 /nfs/dbraw/zinc/37/07/36/385370736.db2.gz CLXHIMSNFBAEQK-JTQLQIEISA-N 1 2 230.311 1.907 20 0 BDADLO C[C@H](O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000192771383 385370742 /nfs/dbraw/zinc/37/07/42/385370742.db2.gz CLXHIMSNFBAEQK-JTQLQIEISA-N 1 2 230.311 1.907 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)F)C1CCOCC1 ZINC000179853900 385380632 /nfs/dbraw/zinc/38/06/32/385380632.db2.gz YWVIKAJRRHGCKP-ZETCQYMHSA-N 1 2 211.227 1.953 20 0 BDADLO C[C@@H](NCC[N@@H+]1CC=CCC1)c1cnccn1 ZINC000280882202 385380644 /nfs/dbraw/zinc/38/06/44/385380644.db2.gz DNGZXEIUYLBMRU-GFCCVEGCSA-N 1 2 232.331 1.389 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2ccoc2)c1 ZINC000168904520 385391898 /nfs/dbraw/zinc/39/18/98/385391898.db2.gz LVIRKNVUOMCPEB-UHFFFAOYSA-N 1 2 235.239 1.949 20 0 BDADLO CC(C)(C(=O)N[C@@H]1C[C@H]1C1CCC1)c1c[nH]c[nH+]1 ZINC000644799813 385395234 /nfs/dbraw/zinc/39/52/34/385395234.db2.gz AFGLSFZEMOTHCT-WDEREUQCSA-N 1 2 247.342 1.992 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(CO)o1 ZINC000169057399 385402920 /nfs/dbraw/zinc/40/29/20/385402920.db2.gz JLFKEASMCIRGKV-MNOVXSKESA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(CO)o1 ZINC000169057399 385402925 /nfs/dbraw/zinc/40/29/25/385402925.db2.gz JLFKEASMCIRGKV-MNOVXSKESA-N 1 2 239.315 1.771 20 0 BDADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000170643194 385438408 /nfs/dbraw/zinc/43/84/08/385438408.db2.gz CKAJWSKKZQWKKZ-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000170643194 385438411 /nfs/dbraw/zinc/43/84/11/385438411.db2.gz CKAJWSKKZQWKKZ-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO COc1nccnc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000449042714 385450705 /nfs/dbraw/zinc/45/07/05/385450705.db2.gz UFAZFZXGULNRJJ-NSHDSACASA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccnc1C[N@H+]1CC[C@](C)(F)C1 ZINC000449042714 385450708 /nfs/dbraw/zinc/45/07/08/385450708.db2.gz UFAZFZXGULNRJJ-NSHDSACASA-N 1 2 225.267 1.419 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC2(CC2)C1 ZINC000492865113 385456785 /nfs/dbraw/zinc/45/67/85/385456785.db2.gz OIZCWXZFWRIKKN-OWOJBTEDSA-N 1 2 247.298 1.062 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)[C@H](C)CO ZINC000178942568 385427603 /nfs/dbraw/zinc/42/76/03/385427603.db2.gz PVQKJPVYTOZCEF-SNVBAGLBSA-N 1 2 211.309 1.277 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)[C@H](C)CO ZINC000178942568 385427605 /nfs/dbraw/zinc/42/76/05/385427605.db2.gz PVQKJPVYTOZCEF-SNVBAGLBSA-N 1 2 211.309 1.277 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000492762963 385427663 /nfs/dbraw/zinc/42/76/63/385427663.db2.gz IKLAMTPDTCEBFK-OBZIQJOBSA-N 1 2 217.272 1.338 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492772142 385429610 /nfs/dbraw/zinc/42/96/10/385429610.db2.gz SQQRAZKXJVUAHE-DLSFUBIUSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccnc1 ZINC000156066153 385433757 /nfs/dbraw/zinc/43/37/57/385433757.db2.gz XHJHYDIBGUNTAO-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccnc1 ZINC000156066153 385433762 /nfs/dbraw/zinc/43/37/62/385433762.db2.gz XHJHYDIBGUNTAO-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccnc2)[C@H]1C ZINC000156066504 385434306 /nfs/dbraw/zinc/43/43/06/385434306.db2.gz XHJHYDIBGUNTAO-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccnc2)[C@H]1C ZINC000156066504 385434309 /nfs/dbraw/zinc/43/43/09/385434309.db2.gz XHJHYDIBGUNTAO-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000492801625 385437839 /nfs/dbraw/zinc/43/78/39/385437839.db2.gz PCNMPGZZABJRQG-WYGGZMRJSA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)C[N@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000448367866 385464760 /nfs/dbraw/zinc/46/47/60/385464760.db2.gz RUPHYWLVODADAL-VIFPVBQESA-N 1 2 245.273 1.481 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000448367866 385464764 /nfs/dbraw/zinc/46/47/64/385464764.db2.gz RUPHYWLVODADAL-VIFPVBQESA-N 1 2 245.273 1.481 20 0 BDADLO O=C1C[N@@H+](C/C=C/Cl)[C@@H]2CCCC[C@H]2N1 ZINC000156865342 385470377 /nfs/dbraw/zinc/47/03/77/385470377.db2.gz NRXPVUXXGHWHPP-KJMWJQJQSA-N 1 2 228.723 1.482 20 0 BDADLO O=C1C[N@H+](C/C=C/Cl)[C@@H]2CCCC[C@H]2N1 ZINC000156865342 385470379 /nfs/dbraw/zinc/47/03/79/385470379.db2.gz NRXPVUXXGHWHPP-KJMWJQJQSA-N 1 2 228.723 1.482 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cccnc1 ZINC000179518128 385472454 /nfs/dbraw/zinc/47/24/54/385472454.db2.gz ZHZRROCMIKIRJR-NSHDSACASA-N 1 2 222.288 1.465 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccnc1 ZINC000179518128 385472456 /nfs/dbraw/zinc/47/24/56/385472456.db2.gz ZHZRROCMIKIRJR-NSHDSACASA-N 1 2 222.288 1.465 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2C[C@H]2CC(C)C)n1 ZINC000387650894 385478157 /nfs/dbraw/zinc/47/81/57/385478157.db2.gz DJHMRALARPMWNW-RKDXNWHRSA-N 1 2 209.293 1.939 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)C2)c(C)s1 ZINC000195673731 385481349 /nfs/dbraw/zinc/48/13/49/385481349.db2.gz DCJPLHIKCHJSCC-UHFFFAOYSA-N 1 2 224.329 1.297 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)C2)c(C)s1 ZINC000195673731 385481353 /nfs/dbraw/zinc/48/13/53/385481353.db2.gz DCJPLHIKCHJSCC-UHFFFAOYSA-N 1 2 224.329 1.297 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]2CCO)no1 ZINC000336719670 385461775 /nfs/dbraw/zinc/46/17/75/385461775.db2.gz VXTOOQLWGZTXFC-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@H]2CCO)no1 ZINC000336719670 385461778 /nfs/dbraw/zinc/46/17/78/385461778.db2.gz VXTOOQLWGZTXFC-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1C ZINC000179807318 385492363 /nfs/dbraw/zinc/49/23/63/385492363.db2.gz DXGNTKMHNWWJPL-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1C ZINC000179807318 385492369 /nfs/dbraw/zinc/49/23/69/385492369.db2.gz DXGNTKMHNWWJPL-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493015922 385503875 /nfs/dbraw/zinc/50/38/75/385503875.db2.gz KVUPMARQQZVRCR-XIJCSBCJSA-N 1 2 249.314 1.210 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)CCS1 ZINC000171686524 385507442 /nfs/dbraw/zinc/50/74/42/385507442.db2.gz VALGCYGMHKXAMP-SECBINFHSA-N 1 2 231.361 1.765 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)CCS1 ZINC000171686524 385507446 /nfs/dbraw/zinc/50/74/46/385507446.db2.gz VALGCYGMHKXAMP-SECBINFHSA-N 1 2 231.361 1.765 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C/C=C/Cl ZINC000364738978 385508899 /nfs/dbraw/zinc/50/88/99/385508899.db2.gz NCKLPSRUVHPZLF-ZDDBVIRUSA-N 1 2 243.734 1.809 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C/C=C/Cl ZINC000364738978 385508902 /nfs/dbraw/zinc/50/89/02/385508902.db2.gz NCKLPSRUVHPZLF-ZDDBVIRUSA-N 1 2 243.734 1.809 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000106462078 385510375 /nfs/dbraw/zinc/51/03/75/385510375.db2.gz RGUCNNIUNLVGCA-LLVKDONJSA-N 1 2 235.331 1.809 20 0 BDADLO COCC[C@@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493070245 385512241 /nfs/dbraw/zinc/51/22/41/385512241.db2.gz KZMAOONZPPIJQO-HMDXOVGESA-N 1 2 237.303 1.212 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000109890176 385489979 /nfs/dbraw/zinc/48/99/79/385489979.db2.gz BTHCWWFRVAIYIC-UHFFFAOYSA-N 1 2 229.239 1.743 20 0 BDADLO Cc1ccoc1C(=O)Nc1cc[nH+]cc1O ZINC000109891425 385490303 /nfs/dbraw/zinc/49/03/03/385490303.db2.gz QEBQXZPMCCZVDF-UHFFFAOYSA-N 1 2 218.212 1.941 20 0 BDADLO Cc1occc1CN(C)Cc1[nH]cc[nH+]1 ZINC000171920411 385531871 /nfs/dbraw/zinc/53/18/71/385531871.db2.gz JEFZTEQKWFDBIF-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO c1nc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000335157639 385575376 /nfs/dbraw/zinc/57/53/76/385575376.db2.gz SIZURQQMWOBQDG-IUCAKERBSA-N 1 2 212.343 1.833 20 0 BDADLO c1nc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000335157639 385575379 /nfs/dbraw/zinc/57/53/79/385575379.db2.gz SIZURQQMWOBQDG-IUCAKERBSA-N 1 2 212.343 1.833 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnns1 ZINC000107285126 385562958 /nfs/dbraw/zinc/56/29/58/385562958.db2.gz CXOIPWDKNQRSQI-UHFFFAOYSA-N 1 2 220.257 1.494 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000280752714 385601405 /nfs/dbraw/zinc/60/14/05/385601405.db2.gz DVSSGAXVCUHXKI-ZJUUUORDSA-N 1 2 213.277 1.172 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000280752714 385601409 /nfs/dbraw/zinc/60/14/09/385601409.db2.gz DVSSGAXVCUHXKI-ZJUUUORDSA-N 1 2 213.277 1.172 20 0 BDADLO Cc1cc(N[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000052005925 385602100 /nfs/dbraw/zinc/60/21/00/385602100.db2.gz WZKRBXFYYKCEGV-ZJUUUORDSA-N 1 2 207.277 1.500 20 0 BDADLO CN(CCC1CC1)C(=O)CCn1cc[nH+]c1 ZINC000269535610 385604737 /nfs/dbraw/zinc/60/47/37/385604737.db2.gz SZEFBMRELBJLHX-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO COC(=O)[C@]1([NH2+]CC2CCCC2)CCOC1 ZINC000309433087 385579930 /nfs/dbraw/zinc/57/99/30/385579930.db2.gz GRABBDMCWGSJRX-LBPRGKRZSA-N 1 2 227.304 1.098 20 0 BDADLO O=C(CCCC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000643208051 385605729 /nfs/dbraw/zinc/60/57/29/385605729.db2.gz VJCOVOFBFKWZBJ-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cscn1 ZINC000309444651 385584460 /nfs/dbraw/zinc/58/44/60/385584460.db2.gz LAJWBQDSKWPEPD-IUCAKERBSA-N 1 2 239.344 1.415 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc[nH]1)C2 ZINC000365064101 385588031 /nfs/dbraw/zinc/58/80/31/385588031.db2.gz XZBWDRFEJJRHCV-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO C[C@H](CCO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000269631844 385615723 /nfs/dbraw/zinc/61/57/23/385615723.db2.gz WIPTZQASNLHWRR-SNVBAGLBSA-N 1 2 247.298 1.083 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCCCO1 ZINC000066496334 385623123 /nfs/dbraw/zinc/62/31/23/385623123.db2.gz ABQVDNBCAPRVAJ-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC1(C)C ZINC000269746963 385630654 /nfs/dbraw/zinc/63/06/54/385630654.db2.gz OFAKXPJXCKTPCM-VIFPVBQESA-N 1 2 221.304 1.425 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nccn1C(F)F ZINC000182055073 385632125 /nfs/dbraw/zinc/63/21/25/385632125.db2.gz CMAYANAFPFILBG-MRVPVSSYSA-N 1 2 233.262 1.745 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nccn1C(F)F ZINC000182055073 385632133 /nfs/dbraw/zinc/63/21/33/385632133.db2.gz CMAYANAFPFILBG-MRVPVSSYSA-N 1 2 233.262 1.745 20 0 BDADLO C[C@H]1CSC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000336677583 385609571 /nfs/dbraw/zinc/60/95/71/385609571.db2.gz HYGPTOBJKIZNGT-DTWKUNHWSA-N 1 2 231.361 1.669 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CC1(C)C)Cn1cc[nH+]c1 ZINC000269818526 385637610 /nfs/dbraw/zinc/63/76/10/385637610.db2.gz XVHRIQGNGCMOOX-MNOVXSKESA-N 1 2 235.331 1.682 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nccs1 ZINC000182208273 385644592 /nfs/dbraw/zinc/64/45/92/385644592.db2.gz FSZLXYOPUUAKMM-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nccs1 ZINC000182208273 385644596 /nfs/dbraw/zinc/64/45/96/385644596.db2.gz FSZLXYOPUUAKMM-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO C[C@@H]([NH2+]CCOC(C)(C)C)c1ncn(C)n1 ZINC000309507375 385650146 /nfs/dbraw/zinc/65/01/46/385650146.db2.gz WHMKRQMIUBXGOT-SECBINFHSA-N 1 2 226.324 1.281 20 0 BDADLO C[C@H]([NH2+]CCOC(C)(C)C)c1ncn(C)n1 ZINC000309507376 385650348 /nfs/dbraw/zinc/65/03/48/385650348.db2.gz WHMKRQMIUBXGOT-VIFPVBQESA-N 1 2 226.324 1.281 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COc1cccnc1 ZINC000337463256 385672124 /nfs/dbraw/zinc/67/21/24/385672124.db2.gz SAEVTLBQGCWWSJ-UHFFFAOYSA-N 1 2 243.266 1.224 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CSC[C@@H]2C)no1 ZINC000307352747 385680352 /nfs/dbraw/zinc/68/03/52/385680352.db2.gz REDJITKTRFXZPI-POYBYMJQSA-N 1 2 213.306 1.219 20 0 BDADLO Cc1nc(C)c(CNc2ccc(CO)c[nH+]2)o1 ZINC000647913272 385684751 /nfs/dbraw/zinc/68/47/51/385684751.db2.gz ZRYLXGREMBDICW-UHFFFAOYSA-N 1 2 233.271 1.791 20 0 BDADLO C[C@@H](O)CN(CCCn1cc[nH+]c1)CC(F)F ZINC000451838694 385714356 /nfs/dbraw/zinc/71/43/56/385714356.db2.gz QYHRLFNZYHPSFL-SNVBAGLBSA-N 1 2 247.289 1.221 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000336654797 385741156 /nfs/dbraw/zinc/74/11/56/385741156.db2.gz MXWOVOZKUVEQKD-VXNVDRBHSA-N 1 2 203.257 1.276 20 0 BDADLO CC(C)c1nnc(C[NH+]2CCC(C)(O)CC2)[nH]1 ZINC000408376076 385742831 /nfs/dbraw/zinc/74/28/31/385742831.db2.gz RADFAZOMVHVVJF-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000408375434 385742939 /nfs/dbraw/zinc/74/29/39/385742939.db2.gz OQWJSRSLCOGSRB-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000408375434 385742944 /nfs/dbraw/zinc/74/29/44/385742944.db2.gz OQWJSRSLCOGSRB-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000282266734 385747432 /nfs/dbraw/zinc/74/74/32/385747432.db2.gz CGZYBLKOVZSGIT-SNVBAGLBSA-N 1 2 245.369 1.367 20 0 BDADLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000282266734 385747434 /nfs/dbraw/zinc/74/74/34/385747434.db2.gz CGZYBLKOVZSGIT-SNVBAGLBSA-N 1 2 245.369 1.367 20 0 BDADLO CC(C)c1nc(N2CCC2)nc(N(C)C)[nH+]1 ZINC000270926114 385759999 /nfs/dbraw/zinc/75/99/99/385759999.db2.gz JWGFHDPKTMFFLH-UHFFFAOYSA-N 1 2 221.308 1.271 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2CCC2)[nH+]1 ZINC000270926114 385760001 /nfs/dbraw/zinc/76/00/01/385760001.db2.gz JWGFHDPKTMFFLH-UHFFFAOYSA-N 1 2 221.308 1.271 20 0 BDADLO Cc1cc(N)nc(SCCC2(O)CC2)[nH+]1 ZINC000336701367 385764668 /nfs/dbraw/zinc/76/46/68/385764668.db2.gz PQSYXXQUYBPOIR-UHFFFAOYSA-N 1 2 225.317 1.205 20 0 BDADLO CCCc1nc(CN(C)Cc2[nH+]ccn2C)no1 ZINC000271004553 385770883 /nfs/dbraw/zinc/77/08/83/385770883.db2.gz KTCHQEXCBOCMKC-UHFFFAOYSA-N 1 2 249.318 1.388 20 0 BDADLO CC[C@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000336703257 385774525 /nfs/dbraw/zinc/77/45/25/385774525.db2.gz ZLCAPTMIHCMOML-QMMMGPOBSA-N 1 2 217.334 1.423 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCCCCF)CCOC1 ZINC000309657295 385776899 /nfs/dbraw/zinc/77/68/99/385776899.db2.gz QHXCYPNXJZTGJM-LLVKDONJSA-N 1 2 233.283 1.048 20 0 BDADLO CO[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000282728719 385782160 /nfs/dbraw/zinc/78/21/60/385782160.db2.gz IEOAWTTUHSLWHI-BMPPAVAUSA-N 1 2 249.314 1.449 20 0 BDADLO CN(CCCCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000282787399 385784576 /nfs/dbraw/zinc/78/45/76/385784576.db2.gz NHSPLFORWGMHET-AATRIKPKSA-N 1 2 237.303 1.044 20 0 BDADLO CN(c1[nH+]c2ccccc2n1C)[C@@H]1CCOC1 ZINC000270578682 385720538 /nfs/dbraw/zinc/72/05/38/385720538.db2.gz PMMKOTPUZDQTJS-SNVBAGLBSA-N 1 2 231.299 1.798 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@](C)(O)C(F)(F)F ZINC000282052659 385726521 /nfs/dbraw/zinc/72/65/21/385726521.db2.gz RRBROUFOTHIMHM-QMMMGPOBSA-N 1 2 238.209 1.420 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@](C)(O)C(F)(F)F ZINC000282052659 385726527 /nfs/dbraw/zinc/72/65/27/385726527.db2.gz RRBROUFOTHIMHM-QMMMGPOBSA-N 1 2 238.209 1.420 20 0 BDADLO C[C@@H](C[NH3+])C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000262540091 385856600 /nfs/dbraw/zinc/85/66/00/385856600.db2.gz NEIRBNUXQXSUPW-QMMMGPOBSA-N 1 2 245.286 1.005 20 0 BDADLO COC[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000336714157 385810055 /nfs/dbraw/zinc/81/00/55/385810055.db2.gz UVAFKEZFMMPKTI-ZETCQYMHSA-N 1 2 220.276 1.135 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1cccc(F)c1F ZINC000283951195 385811192 /nfs/dbraw/zinc/81/11/92/385811192.db2.gz LEMNTGAGFFKCLG-ZETCQYMHSA-N 1 2 238.241 1.934 20 0 BDADLO Cc1cnccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000283328340 385815872 /nfs/dbraw/zinc/81/58/72/385815872.db2.gz RLTANMIOAAEDRV-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]1C ZINC000294220242 385823786 /nfs/dbraw/zinc/82/37/86/385823786.db2.gz RJMJJHYQJOMYPH-APPZFPTMSA-N 1 2 207.277 1.127 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186994007 385824219 /nfs/dbraw/zinc/82/42/19/385824219.db2.gz HTQCVQQDOYCRLA-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccnc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000186994007 385824221 /nfs/dbraw/zinc/82/42/21/385824221.db2.gz HTQCVQQDOYCRLA-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO COC(=O)C1CC[NH+](Cc2nccs2)CC1 ZINC000094975947 385828089 /nfs/dbraw/zinc/82/80/89/385828089.db2.gz XHFXCXVKDKWVEI-UHFFFAOYSA-N 1 2 240.328 1.528 20 0 BDADLO CC[C@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336738269 385834919 /nfs/dbraw/zinc/83/49/19/385834919.db2.gz RCAZITQETVPYHH-JGVFFNPUSA-N 1 2 210.281 1.179 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cccc2c1OCO2 ZINC000284002779 385845294 /nfs/dbraw/zinc/84/52/94/385845294.db2.gz KSTCYRMRFDKBOC-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cccc2c1OCO2 ZINC000284002779 385845302 /nfs/dbraw/zinc/84/53/02/385845302.db2.gz KSTCYRMRFDKBOC-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO COCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644837174 385847290 /nfs/dbraw/zinc/84/72/90/385847290.db2.gz HGXBIFBHIAHGCC-UONOGXRCSA-N 1 2 233.311 1.806 20 0 BDADLO COCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644837174 385847291 /nfs/dbraw/zinc/84/72/91/385847291.db2.gz HGXBIFBHIAHGCC-UONOGXRCSA-N 1 2 233.311 1.806 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000413618114 385849084 /nfs/dbraw/zinc/84/90/84/385849084.db2.gz UNVNIRNIYWMRNV-VXGBXAGGSA-N 1 2 249.358 1.985 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCc1ccoc1 ZINC000271773661 385849681 /nfs/dbraw/zinc/84/96/81/385849681.db2.gz KJONDPVUVSFEMB-UHFFFAOYSA-N 1 2 248.286 1.355 20 0 BDADLO Cc1sccc1C(=O)NCc1[nH+]ccn1C ZINC000294431329 385850664 /nfs/dbraw/zinc/85/06/64/385850664.db2.gz BXMQKZOFINAILU-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CC1CCCC1 ZINC000271819470 385853284 /nfs/dbraw/zinc/85/32/84/385853284.db2.gz OUPNPJGBGBVDKY-HNNXBMFYSA-N 1 2 226.345 1.859 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2c[nH]nc2c1 ZINC000271147454 385791995 /nfs/dbraw/zinc/79/19/95/385791995.db2.gz INNPMJIHSRCIKX-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2c[nH]nc2c1 ZINC000271147454 385792001 /nfs/dbraw/zinc/79/20/01/385792001.db2.gz INNPMJIHSRCIKX-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO COC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000336708023 385794558 /nfs/dbraw/zinc/79/45/58/385794558.db2.gz QOCRXQOBPRVQIJ-VIFPVBQESA-N 1 2 221.304 1.531 20 0 BDADLO CC[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000294069976 385796448 /nfs/dbraw/zinc/79/64/48/385796448.db2.gz QHPUORIDRBFYSY-JTQLQIEISA-N 1 2 207.277 1.284 20 0 BDADLO CC(C)[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000647846274 385890829 /nfs/dbraw/zinc/89/08/29/385890829.db2.gz YIHGFNNGXOQDPY-MRVPVSSYSA-N 1 2 222.292 1.737 20 0 BDADLO CC(C)[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000647846274 385890831 /nfs/dbraw/zinc/89/08/31/385890831.db2.gz YIHGFNNGXOQDPY-MRVPVSSYSA-N 1 2 222.292 1.737 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OC ZINC000355074768 385891169 /nfs/dbraw/zinc/89/11/69/385891169.db2.gz IYFYBCQOZKTICM-VXGBXAGGSA-N 1 2 243.347 1.899 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccncc2)s1 ZINC000272319392 385894068 /nfs/dbraw/zinc/89/40/68/385894068.db2.gz AFSGXRNQPXSYNE-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccncc2)s1 ZINC000272319392 385894073 /nfs/dbraw/zinc/89/40/73/385894073.db2.gz AFSGXRNQPXSYNE-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000285034354 385895912 /nfs/dbraw/zinc/89/59/12/385895912.db2.gz HWFISBXJYAWABB-ZJUUUORDSA-N 1 2 239.319 1.500 20 0 BDADLO CC[C@H](CNc1cc(CO)cc[nH+]1)OC ZINC000308858001 385899672 /nfs/dbraw/zinc/89/96/72/385899672.db2.gz UMPFHFMZXARLCE-SNVBAGLBSA-N 1 2 210.277 1.411 20 0 BDADLO Cc1c(C[N@@H+]2CCC=C(F)C2)cnn1C ZINC000272471624 385905229 /nfs/dbraw/zinc/90/52/29/385905229.db2.gz LJZWTAUBGVGAJB-UHFFFAOYSA-N 1 2 209.268 1.788 20 0 BDADLO Cc1c(C[N@H+]2CCC=C(F)C2)cnn1C ZINC000272471624 385905231 /nfs/dbraw/zinc/90/52/31/385905231.db2.gz LJZWTAUBGVGAJB-UHFFFAOYSA-N 1 2 209.268 1.788 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCOCC1)c1[nH]cc[nH+]1 ZINC000518796298 385910041 /nfs/dbraw/zinc/91/00/41/385910041.db2.gz ZUFLEVQMFVIXDT-NXEZZACHSA-N 1 2 237.303 1.404 20 0 BDADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1CCC1 ZINC000413965341 385916814 /nfs/dbraw/zinc/91/68/14/385916814.db2.gz HNVDXUFDSYRWBM-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+](Cc1cc(F)ccc1F)[C@@H]1COC[C@H]1O ZINC000285371076 385917654 /nfs/dbraw/zinc/91/76/54/385917654.db2.gz AXSAOIVPEVDVHP-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO C[N@@H+](Cc1cc(F)ccc1F)[C@@H]1COC[C@H]1O ZINC000285371076 385917660 /nfs/dbraw/zinc/91/76/60/385917660.db2.gz AXSAOIVPEVDVHP-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO COC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285379836 385921248 /nfs/dbraw/zinc/92/12/48/385921248.db2.gz RNUWQWVLRJKWNG-UHFFFAOYSA-N 1 2 221.256 1.542 20 0 BDADLO COC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285379836 385921254 /nfs/dbraw/zinc/92/12/54/385921254.db2.gz RNUWQWVLRJKWNG-UHFFFAOYSA-N 1 2 221.256 1.542 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000294946201 385924552 /nfs/dbraw/zinc/92/45/52/385924552.db2.gz HHCCYZWUKZNWRV-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000294946201 385924558 /nfs/dbraw/zinc/92/45/58/385924558.db2.gz HHCCYZWUKZNWRV-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c[nH+]1 ZINC000335036206 385926000 /nfs/dbraw/zinc/92/60/00/385926000.db2.gz ACCYOVDHQFXLAC-DTWKUNHWSA-N 1 2 237.278 1.961 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000294946203 385926136 /nfs/dbraw/zinc/92/61/36/385926136.db2.gz HHCCYZWUKZNWRV-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000294946203 385926142 /nfs/dbraw/zinc/92/61/42/385926142.db2.gz HHCCYZWUKZNWRV-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO COC(=O)[C@@H](C)NCc1cn2cc(C)ccc2[nH+]1 ZINC000284398125 385865564 /nfs/dbraw/zinc/86/55/64/385865564.db2.gz PONLETRYGIOTBU-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO CCCc1nc(COCc2[nH]cc[nH+]2)no1 ZINC000272022352 385867835 /nfs/dbraw/zinc/86/78/35/385867835.db2.gz IDCJCGUBLLJXCQ-UHFFFAOYSA-N 1 2 222.248 1.462 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C1CC1)C1COC1 ZINC000294661937 385880085 /nfs/dbraw/zinc/88/00/85/385880085.db2.gz ALFVYPIGZCEEHQ-UHFFFAOYSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C1CC1)C1COC1 ZINC000294661937 385880090 /nfs/dbraw/zinc/88/00/90/385880090.db2.gz ALFVYPIGZCEEHQ-UHFFFAOYSA-N 1 2 207.277 1.081 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)N(c2cccc[nH+]2)C1 ZINC000284654870 385880041 /nfs/dbraw/zinc/88/00/41/385880041.db2.gz XCAQBTVHGVWFBV-ZJUUUORDSA-N 1 2 245.286 1.166 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)CC(C)(C)CO ZINC000294668626 385880222 /nfs/dbraw/zinc/88/02/22/385880222.db2.gz AQJRMBOJITZYGX-UHFFFAOYSA-N 1 2 245.754 1.524 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)CC(C)(C)CO ZINC000294668626 385880226 /nfs/dbraw/zinc/88/02/26/385880226.db2.gz AQJRMBOJITZYGX-UHFFFAOYSA-N 1 2 245.754 1.524 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)s1 ZINC000643254818 385994678 /nfs/dbraw/zinc/99/46/78/385994678.db2.gz SJGAKTGWLPMPJA-IUCAKERBSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)s1 ZINC000643254818 385994685 /nfs/dbraw/zinc/99/46/85/385994685.db2.gz SJGAKTGWLPMPJA-IUCAKERBSA-N 1 2 241.360 1.446 20 0 BDADLO CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335018393 385978848 /nfs/dbraw/zinc/97/88/48/385978848.db2.gz HHVDHACFOSYRIH-ZIAGYGMSSA-N 1 2 239.407 1.720 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000647925907 385979455 /nfs/dbraw/zinc/97/94/55/385979455.db2.gz FAAOCRXUSVRBPK-SECBINFHSA-N 1 2 249.343 1.737 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000647925907 385979459 /nfs/dbraw/zinc/97/94/59/385979459.db2.gz FAAOCRXUSVRBPK-SECBINFHSA-N 1 2 249.343 1.737 20 0 BDADLO CC(C)c1noc(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000273246872 385982390 /nfs/dbraw/zinc/98/23/90/385982390.db2.gz CJMGXIIXNVHGIU-SECBINFHSA-N 1 2 249.318 1.777 20 0 BDADLO COCCN(C[C@@H](C)O)c1[nH]c2ccccc2[nH+]1 ZINC000414135130 385984657 /nfs/dbraw/zinc/98/46/57/385984657.db2.gz DUOZHZYFFATXHN-SNVBAGLBSA-N 1 2 249.314 1.397 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286012932 385985899 /nfs/dbraw/zinc/98/58/99/385985899.db2.gz GYCAGTVKGANGGI-LLVKDONJSA-N 1 2 236.319 1.025 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286012932 385985913 /nfs/dbraw/zinc/98/59/13/385985913.db2.gz GYCAGTVKGANGGI-LLVKDONJSA-N 1 2 236.319 1.025 20 0 BDADLO c1[nH+]cn2c1CN(c1nnc(C3CC3)o1)CC2 ZINC000329709683 385987490 /nfs/dbraw/zinc/98/74/90/385987490.db2.gz LRQXVIKNLISZOV-UHFFFAOYSA-N 1 2 231.259 1.164 20 0 BDADLO Cc1cc[nH+]c(NCC2(CO)COC2)c1Cl ZINC000336748917 385988097 /nfs/dbraw/zinc/98/80/97/385988097.db2.gz YJTUMEJIZIYEDP-UHFFFAOYSA-N 1 2 242.706 1.464 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC000295213749 385992682 /nfs/dbraw/zinc/99/26/82/385992682.db2.gz PTTYEEOYAFVHED-YUMQZZPRSA-N 1 2 248.735 1.300 20 0 BDADLO CCc1ccc([C@H](CO)[NH2+]Cc2c[nH]cn2)cc1 ZINC000338270040 385935305 /nfs/dbraw/zinc/93/53/05/385935305.db2.gz DXKHIZQDKXDASO-AWEZNQCLSA-N 1 2 245.326 1.795 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCCOC2)c[nH+]1 ZINC000335044765 385938457 /nfs/dbraw/zinc/93/84/57/385938457.db2.gz OLFZAYFRGSABFN-LBPRGKRZSA-N 1 2 248.326 1.741 20 0 BDADLO COC(=O)C[N@H+](C)CCCC(=O)c1ccccc1 ZINC000272825082 385939479 /nfs/dbraw/zinc/93/94/79/385939479.db2.gz XOHGHUZNKMOVGL-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO COC(=O)C[N@@H+](C)CCCC(=O)c1ccccc1 ZINC000272825082 385939484 /nfs/dbraw/zinc/93/94/84/385939484.db2.gz XOHGHUZNKMOVGL-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)s1 ZINC000338273493 385940085 /nfs/dbraw/zinc/94/00/85/385940085.db2.gz FSVCTQOVHHVDAC-IUCAKERBSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOC[C@@H](C)C2)s1 ZINC000338273493 385940090 /nfs/dbraw/zinc/94/00/90/385940090.db2.gz FSVCTQOVHHVDAC-IUCAKERBSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+]2CCn2cccn2)n1 ZINC000285534870 385940651 /nfs/dbraw/zinc/94/06/51/385940651.db2.gz FQYJNCDQVQTZRD-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+]2CCn2cccn2)n1 ZINC000285534870 385940656 /nfs/dbraw/zinc/94/06/56/385940656.db2.gz FQYJNCDQVQTZRD-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO COC(=O)[C@H](CF)NCc1c[nH+]cn1C(C)C ZINC000425391551 385943371 /nfs/dbraw/zinc/94/33/71/385943371.db2.gz ZUSJPVKBHZWQJG-JTQLQIEISA-N 1 2 243.282 1.065 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000643250809 385955051 /nfs/dbraw/zinc/95/50/51/385955051.db2.gz CCQQPXGGELDFOV-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)s1 ZINC000338308692 385955070 /nfs/dbraw/zinc/95/50/70/385955070.db2.gz QGDFGTFWAAIWPE-CBAPKCEASA-N 1 2 239.344 1.364 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)s1 ZINC000338308692 385955077 /nfs/dbraw/zinc/95/50/77/385955077.db2.gz QGDFGTFWAAIWPE-CBAPKCEASA-N 1 2 239.344 1.364 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nn(C)cc1Cl ZINC000643250809 385955057 /nfs/dbraw/zinc/95/50/57/385955057.db2.gz CCQQPXGGELDFOV-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]CN2CCC(=O)CC2)o1 ZINC000273013160 385961835 /nfs/dbraw/zinc/96/18/35/385961835.db2.gz BGVLDSUZQISMLM-LLVKDONJSA-N 1 2 236.315 1.861 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](O)[C@H](C)C2)s1 ZINC000338311155 385962881 /nfs/dbraw/zinc/96/28/81/385962881.db2.gz WDFALDKFRDJHLC-WEDXCCLWSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](O)[C@H](C)C2)s1 ZINC000338311155 385962888 /nfs/dbraw/zinc/96/28/88/385962888.db2.gz WDFALDKFRDJHLC-WEDXCCLWSA-N 1 2 241.360 1.610 20 0 BDADLO CC[N@H+](CCCO)Cc1ncnn1C(C)(C)C ZINC000338311861 385963943 /nfs/dbraw/zinc/96/39/43/385963943.db2.gz DWZNPCAIFLDWTO-UHFFFAOYSA-N 1 2 240.351 1.237 20 0 BDADLO CC[N@@H+](CCCO)Cc1ncnn1C(C)(C)C ZINC000338311861 385963948 /nfs/dbraw/zinc/96/39/48/385963948.db2.gz DWZNPCAIFLDWTO-UHFFFAOYSA-N 1 2 240.351 1.237 20 0 BDADLO O=C1CCN(C[NH2+][C@H]2COc3ccccc32)CC1 ZINC000273146152 385974240 /nfs/dbraw/zinc/97/42/40/385974240.db2.gz XZKXZQUNSWQYHB-ZDUSSCGKSA-N 1 2 246.310 1.332 20 0 BDADLO Clc1ccc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000334915954 386000174 /nfs/dbraw/zinc/00/01/74/386000174.db2.gz DWRUKRWHSLXKHW-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000295302281 386008747 /nfs/dbraw/zinc/00/87/47/386008747.db2.gz JZWLBGMXQBNVIN-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000295302281 386008750 /nfs/dbraw/zinc/00/87/50/386008750.db2.gz JZWLBGMXQBNVIN-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO CCNC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335072503 386012476 /nfs/dbraw/zinc/01/24/76/386012476.db2.gz YXJCRCYXMCQJNI-QMMMGPOBSA-N 1 2 208.265 1.276 20 0 BDADLO CN(C)c1cc[nH+]cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000273571657 386014391 /nfs/dbraw/zinc/01/43/91/386014391.db2.gz GNHUZIDISFMQNL-UHFFFAOYSA-N 1 2 248.374 1.331 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000295348666 386016862 /nfs/dbraw/zinc/01/68/62/386016862.db2.gz NCSGYPOVCREPJS-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC2(CCC2)C1 ZINC000295348666 386016868 /nfs/dbraw/zinc/01/68/68/386016868.db2.gz NCSGYPOVCREPJS-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO CC(C)(C)[C@@H](O)C[C@H](CO)Nc1cccc[nH+]1 ZINC000286271732 386017909 /nfs/dbraw/zinc/01/79/09/386017909.db2.gz BZAKZPKLOVBTQW-MNOVXSKESA-N 1 2 238.331 1.652 20 0 BDADLO COC[C@@H]([NH2+]Cc1c(C)cnn1C)c1ccco1 ZINC000286311845 386024319 /nfs/dbraw/zinc/02/43/19/386024319.db2.gz CWZPXZUEQRCGFI-LLVKDONJSA-N 1 2 249.314 1.799 20 0 BDADLO C[N@H+](Cc1sccc1Cl)[C@H]1CCNC1=O ZINC000335060233 386024515 /nfs/dbraw/zinc/02/45/15/386024515.db2.gz ZJANQEGYLLAAQL-QMMMGPOBSA-N 1 2 244.747 1.722 20 0 BDADLO C[N@@H+](Cc1sccc1Cl)[C@H]1CCNC1=O ZINC000335060233 386024519 /nfs/dbraw/zinc/02/45/19/386024519.db2.gz ZJANQEGYLLAAQL-QMMMGPOBSA-N 1 2 244.747 1.722 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@@H]1CCC[C@@H](C)C1 ZINC000414185440 386024702 /nfs/dbraw/zinc/02/47/02/386024702.db2.gz ONHLGPNPWJAVTJ-WZRBSPASSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@@H]1CCC[C@@H](C)C1 ZINC000414185440 386024707 /nfs/dbraw/zinc/02/47/07/386024707.db2.gz ONHLGPNPWJAVTJ-WZRBSPASSA-N 1 2 224.348 1.981 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)no1 ZINC000335060675 386026586 /nfs/dbraw/zinc/02/65/86/386026586.db2.gz XXRLTCPNVCPNSD-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO C[N@H+](Cc1csc(Cl)n1)C1(CO)CC1 ZINC000295405850 386026706 /nfs/dbraw/zinc/02/67/06/386026706.db2.gz WVPVHOVLVJHIFB-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO C[N@@H+](Cc1csc(Cl)n1)C1(CO)CC1 ZINC000295405850 386026710 /nfs/dbraw/zinc/02/67/10/386026710.db2.gz WVPVHOVLVJHIFB-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC000286400518 386034262 /nfs/dbraw/zinc/03/42/62/386034262.db2.gz POTFHESNRNPHCZ-AOOOYVTPSA-N 1 2 207.277 1.399 20 0 BDADLO CCCCC[N@@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000414205066 386043328 /nfs/dbraw/zinc/04/33/28/386043328.db2.gz IIOKDFPNYUFQSD-YPMHNXCESA-N 1 2 240.347 1.504 20 0 BDADLO CCCCC[N@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000414205066 386043333 /nfs/dbraw/zinc/04/33/33/386043333.db2.gz IIOKDFPNYUFQSD-YPMHNXCESA-N 1 2 240.347 1.504 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000334437658 386044277 /nfs/dbraw/zinc/04/42/77/386044277.db2.gz RPAYNTIKDFDQNZ-SCZZXKLOSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000334437658 386044282 /nfs/dbraw/zinc/04/42/82/386044282.db2.gz RPAYNTIKDFDQNZ-SCZZXKLOSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1cnn(C)c1CNc1ccc(N(C)C)c[nH+]1 ZINC000286485882 386044293 /nfs/dbraw/zinc/04/42/93/386044293.db2.gz LMOVNNNRYCHCGY-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000334439564 386047289 /nfs/dbraw/zinc/04/72/89/386047289.db2.gz LBDBFNGGELNEET-QWRGUYRKSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000334439564 386047298 /nfs/dbraw/zinc/04/72/98/386047298.db2.gz LBDBFNGGELNEET-QWRGUYRKSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CO)C2)c(C)s1 ZINC000334438912 386047768 /nfs/dbraw/zinc/04/77/68/386047768.db2.gz UFGCQLPRNGZFDI-GFCCVEGCSA-N 1 2 241.356 1.558 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CO)C2)c(C)s1 ZINC000334438912 386047771 /nfs/dbraw/zinc/04/77/71/386047771.db2.gz UFGCQLPRNGZFDI-GFCCVEGCSA-N 1 2 241.356 1.558 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCSC1 ZINC000425426570 386050146 /nfs/dbraw/zinc/05/01/46/386050146.db2.gz WJZUTMBWPYCAJZ-ZCFIWIBFSA-N 1 2 249.286 1.945 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCSC1 ZINC000425426570 386050151 /nfs/dbraw/zinc/05/01/51/386050151.db2.gz WJZUTMBWPYCAJZ-ZCFIWIBFSA-N 1 2 249.286 1.945 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2nccnc2c1 ZINC000340506300 386053056 /nfs/dbraw/zinc/05/30/56/386053056.db2.gz UMDNTOHKCBTWKX-UHFFFAOYSA-N 1 2 240.266 1.942 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccccc1OC1CC1 ZINC000295920558 386107014 /nfs/dbraw/zinc/10/70/14/386107014.db2.gz GJLKNIXMOKIHLE-UHFFFAOYSA-N 1 2 248.326 1.535 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccccc1OC1CC1 ZINC000295920558 386107020 /nfs/dbraw/zinc/10/70/20/386107020.db2.gz GJLKNIXMOKIHLE-UHFFFAOYSA-N 1 2 248.326 1.535 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccncc1F)c1ncnn1C ZINC000340508060 386057980 /nfs/dbraw/zinc/05/79/80/386057980.db2.gz IHXGWYKXKZZMNH-RKDXNWHRSA-N 1 2 249.293 1.761 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOCC12CC2 ZINC000338594410 386069400 /nfs/dbraw/zinc/06/94/00/386069400.db2.gz ZXTOZSFJLJNYMV-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ncccc1C[N@H+]1CCOCC12CC2 ZINC000338594410 386069401 /nfs/dbraw/zinc/06/94/01/386069401.db2.gz ZXTOZSFJLJNYMV-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000274093056 386069784 /nfs/dbraw/zinc/06/97/84/386069784.db2.gz ISQGIUGESKDXOV-LLVKDONJSA-N 1 2 243.328 1.289 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000274093056 386069790 /nfs/dbraw/zinc/06/97/90/386069790.db2.gz ISQGIUGESKDXOV-LLVKDONJSA-N 1 2 243.328 1.289 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334451075 386089494 /nfs/dbraw/zinc/08/94/94/386089494.db2.gz UQYJZZBKVSSKOM-JTQLQIEISA-N 1 2 245.282 1.355 20 0 BDADLO CCOC[C@@H]([NH2+][C@@H](C)C(=O)OCC)C(C)C ZINC000189803702 386089892 /nfs/dbraw/zinc/08/98/92/386089892.db2.gz FEZQTXMXPMMCIE-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO CC[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000189828472 386090707 /nfs/dbraw/zinc/09/07/07/386090707.db2.gz CFXVNEYMDKVTQP-SKDRFNHKSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425472964 386144498 /nfs/dbraw/zinc/14/44/98/386144498.db2.gz JMZLYGHLDVYJOZ-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425472964 386144502 /nfs/dbraw/zinc/14/45/02/386144502.db2.gz JMZLYGHLDVYJOZ-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)s1 ZINC000190087522 386146345 /nfs/dbraw/zinc/14/63/45/386146345.db2.gz GCZWDJLXARPEEE-SNVBAGLBSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)s1 ZINC000190087522 386146349 /nfs/dbraw/zinc/14/63/49/386146349.db2.gz GCZWDJLXARPEEE-SNVBAGLBSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(O)CCC1 ZINC000274766635 386146628 /nfs/dbraw/zinc/14/66/28/386146628.db2.gz OSBYDCLMRIEEDU-UHFFFAOYSA-N 1 2 206.245 1.244 20 0 BDADLO Cc1cnccc1C(=O)NCc1[nH+]ccn1C ZINC000274813312 386152323 /nfs/dbraw/zinc/15/23/23/386152323.db2.gz NEYXJDLVVCLQLZ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)n1c[nH+]cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000335148441 386156826 /nfs/dbraw/zinc/15/68/26/386156826.db2.gz VNBPRYBIWOSBIF-BETUJISGSA-N 1 2 235.331 1.827 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)n[nH]1 ZINC000334477346 386160998 /nfs/dbraw/zinc/16/09/98/386160998.db2.gz PZSXIYXGXXSJFM-QWRGUYRKSA-N 1 2 207.277 1.163 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)n[nH]1 ZINC000334477346 386160999 /nfs/dbraw/zinc/16/09/99/386160999.db2.gz PZSXIYXGXXSJFM-QWRGUYRKSA-N 1 2 207.277 1.163 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CCO)c2ccco2)cn1 ZINC000346134423 386164021 /nfs/dbraw/zinc/16/40/21/386164021.db2.gz DESSPKCYFGOVGL-LBPRGKRZSA-N 1 2 247.298 1.591 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)nn1 ZINC000414367514 386165085 /nfs/dbraw/zinc/16/50/85/386165085.db2.gz FHHYIDABSCMQFQ-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)nn1 ZINC000414367514 386165089 /nfs/dbraw/zinc/16/50/89/386165089.db2.gz FHHYIDABSCMQFQ-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@@H](CF)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000288097661 386167041 /nfs/dbraw/zinc/16/70/41/386167041.db2.gz RKTUAQWYOVTFOJ-VIFPVBQESA-N 1 2 248.261 1.355 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C)nn1 ZINC000414371106 386169969 /nfs/dbraw/zinc/16/99/69/386169969.db2.gz MCEHWBSMWJFDNR-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C)nn1 ZINC000414371106 386169976 /nfs/dbraw/zinc/16/99/76/386169976.db2.gz MCEHWBSMWJFDNR-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC23CC3)nc1 ZINC000335316767 386173448 /nfs/dbraw/zinc/17/34/48/386173448.db2.gz DLFQOFZRYOSHQN-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC23CC3)nc1 ZINC000335316767 386173452 /nfs/dbraw/zinc/17/34/52/386173452.db2.gz DLFQOFZRYOSHQN-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO CCc1nc(N2CCO[C@H]3C[C@H]32)cc(C)[nH+]1 ZINC000366183793 386173765 /nfs/dbraw/zinc/17/37/65/386173765.db2.gz QSLLJEBWENCIPO-ZJUUUORDSA-N 1 2 219.288 1.325 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000414372922 386179737 /nfs/dbraw/zinc/17/97/37/386179737.db2.gz QNLUMBFFONWCMO-CHWSQXEVSA-N 1 2 247.342 1.792 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000414372922 386179743 /nfs/dbraw/zinc/17/97/43/386179743.db2.gz QNLUMBFFONWCMO-CHWSQXEVSA-N 1 2 247.342 1.792 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC000275108698 386180163 /nfs/dbraw/zinc/18/01/63/386180163.db2.gz FPTVGPINXVPOPE-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC000275108698 386180166 /nfs/dbraw/zinc/18/01/66/386180166.db2.gz FPTVGPINXVPOPE-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO Cc1cnccc1CNC(=O)CCn1cc[nH+]c1 ZINC000275139582 386184425 /nfs/dbraw/zinc/18/44/25/386184425.db2.gz QYRJKYUVGWWFPY-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000275156932 386187757 /nfs/dbraw/zinc/18/77/57/386187757.db2.gz HZCGBSQHCXYGRL-MRVPVSSYSA-N 1 2 247.302 1.319 20 0 BDADLO CC[C@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287501507 386129494 /nfs/dbraw/zinc/12/94/94/386129494.db2.gz LMCPAPXILOFKSR-SNVBAGLBSA-N 1 2 237.303 1.591 20 0 BDADLO CO[C@H](C)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287536099 386131379 /nfs/dbraw/zinc/13/13/79/386131379.db2.gz NXFRIQPCCKDNKP-SECBINFHSA-N 1 2 237.303 1.855 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000647969588 386202572 /nfs/dbraw/zinc/20/25/72/386202572.db2.gz FNHTUVHAKHFMRD-ZDUSSCGKSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000647969588 386202574 /nfs/dbraw/zinc/20/25/74/386202574.db2.gz FNHTUVHAKHFMRD-ZDUSSCGKSA-N 1 2 243.314 1.579 20 0 BDADLO CCC[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264023857 386205483 /nfs/dbraw/zinc/20/54/83/386205483.db2.gz KFVBKAWHAXEWCR-VIFPVBQESA-N 1 2 209.293 1.473 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC(C)(C)C ZINC000264114861 386208451 /nfs/dbraw/zinc/20/84/51/386208451.db2.gz GWNLDGPSALYVEW-UHFFFAOYSA-N 1 2 224.308 1.265 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCCC1(C)C ZINC000264134811 386208926 /nfs/dbraw/zinc/20/89/26/386208926.db2.gz IIBQIOPNMAURBM-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CCOCC[N@H+](CC)[C@H](C)c1nncn1C ZINC000347062257 386209557 /nfs/dbraw/zinc/20/95/57/386209557.db2.gz XIBIXCXNSRFNDX-SNVBAGLBSA-N 1 2 226.324 1.235 20 0 BDADLO CCOCC[N@@H+](CC)[C@H](C)c1nncn1C ZINC000347062257 386209562 /nfs/dbraw/zinc/20/95/62/386209562.db2.gz XIBIXCXNSRFNDX-SNVBAGLBSA-N 1 2 226.324 1.235 20 0 BDADLO CCOCC[N@H+](CC)[C@@H](C)c1nncn1C ZINC000347062256 386209773 /nfs/dbraw/zinc/20/97/73/386209773.db2.gz XIBIXCXNSRFNDX-JTQLQIEISA-N 1 2 226.324 1.235 20 0 BDADLO CCOCC[N@@H+](CC)[C@@H](C)c1nncn1C ZINC000347062256 386209778 /nfs/dbraw/zinc/20/97/78/386209778.db2.gz XIBIXCXNSRFNDX-JTQLQIEISA-N 1 2 226.324 1.235 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOC1CCC1 ZINC000347059933 386210259 /nfs/dbraw/zinc/21/02/59/386210259.db2.gz SEUIKKDTQOOADS-GDLVEWKHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOC1CCC1 ZINC000347059933 386210261 /nfs/dbraw/zinc/21/02/61/386210261.db2.gz SEUIKKDTQOOADS-GDLVEWKHSA-N 1 2 245.388 1.397 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000264118214 386210563 /nfs/dbraw/zinc/21/05/63/386210563.db2.gz UWUJPXMMFKPLIK-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000264118214 386210568 /nfs/dbraw/zinc/21/05/68/386210568.db2.gz UWUJPXMMFKPLIK-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000408360506 386222306 /nfs/dbraw/zinc/22/23/06/386222306.db2.gz VEDAMFDWKYULJI-LSJOCFKGSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000408360506 386222309 /nfs/dbraw/zinc/22/23/09/386222309.db2.gz VEDAMFDWKYULJI-LSJOCFKGSA-N 1 2 236.319 1.142 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOC1CCC1 ZINC000347039720 386225733 /nfs/dbraw/zinc/22/57/33/386225733.db2.gz WQTOQTNFMJNCSV-NSHDSACASA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOC1CCC1 ZINC000347039720 386225739 /nfs/dbraw/zinc/22/57/39/386225739.db2.gz WQTOQTNFMJNCSV-NSHDSACASA-N 1 2 243.347 1.827 20 0 BDADLO O=C(C[N@@H+]1CCCc2occc2C1)NCC1CC1 ZINC000288786270 386231782 /nfs/dbraw/zinc/23/17/82/386231782.db2.gz KSQVQBHAYFUGOF-UHFFFAOYSA-N 1 2 248.326 1.554 20 0 BDADLO O=C(C[N@H+]1CCCc2occc2C1)NCC1CC1 ZINC000288786270 386231788 /nfs/dbraw/zinc/23/17/88/386231788.db2.gz KSQVQBHAYFUGOF-UHFFFAOYSA-N 1 2 248.326 1.554 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000288784308 386232759 /nfs/dbraw/zinc/23/27/59/386232759.db2.gz JLXLCNOSWXEQFA-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000288784308 386232763 /nfs/dbraw/zinc/23/27/63/386232763.db2.gz JLXLCNOSWXEQFA-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO CC[C@@H](NC(=O)CCC(C)=O)c1[nH]cc[nH+]1 ZINC000125176244 386233619 /nfs/dbraw/zinc/23/36/19/386233619.db2.gz GQVIHNKYNXSUQL-SECBINFHSA-N 1 2 223.276 1.346 20 0 BDADLO COCc1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000180185515 386239308 /nfs/dbraw/zinc/23/93/08/386239308.db2.gz QCSNMBFTIIFAOB-QMMMGPOBSA-N 1 2 243.332 1.153 20 0 BDADLO COCc1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000180185515 386239315 /nfs/dbraw/zinc/23/93/15/386239315.db2.gz QCSNMBFTIIFAOB-QMMMGPOBSA-N 1 2 243.332 1.153 20 0 BDADLO Nc1ccc(NC(=O)C(F)(F)C(F)F)c[nH+]1 ZINC000226243026 386242261 /nfs/dbraw/zinc/24/22/61/386242261.db2.gz VWXTVFHMQADYPH-UHFFFAOYSA-N 1 2 237.156 1.503 20 0 BDADLO CCC[C@@](C)([NH2+]CCOC1CCC1)C(=O)OC ZINC000347081787 386242266 /nfs/dbraw/zinc/24/22/66/386242266.db2.gz UBEZKDFHTUCRQJ-CYBMUJFWSA-N 1 2 243.347 1.877 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264513729 386244643 /nfs/dbraw/zinc/24/46/43/386244643.db2.gz YMQHSYMSUZFQDF-MRVPVSSYSA-N 1 2 227.333 1.035 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000408362073 386245963 /nfs/dbraw/zinc/24/59/63/386245963.db2.gz LKOAJAPWKOPOAN-QWHCGFSZSA-N 1 2 243.310 1.623 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCn1cncn1 ZINC000264559463 386249735 /nfs/dbraw/zinc/24/97/35/386249735.db2.gz UKYLEBGJDXAYGF-UHFFFAOYSA-N 1 2 231.259 1.010 20 0 BDADLO Cn1ccc(C[N@H+](C)CCC(F)(F)F)n1 ZINC000336645055 386252095 /nfs/dbraw/zinc/25/20/95/386252095.db2.gz HNUNJLIHSJMIIA-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO Cn1ccc(C[N@@H+](C)CCC(F)(F)F)n1 ZINC000336645055 386252100 /nfs/dbraw/zinc/25/21/00/386252100.db2.gz HNUNJLIHSJMIIA-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO COCc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000264613418 386254264 /nfs/dbraw/zinc/25/42/64/386254264.db2.gz OPTHWJSPQVPCGB-UHFFFAOYSA-N 1 2 244.254 1.455 20 0 BDADLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000275232521 386194105 /nfs/dbraw/zinc/19/41/05/386194105.db2.gz WADDZOPQANQORJ-MRVPVSSYSA-N 1 2 249.270 1.640 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCOC1CCC1)C(=O)OC ZINC000347198383 386281326 /nfs/dbraw/zinc/28/13/26/386281326.db2.gz LLVPSWFEPRCUTE-CMPLNLGQSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C(=O)OC ZINC000393695461 386281436 /nfs/dbraw/zinc/28/14/36/386281436.db2.gz PDVJBFZWEWBQAD-SECBINFHSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOC1CCC1)C(=O)OC ZINC000347198384 386281776 /nfs/dbraw/zinc/28/17/76/386281776.db2.gz LLVPSWFEPRCUTE-JQWIXIFHSA-N 1 2 243.347 1.733 20 0 BDADLO COc1ccncc1C[NH2+][C@H](C)c1ccon1 ZINC000347215017 386288304 /nfs/dbraw/zinc/28/83/04/386288304.db2.gz XUDFPQKSIPUMNK-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO CCCc1noc(C[N@H+](CC)CCOC)n1 ZINC000336667611 386295058 /nfs/dbraw/zinc/29/50/58/386295058.db2.gz GQUGQPMQNJESNR-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCCc1noc(C[N@@H+](CC)CCOC)n1 ZINC000336667611 386295064 /nfs/dbraw/zinc/29/50/64/386295064.db2.gz GQUGQPMQNJESNR-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336668009 386296248 /nfs/dbraw/zinc/29/62/48/386296248.db2.gz QQVLXNCYEDPUGE-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336668009 386296250 /nfs/dbraw/zinc/29/62/50/386296250.db2.gz QQVLXNCYEDPUGE-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO CCc1cnc(NCc2c[nH+]cn2CC)s1 ZINC000416428311 386303275 /nfs/dbraw/zinc/30/32/75/386303275.db2.gz TZSZNDSVGHLAPB-UHFFFAOYSA-N 1 2 236.344 1.956 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000276335208 386304724 /nfs/dbraw/zinc/30/47/24/386304724.db2.gz HLFLYZNZPMHZPP-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ccc(F)cn1 ZINC000276335208 386304729 /nfs/dbraw/zinc/30/47/29/386304729.db2.gz HLFLYZNZPMHZPP-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCCCOCC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425519253 386307851 /nfs/dbraw/zinc/30/78/51/386307851.db2.gz OJCXGYMWKVGIQA-UHFFFAOYSA-N 1 2 228.336 1.315 20 0 BDADLO CCCCOCC[N@H+]1CCN(C(=O)CC)C1 ZINC000425519253 386307858 /nfs/dbraw/zinc/30/78/58/386307858.db2.gz OJCXGYMWKVGIQA-UHFFFAOYSA-N 1 2 228.336 1.315 20 0 BDADLO CC(C)(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347270140 386311358 /nfs/dbraw/zinc/31/13/58/386311358.db2.gz AIFXNJPXPMKEMM-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1nc(C2CC2)c[nH]1 ZINC000289464491 386311757 /nfs/dbraw/zinc/31/17/57/386311757.db2.gz WQLOZOFCSQKOFS-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(O)c1 ZINC000339236033 386312244 /nfs/dbraw/zinc/31/22/44/386312244.db2.gz TXAHWLPNQLKGOH-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC(CO)CC2)s1 ZINC000347282417 386318488 /nfs/dbraw/zinc/31/84/88/386318488.db2.gz HUBTWXAZACGYHD-MRVPVSSYSA-N 1 2 241.360 1.612 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000414391439 386264257 /nfs/dbraw/zinc/26/42/57/386264257.db2.gz BCOPEQMLWWUPHM-UHFFFAOYSA-N 1 2 247.342 1.794 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000414391439 386264260 /nfs/dbraw/zinc/26/42/60/386264260.db2.gz BCOPEQMLWWUPHM-UHFFFAOYSA-N 1 2 247.342 1.794 20 0 BDADLO CCC1(NC(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000297609254 386266773 /nfs/dbraw/zinc/26/67/73/386266773.db2.gz FEJDGKPHGLVLAR-UHFFFAOYSA-N 1 2 249.314 1.832 20 0 BDADLO CC[C@@H](CO)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000297739436 386274870 /nfs/dbraw/zinc/27/48/70/386274870.db2.gz KWGOHOZIBGYGDN-JTQLQIEISA-N 1 2 237.303 1.625 20 0 BDADLO C[C@@H](C1CCC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339176745 386277606 /nfs/dbraw/zinc/27/76/06/386277606.db2.gz LBQQLDQWTMHPCQ-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC=CCC1 ZINC000265443103 386339580 /nfs/dbraw/zinc/33/95/80/386339580.db2.gz LBTCRFYFIHTVNP-LLVKDONJSA-N 1 2 219.288 1.498 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347347958 386343170 /nfs/dbraw/zinc/34/31/70/386343170.db2.gz JTNHBEHOEHXQQP-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@](C)(F)C1 ZINC000347347958 386343175 /nfs/dbraw/zinc/34/31/75/386343175.db2.gz JTNHBEHOEHXQQP-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO CN(c1nc(N)c2ccccc2[nH+]1)[C@@H]1CCOC1 ZINC000133734041 386343595 /nfs/dbraw/zinc/34/35/95/386343595.db2.gz QFNYNHUPINOLTL-SECBINFHSA-N 1 2 244.298 1.437 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cnn(C)n1 ZINC000289746543 386350017 /nfs/dbraw/zinc/35/00/17/386350017.db2.gz IOYMIFMNMAKLEE-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cnn(C)n1 ZINC000289746543 386350029 /nfs/dbraw/zinc/35/00/29/386350029.db2.gz IOYMIFMNMAKLEE-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000334493102 386350049 /nfs/dbraw/zinc/35/00/49/386350049.db2.gz CUSDSSFAUCZUGB-JQWIXIFHSA-N 1 2 231.299 1.828 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2csnn2)[C@H](C)C1 ZINC000336688262 386352150 /nfs/dbraw/zinc/35/21/50/386352150.db2.gz LLCUQOIPUUEFDO-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2csnn2)[C@H](C)C1 ZINC000336688262 386352155 /nfs/dbraw/zinc/35/21/55/386352155.db2.gz LLCUQOIPUUEFDO-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CSCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276628043 386356038 /nfs/dbraw/zinc/35/60/38/386356038.db2.gz PCJKJVOWRFUMII-SNVBAGLBSA-N 1 2 241.360 1.976 20 0 BDADLO Cc1cn2cc(NC(=O)NC3CC3)ccc2[nH+]1 ZINC000265689660 386359360 /nfs/dbraw/zinc/35/93/60/386359360.db2.gz FCXHZPORRHUZCV-UHFFFAOYSA-N 1 2 230.271 1.927 20 0 BDADLO CCN(CC(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276654469 386360111 /nfs/dbraw/zinc/36/01/11/386360111.db2.gz XCHYTAQTPRGKPK-AATRIKPKSA-N 1 2 221.304 1.927 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000336691737 386362130 /nfs/dbraw/zinc/36/21/30/386362130.db2.gz BZJRXPHRAAGHRO-VIFPVBQESA-N 1 2 240.376 1.979 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cc1nsc(N(C)C)n1 ZINC000336691737 386362135 /nfs/dbraw/zinc/36/21/35/386362135.db2.gz BZJRXPHRAAGHRO-VIFPVBQESA-N 1 2 240.376 1.979 20 0 BDADLO CC[C@@H](CNC(=O)Nc1cc[nH+]c(C)c1)OC ZINC000289838638 386362449 /nfs/dbraw/zinc/36/24/49/386362449.db2.gz BQIKAFKNZPHYFZ-NSHDSACASA-N 1 2 237.303 1.937 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)CC1CC1 ZINC000298601352 386362990 /nfs/dbraw/zinc/36/29/90/386362990.db2.gz GLVKMTPHNNXVSU-UHFFFAOYSA-N 1 2 219.288 1.886 20 0 BDADLO C[C@@]1([NH2+]Cc2cccc3[nH]ccc32)CCOC1=O ZINC000289907545 386369913 /nfs/dbraw/zinc/36/99/13/386369913.db2.gz UNGVQULBDAEUGN-CQSZACIVSA-N 1 2 244.294 1.963 20 0 BDADLO CCN(CC)C(=O)CCc1c[nH+]cn1C ZINC000276734713 386369991 /nfs/dbraw/zinc/36/99/91/386369991.db2.gz UFPFOUJWYLPEII-UHFFFAOYSA-N 1 2 209.293 1.221 20 0 BDADLO COC[C@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000265819765 386372372 /nfs/dbraw/zinc/37/23/72/386372372.db2.gz NNZKPCNIOSTVFK-JTQLQIEISA-N 1 2 237.303 1.163 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC(F)(F)F)[nH+]1 ZINC000347382546 386372884 /nfs/dbraw/zinc/37/28/84/386372884.db2.gz KQCADCLUNRBAOG-UHFFFAOYSA-N 1 2 249.240 1.032 20 0 BDADLO Cc1nc(NCCC(F)(F)F)nc(N(C)C)[nH+]1 ZINC000347382546 386372886 /nfs/dbraw/zinc/37/28/86/386372886.db2.gz KQCADCLUNRBAOG-UHFFFAOYSA-N 1 2 249.240 1.032 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1F)CC1OCCO1 ZINC000265831336 386375269 /nfs/dbraw/zinc/37/52/69/386375269.db2.gz CLIODNZTHCFSGX-UHFFFAOYSA-N 1 2 243.253 1.770 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1F)CC1OCCO1 ZINC000265831336 386375273 /nfs/dbraw/zinc/37/52/73/386375273.db2.gz CLIODNZTHCFSGX-UHFFFAOYSA-N 1 2 243.253 1.770 20 0 BDADLO CC(C)(C)CC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336245925 386376530 /nfs/dbraw/zinc/37/65/30/386376530.db2.gz VVKCSDLHTYWDTH-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CC(C)(C)CC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000336245925 386376536 /nfs/dbraw/zinc/37/65/36/386376536.db2.gz VVKCSDLHTYWDTH-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CC(C)(C)CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000336245925 386376542 /nfs/dbraw/zinc/37/65/42/386376542.db2.gz VVKCSDLHTYWDTH-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CC(C)(C)CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000336245925 386376546 /nfs/dbraw/zinc/37/65/46/386376546.db2.gz VVKCSDLHTYWDTH-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NCC(C)C)CC2 ZINC000367822164 386381099 /nfs/dbraw/zinc/38/10/99/386381099.db2.gz PXAVOGGBSBLZCH-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO Cc1cc(N2CN(C)C(=O)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000645397224 386382386 /nfs/dbraw/zinc/38/23/86/386382386.db2.gz OFRBLIQFTGDSGH-VIFPVBQESA-N 1 2 246.314 1.287 20 0 BDADLO CC[N@H+](CCCO)Cc1csc(COC)n1 ZINC000336677285 386328922 /nfs/dbraw/zinc/32/89/22/386328922.db2.gz NONHJDLRFPCBHX-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO CC[N@@H+](CCCO)Cc1csc(COC)n1 ZINC000336677285 386328927 /nfs/dbraw/zinc/32/89/27/386328927.db2.gz NONHJDLRFPCBHX-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO C[C@@]1([NH2+]CC[C@@H](O)c2ccccc2)CCOC1=O ZINC000298363210 386329507 /nfs/dbraw/zinc/32/95/07/386329507.db2.gz NEUFQTXOEOTIDN-TZMCWYRMSA-N 1 2 249.310 1.405 20 0 BDADLO CCCCOCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265360229 386329631 /nfs/dbraw/zinc/32/96/31/386329631.db2.gz AWQDAVYQYCLRPW-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000336716164 386443316 /nfs/dbraw/zinc/44/33/16/386443316.db2.gz SVXRIXAFXJFUKU-NSHDSACASA-N 1 2 235.331 1.378 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000336716164 386443321 /nfs/dbraw/zinc/44/33/21/386443321.db2.gz SVXRIXAFXJFUKU-NSHDSACASA-N 1 2 235.331 1.378 20 0 BDADLO Nc1ccc(NC(=O)CC2CCOCC2)c[nH+]1 ZINC000238133214 386444230 /nfs/dbraw/zinc/44/42/30/386444230.db2.gz NYOXZOSWCOSPEB-UHFFFAOYSA-N 1 2 235.287 1.419 20 0 BDADLO c1cc(C[N@H+](Cc2cccnc2)C2CC2)n[nH]1 ZINC000290073289 386390860 /nfs/dbraw/zinc/39/08/60/386390860.db2.gz QEKZWEMRHFNLAE-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO c1cc(C[N@@H+](Cc2cccnc2)C2CC2)n[nH]1 ZINC000290073289 386390863 /nfs/dbraw/zinc/39/08/63/386390863.db2.gz QEKZWEMRHFNLAE-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000336703881 386392502 /nfs/dbraw/zinc/39/25/02/386392502.db2.gz OVZMLDNZQMMKFH-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000336703881 386392508 /nfs/dbraw/zinc/39/25/08/386392508.db2.gz OVZMLDNZQMMKFH-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO CCN(C[C@@H]1CCCO1)c1cc[nH+]c(C)n1 ZINC000266120348 386400202 /nfs/dbraw/zinc/40/02/02/386400202.db2.gz MGMVZJNZINQLLN-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO C[C@@H](CO)CSc1[nH+]cnc2[nH]ccc21 ZINC000266120580 386400695 /nfs/dbraw/zinc/40/06/95/386400695.db2.gz MNSVJFWIFGYUQZ-ZETCQYMHSA-N 1 2 223.301 1.678 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1ccncc1 ZINC000290208447 386406311 /nfs/dbraw/zinc/40/63/11/386406311.db2.gz DQTFHINZUVNOEZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1ccncc1 ZINC000290208447 386406315 /nfs/dbraw/zinc/40/63/15/386406315.db2.gz DQTFHINZUVNOEZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000237903079 386421990 /nfs/dbraw/zinc/42/19/90/386421990.db2.gz XFJKNZODWMZZOW-YUMQZZPRSA-N 1 2 245.286 1.024 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)nn1C ZINC000336712986 386429145 /nfs/dbraw/zinc/42/91/45/386429145.db2.gz SERNUUPSQYOXNK-CHWSQXEVSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)nn1C ZINC000336712986 386429150 /nfs/dbraw/zinc/42/91/50/386429150.db2.gz SERNUUPSQYOXNK-CHWSQXEVSA-N 1 2 235.331 1.482 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000277405415 386433200 /nfs/dbraw/zinc/43/32/00/386433200.db2.gz HIMZKSIHRVGTBK-DTWKUNHWSA-N 1 2 241.360 1.975 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000336712206 386435537 /nfs/dbraw/zinc/43/55/37/386435537.db2.gz OBDAYFWZHPKPRB-DTWKUNHWSA-N 1 2 243.307 1.244 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)C[C@H](C)OC)n1 ZINC000336712206 386435542 /nfs/dbraw/zinc/43/55/42/386435542.db2.gz OBDAYFWZHPKPRB-DTWKUNHWSA-N 1 2 243.307 1.244 20 0 BDADLO CC1(O)C[NH+](Cc2[nH]nc3ccccc32)C1 ZINC000639254460 386469031 /nfs/dbraw/zinc/46/90/31/386469031.db2.gz VQRWUVMPKJZQDN-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2CC[C@H](O)CC2)c1Cl ZINC000277831069 386469425 /nfs/dbraw/zinc/46/94/25/386469425.db2.gz POIFZDXHAKAXKA-LJGSYFOKSA-N 1 2 242.710 1.428 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2CC[C@H](O)CC2)c1Cl ZINC000277831069 386469431 /nfs/dbraw/zinc/46/94/31/386469431.db2.gz POIFZDXHAKAXKA-LJGSYFOKSA-N 1 2 242.710 1.428 20 0 BDADLO CCCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000290713816 386469925 /nfs/dbraw/zinc/46/99/25/386469925.db2.gz UHLKJQDQXQEIGP-UHFFFAOYSA-N 1 2 236.319 1.599 20 0 BDADLO CCc1n[nH]cc1C(=O)Nc1c[nH+]ccc1OC ZINC000299594775 386471229 /nfs/dbraw/zinc/47/12/29/386471229.db2.gz UHWOJHCFWNMUJZ-UHFFFAOYSA-N 1 2 246.270 1.628 20 0 BDADLO CC(C)(C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000290759034 386472530 /nfs/dbraw/zinc/47/25/30/386472530.db2.gz ZDGLUQLZENTGMV-UHFFFAOYSA-N 1 2 222.292 1.207 20 0 BDADLO CC[N@H+](CCO)Cc1nccn1C(C)C ZINC000299612338 386472700 /nfs/dbraw/zinc/47/27/00/386472700.db2.gz OQFMDJMHZNCDHI-UHFFFAOYSA-N 1 2 211.309 1.278 20 0 BDADLO CC[N@@H+](CCO)Cc1nccn1C(C)C ZINC000299612338 386472709 /nfs/dbraw/zinc/47/27/09/386472709.db2.gz OQFMDJMHZNCDHI-UHFFFAOYSA-N 1 2 211.309 1.278 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3[nH]ncc3C)C2)c1 ZINC000290789196 386474594 /nfs/dbraw/zinc/47/45/94/386474594.db2.gz DLHZWXUGSYAPBT-LBPRGKRZSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3[nH]ncc3C)C2)c1 ZINC000290789196 386474595 /nfs/dbraw/zinc/47/45/95/386474595.db2.gz DLHZWXUGSYAPBT-LBPRGKRZSA-N 1 2 245.330 1.670 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339562693 386475467 /nfs/dbraw/zinc/47/54/67/386475467.db2.gz HNWSYKWZGCMTTD-IUCAKERBSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1occc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339562693 386475472 /nfs/dbraw/zinc/47/54/72/386475472.db2.gz HNWSYKWZGCMTTD-IUCAKERBSA-N 1 2 223.272 1.906 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339560520 386475972 /nfs/dbraw/zinc/47/59/72/386475972.db2.gz CIMKFYVURWZAIG-DJLDLDEBSA-N 1 2 225.292 1.617 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339560520 386475978 /nfs/dbraw/zinc/47/59/78/386475978.db2.gz CIMKFYVURWZAIG-DJLDLDEBSA-N 1 2 225.292 1.617 20 0 BDADLO CC(C)CCNC(=O)CCn1cc[nH+]c1 ZINC000299654514 386477041 /nfs/dbraw/zinc/47/70/41/386477041.db2.gz ODNKTGWTWODCPY-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339564365 386478826 /nfs/dbraw/zinc/47/88/26/386478826.db2.gz UVGHRUDAQCXMLA-CIUDSAMLSA-N 1 2 225.292 1.617 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339564365 386478830 /nfs/dbraw/zinc/47/88/30/386478830.db2.gz UVGHRUDAQCXMLA-CIUDSAMLSA-N 1 2 225.292 1.617 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290863456 386481179 /nfs/dbraw/zinc/48/11/79/386481179.db2.gz BSXOXUHQLDBWEL-NEPJUHHUSA-N 1 2 233.315 1.517 20 0 BDADLO O=C(c1ccc(F)cn1)N1CCn2c[nH+]cc2C1 ZINC000290884346 386484259 /nfs/dbraw/zinc/48/42/59/386484259.db2.gz FBCMNRWGACNGDO-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339580581 386484690 /nfs/dbraw/zinc/48/46/90/386484690.db2.gz IOMCCDQKJXRAFU-ZJUUUORDSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339580581 386484698 /nfs/dbraw/zinc/48/46/98/386484698.db2.gz IOMCCDQKJXRAFU-ZJUUUORDSA-N 1 2 208.309 1.528 20 0 BDADLO Cc1cnccc1C[N@H+](C)Cc1cnccn1 ZINC000528396528 386529140 /nfs/dbraw/zinc/52/91/40/386529140.db2.gz IQIVKDXIMGUPKX-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cnccc1C[N@@H+](C)Cc1cnccn1 ZINC000528396528 386529148 /nfs/dbraw/zinc/52/91/48/386529148.db2.gz IQIVKDXIMGUPKX-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CO[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000340647861 386487309 /nfs/dbraw/zinc/48/73/09/386487309.db2.gz SXSGIUCMBOWWSB-SSDOTTSWSA-N 1 2 222.248 1.101 20 0 BDADLO CCc1[nH]ccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290975749 386494693 /nfs/dbraw/zinc/49/46/93/386494693.db2.gz UTQCOGOYLDJVNZ-UHFFFAOYSA-N 1 2 244.298 1.430 20 0 BDADLO O=C(COC1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000290988184 386496465 /nfs/dbraw/zinc/49/64/65/386496465.db2.gz WTZGRUHGGGZYNX-UHFFFAOYSA-N 1 2 249.314 1.185 20 0 BDADLO Cc1ocnc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000267125094 386497871 /nfs/dbraw/zinc/49/78/71/386497871.db2.gz OITQPQWPUICNBL-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO C[NH+](C)Cc1nc(Cc2cccnc2)no1 ZINC000278193846 386499929 /nfs/dbraw/zinc/49/99/29/386499929.db2.gz VDCWGCZHUXJEJG-UHFFFAOYSA-N 1 2 218.260 1.117 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)[C@@H]1SC ZINC000336776223 386501663 /nfs/dbraw/zinc/50/16/63/386501663.db2.gz FDZKRBWLMMBIOO-QEYWKRMJSA-N 1 2 247.360 1.047 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000267137530 386501950 /nfs/dbraw/zinc/50/19/50/386501950.db2.gz NELUKNFKVUYPNI-QMMMGPOBSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000267166260 386505091 /nfs/dbraw/zinc/50/50/91/386505091.db2.gz TZMLXSBZOXQYDK-SNVBAGLBSA-N 1 2 243.310 1.997 20 0 BDADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cn(C)nn1 ZINC000336783924 386509022 /nfs/dbraw/zinc/50/90/22/386509022.db2.gz ISSIWZUALAVYHV-CYBMUJFWSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336783924 386509025 /nfs/dbraw/zinc/50/90/25/386509025.db2.gz ISSIWZUALAVYHV-CYBMUJFWSA-N 1 2 245.330 1.793 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)no1 ZINC000335446773 386512887 /nfs/dbraw/zinc/51/28/87/386512887.db2.gz LCDFDTMPAQRSQH-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)no1 ZINC000335446773 386512894 /nfs/dbraw/zinc/51/28/94/386512894.db2.gz LCDFDTMPAQRSQH-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000291186374 386521679 /nfs/dbraw/zinc/52/16/79/386521679.db2.gz OTPCUNBHXSRQKY-NWDGAFQWSA-N 1 2 228.299 1.793 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000291186374 386521687 /nfs/dbraw/zinc/52/16/87/386521687.db2.gz OTPCUNBHXSRQKY-NWDGAFQWSA-N 1 2 228.299 1.793 20 0 BDADLO CCC1(O)CC[NH+](Cc2cscn2)CC1 ZINC000266581808 386453305 /nfs/dbraw/zinc/45/33/05/386453305.db2.gz IERFBEAAGWJKDC-UHFFFAOYSA-N 1 2 226.345 1.880 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2[nH]ncc2C)C1 ZINC000290561567 386453632 /nfs/dbraw/zinc/45/36/32/386453632.db2.gz XQVRTSXFAYCXRX-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000290561567 386453638 /nfs/dbraw/zinc/45/36/38/386453638.db2.gz XQVRTSXFAYCXRX-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO CCCc1nc(C[NH2+][C@H](C)[C@@H]2CCCO2)no1 ZINC000183153798 386454504 /nfs/dbraw/zinc/45/45/04/386454504.db2.gz MKXKEKRSYSYDMR-ZJUUUORDSA-N 1 2 239.319 1.679 20 0 BDADLO CC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000335410204 386574328 /nfs/dbraw/zinc/57/43/28/386574328.db2.gz YNQCXSHKDHVWKU-UHFFFAOYSA-N 1 2 234.347 1.924 20 0 BDADLO Cn1cc[nH+]c1CN1CC2CC1(C(F)(F)F)C2 ZINC000335413760 386580629 /nfs/dbraw/zinc/58/06/29/386580629.db2.gz ZVOAONKSPIBCOL-UHFFFAOYSA-N 1 2 245.248 1.947 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000414457891 386580857 /nfs/dbraw/zinc/58/08/57/386580857.db2.gz VPMSXNKHTVCTTO-ZDUSSCGKSA-N 1 2 249.310 1.768 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000414457891 386580866 /nfs/dbraw/zinc/58/08/66/386580866.db2.gz VPMSXNKHTVCTTO-ZDUSSCGKSA-N 1 2 249.310 1.768 20 0 BDADLO c1c[nH+]c(COCCN2CCc3ccccc32)[nH]1 ZINC000291787509 386581999 /nfs/dbraw/zinc/58/19/99/386581999.db2.gz AEXMIYSXTUWMLU-UHFFFAOYSA-N 1 2 243.310 1.989 20 0 BDADLO CC(=O)c1cccc(NC(=O)C[NH+](C)C)c1 ZINC000014218176 386584374 /nfs/dbraw/zinc/58/43/74/386584374.db2.gz XIACJPNGPWJLHJ-UHFFFAOYSA-N 1 2 220.272 1.389 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cscc2Cl)C1 ZINC000648050471 386585710 /nfs/dbraw/zinc/58/57/10/386585710.db2.gz MXLGAAVEICSQNS-UHFFFAOYSA-N 1 2 244.747 1.709 20 0 BDADLO C[C@@H](C[S@@](C)=O)N(C)c1cccc[nH+]1 ZINC000278857176 386596232 /nfs/dbraw/zinc/59/62/32/386596232.db2.gz XZIUWIGUGUKYPQ-LKFCYVNXSA-N 1 2 212.318 1.285 20 0 BDADLO O=C(CCc1ccco1)Nc1cc[nH+]cc1O ZINC000336890651 386541922 /nfs/dbraw/zinc/54/19/22/386541922.db2.gz HWJYBXYFWMOVRT-UHFFFAOYSA-N 1 2 232.239 1.373 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)CC2(CCC2)O1 ZINC000335465040 386551784 /nfs/dbraw/zinc/55/17/84/386551784.db2.gz ROHFOWMXERTNOD-JTQLQIEISA-N 1 2 221.304 1.553 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC2(CCC2)O1 ZINC000335465040 386551789 /nfs/dbraw/zinc/55/17/89/386551789.db2.gz ROHFOWMXERTNOD-JTQLQIEISA-N 1 2 221.304 1.553 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000519768749 386552327 /nfs/dbraw/zinc/55/23/27/386552327.db2.gz MFMDAGZZSTWDHQ-NSHDSACASA-N 1 2 220.272 1.044 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000519768749 386552335 /nfs/dbraw/zinc/55/23/35/386552335.db2.gz MFMDAGZZSTWDHQ-NSHDSACASA-N 1 2 220.272 1.044 20 0 BDADLO CS[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000335423086 386597240 /nfs/dbraw/zinc/59/72/40/386597240.db2.gz TUSQQBAPKHHLLS-VIFPVBQESA-N 1 2 209.318 1.727 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2CCC=CO2)no1 ZINC000278629505 386558010 /nfs/dbraw/zinc/55/80/10/386558010.db2.gz GRBHRXSPWXGEQG-JTQLQIEISA-N 1 2 237.303 1.895 20 0 BDADLO Cn1nc(C2CC2)nc1C[NH+]1CCCC1 ZINC000335406528 386566860 /nfs/dbraw/zinc/56/68/60/386566860.db2.gz FEYPDFULRVGKNN-UHFFFAOYSA-N 1 2 206.293 1.288 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccnn1C(C)C ZINC000278682186 386567774 /nfs/dbraw/zinc/56/77/74/386567774.db2.gz QJSMLHVJSJRUFG-UHFFFAOYSA-N 1 2 247.302 1.677 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)CC1 ZINC000278703024 386570879 /nfs/dbraw/zinc/57/08/79/386570879.db2.gz BIIVKQFXESJERE-JTQLQIEISA-N 1 2 235.331 1.909 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)on1 ZINC000335409222 386571468 /nfs/dbraw/zinc/57/14/68/386571468.db2.gz QUULUSUHEQQZSV-NSHDSACASA-N 1 2 240.328 1.383 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)on1 ZINC000335409222 386571474 /nfs/dbraw/zinc/57/14/74/386571474.db2.gz QUULUSUHEQQZSV-NSHDSACASA-N 1 2 240.328 1.383 20 0 BDADLO COc1ncc(Cn2cc[nH+]c2)c(C)n1 ZINC000337152878 386620228 /nfs/dbraw/zinc/62/02/28/386620228.db2.gz LISAIVBVLRUVNI-UHFFFAOYSA-N 1 2 204.233 1.038 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CC12CCC2 ZINC000644920813 386621509 /nfs/dbraw/zinc/62/15/09/386621509.db2.gz TXNXPBFSLQZFAT-NSHDSACASA-N 1 2 246.310 1.897 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000292134840 386624679 /nfs/dbraw/zinc/62/46/79/386624679.db2.gz HFDGYGGYMVCOEJ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000292134840 386624683 /nfs/dbraw/zinc/62/46/83/386624683.db2.gz HFDGYGGYMVCOEJ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000268172563 386629420 /nfs/dbraw/zinc/62/94/20/386629420.db2.gz YECYXUZYBWZMNY-VXGBXAGGSA-N 1 2 233.315 1.532 20 0 BDADLO CCN1CC[N@H+](CCc2ccccn2)[C@H](C)C1=O ZINC000425918775 386632554 /nfs/dbraw/zinc/63/25/54/386632554.db2.gz NHQAMKVNIWVXJV-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@@H+](CCc2ccccn2)[C@H](C)C1=O ZINC000425918775 386632558 /nfs/dbraw/zinc/63/25/58/386632558.db2.gz NHQAMKVNIWVXJV-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000450713245 386632928 /nfs/dbraw/zinc/63/29/28/386632928.db2.gz WPRUKBUFPFEPIL-YNEHKIRRSA-N 1 2 247.342 1.915 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCOC(C)(C)C)C1 ZINC000644950158 386637324 /nfs/dbraw/zinc/63/73/24/386637324.db2.gz BBGVDCNYTMZXEN-UHFFFAOYSA-N 1 2 242.363 1.703 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCOC(C)(C)C)C1 ZINC000644950158 386637329 /nfs/dbraw/zinc/63/73/29/386637329.db2.gz BBGVDCNYTMZXEN-UHFFFAOYSA-N 1 2 242.363 1.703 20 0 BDADLO CC(C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279126354 386637511 /nfs/dbraw/zinc/63/75/11/386637511.db2.gz DMHBRCHCULWUJZ-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)ncn1 ZINC000292243915 386638116 /nfs/dbraw/zinc/63/81/16/386638116.db2.gz TVVHIMFJDSEPEE-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)ncn1 ZINC000292243915 386638119 /nfs/dbraw/zinc/63/81/19/386638119.db2.gz TVVHIMFJDSEPEE-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[NH+]2CC(O)(C(F)F)C2)s1 ZINC000335512632 386648122 /nfs/dbraw/zinc/64/81/22/386648122.db2.gz KPABGAWWRJAWEH-UHFFFAOYSA-N 1 2 233.283 1.868 20 0 BDADLO CCN(CC(C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279202686 386649522 /nfs/dbraw/zinc/64/95/22/386649522.db2.gz MXIWRGDJPHRCTH-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1ccon1 ZINC000268426569 386652322 /nfs/dbraw/zinc/65/23/22/386652322.db2.gz DWOKUJVMUZHIDI-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1ccon1 ZINC000268426569 386652331 /nfs/dbraw/zinc/65/23/31/386652331.db2.gz DWOKUJVMUZHIDI-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1C[C@H]1C ZINC000278901117 386603928 /nfs/dbraw/zinc/60/39/28/386603928.db2.gz PRVYWAKYNYDSEL-VXNVDRBHSA-N 1 2 207.277 1.033 20 0 BDADLO Cc1nonc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000267965659 386605202 /nfs/dbraw/zinc/60/52/02/386605202.db2.gz ALYVTOZDAPFABP-UHFFFAOYSA-N 1 2 232.243 1.642 20 0 BDADLO CO[C@H]1CCN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000268032134 386611442 /nfs/dbraw/zinc/61/14/42/386611442.db2.gz ONGFBIJVGGPRFX-NSHDSACASA-N 1 2 249.314 1.951 20 0 BDADLO Cc1ccc(NC(=O)NC[C@@H]2CCOC2)c(C)[nH+]1 ZINC000268036003 386613242 /nfs/dbraw/zinc/61/32/42/386613242.db2.gz QHDGNBRUOLXOQQ-NSHDSACASA-N 1 2 249.314 1.856 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C[C@@H](O)C1CC1 ZINC000644925152 386615431 /nfs/dbraw/zinc/61/54/31/386615431.db2.gz VIQARYOJVVWTAP-SSDOTTSWSA-N 1 2 247.245 1.210 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C[C@@H](O)C1CC1 ZINC000644925152 386615436 /nfs/dbraw/zinc/61/54/36/386615436.db2.gz VIQARYOJVVWTAP-SSDOTTSWSA-N 1 2 247.245 1.210 20 0 BDADLO O=C(CC1CC1)NCc1ccn2cc[nH+]c2c1 ZINC000268529741 386659254 /nfs/dbraw/zinc/65/92/54/386659254.db2.gz PUZGLNAYSWTFNY-UHFFFAOYSA-N 1 2 229.283 1.751 20 0 BDADLO Cc1ccc(Cc2nc([C@@H]3CCOC3)no2)c[nH+]1 ZINC000120478033 386659683 /nfs/dbraw/zinc/65/96/83/386659683.db2.gz UKSWZUWYVHKCRL-LLVKDONJSA-N 1 2 245.282 1.868 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335521484 386662436 /nfs/dbraw/zinc/66/24/36/386662436.db2.gz ZROKKJOCDRCHCQ-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335521484 386662441 /nfs/dbraw/zinc/66/24/41/386662441.db2.gz ZROKKJOCDRCHCQ-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000292398740 386662626 /nfs/dbraw/zinc/66/26/26/386662626.db2.gz SZCBGLYTIFUPHI-JTQLQIEISA-N 1 2 236.315 1.687 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000292398740 386662636 /nfs/dbraw/zinc/66/26/36/386662636.db2.gz SZCBGLYTIFUPHI-JTQLQIEISA-N 1 2 236.315 1.687 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)C(=O)OC ZINC000425330998 386662826 /nfs/dbraw/zinc/66/28/26/386662826.db2.gz BJTLQCVVPPHBNK-UTLUCORTSA-N 1 2 231.361 1.812 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn(C)c1 ZINC000268582933 386664387 /nfs/dbraw/zinc/66/43/87/386664387.db2.gz CWPILNKMJSXYRD-SNVBAGLBSA-N 1 2 232.287 1.040 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC1CCOCC1 ZINC000645002187 386665589 /nfs/dbraw/zinc/66/55/89/386665589.db2.gz SLLPEOGXBLJALA-NSHDSACASA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC1CCOCC1 ZINC000645002187 386665590 /nfs/dbraw/zinc/66/55/90/386665590.db2.gz SLLPEOGXBLJALA-NSHDSACASA-N 1 2 249.301 1.505 20 0 BDADLO C[C@@H](CF)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645009950 386667061 /nfs/dbraw/zinc/66/70/61/386667061.db2.gz ZVBWALLQIQHJQX-QMMMGPOBSA-N 1 2 236.250 1.814 20 0 BDADLO C[C@@H]1[N@H+](Cc2ccn(C)n2)CCOC1(C)C ZINC000335524854 386668981 /nfs/dbraw/zinc/66/89/81/386668981.db2.gz HFGVEXACLDEXMF-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1[N@@H+](Cc2ccn(C)n2)CCOC1(C)C ZINC000335524854 386668985 /nfs/dbraw/zinc/66/89/85/386668985.db2.gz HFGVEXACLDEXMF-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO Cc1ccoc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000292442817 386669656 /nfs/dbraw/zinc/66/96/56/386669656.db2.gz RTQOCBROZVVIQT-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CC[C@H](C)C[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000645356944 386672874 /nfs/dbraw/zinc/67/28/74/386672874.db2.gz PVWZUTNBTKFGJE-ONGXEEELSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H](C3CCC3)C2)n1C ZINC000414475499 386657201 /nfs/dbraw/zinc/65/72/01/386657201.db2.gz VBIZZKLLUZQBSA-CYBMUJFWSA-N 1 2 249.358 1.729 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000353216195 386657888 /nfs/dbraw/zinc/65/78/88/386657888.db2.gz DJMBDIPFVREGPC-YUMQZZPRSA-N 1 2 229.349 1.874 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000353216195 386657893 /nfs/dbraw/zinc/65/78/93/386657893.db2.gz DJMBDIPFVREGPC-YUMQZZPRSA-N 1 2 229.349 1.874 20 0 BDADLO CCC[C@@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301914177 386683147 /nfs/dbraw/zinc/68/31/47/386683147.db2.gz URSCHOKGZYBLLT-SECBINFHSA-N 1 2 246.314 1.785 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@](C)(OC)C1(C)C)C(=O)OC ZINC000192854496 386684683 /nfs/dbraw/zinc/68/46/83/386684683.db2.gz CUFABOFNFQRCIC-OPQQBVKSSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H](C[NH2+]CC(F)(F)CN)c1ccccc1 ZINC000414927414 386686098 /nfs/dbraw/zinc/68/60/98/386686098.db2.gz LARNXWIFFCOYJU-SNVBAGLBSA-N 1 2 228.286 1.974 20 0 BDADLO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000450764107 386686534 /nfs/dbraw/zinc/68/65/34/386686534.db2.gz PZNMTQAXARSJCQ-QWRGUYRKSA-N 1 2 240.376 1.959 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@]2(C)CCCO2)n1 ZINC000329541585 386697393 /nfs/dbraw/zinc/69/73/93/386697393.db2.gz DMRNIQAKQFZLRO-GFCCVEGCSA-N 1 2 248.286 1.420 20 0 BDADLO CC[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000192863361 386700548 /nfs/dbraw/zinc/70/05/48/386700548.db2.gz KXCHZQQUALANAF-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cn1 ZINC000391927008 386701541 /nfs/dbraw/zinc/70/15/41/386701541.db2.gz JDMQRLWJBAMNCV-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO c1ncc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)[nH]1 ZINC000247243236 386705186 /nfs/dbraw/zinc/70/51/86/386705186.db2.gz WWZWXCTVDRPSEA-GHMZBOCLSA-N 1 2 239.344 1.116 20 0 BDADLO c1ncc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)[nH]1 ZINC000247243236 386705189 /nfs/dbraw/zinc/70/51/89/386705189.db2.gz WWZWXCTVDRPSEA-GHMZBOCLSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000643394945 386706049 /nfs/dbraw/zinc/70/60/49/386706049.db2.gz UYURQCQOLAHGLV-GXSJLCMTSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000643394945 386706054 /nfs/dbraw/zinc/70/60/54/386706054.db2.gz UYURQCQOLAHGLV-GXSJLCMTSA-N 1 2 247.302 1.583 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCCCCC1)[C@H](C)O ZINC000191958877 386731002 /nfs/dbraw/zinc/73/10/02/386731002.db2.gz LKJMAWGAPQDVEV-ONGXEEELSA-N 1 2 229.320 1.221 20 0 BDADLO CC(C)C1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000357181391 386733474 /nfs/dbraw/zinc/73/34/74/386733474.db2.gz UHJMFIXQBJQYSH-UHFFFAOYSA-N 1 2 221.304 1.578 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000645120706 386733902 /nfs/dbraw/zinc/73/39/02/386733902.db2.gz JNBSEOYPPDJDBM-SDDRHHMPSA-N 1 2 248.330 1.371 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000520634271 386712582 /nfs/dbraw/zinc/71/25/82/386712582.db2.gz NTHGJOSJWOPCPM-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)Cc1ccn(C)c1 ZINC000292721976 386713164 /nfs/dbraw/zinc/71/31/64/386713164.db2.gz FIDGFZYCKMTQMO-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)Cc1ccn(C)c1 ZINC000292721976 386713168 /nfs/dbraw/zinc/71/31/68/386713168.db2.gz FIDGFZYCKMTQMO-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)OC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000526984610 386718419 /nfs/dbraw/zinc/71/84/19/386718419.db2.gz NTMXFSGUFGVOBA-NSHDSACASA-N 1 2 231.311 1.614 20 0 BDADLO CC(C)OC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000526984610 386718421 /nfs/dbraw/zinc/71/84/21/386718421.db2.gz NTMXFSGUFGVOBA-NSHDSACASA-N 1 2 231.311 1.614 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)C[S@](C)=O ZINC000184281950 386719881 /nfs/dbraw/zinc/71/98/81/386719881.db2.gz ZZLQMQIAVITUMD-VQLIFVOLSA-N 1 2 229.349 1.136 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ncccc1O ZINC000526990546 386720347 /nfs/dbraw/zinc/72/03/47/386720347.db2.gz ULMPMBVSTDEKPR-UHFFFAOYSA-N 1 2 232.287 1.293 20 0 BDADLO Cc1nnc(NCCc2[nH]c3ccccc3[nH+]2)o1 ZINC000292756529 386721616 /nfs/dbraw/zinc/72/16/16/386721616.db2.gz KSICQUTWMFACPO-UHFFFAOYSA-N 1 2 243.270 1.909 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000268946204 386722411 /nfs/dbraw/zinc/72/24/11/386722411.db2.gz BIXLHPXCWGLSGT-QWHCGFSZSA-N 1 2 242.326 1.803 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000268946204 386722416 /nfs/dbraw/zinc/72/24/16/386722416.db2.gz BIXLHPXCWGLSGT-QWHCGFSZSA-N 1 2 242.326 1.803 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nn(C)cc1Cl ZINC000335538884 386745463 /nfs/dbraw/zinc/74/54/63/386745463.db2.gz OOKLZVDSAIDVHF-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nn(C)cc1Cl ZINC000335538884 386745468 /nfs/dbraw/zinc/74/54/68/386745468.db2.gz OOKLZVDSAIDVHF-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)no1 ZINC000348527678 386750686 /nfs/dbraw/zinc/75/06/86/386750686.db2.gz IEWRZMGQXODDMP-SFYZADRCSA-N 1 2 247.245 1.628 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2c(C)cnn2C)n1 ZINC000352853927 386750849 /nfs/dbraw/zinc/75/08/49/386750849.db2.gz PQVKBNBSPPIOQF-UHFFFAOYSA-N 1 2 249.318 1.445 20 0 BDADLO C[C@@H]([NH2+]CCF)c1cn(-c2ccccc2)nn1 ZINC000348533994 386753149 /nfs/dbraw/zinc/75/31/49/386753149.db2.gz NDMYBXVXRWFNRP-SNVBAGLBSA-N 1 2 234.278 1.887 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccn2C)n(C)n1 ZINC000417800724 386759580 /nfs/dbraw/zinc/75/95/80/386759580.db2.gz YLOLENUGOVVMQO-UHFFFAOYSA-N 1 2 232.331 1.699 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccn2C)n(C)n1 ZINC000417800724 386759586 /nfs/dbraw/zinc/75/95/86/386759586.db2.gz YLOLENUGOVVMQO-UHFFFAOYSA-N 1 2 232.331 1.699 20 0 BDADLO CCOC(=O)CCSc1nc(N)cc(C)[nH+]1 ZINC000192457083 386769891 /nfs/dbraw/zinc/76/98/91/386769891.db2.gz MLMRCZWYKAOLOM-UHFFFAOYSA-N 1 2 241.316 1.413 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344848675 386761268 /nfs/dbraw/zinc/76/12/68/386761268.db2.gz CNDODOVAOIURBU-NEPJUHHUSA-N 1 2 241.310 1.198 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344848675 386761270 /nfs/dbraw/zinc/76/12/70/386761270.db2.gz CNDODOVAOIURBU-NEPJUHHUSA-N 1 2 241.310 1.198 20 0 BDADLO Cc1cc(NC(=O)N2CCC(F)(F)C2)cc[nH+]1 ZINC000334145157 386741959 /nfs/dbraw/zinc/74/19/59/386741959.db2.gz KFOUSMCZGCJPRL-UHFFFAOYSA-N 1 2 241.241 1.685 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000248733546 386791358 /nfs/dbraw/zinc/79/13/58/386791358.db2.gz KCMHNYJTSNIDQB-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000248733546 386791364 /nfs/dbraw/zinc/79/13/64/386791364.db2.gz KCMHNYJTSNIDQB-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000248767154 386795089 /nfs/dbraw/zinc/79/50/89/386795089.db2.gz RYSWFSLQDOSUQZ-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000248767154 386795095 /nfs/dbraw/zinc/79/50/95/386795095.db2.gz RYSWFSLQDOSUQZ-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1F ZINC000340778093 386770824 /nfs/dbraw/zinc/77/08/24/386770824.db2.gz JEOWPTDQLQIXJH-VHSXEESVSA-N 1 2 225.267 1.280 20 0 BDADLO Cc1nc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)no1 ZINC000191178931 386772561 /nfs/dbraw/zinc/77/25/61/386772561.db2.gz FGNTXPWFNAEZIW-HTQZYQBOSA-N 1 2 225.292 1.112 20 0 BDADLO Cc1cc(C)c(NC(=O)c2cn(C)nn2)c(C)[nH+]1 ZINC000340779966 386772630 /nfs/dbraw/zinc/77/26/30/386772630.db2.gz RLCQCJRUVUCCHZ-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000330990241 386779698 /nfs/dbraw/zinc/77/96/98/386779698.db2.gz HBIBEDHHGZREIT-ZWNOBZJWSA-N 1 2 243.347 1.469 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000330990239 386779966 /nfs/dbraw/zinc/77/99/66/386779966.db2.gz HBIBEDHHGZREIT-GXFFZTMASA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]Cc2cn(C)nn2)s1 ZINC000125186391 386780449 /nfs/dbraw/zinc/78/04/49/386780449.db2.gz WHGOZHYRAAHWPH-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO Cn1ccc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000269380683 386784850 /nfs/dbraw/zinc/78/48/50/386784850.db2.gz PDYSWXGOIUBKGZ-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO Cn1ccc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000269380683 386784856 /nfs/dbraw/zinc/78/48/56/386784856.db2.gz PDYSWXGOIUBKGZ-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn(C)n1)c1ccncc1 ZINC000293462335 386819876 /nfs/dbraw/zinc/81/98/76/386819876.db2.gz DEWVNMOQBSIQET-LBPRGKRZSA-N 1 2 231.303 1.451 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000334772612 386821651 /nfs/dbraw/zinc/82/16/51/386821651.db2.gz YWRKKDLWRQEUNF-NXEZZACHSA-N 1 2 233.315 1.698 20 0 BDADLO Cc1noc([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000344863870 386803412 /nfs/dbraw/zinc/80/34/12/386803412.db2.gz JVCRGKZOODPZJZ-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1noc([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000344863870 386803422 /nfs/dbraw/zinc/80/34/22/386803422.db2.gz JVCRGKZOODPZJZ-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)[C@H](CO)c1ccccc1 ZINC000280583768 386824480 /nfs/dbraw/zinc/82/44/80/386824480.db2.gz XBIKGDLARUKPMW-CYBMUJFWSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)[C@H](CO)c1ccccc1 ZINC000280583768 386824485 /nfs/dbraw/zinc/82/44/85/386824485.db2.gz XBIKGDLARUKPMW-CYBMUJFWSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)[C@H](CO)c1ccccc1 ZINC000280583768 386824491 /nfs/dbraw/zinc/82/44/91/386824491.db2.gz XBIKGDLARUKPMW-CYBMUJFWSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)[C@H](CO)c1ccccc1 ZINC000280583768 386824496 /nfs/dbraw/zinc/82/44/96/386824496.db2.gz XBIKGDLARUKPMW-CYBMUJFWSA-N 1 2 231.299 1.575 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000293390653 386812563 /nfs/dbraw/zinc/81/25/63/386812563.db2.gz KPLOPVKVEFZRLA-BETUJISGSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000293390653 386812568 /nfs/dbraw/zinc/81/25/68/386812568.db2.gz KPLOPVKVEFZRLA-BETUJISGSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1c[nH]cc1C(=O)NCCCn1cc[nH+]c1 ZINC000357613665 386814733 /nfs/dbraw/zinc/81/47/33/386814733.db2.gz NVEBZNGRLNAIJW-UHFFFAOYSA-N 1 2 232.287 1.340 20 0 BDADLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccno1)CCO2 ZINC000280488633 386816088 /nfs/dbraw/zinc/81/60/88/386816088.db2.gz QCAIJHLQENCUOJ-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccno1)CCO2 ZINC000280488633 386816096 /nfs/dbraw/zinc/81/60/96/386816096.db2.gz QCAIJHLQENCUOJ-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330676317 386853152 /nfs/dbraw/zinc/85/31/52/386853152.db2.gz UAOOURVCBUUDRP-WPRPVWTQSA-N 1 2 249.314 1.313 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330676317 386853155 /nfs/dbraw/zinc/85/31/55/386853155.db2.gz UAOOURVCBUUDRP-WPRPVWTQSA-N 1 2 249.314 1.313 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000330175378 386833834 /nfs/dbraw/zinc/83/38/34/386833834.db2.gz JBBPSJXTAWEHHA-PHIMTYICSA-N 1 2 247.298 1.065 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000330175378 386833838 /nfs/dbraw/zinc/83/38/38/386833838.db2.gz JBBPSJXTAWEHHA-PHIMTYICSA-N 1 2 247.298 1.065 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nc([C@H](C)OC)no1 ZINC000330244657 386840210 /nfs/dbraw/zinc/84/02/10/386840210.db2.gz KHZFCLFFGPOGGI-IUCAKERBSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nc([C@H](C)OC)no1 ZINC000330244657 386840211 /nfs/dbraw/zinc/84/02/11/386840211.db2.gz KHZFCLFFGPOGGI-IUCAKERBSA-N 1 2 225.292 1.761 20 0 BDADLO C[C@H]1OCC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000330285493 386846711 /nfs/dbraw/zinc/84/67/11/386846711.db2.gz YYRBMFNVGCYPNO-RKDXNWHRSA-N 1 2 239.319 1.634 20 0 BDADLO CCCc1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000293609277 386848107 /nfs/dbraw/zinc/84/81/07/386848107.db2.gz GLHCQVWIUNHKGL-UHFFFAOYSA-N 1 2 248.286 1.589 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(=O)N(C2CC2)C1 ZINC000425336136 386851636 /nfs/dbraw/zinc/85/16/36/386851636.db2.gz JXXAFTBWEUPOGS-UHFFFAOYSA-N 1 2 248.330 1.228 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ncn(C)n1 ZINC000425344428 386855321 /nfs/dbraw/zinc/85/53/21/386855321.db2.gz TUVVLYQKKMJYGB-DJLDLDEBSA-N 1 2 226.349 1.360 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOCC1CC1 ZINC000357877448 386859050 /nfs/dbraw/zinc/85/90/50/386859050.db2.gz ZUYRFYDKJOJENV-GDLVEWKHSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOCC1CC1 ZINC000357877448 386859055 /nfs/dbraw/zinc/85/90/55/386859055.db2.gz ZUYRFYDKJOJENV-GDLVEWKHSA-N 1 2 245.388 1.254 20 0 BDADLO CC(C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334792997 386861122 /nfs/dbraw/zinc/86/11/22/386861122.db2.gz ZTVWCESYEIXRIT-QMMMGPOBSA-N 1 2 207.277 1.354 20 0 BDADLO CC(C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334792997 386861125 /nfs/dbraw/zinc/86/11/25/386861125.db2.gz ZTVWCESYEIXRIT-QMMMGPOBSA-N 1 2 207.277 1.354 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000335742653 386861690 /nfs/dbraw/zinc/86/16/90/386861690.db2.gz ATNBYMOZVPINIQ-QMMMGPOBSA-N 1 2 249.236 1.385 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000335742653 386861696 /nfs/dbraw/zinc/86/16/96/386861696.db2.gz ATNBYMOZVPINIQ-QMMMGPOBSA-N 1 2 249.236 1.385 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(-c2cccnc2)n1 ZINC000357949843 386870676 /nfs/dbraw/zinc/87/06/76/386870676.db2.gz JTDPHYPBFPQAHS-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO Cc1c[nH+]c(CNc2ccc(CCO)cc2)n1C ZINC000341262900 386870898 /nfs/dbraw/zinc/87/08/98/386870898.db2.gz RJQVVLXTMHHROI-UHFFFAOYSA-N 1 2 245.326 1.875 20 0 BDADLO Cn1nccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000334834712 386874290 /nfs/dbraw/zinc/87/42/90/386874290.db2.gz ZUXQADCEYCOPAQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1nccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000334834712 386874291 /nfs/dbraw/zinc/87/42/91/386874291.db2.gz ZUXQADCEYCOPAQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CC[C@@H](C)C2 ZINC000334835085 386876429 /nfs/dbraw/zinc/87/64/29/386876429.db2.gz CZRKJOQCULIFMV-BXKDBHETSA-N 1 2 210.321 1.733 20 0 BDADLO C[C@H]1OCCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335752605 386878399 /nfs/dbraw/zinc/87/83/99/386878399.db2.gz QYADHISDKKGNCA-GHMZBOCLSA-N 1 2 249.314 1.040 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CCO[C@@H](C)C2 ZINC000334837862 386880378 /nfs/dbraw/zinc/88/03/78/386880378.db2.gz XLXATHFJALIAPN-JOYOIKCWSA-N 1 2 226.320 1.112 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331697293 386884498 /nfs/dbraw/zinc/88/44/98/386884498.db2.gz YOSMOHKAKQVEOS-SNVBAGLBSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)CC2)[nH]1 ZINC000331697293 386884502 /nfs/dbraw/zinc/88/45/02/386884502.db2.gz YOSMOHKAKQVEOS-SNVBAGLBSA-N 1 2 238.335 1.275 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)n(C)n1 ZINC000418009772 386885068 /nfs/dbraw/zinc/88/50/68/386885068.db2.gz FTQJOOWZROOABR-TUAOUCFPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)n(C)n1 ZINC000418009772 386885069 /nfs/dbraw/zinc/88/50/69/386885069.db2.gz FTQJOOWZROOABR-TUAOUCFPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1occc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000334842158 386888126 /nfs/dbraw/zinc/88/81/26/386888126.db2.gz RLSICHNHRUNJNB-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO Cc1occc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000334842158 386888130 /nfs/dbraw/zinc/88/81/30/386888130.db2.gz RLSICHNHRUNJNB-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO Nc1nc(N[C@@H]2CCOC2)[nH+]c2ccccc12 ZINC000301909739 386889114 /nfs/dbraw/zinc/88/91/14/386889114.db2.gz RVZSPDKQCJKOSB-MRVPVSSYSA-N 1 2 230.271 1.413 20 0 BDADLO CC[C@H](CCO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301908505 386889952 /nfs/dbraw/zinc/88/99/52/386889952.db2.gz RJBBDDSHKZSNQH-SECBINFHSA-N 1 2 246.314 1.785 20 0 BDADLO CO[C@@]1(C)C[C@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331744514 386889994 /nfs/dbraw/zinc/88/99/94/386889994.db2.gz BZPAXVSWIDBXNK-CABZTGNLSA-N 1 2 239.319 1.671 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334862402 386917693 /nfs/dbraw/zinc/91/76/93/386917693.db2.gz LHGJBNFLLNOPBW-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334862402 386917697 /nfs/dbraw/zinc/91/76/97/386917697.db2.gz LHGJBNFLLNOPBW-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCCC1CCCC1 ZINC000341570815 386918613 /nfs/dbraw/zinc/91/86/13/386918613.db2.gz VZTCANSEHGFPSO-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCCC1CCCC1 ZINC000341570815 386918617 /nfs/dbraw/zinc/91/86/17/386918617.db2.gz VZTCANSEHGFPSO-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000334848590 386896880 /nfs/dbraw/zinc/89/68/80/386896880.db2.gz MPGUYCXYNNQZHX-QWHCGFSZSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000334848590 386896886 /nfs/dbraw/zinc/89/68/86/386896886.db2.gz MPGUYCXYNNQZHX-QWHCGFSZSA-N 1 2 248.326 1.831 20 0 BDADLO C[C@@H]1C[C@H](COCc2[nH]cc[nH+]2)CCO1 ZINC000341378076 386898021 /nfs/dbraw/zinc/89/80/21/386898021.db2.gz ZKPHHXQAFGBMPA-NXEZZACHSA-N 1 2 210.277 1.741 20 0 BDADLO C[NH2+]Cc1noc([C@H]2C[C@]2(C)C(C)C)n1 ZINC000331818700 386911994 /nfs/dbraw/zinc/91/19/94/386911994.db2.gz YWKAGJHHHZFXDN-LDYMZIIASA-N 1 2 209.293 1.939 20 0 BDADLO Fc1ccc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC000367960713 386920687 /nfs/dbraw/zinc/92/06/87/386920687.db2.gz IPLMRIWAJJVWML-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1ccc(C[N@H+]2CCn3cncc3C2)cn1 ZINC000367960713 386920689 /nfs/dbraw/zinc/92/06/89/386920689.db2.gz IPLMRIWAJJVWML-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO C[C@]12CC[N@H+](Cc3ncccn3)C[C@H]1C2(F)F ZINC000334865215 386921445 /nfs/dbraw/zinc/92/14/45/386921445.db2.gz VFEJZOXXMQLRSP-KOLCDFICSA-N 1 2 239.269 1.954 20 0 BDADLO C[C@]12CC[N@@H+](Cc3ncccn3)C[C@H]1C2(F)F ZINC000334865215 386921451 /nfs/dbraw/zinc/92/14/51/386921451.db2.gz VFEJZOXXMQLRSP-KOLCDFICSA-N 1 2 239.269 1.954 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334866635 386924500 /nfs/dbraw/zinc/92/45/00/386924500.db2.gz ZOFSIRRYLMEROI-JTQLQIEISA-N 1 2 213.252 1.758 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334866635 386924501 /nfs/dbraw/zinc/92/45/01/386924501.db2.gz ZOFSIRRYLMEROI-JTQLQIEISA-N 1 2 213.252 1.758 20 0 BDADLO CS[C@@H](C)CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000358411617 386947478 /nfs/dbraw/zinc/94/74/78/386947478.db2.gz WXFJRXDIBDVXST-VIFPVBQESA-N 1 2 241.360 1.900 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334870962 386930167 /nfs/dbraw/zinc/93/01/67/386930167.db2.gz UBUKPPYWYKPWGY-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO CC[C@H](CSC)NC(=O)CCn1cc[nH+]c1 ZINC000341602327 386931769 /nfs/dbraw/zinc/93/17/69/386931769.db2.gz MLSGPDKOJIRUMA-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO CC[C@@H](CSC)NC(=O)CCn1cc[nH+]c1 ZINC000341602326 386932241 /nfs/dbraw/zinc/93/22/41/386932241.db2.gz MLSGPDKOJIRUMA-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO CCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000331028630 386936575 /nfs/dbraw/zinc/93/65/75/386936575.db2.gz QWOJCJHXYPEGMZ-UHFFFAOYSA-N 1 2 209.293 1.915 20 0 BDADLO CSCCCCC(=O)Nc1cc[nH+]cc1O ZINC000358353225 386939276 /nfs/dbraw/zinc/93/92/76/386939276.db2.gz MQKNYNBVCBPNHX-UHFFFAOYSA-N 1 2 240.328 1.681 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000334878213 386940134 /nfs/dbraw/zinc/94/01/34/386940134.db2.gz TYMXEDMIJREABJ-KGLIPLIRSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000334878213 386940137 /nfs/dbraw/zinc/94/01/37/386940137.db2.gz TYMXEDMIJREABJ-KGLIPLIRSA-N 1 2 247.342 1.862 20 0 BDADLO CC[C@@H](COC)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330983281 386940626 /nfs/dbraw/zinc/94/06/26/386940626.db2.gz KDSKJYFLHNIDCO-VIFPVBQESA-N 1 2 239.319 1.229 20 0 BDADLO CO[C@H](C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302848533 386940747 /nfs/dbraw/zinc/94/07/47/386940747.db2.gz OUJUPZFPVQUCGL-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CO[C@H](C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302848533 386940748 /nfs/dbraw/zinc/94/07/48/386940748.db2.gz OUJUPZFPVQUCGL-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CC(C)(O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302902389 386944765 /nfs/dbraw/zinc/94/47/65/386944765.db2.gz QYXRDGFIXYICLA-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CC(C)(O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302902389 386944773 /nfs/dbraw/zinc/94/47/73/386944773.db2.gz QYXRDGFIXYICLA-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CS[C@H](C)CCC(=O)NCc1[nH+]ccn1C ZINC000358408964 386952597 /nfs/dbraw/zinc/95/25/97/386952597.db2.gz SYPGPJWNFYMRDJ-SECBINFHSA-N 1 2 241.360 1.568 20 0 BDADLO CO[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341716443 386955021 /nfs/dbraw/zinc/95/50/21/386955021.db2.gz HBEZVMSCZRQIPQ-SCZZXKLOSA-N 1 2 237.303 1.022 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@H](O)C(C)C)CC2 ZINC000368390491 386969158 /nfs/dbraw/zinc/96/91/58/386969158.db2.gz ANSIZEYVDPWPQE-NSHDSACASA-N 1 2 223.320 1.024 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@H](O)C(C)C)CC2 ZINC000368390491 386969161 /nfs/dbraw/zinc/96/91/61/386969161.db2.gz ANSIZEYVDPWPQE-NSHDSACASA-N 1 2 223.320 1.024 20 0 BDADLO COC[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332389514 386974403 /nfs/dbraw/zinc/97/44/03/386974403.db2.gz HPZBSQLSBYAXPU-ZJUUUORDSA-N 1 2 237.303 1.356 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC=CCC1 ZINC000334900293 386974848 /nfs/dbraw/zinc/97/48/48/386974848.db2.gz VRCPSFMKAJYZRN-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO CC[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000352966214 386977169 /nfs/dbraw/zinc/97/71/69/386977169.db2.gz CPGOJKSDPYJCNX-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353009012 386986168 /nfs/dbraw/zinc/98/61/68/386986168.db2.gz POYFMJSHGZOLBG-VIFPVBQESA-N 1 2 245.273 1.481 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353009012 386986173 /nfs/dbraw/zinc/98/61/73/386986173.db2.gz POYFMJSHGZOLBG-VIFPVBQESA-N 1 2 245.273 1.481 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)C2(C)C)[nH]1 ZINC000332620313 386995209 /nfs/dbraw/zinc/99/52/09/386995209.db2.gz DWEJDIPKISNPFK-VIFPVBQESA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)C2(C)C)[nH]1 ZINC000332620313 386995215 /nfs/dbraw/zinc/99/52/15/386995215.db2.gz DWEJDIPKISNPFK-VIFPVBQESA-N 1 2 238.335 1.273 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000332631698 386996426 /nfs/dbraw/zinc/99/64/26/386996426.db2.gz IHXMYCMRRGBNOG-LBPRGKRZSA-N 1 2 238.335 1.275 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000332631698 386996430 /nfs/dbraw/zinc/99/64/30/386996430.db2.gz IHXMYCMRRGBNOG-LBPRGKRZSA-N 1 2 238.335 1.275 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332647662 386996715 /nfs/dbraw/zinc/99/67/15/386996715.db2.gz LQVGYHANLXKGCI-CBAPKCEASA-N 1 2 211.265 1.160 20 0 BDADLO CO[C@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332647662 386996722 /nfs/dbraw/zinc/99/67/22/386996722.db2.gz LQVGYHANLXKGCI-CBAPKCEASA-N 1 2 211.265 1.160 20 0 BDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC(N)=O ZINC000369181524 387030693 /nfs/dbraw/zinc/03/06/93/387030693.db2.gz ZWCFNCMLVOSNDC-SUNKGSAMSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC(N)=O ZINC000369181524 387030697 /nfs/dbraw/zinc/03/06/97/387030697.db2.gz ZWCFNCMLVOSNDC-SUNKGSAMSA-N 1 2 248.326 1.322 20 0 BDADLO Clc1cnc(NCCNc2cccc[nH+]2)nc1 ZINC000358990200 387041678 /nfs/dbraw/zinc/04/16/78/387041678.db2.gz SKFREKAWZPSHHP-UHFFFAOYSA-N 1 2 249.705 1.471 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCCN(C)C2=O)cc[nH+]1 ZINC000359012120 387044863 /nfs/dbraw/zinc/04/48/63/387044863.db2.gz CTOFTUWEHHCFHP-SNVBAGLBSA-N 1 2 248.330 1.055 20 0 BDADLO Cc1ccncc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000359050752 387050735 /nfs/dbraw/zinc/05/07/35/387050735.db2.gz FPGLNEZBGNUBMC-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO CC[C@H]([NH2+]Cc1ncnn1CC)c1ccn(C)n1 ZINC000359073679 387052690 /nfs/dbraw/zinc/05/26/90/387052690.db2.gz VUCCDAQYUKDMIM-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CCSCC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459560257 387055679 /nfs/dbraw/zinc/05/56/79/387055679.db2.gz QBHBPKOYUDRCCY-LLVKDONJSA-N 1 2 249.376 1.297 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459570467 387057966 /nfs/dbraw/zinc/05/79/66/387057966.db2.gz BLBYWRXMYFKUDZ-UHFFFAOYSA-N 1 2 244.338 1.884 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000336221265 387060134 /nfs/dbraw/zinc/06/01/34/387060134.db2.gz VRZYTDMFVBYHAL-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000336221265 387060137 /nfs/dbraw/zinc/06/01/37/387060137.db2.gz VRZYTDMFVBYHAL-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO CC(C)(C)NC(=O)CNc1cc[nH+]c(C2CC2)n1 ZINC000110117943 387060706 /nfs/dbraw/zinc/06/07/06/387060706.db2.gz UBRRKCPBUQRVCV-UHFFFAOYSA-N 1 2 248.330 1.681 20 0 BDADLO O=C(CC1CCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334978660 387064901 /nfs/dbraw/zinc/06/49/01/387064901.db2.gz ITJRKMSXUTUNDA-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO O=C(CC1CCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334978660 387064907 /nfs/dbraw/zinc/06/49/07/387064907.db2.gz ITJRKMSXUTUNDA-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)C(=O)OC(C)C ZINC000425372121 387012254 /nfs/dbraw/zinc/01/22/54/387012254.db2.gz RUVSVQJUCGXCIW-IVZWLZJFSA-N 1 2 231.361 1.810 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000368843747 387015978 /nfs/dbraw/zinc/01/59/78/387015978.db2.gz HKDFKCAYIGQSBX-DJTWPOEFSA-N 1 2 247.342 1.979 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000368968183 387022052 /nfs/dbraw/zinc/02/20/52/387022052.db2.gz HCCQSDFVMROMMK-UWVGGRQHSA-N 1 2 245.282 1.433 20 0 BDADLO CC(=O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000368994822 387024750 /nfs/dbraw/zinc/02/47/50/387024750.db2.gz DMAVUSQEIZGQJP-VIFPVBQESA-N 1 2 209.249 1.186 20 0 BDADLO CC(=O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000368994822 387024755 /nfs/dbraw/zinc/02/47/55/387024755.db2.gz DMAVUSQEIZGQJP-VIFPVBQESA-N 1 2 209.249 1.186 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2cncc(F)c2)C1 ZINC000425369597 387025899 /nfs/dbraw/zinc/02/58/99/387025899.db2.gz AASRRAQTXTZVRT-UHFFFAOYSA-N 1 2 238.262 1.216 20 0 BDADLO Cc1nnc(CN(C)Cc2[nH+]ccn2C)s1 ZINC000358872921 387026946 /nfs/dbraw/zinc/02/69/46/387026946.db2.gz NAUBRNZWAJWROU-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(F)C2)[nH]1 ZINC000359222747 387069019 /nfs/dbraw/zinc/06/90/19/387069019.db2.gz IJIUGDWDLDENEH-GFCCVEGCSA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@@](C)(F)C2)[nH]1 ZINC000359222747 387069022 /nfs/dbraw/zinc/06/90/22/387069022.db2.gz IJIUGDWDLDENEH-GFCCVEGCSA-N 1 2 240.278 1.735 20 0 BDADLO Cc1nn(Cc2ccc(C)[nH+]c2C)c(=O)s1 ZINC000336229660 387069135 /nfs/dbraw/zinc/06/91/35/387069135.db2.gz XMYAIZRTUJSTCE-UHFFFAOYSA-N 1 2 235.312 1.673 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)ccn1 ZINC000336229627 387069571 /nfs/dbraw/zinc/06/95/71/387069571.db2.gz UMDGWZNGUJKAAK-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[C@H]1C)CC2 ZINC000369922301 387077226 /nfs/dbraw/zinc/07/72/26/387077226.db2.gz CQUUVOWXWQWASA-PSASIEDQSA-N 1 2 219.288 1.190 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cnnn1C ZINC000352339767 387092855 /nfs/dbraw/zinc/09/28/55/387092855.db2.gz ANUWUEJXCWBOEY-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cnnn1C ZINC000352339767 387092860 /nfs/dbraw/zinc/09/28/60/387092860.db2.gz ANUWUEJXCWBOEY-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCOC1CN(Cc2c[nH+]cn2CC)C1 ZINC000418082772 387092818 /nfs/dbraw/zinc/09/28/18/387092818.db2.gz JYJLLTRKVLSKFM-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO O=c1cc(C[N@H+]2CC[C@@H](F)C2)nc2ccccn12 ZINC000336261128 387095310 /nfs/dbraw/zinc/09/53/10/387095310.db2.gz MIIIIIISOACMTO-SNVBAGLBSA-N 1 2 247.273 1.238 20 0 BDADLO O=c1cc(C[N@@H+]2CC[C@@H](F)C2)nc2ccccn12 ZINC000336261128 387095312 /nfs/dbraw/zinc/09/53/12/387095312.db2.gz MIIIIIISOACMTO-SNVBAGLBSA-N 1 2 247.273 1.238 20 0 BDADLO Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)n[nH]1 ZINC000067473331 387095853 /nfs/dbraw/zinc/09/58/53/387095853.db2.gz PWXMZCHOTFQAON-UHFFFAOYSA-N 1 2 245.286 1.503 20 0 BDADLO C[C@]1(F)CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000336267334 387101681 /nfs/dbraw/zinc/10/16/81/387101681.db2.gz JFECZQJRANAJTO-LBPRGKRZSA-N 1 2 228.311 1.433 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000336267334 387101684 /nfs/dbraw/zinc/10/16/84/387101684.db2.gz JFECZQJRANAJTO-LBPRGKRZSA-N 1 2 228.311 1.433 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)C)c(C)n1 ZINC000186573468 387110634 /nfs/dbraw/zinc/11/06/34/387110634.db2.gz JLHXYBFSHCXOJL-UHFFFAOYSA-N 1 2 249.358 1.655 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)C)c(C)n1 ZINC000186573468 387110638 /nfs/dbraw/zinc/11/06/38/387110638.db2.gz JLHXYBFSHCXOJL-UHFFFAOYSA-N 1 2 249.358 1.655 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186597750 387112137 /nfs/dbraw/zinc/11/21/37/387112137.db2.gz MGHBFVYAYDIXSW-AWEZNQCLSA-N 1 2 247.294 1.291 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186597750 387112144 /nfs/dbraw/zinc/11/21/44/387112144.db2.gz MGHBFVYAYDIXSW-AWEZNQCLSA-N 1 2 247.294 1.291 20 0 BDADLO [NH3+][C@@H](C(=O)NC1CCC1)c1c(F)cccc1F ZINC000335028626 387121842 /nfs/dbraw/zinc/12/18/42/387121842.db2.gz XJHIVNKUAFMCHC-LLVKDONJSA-N 1 2 240.253 1.633 20 0 BDADLO CC[C@]1(O)CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336291192 387122076 /nfs/dbraw/zinc/12/20/76/387122076.db2.gz AKUAUCPANHYDJF-ZDUSSCGKSA-N 1 2 249.314 1.191 20 0 BDADLO COC[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353131304 387141999 /nfs/dbraw/zinc/14/19/99/387141999.db2.gz YQMWKGDUJGDZQJ-LLVKDONJSA-N 1 2 246.314 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cnn(C)c1C ZINC000353144079 387144955 /nfs/dbraw/zinc/14/49/55/387144955.db2.gz IFEDYXHXWWEEKM-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cnn(C)c1C ZINC000353144079 387144960 /nfs/dbraw/zinc/14/49/60/387144960.db2.gz IFEDYXHXWWEEKM-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO FC(F)(F)c1n[nH]c(CNc2cccc[nH+]2)n1 ZINC000359684577 387145489 /nfs/dbraw/zinc/14/54/89/387145489.db2.gz IVVLVICURQZIOK-UHFFFAOYSA-N 1 2 243.192 1.831 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353168499 387147599 /nfs/dbraw/zinc/14/75/99/387147599.db2.gz CHNHVTQPGBWYQM-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000353168499 387147601 /nfs/dbraw/zinc/14/76/01/387147601.db2.gz CHNHVTQPGBWYQM-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](CNC(=O)Cc1ccoc1)Cn1cc[nH+]c1 ZINC000186898206 387151341 /nfs/dbraw/zinc/15/13/41/387151341.db2.gz NYITUGUAIQSNCH-LLVKDONJSA-N 1 2 247.298 1.471 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000359710640 387152080 /nfs/dbraw/zinc/15/20/80/387152080.db2.gz IOPMKIFMCLVPEO-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)[C@](C)(O)C[N@@H+]1CCOCC(F)(F)C1 ZINC000367355648 387154677 /nfs/dbraw/zinc/15/46/77/387154677.db2.gz DYOUGRLTVDOULM-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)[C@](C)(O)C[N@H+]1CCOCC(F)(F)C1 ZINC000367355648 387154682 /nfs/dbraw/zinc/15/46/82/387154682.db2.gz DYOUGRLTVDOULM-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC3(CC3)C2)no1 ZINC000186974841 387156444 /nfs/dbraw/zinc/15/64/44/387156444.db2.gz ZAFIHZQULWDKDP-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO COCc1nc(C[N@H+]2CCCC3(CC3)C2)no1 ZINC000186974841 387156450 /nfs/dbraw/zinc/15/64/50/387156450.db2.gz ZAFIHZQULWDKDP-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO [NH3+]CC(F)(F)CNC1CCC(C(F)F)CC1 ZINC000423328007 387170480 /nfs/dbraw/zinc/17/04/80/387170480.db2.gz ABVJSZIEQKBZIX-UHFFFAOYSA-N 1 2 242.260 1.994 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000571807065 387174380 /nfs/dbraw/zinc/17/43/80/387174380.db2.gz UCUANPKVZSPEDM-VIFPVBQESA-N 1 2 215.297 1.780 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@](C)(F)C1 ZINC000571807065 387174384 /nfs/dbraw/zinc/17/43/84/387174384.db2.gz UCUANPKVZSPEDM-VIFPVBQESA-N 1 2 215.297 1.780 20 0 BDADLO C[C@H](CC(C)(C)C)NCC(F)(F)C[NH3+] ZINC000423335609 387183020 /nfs/dbraw/zinc/18/30/20/387183020.db2.gz GODNHKQMTHSHQN-MRVPVSSYSA-N 1 2 208.296 1.995 20 0 BDADLO COC(=O)c1cnoc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000352421004 387183495 /nfs/dbraw/zinc/18/34/95/387183495.db2.gz JFWSREAWFBNFBG-SNVBAGLBSA-N 1 2 238.287 1.692 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000352421004 387183501 /nfs/dbraw/zinc/18/35/01/387183501.db2.gz JFWSREAWFBNFBG-SNVBAGLBSA-N 1 2 238.287 1.692 20 0 BDADLO CCCC[C@@H]([NH2+]C1CC(OCC)C1)C(=O)OC ZINC000229606134 387188085 /nfs/dbraw/zinc/18/80/85/387188085.db2.gz QEDUCVCRIQCURQ-HTAVTVPLSA-N 1 2 243.347 1.875 20 0 BDADLO C[N@H+](Cc1cccc(F)c1F)[C@@H]1CCNC1=O ZINC000336360017 387188860 /nfs/dbraw/zinc/18/88/60/387188860.db2.gz CEASLMSYRSXNIB-SNVBAGLBSA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCNC1=O ZINC000336360017 387188866 /nfs/dbraw/zinc/18/88/66/387188866.db2.gz CEASLMSYRSXNIB-SNVBAGLBSA-N 1 2 240.253 1.285 20 0 BDADLO CC(C)[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000284411383 387189535 /nfs/dbraw/zinc/18/95/35/387189535.db2.gz XEJHJHGRSSFIBD-SNVBAGLBSA-N 1 2 214.334 1.592 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000284411383 387189541 /nfs/dbraw/zinc/18/95/41/387189541.db2.gz XEJHJHGRSSFIBD-SNVBAGLBSA-N 1 2 214.334 1.592 20 0 BDADLO [NH3+]CC(F)(F)CN[C@H]1CCCC12CCC2 ZINC000423341232 387190016 /nfs/dbraw/zinc/19/00/16/387190016.db2.gz KCJXYUHIZAZBMK-VIFPVBQESA-N 1 2 218.291 1.893 20 0 BDADLO Cc1cc(C)c(CNC(=O)N2CCCCO2)c[nH+]1 ZINC000334092425 387191174 /nfs/dbraw/zinc/19/11/74/387191174.db2.gz OQIGFLDPLOGVJS-UHFFFAOYSA-N 1 2 249.314 1.935 20 0 BDADLO COc1ccc[nH+]c1NCc1ncc(C)o1 ZINC000231661544 387134602 /nfs/dbraw/zinc/13/46/02/387134602.db2.gz UOJRKZRMDKDHKQ-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@]23CCOC3)no1 ZINC000370738173 387137612 /nfs/dbraw/zinc/13/76/12/387137612.db2.gz JJWOPYUHACCSLA-NSHDSACASA-N 1 2 223.276 1.133 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@]23CCOC3)no1 ZINC000370738173 387137620 /nfs/dbraw/zinc/13/76/20/387137620.db2.gz JJWOPYUHACCSLA-NSHDSACASA-N 1 2 223.276 1.133 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](Cc2cccc(O)c2)CCN1C ZINC000336309943 387138447 /nfs/dbraw/zinc/13/84/47/387138447.db2.gz LQEVIPDVEJEWLG-RYUDHWBXSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](Cc2cccc(O)c2)CCN1C ZINC000336309943 387138450 /nfs/dbraw/zinc/13/84/50/387138450.db2.gz LQEVIPDVEJEWLG-RYUDHWBXSA-N 1 2 234.343 1.917 20 0 BDADLO CO[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000353481812 387212610 /nfs/dbraw/zinc/21/26/10/387212610.db2.gz XBWCDTPCWFANHQ-JTQLQIEISA-N 1 2 225.292 1.039 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC2(O)CCC2)o1 ZINC000353495476 387216341 /nfs/dbraw/zinc/21/63/41/387216341.db2.gz OGJPUTWSOVONMO-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC2(O)CCC2)o1 ZINC000353495476 387216347 /nfs/dbraw/zinc/21/63/47/387216347.db2.gz OGJPUTWSOVONMO-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccc[nH]1 ZINC000371464663 387219295 /nfs/dbraw/zinc/21/92/95/387219295.db2.gz VKUPTEYPKSJGLA-NSHDSACASA-N 1 2 244.298 1.726 20 0 BDADLO CCCCOCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000352471270 387229772 /nfs/dbraw/zinc/22/97/72/387229772.db2.gz QNYFKZFLVXERJU-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1CC(F)(F)C1 ZINC000336402571 387231197 /nfs/dbraw/zinc/23/11/97/387231197.db2.gz IABUJQDGYXFEBP-UHFFFAOYSA-N 1 2 226.226 1.796 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cc[nH]n2)nc1 ZINC000353578940 387232579 /nfs/dbraw/zinc/23/25/79/387232579.db2.gz WAUSDEDGLTVCRK-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cc[nH]n2)nc1 ZINC000353578940 387232588 /nfs/dbraw/zinc/23/25/88/387232588.db2.gz WAUSDEDGLTVCRK-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C(C)(C)[NH2+]Cc2ncnn2C)cn1 ZINC000353570533 387233888 /nfs/dbraw/zinc/23/38/88/387233888.db2.gz NEFHDWNQECHVCK-UHFFFAOYSA-N 1 2 245.330 1.543 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000360199385 387242458 /nfs/dbraw/zinc/24/24/58/387242458.db2.gz QANHRMJDSSOSLM-UWVGGRQHSA-N 1 2 221.304 1.505 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2[nH]nnc2c1 ZINC000120478170 387249981 /nfs/dbraw/zinc/24/99/81/387249981.db2.gz LUSJZUHBZIHWOK-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000336364908 387197016 /nfs/dbraw/zinc/19/70/16/387197016.db2.gz UNKABMQSACMXGV-KBPBESRZSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000336364908 387197018 /nfs/dbraw/zinc/19/70/18/387197018.db2.gz UNKABMQSACMXGV-KBPBESRZSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1nc(CN2CCn3cc[nH+]c3C2)sc1C ZINC000336432726 387258661 /nfs/dbraw/zinc/25/86/61/387258661.db2.gz OFKLZOCBNRKILG-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000525922899 387264819 /nfs/dbraw/zinc/26/48/19/387264819.db2.gz YVQBBILMLCDPTE-AXFHLTTASA-N 1 2 248.330 1.390 20 0 BDADLO CC(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353739408 387266909 /nfs/dbraw/zinc/26/69/09/387266909.db2.gz PSOSSOPFHHOOCL-SNVBAGLBSA-N 1 2 209.293 1.291 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N(CC1CC1)CC1CC1 ZINC000353820775 387280350 /nfs/dbraw/zinc/28/03/50/387280350.db2.gz ZNIYVBSCURWGET-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CSC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000514733522 387281304 /nfs/dbraw/zinc/28/13/04/387281304.db2.gz KNCCCIGHPOVJBQ-ZJUUUORDSA-N 1 2 241.360 1.702 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnc(C)[nH]c2=O)[nH]c1C ZINC000514798250 387294793 /nfs/dbraw/zinc/29/47/93/387294793.db2.gz IAMXJAQHBKHOPG-UHFFFAOYSA-N 1 2 247.302 1.120 20 0 BDADLO Cc1[nH]c(CNCc2cnc(C)[nH]c2=O)[nH+]c1C ZINC000514798250 387294798 /nfs/dbraw/zinc/29/47/98/387294798.db2.gz IAMXJAQHBKHOPG-UHFFFAOYSA-N 1 2 247.302 1.120 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858977 387297834 /nfs/dbraw/zinc/29/78/34/387297834.db2.gz XNOICZMRJOHNAP-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858977 387297838 /nfs/dbraw/zinc/29/78/38/387297838.db2.gz XNOICZMRJOHNAP-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1nnc([C@H](C)Nc2nc(C)[nH+]cc2C)o1 ZINC000514873778 387302592 /nfs/dbraw/zinc/30/25/92/387302592.db2.gz WVHQDNDNEFZWDG-ZETCQYMHSA-N 1 2 233.275 1.380 20 0 BDADLO CC[C@H](CCO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000354326854 387359076 /nfs/dbraw/zinc/35/90/76/387359076.db2.gz LBSQFXKYDFEUKQ-LLVKDONJSA-N 1 2 235.331 1.657 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CC2(F)F)[nH+]1 ZINC000515306080 387362035 /nfs/dbraw/zinc/36/20/35/387362035.db2.gz UDTPQMAHVJMMML-ZETCQYMHSA-N 1 2 243.257 1.725 20 0 BDADLO CC(C)n1nccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000360922794 387366583 /nfs/dbraw/zinc/36/65/83/387366583.db2.gz WUDJBNZSYOIVRO-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO CC(C)n1nccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000360922794 387366587 /nfs/dbraw/zinc/36/65/87/387366587.db2.gz WUDJBNZSYOIVRO-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO Cn1c(COCc2[nH]cc[nH+]2)nnc1C1CCC1 ZINC000360955714 387374748 /nfs/dbraw/zinc/37/47/48/387374748.db2.gz XRYSYDLWHLMLEV-UHFFFAOYSA-N 1 2 247.302 1.523 20 0 BDADLO CNC(=O)[C@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000515432973 387378877 /nfs/dbraw/zinc/37/88/77/387378877.db2.gz NQDNHTNMACUFKZ-CYBMUJFWSA-N 1 2 248.330 1.056 20 0 BDADLO COC(=O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000372660403 387319908 /nfs/dbraw/zinc/31/99/08/387319908.db2.gz ORRCENNLCBONGR-JTQLQIEISA-N 1 2 239.271 1.216 20 0 BDADLO COC(=O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000372660403 387319912 /nfs/dbraw/zinc/31/99/12/387319912.db2.gz ORRCENNLCBONGR-JTQLQIEISA-N 1 2 239.271 1.216 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000336505227 387330351 /nfs/dbraw/zinc/33/03/51/387330351.db2.gz NRPQLHJJDMKKRL-JQWIXIFHSA-N 1 2 242.294 1.840 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000336505227 387330354 /nfs/dbraw/zinc/33/03/54/387330354.db2.gz NRPQLHJJDMKKRL-JQWIXIFHSA-N 1 2 242.294 1.840 20 0 BDADLO O=C(COC(F)F)Nc1cccc2[nH+]ccn21 ZINC000354113366 387331896 /nfs/dbraw/zinc/33/18/96/387331896.db2.gz UELFVQSZTFQSPB-UHFFFAOYSA-N 1 2 241.197 1.512 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc(NC3CC3)[nH+]cn2)C1 ZINC000515044739 387333909 /nfs/dbraw/zinc/33/39/09/387333909.db2.gz OQUBZSJGFZRZDY-PHIMTYICSA-N 1 2 248.330 1.665 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc(NC3CC3)nc[nH+]2)C1 ZINC000515044739 387333916 /nfs/dbraw/zinc/33/39/16/387333916.db2.gz OQUBZSJGFZRZDY-PHIMTYICSA-N 1 2 248.330 1.665 20 0 BDADLO CC1(C)CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000515103296 387336495 /nfs/dbraw/zinc/33/64/95/387336495.db2.gz FHPNPWOMFMEXIZ-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2csnn2)CCCO1 ZINC000352578277 387341008 /nfs/dbraw/zinc/34/10/08/387341008.db2.gz VZFLSKLGMTWBNZ-LLVKDONJSA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2csnn2)CCCO1 ZINC000352578277 387341013 /nfs/dbraw/zinc/34/10/13/387341013.db2.gz VZFLSKLGMTWBNZ-LLVKDONJSA-N 1 2 241.360 1.785 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccn(C)c2)C1 ZINC000354190253 387343934 /nfs/dbraw/zinc/34/39/34/387343934.db2.gz QZLWTKSIFXQESO-UHFFFAOYSA-N 1 2 238.331 1.262 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1CC1(F)CC1 ZINC000525978288 387344285 /nfs/dbraw/zinc/34/42/85/387344285.db2.gz AMXCHDMICHMWQM-SECBINFHSA-N 1 2 214.284 1.089 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CC1(F)CC1 ZINC000525978288 387344286 /nfs/dbraw/zinc/34/42/86/387344286.db2.gz AMXCHDMICHMWQM-SECBINFHSA-N 1 2 214.284 1.089 20 0 BDADLO COc1cc(F)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000515191720 387347092 /nfs/dbraw/zinc/34/70/92/387347092.db2.gz COHMYFMQTGSWNB-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3cccc(O)c3)C2)c1 ZINC000361256019 387427500 /nfs/dbraw/zinc/42/75/00/387427500.db2.gz ZJNMBBQXYIPXGX-UHFFFAOYSA-N 1 2 243.310 1.954 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000354895112 387444565 /nfs/dbraw/zinc/44/45/65/387444565.db2.gz PHUGPMVNNDOKBO-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cc(NC(=O)N2[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000336603192 387447237 /nfs/dbraw/zinc/44/72/37/387447237.db2.gz WMFXZVAJGZSSSM-UWVGGRQHSA-N 1 2 219.288 1.827 20 0 BDADLO CCc1ccc(C[NH2+][C@H](C)c2ncnn2C)cn1 ZINC000352710690 387454711 /nfs/dbraw/zinc/45/47/11/387454711.db2.gz KIUWERWGEQRIOK-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO CC[C@@H](C)CCC(=O)Nc1cc[nH+]cc1O ZINC000354519594 387387104 /nfs/dbraw/zinc/38/71/04/387387104.db2.gz BOLHEBYHDNEGOH-SECBINFHSA-N 1 2 222.288 1.974 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCCC1 ZINC000373859033 387398699 /nfs/dbraw/zinc/39/86/99/387398699.db2.gz KMXGXFNLJBXZBV-LLVKDONJSA-N 1 2 233.315 1.458 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)n(C)n1 ZINC000417964543 387406199 /nfs/dbraw/zinc/40/61/99/387406199.db2.gz LJRRTUFLPDERJF-LLVKDONJSA-N 1 2 247.346 1.655 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)n(C)n1 ZINC000417964543 387406201 /nfs/dbraw/zinc/40/62/01/387406201.db2.gz LJRRTUFLPDERJF-LLVKDONJSA-N 1 2 247.346 1.655 20 0 BDADLO Cn1ccnc1[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000375032848 387504953 /nfs/dbraw/zinc/50/49/53/387504953.db2.gz SXMJCERXEIGWIO-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO Cn1ccnc1[C@@H]1CCC[N@H+]1Cc1ccno1 ZINC000375032848 387504958 /nfs/dbraw/zinc/50/49/58/387504958.db2.gz SXMJCERXEIGWIO-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1ccno1 ZINC000375032848 387504961 /nfs/dbraw/zinc/50/49/61/387504961.db2.gz SXMJCERXEIGWIO-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO CCc1ccc(C[NH+]2CC(NC(C)=O)C2)s1 ZINC000572460593 387508515 /nfs/dbraw/zinc/50/85/15/387508515.db2.gz CBJITYQRJSFURP-UHFFFAOYSA-N 1 2 238.356 1.631 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1c(C)noc1C ZINC000361632507 387512687 /nfs/dbraw/zinc/51/26/87/387512687.db2.gz SVGKYLVMCGCYSA-SECBINFHSA-N 1 2 240.303 1.327 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1c(C)noc1C ZINC000361632507 387512694 /nfs/dbraw/zinc/51/26/94/387512694.db2.gz SVGKYLVMCGCYSA-SECBINFHSA-N 1 2 240.303 1.327 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000104384645 387515557 /nfs/dbraw/zinc/51/55/57/387515557.db2.gz HBHLCUHWRWGSKV-SNVBAGLBSA-N 1 2 244.294 1.886 20 0 BDADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CC1(C)C ZINC000397639518 387520449 /nfs/dbraw/zinc/52/04/49/387520449.db2.gz XFTOZAXKSPFWLX-SFYZADRCSA-N 1 2 224.308 1.425 20 0 BDADLO CCc1cc(NCCC(C)(F)F)nc[nH+]1 ZINC000379174879 387521100 /nfs/dbraw/zinc/52/11/00/387521100.db2.gz MRPHHPOESNZKAG-UHFFFAOYSA-N 1 2 215.247 1.918 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)c2nccn21 ZINC000379181345 387524242 /nfs/dbraw/zinc/52/42/42/387524242.db2.gz RZBXZUNIICTDPC-PSASIEDQSA-N 1 2 217.276 1.402 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)CCn1ccnn1 ZINC000425596030 387524985 /nfs/dbraw/zinc/52/49/85/387524985.db2.gz LGINZOSVNUQNGZ-UHFFFAOYSA-N 1 2 245.286 1.319 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN(C)CC(F)(F)F ZINC000192719152 387525625 /nfs/dbraw/zinc/52/56/25/387525625.db2.gz BXHGVPIHOHHOKI-VIFPVBQESA-N 1 2 240.269 1.201 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN(C)CC(F)(F)F ZINC000192719152 387525632 /nfs/dbraw/zinc/52/56/32/387525632.db2.gz BXHGVPIHOHHOKI-VIFPVBQESA-N 1 2 240.269 1.201 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375318819 387526141 /nfs/dbraw/zinc/52/61/41/387526141.db2.gz KKMAXRNZOXIPMA-NWDGAFQWSA-N 1 2 239.315 1.193 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375318819 387526146 /nfs/dbraw/zinc/52/61/46/387526146.db2.gz KKMAXRNZOXIPMA-NWDGAFQWSA-N 1 2 239.315 1.193 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cn[nH]c1 ZINC000361749428 387528387 /nfs/dbraw/zinc/52/83/87/387528387.db2.gz DYOAKOJNZLASKO-SFYZADRCSA-N 1 2 247.306 1.143 20 0 BDADLO CC(C)[C@@H]([NH2+]C[C@@H](C)O)C(=O)OC(C)(C)C ZINC000192788757 387534224 /nfs/dbraw/zinc/53/42/24/387534224.db2.gz AEGDOPPQGXOJDJ-NXEZZACHSA-N 1 2 231.336 1.323 20 0 BDADLO Cc1n[nH]cc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000375380212 387534832 /nfs/dbraw/zinc/53/48/32/387534832.db2.gz PGLJZEQGBPWSBZ-UHFFFAOYSA-N 1 2 245.330 1.821 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCC(F)(F)F ZINC000355434461 387537662 /nfs/dbraw/zinc/53/76/62/387537662.db2.gz JBNYAMWMWQENBI-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCC(F)(F)F ZINC000355434461 387537666 /nfs/dbraw/zinc/53/76/66/387537666.db2.gz JBNYAMWMWQENBI-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+](C)CC(F)F)CCO1 ZINC000352727728 387463094 /nfs/dbraw/zinc/46/30/94/387463094.db2.gz TTZAPWQHIXYGAE-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+](C)CC(F)F)CCO1 ZINC000352727728 387463096 /nfs/dbraw/zinc/46/30/96/387463096.db2.gz TTZAPWQHIXYGAE-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000361467250 387466801 /nfs/dbraw/zinc/46/68/01/387466801.db2.gz BTWAOVGWRYUZGP-MRVPVSSYSA-N 1 2 224.308 1.521 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000361467250 387466806 /nfs/dbraw/zinc/46/68/06/387466806.db2.gz BTWAOVGWRYUZGP-MRVPVSSYSA-N 1 2 224.308 1.521 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000352769755 387468894 /nfs/dbraw/zinc/46/88/94/387468894.db2.gz KIVFUIANKGFYSP-PWSUYJOCSA-N 1 2 247.342 1.810 20 0 BDADLO COC[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000355092914 387477419 /nfs/dbraw/zinc/47/74/19/387477419.db2.gz ZGOHBFKWNYQGDM-SRVKXCTJSA-N 1 2 243.347 1.590 20 0 BDADLO CCCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355088400 387477751 /nfs/dbraw/zinc/47/77/51/387477751.db2.gz OCMFCBWUFSVMOE-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355088400 387477755 /nfs/dbraw/zinc/47/77/55/387477755.db2.gz OCMFCBWUFSVMOE-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336623120 387478781 /nfs/dbraw/zinc/47/87/81/387478781.db2.gz AXJWOXQVSZCZQG-GFCCVEGCSA-N 1 2 245.330 1.752 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336623120 387478784 /nfs/dbraw/zinc/47/87/84/387478784.db2.gz AXJWOXQVSZCZQG-GFCCVEGCSA-N 1 2 245.330 1.752 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000361517723 387480449 /nfs/dbraw/zinc/48/04/49/387480449.db2.gz BOQRUDYCAYOTPV-QWRGUYRKSA-N 1 2 219.300 1.472 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1CCOC ZINC000361517723 387480454 /nfs/dbraw/zinc/48/04/54/387480454.db2.gz BOQRUDYCAYOTPV-QWRGUYRKSA-N 1 2 219.300 1.472 20 0 BDADLO Cn1c2ccccc2[nH]c1=[NH+]CCC1(CO)CC1 ZINC000395854160 387487991 /nfs/dbraw/zinc/48/79/91/387487991.db2.gz NQCNYLHFMJDJMW-UHFFFAOYSA-N 1 2 245.326 1.570 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000304519340 387490772 /nfs/dbraw/zinc/49/07/72/387490772.db2.gz PDKBLPNCFJUBCV-GARJFASQSA-N 1 2 245.388 1.915 20 0 BDADLO c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)nc1 ZINC000375762002 387580329 /nfs/dbraw/zinc/58/03/29/387580329.db2.gz IVQQWBOHQAOOOW-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)nc1 ZINC000375762002 387580331 /nfs/dbraw/zinc/58/03/31/387580331.db2.gz IVQQWBOHQAOOOW-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO FC(F)CN1CC[NH+](CCC(F)(F)F)CC1 ZINC000355885960 387588950 /nfs/dbraw/zinc/58/89/50/387588950.db2.gz ZJGVYXWIHBUGIH-UHFFFAOYSA-N 1 2 246.223 1.822 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3c[nH]nc3C)C2)c1 ZINC000375856945 387589595 /nfs/dbraw/zinc/58/95/95/387589595.db2.gz AQIMWGUXUJAIPN-UHFFFAOYSA-N 1 2 231.303 1.280 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)on1 ZINC000356219410 387628668 /nfs/dbraw/zinc/62/86/68/387628668.db2.gz LNHDPLLEMNWMAY-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO COC1(C)C[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000362312278 387594997 /nfs/dbraw/zinc/59/49/97/387594997.db2.gz IQZHQYJXSDBVOQ-UHFFFAOYSA-N 1 2 237.347 1.928 20 0 BDADLO Cc1cn(C)nc1NC(=O)CCCn1cc[nH+]c1 ZINC000527535224 387629269 /nfs/dbraw/zinc/62/92/69/387629269.db2.gz SDWOEGUKUJVTCD-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H](O)C(C)(C)C ZINC000264801742 387614493 /nfs/dbraw/zinc/61/44/93/387614493.db2.gz MXZRPSJJQYXEAD-VIFPVBQESA-N 1 2 249.318 1.182 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356151503 387623475 /nfs/dbraw/zinc/62/34/75/387623475.db2.gz YEWBUAMJJHIUJU-ZETCQYMHSA-N 1 2 249.236 1.799 20 0 BDADLO c1cnc(C[N@@H+]2CCOCC23CCCC3)nc1 ZINC000361865134 387547218 /nfs/dbraw/zinc/54/72/18/387547218.db2.gz KMVNQJKWVSEXAL-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO c1cnc(C[N@H+]2CCOCC23CCCC3)nc1 ZINC000361865134 387547224 /nfs/dbraw/zinc/54/72/24/387547224.db2.gz KMVNQJKWVSEXAL-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO Cc1noc(C[NH2+][C@@H](C)c2cccnc2)n1 ZINC000037989664 387570741 /nfs/dbraw/zinc/57/07/41/387570741.db2.gz QIKKKRXLOUNHJG-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009628 387571018 /nfs/dbraw/zinc/57/10/18/387571018.db2.gz BTMZYGYVUYTUTO-ZDUSSCGKSA-N 1 2 243.310 1.811 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000124759822 387630979 /nfs/dbraw/zinc/63/09/79/387630979.db2.gz VURFUJRFXBJFCU-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000124759822 387630986 /nfs/dbraw/zinc/63/09/86/387630986.db2.gz VURFUJRFXBJFCU-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1noc(COC)n1 ZINC000356242542 387631977 /nfs/dbraw/zinc/63/19/77/387631977.db2.gz ACWWBYILOOXWAY-UWVGGRQHSA-N 1 2 239.319 1.979 20 0 BDADLO CC[C@H]1CC[C@H](C)[N@H+]1Cc1noc(COC)n1 ZINC000356242542 387631978 /nfs/dbraw/zinc/63/19/78/387631978.db2.gz ACWWBYILOOXWAY-UWVGGRQHSA-N 1 2 239.319 1.979 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)OCC ZINC000124855533 387634866 /nfs/dbraw/zinc/63/48/66/387634866.db2.gz IEQBFLDBSDHFDS-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2n[nH]cc2C)o1 ZINC000356326744 387644260 /nfs/dbraw/zinc/64/42/60/387644260.db2.gz XLUNYRCSFHEHKH-UHFFFAOYSA-N 1 2 249.314 1.614 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2n[nH]cc2C)o1 ZINC000356326744 387644263 /nfs/dbraw/zinc/64/42/63/387644263.db2.gz XLUNYRCSFHEHKH-UHFFFAOYSA-N 1 2 249.314 1.614 20 0 BDADLO CC[C@@H](NC(=O)c1ccn[nH]1)c1[nH]cc[nH+]1 ZINC000125319750 387651256 /nfs/dbraw/zinc/65/12/56/387651256.db2.gz FGJWFZVOJYPNKH-SSDOTTSWSA-N 1 2 219.248 1.014 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCC12CC2 ZINC000527643028 387651630 /nfs/dbraw/zinc/65/16/30/387651630.db2.gz DIVVGXCOFXLROW-GFCCVEGCSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@](C)(O)C1CCC1 ZINC000362787342 387658224 /nfs/dbraw/zinc/65/82/24/387658224.db2.gz YGRINNWSARTORF-ZDUSSCGKSA-N 1 2 234.299 1.302 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC1CC1 ZINC000356476555 387664331 /nfs/dbraw/zinc/66/43/31/387664331.db2.gz UBFBTLODFOQKFH-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC1CC1 ZINC000356476555 387664333 /nfs/dbraw/zinc/66/43/33/387664333.db2.gz UBFBTLODFOQKFH-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccco1 ZINC000125721475 387664473 /nfs/dbraw/zinc/66/44/73/387664473.db2.gz VZINQDJWTDUVHR-QWRGUYRKSA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccco1 ZINC000125721475 387664476 /nfs/dbraw/zinc/66/44/76/387664476.db2.gz VZINQDJWTDUVHR-QWRGUYRKSA-N 1 2 239.271 1.042 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)[C@@H]1C1CC1 ZINC000527703706 387668447 /nfs/dbraw/zinc/66/84/47/387668447.db2.gz AAOHEVNKKUKQBK-TVYUQYBPSA-N 1 2 247.342 1.671 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccco2)n1 ZINC000527737890 387669451 /nfs/dbraw/zinc/66/94/51/387669451.db2.gz VNCKRHKWVYGCJB-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO C[C@H](C(=O)Nc1ccc(N)[nH+]c1)C1CCOCC1 ZINC000422778508 387674737 /nfs/dbraw/zinc/67/47/37/387674737.db2.gz AQXWYXUTOBRALP-VIFPVBQESA-N 1 2 249.314 1.495 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)OCC1CC1)C2 ZINC000376911767 387678348 /nfs/dbraw/zinc/67/83/48/387678348.db2.gz RSYWGRBWFRMBEH-NSHDSACASA-N 1 2 249.314 1.643 20 0 BDADLO C[C@H]1CCCC[N@@H+]1Cc1ncnn1CCF ZINC000440713910 387680004 /nfs/dbraw/zinc/68/00/04/387680004.db2.gz SSIPQBWRCHHYRR-JTQLQIEISA-N 1 2 226.299 1.622 20 0 BDADLO C[C@H]1CCCC[N@H+]1Cc1ncnn1CCF ZINC000440713910 387680008 /nfs/dbraw/zinc/68/00/08/387680008.db2.gz SSIPQBWRCHHYRR-JTQLQIEISA-N 1 2 226.299 1.622 20 0 BDADLO Cc1cc(C[N@H+](C)CCOCC2CC2)nn1C ZINC000362964557 387680615 /nfs/dbraw/zinc/68/06/15/387680615.db2.gz VWWWMUMNPWKFPM-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOCC2CC2)nn1C ZINC000362964557 387680620 /nfs/dbraw/zinc/68/06/20/387680620.db2.gz VWWWMUMNPWKFPM-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO CC(C)c1cc(C(=O)Nc2ccc(N)[nH+]c2)no1 ZINC000422785096 387682801 /nfs/dbraw/zinc/68/28/01/387682801.db2.gz JHOQBEPSNXJBMB-UHFFFAOYSA-N 1 2 246.270 1.858 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cnn(CC)n1 ZINC000527733749 387682981 /nfs/dbraw/zinc/68/29/81/387682981.db2.gz FERFPZOBXPAOGR-UHFFFAOYSA-N 1 2 235.291 1.138 20 0 BDADLO CC[C@@H](F)C[N@H+](CCO)Cc1cccnc1 ZINC000440759259 387685579 /nfs/dbraw/zinc/68/55/79/387685579.db2.gz BADFIJZVFGAJCE-GFCCVEGCSA-N 1 2 226.295 1.624 20 0 BDADLO CC[C@@H](F)C[N@@H+](CCO)Cc1cccnc1 ZINC000440759259 387685587 /nfs/dbraw/zinc/68/55/87/387685587.db2.gz BADFIJZVFGAJCE-GFCCVEGCSA-N 1 2 226.295 1.624 20 0 BDADLO CC[C@@H](F)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000440770819 387688586 /nfs/dbraw/zinc/68/85/86/387688586.db2.gz LDQVBFKJGQMGMZ-RQJHMYQMSA-N 1 2 217.206 1.590 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000440770819 387688591 /nfs/dbraw/zinc/68/85/91/387688591.db2.gz LDQVBFKJGQMGMZ-RQJHMYQMSA-N 1 2 217.206 1.590 20 0 BDADLO CCC1CCC([N@H+](C)Cc2nnn(C)n2)CC1 ZINC000440775784 387693530 /nfs/dbraw/zinc/69/35/30/387693530.db2.gz AIXUNQNJJZZQIW-UHFFFAOYSA-N 1 2 237.351 1.611 20 0 BDADLO CCC1CCC([N@@H+](C)Cc2nnn(C)n2)CC1 ZINC000440775784 387693539 /nfs/dbraw/zinc/69/35/39/387693539.db2.gz AIXUNQNJJZZQIW-UHFFFAOYSA-N 1 2 237.351 1.611 20 0 BDADLO COC(=O)C[C@H](C)Nc1nc(C)[nH+]c(C)c1F ZINC000356667265 387694149 /nfs/dbraw/zinc/69/41/49/387694149.db2.gz IYRHITADWDVOEN-LURJTMIESA-N 1 2 241.266 1.018 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000432007944 387744472 /nfs/dbraw/zinc/74/44/72/387744472.db2.gz SGRRUYQBIIVRRZ-WXRRBKDZSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000377771116 387747797 /nfs/dbraw/zinc/74/77/97/387747797.db2.gz DEYQZIAWACLLQD-WPRPVWTQSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000377771116 387747809 /nfs/dbraw/zinc/74/78/09/387747809.db2.gz DEYQZIAWACLLQD-WPRPVWTQSA-N 1 2 248.330 1.365 20 0 BDADLO COc1ccc[nH+]c1NCc1nnc2n1CCC2 ZINC000527834500 387749054 /nfs/dbraw/zinc/74/90/54/387749054.db2.gz FXZSJEPZXNSGKW-UHFFFAOYSA-N 1 2 245.286 1.240 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000452009694 387699078 /nfs/dbraw/zinc/69/90/78/387699078.db2.gz BPEHOCFVUNVCJH-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000452018305 387701355 /nfs/dbraw/zinc/70/13/55/387701355.db2.gz QLWCMPUXVFTTAT-IJLUTSLNSA-N 1 2 241.331 1.485 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000452016287 387701557 /nfs/dbraw/zinc/70/15/57/387701557.db2.gz JKXIVRGLQZWVEW-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000356723155 387708619 /nfs/dbraw/zinc/70/86/19/387708619.db2.gz DYQPOKXMZPWRRP-IUCAKERBSA-N 1 2 239.294 1.694 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000356723155 387708622 /nfs/dbraw/zinc/70/86/22/387708622.db2.gz DYQPOKXMZPWRRP-IUCAKERBSA-N 1 2 239.294 1.694 20 0 BDADLO CO[C@@H]1CCC[N@H+](CC2N=NC(=O)S2)CC1 ZINC000367464516 387708716 /nfs/dbraw/zinc/70/87/16/387708716.db2.gz UACNFGBJMDXADO-MRVPVSSYSA-N 1 2 243.332 1.245 20 0 BDADLO CO[C@@H]1CCC[N@@H+](CC2N=NC(=O)S2)CC1 ZINC000367464516 387708721 /nfs/dbraw/zinc/70/87/21/387708721.db2.gz UACNFGBJMDXADO-MRVPVSSYSA-N 1 2 243.332 1.245 20 0 BDADLO CO[C@H]1CCC[N@H+](CC2N=NC(=O)S2)CC1 ZINC000367464517 387709544 /nfs/dbraw/zinc/70/95/44/387709544.db2.gz UACNFGBJMDXADO-QMMMGPOBSA-N 1 2 243.332 1.245 20 0 BDADLO CO[C@H]1CCC[N@@H+](CC2N=NC(=O)S2)CC1 ZINC000367464517 387709548 /nfs/dbraw/zinc/70/95/48/387709548.db2.gz UACNFGBJMDXADO-QMMMGPOBSA-N 1 2 243.332 1.245 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC000367657887 387740342 /nfs/dbraw/zinc/74/03/42/387740342.db2.gz GVDGIJLOTDWQPS-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000367657887 387740347 /nfs/dbraw/zinc/74/03/47/387740347.db2.gz GVDGIJLOTDWQPS-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000441261751 387740398 /nfs/dbraw/zinc/74/03/98/387740398.db2.gz VBUGQINBKBXWAR-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H](COC)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000378021959 387761720 /nfs/dbraw/zinc/76/17/20/387761720.db2.gz HVABXNIDRGSBIS-NSHDSACASA-N 1 2 246.314 1.526 20 0 BDADLO Cc1cnc([C@@H](C)N(C)Cc2[nH+]ccn2C)o1 ZINC000356988470 387762152 /nfs/dbraw/zinc/76/21/52/387762152.db2.gz QVHABKBYVSBYNX-SNVBAGLBSA-N 1 2 234.303 1.910 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@@H]1CCOC1 ZINC000527912688 387766044 /nfs/dbraw/zinc/76/60/44/387766044.db2.gz GPOGQMOCSIECMZ-JTQLQIEISA-N 1 2 222.288 1.563 20 0 BDADLO COC[C@@H]1CCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000432168972 387769416 /nfs/dbraw/zinc/76/94/16/387769416.db2.gz HXBWEBJAOOKWOL-VIFPVBQESA-N 1 2 232.287 1.491 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H](OC)C1 ZINC000527883150 387771189 /nfs/dbraw/zinc/77/11/89/387771189.db2.gz RIGYUHFBCNVCPG-JTQLQIEISA-N 1 2 222.288 1.705 20 0 BDADLO COc1ccc[nH+]c1N(C)CCN1CCCC1=O ZINC000527893661 387776656 /nfs/dbraw/zinc/77/66/56/387776656.db2.gz OGSLZJCXXNOVDI-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1CCCOCC1 ZINC000378321579 387776920 /nfs/dbraw/zinc/77/69/20/387776920.db2.gz YKPYCNQYNNRBMX-UHFFFAOYSA-N 1 2 238.335 1.219 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1CCCOCC1 ZINC000378321579 387776925 /nfs/dbraw/zinc/77/69/25/387776925.db2.gz YKPYCNQYNNRBMX-UHFFFAOYSA-N 1 2 238.335 1.219 20 0 BDADLO COC[C@@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000527898907 387778857 /nfs/dbraw/zinc/77/88/57/387778857.db2.gz DDZDJICPYNIYNH-SNVBAGLBSA-N 1 2 222.288 1.563 20 0 BDADLO COc1ccc[nH+]c1NCCc1ncc(C)cn1 ZINC000527941315 387781082 /nfs/dbraw/zinc/78/10/82/387781082.db2.gz IIOCRNUYKLUBIJ-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO CCn1nncc1C[NH2+][C@H](C)c1ccncc1F ZINC000527917268 387788075 /nfs/dbraw/zinc/78/80/75/387788075.db2.gz SPUUUXRQPXSZKL-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO Cc1nn(C)c2ncc(C[NH+]3CCOCC3)cc12 ZINC000193538667 387793809 /nfs/dbraw/zinc/79/38/09/387793809.db2.gz ADBBWOJMVQOSNR-UHFFFAOYSA-N 1 2 246.314 1.109 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H]([C@H](C)O)C1 ZINC000527932501 387796179 /nfs/dbraw/zinc/79/61/79/387796179.db2.gz DCPYLRXITLEGAH-WDEREUQCSA-N 1 2 236.315 1.687 20 0 BDADLO CCn1ncnc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000193570478 387796533 /nfs/dbraw/zinc/79/65/33/387796533.db2.gz XMYOIJPKXMVCJK-NXEZZACHSA-N 1 2 238.335 1.032 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1cccnc1 ZINC000193703036 387801964 /nfs/dbraw/zinc/80/19/64/387801964.db2.gz KUCZMJCYVLSQDG-UHFFFAOYSA-N 1 2 240.270 1.311 20 0 BDADLO CSCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336292 387807026 /nfs/dbraw/zinc/80/70/26/387807026.db2.gz UZVOXWUUVYAFGR-UHFFFAOYSA-N 1 2 239.344 1.911 20 0 BDADLO CC(C)c1nc(NC2(CO)CC2)cc[nH+]1 ZINC000157517755 387810293 /nfs/dbraw/zinc/81/02/93/387810293.db2.gz DRKGDKDSWJEXCV-UHFFFAOYSA-N 1 2 207.277 1.537 20 0 BDADLO CC(C)n1cc(CNc2cccc(CO)[nH+]2)cn1 ZINC000432733718 387810754 /nfs/dbraw/zinc/81/07/54/387810754.db2.gz JAVHRTLRXAKWND-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO C=Cn1cc(CNc2cccc(CO)[nH+]2)cn1 ZINC000432739382 387811660 /nfs/dbraw/zinc/81/16/60/387811660.db2.gz XYVUTYMVGXGLHC-UHFFFAOYSA-N 1 2 230.271 1.483 20 0 BDADLO Cc1ccc(F)cc1C[NH2+]Cc1nncn1C ZINC000129026509 387761059 /nfs/dbraw/zinc/76/10/59/387761059.db2.gz DVRKDQSNPBCCDU-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCN(CC2(C)CCC2)[C@@H](C)C1 ZINC000432798145 387822932 /nfs/dbraw/zinc/82/29/32/387822932.db2.gz NTLKFBCAZJNCON-QWHCGFSZSA-N 1 2 240.391 1.564 20 0 BDADLO C[C@@H](O)C[N@H+]1CCN(CC2(C)CCC2)[C@@H](C)C1 ZINC000432798145 387822938 /nfs/dbraw/zinc/82/29/38/387822938.db2.gz NTLKFBCAZJNCON-QWHCGFSZSA-N 1 2 240.391 1.564 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1cccnc1 ZINC000054459185 387827015 /nfs/dbraw/zinc/82/70/15/387827015.db2.gz UZKFWHAJEMOTSF-JTQLQIEISA-N 1 2 214.272 1.722 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](O)C(C)C)CCCCC1 ZINC000432824013 387828735 /nfs/dbraw/zinc/82/87/35/387828735.db2.gz RUNVCACQFXNMFX-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000432828513 387830821 /nfs/dbraw/zinc/83/08/21/387830821.db2.gz KRPNHXVOYHGXMX-SECBINFHSA-N 1 2 238.335 1.323 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000432828513 387830828 /nfs/dbraw/zinc/83/08/28/387830828.db2.gz KRPNHXVOYHGXMX-SECBINFHSA-N 1 2 238.335 1.323 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](CCCO)C1 ZINC000528032558 387833245 /nfs/dbraw/zinc/83/32/45/387833245.db2.gz CGETYFRPUMMZAI-NSHDSACASA-N 1 2 236.315 1.689 20 0 BDADLO COC[C@@]1(C)CCN(c2[nH+]cccc2OC)C1 ZINC000528031576 387833651 /nfs/dbraw/zinc/83/36/51/387833651.db2.gz WKSIYBHDTPDASS-ZDUSSCGKSA-N 1 2 236.315 1.953 20 0 BDADLO COC1(C)CN(c2cc[nH+]c3ccncc32)C1 ZINC000428149264 387834795 /nfs/dbraw/zinc/83/47/95/387834795.db2.gz IGZOAGRUQHVAMH-UHFFFAOYSA-N 1 2 229.283 1.855 20 0 BDADLO C[C@H](O)CNc1cc(NCC2CC=CC2)[nH+]cn1 ZINC000528115218 387848095 /nfs/dbraw/zinc/84/80/95/387848095.db2.gz PMJACEJGFUBBPK-JTQLQIEISA-N 1 2 248.330 1.069 20 0 BDADLO C[C@H](O)CNc1cc(NCC2CC=CC2)nc[nH+]1 ZINC000528115218 387848099 /nfs/dbraw/zinc/84/80/99/387848099.db2.gz PMJACEJGFUBBPK-JTQLQIEISA-N 1 2 248.330 1.069 20 0 BDADLO CCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424168738 387859675 /nfs/dbraw/zinc/85/96/75/387859675.db2.gz IYONVLLAJXYKFQ-MRVPVSSYSA-N 1 2 220.263 1.148 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000452571837 387861286 /nfs/dbraw/zinc/86/12/86/387861286.db2.gz QBDSULCVWBWKHS-WDEREUQCSA-N 1 2 235.331 1.955 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193867643 387866837 /nfs/dbraw/zinc/86/68/37/387866837.db2.gz LXXOUZJEVNLQDJ-ZJUUUORDSA-N 1 2 237.303 1.151 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193867643 387866841 /nfs/dbraw/zinc/86/68/41/387866841.db2.gz LXXOUZJEVNLQDJ-ZJUUUORDSA-N 1 2 237.303 1.151 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000528207192 387870966 /nfs/dbraw/zinc/87/09/66/387870966.db2.gz OZGHZZZTNVJHPT-QISWUMQESA-N 1 2 247.342 2.000 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000078471372 387872323 /nfs/dbraw/zinc/87/23/23/387872323.db2.gz MDTGRDFKCLTAAB-UHFFFAOYSA-N 1 2 221.304 1.038 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000078471372 387872327 /nfs/dbraw/zinc/87/23/27/387872327.db2.gz MDTGRDFKCLTAAB-UHFFFAOYSA-N 1 2 221.304 1.038 20 0 BDADLO c1cnc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000564058653 387813845 /nfs/dbraw/zinc/81/38/45/387813845.db2.gz QEINXPCEYADZQJ-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000564058653 387813850 /nfs/dbraw/zinc/81/38/50/387813850.db2.gz QEINXPCEYADZQJ-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO COc1ccc[nH+]c1NC[C@]1(C)CCC(=O)N1 ZINC000528033271 387817673 /nfs/dbraw/zinc/81/76/73/387817673.db2.gz YNFPSCOOPIVBAG-LBPRGKRZSA-N 1 2 235.287 1.171 20 0 BDADLO O[C@@H]1C[NH+](Cc2c(F)cccc2Cl)C[C@H]1O ZINC000236529208 387895222 /nfs/dbraw/zinc/89/52/22/387895222.db2.gz BXQMABODVLOWGZ-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO c1cc(NCC23CC(C2)CO3)nc(C2CC2)[nH+]1 ZINC000528184997 387876018 /nfs/dbraw/zinc/87/60/18/387876018.db2.gz VXMJOZJUYSUBOM-UHFFFAOYSA-N 1 2 231.299 1.367 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+]CC1COC1 ZINC000528226662 387882040 /nfs/dbraw/zinc/88/20/40/387882040.db2.gz AZLLUPMQHGLMBX-UHFFFAOYSA-N 1 2 235.262 1.193 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000448706714 387888007 /nfs/dbraw/zinc/88/80/07/387888007.db2.gz AMBFXHRZFUJARF-GMTAPVOTSA-N 1 2 221.304 1.434 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000448706715 387889085 /nfs/dbraw/zinc/88/90/85/387889085.db2.gz AMBFXHRZFUJARF-HBNTYKKESA-N 1 2 221.304 1.434 20 0 BDADLO CC[C@H](O)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452750246 387908151 /nfs/dbraw/zinc/90/81/51/387908151.db2.gz DYVCQNNQJDTMQM-VIFPVBQESA-N 1 2 237.303 1.319 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438378559 387931775 /nfs/dbraw/zinc/93/17/75/387931775.db2.gz YZDIYYRTTFOLFJ-QJPTWQEYSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438378559 387931776 /nfs/dbraw/zinc/93/17/76/387931776.db2.gz YZDIYYRTTFOLFJ-QJPTWQEYSA-N 1 2 237.347 1.901 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CC2(CO)CC2)[nH+]1 ZINC000445620015 387952266 /nfs/dbraw/zinc/95/22/66/387952266.db2.gz WHRNZVNNZJEBOV-UHFFFAOYSA-N 1 2 246.314 1.475 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245431060 387944699 /nfs/dbraw/zinc/94/46/99/387944699.db2.gz NWGXHKTWIQVUDW-ZWNOBZJWSA-N 1 2 219.284 1.852 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245431060 387944702 /nfs/dbraw/zinc/94/47/02/387944702.db2.gz NWGXHKTWIQVUDW-ZWNOBZJWSA-N 1 2 219.284 1.852 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000245549478 387959161 /nfs/dbraw/zinc/95/91/61/387959161.db2.gz ZGYIJLZLBTURLF-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000245549478 387959167 /nfs/dbraw/zinc/95/91/67/387959167.db2.gz ZGYIJLZLBTURLF-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1O ZINC000438873153 387959849 /nfs/dbraw/zinc/95/98/49/387959849.db2.gz BCNIPTDQXLRCQY-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000424307551 387963676 /nfs/dbraw/zinc/96/36/76/387963676.db2.gz LXZAHRQWWLEXGI-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423183785 387970526 /nfs/dbraw/zinc/97/05/26/387970526.db2.gz HQMUIUVBZPBVER-CBAPKCEASA-N 1 2 239.344 1.305 20 0 BDADLO CCCCNc1cc(NC2CCCC2)nc(N)[nH+]1 ZINC000439133903 387981131 /nfs/dbraw/zinc/98/11/31/387981131.db2.gz RQWYFMKSRPGICI-UHFFFAOYSA-N 1 2 249.362 1.878 20 0 BDADLO CCCCNc1cc(NC2CCCC2)[nH+]c(N)n1 ZINC000439133903 387981135 /nfs/dbraw/zinc/98/11/35/387981135.db2.gz RQWYFMKSRPGICI-UHFFFAOYSA-N 1 2 249.362 1.878 20 0 BDADLO CNC(=O)C[C@H](C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423221737 388002648 /nfs/dbraw/zinc/00/26/48/388002648.db2.gz XVSIIYDRPAIRTL-VIFPVBQESA-N 1 2 233.315 1.591 20 0 BDADLO CNC(=O)C[C@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423221737 388002651 /nfs/dbraw/zinc/00/26/51/388002651.db2.gz XVSIIYDRPAIRTL-VIFPVBQESA-N 1 2 233.315 1.591 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000446231558 388007621 /nfs/dbraw/zinc/00/76/21/388007621.db2.gz MOKWIRXNLVGKII-UHFFFAOYSA-N 1 2 247.254 1.444 20 0 BDADLO Cc1cccc(NCc2c[nH+]cn2C)c1C(N)=O ZINC000439621508 388010821 /nfs/dbraw/zinc/01/08/21/388010821.db2.gz YDDIGQMCDWHUAZ-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446083948 387996577 /nfs/dbraw/zinc/99/65/77/387996577.db2.gz SJBLZPYAGYGXFN-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446083948 387996582 /nfs/dbraw/zinc/99/65/82/387996582.db2.gz SJBLZPYAGYGXFN-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000446344855 388015546 /nfs/dbraw/zinc/01/55/46/388015546.db2.gz ZPWSJXDNPLNPBB-GFCCVEGCSA-N 1 2 235.331 1.778 20 0 BDADLO CC(C)CC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000440423123 388043681 /nfs/dbraw/zinc/04/36/81/388043681.db2.gz GVQYSYXBCYJXNI-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000083746922 388060205 /nfs/dbraw/zinc/06/02/05/388060205.db2.gz QIQMGRFHESIFQX-JTQLQIEISA-N 1 2 217.276 1.289 20 0 BDADLO CO[C@H]1CCN(c2cc(C)[nH+]cn2)[C@H](C)C1 ZINC000440666863 388065246 /nfs/dbraw/zinc/06/52/46/388065246.db2.gz HTAUUPANWFBKAH-MNOVXSKESA-N 1 2 221.304 1.789 20 0 BDADLO CCNC(=O)C[N@H+](CC)C[C@H](F)CC ZINC000440695146 388068176 /nfs/dbraw/zinc/06/81/76/388068176.db2.gz FTKISGFLHSJDNZ-SECBINFHSA-N 1 2 204.289 1.193 20 0 BDADLO CCNC(=O)C[N@@H+](CC)C[C@H](F)CC ZINC000440695146 388068178 /nfs/dbraw/zinc/06/81/78/388068178.db2.gz FTKISGFLHSJDNZ-SECBINFHSA-N 1 2 204.289 1.193 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(c2ccccn2)CC1 ZINC000440695722 388068450 /nfs/dbraw/zinc/06/84/50/388068450.db2.gz RGSMJDJFEPAHQB-LBPRGKRZSA-N 1 2 237.322 1.952 20 0 BDADLO Cc1cccnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081661 388069839 /nfs/dbraw/zinc/06/98/39/388069839.db2.gz ATJGLKZJVYPFFC-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1cccnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081661 388069842 /nfs/dbraw/zinc/06/98/42/388069842.db2.gz ATJGLKZJVYPFFC-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000084081730 388069911 /nfs/dbraw/zinc/06/99/11/388069911.db2.gz NZDNVBCYFBHAOL-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000084081730 388069913 /nfs/dbraw/zinc/06/99/13/388069913.db2.gz NZDNVBCYFBHAOL-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO C[C@@H](CO)C[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000447552384 388077888 /nfs/dbraw/zinc/07/78/88/388077888.db2.gz TXCNLMHKIZQGML-ZYHUDNBSSA-N 1 2 246.314 1.112 20 0 BDADLO CC[C@H](O)CC(=O)Nc1c[nH+]ccc1OC ZINC000448835916 388114874 /nfs/dbraw/zinc/11/48/74/388114874.db2.gz NCBREUGZOSEAJW-QMMMGPOBSA-N 1 2 224.260 1.190 20 0 BDADLO c1c[nH]c([C@H]([NH2+][C@H]2CCOC2)c2ccccn2)n1 ZINC000447574790 388079808 /nfs/dbraw/zinc/07/98/08/388079808.db2.gz OMYRRGHBVWRZMM-CMPLNLGQSA-N 1 2 244.298 1.273 20 0 BDADLO c1c[nH+]c([C@H](N[C@H]2CCOC2)c2ccccn2)[nH]1 ZINC000447574790 388079811 /nfs/dbraw/zinc/07/98/11/388079811.db2.gz OMYRRGHBVWRZMM-CMPLNLGQSA-N 1 2 244.298 1.273 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000440496174 388045138 /nfs/dbraw/zinc/04/51/38/388045138.db2.gz NSAUCERZOABRTP-BFVZDQMLSA-N 1 2 221.341 1.435 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000440496174 388045141 /nfs/dbraw/zinc/04/51/41/388045141.db2.gz NSAUCERZOABRTP-BFVZDQMLSA-N 1 2 221.341 1.435 20 0 BDADLO CC[C@@H](F)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000440515017 388049509 /nfs/dbraw/zinc/04/95/09/388049509.db2.gz QPMCJTRVOKSGAA-FRRDWIJNSA-N 1 2 246.370 1.776 20 0 BDADLO CC[C@@H](F)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000440515017 388049511 /nfs/dbraw/zinc/04/95/11/388049511.db2.gz QPMCJTRVOKSGAA-FRRDWIJNSA-N 1 2 246.370 1.776 20 0 BDADLO C[C@H]1CC[C@]2(CC[N@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516834 388049607 /nfs/dbraw/zinc/04/96/07/388049607.db2.gz PJWYYBSRQOCJDF-JQWIXIFHSA-N 1 2 235.335 1.222 20 0 BDADLO C[C@H]1CC[C@]2(CC[N@@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516834 388049612 /nfs/dbraw/zinc/04/96/12/388049612.db2.gz PJWYYBSRQOCJDF-JQWIXIFHSA-N 1 2 235.335 1.222 20 0 BDADLO Cc1nc(C)c(C(=O)N2CCc3[nH]c[nH+]c3C2)o1 ZINC000646260721 388171244 /nfs/dbraw/zinc/17/12/44/388171244.db2.gz BZWCHUSJIODDQM-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Cc1nc(C)c(C(=O)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000646260721 388171247 /nfs/dbraw/zinc/17/12/47/388171247.db2.gz BZWCHUSJIODDQM-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Cc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1 ZINC000646257752 388171561 /nfs/dbraw/zinc/17/15/61/388171561.db2.gz HDTGROKUDJXNLI-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000646257752 388171562 /nfs/dbraw/zinc/17/15/62/388171562.db2.gz HDTGROKUDJXNLI-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259387 388171685 /nfs/dbraw/zinc/17/16/85/388171685.db2.gz ZXCMIGONCYVELO-SNVBAGLBSA-N 1 2 231.299 1.651 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259387 388171687 /nfs/dbraw/zinc/17/16/87/388171687.db2.gz ZXCMIGONCYVELO-SNVBAGLBSA-N 1 2 231.299 1.651 20 0 BDADLO COc1nccnc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000449353082 388179933 /nfs/dbraw/zinc/17/99/33/388179933.db2.gz XWFISBBLMGZIPY-GFCCVEGCSA-N 1 2 239.294 1.809 20 0 BDADLO COc1nccnc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000449353082 388179935 /nfs/dbraw/zinc/17/99/35/388179935.db2.gz XWFISBBLMGZIPY-GFCCVEGCSA-N 1 2 239.294 1.809 20 0 BDADLO Cc1nccc(C[N@@H+](C(C)C)C2COC2)n1 ZINC000449352491 388180013 /nfs/dbraw/zinc/18/00/13/388180013.db2.gz WGFNMRIGRNSCPU-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@H+](C(C)C)C2COC2)n1 ZINC000449352491 388180015 /nfs/dbraw/zinc/18/00/15/388180015.db2.gz WGFNMRIGRNSCPU-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ncnn1CC(F)F ZINC000488450071 388180616 /nfs/dbraw/zinc/18/06/16/388180616.db2.gz QWFWQAIEOAZMCT-DTWKUNHWSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ncnn1CC(F)F ZINC000488450071 388180617 /nfs/dbraw/zinc/18/06/17/388180617.db2.gz QWFWQAIEOAZMCT-DTWKUNHWSA-N 1 2 244.289 1.774 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1C[C@@H]1C ZINC000454453464 388118359 /nfs/dbraw/zinc/11/83/59/388118359.db2.gz ZEPRJSBQLMMITL-LPEHRKFASA-N 1 2 236.319 1.672 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000448896300 388118831 /nfs/dbraw/zinc/11/88/31/388118831.db2.gz GIRJUFFSUBVSFN-GARJFASQSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CC=CCC1 ZINC000448952436 388123003 /nfs/dbraw/zinc/12/30/03/388123003.db2.gz RCFLEMVKMOILBK-ZDUSSCGKSA-N 1 2 233.315 1.815 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1c(C)nnn1CC ZINC000449015631 388129811 /nfs/dbraw/zinc/12/98/11/388129811.db2.gz LFBZNPHLSPZISV-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1c(C)nnn1CC ZINC000449015631 388129813 /nfs/dbraw/zinc/12/98/13/388129813.db2.gz LFBZNPHLSPZISV-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO C[C@H]([NH2+]Cc1ccoc1)c1nccn1C ZINC000162229467 388129843 /nfs/dbraw/zinc/12/98/43/388129843.db2.gz YRQTYTDUAXQXNM-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc2cccnc2o1 ZINC000449017324 388130909 /nfs/dbraw/zinc/13/09/09/388130909.db2.gz YJVWHVBRUORFOS-UHFFFAOYSA-N 1 2 234.255 1.433 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449017324 388130911 /nfs/dbraw/zinc/13/09/11/388130911.db2.gz YJVWHVBRUORFOS-UHFFFAOYSA-N 1 2 234.255 1.433 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(C2CCC2)CCC1 ZINC000454708139 388131091 /nfs/dbraw/zinc/13/10/91/388131091.db2.gz MGHOEVOFAZHLKE-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000162243991 388134377 /nfs/dbraw/zinc/13/43/77/388134377.db2.gz YCURLISFCICTBV-QWRGUYRKSA-N 1 2 245.363 1.713 20 0 BDADLO CC[C@H](COC)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449660989 388249186 /nfs/dbraw/zinc/24/91/86/388249186.db2.gz HJSFVDDDEPDWPY-VHSXEESVSA-N 1 2 217.309 1.341 20 0 BDADLO C[C@@H](CF)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000490715455 388249907 /nfs/dbraw/zinc/24/99/07/388249907.db2.gz XBFYGVISZZOCOZ-ZETCQYMHSA-N 1 2 213.256 1.162 20 0 BDADLO Cc1cc(C)c(CNC(=O)CCCCO)c[nH+]1 ZINC000397020744 388258225 /nfs/dbraw/zinc/25/82/25/388258225.db2.gz BYIABGUSNWQLEU-UHFFFAOYSA-N 1 2 236.315 1.477 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](O)C(C)C ZINC000456365631 388197243 /nfs/dbraw/zinc/19/72/43/388197243.db2.gz VZJVEHNJTXHCFA-UWVGGRQHSA-N 1 2 239.319 1.097 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC000456384817 388198288 /nfs/dbraw/zinc/19/82/88/388198288.db2.gz LVLRSIWQNGZCNW-VIFPVBQESA-N 1 2 247.302 1.426 20 0 BDADLO COc1cc(C)cnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000488963743 388200160 /nfs/dbraw/zinc/20/01/60/388200160.db2.gz GTSGYZFFEBSSBR-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1cc(C)cnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000488963743 388200162 /nfs/dbraw/zinc/20/01/62/388200162.db2.gz GTSGYZFFEBSSBR-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CC[N@H+](Cc1ccc(OC)nc1)C1COC1 ZINC000449430423 388203716 /nfs/dbraw/zinc/20/37/16/388203716.db2.gz ZQEIXGCLCHDDTK-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@@H+](Cc1ccc(OC)nc1)C1COC1 ZINC000449430423 388203718 /nfs/dbraw/zinc/20/37/18/388203718.db2.gz ZQEIXGCLCHDDTK-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC(C)OC(=O)[C@@H](NCc1[nH]cc[nH+]1)C(C)C ZINC000449501485 388219557 /nfs/dbraw/zinc/21/95/57/388219557.db2.gz FPQKFNNEBJBGEQ-NSHDSACASA-N 1 2 239.319 1.476 20 0 BDADLO Cc1ccc(NC(=O)c2ccncn2)c(C)[nH+]1 ZINC000489701453 388223847 /nfs/dbraw/zinc/22/38/47/388223847.db2.gz VKZVDQKYZJOUOZ-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO COC1(C(=O)NCc2c[nH+]c(C)cc2C)CCC1 ZINC000456838118 388226376 /nfs/dbraw/zinc/22/63/76/388226376.db2.gz LFKQUVCMRWOZSX-UHFFFAOYSA-N 1 2 248.326 1.884 20 0 BDADLO Cc1cc(C)c(CNC(=O)Cn2cccn2)c[nH+]1 ZINC000456840582 388227372 /nfs/dbraw/zinc/22/73/72/388227372.db2.gz DSPRZIFCSFXJKG-UHFFFAOYSA-N 1 2 244.298 1.211 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456863584 388228061 /nfs/dbraw/zinc/22/80/61/388228061.db2.gz RGXUQIKXXJPPST-QWHCGFSZSA-N 1 2 248.326 1.740 20 0 BDADLO CC[C@@H](OC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456867865 388229154 /nfs/dbraw/zinc/22/91/54/388229154.db2.gz WJRPUIXDQHGMSA-GFCCVEGCSA-N 1 2 236.315 1.740 20 0 BDADLO COCC[N@H+](Cc1cscn1)[C@@H]1CCOC1 ZINC000490059174 388232282 /nfs/dbraw/zinc/23/22/82/388232282.db2.gz LCGRFKQXAGZYIY-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO COCC[N@@H+](Cc1cscn1)[C@@H]1CCOC1 ZINC000490059174 388232285 /nfs/dbraw/zinc/23/22/85/388232285.db2.gz LCGRFKQXAGZYIY-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO CC[C@H]1CCC[C@@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000490068019 388233564 /nfs/dbraw/zinc/23/35/64/388233564.db2.gz AQGVOXLKQBLPLA-QWRGUYRKSA-N 1 2 249.362 1.659 20 0 BDADLO CC[C@H]1CCC[C@@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000490068019 388233566 /nfs/dbraw/zinc/23/35/66/388233566.db2.gz AQGVOXLKQBLPLA-QWRGUYRKSA-N 1 2 249.362 1.659 20 0 BDADLO C[C@@H](O)C[N@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000449632574 388244080 /nfs/dbraw/zinc/24/40/80/388244080.db2.gz ROBQRHWJIDWVBE-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H](O)C[N@@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000449632574 388244081 /nfs/dbraw/zinc/24/40/81/388244081.db2.gz ROBQRHWJIDWVBE-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H]1CCSC1 ZINC000449626595 388245424 /nfs/dbraw/zinc/24/54/24/388245424.db2.gz DPEXIAGFDMHGSE-RKDXNWHRSA-N 1 2 239.331 1.687 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H]1CCSC1 ZINC000449626595 388245425 /nfs/dbraw/zinc/24/54/25/388245425.db2.gz DPEXIAGFDMHGSE-RKDXNWHRSA-N 1 2 239.331 1.687 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]CCC(C)(C)O)C(C)C ZINC000451605051 388283419 /nfs/dbraw/zinc/28/34/19/388283419.db2.gz MISVSLMNIUSFSM-NSHDSACASA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H](O)C[N@H+](CCCCF)CC(F)F ZINC000451825749 388299225 /nfs/dbraw/zinc/29/92/25/388299225.db2.gz DKZXYYVUVGYYNI-QMMMGPOBSA-N 1 2 213.243 1.684 20 0 BDADLO C[C@H](O)C[N@@H+](CCCCF)CC(F)F ZINC000451825749 388299226 /nfs/dbraw/zinc/29/92/26/388299226.db2.gz DKZXYYVUVGYYNI-QMMMGPOBSA-N 1 2 213.243 1.684 20 0 BDADLO CC[C@@H](C)N1CC[NH+](C[C@H](O)CSC)CC1 ZINC000451850748 388301170 /nfs/dbraw/zinc/30/11/70/388301170.db2.gz XVICFNYGIPHGNN-NEPJUHHUSA-N 1 2 246.420 1.126 20 0 BDADLO CC(C)(C)/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000491841345 388324506 /nfs/dbraw/zinc/32/45/06/388324506.db2.gz DATMLAXBRFQKOZ-WAYWQWQTSA-N 1 2 235.331 1.992 20 0 BDADLO CCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492299896 388340596 /nfs/dbraw/zinc/34/05/96/388340596.db2.gz PKHIAUSQCMWBAJ-AATRIKPKSA-N 1 2 207.277 1.442 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC(=O)CC1 ZINC000492379794 388342799 /nfs/dbraw/zinc/34/27/99/388342799.db2.gz MBSPPOWUKLFCAY-ONEGZZNKSA-N 1 2 247.298 1.108 20 0 BDADLO O=C([C@H]1CC=CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000524375107 388356519 /nfs/dbraw/zinc/35/65/19/388356519.db2.gz DVMFMBVCTHYZSN-NSHDSACASA-N 1 2 231.299 1.623 20 0 BDADLO Cc1cc(O)ccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572614607 388360683 /nfs/dbraw/zinc/36/06/83/388360683.db2.gz BWNIJIAENRKEIU-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C[C@@](C)(O)C2)c(C)c[nH+]1 ZINC000572617544 388361862 /nfs/dbraw/zinc/36/18/62/388361862.db2.gz YYJWTYLESJUYCT-GSJFWJNXSA-N 1 2 249.314 1.155 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000235123076 388364831 /nfs/dbraw/zinc/36/48/31/388364831.db2.gz QQWJUXWEQQBPTR-WDSKDSINSA-N 1 2 230.699 1.141 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000235123076 388364833 /nfs/dbraw/zinc/36/48/33/388364833.db2.gz QQWJUXWEQQBPTR-WDSKDSINSA-N 1 2 230.699 1.141 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)no1 ZINC000305786040 388375718 /nfs/dbraw/zinc/37/57/18/388375718.db2.gz AWAYMJUUALDZDR-WDEREUQCSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)no1 ZINC000305786040 388375720 /nfs/dbraw/zinc/37/57/20/388375720.db2.gz AWAYMJUUALDZDR-WDEREUQCSA-N 1 2 239.319 1.361 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000572776502 388375852 /nfs/dbraw/zinc/37/58/52/388375852.db2.gz QGISBEMOWPQIJS-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000163601852 388382711 /nfs/dbraw/zinc/38/27/11/388382711.db2.gz SNDHVCCKCMFTQS-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000163601852 388382713 /nfs/dbraw/zinc/38/27/13/388382713.db2.gz SNDHVCCKCMFTQS-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CCc1cc(N[C@@H](C)C[S@@](C)=O)nc[nH+]1 ZINC000164200038 388390250 /nfs/dbraw/zinc/39/02/50/388390250.db2.gz FPDADIGZMAODTI-AYVTZFPOSA-N 1 2 227.333 1.218 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CO)C2)cs1 ZINC000294652019 388401945 /nfs/dbraw/zinc/40/19/45/388401945.db2.gz BOXXTJAHHIOINF-NSHDSACASA-N 1 2 227.329 1.250 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CO)C2)cs1 ZINC000294652019 388401947 /nfs/dbraw/zinc/40/19/47/388401947.db2.gz BOXXTJAHHIOINF-NSHDSACASA-N 1 2 227.329 1.250 20 0 BDADLO O=C(/C=C/C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000492073309 388333761 /nfs/dbraw/zinc/33/37/61/388333761.db2.gz VKLDADQSNIGFFG-SNAWJCMRSA-N 1 2 231.299 1.623 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC(C)(C)C ZINC000336900026 388442002 /nfs/dbraw/zinc/44/20/02/388442002.db2.gz RQLLQMYCYKQHGL-ZJUUUORDSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000649210547 388459014 /nfs/dbraw/zinc/45/90/14/388459014.db2.gz ZYUBYSBUBWFVFM-PWSUYJOCSA-N 1 2 247.342 1.608 20 0 BDADLO CC1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649218565 388459464 /nfs/dbraw/zinc/45/94/64/388459464.db2.gz NZOAMMBCTRYHLV-JTQLQIEISA-N 1 2 233.315 1.314 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC=CCC1 ZINC000649215813 388459796 /nfs/dbraw/zinc/45/97/96/388459796.db2.gz HKTZMAXPTZLANA-NSHDSACASA-N 1 2 231.299 1.234 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649218680 388459933 /nfs/dbraw/zinc/45/99/33/388459933.db2.gz XIAPFZXOLCNRKO-GMTAPVOTSA-N 1 2 233.315 1.455 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337377151 388473351 /nfs/dbraw/zinc/47/33/51/388473351.db2.gz BTCXQQZHDGDAMI-HTQZYQBOSA-N 1 2 237.246 1.299 20 0 BDADLO Cc1cnccc1C[NH2+]CC(F)(F)CO ZINC000295527770 388412010 /nfs/dbraw/zinc/41/20/10/388412010.db2.gz WKEOZCFYNRNWIE-UHFFFAOYSA-N 1 2 216.231 1.107 20 0 BDADLO CSC1(CNc2nc(C)[nH+]cc2C)CC1 ZINC000573221013 388434305 /nfs/dbraw/zinc/43/43/05/388434305.db2.gz WZJQGPXPRLZSET-UHFFFAOYSA-N 1 2 223.345 1.823 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCC1(C)C ZINC000548460313 388540756 /nfs/dbraw/zinc/54/07/56/388540756.db2.gz LBLRCBZEGHTKLH-LBPRGKRZSA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548501298 388544933 /nfs/dbraw/zinc/54/49/33/388544933.db2.gz OPUXSCANDCCXOQ-OCCSQVGLSA-N 1 2 247.342 1.949 20 0 BDADLO CC(C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000548519729 388545371 /nfs/dbraw/zinc/54/53/71/388545371.db2.gz OGAJLKVKQIXFMO-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1nc(C)c(NC(=O)[C@H]2CSC[NH2+]2)s1 ZINC000261532325 388546648 /nfs/dbraw/zinc/54/66/48/388546648.db2.gz AETXGUFGSGUNPB-SSDOTTSWSA-N 1 2 243.357 1.361 20 0 BDADLO C[C@@H](N(C)C(=O)Cc1c[nH+]cn1C)C1(C)CC1 ZINC000548586147 388547263 /nfs/dbraw/zinc/54/72/63/388547263.db2.gz HULCHWQGQQWKAO-SNVBAGLBSA-N 1 2 235.331 1.610 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@@H]2F)nn1 ZINC000339590031 388486430 /nfs/dbraw/zinc/48/64/30/388486430.db2.gz MSCFQPCFPXNNCZ-WDEREUQCSA-N 1 2 226.299 1.839 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000135255116 388487174 /nfs/dbraw/zinc/48/71/74/388487174.db2.gz CQJTUJQGQZNXKQ-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000547928015 388495158 /nfs/dbraw/zinc/49/51/58/388495158.db2.gz CEFRUVGWTYYNQL-ZDUSSCGKSA-N 1 2 237.299 1.383 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000547928015 388495161 /nfs/dbraw/zinc/49/51/61/388495161.db2.gz CEFRUVGWTYYNQL-ZDUSSCGKSA-N 1 2 237.299 1.383 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]2CSC)no1 ZINC000135441390 388496678 /nfs/dbraw/zinc/49/66/78/388496678.db2.gz WSENABCZTYMKGK-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]2CSC)no1 ZINC000135441390 388496681 /nfs/dbraw/zinc/49/66/81/388496681.db2.gz WSENABCZTYMKGK-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C)c2nccn21 ZINC000345341152 388511440 /nfs/dbraw/zinc/51/14/40/388511440.db2.gz CNJVNWBPOYEIEG-KOLCDFICSA-N 1 2 231.303 1.412 20 0 BDADLO CC(C)CO[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000516965367 256808838 /nfs/dbraw/zinc/80/88/38/256808838.db2.gz YVFKWNOOKTXUJD-SECBINFHSA-N 1 2 237.303 1.494 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548133204 388515393 /nfs/dbraw/zinc/51/53/93/388515393.db2.gz YPLRAHAVLATRHU-RYUDHWBXSA-N 1 2 235.331 1.371 20 0 BDADLO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000398051909 388516104 /nfs/dbraw/zinc/51/61/04/388516104.db2.gz WTCNGPAXMJENRU-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO CCN(Cc1ccccn1)C(=O)Cn1cc[nH+]c1 ZINC000516826309 388518823 /nfs/dbraw/zinc/51/88/23/388518823.db2.gz WVJQEZSFYWCWPS-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)COC ZINC000136072911 388521223 /nfs/dbraw/zinc/52/12/23/388521223.db2.gz DTXAPWUUBJJCEQ-BRAIEQGRSA-N 1 2 237.303 1.067 20 0 BDADLO CC[C@@](C)([NH2+]Cc1ncccc1Cl)C(N)=O ZINC000528422004 388522781 /nfs/dbraw/zinc/52/27/81/388522781.db2.gz BYXSJXKLOCIIDY-LLVKDONJSA-N 1 2 241.722 1.479 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC1(C)C ZINC000516193026 256767181 /nfs/dbraw/zinc/76/71/81/256767181.db2.gz NPXTZXAMWRGMNS-NXEZZACHSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC1(C)C ZINC000516193026 256767183 /nfs/dbraw/zinc/76/71/83/256767183.db2.gz NPXTZXAMWRGMNS-NXEZZACHSA-N 1 2 235.331 1.751 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000528474513 388531303 /nfs/dbraw/zinc/53/13/03/388531303.db2.gz PNYWKFMGAWVVMV-INJWIWPUSA-N 1 2 244.766 1.976 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000528474513 388531304 /nfs/dbraw/zinc/53/13/04/388531304.db2.gz PNYWKFMGAWVVMV-INJWIWPUSA-N 1 2 244.766 1.976 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCOC[C@@H]1C ZINC000136359820 388531755 /nfs/dbraw/zinc/53/17/55/388531755.db2.gz QTGWPSDHBCLVKR-ZWNMCFTASA-N 1 2 249.314 1.164 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351838240 388533674 /nfs/dbraw/zinc/53/36/74/388533674.db2.gz YINAUPGPPFJLQJ-RKDXNWHRSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351838240 388533676 /nfs/dbraw/zinc/53/36/76/388533676.db2.gz YINAUPGPPFJLQJ-RKDXNWHRSA-N 1 2 225.292 1.006 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1cn[nH]c1 ZINC000517039897 388534453 /nfs/dbraw/zinc/53/44/53/388534453.db2.gz JADUEKNLPPPKTJ-DTWKUNHWSA-N 1 2 247.302 1.189 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000517039897 388534456 /nfs/dbraw/zinc/53/44/56/388534456.db2.gz JADUEKNLPPPKTJ-DTWKUNHWSA-N 1 2 247.302 1.189 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548410651 388535225 /nfs/dbraw/zinc/53/52/25/388535225.db2.gz GGQLCTDEYPXZLB-UTLUCORTSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000548410651 388535227 /nfs/dbraw/zinc/53/52/27/388535227.db2.gz GGQLCTDEYPXZLB-UTLUCORTSA-N 1 2 233.315 1.602 20 0 BDADLO CCC[C@H]([NH2+]CC1=CCCOC1)C(=O)OCC ZINC000352263656 388536087 /nfs/dbraw/zinc/53/60/87/388536087.db2.gz PPCIJIKXZAKBIP-LBPRGKRZSA-N 1 2 241.331 1.655 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CC(F)F ZINC000648961838 388588065 /nfs/dbraw/zinc/58/80/65/388588065.db2.gz LIKWQDISKCYNFV-MRVPVSSYSA-N 1 2 231.246 1.291 20 0 BDADLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)[C@@H]1CCOC1 ZINC000521576239 388617310 /nfs/dbraw/zinc/61/73/10/388617310.db2.gz VYUKAPLDJLOYCJ-VHSXEESVSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)[C@@H]1CCOC1 ZINC000521576239 388617313 /nfs/dbraw/zinc/61/73/13/388617313.db2.gz VYUKAPLDJLOYCJ-VHSXEESVSA-N 1 2 248.330 1.888 20 0 BDADLO C/C=C/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000228698390 388617387 /nfs/dbraw/zinc/61/73/87/388617387.db2.gz GHDPNERCKDKCHA-IAROGAJJSA-N 1 2 205.261 1.201 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccnc1C ZINC000529880923 388595985 /nfs/dbraw/zinc/59/59/85/388595985.db2.gz IPVMBGCMHRSFSP-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cccnc1C ZINC000529880923 388595987 /nfs/dbraw/zinc/59/59/87/388595987.db2.gz IPVMBGCMHRSFSP-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1ccc(CN2C(=O)CN(C)C2=O)c(C)[nH+]1 ZINC000186359970 388598503 /nfs/dbraw/zinc/59/85/03/388598503.db2.gz LMNUKQJIVNXFKS-UHFFFAOYSA-N 1 2 233.271 1.092 20 0 BDADLO COC(=O)N1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000301156982 388605548 /nfs/dbraw/zinc/60/55/48/388605548.db2.gz GEQQTSJIQNDVHZ-SNVBAGLBSA-N 1 2 235.287 1.724 20 0 BDADLO CC1(C[NH2+][C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000550700389 388613751 /nfs/dbraw/zinc/61/37/51/388613751.db2.gz GTFARZDVUCQUAV-NSHDSACASA-N 1 2 243.314 1.679 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC=CCC1)c1c[nH]c[nH+]1 ZINC000548747339 388556278 /nfs/dbraw/zinc/55/62/78/388556278.db2.gz XZBDKQXWWJSHRJ-JTQLQIEISA-N 1 2 233.315 1.912 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000362974966 388562181 /nfs/dbraw/zinc/56/21/81/388562181.db2.gz COGYLIAFYIUKMN-DCAQKATOSA-N 1 2 231.336 1.589 20 0 BDADLO FC(F)COCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367533319 388565637 /nfs/dbraw/zinc/56/56/37/388565637.db2.gz JUNUWVZBAZLPAT-VIFPVBQESA-N 1 2 245.273 1.658 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1ncccc1F ZINC000528824447 388576649 /nfs/dbraw/zinc/57/66/49/388576649.db2.gz BHEYCOLGGCCJCS-WCBMZHEXSA-N 1 2 237.278 1.102 20 0 BDADLO C[C@@H](CCc1ccco1)[NH2+]Cc1cn[nH]n1 ZINC000398296189 388686164 /nfs/dbraw/zinc/68/61/64/388686164.db2.gz JKLPUSJOLXONLY-VIFPVBQESA-N 1 2 220.276 1.509 20 0 BDADLO Cn1nncc1C[NH2+]Cc1cccc(F)c1F ZINC000288451349 388627362 /nfs/dbraw/zinc/62/73/62/388627362.db2.gz MXVCOPMCMHAQJQ-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CCc1cccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000190068515 388647596 /nfs/dbraw/zinc/64/75/96/388647596.db2.gz GDLYJBLAFSIIOP-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1cccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000190068515 388647598 /nfs/dbraw/zinc/64/75/98/388647598.db2.gz GDLYJBLAFSIIOP-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO C[C@H]1OCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000329179880 388649494 /nfs/dbraw/zinc/64/94/94/388649494.db2.gz MVKWEHONMGSATK-VXNVDRBHSA-N 1 2 223.276 1.214 20 0 BDADLO Cc1cncc(=O)n1Cc1[nH+]ccn1C(F)F ZINC000551984762 388651976 /nfs/dbraw/zinc/65/19/76/388651976.db2.gz WNTPFYLSGYCEOP-UHFFFAOYSA-N 1 2 240.213 1.192 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000084857695 388661772 /nfs/dbraw/zinc/66/17/72/388661772.db2.gz CRLDJYSGFHYLBG-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000067457052 388734161 /nfs/dbraw/zinc/73/41/61/388734161.db2.gz YOPJIYHZBTVBTG-NSHDSACASA-N 1 2 247.342 1.486 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000067457052 388734163 /nfs/dbraw/zinc/73/41/63/388734163.db2.gz YOPJIYHZBTVBTG-NSHDSACASA-N 1 2 247.342 1.486 20 0 BDADLO OCC[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128024186 388736300 /nfs/dbraw/zinc/73/63/00/388736300.db2.gz LGGYXUAYCIPIGZ-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO OCC[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128024186 388736301 /nfs/dbraw/zinc/73/63/01/388736301.db2.gz LGGYXUAYCIPIGZ-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2ccsc2)C1 ZINC000552981405 388743714 /nfs/dbraw/zinc/74/37/14/388743714.db2.gz PEHGRKVMCWVGEP-UHFFFAOYSA-N 1 2 238.356 1.706 20 0 BDADLO COC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000251829346 388754463 /nfs/dbraw/zinc/75/44/63/388754463.db2.gz PKVAFUOYFQCNAG-NXEZZACHSA-N 1 2 220.272 1.327 20 0 BDADLO Cc1noc(CCNc2cccc[nH+]2)n1 ZINC000226026335 388696880 /nfs/dbraw/zinc/69/68/80/388696880.db2.gz AWTGRRNBBUBXGD-UHFFFAOYSA-N 1 2 204.233 1.428 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000248874927 388697636 /nfs/dbraw/zinc/69/76/36/388697636.db2.gz CIEMEFMBTURULW-PWSUYJOCSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000248874927 388697638 /nfs/dbraw/zinc/69/76/38/388697638.db2.gz CIEMEFMBTURULW-PWSUYJOCSA-N 1 2 229.320 1.439 20 0 BDADLO CC1(CC(F)F)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000649018002 388705830 /nfs/dbraw/zinc/70/58/30/388705830.db2.gz BSKUQMGXEKREID-UHFFFAOYSA-N 1 2 243.257 1.387 20 0 BDADLO CCCCC[N@H+](CCO)Cc1csnn1 ZINC000126891859 388708160 /nfs/dbraw/zinc/70/81/60/388708160.db2.gz LQJAXAXAGZRCRH-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1csnn1 ZINC000126891859 388708162 /nfs/dbraw/zinc/70/81/62/388708162.db2.gz LQJAXAXAGZRCRH-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO Cc1oncc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000128966141 388806475 /nfs/dbraw/zinc/80/64/75/388806475.db2.gz GCPFUZHAXBTMNO-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1oncc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000128966141 388806478 /nfs/dbraw/zinc/80/64/78/388806478.db2.gz GCPFUZHAXBTMNO-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO CCOCCNc1nc[nH+]c(N)c1Cl ZINC000227848315 388759497 /nfs/dbraw/zinc/75/94/97/388759497.db2.gz IURUPSAABIDQNK-UHFFFAOYSA-N 1 2 216.672 1.161 20 0 BDADLO CCOCCNc1[nH+]cnc(N)c1Cl ZINC000227848315 388759500 /nfs/dbraw/zinc/75/95/00/388759500.db2.gz IURUPSAABIDQNK-UHFFFAOYSA-N 1 2 216.672 1.161 20 0 BDADLO c1c[nH+]c(COCCOC[C@@H]2CCCO2)[nH]1 ZINC000553846308 388791015 /nfs/dbraw/zinc/79/10/15/388791015.db2.gz FCIKPGFSRNJPAQ-JTQLQIEISA-N 1 2 226.276 1.122 20 0 BDADLO Cc1cc(NCC[C@@H]2CCOC2)nc[nH+]1 ZINC000230103381 388816518 /nfs/dbraw/zinc/81/65/18/388816518.db2.gz UMASDNDBHHSFAD-SNVBAGLBSA-N 1 2 207.277 1.624 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284563267 388830445 /nfs/dbraw/zinc/83/04/45/388830445.db2.gz NROLWNOYZHUXGL-NSHDSACASA-N 1 2 239.319 1.036 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284563267 388830450 /nfs/dbraw/zinc/83/04/50/388830450.db2.gz NROLWNOYZHUXGL-NSHDSACASA-N 1 2 239.319 1.036 20 0 BDADLO CCCc1noc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000126784953 388834890 /nfs/dbraw/zinc/83/48/90/388834890.db2.gz WTDDFFIUPCOPIH-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccno1 ZINC000541051481 388837956 /nfs/dbraw/zinc/83/79/56/388837956.db2.gz JRUOGNFYILOIGX-LBPRGKRZSA-N 1 2 248.282 1.506 20 0 BDADLO Cc1cccc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000523448597 388840078 /nfs/dbraw/zinc/84/00/78/388840078.db2.gz ZWGYAHSFWANRQE-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO CSC[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523688900 388853260 /nfs/dbraw/zinc/85/32/60/388853260.db2.gz OQDALAAVRUQYFN-SECBINFHSA-N 1 2 239.344 1.266 20 0 BDADLO O=c1cc(C[N@@H+]2CCC23CCC3)nc2cc[nH]n21 ZINC000555359768 388846550 /nfs/dbraw/zinc/84/65/50/388846550.db2.gz RUOWCDNEOAZHAI-UHFFFAOYSA-N 1 2 244.298 1.151 20 0 BDADLO O=c1cc(C[N@H+]2CCC23CCC3)nc2cc[nH]n21 ZINC000555359768 388846552 /nfs/dbraw/zinc/84/65/52/388846552.db2.gz RUOWCDNEOAZHAI-UHFFFAOYSA-N 1 2 244.298 1.151 20 0 BDADLO Cc1cnn(CC[N@@H+](C)[C@@H](C)c2nc(C)no2)c1 ZINC000564665229 388882870 /nfs/dbraw/zinc/88/28/70/388882870.db2.gz HMJMYUMXFBUWCP-JTQLQIEISA-N 1 2 249.318 1.576 20 0 BDADLO Cc1cnn(CC[N@H+](C)[C@@H](C)c2nc(C)no2)c1 ZINC000564665229 388882872 /nfs/dbraw/zinc/88/28/72/388882872.db2.gz HMJMYUMXFBUWCP-JTQLQIEISA-N 1 2 249.318 1.576 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000649168923 388888024 /nfs/dbraw/zinc/88/80/24/388888024.db2.gz JZIKRJMTZLUDCX-OPRDCNLKSA-N 1 2 219.288 1.637 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000564531375 388876895 /nfs/dbraw/zinc/87/68/95/388876895.db2.gz JKMWRCPMMPPMQQ-AAEUAGOBSA-N 1 2 249.358 1.905 20 0 BDADLO CCCN(C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000565175093 388921819 /nfs/dbraw/zinc/92/18/19/388921819.db2.gz VYLBCHAUHMSEES-UHFFFAOYSA-N 1 2 238.335 1.750 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCC1CCCC1 ZINC000565221725 388928078 /nfs/dbraw/zinc/92/80/78/388928078.db2.gz LEHWNWAMBBTPAE-UHFFFAOYSA-N 1 2 246.318 1.378 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000565342398 388938527 /nfs/dbraw/zinc/93/85/27/388938527.db2.gz OAMPUDFICRIWFE-LLVKDONJSA-N 1 2 220.272 1.044 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000565342398 388938530 /nfs/dbraw/zinc/93/85/30/388938530.db2.gz OAMPUDFICRIWFE-LLVKDONJSA-N 1 2 220.272 1.044 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(F)F ZINC000565373617 388940638 /nfs/dbraw/zinc/94/06/38/388940638.db2.gz QGZKOHLNHSNXFD-DTWKUNHWSA-N 1 2 234.290 1.487 20 0 BDADLO CCN(CCC1CC1)C(=O)Cc1c[nH+]cn1C ZINC000565440301 388945982 /nfs/dbraw/zinc/94/59/82/388945982.db2.gz FUIMDFZLPRIQRC-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@H]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000565911730 388978551 /nfs/dbraw/zinc/97/85/51/388978551.db2.gz LWPICKWKDNVNBM-JSGCOSHPSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCc1ccccc1 ZINC000266972556 388997960 /nfs/dbraw/zinc/99/79/60/388997960.db2.gz MKKJLZNFJQFIOD-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)C(C)C ZINC000267201584 388999942 /nfs/dbraw/zinc/99/99/42/388999942.db2.gz LMVWQDISESFQLB-QMMMGPOBSA-N 1 2 209.293 1.626 20 0 BDADLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1nccs1 ZINC000273340011 389039834 /nfs/dbraw/zinc/03/98/34/389039834.db2.gz WGXUOWDXKKYRJY-LURJTMIESA-N 1 2 249.286 1.175 20 0 BDADLO Cc1nc(N2CCCC[C@H]2CCO)cc[nH+]1 ZINC000054937125 132365038 /nfs/dbraw/zinc/36/50/38/132365038.db2.gz TUVUXYINGJOTET-NSHDSACASA-N 1 2 221.304 1.526 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)s2)C1 ZINC000510111688 533293602 /nfs/dbraw/zinc/29/36/02/533293602.db2.gz FUCLTVSKQMKRLW-DTORHVGOSA-N 1 2 227.333 1.456 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)s2)C1 ZINC000510111688 533293607 /nfs/dbraw/zinc/29/36/07/533293607.db2.gz FUCLTVSKQMKRLW-DTORHVGOSA-N 1 2 227.333 1.456 20 0 BDADLO CON(CC(C)(C)C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493360913 533306556 /nfs/dbraw/zinc/30/65/56/533306556.db2.gz ALIICTVJYBSBSQ-WAYWQWQTSA-N 1 2 237.303 1.859 20 0 BDADLO C[C@@H]1CCCN(C(=O)/C=C\c2[nH]cc[nH+]2)[C@@H]1CO ZINC000493189736 533637624 /nfs/dbraw/zinc/63/76/24/533637624.db2.gz MWEFATTXIXODAI-WQMVXFAESA-N 1 2 249.314 1.042 20 0 BDADLO Cc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)on1 ZINC000493628413 533642012 /nfs/dbraw/zinc/64/20/12/533642012.db2.gz QTMHFDMEIWFFGE-NSCUHMNNSA-N 1 2 232.243 1.036 20 0 BDADLO CC(C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276577141 166804802 /nfs/dbraw/zinc/80/48/02/166804802.db2.gz LEQGQLILXMXXJD-AATRIKPKSA-N 1 2 221.304 1.975 20 0 BDADLO Cc1cc(N2CCO[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000264600965 132178771 /nfs/dbraw/zinc/17/87/71/132178771.db2.gz BNSNXPUBMNQYHV-SNVBAGLBSA-N 1 2 233.315 1.888 20 0 BDADLO COC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000264878856 132180340 /nfs/dbraw/zinc/18/03/40/132180340.db2.gz CHAWJILUONZKKI-NSHDSACASA-N 1 2 206.289 1.944 20 0 BDADLO COC(=O)[C@H]1CC12CCN(c1cccc[nH+]1)CC2 ZINC000265046477 132181153 /nfs/dbraw/zinc/18/11/53/132181153.db2.gz KXIXQFQKMKZDJL-LLVKDONJSA-N 1 2 246.310 1.861 20 0 BDADLO Cc1nc2n(n1)CCN(c1cccc[nH+]1)C2 ZINC000267433761 132189960 /nfs/dbraw/zinc/18/99/60/132189960.db2.gz XJWTTWAFKASWRS-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO CS(=O)(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000274051521 132202456 /nfs/dbraw/zinc/20/24/56/132202456.db2.gz LEGHXPJUEXRSGE-JTQLQIEISA-N 1 2 240.328 1.095 20 0 BDADLO Cc1nc(N2CCC(=O)[C@H](C)C2)cc[nH+]1 ZINC000276238103 132206563 /nfs/dbraw/zinc/20/65/63/132206563.db2.gz ZSTYHGXOBFZJII-MRVPVSSYSA-N 1 2 205.261 1.200 20 0 BDADLO c1ccc(N2CCO[C@]3(CCCOC3)C2)[nH+]c1 ZINC000286554422 132215174 /nfs/dbraw/zinc/21/51/74/132215174.db2.gz KABYTNDIOUEVAG-CYBMUJFWSA-N 1 2 234.299 1.467 20 0 BDADLO Cc1nc(N2CCC3(CC2)OCCCO3)cc[nH+]1 ZINC000292675323 132219065 /nfs/dbraw/zinc/21/90/65/132219065.db2.gz DHNYYSRSDSWZCG-UHFFFAOYSA-N 1 2 249.314 1.518 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@](C)(F)C1 ZINC000294969510 132220059 /nfs/dbraw/zinc/22/00/59/132220059.db2.gz OGBJGXCSTNZLQW-LBPRGKRZSA-N 1 2 249.293 1.692 20 0 BDADLO CO[C@@H]1CCN(c2cccc[nH+]2)C[C@H]1C ZINC000336271507 132245876 /nfs/dbraw/zinc/24/58/76/132245876.db2.gz WVPHIXAGJKCBJI-GHMZBOCLSA-N 1 2 206.289 1.943 20 0 BDADLO C[C@@H]1OCCN(c2cc(NC3CC3)[nH+]cn2)[C@H]1C ZINC000334056123 132246835 /nfs/dbraw/zinc/24/68/35/132246835.db2.gz VJVHAJFIWVNYLC-UWVGGRQHSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@@H]1OCCN(c2cc(NC3CC3)nc[nH+]2)[C@H]1C ZINC000334056123 132246836 /nfs/dbraw/zinc/24/68/36/132246836.db2.gz VJVHAJFIWVNYLC-UWVGGRQHSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@@H]1COCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000334062042 132246959 /nfs/dbraw/zinc/24/69/59/132246959.db2.gz ZAQPKUFYDSJSFR-SECBINFHSA-N 1 2 234.303 1.276 20 0 BDADLO C[C@@H]1COCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000334062042 132246961 /nfs/dbraw/zinc/24/69/61/132246961.db2.gz ZAQPKUFYDSJSFR-SECBINFHSA-N 1 2 234.303 1.276 20 0 BDADLO CCC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000336555166 132248861 /nfs/dbraw/zinc/24/88/61/132248861.db2.gz MIRXQSJKYSIOCV-UHFFFAOYSA-N 1 2 233.315 1.449 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@@H](C)O1 ZINC000301233545 132252169 /nfs/dbraw/zinc/25/21/69/132252169.db2.gz GNQFBLYAUYHVFA-GHMZBOCLSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)nc[nH+]1 ZINC000301283016 132252722 /nfs/dbraw/zinc/25/27/22/132252722.db2.gz ULRISSCJOFLSET-NSHDSACASA-N 1 2 248.330 1.267 20 0 BDADLO CC[C@H]1COCCN1c1cc(C)[nH+]cn1 ZINC000301320659 132253247 /nfs/dbraw/zinc/25/32/47/132253247.db2.gz SERITRUXRRGWNR-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1nc(N2CCC(O)CC2)c(C)c(C)[nH+]1 ZINC000301454884 132254203 /nfs/dbraw/zinc/25/42/03/132254203.db2.gz VXPGMXNVOLDYJD-UHFFFAOYSA-N 1 2 221.304 1.363 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2c2ncccn2)[nH]1 ZINC000301576231 132254898 /nfs/dbraw/zinc/25/48/98/132254898.db2.gz MGGFRICRWJQNPH-JTQLQIEISA-N 1 2 229.287 1.931 20 0 BDADLO Cc1nc(N2CCC[C@@H]([C@@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000301787489 132257255 /nfs/dbraw/zinc/25/72/55/132257255.db2.gz PXHBZNNELLHJEM-DGCLKSJQSA-N 1 2 249.358 1.999 20 0 BDADLO c1ccc(N2CCO[C@@H](COCC3CC3)C2)[nH+]c1 ZINC000302349012 132262822 /nfs/dbraw/zinc/26/28/22/132262822.db2.gz ATUGMKLNHKRSLG-CYBMUJFWSA-N 1 2 248.326 1.713 20 0 BDADLO CC[C@@]1(CO)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000302346186 132262982 /nfs/dbraw/zinc/26/29/82/132262982.db2.gz AXHXLRZXCLLYHH-CYBMUJFWSA-N 1 2 235.331 1.774 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cn2)C[C@H]1C ZINC000302786823 132266179 /nfs/dbraw/zinc/26/61/79/132266179.db2.gz WNZHNFVDNAHADJ-KOLCDFICSA-N 1 2 249.314 1.420 20 0 BDADLO Cc1nc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc[nH+]1 ZINC000357748340 132274873 /nfs/dbraw/zinc/27/48/73/132274873.db2.gz KNTISZHBDTZIJH-HQJPKXNMSA-N 1 2 239.344 1.131 20 0 BDADLO CC[C@H]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000359151264 132275798 /nfs/dbraw/zinc/27/57/98/132275798.db2.gz TYQQJJADWDVRKJ-NSHDSACASA-N 1 2 249.362 1.872 20 0 BDADLO CC[C@H]1CCCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000359151264 132275801 /nfs/dbraw/zinc/27/58/01/132275801.db2.gz TYQQJJADWDVRKJ-NSHDSACASA-N 1 2 249.362 1.872 20 0 BDADLO Cc1cc(N2CCO[C@]3(CCO[C@@H]3C)C2)nc[nH+]1 ZINC000359871831 132278169 /nfs/dbraw/zinc/27/81/69/132278169.db2.gz HNHJSXUJYFIICQ-DGCLKSJQSA-N 1 2 249.314 1.169 20 0 BDADLO O=C1C[N@H+](CCCCO)CCN1c1ccccc1 ZINC000360610427 132278714 /nfs/dbraw/zinc/27/87/14/132278714.db2.gz JLHDWUVXHOXHGW-UHFFFAOYSA-N 1 2 248.326 1.108 20 0 BDADLO O=C1C[N@@H+](CCCCO)CCN1c1ccccc1 ZINC000360610427 132278716 /nfs/dbraw/zinc/27/87/16/132278716.db2.gz JLHDWUVXHOXHGW-UHFFFAOYSA-N 1 2 248.326 1.108 20 0 BDADLO c1cc(N2CCO[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000362679403 132281629 /nfs/dbraw/zinc/28/16/29/132281629.db2.gz FILZSBHTRNEOGG-GFCCVEGCSA-N 1 2 245.326 1.969 20 0 BDADLO CCC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000362958370 132282252 /nfs/dbraw/zinc/28/22/52/132282252.db2.gz QCJFEJNCOFKYNZ-UHFFFAOYSA-N 1 2 248.330 1.280 20 0 BDADLO C[C@H](O)C1CCN(c2cccc[nH+]2)CC1 ZINC000225738846 132291620 /nfs/dbraw/zinc/29/16/20/132291620.db2.gz IFVGQVYTHOUMID-JTQLQIEISA-N 1 2 206.289 1.679 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cn(C)cn2)c[nH+]1 ZINC000334746773 133730453 /nfs/dbraw/zinc/73/04/53/133730453.db2.gz BOBVWGQNBBFOAS-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1sccc1CC(=O)NCc1[nH+]ccn1C ZINC000345472451 133769228 /nfs/dbraw/zinc/76/92/28/133769228.db2.gz VXJAYQGETXICEC-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351957062 134016328 /nfs/dbraw/zinc/01/63/28/134016328.db2.gz IZQYPNSAPFRQAF-JQWIXIFHSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351957062 134016329 /nfs/dbraw/zinc/01/63/29/134016329.db2.gz IZQYPNSAPFRQAF-JQWIXIFHSA-N 1 2 241.331 1.439 20 0 BDADLO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335947699 134020844 /nfs/dbraw/zinc/02/08/44/134020844.db2.gz HOPAERSAVFHTNU-SSDOTTSWSA-N 1 2 243.694 1.176 20 0 BDADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335947699 134020845 /nfs/dbraw/zinc/02/08/45/134020845.db2.gz HOPAERSAVFHTNU-SSDOTTSWSA-N 1 2 243.694 1.176 20 0 BDADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC(F)C1 ZINC000335992898 134041304 /nfs/dbraw/zinc/04/13/04/134041304.db2.gz VWMCMZUDHLWIEF-UHFFFAOYSA-N 1 2 245.257 1.666 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)[C@@H]1CCCOC1 ZINC000335996947 134042870 /nfs/dbraw/zinc/04/28/70/134042870.db2.gz IAFYZSYKNAREBF-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000335996947 134042871 /nfs/dbraw/zinc/04/28/71/134042871.db2.gz IAFYZSYKNAREBF-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1c[nH+]cc1Cn1cnc(-c2nccs2)n1 ZINC000352043016 134045554 /nfs/dbraw/zinc/04/55/54/134045554.db2.gz YWTLUWDHCAWNEI-UHFFFAOYSA-N 1 2 246.299 1.183 20 0 BDADLO COCC[N@H+](CC[C@H](C)F)CC(F)F ZINC000352051131 134047052 /nfs/dbraw/zinc/04/70/52/134047052.db2.gz YXGNGZXRXRKMHW-QMMMGPOBSA-N 1 2 213.243 1.948 20 0 BDADLO COCC[N@@H+](CC[C@H](C)F)CC(F)F ZINC000352051131 134047053 /nfs/dbraw/zinc/04/70/53/134047053.db2.gz YXGNGZXRXRKMHW-QMMMGPOBSA-N 1 2 213.243 1.948 20 0 BDADLO CN(c1[nH+]c2ccccc2n1C)C1CC(O)C1 ZINC000336004672 134048469 /nfs/dbraw/zinc/04/84/69/134048469.db2.gz MLKDAYDLSZUJTP-UHFFFAOYSA-N 1 2 231.299 1.533 20 0 BDADLO CC(C)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022208 134056136 /nfs/dbraw/zinc/05/61/36/134056136.db2.gz HVJDNXWOEHMPNL-SECBINFHSA-N 1 2 236.319 1.222 20 0 BDADLO CC(C)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022208 134056137 /nfs/dbraw/zinc/05/61/37/134056137.db2.gz HVJDNXWOEHMPNL-SECBINFHSA-N 1 2 236.319 1.222 20 0 BDADLO CC[C@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022132 134056215 /nfs/dbraw/zinc/05/62/15/134056215.db2.gz AHSBAEPOFSHSKE-IUCAKERBSA-N 1 2 236.319 1.365 20 0 BDADLO CC[C@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022132 134056216 /nfs/dbraw/zinc/05/62/16/134056216.db2.gz AHSBAEPOFSHSKE-IUCAKERBSA-N 1 2 236.319 1.365 20 0 BDADLO Cc1nsc(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000336029092 134057939 /nfs/dbraw/zinc/05/79/39/134057939.db2.gz BJQFYBNNUUJJKV-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1nocc1C[N@H+]1CCN(C)CC[C@H]1C ZINC000336039923 134061087 /nfs/dbraw/zinc/06/10/87/134061087.db2.gz KLOTZIISVIHSHI-SNVBAGLBSA-N 1 2 223.320 1.509 20 0 BDADLO Cc1nocc1C[N@@H+]1CCN(C)CC[C@H]1C ZINC000336039923 134061088 /nfs/dbraw/zinc/06/10/88/134061088.db2.gz KLOTZIISVIHSHI-SNVBAGLBSA-N 1 2 223.320 1.509 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000352115568 134072157 /nfs/dbraw/zinc/07/21/57/134072157.db2.gz MFTZBQNDFLLKKG-JGVFFNPUSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000352115568 134072158 /nfs/dbraw/zinc/07/21/58/134072158.db2.gz MFTZBQNDFLLKKG-JGVFFNPUSA-N 1 2 213.281 1.406 20 0 BDADLO Cc1ccn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1 ZINC000336075014 134072991 /nfs/dbraw/zinc/07/29/91/134072991.db2.gz HSGMIFHGELUZHV-BETUJISGSA-N 1 2 248.326 1.020 20 0 BDADLO Cc1ccn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1 ZINC000336075014 134072992 /nfs/dbraw/zinc/07/29/92/134072992.db2.gz HSGMIFHGELUZHV-BETUJISGSA-N 1 2 248.326 1.020 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC000336114039 134087909 /nfs/dbraw/zinc/08/79/09/134087909.db2.gz MWOUQZNBUDXNPP-LLVKDONJSA-N 1 2 247.342 1.926 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1CCO ZINC000336119170 134089588 /nfs/dbraw/zinc/08/95/88/134089588.db2.gz HMXBOEJZHZHBKW-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336161253 134110894 /nfs/dbraw/zinc/11/08/94/134110894.db2.gz RSCKXEBJOMAPRT-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)C[C@H](C)S1 ZINC000336201044 134130312 /nfs/dbraw/zinc/13/03/12/134130312.db2.gz NXBYFQMUPJCCQT-OCAPTIKFSA-N 1 2 212.322 1.131 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn[nH]2)C[C@H](C)S1 ZINC000336201044 134130313 /nfs/dbraw/zinc/13/03/13/134130313.db2.gz NXBYFQMUPJCCQT-OCAPTIKFSA-N 1 2 212.322 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@H](C)S1 ZINC000336201044 134130314 /nfs/dbraw/zinc/13/03/14/134130314.db2.gz NXBYFQMUPJCCQT-OCAPTIKFSA-N 1 2 212.322 1.131 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@H](C)S1 ZINC000336201044 134130315 /nfs/dbraw/zinc/13/03/15/134130315.db2.gz NXBYFQMUPJCCQT-OCAPTIKFSA-N 1 2 212.322 1.131 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC(C)(C)O2)c[nH+]1 ZINC000336209635 134133619 /nfs/dbraw/zinc/13/36/19/134133619.db2.gz QNFATYBRTVICLL-VIFPVBQESA-N 1 2 237.303 1.406 20 0 BDADLO O=C1C[N@H+](Cc2cccc3ccoc32)CCN1 ZINC000336217396 134138081 /nfs/dbraw/zinc/13/80/81/134138081.db2.gz FETAGLPJVNKVOL-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3ccoc32)CCN1 ZINC000336217396 134138082 /nfs/dbraw/zinc/13/80/82/134138082.db2.gz FETAGLPJVNKVOL-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336219468 134138845 /nfs/dbraw/zinc/13/88/45/134138845.db2.gz FAUWGEKRDIIJDA-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cnccc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336219468 134138846 /nfs/dbraw/zinc/13/88/46/134138846.db2.gz FAUWGEKRDIIJDA-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1CF ZINC000359581706 134195923 /nfs/dbraw/zinc/19/59/23/134195923.db2.gz HUUXWGWAWCAHFZ-JTQLQIEISA-N 1 2 239.294 1.313 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](C)SC)C(=O)OC ZINC000169071042 134248922 /nfs/dbraw/zinc/24/89/22/134248922.db2.gz YTNRILBJEUPHSM-SFYZADRCSA-N 1 2 205.323 1.279 20 0 BDADLO CC[C@H](NC(=O)c1cn(C)cn1)c1[nH]cc[nH+]1 ZINC000218081801 134251795 /nfs/dbraw/zinc/25/17/95/134251795.db2.gz KCJDOLKXCWVOAS-QMMMGPOBSA-N 1 2 233.275 1.024 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](C)C1 ZINC000218200354 134252778 /nfs/dbraw/zinc/25/27/78/134252778.db2.gz IFKXJUOZICQGAD-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](C)C1 ZINC000218200354 134252779 /nfs/dbraw/zinc/25/27/79/134252779.db2.gz IFKXJUOZICQGAD-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cc(N2CCN(C(=O)C(C)C)CC2)nc[nH+]1 ZINC000170491006 134254571 /nfs/dbraw/zinc/25/45/71/134254571.db2.gz BOQHNCKSFQJYGM-UHFFFAOYSA-N 1 2 248.330 1.090 20 0 BDADLO Cc1ccc(NC(=O)N2CCO[C@H](C)C2)c(C)[nH+]1 ZINC000176710790 134292731 /nfs/dbraw/zinc/29/27/31/134292731.db2.gz UGAUIPMFVMFZKJ-SNVBAGLBSA-N 1 2 249.314 1.951 20 0 BDADLO Cc1cc(=O)c(C(=O)Nc2cc[nH+]c(C)c2)c[nH]1 ZINC000220009186 134298677 /nfs/dbraw/zinc/29/86/77/134298677.db2.gz LESYELZVSZEMIP-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO CN(Cc1c[nH+]c2ccccn12)Cc1nc[nH]n1 ZINC000177330282 134299571 /nfs/dbraw/zinc/29/95/71/134299571.db2.gz HHMVIFUPTZAZKB-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178793180 134311334 /nfs/dbraw/zinc/31/13/34/134311334.db2.gz VKWGXDQGWFBXLZ-NSHDSACASA-N 1 2 245.282 1.355 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000178584969 134311768 /nfs/dbraw/zinc/31/17/68/134311768.db2.gz JZOVEPOFIQDJGH-OUAUKWLOSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000178584969 134311769 /nfs/dbraw/zinc/31/17/69/134311769.db2.gz JZOVEPOFIQDJGH-OUAUKWLOSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225428553 134353320 /nfs/dbraw/zinc/35/33/20/134353320.db2.gz MTASRXFTZUHNMW-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H]1COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225428553 134353321 /nfs/dbraw/zinc/35/33/21/134353321.db2.gz MTASRXFTZUHNMW-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO Cn1cc(C[NH2+]Cc2ncc(Cl)s2)cn1 ZINC000225328158 134354361 /nfs/dbraw/zinc/35/43/61/134354361.db2.gz BTCUWYLXQQHPAU-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO O=C1C[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)CN1 ZINC000225824652 134355951 /nfs/dbraw/zinc/35/59/51/134355951.db2.gz GUDLJQNWBMODHL-SSDOTTSWSA-N 1 2 245.204 1.401 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@H]2CCCO2)[nH]1 ZINC000184576652 134363547 /nfs/dbraw/zinc/36/35/47/134363547.db2.gz HPIUHIPLVGNYQN-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@H]2CCCO2)[nH]1 ZINC000184576652 134363548 /nfs/dbraw/zinc/36/35/48/134363548.db2.gz HPIUHIPLVGNYQN-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1ccoc1 ZINC000185210233 134374948 /nfs/dbraw/zinc/37/49/48/134374948.db2.gz UCNIFQHDKMLGAZ-UHFFFAOYSA-N 1 2 232.239 1.864 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185558980 134381771 /nfs/dbraw/zinc/38/17/71/134381771.db2.gz RQBJQAURVUGQCC-ZYHUDNBSSA-N 1 2 249.310 1.704 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000227769379 134393325 /nfs/dbraw/zinc/39/33/25/134393325.db2.gz BAAWNXSBRMCMKQ-WDEREUQCSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)C1CC1 ZINC000227771066 134393639 /nfs/dbraw/zinc/39/36/39/134393639.db2.gz WHXWCNXINAMMKN-HBNTYKKESA-N 1 2 241.331 1.341 20 0 BDADLO CCCCOCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227769444 134393766 /nfs/dbraw/zinc/39/37/66/134393766.db2.gz PLSHARGXEQPOBZ-NSHDSACASA-N 1 2 229.320 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152534201 134507497 /nfs/dbraw/zinc/50/74/97/134507497.db2.gz UMBJUOWYKAMPGI-UTUOFQBUSA-N 1 2 245.326 1.433 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnn(C(C)(C)C)c2)n1 ZINC000213178884 134629078 /nfs/dbraw/zinc/62/90/78/134629078.db2.gz SJVRQNZNMHHMJM-UHFFFAOYSA-N 1 2 247.346 1.661 20 0 BDADLO COc1cccc(C[NH2+]Cc2cocn2)c1OC ZINC000237225962 134844970 /nfs/dbraw/zinc/84/49/70/134844970.db2.gz BMTZJIYQIBYXSL-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247340849 134978911 /nfs/dbraw/zinc/97/89/11/134978911.db2.gz GRLBWWKJDQUKCG-QNWHQSFQSA-N 1 2 247.342 1.949 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)CC)[C@@H](C)CC ZINC000248537757 135003949 /nfs/dbraw/zinc/00/39/49/135003949.db2.gz ADZXQAJDFJXGOW-GARJFASQSA-N 1 2 231.336 1.325 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248404964 135006329 /nfs/dbraw/zinc/00/63/29/135006329.db2.gz AKYRWHIFFFQASC-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248404964 135006330 /nfs/dbraw/zinc/00/63/30/135006330.db2.gz AKYRWHIFFFQASC-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000251334886 135069287 /nfs/dbraw/zinc/06/92/87/135069287.db2.gz PMNDGURJNCLNSV-XHNCKOQMSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000251334886 135069288 /nfs/dbraw/zinc/06/92/88/135069288.db2.gz PMNDGURJNCLNSV-XHNCKOQMSA-N 1 2 239.237 1.163 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000251961452 135082307 /nfs/dbraw/zinc/08/23/07/135082307.db2.gz VRXWAKCPVAFNAN-AXFHLTTASA-N 1 2 229.320 1.343 20 0 BDADLO Cc1noc([C@H]([NH3+])c2ccc(C)cc2)n1 ZINC000261566388 135110416 /nfs/dbraw/zinc/11/04/16/135110416.db2.gz DLBWXRRCSAOJGM-SNVBAGLBSA-N 1 2 203.245 1.735 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H](C)OC)C(C)C ZINC000252938343 135117657 /nfs/dbraw/zinc/11/76/57/135117657.db2.gz HNXQZIGVEXDRIL-KXUCPTDWSA-N 1 2 217.309 1.197 20 0 BDADLO Cc1[nH+]c2cc(NC(=O)[C@H](C)O)ccc2n1C ZINC000258785876 135133651 /nfs/dbraw/zinc/13/36/51/135133651.db2.gz IUZVIMCFQYSJCX-ZETCQYMHSA-N 1 2 233.271 1.201 20 0 BDADLO [NH3+][C@H](C(=O)N1CCCC1)c1c(F)cccc1F ZINC000257664379 135138210 /nfs/dbraw/zinc/13/82/10/135138210.db2.gz GWZVARNAYNYPGC-NSHDSACASA-N 1 2 240.253 1.587 20 0 BDADLO COc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)ccn1 ZINC000264895653 135140584 /nfs/dbraw/zinc/14/05/84/135140584.db2.gz WGGDJHPGECTPOQ-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000261334461 135150438 /nfs/dbraw/zinc/15/04/38/135150438.db2.gz YXGKNAIABGBKGQ-WCBMZHEXSA-N 1 2 203.257 1.372 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000261334461 135150439 /nfs/dbraw/zinc/15/04/39/135150439.db2.gz YXGKNAIABGBKGQ-WCBMZHEXSA-N 1 2 203.257 1.372 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCCS1 ZINC000087681515 135164506 /nfs/dbraw/zinc/16/45/06/135164506.db2.gz JWYOUEKZFIYYEJ-SECBINFHSA-N 1 2 225.317 1.312 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCCS1 ZINC000087681515 135164508 /nfs/dbraw/zinc/16/45/08/135164508.db2.gz JWYOUEKZFIYYEJ-SECBINFHSA-N 1 2 225.317 1.312 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000087786055 135171639 /nfs/dbraw/zinc/17/16/39/135171639.db2.gz HQSVUJAKWCITEJ-BDAKNGLRSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnc(N)s2)[C@H]1C ZINC000261536530 135172397 /nfs/dbraw/zinc/17/23/97/135172397.db2.gz SAFRMYFHBYGICW-YUMQZZPRSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnc(N)s2)[C@H]1C ZINC000261536530 135172399 /nfs/dbraw/zinc/17/23/99/135172399.db2.gz SAFRMYFHBYGICW-YUMQZZPRSA-N 1 2 227.333 1.335 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261553430 135192565 /nfs/dbraw/zinc/19/25/65/135192565.db2.gz SKGMVIBLVFQRIA-QMMMGPOBSA-N 1 2 218.247 1.042 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)(F)CN)C1(C)C ZINC000261598000 135236472 /nfs/dbraw/zinc/23/64/72/135236472.db2.gz ZHTJLDICDKZYLG-DTWKUNHWSA-N 1 2 236.306 1.374 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cocn2)ccn1 ZINC000342293068 135256470 /nfs/dbraw/zinc/25/64/70/135256470.db2.gz OREISFPGPYMWGI-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO O=C(Nc1ccncc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261856770 135258321 /nfs/dbraw/zinc/25/83/21/135258321.db2.gz ADBOOUNIWWINEM-MRVPVSSYSA-N 1 2 227.214 1.017 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC=CC[C@@H]1C ZINC000342386182 135269932 /nfs/dbraw/zinc/26/99/32/135269932.db2.gz LXSDVUMPSOLYRL-YNEHKIRRSA-N 1 2 247.342 1.990 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC1CC1 ZINC000342493891 135282321 /nfs/dbraw/zinc/28/23/21/135282321.db2.gz LTCHOHOJDJJKNM-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC1CC1 ZINC000342493891 135282323 /nfs/dbraw/zinc/28/23/23/135282323.db2.gz LTCHOHOJDJJKNM-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccoc1 ZINC000342645364 135300059 /nfs/dbraw/zinc/30/00/59/135300059.db2.gz CWFTWAXIZLXNDT-SNVBAGLBSA-N 1 2 211.261 1.663 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccoc1 ZINC000342645364 135300061 /nfs/dbraw/zinc/30/00/61/135300061.db2.gz CWFTWAXIZLXNDT-SNVBAGLBSA-N 1 2 211.261 1.663 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H](C)[C@H]2C)n1C ZINC000342795000 135319164 /nfs/dbraw/zinc/31/91/64/135319164.db2.gz VIMVQUUAGNXSNX-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2cscn2)n1C ZINC000342798476 135320322 /nfs/dbraw/zinc/32/03/22/135320322.db2.gz JVGAFKXWTWWNPH-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1ncc(C)n1C ZINC000342800952 135322289 /nfs/dbraw/zinc/32/22/89/135322289.db2.gz VQKMFRYRINFLAP-JTQLQIEISA-N 1 2 211.309 1.195 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1ncc(C)n1C ZINC000342800952 135322290 /nfs/dbraw/zinc/32/22/90/135322290.db2.gz VQKMFRYRINFLAP-JTQLQIEISA-N 1 2 211.309 1.195 20 0 BDADLO COC[C@H](C)N(C)Cc1[nH+]cc(C)n1C ZINC000342800952 135322292 /nfs/dbraw/zinc/32/22/92/135322292.db2.gz VQKMFRYRINFLAP-JTQLQIEISA-N 1 2 211.309 1.195 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262937646 135324061 /nfs/dbraw/zinc/32/40/61/135324061.db2.gz IMUKTFKEACMBEN-JTQLQIEISA-N 1 2 240.253 1.931 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263028813 135327207 /nfs/dbraw/zinc/32/72/07/135327207.db2.gz RPNPDMKEFUYPBG-VIFPVBQESA-N 1 2 232.274 1.290 20 0 BDADLO CC1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000334227014 135330768 /nfs/dbraw/zinc/33/07/68/135330768.db2.gz APCUTFUPIOGTNF-UDNWOFFPSA-N 1 2 246.301 1.679 20 0 BDADLO CC1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCCC1 ZINC000263222560 135339854 /nfs/dbraw/zinc/33/98/54/135339854.db2.gz MDUZHKKPXFFWKL-VIFPVBQESA-N 1 2 246.301 1.680 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@H](F)C1 ZINC000334294337 135341416 /nfs/dbraw/zinc/34/14/16/135341416.db2.gz SRXRFBIADLVZKF-UWVGGRQHSA-N 1 2 237.278 1.824 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000366796533 135343593 /nfs/dbraw/zinc/34/35/93/135343593.db2.gz LMFICSFBRHXLKU-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000366796533 135343595 /nfs/dbraw/zinc/34/35/95/135343595.db2.gz LMFICSFBRHXLKU-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1CN(C)CC[N@@H+]1Cc1ccncc1 ZINC000334324673 135353352 /nfs/dbraw/zinc/35/33/52/135353352.db2.gz AKPUKOURWUXSHC-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO C[C@@H]1CN(C)CC[N@H+]1Cc1ccncc1 ZINC000334324673 135353353 /nfs/dbraw/zinc/35/33/53/135353353.db2.gz AKPUKOURWUXSHC-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000343152685 135359269 /nfs/dbraw/zinc/35/92/69/135359269.db2.gz KTLNLUHAELJFIE-CYBMUJFWSA-N 1 2 244.294 1.904 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3cccc(F)c3)CCN12 ZINC000334345567 135365597 /nfs/dbraw/zinc/36/55/97/135365597.db2.gz UWZCFQCILOJEOO-CYBMUJFWSA-N 1 2 248.301 1.632 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3)CCN12 ZINC000334345567 135365599 /nfs/dbraw/zinc/36/55/99/135365599.db2.gz UWZCFQCILOJEOO-CYBMUJFWSA-N 1 2 248.301 1.632 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCOCC12CC2 ZINC000334346094 135365785 /nfs/dbraw/zinc/36/57/85/135365785.db2.gz PRMZHRBFYCCUGC-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccncc1C[N@H+]1CCOCC12CC2 ZINC000334346094 135365786 /nfs/dbraw/zinc/36/57/86/135365786.db2.gz PRMZHRBFYCCUGC-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000334351659 135368977 /nfs/dbraw/zinc/36/89/77/135368977.db2.gz GTGWJUCOHSQGIN-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000334351659 135368979 /nfs/dbraw/zinc/36/89/79/135368979.db2.gz GTGWJUCOHSQGIN-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cc(O)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000080356617 135369427 /nfs/dbraw/zinc/36/94/27/135369427.db2.gz CREUBQCQECQKKK-UHFFFAOYSA-N 1 2 245.282 1.926 20 0 BDADLO C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3CC3)[C@H]2C1 ZINC000334357396 135370441 /nfs/dbraw/zinc/37/04/41/135370441.db2.gz PYPHUEMGSIJAAJ-NEPJUHHUSA-N 1 2 237.347 1.132 20 0 BDADLO C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3CC3)[C@@H]2C1 ZINC000334357399 135370549 /nfs/dbraw/zinc/37/05/49/135370549.db2.gz PYPHUEMGSIJAAJ-VXGBXAGGSA-N 1 2 237.347 1.132 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000334379177 135377859 /nfs/dbraw/zinc/37/78/59/135377859.db2.gz HOQUQUCXPARNSO-HTQZYQBOSA-N 1 2 206.245 1.194 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000334383292 135379938 /nfs/dbraw/zinc/37/99/38/135379938.db2.gz HEIYHLLBMNORRE-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000334383292 135379939 /nfs/dbraw/zinc/37/99/39/135379939.db2.gz HEIYHLLBMNORRE-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO C[C@@]1(F)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000334387167 135383321 /nfs/dbraw/zinc/38/33/21/135383321.db2.gz PAVWIJPMQXNXJF-LLVKDONJSA-N 1 2 225.267 1.234 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)COC)C(=O)OCC ZINC000097988011 135633141 /nfs/dbraw/zinc/63/31/41/135633141.db2.gz AEQRUZNOWXJNMU-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](C)O)[nH+]1 ZINC000334773721 135809206 /nfs/dbraw/zinc/80/92/06/135809206.db2.gz SKGFLDGEJDIZKT-VIFPVBQESA-N 1 2 245.282 1.704 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccco1 ZINC000335004578 135863513 /nfs/dbraw/zinc/86/35/13/135863513.db2.gz MVMXUOYPOYWDJF-MEBBXXQBSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccco1 ZINC000335004578 135863514 /nfs/dbraw/zinc/86/35/14/135863514.db2.gz MVMXUOYPOYWDJF-MEBBXXQBSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335314954 136023732 /nfs/dbraw/zinc/02/37/32/136023732.db2.gz JQSKMCOOHWRWAK-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO O=C(C1=CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000335318302 136025924 /nfs/dbraw/zinc/02/59/24/136025924.db2.gz CNAHCZOAOBPQMC-UHFFFAOYSA-N 1 2 231.299 1.726 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000348159708 136041413 /nfs/dbraw/zinc/04/14/13/136041413.db2.gz NDQJEOBLNQLCOT-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000348159708 136041414 /nfs/dbraw/zinc/04/14/14/136041414.db2.gz NDQJEOBLNQLCOT-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCc1ccco1 ZINC000348215213 136046119 /nfs/dbraw/zinc/04/61/19/136046119.db2.gz FCDFGRSUMGSYCR-UHFFFAOYSA-N 1 2 248.286 1.055 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348223763 136047510 /nfs/dbraw/zinc/04/75/10/136047510.db2.gz MAODRZVBYQDNJR-INIZCTEOSA-N 1 2 247.404 1.646 20 0 BDADLO CCCCOCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348223763 136047511 /nfs/dbraw/zinc/04/75/11/136047511.db2.gz MAODRZVBYQDNJR-INIZCTEOSA-N 1 2 247.404 1.646 20 0 BDADLO O=C(CC1CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335333957 136054920 /nfs/dbraw/zinc/05/49/20/136054920.db2.gz QZORWVLJKTVTOQ-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1(C)CC1 ZINC000348278949 136059591 /nfs/dbraw/zinc/05/95/91/136059591.db2.gz OXUMVQNYIXBBEO-UHFFFAOYSA-N 1 2 220.272 1.507 20 0 BDADLO Fc1cccc2c1OCCN(Cc1[nH]cc[nH+]1)C2 ZINC000335341483 136064466 /nfs/dbraw/zinc/06/44/66/136064466.db2.gz OLLKCVYLTCCPQA-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO COC1CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000348360555 136072730 /nfs/dbraw/zinc/07/27/30/136072730.db2.gz FHRPXRJLBCFKGU-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC)cn1 ZINC000348360403 136072799 /nfs/dbraw/zinc/07/27/99/136072799.db2.gz QADCQNNCQVVGGP-JTQLQIEISA-N 1 2 236.315 1.637 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC)cn1 ZINC000348360403 136072800 /nfs/dbraw/zinc/07/28/00/136072800.db2.gz QADCQNNCQVVGGP-JTQLQIEISA-N 1 2 236.315 1.637 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccoc1 ZINC000348414433 136077476 /nfs/dbraw/zinc/07/74/76/136077476.db2.gz PSJJEEJFZKSVRS-UHFFFAOYSA-N 1 2 232.239 1.613 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547070 136097062 /nfs/dbraw/zinc/09/70/62/136097062.db2.gz CSWONGRFAPKKNI-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348576185 136099833 /nfs/dbraw/zinc/09/98/33/136099833.db2.gz IYFLYSCGMVRFCC-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348576185 136099834 /nfs/dbraw/zinc/09/98/34/136099834.db2.gz IYFLYSCGMVRFCC-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335558027 136100147 /nfs/dbraw/zinc/10/01/47/136100147.db2.gz JFBJWCNIHGTUEU-JTQLQIEISA-N 1 2 235.331 1.608 20 0 BDADLO CC[C@@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000335560001 136100793 /nfs/dbraw/zinc/10/07/93/136100793.db2.gz RATNNXKLYIPHGH-SECBINFHSA-N 1 2 221.304 1.698 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000335583683 136101304 /nfs/dbraw/zinc/10/13/04/136101304.db2.gz JLWNYUBKRCKOND-UWVGGRQHSA-N 1 2 221.329 1.475 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000335583683 136101305 /nfs/dbraw/zinc/10/13/05/136101305.db2.gz JLWNYUBKRCKOND-UWVGGRQHSA-N 1 2 221.329 1.475 20 0 BDADLO CN(CCO)c1[nH+]ccc2cc(F)ccc21 ZINC000335596284 136104909 /nfs/dbraw/zinc/10/49/09/136104909.db2.gz IIIVMLBJNFRPBJ-UHFFFAOYSA-N 1 2 220.247 1.802 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335560337 136105855 /nfs/dbraw/zinc/10/58/55/136105855.db2.gz SXJVHLAGWBDAIZ-JQWIXIFHSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367047935 136113134 /nfs/dbraw/zinc/11/31/34/136113134.db2.gz OPPNABHLNKUDTO-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@@H](C(N)=O)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156238664 397756608 /nfs/dbraw/zinc/75/66/08/397756608.db2.gz MNUHRKDHCRDDFK-QMMMGPOBSA-N 1 2 233.271 1.133 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156238664 397756614 /nfs/dbraw/zinc/75/66/14/397756614.db2.gz MNUHRKDHCRDDFK-QMMMGPOBSA-N 1 2 233.271 1.133 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000156395947 397759053 /nfs/dbraw/zinc/75/90/53/397759053.db2.gz ZPHFUMSVPDOFFM-PHIMTYICSA-N 1 2 236.290 1.771 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000156395947 397759055 /nfs/dbraw/zinc/75/90/55/397759055.db2.gz ZPHFUMSVPDOFFM-PHIMTYICSA-N 1 2 236.290 1.771 20 0 BDADLO Cc1nc(CN(C)CCCn2cc[nH+]c2)no1 ZINC000162296332 397776931 /nfs/dbraw/zinc/77/69/31/397776931.db2.gz YADWQIXOYVKINY-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO CON(Cc1[nH+]ccn1C)Cc1ccccc1 ZINC000183115197 397865254 /nfs/dbraw/zinc/86/52/54/397865254.db2.gz VAUGSOXNCYCCDS-UHFFFAOYSA-N 1 2 231.299 1.984 20 0 BDADLO Cc1ncc(CNC(=O)c2c[nH+]c(C)[nH]2)s1 ZINC000264832193 397927957 /nfs/dbraw/zinc/92/79/57/397927957.db2.gz JKGLGTSBYPIZCG-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO CC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)[C@@H](O)CC ZINC000493267577 397928695 /nfs/dbraw/zinc/92/86/95/397928695.db2.gz YYQLZMOTIDPLMW-LZCWPNQWSA-N 1 2 237.303 1.089 20 0 BDADLO COc1ccc2[nH+]c(N[C@H]3C[C@@H](O)C3)ccc2c1 ZINC000649550025 397941465 /nfs/dbraw/zinc/94/14/65/397941465.db2.gz OHJKPJHFTJJLNN-PHIMTYICSA-N 1 2 244.294 1.601 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)NCC2(C)CC2)c2[nH+]ccn21 ZINC000333148978 397941886 /nfs/dbraw/zinc/94/18/86/397941886.db2.gz HPDHGTYNSPDFCS-ZJUUUORDSA-N 1 2 248.330 1.988 20 0 BDADLO [NH3+]C[C@H]1CC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000382408631 397946973 /nfs/dbraw/zinc/94/69/73/397946973.db2.gz CHXRFUYHAJNOPD-CBAPKCEASA-N 1 2 238.360 1.377 20 0 BDADLO CCc1nsc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000382484229 397951207 /nfs/dbraw/zinc/95/12/07/397951207.db2.gz GHIHOLINUVEBPX-JGVFFNPUSA-N 1 2 226.349 1.204 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H]1CCCOC1 ZINC000414482572 397954331 /nfs/dbraw/zinc/95/43/31/397954331.db2.gz DJTOULHNZFCISK-WDEREUQCSA-N 1 2 227.304 1.097 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2snnc2C)CCO1 ZINC000649569752 397959193 /nfs/dbraw/zinc/95/91/93/397959193.db2.gz ZCVMNGKBYSWVMA-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2snnc2C)CCO1 ZINC000649569752 397959195 /nfs/dbraw/zinc/95/91/95/397959195.db2.gz ZCVMNGKBYSWVMA-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO c1cn(CCCNc2cnccn2)c[nH+]1 ZINC000020298806 397899821 /nfs/dbraw/zinc/89/98/21/397899821.db2.gz CNIPEYAILKBDBU-UHFFFAOYSA-N 1 2 203.249 1.175 20 0 BDADLO CC(C)c1nc(NCC(=O)N2CCCC2)cc[nH+]1 ZINC000110126382 397902813 /nfs/dbraw/zinc/90/28/13/397902813.db2.gz SFHCSOYMKUJEGL-UHFFFAOYSA-N 1 2 248.330 1.634 20 0 BDADLO CC(C)c1nc(N2CCS(=O)CC2)cc[nH+]1 ZINC000110541184 397903612 /nfs/dbraw/zinc/90/36/12/397903612.db2.gz TTZBRNOREJPTDM-UHFFFAOYSA-N 1 2 239.344 1.169 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)C)CCO1 ZINC000590662184 397909423 /nfs/dbraw/zinc/90/94/23/397909423.db2.gz AXVDQQCEXPQSJK-SDDRHHMPSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1nc(N2CCCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000355791850 397923705 /nfs/dbraw/zinc/92/37/05/397923705.db2.gz ZZSKAMWDTUGXHD-SNVBAGLBSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC[C@@H](C)C2)[nH+]1 ZINC000355791850 397923707 /nfs/dbraw/zinc/92/37/07/397923707.db2.gz ZZSKAMWDTUGXHD-SNVBAGLBSA-N 1 2 249.362 1.872 20 0 BDADLO C[N@H+](CC1=CCCC1)Cc1nnc2n1CCC2 ZINC000645813726 397925276 /nfs/dbraw/zinc/92/52/76/397925276.db2.gz RSDXBPBZBAHNHQ-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO C[N@@H+](CC1=CCCC1)Cc1nnc2n1CCC2 ZINC000645813726 397925280 /nfs/dbraw/zinc/92/52/80/397925280.db2.gz RSDXBPBZBAHNHQ-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO CC[C@H]1CCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000388703397 397992889 /nfs/dbraw/zinc/99/28/89/397992889.db2.gz OKESGDCYWHWTFN-DTWKUNHWSA-N 1 2 221.308 1.583 20 0 BDADLO CC[C@H]1CCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000388703397 397992894 /nfs/dbraw/zinc/99/28/94/397992894.db2.gz OKESGDCYWHWTFN-DTWKUNHWSA-N 1 2 221.308 1.583 20 0 BDADLO CCc1ccncc1NCc1[nH+]ccn1C ZINC000650242897 398004891 /nfs/dbraw/zinc/00/48/91/398004891.db2.gz BFSSSSVOJWOPPV-UHFFFAOYSA-N 1 2 216.288 1.990 20 0 BDADLO CCc1ccncc1NCc1[nH]cc[nH+]1 ZINC000650243110 398005323 /nfs/dbraw/zinc/00/53/23/398005323.db2.gz KVEFCAQHVDCZQU-UHFFFAOYSA-N 1 2 202.261 1.979 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@H](OC(C)C)C2)n1 ZINC000649698861 398048000 /nfs/dbraw/zinc/04/80/00/398048000.db2.gz CLUSDONWJYPLHL-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@H](OC(C)C)C2)n1 ZINC000649698861 398048002 /nfs/dbraw/zinc/04/80/02/398048002.db2.gz CLUSDONWJYPLHL-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nocc1CNC(=O)Nc1cc[nH+]cc1C ZINC000639900206 398037463 /nfs/dbraw/zinc/03/74/63/398037463.db2.gz RBLMSQXZJAPGQS-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO CCCCNC(=O)NCCNc1cccc[nH+]1 ZINC000045572181 398040275 /nfs/dbraw/zinc/04/02/75/398040275.db2.gz URAWUTIURJEHCP-UHFFFAOYSA-N 1 2 236.319 1.593 20 0 BDADLO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1cn[nH]c1 ZINC000649585221 397973256 /nfs/dbraw/zinc/97/32/56/397973256.db2.gz PASNLVOZJIFERX-VIFPVBQESA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1cnn(C)c1 ZINC000649584588 397973440 /nfs/dbraw/zinc/97/34/40/397973440.db2.gz ZILBZJVWMPBPLA-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)o1 ZINC000118417918 397983220 /nfs/dbraw/zinc/98/32/20/397983220.db2.gz WUVIEHSTCRKZMY-YUMQZZPRSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)o1 ZINC000118417918 397983227 /nfs/dbraw/zinc/98/32/27/397983227.db2.gz WUVIEHSTCRKZMY-YUMQZZPRSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)[C@@H]2C)o1 ZINC000118417916 397983615 /nfs/dbraw/zinc/98/36/15/397983615.db2.gz WUVIEHSTCRKZMY-JGVFFNPUSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)o1 ZINC000118417916 397983619 /nfs/dbraw/zinc/98/36/19/397983619.db2.gz WUVIEHSTCRKZMY-JGVFFNPUSA-N 1 2 227.333 1.704 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1csc(C)n1 ZINC000272756111 397985263 /nfs/dbraw/zinc/98/52/63/397985263.db2.gz BHGUETDYUJRLMR-MRVPVSSYSA-N 1 2 214.334 1.918 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1csc(C)n1 ZINC000272756111 397985264 /nfs/dbraw/zinc/98/52/64/397985264.db2.gz BHGUETDYUJRLMR-MRVPVSSYSA-N 1 2 214.334 1.918 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](OC(C)C)C2)no1 ZINC000649699812 398050107 /nfs/dbraw/zinc/05/01/07/398050107.db2.gz SHHURPYYWZDNNT-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)no1 ZINC000649699812 398050108 /nfs/dbraw/zinc/05/01/08/398050108.db2.gz SHHURPYYWZDNNT-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO CCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1CC ZINC000649722041 398066332 /nfs/dbraw/zinc/06/63/32/398066332.db2.gz HHKMMPJBYCFHAB-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000649722041 398066333 /nfs/dbraw/zinc/06/63/33/398066333.db2.gz HHKMMPJBYCFHAB-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730609 398069242 /nfs/dbraw/zinc/06/92/42/398069242.db2.gz UXIRBWUWTFUBLP-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730609 398069248 /nfs/dbraw/zinc/06/92/48/398069248.db2.gz UXIRBWUWTFUBLP-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000384141388 398070428 /nfs/dbraw/zinc/07/04/28/398070428.db2.gz DMJGOOVJBCHDBK-IONNQARKSA-N 1 2 249.343 1.839 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000649732403 398072297 /nfs/dbraw/zinc/07/22/97/398072297.db2.gz WYZOVRPEDREPQN-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnnn2CC)[C@@H](C)CO1 ZINC000649737258 398076016 /nfs/dbraw/zinc/07/60/16/398076016.db2.gz VBXAMVXVAWWROL-CMPLNLGQSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnnn2CC)[C@@H](C)CO1 ZINC000649737258 398076017 /nfs/dbraw/zinc/07/60/17/398076017.db2.gz VBXAMVXVAWWROL-CMPLNLGQSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@@H](C)CO1 ZINC000649736732 398078718 /nfs/dbraw/zinc/07/87/18/398078718.db2.gz IAEPCAVPUJCVAN-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](C)CO1 ZINC000649736732 398078719 /nfs/dbraw/zinc/07/87/19/398078719.db2.gz IAEPCAVPUJCVAN-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2ccnn2C)n1 ZINC000188963353 398094534 /nfs/dbraw/zinc/09/45/34/398094534.db2.gz AOJWAVFCZARLEK-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2ccnn2C)n1 ZINC000188963353 398094537 /nfs/dbraw/zinc/09/45/37/398094537.db2.gz AOJWAVFCZARLEK-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000496000752 398080637 /nfs/dbraw/zinc/08/06/37/398080637.db2.gz BYAKZSPAIISNQF-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000496000752 398080638 /nfs/dbraw/zinc/08/06/38/398080638.db2.gz BYAKZSPAIISNQF-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CC3(F)F)CC2)n[nH]1 ZINC000649772905 398095062 /nfs/dbraw/zinc/09/50/62/398095062.db2.gz BVAPYUMQVKYJKX-UHFFFAOYSA-N 1 2 242.273 1.734 20 0 BDADLO CCOC(=O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000603228750 398089537 /nfs/dbraw/zinc/08/95/37/398089537.db2.gz GSJVEAQNAQJSTQ-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nccn1C ZINC000649715391 398056391 /nfs/dbraw/zinc/05/63/91/398056391.db2.gz ARHIHLQAVCBECU-NSHDSACASA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nccn1C ZINC000649715391 398056393 /nfs/dbraw/zinc/05/63/93/398056393.db2.gz ARHIHLQAVCBECU-NSHDSACASA-N 1 2 237.347 1.810 20 0 BDADLO COC1(C)C[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307937662 398099302 /nfs/dbraw/zinc/09/93/02/398099302.db2.gz PEVOEKLRPHJOJL-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](COC)Nc1nc[nH+]c(N)c1Cl ZINC000234033500 398116668 /nfs/dbraw/zinc/11/66/68/398116668.db2.gz JFJJKBGXTYPFPI-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO CC[C@H](COC)Nc1[nH+]cnc(N)c1Cl ZINC000234033500 398116670 /nfs/dbraw/zinc/11/66/70/398116670.db2.gz JFJJKBGXTYPFPI-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO CCCn1ncnc1C[NH+]1CCC(C)(O)CC1 ZINC000160865522 398118775 /nfs/dbraw/zinc/11/87/75/398118775.db2.gz LUAZDSGGOASBQC-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO c1c[nH+]c(COCc2cc3n(n2)CCCC3)[nH]1 ZINC000650321991 398113540 /nfs/dbraw/zinc/11/35/40/398113540.db2.gz BMFHEHJJMQLNAV-UHFFFAOYSA-N 1 2 232.287 1.659 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649827050 398129252 /nfs/dbraw/zinc/12/92/52/398129252.db2.gz HFQBDJWIDBWAGB-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649827050 398129256 /nfs/dbraw/zinc/12/92/56/398129256.db2.gz HFQBDJWIDBWAGB-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC1(C)C ZINC000558534851 398133240 /nfs/dbraw/zinc/13/32/40/398133240.db2.gz VWTCBHCRIMHIIV-VIFPVBQESA-N 1 2 221.304 1.125 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000368503267 167020151 /nfs/dbraw/zinc/02/01/51/167020151.db2.gz KKESIWMIHZBNEV-CYBMUJFWSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@]12CCOC2 ZINC000368503267 167020154 /nfs/dbraw/zinc/02/01/54/167020154.db2.gz KKESIWMIHZBNEV-CYBMUJFWSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000071007419 167049402 /nfs/dbraw/zinc/04/94/02/167049402.db2.gz BKJQGABEDQSXCB-UHFFFAOYSA-N 1 2 221.304 1.038 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000071007419 167049404 /nfs/dbraw/zinc/04/94/04/167049404.db2.gz BKJQGABEDQSXCB-UHFFFAOYSA-N 1 2 221.304 1.038 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCSC2)no1 ZINC000668798767 487557833 /nfs/dbraw/zinc/55/78/33/487557833.db2.gz QPQYTPIFTKRDRZ-VIFPVBQESA-N 1 2 227.333 1.563 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCSC2)no1 ZINC000668798767 487557842 /nfs/dbraw/zinc/55/78/42/487557842.db2.gz QPQYTPIFTKRDRZ-VIFPVBQESA-N 1 2 227.333 1.563 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOCC23CC3)o1 ZINC000685583910 487559248 /nfs/dbraw/zinc/55/92/48/487559248.db2.gz HEETXUUUMBKMEI-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOCC23CC3)o1 ZINC000685583910 487559250 /nfs/dbraw/zinc/55/92/50/487559250.db2.gz HEETXUUUMBKMEI-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO CC(C)OC(=O)CC[N@H+](C)Cc1nccn1C ZINC000270553070 167154557 /nfs/dbraw/zinc/15/45/57/167154557.db2.gz PGULUBVWDKEEHE-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CC(C)OC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000270553070 167154560 /nfs/dbraw/zinc/15/45/60/167154560.db2.gz PGULUBVWDKEEHE-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CC(C)OC(=O)N1CCn2c[nH+]cc2C1 ZINC000296529564 167163728 /nfs/dbraw/zinc/16/37/28/167163728.db2.gz AMAJBLZWDRNYNJ-UHFFFAOYSA-N 1 2 209.249 1.244 20 0 BDADLO CC(C)SCC(=O)NC1C[NH+](C(C)C)C1 ZINC000570677383 487567576 /nfs/dbraw/zinc/56/75/76/487567576.db2.gz AYCFKBVNSOWNKL-UHFFFAOYSA-N 1 2 230.377 1.337 20 0 BDADLO c1nc(C[NH+]2CC(C3CCOCC3)C2)co1 ZINC000669716078 487568982 /nfs/dbraw/zinc/56/89/82/487568982.db2.gz FXKOJFBDRDBNHX-UHFFFAOYSA-N 1 2 222.288 1.533 20 0 BDADLO C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@H]1C ZINC000674412183 487570556 /nfs/dbraw/zinc/57/05/56/487570556.db2.gz WDQRQJZCGHZSAB-GHMZBOCLSA-N 1 2 243.314 1.755 20 0 BDADLO CC(C)OCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353268108 167234425 /nfs/dbraw/zinc/23/44/25/167234425.db2.gz QLJMTGNDQSWXMO-SNVBAGLBSA-N 1 2 237.290 1.767 20 0 BDADLO CC(C)OCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353268108 167234429 /nfs/dbraw/zinc/23/44/29/167234429.db2.gz QLJMTGNDQSWXMO-SNVBAGLBSA-N 1 2 237.290 1.767 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]2COC)no1 ZINC000674470399 487584426 /nfs/dbraw/zinc/58/44/26/487584426.db2.gz PHALJXYVBCFGMK-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]2COC)no1 ZINC000674470399 487584432 /nfs/dbraw/zinc/58/44/32/487584432.db2.gz PHALJXYVBCFGMK-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CC[N@H+](CCCc1cnn(C)c1)CC(F)F ZINC000680430782 487592656 /nfs/dbraw/zinc/59/26/56/487592656.db2.gz LGUDPHULNIVARD-UHFFFAOYSA-N 1 2 231.290 1.940 20 0 BDADLO CC[N@@H+](CCCc1cnn(C)c1)CC(F)F ZINC000680430782 487592663 /nfs/dbraw/zinc/59/26/63/487592663.db2.gz LGUDPHULNIVARD-UHFFFAOYSA-N 1 2 231.290 1.940 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)c1 ZINC000668825250 487608629 /nfs/dbraw/zinc/60/86/29/487608629.db2.gz MGCJXZJRJCBUEM-LBPRGKRZSA-N 1 2 244.285 1.881 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@](C)(C(F)F)C2)c1 ZINC000668825250 487608635 /nfs/dbraw/zinc/60/86/35/487608635.db2.gz MGCJXZJRJCBUEM-LBPRGKRZSA-N 1 2 244.285 1.881 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](Cc2ccccn2)CCO1 ZINC000662371694 409678986 /nfs/dbraw/zinc/67/89/86/409678986.db2.gz NZFCGVNZGRMSOZ-LBPRGKRZSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccccn2)CCO1 ZINC000662371694 409678994 /nfs/dbraw/zinc/67/89/94/409678994.db2.gz NZFCGVNZGRMSOZ-LBPRGKRZSA-N 1 2 242.269 1.938 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC3CC2(C)C3)[nH]1 ZINC000662385309 409690264 /nfs/dbraw/zinc/69/02/64/409690264.db2.gz RSDOBWGBNMKMKC-UHFFFAOYSA-N 1 2 220.320 1.912 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC3CC2(C)C3)[nH]1 ZINC000662385309 409690267 /nfs/dbraw/zinc/69/02/67/409690267.db2.gz RSDOBWGBNMKMKC-UHFFFAOYSA-N 1 2 220.320 1.912 20 0 BDADLO C[C@H](O)C[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660768242 409728189 /nfs/dbraw/zinc/72/81/89/409728189.db2.gz QZBHCFBAHUEELW-JQWIXIFHSA-N 1 2 246.314 1.207 20 0 BDADLO C[C@H](O)C[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660768242 409728198 /nfs/dbraw/zinc/72/81/98/409728198.db2.gz QZBHCFBAHUEELW-JQWIXIFHSA-N 1 2 246.314 1.207 20 0 BDADLO COC(=O)[C@@H](C)CSCc1c[nH+]cn1C ZINC000085191490 409916162 /nfs/dbraw/zinc/91/61/62/409916162.db2.gz FGLZOGVABCEROP-QMMMGPOBSA-N 1 2 228.317 1.462 20 0 BDADLO C[N@H+](CC(=O)NC1CC1)Cc1ccccc1F ZINC000048812593 409918343 /nfs/dbraw/zinc/91/83/43/409918343.db2.gz RGCCGNYEKYADHU-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccccc1F ZINC000048812593 409918352 /nfs/dbraw/zinc/91/83/52/409918352.db2.gz RGCCGNYEKYADHU-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CC2(F)CC2)CCO1 ZINC000668827723 487612845 /nfs/dbraw/zinc/61/28/45/487612845.db2.gz ZPLBNQNCTOHHGQ-SECBINFHSA-N 1 2 223.238 1.845 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CC2(F)CC2)CCO1 ZINC000668827723 487612850 /nfs/dbraw/zinc/61/28/50/487612850.db2.gz ZPLBNQNCTOHHGQ-SECBINFHSA-N 1 2 223.238 1.845 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N2CC=CCC2)c2[nH+]ccn21 ZINC000653175709 410152462 /nfs/dbraw/zinc/15/24/62/410152462.db2.gz UOEQUOVOHABPRL-GHMZBOCLSA-N 1 2 246.314 1.860 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)c1ccco1)c1[nH]cc[nH+]1 ZINC000655401796 410204997 /nfs/dbraw/zinc/20/49/97/410204997.db2.gz FRYTZKPZKCUFBZ-RKDXNWHRSA-N 1 2 233.271 1.984 20 0 BDADLO Cc1ccn(CCc2c[nH+]cn2C)c(=O)c1 ZINC000663974265 410414374 /nfs/dbraw/zinc/41/43/74/410414374.db2.gz QVNCYCQBAMIMDZ-UHFFFAOYSA-N 1 2 217.272 1.133 20 0 BDADLO Cc1cc(NC/C=C\CO)nc(C2CC2)[nH+]1 ZINC000664238645 410523219 /nfs/dbraw/zinc/52/32/19/410523219.db2.gz YWTDIPAPNFUELW-IHWYPQMZSA-N 1 2 219.288 1.623 20 0 BDADLO Cc1cc(NC/C=C/CO)nc(C2CC2)[nH+]1 ZINC000664238659 410523663 /nfs/dbraw/zinc/52/36/63/410523663.db2.gz YWTDIPAPNFUELW-NSCUHMNNSA-N 1 2 219.288 1.623 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC2(CCC2)C1 ZINC000661361866 410584557 /nfs/dbraw/zinc/58/45/57/410584557.db2.gz UYCYBRNSPLOHRF-UHFFFAOYSA-N 1 2 248.330 1.884 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC2(CCC2)C1 ZINC000661361866 410584562 /nfs/dbraw/zinc/58/45/62/410584562.db2.gz UYCYBRNSPLOHRF-UHFFFAOYSA-N 1 2 248.330 1.884 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@@](C)(CO)C2)cc[nH+]1 ZINC000664599666 410611399 /nfs/dbraw/zinc/61/13/99/410611399.db2.gz XOMZHBCIGIJLEF-BXKDBHETSA-N 1 2 221.304 1.240 20 0 BDADLO COCCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661401872 410615416 /nfs/dbraw/zinc/61/54/16/410615416.db2.gz RQRAHQVVNUQHFT-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO COCCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661401872 410615421 /nfs/dbraw/zinc/61/54/21/410615421.db2.gz RQRAHQVVNUQHFT-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO C[C@@H]1C[NH+](CCc2cscn2)C[C@@H](C)C1=O ZINC000661539419 410739830 /nfs/dbraw/zinc/73/98/30/410739830.db2.gz RTFBBSUUHZHPCJ-NXEZZACHSA-N 1 2 238.356 1.843 20 0 BDADLO C/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000624656535 410677393 /nfs/dbraw/zinc/67/73/93/410677393.db2.gz SUBJEAZTDSJCEG-WAYWQWQTSA-N 1 2 207.281 1.234 20 0 BDADLO C/C=C\CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000624656535 410677398 /nfs/dbraw/zinc/67/73/98/410677398.db2.gz SUBJEAZTDSJCEG-WAYWQWQTSA-N 1 2 207.281 1.234 20 0 BDADLO CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651083304 410787785 /nfs/dbraw/zinc/78/77/85/410787785.db2.gz WLCNYWAEASQJTB-UHFFFAOYSA-N 1 2 221.304 1.240 20 0 BDADLO CCCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651084457 410789429 /nfs/dbraw/zinc/78/94/29/410789429.db2.gz HVZDENFGDOPHKD-NSHDSACASA-N 1 2 239.319 1.065 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC000651165389 410840674 /nfs/dbraw/zinc/84/06/74/410840674.db2.gz CFMHPRJTCQENKY-VHSXEESVSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@@H](CC(=O)Nc1c[nH]ccc1=O)n1cc[nH+]c1 ZINC000651236068 410874304 /nfs/dbraw/zinc/87/43/04/410874304.db2.gz UBXOKNCUMJCOIC-VIFPVBQESA-N 1 2 246.270 1.161 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651255476 410880447 /nfs/dbraw/zinc/88/04/47/410880447.db2.gz WRONAUAIWRLOHO-RYUDHWBXSA-N 1 2 247.342 1.863 20 0 BDADLO CN(Cc1ccco1)c1cc(CO)cc[nH+]1 ZINC000040877853 410893846 /nfs/dbraw/zinc/89/38/46/410893846.db2.gz NCFGIXRFWHERCH-UHFFFAOYSA-N 1 2 218.256 1.803 20 0 BDADLO CC(C)CNc1[nH+]cccc1C(N)=S ZINC000019505004 167018962 /nfs/dbraw/zinc/01/89/62/167018962.db2.gz QTSNEXUFOKNDTQ-UHFFFAOYSA-N 1 2 209.318 1.784 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000299037772 167048016 /nfs/dbraw/zinc/04/80/16/167048016.db2.gz RHHVJLPGQRZJOY-NSHDSACASA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000299037772 167048013 /nfs/dbraw/zinc/04/80/13/167048013.db2.gz RHHVJLPGQRZJOY-NSHDSACASA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000370436435 167081031 /nfs/dbraw/zinc/08/10/31/167081031.db2.gz KYJDNCXBBBXKFU-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000370436435 167081035 /nfs/dbraw/zinc/08/10/35/167081035.db2.gz KYJDNCXBBBXKFU-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO COc1ccc(N[C@@H]2CCn3cc[nH+]c32)nc1 ZINC000651299850 410906588 /nfs/dbraw/zinc/90/65/88/410906588.db2.gz XDUSCUCJITVPSM-SNVBAGLBSA-N 1 2 230.271 1.844 20 0 BDADLO CC(C)OC[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000372117721 167271984 /nfs/dbraw/zinc/27/19/84/167271984.db2.gz VXFJEJXTBHQEFV-LLVKDONJSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000337375860 167373511 /nfs/dbraw/zinc/37/35/11/167373511.db2.gz VKIGYCUYZGQVLF-QJPTWQEYSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000337375860 167373515 /nfs/dbraw/zinc/37/35/15/167373515.db2.gz VKIGYCUYZGQVLF-QJPTWQEYSA-N 1 2 242.363 1.256 20 0 BDADLO C[N@H+](CC(=O)Nc1ccon1)Cc1ccco1 ZINC000041392499 410920679 /nfs/dbraw/zinc/92/06/79/410920679.db2.gz OLHAFCRXLUBUOG-UHFFFAOYSA-N 1 2 235.243 1.338 20 0 BDADLO C[N@@H+](CC(=O)Nc1ccon1)Cc1ccco1 ZINC000041392499 410920687 /nfs/dbraw/zinc/92/06/87/410920687.db2.gz OLHAFCRXLUBUOG-UHFFFAOYSA-N 1 2 235.243 1.338 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC000651323097 410920841 /nfs/dbraw/zinc/92/08/41/410920841.db2.gz POWOESIDYMFBHV-GHMZBOCLSA-N 1 2 235.331 1.997 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@@H]1C1CCCC1 ZINC000651364979 410955352 /nfs/dbraw/zinc/95/53/52/410955352.db2.gz QZRPATMXWVCXFO-NEPJUHHUSA-N 1 2 233.315 1.852 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@@H]1C1CCCC1 ZINC000651364979 410955360 /nfs/dbraw/zinc/95/53/60/410955360.db2.gz QZRPATMXWVCXFO-NEPJUHHUSA-N 1 2 233.315 1.852 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@H]1C1CCCC1 ZINC000651364981 410955974 /nfs/dbraw/zinc/95/59/74/410955974.db2.gz QZRPATMXWVCXFO-RYUDHWBXSA-N 1 2 233.315 1.852 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@H]1C1CCCC1 ZINC000651364981 410955976 /nfs/dbraw/zinc/95/59/76/410955976.db2.gz QZRPATMXWVCXFO-RYUDHWBXSA-N 1 2 233.315 1.852 20 0 BDADLO CCN1C[C@H](CNc2cccc[nH+]2)CC1=O ZINC000651421767 411007157 /nfs/dbraw/zinc/00/71/57/411007157.db2.gz WSFUNVAOUJWCSR-JTQLQIEISA-N 1 2 219.288 1.362 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)C(C)(C)O)n1cc[nH+]c1 ZINC000651423394 411009590 /nfs/dbraw/zinc/00/95/90/411009590.db2.gz NYQFWECMERPCCA-NXEZZACHSA-N 1 2 239.319 1.110 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@@H](C)CCO)[nH+]1 ZINC000651471231 411051695 /nfs/dbraw/zinc/05/16/95/411051695.db2.gz NDNCZNQBTPMFID-QMMMGPOBSA-N 1 2 234.303 1.473 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000651499446 411073335 /nfs/dbraw/zinc/07/33/35/411073335.db2.gz ZFFHWTDNUGOKAI-WCABBAIRSA-N 1 2 223.320 1.936 20 0 BDADLO C[C@H](c1csnn1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661622695 411076130 /nfs/dbraw/zinc/07/61/30/411076130.db2.gz VKCSVDOWCKROEF-IWSPIJDZSA-N 1 2 241.360 1.548 20 0 BDADLO CCn1cnnc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000652023253 411080573 /nfs/dbraw/zinc/08/05/73/411080573.db2.gz ZLMPSQSGOPDXQZ-VIFPVBQESA-N 1 2 248.290 1.084 20 0 BDADLO Cc1nc(N[C@@H](C)COCC2CC2)cc[nH+]1 ZINC000651457885 411039736 /nfs/dbraw/zinc/03/97/36/411039736.db2.gz NVOFHHQTLFEQNR-VIFPVBQESA-N 1 2 221.304 1.434 20 0 BDADLO CCc1cc(NC[C@@H](CC)C(=O)OC)nc[nH+]1 ZINC000591977623 411132145 /nfs/dbraw/zinc/13/21/45/411132145.db2.gz ZLCBFWLDISIEBX-SECBINFHSA-N 1 2 237.303 1.072 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCCCC2)CCO1 ZINC000045752064 411148690 /nfs/dbraw/zinc/14/86/90/411148690.db2.gz DVFHCBSKJXAILZ-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)CCO1 ZINC000045752064 411148691 /nfs/dbraw/zinc/14/86/91/411148691.db2.gz DVFHCBSKJXAILZ-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO Cc1nc(N(C)C)nc(NCC(C)(C)F)[nH+]1 ZINC000631407317 411150459 /nfs/dbraw/zinc/15/04/59/411150459.db2.gz ATXGAGWLZSBDEX-UHFFFAOYSA-N 1 2 227.287 1.406 20 0 BDADLO Cc1nc(NCC(C)(C)F)nc(N(C)C)[nH+]1 ZINC000631407317 411150460 /nfs/dbraw/zinc/15/04/60/411150460.db2.gz ATXGAGWLZSBDEX-UHFFFAOYSA-N 1 2 227.287 1.406 20 0 BDADLO CC[C@@]1(C)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660000000 411164776 /nfs/dbraw/zinc/16/47/76/411164776.db2.gz KDCXZDSWJVADPN-NSHDSACASA-N 1 2 208.309 1.469 20 0 BDADLO CC[C@@]1(C)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660000000 411164777 /nfs/dbraw/zinc/16/47/77/411164777.db2.gz KDCXZDSWJVADPN-NSHDSACASA-N 1 2 208.309 1.469 20 0 BDADLO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1c[nH]c[nH+]1 ZINC000652777213 411171971 /nfs/dbraw/zinc/17/19/71/411171971.db2.gz STZWPBVPESEQHF-BBBLOLIVSA-N 1 2 249.314 1.123 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@H](CO)C1 ZINC000656105265 411178970 /nfs/dbraw/zinc/17/89/70/411178970.db2.gz SVISMFADHMUTDY-SNVBAGLBSA-N 1 2 237.303 1.002 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cnn(C)c1 ZINC000656111837 411181247 /nfs/dbraw/zinc/18/12/47/411181247.db2.gz HUTQPGWKKXDQHB-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BDADLO COCCCN(C)c1nc[nH+]c(C)c1OC ZINC000656112799 411181428 /nfs/dbraw/zinc/18/14/28/411181428.db2.gz SPWKQQUQXHTDPP-UHFFFAOYSA-N 1 2 225.292 1.266 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)C[C@@H](C)O ZINC000656128428 411184113 /nfs/dbraw/zinc/18/41/13/411184113.db2.gz RAPMXZJUXNZTSX-WCBMZHEXSA-N 1 2 223.320 1.912 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)Cc1cccnc1 ZINC000660125341 411243913 /nfs/dbraw/zinc/24/39/13/411243913.db2.gz GUZAMLPQMVJTCN-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cnc(C[N@H+](C)Cc2cccnc2)c1 ZINC000660125341 411243914 /nfs/dbraw/zinc/24/39/14/411243914.db2.gz GUZAMLPQMVJTCN-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cnc(C[N@@H+](C)Cc2cccnc2)c1 ZINC000660125341 411243916 /nfs/dbraw/zinc/24/39/16/411243916.db2.gz GUZAMLPQMVJTCN-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC[C@H](C)CO ZINC000656150173 411186850 /nfs/dbraw/zinc/18/68/50/411186850.db2.gz JYKKNLSBJPTSQV-VIFPVBQESA-N 1 2 239.319 1.614 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCO[C@@H](C)C1 ZINC000656151849 411186963 /nfs/dbraw/zinc/18/69/63/411186963.db2.gz LDLJHLKKDLSRBR-WPRPVWTQSA-N 1 2 237.303 1.773 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1CCOC1 ZINC000656149906 411187158 /nfs/dbraw/zinc/18/71/58/411187158.db2.gz WLEVPUNJQQWUMM-SNVBAGLBSA-N 1 2 249.314 1.872 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccsc1 ZINC000656400714 411244677 /nfs/dbraw/zinc/24/46/77/411244677.db2.gz PAFRXDLWJNROFV-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccsc1 ZINC000656400714 411244679 /nfs/dbraw/zinc/24/46/79/411244679.db2.gz PAFRXDLWJNROFV-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC=C(C)C1 ZINC000656183028 411195984 /nfs/dbraw/zinc/19/59/84/411195984.db2.gz KDCRBGXOGFKPQJ-UHFFFAOYSA-N 1 2 219.288 1.950 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C(F)F)C1 ZINC000656184870 411195991 /nfs/dbraw/zinc/19/59/91/411195991.db2.gz VWMXBBZUWMTDRN-MRVPVSSYSA-N 1 2 243.257 1.885 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@H]2C[C@@H]21 ZINC000656187776 411196776 /nfs/dbraw/zinc/19/67/76/411196776.db2.gz DOHMJEVXGWODQT-ZJUUUORDSA-N 1 2 219.288 1.782 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC1(CO)CC1 ZINC000656197285 411202806 /nfs/dbraw/zinc/20/28/06/411202806.db2.gz XJDNEXXUWZFRPX-UHFFFAOYSA-N 1 2 237.303 1.368 20 0 BDADLO CCn1ccc(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000658033646 411208547 /nfs/dbraw/zinc/20/85/47/411208547.db2.gz HAPABTXSFIUPCS-LBPRGKRZSA-N 1 2 245.330 1.724 20 0 BDADLO Cc1noc(CN(C)Cc2[nH+]ccn2C(C)C)n1 ZINC000653889947 411209521 /nfs/dbraw/zinc/20/95/21/411209521.db2.gz PFZRRLWTVDVAFY-UHFFFAOYSA-N 1 2 249.318 1.787 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@@H](C)O1 ZINC000247492943 411209913 /nfs/dbraw/zinc/20/99/13/411209913.db2.gz HBRGBSMMBQVOEJ-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@@H](C)O1 ZINC000247492943 411209914 /nfs/dbraw/zinc/20/99/14/411209914.db2.gz HBRGBSMMBQVOEJ-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@H]2CC[C@H](C)O2)n1 ZINC000653888937 411210188 /nfs/dbraw/zinc/21/01/88/411210188.db2.gz LCFJSACBPWFKHH-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@H]2CC[C@H](C)O2)n1 ZINC000653888937 411210191 /nfs/dbraw/zinc/21/01/91/411210191.db2.gz LCFJSACBPWFKHH-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO COCC1(CNc2cc(C)[nH+]cn2)CC1 ZINC000656214089 411211314 /nfs/dbraw/zinc/21/13/14/411211314.db2.gz NKWYLSJHKCFTKQ-UHFFFAOYSA-N 1 2 207.277 1.624 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653898951 411214162 /nfs/dbraw/zinc/21/41/62/411214162.db2.gz UNLPHCLCXJFSCX-NSHDSACASA-N 1 2 237.347 1.809 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000653898951 411214165 /nfs/dbraw/zinc/21/41/65/411214165.db2.gz UNLPHCLCXJFSCX-NSHDSACASA-N 1 2 237.347 1.809 20 0 BDADLO Cc1ccc(Cn2ncc3c2C[C@H](O)CC3)c[nH+]1 ZINC000655672096 411219302 /nfs/dbraw/zinc/21/93/02/411219302.db2.gz BTKMMIOJUFSJCE-CYBMUJFWSA-N 1 2 243.310 1.484 20 0 BDADLO Cc1noc(C[N@@H+](C)Cc2ccn(C)c2)n1 ZINC000656279816 411226367 /nfs/dbraw/zinc/22/63/67/411226367.db2.gz YOTCEZKJFIXPTO-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1noc(C[N@H+](C)Cc2ccn(C)c2)n1 ZINC000656279816 411226370 /nfs/dbraw/zinc/22/63/70/411226370.db2.gz YOTCEZKJFIXPTO-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO CCO[C@@H](CC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652410680 411232099 /nfs/dbraw/zinc/23/20/99/411232099.db2.gz QSIGCPIYELMGIA-VIFPVBQESA-N 1 2 239.319 1.576 20 0 BDADLO CC(C)(NC(=O)c1ccc[nH]c1=O)c1[nH]cc[nH+]1 ZINC000652410288 411233023 /nfs/dbraw/zinc/23/30/23/411233023.db2.gz WHEWTGPRVCLFFA-UHFFFAOYSA-N 1 2 246.270 1.175 20 0 BDADLO Cc1c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)ccn1C ZINC000652412670 411233704 /nfs/dbraw/zinc/23/37/04/411233704.db2.gz NVBCPYLJCSQCDI-UHFFFAOYSA-N 1 2 246.314 1.722 20 0 BDADLO CC(C)(NC(=O)CCn1cccc1)c1[nH]cc[nH+]1 ZINC000652411673 411233932 /nfs/dbraw/zinc/23/39/32/411233932.db2.gz CQLLLBKMUKPDRE-UHFFFAOYSA-N 1 2 246.314 1.653 20 0 BDADLO Cn1cc[nH+]c1-c1cccc(OCCO)c1 ZINC000656371637 411237962 /nfs/dbraw/zinc/23/79/62/411237962.db2.gz LNRPUJDUSYNOIA-UHFFFAOYSA-N 1 2 218.256 1.458 20 0 BDADLO Cn1cc[nH+]c1-c1cccc(OCCCO)c1 ZINC000656371729 411238328 /nfs/dbraw/zinc/23/83/28/411238328.db2.gz QXFQBZBVEYTBIK-UHFFFAOYSA-N 1 2 232.283 1.848 20 0 BDADLO CO[C@@H](C[N@H+](CCO)CC(F)F)C1CCC1 ZINC000660451833 411165689 /nfs/dbraw/zinc/16/56/89/411165689.db2.gz IJTWGJDYNOEWCO-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO CO[C@@H](C[N@@H+](CCO)CC(F)F)C1CCC1 ZINC000660451833 411165693 /nfs/dbraw/zinc/16/56/93/411165693.db2.gz IJTWGJDYNOEWCO-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO CO[C@H](C[N@H+](CCO)CC(F)F)C1CCC1 ZINC000660451834 411166043 /nfs/dbraw/zinc/16/60/43/411166043.db2.gz IJTWGJDYNOEWCO-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO CO[C@H](C[N@@H+](CCO)CC(F)F)C1CCC1 ZINC000660451834 411166048 /nfs/dbraw/zinc/16/60/48/411166048.db2.gz IJTWGJDYNOEWCO-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(COC)[nH]1)[C@@H]1C[C@@H]1C ZINC000658155895 411270683 /nfs/dbraw/zinc/27/06/83/411270683.db2.gz DTNLUIAEHNNYMK-AEJSXWLSSA-N 1 2 238.335 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)CC2CC2)[nH]1 ZINC000658158147 411271291 /nfs/dbraw/zinc/27/12/91/411271291.db2.gz GGNWVLCLMPCCTO-MRVPVSSYSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)C2CCC2)[nH]1 ZINC000658159749 411273102 /nfs/dbraw/zinc/27/31/02/411273102.db2.gz ARNUCDJGOPDIMS-MRVPVSSYSA-N 1 2 224.308 1.229 20 0 BDADLO CCc1nc(C[NH+]2CCC(OC)CC2)no1 ZINC000054315607 411274958 /nfs/dbraw/zinc/27/49/58/411274958.db2.gz IDNPNULXELMRFU-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cnccc2C)nn1 ZINC000658177942 411283033 /nfs/dbraw/zinc/28/30/33/411283033.db2.gz XBRDUKYDPVKVMP-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccco1 ZINC000602755204 411298498 /nfs/dbraw/zinc/29/84/98/411298498.db2.gz AZOARBWDUBEYPX-UHFFFAOYSA-N 1 2 207.277 1.514 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccco1 ZINC000602755204 411298501 /nfs/dbraw/zinc/29/85/01/411298501.db2.gz AZOARBWDUBEYPX-UHFFFAOYSA-N 1 2 207.277 1.514 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC000654001514 411309555 /nfs/dbraw/zinc/30/95/55/411309555.db2.gz XTYOBQHBLDLSLC-OPRDCNLKSA-N 1 2 221.304 1.736 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000661767130 411309758 /nfs/dbraw/zinc/30/97/58/411309758.db2.gz JKOBESSRCVZWGF-LDYMZIIASA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nn(C)cc1Cl ZINC000661767130 411309760 /nfs/dbraw/zinc/30/97/60/411309760.db2.gz JKOBESSRCVZWGF-LDYMZIIASA-N 1 2 243.738 1.419 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)nc(C)n2)CCO1 ZINC000659838763 411318080 /nfs/dbraw/zinc/31/80/80/411318080.db2.gz RQJWUQJPPLEYHK-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)nc(C)n2)CCO1 ZINC000659838763 411318083 /nfs/dbraw/zinc/31/80/83/411318083.db2.gz RQJWUQJPPLEYHK-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO c1coc([C@H]2COCC[N@H+]2CCc2cn[nH]c2)c1 ZINC000656444894 411253916 /nfs/dbraw/zinc/25/39/16/411253916.db2.gz PQBDLCOQOJCNJU-GFCCVEGCSA-N 1 2 247.298 1.619 20 0 BDADLO c1coc([C@H]2COCC[N@@H+]2CCc2cn[nH]c2)c1 ZINC000656444894 411253920 /nfs/dbraw/zinc/25/39/20/411253920.db2.gz PQBDLCOQOJCNJU-GFCCVEGCSA-N 1 2 247.298 1.619 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](COC)OC ZINC000659869273 411355114 /nfs/dbraw/zinc/35/51/14/411355114.db2.gz UERZEZDYUYQGIZ-VIFPVBQESA-N 1 2 225.279 1.625 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](COC)OC ZINC000659869273 411355118 /nfs/dbraw/zinc/35/51/18/411355118.db2.gz UERZEZDYUYQGIZ-VIFPVBQESA-N 1 2 225.279 1.625 20 0 BDADLO CCc1nsc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000125258580 411356376 /nfs/dbraw/zinc/35/63/76/411356376.db2.gz ZNLLJGNJPKYUCL-ZCFIWIBFSA-N 1 2 223.305 1.997 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC3(COC3)C2)no1 ZINC000662072685 411357127 /nfs/dbraw/zinc/35/71/27/411357127.db2.gz NIYLQDCYWIISBX-MRVPVSSYSA-N 1 2 223.276 1.161 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC3(COC3)C2)no1 ZINC000662072685 411357129 /nfs/dbraw/zinc/35/71/29/411357129.db2.gz NIYLQDCYWIISBX-MRVPVSSYSA-N 1 2 223.276 1.161 20 0 BDADLO Cc1cnc([C@@H](C)N2CCn3c[nH+]cc3C2)o1 ZINC000660582055 411335564 /nfs/dbraw/zinc/33/55/64/411335564.db2.gz OACPKKYFSVUPCT-SNVBAGLBSA-N 1 2 232.287 1.756 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000659851129 411342715 /nfs/dbraw/zinc/34/27/15/411342715.db2.gz FPOHZWHRQSKLCW-LLVKDONJSA-N 1 2 222.288 1.332 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000659851129 411342717 /nfs/dbraw/zinc/34/27/17/411342717.db2.gz FPOHZWHRQSKLCW-LLVKDONJSA-N 1 2 222.288 1.332 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660593293 411344987 /nfs/dbraw/zinc/34/49/87/411344987.db2.gz HQRMBCLWKAMQRY-KOLCDFICSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660593293 411344989 /nfs/dbraw/zinc/34/49/89/411344989.db2.gz HQRMBCLWKAMQRY-KOLCDFICSA-N 1 2 236.319 1.740 20 0 BDADLO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csnn1 ZINC000359907708 168070706 /nfs/dbraw/zinc/07/07/06/168070706.db2.gz ZBJCFLYDXRVYHV-ZACCUICWSA-N 1 2 239.344 1.416 20 0 BDADLO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csnn1 ZINC000359907708 168070708 /nfs/dbraw/zinc/07/07/08/168070708.db2.gz ZBJCFLYDXRVYHV-ZACCUICWSA-N 1 2 239.344 1.416 20 0 BDADLO CC1(S(=O)(=O)N2CCc3c[nH+]ccc32)CC1 ZINC000329707891 168071632 /nfs/dbraw/zinc/07/16/32/168071632.db2.gz KUXQBZYAHKSDOT-UHFFFAOYSA-N 1 2 238.312 1.326 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C)C1 ZINC000654368058 411378182 /nfs/dbraw/zinc/37/81/82/411378182.db2.gz YGLFWWAXKAGCFY-WDEREUQCSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C)C1 ZINC000654368058 411378185 /nfs/dbraw/zinc/37/81/85/411378185.db2.gz YGLFWWAXKAGCFY-WDEREUQCSA-N 1 2 235.331 1.847 20 0 BDADLO CC1CC[NH+](Cc2nnn(C(C)(C)C)n2)CC1 ZINC000653488727 411379126 /nfs/dbraw/zinc/37/91/26/411379126.db2.gz JSLMRTUABQKEEJ-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000336454951 168097080 /nfs/dbraw/zinc/09/70/80/168097080.db2.gz FUOKGDIRLFXSNQ-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC=C(C)C2)n1C ZINC000280536094 168099185 /nfs/dbraw/zinc/09/91/85/168099185.db2.gz ALTQPFFNIXEDBP-UHFFFAOYSA-N 1 2 206.293 1.276 20 0 BDADLO Cc1nnc(C[N@H+]2CCC=C(C)C2)n1C ZINC000280536094 168099186 /nfs/dbraw/zinc/09/91/86/168099186.db2.gz ALTQPFFNIXEDBP-UHFFFAOYSA-N 1 2 206.293 1.276 20 0 BDADLO CC1CC(NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000291055794 168141612 /nfs/dbraw/zinc/14/16/12/168141612.db2.gz PHPBYBFLPDHMHY-UHFFFAOYSA-N 1 2 234.303 1.207 20 0 BDADLO CC1CC(NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000267876236 168142064 /nfs/dbraw/zinc/14/20/64/168142064.db2.gz RKBPGWZPIQGUTN-UHFFFAOYSA-N 1 2 248.330 1.591 20 0 BDADLO CC1CC([NH2+][C@H](c2nnc[nH]2)c2cccnc2)C1 ZINC000294689742 168146563 /nfs/dbraw/zinc/14/65/63/168146563.db2.gz INNGVKHRAFRFMS-NHNAUAITSA-N 1 2 243.314 1.677 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CCn2cccn2)[nH]1 ZINC000659919648 411382845 /nfs/dbraw/zinc/38/28/45/411382845.db2.gz RVWQFMBXSIKMAS-SNVBAGLBSA-N 1 2 248.334 1.257 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CCn2cccn2)[nH]1 ZINC000659919648 411382847 /nfs/dbraw/zinc/38/28/47/411382847.db2.gz RVWQFMBXSIKMAS-SNVBAGLBSA-N 1 2 248.334 1.257 20 0 BDADLO CCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000408241665 168238458 /nfs/dbraw/zinc/23/84/58/168238458.db2.gz ZDYVXFVKLVGDJT-LLVKDONJSA-N 1 2 248.330 1.280 20 0 BDADLO COC(=O)CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000556829608 322928371 /nfs/dbraw/zinc/92/83/71/322928371.db2.gz PUSXHMDBEMUHFN-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1CC2(CCC2)C1 ZINC000652972119 411386784 /nfs/dbraw/zinc/38/67/84/411386784.db2.gz QQTKFKYBLRHGKQ-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO CCC(C)(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363078473 168295569 /nfs/dbraw/zinc/29/55/69/168295569.db2.gz SVVCVPUNPTXPPA-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO CCC(C)(CC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000360225894 168308982 /nfs/dbraw/zinc/30/89/82/168308982.db2.gz STBAAFAANUKGGM-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCC(C)(CC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000360225894 168308984 /nfs/dbraw/zinc/30/89/84/168308984.db2.gz STBAAFAANUKGGM-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657309154 411457981 /nfs/dbraw/zinc/45/79/81/411457981.db2.gz KAQOAMGSGKKRND-UHFFFAOYSA-N 1 2 246.318 1.324 20 0 BDADLO CCc1cc(=NC(=O)C[C@@H](C)n2cc[nH+]c2)[nH][nH]1 ZINC000653017513 411396348 /nfs/dbraw/zinc/39/63/48/411396348.db2.gz GRJJQQSCROAYBO-SECBINFHSA-N 1 2 247.302 1.180 20 0 BDADLO CN(C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000657070437 411399960 /nfs/dbraw/zinc/39/99/60/411399960.db2.gz NXVTXTLKLMDVCQ-UHFFFAOYSA-N 1 2 248.330 1.453 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCC1=O ZINC000660323306 411412166 /nfs/dbraw/zinc/41/21/66/411412166.db2.gz RLMANHGIHGPVFF-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCC1=O ZINC000660323306 411412167 /nfs/dbraw/zinc/41/21/67/411412167.db2.gz RLMANHGIHGPVFF-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657209145 411418372 /nfs/dbraw/zinc/41/83/72/411418372.db2.gz VYYWGMFJGVPRQM-MNOVXSKESA-N 1 2 221.304 1.031 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657209145 411418375 /nfs/dbraw/zinc/41/83/75/411418375.db2.gz VYYWGMFJGVPRQM-MNOVXSKESA-N 1 2 221.304 1.031 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000270684531 411427856 /nfs/dbraw/zinc/42/78/56/411427856.db2.gz ZHFFACAWYFMUFD-VIFPVBQESA-N 1 2 224.304 1.755 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000270684531 411427859 /nfs/dbraw/zinc/42/78/59/411427859.db2.gz ZHFFACAWYFMUFD-VIFPVBQESA-N 1 2 224.304 1.755 20 0 BDADLO CCC[C@@](C)([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000272391850 411433544 /nfs/dbraw/zinc/43/35/44/411433544.db2.gz HHDDKCUJZNKEEI-CYBMUJFWSA-N 1 2 238.331 1.847 20 0 BDADLO Cc1cn2cc(NC(=O)C3(C)COC3)ccc2[nH+]1 ZINC000272749680 411435030 /nfs/dbraw/zinc/43/50/30/411435030.db2.gz LBEBQHSBUVPJDG-UHFFFAOYSA-N 1 2 245.282 1.618 20 0 BDADLO Cc1c[nH]c(CNCc2nccs2)[nH+]1 ZINC000657318760 411463784 /nfs/dbraw/zinc/46/37/84/411463784.db2.gz VTSASYCFGDRPQR-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO CC[C@H]1COCC[N@@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000637948211 411450580 /nfs/dbraw/zinc/45/05/80/411450580.db2.gz KKCPSUNGXGIARV-QWHCGFSZSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@H]1COCC[N@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000637948211 411450583 /nfs/dbraw/zinc/45/05/83/411450583.db2.gz KKCPSUNGXGIARV-QWHCGFSZSA-N 1 2 249.358 1.982 20 0 BDADLO CCc1nocc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000659831500 411468489 /nfs/dbraw/zinc/46/84/89/411468489.db2.gz RWGYOSOLPUXXLX-LLVKDONJSA-N 1 2 237.303 1.077 20 0 BDADLO CCc1nocc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000659831500 411468492 /nfs/dbraw/zinc/46/84/92/411468492.db2.gz RWGYOSOLPUXXLX-LLVKDONJSA-N 1 2 237.303 1.077 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CC[C@](C)(F)C2)C1 ZINC000654976028 411469418 /nfs/dbraw/zinc/46/94/18/411469418.db2.gz GRABIFOYIUHMJS-LBPRGKRZSA-N 1 2 228.311 1.289 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2nc(C)c[nH]2)c1C ZINC000657345300 411471176 /nfs/dbraw/zinc/47/11/76/411471176.db2.gz NLMNDDHMEWAJQM-UHFFFAOYSA-N 1 2 247.346 1.841 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCCC2 ZINC000655009596 411475419 /nfs/dbraw/zinc/47/54/19/411475419.db2.gz NESPUMJBASKBQU-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCCC2 ZINC000655009596 411475420 /nfs/dbraw/zinc/47/54/20/411475420.db2.gz NESPUMJBASKBQU-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1occc1C[N@@H+](C)Cc1cn(C)cn1 ZINC000659850735 411477445 /nfs/dbraw/zinc/47/74/45/411477445.db2.gz BUUAODOHGDUCAA-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1occc1C[N@H+](C)Cc1cn(C)cn1 ZINC000659850735 411477446 /nfs/dbraw/zinc/47/74/46/411477446.db2.gz BUUAODOHGDUCAA-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1occc1CN(C)Cc1cn(C)c[nH+]1 ZINC000659850735 411477449 /nfs/dbraw/zinc/47/74/49/411477449.db2.gz BUUAODOHGDUCAA-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000296383112 411480646 /nfs/dbraw/zinc/48/06/46/411480646.db2.gz VRJSSAJQEPNWBI-ONEGZZNKSA-N 1 2 205.261 1.482 20 0 BDADLO CCn1ncnc1C[N@H+](CC)C[C@H](C)OC ZINC000361568474 169937362 /nfs/dbraw/zinc/93/73/62/169937362.db2.gz ZSVQVCCIGNLKTC-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncnc1C[N@@H+](CC)C[C@H](C)OC ZINC000361568474 169937363 /nfs/dbraw/zinc/93/73/63/169937363.db2.gz ZSVQVCCIGNLKTC-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO COC[C@H](NCc1[nH]cc(C)[nH+]1)c1ccco1 ZINC000657382128 411488026 /nfs/dbraw/zinc/48/80/26/411488026.db2.gz GFZLVGVKMOWJLC-JTQLQIEISA-N 1 2 235.287 1.788 20 0 BDADLO C[C@H](CF)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655079753 411490573 /nfs/dbraw/zinc/49/05/73/411490573.db2.gz NJZQZSDGJYFQLZ-JGVFFNPUSA-N 1 2 213.256 1.063 20 0 BDADLO C[C@H](CF)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655079753 411490575 /nfs/dbraw/zinc/49/05/75/411490575.db2.gz NJZQZSDGJYFQLZ-JGVFFNPUSA-N 1 2 213.256 1.063 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ccc(F)cn2)n1 ZINC000657398950 411495006 /nfs/dbraw/zinc/49/50/06/411495006.db2.gz PEKUTWRJXJBUJU-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO COc1ncccc1NCc1[nH]cc(C)[nH+]1 ZINC000657414126 411498222 /nfs/dbraw/zinc/49/82/22/411498222.db2.gz ZBUOEZMYKZCFIY-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO Cc1c[nH]c(CNc2c(C)c(C)nn2CCO)[nH+]1 ZINC000657414161 411498708 /nfs/dbraw/zinc/49/87/08/411498708.db2.gz JCJADBHLVAAQKR-UHFFFAOYSA-N 1 2 249.318 1.136 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1C1CC1 ZINC000655123399 411499135 /nfs/dbraw/zinc/49/91/35/411499135.db2.gz FFALIESXNCYMCL-CABZTGNLSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1C1CC1 ZINC000655123399 411499139 /nfs/dbraw/zinc/49/91/39/411499139.db2.gz FFALIESXNCYMCL-CABZTGNLSA-N 1 2 233.315 1.599 20 0 BDADLO Cc1nc(C[N@H+](C)CCN2CCCC2=O)co1 ZINC000659925026 411501007 /nfs/dbraw/zinc/50/10/07/411501007.db2.gz DFGNLUDWKUNCIR-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1nc(C[N@@H+](C)CCN2CCCC2=O)co1 ZINC000659925026 411501009 /nfs/dbraw/zinc/50/10/09/411501009.db2.gz DFGNLUDWKUNCIR-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC[C@H]1CC ZINC000659932173 411502408 /nfs/dbraw/zinc/50/24/08/411502408.db2.gz AYMAWANKWPGGHW-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC[C@H]1CC ZINC000659932173 411502409 /nfs/dbraw/zinc/50/24/09/411502409.db2.gz AYMAWANKWPGGHW-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO CC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000659935732 411503274 /nfs/dbraw/zinc/50/32/74/411503274.db2.gz MAJWPKROSIAJIP-LLVKDONJSA-N 1 2 222.336 1.859 20 0 BDADLO CC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000659935732 411503275 /nfs/dbraw/zinc/50/32/75/411503275.db2.gz MAJWPKROSIAJIP-LLVKDONJSA-N 1 2 222.336 1.859 20 0 BDADLO c1coc([C@H]2COCC[N@H+]2CCc2cn[nH]n2)c1 ZINC000659934250 411503356 /nfs/dbraw/zinc/50/33/56/411503356.db2.gz ADXQWRKBZOIBPM-LLVKDONJSA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@H]2COCC[N@@H+]2CCc2cn[nH]n2)c1 ZINC000659934250 411503357 /nfs/dbraw/zinc/50/33/57/411503357.db2.gz ADXQWRKBZOIBPM-LLVKDONJSA-N 1 2 248.286 1.014 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@@H]2c2ccco2)c1 ZINC000659936979 411504579 /nfs/dbraw/zinc/50/45/79/411504579.db2.gz YIQZZYQMQVPURS-GFCCVEGCSA-N 1 2 247.298 1.587 20 0 BDADLO C[N@H+](Cc1ccon1)[C@@H]1COC(C)(C)C1 ZINC000659946569 411506639 /nfs/dbraw/zinc/50/66/39/411506639.db2.gz GXHVAPWIWKCLCO-JTQLQIEISA-N 1 2 210.277 1.674 20 0 BDADLO C[N@@H+](Cc1ccon1)[C@@H]1COC(C)(C)C1 ZINC000659946569 411506641 /nfs/dbraw/zinc/50/66/41/411506641.db2.gz GXHVAPWIWKCLCO-JTQLQIEISA-N 1 2 210.277 1.674 20 0 BDADLO Cc1c[nH]c(CNC(C)(C)C(F)F)[nH+]1 ZINC000657452968 411514646 /nfs/dbraw/zinc/51/46/46/411514646.db2.gz LVCYWDIMXGJEOP-UHFFFAOYSA-N 1 2 203.236 1.851 20 0 BDADLO CC(C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655795519 411516510 /nfs/dbraw/zinc/51/65/10/411516510.db2.gz CXRPWPLVCULYPJ-MRVPVSSYSA-N 1 2 210.281 1.154 20 0 BDADLO Cn1cc(Cl)c(C[NH2+]Cc2cn[nH]c2)n1 ZINC000657481091 411526887 /nfs/dbraw/zinc/52/68/87/411526887.db2.gz JCRIAHUGVKQRPE-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO C[C@H]1OCCN(Cc2cn(C)c[nH+]2)[C@H]1C ZINC000660009271 411527304 /nfs/dbraw/zinc/52/73/04/411527304.db2.gz PFGPJAXSVDDTQC-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cn(C)cn2)[C@H]1C ZINC000660009271 411527306 /nfs/dbraw/zinc/52/73/06/411527306.db2.gz PFGPJAXSVDDTQC-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cn(C)cn2)[C@H]1C ZINC000660009271 411527308 /nfs/dbraw/zinc/52/73/08/411527308.db2.gz PFGPJAXSVDDTQC-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCSC2)n1 ZINC000655816203 411527560 /nfs/dbraw/zinc/52/75/60/411527560.db2.gz RDVATOLGVVDGSP-MRVPVSSYSA-N 1 2 241.364 1.023 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)nc(C)n1 ZINC000660013344 411528584 /nfs/dbraw/zinc/52/85/84/411528584.db2.gz WMZCVDGGQBRDLJ-WDEREUQCSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)nc(C)n1 ZINC000660013344 411528585 /nfs/dbraw/zinc/52/85/85/411528585.db2.gz WMZCVDGGQBRDLJ-WDEREUQCSA-N 1 2 235.331 1.703 20 0 BDADLO COc1cccnc1C[NH2+]Cc1cn[nH]c1 ZINC000657485439 411530312 /nfs/dbraw/zinc/53/03/12/411530312.db2.gz ZOXSOZDHCJQJFP-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cn(C)cn2)o1 ZINC000659826932 411465594 /nfs/dbraw/zinc/46/55/94/411465594.db2.gz LUEHUIYKJXXPSZ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cn(C)cn2)o1 ZINC000659826932 411465597 /nfs/dbraw/zinc/46/55/97/411465597.db2.gz LUEHUIYKJXXPSZ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccc(CN(C)Cc2cn(C)c[nH+]2)o1 ZINC000659826932 411465599 /nfs/dbraw/zinc/46/55/99/411465599.db2.gz LUEHUIYKJXXPSZ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CCN1C[C@@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000107292842 170028054 /nfs/dbraw/zinc/02/80/54/170028054.db2.gz FAONEXDGUPWNIX-JTQLQIEISA-N 1 2 247.298 1.197 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCOC(C)C)[C@@H](C)C1 ZINC000336781699 170036002 /nfs/dbraw/zinc/03/60/02/170036002.db2.gz VIEVWPUISZTQEB-STQMWFEESA-N 1 2 228.380 1.731 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000660124899 411541354 /nfs/dbraw/zinc/54/13/54/411541354.db2.gz DPGJCNPFMURBJJ-LBPRGKRZSA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000660124899 411541356 /nfs/dbraw/zinc/54/13/56/411541356.db2.gz DPGJCNPFMURBJJ-LBPRGKRZSA-N 1 2 233.315 1.134 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(CC)cn1 ZINC000338891619 170057621 /nfs/dbraw/zinc/05/76/21/170057621.db2.gz FSSCMBWPZDSAIB-UHFFFAOYSA-N 1 2 249.358 1.602 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(CC)cn1 ZINC000338891619 170057623 /nfs/dbraw/zinc/05/76/23/170057623.db2.gz FSSCMBWPZDSAIB-UHFFFAOYSA-N 1 2 249.358 1.602 20 0 BDADLO CCNC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000272793823 170058493 /nfs/dbraw/zinc/05/84/93/170058493.db2.gz CWSIVWSXQNDDMN-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CCNC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000272793823 170058494 /nfs/dbraw/zinc/05/84/94/170058494.db2.gz CWSIVWSXQNDDMN-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000660135936 411542935 /nfs/dbraw/zinc/54/29/35/411542935.db2.gz FYRIIPHXOWVKFG-MRVPVSSYSA-N 1 2 246.318 1.210 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000660135936 411542937 /nfs/dbraw/zinc/54/29/37/411542937.db2.gz FYRIIPHXOWVKFG-MRVPVSSYSA-N 1 2 246.318 1.210 20 0 BDADLO CCNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000036780335 170064965 /nfs/dbraw/zinc/06/49/65/170064965.db2.gz YXSLNRQVKJTQEX-QMMMGPOBSA-N 1 2 242.269 1.752 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000289971639 170088878 /nfs/dbraw/zinc/08/88/78/170088878.db2.gz XJWPOTIXTJUTQY-RKDXNWHRSA-N 1 2 225.292 1.158 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1csnn1 ZINC000657496752 411536237 /nfs/dbraw/zinc/53/62/37/411536237.db2.gz QUYXTEQVLXCHGM-MRVPVSSYSA-N 1 2 249.343 1.532 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@@H](C)C1)c1[nH+]ccn1C ZINC000660098875 411537103 /nfs/dbraw/zinc/53/71/03/411537103.db2.gz CZPNUWYVRUNAKH-NXEZZACHSA-N 1 2 236.319 1.533 20 0 BDADLO FC1=CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660167360 411550865 /nfs/dbraw/zinc/55/08/65/411550865.db2.gz QIQHFMFUZOONAN-VIFPVBQESA-N 1 2 221.222 1.970 20 0 BDADLO FC1=CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660167360 411550868 /nfs/dbraw/zinc/55/08/68/411550868.db2.gz QIQHFMFUZOONAN-VIFPVBQESA-N 1 2 221.222 1.970 20 0 BDADLO COc1cc(C[NH2+][C@H](CO)c2ccccc2)on1 ZINC000660179120 411551775 /nfs/dbraw/zinc/55/17/75/411551775.db2.gz XMPIKCWJIXRJQL-GFCCVEGCSA-N 1 2 248.282 1.506 20 0 BDADLO CC(C)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660205919 411553434 /nfs/dbraw/zinc/55/34/34/411553434.db2.gz LMPJPHIYFBEUKT-SNVBAGLBSA-N 1 2 238.335 1.826 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn(C)cn2)C[C@@H]1F ZINC000660219378 411555505 /nfs/dbraw/zinc/55/55/05/411555505.db2.gz CGIUQJNRUAHKLF-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn(C)cn2)C[C@@H]1F ZINC000660219378 411555506 /nfs/dbraw/zinc/55/55/06/411555506.db2.gz CGIUQJNRUAHKLF-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CCN(Cc2cn(C)c[nH+]2)C[C@@H]1F ZINC000660219378 411555507 /nfs/dbraw/zinc/55/55/07/411555507.db2.gz CGIUQJNRUAHKLF-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO CC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000336745968 170159935 /nfs/dbraw/zinc/15/99/35/170159935.db2.gz AVRRDZYIIRASEK-MRVPVSSYSA-N 1 2 213.281 1.665 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCCOC(C)C ZINC000121544272 170186931 /nfs/dbraw/zinc/18/69/31/170186931.db2.gz LJKMSTJJGBXLFL-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO CCOC(=O)C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000158112891 170193089 /nfs/dbraw/zinc/19/30/89/170193089.db2.gz ADXLUIVYOKJTCQ-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000338568876 170200733 /nfs/dbraw/zinc/20/07/33/170200733.db2.gz AKYLCYBPSDUARP-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000338568876 170200734 /nfs/dbraw/zinc/20/07/34/170200734.db2.gz AKYLCYBPSDUARP-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)CC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000132534581 170210884 /nfs/dbraw/zinc/21/08/84/170210884.db2.gz BUDXXPPTYMHBBR-SECBINFHSA-N 1 2 237.303 1.929 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCc1nccs1 ZINC000159227341 170217250 /nfs/dbraw/zinc/21/72/50/170217250.db2.gz WCROGFXRQFTIRU-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCc1nccs1 ZINC000159227341 170217251 /nfs/dbraw/zinc/21/72/51/170217251.db2.gz WCROGFXRQFTIRU-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCOC(=O)C[N@H+](CCc1cccnc1)C1CC1 ZINC000063224098 170217550 /nfs/dbraw/zinc/21/75/50/170217550.db2.gz MUUWNYDNBUHJNL-UHFFFAOYSA-N 1 2 248.326 1.652 20 0 BDADLO CCOC(=O)C[N@@H+](CCc1cccnc1)C1CC1 ZINC000063224098 170217552 /nfs/dbraw/zinc/21/75/52/170217552.db2.gz MUUWNYDNBUHJNL-UHFFFAOYSA-N 1 2 248.326 1.652 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000341910870 170219802 /nfs/dbraw/zinc/21/98/02/170219802.db2.gz MKIPVZJBYYMEMX-GHMZBOCLSA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000341910870 170219803 /nfs/dbraw/zinc/21/98/03/170219803.db2.gz MKIPVZJBYYMEMX-GHMZBOCLSA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353009547 170221626 /nfs/dbraw/zinc/22/16/26/170221626.db2.gz QTQCDXJUHMGTFL-QMMMGPOBSA-N 1 2 237.246 1.111 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353009547 170221627 /nfs/dbraw/zinc/22/16/27/170221627.db2.gz QTQCDXJUHMGTFL-QMMMGPOBSA-N 1 2 237.246 1.111 20 0 BDADLO CCOC(=O)C[NH2+]C[C@H]1Oc2ccccc2[C@H]1C ZINC000365848498 170225163 /nfs/dbraw/zinc/22/51/63/170225163.db2.gz QGGTUOJUZNICJL-ZWNOBZJWSA-N 1 2 249.310 1.704 20 0 BDADLO CCOC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000341869199 170226064 /nfs/dbraw/zinc/22/60/64/170226064.db2.gz JJHBIDAINZOZHN-ZDUSSCGKSA-N 1 2 243.347 1.470 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000037472596 170226293 /nfs/dbraw/zinc/22/62/93/170226293.db2.gz UQBXMUJPGFDIAD-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO CO[C@H](C[N@@H+]1CCn2cc(C)nc2C1)C1CCC1 ZINC000660239658 411557339 /nfs/dbraw/zinc/55/73/39/411557339.db2.gz WDOBEEMCJBTDLI-CYBMUJFWSA-N 1 2 249.358 1.822 20 0 BDADLO CO[C@H](C[N@H+]1CCn2cc(C)nc2C1)C1CCC1 ZINC000660239658 411557341 /nfs/dbraw/zinc/55/73/41/411557341.db2.gz WDOBEEMCJBTDLI-CYBMUJFWSA-N 1 2 249.358 1.822 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000043638576 170247820 /nfs/dbraw/zinc/24/78/20/170247820.db2.gz LLFABLJKFCBGHH-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000043638576 170247821 /nfs/dbraw/zinc/24/78/21/170247821.db2.gz LLFABLJKFCBGHH-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362566011 170249515 /nfs/dbraw/zinc/24/95/15/170249515.db2.gz WEUBKMZANKFVHJ-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362566011 170249517 /nfs/dbraw/zinc/24/95/17/170249517.db2.gz WEUBKMZANKFVHJ-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660245140 411558908 /nfs/dbraw/zinc/55/89/08/411558908.db2.gz OEWOIIVEZRPHCD-BDAKNGLRSA-N 1 2 224.308 1.579 20 0 BDADLO CCC(CC)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660246201 411559104 /nfs/dbraw/zinc/55/91/04/411559104.db2.gz YRHYHIMWRIWJSH-SECBINFHSA-N 1 2 238.335 1.969 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CC[C@@H](C)C2)[nH]1 ZINC000657607065 411561061 /nfs/dbraw/zinc/56/10/61/411561061.db2.gz AFLXGTHYHUVQIW-RKDXNWHRSA-N 1 2 224.308 1.229 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOCC(C)C ZINC000337308427 170265741 /nfs/dbraw/zinc/26/57/41/170265741.db2.gz XVRVUQVOSWBUJU-NSHDSACASA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCC(C)C ZINC000337308427 170265743 /nfs/dbraw/zinc/26/57/43/170265743.db2.gz XVRVUQVOSWBUJU-NSHDSACASA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H](C)OC ZINC000341483372 170270492 /nfs/dbraw/zinc/27/04/92/170270492.db2.gz KEWQGDOKGHEPGK-UTUOFQBUSA-N 1 2 245.363 1.977 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)COC ZINC000309969128 170270558 /nfs/dbraw/zinc/27/05/58/170270558.db2.gz OQQROAZGPWNCGF-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC[C@H](C)C2)[nH]1 ZINC000657608035 411561707 /nfs/dbraw/zinc/56/17/07/411561707.db2.gz RAYOZIFAVAQFOX-UWVGGRQHSA-N 1 2 238.335 1.619 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000165364274 170280607 /nfs/dbraw/zinc/28/06/07/170280607.db2.gz CMRPWLPJQVOISZ-SNVBAGLBSA-N 1 2 240.328 1.671 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000165364274 170280609 /nfs/dbraw/zinc/28/06/09/170280609.db2.gz CMRPWLPJQVOISZ-SNVBAGLBSA-N 1 2 240.328 1.671 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2CC[C@H]2CC)n1 ZINC000331478940 170309777 /nfs/dbraw/zinc/30/97/77/170309777.db2.gz HRPWBKMHTQFFGV-MRVPVSSYSA-N 1 2 239.275 1.231 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2CC[C@H]2CC)n1 ZINC000331478940 170309778 /nfs/dbraw/zinc/30/97/78/170309778.db2.gz HRPWBKMHTQFFGV-MRVPVSSYSA-N 1 2 239.275 1.231 20 0 BDADLO CCOC1CC([N@H+](C)Cc2cn[nH]c2C)C1 ZINC000290417677 170328577 /nfs/dbraw/zinc/32/85/77/170328577.db2.gz KLXQDBZNDYKXQT-UHFFFAOYSA-N 1 2 223.320 1.717 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2cn[nH]c2C)C1 ZINC000290417677 170328579 /nfs/dbraw/zinc/32/85/79/170328579.db2.gz KLXQDBZNDYKXQT-UHFFFAOYSA-N 1 2 223.320 1.717 20 0 BDADLO CCOCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265793376 170360935 /nfs/dbraw/zinc/36/09/35/170360935.db2.gz VACCJGVIZAIKPP-NSHDSACASA-N 1 2 239.319 1.062 20 0 BDADLO CCOCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290868342 170364955 /nfs/dbraw/zinc/36/49/55/170364955.db2.gz CISSNMUMZZEYLP-UHFFFAOYSA-N 1 2 237.303 1.042 20 0 BDADLO CCOCCC[N@H+](C)Cc1noc(C)n1 ZINC000359536778 170371176 /nfs/dbraw/zinc/37/11/76/170371176.db2.gz KOXUQIFNEJURQZ-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCOCCC[N@@H+](C)Cc1noc(C)n1 ZINC000359536778 170371178 /nfs/dbraw/zinc/37/11/78/170371178.db2.gz KOXUQIFNEJURQZ-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cn(C)cn2)CCO1 ZINC000660380002 411576205 /nfs/dbraw/zinc/57/62/05/411576205.db2.gz JAFUKCKGSSJJKV-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cn(C)cn2)CCO1 ZINC000660380002 411576206 /nfs/dbraw/zinc/57/62/06/411576206.db2.gz JAFUKCKGSSJJKV-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660380002 411576207 /nfs/dbraw/zinc/57/62/07/411576207.db2.gz JAFUKCKGSSJJKV-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1c[nH+]c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000660532009 411596245 /nfs/dbraw/zinc/59/62/45/411596245.db2.gz ADHUVVMOSUBPNT-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO CC(C)OCC[N@@H+]1CCn2cncc2C1 ZINC000660576735 411602639 /nfs/dbraw/zinc/60/26/39/411602639.db2.gz FWKZRZXJYXQVQA-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CC(C)OCC[N@H+]1CCn2cncc2C1 ZINC000660576735 411602641 /nfs/dbraw/zinc/60/26/41/411602641.db2.gz FWKZRZXJYXQVQA-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CC(C)OCCN1CCn2c[nH+]cc2C1 ZINC000660576735 411602643 /nfs/dbraw/zinc/60/26/43/411602643.db2.gz FWKZRZXJYXQVQA-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO Cc1ncsc1CCN1CCn2c[nH+]cc2C1 ZINC000660578263 411602923 /nfs/dbraw/zinc/60/29/23/411602923.db2.gz NLPSGGQZLLMSME-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625216 411608800 /nfs/dbraw/zinc/60/88/00/411608800.db2.gz FZVGKZVDBLCXNX-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625216 411608801 /nfs/dbraw/zinc/60/88/01/411608801.db2.gz FZVGKZVDBLCXNX-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625216 411608802 /nfs/dbraw/zinc/60/88/02/411608802.db2.gz FZVGKZVDBLCXNX-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625216 411608804 /nfs/dbraw/zinc/60/88/04/411608804.db2.gz FZVGKZVDBLCXNX-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625216 411608805 /nfs/dbraw/zinc/60/88/05/411608805.db2.gz FZVGKZVDBLCXNX-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625216 411608807 /nfs/dbraw/zinc/60/88/07/411608807.db2.gz FZVGKZVDBLCXNX-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO C[NH+]1CC[C@]2(C1)CCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000660656862 411613844 /nfs/dbraw/zinc/61/38/44/411613844.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 1 2 248.374 1.301 20 0 BDADLO C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000660656862 411613846 /nfs/dbraw/zinc/61/38/46/411613846.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 1 2 248.374 1.301 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)cn2)C1=O ZINC000660683772 411617434 /nfs/dbraw/zinc/61/74/34/411617434.db2.gz KAEMLULLZVHOMR-ZDUSSCGKSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)cn2)C1=O ZINC000660683772 411617435 /nfs/dbraw/zinc/61/74/35/411617435.db2.gz KAEMLULLZVHOMR-ZDUSSCGKSA-N 1 2 247.342 1.443 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCCC2CCC2)C1 ZINC000660728521 411619556 /nfs/dbraw/zinc/61/95/56/411619556.db2.gz KPELHJIYZQSGBH-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)s1 ZINC000660833187 411647625 /nfs/dbraw/zinc/64/76/25/411647625.db2.gz QFHNLICBJFNLOB-APPZFPTMSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)s1 ZINC000660833187 411647628 /nfs/dbraw/zinc/64/76/28/411647628.db2.gz QFHNLICBJFNLOB-APPZFPTMSA-N 1 2 227.333 1.192 20 0 BDADLO CCc1ccccc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660846018 411656750 /nfs/dbraw/zinc/65/67/50/411656750.db2.gz WACFGOJVJKVRAJ-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CCc1ccccc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660846018 411656752 /nfs/dbraw/zinc/65/67/52/411656752.db2.gz WACFGOJVJKVRAJ-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CCOC(=O)CCc1cc(NC)nc(C)[nH+]1 ZINC000601099070 411669486 /nfs/dbraw/zinc/66/94/86/411669486.db2.gz RANJBELUVBDNMU-UHFFFAOYSA-N 1 2 223.276 1.322 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cn(C)cn1 ZINC000660911485 411669499 /nfs/dbraw/zinc/66/94/99/411669499.db2.gz CGASPYNYBZBHSL-LBPRGKRZSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cn(C)cn1 ZINC000660911485 411669502 /nfs/dbraw/zinc/66/95/02/411669502.db2.gz CGASPYNYBZBHSL-LBPRGKRZSA-N 1 2 237.347 1.810 20 0 BDADLO C[C@@H](NC(=O)NCCCF)c1[nH+]ccn1C ZINC000660927586 411677281 /nfs/dbraw/zinc/67/72/81/411677281.db2.gz BHWPLCBQOOFSLU-MRVPVSSYSA-N 1 2 228.271 1.140 20 0 BDADLO COc1c(N)[nH+]cnc1NCC(C)(C)F ZINC000631406467 411680540 /nfs/dbraw/zinc/68/05/40/411680540.db2.gz LCKSCUUOGYOUHL-UHFFFAOYSA-N 1 2 214.244 1.227 20 0 BDADLO COc1c(N)nc[nH+]c1NCC(C)(C)F ZINC000631406467 411680554 /nfs/dbraw/zinc/68/05/54/411680554.db2.gz LCKSCUUOGYOUHL-UHFFFAOYSA-N 1 2 214.244 1.227 20 0 BDADLO Cc1nn(C)cc1[C@@H]1OCC[C@H]1[NH2+]CC(F)F ZINC000660957635 411686654 /nfs/dbraw/zinc/68/66/54/411686654.db2.gz CEZBBCXANKDGBY-KOLCDFICSA-N 1 2 245.273 1.413 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH+]c[nH]2)oc1C ZINC000661086746 411699920 /nfs/dbraw/zinc/69/99/20/411699920.db2.gz GNLBLSUGZJPERR-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH]c[nH+]2)oc1C ZINC000661086746 411699925 /nfs/dbraw/zinc/69/99/25/411699925.db2.gz GNLBLSUGZJPERR-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO C[N@H+](CCn1cc(Cl)cn1)Cc1cnc[nH]1 ZINC000661090047 411703119 /nfs/dbraw/zinc/70/31/19/411703119.db2.gz BZTKDODVRRRCKO-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO C[N@@H+](CCn1cc(Cl)cn1)Cc1cnc[nH]1 ZINC000661090047 411703123 /nfs/dbraw/zinc/70/31/23/411703123.db2.gz BZTKDODVRRRCKO-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO C[N@H+](CCn1cc(Cl)cn1)Cc1c[nH]cn1 ZINC000661090047 411703126 /nfs/dbraw/zinc/70/31/26/411703126.db2.gz BZTKDODVRRRCKO-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO C[N@@H+](CCn1cc(Cl)cn1)Cc1c[nH]cn1 ZINC000661090047 411703128 /nfs/dbraw/zinc/70/31/28/411703128.db2.gz BZTKDODVRRRCKO-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO C[C@@H](CO)N(C)c1[nH+]ccc2c(N)cccc21 ZINC000663742978 411736232 /nfs/dbraw/zinc/73/62/32/411736232.db2.gz KORJRLQIQQMHLR-VIFPVBQESA-N 1 2 231.299 1.634 20 0 BDADLO O=C(C[N@H+]1CC[C@H]1c1ccc(F)cc1)NC1CC1 ZINC000661512225 411794265 /nfs/dbraw/zinc/79/42/65/411794265.db2.gz BOUPICKOSMXJFJ-ZDUSSCGKSA-N 1 2 248.301 1.851 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]1c1ccc(F)cc1)NC1CC1 ZINC000661512225 411794269 /nfs/dbraw/zinc/79/42/69/411794269.db2.gz BOUPICKOSMXJFJ-ZDUSSCGKSA-N 1 2 248.301 1.851 20 0 BDADLO O[C@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000661405815 411769645 /nfs/dbraw/zinc/76/96/45/411769645.db2.gz GVNZKIBSLAVQFZ-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000661405815 411769647 /nfs/dbraw/zinc/76/96/47/411769647.db2.gz GVNZKIBSLAVQFZ-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(c1nc(C3CC3)ns1)C2 ZINC000663919857 411775162 /nfs/dbraw/zinc/77/51/62/411775162.db2.gz SDDQQFALJXZBTA-UHFFFAOYSA-N 1 2 247.327 1.701 20 0 BDADLO CCS[C@H](C)c1noc(C[NH+](C)C)n1 ZINC000336672202 170651662 /nfs/dbraw/zinc/65/16/62/170651662.db2.gz LKJJNNSPGBVGHU-SSDOTTSWSA-N 1 2 215.322 1.945 20 0 BDADLO CCn1ccc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000618040592 411805440 /nfs/dbraw/zinc/80/54/40/411805440.db2.gz POUAMLJEEYLNPC-UHFFFAOYSA-N 1 2 233.275 1.128 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2=CCCOC2)co1 ZINC000661652305 411829294 /nfs/dbraw/zinc/82/92/94/411829294.db2.gz LASTYARZRVQJJY-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO Cc1nc(C[N@H+](C)CC2=CCCOC2)co1 ZINC000661652305 411829297 /nfs/dbraw/zinc/82/92/97/411829297.db2.gz LASTYARZRVQJJY-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)CC1=CCCOC1 ZINC000661656611 411829913 /nfs/dbraw/zinc/82/99/13/411829913.db2.gz ZOMIVHWCTNJZAD-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)CC1=CCCOC1 ZINC000661656611 411829915 /nfs/dbraw/zinc/82/99/15/411829915.db2.gz ZOMIVHWCTNJZAD-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)CC1=CCCOC1 ZINC000661656611 411829920 /nfs/dbraw/zinc/82/99/20/411829920.db2.gz ZOMIVHWCTNJZAD-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)CC1=CCCOC1 ZINC000661656611 411829922 /nfs/dbraw/zinc/82/99/22/411829922.db2.gz ZOMIVHWCTNJZAD-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO C[C@@H](Nc1[nH+]c(C2CC2)nc2[nH]ccc21)C(N)=O ZINC000631047596 411830278 /nfs/dbraw/zinc/83/02/78/411830278.db2.gz OANBYQXMSJFPLH-ZCFIWIBFSA-N 1 2 245.286 1.121 20 0 BDADLO CC[C@@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000047500611 170742599 /nfs/dbraw/zinc/74/25/99/170742599.db2.gz MCSKJEDJTNRJRC-SNVBAGLBSA-N 1 2 236.319 1.591 20 0 BDADLO C[C@]12COC[C@H]1C[N@H+](Cc1csnn1)C2 ZINC000661706240 411850489 /nfs/dbraw/zinc/85/04/89/411850489.db2.gz YRWLBRNBISIICR-SCZZXKLOSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@]12COC[C@H]1C[N@@H+](Cc1csnn1)C2 ZINC000661706240 411850494 /nfs/dbraw/zinc/85/04/94/411850494.db2.gz YRWLBRNBISIICR-SCZZXKLOSA-N 1 2 225.317 1.006 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cscn1)CC2 ZINC000661713993 411852977 /nfs/dbraw/zinc/85/29/77/411852977.db2.gz YGTMSBWDDUYATI-WCBMZHEXSA-N 1 2 210.302 1.100 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cscn1)CC2 ZINC000661713993 411852983 /nfs/dbraw/zinc/85/29/83/411852983.db2.gz YGTMSBWDDUYATI-WCBMZHEXSA-N 1 2 210.302 1.100 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1cn(C)nn1)C1CCC1 ZINC000661744510 411861775 /nfs/dbraw/zinc/86/17/75/411861775.db2.gz VDNSMLJQRFNCOP-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1cn(C)nn1)C1CCC1 ZINC000661744510 411861777 /nfs/dbraw/zinc/86/17/77/411861777.db2.gz VDNSMLJQRFNCOP-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1ccc(N(C)Cc2c[nH+]c[nH]2)nn1 ZINC000664126278 411863076 /nfs/dbraw/zinc/86/30/76/411863076.db2.gz FLMOZIZRLFBCAF-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1ccc(N(C)Cc2c[nH]c[nH+]2)nn1 ZINC000664126278 411863080 /nfs/dbraw/zinc/86/30/80/411863080.db2.gz FLMOZIZRLFBCAF-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1nc(N[C@H](C)C2(CO)CC2)cc[nH+]1 ZINC000664272373 411906968 /nfs/dbraw/zinc/90/69/68/411906968.db2.gz OOIHVHNITGACDR-MRVPVSSYSA-N 1 2 207.277 1.358 20 0 BDADLO O=C1CCCC12CC[NH+](Cc1ncccn1)CC2 ZINC000661957067 411920254 /nfs/dbraw/zinc/92/02/54/411920254.db2.gz DMENWKWDVRAAAG-UHFFFAOYSA-N 1 2 245.326 1.812 20 0 BDADLO C[C@@H]1CC[C@H](Nc2cccc[nH+]2)CS1(=O)=O ZINC000664357319 411929806 /nfs/dbraw/zinc/92/98/06/411929806.db2.gz UJWFPOKURMSTMZ-ZJUUUORDSA-N 1 2 240.328 1.459 20 0 BDADLO Cc1cc(N(C)CC2=CCCOC2)nc[nH+]1 ZINC000664366115 411931068 /nfs/dbraw/zinc/93/10/68/411931068.db2.gz WFCMKOSEYIBQQH-UHFFFAOYSA-N 1 2 219.288 1.568 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nccn1C ZINC000661977966 411931571 /nfs/dbraw/zinc/93/15/71/411931571.db2.gz CXRMGMCZGBQJLQ-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nccn1C ZINC000661977966 411931574 /nfs/dbraw/zinc/93/15/74/411931574.db2.gz CXRMGMCZGBQJLQ-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1COC2(CCCC2)CN1Cc1[nH+]ccn1C ZINC000661977966 411931580 /nfs/dbraw/zinc/93/15/80/411931580.db2.gz CXRMGMCZGBQJLQ-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO CO[C@@H](CNc1cc[nH+]c(C)n1)[C@H]1CCOC1 ZINC000664160473 411874742 /nfs/dbraw/zinc/87/47/42/411874742.db2.gz DKNPLXGFSIDERN-QWRGUYRKSA-N 1 2 237.303 1.248 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@]23C[C@H]2CCC3)[nH+]1 ZINC000664161434 411876533 /nfs/dbraw/zinc/87/65/33/411876533.db2.gz QMDSSGPTNDCSTD-BXKDBHETSA-N 1 2 233.319 1.601 20 0 BDADLO Cc1nc(N[C@]23C[C@H]2CCC3)nc(N(C)C)[nH+]1 ZINC000664161434 411876535 /nfs/dbraw/zinc/87/65/35/411876535.db2.gz QMDSSGPTNDCSTD-BXKDBHETSA-N 1 2 233.319 1.601 20 0 BDADLO CC[C@H](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000631356012 411882530 /nfs/dbraw/zinc/88/25/30/411882530.db2.gz VHCKMCIMKCUDFM-ZETCQYMHSA-N 1 2 209.297 1.032 20 0 BDADLO CC[C@H](C)CCNc1nc(N)nc(C)[nH+]1 ZINC000631356012 411882535 /nfs/dbraw/zinc/88/25/35/411882535.db2.gz VHCKMCIMKCUDFM-ZETCQYMHSA-N 1 2 209.297 1.032 20 0 BDADLO C[C@H]1C[C@H](Nc2cccc[nH+]2)c2ncnn21 ZINC000664181872 411882767 /nfs/dbraw/zinc/88/27/67/411882767.db2.gz HHBQKWLKYAXBKV-IUCAKERBSA-N 1 2 215.260 1.791 20 0 BDADLO c1cc(C2CC[NH+](Cc3c[nH]cn3)CC2)no1 ZINC000662047418 411965737 /nfs/dbraw/zinc/96/57/37/411965737.db2.gz DTARNDMHUZPABP-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO c1cc(C2CC[NH+](Cc3cnc[nH]3)CC2)no1 ZINC000662047418 411965742 /nfs/dbraw/zinc/96/57/42/411965742.db2.gz DTARNDMHUZPABP-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CCC2(COC2)C1 ZINC000662073388 411968477 /nfs/dbraw/zinc/96/84/77/411968477.db2.gz NBXJFIPKUVBNNQ-QMMMGPOBSA-N 1 2 225.317 1.321 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CCC2(COC2)C1 ZINC000662073388 411968478 /nfs/dbraw/zinc/96/84/78/411968478.db2.gz NBXJFIPKUVBNNQ-QMMMGPOBSA-N 1 2 225.317 1.321 20 0 BDADLO c1cnc2c(n1)CC[N@@H+](Cc1ccncc1)C2 ZINC000662125567 411993620 /nfs/dbraw/zinc/99/36/20/411993620.db2.gz WOTFBSHHECCCLR-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1cnc2c(n1)CC[N@H+](Cc1ccncc1)C2 ZINC000662125567 411993623 /nfs/dbraw/zinc/99/36/23/411993623.db2.gz WOTFBSHHECCCLR-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO Cc1nsc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000664609328 411997910 /nfs/dbraw/zinc/99/79/10/411997910.db2.gz YQOIMTQSCZXISP-LURJTMIESA-N 1 2 223.305 1.753 20 0 BDADLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)ncn1 ZINC000664609092 411998053 /nfs/dbraw/zinc/99/80/53/411998053.db2.gz VUPRSKJSKPBPAY-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO Cc1cc(N[C@H](C)c2nccn2C)nc[nH+]1 ZINC000664609092 411998057 /nfs/dbraw/zinc/99/80/57/411998057.db2.gz VUPRSKJSKPBPAY-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO COc1nc(C)cc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000664609029 411998898 /nfs/dbraw/zinc/99/88/98/411998898.db2.gz TYMPXQQXRWUNEM-VIFPVBQESA-N 1 2 247.302 1.700 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000664642959 412003173 /nfs/dbraw/zinc/00/31/73/412003173.db2.gz KGNDANITEHNOHA-MGCOHNPYSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@@]1(C(F)F)CN(c2cccc[nH+]2)CCO1 ZINC000664688366 412011077 /nfs/dbraw/zinc/01/10/77/412011077.db2.gz ONIFLEBSYZZEFU-NSHDSACASA-N 1 2 228.242 1.942 20 0 BDADLO Cc1nc(N2C[C@H]3COC[C@@]3(C)C2)c(C)c(C)[nH+]1 ZINC000664418902 411948900 /nfs/dbraw/zinc/94/89/00/411948900.db2.gz ROFBNIRYMADVKS-GXTWGEPZSA-N 1 2 247.342 1.875 20 0 BDADLO Cc1nc(N2C[C@@H]3COC[C@]3(C)C2)c(C)c(C)[nH+]1 ZINC000664418906 411948970 /nfs/dbraw/zinc/94/89/70/411948970.db2.gz ROFBNIRYMADVKS-OCCSQVGLSA-N 1 2 247.342 1.875 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357448599 170943854 /nfs/dbraw/zinc/94/38/54/170943854.db2.gz FAFNNDZHKSELAY-SECBINFHSA-N 1 2 233.271 1.698 20 0 BDADLO CC[C@@H](Nc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000664439410 411958246 /nfs/dbraw/zinc/95/82/46/411958246.db2.gz XERPXJJSZHQCEH-SECBINFHSA-N 1 2 234.303 1.881 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000664439410 411958252 /nfs/dbraw/zinc/95/82/52/411958252.db2.gz XERPXJJSZHQCEH-SECBINFHSA-N 1 2 234.303 1.881 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@H](C)O)nc[nH+]1 ZINC000664440886 411959119 /nfs/dbraw/zinc/95/91/19/411959119.db2.gz HPLXVGBJPIVNML-VHSXEESVSA-N 1 2 207.277 1.135 20 0 BDADLO Cc1nc(NCC(O)(C2CC2)C2CC2)cc[nH+]1 ZINC000664460102 411963264 /nfs/dbraw/zinc/96/32/64/411963264.db2.gz IRBKRUUTHLYZAR-UHFFFAOYSA-N 1 2 233.315 1.748 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664817865 412025416 /nfs/dbraw/zinc/02/54/16/412025416.db2.gz FKHSGCACMRKCBC-LBPRGKRZSA-N 1 2 233.315 1.211 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664817865 412025418 /nfs/dbraw/zinc/02/54/18/412025418.db2.gz FKHSGCACMRKCBC-LBPRGKRZSA-N 1 2 233.315 1.211 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830476 412028402 /nfs/dbraw/zinc/02/84/02/412028402.db2.gz VJHGCZDNKYBWDX-LBPRGKRZSA-N 1 2 233.315 1.211 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830476 412028404 /nfs/dbraw/zinc/02/84/04/412028404.db2.gz VJHGCZDNKYBWDX-LBPRGKRZSA-N 1 2 233.315 1.211 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830540 412028530 /nfs/dbraw/zinc/02/85/30/412028530.db2.gz WFVYOTVVBKMNPY-ZDUSSCGKSA-N 1 2 247.342 1.553 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830540 412028532 /nfs/dbraw/zinc/02/85/32/412028532.db2.gz WFVYOTVVBKMNPY-ZDUSSCGKSA-N 1 2 247.342 1.553 20 0 BDADLO CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838577 412030726 /nfs/dbraw/zinc/03/07/26/412030726.db2.gz UOGLIQVSXPUHAP-CYBMUJFWSA-N 1 2 247.342 1.601 20 0 BDADLO CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664838577 412030729 /nfs/dbraw/zinc/03/07/29/412030729.db2.gz UOGLIQVSXPUHAP-CYBMUJFWSA-N 1 2 247.342 1.601 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662222137 412030833 /nfs/dbraw/zinc/03/08/33/412030833.db2.gz GIZYYVLJOGASCO-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662222137 412030836 /nfs/dbraw/zinc/03/08/36/412030836.db2.gz GIZYYVLJOGASCO-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO c1ncc(C[N@@H+]2CCCc3n[nH]cc3C2)s1 ZINC000664860780 412033511 /nfs/dbraw/zinc/03/35/11/412033511.db2.gz JAWOSFXPZXGTHZ-UHFFFAOYSA-N 1 2 234.328 1.815 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nnc(C)s1)C1CC1 ZINC000662258003 412052381 /nfs/dbraw/zinc/05/23/81/412052381.db2.gz VXWFRFYDOUBSQT-SNVBAGLBSA-N 1 2 241.360 1.703 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nnc(C)s1)C1CC1 ZINC000662258003 412052385 /nfs/dbraw/zinc/05/23/85/412052385.db2.gz VXWFRFYDOUBSQT-SNVBAGLBSA-N 1 2 241.360 1.703 20 0 BDADLO COCC[C@H](C)[N@H+](C)Cc1nnc(C)s1 ZINC000662261532 412054034 /nfs/dbraw/zinc/05/40/34/412054034.db2.gz ZOHOIQARPXXPMJ-QMMMGPOBSA-N 1 2 229.349 1.703 20 0 BDADLO COCC[C@H](C)[N@@H+](C)Cc1nnc(C)s1 ZINC000662261532 412054039 /nfs/dbraw/zinc/05/40/39/412054039.db2.gz ZOHOIQARPXXPMJ-QMMMGPOBSA-N 1 2 229.349 1.703 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000119430822 171007506 /nfs/dbraw/zinc/00/75/06/171007506.db2.gz XFAYZHJWZLYFAM-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000233961026 171016871 /nfs/dbraw/zinc/01/68/71/171016871.db2.gz HPRBVYOHUPWLJV-SSDOTTSWSA-N 1 2 226.711 1.949 20 0 BDADLO CC[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000233961026 171016872 /nfs/dbraw/zinc/01/68/72/171016872.db2.gz HPRBVYOHUPWLJV-SSDOTTSWSA-N 1 2 226.711 1.949 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000357909165 171034303 /nfs/dbraw/zinc/03/43/03/171034303.db2.gz CLBSUVXPVOFKMA-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000357909165 171034308 /nfs/dbraw/zinc/03/43/08/171034308.db2.gz CLBSUVXPVOFKMA-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000357909154 171036345 /nfs/dbraw/zinc/03/63/45/171036345.db2.gz CLBSUVXPVOFKMA-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000357909154 171036347 /nfs/dbraw/zinc/03/63/47/171036347.db2.gz CLBSUVXPVOFKMA-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)C2CC2)C[C@@H](C)O1 ZINC000359594728 171093526 /nfs/dbraw/zinc/09/35/26/171093526.db2.gz KXMRMMKUVCLCMU-YUSALJHKSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C(=O)OC)C2CC2)C[C@@H](C)O1 ZINC000359594728 171093530 /nfs/dbraw/zinc/09/35/30/171093530.db2.gz KXMRMMKUVCLCMU-YUSALJHKSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC000281943344 171098391 /nfs/dbraw/zinc/09/83/91/171098391.db2.gz SKXQTDJKZYDLJT-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCOCC(F)(F)F ZINC000115575091 171105556 /nfs/dbraw/zinc/10/55/56/171105556.db2.gz DNHIQYBXXQRXAD-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCOCC(F)(F)F ZINC000115575091 171105558 /nfs/dbraw/zinc/10/55/58/171105558.db2.gz DNHIQYBXXQRXAD-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000336705283 171106388 /nfs/dbraw/zinc/10/63/88/171106388.db2.gz PZVJKKLZIQMXSG-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)n(C)n1 ZINC000336705283 171106391 /nfs/dbraw/zinc/10/63/91/171106391.db2.gz PZVJKKLZIQMXSG-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NC(C)(C)CC ZINC000115577606 171106573 /nfs/dbraw/zinc/10/65/73/171106573.db2.gz FXTJOWWTPUDBJS-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)NC(C)(C)CC ZINC000115577606 171106576 /nfs/dbraw/zinc/10/65/76/171106576.db2.gz FXTJOWWTPUDBJS-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000337963111 171108260 /nfs/dbraw/zinc/10/82/60/171108260.db2.gz ZXWUWAYDKBJNPR-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000337963111 171108262 /nfs/dbraw/zinc/10/82/62/171108262.db2.gz ZXWUWAYDKBJNPR-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ncc(C)o1 ZINC000266505758 171110068 /nfs/dbraw/zinc/11/00/68/171110068.db2.gz BSBMEUUALPOEBA-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ncc(C)o1 ZINC000266505758 171110071 /nfs/dbraw/zinc/11/00/71/171110071.db2.gz BSBMEUUALPOEBA-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280654620 171136716 /nfs/dbraw/zinc/13/67/16/171136716.db2.gz WSKWONSVNNUWRQ-HBNTYKKESA-N 1 2 236.319 1.369 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCc1[nH+]ccn1CC ZINC000297080664 171137447 /nfs/dbraw/zinc/13/74/47/171137447.db2.gz WZADZTIRHXBRQI-NXEZZACHSA-N 1 2 236.319 1.501 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000355786909 171158074 /nfs/dbraw/zinc/15/80/74/171158074.db2.gz SEIGEQPJEVIZLM-GXSJLCMTSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000355786909 171158079 /nfs/dbraw/zinc/15/80/79/171158079.db2.gz SEIGEQPJEVIZLM-GXSJLCMTSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@@]1(C)CN(Cc2[nH+]ccn2C)CCO1 ZINC000135591098 171204122 /nfs/dbraw/zinc/20/41/22/171204122.db2.gz UCBNKTODSWVTTA-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000378094873 171206727 /nfs/dbraw/zinc/20/67/27/171206727.db2.gz PBDDRAGXHYIQHF-YGRLFVJLSA-N 1 2 247.342 1.741 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccc(F)s2)CC1 ZINC000665059086 412073686 /nfs/dbraw/zinc/07/36/86/412073686.db2.gz NWEUWGCTFPVPLK-UHFFFAOYSA-N 1 2 228.292 1.275 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1occc1C ZINC000276121072 171241281 /nfs/dbraw/zinc/24/12/81/171241281.db2.gz BGBKWZUBNNWLPS-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1occc1C ZINC000276121072 171241283 /nfs/dbraw/zinc/24/12/83/171241283.db2.gz BGBKWZUBNNWLPS-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000363313561 171245273 /nfs/dbraw/zinc/24/52/73/171245273.db2.gz HGWLSJIMFYQIKY-VXGBXAGGSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccccc1F ZINC000363313561 171245275 /nfs/dbraw/zinc/24/52/75/171245275.db2.gz HGWLSJIMFYQIKY-VXGBXAGGSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178357805 171251700 /nfs/dbraw/zinc/25/17/00/171251700.db2.gz REGVQKMVUAHGAQ-JTQLQIEISA-N 1 2 231.299 1.997 20 0 BDADLO CC[C@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000276726205 171260861 /nfs/dbraw/zinc/26/08/61/171260861.db2.gz DQBPUEYXTAGYBS-QMMMGPOBSA-N 1 2 209.293 1.771 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000342330845 171271490 /nfs/dbraw/zinc/27/14/90/171271490.db2.gz BDIALVXBVSQNPV-RYUDHWBXSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](C)C[N@H+](CC)Cc1nnn(C)n1 ZINC000194449725 171278352 /nfs/dbraw/zinc/27/83/52/171278352.db2.gz CQFUKCOBNMJMRU-VIFPVBQESA-N 1 2 211.313 1.078 20 0 BDADLO CC[C@H](C)C[N@@H+](CC)Cc1nnn(C)n1 ZINC000194449725 171278353 /nfs/dbraw/zinc/27/83/53/171278353.db2.gz CQFUKCOBNMJMRU-VIFPVBQESA-N 1 2 211.313 1.078 20 0 BDADLO CC[C@H](C)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000373835069 171279163 /nfs/dbraw/zinc/27/91/63/171279163.db2.gz IYBQSVBHPPXXHO-VIFPVBQESA-N 1 2 238.335 1.736 20 0 BDADLO CC[C@H](C)C[NH2+][C@@H](CC(F)F)C(=O)OC ZINC000336744141 171287339 /nfs/dbraw/zinc/28/73/39/171287339.db2.gz YYWCEFFFLXKEKJ-YUMQZZPRSA-N 1 2 223.263 1.819 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](COC)C(=O)OC ZINC000355081771 171299424 /nfs/dbraw/zinc/29/94/24/171299424.db2.gz TYKLIMPRNFVQMZ-SRVKXCTJSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)C[S@](=O)Cc1[nH+]ccn1C ZINC000129335544 171300220 /nfs/dbraw/zinc/30/02/20/171300220.db2.gz FZLKANNJJBWIBK-LKFCYVNXSA-N 1 2 214.334 1.715 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cnoc1C ZINC000337237455 171312697 /nfs/dbraw/zinc/31/26/97/171312697.db2.gz MBCZPQSLHHGIKC-VIFPVBQESA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cnoc1C ZINC000337237455 171312698 /nfs/dbraw/zinc/31/26/98/171312698.db2.gz MBCZPQSLHHGIKC-VIFPVBQESA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290859976 171359366 /nfs/dbraw/zinc/35/93/66/171359366.db2.gz BLTVNLDUGRPMPL-WDEREUQCSA-N 1 2 235.331 1.908 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000272570500 171360198 /nfs/dbraw/zinc/36/01/98/171360198.db2.gz RXTPFFDHNITDJI-DTWKUNHWSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339089633 171361680 /nfs/dbraw/zinc/36/16/80/171361680.db2.gz ALSWYXSIZPVULN-WDEREUQCSA-N 1 2 237.347 1.904 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000041042056 171374297 /nfs/dbraw/zinc/37/42/97/171374297.db2.gz VRXWAKCPVAFNAN-GARJFASQSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]1C[C@@H](Nc2nccn(C)c2=O)c2[nH+]ccn21 ZINC000621324872 412148859 /nfs/dbraw/zinc/14/88/59/412148859.db2.gz CYLFDIULLXJELT-RKDXNWHRSA-N 1 2 245.286 1.095 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1nc2ccccc2o1 ZINC000624618518 412254154 /nfs/dbraw/zinc/25/41/54/412254154.db2.gz DRBDYKJEGIEADZ-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1nc2ccccc2o1 ZINC000624618518 412254157 /nfs/dbraw/zinc/25/41/57/412254157.db2.gz DRBDYKJEGIEADZ-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccnc(C2CC2)n1 ZINC000624619740 412255714 /nfs/dbraw/zinc/25/57/14/412255714.db2.gz KPJGCOODVQTCHC-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccnc(C2CC2)n1 ZINC000624619740 412255716 /nfs/dbraw/zinc/25/57/16/412255716.db2.gz KPJGCOODVQTCHC-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO CC[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000267956273 171628847 /nfs/dbraw/zinc/62/88/47/171628847.db2.gz OMBJHCZHJBSBGE-JTQLQIEISA-N 1 2 236.319 1.362 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cccnn1 ZINC000605470609 412307535 /nfs/dbraw/zinc/30/75/35/412307535.db2.gz NVRLLCPOPUJXSG-UHFFFAOYSA-N 1 2 231.259 1.092 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCCF ZINC000665475436 412333959 /nfs/dbraw/zinc/33/39/59/412333959.db2.gz WJOYKKVAWHYQJA-UHFFFAOYSA-N 1 2 213.256 1.128 20 0 BDADLO COC(=O)[C@@H](C)CNc1cc(C2CC2)[nH+]cn1 ZINC000603286772 412334229 /nfs/dbraw/zinc/33/42/29/412334229.db2.gz SPHZTHVELDQUGX-QMMMGPOBSA-N 1 2 235.287 1.575 20 0 BDADLO C[C@H](CCNc1ccc(C(=O)[O-])c[nH+]1)[NH+](C)C ZINC000662883681 412334716 /nfs/dbraw/zinc/33/47/16/412334716.db2.gz OSKJOFCMUMRBOE-SECBINFHSA-N 1 2 237.303 1.532 20 0 BDADLO CCCCc1cc(NC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000631299903 412347211 /nfs/dbraw/zinc/34/72/11/412347211.db2.gz SRCLFYUBKVLWCT-SNVBAGLBSA-N 1 2 248.330 1.367 20 0 BDADLO CCCCN1CC(=O)N[C@H]1c1c[nH+]c2n1CCC2 ZINC000663224888 412394178 /nfs/dbraw/zinc/39/41/78/412394178.db2.gz CRDVGHZQKZAXRK-CYBMUJFWSA-N 1 2 248.330 1.060 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NCC1=CCCC1 ZINC000663238073 412398229 /nfs/dbraw/zinc/39/82/29/412398229.db2.gz RKUUJBNIEGVIGZ-UHFFFAOYSA-N 1 2 248.330 1.683 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ncnn2CC)o1 ZINC000355589186 171808508 /nfs/dbraw/zinc/80/85/08/171808508.db2.gz XMFCHGSSQNGTOC-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(N)=O)cs1 ZINC000183071332 172002257 /nfs/dbraw/zinc/00/22/57/172002257.db2.gz YRUVZPJGTIKVRF-RQJHMYQMSA-N 1 2 227.333 1.230 20 0 BDADLO CCc1nc([C@@H](C)[NH2+]CC(=O)NC)cs1 ZINC000293029036 172003252 /nfs/dbraw/zinc/00/32/52/172003252.db2.gz CXYZWEFBHMOAGI-SSDOTTSWSA-N 1 2 227.333 1.102 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCO)no1 ZINC000370745769 172004832 /nfs/dbraw/zinc/00/48/32/172004832.db2.gz UTIIRFWPKRZCLE-JTQLQIEISA-N 1 2 239.319 1.541 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@H+]2CCCO)no1 ZINC000370745769 172004836 /nfs/dbraw/zinc/00/48/36/172004836.db2.gz UTIIRFWPKRZCLE-JTQLQIEISA-N 1 2 239.319 1.541 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1cocn1 ZINC000309526473 172041492 /nfs/dbraw/zinc/04/14/92/172041492.db2.gz BGVHWPLBQLIJHV-UHFFFAOYSA-N 1 2 220.276 1.260 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H](C)OC)o1 ZINC000336688402 172047978 /nfs/dbraw/zinc/04/79/78/172047978.db2.gz LPEWNOSLCTVTLV-QMMMGPOBSA-N 1 2 213.281 1.099 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H](C)OC)o1 ZINC000336688402 172047980 /nfs/dbraw/zinc/04/79/80/172047980.db2.gz LPEWNOSLCTVTLV-QMMMGPOBSA-N 1 2 213.281 1.099 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)o1 ZINC000336721298 172050792 /nfs/dbraw/zinc/05/07/92/172050792.db2.gz XOHHKDXFHVLRLW-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](O)C(C)(C)C2)o1 ZINC000336721298 172050793 /nfs/dbraw/zinc/05/07/93/172050793.db2.gz XOHHKDXFHVLRLW-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nnc(C[NH2+]Cc2c[nH]nc2C)s1 ZINC000336779575 172052067 /nfs/dbraw/zinc/05/20/67/172052067.db2.gz OTFLZTJYRCHKLI-UHFFFAOYSA-N 1 2 237.332 1.422 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccncc2)s1 ZINC000336782005 172052087 /nfs/dbraw/zinc/05/20/87/172052087.db2.gz WJXRFGHBPMOSFJ-UHFFFAOYSA-N 1 2 234.328 1.785 20 0 BDADLO CCc1noc(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000339083288 172082449 /nfs/dbraw/zinc/08/24/49/172082449.db2.gz JOFIBQLOZGARLN-UHFFFAOYSA-N 1 2 248.286 1.771 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CC2(CO)CC2)n1 ZINC000186790513 172088805 /nfs/dbraw/zinc/08/88/05/172088805.db2.gz BSHWRQTXMWYHGV-SECBINFHSA-N 1 2 239.319 1.397 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CC2(CO)CC2)n1 ZINC000186790513 172088806 /nfs/dbraw/zinc/08/88/06/172088806.db2.gz BSHWRQTXMWYHGV-SECBINFHSA-N 1 2 239.319 1.397 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000264341709 172089827 /nfs/dbraw/zinc/08/98/27/172089827.db2.gz CJMSIOIITLDTAM-VHSXEESVSA-N 1 2 249.318 1.568 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cnn(C)c1 ZINC000293537279 172094669 /nfs/dbraw/zinc/09/46/69/172094669.db2.gz XOITZHVTKASDIK-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000293537279 172094671 /nfs/dbraw/zinc/09/46/71/172094671.db2.gz XOITZHVTKASDIK-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO CCc1nocc1CNc1ccc(N(C)C)c[nH+]1 ZINC000339308095 172097147 /nfs/dbraw/zinc/09/71/47/172097147.db2.gz UAUOZSBDMHTBSI-UHFFFAOYSA-N 1 2 246.314 1.732 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000336316306 172165198 /nfs/dbraw/zinc/16/51/98/172165198.db2.gz KHSAKPZVXSGOGS-OLZOCXBDSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000336316306 172165200 /nfs/dbraw/zinc/16/52/00/172165200.db2.gz KHSAKPZVXSGOGS-OLZOCXBDSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000289816581 172165317 /nfs/dbraw/zinc/16/53/17/172165317.db2.gz NWGOXDLXJSVSAI-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000289816581 172165319 /nfs/dbraw/zinc/16/53/19/172165319.db2.gz NWGOXDLXJSVSAI-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2ccon2)cn1 ZINC000088052518 172197134 /nfs/dbraw/zinc/19/71/34/172197134.db2.gz NJTJIYUSHWMLOP-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cccc1C[N@H+](C)[C@@H](C)C(=O)OC ZINC000267379632 172203674 /nfs/dbraw/zinc/20/36/74/172203674.db2.gz APAPOOYOQYNUKM-JTQLQIEISA-N 1 2 224.304 1.501 20 0 BDADLO CCn1cccc1C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000267379632 172203676 /nfs/dbraw/zinc/20/36/76/172203676.db2.gz APAPOOYOQYNUKM-JTQLQIEISA-N 1 2 224.304 1.501 20 0 BDADLO CCn1cc[nH+]c1CNc1ccn(C)n1 ZINC000051923494 172225374 /nfs/dbraw/zinc/22/53/74/172225374.db2.gz HSQYQWZLLZVRFD-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000119274741 172267702 /nfs/dbraw/zinc/26/77/02/172267702.db2.gz IDWNJZMPSHCFRV-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC(C)(C)C1 ZINC000119274741 172267703 /nfs/dbraw/zinc/26/77/03/172267703.db2.gz IDWNJZMPSHCFRV-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000335558094 172328477 /nfs/dbraw/zinc/32/84/77/172328477.db2.gz LKVPPRMEDXFMBZ-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270149735 172363598 /nfs/dbraw/zinc/36/35/98/172363598.db2.gz GAXBKIOFGOORFT-UHFFFAOYSA-N 1 2 236.237 1.269 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270149735 172363600 /nfs/dbraw/zinc/36/36/00/172363600.db2.gz GAXBKIOFGOORFT-UHFFFAOYSA-N 1 2 236.237 1.269 20 0 BDADLO CN(Cc1ccsc1)C(=O)C1CC[NH2+]CC1 ZINC000035719318 172909123 /nfs/dbraw/zinc/90/91/23/172909123.db2.gz SNBXPEBWVBOVTF-UHFFFAOYSA-N 1 2 238.356 1.706 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC000098012628 173008029 /nfs/dbraw/zinc/00/80/29/173008029.db2.gz XNTIKDKRLJZMRT-JTQLQIEISA-N 1 2 235.287 1.210 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC000098012628 173008030 /nfs/dbraw/zinc/00/80/30/173008030.db2.gz XNTIKDKRLJZMRT-JTQLQIEISA-N 1 2 235.287 1.210 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1O ZINC000270346700 173051138 /nfs/dbraw/zinc/05/11/38/173051138.db2.gz DUZCBMWZWNHDTB-JTQLQIEISA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1O ZINC000270346700 173051141 /nfs/dbraw/zinc/05/11/41/173051141.db2.gz DUZCBMWZWNHDTB-JTQLQIEISA-N 1 2 238.262 1.564 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc([C@@H]3CC3(C)C)no2)C1 ZINC000333626747 173103502 /nfs/dbraw/zinc/10/35/02/173103502.db2.gz FXFUJXVCOATUFF-DTWKUNHWSA-N 1 2 237.303 1.586 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc([C@@H]3CC3(C)C)no2)C1 ZINC000333626747 173103505 /nfs/dbraw/zinc/10/35/05/173103505.db2.gz FXFUJXVCOATUFF-DTWKUNHWSA-N 1 2 237.303 1.586 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000363312874 173150568 /nfs/dbraw/zinc/15/05/68/173150568.db2.gz CBNJBQJPQBNAOQ-STQMWFEESA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@H]([N@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000363312874 173150569 /nfs/dbraw/zinc/15/05/69/173150569.db2.gz CBNJBQJPQBNAOQ-STQMWFEESA-N 1 2 248.301 1.803 20 0 BDADLO C[N@@H+]1CCc2ncnc(N[C@H]3CCCOC3)c2C1 ZINC000264509567 173173514 /nfs/dbraw/zinc/17/35/14/173173514.db2.gz SVRPWBZUAFAUCV-JTQLQIEISA-N 1 2 248.330 1.055 20 0 BDADLO C[N@H+]1CCc2ncnc(N[C@H]3CCCOC3)c2C1 ZINC000264509567 173173516 /nfs/dbraw/zinc/17/35/16/173173516.db2.gz SVRPWBZUAFAUCV-JTQLQIEISA-N 1 2 248.330 1.055 20 0 BDADLO CN1C[C@@H](Nc2ccc3ccccc3[nH+]2)CC1=O ZINC000278660485 173188247 /nfs/dbraw/zinc/18/82/47/173188247.db2.gz FDLHVPNSQVTTRA-NSHDSACASA-N 1 2 241.294 1.877 20 0 BDADLO CNC(=O)C1C[NH+](Cc2sccc2Cl)C1 ZINC000285264768 173227105 /nfs/dbraw/zinc/22/71/05/173227105.db2.gz ZTUUAHWDWZHAQB-UHFFFAOYSA-N 1 2 244.747 1.579 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180514436 173269875 /nfs/dbraw/zinc/26/98/75/173269875.db2.gz IRUJKVLCCLPFHK-UHFFFAOYSA-N 1 2 246.232 1.282 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180514436 173269877 /nfs/dbraw/zinc/26/98/77/173269877.db2.gz IRUJKVLCCLPFHK-UHFFFAOYSA-N 1 2 246.232 1.282 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000067228466 173275640 /nfs/dbraw/zinc/27/56/40/173275640.db2.gz ZNKPFPXMGHMHIN-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000067228466 173275641 /nfs/dbraw/zinc/27/56/41/173275641.db2.gz ZNKPFPXMGHMHIN-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000293328733 173277538 /nfs/dbraw/zinc/27/75/38/173277538.db2.gz WPFVAGAUOXTTPY-ZETCQYMHSA-N 1 2 244.697 1.876 20 0 BDADLO CNC(=O)CSCc1cn2cccc(C)c2[nH+]1 ZINC000267732391 173279848 /nfs/dbraw/zinc/27/98/48/173279848.db2.gz DDKKIOBEXWKKEY-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000279571163 173283967 /nfs/dbraw/zinc/28/39/67/173283967.db2.gz FZWXPBAXHRFYGZ-UHFFFAOYSA-N 1 2 239.225 1.369 20 0 BDADLO CNC(=O)[C@]1(C)CCN(c2cccc[nH+]2)C1 ZINC000282096983 173308915 /nfs/dbraw/zinc/30/89/15/173308915.db2.gz XOVVGJXVJDPPPI-GFCCVEGCSA-N 1 2 219.288 1.044 20 0 BDADLO C[NH2+]Cc1noc([C@H]2COc3ccccc3O2)n1 ZINC000051848519 173399701 /nfs/dbraw/zinc/39/97/01/173399701.db2.gz JORSHMDVNIXMKL-SNVBAGLBSA-N 1 2 247.254 1.302 20 0 BDADLO COC(=O)C1(NC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000183962407 173513093 /nfs/dbraw/zinc/51/30/93/173513093.db2.gz AVGVMOGVXCSHDT-UHFFFAOYSA-N 1 2 249.270 1.217 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccccc1N(C)C ZINC000173500546 173577987 /nfs/dbraw/zinc/57/79/87/173577987.db2.gz FFBYOZTZKGQSPT-UHFFFAOYSA-N 1 2 236.315 1.357 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000173500546 173577989 /nfs/dbraw/zinc/57/79/89/173577989.db2.gz FFBYOZTZKGQSPT-UHFFFAOYSA-N 1 2 236.315 1.357 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC1CCC1)C1CC1 ZINC000336774918 173711894 /nfs/dbraw/zinc/71/18/94/173711894.db2.gz XLKMOHVAJJOZTB-NSHDSACASA-N 1 2 227.304 1.097 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662227796 487627808 /nfs/dbraw/zinc/62/78/08/487627808.db2.gz QWODIKWZKFTRSM-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](O)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662227796 487627814 /nfs/dbraw/zinc/62/78/14/487627814.db2.gz QWODIKWZKFTRSM-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO COC1(CNc2c[nH+]cc(C)c2)CCOCC1 ZINC000277002846 174006610 /nfs/dbraw/zinc/00/66/10/174006610.db2.gz KCTOCSZYIFFKAN-UHFFFAOYSA-N 1 2 236.315 1.998 20 0 BDADLO COCC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000057997925 174048278 /nfs/dbraw/zinc/04/82/78/174048278.db2.gz WSKBTWZICUSBAE-UHFFFAOYSA-N 1 2 247.298 1.107 20 0 BDADLO COCC(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000270051618 174066597 /nfs/dbraw/zinc/06/65/97/174066597.db2.gz RLEBOLNWYDPMHZ-JTQLQIEISA-N 1 2 239.319 1.060 20 0 BDADLO COCC1(CNc2cc(C)[nH+]cn2)CCC1 ZINC000336688023 174099924 /nfs/dbraw/zinc/09/99/24/174099924.db2.gz VNPLKIUPEFRLHB-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO COCC1(CNC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000282006670 174101658 /nfs/dbraw/zinc/10/16/58/174101658.db2.gz IFTFKTGTADWVQG-UHFFFAOYSA-N 1 2 237.303 1.265 20 0 BDADLO COCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119187849 174135832 /nfs/dbraw/zinc/13/58/32/174135832.db2.gz RZLQGYLGNURTKA-UHFFFAOYSA-N 1 2 208.261 1.673 20 0 BDADLO COCCCOCC(=O)Nc1cc[nH+]c(C)c1 ZINC000180693949 174253768 /nfs/dbraw/zinc/25/37/68/174253768.db2.gz PCJNVUKRKRBFJR-UHFFFAOYSA-N 1 2 238.287 1.382 20 0 BDADLO COCC[N@H+](C)Cc1nc(C)cs1 ZINC000118403545 174280127 /nfs/dbraw/zinc/28/01/27/174280127.db2.gz BITJCIRKLOPELU-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C)cs1 ZINC000118403545 174280131 /nfs/dbraw/zinc/28/01/31/174280131.db2.gz BITJCIRKLOPELU-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO COCC[N@H+](C)Cc1nc(C)sc1C ZINC000336672892 174281460 /nfs/dbraw/zinc/28/14/60/174281460.db2.gz NACFLTPMYVYGAT-UHFFFAOYSA-N 1 2 214.334 1.838 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C)sc1C ZINC000336672892 174281461 /nfs/dbraw/zinc/28/14/61/174281461.db2.gz NACFLTPMYVYGAT-UHFFFAOYSA-N 1 2 214.334 1.838 20 0 BDADLO COCC[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000281940626 174281706 /nfs/dbraw/zinc/28/17/06/174281706.db2.gz IUYMPKWDMLUEIH-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO COCC[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000281940626 174281708 /nfs/dbraw/zinc/28/17/08/174281708.db2.gz IUYMPKWDMLUEIH-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO COCCN(C)c1[nH+]c2ccccc2n1C ZINC000270605414 174283581 /nfs/dbraw/zinc/28/35/81/174283581.db2.gz WSWLDMIQXKARIZ-UHFFFAOYSA-N 1 2 219.288 1.656 20 0 BDADLO COCC[N@H+](Cc1ccno1)Cc1cccnc1 ZINC000277151337 174300945 /nfs/dbraw/zinc/30/09/45/174300945.db2.gz VVSBPRFMSKYALV-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO COCC[N@@H+](Cc1ccno1)Cc1cccnc1 ZINC000277151337 174300947 /nfs/dbraw/zinc/30/09/47/174300947.db2.gz VVSBPRFMSKYALV-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO COCC[N@H+](Cc1ccsc1)[C@@H](C)C(N)=O ZINC000093139533 174301339 /nfs/dbraw/zinc/30/13/39/174301339.db2.gz ZTDMAQCBDGQCBV-VIFPVBQESA-N 1 2 242.344 1.070 20 0 BDADLO COCC[N@@H+](Cc1ccsc1)[C@@H](C)C(N)=O ZINC000093139533 174301341 /nfs/dbraw/zinc/30/13/41/174301341.db2.gz ZTDMAQCBDGQCBV-VIFPVBQESA-N 1 2 242.344 1.070 20 0 BDADLO COCC[N@H+](Cc1ncc(C)cn1)C1CC1 ZINC000336700711 174301531 /nfs/dbraw/zinc/30/15/31/174301531.db2.gz KYTSTWCWYMKNMC-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO COCC[N@@H+](Cc1ncc(C)cn1)C1CC1 ZINC000336700711 174301533 /nfs/dbraw/zinc/30/15/33/174301533.db2.gz KYTSTWCWYMKNMC-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO COCC[N@H+](Cc1nnc(C)s1)C1CC1 ZINC000358622408 174302127 /nfs/dbraw/zinc/30/21/27/174302127.db2.gz DCECRRMPHDDJFV-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COCC[N@@H+](Cc1nnc(C)s1)C1CC1 ZINC000358622408 174302128 /nfs/dbraw/zinc/30/21/28/174302128.db2.gz DCECRRMPHDDJFV-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000375189257 174312520 /nfs/dbraw/zinc/31/25/20/174312520.db2.gz XSGHDVXBZPEDMF-ZDUSSCGKSA-N 1 2 248.326 1.114 20 0 BDADLO COCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000375189257 174312521 /nfs/dbraw/zinc/31/25/21/174312521.db2.gz XSGHDVXBZPEDMF-ZDUSSCGKSA-N 1 2 248.326 1.114 20 0 BDADLO COCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340177834 174339803 /nfs/dbraw/zinc/33/98/03/174339803.db2.gz JPWJARVOROHLEB-VIFPVBQESA-N 1 2 238.316 1.192 20 0 BDADLO COCCOCC(=O)Nc1c(C)cc[nH+]c1C ZINC000336717532 174347067 /nfs/dbraw/zinc/34/70/67/174347067.db2.gz UOJNUJMZNOWQOV-UHFFFAOYSA-N 1 2 238.287 1.300 20 0 BDADLO COCC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccco1 ZINC000355719416 174393772 /nfs/dbraw/zinc/39/37/72/174393772.db2.gz BPUMKBHUXIDVMP-SNVBAGLBSA-N 1 2 235.287 1.870 20 0 BDADLO COCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000272645579 174394258 /nfs/dbraw/zinc/39/42/58/174394258.db2.gz ZVLVBAYYAJDCHF-LLVKDONJSA-N 1 2 235.287 1.870 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OC ZINC000309403809 174583920 /nfs/dbraw/zinc/58/39/20/174583920.db2.gz ANIBOLZKZOQVJC-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO COc1cc(C[NH2+][C@@H]2CCn3ccnc32)ccn1 ZINC000294133869 174984937 /nfs/dbraw/zinc/98/49/37/174984937.db2.gz OSGRFPXCXMKNNI-LLVKDONJSA-N 1 2 244.298 1.521 20 0 BDADLO COc1ccc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)cc1 ZINC000035660439 175043335 /nfs/dbraw/zinc/04/33/35/175043335.db2.gz WPFBHXIIOBYUHX-XCBNKYQSSA-N 1 2 249.270 1.126 20 0 BDADLO COc1ccc(C)cc1C[NH2+]Cc1nncn1C ZINC000037989082 175076273 /nfs/dbraw/zinc/07/62/73/175076273.db2.gz VIBQWNWOWNSCOC-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)nn1 ZINC000283180555 175100767 /nfs/dbraw/zinc/10/07/67/175100767.db2.gz QBVJQCFCHNXCLQ-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)nn1 ZINC000283180555 175100770 /nfs/dbraw/zinc/10/07/70/175100770.db2.gz QBVJQCFCHNXCLQ-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000132238606 175101318 /nfs/dbraw/zinc/10/13/18/175101318.db2.gz HIYMIHJADYTMNV-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000132238606 175101319 /nfs/dbraw/zinc/10/13/19/175101319.db2.gz HIYMIHJADYTMNV-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)nc1 ZINC000272134127 175101671 /nfs/dbraw/zinc/10/16/71/175101671.db2.gz SUNAMFOPDMIVON-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)nc1 ZINC000272134127 175101673 /nfs/dbraw/zinc/10/16/73/175101673.db2.gz SUNAMFOPDMIVON-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc[nH]n2)cc1O ZINC000041013865 175108272 /nfs/dbraw/zinc/10/82/72/175108272.db2.gz IQRSOZFUANTYHA-UHFFFAOYSA-N 1 2 233.271 1.414 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC000278652202 175142917 /nfs/dbraw/zinc/14/29/17/175142917.db2.gz OUOBWTKPAOKRRL-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO COc1ccc(NCc2[nH+]ccn2C)cn1 ZINC000036896215 175153140 /nfs/dbraw/zinc/15/31/40/175153140.db2.gz BGTUGCXWTSJULO-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO COc1cccc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000290197239 175265343 /nfs/dbraw/zinc/26/53/43/175265343.db2.gz UKEBYYIZQYWUKA-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1cccc(Cl)c1C[N@H+](C)CCO ZINC000127911987 175273234 /nfs/dbraw/zinc/27/32/34/175273234.db2.gz USLQBTHWFXCGSY-UHFFFAOYSA-N 1 2 229.707 1.773 20 0 BDADLO COc1cccc(Cl)c1C[N@@H+](C)CCO ZINC000127911987 175273236 /nfs/dbraw/zinc/27/32/36/175273236.db2.gz USLQBTHWFXCGSY-UHFFFAOYSA-N 1 2 229.707 1.773 20 0 BDADLO COc1cccc(Cc2noc(C[NH+](C)C)n2)c1 ZINC000277801434 175273849 /nfs/dbraw/zinc/27/38/49/175273849.db2.gz GKLLSKZMVIBYDD-UHFFFAOYSA-N 1 2 247.298 1.731 20 0 BDADLO COc1ccccc1C[N@@H+]1CCn2cnnc2C1 ZINC000121881666 175327020 /nfs/dbraw/zinc/32/70/20/175327020.db2.gz LYVGDYZJNMXNGS-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccccc1C[N@H+]1CCn2cnnc2C1 ZINC000121881666 175327022 /nfs/dbraw/zinc/32/70/22/175327022.db2.gz LYVGDYZJNMXNGS-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccccc1C[NH2+]Cc1cc[nH]n1 ZINC000036899974 175329692 /nfs/dbraw/zinc/32/96/92/175329692.db2.gz RPIYWLJWSKQOQM-UHFFFAOYSA-N 1 2 217.272 1.708 20 0 BDADLO COc1ccnc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000106859518 175359114 /nfs/dbraw/zinc/35/91/14/175359114.db2.gz TWCKMCMYUUKRIJ-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccnc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000106859518 175359116 /nfs/dbraw/zinc/35/91/16/175359116.db2.gz TWCKMCMYUUKRIJ-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2cnn(C)c2)c1 ZINC000106859518 175359118 /nfs/dbraw/zinc/35/91/18/175359118.db2.gz TWCKMCMYUUKRIJ-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC1(C)C ZINC000293046986 175369490 /nfs/dbraw/zinc/36/94/90/175369490.db2.gz RTUIUOABFSIJMA-LLVKDONJSA-N 1 2 249.314 1.688 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1(C)CCC1 ZINC000294621247 175370066 /nfs/dbraw/zinc/37/00/66/175370066.db2.gz ORERKVFZLRYQJV-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCC(C)C ZINC000292402696 175370603 /nfs/dbraw/zinc/37/06/03/175370603.db2.gz XMCNTIMGFBCBRB-UHFFFAOYSA-N 1 2 237.303 1.545 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCC1CC1 ZINC000292277151 175370845 /nfs/dbraw/zinc/37/08/45/175370845.db2.gz HOOHNSJQDJPOJZ-UHFFFAOYSA-N 1 2 235.287 1.299 20 0 BDADLO COc1ccncc1C[NH2+]Cc1c(C)noc1C ZINC000336791291 175371655 /nfs/dbraw/zinc/37/16/55/175371655.db2.gz NATTVGINJUOWEF-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COc1cc[nH+]cc1COc1cc(C)n(C)n1 ZINC000341338286 175373224 /nfs/dbraw/zinc/37/32/24/175373224.db2.gz LDTMCRFWKFZCTH-UHFFFAOYSA-N 1 2 233.271 1.711 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000376354893 175374300 /nfs/dbraw/zinc/37/43/00/175374300.db2.gz CPRUNSXKMSWXIC-TVQRCGJNSA-N 1 2 248.282 1.455 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCO1 ZINC000270123651 175375514 /nfs/dbraw/zinc/37/55/14/175375514.db2.gz WBGIRNZFYZNVEY-SNVBAGLBSA-N 1 2 222.244 1.208 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cccc(=O)[nH]1 ZINC000346280991 175376110 /nfs/dbraw/zinc/37/61/10/175376110.db2.gz KVTZQHJXSDTDQI-UHFFFAOYSA-N 1 2 245.238 1.443 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000290290219 175386072 /nfs/dbraw/zinc/38/60/72/175386072.db2.gz MSFNZKJIYPWMEM-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000290290219 175386073 /nfs/dbraw/zinc/38/60/73/175386073.db2.gz MSFNZKJIYPWMEM-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CC1OCCO1 ZINC000180204084 176026390 /nfs/dbraw/zinc/02/63/90/176026390.db2.gz MBVOTGJEVJLIPU-JTQLQIEISA-N 1 2 222.288 1.447 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC1OCCO1 ZINC000180204084 176026391 /nfs/dbraw/zinc/02/63/91/176026391.db2.gz MBVOTGJEVJLIPU-JTQLQIEISA-N 1 2 222.288 1.447 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnnn1C ZINC000272815714 176026561 /nfs/dbraw/zinc/02/65/61/176026561.db2.gz NYKNXHCOSZTMQQ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnnn1C ZINC000272815714 176026562 /nfs/dbraw/zinc/02/65/62/176026562.db2.gz NYKNXHCOSZTMQQ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000249273633 176040080 /nfs/dbraw/zinc/04/00/80/176040080.db2.gz JODHUDSZQQUUDM-UWVGGRQHSA-N 1 2 247.302 1.701 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000249273633 176040082 /nfs/dbraw/zinc/04/00/82/176040082.db2.gz JODHUDSZQQUUDM-UWVGGRQHSA-N 1 2 247.302 1.701 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCc2ccccc2C1 ZINC000287518037 176041250 /nfs/dbraw/zinc/04/12/50/176041250.db2.gz YTESUMBNEKXQAN-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCc2ccccc2C1 ZINC000287518037 176041252 /nfs/dbraw/zinc/04/12/52/176041252.db2.gz YTESUMBNEKXQAN-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cnoc1C1CC1 ZINC000365099458 176045468 /nfs/dbraw/zinc/04/54/68/176045468.db2.gz MEZVCFIMQHPNOF-SECBINFHSA-N 1 2 249.314 1.262 20 0 BDADLO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnoc1C1CC1 ZINC000365099458 176045469 /nfs/dbraw/zinc/04/54/69/176045469.db2.gz MEZVCFIMQHPNOF-SECBINFHSA-N 1 2 249.314 1.262 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000034224463 176046751 /nfs/dbraw/zinc/04/67/51/176046751.db2.gz JAAQKQBXFIMGGA-SNVBAGLBSA-N 1 2 204.273 1.007 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000034224463 176046753 /nfs/dbraw/zinc/04/67/53/176046753.db2.gz JAAQKQBXFIMGGA-SNVBAGLBSA-N 1 2 204.273 1.007 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000082319395 176092904 /nfs/dbraw/zinc/09/29/04/176092904.db2.gz VYGNGABXKQRFMF-SNVBAGLBSA-N 1 2 207.277 1.142 20 0 BDADLO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000293011445 176134891 /nfs/dbraw/zinc/13/48/91/176134891.db2.gz NZEHDBAXONSVMS-MWLCHTKSSA-N 1 2 209.293 1.050 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000281244869 176155609 /nfs/dbraw/zinc/15/56/09/176155609.db2.gz PRZFYKXUVZQUOJ-NEPJUHHUSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](C)C1 ZINC000263656770 176159118 /nfs/dbraw/zinc/15/91/18/176159118.db2.gz DKOHWYWJQZYQBT-GHMZBOCLSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@@H]1CCN(c2cccc[nH+]2)CC[S@@]1=O ZINC000276968101 176182039 /nfs/dbraw/zinc/18/20/39/176182039.db2.gz DKCWRQNYRFSTLO-BMIGLBTASA-N 1 2 224.329 1.429 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1CC(=O)c1cccn1C ZINC000367741334 176188254 /nfs/dbraw/zinc/18/82/54/176188254.db2.gz QULYFBMNYUKVAP-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1CC(=O)c1cccn1C ZINC000367741334 176188255 /nfs/dbraw/zinc/18/82/55/176188255.db2.gz QULYFBMNYUKVAP-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1nccs1 ZINC000374992173 176189950 /nfs/dbraw/zinc/18/99/50/176189950.db2.gz VZKXYRQRKACYRX-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1nccs1 ZINC000374992173 176189951 /nfs/dbraw/zinc/18/99/51/176189951.db2.gz VZKXYRQRKACYRX-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188678146 176198430 /nfs/dbraw/zinc/19/84/30/176198430.db2.gz XEZZWHFWEPTQRY-RKDXNWHRSA-N 1 2 248.330 1.068 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2ncon2)O1 ZINC000365057392 176203984 /nfs/dbraw/zinc/20/39/84/176203984.db2.gz ZNPSQKYQBIFHNY-OUAUKWLOSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2c2ncon2)O1 ZINC000365057392 176203985 /nfs/dbraw/zinc/20/39/85/176203985.db2.gz ZNPSQKYQBIFHNY-OUAUKWLOSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000357980422 176205299 /nfs/dbraw/zinc/20/52/99/176205299.db2.gz AAXFUWRWNVCBEC-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339169687 176231812 /nfs/dbraw/zinc/23/18/12/176231812.db2.gz YLBNZLZGDGNNLZ-MNOVXSKESA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000332325187 176232184 /nfs/dbraw/zinc/23/21/84/176232184.db2.gz OLMSTWJHHPZHSS-MNOVXSKESA-N 1 2 236.319 1.371 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)CO1 ZINC000276538752 176241115 /nfs/dbraw/zinc/24/11/15/176241115.db2.gz FVDSWRIKSZAULG-HIHHVFROSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H]1CN(C)CC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000356220531 176267319 /nfs/dbraw/zinc/26/73/19/176267319.db2.gz HJZUZAKKFMMDLU-SNVBAGLBSA-N 1 2 245.330 1.045 20 0 BDADLO C[C@@H]1CN(C)CC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000356220531 176267321 /nfs/dbraw/zinc/26/73/21/176267321.db2.gz HJZUZAKKFMMDLU-SNVBAGLBSA-N 1 2 245.330 1.045 20 0 BDADLO C[C@@H]1C[N@H+](CCC(F)(F)F)CC(=O)N1C ZINC000334337327 176285754 /nfs/dbraw/zinc/28/57/54/176285754.db2.gz VMVAKBAGAZGNEX-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)CC(=O)N1C ZINC000334337327 176285755 /nfs/dbraw/zinc/28/57/55/176285755.db2.gz VMVAKBAGAZGNEX-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H](C)S1=O ZINC000336357655 176286340 /nfs/dbraw/zinc/28/63/40/176286340.db2.gz YCOHKTMJRNZDPQ-HTQZYQBOSA-N 1 2 243.294 1.780 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)CCO1 ZINC000179861697 176306039 /nfs/dbraw/zinc/30/60/39/176306039.db2.gz NNZKECNENPTPNR-SNVBAGLBSA-N 1 2 235.283 1.636 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)CCO1 ZINC000179861697 176306041 /nfs/dbraw/zinc/30/60/41/176306041.db2.gz NNZKECNENPTPNR-SNVBAGLBSA-N 1 2 235.283 1.636 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(O)c2)CC(=O)N1C ZINC000282738349 176306175 /nfs/dbraw/zinc/30/61/75/176306175.db2.gz MXBMCAGTOBQHTH-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC(=O)N1C ZINC000282738349 176306177 /nfs/dbraw/zinc/30/61/77/176306177.db2.gz MXBMCAGTOBQHTH-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N(C)C)s2)CCO1 ZINC000271019921 176308393 /nfs/dbraw/zinc/30/83/93/176308393.db2.gz AQVZWGDIYDMNTK-SECBINFHSA-N 1 2 241.360 1.430 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)s2)CCO1 ZINC000271019921 176308394 /nfs/dbraw/zinc/30/83/94/176308394.db2.gz AQVZWGDIYDMNTK-SECBINFHSA-N 1 2 241.360 1.430 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000127000792 176308843 /nfs/dbraw/zinc/30/88/43/176308843.db2.gz PRKSKODZKVYUSR-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000248132552 176312487 /nfs/dbraw/zinc/31/24/87/176312487.db2.gz NNABYRYVZCPIJL-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@@H]1CO ZINC000361656304 176312712 /nfs/dbraw/zinc/31/27/12/176312712.db2.gz SGZKNLNVLKEPHE-RKDXNWHRSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@@H]1CO ZINC000361656304 176312714 /nfs/dbraw/zinc/31/27/14/176312714.db2.gz SGZKNLNVLKEPHE-RKDXNWHRSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3cccc(F)c3n2C)C[C@H]1O ZINC000336967906 176321072 /nfs/dbraw/zinc/32/10/72/176321072.db2.gz IMNPQWWMOXXXLP-LDYMZIIASA-N 1 2 249.289 1.529 20 0 BDADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1C ZINC000235343113 176322109 /nfs/dbraw/zinc/32/21/09/176322109.db2.gz REWACFLFBZTOJX-RNFRBKRXSA-N 1 2 226.711 1.804 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1C ZINC000235343113 176322111 /nfs/dbraw/zinc/32/21/11/176322111.db2.gz REWACFLFBZTOJX-RNFRBKRXSA-N 1 2 226.711 1.804 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000277855958 176343067 /nfs/dbraw/zinc/34/30/67/176343067.db2.gz RCUWTLPTWRDFGM-RQJHMYQMSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000277855958 176343068 /nfs/dbraw/zinc/34/30/68/176343068.db2.gz RCUWTLPTWRDFGM-RQJHMYQMSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)NCCn1cc[nH+]c1 ZINC000335875320 176364115 /nfs/dbraw/zinc/36/41/15/176364115.db2.gz UDACZBFKXPRQHE-NXEZZACHSA-N 1 2 222.292 1.075 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)[C@@H](C)O1 ZINC000333255728 176378282 /nfs/dbraw/zinc/37/82/82/176378282.db2.gz FDVHUJNZKQPUAA-NQMVMOMDSA-N 1 2 237.303 1.603 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000352616805 176388245 /nfs/dbraw/zinc/38/82/45/176388245.db2.gz WZXTZIHMEKOBMH-NXEZZACHSA-N 1 2 221.304 1.425 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000357321617 176392450 /nfs/dbraw/zinc/39/24/50/176392450.db2.gz ARDYQSVEYYVCFG-MWLCHTKSSA-N 1 2 232.331 1.788 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000357321617 176392451 /nfs/dbraw/zinc/39/24/51/176392451.db2.gz ARDYQSVEYYVCFG-MWLCHTKSSA-N 1 2 232.331 1.788 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276648911 176392641 /nfs/dbraw/zinc/39/26/41/176392641.db2.gz WIDHISJIKRPZQA-NXEZZACHSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000047597714 176393771 /nfs/dbraw/zinc/39/37/71/176393771.db2.gz AWTAZCLAYZRACV-GHMZBOCLSA-N 1 2 236.319 1.228 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)(C)C ZINC000330968644 176572977 /nfs/dbraw/zinc/57/29/77/176572977.db2.gz SEWMBLFWMXASKQ-SECBINFHSA-N 1 2 223.320 1.751 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(F)(F)CO ZINC000515432611 487635775 /nfs/dbraw/zinc/63/57/75/487635775.db2.gz GVTWMXDAXJMTKY-UHFFFAOYSA-N 1 2 217.219 1.133 20 0 BDADLO C[C@H](O)[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283076237 177007705 /nfs/dbraw/zinc/00/77/05/177007705.db2.gz KTOOICLPCBQVKP-FANORHCKSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@H](O)[C@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000035660525 177013425 /nfs/dbraw/zinc/01/34/25/177013425.db2.gz CVUIQGXVJYODPG-RCOVLWMOSA-N 1 2 237.234 1.256 20 0 BDADLO C[C@H](O)c1cnc(C[N@@H+]2CCCOCC2)s1 ZINC000366005458 177017965 /nfs/dbraw/zinc/01/79/65/177017965.db2.gz NTFBTULOUCGNQB-VIFPVBQESA-N 1 2 242.344 1.419 20 0 BDADLO C[C@H](O)c1cnc(C[N@H+]2CCCOCC2)s1 ZINC000366005458 177017967 /nfs/dbraw/zinc/01/79/67/177017967.db2.gz NTFBTULOUCGNQB-VIFPVBQESA-N 1 2 242.344 1.419 20 0 BDADLO C[C@H](c1ccccc1F)[N@H+](C)CC(N)=O ZINC000052074201 177041627 /nfs/dbraw/zinc/04/16/27/177041627.db2.gz YCYTUEGSPHGGBO-MRVPVSSYSA-N 1 2 210.252 1.304 20 0 BDADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(N)=O ZINC000052074201 177041629 /nfs/dbraw/zinc/04/16/29/177041629.db2.gz YCYTUEGSPHGGBO-MRVPVSSYSA-N 1 2 210.252 1.304 20 0 BDADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(N)=O ZINC000048581024 177041978 /nfs/dbraw/zinc/04/19/78/177041978.db2.gz QGAOUNVNNICAJQ-MRVPVSSYSA-N 1 2 226.707 1.818 20 0 BDADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(N)=O ZINC000048581024 177041979 /nfs/dbraw/zinc/04/19/79/177041979.db2.gz QGAOUNVNNICAJQ-MRVPVSSYSA-N 1 2 226.707 1.818 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000267447034 177042976 /nfs/dbraw/zinc/04/29/76/177042976.db2.gz ZZYCTAWBTLABCF-LLVKDONJSA-N 1 2 249.358 1.989 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000267447034 177042977 /nfs/dbraw/zinc/04/29/77/177042977.db2.gz ZZYCTAWBTLABCF-LLVKDONJSA-N 1 2 249.358 1.989 20 0 BDADLO C[C@H](c1ccccn1)[NH+]1CCN(C2CC2)CC1 ZINC000177058104 177044298 /nfs/dbraw/zinc/04/42/98/177044298.db2.gz OUALDZHDYTUWTR-GFCCVEGCSA-N 1 2 231.343 1.923 20 0 BDADLO C[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1C ZINC000264088694 177072937 /nfs/dbraw/zinc/07/29/37/177072937.db2.gz DNHWJBXDIXWWEC-JTQLQIEISA-N 1 2 236.319 1.504 20 0 BDADLO C[C@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000173142818 177108403 /nfs/dbraw/zinc/10/84/03/177108403.db2.gz NFIVVTTWVNKZCH-JTQLQIEISA-N 1 2 229.283 1.959 20 0 BDADLO C[C@H]1CCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000154687407 177108573 /nfs/dbraw/zinc/10/85/73/177108573.db2.gz HGPDJIMXWURLSQ-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO C[C@H]1CCC[N@H+]1CC(=O)Nc1nccs1 ZINC000154687407 177108575 /nfs/dbraw/zinc/10/85/75/177108575.db2.gz HGPDJIMXWURLSQ-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO C[C@H]1CCC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278136743 177142766 /nfs/dbraw/zinc/14/27/66/177142766.db2.gz AHDJIDRUOASCCY-IONNQARKSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276634096 177145285 /nfs/dbraw/zinc/14/52/85/177145285.db2.gz TYXQCSMXJLQOBM-HPOULIHZSA-N 1 2 205.261 1.291 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccco2)CC[S@@]1=O ZINC000277752670 177165281 /nfs/dbraw/zinc/16/52/81/177165281.db2.gz VAMFTAUTEQOROC-BONVTDFDSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccco2)CC[S@@]1=O ZINC000277752670 177165284 /nfs/dbraw/zinc/16/52/84/177165284.db2.gz VAMFTAUTEQOROC-BONVTDFDSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000277781494 177165689 /nfs/dbraw/zinc/16/56/89/177165689.db2.gz WSKXDBTWYBNEMD-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000277781494 177165691 /nfs/dbraw/zinc/16/56/91/177165691.db2.gz WSKXDBTWYBNEMD-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000309182259 177195640 /nfs/dbraw/zinc/19/56/40/177195640.db2.gz FTOJRUWOZIWCCS-CBAPKCEASA-N 1 2 217.276 1.574 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)NCc1c[nH+]cn1C ZINC000336397038 177198656 /nfs/dbraw/zinc/19/86/56/177198656.db2.gz UWCULLIWQYFGCX-UWVGGRQHSA-N 1 2 236.319 1.503 20 0 BDADLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cncs1 ZINC000270290170 177237836 /nfs/dbraw/zinc/23/78/36/177237836.db2.gz WVHYVCBIVYBCBK-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000339580971 177242959 /nfs/dbraw/zinc/24/29/59/177242959.db2.gz MQLOMQRKIONBNO-JGVFFNPUSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000339580971 177242960 /nfs/dbraw/zinc/24/29/60/177242960.db2.gz MQLOMQRKIONBNO-JGVFFNPUSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccsc2)CC(=O)N1C ZINC000282741689 177267418 /nfs/dbraw/zinc/26/74/18/177267418.db2.gz NHNNTHXTKOOPFF-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccsc2)CC(=O)N1C ZINC000282741689 177267419 /nfs/dbraw/zinc/26/74/19/177267419.db2.gz NHNNTHXTKOOPFF-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnc(N)c2)CCC1=O ZINC000283235838 177267914 /nfs/dbraw/zinc/26/79/14/177267914.db2.gz TWPGHBLYUJBXPV-VIFPVBQESA-N 1 2 219.288 1.075 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CCC1=O ZINC000283235838 177267915 /nfs/dbraw/zinc/26/79/15/177267915.db2.gz TWPGHBLYUJBXPV-VIFPVBQESA-N 1 2 219.288 1.075 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000119542029 177267946 /nfs/dbraw/zinc/26/79/46/177267946.db2.gz CWGKSSQXBXIVNU-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000119542029 177267947 /nfs/dbraw/zinc/26/79/47/177267947.db2.gz CWGKSSQXBXIVNU-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2)[C@@H](C)CN1C ZINC000336492420 177268565 /nfs/dbraw/zinc/26/85/65/177268565.db2.gz CFYDQTPRJWANSW-RYUDHWBXSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2)[C@@H](C)CN1C ZINC000336492420 177268566 /nfs/dbraw/zinc/26/85/66/177268566.db2.gz CFYDQTPRJWANSW-RYUDHWBXSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@H]1C ZINC000336318753 177270722 /nfs/dbraw/zinc/27/07/22/177270722.db2.gz WUPBIMGWNHXWOW-IUCAKERBSA-N 1 2 222.336 1.942 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@H]1C ZINC000336318753 177270723 /nfs/dbraw/zinc/27/07/23/177270723.db2.gz WUPBIMGWNHXWOW-IUCAKERBSA-N 1 2 222.336 1.942 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000293202238 177271534 /nfs/dbraw/zinc/27/15/34/177271534.db2.gz XTZFOIFKAFTQJQ-WDEREUQCSA-N 1 2 243.314 1.503 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000293202238 177271536 /nfs/dbraw/zinc/27/15/36/177271536.db2.gz XTZFOIFKAFTQJQ-WDEREUQCSA-N 1 2 243.314 1.503 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnnn2C)[C@H]1c1ccccc1 ZINC000365782068 177271635 /nfs/dbraw/zinc/27/16/35/177271635.db2.gz ANEPADYBRKYXQX-GXFFZTMASA-N 1 2 243.314 1.403 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnnn2C)[C@H]1c1ccccc1 ZINC000365782068 177271636 /nfs/dbraw/zinc/27/16/36/177271636.db2.gz ANEPADYBRKYXQX-GXFFZTMASA-N 1 2 243.314 1.403 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000351805873 177271957 /nfs/dbraw/zinc/27/19/57/177271957.db2.gz CZZXEWFZWNRLPS-YUMQZZPRSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000351805873 177271959 /nfs/dbraw/zinc/27/19/59/177271959.db2.gz CZZXEWFZWNRLPS-YUMQZZPRSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@H]1C[NH+](Cc2ncc[nH]2)C[C@H](C)S1 ZINC000336561319 177272235 /nfs/dbraw/zinc/27/22/35/177272235.db2.gz QVPFUIQMNADNQO-IUCAKERBSA-N 1 2 211.334 1.736 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)CC[S@@](=O)C1 ZINC000278187608 177277551 /nfs/dbraw/zinc/27/75/51/177277551.db2.gz PZRQQXFKXISOPJ-ZUZCIYMTSA-N 1 2 224.329 1.286 20 0 BDADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1C ZINC000235676379 177279000 /nfs/dbraw/zinc/27/90/00/177279000.db2.gz REWACFLFBZTOJX-BQBZGAKWSA-N 1 2 226.711 1.804 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@@H]1C ZINC000235676379 177279001 /nfs/dbraw/zinc/27/90/01/177279001.db2.gz REWACFLFBZTOJX-BQBZGAKWSA-N 1 2 226.711 1.804 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000334054564 177297353 /nfs/dbraw/zinc/29/73/53/177297353.db2.gz UCPOBLCKUZYOEI-GXSJLCMTSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000334054564 177297355 /nfs/dbraw/zinc/29/73/55/177297355.db2.gz UCPOBLCKUZYOEI-GXSJLCMTSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000271072876 177301941 /nfs/dbraw/zinc/30/19/41/177301941.db2.gz OWTBPXBYRVPKPP-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000271072876 177301944 /nfs/dbraw/zinc/30/19/44/177301944.db2.gz OWTBPXBYRVPKPP-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)CO1 ZINC000333909191 177309929 /nfs/dbraw/zinc/30/99/29/177309929.db2.gz WIVCSZBKBGLZIV-VHSXEESVSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC000337860558 177317698 /nfs/dbraw/zinc/31/76/98/177317698.db2.gz ITZOFKUAZIKYFN-BDAKNGLRSA-N 1 2 231.303 1.598 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(C2CC2)no1 ZINC000336622820 177360788 /nfs/dbraw/zinc/36/07/88/177360788.db2.gz XBGRQAWZTQNUGP-YUMQZZPRSA-N 1 2 207.277 1.930 20 0 BDADLO C[C@H]1C[C@H](NC(=O)N[C@H]2CC2(C)C)c2[nH+]ccn21 ZINC000334121924 177368064 /nfs/dbraw/zinc/36/80/64/177368064.db2.gz LYYACIWNMQDGCQ-GUBZILKMSA-N 1 2 248.330 1.987 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nccn1C(F)F ZINC000336168865 177373366 /nfs/dbraw/zinc/37/33/66/177373366.db2.gz DOWKRLAEOKQWTI-YUMQZZPRSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nccn1C(F)F ZINC000336168865 177373367 /nfs/dbraw/zinc/37/33/67/177373367.db2.gz DOWKRLAEOKQWTI-YUMQZZPRSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000352620354 177378422 /nfs/dbraw/zinc/37/84/22/177378422.db2.gz BXXKNYAUFAVJPV-UWVGGRQHSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000299684366 177379020 /nfs/dbraw/zinc/37/90/20/177379020.db2.gz SVQIYDVLIFGRMC-UWVGGRQHSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331615916 177379125 /nfs/dbraw/zinc/37/91/25/177379125.db2.gz GASJBNRSPMXQIT-IUCAKERBSA-N 1 2 221.304 1.460 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2nncn2C)o1 ZINC000037989097 177386692 /nfs/dbraw/zinc/38/66/92/177386692.db2.gz ALDWFZQPXUJWPO-GXSJLCMTSA-N 1 2 246.314 1.821 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000275108696 177399316 /nfs/dbraw/zinc/39/93/16/177399316.db2.gz FPTVGPINXVPOPE-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000275108696 177399317 /nfs/dbraw/zinc/39/93/17/177399317.db2.gz FPTVGPINXVPOPE-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC000276231318 177399858 /nfs/dbraw/zinc/39/98/58/177399858.db2.gz NCSZJGHITIVHCR-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC000276231318 177399860 /nfs/dbraw/zinc/39/98/60/177399860.db2.gz NCSZJGHITIVHCR-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ccc(O)cc1 ZINC000228410324 487638664 /nfs/dbraw/zinc/63/86/64/487638664.db2.gz DZICJMKIUQKTOR-UHFFFAOYSA-N 1 2 246.314 1.854 20 0 BDADLO C[S@@](=O)Cc1ccccc1NCc1[nH]cc[nH+]1 ZINC000358165720 177493282 /nfs/dbraw/zinc/49/32/82/177493282.db2.gz OFDZCYYLSQPDPD-QGZVFWFLSA-N 1 2 249.339 1.900 20 0 BDADLO COCC[C@H](C)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000674864933 487638488 /nfs/dbraw/zinc/63/84/88/487638488.db2.gz MKKMBXUCGBGUCC-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[C@H](C)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000674864933 487638489 /nfs/dbraw/zinc/63/84/89/487638489.db2.gz MKKMBXUCGBGUCC-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cocn2)C1 ZINC000668844347 487638508 /nfs/dbraw/zinc/63/85/08/487638508.db2.gz JJNMQAYGMOWBDS-UHFFFAOYSA-N 1 2 246.314 1.982 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cocn2)C1 ZINC000668844347 487638509 /nfs/dbraw/zinc/63/85/09/487638509.db2.gz JJNMQAYGMOWBDS-UHFFFAOYSA-N 1 2 246.314 1.982 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000678044214 487642707 /nfs/dbraw/zinc/64/27/07/487642707.db2.gz NMFIPWUXKHHRJK-YIZRAAEISA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000678044214 487642712 /nfs/dbraw/zinc/64/27/12/487642712.db2.gz NMFIPWUXKHHRJK-YIZRAAEISA-N 1 2 241.253 1.266 20 0 BDADLO Cc1ncsc1/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000492661099 226034983 /nfs/dbraw/zinc/03/49/83/226034983.db2.gz FXBHAJUBZWEBEC-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(/C=C\C1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492689141 226039078 /nfs/dbraw/zinc/03/90/78/226039078.db2.gz MBQCWXQCSXPPPA-DLRQAJBASA-N 1 2 231.299 1.280 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/C1CC1)C1CC1 ZINC000492803921 226055457 /nfs/dbraw/zinc/05/54/57/226055457.db2.gz SSQYGXPENIEBBL-WXJAXGNASA-N 1 2 245.326 1.954 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1F ZINC000492821593 226059850 /nfs/dbraw/zinc/05/98/50/226059850.db2.gz FEUWLCDNDDGDHT-WAYWQWQTSA-N 1 2 245.257 1.878 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000492821965 226060234 /nfs/dbraw/zinc/06/02/34/226060234.db2.gz GEOJIJQLPXHXJJ-UZPIOYONSA-N 1 2 231.299 1.681 20 0 BDADLO Cc1cccnc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858685 226068384 /nfs/dbraw/zinc/06/83/84/226068384.db2.gz FUFVNBCOTWISGQ-PLNGDYQASA-N 1 2 242.282 1.443 20 0 BDADLO COCCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492901360 226079383 /nfs/dbraw/zinc/07/93/83/226079383.db2.gz OWYXKHOYXRMTFJ-DJWKRKHSSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000493328384 226187919 /nfs/dbraw/zinc/18/79/19/226187919.db2.gz VREIACGCDVCGLX-OVVPUXAQSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCS1 ZINC000493041442 226109725 /nfs/dbraw/zinc/10/97/25/226109725.db2.gz YPJBZQOJBXILAN-UMBAGQNISA-N 1 2 237.328 1.435 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CS1 ZINC000493050027 226112457 /nfs/dbraw/zinc/11/24/57/226112457.db2.gz OLMVPKJUKZGRIR-XPDWMRMNSA-N 1 2 237.328 1.433 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCCC1 ZINC000493124410 226133240 /nfs/dbraw/zinc/13/32/40/226133240.db2.gz FBFPVEBQUHSQGJ-SNAWJCMRSA-N 1 2 205.261 1.435 20 0 BDADLO CCc1noc(C)c1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493123016 226133390 /nfs/dbraw/zinc/13/33/90/226133390.db2.gz CLRSANMXYGWWGH-SNAWJCMRSA-N 1 2 246.270 1.920 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000495472163 226281301 /nfs/dbraw/zinc/28/13/01/226281301.db2.gz GHWJKJMFRDBVMC-JTQLQIEISA-N 1 2 244.335 1.232 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000495472163 226281302 /nfs/dbraw/zinc/28/13/02/226281302.db2.gz GHWJKJMFRDBVMC-JTQLQIEISA-N 1 2 244.335 1.232 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H](F)C1 ZINC000493419612 226210989 /nfs/dbraw/zinc/21/09/89/226210989.db2.gz MPVVVOXRAPCHQT-CDAZIORVSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC2(CCC2)C1 ZINC000493428481 226214293 /nfs/dbraw/zinc/21/42/93/226214293.db2.gz HZLOHTPMUKDNIF-NSCUHMNNSA-N 1 2 231.299 1.826 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOC2(CCC2)C1 ZINC000493471032 226225184 /nfs/dbraw/zinc/22/51/84/226225184.db2.gz XRYLKFWFGCOCBV-IHWYPQMZSA-N 1 2 247.298 1.204 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1C[C@H]2C[C@H]2C1 ZINC000493523864 226238495 /nfs/dbraw/zinc/23/84/95/226238495.db2.gz LEZNCZAYLSYTKG-CIFOKDGHSA-N 1 2 217.272 1.338 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCC12CCC2 ZINC000493530806 226240056 /nfs/dbraw/zinc/24/00/56/226240056.db2.gz SJLXCIXXIIVNBC-ONEGZZNKSA-N 1 2 231.299 1.968 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\C(C)(C)C ZINC000493610156 226245884 /nfs/dbraw/zinc/24/58/84/226245884.db2.gz JMLQNVFHEMHWEO-WAYWQWQTSA-N 1 2 221.304 1.639 20 0 BDADLO Cc1nn(C)c(NC(=O)/C=C/c2[nH]cc[nH+]2)c1C ZINC000493712606 226250646 /nfs/dbraw/zinc/25/06/46/226250646.db2.gz FWBGUXGAYDWGPO-SNAWJCMRSA-N 1 2 245.286 1.412 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H](CO)C1CCCC1 ZINC000493718754 226250769 /nfs/dbraw/zinc/25/07/69/226250769.db2.gz OHPJSYIHPHLPIO-QRGHLMKCSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1CN=C(NC(=O)/C=C/c2[nH]cc[nH+]2)S1 ZINC000493715990 226250865 /nfs/dbraw/zinc/25/08/65/226250865.db2.gz BMJSPMZGLBFYGW-TYWZFMJISA-N 1 2 236.300 1.030 20 0 BDADLO COc1ncccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493756254 226252767 /nfs/dbraw/zinc/25/27/67/226252767.db2.gz NXSUKUNUYBJCAU-PLNGDYQASA-N 1 2 244.254 1.465 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(F)(F)F ZINC000493763468 226253009 /nfs/dbraw/zinc/25/30/09/226253009.db2.gz YZJPOSYKMTVYHX-SZKDQXIBSA-N 1 2 233.193 1.490 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC(C)(C)C)[nH]1 ZINC000674910438 487652497 /nfs/dbraw/zinc/65/24/97/487652497.db2.gz BNJLYBSYOLHTAW-UHFFFAOYSA-N 1 2 226.324 1.360 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC(C)(C)C)[nH]1 ZINC000674910438 487652502 /nfs/dbraw/zinc/65/25/02/487652502.db2.gz BNJLYBSYOLHTAW-UHFFFAOYSA-N 1 2 226.324 1.360 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]2C[C@H]21 ZINC000672129314 487669830 /nfs/dbraw/zinc/66/98/30/487669830.db2.gz XETNVBXMGXJKGT-QJPTWQEYSA-N 1 2 245.326 1.456 20 0 BDADLO COc1ccc(N[C@H](C)c2ccn(C)n2)[nH+]c1 ZINC000665739599 487671519 /nfs/dbraw/zinc/67/15/19/487671519.db2.gz LBSLIHPFAJOACJ-SECBINFHSA-N 1 2 232.287 1.997 20 0 BDADLO COc1ccc(CNc2cc[nH+]c(C)n2)cn1 ZINC000062055103 229149792 /nfs/dbraw/zinc/14/97/92/229149792.db2.gz GFYSXFNFJIBWTI-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)[C@H]1COC(C)(C)C1 ZINC000660142162 487685172 /nfs/dbraw/zinc/68/51/72/487685172.db2.gz PNSAHXHUOKOCQA-SECBINFHSA-N 1 2 209.293 1.409 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)[C@H]1COC(C)(C)C1 ZINC000660142162 487685175 /nfs/dbraw/zinc/68/51/75/487685175.db2.gz PNSAHXHUOKOCQA-SECBINFHSA-N 1 2 209.293 1.409 20 0 BDADLO FCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000671682242 487688357 /nfs/dbraw/zinc/68/83/57/487688357.db2.gz IMFFPRFVQVPWIU-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO FCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000671682242 487688363 /nfs/dbraw/zinc/68/83/63/487688363.db2.gz IMFFPRFVQVPWIU-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665875309 487688191 /nfs/dbraw/zinc/68/81/91/487688191.db2.gz CLGBSDCCYVVWAI-VHSXEESVSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665875309 487688196 /nfs/dbraw/zinc/68/81/96/487688196.db2.gz CLGBSDCCYVVWAI-VHSXEESVSA-N 1 2 235.331 1.819 20 0 BDADLO Cc1cc(C)c(CNc2nccnc2C)c[nH+]1 ZINC000397059896 262832659 /nfs/dbraw/zinc/83/26/59/262832659.db2.gz WJJFYEVINUWSTH-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccnc(C)c2)n1 ZINC000527720421 262876035 /nfs/dbraw/zinc/87/60/35/262876035.db2.gz LCVLNHGPPWQBEU-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000528721321 262967005 /nfs/dbraw/zinc/96/70/05/262967005.db2.gz FNWJVALTOKKDJM-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000528721321 262967007 /nfs/dbraw/zinc/96/70/07/262967007.db2.gz FNWJVALTOKKDJM-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)CS1 ZINC000228648149 487699893 /nfs/dbraw/zinc/69/98/93/487699893.db2.gz TXQBYRLSMMDWKI-RQJHMYQMSA-N 1 2 211.277 1.098 20 0 BDADLO COc1ccc(NCc2cc(C)n(C)n2)[nH+]c1 ZINC000666229338 487701203 /nfs/dbraw/zinc/70/12/03/487701203.db2.gz IVFZMFAOOLOUAF-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671709443 487702268 /nfs/dbraw/zinc/70/22/68/487702268.db2.gz DZRCKZCBQNVXIB-DJLDLDEBSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671709443 487702272 /nfs/dbraw/zinc/70/22/72/487702272.db2.gz DZRCKZCBQNVXIB-DJLDLDEBSA-N 1 2 241.253 1.266 20 0 BDADLO COCCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671709296 487702989 /nfs/dbraw/zinc/70/29/89/487702989.db2.gz ARZGAINXPJXQSG-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671709296 487702993 /nfs/dbraw/zinc/70/29/93/487702993.db2.gz ARZGAINXPJXQSG-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CN(CC(F)(F)F)C(=O)NCc1c[nH+]c[nH]1 ZINC000669705975 487705083 /nfs/dbraw/zinc/70/50/83/487705083.db2.gz CVUYBBIGXHUNBQ-UHFFFAOYSA-N 1 2 236.197 1.113 20 0 BDADLO CN(CC(F)(F)F)C(=O)NCc1c[nH]c[nH+]1 ZINC000669705975 487705085 /nfs/dbraw/zinc/70/50/85/487705085.db2.gz CVUYBBIGXHUNBQ-UHFFFAOYSA-N 1 2 236.197 1.113 20 0 BDADLO CC(C)[C@@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000671721075 487707099 /nfs/dbraw/zinc/70/70/99/487707099.db2.gz NDVYRGKMQQJLNO-LLVKDONJSA-N 1 2 233.271 1.290 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000179931228 487707961 /nfs/dbraw/zinc/70/79/61/487707961.db2.gz MDOYESYIARVNDK-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000179931228 487707967 /nfs/dbraw/zinc/70/79/67/487707967.db2.gz MDOYESYIARVNDK-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccc(O)c(F)c1 ZINC000681059989 487710302 /nfs/dbraw/zinc/71/03/02/487710302.db2.gz QGJVITDQKWNWTF-UHFFFAOYSA-N 1 2 248.213 1.306 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCCF ZINC000667679490 487716168 /nfs/dbraw/zinc/71/61/68/487716168.db2.gz GLEULFSRZKASHP-UHFFFAOYSA-N 1 2 212.224 1.778 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398360193 487718870 /nfs/dbraw/zinc/71/88/70/487718870.db2.gz JBIUFZSBWWNINC-QWRGUYRKSA-N 1 2 236.319 1.242 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398360193 487718876 /nfs/dbraw/zinc/71/88/76/487718876.db2.gz JBIUFZSBWWNINC-QWRGUYRKSA-N 1 2 236.319 1.242 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398360188 487718908 /nfs/dbraw/zinc/71/89/08/487718908.db2.gz JBIUFZSBWWNINC-MNOVXSKESA-N 1 2 236.319 1.242 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398360188 487718916 /nfs/dbraw/zinc/71/89/16/487718916.db2.gz JBIUFZSBWWNINC-MNOVXSKESA-N 1 2 236.319 1.242 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC2(F)F)C1 ZINC001172584747 974887842 /nfs/dbraw/zinc/88/78/42/974887842.db2.gz ADHFNPLZLXATQY-HRDYMLBCSA-N 1 2 233.258 1.715 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000668419745 487722045 /nfs/dbraw/zinc/72/20/45/487722045.db2.gz KZXXMZHKNRBVLT-MNOVXSKESA-N 1 2 234.299 1.566 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000681097896 487722150 /nfs/dbraw/zinc/72/21/50/487722150.db2.gz SJDXNUJRCSIZRZ-DCAQKATOSA-N 1 2 233.315 1.392 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nccn1C(F)F ZINC000676714063 487724574 /nfs/dbraw/zinc/72/45/74/487724574.db2.gz OBYVBXUKLZRPEO-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nccn1C(F)F ZINC000676714063 487724580 /nfs/dbraw/zinc/72/45/80/487724580.db2.gz OBYVBXUKLZRPEO-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](C2CCC2)C1 ZINC000665683324 487727718 /nfs/dbraw/zinc/72/77/18/487727718.db2.gz UUAHUFKAHMAOGD-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](C2CCC2)C1 ZINC000665683324 487727725 /nfs/dbraw/zinc/72/77/25/487727725.db2.gz UUAHUFKAHMAOGD-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H]1C[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665697914 487732633 /nfs/dbraw/zinc/73/26/33/487732633.db2.gz KWLOEMQYHPFFRN-NKWVEPMBSA-N 1 2 206.249 1.101 20 0 BDADLO C[C@H]1C[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665697914 487732639 /nfs/dbraw/zinc/73/26/39/487732639.db2.gz KWLOEMQYHPFFRN-NKWVEPMBSA-N 1 2 206.249 1.101 20 0 BDADLO CC(C)(C)CNc1[nH+]cnc2c1OCCN2 ZINC000665694243 487733463 /nfs/dbraw/zinc/73/34/63/487733463.db2.gz URHALLBGUSBQLB-UHFFFAOYSA-N 1 2 222.292 1.739 20 0 BDADLO CC(C)(C)CNc1nc[nH+]c2c1OCCN2 ZINC000665694243 487733468 /nfs/dbraw/zinc/73/34/68/487733468.db2.gz URHALLBGUSBQLB-UHFFFAOYSA-N 1 2 222.292 1.739 20 0 BDADLO C[C@H]1CCN(c2nc[nH+]c3c2OCCN3)[C@H]1C ZINC000665704737 487735734 /nfs/dbraw/zinc/73/57/34/487735734.db2.gz PHMWYERFGQMWLC-IUCAKERBSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2OCCN3)[C@H]1C ZINC000665704737 487735738 /nfs/dbraw/zinc/73/57/38/487735738.db2.gz PHMWYERFGQMWLC-IUCAKERBSA-N 1 2 234.303 1.516 20 0 BDADLO C1=C(CCNc2[nH+]cnc3c2OCCN3)CCC1 ZINC000665708572 487736460 /nfs/dbraw/zinc/73/64/60/487736460.db2.gz DOKCOIJKYHQCLY-UHFFFAOYSA-N 1 2 246.314 1.306 20 0 BDADLO C1=C(CCNc2nc[nH+]c3c2OCCN3)CCC1 ZINC000665708572 487736465 /nfs/dbraw/zinc/73/64/65/487736465.db2.gz DOKCOIJKYHQCLY-UHFFFAOYSA-N 1 2 246.314 1.306 20 0 BDADLO FC1(F)CC(Nc2nc[nH+]c3c2OCCN3)C1 ZINC000665714769 487737946 /nfs/dbraw/zinc/73/79/46/487737946.db2.gz GASVMDSBAOAYAF-UHFFFAOYSA-N 1 2 242.229 1.491 20 0 BDADLO FC1(F)CC(Nc2[nH+]cnc3c2OCCN3)C1 ZINC000665714769 487737955 /nfs/dbraw/zinc/73/79/55/487737955.db2.gz GASVMDSBAOAYAF-UHFFFAOYSA-N 1 2 242.229 1.491 20 0 BDADLO c1nc(N[C@H]2CCCOC2)cc(NC2CC2)[nH+]1 ZINC000665720054 487738575 /nfs/dbraw/zinc/73/85/75/487738575.db2.gz XESBTTQLIILWNG-JTQLQIEISA-N 1 2 234.303 1.642 20 0 BDADLO c1nc(NC2CC2)cc(N[C@H]2CCCOC2)[nH+]1 ZINC000665720054 487738581 /nfs/dbraw/zinc/73/85/81/487738581.db2.gz XESBTTQLIILWNG-JTQLQIEISA-N 1 2 234.303 1.642 20 0 BDADLO CCC[NH+]1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000036896414 487739713 /nfs/dbraw/zinc/73/97/13/487739713.db2.gz IZHRCUUHHMYRFZ-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO CC(F)(F)CNc1nc[nH+]c2c1OCCN2 ZINC000665720930 487739822 /nfs/dbraw/zinc/73/98/22/487739822.db2.gz WNMXVVMGROXYIK-UHFFFAOYSA-N 1 2 230.218 1.348 20 0 BDADLO CC(F)(F)CNc1[nH+]cnc2c1OCCN2 ZINC000665720930 487739826 /nfs/dbraw/zinc/73/98/26/487739826.db2.gz WNMXVVMGROXYIK-UHFFFAOYSA-N 1 2 230.218 1.348 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2cccn2C)o1 ZINC000675506106 487743849 /nfs/dbraw/zinc/74/38/49/487743849.db2.gz QRQKASSXYBNSMG-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2cccn2C)o1 ZINC000675506106 487743851 /nfs/dbraw/zinc/74/38/51/487743851.db2.gz QRQKASSXYBNSMG-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000649450901 487748619 /nfs/dbraw/zinc/74/86/19/487748619.db2.gz CUKGOVDGIPSLGP-KOLCDFICSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000649450901 487748622 /nfs/dbraw/zinc/74/86/22/487748622.db2.gz CUKGOVDGIPSLGP-KOLCDFICSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@@H]1C[N@H+](CCSC(F)(F)F)CCN1C ZINC000886092478 585037044 /nfs/dbraw/zinc/03/70/44/585037044.db2.gz XZDARRMVVLWIPM-MRVPVSSYSA-N 1 2 242.310 1.875 20 0 BDADLO C[C@@H]1C[N@@H+](CCSC(F)(F)F)CCN1C ZINC000886092478 585037045 /nfs/dbraw/zinc/03/70/45/585037045.db2.gz XZDARRMVVLWIPM-MRVPVSSYSA-N 1 2 242.310 1.875 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000676794717 487764061 /nfs/dbraw/zinc/76/40/61/487764061.db2.gz VVVJPPPVJFVWNJ-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000676794717 487764065 /nfs/dbraw/zinc/76/40/65/487764065.db2.gz VVVJPPPVJFVWNJ-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)c(C)n1 ZINC000444720153 487767098 /nfs/dbraw/zinc/76/70/98/487767098.db2.gz OLFFPCKJEMKVIS-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO CO[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000668448618 487770336 /nfs/dbraw/zinc/77/03/36/487770336.db2.gz RXTCJJGFAJTVQS-NSHDSACASA-N 1 2 237.303 1.183 20 0 BDADLO CCCn1nccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448332 487770377 /nfs/dbraw/zinc/77/03/77/487770377.db2.gz NIAAJANRTWCCFR-UHFFFAOYSA-N 1 2 247.302 1.288 20 0 BDADLO COc1ccc(NC(=O)Cc2c[nH+]cn2C)nc1 ZINC000672933742 487770740 /nfs/dbraw/zinc/77/07/40/487770740.db2.gz YNJHGVLBJHGHBW-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCN(C)C2=O)c(C)[nH+]1 ZINC000681307922 487773989 /nfs/dbraw/zinc/77/39/89/487773989.db2.gz XETYGWIQVIMQSU-SNVBAGLBSA-N 1 2 247.298 1.115 20 0 BDADLO FC[C@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413304969 487778229 /nfs/dbraw/zinc/77/82/29/487778229.db2.gz YUIMXTNTVKAUOJ-SNVBAGLBSA-N 1 2 236.294 1.989 20 0 BDADLO FC[C@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000413304969 487778234 /nfs/dbraw/zinc/77/82/34/487778234.db2.gz YUIMXTNTVKAUOJ-SNVBAGLBSA-N 1 2 236.294 1.989 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1CC12CCC2 ZINC000681356328 487783122 /nfs/dbraw/zinc/78/31/22/487783122.db2.gz TZBNPJHKTSQRGX-JTQLQIEISA-N 1 2 245.326 1.698 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000681363599 487784527 /nfs/dbraw/zinc/78/45/27/487784527.db2.gz SFMBONGINZQVGO-GHMZBOCLSA-N 1 2 247.342 1.944 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679223480 487786095 /nfs/dbraw/zinc/78/60/95/487786095.db2.gz PYZBILMJESIHPJ-NWDGAFQWSA-N 1 2 244.354 1.973 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679223480 487786097 /nfs/dbraw/zinc/78/60/97/487786097.db2.gz PYZBILMJESIHPJ-NWDGAFQWSA-N 1 2 244.354 1.973 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000666352180 487792138 /nfs/dbraw/zinc/79/21/38/487792138.db2.gz PYYPAMYRPLQISA-UTUOFQBUSA-N 1 2 233.315 1.436 20 0 BDADLO c1coc(SCC[NH+]2CCOCC2)n1 ZINC000772248028 585610910 /nfs/dbraw/zinc/61/09/10/585610910.db2.gz XXYNXXWFSMXGSZ-UHFFFAOYSA-N 1 2 214.290 1.099 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666405905 487801123 /nfs/dbraw/zinc/80/11/23/487801123.db2.gz MDRBLUXITSWSBX-OPRDCNLKSA-N 1 2 233.315 1.287 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666405905 487801128 /nfs/dbraw/zinc/80/11/28/487801128.db2.gz MDRBLUXITSWSBX-OPRDCNLKSA-N 1 2 233.315 1.287 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC1(C)C)C2 ZINC000681513823 487808688 /nfs/dbraw/zinc/80/86/88/487808688.db2.gz GHCZLYJQHVQPQY-JOYOIKCWSA-N 1 2 247.342 1.738 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC1(C)C)CC2 ZINC000681513823 487808690 /nfs/dbraw/zinc/80/86/90/487808690.db2.gz GHCZLYJQHVQPQY-JOYOIKCWSA-N 1 2 247.342 1.738 20 0 BDADLO Cc1occc1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000676078925 487809675 /nfs/dbraw/zinc/80/96/75/487809675.db2.gz RTWVLIUYHRAYLF-UHFFFAOYSA-N 1 2 247.302 1.760 20 0 BDADLO Cc1occc1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000676078925 487809681 /nfs/dbraw/zinc/80/96/81/487809681.db2.gz RTWVLIUYHRAYLF-UHFFFAOYSA-N 1 2 247.302 1.760 20 0 BDADLO C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1C ZINC000072873341 487811557 /nfs/dbraw/zinc/81/15/57/487811557.db2.gz DBMVGKBCTXCQIE-HTQZYQBOSA-N 1 2 240.332 1.064 20 0 BDADLO C[C@H](CC(=O)N1CCC(F)(F)C1)n1cc[nH+]c1 ZINC000651665829 487812921 /nfs/dbraw/zinc/81/29/21/487812921.db2.gz HVOXRXHCHJUFOV-SECBINFHSA-N 1 2 243.257 1.702 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(F)c(C(N)=O)c1 ZINC000051922302 487817749 /nfs/dbraw/zinc/81/77/49/487817749.db2.gz HCBIZLIXIZZNQD-UHFFFAOYSA-N 1 2 248.261 1.270 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681583667 487818711 /nfs/dbraw/zinc/81/87/11/487818711.db2.gz GLIAZMGEYOBRFI-QWRGUYRKSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC1CC1)c1cscn1 ZINC000229113452 487820911 /nfs/dbraw/zinc/82/09/11/487820911.db2.gz REAUEGNURLNYPP-SSDOTTSWSA-N 1 2 225.317 1.072 20 0 BDADLO Cc1cc(NC(=O)NC2([C@H](C)O)CC2)c(C)c[nH+]1 ZINC000666495977 487821938 /nfs/dbraw/zinc/82/19/38/487821938.db2.gz HGLMRRFFRDDIBI-JTQLQIEISA-N 1 2 249.314 1.155 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828217 487822452 /nfs/dbraw/zinc/82/24/52/487822452.db2.gz PDXSWVTYRIXYTG-NSHDSACASA-N 1 2 249.314 1.295 20 0 BDADLO CO[C@@H](C)C[N@H+](C)CN1CCSC1=O ZINC000795745643 586091718 /nfs/dbraw/zinc/09/17/18/586091718.db2.gz DQDZQYKKXVMLLV-QMMMGPOBSA-N 1 2 218.322 1.079 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)CN1CCSC1=O ZINC000795745643 586091719 /nfs/dbraw/zinc/09/17/19/586091719.db2.gz DQDZQYKKXVMLLV-QMMMGPOBSA-N 1 2 218.322 1.079 20 0 BDADLO O=C(NC1CC=CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681652850 487831202 /nfs/dbraw/zinc/83/12/02/487831202.db2.gz GCDIOOGEFURJRD-NSHDSACASA-N 1 2 246.314 1.216 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827332213 587377274 /nfs/dbraw/zinc/37/72/74/587377274.db2.gz KXYKWXALNWKKRM-QMMMGPOBSA-N 1 2 240.130 1.675 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@H]1CCC(=O)O1 ZINC000851817378 588632908 /nfs/dbraw/zinc/63/29/08/588632908.db2.gz DMXYVSQKRVYCGN-MRVPVSSYSA-N 1 2 221.247 1.668 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CCC(=O)O1 ZINC000851817378 588632909 /nfs/dbraw/zinc/63/29/09/588632909.db2.gz DMXYVSQKRVYCGN-MRVPVSSYSA-N 1 2 221.247 1.668 20 0 BDADLO Cc1ccn([C@@H](C)CC(=O)NCc2c[nH+]c[nH]2)n1 ZINC000668996285 487844651 /nfs/dbraw/zinc/84/46/51/487844651.db2.gz XUNJDMWIZCLAEL-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO Cc1ccn([C@@H](C)CC(=O)NCc2c[nH]c[nH+]2)n1 ZINC000668996285 487844655 /nfs/dbraw/zinc/84/46/55/487844655.db2.gz XUNJDMWIZCLAEL-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877715203 590398722 /nfs/dbraw/zinc/39/87/22/590398722.db2.gz BBQKAIVQZZQJSH-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@@H](C)CONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891090 529328218 /nfs/dbraw/zinc/32/82/18/529328218.db2.gz KKBVTELUXHPOMY-XRVBUDJMSA-N 1 2 223.276 1.517 20 0 BDADLO COCCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668150404 487851703 /nfs/dbraw/zinc/85/17/03/487851703.db2.gz ZACPYPYVVCCKJE-UHFFFAOYSA-N 1 2 248.286 1.411 20 0 BDADLO CC(C)N(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000668151903 487853385 /nfs/dbraw/zinc/85/33/85/487853385.db2.gz RZWATPIQQWJZJL-NSHDSACASA-N 1 2 247.342 1.845 20 0 BDADLO CC1(C)C[C@H](O)CC[N@H+](Cc2csnn2)C1 ZINC000395350322 487855446 /nfs/dbraw/zinc/85/54/46/487855446.db2.gz RLMVQWRMKPAEKE-SNVBAGLBSA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[C@H](O)CC[N@@H+](Cc2csnn2)C1 ZINC000395350322 487855450 /nfs/dbraw/zinc/85/54/50/487855450.db2.gz RLMVQWRMKPAEKE-SNVBAGLBSA-N 1 2 241.360 1.521 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2CCSC2)CC1(F)F ZINC000668497902 487855515 /nfs/dbraw/zinc/85/55/15/487855515.db2.gz LFGAHSDPEWPKKR-DTWKUNHWSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)CC1(F)F ZINC000668497902 487855518 /nfs/dbraw/zinc/85/55/18/487855518.db2.gz LFGAHSDPEWPKKR-DTWKUNHWSA-N 1 2 237.315 1.441 20 0 BDADLO Cc1cc[nH+]cc1NC[C@H]1CNc2ccnn2C1 ZINC000676493632 487856670 /nfs/dbraw/zinc/85/66/70/487856670.db2.gz FIXYLVRLIBYGTO-NSHDSACASA-N 1 2 243.314 1.740 20 0 BDADLO Cc1c[nH+]cc(NC[C@@H]2CNc3ccnn3C2)c1 ZINC000676493617 487856717 /nfs/dbraw/zinc/85/67/17/487856717.db2.gz DZRDOCFBJWLACU-LLVKDONJSA-N 1 2 243.314 1.740 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668170917 487861321 /nfs/dbraw/zinc/86/13/21/487861321.db2.gz ZYHUSWKEVXPGMA-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668170917 487861326 /nfs/dbraw/zinc/86/13/26/487861326.db2.gz ZYHUSWKEVXPGMA-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO COC1(C)CN(Cc2[nH+]ccn2C(C)C)C1 ZINC000668172069 487862131 /nfs/dbraw/zinc/86/21/31/487862131.db2.gz CPGLFGIXBNPSGX-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO BrC1=CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000306442747 643324944 /nfs/dbraw/zinc/32/49/44/643324944.db2.gz LHSIGFVFPGZGIM-SECBINFHSA-N 1 2 232.121 1.760 20 0 BDADLO BrC1=CCC[N@H+]([C@@H]2CCOC2)C1 ZINC000306442747 643324963 /nfs/dbraw/zinc/32/49/63/643324963.db2.gz LHSIGFVFPGZGIM-SECBINFHSA-N 1 2 232.121 1.760 20 0 BDADLO C[C@@H](CNC(=O)CCCF)Cn1cc[nH+]c1 ZINC000669019336 487881958 /nfs/dbraw/zinc/88/19/58/487881958.db2.gz TXTGSQVRDBCUFT-JTQLQIEISA-N 1 2 227.283 1.385 20 0 BDADLO COc1cc(C)[nH+]c(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000494685794 533699516 /nfs/dbraw/zinc/69/95/16/533699516.db2.gz OTUMIIKBHSRWJU-CYBMUJFWSA-N 1 2 248.326 1.355 20 0 BDADLO Cc1nc(C[N@H+]2CCCOC[C@@H]2C)oc1C ZINC000676711751 487899167 /nfs/dbraw/zinc/89/91/67/487899167.db2.gz HNYSROKNBGCLTC-VIFPVBQESA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOC[C@@H]2C)oc1C ZINC000676711751 487899171 /nfs/dbraw/zinc/89/91/71/487899171.db2.gz HNYSROKNBGCLTC-VIFPVBQESA-N 1 2 224.304 1.902 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CCCCC1 ZINC000080526815 487901099 /nfs/dbraw/zinc/90/10/99/487901099.db2.gz KQZXUWIFABPNEQ-UHFFFAOYSA-N 1 2 236.319 1.884 20 0 BDADLO CCc1noc(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000676714033 487901972 /nfs/dbraw/zinc/90/19/72/487901972.db2.gz NNHFWOJVLWEIRP-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000676714033 487901976 /nfs/dbraw/zinc/90/19/76/487901976.db2.gz NNHFWOJVLWEIRP-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCCOC[C@H]1C ZINC000676714551 487902268 /nfs/dbraw/zinc/90/22/68/487902268.db2.gz VZADNNDUIZGJDE-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCCOC[C@H]1C ZINC000676714551 487902274 /nfs/dbraw/zinc/90/22/74/487902274.db2.gz VZADNNDUIZGJDE-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(F)F ZINC000671248963 487901989 /nfs/dbraw/zinc/90/19/89/487901989.db2.gz ZPXDEXHMXXCVHV-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO CCNC(=O)C[C@H]1CCCC[N@H+]1CC(F)F ZINC000671248963 487901993 /nfs/dbraw/zinc/90/19/93/487901993.db2.gz ZPXDEXHMXXCVHV-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000676714680 487902044 /nfs/dbraw/zinc/90/20/44/487902044.db2.gz XCMZGKJBZWULFG-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000676714680 487902047 /nfs/dbraw/zinc/90/20/47/487902047.db2.gz XCMZGKJBZWULFG-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCNc1ccccn1 ZINC000679343472 487920416 /nfs/dbraw/zinc/92/04/16/487920416.db2.gz AADMQWQXEXHHMJ-JTQLQIEISA-N 1 2 245.330 1.876 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC[C@H]1CCOC1 ZINC000682164887 487921677 /nfs/dbraw/zinc/92/16/77/487921677.db2.gz BSORSZWFZITEHP-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC[C@H]1CCOC1 ZINC000682164887 487921680 /nfs/dbraw/zinc/92/16/80/487921680.db2.gz BSORSZWFZITEHP-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO CC[C@H]1CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652331716 487921883 /nfs/dbraw/zinc/92/18/83/487921883.db2.gz QQZORHUXODIYSJ-LBPRGKRZSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC000682165632 487922877 /nfs/dbraw/zinc/92/28/77/487922877.db2.gz XGUNTSXDHRLPFN-VWYCJHECSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC000682165632 487922885 /nfs/dbraw/zinc/92/28/85/487922885.db2.gz XGUNTSXDHRLPFN-VWYCJHECSA-N 1 2 249.301 1.503 20 0 BDADLO Cc1[nH]ncc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000668554977 487925168 /nfs/dbraw/zinc/92/51/68/487925168.db2.gz RPRVSRGPKJLSBB-RKDXNWHRSA-N 1 2 223.320 1.167 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000669066878 487927760 /nfs/dbraw/zinc/92/77/60/487927760.db2.gz VPNLQZMQPZVNFM-DDHJBXDOSA-N 1 2 247.342 1.781 20 0 BDADLO Cc1c[nH+]c(C)c(NCc2cn(C)nn2)c1 ZINC000404589645 487928264 /nfs/dbraw/zinc/92/82/64/487928264.db2.gz WQKLWYWXTFISNL-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H](O)C2CC2)s1 ZINC000669930800 487932854 /nfs/dbraw/zinc/93/28/54/487932854.db2.gz KVFJJQZLENFUDO-XCBNKYQSSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)s1 ZINC000669930800 487932861 /nfs/dbraw/zinc/93/28/61/487932861.db2.gz KVFJJQZLENFUDO-XCBNKYQSSA-N 1 2 241.360 1.610 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)nn1 ZINC000669932881 487936598 /nfs/dbraw/zinc/93/65/98/487936598.db2.gz TYDGMOQYSSOVKR-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)nn1 ZINC000669932881 487936602 /nfs/dbraw/zinc/93/66/02/487936602.db2.gz TYDGMOQYSSOVKR-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccc(CO)o2)C[C@@H]1F ZINC000679360867 487940921 /nfs/dbraw/zinc/94/09/21/487940921.db2.gz WCAKZKQOMMFZDD-CABZTGNLSA-N 1 2 227.279 1.952 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C[C@@H]1F ZINC000679360867 487940925 /nfs/dbraw/zinc/94/09/25/487940925.db2.gz WCAKZKQOMMFZDD-CABZTGNLSA-N 1 2 227.279 1.952 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(O)cc1 ZINC000682406529 487950950 /nfs/dbraw/zinc/95/09/50/487950950.db2.gz RRWIVZOUCOXSPJ-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(O)cc1 ZINC000682406529 487950952 /nfs/dbraw/zinc/95/09/52/487950952.db2.gz RRWIVZOUCOXSPJ-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO CC[C@@H](C)OCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000533556889 322831827 /nfs/dbraw/zinc/83/18/27/322831827.db2.gz MGTHNGXYEMIGEL-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1csnn1 ZINC000398239505 322867028 /nfs/dbraw/zinc/86/70/28/322867028.db2.gz NVOXDBQBGTUONX-SSDOTTSWSA-N 1 2 242.348 1.103 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCO[C@H](CF)C1 ZINC000569378466 322965091 /nfs/dbraw/zinc/96/50/91/322965091.db2.gz RZYSNCTYJILRHN-LLVKDONJSA-N 1 2 239.294 1.658 20 0 BDADLO COc1ncccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000561333400 322999856 /nfs/dbraw/zinc/99/98/56/322999856.db2.gz NNTAVVKMNHBOKH-UHFFFAOYSA-N 1 2 249.314 1.371 20 0 BDADLO CC1(C)C(NC(=O)CCc2c[nH+]c[nH]2)C1(C)C ZINC000561500828 323002995 /nfs/dbraw/zinc/00/29/95/323002995.db2.gz RCJKZRVOQUFZTD-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO CC1(C)C(NC(=O)CCc2c[nH]c[nH+]2)C1(C)C ZINC000561500828 323002996 /nfs/dbraw/zinc/00/29/96/323002996.db2.gz RCJKZRVOQUFZTD-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)sn1 ZINC000561502981 323003145 /nfs/dbraw/zinc/00/31/45/323003145.db2.gz DYQUONZASWOKSI-UHFFFAOYSA-N 1 2 236.300 1.366 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000561525578 323003421 /nfs/dbraw/zinc/00/34/21/323003421.db2.gz GVFWFJMMPAHEJN-LLVKDONJSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000561545778 323003800 /nfs/dbraw/zinc/00/38/00/323003800.db2.gz FZKAPYWGIDVUGK-KXUCPTDWSA-N 1 2 249.314 1.123 20 0 BDADLO C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000561545778 323003801 /nfs/dbraw/zinc/00/38/01/323003801.db2.gz FZKAPYWGIDVUGK-KXUCPTDWSA-N 1 2 249.314 1.123 20 0 BDADLO CSCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427991021 323017327 /nfs/dbraw/zinc/01/73/27/323017327.db2.gz JPJVHENZJWLFKX-VIFPVBQESA-N 1 2 239.344 1.067 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)s1 ZINC000562517472 323022604 /nfs/dbraw/zinc/02/26/04/323022604.db2.gz MXVWRSMDDCNUHA-SNVBAGLBSA-N 1 2 248.355 1.822 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC000562639147 323026016 /nfs/dbraw/zinc/02/60/16/323026016.db2.gz SLMHLDQWYSIMCD-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1ncc(CNC(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000562688072 323027598 /nfs/dbraw/zinc/02/75/98/323027598.db2.gz BPDKGKOYNQIFBM-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO Cn1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000562857770 323032434 /nfs/dbraw/zinc/03/24/34/323032434.db2.gz XLFVVNDNYCISGN-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000562857770 323032435 /nfs/dbraw/zinc/03/24/35/323032435.db2.gz XLFVVNDNYCISGN-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO c1cn(Cc2nc(Cc3cncs3)no2)c[nH+]1 ZINC000562915573 323033394 /nfs/dbraw/zinc/03/33/94/323033394.db2.gz ZEAVFQUTIQLTHI-UHFFFAOYSA-N 1 2 247.283 1.362 20 0 BDADLO CC1(C)CC(C[N@@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000528448029 323033868 /nfs/dbraw/zinc/03/38/68/323033868.db2.gz HGGBMQNHEUVTDV-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO CC1(C)CC(C[N@H+]2CCn3c(n[nH]c3=O)C2)C1 ZINC000528448029 323033869 /nfs/dbraw/zinc/03/38/69/323033869.db2.gz HGGBMQNHEUVTDV-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO CC1(C)CC(C[N@@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000528448029 323033870 /nfs/dbraw/zinc/03/38/70/323033870.db2.gz HGGBMQNHEUVTDV-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO CC1(C)CC(C[N@H+]2CCN3C(=O)N=NC3C2)C1 ZINC000528448029 323033871 /nfs/dbraw/zinc/03/38/71/323033871.db2.gz HGGBMQNHEUVTDV-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCOC(C)C ZINC000569987980 323046738 /nfs/dbraw/zinc/04/67/38/323046738.db2.gz IMONEXMVVYMZTH-UHFFFAOYSA-N 1 2 223.320 1.742 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000570222191 323053343 /nfs/dbraw/zinc/05/33/43/323053343.db2.gz HZZANNSFJQZYNB-GZMMTYOYSA-N 1 2 224.283 1.384 20 0 BDADLO c1csc(N2CCC(Nc3c[nH]c[nH+]3)CC2)n1 ZINC000570355112 323057243 /nfs/dbraw/zinc/05/72/43/323057243.db2.gz GHOIXFQJWVPZRH-UHFFFAOYSA-N 1 2 249.343 1.947 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1ccc(C)o1 ZINC000570410043 323058787 /nfs/dbraw/zinc/05/87/87/323058787.db2.gz BLXGHBCISHPSRV-UHFFFAOYSA-N 1 2 247.298 1.663 20 0 BDADLO CCn1nccc1CC[N@@H+]1Cc2cccnc2C1 ZINC000570445641 323059550 /nfs/dbraw/zinc/05/95/50/323059550.db2.gz DJRRQFANXLBNTE-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1nccc1CC[N@H+]1Cc2cccnc2C1 ZINC000570445641 323059551 /nfs/dbraw/zinc/05/95/51/323059551.db2.gz DJRRQFANXLBNTE-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[C@@H](CC(=O)Nc1ncccc1O)n1cc[nH+]c1 ZINC000570520338 323062286 /nfs/dbraw/zinc/06/22/86/323062286.db2.gz SPBPWBQBUSQCCL-VIFPVBQESA-N 1 2 246.270 1.574 20 0 BDADLO CC(C)OCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000570769523 323069780 /nfs/dbraw/zinc/06/97/80/323069780.db2.gz JNMCQAMFILRCOP-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000570866100 323073036 /nfs/dbraw/zinc/07/30/36/323073036.db2.gz JQFHXTMZZTVBJX-QJPTWQEYSA-N 1 2 233.315 1.301 20 0 BDADLO CCO[C@H](CC)C(=O)NCc1[nH+]ccn1CC ZINC000570921508 323074473 /nfs/dbraw/zinc/07/44/73/323074473.db2.gz PKJGRXUFHGDJFM-SNVBAGLBSA-N 1 2 239.319 1.334 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531201843 323085292 /nfs/dbraw/zinc/08/52/92/323085292.db2.gz MLDYNBGAJKVMHB-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531201843 323085293 /nfs/dbraw/zinc/08/52/93/323085293.db2.gz MLDYNBGAJKVMHB-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CO[C@H](C)C1 ZINC000565313572 323085786 /nfs/dbraw/zinc/08/57/86/323085786.db2.gz LXBOHPKJXFVHTB-PSASIEDQSA-N 1 2 207.277 1.683 20 0 BDADLO Cc1cncc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000570984111 323102662 /nfs/dbraw/zinc/10/26/62/323102662.db2.gz SAXSEZJFVIZSGV-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO Cc1nnsc1C[NH+]1CCSCC1 ZINC000571025790 323103826 /nfs/dbraw/zinc/10/38/26/323103826.db2.gz UQQDKOFCLAOLFW-UHFFFAOYSA-N 1 2 215.347 1.395 20 0 BDADLO Cc1cc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)no1 ZINC000563285471 323108508 /nfs/dbraw/zinc/10/85/08/323108508.db2.gz RXOTZQZADDXDSY-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO Cc1nc(N(C)C)nc(NCCCC2CC2)[nH+]1 ZINC000531758315 323113038 /nfs/dbraw/zinc/11/30/38/323113038.db2.gz PPAPKWAIDPXKJS-UHFFFAOYSA-N 1 2 235.335 1.270 20 0 BDADLO Cc1nc(NCCCC2CC2)nc(N(C)C)[nH+]1 ZINC000531758315 323113039 /nfs/dbraw/zinc/11/30/39/323113039.db2.gz PPAPKWAIDPXKJS-UHFFFAOYSA-N 1 2 235.335 1.270 20 0 BDADLO Cc1cc(NC(=O)N(C)C2CCOCC2)cc[nH+]1 ZINC000534325952 323116700 /nfs/dbraw/zinc/11/67/00/323116700.db2.gz DUMLCKCUXVIBQV-UHFFFAOYSA-N 1 2 249.314 1.455 20 0 BDADLO Cc1cc(NC(=O)NCc2ncc[nH]2)c(C)c[nH+]1 ZINC000534347576 323117454 /nfs/dbraw/zinc/11/74/54/323117454.db2.gz IIWZFZXCSGLRHR-UHFFFAOYSA-N 1 2 245.286 1.165 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1(C2CC2)CC1 ZINC000531867517 323118601 /nfs/dbraw/zinc/11/86/01/323118601.db2.gz WMOOQKCVLDDPPN-UHFFFAOYSA-N 1 2 219.288 1.332 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@H]1CCC[C@H]1O ZINC000563424653 323126024 /nfs/dbraw/zinc/12/60/24/323126024.db2.gz DTBDIDRMEYVEEL-VXGBXAGGSA-N 1 2 235.331 1.691 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nsc(N(C)C)n2)[C@H]1C ZINC000246119033 323127546 /nfs/dbraw/zinc/12/75/46/323127546.db2.gz OWODHMLXHACXDR-BDAKNGLRSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)[C@H]1C ZINC000246119033 323127547 /nfs/dbraw/zinc/12/75/47/323127547.db2.gz OWODHMLXHACXDR-BDAKNGLRSA-N 1 2 240.376 1.834 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCn1cccn1 ZINC000571573865 323148162 /nfs/dbraw/zinc/14/81/62/323148162.db2.gz BWNLIGNWZHFUCY-UHFFFAOYSA-N 1 2 231.303 1.214 20 0 BDADLO CS[C@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000534514330 323153050 /nfs/dbraw/zinc/15/30/50/323153050.db2.gz CMFMUPOAQNOOCB-SECBINFHSA-N 1 2 239.344 1.408 20 0 BDADLO CO[C@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000049115420 323157848 /nfs/dbraw/zinc/15/78/48/323157848.db2.gz YPPZWXCXKFCQGL-SNVBAGLBSA-N 1 2 245.282 1.846 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCn3c[nH+]cc3C2)[C@H]1C1CC1 ZINC000529403316 323175130 /nfs/dbraw/zinc/17/51/30/323175130.db2.gz NLNIGUWGJYTKKH-ZWKOPEQDSA-N 1 2 245.326 1.517 20 0 BDADLO C[C@@H](CC(=O)N1CC2(C1)CCOC2)n1cc[nH+]c1 ZINC000563720346 323175572 /nfs/dbraw/zinc/17/55/72/323175572.db2.gz BNNRLXGMBFHUCJ-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2cnnn2C)o1 ZINC000563818674 323179046 /nfs/dbraw/zinc/17/90/46/323179046.db2.gz RTVMBMUKGOAGMP-UHFFFAOYSA-N 1 2 249.318 1.354 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ncn(C)n1 ZINC000391982155 323183849 /nfs/dbraw/zinc/18/38/49/323183849.db2.gz OXDBSWWKSNERSR-JTQLQIEISA-N 1 2 246.314 1.158 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCO2)c(C)c[nH+]1 ZINC000535748542 323190303 /nfs/dbraw/zinc/19/03/03/323190303.db2.gz YHSHKTOQZATZIR-NSHDSACASA-N 1 2 220.272 1.238 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCS2)c(C)c[nH+]1 ZINC000535748728 323190396 /nfs/dbraw/zinc/19/03/96/323190396.db2.gz YFVLBFIUXSIQQS-LLVKDONJSA-N 1 2 236.340 1.954 20 0 BDADLO Cc1cc(NC(=O)NCC2(O)CCC2)c(C)c[nH+]1 ZINC000536619508 323198921 /nfs/dbraw/zinc/19/89/21/323198921.db2.gz MBFANCKVQRJIJD-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cc[nH]n2)c(C)n1 ZINC000532231301 323210345 /nfs/dbraw/zinc/21/03/45/323210345.db2.gz KISSUPIWTUVPLT-QMMMGPOBSA-N 1 2 231.303 1.667 20 0 BDADLO COc1ccc[nH+]c1NCC(C)(C)C(N)=O ZINC000230399949 323214410 /nfs/dbraw/zinc/21/44/10/323214410.db2.gz LSUWKBVDPWJSED-UHFFFAOYSA-N 1 2 223.276 1.014 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc[nH+]c(C3CC3)n2)o1 ZINC000532883546 323311814 /nfs/dbraw/zinc/31/18/14/323311814.db2.gz FMLGIJAUEOZNIX-SSDOTTSWSA-N 1 2 245.286 1.640 20 0 BDADLO O=c1cc(C[NH+]2C3CCC2CC3)nc2cc[nH]n21 ZINC000532916414 323390427 /nfs/dbraw/zinc/39/04/27/323390427.db2.gz RFLHPDHJPBCPEO-UHFFFAOYSA-N 1 2 244.298 1.149 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000564100519 323428634 /nfs/dbraw/zinc/42/86/34/323428634.db2.gz UQVWTYXTTZQVPX-WDEREUQCSA-N 1 2 248.330 1.549 20 0 BDADLO CC[C@@H](C)OCC(=O)Nc1cc[nH+]cc1O ZINC000162207931 323598809 /nfs/dbraw/zinc/59/88/09/323598809.db2.gz DDVNNCJROCWZQU-MRVPVSSYSA-N 1 2 224.260 1.541 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@@H]1CCC[C@H]1O ZINC000527938933 323721108 /nfs/dbraw/zinc/72/11/08/323721108.db2.gz KKSHSDULTPMCDW-WDEREUQCSA-N 1 2 236.315 1.687 20 0 BDADLO CC[C@@H](NCc1cnn(CC)n1)c1[nH+]ccn1C ZINC000527925745 323731683 /nfs/dbraw/zinc/73/16/83/323731683.db2.gz WNKNHYOXKJWPTL-LLVKDONJSA-N 1 2 248.334 1.272 20 0 BDADLO Cc1nc(NCC[C@H]2CCCOC2)cc[nH+]1 ZINC000528073809 323759643 /nfs/dbraw/zinc/75/96/43/323759643.db2.gz NGOCVRXAGDARSC-LLVKDONJSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H](NC(=O)NC1(C)CC=CC1)c1[nH+]ccn1C ZINC000667246850 487960962 /nfs/dbraw/zinc/96/09/62/487960962.db2.gz SBCBHGUFEDATPP-SNVBAGLBSA-N 1 2 248.330 1.889 20 0 BDADLO CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056516531 323907781 /nfs/dbraw/zinc/90/77/81/323907781.db2.gz XELLOMKBAQZYAC-UHFFFAOYSA-N 1 2 244.298 1.644 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccc(F)cn2)[nH]1 ZINC000529584876 324352948 /nfs/dbraw/zinc/35/29/48/324352948.db2.gz YKJRNCGMRTYGAV-UHFFFAOYSA-N 1 2 235.266 1.191 20 0 BDADLO CC(C)c1nnc(C[NH2+]Cc2ccc(F)cn2)[nH]1 ZINC000529588152 324353585 /nfs/dbraw/zinc/35/35/85/324353585.db2.gz KGWWWZBNCKRMNZ-UHFFFAOYSA-N 1 2 249.293 1.752 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccn(C)n1 ZINC000529604802 324362004 /nfs/dbraw/zinc/36/20/04/324362004.db2.gz NZIYQEDAHIMLFQ-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@H]1C)c1[nH+]ccn1C ZINC000667256901 487963443 /nfs/dbraw/zinc/96/34/43/487963443.db2.gz WTDADTNKXUKQOX-RKDXNWHRSA-N 1 2 222.292 1.285 20 0 BDADLO Cc1ccc(F)cc1C(=O)NCCn1cc[nH+]c1 ZINC000068741813 324896531 /nfs/dbraw/zinc/89/65/31/324896531.db2.gz BWWZRFFFWAYRKR-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO COCC[N@H+](CCO)Cc1nc2ccccc2[nH]1 ZINC000130893940 325100369 /nfs/dbraw/zinc/10/03/69/325100369.db2.gz GFDBTTHAAIJULM-UHFFFAOYSA-N 1 2 249.314 1.004 20 0 BDADLO COCC[N@@H+](CCO)Cc1nc2ccccc2[nH]1 ZINC000130893940 325100371 /nfs/dbraw/zinc/10/03/71/325100371.db2.gz GFDBTTHAAIJULM-UHFFFAOYSA-N 1 2 249.314 1.004 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000131136388 325121081 /nfs/dbraw/zinc/12/10/81/325121081.db2.gz YBDCTLPBRFNCLS-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000131136388 325121084 /nfs/dbraw/zinc/12/10/84/325121084.db2.gz YBDCTLPBRFNCLS-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)(C)c1nc(=NCC[NH+]2CCCC2)[nH]o1 ZINC000544676383 325154004 /nfs/dbraw/zinc/15/40/04/325154004.db2.gz LVYPFZLBDVXIDI-UHFFFAOYSA-N 1 2 238.335 1.297 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C[C@H]2C=CCC2)n1 ZINC000545137201 325179815 /nfs/dbraw/zinc/17/98/15/325179815.db2.gz BNCCKLOVYZQELO-JTQLQIEISA-N 1 2 244.298 1.903 20 0 BDADLO Oc1cccnc1C[NH+]1CCN(C2CC2)CC1 ZINC000564293367 325232472 /nfs/dbraw/zinc/23/24/72/325232472.db2.gz IIPFGMFLUJLTMY-UHFFFAOYSA-N 1 2 233.315 1.067 20 0 BDADLO COC[C@@H](CNc1[nH+]cccc1OC)OC ZINC000234797802 325233424 /nfs/dbraw/zinc/23/34/24/325233424.db2.gz LEHDUBGTULTDGE-SECBINFHSA-N 1 2 226.276 1.164 20 0 BDADLO CC(=O)N1CCC[N@H+](Cc2ncc(C)o2)CC1 ZINC000075587329 325301296 /nfs/dbraw/zinc/30/12/96/325301296.db2.gz GXBDQEYFFMNHIL-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CC(=O)N1CCC[N@@H+](Cc2ncc(C)o2)CC1 ZINC000075587329 325301298 /nfs/dbraw/zinc/30/12/98/325301298.db2.gz GXBDQEYFFMNHIL-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134019063 325338299 /nfs/dbraw/zinc/33/82/99/325338299.db2.gz ISOARUGATWXMRL-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134019063 325338301 /nfs/dbraw/zinc/33/83/01/325338301.db2.gz ISOARUGATWXMRL-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134034080 325338837 /nfs/dbraw/zinc/33/88/37/325338837.db2.gz XUCLHBCVDJGJKC-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134034080 325338839 /nfs/dbraw/zinc/33/88/39/325338839.db2.gz XUCLHBCVDJGJKC-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CCC[C@H]([NH2+]CCOC(C)C)C(=O)OCC ZINC000134131000 325345427 /nfs/dbraw/zinc/34/54/27/325345427.db2.gz TWZRVEGNDNKRIS-NSHDSACASA-N 1 2 231.336 1.733 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1cc[nH]n1 ZINC000547333710 325343416 /nfs/dbraw/zinc/34/34/16/325343416.db2.gz MQXOOJLTGYSTRH-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)c(C)c1 ZINC000134496152 325361637 /nfs/dbraw/zinc/36/16/37/325361637.db2.gz KSENOYDVGHWOJO-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)C(C)(C)C ZINC000547483494 325361820 /nfs/dbraw/zinc/36/18/20/325361820.db2.gz QQQHVIMXQODNPQ-SNVBAGLBSA-N 1 2 237.347 1.761 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000078892312 325434639 /nfs/dbraw/zinc/43/46/39/325434639.db2.gz QDLHYEZBRBISPP-WDEREUQCSA-N 1 2 220.272 1.754 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC2(CC(F)C2)C1 ZINC000677108149 487968962 /nfs/dbraw/zinc/96/89/62/487968962.db2.gz WQJLZBOOVRBBEN-UHFFFAOYSA-N 1 2 237.278 1.234 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000552857617 325668038 /nfs/dbraw/zinc/66/80/38/325668038.db2.gz WVDIVOLGQFAUKF-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCc1ccsc1 ZINC000554498712 325722477 /nfs/dbraw/zinc/72/24/77/325722477.db2.gz HFGXKYYCDMSSNN-UHFFFAOYSA-N 1 2 249.339 1.383 20 0 BDADLO Cn1nnc2cc(C[NH2+]CC(C)(F)F)ccc21 ZINC000555609706 325764617 /nfs/dbraw/zinc/76/46/17/325764617.db2.gz OKRIIKMYYPMKGJ-UHFFFAOYSA-N 1 2 240.257 1.713 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3nn(C)cc32)no1 ZINC000564782434 325809000 /nfs/dbraw/zinc/80/90/00/325809000.db2.gz YGOCSRSZPHVRQY-LBPRGKRZSA-N 1 2 246.314 1.884 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1=CCCC1 ZINC000677114364 487970656 /nfs/dbraw/zinc/97/06/56/487970656.db2.gz JCJKDDVSIDDVMH-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO CCOC[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000565227978 325881183 /nfs/dbraw/zinc/88/11/83/325881183.db2.gz CLVTUQMZOOXPIA-GFCCVEGCSA-N 1 2 235.331 1.956 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682498243 487971144 /nfs/dbraw/zinc/97/11/44/487971144.db2.gz CXRNHQXIZHWCDF-GHMZBOCLSA-N 1 2 247.342 1.608 20 0 BDADLO CCC[C@@](C)([NH3+])C(=O)N=c1[nH][nH]c(CC)c1C ZINC000566179778 326008057 /nfs/dbraw/zinc/00/80/57/326008057.db2.gz QCFMBERDGRAYEV-GFCCVEGCSA-N 1 2 238.335 1.158 20 0 BDADLO C[C@H](CC(=O)N1CCn2nccc21)n1cc[nH+]c1 ZINC000566308305 326032111 /nfs/dbraw/zinc/03/21/11/326032111.db2.gz GWPBZYMYNBVNLT-SNVBAGLBSA-N 1 2 245.286 1.078 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CCCC1 ZINC000566430867 326046261 /nfs/dbraw/zinc/04/62/61/326046261.db2.gz KHVZQKFMWHXTCF-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CCCC1 ZINC000566430867 326046263 /nfs/dbraw/zinc/04/62/63/326046263.db2.gz KHVZQKFMWHXTCF-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000566447171 326049314 /nfs/dbraw/zinc/04/93/14/326049314.db2.gz RQGVXDPMMGZXBB-ZYHUDNBSSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000566447171 326049316 /nfs/dbraw/zinc/04/93/16/326049316.db2.gz RQGVXDPMMGZXBB-ZYHUDNBSSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1noc(C2CN(c3nc(C)[nH+]cc3C)C2)n1 ZINC000566485623 326057065 /nfs/dbraw/zinc/05/70/65/326057065.db2.gz OVNYFWVERXWIRO-UHFFFAOYSA-N 1 2 245.286 1.389 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@]1(O)CCCC1(C)C ZINC000566572288 326065816 /nfs/dbraw/zinc/06/58/16/326065816.db2.gz QPSWLVAFCRAXQR-AWEZNQCLSA-N 1 2 249.358 1.868 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC000566594944 326067062 /nfs/dbraw/zinc/06/70/62/326067062.db2.gz VPXXOPFOACSZGF-SSDOTTSWSA-N 1 2 235.209 1.340 20 0 BDADLO CCn1ccnc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000566805867 326084991 /nfs/dbraw/zinc/08/49/91/326084991.db2.gz LJWNIQPUQSMPLW-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO CCn1ccnc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000566805867 326084993 /nfs/dbraw/zinc/08/49/93/326084993.db2.gz LJWNIQPUQSMPLW-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO c1[nH]nc2cc(C[NH+]3CCOCC3)ccc12 ZINC000154538153 326149297 /nfs/dbraw/zinc/14/92/97/326149297.db2.gz MABVBSJNDHZRNR-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCc2n[nH]cc2C1 ZINC000567249927 326150405 /nfs/dbraw/zinc/15/04/05/326150405.db2.gz ZGNHBDCAUSGWIZ-NSHDSACASA-N 1 2 243.314 1.786 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CO1 ZINC000567355602 326173101 /nfs/dbraw/zinc/17/31/01/326173101.db2.gz IEAKBNRMGYKOSA-BBBLOLIVSA-N 1 2 249.314 1.123 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CO1 ZINC000567355602 326173104 /nfs/dbraw/zinc/17/31/04/326173104.db2.gz IEAKBNRMGYKOSA-BBBLOLIVSA-N 1 2 249.314 1.123 20 0 BDADLO COc1cc[nH+]c(CN(C)CC(F)F)c1 ZINC000154964550 326176222 /nfs/dbraw/zinc/17/62/22/326176222.db2.gz ZIFRLTOZEWHNTA-UHFFFAOYSA-N 1 2 216.231 1.787 20 0 BDADLO C[C@@H](NC(=O)C1(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000155572491 326201309 /nfs/dbraw/zinc/20/13/09/326201309.db2.gz FDVPRHQUBQPXSA-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO CNC(=O)CCSCc1c[nH+]ccc1OC ZINC000568014874 326296377 /nfs/dbraw/zinc/29/63/77/326296377.db2.gz QVTQPZGXYTZIHI-UHFFFAOYSA-N 1 2 240.328 1.460 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568185052 326322532 /nfs/dbraw/zinc/32/25/32/326322532.db2.gz RMPZXSBXYCSXPA-DTWKUNHWSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568185052 326322534 /nfs/dbraw/zinc/32/25/34/326322534.db2.gz RMPZXSBXYCSXPA-DTWKUNHWSA-N 1 2 209.293 1.503 20 0 BDADLO Cc1ncc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000568190695 326324133 /nfs/dbraw/zinc/32/41/33/326324133.db2.gz MASGSNIPWRTZLZ-MRVPVSSYSA-N 1 2 245.286 1.325 20 0 BDADLO Cc1ncc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000568190695 326324135 /nfs/dbraw/zinc/32/41/35/326324135.db2.gz MASGSNIPWRTZLZ-MRVPVSSYSA-N 1 2 245.286 1.325 20 0 BDADLO Cc1ncccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568200911 326325388 /nfs/dbraw/zinc/32/53/88/326325388.db2.gz CNKNZTPVGYNJAV-VIFPVBQESA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ncccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568200911 326325390 /nfs/dbraw/zinc/32/53/90/326325390.db2.gz CNKNZTPVGYNJAV-VIFPVBQESA-N 1 2 244.298 1.930 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H]1C[C@@H](O)C1 ZINC000568248312 326334254 /nfs/dbraw/zinc/33/42/54/326334254.db2.gz MUDAJUFGWRXZDR-AOOOYVTPSA-N 1 2 249.314 1.028 20 0 BDADLO C[C@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000568255553 326335967 /nfs/dbraw/zinc/33/59/67/326335967.db2.gz MZEAEWDTXKJSPG-JTQLQIEISA-N 1 2 217.272 1.665 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)C1CCC1 ZINC000315705159 326337593 /nfs/dbraw/zinc/33/75/93/326337593.db2.gz PNZHIGBMPBUETB-JTQLQIEISA-N 1 2 222.288 1.663 20 0 BDADLO Cn1c[nH+]cc1[C@H]1NC(=O)c2ccccc2N1C ZINC000158998560 326347579 /nfs/dbraw/zinc/34/75/79/326347579.db2.gz BILGWEAODKNXOE-LBPRGKRZSA-N 1 2 242.282 1.299 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2ncc(C)cn2)no1 ZINC000568525512 326362984 /nfs/dbraw/zinc/36/29/84/326362984.db2.gz SKDJCGVZXHWGHP-UHFFFAOYSA-N 1 2 247.302 1.151 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2ncc(C)cn2)no1 ZINC000568525512 326362986 /nfs/dbraw/zinc/36/29/86/326362986.db2.gz SKDJCGVZXHWGHP-UHFFFAOYSA-N 1 2 247.302 1.151 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](CC2CC2)C1 ZINC000568531628 326364055 /nfs/dbraw/zinc/36/40/55/326364055.db2.gz IRLQXSRUUNXZKI-SNVBAGLBSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](CC2CC2)C1 ZINC000568531628 326364056 /nfs/dbraw/zinc/36/40/56/326364056.db2.gz IRLQXSRUUNXZKI-SNVBAGLBSA-N 1 2 248.330 1.694 20 0 BDADLO CCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000568664105 326369401 /nfs/dbraw/zinc/36/94/01/326369401.db2.gz IYWZBSJQFBHCEN-YUMQZZPRSA-N 1 2 208.265 1.208 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+](Cc1cc[nH+]c(N)c1)C1CCC1 ZINC000568663564 326371869 /nfs/dbraw/zinc/37/18/69/326371869.db2.gz ANNIFFGRVWTWEA-SECBINFHSA-N 1 2 249.314 1.322 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+](Cc1cc[nH+]c(N)c1)C1CCC1 ZINC000568663564 326371871 /nfs/dbraw/zinc/37/18/71/326371871.db2.gz ANNIFFGRVWTWEA-SECBINFHSA-N 1 2 249.314 1.322 20 0 BDADLO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000568857964 326379726 /nfs/dbraw/zinc/37/97/26/326379726.db2.gz XHDYCPNIGHBZGI-BXUZGUMPSA-N 1 2 245.326 1.664 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000569061791 326388148 /nfs/dbraw/zinc/38/81/48/326388148.db2.gz VUMOVZQEDRPQSD-UWVGGRQHSA-N 1 2 225.292 1.368 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000569061791 326388150 /nfs/dbraw/zinc/38/81/50/326388150.db2.gz VUMOVZQEDRPQSD-UWVGGRQHSA-N 1 2 225.292 1.368 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000569061790 326388191 /nfs/dbraw/zinc/38/81/91/326388191.db2.gz VUMOVZQEDRPQSD-NXEZZACHSA-N 1 2 225.292 1.368 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000569061790 326388192 /nfs/dbraw/zinc/38/81/92/326388192.db2.gz VUMOVZQEDRPQSD-NXEZZACHSA-N 1 2 225.292 1.368 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC000569108084 326390749 /nfs/dbraw/zinc/39/07/49/326390749.db2.gz JLFQOVUKUWKWEQ-QWRGUYRKSA-N 1 2 233.315 1.751 20 0 BDADLO Cc1nnsc1C[N@H+]1CCSC[C@@H]1C ZINC000569227973 326396340 /nfs/dbraw/zinc/39/63/40/326396340.db2.gz YNWNHIAVVDHPQQ-ZETCQYMHSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCSC[C@@H]1C ZINC000569227973 326396341 /nfs/dbraw/zinc/39/63/41/326396341.db2.gz YNWNHIAVVDHPQQ-ZETCQYMHSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)o1 ZINC000572848340 326414762 /nfs/dbraw/zinc/41/47/62/326414762.db2.gz GECKDSPPGTUXMG-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO C[C@@H]([NH2+]Cc1cnns1)c1cscn1 ZINC000400222200 487972929 /nfs/dbraw/zinc/97/29/29/487972929.db2.gz IBWJJYNGUCFBCJ-ZCFIWIBFSA-N 1 2 226.330 1.845 20 0 BDADLO CC(C)C1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000677126305 487977477 /nfs/dbraw/zinc/97/74/77/487977477.db2.gz XGOKCYXYXPTNPQ-UHFFFAOYSA-N 1 2 231.303 1.456 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1=CCCC1 ZINC000672147682 487978412 /nfs/dbraw/zinc/97/84/12/487978412.db2.gz UDWYAAKCYJMODA-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO CC(C)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544421 487983546 /nfs/dbraw/zinc/98/35/46/487983546.db2.gz RJLZSWOFDYKILE-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544421 487983550 /nfs/dbraw/zinc/98/35/50/487983550.db2.gz RJLZSWOFDYKILE-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO COCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547612 487986681 /nfs/dbraw/zinc/98/66/81/487986681.db2.gz RWFJDIKNDTVDGU-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO COCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547612 487986687 /nfs/dbraw/zinc/98/66/87/487986687.db2.gz RWFJDIKNDTVDGU-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CC[C@@H]1CCCN(c2nc[nH+]c(N)c2OC)C1 ZINC000134830151 488000427 /nfs/dbraw/zinc/00/04/27/488000427.db2.gz ICIGETUFIXKRCH-SECBINFHSA-N 1 2 236.319 1.694 20 0 BDADLO CC[C@@H]1CCCN(c2[nH+]cnc(N)c2OC)C1 ZINC000134830151 488000433 /nfs/dbraw/zinc/00/04/33/488000433.db2.gz ICIGETUFIXKRCH-SECBINFHSA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@]1(C)CCCO1 ZINC000134921721 488006098 /nfs/dbraw/zinc/00/60/98/488006098.db2.gz FGJYBUKVTWXUCY-LLVKDONJSA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@]1(C)CCCO1 ZINC000134921721 488006105 /nfs/dbraw/zinc/00/61/05/488006105.db2.gz FGJYBUKVTWXUCY-LLVKDONJSA-N 1 2 238.291 1.048 20 0 BDADLO c1csc(CNCc2c[nH+]c3n2CCCC3)n1 ZINC000671194986 488006484 /nfs/dbraw/zinc/00/64/84/488006484.db2.gz LFUUKGSQPPRABQ-UHFFFAOYSA-N 1 2 248.355 1.966 20 0 BDADLO Cc1cc(C[NH+]2CCN(C)CC2)sn1 ZINC000682672161 488009353 /nfs/dbraw/zinc/00/93/53/488009353.db2.gz RLUGQXATZZLHQJ-UHFFFAOYSA-N 1 2 211.334 1.199 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000159247031 488014864 /nfs/dbraw/zinc/01/48/64/488014864.db2.gz WEVPNHMYLYGSIL-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000159247031 488014867 /nfs/dbraw/zinc/01/48/67/488014867.db2.gz WEVPNHMYLYGSIL-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCC1 ZINC000677339391 488019072 /nfs/dbraw/zinc/01/90/72/488019072.db2.gz VQXLKBIVPBYHOD-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000668625760 488025528 /nfs/dbraw/zinc/02/55/28/488025528.db2.gz ZSCLDXLYLADWPG-ZJUUUORDSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000668625760 488025531 /nfs/dbraw/zinc/02/55/31/488025531.db2.gz ZSCLDXLYLADWPG-ZJUUUORDSA-N 1 2 223.320 1.717 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000667492781 488025258 /nfs/dbraw/zinc/02/52/58/488025258.db2.gz WBAVXFKJMDYAAG-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000667492781 488025261 /nfs/dbraw/zinc/02/52/61/488025261.db2.gz WBAVXFKJMDYAAG-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000159431574 488031099 /nfs/dbraw/zinc/03/10/99/488031099.db2.gz IPXQFGPQYIULSK-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000159431574 488031103 /nfs/dbraw/zinc/03/11/03/488031103.db2.gz IPXQFGPQYIULSK-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cn2cc[nH+]c2)nc1 ZINC000682816562 488045922 /nfs/dbraw/zinc/04/59/22/488045922.db2.gz QJODWEMYMOCURF-UHFFFAOYSA-N 1 2 244.298 1.245 20 0 BDADLO Cc1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000677506322 488056232 /nfs/dbraw/zinc/05/62/32/488056232.db2.gz RXLYCAAEJQRRIO-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1cnc(N2CC(n3cc[nH+]c3)C2)nc1 ZINC000677507260 488057390 /nfs/dbraw/zinc/05/73/90/488057390.db2.gz IRFFSNXDAGGLDS-UHFFFAOYSA-N 1 2 215.260 1.043 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000667639941 488066274 /nfs/dbraw/zinc/06/62/74/488066274.db2.gz GXZFKJMXTLOBQG-NEPJUHHUSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccnn1CC1CC1 ZINC000667639941 488066279 /nfs/dbraw/zinc/06/62/79/488066279.db2.gz GXZFKJMXTLOBQG-NEPJUHHUSA-N 1 2 249.358 1.902 20 0 BDADLO CC(C)N(C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081264 488067531 /nfs/dbraw/zinc/06/75/31/488067531.db2.gz BSAZJKWYVYYWGV-UHFFFAOYSA-N 1 2 236.319 1.442 20 0 BDADLO O=C([C@H](O)C1CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000667653254 488075378 /nfs/dbraw/zinc/07/53/78/488075378.db2.gz WGFUUAMKLZNTIE-WDEREUQCSA-N 1 2 249.314 1.234 20 0 BDADLO C[N@H+](CCc1ccccc1O)Cc1csnn1 ZINC000346356696 488076266 /nfs/dbraw/zinc/07/62/66/488076266.db2.gz DRSUGYNSMRSBHS-UHFFFAOYSA-N 1 2 249.339 1.918 20 0 BDADLO C[N@@H+](CCc1ccccc1O)Cc1csnn1 ZINC000346356696 488076269 /nfs/dbraw/zinc/07/62/69/488076269.db2.gz DRSUGYNSMRSBHS-UHFFFAOYSA-N 1 2 249.339 1.918 20 0 BDADLO CN1C[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)CC1=O ZINC000674063743 488093202 /nfs/dbraw/zinc/09/32/02/488093202.db2.gz DURMHOXQOZFRBV-VIFPVBQESA-N 1 2 248.330 1.417 20 0 BDADLO OC[C@H]1C=C[C@@H]([NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000675763673 488107064 /nfs/dbraw/zinc/10/70/64/488107064.db2.gz RAQHBLIJGOBWQH-WDEREUQCSA-N 1 2 243.310 1.590 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683110075 488111474 /nfs/dbraw/zinc/11/14/74/488111474.db2.gz XSGUZHHVIYPCKN-VGMNWLOBSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683110075 488111479 /nfs/dbraw/zinc/11/14/79/488111479.db2.gz XSGUZHHVIYPCKN-VGMNWLOBSA-N 1 2 205.248 1.344 20 0 BDADLO CCN(CC)C(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734652 488112725 /nfs/dbraw/zinc/11/27/25/488112725.db2.gz WQVJRKQWEKFNPA-UHFFFAOYSA-N 1 2 246.301 1.586 20 0 BDADLO CN(C(=O)C[NH+]1CC2(C1)CC(F)(F)C2)C1CC1 ZINC000677734025 488113140 /nfs/dbraw/zinc/11/31/40/488113140.db2.gz RJNIUTOLDMPBLF-UHFFFAOYSA-N 1 2 244.285 1.338 20 0 BDADLO c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[nH]n1 ZINC000667773047 488116604 /nfs/dbraw/zinc/11/66/04/488116604.db2.gz ARRFAUILTKNJEW-WDEREUQCSA-N 1 2 207.277 1.067 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1CC2(CC2)C1 ZINC000668688756 488117203 /nfs/dbraw/zinc/11/72/03/488117203.db2.gz PWWJWHLRKUUELL-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO O=C(C[NH+]1CC2(C1)CC(F)(F)C2)N1CCCC1 ZINC000677738871 488117014 /nfs/dbraw/zinc/11/70/14/488117014.db2.gz NETJMYVTDDJTSH-UHFFFAOYSA-N 1 2 244.285 1.340 20 0 BDADLO Cc1cc(N2CCOC[C@H]2c2ccco2)nc[nH+]1 ZINC000674068709 488118834 /nfs/dbraw/zinc/11/88/34/488118834.db2.gz OBUPNQXQGURIRH-NSHDSACASA-N 1 2 245.282 1.956 20 0 BDADLO CC[N@H+](Cc1ccoc1)Cc1cn(C)nn1 ZINC000677764138 488120281 /nfs/dbraw/zinc/12/02/81/488120281.db2.gz NNNBVHVIRBKFCW-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO CC[N@@H+](Cc1ccoc1)Cc1cn(C)nn1 ZINC000677764138 488120286 /nfs/dbraw/zinc/12/02/86/488120286.db2.gz NNNBVHVIRBKFCW-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1(O)CCCC1 ZINC000670379163 488122668 /nfs/dbraw/zinc/12/26/68/488122668.db2.gz GJRJFUMULIBFOA-UHFFFAOYSA-N 1 2 245.282 1.578 20 0 BDADLO CO[C@H]1CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000234851044 488131704 /nfs/dbraw/zinc/13/17/04/488131704.db2.gz OWPFYGHXKPQZEC-JTQLQIEISA-N 1 2 237.274 1.729 20 0 BDADLO CO[C@H]1CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000234851044 488131707 /nfs/dbraw/zinc/13/17/07/488131707.db2.gz OWPFYGHXKPQZEC-JTQLQIEISA-N 1 2 237.274 1.729 20 0 BDADLO c1csc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000683223704 488133886 /nfs/dbraw/zinc/13/38/86/488133886.db2.gz RAKVZLFLLBYQTI-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO c1csc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000683223704 488133890 /nfs/dbraw/zinc/13/38/90/488133890.db2.gz RAKVZLFLLBYQTI-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO CCOCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000670475418 487538032 /nfs/dbraw/zinc/53/80/32/487538032.db2.gz ULHJVJMHBZJFFQ-UHFFFAOYSA-N 1 2 239.319 1.182 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCCC1CC1 ZINC000526006001 487539177 /nfs/dbraw/zinc/53/91/77/487539177.db2.gz XEKGSFHZAKTEQE-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCCC1CC1 ZINC000526006001 487539180 /nfs/dbraw/zinc/53/91/80/487539180.db2.gz XEKGSFHZAKTEQE-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C12CCC(CC1)C2 ZINC000680200495 487546193 /nfs/dbraw/zinc/54/61/93/487546193.db2.gz JFJYNENHYVEISW-UHFFFAOYSA-N 1 2 219.288 1.606 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C12CCC(CC1)C2 ZINC000680200495 487546197 /nfs/dbraw/zinc/54/61/97/487546197.db2.gz JFJYNENHYVEISW-UHFFFAOYSA-N 1 2 219.288 1.606 20 0 BDADLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)C(=O)N(C)C ZINC000674238329 487530283 /nfs/dbraw/zinc/53/02/83/487530283.db2.gz XCMSPUGZQVMMKI-SECBINFHSA-N 1 2 246.314 1.129 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000685566922 487548918 /nfs/dbraw/zinc/54/89/18/487548918.db2.gz QTSQUYDTMNNMGO-NXEZZACHSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000685566922 487548925 /nfs/dbraw/zinc/54/89/25/487548925.db2.gz QTSQUYDTMNNMGO-NXEZZACHSA-N 1 2 224.304 1.901 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cnn(C)c2)c1 ZINC000680257644 487553284 /nfs/dbraw/zinc/55/32/84/487553284.db2.gz WAXSXOQAPLAROS-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cc[nH]c2)c1 ZINC000680253266 487553367 /nfs/dbraw/zinc/55/33/67/487553367.db2.gz BTABQQMXVSLRIM-UHFFFAOYSA-N 1 2 230.271 1.728 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cocn2)c1 ZINC000680254489 487553418 /nfs/dbraw/zinc/55/34/18/487553418.db2.gz XRMPOOKVJCBDFW-UHFFFAOYSA-N 1 2 232.243 1.388 20 0 BDADLO c1csc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681605410 487473928 /nfs/dbraw/zinc/47/39/28/487473928.db2.gz ZMUIBKFCICFVFY-SECBINFHSA-N 1 2 235.316 1.182 20 0 BDADLO c1csc(C[N@H+]2CC[C@@H](n3cncn3)C2)n1 ZINC000681605410 487473936 /nfs/dbraw/zinc/47/39/36/487473936.db2.gz ZMUIBKFCICFVFY-SECBINFHSA-N 1 2 235.316 1.182 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC12CCC2 ZINC000676065894 487475225 /nfs/dbraw/zinc/47/52/25/487475225.db2.gz NHPHIGUBBKMCQN-LBPRGKRZSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)CC2 ZINC000679894455 487482834 /nfs/dbraw/zinc/48/28/34/487482834.db2.gz ADBUVLFMDXYDCU-VXGBXAGGSA-N 1 2 245.326 1.580 20 0 BDADLO CCc1cc(N2CCC[C@H](O)[C@@H]2C)nc(C)[nH+]1 ZINC000294977230 487479568 /nfs/dbraw/zinc/47/95/68/487479568.db2.gz LPLGILYRZUXUMU-CABZTGNLSA-N 1 2 235.331 1.697 20 0 BDADLO CO[C@H]1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000679934320 487496947 /nfs/dbraw/zinc/49/69/47/487496947.db2.gz SRPVIYSBFOJFJV-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC1 ZINC000674009292 487497912 /nfs/dbraw/zinc/49/79/12/487497912.db2.gz GLZUTFKMENCWDQ-CYBMUJFWSA-N 1 2 248.301 1.805 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)N1CCC1 ZINC000674009292 487497916 /nfs/dbraw/zinc/49/79/16/487497916.db2.gz GLZUTFKMENCWDQ-CYBMUJFWSA-N 1 2 248.301 1.805 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000679943803 487499710 /nfs/dbraw/zinc/49/97/10/487499710.db2.gz ZXEVUCHGBJHMGL-MRVPVSSYSA-N 1 2 233.275 1.065 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013107 487499963 /nfs/dbraw/zinc/49/99/63/487499963.db2.gz KMKMUYLQEBOCQD-VXGBXAGGSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013107 487499967 /nfs/dbraw/zinc/49/99/67/487499967.db2.gz KMKMUYLQEBOCQD-VXGBXAGGSA-N 1 2 236.290 1.836 20 0 BDADLO OC[C@@H]([NH2+]CC(F)F)c1ccccc1 ZINC000063003054 487506409 /nfs/dbraw/zinc/50/64/09/487506409.db2.gz KDKARJRBXPVVHT-SECBINFHSA-N 1 2 201.216 1.575 20 0 BDADLO COCC1(C)C[NH+](Cc2nccn2C(C)C)C1 ZINC000668233626 487506486 /nfs/dbraw/zinc/50/64/86/487506486.db2.gz GAGGEICCYLGTOW-UHFFFAOYSA-N 1 2 237.347 1.932 20 0 BDADLO COCC1(C)C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668233527 487505073 /nfs/dbraw/zinc/50/50/73/487505073.db2.gz BCUCVQPYXBHLRC-UHFFFAOYSA-N 1 2 235.331 1.298 20 0 BDADLO COCCC1(C)CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668233503 487505119 /nfs/dbraw/zinc/50/51/19/487505119.db2.gz ACNKOMHXBDWODV-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccon2)cn1 ZINC000086452689 487511270 /nfs/dbraw/zinc/51/12/70/487511270.db2.gz FXFURTQKNZDADS-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CC(C)n1cc(C[N@H+](CCCO)C2CC2)nn1 ZINC000685417949 487518322 /nfs/dbraw/zinc/51/83/22/487518322.db2.gz CLLYKTAZJFDXGJ-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1cc(C[N@@H+](CCCO)C2CC2)nn1 ZINC000685417949 487518327 /nfs/dbraw/zinc/51/83/27/487518327.db2.gz CLLYKTAZJFDXGJ-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC1=CCSC1 ZINC000668775808 487521772 /nfs/dbraw/zinc/52/17/72/487521772.db2.gz QLEXZWMYMFAFGJ-UHFFFAOYSA-N 1 2 223.345 1.823 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC1=CCSC1 ZINC000668775808 487521777 /nfs/dbraw/zinc/52/17/77/487521777.db2.gz QLEXZWMYMFAFGJ-UHFFFAOYSA-N 1 2 223.345 1.823 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@@H]2CCCO2)s1 ZINC000680044653 487526497 /nfs/dbraw/zinc/52/64/97/487526497.db2.gz AGOXTSLHVUSPAN-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCCO2)s1 ZINC000680044653 487526499 /nfs/dbraw/zinc/52/64/99/487526499.db2.gz AGOXTSLHVUSPAN-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO Cc1nc2[nH]ccc2c(N(CCCO)C2CC2)[nH+]1 ZINC000674747401 487610722 /nfs/dbraw/zinc/61/07/22/487610722.db2.gz UMPNBCOUKCZKRX-UHFFFAOYSA-N 1 2 246.314 1.618 20 0 BDADLO CN(C)c1ccc(CNc2cc[nH+]cc2F)cn1 ZINC000683070102 487611703 /nfs/dbraw/zinc/61/17/03/487611703.db2.gz WQLJPTFHAAZNFP-UHFFFAOYSA-N 1 2 246.289 1.716 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cccc(C)n1 ZINC000051924364 487672210 /nfs/dbraw/zinc/67/22/10/487672210.db2.gz XALTWFYHIPMRIX-UHFFFAOYSA-N 1 2 230.315 1.896 20 0 BDADLO c1cn(-c2cc(N3CCC[C@@H]4C[C@@H]43)ncn2)c[nH+]1 ZINC000672323613 487916062 /nfs/dbraw/zinc/91/60/62/487916062.db2.gz MTCWXCISNSIESF-MNOVXSKESA-N 1 2 241.298 1.651 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000676794222 487931399 /nfs/dbraw/zinc/93/13/99/487931399.db2.gz ARQFODDUIKFWNX-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000676794222 487931401 /nfs/dbraw/zinc/93/14/01/487931401.db2.gz ARQFODDUIKFWNX-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccc(O)cc1)CC2 ZINC000682406999 487950042 /nfs/dbraw/zinc/95/00/42/487950042.db2.gz LJQTVCXGBHABEZ-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO c1[nH]nc2c1CCN(Cc1c[nH+]c3n1CCC3)C2 ZINC000667661789 488078496 /nfs/dbraw/zinc/07/84/96/488078496.db2.gz STGAXHBFYNEFAU-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO Cc1cn2cc(NC(=O)[C@@H](O)C3CC3)ccc2[nH+]1 ZINC000667861202 488140768 /nfs/dbraw/zinc/14/07/68/488140768.db2.gz KCHKEUPZNWVHIG-LBPRGKRZSA-N 1 2 245.282 1.352 20 0 BDADLO CCc1cc(NCc2noc(C3CC3)n2)nc[nH+]1 ZINC000677882503 488146037 /nfs/dbraw/zinc/14/60/37/488146037.db2.gz ICPBLBMXKGUWQT-UHFFFAOYSA-N 1 2 245.286 1.912 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ccc(F)cn2)nn1 ZINC000404435977 488159386 /nfs/dbraw/zinc/15/93/86/488159386.db2.gz FXZWIONMFAFUEN-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ccncc2)nn1 ZINC000404447265 488160753 /nfs/dbraw/zinc/16/07/53/488160753.db2.gz KJBFUDNHPYIUJL-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO CCNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667948143 488165644 /nfs/dbraw/zinc/16/56/44/488165644.db2.gz PWGCRXJZOWADAK-UHFFFAOYSA-N 1 2 218.260 1.784 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000677956827 488165866 /nfs/dbraw/zinc/16/58/66/488165866.db2.gz DYGOZOFYTUEFRZ-ZJUUUORDSA-N 1 2 234.303 1.112 20 0 BDADLO Cc1cccn2c(NC(=O)NC[C@H](C)O)c[nH+]c12 ZINC000667947900 488166361 /nfs/dbraw/zinc/16/63/61/488166361.db2.gz FZGIGFDHMRSQLK-VIFPVBQESA-N 1 2 248.286 1.145 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1cccnc1 ZINC000681550366 488166615 /nfs/dbraw/zinc/16/66/15/488166615.db2.gz OUWWKPWNCIGYTQ-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nnc(C3CC3)o1)CC2 ZINC000683459409 488166902 /nfs/dbraw/zinc/16/69/02/488166902.db2.gz JJHBXEPLLYPWDE-UHFFFAOYSA-N 1 2 245.286 1.472 20 0 BDADLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1cnn(C)c1 ZINC000680418890 488174734 /nfs/dbraw/zinc/17/47/34/488174734.db2.gz NKJDVKHBOWXUOU-QMMMGPOBSA-N 1 2 247.302 1.531 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](C)CO)no1 ZINC000678044651 488179789 /nfs/dbraw/zinc/17/97/89/488179789.db2.gz WZGUUXSSZJGUIR-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](C)CO)no1 ZINC000678044651 488179793 /nfs/dbraw/zinc/17/97/93/488179793.db2.gz WZGUUXSSZJGUIR-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc(C[N@@H+]2CCC23CCOCC3)no1 ZINC000683525618 488187065 /nfs/dbraw/zinc/18/70/65/488187065.db2.gz XTEHEKWPTGICCB-UHFFFAOYSA-N 1 2 223.276 1.133 20 0 BDADLO Cc1nc(C[N@H+]2CCC23CCOCC3)no1 ZINC000683525618 488187068 /nfs/dbraw/zinc/18/70/68/488187068.db2.gz XTEHEKWPTGICCB-UHFFFAOYSA-N 1 2 223.276 1.133 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC23CC3)c[nH+]1 ZINC000668016334 488187209 /nfs/dbraw/zinc/18/72/09/488187209.db2.gz RHZQDEHYSZGVAJ-QMMMGPOBSA-N 1 2 205.261 1.248 20 0 BDADLO CCCn1nccc1C[NH2+][C@H](C)c1nc(C)no1 ZINC000668049952 488195188 /nfs/dbraw/zinc/19/51/88/488195188.db2.gz BGUOHKYBOULOKA-SECBINFHSA-N 1 2 249.318 1.835 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H](C)C2CC2)cc[nH+]1 ZINC000678095250 488196835 /nfs/dbraw/zinc/19/68/35/488196835.db2.gz AZDVQCRXNPPQPL-SECBINFHSA-N 1 2 233.315 1.980 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCCc3c2cnn3C)o1 ZINC000231639544 488218175 /nfs/dbraw/zinc/21/81/75/488218175.db2.gz MFIQNBICLVQRJZ-NSHDSACASA-N 1 2 246.314 1.884 20 0 BDADLO Cc1ccoc1CC(=O)NCc1[nH+]ccn1C ZINC000668193328 488220136 /nfs/dbraw/zinc/22/01/36/488220136.db2.gz AUBWDMIBOONHPQ-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)C[C@H](C)N1C ZINC000668195806 488220959 /nfs/dbraw/zinc/22/09/59/488220959.db2.gz WAWQCZKHIITLMY-TXEJJXNPSA-N 1 2 248.374 1.354 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3c2CCC3)C[C@H](C)N1C ZINC000668195806 488220962 /nfs/dbraw/zinc/22/09/62/488220962.db2.gz WAWQCZKHIITLMY-TXEJJXNPSA-N 1 2 248.374 1.354 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000683785057 488221345 /nfs/dbraw/zinc/22/13/45/488221345.db2.gz DXKPCCYAXMFAES-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000683785057 488221347 /nfs/dbraw/zinc/22/13/47/488221347.db2.gz DXKPCCYAXMFAES-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO Cc1[nH]ncc1C[N@H+](CCCO)C1CC1 ZINC000678263535 488229692 /nfs/dbraw/zinc/22/96/92/488229692.db2.gz KEWBGQYKEKMCPF-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](CCCO)C1CC1 ZINC000678263535 488229694 /nfs/dbraw/zinc/22/96/94/488229694.db2.gz KEWBGQYKEKMCPF-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000678268735 488231494 /nfs/dbraw/zinc/23/14/94/488231494.db2.gz XEMVFIFGMFQLCB-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000678268735 488231496 /nfs/dbraw/zinc/23/14/96/488231496.db2.gz XEMVFIFGMFQLCB-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000678276090 488235414 /nfs/dbraw/zinc/23/54/14/488235414.db2.gz VVLGJCZGRUQGLF-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1ccoc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000678276090 488235418 /nfs/dbraw/zinc/23/54/18/488235418.db2.gz VVLGJCZGRUQGLF-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000678276894 488235524 /nfs/dbraw/zinc/23/55/24/488235524.db2.gz BEPKJFFHQAIDDG-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000678276894 488235527 /nfs/dbraw/zinc/23/55/27/488235527.db2.gz BEPKJFFHQAIDDG-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOC(C)C ZINC000678293705 488237684 /nfs/dbraw/zinc/23/76/84/488237684.db2.gz HGHGBDVGXOXXKC-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOC(C)C ZINC000678293705 488237687 /nfs/dbraw/zinc/23/76/87/488237687.db2.gz HGHGBDVGXOXXKC-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO CC(C)c1noc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000683896465 488238835 /nfs/dbraw/zinc/23/88/35/488238835.db2.gz WVMVYFYNTBZDFM-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000683897346 488239553 /nfs/dbraw/zinc/23/95/53/488239553.db2.gz ZOIXFUOSZKKRNS-DTWKUNHWSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000683897346 488239554 /nfs/dbraw/zinc/23/95/54/488239554.db2.gz ZOIXFUOSZKKRNS-DTWKUNHWSA-N 1 2 224.304 1.901 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000678335060 488241775 /nfs/dbraw/zinc/24/17/75/488241775.db2.gz ZYKHCBXPJLWHFV-VIFPVBQESA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000678335060 488241780 /nfs/dbraw/zinc/24/17/80/488241780.db2.gz ZYKHCBXPJLWHFV-VIFPVBQESA-N 1 2 213.306 1.149 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149736 488241823 /nfs/dbraw/zinc/24/18/23/488241823.db2.gz WKXYXROHOOKFNL-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000672156666 488242454 /nfs/dbraw/zinc/24/24/54/488242454.db2.gz RMTQTNUZEBRMES-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO CCC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672156348 488242828 /nfs/dbraw/zinc/24/28/28/488242828.db2.gz KIIDNUHRAFKIAF-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CCn1ncnc1CNc1ccc(OC)c[nH+]1 ZINC000672272024 488249068 /nfs/dbraw/zinc/24/90/68/488249068.db2.gz WKERBIKUJYGGRK-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000672344168 488252502 /nfs/dbraw/zinc/25/25/02/488252502.db2.gz UGXNGTKFKLCCPQ-QWRGUYRKSA-N 1 2 221.304 1.578 20 0 BDADLO CC1(C)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000683993347 488253528 /nfs/dbraw/zinc/25/35/28/488253528.db2.gz FXIDXUNEDWLHNF-JTQLQIEISA-N 1 2 248.330 1.249 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1ncnn1C(C)C ZINC000683995450 488253940 /nfs/dbraw/zinc/25/39/40/488253940.db2.gz QGRUKGICPBPMKS-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000683995518 488254216 /nfs/dbraw/zinc/25/42/16/488254216.db2.gz UQKAHCIDYGNZKM-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1ncnn1C ZINC000678543349 488263754 /nfs/dbraw/zinc/26/37/54/488263754.db2.gz CQUNRUHIPOMVBA-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000678524933 488264234 /nfs/dbraw/zinc/26/42/34/488264234.db2.gz DMYYJXZBMLHCTQ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000678524933 488264237 /nfs/dbraw/zinc/26/42/37/488264237.db2.gz DMYYJXZBMLHCTQ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1occc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000672771969 488265720 /nfs/dbraw/zinc/26/57/20/488265720.db2.gz HEFQWYALMPUVEW-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CN(Cc1ccoc1)C(=O)Cc1c[nH+]cn1C ZINC000672770013 488265812 /nfs/dbraw/zinc/26/58/12/488265812.db2.gz FTKMYAYLGJETSZ-UHFFFAOYSA-N 1 2 233.271 1.214 20 0 BDADLO CCc1cc(NC(=O)CCc2[nH]cc[nH+]2)no1 ZINC000672917420 488268997 /nfs/dbraw/zinc/26/89/97/488268997.db2.gz BOLWVFMSXJJWBG-UHFFFAOYSA-N 1 2 234.259 1.531 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000672957246 488269851 /nfs/dbraw/zinc/26/98/51/488269851.db2.gz QTVHYPOWRHMIPK-SNVBAGLBSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOC[C@@H]2C)s1 ZINC000678627372 488272483 /nfs/dbraw/zinc/27/24/83/488272483.db2.gz IDJTYNLOAYPJIH-QMMMGPOBSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOC[C@@H]2C)s1 ZINC000678627372 488272485 /nfs/dbraw/zinc/27/24/85/488272485.db2.gz IDJTYNLOAYPJIH-QMMMGPOBSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOC[C@H]2C)s1 ZINC000678627369 488272575 /nfs/dbraw/zinc/27/25/75/488272575.db2.gz IDJTYNLOAYPJIH-MRVPVSSYSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOC[C@H]2C)s1 ZINC000678627369 488272577 /nfs/dbraw/zinc/27/25/77/488272577.db2.gz IDJTYNLOAYPJIH-MRVPVSSYSA-N 1 2 227.333 1.457 20 0 BDADLO FC1(F)CC[N@H+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201192 488275681 /nfs/dbraw/zinc/27/56/81/488275681.db2.gz OZHKLLJVOJVBIT-SECBINFHSA-N 1 2 242.273 1.266 20 0 BDADLO FC1(F)CC[N@@H+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201192 488275683 /nfs/dbraw/zinc/27/56/83/488275683.db2.gz OZHKLLJVOJVBIT-SECBINFHSA-N 1 2 242.273 1.266 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000673080785 488275713 /nfs/dbraw/zinc/27/57/13/488275713.db2.gz IJAQICWVQSRUSG-MWLCHTKSSA-N 1 2 248.330 1.707 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000673080785 488275714 /nfs/dbraw/zinc/27/57/14/488275714.db2.gz IJAQICWVQSRUSG-MWLCHTKSSA-N 1 2 248.330 1.707 20 0 BDADLO CC1(F)CN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000684230155 488280367 /nfs/dbraw/zinc/28/03/67/488280367.db2.gz GCVFSUJKOAWYHF-UHFFFAOYSA-N 1 2 248.261 1.910 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)C(F)F)cc[nH+]1 ZINC000684234098 488280591 /nfs/dbraw/zinc/28/05/91/488280591.db2.gz XPWCBDJSXKGJTI-UHFFFAOYSA-N 1 2 243.257 1.977 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1=CCCOC1 ZINC000673364945 488281578 /nfs/dbraw/zinc/28/15/78/488281578.db2.gz WHMJNFWMNXTYIP-UHFFFAOYSA-N 1 2 249.314 1.126 20 0 BDADLO CNC(=O)[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678787468 488283542 /nfs/dbraw/zinc/28/35/42/488283542.db2.gz PFVTYUXKCNWKJN-SECBINFHSA-N 1 2 237.278 1.183 20 0 BDADLO COc1coc(C[N@H+]2CC=CCC2)cc1=O ZINC000679322098 488335785 /nfs/dbraw/zinc/33/57/85/488335785.db2.gz BASCYYNQCALVOH-UHFFFAOYSA-N 1 2 221.256 1.410 20 0 BDADLO COc1coc(C[N@@H+]2CC=CCC2)cc1=O ZINC000679322098 488335788 /nfs/dbraw/zinc/33/57/88/488335788.db2.gz BASCYYNQCALVOH-UHFFFAOYSA-N 1 2 221.256 1.410 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CC=CCC2)n1 ZINC000679321452 488336091 /nfs/dbraw/zinc/33/60/91/488336091.db2.gz COULKIPXWPBYQC-SECBINFHSA-N 1 2 207.277 1.955 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CC=CCC2)n1 ZINC000679321452 488336093 /nfs/dbraw/zinc/33/60/93/488336093.db2.gz COULKIPXWPBYQC-SECBINFHSA-N 1 2 207.277 1.955 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc2nccn2c1 ZINC000673668021 488302548 /nfs/dbraw/zinc/30/25/48/488302548.db2.gz FLHIGPRJLSGEIS-UHFFFAOYSA-N 1 2 241.254 1.170 20 0 BDADLO Cc1cccn2cc(CCNC(=O)N(C)C)[nH+]c12 ZINC000673747769 488306674 /nfs/dbraw/zinc/30/66/74/488306674.db2.gz YEABPGVRHQDDLU-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO Cc1ncoc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673838524 488309132 /nfs/dbraw/zinc/30/91/32/488309132.db2.gz OUTWQUJKYHXFJR-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]1F ZINC000679218685 488318159 /nfs/dbraw/zinc/31/81/59/488318159.db2.gz BRKUMOQWOWUTIB-NXEZZACHSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1F ZINC000679218685 488318160 /nfs/dbraw/zinc/31/81/60/488318160.db2.gz BRKUMOQWOWUTIB-NXEZZACHSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C[C@@H]1F ZINC000679222376 488319742 /nfs/dbraw/zinc/31/97/42/488319742.db2.gz MIYUXWSDMSZZRQ-JQWIXIFHSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc(=O)c(O)co2)C[C@H]1F ZINC000679222806 488320376 /nfs/dbraw/zinc/32/03/76/488320376.db2.gz JLNNXLQQSOFBPW-PSASIEDQSA-N 1 2 241.262 1.525 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)C[C@H]1F ZINC000679222806 488320378 /nfs/dbraw/zinc/32/03/78/488320378.db2.gz JLNNXLQQSOFBPW-PSASIEDQSA-N 1 2 241.262 1.525 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1F ZINC000679223655 488320563 /nfs/dbraw/zinc/32/05/63/488320563.db2.gz MBQNCHZHKJNGAW-KOLCDFICSA-N 1 2 228.311 1.287 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1F ZINC000679223655 488320565 /nfs/dbraw/zinc/32/05/65/488320565.db2.gz MBQNCHZHKJNGAW-KOLCDFICSA-N 1 2 228.311 1.287 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1F ZINC000679252973 488325374 /nfs/dbraw/zinc/32/53/74/488325374.db2.gz CKVRKDUBLPCFSK-UWVGGRQHSA-N 1 2 225.267 1.090 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC=CCC1 ZINC000679280209 488328746 /nfs/dbraw/zinc/32/87/46/488328746.db2.gz SVPKWSNCLCJPJZ-UHFFFAOYSA-N 1 2 215.260 1.130 20 0 BDADLO Cc1cc(N2CC([C@H]3CCOC3)C2)nc[nH+]1 ZINC000684595248 488330177 /nfs/dbraw/zinc/33/01/77/488330177.db2.gz YMPIQSVFNFKNRY-JTQLQIEISA-N 1 2 219.288 1.258 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C(F)(F)F)O1 ZINC000684618124 488332512 /nfs/dbraw/zinc/33/25/12/488332512.db2.gz JYGFFJYTEDXCJK-CBAPKCEASA-N 1 2 249.236 1.561 20 0 BDADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C(F)(F)F)O1 ZINC000684618124 488332514 /nfs/dbraw/zinc/33/25/14/488332514.db2.gz JYGFFJYTEDXCJK-CBAPKCEASA-N 1 2 249.236 1.561 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC=CCC1 ZINC000679326919 488339554 /nfs/dbraw/zinc/33/95/54/488339554.db2.gz CJKJFYUZYUOZGN-LLVKDONJSA-N 1 2 231.299 1.234 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000679335588 488341392 /nfs/dbraw/zinc/34/13/92/488341392.db2.gz FJNDAGZRAMAHBH-BDAKNGLRSA-N 1 2 234.307 1.049 20 0 BDADLO CCc1cc(N2CCc3c[nH]nc3C2)nc(C)[nH+]1 ZINC000679838997 488367959 /nfs/dbraw/zinc/36/79/59/488367959.db2.gz GUXCIIJOYFXELT-UHFFFAOYSA-N 1 2 243.314 1.633 20 0 BDADLO Cc1nc(NCc2cc3n(n2)CCCO3)cc[nH+]1 ZINC000624362391 490101598 /nfs/dbraw/zinc/10/15/98/490101598.db2.gz PULDXIXNLLTDKQ-UHFFFAOYSA-N 1 2 245.286 1.376 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1cscn1 ZINC000129960467 490190316 /nfs/dbraw/zinc/19/03/16/490190316.db2.gz LNCMXNHBBNRIBS-YUMQZZPRSA-N 1 2 225.317 1.024 20 0 BDADLO CCCc1noc(COCc2[nH]cc[nH+]2)n1 ZINC000123745363 490258658 /nfs/dbraw/zinc/25/86/58/490258658.db2.gz ZWKUIAFOMYEUEY-UHFFFAOYSA-N 1 2 222.248 1.462 20 0 BDADLO c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)[nH]n1 ZINC000655812042 490259506 /nfs/dbraw/zinc/25/95/06/490259506.db2.gz NEAAUYZYRMODHC-QWHCGFSZSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000124223158 490267707 /nfs/dbraw/zinc/26/77/07/490267707.db2.gz QHELZYSZQMFVRR-SKDRFNHKSA-N 1 2 249.314 1.166 20 0 BDADLO C[C@@H](NC(=O)Cc1ccncc1)c1[nH]cc[nH+]1 ZINC000141053376 490271927 /nfs/dbraw/zinc/27/19/27/490271927.db2.gz JTOMTNDBRDNVRT-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657570764 490285621 /nfs/dbraw/zinc/28/56/21/490285621.db2.gz SYSJZLWIZMQHNB-VHSXEESVSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1ccsc1C[N@@H+](C)Cc1cnnn1C ZINC000349560260 490399611 /nfs/dbraw/zinc/39/96/11/490399611.db2.gz BDFKTAGLCYULLT-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccsc1C[N@H+](C)Cc1cnnn1C ZINC000349560260 490399613 /nfs/dbraw/zinc/39/96/13/490399613.db2.gz BDFKTAGLCYULLT-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccncc1 ZINC000072982458 490414817 /nfs/dbraw/zinc/41/48/17/490414817.db2.gz PRDSCJLQXKSNRU-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccncc1 ZINC000072982458 490414822 /nfs/dbraw/zinc/41/48/22/490414822.db2.gz PRDSCJLQXKSNRU-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2Cc2cncnc2)[nH]1 ZINC000125216362 490419985 /nfs/dbraw/zinc/41/99/85/490419985.db2.gz WDZQAOAFUWGBCH-GFCCVEGCSA-N 1 2 243.314 1.927 20 0 BDADLO Cc1cc(C)nc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000125257644 490423019 /nfs/dbraw/zinc/42/30/19/490423019.db2.gz ZDSCNTGNQDHZIA-SECBINFHSA-N 1 2 217.276 1.990 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000130825422 490455029 /nfs/dbraw/zinc/45/50/29/490455029.db2.gz FEPXTJPWTQURGH-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CCNC(=O)CCC(=O)Nc1ccc(C)[nH+]c1C ZINC000130803632 490454994 /nfs/dbraw/zinc/45/49/94/490454994.db2.gz RJMJDISGYRHWKP-UHFFFAOYSA-N 1 2 249.314 1.553 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cnccn1 ZINC000125962016 490475091 /nfs/dbraw/zinc/47/50/91/490475091.db2.gz RKTGSWGUGDWEEK-UHFFFAOYSA-N 1 2 231.259 1.092 20 0 BDADLO CC[C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074087438 490476809 /nfs/dbraw/zinc/47/68/09/490476809.db2.gz MJZVQWNDSCYXFE-MNOVXSKESA-N 1 2 223.320 1.824 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1CCCCC1 ZINC000074726781 490500977 /nfs/dbraw/zinc/50/09/77/490500977.db2.gz SBNRACHPLQGAPY-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1CCCCC1 ZINC000074726781 490500980 /nfs/dbraw/zinc/50/09/80/490500980.db2.gz SBNRACHPLQGAPY-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO C[C@@](CO)([NH2+]Cc1csnn1)c1ccccc1 ZINC000128587030 490581758 /nfs/dbraw/zinc/58/17/58/490581758.db2.gz HKAIYYZDKXLCBJ-LBPRGKRZSA-N 1 2 249.339 1.535 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CCCOC1 ZINC000493663466 491075372 /nfs/dbraw/zinc/07/53/72/491075372.db2.gz QELQSIDDHHEONQ-MVIFTORASA-N 1 2 249.314 1.211 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(C)CC1 ZINC000611915025 491074019 /nfs/dbraw/zinc/07/40/19/491074019.db2.gz AQSAIROLZAHMCN-NXEZZACHSA-N 1 2 233.315 1.440 20 0 BDADLO Cc1cc(N(CCCO)C2CC2)nc[nH+]1 ZINC000404204877 491082360 /nfs/dbraw/zinc/08/23/60/491082360.db2.gz AXPZDDRPZDXXQE-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO FC1CC2(C1)C[NH+](Cc1cc3n(n1)CCC3)C2 ZINC000668232545 491084722 /nfs/dbraw/zinc/08/47/22/491084722.db2.gz WGHYHTOONREBSZ-UHFFFAOYSA-N 1 2 235.306 1.763 20 0 BDADLO CC[C@@H](C)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000088521786 491104092 /nfs/dbraw/zinc/10/40/92/491104092.db2.gz JRHRWQIIZDMTKQ-GFCCVEGCSA-N 1 2 228.380 1.421 20 0 BDADLO FC(F)[C@H]1CCCN1CC[NH+]1CCOCC1 ZINC000353165518 491108747 /nfs/dbraw/zinc/10/87/47/491108747.db2.gz AEVFJQCZNIGRSS-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000353165518 491108748 /nfs/dbraw/zinc/10/87/48/491108748.db2.gz AEVFJQCZNIGRSS-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1CCN1CCOCC1 ZINC000353165518 491108749 /nfs/dbraw/zinc/10/87/49/491108749.db2.gz AEVFJQCZNIGRSS-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665869712 491109310 /nfs/dbraw/zinc/10/93/10/491109310.db2.gz KRSKCQJCUSPKJC-MVWJERBFSA-N 1 2 247.342 1.781 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089154104 491109548 /nfs/dbraw/zinc/10/95/48/491109548.db2.gz KNWIOIRRYJATHD-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089154104 491109549 /nfs/dbraw/zinc/10/95/49/491109549.db2.gz KNWIOIRRYJATHD-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO COC[C@@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000129505174 491113409 /nfs/dbraw/zinc/11/34/09/491113409.db2.gz VZSHPUWJXPLKDM-SNVBAGLBSA-N 1 2 247.302 1.200 20 0 BDADLO CC1(O)C[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000089647809 491116875 /nfs/dbraw/zinc/11/68/75/491116875.db2.gz ZEFAVHKAJGTWCD-UHFFFAOYSA-N 1 2 243.310 1.439 20 0 BDADLO c1c[nH+]c(COCc2noc3c2CCCC3)[nH]1 ZINC000123878868 491120888 /nfs/dbraw/zinc/12/08/88/491120888.db2.gz OQSYFHMFCOTQRG-UHFFFAOYSA-N 1 2 233.271 1.993 20 0 BDADLO Cc1[nH]nc2cc(NC(=O)[C@H](C)[NH+](C)C)ccc12 ZINC000091837179 491131682 /nfs/dbraw/zinc/13/16/82/491131682.db2.gz QBRUFICKOHVQAM-VIFPVBQESA-N 1 2 246.314 1.760 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(CO)CC2)[nH+]1 ZINC000081009512 491133801 /nfs/dbraw/zinc/13/38/01/491133801.db2.gz USDLXKSXSQAAHD-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1nccs1 ZINC000082269446 491141554 /nfs/dbraw/zinc/14/15/54/491141554.db2.gz SGQGMVCUMYZELD-UHFFFAOYSA-N 1 2 236.300 1.160 20 0 BDADLO CCc1nnc(CN[C@@H](C)c2[nH]cc[nH+]2)s1 ZINC000309643460 491153467 /nfs/dbraw/zinc/15/34/67/491153467.db2.gz LJZCHDUZTPFHBX-ZETCQYMHSA-N 1 2 237.332 1.674 20 0 BDADLO CCC(C)(CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000133972808 491161270 /nfs/dbraw/zinc/16/12/70/491161270.db2.gz BFWKMPMFLJNTBY-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC/C=C\Cl ZINC000891202309 582628521 /nfs/dbraw/zinc/62/85/21/582628521.db2.gz MXLILGRERVAAQW-DJWKRKHSSA-N 1 2 227.695 1.221 20 0 BDADLO C[C@H](CCCCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493493584 533854639 /nfs/dbraw/zinc/85/46/39/533854639.db2.gz LUCGKQNZTGVJFN-BRAIEQGRSA-N 1 2 237.303 1.090 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CC=C(C)CC1 ZINC000846091731 582644439 /nfs/dbraw/zinc/64/44/39/582644439.db2.gz PABLGVICTRUFOJ-JTQLQIEISA-N 1 2 212.293 1.143 20 0 BDADLO CS[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493082888 533960455 /nfs/dbraw/zinc/96/04/55/533960455.db2.gz ITWHDQZRGQMATN-GKQMSVHHSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCC1CC1 ZINC000488175375 534017401 /nfs/dbraw/zinc/01/74/01/534017401.db2.gz JSOANYGLCRUUON-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCC1CC1 ZINC000488175375 534017409 /nfs/dbraw/zinc/01/74/09/534017409.db2.gz JSOANYGLCRUUON-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)COC1CC1 ZINC000888978237 582669399 /nfs/dbraw/zinc/66/93/99/582669399.db2.gz GCGYRHLZCPKHMM-UHFFFAOYSA-N 1 2 220.272 1.183 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1noc(C)n1 ZINC000351480907 535769482 /nfs/dbraw/zinc/76/94/82/535769482.db2.gz WGWGUSSWRZGYOO-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CCn1nccc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334374078 535870324 /nfs/dbraw/zinc/87/03/24/535870324.db2.gz TZFRNJYZQQAXIJ-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1nccc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000334374078 535870332 /nfs/dbraw/zinc/87/03/32/535870332.db2.gz TZFRNJYZQQAXIJ-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000342638004 535925882 /nfs/dbraw/zinc/92/58/82/535925882.db2.gz UJIQOYBBHULQPZ-BXKDBHETSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492773013 534277540 /nfs/dbraw/zinc/27/75/40/534277540.db2.gz UGCLDMUUNYRWED-HWKXXFMVSA-N 1 2 219.288 1.537 20 0 BDADLO CCC1CC[NH+](Cc2noc(COC)n2)CC1 ZINC000356258473 517549766 /nfs/dbraw/zinc/54/97/66/517549766.db2.gz WCJRRPQPYLDMCU-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000348223157 536180475 /nfs/dbraw/zinc/18/04/75/536180475.db2.gz IRGGVVSMPRJBIH-YPMHNXCESA-N 1 2 238.306 1.549 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000348223157 536180478 /nfs/dbraw/zinc/18/04/78/536180478.db2.gz IRGGVVSMPRJBIH-YPMHNXCESA-N 1 2 238.306 1.549 20 0 BDADLO CC(C)(C(=O)NCCn1cc[nH+]c1)C(F)F ZINC000347986609 534338147 /nfs/dbraw/zinc/33/81/47/534338147.db2.gz JYVVTMLSWMQXSX-UHFFFAOYSA-N 1 2 231.246 1.291 20 0 BDADLO Cc1noc(C)c1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492906792 534363443 /nfs/dbraw/zinc/36/34/43/534363443.db2.gz BWAHMLBUGLHLRR-ARJAWSKDSA-N 1 2 246.270 1.344 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C(C)C)nc(N(C)C)[nH+]1 ZINC000488373073 534434488 /nfs/dbraw/zinc/43/44/88/534434488.db2.gz MXJRZLLGWOIKCP-LLVKDONJSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H]2C(C)C)[nH+]1 ZINC000488373073 534434497 /nfs/dbraw/zinc/43/44/97/534434497.db2.gz MXJRZLLGWOIKCP-LLVKDONJSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1cccc(C)c1C[NH+]1CC2(C1)CNC(=O)O2 ZINC000496216281 534663918 /nfs/dbraw/zinc/66/39/18/534663918.db2.gz FZXQBWLQZNUEDU-UHFFFAOYSA-N 1 2 246.310 1.598 20 0 BDADLO CC(=O)N[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335569671 534669172 /nfs/dbraw/zinc/66/91/72/534669172.db2.gz RFAKABIYCYLOEI-JTQLQIEISA-N 1 2 244.298 1.278 20 0 BDADLO Cc1cncc(/C=C/C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000492217987 534673664 /nfs/dbraw/zinc/67/36/64/534673664.db2.gz OYYYAHGEEHDBRT-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC12CCC2 ZINC000492867425 534800458 /nfs/dbraw/zinc/80/04/58/534800458.db2.gz ROBYGACRCMYSDW-IHWYPQMZSA-N 1 2 217.272 1.578 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1 ZINC000492822731 534803577 /nfs/dbraw/zinc/80/35/77/534803577.db2.gz LBRZBNOOTYNYKO-SREVYHEPSA-N 1 2 227.267 1.739 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC1CCCC1 ZINC000492856912 534803747 /nfs/dbraw/zinc/80/37/47/534803747.db2.gz CTCAAYRTOIKAQB-WAYWQWQTSA-N 1 2 221.260 1.413 20 0 BDADLO CC(C)C[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892415207 582882182 /nfs/dbraw/zinc/88/21/82/582882182.db2.gz DCDAFAAHEUMJQL-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)C[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892415207 582882185 /nfs/dbraw/zinc/88/21/85/582882185.db2.gz DCDAFAAHEUMJQL-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000494318791 534816022 /nfs/dbraw/zinc/81/60/22/534816022.db2.gz SJCDNCMVOPJQQP-LBPRGKRZSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000494318791 534816025 /nfs/dbraw/zinc/81/60/25/534816025.db2.gz SJCDNCMVOPJQQP-LBPRGKRZSA-N 1 2 247.298 1.108 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263137277 534916913 /nfs/dbraw/zinc/91/69/13/534916913.db2.gz CATXHBABSMWMJW-JGVFFNPUSA-N 1 2 232.274 1.146 20 0 BDADLO C(=C/c1ccncc1)\C[N@@H+]1CCn2cnnc2C1 ZINC000494955043 527469181 /nfs/dbraw/zinc/46/91/81/527469181.db2.gz LAWPDPOZIMRUAW-OWOJBTEDSA-N 1 2 241.298 1.202 20 0 BDADLO C(=C/c1ccncc1)\C[N@H+]1CCn2cnnc2C1 ZINC000494955043 527469187 /nfs/dbraw/zinc/46/91/87/527469187.db2.gz LAWPDPOZIMRUAW-OWOJBTEDSA-N 1 2 241.298 1.202 20 0 BDADLO C/C=C(/C=C/C(=O)NCCc1c[nH+]cn1C)CC ZINC000492668683 527551373 /nfs/dbraw/zinc/55/13/73/527551373.db2.gz CMEOSWHIRNYNIO-GJQNCLFESA-N 1 2 247.342 1.991 20 0 BDADLO C/C=C/C=C\C(=O)NCc1c[nH+]ccc1OC ZINC000492888380 527606428 /nfs/dbraw/zinc/60/64/28/527606428.db2.gz HNTVOSCIQJDPDW-ICWBMWKASA-N 1 2 232.283 1.839 20 0 BDADLO CCCN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493679903 527720562 /nfs/dbraw/zinc/72/05/62/527720562.db2.gz XRUYTFAVBUWCDV-WAYWQWQTSA-N 1 2 219.288 1.824 20 0 BDADLO CCC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493348659 527771424 /nfs/dbraw/zinc/77/14/24/527771424.db2.gz GKVNMIJMMYYWGN-ONEGZZNKSA-N 1 2 205.261 1.482 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493325887 527851309 /nfs/dbraw/zinc/85/13/09/527851309.db2.gz SWEVNLKNURZMKQ-NUNSBDKSSA-N 1 2 219.288 1.728 20 0 BDADLO COC[C@@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335339158 536525975 /nfs/dbraw/zinc/52/59/75/536525975.db2.gz JPIZMILGGHPSOZ-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO COC[C@@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335339158 536525982 /nfs/dbraw/zinc/52/59/82/536525982.db2.gz JPIZMILGGHPSOZ-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)OCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493681035 527940104 /nfs/dbraw/zinc/94/01/04/527940104.db2.gz BPTQUVRXNSOGOF-SNAWJCMRSA-N 1 2 237.303 1.354 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488174426 528032501 /nfs/dbraw/zinc/03/25/01/528032501.db2.gz HTPDAYKFXVNZRF-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488174426 528032507 /nfs/dbraw/zinc/03/25/07/528032507.db2.gz HTPDAYKFXVNZRF-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CCNC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219949 528073896 /nfs/dbraw/zinc/07/38/96/528073896.db2.gz NCFJCWCZSBGRBN-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CCNC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219949 528073899 /nfs/dbraw/zinc/07/38/99/528073899.db2.gz NCFJCWCZSBGRBN-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CO[C@H](C)c1nsc(-n2cc[nH+]c2)n1 ZINC000306254229 536530282 /nfs/dbraw/zinc/53/02/82/536530282.db2.gz LGUHSMWKNWTTCE-ZCFIWIBFSA-N 1 2 210.262 1.431 20 0 BDADLO CCO/C=C/C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000493797658 528484808 /nfs/dbraw/zinc/48/48/08/528484808.db2.gz XZQBQZBOYNZTEW-AATRIKPKSA-N 1 2 234.299 1.865 20 0 BDADLO CCO/C=C\C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000493786481 528536285 /nfs/dbraw/zinc/53/62/85/528536285.db2.gz JRSRDDLGSGDRKK-BZJXQOFCSA-N 1 2 223.276 1.527 20 0 BDADLO CCOC=CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000493786481 528536293 /nfs/dbraw/zinc/53/62/93/528536293.db2.gz JRSRDDLGSGDRKK-BZJXQOFCSA-N 1 2 223.276 1.527 20 0 BDADLO CCC(CC)N(CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000494848468 528775404 /nfs/dbraw/zinc/77/54/04/528775404.db2.gz YCERELLGABRVIK-GFCCVEGCSA-N 1 2 242.363 1.354 20 0 BDADLO CCC(CC)N(CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000494848468 528775414 /nfs/dbraw/zinc/77/54/14/528775414.db2.gz YCERELLGABRVIK-GFCCVEGCSA-N 1 2 242.363 1.354 20 0 BDADLO CCOC(=O)N1CC[NH+](C[C@@H](F)CC)CC1 ZINC000497033642 528992913 /nfs/dbraw/zinc/99/29/13/528992913.db2.gz IOQRBXBQDKWRKD-JTQLQIEISA-N 1 2 232.299 1.509 20 0 BDADLO CC1(C)CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000492859251 529039931 /nfs/dbraw/zinc/03/99/31/529039931.db2.gz GLPKHJSOCINYRC-PGLGOXFNSA-N 1 2 249.314 1.497 20 0 BDADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492855968 529060621 /nfs/dbraw/zinc/06/06/21/529060621.db2.gz ARVWMQQJZBZFFO-ONEGZZNKSA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)COCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493361155 529130875 /nfs/dbraw/zinc/13/08/75/529130875.db2.gz WRYWLDVNFGKKQB-ONEGZZNKSA-N 1 2 235.287 1.060 20 0 BDADLO CCN1CC[N@H+](CCC(F)(F)F)[C@H](C)C1=O ZINC000495197038 529142289 /nfs/dbraw/zinc/14/22/89/529142289.db2.gz WHFWFHFWLGDMIS-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CCN1CC[N@@H+](CCC(F)(F)F)[C@H](C)C1=O ZINC000495197038 529142292 /nfs/dbraw/zinc/14/22/92/529142292.db2.gz WHFWFHFWLGDMIS-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335558011 534929322 /nfs/dbraw/zinc/92/93/22/534929322.db2.gz IRBWEAZMXCEILJ-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336043942 535164579 /nfs/dbraw/zinc/16/45/79/535164579.db2.gz ORXLOGPRLZIFMG-ZJUUUORDSA-N 1 2 235.331 1.990 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000336043942 535164583 /nfs/dbraw/zinc/16/45/83/535164583.db2.gz ORXLOGPRLZIFMG-ZJUUUORDSA-N 1 2 235.331 1.990 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335904215 535247207 /nfs/dbraw/zinc/24/72/07/535247207.db2.gz HGEBWFMFUZIVBO-JTQLQIEISA-N 1 2 233.315 1.767 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)C[C@@H](C)O ZINC000352229692 535394018 /nfs/dbraw/zinc/39/40/18/535394018.db2.gz GBNMAPAUEIXIRP-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)C[C@@H](C)O ZINC000352229692 535394021 /nfs/dbraw/zinc/39/40/21/535394021.db2.gz GBNMAPAUEIXIRP-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352010066 535426250 /nfs/dbraw/zinc/42/62/50/535426250.db2.gz YRZSBNGMGXVTFY-RKDXNWHRSA-N 1 2 235.274 1.915 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12CC[C@H](C)[C@@H](C)C2 ZINC000352272874 535443679 /nfs/dbraw/zinc/44/36/79/535443679.db2.gz GNBMNTLXGGMYFJ-JBLDHEPKSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12CC[C@H](C)[C@@H](C)C2 ZINC000352272874 535443681 /nfs/dbraw/zinc/44/36/81/535443681.db2.gz GNBMNTLXGGMYFJ-JBLDHEPKSA-N 1 2 210.321 1.591 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000183869428 535690749 /nfs/dbraw/zinc/69/07/49/535690749.db2.gz MGFKDVBHEBNZKB-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@H+](C)CC)n1 ZINC000076721265 535737080 /nfs/dbraw/zinc/73/70/80/535737080.db2.gz QTMMGKOBJHJWGC-QMMMGPOBSA-N 1 2 213.281 1.619 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CC)n1 ZINC000076721265 535737083 /nfs/dbraw/zinc/73/70/83/535737083.db2.gz QTMMGKOBJHJWGC-QMMMGPOBSA-N 1 2 213.281 1.619 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1noc(C)n1 ZINC000351480907 535769479 /nfs/dbraw/zinc/76/94/79/535769479.db2.gz WGWGUSSWRZGYOO-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CCc1cc(N2CCNC(=O)[C@@H]2CC)nc(C)[nH+]1 ZINC000302118400 536146769 /nfs/dbraw/zinc/14/67/69/536146769.db2.gz XAFQKUSSRBMYBU-NSHDSACASA-N 1 2 248.330 1.062 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914464 536159249 /nfs/dbraw/zinc/15/92/49/536159249.db2.gz XFNSJJHXUJJSDN-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914464 536159252 /nfs/dbraw/zinc/15/92/52/536159252.db2.gz XFNSJJHXUJJSDN-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000348281892 536180520 /nfs/dbraw/zinc/18/05/20/536180520.db2.gz ORJUKUTUSKMHNS-OKILXGFUSA-N 1 2 248.326 1.244 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000348281892 536180524 /nfs/dbraw/zinc/18/05/24/536180524.db2.gz ORJUKUTUSKMHNS-OKILXGFUSA-N 1 2 248.326 1.244 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCC2CCCC2)CCOC1 ZINC000348075402 536578945 /nfs/dbraw/zinc/57/89/45/536578945.db2.gz PULZBVULNBBOJA-CYBMUJFWSA-N 1 2 241.331 1.488 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348251617 536630805 /nfs/dbraw/zinc/63/08/05/536630805.db2.gz WWKGHUHUMJHBMV-FXQIFTODSA-N 1 2 239.237 1.821 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348251617 536630811 /nfs/dbraw/zinc/63/08/11/536630811.db2.gz WWKGHUHUMJHBMV-FXQIFTODSA-N 1 2 239.237 1.821 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348251616 536630840 /nfs/dbraw/zinc/63/08/40/536630840.db2.gz WWKGHUHUMJHBMV-CSMHCCOUSA-N 1 2 239.237 1.821 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348251616 536630841 /nfs/dbraw/zinc/63/08/41/536630841.db2.gz WWKGHUHUMJHBMV-CSMHCCOUSA-N 1 2 239.237 1.821 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCO[C@H]2C[C@H]21 ZINC000644903697 566292791 /nfs/dbraw/zinc/29/27/91/566292791.db2.gz FHMBDYYCXZHKNT-NEPJUHHUSA-N 1 2 221.304 1.437 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851749096 582965491 /nfs/dbraw/zinc/96/54/91/582965491.db2.gz AAAAIJKWTHTZDJ-VIFPVBQESA-N 1 2 245.319 1.069 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1O ZINC000851906618 582978751 /nfs/dbraw/zinc/97/87/51/582978751.db2.gz CINPWBDEPUXINI-QWRGUYRKSA-N 1 2 239.319 1.299 20 0 BDADLO C[C@@H](O)c1cccc(N(C)CC2(CO)CC2)[nH+]1 ZINC000893381599 583132798 /nfs/dbraw/zinc/13/27/98/583132798.db2.gz GYAXWTQRUWGWHV-SNVBAGLBSA-N 1 2 236.315 1.344 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccno2)o1 ZINC000893550935 583163080 /nfs/dbraw/zinc/16/30/80/583163080.db2.gz IVTXPFPOUAGPSM-UHFFFAOYSA-N 1 2 208.217 1.566 20 0 BDADLO CN(C)c1cc(N[C@H]2CSC2(C)C)nc[nH+]1 ZINC000893728527 583215619 /nfs/dbraw/zinc/21/56/19/583215619.db2.gz UDIVCOOUTQHHFB-QMMMGPOBSA-N 1 2 238.360 1.849 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ocnc1C ZINC000893919783 583248669 /nfs/dbraw/zinc/24/86/69/583248669.db2.gz VLZXTSLMAFEDAA-VIFPVBQESA-N 1 2 224.260 1.120 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ocnc1C ZINC000893919783 583248674 /nfs/dbraw/zinc/24/86/74/583248674.db2.gz VLZXTSLMAFEDAA-VIFPVBQESA-N 1 2 224.260 1.120 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000894035985 583279784 /nfs/dbraw/zinc/27/97/84/583279784.db2.gz QINGGDNDEFECKZ-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000894035985 583279785 /nfs/dbraw/zinc/27/97/85/583279785.db2.gz QINGGDNDEFECKZ-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO CCCn1nc(C)c([C@H]2COCC[N@@H+]2C)c1C ZINC000852962619 588714743 /nfs/dbraw/zinc/71/47/43/588714743.db2.gz ICMCXTRHTQKNFN-GFCCVEGCSA-N 1 2 237.347 1.913 20 0 BDADLO CCCn1nc(C)c([C@H]2COCC[N@H+]2C)c1C ZINC000852962619 588714744 /nfs/dbraw/zinc/71/47/44/588714744.db2.gz ICMCXTRHTQKNFN-GFCCVEGCSA-N 1 2 237.347 1.913 20 0 BDADLO CCCNC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853045872 588717781 /nfs/dbraw/zinc/71/77/81/588717781.db2.gz ZTHBOMFQPRNVBH-QMMMGPOBSA-N 1 2 226.349 1.355 20 0 BDADLO Fc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ncn1 ZINC000853267675 588730048 /nfs/dbraw/zinc/73/00/48/588730048.db2.gz YHQIPFATGMYUKN-JTQLQIEISA-N 1 2 247.277 1.654 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(=O)o1 ZINC000853502322 588746282 /nfs/dbraw/zinc/74/62/82/588746282.db2.gz XGFRKOXQEMMPCX-QMMMGPOBSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c(=O)o1 ZINC000853502322 588746283 /nfs/dbraw/zinc/74/62/83/588746283.db2.gz XGFRKOXQEMMPCX-QMMMGPOBSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1cnc(F)cn1)CC2 ZINC000853473472 588744970 /nfs/dbraw/zinc/74/49/70/588744970.db2.gz IDWCZXHJVKZISP-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO Cc1nn(C[N@H+]2CCC[C@H](C(C)C)C2)c(=O)o1 ZINC000853509242 588746741 /nfs/dbraw/zinc/74/67/41/588746741.db2.gz XOQLMKHJKDMQNV-NSHDSACASA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c(=O)o1 ZINC000853509242 588746742 /nfs/dbraw/zinc/74/67/42/588746742.db2.gz XOQLMKHJKDMQNV-NSHDSACASA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@H+]2CC(C)(C)C[C@@H]2C)c(=O)o1 ZINC000853517132 588747289 /nfs/dbraw/zinc/74/72/89/588747289.db2.gz ZBHDIHPLFVRWQB-QMMMGPOBSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@@H+]2CC(C)(C)C[C@@H]2C)c(=O)o1 ZINC000853517132 588747290 /nfs/dbraw/zinc/74/72/90/588747290.db2.gz ZBHDIHPLFVRWQB-QMMMGPOBSA-N 1 2 225.292 1.223 20 0 BDADLO CC[N@H+](Cn1nc(C)oc1=O)C1CC(C)(C)C1 ZINC000853515612 588747356 /nfs/dbraw/zinc/74/73/56/588747356.db2.gz MZYRSXCVNZCADT-UHFFFAOYSA-N 1 2 239.319 1.613 20 0 BDADLO CC[N@@H+](Cn1nc(C)oc1=O)C1CC(C)(C)C1 ZINC000853515612 588747357 /nfs/dbraw/zinc/74/73/57/588747357.db2.gz MZYRSXCVNZCADT-UHFFFAOYSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nonc1CO[NH+]=C(N)c1ccccc1C ZINC000853638018 588751460 /nfs/dbraw/zinc/75/14/60/588751460.db2.gz YDDOHFBLHGOWIH-UHFFFAOYSA-N 1 2 246.270 1.733 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(F)ncn2)c2[nH+]ccn21 ZINC000853668416 588754139 /nfs/dbraw/zinc/75/41/39/588754139.db2.gz MUYMSUYLLSWMFR-JGVFFNPUSA-N 1 2 233.250 1.930 20 0 BDADLO CON1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000853671212 588754464 /nfs/dbraw/zinc/75/44/64/588754464.db2.gz IRCIHERTPWIQDN-UHFFFAOYSA-N 1 2 236.319 1.085 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cncs1 ZINC000853674119 588754911 /nfs/dbraw/zinc/75/49/11/588754911.db2.gz SAMVNRZSHFQQTL-ZCFIWIBFSA-N 1 2 215.278 1.176 20 0 BDADLO CC(C)(C)c1nc(NC[C@H]2COCO2)cc[nH+]1 ZINC000853686701 588756077 /nfs/dbraw/zinc/75/60/77/588756077.db2.gz LMQTUOBKRARJFV-VIFPVBQESA-N 1 2 237.303 1.559 20 0 BDADLO CC(C)[C@@H](C)ON=C(N)C[NH+]1CCSCC1 ZINC000853688175 588756476 /nfs/dbraw/zinc/75/64/76/588756476.db2.gz HUCLUGASGPQEOI-SNVBAGLBSA-N 1 2 245.392 1.578 20 0 BDADLO CC1(C)C[C@H](O[NH+]=C(N)[C@H]2CCCO2)CO1 ZINC000853697773 588757475 /nfs/dbraw/zinc/75/74/75/588757475.db2.gz JZNFZMARGPWNEC-DTWKUNHWSA-N 1 2 228.292 1.231 20 0 BDADLO NC(=[NH+]OCC1CC=CC1)[C@@H]1CCCO1 ZINC000853696774 588757526 /nfs/dbraw/zinc/75/75/26/588757526.db2.gz BYABDOMBCPWCJH-JTQLQIEISA-N 1 2 210.277 1.630 20 0 BDADLO CC(C)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000853698707 588757637 /nfs/dbraw/zinc/75/76/37/588757637.db2.gz SAKFZGPUJWQCNZ-RKDXNWHRSA-N 1 2 200.282 1.708 20 0 BDADLO CC(C)[C@@H](C)O[NH+]=C(N)COC[C@H]1CCCO1 ZINC000853727779 588759489 /nfs/dbraw/zinc/75/94/89/588759489.db2.gz HVVREJKSGHNBDD-GHMZBOCLSA-N 1 2 244.335 1.725 20 0 BDADLO CC(C)[C@H](C)O[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000853727401 588759800 /nfs/dbraw/zinc/75/98/00/588759800.db2.gz FJEGIKOYNNHQDO-WDEREUQCSA-N 1 2 244.335 1.582 20 0 BDADLO COC1(C(N)=[NH+]OCCC2CC2)CCOCC1 ZINC000853742902 588760791 /nfs/dbraw/zinc/76/07/91/588760791.db2.gz YKNGSTWFQROCCM-UHFFFAOYSA-N 1 2 242.319 1.481 20 0 BDADLO C1=C[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000853800750 588764155 /nfs/dbraw/zinc/76/41/55/588764155.db2.gz YWLCNSSMLUAQDV-LLVKDONJSA-N 1 2 246.314 1.444 20 0 BDADLO C1=C[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000853800750 588764156 /nfs/dbraw/zinc/76/41/56/588764156.db2.gz YWLCNSSMLUAQDV-LLVKDONJSA-N 1 2 246.314 1.444 20 0 BDADLO c1cnc(CNc2cc[nH+]c(C3CC3)n2)nc1 ZINC000853901206 588767759 /nfs/dbraw/zinc/76/77/59/588767759.db2.gz UZBQIJUNVOIOOR-UHFFFAOYSA-N 1 2 227.271 1.756 20 0 BDADLO C[C@H](Nc1ncnc2c1CCC2)c1[nH+]ccn1C ZINC000853967704 588770513 /nfs/dbraw/zinc/77/05/13/588770513.db2.gz VKKOEHMLIRFEHM-VIFPVBQESA-N 1 2 243.314 1.872 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854097097 588774581 /nfs/dbraw/zinc/77/45/81/588774581.db2.gz ZQPIITVWPXDWFX-ZANVPECISA-N 1 2 248.330 1.816 20 0 BDADLO CC12CC(C1)CN2C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854095259 588774600 /nfs/dbraw/zinc/77/46/00/588774600.db2.gz FOWXCDYWSNEHOS-RUETXSTFSA-N 1 2 246.314 1.522 20 0 BDADLO C[C@@H](NC(=O)NOCC1CC1)c1[nH+]ccn1C ZINC000854092338 588774678 /nfs/dbraw/zinc/77/46/78/588774678.db2.gz SDRRKQPPQYFIJT-MRVPVSSYSA-N 1 2 238.291 1.122 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cscn2)n1 ZINC000854132318 588775718 /nfs/dbraw/zinc/77/57/18/588775718.db2.gz SYTPKJPMARSNRJ-UHFFFAOYSA-N 1 2 224.289 1.226 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc([C@H]2C[C@H]2C)no1 ZINC000854140541 588776500 /nfs/dbraw/zinc/77/65/00/588776500.db2.gz GVAYSMDBFRKECV-VGMNWLOBSA-N 1 2 225.292 1.618 20 0 BDADLO C[C@H](CC(=O)NC1=[NH+]CCS1)[C@@H]1CCCO1 ZINC000854293069 588782801 /nfs/dbraw/zinc/78/28/01/588782801.db2.gz LTEOQIQMNYVGEG-BDAKNGLRSA-N 1 2 242.344 1.411 20 0 BDADLO COC/C(C)=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595201 588796515 /nfs/dbraw/zinc/79/65/15/588796515.db2.gz VZXGFNYVGFQBNB-BNICOGTQSA-N 1 2 223.276 1.180 20 0 BDADLO COCC(C)=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595201 588796516 /nfs/dbraw/zinc/79/65/16/588796516.db2.gz VZXGFNYVGFQBNB-BNICOGTQSA-N 1 2 223.276 1.180 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594407 588796309 /nfs/dbraw/zinc/79/63/09/588796309.db2.gz KSTXPKWPCQEHJB-UFGYOYAJSA-N 1 2 207.277 1.943 20 0 BDADLO CCC(C)=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594407 588796310 /nfs/dbraw/zinc/79/63/10/588796310.db2.gz KSTXPKWPCQEHJB-UFGYOYAJSA-N 1 2 207.277 1.943 20 0 BDADLO CCc1nocc1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854663207 588800020 /nfs/dbraw/zinc/80/00/20/588800020.db2.gz YXNAFGXWUSIZTO-UHFFFAOYSA-N 1 2 248.286 1.161 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854685393 588801120 /nfs/dbraw/zinc/80/11/20/588801120.db2.gz JZXFUXXUQAWPRV-ZDCRXTMVSA-N 1 2 231.299 1.490 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854685392 588801128 /nfs/dbraw/zinc/80/11/28/588801128.db2.gz JZXFUXXUQAWPRV-VPOLOUISSA-N 1 2 231.299 1.490 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(F)(F)CC ZINC000854756635 588806065 /nfs/dbraw/zinc/80/60/65/588806065.db2.gz GSAJEXWZWNXLPK-UHFFFAOYSA-N 1 2 231.246 1.565 20 0 BDADLO CC1=NO[C@H](C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000854845198 588813158 /nfs/dbraw/zinc/81/31/58/588813158.db2.gz KVROVDNPMZTQCQ-AEJSXWLSSA-N 1 2 248.286 1.170 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000855134114 588822894 /nfs/dbraw/zinc/82/28/94/588822894.db2.gz DNEUGIYHHHDSLT-UHFFFAOYSA-N 1 2 245.286 1.282 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000855134114 588822895 /nfs/dbraw/zinc/82/28/95/588822895.db2.gz DNEUGIYHHHDSLT-UHFFFAOYSA-N 1 2 245.286 1.282 20 0 BDADLO CCOC(=O)c1cn(C[N@H+]2CC=CCC2)nc1C ZINC000778577664 582550214 /nfs/dbraw/zinc/55/02/14/582550214.db2.gz UMVDJAAQLURARI-UHFFFAOYSA-N 1 2 249.314 1.588 20 0 BDADLO CCOC(=O)c1cn(C[N@@H+]2CC=CCC2)nc1C ZINC000778577664 582550217 /nfs/dbraw/zinc/55/02/17/582550217.db2.gz UMVDJAAQLURARI-UHFFFAOYSA-N 1 2 249.314 1.588 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C=CCC1 ZINC000855430038 588834779 /nfs/dbraw/zinc/83/47/79/588834779.db2.gz ACRXVFXCTSIGEH-SNVBAGLBSA-N 1 2 219.288 1.188 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)cn2)[C@@H](C)CO1 ZINC000844390660 582580652 /nfs/dbraw/zinc/58/06/52/582580652.db2.gz ZUFZBZMWOJJVME-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)cn2)[C@@H](C)CO1 ZINC000844390660 582580653 /nfs/dbraw/zinc/58/06/53/582580653.db2.gz ZUFZBZMWOJJVME-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)C(F)F ZINC000890854286 582580685 /nfs/dbraw/zinc/58/06/85/582580685.db2.gz AOYPATDDABLYRF-UHFFFAOYSA-N 1 2 239.225 1.524 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)C1(F)CC1 ZINC000890851459 582581086 /nfs/dbraw/zinc/58/10/86/582581086.db2.gz SWUHAZMMLSFTKA-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO COCC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284070 582611129 /nfs/dbraw/zinc/61/11/29/582611129.db2.gz KCUMALUQGFWEHN-WDEREUQCSA-N 1 2 240.303 1.802 20 0 BDADLO c1csc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000846755693 582665092 /nfs/dbraw/zinc/66/50/92/582665092.db2.gz MBAVZQUUQRRHNE-UHFFFAOYSA-N 1 2 239.344 1.420 20 0 BDADLO CC[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891413562 582680699 /nfs/dbraw/zinc/68/06/99/582680699.db2.gz VUONQNLIRFBWLO-DTWKUNHWSA-N 1 2 210.277 1.318 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2COC3(CCC3)C2)c[nH+]1 ZINC000855668150 588844607 /nfs/dbraw/zinc/84/46/07/588844607.db2.gz NTHKVCPSZVJSTP-SECBINFHSA-N 1 2 235.287 1.160 20 0 BDADLO C[C@@H](O)c1cccc(NCCn2cc[nH+]c2)n1 ZINC000891516714 582694770 /nfs/dbraw/zinc/69/47/70/582694770.db2.gz OHLFIHFJFPQCFT-SNVBAGLBSA-N 1 2 232.287 1.444 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)cnc1F ZINC000891542141 582695601 /nfs/dbraw/zinc/69/56/01/582695601.db2.gz JACWNXRWSOBMBT-SNVBAGLBSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)cnc1F ZINC000891542141 582695603 /nfs/dbraw/zinc/69/56/03/582695603.db2.gz JACWNXRWSOBMBT-SNVBAGLBSA-N 1 2 224.279 1.750 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3c2OCC3)CCO1 ZINC000891541187 582696037 /nfs/dbraw/zinc/69/60/37/582696037.db2.gz BSHLIWSDMRSBTE-LLVKDONJSA-N 1 2 233.311 1.842 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3c2OCC3)CCO1 ZINC000891541187 582696039 /nfs/dbraw/zinc/69/60/39/582696039.db2.gz BSHLIWSDMRSBTE-LLVKDONJSA-N 1 2 233.311 1.842 20 0 BDADLO CN(Cc1cnn(C)c1)c1nccn2c[nH+]cc12 ZINC000891558430 582696349 /nfs/dbraw/zinc/69/63/49/582696349.db2.gz JCAXXSUFRRGEPX-UHFFFAOYSA-N 1 2 242.286 1.099 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891561388 582697461 /nfs/dbraw/zinc/69/74/61/582697461.db2.gz ATQBKITYLIPDIE-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891561388 582697462 /nfs/dbraw/zinc/69/74/62/582697462.db2.gz ATQBKITYLIPDIE-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO CC(=O)NCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000891705428 582711115 /nfs/dbraw/zinc/71/11/15/582711115.db2.gz DSEGRVUVKYXWPZ-VIFPVBQESA-N 1 2 237.303 1.073 20 0 BDADLO CNc1cc(NC[C@H](O)c2ccco2)[nH+]cn1 ZINC000891778291 582719502 /nfs/dbraw/zinc/71/95/02/582719502.db2.gz LYKSMUAWHSWGJY-QMMMGPOBSA-N 1 2 234.259 1.257 20 0 BDADLO CCc1cc(NCc2cc[nH]n2)nc(CC)[nH+]1 ZINC000891822283 582726854 /nfs/dbraw/zinc/72/68/54/582726854.db2.gz LIMCYBFJPWZOAH-UHFFFAOYSA-N 1 2 231.303 1.937 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000855774213 588847563 /nfs/dbraw/zinc/84/75/63/588847563.db2.gz UZHILZXGORHWKA-VWYCJHECSA-N 1 2 233.315 1.505 20 0 BDADLO c1cn(C2CC2)c(CN2CCC3(C2)OCCO3)[nH+]1 ZINC000891919921 582738605 /nfs/dbraw/zinc/73/86/05/582738605.db2.gz XQSGHWWYRFMKPC-UHFFFAOYSA-N 1 2 249.314 1.167 20 0 BDADLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C2CC2)n1 ZINC000892056420 582777511 /nfs/dbraw/zinc/77/75/11/582777511.db2.gz SONZUUDDUHTYEQ-BETUJISGSA-N 1 2 247.342 1.661 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C2CC2)n1 ZINC000892056420 582777515 /nfs/dbraw/zinc/77/75/15/582777515.db2.gz SONZUUDDUHTYEQ-BETUJISGSA-N 1 2 247.342 1.661 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nccn1C1CC1 ZINC000892066607 582783208 /nfs/dbraw/zinc/78/32/08/582783208.db2.gz XCUYRXBOJMSGHL-SNVBAGLBSA-N 1 2 223.320 1.421 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nccn1C1CC1 ZINC000892066607 582783211 /nfs/dbraw/zinc/78/32/11/582783211.db2.gz XCUYRXBOJMSGHL-SNVBAGLBSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@H](O)c1cn(-c2ccc([NH+](C)C)cc2)nn1 ZINC000849145630 582842652 /nfs/dbraw/zinc/84/26/52/582842652.db2.gz HFRRGSVEMBDEAO-ZDUSSCGKSA-N 1 2 246.314 1.777 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000781605571 582863511 /nfs/dbraw/zinc/86/35/11/582863511.db2.gz DYPCSWXVIXBYDW-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO CCSC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000856062260 588858749 /nfs/dbraw/zinc/85/87/49/588858749.db2.gz LZRXALDZRKZHFG-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO CC(NC(=O)Cc1[nH]cc[nH+]1)(C1CC1)C1CC1 ZINC000856118667 588860758 /nfs/dbraw/zinc/86/07/58/588860758.db2.gz HDHIYNCLDMYYTB-UHFFFAOYSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H](O)c1cccc(NCC2(C)COC2)[nH+]1 ZINC000892505870 582900837 /nfs/dbraw/zinc/90/08/37/582900837.db2.gz MXNLSRMGPRVUNZ-SECBINFHSA-N 1 2 222.288 1.583 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000892515838 582904807 /nfs/dbraw/zinc/90/48/07/582904807.db2.gz ZOHOQZCRZKKGJD-UHFFFAOYSA-N 1 2 221.260 1.691 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1CC2(CC2)C1 ZINC000850215900 582907974 /nfs/dbraw/zinc/90/79/74/582907974.db2.gz OXTSSIHPTVJIKQ-UHFFFAOYSA-N 1 2 234.299 1.696 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000782597554 582918944 /nfs/dbraw/zinc/91/89/44/582918944.db2.gz QNJDIBASPYCGOM-GFCCVEGCSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000782597554 582918947 /nfs/dbraw/zinc/91/89/47/582918947.db2.gz QNJDIBASPYCGOM-GFCCVEGCSA-N 1 2 232.327 1.658 20 0 BDADLO CSCCCNc1cc(N(C)C)nc[nH+]1 ZINC000892600993 582924940 /nfs/dbraw/zinc/92/49/40/582924940.db2.gz QVCWSWLSZKUXBX-UHFFFAOYSA-N 1 2 226.349 1.708 20 0 BDADLO CSCCCNc1cc(N(C)C)[nH+]cn1 ZINC000892600993 582924943 /nfs/dbraw/zinc/92/49/43/582924943.db2.gz QVCWSWLSZKUXBX-UHFFFAOYSA-N 1 2 226.349 1.708 20 0 BDADLO CC(C)[C@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892641476 582935981 /nfs/dbraw/zinc/93/59/81/582935981.db2.gz CANBBJZQIXAYOB-GXSJLCMTSA-N 1 2 224.304 1.564 20 0 BDADLO CC[C@@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892649020 582938614 /nfs/dbraw/zinc/93/86/14/582938614.db2.gz JASWUKGQMMLWRJ-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CC[C@@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892649020 582938616 /nfs/dbraw/zinc/93/86/16/582938616.db2.gz JASWUKGQMMLWRJ-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1cnn(C)c1 ZINC000892664048 582944750 /nfs/dbraw/zinc/94/47/50/582944750.db2.gz XQWUQBVMDGWKGX-VIFPVBQESA-N 1 2 246.318 1.449 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1cnn(C)c1 ZINC000892664048 582944751 /nfs/dbraw/zinc/94/47/51/582944751.db2.gz XQWUQBVMDGWKGX-VIFPVBQESA-N 1 2 246.318 1.449 20 0 BDADLO C[N@@H+](Cc1cnon1)C[C@H]1CCCCO1 ZINC000851734438 582965196 /nfs/dbraw/zinc/96/51/96/582965196.db2.gz RQDQFZJMHGTIBY-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO C[N@H+](Cc1cnon1)C[C@H]1CCCCO1 ZINC000851734438 582965197 /nfs/dbraw/zinc/96/51/97/582965197.db2.gz RQDQFZJMHGTIBY-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO CO[C@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856276453 588866521 /nfs/dbraw/zinc/86/65/21/588866521.db2.gz AXDBUTGFOVTPBN-BDAKNGLRSA-N 1 2 225.292 1.022 20 0 BDADLO CO[C@@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856276456 588866551 /nfs/dbraw/zinc/86/65/51/588866551.db2.gz AXDBUTGFOVTPBN-IUCAKERBSA-N 1 2 225.292 1.022 20 0 BDADLO CC(C)OCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277017 588866704 /nfs/dbraw/zinc/86/67/04/588866704.db2.gz FXNRZZZXHANROY-SNVBAGLBSA-N 1 2 239.319 1.412 20 0 BDADLO C/C=C/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277154 588866726 /nfs/dbraw/zinc/86/67/26/588866726.db2.gz WBQHGKGRKTUWTR-IAYQKGBCSA-N 1 2 219.288 1.730 20 0 BDADLO CC[C@H](C[C@H](C)CO)Nc1cc(NC)nc[nH+]1 ZINC000892744930 582975356 /nfs/dbraw/zinc/97/53/56/582975356.db2.gz HDXUXSBKVMLHLG-VHSXEESVSA-N 1 2 238.335 1.727 20 0 BDADLO CO[C@H](CNc1cc(N(C)C)nc[nH+]1)C(C)C ZINC000892752168 582975613 /nfs/dbraw/zinc/97/56/13/582975613.db2.gz BDJMQVSYUQTQBI-SNVBAGLBSA-N 1 2 238.335 1.626 20 0 BDADLO CO[C@H](CNc1cc(N(C)C)[nH+]cn1)C(C)C ZINC000892752168 582975614 /nfs/dbraw/zinc/97/56/14/582975614.db2.gz BDJMQVSYUQTQBI-SNVBAGLBSA-N 1 2 238.335 1.626 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cnon2)C[C@@H]1O ZINC000851906618 582978750 /nfs/dbraw/zinc/97/87/50/582978750.db2.gz CINPWBDEPUXINI-QWRGUYRKSA-N 1 2 239.319 1.299 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCCN(C)C2=O)[nH+]1 ZINC000892801312 582986388 /nfs/dbraw/zinc/98/63/88/582986388.db2.gz ONGGVSUKMOGMKT-ONGXEEELSA-N 1 2 249.314 1.168 20 0 BDADLO CN(C)c1ccccc1C[N@H+](C)Cc1cnon1 ZINC000852053638 582995666 /nfs/dbraw/zinc/99/56/66/582995666.db2.gz CMMGJWDOXRUSDH-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1ccccc1C[N@@H+](C)Cc1cnon1 ZINC000852053638 582995667 /nfs/dbraw/zinc/99/56/67/582995667.db2.gz CMMGJWDOXRUSDH-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO C[C@H](O)C[C@@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000892955212 583020686 /nfs/dbraw/zinc/02/06/86/583020686.db2.gz GWTFYOHOTZHYPY-QWRGUYRKSA-N 1 2 246.314 1.469 20 0 BDADLO CCCCCCOCC(=O)NCc1[nH]cc[nH+]1 ZINC000114337637 588874082 /nfs/dbraw/zinc/87/40/82/588874082.db2.gz VJTWVOISSUTHGM-UHFFFAOYSA-N 1 2 239.319 1.623 20 0 BDADLO CO[C@@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000893125672 583053431 /nfs/dbraw/zinc/05/34/31/583053431.db2.gz DBVUJQPVTZKORU-LLVKDONJSA-N 1 2 246.314 1.735 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)C[S@@](C)=O)[nH+]1 ZINC000893139436 583055783 /nfs/dbraw/zinc/05/57/83/583055783.db2.gz MTRMRFFFRLBPFI-ABFUHYCJSA-N 1 2 242.344 1.314 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCO1 ZINC000853699281 583062000 /nfs/dbraw/zinc/06/20/00/583062000.db2.gz ZUYGGCJXLGABST-VLEAKVRGSA-N 1 2 224.304 1.710 20 0 BDADLO Cc1ccc(Cn2c(Cl)cncc2=O)c(C)[nH+]1 ZINC000853705433 583062716 /nfs/dbraw/zinc/06/27/16/583062716.db2.gz OSSFADPVTXJMMN-UHFFFAOYSA-N 1 2 249.701 1.957 20 0 BDADLO OCc1ccncc1NCc1[nH+]ccn1C1CC1 ZINC000893196547 583069324 /nfs/dbraw/zinc/06/93/24/583069324.db2.gz DVJGBAXSAMBLLT-UHFFFAOYSA-N 1 2 244.298 1.717 20 0 BDADLO CCc1cc(N2CC[C@H](O)[C@@H](C)C2)nc(CC)[nH+]1 ZINC000893268641 583081105 /nfs/dbraw/zinc/08/11/05/583081105.db2.gz HGRUIPLXINGKIB-JQWIXIFHSA-N 1 2 249.358 1.809 20 0 BDADLO OCC[C@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000893273950 583082375 /nfs/dbraw/zinc/08/23/75/583082375.db2.gz MOEXDAVHHXEDNN-SNVBAGLBSA-N 1 2 232.287 1.081 20 0 BDADLO O=C(NOCC1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000856348906 588869204 /nfs/dbraw/zinc/86/92/04/588869204.db2.gz UGVVQWBZUQFSJN-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cnccn2)[nH]1 ZINC000856775182 588877004 /nfs/dbraw/zinc/87/70/04/588877004.db2.gz GSKIAARGMWNZSQ-VIFPVBQESA-N 1 2 246.318 1.569 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)c2ncn(C)n2)[nH+]1 ZINC000893367392 583126862 /nfs/dbraw/zinc/12/68/62/583126862.db2.gz LNRJWEDPFWHXBC-DTWKUNHWSA-N 1 2 247.302 1.437 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)CCCF ZINC000893533608 583158280 /nfs/dbraw/zinc/15/82/80/583158280.db2.gz XVHLPZFKVGMVCG-VIFPVBQESA-N 1 2 226.251 1.929 20 0 BDADLO CC1=CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893662088 583190281 /nfs/dbraw/zinc/19/02/81/583190281.db2.gz TYMZAADTOYMSJB-UHFFFAOYSA-N 1 2 214.272 1.886 20 0 BDADLO Cn1cc(C[NH+]2CC(C(C)(C)O)C2)c(Cl)n1 ZINC000857047937 588884379 /nfs/dbraw/zinc/88/43/79/588884379.db2.gz SCFACWDTIYGUBZ-UHFFFAOYSA-N 1 2 243.738 1.276 20 0 BDADLO CN(C)c1cc(N[C@H]2CSC2(C)C)[nH+]cn1 ZINC000893728527 583215618 /nfs/dbraw/zinc/21/56/18/583215618.db2.gz UDIVCOOUTQHHFB-QMMMGPOBSA-N 1 2 238.360 1.849 20 0 BDADLO CCc1cc(NCc2cnn(C)n2)nc(CC)[nH+]1 ZINC000893848465 583233001 /nfs/dbraw/zinc/23/30/01/583233001.db2.gz LPODMCVRRVWFSE-UHFFFAOYSA-N 1 2 246.318 1.342 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000893866987 583235135 /nfs/dbraw/zinc/23/51/35/583235135.db2.gz RWUABMTWCJEVAK-PHIMTYICSA-N 1 2 235.331 1.581 20 0 BDADLO Cc1ccnc(N)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000893866987 583235138 /nfs/dbraw/zinc/23/51/38/583235138.db2.gz RWUABMTWCJEVAK-PHIMTYICSA-N 1 2 235.331 1.581 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCOC2)[nH+]cn1 ZINC000893876234 583238731 /nfs/dbraw/zinc/23/87/31/583238731.db2.gz LSGSQNSTDKQBST-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCOC2)nc[nH+]1 ZINC000893876234 583238734 /nfs/dbraw/zinc/23/87/34/583238734.db2.gz LSGSQNSTDKQBST-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO Cc1noc2ncc(C[N@@H+]3CCO[C@@H](C)C3)cc12 ZINC000893917296 583246729 /nfs/dbraw/zinc/24/67/29/583246729.db2.gz SUWAHKVRIULRJQ-VIFPVBQESA-N 1 2 247.298 1.752 20 0 BDADLO Cc1noc2ncc(C[N@H+]3CCO[C@@H](C)C3)cc12 ZINC000893917296 583246730 /nfs/dbraw/zinc/24/67/30/583246730.db2.gz SUWAHKVRIULRJQ-VIFPVBQESA-N 1 2 247.298 1.752 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H](C)C2)c1C ZINC000893917818 583247005 /nfs/dbraw/zinc/24/70/05/583247005.db2.gz YRYCFNYUUFRDFR-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@H](C)C2)c1C ZINC000893917818 583247009 /nfs/dbraw/zinc/24/70/09/583247009.db2.gz YRYCFNYUUFRDFR-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO CC[C@@H](CNc1cccc([C@H](C)O)[nH+]1)OC ZINC000893916397 583247270 /nfs/dbraw/zinc/24/72/70/583247270.db2.gz APRYQBHDUMBCFF-UWVGGRQHSA-N 1 2 224.304 1.972 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893962781 583257998 /nfs/dbraw/zinc/25/79/98/583257998.db2.gz QTTQLIWNTUSUQH-VIFPVBQESA-N 1 2 249.266 1.607 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893962781 583258001 /nfs/dbraw/zinc/25/80/01/583258001.db2.gz QTTQLIWNTUSUQH-VIFPVBQESA-N 1 2 249.266 1.607 20 0 BDADLO Cc1n[nH]c(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1C ZINC000893953031 583261501 /nfs/dbraw/zinc/26/15/01/583261501.db2.gz PYQNIYLLCKIZFY-RKDXNWHRSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1C ZINC000893953031 583261504 /nfs/dbraw/zinc/26/15/04/583261504.db2.gz PYQNIYLLCKIZFY-RKDXNWHRSA-N 1 2 223.320 1.636 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000893976630 583265970 /nfs/dbraw/zinc/26/59/70/583265970.db2.gz VRWCDFLNRIPKAJ-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000893976630 583265971 /nfs/dbraw/zinc/26/59/71/583265971.db2.gz VRWCDFLNRIPKAJ-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cc(C)co1 ZINC000893993644 583268188 /nfs/dbraw/zinc/26/81/88/583268188.db2.gz DFEQKXWSQMPEDX-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(C)co1 ZINC000893993644 583268190 /nfs/dbraw/zinc/26/81/90/583268190.db2.gz DFEQKXWSQMPEDX-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1cccc(F)c1 ZINC000893983386 583268929 /nfs/dbraw/zinc/26/89/29/583268929.db2.gz BFVZMUQMBZJOHP-JOAKQRRISA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1cccc(F)c1 ZINC000893983386 583268932 /nfs/dbraw/zinc/26/89/32/583268932.db2.gz BFVZMUQMBZJOHP-JOAKQRRISA-N 1 2 248.301 1.659 20 0 BDADLO CSc1ccc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000894003724 583272334 /nfs/dbraw/zinc/27/23/34/583272334.db2.gz PBGNJKCOJGNSJH-UHFFFAOYSA-N 1 2 240.328 1.323 20 0 BDADLO CSc1ccc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000894003724 583272336 /nfs/dbraw/zinc/27/23/36/583272336.db2.gz PBGNJKCOJGNSJH-UHFFFAOYSA-N 1 2 240.328 1.323 20 0 BDADLO CN1CC[N@H+](C/C=C/c2cccc(F)c2)CC1=O ZINC000894032933 583276968 /nfs/dbraw/zinc/27/69/68/583276968.db2.gz UQVIDEBYZLUNED-HWKANZROSA-N 1 2 248.301 1.613 20 0 BDADLO CN1CC[N@@H+](C/C=C/c2cccc(F)c2)CC1=O ZINC000894032933 583276969 /nfs/dbraw/zinc/27/69/69/583276969.db2.gz UQVIDEBYZLUNED-HWKANZROSA-N 1 2 248.301 1.613 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000894035984 583279217 /nfs/dbraw/zinc/27/92/17/583279217.db2.gz QINGGDNDEFECKZ-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000894035984 583279218 /nfs/dbraw/zinc/27/92/18/583279218.db2.gz QINGGDNDEFECKZ-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000894039858 583283660 /nfs/dbraw/zinc/28/36/60/583283660.db2.gz NBBQHCYYVOVELA-MMPTUQATSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000894039858 583283661 /nfs/dbraw/zinc/28/36/61/583283661.db2.gz NBBQHCYYVOVELA-MMPTUQATSA-N 1 2 241.356 1.929 20 0 BDADLO CNc1cc(N2CC[C@@H](OC)[C@@H](C)C2)nc[nH+]1 ZINC000894062655 583292521 /nfs/dbraw/zinc/29/25/21/583292521.db2.gz FBJDOEHENQCLBD-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@@H](OC)[C@@H](C)C2)[nH+]cn1 ZINC000894062655 583292522 /nfs/dbraw/zinc/29/25/22/583292522.db2.gz FBJDOEHENQCLBD-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO CC[C@H]1C[N@H+](Cc2n[nH]c(C)c2C)C[C@H]1O ZINC000894095784 583300999 /nfs/dbraw/zinc/30/09/99/583300999.db2.gz RZZNFWIMNYHLIU-CMPLNLGQSA-N 1 2 223.320 1.229 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2n[nH]c(C)c2C)C[C@H]1O ZINC000894095784 583301000 /nfs/dbraw/zinc/30/10/00/583301000.db2.gz RZZNFWIMNYHLIU-CMPLNLGQSA-N 1 2 223.320 1.229 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332891551 583303202 /nfs/dbraw/zinc/30/32/02/583303202.db2.gz KCGHIKOYAOLCAL-VHSXEESVSA-N 1 2 248.330 1.318 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332891551 583303205 /nfs/dbraw/zinc/30/32/05/583303205.db2.gz KCGHIKOYAOLCAL-VHSXEESVSA-N 1 2 248.330 1.318 20 0 BDADLO C[C@H](O)c1cccc(NCCc2cn(C)c[nH+]2)n1 ZINC000894150669 583319133 /nfs/dbraw/zinc/31/91/33/583319133.db2.gz DYZIFNQBFKDICB-JTQLQIEISA-N 1 2 246.314 1.523 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]C(CF)CF)[C@]12CCCO2 ZINC000877555765 583326601 /nfs/dbraw/zinc/32/66/01/583326601.db2.gz AWAYYFRROMJGMH-QJPTWQEYSA-N 1 2 249.301 1.610 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000894177990 583328734 /nfs/dbraw/zinc/32/87/34/583328734.db2.gz FIOMZAFODOKVFQ-XTQFYOIMSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCC2=O)Cc2ccccc2O1 ZINC000857237898 588900801 /nfs/dbraw/zinc/90/08/01/588900801.db2.gz WXUADPLXKXKHNY-LLVKDONJSA-N 1 2 246.310 1.459 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCC2=O)Cc2ccccc2O1 ZINC000857237898 588900802 /nfs/dbraw/zinc/90/08/02/588900802.db2.gz WXUADPLXKXKHNY-LLVKDONJSA-N 1 2 246.310 1.459 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2C[C@@](C)(O)C2)[nH+]1 ZINC000894232930 583385042 /nfs/dbraw/zinc/38/50/42/583385042.db2.gz MRRZNHDJJURDNO-HOTUBEGUSA-N 1 2 222.288 1.460 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000878651653 583388692 /nfs/dbraw/zinc/38/86/92/583388692.db2.gz CHTXZDSIGYJRBH-GHMZBOCLSA-N 1 2 233.315 1.669 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000878651653 583388695 /nfs/dbraw/zinc/38/86/95/583388695.db2.gz CHTXZDSIGYJRBH-GHMZBOCLSA-N 1 2 233.315 1.669 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000878651654 583389191 /nfs/dbraw/zinc/38/91/91/583389191.db2.gz CHTXZDSIGYJRBH-MNOVXSKESA-N 1 2 233.315 1.669 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000878651654 583389192 /nfs/dbraw/zinc/38/91/92/583389192.db2.gz CHTXZDSIGYJRBH-MNOVXSKESA-N 1 2 233.315 1.669 20 0 BDADLO c1cn(C2CC2)c(CN2CCOCC23CC3)[nH+]1 ZINC000894279026 583407488 /nfs/dbraw/zinc/40/74/88/583407488.db2.gz KRKJKJCWCDQRRP-UHFFFAOYSA-N 1 2 233.315 1.583 20 0 BDADLO Oc1ccc(C[N@@H+]2CCOCC23CC3)cc1F ZINC000894280665 583408195 /nfs/dbraw/zinc/40/81/95/583408195.db2.gz XVLOCWAVEJELLL-UHFFFAOYSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1ccc(C[N@H+]2CCOCC23CC3)cc1F ZINC000894280665 583408196 /nfs/dbraw/zinc/40/81/96/583408196.db2.gz XVLOCWAVEJELLL-UHFFFAOYSA-N 1 2 237.274 1.896 20 0 BDADLO Cc1ccc(C[N@H+](C)CN2CCC2=O)s1 ZINC000857232487 588897648 /nfs/dbraw/zinc/89/76/48/588897648.db2.gz ZDWQBKPFZKBNEX-UHFFFAOYSA-N 1 2 224.329 1.678 20 0 BDADLO Cc1ccc(C[N@@H+](C)CN2CCC2=O)s1 ZINC000857232487 588897650 /nfs/dbraw/zinc/89/76/50/588897650.db2.gz ZDWQBKPFZKBNEX-UHFFFAOYSA-N 1 2 224.329 1.678 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879324873 583425041 /nfs/dbraw/zinc/42/50/41/583425041.db2.gz KUTHAMQETVZEAF-QWRGUYRKSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879324873 583425044 /nfs/dbraw/zinc/42/50/44/583425044.db2.gz KUTHAMQETVZEAF-QWRGUYRKSA-N 1 2 238.335 1.297 20 0 BDADLO O=C1CCN1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000857233069 588898346 /nfs/dbraw/zinc/89/83/46/588898346.db2.gz UVJDLSAATKZGBH-UHFFFAOYSA-N 1 2 238.331 1.211 20 0 BDADLO O=C1CCN1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000857233069 588898347 /nfs/dbraw/zinc/89/83/47/588898347.db2.gz UVJDLSAATKZGBH-UHFFFAOYSA-N 1 2 238.331 1.211 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnc(F)c(C)c1 ZINC000894465472 583467908 /nfs/dbraw/zinc/46/79/08/583467908.db2.gz WWDGWMZKKLDDII-UHFFFAOYSA-N 1 2 236.250 1.510 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1C ZINC000894497698 583473094 /nfs/dbraw/zinc/47/30/94/583473094.db2.gz PCHAVBFTBNIJDW-UFBFGSQYSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1C ZINC000894497698 583473096 /nfs/dbraw/zinc/47/30/96/583473096.db2.gz PCHAVBFTBNIJDW-UFBFGSQYSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H]2CCO)c1C ZINC000894500676 583475037 /nfs/dbraw/zinc/47/50/37/583475037.db2.gz OTZDTWLCYIZCAO-NSHDSACASA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H]2CCO)c1C ZINC000894500676 583475038 /nfs/dbraw/zinc/47/50/38/583475038.db2.gz OTZDTWLCYIZCAO-NSHDSACASA-N 1 2 223.320 1.373 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ocnc2C)CCO1 ZINC000894532904 583478516 /nfs/dbraw/zinc/47/85/16/583478516.db2.gz JSZXBVOHNMAWDT-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ocnc2C)CCO1 ZINC000894532904 583478519 /nfs/dbraw/zinc/47/85/19/583478519.db2.gz JSZXBVOHNMAWDT-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000894535407 583480037 /nfs/dbraw/zinc/48/00/37/583480037.db2.gz SGKORLHEOBWPPL-INTQDDNPSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000894535407 583480038 /nfs/dbraw/zinc/48/00/38/583480038.db2.gz SGKORLHEOBWPPL-INTQDDNPSA-N 1 2 224.304 1.981 20 0 BDADLO CCc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc(CC)[nH+]1 ZINC000894564912 583484595 /nfs/dbraw/zinc/48/45/95/583484595.db2.gz HAARIJWXBNOPMM-IINYFYTJSA-N 1 2 247.342 1.563 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000894572537 583485697 /nfs/dbraw/zinc/48/56/97/583485697.db2.gz LLMUNRBAHOXLDX-NXEZZACHSA-N 1 2 232.287 1.079 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@@H](O)C23CCC3)[nH+]cn1 ZINC000894576993 583487403 /nfs/dbraw/zinc/48/74/03/583487403.db2.gz MZLULSYDYZWVRK-VHSXEESVSA-N 1 2 248.330 1.258 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000894576993 583487405 /nfs/dbraw/zinc/48/74/05/583487405.db2.gz MZLULSYDYZWVRK-VHSXEESVSA-N 1 2 248.330 1.258 20 0 BDADLO CN(Cc1c[nH+]c2n1CCC2)Cc1ncc[nH]1 ZINC000894587266 583490052 /nfs/dbraw/zinc/49/00/52/583490052.db2.gz XURCYHYCWUVHCF-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CN(Cc1cnc(Cl)n1C)Cc1[nH]cc[nH+]1 ZINC000894587155 583490677 /nfs/dbraw/zinc/49/06/77/583490677.db2.gz SDWVHTUDFGFUSP-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccnc(OC)c1F ZINC000894613098 583494135 /nfs/dbraw/zinc/49/41/35/583494135.db2.gz SHILYMDCTJVWJN-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccnc(OC)c1F ZINC000894613098 583494138 /nfs/dbraw/zinc/49/41/38/583494138.db2.gz SHILYMDCTJVWJN-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO c1cn(C2CC2)c(C[NH+]2CC3(C2)CCOC3)n1 ZINC000894648907 583499799 /nfs/dbraw/zinc/49/97/99/583499799.db2.gz LFBIKGWNWWWSRH-UHFFFAOYSA-N 1 2 233.315 1.440 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000894672102 583504115 /nfs/dbraw/zinc/50/41/15/583504115.db2.gz SWIFDXWIUKNIJN-QMMMGPOBSA-N 1 2 225.292 1.940 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000894672102 583504116 /nfs/dbraw/zinc/50/41/16/583504116.db2.gz SWIFDXWIUKNIJN-QMMMGPOBSA-N 1 2 225.292 1.940 20 0 BDADLO Cc1cc(C[N@H+](C2CC2)C2COC2)cnc1F ZINC000894659651 583504492 /nfs/dbraw/zinc/50/44/92/583504492.db2.gz YTLGUTCACPJXMW-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1cc(C[N@@H+](C2CC2)C2COC2)cnc1F ZINC000894659651 583504493 /nfs/dbraw/zinc/50/44/93/583504493.db2.gz YTLGUTCACPJXMW-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)[C@H](C)CO)n1 ZINC000894770929 583516505 /nfs/dbraw/zinc/51/65/05/583516505.db2.gz SKZSYAOGSJLFFN-SECBINFHSA-N 1 2 211.309 1.346 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)[C@H](C)CO)n1 ZINC000894770929 583516503 /nfs/dbraw/zinc/51/65/03/583516503.db2.gz SKZSYAOGSJLFFN-SECBINFHSA-N 1 2 211.309 1.346 20 0 BDADLO CN(C)c1cc(N[C@@H]2CO[C@@H](C3CC3)C2)[nH+]cn1 ZINC000894778505 583519935 /nfs/dbraw/zinc/51/99/35/583519935.db2.gz QKQBBRUZLRABOV-WDEREUQCSA-N 1 2 248.330 1.522 20 0 BDADLO CN(C)c1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc[nH+]1 ZINC000894778505 583519936 /nfs/dbraw/zinc/51/99/36/583519936.db2.gz QKQBBRUZLRABOV-WDEREUQCSA-N 1 2 248.330 1.522 20 0 BDADLO Cc1c[nH]c(CNc2ncncc2C)[nH+]1 ZINC000894791295 583520492 /nfs/dbraw/zinc/52/04/92/583520492.db2.gz XGSMDUQQXGEICT-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO COC1CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894818523 583524949 /nfs/dbraw/zinc/52/49/49/583524949.db2.gz DMPXORPTQOCKHI-UHFFFAOYSA-N 1 2 207.277 1.049 20 0 BDADLO CC1(O)C[NH+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000894830953 583527929 /nfs/dbraw/zinc/52/79/29/583527929.db2.gz PLRGLHRMZRGIKS-UHFFFAOYSA-N 1 2 234.255 1.100 20 0 BDADLO CC1(CO)C[NH+](Cc2cnn(CC3CCC3)c2)C1 ZINC000894839598 583529827 /nfs/dbraw/zinc/52/98/27/583529827.db2.gz GEONZZLKLDGYKG-UHFFFAOYSA-N 1 2 249.358 1.497 20 0 BDADLO CC1(CO)C[NH+](Cc2cnn(C3CCC3)c2)C1 ZINC000894841495 583530256 /nfs/dbraw/zinc/53/02/56/583530256.db2.gz VTJGWCDOPBFRQR-UHFFFAOYSA-N 1 2 235.331 1.422 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)n2C)[C@H]1C ZINC000894861707 583535398 /nfs/dbraw/zinc/53/53/98/583535398.db2.gz MNFQITFZXOPZAY-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)n2C)[C@H]1C ZINC000894861707 583535401 /nfs/dbraw/zinc/53/54/01/583535401.db2.gz MNFQITFZXOPZAY-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO c1cn(C2CC2)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000894867164 583538634 /nfs/dbraw/zinc/53/86/34/583538634.db2.gz KNCMXXBBKPVPBR-QWRGUYRKSA-N 1 2 235.356 1.908 20 0 BDADLO c1cn(C2CC2)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000894867164 583538636 /nfs/dbraw/zinc/53/86/36/583538636.db2.gz KNCMXXBBKPVPBR-QWRGUYRKSA-N 1 2 235.356 1.908 20 0 BDADLO Cc1ncoc1C[N@H+](C1CC1)C1COC1 ZINC000894868873 583539214 /nfs/dbraw/zinc/53/92/14/583539214.db2.gz KATQFLQGVLFSLP-UHFFFAOYSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1ncoc1C[N@@H+](C1CC1)C1COC1 ZINC000894868873 583539215 /nfs/dbraw/zinc/53/92/15/583539215.db2.gz KATQFLQGVLFSLP-UHFFFAOYSA-N 1 2 208.261 1.346 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1CCCC1CC1 ZINC000881322773 583550846 /nfs/dbraw/zinc/55/08/46/583550846.db2.gz NBRNGDKMBRGQSJ-LBPRGKRZSA-N 1 2 236.319 1.129 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C[C@@H]1C ZINC000894905063 583553095 /nfs/dbraw/zinc/55/30/95/583553095.db2.gz RKKRMPVVRWLFTN-ZANVPECISA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C[C@@H]1C ZINC000894905063 583553096 /nfs/dbraw/zinc/55/30/96/583553096.db2.gz RKKRMPVVRWLFTN-ZANVPECISA-N 1 2 237.347 1.883 20 0 BDADLO CCc1nc(CNCc2c(C)cc[nH+]c2N)co1 ZINC000894918287 583555287 /nfs/dbraw/zinc/55/52/87/583555287.db2.gz VAYACMXADIKJNX-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@@H](C)CCO ZINC000895106476 583589872 /nfs/dbraw/zinc/58/98/72/583589872.db2.gz XIMIORUKZIYKSH-UWVGGRQHSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)o1 ZINC000895114552 583591728 /nfs/dbraw/zinc/59/17/28/583591728.db2.gz MONPYARXOMRCJG-OUAUKWLOSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)o1 ZINC000895114552 583591729 /nfs/dbraw/zinc/59/17/29/583591729.db2.gz MONPYARXOMRCJG-OUAUKWLOSA-N 1 2 236.315 1.685 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccncc1 ZINC000895115830 583591792 /nfs/dbraw/zinc/59/17/92/583591792.db2.gz QIKLDHNWYRDBNX-HBNTYKKESA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccncc1 ZINC000895115830 583591793 /nfs/dbraw/zinc/59/17/93/583591793.db2.gz QIKLDHNWYRDBNX-HBNTYKKESA-N 1 2 233.315 1.179 20 0 BDADLO Cc1occc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895120982 583595503 /nfs/dbraw/zinc/59/55/03/583595503.db2.gz OFCDCQXXYGBIBT-KXUCPTDWSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1occc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895120982 583595504 /nfs/dbraw/zinc/59/55/04/583595504.db2.gz OFCDCQXXYGBIBT-KXUCPTDWSA-N 1 2 236.315 1.685 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1F ZINC000895134290 583601886 /nfs/dbraw/zinc/60/18/86/583601886.db2.gz ZMMHLDWDQVALIZ-RNCFNFMXSA-N 1 2 249.289 1.761 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@H](CO)CC2)c1C ZINC000882404733 583615109 /nfs/dbraw/zinc/61/51/09/583615109.db2.gz JWBJCXHLAZLLRL-LBPRGKRZSA-N 1 2 235.331 1.692 20 0 BDADLO F[C@@H]1CCC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC000895191786 583621966 /nfs/dbraw/zinc/62/19/66/583621966.db2.gz SDZPBZNZCRAWPQ-SNVBAGLBSA-N 1 2 239.294 1.347 20 0 BDADLO F[C@@H]1CCC[N@@H+](Cc2cnc3n2CCOC3)C1 ZINC000895191786 583621967 /nfs/dbraw/zinc/62/19/67/583621967.db2.gz SDZPBZNZCRAWPQ-SNVBAGLBSA-N 1 2 239.294 1.347 20 0 BDADLO FCCn1cc(C[NH+]2CC3(CC3(F)F)C2)cn1 ZINC000895200127 583624236 /nfs/dbraw/zinc/62/42/36/583624236.db2.gz NNQMAZMZQBQIRI-UHFFFAOYSA-N 1 2 245.248 1.694 20 0 BDADLO CN(c1nccn2c[nH+]cc12)[C@@H]1CCC[C@H]1O ZINC000895201409 583624660 /nfs/dbraw/zinc/62/46/60/583624660.db2.gz CVMASGOIVSMCDG-MWLCHTKSSA-N 1 2 232.287 1.079 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1nccn1C ZINC000857772903 588911100 /nfs/dbraw/zinc/91/11/00/588911100.db2.gz BEEIPMHVBDSFPK-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1C ZINC000895275819 583635344 /nfs/dbraw/zinc/63/53/44/583635344.db2.gz PQTZCPKZKDCYOQ-DGCLKSJQSA-N 1 2 235.331 1.495 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1C ZINC000895275819 583635345 /nfs/dbraw/zinc/63/53/45/583635345.db2.gz PQTZCPKZKDCYOQ-DGCLKSJQSA-N 1 2 235.331 1.495 20 0 BDADLO CC1=NO[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000895312589 583648628 /nfs/dbraw/zinc/64/86/28/583648628.db2.gz YZVUZMCZGVGURR-SECBINFHSA-N 1 2 211.290 1.398 20 0 BDADLO CC1=NO[C@H](C[NH2+]Cc2cscn2)C1 ZINC000895312590 583648845 /nfs/dbraw/zinc/64/88/45/583648845.db2.gz YZVUZMCZGVGURR-VIFPVBQESA-N 1 2 211.290 1.398 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC3(COC3)C2)c1C ZINC000895336905 583653726 /nfs/dbraw/zinc/65/37/26/583653726.db2.gz YFKIJTMZTZAAOX-UHFFFAOYSA-N 1 2 221.304 1.249 20 0 BDADLO CCn1cc(C[NH2+]Cc2cn(CC)nc2C)nn1 ZINC000895358327 583658561 /nfs/dbraw/zinc/65/85/61/583658561.db2.gz RQJHPSJQQMENAG-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO C[N@H+](CCC(C)(C)C1CC1)C1CS(=O)(=O)C1 ZINC000895399876 583665699 /nfs/dbraw/zinc/66/56/99/583665699.db2.gz WIMNXNBMNLQVJQ-UHFFFAOYSA-N 1 2 245.388 1.542 20 0 BDADLO C[N@@H+](CCC(C)(C)C1CC1)C1CS(=O)(=O)C1 ZINC000895399876 583665701 /nfs/dbraw/zinc/66/57/01/583665701.db2.gz WIMNXNBMNLQVJQ-UHFFFAOYSA-N 1 2 245.388 1.542 20 0 BDADLO COCC(C)(C)C[N@@H+]1CC[C@@H]1C(F)F ZINC000895433093 583671481 /nfs/dbraw/zinc/67/14/81/583671481.db2.gz TXWPEIXUIZNNSF-MRVPVSSYSA-N 1 2 207.264 1.998 20 0 BDADLO COCC(C)(C)C[N@H+]1CC[C@@H]1C(F)F ZINC000895433093 583671483 /nfs/dbraw/zinc/67/14/83/583671483.db2.gz TXWPEIXUIZNNSF-MRVPVSSYSA-N 1 2 207.264 1.998 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C(F)=C1CCC1 ZINC000857885556 588920447 /nfs/dbraw/zinc/92/04/47/588920447.db2.gz VPYBZDKBSBWFBQ-SECBINFHSA-N 1 2 235.262 1.332 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000895467572 583679004 /nfs/dbraw/zinc/67/90/04/583679004.db2.gz FFZGOWKCDGMQPO-ILWJIGKKSA-N 1 2 234.303 1.018 20 0 BDADLO COC(=O)CC1CC(Nc2cc[nH+]cc2F)C1 ZINC000895497516 583681202 /nfs/dbraw/zinc/68/12/02/583681202.db2.gz BMHDSMDTTBCDOS-UHFFFAOYSA-N 1 2 238.262 1.396 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000857890161 588921131 /nfs/dbraw/zinc/92/11/31/588921131.db2.gz QXJGGVCUDYKSPV-JLXPVPGKSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887802 588921212 /nfs/dbraw/zinc/92/12/12/588921212.db2.gz OWQZABKMGZYXHN-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO CCn1cc(C[NH+]2CC(CC3CC3)C2)nn1 ZINC000895516527 583683556 /nfs/dbraw/zinc/68/35/56/583683556.db2.gz UCMHZNBAIUOBEG-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888493 588921272 /nfs/dbraw/zinc/92/12/72/588921272.db2.gz VKZKNUZKERRMIF-FWAPLPHYSA-N 1 2 219.288 1.280 20 0 BDADLO C/C(=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887602 588921421 /nfs/dbraw/zinc/92/14/21/588921421.db2.gz MZVZGHHKIZPVFT-VKJYCEFSSA-N 1 2 231.299 1.280 20 0 BDADLO C/C(=C/C(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886673 588921429 /nfs/dbraw/zinc/92/14/29/588921429.db2.gz HLYQFFNAJQRKCA-YAEJEKNGSA-N 1 2 247.342 1.916 20 0 BDADLO C/C(=C\C(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886670 588921436 /nfs/dbraw/zinc/92/14/36/588921436.db2.gz HLYQFFNAJQRKCA-CDCCAWJDSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1cc(N[C@H]2CCNC(=O)CC2)c[nH+]c1C ZINC000895646938 583698732 /nfs/dbraw/zinc/69/87/32/583698732.db2.gz YWHBWRAEHASQGS-LLVKDONJSA-N 1 2 233.315 1.779 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000895646512 583698813 /nfs/dbraw/zinc/69/88/13/583698813.db2.gz WBFUPGWFSIKBNO-BXKDBHETSA-N 1 2 221.304 1.100 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000895646512 583698815 /nfs/dbraw/zinc/69/88/15/583698815.db2.gz WBFUPGWFSIKBNO-BXKDBHETSA-N 1 2 221.304 1.100 20 0 BDADLO O=c1ccc(C[N@@H+]2CCc3ncncc3C2)c[nH]1 ZINC000895723362 583712859 /nfs/dbraw/zinc/71/28/59/583712859.db2.gz FXWSPBVBODROKP-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO O=c1ccc(C[N@H+]2CCc3ncncc3C2)c[nH]1 ZINC000895723362 583712861 /nfs/dbraw/zinc/71/28/61/583712861.db2.gz FXWSPBVBODROKP-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO Cn1cccc1C[NH2+]Cc1nc(C(F)F)no1 ZINC000895729081 583713465 /nfs/dbraw/zinc/71/34/65/583713465.db2.gz KWXAVVZPHMMCIQ-UHFFFAOYSA-N 1 2 242.229 1.636 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)CC(C)(C)C)[C@@H](C)O ZINC000895743917 583715942 /nfs/dbraw/zinc/71/59/42/583715942.db2.gz QCMHGIIOUTWNDL-BBBLOLIVSA-N 1 2 231.336 1.323 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)nn1 ZINC000895746864 583716340 /nfs/dbraw/zinc/71/63/40/583716340.db2.gz QMUXDJKVUVHGON-WDEREUQCSA-N 1 2 226.299 1.668 20 0 BDADLO Cc1nc(C[NH2+]C2(C)COC2)sc1C ZINC000895752961 583720021 /nfs/dbraw/zinc/72/00/21/583720021.db2.gz FAKBLXSTPDLNAM-UHFFFAOYSA-N 1 2 212.318 1.638 20 0 BDADLO Fc1c[nH+]ccc1N[C@H](c1ncccn1)C1CC1 ZINC000895775615 583725925 /nfs/dbraw/zinc/72/59/25/583725925.db2.gz QXONVHXSJRKYAF-LBPRGKRZSA-N 1 2 244.273 1.996 20 0 BDADLO CCCSC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC000895811101 583730732 /nfs/dbraw/zinc/73/07/32/583730732.db2.gz DXSVQHPWLKGOEP-BDAKNGLRSA-N 1 2 217.334 1.423 20 0 BDADLO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCOC1=O ZINC000895806788 583731986 /nfs/dbraw/zinc/73/19/86/583731986.db2.gz DUVOLZJZRXDPBQ-CABZTGNLSA-N 1 2 235.283 1.228 20 0 BDADLO C/C=C(\C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963698 588925714 /nfs/dbraw/zinc/92/57/14/588925714.db2.gz YMUWUFYQKGZSLY-RZCNENHTSA-N 1 2 219.288 1.280 20 0 BDADLO O=C(/C=C\C1CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963223 588925908 /nfs/dbraw/zinc/92/59/08/588925908.db2.gz RDAXIKDQKIAULF-BYCRGOAPSA-N 1 2 231.299 1.280 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000895961504 583751019 /nfs/dbraw/zinc/75/10/19/583751019.db2.gz BCOLDEKYHCULCC-AWEZNQCLSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000895961504 583751021 /nfs/dbraw/zinc/75/10/21/583751021.db2.gz BCOLDEKYHCULCC-AWEZNQCLSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@@H]1CN(Cc2[nH]cc(C(C)C)[nH+]2)CCO1 ZINC000895961838 583751025 /nfs/dbraw/zinc/75/10/25/583751025.db2.gz FOBFTJUBRTULSJ-LBPRGKRZSA-N 1 2 239.319 1.338 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000895961540 583751216 /nfs/dbraw/zinc/75/12/16/583751216.db2.gz CBFBFUXJHJYSNY-LLVKDONJSA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000895961540 583751217 /nfs/dbraw/zinc/75/12/17/583751217.db2.gz CBFBFUXJHJYSNY-LLVKDONJSA-N 1 2 211.261 1.393 20 0 BDADLO CCc1nocc1C[NH+]1CC(OC(C)C)C1 ZINC000895955851 583752505 /nfs/dbraw/zinc/75/25/05/583752505.db2.gz WGENYTCKPSFONZ-UHFFFAOYSA-N 1 2 224.304 1.846 20 0 BDADLO Cc1ccc(O)c(C[NH+]2CC(OC(C)C)C2)n1 ZINC000895955819 583752696 /nfs/dbraw/zinc/75/26/96/583752696.db2.gz VHSWBFSXHQDJDG-UHFFFAOYSA-N 1 2 236.315 1.705 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1=CCCCC1 ZINC000857977411 588926555 /nfs/dbraw/zinc/92/65/55/588926555.db2.gz DMECSCUXFSTHCT-NSHDSACASA-N 1 2 231.299 1.945 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc3cccnc3o2)CCO1 ZINC000895963204 583754141 /nfs/dbraw/zinc/75/41/41/583754141.db2.gz MZSMXBICYGANOQ-LBPRGKRZSA-N 1 2 248.282 1.633 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc3cccnc3o2)CCO1 ZINC000895963204 583754142 /nfs/dbraw/zinc/75/41/42/583754142.db2.gz MZSMXBICYGANOQ-LBPRGKRZSA-N 1 2 248.282 1.633 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(F)cn1 ZINC000857978656 588926666 /nfs/dbraw/zinc/92/66/66/588926666.db2.gz PRIFJKPENHHRCM-VIFPVBQESA-N 1 2 246.245 1.292 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(F)cn1 ZINC000857978655 588926789 /nfs/dbraw/zinc/92/67/89/588926789.db2.gz PRIFJKPENHHRCM-SECBINFHSA-N 1 2 246.245 1.292 20 0 BDADLO COCC1C[NH+](Cc2ccoc2C(=O)OC)C1 ZINC000895970751 583756160 /nfs/dbraw/zinc/75/61/60/583756160.db2.gz INHNQRZRLZNDBL-UHFFFAOYSA-N 1 2 239.271 1.144 20 0 BDADLO COCC1C[NH+](Cc2nnc(C3CC3)s2)C1 ZINC000895975431 583756743 /nfs/dbraw/zinc/75/67/43/583756743.db2.gz XONBJENZCGVKBS-UHFFFAOYSA-N 1 2 239.344 1.494 20 0 BDADLO Cc1coc(C)c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978994 588927190 /nfs/dbraw/zinc/92/71/90/588927190.db2.gz RWAPNIOHAWCXQA-SNVBAGLBSA-N 1 2 245.282 1.968 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980163 588927451 /nfs/dbraw/zinc/92/74/51/588927451.db2.gz JGQRKASFHUKJOO-NXEZZACHSA-N 1 2 237.303 1.259 20 0 BDADLO CSC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857979172 588927556 /nfs/dbraw/zinc/92/75/56/588927556.db2.gz NSSSZDGTELRUHC-QMMMGPOBSA-N 1 2 237.328 1.340 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C)C2)c[nH+]1 ZINC000896050166 583766361 /nfs/dbraw/zinc/76/63/61/583766361.db2.gz YGSWHPDLPQYFOE-SNVBAGLBSA-N 1 2 235.331 1.795 20 0 BDADLO COC1(CC(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857979412 588927626 /nfs/dbraw/zinc/92/76/26/588927626.db2.gz OIAXWOJEYFLBJW-SNVBAGLBSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCCCO1 ZINC000857980585 588927648 /nfs/dbraw/zinc/92/76/48/588927648.db2.gz LWGVKQZOWMEEAA-KOLCDFICSA-N 1 2 235.287 1.013 20 0 BDADLO COCC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980145 588927670 /nfs/dbraw/zinc/92/76/70/588927670.db2.gz IRJCTYHOJUNXEQ-SECBINFHSA-N 1 2 237.303 1.117 20 0 BDADLO CCc1nc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc[nH+]1 ZINC000896087340 583769217 /nfs/dbraw/zinc/76/92/17/583769217.db2.gz DZDVYIOHXZPYMM-MXWKQRLJSA-N 1 2 249.314 1.255 20 0 BDADLO CO[C@@H](C)CCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981969 588927924 /nfs/dbraw/zinc/92/79/24/588927924.db2.gz KMCGEISIUYLNJV-UWVGGRQHSA-N 1 2 237.303 1.259 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H](O)C2CCC2)n1 ZINC000896164089 583776700 /nfs/dbraw/zinc/77/67/00/583776700.db2.gz GAEGJEAWIGXUDX-LLVKDONJSA-N 1 2 248.286 1.227 20 0 BDADLO Cc1cccnc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984400 588928688 /nfs/dbraw/zinc/92/86/88/588928688.db2.gz ZSEFKVQGWXUDML-JTQLQIEISA-N 1 2 242.282 1.461 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cscn1 ZINC000857983361 588928700 /nfs/dbraw/zinc/92/87/00/588928700.db2.gz QFGFPTMZUGKIJS-SSDOTTSWSA-N 1 2 234.284 1.214 20 0 BDADLO C/C=C(\C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984855 588928738 /nfs/dbraw/zinc/92/87/38/588928738.db2.gz FILBFBLQZNOEGJ-IPQKIJNHSA-N 1 2 205.261 1.410 20 0 BDADLO Cc1nc(N[C@H]2CCS[C@H](C)C2)nc(N)[nH+]1 ZINC000896250582 583786351 /nfs/dbraw/zinc/78/63/51/583786351.db2.gz SJFQGRCSISWERU-SVRRBLITSA-N 1 2 239.348 1.458 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCS[C@H](C)C2)[nH+]1 ZINC000896250582 583786353 /nfs/dbraw/zinc/78/63/53/583786353.db2.gz SJFQGRCSISWERU-SVRRBLITSA-N 1 2 239.348 1.458 20 0 BDADLO Cc1ocnc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985876 588929296 /nfs/dbraw/zinc/92/92/96/588929296.db2.gz QOIYLUZJENZEHZ-MRVPVSSYSA-N 1 2 232.243 1.054 20 0 BDADLO Cc1ocnc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985877 588929341 /nfs/dbraw/zinc/92/93/41/588929341.db2.gz QOIYLUZJENZEHZ-QMMMGPOBSA-N 1 2 232.243 1.054 20 0 BDADLO CCOC(=O)[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000896266762 583787959 /nfs/dbraw/zinc/78/79/59/583787959.db2.gz VYBHYWUPTGNIIW-SNVBAGLBSA-N 1 2 235.287 1.174 20 0 BDADLO Cc1ncoc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000896321501 583790131 /nfs/dbraw/zinc/79/01/31/583790131.db2.gz QTQGALQIFRNDCM-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc[nH+]1 ZINC000896359820 583797227 /nfs/dbraw/zinc/79/72/27/583797227.db2.gz XNYGYHXHOJYCJM-RTCCRHLQSA-N 1 2 249.314 1.879 20 0 BDADLO CCCOCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997933 588930366 /nfs/dbraw/zinc/93/03/66/588930366.db2.gz VPRJHBSATYMEPR-UHFFFAOYSA-N 1 2 249.314 1.575 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(C2CC2)CC1 ZINC000896497520 583807229 /nfs/dbraw/zinc/80/72/29/583807229.db2.gz LZWFWCRUHLCMNJ-UHFFFAOYSA-N 1 2 205.261 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(C2CC2)CC1 ZINC000896497520 583807232 /nfs/dbraw/zinc/80/72/32/583807232.db2.gz LZWFWCRUHLCMNJ-UHFFFAOYSA-N 1 2 205.261 1.216 20 0 BDADLO C[C@H](Cc1nc(-c2cn[nH]c2)no1)n1cc[nH+]c1 ZINC000896550203 583810376 /nfs/dbraw/zinc/81/03/76/583810376.db2.gz RUMSNPAIQSLHGC-MRVPVSSYSA-N 1 2 244.258 1.460 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@@H](C)CC2)nn1 ZINC000896579451 583814794 /nfs/dbraw/zinc/81/47/94/583814794.db2.gz PANIRDLAESFHMY-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@@H](C)CC2)nn1 ZINC000896579451 583814796 /nfs/dbraw/zinc/81/47/96/583814796.db2.gz PANIRDLAESFHMY-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCc1nc(NCc2cncc(O)c2)cc[nH+]1 ZINC000896632562 583818600 /nfs/dbraw/zinc/81/86/00/583818600.db2.gz QMGAQZMWOOZXEI-UHFFFAOYSA-N 1 2 230.271 1.752 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nc(C)ns1)C2 ZINC000896651744 583821039 /nfs/dbraw/zinc/82/10/39/583821039.db2.gz XNAGWAFAQNGBKR-UHFFFAOYSA-N 1 2 249.343 1.626 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](CO)C2)nc[nH+]1 ZINC000896690385 583822545 /nfs/dbraw/zinc/82/25/45/583822545.db2.gz OXIVPVVLPFWSBU-CZMCAQCFSA-N 1 2 207.277 1.222 20 0 BDADLO CSC1(c2noc(Cn3cc[nH+]c3)n2)CC1 ZINC000896781345 583832677 /nfs/dbraw/zinc/83/26/77/583832677.db2.gz ONIKIMOUTXFONE-UHFFFAOYSA-N 1 2 236.300 1.667 20 0 BDADLO Cc1ccoc1CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907169 583851655 /nfs/dbraw/zinc/85/16/55/583851655.db2.gz ITZSTHPAXAGQNK-UHFFFAOYSA-N 1 2 247.298 1.787 20 0 BDADLO Cc1[nH]c(CNC(=O)C2CSC2)[nH+]c1C ZINC000896908319 583851960 /nfs/dbraw/zinc/85/19/60/583851960.db2.gz ZIYMAGVRMBRVHP-UHFFFAOYSA-N 1 2 225.317 1.006 20 0 BDADLO CC[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)[C@H](C)O ZINC000896910959 583853008 /nfs/dbraw/zinc/85/30/08/583853008.db2.gz IAGONADBZHNEJA-VHSXEESVSA-N 1 2 239.319 1.050 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cnnc(C)c2)[nH+]c1C ZINC000896911462 583853168 /nfs/dbraw/zinc/85/31/68/583853168.db2.gz URISPCODDVCMFM-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO CCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000896916234 583854915 /nfs/dbraw/zinc/85/49/15/583854915.db2.gz VLBAKBNZLLLCSJ-UHFFFAOYSA-N 1 2 221.304 1.833 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@]2(C)CCCO2)[nH+]c1C ZINC000896917355 583854952 /nfs/dbraw/zinc/85/49/52/583854952.db2.gz VUOVYBIUMMZKLF-LBPRGKRZSA-N 1 2 237.303 1.212 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cc[nH]c(=O)c2)[nH+]c1C ZINC000896917529 583855455 /nfs/dbraw/zinc/85/54/55/583855455.db2.gz YVZNYHRTPVLIQK-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896916938 583855498 /nfs/dbraw/zinc/85/54/98/583855498.db2.gz UUYMTASBCAFBJH-SECBINFHSA-N 1 2 241.360 1.784 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CC23CCC3)[nH+]c1C ZINC000896917371 583855612 /nfs/dbraw/zinc/85/56/12/583855612.db2.gz WDFGXUYZNJLUPW-SNVBAGLBSA-N 1 2 233.315 1.833 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccncc2F)[nH+]c1C ZINC000896919616 583856121 /nfs/dbraw/zinc/85/61/21/583856121.db2.gz VAEBDHPVJJKMCK-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO CONC(=O)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000896924828 583857301 /nfs/dbraw/zinc/85/73/01/583857301.db2.gz OZVYLFBCKZLLIQ-UHFFFAOYSA-N 1 2 238.331 1.677 20 0 BDADLO CC[C@H](OC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920372 583857742 /nfs/dbraw/zinc/85/77/42/583857742.db2.gz DAQHMNUSONZSNK-VIFPVBQESA-N 1 2 225.292 1.068 20 0 BDADLO CONC(=O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000896927680 583859476 /nfs/dbraw/zinc/85/94/76/583859476.db2.gz UCMKYXYFXVUTCC-UHFFFAOYSA-N 1 2 234.299 1.200 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccccn2)[nH+]c1C ZINC000896929073 583860051 /nfs/dbraw/zinc/86/00/51/583860051.db2.gz CFEUKYYSTHQVOV-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CONC(=O)C[NH2+]CCCC1CCCCC1 ZINC000896926917 583860100 /nfs/dbraw/zinc/86/01/00/583860100.db2.gz MBYYSYZLJCQGLQ-UHFFFAOYSA-N 1 2 228.336 1.614 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)no1 ZINC000896930201 583860581 /nfs/dbraw/zinc/86/05/81/583860581.db2.gz XDSACBJSSNYWSF-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO COCC1(c2noc(C3([NH+](C)C)CC3)n2)CC1 ZINC000897054266 583874788 /nfs/dbraw/zinc/87/47/88/583874788.db2.gz HUAQFJJDDYYUQL-UHFFFAOYSA-N 1 2 237.303 1.298 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897072297 583878209 /nfs/dbraw/zinc/87/82/09/583878209.db2.gz JRWHRZDTJDREBT-TWXYISROSA-N 1 2 232.283 1.678 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000897143147 583883247 /nfs/dbraw/zinc/88/32/47/583883247.db2.gz ZAFXJRUXGNAIDC-WDEREUQCSA-N 1 2 248.330 1.665 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000897143147 583883248 /nfs/dbraw/zinc/88/32/48/583883248.db2.gz ZAFXJRUXGNAIDC-WDEREUQCSA-N 1 2 248.330 1.665 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1ccccn1 ZINC000336566928 583903060 /nfs/dbraw/zinc/90/30/60/583903060.db2.gz QXLXFTQCQUBWPB-UHFFFAOYSA-N 1 2 231.259 1.137 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000143336601 583913583 /nfs/dbraw/zinc/91/35/83/583913583.db2.gz KLBJNCJNRBDZPQ-JTQLQIEISA-N 1 2 237.299 1.822 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c[nH+]1 ZINC000889593931 584023719 /nfs/dbraw/zinc/02/37/19/584023719.db2.gz RPTBCVUKOCRHBN-LPEHRKFASA-N 1 2 219.288 1.637 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC(C)(C)C2)c[nH+]1 ZINC000897604397 584027392 /nfs/dbraw/zinc/02/73/92/584027392.db2.gz NZAHXNQQNHNDTR-UHFFFAOYSA-N 1 2 235.331 1.795 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1O ZINC000897678785 584036184 /nfs/dbraw/zinc/03/61/84/584036184.db2.gz FDKDDUNAYFWEOI-XVKPBYJWSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1O ZINC000897678785 584036185 /nfs/dbraw/zinc/03/61/85/584036185.db2.gz FDKDDUNAYFWEOI-XVKPBYJWSA-N 1 2 245.244 1.917 20 0 BDADLO CCc1nc(OC)ccc1NCc1[nH+]ccn1C ZINC000897712049 584042715 /nfs/dbraw/zinc/04/27/15/584042715.db2.gz WOMTVGMRUOYLGB-UHFFFAOYSA-N 1 2 246.314 1.998 20 0 BDADLO Cc1ccccc1C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897753464 584044060 /nfs/dbraw/zinc/04/40/60/584044060.db2.gz PCFHSHUDVDSBGE-UHFFFAOYSA-N 1 2 246.310 1.679 20 0 BDADLO CCC[C@@H](NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000897834294 584052780 /nfs/dbraw/zinc/05/27/80/584052780.db2.gz MAZSQDOMNAYVPU-SECBINFHSA-N 1 2 225.292 1.149 20 0 BDADLO Cn1nncc1C[NH2+][C@H]1CCCc2scnc21 ZINC000858418311 588952810 /nfs/dbraw/zinc/95/28/10/588952810.db2.gz PSFITQRGPKRZMO-VIFPVBQESA-N 1 2 249.343 1.439 20 0 BDADLO Clc1cc2c(nc[nH+]c2NCC2COC2)[nH]1 ZINC000865971449 584056145 /nfs/dbraw/zinc/05/61/45/584056145.db2.gz ARPICPAQWKZGFF-UHFFFAOYSA-N 1 2 238.678 1.670 20 0 BDADLO COC1(C(F)(F)F)C[NH+](CC2CC2)C1 ZINC000897879941 584057212 /nfs/dbraw/zinc/05/72/12/584057212.db2.gz MRTMECHPAKADIR-UHFFFAOYSA-N 1 2 209.211 1.660 20 0 BDADLO CO[C@@H](C[NH2+]C1(c2nc(C)no2)CC1)C1CC1 ZINC000897896427 584058749 /nfs/dbraw/zinc/05/87/49/584058749.db2.gz XDANERZAAQDVCM-JTQLQIEISA-N 1 2 237.303 1.382 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cn(C)cn2)s1 ZINC000898045832 584073606 /nfs/dbraw/zinc/07/36/06/584073606.db2.gz URMIXOFOPCCHIO-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCc3cccnc32)c1 ZINC000898042439 584080366 /nfs/dbraw/zinc/08/03/66/584080366.db2.gz QSMUQCFPPTUGIZ-LBPRGKRZSA-N 1 2 228.299 1.592 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1nccnc1F ZINC000858450854 588956136 /nfs/dbraw/zinc/95/61/36/588956136.db2.gz NNZKXFXYEXBKMJ-UHFFFAOYSA-N 1 2 235.266 1.339 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c(C)n1 ZINC000898184352 584093202 /nfs/dbraw/zinc/09/32/02/584093202.db2.gz SRVKBHGBHRXBQX-RYUDHWBXSA-N 1 2 241.310 1.116 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c(C)n1 ZINC000898184352 584093203 /nfs/dbraw/zinc/09/32/03/584093203.db2.gz SRVKBHGBHRXBQX-RYUDHWBXSA-N 1 2 241.310 1.116 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC000898194364 584096172 /nfs/dbraw/zinc/09/61/72/584096172.db2.gz YDOBTNWGDSMLGQ-WCQYABFASA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC000898194364 584096173 /nfs/dbraw/zinc/09/61/73/584096173.db2.gz YDOBTNWGDSMLGQ-WCQYABFASA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC000898194362 584096531 /nfs/dbraw/zinc/09/65/31/584096531.db2.gz YDOBTNWGDSMLGQ-AAEUAGOBSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC000898194362 584096533 /nfs/dbraw/zinc/09/65/33/584096533.db2.gz YDOBTNWGDSMLGQ-AAEUAGOBSA-N 1 2 249.289 1.239 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC=C(Cl)C1 ZINC000898197565 584097674 /nfs/dbraw/zinc/09/76/74/584097674.db2.gz TWEHDCTWAJWQLW-UHFFFAOYSA-N 1 2 239.706 1.697 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC=C(Cl)C1 ZINC000898197565 584097675 /nfs/dbraw/zinc/09/76/75/584097675.db2.gz TWEHDCTWAJWQLW-UHFFFAOYSA-N 1 2 239.706 1.697 20 0 BDADLO CCc1cc(N[C@H](C)c2ccnn2C)nc[nH+]1 ZINC000866252348 584116938 /nfs/dbraw/zinc/11/69/38/584116938.db2.gz XPKKWYHELGYBFX-SECBINFHSA-N 1 2 231.303 1.946 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1ncc[nH]1 ZINC000866475388 584119492 /nfs/dbraw/zinc/11/94/92/584119492.db2.gz XVABJACIUZBLCE-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO Cc1cnc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)o1 ZINC000898463828 584138862 /nfs/dbraw/zinc/13/88/62/584138862.db2.gz YLYJCJSGBWQVET-GXFFZTMASA-N 1 2 249.314 1.274 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898488990 584139696 /nfs/dbraw/zinc/13/96/96/584139696.db2.gz LGBDOIRYFSDUSM-ZJUUUORDSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898488990 584139697 /nfs/dbraw/zinc/13/96/97/584139697.db2.gz LGBDOIRYFSDUSM-ZJUUUORDSA-N 1 2 248.367 1.288 20 0 BDADLO CC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898495187 584139953 /nfs/dbraw/zinc/13/99/53/584139953.db2.gz JQTFOQZQKFZCDR-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO CC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898495187 584139954 /nfs/dbraw/zinc/13/99/54/584139954.db2.gz JQTFOQZQKFZCDR-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO CCC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898493879 584140137 /nfs/dbraw/zinc/14/01/37/584140137.db2.gz AWPBFQJUCMKWCP-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO CCC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898493879 584140138 /nfs/dbraw/zinc/14/01/38/584140138.db2.gz AWPBFQJUCMKWCP-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CC23CCCC3)c1 ZINC000898620739 584147893 /nfs/dbraw/zinc/14/78/93/584147893.db2.gz SNRGYRNTJZJKQV-LLVKDONJSA-N 1 2 248.330 1.552 20 0 BDADLO CC(C)(CNC(=O)C1CC=CC1)n1cc[nH+]c1 ZINC000898904318 584165037 /nfs/dbraw/zinc/16/50/37/584165037.db2.gz SRVWAPGZCXRYAL-UHFFFAOYSA-N 1 2 233.315 1.701 20 0 BDADLO CC(C)[C@H](F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898905941 584165160 /nfs/dbraw/zinc/16/51/60/584165160.db2.gz IZYXKQMTBRJGQL-JTQLQIEISA-N 1 2 241.310 1.729 20 0 BDADLO CC(C)(CNC(=O)[C@H]1CC12CCC2)n1cc[nH+]c1 ZINC000898904786 584165288 /nfs/dbraw/zinc/16/52/88/584165288.db2.gz JSPHWNGVJJIBMG-LLVKDONJSA-N 1 2 247.342 1.925 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898893561 584165540 /nfs/dbraw/zinc/16/55/40/584165540.db2.gz MKRLGLKFWQPYOY-VHSXEESVSA-N 1 2 221.304 1.390 20 0 BDADLO CCON(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000899187702 584179643 /nfs/dbraw/zinc/17/96/43/584179643.db2.gz GJXHSJVQSAFDHT-UHFFFAOYSA-N 1 2 239.319 1.727 20 0 BDADLO CC(C)CCC1=NN(C2CC[NH2+]CC2)C(=O)C1 ZINC000899364385 584205453 /nfs/dbraw/zinc/20/54/53/584205453.db2.gz TWCPUDZFASQKSQ-UHFFFAOYSA-N 1 2 237.347 1.763 20 0 BDADLO CCn1c[nH+]c(C=Cc2ncc(OC)c(=O)[nH]2)c1 ZINC000899379407 584209105 /nfs/dbraw/zinc/20/91/05/584209105.db2.gz YMVUVAUBMSMYPY-PLNGDYQASA-N 1 2 246.270 1.578 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC3(CCC3)CO2)c[nH+]1 ZINC000899427573 584215248 /nfs/dbraw/zinc/21/52/48/584215248.db2.gz NOOZAONAOWXYQP-SNVBAGLBSA-N 1 2 249.314 1.407 20 0 BDADLO C[C@H]1C[C@@H](Nc2nccnc2F)c2[nH+]ccn21 ZINC000858563544 588966376 /nfs/dbraw/zinc/96/63/76/588966376.db2.gz XAGJTVKSYLPXPB-JGVFFNPUSA-N 1 2 233.250 1.930 20 0 BDADLO CN(CCCF)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000899811145 584238567 /nfs/dbraw/zinc/23/85/67/584238567.db2.gz IGKURNLIVMVSHE-JTQLQIEISA-N 1 2 239.294 1.264 20 0 BDADLO Cc1[nH+]c2ccccc2n1C[C@H](O)C1(O)CCC1 ZINC000899855513 584243472 /nfs/dbraw/zinc/24/34/72/584243472.db2.gz GIYPITFCEGQTFE-ZDUSSCGKSA-N 1 2 246.310 1.621 20 0 BDADLO CC(C)OC1C[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC000899901259 584250212 /nfs/dbraw/zinc/25/02/12/584250212.db2.gz HFSNCMJYMYBABB-QMMMGPOBSA-N 1 2 241.253 1.409 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C2CCC1CC2 ZINC000900066522 584270778 /nfs/dbraw/zinc/27/07/78/584270778.db2.gz SVQLGEAUEXONOK-UHFFFAOYSA-N 1 2 205.261 1.106 20 0 BDADLO CCC[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c32)C1=O ZINC000900112765 584274240 /nfs/dbraw/zinc/27/42/40/584274240.db2.gz LMPISQXZHFMATK-DTWKUNHWSA-N 1 2 248.286 1.048 20 0 BDADLO C/C=C/[C@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000900322423 584294795 /nfs/dbraw/zinc/29/47/95/584294795.db2.gz ISSZLMJRCRDTBG-RWCYGVJQSA-N 1 2 235.287 1.023 20 0 BDADLO Cc1cc(CNC(=O)CNc2cccc[nH+]2)no1 ZINC000900368448 584297839 /nfs/dbraw/zinc/29/78/39/584297839.db2.gz FZMTXIRAEWCMHD-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900417951 584306503 /nfs/dbraw/zinc/30/65/03/584306503.db2.gz SFXIEQVFHVUXJG-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CCCO1 ZINC000900525377 584318731 /nfs/dbraw/zinc/31/87/31/584318731.db2.gz DVWGWHGKMSIIPJ-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CN(CC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900515454 584320992 /nfs/dbraw/zinc/32/09/92/584320992.db2.gz OEYYNKAXAYGNHX-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO COC(=O)C1=CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000858689603 588974416 /nfs/dbraw/zinc/97/44/16/588974416.db2.gz HSDHEYXIAGPEID-SNVBAGLBSA-N 1 2 218.256 1.755 20 0 BDADLO COCc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000900545362 584325033 /nfs/dbraw/zinc/32/50/33/584325033.db2.gz YHZFVGPGLWENJT-UHFFFAOYSA-N 1 2 218.260 1.176 20 0 BDADLO O=C(CCF)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900561947 584325244 /nfs/dbraw/zinc/32/52/44/584325244.db2.gz ISBPWILUWGXQPS-SNVBAGLBSA-N 1 2 225.267 1.406 20 0 BDADLO CN(CC(F)F)C(=O)CNc1cccc[nH+]1 ZINC000900565948 584325577 /nfs/dbraw/zinc/32/55/77/584325577.db2.gz LLDGRZVFKDYTFW-UHFFFAOYSA-N 1 2 229.230 1.217 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900672633 584339651 /nfs/dbraw/zinc/33/96/51/584339651.db2.gz OSIJAJFCNUXVJS-FYJFLYSWSA-N 1 2 234.299 1.468 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000900698074 584340079 /nfs/dbraw/zinc/34/00/79/584340079.db2.gz JBVMKXMSJODAIF-JFGNBEQYSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000900698074 584340081 /nfs/dbraw/zinc/34/00/81/584340081.db2.gz JBVMKXMSJODAIF-JFGNBEQYSA-N 1 2 235.331 1.893 20 0 BDADLO C/C(=C(/F)C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000900780079 584350365 /nfs/dbraw/zinc/35/03/65/584350365.db2.gz HZXOVLKGSPODJN-YFHOEESVSA-N 1 2 223.251 1.679 20 0 BDADLO CC(=C(F)C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000900780079 584350367 /nfs/dbraw/zinc/35/03/67/584350367.db2.gz HZXOVLKGSPODJN-YFHOEESVSA-N 1 2 223.251 1.679 20 0 BDADLO CS[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900862392 584358614 /nfs/dbraw/zinc/35/86/14/584358614.db2.gz HCCSAVZNUZUZOY-WPRPVWTQSA-N 1 2 239.344 1.353 20 0 BDADLO CS[C@H]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900862392 584358615 /nfs/dbraw/zinc/35/86/15/584358615.db2.gz HCCSAVZNUZUZOY-WPRPVWTQSA-N 1 2 239.344 1.353 20 0 BDADLO CCCn1cc(NC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900860405 584358635 /nfs/dbraw/zinc/35/86/35/584358635.db2.gz RJOIVJCQWUWZEN-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCCn1cc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900860405 584358636 /nfs/dbraw/zinc/35/86/36/584358636.db2.gz RJOIVJCQWUWZEN-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@@H]1C ZINC000900896799 584362211 /nfs/dbraw/zinc/36/22/11/584362211.db2.gz XPUOTCRMSZAQQL-QWRGUYRKSA-N 1 2 233.315 1.608 20 0 BDADLO CCC[C@@](C)(O)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996617 584374859 /nfs/dbraw/zinc/37/48/59/584374859.db2.gz HBZXIZMYUQUDAV-GFCCVEGCSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C2CCC2)[nH+]c1C ZINC000900999240 584374988 /nfs/dbraw/zinc/37/49/88/584374988.db2.gz ZLSZFFZBESRBGM-UHFFFAOYSA-N 1 2 219.288 1.753 20 0 BDADLO CC[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000901022280 584377819 /nfs/dbraw/zinc/37/78/19/584377819.db2.gz SMVXSBCDHDOJOI-KOLCDFICSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000901022280 584377820 /nfs/dbraw/zinc/37/78/20/584377820.db2.gz SMVXSBCDHDOJOI-KOLCDFICSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000901154143 584391870 /nfs/dbraw/zinc/39/18/70/584391870.db2.gz KEOBWBUNVWUORG-IWSPIJDZSA-N 1 2 224.329 1.642 20 0 BDADLO C/C=C\[C@H](O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000901177223 584396058 /nfs/dbraw/zinc/39/60/58/584396058.db2.gz LIPXYGVGXYATND-GZTOBOFZSA-N 1 2 249.314 1.332 20 0 BDADLO O=C(CCF)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000901191278 584396332 /nfs/dbraw/zinc/39/63/32/584396332.db2.gz PUUYCCMOSRVTFN-SNVBAGLBSA-N 1 2 237.278 1.136 20 0 BDADLO CC(C)C1CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901191624 584396695 /nfs/dbraw/zinc/39/66/95/584396695.db2.gz XAGFCVWDOBRLFO-UHFFFAOYSA-N 1 2 233.315 1.608 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000901206725 584399903 /nfs/dbraw/zinc/39/99/03/584399903.db2.gz TXGALFKDNDNBSC-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000901206725 584399905 /nfs/dbraw/zinc/39/99/05/584399905.db2.gz TXGALFKDNDNBSC-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO CC(C)CCOC(=O)NCCn1cc[nH+]c1 ZINC000858880826 588981263 /nfs/dbraw/zinc/98/12/63/588981263.db2.gz BLFUDWXIDBDFSE-UHFFFAOYSA-N 1 2 225.292 1.655 20 0 BDADLO CCn1c[nH+]cc1C=Cc1nc(C)cc(=O)[nH]1 ZINC000901503872 584454708 /nfs/dbraw/zinc/45/47/08/584454708.db2.gz HSFVQOLCJYWLKT-PLNGDYQASA-N 1 2 230.271 1.877 20 0 BDADLO CC(C)n1c[nH+]cc1/C=C1/SC(=N)NC1=O ZINC000901538492 584460448 /nfs/dbraw/zinc/46/04/48/584460448.db2.gz FUIKMHBTQFRSPQ-FPYGCLRLSA-N 1 2 236.300 1.603 20 0 BDADLO CC(C)c1c[nH]c(C=C2SC(=O)NC2=O)[nH+]1 ZINC000901554638 584462489 /nfs/dbraw/zinc/46/24/89/584462489.db2.gz AMOWRJNVOJPWRF-XVNBXDOJSA-N 1 2 237.284 1.857 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cccnc1C)C1CC1 ZINC000901701834 584483237 /nfs/dbraw/zinc/48/32/37/584483237.db2.gz LABCGNBPSYVIMW-ZDUSSCGKSA-N 1 2 248.326 1.474 20 0 BDADLO COCC(COC)SCCn1cc[nH+]c1 ZINC000901855612 584501734 /nfs/dbraw/zinc/50/17/34/584501734.db2.gz PWNCWSYOVLGTRL-UHFFFAOYSA-N 1 2 230.333 1.278 20 0 BDADLO Cc1cc(NCc2[nH]c(C)c(C)[nH+]2)no1 ZINC000902038665 584515830 /nfs/dbraw/zinc/51/58/30/584515830.db2.gz YPLUQKPAXBABDS-UHFFFAOYSA-N 1 2 206.249 1.935 20 0 BDADLO OCc1cncc(NCc2[nH+]ccn2C2CC2)n1 ZINC000902103488 584523577 /nfs/dbraw/zinc/52/35/77/584523577.db2.gz ZOWBRSPUSFVCGG-UHFFFAOYSA-N 1 2 245.286 1.112 20 0 BDADLO Cc1nc(C)n(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000902173222 584534266 /nfs/dbraw/zinc/53/42/66/584534266.db2.gz RQCUROKBGGSENF-UHFFFAOYSA-N 1 2 231.303 1.404 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCOC2=O)C[C@H]1F ZINC000902213011 584535785 /nfs/dbraw/zinc/53/57/85/584535785.db2.gz KUWHNMSPMZBZLL-RKDXNWHRSA-N 1 2 216.256 1.076 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCOC2=O)C[C@H]1F ZINC000902213011 584535786 /nfs/dbraw/zinc/53/57/86/584535786.db2.gz KUWHNMSPMZBZLL-RKDXNWHRSA-N 1 2 216.256 1.076 20 0 BDADLO O=C1N(C[N@H+]2CC=CCC2)CCN1C1CCCC1 ZINC000902213030 584536081 /nfs/dbraw/zinc/53/60/81/584536081.db2.gz LJQMBWZHPBADPW-UHFFFAOYSA-N 1 2 249.358 1.886 20 0 BDADLO O=C1N(C[N@@H+]2CC=CCC2)CCN1C1CCCC1 ZINC000902213030 584536084 /nfs/dbraw/zinc/53/60/84/584536084.db2.gz LJQMBWZHPBADPW-UHFFFAOYSA-N 1 2 249.358 1.886 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2CCOC2=O)c1 ZINC000902232656 584542383 /nfs/dbraw/zinc/54/23/83/584542383.db2.gz JHQMIBRHYZPJPU-UHFFFAOYSA-N 1 2 237.303 1.350 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2CCOC2=O)c1 ZINC000902232656 584542385 /nfs/dbraw/zinc/54/23/85/584542385.db2.gz JHQMIBRHYZPJPU-UHFFFAOYSA-N 1 2 237.303 1.350 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cnn(CC)c2)c1 ZINC000902257273 584544668 /nfs/dbraw/zinc/54/46/68/584544668.db2.gz YEBAQQGLYGTRLV-UHFFFAOYSA-N 1 2 233.319 1.409 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC1CC2(CCC2)C1 ZINC000902280990 584547382 /nfs/dbraw/zinc/54/73/82/584547382.db2.gz IOZFFEZWARQYQT-QMMMGPOBSA-N 1 2 212.293 1.852 20 0 BDADLO Cc1cncc(=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC000902396284 584585367 /nfs/dbraw/zinc/58/53/67/584585367.db2.gz HPZNYJKWCZKTDO-UHFFFAOYSA-N 1 2 244.298 1.061 20 0 BDADLO CCn1c[nH+]c(CNc2cc(OC)n(C)n2)c1 ZINC000902489976 584617187 /nfs/dbraw/zinc/61/71/87/584617187.db2.gz UENOEKARPVDQLL-UHFFFAOYSA-N 1 2 235.291 1.257 20 0 BDADLO Cc1nn(Cc2ccc(N(C)C)[nH+]c2)cc1CO ZINC000902496361 584618761 /nfs/dbraw/zinc/61/87/61/584618761.db2.gz HMRSRJJPXHNOOX-UHFFFAOYSA-N 1 2 246.314 1.193 20 0 BDADLO Cc1nn(Cc2ccc[nH+]c2C)cc1CO ZINC000902499976 584619996 /nfs/dbraw/zinc/61/99/96/584619996.db2.gz SBKCDBZPUUUACA-UHFFFAOYSA-N 1 2 217.272 1.436 20 0 BDADLO C[C@H]([NH2+]Cc1csc(N)n1)c1ccccn1 ZINC000902487731 584626407 /nfs/dbraw/zinc/62/64/07/584626407.db2.gz DEXMLEWGOSUFCL-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO C[C@H]1CCN(C[N@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000902570841 584636545 /nfs/dbraw/zinc/63/65/45/584636545.db2.gz YBPKNUJRQZGXHT-JTQLQIEISA-N 1 2 249.314 1.045 20 0 BDADLO C[C@H]1CCN(C[N@@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000902570841 584636546 /nfs/dbraw/zinc/63/65/46/584636546.db2.gz YBPKNUJRQZGXHT-JTQLQIEISA-N 1 2 249.314 1.045 20 0 BDADLO CCn1c[nH+]c(CN[C@H](C)c2ccn(C)n2)c1 ZINC000902596929 584636954 /nfs/dbraw/zinc/63/69/54/584636954.db2.gz SMLMKWYXKCNYNS-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CCn1cnc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000902596929 584636957 /nfs/dbraw/zinc/63/69/57/584636957.db2.gz SMLMKWYXKCNYNS-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CCc1c(C)on(Cc2c[nH+]ccc2OC)c1=O ZINC000902578796 584638208 /nfs/dbraw/zinc/63/82/08/584638208.db2.gz CAFUMODDOAIFTK-UHFFFAOYSA-N 1 2 248.282 1.764 20 0 BDADLO CCn1cnc(CNc2cc(CO)cc[nH+]2)c1 ZINC000902602016 584641092 /nfs/dbraw/zinc/64/10/92/584641092.db2.gz UMZGXLMTXGYZGO-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CCNc1ccccc1C[NH2+]Cc1cnn[nH]1 ZINC000902623034 584644953 /nfs/dbraw/zinc/64/49/53/584644953.db2.gz SVPIPODPFRAJFK-UHFFFAOYSA-N 1 2 231.303 1.526 20 0 BDADLO CC(C)n1ccn(C[N@@H+]2CC[C@H]2CO)c1=S ZINC000902630642 584646951 /nfs/dbraw/zinc/64/69/51/584646951.db2.gz QVNXVTVGOGFPPR-JTQLQIEISA-N 1 2 241.360 1.624 20 0 BDADLO CC(C)n1ccn(C[N@H+]2CC[C@H]2CO)c1=S ZINC000902630642 584646952 /nfs/dbraw/zinc/64/69/52/584646952.db2.gz QVNXVTVGOGFPPR-JTQLQIEISA-N 1 2 241.360 1.624 20 0 BDADLO CCn1cnc(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000902634350 584648614 /nfs/dbraw/zinc/64/86/14/584648614.db2.gz GTUFNQZULODOTD-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CNc1ccccc1C[NH2+]Cc1nonc1C ZINC000902640486 584649869 /nfs/dbraw/zinc/64/98/69/584649869.db2.gz AYBOWNMCGPHYJI-UHFFFAOYSA-N 1 2 232.287 1.710 20 0 BDADLO CCn1c[nH+]c(CNc2nnc(C)n2C2CC2)c1 ZINC000902658153 584650702 /nfs/dbraw/zinc/65/07/02/584650702.db2.gz OOVAROYJUBRPHC-UHFFFAOYSA-N 1 2 246.318 1.750 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000902717771 584657707 /nfs/dbraw/zinc/65/77/07/584657707.db2.gz SZQFTSGPOLCHAM-ZRUFSTJUSA-N 1 2 244.335 1.723 20 0 BDADLO CC1CC(CO[NH+]=C(N)[C@H]2CCCO2)C1 ZINC000902739505 584663086 /nfs/dbraw/zinc/66/30/86/584663086.db2.gz PMMVJJAKJGILHL-UDNWOFFPSA-N 1 2 212.293 1.710 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1CO)c1cn(C)nn1 ZINC000902763191 584663548 /nfs/dbraw/zinc/66/35/48/584663548.db2.gz VMMWOBOHXDEWNS-SNVBAGLBSA-N 1 2 246.314 1.158 20 0 BDADLO COCCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781508 584670209 /nfs/dbraw/zinc/67/02/09/584670209.db2.gz XBXFEKZPZBFPSW-UHFFFAOYSA-N 1 2 220.272 1.989 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)OC2COC2)c2[nH+]ccn21 ZINC000902943874 584696173 /nfs/dbraw/zinc/69/61/73/584696173.db2.gz WATKZDMZBFVWLM-VXNVDRBHSA-N 1 2 237.259 1.014 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)N1CCCC1 ZINC000902941361 584701720 /nfs/dbraw/zinc/70/17/20/584701720.db2.gz TXIVPTYYUCMPCF-VIFPVBQESA-N 1 2 220.276 1.133 20 0 BDADLO O=[S@@](CC[N@H+]1CCC[C@H](F)C1)C(F)(F)F ZINC000902991071 584709577 /nfs/dbraw/zinc/70/95/77/584709577.db2.gz KBJCLFKUTDFOKS-ZIDLFYJRSA-N 1 2 247.257 1.689 20 0 BDADLO O=[S@@](CC[N@@H+]1CCC[C@H](F)C1)C(F)(F)F ZINC000902991071 584709578 /nfs/dbraw/zinc/70/95/78/584709578.db2.gz KBJCLFKUTDFOKS-ZIDLFYJRSA-N 1 2 247.257 1.689 20 0 BDADLO COc1ncc(C[N@@H+]2CCC[C@H](F)C2)c(C)n1 ZINC000902994898 584712081 /nfs/dbraw/zinc/71/20/81/584712081.db2.gz KFIIRIYSSIEYNP-NSHDSACASA-N 1 2 239.294 1.728 20 0 BDADLO COc1ncc(C[N@H+]2CCC[C@H](F)C2)c(C)n1 ZINC000902994898 584712082 /nfs/dbraw/zinc/71/20/82/584712082.db2.gz KFIIRIYSSIEYNP-NSHDSACASA-N 1 2 239.294 1.728 20 0 BDADLO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](F)C1 ZINC000902994519 584712195 /nfs/dbraw/zinc/71/21/95/584712195.db2.gz DHUDTNARUIZATQ-JTQLQIEISA-N 1 2 244.335 1.652 20 0 BDADLO Cc1csc(=O)n1CC[N@H+]1CCC[C@H](F)C1 ZINC000902994519 584712197 /nfs/dbraw/zinc/71/21/97/584712197.db2.gz DHUDTNARUIZATQ-JTQLQIEISA-N 1 2 244.335 1.652 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](F)C1)N1CCCC1 ZINC000902994543 584712244 /nfs/dbraw/zinc/71/22/44/584712244.db2.gz DWXILDNNKZNYPO-JTQLQIEISA-N 1 2 214.284 1.043 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](F)C1)N1CCCC1 ZINC000902994543 584712245 /nfs/dbraw/zinc/71/22/45/584712245.db2.gz DWXILDNNKZNYPO-JTQLQIEISA-N 1 2 214.284 1.043 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998047 584714781 /nfs/dbraw/zinc/71/47/81/584714781.db2.gz FJTNUWWEFCQORP-MNOVXSKESA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998047 584714782 /nfs/dbraw/zinc/71/47/82/584714782.db2.gz FJTNUWWEFCQORP-MNOVXSKESA-N 1 2 228.311 1.430 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001106 584715507 /nfs/dbraw/zinc/71/55/07/584715507.db2.gz KBWULKKGCBDGCT-GHMZBOCLSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](F)C1 ZINC000903001106 584715509 /nfs/dbraw/zinc/71/55/09/584715509.db2.gz KBWULKKGCBDGCT-GHMZBOCLSA-N 1 2 242.338 1.868 20 0 BDADLO COc1nn(C)cc1CN[C@@H](C)c1[nH]cc[nH+]1 ZINC000903338927 584751729 /nfs/dbraw/zinc/75/17/29/584751729.db2.gz VDSZBDFZXIMKKQ-QMMMGPOBSA-N 1 2 235.291 1.003 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000903338927 584751731 /nfs/dbraw/zinc/75/17/31/584751731.db2.gz VDSZBDFZXIMKKQ-QMMMGPOBSA-N 1 2 235.291 1.003 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)c2ncnn21 ZINC000903443927 584768444 /nfs/dbraw/zinc/76/84/44/584768444.db2.gz LWMNOJRDQGCBQM-TZIBCRCASA-N 1 2 212.684 1.626 20 0 BDADLO C[C@H]([NH2+]C/C=C/Cl)c1cnn(C)n1 ZINC000903443913 584768719 /nfs/dbraw/zinc/76/87/19/584768719.db2.gz LRRHLHFPVPWSGT-SDLBARTOSA-N 1 2 200.673 1.218 20 0 BDADLO CN(CCN1CC=CC[NH2+]1)c1ccccc1 ZINC000903489059 584780381 /nfs/dbraw/zinc/78/03/81/584780381.db2.gz CSCLMWPAZNESJG-UHFFFAOYSA-N 1 2 217.316 1.499 20 0 BDADLO CC[NH2+]Cc1noc(COCc2ccccn2)n1 ZINC000904076177 584839877 /nfs/dbraw/zinc/83/98/77/584839877.db2.gz XKZAXAVSELDRFE-UHFFFAOYSA-N 1 2 248.286 1.291 20 0 BDADLO CCCCN(O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000904162738 584843746 /nfs/dbraw/zinc/84/37/46/584843746.db2.gz GDWUYIWYUNAOHQ-SNVBAGLBSA-N 1 2 240.307 1.473 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)OCCF ZINC000859168171 589013060 /nfs/dbraw/zinc/01/30/60/589013060.db2.gz HTLSQDDLBMQUHZ-UHFFFAOYSA-N 1 2 228.223 1.286 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)[C@H](C)[C@H](C)O1 ZINC000904345903 584868371 /nfs/dbraw/zinc/86/83/71/584868371.db2.gz LLQLLUQVAJPWSE-BBBLOLIVSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)[C@H](C)[C@H](C)O1 ZINC000904345903 584868373 /nfs/dbraw/zinc/86/83/73/584868373.db2.gz LLQLLUQVAJPWSE-BBBLOLIVSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)OCCF)c2[nH+]ccn21 ZINC000859179813 589014890 /nfs/dbraw/zinc/01/48/90/589014890.db2.gz ARUDRKPGHNKTOL-HTQZYQBOSA-N 1 2 227.239 1.585 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccn1 ZINC000741147450 584912099 /nfs/dbraw/zinc/91/20/99/584912099.db2.gz UWTZUUZBCMVOEO-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccccn1 ZINC000741147450 584912100 /nfs/dbraw/zinc/91/21/00/584912100.db2.gz UWTZUUZBCMVOEO-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CCc1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000731793519 584929104 /nfs/dbraw/zinc/92/91/04/584929104.db2.gz UWGLZFQLDOJLNG-UHFFFAOYSA-N 1 2 214.228 1.947 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000732094425 584933908 /nfs/dbraw/zinc/93/39/08/584933908.db2.gz OUGLUCPWISJHAF-SECBINFHSA-N 1 2 221.304 1.804 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCOc2ccccc2C1 ZINC000733293727 584945905 /nfs/dbraw/zinc/94/59/05/584945905.db2.gz SLNNGBXOGMAZLW-UHFFFAOYSA-N 1 2 246.310 1.461 20 0 BDADLO O=C1CCCN1C[N@H+]1CCOc2ccccc2C1 ZINC000733293727 584945906 /nfs/dbraw/zinc/94/59/06/584945906.db2.gz SLNNGBXOGMAZLW-UHFFFAOYSA-N 1 2 246.310 1.461 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OC[C@@H]1CCCOC1 ZINC000768935834 584954856 /nfs/dbraw/zinc/95/48/56/584954856.db2.gz VSVQGHJDDHCNQB-SNVBAGLBSA-N 1 2 244.335 1.727 20 0 BDADLO COC1C[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000733996026 584956205 /nfs/dbraw/zinc/95/62/05/584956205.db2.gz PJJLDNNYRLMFBA-LBPRGKRZSA-N 1 2 225.263 1.190 20 0 BDADLO COC1CN(Cc2[nH+]ccn2C(C)C)C1 ZINC000733995950 584956270 /nfs/dbraw/zinc/95/62/70/584956270.db2.gz ORLNYCWRCOJJOM-UHFFFAOYSA-N 1 2 209.293 1.295 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)C1=COCC1 ZINC000734120549 584957960 /nfs/dbraw/zinc/95/79/60/584957960.db2.gz VAHXWBDOVIZEOB-UHFFFAOYSA-N 1 2 243.266 1.255 20 0 BDADLO CCCNC(=S)NNc1cc(C)[nH+]c(C)n1 ZINC000735988993 584986048 /nfs/dbraw/zinc/98/60/48/584986048.db2.gz FXEVAGCBUMUKLY-UHFFFAOYSA-N 1 2 239.348 1.294 20 0 BDADLO Cc1cc(NNC(=S)NC(C)C)nc(C)[nH+]1 ZINC000735988839 584986082 /nfs/dbraw/zinc/98/60/82/584986082.db2.gz AQWGYIGBGWBYOQ-UHFFFAOYSA-N 1 2 239.348 1.293 20 0 BDADLO O=C(NC1CC(=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000820851527 585014754 /nfs/dbraw/zinc/01/47/54/585014754.db2.gz UXOBPRUEYSHDPM-UHFFFAOYSA-N 1 2 229.239 1.024 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000840779551 585014774 /nfs/dbraw/zinc/01/47/74/585014774.db2.gz DFCBWQZWJDPDJQ-SCVCMEIPSA-N 1 2 243.347 1.731 20 0 BDADLO CCc1noc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000774541194 585032138 /nfs/dbraw/zinc/03/21/38/585032138.db2.gz ALWBXMGAASENLZ-SECBINFHSA-N 1 2 247.302 1.692 20 0 BDADLO CC(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788085792 585039178 /nfs/dbraw/zinc/03/91/78/585039178.db2.gz WYENYNNPSJPSBR-VIFPVBQESA-N 1 2 217.284 1.620 20 0 BDADLO CC(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788085792 585039179 /nfs/dbraw/zinc/03/91/79/585039179.db2.gz WYENYNNPSJPSBR-VIFPVBQESA-N 1 2 217.284 1.620 20 0 BDADLO CCn1ncc(C[NH+]2CCC(COC)CC2)n1 ZINC000838819799 585072069 /nfs/dbraw/zinc/07/20/69/585072069.db2.gz GGLMPMPYGYHJCU-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000838895477 585079247 /nfs/dbraw/zinc/07/92/47/585079247.db2.gz QXXOETOXGWSOHY-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2ccoc2)n1 ZINC000838976813 585083642 /nfs/dbraw/zinc/08/36/42/585083642.db2.gz INZYLURXMGYGKT-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CC(C)OC1CC([N@@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000838981881 585084299 /nfs/dbraw/zinc/08/42/99/585084299.db2.gz JNQKFCZYYMXVEB-ILDUYXDCSA-N 1 2 249.301 1.908 20 0 BDADLO CC(C)OC1CC([N@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000838981881 585084300 /nfs/dbraw/zinc/08/43/00/585084300.db2.gz JNQKFCZYYMXVEB-ILDUYXDCSA-N 1 2 249.301 1.908 20 0 BDADLO CCn1ncc(CNc2ccc(C)[nH+]c2)n1 ZINC000838982058 585084404 /nfs/dbraw/zinc/08/44/04/585084404.db2.gz XQCVPBREEWBHPT-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859206827 589018875 /nfs/dbraw/zinc/01/88/75/589018875.db2.gz JAFSUXAIGJKBJO-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859206827 589018876 /nfs/dbraw/zinc/01/88/76/589018876.db2.gz JAFSUXAIGJKBJO-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OC[C@@H]1CCOC1 ZINC000741753470 585117684 /nfs/dbraw/zinc/11/76/84/585117684.db2.gz AJPRJVFHWPUBQW-GFCCVEGCSA-N 1 2 234.299 1.764 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1sc(C)nc1C ZINC000741787788 585118868 /nfs/dbraw/zinc/11/88/68/585118868.db2.gz TZTLMXPRKGVQRL-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1sc(C)nc1C ZINC000741787788 585118869 /nfs/dbraw/zinc/11/88/69/585118869.db2.gz TZTLMXPRKGVQRL-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742196086 585122941 /nfs/dbraw/zinc/12/29/41/585122941.db2.gz LNJCFQQNETVRPK-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742196086 585122942 /nfs/dbraw/zinc/12/29/42/585122942.db2.gz LNJCFQQNETVRPK-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO COc1cccc(C(N)=[NH+]OCc2ccno2)c1 ZINC000742365116 585124919 /nfs/dbraw/zinc/12/49/19/585124919.db2.gz LYTSYPFEVBWKGN-UHFFFAOYSA-N 1 2 247.254 1.730 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC1(C)COC1 ZINC000742364431 585124921 /nfs/dbraw/zinc/12/49/21/585124921.db2.gz WGYYVTLPCOLPOL-JTQLQIEISA-N 1 2 244.335 1.582 20 0 BDADLO Cc1nc(NCc2nc(C3CC3)no2)cc[nH+]1 ZINC000742397075 585125835 /nfs/dbraw/zinc/12/58/35/585125835.db2.gz AZNIICYLPYFRRN-UHFFFAOYSA-N 1 2 231.259 1.658 20 0 BDADLO Cc1nonc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000744414140 585149789 /nfs/dbraw/zinc/14/97/89/585149789.db2.gz WIZYLQMEJOSJBH-YUMQZZPRSA-N 1 2 227.333 1.704 20 0 BDADLO CCCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081330 585156141 /nfs/dbraw/zinc/15/61/41/585156141.db2.gz GUECJFZNYKHFOA-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO CCCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081330 585156142 /nfs/dbraw/zinc/15/61/42/585156142.db2.gz GUECJFZNYKHFOA-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccno1 ZINC000745080414 585156211 /nfs/dbraw/zinc/15/62/11/585156211.db2.gz AHYRBXKMBRLESK-JTQLQIEISA-N 1 2 224.260 1.202 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccno1 ZINC000745080414 585156212 /nfs/dbraw/zinc/15/62/12/585156212.db2.gz AHYRBXKMBRLESK-JTQLQIEISA-N 1 2 224.260 1.202 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745084445 585156666 /nfs/dbraw/zinc/15/66/66/585156666.db2.gz UANSKYQBYWSMTA-GHMZBOCLSA-N 1 2 241.331 1.772 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745084445 585156667 /nfs/dbraw/zinc/15/66/67/585156667.db2.gz UANSKYQBYWSMTA-GHMZBOCLSA-N 1 2 241.331 1.772 20 0 BDADLO CC[N@@H+]1CCN(CC2CC(OC)C2)C[C@H]1C ZINC000859207232 589019362 /nfs/dbraw/zinc/01/93/62/589019362.db2.gz NGTFBGNCNAKQCL-PNESKVBLSA-N 1 2 226.364 1.437 20 0 BDADLO CC[N@H+]1CCN(CC2CC(OC)C2)C[C@H]1C ZINC000859207232 589019364 /nfs/dbraw/zinc/01/93/64/589019364.db2.gz NGTFBGNCNAKQCL-PNESKVBLSA-N 1 2 226.364 1.437 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC1(Cl)Cl ZINC000746244253 585166479 /nfs/dbraw/zinc/16/64/79/585166479.db2.gz BLUTWGNDHQUTSH-LURJTMIESA-N 1 2 248.113 1.262 20 0 BDADLO CC(C)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746320704 585167312 /nfs/dbraw/zinc/16/73/12/585167312.db2.gz BRGLWZMUSFNYFJ-UHFFFAOYSA-N 1 2 248.317 1.830 20 0 BDADLO CC(C)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746320704 585167313 /nfs/dbraw/zinc/16/73/13/585167313.db2.gz BRGLWZMUSFNYFJ-UHFFFAOYSA-N 1 2 248.317 1.830 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1ccsc1=O ZINC000746618267 585171320 /nfs/dbraw/zinc/17/13/20/585171320.db2.gz GDGNIXKJKCGYRY-BDAKNGLRSA-N 1 2 244.385 1.693 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1ccsc1=O ZINC000746618267 585171321 /nfs/dbraw/zinc/17/13/21/585171321.db2.gz GDGNIXKJKCGYRY-BDAKNGLRSA-N 1 2 244.385 1.693 20 0 BDADLO CO[C@H](C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747400730 585178371 /nfs/dbraw/zinc/17/83/71/585178371.db2.gz MDGNPEYVXHPJRA-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncoc1C(C)C ZINC000748000208 585186439 /nfs/dbraw/zinc/18/64/39/585186439.db2.gz RAOPZUUJXQAPFL-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO S=c1ncccn1C[N@@H+]1CCCOCC1 ZINC000748072502 585186870 /nfs/dbraw/zinc/18/68/70/585186870.db2.gz HBKNGHCNBSHNEK-UHFFFAOYSA-N 1 2 225.317 1.292 20 0 BDADLO S=c1ncccn1C[N@H+]1CCCOCC1 ZINC000748072502 585186871 /nfs/dbraw/zinc/18/68/71/585186871.db2.gz HBKNGHCNBSHNEK-UHFFFAOYSA-N 1 2 225.317 1.292 20 0 BDADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CC=C(C)C ZINC000886944593 585213884 /nfs/dbraw/zinc/21/38/84/585213884.db2.gz SLRPKRUOLKWQDI-RYUDHWBXSA-N 1 2 241.331 1.653 20 0 BDADLO CON(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000750658775 585218155 /nfs/dbraw/zinc/21/81/55/585218155.db2.gz KMRXGMLILSXNRK-UHFFFAOYSA-N 1 2 233.271 1.205 20 0 BDADLO CC(C)=C(C)C(=O)NCCn1cc[nH+]c1 ZINC000751349933 585226867 /nfs/dbraw/zinc/22/68/67/585226867.db2.gz CJFPPLCOYKUDJL-UHFFFAOYSA-N 1 2 207.277 1.356 20 0 BDADLO CS/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000751581135 585233733 /nfs/dbraw/zinc/23/37/33/585233733.db2.gz HMMMFAAKZWLSLN-RUDMXATFSA-N 1 2 239.344 1.656 20 0 BDADLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)nc1 ZINC000753591533 585262917 /nfs/dbraw/zinc/26/29/17/585262917.db2.gz JVVPAGYQLYBKEV-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO CC/C=C(\C)C(=O)NCCc1c[nH+]cn1C ZINC000753680955 585266252 /nfs/dbraw/zinc/26/62/52/585266252.db2.gz YZUQXJGGKZSJQZ-BJMVGYQFSA-N 1 2 221.304 1.435 20 0 BDADLO COC1CC[NH+](Cn2ncc(Cl)c2C)CC1 ZINC000753789647 585269080 /nfs/dbraw/zinc/26/90/80/585269080.db2.gz NBUNALDKSANMIY-UHFFFAOYSA-N 1 2 243.738 1.913 20 0 BDADLO CCc1noc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000754386328 585283732 /nfs/dbraw/zinc/28/37/32/585283732.db2.gz RDHYBJHRIMJCCZ-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO CCc1noc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000754386328 585283733 /nfs/dbraw/zinc/28/37/33/585283733.db2.gz RDHYBJHRIMJCCZ-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1nc(C)no1 ZINC000754687425 585289340 /nfs/dbraw/zinc/28/93/40/585289340.db2.gz ARSZQBRFKDRHFT-WVXIBAHESA-N 1 2 239.275 1.148 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C=C1CCCC1 ZINC000754683534 585289403 /nfs/dbraw/zinc/28/94/03/585289403.db2.gz HAQNSFVTKVURES-UHFFFAOYSA-N 1 2 220.272 1.964 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)COC(C)C ZINC000755944301 585311166 /nfs/dbraw/zinc/31/11/66/585311166.db2.gz VTOMIVAJNABMEC-VIFPVBQESA-N 1 2 218.297 1.335 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)COC(C)C ZINC000755944294 585311197 /nfs/dbraw/zinc/31/11/97/585311197.db2.gz VTOMIVAJNABMEC-SECBINFHSA-N 1 2 218.297 1.335 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2=COCC2)C1 ZINC000756132362 585314902 /nfs/dbraw/zinc/31/49/02/585314902.db2.gz UIGIBEOAKDMBNC-JTQLQIEISA-N 1 2 247.298 1.040 20 0 BDADLO CC1(C)CC[C@@H](C[NH2+][C@@]2(C)CCOC2=O)O1 ZINC000839606384 585331952 /nfs/dbraw/zinc/33/19/52/585331952.db2.gz PCNDTTRJFQWIKP-CABZTGNLSA-N 1 2 227.304 1.239 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000839656270 585333575 /nfs/dbraw/zinc/33/35/75/585333575.db2.gz NWZDPGGPFFKVQT-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000839660600 585334067 /nfs/dbraw/zinc/33/40/67/585334067.db2.gz NDBSFJNUKYLZIL-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC000758330034 585354017 /nfs/dbraw/zinc/35/40/17/585354017.db2.gz GZTODWZUQQRSMR-XPUUQOCRSA-N 1 2 236.237 1.148 20 0 BDADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC000758330034 585354018 /nfs/dbraw/zinc/35/40/18/585354018.db2.gz GZTODWZUQQRSMR-XPUUQOCRSA-N 1 2 236.237 1.148 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC[C@@H]1CCCCO1 ZINC000758763685 585359738 /nfs/dbraw/zinc/35/97/38/585359738.db2.gz OWTIIXBXDBFQQD-UWVGGRQHSA-N 1 2 230.308 1.479 20 0 BDADLO CCCCCC[C@H](O)CN1CC[NH+](C)CC1 ZINC000759326718 585367466 /nfs/dbraw/zinc/36/74/66/585367466.db2.gz HSHODWYBNBAUAX-ZDUSSCGKSA-N 1 2 228.380 1.565 20 0 BDADLO C[N@H+](Cc1cnc(Cl)s1)[C@H]1CCNC1=O ZINC000759424572 585372666 /nfs/dbraw/zinc/37/26/66/585372666.db2.gz RACPJXLKKULIQY-ZETCQYMHSA-N 1 2 245.735 1.117 20 0 BDADLO C[N@@H+](Cc1cnc(Cl)s1)[C@H]1CCNC1=O ZINC000759424572 585372667 /nfs/dbraw/zinc/37/26/67/585372667.db2.gz RACPJXLKKULIQY-ZETCQYMHSA-N 1 2 245.735 1.117 20 0 BDADLO C[N@H+](Cc1cccc(Cl)n1)[C@H]1CCNC1=O ZINC000759426550 585372812 /nfs/dbraw/zinc/37/28/12/585372812.db2.gz WLBHGXWYWCIXBK-VIFPVBQESA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1cccc(Cl)n1)[C@H]1CCNC1=O ZINC000759426550 585372813 /nfs/dbraw/zinc/37/28/13/585372813.db2.gz WLBHGXWYWCIXBK-VIFPVBQESA-N 1 2 239.706 1.055 20 0 BDADLO C[N@H+](Cc1cnc(Cl)s1)[C@@H]1CCNC1=O ZINC000759424571 585372954 /nfs/dbraw/zinc/37/29/54/585372954.db2.gz RACPJXLKKULIQY-SSDOTTSWSA-N 1 2 245.735 1.117 20 0 BDADLO C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1CCNC1=O ZINC000759424571 585372955 /nfs/dbraw/zinc/37/29/55/585372955.db2.gz RACPJXLKKULIQY-SSDOTTSWSA-N 1 2 245.735 1.117 20 0 BDADLO C[N@H+](CC(=O)OCc1ccccc1)C1CC(O)C1 ZINC000759870697 585381724 /nfs/dbraw/zinc/38/17/24/585381724.db2.gz SJSPDVZJUVINGG-UHFFFAOYSA-N 1 2 249.310 1.185 20 0 BDADLO C[N@@H+](CC(=O)OCc1ccccc1)C1CC(O)C1 ZINC000759870697 585381725 /nfs/dbraw/zinc/38/17/25/585381725.db2.gz SJSPDVZJUVINGG-UHFFFAOYSA-N 1 2 249.310 1.185 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)C1CC(O)C1 ZINC000759873783 585381834 /nfs/dbraw/zinc/38/18/34/585381834.db2.gz BEHODOAVGKGCLG-KPPDAEKUSA-N 1 2 229.320 1.173 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)C1CC(O)C1 ZINC000759873783 585381835 /nfs/dbraw/zinc/38/18/35/585381835.db2.gz BEHODOAVGKGCLG-KPPDAEKUSA-N 1 2 229.320 1.173 20 0 BDADLO Nc1ccnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761053565 585404407 /nfs/dbraw/zinc/40/44/07/585404407.db2.gz ZZEANNVQPHZIRG-ZETCQYMHSA-N 1 2 246.236 1.443 20 0 BDADLO Nc1ccnc(C[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761053565 585404408 /nfs/dbraw/zinc/40/44/08/585404408.db2.gz ZZEANNVQPHZIRG-ZETCQYMHSA-N 1 2 246.236 1.443 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761096389 585408842 /nfs/dbraw/zinc/40/88/42/585408842.db2.gz RBMZLZNPSYJMTB-DTWKUNHWSA-N 1 2 205.261 1.541 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761096389 585408843 /nfs/dbraw/zinc/40/88/43/585408843.db2.gz RBMZLZNPSYJMTB-DTWKUNHWSA-N 1 2 205.261 1.541 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761097162 585408854 /nfs/dbraw/zinc/40/88/54/585408854.db2.gz SJUXJQBBGJWHEZ-WCBMZHEXSA-N 1 2 224.329 1.884 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761097162 585408855 /nfs/dbraw/zinc/40/88/55/585408855.db2.gz SJUXJQBBGJWHEZ-WCBMZHEXSA-N 1 2 224.329 1.884 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@@]1(C)CC ZINC000761108868 585409973 /nfs/dbraw/zinc/40/99/73/585409973.db2.gz FMOAMPBXGSNTHE-DGCLKSJQSA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@@]1(C)CC ZINC000761108868 585409974 /nfs/dbraw/zinc/40/99/74/585409974.db2.gz FMOAMPBXGSNTHE-DGCLKSJQSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000761128544 585410850 /nfs/dbraw/zinc/41/08/50/585410850.db2.gz WRVLMYJZLWFTJX-DUWGPSABSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000761128544 585410851 /nfs/dbraw/zinc/41/08/51/585410851.db2.gz WRVLMYJZLWFTJX-DUWGPSABSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H](Cc1nc(Cc2c[nH+]cn2C)no1)C1CC1 ZINC000762412589 585431847 /nfs/dbraw/zinc/43/18/47/585431847.db2.gz YBQLWQGTIQRZBK-VIFPVBQESA-N 1 2 246.314 1.983 20 0 BDADLO CCC1(c2nc(Cc3c[nH+]cn3C)no2)COC1 ZINC000762406115 585431858 /nfs/dbraw/zinc/43/18/58/585431858.db2.gz FKHIBZRPFLGAJG-UHFFFAOYSA-N 1 2 248.286 1.072 20 0 BDADLO C/C=C(\C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762562477 585434097 /nfs/dbraw/zinc/43/40/97/585434097.db2.gz MWEFRWFFFJXWHG-XCVCLJGOSA-N 1 2 229.283 1.917 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C(F)=C1CCCC1 ZINC000763045987 585442559 /nfs/dbraw/zinc/44/25/59/585442559.db2.gz YYRVDOPIFJMSFA-UHFFFAOYSA-N 1 2 223.251 1.824 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CC=CCC1 ZINC000763111094 585443200 /nfs/dbraw/zinc/44/32/00/585443200.db2.gz DNESZYOWTOCXGV-NSHDSACASA-N 1 2 220.272 1.783 20 0 BDADLO C[C@@H]1[N@H+](CN2CCCC2=O)CCOC1(C)C ZINC000763206523 585444651 /nfs/dbraw/zinc/44/46/51/585444651.db2.gz YPICFZXCFHXCGY-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO C[C@@H]1[N@@H+](CN2CCCC2=O)CCOC1(C)C ZINC000763206523 585444652 /nfs/dbraw/zinc/44/46/52/585444652.db2.gz YPICFZXCFHXCGY-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO Cc1cnc(C(=O)OCCCn2cc[nH+]c2)cn1 ZINC000763286804 585445785 /nfs/dbraw/zinc/44/57/85/585445785.db2.gz JAIKPQDCBALMPU-UHFFFAOYSA-N 1 2 246.270 1.229 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccc(O)cc1 ZINC000763287984 585445890 /nfs/dbraw/zinc/44/58/90/585445890.db2.gz MLMSOXMCEYDADG-UHFFFAOYSA-N 1 2 246.266 1.836 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763685866 585452525 /nfs/dbraw/zinc/45/25/25/585452525.db2.gz HTJOWFDGYJRCOC-JTQLQIEISA-N 1 2 236.271 1.202 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763685866 585452526 /nfs/dbraw/zinc/45/25/26/585452526.db2.gz HTJOWFDGYJRCOC-JTQLQIEISA-N 1 2 236.271 1.202 20 0 BDADLO CC[NH+](CC)CCNC(=O)[C@H](F)C(F)(F)F ZINC000763876624 585455918 /nfs/dbraw/zinc/45/59/18/585455918.db2.gz VRZPYTVJBBSCLM-ZETCQYMHSA-N 1 2 244.232 1.345 20 0 BDADLO CC[NH+](CC)CCNC(=O)C(F)C(F)(F)F ZINC000763876624 585455919 /nfs/dbraw/zinc/45/59/19/585455919.db2.gz VRZPYTVJBBSCLM-ZETCQYMHSA-N 1 2 244.232 1.345 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000764676780 585470705 /nfs/dbraw/zinc/47/07/05/585470705.db2.gz FKYNTOWIKKFBNU-LLVKDONJSA-N 1 2 243.328 1.289 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000764676780 585470706 /nfs/dbraw/zinc/47/07/06/585470706.db2.gz FKYNTOWIKKFBNU-LLVKDONJSA-N 1 2 243.328 1.289 20 0 BDADLO Cc1cccc(C[NH2+]NC2=[NH+]C=C([O-])C2)c1 ZINC000764710134 585471660 /nfs/dbraw/zinc/47/16/60/585471660.db2.gz SLEHUZPORPYRPX-UHFFFAOYSA-N 1 2 217.272 1.443 20 0 BDADLO CCCCOC(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000767114718 585514459 /nfs/dbraw/zinc/51/44/59/585514459.db2.gz FDIWWSLGQGTZJO-UHFFFAOYSA-N 1 2 239.319 1.575 20 0 BDADLO CCCCOC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000767114718 585514460 /nfs/dbraw/zinc/51/44/60/585514460.db2.gz FDIWWSLGQGTZJO-UHFFFAOYSA-N 1 2 239.319 1.575 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC(c2cccnc2)CC1 ZINC000768755879 585542459 /nfs/dbraw/zinc/54/24/59/585542459.db2.gz YTXIRLSIJSCUIG-CYBMUJFWSA-N 1 2 246.310 1.577 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)OCc2ccccc2)C[C@@H]1O ZINC000768769068 585542639 /nfs/dbraw/zinc/54/26/39/585542639.db2.gz QHSWLDWESFJWOL-YPMHNXCESA-N 1 2 249.310 1.042 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)OCc2ccccc2)C[C@@H]1O ZINC000768769068 585542640 /nfs/dbraw/zinc/54/26/40/585542640.db2.gz QHSWLDWESFJWOL-YPMHNXCESA-N 1 2 249.310 1.042 20 0 BDADLO CC/C=C\CCO[NH+]=C(N)[C@@H](C)OC ZINC000768921775 585546161 /nfs/dbraw/zinc/54/61/61/585546161.db2.gz FVIAEIVZDXCTCX-SSJHQANKSA-N 1 2 200.282 1.876 20 0 BDADLO CC/C=C\CCO[NH+]=C(N)[C@H](C)OC ZINC000768921780 585546296 /nfs/dbraw/zinc/54/62/96/585546296.db2.gz FVIAEIVZDXCTCX-UDIARPCQSA-N 1 2 200.282 1.876 20 0 BDADLO c1cn2c([nH+]1)CN(Cc1ccoc1)CC2 ZINC000769258188 585551752 /nfs/dbraw/zinc/55/17/52/585551752.db2.gz LHNDXCVHRHISFB-UHFFFAOYSA-N 1 2 203.245 1.492 20 0 BDADLO CC(C)CCOC(=O)NCc1c[nH+]c[nH]1 ZINC000859236149 589023207 /nfs/dbraw/zinc/02/32/07/589023207.db2.gz UMRYYFIJKFGEET-UHFFFAOYSA-N 1 2 211.265 1.682 20 0 BDADLO CC(C)CCOC(=O)NCc1c[nH]c[nH+]1 ZINC000859236149 589023209 /nfs/dbraw/zinc/02/32/09/589023209.db2.gz UMRYYFIJKFGEET-UHFFFAOYSA-N 1 2 211.265 1.682 20 0 BDADLO OCCC[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000769405427 585555628 /nfs/dbraw/zinc/55/56/28/585555628.db2.gz VFRGXBPTESDXCD-UHFFFAOYSA-N 1 2 236.315 1.899 20 0 BDADLO OCCC[N@@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000769405427 585555629 /nfs/dbraw/zinc/55/56/29/585555629.db2.gz VFRGXBPTESDXCD-UHFFFAOYSA-N 1 2 236.315 1.899 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnn2ccccc12 ZINC000769426566 585555800 /nfs/dbraw/zinc/55/58/00/585555800.db2.gz UONZBVSDCXUCAH-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnn2ccccc12 ZINC000769426566 585555801 /nfs/dbraw/zinc/55/58/01/585555801.db2.gz UONZBVSDCXUCAH-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO COC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770397839 585573852 /nfs/dbraw/zinc/57/38/52/585573852.db2.gz WWDVIGLVXKNTCD-VIFPVBQESA-N 1 2 233.271 1.099 20 0 BDADLO CN(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000770419095 585574035 /nfs/dbraw/zinc/57/40/35/585574035.db2.gz MHRQODHOQOPYQM-UHFFFAOYSA-N 1 2 215.256 1.569 20 0 BDADLO CN(CC(F)F)C(=O)c1cccc2[nH+]ccn21 ZINC000770417865 585574128 /nfs/dbraw/zinc/57/41/28/585574128.db2.gz PAKJGKUGCAMEPC-UHFFFAOYSA-N 1 2 239.225 1.671 20 0 BDADLO c1cn(Cc2nc(CC3CCOCC3)no2)c[nH+]1 ZINC000770874941 585583427 /nfs/dbraw/zinc/58/34/27/585583427.db2.gz FUGWXUHYAGBHQX-UHFFFAOYSA-N 1 2 248.286 1.284 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCc1ccno1 ZINC000771673326 585598695 /nfs/dbraw/zinc/59/86/95/585598695.db2.gz HNCLXUWPACRMQI-UHFFFAOYSA-N 1 2 232.243 1.311 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OC[C@H]1CCCOC1 ZINC000771664687 585598813 /nfs/dbraw/zinc/59/88/13/585598813.db2.gz NHWMWYJXNJSJSL-LBPRGKRZSA-N 1 2 249.314 1.549 20 0 BDADLO Cc1nc(NC[C@@H](O)c2cccnc2)cc[nH+]1 ZINC000771920130 585604374 /nfs/dbraw/zinc/60/43/74/585604374.db2.gz BMKLXPDLOLCNKX-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cscn1 ZINC000771942093 585605265 /nfs/dbraw/zinc/60/52/65/585605265.db2.gz WIIOHNCWUGVTEH-UHFFFAOYSA-N 1 2 223.257 1.197 20 0 BDADLO O=C(C[C@H]1CCCCO1)OCCn1cc[nH+]c1 ZINC000772001656 585606789 /nfs/dbraw/zinc/60/67/89/585606789.db2.gz NLWSIKNKDJWCJQ-LLVKDONJSA-N 1 2 238.287 1.386 20 0 BDADLO Cc1ccc(COC(=O)c2cnsn2)c(C)[nH+]1 ZINC000772032478 585607147 /nfs/dbraw/zinc/60/71/47/585607147.db2.gz OLECPSKMSOCCLC-UHFFFAOYSA-N 1 2 249.295 1.907 20 0 BDADLO CC[C@H](C)OCC(=O)OCCn1cc[nH+]c1 ZINC000772025335 585607236 /nfs/dbraw/zinc/60/72/36/585607236.db2.gz WIHNJRMRDWTWAW-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO CC(=O)CCCC(=O)OCCn1cc[nH+]c1 ZINC000772373564 585613555 /nfs/dbraw/zinc/61/35/55/585613555.db2.gz YRULVXFVNUQLSG-UHFFFAOYSA-N 1 2 224.260 1.186 20 0 BDADLO CCC[C@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805478660 585634083 /nfs/dbraw/zinc/63/40/83/585634083.db2.gz XULWXWBGEKBFAI-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805478660 585634084 /nfs/dbraw/zinc/63/40/84/585634084.db2.gz XULWXWBGEKBFAI-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO COc1cc(C[NH+]2CC(O)(C(C)C)C2)ccn1 ZINC000773893709 585645948 /nfs/dbraw/zinc/64/59/48/585645948.db2.gz PCEYUNQUEXOPDK-UHFFFAOYSA-N 1 2 236.315 1.293 20 0 BDADLO CC(C)C1(O)C[NH+]([C@H](C)c2cnccn2)C1 ZINC000773894265 585645971 /nfs/dbraw/zinc/64/59/71/585645971.db2.gz HRTPXDCAEBLOPQ-SNVBAGLBSA-N 1 2 221.304 1.240 20 0 BDADLO COc1cc[nH+]cc1COC(=O)Cc1ccco1 ZINC000805499836 585647824 /nfs/dbraw/zinc/64/78/24/585647824.db2.gz ABBIDBMEOUDURW-UHFFFAOYSA-N 1 2 247.250 1.969 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1(F)CCCC1 ZINC000774140157 585651531 /nfs/dbraw/zinc/65/15/31/585651531.db2.gz TXFIUKCYWPHCKR-UHFFFAOYSA-N 1 2 226.251 1.746 20 0 BDADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)Cc2ccccc21 ZINC000774545406 585660943 /nfs/dbraw/zinc/66/09/43/585660943.db2.gz AECNWKIWQGQAML-VIFPVBQESA-N 1 2 244.298 1.630 20 0 BDADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)Cc2ccccc21 ZINC000774545406 585660944 /nfs/dbraw/zinc/66/09/44/585660944.db2.gz AECNWKIWQGQAML-VIFPVBQESA-N 1 2 244.298 1.630 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1CC(=O)C1 ZINC000805519637 585662697 /nfs/dbraw/zinc/66/26/97/585662697.db2.gz DNFTZGFRGOFHIF-UHFFFAOYSA-N 1 2 235.239 1.113 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCC=CO1)C(C)(C)C ZINC000775057209 585671295 /nfs/dbraw/zinc/67/12/95/585671295.db2.gz LHXXHCAZORHNDH-GHMZBOCLSA-N 1 2 241.331 1.856 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1cccnc1Cl ZINC000775603789 585681408 /nfs/dbraw/zinc/68/14/08/585681408.db2.gz DFAZGJWJDAQRPH-UHFFFAOYSA-N 1 2 249.657 1.510 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccoc2)CCN1C ZINC000775988399 585688312 /nfs/dbraw/zinc/68/83/12/585688312.db2.gz XNYXUYWNCBUKBB-MNOVXSKESA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccoc2)CCN1C ZINC000775988399 585688313 /nfs/dbraw/zinc/68/83/13/585688313.db2.gz XNYXUYWNCBUKBB-MNOVXSKESA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000776300556 585695214 /nfs/dbraw/zinc/69/52/14/585695214.db2.gz CSDVUPBSIHCWGC-HTQZYQBOSA-N 1 2 212.318 1.642 20 0 BDADLO Cc1cnc(COC(=O)CCCn2cc[nH+]c2)o1 ZINC000776347983 585696177 /nfs/dbraw/zinc/69/61/77/585696177.db2.gz RCJSSRBXSKUQIQ-UHFFFAOYSA-N 1 2 249.270 1.703 20 0 BDADLO CCCn1cc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000776348206 585696218 /nfs/dbraw/zinc/69/62/18/585696218.db2.gz IVAUKBNYPFTGPJ-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000776578065 585701036 /nfs/dbraw/zinc/70/10/36/585701036.db2.gz CUUINYSMNSFHKE-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000776578065 585701037 /nfs/dbraw/zinc/70/10/37/585701037.db2.gz CUUINYSMNSFHKE-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCO[C@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000776584555 585701468 /nfs/dbraw/zinc/70/14/68/585701468.db2.gz MUMPNYJXTJWRMJ-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CCO[C@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000776584555 585701469 /nfs/dbraw/zinc/70/14/69/585701469.db2.gz MUMPNYJXTJWRMJ-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO O=C(NCCC1CC1)c1cccc2[nH+]ccn21 ZINC000776965159 585707030 /nfs/dbraw/zinc/70/70/30/585707030.db2.gz VFEFBCWLDFGOIL-UHFFFAOYSA-N 1 2 229.283 1.864 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(Cl)Cl ZINC000777391916 585711384 /nfs/dbraw/zinc/71/13/84/585711384.db2.gz YZFHWGQOTSRUMW-UHFFFAOYSA-N 1 2 236.102 1.562 20 0 BDADLO COC1(C)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000777441646 585712264 /nfs/dbraw/zinc/71/22/64/585712264.db2.gz FFKZWAWLIHRDDY-UHFFFAOYSA-N 1 2 245.282 1.195 20 0 BDADLO CS/C=C\C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777457531 585712677 /nfs/dbraw/zinc/71/26/77/585712677.db2.gz QUFCQIYAUFMFMA-USYJTPIQSA-N 1 2 237.328 1.950 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)C1 ZINC000777966523 585724824 /nfs/dbraw/zinc/72/48/24/585724824.db2.gz NEOWLXNSFKJNIO-GMTAPVOTSA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C)[C@H](F)C2)C1 ZINC000777966523 585724825 /nfs/dbraw/zinc/72/48/25/585724825.db2.gz NEOWLXNSFKJNIO-GMTAPVOTSA-N 1 2 228.311 1.492 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@H]1CCCCO1 ZINC000778122657 585725906 /nfs/dbraw/zinc/72/59/06/585725906.db2.gz TVZGDAQMWMTTII-NEPJUHHUSA-N 1 2 241.331 1.583 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@H]1CCCCO1 ZINC000778122657 585725907 /nfs/dbraw/zinc/72/59/07/585725907.db2.gz TVZGDAQMWMTTII-NEPJUHHUSA-N 1 2 241.331 1.583 20 0 BDADLO Cc1cccc(C[N@@H+]2CCC[C@]23CCOC3=O)n1 ZINC000778241749 585729459 /nfs/dbraw/zinc/72/94/59/585729459.db2.gz FPTUPHUOUAUTFX-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cccc(C[N@H+]2CCC[C@]23CCOC3=O)n1 ZINC000778241749 585729460 /nfs/dbraw/zinc/72/94/60/585729460.db2.gz FPTUPHUOUAUTFX-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000778249848 585729917 /nfs/dbraw/zinc/72/99/17/585729917.db2.gz ZQGDHLSSYLRTBR-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000778249848 585729918 /nfs/dbraw/zinc/72/99/18/585729918.db2.gz ZQGDHLSSYLRTBR-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094594 585745253 /nfs/dbraw/zinc/74/52/53/585745253.db2.gz DBCBSXYARSDDRN-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)nc3)CCN12 ZINC000779157527 585746095 /nfs/dbraw/zinc/74/60/95/585746095.db2.gz ZUMYZNPPGJOTRE-LLVKDONJSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)nc3)CCN12 ZINC000779157527 585746096 /nfs/dbraw/zinc/74/60/96/585746096.db2.gz ZUMYZNPPGJOTRE-LLVKDONJSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccoc1 ZINC000779198711 585746554 /nfs/dbraw/zinc/74/65/54/585746554.db2.gz LABXPRNUDGUNMG-GFCCVEGCSA-N 1 2 221.256 1.561 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccoc1 ZINC000779198711 585746555 /nfs/dbraw/zinc/74/65/55/585746555.db2.gz LABXPRNUDGUNMG-GFCCVEGCSA-N 1 2 221.256 1.561 20 0 BDADLO C[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@@H]1O ZINC000779200111 585747054 /nfs/dbraw/zinc/74/70/54/585747054.db2.gz UTPPEQZWPLKDKG-SKDRFNHKSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@@H]1O ZINC000779200111 585747055 /nfs/dbraw/zinc/74/70/55/585747055.db2.gz UTPPEQZWPLKDKG-SKDRFNHKSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc(N(C)C)cc1 ZINC000779423872 585754857 /nfs/dbraw/zinc/75/48/57/585754857.db2.gz VHFNFZAOOYNOFN-SNVBAGLBSA-N 1 2 208.305 1.935 20 0 BDADLO C[C@H](CCO)Nc1ccc([NH+](C)C)cc1 ZINC000779423872 585754858 /nfs/dbraw/zinc/75/48/58/585754858.db2.gz VHFNFZAOOYNOFN-SNVBAGLBSA-N 1 2 208.305 1.935 20 0 BDADLO Cc1cc([NH2+][C@H](C)CCO)ccc1-n1cnnn1 ZINC000779424041 585754996 /nfs/dbraw/zinc/75/49/96/585754996.db2.gz XYMDXURNDQRICV-SNVBAGLBSA-N 1 2 247.302 1.154 20 0 BDADLO CC[C@@H](CO)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000779826587 585767638 /nfs/dbraw/zinc/76/76/38/585767638.db2.gz FSFYGSJLKPNZEN-VHSXEESVSA-N 1 2 237.303 1.092 20 0 BDADLO Cc1cnc(C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000780684341 585783092 /nfs/dbraw/zinc/78/30/92/585783092.db2.gz DGVGIGJENMLHSS-UHFFFAOYSA-N 1 2 233.315 1.086 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781355043 585795073 /nfs/dbraw/zinc/79/50/73/585795073.db2.gz WETSFFXLOYVZGW-MRVPVSSYSA-N 1 2 247.245 1.582 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781355043 585795074 /nfs/dbraw/zinc/79/50/74/585795074.db2.gz WETSFFXLOYVZGW-MRVPVSSYSA-N 1 2 247.245 1.582 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000781617592 585800787 /nfs/dbraw/zinc/80/07/87/585800787.db2.gz BRMHURWSPBJNQY-UWVGGRQHSA-N 1 2 221.304 1.267 20 0 BDADLO Cn1cccc1C(=O)OCCCn1cc[nH+]c1 ZINC000781822876 585803841 /nfs/dbraw/zinc/80/38/41/585803841.db2.gz PYOHZHIUDZPDNS-UHFFFAOYSA-N 1 2 233.271 1.469 20 0 BDADLO CN(C)c1cc(COc2cccc[n+]2[O-])cc[nH+]1 ZINC000782111845 585807813 /nfs/dbraw/zinc/80/78/13/585807813.db2.gz KZDRWNINXGVOBK-UHFFFAOYSA-N 1 2 245.282 1.360 20 0 BDADLO CCOCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000782336356 585815490 /nfs/dbraw/zinc/81/54/90/585815490.db2.gz DIPVEUXIHKHPBY-JTQLQIEISA-N 1 2 232.324 1.582 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000782338722 585815827 /nfs/dbraw/zinc/81/58/27/585815827.db2.gz YJFYQGCDRKUSHX-NXEZZACHSA-N 1 2 232.324 1.581 20 0 BDADLO Cc1ccc(C(=O)OCCCn2cc[nH+]c2)n1C ZINC000782571440 585820177 /nfs/dbraw/zinc/82/01/77/585820177.db2.gz KWVGGSZONFCVSI-UHFFFAOYSA-N 1 2 247.298 1.777 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782591469 585821478 /nfs/dbraw/zinc/82/14/78/585821478.db2.gz MAZQISPNRITIQZ-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CCOCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782591469 585821479 /nfs/dbraw/zinc/82/14/79/585821479.db2.gz MAZQISPNRITIQZ-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cnccc1C ZINC000783002355 585826789 /nfs/dbraw/zinc/82/67/89/585826789.db2.gz RNVDZOZVJBLGAI-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)C1 ZINC000783547015 585836388 /nfs/dbraw/zinc/83/63/88/585836388.db2.gz ZKSLBPJPUJRWMA-NOOOWODRSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)C1 ZINC000783547015 585836389 /nfs/dbraw/zinc/83/63/89/585836389.db2.gz ZKSLBPJPUJRWMA-NOOOWODRSA-N 1 2 240.347 1.310 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1C ZINC000783730189 585840868 /nfs/dbraw/zinc/84/08/68/585840868.db2.gz RTAPJIWDJTUBGW-CYBMUJFWSA-N 1 2 246.354 1.966 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1C ZINC000783730189 585840869 /nfs/dbraw/zinc/84/08/69/585840869.db2.gz RTAPJIWDJTUBGW-CYBMUJFWSA-N 1 2 246.354 1.966 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccoc1 ZINC000783741539 585841914 /nfs/dbraw/zinc/84/19/14/585841914.db2.gz QXPRWESDXLTMSX-CYBMUJFWSA-N 1 2 236.315 1.770 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccoc1 ZINC000783741539 585841915 /nfs/dbraw/zinc/84/19/15/585841915.db2.gz QXPRWESDXLTMSX-CYBMUJFWSA-N 1 2 236.315 1.770 20 0 BDADLO O=C(NC1=[NH+]CCS1)C12CCC(CC1)C2 ZINC000783872001 585845291 /nfs/dbraw/zinc/84/52/91/585845291.db2.gz UJUMBNGJDDIXQT-UHFFFAOYSA-N 1 2 224.329 1.786 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000784226129 585853087 /nfs/dbraw/zinc/85/30/87/585853087.db2.gz SPVLBPNDVROHJM-YIZRAAEISA-N 1 2 223.276 1.371 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000784226129 585853088 /nfs/dbraw/zinc/85/30/88/585853088.db2.gz SPVLBPNDVROHJM-YIZRAAEISA-N 1 2 223.276 1.371 20 0 BDADLO CC[C@H](C)OCC(=O)OCCCn1cc[nH+]c1 ZINC000784337354 585856242 /nfs/dbraw/zinc/85/62/42/585856242.db2.gz IGBUJCCFSBKVIU-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO Cc1nnccc1C(=O)OCCCn1cc[nH+]c1 ZINC000784360583 585857164 /nfs/dbraw/zinc/85/71/64/585857164.db2.gz LUMAOVHMBWLHPP-UHFFFAOYSA-N 1 2 246.270 1.229 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C=C1CCC1 ZINC000784915777 585868196 /nfs/dbraw/zinc/86/81/96/585868196.db2.gz XOEZHHGVQCJLEV-NSHDSACASA-N 1 2 239.315 1.361 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C=C1CCC1 ZINC000784915776 585868365 /nfs/dbraw/zinc/86/83/65/585868365.db2.gz XOEZHHGVQCJLEV-LLVKDONJSA-N 1 2 239.315 1.361 20 0 BDADLO C/C=C(/C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784915651 585868477 /nfs/dbraw/zinc/86/84/77/585868477.db2.gz VROSWGICCVZURX-NEOSZVFXSA-N 1 2 227.304 1.217 20 0 BDADLO COCC[N@H+](C/C=C/Cl)Cc1ccnn1C ZINC000786226052 585888911 /nfs/dbraw/zinc/88/89/11/585888911.db2.gz DLULSMLMZNJIJB-HWKANZROSA-N 1 2 243.738 1.621 20 0 BDADLO COCC[N@@H+](C/C=C/Cl)Cc1ccnn1C ZINC000786226052 585888912 /nfs/dbraw/zinc/88/89/12/585888912.db2.gz DLULSMLMZNJIJB-HWKANZROSA-N 1 2 243.738 1.621 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCCOCC1 ZINC000786440436 585891711 /nfs/dbraw/zinc/89/17/11/585891711.db2.gz WDDCMSQTBOTNJS-SNVBAGLBSA-N 1 2 238.287 1.280 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787114824 585901759 /nfs/dbraw/zinc/90/17/59/585901759.db2.gz NOUOFSKISDFOTF-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO O[C@@H]1C[N@H+](CC2(O)CCCCC2)CC(F)(F)C1 ZINC000787361204 585907667 /nfs/dbraw/zinc/90/76/67/585907667.db2.gz QDVNWJPCRSTIGY-JTQLQIEISA-N 1 2 249.301 1.384 20 0 BDADLO O[C@@H]1C[N@@H+](CC2(O)CCCCC2)CC(F)(F)C1 ZINC000787361204 585907668 /nfs/dbraw/zinc/90/76/68/585907668.db2.gz QDVNWJPCRSTIGY-JTQLQIEISA-N 1 2 249.301 1.384 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C(F)F ZINC000787366442 585907858 /nfs/dbraw/zinc/90/78/58/585907858.db2.gz SBZVJNNGLXSISS-UHFFFAOYSA-N 1 2 200.188 1.270 20 0 BDADLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)o1 ZINC000787571780 585912048 /nfs/dbraw/zinc/91/20/48/585912048.db2.gz LTRYSGIBLPJBDR-UHFFFAOYSA-N 1 2 232.239 1.922 20 0 BDADLO Nc1cc(COC(=O)C2(O)CCCC2)cc[nH+]1 ZINC000787607501 585912886 /nfs/dbraw/zinc/91/28/86/585912886.db2.gz PDPYOPAIUCKYIY-UHFFFAOYSA-N 1 2 236.271 1.012 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCC=CO1 ZINC000787769354 585915795 /nfs/dbraw/zinc/91/57/95/585915795.db2.gz DTFCZAVJLXMMSD-JTQLQIEISA-N 1 2 207.277 1.534 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCC=CO1 ZINC000787769354 585915796 /nfs/dbraw/zinc/91/57/96/585915796.db2.gz DTFCZAVJLXMMSD-JTQLQIEISA-N 1 2 207.277 1.534 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OC[C@H]1CCCO1 ZINC000787904595 585917236 /nfs/dbraw/zinc/91/72/36/585917236.db2.gz DYEYLDNBXADMEJ-GFCCVEGCSA-N 1 2 234.299 1.907 20 0 BDADLO CN(CCCCO)C(=O)c1cccc2[nH+]ccn21 ZINC000788551758 585926807 /nfs/dbraw/zinc/92/68/07/585926807.db2.gz LAFZGHMPXALBKE-UHFFFAOYSA-N 1 2 247.298 1.179 20 0 BDADLO CC(C)CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789607740 585946104 /nfs/dbraw/zinc/94/61/04/585946104.db2.gz CLOIXRAMMWWUDR-VIFPVBQESA-N 1 2 200.282 1.710 20 0 BDADLO COCCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613826 585946841 /nfs/dbraw/zinc/94/68/41/585946841.db2.gz WHQVLYFAKBUALN-JTQLQIEISA-N 1 2 230.308 1.481 20 0 BDADLO CC(C)CC(=O)OCCCc1[nH+]ccn1C ZINC000789790766 585950106 /nfs/dbraw/zinc/95/01/06/585950106.db2.gz AOFBGNYUFVEEGG-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO CC[C@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000789791219 585950308 /nfs/dbraw/zinc/95/03/08/585950308.db2.gz GKDFCPOVPIVFHI-JTQLQIEISA-N 1 2 224.304 1.942 20 0 BDADLO C/C=C(/CC)C(=O)NCCc1c[nH+]cn1C ZINC000789849959 585951618 /nfs/dbraw/zinc/95/16/18/585951618.db2.gz JOLVEZPVYSSZCE-WMZJFQQLSA-N 1 2 221.304 1.435 20 0 BDADLO C[C@@H]1CCSCC[N@@H+]1Cn1ccsc1=O ZINC000790478486 585965360 /nfs/dbraw/zinc/96/53/60/585965360.db2.gz PDRXPHJEMNJWHB-SECBINFHSA-N 1 2 244.385 1.695 20 0 BDADLO C[C@@H]1CCSCC[N@H+]1Cn1ccsc1=O ZINC000790478486 585965361 /nfs/dbraw/zinc/96/53/61/585965361.db2.gz PDRXPHJEMNJWHB-SECBINFHSA-N 1 2 244.385 1.695 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncccn1 ZINC000791389373 585979914 /nfs/dbraw/zinc/97/99/14/585979914.db2.gz IZUPGGCNSHFUAS-SNVBAGLBSA-N 1 2 235.287 1.004 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ncccn1 ZINC000791389373 585979915 /nfs/dbraw/zinc/97/99/15/585979915.db2.gz IZUPGGCNSHFUAS-SNVBAGLBSA-N 1 2 235.287 1.004 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ncccn1 ZINC000791389372 585979999 /nfs/dbraw/zinc/97/99/99/585979999.db2.gz IZUPGGCNSHFUAS-JTQLQIEISA-N 1 2 235.287 1.004 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ncccn1 ZINC000791389372 585980000 /nfs/dbraw/zinc/98/00/00/585980000.db2.gz IZUPGGCNSHFUAS-JTQLQIEISA-N 1 2 235.287 1.004 20 0 BDADLO Cc1ccc(CC(=O)OCc2cc[nH+]c(N)c2)o1 ZINC000792064859 585995286 /nfs/dbraw/zinc/99/52/86/585995286.db2.gz XPVZQXNTGQVVCF-UHFFFAOYSA-N 1 2 246.266 1.851 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792091607 585995731 /nfs/dbraw/zinc/99/57/31/585995731.db2.gz UJUHMPHRXYBILU-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO CC(C)(C)OCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792110312 585995827 /nfs/dbraw/zinc/99/58/27/585995827.db2.gz BWUZRZLVJUNJTA-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO COc1cc(C(=O)OCc2cc[nH+]c(N)c2)on1 ZINC000792128296 585996219 /nfs/dbraw/zinc/99/62/19/585996219.db2.gz DJPAEGGQURJDQC-UHFFFAOYSA-N 1 2 249.226 1.017 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCc2cc[nH+]c(N)c2)CO1 ZINC000792168581 585996937 /nfs/dbraw/zinc/99/69/37/585996937.db2.gz AWYFLBBWGXHPMJ-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@@H]1CN(C(=O)C(=O)c2ccccc2)CC[N@@H+]1C ZINC000792199581 585997321 /nfs/dbraw/zinc/99/73/21/585997321.db2.gz JBFPTXJBLLHNPX-LLVKDONJSA-N 1 2 246.310 1.032 20 0 BDADLO C[C@@H]1CN(C(=O)C(=O)c2ccccc2)CC[N@H+]1C ZINC000792199581 585997322 /nfs/dbraw/zinc/99/73/22/585997322.db2.gz JBFPTXJBLLHNPX-LLVKDONJSA-N 1 2 246.310 1.032 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1C/C(Cl)=C\Cl ZINC000792372602 586000367 /nfs/dbraw/zinc/00/03/67/586000367.db2.gz XNHXGAOSGHERNL-VKDKVYATSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1C/C(Cl)=C\Cl ZINC000792372602 586000368 /nfs/dbraw/zinc/00/03/68/586000368.db2.gz XNHXGAOSGHERNL-VKDKVYATSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@H]1CSCC[N@H+](Cn2ccsc2=O)C1 ZINC000792726014 586004562 /nfs/dbraw/zinc/00/45/62/586004562.db2.gz NNYCSNCNYIKBFC-SECBINFHSA-N 1 2 244.385 1.552 20 0 BDADLO C[C@H]1CSCC[N@@H+](Cn2ccsc2=O)C1 ZINC000792726014 586004563 /nfs/dbraw/zinc/00/45/63/586004563.db2.gz NNYCSNCNYIKBFC-SECBINFHSA-N 1 2 244.385 1.552 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CC1(C)CC1 ZINC000793237827 586014630 /nfs/dbraw/zinc/01/46/30/586014630.db2.gz IUHURBQQHGNZKR-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccccn1 ZINC000793237298 586014699 /nfs/dbraw/zinc/01/46/99/586014699.db2.gz HOMOTYWGIPQWDE-UHFFFAOYSA-N 1 2 231.255 1.215 20 0 BDADLO CCC[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793251093 586015206 /nfs/dbraw/zinc/01/52/06/586015206.db2.gz TXFXDWRURSRWBB-JTQLQIEISA-N 1 2 224.304 1.942 20 0 BDADLO C[C@H](CC(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000793259820 586015317 /nfs/dbraw/zinc/01/53/17/586015317.db2.gz WWDKXSABMGMFIS-SNVBAGLBSA-N 1 2 236.315 1.942 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cccnc1F ZINC000793281327 586015886 /nfs/dbraw/zinc/01/58/86/586015886.db2.gz OAFLHEHESZELMS-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1cc[nH+]c1CNCc1cccnc1F ZINC000793281327 586015887 /nfs/dbraw/zinc/01/58/87/586015887.db2.gz OAFLHEHESZELMS-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(F)nc1C ZINC000793345504 586017211 /nfs/dbraw/zinc/01/72/11/586017211.db2.gz CRLYKSGCOIBWLA-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO Cc1nn(C)cc1NC(=O)CCc1c[nH+]cn1C ZINC000793552494 586022669 /nfs/dbraw/zinc/02/26/69/586022669.db2.gz LVLNNOKCXXABSQ-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cn1cc2[nH]cccc-2c1=O ZINC000793820437 586026752 /nfs/dbraw/zinc/02/67/52/586026752.db2.gz LIHNIOAXFGHIDK-SNVBAGLBSA-N 1 2 231.299 1.479 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cn1cc2[nH]cccc-2c1=O ZINC000793820437 586026753 /nfs/dbraw/zinc/02/67/53/586026753.db2.gz LIHNIOAXFGHIDK-SNVBAGLBSA-N 1 2 231.299 1.479 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000794578150 586044981 /nfs/dbraw/zinc/04/49/81/586044981.db2.gz WTRZKQHYCCRKHG-VXGBXAGGSA-N 1 2 243.347 1.470 20 0 BDADLO CC(C)(C)OCCCC(=O)NC1=[NH+]CCS1 ZINC000794619799 586045827 /nfs/dbraw/zinc/04/58/27/586045827.db2.gz CIYCPUYKZIAZSY-UHFFFAOYSA-N 1 2 244.360 1.801 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cn2ccsc2=O)CC1 ZINC000794667869 586046458 /nfs/dbraw/zinc/04/64/58/586046458.db2.gz QKRRZTRHVAOQJO-NSHDSACASA-N 1 2 242.344 1.104 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cn2ccsc2=O)CC1 ZINC000794667869 586046459 /nfs/dbraw/zinc/04/64/59/586046459.db2.gz QKRRZTRHVAOQJO-NSHDSACASA-N 1 2 242.344 1.104 20 0 BDADLO C[Si](C)(C)C[N@@H+]1CCOC[C@@H]1c1ncno1 ZINC000859302130 589029095 /nfs/dbraw/zinc/02/90/95/589029095.db2.gz SUVHCPWSENKAOU-SECBINFHSA-N 1 2 241.367 1.320 20 0 BDADLO C[Si](C)(C)C[N@H+]1CCOC[C@@H]1c1ncno1 ZINC000859302130 589029097 /nfs/dbraw/zinc/02/90/97/589029097.db2.gz SUVHCPWSENKAOU-SECBINFHSA-N 1 2 241.367 1.320 20 0 BDADLO C[Si](C)(C)C[N@@H+]1CCOC[C@H]1c1ncno1 ZINC000859302131 589029344 /nfs/dbraw/zinc/02/93/44/589029344.db2.gz SUVHCPWSENKAOU-VIFPVBQESA-N 1 2 241.367 1.320 20 0 BDADLO C[Si](C)(C)C[N@H+]1CCOC[C@H]1c1ncno1 ZINC000859302131 589029346 /nfs/dbraw/zinc/02/93/46/589029346.db2.gz SUVHCPWSENKAOU-VIFPVBQESA-N 1 2 241.367 1.320 20 0 BDADLO CCCOC(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000859308656 589029588 /nfs/dbraw/zinc/02/95/88/589029588.db2.gz OQEJORLLUUEHTI-SECBINFHSA-N 1 2 237.303 1.110 20 0 BDADLO CC[N@H+](Cc1cc(Cl)n(C)n1)[C@H]1CCOC1 ZINC000859310003 589029604 /nfs/dbraw/zinc/02/96/04/589029604.db2.gz APPGWHOYSSRBRK-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1cc(Cl)n(C)n1)[C@H]1CCOC1 ZINC000859310003 589029606 /nfs/dbraw/zinc/02/96/06/589029606.db2.gz APPGWHOYSSRBRK-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO C[N@H+](CCOC(C)(C)C)[C@@H]1CC(C)(C)OC1=O ZINC000795664473 586090334 /nfs/dbraw/zinc/09/03/34/586090334.db2.gz FEFZEWOOAJNHFD-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)[C@@H]1CC(C)(C)OC1=O ZINC000795664473 586090335 /nfs/dbraw/zinc/09/03/35/586090335.db2.gz FEFZEWOOAJNHFD-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795661304 586090555 /nfs/dbraw/zinc/09/05/55/586090555.db2.gz JKSCCJUACDORNK-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795661304 586090556 /nfs/dbraw/zinc/09/05/56/586090556.db2.gz JKSCCJUACDORNK-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO C[N@H+](C[C@@H]1CCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795685227 586091198 /nfs/dbraw/zinc/09/11/98/586091198.db2.gz QLMUHKSMXDIKFV-UWVGGRQHSA-N 1 2 227.304 1.191 20 0 BDADLO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795685227 586091199 /nfs/dbraw/zinc/09/11/99/586091199.db2.gz QLMUHKSMXDIKFV-UWVGGRQHSA-N 1 2 227.304 1.191 20 0 BDADLO CCOC(=O)[C@@H](NCc1c[nH+]c[nH]1)C(C)(C)C ZINC000796448367 586103264 /nfs/dbraw/zinc/10/32/64/586103264.db2.gz IVTLXYCJWLIOEA-SNVBAGLBSA-N 1 2 239.319 1.477 20 0 BDADLO CCOC(=O)[C@@H](NCc1c[nH]c[nH+]1)C(C)(C)C ZINC000796448367 586103265 /nfs/dbraw/zinc/10/32/65/586103265.db2.gz IVTLXYCJWLIOEA-SNVBAGLBSA-N 1 2 239.319 1.477 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cncs1 ZINC000796944128 586117598 /nfs/dbraw/zinc/11/75/98/586117598.db2.gz ZUPICRAJUCHYIC-UHFFFAOYSA-N 1 2 223.257 1.234 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1CC(C)(C)C1 ZINC000797101387 586120399 /nfs/dbraw/zinc/12/03/99/586120399.db2.gz DEFVKJPXRWHTEK-UHFFFAOYSA-N 1 2 222.288 1.900 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cn2ncn(C)c2=S)C1 ZINC000797419140 586126696 /nfs/dbraw/zinc/12/66/96/586126696.db2.gz CYDUWMOGXIBWFQ-SECBINFHSA-N 1 2 238.360 1.807 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000797419140 586126697 /nfs/dbraw/zinc/12/66/97/586126697.db2.gz CYDUWMOGXIBWFQ-SECBINFHSA-N 1 2 238.360 1.807 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnsn1 ZINC000798141100 586138271 /nfs/dbraw/zinc/13/82/71/586138271.db2.gz VCDTUGAVDQPFCQ-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO C[S@](=O)CC[NH+]1Cc2ccccc2C1 ZINC000798194948 586139369 /nfs/dbraw/zinc/13/93/69/586139369.db2.gz KBGYOQCMKVSFTQ-AWEZNQCLSA-N 1 2 209.314 1.381 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)no1 ZINC000799196938 586167302 /nfs/dbraw/zinc/16/73/02/586167302.db2.gz OEQFCHXGFVPNLW-LLVKDONJSA-N 1 2 244.298 1.763 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](c3ccccn3)C2)no1 ZINC000799196938 586167303 /nfs/dbraw/zinc/16/73/03/586167303.db2.gz OEQFCHXGFVPNLW-LLVKDONJSA-N 1 2 244.298 1.763 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000799372955 586174375 /nfs/dbraw/zinc/17/43/75/586174375.db2.gz VXNPXYJIOKWNNT-RYUDHWBXSA-N 1 2 243.347 1.877 20 0 BDADLO COC1CC(C[N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000859349263 589033368 /nfs/dbraw/zinc/03/33/68/589033368.db2.gz VIENETHPQUHFMV-RTBKNWGFSA-N 1 2 235.274 1.113 20 0 BDADLO COC1CC(C[N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000859349263 589033370 /nfs/dbraw/zinc/03/33/70/589033370.db2.gz VIENETHPQUHFMV-RTBKNWGFSA-N 1 2 235.274 1.113 20 0 BDADLO CSCC(C)(C)C(=O)NC1=[NH+]CCS1 ZINC000799872696 586199218 /nfs/dbraw/zinc/19/92/18/586199218.db2.gz XETOMSIFSAWBNQ-UHFFFAOYSA-N 1 2 232.374 1.595 20 0 BDADLO CC(C)=CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801561442 586262449 /nfs/dbraw/zinc/26/24/49/586262449.db2.gz RBCBKCDYHHALHU-VIFPVBQESA-N 1 2 205.248 1.919 20 0 BDADLO CC(C)=CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801561442 586262452 /nfs/dbraw/zinc/26/24/52/586262452.db2.gz RBCBKCDYHHALHU-VIFPVBQESA-N 1 2 205.248 1.919 20 0 BDADLO CC(C)OCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801560506 586262681 /nfs/dbraw/zinc/26/26/81/586262681.db2.gz QVQPFWNTIYNVKK-SECBINFHSA-N 1 2 223.263 1.377 20 0 BDADLO CC(C)OCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801560506 586262684 /nfs/dbraw/zinc/26/26/84/586262684.db2.gz QVQPFWNTIYNVKK-SECBINFHSA-N 1 2 223.263 1.377 20 0 BDADLO CCCCOCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801567700 586264692 /nfs/dbraw/zinc/26/46/92/586264692.db2.gz VCFUDIBJXIXMAF-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO CCCCOCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801567700 586264694 /nfs/dbraw/zinc/26/46/94/586264694.db2.gz VCFUDIBJXIXMAF-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO COc1ccc2c(c1)OCC[N@@H+](CCF)C2 ZINC000801966337 586283618 /nfs/dbraw/zinc/28/36/18/586283618.db2.gz HWSVAXCILFYRAL-UHFFFAOYSA-N 1 2 225.263 1.859 20 0 BDADLO COc1ccc2c(c1)OCC[N@H+](CCF)C2 ZINC000801966337 586283621 /nfs/dbraw/zinc/28/36/21/586283621.db2.gz HWSVAXCILFYRAL-UHFFFAOYSA-N 1 2 225.263 1.859 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000802010596 586285513 /nfs/dbraw/zinc/28/55/13/586285513.db2.gz FOBHGWMAZIZXLC-NSHDSACASA-N 1 2 244.697 1.641 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000802010596 586285515 /nfs/dbraw/zinc/28/55/15/586285515.db2.gz FOBHGWMAZIZXLC-NSHDSACASA-N 1 2 244.697 1.641 20 0 BDADLO Cc1[nH]c(C(=O)NCc2c[nH+]c[nH]2)c(C)c1C=O ZINC000859500171 589041128 /nfs/dbraw/zinc/04/11/28/589041128.db2.gz XRDHNOPPPUAIBU-UHFFFAOYSA-N 1 2 246.270 1.097 20 0 BDADLO Cc1[nH]c(C(=O)NCc2c[nH]c[nH+]2)c(C)c1C=O ZINC000859500171 589041129 /nfs/dbraw/zinc/04/11/29/589041129.db2.gz XRDHNOPPPUAIBU-UHFFFAOYSA-N 1 2 246.270 1.097 20 0 BDADLO Cc1cc(C)nc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000802098316 586289562 /nfs/dbraw/zinc/28/95/62/586289562.db2.gz LYLUNTFXWULTLR-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO O=C(/C=C\c1cccnc1)OCCn1cc[nH+]c1 ZINC000802228674 586296677 /nfs/dbraw/zinc/29/66/77/586296677.db2.gz QFKWYRPDWHUUQB-ARJAWSKDSA-N 1 2 243.266 1.535 20 0 BDADLO CC[C@@](C)(OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802232896 586297135 /nfs/dbraw/zinc/29/71/35/586297135.db2.gz LQIPVWDWYVPQCW-CMPLNLGQSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@](C)(OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802232896 586297137 /nfs/dbraw/zinc/29/71/37/586297137.db2.gz LQIPVWDWYVPQCW-CMPLNLGQSA-N 1 2 247.310 1.389 20 0 BDADLO Cc1ocnc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802242891 586298586 /nfs/dbraw/zinc/29/85/86/586298586.db2.gz SVTXZRIGSKIYMG-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO Cc1ocnc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802242891 586298587 /nfs/dbraw/zinc/29/85/87/586298587.db2.gz SVTXZRIGSKIYMG-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCSC1 ZINC000802239071 586298630 /nfs/dbraw/zinc/29/86/30/586298630.db2.gz RVWKLRWPFLEZAC-UWVGGRQHSA-N 1 2 247.335 1.327 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CCSC1 ZINC000802239071 586298632 /nfs/dbraw/zinc/29/86/32/586298632.db2.gz RVWKLRWPFLEZAC-UWVGGRQHSA-N 1 2 247.335 1.327 20 0 BDADLO CC(C)C(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000802248955 586300062 /nfs/dbraw/zinc/30/00/62/586300062.db2.gz ZCVFUEOUEQDZCD-NSHDSACASA-N 1 2 229.320 1.341 20 0 BDADLO C[C@H]1CN(C[N@@H+]2C[C@@H](C)OC[C@H]2C)C(=O)[C@@H]1C ZINC000839960051 586300627 /nfs/dbraw/zinc/30/06/27/586300627.db2.gz NLLZZJFCFJKALE-IRCOFANPSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CN(C[N@H+]2C[C@@H](C)OC[C@H]2C)C(=O)[C@@H]1C ZINC000839960051 586300630 /nfs/dbraw/zinc/30/06/30/586300630.db2.gz NLLZZJFCFJKALE-IRCOFANPSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1C[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@@H](C)CO1 ZINC000839959258 586300933 /nfs/dbraw/zinc/30/09/33/586300933.db2.gz KNVRGOYEDIDIAT-YFKTTZPYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@H]1C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@@H](C)CO1 ZINC000839959258 586300935 /nfs/dbraw/zinc/30/09/35/586300935.db2.gz KNVRGOYEDIDIAT-YFKTTZPYSA-N 1 2 238.331 1.064 20 0 BDADLO CC[C@H]1C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)CCO1 ZINC000839961673 586302078 /nfs/dbraw/zinc/30/20/78/586302078.db2.gz VGQYMVMYOOMSBO-TUAOUCFPSA-N 1 2 238.331 1.066 20 0 BDADLO CC[C@H]1C[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)CCO1 ZINC000839961673 586302075 /nfs/dbraw/zinc/30/20/75/586302075.db2.gz VGQYMVMYOOMSBO-TUAOUCFPSA-N 1 2 238.331 1.066 20 0 BDADLO CC1C[NH+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000802651599 586307764 /nfs/dbraw/zinc/30/77/64/586307764.db2.gz RXBKNIQMGPYPAM-UHFFFAOYSA-N 1 2 228.299 1.719 20 0 BDADLO CCn1ncc(C[N@@H+]2CCCC(F)(F)CC2)n1 ZINC000859540598 589043833 /nfs/dbraw/zinc/04/38/33/589043833.db2.gz JEPSFEGGTDCIKA-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO CCn1ncc(C[N@H+]2CCCC(F)(F)CC2)n1 ZINC000859540598 589043835 /nfs/dbraw/zinc/04/38/35/589043835.db2.gz JEPSFEGGTDCIKA-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO C[N@H+](Cc1cnsn1)CC1(C)COC1 ZINC000859573143 589046552 /nfs/dbraw/zinc/04/65/52/589046552.db2.gz UUUGAAIGKLWHBW-UHFFFAOYSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@@H+](Cc1cnsn1)CC1(C)COC1 ZINC000859573143 589046554 /nfs/dbraw/zinc/04/65/54/589046554.db2.gz UUUGAAIGKLWHBW-UHFFFAOYSA-N 1 2 213.306 1.006 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)CC1CC1)[NH+](C)C ZINC000803496986 586361646 /nfs/dbraw/zinc/36/16/46/586361646.db2.gz JWJOACXSLRNFOU-LBPRGKRZSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@H]1CN(C[N@H+](C)Cc2cccn2C)C(=O)[C@H]1C ZINC000840024339 586383643 /nfs/dbraw/zinc/38/36/43/586383643.db2.gz FEBOTTSTLQSGCL-RYUDHWBXSA-N 1 2 249.358 1.529 20 0 BDADLO C[C@H]1CN(C[N@@H+](C)Cc2cccn2C)C(=O)[C@H]1C ZINC000840024339 586383644 /nfs/dbraw/zinc/38/36/44/586383644.db2.gz FEBOTTSTLQSGCL-RYUDHWBXSA-N 1 2 249.358 1.529 20 0 BDADLO CC1=CC[N@H+](CN2Cc3cccnc3C2=O)CC1 ZINC000840037464 586386673 /nfs/dbraw/zinc/38/66/73/586386673.db2.gz PYFGUMJXOFAQHE-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO CC1=CC[N@@H+](CN2Cc3cccnc3C2=O)CC1 ZINC000840037464 586386675 /nfs/dbraw/zinc/38/66/75/586386675.db2.gz PYFGUMJXOFAQHE-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO O=C(C=C1CCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333888 586391610 /nfs/dbraw/zinc/39/16/10/586391610.db2.gz SAICFOUKVJTQLS-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO CSc1cnc(N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000804348238 586393038 /nfs/dbraw/zinc/39/30/38/586393038.db2.gz OFODBMBDEUSAJS-SECBINFHSA-N 1 2 249.343 1.896 20 0 BDADLO CCn1nc(C)c(C[NH+](C2CC2)C2CC2)n1 ZINC000859627746 589050413 /nfs/dbraw/zinc/05/04/13/589050413.db2.gz UYWBZAIZJTXFCR-UHFFFAOYSA-N 1 2 220.320 1.733 20 0 BDADLO CC1=CCC[N@H+](CN2Cc3cccnc3C2=O)C1 ZINC000840061841 586412687 /nfs/dbraw/zinc/41/26/87/586412687.db2.gz FLLRCVWZRHKZMS-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO CC1=CCC[N@@H+](CN2Cc3cccnc3C2=O)C1 ZINC000840061841 586412689 /nfs/dbraw/zinc/41/26/89/586412689.db2.gz FLLRCVWZRHKZMS-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[C@H]21 ZINC000806725793 586416818 /nfs/dbraw/zinc/41/68/18/586416818.db2.gz UYQUCCGHLGRHOR-VHSXEESVSA-N 1 2 234.303 1.114 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccn(C(C)C)n2)n1 ZINC000843144704 586431829 /nfs/dbraw/zinc/43/18/29/586431829.db2.gz IGQFZLFLENKVJY-UHFFFAOYSA-N 1 2 249.318 1.547 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2CCC[C@](C)(F)C2)C(=O)[C@H]1C ZINC000840098509 586445644 /nfs/dbraw/zinc/44/56/44/586445644.db2.gz HXERELIGLHDCCV-MDZLAQPJSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CN(C[N@H+]2CCC[C@](C)(F)C2)C(=O)[C@H]1C ZINC000840098509 586445645 /nfs/dbraw/zinc/44/56/45/586445645.db2.gz HXERELIGLHDCCV-MDZLAQPJSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2CC[C@H](F)C2)C(=O)[C@H]1C ZINC000840102532 586446684 /nfs/dbraw/zinc/44/66/84/586446684.db2.gz NLIUQXGELDJVPG-UTLUCORTSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@@H]1CN(C[N@H+]2CC[C@H](F)C2)C(=O)[C@H]1C ZINC000840102532 586446686 /nfs/dbraw/zinc/44/66/86/586446686.db2.gz NLIUQXGELDJVPG-UTLUCORTSA-N 1 2 214.284 1.102 20 0 BDADLO Cn1c[nH+]c(CNc2cnn(C(C)(C)C)c2)c1 ZINC000808401253 586470994 /nfs/dbraw/zinc/47/09/94/586470994.db2.gz DINKENPYPSPSFS-UHFFFAOYSA-N 1 2 233.319 1.984 20 0 BDADLO CCc1noc(CC)c1C[NH2+]Cc1cn(C)cn1 ZINC000808394507 586471313 /nfs/dbraw/zinc/47/13/13/586471313.db2.gz MSJUMMMPGGSJGA-UHFFFAOYSA-N 1 2 248.330 1.823 20 0 BDADLO Cn1ncc(C[NH2+]Cc2scnc2C2CC2)n1 ZINC000808418037 586471815 /nfs/dbraw/zinc/47/18/15/586471815.db2.gz ZZLCHVSHJRPUMT-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)C(C)C ZINC000808736058 586486188 /nfs/dbraw/zinc/48/61/88/586486188.db2.gz ISCQHKRILYUGAH-JTQLQIEISA-N 1 2 229.320 1.485 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)C(C)C ZINC000808736058 586486187 /nfs/dbraw/zinc/48/61/87/586486187.db2.gz ISCQHKRILYUGAH-JTQLQIEISA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000808757042 586489014 /nfs/dbraw/zinc/48/90/14/586489014.db2.gz COEDJBCJDLHDGD-JTQLQIEISA-N 1 2 235.274 1.568 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000808757042 586489016 /nfs/dbraw/zinc/48/90/16/586489016.db2.gz COEDJBCJDLHDGD-JTQLQIEISA-N 1 2 235.274 1.568 20 0 BDADLO FCC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000808792025 586490373 /nfs/dbraw/zinc/49/03/73/586490373.db2.gz FASKRWOAWINTTG-UHFFFAOYSA-N 1 2 223.247 1.829 20 0 BDADLO FCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000808792025 586490374 /nfs/dbraw/zinc/49/03/74/586490374.db2.gz FASKRWOAWINTTG-UHFFFAOYSA-N 1 2 223.247 1.829 20 0 BDADLO Cc1nonc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000809744282 586516259 /nfs/dbraw/zinc/51/62/59/586516259.db2.gz DMHYJHBOKIHNIA-LLVKDONJSA-N 1 2 244.298 1.940 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccccc1N(C)C ZINC000809744115 586516345 /nfs/dbraw/zinc/51/63/45/586516345.db2.gz VWWYEQQZTPIGHT-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000809745514 586516462 /nfs/dbraw/zinc/51/64/62/586516462.db2.gz WIPSIXMWWYGAAX-UHFFFAOYSA-N 1 2 249.318 1.754 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809948035 586525115 /nfs/dbraw/zinc/52/51/15/586525115.db2.gz QPQBLAGPMFATFU-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809948035 586525116 /nfs/dbraw/zinc/52/51/16/586525116.db2.gz QPQBLAGPMFATFU-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cnn(C)n1 ZINC000809948033 586525148 /nfs/dbraw/zinc/52/51/48/586525148.db2.gz QPQBLAGPMFATFU-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cnn(C)n1 ZINC000809948033 586525149 /nfs/dbraw/zinc/52/51/49/586525149.db2.gz QPQBLAGPMFATFU-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)n1 ZINC000809998821 586529924 /nfs/dbraw/zinc/52/99/24/586529924.db2.gz WDPUISSJSHJPGI-VXNVDRBHSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)n1 ZINC000809998821 586529925 /nfs/dbraw/zinc/52/99/25/586529925.db2.gz WDPUISSJSHJPGI-VXNVDRBHSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CCC1(F)F ZINC000810044507 586532209 /nfs/dbraw/zinc/53/22/09/586532209.db2.gz BVEGNMQPNNGRJP-SFYZADRCSA-N 1 2 219.231 1.279 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)CCC1(F)F ZINC000810044507 586532210 /nfs/dbraw/zinc/53/22/10/586532210.db2.gz BVEGNMQPNNGRJP-SFYZADRCSA-N 1 2 219.231 1.279 20 0 BDADLO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000810204599 586536943 /nfs/dbraw/zinc/53/69/43/586536943.db2.gz BKQWATRFJFHXRJ-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000810204599 586536945 /nfs/dbraw/zinc/53/69/45/586536945.db2.gz BKQWATRFJFHXRJ-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204599 586536946 /nfs/dbraw/zinc/53/69/46/586536946.db2.gz BKQWATRFJFHXRJ-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204599 586536948 /nfs/dbraw/zinc/53/69/48/586536948.db2.gz BKQWATRFJFHXRJ-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(F)CCCCC1 ZINC000810345029 586538574 /nfs/dbraw/zinc/53/85/74/586538574.db2.gz PCCPSTXOMHVFQX-UHFFFAOYSA-N 1 2 239.294 1.709 20 0 BDADLO CCC(C)(CC)C(=O)NCc1c[nH+]cn1C ZINC000811589611 586561828 /nfs/dbraw/zinc/56/18/28/586561828.db2.gz ZBKPXXMHDLLALK-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO CC[C@@H](C)NC(=S)NCc1c[nH+]cn1C ZINC000811700593 586565751 /nfs/dbraw/zinc/56/57/51/586565751.db2.gz CTQAWDXCYAKBKN-MRVPVSSYSA-N 1 2 226.349 1.183 20 0 BDADLO CC1(NC(=S)N2CCn3c[nH+]cc3C2)CC1 ZINC000811712354 586566050 /nfs/dbraw/zinc/56/60/50/586566050.db2.gz QRQBRRJETAEEEF-UHFFFAOYSA-N 1 2 236.344 1.126 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCCCC1 ZINC000811808389 586566903 /nfs/dbraw/zinc/56/69/03/586566903.db2.gz HGMJYTUVDHCBJA-JTQLQIEISA-N 1 2 248.330 1.463 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCCCC1 ZINC000811808389 586566904 /nfs/dbraw/zinc/56/69/04/586566904.db2.gz HGMJYTUVDHCBJA-JTQLQIEISA-N 1 2 248.330 1.463 20 0 BDADLO c1cn(CCNc2ncc3c(n2)CCCC3)c[nH+]1 ZINC000840238227 586567473 /nfs/dbraw/zinc/56/74/73/586567473.db2.gz CGAPSEGTGWCRNJ-UHFFFAOYSA-N 1 2 243.314 1.664 20 0 BDADLO CC[N@H+](CC(=O)OCC(C)C)[C@@H]1CCOC1 ZINC000812879335 586588409 /nfs/dbraw/zinc/58/84/09/586588409.db2.gz OKIVRQLHSFIRMD-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC[N@@H+](CC(=O)OCC(C)C)[C@@H]1CCOC1 ZINC000812879335 586588410 /nfs/dbraw/zinc/58/84/10/586588410.db2.gz OKIVRQLHSFIRMD-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CSCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842656669 586588910 /nfs/dbraw/zinc/58/89/10/586588910.db2.gz OKESBZMSVMHAJV-VIFPVBQESA-N 1 2 248.348 1.043 20 0 BDADLO Cc1nc(CNc2cc(N(C)C)nc[nH+]2)cs1 ZINC000813354813 586601017 /nfs/dbraw/zinc/60/10/17/586601017.db2.gz GPWRXYFFGYXJAZ-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1nc(CNc2cc(N(C)C)[nH+]cn2)cs1 ZINC000813354813 586601018 /nfs/dbraw/zinc/60/10/18/586601018.db2.gz GPWRXYFFGYXJAZ-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO C[N@H+](C[C@@H]1CCC=CO1)[C@H]1CC(C)(C)OC1=O ZINC000814179588 586615887 /nfs/dbraw/zinc/61/58/87/586615887.db2.gz VLLYFRGALPYYNT-QWRGUYRKSA-N 1 2 239.315 1.705 20 0 BDADLO C[N@@H+](C[C@@H]1CCC=CO1)[C@H]1CC(C)(C)OC1=O ZINC000814179588 586615888 /nfs/dbraw/zinc/61/58/88/586615888.db2.gz VLLYFRGALPYYNT-QWRGUYRKSA-N 1 2 239.315 1.705 20 0 BDADLO Cn1cccc1C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814180656 586615911 /nfs/dbraw/zinc/61/59/11/586615911.db2.gz QMCBVRRRNNJURX-LLVKDONJSA-N 1 2 236.315 1.551 20 0 BDADLO Cn1cccc1C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814180656 586615912 /nfs/dbraw/zinc/61/59/12/586615912.db2.gz QMCBVRRRNNJURX-LLVKDONJSA-N 1 2 236.315 1.551 20 0 BDADLO CO[C@@H]1CCCC[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000814800182 586635359 /nfs/dbraw/zinc/63/53/59/586635359.db2.gz MOBQRBBSLWUOAQ-RKDXNWHRSA-N 1 2 242.344 1.411 20 0 BDADLO Cn1ncc(CNc2c[nH+]c3c(c2)CCCC3)n1 ZINC000815134502 586668608 /nfs/dbraw/zinc/66/86/08/586668608.db2.gz AXLNFDVORWOMFS-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO C[C@H](C(=O)OCCc1c[nH+]cn1C)C(C)(F)F ZINC000816030029 586704721 /nfs/dbraw/zinc/70/47/21/586704721.db2.gz AJNVJFOPKLYHAY-MRVPVSSYSA-N 1 2 246.257 1.797 20 0 BDADLO CC[C@H](NC(=O)c1cc(C=O)c[nH]1)c1[nH]cc[nH+]1 ZINC000816144294 586710863 /nfs/dbraw/zinc/71/08/63/586710863.db2.gz SROVTLJNCIXQAR-VIFPVBQESA-N 1 2 246.270 1.431 20 0 BDADLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccoc2)C1 ZINC000816635209 586746419 /nfs/dbraw/zinc/74/64/19/586746419.db2.gz HAPRZPURNLIILE-NSHDSACASA-N 1 2 241.262 1.613 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccccc1 ZINC000816809699 586765397 /nfs/dbraw/zinc/76/53/97/586765397.db2.gz IFTHIUDJYODODT-UHFFFAOYSA-N 1 2 229.283 1.311 20 0 BDADLO C[C@@H]1[C@H](C)SCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816928997 586772122 /nfs/dbraw/zinc/77/21/22/586772122.db2.gz YNXMXDLEUVNGNL-BDAKNGLRSA-N 1 2 239.344 1.305 20 0 BDADLO CC1=CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816974681 586775539 /nfs/dbraw/zinc/77/55/39/586775539.db2.gz KYZLKJCXYUSKOL-UHFFFAOYSA-N 1 2 205.261 1.131 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816971834 586775629 /nfs/dbraw/zinc/77/56/29/586775629.db2.gz RNTVODDMLDMQBR-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1cc(CNC(=O)C(C)(F)F)cc(C)[nH+]1 ZINC000817388241 586800037 /nfs/dbraw/zinc/80/00/37/586800037.db2.gz DDHGNRLXRBYJCF-UHFFFAOYSA-N 1 2 228.242 1.970 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@H]2CC23CC3)C1 ZINC000817730698 586822156 /nfs/dbraw/zinc/82/21/56/586822156.db2.gz MPWOMYSNKWUCGJ-LLVKDONJSA-N 1 2 239.315 1.050 20 0 BDADLO CON(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817785722 586828259 /nfs/dbraw/zinc/82/82/59/586828259.db2.gz MTJGCSBCCGKXCH-UHFFFAOYSA-N 1 2 223.276 1.401 20 0 BDADLO CCC[C@@H](C)c1noc([C@@H]([NH3+])CC(=O)OC)n1 ZINC000817864916 586831000 /nfs/dbraw/zinc/83/10/00/586831000.db2.gz RCHABKKJEJWVAG-SFYZADRCSA-N 1 2 241.291 1.536 20 0 BDADLO FCC[C@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000859904137 589069504 /nfs/dbraw/zinc/06/95/04/589069504.db2.gz WOYLYDSEOTWLMF-ARLXTTGXSA-N 1 2 207.676 1.799 20 0 BDADLO FCC[C@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000859904137 589069506 /nfs/dbraw/zinc/06/95/06/589069506.db2.gz WOYLYDSEOTWLMF-ARLXTTGXSA-N 1 2 207.676 1.799 20 0 BDADLO CO[C@H](CO[NH+]=C(N)[C@H]1CCCO1)C1CC1 ZINC000818084709 586871589 /nfs/dbraw/zinc/87/15/89/586871589.db2.gz GGULZYNPNDYVCJ-NXEZZACHSA-N 1 2 228.292 1.089 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccccn2)n1 ZINC000818220964 586879419 /nfs/dbraw/zinc/87/94/19/586879419.db2.gz JRIWHUHPTCNMHY-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccncc2)n1 ZINC000818219855 586879852 /nfs/dbraw/zinc/87/98/52/586879852.db2.gz DSPJZHOURDGUMS-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C ZINC000818615353 586906456 /nfs/dbraw/zinc/90/64/56/586906456.db2.gz JVEDBRYDFDKNTB-AOOOYVTPSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C ZINC000818615353 586906457 /nfs/dbraw/zinc/90/64/57/586906457.db2.gz JVEDBRYDFDKNTB-AOOOYVTPSA-N 1 2 240.347 1.153 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000819283728 586947543 /nfs/dbraw/zinc/94/75/43/586947543.db2.gz IPTRTNFUCIGQBN-MVZIDQBPSA-N 1 2 247.298 1.002 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000840381231 586956278 /nfs/dbraw/zinc/95/62/78/586956278.db2.gz HMPUEGMGJKATHU-BDAKNGLRSA-N 1 2 234.303 1.426 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C(F)=C2CCC2)C1 ZINC000819500617 586970840 /nfs/dbraw/zinc/97/08/40/586970840.db2.gz KITGFTFDDCLXFJ-UHFFFAOYSA-N 1 2 226.295 1.603 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)C2CCCC2)S1 ZINC000819759462 586990281 /nfs/dbraw/zinc/99/02/81/586990281.db2.gz HUPJQSWYJUAHJD-ZETCQYMHSA-N 1 2 212.318 1.784 20 0 BDADLO C=C=CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000820189278 587033292 /nfs/dbraw/zinc/03/32/92/587033292.db2.gz BRKANYODBLPRPK-UHFFFAOYSA-N 1 2 227.267 1.334 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CCCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000820228851 587037322 /nfs/dbraw/zinc/03/73/22/587037322.db2.gz UXUOSOBCSLCEGG-MNOVXSKESA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CCCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000820228851 587037320 /nfs/dbraw/zinc/03/73/20/587037320.db2.gz UXUOSOBCSLCEGG-MNOVXSKESA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H](NC(=O)/C=C\C1CC1)c1[nH]cc[nH+]1 ZINC000820275500 587039995 /nfs/dbraw/zinc/03/99/95/587039995.db2.gz PPVYCNNSPGCHQH-PULIVWKDSA-N 1 2 205.261 1.553 20 0 BDADLO C[C@@H](NC(=O)C=CC1CC1)c1[nH]cc[nH+]1 ZINC000820275500 587039997 /nfs/dbraw/zinc/03/99/97/587039997.db2.gz PPVYCNNSPGCHQH-PULIVWKDSA-N 1 2 205.261 1.553 20 0 BDADLO Cc1cnc(N[C@@H](C)C[NH+]2CCOCC2)o1 ZINC000820630478 587060199 /nfs/dbraw/zinc/06/01/99/587060199.db2.gz USILETDWIGFASC-VIFPVBQESA-N 1 2 225.292 1.116 20 0 BDADLO CC(=O)CC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000860170579 589085544 /nfs/dbraw/zinc/08/55/44/589085544.db2.gz XHTINCBXAROZNU-UHFFFAOYSA-N 1 2 237.274 1.999 20 0 BDADLO CC(=O)CC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000860170579 589085545 /nfs/dbraw/zinc/08/55/45/589085545.db2.gz XHTINCBXAROZNU-UHFFFAOYSA-N 1 2 237.274 1.999 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000821332640 587108555 /nfs/dbraw/zinc/10/85/55/587108555.db2.gz SSQYYZRESQNTQM-CYBMUJFWSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC=C(c2ccccn2)C1 ZINC000821332640 587108556 /nfs/dbraw/zinc/10/85/56/587108556.db2.gz SSQYYZRESQNTQM-CYBMUJFWSA-N 1 2 244.294 1.486 20 0 BDADLO O=C(C[C@H]1CC=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821385691 587115237 /nfs/dbraw/zinc/11/52/37/587115237.db2.gz NFMZXXBGDHHGMH-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC=CC1 ZINC000821387130 587115248 /nfs/dbraw/zinc/11/52/48/587115248.db2.gz YAEHGELXINDYBI-SNVBAGLBSA-N 1 2 231.299 1.280 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607697 587132542 /nfs/dbraw/zinc/13/25/42/587132542.db2.gz AOSREIIJGMVYJB-MWLCHTKSSA-N 1 2 234.299 1.847 20 0 BDADLO CCC[C@H](O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821786628 587138009 /nfs/dbraw/zinc/13/80/09/587138009.db2.gz MJBZFSKHFVZVGM-BBBLOLIVSA-N 1 2 237.303 1.166 20 0 BDADLO CCC(F)(F)C(=O)NCCn1cc[nH+]c1 ZINC000821929746 587147026 /nfs/dbraw/zinc/14/70/26/587147026.db2.gz BGEDMHFQEPHPJO-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOCC1CCC1 ZINC000822273165 587160400 /nfs/dbraw/zinc/16/04/00/587160400.db2.gz FKAUJLYMSRFMRS-UHFFFAOYSA-N 1 2 235.287 1.665 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H]2CCC=CO2)[nH+]1 ZINC000822276028 587160555 /nfs/dbraw/zinc/16/05/55/587160555.db2.gz DQUPDBXRIPJSTP-LLVKDONJSA-N 1 2 249.314 1.324 20 0 BDADLO CCOCC(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822326333 587162521 /nfs/dbraw/zinc/16/25/21/587162521.db2.gz QUKDZWCXQGYMNZ-UHFFFAOYSA-N 1 2 240.303 1.787 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC000822803908 587186584 /nfs/dbraw/zinc/18/65/84/587186584.db2.gz SYYSIXWHVRURRH-LLVKDONJSA-N 1 2 247.298 2.000 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC000822803917 587186718 /nfs/dbraw/zinc/18/67/18/587186718.db2.gz SYYSIXWHVRURRH-NSHDSACASA-N 1 2 247.298 2.000 20 0 BDADLO CCn1ccnc1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822805240 587187165 /nfs/dbraw/zinc/18/71/65/587187165.db2.gz CJNOFMYDDQCKIA-PLNGDYQASA-N 1 2 245.286 1.288 20 0 BDADLO CC/C(C)=C\C(=O)N(C)CC[NH+]1CCOCC1 ZINC000823019773 587198342 /nfs/dbraw/zinc/19/83/42/587198342.db2.gz AIFXAOLDRANDLV-QXMHVHEDSA-N 1 2 240.347 1.133 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000823113447 587203772 /nfs/dbraw/zinc/20/37/72/587203772.db2.gz YEVNHYOCWYSLBB-ZKQHCESOSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000823113447 587203773 /nfs/dbraw/zinc/20/37/73/587203773.db2.gz YEVNHYOCWYSLBB-ZKQHCESOSA-N 1 2 240.347 1.180 20 0 BDADLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000823194851 587207396 /nfs/dbraw/zinc/20/73/96/587207396.db2.gz XCQRZVBOZCQXIJ-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000823452953 587222968 /nfs/dbraw/zinc/22/29/68/587222968.db2.gz HMRGQEAOURZLJU-VIFPVBQESA-N 1 2 240.376 1.544 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000823452953 587222969 /nfs/dbraw/zinc/22/29/69/587222969.db2.gz HMRGQEAOURZLJU-VIFPVBQESA-N 1 2 240.376 1.544 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000823452952 587223144 /nfs/dbraw/zinc/22/31/44/587223144.db2.gz HMRGQEAOURZLJU-SECBINFHSA-N 1 2 240.376 1.544 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCSC[C@H]2C)n1 ZINC000823452952 587223146 /nfs/dbraw/zinc/22/31/46/587223146.db2.gz HMRGQEAOURZLJU-SECBINFHSA-N 1 2 240.376 1.544 20 0 BDADLO CCCONC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823608914 587232625 /nfs/dbraw/zinc/23/26/25/587232625.db2.gz QNCLLPORMDKGNA-UHFFFAOYSA-N 1 2 219.244 1.634 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)C=CCC1 ZINC000823628759 587233477 /nfs/dbraw/zinc/23/34/77/587233477.db2.gz ZJJBOBPKITXVOS-FZMZJTMJSA-N 1 2 245.326 1.670 20 0 BDADLO CC1(CCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000823634606 587233827 /nfs/dbraw/zinc/23/38/27/587233827.db2.gz MGRVKBHRYHQYMB-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N[C@H]1CCn2cc[nH+]c21 ZINC000823655174 587234599 /nfs/dbraw/zinc/23/45/99/587234599.db2.gz KTOGMWHAKUIHOJ-VLEAKVRGSA-N 1 2 246.314 1.426 20 0 BDADLO C[C@H](C(=O)Oc1cccc2c1OCCC2)[NH+](C)C ZINC000824025488 587249077 /nfs/dbraw/zinc/24/90/77/587249077.db2.gz GKJHOZLBPMCYED-SNVBAGLBSA-N 1 2 249.310 1.867 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1cc(F)ncc1F ZINC000824153471 587258429 /nfs/dbraw/zinc/25/84/29/587258429.db2.gz MHAFTQVWVNMMBL-ZETCQYMHSA-N 1 2 216.231 1.172 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1cc(F)ncc1F ZINC000824153471 587258430 /nfs/dbraw/zinc/25/84/30/587258430.db2.gz MHAFTQVWVNMMBL-ZETCQYMHSA-N 1 2 216.231 1.172 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ncc1F ZINC000824272149 587264025 /nfs/dbraw/zinc/26/40/25/587264025.db2.gz SJMXRZPYTGXBEZ-VXNVDRBHSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ncc1F ZINC000824272149 587264026 /nfs/dbraw/zinc/26/40/26/587264026.db2.gz SJMXRZPYTGXBEZ-VXNVDRBHSA-N 1 2 228.242 1.315 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000824277446 587264664 /nfs/dbraw/zinc/26/46/64/587264664.db2.gz UTEQIZSPVURQMF-VWYCJHECSA-N 1 2 245.388 1.915 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000824276806 587264699 /nfs/dbraw/zinc/26/46/99/587264699.db2.gz MROIUSRTVVKEFW-WRWGMCAJSA-N 1 2 243.347 1.730 20 0 BDADLO CCn1nc(C)c(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000824313884 587265753 /nfs/dbraw/zinc/26/57/53/587265753.db2.gz CZIBOFKCNANCLP-RKDXNWHRSA-N 1 2 208.309 1.589 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(C)o1 ZINC000824909101 587293080 /nfs/dbraw/zinc/29/30/80/587293080.db2.gz IVZLPXJRIURPAQ-MRVPVSSYSA-N 1 2 222.288 1.217 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)c(C)o1 ZINC000824909101 587293082 /nfs/dbraw/zinc/29/30/82/587293082.db2.gz IVZLPXJRIURPAQ-MRVPVSSYSA-N 1 2 222.288 1.217 20 0 BDADLO CC(C)C1(C(=O)N[C@@H]2CCn3c[nH+]cc32)COC1 ZINC000825513009 587322542 /nfs/dbraw/zinc/32/25/42/587322542.db2.gz NVIKVZRQMDHNPH-SNVBAGLBSA-N 1 2 249.314 1.117 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@]12C[C@H]1CCC2 ZINC000825512338 587322732 /nfs/dbraw/zinc/32/27/32/587322732.db2.gz BSCLVVINKCOJME-GBIKHYSHSA-N 1 2 231.299 1.634 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC=CC1 ZINC000825513859 587322851 /nfs/dbraw/zinc/32/28/51/587322851.db2.gz WWKJEVREPSRNAP-JTQLQIEISA-N 1 2 231.299 1.800 20 0 BDADLO CC(C)(C)SCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000825640986 587328549 /nfs/dbraw/zinc/32/85/49/587328549.db2.gz KJLMRURZNKCERT-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO Cc1cc[nH+]c(N(C)C2CCC2)c1-c1nn[nH]n1 ZINC000826309215 587352084 /nfs/dbraw/zinc/35/20/84/587352084.db2.gz HWEMJRPTUHWMNP-UHFFFAOYSA-N 1 2 244.302 1.559 20 0 BDADLO Cc1cc[nH+]c(N2CC[C@H]2C)c1-c1nn[nH]n1 ZINC000826310000 587352171 /nfs/dbraw/zinc/35/21/71/587352171.db2.gz IUNZNDDDESYJGC-MRVPVSSYSA-N 1 2 230.275 1.169 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC3CC2(C)C3)c1 ZINC000826783584 587362446 /nfs/dbraw/zinc/36/24/46/587362446.db2.gz NOLLRQHUYQYJKG-ONEGZZNKSA-N 1 2 231.299 1.444 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(F)nc1 ZINC000827054746 587369130 /nfs/dbraw/zinc/36/91/30/587369130.db2.gz WZHYMMVMSHIAEX-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(F)nc1 ZINC000827054746 587369131 /nfs/dbraw/zinc/36/91/31/587369131.db2.gz WZHYMMVMSHIAEX-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COC(=O)C[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827332213 587377273 /nfs/dbraw/zinc/37/72/73/587377273.db2.gz KXYKWXALNWKKRM-QMMMGPOBSA-N 1 2 240.130 1.675 20 0 BDADLO C[N@H+](CC[S@@](C)=O)Cc1ccc(F)cc1F ZINC000827401015 587379843 /nfs/dbraw/zinc/37/98/43/587379843.db2.gz VSOZJOJPZKUMBQ-MRXNPFEDSA-N 1 2 247.310 1.775 20 0 BDADLO C[N@@H+](CC[S@@](C)=O)Cc1ccc(F)cc1F ZINC000827401015 587379844 /nfs/dbraw/zinc/37/98/44/587379844.db2.gz VSOZJOJPZKUMBQ-MRXNPFEDSA-N 1 2 247.310 1.775 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000827435010 587381065 /nfs/dbraw/zinc/38/10/65/587381065.db2.gz SGSLECUCRZQMMI-MBACFSSFSA-N 1 2 233.315 1.740 20 0 BDADLO CCC(C)=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000827435010 587381066 /nfs/dbraw/zinc/38/10/66/587381066.db2.gz SGSLECUCRZQMMI-MBACFSSFSA-N 1 2 233.315 1.740 20 0 BDADLO CC(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)=C1CCC1 ZINC000827434313 587381074 /nfs/dbraw/zinc/38/10/74/587381074.db2.gz DJISLYHSVVSNDS-NSHDSACASA-N 1 2 245.326 1.884 20 0 BDADLO CC(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)=C1CCC1 ZINC000827434313 587381075 /nfs/dbraw/zinc/38/10/75/587381075.db2.gz DJISLYHSVVSNDS-NSHDSACASA-N 1 2 245.326 1.884 20 0 BDADLO CCCONC(=O)NCCCCn1cc[nH+]c1 ZINC000828252511 587428140 /nfs/dbraw/zinc/42/81/40/587428140.db2.gz XAIVGMMSKAMTRH-UHFFFAOYSA-N 1 2 240.307 1.304 20 0 BDADLO CCCONC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000828338898 587436879 /nfs/dbraw/zinc/43/68/79/587436879.db2.gz UVDSHEDOFXYCOC-DTWKUNHWSA-N 1 2 238.291 1.530 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000828409089 587440374 /nfs/dbraw/zinc/44/03/74/587440374.db2.gz ZEAJLSKLSJVGKM-YPMHNXCESA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000828409089 587440376 /nfs/dbraw/zinc/44/03/76/587440376.db2.gz ZEAJLSKLSJVGKM-YPMHNXCESA-N 1 2 243.347 1.073 20 0 BDADLO CCC(F)(F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000828405538 587440419 /nfs/dbraw/zinc/44/04/19/587440419.db2.gz YHTVOIOMRFHLHQ-SECBINFHSA-N 1 2 245.273 1.681 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000828544803 587450393 /nfs/dbraw/zinc/45/03/93/587450393.db2.gz HCSJBYWEMMUGCD-VIFPVBQESA-N 1 2 244.289 1.693 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000828544803 587450394 /nfs/dbraw/zinc/45/03/94/587450394.db2.gz HCSJBYWEMMUGCD-VIFPVBQESA-N 1 2 244.289 1.693 20 0 BDADLO C/C=C\C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829057529 587481163 /nfs/dbraw/zinc/48/11/63/587481163.db2.gz ODYARVLBPLHMCA-RQOWECAXSA-N 1 2 231.299 1.750 20 0 BDADLO O=C(C1CCC1)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829110800 587483413 /nfs/dbraw/zinc/48/34/13/587483413.db2.gz FGGYTMSLRTYISN-UHFFFAOYSA-N 1 2 245.326 1.974 20 0 BDADLO O[C@H]1C[N@H+](CC2CC(F)(F)C2)CC(F)(F)C1 ZINC000829150533 587485328 /nfs/dbraw/zinc/48/53/28/587485328.db2.gz CCIYFZRIHWHNDE-MRVPVSSYSA-N 1 2 241.228 1.734 20 0 BDADLO O[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC(F)(F)C1 ZINC000829150533 587485329 /nfs/dbraw/zinc/48/53/29/587485329.db2.gz CCIYFZRIHWHNDE-MRVPVSSYSA-N 1 2 241.228 1.734 20 0 BDADLO CC[C@H](C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829457451 587498810 /nfs/dbraw/zinc/49/88/10/587498810.db2.gz SLZLJJCOCVIODN-VIFPVBQESA-N 1 2 236.319 1.313 20 0 BDADLO CC[C@H](C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829457451 587498811 /nfs/dbraw/zinc/49/88/11/587498811.db2.gz SLZLJJCOCVIODN-VIFPVBQESA-N 1 2 236.319 1.313 20 0 BDADLO CN(CCOC(C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000830504818 587555212 /nfs/dbraw/zinc/55/52/12/587555212.db2.gz FEYHRMSCIPXHKI-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000830668573 587563343 /nfs/dbraw/zinc/56/33/43/587563343.db2.gz RESFZWXEEYQOHY-SNVBAGLBSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nonc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830733933 587566095 /nfs/dbraw/zinc/56/60/95/587566095.db2.gz FPYXGRAQOYKBIR-SECBINFHSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nonc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830733933 587566096 /nfs/dbraw/zinc/56/60/96/587566096.db2.gz FPYXGRAQOYKBIR-SECBINFHSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1ccc(NC(=O)c2ncc[nH]2)c(N(C)C)[nH+]1 ZINC000830890403 587575242 /nfs/dbraw/zinc/57/52/42/587575242.db2.gz NARWFGWBFHKNSN-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC1CC=CC1 ZINC000831434157 587606955 /nfs/dbraw/zinc/60/69/55/587606955.db2.gz UZERDABBQKMKMR-UHFFFAOYSA-N 1 2 233.315 1.815 20 0 BDADLO CC1=NO[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000831607253 587623163 /nfs/dbraw/zinc/62/31/63/587623163.db2.gz KRHDCDXVTHGBKC-VHSXEESVSA-N 1 2 248.286 1.238 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC=C(F)C1 ZINC000831629238 587624625 /nfs/dbraw/zinc/62/46/25/587624625.db2.gz KKARTZMUVNZXPP-UHFFFAOYSA-N 1 2 209.224 1.038 20 0 BDADLO Cc1ccc2c(c1)CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000831664126 587626986 /nfs/dbraw/zinc/62/69/86/587626986.db2.gz OQYRWTRIKOILAG-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000831703143 587628457 /nfs/dbraw/zinc/62/84/57/587628457.db2.gz YHDVVVRGYCFMJL-SECBINFHSA-N 1 2 249.314 1.505 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000831703143 587628458 /nfs/dbraw/zinc/62/84/58/587628458.db2.gz YHDVVVRGYCFMJL-SECBINFHSA-N 1 2 249.314 1.505 20 0 BDADLO Cc1nonc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000831778796 587631487 /nfs/dbraw/zinc/63/14/87/587631487.db2.gz WEKFCGGADXOUAO-NSHDSACASA-N 1 2 239.344 1.705 20 0 BDADLO Cc1nonc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000831778796 587631489 /nfs/dbraw/zinc/63/14/89/587631489.db2.gz WEKFCGGADXOUAO-NSHDSACASA-N 1 2 239.344 1.705 20 0 BDADLO CC(C(=O)N[C@H]1CCc2c[nH+]cn2C1)=C1CCC1 ZINC000832354574 587655739 /nfs/dbraw/zinc/65/57/39/587655739.db2.gz DXHIGEIBPPZPGX-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000832355650 587656023 /nfs/dbraw/zinc/65/60/23/587656023.db2.gz RGHOWVZVEATKFR-SDKXAQGSSA-N 1 2 233.315 1.670 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000832625017 587670813 /nfs/dbraw/zinc/67/08/13/587670813.db2.gz NZRFTAQJJXJAQK-OUAUKWLOSA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)C(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000832708280 587678663 /nfs/dbraw/zinc/67/86/63/587678663.db2.gz JTVLUMNEWQCPLX-UHFFFAOYSA-N 1 2 223.320 1.751 20 0 BDADLO CC(C)[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000832823625 587692167 /nfs/dbraw/zinc/69/21/67/587692167.db2.gz LOPRWAHQXHLLEU-VIFPVBQESA-N 1 2 249.236 1.655 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000833284730 587704596 /nfs/dbraw/zinc/70/45/96/587704596.db2.gz KIZRCARRXBAYLQ-WHOHXGKFSA-N 1 2 245.326 1.880 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000834642257 587762325 /nfs/dbraw/zinc/76/23/25/587762325.db2.gz BYLAZIAHRSMMDS-RKDXNWHRSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCS1 ZINC000834644650 587762534 /nfs/dbraw/zinc/76/25/34/587762534.db2.gz TYNVEGDZWDENTO-UWVGGRQHSA-N 1 2 239.344 1.283 20 0 BDADLO CC(C)(NC(=O)Cc1[nH]cc[nH+]1)C(F)F ZINC000834781893 587767001 /nfs/dbraw/zinc/76/70/01/587767001.db2.gz OXUUKQMLUODHLI-UHFFFAOYSA-N 1 2 217.219 1.112 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(F)F ZINC000836239168 587829461 /nfs/dbraw/zinc/82/94/61/587829461.db2.gz XYHBZVGPLVBNTC-ZETCQYMHSA-N 1 2 231.246 1.735 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836284080 587830138 /nfs/dbraw/zinc/83/01/38/587830138.db2.gz GGCPEHQVLNUFAO-GMTAPVOTSA-N 1 2 248.330 1.816 20 0 BDADLO Cc1cc(NC(=O)NOCCC2CC2)c(C)c[nH+]1 ZINC000836484922 587834274 /nfs/dbraw/zinc/83/42/74/587834274.db2.gz LTGDJHYLUNABJN-UHFFFAOYSA-N 1 2 249.314 1.974 20 0 BDADLO CCC(C)(C)C(=O)NC1=[NH+]CCS1 ZINC000102600567 587839369 /nfs/dbraw/zinc/83/93/69/587839369.db2.gz CYPOJTFPYWQUHY-UHFFFAOYSA-N 1 2 200.307 1.642 20 0 BDADLO CCC1(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)COC1 ZINC000836953367 587843485 /nfs/dbraw/zinc/84/34/85/587843485.db2.gz FDMPLXJTQZBQCY-NXEZZACHSA-N 1 2 249.314 1.432 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)CC(C)C)C1 ZINC000837546741 587881013 /nfs/dbraw/zinc/88/10/13/587881013.db2.gz OZNLKIRABSGYNG-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)CC(C)C)C1 ZINC000837546741 587881014 /nfs/dbraw/zinc/88/10/14/587881014.db2.gz OZNLKIRABSGYNG-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000837716753 587891994 /nfs/dbraw/zinc/89/19/94/587891994.db2.gz FALIHMNYGHPFIZ-OYGDSYQHSA-N 1 2 247.342 1.825 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000837716748 587892062 /nfs/dbraw/zinc/89/20/62/587892062.db2.gz FALIHMNYGHPFIZ-HQQGHWSLSA-N 1 2 247.342 1.825 20 0 BDADLO C[C@@H](CC(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000837717035 587892227 /nfs/dbraw/zinc/89/22/27/587892227.db2.gz IHFAANXHKUPIJF-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C=C2CCCCC2)c1 ZINC000837715216 587892299 /nfs/dbraw/zinc/89/22/99/587892299.db2.gz CVPUXYNBKWAHGG-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO CC(C)CCCC(=O)OCC[NH+]1CCOCC1 ZINC000837828458 587898565 /nfs/dbraw/zinc/89/85/65/587898565.db2.gz LNURJFORCPEMAR-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC=CO1 ZINC000840957237 587931564 /nfs/dbraw/zinc/93/15/64/587931564.db2.gz KDZMNESFMYYCOA-NWDGAFQWSA-N 1 2 239.315 1.610 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NC1=[NH+]CCS1 ZINC000841025888 587935447 /nfs/dbraw/zinc/93/54/47/587935447.db2.gz OVNSKYPIKAUJEF-QMMMGPOBSA-N 1 2 230.333 1.267 20 0 BDADLO CCn1c[nH+]cc1[C@H]1NC2(CCCC2)C(=O)N1C ZINC000841488346 587956382 /nfs/dbraw/zinc/95/63/82/587956382.db2.gz NGNAKFFMNZTGDQ-NSHDSACASA-N 1 2 248.330 1.276 20 0 BDADLO Cc1cc(C)c(CN2C(=O)[C@H](C)NC2=S)c[nH+]1 ZINC000841490092 587956446 /nfs/dbraw/zinc/95/64/46/587956446.db2.gz KFGQCEACPUKHLP-VIFPVBQESA-N 1 2 249.339 1.304 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n(C)n1 ZINC000841870178 587979415 /nfs/dbraw/zinc/97/94/15/587979415.db2.gz WYKYLNDAOPKXNQ-BXKDBHETSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n(C)n1 ZINC000841870178 587979416 /nfs/dbraw/zinc/97/94/16/587979416.db2.gz WYKYLNDAOPKXNQ-BXKDBHETSA-N 1 2 225.311 1.908 20 0 BDADLO COC1(CO[NH+]=C(N)COC(C)C)CCC1 ZINC000842025519 587989811 /nfs/dbraw/zinc/98/98/11/587989811.db2.gz QKFHFNJOVQLOOU-UHFFFAOYSA-N 1 2 230.308 1.479 20 0 BDADLO CO[C@H](CO[NH+]=C(N)COC(C)C)CC(C)C ZINC000842025920 587989996 /nfs/dbraw/zinc/98/99/96/587989996.db2.gz YONIOFFMENUKAV-NSHDSACASA-N 1 2 246.351 1.971 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cncc(C)c1 ZINC000842035939 587991876 /nfs/dbraw/zinc/99/18/76/587991876.db2.gz HWZWPCBCUCFNNE-SECBINFHSA-N 1 2 223.276 1.423 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC[C@H]1CCC(F)(F)C1 ZINC000842035880 587992142 /nfs/dbraw/zinc/99/21/42/587992142.db2.gz FVDMDCLOVCQHCO-YUMQZZPRSA-N 1 2 236.262 1.955 20 0 BDADLO NC(=[NH+]OCCC1CCOCC1)[C@@H]1CCCO1 ZINC000842047631 587992699 /nfs/dbraw/zinc/99/26/99/587992699.db2.gz QMONSSQMANBKGW-NSHDSACASA-N 1 2 242.319 1.481 20 0 BDADLO CC[C@@H](COC(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC000842080498 587996343 /nfs/dbraw/zinc/99/63/43/587996343.db2.gz PVYSFUHOASASIT-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H](COC(=O)[C@H]1CCCC[N@H+]1C)OC ZINC000842080498 587996344 /nfs/dbraw/zinc/99/63/44/587996344.db2.gz PVYSFUHOASASIT-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H](COC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC000842080496 587996744 /nfs/dbraw/zinc/99/67/44/587996744.db2.gz PVYSFUHOASASIT-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H](COC(=O)[C@@H]1CCCC[N@H+]1C)OC ZINC000842080496 587996745 /nfs/dbraw/zinc/99/67/45/587996745.db2.gz PVYSFUHOASASIT-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCC[C@H]1CCOC1 ZINC000842649433 588049002 /nfs/dbraw/zinc/04/90/02/588049002.db2.gz LTARJVOFEJZOMJ-ZJUUUORDSA-N 1 2 230.308 1.336 20 0 BDADLO CCCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655683 588049854 /nfs/dbraw/zinc/04/98/54/588049854.db2.gz HJMQDVCZAUXQNO-SNVBAGLBSA-N 1 2 230.308 1.481 20 0 BDADLO CC(C)=CCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842659763 588050291 /nfs/dbraw/zinc/05/02/91/588050291.db2.gz CXNLXZXQKPSAFV-LLVKDONJSA-N 1 2 242.319 1.504 20 0 BDADLO COc1ccnc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000842725657 588056044 /nfs/dbraw/zinc/05/60/44/588056044.db2.gz GDCDVKZMNFAHSW-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C1(F)CC1 ZINC000842769490 588061111 /nfs/dbraw/zinc/06/11/11/588061111.db2.gz QRNOQIRKYKZEAJ-UHFFFAOYSA-N 1 2 226.251 1.398 20 0 BDADLO COC1(C(=O)OCCCc2[nH+]ccn2C)CC1 ZINC000842769747 588061998 /nfs/dbraw/zinc/06/19/98/588061998.db2.gz UHEGNLREQUGHFF-UHFFFAOYSA-N 1 2 238.287 1.075 20 0 BDADLO CC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842891554 588071082 /nfs/dbraw/zinc/07/10/82/588071082.db2.gz WQCIMBDBZWCKJM-UHFFFAOYSA-N 1 2 206.245 1.081 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCc3c[nH]nc3C2)n1 ZINC000843144722 588086609 /nfs/dbraw/zinc/08/66/09/588086609.db2.gz ITEFXENPJXUWCW-QMMMGPOBSA-N 1 2 247.302 1.175 20 0 BDADLO CC[NH2+]Cc1noc(/C=C/c2cnn(C)c2)n1 ZINC000843145787 588086949 /nfs/dbraw/zinc/08/69/49/588086949.db2.gz PMXPWUXSCNFNJC-SNAWJCMRSA-N 1 2 233.275 1.083 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCc3c[nH]nc3C2)n1 ZINC000843144720 588087135 /nfs/dbraw/zinc/08/71/35/588087135.db2.gz ITEFXENPJXUWCW-MRVPVSSYSA-N 1 2 247.302 1.175 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(F)CC1 ZINC000843539193 588121051 /nfs/dbraw/zinc/12/10/51/588121051.db2.gz NCBOGTRGBJBLNR-UHFFFAOYSA-N 1 2 210.208 1.531 20 0 BDADLO Cc1cc(CNC(=O)C2(F)CC2)cc(C)[nH+]1 ZINC000843608797 588129934 /nfs/dbraw/zinc/12/99/34/588129934.db2.gz QUQAGPVKFRPOOA-UHFFFAOYSA-N 1 2 222.263 1.817 20 0 BDADLO CC/C=C(\F)C(=O)NCCc1c[nH+]cn1C ZINC000867332114 588134777 /nfs/dbraw/zinc/13/47/77/588134777.db2.gz YMTNDIWSGVSXMZ-WMZJFQQLSA-N 1 2 225.267 1.342 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C1(F)CC1 ZINC000843765917 588138993 /nfs/dbraw/zinc/13/89/93/588138993.db2.gz MKRNHHXGRASRPA-UHFFFAOYSA-N 1 2 237.278 1.266 20 0 BDADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(F)CC1 ZINC000843787496 588140364 /nfs/dbraw/zinc/14/03/64/588140364.db2.gz SQWSNEOYMBRYRE-VIFPVBQESA-N 1 2 237.278 1.618 20 0 BDADLO CCON(C(=O)C(C)(C)c1c[nH+]c[nH]1)C(C)C ZINC000844073209 588159629 /nfs/dbraw/zinc/15/96/29/588159629.db2.gz CEXMGBDFTVZKOG-UHFFFAOYSA-N 1 2 239.319 1.876 20 0 BDADLO CCON(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000844076516 588160329 /nfs/dbraw/zinc/16/03/29/588160329.db2.gz RKKRJKWLPIGOLP-UHFFFAOYSA-N 1 2 211.265 1.072 20 0 BDADLO CCCONC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000844082807 588162034 /nfs/dbraw/zinc/16/20/34/588162034.db2.gz HUGSMGVLWCPNCN-UHFFFAOYSA-N 1 2 246.270 1.339 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1cc3n(n1)CCCC3)C2 ZINC000844321741 588184061 /nfs/dbraw/zinc/18/40/61/588184061.db2.gz YXQAWVCFYVICLG-SMDDNHRTSA-N 1 2 247.342 1.034 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cc3n(n1)CCCC3)C2 ZINC000844321741 588184063 /nfs/dbraw/zinc/18/40/63/588184063.db2.gz YXQAWVCFYVICLG-SMDDNHRTSA-N 1 2 247.342 1.034 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438275 588193117 /nfs/dbraw/zinc/19/31/17/588193117.db2.gz NDSHSYJIIKECIR-SNVBAGLBSA-N 1 2 233.258 1.671 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438275 588193119 /nfs/dbraw/zinc/19/31/19/588193119.db2.gz NDSHSYJIIKECIR-SNVBAGLBSA-N 1 2 233.258 1.671 20 0 BDADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)NC1CCCC1 ZINC000844450870 588195317 /nfs/dbraw/zinc/19/53/17/588195317.db2.gz JKIHVMIZPLILKN-AOOOYVTPSA-N 1 2 244.285 1.242 20 0 BDADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)NC1CCCC1 ZINC000844450870 588195319 /nfs/dbraw/zinc/19/53/19/588195319.db2.gz JKIHVMIZPLILKN-AOOOYVTPSA-N 1 2 244.285 1.242 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1C ZINC000844450668 588195453 /nfs/dbraw/zinc/19/54/53/588195453.db2.gz AVNPIVPENZWEMP-AOOOYVTPSA-N 1 2 227.258 1.425 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1C ZINC000844450668 588195454 /nfs/dbraw/zinc/19/54/54/588195454.db2.gz AVNPIVPENZWEMP-AOOOYVTPSA-N 1 2 227.258 1.425 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844456556 588196338 /nfs/dbraw/zinc/19/63/38/588196338.db2.gz ZGVPWCUDZIOUTD-KNVOCYPGSA-N 1 2 229.230 1.329 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844456556 588196339 /nfs/dbraw/zinc/19/63/39/588196339.db2.gz ZGVPWCUDZIOUTD-KNVOCYPGSA-N 1 2 229.230 1.329 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)nc1 ZINC000844458261 588196549 /nfs/dbraw/zinc/19/65/49/588196549.db2.gz NUVXHZSHEUXTCJ-DTORHVGOSA-N 1 2 225.242 1.482 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)nc1 ZINC000844458261 588196551 /nfs/dbraw/zinc/19/65/51/588196551.db2.gz NUVXHZSHEUXTCJ-DTORHVGOSA-N 1 2 225.242 1.482 20 0 BDADLO CN(C[C@H]1CC=CCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867358007 588196985 /nfs/dbraw/zinc/19/69/85/588196985.db2.gz JVIMQFUGXJEFCP-CMPLNLGQSA-N 1 2 249.314 1.258 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000844464255 588197325 /nfs/dbraw/zinc/19/73/25/588197325.db2.gz VSJGJNJZERLDLW-AOOOYVTPSA-N 1 2 242.273 1.556 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000844464255 588197326 /nfs/dbraw/zinc/19/73/26/588197326.db2.gz VSJGJNJZERLDLW-AOOOYVTPSA-N 1 2 242.273 1.556 20 0 BDADLO O=C1CC2(CCCC2)N1C[N@H+]1CC[C@@H](F)C1 ZINC000844708186 588214187 /nfs/dbraw/zinc/21/41/87/588214187.db2.gz KIPZMZZAPSXRTG-SNVBAGLBSA-N 1 2 226.295 1.533 20 0 BDADLO O=C1CC2(CCCC2)N1C[N@@H+]1CC[C@@H](F)C1 ZINC000844708186 588214188 /nfs/dbraw/zinc/21/41/88/588214188.db2.gz KIPZMZZAPSXRTG-SNVBAGLBSA-N 1 2 226.295 1.533 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cn3cccnc3=S)C[C@H]21 ZINC000844752932 588215938 /nfs/dbraw/zinc/21/59/38/588215938.db2.gz DMZQTPBPGXBJGQ-OCAPTIKFSA-N 1 2 243.282 1.767 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cn3cccnc3=S)C[C@H]21 ZINC000844752932 588215939 /nfs/dbraw/zinc/21/59/39/588215939.db2.gz DMZQTPBPGXBJGQ-OCAPTIKFSA-N 1 2 243.282 1.767 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844755154 588216099 /nfs/dbraw/zinc/21/60/99/588216099.db2.gz GUOGAYPIAGCCHS-OCAPTIKFSA-N 1 2 247.676 1.999 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844755154 588216100 /nfs/dbraw/zinc/21/61/00/588216100.db2.gz GUOGAYPIAGCCHS-OCAPTIKFSA-N 1 2 247.676 1.999 20 0 BDADLO O=C(NC1CC=CC1)N[C@H]1CCn2cc[nH+]c21 ZINC000845226341 588224413 /nfs/dbraw/zinc/22/44/13/588224413.db2.gz OWTDUIWKZDUXGD-JTQLQIEISA-N 1 2 232.287 1.346 20 0 BDADLO C[C@@H](CC(=O)OCc1cnn(C)c1)n1cc[nH+]c1 ZINC000845278180 588225166 /nfs/dbraw/zinc/22/51/66/588225166.db2.gz NDNJHRWUVZQSTN-JTQLQIEISA-N 1 2 248.286 1.311 20 0 BDADLO CCOCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280914 588225330 /nfs/dbraw/zinc/22/53/30/588225330.db2.gz KNNVIPJWOFXIHS-SNVBAGLBSA-N 1 2 226.276 1.414 20 0 BDADLO C[C@H](CC(=O)OCc1ccno1)n1cc[nH+]c1 ZINC000845280117 588225415 /nfs/dbraw/zinc/22/54/15/588225415.db2.gz RRJFRADNTMYOTH-SECBINFHSA-N 1 2 235.243 1.566 20 0 BDADLO C[C@@H](CC(=O)OCc1ccncc1)n1cc[nH+]c1 ZINC000845284830 588225719 /nfs/dbraw/zinc/22/57/19/588225719.db2.gz OFGGTZHNPIKISG-NSHDSACASA-N 1 2 245.282 1.973 20 0 BDADLO C[C@H](CC(=O)O[C@H]1CCO[C@H]1C)n1cc[nH+]c1 ZINC000845521551 588231817 /nfs/dbraw/zinc/23/18/17/588231817.db2.gz ZJLVKXOXMMPFLP-VWYCJHECSA-N 1 2 238.287 1.555 20 0 BDADLO CCONC(=O)C[NH2+]C1CCC(F)(F)CC1 ZINC000846078676 588255606 /nfs/dbraw/zinc/25/56/06/588255606.db2.gz BMTMTISPPFZCNT-UHFFFAOYSA-N 1 2 236.262 1.222 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](CC)C1CCCC1 ZINC000846090233 588256156 /nfs/dbraw/zinc/25/61/56/588256156.db2.gz DBUAHJOLFDMUSV-NSHDSACASA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)C1CCCCC1 ZINC000846090491 588256174 /nfs/dbraw/zinc/25/61/74/588256174.db2.gz BKGDIPGMBQEVEP-SNVBAGLBSA-N 1 2 228.336 1.613 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000846815700 588290679 /nfs/dbraw/zinc/29/06/79/588290679.db2.gz RZOBEVJOCKTBLY-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000846815700 588290680 /nfs/dbraw/zinc/29/06/80/588290680.db2.gz RZOBEVJOCKTBLY-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1CN1CCC(c2c[nH]c[nH+]2)CC1 ZINC000846827448 588291069 /nfs/dbraw/zinc/29/10/69/588291069.db2.gz HEKUBDRZKXXXGA-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO C[C@@H](CO)[N@@H+](Cc1cnsn1)CC1CCC1 ZINC000846882803 588295252 /nfs/dbraw/zinc/29/52/52/588295252.db2.gz NAFQACBNSNUDPT-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H](CO)[N@H+](Cc1cnsn1)CC1CCC1 ZINC000846882803 588295253 /nfs/dbraw/zinc/29/52/53/588295253.db2.gz NAFQACBNSNUDPT-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cnsn2)C1 ZINC000846899424 588296305 /nfs/dbraw/zinc/29/63/05/588296305.db2.gz GCJAIGOTERBYKQ-DTORHVGOSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cnsn2)C1 ZINC000846899424 588296306 /nfs/dbraw/zinc/29/63/06/588296306.db2.gz GCJAIGOTERBYKQ-DTORHVGOSA-N 1 2 213.306 1.147 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000846958665 588298525 /nfs/dbraw/zinc/29/85/25/588298525.db2.gz JDZFCBHOEJUPMC-AXFHLTTASA-N 1 2 243.347 1.467 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000846960125 588298702 /nfs/dbraw/zinc/29/87/02/588298702.db2.gz MHFAOAQVYRAYSJ-IVZWLZJFSA-N 1 2 229.320 1.077 20 0 BDADLO c1nsnc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000846962478 588298760 /nfs/dbraw/zinc/29/87/60/588298760.db2.gz ZXCJDZZJMRRDDA-SNVBAGLBSA-N 1 2 241.385 1.866 20 0 BDADLO c1nsnc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000846962478 588298761 /nfs/dbraw/zinc/29/87/61/588298761.db2.gz ZXCJDZZJMRRDDA-SNVBAGLBSA-N 1 2 241.385 1.866 20 0 BDADLO CON1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000846986685 588300436 /nfs/dbraw/zinc/30/04/36/588300436.db2.gz UREUMFMNZPTTRV-UHFFFAOYSA-N 1 2 247.298 1.507 20 0 BDADLO OCCC[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846984659 588300478 /nfs/dbraw/zinc/30/04/78/588300478.db2.gz PXOUAXAJAIYHSS-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OCCC[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846984659 588300479 /nfs/dbraw/zinc/30/04/79/588300479.db2.gz PXOUAXAJAIYHSS-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cnsn1 ZINC000846998579 588301026 /nfs/dbraw/zinc/30/10/26/588301026.db2.gz YGDBCIZSACCIPO-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cnsn1 ZINC000846998579 588301027 /nfs/dbraw/zinc/30/10/27/588301027.db2.gz YGDBCIZSACCIPO-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000847007948 588301218 /nfs/dbraw/zinc/30/12/18/588301218.db2.gz IEPSEUWXMKMBQC-NSHDSACASA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000847007948 588301219 /nfs/dbraw/zinc/30/12/19/588301219.db2.gz IEPSEUWXMKMBQC-NSHDSACASA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)ONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848162972 588362670 /nfs/dbraw/zinc/36/26/70/588362670.db2.gz UWAOCCSVVQOORR-MRVPVSSYSA-N 1 2 211.265 1.045 20 0 BDADLO CC(C)ONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848162972 588362672 /nfs/dbraw/zinc/36/26/72/588362672.db2.gz UWAOCCSVVQOORR-MRVPVSSYSA-N 1 2 211.265 1.045 20 0 BDADLO F[C@@H]1CC[N@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848488571 588386665 /nfs/dbraw/zinc/38/66/65/588386665.db2.gz LXTLDJQZBCIUAL-LLVKDONJSA-N 1 2 247.277 1.341 20 0 BDADLO F[C@@H]1CC[N@@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848488571 588386666 /nfs/dbraw/zinc/38/66/66/588386666.db2.gz LXTLDJQZBCIUAL-LLVKDONJSA-N 1 2 247.277 1.341 20 0 BDADLO Cc1noc(CN(C)c2nc(C)[nH+]c(C)c2C)n1 ZINC000848787159 588413807 /nfs/dbraw/zinc/41/38/07/588413807.db2.gz FXQIFWFKZXCUGF-UHFFFAOYSA-N 1 2 247.302 1.730 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)O[C@@H]3CCOC3)ccn12 ZINC000848783288 588413856 /nfs/dbraw/zinc/41/38/56/588413856.db2.gz ZQNXCSFJBPLEJW-LLVKDONJSA-N 1 2 246.266 1.588 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000848882677 588416350 /nfs/dbraw/zinc/41/63/50/588416350.db2.gz XZKXZGNYNAFIEE-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000848882677 588416351 /nfs/dbraw/zinc/41/63/51/588416351.db2.gz XZKXZGNYNAFIEE-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]([NH2+][C@H]1CCOC1)C(=O)OCc1ccccc1 ZINC000848920386 588420827 /nfs/dbraw/zinc/42/08/27/588420827.db2.gz FSNXAULJCNXMPR-AAEUAGOBSA-N 1 2 249.310 1.497 20 0 BDADLO CCC[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000849168590 588458860 /nfs/dbraw/zinc/45/88/60/588458860.db2.gz VJMZTWJAWKANLQ-LLVKDONJSA-N 1 2 229.320 1.298 20 0 BDADLO CCCNC(=O)CO[NH+]=C(N)c1ccccc1C ZINC000849213448 588461297 /nfs/dbraw/zinc/46/12/97/588461297.db2.gz IBRUVSNMSMNZFQ-UHFFFAOYSA-N 1 2 249.314 1.368 20 0 BDADLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)NC1CC1 ZINC000849212176 588461556 /nfs/dbraw/zinc/46/15/56/588461556.db2.gz DUXUOZGDWHJLCG-VIFPVBQESA-N 1 2 247.298 1.200 20 0 BDADLO S=C(NCC1CC1)N[C@H]1CCn2cc[nH+]c21 ZINC000849264453 588467380 /nfs/dbraw/zinc/46/73/80/588467380.db2.gz MXKKVXWDMVHDBX-VIFPVBQESA-N 1 2 236.344 1.202 20 0 BDADLO CCCN(C)C(=O)NCc1[nH+]ccn1CC ZINC000849395669 588476787 /nfs/dbraw/zinc/47/67/87/588476787.db2.gz INZGCIMZOCKTOY-UHFFFAOYSA-N 1 2 224.308 1.454 20 0 BDADLO CCc1cc(C[NH2+]Cc2cnc(C)n2C)[nH]n1 ZINC000850137969 588521168 /nfs/dbraw/zinc/52/11/68/588521168.db2.gz ZJGOUHXQDZPOFC-UHFFFAOYSA-N 1 2 233.319 1.304 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ncccc1F ZINC000850133617 588521295 /nfs/dbraw/zinc/52/12/95/588521295.db2.gz NZFJIZSJKLYLHW-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO Fc1ncccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000850281656 588534631 /nfs/dbraw/zinc/53/46/31/588534631.db2.gz MHNVRAIQTGPYHU-UHFFFAOYSA-N 1 2 246.289 1.653 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccoc2)c2ncnn21 ZINC000850351799 588537980 /nfs/dbraw/zinc/53/79/80/588537980.db2.gz HXJSMMXVDHMDAM-WCBMZHEXSA-N 1 2 218.260 1.667 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)OCCCn2cc[nH+]c2)C1 ZINC000885575658 588538304 /nfs/dbraw/zinc/53/83/04/588538304.db2.gz FEXWKMRVVRKPMJ-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850372166 588541848 /nfs/dbraw/zinc/54/18/48/588541848.db2.gz QNXRQIJTMGVEMC-QWHCGFSZSA-N 1 2 243.310 1.688 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CC[C@H]2C(C)C)[nH]1 ZINC000850514889 588555773 /nfs/dbraw/zinc/55/57/73/588555773.db2.gz RLDDLYBZTOJGKU-VHSXEESVSA-N 1 2 238.335 1.475 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000850869487 588572033 /nfs/dbraw/zinc/57/20/33/588572033.db2.gz WIYKKNHUABKXGC-KOLCDFICSA-N 1 2 238.287 1.278 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccc(F)n2)C[C@@H](C)O1 ZINC000851713083 588615900 /nfs/dbraw/zinc/61/59/00/588615900.db2.gz XRTYDXBMTBAFRZ-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(F)F)[C@H](C)CO1 ZINC000851715897 588616131 /nfs/dbraw/zinc/61/61/31/588616131.db2.gz FHQUZFLNTVWLHY-HTQZYQBOSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(F)F)[C@H](C)CO1 ZINC000851715897 588616132 /nfs/dbraw/zinc/61/61/32/588616132.db2.gz FHQUZFLNTVWLHY-HTQZYQBOSA-N 1 2 209.236 1.335 20 0 BDADLO CC[C@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851726280 588617951 /nfs/dbraw/zinc/61/79/51/588617951.db2.gz NIHALISGTVALCT-WCQYABFASA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851726280 588617952 /nfs/dbraw/zinc/61/79/52/588617952.db2.gz NIHALISGTVALCT-WCQYABFASA-N 1 2 236.315 1.226 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2COC(C)(C)O2)no1 ZINC000851726454 588617972 /nfs/dbraw/zinc/61/79/72/588617972.db2.gz PISOPHQWFUBPRP-LLVKDONJSA-N 1 2 240.303 1.566 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2COC(C)(C)O2)no1 ZINC000851726454 588617973 /nfs/dbraw/zinc/61/79/73/588617973.db2.gz PISOPHQWFUBPRP-LLVKDONJSA-N 1 2 240.303 1.566 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCOC(F)F ZINC000851777862 588626773 /nfs/dbraw/zinc/62/67/73/588626773.db2.gz AOBZLXBGKSRQJA-VGZKNDNBSA-N 1 2 241.303 1.067 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCOC(F)F ZINC000851777862 588626774 /nfs/dbraw/zinc/62/67/74/588626774.db2.gz AOBZLXBGKSRQJA-VGZKNDNBSA-N 1 2 241.303 1.067 20 0 BDADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnon2)C1(C)C ZINC000851782403 588628049 /nfs/dbraw/zinc/62/80/49/588628049.db2.gz SBIUGFPEWMKGCC-GHMZBOCLSA-N 1 2 239.319 1.705 20 0 BDADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnon2)C1(C)C ZINC000851782403 588628050 /nfs/dbraw/zinc/62/80/50/588628050.db2.gz SBIUGFPEWMKGCC-GHMZBOCLSA-N 1 2 239.319 1.705 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000851806690 588631250 /nfs/dbraw/zinc/63/12/50/588631250.db2.gz VDLZFEBQINOTTA-AWEZNQCLSA-N 1 2 242.326 1.664 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000851806690 588631251 /nfs/dbraw/zinc/63/12/51/588631251.db2.gz VDLZFEBQINOTTA-AWEZNQCLSA-N 1 2 242.326 1.664 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOC(F)F ZINC000851810858 588632414 /nfs/dbraw/zinc/63/24/14/588632414.db2.gz OQMAHTUBOGIAIL-QMMMGPOBSA-N 1 2 239.262 1.498 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOC(F)F ZINC000851810858 588632415 /nfs/dbraw/zinc/63/24/15/588632415.db2.gz OQMAHTUBOGIAIL-QMMMGPOBSA-N 1 2 239.262 1.498 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cnon1 ZINC000851853084 588635450 /nfs/dbraw/zinc/63/54/50/588635450.db2.gz IGVMEPWKOOIPQP-CYBMUJFWSA-N 1 2 245.282 1.161 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnon1 ZINC000851853084 588635451 /nfs/dbraw/zinc/63/54/51/588635451.db2.gz IGVMEPWKOOIPQP-CYBMUJFWSA-N 1 2 245.282 1.161 20 0 BDADLO Fc1cccc(C[N@@H+]2CCOCC23CCC3)n1 ZINC000851861085 588635791 /nfs/dbraw/zinc/63/57/91/588635791.db2.gz GVKPYMIGZAFWDN-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cccc(C[N@H+]2CCOCC23CCC3)n1 ZINC000851861085 588635792 /nfs/dbraw/zinc/63/57/92/588635792.db2.gz GVKPYMIGZAFWDN-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1cccc(F)n1 ZINC000851871720 588637016 /nfs/dbraw/zinc/63/70/16/588637016.db2.gz TXIHEZFPSOCWPK-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)n(C)n1 ZINC000851873703 588637606 /nfs/dbraw/zinc/63/76/06/588637606.db2.gz KBKJZJVXACRYEU-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851875772 588638142 /nfs/dbraw/zinc/63/81/42/588638142.db2.gz YIYXKGIWCBYOKD-LURJTMIESA-N 1 2 221.182 1.454 20 0 BDADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851875772 588638143 /nfs/dbraw/zinc/63/81/43/588638143.db2.gz YIYXKGIWCBYOKD-LURJTMIESA-N 1 2 221.182 1.454 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1Cc1ccsc1 ZINC000851884024 588639792 /nfs/dbraw/zinc/63/97/92/588639792.db2.gz MBRIWXKVLVHQNL-SECBINFHSA-N 1 2 242.369 1.151 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1Cc1ccsc1 ZINC000851884024 588639793 /nfs/dbraw/zinc/63/97/93/588639793.db2.gz MBRIWXKVLVHQNL-SECBINFHSA-N 1 2 242.369 1.151 20 0 BDADLO OCCC[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851901366 588641642 /nfs/dbraw/zinc/64/16/42/588641642.db2.gz CWUOWCUMKSEQIA-CYBMUJFWSA-N 1 2 247.298 1.673 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1cccc(O)c1 ZINC000851899500 588641693 /nfs/dbraw/zinc/64/16/93/588641693.db2.gz YMKUZBDEENSNAR-MRVPVSSYSA-N 1 2 219.244 1.626 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)[C@@]1(CO)CCOC1 ZINC000851917434 588643399 /nfs/dbraw/zinc/64/33/99/588643399.db2.gz DFELLUIYCIDPDP-SECBINFHSA-N 1 2 240.130 1.389 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)[C@@]1(CO)CCOC1 ZINC000851917434 588643400 /nfs/dbraw/zinc/64/34/00/588643400.db2.gz DFELLUIYCIDPDP-SECBINFHSA-N 1 2 240.130 1.389 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1cnon1 ZINC000851920567 588643998 /nfs/dbraw/zinc/64/39/98/588643998.db2.gz BUYHTUVFGPEBPS-SECBINFHSA-N 1 2 232.287 1.878 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cnon2)cn1 ZINC000851930979 588644975 /nfs/dbraw/zinc/64/49/75/588644975.db2.gz IJNUCMHAFHAVRT-SECBINFHSA-N 1 2 235.291 1.698 20 0 BDADLO CC1(C)C[NH+](Cc2cnon2)CC(C)(C)O1 ZINC000851971793 588649489 /nfs/dbraw/zinc/64/94/89/588649489.db2.gz KDNGNBCWJHVDER-UHFFFAOYSA-N 1 2 225.292 1.459 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000851975492 588650680 /nfs/dbraw/zinc/65/06/80/588650680.db2.gz IKSQECGGFMRCSU-KXUCPTDWSA-N 1 2 235.274 1.256 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000851975492 588650681 /nfs/dbraw/zinc/65/06/81/588650681.db2.gz IKSQECGGFMRCSU-KXUCPTDWSA-N 1 2 235.274 1.256 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccc(F)n2)C1 ZINC000851991527 588652908 /nfs/dbraw/zinc/65/29/08/588652908.db2.gz QKJPGIOMLGTSII-UHFFFAOYSA-N 1 2 224.279 1.423 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000851995691 588653434 /nfs/dbraw/zinc/65/34/34/588653434.db2.gz WEMHPMHBBZEEKY-SECBINFHSA-N 1 2 231.246 1.786 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000851995691 588653435 /nfs/dbraw/zinc/65/34/35/588653435.db2.gz WEMHPMHBBZEEKY-SECBINFHSA-N 1 2 231.246 1.786 20 0 BDADLO CC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852021245 588656272 /nfs/dbraw/zinc/65/62/72/588656272.db2.gz YYTQNDBBTORLKI-UHFFFAOYSA-N 1 2 211.692 1.863 20 0 BDADLO c1nonc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000852079017 588660299 /nfs/dbraw/zinc/66/02/99/588660299.db2.gz XTLLUCJMXHRKFL-NSHDSACASA-N 1 2 237.303 1.318 20 0 BDADLO c1nonc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000852079017 588660300 /nfs/dbraw/zinc/66/03/00/588660300.db2.gz XTLLUCJMXHRKFL-NSHDSACASA-N 1 2 237.303 1.318 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000852161593 588668386 /nfs/dbraw/zinc/66/83/86/588668386.db2.gz QWINAYZECBPGAN-LLVKDONJSA-N 1 2 225.292 1.461 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1cnon1 ZINC000852161593 588668387 /nfs/dbraw/zinc/66/83/87/588668387.db2.gz QWINAYZECBPGAN-LLVKDONJSA-N 1 2 225.292 1.461 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000852214628 588672967 /nfs/dbraw/zinc/67/29/67/588672967.db2.gz YGQGEOADEBAQKZ-PRJMDXOYSA-N 1 2 242.273 1.625 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000852214628 588672968 /nfs/dbraw/zinc/67/29/68/588672968.db2.gz YGQGEOADEBAQKZ-PRJMDXOYSA-N 1 2 242.273 1.625 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCC(=O)O2)n1 ZINC000852217839 588673623 /nfs/dbraw/zinc/67/36/23/588673623.db2.gz OMDSMJOXQOQOBG-APPZFPTMSA-N 1 2 239.275 1.076 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCC(=O)O2)n1 ZINC000852217839 588673624 /nfs/dbraw/zinc/67/36/24/588673624.db2.gz OMDSMJOXQOQOBG-APPZFPTMSA-N 1 2 239.275 1.076 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H](O)c1ccccc1F ZINC000852284448 588676005 /nfs/dbraw/zinc/67/60/05/588676005.db2.gz MDNUEBYXBMEUCK-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H](O)c1ccccc1F ZINC000852284448 588676006 /nfs/dbraw/zinc/67/60/06/588676006.db2.gz MDNUEBYXBMEUCK-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)c1ccccc1F ZINC000852284448 588676007 /nfs/dbraw/zinc/67/60/07/588676007.db2.gz MDNUEBYXBMEUCK-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)c1ccccc1F ZINC000852284448 588676008 /nfs/dbraw/zinc/67/60/08/588676008.db2.gz MDNUEBYXBMEUCK-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO CCCCOC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000852286271 588676011 /nfs/dbraw/zinc/67/60/11/588676011.db2.gz BDSDSQKVEPXUFC-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO CCCCOC(=O)[C@@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000852286271 588676012 /nfs/dbraw/zinc/67/60/12/588676012.db2.gz BDSDSQKVEPXUFC-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852288867 588676258 /nfs/dbraw/zinc/67/62/58/588676258.db2.gz UMKWGVXAIRSRCW-LLVKDONJSA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852288867 588676259 /nfs/dbraw/zinc/67/62/59/588676259.db2.gz UMKWGVXAIRSRCW-LLVKDONJSA-N 1 2 249.314 1.327 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852288867 588676260 /nfs/dbraw/zinc/67/62/60/588676260.db2.gz UMKWGVXAIRSRCW-LLVKDONJSA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000852288867 588676261 /nfs/dbraw/zinc/67/62/61/588676261.db2.gz UMKWGVXAIRSRCW-LLVKDONJSA-N 1 2 249.314 1.327 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)n1 ZINC000852322659 588678517 /nfs/dbraw/zinc/67/85/17/588678517.db2.gz OYBJUBUFRAEVQK-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)n1 ZINC000852322659 588678518 /nfs/dbraw/zinc/67/85/18/588678518.db2.gz OYBJUBUFRAEVQK-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC1(C)C ZINC000852338194 588678629 /nfs/dbraw/zinc/67/86/29/588678629.db2.gz NIXGUWKTQFDIBE-JTQLQIEISA-N 1 2 236.319 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC1(C)C ZINC000852338194 588678630 /nfs/dbraw/zinc/67/86/30/588678630.db2.gz NIXGUWKTQFDIBE-JTQLQIEISA-N 1 2 236.319 1.740 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@@H]1C=CCC1 ZINC000852360439 588680036 /nfs/dbraw/zinc/68/00/36/588680036.db2.gz FUAVWDIEAOEXSU-NXEZZACHSA-N 1 2 232.287 1.346 20 0 BDADLO Cc1ccnc(C[N@H+]2CC3(CCC3)OC[C@H]2C)n1 ZINC000852445221 588682488 /nfs/dbraw/zinc/68/24/88/588682488.db2.gz XNPPWJBZEAHUFM-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)n1 ZINC000852445221 588682489 /nfs/dbraw/zinc/68/24/89/588682489.db2.gz XNPPWJBZEAHUFM-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO COCC[N@H+](CCF)Cc1ccno1 ZINC000852482799 588684464 /nfs/dbraw/zinc/68/44/64/588684464.db2.gz ORDTYKDUVKPFCY-UHFFFAOYSA-N 1 2 202.229 1.093 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccno1 ZINC000852482799 588684465 /nfs/dbraw/zinc/68/44/65/588684465.db2.gz ORDTYKDUVKPFCY-UHFFFAOYSA-N 1 2 202.229 1.093 20 0 BDADLO COCC[N@H+](CCF)CC(=O)N[C@H](C)C(C)C ZINC000852484491 588684875 /nfs/dbraw/zinc/68/48/75/588684875.db2.gz FUBHDYSUMNOVKB-LLVKDONJSA-N 1 2 248.342 1.065 20 0 BDADLO COCC[N@@H+](CCF)CC(=O)N[C@H](C)C(C)C ZINC000852484491 588684876 /nfs/dbraw/zinc/68/48/76/588684876.db2.gz FUBHDYSUMNOVKB-LLVKDONJSA-N 1 2 248.342 1.065 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+](CCF)CCOC ZINC000852484217 588684923 /nfs/dbraw/zinc/68/49/23/588684923.db2.gz XYKRCXGYQYCDJP-NSHDSACASA-N 1 2 248.342 1.161 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+](CCF)CCOC ZINC000852484217 588684924 /nfs/dbraw/zinc/68/49/24/588684924.db2.gz XYKRCXGYQYCDJP-NSHDSACASA-N 1 2 248.342 1.161 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+](CCF)CCOC ZINC000852485558 588685098 /nfs/dbraw/zinc/68/50/98/588685098.db2.gz VXURCYSUMUBARL-UHFFFAOYSA-N 1 2 248.342 1.209 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+](CCF)CCOC ZINC000852485558 588685099 /nfs/dbraw/zinc/68/50/99/588685099.db2.gz VXURCYSUMUBARL-UHFFFAOYSA-N 1 2 248.342 1.209 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000852536956 588689243 /nfs/dbraw/zinc/68/92/43/588689243.db2.gz LEUPDNXQGBULGY-GXFFZTMASA-N 1 2 236.315 1.755 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000852536956 588689244 /nfs/dbraw/zinc/68/92/44/588689244.db2.gz LEUPDNXQGBULGY-GXFFZTMASA-N 1 2 236.315 1.755 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852664455 588694622 /nfs/dbraw/zinc/69/46/22/588694622.db2.gz GXFQRJPVMIJNQP-RKDXNWHRSA-N 1 2 225.317 1.006 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852664455 588694623 /nfs/dbraw/zinc/69/46/23/588694623.db2.gz GXFQRJPVMIJNQP-RKDXNWHRSA-N 1 2 225.317 1.006 20 0 BDADLO c1nonc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852680571 588694917 /nfs/dbraw/zinc/69/49/17/588694917.db2.gz CJGWDMXDSCGPOJ-CYBMUJFWSA-N 1 2 245.282 1.723 20 0 BDADLO c1nonc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852680571 588694918 /nfs/dbraw/zinc/69/49/18/588694918.db2.gz CJGWDMXDSCGPOJ-CYBMUJFWSA-N 1 2 245.282 1.723 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC(F)F)s1 ZINC000852745201 588698909 /nfs/dbraw/zinc/69/89/09/588698909.db2.gz QCJQQZCVSXOMBE-UHFFFAOYSA-N 1 2 237.275 1.518 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC(F)F)s1 ZINC000852745201 588698910 /nfs/dbraw/zinc/69/89/10/588698910.db2.gz QCJQQZCVSXOMBE-UHFFFAOYSA-N 1 2 237.275 1.518 20 0 BDADLO C[C@H]1C[N@H+](CCF)C[C@](C)(C(F)F)O1 ZINC000852778832 588702051 /nfs/dbraw/zinc/70/20/51/588702051.db2.gz XACYUPAPQMTPEC-IONNQARKSA-N 1 2 211.227 1.700 20 0 BDADLO C[C@H]1C[N@@H+](CCF)C[C@](C)(C(F)F)O1 ZINC000852778832 588702052 /nfs/dbraw/zinc/70/20/52/588702052.db2.gz XACYUPAPQMTPEC-IONNQARKSA-N 1 2 211.227 1.700 20 0 BDADLO O=C(N1CCC[C@@H]1c1[nH]cc[nH+]1)C12CC(C1)C2 ZINC000860551741 589105822 /nfs/dbraw/zinc/10/58/22/589105822.db2.gz GJYWDCVMRPBTBD-RUETXSTFSA-N 1 2 231.299 1.873 20 0 BDADLO CCO[C@H](C(=O)OCc1c[nH+]cn1C)C(C)C ZINC000860576679 589107229 /nfs/dbraw/zinc/10/72/29/589107229.db2.gz ATCBXQMHWOBNLO-NSHDSACASA-N 1 2 240.303 1.524 20 0 BDADLO CCO[C@@H](C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000860576509 589107343 /nfs/dbraw/zinc/10/73/43/589107343.db2.gz VMRHEGRCJBUBFK-LLVKDONJSA-N 1 2 238.287 1.278 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C23CC(C2)C3)C1 ZINC000860673500 589114017 /nfs/dbraw/zinc/11/40/17/589114017.db2.gz DEAQMPRMNWFQNA-UHFFFAOYSA-N 1 2 239.315 1.050 20 0 BDADLO O=C(OCC[NH+]1CCC1)c1cncs1 ZINC000861391067 589164429 /nfs/dbraw/zinc/16/44/29/589164429.db2.gz PARGXMCGRCADIG-UHFFFAOYSA-N 1 2 212.274 1.006 20 0 BDADLO CC/C(C)=C/C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762794 589176766 /nfs/dbraw/zinc/17/67/66/589176766.db2.gz FYFBAPIXGMYKBD-RMKNXTFCSA-N 1 2 219.288 1.651 20 0 BDADLO CC/C(C)=C/C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762794 589176767 /nfs/dbraw/zinc/17/67/67/589176767.db2.gz FYFBAPIXGMYKBD-RMKNXTFCSA-N 1 2 219.288 1.651 20 0 BDADLO C=C=CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000861795003 589178366 /nfs/dbraw/zinc/17/83/66/589178366.db2.gz JTNGDCKYIMXZRG-LLVKDONJSA-N 1 2 231.299 1.211 20 0 BDADLO Cc1c(C[N@H+]2CCOC[C@@H]2C)ccnc1F ZINC000862226374 589195516 /nfs/dbraw/zinc/19/55/16/589195516.db2.gz BWAQGWZRTFXXIE-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(C[N@@H+]2CCOC[C@@H]2C)ccnc1F ZINC000862226374 589195517 /nfs/dbraw/zinc/19/55/17/589195517.db2.gz BWAQGWZRTFXXIE-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccnc1F ZINC000862247151 589196593 /nfs/dbraw/zinc/19/65/93/589196593.db2.gz XCNWMMZORKAIBK-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccnc1F ZINC000862247151 589196595 /nfs/dbraw/zinc/19/65/95/589196595.db2.gz XCNWMMZORKAIBK-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1c(F)nccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000862245536 589196904 /nfs/dbraw/zinc/19/69/04/589196904.db2.gz RPWWDSNHOPXQSB-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1c(F)nccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000862245536 589196905 /nfs/dbraw/zinc/19/69/05/589196905.db2.gz RPWWDSNHOPXQSB-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cnc(C)o2)C1 ZINC000862252405 589197249 /nfs/dbraw/zinc/19/72/49/589197249.db2.gz SYTNWUSZEKFCTQ-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cnc(C)o2)C1 ZINC000862252405 589197251 /nfs/dbraw/zinc/19/72/51/589197251.db2.gz SYTNWUSZEKFCTQ-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO Cc1c(F)nccc1C[NH2+]Cc1cocn1 ZINC000862279729 589198936 /nfs/dbraw/zinc/19/89/36/589198936.db2.gz BRXJASXYBGSOKH-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccnc(F)c1C ZINC000862351775 589202509 /nfs/dbraw/zinc/20/25/09/589202509.db2.gz ULJUJDYFZGEDRR-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO c1nn2ccccc2c1C[NH+]1CC2(C1)CCCO2 ZINC000862484255 589217053 /nfs/dbraw/zinc/21/70/53/589217053.db2.gz HMWCNDNEUDFYRR-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000862486641 589217465 /nfs/dbraw/zinc/21/74/65/589217465.db2.gz GJRKQFKNAZQHLI-GFCCVEGCSA-N 1 2 249.314 1.460 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)nn1 ZINC000862530680 589218282 /nfs/dbraw/zinc/21/82/82/589218282.db2.gz QIYVKWVXMANKJY-LBPRGKRZSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)nn1 ZINC000862530680 589218284 /nfs/dbraw/zinc/21/82/84/589218284.db2.gz QIYVKWVXMANKJY-LBPRGKRZSA-N 1 2 239.294 1.345 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000119067445 589237413 /nfs/dbraw/zinc/23/74/13/589237413.db2.gz PMPUPKMXITUOIR-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO O=C1CCCN1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000119067445 589237414 /nfs/dbraw/zinc/23/74/14/589237414.db2.gz PMPUPKMXITUOIR-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO CC(C)(C)OC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000119118592 589242948 /nfs/dbraw/zinc/24/29/48/589242948.db2.gz FNSUBQYNGGBOIS-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCOC1 ZINC000119398911 589276678 /nfs/dbraw/zinc/27/66/78/589276678.db2.gz NUCIRJWCJXRPMB-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCOC1 ZINC000119398911 589276679 /nfs/dbraw/zinc/27/66/79/589276679.db2.gz NUCIRJWCJXRPMB-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CC1(C)CC(=O)N(C[NH+](C2CC2)C2CC2)C1=O ZINC000863303207 589277761 /nfs/dbraw/zinc/27/77/61/589277761.db2.gz WBVFBYDMYHIAIH-UHFFFAOYSA-N 1 2 236.315 1.356 20 0 BDADLO CCO[C@H](CO[NH+]=C(N)COC(C)C)C1CC1 ZINC000863455362 589288859 /nfs/dbraw/zinc/28/88/59/589288859.db2.gz FTOHBBUEUYSMOG-LLVKDONJSA-N 1 2 244.335 1.725 20 0 BDADLO COC1CC(O[NH+]=C(N)[C@@H](C)OCC(C)C)C1 ZINC000863457066 589289370 /nfs/dbraw/zinc/28/93/70/589289370.db2.gz DDRZJPMBQCOJLW-KPPDAEKUSA-N 1 2 244.335 1.723 20 0 BDADLO CC(C)(C)OC(=O)NOCc1ccc[nH+]c1N ZINC000863462763 589290260 /nfs/dbraw/zinc/29/02/60/589290260.db2.gz WZRXZEXIJXJHQQ-UHFFFAOYSA-N 1 2 239.275 1.620 20 0 BDADLO C[C@@H]1C[C@H]1CON=C(N)C[NH+]1CCSCC1 ZINC000863467604 589290958 /nfs/dbraw/zinc/29/09/58/589290958.db2.gz CIJKLIRMIHYTAE-ZJUUUORDSA-N 1 2 243.376 1.190 20 0 BDADLO COC1(C(N)=[NH+]OC[C@@H]2CCCO2)CCCC1 ZINC000863478218 589291948 /nfs/dbraw/zinc/29/19/48/589291948.db2.gz KRGLTJCFTDSTEY-JTQLQIEISA-N 1 2 242.319 1.623 20 0 BDADLO COC1(C(N)=[NH+]OCC2(C)COC2)CCCC1 ZINC000863477215 589292080 /nfs/dbraw/zinc/29/20/80/589292080.db2.gz IKQXTMYBGLRXQG-UHFFFAOYSA-N 1 2 242.319 1.481 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccns1 ZINC000863607959 589303560 /nfs/dbraw/zinc/30/35/60/589303560.db2.gz HIEFTERAWFUHQG-MRVPVSSYSA-N 1 2 236.300 1.217 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000863917293 589325939 /nfs/dbraw/zinc/32/59/39/589325939.db2.gz ARNQWBZHAISDHB-GHMZBOCLSA-N 1 2 245.282 1.433 20 0 BDADLO c1nn2cccnc2c1-c1c[nH+]c2n1CCCC2 ZINC000863975115 589330908 /nfs/dbraw/zinc/33/09/08/589330908.db2.gz GPNZLWALZRCHKD-UHFFFAOYSA-N 1 2 239.282 1.929 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC1 ZINC000864607863 589382954 /nfs/dbraw/zinc/38/29/54/589382954.db2.gz FNTCXJJPGONSDC-UHFFFAOYSA-N 1 2 233.246 1.248 20 0 BDADLO CC(C)CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864774285 589393423 /nfs/dbraw/zinc/39/34/23/589393423.db2.gz SZRKUIKAZAJIHU-LLVKDONJSA-N 1 2 237.303 1.090 20 0 BDADLO C[C@@H](c1ccco1)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864810067 589395049 /nfs/dbraw/zinc/39/50/49/589395049.db2.gz ZMUSXMLQHDYHMW-KWQFWETISA-N 1 2 249.270 1.256 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000865141089 589410707 /nfs/dbraw/zinc/41/07/07/589410707.db2.gz OUSJDTBICFGDGG-OPRDCNLKSA-N 1 2 246.301 1.488 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865141089 589410708 /nfs/dbraw/zinc/41/07/08/589410708.db2.gz OUSJDTBICFGDGG-OPRDCNLKSA-N 1 2 246.301 1.488 20 0 BDADLO CCCNC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375106 589428190 /nfs/dbraw/zinc/42/81/90/589428190.db2.gz OTFIJWSMZPQFHB-UHFFFAOYSA-N 1 2 223.320 1.707 20 0 BDADLO Cn1ncnc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375994 589428300 /nfs/dbraw/zinc/42/83/00/589428300.db2.gz UKYJBJSOSQETET-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO CCCCOC(=O)CSCCn1cc[nH+]c1 ZINC000865376741 589428790 /nfs/dbraw/zinc/42/87/90/589428790.db2.gz BQXOZYPGIYRMCJ-UHFFFAOYSA-N 1 2 242.344 1.960 20 0 BDADLO COC[C@@H](C)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865402267 589432800 /nfs/dbraw/zinc/43/28/00/589432800.db2.gz LMPFYHLGKKTBGL-ZCFIWIBFSA-N 1 2 240.694 1.480 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@H](O)c2ccco2)[nH+]c1 ZINC000865439622 589435925 /nfs/dbraw/zinc/43/59/25/589435925.db2.gz YASOMTYCFHJXGG-KOLCDFICSA-N 1 2 248.282 1.873 20 0 BDADLO COCCN(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865457788 589437592 /nfs/dbraw/zinc/43/75/92/589437592.db2.gz RTEUNEGCFVJIFZ-UHFFFAOYSA-N 1 2 240.694 1.646 20 0 BDADLO C[C@H]1CCN(c2nc(N)[nH+]c(C3CCCC3)n2)C1 ZINC000865497958 589441864 /nfs/dbraw/zinc/44/18/64/589441864.db2.gz UNBLZILJMIGAHJ-VIFPVBQESA-N 1 2 247.346 1.958 20 0 BDADLO C[C@H]1CCN(c2nc(N)nc(C3CCCC3)[nH+]2)C1 ZINC000865497958 589441865 /nfs/dbraw/zinc/44/18/65/589441865.db2.gz UNBLZILJMIGAHJ-VIFPVBQESA-N 1 2 247.346 1.958 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cccc(F)n2)nn1 ZINC000865510294 589442291 /nfs/dbraw/zinc/44/22/91/589442291.db2.gz ZNWMHDIIMXAJEF-UHFFFAOYSA-N 1 2 249.293 1.512 20 0 BDADLO CCn1ncc(CNCc2cn(C3CC3)c[nH+]2)n1 ZINC000865639302 589453450 /nfs/dbraw/zinc/45/34/50/589453450.db2.gz QVIAUKUGZITELG-UHFFFAOYSA-N 1 2 246.318 1.119 20 0 BDADLO Cc1cc(CNc2ccc([C@@H](C)O)c[nH+]2)ncn1 ZINC000865642532 589454312 /nfs/dbraw/zinc/45/43/12/589454312.db2.gz IYVMDNMBHJIQJV-SNVBAGLBSA-N 1 2 244.298 1.845 20 0 BDADLO CC[C@@]1(O)CCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865690680 589456020 /nfs/dbraw/zinc/45/60/20/589456020.db2.gz LIDXVEHNEJNCOC-GXFFZTMASA-N 1 2 236.315 1.486 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccnc(F)c2)nn1 ZINC000865720668 589458383 /nfs/dbraw/zinc/45/83/83/589458383.db2.gz FTMBUPBMRBGOBY-UHFFFAOYSA-N 1 2 249.293 1.512 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccnc(F)c2)[nH]c1C ZINC000865722340 589458445 /nfs/dbraw/zinc/45/84/45/589458445.db2.gz HHUXLJUGFICXSK-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO Cc1[nH]c(CNCc2ccnc(F)c2)[nH+]c1C ZINC000865722340 589458446 /nfs/dbraw/zinc/45/84/46/589458446.db2.gz HHUXLJUGFICXSK-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO C[C@H]1CCCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865883966 589467346 /nfs/dbraw/zinc/46/73/46/589467346.db2.gz NTCRPVJHFRHBBC-ONGXEEELSA-N 1 2 237.303 1.234 20 0 BDADLO CCCNc1cc(N[C@H](CO)CCF)nc[nH+]1 ZINC000865910785 589468225 /nfs/dbraw/zinc/46/82/25/589468225.db2.gz IIRYICYDTXHOHF-VIFPVBQESA-N 1 2 242.298 1.431 20 0 BDADLO CCCNc1cc(N[C@H](CO)CCF)[nH+]cn1 ZINC000865910785 589468226 /nfs/dbraw/zinc/46/82/26/589468226.db2.gz IIRYICYDTXHOHF-VIFPVBQESA-N 1 2 242.298 1.431 20 0 BDADLO CCn1ncc(CNc2ccc([C@@H](C)O)c[nH+]2)n1 ZINC000865963856 589470461 /nfs/dbraw/zinc/47/04/61/589470461.db2.gz CMDWQXCHQDBVSO-SECBINFHSA-N 1 2 247.302 1.358 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)c2cocn2)c1 ZINC000120870094 589473183 /nfs/dbraw/zinc/47/31/83/589473183.db2.gz VTYCIXFYKCIDQM-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO CO[C@@H]1CC[C@H](C)N(c2cc[nH+]c(C)n2)C1 ZINC000866070677 589474988 /nfs/dbraw/zinc/47/49/88/589474988.db2.gz KNISPXSLHZSVIJ-GXSJLCMTSA-N 1 2 221.304 1.789 20 0 BDADLO COC(=O)C1CC(Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000866170089 589478818 /nfs/dbraw/zinc/47/88/18/589478818.db2.gz HRAHPRUCTUTMIS-UHFFFAOYSA-N 1 2 249.314 1.964 20 0 BDADLO COC(=O)C1CC(Nc2cc[nH+]c(C)n2)C1 ZINC000866169982 589478869 /nfs/dbraw/zinc/47/88/69/589478869.db2.gz ALWFSHXZSDBBHH-UHFFFAOYSA-N 1 2 221.260 1.149 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccnn1C ZINC000866613224 589504829 /nfs/dbraw/zinc/50/48/29/589504829.db2.gz GLWYWVFFHDLPOO-ONGXEEELSA-N 1 2 245.330 1.871 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccn(C)n1 ZINC000866613644 589505229 /nfs/dbraw/zinc/50/52/29/589505229.db2.gz ISSIXEUEOSOINQ-ZJUUUORDSA-N 1 2 233.319 1.565 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ncc[nH]1 ZINC000866634903 589506244 /nfs/dbraw/zinc/50/62/44/589506244.db2.gz VJHRDKCBYOOMNA-ZJUUUORDSA-N 1 2 231.303 1.792 20 0 BDADLO CC[C@H](NC(=O)/C=C\COC)c1[nH]cc[nH+]1 ZINC000867457377 589520567 /nfs/dbraw/zinc/52/05/67/589520567.db2.gz GKNGQHOGFDVUIF-WBSSQXGSSA-N 1 2 223.276 1.180 20 0 BDADLO CC[C@H](NC(=O)C=CCOC)c1[nH]cc[nH+]1 ZINC000867457377 589520568 /nfs/dbraw/zinc/52/05/68/589520568.db2.gz GKNGQHOGFDVUIF-WBSSQXGSSA-N 1 2 223.276 1.180 20 0 BDADLO COC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867758775 589533499 /nfs/dbraw/zinc/53/34/99/589533499.db2.gz UINZIUHHGFYTAT-NSHDSACASA-N 1 2 247.298 1.632 20 0 BDADLO C[C@H]1CC2(CCC2)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867818525 589535107 /nfs/dbraw/zinc/53/51/07/589535107.db2.gz MERYWSLLHWMRKJ-ONGXEEELSA-N 1 2 249.314 1.234 20 0 BDADLO C[C@@H]1CC2(CCC2)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867818523 589535270 /nfs/dbraw/zinc/53/52/70/589535270.db2.gz MERYWSLLHWMRKJ-KOLCDFICSA-N 1 2 249.314 1.234 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H](C2CC2)C1 ZINC000868394241 589556790 /nfs/dbraw/zinc/55/67/90/589556790.db2.gz XJZQLCMVDZORHY-JQWIXIFHSA-N 1 2 249.314 1.092 20 0 BDADLO Cc1ccoc1CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868530382 589562723 /nfs/dbraw/zinc/56/27/23/589562723.db2.gz IJJZSPCHIZEVMI-NSHDSACASA-N 1 2 249.270 1.003 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868620959 589568357 /nfs/dbraw/zinc/56/83/57/589568357.db2.gz MYTRNANNDUNWNY-CHDHTGKKSA-N 1 2 223.251 1.708 20 0 BDADLO CO[C@@H](C)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000122464878 589591892 /nfs/dbraw/zinc/59/18/92/589591892.db2.gz BOEHGMCIVUYROZ-UWVGGRQHSA-N 1 2 247.360 1.002 20 0 BDADLO COc1cncc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000869756512 589627805 /nfs/dbraw/zinc/62/78/05/589627805.db2.gz MVPSEIGTFFHMOI-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1cncc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000869756512 589627806 /nfs/dbraw/zinc/62/78/06/589627806.db2.gz MVPSEIGTFFHMOI-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@H]1F ZINC000870488406 589668346 /nfs/dbraw/zinc/66/83/46/589668346.db2.gz OWMONSXONFJLJQ-ZJUUUORDSA-N 1 2 225.267 1.280 20 0 BDADLO CC(=O)CSCc1[nH+]ccn1CC(F)F ZINC000871654625 589782736 /nfs/dbraw/zinc/78/27/36/589782736.db2.gz BJLGFHQUSRVDJW-UHFFFAOYSA-N 1 2 234.271 1.970 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)C(=O)CNc1cccc[nH+]1 ZINC000889324186 589800459 /nfs/dbraw/zinc/80/04/59/589800459.db2.gz GPJGFKCOADUPBW-QWRGUYRKSA-N 1 2 249.314 1.129 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1coc(C2CC2)n1 ZINC000871735499 589800857 /nfs/dbraw/zinc/80/08/57/589800857.db2.gz RXCQQMLUPRVEOD-ZETCQYMHSA-N 1 2 239.275 1.585 20 0 BDADLO Cc1conc1CO[NH+]=C(N)Cc1cccnc1 ZINC000871738119 589801809 /nfs/dbraw/zinc/80/18/09/589801809.db2.gz YKQHHTYCPQJOCJ-UHFFFAOYSA-N 1 2 246.270 1.619 20 0 BDADLO NC(CCO)=[NH+]OCc1scnc1Cl ZINC000871742217 589803003 /nfs/dbraw/zinc/80/30/03/589803003.db2.gz KVKAHHDIMVBSNN-UHFFFAOYSA-N 1 2 235.696 1.177 20 0 BDADLO CC1(C)C[C@H](O[NH+]=C(N)COC2CCC2)CO1 ZINC000871778330 589814119 /nfs/dbraw/zinc/81/41/19/589814119.db2.gz CZPYADBCVVZLKD-JTQLQIEISA-N 1 2 242.319 1.621 20 0 BDADLO Cc1ccc([C@H](O)C[NH+]2CC3(C2)CCCO3)cc1 ZINC000871985739 589853449 /nfs/dbraw/zinc/85/34/49/589853449.db2.gz ZRJAZLBSDDSYQH-CQSZACIVSA-N 1 2 247.338 1.893 20 0 BDADLO Cc1nonc1CN[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000872138063 589879824 /nfs/dbraw/zinc/87/98/24/589879824.db2.gz ZABGPQTXGAIHSZ-VXNVDRBHSA-N 1 2 233.275 1.370 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cncnc2)CCO1 ZINC000872254963 589901316 /nfs/dbraw/zinc/90/13/16/589901316.db2.gz HCSINOJDRSYMIH-SNVBAGLBSA-N 1 2 243.257 1.333 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cncnc2)CCO1 ZINC000872254963 589901317 /nfs/dbraw/zinc/90/13/17/589901317.db2.gz HCSINOJDRSYMIH-SNVBAGLBSA-N 1 2 243.257 1.333 20 0 BDADLO CC(C)CC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872294810 589907256 /nfs/dbraw/zinc/90/72/56/589907256.db2.gz BRCBPUMVZMSZTQ-UHFFFAOYSA-N 1 2 247.342 1.906 20 0 BDADLO C/C=C(/C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872306581 589908330 /nfs/dbraw/zinc/90/83/30/589908330.db2.gz PJEQFEHQDTYLJI-WCIBSUBMSA-N 1 2 245.326 1.826 20 0 BDADLO CCCCOC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312932 589909224 /nfs/dbraw/zinc/90/92/24/589909224.db2.gz BOEVWBQEAIZSRN-YPMHNXCESA-N 1 2 241.331 1.631 20 0 BDADLO Cc1nonc1CNc1[nH+]c2ccccc2n1C ZINC000872777841 589968856 /nfs/dbraw/zinc/96/88/56/589968856.db2.gz RBAVEXATUCQSAD-UHFFFAOYSA-N 1 2 243.270 1.877 20 0 BDADLO Cc1nonc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000872777550 589969234 /nfs/dbraw/zinc/96/92/34/589969234.db2.gz GUOWWDZWKGCORF-UHFFFAOYSA-N 1 2 246.274 1.354 20 0 BDADLO Cc1nonc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000872777550 589969235 /nfs/dbraw/zinc/96/92/35/589969235.db2.gz GUOWWDZWKGCORF-UHFFFAOYSA-N 1 2 246.274 1.354 20 0 BDADLO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ccon1 ZINC000873127480 589985529 /nfs/dbraw/zinc/98/55/29/589985529.db2.gz OLOWCOOZTUSIFL-YPMHNXCESA-N 1 2 246.266 1.259 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]Cc2ccon2)c2ccccc21 ZINC000873136419 589986282 /nfs/dbraw/zinc/98/62/82/589986282.db2.gz ASFLKJWWCJHTGK-CHWSQXEVSA-N 1 2 230.267 1.943 20 0 BDADLO CCn1ncc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000873196561 589991338 /nfs/dbraw/zinc/99/13/38/589991338.db2.gz PDXXDLKMLROBJX-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)[C@H](C)[C@@H](C)O1 ZINC000873207362 589994426 /nfs/dbraw/zinc/99/44/26/589994426.db2.gz AIYQARWZHMTALK-OPRDCNLKSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)[C@H](C)[C@@H](C)O1 ZINC000873207362 589994428 /nfs/dbraw/zinc/99/44/28/589994428.db2.gz AIYQARWZHMTALK-OPRDCNLKSA-N 1 2 236.319 1.057 20 0 BDADLO Nc1cnc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000873214054 589997147 /nfs/dbraw/zinc/99/71/47/589997147.db2.gz VZWXQCHHRPUIJQ-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO Nc1cnc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000873214054 589997149 /nfs/dbraw/zinc/99/71/49/589997149.db2.gz VZWXQCHHRPUIJQ-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CCC2 ZINC000873264898 590014988 /nfs/dbraw/zinc/01/49/88/590014988.db2.gz IXSGMDVDHSEMGA-SNVBAGLBSA-N 1 2 234.303 1.494 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CCC2 ZINC000873264898 590014991 /nfs/dbraw/zinc/01/49/91/590014991.db2.gz IXSGMDVDHSEMGA-SNVBAGLBSA-N 1 2 234.303 1.494 20 0 BDADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)=O ZINC000873359292 590029558 /nfs/dbraw/zinc/02/95/58/590029558.db2.gz BPEMQQBHNLBLCW-RYUDHWBXSA-N 1 2 241.331 1.772 20 0 BDADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)=O ZINC000873359292 590029560 /nfs/dbraw/zinc/02/95/60/590029560.db2.gz BPEMQQBHNLBLCW-RYUDHWBXSA-N 1 2 241.331 1.772 20 0 BDADLO CC[C@H](OC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)=O ZINC000873391831 590036984 /nfs/dbraw/zinc/03/69/84/590036984.db2.gz RVMWQEJRVIDWJO-WDEREUQCSA-N 1 2 229.320 1.483 20 0 BDADLO CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(C)=O ZINC000873403044 590038968 /nfs/dbraw/zinc/03/89/68/590038968.db2.gz BMHCHLYWDOQMLG-ONGXEEELSA-N 1 2 238.287 1.745 20 0 BDADLO CCC[C@@H](CC)C(=O)OCC[NH+]1CCOCC1 ZINC000873421756 590042468 /nfs/dbraw/zinc/04/24/68/590042468.db2.gz SWTCRGFPNCXXHL-GFCCVEGCSA-N 1 2 243.347 1.688 20 0 BDADLO CCn1ccc(C(=O)OCc2c[nH+]cn2C)c1C ZINC000873508525 590051716 /nfs/dbraw/zinc/05/17/16/590051716.db2.gz OTBDQZNWMLGPCU-UHFFFAOYSA-N 1 2 247.298 1.907 20 0 BDADLO C[C@H](NCc1cscn1)c1[nH]cc[nH+]1 ZINC000124764907 590084943 /nfs/dbraw/zinc/08/49/43/590084943.db2.gz SVUXYPIXHATJRR-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO Cn1ccsc1=NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874263179 590101057 /nfs/dbraw/zinc/10/10/57/590101057.db2.gz VWTXXQAJOASHGL-HTQZYQBOSA-N 1 2 248.311 1.041 20 0 BDADLO Cn1ccsc1=NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874263179 590101059 /nfs/dbraw/zinc/10/10/59/590101059.db2.gz VWTXXQAJOASHGL-HTQZYQBOSA-N 1 2 248.311 1.041 20 0 BDADLO C[C@@H](O)c1ccc(N2CC[C@@H](C)C2)[nH+]c1 ZINC000124923369 590102303 /nfs/dbraw/zinc/10/23/03/590102303.db2.gz QGJRFKIIXIIBMB-NXEZZACHSA-N 1 2 206.289 1.981 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874703968 590124258 /nfs/dbraw/zinc/12/42/58/590124258.db2.gz DYRSDNAHGQMZEE-CSXHZRMWSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874703968 590124259 /nfs/dbraw/zinc/12/42/59/590124259.db2.gz DYRSDNAHGQMZEE-CSXHZRMWSA-N 1 2 240.347 1.180 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC23CCC3)[nH+]1 ZINC000874771942 590128083 /nfs/dbraw/zinc/12/80/83/590128083.db2.gz IMTSTDDUISLWDP-JTQLQIEISA-N 1 2 233.315 1.573 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC12CCC2 ZINC000874781002 590131868 /nfs/dbraw/zinc/13/18/68/590131868.db2.gz ULLRCDXELXAHMH-VIFPVBQESA-N 1 2 219.288 1.401 20 0 BDADLO O=C(NCCC1CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875369505 590163156 /nfs/dbraw/zinc/16/31/56/590163156.db2.gz XEBBVUGUTDPWOZ-NSHDSACASA-N 1 2 248.330 1.297 20 0 BDADLO Cc1nocc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000888724717 590196695 /nfs/dbraw/zinc/19/66/95/590196695.db2.gz NLDZGJMVKASNJE-UHFFFAOYSA-N 1 2 249.274 1.081 20 0 BDADLO Cc1nocc1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000888726417 590197546 /nfs/dbraw/zinc/19/75/46/590197546.db2.gz DBXPPRRSPKDEHC-QMMMGPOBSA-N 1 2 247.258 1.446 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]CCS(C)(=O)=O)s1 ZINC000126101553 590230705 /nfs/dbraw/zinc/23/07/05/590230705.db2.gz RVIYFWRNQBZTMP-MRVPVSSYSA-N 1 2 248.373 1.147 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(Cl)nn2)[nH]n1 ZINC000877058509 590276111 /nfs/dbraw/zinc/27/61/11/590276111.db2.gz ZCFJGKHPMGRPAC-UHFFFAOYSA-N 1 2 237.694 1.451 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(Cl)nn2)on1 ZINC000877149373 590292658 /nfs/dbraw/zinc/29/26/58/590292658.db2.gz AEEFDNZOLOIBKI-UHFFFAOYSA-N 1 2 238.678 1.716 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)C(=O)OCC(C)C)C1CC1 ZINC000877469156 590334353 /nfs/dbraw/zinc/33/43/53/590334353.db2.gz LDIZELQMPMYRPI-CMPLNLGQSA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000877492183 590339877 /nfs/dbraw/zinc/33/98/77/590339877.db2.gz GLGFHGQOPWPQJG-GHMZBOCLSA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000877492184 590340120 /nfs/dbraw/zinc/34/01/20/590340120.db2.gz GLGFHGQOPWPQJG-WDEREUQCSA-N 1 2 236.315 1.554 20 0 BDADLO O=S1(=O)CCC(C[N@H+]2CCC[C@H](F)C2)CC1 ZINC000877617634 590374635 /nfs/dbraw/zinc/37/46/35/590374635.db2.gz YLAGSESWNHQHBB-NSHDSACASA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CCC(C[N@@H+]2CCC[C@H](F)C2)CC1 ZINC000877617634 590374637 /nfs/dbraw/zinc/37/46/37/590374637.db2.gz YLAGSESWNHQHBB-NSHDSACASA-N 1 2 249.351 1.245 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cccc(F)c2N)n1 ZINC000877647157 590384387 /nfs/dbraw/zinc/38/43/87/590384387.db2.gz AQYJKGDIXKJADQ-UHFFFAOYSA-N 1 2 249.293 1.309 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877715203 590398719 /nfs/dbraw/zinc/39/87/19/590398719.db2.gz BBQKAIVQZZQJSH-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(C)(C)C2)n1 ZINC000877717630 590399877 /nfs/dbraw/zinc/39/98/77/590399877.db2.gz MZNPWXKGTZFFHK-UHFFFAOYSA-N 1 2 208.309 1.448 20 0 BDADLO CCn1c[nH+]cc1CN1CC(OC(C)(C)C)C1 ZINC000877769623 590421094 /nfs/dbraw/zinc/42/10/94/590421094.db2.gz GIJGHAWJPLUPDA-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO Cn1cc(C[NH+]2CC(OC(C)(C)C)C2)cn1 ZINC000877771836 590422300 /nfs/dbraw/zinc/42/23/00/590422300.db2.gz DPKVLKQGNIGCTB-UHFFFAOYSA-N 1 2 223.320 1.419 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2nocc2C)C1 ZINC000877970381 590462179 /nfs/dbraw/zinc/46/21/79/590462179.db2.gz MPNOZXNWEJDRSB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nocc2C)C1 ZINC000877970381 590462181 /nfs/dbraw/zinc/46/21/81/590462181.db2.gz MPNOZXNWEJDRSB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1nocc1NC(=O)NCCCn1cc[nH+]c1 ZINC000888752979 590474946 /nfs/dbraw/zinc/47/49/46/590474946.db2.gz LEXZLAHLTZOKMH-UHFFFAOYSA-N 1 2 249.274 1.391 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000878044242 590479373 /nfs/dbraw/zinc/47/93/73/590479373.db2.gz JLJHYCVGBKRXAZ-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000878045075 590480410 /nfs/dbraw/zinc/48/04/10/590480410.db2.gz VAHQZPCODNIHQL-JTQLQIEISA-N 1 2 243.347 1.875 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC2(CCC2)CO1 ZINC000878046805 590480508 /nfs/dbraw/zinc/48/05/08/590480508.db2.gz KDSXEFGYAAZOQD-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CC2(CCC2)CO1 ZINC000878046805 590480509 /nfs/dbraw/zinc/48/05/09/590480509.db2.gz KDSXEFGYAAZOQD-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1C[C@@H](OC)C1 ZINC000878051471 590482734 /nfs/dbraw/zinc/48/27/34/590482734.db2.gz IQZYUWCDEKLIJZ-AOOOYVTPSA-N 1 2 237.290 1.625 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1C[C@@H](OC)C1 ZINC000878051471 590482739 /nfs/dbraw/zinc/48/27/39/590482739.db2.gz IQZYUWCDEKLIJZ-AOOOYVTPSA-N 1 2 237.290 1.625 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000878052996 590483183 /nfs/dbraw/zinc/48/31/83/590483183.db2.gz UCZWHYPWDMTNQN-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1conc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000878052996 590483185 /nfs/dbraw/zinc/48/31/85/590483185.db2.gz UCZWHYPWDMTNQN-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878097601 590492466 /nfs/dbraw/zinc/49/24/66/590492466.db2.gz IWRKEHSRDCPDOX-WXHSDQCUSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878097601 590492467 /nfs/dbraw/zinc/49/24/67/590492467.db2.gz IWRKEHSRDCPDOX-WXHSDQCUSA-N 1 2 235.331 1.799 20 0 BDADLO OCC1(C[C@H](O)Cn2cc[nH+]c2)CCCC1 ZINC000878207669 590523905 /nfs/dbraw/zinc/52/39/05/590523905.db2.gz NSZNAOZFEXZIGS-NSHDSACASA-N 1 2 224.304 1.187 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878315221 590541650 /nfs/dbraw/zinc/54/16/50/590541650.db2.gz JKULQBDGGWGHIN-GRYCIOLGSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878315221 590541651 /nfs/dbraw/zinc/54/16/51/590541651.db2.gz JKULQBDGGWGHIN-GRYCIOLGSA-N 1 2 235.331 1.799 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000878315041 590542241 /nfs/dbraw/zinc/54/22/41/590542241.db2.gz DPBLRXJGYYPHBJ-SNVBAGLBSA-N 1 2 211.309 1.249 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000878315041 590542244 /nfs/dbraw/zinc/54/22/44/590542244.db2.gz DPBLRXJGYYPHBJ-SNVBAGLBSA-N 1 2 211.309 1.249 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878315223 590542373 /nfs/dbraw/zinc/54/23/73/590542373.db2.gz JKULQBDGGWGHIN-SRVKXCTJSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878315223 590542374 /nfs/dbraw/zinc/54/23/74/590542374.db2.gz JKULQBDGGWGHIN-SRVKXCTJSA-N 1 2 235.331 1.799 20 0 BDADLO COCC1([N@H+](C)Cc2nocc2C)CC1 ZINC000878318732 590544493 /nfs/dbraw/zinc/54/44/93/590544493.db2.gz WZDPCCLFSXKMQP-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COCC1([N@@H+](C)Cc2nocc2C)CC1 ZINC000878318732 590544496 /nfs/dbraw/zinc/54/44/96/590544496.db2.gz WZDPCCLFSXKMQP-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000878406381 590561261 /nfs/dbraw/zinc/56/12/61/590561261.db2.gz TWKDVEYVGYNAEL-BJOHPYRUSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1conc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000878406381 590561263 /nfs/dbraw/zinc/56/12/63/590561263.db2.gz TWKDVEYVGYNAEL-BJOHPYRUSA-N 1 2 230.333 1.182 20 0 BDADLO C[N@H+](Cc1scnc1Cl)C1CC(O)C1 ZINC000878430353 590565776 /nfs/dbraw/zinc/56/57/76/590565776.db2.gz DEQVGGPPEUIDLY-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO C[N@@H+](Cc1scnc1Cl)C1CC(O)C1 ZINC000878430353 590565777 /nfs/dbraw/zinc/56/57/77/590565777.db2.gz DEQVGGPPEUIDLY-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000878504257 590581574 /nfs/dbraw/zinc/58/15/74/590581574.db2.gz YHDBQLCQPKEIEV-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000878504257 590581579 /nfs/dbraw/zinc/58/15/79/590581579.db2.gz YHDBQLCQPKEIEV-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO C[N@H+](CC(=O)N=S(C)(C)=O)C1(C)CCCC1 ZINC000878527033 590586927 /nfs/dbraw/zinc/58/69/27/590586927.db2.gz VJYYZJVCXNACAS-UHFFFAOYSA-N 1 2 246.376 1.505 20 0 BDADLO C[N@@H+](CC(=O)N=S(C)(C)=O)C1(C)CCCC1 ZINC000878527033 590586928 /nfs/dbraw/zinc/58/69/28/590586928.db2.gz VJYYZJVCXNACAS-UHFFFAOYSA-N 1 2 246.376 1.505 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000878538282 590588682 /nfs/dbraw/zinc/58/86/82/590588682.db2.gz YGGMIDAPYMAWSD-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000878538282 590588684 /nfs/dbraw/zinc/58/86/84/590588684.db2.gz YGGMIDAPYMAWSD-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878536976 590588818 /nfs/dbraw/zinc/58/88/18/590588818.db2.gz GEMXUNQPOOSSPL-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878536976 590588820 /nfs/dbraw/zinc/58/88/20/590588820.db2.gz GEMXUNQPOOSSPL-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCC1CC1 ZINC000878541113 590589335 /nfs/dbraw/zinc/58/93/35/590589335.db2.gz LDMRVDOEOXATMP-QWRGUYRKSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCC1CC1 ZINC000878541113 590589336 /nfs/dbraw/zinc/58/93/36/590589336.db2.gz LDMRVDOEOXATMP-QWRGUYRKSA-N 1 2 229.295 1.762 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nccn1CC(F)F ZINC000878613198 590596741 /nfs/dbraw/zinc/59/67/41/590596741.db2.gz IANXXNXMQZVIQO-VIFPVBQESA-N 1 2 247.289 1.615 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nccn1CC(F)F ZINC000878613198 590596742 /nfs/dbraw/zinc/59/67/42/590596742.db2.gz IANXXNXMQZVIQO-VIFPVBQESA-N 1 2 247.289 1.615 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CC2(CCC2)C1 ZINC000878700109 590612074 /nfs/dbraw/zinc/61/20/74/590612074.db2.gz NAVDPDXGAHUXSW-GFCCVEGCSA-N 1 2 241.331 1.080 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](C)C(C)(C)C ZINC000878700884 590612113 /nfs/dbraw/zinc/61/21/13/590612113.db2.gz VUVWIJFQMVWEIB-JOYOIKCWSA-N 1 2 231.336 1.182 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000878705923 590613165 /nfs/dbraw/zinc/61/31/65/590613165.db2.gz MOYYSIAKBVDEGJ-WDEREUQCSA-N 1 2 238.287 1.055 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C(C)(C)C ZINC000878725962 590616493 /nfs/dbraw/zinc/61/64/93/590616493.db2.gz CTTIHOUZRCXXGL-QMMMGPOBSA-N 1 2 227.308 1.889 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C(C)(C)C ZINC000878725962 590616496 /nfs/dbraw/zinc/61/64/96/590616496.db2.gz CTTIHOUZRCXXGL-QMMMGPOBSA-N 1 2 227.308 1.889 20 0 BDADLO C[N@H+](CCCC1CC1)Cc1n[nH]c(=O)o1 ZINC000878726839 590617359 /nfs/dbraw/zinc/61/73/59/590617359.db2.gz WPJFZYQQWHYPQH-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO C[N@@H+](CCCC1CC1)Cc1n[nH]c(=O)o1 ZINC000878726839 590617361 /nfs/dbraw/zinc/61/73/61/590617361.db2.gz WPJFZYQQWHYPQH-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO CCN1CC[C@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878790192 590622450 /nfs/dbraw/zinc/62/24/50/590622450.db2.gz DXWDTAMGUCEOMU-JTQLQIEISA-N 1 2 228.723 1.436 20 0 BDADLO CCN1CC[C@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878790192 590622451 /nfs/dbraw/zinc/62/24/51/590622451.db2.gz DXWDTAMGUCEOMU-JTQLQIEISA-N 1 2 228.723 1.436 20 0 BDADLO ClC1=CCC[N@H+](CC2OCCO2)C1 ZINC000878791126 590623878 /nfs/dbraw/zinc/62/38/78/590623878.db2.gz GKSPXDAKNGAJNC-UHFFFAOYSA-N 1 2 203.669 1.188 20 0 BDADLO ClC1=CCC[N@@H+](CC2OCCO2)C1 ZINC000878791126 590623879 /nfs/dbraw/zinc/62/38/79/590623879.db2.gz GKSPXDAKNGAJNC-UHFFFAOYSA-N 1 2 203.669 1.188 20 0 BDADLO Cn1cc(C[N@@H+]2CCC=C(Cl)C2)cn1 ZINC000878791956 590623908 /nfs/dbraw/zinc/62/39/08/590623908.db2.gz HBZIXGIVZLWYKT-UHFFFAOYSA-N 1 2 211.696 1.749 20 0 BDADLO Cn1cc(C[N@H+]2CCC=C(Cl)C2)cn1 ZINC000878791956 590623909 /nfs/dbraw/zinc/62/39/09/590623909.db2.gz HBZIXGIVZLWYKT-UHFFFAOYSA-N 1 2 211.696 1.749 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878794078 590624467 /nfs/dbraw/zinc/62/44/67/590624467.db2.gz ZNYOUOIBBMONFW-SNVBAGLBSA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878794078 590624468 /nfs/dbraw/zinc/62/44/68/590624468.db2.gz ZNYOUOIBBMONFW-SNVBAGLBSA-N 1 2 244.766 1.976 20 0 BDADLO C[N@@H+]1CCN(CC[S@@](C)=O)C[C@H]1C(C)(C)C ZINC000878841135 590630239 /nfs/dbraw/zinc/63/02/39/590630239.db2.gz UFZVSQJWANSZHA-MEDUHNTESA-N 1 2 246.420 1.027 20 0 BDADLO C[N@H+]1CCN(CC[S@@](C)=O)C[C@H]1C(C)(C)C ZINC000878841135 590630241 /nfs/dbraw/zinc/63/02/41/590630241.db2.gz UFZVSQJWANSZHA-MEDUHNTESA-N 1 2 246.420 1.027 20 0 BDADLO c1n[nH]cc1[C@H]1CCC[N@H+]1Cc1cnon1 ZINC000878876731 590637581 /nfs/dbraw/zinc/63/75/81/590637581.db2.gz RYLVZORNMNJLPJ-SNVBAGLBSA-N 1 2 219.248 1.130 20 0 BDADLO c1n[nH]cc1[C@H]1CCC[N@@H+]1Cc1cnon1 ZINC000878876731 590637583 /nfs/dbraw/zinc/63/75/83/590637583.db2.gz RYLVZORNMNJLPJ-SNVBAGLBSA-N 1 2 219.248 1.130 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc2c(o1)CCCC2 ZINC000878885148 590639076 /nfs/dbraw/zinc/63/90/76/590639076.db2.gz XNKGXZNWDOTBLP-UHFFFAOYSA-N 1 2 246.314 1.909 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc2c(o1)CCCC2 ZINC000878885148 590639081 /nfs/dbraw/zinc/63/90/81/590639081.db2.gz XNKGXZNWDOTBLP-UHFFFAOYSA-N 1 2 246.314 1.909 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC[C@H](O)C(C)C ZINC000878952020 590661033 /nfs/dbraw/zinc/66/10/33/590661033.db2.gz RZZZJMDXMVZGFO-CMPLNLGQSA-N 1 2 249.326 1.274 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000878969554 590664111 /nfs/dbraw/zinc/66/41/11/590664111.db2.gz WLCLJXZOWKPNNK-NEPJUHHUSA-N 1 2 241.331 1.250 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000878969554 590664114 /nfs/dbraw/zinc/66/41/14/590664114.db2.gz WLCLJXZOWKPNNK-NEPJUHHUSA-N 1 2 241.331 1.250 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@@H](O)C(C)C)s1 ZINC000878997827 590673643 /nfs/dbraw/zinc/67/36/43/590673643.db2.gz HRTHTVKSBDAKMQ-SNVBAGLBSA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@@H](O)C(C)C)s1 ZINC000878997827 590673647 /nfs/dbraw/zinc/67/36/47/590673647.db2.gz HRTHTVKSBDAKMQ-SNVBAGLBSA-N 1 2 243.376 1.685 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C=CCC1 ZINC000879073380 590693382 /nfs/dbraw/zinc/69/33/82/590693382.db2.gz SYXLPDHNCNCTEP-LLVKDONJSA-N 1 2 231.299 1.900 20 0 BDADLO Cc1coc(C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000879198927 590713058 /nfs/dbraw/zinc/71/30/58/590713058.db2.gz MQMOQLGUBDHKAW-UHFFFAOYSA-N 1 2 247.298 1.947 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2CCOC(F)F ZINC000879329491 590749148 /nfs/dbraw/zinc/74/91/48/590749148.db2.gz WPUQMPIOVLPPPW-UHFFFAOYSA-N 1 2 249.257 1.396 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2CCOC(F)F ZINC000879329491 590749151 /nfs/dbraw/zinc/74/91/51/590749151.db2.gz WPUQMPIOVLPPPW-UHFFFAOYSA-N 1 2 249.257 1.396 20 0 BDADLO CC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879502981 590782589 /nfs/dbraw/zinc/78/25/89/590782589.db2.gz RZKIXTXGRCVSPB-CYBMUJFWSA-N 1 2 245.326 1.455 20 0 BDADLO CC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879502981 590782592 /nfs/dbraw/zinc/78/25/92/590782592.db2.gz RZKIXTXGRCVSPB-CYBMUJFWSA-N 1 2 245.326 1.455 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879503084 590783601 /nfs/dbraw/zinc/78/36/01/590783601.db2.gz UKXSOTOWKXBGBO-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879503084 590783602 /nfs/dbraw/zinc/78/36/02/590783602.db2.gz UKXSOTOWKXBGBO-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCOC1=O ZINC000879526081 590789040 /nfs/dbraw/zinc/78/90/40/590789040.db2.gz JUHBMTXXNQALDI-VIFPVBQESA-N 1 2 249.270 1.135 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566739 590805631 /nfs/dbraw/zinc/80/56/31/590805631.db2.gz XIHYYCZFKTXKGK-DTWKUNHWSA-N 1 2 241.385 1.723 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566739 590805634 /nfs/dbraw/zinc/80/56/34/590805634.db2.gz XIHYYCZFKTXKGK-DTWKUNHWSA-N 1 2 241.385 1.723 20 0 BDADLO CC1(C)C[C@@H](O)C[N@H+](Cc2cnns2)C1 ZINC000879624532 590837870 /nfs/dbraw/zinc/83/78/70/590837870.db2.gz WFACAFIGFMUGSZ-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2cnns2)C1 ZINC000879624532 590837872 /nfs/dbraw/zinc/83/78/72/590837872.db2.gz WFACAFIGFMUGSZ-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2C[C@H](O)CC(C)(C)C2)no1 ZINC000879624460 590838290 /nfs/dbraw/zinc/83/82/90/590838290.db2.gz UQMJPHUCNWGIEY-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2C[C@H](O)CC(C)(C)C2)no1 ZINC000879624460 590838293 /nfs/dbraw/zinc/83/82/93/590838293.db2.gz UQMJPHUCNWGIEY-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)OC ZINC000879697067 590850665 /nfs/dbraw/zinc/85/06/65/590850665.db2.gz SNHJMBNQTTWBIW-UHFFFAOYSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1cc(N(C)Cc2cc[nH+]c(N(C)C)c2)n[nH]1 ZINC000879746500 590860910 /nfs/dbraw/zinc/86/09/10/590860910.db2.gz KBWCPWOEDAECTL-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCC[C@H](C)O ZINC000879983152 590903503 /nfs/dbraw/zinc/90/35/03/590903503.db2.gz VFKKFXIJTUKUTP-CMPLNLGQSA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](CC)OC ZINC000879981917 590903683 /nfs/dbraw/zinc/90/36/83/590903683.db2.gz XGDBDXYLJSSVGB-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H]1CCCO1 ZINC000879984379 590903968 /nfs/dbraw/zinc/90/39/68/590903968.db2.gz ZVKOJNUMAVBAIK-NEPJUHHUSA-N 1 2 241.331 1.487 20 0 BDADLO CC[C@H](C)[NH2+][C@@H](Cc1cncs1)C(=O)OC ZINC000879990253 590904239 /nfs/dbraw/zinc/90/42/39/590904239.db2.gz YMJBOKQGZUFDSQ-WPRPVWTQSA-N 1 2 242.344 1.615 20 0 BDADLO CCC[NH2+][C@H](Cc1cncs1)C(=O)OC ZINC000879991067 590905759 /nfs/dbraw/zinc/90/57/59/590905759.db2.gz CUNPDYJUSJAZNE-SECBINFHSA-N 1 2 228.317 1.227 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](C(C)(C)O)C2)no1 ZINC000880148079 590946219 /nfs/dbraw/zinc/94/62/19/590946219.db2.gz QGFRYSXIAMRPPT-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](C(C)(C)O)C2)no1 ZINC000880148079 590946220 /nfs/dbraw/zinc/94/62/20/590946220.db2.gz QGFRYSXIAMRPPT-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO CCn1ncc(C[N@H+](C)C2(COC)CCC2)n1 ZINC000880185099 590952819 /nfs/dbraw/zinc/95/28/19/590952819.db2.gz FIQCUIAOXAGFJU-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+](C)C2(COC)CCC2)n1 ZINC000880185099 590952821 /nfs/dbraw/zinc/95/28/21/590952821.db2.gz FIQCUIAOXAGFJU-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](CF)C2)no1 ZINC000880234298 590965560 /nfs/dbraw/zinc/96/55/60/590965560.db2.gz HXPADPFCRLGNGB-VIFPVBQESA-N 1 2 213.256 1.560 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](CF)C2)no1 ZINC000880234298 590965564 /nfs/dbraw/zinc/96/55/64/590965564.db2.gz HXPADPFCRLGNGB-VIFPVBQESA-N 1 2 213.256 1.560 20 0 BDADLO O=C(C[NH+]1CCC(F)CC1)NCC(F)(F)F ZINC000880238951 590970704 /nfs/dbraw/zinc/97/07/04/590970704.db2.gz OREGFOOJDFUHPW-UHFFFAOYSA-N 1 2 242.216 1.099 20 0 BDADLO FC1CC[NH+](Cc2cnns2)CC1 ZINC000880239187 590971264 /nfs/dbraw/zinc/97/12/64/590971264.db2.gz XDKXWELIPJOKSL-UHFFFAOYSA-N 1 2 201.270 1.472 20 0 BDADLO Cc1ccnc(C[NH+]2CCC(F)CC2)n1 ZINC000880239856 590972393 /nfs/dbraw/zinc/97/23/93/590972393.db2.gz HFPIMDIFPOETJY-UHFFFAOYSA-N 1 2 209.268 1.719 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880298553 590992198 /nfs/dbraw/zinc/99/21/98/590992198.db2.gz DMWSGQFRNPOIOZ-QMMMGPOBSA-N 1 2 229.255 1.007 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880298553 590992201 /nfs/dbraw/zinc/99/22/01/590992201.db2.gz DMWSGQFRNPOIOZ-QMMMGPOBSA-N 1 2 229.255 1.007 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880299943 590996000 /nfs/dbraw/zinc/99/60/00/590996000.db2.gz MQXONPBIIULBGX-SECBINFHSA-N 1 2 238.310 1.484 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@H](CF)C1 ZINC000880299943 590996002 /nfs/dbraw/zinc/99/60/02/590996002.db2.gz MQXONPBIIULBGX-SECBINFHSA-N 1 2 238.310 1.484 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cc(C(F)(F)F)co1)C2 ZINC000880420334 591028372 /nfs/dbraw/zinc/02/83/72/591028372.db2.gz DBOXAKPQZMLNEG-PSASIEDQSA-N 1 2 247.216 1.865 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cc(C(F)(F)F)co1)C2 ZINC000880420334 591028377 /nfs/dbraw/zinc/02/83/77/591028377.db2.gz DBOXAKPQZMLNEG-PSASIEDQSA-N 1 2 247.216 1.865 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1scnc1Cl)C2 ZINC000880420752 591029263 /nfs/dbraw/zinc/02/92/63/591029263.db2.gz NWNZUFBZDDHFGH-RCOVLWMOSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1scnc1Cl)C2 ZINC000880420752 591029268 /nfs/dbraw/zinc/02/92/68/591029268.db2.gz NWNZUFBZDDHFGH-RCOVLWMOSA-N 1 2 230.720 1.363 20 0 BDADLO CCc1nnc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)s1 ZINC000880435641 591036084 /nfs/dbraw/zinc/03/60/84/591036084.db2.gz RGFVQIHQRGKVCG-IUCAKERBSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@H+]2[C@@H](C)CC[C@H]2CO)s1 ZINC000880435641 591036090 /nfs/dbraw/zinc/03/60/90/591036090.db2.gz RGFVQIHQRGKVCG-IUCAKERBSA-N 1 2 241.360 1.446 20 0 BDADLO CC[N@H+](Cc1cnc[nH]1)[C@H](CO)c1ccccc1 ZINC000880464949 591051731 /nfs/dbraw/zinc/05/17/31/591051731.db2.gz YPEBSFGTSFTGPU-CQSZACIVSA-N 1 2 245.326 1.965 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000880485236 591059491 /nfs/dbraw/zinc/05/94/91/591059491.db2.gz YDJQXIXSNWTHHO-NSHDSACASA-N 1 2 246.266 1.667 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000880485236 591059496 /nfs/dbraw/zinc/05/94/96/591059496.db2.gz YDJQXIXSNWTHHO-NSHDSACASA-N 1 2 246.266 1.667 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000880488614 591065168 /nfs/dbraw/zinc/06/51/68/591065168.db2.gz IKBCFWNOHUSHEW-SNVBAGLBSA-N 1 2 220.272 1.285 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000880488614 591065173 /nfs/dbraw/zinc/06/51/73/591065173.db2.gz IKBCFWNOHUSHEW-SNVBAGLBSA-N 1 2 220.272 1.285 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1C/C(Cl)=C/Cl ZINC000880489964 591065474 /nfs/dbraw/zinc/06/54/74/591065474.db2.gz ZRBKXTQVBNSCGZ-RBMBQVQZSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@H]1C=CC[N@H+]1C/C(Cl)=C/Cl ZINC000880489964 591065478 /nfs/dbraw/zinc/06/54/78/591065478.db2.gz ZRBKXTQVBNSCGZ-RBMBQVQZSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ncccc1Cl ZINC000880494456 591073795 /nfs/dbraw/zinc/07/37/95/591073795.db2.gz NOTGUMUCHTXABY-VIFPVBQESA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ncccc1Cl ZINC000880494456 591073798 /nfs/dbraw/zinc/07/37/98/591073798.db2.gz NOTGUMUCHTXABY-VIFPVBQESA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1CC=C(Cl)Cl ZINC000880494895 591073890 /nfs/dbraw/zinc/07/38/90/591073890.db2.gz VRJPMNFMMKWKAH-ZETCQYMHSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1CC=C(Cl)Cl ZINC000880494895 591073894 /nfs/dbraw/zinc/07/38/94/591073894.db2.gz VRJPMNFMMKWKAH-ZETCQYMHSA-N 1 2 208.088 1.538 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(N)=O)on1 ZINC000880588277 591101043 /nfs/dbraw/zinc/10/10/43/591101043.db2.gz SOQLQVXMYHBWTD-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](CC(C)C)C(N)=O)on1 ZINC000880588277 591101046 /nfs/dbraw/zinc/10/10/46/591101046.db2.gz SOQLQVXMYHBWTD-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1oncc1C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880589854 591103429 /nfs/dbraw/zinc/10/34/29/591103429.db2.gz GCTCJEIUNIGDOF-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1oncc1C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880589854 591103431 /nfs/dbraw/zinc/10/34/31/591103431.db2.gz GCTCJEIUNIGDOF-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880595965 591104351 /nfs/dbraw/zinc/10/43/51/591104351.db2.gz VVDWCBVBSXVBEP-UHFFFAOYSA-N 1 2 249.314 1.176 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCc2ncncc2C1 ZINC000880595965 591104354 /nfs/dbraw/zinc/10/43/54/591104354.db2.gz VVDWCBVBSXVBEP-UHFFFAOYSA-N 1 2 249.314 1.176 20 0 BDADLO CCC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880599136 591108353 /nfs/dbraw/zinc/10/83/53/591108353.db2.gz GOXUGRZNFABLOP-UHFFFAOYSA-N 1 2 219.288 1.204 20 0 BDADLO CCC(=O)CC[N@H+]1CCc2ncncc2C1 ZINC000880599136 591108356 /nfs/dbraw/zinc/10/83/56/591108356.db2.gz GOXUGRZNFABLOP-UHFFFAOYSA-N 1 2 219.288 1.204 20 0 BDADLO Cc1nc(C[N@@H+]2CCc3ncncc3C2)[nH]c1C ZINC000880598029 591108434 /nfs/dbraw/zinc/10/84/34/591108434.db2.gz JAOXJXCOSBRFTE-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cc1nc(C[N@H+]2CCc3ncncc3C2)[nH]c1C ZINC000880598029 591108438 /nfs/dbraw/zinc/10/84/38/591108438.db2.gz JAOXJXCOSBRFTE-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cc1[nH]c(CN2CCc3ncncc3C2)[nH+]c1C ZINC000880598029 591108440 /nfs/dbraw/zinc/10/84/40/591108440.db2.gz JAOXJXCOSBRFTE-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CC[N@H+]1[C@H](C)CN(C(=O)C(F)(F)F)C[C@@H]1C ZINC000880609571 591109221 /nfs/dbraw/zinc/10/92/21/591109221.db2.gz ZKLYHDNZTHZNEB-OCAPTIKFSA-N 1 2 238.253 1.490 20 0 BDADLO CC[N@@H+]1[C@H](C)CN(C(=O)C(F)(F)F)C[C@@H]1C ZINC000880609571 591109224 /nfs/dbraw/zinc/10/92/24/591109224.db2.gz ZKLYHDNZTHZNEB-OCAPTIKFSA-N 1 2 238.253 1.490 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCc1cnoc1 ZINC000880796060 591142237 /nfs/dbraw/zinc/14/22/37/591142237.db2.gz BQVHRIRTWDCBQA-UHFFFAOYSA-N 1 2 248.286 1.010 20 0 BDADLO CCCC(=O)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000880947631 591153711 /nfs/dbraw/zinc/15/37/11/591153711.db2.gz ODECEAJGQYJKCN-UHFFFAOYSA-N 1 2 219.248 1.032 20 0 BDADLO CCCC(=O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000881299195 591182682 /nfs/dbraw/zinc/18/26/82/591182682.db2.gz ASYOYGFAMWNQJV-UHFFFAOYSA-N 1 2 247.302 1.548 20 0 BDADLO Cc1[nH+]cccc1Cn1cc([C@@H]2CCOC2)nn1 ZINC000881299163 591183532 /nfs/dbraw/zinc/18/35/32/591183532.db2.gz ZOLMELIOIWKQQG-GFCCVEGCSA-N 1 2 244.298 1.534 20 0 BDADLO O[C@H](c1cn(CCCn2cc[nH+]c2)nn1)C1CC1 ZINC000881301034 591184514 /nfs/dbraw/zinc/18/45/14/591184514.db2.gz RKHMNAUYMAEQHV-LBPRGKRZSA-N 1 2 247.302 1.008 20 0 BDADLO CCCC(=O)c1cn(CCn2cc[nH+]c2)nn1 ZINC000881345626 591194585 /nfs/dbraw/zinc/19/45/85/591194585.db2.gz XMBQJCFRRLCLRE-UHFFFAOYSA-N 1 2 233.275 1.158 20 0 BDADLO C[C@H]1CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000881479905 591210094 /nfs/dbraw/zinc/21/00/94/591210094.db2.gz IWNDRHYNUJZQHS-JTQLQIEISA-N 1 2 229.283 1.498 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](CF)C1 ZINC000881601740 591253188 /nfs/dbraw/zinc/25/31/88/591253188.db2.gz NBKWWKYFPNCOKG-JTQLQIEISA-N 1 2 239.294 1.550 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](CF)C1 ZINC000881601740 591253190 /nfs/dbraw/zinc/25/31/90/591253190.db2.gz NBKWWKYFPNCOKG-JTQLQIEISA-N 1 2 239.294 1.550 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCC(F)CC1 ZINC000881610688 591256461 /nfs/dbraw/zinc/25/64/61/591256461.db2.gz WPNGHBADTHYPAI-UHFFFAOYSA-N 1 2 247.273 1.908 20 0 BDADLO Cc1ncnc(NCCn2cc[nH+]c2)c1C ZINC000881762816 591269659 /nfs/dbraw/zinc/26/96/59/591269659.db2.gz MFFBTADFEHUJGV-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO CC(=O)N1CCC(Nc2nc[nH+]c(C)c2C)CC1 ZINC000881774471 591270135 /nfs/dbraw/zinc/27/01/35/591270135.db2.gz OUHBBFPHSSIVFU-UHFFFAOYSA-N 1 2 248.330 1.516 20 0 BDADLO COC(=O)[C@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000881827030 591273706 /nfs/dbraw/zinc/27/37/06/591273706.db2.gz AIQRSOUEAMISJH-JTQLQIEISA-N 1 2 235.287 1.093 20 0 BDADLO COC[C@@H](C)CNc1nc[nH+]c(C)c1C ZINC000881847637 591274321 /nfs/dbraw/zinc/27/43/21/591274321.db2.gz HSUHIXJBWYYERX-QMMMGPOBSA-N 1 2 209.293 1.788 20 0 BDADLO CO[C@H](C)CCNc1nc[nH+]c(C)c1C ZINC000881905789 591277245 /nfs/dbraw/zinc/27/72/45/591277245.db2.gz WUTAQZPTCKRBPR-MRVPVSSYSA-N 1 2 209.293 1.930 20 0 BDADLO CCCOC(=O)CCNc1nc[nH+]c(C)c1C ZINC000881953644 591283244 /nfs/dbraw/zinc/28/32/44/591283244.db2.gz XPCQELWSWCNGQN-UHFFFAOYSA-N 1 2 237.303 1.849 20 0 BDADLO COC(=O)[C@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882090595 591295880 /nfs/dbraw/zinc/29/58/80/591295880.db2.gz RRSVSSPHKHKZAH-CYBMUJFWSA-N 1 2 249.314 1.483 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@@H]([C@H](C)O)C2)c1C ZINC000882121448 591301320 /nfs/dbraw/zinc/30/13/20/591301320.db2.gz RYSFHUNAVZMXNC-NWDGAFQWSA-N 1 2 235.331 1.691 20 0 BDADLO OCCCCCCNc1cc(CO)cc[nH+]1 ZINC000882161638 591308892 /nfs/dbraw/zinc/30/88/92/591308892.db2.gz LWDOCHQOVZWCHL-UHFFFAOYSA-N 1 2 224.304 1.539 20 0 BDADLO Cc1[nH+]cnc(NCC[C@H]2CCOC2)c1C ZINC000882179727 591312169 /nfs/dbraw/zinc/31/21/69/591312169.db2.gz SCYHNUVGYFJIRK-NSHDSACASA-N 1 2 221.304 1.932 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)c2ncn(C)n2)c1C ZINC000882230138 591318813 /nfs/dbraw/zinc/31/88/13/591318813.db2.gz NWUIWVRGPDMVAJ-SECBINFHSA-N 1 2 232.291 1.395 20 0 BDADLO Cc1[nH+]cnc(N2CC(C3CCOCC3)C2)c1C ZINC000882314767 591329753 /nfs/dbraw/zinc/32/97/53/591329753.db2.gz BVYIXHJBMOGPLN-UHFFFAOYSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2C[C@@](C)(O)C2)c1C ZINC000882469374 591352943 /nfs/dbraw/zinc/35/29/43/591352943.db2.gz XVLUBGPMUMFSFW-JGZJWPJOSA-N 1 2 207.277 1.419 20 0 BDADLO Cc1cnc(C)c(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000882574683 591392896 /nfs/dbraw/zinc/39/28/96/591392896.db2.gz ISOQFVITSVEPBX-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO Cc1cnc(C)c(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000882574683 591392901 /nfs/dbraw/zinc/39/29/01/591392901.db2.gz ISOQFVITSVEPBX-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2CSC2)[nH+]1 ZINC000882625230 591402719 /nfs/dbraw/zinc/40/27/19/591402719.db2.gz DZJWRZOVQLDVPC-UHFFFAOYSA-N 1 2 220.301 1.794 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](C)[C@@H](CO)C2)c1C ZINC000882645905 591407254 /nfs/dbraw/zinc/40/72/54/591407254.db2.gz RRDAORVQLSVPEH-JOYOIKCWSA-N 1 2 235.331 1.548 20 0 BDADLO O=C1NCCC12CCN(c1cc[nH+]cc1F)CC2 ZINC000882713728 591418141 /nfs/dbraw/zinc/41/81/41/591418141.db2.gz JLOCPYAVBNPMSM-UHFFFAOYSA-N 1 2 249.289 1.327 20 0 BDADLO C[C@@H](O)CNc1cc(NC[C@H]2C=CCC2)[nH+]cn1 ZINC000882757727 591431033 /nfs/dbraw/zinc/43/10/33/591431033.db2.gz OFKUWKXTOUPELN-MNOVXSKESA-N 1 2 248.330 1.647 20 0 BDADLO C[C@@H](O)CNc1cc(NC[C@H]2C=CCC2)nc[nH+]1 ZINC000882757727 591431035 /nfs/dbraw/zinc/43/10/35/591431035.db2.gz OFKUWKXTOUPELN-MNOVXSKESA-N 1 2 248.330 1.647 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000882798209 591442893 /nfs/dbraw/zinc/44/28/93/591442893.db2.gz YRLPTMUQAGRACS-XYPYZODXSA-N 1 2 243.310 1.889 20 0 BDADLO CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3F)C[C@H]2C1 ZINC000882849178 591454595 /nfs/dbraw/zinc/45/45/95/591454595.db2.gz CHRHHTRORLRORR-PHIMTYICSA-N 1 2 249.289 1.135 20 0 BDADLO CC(C)c1c[nH]c(C[NH2+]Cc2cnn(C)c2)n1 ZINC000882915232 591474685 /nfs/dbraw/zinc/47/46/85/591474685.db2.gz KWRONPYBDGURCR-UHFFFAOYSA-N 1 2 233.319 1.556 20 0 BDADLO CO[C@H]1COCC[C@@H]1N(C)c1cc[nH+]c(C)n1 ZINC000882939588 591478356 /nfs/dbraw/zinc/47/83/56/591478356.db2.gz BMSMCXWZGWNOLC-QWRGUYRKSA-N 1 2 237.303 1.025 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC=C[C@H]2CO)[nH+]1 ZINC000882976922 591489860 /nfs/dbraw/zinc/48/98/60/591489860.db2.gz RECXSQPBGFZMSO-VIFPVBQESA-N 1 2 230.271 1.003 20 0 BDADLO NC(CO)=[NH+]OCCSc1ccccc1 ZINC000883011641 591511258 /nfs/dbraw/zinc/51/12/58/591511258.db2.gz DBYQWIVLDGTUNZ-UHFFFAOYSA-N 1 2 226.301 1.269 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CO)c(C)c1 ZINC000883012600 591512990 /nfs/dbraw/zinc/51/29/90/591512990.db2.gz LMKQOGPXBVVPHP-UHFFFAOYSA-N 1 2 208.261 1.294 20 0 BDADLO C[C@@H]1CCCC[C@@H]1CO[NH+]=C(N)CO ZINC000883013481 591514900 /nfs/dbraw/zinc/51/49/00/591514900.db2.gz PHXZDNRMMIZYIF-RKDXNWHRSA-N 1 2 200.282 1.303 20 0 BDADLO Fc1c[nH+]ccc1N1CCc2ncncc2C1 ZINC000883017399 591515756 /nfs/dbraw/zinc/51/57/56/591515756.db2.gz JSIQOJLFRWFRJX-UHFFFAOYSA-N 1 2 230.246 1.573 20 0 BDADLO Cc1noc([C@@H](C)O[NH+]=C(N)c2ccccc2)n1 ZINC000883048693 591528138 /nfs/dbraw/zinc/52/81/38/591528138.db2.gz UEOPBDVMXQNTPD-MRVPVSSYSA-N 1 2 246.270 1.986 20 0 BDADLO Cc1ccccc1C(N)=[NH+]O[C@H]1CCN(C)C1=O ZINC000883059314 591531712 /nfs/dbraw/zinc/53/17/12/591531712.db2.gz SLIBNJUHXKBQOU-NSHDSACASA-N 1 2 247.298 1.072 20 0 BDADLO COCc1cc(C[NH2+][C@@H](C)c2ccc[nH]2)no1 ZINC000883077416 591535252 /nfs/dbraw/zinc/53/52/52/591535252.db2.gz JAGFCIUYOUZBOU-VIFPVBQESA-N 1 2 235.287 2.000 20 0 BDADLO Cc1cc(C[NH2+]C2(CF)CCOCC2)no1 ZINC000883132805 591546651 /nfs/dbraw/zinc/54/66/51/591546651.db2.gz FDOMNYYBIHVKQP-UHFFFAOYSA-N 1 2 228.267 1.591 20 0 BDADLO C=C/C=C/CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883143417 591550504 /nfs/dbraw/zinc/55/05/04/591550504.db2.gz KEQNQAMOWMGCSW-ITKZLYELSA-N 1 2 248.330 1.703 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)no1 ZINC000883140359 591550541 /nfs/dbraw/zinc/55/05/41/591550541.db2.gz RBMFKPVXYZLIPV-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCC23OCCO3)no1 ZINC000883178224 591564054 /nfs/dbraw/zinc/56/40/54/591564054.db2.gz RDUXRJHMFONDTR-NSHDSACASA-N 1 2 238.287 1.368 20 0 BDADLO Cc1n[nH]cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883308895 591611189 /nfs/dbraw/zinc/61/11/89/591611189.db2.gz ZPVHQTXAXRLNER-UHFFFAOYSA-N 1 2 243.314 1.677 20 0 BDADLO CC[NH+]1CC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000883354095 591624640 /nfs/dbraw/zinc/62/46/40/591624640.db2.gz KOZOXNPXFWJGDI-RDBSUJKOSA-N 1 2 239.407 1.401 20 0 BDADLO CC[NH+]1CC[C@H]1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883354095 591624641 /nfs/dbraw/zinc/62/46/41/591624641.db2.gz KOZOXNPXFWJGDI-RDBSUJKOSA-N 1 2 239.407 1.401 20 0 BDADLO C=C/C=C\CCNC(=O)NCc1c[nH+]cn1C ZINC000883652713 591710482 /nfs/dbraw/zinc/71/04/82/591710482.db2.gz ZPIPTIBLOZNQJR-PLNGDYQASA-N 1 2 234.303 1.352 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H]1C=CCC1 ZINC000883674099 591716140 /nfs/dbraw/zinc/71/61/40/591716140.db2.gz CKHMUCPZKVKDGP-LLVKDONJSA-N 1 2 248.330 1.668 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C=CCC1 ZINC000883784122 591741180 /nfs/dbraw/zinc/74/11/80/591741180.db2.gz NDBDRPHNBPVRKK-SNVBAGLBSA-N 1 2 234.303 1.517 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C=CCC1 ZINC000883784122 591741182 /nfs/dbraw/zinc/74/11/82/591741182.db2.gz NDBDRPHNBPVRKK-SNVBAGLBSA-N 1 2 234.303 1.517 20 0 BDADLO CCCNc1cc(N(C)CCCOC)nc[nH+]1 ZINC000133079727 591762169 /nfs/dbraw/zinc/76/21/69/591762169.db2.gz CRKNAIOSFMSLPJ-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCCNc1cc(N(C)CCCOC)[nH+]cn1 ZINC000133079727 591762170 /nfs/dbraw/zinc/76/21/70/591762170.db2.gz CRKNAIOSFMSLPJ-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO C[C@@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000133116558 591766289 /nfs/dbraw/zinc/76/62/89/591766289.db2.gz VDBRCORXSVCCNV-IUCAKERBSA-N 1 2 217.309 1.077 20 0 BDADLO CC(C)CCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800107416 591823008 /nfs/dbraw/zinc/82/30/08/591823008.db2.gz QJTAQONOMRWPSK-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)CCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800107416 591823010 /nfs/dbraw/zinc/82/30/10/591823010.db2.gz QJTAQONOMRWPSK-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CC2(C)C)CCO1 ZINC000800188144 591835326 /nfs/dbraw/zinc/83/53/26/591835326.db2.gz ZJWAILSWPLUVTE-GHMZBOCLSA-N 1 2 241.331 1.296 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CC2(C)C)CCO1 ZINC000800188144 591835330 /nfs/dbraw/zinc/83/53/30/591835330.db2.gz ZJWAILSWPLUVTE-GHMZBOCLSA-N 1 2 241.331 1.296 20 0 BDADLO CC[C@@H](C)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800212037 591840940 /nfs/dbraw/zinc/84/09/40/591840940.db2.gz AOQCKMOQZPNYSM-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@@H](C)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800212037 591840945 /nfs/dbraw/zinc/84/09/45/591840945.db2.gz AOQCKMOQZPNYSM-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO C[NH2+][C@@H](CC(C)C)C(=O)N=c1sccn1C ZINC000884174960 591866860 /nfs/dbraw/zinc/86/68/60/591866860.db2.gz CUOBJSFYDOKGFF-VIFPVBQESA-N 1 2 241.360 1.148 20 0 BDADLO CCc1nc(NC2(COC)CC2)cc[nH+]1 ZINC000884496767 591956704 /nfs/dbraw/zinc/95/67/04/591956704.db2.gz GRZJLBAWMKSXCX-UHFFFAOYSA-N 1 2 207.277 1.630 20 0 BDADLO CCc1nc(N2CCOC[C@@H]2C)cc[nH+]1 ZINC000884518666 591964013 /nfs/dbraw/zinc/96/40/13/591964013.db2.gz WGPFGKAMYMJGOH-VIFPVBQESA-N 1 2 207.277 1.264 20 0 BDADLO CCc1nc(N[C@H]2CCn3ccnc32)cc[nH+]1 ZINC000884518500 591964051 /nfs/dbraw/zinc/96/40/51/591964051.db2.gz QVNCQGOBDBOWIL-VIFPVBQESA-N 1 2 229.287 1.792 20 0 BDADLO CCc1nc(N2CCC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000884520952 591965036 /nfs/dbraw/zinc/96/50/36/591965036.db2.gz KAGKRUYYCCMHDR-NXEZZACHSA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(N2C[C@H](O)C[C@H](C)C2)cc[nH+]1 ZINC000884524963 591965844 /nfs/dbraw/zinc/96/58/44/591965844.db2.gz KDYKJFPZEKFPOO-VHSXEESVSA-N 1 2 221.304 1.246 20 0 BDADLO CCc1nc(N[C@@H](C)C(=O)NC(C)C)cc[nH+]1 ZINC000884531269 591968763 /nfs/dbraw/zinc/96/87/63/591968763.db2.gz HYNZFWNYOQEJCE-VIFPVBQESA-N 1 2 236.319 1.364 20 0 BDADLO CCc1nc(NC2CCN(OC)CC2)cc[nH+]1 ZINC000884534666 591970313 /nfs/dbraw/zinc/97/03/13/591970313.db2.gz LMUPSHOXGUCRIK-UHFFFAOYSA-N 1 2 236.319 1.477 20 0 BDADLO CCc1nc(N[C@H](C)c2n[nH]c(=O)n2C)cc[nH+]1 ZINC000884547129 591975382 /nfs/dbraw/zinc/97/53/82/591975382.db2.gz CGSHABLSQPEFIR-SSDOTTSWSA-N 1 2 248.290 1.046 20 0 BDADLO CCc1nc(N(C)CCCC(=O)OC)cc[nH+]1 ZINC000884557839 591978312 /nfs/dbraw/zinc/97/83/12/591978312.db2.gz AZCFMHVEFQPYFU-UHFFFAOYSA-N 1 2 237.303 1.428 20 0 BDADLO CCc1nc(NCc2ccc[nH]c2=O)cc[nH+]1 ZINC000884566999 591983581 /nfs/dbraw/zinc/98/35/81/591983581.db2.gz ZESXCXNXCVGLGI-UHFFFAOYSA-N 1 2 230.271 1.752 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2C[C@@H](O)[C@@H](O)C2)c1Cl ZINC000884623008 591995718 /nfs/dbraw/zinc/99/57/18/591995718.db2.gz KGAGZKGTSKSLTQ-AYMMMOKOSA-N 1 2 242.706 1.340 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1C ZINC000884646224 592001822 /nfs/dbraw/zinc/00/18/22/592001822.db2.gz LJOQMNSENULSCL-TUAOUCFPSA-N 1 2 233.315 1.301 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000135409047 592012298 /nfs/dbraw/zinc/01/22/98/592012298.db2.gz UEORYJANWCAIEV-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000135409047 592012301 /nfs/dbraw/zinc/01/23/01/592012301.db2.gz UEORYJANWCAIEV-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H]1CCC(=O)CN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000885065704 592044263 /nfs/dbraw/zinc/04/42/63/592044263.db2.gz GOIVRDJGPOSUDJ-AYYIZTPMSA-N 1 2 247.298 1.013 20 0 BDADLO C[C@@H]1C(=O)CCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000885068027 592044528 /nfs/dbraw/zinc/04/45/28/592044528.db2.gz WKDDKNMBWIOVOH-BRAIEQGRSA-N 1 2 247.298 1.013 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@](C)(O)C(F)F)no1 ZINC000885951909 592113914 /nfs/dbraw/zinc/11/39/14/592113914.db2.gz RFUJCBIKIHBFMY-JTQLQIEISA-N 1 2 234.246 1.431 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@](C)(O)C(F)F)no1 ZINC000885951909 592113916 /nfs/dbraw/zinc/11/39/16/592113916.db2.gz RFUJCBIKIHBFMY-JTQLQIEISA-N 1 2 234.246 1.431 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCOC1CCCCC1 ZINC000885981930 592120724 /nfs/dbraw/zinc/12/07/24/592120724.db2.gz QQJIKZXMWMYTSY-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCOC1CCCCC1 ZINC000885981930 592120725 /nfs/dbraw/zinc/12/07/25/592120725.db2.gz QQJIKZXMWMYTSY-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2[nH]nc(C)c2C)[nH]1 ZINC000886052806 592141379 /nfs/dbraw/zinc/14/13/79/592141379.db2.gz YKNVDVZJOUYULF-SECBINFHSA-N 1 2 248.334 1.558 20 0 BDADLO Fc1cc(NCCCCn2cc[nH+]c2)ncn1 ZINC000136893208 592152235 /nfs/dbraw/zinc/15/22/35/592152235.db2.gz MIOFAVJNCTXCHL-UHFFFAOYSA-N 1 2 235.266 1.705 20 0 BDADLO Cc1coc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000886158031 592165859 /nfs/dbraw/zinc/16/58/59/592165859.db2.gz QCBCZLKARHYUPP-KOLCDFICSA-N 1 2 232.287 1.975 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cc(C)co2)n1 ZINC000886168804 592168797 /nfs/dbraw/zinc/16/87/97/592168797.db2.gz ZLXARGSECHFWHD-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCSC(F)(F)F ZINC000886184129 592171230 /nfs/dbraw/zinc/17/12/30/592171230.db2.gz UYZRQLVVZOTQEJ-LURJTMIESA-N 1 2 245.266 1.733 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCSC(F)(F)F ZINC000886184129 592171232 /nfs/dbraw/zinc/17/12/32/592171232.db2.gz UYZRQLVVZOTQEJ-LURJTMIESA-N 1 2 245.266 1.733 20 0 BDADLO CCn1cc[nH+]c1CNc1n[nH]c(C)c1C ZINC000886195911 592173577 /nfs/dbraw/zinc/17/35/77/592173577.db2.gz ANOFKRWCMCQQNA-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1csnn1 ZINC000886249543 592186996 /nfs/dbraw/zinc/18/69/96/592186996.db2.gz NBTCRTQCGLBTKU-SVGQVSJJSA-N 1 2 237.275 1.205 20 0 BDADLO CN(C(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1)c1nccs1 ZINC000886334125 592211546 /nfs/dbraw/zinc/21/15/46/592211546.db2.gz RCQXRZZQSWPMAM-DTORHVGOSA-N 1 2 237.328 1.058 20 0 BDADLO CN(C(=O)C[N@H+]1C[C@@H]2C[C@@H]2C1)c1nccs1 ZINC000886334125 592211548 /nfs/dbraw/zinc/21/15/48/592211548.db2.gz RCQXRZZQSWPMAM-DTORHVGOSA-N 1 2 237.328 1.058 20 0 BDADLO c1ncc(C[N@@H+]2CCCn3nncc3C2)s1 ZINC000886467159 592229782 /nfs/dbraw/zinc/22/97/82/592229782.db2.gz WWTDJIHVXFRYDO-UHFFFAOYSA-N 1 2 235.316 1.141 20 0 BDADLO c1ncc(C[N@H+]2CCCn3nncc3C2)s1 ZINC000886467159 592229783 /nfs/dbraw/zinc/22/97/83/592229783.db2.gz WWTDJIHVXFRYDO-UHFFFAOYSA-N 1 2 235.316 1.141 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000886481917 592231445 /nfs/dbraw/zinc/23/14/45/592231445.db2.gz MMSMWOHNLSIFBP-SZEHBUNVSA-N 1 2 227.333 1.444 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000886481917 592231448 /nfs/dbraw/zinc/23/14/48/592231448.db2.gz MMSMWOHNLSIFBP-SZEHBUNVSA-N 1 2 227.333 1.444 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ccn[nH]1)c1cnn(C)c1 ZINC000886524254 592245875 /nfs/dbraw/zinc/24/58/75/592245875.db2.gz HBFUIYOGFKTTDB-GFCCVEGCSA-N 1 2 233.319 1.630 20 0 BDADLO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ncco1 ZINC000886532745 592249085 /nfs/dbraw/zinc/24/90/85/592249085.db2.gz OBQIEKYREGQHSE-VIFPVBQESA-N 1 2 246.332 1.148 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886550000 592257414 /nfs/dbraw/zinc/25/74/14/592257414.db2.gz QLWBHINSKURNKI-CYBMUJFWSA-N 1 2 247.346 1.939 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+][C@H]1CCc3cccnc31)CC2 ZINC000886615310 592275420 /nfs/dbraw/zinc/27/54/20/592275420.db2.gz CZDBBCKMYRUACR-RYUDHWBXSA-N 1 2 240.310 2.000 20 0 BDADLO CC[C@@H](C)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886626219 592281430 /nfs/dbraw/zinc/28/14/30/592281430.db2.gz SZJKTQJEYKNUGJ-SNVBAGLBSA-N 1 2 235.331 1.834 20 0 BDADLO OC[C@]12CCC[C@H]1[N@H+](Cc1cnsn1)CC2 ZINC000886634387 592284572 /nfs/dbraw/zinc/28/45/72/592284572.db2.gz CSCGTUXRYHWVBM-GHMZBOCLSA-N 1 2 239.344 1.275 20 0 BDADLO OC[C@]12CCC[C@H]1[N@@H+](Cc1cnsn1)CC2 ZINC000886634387 592284574 /nfs/dbraw/zinc/28/45/74/592284574.db2.gz CSCGTUXRYHWVBM-GHMZBOCLSA-N 1 2 239.344 1.275 20 0 BDADLO CCc1onc(C)c1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000886667271 592296652 /nfs/dbraw/zinc/29/66/52/592296652.db2.gz SMURCJPEAPTMAU-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO C[C@H](N[C@H](CCO)C(F)(F)F)c1[nH]cc[nH+]1 ZINC000886801440 592332017 /nfs/dbraw/zinc/33/20/17/592332017.db2.gz NLLPUNBOUIJJME-NKWVEPMBSA-N 1 2 237.225 1.374 20 0 BDADLO O=C(N[C@H]1C[C@H](CO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000886880647 592381458 /nfs/dbraw/zinc/38/14/58/592381458.db2.gz XVBHYJYVVDDWHE-CZMCAQCFSA-N 1 2 245.282 1.064 20 0 BDADLO CCOC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]C(C)C ZINC000886959272 592401339 /nfs/dbraw/zinc/40/13/39/592401339.db2.gz NBDWMAARIYZANU-WDEREUQCSA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CC1=CCCC1 ZINC000887077032 592436267 /nfs/dbraw/zinc/43/62/67/592436267.db2.gz CIKIJEXZCKSITL-LLVKDONJSA-N 1 2 241.356 1.687 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CC1=CCCC1 ZINC000887077032 592436269 /nfs/dbraw/zinc/43/62/69/592436269.db2.gz CIKIJEXZCKSITL-LLVKDONJSA-N 1 2 241.356 1.687 20 0 BDADLO CC/C=C/CC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887076065 592436337 /nfs/dbraw/zinc/43/63/37/592436337.db2.gz WDHSOVZOYBDNIE-ZWNMCFTASA-N 1 2 243.372 1.933 20 0 BDADLO CC/C=C/CC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887076065 592436340 /nfs/dbraw/zinc/43/63/40/592436340.db2.gz WDHSOVZOYBDNIE-ZWNMCFTASA-N 1 2 243.372 1.933 20 0 BDADLO CCc1nc(C[N@H+](C)CCCF)no1 ZINC000887137940 592453197 /nfs/dbraw/zinc/45/31/97/592453197.db2.gz YMMGOPJOHJJCKC-UHFFFAOYSA-N 1 2 201.245 1.423 20 0 BDADLO CCc1nc(C[N@@H+](C)CCCF)no1 ZINC000887137940 592453201 /nfs/dbraw/zinc/45/32/01/592453201.db2.gz YMMGOPJOHJJCKC-UHFFFAOYSA-N 1 2 201.245 1.423 20 0 BDADLO CC(C)n1cc(C[N@H+](C)CCCF)nn1 ZINC000887142544 592459142 /nfs/dbraw/zinc/45/91/42/592459142.db2.gz OVNRKNWIYROORP-UHFFFAOYSA-N 1 2 214.288 1.650 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)CCCF)nn1 ZINC000887142544 592459143 /nfs/dbraw/zinc/45/91/43/592459143.db2.gz OVNRKNWIYROORP-UHFFFAOYSA-N 1 2 214.288 1.650 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)o1 ZINC000887235800 592469046 /nfs/dbraw/zinc/46/90/46/592469046.db2.gz OHPDLBHIBHHPQH-RKDXNWHRSA-N 1 2 246.270 1.702 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC000887235800 592469050 /nfs/dbraw/zinc/46/90/50/592469050.db2.gz OHPDLBHIBHHPQH-RKDXNWHRSA-N 1 2 246.270 1.702 20 0 BDADLO CCc1cnc(NC(=O)CCc2c[nH+]c[nH]2)o1 ZINC000887236991 592469620 /nfs/dbraw/zinc/46/96/20/592469620.db2.gz DAVIHUWPLHLUHT-UHFFFAOYSA-N 1 2 234.259 1.531 20 0 BDADLO CCc1cnc(NC(=O)CCc2c[nH]c[nH+]2)o1 ZINC000887236991 592469621 /nfs/dbraw/zinc/46/96/21/592469621.db2.gz DAVIHUWPLHLUHT-UHFFFAOYSA-N 1 2 234.259 1.531 20 0 BDADLO CCn1cc(C[N@H+](C)[C@H](C)c2ccncc2)nn1 ZINC000887555416 592525185 /nfs/dbraw/zinc/52/51/85/592525185.db2.gz KSKNMACAUOYCQX-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@H](C)c2ccncc2)nn1 ZINC000887555416 592525186 /nfs/dbraw/zinc/52/51/86/592525186.db2.gz KSKNMACAUOYCQX-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889320681 592596327 /nfs/dbraw/zinc/59/63/27/592596327.db2.gz CPPKBPKGWNICQQ-LSKIRQOJSA-N 1 2 249.314 1.149 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889320681 592596329 /nfs/dbraw/zinc/59/63/29/592596329.db2.gz CPPKBPKGWNICQQ-LSKIRQOJSA-N 1 2 249.314 1.149 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]1C1CCCC1 ZINC000889408837 592609092 /nfs/dbraw/zinc/60/90/92/592609092.db2.gz CBNBIGZUWYRILT-LLVKDONJSA-N 1 2 233.315 1.743 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)CO2)cc[nH+]1 ZINC000889792526 592653348 /nfs/dbraw/zinc/65/33/48/592653348.db2.gz BHRONVYPSZPESC-KCJUWKMLSA-N 1 2 220.272 1.175 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000890104560 592681210 /nfs/dbraw/zinc/68/12/10/592681210.db2.gz MESPBXMDCJAAJW-AXFHLTTASA-N 1 2 233.315 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000890104890 592681746 /nfs/dbraw/zinc/68/17/46/592681746.db2.gz SKUKBDHEMBKSCT-SCVCMEIPSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)c1ccccn1 ZINC000890108101 592682516 /nfs/dbraw/zinc/68/25/16/592682516.db2.gz UMHGQULYPOVADH-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO CCc1ccccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109514 592682647 /nfs/dbraw/zinc/68/26/47/592682647.db2.gz DALDFQIERLXOAI-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2coc(C3CC3)n2)c1 ZINC000890109188 592682726 /nfs/dbraw/zinc/68/27/26/592682726.db2.gz FTWYNVZFCQFVLP-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107652 592682728 /nfs/dbraw/zinc/68/27/28/592682728.db2.gz OREZFPHQXHISAG-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109251 592682953 /nfs/dbraw/zinc/68/29/53/592682953.db2.gz HXKYQOBJPZXCGX-KTKRTIGZSA-N 1 2 221.304 1.783 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CC(C)(C)C2)c1 ZINC000890108306 592683027 /nfs/dbraw/zinc/68/30/27/592683027.db2.gz XEROEFZKAKBIKP-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890109272 592683040 /nfs/dbraw/zinc/68/30/40/592683040.db2.gz ITOZSPVQEGEFMW-QMMMGPOBSA-N 1 2 227.333 1.178 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2ccccn2)c1 ZINC000890108152 592683408 /nfs/dbraw/zinc/68/34/08/592683408.db2.gz TUPIWOZMMRRNQV-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110818 592684672 /nfs/dbraw/zinc/68/46/72/592684672.db2.gz WBDQQAKKPMWLSA-VUUNSECVSA-N 1 2 233.315 1.783 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890116891 592685821 /nfs/dbraw/zinc/68/58/21/592685821.db2.gz CNOVVYIZWRKWRH-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000306109008 598102779 /nfs/dbraw/zinc/10/27/79/598102779.db2.gz VBUWETVOKXLLSB-HTAVTVPLSA-N 1 2 240.347 1.314 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000306109008 598102777 /nfs/dbraw/zinc/10/27/77/598102777.db2.gz VBUWETVOKXLLSB-HTAVTVPLSA-N 1 2 240.347 1.314 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981760462 635390992 /nfs/dbraw/zinc/39/09/92/635390992.db2.gz CRWDYAXPOISUFM-SNVBAGLBSA-N 1 2 234.290 1.238 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981760462 635390999 /nfs/dbraw/zinc/39/09/99/635390999.db2.gz CRWDYAXPOISUFM-SNVBAGLBSA-N 1 2 234.290 1.238 20 0 BDADLO Cc1cnc(Cl)c(C[N@H+](C)CCO)c1 ZINC000891446278 631318768 /nfs/dbraw/zinc/31/87/68/631318768.db2.gz VRBLZWUMCVXVIN-UHFFFAOYSA-N 1 2 214.696 1.468 20 0 BDADLO Cc1cnc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000891446278 631318775 /nfs/dbraw/zinc/31/87/75/631318775.db2.gz VRBLZWUMCVXVIN-UHFFFAOYSA-N 1 2 214.696 1.468 20 0 BDADLO CC/C=C(\C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000308758305 631564233 /nfs/dbraw/zinc/56/42/33/631564233.db2.gz RGFXZWGUAZGGQO-RUDMXATFSA-N 1 2 207.277 1.425 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]2CO)c1C ZINC000934026701 631604644 /nfs/dbraw/zinc/60/46/44/631604644.db2.gz POYJSSIJORKPIC-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H]2CO)c1C ZINC000934026701 631604647 /nfs/dbraw/zinc/60/46/47/631604647.db2.gz POYJSSIJORKPIC-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccncc1Cl ZINC000934018421 631618604 /nfs/dbraw/zinc/61/86/04/631618604.db2.gz XAUYWWNROSCIIA-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccncc1Cl ZINC000934018421 631618608 /nfs/dbraw/zinc/61/86/08/631618608.db2.gz XAUYWWNROSCIIA-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO Cc1cccc2nc(C[N@@H+]3CC[C@H]3CO)cn21 ZINC000934023412 631624649 /nfs/dbraw/zinc/62/46/49/631624649.db2.gz HLGFKLLZYHGHMJ-LBPRGKRZSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1cccc2nc(C[N@H+]3CC[C@H]3CO)cn21 ZINC000934023412 631624652 /nfs/dbraw/zinc/62/46/52/631624652.db2.gz HLGFKLLZYHGHMJ-LBPRGKRZSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCCNC1=O ZINC000924874003 635684607 /nfs/dbraw/zinc/68/46/07/635684607.db2.gz VHEDKVUAUZNJSB-NXEZZACHSA-N 1 2 249.314 1.229 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934395863 631821504 /nfs/dbraw/zinc/82/15/04/631821504.db2.gz MMIOQVRHNHVYGM-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO Fc1cccc(CC[NH+]2CCOCC2)c1 ZINC000218482189 631909235 /nfs/dbraw/zinc/90/92/35/631909235.db2.gz HSWKIUMEZCAAAN-UHFFFAOYSA-N 1 2 209.264 1.700 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000934562156 631923214 /nfs/dbraw/zinc/92/32/14/631923214.db2.gz YHGPQXZBWYULIU-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000934562156 631923218 /nfs/dbraw/zinc/92/32/18/631923218.db2.gz YHGPQXZBWYULIU-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cccs2)n1 ZINC000051860570 631972518 /nfs/dbraw/zinc/97/25/18/631972518.db2.gz CUNSZANNWQIBCM-UHFFFAOYSA-N 1 2 223.301 1.831 20 0 BDADLO CC(C)(C)OCCC[NH2+][C@@]1(C)CCOC1=O ZINC000309324961 632005410 /nfs/dbraw/zinc/00/54/10/632005410.db2.gz GHBHGPZCEJMCNP-LBPRGKRZSA-N 1 2 229.320 1.487 20 0 BDADLO C/C=C(\CC)C(=O)NCc1c[nH+]cn1C ZINC000291358819 632651442 /nfs/dbraw/zinc/65/14/42/632651442.db2.gz YBUXMYACTLSSLS-RUDMXATFSA-N 1 2 207.277 1.393 20 0 BDADLO CCC(CC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179518248 632740509 /nfs/dbraw/zinc/74/05/09/632740509.db2.gz RADZJNXJQXNFJF-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)C ZINC000179515680 632740959 /nfs/dbraw/zinc/74/09/59/632740959.db2.gz DHGUGRRJTJBPPF-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CNc1cc(NC[C@](C)(OC)C2CC2)[nH+]cn1 ZINC000310529626 632756948 /nfs/dbraw/zinc/75/69/48/632756948.db2.gz NTHUNETVUVRKIT-LBPRGKRZSA-N 1 2 236.319 1.745 20 0 BDADLO COCc1noc([C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000923778310 632804497 /nfs/dbraw/zinc/80/44/97/632804497.db2.gz YYFOUTOSKWEPNH-SNVBAGLBSA-N 1 2 237.303 1.905 20 0 BDADLO COCc1noc([C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000923778310 632804501 /nfs/dbraw/zinc/80/45/01/632804501.db2.gz YYFOUTOSKWEPNH-SNVBAGLBSA-N 1 2 237.303 1.905 20 0 BDADLO CCc1cc(N2CC(OC)C2)nc(CC)[nH+]1 ZINC000892500077 632805683 /nfs/dbraw/zinc/80/56/83/632805683.db2.gz HWSHQAOBMPNYLI-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000892515352 632869478 /nfs/dbraw/zinc/86/94/78/632869478.db2.gz OBHBDZJWQDRHTH-APPZFPTMSA-N 1 2 244.136 1.673 20 0 BDADLO CC[C@H](O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000162905887 633041907 /nfs/dbraw/zinc/04/19/07/633041907.db2.gz HEYVYNFLDOTURA-NSHDSACASA-N 1 2 235.291 1.008 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1cc(C)oc1C ZINC000163572779 633059409 /nfs/dbraw/zinc/05/94/09/633059409.db2.gz CDNQHEOMENHDNA-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cnn(C)n1 ZINC000926816829 633130873 /nfs/dbraw/zinc/13/08/73/633130873.db2.gz PMOIZDWFFVRUAH-VHSXEESVSA-N 1 2 246.318 1.197 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCC[C@@H]2O)[nH+]cn1 ZINC000892703453 633159285 /nfs/dbraw/zinc/15/92/85/633159285.db2.gz IBKCWNGWVVPFKG-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000892703453 633159289 /nfs/dbraw/zinc/15/92/89/633159289.db2.gz IBKCWNGWVVPFKG-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CCCS2)cc[nH+]1 ZINC000309559582 633199321 /nfs/dbraw/zinc/19/93/21/633199321.db2.gz NZFPYTJWQHOGSI-SECBINFHSA-N 1 2 238.312 1.603 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000895032962 636017785 /nfs/dbraw/zinc/01/77/85/636017785.db2.gz COVXHLWLZUDNOT-GFCCVEGCSA-N 1 2 239.315 1.560 20 0 BDADLO Cc1coc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000895032962 636017787 /nfs/dbraw/zinc/01/77/87/636017787.db2.gz COVXHLWLZUDNOT-GFCCVEGCSA-N 1 2 239.315 1.560 20 0 BDADLO C[C@H]1CCN(C(=O)CNc2cccc[nH+]2)CCO1 ZINC000928544455 636079177 /nfs/dbraw/zinc/07/91/77/636079177.db2.gz QUKHQGKJJFKIOZ-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000309832975 633816335 /nfs/dbraw/zinc/81/63/35/633816335.db2.gz ZCEYNGBIOJITLC-MRVPVSSYSA-N 1 2 219.292 1.302 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CC(C)(C)C ZINC000179516750 633857400 /nfs/dbraw/zinc/85/74/00/633857400.db2.gz SHCWYIBAIJBGRH-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCn1cnnc1SCc1cc[nH+]c(N)c1 ZINC000309266053 633879058 /nfs/dbraw/zinc/87/90/58/633879058.db2.gz JNCMHECMRMFSLZ-UHFFFAOYSA-N 1 2 235.316 1.568 20 0 BDADLO O=C1CCCN1CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000329293834 633946613 /nfs/dbraw/zinc/94/66/13/633946613.db2.gz OBMBPWNFHWTOLQ-NSHDSACASA-N 1 2 248.330 1.169 20 0 BDADLO O=C1CCCN1CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000329293834 633946620 /nfs/dbraw/zinc/94/66/20/633946620.db2.gz OBMBPWNFHWTOLQ-NSHDSACASA-N 1 2 248.330 1.169 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000309689433 633988511 /nfs/dbraw/zinc/98/85/11/633988511.db2.gz PEYBUENMKAOKOV-MNOVXSKESA-N 1 2 229.320 1.200 20 0 BDADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CC2)[nH]n1 ZINC000895599455 636163121 /nfs/dbraw/zinc/16/31/21/636163121.db2.gz KZEOUINULXKTAL-GFCCVEGCSA-N 1 2 248.330 1.316 20 0 BDADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CC2)[nH]n1 ZINC000895599455 636163123 /nfs/dbraw/zinc/16/31/23/636163123.db2.gz KZEOUINULXKTAL-GFCCVEGCSA-N 1 2 248.330 1.316 20 0 BDADLO CNc1cc(N2CCCOC(C)(C)C2)nc[nH+]1 ZINC000310371443 634134224 /nfs/dbraw/zinc/13/42/24/634134224.db2.gz XXVKGZAZZPNQEQ-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2CCCOC(C)(C)C2)[nH+]cn1 ZINC000310371443 634134231 /nfs/dbraw/zinc/13/42/31/634134231.db2.gz XXVKGZAZZPNQEQ-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC=CO1 ZINC000194001291 634302199 /nfs/dbraw/zinc/30/21/99/634302199.db2.gz NJURCRZPJONEJL-NSHDSACASA-N 1 2 247.360 1.046 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000194001291 634302201 /nfs/dbraw/zinc/30/22/01/634302201.db2.gz NJURCRZPJONEJL-NSHDSACASA-N 1 2 247.360 1.046 20 0 BDADLO C[NH+](C)[C@H](C(=O)O[C@@H]1CCOC1)c1ccccc1 ZINC000194929140 634339447 /nfs/dbraw/zinc/33/94/47/634339447.db2.gz MYVDWLMBFLFQDH-OLZOCXBDSA-N 1 2 249.310 1.621 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000336599591 635187659 /nfs/dbraw/zinc/18/76/59/635187659.db2.gz VCUZCNKAUPIVSW-UWVGGRQHSA-N 1 2 236.319 1.408 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094369929 635314610 /nfs/dbraw/zinc/31/46/10/635314610.db2.gz IAUZOSKSICJKLF-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO CNc1cc(NCCOCC2CC2)[nH+]cn1 ZINC000234494767 635553260 /nfs/dbraw/zinc/55/32/60/635553260.db2.gz SGJDDRGXRFEHOE-UHFFFAOYSA-N 1 2 222.292 1.357 20 0 BDADLO c1[nH+]cn2ccnc(N3C[C@@H]4C[C@H]3CS4)c12 ZINC000894171541 635738287 /nfs/dbraw/zinc/73/82/87/635738287.db2.gz NAWIEMOAUVHKDZ-IUCAKERBSA-N 1 2 232.312 1.423 20 0 BDADLO COCC1C[NH+](Cc2nc3c(s2)CCC3)C1 ZINC000895970142 636185520 /nfs/dbraw/zinc/18/55/20/636185520.db2.gz DDRCOZXQACIWAJ-UHFFFAOYSA-N 1 2 238.356 1.710 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CC2(F)F)[nH+]c1C ZINC000896910829 636253298 /nfs/dbraw/zinc/25/32/98/636253298.db2.gz ZKLMCXXGZUZMOI-ZETCQYMHSA-N 1 2 229.230 1.298 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@H](OC)C2)nc[nH+]1 ZINC000299961813 636805458 /nfs/dbraw/zinc/80/54/58/636805458.db2.gz AAINHHJAOCWABR-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@H](OC)C2)[nH+]cn1 ZINC000299961813 636805463 /nfs/dbraw/zinc/80/54/63/636805463.db2.gz AAINHHJAOCWABR-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC[C@H](C)F)c[nH+]1 ZINC000897854124 636838950 /nfs/dbraw/zinc/83/89/50/636838950.db2.gz YLZLVOSBRAEPDI-VIFPVBQESA-N 1 2 241.310 1.791 20 0 BDADLO CCCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046886866 636873259 /nfs/dbraw/zinc/87/32/59/636873259.db2.gz ISDTWNZXRFOALG-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@@](C)(CC)OC ZINC000322691439 636876966 /nfs/dbraw/zinc/87/69/66/636876966.db2.gz KVIWYBTVDAVOCT-GXSJLCMTSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1cc(Cc2noc([C@@H](C)[NH+](C)C)n2)no1 ZINC000923896150 637021994 /nfs/dbraw/zinc/02/19/94/637021994.db2.gz STQHKDQBXSAPHS-MRVPVSSYSA-N 1 2 236.275 1.579 20 0 BDADLO CC(C)(CNC(=O)Cc1ccoc1)n1cc[nH+]c1 ZINC000898907155 637063733 /nfs/dbraw/zinc/06/37/33/637063733.db2.gz UDPAMLUAADFUEA-UHFFFAOYSA-N 1 2 247.298 1.570 20 0 BDADLO CCC(F)(F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898911054 637065274 /nfs/dbraw/zinc/06/52/74/637065274.db2.gz HPTIKXVFNRWMCV-UHFFFAOYSA-N 1 2 245.273 1.780 20 0 BDADLO O=C(CCF)NCCc1cn2c([nH+]1)CCCC2 ZINC000900135610 637169768 /nfs/dbraw/zinc/16/97/68/637169768.db2.gz VTZIYPARBMTMAP-UHFFFAOYSA-N 1 2 239.294 1.238 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900546763 637190738 /nfs/dbraw/zinc/19/07/38/637190738.db2.gz GJHGTWBQMIVEIN-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000900946596 637206400 /nfs/dbraw/zinc/20/64/00/637206400.db2.gz OQBPUIWJEKUNCJ-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO CC1CC(NC(=O)CNc2cccc[nH+]2)C1 ZINC000900932727 637215364 /nfs/dbraw/zinc/21/53/64/637215364.db2.gz SOJKQWJDEGJLDK-UHFFFAOYSA-N 1 2 219.288 1.408 20 0 BDADLO CC[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901008149 637219016 /nfs/dbraw/zinc/21/90/16/637219016.db2.gz GKIUKEXVGCSBCL-LLVKDONJSA-N 1 2 233.315 1.752 20 0 BDADLO CC1CC(=O)N(CCCc2c[nH+]cn2C)C(=O)C1 ZINC000902309903 637293540 /nfs/dbraw/zinc/29/35/40/637293540.db2.gz BUQATWLGYDIMRU-UHFFFAOYSA-N 1 2 249.314 1.138 20 0 BDADLO Cc1n[nH]c(-c2ccc(C[NH+](C)C)s2)n1 ZINC000904864604 637513423 /nfs/dbraw/zinc/51/34/23/637513423.db2.gz MHPBQTBXXBCDFH-UHFFFAOYSA-N 1 2 222.317 1.903 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000905017350 637549556 /nfs/dbraw/zinc/54/95/56/637549556.db2.gz JNYRHXMSSOLUPH-UHFFFAOYSA-N 1 2 247.342 1.394 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)C/C=C\Cl ZINC000905186906 637668489 /nfs/dbraw/zinc/66/84/89/637668489.db2.gz GZLAKOIVDUVGRL-ZRMMWKCHSA-N 1 2 218.709 1.421 20 0 BDADLO NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000905161990 637674243 /nfs/dbraw/zinc/67/42/43/637674243.db2.gz YYYROKBSBXGMJR-MGCOHNPYSA-N 1 2 234.303 1.473 20 0 BDADLO CCCNc1cc(N[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000323686981 637891181 /nfs/dbraw/zinc/89/11/81/637891181.db2.gz HYIXQQVMSJRJEQ-NXEZZACHSA-N 1 2 236.319 1.624 20 0 BDADLO CCCNc1cc(N[C@@H]2CCC[C@H]2O)[nH+]cn1 ZINC000323686981 637891184 /nfs/dbraw/zinc/89/11/84/637891184.db2.gz HYIXQQVMSJRJEQ-NXEZZACHSA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H](C)CSC)C(=O)OC ZINC000905762191 637917216 /nfs/dbraw/zinc/91/72/16/637917216.db2.gz RPGIGFCQHDWCER-GUBZILKMSA-N 1 2 233.377 1.915 20 0 BDADLO O=[S@](CCn1cc[nH+]c1)C(F)(F)F ZINC000905875504 637959057 /nfs/dbraw/zinc/95/90/57/637959057.db2.gz PTWPXPNNMPPNSN-CYBMUJFWSA-N 1 2 212.196 1.152 20 0 BDADLO O=[S@](CC[NH+]1CCSCC1)C(F)(F)F ZINC000905911623 637984206 /nfs/dbraw/zinc/98/42/06/637984206.db2.gz UYQUASWXAJVSSS-CQSZACIVSA-N 1 2 247.307 1.304 20 0 BDADLO COC1C[NH+](C[C@H](O)c2cccc(C)c2)C1 ZINC000905948344 637994910 /nfs/dbraw/zinc/99/49/10/637994910.db2.gz DHSSBOHJGLYPNJ-ZDUSSCGKSA-N 1 2 221.300 1.359 20 0 BDADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@H]2C)nn1 ZINC000906272928 638124320 /nfs/dbraw/zinc/12/43/20/638124320.db2.gz QHAVHQGCYXIQHB-SNVBAGLBSA-N 1 2 236.319 1.242 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@H]2C)nn1 ZINC000906272928 638124324 /nfs/dbraw/zinc/12/43/24/638124324.db2.gz QHAVHQGCYXIQHB-SNVBAGLBSA-N 1 2 236.319 1.242 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000906660318 638233344 /nfs/dbraw/zinc/23/33/44/638233344.db2.gz ICUDZIPQJIIPJY-ZYHUDNBSSA-N 1 2 234.299 1.566 20 0 BDADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000906883914 638269176 /nfs/dbraw/zinc/26/91/76/638269176.db2.gz UEIIVFYIRZIPNL-BKDNQFJXSA-N 1 2 237.303 1.005 20 0 BDADLO CCC(=O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907171328 638309185 /nfs/dbraw/zinc/30/91/85/638309185.db2.gz PTYLHZWSLPFXPO-UHFFFAOYSA-N 1 2 234.299 1.716 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)CNc1cccc[nH+]1 ZINC000907328758 638356851 /nfs/dbraw/zinc/35/68/51/638356851.db2.gz WFCQGKHDVRBTIX-GXFFZTMASA-N 1 2 249.314 1.177 20 0 BDADLO C/C(=C(\F)C(=O)NC1C[NH+](C(C)C)C1)C1CC1 ZINC000907515176 638399441 /nfs/dbraw/zinc/39/94/41/638399441.db2.gz LEILTPKXTDLAQD-FMIVXFBMSA-N 1 2 240.322 1.849 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907676362 638442307 /nfs/dbraw/zinc/44/23/07/638442307.db2.gz LPXWSXGXZXKXDB-VWYCJHECSA-N 1 2 235.331 1.845 20 0 BDADLO CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000907859044 638488528 /nfs/dbraw/zinc/48/85/28/638488528.db2.gz HVWZVTXAFQXMIH-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO Cc1cccc(CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000907862288 638491844 /nfs/dbraw/zinc/49/18/44/638491844.db2.gz PDVILKZQZJMXCZ-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(C)[nH+]1 ZINC000907908666 638508264 /nfs/dbraw/zinc/50/82/64/638508264.db2.gz VATFUCMTRYKOFV-PJXYFTJBSA-N 1 2 246.310 1.381 20 0 BDADLO C[C@H]1CCC[C@H](C)N1NC(=O)Cc1[nH]cc[nH+]1 ZINC000907990356 638539056 /nfs/dbraw/zinc/53/90/56/638539056.db2.gz WTOJBODEGSDAGK-UWVGGRQHSA-N 1 2 236.319 1.246 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1NC(=O)Cc1[nH]cc[nH+]1 ZINC000907990355 638539453 /nfs/dbraw/zinc/53/94/53/638539453.db2.gz WTOJBODEGSDAGK-NXEZZACHSA-N 1 2 236.319 1.246 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)CCCO)c(C)[nH+]1 ZINC000908003867 638543554 /nfs/dbraw/zinc/54/35/54/638543554.db2.gz JJLYEGIAMRICLU-UHFFFAOYSA-N 1 2 236.315 1.461 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](C1CC1)C(F)(F)F ZINC000908234874 638621975 /nfs/dbraw/zinc/62/19/75/638621975.db2.gz XOCSKQHOQSUFFX-VIFPVBQESA-N 1 2 247.220 1.409 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]1C(F)(F)F ZINC000908278372 638631481 /nfs/dbraw/zinc/63/14/81/638631481.db2.gz NPQOSOQKEJRTAM-ZETCQYMHSA-N 1 2 233.193 1.115 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000908288211 638635036 /nfs/dbraw/zinc/63/50/36/638635036.db2.gz AXSVLOPBDRDNJH-ZJUUUORDSA-N 1 2 237.303 1.033 20 0 BDADLO CC(C)C1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000908427854 638706046 /nfs/dbraw/zinc/70/60/46/638706046.db2.gz SJIRDRSLOLOVJK-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757837 639061693 /nfs/dbraw/zinc/06/16/93/639061693.db2.gz CYFNOEKEFSMSEN-CDETVPHDSA-N 1 2 225.679 1.067 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CC12CC2 ZINC000911290336 639613351 /nfs/dbraw/zinc/61/33/51/639613351.db2.gz KRPUIOHPUVSLHC-VIFPVBQESA-N 1 2 217.272 1.162 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(CC(F)F)C1 ZINC000911307711 639616686 /nfs/dbraw/zinc/61/66/86/639616686.db2.gz IORACAPJRAVEJZ-UHFFFAOYSA-N 1 2 229.230 1.066 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930223475 639643656 /nfs/dbraw/zinc/64/36/56/639643656.db2.gz XXTUDYJGLZTTEI-FDYHWXHSSA-N 1 2 247.342 1.682 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930267259 639670071 /nfs/dbraw/zinc/67/00/71/639670071.db2.gz GOABPMWHHXPIJX-VHSXEESVSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930267259 639670077 /nfs/dbraw/zinc/67/00/77/639670077.db2.gz GOABPMWHHXPIJX-VHSXEESVSA-N 1 2 241.360 1.664 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)N(C3CC3)C2)c1 ZINC000930270228 639673061 /nfs/dbraw/zinc/67/30/61/639673061.db2.gz LWXIQHFTQBYGLH-UHFFFAOYSA-N 1 2 245.326 1.463 20 0 BDADLO CCCCNC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044138958 639694888 /nfs/dbraw/zinc/69/48/88/639694888.db2.gz KBTOFCYRVLIHIN-JTQLQIEISA-N 1 2 240.376 1.536 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCOC[C@]12CCOC2 ZINC000930327848 639709970 /nfs/dbraw/zinc/70/99/70/639709970.db2.gz LWIZPBPFRVMQOS-ACDNVWSCSA-N 1 2 241.331 1.070 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCOC[C@]12CCOC2 ZINC000930327848 639709978 /nfs/dbraw/zinc/70/99/78/639709978.db2.gz LWIZPBPFRVMQOS-ACDNVWSCSA-N 1 2 241.331 1.070 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1noc2c1COCC2 ZINC000930581917 639814024 /nfs/dbraw/zinc/81/40/24/639814024.db2.gz KANVJHFIVMKBLC-DTWKUNHWSA-N 1 2 222.288 1.588 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1noc2c1COCC2 ZINC000930581917 639814025 /nfs/dbraw/zinc/81/40/25/639814025.db2.gz KANVJHFIVMKBLC-DTWKUNHWSA-N 1 2 222.288 1.588 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000930596894 639816000 /nfs/dbraw/zinc/81/60/00/639816000.db2.gz YSWHPXJSEJVDOL-TXNVCOODSA-N 1 2 229.295 1.930 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@@](C)(F)C1 ZINC000930596894 639816001 /nfs/dbraw/zinc/81/60/01/639816001.db2.gz YSWHPXJSEJVDOL-TXNVCOODSA-N 1 2 229.295 1.930 20 0 BDADLO C[C@@H]([N@H+](C)Cc1nncs1)C(C)(C)O ZINC000930613605 639822814 /nfs/dbraw/zinc/82/28/14/639822814.db2.gz JPKOFENHUJLMJJ-SSDOTTSWSA-N 1 2 215.322 1.129 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1nncs1)C(C)(C)O ZINC000930613605 639822815 /nfs/dbraw/zinc/82/28/15/639822815.db2.gz JPKOFENHUJLMJJ-SSDOTTSWSA-N 1 2 215.322 1.129 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2CF)CC(=O)N1 ZINC000930639042 639836911 /nfs/dbraw/zinc/83/69/11/639836911.db2.gz DWCKHVVIOUDDOI-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2CF)CC(=O)N1 ZINC000930639042 639836915 /nfs/dbraw/zinc/83/69/15/639836915.db2.gz DWCKHVVIOUDDOI-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930695895 639864845 /nfs/dbraw/zinc/86/48/45/639864845.db2.gz CBMPOEKTQZHVFY-JTQLQIEISA-N 1 2 241.360 1.929 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930695895 639864846 /nfs/dbraw/zinc/86/48/46/639864846.db2.gz CBMPOEKTQZHVFY-JTQLQIEISA-N 1 2 241.360 1.929 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000930705594 639870800 /nfs/dbraw/zinc/87/08/00/639870800.db2.gz VWSVCQQSJODGQQ-WYUUTHIRSA-N 1 2 243.347 1.731 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC1(C2CCC2)CC1 ZINC000911896092 639873603 /nfs/dbraw/zinc/87/36/03/639873603.db2.gz AICQUWSMZJPTJL-UHFFFAOYSA-N 1 2 245.326 1.942 20 0 BDADLO COC[C@@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C(C)C ZINC000930761021 639899122 /nfs/dbraw/zinc/89/91/22/639899122.db2.gz ZPTKULVVXYWXFS-SECBINFHSA-N 1 2 243.307 1.126 20 0 BDADLO COC[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C(C)C ZINC000930761021 639899126 /nfs/dbraw/zinc/89/91/26/639899126.db2.gz ZPTKULVVXYWXFS-SECBINFHSA-N 1 2 243.307 1.126 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000930821875 639922317 /nfs/dbraw/zinc/92/23/17/639922317.db2.gz XBLFTNJIGVZLAF-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000930821875 639922325 /nfs/dbraw/zinc/92/23/25/639922325.db2.gz XBLFTNJIGVZLAF-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cncc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1 ZINC000930836479 639934729 /nfs/dbraw/zinc/93/47/29/639934729.db2.gz HMANPVIFGKKWBE-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cncc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1 ZINC000930836479 639934733 /nfs/dbraw/zinc/93/47/33/639934733.db2.gz HMANPVIFGKKWBE-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@@H](O)CCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930874439 639964366 /nfs/dbraw/zinc/96/43/66/639964366.db2.gz PVDSFDAQMVATCE-SKDRFNHKSA-N 1 2 229.320 1.221 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000930889206 639968372 /nfs/dbraw/zinc/96/83/72/639968372.db2.gz KANZOAGICWTOMR-MBACFSSFSA-N 1 2 239.319 1.964 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000930889206 639968377 /nfs/dbraw/zinc/96/83/77/639968377.db2.gz KANZOAGICWTOMR-MBACFSSFSA-N 1 2 239.319 1.964 20 0 BDADLO C[C@]12COC[C@H]1C[N@H+](Cc1nncs1)C2 ZINC000931019839 640023187 /nfs/dbraw/zinc/02/31/87/640023187.db2.gz NHVVSVGEXNXQIF-SCZZXKLOSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@]12COC[C@H]1C[N@@H+](Cc1nncs1)C2 ZINC000931019839 640023191 /nfs/dbraw/zinc/02/31/91/640023191.db2.gz NHVVSVGEXNXQIF-SCZZXKLOSA-N 1 2 225.317 1.006 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccccc2CF)CCO1 ZINC000931035730 640029358 /nfs/dbraw/zinc/02/93/58/640029358.db2.gz UJKRBVBUKIYNKF-ZDUSSCGKSA-N 1 2 239.290 1.961 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccccc2CF)CCO1 ZINC000931035730 640029362 /nfs/dbraw/zinc/02/93/62/640029362.db2.gz UJKRBVBUKIYNKF-ZDUSSCGKSA-N 1 2 239.290 1.961 20 0 BDADLO CC[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912382004 640036066 /nfs/dbraw/zinc/03/60/66/640036066.db2.gz AVKSJFZELZOPGJ-SECBINFHSA-N 1 2 209.293 1.505 20 0 BDADLO CC1(C)CC[C@@H](CO)[N@H+](Cc2nncs2)C1 ZINC000931102413 640066133 /nfs/dbraw/zinc/06/61/33/640066133.db2.gz FQFYSFLNLWIDNF-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2nncs2)C1 ZINC000931102413 640066137 /nfs/dbraw/zinc/06/61/37/640066137.db2.gz FQFYSFLNLWIDNF-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](CC12CCC(CC1)C2)C1CS(=O)(=O)C1 ZINC000931235507 640107374 /nfs/dbraw/zinc/10/73/74/640107374.db2.gz FGPHYXUIJSBJST-UHFFFAOYSA-N 1 2 243.372 1.296 20 0 BDADLO C[N@@H+](CC12CCC(CC1)C2)C1CS(=O)(=O)C1 ZINC000931235507 640107377 /nfs/dbraw/zinc/10/73/77/640107377.db2.gz FGPHYXUIJSBJST-UHFFFAOYSA-N 1 2 243.372 1.296 20 0 BDADLO FCC[C@@H]1C[N@H+](CCc2ccns2)CCO1 ZINC000931260637 640120784 /nfs/dbraw/zinc/12/07/84/640120784.db2.gz XOZVUJGXYSCBCS-SNVBAGLBSA-N 1 2 244.335 1.746 20 0 BDADLO FCC[C@@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC000931260637 640120789 /nfs/dbraw/zinc/12/07/89/640120789.db2.gz XOZVUJGXYSCBCS-SNVBAGLBSA-N 1 2 244.335 1.746 20 0 BDADLO FCC[C@H]1C[N@H+](CCc2ccns2)CCO1 ZINC000931260636 640122400 /nfs/dbraw/zinc/12/24/00/640122400.db2.gz XOZVUJGXYSCBCS-JTQLQIEISA-N 1 2 244.335 1.746 20 0 BDADLO FCC[C@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC000931260636 640122403 /nfs/dbraw/zinc/12/24/03/640122403.db2.gz XOZVUJGXYSCBCS-JTQLQIEISA-N 1 2 244.335 1.746 20 0 BDADLO COC/C(C)=C\C[NH+]1CCN(CCCF)CC1 ZINC000931292860 640137839 /nfs/dbraw/zinc/13/78/39/640137839.db2.gz GXRUNDBARDPGTR-PQMHYQBVSA-N 1 2 244.354 1.556 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931460509 640216112 /nfs/dbraw/zinc/21/61/12/640216112.db2.gz YDDIWHWBBMOSRG-FWAPLPHYSA-N 1 2 249.314 1.448 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931460509 640216117 /nfs/dbraw/zinc/21/61/17/640216117.db2.gz YDDIWHWBBMOSRG-FWAPLPHYSA-N 1 2 249.314 1.448 20 0 BDADLO CO[C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931561001 640275494 /nfs/dbraw/zinc/27/54/94/640275494.db2.gz ZEECBYRQONZBDV-SECBINFHSA-N 1 2 247.298 1.718 20 0 BDADLO C/C=C\CNC(=O)CNc1cccc[nH+]1 ZINC000913166378 640315877 /nfs/dbraw/zinc/31/58/77/640315877.db2.gz OBOYOEMNWLZKEZ-IHWYPQMZSA-N 1 2 205.261 1.186 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)co1 ZINC000931697597 640320719 /nfs/dbraw/zinc/32/07/19/640320719.db2.gz IIJIUJPVNOYAQP-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)co1 ZINC000931697597 640320728 /nfs/dbraw/zinc/32/07/28/640320728.db2.gz IIJIUJPVNOYAQP-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)co1 ZINC000931697600 640321129 /nfs/dbraw/zinc/32/11/29/640321129.db2.gz IIJIUJPVNOYAQP-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)co1 ZINC000931697600 640321133 /nfs/dbraw/zinc/32/11/33/640321133.db2.gz IIJIUJPVNOYAQP-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO Fc1cncc(F)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000931711043 640332004 /nfs/dbraw/zinc/33/20/04/640332004.db2.gz YHAWXIOOZVYHES-OCAPTIKFSA-N 1 2 210.227 1.812 20 0 BDADLO Fc1cncc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000931711043 640332008 /nfs/dbraw/zinc/33/20/08/640332008.db2.gz YHAWXIOOZVYHES-OCAPTIKFSA-N 1 2 210.227 1.812 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CC)CO)C(=O)OC(C)(C)C ZINC000931775062 640369235 /nfs/dbraw/zinc/36/92/35/640369235.db2.gz QJBQUCMFLKIMMY-VHSXEESVSA-N 1 2 231.336 1.467 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3c[nH]cn3)C2)no1 ZINC000931936262 640395399 /nfs/dbraw/zinc/39/53/99/640395399.db2.gz NBMBKXFVGJPLNK-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3c[nH]cn3)C2)no1 ZINC000931936262 640395408 /nfs/dbraw/zinc/39/54/08/640395408.db2.gz NBMBKXFVGJPLNK-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c(c2)OCO3)c[nH]1 ZINC000054763529 640405882 /nfs/dbraw/zinc/40/58/82/640405882.db2.gz MUCUPYJCNNAQLE-UHFFFAOYSA-N 1 2 231.255 1.428 20 0 BDADLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCOC1 ZINC000932201664 640452834 /nfs/dbraw/zinc/45/28/34/640452834.db2.gz QJBKDKQBKVWLDG-JTQLQIEISA-N 1 2 245.282 1.424 20 0 BDADLO Cn1cncc1C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932268383 640467207 /nfs/dbraw/zinc/46/72/07/640467207.db2.gz MXTFUKYGUMHBHW-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cncc1C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932268383 640467212 /nfs/dbraw/zinc/46/72/12/640467212.db2.gz MXTFUKYGUMHBHW-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932346529 640475855 /nfs/dbraw/zinc/47/58/55/640475855.db2.gz VKZIOOVQSHYNLM-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932346529 640475858 /nfs/dbraw/zinc/47/58/58/640475858.db2.gz VKZIOOVQSHYNLM-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO COCc1nc(C[NH2+][C@@H](C)C(C)(C)OC)no1 ZINC000932371507 640500335 /nfs/dbraw/zinc/50/03/35/640500335.db2.gz ZYUYYIFRRFVQBN-QMMMGPOBSA-N 1 2 243.307 1.119 20 0 BDADLO CC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000156970171 640520508 /nfs/dbraw/zinc/52/05/08/640520508.db2.gz DYYDOYRNIQWRJM-SNVBAGLBSA-N 1 2 215.293 1.237 20 0 BDADLO CC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000156970171 640520516 /nfs/dbraw/zinc/52/05/16/640520516.db2.gz DYYDOYRNIQWRJM-SNVBAGLBSA-N 1 2 215.293 1.237 20 0 BDADLO C[C@@H]1COC[C@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000932489841 640554874 /nfs/dbraw/zinc/55/48/74/640554874.db2.gz SQTIUSWKROZBRC-PSASIEDQSA-N 1 2 237.303 1.462 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2COC[C@H]2C)no1 ZINC000932497023 640558882 /nfs/dbraw/zinc/55/88/82/640558882.db2.gz GSQIEZCPGJSBGP-BDAKNGLRSA-N 1 2 225.292 1.147 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2COC[C@@H]2C)no1 ZINC000932499122 640560978 /nfs/dbraw/zinc/56/09/78/640560978.db2.gz IKKAZVSNBSOZCP-IUCAKERBSA-N 1 2 225.292 1.318 20 0 BDADLO Cc1cc(NC(=O)CC2(C)COC2)cc[nH+]1 ZINC000932606967 640583872 /nfs/dbraw/zinc/58/38/72/640583872.db2.gz NLUGNQIOLBPYBA-UHFFFAOYSA-N 1 2 220.272 1.177 20 0 BDADLO CO[C@H](C[N@@H+]1CC(=O)CC[C@H]1C)[C@@H]1CCOC1 ZINC000932880149 640638858 /nfs/dbraw/zinc/63/88/58/640638858.db2.gz WRZBFJTWXFJGAW-NQBHXWOUSA-N 1 2 241.331 1.091 20 0 BDADLO CO[C@H](C[N@H+]1CC(=O)CC[C@H]1C)[C@@H]1CCOC1 ZINC000932880149 640638862 /nfs/dbraw/zinc/63/88/62/640638862.db2.gz WRZBFJTWXFJGAW-NQBHXWOUSA-N 1 2 241.331 1.091 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000157381116 640671411 /nfs/dbraw/zinc/67/14/11/640671411.db2.gz RWDAELJMSPFNJO-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000157381116 640671414 /nfs/dbraw/zinc/67/14/14/640671414.db2.gz RWDAELJMSPFNJO-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO Cc1[nH]ccc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030204674 640683073 /nfs/dbraw/zinc/68/30/73/640683073.db2.gz DILHAKRRDFONCV-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CC1(C)C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030228377 640696939 /nfs/dbraw/zinc/69/69/39/640696939.db2.gz APEURFFCMZZFHW-JTQLQIEISA-N 1 2 228.311 1.193 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2sccc2F)C1 ZINC001030279432 640728188 /nfs/dbraw/zinc/72/81/88/640728188.db2.gz OLKCLPUKLWBXPL-UHFFFAOYSA-N 1 2 242.319 1.711 20 0 BDADLO FCC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933675558 640742100 /nfs/dbraw/zinc/74/21/00/640742100.db2.gz PIWVCZGTSKBBFH-WDEREUQCSA-N 1 2 217.284 1.083 20 0 BDADLO FCC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933675558 640742103 /nfs/dbraw/zinc/74/21/03/640742103.db2.gz PIWVCZGTSKBBFH-WDEREUQCSA-N 1 2 217.284 1.083 20 0 BDADLO CNC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046467444 640771100 /nfs/dbraw/zinc/77/11/00/640771100.db2.gz FPDNXAQAVQDPBZ-VIFPVBQESA-N 1 2 224.308 1.227 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933870167 640776761 /nfs/dbraw/zinc/77/67/61/640776761.db2.gz IOJLKVVGDZDEOM-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCOC12CCCCC2 ZINC000933875082 640779480 /nfs/dbraw/zinc/77/94/80/640779480.db2.gz MQCHIUYMJMOJOP-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933970485 640799975 /nfs/dbraw/zinc/79/99/75/640799975.db2.gz JTRMJDMZABNYER-QWHCGFSZSA-N 1 2 234.299 1.071 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933970485 640799978 /nfs/dbraw/zinc/79/99/78/640799978.db2.gz JTRMJDMZABNYER-QWHCGFSZSA-N 1 2 234.299 1.071 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2C(F)F)C1 ZINC001030432993 640856290 /nfs/dbraw/zinc/85/62/90/640856290.db2.gz UKLKTRKMYVRZAV-VHSXEESVSA-N 1 2 246.301 1.488 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2C(F)F)C1 ZINC001030432994 640856354 /nfs/dbraw/zinc/85/63/54/640856354.db2.gz UKLKTRKMYVRZAV-ZJUUUORDSA-N 1 2 246.301 1.488 20 0 BDADLO COC(C[NH2+][C@H](C)c1cscn1)OC ZINC000229124140 640924134 /nfs/dbraw/zinc/92/41/34/640924134.db2.gz QWKSLQGXFJHNLM-SSDOTTSWSA-N 1 2 216.306 1.413 20 0 BDADLO Cc1cccc2c1CC[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000170922297 640940465 /nfs/dbraw/zinc/94/04/65/640940465.db2.gz ZEMHRXVRCMFXEP-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1cccc2c1CC[N@H+]([C@@H]1CCOC1=O)C2 ZINC000170922297 640940467 /nfs/dbraw/zinc/94/04/67/640940467.db2.gz ZEMHRXVRCMFXEP-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO CCCNc1cc(NCC[S@](C)=O)[nH+]cn1 ZINC000229300258 640943359 /nfs/dbraw/zinc/94/33/59/640943359.db2.gz ASUYEYVIGVENDD-INIZCTEOSA-N 1 2 242.348 1.089 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3cnccc3o2)C1 ZINC001030618092 640968619 /nfs/dbraw/zinc/96/86/19/640968619.db2.gz XNLCIRDZAXOTHL-UHFFFAOYSA-N 1 2 245.282 1.262 20 0 BDADLO CCCNc1cc(N(C)C[C@@H](C)O)nc[nH+]1 ZINC000087826824 641059524 /nfs/dbraw/zinc/05/95/24/641059524.db2.gz CMNZHIRMYLPJGB-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CCCNc1cc(N(C)C[C@@H](C)O)[nH+]cn1 ZINC000087826824 641059528 /nfs/dbraw/zinc/05/95/28/641059528.db2.gz CMNZHIRMYLPJGB-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1[nH]ncc1C ZINC000934105619 641068972 /nfs/dbraw/zinc/06/89/72/641068972.db2.gz PMHUCRKJKOAYCM-GHMZBOCLSA-N 1 2 209.293 1.327 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1[nH]ncc1C ZINC000934105619 641068977 /nfs/dbraw/zinc/06/89/77/641068977.db2.gz PMHUCRKJKOAYCM-GHMZBOCLSA-N 1 2 209.293 1.327 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934234303 641110929 /nfs/dbraw/zinc/11/09/29/641110929.db2.gz KMRWDTCWXGWHCO-ZJUUUORDSA-N 1 2 222.288 1.164 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)n1 ZINC000934335184 641126872 /nfs/dbraw/zinc/12/68/72/641126872.db2.gz YFXVNYLKCHOJDQ-JTQLQIEISA-N 1 2 248.355 1.931 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)n1 ZINC000934335184 641126874 /nfs/dbraw/zinc/12/68/74/641126874.db2.gz YFXVNYLKCHOJDQ-JTQLQIEISA-N 1 2 248.355 1.931 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCOC12CCCC2)C(=O)OC ZINC000934390914 641138160 /nfs/dbraw/zinc/13/81/60/641138160.db2.gz LFKKAEXINQBEBG-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO CCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000050449379 641152425 /nfs/dbraw/zinc/15/24/25/641152425.db2.gz BOIRFYXTSBLJTC-UHFFFAOYSA-N 1 2 222.288 1.733 20 0 BDADLO CC[N@H+](CC[NH3+])CCc1cccc(F)c1 ZINC000231819448 641206895 /nfs/dbraw/zinc/20/68/95/641206895.db2.gz MYBHVESELHSNNZ-UHFFFAOYSA-N 1 2 210.296 1.649 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCc3cccnc32)on1 ZINC000231883194 641212674 /nfs/dbraw/zinc/21/26/74/641212674.db2.gz KKHSWICPLBBLEI-LLVKDONJSA-N 1 2 215.256 1.847 20 0 BDADLO CSCC(C)(C)[NH2+]CC(=O)OCC(C)C ZINC000934666432 641239928 /nfs/dbraw/zinc/23/99/28/641239928.db2.gz GHPOOZBMMLJPPX-UHFFFAOYSA-N 1 2 233.377 1.917 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)onc2C2CC2)C1 ZINC001030691458 641245123 /nfs/dbraw/zinc/24/51/23/641245123.db2.gz ZKHYFPCFXXESRB-UHFFFAOYSA-N 1 2 249.314 1.294 20 0 BDADLO COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CC(C)C ZINC000934711613 641252979 /nfs/dbraw/zinc/25/29/79/641252979.db2.gz TZKDNQMDLMAYDR-GFCCVEGCSA-N 1 2 239.319 1.060 20 0 BDADLO CC[C@@H]([NH3+])c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232349043 641264680 /nfs/dbraw/zinc/26/46/80/641264680.db2.gz PZKYXUBEBNMHEH-MRVPVSSYSA-N 1 2 237.234 1.991 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)no1 ZINC000934774561 641267515 /nfs/dbraw/zinc/26/75/15/641267515.db2.gz CYERCFFSIFVZAA-KOLCDFICSA-N 1 2 239.344 1.563 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)no1 ZINC000934774561 641267518 /nfs/dbraw/zinc/26/75/18/641267518.db2.gz CYERCFFSIFVZAA-KOLCDFICSA-N 1 2 239.344 1.563 20 0 BDADLO C[C@@H](CCO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934802908 641277183 /nfs/dbraw/zinc/27/71/83/641277183.db2.gz VAERRRMLWKYVCK-VIFPVBQESA-N 1 2 247.298 1.311 20 0 BDADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(F)F ZINC000232502526 641286608 /nfs/dbraw/zinc/28/66/08/641286608.db2.gz XEAPONRTIIPRGU-QMMMGPOBSA-N 1 2 245.273 1.679 20 0 BDADLO CC[C@@](C)(OC)c1noc([C@H](C)[NH+](C)C)n1 ZINC000350431321 641326926 /nfs/dbraw/zinc/32/69/26/641326926.db2.gz GUEGHBNVNHRZLD-GZMMTYOYSA-N 1 2 227.308 1.964 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C(C)C)on2)C1 ZINC001030754822 641335448 /nfs/dbraw/zinc/33/54/48/641335448.db2.gz JIQZXWIQKIETOX-UHFFFAOYSA-N 1 2 237.303 1.232 20 0 BDADLO CCN(CCCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935094075 641336777 /nfs/dbraw/zinc/33/67/77/641336777.db2.gz FXGYHZRQCABUQR-UHFFFAOYSA-N 1 2 247.298 1.407 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001030806122 641360065 /nfs/dbraw/zinc/36/00/65/641360065.db2.gz VXICQPAUKIAFQV-NSHDSACASA-N 1 2 224.348 1.633 20 0 BDADLO C[C@@H](c1nc([C@@H]2CCCO2)no1)[NH+](C)C ZINC000350599443 641373310 /nfs/dbraw/zinc/37/33/10/641373310.db2.gz QBENQFCLRJWWSW-YUMQZZPRSA-N 1 2 211.265 1.544 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000929611869 641375916 /nfs/dbraw/zinc/37/59/16/641375916.db2.gz QFJQTDUUCZJSOP-BXKDBHETSA-N 1 2 245.282 1.845 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CC[C@@H](F)C1 ZINC001030850473 641382925 /nfs/dbraw/zinc/38/29/25/641382925.db2.gz GTHDVXHTXPOBKL-NXEZZACHSA-N 1 2 246.301 1.285 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)C=CCC1 ZINC000935331999 641387492 /nfs/dbraw/zinc/38/74/92/641387492.db2.gz VNKKZUDUUUGQHI-ZDUSSCGKSA-N 1 2 233.315 1.435 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cnns1 ZINC000935526910 641422241 /nfs/dbraw/zinc/42/22/41/641422241.db2.gz IANYSKRUVHGFMK-MRVPVSSYSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cnns1 ZINC000935526910 641422245 /nfs/dbraw/zinc/42/22/45/641422245.db2.gz IANYSKRUVHGFMK-MRVPVSSYSA-N 1 2 240.332 1.349 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000935755635 641475696 /nfs/dbraw/zinc/47/56/96/641475696.db2.gz HTKGWHHVMONXRR-NXEZZACHSA-N 1 2 231.255 1.308 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@]12C[C@H]1CCC2 ZINC000935922240 641502012 /nfs/dbraw/zinc/50/20/12/641502012.db2.gz ADODBYRKMRZMGM-UHIISALHSA-N 1 2 245.326 1.504 20 0 BDADLO CO[C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935966664 641508467 /nfs/dbraw/zinc/50/84/67/641508467.db2.gz ORVUGSFZVGSECV-SECBINFHSA-N 1 2 247.298 1.670 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000936024628 641518997 /nfs/dbraw/zinc/51/89/97/641518997.db2.gz OYZJSALIQBPWOD-BXKDBHETSA-N 1 2 219.288 1.227 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000041121297 641542234 /nfs/dbraw/zinc/54/22/34/641542234.db2.gz IDKQZONBROUGJU-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO OCCCCCC[N@@H+]1CCC(F)(F)C1 ZINC000313311536 641553878 /nfs/dbraw/zinc/55/38/78/641553878.db2.gz ZAJOZPFPARYVNH-UHFFFAOYSA-N 1 2 207.264 1.880 20 0 BDADLO OCCCCCC[N@H+]1CCC(F)(F)C1 ZINC000313311536 641553884 /nfs/dbraw/zinc/55/38/84/641553884.db2.gz ZAJOZPFPARYVNH-UHFFFAOYSA-N 1 2 207.264 1.880 20 0 BDADLO C[C@@H](c1nc(Cc2cnccn2)no1)[NH+](C)C ZINC000350969077 641577222 /nfs/dbraw/zinc/57/72/22/641577222.db2.gz NADHVOHJPNXLES-QMMMGPOBSA-N 1 2 233.275 1.073 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cnoc2CC)C1 ZINC001031032218 641602260 /nfs/dbraw/zinc/60/22/60/641602260.db2.gz PGNIXCAFMASCAH-UHFFFAOYSA-N 1 2 237.303 1.061 20 0 BDADLO CC[NH2+][C@@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000158460023 641635405 /nfs/dbraw/zinc/63/54/05/641635405.db2.gz LSBQYUILPFWVGD-ZDUSSCGKSA-N 1 2 239.290 1.909 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001031044507 641640174 /nfs/dbraw/zinc/64/01/74/641640174.db2.gz ZQHRQMNXQIKNDK-UWVGGRQHSA-N 1 2 210.321 1.243 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914432771 641702458 /nfs/dbraw/zinc/70/24/58/641702458.db2.gz DNAQWVDZKBJQGJ-VXGBXAGGSA-N 1 2 221.304 1.233 20 0 BDADLO CCCC[C@H]1NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000049227347 641712834 /nfs/dbraw/zinc/71/28/34/641712834.db2.gz SWKKDPTUCKGLOI-SNVBAGLBSA-N 1 2 239.319 1.149 20 0 BDADLO CCCC[C@H]1NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000049227347 641712837 /nfs/dbraw/zinc/71/28/37/641712837.db2.gz SWKKDPTUCKGLOI-SNVBAGLBSA-N 1 2 239.319 1.149 20 0 BDADLO CCCCSCC(=O)NCCn1cc[nH+]c1 ZINC000914464896 641716298 /nfs/dbraw/zinc/71/62/98/641716298.db2.gz VCBVHPQRSPYOPA-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000187916434 641733639 /nfs/dbraw/zinc/73/36/39/641733639.db2.gz JNWPFFQXHOQCGQ-VHSXEESVSA-N 1 2 231.361 1.669 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031168780 641765817 /nfs/dbraw/zinc/76/58/17/641765817.db2.gz STMVNGJZIKUNNO-RYUDHWBXSA-N 1 2 242.338 1.439 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001031176967 641775704 /nfs/dbraw/zinc/77/57/04/641775704.db2.gz ZEIPQSYELKWUPN-OLZOCXBDSA-N 1 2 236.359 1.633 20 0 BDADLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000193380236 641805828 /nfs/dbraw/zinc/80/58/28/641805828.db2.gz AYHYFNYGYGVKPP-GFCCVEGCSA-N 1 2 239.319 1.005 20 0 BDADLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000193380236 641805833 /nfs/dbraw/zinc/80/58/33/641805833.db2.gz AYHYFNYGYGVKPP-GFCCVEGCSA-N 1 2 239.319 1.005 20 0 BDADLO CC(C)[C@]1(C)NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000193380247 641806428 /nfs/dbraw/zinc/80/64/28/641806428.db2.gz AYHYFNYGYGVKPP-LBPRGKRZSA-N 1 2 239.319 1.005 20 0 BDADLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000193380247 641806432 /nfs/dbraw/zinc/80/64/32/641806432.db2.gz AYHYFNYGYGVKPP-LBPRGKRZSA-N 1 2 239.319 1.005 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000076408868 641810963 /nfs/dbraw/zinc/81/09/63/641810963.db2.gz OQKJACDHUZJCKW-LLVKDONJSA-N 1 2 224.210 1.895 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccco1 ZINC000915264163 641812896 /nfs/dbraw/zinc/81/28/96/641812896.db2.gz LWYZMVXEAONBOR-DOGVGXBMSA-N 1 2 245.282 1.694 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ncoc2C(C)C)C1 ZINC001031206842 641813679 /nfs/dbraw/zinc/81/36/79/641813679.db2.gz BYNLUQOJKBGSQN-UHFFFAOYSA-N 1 2 237.303 1.232 20 0 BDADLO Cn1c2ccncc2n(C[N@H+](C)CC2CC2)c1=O ZINC000153571011 641819660 /nfs/dbraw/zinc/81/96/60/641819660.db2.gz ADRIXDSZPLCPIE-UHFFFAOYSA-N 1 2 246.314 1.034 20 0 BDADLO Cn1c2ccncc2n(C[N@@H+](C)CC2CC2)c1=O ZINC000153571011 641819664 /nfs/dbraw/zinc/81/96/64/641819664.db2.gz ADRIXDSZPLCPIE-UHFFFAOYSA-N 1 2 246.314 1.034 20 0 BDADLO Cc1ccc(Cc2noc([C@@H](C)[NH+](C)C)n2)cn1 ZINC000923860821 641824182 /nfs/dbraw/zinc/82/41/82/641824182.db2.gz XUKRFCOWZODSLB-SNVBAGLBSA-N 1 2 246.314 1.986 20 0 BDADLO CCN(C(=O)c1cccnc1)C1C[NH+](CC)C1 ZINC000949575837 641844461 /nfs/dbraw/zinc/84/44/61/641844461.db2.gz HXAQFMBXWLAAAZ-UHFFFAOYSA-N 1 2 233.315 1.248 20 0 BDADLO CC1(C)C[NH+](CN2CCCC2=O)CC(C)(C)O1 ZINC000190415512 641864065 /nfs/dbraw/zinc/86/40/65/641864065.db2.gz UTVZPWWBKGFNTB-UHFFFAOYSA-N 1 2 240.347 1.456 20 0 BDADLO CCO[C@@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000788049780 641872624 /nfs/dbraw/zinc/87/26/24/641872624.db2.gz ITBLMFVTGBHAIR-JTQLQIEISA-N 1 2 240.303 1.321 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C(C)(C)C)C1 ZINC001031292662 641874112 /nfs/dbraw/zinc/87/41/12/641874112.db2.gz XJFWIVKZTSYAFJ-UHFFFAOYSA-N 1 2 224.348 1.799 20 0 BDADLO CC(C)c1noc([C@H]2C[N@H+](C)C[C@H](C)O2)n1 ZINC000923756998 642109936 /nfs/dbraw/zinc/10/99/36/642109936.db2.gz BUFTUKKIIBGLRY-DTWKUNHWSA-N 1 2 225.292 1.585 20 0 BDADLO CC(C)c1noc([C@H]2C[N@@H+](C)C[C@H](C)O2)n1 ZINC000923756998 642109945 /nfs/dbraw/zinc/10/99/45/642109945.db2.gz BUFTUKKIIBGLRY-DTWKUNHWSA-N 1 2 225.292 1.585 20 0 BDADLO CCc1onc(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000930012879 642173225 /nfs/dbraw/zinc/17/32/25/642173225.db2.gz DTSOHANZMAFZEP-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCc1onc(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000930012879 642173228 /nfs/dbraw/zinc/17/32/28/642173228.db2.gz DTSOHANZMAFZEP-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933215593 642395278 /nfs/dbraw/zinc/39/52/78/642395278.db2.gz STRZCSGWUSGQLA-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933215593 642395286 /nfs/dbraw/zinc/39/52/86/642395286.db2.gz STRZCSGWUSGQLA-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCC/C(C)=C/C(=O)NCCn1cc[nH+]c1 ZINC000920218020 642457084 /nfs/dbraw/zinc/45/70/84/642457084.db2.gz OGZTXJTVRXLFHC-PKNBQFBNSA-N 1 2 221.304 1.746 20 0 BDADLO CC[C@H](CO)Nc1cc(N[C@@H](C)CC)[nH+]cn1 ZINC000891390732 642458807 /nfs/dbraw/zinc/45/88/07/642458807.db2.gz OTTGKPNTYKWZFE-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO CC[C@H](CO)Nc1cc(N[C@@H](C)CC)nc[nH+]1 ZINC000891390732 642458816 /nfs/dbraw/zinc/45/88/16/642458816.db2.gz OTTGKPNTYKWZFE-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO Cc1cn(Cc2[nH+]ccn2C(F)F)c(=O)s1 ZINC000920301985 642466355 /nfs/dbraw/zinc/46/63/55/642466355.db2.gz HMNFWEGZIBGGOU-UHFFFAOYSA-N 1 2 245.254 1.858 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000891402922 642478218 /nfs/dbraw/zinc/47/82/18/642478218.db2.gz ZKLVVHRNCNUYLI-PHIMTYICSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000891402922 642478226 /nfs/dbraw/zinc/47/82/26/642478226.db2.gz ZKLVVHRNCNUYLI-PHIMTYICSA-N 1 2 249.358 1.907 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000921380090 642606206 /nfs/dbraw/zinc/60/62/06/642606206.db2.gz DRAUTDGSYJXGQT-GARJFASQSA-N 1 2 233.315 1.647 20 0 BDADLO Cc1cc(C)cc([C@H](O)C[NH+]2CCOCC2)c1 ZINC000097986938 642651985 /nfs/dbraw/zinc/65/19/85/642651985.db2.gz TYFLBUWTGRQBOO-CQSZACIVSA-N 1 2 235.327 1.669 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000233699671 642692106 /nfs/dbraw/zinc/69/21/06/642692106.db2.gz JUMYZJUPNXHKNH-KPPDAEKUSA-N 1 2 213.321 1.962 20 0 BDADLO C[N@H+](C/C=C/Cl)C[C@@H](O)C(F)(F)F ZINC000305775008 642693201 /nfs/dbraw/zinc/69/32/01/642693201.db2.gz NACANDCOKDJQRX-YRFDSLTASA-N 1 2 217.618 1.594 20 0 BDADLO C[N@@H+](C/C=C/Cl)C[C@@H](O)C(F)(F)F ZINC000305775008 642693209 /nfs/dbraw/zinc/69/32/09/642693209.db2.gz NACANDCOKDJQRX-YRFDSLTASA-N 1 2 217.618 1.594 20 0 BDADLO C[C@H](Cn1cccn1)[NH2+]CC(F)(F)C(F)F ZINC000237586566 642720910 /nfs/dbraw/zinc/72/09/10/642720910.db2.gz YAHAJBVAVGAYRP-SSDOTTSWSA-N 1 2 239.216 1.762 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001009790004 642839721 /nfs/dbraw/zinc/83/97/21/642839721.db2.gz YSQWXUVLEIMHCP-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001009790004 642839723 /nfs/dbraw/zinc/83/97/23/642839723.db2.gz YSQWXUVLEIMHCP-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCSC2)n1 ZINC000070004941 642950151 /nfs/dbraw/zinc/95/01/51/642950151.db2.gz DVSLOJMLTQYZBZ-ZETCQYMHSA-N 1 2 213.306 1.400 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1nccs1 ZINC000070733119 643068561 /nfs/dbraw/zinc/06/85/61/643068561.db2.gz HDXRYLPIMNCBIH-SECBINFHSA-N 1 2 241.360 1.662 20 0 BDADLO Cn1nccc1C[NH2+]Cc1ncc(Cl)n1C ZINC000070797728 643070997 /nfs/dbraw/zinc/07/09/97/643070997.db2.gz PKNJPVQPZOGAOS-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c(C)o1 ZINC000092042200 643079700 /nfs/dbraw/zinc/07/97/00/643079700.db2.gz JCSQFWHPYHUXKW-TVQRCGJNSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c(C)o1 ZINC000092042200 643079708 /nfs/dbraw/zinc/07/97/08/643079708.db2.gz JCSQFWHPYHUXKW-TVQRCGJNSA-N 1 2 239.315 1.478 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)CCO1 ZINC000932335346 643122709 /nfs/dbraw/zinc/12/27/09/643122709.db2.gz JRGCTBGGUVOGRA-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)CCO1 ZINC000932335346 643122716 /nfs/dbraw/zinc/12/27/16/643122716.db2.gz JRGCTBGGUVOGRA-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000066961596 643171553 /nfs/dbraw/zinc/17/15/53/643171553.db2.gz NFKBQWNPTHAEIB-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000066961596 643171558 /nfs/dbraw/zinc/17/15/58/643171558.db2.gz NFKBQWNPTHAEIB-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CC12CCC2 ZINC001032015944 643188687 /nfs/dbraw/zinc/18/86/87/643188687.db2.gz VBDQOLHLPGCKOE-LLVKDONJSA-N 1 2 240.322 1.194 20 0 BDADLO BrC1=CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000306442748 643325912 /nfs/dbraw/zinc/32/59/12/643325912.db2.gz LHSIGFVFPGZGIM-VIFPVBQESA-N 1 2 232.121 1.760 20 0 BDADLO BrC1=CCC[N@H+]([C@H]2CCOC2)C1 ZINC000306442748 643325917 /nfs/dbraw/zinc/32/59/17/643325917.db2.gz LHSIGFVFPGZGIM-VIFPVBQESA-N 1 2 232.121 1.760 20 0 BDADLO CC(=O)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC000082644847 643360758 /nfs/dbraw/zinc/36/07/58/643360758.db2.gz JBFKKNGMUFYYCF-UHFFFAOYSA-N 1 2 222.288 1.784 20 0 BDADLO C/C(=C\C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000733984549 643485362 /nfs/dbraw/zinc/48/53/62/643485362.db2.gz YOIYXLALZMNCIG-UXBLZVDNSA-N 1 2 231.299 1.623 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](O)C2)co1 ZINC000929216142 643526278 /nfs/dbraw/zinc/52/62/78/643526278.db2.gz YJKPGNYESAMNHS-NSHDSACASA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H](O)C2)co1 ZINC000929216142 643526287 /nfs/dbraw/zinc/52/62/87/643526287.db2.gz YJKPGNYESAMNHS-NSHDSACASA-N 1 2 238.331 1.929 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@@H]2CCCO2)n1 ZINC000083525224 643584925 /nfs/dbraw/zinc/58/49/25/643584925.db2.gz WKPKBMRNDCYIEZ-VIFPVBQESA-N 1 2 225.292 1.291 20 0 BDADLO CC[N@H+](CCO)Cc1nnc(C(C)(C)C)o1 ZINC000050105297 643593557 /nfs/dbraw/zinc/59/35/57/643593557.db2.gz ACZTYGSJGRHBNO-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO CC[N@@H+](CCO)Cc1nnc(C(C)(C)C)o1 ZINC000050105297 643593560 /nfs/dbraw/zinc/59/35/60/643593560.db2.gz ACZTYGSJGRHBNO-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO CC(C)C1(O)C[NH+](CCC(F)(F)F)C1 ZINC000084376900 643660469 /nfs/dbraw/zinc/66/04/69/643660469.db2.gz AVLSAQVKPNGZPK-UHFFFAOYSA-N 1 2 211.227 1.642 20 0 BDADLO CCC(F)(F)CNc1nc[nH+]c2c1OCCN2 ZINC000624560433 643679435 /nfs/dbraw/zinc/67/94/35/643679435.db2.gz DKWRUZLUWFNBBH-UHFFFAOYSA-N 1 2 244.245 1.160 20 0 BDADLO CCC(F)(F)CNc1[nH+]cnc2c1OCCN2 ZINC000624560433 643679436 /nfs/dbraw/zinc/67/94/36/643679436.db2.gz DKWRUZLUWFNBBH-UHFFFAOYSA-N 1 2 244.245 1.160 20 0 BDADLO CCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001002189340 643810250 /nfs/dbraw/zinc/81/02/50/643810250.db2.gz RAGBRBUTBNRPLE-UHFFFAOYSA-N 1 2 237.303 1.165 20 0 BDADLO Cc1noc(C)c1[C@@H](C)N[C@H]1CC[N@H+](C)C1 ZINC000086109790 643910408 /nfs/dbraw/zinc/91/04/08/643910408.db2.gz ZPJYURSOCFZHNR-KCJUWKMLSA-N 1 2 223.320 1.646 20 0 BDADLO Cc1noc(C)c1[C@@H](C)N[C@H]1CC[N@@H+](C)C1 ZINC000086109790 643910411 /nfs/dbraw/zinc/91/04/11/643910411.db2.gz ZPJYURSOCFZHNR-KCJUWKMLSA-N 1 2 223.320 1.646 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1CCOCC1 ZINC000922273815 643941191 /nfs/dbraw/zinc/94/11/91/643941191.db2.gz LTLZLOXWWWLTFC-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@]12CCCO2 ZINC000922303574 643962441 /nfs/dbraw/zinc/96/24/41/643962441.db2.gz WFTOUFGWNQIUJO-ZWNOBZJWSA-N 1 2 249.314 1.170 20 0 BDADLO CCO[C@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922347286 643978358 /nfs/dbraw/zinc/97/83/58/643978358.db2.gz VYFGDWBEAUDPJI-MRVPVSSYSA-N 1 2 224.260 1.132 20 0 BDADLO COCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922363122 643982170 /nfs/dbraw/zinc/98/21/70/643982170.db2.gz WDMVOSCRDQRKDP-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922365083 643982212 /nfs/dbraw/zinc/98/22/12/643982212.db2.gz VEKGPVUVLJYAHV-NXEZZACHSA-N 1 2 236.271 1.132 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(N)nc1 ZINC000922473510 643999570 /nfs/dbraw/zinc/99/95/70/643999570.db2.gz FICFDHAYTVVQRK-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(N)nc1 ZINC000922473510 643999577 /nfs/dbraw/zinc/99/95/77/643999577.db2.gz FICFDHAYTVVQRK-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCCS1 ZINC000922501876 644006764 /nfs/dbraw/zinc/00/67/64/644006764.db2.gz MMIFHLUQIHBLNP-VIFPVBQESA-N 1 2 238.312 1.603 20 0 BDADLO CCC1(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922511906 644009162 /nfs/dbraw/zinc/00/91/62/644009162.db2.gz YTWNVCHTHXEHGV-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1=CCCC1 ZINC000922529415 644017379 /nfs/dbraw/zinc/01/73/79/644017379.db2.gz VLKVKWCIVAFCDQ-UHFFFAOYSA-N 1 2 218.256 1.817 20 0 BDADLO CC(C)[C@@H](O)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922550553 644018010 /nfs/dbraw/zinc/01/80/10/644018010.db2.gz SYIVORXBSRULDN-JTQLQIEISA-N 1 2 238.287 1.114 20 0 BDADLO C[N@@H+]1CC[C@H]1CNCc1cc2n(n1)CCCC2 ZINC000922576002 644028983 /nfs/dbraw/zinc/02/89/83/644028983.db2.gz JHUTVGRWVXLMTN-ZDUSSCGKSA-N 1 2 234.347 1.013 20 0 BDADLO C[N@H+]1CC[C@H]1CNCc1cc2n(n1)CCCC2 ZINC000922576002 644028988 /nfs/dbraw/zinc/02/89/88/644028988.db2.gz JHUTVGRWVXLMTN-ZDUSSCGKSA-N 1 2 234.347 1.013 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922579376 644031937 /nfs/dbraw/zinc/03/19/37/644031937.db2.gz ICQRLZQSQLZVTA-GFCCVEGCSA-N 1 2 243.314 1.749 20 0 BDADLO Cn1cc(C[NH2+][C@H](c2ncccn2)C2CC2)cn1 ZINC000922582405 644034224 /nfs/dbraw/zinc/03/42/24/644034224.db2.gz MBXQBDOSOIHWRP-LBPRGKRZSA-N 1 2 243.314 1.451 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922623434 644042712 /nfs/dbraw/zinc/04/27/12/644042712.db2.gz VFGFVKSYMJJELX-GHMZBOCLSA-N 1 2 234.299 1.999 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922623435 644043530 /nfs/dbraw/zinc/04/35/30/644043530.db2.gz VFGFVKSYMJJELX-MNOVXSKESA-N 1 2 234.299 1.999 20 0 BDADLO CSC1(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922640731 644054326 /nfs/dbraw/zinc/05/43/26/644054326.db2.gz WDXNWMVSJTWUJN-UHFFFAOYSA-N 1 2 238.312 1.603 20 0 BDADLO CCC[C@@H](OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922767221 644090516 /nfs/dbraw/zinc/09/05/16/644090516.db2.gz OLAQABHJQAKIHL-SNVBAGLBSA-N 1 2 238.287 1.522 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CC2(F)F)c[nH+]1 ZINC000922777241 644092289 /nfs/dbraw/zinc/09/22/89/644092289.db2.gz ZOVWIIWJJLZDFY-SSDOTTSWSA-N 1 2 228.198 1.362 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CC12CC2 ZINC000922811860 644100204 /nfs/dbraw/zinc/10/02/04/644100204.db2.gz PMEHAKYYVJUQAV-SECBINFHSA-N 1 2 218.256 1.507 20 0 BDADLO CSC(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922863996 644122782 /nfs/dbraw/zinc/12/27/82/644122782.db2.gz PXUWBIYVFKLQRA-UHFFFAOYSA-N 1 2 240.328 1.849 20 0 BDADLO CCC[NH+](CCC)Cn1nc2ccccn2c1=O ZINC000079032425 644145020 /nfs/dbraw/zinc/14/50/20/644145020.db2.gz VIQIYWGBOPPNCT-UHFFFAOYSA-N 1 2 248.330 1.576 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186779225 644145268 /nfs/dbraw/zinc/14/52/68/644145268.db2.gz ILCYCMFFBKDFER-UHFFFAOYSA-N 1 2 229.320 1.034 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000186779225 644145272 /nfs/dbraw/zinc/14/52/72/644145272.db2.gz ILCYCMFFBKDFER-UHFFFAOYSA-N 1 2 229.320 1.034 20 0 BDADLO C[C@H]1CO[C@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922940464 644197327 /nfs/dbraw/zinc/19/73/27/644197327.db2.gz BMBWQJKIYDUNLA-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cncc(O)c1 ZINC000922976129 644207167 /nfs/dbraw/zinc/20/71/67/644207167.db2.gz RQWMRFWKSSOUNN-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO Cc1csc(C[NH2+]Cc2cncc(O)c2)n1 ZINC000922976514 644211345 /nfs/dbraw/zinc/21/13/45/644211345.db2.gz YQDYRUJAFPVUJC-UHFFFAOYSA-N 1 2 235.312 1.842 20 0 BDADLO CC[C@H](C)[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC000081562386 644330867 /nfs/dbraw/zinc/33/08/67/644330867.db2.gz FCLOXBZNQFZSJA-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CO[C@@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000195488911 644393214 /nfs/dbraw/zinc/39/32/14/644393214.db2.gz JNUCREJQPCOEHF-VIFPVBQESA-N 1 2 208.261 1.754 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](COC)C(C)C ZINC000083400180 644403214 /nfs/dbraw/zinc/40/32/14/644403214.db2.gz KPIRDOPJSMLONT-LLVKDONJSA-N 1 2 231.336 1.590 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000088511910 644521633 /nfs/dbraw/zinc/52/16/33/644521633.db2.gz WZNRSFNNZCRBJR-LLVKDONJSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)C1 ZINC000247542646 644645052 /nfs/dbraw/zinc/64/50/52/644645052.db2.gz YNTVIZVTEQJVPO-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@@H](C)OC(C)(C)C2)C1 ZINC000247542646 644645059 /nfs/dbraw/zinc/64/50/59/644645059.db2.gz YNTVIZVTEQJVPO-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](CC1CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000956939415 644669038 /nfs/dbraw/zinc/66/90/38/644669038.db2.gz PBZMDCPBFVKUGJ-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000787022056 644782566 /nfs/dbraw/zinc/78/25/66/644782566.db2.gz KWWLHXIRWSNHFB-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO Nc1cc(COC(=O)c2cccnc2F)cc[nH+]1 ZINC000792259569 644795537 /nfs/dbraw/zinc/79/55/37/644795537.db2.gz AERYYOAUYYJJNT-UHFFFAOYSA-N 1 2 247.229 1.555 20 0 BDADLO CC[C@@H](SC)C(=O)OCCc1c[nH+]cn1C ZINC000793238524 644801456 /nfs/dbraw/zinc/80/14/56/644801456.db2.gz PDIWVXMHCVRFJT-SNVBAGLBSA-N 1 2 242.344 1.647 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCCCO1 ZINC000793239929 644801950 /nfs/dbraw/zinc/80/19/50/644801950.db2.gz WYIXMFPVHKYIDP-NSHDSACASA-N 1 2 238.287 1.075 20 0 BDADLO CC/C=C(\C)C(=O)OCCc1c[nH+]cn1C ZINC000793239392 644802119 /nfs/dbraw/zinc/80/21/19/644802119.db2.gz APRVVJNTWUEWMI-BJMVGYQFSA-N 1 2 222.288 1.862 20 0 BDADLO CC[C@@H](C)OCC(=O)OCCc1c[nH+]cn1C ZINC000793240279 644802121 /nfs/dbraw/zinc/80/21/21/644802121.db2.gz YQTAUJRNKMDIBE-SNVBAGLBSA-N 1 2 240.303 1.321 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cn2ccsc2=O)C1 ZINC000794657316 644804448 /nfs/dbraw/zinc/80/44/48/644804448.db2.gz NWPSDSHZZGIGJB-LLVKDONJSA-N 1 2 242.344 1.368 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000794657316 644804454 /nfs/dbraw/zinc/80/44/54/644804454.db2.gz NWPSDSHZZGIGJB-LLVKDONJSA-N 1 2 242.344 1.368 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CCC2(C)C)[C@@H](C)CO1 ZINC000808138090 644874000 /nfs/dbraw/zinc/87/40/00/644874000.db2.gz HOMYWPKOOXADHS-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CCC2(C)C)[C@@H](C)CO1 ZINC000808138090 644874005 /nfs/dbraw/zinc/87/40/05/644874005.db2.gz HOMYWPKOOXADHS-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000809564989 644892168 /nfs/dbraw/zinc/89/21/68/644892168.db2.gz PLZZZGNKELJUPU-ZDUSSCGKSA-N 1 2 236.315 1.183 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000809564989 644892172 /nfs/dbraw/zinc/89/21/72/644892172.db2.gz PLZZZGNKELJUPU-ZDUSSCGKSA-N 1 2 236.315 1.183 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cs1 ZINC000824236839 645054657 /nfs/dbraw/zinc/05/46/57/645054657.db2.gz NATOOWOXNZAKRE-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cs1 ZINC000824236839 645054665 /nfs/dbraw/zinc/05/46/65/645054665.db2.gz NATOOWOXNZAKRE-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)n(C)n1 ZINC000841870184 645236001 /nfs/dbraw/zinc/23/60/01/645236001.db2.gz WYKYLNDAOPKXNQ-JOYOIKCWSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)n(C)n1 ZINC000841870184 645236003 /nfs/dbraw/zinc/23/60/03/645236003.db2.gz WYKYLNDAOPKXNQ-JOYOIKCWSA-N 1 2 225.311 1.908 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2cnn(C)n2)cn1 ZINC000926539748 645263782 /nfs/dbraw/zinc/26/37/82/645263782.db2.gz AHVHOFNUQXBQSI-VHSXEESVSA-N 1 2 248.334 1.443 20 0 BDADLO CC(C)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845447473 645362311 /nfs/dbraw/zinc/36/23/11/645362311.db2.gz OWPXAOTWBRKIHX-UHFFFAOYSA-N 1 2 236.315 1.961 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OCC23CCC3)n(C)n1 ZINC000846066914 645396901 /nfs/dbraw/zinc/39/69/01/645396901.db2.gz IZMUUDFUTKWSCT-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)n(C)n1 ZINC000846066914 645396909 /nfs/dbraw/zinc/39/69/09/645396909.db2.gz IZMUUDFUTKWSCT-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1nonc1C ZINC000926760422 645407177 /nfs/dbraw/zinc/40/71/77/645407177.db2.gz ZSHADVVNFYINSR-ZOFUNIGCSA-N 1 2 225.292 1.596 20 0 BDADLO CCOCCOCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000927085809 645543086 /nfs/dbraw/zinc/54/30/86/645543086.db2.gz AQKHUHCWHKZFRC-SNVBAGLBSA-N 1 2 241.335 1.422 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(O)cc1F ZINC000857482871 645574604 /nfs/dbraw/zinc/57/46/04/645574604.db2.gz SHFCZIWVPQJXGM-UHFFFAOYSA-N 1 2 235.218 1.436 20 0 BDADLO COCC(C)(C)CC(=O)NCc1c[nH+]cn1C ZINC000857508244 645581376 /nfs/dbraw/zinc/58/13/76/645581376.db2.gz ZXTWCFNFPXQXPW-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000927778182 645654720 /nfs/dbraw/zinc/65/47/20/645654720.db2.gz UBYRBLKOZIMRSW-QWRGUYRKSA-N 1 2 249.314 1.095 20 0 BDADLO Nc1ccc(CNC(=O)C=C2CCCC2)c[nH+]1 ZINC000927776539 645654727 /nfs/dbraw/zinc/65/47/27/645654727.db2.gz KJVZWEWDGXEUKN-UHFFFAOYSA-N 1 2 231.299 1.780 20 0 BDADLO CSC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000869644386 645747187 /nfs/dbraw/zinc/74/71/87/645747187.db2.gz SGCMNRJMWMAPRE-UHFFFAOYSA-N 1 2 239.344 1.306 20 0 BDADLO CC(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929087862 645936304 /nfs/dbraw/zinc/93/63/04/645936304.db2.gz DOEUUEMMSDIUOH-UHFFFAOYSA-N 1 2 203.245 1.701 20 0 BDADLO CCc1ncc(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000929134149 645963020 /nfs/dbraw/zinc/96/30/20/645963020.db2.gz VWPSGXSIIWEAAI-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO CCc1ncc(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000929134149 645963024 /nfs/dbraw/zinc/96/30/24/645963024.db2.gz VWPSGXSIIWEAAI-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO C[C@H](c1nc([C@@H]2CCO[C@H](C)C2)no1)[NH+](C)C ZINC000923944289 645964050 /nfs/dbraw/zinc/96/40/50/645964050.db2.gz VCLVTXAHLMRILI-OPRDCNLKSA-N 1 2 239.319 1.975 20 0 BDADLO C[C@H](c1nc([C@H]2CCO[C@@H](C)C2)no1)[NH+](C)C ZINC000923944286 645965658 /nfs/dbraw/zinc/96/56/58/645965658.db2.gz VCLVTXAHLMRILI-AEJSXWLSSA-N 1 2 239.319 1.975 20 0 BDADLO CC1(CCC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000929155351 645976834 /nfs/dbraw/zinc/97/68/34/645976834.db2.gz ABSMNNOXSRNZIB-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(CCF)c2)[C@@H](C)CO1 ZINC000929181777 645990455 /nfs/dbraw/zinc/99/04/55/645990455.db2.gz HFNOTNYBHNFQFM-QWRGUYRKSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(CCF)c2)[C@@H](C)CO1 ZINC000929181777 645990460 /nfs/dbraw/zinc/99/04/60/645990460.db2.gz HFNOTNYBHNFQFM-QWRGUYRKSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@H]([NH2+]CCO)C(F)(F)c1ccccc1 ZINC000924568793 646070740 /nfs/dbraw/zinc/07/07/40/646070740.db2.gz DJMKLMSAWSETOP-VIFPVBQESA-N 1 2 215.243 1.749 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1nonc1C ZINC000924893524 646126368 /nfs/dbraw/zinc/12/63/68/646126368.db2.gz PXFRNFQUNNDTQJ-QMMMGPOBSA-N 1 2 249.318 1.579 20 0 BDADLO CC(=O)NCCCCC[N@@H+](C)CC(F)F ZINC000929515477 646164944 /nfs/dbraw/zinc/16/49/44/646164944.db2.gz KKAWICHIWNHVIX-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CC(=O)NCCCCC[N@H+](C)CC(F)F ZINC000929515477 646164946 /nfs/dbraw/zinc/16/49/46/646164946.db2.gz KKAWICHIWNHVIX-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO OCC[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929533528 646177685 /nfs/dbraw/zinc/17/76/85/646177685.db2.gz YDDHERRILRVVGM-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OCC[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929533528 646177687 /nfs/dbraw/zinc/17/76/87/646177687.db2.gz YDDHERRILRVVGM-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCn3cnnc3C2)c1 ZINC000929570778 646181624 /nfs/dbraw/zinc/18/16/24/646181624.db2.gz VPRAPBOTCUSFQP-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CC[N@H+](Cc1c(F)cncc1F)CC(C)(C)O ZINC000929644166 646218799 /nfs/dbraw/zinc/21/87/99/646218799.db2.gz NKWVNYNWQGKQRZ-UHFFFAOYSA-N 1 2 244.285 1.953 20 0 BDADLO CC[N@@H+](Cc1c(F)cncc1F)CC(C)(C)O ZINC000929644166 646218806 /nfs/dbraw/zinc/21/88/06/646218806.db2.gz NKWVNYNWQGKQRZ-UHFFFAOYSA-N 1 2 244.285 1.953 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cnn(C)n1 ZINC000925245124 646219426 /nfs/dbraw/zinc/21/94/26/646219426.db2.gz PJMVUSQFZWWYNY-DCAQKATOSA-N 1 2 249.362 1.091 20 0 BDADLO Cc1[nH]c(CN2CCSC[C@H]2C)c(C)[nH+]1 ZINC000929689309 646246068 /nfs/dbraw/zinc/24/60/68/646246068.db2.gz URYRGWJJLZHIFZ-MRVPVSSYSA-N 1 2 225.361 1.964 20 0 BDADLO O=C(NCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929735527 646280278 /nfs/dbraw/zinc/28/02/78/646280278.db2.gz RVYCTZQJKFIYID-UHFFFAOYSA-N 1 2 215.256 1.703 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)C[C@H](O)C1CC1 ZINC000929806125 646326841 /nfs/dbraw/zinc/32/68/41/646326841.db2.gz JJZJVPCBULBESR-LBPRGKRZSA-N 1 2 242.269 1.563 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)C[C@H](O)C1CC1 ZINC000929806125 646326846 /nfs/dbraw/zinc/32/68/46/646326846.db2.gz JJZJVPCBULBESR-LBPRGKRZSA-N 1 2 242.269 1.563 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@]3(CCOC3)C2)s1 ZINC000929825927 646342034 /nfs/dbraw/zinc/34/20/34/646342034.db2.gz MXNRAZCPTOEALS-JTQLQIEISA-N 1 2 225.317 1.151 20 0 BDADLO c1nnc(C[N@H+]2CC[C@]3(CCOC3)C2)s1 ZINC000929825927 646342038 /nfs/dbraw/zinc/34/20/38/646342038.db2.gz MXNRAZCPTOEALS-JTQLQIEISA-N 1 2 225.317 1.151 20 0 BDADLO O[C@H](CC[C@@H](O)c1ccccc1)Cn1cc[nH+]c1 ZINC000929866367 646366690 /nfs/dbraw/zinc/36/66/90/646366690.db2.gz XZNGJLWBAOYKIW-ZIAGYGMSSA-N 1 2 246.310 1.758 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1nncs1 ZINC000929892335 646370172 /nfs/dbraw/zinc/37/01/72/646370172.db2.gz ZNOHTHBXLVDBJV-UHFFFAOYSA-N 1 2 248.355 1.998 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1nncs1 ZINC000929892335 646370182 /nfs/dbraw/zinc/37/01/82/646370182.db2.gz ZNOHTHBXLVDBJV-UHFFFAOYSA-N 1 2 248.355 1.998 20 0 BDADLO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000925635906 646379992 /nfs/dbraw/zinc/37/99/92/646379992.db2.gz UYHDHXMLBXJKKH-DTWKUNHWSA-N 1 2 248.334 1.741 20 0 BDADLO CC[C@@H]1C[C@H]1C[NH2+][C@@](C)(COC)C(=O)OC ZINC000930156061 646464745 /nfs/dbraw/zinc/46/47/45/646464745.db2.gz TVUNFUFJUIJEOK-SCVCMEIPSA-N 1 2 229.320 1.200 20 0 BDADLO COCC(COC)[N@@H+]1CCC=C(F)C1 ZINC000930173269 646475119 /nfs/dbraw/zinc/47/51/19/646475119.db2.gz IPIWZYLRWFANJD-UHFFFAOYSA-N 1 2 203.257 1.207 20 0 BDADLO COCC(COC)[N@H+]1CCC=C(F)C1 ZINC000930173269 646475122 /nfs/dbraw/zinc/47/51/22/646475122.db2.gz IPIWZYLRWFANJD-UHFFFAOYSA-N 1 2 203.257 1.207 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1cnn(C)n1 ZINC000926128910 646578773 /nfs/dbraw/zinc/57/87/73/646578773.db2.gz YOUOSVCQNNACBH-RKDXNWHRSA-N 1 2 249.293 1.761 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)s1 ZINC000934576010 711595355 /nfs/dbraw/zinc/59/53/55/711595355.db2.gz PVJYZPOQVOGOGA-NXEZZACHSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)s1 ZINC000934576010 711595358 /nfs/dbraw/zinc/59/53/58/711595358.db2.gz PVJYZPOQVOGOGA-NXEZZACHSA-N 1 2 244.335 1.665 20 0 BDADLO CN(Cc1cccs1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724737323 711610493 /nfs/dbraw/zinc/61/04/93/711610493.db2.gz AGXKWBTUIDFUFD-QMMMGPOBSA-N 1 2 248.298 1.689 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000310022987 711702034 /nfs/dbraw/zinc/70/20/34/711702034.db2.gz OEBWFBHFBSFHOU-LLVKDONJSA-N 1 2 229.320 1.080 20 0 BDADLO C/C=C(/CC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000189927092 711705758 /nfs/dbraw/zinc/70/57/58/711705758.db2.gz OALBQVOWKFLAEW-JXMFCEOTSA-N 1 2 241.331 1.607 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC001032846669 711962380 /nfs/dbraw/zinc/96/23/80/711962380.db2.gz FRFCDWKKTRJNCK-NSHDSACASA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC001032846669 711962381 /nfs/dbraw/zinc/96/23/81/711962381.db2.gz FRFCDWKKTRJNCK-NSHDSACASA-N 1 2 239.344 1.196 20 0 BDADLO CCC[C@H]1C[N@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000709046345 712206708 /nfs/dbraw/zinc/20/67/08/712206708.db2.gz VXHXVZDJGGZTDA-BCMYLCSRSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@H]1C[N@@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000709046345 712206711 /nfs/dbraw/zinc/20/67/11/712206711.db2.gz VXHXVZDJGGZTDA-BCMYLCSRSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000709715891 712216847 /nfs/dbraw/zinc/21/68/47/712216847.db2.gz QVJDRKPPGPPXBD-LPEHRKFASA-N 1 2 231.361 1.812 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccns2)nc(N)[nH+]1 ZINC000717324549 712648804 /nfs/dbraw/zinc/64/88/04/712648804.db2.gz XGPILGRPPVNETM-YFKPBYRVSA-N 1 2 236.304 1.392 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)c2ccns2)[nH+]1 ZINC000717324549 712648805 /nfs/dbraw/zinc/64/88/05/712648805.db2.gz XGPILGRPPVNETM-YFKPBYRVSA-N 1 2 236.304 1.392 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC[C@@H]1CC ZINC000380400494 712900466 /nfs/dbraw/zinc/90/04/66/712900466.db2.gz PABXZXXLMARALL-GZTOBOFZSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC[C@@H]1CC ZINC000380400494 712900467 /nfs/dbraw/zinc/90/04/67/712900467.db2.gz PABXZXXLMARALL-GZTOBOFZSA-N 1 2 227.304 1.217 20 0 BDADLO CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001067347620 710765331 /nfs/dbraw/zinc/76/53/31/710765331.db2.gz PDDUCOSWQMJHQM-BXKDBHETSA-N 1 2 248.330 1.136 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccsc2)C1 ZINC001042458364 710784536 /nfs/dbraw/zinc/78/45/36/710784536.db2.gz NGOYFRXSROANSL-UHFFFAOYSA-N 1 2 224.329 1.524 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)oc2C)C1 ZINC001042470280 710785478 /nfs/dbraw/zinc/78/54/78/710785478.db2.gz ZEBCUGNYJVAMGW-UHFFFAOYSA-N 1 2 236.315 1.673 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2csc(C)c2)C1 ZINC001044053688 710818333 /nfs/dbraw/zinc/81/83/33/710818333.db2.gz AMXBVXJFOVKVPJ-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001044133829 710820436 /nfs/dbraw/zinc/82/04/36/710820436.db2.gz ITUSJGJOUKUMIM-UHFFFAOYSA-N 1 2 248.330 1.063 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2nocc2C)C1 ZINC001046091855 710847013 /nfs/dbraw/zinc/84/70/13/710847013.db2.gz UWXIOGRMKOZMKY-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2nocc2C)C1 ZINC001046091855 710847014 /nfs/dbraw/zinc/84/70/14/710847014.db2.gz UWXIOGRMKOZMKY-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1c(N)cccc1C(=O)OCCn1cc[nH+]c1 ZINC000386258634 711027130 /nfs/dbraw/zinc/02/71/30/711027130.db2.gz UUKBNCFYNLFVRQ-UHFFFAOYSA-N 1 2 245.282 1.631 20 0 BDADLO Cc1nsc(NC(C)(C)CCC[NH+](C)C)n1 ZINC000387180057 711041587 /nfs/dbraw/zinc/04/15/87/711041587.db2.gz KAYHCSBEWRGFTI-UHFFFAOYSA-N 1 2 242.392 1.801 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C(C)(C)C)o2)C[C@H]1O ZINC000387958510 711049759 /nfs/dbraw/zinc/04/97/59/711049759.db2.gz YEGVQDSWMICLGF-DTWKUNHWSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C(C)(C)C)o2)C[C@H]1O ZINC000387958510 711049762 /nfs/dbraw/zinc/04/97/62/711049762.db2.gz YEGVQDSWMICLGF-DTWKUNHWSA-N 1 2 239.319 1.180 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000395082260 711201326 /nfs/dbraw/zinc/20/13/26/711201326.db2.gz AXTSGLCDGWBLFH-TUAOUCFPSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cccc(C#N)c1 ZINC000398333009 711408225 /nfs/dbraw/zinc/40/82/25/711408225.db2.gz BOUIFLMWWGAOFS-SECBINFHSA-N 1 2 227.271 1.527 20 0 BDADLO c1nc(C[NH2+][C@H]2CCCc3n[nH]cc32)co1 ZINC000381169089 710606249 /nfs/dbraw/zinc/60/62/49/710606249.db2.gz SYCLJSBBZLTJOX-JTQLQIEISA-N 1 2 218.260 1.565 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC000381313428 710619944 /nfs/dbraw/zinc/61/99/44/710619944.db2.gz AVZSZSLYNJJZID-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc(Cl)n2C)[nH]n1 ZINC000381353217 710626609 /nfs/dbraw/zinc/62/66/09/710626609.db2.gz CHMDVTBHUTTYKH-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccon2)C1 ZINC001071284414 710841277 /nfs/dbraw/zinc/84/12/77/710841277.db2.gz CBVCMXHHVOPNJS-MWLCHTKSSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccon2)C1 ZINC001071284414 710841280 /nfs/dbraw/zinc/84/12/80/710841280.db2.gz CBVCMXHHVOPNJS-MWLCHTKSSA-N 1 2 237.303 1.164 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)n2)c(C)o1 ZINC000383634172 710985175 /nfs/dbraw/zinc/98/51/75/710985175.db2.gz XWENEYDNDZUABC-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000386573715 711032568 /nfs/dbraw/zinc/03/25/68/711032568.db2.gz YCBWKLZJKFPQLS-UHFFFAOYSA-N 1 2 245.282 1.439 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)cn1 ZINC000392475469 711148985 /nfs/dbraw/zinc/14/89/85/711148985.db2.gz SHZJGQGRICTGSK-MRVPVSSYSA-N 1 2 247.302 1.368 20 0 BDADLO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)C(=O)OC(C)(C)C ZINC000397201400 711379662 /nfs/dbraw/zinc/37/96/62/711379662.db2.gz WMBOTHURXVHQIK-ZWNOBZJWSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)C(=O)OC(C)(C)C ZINC000397799883 711391625 /nfs/dbraw/zinc/39/16/25/711391625.db2.gz DZIZAVVJVHINKE-GARJFASQSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@@H]1CCC(=O)C[N@@H+]1CCC1CCOCC1 ZINC000932875681 711490045 /nfs/dbraw/zinc/49/00/45/711490045.db2.gz CHJFLDPHBDWTQU-LLVKDONJSA-N 1 2 225.332 1.857 20 0 BDADLO C[C@@H]1CCC(=O)C[N@H+]1CCC1CCOCC1 ZINC000932875681 711490046 /nfs/dbraw/zinc/49/00/46/711490046.db2.gz CHJFLDPHBDWTQU-LLVKDONJSA-N 1 2 225.332 1.857 20 0 BDADLO CCC(C)(C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724727832 711610270 /nfs/dbraw/zinc/61/02/70/711610270.db2.gz QJCHHSRJMMNPNW-ZCFIWIBFSA-N 1 2 208.252 1.274 20 0 BDADLO Cc1cccc(NC(=O)C[C@H]([NH3+])C(F)F)c1 ZINC000724773250 711611461 /nfs/dbraw/zinc/61/14/61/711611461.db2.gz WNWQDWAEZRTUJR-VIFPVBQESA-N 1 2 228.242 1.916 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000724776138 711611973 /nfs/dbraw/zinc/61/19/73/711611973.db2.gz XKQFRIHWSKSKAC-JTQLQIEISA-N 1 2 211.284 1.900 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000724776138 711611974 /nfs/dbraw/zinc/61/19/74/711611974.db2.gz XKQFRIHWSKSKAC-JTQLQIEISA-N 1 2 211.284 1.900 20 0 BDADLO CC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001068271184 711689912 /nfs/dbraw/zinc/68/99/12/711689912.db2.gz LBGXLQDRHYVOOV-JOYOIKCWSA-N 1 2 248.330 1.454 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893407361 711716173 /nfs/dbraw/zinc/71/61/73/711716173.db2.gz GHWNNTDBJJQFKU-IUCAKERBSA-N 1 2 224.308 1.378 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893407361 711716174 /nfs/dbraw/zinc/71/61/74/711716174.db2.gz GHWNNTDBJJQFKU-IUCAKERBSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931462324 711722749 /nfs/dbraw/zinc/72/27/49/711722749.db2.gz NREBWAFVPRUWIJ-RKDXNWHRSA-N 1 2 246.318 1.219 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931462324 711722751 /nfs/dbraw/zinc/72/27/51/711722751.db2.gz NREBWAFVPRUWIJ-RKDXNWHRSA-N 1 2 246.318 1.219 20 0 BDADLO O=C(NC[C@H]1CCC[N@H+]1CCF)c1ccco1 ZINC001027723425 711733306 /nfs/dbraw/zinc/73/33/06/711733306.db2.gz CMVFSUVIACEHQQ-SNVBAGLBSA-N 1 2 240.278 1.443 20 0 BDADLO O=C(NC[C@H]1CCC[N@@H+]1CCF)c1ccco1 ZINC001027723425 711733308 /nfs/dbraw/zinc/73/33/08/711733308.db2.gz CMVFSUVIACEHQQ-SNVBAGLBSA-N 1 2 240.278 1.443 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000878969555 711767707 /nfs/dbraw/zinc/76/77/07/711767707.db2.gz WLCLJXZOWKPNNK-NWDGAFQWSA-N 1 2 241.331 1.250 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000878969555 711767709 /nfs/dbraw/zinc/76/77/09/711767709.db2.gz WLCLJXZOWKPNNK-NWDGAFQWSA-N 1 2 241.331 1.250 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)co2)C[C@@H](C)O1 ZINC000894531913 711771697 /nfs/dbraw/zinc/77/16/97/711771697.db2.gz BGKYHTXALWVGBJ-YPMHNXCESA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)co2)C[C@@H](C)O1 ZINC000894531913 711771698 /nfs/dbraw/zinc/77/16/98/711771698.db2.gz BGKYHTXALWVGBJ-YPMHNXCESA-N 1 2 239.315 1.824 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H](C)C(F)(F)F)[nH+]c1C ZINC000896914816 711783960 /nfs/dbraw/zinc/78/39/60/711783960.db2.gz AFSCJOSBWNAMID-RXMQYKEDSA-N 1 2 249.236 1.841 20 0 BDADLO CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059539987 711785433 /nfs/dbraw/zinc/78/54/33/711785433.db2.gz IKYCQNBDBVZZKF-AOOOYVTPSA-N 1 2 234.303 1.254 20 0 BDADLO CCOC1CC2(C[C@@H]2Nc2nc(C)[nH+]c(N)n2)C1 ZINC000721250684 711794746 /nfs/dbraw/zinc/79/47/46/711794746.db2.gz QDDWMVOLPJNXNF-XEVUQIKYSA-N 1 2 249.318 1.132 20 0 BDADLO CCOC1CC2(C[C@@H]2Nc2nc(N)nc(C)[nH+]2)C1 ZINC000721250684 711794747 /nfs/dbraw/zinc/79/47/47/711794747.db2.gz QDDWMVOLPJNXNF-XEVUQIKYSA-N 1 2 249.318 1.132 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)C(C)(C)F)C1 ZINC001042404720 711820710 /nfs/dbraw/zinc/82/07/10/711820710.db2.gz BUUZPQBFRXJSQC-UHFFFAOYSA-N 1 2 242.338 1.843 20 0 BDADLO CC[NH+]1CC(NC(=O)c2sccc2C)C1 ZINC001030058127 711825687 /nfs/dbraw/zinc/82/56/87/711825687.db2.gz XDLTUSNIZGCBMY-UHFFFAOYSA-N 1 2 224.329 1.490 20 0 BDADLO C[C@@H](CC#N)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000068481924 711887472 /nfs/dbraw/zinc/88/74/72/711887472.db2.gz UHWWAXVBNIHRAR-NSHDSACASA-N 1 2 241.298 1.659 20 0 BDADLO Cc1cocc1C(=O)NCc1c[nH+]cn1C ZINC000529397249 711934666 /nfs/dbraw/zinc/93/46/66/711934666.db2.gz DQAZDAQGZGWKFV-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO c1[nH]nc2c1[C@H]([NH2+]Cc1ncccn1)CCC2 ZINC000702347605 712045832 /nfs/dbraw/zinc/04/58/32/712045832.db2.gz ZGHNHXUYEYJQOW-SNVBAGLBSA-N 1 2 229.287 1.367 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H](C)O1 ZINC000703964543 712096360 /nfs/dbraw/zinc/09/63/60/712096360.db2.gz CAOJAINGCIVNLL-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@H](C)O1 ZINC000703964543 712096361 /nfs/dbraw/zinc/09/63/61/712096361.db2.gz CAOJAINGCIVNLL-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(N)nn2)[C@@H](C)CO1 ZINC000703980934 712098128 /nfs/dbraw/zinc/09/81/28/712098128.db2.gz AXJUHMIBOZCNPC-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(N)nn2)[C@@H](C)CO1 ZINC000703980934 712098129 /nfs/dbraw/zinc/09/81/29/712098129.db2.gz AXJUHMIBOZCNPC-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706325705 712143952 /nfs/dbraw/zinc/14/39/52/712143952.db2.gz NKONLQYNZAHAFZ-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000706325705 712143955 /nfs/dbraw/zinc/14/39/55/712143955.db2.gz NKONLQYNZAHAFZ-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO CNc1cc(N2CC[C@@H](C(F)F)C2)nc[nH+]1 ZINC000706405963 712145024 /nfs/dbraw/zinc/14/50/24/712145024.db2.gz XXEOPVPAHMATDU-SSDOTTSWSA-N 1 2 228.246 1.610 20 0 BDADLO CNc1cc(N2CC[C@@H](C(F)F)C2)[nH+]cn1 ZINC000706405963 712145025 /nfs/dbraw/zinc/14/50/25/712145025.db2.gz XXEOPVPAHMATDU-SSDOTTSWSA-N 1 2 228.246 1.610 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cnc(Cl)cn1 ZINC000706748475 712154081 /nfs/dbraw/zinc/15/40/81/712154081.db2.gz KOFBJXFBDHGJIZ-JGVFFNPUSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cnc(Cl)cn1 ZINC000706748475 712154082 /nfs/dbraw/zinc/15/40/82/712154082.db2.gz KOFBJXFBDHGJIZ-JGVFFNPUSA-N 1 2 211.696 1.970 20 0 BDADLO O=C(c1cccc(F)n1)N1CC(n2cc[nH+]c2)C1 ZINC000707150989 712166019 /nfs/dbraw/zinc/16/60/19/712166019.db2.gz JKDFORLRWNJAST-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000707262432 712168007 /nfs/dbraw/zinc/16/80/07/712168007.db2.gz WAVTXGIAPJZCEZ-ZADCQDASSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000707262432 712168011 /nfs/dbraw/zinc/16/80/11/712168011.db2.gz WAVTXGIAPJZCEZ-ZADCQDASSA-N 1 2 241.331 1.605 20 0 BDADLO CC(C)=CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000707479807 712171143 /nfs/dbraw/zinc/17/11/43/712171143.db2.gz WWDYFTLQAMGLTO-UHFFFAOYSA-N 1 2 205.261 1.233 20 0 BDADLO CCC[C@H]1C[N@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000709046346 712206747 /nfs/dbraw/zinc/20/67/47/712206747.db2.gz VXHXVZDJGGZTDA-DSDFTUOUSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@H]1C[N@@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000709046346 712206748 /nfs/dbraw/zinc/20/67/48/712206748.db2.gz VXHXVZDJGGZTDA-DSDFTUOUSA-N 1 2 241.331 1.607 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709860401 712229843 /nfs/dbraw/zinc/22/98/43/712229843.db2.gz KKOUXYLZDZJCCI-VHSXEESVSA-N 1 2 237.290 1.097 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709860401 712229844 /nfs/dbraw/zinc/22/98/44/712229844.db2.gz KKOUXYLZDZJCCI-VHSXEESVSA-N 1 2 237.290 1.097 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C)cn2)n(C)n1 ZINC000709917386 712232583 /nfs/dbraw/zinc/23/25/83/712232583.db2.gz CRIBLPSJCGJZQK-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Fc1c[nH+]ccc1NC[C@@H]1CCC=CO1 ZINC000711061780 712277517 /nfs/dbraw/zinc/27/75/17/712277517.db2.gz UCUORNONDYFYRI-VIFPVBQESA-N 1 2 208.236 1.747 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922917418 712286339 /nfs/dbraw/zinc/28/63/39/712286339.db2.gz GTWHEKRGYVKNBN-SASUGWTJSA-N 1 2 246.310 1.999 20 0 BDADLO Cc1nc(NC[C@H]2CCC3(CCC3)O2)nc(N)[nH+]1 ZINC000711455170 712304357 /nfs/dbraw/zinc/30/43/57/712304357.db2.gz XJUCIHWPEGOVLM-SECBINFHSA-N 1 2 249.318 1.276 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCC3(CCC3)O2)[nH+]1 ZINC000711455170 712304358 /nfs/dbraw/zinc/30/43/58/712304358.db2.gz XJUCIHWPEGOVLM-SECBINFHSA-N 1 2 249.318 1.276 20 0 BDADLO CNc1cc(N2CCC[C@H](CF)C2)nc[nH+]1 ZINC000711508003 712308234 /nfs/dbraw/zinc/30/82/34/712308234.db2.gz KQNZLWZQTCJXMA-SECBINFHSA-N 1 2 224.283 1.704 20 0 BDADLO CNc1cc(N2CCC[C@H](CF)C2)[nH+]cn1 ZINC000711508003 712308235 /nfs/dbraw/zinc/30/82/35/712308235.db2.gz KQNZLWZQTCJXMA-SECBINFHSA-N 1 2 224.283 1.704 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001064709542 712345041 /nfs/dbraw/zinc/34/50/41/712345041.db2.gz YSKSBVLUYAUUHZ-SKDRFNHKSA-N 1 2 248.330 1.596 20 0 BDADLO CC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001065635754 712355885 /nfs/dbraw/zinc/35/58/85/712355885.db2.gz SBHWSBNJWCDJSR-CABZTGNLSA-N 1 2 248.330 1.454 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCCC(C)(C)O1 ZINC000714382438 712485088 /nfs/dbraw/zinc/48/50/88/712485088.db2.gz KGWPLCZVJCKZRH-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CCCC(C)(C)O1 ZINC000714382438 712485089 /nfs/dbraw/zinc/48/50/89/712485089.db2.gz KGWPLCZVJCKZRH-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cccnc2C)nn1 ZINC000714436360 712486828 /nfs/dbraw/zinc/48/68/28/712486828.db2.gz VUWBRUKFLYPERG-UHFFFAOYSA-N 1 2 245.330 1.681 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715410933 712517594 /nfs/dbraw/zinc/51/75/94/712517594.db2.gz BWJGHMMSHVIXSR-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715410933 712517596 /nfs/dbraw/zinc/51/75/96/712517596.db2.gz BWJGHMMSHVIXSR-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccnn1C ZINC000716468966 712563336 /nfs/dbraw/zinc/56/33/36/712563336.db2.gz MJQCVGRMXIARED-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccnn1C ZINC000716468966 712563337 /nfs/dbraw/zinc/56/33/37/712563337.db2.gz MJQCVGRMXIARED-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO O=C1C[C@@H](Nc2cccc[nH+]2)CN1CC1CC1 ZINC000716790774 712573718 /nfs/dbraw/zinc/57/37/18/712573718.db2.gz BASQJIYFSRNDEL-LLVKDONJSA-N 1 2 231.299 1.504 20 0 BDADLO O=C1C[C@H](Nc2cc[nH+]cc2F)CN1CC1CC1 ZINC000716815962 712576433 /nfs/dbraw/zinc/57/64/33/712576433.db2.gz FIQJOHRLNTVBFO-JTQLQIEISA-N 1 2 249.289 1.065 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC ZINC000385012026 712707686 /nfs/dbraw/zinc/70/76/86/712707686.db2.gz WTZUHAQUKJXNOJ-KQSJRHEJSA-N 1 2 243.347 1.730 20 0 BDADLO Clc1ncc(C[NH2+]Cc2cc[nH]n2)s1 ZINC000718188770 712752757 /nfs/dbraw/zinc/75/27/57/712752757.db2.gz FDBRAKSRKKBMPQ-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO Cc1cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)no1 ZINC000720370162 712836185 /nfs/dbraw/zinc/83/61/85/712836185.db2.gz SGYDFVXWHIEVSE-LBPRGKRZSA-N 1 2 237.347 1.945 20 0 BDADLO C[C@@H]1Cc2cc(C[NH+]3CCN(C)CC3)ccc2O1 ZINC000720794457 712865924 /nfs/dbraw/zinc/86/59/24/712865924.db2.gz AJRWCVCGRUCMPF-GFCCVEGCSA-N 1 2 246.354 1.757 20 0 BDADLO CCCNc1cc(NC[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000720966225 712883912 /nfs/dbraw/zinc/88/39/12/712883912.db2.gz YJHKRPSRTVALKH-AOOOYVTPSA-N 1 2 236.319 1.481 20 0 BDADLO CCCNc1cc(NC[C@H]2C[C@@H](O)C2)[nH+]cn1 ZINC000720966225 712883913 /nfs/dbraw/zinc/88/39/13/712883913.db2.gz YJHKRPSRTVALKH-AOOOYVTPSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C ZINC000721000226 712886427 /nfs/dbraw/zinc/88/64/27/712886427.db2.gz ZKISBJNAXCMFOO-LPEHRKFASA-N 1 2 229.320 1.077 20 0 BDADLO CCOC(C)(C)C[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001209066251 957309662 /nfs/dbraw/zinc/30/96/62/957309662.db2.gz ASOZMWAPXQZPJD-DTORHVGOSA-N 1 2 207.264 1.793 20 0 BDADLO CCOC(C)(C)C[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001209066251 957309674 /nfs/dbraw/zinc/30/96/74/957309674.db2.gz ASOZMWAPXQZPJD-DTORHVGOSA-N 1 2 207.264 1.793 20 0 BDADLO CCCOC[C@H](C)OCC[NH+]1CCOCC1 ZINC001210208665 957669505 /nfs/dbraw/zinc/66/95/05/957669505.db2.gz VJPKAYSRUAABLS-LBPRGKRZSA-N 1 2 231.336 1.150 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724707282 959221958 /nfs/dbraw/zinc/22/19/58/959221958.db2.gz AVQHLTHFIIUJMZ-CSMHCCOUSA-N 1 2 220.263 1.274 20 0 BDADLO COc1cc[nH+]cc1N[C@H]1CCCOC1 ZINC000309087286 959596170 /nfs/dbraw/zinc/59/61/70/959596170.db2.gz ZHCKGWGIAVXSMJ-VIFPVBQESA-N 1 2 208.261 1.681 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ncc1F ZINC001140605771 960453889 /nfs/dbraw/zinc/45/38/89/960453889.db2.gz LEJVJBZDIXQURF-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)ncc1F ZINC001140605771 960453904 /nfs/dbraw/zinc/45/39/04/960453904.db2.gz LEJVJBZDIXQURF-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCCCO3)c[nH]1 ZINC001140706806 960512990 /nfs/dbraw/zinc/51/29/90/960512990.db2.gz LSTCASUTEFRXDK-UHFFFAOYSA-N 1 2 206.289 1.770 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1[nH]cc(C)c1C ZINC001140863800 960649105 /nfs/dbraw/zinc/64/91/05/960649105.db2.gz CLHUIPMKCMWASL-GFCCVEGCSA-N 1 2 238.331 1.479 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1[nH]cc(C)c1C ZINC001140863800 960649118 /nfs/dbraw/zinc/64/91/18/960649118.db2.gz CLHUIPMKCMWASL-GFCCVEGCSA-N 1 2 238.331 1.479 20 0 BDADLO C[C@@]1(O)CCCC[N@H+](Cc2csnn2)C1 ZINC001140992456 960777685 /nfs/dbraw/zinc/77/76/85/960777685.db2.gz DETXJFKBRDAGJV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO C[C@@]1(O)CCCC[N@@H+](Cc2csnn2)C1 ZINC001140992456 960777692 /nfs/dbraw/zinc/77/76/92/960777692.db2.gz DETXJFKBRDAGJV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CCCCc1[nH]cc(CN2CC(C)(CO)C2)[nH+]1 ZINC001141067653 960862735 /nfs/dbraw/zinc/86/27/35/960862735.db2.gz KNIZLEUURPUBFF-UHFFFAOYSA-N 1 2 237.347 1.567 20 0 BDADLO COCC(C)(C)Nc1cc(N(C)C)[nH+]cn1 ZINC001156455634 963359721 /nfs/dbraw/zinc/35/97/21/963359721.db2.gz OGSKMCKWJJSWSO-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO C/C=C(/CC)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156538410 963381960 /nfs/dbraw/zinc/38/19/60/963381960.db2.gz UHRFQLUNEBOMMW-WTKPLQERSA-N 1 2 221.304 1.945 20 0 BDADLO CC=C(CC)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156538410 963381964 /nfs/dbraw/zinc/38/19/64/963381964.db2.gz UHRFQLUNEBOMMW-WTKPLQERSA-N 1 2 221.304 1.945 20 0 BDADLO CCOC(=O)c1nc(NC=[NH2+])ccc1Cl ZINC001157076999 963520917 /nfs/dbraw/zinc/52/09/17/963520917.db2.gz BQVYMQZBEXJHMS-UHFFFAOYSA-N 1 2 227.651 1.931 20 0 BDADLO CCCOCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001157090294 963533410 /nfs/dbraw/zinc/53/34/10/963533410.db2.gz XANIMEBQHDYTNQ-UHFFFAOYSA-N 1 2 239.323 1.085 20 0 BDADLO CCN(CC)c1cc(NC[C@H](C)OC)[nH+]cn1 ZINC001158808113 963930469 /nfs/dbraw/zinc/93/04/69/963930469.db2.gz LGNZBTNETFYEOR-JTQLQIEISA-N 1 2 238.335 1.770 20 0 BDADLO CCN(CC)c1cc(NC[C@H](C)OC)nc[nH+]1 ZINC001158808113 963930474 /nfs/dbraw/zinc/93/04/74/963930474.db2.gz LGNZBTNETFYEOR-JTQLQIEISA-N 1 2 238.335 1.770 20 0 BDADLO CCCc1cc(N(C)C2(C)COC2)nc(C)[nH+]1 ZINC001166985739 966507101 /nfs/dbraw/zinc/50/71/01/966507101.db2.gz JFVPTGREQPZHGL-UHFFFAOYSA-N 1 2 235.331 1.963 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001204548019 967046021 /nfs/dbraw/zinc/04/60/21/967046021.db2.gz WWLOCFWMPOOIKK-NSHDSACASA-N 1 2 224.329 1.898 20 0 BDADLO c1csc(C[N@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001204548019 967046033 /nfs/dbraw/zinc/04/60/33/967046033.db2.gz WWLOCFWMPOOIKK-NSHDSACASA-N 1 2 224.329 1.898 20 0 BDADLO Cc1[nH]c(CN2CC[C@@](N)(C(F)(F)F)C2)c[nH+]1 ZINC001206244993 968166363 /nfs/dbraw/zinc/16/63/63/968166363.db2.gz OWOPTNPIRPDSAF-VIFPVBQESA-N 1 2 248.252 1.184 20 0 BDADLO Cc1[nH]cc(CN2CC[C@@](N)(C(F)(F)F)C2)[nH+]1 ZINC001206244993 968166374 /nfs/dbraw/zinc/16/63/74/968166374.db2.gz OWOPTNPIRPDSAF-VIFPVBQESA-N 1 2 248.252 1.184 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2ncccc2C1)C(F)(F)F ZINC001250972388 968229777 /nfs/dbraw/zinc/22/97/77/968229777.db2.gz IHEQFJIACZOPPT-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO O[C@@H](C[N@H+]1CCc2ncccc2C1)C(F)(F)F ZINC001250972388 968229785 /nfs/dbraw/zinc/22/97/85/968229785.db2.gz IHEQFJIACZOPPT-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO CCOC[C@@H](O)CNc1ccc(C)[nH+]c1C ZINC001252014675 968439100 /nfs/dbraw/zinc/43/91/00/968439100.db2.gz HDRXRZBIUVIBFE-NSHDSACASA-N 1 2 224.304 1.508 20 0 BDADLO Cc1ccc(C(N)=O)c(NC(=[NH2+])C(C)(C)C)n1 ZINC001155180154 968916887 /nfs/dbraw/zinc/91/68/87/968916887.db2.gz JKILFNUBVBMLAN-UHFFFAOYSA-N 1 2 234.303 1.924 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001252778410 968953180 /nfs/dbraw/zinc/95/31/80/968953180.db2.gz KMTDVYBZDCQTDZ-NXEZZACHSA-N 1 2 237.290 1.239 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001252778410 968953191 /nfs/dbraw/zinc/95/31/91/968953191.db2.gz KMTDVYBZDCQTDZ-NXEZZACHSA-N 1 2 237.290 1.239 20 0 BDADLO COc1ccc(/C(C)=C/C=C/[NH3+])c(OC)n1 ZINC001241575493 969065648 /nfs/dbraw/zinc/06/56/48/969065648.db2.gz IWBXAARSZZBQOP-KBXRYBNXSA-N 1 2 220.272 1.975 20 0 BDADLO CC(=O)OC(C)(C)CCC[N@@H+]1CCCC(=O)C1 ZINC001209152587 969357002 /nfs/dbraw/zinc/35/70/02/969357002.db2.gz BKVWAMGENZYMLG-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CC(=O)OC(C)(C)CCC[N@H+]1CCCC(=O)C1 ZINC001209152587 969357017 /nfs/dbraw/zinc/35/70/17/969357017.db2.gz BKVWAMGENZYMLG-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001253756838 969374326 /nfs/dbraw/zinc/37/43/26/969374326.db2.gz KCUYLLBCLJJRPK-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001253758261 969377255 /nfs/dbraw/zinc/37/72/55/969377255.db2.gz WXKWOXQRHAUSGU-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001253758261 969377257 /nfs/dbraw/zinc/37/72/57/969377257.db2.gz WXKWOXQRHAUSGU-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO COC(=O)C1([NH2+]C2CCC(F)(F)CC2)CC1 ZINC001254207467 969539537 /nfs/dbraw/zinc/53/95/37/969539537.db2.gz BWYNVPSMBVIEQR-UHFFFAOYSA-N 1 2 233.258 1.860 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCC[C@@H]1CO ZINC001209553199 969539664 /nfs/dbraw/zinc/53/96/64/969539664.db2.gz RDMCYLNPRGJFMB-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO CC(C)(C)N1CC[N@@H+]([C@@H]2CCCOC2)CC1=O ZINC001254381994 969596983 /nfs/dbraw/zinc/59/69/83/969596983.db2.gz BDECAHLHTYZJMH-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)(C)N1CC[N@H+]([C@@H]2CCCOC2)CC1=O ZINC001254381994 969596989 /nfs/dbraw/zinc/59/69/89/969596989.db2.gz BDECAHLHTYZJMH-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001169462378 969665229 /nfs/dbraw/zinc/66/52/29/969665229.db2.gz FJWQXJDQGFXYOZ-GARJFASQSA-N 1 2 248.317 1.625 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001169462378 969665237 /nfs/dbraw/zinc/66/52/37/969665237.db2.gz FJWQXJDQGFXYOZ-GARJFASQSA-N 1 2 248.317 1.625 20 0 BDADLO COC(=O)C1([NH2+]C2CCC(OC)CC2)CC1 ZINC001255443500 970177668 /nfs/dbraw/zinc/17/76/68/970177668.db2.gz WHTDPBNMLFKQHM-UHFFFAOYSA-N 1 2 227.304 1.239 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001255655695 970434967 /nfs/dbraw/zinc/43/49/67/970434967.db2.gz MRVNIEQLFCGGBI-BIIVOSGPSA-N 1 2 209.211 1.800 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001255655695 970434977 /nfs/dbraw/zinc/43/49/77/970434977.db2.gz MRVNIEQLFCGGBI-BIIVOSGPSA-N 1 2 209.211 1.800 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1cccn1C ZINC001203254253 975058211 /nfs/dbraw/zinc/05/82/11/975058211.db2.gz OGRPMWHHEKIHBN-JTQLQIEISA-N 1 2 206.289 1.579 20 0 BDADLO CC[NH+]1CC(Oc2ccc(OC)nc2)C1 ZINC001228056223 975879194 /nfs/dbraw/zinc/87/91/94/975879194.db2.gz QTYALHBVEUQRKW-UHFFFAOYSA-N 1 2 208.261 1.173 20 0 BDADLO Cc1cc(F)cc(N2CCC(CO)CC2)[nH+]1 ZINC001336462974 977696920 /nfs/dbraw/zinc/69/69/20/977696920.db2.gz XPRKSEDZESJDQW-UHFFFAOYSA-N 1 2 224.279 1.738 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]1 ZINC001336569469 977788579 /nfs/dbraw/zinc/78/85/79/977788579.db2.gz NKXTVPXFJUOLSL-VHSXEESVSA-N 1 2 224.279 1.736 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1nc(Cl)ccc1F ZINC001232155508 977897696 /nfs/dbraw/zinc/89/76/96/977897696.db2.gz NXONNDUNNOFVIS-MRVPVSSYSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1nc(Cl)ccc1F ZINC001232155508 977897700 /nfs/dbraw/zinc/89/77/00/977897700.db2.gz NXONNDUNNOFVIS-MRVPVSSYSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1nc(Cl)ccc1F ZINC001232155509 977898779 /nfs/dbraw/zinc/89/87/79/977898779.db2.gz NXONNDUNNOFVIS-QMMMGPOBSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1nc(Cl)ccc1F ZINC001232155509 977898780 /nfs/dbraw/zinc/89/87/80/977898780.db2.gz NXONNDUNNOFVIS-QMMMGPOBSA-N 1 2 244.697 1.831 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC[C@H](O)C2)s1 ZINC001232243183 977969205 /nfs/dbraw/zinc/96/92/05/977969205.db2.gz SYOOMFSPNIOHRA-VIFPVBQESA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC[C@H](O)C2)s1 ZINC001232243183 977969212 /nfs/dbraw/zinc/96/92/12/977969212.db2.gz SYOOMFSPNIOHRA-VIFPVBQESA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[NH+]2CC3CC(C3)C2)s1 ZINC001232246454 977975149 /nfs/dbraw/zinc/97/51/49/977975149.db2.gz JTHZJETURCZWJE-UHFFFAOYSA-N 1 2 209.318 1.688 20 0 BDADLO Cc1[nH]c(CN2CC[C@@](C)(F)[C@@H](F)C2)c[nH+]1 ZINC001232459994 978091683 /nfs/dbraw/zinc/09/16/83/978091683.db2.gz LETQTRLCTNSRQV-WDEREUQCSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1[nH]cc(CN2CC[C@@](C)(F)[C@@H](F)C2)[nH+]1 ZINC001232459994 978091693 /nfs/dbraw/zinc/09/16/93/978091693.db2.gz LETQTRLCTNSRQV-WDEREUQCSA-N 1 2 229.274 1.990 20 0 BDADLO CCOC1C[NH+](Cc2cc(C)cc(O)c2)C1 ZINC001232879069 978314625 /nfs/dbraw/zinc/31/46/25/978314625.db2.gz ARXAUBDRTVCKON-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO CCC[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001337484523 978367342 /nfs/dbraw/zinc/36/73/42/978367342.db2.gz ZZYXAOZBOWMPOQ-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001337484523 978367362 /nfs/dbraw/zinc/36/73/62/978367362.db2.gz ZZYXAOZBOWMPOQ-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001337586735 978419917 /nfs/dbraw/zinc/41/99/17/978419917.db2.gz VGLDPECNDXWJFK-NSHDSACASA-N 1 2 207.277 1.083 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@@]12CCOC2 ZINC001337586735 978419921 /nfs/dbraw/zinc/41/99/21/978419921.db2.gz VGLDPECNDXWJFK-NSHDSACASA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@]12CCOC2 ZINC001337586735 978419928 /nfs/dbraw/zinc/41/99/28/978419928.db2.gz VGLDPECNDXWJFK-NSHDSACASA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@]12CCOC2 ZINC001337586735 978419934 /nfs/dbraw/zinc/41/99/34/978419934.db2.gz VGLDPECNDXWJFK-NSHDSACASA-N 1 2 207.277 1.083 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233449497 978608782 /nfs/dbraw/zinc/60/87/82/978608782.db2.gz GUBYZOQISDMUKI-WPRPVWTQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cncc(Cl)n1 ZINC001233449497 978608788 /nfs/dbraw/zinc/60/87/88/978608788.db2.gz GUBYZOQISDMUKI-WPRPVWTQSA-N 1 2 241.722 1.475 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000069862891 978766748 /nfs/dbraw/zinc/76/67/48/978766748.db2.gz UCAHCZWLTRSBOX-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO CC(=O)c1ncccc1NC(=O)[C@H](C)[NH+](C)C ZINC001180861340 978956130 /nfs/dbraw/zinc/95/61/30/978956130.db2.gz WMXJTAQFROOEQN-QMMMGPOBSA-N 1 2 235.287 1.173 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCOCC1(C)C ZINC001235542214 979082839 /nfs/dbraw/zinc/08/28/39/979082839.db2.gz GWWWJRBUZFXBKP-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCOCC1(C)C ZINC001235542214 979082849 /nfs/dbraw/zinc/08/28/49/979082849.db2.gz GWWWJRBUZFXBKP-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO C[N@H+](CCO)Cc1cc(Cl)cnc1F ZINC001236256070 979476296 /nfs/dbraw/zinc/47/62/96/979476296.db2.gz KJRWVMHGFLIMMH-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@@H+](CCO)Cc1cc(Cl)cnc1F ZINC001236256070 979476300 /nfs/dbraw/zinc/47/63/00/979476300.db2.gz KJRWVMHGFLIMMH-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@H+](CCO)Cc1cnc(F)cc1Cl ZINC001236256855 979476823 /nfs/dbraw/zinc/47/68/23/979476823.db2.gz TUTUSJCBMTXXLE-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@@H+](CCO)Cc1cnc(F)cc1Cl ZINC001236256855 979476828 /nfs/dbraw/zinc/47/68/28/979476828.db2.gz TUTUSJCBMTXXLE-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO CC[C@](C)(CC(=O)[O-])[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC001604903869 979759976 /nfs/dbraw/zinc/75/99/76/979759976.db2.gz VUTKNFQKPINUGI-GFCCVEGCSA-N 1 2 239.319 1.760 20 0 BDADLO O=c1[nH]c(Cl)c(C[NH+]2CCC2)s1 ZINC001237155437 979824733 /nfs/dbraw/zinc/82/47/33/979824733.db2.gz UPEPAFPAQJHSPV-UHFFFAOYSA-N 1 2 204.682 1.708 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2nc(C)co2)C1 ZINC001237635186 979980755 /nfs/dbraw/zinc/98/07/55/979980755.db2.gz JYBFFYWDUCFIMN-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)co2)C1 ZINC001237635186 979980763 /nfs/dbraw/zinc/98/07/63/979980763.db2.gz JYBFFYWDUCFIMN-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO Cc1coc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC001237634104 979983642 /nfs/dbraw/zinc/98/36/42/979983642.db2.gz CSKPEYGVRRXZTB-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO Cc1coc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC001237634104 979983652 /nfs/dbraw/zinc/98/36/52/979983652.db2.gz CSKPEYGVRRXZTB-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NC2C[NH+](C)C2)C1 ZINC001184513353 980102062 /nfs/dbraw/zinc/10/20/62/980102062.db2.gz UOLLNWPGVQMHCN-UWVGGRQHSA-N 1 2 210.321 1.243 20 0 BDADLO COc1ncc(-c2c[nH+]cn2C)cc1F ZINC001239506571 980672707 /nfs/dbraw/zinc/67/27/07/980672707.db2.gz DFPFRUPPGZKALF-UHFFFAOYSA-N 1 2 207.208 1.630 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC(F)CC1 ZINC001348120841 981289779 /nfs/dbraw/zinc/28/97/79/981289779.db2.gz RQOUWQURWOQHDS-UHFFFAOYSA-N 1 2 239.294 1.313 20 0 BDADLO C[C@H](Cc1nnc(C[NH+](C)C)o1)[C@@H]1CCCO1 ZINC001348435811 981360614 /nfs/dbraw/zinc/36/06/14/981360614.db2.gz IHSMLEYAXQQMKA-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO CNc1cc(N[C@H](C)[C@H]2CCOC2)[nH+]cn1 ZINC000158788743 981414714 /nfs/dbraw/zinc/41/47/14/981414714.db2.gz SKBSUSCZLNHEII-BDAKNGLRSA-N 1 2 222.292 1.355 20 0 BDADLO CC[C@@H](C)OC(=O)N1CC[NH+](CCOC)CC1 ZINC001195087737 982075776 /nfs/dbraw/zinc/07/57/76/982075776.db2.gz ITKPREFTGVNVTO-LLVKDONJSA-N 1 2 244.335 1.186 20 0 BDADLO Cc1cc(-c2ccc[nH]c2=O)c[nH+]c1N ZINC001241118673 982240726 /nfs/dbraw/zinc/24/07/26/982240726.db2.gz HDKYOVJDRUJHRY-UHFFFAOYSA-N 1 2 201.229 1.740 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@](C)(CC)OC)C1CC1 ZINC001352865250 982600433 /nfs/dbraw/zinc/60/04/33/982600433.db2.gz YNEUDLKNHVPWLC-WCQYABFASA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1noc(C(F)F)n1 ZINC001353340035 982841861 /nfs/dbraw/zinc/84/18/61/982841861.db2.gz MMZWLHJIIUJWNN-NGJCXOISSA-N 1 2 235.234 1.427 20 0 BDADLO CC(C)(C)[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001353977686 983104642 /nfs/dbraw/zinc/10/46/42/983104642.db2.gz KMEJLZHFQXYNRB-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@H](C)C[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001201501694 983273955 /nfs/dbraw/zinc/27/39/55/983273955.db2.gz LGGVORRSDRSSFZ-AEJSXWLSSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C)C[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001201501694 983273974 /nfs/dbraw/zinc/27/39/74/983273974.db2.gz LGGVORRSDRSSFZ-AEJSXWLSSA-N 1 2 217.284 1.618 20 0 BDADLO CC[N@H+](CC[NH3+])[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596329518 983767483 /nfs/dbraw/zinc/76/74/83/983767483.db2.gz WAMACAKKFDZUMN-NSHDSACASA-N 1 2 240.278 1.232 20 0 BDADLO CC[N@@H+](CC[NH3+])[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596329518 983767485 /nfs/dbraw/zinc/76/74/85/983767485.db2.gz WAMACAKKFDZUMN-NSHDSACASA-N 1 2 240.278 1.232 20 0 BDADLO CC[C@@]1(O)CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001331743519 974811890 /nfs/dbraw/zinc/81/18/90/974811890.db2.gz NJAFIBLJRVDLAW-GFCCVEGCSA-N 1 2 223.320 1.455 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001331743519 974811893 /nfs/dbraw/zinc/81/18/93/974811893.db2.gz NJAFIBLJRVDLAW-GFCCVEGCSA-N 1 2 223.320 1.455 20 0 BDADLO Cn1c[nH+]cc1COC[C@@H]1CCC(C)(C)O1 ZINC001222588476 972593376 /nfs/dbraw/zinc/59/33/76/972593376.db2.gz YXGGLMQZMGTRLK-NSHDSACASA-N 1 2 224.304 1.894 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC/C=C\C1CC1 ZINC001328396190 972998806 /nfs/dbraw/zinc/99/88/06/972998806.db2.gz UQTBNIVQMUHJSP-UPHRSURJSA-N 1 2 205.261 1.035 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2ccco2)[nH+]1 ZINC001147096137 973432671 /nfs/dbraw/zinc/43/26/71/973432671.db2.gz AROJCPCLZDKFAT-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO CN(C)C(=O)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243477403 970771430 /nfs/dbraw/zinc/77/14/30/970771430.db2.gz MSGSJWRLCZYMSH-UHFFFAOYSA-N 1 2 242.282 1.428 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001256532252 970858351 /nfs/dbraw/zinc/85/83/51/970858351.db2.gz IFWCJERTDMKMPU-GRYCIOLGSA-N 1 2 235.331 1.997 20 0 BDADLO C[C@H]([NH2+]Cc1ncnn1CCF)c1cccnc1 ZINC001256566666 970864466 /nfs/dbraw/zinc/86/44/66/970864466.db2.gz FZIVPMOUIFLPLR-JTQLQIEISA-N 1 2 249.293 1.493 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001256657799 970905681 /nfs/dbraw/zinc/90/56/81/970905681.db2.gz MVIMXBHTWFUSAV-CBAPKCEASA-N 1 2 218.260 1.517 20 0 BDADLO C[C@H](c1nnc([C@H]2C[C@@H]2C)o1)n1cc[nH+]c1 ZINC001256660350 970906687 /nfs/dbraw/zinc/90/66/87/970906687.db2.gz VKKYVTKFWRBTDU-YIZRAAEISA-N 1 2 218.260 1.999 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1[C@@H](C)Cc1ccncc1 ZINC001256734802 970954966 /nfs/dbraw/zinc/95/49/66/970954966.db2.gz CKZFMTPJMBENLP-JQWIXIFHSA-N 1 2 234.299 1.260 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1[C@@H](C)Cc1ccncc1 ZINC001256734802 970954970 /nfs/dbraw/zinc/95/49/70/970954970.db2.gz CKZFMTPJMBENLP-JQWIXIFHSA-N 1 2 234.299 1.260 20 0 BDADLO CC(C)c1nnc(NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC000101666541 970985764 /nfs/dbraw/zinc/98/57/64/970985764.db2.gz XRQPOANYNYVIBT-UHFFFAOYSA-N 1 2 239.323 1.207 20 0 BDADLO CC(C)c1nnc(NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC000101666541 970985776 /nfs/dbraw/zinc/98/57/76/970985776.db2.gz XRQPOANYNYVIBT-UHFFFAOYSA-N 1 2 239.323 1.207 20 0 BDADLO CCC1CCC([NH2+][C@H](CO)C(=O)OC)CC1 ZINC001256866122 971000655 /nfs/dbraw/zinc/00/06/55/971000655.db2.gz XXRARWVNSMSYRQ-VQXHTEKXSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)C1([NH2+]C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001257074601 971087447 /nfs/dbraw/zinc/08/74/47/971087447.db2.gz QRPPLXRMALFRLG-UWVGGRQHSA-N 1 2 241.331 1.628 20 0 BDADLO C[C@@H]1CC([N@@H+]2CC[C@@H](O)C(F)(F)C2)C[C@@H](C)O1 ZINC001257100523 971114350 /nfs/dbraw/zinc/11/43/50/971114350.db2.gz XJWYZFAKAZMDCK-FXPVBKGRSA-N 1 2 249.301 1.644 20 0 BDADLO C[C@@H]1CC([N@H+]2CC[C@@H](O)C(F)(F)C2)C[C@@H](C)O1 ZINC001257100523 971114356 /nfs/dbraw/zinc/11/43/56/971114356.db2.gz XJWYZFAKAZMDCK-FXPVBKGRSA-N 1 2 249.301 1.644 20 0 BDADLO C[C@@]1(F)CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001170547626 971149967 /nfs/dbraw/zinc/14/99/67/971149967.db2.gz AZBWLNDZGRNBPB-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001170547626 971149976 /nfs/dbraw/zinc/14/99/76/971149976.db2.gz AZBWLNDZGRNBPB-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO CCn1cc(C[NH2+]Cc2cncc(C)c2)nn1 ZINC000404470810 971165698 /nfs/dbraw/zinc/16/56/98/971165698.db2.gz YSPBPACNSWAZOP-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCC[C@H](CC)[N@@H+]1CCN(C)C[C@H]1C(=O)OC ZINC001257268286 971170506 /nfs/dbraw/zinc/17/05/06/971170506.db2.gz FUMCGYRFKRKMOF-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@H](CC)[N@H+]1CCN(C)C[C@H]1C(=O)OC ZINC001257268286 971170512 /nfs/dbraw/zinc/17/05/12/971170512.db2.gz FUMCGYRFKRKMOF-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO O[C@@H](C[N@@H+]1CCCC(F)(F)C1)C1CC1 ZINC000405053628 971190538 /nfs/dbraw/zinc/19/05/38/971190538.db2.gz LHKRCLPMOPLTMK-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO O[C@@H](C[N@H+]1CCCC(F)(F)C1)C1CC1 ZINC000405053628 971190541 /nfs/dbraw/zinc/19/05/41/971190541.db2.gz LHKRCLPMOPLTMK-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO CCC[C@H](C)[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257326791 971227130 /nfs/dbraw/zinc/22/71/30/971227130.db2.gz CREKMSKDGNGGSQ-LBPRGKRZSA-N 1 2 247.342 1.919 20 0 BDADLO CCC[C@H](C)[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257326791 971227137 /nfs/dbraw/zinc/22/71/37/971227137.db2.gz CREKMSKDGNGGSQ-LBPRGKRZSA-N 1 2 247.342 1.919 20 0 BDADLO COc1ccc(C)[nH+]c1N(C)[C@H]1CCOC1 ZINC001158569829 971334346 /nfs/dbraw/zinc/33/43/46/971334346.db2.gz GXZQCWPTLSHHAS-JTQLQIEISA-N 1 2 222.288 1.624 20 0 BDADLO O[C@@H]1CC[NH2+][C@H](c2nnc(C3CCC3)o2)C1 ZINC001217696318 971334903 /nfs/dbraw/zinc/33/49/03/971334903.db2.gz NRAJDQWOEMNWLZ-BDAKNGLRSA-N 1 2 223.276 1.123 20 0 BDADLO CCCCCc1nnc([C@@H]([NH3+])CC(=O)OC)o1 ZINC001217697303 971335616 /nfs/dbraw/zinc/33/56/16/971335616.db2.gz FZIDRSPXHJDUJI-QMMMGPOBSA-N 1 2 241.291 1.365 20 0 BDADLO CCc1nnc([C@H]([NH3+])COC(C)(C)C)o1 ZINC001217701523 971337490 /nfs/dbraw/zinc/33/74/90/971337490.db2.gz SDAYBDDAMGAQLZ-SSDOTTSWSA-N 1 2 213.281 1.447 20 0 BDADLO CCCCCc1nnc([C@@H]([NH3+])COC(C)=O)o1 ZINC001217699785 971341100 /nfs/dbraw/zinc/34/11/00/971341100.db2.gz RYTHRVQEKSGWGG-VIFPVBQESA-N 1 2 241.291 1.365 20 0 BDADLO CCCCC[C@@H](C)[NH2+]Cc1noc(C(N)=O)n1 ZINC001257501808 971419904 /nfs/dbraw/zinc/41/99/04/971419904.db2.gz DYVOKCPOEPJZFV-MRVPVSSYSA-N 1 2 240.307 1.227 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)CC1(C)C ZINC001330532074 974296323 /nfs/dbraw/zinc/29/63/23/974296323.db2.gz CDOJKQYLCDMFFF-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)CC1(C)C ZINC001330532074 974296344 /nfs/dbraw/zinc/29/63/44/974296344.db2.gz CDOJKQYLCDMFFF-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO CCN1CC[C@H]([N@@H+]2CCCC(F)(F)C2)CC1=O ZINC001172042575 974316494 /nfs/dbraw/zinc/31/64/94/974316494.db2.gz MODDFMSCNVITDC-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO CCN1CC[C@H]([N@H+]2CCCC(F)(F)C2)CC1=O ZINC001172042575 974316510 /nfs/dbraw/zinc/31/65/10/974316510.db2.gz MODDFMSCNVITDC-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO Fc1cccc(O[C@@H]2C[NH2+]CC2(F)F)c1F ZINC001218232542 971643056 /nfs/dbraw/zinc/64/30/56/971643056.db2.gz RWZJSAIMPIFMQI-MRVPVSSYSA-N 1 2 235.180 1.951 20 0 BDADLO O[C@H]1C[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001218361186 971738432 /nfs/dbraw/zinc/73/84/32/971738432.db2.gz BSSSCPKVEIYXQC-AULYBMBSSA-N 1 2 230.267 1.774 20 0 BDADLO O[C@H]1C[C@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001218363822 971743887 /nfs/dbraw/zinc/74/38/87/971743887.db2.gz GMUJHSKJGYVEFC-UMSPYCQHSA-N 1 2 230.267 1.979 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001172322981 974534412 /nfs/dbraw/zinc/53/44/12/974534412.db2.gz ZPAQWZAPIIMTLH-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cc(-c2ncnc3ncccc32)c[nH+]c1N ZINC001245536569 971848419 /nfs/dbraw/zinc/84/84/19/971848419.db2.gz SCUFDMJMKDBJCU-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cc1cc(-c2cccc(N)n2)c[nH+]c1N ZINC001245535905 971849390 /nfs/dbraw/zinc/84/93/90/971849390.db2.gz HSGJGDYEFAKPDU-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO Cn1nncc1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001324710917 971860164 /nfs/dbraw/zinc/86/01/64/971860164.db2.gz PINVZUMBQWVIFB-UHFFFAOYSA-N 1 2 246.289 1.554 20 0 BDADLO CC[C@@H](CCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000217830584 971882448 /nfs/dbraw/zinc/88/24/48/971882448.db2.gz ZJENQKCOWAHSCT-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@H](CCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000217830659 971881987 /nfs/dbraw/zinc/88/19/87/971881987.db2.gz ZJENQKCOWAHSCT-NXEZZACHSA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000217830388 971882417 /nfs/dbraw/zinc/88/24/17/971882417.db2.gz ZJENQKCOWAHSCT-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO O=C(Nc1cn[nH]n1)Nc1ccc2[nH+]ccn2c1 ZINC001219557098 972027037 /nfs/dbraw/zinc/02/70/37/972027037.db2.gz QCBJYNCPLFVRAI-UHFFFAOYSA-N 1 2 243.230 1.096 20 0 BDADLO C[C@H]1CCCC[C@@H]1CNC(=O)C1(F)C[NH2+]C1 ZINC001219673650 972076740 /nfs/dbraw/zinc/07/67/40/972076740.db2.gz LVCHTFKGRPGGQL-VHSXEESVSA-N 1 2 228.311 1.240 20 0 BDADLO [NH3+]CCC[C@@H]([NH3+])Nc1cc([S-])cc(S)c1 ZINC001170905140 972079439 /nfs/dbraw/zinc/07/94/39/972079439.db2.gz STKDJCJHXWJMBF-JTQLQIEISA-N 1 2 243.401 1.700 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1Cc1ccccc1F ZINC001245926671 972101222 /nfs/dbraw/zinc/10/12/22/972101222.db2.gz DPMFVFNWQYJIRJ-UHFFFAOYSA-N 1 2 247.273 1.463 20 0 BDADLO CC[C@@H](CC(C)C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172403094 974653724 /nfs/dbraw/zinc/65/37/24/974653724.db2.gz YBKQLWUXULIONQ-AAEUAGOBSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220240077 972192736 /nfs/dbraw/zinc/19/27/36/972192736.db2.gz DNAOOHCYYOGFCA-IUCAKERBSA-N 1 2 216.300 1.239 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)O)ccc1-n1cc[nH+]c1 ZINC001136624988 972216511 /nfs/dbraw/zinc/21/65/11/972216511.db2.gz TUCNNJWENVMKIO-SNVBAGLBSA-N 1 2 245.282 1.500 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccccn2)CCC1=O ZINC001204055446 972220717 /nfs/dbraw/zinc/22/07/17/972220717.db2.gz GLJSJDZFHNZOIM-NSHDSACASA-N 1 2 218.300 1.883 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccccn2)CCC1=O ZINC001204055446 972220721 /nfs/dbraw/zinc/22/07/21/972220721.db2.gz GLJSJDZFHNZOIM-NSHDSACASA-N 1 2 218.300 1.883 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000705275124 957028057 /nfs/dbraw/zinc/02/80/57/957028057.db2.gz FNZCEYNIZNQTIE-WPRPVWTQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000705275124 957028072 /nfs/dbraw/zinc/02/80/72/957028072.db2.gz FNZCEYNIZNQTIE-WPRPVWTQSA-N 1 2 241.722 1.475 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)c(O)c(F)c1 ZINC000092456077 957041910 /nfs/dbraw/zinc/04/19/10/957041910.db2.gz AGKAOZABAILFFB-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(F)c(O)c(F)c1 ZINC000092456077 957041929 /nfs/dbraw/zinc/04/19/29/957041929.db2.gz AGKAOZABAILFFB-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO c1cn2ccc(NC3=CCOC3)cc2[nH+]1 ZINC001203386209 957111139 /nfs/dbraw/zinc/11/11/39/957111139.db2.gz KHYKAMCIQYNPJZ-UHFFFAOYSA-N 1 2 201.229 1.660 20 0 BDADLO OC1C[NH+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171037341 972261012 /nfs/dbraw/zinc/26/10/12/972261012.db2.gz KXDSYDKPDBMBOT-JTQLQIEISA-N 1 2 237.730 1.874 20 0 BDADLO Cc1nnc(Nc2ccc3[nH]c[nH+]c3c2)o1 ZINC001209841356 957541541 /nfs/dbraw/zinc/54/15/41/957541541.db2.gz KMWMNSCAGOTVKF-UHFFFAOYSA-N 1 2 215.216 1.998 20 0 BDADLO c1ncc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)[nH]1 ZINC001136866333 972282644 /nfs/dbraw/zinc/28/26/44/972282644.db2.gz RPRGKFQBEMYTEJ-JQWIXIFHSA-N 1 2 221.304 1.411 20 0 BDADLO C(C[NH+]1CCOCC1)O[C@@H]1CC2CCC1CC2 ZINC001210208111 957673207 /nfs/dbraw/zinc/67/32/07/957673207.db2.gz RJNWPUGGPDVVIT-JXQTWKCFSA-N 1 2 239.359 1.914 20 0 BDADLO C(C[NH+]1CCOCC1)O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001210225786 957689299 /nfs/dbraw/zinc/68/92/99/957689299.db2.gz ZTQRADKJPLJIRZ-FRRDWIJNSA-N 1 2 225.332 1.524 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001136874723 972287419 /nfs/dbraw/zinc/28/74/19/972287419.db2.gz DAACLSQFZWTMKT-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001136874723 972287425 /nfs/dbraw/zinc/28/74/25/972287425.db2.gz DAACLSQFZWTMKT-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCC=CO1)Cn1cc[nH+]c1 ZINC001136892736 972295067 /nfs/dbraw/zinc/29/50/67/972295067.db2.gz IFEURHBYGOYXQG-VXGBXAGGSA-N 1 2 249.314 1.328 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C\Cl)C(C)(C)C1 ZINC000588384290 957846281 /nfs/dbraw/zinc/84/62/81/957846281.db2.gz AARSJZYYXYDGTP-PLNGDYQASA-N 1 2 230.739 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C\Cl)C(C)(C)C1 ZINC000588384290 957846283 /nfs/dbraw/zinc/84/62/83/957846283.db2.gz AARSJZYYXYDGTP-PLNGDYQASA-N 1 2 230.739 1.682 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCCC1=O ZINC001207064826 957903739 /nfs/dbraw/zinc/90/37/39/957903739.db2.gz DUVHCHXDTTVRBT-JTQLQIEISA-N 1 2 234.299 1.588 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCCC1=O ZINC001207064826 957903745 /nfs/dbraw/zinc/90/37/45/957903745.db2.gz DUVHCHXDTTVRBT-JTQLQIEISA-N 1 2 234.299 1.588 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207073913 957918097 /nfs/dbraw/zinc/91/80/97/957918097.db2.gz NODFFZRUKNNRSY-LBPRGKRZSA-N 1 2 234.299 1.731 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207073913 957918108 /nfs/dbraw/zinc/91/81/08/957918108.db2.gz NODFFZRUKNNRSY-LBPRGKRZSA-N 1 2 234.299 1.731 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136979764 972309453 /nfs/dbraw/zinc/30/94/53/972309453.db2.gz QCDJBGVGCRLZCI-UHFFFAOYSA-N 1 2 234.274 1.874 20 0 BDADLO O[C@H]1C[N@H+](Cc2cncc(Cl)c2)CC[C@H]1F ZINC001136989778 972313738 /nfs/dbraw/zinc/31/37/38/972313738.db2.gz SBXOGVCFBBSAGN-MNOVXSKESA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@H]1F ZINC001136989778 972313741 /nfs/dbraw/zinc/31/37/41/972313741.db2.gz SBXOGVCFBBSAGN-MNOVXSKESA-N 1 2 244.697 1.640 20 0 BDADLO CC(=O)N1CC(Nc2c[nH+]c(C)c(C)c2)C1 ZINC001171078048 972320890 /nfs/dbraw/zinc/32/08/90/972320890.db2.gz PXLRXUKARNGAIE-UHFFFAOYSA-N 1 2 219.288 1.341 20 0 BDADLO [NH3+]CCCCNC(=O)Cc1ccc(S)cc1 ZINC001221348474 972327446 /nfs/dbraw/zinc/32/74/46/972327446.db2.gz ZBYQOSPPFVHQOC-UHFFFAOYSA-N 1 2 238.356 1.373 20 0 BDADLO Cc1c[nH+]cc(Nc2cccnc2C(N)=O)c1C ZINC001213525281 958202103 /nfs/dbraw/zinc/20/21/03/958202103.db2.gz QCVQLPRGIAHKDP-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Fc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398356207 958229247 /nfs/dbraw/zinc/22/92/47/958229247.db2.gz HVQZKJAKOAVDEF-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001137022212 972330607 /nfs/dbraw/zinc/33/06/07/972330607.db2.gz WPWQNLNWESQAEA-UHFFFAOYSA-N 1 2 233.311 1.938 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3ccncn3)C2)C1 ZINC001140346981 958256891 /nfs/dbraw/zinc/25/68/91/958256891.db2.gz UAYSZDWVCDYUKB-UHFFFAOYSA-N 1 2 225.242 1.708 20 0 BDADLO Cc1ccc2c(c1)CCN(c1cc(N)nc[nH+]1)C2 ZINC001348115569 958269916 /nfs/dbraw/zinc/26/99/16/958269916.db2.gz FHAVUOKKWLGAFM-UHFFFAOYSA-N 1 2 240.310 1.930 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC23COC3)cn1 ZINC001137036511 972339361 /nfs/dbraw/zinc/33/93/61/972339361.db2.gz SNEVJQQKBMBTHX-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccc(C[N@H+]2CCCC23COC3)cn1 ZINC001137036511 972339369 /nfs/dbraw/zinc/33/93/69/972339369.db2.gz SNEVJQQKBMBTHX-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO CC(C)(C)c1cn(Cc2nnnn2C2CC2)c[nH+]1 ZINC001348536373 958406335 /nfs/dbraw/zinc/40/63/35/958406335.db2.gz CXIJVGHTOKQITH-UHFFFAOYSA-N 1 2 246.318 1.550 20 0 BDADLO C[C@H](Cc1cnn(C)c1)c1nnc(C[NH+](C)C)o1 ZINC001327041919 972375106 /nfs/dbraw/zinc/37/51/06/972375106.db2.gz IMRAWMXJSABDJM-SECBINFHSA-N 1 2 249.318 1.211 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)cc(F)cc2F)C[C@@H]1O ZINC001140530101 958792581 /nfs/dbraw/zinc/79/25/81/958792581.db2.gz PUCHIDJNSHVTKG-MADCSZMMSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)cc(F)cc2F)C[C@@H]1O ZINC001140530101 958792598 /nfs/dbraw/zinc/79/25/98/958792598.db2.gz PUCHIDJNSHVTKG-MADCSZMMSA-N 1 2 245.244 1.917 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001349734767 958793445 /nfs/dbraw/zinc/79/34/45/958793445.db2.gz HZANXRONJBAIND-VXGBXAGGSA-N 1 2 247.342 1.895 20 0 BDADLO c1cn(CCO[C@H]2CCc3cccnc32)c[nH+]1 ZINC001222134210 972381336 /nfs/dbraw/zinc/38/13/36/972381336.db2.gz BTWPTMNGWPRDJW-LBPRGKRZSA-N 1 2 229.283 1.982 20 0 BDADLO OCC1C[NH+](Cc2csc(Cl)c2)C1 ZINC000306797734 958858956 /nfs/dbraw/zinc/85/89/56/958858956.db2.gz ZDHDIQNTBDWSLZ-UHFFFAOYSA-N 1 2 217.721 1.826 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(F)c1F ZINC001143903097 972386541 /nfs/dbraw/zinc/38/65/41/972386541.db2.gz RBFLXGYPKMMUKA-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](O)C2)c(F)c1F ZINC001143903097 972386545 /nfs/dbraw/zinc/38/65/45/972386545.db2.gz RBFLXGYPKMMUKA-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO C[C@H]1C[C@@H](OCCn2cc[nH+]c2)CCO1 ZINC001222139825 972387021 /nfs/dbraw/zinc/38/70/21/972387021.db2.gz XRKJBHDZFCCVNE-QWRGUYRKSA-N 1 2 210.277 1.467 20 0 BDADLO Cc1cn2c(n1)[C@@H](OCCn1cc[nH+]c1)CCC2 ZINC001222138798 972387420 /nfs/dbraw/zinc/38/74/20/972387420.db2.gz KIRSCQHQRRHRAQ-LBPRGKRZSA-N 1 2 246.314 1.940 20 0 BDADLO C[C@@H]1C[C@H](OCCn2cc[nH+]c2)CCO1 ZINC001222139822 972388018 /nfs/dbraw/zinc/38/80/18/972388018.db2.gz XRKJBHDZFCCVNE-GHMZBOCLSA-N 1 2 210.277 1.467 20 0 BDADLO c1cn(CCOCCOC2CCCC2)c[nH+]1 ZINC001222139487 972388710 /nfs/dbraw/zinc/38/87/10/972388710.db2.gz UIYJMBOPMVQJES-UHFFFAOYSA-N 1 2 224.304 1.859 20 0 BDADLO CO[C@H]1CCCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222139703 972389232 /nfs/dbraw/zinc/38/92/32/972389232.db2.gz UUCKJZFNYCHADX-RYUDHWBXSA-N 1 2 224.304 1.857 20 0 BDADLO CCOC(=O)CN(CC)Cc1[nH]c[nH+]c1C ZINC001204592855 958996702 /nfs/dbraw/zinc/99/67/02/958996702.db2.gz SDRODCWNBQDQPO-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO COc1nccc(NCc2cc[nH+]c(N)c2)n1 ZINC001167612414 959061646 /nfs/dbraw/zinc/06/16/46/959061646.db2.gz FJQQYOWARUBFKA-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Nc1cc(CNc2ncc3c(n2)CCC3)cc[nH+]1 ZINC001167615096 959077318 /nfs/dbraw/zinc/07/73/18/959077318.db2.gz YIYQIJKSPZUCSH-UHFFFAOYSA-N 1 2 241.298 1.555 20 0 BDADLO Cc1ncccc1NCc1cc[nH+]c(N)c1 ZINC001167617341 959081431 /nfs/dbraw/zinc/08/14/31/959081431.db2.gz ZPRXTRKPSIYYIZ-UHFFFAOYSA-N 1 2 214.272 1.979 20 0 BDADLO Cc1cncnc1NCc1cc[nH+]c(N)c1 ZINC001167616828 959082211 /nfs/dbraw/zinc/08/22/11/959082211.db2.gz ANINHHFIUPGTNB-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO Nc1cc(CNc2cc3nccc-3[n-][nH+]2)cc[nH+]1 ZINC001167616863 959082680 /nfs/dbraw/zinc/08/26/80/959082680.db2.gz HBELVKRIYOFSFO-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO Cc1ccc[n+]([O-])c1NCc1cc[nH+]c(N)c1 ZINC001167616827 959086146 /nfs/dbraw/zinc/08/61/46/959086146.db2.gz RCKVNISSFXZHBE-UHFFFAOYSA-N 1 2 230.271 1.218 20 0 BDADLO Cc1nccnc1NCc1cc[nH+]c(N)c1 ZINC001167617560 959090388 /nfs/dbraw/zinc/09/03/88/959090388.db2.gz PJAUDLGIGZJMAT-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)C(F)F ZINC000724701769 959212839 /nfs/dbraw/zinc/21/28/39/959212839.db2.gz MKUQVGLYRSIPDU-RBXMUDONSA-N 1 2 232.274 1.274 20 0 BDADLO CC(C)(C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724728388 959311211 /nfs/dbraw/zinc/31/12/11/959311211.db2.gz ZLDBUCKMJKPQNJ-SSDOTTSWSA-N 1 2 222.279 1.521 20 0 BDADLO C/C=C(\C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001143944985 972421075 /nfs/dbraw/zinc/42/10/75/972421075.db2.gz MMVRVCHVBDUTSN-XBXARRHUSA-N 1 2 207.277 1.343 20 0 BDADLO C[C@@H]1C[C@H](C)CCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724745957 959355540 /nfs/dbraw/zinc/35/55/40/959355540.db2.gz NIBGRXRYYWWIGO-OPRDCNLKSA-N 1 2 248.317 1.864 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@H](C)C1 ZINC000724754579 959362162 /nfs/dbraw/zinc/36/21/62/959362162.db2.gz CYPBZQJYLJLIOZ-KYXWUPHJSA-N 1 2 248.317 1.910 20 0 BDADLO CC1(C)CC(NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724767457 959422196 /nfs/dbraw/zinc/42/21/96/959422196.db2.gz TUVVUCJURSAAPD-SSDOTTSWSA-N 1 2 220.263 1.274 20 0 BDADLO CN(Cc1ccccn1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724767731 959425085 /nfs/dbraw/zinc/42/50/85/959425085.db2.gz WSSANYABVKWXMU-SECBINFHSA-N 1 2 243.257 1.023 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000724782845 959485750 /nfs/dbraw/zinc/48/57/50/959485750.db2.gz PBNYHYJFQGCNOG-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO Cc1ncc(C[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000724782845 959485763 /nfs/dbraw/zinc/48/57/63/959485763.db2.gz PBNYHYJFQGCNOG-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@@H](C)C2)c[nH]1 ZINC000724782845 959485777 /nfs/dbraw/zinc/48/57/77/959485777.db2.gz PBNYHYJFQGCNOG-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@@H](C)C2)c[nH]1 ZINC000724782845 959485790 /nfs/dbraw/zinc/48/57/90/959485790.db2.gz PBNYHYJFQGCNOG-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1COCC[C@H]1Nc1cccc[nH+]1 ZINC000308966160 959550114 /nfs/dbraw/zinc/55/01/14/959550114.db2.gz VUUYQAVEJFSQJF-NXEZZACHSA-N 1 2 208.261 1.297 20 0 BDADLO CNc1cc(N[C@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000301019076 959590518 /nfs/dbraw/zinc/59/05/18/959590518.db2.gz NCVIQLZQQNGMJF-IUCAKERBSA-N 1 2 222.292 1.355 20 0 BDADLO CNc1cc(N[C@H]2CCOC[C@@H]2C)[nH+]cn1 ZINC000301019076 959590540 /nfs/dbraw/zinc/59/05/40/959590540.db2.gz NCVIQLZQQNGMJF-IUCAKERBSA-N 1 2 222.292 1.355 20 0 BDADLO C[C@@H](C(=O)N[C@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001331283795 974672009 /nfs/dbraw/zinc/67/20/09/974672009.db2.gz WRLMIIVBCRDLLN-JOYOIKCWSA-N 1 2 221.304 1.749 20 0 BDADLO OCC[C@H]1COCC[N@@H+]1Cc1cccc(F)c1 ZINC000694950591 960050663 /nfs/dbraw/zinc/05/06/63/960050663.db2.gz MUVANHBZJLTGOM-ZDUSSCGKSA-N 1 2 239.290 1.409 20 0 BDADLO OCC[C@H]1COCC[N@H+]1Cc1cccc(F)c1 ZINC000694950591 960050676 /nfs/dbraw/zinc/05/06/76/960050676.db2.gz MUVANHBZJLTGOM-ZDUSSCGKSA-N 1 2 239.290 1.409 20 0 BDADLO OCC[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000694966872 960061902 /nfs/dbraw/zinc/06/19/02/960061902.db2.gz SFEGOVUECYVJAL-NFBGWVBBSA-N 1 2 247.338 1.783 20 0 BDADLO OCC[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000694966872 960061911 /nfs/dbraw/zinc/06/19/11/960061911.db2.gz SFEGOVUECYVJAL-NFBGWVBBSA-N 1 2 247.338 1.783 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccc(O)cn2)CCO1 ZINC000709020446 960210597 /nfs/dbraw/zinc/21/05/97/960210597.db2.gz NBQXHYOUTZJAHX-CYBMUJFWSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(O)cn2)CCO1 ZINC000709020446 960210607 /nfs/dbraw/zinc/21/06/07/960210607.db2.gz NBQXHYOUTZJAHX-CYBMUJFWSA-N 1 2 236.315 1.644 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCCC(=O)CC1 ZINC001203051366 960453741 /nfs/dbraw/zinc/45/37/41/960453741.db2.gz MKBMTOUYCHTJQS-UHFFFAOYSA-N 1 2 235.331 1.592 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCCC(=O)CC1 ZINC001203051366 960453751 /nfs/dbraw/zinc/45/37/51/960453751.db2.gz MKBMTOUYCHTJQS-UHFFFAOYSA-N 1 2 235.331 1.592 20 0 BDADLO COCC[N@H+](C)Cc1cc(Cl)ncc1F ZINC001140603259 960454873 /nfs/dbraw/zinc/45/48/73/960454873.db2.gz HAUANDWJUCQQMS-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COCC[N@@H+](C)Cc1cc(Cl)ncc1F ZINC001140603259 960454878 /nfs/dbraw/zinc/45/48/78/960454878.db2.gz HAUANDWJUCQQMS-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)c(C)c1 ZINC001140676876 960482210 /nfs/dbraw/zinc/48/22/10/960482210.db2.gz OVZLDVAFRPCRPQ-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)c(C)c1 ZINC001140676876 960482224 /nfs/dbraw/zinc/48/22/24/960482224.db2.gz OVZLDVAFRPCRPQ-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)CCCC1=O ZINC001140678977 960490737 /nfs/dbraw/zinc/49/07/37/960490737.db2.gz MHSSEFGVMJGVLE-SNVBAGLBSA-N 1 2 237.299 1.573 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CCCC1=O ZINC001140678977 960490751 /nfs/dbraw/zinc/49/07/51/960490751.db2.gz MHSSEFGVMJGVLE-SNVBAGLBSA-N 1 2 237.299 1.573 20 0 BDADLO COc1nccc(C[NH+]2CC3(CSC3)C2)n1 ZINC001140703118 960506951 /nfs/dbraw/zinc/50/69/51/960506951.db2.gz CJTAISGZCSSJEO-UHFFFAOYSA-N 1 2 237.328 1.034 20 0 BDADLO O[C@@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1F ZINC001140802212 960593723 /nfs/dbraw/zinc/59/37/23/960593723.db2.gz QUXLWXYNYJPSAO-WCQYABFASA-N 1 2 249.289 1.468 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccncn1 ZINC001203068074 960605324 /nfs/dbraw/zinc/60/53/24/960605324.db2.gz YJGIWMAHIXJJNX-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccncn1 ZINC001203068074 960605327 /nfs/dbraw/zinc/60/53/27/960605327.db2.gz YJGIWMAHIXJJNX-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC3(C2)CS(=O)C3)c1C ZINC001140857876 960636328 /nfs/dbraw/zinc/63/63/28/960636328.db2.gz BVWRTJQZJNJDLA-UHFFFAOYSA-N 1 2 238.356 1.196 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](CF)C2)n[nH]1 ZINC001203076476 960680515 /nfs/dbraw/zinc/68/05/15/960680515.db2.gz CEBVSNQCODMSKJ-SNVBAGLBSA-N 1 2 211.284 1.900 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](CF)C2)n[nH]1 ZINC001203076476 960680530 /nfs/dbraw/zinc/68/05/30/960680530.db2.gz CEBVSNQCODMSKJ-SNVBAGLBSA-N 1 2 211.284 1.900 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1cnco1)C2 ZINC001140928275 960702927 /nfs/dbraw/zinc/70/29/27/960702927.db2.gz KLRFTAWJAQIKQH-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1cnco1)C2 ZINC001140928275 960702939 /nfs/dbraw/zinc/70/29/39/960702939.db2.gz KLRFTAWJAQIKQH-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO CCOCC[C@@H](C)[NH2+][C@@H](C)C(=O)OCC ZINC001172410947 974675893 /nfs/dbraw/zinc/67/58/93/974675893.db2.gz LWYFBIYCPDIBMR-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1cc(C[NH+]2CC(c3cccnc3)C2)[nH]n1 ZINC001203081835 960770497 /nfs/dbraw/zinc/77/04/97/960770497.db2.gz IESLEVHUHIWRIX-UHFFFAOYSA-N 1 2 228.299 1.713 20 0 BDADLO F[C@H]1COC2(C1)CC[NH+](Cc1ncco1)CC2 ZINC001141010903 960812557 /nfs/dbraw/zinc/81/25/57/960812557.db2.gz KZYBSPZYHUROCY-SNVBAGLBSA-N 1 2 240.278 1.768 20 0 BDADLO COC1CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141042599 960829731 /nfs/dbraw/zinc/82/97/31/960829731.db2.gz YNCURSYUOFZNSP-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO c1cn2ccc(CN3CC4(C3)CCCO4)cc2[nH+]1 ZINC001141047605 960832684 /nfs/dbraw/zinc/83/26/84/960832684.db2.gz MZTKSIVMWRBYNO-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CN(Cc1ccon1)Cc1ccn2cc[nH+]c2c1 ZINC001141046167 960832760 /nfs/dbraw/zinc/83/27/60/960832760.db2.gz PIMWWQMNZSYJCS-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO Cc1nnc([C@H]2CCC[N@H+](Cc3cocn3)C2)o1 ZINC001141130501 960881147 /nfs/dbraw/zinc/88/11/47/960881147.db2.gz RADVJYJBANTVEG-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cocn3)C2)o1 ZINC001141130501 960881152 /nfs/dbraw/zinc/88/11/52/960881152.db2.gz RADVJYJBANTVEG-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO Cn1cnnc1C1CC[NH+](Cc2cocn2)CC1 ZINC001141130705 960881213 /nfs/dbraw/zinc/88/12/13/960881213.db2.gz XAHUPYXMLUGSDL-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cocn2)CC1 ZINC001141132157 960881875 /nfs/dbraw/zinc/88/18/75/960881875.db2.gz XCAPNKAOTXOEAO-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cocn2)CC1 ZINC001141132157 960881884 /nfs/dbraw/zinc/88/18/84/960881884.db2.gz XCAPNKAOTXOEAO-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO CCOC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001141257538 961027829 /nfs/dbraw/zinc/02/78/29/961027829.db2.gz MIDJXWATLYERAK-UHFFFAOYSA-N 1 2 234.343 1.973 20 0 BDADLO Cc1nonc1C[NH+]1CCC(c2ncco2)CC1 ZINC000585577058 961046666 /nfs/dbraw/zinc/04/66/66/961046666.db2.gz LBNOAGXVVXOXNB-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO C/C(=C/c1ccco1)C(=O)NCCn1cc[nH+]c1 ZINC001141601234 961119877 /nfs/dbraw/zinc/11/98/77/961119877.db2.gz IAEXTTUDQWJCDN-LUAWRHEFSA-N 1 2 245.282 1.696 20 0 BDADLO Cc1cnc(NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001141885734 961170371 /nfs/dbraw/zinc/17/03/71/961170371.db2.gz WSSSBPIGEMKJPS-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO C[N@H+](Cc1ccc2c(c1)OCCCO2)C1COC1 ZINC001142267027 961391413 /nfs/dbraw/zinc/39/14/13/961391413.db2.gz TZJSRXMWBRKMJW-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO C[N@@H+](Cc1ccc2c(c1)OCCCO2)C1COC1 ZINC001142267027 961391441 /nfs/dbraw/zinc/39/14/41/961391441.db2.gz TZJSRXMWBRKMJW-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO Cn1cc2c(cccc2C[NH+]2CC3(CCO3)C2)n1 ZINC001142465257 961444087 /nfs/dbraw/zinc/44/40/87/961444087.db2.gz OWJRGUMWFKZVIV-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO CCOCCC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001268259777 961501315 /nfs/dbraw/zinc/50/13/15/961501315.db2.gz QHILKCDWTBRQIA-UHFFFAOYSA-N 1 2 240.347 1.180 20 0 BDADLO CCC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001142716222 961679470 /nfs/dbraw/zinc/67/94/70/961679470.db2.gz NIHUUTXCRXMCBO-UHFFFAOYSA-N 1 2 247.342 1.865 20 0 BDADLO CN(CCC(F)(F)F)c1cc(N)nc[nH+]1 ZINC000087836952 961760220 /nfs/dbraw/zinc/76/02/20/961760220.db2.gz IPIDGBFPIXLDAM-UHFFFAOYSA-N 1 2 220.198 1.447 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC001142817049 961777103 /nfs/dbraw/zinc/77/71/03/961777103.db2.gz ANIAYBCEMZGPAV-QMMMGPOBSA-N 1 2 244.245 1.311 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC001142817049 961777113 /nfs/dbraw/zinc/77/71/13/961777113.db2.gz ANIAYBCEMZGPAV-QMMMGPOBSA-N 1 2 244.245 1.311 20 0 BDADLO COC(=O)Cc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC001142898423 961814345 /nfs/dbraw/zinc/81/43/45/961814345.db2.gz KGWSEUYNUIXCLW-UHFFFAOYSA-N 1 2 249.310 1.233 20 0 BDADLO CC(C)(O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001142897570 961815131 /nfs/dbraw/zinc/81/51/31/961815131.db2.gz TUIFUKXYZNVATH-UHFFFAOYSA-N 1 2 219.244 1.044 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc3nccn3c2)C1 ZINC001143018423 961863591 /nfs/dbraw/zinc/86/35/91/961863591.db2.gz JDSDIDGCBVKUAQ-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc3nccn3c2)C1 ZINC001143018423 961863592 /nfs/dbraw/zinc/86/35/92/961863592.db2.gz JDSDIDGCBVKUAQ-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO C[C@@H]1COCCN1Cc1ccc2[nH+]ccn2c1 ZINC001143017920 961864722 /nfs/dbraw/zinc/86/47/22/961864722.db2.gz BMJYFOHFUJVHDK-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2nccn2c1 ZINC001143017920 961864745 /nfs/dbraw/zinc/86/47/45/961864745.db2.gz BMJYFOHFUJVHDK-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2nccn2c1 ZINC001143017920 961864752 /nfs/dbraw/zinc/86/47/52/961864752.db2.gz BMJYFOHFUJVHDK-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO c1nc(C[NH+]2CCC2)cc2c1OCCO2 ZINC001143053387 961872833 /nfs/dbraw/zinc/87/28/33/961872833.db2.gz VHHFAVUUVHYKRX-UHFFFAOYSA-N 1 2 206.245 1.059 20 0 BDADLO CC(=O)NC/C=C\C[NH2+]Cc1ncc(C2CC2)o1 ZINC001268501943 961888970 /nfs/dbraw/zinc/88/89/70/961888970.db2.gz HFZKQFSBFZMTJJ-IHWYPQMZSA-N 1 2 249.314 1.334 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]C(C)(C)C(F)F)[C@H]1OC ZINC000894148940 961970848 /nfs/dbraw/zinc/97/08/48/961970848.db2.gz RQXYTYGUWOIDGM-DJLDLDEBSA-N 1 2 237.290 1.812 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2C[C@H]3C[C@H]3C2)no1 ZINC001167929931 962042403 /nfs/dbraw/zinc/04/24/03/962042403.db2.gz FIGVYSFOFAMFDQ-MYJAWHEDSA-N 1 2 207.277 1.608 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2C[C@H]3C[C@H]3C2)no1 ZINC001167929931 962042439 /nfs/dbraw/zinc/04/24/39/962042439.db2.gz FIGVYSFOFAMFDQ-MYJAWHEDSA-N 1 2 207.277 1.608 20 0 BDADLO OC1(C(F)(F)F)C[NH+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167932381 962072772 /nfs/dbraw/zinc/07/27/72/962072772.db2.gz VQZQXXPYGGCSBD-JIGDXULJSA-N 1 2 221.222 1.394 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(CO)ccc1C ZINC001150477627 962173802 /nfs/dbraw/zinc/17/38/02/962173802.db2.gz MSIIFWZJFNTJJU-CYBMUJFWSA-N 1 2 248.326 1.520 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(CO)ccc1C ZINC001150477627 962173807 /nfs/dbraw/zinc/17/38/07/962173807.db2.gz MSIIFWZJFNTJJU-CYBMUJFWSA-N 1 2 248.326 1.520 20 0 BDADLO CC(C)CCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150701418 962200374 /nfs/dbraw/zinc/20/03/74/962200374.db2.gz LMGKMRXKFDOLEU-UHFFFAOYSA-N 1 2 247.342 1.985 20 0 BDADLO Cc1cccc2[nH]c(C(=O)NC3C[NH+](C)C3)cc21 ZINC001151079432 962239069 /nfs/dbraw/zinc/23/90/69/962239069.db2.gz OLVKNQOBNXYDSU-UHFFFAOYSA-N 1 2 243.310 1.520 20 0 BDADLO C/C=C/C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001268949180 962393994 /nfs/dbraw/zinc/39/39/94/962393994.db2.gz DYSTUIFTELPFDU-DUXPYHPUSA-N 1 2 245.326 1.235 20 0 BDADLO CC(=O)CN(C)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152971376 962509858 /nfs/dbraw/zinc/50/98/58/962509858.db2.gz JWCGZEUWTKWQFR-UHFFFAOYSA-N 1 2 231.255 1.224 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000928037833 962609213 /nfs/dbraw/zinc/60/92/13/962609213.db2.gz GPJUDUMBTBMQNE-KXGXSXBTSA-N 1 2 233.315 1.123 20 0 BDADLO COc1cccnc1CN1CCn2c[nH+]cc2C1 ZINC001206650252 962639036 /nfs/dbraw/zinc/63/90/36/962639036.db2.gz CNGCTZDQPOGXIU-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO c1cn(C2CC2)c(C[NH2+]Cc2cccnc2)n1 ZINC000711745490 962762497 /nfs/dbraw/zinc/76/24/97/962762497.db2.gz IIJJKIPUPGQGMD-UHFFFAOYSA-N 1 2 228.299 1.903 20 0 BDADLO O=C(Nc1ncccn1)c1cccc2[nH+]ccn21 ZINC001154517137 962786469 /nfs/dbraw/zinc/78/64/69/962786469.db2.gz CLNUXZGZLAKUHT-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO CCCCNc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001154831610 962861372 /nfs/dbraw/zinc/86/13/72/962861372.db2.gz HHEIURJUMNSIJY-UHFFFAOYSA-N 1 2 232.291 1.578 20 0 BDADLO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC001155194531 963016562 /nfs/dbraw/zinc/01/65/62/963016562.db2.gz RZOILRAGORXUCY-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC001155194531 963016577 /nfs/dbraw/zinc/01/65/77/963016577.db2.gz RZOILRAGORXUCY-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO CC(=O)NCCNc1ccc2[nH+]cn(C)c2c1 ZINC001161658362 963056985 /nfs/dbraw/zinc/05/69/85/963056985.db2.gz UWSNLFPLKCMGRU-UHFFFAOYSA-N 1 2 232.287 1.121 20 0 BDADLO Nc1nc(=O)c(F)cn1-c1cc2[nH]ccc2c[nH+]1 ZINC001155419003 963072515 /nfs/dbraw/zinc/07/25/15/963072515.db2.gz SVNGKRSWAXSUSI-UHFFFAOYSA-N 1 2 245.217 1.073 20 0 BDADLO C[NH+]1CC(NC(=O)c2c3cc[nH]c3ccc2F)C1 ZINC001155438015 963079382 /nfs/dbraw/zinc/07/93/82/963079382.db2.gz MMMZKUWMKNSSHE-UHFFFAOYSA-N 1 2 247.273 1.351 20 0 BDADLO CC[C@H](C)Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001167998012 963202076 /nfs/dbraw/zinc/20/20/76/963202076.db2.gz DCXNTSWNABQXKP-ZETCQYMHSA-N 1 2 221.260 1.623 20 0 BDADLO CC(C)[NH+]1CC(Oc2cccc3c2OCCO3)C1 ZINC001226629887 963262924 /nfs/dbraw/zinc/26/29/24/963262924.db2.gz MTSXKHPBMKSRFY-UHFFFAOYSA-N 1 2 249.310 1.929 20 0 BDADLO C=Cc1ccc(NC[C@H]2CCC(=O)N2)[nH+]c1 ZINC001156151038 963268280 /nfs/dbraw/zinc/26/82/80/963268280.db2.gz IIJAZDHFANRKHD-SNVBAGLBSA-N 1 2 217.272 1.415 20 0 BDADLO COCC(C)(C)Nc1cc(N(C)C)nc[nH+]1 ZINC001156455634 963359709 /nfs/dbraw/zinc/35/97/09/963359709.db2.gz OGSKMCKWJJSWSO-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2cccc[n+]2[O-])C1 ZINC001226796970 963363667 /nfs/dbraw/zinc/36/36/67/963363667.db2.gz QFDXSXQVYWMTPT-UHFFFAOYSA-N 1 2 222.288 1.182 20 0 BDADLO COc1cc(C)c[nH+]c1NCc1cccnn1 ZINC001156603282 963403819 /nfs/dbraw/zinc/40/38/19/963403819.db2.gz DPEDALWLVAOCNT-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO COC(=O)c1cnc(C[NH+]2CC(C)(C)C2)cn1 ZINC001141819773 963433898 /nfs/dbraw/zinc/43/38/98/963433898.db2.gz LAKUMVGLRMGMBE-UHFFFAOYSA-N 1 2 235.287 1.105 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H](F)C(C)C)[nH+]c1C ZINC000896910899 963521828 /nfs/dbraw/zinc/52/18/28/963521828.db2.gz GOFLATNHWGFRQS-SNVBAGLBSA-N 1 2 227.283 1.637 20 0 BDADLO C=C/C=C\CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001157168087 963548663 /nfs/dbraw/zinc/54/86/63/963548663.db2.gz IHKNQIHCAPXETM-WAYWQWQTSA-N 1 2 249.314 1.485 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168074526 963610636 /nfs/dbraw/zinc/61/06/36/963610636.db2.gz JKUVLMXHZPQJDZ-VHSXEESVSA-N 1 2 227.304 1.239 20 0 BDADLO CCN(c1ncc(C)cc1F)C1C[NH+](C)C1 ZINC001157453586 963614259 /nfs/dbraw/zinc/61/42/59/963614259.db2.gz HPBXSIBFEKEOFK-UHFFFAOYSA-N 1 2 223.295 1.669 20 0 BDADLO CCN(c1nc(C)ncc1F)C1C[NH+](C)C1 ZINC001157455172 963615472 /nfs/dbraw/zinc/61/54/72/963615472.db2.gz AQKXFEVSEGFECV-UHFFFAOYSA-N 1 2 224.283 1.064 20 0 BDADLO CCc1cc(C[NH+]2CC(C)(CO)C2)on1 ZINC001203212388 963632047 /nfs/dbraw/zinc/63/20/47/963632047.db2.gz NDKVVGCZGYWEDD-UHFFFAOYSA-N 1 2 210.277 1.051 20 0 BDADLO Cc1ccccc1OC[C@@H](O)C[NH2+]CC(F)F ZINC000136592659 963641102 /nfs/dbraw/zinc/64/11/02/963641102.db2.gz GNIGEFZIKCMOFS-JTQLQIEISA-N 1 2 245.269 1.589 20 0 BDADLO C[C@H]1C[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103296 963714235 /nfs/dbraw/zinc/71/42/35/963714235.db2.gz IDEQHGRRGNXMSB-AEJSXWLSSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1C[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103296 963714244 /nfs/dbraw/zinc/71/42/44/963714244.db2.gz IDEQHGRRGNXMSB-AEJSXWLSSA-N 1 2 235.274 1.256 20 0 BDADLO CCCCCOC(=O)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168106397 963729469 /nfs/dbraw/zinc/72/94/69/963729469.db2.gz ZEKPHWGESORRJJ-RYUDHWBXSA-N 1 2 243.347 1.877 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CCO[C@@H](C)C1 ZINC001168112830 963755240 /nfs/dbraw/zinc/75/52/40/963755240.db2.gz DMLJRBUBWVCPNX-ZDCRXTMVSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CCO[C@@H](C)C1 ZINC001168112830 963755246 /nfs/dbraw/zinc/75/52/46/963755246.db2.gz DMLJRBUBWVCPNX-ZDCRXTMVSA-N 1 2 245.294 1.139 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CC[N@@H+]1CCF ZINC001088444068 963787590 /nfs/dbraw/zinc/78/75/90/963787590.db2.gz KBVCSNKSHWDFNP-BDAKNGLRSA-N 1 2 234.290 1.283 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CC[N@H+]1CCF ZINC001088444068 963787597 /nfs/dbraw/zinc/78/75/97/963787597.db2.gz KBVCSNKSHWDFNP-BDAKNGLRSA-N 1 2 234.290 1.283 20 0 BDADLO CCSc1cc[nH+]c(NCC2OCCO2)c1 ZINC001158203402 963831672 /nfs/dbraw/zinc/83/16/72/963831672.db2.gz KYMNWZSTKILUKL-UHFFFAOYSA-N 1 2 240.328 1.978 20 0 BDADLO CSCc1cc[nH+]c(N[C@H]2COC(=O)C2)c1 ZINC001158251195 963839943 /nfs/dbraw/zinc/83/99/43/963839943.db2.gz HTVXJLWVXZFBGG-SECBINFHSA-N 1 2 238.312 1.672 20 0 BDADLO COc1ccc[nH+]c1NCC[C@H](O)C1CC1 ZINC000897385016 963877896 /nfs/dbraw/zinc/87/78/96/963877896.db2.gz QEUYCPFYAUMDKY-JTQLQIEISA-N 1 2 222.288 1.663 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccnn1C1CCC1 ZINC001158524010 963882197 /nfs/dbraw/zinc/88/21/97/963882197.db2.gz GWCBABHPSACTSZ-LLVKDONJSA-N 1 2 248.330 1.641 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccnn1C1CCC1 ZINC001158524010 963882198 /nfs/dbraw/zinc/88/21/98/963882198.db2.gz GWCBABHPSACTSZ-LLVKDONJSA-N 1 2 248.330 1.641 20 0 BDADLO Cc1c[nH+]c(N(C)[C@H]2CCOC2)nc1NC1CC1 ZINC001158569317 963889357 /nfs/dbraw/zinc/88/93/57/963889357.db2.gz IAFCZQPUYBHUNN-NSHDSACASA-N 1 2 248.330 1.584 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(C2CC2)n1 ZINC001158711722 963905718 /nfs/dbraw/zinc/90/57/18/963905718.db2.gz VQZWBHMUSWZLAM-LBPRGKRZSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cccc(C2CC2)n1 ZINC001158711722 963905724 /nfs/dbraw/zinc/90/57/24/963905724.db2.gz VQZWBHMUSWZLAM-LBPRGKRZSA-N 1 2 247.342 1.702 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1CCCOC1 ZINC001158714248 963909312 /nfs/dbraw/zinc/90/93/12/963909312.db2.gz SXTCUALWZQMRBA-JTQLQIEISA-N 1 2 222.288 1.990 20 0 BDADLO COC(=O)[C@@]1([NH2+]C2CCC(C)CC2)CCOC1 ZINC001168208765 963984082 /nfs/dbraw/zinc/98/40/82/963984082.db2.gz CPNBQJPXHZQKSU-GCZXYKMCSA-N 1 2 241.331 1.487 20 0 BDADLO CSc1cc(N[C@H]2C[C@@H](CO)C2)nc(C)[nH+]1 ZINC001168240373 964042796 /nfs/dbraw/zinc/04/27/96/964042796.db2.gz ZPNSGUXNPVQWQD-DTORHVGOSA-N 1 2 239.344 1.690 20 0 BDADLO Cn1c[nH+]c2ccc(N[C@H]3C[C@@H](CO)C3)cc21 ZINC001168242853 964047095 /nfs/dbraw/zinc/04/70/95/964047095.db2.gz DVORSTHDZWTNHT-JGZJWPJOSA-N 1 2 231.299 1.756 20 0 BDADLO CC/C(C)=C/C(=O)NCC[NH2+]Cc1ncccn1 ZINC001126752039 964163135 /nfs/dbraw/zinc/16/31/35/964163135.db2.gz LATUTIZIRVPTBV-PKNBQFBNSA-N 1 2 248.330 1.039 20 0 BDADLO COC(=O)C[C@@H](C)Nc1[nH+]c(C)ccc1OC ZINC001160529273 964326517 /nfs/dbraw/zinc/32/65/17/964326517.db2.gz XAKGHTIXKNTBEI-SECBINFHSA-N 1 2 238.287 1.762 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)(F)CC)[C@H]1OC ZINC000697634208 964373216 /nfs/dbraw/zinc/37/32/16/964373216.db2.gz OQDROTYLAROIGG-OPRDCNLKSA-N 1 2 237.290 1.814 20 0 BDADLO CCOC(=O)[C@H](C)C1CN(c2cc[nH+]c(C)n2)C1 ZINC000872771166 964523738 /nfs/dbraw/zinc/52/37/38/964523738.db2.gz ACIZZUUQQDHUGZ-SECBINFHSA-N 1 2 249.314 1.420 20 0 BDADLO Fc1ccnc(NC2CN(c3cccc[nH+]3)C2)c1 ZINC001161319413 964570349 /nfs/dbraw/zinc/57/03/49/964570349.db2.gz QMQXGUJWGZXIJD-UHFFFAOYSA-N 1 2 244.273 1.916 20 0 BDADLO c1cn(CCCNc2ccc3nncn3c2)c[nH+]1 ZINC001161684804 964685141 /nfs/dbraw/zinc/68/51/41/964685141.db2.gz QPWIKMGTEVMEMQ-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO Cc1ccc[n+]([O-])c1NCCCn1cc[nH+]c1 ZINC001161688332 964688334 /nfs/dbraw/zinc/68/83/34/964688334.db2.gz PDTZIAQRHUFZNB-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO CC(C)OCCNc1ccc(N(C)C)c[nH+]1 ZINC001161794692 964757222 /nfs/dbraw/zinc/75/72/22/964757222.db2.gz JRDZEEGQRBIMJW-UHFFFAOYSA-N 1 2 223.320 1.985 20 0 BDADLO COc1ccc(C(=O)CNc2c[nH+]cn2C)cc1 ZINC001161802693 964760544 /nfs/dbraw/zinc/76/05/44/964760544.db2.gz JPSCBUWWSHDXFL-UHFFFAOYSA-N 1 2 245.282 1.724 20 0 BDADLO Cn1cc(CNc2ccn3cc[nH+]c3c2)cn1 ZINC001161853367 964793406 /nfs/dbraw/zinc/79/34/06/964793406.db2.gz YHJJCQZKRJMMMW-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO Cc1nccnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168369968 964912631 /nfs/dbraw/zinc/91/26/31/964912631.db2.gz QVECAEPABBFMAO-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1nccnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168369968 964912634 /nfs/dbraw/zinc/91/26/34/964912634.db2.gz QVECAEPABBFMAO-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO O=C1C[C@@H](CNc2cc3cc[nH]c3c[nH+]2)CCN1 ZINC001162324484 964927704 /nfs/dbraw/zinc/92/77/04/964927704.db2.gz HMMXZLCDXJRIIX-VIFPVBQESA-N 1 2 244.298 1.501 20 0 BDADLO COc1cc[nH+]cc1NCCN1CCCCO1 ZINC001162420223 964971827 /nfs/dbraw/zinc/97/18/27/964971827.db2.gz XIESQASCUUQNOS-UHFFFAOYSA-N 1 2 237.303 1.530 20 0 BDADLO c1nc2c(cccc2C[N@@H+]2CCO[C@H]3C[C@H]32)[nH]1 ZINC001142692938 965037117 /nfs/dbraw/zinc/03/71/17/965037117.db2.gz RIJGHVWYOOFVBH-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2c(cccc2C[N@H+]2CCO[C@H]3C[C@H]32)[nH]1 ZINC001142692938 965037125 /nfs/dbraw/zinc/03/71/25/965037125.db2.gz RIJGHVWYOOFVBH-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO CC(=O)Nc1cc(NC(=[NH2+])C(C)(C)C)ncn1 ZINC001162661990 965096417 /nfs/dbraw/zinc/09/64/17/965096417.db2.gz LLGVTKFAXVSRBT-UHFFFAOYSA-N 1 2 235.291 1.870 20 0 BDADLO Cc1cc(-n2cc(F)c(=O)nc2N)cc(C)[nH+]1 ZINC001163006371 965226007 /nfs/dbraw/zinc/22/60/07/965226007.db2.gz ZKHRUJLMYCZBOT-UHFFFAOYSA-N 1 2 234.234 1.208 20 0 BDADLO CC[C@@H](CO)Nc1[nH+]cc(OC)cc1C ZINC001163044591 965243146 /nfs/dbraw/zinc/24/31/46/965243146.db2.gz CPPHZKPOENXXEA-VIFPVBQESA-N 1 2 210.277 1.581 20 0 BDADLO c1cc2cc(C[NH+]3CCOCC3)ncc2[nH]1 ZINC001231666654 965277872 /nfs/dbraw/zinc/27/78/72/965277872.db2.gz UQVQWZIRUJONFY-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO OC[C@H](O)CNc1cc2cc(F)ccc2c[nH+]1 ZINC001163349973 965350510 /nfs/dbraw/zinc/35/05/10/965350510.db2.gz RKWYBXINMAIHMD-LLVKDONJSA-N 1 2 236.246 1.139 20 0 BDADLO CCOC(=O)c1cc2cc[nH+]c(N(C)C)c2[nH]1 ZINC001163569341 965454863 /nfs/dbraw/zinc/45/48/63/965454863.db2.gz POPMKJFDWSINHU-UHFFFAOYSA-N 1 2 233.271 1.806 20 0 BDADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N(C)C ZINC001163572834 965455449 /nfs/dbraw/zinc/45/54/49/965455449.db2.gz QMGSYHONZICVOD-AATRIKPKSA-N 1 2 220.272 1.642 20 0 BDADLO c1ccn2nc(C[N@@H+]3CCCC34CC4)nc2c1 ZINC001233069025 965473583 /nfs/dbraw/zinc/47/35/83/965473583.db2.gz PBTPFOBEVATSPK-UHFFFAOYSA-N 1 2 228.299 1.858 20 0 BDADLO c1ccn2nc(C[N@H+]3CCCC34CC4)nc2c1 ZINC001233069025 965473591 /nfs/dbraw/zinc/47/35/91/965473591.db2.gz PBTPFOBEVATSPK-UHFFFAOYSA-N 1 2 228.299 1.858 20 0 BDADLO Cc1nc(-n2cncn2)cc(N(C)C(C)C)[nH+]1 ZINC001163622971 965485747 /nfs/dbraw/zinc/48/57/47/965485747.db2.gz XWBIGDFVQASYDF-UHFFFAOYSA-N 1 2 232.291 1.210 20 0 BDADLO CNc1ccc(Nc2cnc(N)cn2)c[nH+]1 ZINC001203450059 965529278 /nfs/dbraw/zinc/52/92/78/965529278.db2.gz QMFRTEPZYDXZGY-UHFFFAOYSA-N 1 2 216.248 1.239 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC2(CC(O)C2)C1 ZINC001163737536 965556510 /nfs/dbraw/zinc/55/65/10/965556510.db2.gz BDWHIEWOYFXPNY-UHFFFAOYSA-N 1 2 234.299 1.360 20 0 BDADLO O=S1(=O)C=C[C@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001164008709 965690540 /nfs/dbraw/zinc/69/05/40/965690540.db2.gz VQXQKWZSCMHTBM-VIFPVBQESA-N 1 2 249.295 1.286 20 0 BDADLO CN(C)c1ccc(NCC2(CO)CCC2)[nH+]c1 ZINC001164361548 965859531 /nfs/dbraw/zinc/85/95/31/965859531.db2.gz FXRJBGLLTUUJQK-UHFFFAOYSA-N 1 2 235.331 1.722 20 0 BDADLO Cc1ccc(F)c(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164488895 965894503 /nfs/dbraw/zinc/89/45/03/965894503.db2.gz PQWKITRZLIKYRI-UHFFFAOYSA-N 1 2 245.248 1.574 20 0 BDADLO FC1(F)C[NH2+]CCN(c2cncc(Cl)n2)C1 ZINC001164489007 965896597 /nfs/dbraw/zinc/89/65/97/965896597.db2.gz VUTSLNPEIFTTGV-UHFFFAOYSA-N 1 2 248.664 1.175 20 0 BDADLO Cc1ccnc(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164488955 965896904 /nfs/dbraw/zinc/89/69/04/965896904.db2.gz SWQWHOGNGQFJDN-UHFFFAOYSA-N 1 2 227.258 1.435 20 0 BDADLO Cc1c[nH+]cc(NCC(=O)N2CCCC2)c1C ZINC001164580085 965923144 /nfs/dbraw/zinc/92/31/44/965923144.db2.gz INKKGZYOEGXGDV-UHFFFAOYSA-N 1 2 233.315 1.733 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)o1 ZINC001204392168 965945607 /nfs/dbraw/zinc/94/56/07/965945607.db2.gz BOXHWRBGBOKUNV-CABZTGNLSA-N 1 2 207.273 1.815 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)o1 ZINC001204392168 965945614 /nfs/dbraw/zinc/94/56/14/965945614.db2.gz BOXHWRBGBOKUNV-CABZTGNLSA-N 1 2 207.273 1.815 20 0 BDADLO FCC[NH+]1CCN(c2nccc3occc32)CC1 ZINC001165102589 965961002 /nfs/dbraw/zinc/96/10/02/965961002.db2.gz SDBUTJKAKDNSQE-UHFFFAOYSA-N 1 2 249.289 1.919 20 0 BDADLO C[C@H](C(=O)N1C[C@H]2CCCC[C@H]21)n1cc[nH+]c1 ZINC001165277435 966019973 /nfs/dbraw/zinc/01/99/73/966019973.db2.gz ZLRIDDYREIUMQS-IJLUTSLNSA-N 1 2 233.315 1.845 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3F)C[C@H]12 ZINC000699647023 966022410 /nfs/dbraw/zinc/02/24/10/966022410.db2.gz LHPNYWMOQXYLMS-VDDIYKPWSA-N 1 2 222.263 1.428 20 0 BDADLO Cc1c[nH+]c(N2CC[C@H](CO)C2)nc1NC1CC1 ZINC001166548035 966291829 /nfs/dbraw/zinc/29/18/29/966291829.db2.gz DUSGQVVLNSAFHF-JTQLQIEISA-N 1 2 248.330 1.178 20 0 BDADLO CC(C)c1ccc(N2CCNC(=O)[C@H]2C)[nH+]c1 ZINC001166560327 966301176 /nfs/dbraw/zinc/30/11/76/966301176.db2.gz KWOQSJBTFGMPEJ-SNVBAGLBSA-N 1 2 233.315 1.530 20 0 BDADLO C[C@@H]1C(=O)NCCN1c1cccc(C2CC2)[nH+]1 ZINC001166562234 966304295 /nfs/dbraw/zinc/30/42/95/966304295.db2.gz HOKZUIBJWZBBHC-SECBINFHSA-N 1 2 231.299 1.284 20 0 BDADLO CC(C)c1ccc(N2CCNC(=O)C2(C)C)[nH+]c1 ZINC001166606796 966325624 /nfs/dbraw/zinc/32/56/24/966325624.db2.gz PABNCKKAPPGOQD-UHFFFAOYSA-N 1 2 247.342 1.920 20 0 BDADLO CC(C)c1ccc(N(C)CC(=O)N(C)C)[nH+]c1 ZINC001166660789 966351563 /nfs/dbraw/zinc/35/15/63/966351563.db2.gz GRMHTDULWOFSLP-UHFFFAOYSA-N 1 2 235.331 1.729 20 0 BDADLO CCOCC[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001483888549 966399438 /nfs/dbraw/zinc/39/94/38/966399438.db2.gz BYBPCFCXUVCDEE-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@@H](O)C[C@H]1C ZINC001166964340 966490309 /nfs/dbraw/zinc/49/03/09/966490309.db2.gz QYTHABUQNFYGQG-GHMZBOCLSA-N 1 2 236.315 1.748 20 0 BDADLO C[C@H]([NH3+])CONC(=O)C1(c2ccccc2)CCC1 ZINC001521808325 966492406 /nfs/dbraw/zinc/49/24/06/966492406.db2.gz YYMJGRZOULUNII-NSHDSACASA-N 1 2 248.326 1.503 20 0 BDADLO Cn1cnc2c1C[N@H+](Cc1ccco1)CC2 ZINC001203284866 966596036 /nfs/dbraw/zinc/59/60/36/966596036.db2.gz PUSAXBOMOIYMOY-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1cnc2c1C[N@@H+](Cc1ccco1)CC2 ZINC001203284866 966596050 /nfs/dbraw/zinc/59/60/50/966596050.db2.gz PUSAXBOMOIYMOY-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO COc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001203433914 966643306 /nfs/dbraw/zinc/64/33/06/966643306.db2.gz CWNNZWGSGZAMOL-RYUDHWBXSA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001203433914 966643320 /nfs/dbraw/zinc/64/33/20/966643320.db2.gz CWNNZWGSGZAMOL-RYUDHWBXSA-N 1 2 219.284 1.668 20 0 BDADLO COc1cc[nH+]c(Nc2ccc(C(N)=O)nc2)c1 ZINC001203429370 966644771 /nfs/dbraw/zinc/64/47/71/966644771.db2.gz FQMPSEKSCPTGOT-UHFFFAOYSA-N 1 2 244.254 1.328 20 0 BDADLO CNc1ccc(Nc2noc3nccnc23)c[nH+]1 ZINC001203448839 966647750 /nfs/dbraw/zinc/64/77/50/966647750.db2.gz MRIBOTWSTHRAPP-UHFFFAOYSA-N 1 2 242.242 1.798 20 0 BDADLO CNc1ccc(Nc2nnccc2C)c[nH+]1 ZINC001203453163 966658413 /nfs/dbraw/zinc/65/84/13/966658413.db2.gz XHRCJWNTEVLLTK-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO COc1ccc(OC)c(C[NH+]2CC3(COC3)C2)c1 ZINC001203518390 966665644 /nfs/dbraw/zinc/66/56/44/966665644.db2.gz BGZHTUXZMZVBRM-UHFFFAOYSA-N 1 2 249.310 1.536 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc(N)nc1F ZINC001203610668 966704920 /nfs/dbraw/zinc/70/49/20/966704920.db2.gz CFTBLVDEEDUDBE-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(O)c2)C[C@H]1C ZINC001203863611 966804272 /nfs/dbraw/zinc/80/42/72/966804272.db2.gz IBMCWDBFNZBAOG-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(O)c2)C[C@H]1C ZINC001203863611 966804276 /nfs/dbraw/zinc/80/42/76/966804276.db2.gz IBMCWDBFNZBAOG-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001203954343 966827663 /nfs/dbraw/zinc/82/76/63/966827663.db2.gz FOCVSEIKCGOILX-NWDGAFQWSA-N 1 2 225.263 1.210 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001203954343 966827668 /nfs/dbraw/zinc/82/76/68/966827668.db2.gz FOCVSEIKCGOILX-NWDGAFQWSA-N 1 2 225.263 1.210 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cccnc3)[C@H]2C1 ZINC001204072544 966878744 /nfs/dbraw/zinc/87/87/44/966878744.db2.gz LRUNKMQEAUJYGB-IHRRRGAJSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3cccnc3)[C@H]2C1 ZINC001204072544 966878748 /nfs/dbraw/zinc/87/87/48/966878748.db2.gz LRUNKMQEAUJYGB-IHRRRGAJSA-N 1 2 248.326 1.053 20 0 BDADLO COC(=O)c1c[nH]c2nc(C3=CCOC3)[nH+]cc12 ZINC001239475460 966892471 /nfs/dbraw/zinc/89/24/71/966892471.db2.gz FRNIHLCSDXGIFU-UHFFFAOYSA-N 1 2 245.238 1.110 20 0 BDADLO C(=Cc1ccccc1)C[NH2+]Cc1nnc[nH]1 ZINC001204137217 966899155 /nfs/dbraw/zinc/89/91/55/966899155.db2.gz SJZBGCAJUKFZEN-QPJJXVBHSA-N 1 2 214.272 1.608 20 0 BDADLO Nc1[nH+]cccc1Nc1nonc1C1CC1 ZINC001212394998 967020501 /nfs/dbraw/zinc/02/05/01/967020501.db2.gz CZKVMBAPGNHAFX-UHFFFAOYSA-N 1 2 217.232 1.668 20 0 BDADLO Cc1cc(C[N@H+]2CCCN(C)C(=O)C2)oc1C ZINC001204534867 967035769 /nfs/dbraw/zinc/03/57/69/967035769.db2.gz MXDBMMNYORTBSE-UHFFFAOYSA-N 1 2 236.315 1.561 20 0 BDADLO Cc1cc(C[N@@H+]2CCCN(C)C(=O)C2)oc1C ZINC001204534867 967035778 /nfs/dbraw/zinc/03/57/78/967035778.db2.gz MXDBMMNYORTBSE-UHFFFAOYSA-N 1 2 236.315 1.561 20 0 BDADLO Cc1[nH+]c[nH]c1CN1C[C@H](CO)CC(F)(F)C1 ZINC001204587550 967071738 /nfs/dbraw/zinc/07/17/38/967071738.db2.gz FKKJUNGDDMIPRI-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1[nH]c[nH+]c1C ZINC001204587353 967077869 /nfs/dbraw/zinc/07/78/69/967077869.db2.gz BIKDURIAUVEULB-GXFFZTMASA-N 1 2 249.314 1.246 20 0 BDADLO Cc1[nH+]c[nH]c1CN1Cc2cnc(C)cc2C1 ZINC001204591767 967091826 /nfs/dbraw/zinc/09/18/26/967091826.db2.gz HWOHAJMALDMKCK-UHFFFAOYSA-N 1 2 228.299 1.937 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1[nH]c[nH+]c1C ZINC001204603665 967099949 /nfs/dbraw/zinc/09/99/49/967099949.db2.gz UXQPDLIQKCXILN-SCVCMEIPSA-N 1 2 249.314 1.244 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001204672453 967126084 /nfs/dbraw/zinc/12/60/84/967126084.db2.gz UOJXBYRYFPGQFQ-STQMWFEESA-N 1 2 247.294 1.446 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001204672453 967126097 /nfs/dbraw/zinc/12/60/97/967126097.db2.gz UOJXBYRYFPGQFQ-STQMWFEESA-N 1 2 247.294 1.446 20 0 BDADLO O[C@H]1C[N@H+](Cc2nc3ccccc3[nH]2)CC[C@H]1F ZINC001204751396 967146024 /nfs/dbraw/zinc/14/60/24/967146024.db2.gz ILMHTQGPQLJFNB-SKDRFNHKSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CC[C@H]1F ZINC001204751396 967146034 /nfs/dbraw/zinc/14/60/34/967146034.db2.gz ILMHTQGPQLJFNB-SKDRFNHKSA-N 1 2 249.289 1.468 20 0 BDADLO COCC1C[NH+](Cc2nc3ccccc3[nH]2)C1 ZINC001204746055 967147325 /nfs/dbraw/zinc/14/73/25/967147325.db2.gz SONAKVPGWCONNU-UHFFFAOYSA-N 1 2 231.299 1.641 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)n[nH]1 ZINC001116439029 967163170 /nfs/dbraw/zinc/16/31/70/967163170.db2.gz CQZRDPKEZAPAME-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)n[nH]1 ZINC001116439029 967163177 /nfs/dbraw/zinc/16/31/77/967163177.db2.gz CQZRDPKEZAPAME-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000721924836 967241728 /nfs/dbraw/zinc/24/17/28/967241728.db2.gz XULKFNLSSRGSGN-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000721924836 967241735 /nfs/dbraw/zinc/24/17/35/967241735.db2.gz XULKFNLSSRGSGN-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO c1cn2ccc(Nc3ccncn3)cc2[nH+]1 ZINC001204951563 967252495 /nfs/dbraw/zinc/25/24/95/967252495.db2.gz VPIFQNIVNCTASC-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO CC(=O)c1nn(-c2ccn3cc[nH+]c3c2)cc1N ZINC001204972285 967269558 /nfs/dbraw/zinc/26/95/58/967269558.db2.gz YCWRRDYENKMRDV-UHFFFAOYSA-N 1 2 241.254 1.305 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cn1 ZINC001204978332 967272691 /nfs/dbraw/zinc/27/26/91/967272691.db2.gz AAGNVQYXEUPCBF-GHMZBOCLSA-N 1 2 229.274 1.692 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cn1 ZINC001204978332 967272694 /nfs/dbraw/zinc/27/26/94/967272694.db2.gz AAGNVQYXEUPCBF-GHMZBOCLSA-N 1 2 229.274 1.692 20 0 BDADLO CCOc1cc(C[N@H+](CC)C2COC2)ccn1 ZINC001250014907 967273504 /nfs/dbraw/zinc/27/35/04/967273504.db2.gz UWJCFVPUAMDSKT-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cc(C[N@@H+](CC)C2COC2)ccn1 ZINC001250014907 967273509 /nfs/dbraw/zinc/27/35/09/967273509.db2.gz UWJCFVPUAMDSKT-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CN(C)c1ncc(-c2ccc[nH+]c2N)cn1 ZINC001205004209 967287399 /nfs/dbraw/zinc/28/73/99/967287399.db2.gz FYRQXZLCEXXDJF-UHFFFAOYSA-N 1 2 215.260 1.187 20 0 BDADLO CN1CCOc2cc(CC3CC3)c[nH+]c21 ZINC001250037079 967290229 /nfs/dbraw/zinc/29/02/29/967290229.db2.gz MQZRTRZMAHERNR-UHFFFAOYSA-N 1 2 204.273 1.863 20 0 BDADLO CCNC(=O)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250139044 967424876 /nfs/dbraw/zinc/42/48/76/967424876.db2.gz NOCPEMAKSISOID-UHFFFAOYSA-N 1 2 243.310 1.610 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205201837 967425513 /nfs/dbraw/zinc/42/55/13/967425513.db2.gz MXUGRIWMRBSKEU-ZWNOBZJWSA-N 1 2 248.326 1.615 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205201837 967425520 /nfs/dbraw/zinc/42/55/20/967425520.db2.gz MXUGRIWMRBSKEU-ZWNOBZJWSA-N 1 2 248.326 1.615 20 0 BDADLO Cc1ccc(CC(=O)N2CCOCC2)c(C)[nH+]1 ZINC001250281889 967619659 /nfs/dbraw/zinc/61/96/59/967619659.db2.gz ZAHNUKYQYLQVMZ-UHFFFAOYSA-N 1 2 234.299 1.100 20 0 BDADLO Cc1cc(NC[C@H]2CC(=O)N(C)C2)c[nH+]c1C ZINC001168726257 967644212 /nfs/dbraw/zinc/64/42/12/967644212.db2.gz KEXSCTSDMFCMBT-LLVKDONJSA-N 1 2 233.315 1.589 20 0 BDADLO CN1C[C@@H](CNc2ccn3cc[nH+]c3c2)CC1=O ZINC001168725597 967644559 /nfs/dbraw/zinc/64/45/59/967644559.db2.gz WNQNTNLYHIRVKE-SNVBAGLBSA-N 1 2 244.298 1.225 20 0 BDADLO c1cn(CCc2cnn([C@H]3CCOC3)c2)c[nH+]1 ZINC001250316362 967682092 /nfs/dbraw/zinc/68/20/92/967682092.db2.gz LOKRZZLMNSBMKE-LBPRGKRZSA-N 1 2 232.287 1.284 20 0 BDADLO c1cn(CCc2cnc3nonc3c2)c[nH+]1 ZINC001250316799 967687174 /nfs/dbraw/zinc/68/71/74/967687174.db2.gz YLGXOXHHAZGRHW-UHFFFAOYSA-N 1 2 215.216 1.057 20 0 BDADLO Nc1ccc(F)cc1CCn1cc[nH+]c1 ZINC001250320773 967698251 /nfs/dbraw/zinc/69/82/51/967698251.db2.gz PODIBBJHWHQSTB-UHFFFAOYSA-N 1 2 205.236 1.847 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC2CCCC2)C[N@@H+]1C ZINC001205567342 967699147 /nfs/dbraw/zinc/69/91/47/967699147.db2.gz OHAAVPBHXNLFAD-MNOVXSKESA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC2CCCC2)C[N@H+]1C ZINC001205567342 967699156 /nfs/dbraw/zinc/69/91/56/967699156.db2.gz OHAAVPBHXNLFAD-MNOVXSKESA-N 1 2 227.304 1.191 20 0 BDADLO CC(C)(C)OC(=O)C1CC([NH2+]CC(F)F)C1 ZINC001205718403 967798403 /nfs/dbraw/zinc/79/84/03/967798403.db2.gz YTKNSWXIOVPZEF-UHFFFAOYSA-N 1 2 235.274 1.961 20 0 BDADLO Cc1ccc(CN2CC(F)(F)C2)c(N)[nH+]1 ZINC001143194634 967820013 /nfs/dbraw/zinc/82/00/13/967820013.db2.gz GFYRDWWFGAWWEV-UHFFFAOYSA-N 1 2 213.231 1.423 20 0 BDADLO Cc1cccnc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001205807239 967831062 /nfs/dbraw/zinc/83/10/62/967831062.db2.gz FUENMMYQRIZMQI-PHIMTYICSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001205807239 967831063 /nfs/dbraw/zinc/83/10/63/967831063.db2.gz FUENMMYQRIZMQI-PHIMTYICSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2cnn(C)c2C1 ZINC001205807697 967832055 /nfs/dbraw/zinc/83/20/55/967832055.db2.gz UQYHJNWDOYDSGY-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2cnn(C)c2C1 ZINC001205807697 967832063 /nfs/dbraw/zinc/83/20/63/967832063.db2.gz UQYHJNWDOYDSGY-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001205828134 967841133 /nfs/dbraw/zinc/84/11/33/967841133.db2.gz OWVZCAPSRATTAU-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1cnccc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001205828134 967841137 /nfs/dbraw/zinc/84/11/37/967841137.db2.gz OWVZCAPSRATTAU-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Fc1ccnc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC001212537611 967850596 /nfs/dbraw/zinc/85/05/96/967850596.db2.gz ZQPLEXNBFBQWTG-UHFFFAOYSA-N 1 2 245.217 1.516 20 0 BDADLO Cc1cc(C)nc(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001273174543 968037092 /nfs/dbraw/zinc/03/70/92/968037092.db2.gz VGROPAKHTFCLRR-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1cc(C)nc(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001273174543 968037101 /nfs/dbraw/zinc/03/71/01/968037101.db2.gz VGROPAKHTFCLRR-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1nc(N2CCCC[C@H]2CO)c2c([nH+]1)CCC2 ZINC001163552411 968061199 /nfs/dbraw/zinc/06/11/99/968061199.db2.gz FRTKPIZWKPFDFU-NSHDSACASA-N 1 2 247.342 1.625 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)C2COC2)s1 ZINC001206171357 968107441 /nfs/dbraw/zinc/10/74/41/968107441.db2.gz KKMWFNNMSSCHMQ-UHFFFAOYSA-N 1 2 212.318 1.591 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)C2COC2)s1 ZINC001206171357 968107445 /nfs/dbraw/zinc/10/74/45/968107445.db2.gz KKMWFNNMSSCHMQ-UHFFFAOYSA-N 1 2 212.318 1.591 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CC(=O)N2 ZINC001206203105 968129123 /nfs/dbraw/zinc/12/91/23/968129123.db2.gz QJASMKKWOFZYRL-UHFFFAOYSA-N 1 2 213.240 1.582 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cn(C)cn2)C1 ZINC001206206830 968134146 /nfs/dbraw/zinc/13/41/46/968134146.db2.gz IPKNUBVOGBYOPU-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cn(C)cn2)C1 ZINC001206206830 968134155 /nfs/dbraw/zinc/13/41/55/968134155.db2.gz IPKNUBVOGBYOPU-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO CCc1ccc(N[C@H]2C=CS(=O)(=O)C2)[nH+]c1 ZINC001164014689 968156003 /nfs/dbraw/zinc/15/60/03/968156003.db2.gz BHORPIQWACOAOH-JTQLQIEISA-N 1 2 238.312 1.367 20 0 BDADLO COc1nc(C[NH2+]Cc2cnc(C)o2)ccc1C ZINC001206239959 968160330 /nfs/dbraw/zinc/16/03/30/968160330.db2.gz PYIDJJFAXFSYBF-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206238968 968161048 /nfs/dbraw/zinc/16/10/48/968161048.db2.gz XOWVNPBAIYFODB-SECBINFHSA-N 1 2 249.236 1.449 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206238968 968161051 /nfs/dbraw/zinc/16/10/51/968161051.db2.gz XOWVNPBAIYFODB-SECBINFHSA-N 1 2 249.236 1.449 20 0 BDADLO Nc1ccc[nH+]c1N1CCCC(=O)[C@H](F)C1 ZINC001164132139 968176659 /nfs/dbraw/zinc/17/66/59/968176659.db2.gz BCZVPKOUCPIXHP-MRVPVSSYSA-N 1 2 223.251 1.171 20 0 BDADLO COc1cccc([C@@H](O)C[N@H+](C)C2COC2)c1 ZINC001250711104 968199399 /nfs/dbraw/zinc/19/93/99/968199399.db2.gz DUSRPOCVEIXMKI-ZDUSSCGKSA-N 1 2 237.299 1.059 20 0 BDADLO COc1cccc([C@@H](O)C[N@@H+](C)C2COC2)c1 ZINC001250711104 968199405 /nfs/dbraw/zinc/19/94/05/968199405.db2.gz DUSRPOCVEIXMKI-ZDUSSCGKSA-N 1 2 237.299 1.059 20 0 BDADLO Cn1ccc(C[NH+]2CC(c3cccnc3)C2)n1 ZINC001206303844 968210391 /nfs/dbraw/zinc/21/03/91/968210391.db2.gz TWRLRBKILGONPH-UHFFFAOYSA-N 1 2 228.299 1.415 20 0 BDADLO O[C@H](CNc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC001250963432 968229962 /nfs/dbraw/zinc/22/99/62/968229962.db2.gz XQPURBPELGYJTE-MRVPVSSYSA-N 1 2 245.204 1.669 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC001250973369 968232525 /nfs/dbraw/zinc/23/25/25/968232525.db2.gz BMMOTSBOAWRSKK-CIUDSAMLSA-N 1 2 239.237 1.163 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC001250973369 968232535 /nfs/dbraw/zinc/23/25/35/968232535.db2.gz BMMOTSBOAWRSKK-CIUDSAMLSA-N 1 2 239.237 1.163 20 0 BDADLO C[C@H]1C[NH+](C[C@@H](O)C(F)(F)F)C[C@H](C)O1 ZINC001250973366 968233476 /nfs/dbraw/zinc/23/34/76/968233476.db2.gz WVPXEOVLFHYBAJ-BIIVOSGPSA-N 1 2 227.226 1.019 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccnn1C)C2 ZINC001206354959 968253802 /nfs/dbraw/zinc/25/38/02/968253802.db2.gz CGZBOTXEALVQDD-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccnn1C)C2 ZINC001206354959 968253810 /nfs/dbraw/zinc/25/38/10/968253810.db2.gz CGZBOTXEALVQDD-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO CN(C)c1cc(N2CC3(C2)CCCOC3)nc[nH+]1 ZINC001165305002 968280066 /nfs/dbraw/zinc/28/00/66/968280066.db2.gz PBBIBBMLKCQVLG-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CN(C)c1cc(N2CC3(C2)CCCOC3)[nH+]cn1 ZINC001165305002 968280074 /nfs/dbraw/zinc/28/00/74/968280074.db2.gz PBBIBBMLKCQVLG-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CN(C[C@H](O)CO)c1[nH+]ccc2ccccc21 ZINC001165528825 968289238 /nfs/dbraw/zinc/28/92/38/968289238.db2.gz MLGMQCIDRHFBPS-NSHDSACASA-N 1 2 232.283 1.024 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1noc(C)n1 ZINC001119245431 968292808 /nfs/dbraw/zinc/29/28/08/968292808.db2.gz PVQZJWXYLJFVSB-BIIVOSGPSA-N 1 2 213.281 1.452 20 0 BDADLO COC(C)(C)CNc1ccc2c([nH+]1)CCOC2 ZINC001165803966 968293325 /nfs/dbraw/zinc/29/33/25/968293325.db2.gz SWONNIBWBXDWJE-UHFFFAOYSA-N 1 2 236.315 1.991 20 0 BDADLO COc1cnccc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001206438032 968305005 /nfs/dbraw/zinc/30/50/05/968305005.db2.gz KGHQDMATMGEZTB-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1cnccc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001206438032 968305010 /nfs/dbraw/zinc/30/50/10/968305010.db2.gz KGHQDMATMGEZTB-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO CC[C@@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001251763769 968317121 /nfs/dbraw/zinc/31/71/21/968317121.db2.gz IPLOFSMIBISKEP-LLVKDONJSA-N 1 2 240.303 1.290 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](O)CC ZINC001251799496 968337164 /nfs/dbraw/zinc/33/71/64/968337164.db2.gz AMMZKCCFQUJTTL-GHMZBOCLSA-N 1 2 231.336 1.325 20 0 BDADLO COC(C)(C)[C@@H]1CCCN1c1cc(N)nc[nH+]1 ZINC001166795739 968389457 /nfs/dbraw/zinc/38/94/57/968389457.db2.gz JUAFXYXSLNUDBS-VIFPVBQESA-N 1 2 236.319 1.453 20 0 BDADLO CCN(c1nc(C)[nH+]c2c1CCC2)C1COC1 ZINC001166942690 968398842 /nfs/dbraw/zinc/39/88/42/968398842.db2.gz RIKMMJLFGOQBMK-UHFFFAOYSA-N 1 2 233.315 1.499 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccnc1OC)C2 ZINC001206590361 968407486 /nfs/dbraw/zinc/40/74/86/968407486.db2.gz TXYQZXFGWMTDFR-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccnc1OC)C2 ZINC001206590361 968407490 /nfs/dbraw/zinc/40/74/90/968407490.db2.gz TXYQZXFGWMTDFR-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO O[C@@H](C[NH+]1CC2(C1)CCCCO2)c1ccccc1 ZINC001251984168 968425058 /nfs/dbraw/zinc/42/50/58/968425058.db2.gz APDVFMFFYQOOFX-AWEZNQCLSA-N 1 2 247.338 1.975 20 0 BDADLO O[C@H](C[N@@H+]1CCn2nccc2C1)c1ccccc1 ZINC001251993442 968428608 /nfs/dbraw/zinc/42/86/08/968428608.db2.gz OPIFQKUMGHGAFR-CQSZACIVSA-N 1 2 243.310 1.432 20 0 BDADLO O[C@H](C[N@H+]1CCn2nccc2C1)c1ccccc1 ZINC001251993442 968428615 /nfs/dbraw/zinc/42/86/15/968428615.db2.gz OPIFQKUMGHGAFR-CQSZACIVSA-N 1 2 243.310 1.432 20 0 BDADLO Cc1cncc(C[NH2+][C@H](C)c2cc(CO)on2)c1 ZINC001119631285 968444086 /nfs/dbraw/zinc/44/40/86/968444086.db2.gz RIIYANOWXCYPPR-SNVBAGLBSA-N 1 2 247.298 1.721 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001206740545 968450339 /nfs/dbraw/zinc/45/03/39/968450339.db2.gz JRHKDRCKUWIQGD-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001206740545 968450344 /nfs/dbraw/zinc/45/03/44/968450344.db2.gz JRHKDRCKUWIQGD-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO CCCC[C@H](O)CNc1[nH+]cccc1O ZINC001252078855 968497110 /nfs/dbraw/zinc/49/71/10/968497110.db2.gz BHRHQVKGBVNCSC-VIFPVBQESA-N 1 2 210.277 1.750 20 0 BDADLO Cc1cccc(-c2noc([C@@]3([NH3+])CCOC3)n2)n1 ZINC000085852507 968506360 /nfs/dbraw/zinc/50/63/60/968506360.db2.gz SKSSLOYBANPLKA-GFCCVEGCSA-N 1 2 246.270 1.014 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2cnn(C)c2C1 ZINC001206988271 968527282 /nfs/dbraw/zinc/52/72/82/968527282.db2.gz AQCHEYXMFLRMII-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2cnn(C)c2C1 ZINC001206988271 968527290 /nfs/dbraw/zinc/52/72/90/968527290.db2.gz AQCHEYXMFLRMII-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO c1cnc(C[NH+]2CC3(C2)CCCC3)nc1 ZINC001207010647 968544968 /nfs/dbraw/zinc/54/49/68/968544968.db2.gz ZRNQCJIHKMLKHB-UHFFFAOYSA-N 1 2 203.289 1.853 20 0 BDADLO c1cnc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)nc1 ZINC001207012916 968550931 /nfs/dbraw/zinc/55/09/31/968550931.db2.gz USLOLFNZVRCXIJ-VXGBXAGGSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)nc1 ZINC001207012916 968550935 /nfs/dbraw/zinc/55/09/35/968550935.db2.gz USLOLFNZVRCXIJ-VXGBXAGGSA-N 1 2 233.315 1.478 20 0 BDADLO Fc1cccnc1C[N@@H+]1CC[C@]12CCOC2 ZINC001207035288 968571006 /nfs/dbraw/zinc/57/10/06/968571006.db2.gz JMEOWODOXZIJRH-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cccnc1C[N@H+]1CC[C@]12CCOC2 ZINC001207035288 968571014 /nfs/dbraw/zinc/57/10/14/968571014.db2.gz JMEOWODOXZIJRH-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048478 968580983 /nfs/dbraw/zinc/58/09/83/968580983.db2.gz QVHSTAVHZQQXIS-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048478 968580986 /nfs/dbraw/zinc/58/09/86/968580986.db2.gz QVHSTAVHZQQXIS-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3c(cnn3C)C2)s1 ZINC001207062992 968590426 /nfs/dbraw/zinc/59/04/26/968590426.db2.gz NDQKJYWTHJFECO-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3c(cnn3C)C2)s1 ZINC001207062992 968590433 /nfs/dbraw/zinc/59/04/33/968590433.db2.gz NDQKJYWTHJFECO-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccc(=O)[nH]2)C[C@@H](C)O1 ZINC001207064105 968596782 /nfs/dbraw/zinc/59/67/82/968596782.db2.gz KXZQZCXDVKCVHA-NXEZZACHSA-N 1 2 222.288 1.396 20 0 BDADLO O=c1cccc(C[N@@H+]2CCc3ncsc3C2)[nH]1 ZINC001207074165 968608620 /nfs/dbraw/zinc/60/86/20/968608620.db2.gz WROPGCGDXMXPDZ-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO O=c1cccc(C[N@H+]2CCc3ncsc3C2)[nH]1 ZINC001207074165 968608627 /nfs/dbraw/zinc/60/86/27/968608627.db2.gz WROPGCGDXMXPDZ-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO C[C@@]1(CO)CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207092218 968624910 /nfs/dbraw/zinc/62/49/10/968624910.db2.gz BRLGXAYIFBHORS-GFCCVEGCSA-N 1 2 242.269 1.564 20 0 BDADLO C[C@@]1(CO)CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207092218 968624915 /nfs/dbraw/zinc/62/49/15/968624915.db2.gz BRLGXAYIFBHORS-GFCCVEGCSA-N 1 2 242.269 1.564 20 0 BDADLO O[C@@H]1CCCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207093007 968626551 /nfs/dbraw/zinc/62/65/51/968626551.db2.gz IANGHAZUMZAWCJ-SNVBAGLBSA-N 1 2 242.269 1.707 20 0 BDADLO O[C@@H]1CCCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207093007 968626555 /nfs/dbraw/zinc/62/65/55/968626555.db2.gz IANGHAZUMZAWCJ-SNVBAGLBSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cc2F)CC[C@H]1O ZINC001207094284 968626628 /nfs/dbraw/zinc/62/66/28/968626628.db2.gz UBXRAKQRZHXXCI-QPUJVOFHSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cc2F)CC[C@H]1O ZINC001207094284 968626635 /nfs/dbraw/zinc/62/66/35/968626635.db2.gz UBXRAKQRZHXXCI-QPUJVOFHSA-N 1 2 242.269 1.563 20 0 BDADLO COC(=O)[C@H](O)CNc1[nH+]ccc2ccccc21 ZINC001252407055 968660853 /nfs/dbraw/zinc/66/08/53/968660853.db2.gz UOLKPRORRCNDLX-LLVKDONJSA-N 1 2 246.266 1.181 20 0 BDADLO C=Cc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001240828609 968707911 /nfs/dbraw/zinc/70/79/11/968707911.db2.gz WCXNKJAXMGTYFI-UHFFFAOYSA-N 1 2 203.201 1.339 20 0 BDADLO COc1cccc(CC[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC001207429994 968765649 /nfs/dbraw/zinc/76/56/49/968765649.db2.gz XDKNVNUNYBIPBB-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(CC[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC001207429994 968765658 /nfs/dbraw/zinc/76/56/58/968765658.db2.gz XDKNVNUNYBIPBB-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1cnc(C3CC3)o1)C2 ZINC000829078375 968821503 /nfs/dbraw/zinc/82/15/03/968821503.db2.gz GKZSRDCEOFAKJH-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO OC1(C(F)(F)F)C[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207616099 968837893 /nfs/dbraw/zinc/83/78/93/968837893.db2.gz RVOMCDJMXJJUOC-IVZWLZJFSA-N 1 2 247.260 1.808 20 0 BDADLO O[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628012 968840038 /nfs/dbraw/zinc/84/00/38/968840038.db2.gz FGHITTMHEDPYOL-USZNOCQGSA-N 1 2 243.297 1.901 20 0 BDADLO O[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628012 968840043 /nfs/dbraw/zinc/84/00/43/968840043.db2.gz FGHITTMHEDPYOL-USZNOCQGSA-N 1 2 243.297 1.901 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@H]1CC12CC2 ZINC001085842322 968859574 /nfs/dbraw/zinc/85/95/74/968859574.db2.gz QDMWPZAWFVAKAP-GHMZBOCLSA-N 1 2 240.322 1.289 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@H]1CC12CC2 ZINC001085842322 968859581 /nfs/dbraw/zinc/85/95/81/968859581.db2.gz QDMWPZAWFVAKAP-GHMZBOCLSA-N 1 2 240.322 1.289 20 0 BDADLO Cc1nc(NC2(C(N)=O)CC2)cc(C(C)C)[nH+]1 ZINC001155086546 968887158 /nfs/dbraw/zinc/88/71/58/968887158.db2.gz WJQHRTMREIZEDD-UHFFFAOYSA-N 1 2 234.303 1.338 20 0 BDADLO CC(C)(C)N1CC[N@H+](C[C@@H]2CCCO2)CC1=O ZINC001207860710 968908154 /nfs/dbraw/zinc/90/81/54/968908154.db2.gz GFPSGHCIMUXYQJ-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)(C)N1CC[N@@H+](C[C@@H]2CCCO2)CC1=O ZINC001207860710 968908157 /nfs/dbraw/zinc/90/81/57/968908157.db2.gz GFPSGHCIMUXYQJ-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1cc2c(nn1)CCOC2 ZINC001155181509 968918674 /nfs/dbraw/zinc/91/86/74/968918674.db2.gz KLKCNAREIOUCOO-UHFFFAOYSA-N 1 2 234.303 1.985 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2cc(Cl)ccn2)C1 ZINC001155192968 968923025 /nfs/dbraw/zinc/92/30/25/968923025.db2.gz AWLHMENAZYACFD-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2cc(Cl)ccn2)C1 ZINC001155192968 968923030 /nfs/dbraw/zinc/92/30/30/968923030.db2.gz AWLHMENAZYACFD-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO CCOc1ccc[nH+]c1NC[C@H]1CC(=O)N(C)C1 ZINC000723382746 969097823 /nfs/dbraw/zinc/09/78/23/969097823.db2.gz DCKGTFWCHPGLSL-SNVBAGLBSA-N 1 2 249.314 1.371 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cn1 ZINC001253288338 969129708 /nfs/dbraw/zinc/12/97/08/969129708.db2.gz XCHXHUJNZRMTGE-SNVBAGLBSA-N 1 2 230.271 1.786 20 0 BDADLO Cc1nnc(Cc2c[nH+]c3ccccn23)o1 ZINC001253416581 969169648 /nfs/dbraw/zinc/16/96/48/969169648.db2.gz YRQQHYRSRZXNRH-UHFFFAOYSA-N 1 2 214.228 1.617 20 0 BDADLO CC(=O)N1CCC(C[N@H+](C)CC(F)F)CC1 ZINC001208678675 969192236 /nfs/dbraw/zinc/19/22/36/969192236.db2.gz FBWMVDHZYZBZEP-UHFFFAOYSA-N 1 2 234.290 1.442 20 0 BDADLO CC(=O)N1CCC(C[N@@H+](C)CC(F)F)CC1 ZINC001208678675 969192242 /nfs/dbraw/zinc/19/22/42/969192242.db2.gz FBWMVDHZYZBZEP-UHFFFAOYSA-N 1 2 234.290 1.442 20 0 BDADLO C[C@@H](C[N@@H+]1CCNC(=O)C1)OCc1ccccc1 ZINC001208699518 969199487 /nfs/dbraw/zinc/19/94/87/969199487.db2.gz XNFLYFMLOGIWGT-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@@H](C[N@H+]1CCNC(=O)C1)OCc1ccccc1 ZINC001208699518 969199488 /nfs/dbraw/zinc/19/94/88/969199488.db2.gz XNFLYFMLOGIWGT-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO CCCCC[C@@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC001253536577 969212351 /nfs/dbraw/zinc/21/23/51/969212351.db2.gz SNBMFDSWSGMTFR-CYBMUJFWSA-N 1 2 242.407 1.954 20 0 BDADLO CCCCC[C@@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC001253536577 969212357 /nfs/dbraw/zinc/21/23/57/969212357.db2.gz SNBMFDSWSGMTFR-CYBMUJFWSA-N 1 2 242.407 1.954 20 0 BDADLO C[C@@H](c1nc(C2CCOCC2)no1)n1cc[nH+]c1 ZINC000349843614 969340378 /nfs/dbraw/zinc/34/03/78/969340378.db2.gz LCSYFLOGXRUDKY-VIFPVBQESA-N 1 2 248.286 1.769 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253722998 969346384 /nfs/dbraw/zinc/34/63/84/969346384.db2.gz YMPJFMQHPAFZPQ-ONGXEEELSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253722998 969346389 /nfs/dbraw/zinc/34/63/89/969346389.db2.gz YMPJFMQHPAFZPQ-ONGXEEELSA-N 1 2 231.311 1.396 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@H](O)C(C)(C)C)C2 ZINC001253729189 969353363 /nfs/dbraw/zinc/35/33/63/969353363.db2.gz SXNYPFXLTPOPDA-NSHDSACASA-N 1 2 223.320 1.143 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@H](O)C(C)(C)C)C2 ZINC001253729189 969353368 /nfs/dbraw/zinc/35/33/68/969353368.db2.gz SXNYPFXLTPOPDA-NSHDSACASA-N 1 2 223.320 1.143 20 0 BDADLO CC(=O)[C@H]1C[N@H+](CCCc2cccnc2)CCO1 ZINC001209180814 969373021 /nfs/dbraw/zinc/37/30/21/969373021.db2.gz KFMFJMOQRSUZOX-CQSZACIVSA-N 1 2 248.326 1.304 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](CCCc2cccnc2)CCO1 ZINC001209180814 969373029 /nfs/dbraw/zinc/37/30/29/969373029.db2.gz KFMFJMOQRSUZOX-CQSZACIVSA-N 1 2 248.326 1.304 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001253756838 969374318 /nfs/dbraw/zinc/37/43/18/969374318.db2.gz KCUYLLBCLJJRPK-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO CC1(C)OCC(C[NH+]2C[C@@H](F)[C@H](F)C2)CO1 ZINC001209193020 969382037 /nfs/dbraw/zinc/38/20/37/969382037.db2.gz RPDBOVLXTSHRAN-NXEZZACHSA-N 1 2 235.274 1.377 20 0 BDADLO COC1(C)C[NH+](CCOc2ccccc2)C1 ZINC001209295379 969427242 /nfs/dbraw/zinc/42/72/42/969427242.db2.gz JHBKHSBZNLNFQZ-UHFFFAOYSA-N 1 2 221.300 1.786 20 0 BDADLO CCOC(=O)CCCCCC[N@@H+]1CCC(=O)C1 ZINC001209352261 969448038 /nfs/dbraw/zinc/44/80/38/969448038.db2.gz PGORXZQZYJWNNX-UHFFFAOYSA-N 1 2 241.331 1.775 20 0 BDADLO CCOC(=O)CCCCCC[N@H+]1CCC(=O)C1 ZINC001209352261 969448044 /nfs/dbraw/zinc/44/80/44/969448044.db2.gz PGORXZQZYJWNNX-UHFFFAOYSA-N 1 2 241.331 1.775 20 0 BDADLO O[C@@H]1CCC[C@H](Nc2ccc3c([nH+]2)CCOC3)C1 ZINC001169246596 969534908 /nfs/dbraw/zinc/53/49/08/969534908.db2.gz CJVVLVHXBRALHK-NWDGAFQWSA-N 1 2 248.326 1.870 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001209554454 969538654 /nfs/dbraw/zinc/53/86/54/969538654.db2.gz HZRBJKIWNLVOJB-NSHDSACASA-N 1 2 211.284 1.900 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@](C)(CF)C1 ZINC001209554454 969538659 /nfs/dbraw/zinc/53/86/59/969538659.db2.gz HZRBJKIWNLVOJB-NSHDSACASA-N 1 2 211.284 1.900 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCC[C@@H]1CO ZINC001209553199 969539657 /nfs/dbraw/zinc/53/96/57/969539657.db2.gz RDMCYLNPRGJFMB-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2ccc(C)[nH]2)CC1 ZINC001209567195 969551411 /nfs/dbraw/zinc/55/14/11/969551411.db2.gz ZALMBVKOFAWSOX-UHFFFAOYSA-N 1 2 235.331 1.377 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209576217 969560609 /nfs/dbraw/zinc/56/06/09/969560609.db2.gz TXXOITNTKUSMLC-GFCCVEGCSA-N 1 2 224.304 1.170 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1ccc(C)[nH]1 ZINC001209576217 969560613 /nfs/dbraw/zinc/56/06/13/969560613.db2.gz TXXOITNTKUSMLC-GFCCVEGCSA-N 1 2 224.304 1.170 20 0 BDADLO COc1cc(C[NH+]2CC(C(F)F)C2)ccn1 ZINC001209644689 969569708 /nfs/dbraw/zinc/56/97/08/969569708.db2.gz BWEYBLAIMUHSBA-UHFFFAOYSA-N 1 2 228.242 1.787 20 0 BDADLO COc1cc(C[N@@H+]2CCCCC23COC3)ccn1 ZINC001209641900 969570824 /nfs/dbraw/zinc/57/08/24/969570824.db2.gz MKVFZPXTHGORJS-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cc(C[N@H+]2CCCCC23COC3)ccn1 ZINC001209641900 969570828 /nfs/dbraw/zinc/57/08/28/969570828.db2.gz MKVFZPXTHGORJS-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO Cc1noc(C2([NH2+][C@H]3CCCOC3)CC2)n1 ZINC001254372533 969584224 /nfs/dbraw/zinc/58/42/24/969584224.db2.gz UWBAPTVMTWTBPQ-VIFPVBQESA-N 1 2 223.276 1.136 20 0 BDADLO Nc1cc[nH+]cc1CN1CCC[C@]2(CCO2)C1 ZINC001209729922 969588796 /nfs/dbraw/zinc/58/87/96/969588796.db2.gz BEAJDADNLNNZTH-ZDUSSCGKSA-N 1 2 233.315 1.249 20 0 BDADLO Nc1ccncc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001209729922 969588804 /nfs/dbraw/zinc/58/88/04/969588804.db2.gz BEAJDADNLNNZTH-ZDUSSCGKSA-N 1 2 233.315 1.249 20 0 BDADLO Nc1ccncc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001209729922 969588809 /nfs/dbraw/zinc/58/88/09/969588809.db2.gz BEAJDADNLNNZTH-ZDUSSCGKSA-N 1 2 233.315 1.249 20 0 BDADLO CN(C)c1ccccc1C[N@@H+]1CCC12COC2 ZINC001209777880 969609611 /nfs/dbraw/zinc/60/96/11/969609611.db2.gz LPSFMYHXGIZUIW-UHFFFAOYSA-N 1 2 232.327 1.727 20 0 BDADLO CN(C)c1ccccc1C[N@H+]1CCC12COC2 ZINC001209777880 969609625 /nfs/dbraw/zinc/60/96/25/969609625.db2.gz LPSFMYHXGIZUIW-UHFFFAOYSA-N 1 2 232.327 1.727 20 0 BDADLO OCC1(F)C[NH+](C2CCC3(CC3)CC2)C1 ZINC001254441473 969628796 /nfs/dbraw/zinc/62/87/96/969628796.db2.gz QCJLGYDVQVJLQG-UHFFFAOYSA-N 1 2 213.296 1.725 20 0 BDADLO Cc1cc(NC[C@H]2COCC[N@H+]2C)cnc1C ZINC001169654500 969802194 /nfs/dbraw/zinc/80/21/94/969802194.db2.gz TZLMLSXTPDMSDN-ZDUSSCGKSA-N 1 2 235.331 1.441 20 0 BDADLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)cnc1C ZINC001169654500 969802197 /nfs/dbraw/zinc/80/21/97/969802197.db2.gz TZLMLSXTPDMSDN-ZDUSSCGKSA-N 1 2 235.331 1.441 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cccc2c1OCC2 ZINC001169655172 969802334 /nfs/dbraw/zinc/80/23/34/969802334.db2.gz FBBQTCUMLULBRU-LBPRGKRZSA-N 1 2 248.326 1.364 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cccc2c1OCC2 ZINC001169655172 969802336 /nfs/dbraw/zinc/80/23/36/969802336.db2.gz FBBQTCUMLULBRU-LBPRGKRZSA-N 1 2 248.326 1.364 20 0 BDADLO CCCOC(=O)C[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254939425 969829990 /nfs/dbraw/zinc/82/99/90/969829990.db2.gz GPAFMWWZPFZWSN-UWVGGRQHSA-N 1 2 239.315 1.287 20 0 BDADLO Cc1[nH+]cc(Nc2cccnc2CO)cc1N ZINC001210289231 969857447 /nfs/dbraw/zinc/85/74/47/969857447.db2.gz YRXBUFPDGMYRHU-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cc1[nH+]cc(Nc2cnn3c2OCCC3)cc1N ZINC001210287847 969857505 /nfs/dbraw/zinc/85/75/05/969857505.db2.gz CRKQLZUJHJFJBD-UHFFFAOYSA-N 1 2 245.286 1.695 20 0 BDADLO C=CC(=O)NCCNc1[nH+]cccc1OC(C)C ZINC001169813016 969865955 /nfs/dbraw/zinc/86/59/55/969865955.db2.gz JDUKJNLTIKKYFB-UHFFFAOYSA-N 1 2 249.314 1.583 20 0 BDADLO C/C(=C\C=C\N)[NH2+][C@H]1c2ccccc2CNC1=O ZINC001169885286 969872244 /nfs/dbraw/zinc/87/22/44/969872244.db2.gz OTMCTWVGATUVSV-HGXRISBISA-N 1 2 243.310 1.323 20 0 BDADLO COC(=O)C1([NH2+]C2CCSCC2)CC1 ZINC001255080192 969873311 /nfs/dbraw/zinc/87/33/11/969873311.db2.gz FLUYENADOFSCLE-UHFFFAOYSA-N 1 2 215.318 1.177 20 0 BDADLO CNC(=O)[C@H](C)Nc1ccc(C2CC2)c[nH+]1 ZINC001169986034 969937065 /nfs/dbraw/zinc/93/70/65/969937065.db2.gz AFVPAKZPQKZYIL-QMMMGPOBSA-N 1 2 219.288 1.505 20 0 BDADLO CN1CC[N@H+](C)C[C@@H]1c1nnc(C2CCC2)o1 ZINC001255221082 970008251 /nfs/dbraw/zinc/00/82/51/970008251.db2.gz QOBRVOPFOAZKPL-SNVBAGLBSA-N 1 2 236.319 1.255 20 0 BDADLO CN1CC[N@@H+](C)C[C@@H]1c1nnc(C2CCC2)o1 ZINC001255221082 970008256 /nfs/dbraw/zinc/00/82/56/970008256.db2.gz QOBRVOPFOAZKPL-SNVBAGLBSA-N 1 2 236.319 1.255 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCSC2)CCCC1 ZINC001255267776 970019164 /nfs/dbraw/zinc/01/91/64/970019164.db2.gz QVIHOQULQBBGSB-JTQLQIEISA-N 1 2 243.372 1.957 20 0 BDADLO COc1cnc(Nc2cc(C)[nH+]c(OC)c2)cn1 ZINC001210773676 970023944 /nfs/dbraw/zinc/02/39/44/970023944.db2.gz CWKJUTNMBQJHQT-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO c1cn2c(cccc2Nc2ccncn2)[nH+]1 ZINC001211023193 970119694 /nfs/dbraw/zinc/11/96/94/970119694.db2.gz RCCBCVGCJOVRON-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO CC(=O)[C@H](N[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001255412554 970127102 /nfs/dbraw/zinc/12/71/02/970127102.db2.gz SAZKQLITQDGUOP-KGLIPLIRSA-N 1 2 232.327 1.610 20 0 BDADLO CC(=O)[C@H](N[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001255412554 970127106 /nfs/dbraw/zinc/12/71/06/970127106.db2.gz SAZKQLITQDGUOP-KGLIPLIRSA-N 1 2 232.327 1.610 20 0 BDADLO Cc1ccccc1C1([NH2+][C@@H]2CCN(C)C2)COC1 ZINC001255423086 970148303 /nfs/dbraw/zinc/14/83/03/970148303.db2.gz SCRYYMBADOJRQN-CYBMUJFWSA-N 1 2 246.354 1.514 20 0 BDADLO CN1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001255472615 970202545 /nfs/dbraw/zinc/20/25/45/970202545.db2.gz YTTXUTMODHFGRU-JTQLQIEISA-N 1 2 236.319 1.131 20 0 BDADLO [NH3+]Cc1ncc(-c2cc(F)c(O)cc2F)cn1 ZINC001211349248 970242935 /nfs/dbraw/zinc/24/29/35/970242935.db2.gz BKCVOQMGJRSQLA-UHFFFAOYSA-N 1 2 237.209 1.586 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001243071651 970280826 /nfs/dbraw/zinc/28/08/26/970280826.db2.gz XBFJJYYRSDEDOD-UHFFFAOYSA-N 1 2 244.233 1.406 20 0 BDADLO CCOC(=O)C1([NH2+][C@H](C)COC)CCCC1 ZINC001255552995 970329456 /nfs/dbraw/zinc/32/94/56/970329456.db2.gz JKHGFXGHFJSMIW-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1c[nH+]cc(Nc2ncnn3cccc23)c1C ZINC001213522737 970336437 /nfs/dbraw/zinc/33/64/37/970336437.db2.gz FQWVKNWSMKHMGA-UHFFFAOYSA-N 1 2 239.282 1.907 20 0 BDADLO COC[C@@H](C)[NH2+]C1(c2ccccc2F)COC1 ZINC001255558753 970338319 /nfs/dbraw/zinc/33/83/19/970338319.db2.gz UXAXZEPHHNOFCO-SNVBAGLBSA-N 1 2 239.290 1.676 20 0 BDADLO Cc1c[nH+]cc(Nc2cn(C)nn2)c1C ZINC001213525273 970344908 /nfs/dbraw/zinc/34/49/08/970344908.db2.gz QAGSSXMAMZNDQI-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO Cc1c[nH+]cc(Nc2ccc(C(N)=O)nc2)c1C ZINC001213525417 970347785 /nfs/dbraw/zinc/34/77/85/970347785.db2.gz VJZIOTHOJDHRGX-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO COC[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001255571556 970363137 /nfs/dbraw/zinc/36/31/37/970363137.db2.gz QIEPCOIBSGQSEZ-YUMQZZPRSA-N 1 2 211.227 1.700 20 0 BDADLO COC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001255571556 970363148 /nfs/dbraw/zinc/36/31/48/970363148.db2.gz QIEPCOIBSGQSEZ-YUMQZZPRSA-N 1 2 211.227 1.700 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001255571553 970367570 /nfs/dbraw/zinc/36/75/70/970367570.db2.gz QIEPCOIBSGQSEZ-HTQZYQBOSA-N 1 2 211.227 1.700 20 0 BDADLO COC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001255571553 970367577 /nfs/dbraw/zinc/36/75/77/970367577.db2.gz QIEPCOIBSGQSEZ-HTQZYQBOSA-N 1 2 211.227 1.700 20 0 BDADLO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCSC1=O ZINC001255636487 970414262 /nfs/dbraw/zinc/41/42/62/970414262.db2.gz OTSYAAYBKXYOFK-RITPCOANSA-N 1 2 227.251 1.949 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnc(N)cn2)s1 ZINC000400097968 970549126 /nfs/dbraw/zinc/54/91/26/970549126.db2.gz LIHDUCDGLQVWNH-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnc(N)cn2)s1 ZINC000400097968 970549137 /nfs/dbraw/zinc/54/91/37/970549137.db2.gz LIHDUCDGLQVWNH-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO C[C@H]([NH2+]Cc1cnns1)c1cncs1 ZINC000400218291 970563851 /nfs/dbraw/zinc/56/38/51/970563851.db2.gz FTGZLEVSBAOTEG-LURJTMIESA-N 1 2 226.330 1.845 20 0 BDADLO CC[C@H]1C[C@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206378 970572301 /nfs/dbraw/zinc/57/23/01/970572301.db2.gz GIKPLIPTSNNFSK-MNOVXSKESA-N 1 2 248.317 1.485 20 0 BDADLO CC[C@H]1C[C@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206378 970572306 /nfs/dbraw/zinc/57/23/06/970572306.db2.gz GIKPLIPTSNNFSK-MNOVXSKESA-N 1 2 248.317 1.485 20 0 BDADLO CC[C@H]1C[C@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001170206378 970572310 /nfs/dbraw/zinc/57/23/10/970572310.db2.gz GIKPLIPTSNNFSK-MNOVXSKESA-N 1 2 248.317 1.485 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401601784 970712263 /nfs/dbraw/zinc/71/22/63/970712263.db2.gz BLVNQAKUGWPZCM-WDEREUQCSA-N 1 2 229.320 1.032 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401601784 970712279 /nfs/dbraw/zinc/71/22/79/970712279.db2.gz BLVNQAKUGWPZCM-WDEREUQCSA-N 1 2 229.320 1.032 20 0 BDADLO COC(=O)[C@]1([NH2+][C@@H](C)CCC(C)C)CCOC1 ZINC001256361134 970762605 /nfs/dbraw/zinc/76/26/05/970762605.db2.gz NXADAEBBEGZKQA-AAEUAGOBSA-N 1 2 243.347 1.733 20 0 BDADLO CCC(=O)[C@@H](CC)OCc1c[nH+]cn1C ZINC001222601150 972601948 /nfs/dbraw/zinc/60/19/48/972601948.db2.gz YLFFXUSYKJWQIK-LLVKDONJSA-N 1 2 210.277 1.694 20 0 BDADLO CC[NH+]1CC(OCc2ccc(C(=O)OC)o2)C1 ZINC001222778210 972692956 /nfs/dbraw/zinc/69/29/56/972692956.db2.gz CNZDFDRISRXOBK-UHFFFAOYSA-N 1 2 239.271 1.287 20 0 BDADLO COc1ccc(OC)c(COC2C[NH+](C)C2)c1 ZINC001222793190 972698886 /nfs/dbraw/zinc/69/88/86/972698886.db2.gz SEROPIIEZXARFN-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1ccc(O)cn1 ZINC001144264563 972721212 /nfs/dbraw/zinc/72/12/12/972721212.db2.gz WTSWGRZGHWEVNF-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1ccc(O)cn1 ZINC001144264563 972721223 /nfs/dbraw/zinc/72/12/23/972721223.db2.gz WTSWGRZGHWEVNF-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3ccncc3C2)nc1 ZINC001144265654 972724788 /nfs/dbraw/zinc/72/47/88/972724788.db2.gz UFEVXFGPVDXKEH-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3ccncc3C2)nc1 ZINC001144265654 972724805 /nfs/dbraw/zinc/72/48/05/972724805.db2.gz UFEVXFGPVDXKEH-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc(C[NH+]2CC3(CSC3)C2)nc1 ZINC001144264136 972725169 /nfs/dbraw/zinc/72/51/69/972725169.db2.gz JOFDGSXMLFYPKT-UHFFFAOYSA-N 1 2 222.313 1.336 20 0 BDADLO CCN(C(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2)C1C[NH+](C)C1 ZINC001144281909 972733655 /nfs/dbraw/zinc/73/36/55/972733655.db2.gz UWLHAFOKDHPGNJ-XUJVJEKNSA-N 1 2 248.370 1.751 20 0 BDADLO CCCO[C@@H]1CCC[N@H+](Cc2nnc[nH]2)CC1 ZINC001327870333 972775510 /nfs/dbraw/zinc/77/55/10/972775510.db2.gz HAIGDHVGGDDGBU-LLVKDONJSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001327870333 972775514 /nfs/dbraw/zinc/77/55/14/972775514.db2.gz HAIGDHVGGDDGBU-LLVKDONJSA-N 1 2 238.335 1.586 20 0 BDADLO COC(=O)[C@@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001223068466 972832084 /nfs/dbraw/zinc/83/20/84/972832084.db2.gz PQSQVQPQWCNPAY-LBPRGKRZSA-N 1 2 235.283 1.231 20 0 BDADLO C[NH+]1CCN(Cc2c(F)cc(O)cc2F)CC1 ZINC001144541467 972860042 /nfs/dbraw/zinc/86/00/42/972860042.db2.gz GNZMXFBHFMSIJG-UHFFFAOYSA-N 1 2 242.269 1.418 20 0 BDADLO c1nc(C[N@@H+]2CCCOCC2)c2ccccn12 ZINC001144610694 972884193 /nfs/dbraw/zinc/88/41/93/972884193.db2.gz AZDSOBDKVAEAMB-UHFFFAOYSA-N 1 2 231.299 1.557 20 0 BDADLO c1nc(C[N@H+]2CCCOCC2)c2ccccn12 ZINC001144610694 972884196 /nfs/dbraw/zinc/88/41/96/972884196.db2.gz AZDSOBDKVAEAMB-UHFFFAOYSA-N 1 2 231.299 1.557 20 0 BDADLO O[C@H]1C[N@H+](Cc2ncn3ccccc23)CC[C@H]1F ZINC001144611233 972885663 /nfs/dbraw/zinc/88/56/63/972885663.db2.gz KZLGDSADJYJNQY-MFKMUULPSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ncn3ccccc23)CC[C@H]1F ZINC001144611233 972885666 /nfs/dbraw/zinc/88/56/66/972885666.db2.gz KZLGDSADJYJNQY-MFKMUULPSA-N 1 2 249.289 1.239 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nnc(-c3ccccn3)o2)C1 ZINC001328159531 972887501 /nfs/dbraw/zinc/88/75/01/972887501.db2.gz ZTFYDLIFPNDFIJ-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nnc(-c3ccccn3)o2)C1 ZINC001328159531 972887508 /nfs/dbraw/zinc/88/75/08/972887508.db2.gz ZTFYDLIFPNDFIJ-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO CC(=O)OC1C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC001144717080 972957371 /nfs/dbraw/zinc/95/73/71/972957371.db2.gz ZMNLYZCUISJESF-UHFFFAOYSA-N 1 2 244.294 1.915 20 0 BDADLO C[NH+]1CC(NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001144768058 972987449 /nfs/dbraw/zinc/98/74/49/972987449.db2.gz HVRCBJZOSQGXGA-UHFFFAOYSA-N 1 2 248.370 1.633 20 0 BDADLO Cc1cc(COC2CCN(N)CC2)cc(C)[nH+]1 ZINC001223425731 973066283 /nfs/dbraw/zinc/06/62/83/973066283.db2.gz SPGOPZKEKCCPPL-UHFFFAOYSA-N 1 2 235.331 1.553 20 0 BDADLO Cc1cnc(COC2C[NH+](C)C2)c(C)c1 ZINC001223494661 973100781 /nfs/dbraw/zinc/10/07/81/973100781.db2.gz QAXHZPIRZRPKHE-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCS[C@H]1C)n1cc[nH+]c1 ZINC001328578107 973157750 /nfs/dbraw/zinc/15/77/50/973157750.db2.gz RYPOMHQLBLIISH-LPEHRKFASA-N 1 2 239.344 1.454 20 0 BDADLO COC(=O)c1cccc([C@H](C)OC2C[NH+](C)C2)c1 ZINC001223789135 973281043 /nfs/dbraw/zinc/28/10/43/973281043.db2.gz NANRTTKJZAFJRU-JTQLQIEISA-N 1 2 249.310 1.865 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cc[nH]c2)[nH+]1 ZINC001146887756 973314189 /nfs/dbraw/zinc/31/41/89/973314189.db2.gz DWOQVRKLMOALFS-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO CC[NH+]1CC(OCc2oc(C)nc2C)C1 ZINC001224054720 973429258 /nfs/dbraw/zinc/42/92/58/973429258.db2.gz HBZKTJYAVTWGHS-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cscn1 ZINC001147361150 973564856 /nfs/dbraw/zinc/56/48/56/973564856.db2.gz YDOBKFRSZIXKMG-UHFFFAOYSA-N 1 2 245.307 1.701 20 0 BDADLO CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001329374040 973713555 /nfs/dbraw/zinc/71/35/55/973713555.db2.gz ZHOQOFWQCXZAGU-PSASIEDQSA-N 1 2 239.319 1.500 20 0 BDADLO CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001329374040 973713565 /nfs/dbraw/zinc/71/35/65/973713565.db2.gz ZHOQOFWQCXZAGU-PSASIEDQSA-N 1 2 239.319 1.500 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001329487015 973798074 /nfs/dbraw/zinc/79/80/74/973798074.db2.gz BMWYFJSDBQSAGQ-QJPTWQEYSA-N 1 2 234.299 1.863 20 0 BDADLO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1csnn1 ZINC000128451156 973805724 /nfs/dbraw/zinc/80/57/24/973805724.db2.gz NNOXOIVMUFGVGW-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1csnn1 ZINC000128451156 973805728 /nfs/dbraw/zinc/80/57/28/973805728.db2.gz NNOXOIVMUFGVGW-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H](C(=O)NCCc1ccco1)n1cc[nH+]c1 ZINC000044835489 973824303 /nfs/dbraw/zinc/82/43/03/973824303.db2.gz MQFOADWGWCXSBU-SNVBAGLBSA-N 1 2 233.271 1.396 20 0 BDADLO C[C@H](C(=O)N(C)Cc1cccnc1)n1cc[nH+]c1 ZINC000044853350 973828080 /nfs/dbraw/zinc/82/80/80/973828080.db2.gz UWZWHGOQBCFKNJ-LLVKDONJSA-N 1 2 244.298 1.498 20 0 BDADLO Cc1c(F)c(F)ccc1C(=O)NC1C[NH+](C)C1 ZINC001148602313 973864234 /nfs/dbraw/zinc/86/42/34/973864234.db2.gz AIZDYXDZJVUPDV-UHFFFAOYSA-N 1 2 240.253 1.317 20 0 BDADLO CC(C)(C)c1cn(C[C@@H]2COCCO2)c[nH+]1 ZINC001329723303 973897230 /nfs/dbraw/zinc/89/72/30/973897230.db2.gz LVZBQAZXDWDYJG-SNVBAGLBSA-N 1 2 224.304 1.596 20 0 BDADLO CSCC[C@@H](C)[N@H+](C)Cc1nnc[nH]1 ZINC001329875669 973989761 /nfs/dbraw/zinc/98/97/61/973989761.db2.gz CSRVKYZWIWBUNG-MRVPVSSYSA-N 1 2 214.338 1.378 20 0 BDADLO CSCC[C@@H](C)[N@@H+](C)Cc1nnc[nH]1 ZINC001329875669 973989770 /nfs/dbraw/zinc/98/97/70/973989770.db2.gz CSRVKYZWIWBUNG-MRVPVSSYSA-N 1 2 214.338 1.378 20 0 BDADLO CC[C@H](C[C@H](C)O)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001329892285 974007391 /nfs/dbraw/zinc/00/73/91/974007391.db2.gz QQTLFTCSKWDDNQ-GARJFASQSA-N 1 2 239.319 1.110 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2c1c(F)cccc1F ZINC001277001215 974040013 /nfs/dbraw/zinc/04/00/13/974040013.db2.gz QPOYLPMHEWZQGP-DTORHVGOSA-N 1 2 224.254 1.858 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1c(F)cccc1F ZINC001277001215 974040024 /nfs/dbraw/zinc/04/00/24/974040024.db2.gz QPOYLPMHEWZQGP-DTORHVGOSA-N 1 2 224.254 1.858 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1nncn1C ZINC001329948628 974046608 /nfs/dbraw/zinc/04/66/08/974046608.db2.gz WANGKYXOFBWKPD-JGVFFNPUSA-N 1 2 237.332 1.683 20 0 BDADLO CCc1cc(C)nc(Nc2nccnc2C[NH3+])n1 ZINC001171448995 974070799 /nfs/dbraw/zinc/07/07/99/974070799.db2.gz BBLYIOQPQHTPSI-UHFFFAOYSA-N 1 2 244.302 1.340 20 0 BDADLO CCOC(=[NH2+])CCCCOC(=O)[C@@H](O)CC ZINC001224964311 974106082 /nfs/dbraw/zinc/10/60/82/974106082.db2.gz WPDBVFHHZOBUED-VIFPVBQESA-N 1 2 231.292 1.485 20 0 BDADLO Cc1cc([C@H](C)NC(=O)Cn2cc[nH+]c2)c(C)o1 ZINC001330111525 974113450 /nfs/dbraw/zinc/11/34/50/974113450.db2.gz YPYAIRXEMREMDA-JTQLQIEISA-N 1 2 247.298 1.970 20 0 BDADLO O=C1C[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C1CC1 ZINC001172013656 974257752 /nfs/dbraw/zinc/25/77/52/974257752.db2.gz ZCRGZTCULAZTBV-GARJFASQSA-N 1 2 244.285 1.132 20 0 BDADLO O=C1C[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C1CC1 ZINC001172013656 974257762 /nfs/dbraw/zinc/25/77/62/974257762.db2.gz ZCRGZTCULAZTBV-GARJFASQSA-N 1 2 244.285 1.132 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)N1CCn2c[nH+]cc2C1 ZINC001330574406 974327109 /nfs/dbraw/zinc/32/71/09/974327109.db2.gz SNRXZXQBYFNQJL-LLVKDONJSA-N 1 2 246.314 1.351 20 0 BDADLO Cc1ccc(O[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC001225277179 974342638 /nfs/dbraw/zinc/34/26/38/974342638.db2.gz LWRXURDQOLOOKG-LBPRGKRZSA-N 1 2 236.315 1.490 20 0 BDADLO CO[C@@H](C)CO[C@@H](C)COc1cc[nH+]cc1 ZINC001225296480 974375385 /nfs/dbraw/zinc/37/53/85/974375385.db2.gz VZMYTTDGKHTETD-QWRGUYRKSA-N 1 2 225.288 1.900 20 0 BDADLO CC(C)OC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216855 974439343 /nfs/dbraw/zinc/43/93/43/974439343.db2.gz PVAFKOQQZBTTSO-FGWVZKOKSA-N 1 2 227.304 1.238 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228864 974466668 /nfs/dbraw/zinc/46/66/68/974466668.db2.gz PENIPBCAIUNOIQ-FGWVZKOKSA-N 1 2 239.315 1.404 20 0 BDADLO O=C(NC/C=C/C1CC1)NCCCn1cc[nH+]c1 ZINC001330829396 974492394 /nfs/dbraw/zinc/49/23/94/974492394.db2.gz MCMRMPGBSZKSFY-HNQUOIGGSA-N 1 2 248.330 1.539 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172323961 974533941 /nfs/dbraw/zinc/53/39/41/974533941.db2.gz KLLVTLLREKPMJC-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CCn3nccc3C2)CO1 ZINC001172294576 974563423 /nfs/dbraw/zinc/56/34/23/974563423.db2.gz NDARXLDBWVKPKM-NSHDSACASA-N 1 2 221.304 1.266 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CCn3nccc3C2)CO1 ZINC001172294576 974563428 /nfs/dbraw/zinc/56/34/28/974563428.db2.gz NDARXLDBWVKPKM-NSHDSACASA-N 1 2 221.304 1.266 20 0 BDADLO C[NH+]1CC(Oc2ccc3cccc(O)c3n2)C1 ZINC001225585277 974569378 /nfs/dbraw/zinc/56/93/78/974569378.db2.gz IROPLDMNKULUPT-UHFFFAOYSA-N 1 2 230.267 1.633 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001331224394 974651895 /nfs/dbraw/zinc/65/18/95/974651895.db2.gz GYPMORBCEZODBN-WDEREUQCSA-N 1 2 231.299 1.800 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3n[nH]cc3c2)C1 ZINC001225719705 974659828 /nfs/dbraw/zinc/65/98/28/974659828.db2.gz GRXZLQRYRMFOKD-LBPRGKRZSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3n[nH]cc3c2)C1 ZINC001225719705 974659833 /nfs/dbraw/zinc/65/98/33/974659833.db2.gz GRXZLQRYRMFOKD-LBPRGKRZSA-N 1 2 247.298 1.272 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172416360 974684672 /nfs/dbraw/zinc/68/46/72/974684672.db2.gz GZZZQKYENRSDNK-GHMZBOCLSA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172416360 974684677 /nfs/dbraw/zinc/68/46/77/974684677.db2.gz GZZZQKYENRSDNK-GHMZBOCLSA-N 1 2 231.311 1.805 20 0 BDADLO O=C(NC[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331501506 974742099 /nfs/dbraw/zinc/74/20/99/974742099.db2.gz LHVDRHOBEGNTAH-HBNTYKKESA-N 1 2 249.314 1.056 20 0 BDADLO O=C(NC[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331501506 974742105 /nfs/dbraw/zinc/74/21/05/974742105.db2.gz LHVDRHOBEGNTAH-HBNTYKKESA-N 1 2 249.314 1.056 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2cccc3[nH]nnc32)C1 ZINC001225997316 974757204 /nfs/dbraw/zinc/75/72/04/974757204.db2.gz PRXRTWZTCFUFHK-UHFFFAOYSA-N 1 2 246.314 1.819 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCC(F)(F)F ZINC001331564544 974763280 /nfs/dbraw/zinc/76/32/80/974763280.db2.gz CNCZEJKWFWAXDE-SSDOTTSWSA-N 1 2 238.253 1.538 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCC(F)(F)F ZINC001331564544 974763282 /nfs/dbraw/zinc/76/32/82/974763282.db2.gz CNCZEJKWFWAXDE-SSDOTTSWSA-N 1 2 238.253 1.538 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3ccc(F)cc32)C1 ZINC001226375437 974870823 /nfs/dbraw/zinc/87/08/23/974870823.db2.gz WAISKMQXTKWYCQ-UHFFFAOYSA-N 1 2 247.273 1.852 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(O)cc1 ZINC001204096120 974900308 /nfs/dbraw/zinc/90/03/08/974900308.db2.gz IDCDBNKVKFDQLE-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(O)cc1 ZINC001204096120 974900312 /nfs/dbraw/zinc/90/03/12/974900312.db2.gz IDCDBNKVKFDQLE-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3cnoc3c2)C1 ZINC001226450917 974901507 /nfs/dbraw/zinc/90/15/07/974901507.db2.gz JCKMSQDQRAOPOL-GFCCVEGCSA-N 1 2 248.282 1.537 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3cnoc3c2)C1 ZINC001226450917 974901512 /nfs/dbraw/zinc/90/15/12/974901512.db2.gz JCKMSQDQRAOPOL-GFCCVEGCSA-N 1 2 248.282 1.537 20 0 BDADLO C/C(=C(\F)C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC001332097591 974951827 /nfs/dbraw/zinc/95/18/27/974951827.db2.gz PRGOFGSVZDANBF-FMIVXFBMSA-N 1 2 249.289 1.879 20 0 BDADLO CC[NH+]1CC(Oc2cc3c(nn2)CCCC3)C1 ZINC001226555897 974953226 /nfs/dbraw/zinc/95/32/26/974953226.db2.gz GSLXGTJVTNXGPC-UHFFFAOYSA-N 1 2 233.315 1.438 20 0 BDADLO Nc1cnn(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212692522 974965892 /nfs/dbraw/zinc/96/58/92/974965892.db2.gz YFXRTOAXXLFWEK-UHFFFAOYSA-N 1 2 239.282 1.699 20 0 BDADLO CCc1nc(N(C)[C@H](C)C[S@](C)=O)cc[nH+]1 ZINC001332265179 975037719 /nfs/dbraw/zinc/03/77/19/975037719.db2.gz BJUURSMOYVCGCY-ABKXIKBNSA-N 1 2 241.360 1.242 20 0 BDADLO COc1cccc2c1C[C@H]([N@H+](C)C1COC1)CO2 ZINC001173162653 975052732 /nfs/dbraw/zinc/05/27/32/975052732.db2.gz XTZHXZGQTMIYLJ-JTQLQIEISA-N 1 2 249.310 1.329 20 0 BDADLO COc1cccc2c1C[C@H]([N@@H+](C)C1COC1)CO2 ZINC001173162653 975052742 /nfs/dbraw/zinc/05/27/42/975052742.db2.gz XTZHXZGQTMIYLJ-JTQLQIEISA-N 1 2 249.310 1.329 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1cccn1C ZINC001203254253 975058206 /nfs/dbraw/zinc/05/82/06/975058206.db2.gz OGRPMWHHEKIHBN-JTQLQIEISA-N 1 2 206.289 1.579 20 0 BDADLO N[C@H](c1nc(C2([NH3+])CC2)no1)C1CCCCC1 ZINC001332516412 975190978 /nfs/dbraw/zinc/19/09/78/975190978.db2.gz SNFKWLVNHQVVIE-VIFPVBQESA-N 1 2 236.319 1.598 20 0 BDADLO CCc1cnc(=S)[nH]c1OC1C[NH+](CC)C1 ZINC001227055564 975245511 /nfs/dbraw/zinc/24/55/11/975245511.db2.gz LKNHDWDTNRYGJT-UHFFFAOYSA-N 1 2 239.344 1.411 20 0 BDADLO Cc1cc2c(ncnc2OC2C[NH+](C)C2)s1 ZINC001227054306 975245563 /nfs/dbraw/zinc/24/55/63/975245563.db2.gz ZCOKXAFJTRFPNB-UHFFFAOYSA-N 1 2 235.312 1.693 20 0 BDADLO C[C@@H](CC(=O)NOC(C)(C)C)n1cc[nH+]c1 ZINC001332710857 975268211 /nfs/dbraw/zinc/26/82/11/975268211.db2.gz FYIODSQNYHFUPQ-VIFPVBQESA-N 1 2 225.292 1.681 20 0 BDADLO CC[C@@H](CO)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001332869444 975301653 /nfs/dbraw/zinc/30/16/53/975301653.db2.gz ITJDMPBNURPJJZ-LBPRGKRZSA-N 1 2 248.326 1.106 20 0 BDADLO CC[C@@H](CO)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001332869444 975301661 /nfs/dbraw/zinc/30/16/61/975301661.db2.gz ITJDMPBNURPJJZ-LBPRGKRZSA-N 1 2 248.326 1.106 20 0 BDADLO CCN1CC[C@H]([NH2+]CC(=O)c2ccc(O)cc2)C1 ZINC001173357375 975317105 /nfs/dbraw/zinc/31/71/05/975317105.db2.gz JQBVBYIUYJDVJO-LBPRGKRZSA-N 1 2 248.326 1.259 20 0 BDADLO CC[N@@H+]1CC[C@H](NCC(=O)c2ccc(O)cc2)C1 ZINC001173357375 975317112 /nfs/dbraw/zinc/31/71/12/975317112.db2.gz JQBVBYIUYJDVJO-LBPRGKRZSA-N 1 2 248.326 1.259 20 0 BDADLO CC[N@H+]1CC[C@H](NCC(=O)c2ccc(O)cc2)C1 ZINC001173357375 975317121 /nfs/dbraw/zinc/31/71/21/975317121.db2.gz JQBVBYIUYJDVJO-LBPRGKRZSA-N 1 2 248.326 1.259 20 0 BDADLO COC1(C[N@H+](C)Cc2nnc(C)s2)CCC1 ZINC001333001201 975367426 /nfs/dbraw/zinc/36/74/26/975367426.db2.gz SWFYOTSRPOHYHA-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO COC1(C[N@@H+](C)Cc2nnc(C)s2)CCC1 ZINC001333001201 975367435 /nfs/dbraw/zinc/36/74/35/975367435.db2.gz SWFYOTSRPOHYHA-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccccc2F)C1 ZINC001203345966 975370035 /nfs/dbraw/zinc/37/00/35/975370035.db2.gz GDKBSCAUDVENMN-CMPLNLGQSA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccccc2F)C1 ZINC001203345966 975370044 /nfs/dbraw/zinc/37/00/44/975370044.db2.gz GDKBSCAUDVENMN-CMPLNLGQSA-N 1 2 241.281 1.978 20 0 BDADLO Cn1cnnc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001333260182 975597792 /nfs/dbraw/zinc/59/77/92/975597792.db2.gz JQDFUYVVERROLC-CYBMUJFWSA-N 1 2 243.314 1.451 20 0 BDADLO CC(=O)N=C1C=C[N@@H+](c2ccccc2)C=C1N ZINC001173791941 975615554 /nfs/dbraw/zinc/61/55/54/975615554.db2.gz HBVSUEPDABADMI-UHFFFAOYSA-N 1 2 227.267 1.507 20 0 BDADLO CC(=O)N=C1C=C[N@H+](c2ccccc2)C=C1N ZINC001173791941 975615560 /nfs/dbraw/zinc/61/55/60/975615560.db2.gz HBVSUEPDABADMI-UHFFFAOYSA-N 1 2 227.267 1.507 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001333313147 975650961 /nfs/dbraw/zinc/65/09/61/975650961.db2.gz TXTHAMZQBSPIHC-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001333313147 975650971 /nfs/dbraw/zinc/65/09/71/975650971.db2.gz TXTHAMZQBSPIHC-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO C[NH+]1CC(Oc2cccc3c[nH]nc32)C1 ZINC001227982322 975824038 /nfs/dbraw/zinc/82/40/38/975824038.db2.gz BTBHHZSFLIVSEG-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cnn(C)c2C)n1 ZINC001333594233 975879694 /nfs/dbraw/zinc/87/96/94/975879694.db2.gz ZNYFSLGCFGPKKI-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO Nc1cccc(-c2nnn(-c3cc[nH+]cc3)n2)c1 ZINC001173883331 975952844 /nfs/dbraw/zinc/95/28/44/975952844.db2.gz NCVBVXFTRGGVEM-UHFFFAOYSA-N 1 2 238.254 1.307 20 0 BDADLO COCn1ncc(C)c1C[N@@H+]1CCC[C@H](F)C1 ZINC001333835713 976111004 /nfs/dbraw/zinc/11/10/04/976111004.db2.gz WWKIJMDTUJVSOZ-NSHDSACASA-N 1 2 241.310 1.729 20 0 BDADLO COCn1ncc(C)c1C[N@H+]1CCC[C@H](F)C1 ZINC001333835713 976111013 /nfs/dbraw/zinc/11/10/13/976111013.db2.gz WWKIJMDTUJVSOZ-NSHDSACASA-N 1 2 241.310 1.729 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC001333984745 976197050 /nfs/dbraw/zinc/19/70/50/976197050.db2.gz QKYRTXPZZPPWFQ-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO Cc1nc(F)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001228557312 976326757 /nfs/dbraw/zinc/32/67/57/976326757.db2.gz YXWOCAREJCXJNP-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO Cc1nc(F)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001228557312 976326776 /nfs/dbraw/zinc/32/67/76/976326776.db2.gz YXWOCAREJCXJNP-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO c1nnc([C@@H]2CCC[N@H+]2CC[C@H]2CCOC2)[nH]1 ZINC001334376222 976479303 /nfs/dbraw/zinc/47/93/03/976479303.db2.gz MWKPJWMSTXGOHD-QWRGUYRKSA-N 1 2 236.319 1.368 20 0 BDADLO c1nnc([C@@H]2CCC[N@@H+]2CC[C@H]2CCOC2)[nH]1 ZINC001334376222 976479312 /nfs/dbraw/zinc/47/93/12/976479312.db2.gz MWKPJWMSTXGOHD-QWRGUYRKSA-N 1 2 236.319 1.368 20 0 BDADLO CC(C)[S@@](C)(=O)=NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001334388382 976484599 /nfs/dbraw/zinc/48/45/99/976484599.db2.gz BYCXMMCVKJEOQS-XXFAHNHDSA-N 1 2 243.332 1.477 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)n1cc[nH+]c1 ZINC001334559111 976554444 /nfs/dbraw/zinc/55/44/44/976554444.db2.gz QYQLARASLLTPKJ-MROQNXINSA-N 1 2 247.342 1.997 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)[C@@H]1CCOC1 ZINC001334942254 976803581 /nfs/dbraw/zinc/80/35/81/976803581.db2.gz UTPIRCVBYZAJOV-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)[C@@H]1CCOC1 ZINC001334942254 976803585 /nfs/dbraw/zinc/80/35/85/976803585.db2.gz UTPIRCVBYZAJOV-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO CN(C)c1cc(NCCC(C)(C)O)[nH+]cn1 ZINC001334985249 976816363 /nfs/dbraw/zinc/81/63/63/976816363.db2.gz QBMLLRYOLYTJJX-UHFFFAOYSA-N 1 2 224.308 1.116 20 0 BDADLO CN(C)c1cc(NCCC(C)(C)O)nc[nH+]1 ZINC001334985249 976816368 /nfs/dbraw/zinc/81/63/68/976816368.db2.gz QBMLLRYOLYTJJX-UHFFFAOYSA-N 1 2 224.308 1.116 20 0 BDADLO CCn1ccnc1CNc1nccn2c[nH+]cc12 ZINC001335001782 976820766 /nfs/dbraw/zinc/82/07/66/976820766.db2.gz UAFHFQXNQAWYPF-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BDADLO O=C(NCCCC(F)F)NCCn1cc[nH+]c1 ZINC001335121869 976857211 /nfs/dbraw/zinc/85/72/11/976857211.db2.gz SICFQDLHRJJLGP-UHFFFAOYSA-N 1 2 246.261 1.228 20 0 BDADLO CC[NH+]1CC(Oc2cccc3c2CCC(=O)N3)C1 ZINC001229638358 976926019 /nfs/dbraw/zinc/92/60/19/976926019.db2.gz ZEZMCGHLLPOQMK-UHFFFAOYSA-N 1 2 246.310 1.654 20 0 BDADLO Cc1ncc2c(c1OC1C[NH+](C(C)C)C1)COC2 ZINC001229789707 976988460 /nfs/dbraw/zinc/98/84/60/976988460.db2.gz UDQMXMMIIBJQPI-UHFFFAOYSA-N 1 2 248.326 1.892 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cncc(C)c1 ZINC001174755521 977054001 /nfs/dbraw/zinc/05/40/01/977054001.db2.gz KZIMNALAQRBDRO-UHFFFAOYSA-N 1 2 246.270 1.335 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2nccc3[nH]ccc32)C1 ZINC001230688880 977298637 /nfs/dbraw/zinc/29/86/37/977298637.db2.gz OYRGYMSQAVGSRS-SNVBAGLBSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2nccc3[nH]ccc32)C1 ZINC001230688880 977298651 /nfs/dbraw/zinc/29/86/51/977298651.db2.gz OYRGYMSQAVGSRS-SNVBAGLBSA-N 1 2 247.298 1.272 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccns1 ZINC001335848412 977301076 /nfs/dbraw/zinc/30/10/76/977301076.db2.gz XFRNCUPNAZAUJA-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccns1 ZINC001335848412 977301084 /nfs/dbraw/zinc/30/10/84/977301084.db2.gz XFRNCUPNAZAUJA-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO CC[NH+]1CC(Oc2ccc3ncccc3n2)C1 ZINC001230718323 977311742 /nfs/dbraw/zinc/31/17/42/977311742.db2.gz YNLZYLVBCBTMAC-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO CCc1ccc(OC[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001230852417 977349743 /nfs/dbraw/zinc/34/97/43/977349743.db2.gz YSSCUNJWZFANEU-LBPRGKRZSA-N 1 2 236.315 1.353 20 0 BDADLO CCc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001230852417 977349757 /nfs/dbraw/zinc/34/97/57/977349757.db2.gz YSSCUNJWZFANEU-LBPRGKRZSA-N 1 2 236.315 1.353 20 0 BDADLO Cc1cc(OC2C[NH+](C)C2)cc2c[nH]nc21 ZINC001230905959 977372334 /nfs/dbraw/zinc/37/23/34/977372334.db2.gz YFOHXEPIGYNRIQ-UHFFFAOYSA-N 1 2 217.272 1.564 20 0 BDADLO Oc1cc2c(cc1OC[C@H]1COCO1)CC[NH+]=C2 ZINC001230920947 977382304 /nfs/dbraw/zinc/38/23/04/977382304.db2.gz ZKGUSPCRSFTQPW-LLVKDONJSA-N 1 2 249.266 1.119 20 0 BDADLO CN(C)c1ccc(Nc2cnoc2)c[nH+]1 ZINC001175338334 977387991 /nfs/dbraw/zinc/38/79/91/977387991.db2.gz CLPGSLLKRXEVKF-UHFFFAOYSA-N 1 2 204.233 1.879 20 0 BDADLO CN(C)c1ccc(Nc2cnn(CCO)c2)c[nH+]1 ZINC001175341055 977388536 /nfs/dbraw/zinc/38/85/36/977388536.db2.gz OAARHKPFNIKLRL-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO CNC(=O)c1cc(Nc2cc(C)cc[nH+]2)ccn1 ZINC001175409051 977418821 /nfs/dbraw/zinc/41/88/21/977418821.db2.gz YGGSLJVYJSSRKV-UHFFFAOYSA-N 1 2 242.282 1.310 20 0 BDADLO Nc1ccc[nH+]c1Nc1cccc(CO)c1 ZINC001175509663 977482620 /nfs/dbraw/zinc/48/26/20/977482620.db2.gz OKGAOYGGEIUCGL-UHFFFAOYSA-N 1 2 215.256 1.900 20 0 BDADLO Cc1ccc2[nH]ncc2c1Nc1c[nH+]ncc1N ZINC001175523235 977504416 /nfs/dbraw/zinc/50/44/16/977504416.db2.gz BKYDMUMIIMLXAC-UHFFFAOYSA-N 1 2 240.270 1.987 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1(C)CC1 ZINC001336196417 977558958 /nfs/dbraw/zinc/55/89/58/977558958.db2.gz CLYIMLALXJQPGQ-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO C[N@@H+]1CCC=C(Nc2cc(=O)[nH]c(Cl)n2)C1 ZINC001175576102 977578561 /nfs/dbraw/zinc/57/85/61/977578561.db2.gz DYXSUJBBGPMYLX-UHFFFAOYSA-N 1 2 240.694 1.467 20 0 BDADLO C[N@H+]1CCC=C(Nc2cc(=O)[nH]c(Cl)n2)C1 ZINC001175576102 977578569 /nfs/dbraw/zinc/57/85/69/977578569.db2.gz DYXSUJBBGPMYLX-UHFFFAOYSA-N 1 2 240.694 1.467 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1(C)CC1 ZINC001336214674 977578951 /nfs/dbraw/zinc/57/89/51/977578951.db2.gz LWTKBTMOHMXYES-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1(C)CC1 ZINC001336214674 977578954 /nfs/dbraw/zinc/57/89/54/977578954.db2.gz LWTKBTMOHMXYES-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CNc1ccccc1C[NH2+]Cc1nncn1C ZINC001336262336 977603286 /nfs/dbraw/zinc/60/32/86/977603286.db2.gz MPTPMMIGTIZVKN-UHFFFAOYSA-N 1 2 231.303 1.147 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)s1 ZINC001231502452 977619623 /nfs/dbraw/zinc/61/96/23/977619623.db2.gz HLNFISVMKHRROS-SECBINFHSA-N 1 2 238.356 1.631 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)s1 ZINC001231502452 977619630 /nfs/dbraw/zinc/61/96/30/977619630.db2.gz HLNFISVMKHRROS-SECBINFHSA-N 1 2 238.356 1.631 20 0 BDADLO Cc1cc[nH+]c(Nc2cnc(N)nc2C)c1 ZINC001175663430 977639714 /nfs/dbraw/zinc/63/97/14/977639714.db2.gz FWGZZNFBMLZNGC-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CCc1ccc(N(C)CC(=O)N(CC)CC)[nH+]c1 ZINC001336454692 977700218 /nfs/dbraw/zinc/70/02/18/977700218.db2.gz KAUAAPRCJUAKKW-UHFFFAOYSA-N 1 2 249.358 1.949 20 0 BDADLO CCn1ncnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001336490715 977717348 /nfs/dbraw/zinc/71/73/48/977717348.db2.gz QGTVZJKGSUNSSC-UHFFFAOYSA-N 1 2 246.318 1.336 20 0 BDADLO CCc1ccc(N2CCO[C@@H](COC)C2)[nH+]c1 ZINC001336532174 977753506 /nfs/dbraw/zinc/75/35/06/977753506.db2.gz OBQKLXNTMUROEP-GFCCVEGCSA-N 1 2 236.315 1.496 20 0 BDADLO Cc1noc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC001336542908 977766160 /nfs/dbraw/zinc/76/61/60/977766160.db2.gz JACHTXWESZINGS-KOLCDFICSA-N 1 2 247.302 1.662 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](CO)OC[C@H]2C)[nH+]1 ZINC001336548472 977768896 /nfs/dbraw/zinc/76/88/96/977768896.db2.gz LLULWXMJGGCMGL-MWLCHTKSSA-N 1 2 240.278 1.115 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccnc(C(F)F)c1 ZINC001231887054 977782445 /nfs/dbraw/zinc/78/24/45/977782445.db2.gz LGSAJIVOXBOVSO-UHFFFAOYSA-N 1 2 243.257 1.197 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccnc(C(F)F)c1 ZINC001231887054 977782459 /nfs/dbraw/zinc/78/24/59/977782459.db2.gz LGSAJIVOXBOVSO-UHFFFAOYSA-N 1 2 243.257 1.197 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001336572893 977789244 /nfs/dbraw/zinc/78/92/44/977789244.db2.gz ZYCSZOVOUYYGSG-HTQZYQBOSA-N 1 2 211.240 1.192 20 0 BDADLO COc1cnc(C[NH+]2CC3(C2)CCOCC3)cn1 ZINC001231937930 977807749 /nfs/dbraw/zinc/80/77/49/977807749.db2.gz JWUFHXIVRCYHFF-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@](C)(C(N)=O)C2)[nH+]1 ZINC001336613561 977812834 /nfs/dbraw/zinc/81/28/34/977812834.db2.gz IBFARRROSSRBFQ-GFCCVEGCSA-N 1 2 237.278 1.231 20 0 BDADLO COc1cc[nH+]c(CN2CCC(=O)[C@H](F)C2)c1 ZINC001231968128 977813223 /nfs/dbraw/zinc/81/32/23/977813223.db2.gz JMFVIXWUOCVMSW-LLVKDONJSA-N 1 2 238.262 1.203 20 0 BDADLO Cc1cc(F)ncc1C[NH+]1CC2(COC2)C1 ZINC001231979060 977814259 /nfs/dbraw/zinc/81/42/59/977814259.db2.gz IQILZIKISQEILB-UHFFFAOYSA-N 1 2 222.263 1.361 20 0 BDADLO COc1nc(Cl)cnc1Nc1[nH]cc[nH+]1 ZINC001176079447 977874010 /nfs/dbraw/zinc/87/40/10/977874010.db2.gz IOEBVBSZMWGGSN-UHFFFAOYSA-N 1 2 225.639 1.605 20 0 BDADLO Cc1cc(N)c2ccnc-2n1-c1[nH]cc[nH+]1 ZINC001176081742 977875613 /nfs/dbraw/zinc/87/56/13/977875613.db2.gz BDRAOKRGLJOXOZ-UHFFFAOYSA-N 1 2 213.244 1.591 20 0 BDADLO c1c(C[N@H+](C2CC2)C2COC2)[nH]c2cccnc12 ZINC001232064308 977878346 /nfs/dbraw/zinc/87/83/46/977878346.db2.gz FDZXFUBINXDSBL-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1c(C[N@@H+](C2CC2)C2COC2)[nH]c2cccnc12 ZINC001232064308 977878351 /nfs/dbraw/zinc/87/83/51/977878351.db2.gz FDZXFUBINXDSBL-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(C)nc2C)C1 ZINC001232083696 977884873 /nfs/dbraw/zinc/88/48/73/977884873.db2.gz HMECAYGIIPDLLP-UHFFFAOYSA-N 1 2 248.326 1.693 20 0 BDADLO Nc1ccccc1-c1nccn1-c1[nH]cc[nH+]1 ZINC001176085317 977886515 /nfs/dbraw/zinc/88/65/15/977886515.db2.gz GFGCHQOVHAHQNW-UHFFFAOYSA-N 1 2 225.255 1.845 20 0 BDADLO Cc1cccnc1[C@H](C)Nc1cc(N)nc[nH+]1 ZINC001336761856 977931245 /nfs/dbraw/zinc/93/12/45/977931245.db2.gz VYVKEFINQPAXRT-VIFPVBQESA-N 1 2 229.287 1.935 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc(C(N)=O)nc1 ZINC001176118531 977948758 /nfs/dbraw/zinc/94/87/58/977948758.db2.gz NGGQYYVXJBCNDX-UHFFFAOYSA-N 1 2 244.254 1.328 20 0 BDADLO COCCn1nccc1Nc1c[nH+]ccc1OC ZINC001176119353 977948773 /nfs/dbraw/zinc/94/87/73/977948773.db2.gz QCQQDCNQDDYIAH-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO COc1cc[nH+]cc1-n1nc2cnccc2c1N ZINC001176118808 977948969 /nfs/dbraw/zinc/94/89/69/977948969.db2.gz IXUMLGLONCXTGW-UHFFFAOYSA-N 1 2 241.254 1.406 20 0 BDADLO COc1cc[nH+]cc1-n1cc(N)c(Cl)n1 ZINC001176119618 977952994 /nfs/dbraw/zinc/95/29/94/977952994.db2.gz WNDBIYRGIYDNFL-UHFFFAOYSA-N 1 2 224.651 1.512 20 0 BDADLO COCCn1cnc(Nc2c[nH+]ccc2OC)c1 ZINC001176121999 977958510 /nfs/dbraw/zinc/95/85/10/977958510.db2.gz YKJDLQOLTRLQIJ-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)s1 ZINC001232242911 977970866 /nfs/dbraw/zinc/97/08/66/977970866.db2.gz NNOBESLIIKNPTD-IUCAKERBSA-N 1 2 245.323 1.141 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)s1 ZINC001232242911 977970876 /nfs/dbraw/zinc/97/08/76/977970876.db2.gz NNOBESLIIKNPTD-IUCAKERBSA-N 1 2 245.323 1.141 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCCC(=O)CC1 ZINC001232339828 978016114 /nfs/dbraw/zinc/01/61/14/978016114.db2.gz VVGJJYHIEZUSFO-UHFFFAOYSA-N 1 2 233.315 1.527 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCCC(=O)CC1 ZINC001232339828 978016129 /nfs/dbraw/zinc/01/61/29/978016129.db2.gz VVGJJYHIEZUSFO-UHFFFAOYSA-N 1 2 233.315 1.527 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC001232348372 978029491 /nfs/dbraw/zinc/02/94/91/978029491.db2.gz GOQRUAZUBMNJBD-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO COc1cc(C)c(C[N@H+]2CC[C@H](F)C2)cn1 ZINC001232348372 978029500 /nfs/dbraw/zinc/02/95/00/978029500.db2.gz GOQRUAZUBMNJBD-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@]3(CCO3)C2)[nH]1 ZINC001232463905 978107766 /nfs/dbraw/zinc/10/77/66/978107766.db2.gz OMGCJGNWSWGKLF-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@]3(CCO3)C2)[nH]1 ZINC001232463905 978107769 /nfs/dbraw/zinc/10/77/69/978107769.db2.gz OMGCJGNWSWGKLF-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@]3(CCO3)C2)c[nH]1 ZINC001232463905 978107774 /nfs/dbraw/zinc/10/77/74/978107774.db2.gz OMGCJGNWSWGKLF-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@]3(CCO3)C2)c[nH]1 ZINC001232463905 978107781 /nfs/dbraw/zinc/10/77/81/978107781.db2.gz OMGCJGNWSWGKLF-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1c[nH+]c(C)[nH]1 ZINC001232468936 978119656 /nfs/dbraw/zinc/11/96/56/978119656.db2.gz RBOKHBCBZQLIOJ-USWWRNFRSA-N 1 2 249.314 1.244 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1c[nH]c(C)[nH+]1 ZINC001232468936 978119665 /nfs/dbraw/zinc/11/96/65/978119665.db2.gz RBOKHBCBZQLIOJ-USWWRNFRSA-N 1 2 249.314 1.244 20 0 BDADLO Fc1ccnc(CN2CCn3c[nH+]cc3C2)c1 ZINC001232495076 978146257 /nfs/dbraw/zinc/14/62/57/978146257.db2.gz MSZPBXQGNUNUPL-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC001232506539 978157935 /nfs/dbraw/zinc/15/79/35/978157935.db2.gz GTLKSEHRDVVVKP-GFCCVEGCSA-N 1 2 242.269 1.314 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1CC[C@](F)(CO)C1 ZINC001232506539 978157940 /nfs/dbraw/zinc/15/79/40/978157940.db2.gz GTLKSEHRDVVVKP-GFCCVEGCSA-N 1 2 242.269 1.314 20 0 BDADLO CC[N@H+](Cc1cc(F)ccc1N)C1COC1 ZINC001232511429 978159441 /nfs/dbraw/zinc/15/94/41/978159441.db2.gz GVFIZQPRODQTIM-UHFFFAOYSA-N 1 2 224.279 1.629 20 0 BDADLO CC[N@@H+](Cc1cc(F)ccc1N)C1COC1 ZINC001232511429 978159445 /nfs/dbraw/zinc/15/94/45/978159445.db2.gz GVFIZQPRODQTIM-UHFFFAOYSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1CCC(=O)CN1Cc1cccc(N(C)C)[nH+]1 ZINC001176735233 978169612 /nfs/dbraw/zinc/16/96/12/978169612.db2.gz QOVJOXFKEPAVHN-LLVKDONJSA-N 1 2 247.342 1.701 20 0 BDADLO c1cc2cc(C[NH+]3CC4(COC4)C3)ncc2o1 ZINC001232550044 978177131 /nfs/dbraw/zinc/17/71/31/978177131.db2.gz QKWGVUIFEOZECP-UHFFFAOYSA-N 1 2 230.267 1.660 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnn(C(F)F)c1 ZINC001176826984 978191524 /nfs/dbraw/zinc/19/15/24/978191524.db2.gz APAQDAXVUOPQPI-UHFFFAOYSA-N 1 2 241.201 1.183 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnc2occc2c1 ZINC001176827325 978191561 /nfs/dbraw/zinc/19/15/61/978191561.db2.gz IIJCKBDRZKHHMV-UHFFFAOYSA-N 1 2 242.238 1.732 20 0 BDADLO CCCOC1C[NH+](Cc2c[nH]c3ncncc23)C1 ZINC001232657257 978219563 /nfs/dbraw/zinc/21/95/63/978219563.db2.gz PYXUIPFJOBMIFX-UHFFFAOYSA-N 1 2 246.314 1.520 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@H]2[C@H](C)O)[nH+]1 ZINC001337220011 978220216 /nfs/dbraw/zinc/22/02/16/978220216.db2.gz DSQMFJHWNPZDKX-GXSJLCMTSA-N 1 2 224.279 1.879 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H](F)C1 ZINC001176884050 978223446 /nfs/dbraw/zinc/22/34/46/978223446.db2.gz SJINWVXSTHMAOF-MGCOHNPYSA-N 1 2 225.267 1.138 20 0 BDADLO Cc1cncnc1NC(=O)CCn1cc[nH+]c1 ZINC001176874526 978224293 /nfs/dbraw/zinc/22/42/93/978224293.db2.gz WJIWFORQYPTOAM-UHFFFAOYSA-N 1 2 231.259 1.010 20 0 BDADLO CCc1ncoc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001337238247 978238405 /nfs/dbraw/zinc/23/84/05/978238405.db2.gz VJMXTSZZGPNQFR-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCN(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957354 978262517 /nfs/dbraw/zinc/26/25/17/978262517.db2.gz HLMADHPOKBASQF-LBPRGKRZSA-N 1 2 247.342 1.776 20 0 BDADLO CCc1ccc2c(c1)C[N@H+]([C@H]1CCOC1=O)CC2 ZINC001177033907 978265905 /nfs/dbraw/zinc/26/59/05/978265905.db2.gz YSJCKEURWDKNMD-AWEZNQCLSA-N 1 2 245.322 1.923 20 0 BDADLO CCc1ccc2c(c1)C[N@@H+]([C@H]1CCOC1=O)CC2 ZINC001177033907 978265915 /nfs/dbraw/zinc/26/59/15/978265915.db2.gz YSJCKEURWDKNMD-AWEZNQCLSA-N 1 2 245.322 1.923 20 0 BDADLO CCCn1cnc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001232797661 978286216 /nfs/dbraw/zinc/28/62/16/978286216.db2.gz NCEWWEHOWXAIAI-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cnn(CC)c2)c[nH+]1 ZINC001597251129 978301566 /nfs/dbraw/zinc/30/15/66/978301566.db2.gz OYAJJLJPWHFCLQ-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cnn(CC)c2)[nH+]1 ZINC001597251129 978301574 /nfs/dbraw/zinc/30/15/74/978301574.db2.gz OYAJJLJPWHFCLQ-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO Fc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001203353466 978317698 /nfs/dbraw/zinc/31/76/98/978317698.db2.gz HUTJMWFPVVWQFP-QWRGUYRKSA-N 1 2 207.248 1.799 20 0 BDADLO Fc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001203353466 978317710 /nfs/dbraw/zinc/31/77/10/978317710.db2.gz HUTJMWFPVVWQFP-QWRGUYRKSA-N 1 2 207.248 1.799 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cc(C)cc(O)c2)C1 ZINC001232884368 978324409 /nfs/dbraw/zinc/32/44/09/978324409.db2.gz MVCGZKRWDGMNRW-UHFFFAOYSA-N 1 2 249.310 1.696 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1F)CC1COC1 ZINC001232934196 978340616 /nfs/dbraw/zinc/34/06/16/978340616.db2.gz BEUYNSSGRKGYPU-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1F)CC1COC1 ZINC001232934196 978340621 /nfs/dbraw/zinc/34/06/21/978340621.db2.gz BEUYNSSGRKGYPU-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO C[C@H](NC(=O)CN(C)c1cccc[nH+]1)C1CC1 ZINC001177413975 978351878 /nfs/dbraw/zinc/35/18/78/978351878.db2.gz MZQHMXDGMUSBMS-JTQLQIEISA-N 1 2 233.315 1.433 20 0 BDADLO CN(CC(=O)NCC(C)(F)F)c1cccc[nH+]1 ZINC001177408336 978351962 /nfs/dbraw/zinc/35/19/62/978351962.db2.gz CSMPNWNEPFOXMK-UHFFFAOYSA-N 1 2 243.257 1.289 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC001337509728 978382563 /nfs/dbraw/zinc/38/25/63/978382563.db2.gz MLWKPGZGEPHLRX-FZMZJTMJSA-N 1 2 246.310 1.485 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001233008513 978398095 /nfs/dbraw/zinc/39/80/95/978398095.db2.gz CIPLGLFIFDBPLQ-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCn3nccc3C2)cn1 ZINC001233008513 978398109 /nfs/dbraw/zinc/39/81/09/978398109.db2.gz CIPLGLFIFDBPLQ-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCOC1 ZINC001337641568 978437601 /nfs/dbraw/zinc/43/76/01/978437601.db2.gz YVYQWAJHKKKVEG-NSHDSACASA-N 1 2 234.299 1.485 20 0 BDADLO C[C@H](C(=O)Nc1cncc(O)c1)n1cc[nH+]c1 ZINC001177922573 978472316 /nfs/dbraw/zinc/47/23/16/978472316.db2.gz WUXUFOSYGOGWHA-MRVPVSSYSA-N 1 2 232.243 1.183 20 0 BDADLO Cc1cccc(N)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177925184 978475266 /nfs/dbraw/zinc/47/52/66/978475266.db2.gz AXJKLIBWELBTPU-SNVBAGLBSA-N 1 2 244.298 1.973 20 0 BDADLO C[C@H](C(=O)N(C)c1ccccc1N)n1cc[nH+]c1 ZINC001177925729 978476599 /nfs/dbraw/zinc/47/65/99/978476599.db2.gz POGGRKDNDVOQHQ-SNVBAGLBSA-N 1 2 244.298 1.689 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1O ZINC001233234359 978506008 /nfs/dbraw/zinc/50/60/08/978506008.db2.gz UAPJMLISQQSMCE-TXEJJXNPSA-N 1 2 219.284 1.674 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1O ZINC001233234359 978506015 /nfs/dbraw/zinc/50/60/15/978506015.db2.gz UAPJMLISQQSMCE-TXEJJXNPSA-N 1 2 219.284 1.674 20 0 BDADLO CCCn1c[nH+]cc1CNc1ccn(CCO)n1 ZINC001178147743 978511148 /nfs/dbraw/zinc/51/11/48/978511148.db2.gz GMLPNFGIKRWWJU-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1cc(F)cc(N2CCS(=O)CC2)[nH+]1 ZINC001337838069 978521001 /nfs/dbraw/zinc/52/10/01/978521001.db2.gz ZNPDIJMOVQNPQU-UHFFFAOYSA-N 1 2 228.292 1.098 20 0 BDADLO CCc1ccc(N2CC[C@@](C)(C(=O)NC)C2)[nH+]c1 ZINC001337859909 978534272 /nfs/dbraw/zinc/53/42/72/978534272.db2.gz URDGSEOWQVJLRQ-CQSZACIVSA-N 1 2 247.342 1.606 20 0 BDADLO CCc1ccc(N(C)[C@H]2CCN(C)C2=O)[nH+]c1 ZINC001337866803 978536952 /nfs/dbraw/zinc/53/69/52/978536952.db2.gz AHHJVZHODPMPPG-NSHDSACASA-N 1 2 233.315 1.311 20 0 BDADLO CCc1ccc(N2CCO[C@@H]([C@H](C)O)C2)[nH+]c1 ZINC001337910130 978561120 /nfs/dbraw/zinc/56/11/20/978561120.db2.gz MZDPIWYJTPMRSZ-CMPLNLGQSA-N 1 2 236.315 1.230 20 0 BDADLO C/C=C(C)/C=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC001178512702 978580652 /nfs/dbraw/zinc/58/06/52/978580652.db2.gz WGNCFGRNTBABES-AORIPKDHSA-N 1 2 233.315 1.601 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@](F)(CO)C2)[nH+]1 ZINC001337974615 978580987 /nfs/dbraw/zinc/58/09/87/978580987.db2.gz RHABKLPVPBWPST-NSHDSACASA-N 1 2 228.242 1.440 20 0 BDADLO Nc1cccc(CN2Cc3ccncc3C2)[nH+]1 ZINC001233371372 978583765 /nfs/dbraw/zinc/58/37/65/978583765.db2.gz NEVJYSZEEQNIMD-UHFFFAOYSA-N 1 2 226.283 1.575 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(N)n1 ZINC001233372289 978588819 /nfs/dbraw/zinc/58/88/19/978588819.db2.gz HXIPXYRGRDEPQB-GFCCVEGCSA-N 1 2 233.315 1.607 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(N)n1 ZINC001233372289 978588824 /nfs/dbraw/zinc/58/88/24/978588824.db2.gz HXIPXYRGRDEPQB-GFCCVEGCSA-N 1 2 233.315 1.607 20 0 BDADLO CC1(C)CN(Cc2cccc(N)[nH+]2)CCC1=O ZINC001233371863 978589642 /nfs/dbraw/zinc/58/96/42/978589642.db2.gz LJNRRIIPXRTXJZ-UHFFFAOYSA-N 1 2 233.315 1.465 20 0 BDADLO Nc1cc(N[C@@H]2CCCn3nccc32)[nH+]cn1 ZINC001338067233 978601889 /nfs/dbraw/zinc/60/18/89/978601889.db2.gz GYQVZTRILFFWFQ-MRVPVSSYSA-N 1 2 230.275 1.202 20 0 BDADLO CCc1[nH]c(CNC(=O)c2n[nH]c(C)c2C)c[nH+]1 ZINC001178670390 978603373 /nfs/dbraw/zinc/60/33/73/978603373.db2.gz XOVNUUUVVHKBBF-UHFFFAOYSA-N 1 2 247.302 1.242 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2n[nH]c(C)c2C)[nH+]1 ZINC001178670390 978603377 /nfs/dbraw/zinc/60/33/77/978603377.db2.gz XOVNUUUVVHKBBF-UHFFFAOYSA-N 1 2 247.302 1.242 20 0 BDADLO CCc1[nH]c(CNC(=O)CCCCOC)c[nH+]1 ZINC001178670341 978603635 /nfs/dbraw/zinc/60/36/35/978603635.db2.gz VWKBFJGSTMNUOX-UHFFFAOYSA-N 1 2 239.319 1.405 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCCCOC)[nH+]1 ZINC001178670341 978603637 /nfs/dbraw/zinc/60/36/37/978603637.db2.gz VWKBFJGSTMNUOX-UHFFFAOYSA-N 1 2 239.319 1.405 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233449850 978607892 /nfs/dbraw/zinc/60/78/92/978607892.db2.gz VIQGGUJQVVGRPA-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233449850 978607898 /nfs/dbraw/zinc/60/78/98/978607898.db2.gz VIQGGUJQVVGRPA-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(c2)CCCO3)C1 ZINC001233582790 978634986 /nfs/dbraw/zinc/63/49/86/978634986.db2.gz BWJVGFLSFFTFGA-UHFFFAOYSA-N 1 2 219.284 1.704 20 0 BDADLO C[NH+]1CC(Oc2n[nH]c3c2cccc3F)C1 ZINC001233611847 978649181 /nfs/dbraw/zinc/64/91/81/978649181.db2.gz MLBQDFSQYYBRSQ-UHFFFAOYSA-N 1 2 221.235 1.395 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000069847483 978764171 /nfs/dbraw/zinc/76/41/71/978764171.db2.gz NHYPOOOLIWXJNY-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@]1(F)CCOC1 ZINC001338993221 978769453 /nfs/dbraw/zinc/76/94/53/978769453.db2.gz QWCDRNVDESDDDK-LBPRGKRZSA-N 1 2 238.262 1.187 20 0 BDADLO COc1c(F)nccc1OC1C[NH+](C(C)C)C1 ZINC001234259955 978805866 /nfs/dbraw/zinc/80/58/66/978805866.db2.gz CRLWGYQOGHLSJE-UHFFFAOYSA-N 1 2 240.278 1.701 20 0 BDADLO C=C(F)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001180112424 978820399 /nfs/dbraw/zinc/82/03/99/978820399.db2.gz BKNROHSIIDXRCY-UHFFFAOYSA-N 1 2 205.192 1.756 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@@H]2CO)[nH+]1 ZINC001339688511 978895254 /nfs/dbraw/zinc/89/52/54/978895254.db2.gz UNUQKVKIGHTUEO-KCJUWKMLSA-N 1 2 224.279 1.736 20 0 BDADLO C[C@@H](C(=O)Nc1ncccc1O)[NH+]1CCCC1 ZINC001180578333 978899057 /nfs/dbraw/zinc/89/90/57/978899057.db2.gz ZWZGHPAXPRURJO-VIFPVBQESA-N 1 2 235.287 1.210 20 0 BDADLO CCc1ccc(N(C)C[C@@H]2COCCO2)[nH+]c1 ZINC001339773601 978910971 /nfs/dbraw/zinc/91/09/71/978910971.db2.gz KVBJKKKPKZXKKC-GFCCVEGCSA-N 1 2 236.315 1.496 20 0 BDADLO CCc1cc(NCCc2cc[nH]n2)nc(CC)[nH+]1 ZINC001339808458 978915983 /nfs/dbraw/zinc/91/59/83/978915983.db2.gz PPFUIGGPJRHEJO-UHFFFAOYSA-N 1 2 245.330 1.979 20 0 BDADLO [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235167361 978988017 /nfs/dbraw/zinc/98/80/17/978988017.db2.gz ZAOQNQLNUKEKGG-GXTWGEPZSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235167361 978988024 /nfs/dbraw/zinc/98/80/24/978988024.db2.gz ZAOQNQLNUKEKGG-GXTWGEPZSA-N 1 2 246.310 1.308 20 0 BDADLO Cc1cc(F)c(C[N@H+](C)C[C@H](O)CO)c(F)c1 ZINC001235190001 978993623 /nfs/dbraw/zinc/99/36/23/978993623.db2.gz NQGWBMZMXOFVEY-VIFPVBQESA-N 1 2 245.269 1.058 20 0 BDADLO Cc1cc(F)c(C[N@@H+](C)C[C@H](O)CO)c(F)c1 ZINC001235190001 978993630 /nfs/dbraw/zinc/99/36/30/978993630.db2.gz NQGWBMZMXOFVEY-VIFPVBQESA-N 1 2 245.269 1.058 20 0 BDADLO CCc1cccc(C[NH+]2CC(C(=O)OC)C2)n1 ZINC001235253729 979006415 /nfs/dbraw/zinc/00/64/15/979006415.db2.gz KFDNSXFKLGDLTR-UHFFFAOYSA-N 1 2 234.299 1.249 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235415776 979039756 /nfs/dbraw/zinc/03/97/56/979039756.db2.gz CNGVGTCJWJSTCP-QMMMGPOBSA-N 1 2 211.696 1.972 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235415776 979039763 /nfs/dbraw/zinc/03/97/63/979039763.db2.gz CNGVGTCJWJSTCP-QMMMGPOBSA-N 1 2 211.696 1.972 20 0 BDADLO Cc1cnc(F)c(C[NH+]2CC3(C2)CCOC3)c1 ZINC001235330937 979025877 /nfs/dbraw/zinc/02/58/77/979025877.db2.gz DUTFLFLWOCRLGK-UHFFFAOYSA-N 1 2 236.290 1.751 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[C@@H]1F ZINC001340475918 979026444 /nfs/dbraw/zinc/02/64/44/979026444.db2.gz CWBRCAKEHDVIDD-SFYZADRCSA-N 1 2 219.219 1.631 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](CO)[C@H]2C)c1C ZINC001181275849 979028923 /nfs/dbraw/zinc/02/89/23/979028923.db2.gz GLZOQZZLECADTN-GHMZBOCLSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001235333983 979029613 /nfs/dbraw/zinc/02/96/13/979029613.db2.gz BYCAQPTVLMTIHZ-PHIMTYICSA-N 1 2 248.301 1.940 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001235333983 979029618 /nfs/dbraw/zinc/02/96/18/979029618.db2.gz BYCAQPTVLMTIHZ-PHIMTYICSA-N 1 2 248.301 1.940 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2cc[nH+]c(N)c2)C2(CC2)C1 ZINC001181256364 979038776 /nfs/dbraw/zinc/03/87/76/979038776.db2.gz OSDHLQQICGNCLX-JTQLQIEISA-N 1 2 245.326 1.607 20 0 BDADLO Cc1[nH+]cn(C)c1CN1C[C@@H](F)[C@@H](F)C1 ZINC001235535978 979069710 /nfs/dbraw/zinc/06/97/10/979069710.db2.gz CYTXYLQEVFYZOT-DTORHVGOSA-N 1 2 215.247 1.220 20 0 BDADLO C[C@@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001181345038 979073530 /nfs/dbraw/zinc/07/35/30/979073530.db2.gz DKVFACPTLULMSP-SNVBAGLBSA-N 1 2 245.282 1.582 20 0 BDADLO Cc1ncn(C)c1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001235541795 979084514 /nfs/dbraw/zinc/08/45/14/979084514.db2.gz YAXDLBLRVWJFAR-UHFFFAOYSA-N 1 2 241.285 1.960 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235682949 979119706 /nfs/dbraw/zinc/11/97/06/979119706.db2.gz LLIUATLSQRKPBH-SECBINFHSA-N 1 2 235.262 1.269 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235682949 979119710 /nfs/dbraw/zinc/11/97/10/979119710.db2.gz LLIUATLSQRKPBH-SECBINFHSA-N 1 2 235.262 1.269 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001181494598 979120275 /nfs/dbraw/zinc/12/02/75/979120275.db2.gz KPIIBUCGGVJDFY-LLVKDONJSA-N 1 2 235.331 1.560 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@H](C)C(C)C)[nH+]1 ZINC001181500365 979122617 /nfs/dbraw/zinc/12/26/17/979122617.db2.gz CZJNSYWREIZTJG-SNVBAGLBSA-N 1 2 223.320 1.669 20 0 BDADLO [NH3+][C@H](CC(=O)NCCC[C@@H]1C=CCC1)C(F)F ZINC001340940522 979168124 /nfs/dbraw/zinc/16/81/24/979168124.db2.gz LDCIOJFCIYNYFY-NXEZZACHSA-N 1 2 246.301 1.832 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCO1 ZINC001181582762 979172211 /nfs/dbraw/zinc/17/22/11/979172211.db2.gz KZVKOWPNZCUXNI-VIFPVBQESA-N 1 2 217.228 1.062 20 0 BDADLO [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980694 979248130 /nfs/dbraw/zinc/24/81/30/979248130.db2.gz NEVQBVOSIVHWSO-TZMCWYRMSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980694 979248140 /nfs/dbraw/zinc/24/81/40/979248140.db2.gz NEVQBVOSIVHWSO-TZMCWYRMSA-N 1 2 246.310 1.308 20 0 BDADLO Cc1ccc(Nc2nccn3cnnc23)c(C)[nH+]1 ZINC001203367764 979255695 /nfs/dbraw/zinc/25/56/95/979255695.db2.gz OWZHWYKAWKGSFL-UHFFFAOYSA-N 1 2 240.270 1.880 20 0 BDADLO Cc1cncc(CNC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001341258093 979296897 /nfs/dbraw/zinc/29/68/97/979296897.db2.gz OIHNXKRHESOAFL-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc2nonc2c1 ZINC001236026758 979322211 /nfs/dbraw/zinc/32/22/11/979322211.db2.gz FXENPZUHWJWRJL-JKEDICHKSA-N 1 2 202.217 1.494 20 0 BDADLO Cc1ccc(Nc2cncc(C(N)=O)c2)c(C)[nH+]1 ZINC001203368115 979327509 /nfs/dbraw/zinc/32/75/09/979327509.db2.gz UZACFQSKDWVURA-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccn2C)C1 ZINC001203263419 979354577 /nfs/dbraw/zinc/35/45/77/979354577.db2.gz CDBMCTJTBFVOCC-UHFFFAOYSA-N 1 2 222.288 1.020 20 0 BDADLO OCCCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001236142211 979411038 /nfs/dbraw/zinc/41/10/38/979411038.db2.gz BOCZCLVXZVZVKO-CYBMUJFWSA-N 1 2 236.315 1.227 20 0 BDADLO OCCCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001236142211 979411043 /nfs/dbraw/zinc/41/10/43/979411043.db2.gz BOCZCLVXZVZVKO-CYBMUJFWSA-N 1 2 236.315 1.227 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(F)(F)F ZINC000689965215 979425824 /nfs/dbraw/zinc/42/58/24/979425824.db2.gz JYSFXXZUVYEVJU-SSDOTTSWSA-N 1 2 238.253 1.538 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccn2C)[nH]n1 ZINC001341570090 979473784 /nfs/dbraw/zinc/47/37/84/979473784.db2.gz VCBIWASTTIYMCP-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccn2C)[nH]n1 ZINC001341570090 979473787 /nfs/dbraw/zinc/47/37/87/979473787.db2.gz VCBIWASTTIYMCP-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)NC(=O)CO3)c[nH+]1 ZINC001236312601 979516680 /nfs/dbraw/zinc/51/66/80/979516680.db2.gz SMEHFADKRKHCIZ-UHFFFAOYSA-N 1 2 241.250 1.662 20 0 BDADLO Nc1ccc(-c2cc3c(c(F)c2)C(=O)NC3)c[nH+]1 ZINC001236313117 979520445 /nfs/dbraw/zinc/52/04/45/979520445.db2.gz GVXMCVLMMPYUIU-UHFFFAOYSA-N 1 2 243.241 1.713 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)C(=O)NC3)c[nH+]1 ZINC001236313434 979520647 /nfs/dbraw/zinc/52/06/47/979520647.db2.gz QKKNLFBOGLYKKB-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO C[C@H]1C[C@@H](c2nnc(C[NH+](C)C)o2)CO1 ZINC001341744462 979541553 /nfs/dbraw/zinc/54/15/53/979541553.db2.gz UFWBIYXIEVPWSE-JGVFFNPUSA-N 1 2 211.265 1.024 20 0 BDADLO CC(=O)N(C)CCC[N@H+](C)Cc1coc(C)n1 ZINC001273475406 979548115 /nfs/dbraw/zinc/54/81/15/979548115.db2.gz OVYHVPNSIZEDDO-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CC(=O)N(C)CCC[N@@H+](C)Cc1coc(C)n1 ZINC001273475406 979548120 /nfs/dbraw/zinc/54/81/20/979548120.db2.gz OVYHVPNSIZEDDO-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO O=C(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC001182669520 979588832 /nfs/dbraw/zinc/58/88/32/979588832.db2.gz XXODQJRROQUCKY-SNVBAGLBSA-N 1 2 247.298 1.095 20 0 BDADLO CC(C)SCC[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC001182675988 979594625 /nfs/dbraw/zinc/59/46/25/979594625.db2.gz ZYNARDAOYMFVDF-MRVPVSSYSA-N 1 2 244.364 1.313 20 0 BDADLO C[C@@H]([NH3+])CONC(=O)C1(c2ccccc2)CC1 ZINC001342061115 979641074 /nfs/dbraw/zinc/64/10/74/979641074.db2.gz UEUKNWKPQKQTIT-SNVBAGLBSA-N 1 2 234.299 1.113 20 0 BDADLO Cc1cncnc1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182829172 979654242 /nfs/dbraw/zinc/65/42/42/979654242.db2.gz VNNSMEJLLDYOJO-JTQLQIEISA-N 1 2 234.303 1.206 20 0 BDADLO Cc1cncnc1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182829172 979654251 /nfs/dbraw/zinc/65/42/51/979654251.db2.gz VNNSMEJLLDYOJO-JTQLQIEISA-N 1 2 234.303 1.206 20 0 BDADLO O=C(CC(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001182964937 979682439 /nfs/dbraw/zinc/68/24/39/979682439.db2.gz WKFWIBPGCGBXBX-MRVPVSSYSA-N 1 2 243.257 1.771 20 0 BDADLO O=C(CC(F)F)NCc1c[nH+]cn1C1CCC1 ZINC001182968186 979689124 /nfs/dbraw/zinc/68/91/24/979689124.db2.gz DNHGJYPXRRSWOQ-UHFFFAOYSA-N 1 2 243.257 1.880 20 0 BDADLO Oc1cc(C[NH+]2CC3(CC(O)C3)C2)ccc1F ZINC001236704304 979697736 /nfs/dbraw/zinc/69/77/36/979697736.db2.gz VDNDEALRCBMOHX-UHFFFAOYSA-N 1 2 237.274 1.488 20 0 BDADLO CSC[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001183217315 979774624 /nfs/dbraw/zinc/77/46/24/979774624.db2.gz QOUIRSBVDVLZOZ-VIFPVBQESA-N 1 2 241.360 1.078 20 0 BDADLO CC[N@H+](Cc1cc(O)cc(F)c1)C1CN(C)C1 ZINC001237283431 979860817 /nfs/dbraw/zinc/86/08/17/979860817.db2.gz KZSCONZZQANKHL-UHFFFAOYSA-N 1 2 238.306 1.667 20 0 BDADLO CC[N@@H+](Cc1cc(O)cc(F)c1)C1CN(C)C1 ZINC001237283431 979860820 /nfs/dbraw/zinc/86/08/20/979860820.db2.gz KZSCONZZQANKHL-UHFFFAOYSA-N 1 2 238.306 1.667 20 0 BDADLO CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001605448071 979876099 /nfs/dbraw/zinc/87/60/99/979876099.db2.gz QPQAXUGYQIRGGF-YUSALJHKSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001605448071 979876100 /nfs/dbraw/zinc/87/61/00/979876100.db2.gz QPQAXUGYQIRGGF-YUSALJHKSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001605448068 979876289 /nfs/dbraw/zinc/87/62/89/979876289.db2.gz QPQAXUGYQIRGGF-ADEWGFFLSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001605448068 979876292 /nfs/dbraw/zinc/87/62/92/979876292.db2.gz QPQAXUGYQIRGGF-ADEWGFFLSA-N 1 2 240.347 1.170 20 0 BDADLO Nc1ccc(CCC(=O)Nc2ccc[nH]2)c[nH+]1 ZINC001183931977 979903071 /nfs/dbraw/zinc/90/30/71/979903071.db2.gz PBPQZAILLYXARG-UHFFFAOYSA-N 1 2 230.271 1.563 20 0 BDADLO CC[C@H](C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935688 979903724 /nfs/dbraw/zinc/90/37/24/979903724.db2.gz KZUZTZPNDUSTRV-VIFPVBQESA-N 1 2 221.304 1.511 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@H](F)C(=O)C1 ZINC001237588750 979947538 /nfs/dbraw/zinc/94/75/38/979947538.db2.gz WDDIDEBTADHVTO-NSHDSACASA-N 1 2 239.294 1.406 20 0 BDADLO CN(C)c1cc(NCc2cccc(F)n2)[nH+]cn1 ZINC001342948148 979954881 /nfs/dbraw/zinc/95/48/81/979954881.db2.gz VGQPFEYHEQZKPS-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO CN(C)c1cc(NCc2cccc(F)n2)nc[nH+]1 ZINC001342948148 979954886 /nfs/dbraw/zinc/95/48/86/979954886.db2.gz VGQPFEYHEQZKPS-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1nnc[nH]1 ZINC001237609702 979974086 /nfs/dbraw/zinc/97/40/86/979974086.db2.gz ZLCZITGOSXUNAM-SECBINFHSA-N 1 2 224.308 1.194 20 0 BDADLO COC(C)(C)[C@H]1CCC[N@H+]1Cc1nnc[nH]1 ZINC001237609702 979974093 /nfs/dbraw/zinc/97/40/93/979974093.db2.gz ZLCZITGOSXUNAM-SECBINFHSA-N 1 2 224.308 1.194 20 0 BDADLO C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])cs1 ZINC001606295036 979991692 /nfs/dbraw/zinc/99/16/92/979991692.db2.gz MAVGSRATTMHEOE-JGVFFNPUSA-N 1 2 242.344 1.705 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237647243 980001249 /nfs/dbraw/zinc/00/12/49/980001249.db2.gz RUHHZDMPUYHVQR-RISCZKNCSA-N 1 2 249.358 1.973 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237647243 980001257 /nfs/dbraw/zinc/00/12/57/980001257.db2.gz RUHHZDMPUYHVQR-RISCZKNCSA-N 1 2 249.358 1.973 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001237652304 980017601 /nfs/dbraw/zinc/01/76/01/980017601.db2.gz RDVZDPYFOPWBDX-KOLCDFICSA-N 1 2 241.310 1.124 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001237652304 980017611 /nfs/dbraw/zinc/01/76/11/980017611.db2.gz RDVZDPYFOPWBDX-KOLCDFICSA-N 1 2 241.310 1.124 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCCC[C@H]1C(C)=O ZINC001237657613 980020304 /nfs/dbraw/zinc/02/03/04/980020304.db2.gz GVTRKTPJNMXNDA-ZDUSSCGKSA-N 1 2 235.331 1.916 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCCC[C@H]1C(C)=O ZINC001237657613 980020310 /nfs/dbraw/zinc/02/03/10/980020310.db2.gz GVTRKTPJNMXNDA-ZDUSSCGKSA-N 1 2 235.331 1.916 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H]3C[C@@H]32)nc[nH+]1 ZINC001343142216 980020614 /nfs/dbraw/zinc/02/06/14/980020614.db2.gz YKTBRSKQISOJCB-ZJUUUORDSA-N 1 2 218.304 1.531 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H]3C[C@@H]32)[nH+]cn1 ZINC001343142216 980020625 /nfs/dbraw/zinc/02/06/25/980020625.db2.gz YKTBRSKQISOJCB-ZJUUUORDSA-N 1 2 218.304 1.531 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCn2nccc2C1 ZINC001237655929 980020569 /nfs/dbraw/zinc/02/05/69/980020569.db2.gz QUPLJKNTXNFFPB-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCn2nccc2C1 ZINC001237655929 980020579 /nfs/dbraw/zinc/02/05/79/980020579.db2.gz QUPLJKNTXNFFPB-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCc2ncsc2C1 ZINC001237657650 980023989 /nfs/dbraw/zinc/02/39/89/980023989.db2.gz GZJRDHYVWXPSCD-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCc2ncsc2C1 ZINC001237657650 980024000 /nfs/dbraw/zinc/02/40/00/980024000.db2.gz GZJRDHYVWXPSCD-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO Cc1cc(N[C@@H]2CC[C@H]2O)nc(C2CCC2)[nH+]1 ZINC001343153824 980025515 /nfs/dbraw/zinc/02/55/15/980025515.db2.gz KOQKAGSHAVFXHR-GHMZBOCLSA-N 1 2 233.315 1.988 20 0 BDADLO CC(=O)[C@H](C)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184334012 980037833 /nfs/dbraw/zinc/03/78/33/980037833.db2.gz GFZOAKPCBXQPGF-SECBINFHSA-N 1 2 246.310 1.546 20 0 BDADLO COC1(C)C[NH+](Cc2cccc3c2OCC3)C1 ZINC001237743369 980040746 /nfs/dbraw/zinc/04/07/46/980040746.db2.gz NSBHQYUYHPHCMM-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)nc1 ZINC001237802178 980050083 /nfs/dbraw/zinc/05/00/83/980050083.db2.gz AMYPONDFZJTIBV-NEPJUHHUSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)nc1 ZINC001237802178 980050088 /nfs/dbraw/zinc/05/00/88/980050088.db2.gz AMYPONDFZJTIBV-NEPJUHHUSA-N 1 2 233.315 1.396 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238022587 980125415 /nfs/dbraw/zinc/12/54/15/980125415.db2.gz GAPOBWLLMGBLGY-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238022587 980125420 /nfs/dbraw/zinc/12/54/20/980125420.db2.gz GAPOBWLLMGBLGY-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO C[N@H+](Cc1c(N)ccnc1F)[C@H]1CCOC1 ZINC001238155074 980183642 /nfs/dbraw/zinc/18/36/42/980183642.db2.gz DOXGXMBRQIQMAR-QMMMGPOBSA-N 1 2 225.267 1.024 20 0 BDADLO C[N@@H+](Cc1c(N)ccnc1F)[C@H]1CCOC1 ZINC001238155074 980183650 /nfs/dbraw/zinc/18/36/50/980183650.db2.gz DOXGXMBRQIQMAR-QMMMGPOBSA-N 1 2 225.267 1.024 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2c(N)ccnc2F)C1 ZINC001238166920 980196653 /nfs/dbraw/zinc/19/66/53/980196653.db2.gz QRBZPTBSYCCIOO-QMMMGPOBSA-N 1 2 239.294 1.270 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cncnc1C ZINC001238175651 980206980 /nfs/dbraw/zinc/20/69/80/980206980.db2.gz OWSBFEVJHROXOV-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cncnc1C ZINC001238175651 980206986 /nfs/dbraw/zinc/20/69/86/980206986.db2.gz OWSBFEVJHROXOV-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCc2occc2C1 ZINC001238172132 980208518 /nfs/dbraw/zinc/20/85/18/980208518.db2.gz DHUOJAPBTHBDGV-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncncc1C[N@H+]1CCc2occc2C1 ZINC001238172132 980208524 /nfs/dbraw/zinc/20/85/24/980208524.db2.gz DHUOJAPBTHBDGV-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cncnc1C ZINC001238174938 980209071 /nfs/dbraw/zinc/20/90/71/980209071.db2.gz FEECTYXZQXHGPV-CYBMUJFWSA-N 1 2 233.315 1.729 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cncnc1C ZINC001238174938 980209082 /nfs/dbraw/zinc/20/90/82/980209082.db2.gz FEECTYXZQXHGPV-CYBMUJFWSA-N 1 2 233.315 1.729 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cncc(C2CC2)c1 ZINC001238181246 980213569 /nfs/dbraw/zinc/21/35/69/980213569.db2.gz GGAVBEOMHYFUID-UHFFFAOYSA-N 1 2 233.315 1.137 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cncc(C2CC2)c1 ZINC001238181246 980213572 /nfs/dbraw/zinc/21/35/72/980213572.db2.gz GGAVBEOMHYFUID-UHFFFAOYSA-N 1 2 233.315 1.137 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cncc(C2CC2)c1 ZINC001238184423 980215103 /nfs/dbraw/zinc/21/51/03/980215103.db2.gz KJYOCHQXXPKKOZ-UHFFFAOYSA-N 1 2 247.342 1.479 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cncc(C2CC2)c1 ZINC001238184423 980215110 /nfs/dbraw/zinc/21/51/10/980215110.db2.gz KJYOCHQXXPKKOZ-UHFFFAOYSA-N 1 2 247.342 1.479 20 0 BDADLO Cc1cnc(C[N@H+]2CCCN(C)C(=O)C2)c(C)c1 ZINC001238428981 980252339 /nfs/dbraw/zinc/25/23/39/980252339.db2.gz AITMMFGHOOQQCW-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCN(C)C(=O)C2)c(C)c1 ZINC001238428981 980252343 /nfs/dbraw/zinc/25/23/43/980252343.db2.gz AITMMFGHOOQQCW-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)Nc1cccnc1 ZINC001185721259 980274794 /nfs/dbraw/zinc/27/47/94/980274794.db2.gz MZLNTQMRLMNYNJ-UHFFFAOYSA-N 1 2 245.286 1.179 20 0 BDADLO CCOCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344109498 980348247 /nfs/dbraw/zinc/34/82/47/980348247.db2.gz KPTHZPTUBQXDDK-UHFFFAOYSA-N 1 2 240.303 1.588 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCCCc1c[nH+]cn1C ZINC001344916998 980500207 /nfs/dbraw/zinc/50/02/07/980500207.db2.gz MOYWJLHMIDWEPO-ONGXEEELSA-N 1 2 222.288 1.552 20 0 BDADLO CCc1nocc1C(=O)OCc1c[nH+]cn1CC ZINC001344970571 980510511 /nfs/dbraw/zinc/51/05/11/980510511.db2.gz BRCLCLVWVBVZFR-UHFFFAOYSA-N 1 2 249.270 1.810 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc(C(F)(F)F)c[nH]2)C1 ZINC001187704328 980540169 /nfs/dbraw/zinc/54/01/69/980540169.db2.gz ZBKNCJICOYAFQG-UHFFFAOYSA-N 1 2 247.220 1.077 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]1F ZINC001345608922 980645875 /nfs/dbraw/zinc/64/58/75/980645875.db2.gz BLUAZPSXQRNBKC-RKDXNWHRSA-N 1 2 212.224 1.304 20 0 BDADLO c1nn2ccccc2c1CC[NH+]1CCOCC1 ZINC001250277666 980650804 /nfs/dbraw/zinc/65/08/04/980650804.db2.gz LKLLOBQGAGQYJQ-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1C[C@@H]1F ZINC001345692974 980670784 /nfs/dbraw/zinc/67/07/84/980670784.db2.gz SQQOXFJEOMIFMB-BDAKNGLRSA-N 1 2 226.251 1.254 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2c(C)n[nH]c2C)[nH+]1 ZINC001188597600 980676923 /nfs/dbraw/zinc/67/69/23/980676923.db2.gz JGZXUPZIVWEQTH-UHFFFAOYSA-N 1 2 247.302 1.031 20 0 BDADLO COCCCc1ccc(N2CCOCC2)[nH+]c1 ZINC001250300734 980712896 /nfs/dbraw/zinc/71/28/96/980712896.db2.gz VRFGJZPTNRMOLJ-UHFFFAOYSA-N 1 2 236.315 1.497 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccno2)cn1 ZINC001346042157 980737319 /nfs/dbraw/zinc/73/73/19/980737319.db2.gz ANZHAHONQDNOQI-UHFFFAOYSA-N 1 2 204.233 1.063 20 0 BDADLO Cc1c(F)cccc1NC(=O)NC1C[NH+](C)C1 ZINC001189062928 980738088 /nfs/dbraw/zinc/73/80/88/980738088.db2.gz SNVZWFCFBZSLEE-UHFFFAOYSA-N 1 2 237.278 1.570 20 0 BDADLO CC(=O)N1CC=C(CCn2cc[nH+]c2)CC1 ZINC001250316759 980757188 /nfs/dbraw/zinc/75/71/88/980757188.db2.gz WMLMNWLWSBBZGQ-UHFFFAOYSA-N 1 2 219.288 1.452 20 0 BDADLO CCCn1nccc1CCn1cc[nH+]c1 ZINC001250318901 980757364 /nfs/dbraw/zinc/75/73/64/980757364.db2.gz LLEMYQAJXZATME-UHFFFAOYSA-N 1 2 204.277 1.732 20 0 BDADLO Cc1cnc(F)c(CCn2cc[nH+]c2)c1 ZINC001250319011 980757500 /nfs/dbraw/zinc/75/75/00/980757500.db2.gz PEHATRHIXRHWID-UHFFFAOYSA-N 1 2 205.236 1.968 20 0 BDADLO Nc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250318292 980759791 /nfs/dbraw/zinc/75/97/91/980759791.db2.gz AAIKZUMKNGNZNT-UHFFFAOYSA-N 1 2 205.236 1.847 20 0 BDADLO Cc1[nH+]cc(NC(=O)Nc2nccs2)n1C ZINC001189351526 980781920 /nfs/dbraw/zinc/78/19/20/980781920.db2.gz BALHMYDKCMIXGA-UHFFFAOYSA-N 1 2 237.288 1.829 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001346235527 980794835 /nfs/dbraw/zinc/79/48/35/980794835.db2.gz MUTCUIJZWLGXIS-GDNZZTSVSA-N 1 2 248.326 1.942 20 0 BDADLO Cc1nc(C(=O)Nc2ccn3cc[nH+]c3c2)n[nH]1 ZINC001189860142 980820339 /nfs/dbraw/zinc/82/03/39/980820339.db2.gz YNEZHTHMBMWWSL-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001347018631 980952810 /nfs/dbraw/zinc/95/28/10/980952810.db2.gz NCZRLIACFWYVLJ-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001347099017 980970080 /nfs/dbraw/zinc/97/00/80/980970080.db2.gz VGRIIRHPLSZNPD-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO CC1(C2CC2)CC[NH+](Cc2nnc[nH]2)CC1 ZINC001347120875 980972945 /nfs/dbraw/zinc/97/29/45/980972945.db2.gz RJCYKEVXZGKEFN-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO Cc1c[nH]c(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC001191088956 980981021 /nfs/dbraw/zinc/98/10/21/980981021.db2.gz WHGAAXGEWXGVCS-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CNc1cc(CNC(=O)N2C[C@@H]3C[C@@H]3C2)cc[nH+]1 ZINC001347186877 981006324 /nfs/dbraw/zinc/00/63/24/981006324.db2.gz PCXMFPKXLBUFDL-PHIMTYICSA-N 1 2 246.314 1.285 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001347231722 981016817 /nfs/dbraw/zinc/01/68/17/981016817.db2.gz UCNIAHISUXXVSG-NXEZZACHSA-N 1 2 240.278 1.992 20 0 BDADLO CN(C)c1cc(-c2cccc(C(N)=O)c2)cc[nH+]1 ZINC001239884130 981018461 /nfs/dbraw/zinc/01/84/61/981018461.db2.gz JQVLNUPCEDUZMQ-UHFFFAOYSA-N 1 2 241.294 1.914 20 0 BDADLO Cc1cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)n[nH]1 ZINC001347451459 981081482 /nfs/dbraw/zinc/08/14/82/981081482.db2.gz UCJMKVVVTAQLRF-RKDXNWHRSA-N 1 2 223.320 1.167 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001347488273 981096398 /nfs/dbraw/zinc/09/63/98/981096398.db2.gz NTDGUTONBZCCHT-GWCFXTLKSA-N 1 2 247.342 1.847 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NOC/C=C/Cl ZINC001347608754 981126783 /nfs/dbraw/zinc/12/67/83/981126783.db2.gz OEOIYWBAUDWKFO-GORDUTHDSA-N 1 2 243.694 1.153 20 0 BDADLO CC(=O)NCc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001240150249 981150075 /nfs/dbraw/zinc/15/00/75/981150075.db2.gz FZKAAMLXCYETEX-UHFFFAOYSA-N 1 2 241.294 1.967 20 0 BDADLO CC(C)(O)Cn1cc(-c2ccc[nH+]c2N)cn1 ZINC001240184851 981152186 /nfs/dbraw/zinc/15/21/86/981152186.db2.gz CIGUFISVTXIAGM-UHFFFAOYSA-N 1 2 232.287 1.298 20 0 BDADLO Nc1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240215304 981164428 /nfs/dbraw/zinc/16/44/28/981164428.db2.gz XGINVMHPKYXWSY-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Cn1cc(-c2ccc3[nH+]ccn3c2)cnc1=O ZINC001240219385 981169529 /nfs/dbraw/zinc/16/95/29/981169529.db2.gz JPMFTHPGHVJHTA-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001193015443 981225934 /nfs/dbraw/zinc/22/59/34/981225934.db2.gz BZUWFXNFXYBKRS-UHFFFAOYSA-N 1 2 231.299 1.003 20 0 BDADLO C[C@@H]([NH2+]CC1=NOCC1)c1nnc2ccccn21 ZINC001193142495 981258002 /nfs/dbraw/zinc/25/80/02/981258002.db2.gz UPZNBPBXISJUSZ-SECBINFHSA-N 1 2 245.286 1.156 20 0 BDADLO C[C@H]([NH2+]CC1=NOCC1)c1nnc2ccccn21 ZINC001193142496 981258664 /nfs/dbraw/zinc/25/86/64/981258664.db2.gz UPZNBPBXISJUSZ-VIFPVBQESA-N 1 2 245.286 1.156 20 0 BDADLO Cn1cnc2ccc(-c3c[nH+]cn3C)cc21 ZINC001240318798 981291200 /nfs/dbraw/zinc/29/12/00/981291200.db2.gz MMRNCEULGUZYCE-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO Cn1nc(C[N@H+](C)[C@H]2CCCOC2)cc1Cl ZINC001348169098 981301482 /nfs/dbraw/zinc/30/14/82/981301482.db2.gz RCWPVRQNWIEXIT-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO Cn1nc(C[N@@H+](C)[C@H]2CCCOC2)cc1Cl ZINC001348169098 981301485 /nfs/dbraw/zinc/30/14/85/981301485.db2.gz RCWPVRQNWIEXIT-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(-c2cccc3[nH+]ccn32)ccc1=O ZINC001240332761 981302238 /nfs/dbraw/zinc/30/22/38/981302238.db2.gz NUYXEKTWSPQXJF-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO CCc1ccc(N(CC)CCOCCO)[nH+]c1 ZINC001348159227 981302493 /nfs/dbraw/zinc/30/24/93/981302493.db2.gz OGSZPBHUSCLLQI-UHFFFAOYSA-N 1 2 238.331 1.479 20 0 BDADLO CCc1ccc(N2CC[C@H](NC(C)=O)C2)[nH+]c1 ZINC001348215448 981311110 /nfs/dbraw/zinc/31/11/10/981311110.db2.gz SOSINUCUNBTXEP-LBPRGKRZSA-N 1 2 233.315 1.359 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cc(Cl)ccn1 ZINC001348270640 981321413 /nfs/dbraw/zinc/32/14/13/981321413.db2.gz MBWKDIUXHWDLOK-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cc(Cl)ccn1 ZINC001348270640 981321418 /nfs/dbraw/zinc/32/14/18/981321418.db2.gz MBWKDIUXHWDLOK-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO CC[C@@H](F)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC001348329017 981338390 /nfs/dbraw/zinc/33/83/90/981338390.db2.gz WMRDBGRBYZSFNP-DTWKUNHWSA-N 1 2 221.247 1.322 20 0 BDADLO CC[C@@H](F)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC001348329017 981338397 /nfs/dbraw/zinc/33/83/97/981338397.db2.gz WMRDBGRBYZSFNP-DTWKUNHWSA-N 1 2 221.247 1.322 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)sn1 ZINC001348453268 981367021 /nfs/dbraw/zinc/36/70/21/981367021.db2.gz AJUOLPMNKPEFSJ-QMMMGPOBSA-N 1 2 236.300 1.848 20 0 BDADLO O=C1CC2(CC2)CN1C[NH+]1CCC(F)(F)CC1 ZINC001348471955 981368963 /nfs/dbraw/zinc/36/89/63/981368963.db2.gz WFDJIRCGFVGTQY-UHFFFAOYSA-N 1 2 244.285 1.688 20 0 BDADLO CNc1cc(N[C@@H](C)[C@@H]2CCOC2)[nH+]cn1 ZINC000158788315 981413313 /nfs/dbraw/zinc/41/33/13/981413313.db2.gz SKBSUSCZLNHEII-DTWKUNHWSA-N 1 2 222.292 1.355 20 0 BDADLO COCc1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240495934 981415427 /nfs/dbraw/zinc/41/54/27/981415427.db2.gz ATXXNENPLQIGCK-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO CN(C)c1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240497476 981419004 /nfs/dbraw/zinc/41/90/04/981419004.db2.gz ZMSSSACIIIDQCE-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001348788894 981443243 /nfs/dbraw/zinc/44/32/43/981443243.db2.gz JYGINVRNSXNCKI-OPRDCNLKSA-N 1 2 239.344 1.454 20 0 BDADLO CCCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001349269536 981523900 /nfs/dbraw/zinc/52/39/00/981523900.db2.gz ZFFKNPOQEHIJAG-UHFFFAOYSA-N 1 2 222.292 1.333 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC[C@H](F)C1)n1cc[nH+]c1 ZINC001349455186 981556467 /nfs/dbraw/zinc/55/64/67/981556467.db2.gz JOKYOKQKUPSJGV-VWYCJHECSA-N 1 2 239.294 1.841 20 0 BDADLO CCn1cc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001240653960 981564244 /nfs/dbraw/zinc/56/42/44/981564244.db2.gz SLWHMZVUGBSPGY-UHFFFAOYSA-N 1 2 214.272 1.933 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@H]1F ZINC001349633111 981601142 /nfs/dbraw/zinc/60/11/42/981601142.db2.gz POIVDPQFKMQRRY-BDAKNGLRSA-N 1 2 219.219 1.631 20 0 BDADLO O=C(Oc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC001194240642 981615580 /nfs/dbraw/zinc/61/55/80/981615580.db2.gz SZHSYFOQHCJSOQ-UHFFFAOYSA-N 1 2 243.266 1.898 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791276 981745430 /nfs/dbraw/zinc/74/54/30/981745430.db2.gz GIMHVMFOZMHPSU-NWDGAFQWSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)n[nH]1 ZINC000276445915 981816301 /nfs/dbraw/zinc/81/63/01/981816301.db2.gz MTSNESFBICLLTM-UHFFFAOYSA-N 1 2 219.248 1.013 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)n[nH]1 ZINC000276445915 981816304 /nfs/dbraw/zinc/81/63/04/981816304.db2.gz MTSNESFBICLLTM-UHFFFAOYSA-N 1 2 219.248 1.013 20 0 BDADLO c1cn2c(cccc2-c2cnn(C3COC3)c2)[nH+]1 ZINC001240784403 981826673 /nfs/dbraw/zinc/82/66/73/981826673.db2.gz JMZILGHTPYWCRL-UHFFFAOYSA-N 1 2 240.266 1.769 20 0 BDADLO CO[C@H]1CCC[C@@H](c2nnc(C[NH+](C)C)o2)C1 ZINC001349984601 981835138 /nfs/dbraw/zinc/83/51/38/981835138.db2.gz CQMRHHAJCKJBLM-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001588597649 981856511 /nfs/dbraw/zinc/85/65/11/981856511.db2.gz XPDPEAXJRGHEFX-UWVGGRQHSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001588597649 981856515 /nfs/dbraw/zinc/85/65/15/981856515.db2.gz XPDPEAXJRGHEFX-UWVGGRQHSA-N 1 2 237.303 1.073 20 0 BDADLO CC[C@@H](C)COC(=O)N1CCn2c[nH+]cc2C1 ZINC001194793610 981880242 /nfs/dbraw/zinc/88/02/42/981880242.db2.gz QMSLSSZXWJGFJC-SNVBAGLBSA-N 1 2 237.303 1.881 20 0 BDADLO Cc1nc(NC(=O)[C@H](C)n2cc[nH+]c2)oc1C ZINC001584988037 981898529 /nfs/dbraw/zinc/89/85/29/981898529.db2.gz DBFTWDCTPKHUTA-QMMMGPOBSA-N 1 2 234.259 1.688 20 0 BDADLO CCOCCC(=O)OCc1c[nH+]cn1CC ZINC001350335405 981930622 /nfs/dbraw/zinc/93/06/22/981930622.db2.gz UWMYZVCSRHUQJQ-UHFFFAOYSA-N 1 2 226.276 1.373 20 0 BDADLO O=C(/C=C\c1ccco1)N[C@@H]1CCn2c[nH+]cc21 ZINC001585868878 981950942 /nfs/dbraw/zinc/95/09/42/981950942.db2.gz USHSRAJLTYEHPS-DLRQAJBASA-N 1 2 243.266 1.751 20 0 BDADLO O=C(/C=C/c1ccco1)N[C@H]1CCn2c[nH+]cc21 ZINC001585868880 981954957 /nfs/dbraw/zinc/95/49/57/981954957.db2.gz USHSRAJLTYEHPS-UFFNRZRYSA-N 1 2 243.266 1.751 20 0 BDADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CCC1 ZINC001586636163 982005416 /nfs/dbraw/zinc/00/54/16/982005416.db2.gz BVUKYOSICKBAEJ-UHFFFAOYSA-N 1 2 221.304 1.662 20 0 BDADLO C/C=C(/CC)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001586737082 982015257 /nfs/dbraw/zinc/01/52/57/982015257.db2.gz CVJYWEPYHCECCQ-KMKOMSMNSA-N 1 2 245.326 1.905 20 0 BDADLO CC(C)c1cc(NC(=O)Cc2c[nH+]cn2C)no1 ZINC001587046807 982044912 /nfs/dbraw/zinc/04/49/12/982044912.db2.gz IJYVDCODDZMEGA-UHFFFAOYSA-N 1 2 248.286 1.713 20 0 BDADLO CC[C@H](C)OC(=O)NCc1c[nH+]cn1C ZINC001195079111 982060467 /nfs/dbraw/zinc/06/04/67/982060467.db2.gz NJUSWXMGBCPTBH-QMMMGPOBSA-N 1 2 211.265 1.445 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc(F)c1O ZINC001587389900 982068999 /nfs/dbraw/zinc/06/89/99/982068999.db2.gz TWZHZGBOLLLKED-UHFFFAOYSA-N 1 2 235.218 1.367 20 0 BDADLO CC[C@H](C)OC(=O)N1CCc2[nH+]ccn2CC1 ZINC001195108847 982090394 /nfs/dbraw/zinc/09/03/94/982090394.db2.gz NUGJVHDRVJNXDR-JTQLQIEISA-N 1 2 237.303 1.676 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C(F)(F)F)n1cc[nH+]c1 ZINC001351033593 982180375 /nfs/dbraw/zinc/18/03/75/982180375.db2.gz SFHSHPQPTVNMBD-SSDOTTSWSA-N 1 2 249.236 1.901 20 0 BDADLO CCNC(=S)NCc1c[nH+]c2c(C)cccn12 ZINC001195351313 982214175 /nfs/dbraw/zinc/21/41/75/982214175.db2.gz DMJZIORIYYLAJJ-UHFFFAOYSA-N 1 2 248.355 1.627 20 0 BDADLO O=[S@@](CC[N@H+]1CC=CCC1)C(F)(F)F ZINC001351182774 982228983 /nfs/dbraw/zinc/22/89/83/982228983.db2.gz CHRLNOFTRINFPS-AWEZNQCLSA-N 1 2 227.251 1.517 20 0 BDADLO O=[S@@](CC[N@@H+]1CC=CCC1)C(F)(F)F ZINC001351182774 982228990 /nfs/dbraw/zinc/22/89/90/982228990.db2.gz CHRLNOFTRINFPS-AWEZNQCLSA-N 1 2 227.251 1.517 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CCOCC2(CC2)C1 ZINC001351271510 982259618 /nfs/dbraw/zinc/25/96/18/982259618.db2.gz HAPTWYOHFPXCPM-LLVKDONJSA-N 1 2 233.315 1.650 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CCOCC2(CC2)C1 ZINC001351271510 982259626 /nfs/dbraw/zinc/25/96/26/982259626.db2.gz HAPTWYOHFPXCPM-LLVKDONJSA-N 1 2 233.315 1.650 20 0 BDADLO O=C(CC1CCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001351289587 982274260 /nfs/dbraw/zinc/27/42/60/982274260.db2.gz XICFOTABFHYJHG-SNVBAGLBSA-N 1 2 219.288 1.634 20 0 BDADLO Cc1cc[nH]c1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001195486078 982287177 /nfs/dbraw/zinc/28/71/77/982287177.db2.gz FXRSOVHRZFUEKW-UHFFFAOYSA-N 1 2 241.294 1.881 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCOc1cc[nH+]cc1 ZINC001195503753 982301598 /nfs/dbraw/zinc/30/15/98/982301598.db2.gz NHFJQZWVTOGNKA-UHFFFAOYSA-N 1 2 245.282 1.527 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC001351374881 982305334 /nfs/dbraw/zinc/30/53/34/982305334.db2.gz QZSQGNZULHXOTB-MRVPVSSYSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC001351374881 982305345 /nfs/dbraw/zinc/30/53/45/982305345.db2.gz QZSQGNZULHXOTB-MRVPVSSYSA-N 1 2 240.332 1.349 20 0 BDADLO CCNC(=O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241170340 982315815 /nfs/dbraw/zinc/31/58/15/982315815.db2.gz IQSUCXOOWGWHCB-UHFFFAOYSA-N 1 2 242.282 1.476 20 0 BDADLO Nc1cc(-c2c[nH]c3coc(=O)c-3c2)cc[nH+]1 ZINC001241176017 982327595 /nfs/dbraw/zinc/32/75/95/982327595.db2.gz QXTMWZBIEWAYHZ-UHFFFAOYSA-N 1 2 227.223 1.396 20 0 BDADLO Cc1cnc(NC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001351792099 982389601 /nfs/dbraw/zinc/38/96/01/982389601.db2.gz CBFBKGGWMKLICT-QMMMGPOBSA-N 1 2 220.232 1.379 20 0 BDADLO CCC[C@H](O)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001351799648 982390051 /nfs/dbraw/zinc/39/00/51/982390051.db2.gz CDJWDQFGBZAANK-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO CNc1cc(CNC(=O)N2CC=CC2)cc[nH+]1 ZINC001351800128 982393530 /nfs/dbraw/zinc/39/35/30/982393530.db2.gz UNOMDNSXYTUKCL-UHFFFAOYSA-N 1 2 232.287 1.205 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1cnccn1 ZINC001352230611 982496627 /nfs/dbraw/zinc/49/66/27/982496627.db2.gz PRBTVIXAXHHKOI-ZJUUUORDSA-N 1 2 245.286 1.112 20 0 BDADLO Cn1c[nH+]cc1-c1ccccc1[S@](C)=O ZINC001241339778 982504992 /nfs/dbraw/zinc/50/49/92/982504992.db2.gz XDFZZPSOTNABQK-HNNXBMFYSA-N 1 2 220.297 1.825 20 0 BDADLO C[NH+]1CC(NC(=S)Nc2ccc(F)cc2)C1 ZINC001196956227 982506611 /nfs/dbraw/zinc/50/66/11/982506611.db2.gz MISQPJVTWWZYLG-UHFFFAOYSA-N 1 2 239.319 1.426 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2ncccn2)O1 ZINC001197303694 982546850 /nfs/dbraw/zinc/54/68/50/982546850.db2.gz FHRBVFUEBAQDBK-GHMZBOCLSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ncccn2)O1 ZINC001197303694 982546862 /nfs/dbraw/zinc/54/68/62/982546862.db2.gz FHRBVFUEBAQDBK-GHMZBOCLSA-N 1 2 221.304 1.476 20 0 BDADLO CO[C@H]1CC[N@H+](CN2Cc3ccccc3C2=O)C1 ZINC001352759971 982568373 /nfs/dbraw/zinc/56/83/73/982568373.db2.gz IAUYJPAMWQSXCC-LBPRGKRZSA-N 1 2 246.310 1.321 20 0 BDADLO CO[C@H]1CC[N@@H+](CN2Cc3ccccc3C2=O)C1 ZINC001352759971 982568384 /nfs/dbraw/zinc/56/83/84/982568384.db2.gz IAUYJPAMWQSXCC-LBPRGKRZSA-N 1 2 246.310 1.321 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[O-] ZINC001589068152 982597836 /nfs/dbraw/zinc/59/78/36/982597836.db2.gz USCZEKZHYMTSMN-IJLUTSLNSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[O-] ZINC001589068152 982597845 /nfs/dbraw/zinc/59/78/45/982597845.db2.gz USCZEKZHYMTSMN-IJLUTSLNSA-N 1 2 240.347 1.314 20 0 BDADLO Cn1cc(C[NH2+]Cc2ncc[nH]2)c(C(F)F)n1 ZINC001352876099 982612449 /nfs/dbraw/zinc/61/24/49/982612449.db2.gz HMPBSQURZZPLAZ-UHFFFAOYSA-N 1 2 241.245 1.371 20 0 BDADLO CON(CCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC001197970807 982642411 /nfs/dbraw/zinc/64/24/11/982642411.db2.gz ZLACKECDOBRYEX-UHFFFAOYSA-N 1 2 235.287 1.848 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@@H](c3cnccn3)C2)n1 ZINC001198158195 982667055 /nfs/dbraw/zinc/66/70/55/982667055.db2.gz ZXFYVKLGTUFPES-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@@H](c3cnccn3)C2)n1 ZINC001198158195 982667073 /nfs/dbraw/zinc/66/70/73/982667073.db2.gz ZXFYVKLGTUFPES-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO Cc1cccc(C)c1NC(=S)NC1C[NH+](C)C1 ZINC001198373019 982700402 /nfs/dbraw/zinc/70/04/02/982700402.db2.gz MLTJQUWWAORNNG-UHFFFAOYSA-N 1 2 249.383 1.904 20 0 BDADLO C=CS(=O)(=O)Nc1cccc2[nH+]ccn21 ZINC001198556214 982773138 /nfs/dbraw/zinc/77/31/38/982773138.db2.gz NNVDEUNUNLSXST-UHFFFAOYSA-N 1 2 223.257 1.220 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1noc(C(F)F)n1)[C@H](C)O ZINC001353340036 982841487 /nfs/dbraw/zinc/84/14/87/982841487.db2.gz MMZWLHJIIUJWNN-SRQIZXRXSA-N 1 2 235.234 1.427 20 0 BDADLO CC[N@@H+]1CCC[C@H]([NH2+]CCCCC(=O)[O-])C1 ZINC001589744777 982879112 /nfs/dbraw/zinc/87/91/12/982879112.db2.gz DWTIBELQKUGXFP-NSHDSACASA-N 1 2 228.336 1.315 20 0 BDADLO CC[N@H+]1CCC[C@H]([NH2+]CCCCC(=O)[O-])C1 ZINC001589744777 982879113 /nfs/dbraw/zinc/87/91/13/982879113.db2.gz DWTIBELQKUGXFP-NSHDSACASA-N 1 2 228.336 1.315 20 0 BDADLO CC[C@H](F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001353552969 982887491 /nfs/dbraw/zinc/88/74/91/982887491.db2.gz CKQPSQSJXFZDPL-JTQLQIEISA-N 1 2 239.294 1.864 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(C)nc2)[nH]1 ZINC001353592863 982903529 /nfs/dbraw/zinc/90/35/29/982903529.db2.gz IMDMTYRIFCGZEW-ZETCQYMHSA-N 1 2 232.291 1.062 20 0 BDADLO CCn1nncc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC001331535377 982928364 /nfs/dbraw/zinc/92/83/64/982928364.db2.gz YLJUZNMPOKDCQU-ONGXEEELSA-N 1 2 246.318 1.290 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC(CF)CF ZINC001273790116 983034670 /nfs/dbraw/zinc/03/46/70/983034670.db2.gz XQCWDSOHVZRUNI-UHFFFAOYSA-N 1 2 231.246 1.087 20 0 BDADLO Cc1cc(-c2nn[nH]n2)ccc1Cn1cc[nH+]c1 ZINC001591868765 983100952 /nfs/dbraw/zinc/10/09/52/983100952.db2.gz NJUSLYNJYCXEOO-UHFFFAOYSA-N 1 2 240.270 1.420 20 0 BDADLO Cn1cc[nH+]c1CCNC(=S)NC(C)(C)C ZINC001200917729 983114993 /nfs/dbraw/zinc/11/49/93/983114993.db2.gz IHOSMHHSRGTRIR-UHFFFAOYSA-N 1 2 240.376 1.225 20 0 BDADLO CC[C@@H](NCc1c[nH+]cn1CC)c1noc(C)n1 ZINC001200951409 983125328 /nfs/dbraw/zinc/12/53/28/983125328.db2.gz LPQZOQYYMMFXTQ-LLVKDONJSA-N 1 2 249.318 1.835 20 0 BDADLO Cc1cn(-c2ccc(N)[nH+]c2)c2ncc(N)cc12 ZINC001201279911 983158727 /nfs/dbraw/zinc/15/87/27/983158727.db2.gz WCARMMCSJGATSV-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO NC(=O)c1cc(F)ccc1Nc1ccc(N)[nH+]c1 ZINC001201285610 983160127 /nfs/dbraw/zinc/16/01/27/983160127.db2.gz MJDNGFGEEWGRFN-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO NC(=O)c1ccc(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201285598 983161013 /nfs/dbraw/zinc/16/10/13/983161013.db2.gz LUPXJQPIHZFIGS-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO C[C@@H](c1nc(-c2cccc(=O)[nH]2)no1)[NH+](C)C ZINC001354138732 983170855 /nfs/dbraw/zinc/17/08/55/983170855.db2.gz SMZFKSHDYOCIBA-ZETCQYMHSA-N 1 2 234.259 1.460 20 0 BDADLO NC(=O)c1cc(Nc2ccc(N)[nH+]c2)ccc1F ZINC001201292628 983172191 /nfs/dbraw/zinc/17/21/91/983172191.db2.gz QNDNRQGZMJHFNQ-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO CN(C)c1nccnc1Nc1ccc(N)[nH+]c1 ZINC001201275915 983175201 /nfs/dbraw/zinc/17/52/01/983175201.db2.gz MZPGYXBFGBRRSV-UHFFFAOYSA-N 1 2 230.275 1.263 20 0 BDADLO Nc1ccc(Nc2ccnnc2Cl)c[nH+]1 ZINC001201276543 983176178 /nfs/dbraw/zinc/17/61/78/983176178.db2.gz VTMOMJBPNASSHE-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO Nc1ccc(Nc2nccn3ccnc23)c[nH+]1 ZINC001201278868 983179195 /nfs/dbraw/zinc/17/91/95/983179195.db2.gz OXCQVFVQQVQAEC-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO Cn1c(=O)ccc2cc(-c3[nH]cc[nH+]3)ccc21 ZINC001242018340 983220921 /nfs/dbraw/zinc/22/09/21/983220921.db2.gz JEUGHUHXUTWZMT-UHFFFAOYSA-N 1 2 225.251 1.929 20 0 BDADLO CNC(=S)NCc1c[nH+]c2c(C)cccn12 ZINC001200612048 983238908 /nfs/dbraw/zinc/23/89/08/983238908.db2.gz DFELUVASVDORGS-UHFFFAOYSA-N 1 2 234.328 1.237 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001354281449 983253007 /nfs/dbraw/zinc/25/30/07/983253007.db2.gz ICYNLXGBSDVNCA-ZCFIWIBFSA-N 1 2 245.735 1.230 20 0 BDADLO C[N@H+]1CC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001354281449 983253017 /nfs/dbraw/zinc/25/30/17/983253017.db2.gz ICYNLXGBSDVNCA-ZCFIWIBFSA-N 1 2 245.735 1.230 20 0 BDADLO c1cn(Cc2ccc(-c3ccnnc3)nc2)c[nH+]1 ZINC001242048190 983255513 /nfs/dbraw/zinc/25/55/13/983255513.db2.gz ZARXMLXNVQTIBL-UHFFFAOYSA-N 1 2 237.266 1.783 20 0 BDADLO CC[C@H](C)C[NH+]1CC(O)(C(F)(F)F)C1 ZINC001201499278 983266076 /nfs/dbraw/zinc/26/60/76/983266076.db2.gz IPLGBQXOEQJIAU-ZETCQYMHSA-N 1 2 211.227 1.642 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc2n[nH]nc21 ZINC001242068118 983296072 /nfs/dbraw/zinc/29/60/72/983296072.db2.gz LGIQGIYFWWGJDA-UHFFFAOYSA-N 1 2 226.243 1.306 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nc(C)ncc1F ZINC001242071102 983303817 /nfs/dbraw/zinc/30/38/17/983303817.db2.gz UCLZALAPTDAGEU-UHFFFAOYSA-N 1 2 218.235 1.877 20 0 BDADLO CCOc1cnc(-c2c[nH+]c(N)cc2C)nc1 ZINC001242070551 983303956 /nfs/dbraw/zinc/30/39/56/983303956.db2.gz BYACLILDYXCJKE-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cncc(N(C)C)n1 ZINC001242071143 983304595 /nfs/dbraw/zinc/30/45/95/983304595.db2.gz VNHWEVAKSIBBLO-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc2c1ncn2C ZINC001242071104 983305321 /nfs/dbraw/zinc/30/53/21/983305321.db2.gz UIFOSUZBCLWELZ-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2c(n1)CCCN2 ZINC001242073084 983311602 /nfs/dbraw/zinc/31/16/02/983311602.db2.gz WRUULHVZGYRLIX-UHFFFAOYSA-N 1 2 241.298 1.787 20 0 BDADLO CC(C)NC(=S)NCc1ccc2[nH+]ccn2c1 ZINC001200795689 983372973 /nfs/dbraw/zinc/37/29/73/983372973.db2.gz QOCOQYRFCWTGSD-UHFFFAOYSA-N 1 2 248.355 1.707 20 0 BDADLO CC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC001201610115 983375544 /nfs/dbraw/zinc/37/55/44/983375544.db2.gz QBZPNWSNYZUOGL-CQSZACIVSA-N 1 2 233.311 1.519 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC001201610115 983375554 /nfs/dbraw/zinc/37/55/54/983375554.db2.gz QBZPNWSNYZUOGL-CQSZACIVSA-N 1 2 233.311 1.519 20 0 BDADLO CSCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201680059 983392127 /nfs/dbraw/zinc/39/21/27/983392127.db2.gz PTCIYNNIZSMEBJ-VIFPVBQESA-N 1 2 219.325 1.743 20 0 BDADLO CSCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201680059 983392132 /nfs/dbraw/zinc/39/21/32/983392132.db2.gz PTCIYNNIZSMEBJ-VIFPVBQESA-N 1 2 219.325 1.743 20 0 BDADLO CCCn1c[nH+]cc1CNc1cnn(C)c1C ZINC001201694319 983440395 /nfs/dbraw/zinc/44/03/95/983440395.db2.gz UGUWJTMZXKKRGR-UHFFFAOYSA-N 1 2 233.319 1.947 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC001203980254 983527920 /nfs/dbraw/zinc/52/79/20/983527920.db2.gz NYOMGCXHAGVPPX-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC001203980254 983527932 /nfs/dbraw/zinc/52/79/32/983527932.db2.gz NYOMGCXHAGVPPX-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO COc1cc(-c2ccc[nH+]c2N)c(OC)cn1 ZINC001242427816 983728910 /nfs/dbraw/zinc/72/89/10/983728910.db2.gz NFOTZDDHUYEMJX-UHFFFAOYSA-N 1 2 231.255 1.743 20 0 BDADLO CC(C)(O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252356923 983745393 /nfs/dbraw/zinc/74/53/93/983745393.db2.gz SXXSGUMEZUOSRB-FXQIFTODSA-N 1 2 239.237 1.161 20 0 BDADLO CC(C)(O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252356923 983745401 /nfs/dbraw/zinc/74/54/01/983745401.db2.gz SXXSGUMEZUOSRB-FXQIFTODSA-N 1 2 239.237 1.161 20 0 BDADLO COCCCn1cc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001242489238 983815221 /nfs/dbraw/zinc/81/52/21/983815221.db2.gz RCRLEVCFAVETTF-UHFFFAOYSA-N 1 2 246.314 1.872 20 0 BDADLO CC(C)NC(=O)Nc1cccc2[nH+]ccn21 ZINC001202516776 983848233 /nfs/dbraw/zinc/84/82/33/983848233.db2.gz DEAUGEKQXUJJHK-UHFFFAOYSA-N 1 2 218.260 1.864 20 0 BDADLO COC(=O)[C@]1([NH2+][C@@H]2CC[C@@H](C)C2)CCOC1 ZINC000339060794 983851492 /nfs/dbraw/zinc/85/14/92/983851492.db2.gz RMGDHFXNWUYGBX-FOGDFJRCSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1cccn2c(CNC(=O)NC(C)C)c[nH+]c12 ZINC001202531133 983876200 /nfs/dbraw/zinc/87/62/00/983876200.db2.gz LELZNNSYGRWFJD-UHFFFAOYSA-N 1 2 246.314 1.850 20 0 BDADLO CC(C)n1nccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC001474155316 983898598 /nfs/dbraw/zinc/89/85/98/983898598.db2.gz FSOWCFDGXZHGCW-GFCCVEGCSA-N 1 2 245.330 1.895 20 0 BDADLO CC(C)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000200426663 983957902 /nfs/dbraw/zinc/95/79/02/983957902.db2.gz WSQNUADZKBYPIE-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Nc1[nH+]cccc1-c1cnc(N2CCC2)nc1 ZINC001242700487 984053263 /nfs/dbraw/zinc/05/32/63/984053263.db2.gz BTBFXJLFPVLNJT-UHFFFAOYSA-N 1 2 227.271 1.331 20 0 BDADLO CCNC(=O)NCc1c[nH+]cn1C(C)C ZINC001202556428 984053587 /nfs/dbraw/zinc/05/35/87/984053587.db2.gz GLNYKCAJOXYSTC-UHFFFAOYSA-N 1 2 210.281 1.283 20 0 BDADLO CCCNC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001202602932 984111437 /nfs/dbraw/zinc/11/14/37/984111437.db2.gz CYPIBCOVDWCYAY-UHFFFAOYSA-N 1 2 232.287 1.544 20 0 BDADLO CCCNC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001202596988 984121350 /nfs/dbraw/zinc/12/13/50/984121350.db2.gz DADHAFJEUUDXTM-UHFFFAOYSA-N 1 2 246.314 1.852 20 0 BDADLO CC(C)(C)OC[C@@H](O)C[NH+]1CC2(C1)CCCO2 ZINC001253449217 984174017 /nfs/dbraw/zinc/17/40/17/984174017.db2.gz ROQIFEAVJSBPGU-NSHDSACASA-N 1 2 243.347 1.027 20 0 BDADLO CCC[NH2+][C@H](C)C(=O)Oc1ccccc1OC ZINC001577557148 984200210 /nfs/dbraw/zinc/20/02/10/984200210.db2.gz ZCHDRJCOTQVUSZ-SNVBAGLBSA-N 1 2 237.299 1.989 20 0 BDADLO Clc1ccncc1C[N@@H+]1CCn2cncc2C1 ZINC001137237555 984201568 /nfs/dbraw/zinc/20/15/68/984201568.db2.gz DBQNDRKAXJCAPG-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ccncc1C[N@H+]1CCn2cncc2C1 ZINC001137237555 984201576 /nfs/dbraw/zinc/20/15/76/984201576.db2.gz DBQNDRKAXJCAPG-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc[nH]1 ZINC001204013432 984210246 /nfs/dbraw/zinc/21/02/46/984210246.db2.gz RKNNJDBRLXKKST-USWWRNFRSA-N 1 2 234.299 1.541 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc[nH]1 ZINC001204013432 984210250 /nfs/dbraw/zinc/21/02/50/984210250.db2.gz RKNNJDBRLXKKST-USWWRNFRSA-N 1 2 234.299 1.541 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@H+]3C)C2)c(F)cn1 ZINC001274079181 984254354 /nfs/dbraw/zinc/25/43/54/984254354.db2.gz SLDOSYNVOMSJPR-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@@H+]3C)C2)c(F)cn1 ZINC001274079181 984254360 /nfs/dbraw/zinc/25/43/60/984254360.db2.gz SLDOSYNVOMSJPR-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Nc1[nH+]cccc1-c1cnn2ccccc12 ZINC001242961027 984323835 /nfs/dbraw/zinc/32/38/35/984323835.db2.gz FBFFGHYZUHBGCO-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO CONC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001441022906 984453019 /nfs/dbraw/zinc/45/30/19/984453019.db2.gz IGPKAJNIWFWFMI-UHFFFAOYSA-N 1 2 231.255 1.092 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CC(=O)NC2 ZINC001243069874 984494779 /nfs/dbraw/zinc/49/47/79/984494779.db2.gz MZGUAQDFDLUGEK-UHFFFAOYSA-N 1 2 227.267 1.259 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(C(N)=S)cc1 ZINC001243070278 984496048 /nfs/dbraw/zinc/49/60/48/984496048.db2.gz PWICZWCGGXMGTN-UHFFFAOYSA-N 1 2 217.297 1.721 20 0 BDADLO Cc1cccc(N(C)C(=O)Cc2c[nH]c[nH+]2)c1 ZINC001443158153 984511063 /nfs/dbraw/zinc/51/10/63/984511063.db2.gz JKUMWTHIJHQFHN-UHFFFAOYSA-N 1 2 229.283 1.924 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NCc1scnc1C ZINC001443703199 984537076 /nfs/dbraw/zinc/53/70/76/984537076.db2.gz YDHOVZGOWJHOBC-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NCc1scnc1C ZINC001443703199 984537091 /nfs/dbraw/zinc/53/70/91/984537091.db2.gz YDHOVZGOWJHOBC-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@@H](O)c1ccccc1 ZINC000718905571 984562297 /nfs/dbraw/zinc/56/22/97/984562297.db2.gz PVTJKESENWDZEY-CYBMUJFWSA-N 1 2 243.310 1.642 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@@H](O)c1ccccc1 ZINC000718905571 984562324 /nfs/dbraw/zinc/56/23/24/984562324.db2.gz PVTJKESENWDZEY-CYBMUJFWSA-N 1 2 243.310 1.642 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C/c2ccco2)[nH+]c1C ZINC001445473616 984600976 /nfs/dbraw/zinc/60/09/76/984600976.db2.gz DRLHRXIBUMIASN-AATRIKPKSA-N 1 2 245.282 1.949 20 0 BDADLO COCCC(C)(C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001447530056 984768150 /nfs/dbraw/zinc/76/81/50/984768150.db2.gz INKHRAYLWFGMJD-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cncc(F)c1 ZINC001448615921 984817505 /nfs/dbraw/zinc/81/75/05/984817505.db2.gz XHBWDKQURZCCBD-SNVBAGLBSA-N 1 2 223.251 1.253 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cncc(F)c1 ZINC001448615921 984817514 /nfs/dbraw/zinc/81/75/14/984817514.db2.gz XHBWDKQURZCCBD-SNVBAGLBSA-N 1 2 223.251 1.253 20 0 BDADLO O=C(NCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001448681478 984817540 /nfs/dbraw/zinc/81/75/40/984817540.db2.gz DEPFRVUKTVBIGS-UHFFFAOYSA-N 1 2 207.208 1.262 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(C2CC2)n1 ZINC001450063486 984858599 /nfs/dbraw/zinc/85/85/99/984858599.db2.gz DYRCQQNAIISFHZ-GFCCVEGCSA-N 1 2 245.326 1.992 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(C2CC2)n1 ZINC001450063486 984858600 /nfs/dbraw/zinc/85/86/00/984858600.db2.gz DYRCQQNAIISFHZ-GFCCVEGCSA-N 1 2 245.326 1.992 20 0 BDADLO CCC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001450157460 984862010 /nfs/dbraw/zinc/86/20/10/984862010.db2.gz VHCCDXUJWKWVKR-LLVKDONJSA-N 1 2 239.319 1.274 20 0 BDADLO CCC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001450157460 984862012 /nfs/dbraw/zinc/86/20/12/984862012.db2.gz VHCCDXUJWKWVKR-LLVKDONJSA-N 1 2 239.319 1.274 20 0 BDADLO CCC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257317947 984893338 /nfs/dbraw/zinc/89/33/38/984893338.db2.gz WKZIBVYYNKGWGH-GUBZILKMSA-N 1 2 217.284 1.760 20 0 BDADLO CCC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257317947 984893340 /nfs/dbraw/zinc/89/33/40/984893340.db2.gz WKZIBVYYNKGWGH-GUBZILKMSA-N 1 2 217.284 1.760 20 0 BDADLO C[C@H](C(=O)Nc1c(O)cccc1F)n1cc[nH+]c1 ZINC001453016921 984978385 /nfs/dbraw/zinc/97/83/85/984978385.db2.gz PFEAXUXSOIRENY-MRVPVSSYSA-N 1 2 249.245 1.928 20 0 BDADLO Cc1c(C(N)=O)cncc1-c1ccc[nH+]c1N ZINC001243475887 985028189 /nfs/dbraw/zinc/02/81/89/985028189.db2.gz MEKYYMBOIUUADA-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2ocnc2c1 ZINC001243474765 985029445 /nfs/dbraw/zinc/02/94/45/985029445.db2.gz RCWGUOZFGRHYHH-UHFFFAOYSA-N 1 2 212.212 1.867 20 0 BDADLO Cn1cnc2cc(-c3ccc[nH+]c3N)cnc21 ZINC001243475447 985029476 /nfs/dbraw/zinc/02/94/76/985029476.db2.gz ZLJUMOAGFZMBJO-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO COC(=O)c1ccncc1-c1ccc[nH+]c1N ZINC001243475365 985030112 /nfs/dbraw/zinc/03/01/12/985030112.db2.gz XHAWKLVCWYIPPU-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO CC(=O)Nc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243475888 985033234 /nfs/dbraw/zinc/03/32/34/985033234.db2.gz MEPNHJLBBIGNLF-UHFFFAOYSA-N 1 2 228.255 1.684 20 0 BDADLO CC[C@H](C)[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001257444468 985033990 /nfs/dbraw/zinc/03/39/90/985033990.db2.gz VSQADLSRYNZMOY-UWVGGRQHSA-N 1 2 249.351 1.244 20 0 BDADLO CN(C)C(=O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001243476477 985036638 /nfs/dbraw/zinc/03/66/38/985036638.db2.gz SNCIJYBYRQRQSO-UHFFFAOYSA-N 1 2 242.282 1.428 20 0 BDADLO C[C@@H](C(=O)Nc1cccc(F)c1O)n1cc[nH+]c1 ZINC001454760598 985046988 /nfs/dbraw/zinc/04/69/88/985046988.db2.gz YRUKNDZXLMRQMF-QMMMGPOBSA-N 1 2 249.245 1.928 20 0 BDADLO C[C@@H](O)c1ccc(NCCc2cn(C)c[nH+]2)nc1 ZINC000686075810 985052696 /nfs/dbraw/zinc/05/26/96/985052696.db2.gz FZHYDTYOHQFVLH-SNVBAGLBSA-N 1 2 246.314 1.523 20 0 BDADLO CCC[C@H](C)CC[C@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257464984 985077971 /nfs/dbraw/zinc/07/79/71/985077971.db2.gz XTPMJEFASAJEIS-SDDRHHMPSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1[nH]c([C@H]2CCCN2C(=O)[C@@H](C)O)[nH+]c1C ZINC001455769453 985091555 /nfs/dbraw/zinc/09/15/55/985091555.db2.gz KMBNKSHWGWAXOM-NXEZZACHSA-N 1 2 237.303 1.071 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000686470222 985120765 /nfs/dbraw/zinc/12/07/65/985120765.db2.gz JIKIDUOSHUYGGE-IWSPIJDZSA-N 1 2 225.292 1.460 20 0 BDADLO c1cn(Cc2ccc(-c3cnnnc3)cc2)c[nH+]1 ZINC001243657424 985154343 /nfs/dbraw/zinc/15/43/43/985154343.db2.gz LNUUIMFJASTKQE-UHFFFAOYSA-N 1 2 237.266 1.783 20 0 BDADLO O=C1CCC[N@H+]([C@H]2CCCSC2)C[C@@H]1F ZINC001257673589 985247434 /nfs/dbraw/zinc/24/74/34/985247434.db2.gz ZLETVKOAMNMXRX-UWVGGRQHSA-N 1 2 231.336 1.885 20 0 BDADLO O=C1CCC[N@@H+]([C@H]2CCCSC2)C[C@@H]1F ZINC001257673589 985247451 /nfs/dbraw/zinc/24/74/51/985247451.db2.gz ZLETVKOAMNMXRX-UWVGGRQHSA-N 1 2 231.336 1.885 20 0 BDADLO CO[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001458327668 985292134 /nfs/dbraw/zinc/29/21/34/985292134.db2.gz BPXPHNDOVXQBFK-LLVKDONJSA-N 1 2 237.303 1.211 20 0 BDADLO Cc1cccc(C)c1CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000687598013 985333250 /nfs/dbraw/zinc/33/32/50/985333250.db2.gz VVUBHVZTXGXBNF-AWEZNQCLSA-N 1 2 248.370 1.412 20 0 BDADLO Cc1cccc(C)c1CN1CC[N@H+](C)[C@H](CO)C1 ZINC000687598013 985333265 /nfs/dbraw/zinc/33/32/65/985333265.db2.gz VVUBHVZTXGXBNF-AWEZNQCLSA-N 1 2 248.370 1.412 20 0 BDADLO CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000077447315 985467613 /nfs/dbraw/zinc/46/76/13/985467613.db2.gz WZSQTNLOBVLMKY-UHFFFAOYSA-N 1 2 238.291 1.871 20 0 BDADLO [NH3+]Cc1ncc(-c2cccc3nc[nH]c32)cn1 ZINC001243934656 985615244 /nfs/dbraw/zinc/61/52/44/985615244.db2.gz YDCYIPRCRSLRAK-UHFFFAOYSA-N 1 2 225.255 1.479 20 0 BDADLO O=C1NCCc2nc(C3=C[NH2+]CCC3)ccc21 ZINC001243947425 985620011 /nfs/dbraw/zinc/62/00/11/985620011.db2.gz JOHKIUPVVRHOCK-UHFFFAOYSA-N 1 2 229.283 1.092 20 0 BDADLO c1snnc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000688333925 985620915 /nfs/dbraw/zinc/62/09/15/985620915.db2.gz GDNLWCIAYZPKLL-MRVPVSSYSA-N 1 2 225.317 1.339 20 0 BDADLO c1cnc2cc(C3=C[NH2+]CCC3)ncc2n1 ZINC001243948279 985631456 /nfs/dbraw/zinc/63/14/56/985631456.db2.gz XYLBGESLMBDEAX-UHFFFAOYSA-N 1 2 212.256 1.749 20 0 BDADLO CCOc1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243949063 985633591 /nfs/dbraw/zinc/63/35/91/985633591.db2.gz PITGCCUBCUHKJP-UHFFFAOYSA-N 1 2 205.261 1.600 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCC(=O)N2C ZINC001244013934 985737349 /nfs/dbraw/zinc/73/73/49/985737349.db2.gz PNQHKLQLFWUPPN-UHFFFAOYSA-N 1 2 241.294 1.996 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@H]1CC2(CCC2)CO1 ZINC001460690462 985876942 /nfs/dbraw/zinc/87/69/42/985876942.db2.gz YYOHOJVHFCADEF-GFCCVEGCSA-N 1 2 247.342 1.868 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@H]1CC2(CCC2)CO1 ZINC001460690462 985876946 /nfs/dbraw/zinc/87/69/46/985876946.db2.gz YYOHOJVHFCADEF-GFCCVEGCSA-N 1 2 247.342 1.868 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@@H+](CCCCO)C1 ZINC001460777035 985896603 /nfs/dbraw/zinc/89/66/03/985896603.db2.gz AKSGAXAVLBUVMM-SNVBAGLBSA-N 1 2 223.320 1.176 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@H+](CCCCO)C1 ZINC001460777035 985896609 /nfs/dbraw/zinc/89/66/09/985896609.db2.gz AKSGAXAVLBUVMM-SNVBAGLBSA-N 1 2 223.320 1.176 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001138857100 985943525 /nfs/dbraw/zinc/94/35/25/985943525.db2.gz JOFUTBVDYZFURF-KOLCDFICSA-N 1 2 249.314 1.571 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001138857100 985943550 /nfs/dbraw/zinc/94/35/50/985943550.db2.gz JOFUTBVDYZFURF-KOLCDFICSA-N 1 2 249.314 1.571 20 0 BDADLO Cn1c[nH+]cc1-c1cc(F)c(CO)c(F)c1 ZINC001244339975 985985213 /nfs/dbraw/zinc/98/52/13/985985213.db2.gz GHDWJRLVDMCGNV-UHFFFAOYSA-N 1 2 224.210 1.858 20 0 BDADLO CCCn1c[nH+]cc1CNc1ccc(CO)cn1 ZINC001461550379 986077275 /nfs/dbraw/zinc/07/72/75/986077275.db2.gz GHSIRUMUJVQERT-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO CCCC[C@@H](CCC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258757685 986121536 /nfs/dbraw/zinc/12/15/36/986121536.db2.gz RORBASCFBBNTCN-IJLUTSLNSA-N 1 2 245.363 1.857 20 0 BDADLO CNc1ccc(C)cc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC001461888726 986213066 /nfs/dbraw/zinc/21/30/66/986213066.db2.gz NNNUKBZZSQEHQQ-LLVKDONJSA-N 1 2 247.342 1.357 20 0 BDADLO CNc1ccc(C)cc1C[N@H+]1CCNC(=O)[C@H]1C ZINC001461888726 986213080 /nfs/dbraw/zinc/21/30/80/986213080.db2.gz NNNUKBZZSQEHQQ-LLVKDONJSA-N 1 2 247.342 1.357 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(F)s1 ZINC001462289139 986337663 /nfs/dbraw/zinc/33/76/63/986337663.db2.gz CYLFEUBJJSYYJI-UHFFFAOYSA-N 1 2 239.275 1.551 20 0 BDADLO CC(C)[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001253756915 986381476 /nfs/dbraw/zinc/38/14/76/986381476.db2.gz LGVQTZFDUINYGF-ONGXEEELSA-N 1 2 224.304 1.564 20 0 BDADLO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cnn[nH]1 ZINC000398366382 986478074 /nfs/dbraw/zinc/47/80/74/986478074.db2.gz PFKIHEHHTWLDDY-LBPRGKRZSA-N 1 2 232.262 1.721 20 0 BDADLO CNc1cc(-c2c[nH]c3cc(=O)[nH]c-3c2)cc[nH+]1 ZINC001244974379 986553745 /nfs/dbraw/zinc/55/37/45/986553745.db2.gz XQHLQODIKFGGHB-UHFFFAOYSA-N 1 2 240.266 1.680 20 0 BDADLO CNc1cc(-c2ccnc(C(=O)OC)c2)cc[nH+]1 ZINC001244976136 986563045 /nfs/dbraw/zinc/56/30/45/986563045.db2.gz QFMADXKAIRKWDO-UHFFFAOYSA-N 1 2 243.266 1.972 20 0 BDADLO CNc1cc(-c2c[nH]c3coc(=O)c-3c2)cc[nH+]1 ZINC001244978704 986567968 /nfs/dbraw/zinc/56/79/68/986567968.db2.gz ZWJFYYSPTCYZFK-UHFFFAOYSA-N 1 2 241.250 1.856 20 0 BDADLO [NH3+]C1(CNC(=O)c2cccc(Cl)c2O)CC1 ZINC001580151066 986624298 /nfs/dbraw/zinc/62/42/98/986624298.db2.gz MSKZTYHBYCHQBL-UHFFFAOYSA-N 1 2 240.690 1.267 20 0 BDADLO O=C(CCF)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001464509142 986639195 /nfs/dbraw/zinc/63/91/95/986639195.db2.gz XLIOMGAWILKQKZ-UHFFFAOYSA-N 1 2 247.273 1.848 20 0 BDADLO Cc1cc(NC(=O)c2csc(CO)n2)cc[nH+]1 ZINC001465144582 986688310 /nfs/dbraw/zinc/68/83/10/986688310.db2.gz BCXLCZNXGIAXFX-UHFFFAOYSA-N 1 2 249.295 1.013 20 0 BDADLO CCOC1CN(Cc2[nH+]c3ccccn3c2C)C1 ZINC001137267463 986702256 /nfs/dbraw/zinc/70/22/56/986702256.db2.gz AYPLPXLXAXSPPC-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC001465604191 986729192 /nfs/dbraw/zinc/72/91/92/986729192.db2.gz FHIVFSJAYUMEHR-WCBMZHEXSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1ccc2[nH+]cc(CN(C)C3COC3)n2c1 ZINC001137308834 986742593 /nfs/dbraw/zinc/74/25/93/986742593.db2.gz IIURKBRJVVMUJK-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO Cc1cc(C)c(C[N@@H+](C)CC(=O)N(C)C)[nH]1 ZINC001137327908 986779197 /nfs/dbraw/zinc/77/91/97/986779197.db2.gz KXNSAIPWPNROOP-UHFFFAOYSA-N 1 2 223.320 1.152 20 0 BDADLO Cc1cc(C)c(C[N@H+](C)CC(=O)N(C)C)[nH]1 ZINC001137327908 986779217 /nfs/dbraw/zinc/77/92/17/986779217.db2.gz KXNSAIPWPNROOP-UHFFFAOYSA-N 1 2 223.320 1.152 20 0 BDADLO Cc1cc(C)c(C[N@H+](C2CC2)C2COC2)[nH]1 ZINC001137329937 986794235 /nfs/dbraw/zinc/79/42/35/986794235.db2.gz VXXAAQMAAIZPMK-UHFFFAOYSA-N 1 2 220.316 1.995 20 0 BDADLO Cc1cc(C)c(C[N@@H+](C2CC2)C2COC2)[nH]1 ZINC001137329937 986794247 /nfs/dbraw/zinc/79/42/47/986794247.db2.gz VXXAAQMAAIZPMK-UHFFFAOYSA-N 1 2 220.316 1.995 20 0 BDADLO C=C/C=C\CC(=O)NCCc1c[nH+]cn1C ZINC001466827631 986827706 /nfs/dbraw/zinc/82/77/06/986827706.db2.gz PZAVFRGZQAIRPV-PLNGDYQASA-N 1 2 219.288 1.211 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccnc(C)c2)C[C@@H]1F ZINC001137408419 986884184 /nfs/dbraw/zinc/88/41/84/986884184.db2.gz GJIBPRYNSCIAST-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccnc(C)c2)C[C@@H]1F ZINC001137408419 986884185 /nfs/dbraw/zinc/88/41/85/986884185.db2.gz GJIBPRYNSCIAST-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO Nc1ncc(-c2ccc[nH+]c2N)cc1F ZINC001245521072 986899468 /nfs/dbraw/zinc/89/94/68/986899468.db2.gz LVBDIQQRJBMZDE-UHFFFAOYSA-N 1 2 204.208 1.447 20 0 BDADLO Nc1ncc(-c2c[nH+]c3c(c2)CCCN3)cc1F ZINC001245522469 986903013 /nfs/dbraw/zinc/90/30/13/986903013.db2.gz UMZUCPGUONCEDA-UHFFFAOYSA-N 1 2 244.273 1.866 20 0 BDADLO Cc1cncnc1-c1c[nH+]c(N)c(C)c1 ZINC001245535220 986903490 /nfs/dbraw/zinc/90/34/90/986903490.db2.gz IQLLLCISCAWNCF-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO Cc1cc(-c2cnc(N)c(F)c2)c[nH+]c1N ZINC001245521785 986905893 /nfs/dbraw/zinc/90/58/93/986905893.db2.gz PUTWSEJGDKMVTM-UHFFFAOYSA-N 1 2 218.235 1.756 20 0 BDADLO Cc1cn2cc(-c3c[nH+]c(N)c(C)c3)ncc2n1 ZINC001245538020 986921358 /nfs/dbraw/zinc/92/13/58/986921358.db2.gz JKEMRNRHLVJFAK-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2ccc([S@](C)=O)cn2)c[nH+]c1N ZINC001245540354 986927907 /nfs/dbraw/zinc/92/79/07/986927907.db2.gz QATCXQWYFHJAJP-KRWDZBQOSA-N 1 2 247.323 1.772 20 0 BDADLO Cc1cc(-c2cnc(C)c(C(N)=O)c2)c[nH+]c1N ZINC001245541368 986929431 /nfs/dbraw/zinc/92/94/31/986929431.db2.gz RXAVQYHFGRTNBY-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO COC[C@@H](C)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001255576918 987027319 /nfs/dbraw/zinc/02/73/19/987027319.db2.gz SQSYBRPBZSXVJH-SNVBAGLBSA-N 1 2 248.317 1.437 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C\SC)c[nH+]1 ZINC001472018622 987158732 /nfs/dbraw/zinc/15/87/32/987158732.db2.gz ISJDWRUZVYDFTC-PLNGDYQASA-N 1 2 225.317 1.465 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=CSC)[nH+]1 ZINC001472018622 987158745 /nfs/dbraw/zinc/15/87/45/987158745.db2.gz ISJDWRUZVYDFTC-PLNGDYQASA-N 1 2 225.317 1.465 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cccnc2F)c[nH+]1 ZINC001472021010 987164210 /nfs/dbraw/zinc/16/42/10/987164210.db2.gz OCEBXWHNCNLJNF-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cccnc2F)[nH+]1 ZINC001472021010 987164227 /nfs/dbraw/zinc/16/42/27/987164227.db2.gz OCEBXWHNCNLJNF-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO [NH3+]Cc1cc(=O)n(-c2c(F)cc(F)cc2F)[nH]1 ZINC001245922537 987169099 /nfs/dbraw/zinc/16/90/99/987169099.db2.gz DSFPBJNZAZJGCV-UHFFFAOYSA-N 1 2 243.188 1.454 20 0 BDADLO C[C@@H]1CCC[C@@H]1n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245927373 987180378 /nfs/dbraw/zinc/18/03/78/987180378.db2.gz PLSNREJDUQOMDH-KCJUWKMLSA-N 1 2 221.304 1.637 20 0 BDADLO Nc1cccc(-c2cc(=O)n(CCC[NH3+])[nH]2)c1 ZINC001245952837 987235630 /nfs/dbraw/zinc/23/56/30/987235630.db2.gz GJIORPWONMRQQM-UHFFFAOYSA-N 1 2 232.287 1.187 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](COC)OC)c1noc(C)n1 ZINC001473367749 987404715 /nfs/dbraw/zinc/40/47/15/987404715.db2.gz BHVLYTHNXUFJSB-NXEZZACHSA-N 1 2 243.307 1.080 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC001116061991 987434964 /nfs/dbraw/zinc/43/49/64/987434964.db2.gz BSRQAFOCJBIFNR-MRVPVSSYSA-N 1 2 219.248 1.114 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC(OC2CCC2)CC1 ZINC001473562811 987482361 /nfs/dbraw/zinc/48/23/61/987482361.db2.gz SPQOJHZFCNVEAU-LBPRGKRZSA-N 1 2 239.315 1.335 20 0 BDADLO C[C@@H](C(=O)NCC1(C)CCC1)n1cc[nH+]c1 ZINC001116226533 987488156 /nfs/dbraw/zinc/48/81/56/987488156.db2.gz WVUSPHFPPBQDQX-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001116355026 987531995 /nfs/dbraw/zinc/53/19/95/987531995.db2.gz FYPIWFVLYGZUFS-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO C[C@H](C(=O)Nc1cccc(CO)c1)n1cc[nH+]c1 ZINC001116406523 987556493 /nfs/dbraw/zinc/55/64/93/987556493.db2.gz LCTTVQSQPDVDKN-SNVBAGLBSA-N 1 2 245.282 1.575 20 0 BDADLO CO[C@@H](C)C[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473798660 987567185 /nfs/dbraw/zinc/56/71/85/987567185.db2.gz ZYCAQXJFVBVQGR-ZJUUUORDSA-N 1 2 223.320 1.439 20 0 BDADLO CO[C@@H](C)C[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473798660 987567195 /nfs/dbraw/zinc/56/71/95/987567195.db2.gz ZYCAQXJFVBVQGR-ZJUUUORDSA-N 1 2 223.320 1.439 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cnccn2)ncn1 ZINC001116461837 987590706 /nfs/dbraw/zinc/59/07/06/987590706.db2.gz YQFACOJLMYANRQ-SNVBAGLBSA-N 1 2 229.287 1.426 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1CF)c1nnnn1C ZINC001473861128 987592675 /nfs/dbraw/zinc/59/26/75/987592675.db2.gz PANSUAYDYSUQBV-SECBINFHSA-N 1 2 249.293 1.530 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC[C@]23CCOC3)[nH]1 ZINC001473895842 987608600 /nfs/dbraw/zinc/60/86/00/987608600.db2.gz XPIVBWLXLGXQFY-GFCCVEGCSA-N 1 2 236.319 1.258 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC[C@]23CCOC3)[nH]1 ZINC001473895842 987608603 /nfs/dbraw/zinc/60/86/03/987608603.db2.gz XPIVBWLXLGXQFY-GFCCVEGCSA-N 1 2 236.319 1.258 20 0 BDADLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1Cc1cn[nH]c1 ZINC001473907039 987614821 /nfs/dbraw/zinc/61/48/21/987614821.db2.gz ZRTRGQDORXGZCF-TUAOUCFPSA-N 1 2 249.314 1.326 20 0 BDADLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1Cc1cn[nH]c1 ZINC001473907039 987614827 /nfs/dbraw/zinc/61/48/27/987614827.db2.gz ZRTRGQDORXGZCF-TUAOUCFPSA-N 1 2 249.314 1.326 20 0 BDADLO CC(C)(O)[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2)CC1 ZINC001246218212 987616471 /nfs/dbraw/zinc/61/64/71/987616471.db2.gz PNLKVXIVFASYGM-JHJVBQTASA-N 1 2 240.391 1.658 20 0 BDADLO CCc1cnc(CNC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001116868237 987739672 /nfs/dbraw/zinc/73/96/72/987739672.db2.gz XLEUHRNMEKQWPH-SECBINFHSA-N 1 2 248.286 1.311 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116893114 987750711 /nfs/dbraw/zinc/75/07/11/987750711.db2.gz HGDAXAWSZFCTAW-OPRDCNLKSA-N 1 2 207.277 1.359 20 0 BDADLO Cc1cnccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001474546826 987756209 /nfs/dbraw/zinc/75/62/09/987756209.db2.gz PXYASYZBJCRBQX-UHFFFAOYSA-N 1 2 243.314 1.675 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)n(C)n1 ZINC001117074146 987778397 /nfs/dbraw/zinc/77/83/97/987778397.db2.gz DHUQDPNDXBYBRS-ZJUUUORDSA-N 1 2 248.334 1.269 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nc(CO)cs2)C1 ZINC001474717228 987807097 /nfs/dbraw/zinc/80/70/97/987807097.db2.gz IOAAWWBJQZVFRZ-SECBINFHSA-N 1 2 242.344 1.104 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001474717228 987807101 /nfs/dbraw/zinc/80/71/01/987807101.db2.gz IOAAWWBJQZVFRZ-SECBINFHSA-N 1 2 242.344 1.104 20 0 BDADLO COCCOC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001475724306 987831447 /nfs/dbraw/zinc/83/14/47/987831447.db2.gz YRFQZZVIFLRXHV-UHFFFAOYSA-N 1 2 241.291 1.406 20 0 BDADLO COCCOC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001475724306 987831450 /nfs/dbraw/zinc/83/14/50/987831450.db2.gz YRFQZZVIFLRXHV-UHFFFAOYSA-N 1 2 241.291 1.406 20 0 BDADLO CSC1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001321428158 987903089 /nfs/dbraw/zinc/90/30/89/987903089.db2.gz ZEJXGOFHWKHAJV-SECBINFHSA-N 1 2 239.344 1.456 20 0 BDADLO CC[C@@](C)(CNC(=O)[C@@H](C)n1cc[nH+]c1)OC ZINC001117796328 987922394 /nfs/dbraw/zinc/92/23/94/987922394.db2.gz HHCPJHMSVJMNKH-PWSUYJOCSA-N 1 2 239.319 1.375 20 0 BDADLO [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCOCC2)C1 ZINC001246575828 988080101 /nfs/dbraw/zinc/08/01/01/988080101.db2.gz JCQFKIUJZDIQHG-GFCCVEGCSA-N 1 2 230.327 1.318 20 0 BDADLO CCC(CC)CC(=O)NC1C[NH+](CCOC)C1 ZINC001494474642 988148168 /nfs/dbraw/zinc/14/81/68/988148168.db2.gz VYCSSKDNWGYLCW-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)n1cc[nH+]c1 ZINC001118270701 988168417 /nfs/dbraw/zinc/16/84/17/988168417.db2.gz AQBRLOAJVRGMFM-XHNCKOQMSA-N 1 2 241.241 1.168 20 0 BDADLO C[NH+](C)Cc1nnc(C2(C)CCCC2)o1 ZINC001322339809 988194303 /nfs/dbraw/zinc/19/43/03/988194303.db2.gz NIERPEFRFMPHBN-UHFFFAOYSA-N 1 2 209.293 1.963 20 0 BDADLO Cc1[nH]c(CN[C@H]2CCn3ccnc32)[nH+]c1C ZINC001118421074 988334294 /nfs/dbraw/zinc/33/42/94/988334294.db2.gz XVGNREXPIGZVJX-JTQLQIEISA-N 1 2 231.303 1.458 20 0 BDADLO CC(C)C[C@H]1CC[N@H+](Cc2nnc[nH]2)C1 ZINC001118556480 988433497 /nfs/dbraw/zinc/43/34/97/988433497.db2.gz HKXCFOCCDWFBNJ-SNVBAGLBSA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)C[C@H]1CC[N@@H+](Cc2nnc[nH]2)C1 ZINC001118556480 988433508 /nfs/dbraw/zinc/43/35/08/988433508.db2.gz HKXCFOCCDWFBNJ-SNVBAGLBSA-N 1 2 208.309 1.673 20 0 BDADLO Cc1noc([C@H](C)[NH2+]C[C@@H](O)c2ccccn2)n1 ZINC001118576166 988459261 /nfs/dbraw/zinc/45/92/61/988459261.db2.gz IBSWGWQYPKRFMB-GZMMTYOYSA-N 1 2 248.286 1.157 20 0 BDADLO CCC(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)on1 ZINC001498207781 988467280 /nfs/dbraw/zinc/46/72/80/988467280.db2.gz WFISGLGHDMZQJV-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO CCC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)on1 ZINC001498207781 988467287 /nfs/dbraw/zinc/46/72/87/988467287.db2.gz WFISGLGHDMZQJV-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1CC(F)(F)C1 ZINC001118777893 988579989 /nfs/dbraw/zinc/57/99/89/988579989.db2.gz HXAFDCJEHHVJQQ-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO Cc1cc(NC(=O)c2c[nH]c(C3CC3)n2)cc[nH+]1 ZINC001323797685 988619202 /nfs/dbraw/zinc/61/92/02/988619202.db2.gz NPVHEQZOHXEVOR-UHFFFAOYSA-N 1 2 242.282 1.665 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001501774181 988619918 /nfs/dbraw/zinc/61/99/18/988619918.db2.gz ZANDLAYDSCCPIG-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001501774181 988619937 /nfs/dbraw/zinc/61/99/37/988619937.db2.gz ZANDLAYDSCCPIG-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(F)F ZINC001548717910 988656478 /nfs/dbraw/zinc/65/64/78/988656478.db2.gz QFCOWBNMSBUQDA-YUMQZZPRSA-N 1 2 243.257 1.215 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(F)F ZINC001548718098 988661076 /nfs/dbraw/zinc/66/10/76/988661076.db2.gz WTUFNSLNSIDBTD-HTQZYQBOSA-N 1 2 243.257 1.215 20 0 BDADLO Cc1noc(C[N@@H+]2CC(C)(C)C2(C)C)n1 ZINC001324145317 988722359 /nfs/dbraw/zinc/72/23/59/988722359.db2.gz LSEJGMLAMBMYGB-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1noc(C[N@H+]2CC(C)(C)C2(C)C)n1 ZINC001324145317 988722368 /nfs/dbraw/zinc/72/23/68/988722368.db2.gz LSEJGMLAMBMYGB-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(C(C)=O)cc1 ZINC001324418554 988836844 /nfs/dbraw/zinc/83/68/44/988836844.db2.gz XFULXRWQLGKKQR-UHFFFAOYSA-N 1 2 248.326 1.457 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(C(C)=O)cc1 ZINC001324418554 988836849 /nfs/dbraw/zinc/83/68/49/988836849.db2.gz XFULXRWQLGKKQR-UHFFFAOYSA-N 1 2 248.326 1.457 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCCC1CC1 ZINC001119107771 988840882 /nfs/dbraw/zinc/84/08/82/988840882.db2.gz CBOHDJGGKHWXCM-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO COCOc1ccc2[nH]c(CCCO)[nH+]c2c1 ZINC001247017855 988845529 /nfs/dbraw/zinc/84/55/29/988845529.db2.gz PLUXBHHXDVDPPP-UHFFFAOYSA-N 1 2 236.271 1.471 20 0 BDADLO COc1ccc2[nH+]c(CCCCO)n(C)c2c1 ZINC001247040910 988847645 /nfs/dbraw/zinc/84/76/45/988847645.db2.gz NNWAEVFKPIRQPO-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO O=C([O-])[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001601793712 988890611 /nfs/dbraw/zinc/89/06/11/988890611.db2.gz KCJBEIPEUCCVSU-BBBLOLIVSA-N 1 2 249.314 1.110 20 0 BDADLO CC(C)OC(=O)C[NH+]1CCC(C)(F)CC1 ZINC001119314742 988935735 /nfs/dbraw/zinc/93/57/35/988935735.db2.gz GNBIAEUZLGKADT-UHFFFAOYSA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]C[C@H](O)C1CC1)C(C)C ZINC001324702039 988936960 /nfs/dbraw/zinc/93/69/60/988936960.db2.gz UFXGJEUINQOPLO-RYUDHWBXSA-N 1 2 243.347 1.323 20 0 BDADLO Cc1c(F)cccc1-c1noc([C@@H]([NH3+])CO)n1 ZINC001247611128 988945299 /nfs/dbraw/zinc/94/52/99/988945299.db2.gz FIJAYGPMWFUDQI-VIFPVBQESA-N 1 2 237.234 1.176 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)cc1 ZINC001119325847 988945345 /nfs/dbraw/zinc/94/53/45/988945345.db2.gz ULRNLHOCKRTVSA-CYBMUJFWSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC=C[C@@H]2CO)cc1 ZINC001119325847 988945359 /nfs/dbraw/zinc/94/53/59/988945359.db2.gz ULRNLHOCKRTVSA-CYBMUJFWSA-N 1 2 246.310 1.166 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC001324764137 988971609 /nfs/dbraw/zinc/97/16/09/988971609.db2.gz NXSSYLJXWSPSAJ-OUAUKWLOSA-N 1 2 237.303 1.128 20 0 BDADLO C[N@H+](CCCF)CN1C(=O)CC2(CCC2)C1=O ZINC001119396083 989036541 /nfs/dbraw/zinc/03/65/41/989036541.db2.gz JJRGMFJOBKIPRJ-UHFFFAOYSA-N 1 2 242.294 1.165 20 0 BDADLO C[N@@H+](CCCF)CN1C(=O)CC2(CCC2)C1=O ZINC001119396083 989036550 /nfs/dbraw/zinc/03/65/50/989036550.db2.gz JJRGMFJOBKIPRJ-UHFFFAOYSA-N 1 2 242.294 1.165 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)(C)O ZINC001325063550 989073186 /nfs/dbraw/zinc/07/31/86/989073186.db2.gz LZIJGXGIHJWTMU-NXEZZACHSA-N 1 2 239.319 1.110 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CS(=O)C3)cs1 ZINC001248801207 989149543 /nfs/dbraw/zinc/14/95/43/989149543.db2.gz FVIDGAYDGRYQRL-UHFFFAOYSA-N 1 2 241.381 1.621 20 0 BDADLO COC1C[NH+](Cc2ccc3n2CCC3)C1 ZINC001248820228 989174723 /nfs/dbraw/zinc/17/47/23/989174723.db2.gz DBPKIFRCLQQPSS-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248820860 989180491 /nfs/dbraw/zinc/18/04/91/989180491.db2.gz FZUQXNLGNSNHDB-CYBMUJFWSA-N 1 2 248.326 1.572 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc2n1CCC2 ZINC001248820860 989180497 /nfs/dbraw/zinc/18/04/97/989180497.db2.gz FZUQXNLGNSNHDB-CYBMUJFWSA-N 1 2 248.326 1.572 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001325457907 989192578 /nfs/dbraw/zinc/19/25/78/989192578.db2.gz OZZTVXDCIWLLAT-GARJFASQSA-N 1 2 237.303 1.128 20 0 BDADLO CCO[C@@H]1C[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001325803976 989265998 /nfs/dbraw/zinc/26/59/98/989265998.db2.gz ZXKHDVAISZVRSH-JGVFFNPUSA-N 1 2 211.265 1.024 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@H](C)OC ZINC001518049131 989278095 /nfs/dbraw/zinc/27/80/95/989278095.db2.gz RXWVASGIHFTVNY-VIFPVBQESA-N 1 2 226.276 1.371 20 0 BDADLO CCO[C@@H](CC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001518384357 989301771 /nfs/dbraw/zinc/30/17/71/989301771.db2.gz OLTQEAVBYCQWHY-NSHDSACASA-N 1 2 236.315 1.874 20 0 BDADLO CCN1CCc2ccc(C[NH+]3CC(O)C3)cc21 ZINC001249657336 989337393 /nfs/dbraw/zinc/33/73/93/989337393.db2.gz IGPCPNFCFBRFOQ-UHFFFAOYSA-N 1 2 232.327 1.246 20 0 BDADLO C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC001599871467 989356801 /nfs/dbraw/zinc/35/68/01/989356801.db2.gz BOVIBPWSQBBUHB-BXKDBHETSA-N 1 2 234.299 1.082 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@@H]1F ZINC001519042241 989376382 /nfs/dbraw/zinc/37/63/82/989376382.db2.gz VPNGPFGZYPEIOY-STQMWFEESA-N 1 2 248.301 1.476 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1F ZINC001519515035 989425627 /nfs/dbraw/zinc/42/56/27/989425627.db2.gz ROZLOUOPHRSLFH-NXEZZACHSA-N 1 2 237.278 1.358 20 0 BDADLO C[C@H](C1CC1)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC001119843761 989432958 /nfs/dbraw/zinc/43/29/58/989432958.db2.gz GIINLIUMMCOMBL-APPZFPTMSA-N 1 2 205.248 1.487 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2nncs2)C1 ZINC001119825384 989427794 /nfs/dbraw/zinc/42/77/94/989427794.db2.gz QDUVHLHRQJONSU-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2nncs2)C1 ZINC001119825384 989427797 /nfs/dbraw/zinc/42/77/97/989427797.db2.gz QDUVHLHRQJONSU-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO C[C@H](C1CC1)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC001119843761 989432951 /nfs/dbraw/zinc/43/29/51/989432951.db2.gz GIINLIUMMCOMBL-APPZFPTMSA-N 1 2 205.248 1.487 20 0 BDADLO OCC12CCC(CC1)[N@@H+]2Cc1nncs1 ZINC001119846845 989437211 /nfs/dbraw/zinc/43/72/11/989437211.db2.gz ZWKIFMLNXDREPU-UHFFFAOYSA-N 1 2 225.317 1.027 20 0 BDADLO OCC12CCC(CC1)[N@H+]2Cc1nncs1 ZINC001119846845 989437230 /nfs/dbraw/zinc/43/72/30/989437230.db2.gz ZWKIFMLNXDREPU-UHFFFAOYSA-N 1 2 225.317 1.027 20 0 BDADLO Cc1c[nH]c(NC(=O)CCc2[nH+]ccn2C)n1 ZINC001519802021 989456056 /nfs/dbraw/zinc/45/60/56/989456056.db2.gz AVLIDAMAOKGBHF-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCn2cncc2C1 ZINC001120052984 989581753 /nfs/dbraw/zinc/58/17/53/989581753.db2.gz CZPMWXQTQWCXSB-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCn2cncc2C1 ZINC001120052984 989581760 /nfs/dbraw/zinc/58/17/60/989581760.db2.gz CZPMWXQTQWCXSB-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2cncs2)o1 ZINC001326553335 989604211 /nfs/dbraw/zinc/60/42/11/989604211.db2.gz NCZBHHWTQUQIHQ-UHFFFAOYSA-N 1 2 224.289 1.179 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]1C(C)(C)C ZINC001520815023 989610469 /nfs/dbraw/zinc/61/04/69/989610469.db2.gz YSLCLAACBASJDX-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO Cn1c(C[N@@H+]2C[C@H](O)C3(CC3)C2)cnc1Cl ZINC001326852390 989748641 /nfs/dbraw/zinc/74/86/41/989748641.db2.gz JKQRPZFADWNCRH-VIFPVBQESA-N 1 2 241.722 1.030 20 0 BDADLO Cn1c(C[N@H+]2C[C@H](O)C3(CC3)C2)cnc1Cl ZINC001326852390 989748659 /nfs/dbraw/zinc/74/86/59/989748659.db2.gz JKQRPZFADWNCRH-VIFPVBQESA-N 1 2 241.722 1.030 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2CCCSC2)o1 ZINC001326988659 989775217 /nfs/dbraw/zinc/77/52/17/989775217.db2.gz XVRDHJISBYASCI-MRVPVSSYSA-N 1 2 227.333 1.742 20 0 BDADLO Cc1conc1CNC(=O)CCCn1cc[nH+]c1 ZINC001521925778 989819977 /nfs/dbraw/zinc/81/99/77/989819977.db2.gz UPMUBTVMWSWRFX-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO CCC/C=C/C(=O)NCCc1[nH+]ccn1C ZINC001521994807 989821865 /nfs/dbraw/zinc/82/18/65/989821865.db2.gz ZORYVCPVWJZHDA-AATRIKPKSA-N 1 2 221.304 1.435 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2ccns2)C[C@H]1C ZINC001120710145 989841048 /nfs/dbraw/zinc/84/10/48/989841048.db2.gz GPZBEOURKBQNAI-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2ccns2)C[C@H]1C ZINC001120710145 989841049 /nfs/dbraw/zinc/84/10/49/989841049.db2.gz GPZBEOURKBQNAI-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO Cc1cc(F)cc(N2CC(F)(F)C[C@@H]2CO)[nH+]1 ZINC001120839048 989915470 /nfs/dbraw/zinc/91/54/70/989915470.db2.gz OUEJDJILXFVUCC-SECBINFHSA-N 1 2 246.232 1.735 20 0 BDADLO CN(C)c1cc(N2CCC[C@H]2C2CC2)nc[nH+]1 ZINC001120897337 989956510 /nfs/dbraw/zinc/95/65/10/989956510.db2.gz VJYYOAAZCIZEPQ-NSHDSACASA-N 1 2 232.331 1.921 20 0 BDADLO CN(C)c1cc(N2CCC[C@H]2C2CC2)[nH+]cn1 ZINC001120897337 989956518 /nfs/dbraw/zinc/95/65/18/989956518.db2.gz VJYYOAAZCIZEPQ-NSHDSACASA-N 1 2 232.331 1.921 20 0 BDADLO CCc1ccc(N2CC[C@](C)(O)C2)[nH+]c1 ZINC001120902144 989958372 /nfs/dbraw/zinc/95/83/72/989958372.db2.gz YUWKWQTWAGFNEJ-LBPRGKRZSA-N 1 2 206.289 1.605 20 0 BDADLO CC(C)CO[C@H]1CCN(c2cc(N)nc[nH+]2)C1 ZINC001120909295 989960979 /nfs/dbraw/zinc/96/09/79/989960979.db2.gz FCFHZANJJCWTQR-JTQLQIEISA-N 1 2 236.319 1.310 20 0 BDADLO Nc1cc(N2CCC[C@@H](OCC3CC3)C2)[nH+]cn1 ZINC001120920153 989966829 /nfs/dbraw/zinc/96/68/29/989966829.db2.gz HBQRAPCKPBXIOX-LLVKDONJSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1nc(N(C)Cc2cn[nH]c2)c(C)c(C)[nH+]1 ZINC001120961956 989990133 /nfs/dbraw/zinc/99/01/33/989990133.db2.gz CKFZULPRTQGWHF-UHFFFAOYSA-N 1 2 231.303 1.761 20 0 BDADLO CCc1ncoc1C(=O)Nc1cc(C)[nH+]cc1C ZINC001121037547 990004365 /nfs/dbraw/zinc/00/43/65/990004365.db2.gz MDIDPQFJGKHTMR-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121309315 990075058 /nfs/dbraw/zinc/07/50/58/990075058.db2.gz YPKYRFAVKWOHOU-PWSUYJOCSA-N 1 2 247.342 1.782 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)c1ccoc1 ZINC001525847316 990074993 /nfs/dbraw/zinc/07/49/93/990074993.db2.gz JTZZEUYLFBTDBO-UHFFFAOYSA-N 1 2 234.255 1.803 20 0 BDADLO CC(C)(COC(=O)Cc1ccoc1)n1cc[nH+]c1 ZINC001526087093 990108095 /nfs/dbraw/zinc/10/80/95/990108095.db2.gz GXXLHXGZZMQTDM-UHFFFAOYSA-N 1 2 248.282 1.997 20 0 BDADLO COC(C)(C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001526098354 990113170 /nfs/dbraw/zinc/11/31/70/990113170.db2.gz CGLKVSCMLLFAAI-UHFFFAOYSA-N 1 2 240.303 1.586 20 0 BDADLO CC[C@@H](F)C(=O)OCc1c[nH+]cn1CC ZINC001527012881 990198276 /nfs/dbraw/zinc/19/82/76/990198276.db2.gz ZMBLEAIYGVDXAL-SECBINFHSA-N 1 2 214.240 1.694 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1c(C)noc1C ZINC001527008569 990200521 /nfs/dbraw/zinc/20/05/21/990200521.db2.gz XGHZWRDMHJRERO-UHFFFAOYSA-N 1 2 249.270 1.865 20 0 BDADLO O=C(NCC[NH2+]Cc1ncc(C2CC2)o1)C1CC1 ZINC001122432136 990384491 /nfs/dbraw/zinc/38/44/91/990384491.db2.gz IXCMUDMNBGCDGV-UHFFFAOYSA-N 1 2 249.314 1.168 20 0 BDADLO COC(C)(C)C(=O)OCCCc1c[nH+]cn1C ZINC001123065830 990503385 /nfs/dbraw/zinc/50/33/85/990503385.db2.gz IVRAUKWMPJYVHE-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO Cc1cc(NC(=O)c2cnc(F)c(C)c2)cc[nH+]1 ZINC001537534894 990505109 /nfs/dbraw/zinc/50/51/09/990505109.db2.gz IRLZNLFOKOIUOA-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CCn1c[nH+]cc1COC(=O)COCC(F)F ZINC001123374703 990564677 /nfs/dbraw/zinc/56/46/77/990564677.db2.gz FJEBBXAOJXTUDM-UHFFFAOYSA-N 1 2 248.229 1.228 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccnn1C(C)C ZINC001539408671 990569498 /nfs/dbraw/zinc/56/94/98/990569498.db2.gz YMTLEVPLMGHZMS-JTQLQIEISA-N 1 2 236.319 1.497 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccnn1C(C)C ZINC001539408671 990569505 /nfs/dbraw/zinc/56/95/05/990569505.db2.gz YMTLEVPLMGHZMS-JTQLQIEISA-N 1 2 236.319 1.497 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cccc(F)c1O ZINC001540772031 990646183 /nfs/dbraw/zinc/64/61/83/990646183.db2.gz IBJKHWGHDWTIPY-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1=CCCC1 ZINC001123921324 990703435 /nfs/dbraw/zinc/70/34/35/990703435.db2.gz JHHRTHUGGRZNCO-UHFFFAOYSA-N 1 2 219.288 1.189 20 0 BDADLO CC[C@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001123925119 990706503 /nfs/dbraw/zinc/70/65/03/990706503.db2.gz QYYLZOZYKVEVRZ-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO Cc1ncccc1C(=O)NCCc1[nH+]ccn1C ZINC001124007567 990730937 /nfs/dbraw/zinc/73/09/37/990730937.db2.gz IGMLFMHYVVHTLE-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C2(C)CC2)co1 ZINC001124058502 990745272 /nfs/dbraw/zinc/74/52/72/990745272.db2.gz OMJICUIJWQXHME-UHFFFAOYSA-N 1 2 237.303 1.153 20 0 BDADLO CCO/C=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001545361895 990750054 /nfs/dbraw/zinc/75/00/54/990750054.db2.gz CODNGTMVZNGXHY-AATRIKPKSA-N 1 2 223.276 1.193 20 0 BDADLO CCOC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001545361895 990750058 /nfs/dbraw/zinc/75/00/58/990750058.db2.gz CODNGTMVZNGXHY-AATRIKPKSA-N 1 2 223.276 1.193 20 0 BDADLO Nc1cc(N2CC[C@H](COC(F)F)C2)[nH+]cn1 ZINC001548517496 990765206 /nfs/dbraw/zinc/76/52/06/990765206.db2.gz ORKBUUGLURYDJV-ZETCQYMHSA-N 1 2 244.245 1.124 20 0 BDADLO CC[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001548637172 990775480 /nfs/dbraw/zinc/77/54/80/990775480.db2.gz YOLHONHTFPTOQA-JTQLQIEISA-N 1 2 223.320 1.610 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc2nonc21 ZINC001556554876 990832364 /nfs/dbraw/zinc/83/23/64/990832364.db2.gz QRQMAWZPHZBDDU-SNVBAGLBSA-N 1 2 246.270 1.256 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc2nonc21 ZINC001556554876 990832366 /nfs/dbraw/zinc/83/23/66/990832366.db2.gz QRQMAWZPHZBDDU-SNVBAGLBSA-N 1 2 246.270 1.256 20 0 BDADLO CC[C@H](C)CONC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001556803976 990857043 /nfs/dbraw/zinc/85/70/43/990857043.db2.gz POPWDDBRHZFHAT-WDEREUQCSA-N 1 2 246.326 1.514 20 0 BDADLO CC[C@H](C)CONC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001556803976 990857046 /nfs/dbraw/zinc/85/70/46/990857046.db2.gz POPWDDBRHZFHAT-WDEREUQCSA-N 1 2 246.326 1.514 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC001138160928 990892564 /nfs/dbraw/zinc/89/25/64/990892564.db2.gz FFANDVVARYSHBN-NSHDSACASA-N 1 2 224.283 1.383 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC001138160928 990892565 /nfs/dbraw/zinc/89/25/65/990892565.db2.gz FFANDVVARYSHBN-NSHDSACASA-N 1 2 224.283 1.383 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1cncs1 ZINC000225256893 990899006 /nfs/dbraw/zinc/89/90/06/990899006.db2.gz KFZIQFGACUHSEJ-UHFFFAOYSA-N 1 2 223.305 1.044 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001558088751 990922579 /nfs/dbraw/zinc/92/25/79/990922579.db2.gz YKHLKXHFSKPDPJ-NEPJUHHUSA-N 1 2 247.342 1.680 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC000162085935 990948946 /nfs/dbraw/zinc/94/89/46/990948946.db2.gz NCILMFJPHHPJIT-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2C[C@H]2C)c[nH+]1 ZINC001558497295 990949737 /nfs/dbraw/zinc/94/97/37/990949737.db2.gz JEIDUELHOPYTEJ-APPZFPTMSA-N 1 2 207.277 1.244 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@H]2C)[nH+]1 ZINC001558497295 990949743 /nfs/dbraw/zinc/94/97/43/990949743.db2.gz JEIDUELHOPYTEJ-APPZFPTMSA-N 1 2 207.277 1.244 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CCC=CO2)c[nH+]1 ZINC001558497598 990953308 /nfs/dbraw/zinc/95/33/08/990953308.db2.gz VSSFKLLCOZKWMR-JTQLQIEISA-N 1 2 235.287 1.281 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CCC=CO2)[nH+]1 ZINC001558497598 990953312 /nfs/dbraw/zinc/95/33/12/990953312.db2.gz VSSFKLLCOZKWMR-JTQLQIEISA-N 1 2 235.287 1.281 20 0 BDADLO COc1ccc(C)cc1C[NH+]1CC2(CN(C)C2)C1 ZINC001138489678 990961853 /nfs/dbraw/zinc/96/18/53/990961853.db2.gz WWKALQPWTBGTTE-UHFFFAOYSA-N 1 2 246.354 1.751 20 0 BDADLO CC[C@H](C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001558538020 990963108 /nfs/dbraw/zinc/96/31/08/990963108.db2.gz VXWVRWKRHOLCOP-VIFPVBQESA-N 1 2 235.331 1.951 20 0 BDADLO CC[C@@H](C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001558538019 990964137 /nfs/dbraw/zinc/96/41/37/990964137.db2.gz VXWVRWKRHOLCOP-SECBINFHSA-N 1 2 235.331 1.951 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001138579084 990973374 /nfs/dbraw/zinc/97/33/74/990973374.db2.gz ZSUGENTZRUPRSY-QWRGUYRKSA-N 1 2 235.331 1.680 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001138579084 990973378 /nfs/dbraw/zinc/97/33/78/990973378.db2.gz ZSUGENTZRUPRSY-QWRGUYRKSA-N 1 2 235.331 1.680 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c1C ZINC001138645468 990999476 /nfs/dbraw/zinc/99/94/76/990999476.db2.gz KPDBYDTTYVSMOJ-STQMWFEESA-N 1 2 248.374 1.408 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1C ZINC001138645468 990999487 /nfs/dbraw/zinc/99/94/87/990999487.db2.gz KPDBYDTTYVSMOJ-STQMWFEESA-N 1 2 248.374 1.408 20 0 BDADLO CNc1ncccc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001138690182 991004502 /nfs/dbraw/zinc/00/45/02/991004502.db2.gz SUVVIJMDXYLSKF-MNOVXSKESA-N 1 2 239.294 1.028 20 0 BDADLO CNc1ncccc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC001138690182 991004510 /nfs/dbraw/zinc/00/45/10/991004510.db2.gz SUVVIJMDXYLSKF-MNOVXSKESA-N 1 2 239.294 1.028 20 0 BDADLO CNc1ncccc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001138690237 991005303 /nfs/dbraw/zinc/00/53/03/991005303.db2.gz VYLSWXJRMKZOLD-NSHDSACASA-N 1 2 247.342 1.924 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001138690237 991005313 /nfs/dbraw/zinc/00/53/13/991005313.db2.gz VYLSWXJRMKZOLD-NSHDSACASA-N 1 2 247.342 1.924 20 0 BDADLO CNc1ncccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001138690645 991005493 /nfs/dbraw/zinc/00/54/93/991005493.db2.gz OVSKAJKXHYYSGF-SDDRHHMPSA-N 1 2 235.306 1.913 20 0 BDADLO CNc1ncccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001138690645 991005498 /nfs/dbraw/zinc/00/54/98/991005498.db2.gz OVSKAJKXHYYSGF-SDDRHHMPSA-N 1 2 235.306 1.913 20 0 BDADLO c1cc2c(cc1C[N@H+]1C[C@H]3C[C@@H](C1)O3)CCCO2 ZINC001138718801 991018557 /nfs/dbraw/zinc/01/85/57/991018557.db2.gz MTSAYUUYTSLILM-OKILXGFUSA-N 1 2 245.322 1.985 20 0 BDADLO c1cc2c(cc1C[N@@H+]1C[C@H]3C[C@@H](C1)O3)CCCO2 ZINC001138718801 991018564 /nfs/dbraw/zinc/01/85/64/991018564.db2.gz MTSAYUUYTSLILM-OKILXGFUSA-N 1 2 245.322 1.985 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnc3[nH]ccc3c2)C[C@@H]1F ZINC001138737430 991028988 /nfs/dbraw/zinc/02/89/88/991028988.db2.gz RAIZUBLRQPSFSY-NWDGAFQWSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2)C[C@@H]1F ZINC001138737430 991028995 /nfs/dbraw/zinc/02/89/95/991028995.db2.gz RAIZUBLRQPSFSY-NWDGAFQWSA-N 1 2 249.289 1.732 20 0 BDADLO Cc1c[nH]c(Nc2nccn3c(C)nnc23)[nH+]1 ZINC001559135314 991037041 /nfs/dbraw/zinc/03/70/41/991037041.db2.gz FNTVPNDWORCDRG-UHFFFAOYSA-N 1 2 229.247 1.208 20 0 BDADLO COCC[NH+](CCOC)Cc1cccnc1F ZINC001138784294 991046710 /nfs/dbraw/zinc/04/67/10/991046710.db2.gz GCCVGCBUYPJCCQ-UHFFFAOYSA-N 1 2 242.294 1.316 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nc(CO)cs1 ZINC001308573066 991047781 /nfs/dbraw/zinc/04/77/81/991047781.db2.gz LTJDNHQFHGWQQY-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nc(CO)cs1 ZINC001308573066 991047796 /nfs/dbraw/zinc/04/77/96/991047796.db2.gz LTJDNHQFHGWQQY-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO Fc1ncccc1C[N@@H+]1CCn2cncc2C1 ZINC001138787237 991052071 /nfs/dbraw/zinc/05/20/71/991052071.db2.gz FKYMBRXVECXPEI-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1ncccc1C[N@H+]1CCn2cncc2C1 ZINC001138787237 991052076 /nfs/dbraw/zinc/05/20/76/991052076.db2.gz FKYMBRXVECXPEI-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc2ccnn21 ZINC001138804708 991063877 /nfs/dbraw/zinc/06/38/77/991063877.db2.gz SSZCFNFWOZAHLQ-MFKMUULPSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc2ccnn21 ZINC001138804708 991063883 /nfs/dbraw/zinc/06/38/83/991063883.db2.gz SSZCFNFWOZAHLQ-MFKMUULPSA-N 1 2 249.289 1.239 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccc2ccnn21 ZINC001138808482 991067569 /nfs/dbraw/zinc/06/75/69/991067569.db2.gz XIEKIVIGGUHQOT-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccc2ccnn21 ZINC001138808482 991067576 /nfs/dbraw/zinc/06/75/76/991067576.db2.gz XIEKIVIGGUHQOT-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccnc(Cl)c2)CC[C@H]1F ZINC001138818698 991068566 /nfs/dbraw/zinc/06/85/66/991068566.db2.gz VZLVQQDASMVDMU-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@H]1F ZINC001138818698 991068574 /nfs/dbraw/zinc/06/85/74/991068574.db2.gz VZLVQQDASMVDMU-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO CC(C)[N@H+](C)Cc1nn(C)cc1Cl ZINC001308653152 991082479 /nfs/dbraw/zinc/08/24/79/991082479.db2.gz PUMNXABESGDHCN-UHFFFAOYSA-N 1 2 201.701 1.914 20 0 BDADLO CC(C)[N@@H+](C)Cc1nn(C)cc1Cl ZINC001308653152 991082488 /nfs/dbraw/zinc/08/24/88/991082488.db2.gz PUMNXABESGDHCN-UHFFFAOYSA-N 1 2 201.701 1.914 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)nn1C ZINC001138831242 991085327 /nfs/dbraw/zinc/08/53/27/991085327.db2.gz BGTIQTYQIWLJBN-LBPRGKRZSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@]23CCOC3)nn1C ZINC001138831242 991085337 /nfs/dbraw/zinc/08/53/37/991085337.db2.gz BGTIQTYQIWLJBN-LBPRGKRZSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1c[nH]c(C[NH+]2CCC3(CCOC3=O)CC2)n1 ZINC001138938574 991110471 /nfs/dbraw/zinc/11/04/71/991110471.db2.gz XNUTWGXZQMCMSB-UHFFFAOYSA-N 1 2 249.314 1.247 20 0 BDADLO CCc1cccc(NC(=O)NC2C[NH+](C)C2)c1 ZINC001202887365 991128936 /nfs/dbraw/zinc/12/89/36/991128936.db2.gz IZSCUDDKLKDICU-UHFFFAOYSA-N 1 2 233.315 1.685 20 0 BDADLO CSCC[C@H](C)N1CC[NH+](CCCO)CC1 ZINC001258215063 991137883 /nfs/dbraw/zinc/13/78/83/991137883.db2.gz LVZDSKARKAZMFV-LBPRGKRZSA-N 1 2 246.420 1.128 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(C)C2)nc1OC ZINC001139099764 991146941 /nfs/dbraw/zinc/14/69/41/991146941.db2.gz KNZPOTUPWOZJAC-UHFFFAOYSA-N 1 2 236.315 1.941 20 0 BDADLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2nonc2c1 ZINC001139221812 991196629 /nfs/dbraw/zinc/19/66/29/991196629.db2.gz AKYCTSYMHRSQPK-QWRGUYRKSA-N 1 2 244.298 1.111 20 0 BDADLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2nonc2c1 ZINC001139221812 991196634 /nfs/dbraw/zinc/19/66/34/991196634.db2.gz AKYCTSYMHRSQPK-QWRGUYRKSA-N 1 2 244.298 1.111 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnc(N)s2)CCC1=O ZINC001139226270 991199892 /nfs/dbraw/zinc/19/98/92/991199892.db2.gz YUECDHIDHBPBOH-QMMMGPOBSA-N 1 2 239.344 1.526 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnc(N)s2)CCC1=O ZINC001139226270 991199907 /nfs/dbraw/zinc/19/99/07/991199907.db2.gz YUECDHIDHBPBOH-QMMMGPOBSA-N 1 2 239.344 1.526 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCC[C@H](C)O)no1 ZINC001559731697 991235279 /nfs/dbraw/zinc/23/52/79/991235279.db2.gz UBRSFIWAILBLSB-YUMQZZPRSA-N 1 2 213.281 1.190 20 0 BDADLO CN(C)c1ccc(C[N@H+](C)C2(C)COC2)cn1 ZINC001139458872 991245346 /nfs/dbraw/zinc/24/53/46/991245346.db2.gz QYVYQQHVMBDDIK-UHFFFAOYSA-N 1 2 235.331 1.368 20 0 BDADLO CN(C)c1ccc(C[N@@H+](C)C2(C)COC2)cn1 ZINC001139458872 991245352 /nfs/dbraw/zinc/24/53/52/991245352.db2.gz QYVYQQHVMBDDIK-UHFFFAOYSA-N 1 2 235.331 1.368 20 0 BDADLO COC(=O)CC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001258366067 991307743 /nfs/dbraw/zinc/30/77/43/991307743.db2.gz JERYOQVGSBNYPA-GUBZILKMSA-N 1 2 235.274 1.710 20 0 BDADLO COC(=O)CC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001258366067 991307757 /nfs/dbraw/zinc/30/77/57/991307757.db2.gz JERYOQVGSBNYPA-GUBZILKMSA-N 1 2 235.274 1.710 20 0 BDADLO COc1nscc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001559962088 991342195 /nfs/dbraw/zinc/34/21/95/991342195.db2.gz WPFGDFNFVXJUCP-OCAPTIKFSA-N 1 2 246.282 1.849 20 0 BDADLO COc1nscc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001559962088 991342207 /nfs/dbraw/zinc/34/22/07/991342207.db2.gz WPFGDFNFVXJUCP-OCAPTIKFSA-N 1 2 246.282 1.849 20 0 BDADLO C[N@H+](Cc1cnc2cccnc2c1)C1(C)COC1 ZINC001139742451 991353304 /nfs/dbraw/zinc/35/33/04/991353304.db2.gz CARZHACGWLFAMY-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO C[N@@H+](Cc1cnc2cccnc2c1)C1(C)COC1 ZINC001139742451 991353313 /nfs/dbraw/zinc/35/33/13/991353313.db2.gz CARZHACGWLFAMY-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO CCCCC[C@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001258428251 991354798 /nfs/dbraw/zinc/35/47/98/991354798.db2.gz MOZNSAOUIZJEPL-WOPDTQHZSA-N 1 2 245.363 1.857 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001328691816 991396276 /nfs/dbraw/zinc/39/62/76/991396276.db2.gz WNAYIUFNADWOPZ-UDSFMNFJSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cn1 ZINC001139928931 991419045 /nfs/dbraw/zinc/41/90/45/991419045.db2.gz FWERPAHPAGZKRN-QWHCGFSZSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)cn1 ZINC001139928931 991419052 /nfs/dbraw/zinc/41/90/52/991419052.db2.gz FWERPAHPAGZKRN-QWHCGFSZSA-N 1 2 238.306 1.542 20 0 BDADLO C[C@@H](CC1CC1)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258467530 991430108 /nfs/dbraw/zinc/43/01/08/991430108.db2.gz HWYPOGBOOKATRR-WPRPVWTQSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H](CC1CC1)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258467530 991430112 /nfs/dbraw/zinc/43/01/12/991430112.db2.gz HWYPOGBOOKATRR-WPRPVWTQSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H](CC1CC1)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258467527 991431954 /nfs/dbraw/zinc/43/19/54/991431954.db2.gz HWYPOGBOOKATRR-PSASIEDQSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H](CC1CC1)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258467527 991431961 /nfs/dbraw/zinc/43/19/61/991431961.db2.gz HWYPOGBOOKATRR-PSASIEDQSA-N 1 2 219.275 1.877 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)CCO1 ZINC001560235764 991435330 /nfs/dbraw/zinc/43/53/30/991435330.db2.gz UZWYKJXLBYPTGA-QWRGUYRKSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+]([C@H]2CCOC2=O)CCO1 ZINC001560235764 991435335 /nfs/dbraw/zinc/43/53/35/991435335.db2.gz UZWYKJXLBYPTGA-QWRGUYRKSA-N 1 2 241.331 1.439 20 0 BDADLO c1cnnc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001139970917 991440451 /nfs/dbraw/zinc/44/04/51/991440451.db2.gz NAHZVRIWCQXXMM-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnnc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001139970917 991440454 /nfs/dbraw/zinc/44/04/54/991440454.db2.gz NAHZVRIWCQXXMM-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnnc2)CCCC1=O ZINC001139980710 991451387 /nfs/dbraw/zinc/45/13/87/991451387.db2.gz XJILHFWSXMHMEW-SNVBAGLBSA-N 1 2 219.288 1.278 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnnc2)CCCC1=O ZINC001139980710 991451393 /nfs/dbraw/zinc/45/13/93/991451393.db2.gz XJILHFWSXMHMEW-SNVBAGLBSA-N 1 2 219.288 1.278 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)nc2)CC[C@@H]1O ZINC001139988025 991469713 /nfs/dbraw/zinc/46/97/13/991469713.db2.gz MDKAEFNNTZXIRW-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)nc2)CC[C@@H]1O ZINC001139988025 991469714 /nfs/dbraw/zinc/46/97/14/991469714.db2.gz MDKAEFNNTZXIRW-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO CC[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001317241128 991476190 /nfs/dbraw/zinc/47/61/90/991476190.db2.gz IZJNTKIKQCLSDD-RITPCOANSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+][C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001317241128 991476191 /nfs/dbraw/zinc/47/61/91/991476191.db2.gz IZJNTKIKQCLSDD-RITPCOANSA-N 1 2 230.205 1.001 20 0 BDADLO Cn1c[nH+]cc1CNc1cnc2n[nH]cc2c1 ZINC001560608665 991511727 /nfs/dbraw/zinc/51/17/27/991511727.db2.gz YCKUDRXXPSBGQW-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NCC(F)(F)C(F)F ZINC001140082594 991514488 /nfs/dbraw/zinc/51/44/88/991514488.db2.gz DLTONFUBWDWODJ-ZCFIWIBFSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NCC(F)(F)C(F)F ZINC001140082594 991514500 /nfs/dbraw/zinc/51/45/00/991514500.db2.gz DLTONFUBWDWODJ-ZCFIWIBFSA-N 1 2 242.216 1.097 20 0 BDADLO CC[C@@H]1CCC[C@@H]([NH2+]Cc2nnc(CO)[nH]2)C1 ZINC001560626554 991531001 /nfs/dbraw/zinc/53/10/01/991531001.db2.gz RTCJSKCLYOMOFG-NXEZZACHSA-N 1 2 238.335 1.355 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cccc(F)n1)C2 ZINC001140130527 991534436 /nfs/dbraw/zinc/53/44/36/991534436.db2.gz PXEZTMRGXKMHEG-UHFFFAOYSA-N 1 2 222.263 1.177 20 0 BDADLO Oc1ccc(C[NH2+]Cc2ccno2)c(F)c1F ZINC001560740799 991581694 /nfs/dbraw/zinc/58/16/94/991581694.db2.gz CQAKJMGCZAZHQN-UHFFFAOYSA-N 1 2 240.209 1.948 20 0 BDADLO Cc1ccc2[nH]nc(C[NH+]3CC(CO)C3)c2c1 ZINC001140330470 991609478 /nfs/dbraw/zinc/60/94/78/991609478.db2.gz BJINJUDXGGCWAF-UHFFFAOYSA-N 1 2 231.299 1.295 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ncn1 ZINC001140350619 991626818 /nfs/dbraw/zinc/62/68/18/991626818.db2.gz NRBKOZMTHOOBTI-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CC2)ncn1 ZINC001140350619 991626821 /nfs/dbraw/zinc/62/68/21/991626821.db2.gz NRBKOZMTHOOBTI-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3n[nH]cc3c2)CCC1=O ZINC001140385182 991630093 /nfs/dbraw/zinc/63/00/93/991630093.db2.gz VXIJUBKWLSTHFW-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3n[nH]cc3c2)CCC1=O ZINC001140385182 991630097 /nfs/dbraw/zinc/63/00/97/991630097.db2.gz VXIJUBKWLSTHFW-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ncccc1F ZINC001560887307 991638012 /nfs/dbraw/zinc/63/80/12/991638012.db2.gz RGHGBSHYYZTACZ-SECBINFHSA-N 1 2 239.294 1.223 20 0 BDADLO O=C(NC1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001318315554 991645657 /nfs/dbraw/zinc/64/56/57/991645657.db2.gz OUUOHVFNTDDUER-NSHDSACASA-N 1 2 234.303 1.392 20 0 BDADLO CCn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001560912720 991649253 /nfs/dbraw/zinc/64/92/53/991649253.db2.gz MKJQEZDQOZYTAL-AOOOYVTPSA-N 1 2 227.258 1.600 20 0 BDADLO CCn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001560912720 991649257 /nfs/dbraw/zinc/64/92/57/991649257.db2.gz MKJQEZDQOZYTAL-AOOOYVTPSA-N 1 2 227.258 1.600 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC2(CCC2)C1 ZINC001140472552 991650913 /nfs/dbraw/zinc/65/09/13/991650913.db2.gz VJEIKZMDGGYWIZ-UHFFFAOYSA-N 1 2 235.287 1.264 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC2(CCC2)C1 ZINC001140472552 991650917 /nfs/dbraw/zinc/65/09/17/991650917.db2.gz VJEIKZMDGGYWIZ-UHFFFAOYSA-N 1 2 235.287 1.264 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001140472395 991652261 /nfs/dbraw/zinc/65/22/61/991652261.db2.gz OSFIZXDXNZZDDS-ONGXEEELSA-N 1 2 249.314 1.652 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001140472395 991652276 /nfs/dbraw/zinc/65/22/76/991652276.db2.gz OSFIZXDXNZZDDS-ONGXEEELSA-N 1 2 249.314 1.652 20 0 BDADLO Cn1cnc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)ccc21 ZINC001140508812 991658610 /nfs/dbraw/zinc/65/86/10/991658610.db2.gz WEZPIQYVWAVXFG-TXEJJXNPSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cnc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)ccc21 ZINC001140508812 991658616 /nfs/dbraw/zinc/65/86/16/991658616.db2.gz WEZPIQYVWAVXFG-TXEJJXNPSA-N 1 2 243.310 1.546 20 0 BDADLO CCOCCN(CC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318586677 991682365 /nfs/dbraw/zinc/68/23/65/991682365.db2.gz MFLHLEMJRSZDDR-NSHDSACASA-N 1 2 239.319 1.329 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258807241 991808077 /nfs/dbraw/zinc/80/80/77/991808077.db2.gz GNXXNKLDHRLOTF-NXEZZACHSA-N 1 2 211.305 1.860 20 0 BDADLO C[C@@H]1CCC[C@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258819457 991835400 /nfs/dbraw/zinc/83/54/00/991835400.db2.gz QZDGYEKPSQDGRJ-ZJUUUORDSA-N 1 2 201.285 1.581 20 0 BDADLO C[C@@H](CC(=O)N1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001566351361 991842537 /nfs/dbraw/zinc/84/25/37/991842537.db2.gz NCMHHKOAYUBECG-NSHDSACASA-N 1 2 233.315 1.847 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCS1 ZINC001566413585 991847714 /nfs/dbraw/zinc/84/77/14/991847714.db2.gz DEQRLUQLVBVQIV-VIFPVBQESA-N 1 2 239.344 1.272 20 0 BDADLO CCO/C=C/C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001566729141 991870125 /nfs/dbraw/zinc/87/01/25/991870125.db2.gz PTCMZUUPSBZCEV-CMDGGOBGSA-N 1 2 249.314 1.945 20 0 BDADLO C[C@@H](C(=O)Nc1cc(F)ccc1O)n1cc[nH+]c1 ZINC001319631833 991914144 /nfs/dbraw/zinc/91/41/44/991914144.db2.gz UGVQWIQEKFTHAU-QMMMGPOBSA-N 1 2 249.245 1.928 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)n1cccc1 ZINC001319701118 991941784 /nfs/dbraw/zinc/94/17/84/991941784.db2.gz KIAGDKRPXKEJAW-SNVBAGLBSA-N 1 2 232.287 1.131 20 0 BDADLO CC[N@@H+](Cc1ccccc1F)Cn1cnnc1 ZINC001319848649 992002577 /nfs/dbraw/zinc/00/25/77/992002577.db2.gz JQYPMDDHWKPIMT-UHFFFAOYSA-N 1 2 234.278 1.897 20 0 BDADLO CC[N@H+](Cc1ccccc1F)Cn1cnnc1 ZINC001319848649 992002586 /nfs/dbraw/zinc/00/25/86/992002586.db2.gz JQYPMDDHWKPIMT-UHFFFAOYSA-N 1 2 234.278 1.897 20 0 BDADLO CC(C)CC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001567781934 992087212 /nfs/dbraw/zinc/08/72/12/992087212.db2.gz NHGPIFDSYJJWSM-UHFFFAOYSA-N 1 2 242.363 1.258 20 0 BDADLO CCCC[NH+]1CC(NC(=O)C(=O)C(C)(C)C)C1 ZINC001567788734 992090373 /nfs/dbraw/zinc/09/03/73/992090373.db2.gz RILGOBDBGBIFTQ-UHFFFAOYSA-N 1 2 240.347 1.202 20 0 BDADLO CCCCCCC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001567815224 992098159 /nfs/dbraw/zinc/09/81/59/992098159.db2.gz GPPXALMLBQRPQR-LLVKDONJSA-N 1 2 242.363 1.138 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001261361197 992272043 /nfs/dbraw/zinc/27/20/43/992272043.db2.gz KZQCDIVZUZEAJU-ISUDXETCSA-N 1 2 245.326 1.528 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCc1ccncc1)C1CC1 ZINC001261504302 992354515 /nfs/dbraw/zinc/35/45/15/992354515.db2.gz CXULFSUOAVODOB-ZDUSSCGKSA-N 1 2 248.326 1.555 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001569350996 992369060 /nfs/dbraw/zinc/36/90/60/992369060.db2.gz ULUZVCGPRWNPJE-NEPJUHHUSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001569350996 992369069 /nfs/dbraw/zinc/36/90/69/992369069.db2.gz ULUZVCGPRWNPJE-NEPJUHHUSA-N 1 2 244.354 1.973 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C2CC2)ccn1 ZINC001569945024 992431950 /nfs/dbraw/zinc/43/19/50/992431950.db2.gz XFHDYNPYNWNBIF-LBPRGKRZSA-N 1 2 245.326 1.992 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C2CC2)ccn1 ZINC001569945024 992431960 /nfs/dbraw/zinc/43/19/60/992431960.db2.gz XFHDYNPYNWNBIF-LBPRGKRZSA-N 1 2 245.326 1.992 20 0 BDADLO CCn1ccnc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001570260030 992458564 /nfs/dbraw/zinc/45/85/64/992458564.db2.gz MTWHXNAKWMMGPC-VIFPVBQESA-N 1 2 233.275 1.299 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001321208359 992490800 /nfs/dbraw/zinc/49/08/00/992490800.db2.gz YIBUACUKEGJSTK-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001321208359 992490806 /nfs/dbraw/zinc/49/08/06/992490806.db2.gz YIBUACUKEGJSTK-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC001321296593 992511806 /nfs/dbraw/zinc/51/18/06/992511806.db2.gz QMMRHMBOGPRHGZ-RYUDHWBXSA-N 1 2 239.315 1.610 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC(C(=O)[O-])C1 ZINC001573407447 992613001 /nfs/dbraw/zinc/61/30/01/992613001.db2.gz SYVQAXQGQIFBRC-ILDUYXDCSA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC(C(=O)[O-])C1 ZINC001573407447 992613006 /nfs/dbraw/zinc/61/30/06/992613006.db2.gz SYVQAXQGQIFBRC-ILDUYXDCSA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001262115956 992684932 /nfs/dbraw/zinc/68/49/32/992684932.db2.gz RULBAERCGDASLC-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001262115956 992684939 /nfs/dbraw/zinc/68/49/39/992684939.db2.gz RULBAERCGDASLC-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO CC[C@H](C[NH2+][C@H]1CCC[N@H+](CC)C1)C(=O)[O-] ZINC001573805817 992718981 /nfs/dbraw/zinc/71/89/81/992718981.db2.gz ZNDMRLJJIJFIAA-MNOVXSKESA-N 1 2 228.336 1.171 20 0 BDADLO CC[C@H](C[NH2+][C@H]1CCC[N@@H+](CC)C1)C(=O)[O-] ZINC001573805817 992718995 /nfs/dbraw/zinc/71/89/95/992718995.db2.gz ZNDMRLJJIJFIAA-MNOVXSKESA-N 1 2 228.336 1.171 20 0 BDADLO CO[C@H]1C[NH2+][C@@H](C(=O)Oc2ccc(C)cc2)C1 ZINC001574001223 992795291 /nfs/dbraw/zinc/79/52/91/992795291.db2.gz VBZPLNRNNIUSNH-VXGBXAGGSA-N 1 2 235.283 1.277 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@H]1CCCC[C@@H]1O ZINC001262240856 992817114 /nfs/dbraw/zinc/81/71/14/992817114.db2.gz KZMAUUHHJMOZMU-ZJUUUORDSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@H]1CCCC[C@@H]1O ZINC001262240856 992817119 /nfs/dbraw/zinc/81/71/19/992817119.db2.gz KZMAUUHHJMOZMU-ZJUUUORDSA-N 1 2 241.360 1.521 20 0 BDADLO COC[C@H]1CN(c2cc(F)cc(C)[nH+]2)CCO1 ZINC001262684157 993023252 /nfs/dbraw/zinc/02/32/52/993023252.db2.gz KOQJVEHEYCRRDP-LLVKDONJSA-N 1 2 240.278 1.381 20 0 BDADLO CCc1ccc(N2C[C@H](O)C[C@H](C)C2)[nH+]c1 ZINC001262699713 993040720 /nfs/dbraw/zinc/04/07/20/993040720.db2.gz JGXYTGUYVRZDCE-CMPLNLGQSA-N 1 2 220.316 1.851 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C1CCOCC1 ZINC001262805669 993068993 /nfs/dbraw/zinc/06/89/93/993068993.db2.gz YQQWXZLZYVMUBF-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO CCOc1ccc[nH+]c1NCCCn1cncn1 ZINC000381204156 993379647 /nfs/dbraw/zinc/37/96/47/993379647.db2.gz NBBNYUWHKNIZLG-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@]1(F)CCOC1 ZINC001263663017 993454959 /nfs/dbraw/zinc/45/49/59/993454959.db2.gz REULVIPGRDHKTE-LLVKDONJSA-N 1 2 242.250 1.075 20 0 BDADLO C[N@H+](Cc1c(F)ccc(N)c1F)[C@H]1CCOC1 ZINC000383613569 993502191 /nfs/dbraw/zinc/50/21/91/993502191.db2.gz TUQRTEYJIDCVID-QMMMGPOBSA-N 1 2 242.269 1.768 20 0 BDADLO C[N@@H+](Cc1c(F)ccc(N)c1F)[C@H]1CCOC1 ZINC000383613569 993502206 /nfs/dbraw/zinc/50/22/06/993502206.db2.gz TUQRTEYJIDCVID-QMMMGPOBSA-N 1 2 242.269 1.768 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc(F)ccc2F)C1 ZINC000384003988 993534755 /nfs/dbraw/zinc/53/47/55/993534755.db2.gz OXTVWSHDVDQRGN-SNVBAGLBSA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc(F)ccc2F)C1 ZINC000384003988 993534763 /nfs/dbraw/zinc/53/47/63/993534763.db2.gz OXTVWSHDVDQRGN-SNVBAGLBSA-N 1 2 243.253 1.674 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001263841202 993548430 /nfs/dbraw/zinc/54/84/30/993548430.db2.gz DNXHKJHIIIYLOE-WDEREUQCSA-N 1 2 235.331 1.513 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001263924566 993606221 /nfs/dbraw/zinc/60/62/21/993606221.db2.gz ZUAYIFBMOHCBFZ-ZWNOBZJWSA-N 1 2 233.315 1.269 20 0 BDADLO CN(C)c1ccc(Nc2nnccc2C#N)c[nH+]1 ZINC000387167245 993701494 /nfs/dbraw/zinc/70/14/94/993701494.db2.gz ALOBGOGTQIRIHT-UHFFFAOYSA-N 1 2 240.270 1.553 20 0 BDADLO CC[C@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CCF ZINC001265651590 993890284 /nfs/dbraw/zinc/89/02/84/993890284.db2.gz MRVWEXIUYXIDOS-MNOVXSKESA-N 1 2 248.317 1.675 20 0 BDADLO CC[C@H](F)C(=O)NC[C@H]1CCCC[N@H+]1CCF ZINC001265651590 993890286 /nfs/dbraw/zinc/89/02/86/993890286.db2.gz MRVWEXIUYXIDOS-MNOVXSKESA-N 1 2 248.317 1.675 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@H]1CC12CCCCC2)C(F)F ZINC000724704526 994070238 /nfs/dbraw/zinc/07/02/38/994070238.db2.gz TXSJVMNGMLFGEJ-IUCAKERBSA-N 1 2 246.301 1.808 20 0 BDADLO CCc1[nH]c(CNc2nc(C)cc(OC)n2)c[nH+]1 ZINC001307219644 994840355 /nfs/dbraw/zinc/84/03/55/994840355.db2.gz VDXQWEUTJIIGPI-UHFFFAOYSA-N 1 2 247.302 1.691 20 0 BDADLO CCc1[nH]cc(CNc2nc(C)cc(OC)n2)[nH+]1 ZINC001307219644 994840368 /nfs/dbraw/zinc/84/03/68/994840368.db2.gz VDXQWEUTJIIGPI-UHFFFAOYSA-N 1 2 247.302 1.691 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC/C=C/c1cccnc1 ZINC001298673859 994948136 /nfs/dbraw/zinc/94/81/36/994948136.db2.gz QHPYTXSGFQYTLJ-DUXPYHPUSA-N 1 2 242.282 1.108 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@]12C[C@H]1CCC2 ZINC001303937216 995178673 /nfs/dbraw/zinc/17/86/73/995178673.db2.gz SJWJEDLGFJWLKD-RISCZKNCSA-N 1 2 247.342 1.659 20 0 BDADLO C/C=C\[C@@H](O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304107740 995188845 /nfs/dbraw/zinc/18/88/45/995188845.db2.gz KUIWAPAKIUHHAJ-UMCURTJPSA-N 1 2 237.303 1.086 20 0 BDADLO C/C=C\[C@@H](O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304107740 995188850 /nfs/dbraw/zinc/18/88/50/995188850.db2.gz KUIWAPAKIUHHAJ-UMCURTJPSA-N 1 2 237.303 1.086 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H]1Cc1ccc(OC)cc1 ZINC001307525454 995395294 /nfs/dbraw/zinc/39/52/94/995395294.db2.gz GCSHUUFIQBIGNY-GFCCVEGCSA-N 1 2 249.310 1.485 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H]1Cc1ccc(OC)cc1 ZINC001307525454 995395305 /nfs/dbraw/zinc/39/53/05/995395305.db2.gz GCSHUUFIQBIGNY-GFCCVEGCSA-N 1 2 249.310 1.485 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001307724421 995445832 /nfs/dbraw/zinc/44/58/32/995445832.db2.gz PIGGENJHIVOQBB-LDYMZIIASA-N 1 2 239.344 1.446 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001307724421 995445836 /nfs/dbraw/zinc/44/58/36/995445836.db2.gz PIGGENJHIVOQBB-LDYMZIIASA-N 1 2 239.344 1.446 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@](O)(C(F)F)C2)o1 ZINC001307780288 995459389 /nfs/dbraw/zinc/45/93/89/995459389.db2.gz QGABLROMEJDNOG-GZMMTYOYSA-N 1 2 246.257 1.746 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@](O)(C(F)F)C2)o1 ZINC001307780288 995459395 /nfs/dbraw/zinc/45/93/95/995459395.db2.gz QGABLROMEJDNOG-GZMMTYOYSA-N 1 2 246.257 1.746 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1ncccn1 ZINC001308036931 995529705 /nfs/dbraw/zinc/52/97/05/995529705.db2.gz VZIQHBLLSBATST-GFCCVEGCSA-N 1 2 237.347 1.970 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1ncccn1 ZINC001308036931 995529714 /nfs/dbraw/zinc/52/97/14/995529714.db2.gz VZIQHBLLSBATST-GFCCVEGCSA-N 1 2 237.347 1.970 20 0 BDADLO CCCC[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000182657478 346808321 /nfs/dbraw/zinc/80/83/21/346808321.db2.gz CAIMNMYZBHRTEJ-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320142 398143449 /nfs/dbraw/zinc/14/34/49/398143449.db2.gz FUIZQKGDOIDAGK-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320142 398143453 /nfs/dbraw/zinc/14/34/53/398143453.db2.gz FUIZQKGDOIDAGK-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccn1 ZINC000602170732 349468215 /nfs/dbraw/zinc/46/82/15/349468215.db2.gz BQESOQWBEKQEHB-UHFFFAOYSA-N 1 2 244.298 1.427 20 0 BDADLO c1cn(CCN2CC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000161566214 349473813 /nfs/dbraw/zinc/47/38/13/349473813.db2.gz NOAQIDNFVQQNOD-ZDUSSCGKSA-N 1 2 234.347 1.053 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161577406 349475857 /nfs/dbraw/zinc/47/58/57/349475857.db2.gz BNFAQRLRWFJOCB-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000297843079 398146665 /nfs/dbraw/zinc/14/66/65/398146665.db2.gz SDYXIWVGZZHFMN-MNOVXSKESA-N 1 2 249.314 1.673 20 0 BDADLO CCC(CC)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000037957184 168330977 /nfs/dbraw/zinc/33/09/77/168330977.db2.gz GKOAYKJNXQRLRT-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1cc(CNC[C@@H](c2ccco2)[NH+](C)C)no1 ZINC000357013986 178022291 /nfs/dbraw/zinc/02/22/91/178022291.db2.gz WBYFQKZHQMSPPJ-LBPRGKRZSA-N 1 2 249.314 1.969 20 0 BDADLO CC(=O)CCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000337499767 187324747 /nfs/dbraw/zinc/32/47/47/187324747.db2.gz LCJOMVOTLOHANL-LLVKDONJSA-N 1 2 249.314 1.105 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000649870786 398158868 /nfs/dbraw/zinc/15/88/68/398158868.db2.gz JNXXFZWWSPIOBV-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000649870786 398158871 /nfs/dbraw/zinc/15/88/71/398158871.db2.gz JNXXFZWWSPIOBV-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO Cn1cc[nH+]c1CSc1nncn1C1CC1 ZINC000059337947 349498610 /nfs/dbraw/zinc/49/86/10/349498610.db2.gz YOZQAAWWDQXDAX-UHFFFAOYSA-N 1 2 235.316 1.639 20 0 BDADLO CCCCOCC[N@@H+]1CC(=O)NCC1(C)C ZINC000337422271 187324572 /nfs/dbraw/zinc/32/45/72/187324572.db2.gz RIGAAPFJNVPJHL-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCOCC[N@H+]1CC(=O)NCC1(C)C ZINC000337422271 187324575 /nfs/dbraw/zinc/32/45/75/187324575.db2.gz RIGAAPFJNVPJHL-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000389950077 398150972 /nfs/dbraw/zinc/15/09/72/398150972.db2.gz WTUVWKUBXSYTEC-RQJHMYQMSA-N 1 2 229.292 1.053 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cs1 ZINC000335550906 178007280 /nfs/dbraw/zinc/00/72/80/178007280.db2.gz HKZQBHKMRSIFCS-CABZTGNLSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cs1 ZINC000335550906 178007281 /nfs/dbraw/zinc/00/72/81/178007281.db2.gz HKZQBHKMRSIFCS-CABZTGNLSA-N 1 2 241.356 1.638 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000649871135 398153419 /nfs/dbraw/zinc/15/34/19/398153419.db2.gz SNECFSFAGGGQFF-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000649871135 398153420 /nfs/dbraw/zinc/15/34/20/398153420.db2.gz SNECFSFAGGGQFF-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)[C@@H](C)CCO ZINC000649869749 398155112 /nfs/dbraw/zinc/15/51/12/398155112.db2.gz LKISENXJLMVKKN-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H](C)CCO ZINC000649869749 398155117 /nfs/dbraw/zinc/15/51/17/398155117.db2.gz LKISENXJLMVKKN-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCC(=O)C2)cc(C)[nH+]1 ZINC000335635384 178014969 /nfs/dbraw/zinc/01/49/69/178014969.db2.gz VEAQKABZVFASSG-LBPRGKRZSA-N 1 2 246.310 1.684 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)[C@H](C)CCO ZINC000649869892 398156469 /nfs/dbraw/zinc/15/64/69/398156469.db2.gz OPIACBQGUIVOTL-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@H](C)CCO ZINC000649869892 398156473 /nfs/dbraw/zinc/15/64/73/398156473.db2.gz OPIACBQGUIVOTL-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CCn1cc[nH+]c1CN[C@@H](C)C(F)F ZINC000385570537 398168715 /nfs/dbraw/zinc/16/87/15/398168715.db2.gz ZQUJPYGNRXFWNQ-ZETCQYMHSA-N 1 2 203.236 1.646 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000649899445 398169758 /nfs/dbraw/zinc/16/97/58/398169758.db2.gz GAYLIZPTTNNYDI-SNVBAGLBSA-N 1 2 243.257 1.863 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000649899445 398169760 /nfs/dbraw/zinc/16/97/60/398169760.db2.gz GAYLIZPTTNNYDI-SNVBAGLBSA-N 1 2 243.257 1.863 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C)nc1 ZINC000649897033 398169797 /nfs/dbraw/zinc/16/97/97/398169797.db2.gz HBTFRGKIOROZRX-LLVKDONJSA-N 1 2 235.331 1.299 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C)nc1 ZINC000649897033 398169798 /nfs/dbraw/zinc/16/97/98/398169798.db2.gz HBTFRGKIOROZRX-LLVKDONJSA-N 1 2 235.331 1.299 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)no1 ZINC000044424633 178028441 /nfs/dbraw/zinc/02/84/41/178028441.db2.gz KFOMWZVFXYCIQV-VIFPVBQESA-N 1 2 239.319 1.376 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)ccn1 ZINC000527537516 398171762 /nfs/dbraw/zinc/17/17/62/398171762.db2.gz CNASDJJVFKQLNZ-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)ccn1 ZINC000527537516 398171765 /nfs/dbraw/zinc/17/17/65/398171765.db2.gz CNASDJJVFKQLNZ-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccnc(C)c1 ZINC000527537437 398172020 /nfs/dbraw/zinc/17/20/20/398172020.db2.gz CABKVDLZEQQRGK-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccnc(C)c1 ZINC000527537437 398172025 /nfs/dbraw/zinc/17/20/25/398172025.db2.gz CABKVDLZEQQRGK-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1(C(F)F)CC1 ZINC000558648566 398183404 /nfs/dbraw/zinc/18/34/04/398183404.db2.gz AASQXRAZGTUFFS-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1(C(F)F)CC1 ZINC000558648566 398183411 /nfs/dbraw/zinc/18/34/11/398183411.db2.gz AASQXRAZGTUFFS-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO Cc1cc(C[NH2+][C@H](CO)c2ccsc2)no1 ZINC000336731006 178038458 /nfs/dbraw/zinc/03/84/58/178038458.db2.gz IPZSNAHHHJDBTG-LLVKDONJSA-N 1 2 238.312 1.868 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(c1)CCO2 ZINC000078780101 398176592 /nfs/dbraw/zinc/17/65/92/398176592.db2.gz CJZNQJKHLXBFEZ-UHFFFAOYSA-N 1 2 229.283 1.967 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000277792459 398178268 /nfs/dbraw/zinc/17/82/68/398178268.db2.gz MUOJLMATGFJNKL-AIYRYJHASA-N 1 2 242.710 1.451 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000277792459 398178272 /nfs/dbraw/zinc/17/82/72/398178272.db2.gz MUOJLMATGFJNKL-AIYRYJHASA-N 1 2 242.710 1.451 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000277900631 398179819 /nfs/dbraw/zinc/17/98/19/398179819.db2.gz UKBWIXGYJDVCOE-NTSWFWBYSA-N 1 2 230.699 1.548 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000277900631 398179820 /nfs/dbraw/zinc/17/98/20/398179820.db2.gz UKBWIXGYJDVCOE-NTSWFWBYSA-N 1 2 230.699 1.548 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000649883305 398162395 /nfs/dbraw/zinc/16/23/95/398162395.db2.gz PPJFPWJAEMOPNU-TZMCWYRMSA-N 1 2 247.342 1.902 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1[C@@H]1C=CCCC1 ZINC000649883305 398162401 /nfs/dbraw/zinc/16/24/01/398162401.db2.gz PPJFPWJAEMOPNU-TZMCWYRMSA-N 1 2 247.342 1.902 20 0 BDADLO CC(C)c1cc(N[C@H](C)C[S@@](C)=O)nc[nH+]1 ZINC000164214461 398164457 /nfs/dbraw/zinc/16/44/57/398164457.db2.gz WVIXVYPSWLBIAQ-ABKXIKBNSA-N 1 2 241.360 1.779 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628120559 398166858 /nfs/dbraw/zinc/16/68/58/398166858.db2.gz SLWBAXINLBTWBZ-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628120559 398166861 /nfs/dbraw/zinc/16/68/61/398166861.db2.gz SLWBAXINLBTWBZ-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO CC[C@](C)([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000336683079 398186421 /nfs/dbraw/zinc/18/64/21/398186421.db2.gz DLTRZHHGCRIEDI-PWSUYJOCSA-N 1 2 229.320 1.487 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000336683078 398186579 /nfs/dbraw/zinc/18/65/79/398186579.db2.gz DLTRZHHGCRIEDI-JQWIXIFHSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1CC[C@H](C)O1 ZINC000188527016 346818846 /nfs/dbraw/zinc/81/88/46/346818846.db2.gz AXEJFJLHZAGWET-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CC[C@H](C)O1 ZINC000188527016 346818852 /nfs/dbraw/zinc/81/88/52/346818852.db2.gz AXEJFJLHZAGWET-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cc(F)ccc1C[NH2+]CC(F)(F)CO ZINC000183873319 178085931 /nfs/dbraw/zinc/08/59/31/178085931.db2.gz ZKODRKIYTRHXIN-UHFFFAOYSA-N 1 2 233.233 1.851 20 0 BDADLO CCc1cc(NCc2nnc(C(C)C)[nH]2)nc[nH+]1 ZINC000649398140 398199714 /nfs/dbraw/zinc/19/97/14/398199714.db2.gz VMDWANVHBOCSJD-UHFFFAOYSA-N 1 2 246.318 1.315 20 0 BDADLO Cc1cc(N(C)CC2(O)CCC2)nc[nH+]1 ZINC000353294500 178096955 /nfs/dbraw/zinc/09/69/55/178096955.db2.gz RRIKSEJEZPLJGX-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO Cc1cc(N(C)[C@H]2CCNC2=O)nc(C(C)C)[nH+]1 ZINC000340077168 178102057 /nfs/dbraw/zinc/10/20/57/178102057.db2.gz RSJWTBYOJYOXGM-JTQLQIEISA-N 1 2 248.330 1.233 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)s1 ZINC000649951034 398195274 /nfs/dbraw/zinc/19/52/74/398195274.db2.gz DMEJTDGHATUVHC-IUCAKERBSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](O)[C@@H]2C)s1 ZINC000649951034 398195275 /nfs/dbraw/zinc/19/52/75/398195275.db2.gz DMEJTDGHATUVHC-IUCAKERBSA-N 1 2 241.360 1.446 20 0 BDADLO Cc1cc(N)nc(SC[C@@](C)(O)C(C)C)[nH+]1 ZINC000165666414 178109708 /nfs/dbraw/zinc/10/97/08/178109708.db2.gz NITHYAGGJNRXMS-LLVKDONJSA-N 1 2 241.360 1.866 20 0 BDADLO Cc1cc(N)nc(SCCc2cnn(C)c2)[nH+]1 ZINC000172492423 178110028 /nfs/dbraw/zinc/11/00/28/178110028.db2.gz APYNGIIUYJTKRH-UHFFFAOYSA-N 1 2 249.343 1.436 20 0 BDADLO Cc1cc(N2CC[C@H](C(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000301073520 178119861 /nfs/dbraw/zinc/11/98/61/178119861.db2.gz FHUSPYOPAGSGHX-JTQLQIEISA-N 1 2 248.330 1.220 20 0 BDADLO CC(C)CNC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000162916985 538925475 /nfs/dbraw/zinc/92/54/75/538925475.db2.gz BLSPPAJXRLLMSQ-VIFPVBQESA-N 1 2 241.360 1.566 20 0 BDADLO Cc1cc(NC(=O)COCC2CC2)cc[nH+]1 ZINC000078349849 178132158 /nfs/dbraw/zinc/13/21/58/178132158.db2.gz PESUVEFARLCWNM-UHFFFAOYSA-N 1 2 220.272 1.755 20 0 BDADLO Cc1cc(NC(=O)NCC2CC2)cc[nH+]1 ZINC000271179979 178139242 /nfs/dbraw/zinc/13/92/42/178139242.db2.gz ZWLYLDNAZIYZQI-UHFFFAOYSA-N 1 2 205.261 1.922 20 0 BDADLO Cc1cc(NC(=O)N(C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000119339308 178135727 /nfs/dbraw/zinc/13/57/27/178135727.db2.gz GSTXWARKRICDNE-NSHDSACASA-N 1 2 249.314 1.890 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@H](C)CO)cc[nH+]1 ZINC000284958589 178135859 /nfs/dbraw/zinc/13/58/59/178135859.db2.gz WNWLGPGSOXUJNC-SECBINFHSA-N 1 2 223.276 1.235 20 0 BDADLO Cc1cc(NC(=O)NCCn2cc[nH+]c2)ccn1 ZINC000119673134 178138377 /nfs/dbraw/zinc/13/83/77/178138377.db2.gz VNFYYRBNCIBDFP-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO CO[C@@H]1CC[N@H+](CC(F)F)CC1(C)C ZINC000650002779 398214769 /nfs/dbraw/zinc/21/47/69/398214769.db2.gz MANLZGFCWLKTFI-MRVPVSSYSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@@H]1CC[N@@H+](CC(F)F)CC1(C)C ZINC000650002779 398214772 /nfs/dbraw/zinc/21/47/72/398214772.db2.gz MANLZGFCWLKTFI-MRVPVSSYSA-N 1 2 207.264 1.998 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000310153018 136220445 /nfs/dbraw/zinc/22/04/45/136220445.db2.gz NNUWYYMXKKMMGI-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCOC2)cc[nH+]1 ZINC000171289967 178145211 /nfs/dbraw/zinc/14/52/11/178145211.db2.gz OKIALIMVEVVBCL-SNVBAGLBSA-N 1 2 220.272 1.755 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)on1 ZINC000293403656 178146776 /nfs/dbraw/zinc/14/67/76/178146776.db2.gz LTHNQHBOQCOFDQ-JEZHCXPESA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)on1 ZINC000293403656 178146778 /nfs/dbraw/zinc/14/67/78/178146778.db2.gz LTHNQHBOQCOFDQ-JEZHCXPESA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(NC2(CO)CCC2)nc(C2CC2)[nH+]1 ZINC000268975669 178153904 /nfs/dbraw/zinc/15/39/04/178153904.db2.gz PQIWHFUIYSSRPQ-UHFFFAOYSA-N 1 2 233.315 1.989 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)[C@H]1C ZINC000339580972 187329703 /nfs/dbraw/zinc/32/97/03/187329703.db2.gz MQLOMQRKIONBNO-SFYZADRCSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)[C@H]1C ZINC000339580972 187329705 /nfs/dbraw/zinc/32/97/05/187329705.db2.gz MQLOMQRKIONBNO-SFYZADRCSA-N 1 2 238.253 1.347 20 0 BDADLO Cc1cc(NC[C@@H]2CCSC2)nc[nH+]1 ZINC000228584299 178167166 /nfs/dbraw/zinc/16/71/66/178167166.db2.gz IUJQHKZMUFZXFO-VIFPVBQESA-N 1 2 209.318 1.950 20 0 BDADLO Cc1cc(NC[C@@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000235904043 178167835 /nfs/dbraw/zinc/16/78/35/178167835.db2.gz ZYTPWLUSFGEIAW-ZJUUUORDSA-N 1 2 207.277 1.358 20 0 BDADLO COc1ccc(CC[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000263931309 187331265 /nfs/dbraw/zinc/33/12/65/187331265.db2.gz XYNHTCTZRULRSE-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccc(CC[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000263931309 187331266 /nfs/dbraw/zinc/33/12/66/187331266.db2.gz XYNHTCTZRULRSE-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO Cc1cc(N[C@@H](C)CCO)nc(C2CC2)[nH+]1 ZINC000150868137 178178105 /nfs/dbraw/zinc/17/81/05/178178105.db2.gz PSDNZDABCZGZBR-QMMMGPOBSA-N 1 2 221.304 1.845 20 0 BDADLO C[C@H](NC1(C(F)F)CC1)c1[nH+]ccn1C ZINC000336767049 398222493 /nfs/dbraw/zinc/22/24/93/398222493.db2.gz STZOFCISVVFLLP-ZETCQYMHSA-N 1 2 215.247 1.868 20 0 BDADLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000049235895 178179063 /nfs/dbraw/zinc/17/90/63/178179063.db2.gz GHUCKAUVSRAPHX-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO Cc1cc(N[C@@H](CO)C(C)(C)C)nc[nH+]1 ZINC000309213576 178180025 /nfs/dbraw/zinc/18/00/25/178180025.db2.gz TXBCOVQLKSZCIP-VIFPVBQESA-N 1 2 209.293 1.604 20 0 BDADLO CC(C)C1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000576422446 365592483 /nfs/dbraw/zinc/59/24/83/365592483.db2.gz GZKITZQASQTLQX-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO Cc1cc(N[C@H](CO)CC(F)(F)F)nc[nH+]1 ZINC000336747311 178186934 /nfs/dbraw/zinc/18/69/34/178186934.db2.gz XGFDFAXXHDMMNS-ZETCQYMHSA-N 1 2 235.209 1.510 20 0 BDADLO C[C@H]1CC=CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000342432035 136223056 /nfs/dbraw/zinc/22/30/56/136223056.db2.gz SAHVQDOCDJFPKN-STQMWFEESA-N 1 2 247.342 1.992 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@]3(CCOC3)C2)nc[nH+]1 ZINC000329102064 178190867 /nfs/dbraw/zinc/19/08/67/178190867.db2.gz FKFGLKKPDOCUPC-WCQYABFASA-N 1 2 249.314 1.535 20 0 BDADLO Cc1cc(N[C@](C)(CO)C2CC2)nc[nH+]1 ZINC000301733628 178191690 /nfs/dbraw/zinc/19/16/90/178191690.db2.gz AJKOARQNWZNARE-LLVKDONJSA-N 1 2 207.277 1.358 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N(CC(F)F)C1CC1 ZINC000276477335 538932118 /nfs/dbraw/zinc/93/21/18/538932118.db2.gz RNDIMMUBRWJMPC-UHFFFAOYSA-N 1 2 243.257 1.598 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N(CC(F)F)C1CC1 ZINC000276477335 538932120 /nfs/dbraw/zinc/93/21/20/538932120.db2.gz RNDIMMUBRWJMPC-UHFFFAOYSA-N 1 2 243.257 1.598 20 0 BDADLO O=C1NCC[N@H+](CC2CC2)[C@H]1c1cccs1 ZINC000334444804 136225704 /nfs/dbraw/zinc/22/57/04/136225704.db2.gz HOXYQCHHRAFGCP-NSHDSACASA-N 1 2 236.340 1.631 20 0 BDADLO O=C1NCC[N@@H+](CC2CC2)[C@H]1c1cccs1 ZINC000334444804 136225705 /nfs/dbraw/zinc/22/57/05/136225705.db2.gz HOXYQCHHRAFGCP-NSHDSACASA-N 1 2 236.340 1.631 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CO[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000132969456 398232216 /nfs/dbraw/zinc/23/22/16/398232216.db2.gz MLUCAFLYKUJXIP-AEJSXWLSSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1c(Cl)c(C[NH2+][C@H](C)CF)nn1C ZINC000421360396 192332215 /nfs/dbraw/zinc/33/22/15/192332215.db2.gz ZLDBRDYAIMLRTP-ZCFIWIBFSA-N 1 2 219.691 1.830 20 0 BDADLO Cc1cc([C@@H](C)NCC[NH+]2CCC2)no1 ZINC000336758449 178223925 /nfs/dbraw/zinc/22/39/25/178223925.db2.gz KOZGOJBGGCLZRK-SNVBAGLBSA-N 1 2 209.293 1.339 20 0 BDADLO C[C@H]([NH2+]Cc1cncs1)c1nccn1C ZINC000164652093 538934113 /nfs/dbraw/zinc/93/41/13/538934113.db2.gz HNAWDNVGMBIKEW-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CCC[C@@H](C[N@H+](C)CC(=O)OCC)OC ZINC000602439438 349526345 /nfs/dbraw/zinc/52/63/45/349526345.db2.gz CVOHKVDDPSSPQX-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CCC[C@@H](C[N@@H+](C)CC(=O)OCC)OC ZINC000602439438 349526348 /nfs/dbraw/zinc/52/63/48/349526348.db2.gz CVOHKVDDPSSPQX-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](OC)[C@@H](C)CC ZINC000602439603 349526442 /nfs/dbraw/zinc/52/64/42/349526442.db2.gz GFRLSCLJBIZFBG-QWRGUYRKSA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](OC)[C@@H](C)CC ZINC000602439603 349526443 /nfs/dbraw/zinc/52/64/43/349526443.db2.gz GFRLSCLJBIZFBG-QWRGUYRKSA-N 1 2 231.336 1.542 20 0 BDADLO Cc1c[nH+]cc(N[C@@H]2CCC(=O)NC2(C)C)c1 ZINC000334494227 136225875 /nfs/dbraw/zinc/22/58/75/136225875.db2.gz BRPOISGQXUHHFB-LLVKDONJSA-N 1 2 233.315 1.859 20 0 BDADLO c1nnc2n1CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000266936188 187332776 /nfs/dbraw/zinc/33/27/76/187332776.db2.gz UZDOBFZYKJUJFY-JTQLQIEISA-N 1 2 204.277 1.202 20 0 BDADLO c1nnc2n1CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000266936188 187332778 /nfs/dbraw/zinc/33/27/78/187332778.db2.gz UZDOBFZYKJUJFY-JTQLQIEISA-N 1 2 204.277 1.202 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H]2CCC[C@@H]21 ZINC000280619767 538937605 /nfs/dbraw/zinc/93/76/05/538937605.db2.gz PJQDGZLHEZTIBD-RYUDHWBXSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H]2CCC[C@@H]21 ZINC000280619767 538937607 /nfs/dbraw/zinc/93/76/07/538937607.db2.gz PJQDGZLHEZTIBD-RYUDHWBXSA-N 1 2 249.314 1.122 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)CC(=O)OC)OC ZINC000602441421 349527306 /nfs/dbraw/zinc/52/73/06/349527306.db2.gz FYPDVFMFYVRZMZ-VHSXEESVSA-N 1 2 217.309 1.152 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)CC(=O)OC)OC ZINC000602441421 349527307 /nfs/dbraw/zinc/52/73/07/349527307.db2.gz FYPDVFMFYVRZMZ-VHSXEESVSA-N 1 2 217.309 1.152 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cnn(C)c2)nn1C ZINC000337363556 178252407 /nfs/dbraw/zinc/25/24/07/178252407.db2.gz AJTSFRBLFQDCHU-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)no1 ZINC000336618851 178256206 /nfs/dbraw/zinc/25/62/06/178256206.db2.gz FDLYJCZRAWJRRR-GXSJLCMTSA-N 1 2 246.314 1.914 20 0 BDADLO C[C@@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000157343177 398237277 /nfs/dbraw/zinc/23/72/77/398237277.db2.gz YSQQIYJVVRCHTR-QMMMGPOBSA-N 1 2 205.261 1.033 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCSC1 ZINC000281189632 538938754 /nfs/dbraw/zinc/93/87/54/538938754.db2.gz MMRBWVGCXQQAAI-JTQLQIEISA-N 1 2 239.344 1.306 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCSC1 ZINC000281189632 538938756 /nfs/dbraw/zinc/93/87/56/538938756.db2.gz MMRBWVGCXQQAAI-JTQLQIEISA-N 1 2 239.344 1.306 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000093157608 398241622 /nfs/dbraw/zinc/24/16/22/398241622.db2.gz YAVSEEQXSLVEEA-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ncccc1C ZINC000093157608 398241625 /nfs/dbraw/zinc/24/16/25/398241625.db2.gz YAVSEEQXSLVEEA-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cccc(CCSCC(N)=O)[nH+]1 ZINC000576464367 365602395 /nfs/dbraw/zinc/60/23/95/365602395.db2.gz HTFQZBGUEITQOI-UHFFFAOYSA-N 1 2 210.302 1.151 20 0 BDADLO CC[C@H](O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631281633 349530471 /nfs/dbraw/zinc/53/04/71/349530471.db2.gz GSBWFMLLDBBERH-VIFPVBQESA-N 1 2 246.314 1.440 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N(C)CCO ZINC000063106467 178299071 /nfs/dbraw/zinc/29/90/71/178299071.db2.gz QCGZCGTXOBROJJ-UHFFFAOYSA-N 1 2 216.284 1.972 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N1CC(O)C1 ZINC000070838773 178299385 /nfs/dbraw/zinc/29/93/85/178299385.db2.gz KCBDUUMNOXYTEC-UHFFFAOYSA-N 1 2 214.268 1.724 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1c(F)cncc1F)C(N)=O ZINC000285636422 538942005 /nfs/dbraw/zinc/94/20/05/538942005.db2.gz KZSPQUGKOSMCJC-MUWHJKNJSA-N 1 2 243.257 1.274 20 0 BDADLO Cc1cc[nH+]c(NCCC[S@@](C)=O)c1Cl ZINC000336735451 178308349 /nfs/dbraw/zinc/30/83/49/178308349.db2.gz OGDWHBKJVKCBLE-OAHLLOKOSA-N 1 2 246.763 1.646 20 0 BDADLO Cc1cc[nH]c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290937242 178311628 /nfs/dbraw/zinc/31/16/28/178311628.db2.gz NRKBKLRGOFGLDK-UHFFFAOYSA-N 1 2 230.271 1.176 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H](C1CC1)C1CCC1 ZINC000457235338 398251626 /nfs/dbraw/zinc/25/16/26/398251626.db2.gz IDPKCASJWNVCNF-CQSZACIVSA-N 1 2 247.342 1.968 20 0 BDADLO COc1ncc(C[NH2+]Cc2cc(C)on2)s1 ZINC000380798200 398251923 /nfs/dbraw/zinc/25/19/23/398251923.db2.gz GWICXIQCPHVSSQ-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO COc1nc(C)nc(N(C)Cc2[nH]cc[nH+]2)c1C ZINC000428114760 398256423 /nfs/dbraw/zinc/25/64/23/398256423.db2.gz DPNINXIBIPTRHX-UHFFFAOYSA-N 1 2 247.302 1.462 20 0 BDADLO CN(C(=O)NCc1c[nH+]cn1C)C1CCCC1 ZINC000290047831 538946122 /nfs/dbraw/zinc/94/61/22/538946122.db2.gz BCEZNKORCBAJIS-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC1CCCC1 ZINC000291382043 538947429 /nfs/dbraw/zinc/94/74/29/538947429.db2.gz HCJWKGVJSAHGSU-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO COCCC[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291491706 538948212 /nfs/dbraw/zinc/94/82/12/538948212.db2.gz RFLCITPWLDPMRR-JTQLQIEISA-N 1 2 239.319 1.099 20 0 BDADLO Cc1ccc(O)c(C[NH2+]CC(C)(F)F)n1 ZINC000378738540 346819881 /nfs/dbraw/zinc/81/98/81/346819881.db2.gz NYRQBLVHIMUXOU-UHFFFAOYSA-N 1 2 216.231 1.840 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000073993345 343998342 /nfs/dbraw/zinc/99/83/42/343998342.db2.gz PMXDROVMFFGNIT-CHWSQXEVSA-N 1 2 247.342 1.968 20 0 BDADLO c1nc([C@@H]2CCCC[N@H+]2C[C@@H]2CCOC2)n[nH]1 ZINC000097055784 398269951 /nfs/dbraw/zinc/26/99/51/398269951.db2.gz GTQDDTVZLDUAHM-QWRGUYRKSA-N 1 2 236.319 1.368 20 0 BDADLO c1nc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCOC2)n[nH]1 ZINC000097055784 398269953 /nfs/dbraw/zinc/26/99/53/398269953.db2.gz GTQDDTVZLDUAHM-QWRGUYRKSA-N 1 2 236.319 1.368 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCC(=O)NC(C)C ZINC000180074812 538957111 /nfs/dbraw/zinc/95/71/11/538957111.db2.gz GTALLZDQRUDISE-VIFPVBQESA-N 1 2 238.335 1.283 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)cn1 ZINC000348360404 136234635 /nfs/dbraw/zinc/23/46/35/136234635.db2.gz QADCQNNCQVVGGP-SNVBAGLBSA-N 1 2 236.315 1.637 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)cn1 ZINC000348360404 136234636 /nfs/dbraw/zinc/23/46/36/136234636.db2.gz QADCQNNCQVVGGP-SNVBAGLBSA-N 1 2 236.315 1.637 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000041528756 178416338 /nfs/dbraw/zinc/41/63/38/178416338.db2.gz KGGKZMLDUQRCJR-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1CC1(C)CCC1 ZINC000334673962 398272221 /nfs/dbraw/zinc/27/22/21/398272221.db2.gz ATBZOQJOWOQILW-JTQLQIEISA-N 1 2 220.320 1.845 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1CC1(C)CCC1 ZINC000334673962 398272224 /nfs/dbraw/zinc/27/22/24/398272224.db2.gz ATBZOQJOWOQILW-JTQLQIEISA-N 1 2 220.320 1.845 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)n1cc[nH+]c1 ZINC000650499764 398274007 /nfs/dbraw/zinc/27/40/07/398274007.db2.gz BETZJHHMOKFEGS-QCNOEVLYSA-N 1 2 249.314 1.270 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC000188996592 346854768 /nfs/dbraw/zinc/85/47/68/346854768.db2.gz VHQUPNXWIOQPEP-SNVBAGLBSA-N 1 2 237.347 1.904 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000602585095 349611796 /nfs/dbraw/zinc/61/17/96/349611796.db2.gz MEWUEUNOSMCRBH-UWVGGRQHSA-N 1 2 231.336 1.589 20 0 BDADLO COC[C@@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000180667561 538958848 /nfs/dbraw/zinc/95/88/48/538958848.db2.gz SYGWWORJHBEJKO-ZETCQYMHSA-N 1 2 242.225 1.322 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636738516 349611211 /nfs/dbraw/zinc/61/12/11/349611211.db2.gz VATZDUYWUUFKCP-CKYFFXLPSA-N 1 2 248.330 1.296 20 0 BDADLO COC1(C)CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000351598633 536566018 /nfs/dbraw/zinc/56/60/18/536566018.db2.gz WKLRJOTWAMODKS-VIFPVBQESA-N 1 2 239.319 1.940 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1cccc2n[nH]cc21 ZINC000600153833 342691877 /nfs/dbraw/zinc/69/18/77/342691877.db2.gz QTQAZUXSDAVVIX-MRVPVSSYSA-N 1 2 233.271 1.214 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600154093 342691883 /nfs/dbraw/zinc/69/18/83/342691883.db2.gz WGZINYFASTZQEL-SECBINFHSA-N 1 2 225.292 1.020 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2ccno2)cn1 ZINC000231882102 342742811 /nfs/dbraw/zinc/74/28/11/342742811.db2.gz RJXJXVQTCQQLDD-UHFFFAOYSA-N 1 2 234.303 1.916 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccccc1F ZINC000054860528 398284075 /nfs/dbraw/zinc/28/40/75/398284075.db2.gz ACLYXKVYRNEUIO-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cn1c2ccccc2[nH+]c1Cn1cnccc1=O ZINC000348741400 136237191 /nfs/dbraw/zinc/23/71/91/136237191.db2.gz IEHLBUCJCZKLJI-UHFFFAOYSA-N 1 2 240.266 1.178 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](O)[C@@H](C)C1 ZINC000127132196 342774984 /nfs/dbraw/zinc/77/49/84/342774984.db2.gz KDHLUSRPUUZMIY-UWVGGRQHSA-N 1 2 222.288 1.297 20 0 BDADLO O=c1c2c([nH]n1-c1cccc(Cl)c1)CC[NH2+]C2 ZINC000634583267 342800185 /nfs/dbraw/zinc/80/01/85/342800185.db2.gz PVGOPMGXAZWDQH-JTQLQIEISA-N 1 2 249.701 1.652 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1C ZINC000042511852 538978226 /nfs/dbraw/zinc/97/82/26/538978226.db2.gz PBMSCTJXNWIGBD-GUBZILKMSA-N 1 2 207.277 1.044 20 0 BDADLO O[C@@H]1CC[C@H]2CCN(c3cc[nH+]c(C4CC4)n3)[C@@H]12 ZINC000624747061 342824016 /nfs/dbraw/zinc/82/40/16/342824016.db2.gz WTZDBCIMNFWYTH-UFGOTCBOSA-N 1 2 245.326 1.704 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000335464492 398289770 /nfs/dbraw/zinc/28/97/70/398289770.db2.gz MMZHOGXNGZEOLG-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000335464492 398289771 /nfs/dbraw/zinc/28/97/71/398289771.db2.gz MMZHOGXNGZEOLG-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO CC[C@@H]1C[N@H+](CCNC(=O)OC(C)C)CCO1 ZINC000496883866 529392501 /nfs/dbraw/zinc/39/25/01/529392501.db2.gz MPLMNCCISJHYQE-LLVKDONJSA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@@H]1C[N@@H+](CCNC(=O)OC(C)C)CCO1 ZINC000496883866 529392502 /nfs/dbraw/zinc/39/25/02/529392502.db2.gz MPLMNCCISJHYQE-LLVKDONJSA-N 1 2 244.335 1.232 20 0 BDADLO COc1nccc(C[NH+]2CC3(CC3)C2)n1 ZINC000449370948 398292426 /nfs/dbraw/zinc/29/24/26/398292426.db2.gz OODQOPMYHRKCQR-UHFFFAOYSA-N 1 2 205.261 1.081 20 0 BDADLO CN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000189282811 538981652 /nfs/dbraw/zinc/98/16/52/538981652.db2.gz JNQFTWJFNCPFLI-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000189282811 538981653 /nfs/dbraw/zinc/98/16/53/538981653.db2.gz JNQFTWJFNCPFLI-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO [NH3+][C@@H](C(=O)N1CCCCCC1)c1cscn1 ZINC000335623306 136240405 /nfs/dbraw/zinc/24/04/05/136240405.db2.gz ZBGAKUHAIBGZNI-SNVBAGLBSA-N 1 2 239.344 1.546 20 0 BDADLO CCc1cc(NCCC(C)(C)O)nc[nH+]1 ZINC000379963684 538982672 /nfs/dbraw/zinc/98/26/72/538982672.db2.gz GYUKMTRAOSUZGJ-UHFFFAOYSA-N 1 2 209.293 1.034 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(F)ccc1O ZINC000189477152 538983127 /nfs/dbraw/zinc/98/31/27/538983127.db2.gz JRIIGHZJCNEKDR-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(F)ccc1O ZINC000189477152 538983128 /nfs/dbraw/zinc/98/31/28/538983128.db2.gz JRIIGHZJCNEKDR-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO Cc1cc(CNC(=O)N[C@@H]2CC[C@H]2O)cc(C)[nH+]1 ZINC000335621128 136239504 /nfs/dbraw/zinc/23/95/04/136239504.db2.gz IWTJXLDMMPJOMC-VXGBXAGGSA-N 1 2 249.314 1.021 20 0 BDADLO CCC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000381575455 539004195 /nfs/dbraw/zinc/00/41/95/539004195.db2.gz ZQASCZBMLBPXBG-QMMMGPOBSA-N 1 2 223.324 1.268 20 0 BDADLO CCC[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000381575455 539004196 /nfs/dbraw/zinc/00/41/96/539004196.db2.gz ZQASCZBMLBPXBG-QMMMGPOBSA-N 1 2 223.324 1.268 20 0 BDADLO CCc1cc(N[C@H](CO)CC(F)F)nc[nH+]1 ZINC000381775313 539007232 /nfs/dbraw/zinc/00/72/32/539007232.db2.gz WUVJGKYLOFBFCG-QMMMGPOBSA-N 1 2 231.246 1.467 20 0 BDADLO Cc1c(C(=O)NCCCn2cc[nH+]c2)ccn1C ZINC000194914445 539008750 /nfs/dbraw/zinc/00/87/50/539008750.db2.gz ZIAHDHMZHDDSGG-UHFFFAOYSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cs1 ZINC000634424735 361949086 /nfs/dbraw/zinc/94/90/86/361949086.db2.gz IDIHOZBJNBYETD-SNVBAGLBSA-N 1 2 240.328 1.326 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cs1 ZINC000634424735 361949089 /nfs/dbraw/zinc/94/90/89/361949089.db2.gz IDIHOZBJNBYETD-SNVBAGLBSA-N 1 2 240.328 1.326 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1(C2CCC2)CC1 ZINC000649497729 398295817 /nfs/dbraw/zinc/29/58/17/398295817.db2.gz QFUMIGIWCFRBHX-UHFFFAOYSA-N 1 2 248.330 1.515 20 0 BDADLO CC[C@@H](C[NH+]1CCCC1)Nc1nc(C)ns1 ZINC000381398027 538999587 /nfs/dbraw/zinc/99/95/87/538999587.db2.gz QDUZYATUVANPIP-JTQLQIEISA-N 1 2 240.376 1.555 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000042334397 361980893 /nfs/dbraw/zinc/98/08/93/361980893.db2.gz MVTUULYXEJUXEX-NSHDSACASA-N 1 2 238.331 1.968 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000042334397 361980894 /nfs/dbraw/zinc/98/08/94/361980894.db2.gz MVTUULYXEJUXEX-NSHDSACASA-N 1 2 238.331 1.968 20 0 BDADLO CCc1nc(C[NH2+][C@@]2(CC)CCOC2)no1 ZINC000390548714 539026146 /nfs/dbraw/zinc/02/61/46/539026146.db2.gz NTLCAALHGKFREO-NSHDSACASA-N 1 2 225.292 1.291 20 0 BDADLO CCC(CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000390813624 539027491 /nfs/dbraw/zinc/02/74/91/539027491.db2.gz DQSXTKREMMHHCD-UHFFFAOYSA-N 1 2 223.324 1.268 20 0 BDADLO CCC(CC)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000390813624 539027492 /nfs/dbraw/zinc/02/74/92/539027492.db2.gz DQSXTKREMMHHCD-UHFFFAOYSA-N 1 2 223.324 1.268 20 0 BDADLO CCc1cc(N[C@H](C)c2nnc(C)[nH]2)nc[nH+]1 ZINC000392716527 539028063 /nfs/dbraw/zinc/02/80/63/539028063.db2.gz ZXKVNSIXZGFUBY-SSDOTTSWSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1cc(N[C@@H](C)c2nnc(C)[nH]2)nc[nH+]1 ZINC000392716529 539028279 /nfs/dbraw/zinc/02/82/79/539028279.db2.gz ZXKVNSIXZGFUBY-ZETCQYMHSA-N 1 2 232.291 1.639 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000625065780 342847949 /nfs/dbraw/zinc/84/79/49/342847949.db2.gz RFBYEUHEQPJSIT-SECBINFHSA-N 1 2 239.344 1.372 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000625065780 342847950 /nfs/dbraw/zinc/84/79/50/342847950.db2.gz RFBYEUHEQPJSIT-SECBINFHSA-N 1 2 239.344 1.372 20 0 BDADLO CC[C@]1(C)COCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493081392 529407877 /nfs/dbraw/zinc/40/78/77/529407877.db2.gz GYKOMCXGGPOZCT-MUBLQREKSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@H]1CC[C@H](Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000631288692 342872156 /nfs/dbraw/zinc/87/21/56/342872156.db2.gz RPNNDHNIBJANDH-MGCOHNPYSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@H]1CC[C@H](Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000631288692 342872157 /nfs/dbraw/zinc/87/21/57/342872157.db2.gz RPNNDHNIBJANDH-MGCOHNPYSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CCCOCC2)c(C)[nH]1 ZINC000059950854 342877016 /nfs/dbraw/zinc/87/70/16/342877016.db2.gz FZOAHDIAWKCYHD-UHFFFAOYSA-N 1 2 236.315 1.537 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CCCOCC2)c(C)[nH]1 ZINC000059950854 342877018 /nfs/dbraw/zinc/87/70/18/342877018.db2.gz FZOAHDIAWKCYHD-UHFFFAOYSA-N 1 2 236.315 1.537 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000335647016 136243724 /nfs/dbraw/zinc/24/37/24/136243724.db2.gz PVXDRYKMQVWJLJ-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000335647016 136243725 /nfs/dbraw/zinc/24/37/25/136243725.db2.gz PVXDRYKMQVWJLJ-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO COCC[N@H+](CCO)Cc1ncccc1Cl ZINC000625132579 342885913 /nfs/dbraw/zinc/88/59/13/342885913.db2.gz SUUSFWJYCDLRGA-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO COCC[N@@H+](CCO)Cc1ncccc1Cl ZINC000625132579 342885915 /nfs/dbraw/zinc/88/59/15/342885915.db2.gz SUUSFWJYCDLRGA-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO CCO[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000628035180 342886877 /nfs/dbraw/zinc/88/68/77/342886877.db2.gz AIXAQFIDIFGPHW-LLVKDONJSA-N 1 2 237.303 1.183 20 0 BDADLO CCO[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000628035180 342886878 /nfs/dbraw/zinc/88/68/78/342886878.db2.gz AIXAQFIDIFGPHW-LLVKDONJSA-N 1 2 237.303 1.183 20 0 BDADLO COCCc1nc(C[N@H+](C)C2CCCC2)no1 ZINC000351346252 136244849 /nfs/dbraw/zinc/24/48/49/136244849.db2.gz YGFZIMPWVUBSQP-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO COCCc1nc(C[N@@H+](C)C2CCCC2)no1 ZINC000351346252 136244850 /nfs/dbraw/zinc/24/48/50/136244850.db2.gz YGFZIMPWVUBSQP-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(C)cn2)C1 ZINC000336084967 398315034 /nfs/dbraw/zinc/31/50/34/398315034.db2.gz KWLKBAYFKOFVMM-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)n(C)n1 ZINC000487382129 529413359 /nfs/dbraw/zinc/41/33/59/529413359.db2.gz UOGFHADSGQCWCE-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)n(C)n1 ZINC000487382129 529413361 /nfs/dbraw/zinc/41/33/61/529413361.db2.gz UOGFHADSGQCWCE-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1CC=CC1 ZINC000077000949 342900567 /nfs/dbraw/zinc/90/05/67/342900567.db2.gz JRXKPODFSZDHIG-UHFFFAOYSA-N 1 2 233.315 1.746 20 0 BDADLO OCCCc1cn(-c2ccnc(C3CC3)n2)c[nH+]1 ZINC000602621498 349641460 /nfs/dbraw/zinc/64/14/60/349641460.db2.gz IWQFNLPEZCLLQM-UHFFFAOYSA-N 1 2 244.298 1.465 20 0 BDADLO CCCCc1cc(NC[C@@](C)(O)CC)nc[nH+]1 ZINC000631093549 342923966 /nfs/dbraw/zinc/92/39/66/342923966.db2.gz YHBGVXGLIUQRIP-ZDUSSCGKSA-N 1 2 237.347 1.814 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccnn1CC ZINC000505608102 529416320 /nfs/dbraw/zinc/41/63/20/529416320.db2.gz HDCGGLPYFAKHDJ-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccnn1CC ZINC000505608102 529416322 /nfs/dbraw/zinc/41/63/22/529416322.db2.gz HDCGGLPYFAKHDJ-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348207810 536631185 /nfs/dbraw/zinc/63/11/85/536631185.db2.gz YNGFGLFZFDNCAZ-QXEWZRGKSA-N 1 2 227.304 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348207810 536631190 /nfs/dbraw/zinc/63/11/90/536631190.db2.gz YNGFGLFZFDNCAZ-QXEWZRGKSA-N 1 2 227.304 1.047 20 0 BDADLO CCOC(=O)CN(C)Cc1cc(OC)cc[nH+]1 ZINC000264376379 346883642 /nfs/dbraw/zinc/88/36/42/346883642.db2.gz BXAOCSIKOINFPE-UHFFFAOYSA-N 1 2 238.287 1.085 20 0 BDADLO CC[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000490078300 529444664 /nfs/dbraw/zinc/44/46/64/529444664.db2.gz UORIDOPEOANFPW-NSHDSACASA-N 1 2 207.277 1.136 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000602643370 349655238 /nfs/dbraw/zinc/65/52/38/349655238.db2.gz FJQJFAZNIVAZKH-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1nc(NC[C@H]2CCCCS2)nc(N)[nH+]1 ZINC000304453038 398336445 /nfs/dbraw/zinc/33/64/45/398336445.db2.gz KLMXDDLGNXSOBY-MRVPVSSYSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCCCS2)[nH+]1 ZINC000304453038 398336446 /nfs/dbraw/zinc/33/64/46/398336446.db2.gz KLMXDDLGNXSOBY-MRVPVSSYSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1nc(N[C@H]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000304471209 398336884 /nfs/dbraw/zinc/33/68/84/398336884.db2.gz NJHHEVHXOZQJJZ-QMMMGPOBSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC(C)(C)C2)[nH+]1 ZINC000304471209 398336885 /nfs/dbraw/zinc/33/68/85/398336885.db2.gz NJHHEVHXOZQJJZ-QMMMGPOBSA-N 1 2 221.308 1.753 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H](SC)C1 ZINC000602678158 349670736 /nfs/dbraw/zinc/67/07/36/349670736.db2.gz CUMJRXQWXHXNDJ-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H](SC)C1 ZINC000602678158 349670738 /nfs/dbraw/zinc/67/07/38/349670738.db2.gz CUMJRXQWXHXNDJ-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCCCCC2 ZINC000634590006 342937264 /nfs/dbraw/zinc/93/72/64/342937264.db2.gz OFNBBIGCJJCMTA-LLVKDONJSA-N 1 2 237.347 1.717 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)C(=O)OC(C)C)C1CC1 ZINC000602682795 349674371 /nfs/dbraw/zinc/67/43/71/349674371.db2.gz RZNGLZYOQKVABL-GXSJLCMTSA-N 1 2 229.320 1.341 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000602682053 349674415 /nfs/dbraw/zinc/67/44/15/349674415.db2.gz QDWRKHUWDUZJBC-GARJFASQSA-N 1 2 229.320 1.484 20 0 BDADLO OC1(CCNc2cc(NC3CC3)nc[nH+]2)CCC1 ZINC000562727396 398342092 /nfs/dbraw/zinc/34/20/92/398342092.db2.gz ORLIYTGQWRNNRI-UHFFFAOYSA-N 1 2 248.330 1.768 20 0 BDADLO OC1(CCNc2cc(NC3CC3)[nH+]cn2)CCC1 ZINC000562727396 398342093 /nfs/dbraw/zinc/34/20/93/398342093.db2.gz ORLIYTGQWRNNRI-UHFFFAOYSA-N 1 2 248.330 1.768 20 0 BDADLO CC[C@@](C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493508995 529496895 /nfs/dbraw/zinc/49/68/95/529496895.db2.gz FHURECJAGYYHTA-FYJFLYSWSA-N 1 2 237.303 1.354 20 0 BDADLO CC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000075679179 344015339 /nfs/dbraw/zinc/01/53/39/344015339.db2.gz NPRQBKLEBYHUAM-SECBINFHSA-N 1 2 217.309 1.031 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000075679179 344015340 /nfs/dbraw/zinc/01/53/40/344015340.db2.gz NPRQBKLEBYHUAM-SECBINFHSA-N 1 2 217.309 1.031 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCCO2)nc[nH+]1 ZINC000301233329 187205538 /nfs/dbraw/zinc/20/55/38/187205538.db2.gz KCYTXFZMDAIZMW-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO CC[C@H]1C[N@H+](Cc2snnc2C)C[C@H](C)O1 ZINC000580316137 346900842 /nfs/dbraw/zinc/90/08/42/346900842.db2.gz WHCPEOCZFVOUCI-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2snnc2C)C[C@H](C)O1 ZINC000580316137 346900844 /nfs/dbraw/zinc/90/08/44/346900844.db2.gz WHCPEOCZFVOUCI-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000162411233 349696874 /nfs/dbraw/zinc/69/68/74/349696874.db2.gz DJPOWTTTZJFLJC-CYBMUJFWSA-N 1 2 238.331 1.435 20 0 BDADLO CCOCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000162411233 349696879 /nfs/dbraw/zinc/69/68/79/349696879.db2.gz DJPOWTTTZJFLJC-CYBMUJFWSA-N 1 2 238.331 1.435 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H]1COC ZINC000492813493 529550474 /nfs/dbraw/zinc/55/04/74/529550474.db2.gz YYKPJCAWUHKRSH-SGUJLRQBSA-N 1 2 249.314 1.164 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000353758711 187208964 /nfs/dbraw/zinc/20/89/64/187208964.db2.gz KYLVVLPRKOCGCK-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)CC[N@H+](CC2(F)CC2)CC[S@@]1=O ZINC000562661815 323026508 /nfs/dbraw/zinc/02/65/08/323026508.db2.gz QBRBUOJALMEVCZ-HNNXBMFYSA-N 1 2 233.352 1.722 20 0 BDADLO CC1(C)CC[N@@H+](CC2(F)CC2)CC[S@@]1=O ZINC000562661815 323026509 /nfs/dbraw/zinc/02/65/09/323026509.db2.gz QBRBUOJALMEVCZ-HNNXBMFYSA-N 1 2 233.352 1.722 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H]1COC ZINC000492813495 529557594 /nfs/dbraw/zinc/55/75/94/529557594.db2.gz YYKPJCAWUHKRSH-WYGGZMRJSA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NOC1CCC1 ZINC000493671824 529559478 /nfs/dbraw/zinc/55/94/78/529559478.db2.gz CQNFGPGTAVOKRE-SREVYHEPSA-N 1 2 235.287 1.517 20 0 BDADLO CCn1cccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496120254 529547157 /nfs/dbraw/zinc/54/71/57/529547157.db2.gz FURKSDJBVMYLQT-LBPRGKRZSA-N 1 2 249.314 1.144 20 0 BDADLO CCn1cccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496120254 529547160 /nfs/dbraw/zinc/54/71/60/529547160.db2.gz FURKSDJBVMYLQT-LBPRGKRZSA-N 1 2 249.314 1.144 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2c[nH]c[nH+]2)[C@H]1SC ZINC000562687719 323027629 /nfs/dbraw/zinc/02/76/29/323027629.db2.gz SDQKMTPDNMCRKS-QXFUBDJGSA-N 1 2 227.333 1.731 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000602768143 349723581 /nfs/dbraw/zinc/72/35/81/349723581.db2.gz WJOHLLUEVYUSSH-QMMMGPOBSA-N 1 2 223.263 1.773 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000602768143 349723585 /nfs/dbraw/zinc/72/35/85/349723585.db2.gz WJOHLLUEVYUSSH-QMMMGPOBSA-N 1 2 223.263 1.773 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]C2(C)COC2)o1 ZINC000602739988 349708963 /nfs/dbraw/zinc/70/89/63/349708963.db2.gz PBRKGPLPMUXHKA-UHFFFAOYSA-N 1 2 239.271 1.335 20 0 BDADLO CCOC(=O)[C@@]1(C)C[N@H+](CC=C(C)C)CCO1 ZINC000602745297 349711022 /nfs/dbraw/zinc/71/10/22/349711022.db2.gz FVQGMFCJIOANET-CYBMUJFWSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)[C@@]1(C)C[N@@H+](CC=C(C)C)CCO1 ZINC000602745297 349711024 /nfs/dbraw/zinc/71/10/24/349711024.db2.gz FVQGMFCJIOANET-CYBMUJFWSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)OC ZINC000602796623 349737750 /nfs/dbraw/zinc/73/77/50/349737750.db2.gz DMWPOTYLTQWCOH-ZWNOBZJWSA-N 1 2 243.347 1.733 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000602801738 349741849 /nfs/dbraw/zinc/74/18/49/349741849.db2.gz NCTOXQZZWWTZNN-LBPRGKRZSA-N 1 2 225.336 1.146 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000602801738 349741851 /nfs/dbraw/zinc/74/18/51/349741851.db2.gz NCTOXQZZWWTZNN-LBPRGKRZSA-N 1 2 225.336 1.146 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCOC ZINC000518334111 259339511 /nfs/dbraw/zinc/33/95/11/259339511.db2.gz DMJVPAYIGKCLRB-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCOC ZINC000518334111 259339513 /nfs/dbraw/zinc/33/95/13/259339513.db2.gz DMJVPAYIGKCLRB-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CC[C@@H](C)[N@H+](CCN(C#N)CC)CC(=O)OC ZINC000602825057 349763941 /nfs/dbraw/zinc/76/39/41/349763941.db2.gz JNQIVGRXYJLDBD-LLVKDONJSA-N 1 2 241.335 1.063 20 0 BDADLO CC[C@@H](C)[N@@H+](CCN(C#N)CC)CC(=O)OC ZINC000602825057 349763943 /nfs/dbraw/zinc/76/39/43/349763943.db2.gz JNQIVGRXYJLDBD-LLVKDONJSA-N 1 2 241.335 1.063 20 0 BDADLO CCC[N@H+](CC(C)=O)[C@H](CC)C(=O)OCC ZINC000602827659 349765463 /nfs/dbraw/zinc/76/54/63/349765463.db2.gz LWPOERWTJFRQGC-LLVKDONJSA-N 1 2 229.320 1.629 20 0 BDADLO CCC[N@@H+](CC(C)=O)[C@H](CC)C(=O)OCC ZINC000602827659 349765466 /nfs/dbraw/zinc/76/54/66/349765466.db2.gz LWPOERWTJFRQGC-LLVKDONJSA-N 1 2 229.320 1.629 20 0 BDADLO CC[C@H]([NH2+]CCOC(C)(C)CC)C(=O)OC ZINC000308715929 529603287 /nfs/dbraw/zinc/60/32/87/529603287.db2.gz BFPZAYBQCIDZPA-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000602815389 349757535 /nfs/dbraw/zinc/75/75/35/349757535.db2.gz KDBRCVDEIIYEPN-SRVKXCTJSA-N 1 2 225.336 1.287 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000602815389 349757540 /nfs/dbraw/zinc/75/75/40/349757540.db2.gz KDBRCVDEIIYEPN-SRVKXCTJSA-N 1 2 225.336 1.287 20 0 BDADLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)s1 ZINC000048561724 343040439 /nfs/dbraw/zinc/04/04/39/343040439.db2.gz VGYLEWVQDYRQLX-UHFFFAOYSA-N 1 2 235.312 1.569 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1nccs1 ZINC000335911203 136263124 /nfs/dbraw/zinc/26/31/24/136263124.db2.gz JNMYMEKAYGWCDW-OCAPTIKFSA-N 1 2 225.317 1.564 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1nccs1 ZINC000335911203 136263125 /nfs/dbraw/zinc/26/31/25/136263125.db2.gz JNMYMEKAYGWCDW-OCAPTIKFSA-N 1 2 225.317 1.564 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336100743 136263501 /nfs/dbraw/zinc/26/35/01/136263501.db2.gz FDISMBLZCURTSC-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)n2cncn2)cc[nH+]1 ZINC000192943546 346920857 /nfs/dbraw/zinc/92/08/57/346920857.db2.gz KGTCVIDAPNEZDK-VIFPVBQESA-N 1 2 231.259 1.181 20 0 BDADLO Cc1nn(-c2[nH+]ccn2C)c2c1CCC2 ZINC000634630088 343038804 /nfs/dbraw/zinc/03/88/04/343038804.db2.gz LVALHYORYZPKNS-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CCC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H]1C ZINC000634634241 343047047 /nfs/dbraw/zinc/04/70/47/343047047.db2.gz SJXSLDBGSLNTBW-JTQLQIEISA-N 1 2 234.303 1.518 20 0 BDADLO CCc1[nH]n(CCCn2cc[nH+]c2)c(=O)c1C ZINC000634634241 343047049 /nfs/dbraw/zinc/04/70/49/343047049.db2.gz SJXSLDBGSLNTBW-JTQLQIEISA-N 1 2 234.303 1.518 20 0 BDADLO CC1(C)CCC(n2[nH]c3c(c2=O)C[NH2+]CC3)CC1 ZINC000634635823 343050048 /nfs/dbraw/zinc/05/00/48/343050048.db2.gz NVERPYPHAKTQLS-NSHDSACASA-N 1 2 249.358 1.763 20 0 BDADLO C/C(=C\C(=O)N1CCn2cc(C)[nH+]c2C1)C1CC1 ZINC000374698058 187224865 /nfs/dbraw/zinc/22/48/65/187224865.db2.gz PVFZPNZDTNEHOT-JXMROGBWSA-N 1 2 245.326 1.890 20 0 BDADLO Cc1nc(N(C)CCCCCO)cc[nH+]1 ZINC000227111088 187227875 /nfs/dbraw/zinc/22/78/75/187227875.db2.gz LLOPDYBCBZKTAS-UHFFFAOYSA-N 1 2 209.293 1.384 20 0 BDADLO CC[C@H](N[C@H]1CCn2cc[nH+]c21)C(F)F ZINC000453252787 529672846 /nfs/dbraw/zinc/67/28/46/529672846.db2.gz VRRZKOMZEDMHJZ-YUMQZZPRSA-N 1 2 215.247 1.961 20 0 BDADLO CC[C@@H](NC(=O)c1nccn1CC)c1[nH]cc[nH+]1 ZINC000487196961 529679659 /nfs/dbraw/zinc/67/96/59/529679659.db2.gz SJMYGCWIUGMQBJ-SECBINFHSA-N 1 2 247.302 1.507 20 0 BDADLO C[C@H]1C[NH+](Cc2cnn[nH]2)C[C@H](C)C1(F)F ZINC000625654272 344027030 /nfs/dbraw/zinc/02/70/30/344027030.db2.gz XVHRHJMRBBPNEH-YUMQZZPRSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@H]1C[NH+](Cc2c[nH]nn2)C[C@H](C)C1(F)F ZINC000625654272 344027034 /nfs/dbraw/zinc/02/70/34/344027034.db2.gz XVHRHJMRBBPNEH-YUMQZZPRSA-N 1 2 230.262 1.528 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC[C@H]2O)s1 ZINC000358866525 136266854 /nfs/dbraw/zinc/26/68/54/136266854.db2.gz AJHCOKVGNXCYIL-NXEZZACHSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)s1 ZINC000358866525 136266855 /nfs/dbraw/zinc/26/68/55/136266855.db2.gz AJHCOKVGNXCYIL-NXEZZACHSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)c[nH+]1 ZINC000634503641 362014110 /nfs/dbraw/zinc/01/41/10/362014110.db2.gz KNZFRUWCCWQINJ-PHDIDXHHSA-N 1 2 233.193 1.399 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000634503809 362014151 /nfs/dbraw/zinc/01/41/51/362014151.db2.gz QIKZKHLSKPEIKL-HTQZYQBOSA-N 1 2 247.220 1.340 20 0 BDADLO CC(C)CCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640939864 362079641 /nfs/dbraw/zinc/07/96/41/362079641.db2.gz GCESOYSWLDJYQH-UHFFFAOYSA-N 1 2 233.319 1.959 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1[C@@H]1C=CCCC1 ZINC000640944451 362090474 /nfs/dbraw/zinc/09/04/74/362090474.db2.gz DFPLNLMJEWEJEK-ZYHUDNBSSA-N 1 2 234.303 1.220 20 0 BDADLO Cc1cc(NCc2ccc(C(N)=O)cc2)nc[nH+]1 ZINC000170545757 136270263 /nfs/dbraw/zinc/27/02/63/136270263.db2.gz HGTDKQKJIDVHMK-UHFFFAOYSA-N 1 2 242.282 1.496 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H](C)C(F)F ZINC000640999595 362112084 /nfs/dbraw/zinc/11/20/84/362112084.db2.gz HGNOZVSIAJQEHW-SSDOTTSWSA-N 1 2 246.261 1.356 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000569690717 323037068 /nfs/dbraw/zinc/03/70/68/323037068.db2.gz KCXMJKQLOKXLKE-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000621348806 343128939 /nfs/dbraw/zinc/12/89/39/343128939.db2.gz FGQKVSLRRWQHSZ-ZANVPECISA-N 1 2 249.358 1.857 20 0 BDADLO CO[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC1 ZINC000421580547 192356389 /nfs/dbraw/zinc/35/63/89/192356389.db2.gz WRPJNOYGHJKGRI-ZDUSSCGKSA-N 1 2 248.326 1.740 20 0 BDADLO OC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000049942785 136271737 /nfs/dbraw/zinc/27/17/37/136271737.db2.gz AYGSSTXQACVWAC-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000602866136 349798283 /nfs/dbraw/zinc/79/82/83/349798283.db2.gz NDWAOWQRVBYRHX-LBPRGKRZSA-N 1 2 237.347 1.433 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@H](C)OCC12CCC2 ZINC000602866136 349798284 /nfs/dbraw/zinc/79/82/84/349798284.db2.gz NDWAOWQRVBYRHX-LBPRGKRZSA-N 1 2 237.347 1.433 20 0 BDADLO CCC[C@H]1SCCN1C(=O)Cn1cc[nH+]c1 ZINC000576916720 365720979 /nfs/dbraw/zinc/72/09/79/365720979.db2.gz GIOYJLWBBRXKLZ-LLVKDONJSA-N 1 2 239.344 1.585 20 0 BDADLO CCOc1ccccc1C[NH+]1CC(O)C1 ZINC000070841437 343179210 /nfs/dbraw/zinc/17/92/10/343179210.db2.gz JYDAOLJHELQUKX-UHFFFAOYSA-N 1 2 207.273 1.262 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)Cn1cccn1 ZINC000127881235 343179215 /nfs/dbraw/zinc/17/92/15/343179215.db2.gz UBFFCRBOYWLAOS-JTQLQIEISA-N 1 2 232.287 1.787 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)C1CC1)c1[nH]cc[nH+]1 ZINC000125378462 343173074 /nfs/dbraw/zinc/17/30/74/343173074.db2.gz BHCGUGSCLANJPY-HTQZYQBOSA-N 1 2 207.277 1.633 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000168201693 343210061 /nfs/dbraw/zinc/21/00/61/343210061.db2.gz GBZAYRQXIHZRSI-AEJSXWLSSA-N 1 2 229.320 1.077 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@]2(C)CC2(F)F)c[nH+]1 ZINC000618606728 343220450 /nfs/dbraw/zinc/22/04/50/343220450.db2.gz QOENXHFKKTZLJJ-VIFPVBQESA-N 1 2 229.230 1.493 20 0 BDADLO COC[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000082777032 136276995 /nfs/dbraw/zinc/27/69/95/136276995.db2.gz LHWRLRSDTZARIU-RKDXNWHRSA-N 1 2 217.309 1.341 20 0 BDADLO CCC(O)(CC)CNc1nc[nH+]c(N)c1OC ZINC000134907394 343191838 /nfs/dbraw/zinc/19/18/38/343191838.db2.gz MGGPDPPHFYPMIB-UHFFFAOYSA-N 1 2 240.307 1.030 20 0 BDADLO CCC(O)(CC)CNc1[nH+]cnc(N)c1OC ZINC000134907394 343191841 /nfs/dbraw/zinc/19/18/41/343191841.db2.gz MGGPDPPHFYPMIB-UHFFFAOYSA-N 1 2 240.307 1.030 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCC(C)(C)C1 ZINC000134897460 343191905 /nfs/dbraw/zinc/19/19/05/343191905.db2.gz DFWDHBCDFBNLBC-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCC(C)(C)C1 ZINC000134897460 343191907 /nfs/dbraw/zinc/19/19/07/343191907.db2.gz DFWDHBCDFBNLBC-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO CC(C)(C)OC1CC([NH2+]Cc2ccn[nH]2)C1 ZINC000134560063 343194718 /nfs/dbraw/zinc/19/47/18/343194718.db2.gz HZQOQDFJBCCAGU-UHFFFAOYSA-N 1 2 223.320 1.845 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnns1)c1ccco1 ZINC000625318281 343233765 /nfs/dbraw/zinc/23/37/65/343233765.db2.gz NENBHERNOMIPIL-SECBINFHSA-N 1 2 239.300 1.608 20 0 BDADLO COCC1=CC[N@H+](Cc2cncc(OC)n2)CC1 ZINC000625333736 343238097 /nfs/dbraw/zinc/23/80/97/343238097.db2.gz FIGCEBQODHEPKF-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO COCC1=CC[N@@H+](Cc2cncc(OC)n2)CC1 ZINC000625333736 343238099 /nfs/dbraw/zinc/23/80/99/343238099.db2.gz FIGCEBQODHEPKF-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384519662 343251590 /nfs/dbraw/zinc/25/15/90/343251590.db2.gz ATWRSERDNALCEO-XLPZGREQSA-N 1 2 238.291 1.045 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384519662 343251592 /nfs/dbraw/zinc/25/15/92/343251592.db2.gz ATWRSERDNALCEO-XLPZGREQSA-N 1 2 238.291 1.045 20 0 BDADLO CC(C)(C)CCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641043364 362154484 /nfs/dbraw/zinc/15/44/84/362154484.db2.gz QUNYPDMQZLMPLM-LLVKDONJSA-N 1 2 238.335 1.375 20 0 BDADLO CC(C)C=Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035279 362146600 /nfs/dbraw/zinc/14/66/00/362146600.db2.gz GVCOWVGQHIFQNW-ARJAWSKDSA-N 1 2 217.276 1.719 20 0 BDADLO COC(C)(C)c1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641052114 362161538 /nfs/dbraw/zinc/16/15/38/362161538.db2.gz QHAOVOINVUPDFT-UHFFFAOYSA-N 1 2 246.314 1.911 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(CC[C@@H](C)O)nn1 ZINC000641052912 362162765 /nfs/dbraw/zinc/16/27/65/362162765.db2.gz WCNILMSGTOJYHU-SNVBAGLBSA-N 1 2 246.314 1.343 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037073692 343332757 /nfs/dbraw/zinc/33/27/57/343332757.db2.gz CIQLLZVSKBIIRC-MNOVXSKESA-N 1 2 221.300 1.941 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCC1CCC1 ZINC000618613887 343305677 /nfs/dbraw/zinc/30/56/77/343305677.db2.gz DJOSYVQVXQCIAD-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C1Cc2ccccc2C1 ZINC000037085673 343333433 /nfs/dbraw/zinc/33/34/33/343333433.db2.gz KTJYKXXEWLNZSH-UHFFFAOYSA-N 1 2 233.311 1.695 20 0 BDADLO Cc1[nH+]cccc1Cc1nc([C@H]2CCOC2)no1 ZINC000348865953 136302513 /nfs/dbraw/zinc/30/25/13/136302513.db2.gz KXPOTKUUVNQZIY-NSHDSACASA-N 1 2 245.282 1.868 20 0 BDADLO Cc1cc[nH+]cc1NCc1cn(C)nn1 ZINC000070958576 343342978 /nfs/dbraw/zinc/34/29/78/343342978.db2.gz HPNQUFWEQCSXGL-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CC[C@@H]1CCC[C@@]2(C1)NC(=O)C[N@@H+]2CC ZINC000335643564 136303845 /nfs/dbraw/zinc/30/38/45/136303845.db2.gz POSKVTKLTMLQON-ZYHUDNBSSA-N 1 2 210.321 1.735 20 0 BDADLO CC[C@@H]1CCC[C@@]2(C1)NC(=O)C[N@H+]2CC ZINC000335643564 136303846 /nfs/dbraw/zinc/30/38/46/136303846.db2.gz POSKVTKLTMLQON-ZYHUDNBSSA-N 1 2 210.321 1.735 20 0 BDADLO CC[C@H]1CCC[C@@]2(C1)NC(=O)C[N@@H+]2CC ZINC000335643561 136303948 /nfs/dbraw/zinc/30/39/48/136303948.db2.gz POSKVTKLTMLQON-CMPLNLGQSA-N 1 2 210.321 1.735 20 0 BDADLO CC[C@H]1CCC[C@@]2(C1)NC(=O)C[N@H+]2CC ZINC000335643561 136303949 /nfs/dbraw/zinc/30/39/49/136303949.db2.gz POSKVTKLTMLQON-CMPLNLGQSA-N 1 2 210.321 1.735 20 0 BDADLO COCc1ccccc1C[NH2+]Cc1csnn1 ZINC000037762806 343354017 /nfs/dbraw/zinc/35/40/17/343354017.db2.gz FKHORKKURZGBNZ-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO CC/C=C\CCn1cc(C[N@H+](C)CCO)nn1 ZINC000641065272 362171495 /nfs/dbraw/zinc/17/14/95/362171495.db2.gz AWVRSQXQLUVZDU-PLNGDYQASA-N 1 2 238.335 1.059 20 0 BDADLO CC/C=C\CCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641065272 362171499 /nfs/dbraw/zinc/17/14/99/362171499.db2.gz AWVRSQXQLUVZDU-PLNGDYQASA-N 1 2 238.335 1.059 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)C1(F)F ZINC000335652726 136305645 /nfs/dbraw/zinc/30/56/45/136305645.db2.gz BSAGHQNCAZZEFG-APPZFPTMSA-N 1 2 243.257 1.280 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H](C2CCC2)C1 ZINC000335664554 136316304 /nfs/dbraw/zinc/31/63/04/136316304.db2.gz RMZNGAIJVRKRAP-GFCCVEGCSA-N 1 2 235.331 1.421 20 0 BDADLO CC[N@H+](Cc1nc(C)c[nH]1)[C@@H]1CCOC1 ZINC000628289371 346937098 /nfs/dbraw/zinc/93/70/98/346937098.db2.gz HHAVSKXNDSLQEQ-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[N@@H+](Cc1nc(C)c[nH]1)[C@@H]1CCOC1 ZINC000628289371 346937100 /nfs/dbraw/zinc/93/71/00/346937100.db2.gz HHAVSKXNDSLQEQ-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000274598389 187338401 /nfs/dbraw/zinc/33/84/01/187338401.db2.gz LTWKPTMLQBBSSF-QWRGUYRKSA-N 1 2 235.331 1.671 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1CCCCC1 ZINC000041595284 343421716 /nfs/dbraw/zinc/42/17/16/343421716.db2.gz SEHSLVWPSJJKHX-UHFFFAOYSA-N 1 2 236.319 1.552 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276618775 187339144 /nfs/dbraw/zinc/33/91/44/187339144.db2.gz SVQLKZLGBGLANL-ZQJWYQMXSA-N 1 2 221.304 1.744 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000335722481 136346384 /nfs/dbraw/zinc/34/63/84/136346384.db2.gz HPIYPSKUVSKFJI-SNVBAGLBSA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000335722481 136346385 /nfs/dbraw/zinc/34/63/85/136346385.db2.gz HPIYPSKUVSKFJI-SNVBAGLBSA-N 1 2 228.336 1.010 20 0 BDADLO Cc1csc(CN2CCn3cc[nH+]c3C2)n1 ZINC000335704263 136335165 /nfs/dbraw/zinc/33/51/65/136335165.db2.gz YCCWWDUGPXLUPO-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CC(=O)CC(C)(C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000276560165 187338921 /nfs/dbraw/zinc/33/89/21/187338921.db2.gz SMBTXWGSYWODEH-UHFFFAOYSA-N 1 2 237.303 1.421 20 0 BDADLO Cc1cc(NC(=O)c2cccc(CO)c2)cc[nH+]1 ZINC000335715098 136338654 /nfs/dbraw/zinc/33/86/54/136338654.db2.gz SJRWBMDNKDYUEV-UHFFFAOYSA-N 1 2 242.278 1.557 20 0 BDADLO CC(C)=CCNc1[nH+]cnc(-n2cccn2)c1N ZINC000276853380 187339696 /nfs/dbraw/zinc/33/96/96/187339696.db2.gz YBTVBPHGQJCQAM-UHFFFAOYSA-N 1 2 244.302 1.623 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335719903 136340619 /nfs/dbraw/zinc/34/06/19/136340619.db2.gz DIHQQHXNXKACOE-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335719903 136340620 /nfs/dbraw/zinc/34/06/20/136340620.db2.gz DIHQQHXNXKACOE-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cnccn1 ZINC000349310834 136340626 /nfs/dbraw/zinc/34/06/26/136340626.db2.gz HLQMIFYYDWTQEE-SKDRFNHKSA-N 1 2 249.339 1.922 20 0 BDADLO CSC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000602919655 349809646 /nfs/dbraw/zinc/80/96/46/349809646.db2.gz KGPYQJJSGWOFPX-UHFFFAOYSA-N 1 2 226.349 1.441 20 0 BDADLO Cc1c[nH]cc1C(=O)Nc1cc[nH+]cc1C ZINC000335857392 136356291 /nfs/dbraw/zinc/35/62/91/136356291.db2.gz IJPMKQBGUKPRKN-UHFFFAOYSA-N 1 2 215.256 1.701 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1conc1CC ZINC000350300030 136357941 /nfs/dbraw/zinc/35/79/41/136357941.db2.gz IYJCFUNURGPRCS-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1conc1CC ZINC000350300030 136357942 /nfs/dbraw/zinc/35/79/42/136357942.db2.gz IYJCFUNURGPRCS-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335896154 136359395 /nfs/dbraw/zinc/35/93/95/136359395.db2.gz VDSLYSSIEQZKFK-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000350669730 136362356 /nfs/dbraw/zinc/36/23/56/136362356.db2.gz NHDRJLWPAWLPRG-VHSXEESVSA-N 1 2 229.283 1.589 20 0 BDADLO CC[C@H](NC(=O)c1nccc(C)n1)c1[nH]cc[nH+]1 ZINC000350925804 136364636 /nfs/dbraw/zinc/36/46/36/136364636.db2.gz HUABMMLMERSVBB-VIFPVBQESA-N 1 2 245.286 1.389 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000351499514 136368737 /nfs/dbraw/zinc/36/87/37/136368737.db2.gz CMEFXIZMUDLNIL-PSASIEDQSA-N 1 2 219.288 1.171 20 0 BDADLO CC(=O)CC(C)(C)CC(=O)N1CC[NH+](C)CC1 ZINC000351500353 136369053 /nfs/dbraw/zinc/36/90/53/136369053.db2.gz SMZPLETUQLQFBW-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccon2)[nH]1 ZINC000351580778 136369376 /nfs/dbraw/zinc/36/93/76/136369376.db2.gz LXNZLYCQHBDORA-MRVPVSSYSA-N 1 2 249.270 1.640 20 0 BDADLO Cc1nc2ccccn2c1C[NH+]1CCOCC1 ZINC000247972272 136373626 /nfs/dbraw/zinc/37/36/26/136373626.db2.gz SRNXJTODMCXFQB-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO Cc1[nH+]c2ccccn2c1CN1CCOCC1 ZINC000247972272 136373627 /nfs/dbraw/zinc/37/36/27/136373627.db2.gz SRNXJTODMCXFQB-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO CSC1CC[NH+](Cc2nncn2C)CC1 ZINC000602922223 349811724 /nfs/dbraw/zinc/81/17/24/349811724.db2.gz DOBOBFRXSFDQET-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO CCOC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000631139190 343469162 /nfs/dbraw/zinc/46/91/62/343469162.db2.gz DRRZZVLOTNXLPZ-UHFFFAOYSA-N 1 2 222.288 1.566 20 0 BDADLO CCS(=O)(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000046183544 343542560 /nfs/dbraw/zinc/54/25/60/343542560.db2.gz FWJVOROLNIQMMK-UHFFFAOYSA-N 1 2 238.312 1.577 20 0 BDADLO CN(C)c1ccc(CNC(=O)C2CCC2)c[nH+]1 ZINC000046386110 343544708 /nfs/dbraw/zinc/54/47/08/343544708.db2.gz KBTAOIYVQDWXBE-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO CC(C)CSCCC[NH+]1CCS(=O)CC1 ZINC000153404536 323051130 /nfs/dbraw/zinc/05/11/30/323051130.db2.gz RORQPEPYHWYUIV-UHFFFAOYSA-N 1 2 249.445 1.830 20 0 BDADLO CCc1cc(NCc2ccnn2C)nc[nH+]1 ZINC000070905390 343564489 /nfs/dbraw/zinc/56/44/89/343564489.db2.gz MTXQASGFNZYTCV-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO CC(C)=CC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000279006735 187342120 /nfs/dbraw/zinc/34/21/20/187342120.db2.gz UKVLGQNPCUSBJR-UHFFFAOYSA-N 1 2 244.289 1.941 20 0 BDADLO CC(C)=CC[N@H+](C)Cc1ncnn1CC(F)F ZINC000279006735 187342122 /nfs/dbraw/zinc/34/21/22/187342122.db2.gz UKVLGQNPCUSBJR-UHFFFAOYSA-N 1 2 244.289 1.941 20 0 BDADLO CC(C)(C)/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000255354546 343580690 /nfs/dbraw/zinc/58/06/90/343580690.db2.gz JAOQKODBLLQXRO-XQRVVYSFSA-N 1 2 221.304 1.671 20 0 BDADLO CC(C)n1cnc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000281408185 187343263 /nfs/dbraw/zinc/34/32/63/187343263.db2.gz ZEHHHMDUTKMOET-UHFFFAOYSA-N 1 2 247.302 1.091 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccncc1F ZINC000622745392 343605901 /nfs/dbraw/zinc/60/59/01/343605901.db2.gz KIAFFYPQPLYMTK-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccncc1F ZINC000622745392 343605902 /nfs/dbraw/zinc/60/59/02/343605902.db2.gz KIAFFYPQPLYMTK-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccccn1 ZINC000622745317 343606150 /nfs/dbraw/zinc/60/61/50/343606150.db2.gz HFHANTQCVUKTRY-UHFFFAOYSA-N 1 2 216.244 1.077 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccccn1 ZINC000622745317 343606153 /nfs/dbraw/zinc/60/61/53/343606153.db2.gz HFHANTQCVUKTRY-UHFFFAOYSA-N 1 2 216.244 1.077 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000620076348 343635546 /nfs/dbraw/zinc/63/55/46/343635546.db2.gz OQTPWOJTNWQFAZ-GFCCVEGCSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000620076348 343635547 /nfs/dbraw/zinc/63/55/47/343635547.db2.gz OQTPWOJTNWQFAZ-GFCCVEGCSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283519367 187343511 /nfs/dbraw/zinc/34/35/11/187343511.db2.gz QKLVNPKSKIKYLO-ONEGZZNKSA-N 1 2 235.287 1.060 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCCO1)C(C)(C)C ZINC000119109030 343641761 /nfs/dbraw/zinc/64/17/61/343641761.db2.gz ZJCRGTUTUYVDRK-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CC1(C)SC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283389762 187343951 /nfs/dbraw/zinc/34/39/51/187343951.db2.gz PKXWZYSJLMAOCC-NWALNABHSA-N 1 2 237.328 1.433 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1c[nH]nc1C ZINC000602943843 349825673 /nfs/dbraw/zinc/82/56/73/349825673.db2.gz SFEMHWQIWBPJDQ-LLVKDONJSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1c[nH]nc1C ZINC000602943843 349825674 /nfs/dbraw/zinc/82/56/74/349825674.db2.gz SFEMHWQIWBPJDQ-LLVKDONJSA-N 1 2 237.303 1.102 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000620074321 343630507 /nfs/dbraw/zinc/63/05/07/343630507.db2.gz DVOSRIQLPUDCMJ-QMTHXVAHSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1ccc(C[NH+]2CC(n3ccnn3)C2)nc1 ZINC000354997098 178564074 /nfs/dbraw/zinc/56/40/74/178564074.db2.gz HUNBPQOLICRFST-UHFFFAOYSA-N 1 2 229.287 1.038 20 0 BDADLO CCCCOCC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000119146711 343657124 /nfs/dbraw/zinc/65/71/24/343657124.db2.gz XIAKUVHAEHVBDJ-LLVKDONJSA-N 1 2 245.363 1.980 20 0 BDADLO COc1ccnc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000577054299 365795442 /nfs/dbraw/zinc/79/54/42/365795442.db2.gz SHDOZGQTMUZCBB-BDAKNGLRSA-N 1 2 245.286 1.800 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCO[C@H](C)C1 ZINC000287475614 187346280 /nfs/dbraw/zinc/34/62/80/187346280.db2.gz JTQXBBZSNKFBNV-SNVBAGLBSA-N 1 2 249.314 1.951 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccnn1C ZINC000602985800 349837542 /nfs/dbraw/zinc/83/75/42/349837542.db2.gz JBVOBFBVRIYKRU-UHFFFAOYSA-N 1 2 249.314 1.090 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccnn1C ZINC000602985800 349837544 /nfs/dbraw/zinc/83/75/44/349837544.db2.gz JBVOBFBVRIYKRU-UHFFFAOYSA-N 1 2 249.314 1.090 20 0 BDADLO CC[NH+](CC)CC(=O)Oc1ccccc1OC ZINC000058788680 343702523 /nfs/dbraw/zinc/70/25/23/343702523.db2.gz CACOOQBHODXMRK-UHFFFAOYSA-N 1 2 237.299 1.942 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1(C)COC1 ZINC000287445023 187346521 /nfs/dbraw/zinc/34/65/21/187346521.db2.gz HQCANEDSFAPTFH-UHFFFAOYSA-N 1 2 249.314 1.856 20 0 BDADLO c1nc2c([nH]1)C[N@H+](CCOCC1CCCC1)CC2 ZINC000625435450 343736382 /nfs/dbraw/zinc/73/63/82/343736382.db2.gz QVRZNAAXGVKNHB-UHFFFAOYSA-N 1 2 249.358 1.975 20 0 BDADLO c1nc2c([nH]1)C[N@@H+](CCOCC1CCCC1)CC2 ZINC000625435450 343736384 /nfs/dbraw/zinc/73/63/84/343736384.db2.gz QVRZNAAXGVKNHB-UHFFFAOYSA-N 1 2 249.358 1.975 20 0 BDADLO Cc1nnc([C@H](C)N2CCc3[nH+]c[nH]c3C2)s1 ZINC000625438244 343740167 /nfs/dbraw/zinc/74/01/67/343740167.db2.gz YAHCATXXHONQNW-ZETCQYMHSA-N 1 2 249.343 1.689 20 0 BDADLO c1nc2c([nH]1)C[N@H+](CCOCC1CC1)CC2 ZINC000625438580 343740720 /nfs/dbraw/zinc/74/07/20/343740720.db2.gz XXRNDFUAKXTYHW-UHFFFAOYSA-N 1 2 221.304 1.194 20 0 BDADLO c1nc2c([nH]1)C[N@@H+](CCOCC1CC1)CC2 ZINC000625438580 343740721 /nfs/dbraw/zinc/74/07/21/343740721.db2.gz XXRNDFUAKXTYHW-UHFFFAOYSA-N 1 2 221.304 1.194 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1COCC1(C)C ZINC000312990170 343710534 /nfs/dbraw/zinc/71/05/34/343710534.db2.gz QKJQJEZUDICQOB-GHMZBOCLSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)CC(=O)NC1CC1 ZINC000061799258 343729197 /nfs/dbraw/zinc/72/91/97/343729197.db2.gz FFTLQTNHRFVWCE-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)CC(=O)NC1CC1 ZINC000061799258 343729199 /nfs/dbraw/zinc/72/91/99/343729199.db2.gz FFTLQTNHRFVWCE-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC12CCOCC2 ZINC000584165820 343767632 /nfs/dbraw/zinc/76/76/32/343767632.db2.gz UHZKQXBLXMLGLQ-SNVBAGLBSA-N 1 2 249.314 1.151 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178849433 346967124 /nfs/dbraw/zinc/96/71/24/346967124.db2.gz YDPSOVHSDLTNAS-LLVKDONJSA-N 1 2 243.310 1.997 20 0 BDADLO CCSCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000089422409 343746420 /nfs/dbraw/zinc/74/64/20/343746420.db2.gz HEJHNPXGGZJEHH-UHFFFAOYSA-N 1 2 231.361 1.815 20 0 BDADLO COc1ccc(NC(=O)Cn2cc[nH+]c2)c(C)n1 ZINC000127838983 343752485 /nfs/dbraw/zinc/75/24/85/343752485.db2.gz JGTBYWOPVLORCI-UHFFFAOYSA-N 1 2 246.270 1.234 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H]2C[C@H]2C1 ZINC000624407562 343757421 /nfs/dbraw/zinc/75/74/21/343757421.db2.gz IERBXUYDGSKACD-UWVGGRQHSA-N 1 2 204.273 1.936 20 0 BDADLO CC(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000290480582 187348647 /nfs/dbraw/zinc/34/86/47/187348647.db2.gz HWXFVOOTNUXOEM-JTQLQIEISA-N 1 2 244.298 1.981 20 0 BDADLO CN(CC1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493586723 529859622 /nfs/dbraw/zinc/85/96/22/529859622.db2.gz PNEUOVPVGMAFTQ-SNAWJCMRSA-N 1 2 205.261 1.291 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000066666463 187273810 /nfs/dbraw/zinc/27/38/10/187273810.db2.gz VJXUZMGVYSZAML-NWALNABHSA-N 1 2 216.712 1.195 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000066666463 187273812 /nfs/dbraw/zinc/27/38/12/187273812.db2.gz VJXUZMGVYSZAML-NWALNABHSA-N 1 2 216.712 1.195 20 0 BDADLO Nc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000112749950 343786061 /nfs/dbraw/zinc/78/60/61/343786061.db2.gz AWMLZCUADACZMW-UHFFFAOYSA-N 1 2 226.283 1.622 20 0 BDADLO CN(CCCCCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492767092 529880912 /nfs/dbraw/zinc/88/09/12/529880912.db2.gz NHSPLFORWGMHET-WAYWQWQTSA-N 1 2 237.303 1.044 20 0 BDADLO Fc1cccc([C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)c1 ZINC000297327788 187352171 /nfs/dbraw/zinc/35/21/71/187352171.db2.gz ZYPALDVVRZYURH-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)c1 ZINC000297327788 187352172 /nfs/dbraw/zinc/35/21/72/187352172.db2.gz ZYPALDVVRZYURH-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)c1 ZINC000297327788 187352174 /nfs/dbraw/zinc/35/21/74/187352174.db2.gz ZYPALDVVRZYURH-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)c1 ZINC000297327788 187352176 /nfs/dbraw/zinc/35/21/76/187352176.db2.gz ZYPALDVVRZYURH-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)c1 ZINC000297327788 187352178 /nfs/dbraw/zinc/35/21/78/187352178.db2.gz ZYPALDVVRZYURH-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1cccc([C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)c1 ZINC000297327788 187352179 /nfs/dbraw/zinc/35/21/79/187352179.db2.gz ZYPALDVVRZYURH-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO CC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000071858223 187276489 /nfs/dbraw/zinc/27/64/89/187276489.db2.gz JHWJCJLJGKZMPL-ZETCQYMHSA-N 1 2 211.290 1.437 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)c1ccco1 ZINC000625487892 343884619 /nfs/dbraw/zinc/88/46/19/343884619.db2.gz BVUFNJVFTCEMEH-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO CCC[C@H](NCc1c[nH+]cn1C)C(=O)OCC ZINC000290610908 347002009 /nfs/dbraw/zinc/00/20/09/347002009.db2.gz KJBXPPNBYFCTCK-NSHDSACASA-N 1 2 239.319 1.242 20 0 BDADLO CSCc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000603223512 349887816 /nfs/dbraw/zinc/88/78/16/349887816.db2.gz SGKXHTOAFAAPGE-UHFFFAOYSA-N 1 2 234.328 1.893 20 0 BDADLO CN(CC(F)(F)F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000683918403 488244340 /nfs/dbraw/zinc/24/43/40/488244340.db2.gz PXVUSXOSZUEBOL-UHFFFAOYSA-N 1 2 249.236 1.708 20 0 BDADLO COc1ncccc1C[NH2+]Cc1cscn1 ZINC000040505200 187355126 /nfs/dbraw/zinc/35/51/26/187355126.db2.gz SVTKXOLBQQFWQL-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493729576 529952837 /nfs/dbraw/zinc/95/28/37/529952837.db2.gz WGINBVIWVVVXAE-PFDYWKIBSA-N 1 2 249.314 1.042 20 0 BDADLO CN(C[C@@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493726974 529949757 /nfs/dbraw/zinc/94/97/57/529949757.db2.gz PVSDUERDXDFHFE-YEZKRMTDSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(c1cncs1)N1CC(n2cc[nH+]c2)C1 ZINC000523689329 343960371 /nfs/dbraw/zinc/96/03/71/343960371.db2.gz AALZZKCVJRVKDW-UHFFFAOYSA-N 1 2 234.284 1.037 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cnc(C)o1 ZINC000628117196 343966439 /nfs/dbraw/zinc/96/64/39/343966439.db2.gz XCCCQFFDKPEUEX-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cnc(C)o1 ZINC000628117196 343966440 /nfs/dbraw/zinc/96/64/40/343966440.db2.gz XCCCQFFDKPEUEX-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CSC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330736753 187357590 /nfs/dbraw/zinc/35/75/90/187357590.db2.gz NPOTVMHSYCJDRI-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO CSC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330736753 187357592 /nfs/dbraw/zinc/35/75/92/187357592.db2.gz NPOTVMHSYCJDRI-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625725679 344057356 /nfs/dbraw/zinc/05/73/56/344057356.db2.gz ROCGETHKQVIQRW-VIFPVBQESA-N 1 2 246.310 1.375 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625725679 344057357 /nfs/dbraw/zinc/05/73/57/344057357.db2.gz ROCGETHKQVIQRW-VIFPVBQESA-N 1 2 246.310 1.375 20 0 BDADLO C[C@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000641241935 362302179 /nfs/dbraw/zinc/30/21/79/362302179.db2.gz KWWRZBLHRIUHNN-UWVGGRQHSA-N 1 2 219.288 1.066 20 0 BDADLO OCc1cc[nH+]c(NCCCOCC2CC2)c1 ZINC000641266590 362338496 /nfs/dbraw/zinc/33/84/96/362338496.db2.gz GRWNWXCSMGTKGI-UHFFFAOYSA-N 1 2 236.315 1.224 20 0 BDADLO CC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000035133744 187287173 /nfs/dbraw/zinc/28/71/73/187287173.db2.gz JKTGYTZASMXUQO-UHFFFAOYSA-N 1 2 236.319 1.456 20 0 BDADLO C[C@@H]1CCN(c2cccnn2)C[C@@H]1n1cc[nH+]c1 ZINC000584249167 344111781 /nfs/dbraw/zinc/11/17/81/344111781.db2.gz YSADBNVQOWDJJJ-NEPJUHHUSA-N 1 2 243.314 1.761 20 0 BDADLO COC(=O)c1ccnc(NCCn2cc[nH+]c2)c1 ZINC000220285346 344135415 /nfs/dbraw/zinc/13/54/15/344135415.db2.gz GUTVBVPURDSCPR-UHFFFAOYSA-N 1 2 246.270 1.177 20 0 BDADLO CSC[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000180022167 259373451 /nfs/dbraw/zinc/37/34/51/259373451.db2.gz UQLSRBIRMLGWHX-SECBINFHSA-N 1 2 229.374 1.866 20 0 BDADLO CSC[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000180022167 259373452 /nfs/dbraw/zinc/37/34/52/259373452.db2.gz UQLSRBIRMLGWHX-SECBINFHSA-N 1 2 229.374 1.866 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CCO1 ZINC000628129053 344157440 /nfs/dbraw/zinc/15/74/40/344157440.db2.gz JTNMRDSVRHYUCZ-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H](C)C1=O ZINC000618098708 344182968 /nfs/dbraw/zinc/18/29/68/344182968.db2.gz TWARCCOLQUCGCK-NXEZZACHSA-N 1 2 249.314 1.026 20 0 BDADLO COCCOCCCCNc1cc[nH+]cc1F ZINC000641325598 362363572 /nfs/dbraw/zinc/36/35/72/362363572.db2.gz BLLOIMGXAISQQE-UHFFFAOYSA-N 1 2 242.294 1.498 20 0 BDADLO Cc1cncnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000641323392 362363625 /nfs/dbraw/zinc/36/36/25/362363625.db2.gz LKJOIHYAQFCWKD-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1cccc(CCNc2cc(CO)cc[nH+]2)c1 ZINC000641323627 362364306 /nfs/dbraw/zinc/36/43/06/362364306.db2.gz JYXFVVAFXPQKCG-UHFFFAOYSA-N 1 2 242.322 1.959 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000228173216 259374436 /nfs/dbraw/zinc/37/44/36/259374436.db2.gz MYNSXBCILJVDBY-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000228173216 259374437 /nfs/dbraw/zinc/37/44/37/259374437.db2.gz MYNSXBCILJVDBY-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000408214977 344250391 /nfs/dbraw/zinc/25/03/91/344250391.db2.gz NITXIEAVUDWKDD-XNWIYYODSA-N 1 2 239.319 1.709 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000408214977 344250393 /nfs/dbraw/zinc/25/03/93/344250393.db2.gz NITXIEAVUDWKDD-XNWIYYODSA-N 1 2 239.319 1.709 20 0 BDADLO Cc1cncnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000641342826 362371245 /nfs/dbraw/zinc/37/12/45/362371245.db2.gz IQMSCCUIXWLLQV-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO COC(=O)c1cn(Cc2cc[nH+]cc2C)c(C)n1 ZINC000600537743 344262954 /nfs/dbraw/zinc/26/29/54/344262954.db2.gz UCNJVJWWLPPSKJ-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000631427810 344273872 /nfs/dbraw/zinc/27/38/72/344273872.db2.gz NXJTZQJRWQTTIT-AOOOYVTPSA-N 1 2 229.283 1.235 20 0 BDADLO CC[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641367385 362379260 /nfs/dbraw/zinc/37/92/60/362379260.db2.gz JBNIJQYYDVGALT-CMPLNLGQSA-N 1 2 236.315 1.578 20 0 BDADLO C/C=C/CNc1[nH+]cnc2c1cnn2C ZINC000385007287 344291153 /nfs/dbraw/zinc/29/11/53/344291153.db2.gz MVWIPRMKVARCTP-ONEGZZNKSA-N 1 2 203.249 1.351 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc[nH]c1 ZINC000622083103 344291269 /nfs/dbraw/zinc/29/12/69/344291269.db2.gz YDFJURJCTZWPNU-SECBINFHSA-N 1 2 232.287 1.722 20 0 BDADLO CCc1cc(NC[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000084234095 344365287 /nfs/dbraw/zinc/36/52/87/344365287.db2.gz FLVPCGTYDCCOQU-GXSJLCMTSA-N 1 2 221.304 1.612 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1[nH+]ccn1C ZINC000620592293 344325643 /nfs/dbraw/zinc/32/56/43/344325643.db2.gz OEYALYQYAXYHAY-XHNCKOQMSA-N 1 2 207.277 1.253 20 0 BDADLO C[C@H](NC(=O)[C@H]1CC1(F)F)c1[nH+]ccn1C ZINC000620607092 344358041 /nfs/dbraw/zinc/35/80/41/344358041.db2.gz FBGUHSUNMPOOOB-NKWVEPMBSA-N 1 2 229.230 1.253 20 0 BDADLO CCCn1ncnc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000447886003 201744996 /nfs/dbraw/zinc/74/49/96/201744996.db2.gz MJRUXUFRILDTAF-VIFPVBQESA-N 1 2 234.307 1.262 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641391075 362389090 /nfs/dbraw/zinc/38/90/90/362389090.db2.gz MAJULZPDTZLBST-BDAKNGLRSA-N 1 2 210.277 1.003 20 0 BDADLO COC[C@H](OC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000622866644 344435531 /nfs/dbraw/zinc/43/55/31/344435531.db2.gz MZVGPLYNOVRFGN-JTQLQIEISA-N 1 2 238.287 1.298 20 0 BDADLO C[C@@H](CCO)SCc1ccc[nH+]c1N ZINC000085155649 344505049 /nfs/dbraw/zinc/50/50/49/344505049.db2.gz RFZXHZUKWQUXMU-QMMMGPOBSA-N 1 2 212.318 1.668 20 0 BDADLO CCCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042511674 344442182 /nfs/dbraw/zinc/44/21/82/344442182.db2.gz HAKMKAJCEQQRTG-NSHDSACASA-N 1 2 223.320 1.968 20 0 BDADLO C[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000042267965 344448755 /nfs/dbraw/zinc/44/87/55/344448755.db2.gz SWBJRVBQKYKZDG-SNVBAGLBSA-N 1 2 202.257 1.931 20 0 BDADLO c1ccc(NCCOC[C@@H]2CCOC2)[nH+]c1 ZINC000381388053 344500738 /nfs/dbraw/zinc/50/07/38/344500738.db2.gz MQPLFIOXYIAOJZ-LLVKDONJSA-N 1 2 222.288 1.547 20 0 BDADLO CC[C@@H](C[C@H](C)CO)Nc1cc(CO)cc[nH+]1 ZINC000641410372 362401307 /nfs/dbraw/zinc/40/13/07/362401307.db2.gz SGWPLEVCXCXEJN-JQWIXIFHSA-N 1 2 238.331 1.783 20 0 BDADLO CC[C@H](C[C@@H](C)CO)Nc1cc(CO)cc[nH+]1 ZINC000641410376 362401522 /nfs/dbraw/zinc/40/15/22/362401522.db2.gz SGWPLEVCXCXEJN-ZYHUDNBSSA-N 1 2 238.331 1.783 20 0 BDADLO CCOC(=O)C[C@H](C)Nc1cc(CC)[nH+]cn1 ZINC000259285192 344572730 /nfs/dbraw/zinc/57/27/30/344572730.db2.gz COTXBCDHZCDXAH-VIFPVBQESA-N 1 2 237.303 1.793 20 0 BDADLO Cn1ccc(CNc2cc(CO)cc[nH+]2)c1 ZINC000641415548 362402237 /nfs/dbraw/zinc/40/22/37/362402237.db2.gz VUDIQFFIXQHECG-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043628831 344528770 /nfs/dbraw/zinc/52/87/70/344528770.db2.gz HWFJSSWIBAAOTA-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043628831 344528772 /nfs/dbraw/zinc/52/87/72/344528772.db2.gz HWFJSSWIBAAOTA-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](O)CCNc1cc(CO)cc[nH+]1 ZINC000641438447 362419080 /nfs/dbraw/zinc/41/90/80/362419080.db2.gz CLRSBGOUIGTIQM-SNVBAGLBSA-N 1 2 210.277 1.147 20 0 BDADLO Cn1c[nH+]c(CSc2nncs2)c1 ZINC000641437365 362419124 /nfs/dbraw/zinc/41/91/24/362419124.db2.gz LNKCPJVYWSNBFM-UHFFFAOYSA-N 1 2 212.303 1.564 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152510566 344590000 /nfs/dbraw/zinc/59/00/00/344590000.db2.gz GOHVBUGORNONTJ-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@H](COC)[NH2+][C@@H](C[C@@H](C)CC)C(=O)OC ZINC000577731686 344591037 /nfs/dbraw/zinc/59/10/37/344591037.db2.gz NJWAUCSGOBVWPP-TUAOUCFPSA-N 1 2 245.363 1.979 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ccncc1F ZINC000641446205 362423361 /nfs/dbraw/zinc/42/33/61/362423361.db2.gz BTMBSTULWPKTDM-UHFFFAOYSA-N 1 2 234.278 1.944 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000641458693 362434508 /nfs/dbraw/zinc/43/45/08/362434508.db2.gz HDWRMMWWJMLAKO-ZJUUUORDSA-N 1 2 224.279 1.960 20 0 BDADLO CCC(CC)(CO)CNc1cc[nH+]cc1F ZINC000641461160 362435331 /nfs/dbraw/zinc/43/53/31/362435331.db2.gz YMVNMWLWRFHPFB-UHFFFAOYSA-N 1 2 226.295 1.853 20 0 BDADLO O=C1CC[C@H]2CN(c3cc[nH+]cc3F)CCN12 ZINC000641469680 362437990 /nfs/dbraw/zinc/43/79/90/362437990.db2.gz JONQAGYABMYEGF-VIFPVBQESA-N 1 2 235.262 1.032 20 0 BDADLO C[C@@]1(O)CCCN(c2cc[nH+]cc2F)C1 ZINC000641471224 362439039 /nfs/dbraw/zinc/43/90/39/362439039.db2.gz KJGRGLRSOQIEBK-LLVKDONJSA-N 1 2 210.252 1.572 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CCO)cs1 ZINC000047953360 344581019 /nfs/dbraw/zinc/58/10/19/344581019.db2.gz IDPVYCRZDJSKMA-UHFFFAOYSA-N 1 2 214.334 1.691 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CCO)cs1 ZINC000047953360 344581021 /nfs/dbraw/zinc/58/10/21/344581021.db2.gz IDPVYCRZDJSKMA-UHFFFAOYSA-N 1 2 214.334 1.691 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc(C)c1 ZINC000047867202 344582593 /nfs/dbraw/zinc/58/25/93/344582593.db2.gz GROUHPDTFPWLNH-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc(C)c1 ZINC000047867202 344582594 /nfs/dbraw/zinc/58/25/94/344582594.db2.gz GROUHPDTFPWLNH-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO C[C@H]1CC[C@H](C)N1c1cc(CO)cc[nH+]1 ZINC000641434859 362415519 /nfs/dbraw/zinc/41/55/19/362415519.db2.gz XPPLNWXLLJMVOU-UWVGGRQHSA-N 1 2 206.289 1.951 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641481378 362448970 /nfs/dbraw/zinc/44/89/70/362448970.db2.gz XMRITKMOADSJDT-BXKDBHETSA-N 1 2 224.279 1.870 20 0 BDADLO C[C@H](O)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641484263 362452674 /nfs/dbraw/zinc/45/26/74/362452674.db2.gz LYDLBZSOGFMOQY-DTWKUNHWSA-N 1 2 210.252 1.428 20 0 BDADLO O[C@@H]1CC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000641544447 362492348 /nfs/dbraw/zinc/49/23/48/362492348.db2.gz GSBWNJXNKLDPBB-RKDXNWHRSA-N 1 2 210.252 1.216 20 0 BDADLO O[C@@H]1CN(c2cc[nH+]cc2F)CC(F)(F)C1 ZINC000641527789 362481515 /nfs/dbraw/zinc/48/15/15/362481515.db2.gz UHUUARAIZNLDMP-ZETCQYMHSA-N 1 2 232.205 1.427 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641536727 362486469 /nfs/dbraw/zinc/48/64/69/362486469.db2.gz GRUDDKKTZCSLKV-GXSJLCMTSA-N 1 2 222.288 1.411 20 0 BDADLO CN(Cc1ccco1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492825855 530006751 /nfs/dbraw/zinc/00/67/51/530006751.db2.gz TUUJCCWBULVGLY-SNAWJCMRSA-N 1 2 231.255 1.675 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005872 344663539 /nfs/dbraw/zinc/66/35/39/344663539.db2.gz LYKQZFIIFOVBOP-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005872 344663540 /nfs/dbraw/zinc/66/35/40/344663540.db2.gz LYKQZFIIFOVBOP-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO FCC[C@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000626004857 344667014 /nfs/dbraw/zinc/66/70/14/344667014.db2.gz PQBFPIRWEALJMP-VIFPVBQESA-N 1 2 241.253 1.329 20 0 BDADLO FCC[C@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000626004857 344667016 /nfs/dbraw/zinc/66/70/16/344667016.db2.gz PQBFPIRWEALJMP-VIFPVBQESA-N 1 2 241.253 1.329 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ncn1 ZINC000626005484 344668087 /nfs/dbraw/zinc/66/80/87/344668087.db2.gz DBMGCRHWUCTNDP-GFCCVEGCSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CCF)C2)ncn1 ZINC000626005484 344668089 /nfs/dbraw/zinc/66/80/89/344668089.db2.gz DBMGCRHWUCTNDP-GFCCVEGCSA-N 1 2 239.294 1.345 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025378 344676285 /nfs/dbraw/zinc/67/62/85/344676285.db2.gz VUHDQQSAGYRKRD-UHFFFAOYSA-N 1 2 248.326 1.277 20 0 BDADLO CCCNC(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626025378 344676289 /nfs/dbraw/zinc/67/62/89/344676289.db2.gz VUHDQQSAGYRKRD-UHFFFAOYSA-N 1 2 248.326 1.277 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021495 344677238 /nfs/dbraw/zinc/67/72/38/344677238.db2.gz DDVRPXQOBUSTEG-LLVKDONJSA-N 1 2 234.299 1.275 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021495 344677239 /nfs/dbraw/zinc/67/72/39/344677239.db2.gz DDVRPXQOBUSTEG-LLVKDONJSA-N 1 2 234.299 1.275 20 0 BDADLO CC(=O)NC1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000220938298 344643456 /nfs/dbraw/zinc/64/34/56/344643456.db2.gz OFYIGRISPJTWNV-UHFFFAOYSA-N 1 2 248.330 1.644 20 0 BDADLO CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000152778903 344692022 /nfs/dbraw/zinc/69/20/22/344692022.db2.gz YVBOSCIBXPKLAN-LLVKDONJSA-N 1 2 245.326 1.577 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](CC)C2)[nH]1 ZINC000181726027 347070600 /nfs/dbraw/zinc/07/06/00/347070600.db2.gz LKAYIQLCKNDZCL-SECBINFHSA-N 1 2 240.376 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](CC)C2)[nH]1 ZINC000181726027 347070602 /nfs/dbraw/zinc/07/06/02/347070602.db2.gz LKAYIQLCKNDZCL-SECBINFHSA-N 1 2 240.376 1.695 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc[nH]1 ZINC000075848630 344785466 /nfs/dbraw/zinc/78/54/66/344785466.db2.gz CSQQOFDTTOAFSY-SECBINFHSA-N 1 2 218.260 1.030 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075782798 344791809 /nfs/dbraw/zinc/79/18/09/344791809.db2.gz RGGBQPQBWCNTHU-NXEZZACHSA-N 1 2 241.335 1.957 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000075782798 344791810 /nfs/dbraw/zinc/79/18/10/344791810.db2.gz RGGBQPQBWCNTHU-NXEZZACHSA-N 1 2 241.335 1.957 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1CC(C)C1 ZINC000623040096 347079110 /nfs/dbraw/zinc/07/91/10/347079110.db2.gz JBNCVMLSWNDQOL-UHFFFAOYSA-N 1 2 221.304 1.423 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1CC(C)C1 ZINC000623040096 347079116 /nfs/dbraw/zinc/07/91/16/347079116.db2.gz JBNCVMLSWNDQOL-UHFFFAOYSA-N 1 2 221.304 1.423 20 0 BDADLO COCCN(Cc1ccco1)Cc1[nH]cc(C)[nH+]1 ZINC000628141011 344804840 /nfs/dbraw/zinc/80/48/40/344804840.db2.gz GEVJMONKGWLMLQ-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)OC[C@@H]2C)[nH+]c1C ZINC000628140526 344805795 /nfs/dbraw/zinc/80/57/95/344805795.db2.gz NYNSORDCOLDYFY-DTWKUNHWSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000628143098 344812626 /nfs/dbraw/zinc/81/26/26/344812626.db2.gz BHPMDYDCQUZUFM-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000628143098 344812627 /nfs/dbraw/zinc/81/26/27/344812627.db2.gz BHPMDYDCQUZUFM-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CO[C@@H]1CCCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628143098 344812630 /nfs/dbraw/zinc/81/26/30/344812630.db2.gz BHPMDYDCQUZUFM-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO Cn1cc(CSCc2ccc[nH+]c2N)cn1 ZINC000603342171 349919937 /nfs/dbraw/zinc/91/99/37/349919937.db2.gz KMHDXXSFQIGTEY-UHFFFAOYSA-N 1 2 234.328 1.831 20 0 BDADLO COCC[N@H+](C)Cc1ccoc1C(=O)OC ZINC000077408865 344823756 /nfs/dbraw/zinc/82/37/56/344823756.db2.gz GWZJTSIPCDRMFY-UHFFFAOYSA-N 1 2 227.260 1.144 20 0 BDADLO COCC[N@@H+](C)Cc1ccoc1C(=O)OC ZINC000077408865 344823757 /nfs/dbraw/zinc/82/37/57/344823757.db2.gz GWZJTSIPCDRMFY-UHFFFAOYSA-N 1 2 227.260 1.144 20 0 BDADLO CC[N@@H+](Cc1nc(C)c[nH]1)C[C@@H]1CCCO1 ZINC000628152465 344841284 /nfs/dbraw/zinc/84/12/84/344841284.db2.gz BYSMIJYBKLJBDS-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CC[N@H+](Cc1nc(C)c[nH]1)C[C@@H]1CCCO1 ZINC000628152465 344841285 /nfs/dbraw/zinc/84/12/85/344841285.db2.gz BYSMIJYBKLJBDS-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628155371 344847207 /nfs/dbraw/zinc/84/72/07/344847207.db2.gz XLVMSWKDGHDJOJ-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628155371 344847209 /nfs/dbraw/zinc/84/72/09/344847209.db2.gz XLVMSWKDGHDJOJ-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO C[N@H+](Cc1cnc(C2CC2)o1)Cc1cnccn1 ZINC000628156271 344847734 /nfs/dbraw/zinc/84/77/34/344847734.db2.gz JSUNFENGGWZPOX-UHFFFAOYSA-N 1 2 244.298 1.974 20 0 BDADLO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1cnccn1 ZINC000628156271 344847736 /nfs/dbraw/zinc/84/77/36/344847736.db2.gz JSUNFENGGWZPOX-UHFFFAOYSA-N 1 2 244.298 1.974 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@@H]2c2ncon2)[nH+]1 ZINC000628161069 344858407 /nfs/dbraw/zinc/85/84/07/344858407.db2.gz QRDGACOGFLUXMN-SECBINFHSA-N 1 2 233.275 1.438 20 0 BDADLO CCOC(=O)C1(CNc2cc[nH+]c(C)n2)CCC1 ZINC000078300318 344842684 /nfs/dbraw/zinc/84/26/84/344842684.db2.gz HKHFWLBNIDIKGW-UHFFFAOYSA-N 1 2 249.314 1.930 20 0 BDADLO Cc1[nH]c(CN2CCC([C@H](C)O)CC2)[nH+]c1C ZINC000628162255 344863529 /nfs/dbraw/zinc/86/35/29/344863529.db2.gz JFMNQBPWVYBGOP-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO Cc1ncc(C[N@H+](CCO)Cc2cccnc2)o1 ZINC000628163559 344866281 /nfs/dbraw/zinc/86/62/81/344866281.db2.gz IAIREIOHXYWEJO-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1ncc(C[N@@H+](CCO)Cc2cccnc2)o1 ZINC000628163559 344866283 /nfs/dbraw/zinc/86/62/83/344866283.db2.gz IAIREIOHXYWEJO-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO CCC1(O)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000078453575 344870298 /nfs/dbraw/zinc/87/02/98/344870298.db2.gz ZNDIQLMYHJUNRB-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cc[nH]n2)[nH+]1 ZINC000628169626 344884480 /nfs/dbraw/zinc/88/44/80/344884480.db2.gz GRKOMLQPFNWYBT-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C)[C@@H]2C)[nH+]1 ZINC000628175834 344900097 /nfs/dbraw/zinc/90/00/97/344900097.db2.gz LKOYITNEUFNUTM-VHSXEESVSA-N 1 2 209.293 1.327 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000119880248 187294612 /nfs/dbraw/zinc/29/46/12/187294612.db2.gz XSSRKXZXCPHDLI-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000119880248 187294614 /nfs/dbraw/zinc/29/46/14/187294614.db2.gz XSSRKXZXCPHDLI-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@H]2C2CC2)[nH+]1 ZINC000628183474 344931662 /nfs/dbraw/zinc/93/16/62/344931662.db2.gz CJNGNSVPIIDNOY-NSHDSACASA-N 1 2 221.304 1.329 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOCC23CCC3)o1 ZINC000628179976 344916348 /nfs/dbraw/zinc/91/63/48/344916348.db2.gz WVLLWXVDISLUIC-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1ncc(C[N@H+]2CCOCC23CCC3)o1 ZINC000628179976 344916349 /nfs/dbraw/zinc/91/63/49/344916349.db2.gz WVLLWXVDISLUIC-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628198861 344964458 /nfs/dbraw/zinc/96/44/58/344964458.db2.gz OPPIHZDNVCXRGG-UHFFFAOYSA-N 1 2 237.303 1.166 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](c3ccco3)C2)[nH+]1 ZINC000628187940 344941060 /nfs/dbraw/zinc/94/10/60/344941060.db2.gz HFMBRACBZPVJMV-LBPRGKRZSA-N 1 2 247.298 1.885 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2nc(C)ccc2O)n1 ZINC000356887068 178798846 /nfs/dbraw/zinc/79/88/46/178798846.db2.gz ADTWNSBHUZUDCZ-MRVPVSSYSA-N 1 2 248.286 1.638 20 0 BDADLO COCC1(CNc2cc[nH+]cc2F)CCC1 ZINC000641554098 362498593 /nfs/dbraw/zinc/49/85/93/362498593.db2.gz FVKBYDWVNHSGPP-UHFFFAOYSA-N 1 2 224.279 1.871 20 0 BDADLO CCc1nnc(SCc2[nH+]ccn2C)o1 ZINC000641561709 362502759 /nfs/dbraw/zinc/50/27/59/362502759.db2.gz XOQZDJQCGIEYIA-UHFFFAOYSA-N 1 2 224.289 1.658 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn3ccccc3n2)on1 ZINC000044301054 345015567 /nfs/dbraw/zinc/01/55/67/345015567.db2.gz XUBYKGZNGITSJJ-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO CCCCOCC[N@H+](CC(=O)OC)C1CC1 ZINC000079767356 345033623 /nfs/dbraw/zinc/03/36/23/345033623.db2.gz VTGRJHJQZAZZTG-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOCC[N@@H+](CC(=O)OC)C1CC1 ZINC000079767356 345033625 /nfs/dbraw/zinc/03/36/25/345033625.db2.gz VTGRJHJQZAZZTG-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CC1(C)SC[C@H]1Nc1cc[nH+]cc1F ZINC000641560027 362505759 /nfs/dbraw/zinc/50/57/59/362505759.db2.gz XEYQWCWIDHSMKX-SECBINFHSA-N 1 2 212.293 1.949 20 0 BDADLO CC1(C)OCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641615588 362548778 /nfs/dbraw/zinc/54/87/78/362548778.db2.gz NNEOKCRCHGATGK-SNVBAGLBSA-N 1 2 222.288 1.553 20 0 BDADLO CCC[C@H](CNc1cc[nH+]cc1F)OC ZINC000641614677 362550378 /nfs/dbraw/zinc/55/03/78/362550378.db2.gz SSZGKPZJTMTDIR-SECBINFHSA-N 1 2 212.268 1.870 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1CC12CCOCC2 ZINC000641622025 362554299 /nfs/dbraw/zinc/55/42/99/362554299.db2.gz WYCOKHBEOZUXST-LLVKDONJSA-N 1 2 222.263 1.624 20 0 BDADLO C[C@@H]1COCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641594885 362535496 /nfs/dbraw/zinc/53/54/96/362535496.db2.gz SZZVTVBDRPJWHB-PWSUYJOCSA-N 1 2 236.315 1.658 20 0 BDADLO COCC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641606127 362543193 /nfs/dbraw/zinc/54/31/93/362543193.db2.gz ITQXTCKYFRBZAD-UHFFFAOYSA-N 1 2 224.304 1.658 20 0 BDADLO CC[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641640362 362570232 /nfs/dbraw/zinc/57/02/32/362570232.db2.gz OBOXWEWMNWGGTL-RYUDHWBXSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@@H](COCC1CC1)Nc1cc(CO)cc[nH+]1 ZINC000641652408 362578605 /nfs/dbraw/zinc/57/86/05/362578605.db2.gz VNNZQLOMIIXNOB-JTQLQIEISA-N 1 2 236.315 1.801 20 0 BDADLO CO[C@@H](CNc1cc[nH+]cc1F)[C@H]1CCOC1 ZINC000641657187 362580933 /nfs/dbraw/zinc/58/09/33/362580933.db2.gz PLMNQENGLSREFD-CABZTGNLSA-N 1 2 240.278 1.106 20 0 BDADLO CC[C@H](C)CCNc1cc(CO)cc[nH+]1 ZINC000641657157 362581403 /nfs/dbraw/zinc/58/14/03/362581403.db2.gz QDNFUINUYHCEDI-JTQLQIEISA-N 1 2 208.305 1.844 20 0 BDADLO CCO[C@@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641623999 362555342 /nfs/dbraw/zinc/55/53/42/362555342.db2.gz UUNIFKHLZQOAMM-VXGBXAGGSA-N 1 2 236.315 1.943 20 0 BDADLO O=C1[C@H](Nc2cc[nH+]cc2F)C[C@H]2CCCCN12 ZINC000641627291 362556347 /nfs/dbraw/zinc/55/63/47/362556347.db2.gz VMJVZXQVYWFZQW-BXKDBHETSA-N 1 2 249.289 1.208 20 0 BDADLO OCCC[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641624464 362557052 /nfs/dbraw/zinc/55/70/52/362557052.db2.gz GINMAHTXAPTVLX-JTQLQIEISA-N 1 2 224.279 1.820 20 0 BDADLO CON1CCC(N(C)c2cc[nH+]cc2F)CC1 ZINC000641628082 362557677 /nfs/dbraw/zinc/55/76/77/362557677.db2.gz YAHASFGVZLDOQR-UHFFFAOYSA-N 1 2 239.294 1.683 20 0 BDADLO CO[C@@H]([C@H](C)Nc1cc(CO)cc[nH+]1)C1CC1 ZINC000641630098 362560926 /nfs/dbraw/zinc/56/09/26/362560926.db2.gz RQHAFDBEEUHRJO-ZANVPECISA-N 1 2 236.315 1.799 20 0 BDADLO Cn1c[nH+]c(CSC[C@@H]2CCCO2)c1 ZINC000603331179 349924672 /nfs/dbraw/zinc/92/46/72/349924672.db2.gz TYOSBFIKNQWKEI-JTQLQIEISA-N 1 2 212.318 1.832 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccco1 ZINC000339432661 537889932 /nfs/dbraw/zinc/88/99/32/537889932.db2.gz GXEALTCBEQUFHO-UHFFFAOYSA-N 1 2 233.271 1.214 20 0 BDADLO CN(CC[NH2+]Cc1ccon1)Cc1ccccc1 ZINC000634955908 345133887 /nfs/dbraw/zinc/13/38/87/345133887.db2.gz TUHIXSANOYSZJE-UHFFFAOYSA-N 1 2 245.326 1.896 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCO[C@@H](C)C2)c(C)c[nH+]1 ZINC000561612932 345153907 /nfs/dbraw/zinc/15/39/07/345153907.db2.gz RWNWLTMRCDWWRJ-RYUDHWBXSA-N 1 2 248.326 1.874 20 0 BDADLO COC(=O)C1(C)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000425278676 192086759 /nfs/dbraw/zinc/08/67/59/192086759.db2.gz GYVXQJZRXOOGMP-UHFFFAOYSA-N 1 2 249.314 1.599 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC(C)C)[nH+]1 ZINC000635067993 345236731 /nfs/dbraw/zinc/23/67/31/345236731.db2.gz GKIUMJRJCVNWRI-UHFFFAOYSA-N 1 2 223.320 1.677 20 0 BDADLO O=C(NCc1ccccn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635065408 345237244 /nfs/dbraw/zinc/23/72/44/345237244.db2.gz JOVWYIPDGMCMPB-GHMZBOCLSA-N 1 2 242.282 1.225 20 0 BDADLO O=C(NCc1ccccn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635065408 345237247 /nfs/dbraw/zinc/23/72/47/345237247.db2.gz JOVWYIPDGMCMPB-GHMZBOCLSA-N 1 2 242.282 1.225 20 0 BDADLO CC(C)=C(C)CC(=O)NCC[NH+]1CCOCC1 ZINC000635072248 345240184 /nfs/dbraw/zinc/24/01/84/345240184.db2.gz MWCHGGWUGYARMS-UHFFFAOYSA-N 1 2 240.347 1.181 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)Cc2ccco2)[nH+]1 ZINC000635113110 345249443 /nfs/dbraw/zinc/24/94/43/345249443.db2.gz WUJWKWWJLBVTGA-UHFFFAOYSA-N 1 2 247.298 1.766 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1=CCCCCC1 ZINC000132069856 345315366 /nfs/dbraw/zinc/31/53/66/345315366.db2.gz XJIFVTIYSPQPCO-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO CCC(O)(CC)C[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000626111639 345273773 /nfs/dbraw/zinc/27/37/73/345273773.db2.gz VGNCSIUEFONXML-VIFPVBQESA-N 1 2 241.335 1.922 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000626111639 345273775 /nfs/dbraw/zinc/27/37/75/345273775.db2.gz VGNCSIUEFONXML-VIFPVBQESA-N 1 2 241.335 1.922 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000408465048 345312498 /nfs/dbraw/zinc/31/24/98/345312498.db2.gz HTUQZLVLZBMUTD-WPRPVWTQSA-N 1 2 224.308 1.285 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000408465048 345312500 /nfs/dbraw/zinc/31/25/00/345312500.db2.gz HTUQZLVLZBMUTD-WPRPVWTQSA-N 1 2 224.308 1.285 20 0 BDADLO COCCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635396079 345343180 /nfs/dbraw/zinc/34/31/80/345343180.db2.gz ZMPGWYYMMQBOPM-UHFFFAOYSA-N 1 2 247.298 1.361 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2c(C)noc2C)[nH+]1 ZINC000635439290 345369246 /nfs/dbraw/zinc/36/92/46/345369246.db2.gz IZONQRIPVFLKOI-UHFFFAOYSA-N 1 2 248.286 1.758 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635463014 345380302 /nfs/dbraw/zinc/38/03/02/345380302.db2.gz BBMRRLUBGRXUKT-HTQZYQBOSA-N 1 2 218.216 1.140 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635463014 345380303 /nfs/dbraw/zinc/38/03/03/345380303.db2.gz BBMRRLUBGRXUKT-HTQZYQBOSA-N 1 2 218.216 1.140 20 0 BDADLO Cc1cc(N)nc(S[C@H](C(N)=O)C(C)C)[nH+]1 ZINC000330364391 187302823 /nfs/dbraw/zinc/30/28/23/187302823.db2.gz LXOYLHDGFNYDIN-QMMMGPOBSA-N 1 2 240.332 1.850 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000158873355 345383234 /nfs/dbraw/zinc/38/32/34/345383234.db2.gz MQVUGLBXNNIWBD-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000158873355 345383236 /nfs/dbraw/zinc/38/32/36/345383236.db2.gz MQVUGLBXNNIWBD-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CC(C)C[C@H](C(=O)Nc1nc[nH]n1)n1cc[nH+]c1 ZINC000635362396 345325553 /nfs/dbraw/zinc/32/55/53/345325553.db2.gz CGIZETWZIKWUTL-SECBINFHSA-N 1 2 248.290 1.227 20 0 BDADLO NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159210087 345415975 /nfs/dbraw/zinc/41/59/75/345415975.db2.gz NQFHGVVAKSQTEP-UHFFFAOYSA-N 1 2 246.270 1.453 20 0 BDADLO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000159325569 345424501 /nfs/dbraw/zinc/42/45/01/345424501.db2.gz NTCKOLAWBNSGGJ-SFYZADRCSA-N 1 2 225.292 1.321 20 0 BDADLO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000159325569 345424502 /nfs/dbraw/zinc/42/45/02/345424502.db2.gz NTCKOLAWBNSGGJ-SFYZADRCSA-N 1 2 225.292 1.321 20 0 BDADLO C[N@H+](CCC(F)(F)F)Cc1cnccn1 ZINC000080965582 345455217 /nfs/dbraw/zinc/45/52/17/345455217.db2.gz NOPCGCMQEYRPIP-UHFFFAOYSA-N 1 2 219.210 1.861 20 0 BDADLO C[N@@H+](CCC(F)(F)F)Cc1cnccn1 ZINC000080965582 345455219 /nfs/dbraw/zinc/45/52/19/345455219.db2.gz NOPCGCMQEYRPIP-UHFFFAOYSA-N 1 2 219.210 1.861 20 0 BDADLO CC(C)=C(C)CC(=O)NCc1[nH+]ccn1C ZINC000635497388 345397759 /nfs/dbraw/zinc/39/77/59/345397759.db2.gz YOPBYTZWYOEFGW-UHFFFAOYSA-N 1 2 221.304 1.783 20 0 BDADLO OC[C@@H](CNc1cc[nH+]cc1F)CC1CC1 ZINC000641660916 362587444 /nfs/dbraw/zinc/58/74/44/362587444.db2.gz NLLUVQDSIPRCKB-SNVBAGLBSA-N 1 2 224.279 1.463 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1CO ZINC000641674509 362592624 /nfs/dbraw/zinc/59/26/24/362592624.db2.gz ZLRYIOUOZLNHKG-NXEZZACHSA-N 1 2 224.279 1.675 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCC12CCC2 ZINC000081544967 345477472 /nfs/dbraw/zinc/47/74/72/345477472.db2.gz NTYKMCKFNJPWPL-UHFFFAOYSA-N 1 2 235.335 1.602 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCC12CCC2 ZINC000081544967 345477476 /nfs/dbraw/zinc/47/74/76/345477476.db2.gz NTYKMCKFNJPWPL-UHFFFAOYSA-N 1 2 235.335 1.602 20 0 BDADLO C([NH2+][C@H]1CCCSC1)c1noc(C2CC2)n1 ZINC000336679302 187305923 /nfs/dbraw/zinc/30/59/23/187305923.db2.gz QWOICUVMSYEDGF-VIFPVBQESA-N 1 2 239.344 1.932 20 0 BDADLO Cc1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000170207675 345535323 /nfs/dbraw/zinc/53/53/23/345535323.db2.gz AKTSXKQXCZPEHH-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)o1 ZINC000090884360 345578276 /nfs/dbraw/zinc/57/82/76/345578276.db2.gz CRDGERSXYDGTOL-PWSUYJOCSA-N 1 2 249.314 1.706 20 0 BDADLO COc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1O ZINC000177227292 187306978 /nfs/dbraw/zinc/30/69/78/187306978.db2.gz GYSQKWXEGOQINM-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO OC1(C(F)(F)F)CCN(c2cccc[nH+]2)CC1 ZINC000089636489 345557717 /nfs/dbraw/zinc/55/77/17/345557717.db2.gz QXWCYUASIFPEBW-UHFFFAOYSA-N 1 2 246.232 1.975 20 0 BDADLO C[C@@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000091013429 345579793 /nfs/dbraw/zinc/57/97/93/345579793.db2.gz GMDCOINUZXCHLO-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO C[C@@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000091013429 345579797 /nfs/dbraw/zinc/57/97/97/345579797.db2.gz GMDCOINUZXCHLO-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO OC1(C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000089970035 345562158 /nfs/dbraw/zinc/56/21/58/345562158.db2.gz HHJRHLQAJWXRPY-UHFFFAOYSA-N 1 2 249.236 1.299 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)nn1C ZINC000090009600 345562571 /nfs/dbraw/zinc/56/25/71/345562571.db2.gz FCBZUZFLLDKPLS-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)nn1C ZINC000090009600 345562574 /nfs/dbraw/zinc/56/25/74/345562574.db2.gz FCBZUZFLLDKPLS-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000090578492 345573513 /nfs/dbraw/zinc/57/35/13/345573513.db2.gz ZJKWTBHCORLGRL-GXSJLCMTSA-N 1 2 243.347 1.731 20 0 BDADLO Cn1cnnc1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000091428879 345592320 /nfs/dbraw/zinc/59/23/20/345592320.db2.gz WBIHLIYPYGXKHJ-NSHDSACASA-N 1 2 243.314 1.594 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NOC1CCCC1 ZINC000091534217 345597734 /nfs/dbraw/zinc/59/77/34/345597734.db2.gz RSERBSIUUHULDA-UHFFFAOYSA-N 1 2 238.291 1.057 20 0 BDADLO CC[C@H](C)[C@H](C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556513 345598424 /nfs/dbraw/zinc/59/84/24/345598424.db2.gz WKECPWRWZKYXOB-IUCAKERBSA-N 1 2 238.335 1.497 20 0 BDADLO CC[C@H](C)[C@H](C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556513 345598425 /nfs/dbraw/zinc/59/84/25/345598425.db2.gz WKECPWRWZKYXOB-IUCAKERBSA-N 1 2 238.335 1.497 20 0 BDADLO CCc1c[nH]c(CC(=O)N(CC)CC2CC2)[nH+]1 ZINC000635550252 345616337 /nfs/dbraw/zinc/61/63/37/345616337.db2.gz BBFAMSHZEWMHML-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000378840484 345667352 /nfs/dbraw/zinc/66/73/52/345667352.db2.gz XSZOKZQAPOZSEU-ONGXEEELSA-N 1 2 243.347 1.731 20 0 BDADLO CCOc1ccn(Cc2[nH+]ccn2C(F)F)n1 ZINC000641731320 362656706 /nfs/dbraw/zinc/65/67/06/362656706.db2.gz UXRPUBCIGWOKSQ-UHFFFAOYSA-N 1 2 242.229 1.922 20 0 BDADLO O=C(C1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000138693009 345695033 /nfs/dbraw/zinc/69/50/33/345695033.db2.gz JYWJFGUGGDPVHY-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO O=C(C1CCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000138693009 345695036 /nfs/dbraw/zinc/69/50/36/345695036.db2.gz JYWJFGUGGDPVHY-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO CCCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000144182156 345708074 /nfs/dbraw/zinc/70/80/74/345708074.db2.gz YBEUJZNEYLDOFX-UHFFFAOYSA-N 1 2 223.324 1.482 20 0 BDADLO CCCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000144182156 345708077 /nfs/dbraw/zinc/70/80/77/345708077.db2.gz YBEUJZNEYLDOFX-UHFFFAOYSA-N 1 2 223.324 1.482 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000144547137 345708533 /nfs/dbraw/zinc/70/85/33/345708533.db2.gz IAVQJLNCHKTPOI-VIFPVBQESA-N 1 2 205.257 1.736 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000144547137 345708535 /nfs/dbraw/zinc/70/85/35/345708535.db2.gz IAVQJLNCHKTPOI-VIFPVBQESA-N 1 2 205.257 1.736 20 0 BDADLO COc1cc(C)ccc1C(=O)N1CC[NH+](C)CC1 ZINC000200664778 345729153 /nfs/dbraw/zinc/72/91/53/345729153.db2.gz IFVDYVKXRIRDAY-UHFFFAOYSA-N 1 2 248.326 1.391 20 0 BDADLO C[C@H](C(=O)NCC[NH+]1CCOCC1)C(C)(C)C ZINC000205541954 345733539 /nfs/dbraw/zinc/73/35/39/345733539.db2.gz GGNJJMGXAIJRCI-LLVKDONJSA-N 1 2 242.363 1.117 20 0 BDADLO C[N@@H+]1CCc2ncnc(NC[C@H]3CC34CC4)c2C1 ZINC000418986142 192091457 /nfs/dbraw/zinc/09/14/57/192091457.db2.gz GFVZUSGBHLYGTQ-SNVBAGLBSA-N 1 2 244.342 1.098 20 0 BDADLO C[N@H+]1CCc2ncnc(NC[C@H]3CC34CC4)c2C1 ZINC000418986142 192091458 /nfs/dbraw/zinc/09/14/58/192091458.db2.gz GFVZUSGBHLYGTQ-SNVBAGLBSA-N 1 2 244.342 1.098 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635617349 345895656 /nfs/dbraw/zinc/89/56/56/345895656.db2.gz GXSKCAXJFVBBMB-NXEZZACHSA-N 1 2 219.288 1.430 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635617349 345895658 /nfs/dbraw/zinc/89/56/58/345895658.db2.gz GXSKCAXJFVBBMB-NXEZZACHSA-N 1 2 219.288 1.430 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCSC2)[nH+]1 ZINC000635619095 345895884 /nfs/dbraw/zinc/89/58/84/345895884.db2.gz XGAJNVLIWJKZCD-SECBINFHSA-N 1 2 239.344 1.136 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC=CCC2)[nH+]1 ZINC000635583603 345879741 /nfs/dbraw/zinc/87/97/41/345879741.db2.gz SSEYPBHPNVHWJO-LLVKDONJSA-N 1 2 233.315 1.740 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)C(C)C)[nH+]1 ZINC000635593650 345885453 /nfs/dbraw/zinc/88/54/53/345885453.db2.gz CQXAMPFOVVCPSS-SNVBAGLBSA-N 1 2 237.347 1.923 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1C ZINC000635627734 345900543 /nfs/dbraw/zinc/90/05/43/345900543.db2.gz BFULQKQRBVLKLT-UKKRHICBSA-N 1 2 233.315 1.628 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1C ZINC000635627734 345900546 /nfs/dbraw/zinc/90/05/46/345900546.db2.gz BFULQKQRBVLKLT-UKKRHICBSA-N 1 2 233.315 1.628 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccc[nH]2)[nH+]1 ZINC000635634596 345908654 /nfs/dbraw/zinc/90/86/54/345908654.db2.gz AYKYNNVHWLWPHL-UHFFFAOYSA-N 1 2 232.287 1.159 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](CC)C2)[nH+]1 ZINC000635671598 345970588 /nfs/dbraw/zinc/97/05/88/345970588.db2.gz QOXXWWJFBOCZTN-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCCCF ZINC000585753985 345985431 /nfs/dbraw/zinc/98/54/31/345985431.db2.gz YILVZDGYSBZZTD-UWVGGRQHSA-N 1 2 235.274 1.712 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCCCF ZINC000585753985 345985434 /nfs/dbraw/zinc/98/54/34/345985434.db2.gz YILVZDGYSBZZTD-UWVGGRQHSA-N 1 2 235.274 1.712 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C(F)F)C2)[nH+]1 ZINC000635701704 345989613 /nfs/dbraw/zinc/98/96/13/345989613.db2.gz QIPXEHSXQUASNR-UHFFFAOYSA-N 1 2 243.257 1.238 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)[C@@H](C)[C@H]1C ZINC000419018777 192094109 /nfs/dbraw/zinc/09/41/09/192094109.db2.gz PXVHPODNDATPLJ-UTLUCORTSA-N 1 2 245.330 1.844 20 0 BDADLO Cn1cc(Br)c(Cn2cc[nH+]c2)n1 ZINC000292952833 187363360 /nfs/dbraw/zinc/36/33/60/187363360.db2.gz OKWWAYBVHPKHSH-UHFFFAOYSA-N 1 2 241.092 1.427 20 0 BDADLO CCOC(=O)CCc1cc(NC2CC2)nc(C)[nH+]1 ZINC000601099000 346025054 /nfs/dbraw/zinc/02/50/54/346025054.db2.gz NWAXUMYKZTZQJP-UHFFFAOYSA-N 1 2 249.314 1.855 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000106883441 187363411 /nfs/dbraw/zinc/36/34/11/187363411.db2.gz AYEPKNMMRAWJFV-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000106883441 187363413 /nfs/dbraw/zinc/36/34/13/187363413.db2.gz AYEPKNMMRAWJFV-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)CCC2CC2)[nH+]1 ZINC000635718443 346027417 /nfs/dbraw/zinc/02/74/17/346027417.db2.gz LJOFTROCTSUTRB-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635728242 346039140 /nfs/dbraw/zinc/03/91/40/346039140.db2.gz RGPGEZGJXPCCRZ-GHMZBOCLSA-N 1 2 245.326 1.820 20 0 BDADLO O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635728242 346039146 /nfs/dbraw/zinc/03/91/46/346039146.db2.gz RGPGEZGJXPCCRZ-GHMZBOCLSA-N 1 2 245.326 1.820 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C(C)(C)CO)o1 ZINC000605576220 346039445 /nfs/dbraw/zinc/03/94/45/346039445.db2.gz VWIVRRYCNJWFMW-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C(C)(C)CO)o1 ZINC000605576220 346039450 /nfs/dbraw/zinc/03/94/50/346039450.db2.gz VWIVRRYCNJWFMW-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](C3CC3)C2)[nH+]1 ZINC000635748725 346047722 /nfs/dbraw/zinc/04/77/22/346047722.db2.gz FNRORGVVLKECOV-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC3(C2)CCCC3)[nH+]1 ZINC000635820630 346076221 /nfs/dbraw/zinc/07/62/21/346076221.db2.gz QPTJDSLBEUFAPR-UHFFFAOYSA-N 1 2 247.342 1.917 20 0 BDADLO c1nc2c(s1)C[N@H+](Cc1cncnc1)CC2 ZINC000438351823 537939820 /nfs/dbraw/zinc/93/98/20/537939820.db2.gz ILMGFACBKBGFAC-UHFFFAOYSA-N 1 2 232.312 1.491 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2CCC[C@H]21 ZINC000635823800 346078382 /nfs/dbraw/zinc/07/83/82/346078382.db2.gz VOKHJDCFTMWKBS-SBFPOUOMSA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2CCC[C@H]21 ZINC000635823800 346078385 /nfs/dbraw/zinc/07/83/85/346078385.db2.gz VOKHJDCFTMWKBS-SBFPOUOMSA-N 1 2 245.326 1.914 20 0 BDADLO c1nc2c(s1)C[N@@H+](Cc1cncnc1)CC2 ZINC000438351823 537939827 /nfs/dbraw/zinc/93/98/27/537939827.db2.gz ILMGFACBKBGFAC-UHFFFAOYSA-N 1 2 232.312 1.491 20 0 BDADLO CC(C)C[C@@H](C)C[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000330392560 187364717 /nfs/dbraw/zinc/36/47/17/187364717.db2.gz PWUPXIVGLKNGFA-GHMZBOCLSA-N 1 2 228.336 1.905 20 0 BDADLO CC(C)C[C@@H](C)C[N@H+]1CCOC[C@@H]1C(N)=O ZINC000330392560 187364719 /nfs/dbraw/zinc/36/47/19/187364719.db2.gz PWUPXIVGLKNGFA-GHMZBOCLSA-N 1 2 228.336 1.905 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCCO2)[nH+]1 ZINC000635849543 346090329 /nfs/dbraw/zinc/09/03/29/346090329.db2.gz GUFBDLRKICTEBO-UHFFFAOYSA-N 1 2 223.276 1.069 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635894250 346104540 /nfs/dbraw/zinc/10/45/40/346104540.db2.gz FOURWADOWSCRFS-RKDXNWHRSA-N 1 2 235.287 1.108 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635894250 346104544 /nfs/dbraw/zinc/10/45/44/346104544.db2.gz FOURWADOWSCRFS-RKDXNWHRSA-N 1 2 235.287 1.108 20 0 BDADLO CCC(CC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000074916997 346064456 /nfs/dbraw/zinc/06/44/56/346064456.db2.gz DGYDXMYLGRAQNF-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO Cc1ccc2[nH+]cc(CNCC(F)F)n2c1 ZINC000290149212 178983245 /nfs/dbraw/zinc/98/32/45/178983245.db2.gz RTBBCKLMDZIAMK-UHFFFAOYSA-N 1 2 225.242 1.997 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCCOC3)cc2[nH+]1 ZINC000635914411 346108526 /nfs/dbraw/zinc/10/85/26/346108526.db2.gz IRWZZSNKHSBASM-UHFFFAOYSA-N 1 2 245.282 1.463 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCCCN3)cc2[nH+]1 ZINC000635922465 346114844 /nfs/dbraw/zinc/11/48/44/346114844.db2.gz UFVYXKVREMYNEG-UHFFFAOYSA-N 1 2 244.298 1.383 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC(C)(F)F)[nH+]1 ZINC000635973849 346129638 /nfs/dbraw/zinc/12/96/38/346129638.db2.gz RHZHCJVXZKDMFN-UHFFFAOYSA-N 1 2 245.273 1.676 20 0 BDADLO Cc1[nH]c(CN2CCOCC3(CC3)C2)[nH+]c1C ZINC000628236606 346191530 /nfs/dbraw/zinc/19/15/30/346191530.db2.gz IQBJAMMGSUNDRJ-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC3(CC3)C2)[nH]c1C ZINC000628236606 346191532 /nfs/dbraw/zinc/19/15/32/346191532.db2.gz IQBJAMMGSUNDRJ-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC3(CC3)C2)[nH]c1C ZINC000628236606 346191533 /nfs/dbraw/zinc/19/15/33/346191533.db2.gz IQBJAMMGSUNDRJ-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO CCc1cc(N[C@H](C)Cn2cncn2)nc[nH+]1 ZINC000603386347 349942127 /nfs/dbraw/zinc/94/21/27/349942127.db2.gz SERLPIZGMUGSNS-SECBINFHSA-N 1 2 232.291 1.131 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cnn(C)c2C)[nH+]c1C ZINC000628254988 346238603 /nfs/dbraw/zinc/23/86/03/346238603.db2.gz XJUJUMXSJOEFTD-UHFFFAOYSA-N 1 2 247.346 1.700 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccncc1 ZINC000631155486 346252654 /nfs/dbraw/zinc/25/26/54/346252654.db2.gz FQMKNLGHIUADPV-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628275775 346284327 /nfs/dbraw/zinc/28/43/27/346284327.db2.gz CCRXAXLQZFONLZ-QMMMGPOBSA-N 1 2 211.309 1.493 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628275775 346284328 /nfs/dbraw/zinc/28/43/28/346284328.db2.gz CCRXAXLQZFONLZ-QMMMGPOBSA-N 1 2 211.309 1.493 20 0 BDADLO CO[C@@H](C)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628275775 346284332 /nfs/dbraw/zinc/28/43/32/346284332.db2.gz CCRXAXLQZFONLZ-QMMMGPOBSA-N 1 2 211.309 1.493 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC(C3CCOCC3)C2)n1 ZINC000628262366 346261810 /nfs/dbraw/zinc/26/18/10/346261810.db2.gz HTFNXGNAZKIBRP-UHFFFAOYSA-N 1 2 235.331 1.577 20 0 BDADLO Cc1[nH]c(CN2CCOCC23CC3)[nH+]c1C ZINC000628265178 346266236 /nfs/dbraw/zinc/26/62/36/346266236.db2.gz TXTMZZZIQIKNNQ-UHFFFAOYSA-N 1 2 221.304 1.391 20 0 BDADLO CC(F)(F)C[NH2+]Cc1ccncc1N ZINC000641756362 362681557 /nfs/dbraw/zinc/68/15/57/362681557.db2.gz ACQOAASRTCWELW-UHFFFAOYSA-N 1 2 201.220 1.409 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC12CC2 ZINC000636101512 346319960 /nfs/dbraw/zinc/31/99/60/346319960.db2.gz ILVWVNORGBEEQA-ONGXEEELSA-N 1 2 231.299 1.114 20 0 BDADLO CCc1nc(CNc2cccc(C)[nH+]2)n[nH]1 ZINC000295032603 346346736 /nfs/dbraw/zinc/34/67/36/346346736.db2.gz WCRYIENRWLAFOU-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO CCn1nnc(C)c1CNc1cc(CO)cc[nH+]1 ZINC000641762222 362697178 /nfs/dbraw/zinc/69/71/78/362697178.db2.gz IPMIBYTZJVCTIM-UHFFFAOYSA-N 1 2 247.302 1.106 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000636223601 346359444 /nfs/dbraw/zinc/35/94/44/346359444.db2.gz FMFWBTJSJKVZIP-UWVGGRQHSA-N 1 2 233.315 1.383 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@H]3C[C@@H](O)C3)cc2[nH+]1 ZINC000636242513 346366243 /nfs/dbraw/zinc/36/62/43/346366243.db2.gz JZVDGEISGBUHAP-JGZJWPJOSA-N 1 2 245.282 1.352 20 0 BDADLO CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CO1 ZINC000636156533 346338311 /nfs/dbraw/zinc/33/83/11/346338311.db2.gz UIZHMOQYZVOGOE-OPRDCNLKSA-N 1 2 249.314 1.197 20 0 BDADLO CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CO1 ZINC000636156533 346338312 /nfs/dbraw/zinc/33/83/12/346338312.db2.gz UIZHMOQYZVOGOE-OPRDCNLKSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000336267403 187366909 /nfs/dbraw/zinc/36/69/09/187366909.db2.gz OVDKBBIMUNJQLA-CYBMUJFWSA-N 1 2 242.338 1.869 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000336267403 187366910 /nfs/dbraw/zinc/36/69/10/187366910.db2.gz OVDKBBIMUNJQLA-CYBMUJFWSA-N 1 2 242.338 1.869 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC(C)(C)F)[nH+]1 ZINC000636307099 346386557 /nfs/dbraw/zinc/38/65/57/346386557.db2.gz SKSHBDTYGMVLRR-UHFFFAOYSA-N 1 2 227.283 1.379 20 0 BDADLO CC[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)OC ZINC000419197151 192101930 /nfs/dbraw/zinc/10/19/30/192101930.db2.gz XRUHTYFJHKNQDP-JTQLQIEISA-N 1 2 231.336 1.685 20 0 BDADLO CC[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)OC ZINC000419197151 192101932 /nfs/dbraw/zinc/10/19/32/192101932.db2.gz XRUHTYFJHKNQDP-JTQLQIEISA-N 1 2 231.336 1.685 20 0 BDADLO C[C@@H](CC(=O)NCCc1ccon1)n1cc[nH+]c1 ZINC000574920831 346412036 /nfs/dbraw/zinc/41/20/36/346412036.db2.gz AFSQIYCRPSRRDQ-JTQLQIEISA-N 1 2 248.286 1.181 20 0 BDADLO Cc1cccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000340584843 179085535 /nfs/dbraw/zinc/08/55/35/179085535.db2.gz XJCIGCQGNYPWKW-UHFFFAOYSA-N 1 2 228.295 1.916 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCO[C@H]1C1CC1 ZINC000332833835 346453146 /nfs/dbraw/zinc/45/31/46/346453146.db2.gz CDIFARPFQHEYFM-GWCFXTLKSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332901646 346479330 /nfs/dbraw/zinc/47/93/30/346479330.db2.gz VQBCUDAHLQNKJQ-UTLUCORTSA-N 1 2 248.330 1.222 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332901646 346479334 /nfs/dbraw/zinc/47/93/34/346479334.db2.gz VQBCUDAHLQNKJQ-UTLUCORTSA-N 1 2 248.330 1.222 20 0 BDADLO C[C@@H]1CC[N@@H+]2[C@@H](C1)C(=O)NC21CCSCC1 ZINC000186596433 346524396 /nfs/dbraw/zinc/52/43/96/346524396.db2.gz QTKXJTRGZMNVHM-ZJUUUORDSA-N 1 2 240.372 1.440 20 0 BDADLO C[C@@H]1CC[N@H+]2[C@@H](C1)C(=O)NC21CCSCC1 ZINC000186596433 346524399 /nfs/dbraw/zinc/52/43/99/346524399.db2.gz QTKXJTRGZMNVHM-ZJUUUORDSA-N 1 2 240.372 1.440 20 0 BDADLO COCc1noc(C[N@H+](C)CCSC)n1 ZINC000182469834 347095656 /nfs/dbraw/zinc/09/56/56/347095656.db2.gz QWIYFWZKBIREJU-UHFFFAOYSA-N 1 2 231.321 1.011 20 0 BDADLO COCc1noc(C[N@@H+](C)CCSC)n1 ZINC000182469834 347095661 /nfs/dbraw/zinc/09/56/61/347095661.db2.gz QWIYFWZKBIREJU-UHFFFAOYSA-N 1 2 231.321 1.011 20 0 BDADLO CCOC(=O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069908768 349967911 /nfs/dbraw/zinc/96/79/11/349967911.db2.gz JNSIVAWZJWKBAS-RKDXNWHRSA-N 1 2 217.334 1.375 20 0 BDADLO CCCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000069641745 362764671 /nfs/dbraw/zinc/76/46/71/362764671.db2.gz KIPMHQLDACNMTI-UHFFFAOYSA-N 1 2 223.320 1.959 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000335031201 346561243 /nfs/dbraw/zinc/56/12/43/346561243.db2.gz FGEKNBIOZJZIKQ-DTWKUNHWSA-N 1 2 246.301 1.394 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2nccs2)cn1 ZINC000194351019 187369675 /nfs/dbraw/zinc/36/96/75/187369675.db2.gz AIXGUEIMKIIIKZ-UHFFFAOYSA-N 1 2 220.301 1.730 20 0 BDADLO CCCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636445142 346564126 /nfs/dbraw/zinc/56/41/26/346564126.db2.gz BLCMMBFOGJJPQY-SNVBAGLBSA-N 1 2 236.319 1.297 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C)no2)[nH]n1 ZINC000382441900 346586917 /nfs/dbraw/zinc/58/69/17/346586917.db2.gz VPSUTBDWKFTRGJ-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO CC(C)c1cc(N[C@@H](C)C[S@](C)=O)nc[nH+]1 ZINC000164214105 346596441 /nfs/dbraw/zinc/59/64/41/346596441.db2.gz WVIXVYPSWLBIAQ-XXFAHNHDSA-N 1 2 241.360 1.779 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679228626 488322878 /nfs/dbraw/zinc/32/28/78/488322878.db2.gz YKHJOCSUGKKUFE-GHMZBOCLSA-N 1 2 230.327 1.535 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679228626 488322879 /nfs/dbraw/zinc/32/28/79/488322879.db2.gz YKHJOCSUGKKUFE-GHMZBOCLSA-N 1 2 230.327 1.535 20 0 BDADLO Cc1cccc(NC(=O)NCc2[nH+]ccn2C)n1 ZINC000274167613 179134962 /nfs/dbraw/zinc/13/49/62/179134962.db2.gz JPJUCEZERNTBTO-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H](C)[S@]1=O ZINC000589186526 346672186 /nfs/dbraw/zinc/67/21/86/346672186.db2.gz DIEYNQYSGFZFPG-ZYSBLVPFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H](C)[S@]1=O ZINC000589186526 346672189 /nfs/dbraw/zinc/67/21/89/346672189.db2.gz DIEYNQYSGFZFPG-ZYSBLVPFSA-N 1 2 241.360 1.141 20 0 BDADLO CCC[C@H]([NH2+]C[C@H]1CCCO1)C(=O)OCC ZINC000037957762 346711880 /nfs/dbraw/zinc/71/18/80/346711880.db2.gz VJMACQHYRGAGJJ-MNOVXSKESA-N 1 2 229.320 1.487 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000589604217 346717346 /nfs/dbraw/zinc/71/73/46/346717346.db2.gz MGJUQNSCHGHEJP-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000589604217 346717349 /nfs/dbraw/zinc/71/73/49/346717349.db2.gz MGJUQNSCHGHEJP-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccn(C)n1 ZINC000589309925 346690022 /nfs/dbraw/zinc/69/00/22/346690022.db2.gz SUFROBVGZWUEGG-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccn(C)n1 ZINC000589331482 346691433 /nfs/dbraw/zinc/69/14/33/346691433.db2.gz LLDKLJDOQRKFNT-UHFFFAOYSA-N 1 2 232.243 1.076 20 0 BDADLO C[C@](CO)([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000169270374 346758019 /nfs/dbraw/zinc/75/80/19/346758019.db2.gz PUMNAJWAVNGKEJ-CYBMUJFWSA-N 1 2 231.299 1.407 20 0 BDADLO Cc1nnsc1C[N@H+](C)CCn1cccn1 ZINC000571093959 323135142 /nfs/dbraw/zinc/13/51/42/323135142.db2.gz VUWPMELKVJIHAN-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO Cc1nnsc1C[N@@H+](C)CCn1cccn1 ZINC000571093959 323135143 /nfs/dbraw/zinc/13/51/43/323135143.db2.gz VUWPMELKVJIHAN-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO Cc1cccc(OCC[NH2+][C@]2(C)CCOC2=O)c1 ZINC000289521822 179168434 /nfs/dbraw/zinc/16/84/34/179168434.db2.gz LJKZUBAOXXANKV-CQSZACIVSA-N 1 2 249.310 1.669 20 0 BDADLO Cc1csc(C[NH2+][C@@H]2CCn3ccnc32)n1 ZINC000345357250 365862113 /nfs/dbraw/zinc/86/21/13/365862113.db2.gz VSXQWRZLFIGXSB-SECBINFHSA-N 1 2 234.328 1.883 20 0 BDADLO Cc1csc(CN[C@@H]2CCn3cc[nH+]c32)n1 ZINC000345357250 365862118 /nfs/dbraw/zinc/86/21/18/365862118.db2.gz VSXQWRZLFIGXSB-SECBINFHSA-N 1 2 234.328 1.883 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580328237 347162293 /nfs/dbraw/zinc/16/22/93/347162293.db2.gz OWFWTRNNTYHYDR-MWLCHTKSSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580328237 347162296 /nfs/dbraw/zinc/16/22/96/347162296.db2.gz OWFWTRNNTYHYDR-MWLCHTKSSA-N 1 2 221.304 1.599 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](COC)C2CC2)no1 ZINC000183453875 347127424 /nfs/dbraw/zinc/12/74/24/347127424.db2.gz XJUPGRIRGATHSN-JTQLQIEISA-N 1 2 239.319 1.537 20 0 BDADLO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000309665209 347130732 /nfs/dbraw/zinc/13/07/32/347130732.db2.gz HKWFFTMGGCDZSF-SECBINFHSA-N 1 2 225.292 1.097 20 0 BDADLO CCc1nnc(C[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000185147138 347191383 /nfs/dbraw/zinc/19/13/83/347191383.db2.gz KOIVBTWOHSNAPO-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CCc1nnc(C[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000185147138 347191388 /nfs/dbraw/zinc/19/13/88/347191388.db2.gz KOIVBTWOHSNAPO-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO c1c(C[NH2+]Cc2ccccn2)nc2ncccn12 ZINC000641852103 362787112 /nfs/dbraw/zinc/78/71/12/362787112.db2.gz CAMRWKXFOGXGDA-UHFFFAOYSA-N 1 2 239.282 1.414 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000363926744 347188487 /nfs/dbraw/zinc/18/84/87/347188487.db2.gz LCYMAFBOLCLKAD-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC1CCC1)CC2 ZINC000624021748 347235282 /nfs/dbraw/zinc/23/52/82/347235282.db2.gz TUSPIEPDPFOKRT-LBPRGKRZSA-N 1 2 247.342 1.670 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CC=CCC1 ZINC000679323728 488336897 /nfs/dbraw/zinc/33/68/97/488336897.db2.gz VLIJGLHMXGXINW-UHFFFAOYSA-N 1 2 204.273 1.470 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CC=CCC1 ZINC000679323728 488336898 /nfs/dbraw/zinc/33/68/98/488336898.db2.gz VLIJGLHMXGXINW-UHFFFAOYSA-N 1 2 204.273 1.470 20 0 BDADLO Cc1cccc2c1C[N@@H+]([C@H]1CCOC1=O)CC2 ZINC000277089689 179216220 /nfs/dbraw/zinc/21/62/20/179216220.db2.gz FUZQRBNDEKVWJM-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1cccc2c1C[N@H+]([C@H]1CCOC1=O)CC2 ZINC000277089689 179216221 /nfs/dbraw/zinc/21/62/21/179216221.db2.gz FUZQRBNDEKVWJM-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO CCN1CC[N@H+](Cc2ccco2)C(C)(C)C1=O ZINC000190028329 347319159 /nfs/dbraw/zinc/31/91/59/347319159.db2.gz NLJOGJLAWTYDAN-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CCN1CC[N@@H+](Cc2ccco2)C(C)(C)C1=O ZINC000190028329 347319160 /nfs/dbraw/zinc/31/91/60/347319160.db2.gz NLJOGJLAWTYDAN-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1ccsc1 ZINC000616922097 347452506 /nfs/dbraw/zinc/45/25/06/347452506.db2.gz PIWKTICZESBJNH-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1ccsc1 ZINC000616922097 347452508 /nfs/dbraw/zinc/45/25/08/347452508.db2.gz PIWKTICZESBJNH-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO COC1(CC(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000616927623 347455720 /nfs/dbraw/zinc/45/57/20/347455720.db2.gz MJMNRBVOXOETKO-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO COC1(CC(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000616927623 347455721 /nfs/dbraw/zinc/45/57/21/347455721.db2.gz MJMNRBVOXOETKO-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)n1cccc1 ZINC000616924645 347455778 /nfs/dbraw/zinc/45/57/78/347455778.db2.gz QTMJCXDQXVSBMU-LLVKDONJSA-N 1 2 246.314 1.821 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)n1cccc1 ZINC000616924645 347455783 /nfs/dbraw/zinc/45/57/83/347455783.db2.gz QTMJCXDQXVSBMU-LLVKDONJSA-N 1 2 246.314 1.821 20 0 BDADLO Cc1cccc2[nH+]cc(CNc3cnccn3)n21 ZINC000362802462 179232165 /nfs/dbraw/zinc/23/21/65/179232165.db2.gz SXSAGKWDIOZCRL-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364433497 347422536 /nfs/dbraw/zinc/42/25/36/347422536.db2.gz HZLKXFMXCSDGSZ-LLVKDONJSA-N 1 2 235.331 1.560 20 0 BDADLO COCC(COC)Nc1ccc2ccccc2[nH+]1 ZINC000388483396 347423895 /nfs/dbraw/zinc/42/38/95/347423895.db2.gz WVBSNVBMYYCEQC-UHFFFAOYSA-N 1 2 246.310 1.730 20 0 BDADLO CC[C@](C)([NH2+]CCOCC1CCC1)C(=O)OC ZINC000419223491 192106653 /nfs/dbraw/zinc/10/66/53/192106653.db2.gz DCKTZSZOLCACSS-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC(=O)N1 ZINC000628299702 347429873 /nfs/dbraw/zinc/42/98/73/347429873.db2.gz XONZGOHFHABWQD-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CC(=O)N1 ZINC000628299702 347429875 /nfs/dbraw/zinc/42/98/75/347429875.db2.gz XONZGOHFHABWQD-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO COC(=O)C1(C[N@@H+]2CCC[C@H]2C(F)F)CC1 ZINC000590709799 347498863 /nfs/dbraw/zinc/49/88/63/347498863.db2.gz GOPVFWWNCUVRFH-QMMMGPOBSA-N 1 2 233.258 1.669 20 0 BDADLO COC(=O)C1(C[N@H+]2CCC[C@H]2C(F)F)CC1 ZINC000590709799 347498866 /nfs/dbraw/zinc/49/88/66/347498866.db2.gz GOPVFWWNCUVRFH-QMMMGPOBSA-N 1 2 233.258 1.669 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928797 347495997 /nfs/dbraw/zinc/49/59/97/347495997.db2.gz MTBRTUMDLHTHHT-GXSJLCMTSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928797 347495998 /nfs/dbraw/zinc/49/59/98/347495998.db2.gz MTBRTUMDLHTHHT-GXSJLCMTSA-N 1 2 239.319 1.429 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C(C)(F)F ZINC000616929313 347496622 /nfs/dbraw/zinc/49/66/22/347496622.db2.gz XYNJDWANSLQPAZ-SSDOTTSWSA-N 1 2 231.246 1.659 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000616929313 347496624 /nfs/dbraw/zinc/49/66/24/347496624.db2.gz XYNJDWANSLQPAZ-SSDOTTSWSA-N 1 2 231.246 1.659 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616927009 347459432 /nfs/dbraw/zinc/45/94/32/347459432.db2.gz YEOAUHCQXSZSJV-VHSXEESVSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616927009 347459433 /nfs/dbraw/zinc/45/94/33/347459433.db2.gz YEOAUHCQXSZSJV-VHSXEESVSA-N 1 2 221.304 1.804 20 0 BDADLO CC[C@H](C)OCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926993 347459628 /nfs/dbraw/zinc/45/96/28/347459628.db2.gz XVAGGLOOYRXPJI-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@H](C)OCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926993 347459630 /nfs/dbraw/zinc/45/96/30/347459630.db2.gz XVAGGLOOYRXPJI-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602774 347475999 /nfs/dbraw/zinc/47/59/99/347475999.db2.gz WWGRMBGXOMYBQN-LLVKDONJSA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602774 347476000 /nfs/dbraw/zinc/47/60/00/347476000.db2.gz WWGRMBGXOMYBQN-LLVKDONJSA-N 1 2 234.299 1.434 20 0 BDADLO CCOC(=O)CCCN1CCn2c[nH+]cc2C1 ZINC000590599064 347479327 /nfs/dbraw/zinc/47/93/27/347479327.db2.gz GBGZTXFCCAKRSY-UHFFFAOYSA-N 1 2 237.303 1.042 20 0 BDADLO CCOC(=O)[C@@H](CC)N1CCc2[nH+]c[nH]c2C1 ZINC000590600153 347480254 /nfs/dbraw/zinc/48/02/54/347480254.db2.gz LJSKYVUTPXHTTJ-LLVKDONJSA-N 1 2 237.303 1.110 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)[C@@H]1CCCOC1 ZINC000571582033 323148536 /nfs/dbraw/zinc/14/85/36/323148536.db2.gz XNTTWTXOWMOUHF-LLVKDONJSA-N 1 2 221.304 1.709 20 0 BDADLO CC(C)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590845213 347573167 /nfs/dbraw/zinc/57/31/67/347573167.db2.gz GDPSUSMAUPCJIB-NSHDSACASA-N 1 2 236.319 1.638 20 0 BDADLO Cn1ccc(C[N@H+](C)CC(F)F)cc1=O ZINC000590942733 347590530 /nfs/dbraw/zinc/59/05/30/347590530.db2.gz DJUYZUSWDDOEHP-UHFFFAOYSA-N 1 2 216.231 1.082 20 0 BDADLO Cn1ccc(C[N@@H+](C)CC(F)F)cc1=O ZINC000590942733 347590534 /nfs/dbraw/zinc/59/05/34/347590534.db2.gz DJUYZUSWDDOEHP-UHFFFAOYSA-N 1 2 216.231 1.082 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]C1CSC1 ZINC000591263388 347636100 /nfs/dbraw/zinc/63/61/00/347636100.db2.gz NMDXWONKQQNUKY-SECBINFHSA-N 1 2 215.318 1.033 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)NC(C)(C)C ZINC000198416002 347637248 /nfs/dbraw/zinc/63/72/48/347637248.db2.gz RLPIEGSLOQETMW-LLVKDONJSA-N 1 2 249.358 1.779 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000198416002 347637252 /nfs/dbraw/zinc/63/72/52/347637252.db2.gz RLPIEGSLOQETMW-LLVKDONJSA-N 1 2 249.358 1.779 20 0 BDADLO CC1(C)C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CO1 ZINC000617049028 347637420 /nfs/dbraw/zinc/63/74/20/347637420.db2.gz YXVYKCWEDJBSPU-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1ccccc1C[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000276429363 179270051 /nfs/dbraw/zinc/27/00/51/179270051.db2.gz YKEZIKSBHDRERJ-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccccc1C[N@H+](C)[C@@H](C)c1nnnn1C ZINC000276429363 179270052 /nfs/dbraw/zinc/27/00/52/179270052.db2.gz YKEZIKSBHDRERJ-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cn1cnc2c1CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC000591919917 347710588 /nfs/dbraw/zinc/71/05/88/347710588.db2.gz XNWXLTAPAUBLOF-NSHDSACASA-N 1 2 235.331 1.347 20 0 BDADLO Cn1cnc2c1CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000591919917 347710589 /nfs/dbraw/zinc/71/05/89/347710589.db2.gz XNWXLTAPAUBLOF-NSHDSACASA-N 1 2 235.331 1.347 20 0 BDADLO Cn1c[nH+]c2c1CCN(C[C@@H]1CCCCO1)C2 ZINC000591919917 347710590 /nfs/dbraw/zinc/71/05/90/347710590.db2.gz XNWXLTAPAUBLOF-NSHDSACASA-N 1 2 235.331 1.347 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592366124 347774703 /nfs/dbraw/zinc/77/47/03/347774703.db2.gz YCGGMFUPLJVHLL-LPEHRKFASA-N 1 2 229.320 1.484 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H](CC(C)C)OC ZINC000419190016 192108518 /nfs/dbraw/zinc/10/85/18/192108518.db2.gz MEKOJXJLZBNECL-JTQLQIEISA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592187653 347760837 /nfs/dbraw/zinc/76/08/37/347760837.db2.gz JZVJMYFZHPFVMU-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592187653 347760840 /nfs/dbraw/zinc/76/08/40/347760840.db2.gz JZVJMYFZHPFVMU-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO c1cn(CCSc2cnccn2)c[nH+]1 ZINC000534934016 323162153 /nfs/dbraw/zinc/16/21/53/323162153.db2.gz FSXQZOJJZNWDTH-UHFFFAOYSA-N 1 2 206.274 1.465 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1nccs1 ZINC000577295672 365920878 /nfs/dbraw/zinc/92/08/78/365920878.db2.gz UMFXMLUJJALHDA-UHFFFAOYSA-N 1 2 220.301 1.584 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000592515071 347793516 /nfs/dbraw/zinc/79/35/16/347793516.db2.gz NDDLPYBGUGHYPL-UTLUCORTSA-N 1 2 215.293 1.094 20 0 BDADLO Cc1ccccc1OCC[N@@H+](C)Cc1cnn[nH]1 ZINC000284303014 179310732 /nfs/dbraw/zinc/31/07/32/179310732.db2.gz ORMGDWFIRNQPGA-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1ccccc1OCC[N@H+](C)Cc1cnn[nH]1 ZINC000284303014 179310734 /nfs/dbraw/zinc/31/07/34/179310734.db2.gz ORMGDWFIRNQPGA-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1ccccc1OCC[N@@H+](C)Cc1c[nH]nn1 ZINC000284303014 179310737 /nfs/dbraw/zinc/31/07/37/179310737.db2.gz ORMGDWFIRNQPGA-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1ccccc1OCC[N@H+](C)Cc1c[nH]nn1 ZINC000284303014 179310739 /nfs/dbraw/zinc/31/07/39/179310739.db2.gz ORMGDWFIRNQPGA-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333428830 537992840 /nfs/dbraw/zinc/99/28/40/537992840.db2.gz TZBBFWQVDWKQHH-ILWJIGKKSA-N 1 2 234.303 1.018 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1CCOCC1CCC1 ZINC000419270563 192110001 /nfs/dbraw/zinc/11/00/01/192110001.db2.gz QWLYLTHYKQTCPU-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1CCOCC1CCC1 ZINC000419270563 192110003 /nfs/dbraw/zinc/11/00/03/192110003.db2.gz QWLYLTHYKQTCPU-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@@H](CC)C(=O)OC)C1 ZINC000594722439 348107747 /nfs/dbraw/zinc/10/77/47/348107747.db2.gz QBUMVKOWWHQYEF-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1ccc[nH+]c1C ZINC000594961426 348151609 /nfs/dbraw/zinc/15/16/09/348151609.db2.gz ZOZWJNBCQYUESS-JMJZKYOTSA-N 1 2 234.299 2.000 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594920138 348154627 /nfs/dbraw/zinc/15/46/27/348154627.db2.gz DENGHZZYWJWKKL-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO c1cc(C[NH2+]CCc2cscn2)[nH]n1 ZINC000082626316 348170850 /nfs/dbraw/zinc/17/08/50/348170850.db2.gz MHQUZULTBYDPAO-UHFFFAOYSA-N 1 2 208.290 1.199 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c(C)o1 ZINC000595423043 348245288 /nfs/dbraw/zinc/24/52/88/348245288.db2.gz DIBRBMNJKZOVRH-PWJLMRLQSA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c(C)o1 ZINC000595423043 348245292 /nfs/dbraw/zinc/24/52/92/348245292.db2.gz DIBRBMNJKZOVRH-PWJLMRLQSA-N 1 2 244.360 1.490 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1nccn1C ZINC000419246753 192114173 /nfs/dbraw/zinc/11/41/73/192114173.db2.gz WIVKQTCNNCPERD-GFCCVEGCSA-N 1 2 239.363 1.913 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1nccn1C ZINC000419246753 192114175 /nfs/dbraw/zinc/11/41/75/192114175.db2.gz WIVKQTCNNCPERD-GFCCVEGCSA-N 1 2 239.363 1.913 20 0 BDADLO CC[C@](COC)([NH2+]CCC=C(C)C)C(=O)OC ZINC000595528684 348272711 /nfs/dbraw/zinc/27/27/11/348272711.db2.gz DEWFJBNIOHTPQN-CYBMUJFWSA-N 1 2 243.347 1.901 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCCC1CCC1 ZINC000595534306 348275230 /nfs/dbraw/zinc/27/52/30/348275230.db2.gz SHRAFWMTGYOFCR-LBPRGKRZSA-N 1 2 229.320 1.080 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@H](CC)OC)no1 ZINC000419290648 192117624 /nfs/dbraw/zinc/11/76/24/192117624.db2.gz KLVRFYWMBMYYLJ-VIFPVBQESA-N 1 2 241.335 1.882 20 0 BDADLO CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595675847 348310157 /nfs/dbraw/zinc/31/01/57/348310157.db2.gz DEWDPHNNKFWMHT-GFCCVEGCSA-N 1 2 237.299 1.861 20 0 BDADLO CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595675847 348310159 /nfs/dbraw/zinc/31/01/59/348310159.db2.gz DEWDPHNNKFWMHT-GFCCVEGCSA-N 1 2 237.299 1.861 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCOC1CCC1 ZINC000595773235 348337359 /nfs/dbraw/zinc/33/73/59/348337359.db2.gz DIAXNNRPUSHSTE-GFCCVEGCSA-N 1 2 247.310 1.436 20 0 BDADLO CC(C)(C)OC(=O)[C@@]1([NH2+]CC2CC2)CCOC1 ZINC000595744517 348339720 /nfs/dbraw/zinc/33/97/20/348339720.db2.gz QVVMPGUQAWHVRS-CYBMUJFWSA-N 1 2 241.331 1.487 20 0 BDADLO Cc1cc(N[C@@H](C)CC(C)(C)O)nc[nH+]1 ZINC000395018012 323185200 /nfs/dbraw/zinc/18/52/00/323185200.db2.gz MFAOFIPPYXBPHR-VIFPVBQESA-N 1 2 209.293 1.746 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2nncs2)CCO1 ZINC000188242546 259403615 /nfs/dbraw/zinc/40/36/15/259403615.db2.gz QRFTUZGWZZPGQQ-MRVPVSSYSA-N 1 2 245.373 1.351 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2nncs2)CCO1 ZINC000188242546 259403616 /nfs/dbraw/zinc/40/36/16/259403616.db2.gz QRFTUZGWZZPGQQ-MRVPVSSYSA-N 1 2 245.373 1.351 20 0 BDADLO CSCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596661130 348601080 /nfs/dbraw/zinc/60/10/80/348601080.db2.gz FWBOEBRZOLGCSG-RKDXNWHRSA-N 1 2 239.344 1.003 20 0 BDADLO c1cn([C@H]2CCCN(c3ncccn3)C2)c[nH+]1 ZINC000597182802 348682138 /nfs/dbraw/zinc/68/21/38/348682138.db2.gz BQPNSRYWAYPXIY-NSHDSACASA-N 1 2 229.287 1.515 20 0 BDADLO CCC[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OCC ZINC000396601722 348771789 /nfs/dbraw/zinc/77/17/89/348771789.db2.gz VGANUDBLQXAFLS-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000597764154 348819346 /nfs/dbraw/zinc/81/93/46/348819346.db2.gz QCVBZKGIJMAAQL-GFCCVEGCSA-N 1 2 244.298 1.689 20 0 BDADLO CC[C@H](SC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597864567 348837260 /nfs/dbraw/zinc/83/72/60/348837260.db2.gz QGEDMUWLVAQELN-VIFPVBQESA-N 1 2 227.333 1.510 20 0 BDADLO CC[C@H](SC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597864567 348837261 /nfs/dbraw/zinc/83/72/61/348837261.db2.gz QGEDMUWLVAQELN-VIFPVBQESA-N 1 2 227.333 1.510 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OCC ZINC000401986030 349038806 /nfs/dbraw/zinc/03/88/06/349038806.db2.gz BTDIQBYLZVYHGO-MXWKQRLJSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)C1 ZINC000563897379 323205568 /nfs/dbraw/zinc/20/55/68/323205568.db2.gz WKZQDOBMFYVMNK-VIFPVBQESA-N 1 2 207.277 1.067 20 0 BDADLO C[C@H]1CC(=O)NCCN1c1cc[nH+]c(C2CC2)n1 ZINC000599114561 349100181 /nfs/dbraw/zinc/10/01/81/349100181.db2.gz MMQUSOUCIRIZLN-VIFPVBQESA-N 1 2 246.314 1.069 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)c1ccncc1 ZINC000151223727 538024930 /nfs/dbraw/zinc/02/49/30/538024930.db2.gz YOXAEYGKWLYSEK-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598942422 349062906 /nfs/dbraw/zinc/06/29/06/349062906.db2.gz AGWIVGXIPPZGHH-PSASIEDQSA-N 1 2 239.344 1.066 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCF ZINC000532242690 323211760 /nfs/dbraw/zinc/21/17/60/323211760.db2.gz RPKJNHGVKGUQKL-VIFPVBQESA-N 1 2 235.324 1.327 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCF ZINC000532242690 323211761 /nfs/dbraw/zinc/21/17/61/323211761.db2.gz RPKJNHGVKGUQKL-VIFPVBQESA-N 1 2 235.324 1.327 20 0 BDADLO FC(F)C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623521944 362943332 /nfs/dbraw/zinc/94/33/32/362943332.db2.gz PYKZESCXOFMGGR-UHFFFAOYSA-N 1 2 211.215 1.918 20 0 BDADLO CO[C@@H](C)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599650596 349234123 /nfs/dbraw/zinc/23/41/23/349234123.db2.gz UAMVJXSNXQHVTK-VIFPVBQESA-N 1 2 231.336 1.731 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCC(C)(C)O ZINC000599653341 349234577 /nfs/dbraw/zinc/23/45/77/349234577.db2.gz VNBLONFNGCHQRN-UHFFFAOYSA-N 1 2 245.363 1.857 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512601 349204163 /nfs/dbraw/zinc/20/41/63/349204163.db2.gz LGDWJFHHBZMQCV-DTORHVGOSA-N 1 2 235.274 1.773 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512601 349204165 /nfs/dbraw/zinc/20/41/65/349204165.db2.gz LGDWJFHHBZMQCV-DTORHVGOSA-N 1 2 235.274 1.773 20 0 BDADLO O[C@@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000599516510 349205454 /nfs/dbraw/zinc/20/54/54/349205454.db2.gz HLZAJCUEUPSBAM-WDEREUQCSA-N 1 2 233.315 1.491 20 0 BDADLO COC(=O)[C@@H]1CCCCN1Cc1[nH]cc(C)[nH+]1 ZINC000600106424 349287962 /nfs/dbraw/zinc/28/79/62/349287962.db2.gz ZAWDVOPLVDMDOB-JTQLQIEISA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105742 349292731 /nfs/dbraw/zinc/29/27/31/349292731.db2.gz VDQWVOMDAWDAMI-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105742 349292734 /nfs/dbraw/zinc/29/27/34/349292734.db2.gz VDQWVOMDAWDAMI-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO CCCCc1cc(N[C@H](CO)CCF)nc[nH+]1 ZINC000631339538 349265346 /nfs/dbraw/zinc/26/53/46/349265346.db2.gz ATMBIGRRSFMMHJ-NSHDSACASA-N 1 2 241.310 1.952 20 0 BDADLO CC[C@@H]([NH2+]CCc1cccc(C)n1)C(=O)OC ZINC000281097679 349337095 /nfs/dbraw/zinc/33/70/95/349337095.db2.gz WMMJQIDQARRUAO-GFCCVEGCSA-N 1 2 236.315 1.474 20 0 BDADLO CCc1nc(C[NH2+]Cc2cn[nH]c2)cs1 ZINC000309033037 349369848 /nfs/dbraw/zinc/36/98/48/349369848.db2.gz GFHXLBRGWHRCRO-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc2c1CCC2 ZINC000061277165 349373640 /nfs/dbraw/zinc/37/36/40/349373640.db2.gz YXODEVFQRUSMCF-JTQLQIEISA-N 1 2 243.314 1.662 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1[nH+]cccc1OC ZINC000128681703 350025779 /nfs/dbraw/zinc/02/57/79/350025779.db2.gz SGXLWUIUEMJYBT-VIFPVBQESA-N 1 2 238.287 1.336 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785457 350033078 /nfs/dbraw/zinc/03/30/78/350033078.db2.gz PFOYZZMUTRSBMI-VIFPVBQESA-N 1 2 233.271 1.698 20 0 BDADLO CCCCc1noc(C[N@@H+]2CCCOCC2)n1 ZINC000363436435 191002314 /nfs/dbraw/zinc/00/23/14/191002314.db2.gz KIWPOBGJNCEHNE-UHFFFAOYSA-N 1 2 239.319 1.635 20 0 BDADLO CCCCc1noc(C[N@H+]2CCCOCC2)n1 ZINC000363436435 191002317 /nfs/dbraw/zinc/00/23/17/191002317.db2.gz KIWPOBGJNCEHNE-UHFFFAOYSA-N 1 2 239.319 1.635 20 0 BDADLO COCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000352681063 538043604 /nfs/dbraw/zinc/04/36/04/538043604.db2.gz ZIQKFBBTVAKPOL-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO COCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000352681063 538043610 /nfs/dbraw/zinc/04/36/10/538043610.db2.gz ZIQKFBBTVAKPOL-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000051736236 350080692 /nfs/dbraw/zinc/08/06/92/350080692.db2.gz OBFGEDLMGZVMPT-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000051736236 350080694 /nfs/dbraw/zinc/08/06/94/350080694.db2.gz OBFGEDLMGZVMPT-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)no1 ZINC000603808815 350036419 /nfs/dbraw/zinc/03/64/19/350036419.db2.gz IMDJFZSGMHIFIW-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CCCOCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884055 350047543 /nfs/dbraw/zinc/04/75/43/350047543.db2.gz PNEHBEJBAKCLCJ-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000026450958 350053797 /nfs/dbraw/zinc/05/37/97/350053797.db2.gz HEEDXROEIPVFPS-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@@H]1COCC[N@H+]1CC(=O)NCc1ccccc1 ZINC000026450958 350053801 /nfs/dbraw/zinc/05/38/01/350053801.db2.gz HEEDXROEIPVFPS-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO CCCCNC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000603979005 350064289 /nfs/dbraw/zinc/06/42/89/350064289.db2.gz LBGBYYKGUBOXBQ-UHFFFAOYSA-N 1 2 236.319 1.288 20 0 BDADLO CS[C@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000291538773 350065238 /nfs/dbraw/zinc/06/52/38/350065238.db2.gz XEUBLMUGARKKOA-MRVPVSSYSA-N 1 2 227.333 1.178 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H]([C@@H](C)O)C2)[nH+]1 ZINC000355560464 180003929 /nfs/dbraw/zinc/00/39/29/180003929.db2.gz CAKANDFWSDAOOB-PSASIEDQSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)no1 ZINC000278575553 180037666 /nfs/dbraw/zinc/03/76/66/180037666.db2.gz JQLAVPCUMMQLJP-RKDXNWHRSA-N 1 2 235.291 1.314 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)no1 ZINC000362386149 180042228 /nfs/dbraw/zinc/04/22/28/180042228.db2.gz ODCLXHBYFJCTTI-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)no1 ZINC000362386149 180042231 /nfs/dbraw/zinc/04/22/31/180042231.db2.gz ODCLXHBYFJCTTI-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)no1 ZINC000362386149 180042233 /nfs/dbraw/zinc/04/22/33/180042233.db2.gz ODCLXHBYFJCTTI-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)no1 ZINC000362386149 180042235 /nfs/dbraw/zinc/04/22/35/180042235.db2.gz ODCLXHBYFJCTTI-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000368593534 180047466 /nfs/dbraw/zinc/04/74/66/180047466.db2.gz OZRWZFPLZRDSAF-QPUJVOFHSA-N 1 2 237.303 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000368593534 180047468 /nfs/dbraw/zinc/04/74/68/180047468.db2.gz OZRWZFPLZRDSAF-QPUJVOFHSA-N 1 2 237.303 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)no1 ZINC000352351402 180047937 /nfs/dbraw/zinc/04/79/37/180047937.db2.gz XSPPRMKCCBDVRN-IONNQARKSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)no1 ZINC000352351402 180047939 /nfs/dbraw/zinc/04/79/39/180047939.db2.gz XSPPRMKCCBDVRN-IONNQARKSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CC(=O)NC(C)C)cs1 ZINC000036915638 180049456 /nfs/dbraw/zinc/04/94/56/180049456.db2.gz OXEZMYIOCYUVKV-QMMMGPOBSA-N 1 2 241.360 1.627 20 0 BDADLO Cc1nc2c(c(N3CCOCCN3)[nH+]1)CCCC2 ZINC000295688955 180067805 /nfs/dbraw/zinc/06/78/05/180067805.db2.gz NUZJSWQKTGYNFX-UHFFFAOYSA-N 1 2 248.330 1.005 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)[C@H]2CCOC2)[nH+]1 ZINC000359299923 180059957 /nfs/dbraw/zinc/05/99/57/180059957.db2.gz RHSMEUADUNCOCY-SCZZXKLOSA-N 1 2 246.314 1.525 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2cn[nH]c2)[nH+]1 ZINC000339699962 180060406 /nfs/dbraw/zinc/06/04/06/180060406.db2.gz GCUHILHQSIGXAW-ZETCQYMHSA-N 1 2 242.286 1.584 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](CO)C2CC2)[nH+]1 ZINC000357780751 180060449 /nfs/dbraw/zinc/06/04/49/180060449.db2.gz JSUSFFVMKRDGSS-JTQLQIEISA-N 1 2 246.314 1.119 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000295304514 180070336 /nfs/dbraw/zinc/07/03/36/180070336.db2.gz KGNDANITEHNOHA-AOOOYVTPSA-N 1 2 233.315 1.599 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C[C@@H](O)C(C)C)C2 ZINC000374093034 180109077 /nfs/dbraw/zinc/10/90/77/180109077.db2.gz HNXMAGLAGJADMP-GFCCVEGCSA-N 1 2 237.347 1.332 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+](C[C@@H](O)C(C)C)C2 ZINC000374093034 180109078 /nfs/dbraw/zinc/10/90/78/180109078.db2.gz HNXMAGLAGJADMP-GFCCVEGCSA-N 1 2 237.347 1.332 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+](C[C@@H](O)C(C)C)C2 ZINC000374093034 180109080 /nfs/dbraw/zinc/10/90/80/180109080.db2.gz HNXMAGLAGJADMP-GFCCVEGCSA-N 1 2 237.347 1.332 20 0 BDADLO Cc1[nH]c(C(=O)NCCCOC(F)F)c[nH+]1 ZINC000338159260 180130012 /nfs/dbraw/zinc/13/00/12/180130012.db2.gz CGJPXQQSIZVRMY-UHFFFAOYSA-N 1 2 233.218 1.077 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncc(C)cc1O ZINC000427225337 191056994 /nfs/dbraw/zinc/05/69/94/191056994.db2.gz OGYQNXGSVDOVML-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC[C@H]2C(N)=O)s1 ZINC000299135001 180144141 /nfs/dbraw/zinc/14/41/41/180144141.db2.gz OHIBWNQJLSQDOC-JTQLQIEISA-N 1 2 239.344 1.291 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC[C@H]2C(N)=O)s1 ZINC000299135001 180144143 /nfs/dbraw/zinc/14/41/43/180144143.db2.gz OHIBWNQJLSQDOC-JTQLQIEISA-N 1 2 239.344 1.291 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000333074704 180118771 /nfs/dbraw/zinc/11/87/71/180118771.db2.gz VRVOKYCOHRAKLN-VHSXEESVSA-N 1 2 219.288 1.380 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(O)c1 ZINC000334857772 180119379 /nfs/dbraw/zinc/11/93/79/180119379.db2.gz BQCVFKHIUWOHMU-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1C[C@@H]1C ZINC000354925293 180120297 /nfs/dbraw/zinc/12/02/97/180120297.db2.gz SXITUSHVJBMLNP-IONNQARKSA-N 1 2 207.277 1.380 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCSC1 ZINC000336583618 180120533 /nfs/dbraw/zinc/12/05/33/180120533.db2.gz UCEDIUABHDAGSZ-QMMMGPOBSA-N 1 2 225.317 1.087 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccco1 ZINC000335845639 180120783 /nfs/dbraw/zinc/12/07/83/180120783.db2.gz BHLPDTPMUMVQMQ-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccoc1C ZINC000334508692 180122122 /nfs/dbraw/zinc/12/21/22/180122122.db2.gz PNLHWJXHWWZCHT-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cnc(C)[nH]c2=O)no1 ZINC000353662460 180153668 /nfs/dbraw/zinc/15/36/68/180153668.db2.gz RNSAWPDIYNBOER-QMMMGPOBSA-N 1 2 248.286 1.638 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1ccco1 ZINC000604886708 350194133 /nfs/dbraw/zinc/19/41/33/350194133.db2.gz ODHKWIBJWMNHIU-NSHDSACASA-N 1 2 247.298 1.587 20 0 BDADLO CC(=O)N1CCC(CNc2cccc[nH+]2)CC1 ZINC000104660862 191066052 /nfs/dbraw/zinc/06/60/52/191066052.db2.gz DRKNHZULDYHOSG-UHFFFAOYSA-N 1 2 233.315 1.752 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cn1 ZINC000352411912 180146300 /nfs/dbraw/zinc/14/63/00/180146300.db2.gz AELJKZLEJMLESE-DCAQKATOSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cn1 ZINC000352411912 180146303 /nfs/dbraw/zinc/14/63/03/180146303.db2.gz AELJKZLEJMLESE-DCAQKATOSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccnc2C)no1 ZINC000309209149 350191328 /nfs/dbraw/zinc/19/13/28/350191328.db2.gz GSPYGCYKMBWPBK-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO Cc1nc(NCCCC(=O)NC2CC2)cc[nH+]1 ZINC000090794494 180198098 /nfs/dbraw/zinc/19/80/98/180198098.db2.gz XZMWEHHWVRRXDN-UHFFFAOYSA-N 1 2 234.303 1.256 20 0 BDADLO Cc1nc(NC[C@H]2CCSC2)cc[nH+]1 ZINC000228581157 180200817 /nfs/dbraw/zinc/20/08/17/180200817.db2.gz NCCFCTBKMKPCQM-SECBINFHSA-N 1 2 209.318 1.950 20 0 BDADLO Cc1nc(NCCc2csc(=O)[nH]2)cc[nH+]1 ZINC000276603320 180201210 /nfs/dbraw/zinc/20/12/10/180201210.db2.gz RKDIFXOOBXQZFD-UHFFFAOYSA-N 1 2 236.300 1.189 20 0 BDADLO Cc1nc(NC[C@@H]2COC3(CCCC3)O2)cc[nH+]1 ZINC000271390464 180201334 /nfs/dbraw/zinc/20/13/34/180201334.db2.gz RDXWISIXBWKVNA-LLVKDONJSA-N 1 2 249.314 1.883 20 0 BDADLO Cc1nc(N[C@@H](C)c2nc[nH]n2)cc[nH+]1 ZINC000226500182 180201958 /nfs/dbraw/zinc/20/19/58/180201958.db2.gz FHABBWUZFIBEIZ-LURJTMIESA-N 1 2 204.237 1.076 20 0 BDADLO Cc1nc(N[C@@H]2CCCCC[C@H]2O)cc[nH+]1 ZINC000130818357 180202797 /nfs/dbraw/zinc/20/27/97/180202797.db2.gz KWIPAZYXVMANSZ-GHMZBOCLSA-N 1 2 221.304 1.891 20 0 BDADLO Cc1nc(NCc2nnc3n2CCCC3)cc[nH+]1 ZINC000266378699 180203648 /nfs/dbraw/zinc/20/36/48/180203648.db2.gz MPBGRIQVXSJGHH-UHFFFAOYSA-N 1 2 244.302 1.325 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000054936526 180203722 /nfs/dbraw/zinc/20/37/22/180203722.db2.gz OTUKWWUHINIJEZ-NXEZZACHSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@H]2C(N)=O)cc[nH+]1 ZINC000154046244 180204027 /nfs/dbraw/zinc/20/40/27/180204027.db2.gz ZPFIUUIAZWTGSS-NXEZZACHSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1nc(N[C@H](C)CO[C@H]2CCOC2)cc[nH+]1 ZINC000133751249 180204744 /nfs/dbraw/zinc/20/47/44/180204744.db2.gz WOYVVNFSQWXATL-KOLCDFICSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1nc(N[C@H](C)CN2CCCC2=O)cc[nH+]1 ZINC000266374951 180206092 /nfs/dbraw/zinc/20/60/92/180206092.db2.gz MHCMIHKMENASAW-SECBINFHSA-N 1 2 234.303 1.208 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000298634587 180206553 /nfs/dbraw/zinc/20/65/53/180206553.db2.gz QVAMJYCUXKSDTG-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@H]2CSC[C@@H]2C)cc[nH+]1 ZINC000306592872 180207464 /nfs/dbraw/zinc/20/74/64/180207464.db2.gz IMMOLKRRBGJWBV-CBAPKCEASA-N 1 2 209.318 1.948 20 0 BDADLO Cc1nc(NCCOc2cccc(F)c2)cc[nH+]1 ZINC000360529729 180181677 /nfs/dbraw/zinc/18/16/77/180181677.db2.gz NDBSGFZJUYYOSM-UHFFFAOYSA-N 1 2 247.273 1.837 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)n1 ZINC000373612439 180186382 /nfs/dbraw/zinc/18/63/82/180186382.db2.gz RMMBVFOYNQKERN-IINYFYTJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)n1 ZINC000373612439 180186384 /nfs/dbraw/zinc/18/63/84/180186384.db2.gz RMMBVFOYNQKERN-IINYFYTJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1[nH+]ccn1CCCN(C)C(=O)c1cnc[nH]1 ZINC000269518006 180235791 /nfs/dbraw/zinc/23/57/91/180235791.db2.gz KTAKEZDDJBRISS-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C23CC(C2)C3)C1 ZINC000626269773 350241219 /nfs/dbraw/zinc/24/12/19/350241219.db2.gz BNUPLIUUKYWYGB-IQLKVPPVSA-N 1 2 245.326 1.536 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccccc1F ZINC000037977564 350297215 /nfs/dbraw/zinc/29/72/15/350297215.db2.gz UFLSCEKQIOVYEA-UHFFFAOYSA-N 1 2 247.273 1.831 20 0 BDADLO CC(C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365520450 350327478 /nfs/dbraw/zinc/32/74/78/350327478.db2.gz GNTVLEHRYOBHIL-LLVKDONJSA-N 1 2 235.331 1.782 20 0 BDADLO Cc1ncsc1C[N@@H+](CC(N)=O)C(C)C ZINC000179660216 180315348 /nfs/dbraw/zinc/31/53/48/180315348.db2.gz NORNQSMHAVAVSK-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO Cc1ncsc1C[N@H+](CC(N)=O)C(C)C ZINC000179660216 180315350 /nfs/dbraw/zinc/31/53/50/180315350.db2.gz NORNQSMHAVAVSK-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000606540877 350357445 /nfs/dbraw/zinc/35/74/45/350357445.db2.gz PFTCPYFAWCOSJB-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000606540877 350357446 /nfs/dbraw/zinc/35/74/46/350357446.db2.gz PFTCPYFAWCOSJB-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCOCC1 ZINC000606583631 350373509 /nfs/dbraw/zinc/37/35/09/350373509.db2.gz ISKZEIWGTNJUPH-UHFFFAOYSA-N 1 2 246.270 1.198 20 0 BDADLO CCCC[N@H+](CCOC)Cc1nnc(C)[nH]1 ZINC000428213826 191098991 /nfs/dbraw/zinc/09/89/91/191098991.db2.gz AEGYRDCSKOZDLU-UHFFFAOYSA-N 1 2 226.324 1.362 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1nnc(C)[nH]1 ZINC000428213826 191098994 /nfs/dbraw/zinc/09/89/94/191098994.db2.gz AEGYRDCSKOZDLU-UHFFFAOYSA-N 1 2 226.324 1.362 20 0 BDADLO CC1(C)OCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000328291801 350396017 /nfs/dbraw/zinc/39/60/17/350396017.db2.gz CCLKAJONOMUGSI-ZCFIWIBFSA-N 1 2 242.710 1.692 20 0 BDADLO CC1(C)OCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000328291801 350396020 /nfs/dbraw/zinc/39/60/20/350396020.db2.gz CCLKAJONOMUGSI-ZCFIWIBFSA-N 1 2 242.710 1.692 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCCOC3)[nH+]c1C ZINC000628307038 350439555 /nfs/dbraw/zinc/43/95/55/350439555.db2.gz KIWQILBPVYNZST-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO Cc1nc(C[NH+]2CC3(C2)CCCOC3)[nH]c1C ZINC000628307038 350439558 /nfs/dbraw/zinc/43/95/58/350439558.db2.gz KIWQILBPVYNZST-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO CC[N@H+](Cc1nnc(C)o1)Cc1ccncc1 ZINC000336692824 350448844 /nfs/dbraw/zinc/44/88/44/350448844.db2.gz IUSPRUKNFIUZPQ-UHFFFAOYSA-N 1 2 232.287 1.795 20 0 BDADLO CC[N@@H+](Cc1nnc(C)o1)Cc1ccncc1 ZINC000336692824 350448846 /nfs/dbraw/zinc/44/88/46/350448846.db2.gz IUSPRUKNFIUZPQ-UHFFFAOYSA-N 1 2 232.287 1.795 20 0 BDADLO Cc1nn(C)c2ncc(NCc3[nH]cc[nH+]3)cc12 ZINC000049715235 180365239 /nfs/dbraw/zinc/36/52/39/180365239.db2.gz KVRLXCJRLPFYTJ-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO CC[N@H+](Cc1nc(C(C)C)no1)[C@@H]1CCOC1 ZINC000336720579 350476490 /nfs/dbraw/zinc/47/64/90/350476490.db2.gz SDTLLNKIMULFER-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)C)no1)[C@@H]1CCOC1 ZINC000336720579 350476494 /nfs/dbraw/zinc/47/64/94/350476494.db2.gz SDTLLNKIMULFER-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@@H](C)c1cccnc1 ZINC000336783940 350512404 /nfs/dbraw/zinc/51/24/04/350512404.db2.gz LLRHLUIMVKAVKI-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@@H](C)c1cccnc1 ZINC000336783940 350512410 /nfs/dbraw/zinc/51/24/10/350512410.db2.gz LLRHLUIMVKAVKI-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC(=O)N(C)C1 ZINC000443852876 191110291 /nfs/dbraw/zinc/11/02/91/191110291.db2.gz LVOUPMQYNCIZBQ-NWDGAFQWSA-N 1 2 222.332 1.710 20 0 BDADLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC(=O)N(C)C1 ZINC000443852876 191110293 /nfs/dbraw/zinc/11/02/93/191110293.db2.gz LVOUPMQYNCIZBQ-NWDGAFQWSA-N 1 2 222.332 1.710 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936934 350629602 /nfs/dbraw/zinc/62/96/02/350629602.db2.gz SHWTVSZEZQYDFA-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936934 350629605 /nfs/dbraw/zinc/62/96/05/350629605.db2.gz SHWTVSZEZQYDFA-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936935 350629829 /nfs/dbraw/zinc/62/98/29/350629829.db2.gz SHWTVSZEZQYDFA-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936935 350629833 /nfs/dbraw/zinc/62/98/33/350629833.db2.gz SHWTVSZEZQYDFA-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000096867273 350684383 /nfs/dbraw/zinc/68/43/83/350684383.db2.gz LZQBHCCIXVBEQD-MRVPVSSYSA-N 1 2 239.237 1.966 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000096867273 350684388 /nfs/dbraw/zinc/68/43/88/350684388.db2.gz LZQBHCCIXVBEQD-MRVPVSSYSA-N 1 2 239.237 1.966 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H](C)CO ZINC000339633761 350770394 /nfs/dbraw/zinc/77/03/94/350770394.db2.gz WXGQVEXOPJGUMT-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H](C)CO ZINC000339633761 350770396 /nfs/dbraw/zinc/77/03/96/350770396.db2.gz WXGQVEXOPJGUMT-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)o1)[C@H](C)CO ZINC000339631862 350770803 /nfs/dbraw/zinc/77/08/03/350770803.db2.gz ZAFWGHMDWKJZEL-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)o1)[C@H](C)CO ZINC000339631862 350770806 /nfs/dbraw/zinc/77/08/06/350770806.db2.gz ZAFWGHMDWKJZEL-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCC(C)(C)F ZINC000637597564 350771133 /nfs/dbraw/zinc/77/11/33/350771133.db2.gz QRORGUPNSYBZBV-UHFFFAOYSA-N 1 2 242.298 1.310 20 0 BDADLO CCn1ccc(C[NH2+]Cc2oc(C)nc2C)n1 ZINC000628310309 350789064 /nfs/dbraw/zinc/78/90/64/350789064.db2.gz XICLJEVVPZCMFS-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H]2CCCO2)o1 ZINC000052102331 350937113 /nfs/dbraw/zinc/93/71/13/350937113.db2.gz SXUOYMOTONUTTD-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000052102331 350937117 /nfs/dbraw/zinc/93/71/17/350937117.db2.gz SXUOYMOTONUTTD-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CN(c1cc(-n2cc[nH+]c2)ncn1)C1CC1 ZINC000607142723 350943176 /nfs/dbraw/zinc/94/31/76/350943176.db2.gz AHPPSRJELQUMKU-UHFFFAOYSA-N 1 2 215.260 1.261 20 0 BDADLO CC[C@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398304383 351025615 /nfs/dbraw/zinc/02/56/15/351025615.db2.gz HYITZVXLDSKWKG-UWVGGRQHSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398304383 351025619 /nfs/dbraw/zinc/02/56/19/351025619.db2.gz HYITZVXLDSKWKG-UWVGGRQHSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398304380 351025775 /nfs/dbraw/zinc/02/57/75/351025775.db2.gz HYITZVXLDSKWKG-NXEZZACHSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398304380 351025778 /nfs/dbraw/zinc/02/57/78/351025778.db2.gz HYITZVXLDSKWKG-NXEZZACHSA-N 1 2 208.309 1.863 20 0 BDADLO CC(C)(C)c1ncc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000398349295 351047275 /nfs/dbraw/zinc/04/72/75/351047275.db2.gz RJDSFTCOZYDZJB-UHFFFAOYSA-N 1 2 246.318 1.182 20 0 BDADLO CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000052568866 351054399 /nfs/dbraw/zinc/05/43/99/351054399.db2.gz LPQHPELVBDRAMB-AWEZNQCLSA-N 1 2 248.326 1.196 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccc(C)cn2)o1 ZINC000398097230 363006225 /nfs/dbraw/zinc/00/62/25/363006225.db2.gz KNFSODATZLIXNQ-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC000623578067 363009666 /nfs/dbraw/zinc/00/96/66/363009666.db2.gz TWWZWSSXVXAHAH-ZYHUDNBSSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC000623578067 363009669 /nfs/dbraw/zinc/00/96/69/363009669.db2.gz TWWZWSSXVXAHAH-ZYHUDNBSSA-N 1 2 220.320 1.887 20 0 BDADLO Cc1ccc(CN(C)c2nc(C)[nH+]c(N)n2)s1 ZINC000631096178 351230164 /nfs/dbraw/zinc/23/01/64/351230164.db2.gz AZZTXSHBDLWHFC-UHFFFAOYSA-N 1 2 249.343 1.599 20 0 BDADLO Cc1ccc(CN(C)c2nc(N)nc(C)[nH+]2)s1 ZINC000631096178 351230168 /nfs/dbraw/zinc/23/01/68/351230168.db2.gz AZZTXSHBDLWHFC-UHFFFAOYSA-N 1 2 249.343 1.599 20 0 BDADLO CC(C)CN(C)C(=O)NCc1[nH+]ccn1C ZINC000264220520 351228105 /nfs/dbraw/zinc/22/81/05/351228105.db2.gz UDLCKVLMWMMSHA-UHFFFAOYSA-N 1 2 224.308 1.218 20 0 BDADLO NC(=O)[C@@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631107617 351290467 /nfs/dbraw/zinc/29/04/67/351290467.db2.gz YWTBRAWPKMZVIL-GFCCVEGCSA-N 1 2 241.294 1.546 20 0 BDADLO CC[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000268356704 351334753 /nfs/dbraw/zinc/33/47/53/351334753.db2.gz JPNGRPXUSXPGQJ-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO CCc1nc(C[N@H+](C)CCOCCO)cs1 ZINC000265858197 351275960 /nfs/dbraw/zinc/27/59/60/351275960.db2.gz ZVEKSBQYKFDZTP-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO CCc1nc(C[N@@H+](C)CCOCCO)cs1 ZINC000265858197 351275961 /nfs/dbraw/zinc/27/59/61/351275961.db2.gz ZVEKSBQYKFDZTP-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(O)c2)CC1=O ZINC000273470681 351531790 /nfs/dbraw/zinc/53/17/90/351531790.db2.gz JHKBQQWKUOFTBQ-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(O)c2)CC1=O ZINC000273470681 351531794 /nfs/dbraw/zinc/53/17/94/351531794.db2.gz JHKBQQWKUOFTBQ-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000337586853 191138946 /nfs/dbraw/zinc/13/89/46/191138946.db2.gz SXYRXQOPJXJZPL-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CCC[NH+]1CCN(C[C@@](C)(OC)C2CC2)CC1 ZINC000637829833 351677782 /nfs/dbraw/zinc/67/77/82/351677782.db2.gz QCFPIDLESDYQTI-CQSZACIVSA-N 1 2 240.391 1.829 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCOC(C)C ZINC000577768118 366057803 /nfs/dbraw/zinc/05/78/03/366057803.db2.gz VTMXFDUISRKQFX-UHFFFAOYSA-N 1 2 239.319 1.334 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccns1 ZINC000637869286 351729919 /nfs/dbraw/zinc/72/99/19/351729919.db2.gz MLWLLDOCAUPHLF-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccns1 ZINC000637869286 351729924 /nfs/dbraw/zinc/72/99/24/351729924.db2.gz MLWLLDOCAUPHLF-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCCn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000637880475 351745963 /nfs/dbraw/zinc/74/59/63/351745963.db2.gz OGVCTGDCFACKQC-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CC(=O)N1CCC[N@H+](Cc2ccns2)CC1 ZINC000637881920 351747897 /nfs/dbraw/zinc/74/78/97/351747897.db2.gz SVGYOHGQRKYCFX-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC(=O)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC000637881920 351747899 /nfs/dbraw/zinc/74/78/99/351747899.db2.gz SVGYOHGQRKYCFX-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO Cc1cc(NC[C@H](C)CO)nc(C(C)C)[nH+]1 ZINC000088389845 351794729 /nfs/dbraw/zinc/79/47/29/351794729.db2.gz TWHLRSJRACXVSM-VIFPVBQESA-N 1 2 223.320 1.949 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000577823293 366071182 /nfs/dbraw/zinc/07/11/82/366071182.db2.gz MWSBVKQWQILSRG-AAEUAGOBSA-N 1 2 235.331 1.513 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccc(C)o1 ZINC000088795692 351873236 /nfs/dbraw/zinc/87/32/36/351873236.db2.gz JCHDNDQEYOBSJR-GFCCVEGCSA-N 1 2 237.299 1.971 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C)o1 ZINC000088795692 351873238 /nfs/dbraw/zinc/87/32/38/351873238.db2.gz JCHDNDQEYOBSJR-GFCCVEGCSA-N 1 2 237.299 1.971 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000618868119 351874723 /nfs/dbraw/zinc/87/47/23/351874723.db2.gz KPKHKQNXAJZUNU-LLVKDONJSA-N 1 2 221.304 1.267 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2cn[nH]c2)c1C ZINC000638085630 351962312 /nfs/dbraw/zinc/96/23/12/351962312.db2.gz WLVKLPFZSHGMGI-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2cn[nH]c2)c1C ZINC000638085630 351962314 /nfs/dbraw/zinc/96/23/14/351962314.db2.gz WLVKLPFZSHGMGI-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)c(F)c1 ZINC000638181555 352047839 /nfs/dbraw/zinc/04/78/39/352047839.db2.gz HOMMPFROUORRCA-LBPRGKRZSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CCNC2=O)c(F)c1 ZINC000638181555 352047840 /nfs/dbraw/zinc/04/78/40/352047840.db2.gz HOMMPFROUORRCA-LBPRGKRZSA-N 1 2 236.290 1.454 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000607839297 352156680 /nfs/dbraw/zinc/15/66/80/352156680.db2.gz PXBUZVHRLPBGFI-UHFFFAOYSA-N 1 2 247.302 1.060 20 0 BDADLO CC[NH2+][C@H](C)C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000638358602 352170333 /nfs/dbraw/zinc/17/03/33/352170333.db2.gz GPHQKPWIXTXLHJ-SNVBAGLBSA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cnn(C)n1 ZINC000289335589 352180788 /nfs/dbraw/zinc/18/07/88/352180788.db2.gz IIMMOVQLCXJWPN-ZDUSSCGKSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cnn(C)n1 ZINC000289335589 352180794 /nfs/dbraw/zinc/18/07/94/352180794.db2.gz IIMMOVQLCXJWPN-ZDUSSCGKSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](O)c1nccn1Cc1c[nH+]ccc1OC ZINC000289384189 352183773 /nfs/dbraw/zinc/18/37/73/352183773.db2.gz LQSXOEMSRJHIPP-LLVKDONJSA-N 1 2 247.298 1.778 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000181446820 535172183 /nfs/dbraw/zinc/17/21/83/535172183.db2.gz MVAJTLIPJCERHZ-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000181446820 535172187 /nfs/dbraw/zinc/17/21/87/535172187.db2.gz MVAJTLIPJCERHZ-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO Cc1c[nH]nc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414915673 352266511 /nfs/dbraw/zinc/26/65/11/352266511.db2.gz ONBSHYISPCEHBM-GFCCVEGCSA-N 1 2 222.336 1.197 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2ccns2)CCO1 ZINC000630072935 363155797 /nfs/dbraw/zinc/15/57/97/363155797.db2.gz NOBFGILDGMRUQZ-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2ccns2)CCO1 ZINC000630072935 363155801 /nfs/dbraw/zinc/15/58/01/363155801.db2.gz NOBFGILDGMRUQZ-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000291546731 352279874 /nfs/dbraw/zinc/27/98/74/352279874.db2.gz VIJNUYWDSDYNNR-LLVKDONJSA-N 1 2 223.320 1.920 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](C)CC2)nc(N)[nH+]1 ZINC000383580770 352302625 /nfs/dbraw/zinc/30/26/25/352302625.db2.gz LVOQSNNJERGYIZ-SCZZXKLOSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@@H](C)CC2)[nH+]1 ZINC000383580770 352302628 /nfs/dbraw/zinc/30/26/28/352302628.db2.gz LVOQSNNJERGYIZ-SCZZXKLOSA-N 1 2 235.335 1.973 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1nnc(C)[nH]1 ZINC000411180140 191169488 /nfs/dbraw/zinc/16/94/88/191169488.db2.gz BJONUKWNNCHTOG-MRVPVSSYSA-N 1 2 212.297 1.142 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1nnc(C)[nH]1 ZINC000411180140 191169490 /nfs/dbraw/zinc/16/94/90/191169490.db2.gz BJONUKWNNCHTOG-MRVPVSSYSA-N 1 2 212.297 1.142 20 0 BDADLO COCC[N@H+](CCC1(O)CCC1)CC(F)F ZINC000411219484 191173147 /nfs/dbraw/zinc/17/31/47/191173147.db2.gz DIDUMCUKJAYLDX-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO COCC[N@@H+](CCC1(O)CCC1)CC(F)F ZINC000411219484 191173149 /nfs/dbraw/zinc/17/31/49/191173149.db2.gz DIDUMCUKJAYLDX-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000336068243 538102896 /nfs/dbraw/zinc/10/28/96/538102896.db2.gz JRWYRCZJLRVVCH-GHMZBOCLSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000336068243 538102897 /nfs/dbraw/zinc/10/28/97/538102897.db2.gz JRWYRCZJLRVVCH-GHMZBOCLSA-N 1 2 233.315 1.601 20 0 BDADLO CC[C@](C)([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411436959 191186056 /nfs/dbraw/zinc/18/60/56/191186056.db2.gz GYAIJPDHLPOCEW-NSHDSACASA-N 1 2 229.320 1.223 20 0 BDADLO CCCCCNC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000411527547 191191074 /nfs/dbraw/zinc/19/10/74/191191074.db2.gz QJYIRPDWPBPKBN-JTQLQIEISA-N 1 2 239.319 1.632 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]CC[C@@H](C)O ZINC000411762218 191208759 /nfs/dbraw/zinc/20/87/59/191208759.db2.gz WAVLCJPAVQEFRY-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO CC[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000340556822 352462689 /nfs/dbraw/zinc/46/26/89/352462689.db2.gz KAOMSYQIJDAWCX-LLVKDONJSA-N 1 2 221.304 1.674 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cccc(F)c1 ZINC000041566786 180744802 /nfs/dbraw/zinc/74/48/02/180744802.db2.gz FPJRSUOCHWQQCV-UHFFFAOYSA-N 1 2 233.246 1.489 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CCC3CC3)CCO2)n[nH]1 ZINC000607967711 352488279 /nfs/dbraw/zinc/48/82/79/352488279.db2.gz JCSQSATXEIJJJF-NSHDSACASA-N 1 2 236.319 1.287 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CCC3CC3)CCO2)n[nH]1 ZINC000607967711 352488283 /nfs/dbraw/zinc/48/82/83/352488283.db2.gz JCSQSATXEIJJJF-NSHDSACASA-N 1 2 236.319 1.287 20 0 BDADLO C/C=C\CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638689323 352525215 /nfs/dbraw/zinc/52/52/15/352525215.db2.gz ISUBTOJFQQYMEZ-QUCGXOGASA-N 1 2 240.253 1.657 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)nn1C ZINC000411840453 191216882 /nfs/dbraw/zinc/21/68/82/191216882.db2.gz CVNJLRUEWHJINT-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)nn1C ZINC000411840453 191216884 /nfs/dbraw/zinc/21/68/84/191216884.db2.gz CVNJLRUEWHJINT-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO CC[C@@H](C)NC(=O)CCNc1cc(C)[nH+]cn1 ZINC000040727344 352603834 /nfs/dbraw/zinc/60/38/34/352603834.db2.gz DVHAKTWNKZCRDV-SECBINFHSA-N 1 2 236.319 1.502 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccc(F)cc1 ZINC000041533241 352616297 /nfs/dbraw/zinc/61/62/97/352616297.db2.gz CVYNNEKRHBGNLY-UHFFFAOYSA-N 1 2 233.246 1.489 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000411857109 191219966 /nfs/dbraw/zinc/21/99/66/191219966.db2.gz LNXUJANCZVJVQC-NSHDSACASA-N 1 2 241.310 1.463 20 0 BDADLO CCn1ccnc1C[N@H+]1CCCO[C@@H](CF)C1 ZINC000411857109 191219968 /nfs/dbraw/zinc/21/99/68/191219968.db2.gz LNXUJANCZVJVQC-NSHDSACASA-N 1 2 241.310 1.463 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCC2CC2)C1 ZINC000374343836 180758606 /nfs/dbraw/zinc/75/86/06/180758606.db2.gz ZKKSXEXRVWSHEM-GFCCVEGCSA-N 1 2 247.342 1.926 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC000374371455 180759695 /nfs/dbraw/zinc/75/96/95/180759695.db2.gz YPBABMLZZSMXDK-LBPRGKRZSA-N 1 2 245.326 1.846 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411941722 191231036 /nfs/dbraw/zinc/23/10/36/191231036.db2.gz LUOJAZUAEBGZAN-OLZOCXBDSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411941722 191231038 /nfs/dbraw/zinc/23/10/38/191231038.db2.gz LUOJAZUAEBGZAN-OLZOCXBDSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000608080314 352727339 /nfs/dbraw/zinc/72/73/39/352727339.db2.gz BJDKAZZPZCWTRY-UHFFFAOYSA-N 1 2 221.304 1.790 20 0 BDADLO Cc1nsc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000608083155 352755781 /nfs/dbraw/zinc/75/57/81/352755781.db2.gz WVMLVHXIRLFKLW-JTQLQIEISA-N 1 2 249.343 1.885 20 0 BDADLO OCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000334180435 352768105 /nfs/dbraw/zinc/76/81/05/352768105.db2.gz DBENAASNMBMETQ-LBPRGKRZSA-N 1 2 245.244 1.828 20 0 BDADLO OCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000334180435 352768109 /nfs/dbraw/zinc/76/81/09/352768109.db2.gz DBENAASNMBMETQ-LBPRGKRZSA-N 1 2 245.244 1.828 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCC1 ZINC000334212942 352811097 /nfs/dbraw/zinc/81/10/97/352811097.db2.gz AWYMRIHKSPPPGX-LLVKDONJSA-N 1 2 233.315 1.458 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCO[C@H](C)C1 ZINC000334213051 352811189 /nfs/dbraw/zinc/81/11/89/352811189.db2.gz PVWVAUBVIUAJSI-SECBINFHSA-N 1 2 224.304 1.555 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCO[C@H](C)C1 ZINC000334213051 352811192 /nfs/dbraw/zinc/81/11/92/352811192.db2.gz PVWVAUBVIUAJSI-SECBINFHSA-N 1 2 224.304 1.555 20 0 BDADLO FC1(F)CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000334192953 352784044 /nfs/dbraw/zinc/78/40/44/352784044.db2.gz IWPUCQMPRNPZOR-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000334192953 352784048 /nfs/dbraw/zinc/78/40/48/352784048.db2.gz IWPUCQMPRNPZOR-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000334204956 352799486 /nfs/dbraw/zinc/79/94/86/352799486.db2.gz TVZLDWKZKZBFKS-HTAVTVPLSA-N 1 2 247.342 1.863 20 0 BDADLO C[C@@]1(F)CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000334210609 352807874 /nfs/dbraw/zinc/80/78/74/352807874.db2.gz GHADYPHOTFEFRO-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@]1(F)CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000334210609 352807876 /nfs/dbraw/zinc/80/78/76/352807876.db2.gz GHADYPHOTFEFRO-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2ccon2)n1C ZINC000342810499 352862346 /nfs/dbraw/zinc/86/23/46/352862346.db2.gz WPVRVWKHOJZPKN-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334245062 352834598 /nfs/dbraw/zinc/83/45/98/352834598.db2.gz DOTLZYHHTMOXBY-NSHDSACASA-N 1 2 249.314 1.098 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334245062 352834601 /nfs/dbraw/zinc/83/46/01/352834601.db2.gz DOTLZYHHTMOXBY-NSHDSACASA-N 1 2 249.314 1.098 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(F)c[nH]1 ZINC000334361953 353012476 /nfs/dbraw/zinc/01/24/76/353012476.db2.gz JSVWGQVQZLQSFP-UHFFFAOYSA-N 1 2 222.223 1.149 20 0 BDADLO BrC1=CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000307727786 353114597 /nfs/dbraw/zinc/11/45/97/353114597.db2.gz FMMZRUOVCPFYIF-UHFFFAOYSA-N 1 2 242.120 1.894 20 0 BDADLO BrC1=CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000307727786 353114600 /nfs/dbraw/zinc/11/46/00/353114600.db2.gz FMMZRUOVCPFYIF-UHFFFAOYSA-N 1 2 242.120 1.894 20 0 BDADLO Cc1cc(C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000001271807 353123115 /nfs/dbraw/zinc/12/31/15/353123115.db2.gz TYCQIUAGJAYPOC-UHFFFAOYSA-N 1 2 202.261 1.896 20 0 BDADLO CC1(C)CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000608093825 353123747 /nfs/dbraw/zinc/12/37/47/353123747.db2.gz OVWRBDJJISLADZ-UHFFFAOYSA-N 1 2 243.314 1.899 20 0 BDADLO CCc1ncc(C[N@H+](C)[C@@H]2CCNC2=O)s1 ZINC000336677348 188011137 /nfs/dbraw/zinc/01/11/37/188011137.db2.gz NRMRNKSGQRHOSG-SECBINFHSA-N 1 2 239.344 1.026 20 0 BDADLO CCc1ncc(C[N@@H+](C)[C@@H]2CCNC2=O)s1 ZINC000336677348 188011138 /nfs/dbraw/zinc/01/11/38/188011138.db2.gz NRMRNKSGQRHOSG-SECBINFHSA-N 1 2 239.344 1.026 20 0 BDADLO CC(C)n1cnc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000337001509 188013259 /nfs/dbraw/zinc/01/32/59/188013259.db2.gz USEFXYOTHQLHHW-UHFFFAOYSA-N 1 2 247.302 1.160 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC(C2CCC2)C1 ZINC000341323317 188043584 /nfs/dbraw/zinc/04/35/84/188043584.db2.gz PHLZRPXQXIJDRE-UHFFFAOYSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)=CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338208697 188017144 /nfs/dbraw/zinc/01/71/44/188017144.db2.gz RDIXRIJYPITYDT-UHFFFAOYSA-N 1 2 240.347 1.180 20 0 BDADLO CCc1[nH]nc(NCc2[nH]cc[nH+]2)c1C ZINC000124548068 188017932 /nfs/dbraw/zinc/01/79/32/188017932.db2.gz SOUQGOXYVDYUOF-UHFFFAOYSA-N 1 2 205.265 1.616 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2cccc(C)c2)c[nH+]1 ZINC000264793968 188021104 /nfs/dbraw/zinc/02/11/04/188021104.db2.gz XZBXMDUYHDQORV-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO Cc1cc(CN(C)c2cc[nH+]c(C)n2)no1 ZINC000266340863 188022474 /nfs/dbraw/zinc/02/24/74/188022474.db2.gz IFPZXJGXYQSTDX-UHFFFAOYSA-N 1 2 218.260 1.718 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)o2)[C@H](C)C1 ZINC000271168650 188025918 /nfs/dbraw/zinc/02/59/18/188025918.db2.gz GQPWMXCHDHMVHJ-SNVBAGLBSA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)o2)[C@H](C)C1 ZINC000271168650 188025920 /nfs/dbraw/zinc/02/59/20/188025920.db2.gz GQPWMXCHDHMVHJ-SNVBAGLBSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1nc(N(C)CCc2cnccn2)cc[nH+]1 ZINC000271443921 188026410 /nfs/dbraw/zinc/02/64/10/188026410.db2.gz XUEPQKNAJCVRPL-UHFFFAOYSA-N 1 2 229.287 1.254 20 0 BDADLO COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000272107423 188026726 /nfs/dbraw/zinc/02/67/26/188026726.db2.gz MULXRXRJZGCTNL-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCCCC1 ZINC000279657091 188031303 /nfs/dbraw/zinc/03/13/03/188031303.db2.gz NIBHORWFTNWSOO-UHFFFAOYSA-N 1 2 221.304 1.365 20 0 BDADLO CC(=O)N1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000280613485 188031884 /nfs/dbraw/zinc/03/18/84/188031884.db2.gz YLMDOGWUYRKRBV-GFCCVEGCSA-N 1 2 248.330 1.455 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000283048393 188033227 /nfs/dbraw/zinc/03/32/27/188033227.db2.gz ISHOTZJGTNAQBV-AOOOYVTPSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000283048393 188033228 /nfs/dbraw/zinc/03/32/28/188033228.db2.gz ISHOTZJGTNAQBV-AOOOYVTPSA-N 1 2 237.303 1.094 20 0 BDADLO CNC(=O)CSCc1c[nH+]ccc1OC ZINC000286528660 188034449 /nfs/dbraw/zinc/03/44/49/188034449.db2.gz NWDXRUWYRJVROP-UHFFFAOYSA-N 1 2 226.301 1.069 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)CO ZINC000287396529 188035441 /nfs/dbraw/zinc/03/54/41/188035441.db2.gz DFSWYMUCKGEKIN-MRVPVSSYSA-N 1 2 237.303 1.448 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)[C@H]1C ZINC000293527376 188037539 /nfs/dbraw/zinc/03/75/39/188037539.db2.gz WPYFESZOPXRCDP-SFYZADRCSA-N 1 2 225.317 1.422 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)[C@H]1C ZINC000293527376 188037540 /nfs/dbraw/zinc/03/75/40/188037540.db2.gz WPYFESZOPXRCDP-SFYZADRCSA-N 1 2 225.317 1.422 20 0 BDADLO Cc1cc(NC[C@@H]2CCC[C@@H]2O)nc(C2CC2)[nH+]1 ZINC000608092281 353119203 /nfs/dbraw/zinc/11/92/03/353119203.db2.gz ZSXVJOZIEGWWCL-RYUDHWBXSA-N 1 2 247.342 1.657 20 0 BDADLO Cc1nc(F)ccc1C[NH2+]CC(F)F ZINC000297302039 188040927 /nfs/dbraw/zinc/04/09/27/188040927.db2.gz ANVYJTALMXKMQV-UHFFFAOYSA-N 1 2 204.195 1.884 20 0 BDADLO CC(=O)CCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000298269356 188041029 /nfs/dbraw/zinc/04/10/29/188041029.db2.gz HTYJDPSPRMBASZ-UHFFFAOYSA-N 1 2 245.282 1.320 20 0 BDADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)s1 ZINC000299620137 188043217 /nfs/dbraw/zinc/04/32/17/188043217.db2.gz DOHGMAIZZLYCJE-UHFFFAOYSA-N 1 2 249.339 1.960 20 0 BDADLO CC(C)(C)N1C[C@H]([NH2+]Cc2cocn2)CC1=O ZINC000192321711 188004436 /nfs/dbraw/zinc/00/44/36/188004436.db2.gz XGUQPEHYUUPUAM-SECBINFHSA-N 1 2 237.303 1.164 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cocn1 ZINC000191942439 188004883 /nfs/dbraw/zinc/00/48/83/188004883.db2.gz MGFOXUYGSMRTOQ-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cocn1 ZINC000191942439 188004885 /nfs/dbraw/zinc/00/48/85/188004885.db2.gz MGFOXUYGSMRTOQ-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)COCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000330418027 188045962 /nfs/dbraw/zinc/04/59/62/188045962.db2.gz WGVAGZRGSHYYLC-SNVBAGLBSA-N 1 2 246.376 1.612 20 0 BDADLO CC(C)COCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000330418027 188045963 /nfs/dbraw/zinc/04/59/63/188045963.db2.gz WGVAGZRGSHYYLC-SNVBAGLBSA-N 1 2 246.376 1.612 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589175 188045987 /nfs/dbraw/zinc/04/59/87/188045987.db2.gz UMGWHGIUTGMCJO-MXWKQRLJSA-N 1 2 246.326 1.731 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589175 188045988 /nfs/dbraw/zinc/04/59/88/188045988.db2.gz UMGWHGIUTGMCJO-MXWKQRLJSA-N 1 2 246.326 1.731 20 0 BDADLO CN(Cc1cc[nH]n1)c1cc[nH+]c(C2CC2)n1 ZINC000329240585 538108751 /nfs/dbraw/zinc/10/87/51/538108751.db2.gz MVNDBFKNVUYJSA-UHFFFAOYSA-N 1 2 229.287 1.714 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000336272825 188055366 /nfs/dbraw/zinc/05/53/66/188055366.db2.gz CXOBQWQGDIFBJM-NWDGAFQWSA-N 1 2 247.404 1.788 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000336272825 188055368 /nfs/dbraw/zinc/05/53/68/188055368.db2.gz CXOBQWQGDIFBJM-NWDGAFQWSA-N 1 2 247.404 1.788 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(F)cc1F ZINC000336424266 188056106 /nfs/dbraw/zinc/05/61/06/188056106.db2.gz BJEHKGRWOFRLFC-MNOVXSKESA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(F)cc1F ZINC000336424266 188056107 /nfs/dbraw/zinc/05/61/07/188056107.db2.gz BJEHKGRWOFRLFC-MNOVXSKESA-N 1 2 245.244 1.870 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000336514169 188056902 /nfs/dbraw/zinc/05/69/02/188056902.db2.gz RXBZZOPBBASVFY-ZJUUUORDSA-N 1 2 236.319 1.360 20 0 BDADLO CC(C)(C)[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000336548728 188057399 /nfs/dbraw/zinc/05/73/99/188057399.db2.gz PBCCMLKDNFOMDZ-SNVBAGLBSA-N 1 2 223.320 1.657 20 0 BDADLO Cn1cncc1C[NH+]1CC2(CCC2(F)F)C1 ZINC000336618666 188058605 /nfs/dbraw/zinc/05/86/05/188058605.db2.gz WEIBNPOTJKPSCO-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO Cn1c[nH+]cc1CN1CC2(CCC2(F)F)C1 ZINC000336618666 188058606 /nfs/dbraw/zinc/05/86/06/188058606.db2.gz WEIBNPOTJKPSCO-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO C[C@@H](CNC(=O)C1(C)CC1)Cn1cc[nH+]c1 ZINC000350181884 133942270 /nfs/dbraw/zinc/94/22/70/133942270.db2.gz UAUOPNZYRVOVGI-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO CC[C@@H](COC)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134568459 538113526 /nfs/dbraw/zinc/11/35/26/538113526.db2.gz HZSSORMNJJZRAN-SCZZXKLOSA-N 1 2 211.309 1.794 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134562208 538113555 /nfs/dbraw/zinc/11/35/55/538113555.db2.gz PBKVSGJKEUZTAF-WCBMZHEXSA-N 1 2 211.309 1.530 20 0 BDADLO CC1(C)CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336766981 353273872 /nfs/dbraw/zinc/27/38/72/353273872.db2.gz SRNPACBZNDQQBY-ZETCQYMHSA-N 1 2 210.281 1.179 20 0 BDADLO COc1ccc(N[C@@H](C)[C@H]2CCOC2)[nH+]c1 ZINC000225835901 538114294 /nfs/dbraw/zinc/11/42/94/538114294.db2.gz OWAGSZJRZOUSRR-UWVGGRQHSA-N 1 2 222.288 1.927 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@@H]1CCCO1 ZINC000334501124 353331812 /nfs/dbraw/zinc/33/18/12/353331812.db2.gz HZFADTHHTHKMIM-DTWKUNHWSA-N 1 2 230.333 1.118 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@@H]1CCCO1 ZINC000334501124 353331814 /nfs/dbraw/zinc/33/18/14/353331814.db2.gz HZFADTHHTHKMIM-DTWKUNHWSA-N 1 2 230.333 1.118 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CCCOC1 ZINC000343280042 353323707 /nfs/dbraw/zinc/32/37/07/353323707.db2.gz ZMVXCVUJWOEHFS-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)o1 ZINC000053038198 353354314 /nfs/dbraw/zinc/35/43/14/353354314.db2.gz VWUZLTOHANQGGQ-VIFPVBQESA-N 1 2 207.273 1.999 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)o1 ZINC000053038198 353354315 /nfs/dbraw/zinc/35/43/15/353354315.db2.gz VWUZLTOHANQGGQ-VIFPVBQESA-N 1 2 207.273 1.999 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)sn1 ZINC000639058685 353364412 /nfs/dbraw/zinc/36/44/12/353364412.db2.gz UDRFVBUODTYXHC-MNOVXSKESA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)sn1 ZINC000639058685 353364415 /nfs/dbraw/zinc/36/44/15/353364415.db2.gz UDRFVBUODTYXHC-MNOVXSKESA-N 1 2 239.388 1.976 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](Cc2ccns2)CCN1C ZINC000639058612 353364619 /nfs/dbraw/zinc/36/46/19/353364619.db2.gz QWEXGMJWNAZKDG-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](Cc2ccns2)CCN1C ZINC000639058612 353364621 /nfs/dbraw/zinc/36/46/21/353364621.db2.gz QWEXGMJWNAZKDG-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO Cc1cc(N2C[C@H](C)C[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000398975583 353397994 /nfs/dbraw/zinc/39/79/94/353397994.db2.gz CLCKFALFWFJJMG-PWSUYJOCSA-N 1 2 245.326 1.716 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1cn[nH]c1C ZINC000537726057 324100342 /nfs/dbraw/zinc/10/03/42/324100342.db2.gz NRYSXICWKKSXDU-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO Cc1cc(N[C@H]2C[C@@](C)(O)C2)nc(C2CC2)[nH+]1 ZINC000642298188 363227524 /nfs/dbraw/zinc/22/75/24/363227524.db2.gz GRUFBLKULVWTFK-GSJFWJNXSA-N 1 2 233.315 1.410 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1N)c1ncnn1C ZINC000639097635 353492041 /nfs/dbraw/zinc/49/20/41/353492041.db2.gz RXPXGABTHZSNRI-QMMMGPOBSA-N 1 2 249.293 1.387 20 0 BDADLO Fc1ccc(F)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000041014978 180973883 /nfs/dbraw/zinc/97/38/83/180973883.db2.gz VIQQTMYNLAKHSE-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO CO[C@@](C)(C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000639094807 353479358 /nfs/dbraw/zinc/47/93/58/353479358.db2.gz IMOKBVKVLNCCTM-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@](C)(C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000639094807 353479360 /nfs/dbraw/zinc/47/93/60/353479360.db2.gz IMOKBVKVLNCCTM-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO COC1(C[N@H+](C)Cc2nncn2C)CCCC1 ZINC000577902121 366099160 /nfs/dbraw/zinc/09/91/60/366099160.db2.gz CEJKUJYFNWTAQF-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO COC1(C[N@@H+](C)Cc2nncn2C)CCCC1 ZINC000577902121 366099164 /nfs/dbraw/zinc/09/91/64/366099164.db2.gz CEJKUJYFNWTAQF-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000194455818 353663089 /nfs/dbraw/zinc/66/30/89/353663089.db2.gz SGOZSZWYXIDGKS-QWRGUYRKSA-N 1 2 238.335 1.617 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343322965 353690241 /nfs/dbraw/zinc/69/02/41/353690241.db2.gz NZYZJTRSMSNGSZ-OUAUKWLOSA-N 1 2 233.315 1.218 20 0 BDADLO Fc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000054763308 181012503 /nfs/dbraw/zinc/01/25/03/181012503.db2.gz GPBLOKFWBZQCMO-UHFFFAOYSA-N 1 2 205.236 1.839 20 0 BDADLO Fc1ccccc1C[NH2+]Cc1cnccn1 ZINC000054765517 181012910 /nfs/dbraw/zinc/01/29/10/181012910.db2.gz XKQBRDKQJLMANU-UHFFFAOYSA-N 1 2 217.247 1.906 20 0 BDADLO CCn1cc[nH+]c1CS(=O)(=O)CCC(C)C ZINC000195519841 353765642 /nfs/dbraw/zinc/76/56/42/353765642.db2.gz GLJGCVDZIQKGDW-UHFFFAOYSA-N 1 2 244.360 1.864 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccc(F)cn2)o1 ZINC000529538917 353773770 /nfs/dbraw/zinc/77/37/70/353773770.db2.gz ACNXIWRVJLFDQF-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CO[C@@](C)(C[N@H+](CCO)CC(F)F)C1CC1 ZINC000639123193 353784608 /nfs/dbraw/zinc/78/46/08/353784608.db2.gz KIYYRNRHRSHRKK-NSHDSACASA-N 1 2 237.290 1.361 20 0 BDADLO CO[C@@](C)(C[N@@H+](CCO)CC(F)F)C1CC1 ZINC000639123193 353784610 /nfs/dbraw/zinc/78/46/10/353784610.db2.gz KIYYRNRHRSHRKK-NSHDSACASA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)C[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000232602219 353740504 /nfs/dbraw/zinc/74/05/04/353740504.db2.gz HLMJOTCYDONFMO-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)C[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000232602219 353740505 /nfs/dbraw/zinc/74/05/05/353740505.db2.gz HLMJOTCYDONFMO-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO CCc1cc(N[C@@H](C)C[C@H](C)O)nc[nH+]1 ZINC000136368719 491056467 /nfs/dbraw/zinc/05/64/67/491056467.db2.gz OJMFGDJVTQSAFO-IUCAKERBSA-N 1 2 209.293 1.610 20 0 BDADLO Cc1nc(N2CC[C@H](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000343425679 353882526 /nfs/dbraw/zinc/88/25/26/353882526.db2.gz LUMZKJPKSXTNEO-NSHDSACASA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H](C3CC3)C2)[nH+]1 ZINC000343425679 353882529 /nfs/dbraw/zinc/88/25/29/353882529.db2.gz LUMZKJPKSXTNEO-NSHDSACASA-N 1 2 247.346 1.482 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](O)[C@H](C)C2)cc[nH+]1 ZINC000334520958 353885203 /nfs/dbraw/zinc/88/52/03/353885203.db2.gz FINROMAWTXNSKW-BXKDBHETSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1sccc1F ZINC000334523963 353893710 /nfs/dbraw/zinc/89/37/10/353893710.db2.gz RHNORBPGMFQGTO-MRVPVSSYSA-N 1 2 242.319 1.663 20 0 BDADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1sccc1F ZINC000334523963 353893713 /nfs/dbraw/zinc/89/37/13/353893713.db2.gz RHNORBPGMFQGTO-MRVPVSSYSA-N 1 2 242.319 1.663 20 0 BDADLO c1cc(C[NH+]2CC(C3CCOCC3)C2)no1 ZINC000639137621 353854852 /nfs/dbraw/zinc/85/48/52/353854852.db2.gz FARVZLDFSDCCAY-UHFFFAOYSA-N 1 2 222.288 1.533 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@](C)(F)C1 ZINC000334536845 353923607 /nfs/dbraw/zinc/92/36/07/353923607.db2.gz ANSGRYVCRZEEQU-WPRPVWTQSA-N 1 2 212.272 1.310 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@](C)(F)C1 ZINC000334536845 353923610 /nfs/dbraw/zinc/92/36/10/353923610.db2.gz ANSGRYVCRZEEQU-WPRPVWTQSA-N 1 2 212.272 1.310 20 0 BDADLO O[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C4CC4)n3)C[C@@H]12 ZINC000343514513 353925394 /nfs/dbraw/zinc/92/53/94/353925394.db2.gz KBMOWMNPYVYMAN-QJPTWQEYSA-N 1 2 245.326 1.561 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccn1C ZINC000334555746 354000983 /nfs/dbraw/zinc/00/09/83/354000983.db2.gz SLKSCAPJWKCDGC-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccn1C ZINC000334555746 354000987 /nfs/dbraw/zinc/00/09/87/354000987.db2.gz SLKSCAPJWKCDGC-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO CCC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(N)=O ZINC000343965322 354076140 /nfs/dbraw/zinc/07/61/40/354076140.db2.gz NGVQFNDVFJRTCY-VIFPVBQESA-N 1 2 247.302 1.332 20 0 BDADLO COc1ccc(CNc2cc(C)[nH+]cn2)c(F)c1 ZINC000343902042 354054103 /nfs/dbraw/zinc/05/41/03/354054103.db2.gz RCIPQWLGDQRXDH-UHFFFAOYSA-N 1 2 247.273 1.967 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000343979941 354057113 /nfs/dbraw/zinc/05/71/13/354057113.db2.gz GUTNEAROTDWSLF-IUCAKERBSA-N 1 2 207.277 1.257 20 0 BDADLO Cc1scnc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000529543114 324333601 /nfs/dbraw/zinc/33/36/01/324333601.db2.gz JWNRHDIGUSUOSE-QMMMGPOBSA-N 1 2 239.344 1.730 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1c[nH]cn1 ZINC000309746817 491058832 /nfs/dbraw/zinc/05/88/32/491058832.db2.gz FVCSZFHQVNWFRU-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000344084234 354136116 /nfs/dbraw/zinc/13/61/16/354136116.db2.gz CYYIEVAHJLXXLZ-TUAOUCFPSA-N 1 2 247.342 1.560 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccn1 ZINC000344185408 354177738 /nfs/dbraw/zinc/17/77/38/354177738.db2.gz IXHJKTDGSDSPTM-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO CO[C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000344114507 354141476 /nfs/dbraw/zinc/14/14/76/354141476.db2.gz LAZPOJGRBXKOLP-SECBINFHSA-N 1 2 239.319 1.181 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449669543 202000749 /nfs/dbraw/zinc/00/07/49/202000749.db2.gz YAMGWRGVEKYDAQ-GUBZILKMSA-N 1 2 231.361 1.668 20 0 BDADLO COCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449669610 202001269 /nfs/dbraw/zinc/00/12/69/202001269.db2.gz YEMPFEOLFPSMCD-ZJUUUORDSA-N 1 2 217.309 1.341 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000334598253 354232773 /nfs/dbraw/zinc/23/27/73/354232773.db2.gz WXIBFGZEKKAPFH-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914466 134001513 /nfs/dbraw/zinc/00/15/13/134001513.db2.gz XFNSJJHXUJJSDN-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914466 134001514 /nfs/dbraw/zinc/00/15/14/134001514.db2.gz XFNSJJHXUJJSDN-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)n(C)n1 ZINC000334604643 354285721 /nfs/dbraw/zinc/28/57/21/354285721.db2.gz XUBQICZBUPNVJJ-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)n(C)n1 ZINC000334604643 354285724 /nfs/dbraw/zinc/28/57/24/354285724.db2.gz XUBQICZBUPNVJJ-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)C1=CCC1)C1CC1 ZINC000344604627 354324180 /nfs/dbraw/zinc/32/41/80/354324180.db2.gz TTWJKHNXELSWGE-LLVKDONJSA-N 1 2 231.299 1.708 20 0 BDADLO CC(C)(C(=O)N1CCSCC1)c1c[nH+]c[nH]1 ZINC000334632317 354375599 /nfs/dbraw/zinc/37/55/99/354375599.db2.gz IUAUYOGGKGXVQY-UHFFFAOYSA-N 1 2 239.344 1.263 20 0 BDADLO OCC1(c2ccccc2)C[NH+](CC2(F)CC2)C1 ZINC000577995395 366165123 /nfs/dbraw/zinc/16/51/23/366165123.db2.gz TXSNRTQYMHBTBU-UHFFFAOYSA-N 1 2 235.302 1.734 20 0 BDADLO C[C@@H](CC(=O)NCc1cccnc1)n1cc[nH+]c1 ZINC000578016757 366182327 /nfs/dbraw/zinc/18/23/27/366182327.db2.gz JUDMGQFYVHLFKR-NSHDSACASA-N 1 2 244.298 1.546 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@H]2C)c[nH+]1 ZINC000334641888 354397682 /nfs/dbraw/zinc/39/76/82/354397682.db2.gz DWWLGXXPLILJHC-APPZFPTMSA-N 1 2 207.277 1.637 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2C)c[nH+]1 ZINC000334641896 354398068 /nfs/dbraw/zinc/39/80/68/354398068.db2.gz DWWLGXXPLILJHC-VXNVDRBHSA-N 1 2 207.277 1.637 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CC1(O)CCC1 ZINC000334648525 354439500 /nfs/dbraw/zinc/43/95/00/354439500.db2.gz SUCOJPSFSPLNLQ-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2ccncc2)no1 ZINC000349651848 366209671 /nfs/dbraw/zinc/20/96/71/366209671.db2.gz WPZJWWNUQUKOFY-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000334655780 354450051 /nfs/dbraw/zinc/45/00/51/354450051.db2.gz SQPVQOOFRRETRD-JTQLQIEISA-N 1 2 206.293 1.427 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000334655780 354450055 /nfs/dbraw/zinc/45/00/55/354450055.db2.gz SQPVQOOFRRETRD-JTQLQIEISA-N 1 2 206.293 1.427 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2cscn2)c2[nH+]ccn21 ZINC000334746814 354471408 /nfs/dbraw/zinc/47/14/08/354471408.db2.gz CRFUKMGMODJOEO-HTQZYQBOSA-N 1 2 248.311 1.775 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCOC[C@H]1C ZINC000334695241 354486000 /nfs/dbraw/zinc/48/60/00/354486000.db2.gz QDRZPGZVBGMGIE-ZYHUDNBSSA-N 1 2 248.326 1.677 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CC2(F)F)c[nH+]1 ZINC000334742660 354545972 /nfs/dbraw/zinc/54/59/72/354545972.db2.gz MRNLTYWYUOZYKP-SNVBAGLBSA-N 1 2 240.253 1.970 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000184642868 535263386 /nfs/dbraw/zinc/26/33/86/535263386.db2.gz WZEPDZSUIKMXDU-GFCCVEGCSA-N 1 2 242.363 1.117 20 0 BDADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C2CCC2)C1 ZINC000334736809 354538063 /nfs/dbraw/zinc/53/80/63/354538063.db2.gz PRLQGRLXAHSOKG-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)C2CCC2)C1 ZINC000334736809 354538066 /nfs/dbraw/zinc/53/80/66/354538066.db2.gz PRLQGRLXAHSOKG-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CCN1CC[N@H+](Cc2ccco2)[C@H](C)C1=O ZINC000334708656 354504269 /nfs/dbraw/zinc/50/42/69/354504269.db2.gz OQFPCQJEJSNBRY-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO CCN1CC[N@@H+](Cc2ccco2)[C@H](C)C1=O ZINC000334708656 354504270 /nfs/dbraw/zinc/50/42/70/354504270.db2.gz OQFPCQJEJSNBRY-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC1CCCC1 ZINC000334811575 354568836 /nfs/dbraw/zinc/56/88/36/354568836.db2.gz NNEVFSHZDDLEJP-SECBINFHSA-N 1 2 214.284 1.089 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC1CCCC1 ZINC000334811575 354568838 /nfs/dbraw/zinc/56/88/38/354568838.db2.gz NNEVFSHZDDLEJP-SECBINFHSA-N 1 2 214.284 1.089 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000334814059 354571415 /nfs/dbraw/zinc/57/14/15/354571415.db2.gz XYDURVLQOWSGQG-GHMZBOCLSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000334814059 354571421 /nfs/dbraw/zinc/57/14/21/354571421.db2.gz XYDURVLQOWSGQG-GHMZBOCLSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000334814062 354571532 /nfs/dbraw/zinc/57/15/32/354571532.db2.gz XYDURVLQOWSGQG-WDEREUQCSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000334814062 354571536 /nfs/dbraw/zinc/57/15/36/354571536.db2.gz XYDURVLQOWSGQG-WDEREUQCSA-N 1 2 228.311 1.431 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334814885 354572798 /nfs/dbraw/zinc/57/27/98/354572798.db2.gz IOVLFSUXRPVINQ-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334814885 354572801 /nfs/dbraw/zinc/57/28/01/354572801.db2.gz IOVLFSUXRPVINQ-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO CCn1ncnc1C[NH+]1CC(C2CC2)C1 ZINC000639195173 354595209 /nfs/dbraw/zinc/59/52/09/354595209.db2.gz FBZGVYRZPDSQDB-UHFFFAOYSA-N 1 2 206.293 1.140 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC[C@@H](F)C1 ZINC000335096450 354635788 /nfs/dbraw/zinc/63/57/88/354635788.db2.gz MTPSKJWELNTEOY-DTWKUNHWSA-N 1 2 225.267 1.554 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC[C@@H](F)C1 ZINC000335096450 354635790 /nfs/dbraw/zinc/63/57/90/354635790.db2.gz MTPSKJWELNTEOY-DTWKUNHWSA-N 1 2 225.267 1.554 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335081073 354643972 /nfs/dbraw/zinc/64/39/72/354643972.db2.gz NIOSNMJNXVKDSL-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335081073 354643975 /nfs/dbraw/zinc/64/39/75/354643975.db2.gz NIOSNMJNXVKDSL-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000345379196 354645453 /nfs/dbraw/zinc/64/54/53/354645453.db2.gz FRLDDPCYGRXVAG-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000345379196 354645456 /nfs/dbraw/zinc/64/54/56/354645456.db2.gz FRLDDPCYGRXVAG-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345426808 354654518 /nfs/dbraw/zinc/65/45/18/354654518.db2.gz KKFIJUDHHHNIMV-VXGBXAGGSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)CC[C@H](C)O ZINC000166013092 354762820 /nfs/dbraw/zinc/76/28/20/354762820.db2.gz DISZQZSGRTVCML-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)CC[C@H](C)O ZINC000166013092 354762822 /nfs/dbraw/zinc/76/28/22/354762822.db2.gz DISZQZSGRTVCML-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO FC(F)[C@H]1CCCC[N@@H+]1C[C@H]1COCCO1 ZINC000335129693 354776526 /nfs/dbraw/zinc/77/65/26/354776526.db2.gz JLAHQIPAOVUFGX-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@H]1CCCC[N@H+]1C[C@H]1COCCO1 ZINC000335129693 354776527 /nfs/dbraw/zinc/77/65/27/354776527.db2.gz JLAHQIPAOVUFGX-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1 ZINC000345652182 354738111 /nfs/dbraw/zinc/73/81/11/354738111.db2.gz ZDWTYIBMXNUKFL-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1 ZINC000345652182 354738118 /nfs/dbraw/zinc/73/81/18/354738118.db2.gz ZDWTYIBMXNUKFL-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO CCN(CCOC)c1nc[nH+]c(N)c1Cl ZINC000233457816 363402177 /nfs/dbraw/zinc/40/21/77/363402177.db2.gz JZWWEKDHQDQIIR-UHFFFAOYSA-N 1 2 230.699 1.185 20 0 BDADLO CCN(CCOC)c1[nH+]cnc(N)c1Cl ZINC000233457816 363402179 /nfs/dbraw/zinc/40/21/79/363402179.db2.gz JZWWEKDHQDQIIR-UHFFFAOYSA-N 1 2 230.699 1.185 20 0 BDADLO CC(C)OCCNc1nc[nH+]c(N)c1Cl ZINC000232687775 363380064 /nfs/dbraw/zinc/38/00/64/363380064.db2.gz UAXRNQGXGRQDQX-UHFFFAOYSA-N 1 2 230.699 1.549 20 0 BDADLO CC(C)OCCNc1[nH+]cnc(N)c1Cl ZINC000232687775 363380066 /nfs/dbraw/zinc/38/00/66/363380066.db2.gz UAXRNQGXGRQDQX-UHFFFAOYSA-N 1 2 230.699 1.549 20 0 BDADLO Cc1occc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000335160362 354911429 /nfs/dbraw/zinc/91/14/29/354911429.db2.gz MSOKGCSZHJRDHC-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1occc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000335160362 354911433 /nfs/dbraw/zinc/91/14/33/354911433.db2.gz MSOKGCSZHJRDHC-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)cn1 ZINC000351979091 134025660 /nfs/dbraw/zinc/02/56/60/134025660.db2.gz HXAZWWUUKODEKC-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC[C@]2(C)C(N)=O)cn1 ZINC000351979091 134025661 /nfs/dbraw/zinc/02/56/61/134025661.db2.gz HXAZWWUUKODEKC-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000335207374 355043610 /nfs/dbraw/zinc/04/36/10/355043610.db2.gz PNHRGNSKRDSGGV-NSHDSACASA-N 1 2 249.358 1.950 20 0 BDADLO Cc1nc(N2CC[C@](C)(F)C2)nc(N(C)C)[nH+]1 ZINC000346658843 355004844 /nfs/dbraw/zinc/00/48/44/355004844.db2.gz PYXHJLSCSYNONH-NSHDSACASA-N 1 2 239.298 1.184 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@](C)(F)C2)[nH+]1 ZINC000346658843 355004845 /nfs/dbraw/zinc/00/48/45/355004845.db2.gz PYXHJLSCSYNONH-NSHDSACASA-N 1 2 239.298 1.184 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000335191491 355024733 /nfs/dbraw/zinc/02/47/33/355024733.db2.gz FLAQRJXWKNEVOK-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000335191491 355024736 /nfs/dbraw/zinc/02/47/36/355024736.db2.gz FLAQRJXWKNEVOK-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1[nH]ncc1C ZINC000335180721 355078101 /nfs/dbraw/zinc/07/81/01/355078101.db2.gz PBGVPMOWTDKGLJ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1[nH]ncc1C ZINC000335180721 355078103 /nfs/dbraw/zinc/07/81/03/355078103.db2.gz PBGVPMOWTDKGLJ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1n[nH]cc1C ZINC000335180721 355078106 /nfs/dbraw/zinc/07/81/06/355078106.db2.gz PBGVPMOWTDKGLJ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1n[nH]cc1C ZINC000335180721 355078108 /nfs/dbraw/zinc/07/81/08/355078108.db2.gz PBGVPMOWTDKGLJ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cccnc1 ZINC000346747678 355091610 /nfs/dbraw/zinc/09/16/10/355091610.db2.gz FFUYGTHUNYNJFS-UHFFFAOYSA-N 1 2 216.244 1.307 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000346837333 355131411 /nfs/dbraw/zinc/13/14/11/355131411.db2.gz XSYFPXMNTVSFOT-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000346837333 355131413 /nfs/dbraw/zinc/13/14/13/355131413.db2.gz XSYFPXMNTVSFOT-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO CCC[C@@H]([NH2+]Cc1nncn1C)c1ccccn1 ZINC000346982410 355184553 /nfs/dbraw/zinc/18/45/53/355184553.db2.gz RLZNSIDFTWQWQE-LLVKDONJSA-N 1 2 245.330 1.841 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@@H+]1CCO[C@@H](C)C1 ZINC000412994307 191333084 /nfs/dbraw/zinc/33/30/84/191333084.db2.gz ARGUPDLLBZYMAR-GXSJLCMTSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@H+]1CCO[C@@H](C)C1 ZINC000412994307 191333086 /nfs/dbraw/zinc/33/30/86/191333086.db2.gz ARGUPDLLBZYMAR-GXSJLCMTSA-N 1 2 231.361 1.418 20 0 BDADLO C[C@H](CO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413080095 191355392 /nfs/dbraw/zinc/35/53/92/191355392.db2.gz YAIZPCAWRPNGDO-QMMMGPOBSA-N 1 2 222.292 1.091 20 0 BDADLO C[C@H](CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413080095 191355395 /nfs/dbraw/zinc/35/53/95/191355395.db2.gz YAIZPCAWRPNGDO-QMMMGPOBSA-N 1 2 222.292 1.091 20 0 BDADLO c1nc(N[C@@H]2CCSC2)cc(NC2CC2)[nH+]1 ZINC000413171519 191361155 /nfs/dbraw/zinc/36/11/55/191361155.db2.gz QGANNTFVYPMPRQ-SECBINFHSA-N 1 2 236.344 1.968 20 0 BDADLO c1nc(NC2CC2)cc(N[C@@H]2CCSC2)[nH+]1 ZINC000413171519 191361157 /nfs/dbraw/zinc/36/11/57/191361157.db2.gz QGANNTFVYPMPRQ-SECBINFHSA-N 1 2 236.344 1.968 20 0 BDADLO CCOCC[NH+]1CCN(C[C@@H](CC)OC)CC1 ZINC000412980404 191350676 /nfs/dbraw/zinc/35/06/76/191350676.db2.gz XHBYMKRJZDZXQG-CYBMUJFWSA-N 1 2 244.379 1.066 20 0 BDADLO COC(=O)C1(C)CN(c2cc(C(C)C)[nH+]cn2)C1 ZINC000425289965 191354749 /nfs/dbraw/zinc/35/47/49/191354749.db2.gz ZYPQFYOFFIQIGW-UHFFFAOYSA-N 1 2 249.314 1.599 20 0 BDADLO FC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000413470533 191383282 /nfs/dbraw/zinc/38/32/82/191383282.db2.gz GTCKRSNIHOTBJR-JTQLQIEISA-N 1 2 237.278 1.529 20 0 BDADLO Cc1nc(N2CCC[C@@H](CO)[C@@H]2C)cc[nH+]1 ZINC000413591726 191397942 /nfs/dbraw/zinc/39/79/42/191397942.db2.gz JGDZXIGQSOCWFY-ONGXEEELSA-N 1 2 221.304 1.382 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@H]2CC2(C)C)[nH+]1 ZINC000413507447 191386540 /nfs/dbraw/zinc/38/65/40/191386540.db2.gz SSVGVYRAGCWYQH-VIFPVBQESA-N 1 2 249.362 1.693 20 0 BDADLO CC(C)c1nc(N[C@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000413507447 191386542 /nfs/dbraw/zinc/38/65/42/191386542.db2.gz SSVGVYRAGCWYQH-VIFPVBQESA-N 1 2 249.362 1.693 20 0 BDADLO Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)nc[nH+]1 ZINC000413531523 191392705 /nfs/dbraw/zinc/39/27/05/191392705.db2.gz LUXXPLZSAGIPOK-AXFHLTTASA-N 1 2 221.304 1.432 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347685165 355269434 /nfs/dbraw/zinc/26/94/34/355269434.db2.gz PDZBYWMBUFCRMP-VIFPVBQESA-N 1 2 245.273 1.747 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347685165 355269435 /nfs/dbraw/zinc/26/94/35/355269435.db2.gz PDZBYWMBUFCRMP-VIFPVBQESA-N 1 2 245.273 1.747 20 0 BDADLO COC(=O)[C@H]1C[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000413561853 191397389 /nfs/dbraw/zinc/39/73/89/191397389.db2.gz NTSLHBCZBQGATH-DTORHVGOSA-N 1 2 221.260 1.149 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413239430 191363422 /nfs/dbraw/zinc/36/34/22/191363422.db2.gz IVNVXBJHLMITGF-DTWKUNHWSA-N 1 2 236.319 1.622 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413239430 191363425 /nfs/dbraw/zinc/36/34/25/191363425.db2.gz IVNVXBJHLMITGF-DTWKUNHWSA-N 1 2 236.319 1.622 20 0 BDADLO c1nc(N[C@H]2CCOC2)cc(NC2CC2)[nH+]1 ZINC000413212155 191364488 /nfs/dbraw/zinc/36/44/88/191364488.db2.gz XSRZFLBEUABIGR-VIFPVBQESA-N 1 2 220.276 1.252 20 0 BDADLO c1nc(NC2CC2)cc(N[C@H]2CCOC2)[nH+]1 ZINC000413212155 191364489 /nfs/dbraw/zinc/36/44/89/191364489.db2.gz XSRZFLBEUABIGR-VIFPVBQESA-N 1 2 220.276 1.252 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413233240 191365475 /nfs/dbraw/zinc/36/54/75/191365475.db2.gz PRGNPHOCKPGNCK-VUDBWIFFSA-N 1 2 248.330 1.790 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413233240 191365478 /nfs/dbraw/zinc/36/54/78/191365478.db2.gz PRGNPHOCKPGNCK-VUDBWIFFSA-N 1 2 248.330 1.790 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[C@@H]1O ZINC000413254911 191366969 /nfs/dbraw/zinc/36/69/69/191366969.db2.gz ZUYZNYFJIWQYQW-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC[C@@H]1O ZINC000413254911 191366971 /nfs/dbraw/zinc/36/69/71/191366971.db2.gz ZUYZNYFJIWQYQW-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000413370315 191377356 /nfs/dbraw/zinc/37/73/56/191377356.db2.gz CHSRZECLBXSVNL-KOLCDFICSA-N 1 2 233.315 1.755 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000639253564 355290851 /nfs/dbraw/zinc/29/08/51/355290851.db2.gz BATGHQZUJZCJSY-UHFFFAOYSA-N 1 2 249.339 1.705 20 0 BDADLO COc1ccccc1/C=C/C[NH+]1CC(C)(O)C1 ZINC000639254449 355291086 /nfs/dbraw/zinc/29/10/86/355291086.db2.gz VCASSVKIQHSSBK-FNORWQNLSA-N 1 2 233.311 1.775 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CC(C)(O)C3)n21 ZINC000639253646 355292229 /nfs/dbraw/zinc/29/22/29/355292229.db2.gz MAKIJDYHYUCUAV-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccccn1 ZINC000008746682 355334205 /nfs/dbraw/zinc/33/42/05/355334205.db2.gz IQCRXPMKIAWHEG-UHFFFAOYSA-N 1 2 216.244 1.307 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349242189 355374964 /nfs/dbraw/zinc/37/49/64/355374964.db2.gz OIICRQUVBSTCEW-NXEZZACHSA-N 1 2 239.319 1.581 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000582165390 355383994 /nfs/dbraw/zinc/38/39/94/355383994.db2.gz QSOIEDCCIXJKRT-VWYCJHECSA-N 1 2 247.342 1.992 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000582165390 355383996 /nfs/dbraw/zinc/38/39/96/355383996.db2.gz QSOIEDCCIXJKRT-VWYCJHECSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000335777417 355403060 /nfs/dbraw/zinc/40/30/60/355403060.db2.gz XIOLBCRUIXPONZ-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000335777414 355403083 /nfs/dbraw/zinc/40/30/83/355403083.db2.gz XIOLBCRUIXPONZ-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1=CCCC1 ZINC000335782412 355429655 /nfs/dbraw/zinc/42/96/55/355429655.db2.gz CJDAFNPKLROQFP-UHFFFAOYSA-N 1 2 205.261 1.445 20 0 BDADLO CCN1CCC[N@H+](Cc2ccc(C)cn2)CC1=O ZINC000335784309 355432883 /nfs/dbraw/zinc/43/28/83/355432883.db2.gz TUZXRBAPYXLPDI-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccc(C)cn2)CC1=O ZINC000335784309 355432887 /nfs/dbraw/zinc/43/28/87/355432887.db2.gz TUZXRBAPYXLPDI-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)nn1C ZINC000335789466 355440836 /nfs/dbraw/zinc/44/08/36/355440836.db2.gz ZVCNAHGAVVGELH-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000335800250 355492507 /nfs/dbraw/zinc/49/25/07/355492507.db2.gz HMZLYQKCPIDRMB-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000335800250 355492511 /nfs/dbraw/zinc/49/25/11/355492511.db2.gz HMZLYQKCPIDRMB-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO CCCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349851248 355481896 /nfs/dbraw/zinc/48/18/96/355481896.db2.gz MWAHNJLSMIHVEP-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CCCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349851248 355481897 /nfs/dbraw/zinc/48/18/97/355481897.db2.gz MWAHNJLSMIHVEP-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccccc2OC)n1 ZINC000349937172 355532091 /nfs/dbraw/zinc/53/20/91/355532091.db2.gz SKIGYJYRQFIKRS-UHFFFAOYSA-N 1 2 247.298 1.583 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C(F)(F)F)CC2)[nH]1 ZINC000335821249 355540065 /nfs/dbraw/zinc/54/00/65/355540065.db2.gz LITGLWSANBXTCZ-UHFFFAOYSA-N 1 2 248.252 1.887 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)CCn1cc[nH+]c1 ZINC000335823694 355545381 /nfs/dbraw/zinc/54/53/81/355545381.db2.gz BMGRNZMOXZWWLU-QWRGUYRKSA-N 1 2 221.304 1.673 20 0 BDADLO CCc1ccc(Cc2nc(C[NH2+]C)no2)cc1 ZINC000349872681 355513507 /nfs/dbraw/zinc/51/35/07/355513507.db2.gz DCBDIIAADAUZSB-UHFFFAOYSA-N 1 2 231.299 1.942 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@@H]2C)n1 ZINC000353241369 355516748 /nfs/dbraw/zinc/51/67/48/355516748.db2.gz YZKPFSBRIQTMDJ-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@@H]2C)n1 ZINC000353241369 355516750 /nfs/dbraw/zinc/51/67/50/355516750.db2.gz YZKPFSBRIQTMDJ-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nc(N2CCO[C@@H](C(C)C)C2)cc[nH+]1 ZINC000349895550 355520864 /nfs/dbraw/zinc/52/08/64/355520864.db2.gz ROEBARQJSMRBQY-LLVKDONJSA-N 1 2 221.304 1.646 20 0 BDADLO C[NH2+]Cc1noc(COc2cc(C)ccc2C)n1 ZINC000349900447 355522403 /nfs/dbraw/zinc/52/24/03/355522403.db2.gz YNANDIIYKLKNQE-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO O=C1CC[N@H+](Cc2ccncc2Cl)CCN1 ZINC000335841595 355585628 /nfs/dbraw/zinc/58/56/28/355585628.db2.gz XXQOVOLDBZESCO-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2ccncc2Cl)CCN1 ZINC000335841595 355585631 /nfs/dbraw/zinc/58/56/31/355585631.db2.gz XXQOVOLDBZESCO-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)cc[nH+]1 ZINC000335844418 355588188 /nfs/dbraw/zinc/58/81/88/355588188.db2.gz XRWLRXXSBHABFA-APPZFPTMSA-N 1 2 226.226 1.652 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000639296119 355592369 /nfs/dbraw/zinc/59/23/69/355592369.db2.gz LZMXDLQQHUNRQE-PWSUYJOCSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+]1CCn2nncc2C1)OC ZINC000639296119 355592371 /nfs/dbraw/zinc/59/23/71/355592371.db2.gz LZMXDLQQHUNRQE-PWSUYJOCSA-N 1 2 238.335 1.155 20 0 BDADLO O=C1C[N@H+](C[C@@H]2CC=CCC2)CN1C1CC1 ZINC000335837997 355566735 /nfs/dbraw/zinc/56/67/35/355566735.db2.gz KSVURWBPBVBICA-LLVKDONJSA-N 1 2 220.316 1.607 20 0 BDADLO O=C1C[N@@H+](C[C@@H]2CC=CCC2)CN1C1CC1 ZINC000335837997 355566739 /nfs/dbraw/zinc/56/67/39/355566739.db2.gz KSVURWBPBVBICA-LLVKDONJSA-N 1 2 220.316 1.607 20 0 BDADLO C[C@H](CNC(=O)C1=CCCC1)Cn1cc[nH+]c1 ZINC000350182115 355622061 /nfs/dbraw/zinc/62/20/61/355622061.db2.gz XAFDHBQVLZHUCL-LLVKDONJSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC000335863544 355627906 /nfs/dbraw/zinc/62/79/06/355627906.db2.gz CHFAMAGYCJBDQB-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC000335863544 355627908 /nfs/dbraw/zinc/62/79/08/355627908.db2.gz CHFAMAGYCJBDQB-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO COc1ncc(CN(C)Cc2c[nH+]c[nH]2)s1 ZINC000639300787 355634174 /nfs/dbraw/zinc/63/41/74/355634174.db2.gz GMZDBXFJULWRGD-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO COc1ncc(CN(C)Cc2c[nH]c[nH+]2)s1 ZINC000639300787 355634178 /nfs/dbraw/zinc/63/41/78/355634178.db2.gz GMZDBXFJULWRGD-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO COc1cc(C[NH2+]Cc2cccc(OC)n2)on1 ZINC000639324412 355719117 /nfs/dbraw/zinc/71/91/17/355719117.db2.gz LYHMBBLNJDCQDH-UHFFFAOYSA-N 1 2 249.270 1.377 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1CCOCC1CC1 ZINC000331855247 181205483 /nfs/dbraw/zinc/20/54/83/181205483.db2.gz MSERZFSVJDXZEW-SNVBAGLBSA-N 1 2 244.360 1.366 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1CCOCC1CC1 ZINC000331855247 181205484 /nfs/dbraw/zinc/20/54/84/181205484.db2.gz MSERZFSVJDXZEW-SNVBAGLBSA-N 1 2 244.360 1.366 20 0 BDADLO CC[C@](C)(C[N@@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639311960 355672502 /nfs/dbraw/zinc/67/25/02/355672502.db2.gz XMCCUQRAFIPGLJ-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@](C)(C[N@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639311960 355672508 /nfs/dbraw/zinc/67/25/08/355672508.db2.gz XMCCUQRAFIPGLJ-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000350629069 355734913 /nfs/dbraw/zinc/73/49/13/355734913.db2.gz LHRLTZRBBDDJIN-QJPTWQEYSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000350629069 355734917 /nfs/dbraw/zinc/73/49/17/355734917.db2.gz LHRLTZRBBDDJIN-QJPTWQEYSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1cc(N2C[C@@H](O)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000350683797 355740655 /nfs/dbraw/zinc/74/06/55/355740655.db2.gz HWNPGBLKQVUFAO-ONGXEEELSA-N 1 2 233.315 1.622 20 0 BDADLO Fc1cccc2ncnc(-n3cc[nH+]c3)c12 ZINC000350728184 355750438 /nfs/dbraw/zinc/75/04/38/355750438.db2.gz GUKBCQOVEKEHFB-UHFFFAOYSA-N 1 2 214.203 1.955 20 0 BDADLO Cc1ccsc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639335945 355768921 /nfs/dbraw/zinc/76/89/21/355768921.db2.gz CFEVCDSUDZYOJX-NSHDSACASA-N 1 2 240.372 1.165 20 0 BDADLO Cc1ccsc1CN1CC[N@H+](C)C[C@H]1CO ZINC000639335945 355768926 /nfs/dbraw/zinc/76/89/26/355768926.db2.gz CFEVCDSUDZYOJX-NSHDSACASA-N 1 2 240.372 1.165 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000639322345 355723840 /nfs/dbraw/zinc/72/38/40/355723840.db2.gz SCIBPDACQUFKIT-CMPLNLGQSA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000639322345 355723843 /nfs/dbraw/zinc/72/38/43/355723843.db2.gz SCIBPDACQUFKIT-CMPLNLGQSA-N 1 2 240.351 1.308 20 0 BDADLO COc1cc(C[NH2+]Cc2c(C)n[nH]c2C)on1 ZINC000639325639 355724267 /nfs/dbraw/zinc/72/42/67/355724267.db2.gz SUJFFTQDIREISX-UHFFFAOYSA-N 1 2 236.275 1.313 20 0 BDADLO COc1cc(C[NH2+]Cc2nccs2)on1 ZINC000639326442 355726087 /nfs/dbraw/zinc/72/60/87/355726087.db2.gz WTPNISJNANUREN-UHFFFAOYSA-N 1 2 225.273 1.430 20 0 BDADLO O=C(CCc1ccoc1)N1CCn2c[nH+]cc2C1 ZINC000336022567 134055992 /nfs/dbraw/zinc/05/59/92/134055992.db2.gz MNWORGVZZLZITD-UHFFFAOYSA-N 1 2 245.282 1.451 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3n[nH]cc3C2)sn1 ZINC000639344559 355781925 /nfs/dbraw/zinc/78/19/25/355781925.db2.gz XBIRLDMNKJYSJJ-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1cc(C[N@H+]2CCc3n[nH]cc3C2)sn1 ZINC000639344559 355781929 /nfs/dbraw/zinc/78/19/29/355781929.db2.gz XBIRLDMNKJYSJJ-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CC[C@@H](COC)Nc1c[nH+]cc(N(C)C)c1 ZINC000639365124 355837595 /nfs/dbraw/zinc/83/75/95/355837595.db2.gz MPYQEUKAUCRCEU-JTQLQIEISA-N 1 2 223.320 1.985 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2ncc[nH]2)c(C)n1 ZINC000639366963 355846455 /nfs/dbraw/zinc/84/64/55/355846455.db2.gz ODABRVRQQBKJPH-QMMMGPOBSA-N 1 2 231.303 1.667 20 0 BDADLO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363365 355846980 /nfs/dbraw/zinc/84/69/80/355846980.db2.gz HNCLGJURDYTWOY-MNOVXSKESA-N 1 2 208.309 1.719 20 0 BDADLO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363365 355846982 /nfs/dbraw/zinc/84/69/82/355846982.db2.gz HNCLGJURDYTWOY-MNOVXSKESA-N 1 2 208.309 1.719 20 0 BDADLO CCCC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255197 355856621 /nfs/dbraw/zinc/85/66/21/355856621.db2.gz UDHOHGYOJCBFHB-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO COc1ccsc1C[NH2+]Cc1ncc[nH]1 ZINC000639371909 355871275 /nfs/dbraw/zinc/87/12/75/355871275.db2.gz MPDRBPIGZDGGCJ-UHFFFAOYSA-N 1 2 223.301 1.770 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000639363677 355829645 /nfs/dbraw/zinc/82/96/45/355829645.db2.gz DTZLPFLMLIWBLU-MFKMUULPSA-N 1 2 235.331 1.985 20 0 BDADLO NC(=O)CC1CC[NH+](Cc2nccs2)CC1 ZINC000134991460 181220311 /nfs/dbraw/zinc/22/03/11/181220311.db2.gz GSQJHAHMCZTXOY-UHFFFAOYSA-N 1 2 239.344 1.231 20 0 BDADLO CC1([NH2+]Cc2ccc(F)c(F)c2F)COC1 ZINC000639381204 355918776 /nfs/dbraw/zinc/91/87/76/355918776.db2.gz RWUKSFNOGLDALC-UHFFFAOYSA-N 1 2 231.217 1.982 20 0 BDADLO COc1cc(C[NH2+]C2(C)COC2)sn1 ZINC000639380666 355918979 /nfs/dbraw/zinc/91/89/79/355918979.db2.gz IQRCKBARBZQEMQ-UHFFFAOYSA-N 1 2 214.290 1.030 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2ncc(C)o2)C1 ZINC000639382990 355933698 /nfs/dbraw/zinc/93/36/98/355933698.db2.gz NNTCPLMRWPGOEI-UHFFFAOYSA-N 1 2 236.315 1.841 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424985239 191895176 /nfs/dbraw/zinc/89/51/76/191895176.db2.gz VBKKQXDBQDFHSQ-NWDGAFQWSA-N 1 2 233.315 1.578 20 0 BDADLO COC(=O)CCNc1cc(C(C)C)[nH+]cn1 ZINC000040766393 358499505 /nfs/dbraw/zinc/49/95/05/358499505.db2.gz MDDHWSHPPDQCCA-UHFFFAOYSA-N 1 2 223.276 1.575 20 0 BDADLO NC(=O)CC1C[NH+](Cc2c(F)cccc2F)C1 ZINC000297518552 181220184 /nfs/dbraw/zinc/22/01/84/181220184.db2.gz XVXYRTHNITUXLS-UHFFFAOYSA-N 1 2 240.253 1.272 20 0 BDADLO CCCn1nccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000351294730 355973796 /nfs/dbraw/zinc/97/37/96/355973796.db2.gz AHRNHECYSQSAEU-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C(F)(F)F)O1 ZINC000608759418 355975923 /nfs/dbraw/zinc/97/59/23/355975923.db2.gz WOYXERKARZWZCZ-JGVFFNPUSA-N 1 2 249.236 1.561 20 0 BDADLO COCC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623256351 355947488 /nfs/dbraw/zinc/94/74/88/355947488.db2.gz IKGHQNITJGRDMT-UHFFFAOYSA-N 1 2 234.299 1.111 20 0 BDADLO COCC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623256351 355947493 /nfs/dbraw/zinc/94/74/93/355947493.db2.gz IKGHQNITJGRDMT-UHFFFAOYSA-N 1 2 234.299 1.111 20 0 BDADLO C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)C[C@H]1O ZINC000351504884 356004695 /nfs/dbraw/zinc/00/46/95/356004695.db2.gz KZLMTYPAIDLMKH-MWLCHTKSSA-N 1 2 248.330 1.116 20 0 BDADLO C[C@@H]1CN(c2cc(NCC3CC3)nc[nH+]2)C[C@H]1O ZINC000351504884 356004698 /nfs/dbraw/zinc/00/46/98/356004698.db2.gz KZLMTYPAIDLMKH-MWLCHTKSSA-N 1 2 248.330 1.116 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000351222100 355963080 /nfs/dbraw/zinc/96/30/80/355963080.db2.gz GJFWMUWOYOQNPG-SNVBAGLBSA-N 1 2 237.303 1.165 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000351222100 355963083 /nfs/dbraw/zinc/96/30/83/355963083.db2.gz GJFWMUWOYOQNPG-SNVBAGLBSA-N 1 2 237.303 1.165 20 0 BDADLO CC1(C)C[NH+](Cc2cn3cccnc3n2)C1 ZINC000639392838 356040262 /nfs/dbraw/zinc/04/02/62/356040262.db2.gz BDIAQPGIOODIGL-UHFFFAOYSA-N 1 2 216.288 1.571 20 0 BDADLO COc1cc(C[NH+]2CC(C)(C)C2)sn1 ZINC000639392866 356060615 /nfs/dbraw/zinc/06/06/15/356060615.db2.gz BJNASBAATPAUJD-UHFFFAOYSA-N 1 2 212.318 1.994 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000365232129 181231269 /nfs/dbraw/zinc/23/12/69/181231269.db2.gz NEHRBMQYHPCPKH-LLVKDONJSA-N 1 2 240.253 1.587 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000365232129 181231271 /nfs/dbraw/zinc/23/12/71/181231271.db2.gz NEHRBMQYHPCPKH-LLVKDONJSA-N 1 2 240.253 1.587 20 0 BDADLO NC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000268317292 181231972 /nfs/dbraw/zinc/23/19/72/181231972.db2.gz JQYWGBVLMRUZNA-UHFFFAOYSA-N 1 2 248.301 1.790 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)cc2C)CC1=O ZINC000351592643 356025549 /nfs/dbraw/zinc/02/55/49/356025549.db2.gz LFGCEPGHKDLZLH-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)cc2C)CC1=O ZINC000351592643 356025552 /nfs/dbraw/zinc/02/55/52/356025552.db2.gz LFGCEPGHKDLZLH-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO COc1ncc(C[NH+]2CC(C)(C)C2)s1 ZINC000639393165 356065813 /nfs/dbraw/zinc/06/58/13/356065813.db2.gz GZRQURKYEQGFTQ-UHFFFAOYSA-N 1 2 212.318 1.994 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@@H]2CCC[C@H]2O)no1 ZINC000351711335 356066034 /nfs/dbraw/zinc/06/60/34/356066034.db2.gz HTAJBWBADXRRGY-INTQDDNPSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@@H]2CCC[C@H]2O)no1 ZINC000351711335 356066039 /nfs/dbraw/zinc/06/60/39/356066039.db2.gz HTAJBWBADXRRGY-INTQDDNPSA-N 1 2 239.319 1.532 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000351739699 356077468 /nfs/dbraw/zinc/07/74/68/356077468.db2.gz UEJMFHTZNVLWCO-MNOVXSKESA-N 1 2 243.310 1.997 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC3(CCCC3)C2)cn1 ZINC000351883263 356127918 /nfs/dbraw/zinc/12/79/18/356127918.db2.gz VBKUHAJDEYPFFW-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC3(CCCC3)C2)cn1 ZINC000351883263 356127923 /nfs/dbraw/zinc/12/79/23/356127923.db2.gz VBKUHAJDEYPFFW-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262113 356162826 /nfs/dbraw/zinc/16/28/26/356162826.db2.gz OPVCPZDGUJHNDT-MNOVXSKESA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nscc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262932 356173103 /nfs/dbraw/zinc/17/31/03/356173103.db2.gz WFFHAQUHEXLYJJ-MRVPVSSYSA-N 1 2 248.311 1.003 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCOCC12CCC2 ZINC000329914711 356143139 /nfs/dbraw/zinc/14/31/39/356143139.db2.gz PHGQYSWWWPEJEF-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H](C)S1 ZINC000336086178 134076439 /nfs/dbraw/zinc/07/64/39/134076439.db2.gz OAPZJADVRKMXOU-AOOOYVTPSA-N 1 2 223.345 1.802 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H](C)S1 ZINC000336086178 134076440 /nfs/dbraw/zinc/07/64/40/134076440.db2.gz OAPZJADVRKMXOU-AOOOYVTPSA-N 1 2 223.345 1.802 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261480 356151800 /nfs/dbraw/zinc/15/18/00/356151800.db2.gz TZORACGUXRDFIW-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000617635508 356223896 /nfs/dbraw/zinc/22/38/96/356223896.db2.gz QZJKYDJBROBJPL-NEPJUHHUSA-N 1 2 249.358 1.998 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC12CCCC2 ZINC000623264529 356236219 /nfs/dbraw/zinc/23/62/19/356236219.db2.gz NLUPMUNLOMYSBP-JQWIXIFHSA-N 1 2 245.326 1.504 20 0 BDADLO CCCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623265038 356230956 /nfs/dbraw/zinc/23/09/56/356230956.db2.gz ZMBNMSFEKKRHPY-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO Cn1ccc(C[NH+]2CCC(O)(C(F)F)CC2)n1 ZINC000336105345 134085003 /nfs/dbraw/zinc/08/50/03/134085003.db2.gz WHCFWPKWJZXLKD-UHFFFAOYSA-N 1 2 245.273 1.012 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331637576 356202390 /nfs/dbraw/zinc/20/23/90/356202390.db2.gz MHFORUYMLAAGLJ-SECBINFHSA-N 1 2 224.308 1.522 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331637576 356202394 /nfs/dbraw/zinc/20/23/94/356202394.db2.gz MHFORUYMLAAGLJ-SECBINFHSA-N 1 2 224.308 1.522 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@H](CC)C2)[nH]1 ZINC000331663835 356202697 /nfs/dbraw/zinc/20/26/97/356202697.db2.gz QQGRDMDAPYUHJJ-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@H](CC)C2)[nH]1 ZINC000331663835 356202701 /nfs/dbraw/zinc/20/27/01/356202701.db2.gz QQGRDMDAPYUHJJ-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCC[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623263507 356202711 /nfs/dbraw/zinc/20/27/11/356202711.db2.gz OXMFIGAEKMLXSD-YPMHNXCESA-N 1 2 249.358 1.996 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000336110510 134086199 /nfs/dbraw/zinc/08/61/99/134086199.db2.gz YRFSPMLHVOQYBV-OCAPTIKFSA-N 1 2 226.349 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000336110510 134086200 /nfs/dbraw/zinc/08/62/00/134086200.db2.gz YRFSPMLHVOQYBV-OCAPTIKFSA-N 1 2 226.349 1.439 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC2(C1)CCCC2 ZINC000336113157 134087213 /nfs/dbraw/zinc/08/72/13/134087213.db2.gz FEAQALPZYZFWAC-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO CC[N@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639473334 356265720 /nfs/dbraw/zinc/26/57/20/356265720.db2.gz ATKRQHDVYFMFBG-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639473334 356265723 /nfs/dbraw/zinc/26/57/23/356265723.db2.gz ATKRQHDVYFMFBG-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[N@H+](Cc1nc(C2CCC2)no1)[C@@H]1CCOC1 ZINC000639482723 356295222 /nfs/dbraw/zinc/29/52/22/356295222.db2.gz MORBZXDGOMAGEE-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[N@@H+](Cc1nc(C2CCC2)no1)[C@@H]1CCOC1 ZINC000639482723 356295226 /nfs/dbraw/zinc/29/52/26/356295226.db2.gz MORBZXDGOMAGEE-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623266291 356304471 /nfs/dbraw/zinc/30/44/71/356304471.db2.gz XJGWKHHSGVFPIX-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1CCC1 ZINC000617742746 356305619 /nfs/dbraw/zinc/30/56/19/356305619.db2.gz AEKOINGNPNHXBR-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1CCC1 ZINC000617742746 356305623 /nfs/dbraw/zinc/30/56/23/356305623.db2.gz AEKOINGNPNHXBR-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@@H](C)[C@H](O)C2)c(C)[nH+]1 ZINC000352181770 134093840 /nfs/dbraw/zinc/09/38/40/134093840.db2.gz IDHKHUHTMCAVMD-PRHODGIISA-N 1 2 249.314 1.543 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C)[C@H](C)CO1 ZINC000617741324 356307294 /nfs/dbraw/zinc/30/72/94/356307294.db2.gz LOUZHOVNTBVRPW-GHMZBOCLSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C)[C@H](C)CO1 ZINC000617741324 356307297 /nfs/dbraw/zinc/30/72/97/356307297.db2.gz LOUZHOVNTBVRPW-GHMZBOCLSA-N 1 2 242.363 1.258 20 0 BDADLO CCC[C@@H]([NH2+]C(C)C)C(=O)N=c1cc(C)[nH][nH]1 ZINC000352167448 134090150 /nfs/dbraw/zinc/09/01/50/134090150.db2.gz BDPGUPBGXCHKHN-SNVBAGLBSA-N 1 2 238.335 1.245 20 0 BDADLO C[N@H+](Cc1nc(C2CCC2)no1)C(C)(C)CO ZINC000639492384 356310925 /nfs/dbraw/zinc/31/09/25/356310925.db2.gz BUBFNSCRNBTUOS-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[N@@H+](Cc1nc(C2CCC2)no1)C(C)(C)CO ZINC000639492384 356310929 /nfs/dbraw/zinc/31/09/29/356310929.db2.gz BUBFNSCRNBTUOS-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)c1cccs1 ZINC000336133081 134095288 /nfs/dbraw/zinc/09/52/88/134095288.db2.gz IUDLFCGPQXMSDW-CQSZACIVSA-N 1 2 226.326 1.789 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639512576 356349076 /nfs/dbraw/zinc/34/90/76/356349076.db2.gz WFLCCPVTOCHYKS-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639512576 356349077 /nfs/dbraw/zinc/34/90/77/356349077.db2.gz WFLCCPVTOCHYKS-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000336131529 134094770 /nfs/dbraw/zinc/09/47/70/134094770.db2.gz ZEVRLHMBGIPYAE-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000336131529 134094771 /nfs/dbraw/zinc/09/47/71/134094771.db2.gz ZEVRLHMBGIPYAE-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000336131528 134094830 /nfs/dbraw/zinc/09/48/30/134094830.db2.gz ZEVRLHMBGIPYAE-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000336131528 134094831 /nfs/dbraw/zinc/09/48/31/134094831.db2.gz ZEVRLHMBGIPYAE-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000336503922 356381698 /nfs/dbraw/zinc/38/16/98/356381698.db2.gz KOXPCGAMTDNKIA-ZETCQYMHSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000336503922 356381699 /nfs/dbraw/zinc/38/16/99/356381699.db2.gz KOXPCGAMTDNKIA-ZETCQYMHSA-N 1 2 246.763 1.999 20 0 BDADLO O=C(C[NH2+]C1(C(F)F)CCCCC1)NC1CC1 ZINC000352193139 134098003 /nfs/dbraw/zinc/09/80/03/134098003.db2.gz BHRDEOHMSCBVDX-UHFFFAOYSA-N 1 2 246.301 1.823 20 0 BDADLO CCC[C@@H]([NH2+]CCCF)C(=O)OCC ZINC000379483612 358502045 /nfs/dbraw/zinc/50/20/45/358502045.db2.gz GCJXZVZIMBTEOT-SECBINFHSA-N 1 2 205.273 1.667 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639547316 356411045 /nfs/dbraw/zinc/41/10/45/356411045.db2.gz SJJRSRQUJRLPOM-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639547316 356411046 /nfs/dbraw/zinc/41/10/46/356411046.db2.gz SJJRSRQUJRLPOM-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(N(C)C)no1 ZINC000532318400 356414581 /nfs/dbraw/zinc/41/45/81/356414581.db2.gz BPUAPMYAUDULMK-OCAPTIKFSA-N 1 2 210.281 1.118 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(N(C)C)no1 ZINC000532318400 356414583 /nfs/dbraw/zinc/41/45/83/356414583.db2.gz BPUAPMYAUDULMK-OCAPTIKFSA-N 1 2 210.281 1.118 20 0 BDADLO CN1CC[C@@H]([NH2+]CCC[NH3+])[C@H]1c1ccccc1 ZINC000420390636 192236123 /nfs/dbraw/zinc/23/61/23/192236123.db2.gz ABXPQFIKPOBOBX-ZIAGYGMSSA-N 1 2 233.359 1.370 20 0 BDADLO CN1CC[C@H]([NH2+]CCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390629 192236275 /nfs/dbraw/zinc/23/62/75/192236275.db2.gz ABXPQFIKPOBOBX-KBPBESRZSA-N 1 2 233.359 1.370 20 0 BDADLO CN(Cc1nc(C2CCC2)no1)Cc1[nH]cc[nH+]1 ZINC000639550989 356430999 /nfs/dbraw/zinc/43/09/99/356430999.db2.gz FRVVRHWGBSAUMF-UHFFFAOYSA-N 1 2 247.302 1.692 20 0 BDADLO Cc1ncsc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623273670 356402708 /nfs/dbraw/zinc/40/27/08/356402708.db2.gz WAUKNGPPQNANFW-QMMMGPOBSA-N 1 2 248.311 1.003 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccsc1 ZINC000623280355 356451431 /nfs/dbraw/zinc/45/14/31/356451431.db2.gz UVHMTKJIJYYVGS-SECBINFHSA-N 1 2 233.296 1.299 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)CC[C@H]2C)[nH+]1 ZINC000420631230 192251602 /nfs/dbraw/zinc/25/16/02/192251602.db2.gz IQHZQNUXRIOMJO-PSASIEDQSA-N 1 2 246.314 1.616 20 0 BDADLO CC[C@H]1C[N@H+](CC(F)(F)CC)C[C@H]1O ZINC000639556680 356460070 /nfs/dbraw/zinc/46/00/70/356460070.db2.gz XLVGCYKZSGQSSS-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H]1C[N@@H+](CC(F)(F)CC)C[C@H]1O ZINC000639556680 356460073 /nfs/dbraw/zinc/46/00/73/356460073.db2.gz XLVGCYKZSGQSSS-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cnccn2)[C@H](C)CN1C ZINC000639558157 356460447 /nfs/dbraw/zinc/46/04/47/356460447.db2.gz XBXFLHMADXSBBN-VXGBXAGGSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cnccn2)[C@H](C)CN1C ZINC000639558157 356460452 /nfs/dbraw/zinc/46/04/52/356460452.db2.gz XBXFLHMADXSBBN-VXGBXAGGSA-N 1 2 234.347 1.044 20 0 BDADLO CC(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000639570064 356494160 /nfs/dbraw/zinc/49/41/60/356494160.db2.gz LOIFXJDOPDQBKD-JTQLQIEISA-N 1 2 237.303 1.823 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cc[nH]c(=O)c1)CC2 ZINC000639575676 356502775 /nfs/dbraw/zinc/50/27/75/356502775.db2.gz HFUJAUVBJKTOFW-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cc[nH]c(=O)c1)CC2 ZINC000639575676 356502778 /nfs/dbraw/zinc/50/27/78/356502778.db2.gz HFUJAUVBJKTOFW-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CC(=O)C[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000639576494 356504015 /nfs/dbraw/zinc/50/40/15/356504015.db2.gz ZDRYQXCBGVLQFQ-UHFFFAOYSA-N 1 2 237.303 1.321 20 0 BDADLO COCCC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420901697 192268357 /nfs/dbraw/zinc/26/83/57/192268357.db2.gz KSCGLOVQJVUAKS-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO COCCC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420901697 192268359 /nfs/dbraw/zinc/26/83/59/192268359.db2.gz KSCGLOVQJVUAKS-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCCNC(=O)C[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420955150 192277257 /nfs/dbraw/zinc/27/72/57/192277257.db2.gz VWLWSHNPCVDYLM-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCc1cnccn1)C2 ZINC000639624573 356537942 /nfs/dbraw/zinc/53/79/42/356537942.db2.gz SFSLBQSRIVNNAD-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCc1cnccn1)C2 ZINC000639624573 356537945 /nfs/dbraw/zinc/53/79/45/356537945.db2.gz SFSLBQSRIVNNAD-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO CN1CC[N@H+](CCc2cnccn2)CC1(C)C ZINC000639622036 356541364 /nfs/dbraw/zinc/54/13/64/356541364.db2.gz FFZROBQENQKRNN-UHFFFAOYSA-N 1 2 234.347 1.045 20 0 BDADLO CN1CC[N@@H+](CCc2cnccn2)CC1(C)C ZINC000639622036 356541365 /nfs/dbraw/zinc/54/13/65/356541365.db2.gz FFZROBQENQKRNN-UHFFFAOYSA-N 1 2 234.347 1.045 20 0 BDADLO CC[C@@](C)(OC)c1noc(Cn2cc[nH+]c2)n1 ZINC000350440380 366278979 /nfs/dbraw/zinc/27/89/79/366278979.db2.gz RZFNXCPOESFBNC-LLVKDONJSA-N 1 2 236.275 1.586 20 0 BDADLO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006953 192298762 /nfs/dbraw/zinc/29/87/62/192298762.db2.gz HGGWOFVAZRJQFW-WPRPVWTQSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@H]1CC[C@H](O)C[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006953 192298763 /nfs/dbraw/zinc/29/87/63/192298763.db2.gz HGGWOFVAZRJQFW-WPRPVWTQSA-N 1 2 236.319 1.027 20 0 BDADLO CC[C@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000336196110 134126440 /nfs/dbraw/zinc/12/64/40/134126440.db2.gz RZEYHGFZAWUBCR-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000336196110 134126441 /nfs/dbraw/zinc/12/64/41/134126441.db2.gz RZEYHGFZAWUBCR-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623298189 356551790 /nfs/dbraw/zinc/55/17/90/356551790.db2.gz XRSUMMSOCSHLHY-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccsn1 ZINC000623298592 356555561 /nfs/dbraw/zinc/55/55/61/356555561.db2.gz FDNVKYCZQBYFFZ-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000623299095 356556713 /nfs/dbraw/zinc/55/67/13/356556713.db2.gz QEVLUJVJSBZGMA-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000639645270 356559037 /nfs/dbraw/zinc/55/90/37/356559037.db2.gz HTHQHCJISAZRJM-UHFFFAOYSA-N 1 2 233.267 1.449 20 0 BDADLO CC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000639645270 356559043 /nfs/dbraw/zinc/55/90/43/356559043.db2.gz HTHQHCJISAZRJM-UHFFFAOYSA-N 1 2 233.267 1.449 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623299832 356559495 /nfs/dbraw/zinc/55/94/95/356559495.db2.gz DIXMLWRGUXLAIM-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639659419 356568482 /nfs/dbraw/zinc/56/84/82/356568482.db2.gz LQHLPQSAGWVNLJ-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639659419 356568487 /nfs/dbraw/zinc/56/84/87/356568487.db2.gz LQHLPQSAGWVNLJ-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@H+](CC(=O)c1ccccc1F)[C@@H](C)CO ZINC000639656501 356571486 /nfs/dbraw/zinc/57/14/86/356571486.db2.gz ILSIDJCPAXLZMX-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO CC[N@@H+](CC(=O)c1ccccc1F)[C@@H](C)CO ZINC000639656501 356571488 /nfs/dbraw/zinc/57/14/88/356571488.db2.gz ILSIDJCPAXLZMX-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCC1(O)CCC1)C1CC1 ZINC000421192114 192314440 /nfs/dbraw/zinc/31/44/40/192314440.db2.gz ADWVJJLWCQJTGJ-NSHDSACASA-N 1 2 241.331 1.223 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000639683385 356592222 /nfs/dbraw/zinc/59/22/22/356592222.db2.gz DXSWSWDFLUAZRI-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000639683385 356592226 /nfs/dbraw/zinc/59/22/26/356592226.db2.gz DXSWSWDFLUAZRI-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623307963 356614132 /nfs/dbraw/zinc/61/41/32/356614132.db2.gz ROSQXDBBGMPNRU-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO CC[C@@H](NC(=O)CCCF)c1[nH]cc[nH+]1 ZINC000613578672 363521021 /nfs/dbraw/zinc/52/10/21/363521021.db2.gz DRGHYULPTYDOMQ-MRVPVSSYSA-N 1 2 213.256 1.727 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccn2)[C@@H](C)C(=O)N1C ZINC000639688825 356597527 /nfs/dbraw/zinc/59/75/27/356597527.db2.gz SLTCJAFOWFOFMM-UTUOFQBUSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccn2)[C@@H](C)C(=O)N1C ZINC000639688825 356597531 /nfs/dbraw/zinc/59/75/31/356597531.db2.gz SLTCJAFOWFOFMM-UTUOFQBUSA-N 1 2 247.342 1.521 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cscn1 ZINC000623304716 356598264 /nfs/dbraw/zinc/59/82/64/356598264.db2.gz DBAQVQLCUKHMEV-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000623305681 356600703 /nfs/dbraw/zinc/60/07/03/356600703.db2.gz XRRLVKLHYHFEMP-WDEREUQCSA-N 1 2 249.358 1.996 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623308291 356615849 /nfs/dbraw/zinc/61/58/49/356615849.db2.gz YULFSQZJCMLRRR-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO COc1ccc2[nH+]c(N(C)CCO)ccc2c1 ZINC000152866615 538458619 /nfs/dbraw/zinc/45/86/19/538458619.db2.gz KPBNAEJTZYPUPR-UHFFFAOYSA-N 1 2 232.283 1.672 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000450164699 202088513 /nfs/dbraw/zinc/08/85/13/202088513.db2.gz WGSHXDRUNOVBMC-VXGBXAGGSA-N 1 2 235.331 1.778 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000630094598 363538179 /nfs/dbraw/zinc/53/81/79/363538179.db2.gz JIEWPJNUSGTVAZ-MNOVXSKESA-N 1 2 234.299 1.289 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000630094596 363538425 /nfs/dbraw/zinc/53/84/25/363538425.db2.gz JIEWPJNUSGTVAZ-GHMZBOCLSA-N 1 2 234.299 1.289 20 0 BDADLO CC(=O)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000639749853 356644258 /nfs/dbraw/zinc/64/42/58/356644258.db2.gz KUXWWCCJQGAKJU-LBPRGKRZSA-N 1 2 225.332 1.999 20 0 BDADLO CC(=O)C[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000639749853 356644260 /nfs/dbraw/zinc/64/42/60/356644260.db2.gz KUXWWCCJQGAKJU-LBPRGKRZSA-N 1 2 225.332 1.999 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)[C@@H](C)O1 ZINC000630094378 363537249 /nfs/dbraw/zinc/53/72/49/363537249.db2.gz GXGIPCMNEIKNEY-KKZNHRDASA-N 1 2 222.288 1.552 20 0 BDADLO C[NH+](C)Cc1nc(CCc2ccco2)no1 ZINC000350643848 366313725 /nfs/dbraw/zinc/31/37/25/366313725.db2.gz LDMDUHFRHKDLEW-UHFFFAOYSA-N 1 2 221.260 1.509 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399394578 356657844 /nfs/dbraw/zinc/65/78/44/356657844.db2.gz UOLNACQMRWUFMV-ZYHUDNBSSA-N 1 2 231.299 1.663 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399394577 356657858 /nfs/dbraw/zinc/65/78/58/356657858.db2.gz UOLNACQMRWUFMV-PWSUYJOCSA-N 1 2 231.299 1.663 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C(C)(F)F ZINC000389460761 356680390 /nfs/dbraw/zinc/68/03/90/356680390.db2.gz FRIVBOVIWLNHSK-MRVPVSSYSA-N 1 2 242.269 1.919 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733140 325025218 /nfs/dbraw/zinc/02/52/18/325025218.db2.gz DNYKZSJEJYSHSD-BDAKNGLRSA-N 1 2 241.360 1.708 20 0 BDADLO Cc1cc(N[C@H]2CCOC[C@H]2C)c(C#N)c[nH+]1 ZINC000399410854 356693881 /nfs/dbraw/zinc/69/38/81/356693881.db2.gz ZHYUSVKZQGBPSB-SKDRFNHKSA-N 1 2 231.299 1.521 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnn1C)C(C)(F)F ZINC000389470537 356683979 /nfs/dbraw/zinc/68/39/79/356683979.db2.gz QGZHEDZZCZPONU-SSDOTTSWSA-N 1 2 203.236 1.553 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)c1ncnn1C)c1ccn(C)n1 ZINC000353343232 356709621 /nfs/dbraw/zinc/70/96/21/356709621.db2.gz JFQJSGDHYLSJHD-NXEZZACHSA-N 1 2 248.334 1.351 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000639786361 356739994 /nfs/dbraw/zinc/73/99/94/356739994.db2.gz AERCLHSLCFLYEF-SECBINFHSA-N 1 2 241.360 1.490 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC000639786361 356739996 /nfs/dbraw/zinc/73/99/96/356739996.db2.gz AERCLHSLCFLYEF-SECBINFHSA-N 1 2 241.360 1.490 20 0 BDADLO Cc1cc(N)nc(SC[C@@H](C)CO)[nH+]1 ZINC000154789103 538667762 /nfs/dbraw/zinc/66/77/62/538667762.db2.gz CCLRHTOGKRTLFL-LURJTMIESA-N 1 2 213.306 1.088 20 0 BDADLO CC[C@@H](O)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000354735674 356743604 /nfs/dbraw/zinc/74/36/04/356743604.db2.gz VIHYNKIGNOUWBU-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCOC(C)C)[nH]1 ZINC000354822643 356744468 /nfs/dbraw/zinc/74/44/68/356744468.db2.gz VZMFSRMVGDWSIF-UHFFFAOYSA-N 1 2 240.351 1.614 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCOC(C)C)[nH]1 ZINC000354822643 356744470 /nfs/dbraw/zinc/74/44/70/356744470.db2.gz VZMFSRMVGDWSIF-UHFFFAOYSA-N 1 2 240.351 1.614 20 0 BDADLO O=C(Nc1ccsc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639797913 356757655 /nfs/dbraw/zinc/75/76/55/356757655.db2.gz VMAAWVVYPUWZNT-VIFPVBQESA-N 1 2 248.311 1.691 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cc1noc(COC)n1 ZINC000356251413 356791738 /nfs/dbraw/zinc/79/17/38/356791738.db2.gz JVQOOQTUCQABLB-SECBINFHSA-N 1 2 225.292 1.590 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cc1noc(COC)n1 ZINC000356251413 356791742 /nfs/dbraw/zinc/79/17/42/356791742.db2.gz JVQOOQTUCQABLB-SECBINFHSA-N 1 2 225.292 1.590 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000639832249 356817492 /nfs/dbraw/zinc/81/74/92/356817492.db2.gz ABTRPJSAKZQUMM-CYBMUJFWSA-N 1 2 221.300 1.800 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000639832249 356817494 /nfs/dbraw/zinc/81/74/94/356817494.db2.gz ABTRPJSAKZQUMM-CYBMUJFWSA-N 1 2 221.300 1.800 20 0 BDADLO CO[C@H]1C[N@@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000639832208 356817516 /nfs/dbraw/zinc/81/75/16/356817516.db2.gz DIORZBHVUDQIOB-CMPLNLGQSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000639832208 356817519 /nfs/dbraw/zinc/81/75/19/356817519.db2.gz DIORZBHVUDQIOB-CMPLNLGQSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+](CCc2c(C)noc2C)CCO1 ZINC000639834781 356824935 /nfs/dbraw/zinc/82/49/35/356824935.db2.gz RURQNYFLJNTMLV-GFCCVEGCSA-N 1 2 240.303 1.139 20 0 BDADLO CO[C@H]1C[N@@H+](CCc2c(C)noc2C)CCO1 ZINC000639834781 356824937 /nfs/dbraw/zinc/82/49/37/356824937.db2.gz RURQNYFLJNTMLV-GFCCVEGCSA-N 1 2 240.303 1.139 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1cnns1 ZINC000450484924 202182755 /nfs/dbraw/zinc/18/27/55/202182755.db2.gz MNPSWCGDQZTDIA-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1cnns1 ZINC000450484924 202182759 /nfs/dbraw/zinc/18/27/59/202182759.db2.gz MNPSWCGDQZTDIA-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO CC(=O)C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000639861399 356867306 /nfs/dbraw/zinc/86/73/06/356867306.db2.gz SFKQECBWXDIAQW-SNVBAGLBSA-N 1 2 211.305 1.609 20 0 BDADLO CC(=O)C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000639861399 356867308 /nfs/dbraw/zinc/86/73/08/356867308.db2.gz SFKQECBWXDIAQW-SNVBAGLBSA-N 1 2 211.305 1.609 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCS1 ZINC000352051477 538712940 /nfs/dbraw/zinc/71/29/40/538712940.db2.gz BYMTUQBCYKRPOT-JTQLQIEISA-N 1 2 239.344 1.354 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCS1 ZINC000352051477 538712947 /nfs/dbraw/zinc/71/29/47/538712947.db2.gz BYMTUQBCYKRPOT-JTQLQIEISA-N 1 2 239.344 1.354 20 0 BDADLO COCCCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000623367034 356844446 /nfs/dbraw/zinc/84/44/46/356844446.db2.gz UJIFOCWIBHPENG-UHFFFAOYSA-N 1 2 247.298 1.409 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC(F)(F)F ZINC000352128945 538717377 /nfs/dbraw/zinc/71/73/77/538717377.db2.gz KSFPKZJMQYHUJJ-UHFFFAOYSA-N 1 2 221.182 1.021 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC(F)(F)F ZINC000352128945 538717379 /nfs/dbraw/zinc/71/73/79/538717379.db2.gz KSFPKZJMQYHUJJ-UHFFFAOYSA-N 1 2 221.182 1.021 20 0 BDADLO Nc1nc(NC[C@@H]2CCCO2)[nH+]c2ccccc12 ZINC000041146502 356858261 /nfs/dbraw/zinc/85/82/61/356858261.db2.gz LGJNAMXLZOHAIP-VIFPVBQESA-N 1 2 244.298 1.803 20 0 BDADLO CC[N@@H+](Cc1csnn1)C[C@@H](C)OC ZINC000361009550 356915397 /nfs/dbraw/zinc/91/53/97/356915397.db2.gz LLOCSLNJWOATGN-MRVPVSSYSA-N 1 2 215.322 1.395 20 0 BDADLO CC[N@H+](Cc1csnn1)C[C@@H](C)OC ZINC000361009550 356915401 /nfs/dbraw/zinc/91/54/01/356915401.db2.gz LLOCSLNJWOATGN-MRVPVSSYSA-N 1 2 215.322 1.395 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CCCCO1 ZINC000359626412 356892224 /nfs/dbraw/zinc/89/22/24/356892224.db2.gz AIGWCHZUEZSFJE-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@H]1CCCCO1 ZINC000359626412 356892230 /nfs/dbraw/zinc/89/22/30/356892230.db2.gz AIGWCHZUEZSFJE-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CCN(c1[nH+]c(C)nc2[nH]ccc21)[C@H]1CCOC1 ZINC000359968150 356898990 /nfs/dbraw/zinc/89/89/90/356898990.db2.gz NWIWUSWTVKYUIV-JTQLQIEISA-N 1 2 246.314 1.882 20 0 BDADLO CCC[C@@H](CNc1[nH+]c(C)nc2[nH]ccc21)OC ZINC000450579135 202203195 /nfs/dbraw/zinc/20/31/95/202203195.db2.gz BVEDWLNMUVVAHV-JTQLQIEISA-N 1 2 248.330 1.915 20 0 BDADLO CCOC1(C)CN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000450577355 202203365 /nfs/dbraw/zinc/20/33/65/202203365.db2.gz GNAFVJOLEVQTOE-UHFFFAOYSA-N 1 2 235.331 1.963 20 0 BDADLO C[C@H]1[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1(F)F ZINC000582306716 357044351 /nfs/dbraw/zinc/04/43/51/357044351.db2.gz BKHWEHUNQYSCQQ-BQBZGAKWSA-N 1 2 243.257 1.662 20 0 BDADLO C[N@H+](CCN=c1nc(C(C)(C)C)o[nH]1)C1CC1 ZINC000543693643 325101241 /nfs/dbraw/zinc/10/12/41/325101241.db2.gz FLXZABXHPFZODT-UHFFFAOYSA-N 1 2 238.335 1.295 20 0 BDADLO C[N@@H+](CCN=c1nc(C(C)(C)C)o[nH]1)C1CC1 ZINC000543693643 325101244 /nfs/dbraw/zinc/10/12/44/325101244.db2.gz FLXZABXHPFZODT-UHFFFAOYSA-N 1 2 238.335 1.295 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1ccoc1 ZINC000355266394 538791329 /nfs/dbraw/zinc/79/13/29/538791329.db2.gz NCDJDIFVOUYQAN-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO CC(C)CCC(=O)NCc1c[nH+]cn1C ZINC000355252284 538792197 /nfs/dbraw/zinc/79/21/97/538792197.db2.gz LEUWKJRWJFGTFP-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000582428180 357146412 /nfs/dbraw/zinc/14/64/12/357146412.db2.gz CQHYPVJARLATTG-SKDRFNHKSA-N 1 2 238.310 1.774 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CCC[C@](C)(F)C1 ZINC000582428180 357146417 /nfs/dbraw/zinc/14/64/17/357146417.db2.gz CQHYPVJARLATTG-SKDRFNHKSA-N 1 2 238.310 1.774 20 0 BDADLO Cc1cc(C)nc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000582439221 357158206 /nfs/dbraw/zinc/15/82/06/357158206.db2.gz UVKSNWMMCRSGOB-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000356638564 538812108 /nfs/dbraw/zinc/81/21/08/538812108.db2.gz CRRIZWCHHVTESZ-NSHDSACASA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000356638564 538812114 /nfs/dbraw/zinc/81/21/14/538812114.db2.gz CRRIZWCHHVTESZ-NSHDSACASA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483327 357234539 /nfs/dbraw/zinc/23/45/39/357234539.db2.gz BOVPTOQVWWDDQC-SECBINFHSA-N 1 2 224.308 1.346 20 0 BDADLO CC(C)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483327 357234545 /nfs/dbraw/zinc/23/45/45/357234545.db2.gz BOVPTOQVWWDDQC-SECBINFHSA-N 1 2 224.308 1.346 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)C(F)(F)F ZINC000356778484 538816789 /nfs/dbraw/zinc/81/67/89/538816789.db2.gz LMXAIFOYLANIRM-LURJTMIESA-N 1 2 235.209 1.235 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)F ZINC000639900447 357285397 /nfs/dbraw/zinc/28/53/97/357285397.db2.gz SWTDAXHGNYMDHE-UHFFFAOYSA-N 1 2 225.267 1.682 20 0 BDADLO C[N@H+](CCn1cc[nH+]c1)C1(C(=O)[O-])CCCC1 ZINC000393829594 357302627 /nfs/dbraw/zinc/30/26/27/357302627.db2.gz KPVPWFOUSPUSCT-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO C[N@@H+](CCn1cc[nH+]c1)C1(C(=O)[O-])CCCC1 ZINC000393829594 357302630 /nfs/dbraw/zinc/30/26/30/357302630.db2.gz KPVPWFOUSPUSCT-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO Cc1ncsc1C[NH+]1CC2(C1)CCCO2 ZINC000628427249 357257035 /nfs/dbraw/zinc/25/70/35/357257035.db2.gz OZRYBCNURSAMIH-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1ccc2oc(=NCc3c[nH+]cn3C)[nH]c2c1 ZINC000357579676 538830750 /nfs/dbraw/zinc/83/07/50/538830750.db2.gz JETIGXKEUQVEHM-UHFFFAOYSA-N 1 2 242.282 1.904 20 0 BDADLO COCC1(NC(=O)C[NH+]2CC(C)(C)C2)CCC1 ZINC000582675430 357361290 /nfs/dbraw/zinc/36/12/90/357361290.db2.gz INXQZPNJIWURKH-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ncnn1C(C)C ZINC000582676247 357362620 /nfs/dbraw/zinc/36/26/20/357362620.db2.gz FEABNGAIAAMULN-UHFFFAOYSA-N 1 2 246.318 1.300 20 0 BDADLO CC[C@@](C)(CNc1nc(C)[nH+]cc1C)OC ZINC000582915556 357435704 /nfs/dbraw/zinc/43/57/04/357435704.db2.gz HADJLWFKBZJMGB-LBPRGKRZSA-N 1 2 223.320 1.742 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(F)cn1 ZINC000583058206 357469727 /nfs/dbraw/zinc/46/97/27/357469727.db2.gz KOQNUQPZHPXCAT-UHFFFAOYSA-N 1 2 220.207 1.056 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000583060627 357471018 /nfs/dbraw/zinc/47/10/18/357471018.db2.gz QJKKIFZENOYMJL-NNYUYHANSA-N 1 2 248.330 1.369 20 0 BDADLO C[N@H+](C[C@@H](O)C(F)(F)F)CC1(F)CC1 ZINC000583111550 357476809 /nfs/dbraw/zinc/47/68/09/357476809.db2.gz YOKPCMNSMKRWJV-ZCFIWIBFSA-N 1 2 215.190 1.344 20 0 BDADLO C[N@@H+](C[C@@H](O)C(F)(F)F)CC1(F)CC1 ZINC000583111550 357476812 /nfs/dbraw/zinc/47/68/12/357476812.db2.gz YOKPCMNSMKRWJV-ZCFIWIBFSA-N 1 2 215.190 1.344 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000230376979 357531206 /nfs/dbraw/zinc/53/12/06/357531206.db2.gz LXRYSTRAKZULNX-LLVKDONJSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000230376979 357531207 /nfs/dbraw/zinc/53/12/07/357531207.db2.gz LXRYSTRAKZULNX-LLVKDONJSA-N 1 2 225.292 1.115 20 0 BDADLO C[C@@H]1CC[C@H](C[NH+]2CCN(CC3CC3)CC2)O1 ZINC000188540864 357559714 /nfs/dbraw/zinc/55/97/14/357559714.db2.gz YXOQBNHXBXARLY-TZMCWYRMSA-N 1 2 238.375 1.582 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000232588424 357672044 /nfs/dbraw/zinc/67/20/44/357672044.db2.gz UMMHZIJRLWHOJZ-ZYHUDNBSSA-N 1 2 241.331 1.485 20 0 BDADLO O=C(C[C@H]1C=CCCC1)NCCc1[nH]cc[nH+]1 ZINC000189396304 357636392 /nfs/dbraw/zinc/63/63/92/357636392.db2.gz GXUKHYXUJRGNTF-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497820 357710132 /nfs/dbraw/zinc/71/01/32/357710132.db2.gz VRGQAMGBTFWXEI-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497820 357710137 /nfs/dbraw/zinc/71/01/37/357710137.db2.gz VRGQAMGBTFWXEI-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000233698463 357732412 /nfs/dbraw/zinc/73/24/12/357732412.db2.gz NLZAHBYBXYNXTO-SDDRHHMPSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)C1([NH2+]C[C@H]2CC[C@H](C)O2)CCCC1 ZINC000190972607 357735794 /nfs/dbraw/zinc/73/57/94/357735794.db2.gz AJDMTRASEHVDKM-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)CC(C)=O)c1C ZINC000639925146 357812976 /nfs/dbraw/zinc/81/29/76/357812976.db2.gz RHDOBIBJXJBSDO-UHFFFAOYSA-N 1 2 223.320 1.541 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)CC(C)=O)c1C ZINC000639925146 357812980 /nfs/dbraw/zinc/81/29/80/357812980.db2.gz RHDOBIBJXJBSDO-UHFFFAOYSA-N 1 2 223.320 1.541 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@@H+]1CC1CCCC1 ZINC000192059909 357816033 /nfs/dbraw/zinc/81/60/33/357816033.db2.gz DEUBKHNEVKULMV-LLVKDONJSA-N 1 2 245.388 1.686 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@H+]1CC1CCCC1 ZINC000192059909 357816038 /nfs/dbraw/zinc/81/60/38/357816038.db2.gz DEUBKHNEVKULMV-LLVKDONJSA-N 1 2 245.388 1.686 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000191989658 357819634 /nfs/dbraw/zinc/81/96/34/357819634.db2.gz FXNYEKFNFFBKPK-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000191989658 357819636 /nfs/dbraw/zinc/81/96/36/357819636.db2.gz FXNYEKFNFFBKPK-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CCN1CN(Cc2[nH+]ccn2C(C)C)CC1=O ZINC000191577650 357785347 /nfs/dbraw/zinc/78/53/47/357785347.db2.gz XQEQBSXDWSOSMU-UHFFFAOYSA-N 1 2 236.319 1.086 20 0 BDADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccsc1 ZINC000398110154 357842705 /nfs/dbraw/zinc/84/27/05/357842705.db2.gz MNIOUDQYQCJFOE-VIFPVBQESA-N 1 2 237.332 1.513 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926323 357844996 /nfs/dbraw/zinc/84/49/96/357844996.db2.gz WTDWCMUFYGBDTE-LBPRGKRZSA-N 1 2 236.315 1.751 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926323 357844998 /nfs/dbraw/zinc/84/49/98/357844998.db2.gz WTDWCMUFYGBDTE-LBPRGKRZSA-N 1 2 236.315 1.751 20 0 BDADLO COC[C@H](C)C[NH2+][C@@H](C)C(=O)OC(C)C ZINC000583303279 357888775 /nfs/dbraw/zinc/88/87/75/357888775.db2.gz ZUVBXDDOFDYENU-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCn2ccnc2C1 ZINC000218433238 357924771 /nfs/dbraw/zinc/92/47/71/357924771.db2.gz QZBQDIIHAXFAIX-VXGBXAGGSA-N 1 2 235.331 1.250 20 0 BDADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCn2ccnc2C1 ZINC000218433238 357924772 /nfs/dbraw/zinc/92/47/72/357924772.db2.gz QZBQDIIHAXFAIX-VXGBXAGGSA-N 1 2 235.331 1.250 20 0 BDADLO COc1cncc(NCc2c[nH+]cn2C(C)C)n1 ZINC000584412181 357915151 /nfs/dbraw/zinc/91/51/51/357915151.db2.gz WVUIFQUTIAOPNO-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO CO[C@@H](CNc1nc(C)[nH+]cc1C)C(C)C ZINC000584421270 357918053 /nfs/dbraw/zinc/91/80/53/357918053.db2.gz JZFDPCNDDKAMPF-NSHDSACASA-N 1 2 223.320 1.598 20 0 BDADLO CCC(F)(F)C[NH2+][C@](C)(CO)COC ZINC000639958837 357983615 /nfs/dbraw/zinc/98/36/15/357983615.db2.gz WKGRRPZRBIJRDS-MRVPVSSYSA-N 1 2 211.252 1.019 20 0 BDADLO COc1ccncc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000584478188 357995975 /nfs/dbraw/zinc/99/59/75/357995975.db2.gz KLEZOFYULLRAAY-SNVBAGLBSA-N 1 2 249.314 1.369 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2c[nH]nc2C)on1 ZINC000639967781 358021126 /nfs/dbraw/zinc/02/11/26/358021126.db2.gz NOERFPYZYMLCDT-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2c[nH]nc2C)on1 ZINC000639967781 358021129 /nfs/dbraw/zinc/02/11/29/358021129.db2.gz NOERFPYZYMLCDT-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC[C@H](C)O ZINC000639970087 358023196 /nfs/dbraw/zinc/02/31/96/358023196.db2.gz BFRCYLYYKVLKJE-VIFPVBQESA-N 1 2 211.309 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC[C@H](C)O ZINC000639970087 358023200 /nfs/dbraw/zinc/02/32/00/358023200.db2.gz BFRCYLYYKVLKJE-VIFPVBQESA-N 1 2 211.309 1.311 20 0 BDADLO CCN(C)C(=O)CC[N@H+](C)Cc1cn[nH]c1C ZINC000639970263 358023265 /nfs/dbraw/zinc/02/32/65/358023265.db2.gz MTMKJEQMOMFFBL-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CCN(C)C(=O)CC[N@@H+](C)Cc1cn[nH]c1C ZINC000639970263 358023268 /nfs/dbraw/zinc/02/32/68/358023268.db2.gz MTMKJEQMOMFFBL-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000639970957 358024527 /nfs/dbraw/zinc/02/45/27/358024527.db2.gz LZDMAIDENGSAEU-CABZTGNLSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000639970957 358024531 /nfs/dbraw/zinc/02/45/31/358024531.db2.gz LZDMAIDENGSAEU-CABZTGNLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cnc(C)nc1 ZINC000351729295 535387111 /nfs/dbraw/zinc/38/71/11/535387111.db2.gz FWFGXYYSXAOSRR-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cnc(C)nc1 ZINC000351729295 535387118 /nfs/dbraw/zinc/38/71/18/535387118.db2.gz FWFGXYYSXAOSRR-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)c1ccc(F)cc1 ZINC000085192019 134247625 /nfs/dbraw/zinc/24/76/25/134247625.db2.gz IIXOGRLVOYNDBQ-MRXNPFEDSA-N 1 2 238.287 1.867 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H](CCO)C2)no1 ZINC000051916282 358100441 /nfs/dbraw/zinc/10/04/41/358100441.db2.gz VTBUWOZQEJYCRS-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H](CCO)C2)no1 ZINC000051916282 358100444 /nfs/dbraw/zinc/10/04/44/358100444.db2.gz VTBUWOZQEJYCRS-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCc1noc(C[N@H+](C(C)C)[C@H]2CCOC2)n1 ZINC000643388235 491120942 /nfs/dbraw/zinc/12/09/42/491120942.db2.gz ZJRHCYBSIFBTDO-JTQLQIEISA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@@H+](C(C)C)[C@H]2CCOC2)n1 ZINC000643388235 491120943 /nfs/dbraw/zinc/12/09/43/491120943.db2.gz ZJRHCYBSIFBTDO-JTQLQIEISA-N 1 2 239.319 1.631 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](CCF)C2)o1 ZINC000628459247 358093688 /nfs/dbraw/zinc/09/36/88/358093688.db2.gz NVEXTGBIUUCIPS-JTQLQIEISA-N 1 2 228.267 1.543 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](CCF)C2)o1 ZINC000628459247 358093689 /nfs/dbraw/zinc/09/36/89/358093689.db2.gz NVEXTGBIUUCIPS-JTQLQIEISA-N 1 2 228.267 1.543 20 0 BDADLO c1snnc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000628463223 358118896 /nfs/dbraw/zinc/11/88/96/358118896.db2.gz WOBYWANWPPPNPE-WPRPVWTQSA-N 1 2 225.317 1.195 20 0 BDADLO CC1(F)CC[NH+](Cc2cnns2)CC1 ZINC000640070828 358157414 /nfs/dbraw/zinc/15/74/14/358157414.db2.gz DSMXPEDUDZVJIZ-UHFFFAOYSA-N 1 2 215.297 1.862 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CCCCC2 ZINC000584673516 358147250 /nfs/dbraw/zinc/14/72/50/358147250.db2.gz LZRLTXKMBSZVII-LBPRGKRZSA-N 1 2 247.342 1.802 20 0 BDADLO Cc1nc(N2Cc3ccccc3C2)nc(N)[nH+]1 ZINC000383664427 358149019 /nfs/dbraw/zinc/14/90/19/358149019.db2.gz KENDGJUOVWWXFO-UHFFFAOYSA-N 1 2 227.271 1.113 20 0 BDADLO Cc1nc(N)nc(N2Cc3ccccc3C2)[nH+]1 ZINC000383664427 358149024 /nfs/dbraw/zinc/14/90/24/358149024.db2.gz KENDGJUOVWWXFO-UHFFFAOYSA-N 1 2 227.271 1.113 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC1CC1 ZINC000584789506 358179469 /nfs/dbraw/zinc/17/94/69/358179469.db2.gz XYWPWGOTKGSLJK-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC1CC1 ZINC000584789506 358179470 /nfs/dbraw/zinc/17/94/70/358179470.db2.gz XYWPWGOTKGSLJK-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]1C1CC1 ZINC000450646762 202225131 /nfs/dbraw/zinc/22/51/31/202225131.db2.gz SIJSAPPCRUVJSA-SNVBAGLBSA-N 1 2 229.287 1.352 20 0 BDADLO Nc1cc(CN2CCCCCO2)cc[nH+]1 ZINC000640122430 358201760 /nfs/dbraw/zinc/20/17/60/358201760.db2.gz KNZHCIBVBOEZHW-UHFFFAOYSA-N 1 2 207.277 1.412 20 0 BDADLO CCN(c1cc(C)[nH+]c(C2CC2)n1)C1COC1 ZINC000450656935 202227933 /nfs/dbraw/zinc/22/79/33/202227933.db2.gz YGBPOUOLDXPXFK-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO Cn1c[nH+]cc1CN1Cc2ccccc2CO1 ZINC000640124749 358204058 /nfs/dbraw/zinc/20/40/58/358204058.db2.gz GHZIYCNZWUUTJN-UHFFFAOYSA-N 1 2 229.283 1.868 20 0 BDADLO CCc1cc(N2CCC[C@H]2CC(=O)OC)nc[nH+]1 ZINC000610930291 358245730 /nfs/dbraw/zinc/24/57/30/358245730.db2.gz SMZOKPSWPFFECF-NSHDSACASA-N 1 2 249.314 1.571 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)[C@H](C)CO)C(=O)OC(C)(C)C ZINC000450735484 202248210 /nfs/dbraw/zinc/24/82/10/202248210.db2.gz AWJPAZDZVSYJOQ-VWYCJHECSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]nn1)[C@@H]1COc2ccccc21 ZINC000450734675 202248789 /nfs/dbraw/zinc/24/87/89/202248789.db2.gz CZRLTKQEBIULIN-CABZTGNLSA-N 1 2 244.298 1.459 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]n1)[C@@H]1COc2ccccc21 ZINC000450734675 202248792 /nfs/dbraw/zinc/24/87/92/202248792.db2.gz CZRLTKQEBIULIN-CABZTGNLSA-N 1 2 244.298 1.459 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000225801325 358312749 /nfs/dbraw/zinc/31/27/49/358312749.db2.gz GNRQLLLQVPQTBK-HBNTYKKESA-N 1 2 243.347 1.874 20 0 BDADLO CCC1(CC)C[N@H+](Cc2cnn[nH]2)CCS1 ZINC000450772823 202261472 /nfs/dbraw/zinc/26/14/72/202261472.db2.gz LTBGGNOTOCCLEZ-UHFFFAOYSA-N 1 2 240.376 1.912 20 0 BDADLO CCC1(CC)C[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000450772823 202261476 /nfs/dbraw/zinc/26/14/76/202261476.db2.gz LTBGGNOTOCCLEZ-UHFFFAOYSA-N 1 2 240.376 1.912 20 0 BDADLO CCC1(CC)C[N@H+](Cc2c[nH]nn2)CCS1 ZINC000450772823 202261479 /nfs/dbraw/zinc/26/14/79/202261479.db2.gz LTBGGNOTOCCLEZ-UHFFFAOYSA-N 1 2 240.376 1.912 20 0 BDADLO CCC1(CC)C[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000450772823 202261483 /nfs/dbraw/zinc/26/14/83/202261483.db2.gz LTBGGNOTOCCLEZ-UHFFFAOYSA-N 1 2 240.376 1.912 20 0 BDADLO CCC1(CC)C[N@H+](Cc2cn[nH]n2)CCS1 ZINC000450772823 202261487 /nfs/dbraw/zinc/26/14/87/202261487.db2.gz LTBGGNOTOCCLEZ-UHFFFAOYSA-N 1 2 240.376 1.912 20 0 BDADLO CCC1(CC)C[N@@H+](Cc2cn[nH]n2)CCS1 ZINC000450772823 202261491 /nfs/dbraw/zinc/26/14/91/202261491.db2.gz LTBGGNOTOCCLEZ-UHFFFAOYSA-N 1 2 240.376 1.912 20 0 BDADLO C[C@H](c1ccccn1)N(C)Cc1[nH]cc[nH+]1 ZINC000091701808 491131553 /nfs/dbraw/zinc/13/15/53/491131553.db2.gz HZAIHPRPFWXDMK-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccccn2)no1 ZINC000044293770 358406913 /nfs/dbraw/zinc/40/69/13/358406913.db2.gz URRJGNAHILDKMU-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)OCC ZINC000228863029 358386943 /nfs/dbraw/zinc/38/69/43/358386943.db2.gz MEOUOPMTGIUBLV-HBNTYKKESA-N 1 2 243.347 1.467 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000130767358 358642458 /nfs/dbraw/zinc/64/24/58/358642458.db2.gz IPSVMHLSHZZBSY-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000130767358 358642460 /nfs/dbraw/zinc/64/24/60/358642460.db2.gz IPSVMHLSHZZBSY-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO Cc1ccc(C(N)=O)cc1NCc1[nH+]ccn1C ZINC000133721979 358766269 /nfs/dbraw/zinc/76/62/69/358766269.db2.gz JELBBRIIWOYPQV-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CC(C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000132504767 358727393 /nfs/dbraw/zinc/72/73/93/358727393.db2.gz ISUJOFAUXUBKND-UHFFFAOYSA-N 1 2 238.335 1.036 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)C(=O)OC ZINC000134970706 358813950 /nfs/dbraw/zinc/81/39/50/358813950.db2.gz MXIJXVHTKXEOMY-NWDGAFQWSA-N 1 2 249.310 1.531 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC1 ZINC000578245749 366469272 /nfs/dbraw/zinc/46/92/72/366469272.db2.gz XSYLHXKUVDQISL-QMMMGPOBSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC1 ZINC000578245749 366469279 /nfs/dbraw/zinc/46/92/79/366469279.db2.gz XSYLHXKUVDQISL-QMMMGPOBSA-N 1 2 207.277 1.209 20 0 BDADLO O=C(CCCF)N[C@H]1CCn2cc[nH+]c2C1 ZINC000613670862 363618730 /nfs/dbraw/zinc/61/87/30/363618730.db2.gz UIUAVONBLXKEEB-VIFPVBQESA-N 1 2 225.267 1.064 20 0 BDADLO CCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054485718 358863809 /nfs/dbraw/zinc/86/38/09/358863809.db2.gz FVFFHENPAGOQSA-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057989 358880022 /nfs/dbraw/zinc/88/00/22/358880022.db2.gz LXPHYCGLVDUFFO-JTQLQIEISA-N 1 2 238.331 1.935 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057989 358880024 /nfs/dbraw/zinc/88/00/24/358880024.db2.gz LXPHYCGLVDUFFO-JTQLQIEISA-N 1 2 238.331 1.935 20 0 BDADLO COc1cc(C[NH2+][C@H]2CCCn3nccc32)on1 ZINC000640221431 358894534 /nfs/dbraw/zinc/89/45/34/358894534.db2.gz XMSFMRJYZBTJFI-JTQLQIEISA-N 1 2 248.286 1.504 20 0 BDADLO O=C(NCc1ccco1)c1ccc2[nH+]ccn2c1 ZINC000057757045 358907411 /nfs/dbraw/zinc/90/74/11/358907411.db2.gz NPZHCNMNWMJPJH-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnccn2)C[C@H](C)O1 ZINC000578321810 366509815 /nfs/dbraw/zinc/50/98/15/366509815.db2.gz JKZPRGCQJSYQGH-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnccn2)C[C@H](C)O1 ZINC000578321810 366509817 /nfs/dbraw/zinc/50/98/17/366509817.db2.gz JKZPRGCQJSYQGH-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H](NC(=O)c1ccc(C)nc1)c1[nH]cc[nH+]1 ZINC000140458278 358922357 /nfs/dbraw/zinc/92/23/57/358922357.db2.gz WLWWNVPIZCRCGK-LLVKDONJSA-N 1 2 244.298 1.994 20 0 BDADLO CC[C@@H](NC(=O)CCn1cc[nH+]c1)c1ncc[nH]1 ZINC000140660969 358923956 /nfs/dbraw/zinc/92/39/56/358923956.db2.gz UZWPRXISFJMCKM-SNVBAGLBSA-N 1 2 247.302 1.264 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000070979105 359067474 /nfs/dbraw/zinc/06/74/74/359067474.db2.gz PGAIZEYPDGIAGX-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246521423 359143822 /nfs/dbraw/zinc/14/38/22/359143822.db2.gz PHMPICPKEAHUOB-FZMZJTMJSA-N 1 2 248.326 1.108 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246521423 359143829 /nfs/dbraw/zinc/14/38/29/359143829.db2.gz PHMPICPKEAHUOB-FZMZJTMJSA-N 1 2 248.326 1.108 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247951772 359249178 /nfs/dbraw/zinc/24/91/78/359249178.db2.gz FDDHKDGXJJBZBA-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000247951772 359249185 /nfs/dbraw/zinc/24/91/85/359249185.db2.gz FDDHKDGXJJBZBA-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000075783876 359210325 /nfs/dbraw/zinc/21/03/25/359210325.db2.gz HTPUNKMTTRKLTR-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000075783876 359210328 /nfs/dbraw/zinc/21/03/28/359210328.db2.gz HTPUNKMTTRKLTR-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N[C@H](C)C(C)C ZINC000247305309 359211736 /nfs/dbraw/zinc/21/17/36/359211736.db2.gz VJCULMIBNBJLQD-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)N[C@H](C)C(C)C ZINC000247305309 359211743 /nfs/dbraw/zinc/21/17/43/359211743.db2.gz VJCULMIBNBJLQD-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247340838 359213648 /nfs/dbraw/zinc/21/36/48/359213648.db2.gz GRLBWWKJDQUKCG-NDBYEHHHSA-N 1 2 247.342 1.949 20 0 BDADLO Cn1nncc1C[NH+]1CC(Cc2cccs2)C1 ZINC000628479056 359313968 /nfs/dbraw/zinc/31/39/68/359313968.db2.gz YAFBSISTLXFGHT-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO Cc1nocc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000633279075 359277088 /nfs/dbraw/zinc/27/70/88/359277088.db2.gz OAPMHGXONOJCMJ-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000292979706 359374581 /nfs/dbraw/zinc/37/45/81/359374581.db2.gz MYHXHWWMFABUBX-GFCCVEGCSA-N 1 2 223.320 1.441 20 0 BDADLO COC(=O)CCC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000152523540 359345352 /nfs/dbraw/zinc/34/53/52/359345352.db2.gz ADLZPXXKSLZTOU-SNVBAGLBSA-N 1 2 245.319 1.117 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000611934321 359480961 /nfs/dbraw/zinc/48/09/61/359480961.db2.gz CRYPDCKMXGYMEP-VWYCJHECSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000611934321 359480965 /nfs/dbraw/zinc/48/09/65/359480965.db2.gz CRYPDCKMXGYMEP-VWYCJHECSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CC2(CC2)C1 ZINC000611794404 359452898 /nfs/dbraw/zinc/45/28/98/359452898.db2.gz IPCRUSFLCGSMEH-UHFFFAOYSA-N 1 2 219.288 1.525 20 0 BDADLO COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CCO ZINC000162787759 359520636 /nfs/dbraw/zinc/52/06/36/359520636.db2.gz IFHFCHYTJVMDAZ-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CCO ZINC000162787759 359520640 /nfs/dbraw/zinc/52/06/40/359520640.db2.gz IFHFCHYTJVMDAZ-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO CCc1nc(C[NH+]2CCC(CCO)CC2)no1 ZINC000379579657 359552589 /nfs/dbraw/zinc/55/25/89/359552589.db2.gz FQSVNMSMNMMXHU-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC2(CCC2)C[C@@H]1C ZINC000580465448 359570184 /nfs/dbraw/zinc/57/01/84/359570184.db2.gz JIMGDEISUJNSBZ-VIFPVBQESA-N 1 2 248.330 1.836 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC2(CCC2)C[C@@H]1C ZINC000580465448 359570187 /nfs/dbraw/zinc/57/01/87/359570187.db2.gz JIMGDEISUJNSBZ-VIFPVBQESA-N 1 2 248.330 1.836 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000580465817 359570474 /nfs/dbraw/zinc/57/04/74/359570474.db2.gz XWOVPIUJNGRPAV-VGMNWLOBSA-N 1 2 223.276 1.196 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000580465817 359570476 /nfs/dbraw/zinc/57/04/76/359570476.db2.gz XWOVPIUJNGRPAV-VGMNWLOBSA-N 1 2 223.276 1.196 20 0 BDADLO COCC(COC)Nc1cc[nH+]c2ccncc12 ZINC000450789133 202265141 /nfs/dbraw/zinc/26/51/41/202265141.db2.gz INCXLDJGGGWFRO-UHFFFAOYSA-N 1 2 247.298 1.125 20 0 BDADLO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)nc[nH+]1 ZINC000450804117 202269920 /nfs/dbraw/zinc/26/99/20/202269920.db2.gz BUVJQVZGNQMLET-FRRDWIJNSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1cc(N[C@@H]2COCC2(C)C)nc(C2CC2)[nH+]1 ZINC000450857252 202289897 /nfs/dbraw/zinc/28/98/97/202289897.db2.gz QNBCZQSFXRHWHZ-LLVKDONJSA-N 1 2 247.342 1.921 20 0 BDADLO CCC1(CNc2cc[nH+]c(C3CC3)n2)COC1 ZINC000450848096 202287892 /nfs/dbraw/zinc/28/78/92/202287892.db2.gz SXVVUOAATOTUQJ-UHFFFAOYSA-N 1 2 233.315 1.614 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000612385302 359819275 /nfs/dbraw/zinc/81/92/75/359819275.db2.gz JSZOMUQHDIRFHM-QMMMGPOBSA-N 1 2 245.286 1.185 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000612385302 359819281 /nfs/dbraw/zinc/81/92/81/359819281.db2.gz JSZOMUQHDIRFHM-QMMMGPOBSA-N 1 2 245.286 1.185 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(=O)NC ZINC000450947655 202317341 /nfs/dbraw/zinc/31/73/41/202317341.db2.gz ZFMPYIBOBSZRJA-SNVBAGLBSA-N 1 2 248.330 1.021 20 0 BDADLO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000450969752 202322291 /nfs/dbraw/zinc/32/22/91/202322291.db2.gz LVOJJPCGJPWDHX-UWVGGRQHSA-N 1 2 226.349 1.569 20 0 BDADLO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000450969752 202322293 /nfs/dbraw/zinc/32/22/93/202322293.db2.gz LVOJJPCGJPWDHX-UWVGGRQHSA-N 1 2 226.349 1.569 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000578419090 366564076 /nfs/dbraw/zinc/56/40/76/366564076.db2.gz PQXYGLDTBQIUAE-ZSBIGDGJSA-N 1 2 248.330 1.060 20 0 BDADLO CC[N@H+](C[C@@H](C)OC)[C@H](C)c1csnn1 ZINC000451058213 202332047 /nfs/dbraw/zinc/33/20/47/202332047.db2.gz LKXDWZNJUIYWCY-RKDXNWHRSA-N 1 2 229.349 1.956 20 0 BDADLO CC[N@@H+](C[C@@H](C)OC)[C@H](C)c1csnn1 ZINC000451058213 202332051 /nfs/dbraw/zinc/33/20/51/202332051.db2.gz LKXDWZNJUIYWCY-RKDXNWHRSA-N 1 2 229.349 1.956 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1cnns1 ZINC000451058996 202340505 /nfs/dbraw/zinc/34/05/05/202340505.db2.gz WHKFFXXKIGXVTA-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1cnns1 ZINC000451058996 202340509 /nfs/dbraw/zinc/34/05/09/202340509.db2.gz WHKFFXXKIGXVTA-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(C(C)=O)cc1 ZINC000451069886 202346287 /nfs/dbraw/zinc/34/62/87/202346287.db2.gz VPEIVLOVHJNLRH-UHFFFAOYSA-N 1 2 248.326 1.587 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(C(C)=O)cc1 ZINC000451069886 202346290 /nfs/dbraw/zinc/34/62/90/202346290.db2.gz VPEIVLOVHJNLRH-UHFFFAOYSA-N 1 2 248.326 1.587 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451112656 202354185 /nfs/dbraw/zinc/35/41/85/202354185.db2.gz APOLXJRKPHIQQJ-CMPLNLGQSA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451112656 202354188 /nfs/dbraw/zinc/35/41/88/202354188.db2.gz APOLXJRKPHIQQJ-CMPLNLGQSA-N 1 2 230.327 1.725 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451117170 202357315 /nfs/dbraw/zinc/35/73/15/202357315.db2.gz UPLDMBKIXHQPPP-CYBMUJFWSA-N 1 2 242.338 1.679 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451117170 202357318 /nfs/dbraw/zinc/35/73/18/202357318.db2.gz UPLDMBKIXHQPPP-CYBMUJFWSA-N 1 2 242.338 1.679 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451186197 202372604 /nfs/dbraw/zinc/37/26/04/202372604.db2.gz MKPZSBGNESPCRA-JTQLQIEISA-N 1 2 216.300 1.337 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451186197 202372606 /nfs/dbraw/zinc/37/26/06/202372606.db2.gz MKPZSBGNESPCRA-JTQLQIEISA-N 1 2 216.300 1.337 20 0 BDADLO COC[C@@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000087263080 359904363 /nfs/dbraw/zinc/90/43/63/359904363.db2.gz ARUOHQMZGULHGY-VIFPVBQESA-N 1 2 225.292 1.041 20 0 BDADLO CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451193788 202375729 /nfs/dbraw/zinc/37/57/29/202375729.db2.gz VLNLXPCHYXGQFK-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO CCCN(CCC)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451193788 202375731 /nfs/dbraw/zinc/37/57/31/202375731.db2.gz VLNLXPCHYXGQFK-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451193787 202376482 /nfs/dbraw/zinc/37/64/82/202376482.db2.gz VLNLXPCHYXGQFK-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451193787 202376485 /nfs/dbraw/zinc/37/64/85/202376485.db2.gz VLNLXPCHYXGQFK-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](F)C1 ZINC000451191802 202376993 /nfs/dbraw/zinc/37/69/93/202376993.db2.gz RTPHDWSYQDYTLO-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](F)C1 ZINC000451191802 202376995 /nfs/dbraw/zinc/37/69/95/202376995.db2.gz RTPHDWSYQDYTLO-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCOC1 ZINC000087788185 359929372 /nfs/dbraw/zinc/92/93/72/359929372.db2.gz VWATXRYBAQPUIF-SECBINFHSA-N 1 2 217.272 1.774 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nc(C)n1 ZINC000578680705 366625383 /nfs/dbraw/zinc/62/53/83/366625383.db2.gz AUPQAKWNENUTAC-MRVPVSSYSA-N 1 2 245.286 1.308 20 0 BDADLO Cc1cccc(O)c1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000578785380 366648940 /nfs/dbraw/zinc/64/89/40/366648940.db2.gz IBYVLBXCOQGWBY-LLVKDONJSA-N 1 2 248.326 1.979 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1C ZINC000088759057 359975836 /nfs/dbraw/zinc/97/58/36/359975836.db2.gz VDDQTABSAUHZAM-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1C ZINC000088759057 359975839 /nfs/dbraw/zinc/97/58/39/359975839.db2.gz VDDQTABSAUHZAM-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088759136 359976309 /nfs/dbraw/zinc/97/63/09/359976309.db2.gz LFOPUGXSKUOHEE-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088759136 359976311 /nfs/dbraw/zinc/97/63/11/359976311.db2.gz LFOPUGXSKUOHEE-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO O=C(CSc1ccncc1)NCc1c[nH+]c[nH]1 ZINC000088753156 359976345 /nfs/dbraw/zinc/97/63/45/359976345.db2.gz UXUAESXFDZSWBG-UHFFFAOYSA-N 1 2 248.311 1.213 20 0 BDADLO O=C(CSc1ccncc1)NCc1c[nH]c[nH+]1 ZINC000088753156 359976348 /nfs/dbraw/zinc/97/63/48/359976348.db2.gz UXUAESXFDZSWBG-UHFFFAOYSA-N 1 2 248.311 1.213 20 0 BDADLO O=C(CCc1ccccn1)NCc1c[nH+]c[nH]1 ZINC000089065215 359985492 /nfs/dbraw/zinc/98/54/92/359985492.db2.gz MGWVIWVKEIBJFJ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(CCc1ccccn1)NCc1c[nH]c[nH+]1 ZINC000089065215 359985493 /nfs/dbraw/zinc/98/54/93/359985493.db2.gz MGWVIWVKEIBJFJ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007680 360053077 /nfs/dbraw/zinc/05/30/77/360053077.db2.gz CGCPIHLGNXNIIN-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090007680 360053081 /nfs/dbraw/zinc/05/30/81/360053081.db2.gz CGCPIHLGNXNIIN-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO C[C@](O)(CO)CNc1ccc2ccccc2[nH+]1 ZINC000090287887 360069107 /nfs/dbraw/zinc/06/91/07/360069107.db2.gz QUXOLXPORNYOAM-CYBMUJFWSA-N 1 2 232.283 1.390 20 0 BDADLO O=C(NCC[NH+]1CCC1)c1ccc(F)s1 ZINC000612844655 360107514 /nfs/dbraw/zinc/10/75/14/360107514.db2.gz UVLHAWWJZAXKHP-UHFFFAOYSA-N 1 2 228.292 1.323 20 0 BDADLO CCOC(=O)C[N@H+](CC1=CCCOC1)C1CC1 ZINC000091773157 360128083 /nfs/dbraw/zinc/12/80/83/360128083.db2.gz QUGAABJYXDROGL-UHFFFAOYSA-N 1 2 239.315 1.361 20 0 BDADLO CCOC(=O)C[N@@H+](CC1=CCCOC1)C1CC1 ZINC000091773157 360128088 /nfs/dbraw/zinc/12/80/88/360128088.db2.gz QUGAABJYXDROGL-UHFFFAOYSA-N 1 2 239.315 1.361 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc3[nH]ccc32)n1 ZINC000092852476 360204308 /nfs/dbraw/zinc/20/43/08/360204308.db2.gz GQBKRRZMXSHIKO-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1cnccn1 ZINC000092591669 360185468 /nfs/dbraw/zinc/18/54/68/360185468.db2.gz FUUYKNRGVGSKRK-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1cnccn1 ZINC000092591669 360185473 /nfs/dbraw/zinc/18/54/73/360185473.db2.gz FUUYKNRGVGSKRK-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000092618915 360186030 /nfs/dbraw/zinc/18/60/30/360186030.db2.gz DWWCVLKMKAQCNY-MRVPVSSYSA-N 1 2 242.348 1.084 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000092618915 360186035 /nfs/dbraw/zinc/18/60/35/360186035.db2.gz DWWCVLKMKAQCNY-MRVPVSSYSA-N 1 2 242.348 1.084 20 0 BDADLO OC1CC(CCNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000578964940 366680883 /nfs/dbraw/zinc/68/08/83/366680883.db2.gz KYRVAVBBZBTAJE-UHFFFAOYSA-N 1 2 248.330 1.624 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000093645317 360265746 /nfs/dbraw/zinc/26/57/46/360265746.db2.gz YMPVSTPZIWFINT-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000093645317 360265750 /nfs/dbraw/zinc/26/57/50/360265750.db2.gz YMPVSTPZIWFINT-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO c1nc(C2CC[NH+](Cc3cncs3)CC2)n[nH]1 ZINC000093646055 360266657 /nfs/dbraw/zinc/26/66/57/360266657.db2.gz CDXXYBNINDSEDD-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCCF)C1 ZINC000613010249 360270773 /nfs/dbraw/zinc/27/07/73/360270773.db2.gz WBHNHTXWJGOYPO-SNVBAGLBSA-N 1 2 239.294 1.486 20 0 BDADLO OC1CC(CCNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000578964940 366680879 /nfs/dbraw/zinc/68/08/79/366680879.db2.gz KYRVAVBBZBTAJE-UHFFFAOYSA-N 1 2 248.330 1.624 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096785845 360354069 /nfs/dbraw/zinc/35/40/69/360354069.db2.gz JQHIDMJMAMFQJG-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCOC(C)(C)C1 ZINC000096593380 360350047 /nfs/dbraw/zinc/35/00/47/360350047.db2.gz RMIPAEZNUMEEIK-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCOC(C)(C)C1 ZINC000096593380 360350050 /nfs/dbraw/zinc/35/00/50/360350050.db2.gz RMIPAEZNUMEEIK-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096593387 360350341 /nfs/dbraw/zinc/35/03/41/360350341.db2.gz YMACBICYUYTFQR-GRYCIOLGSA-N 1 2 243.347 1.827 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096593387 360350345 /nfs/dbraw/zinc/35/03/45/360350345.db2.gz YMACBICYUYTFQR-GRYCIOLGSA-N 1 2 243.347 1.827 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCC1 ZINC000096643119 360350879 /nfs/dbraw/zinc/35/08/79/360350879.db2.gz BTPFBVFYVISFKZ-NSHDSACASA-N 1 2 233.315 1.458 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCCC1 ZINC000096643121 360351098 /nfs/dbraw/zinc/35/10/98/360351098.db2.gz IQOJJSAXAQXEPF-LLVKDONJSA-N 1 2 233.315 1.458 20 0 BDADLO Cc1cccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)n1 ZINC000094923459 360327311 /nfs/dbraw/zinc/32/73/11/360327311.db2.gz KUPSUCMZLPVUJK-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)n1 ZINC000094923459 360327317 /nfs/dbraw/zinc/32/73/17/360327317.db2.gz KUPSUCMZLPVUJK-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cccc(C)n1 ZINC000094919902 360327364 /nfs/dbraw/zinc/32/73/64/360327364.db2.gz WJJIFZHJEOJWDF-CYBMUJFWSA-N 1 2 248.326 1.773 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cccc(C)n1 ZINC000094919902 360327369 /nfs/dbraw/zinc/32/73/69/360327369.db2.gz WJJIFZHJEOJWDF-CYBMUJFWSA-N 1 2 248.326 1.773 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H]1CCCCO1)C(=O)OCC ZINC000097988335 360384899 /nfs/dbraw/zinc/38/48/99/360384899.db2.gz FBVRLTCVDZBKLX-VXGBXAGGSA-N 1 2 243.347 1.877 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OCC ZINC000097988333 360385857 /nfs/dbraw/zinc/38/58/57/360385857.db2.gz FBVRLTCVDZBKLX-NWDGAFQWSA-N 1 2 243.347 1.877 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCCC23CC3)C1 ZINC000633779890 360488481 /nfs/dbraw/zinc/48/84/81/360488481.db2.gz RSTBWZLLKBUHNK-NSHDSACASA-N 1 2 236.359 1.777 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nnnn1C)c1ccsc1 ZINC000309527526 491149985 /nfs/dbraw/zinc/14/99/85/491149985.db2.gz CVNRTVINSVQACN-YUMQZZPRSA-N 1 2 237.332 1.683 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915408 360750133 /nfs/dbraw/zinc/75/01/33/360750133.db2.gz RVRPTTGDSLFQBW-QJPTWQEYSA-N 1 2 242.363 1.115 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915408 360750137 /nfs/dbraw/zinc/75/01/37/360750137.db2.gz RVRPTTGDSLFQBW-QJPTWQEYSA-N 1 2 242.363 1.115 20 0 BDADLO CCC(C)(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628921487 360755332 /nfs/dbraw/zinc/75/53/32/360755332.db2.gz ZZSYRVIPPRDZGN-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628921487 360755335 /nfs/dbraw/zinc/75/53/35/360755335.db2.gz ZZSYRVIPPRDZGN-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C/CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000629032290 360811361 /nfs/dbraw/zinc/81/13/61/360811361.db2.gz KWEAADDRPSSHOR-NWALNABHSA-N 1 2 207.277 1.281 20 0 BDADLO C/C=C/CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000629032290 360811365 /nfs/dbraw/zinc/81/13/65/360811365.db2.gz KWEAADDRPSSHOR-NWALNABHSA-N 1 2 207.277 1.281 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000629034724 360822181 /nfs/dbraw/zinc/82/21/81/360822181.db2.gz NEXHIAUTCQKUSB-ZMWSMAPVSA-N 1 2 219.288 1.138 20 0 BDADLO COC[C@@H](C[NH2+][C@H](C)c1cn[nH]c1C)OC ZINC000309568968 491151827 /nfs/dbraw/zinc/15/18/27/491151827.db2.gz NASCZPMGIWCMKD-PSASIEDQSA-N 1 2 227.308 1.030 20 0 BDADLO Cc1[nH]c2ccc(CS(C)(=O)=O)cc2[nH+]1 ZINC000629182119 360930683 /nfs/dbraw/zinc/93/06/83/360930683.db2.gz MCYVFRBVQXZERK-UHFFFAOYSA-N 1 2 224.285 1.416 20 0 BDADLO Cc1[nH]c2cc(CS(C)(=O)=O)ccc2[nH+]1 ZINC000629182119 360930684 /nfs/dbraw/zinc/93/06/84/360930684.db2.gz MCYVFRBVQXZERK-UHFFFAOYSA-N 1 2 224.285 1.416 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)C(C)C)[nH+]1 ZINC000309645229 491153498 /nfs/dbraw/zinc/15/34/98/491153498.db2.gz VTKXLEPCPYRXDJ-QMMMGPOBSA-N 1 2 223.324 1.702 20 0 BDADLO Cc1nc(N[C@@H](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000309645229 491153499 /nfs/dbraw/zinc/15/34/99/491153499.db2.gz VTKXLEPCPYRXDJ-QMMMGPOBSA-N 1 2 223.324 1.702 20 0 BDADLO CCCCc1cc(NCC[C@H](O)CC)nc[nH+]1 ZINC000631167392 361078423 /nfs/dbraw/zinc/07/84/23/361078423.db2.gz JEUCSVUDVWDIJO-GFCCVEGCSA-N 1 2 237.347 1.814 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccs1 ZINC000169798417 361131594 /nfs/dbraw/zinc/13/15/94/361131594.db2.gz IAZOBWFAUIHRCI-VIFPVBQESA-N 1 2 247.323 1.689 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000640487533 361279643 /nfs/dbraw/zinc/27/96/43/361279643.db2.gz NHACTNJKBWCMQE-NSHDSACASA-N 1 2 235.287 1.548 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000640487533 361279647 /nfs/dbraw/zinc/27/96/47/361279647.db2.gz NHACTNJKBWCMQE-NSHDSACASA-N 1 2 235.287 1.548 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640477751 361253587 /nfs/dbraw/zinc/25/35/87/361253587.db2.gz TVVRBDWWOQLQPS-AUTRQRHGSA-N 1 2 237.303 1.321 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640477751 361253591 /nfs/dbraw/zinc/25/35/91/361253591.db2.gz TVVRBDWWOQLQPS-AUTRQRHGSA-N 1 2 237.303 1.321 20 0 BDADLO CO[C@@](C)(C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000579064606 366703030 /nfs/dbraw/zinc/70/30/30/366703030.db2.gz UOZOXPJORABPFV-CYBMUJFWSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000579128476 366719413 /nfs/dbraw/zinc/71/94/13/366719413.db2.gz MBVGAIDPKQIBEM-GARJFASQSA-N 1 2 235.331 1.703 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000579128476 366719418 /nfs/dbraw/zinc/71/94/18/366719418.db2.gz MBVGAIDPKQIBEM-GARJFASQSA-N 1 2 235.331 1.703 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccn(C(F)F)n2)CC12CC2 ZINC000428379270 201011466 /nfs/dbraw/zinc/01/14/66/201011466.db2.gz VZOCBOVWUGABDQ-SECBINFHSA-N 1 2 243.257 1.235 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CC12CC2 ZINC000428379270 201011468 /nfs/dbraw/zinc/01/14/68/201011468.db2.gz VZOCBOVWUGABDQ-SECBINFHSA-N 1 2 243.257 1.235 20 0 BDADLO CC[NH+]1CCN(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000428441353 201018356 /nfs/dbraw/zinc/01/83/56/201018356.db2.gz HITYOLDHESDPPT-UHFFFAOYSA-N 1 2 237.351 1.066 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ncn1 ZINC000428490812 201024108 /nfs/dbraw/zinc/02/41/08/201024108.db2.gz PGFICZBZPCYEHV-SDDRHHMPSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ncn1 ZINC000428490812 201024110 /nfs/dbraw/zinc/02/41/10/201024110.db2.gz PGFICZBZPCYEHV-SDDRHHMPSA-N 1 2 235.331 1.783 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000428558379 201028252 /nfs/dbraw/zinc/02/82/52/201028252.db2.gz HGLQHSMQOFUITI-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)C1CC1 ZINC000079768362 370691914 /nfs/dbraw/zinc/69/19/14/370691914.db2.gz CRMGVGANANRQGC-JTQLQIEISA-N 1 2 229.320 1.031 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)C1CC1 ZINC000079768362 370691920 /nfs/dbraw/zinc/69/19/20/370691920.db2.gz CRMGVGANANRQGC-JTQLQIEISA-N 1 2 229.320 1.031 20 0 BDADLO O=C1OCC[C@H]1CC[N@H+]1CCC=C(F)C1 ZINC000272535316 370688971 /nfs/dbraw/zinc/68/89/71/370688971.db2.gz RDYXMTAZSUYGBY-SECBINFHSA-N 1 2 213.252 1.499 20 0 BDADLO O=C1OCC[C@H]1CC[N@@H+]1CCC=C(F)C1 ZINC000272535316 370688976 /nfs/dbraw/zinc/68/89/76/370688976.db2.gz RDYXMTAZSUYGBY-SECBINFHSA-N 1 2 213.252 1.499 20 0 BDADLO OCc1ccc(C[NH2+]Cc2cocn2)cc1F ZINC000428848086 201045955 /nfs/dbraw/zinc/04/59/55/201045955.db2.gz HGAYKWXRYKLRMP-UHFFFAOYSA-N 1 2 236.246 1.596 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@@H]1CCOC1 ZINC000428983093 201054231 /nfs/dbraw/zinc/05/42/31/201054231.db2.gz UUWJWAGIHIGBCZ-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@@H]1CCOC1 ZINC000428983093 201054233 /nfs/dbraw/zinc/05/42/33/201054233.db2.gz UUWJWAGIHIGBCZ-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC000428973206 201056382 /nfs/dbraw/zinc/05/63/82/201056382.db2.gz CCUXFTVLUSCXCE-UHFFFAOYSA-N 1 2 224.308 1.112 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC000428973206 201056385 /nfs/dbraw/zinc/05/63/85/201056385.db2.gz CCUXFTVLUSCXCE-UHFFFAOYSA-N 1 2 224.308 1.112 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614358420 363790326 /nfs/dbraw/zinc/79/03/26/363790326.db2.gz PNLXDFRQECTZML-JBLDHEPKSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614358420 363790330 /nfs/dbraw/zinc/79/03/30/363790330.db2.gz PNLXDFRQECTZML-JBLDHEPKSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614358421 363790753 /nfs/dbraw/zinc/79/07/53/363790753.db2.gz PNLXDFRQECTZML-JFGNBEQYSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614358421 363790757 /nfs/dbraw/zinc/79/07/57/363790757.db2.gz PNLXDFRQECTZML-JFGNBEQYSA-N 1 2 245.326 1.429 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@@H](C)CCO)[nH+]1 ZINC000631124347 361392870 /nfs/dbraw/zinc/39/28/70/361392870.db2.gz JWMFNHWNTGLVAU-VIFPVBQESA-N 1 2 248.330 1.686 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000429235053 201080287 /nfs/dbraw/zinc/08/02/87/201080287.db2.gz PVKOBLIBUNXTQY-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000429235053 201080289 /nfs/dbraw/zinc/08/02/89/201080289.db2.gz PVKOBLIBUNXTQY-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO CCCc1noc(C[N@H+](C)C(C)(C)COC)n1 ZINC000429267101 201085655 /nfs/dbraw/zinc/08/56/55/201085655.db2.gz ZODLVXGCRBJATK-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1noc(C[N@@H+](C)C(C)(C)COC)n1 ZINC000429267101 201085659 /nfs/dbraw/zinc/08/56/59/201085659.db2.gz ZODLVXGCRBJATK-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO C[C@@H](CC(=O)N1CCCCCO1)n1cc[nH+]c1 ZINC000579247839 366746349 /nfs/dbraw/zinc/74/63/49/366746349.db2.gz MYPZCABGDJFWEE-NSHDSACASA-N 1 2 237.303 1.778 20 0 BDADLO CC(C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000170185350 361397602 /nfs/dbraw/zinc/39/76/02/361397602.db2.gz BWSCWWJAUZXUPE-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429315887 201097688 /nfs/dbraw/zinc/09/76/88/201097688.db2.gz HDPPIQXVEBITTP-SCZZXKLOSA-N 1 2 235.283 1.011 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCC(C)(C)O ZINC000579372239 366772508 /nfs/dbraw/zinc/77/25/08/366772508.db2.gz BQNXNBGEILNYRZ-UHFFFAOYSA-N 1 2 239.319 1.070 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1nnnn1C)CC2 ZINC000429565651 201115891 /nfs/dbraw/zinc/11/58/91/201115891.db2.gz SIHQLJLVDYMGDT-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1nnnn1C)CC2 ZINC000429565651 201115893 /nfs/dbraw/zinc/11/58/93/201115893.db2.gz SIHQLJLVDYMGDT-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO CCc1ccnc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000181327680 366804369 /nfs/dbraw/zinc/80/43/69/366804369.db2.gz QMHOLDVKDKHCGU-UHFFFAOYSA-N 1 2 244.298 1.340 20 0 BDADLO Cc1cc(O)cc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000629629130 361517327 /nfs/dbraw/zinc/51/73/27/361517327.db2.gz HGVGKYMAYCCRKP-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433197088 201170076 /nfs/dbraw/zinc/17/00/76/201170076.db2.gz PKXBQDNSKYSMLR-VIFPVBQESA-N 1 2 240.351 1.569 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433197088 201170080 /nfs/dbraw/zinc/17/00/80/201170080.db2.gz PKXBQDNSKYSMLR-VIFPVBQESA-N 1 2 240.351 1.569 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2cccc(F)c2)c1 ZINC000170213732 361496375 /nfs/dbraw/zinc/49/63/75/361496375.db2.gz OGRYLDAJQOARNX-UHFFFAOYSA-N 1 2 247.273 1.532 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@H]2CCOC2)[nH+]1 ZINC000433784721 201193300 /nfs/dbraw/zinc/19/33/00/201193300.db2.gz FKHYNKJOLNLFNV-VIFPVBQESA-N 1 2 232.287 1.491 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@](C)(O)C2CC2)[nH+]1 ZINC000433792164 201193847 /nfs/dbraw/zinc/19/38/47/201193847.db2.gz LSAARLHZZFTRSB-ZDUSSCGKSA-N 1 2 246.314 1.261 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2CCOCC2)[nH+]1 ZINC000433783805 201194234 /nfs/dbraw/zinc/19/42/34/201194234.db2.gz SFATTWWOPLNYKS-UHFFFAOYSA-N 1 2 246.314 1.527 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCCOC2)[nH+]1 ZINC000433786448 201194628 /nfs/dbraw/zinc/19/46/28/201194628.db2.gz XLKJREGYXICFML-JTQLQIEISA-N 1 2 246.314 1.527 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)Cc2cc[nH]n2)[nH+]1 ZINC000433793137 201194764 /nfs/dbraw/zinc/19/47/64/201194764.db2.gz QQBDMALDQIGFTC-UHFFFAOYSA-N 1 2 242.286 1.626 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC1(O)CCC1 ZINC000434494773 201223417 /nfs/dbraw/zinc/22/34/17/201223417.db2.gz YTNONQRJESKMDO-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC1(O)CCC1 ZINC000434494773 201223418 /nfs/dbraw/zinc/22/34/18/201223418.db2.gz YTNONQRJESKMDO-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCCCO)s1 ZINC000434675310 201231309 /nfs/dbraw/zinc/23/13/09/201231309.db2.gz KZMAQJFNHQHNQU-UHFFFAOYSA-N 1 2 229.349 1.441 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCCCO)s1 ZINC000434675310 201231311 /nfs/dbraw/zinc/23/13/11/201231311.db2.gz KZMAQJFNHQHNQU-UHFFFAOYSA-N 1 2 229.349 1.441 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2COC)o1 ZINC000448553525 201252769 /nfs/dbraw/zinc/25/27/69/201252769.db2.gz CFVVNYMYWPAJTO-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@H]2COC)o1 ZINC000448553525 201252772 /nfs/dbraw/zinc/25/27/72/201252772.db2.gz CFVVNYMYWPAJTO-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C(C)(C)CO ZINC000133745535 491160070 /nfs/dbraw/zinc/16/00/70/491160070.db2.gz TTWQEPPOMCJSLY-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C(C)(C)CO ZINC000133745535 491160071 /nfs/dbraw/zinc/16/00/71/491160071.db2.gz TTWQEPPOMCJSLY-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000155233373 201309502 /nfs/dbraw/zinc/30/95/02/201309502.db2.gz BXJVHNBHAGPZRR-WDEREUQCSA-N 1 2 229.320 1.487 20 0 BDADLO OC[C@@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000436436393 201327139 /nfs/dbraw/zinc/32/71/39/201327139.db2.gz WGHQQPAAZPLGAA-JTQLQIEISA-N 1 2 236.246 1.139 20 0 BDADLO CCNC(=O)[C@@H](Nc1cc(C)[nH+]cn1)C(C)C ZINC000432170497 192935502 /nfs/dbraw/zinc/93/55/02/192935502.db2.gz SUNNDPIXVTZKEH-NSHDSACASA-N 1 2 236.319 1.358 20 0 BDADLO COc1ccc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000437626236 201363405 /nfs/dbraw/zinc/36/34/05/201363405.db2.gz QYSJRIQKEHUOAT-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000437626236 201363408 /nfs/dbraw/zinc/36/34/08/201363408.db2.gz QYSJRIQKEHUOAT-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)C ZINC000622081819 370697678 /nfs/dbraw/zinc/69/76/78/370697678.db2.gz DBBSGJRFCLFPOQ-SECBINFHSA-N 1 2 209.293 1.736 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)OC ZINC000622081915 370697868 /nfs/dbraw/zinc/69/78/68/370697868.db2.gz FQLRUARSOOBPNM-SECBINFHSA-N 1 2 239.319 1.505 20 0 BDADLO Cc1nc(N)c(CNC(=O)C2CC3(CC3)C2)c[nH+]1 ZINC000614740684 363951732 /nfs/dbraw/zinc/95/17/32/363951732.db2.gz GRDMUDOMAOWKLZ-UHFFFAOYSA-N 1 2 246.314 1.004 20 0 BDADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]C(C)C ZINC000037395130 363970378 /nfs/dbraw/zinc/97/03/78/363970378.db2.gz UZAHNMYXINMGMK-LBPRGKRZSA-N 1 2 221.300 1.769 20 0 BDADLO CCCCc1cc(NCCc2cn[nH]c2)nc[nH+]1 ZINC000631278069 364041986 /nfs/dbraw/zinc/04/19/86/364041986.db2.gz QGNLUYKMCNQOLJ-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@]12C[C@@H]1CCCC2 ZINC000630401886 364131075 /nfs/dbraw/zinc/13/10/75/364131075.db2.gz ALYISWQNLJROIE-AAEUAGOBSA-N 1 2 248.330 1.515 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccccc1F ZINC000051790840 364212043 /nfs/dbraw/zinc/21/20/43/364212043.db2.gz SQPBOFPOYQBXDW-UHFFFAOYSA-N 1 2 238.306 1.736 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccccc1F ZINC000051790840 364212045 /nfs/dbraw/zinc/21/20/45/364212045.db2.gz SQPBOFPOYQBXDW-UHFFFAOYSA-N 1 2 238.306 1.736 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093055469 541346513 /nfs/dbraw/zinc/34/65/13/541346513.db2.gz MUKFNEKSZRNCIS-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1ncccc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093055469 541346515 /nfs/dbraw/zinc/34/65/15/541346515.db2.gz MUKFNEKSZRNCIS-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]1C(F)(F)F ZINC000615031182 364398212 /nfs/dbraw/zinc/39/82/12/364398212.db2.gz WJCHFAZGEXLHKQ-SSDOTTSWSA-N 1 2 247.220 1.506 20 0 BDADLO O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCn2c[nH+]cc2C1 ZINC000615039493 364403836 /nfs/dbraw/zinc/40/38/36/364403836.db2.gz MFBBXFVALGXUQD-CYZMBNFOSA-N 1 2 245.326 1.662 20 0 BDADLO COC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)C1CC1 ZINC000134594449 541358009 /nfs/dbraw/zinc/35/80/09/541358009.db2.gz YLPMERQRBXMPPQ-PELKAZGASA-N 1 2 223.320 1.794 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCn1cccn1 ZINC000134584099 541358994 /nfs/dbraw/zinc/35/89/94/541358994.db2.gz PZONCBGPLFCCDO-SECBINFHSA-N 1 2 219.292 1.265 20 0 BDADLO CC1(C)C[N@H+](Cc2nccc(N)n2)CCS1 ZINC000135136712 364428292 /nfs/dbraw/zinc/42/82/92/364428292.db2.gz BIKXFOGEVFAKLV-UHFFFAOYSA-N 1 2 238.360 1.386 20 0 BDADLO CC1(C)C[N@@H+](Cc2nccc(N)n2)CCS1 ZINC000135136712 364428299 /nfs/dbraw/zinc/42/82/99/364428299.db2.gz BIKXFOGEVFAKLV-UHFFFAOYSA-N 1 2 238.360 1.386 20 0 BDADLO Cc1oncc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000181742535 366844225 /nfs/dbraw/zinc/84/42/25/366844225.db2.gz VCKROCYOZFTVMZ-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1oncc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000181742535 366844228 /nfs/dbraw/zinc/84/42/28/366844228.db2.gz VCKROCYOZFTVMZ-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615359044 364726852 /nfs/dbraw/zinc/72/68/52/364726852.db2.gz XODKYRLUDVNEIM-SNVBAGLBSA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615359044 364726857 /nfs/dbraw/zinc/72/68/57/364726857.db2.gz XODKYRLUDVNEIM-SNVBAGLBSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CO[C@@H](C)C2)[nH+]1 ZINC000573440792 364833916 /nfs/dbraw/zinc/83/39/16/364833916.db2.gz ZVYGUPXUYTUXKU-IONNQARKSA-N 1 2 232.287 1.856 20 0 BDADLO CCOC1C[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000573687104 364893810 /nfs/dbraw/zinc/89/38/10/364893810.db2.gz VUJAQTNBKQZYDU-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CCOC1C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000573687104 364893817 /nfs/dbraw/zinc/89/38/17/364893817.db2.gz VUJAQTNBKQZYDU-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccn(C)n2)cnn1C ZINC000573889261 364938657 /nfs/dbraw/zinc/93/86/57/364938657.db2.gz SPFPCVGNDASSMH-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccn(C)n2)cnn1C ZINC000573889261 364938664 /nfs/dbraw/zinc/93/86/64/364938664.db2.gz SPFPCVGNDASSMH-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1CCCOC1 ZINC000573880347 364937177 /nfs/dbraw/zinc/93/71/77/364937177.db2.gz IIBPLEGHMSFKBM-VIFPVBQESA-N 1 2 247.302 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000573895533 364940525 /nfs/dbraw/zinc/94/05/25/364940525.db2.gz UIGJDRYLDRWRMW-OPRDCNLKSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000573895533 364940528 /nfs/dbraw/zinc/94/05/28/364940528.db2.gz UIGJDRYLDRWRMW-OPRDCNLKSA-N 1 2 215.293 1.047 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015256 541424206 /nfs/dbraw/zinc/42/42/06/541424206.db2.gz QFKUQWPUBBHZGX-NXEZZACHSA-N 1 2 221.304 1.473 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCCC2 ZINC000336015204 541424733 /nfs/dbraw/zinc/42/47/33/541424733.db2.gz MNCCVKFGHKLJMY-LLVKDONJSA-N 1 2 233.315 1.617 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]cn2C)c1O ZINC000336157979 541426561 /nfs/dbraw/zinc/42/65/61/541426561.db2.gz RDVBVYAUUCMFPG-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CCn1nc(C)c(NC(=O)Cn2cc[nH+]c2)c1C ZINC000574216161 365011974 /nfs/dbraw/zinc/01/19/74/365011974.db2.gz QSYQGRNKRIMLAY-UHFFFAOYSA-N 1 2 247.302 1.355 20 0 BDADLO C[C@H](CC(=O)Nc1ccncc1)n1cc[nH+]c1 ZINC000574471431 365070850 /nfs/dbraw/zinc/07/08/50/365070850.db2.gz KRJOEKGYCLNIAY-SNVBAGLBSA-N 1 2 230.271 1.290 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442887068 193000785 /nfs/dbraw/zinc/00/07/85/193000785.db2.gz WJPRDIGBRZIVHZ-MRVPVSSYSA-N 1 2 249.236 1.649 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442887068 193000788 /nfs/dbraw/zinc/00/07/88/193000788.db2.gz WJPRDIGBRZIVHZ-MRVPVSSYSA-N 1 2 249.236 1.649 20 0 BDADLO COc1ccc(F)c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000574772075 365143102 /nfs/dbraw/zinc/14/31/02/365143102.db2.gz XUPWLGABIIEYPY-UHFFFAOYSA-N 1 2 236.250 1.589 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3C[C@H]3C)cn21 ZINC000068571557 370812865 /nfs/dbraw/zinc/81/28/65/370812865.db2.gz DURFVCPSUYSXCK-BXKDBHETSA-N 1 2 243.310 1.915 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000444468803 193048292 /nfs/dbraw/zinc/04/82/92/193048292.db2.gz RRFDWFHVUGKYNN-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[C@@H]2F)C1 ZINC000575194220 365237639 /nfs/dbraw/zinc/23/76/39/365237639.db2.gz CKVNHUOBXYVAAV-VHSXEESVSA-N 1 2 228.311 1.335 20 0 BDADLO Cc1nc(C[N@@H+]2CCS[C@@H](C)CC2)no1 ZINC000192172394 365280123 /nfs/dbraw/zinc/28/01/23/365280123.db2.gz ILGGEJOUADHXAU-QMMMGPOBSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nc(C[N@H+]2CCS[C@@H](C)CC2)no1 ZINC000192172394 365280131 /nfs/dbraw/zinc/28/01/31/365280131.db2.gz ILGGEJOUADHXAU-QMMMGPOBSA-N 1 2 227.333 1.705 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncnn2C)CCS1 ZINC000192190900 365282386 /nfs/dbraw/zinc/28/23/86/365282386.db2.gz MAHCPOHNFQWMNX-VIFPVBQESA-N 1 2 226.349 1.143 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncnn2C)CCS1 ZINC000192190900 365282390 /nfs/dbraw/zinc/28/23/90/365282390.db2.gz MAHCPOHNFQWMNX-VIFPVBQESA-N 1 2 226.349 1.143 20 0 BDADLO Cc1csc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000575318691 365288151 /nfs/dbraw/zinc/28/81/51/365288151.db2.gz VHJIMLMOCKATNE-UHFFFAOYSA-N 1 2 247.323 1.950 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@H+](CC2(F)CC2)CC1 ZINC000580536298 365338281 /nfs/dbraw/zinc/33/82/81/365338281.db2.gz JYLTVWHFKUSREL-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@@H+](CC2(F)CC2)CC1 ZINC000580536298 365338288 /nfs/dbraw/zinc/33/82/88/365338288.db2.gz JYLTVWHFKUSREL-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCC(=O)OC(C)C ZINC000173577903 365431126 /nfs/dbraw/zinc/43/11/26/365431126.db2.gz BPNJGYPHJZTOOD-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCC(=O)OC(C)C ZINC000173577903 365431130 /nfs/dbraw/zinc/43/11/30/365431130.db2.gz BPNJGYPHJZTOOD-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO C[C@H](CC(=O)N[C@]1(C)CCOC1)n1cc[nH+]c1 ZINC000575991743 365439015 /nfs/dbraw/zinc/43/90/15/365439015.db2.gz BEYQPAKYDZBTLQ-ZYHUDNBSSA-N 1 2 237.303 1.129 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nncn2C)CCS1 ZINC000173934673 365453922 /nfs/dbraw/zinc/45/39/22/365453922.db2.gz VCESREXWKXDYPF-SECBINFHSA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nncn2C)CCS1 ZINC000173934673 365453926 /nfs/dbraw/zinc/45/39/26/365453926.db2.gz VCESREXWKXDYPF-SECBINFHSA-N 1 2 226.349 1.143 20 0 BDADLO Cc1occc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000576089518 365479325 /nfs/dbraw/zinc/47/93/25/365479325.db2.gz RWWJDDSNZKSKTN-UHFFFAOYSA-N 1 2 248.326 1.642 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nnc(C)o1 ZINC000182640583 366926224 /nfs/dbraw/zinc/92/62/24/366926224.db2.gz MXPVFBZAGHHCPB-MRVPVSSYSA-N 1 2 241.291 1.152 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nnc(C)o1 ZINC000182640583 366926225 /nfs/dbraw/zinc/92/62/25/366926225.db2.gz MXPVFBZAGHHCPB-MRVPVSSYSA-N 1 2 241.291 1.152 20 0 BDADLO CCCN(CC(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000352173170 541480020 /nfs/dbraw/zinc/48/00/20/541480020.db2.gz YORDVTRGDFOFDM-UHFFFAOYSA-N 1 2 245.273 1.846 20 0 BDADLO CCCN(CC(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000352173170 541480026 /nfs/dbraw/zinc/48/00/26/541480026.db2.gz YORDVTRGDFOFDM-UHFFFAOYSA-N 1 2 245.273 1.846 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N(CC1CC1)CC1CC1 ZINC000353816616 541485046 /nfs/dbraw/zinc/48/50/46/541485046.db2.gz RBYAGXFYOOGJSL-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N(CC1CC1)CC1CC1 ZINC000353816616 541485052 /nfs/dbraw/zinc/48/50/52/541485052.db2.gz RBYAGXFYOOGJSL-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1c(C(=O)Nc2ccc(C)[nH+]c2C)cnn1C ZINC000176188580 541500815 /nfs/dbraw/zinc/50/08/15/541500815.db2.gz KMZXMGHJCKOCJW-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CC[C@@H](C[C@@H](C)CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000439703827 201461177 /nfs/dbraw/zinc/46/11/77/201461177.db2.gz BIYJXFXRMNUKCS-PWSUYJOCSA-N 1 2 249.358 1.985 20 0 BDADLO c1nc(SCc2c[nH+]c3ccccn23)n[nH]1 ZINC000183150482 366980040 /nfs/dbraw/zinc/98/00/40/366980040.db2.gz BDDCUZWWKFSVLN-UHFFFAOYSA-N 1 2 231.284 1.745 20 0 BDADLO Cn1cncc1C[N@H+](C)Cc1ccncc1 ZINC000183746516 367043534 /nfs/dbraw/zinc/04/35/34/367043534.db2.gz RXMXHXCTNAIITL-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cncc1C[N@@H+](C)Cc1ccncc1 ZINC000183746516 367043540 /nfs/dbraw/zinc/04/35/40/367043540.db2.gz RXMXHXCTNAIITL-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO CN(Cc1c[nH+]cn1C)Cc1ccncc1 ZINC000183746516 367043546 /nfs/dbraw/zinc/04/35/46/367043546.db2.gz RXMXHXCTNAIITL-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cc1ccc(=O)n(Cc2ccc(C)[nH+]c2C)n1 ZINC000185366960 367129037 /nfs/dbraw/zinc/12/90/37/367129037.db2.gz HTDYUAODKHJLSY-UHFFFAOYSA-N 1 2 229.283 1.612 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC[C@@H]2C)[nH]1 ZINC000184585278 367084836 /nfs/dbraw/zinc/08/48/36/367084836.db2.gz ZGWWBRZKNHEZBQ-QMMMGPOBSA-N 1 2 226.349 1.304 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC[C@@H]2C)[nH]1 ZINC000184585278 367084841 /nfs/dbraw/zinc/08/48/41/367084841.db2.gz ZGWWBRZKNHEZBQ-QMMMGPOBSA-N 1 2 226.349 1.304 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](CC(N)=O)C1 ZINC000580805552 367171239 /nfs/dbraw/zinc/17/12/39/367171239.db2.gz YUNOKVNBYPVHPI-LLVKDONJSA-N 1 2 248.330 1.185 20 0 BDADLO CO[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C(C)C ZINC000580961651 367220052 /nfs/dbraw/zinc/22/00/52/367220052.db2.gz YUCBDKFHFSMLDW-LLVKDONJSA-N 1 2 242.363 1.115 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000193745484 367207926 /nfs/dbraw/zinc/20/79/26/367207926.db2.gz IPCCATKWVGHUBC-UHFFFAOYSA-N 1 2 221.304 1.594 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000193745484 367207929 /nfs/dbraw/zinc/20/79/29/367207929.db2.gz IPCCATKWVGHUBC-UHFFFAOYSA-N 1 2 221.304 1.594 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCSC1 ZINC000081056526 370847439 /nfs/dbraw/zinc/84/74/39/370847439.db2.gz XSHYNLYMRMBQHP-SNVBAGLBSA-N 1 2 239.344 1.285 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000581136344 367273585 /nfs/dbraw/zinc/27/35/85/367273585.db2.gz XTLJXVFQYDYOPL-SECBINFHSA-N 1 2 245.323 1.407 20 0 BDADLO Cc1nnsc1C[N@H+]1CCCO[C@H](CF)C1 ZINC000581136344 367273589 /nfs/dbraw/zinc/27/35/89/367273589.db2.gz XTLJXVFQYDYOPL-SECBINFHSA-N 1 2 245.323 1.407 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)CO1 ZINC000581188236 367287955 /nfs/dbraw/zinc/28/79/55/367287955.db2.gz LTDBWOGWCBUDNB-NXEZZACHSA-N 1 2 229.283 1.641 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]c3ccncc23)CO1 ZINC000581188239 367288093 /nfs/dbraw/zinc/28/80/93/367288093.db2.gz LTDBWOGWCBUDNB-UWVGGRQHSA-N 1 2 229.283 1.641 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCC(C)(C)O)C1CC1 ZINC000381738003 367453283 /nfs/dbraw/zinc/45/32/83/367453283.db2.gz OOEJMKTXUFBENE-LBPRGKRZSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCC(=O)[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000581558733 367590699 /nfs/dbraw/zinc/59/06/99/367590699.db2.gz ZBOZBZZGLJUNTE-AEJSXWLSSA-N 1 2 249.314 1.592 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000581587904 367615375 /nfs/dbraw/zinc/61/53/75/367615375.db2.gz IQVJXJGHCCLERZ-CABZTGNLSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@](C)(F)C2)n1 ZINC000581587904 367615382 /nfs/dbraw/zinc/61/53/82/367615382.db2.gz IQVJXJGHCCLERZ-CABZTGNLSA-N 1 2 239.294 1.986 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1CC=CC1 ZINC000581617639 367637913 /nfs/dbraw/zinc/63/79/13/367637913.db2.gz YBCXCFIBLHGKQB-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO COC[C@@H](C)C[N@@H+]1CCOCC(F)(F)C1 ZINC000581635307 367645122 /nfs/dbraw/zinc/64/51/22/367645122.db2.gz ZRMZKYFJXHZAMB-VIFPVBQESA-N 1 2 223.263 1.236 20 0 BDADLO COC[C@@H](C)C[N@H+]1CCOCC(F)(F)C1 ZINC000581635307 367645124 /nfs/dbraw/zinc/64/51/24/367645124.db2.gz ZRMZKYFJXHZAMB-VIFPVBQESA-N 1 2 223.263 1.236 20 0 BDADLO Cc1c(F)cccc1C(=O)NCc1[nH+]ccn1C ZINC000622353311 370862935 /nfs/dbraw/zinc/86/29/35/370862935.db2.gz IREKFOQBMIBBSF-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO COc1cc(C[NH2+]Cc2cc(C)on2)sn1 ZINC000399155306 367688919 /nfs/dbraw/zinc/68/89/19/367688919.db2.gz HHKITFHUPGDIRL-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO CCC[C@@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361333 370868537 /nfs/dbraw/zinc/86/85/37/370868537.db2.gz CANGQPGYHDJXRW-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC12CC2 ZINC000622361897 370868756 /nfs/dbraw/zinc/86/87/56/370868756.db2.gz ZXWSNBSMEPIVCW-MRVPVSSYSA-N 1 2 205.261 1.168 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)nc[nH+]1 ZINC000385050576 367779494 /nfs/dbraw/zinc/77/94/94/367779494.db2.gz BQCJZFOCXYPNBZ-KXUCPTDWSA-N 1 2 207.277 1.763 20 0 BDADLO C[NH2+]Cc1noc(CO[C@H]2CCC[C@H](C)C2)n1 ZINC000581871935 367860295 /nfs/dbraw/zinc/86/02/95/367860295.db2.gz CVVJHYOUGLGHCD-UWVGGRQHSA-N 1 2 239.319 1.884 20 0 BDADLO C[NH2+]Cc1noc(CO[C@@H]2CCC[C@H](C)C2)n1 ZINC000581871936 367860409 /nfs/dbraw/zinc/86/04/09/367860409.db2.gz CVVJHYOUGLGHCD-VHSXEESVSA-N 1 2 239.319 1.884 20 0 BDADLO CCC[C@@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000385820484 367869023 /nfs/dbraw/zinc/86/90/23/367869023.db2.gz UMXGVRHAJPBQIN-SECBINFHSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000385820484 367869028 /nfs/dbraw/zinc/86/90/28/367869028.db2.gz UMXGVRHAJPBQIN-SECBINFHSA-N 1 2 207.264 1.877 20 0 BDADLO CSc1ccnc(NCCCn2cc[nH+]c2)n1 ZINC000386623372 368003316 /nfs/dbraw/zinc/00/33/16/368003316.db2.gz KABAXBRIQDUPDX-UHFFFAOYSA-N 1 2 249.343 1.319 20 0 BDADLO CC(=O)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615517204 368086062 /nfs/dbraw/zinc/08/60/62/368086062.db2.gz ATUVRZKUMCLVNY-LLVKDONJSA-N 1 2 249.314 1.312 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399513062 368170488 /nfs/dbraw/zinc/17/04/88/368170488.db2.gz ZZWALDFCCXPHCM-QWRGUYRKSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399513062 368170491 /nfs/dbraw/zinc/17/04/91/368170491.db2.gz ZZWALDFCCXPHCM-QWRGUYRKSA-N 1 2 238.335 1.204 20 0 BDADLO C(c1nnnn1C1CC1)[NH+]1C2CCC1CC2 ZINC000642525433 368173711 /nfs/dbraw/zinc/17/37/11/368173711.db2.gz NWZMHTCEEWAHRT-UHFFFAOYSA-N 1 2 219.292 1.135 20 0 BDADLO CCCCn1nnnc1C[NH+]1C2CCC1CC2 ZINC000642525357 368174150 /nfs/dbraw/zinc/17/41/50/368174150.db2.gz JZCCSLGFUSWUGI-UHFFFAOYSA-N 1 2 235.335 1.600 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615730837 368228369 /nfs/dbraw/zinc/22/83/69/368228369.db2.gz BETKYICBTBEZPK-HMDXOVGESA-N 1 2 233.315 1.597 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615730837 368228371 /nfs/dbraw/zinc/22/83/71/368228371.db2.gz BETKYICBTBEZPK-HMDXOVGESA-N 1 2 233.315 1.597 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)C ZINC000046887096 368453120 /nfs/dbraw/zinc/45/31/20/368453120.db2.gz KZLFIGSGEJQLCK-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046888573 368453409 /nfs/dbraw/zinc/45/34/09/368453409.db2.gz WJMBAHNRXXOSBB-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)[C@H](C)O ZINC000455043140 202864811 /nfs/dbraw/zinc/86/48/11/202864811.db2.gz PCERWMNDAWAESA-GXSJLCMTSA-N 1 2 237.303 1.093 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)NCC1CC1 ZINC000057373712 368489627 /nfs/dbraw/zinc/48/96/27/368489627.db2.gz NDEHWXAUOFPOMX-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CCO1 ZINC000064431664 368605918 /nfs/dbraw/zinc/60/59/18/368605918.db2.gz IMBZBCNODDKXDW-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3c2OCCO3)CCO1 ZINC000064431664 368605924 /nfs/dbraw/zinc/60/59/24/368605924.db2.gz IMBZBCNODDKXDW-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO CSC[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000066822982 368663321 /nfs/dbraw/zinc/66/33/21/368663321.db2.gz ZSMZMTKLNCCBFA-UWVGGRQHSA-N 1 2 241.360 1.387 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000068300745 368722408 /nfs/dbraw/zinc/72/24/08/368722408.db2.gz DBLWLNWDIZOWHM-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000068300745 368722414 /nfs/dbraw/zinc/72/24/14/368722414.db2.gz DBLWLNWDIZOWHM-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccc(/C=C\C(=O)NCCn2cc[nH+]c2)o1 ZINC000068741869 368733342 /nfs/dbraw/zinc/73/33/42/368733342.db2.gz PMTKXJUEWKFDIV-PLNGDYQASA-N 1 2 245.282 1.614 20 0 BDADLO CCCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457401335 203052117 /nfs/dbraw/zinc/05/21/17/203052117.db2.gz ICZVRBLFKYLSGP-UHFFFAOYSA-N 1 2 238.335 1.452 20 0 BDADLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)C1CCC1 ZINC000457363419 203045305 /nfs/dbraw/zinc/04/53/05/203045305.db2.gz BKVHCHNHIQPMGC-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000069018539 368745155 /nfs/dbraw/zinc/74/51/55/368745155.db2.gz ASFVAEHIMKPZRV-UHFFFAOYSA-N 1 2 244.298 1.749 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000073331152 368800698 /nfs/dbraw/zinc/80/06/98/368800698.db2.gz CRYDIUFTUCBZOL-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000073646712 368811883 /nfs/dbraw/zinc/81/18/83/368811883.db2.gz BPAJYTRXQJLNLJ-UTUOFQBUSA-N 1 2 235.331 1.824 20 0 BDADLO CCSCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074192525 368833133 /nfs/dbraw/zinc/83/31/33/368833133.db2.gz MEPQMFHNLOLGJK-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO C[C@H]1C[NH+](CC(=O)Nc2nncs2)C[C@@H]1C ZINC000072873338 368782577 /nfs/dbraw/zinc/78/25/77/368782577.db2.gz DBMVGKBCTXCQIE-YUMQZZPRSA-N 1 2 240.332 1.064 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCF ZINC000615960429 368792619 /nfs/dbraw/zinc/79/26/19/368792619.db2.gz KSUSFWSYMDTVIU-SECBINFHSA-N 1 2 227.283 1.830 20 0 BDADLO CCCCn1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000113252196 368887760 /nfs/dbraw/zinc/88/77/60/368887760.db2.gz GAQVQPFPFONJLE-UHFFFAOYSA-N 1 2 247.302 1.518 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000616164919 368999181 /nfs/dbraw/zinc/99/91/81/368999181.db2.gz KSWXUAUICXOZCX-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000616164919 368999187 /nfs/dbraw/zinc/99/91/87/368999187.db2.gz KSWXUAUICXOZCX-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO CCC(C)(C)OCC(=O)NCCn1cc[nH+]c1 ZINC000457458272 203064705 /nfs/dbraw/zinc/06/47/05/203064705.db2.gz XRWNMAKXBHVQTJ-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)[nH]1 ZINC000618025931 369055032 /nfs/dbraw/zinc/05/50/32/369055032.db2.gz NGHFGACVMMIGIS-JTQLQIEISA-N 1 2 246.314 1.647 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854424 203113385 /nfs/dbraw/zinc/11/33/85/203113385.db2.gz KHVRTWKIEFVOEF-VXGBXAGGSA-N 1 2 235.331 1.371 20 0 BDADLO C[C@H]1CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457857446 203113487 /nfs/dbraw/zinc/11/34/87/203113487.db2.gz MGFBKNAVRJYUGW-CMPLNLGQSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457853252 203111220 /nfs/dbraw/zinc/11/12/20/203111220.db2.gz JBTIDDZQAJZISN-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@]2(C)CC=CCC2)c1 ZINC000457876966 203117559 /nfs/dbraw/zinc/11/75/59/203117559.db2.gz USBBBCKJTCJKNY-CQSZACIVSA-N 1 2 247.342 1.825 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000458108001 203133777 /nfs/dbraw/zinc/13/37/77/203133777.db2.gz DYZLZBHKXMUPKW-MFKMUULPSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)(CF)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000567485514 326202383 /nfs/dbraw/zinc/20/23/83/326202383.db2.gz IZXLEYHQMRZQGP-UHFFFAOYSA-N 1 2 216.300 1.193 20 0 BDADLO C[C@]1(NC(=O)CCn2cc[nH+]c2)CC=CCC1 ZINC000458318082 203159447 /nfs/dbraw/zinc/15/94/47/203159447.db2.gz QWZPNKUUHWXLDM-ZDUSSCGKSA-N 1 2 233.315 1.888 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(C3CC3)nc2)[C@H](C)CO1 ZINC000459299258 203249725 /nfs/dbraw/zinc/24/97/25/203249725.db2.gz JMAJVKDRNSTSGN-GHMZBOCLSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)[C@H](C)CO1 ZINC000459299258 203249727 /nfs/dbraw/zinc/24/97/27/203249727.db2.gz JMAJVKDRNSTSGN-GHMZBOCLSA-N 1 2 247.342 1.963 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCc1cn[nH]c1)C(=O)OC ZINC000459402492 203274396 /nfs/dbraw/zinc/27/43/96/203274396.db2.gz JTOSMCAPFAFOPT-GXSJLCMTSA-N 1 2 239.319 1.130 20 0 BDADLO c1cn2c([nH+]1)CN(CCOCC1CCCC1)CC2 ZINC000459331159 203258891 /nfs/dbraw/zinc/25/88/91/203258891.db2.gz UWFVOXNSMNJCSM-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO CC1(C)[C@H](CNC(=O)Cn2cc[nH+]c2)C1(F)F ZINC000619383621 369331679 /nfs/dbraw/zinc/33/16/79/369331679.db2.gz GAQMRRQFRBBOQB-QMMMGPOBSA-N 1 2 243.257 1.291 20 0 BDADLO O=C(NC1C[NH+](Cc2cccc(O)c2)C1)C1CC1 ZINC000459607247 203313977 /nfs/dbraw/zinc/31/39/77/203313977.db2.gz ILNXSAVGBCYONC-UHFFFAOYSA-N 1 2 246.310 1.103 20 0 BDADLO COc1nccnc1C[NH+]1CC2(C1)CCCC2 ZINC000459566547 203304692 /nfs/dbraw/zinc/30/46/92/203304692.db2.gz ULUFMYWLKAKPPD-UHFFFAOYSA-N 1 2 233.315 1.861 20 0 BDADLO C[N@H+](Cc1noc2c1CCCC2)[C@H]1CCOC1 ZINC000108868204 369413566 /nfs/dbraw/zinc/41/35/66/369413566.db2.gz CVOBPGLHKLTKNP-JTQLQIEISA-N 1 2 236.315 1.774 20 0 BDADLO C[N@@H+](Cc1noc2c1CCCC2)[C@H]1CCOC1 ZINC000108868204 369413572 /nfs/dbraw/zinc/41/35/72/369413572.db2.gz CVOBPGLHKLTKNP-JTQLQIEISA-N 1 2 236.315 1.774 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)OC)[C@@H](CC)CO1 ZINC000404113574 369419883 /nfs/dbraw/zinc/41/98/83/369419883.db2.gz WNNFKFDEBPLWRR-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)OC)[C@@H](CC)CO1 ZINC000404113574 369419885 /nfs/dbraw/zinc/41/98/85/369419885.db2.gz WNNFKFDEBPLWRR-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459632220 203324731 /nfs/dbraw/zinc/32/47/31/203324731.db2.gz LFCUOFOORWBSRK-TXEJJXNPSA-N 1 2 223.320 1.764 20 0 BDADLO CCC1(C)C[NH+](Cc2ncc(C)n2C)C1 ZINC000459640737 203327679 /nfs/dbraw/zinc/32/76/79/203327679.db2.gz XRXSORNFSZPOSH-UHFFFAOYSA-N 1 2 207.321 1.960 20 0 BDADLO CCC1(C)CN(Cc2[nH+]cc(C)n2C)C1 ZINC000459640737 203327682 /nfs/dbraw/zinc/32/76/82/203327682.db2.gz XRXSORNFSZPOSH-UHFFFAOYSA-N 1 2 207.321 1.960 20 0 BDADLO COc1nccnc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459779858 203365340 /nfs/dbraw/zinc/36/53/40/203365340.db2.gz VBEOMGRVTLBOGL-IUCAKERBSA-N 1 2 237.328 1.175 20 0 BDADLO COc1nccnc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459779858 203365343 /nfs/dbraw/zinc/36/53/43/203365343.db2.gz VBEOMGRVTLBOGL-IUCAKERBSA-N 1 2 237.328 1.175 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]1C ZINC000619665156 369517103 /nfs/dbraw/zinc/51/71/03/369517103.db2.gz JSEHDYYHSPPXDR-NXEZZACHSA-N 1 2 222.292 1.075 20 0 BDADLO C[C@H](NC(=O)C1CCCC1)c1[nH+]ccn1C ZINC000082278100 370978434 /nfs/dbraw/zinc/97/84/34/370978434.db2.gz SGUWVPZGGYXUCH-VIFPVBQESA-N 1 2 221.304 1.788 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC(C)C)C(C)(C)C ZINC000619719639 369550170 /nfs/dbraw/zinc/55/01/70/369550170.db2.gz QVCWSWKHEGLLTH-LLVKDONJSA-N 1 2 245.363 1.836 20 0 BDADLO COC(=O)c1cnc(/C=C\c2cn(C)c[nH+]2)s1 ZINC000619743215 369568238 /nfs/dbraw/zinc/56/82/38/369568238.db2.gz JHUWWGJDYDPAIN-ARJAWSKDSA-N 1 2 249.295 1.834 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000620074320 369707402 /nfs/dbraw/zinc/70/74/02/369707402.db2.gz DVOSRIQLPUDCMJ-IINYFYTJSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000620283932 369800093 /nfs/dbraw/zinc/80/00/93/369800093.db2.gz KEBQUQXWOPJJQA-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000620283932 369800097 /nfs/dbraw/zinc/80/00/97/369800097.db2.gz KEBQUQXWOPJJQA-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCc1ccccn1 ZINC000620411858 369867955 /nfs/dbraw/zinc/86/79/55/369867955.db2.gz ZHTXZZILRRVLPP-UHFFFAOYSA-N 1 2 244.298 1.375 20 0 BDADLO C[C@@H](NC(=O)C1CC=CC1)c1[nH+]ccn1C ZINC000620599790 369948902 /nfs/dbraw/zinc/94/89/02/369948902.db2.gz JEQYMCAWFAQGFJ-SECBINFHSA-N 1 2 219.288 1.564 20 0 BDADLO C[C@@H](NC(=O)Cc1ccncc1)c1[nH+]ccn1C ZINC000620597915 369949447 /nfs/dbraw/zinc/94/94/47/369949447.db2.gz SSJYCQNCWOXFBR-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO C[C@@H](NC(=O)CCn1cccc1)c1[nH+]ccn1C ZINC000620599701 369949524 /nfs/dbraw/zinc/94/95/24/369949524.db2.gz HYCZLRWYJJCYOQ-LLVKDONJSA-N 1 2 246.314 1.489 20 0 BDADLO CCn1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)cn1 ZINC000620601293 369950525 /nfs/dbraw/zinc/95/05/25/369950525.db2.gz VPJYFPUPGQEXTM-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCCCO1)c1[nH+]ccn1C ZINC000620602723 369950621 /nfs/dbraw/zinc/95/06/21/369950621.db2.gz DDNINGXTURTOGG-UWVGGRQHSA-N 1 2 237.303 1.166 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1[nH+]ccn1C ZINC000620600493 369950654 /nfs/dbraw/zinc/95/06/54/369950654.db2.gz OEHKTTZGHAAOKE-RNFRBKRXSA-N 1 2 249.236 1.796 20 0 BDADLO C[C@H](NC(=O)CCc1ccoc1)c1[nH+]ccn1C ZINC000620603552 369951783 /nfs/dbraw/zinc/95/17/83/369951783.db2.gz LBMYVJQYIXNZJV-JTQLQIEISA-N 1 2 247.298 1.823 20 0 BDADLO Cc1cnccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604906 369952580 /nfs/dbraw/zinc/95/25/80/369952580.db2.gz WQYDEPKLKAXROD-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CO[C@H](C(=O)N[C@H](C)c1[nH+]ccn1C)C1CC1 ZINC000620605783 369954294 /nfs/dbraw/zinc/95/42/94/369954294.db2.gz KCXXCVFUWGNAJH-SCZZXKLOSA-N 1 2 237.303 1.022 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)co1 ZINC000620606736 369956132 /nfs/dbraw/zinc/95/61/32/369956132.db2.gz ZLSCOSCTOPXEFW-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO COCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597706 369947573 /nfs/dbraw/zinc/94/75/73/369947573.db2.gz ZAERVJFMPUUEKP-SECBINFHSA-N 1 2 225.292 1.024 20 0 BDADLO CCO[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620596348 369947944 /nfs/dbraw/zinc/94/79/44/369947944.db2.gz OACNOUTYDNZYLP-BDAKNGLRSA-N 1 2 225.292 1.022 20 0 BDADLO Cc1[nH]c(C(=O)NC2CC(C)(C)C2)c[nH+]1 ZINC000620743412 369990574 /nfs/dbraw/zinc/99/05/74/369990574.db2.gz PGIZUNKSJJVAPV-UHFFFAOYSA-N 1 2 207.277 1.637 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cncc(Cl)c1 ZINC000621246299 370179924 /nfs/dbraw/zinc/17/99/24/370179924.db2.gz VPDGUMXARBNQPM-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cncc(Cl)c1 ZINC000621246299 370179927 /nfs/dbraw/zinc/17/99/27/370179927.db2.gz VPDGUMXARBNQPM-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC(C)(C)C)ccn1 ZINC000621246006 370180023 /nfs/dbraw/zinc/18/00/23/370180023.db2.gz HXEVDUVRISYLTC-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)ccn1 ZINC000621246006 370180026 /nfs/dbraw/zinc/18/00/26/370180026.db2.gz HXEVDUVRISYLTC-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CCC1CC1 ZINC000309544416 370226050 /nfs/dbraw/zinc/22/60/50/370226050.db2.gz HMVBHRBOBFOYGO-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CCC1CC1 ZINC000309544416 370226053 /nfs/dbraw/zinc/22/60/53/370226053.db2.gz HMVBHRBOBFOYGO-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO CCC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621256437 370188064 /nfs/dbraw/zinc/18/80/64/370188064.db2.gz GCAPERRIAZRSPG-VIFPVBQESA-N 1 2 223.320 1.992 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000063707085 370190803 /nfs/dbraw/zinc/19/08/03/370190803.db2.gz FSDFMUZBNQUGMS-NXEZZACHSA-N 1 2 219.288 1.266 20 0 BDADLO CC[C@@]1([NH2+]CC(=O)OC(C)(C)C)CCOC1 ZINC000309840286 370267664 /nfs/dbraw/zinc/26/76/64/370267664.db2.gz CTUADHVISJYAPX-GFCCVEGCSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)no1 ZINC000621378518 370321183 /nfs/dbraw/zinc/32/11/83/370321183.db2.gz YHSOJVPCLJCHPW-JTQLQIEISA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@H]2CO)no1 ZINC000621378518 370321187 /nfs/dbraw/zinc/32/11/87/370321187.db2.gz YHSOJVPCLJCHPW-JTQLQIEISA-N 1 2 239.319 1.361 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1CC2(CC2)C1 ZINC000621425369 370350397 /nfs/dbraw/zinc/35/03/97/370350397.db2.gz YYTWKEWTBKKZLD-UHFFFAOYSA-N 1 2 245.326 1.800 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]2C)C1=O ZINC000621399806 370337810 /nfs/dbraw/zinc/33/78/10/370337810.db2.gz IKFPLJXIZHIZHX-GXFFZTMASA-N 1 2 246.310 1.726 20 0 BDADLO CCN1OC[C@@H]([N@H+]2Cc3ccccc3[C@@H]2C)C1=O ZINC000621399806 370337813 /nfs/dbraw/zinc/33/78/13/370337813.db2.gz IKFPLJXIZHIZHX-GXFFZTMASA-N 1 2 246.310 1.726 20 0 BDADLO CNC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401004 370339374 /nfs/dbraw/zinc/33/93/74/370339374.db2.gz ZCCHLBBYCKWOCE-JTQLQIEISA-N 1 2 234.290 1.536 20 0 BDADLO CCc1cc(N[C@H](C)[C@@H](C)CO)nc[nH+]1 ZINC000077227654 370402353 /nfs/dbraw/zinc/40/23/53/370402353.db2.gz AXBHKRCSYCJHQJ-DTWKUNHWSA-N 1 2 209.293 1.468 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccnc2C)CCO1 ZINC000621710693 370455959 /nfs/dbraw/zinc/45/59/59/370455959.db2.gz MFSBVWVKYIKUAS-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621710693 370455963 /nfs/dbraw/zinc/45/59/63/370455963.db2.gz MFSBVWVKYIKUAS-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@H](C)C1 ZINC000621710640 370456295 /nfs/dbraw/zinc/45/62/95/370456295.db2.gz KKGDHZLMVVZFSH-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@H](C)C1 ZINC000621710640 370456296 /nfs/dbraw/zinc/45/62/96/370456296.db2.gz KKGDHZLMVVZFSH-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2nccnc2C)CCO1 ZINC000621717102 370466573 /nfs/dbraw/zinc/46/65/73/370466573.db2.gz WSELTSGCIDOAPF-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621717102 370466576 /nfs/dbraw/zinc/46/65/76/370466576.db2.gz WSELTSGCIDOAPF-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO Cn1cc(C[NH+]2CC(C)(c3ccccc3)C2)nn1 ZINC000621734279 370490426 /nfs/dbraw/zinc/49/04/26/370490426.db2.gz JOUGCAJLTLCYCR-UHFFFAOYSA-N 1 2 242.326 1.589 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621736996 370493492 /nfs/dbraw/zinc/49/34/92/370493492.db2.gz JYBLXTUHXJCHNE-CABZTGNLSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621736996 370493494 /nfs/dbraw/zinc/49/34/94/370493494.db2.gz JYBLXTUHXJCHNE-CABZTGNLSA-N 1 2 223.320 1.168 20 0 BDADLO CCc1cc(N[C@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000078307067 370549545 /nfs/dbraw/zinc/54/95/45/370549545.db2.gz YITJOECPGLQZLC-SECBINFHSA-N 1 2 231.303 1.946 20 0 BDADLO O=C1CN(Cc2ccccc2)[C@@H](c2c[nH]c[nH+]2)N1 ZINC000078763055 370597134 /nfs/dbraw/zinc/59/71/34/370597134.db2.gz NEGGDNZKNSRRGZ-ZDUSSCGKSA-N 1 2 242.282 1.040 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000115161446 370627047 /nfs/dbraw/zinc/62/70/47/370627047.db2.gz NPGNLGNMRFLWMR-QWRGUYRKSA-N 1 2 233.315 1.656 20 0 BDADLO CC(C)(C(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1c[nH]c[nH+]1 ZINC000621977554 370632485 /nfs/dbraw/zinc/63/24/85/370632485.db2.gz NXIJOECDAARORM-JZYVYDRUSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)Cc1c[nH+]cn1C ZINC000568969644 326383935 /nfs/dbraw/zinc/38/39/35/326383935.db2.gz SKZFXMLSWWVIDD-SNVBAGLBSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@@H](CO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631051831 371121580 /nfs/dbraw/zinc/12/15/80/371121580.db2.gz WLTZXVMDHYLXFP-ZETCQYMHSA-N 1 2 232.287 1.050 20 0 BDADLO CCc1cc(NCCCc2nccs2)nc[nH+]1 ZINC000391380912 371288269 /nfs/dbraw/zinc/28/82/69/371288269.db2.gz WJICCHGTJFEXBO-UHFFFAOYSA-N 1 2 248.355 1.962 20 0 BDADLO CCCCc1cc(NCc2nnc(C)o2)nc[nH+]1 ZINC000631067281 371275306 /nfs/dbraw/zinc/27/53/06/371275306.db2.gz WCLGVOYYBXEBJR-UHFFFAOYSA-N 1 2 247.302 1.545 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccncc1 ZINC000125295097 371315543 /nfs/dbraw/zinc/31/55/43/371315543.db2.gz FOHJHOAKQBLZRG-UHFFFAOYSA-N 1 2 230.271 1.697 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C)c1ncn(C)n1)OC ZINC000391830852 371339194 /nfs/dbraw/zinc/33/91/94/371339194.db2.gz PJEHKCVEQYHJEC-VHSXEESVSA-N 1 2 226.324 1.281 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)C[C@@H](C)O ZINC000164921111 326418459 /nfs/dbraw/zinc/41/84/59/326418459.db2.gz RQZLRBTVVBETBS-DTWKUNHWSA-N 1 2 210.277 1.662 20 0 BDADLO COc1ccc[nH+]c1NCCc1cncc(C)n1 ZINC000624401407 371500873 /nfs/dbraw/zinc/50/08/73/371500873.db2.gz ZKNMYVLTTYHQCR-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C[C@]1(C)OC ZINC000624410030 371503509 /nfs/dbraw/zinc/50/35/09/371503509.db2.gz CXISLNHXHLCZMR-KOLCDFICSA-N 1 2 208.261 1.680 20 0 BDADLO COc1ccc[nH+]c1NCCNC(=O)C(C)C ZINC000393075994 371495007 /nfs/dbraw/zinc/49/50/07/371495007.db2.gz XWPBWVWEJUWZSH-UHFFFAOYSA-N 1 2 237.303 1.274 20 0 BDADLO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCc2[nH]c[nH+]c2C1 ZINC000627373828 371592012 /nfs/dbraw/zinc/59/20/12/371592012.db2.gz CFDMXGGDOJHZRJ-MYJAWHEDSA-N 1 2 231.299 1.341 20 0 BDADLO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCc2[nH+]c[nH]c2C1 ZINC000627373828 371592018 /nfs/dbraw/zinc/59/20/18/371592018.db2.gz CFDMXGGDOJHZRJ-MYJAWHEDSA-N 1 2 231.299 1.341 20 0 BDADLO Cc1sccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373692 371592396 /nfs/dbraw/zinc/59/23/96/371592396.db2.gz YJEMOFGDUNWBFO-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO Cc1sccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373692 371592401 /nfs/dbraw/zinc/59/24/01/371592401.db2.gz YJEMOFGDUNWBFO-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO OCC1(CNc2cc3ccccc3c[nH+]2)COC1 ZINC000631176858 372218155 /nfs/dbraw/zinc/21/81/55/372218155.db2.gz XGLYRVVMXUCUME-UHFFFAOYSA-N 1 2 244.294 1.656 20 0 BDADLO Cc1nc(N2CC[C@]3(CC[C@@H](C)C3)C2)nc(N)[nH+]1 ZINC000631204135 372233434 /nfs/dbraw/zinc/23/34/34/372233434.db2.gz YNMHMKSELCAUPJ-RNCFNFMXSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@]3(CC[C@@H](C)C3)C2)[nH+]1 ZINC000631204135 372233437 /nfs/dbraw/zinc/23/34/37/372233437.db2.gz YNMHMKSELCAUPJ-RNCFNFMXSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1c[nH]nc1CNc1c[nH+]cc(N(C)C)c1 ZINC000631203394 372233697 /nfs/dbraw/zinc/23/36/97/372233697.db2.gz OOBJPMOFNLKAOI-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO Cc1nc(N2CC[C@@]3(CC[C@@H](C)C3)C2)nc(N)[nH+]1 ZINC000631204133 372233710 /nfs/dbraw/zinc/23/37/10/372233710.db2.gz YNMHMKSELCAUPJ-NOZJJQNGSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@]3(CC[C@@H](C)C3)C2)[nH+]1 ZINC000631204133 372233716 /nfs/dbraw/zinc/23/37/16/372233716.db2.gz YNMHMKSELCAUPJ-NOZJJQNGSA-N 1 2 247.346 1.609 20 0 BDADLO C[C@@H]([NH2+]Cc1cscn1)[C@H](O)C(F)(F)F ZINC000631233017 372252895 /nfs/dbraw/zinc/25/28/95/372252895.db2.gz WFCABOFQZFOBTA-VDTYLAMSSA-N 1 2 240.250 1.544 20 0 BDADLO Cc1nc(N2CC3(CCC3)C[C@@H]2C)nc(N)[nH+]1 ZINC000631247528 372259150 /nfs/dbraw/zinc/25/91/50/372259150.db2.gz WFPCAZRHZXAPSS-QMMMGPOBSA-N 1 2 233.319 1.361 20 0 BDADLO Cc1nc(N)nc(N2CC3(CCC3)C[C@@H]2C)[nH+]1 ZINC000631247528 372259152 /nfs/dbraw/zinc/25/91/52/372259152.db2.gz WFPCAZRHZXAPSS-QMMMGPOBSA-N 1 2 233.319 1.361 20 0 BDADLO CCOC(C)(C)C(=O)Nc1cc[nH+]cc1CC ZINC000631296077 372282201 /nfs/dbraw/zinc/28/22/01/372282201.db2.gz ZTQRUDSCKMXOCU-UHFFFAOYSA-N 1 2 236.315 1.820 20 0 BDADLO O=C1C[C@@H](CNc2cc3ccccc3c[nH+]2)CN1 ZINC000631299900 372283751 /nfs/dbraw/zinc/28/37/51/372283751.db2.gz SPNDGZYIJRPEAT-JTQLQIEISA-N 1 2 241.294 1.783 20 0 BDADLO Cc1ccc(Nc2c[nH+]cc(N(C)C)c2)nn1 ZINC000631432779 372360118 /nfs/dbraw/zinc/36/01/18/372360118.db2.gz TXENDWCJOFSVJN-UHFFFAOYSA-N 1 2 229.287 1.412 20 0 BDADLO Cc1cnc(NCC(C)(C)n2cc[nH+]c2)nc1 ZINC000631368625 372318180 /nfs/dbraw/zinc/31/81/80/372318180.db2.gz OABZENWSRGJEPM-UHFFFAOYSA-N 1 2 231.303 1.829 20 0 BDADLO O[C@@H]1COC[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000631432695 372360689 /nfs/dbraw/zinc/36/06/89/372360689.db2.gz INEPMIYGYFLULU-NWDGAFQWSA-N 1 2 248.257 1.546 20 0 BDADLO CCCCc1cc(NC[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000631391982 372332389 /nfs/dbraw/zinc/33/23/89/372332389.db2.gz UGFHKYROQXAGRD-KLPPZKSPSA-N 1 2 235.331 1.424 20 0 BDADLO CC(C)(F)CNc1nc(N)c2ccccc2[nH+]1 ZINC000631407325 372342003 /nfs/dbraw/zinc/34/20/03/372342003.db2.gz AWHQQQXHQLSMLN-UHFFFAOYSA-N 1 2 234.278 1.624 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC(C)(F)CC1 ZINC000631514285 372402676 /nfs/dbraw/zinc/40/26/76/372402676.db2.gz GRZMFPMGJLUDQR-UHFFFAOYSA-N 1 2 249.293 1.692 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)c1ccncc1 ZINC000631594131 372447139 /nfs/dbraw/zinc/44/71/39/372447139.db2.gz ITLLFVUNFHHCIM-SECBINFHSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCCNC2=O)c(C)[nH+]1 ZINC000631743041 372544278 /nfs/dbraw/zinc/54/42/78/372544278.db2.gz LIGCNBFPEKMMPI-SNVBAGLBSA-N 1 2 247.298 1.163 20 0 BDADLO Cc1conc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000632023917 372729087 /nfs/dbraw/zinc/72/90/87/372729087.db2.gz YCIRHMXYCNFICQ-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO O=C(COCc1[nH]cc[nH+]1)N1CCCCCC1 ZINC000123880609 182000301 /nfs/dbraw/zinc/00/03/01/182000301.db2.gz XXFDEEHQERRJOC-UHFFFAOYSA-N 1 2 237.303 1.329 20 0 BDADLO O=C(C[C@@H]1CCCCO1)NCCc1[nH]cc[nH+]1 ZINC000122529577 182017030 /nfs/dbraw/zinc/01/70/30/182017030.db2.gz YGNBTKKHQREHLG-JTQLQIEISA-N 1 2 237.303 1.028 20 0 BDADLO O=C(C[C@@H]1CCCO1)Nc1cccc2[nH+]ccn21 ZINC000266089997 182020279 /nfs/dbraw/zinc/02/02/79/182020279.db2.gz MJHCTCULIAZFHR-JTQLQIEISA-N 1 2 245.282 1.842 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@@H]2C)n1C ZINC000172588943 373013723 /nfs/dbraw/zinc/01/37/23/373013723.db2.gz IFSIGPHDXRJHHP-QMMMGPOBSA-N 1 2 226.349 1.061 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@@H]2C)n1C ZINC000172588943 373013728 /nfs/dbraw/zinc/01/37/28/373013728.db2.gz IFSIGPHDXRJHHP-QMMMGPOBSA-N 1 2 226.349 1.061 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@H]2C)o1 ZINC000172590495 373019438 /nfs/dbraw/zinc/01/94/38/373019438.db2.gz ICFIEPJGWFYMPI-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@H]2C)o1 ZINC000172590495 373019446 /nfs/dbraw/zinc/01/94/46/373019446.db2.gz ICFIEPJGWFYMPI-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO O=C(Cc1ccon1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329385342 182056862 /nfs/dbraw/zinc/05/68/62/182056862.db2.gz RYNGSCNNBKAIGM-JTQLQIEISA-N 1 2 246.270 1.304 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCCO1 ZINC000125350808 182059071 /nfs/dbraw/zinc/05/90/71/182059071.db2.gz HARWMHGNVNIQHF-UHFFFAOYSA-N 1 2 231.255 1.041 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC(F)(F)C1 ZINC000281787712 182070914 /nfs/dbraw/zinc/07/09/14/182070914.db2.gz LVQKXXFGOPPQQZ-SECBINFHSA-N 1 2 243.257 1.435 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@H]1C1CC1 ZINC000329712002 182084903 /nfs/dbraw/zinc/08/49/03/182084903.db2.gz PJTQIITVQWNLJF-IUCAKERBSA-N 1 2 218.256 1.194 20 0 BDADLO O=C(NC1CCC1)C1CC[NH+](CC(F)F)CC1 ZINC000353451801 182104095 /nfs/dbraw/zinc/10/40/95/182104095.db2.gz VAEJPZAEZOJYHC-UHFFFAOYSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)[C@H](C)O1 ZINC000633140070 373303708 /nfs/dbraw/zinc/30/37/08/373303708.db2.gz PYZYPMDOSLLMKN-JFGNBEQYSA-N 1 2 249.314 1.039 20 0 BDADLO O=C(NC1CCC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264502351 182106928 /nfs/dbraw/zinc/10/69/28/182106928.db2.gz IPSUUDJANKZODH-UHFFFAOYSA-N 1 2 242.282 1.550 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000361959459 182110470 /nfs/dbraw/zinc/11/04/70/182110470.db2.gz OVQBYEUDJIQTLH-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO Cc1ccoc1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633259569 373419084 /nfs/dbraw/zinc/41/90/84/373419084.db2.gz NGQVYMAHQLALBS-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170030691 182123306 /nfs/dbraw/zinc/12/33/06/182123306.db2.gz JJKADDOISJZAOH-SSDOTTSWSA-N 1 2 247.220 1.124 20 0 BDADLO O=C(NC1CCOCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000364349853 182116228 /nfs/dbraw/zinc/11/62/28/182116228.db2.gz VVKFCXQSQFHLHG-LLVKDONJSA-N 1 2 249.314 1.056 20 0 BDADLO Cc1conc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000633322905 373476963 /nfs/dbraw/zinc/47/69/63/373476963.db2.gz FJRTXYXLONHEQB-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO O=C(NCCC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368206963 182155341 /nfs/dbraw/zinc/15/53/41/182155341.db2.gz CPYNISMFWNXDGX-SNVBAGLBSA-N 1 2 248.330 1.366 20 0 BDADLO O=C(NCCC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368206963 182155343 /nfs/dbraw/zinc/15/53/43/182155343.db2.gz CPYNISMFWNXDGX-SNVBAGLBSA-N 1 2 248.330 1.366 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000633602707 373619751 /nfs/dbraw/zinc/61/97/51/373619751.db2.gz PLPOQIHJEKKVKZ-KKZNHRDASA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000633602707 373619755 /nfs/dbraw/zinc/61/97/55/373619755.db2.gz PLPOQIHJEKKVKZ-KKZNHRDASA-N 1 2 237.303 1.182 20 0 BDADLO Cc1oc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc1CO ZINC000633600758 373620103 /nfs/dbraw/zinc/62/01/03/373620103.db2.gz CPQRGPGIMWNTFR-UHFFFAOYSA-N 1 2 249.270 1.076 20 0 BDADLO Cc1oc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc1CO ZINC000633600758 373620108 /nfs/dbraw/zinc/62/01/08/373620108.db2.gz CPQRGPGIMWNTFR-UHFFFAOYSA-N 1 2 249.270 1.076 20 0 BDADLO Cc1cn2ccc(NC(=O)C3CSC3)cc2[nH+]1 ZINC000633651595 373660348 /nfs/dbraw/zinc/66/03/48/373660348.db2.gz ITGHLSVYYBJYIF-UHFFFAOYSA-N 1 2 247.323 1.944 20 0 BDADLO O=C(NCCCCF)c1ccc2[nH+]ccn2c1 ZINC000360817405 182164315 /nfs/dbraw/zinc/16/43/15/182164315.db2.gz KMAKJIQQPBLMRC-UHFFFAOYSA-N 1 2 235.262 1.814 20 0 BDADLO C[C@@H](CC(=O)NCC(C)(C)F)n1cc[nH+]c1 ZINC000633720594 373708402 /nfs/dbraw/zinc/70/84/02/373708402.db2.gz PJEREKMNPQFMTO-VIFPVBQESA-N 1 2 227.283 1.699 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCC12CC2 ZINC000633780590 373754744 /nfs/dbraw/zinc/75/47/44/373754744.db2.gz PJJBKZLLFLNSTF-LBPRGKRZSA-N 1 2 247.342 1.802 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)Nc1ccon1 ZINC000180505828 182178117 /nfs/dbraw/zinc/17/81/17/182178117.db2.gz ACTLYDCDJYKMBP-UHFFFAOYSA-N 1 2 235.247 1.083 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@]12C[C@H]1CCCC2 ZINC000634080591 373945180 /nfs/dbraw/zinc/94/51/80/373945180.db2.gz OJFZMDSXPGOPPJ-DGCLKSJQSA-N 1 2 233.315 1.722 20 0 BDADLO O=C(NC[C@H]1CC=CCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375435248 182235061 /nfs/dbraw/zinc/23/50/61/182235061.db2.gz FYBYVMBFWCULDD-VHSXEESVSA-N 1 2 244.285 1.456 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1Cc2ccccc21 ZINC000090985312 182247584 /nfs/dbraw/zinc/24/75/84/182247584.db2.gz KEQNERSZUISCGV-LBPRGKRZSA-N 1 2 227.267 1.366 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1Cc2ccccc21 ZINC000090985312 182247586 /nfs/dbraw/zinc/24/75/86/182247586.db2.gz KEQNERSZUISCGV-LBPRGKRZSA-N 1 2 227.267 1.366 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)OCC(F)(F)F ZINC000070820575 182273794 /nfs/dbraw/zinc/27/37/94/182273794.db2.gz BTZIJFCVUFCHGL-UHFFFAOYSA-N 1 2 223.154 1.198 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccc(F)cn1 ZINC000122989621 182273954 /nfs/dbraw/zinc/27/39/54/182273954.db2.gz PGSZAQXQFPPRIT-UHFFFAOYSA-N 1 2 235.222 1.266 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]c2ncccc12 ZINC000358123310 182274637 /nfs/dbraw/zinc/27/46/37/182274637.db2.gz MPPHHRPSZDOIJO-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1c[nH]c2ncccc12 ZINC000359117687 182271117 /nfs/dbraw/zinc/27/11/17/182271117.db2.gz JXEIEBXLRJNJDE-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1c[nH]c2ncccc12 ZINC000359117687 182271119 /nfs/dbraw/zinc/27/11/19/182271119.db2.gz JXEIEBXLRJNJDE-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(N[C@@H]1CC[C@H](F)C1)c1ccc2[nH+]ccn2c1 ZINC000334144223 182311759 /nfs/dbraw/zinc/31/17/59/182311759.db2.gz GUVQITOTXMZEIY-WDEREUQCSA-N 1 2 247.273 1.955 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc[nH]c1 ZINC000336332424 182313561 /nfs/dbraw/zinc/31/35/61/182313561.db2.gz OUKWGQIBIVZQBF-SECBINFHSA-N 1 2 230.271 1.025 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc[nH]c1 ZINC000336332424 182313563 /nfs/dbraw/zinc/31/35/63/182313563.db2.gz OUKWGQIBIVZQBF-SECBINFHSA-N 1 2 230.271 1.025 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000169798188 182315085 /nfs/dbraw/zinc/31/50/85/182315085.db2.gz BHQRPGXXDNFIRK-SECBINFHSA-N 1 2 247.323 1.689 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1=CCCCC1 ZINC000336528879 182342565 /nfs/dbraw/zinc/34/25/65/182342565.db2.gz PBRZGXABQNBTBC-NSHDSACASA-N 1 2 245.326 1.884 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1=CCCCC1 ZINC000336528879 182342566 /nfs/dbraw/zinc/34/25/66/182342566.db2.gz PBRZGXABQNBTBC-NSHDSACASA-N 1 2 245.326 1.884 20 0 BDADLO CCCn1nc(C)c(C[NH+]2CC(OC)C2)c1C ZINC000459579157 206135388 /nfs/dbraw/zinc/13/53/88/206135388.db2.gz JCENTIYEURPSKW-UHFFFAOYSA-N 1 2 237.347 1.741 20 0 BDADLO CCc1ccc(C[NH+]2CC(C)(OC)C2)cn1 ZINC000459578546 206136301 /nfs/dbraw/zinc/13/63/01/206136301.db2.gz HSTFLYASRIDFCR-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO O=C(Nc1cccc2[nH]ccc21)[C@H]1COCC[NH2+]1 ZINC000262635283 182372025 /nfs/dbraw/zinc/37/20/25/182372025.db2.gz YTZRNBJZKZYMDF-GFCCVEGCSA-N 1 2 245.282 1.095 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364796977 170218771 /nfs/dbraw/zinc/21/87/71/170218771.db2.gz IRJXHFVUFBFTQH-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO OC1(c2ccc(F)cc2)C[NH+](CCCF)C1 ZINC000366003293 183023281 /nfs/dbraw/zinc/02/32/81/183023281.db2.gz XYEAYDOVKBJPRB-UHFFFAOYSA-N 1 2 227.254 1.689 20 0 BDADLO OCCCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000363095201 183044786 /nfs/dbraw/zinc/04/47/86/183044786.db2.gz WICXOOHREIQREI-SNVBAGLBSA-N 1 2 225.292 1.369 20 0 BDADLO OCCCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000363095201 183044789 /nfs/dbraw/zinc/04/47/89/183044789.db2.gz WICXOOHREIQREI-SNVBAGLBSA-N 1 2 225.292 1.369 20 0 BDADLO OCC1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000302155246 183036730 /nfs/dbraw/zinc/03/67/30/183036730.db2.gz MSPHPMNCJHCQLV-UHFFFAOYSA-N 1 2 233.315 1.929 20 0 BDADLO OCC[N@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000194859641 183067853 /nfs/dbraw/zinc/06/78/53/183067853.db2.gz ZVEZGXVPXKNHMQ-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO OCC[N@@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000194859641 183067854 /nfs/dbraw/zinc/06/78/54/183067854.db2.gz ZVEZGXVPXKNHMQ-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO OCC[N@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000048065304 183073308 /nfs/dbraw/zinc/07/33/08/183073308.db2.gz OTDSRWKQZJQPLG-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OCC[N@@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000048065304 183073310 /nfs/dbraw/zinc/07/33/10/183073310.db2.gz OTDSRWKQZJQPLG-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157542758 183077579 /nfs/dbraw/zinc/07/75/79/183077579.db2.gz BEZVPTDAKZRORW-VIFPVBQESA-N 1 2 213.302 1.114 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157542758 183077584 /nfs/dbraw/zinc/07/75/84/183077584.db2.gz BEZVPTDAKZRORW-VIFPVBQESA-N 1 2 213.302 1.114 20 0 BDADLO OCC[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000278672372 183096201 /nfs/dbraw/zinc/09/62/01/183096201.db2.gz RBTAGPHQIQKRCE-ZDUSSCGKSA-N 1 2 231.299 1.623 20 0 BDADLO OCCOCCNc1cc[nH+]c2ccncc12 ZINC000269313711 183086810 /nfs/dbraw/zinc/08/68/10/183086810.db2.gz ZWUZSGNYWNJKHX-UHFFFAOYSA-N 1 2 233.271 1.051 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccon1)c1ccc(F)cc1 ZINC000273073301 183109710 /nfs/dbraw/zinc/10/97/10/183109710.db2.gz FUOOYIZRBIHRHG-GFCCVEGCSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000287088678 183134781 /nfs/dbraw/zinc/13/47/81/183134781.db2.gz VUGZVXKIICKQKX-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000287088678 183134782 /nfs/dbraw/zinc/13/47/82/183134782.db2.gz VUGZVXKIICKQKX-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000304126725 169031967 /nfs/dbraw/zinc/03/19/67/169031967.db2.gz UPWZNZXLYIJKAO-UWVGGRQHSA-N 1 2 239.319 1.540 20 0 BDADLO CCCCc1noc([C@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000304126725 169031969 /nfs/dbraw/zinc/03/19/69/169031969.db2.gz UPWZNZXLYIJKAO-UWVGGRQHSA-N 1 2 239.319 1.540 20 0 BDADLO OCc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)o1 ZINC000268822929 183165022 /nfs/dbraw/zinc/16/50/22/183165022.db2.gz IARLVYGYPQAGFU-LBPRGKRZSA-N 1 2 247.298 1.662 20 0 BDADLO OCc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000268822929 183165024 /nfs/dbraw/zinc/16/50/24/183165024.db2.gz IARLVYGYPQAGFU-LBPRGKRZSA-N 1 2 247.298 1.662 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000377396904 183162759 /nfs/dbraw/zinc/16/27/59/183162759.db2.gz DRERCJGKDMEZST-QWHCGFSZSA-N 1 2 219.284 1.152 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000377396904 183162760 /nfs/dbraw/zinc/16/27/60/183162760.db2.gz DRERCJGKDMEZST-QWHCGFSZSA-N 1 2 219.284 1.152 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)Cc1ccccc1 ZINC000105492822 183179234 /nfs/dbraw/zinc/17/92/34/183179234.db2.gz PHDFDOXFAHJOLE-CYBMUJFWSA-N 1 2 231.299 1.103 20 0 BDADLO O[C@@H](Cc1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000339021303 183183678 /nfs/dbraw/zinc/18/36/78/183183678.db2.gz NHSHOTYUAQBFMC-LBPRGKRZSA-N 1 2 220.247 1.626 20 0 BDADLO CCCN(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376811006 169051097 /nfs/dbraw/zinc/05/10/97/169051097.db2.gz MYFNHYYDDBFKRJ-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO OCc1ccc(NC[C@H]2CCCOC2)[nH+]c1 ZINC000336687957 183165743 /nfs/dbraw/zinc/16/57/43/183165743.db2.gz URLLJHSNMMERGG-LLVKDONJSA-N 1 2 222.288 1.412 20 0 BDADLO CCCN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000299461609 169056000 /nfs/dbraw/zinc/05/60/00/169056000.db2.gz RFEXRTQHJXRDOA-UHFFFAOYSA-N 1 2 246.314 1.886 20 0 BDADLO O[C@@H](C[NH+]1CC(OC(F)F)C1)C1CCCCC1 ZINC000352882101 183175928 /nfs/dbraw/zinc/17/59/28/183175928.db2.gz GMWBPUGFQGFCPI-NSHDSACASA-N 1 2 249.301 1.851 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000294812859 183207855 /nfs/dbraw/zinc/20/78/55/183207855.db2.gz OAYXUWWNMOJRHP-VIFPVBQESA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000294812859 183207857 /nfs/dbraw/zinc/20/78/57/183207857.db2.gz OAYXUWWNMOJRHP-VIFPVBQESA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000044070269 183194161 /nfs/dbraw/zinc/19/41/61/183194161.db2.gz UKMCEGSMAJETLV-SECBINFHSA-N 1 2 249.270 1.286 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000044070269 183194162 /nfs/dbraw/zinc/19/41/62/183194162.db2.gz UKMCEGSMAJETLV-SECBINFHSA-N 1 2 249.270 1.286 20 0 BDADLO O[C@H](CC1CCCC1)C[NH+]1CC(OC(F)F)C1 ZINC000352881140 183218167 /nfs/dbraw/zinc/21/81/67/183218167.db2.gz CFJWHJWJEOUDMR-SNVBAGLBSA-N 1 2 249.301 1.851 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@@H](C2CC2)C1)C(F)(F)F ZINC000362564521 183221779 /nfs/dbraw/zinc/22/17/79/183221779.db2.gz LNKSXEGBSNBVEL-RKDXNWHRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@@H](C2CC2)C1)C(F)(F)F ZINC000362564521 183221780 /nfs/dbraw/zinc/22/17/80/183221780.db2.gz LNKSXEGBSNBVEL-RKDXNWHRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@H](C[NH+]1Cc2ccccc2C1)C(F)(F)F ZINC000082680300 183223137 /nfs/dbraw/zinc/22/31/37/183223137.db2.gz CHVYJSKRRQDUSX-SNVBAGLBSA-N 1 2 231.217 1.925 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000294934289 183209110 /nfs/dbraw/zinc/20/91/10/183209110.db2.gz ZSDBUKKNAUBECU-NSHDSACASA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000294934289 183209113 /nfs/dbraw/zinc/20/91/13/183209113.db2.gz ZSDBUKKNAUBECU-NSHDSACASA-N 1 2 243.253 1.158 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)COCC ZINC000113501701 169108660 /nfs/dbraw/zinc/10/86/60/169108660.db2.gz OLTLEYWRQCWNOK-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)COCC ZINC000113501701 169108663 /nfs/dbraw/zinc/10/86/63/169108663.db2.gz OLTLEYWRQCWNOK-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)COCC ZINC000113501697 169109207 /nfs/dbraw/zinc/10/92/07/169109207.db2.gz OLTLEYWRQCWNOK-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)COCC ZINC000113501697 169109208 /nfs/dbraw/zinc/10/92/08/169109208.db2.gz OLTLEYWRQCWNOK-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO O[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000267187065 183241537 /nfs/dbraw/zinc/24/15/37/183241537.db2.gz GPWGCZICPVJJAH-VIFPVBQESA-N 1 2 215.256 1.201 20 0 BDADLO CCCN(CC)C(=O)NCc1[nH+]ccn1C ZINC000264246225 169113086 /nfs/dbraw/zinc/11/30/86/169113086.db2.gz XUMZRKKJADFSEJ-UHFFFAOYSA-N 1 2 224.308 1.362 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@@H]1O ZINC000163517043 183244352 /nfs/dbraw/zinc/24/43/52/183244352.db2.gz KEVDFTWSGAEDRD-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@@H]1O ZINC000163517043 183244353 /nfs/dbraw/zinc/24/43/53/183244353.db2.gz KEVDFTWSGAEDRD-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO CCCN(CC1CC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000365757986 169134815 /nfs/dbraw/zinc/13/48/15/169134815.db2.gz LTNGOHRQNPYGRC-JTQLQIEISA-N 1 2 246.301 1.632 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C(C)C)o1 ZINC000303365982 169167855 /nfs/dbraw/zinc/16/78/55/169167855.db2.gz GZNUNBJDZOJUQU-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C(C)C)o1 ZINC000303365982 169167857 /nfs/dbraw/zinc/16/78/57/169167857.db2.gz GZNUNBJDZOJUQU-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO c1cc(-c2noc([C@@H]3CSCC[NH2+]3)n2)ccn1 ZINC000096881634 183333128 /nfs/dbraw/zinc/33/31/28/183333128.db2.gz NCPQAKZHXHWBLX-VIFPVBQESA-N 1 2 248.311 1.509 20 0 BDADLO c1c[nH+]c(CNc2ccc3c(c2)CCO3)[nH]1 ZINC000049715293 183324447 /nfs/dbraw/zinc/32/44/47/183324447.db2.gz IOAOGGKAZKZIMI-UHFFFAOYSA-N 1 2 215.256 1.957 20 0 BDADLO c1cc(NCc2[nH]cc[nH+]2)n(C[C@@H]2CCOC2)n1 ZINC000236612656 183327227 /nfs/dbraw/zinc/32/72/27/183327227.db2.gz ZJVMTHPMRNNAMF-JTQLQIEISA-N 1 2 247.302 1.255 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2cc[nH]n2)[nH]1 ZINC000336401642 183329472 /nfs/dbraw/zinc/32/94/72/183329472.db2.gz JQQDRPVPRVSMKQ-SNVBAGLBSA-N 1 2 217.276 1.470 20 0 BDADLO CCC[NH+]1CCN(C(=O)c2cncs2)CC1 ZINC000298097868 169200944 /nfs/dbraw/zinc/20/09/44/169200944.db2.gz XGFDTWHRHXPRGT-UHFFFAOYSA-N 1 2 239.344 1.311 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000369408087 169223612 /nfs/dbraw/zinc/22/36/12/169223612.db2.gz JSPLWRMAKNHDBE-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000369408087 169223614 /nfs/dbraw/zinc/22/36/14/169223614.db2.gz JSPLWRMAKNHDBE-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO c1cc2c(c(C[N@H+](C3CC3)C3COC3)c1)OCO2 ZINC000296093321 183337869 /nfs/dbraw/zinc/33/78/69/183337869.db2.gz RJMXKKQEQPSVLO-UHFFFAOYSA-N 1 2 247.294 1.779 20 0 BDADLO c1cc2c(c(C[N@@H+](C3CC3)C3COC3)c1)OCO2 ZINC000296093321 183337870 /nfs/dbraw/zinc/33/78/70/183337870.db2.gz RJMXKKQEQPSVLO-UHFFFAOYSA-N 1 2 247.294 1.779 20 0 BDADLO c1cc(C[NH+]2CCC3(CC2)OCCO3)no1 ZINC000122702495 183340806 /nfs/dbraw/zinc/34/08/06/183340806.db2.gz JTSQQUFZQSPCQM-UHFFFAOYSA-N 1 2 224.260 1.014 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3CCOC[C@H]32)c[nH]1 ZINC000366492675 183346256 /nfs/dbraw/zinc/34/62/56/183346256.db2.gz WGQWNKCLSVQYOR-NEPJUHHUSA-N 1 2 222.288 1.004 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3CCOC[C@H]32)c[nH]1 ZINC000366492675 183346257 /nfs/dbraw/zinc/34/62/57/183346257.db2.gz WGQWNKCLSVQYOR-NEPJUHHUSA-N 1 2 222.288 1.004 20 0 BDADLO c1nnc(CCCNc2cc[nH+]c(C3CC3)n2)[nH]1 ZINC000280975074 183357386 /nfs/dbraw/zinc/35/73/86/183357386.db2.gz MRIFSPOMSLINHL-UHFFFAOYSA-N 1 2 244.302 1.517 20 0 BDADLO c1c[nH+]c(CNc2cccc3c2CCO3)[nH]1 ZINC000309615533 183358590 /nfs/dbraw/zinc/35/85/90/183358590.db2.gz NVHDWFRARXJCFI-UHFFFAOYSA-N 1 2 215.256 1.957 20 0 BDADLO CCCNC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000125351019 169219354 /nfs/dbraw/zinc/21/93/54/169219354.db2.gz LVZBFGWLUSLSQY-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCCNC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000125351019 169219356 /nfs/dbraw/zinc/21/93/56/169219356.db2.gz LVZBFGWLUSLSQY-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340870777 169222078 /nfs/dbraw/zinc/22/20/78/169222078.db2.gz CJNAXQCCFCJMDL-LBPRGKRZSA-N 1 2 228.336 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340870777 169222080 /nfs/dbraw/zinc/22/20/80/169222080.db2.gz CJNAXQCCFCJMDL-LBPRGKRZSA-N 1 2 228.336 1.014 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000298666895 169222708 /nfs/dbraw/zinc/22/27/08/169222708.db2.gz MAZWGUQMCDHPJV-UHFFFAOYSA-N 1 2 238.356 1.632 20 0 BDADLO CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000298666895 169222710 /nfs/dbraw/zinc/22/27/10/169222710.db2.gz MAZWGUQMCDHPJV-UHFFFAOYSA-N 1 2 238.356 1.632 20 0 BDADLO c1snnc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000036902020 183368327 /nfs/dbraw/zinc/36/83/27/183368327.db2.gz LXWOVSZUKBMKLY-UHFFFAOYSA-N 1 2 249.295 1.557 20 0 BDADLO CCCNC(=O)[C@H](C)Nc1cc(CC)[nH+]cn1 ZINC000049217949 169247059 /nfs/dbraw/zinc/24/70/59/169247059.db2.gz DESWGGJOPWZNEA-VIFPVBQESA-N 1 2 236.319 1.366 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000182391685 134345099 /nfs/dbraw/zinc/34/50/99/134345099.db2.gz BUSBXWMVGKZULN-AOOOYVTPSA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000182391685 134345100 /nfs/dbraw/zinc/34/51/00/134345100.db2.gz BUSBXWMVGKZULN-AOOOYVTPSA-N 1 2 239.319 1.694 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000052927683 169601628 /nfs/dbraw/zinc/60/16/28/169601628.db2.gz HSPGSSOSABANMQ-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCCc1noc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000052927683 169601630 /nfs/dbraw/zinc/60/16/30/169601630.db2.gz HSPGSSOSABANMQ-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO C[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000348150689 383910311 /nfs/dbraw/zinc/91/03/11/383910311.db2.gz ZJSZSJIEJSWEEV-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO CCCC[C@H](COC)[NH2+]Cc1ncn(C)n1 ZINC000090969713 383924867 /nfs/dbraw/zinc/92/48/67/383924867.db2.gz VTXMCKDWQVLGJT-SNVBAGLBSA-N 1 2 226.324 1.110 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(C)CCC1 ZINC000292384886 383925055 /nfs/dbraw/zinc/92/50/55/383925055.db2.gz QJXSIVRNVGSGKC-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO C[C@@H]([NH2+]Cc1cscn1)C(=O)NC(C)(C)C ZINC000067502430 383927229 /nfs/dbraw/zinc/92/72/29/383927229.db2.gz TVODTUVHAGEHOD-MRVPVSSYSA-N 1 2 241.360 1.536 20 0 BDADLO CCO[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332409539 383928626 /nfs/dbraw/zinc/92/86/26/383928626.db2.gz NCVVTCOQJRBUNW-VHSXEESVSA-N 1 2 237.303 1.498 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)o2)[C@H]1C ZINC000559349740 383894600 /nfs/dbraw/zinc/89/46/00/383894600.db2.gz LLPAHMIZUFOYDX-YUMQZZPRSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)o2)[C@H]1C ZINC000559349740 383894605 /nfs/dbraw/zinc/89/46/05/383894605.db2.gz LLPAHMIZUFOYDX-YUMQZZPRSA-N 1 2 207.277 1.787 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000036734055 383906366 /nfs/dbraw/zinc/90/63/66/383906366.db2.gz MRLIJEJKLBKJTF-UHFFFAOYSA-N 1 2 233.275 1.252 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C2CC2)CC1 ZINC000572615277 383994381 /nfs/dbraw/zinc/99/43/81/383994381.db2.gz WABRWGGGYZDYLB-SNVBAGLBSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C2CC2)CC1 ZINC000572615277 383994384 /nfs/dbraw/zinc/99/43/84/383994384.db2.gz WABRWGGGYZDYLB-SNVBAGLBSA-N 1 2 247.342 1.895 20 0 BDADLO CCN(C)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000332443412 383961654 /nfs/dbraw/zinc/96/16/54/383961654.db2.gz FDEDIQMHMXDEKM-UHFFFAOYSA-N 1 2 229.324 1.100 20 0 BDADLO CCN(C)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000332443412 383961655 /nfs/dbraw/zinc/96/16/55/383961655.db2.gz FDEDIQMHMXDEKM-UHFFFAOYSA-N 1 2 229.324 1.100 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn(C)c1)C(F)F ZINC000449358113 383966648 /nfs/dbraw/zinc/96/66/48/383966648.db2.gz DVPJAWVAPFPSPV-MRVPVSSYSA-N 1 2 203.236 1.553 20 0 BDADLO COC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000113355660 383976929 /nfs/dbraw/zinc/97/69/29/383976929.db2.gz GOGCYTJLJBQYPV-GFCCVEGCSA-N 1 2 231.299 1.887 20 0 BDADLO CN(Cc1ccon1)Cc1cc[nH+]c(N)c1 ZINC000278554683 384019263 /nfs/dbraw/zinc/01/92/63/384019263.db2.gz UQJCNNXPFPWEFJ-UHFFFAOYSA-N 1 2 218.260 1.284 20 0 BDADLO O=C(CCc1ccsc1)NCc1[nH]cc[nH+]1 ZINC000114125392 384023589 /nfs/dbraw/zinc/02/35/89/384023589.db2.gz LPQLYXWTYWLSHH-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO COC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000073416126 384024179 /nfs/dbraw/zinc/02/41/79/384024179.db2.gz OAUYGNQFFMLUDV-ZCFIWIBFSA-N 1 2 227.289 1.021 20 0 BDADLO CC[N@H+](CCCNC(N)=O)c1ccccc1 ZINC000073137833 384026094 /nfs/dbraw/zinc/02/60/94/384026094.db2.gz ZQNHMGOFXZAATG-UHFFFAOYSA-N 1 2 221.304 1.571 20 0 BDADLO CC[N@@H+](CCCNC(N)=O)c1ccccc1 ZINC000073137833 384026100 /nfs/dbraw/zinc/02/61/00/384026100.db2.gz ZQNHMGOFXZAATG-UHFFFAOYSA-N 1 2 221.304 1.571 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000569422355 384006728 /nfs/dbraw/zinc/00/67/28/384006728.db2.gz DHKJUNHWEPEYGT-JTQLQIEISA-N 1 2 238.335 1.021 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000569422355 384006736 /nfs/dbraw/zinc/00/67/36/384006736.db2.gz DHKJUNHWEPEYGT-JTQLQIEISA-N 1 2 238.335 1.021 20 0 BDADLO CC[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278493684 384013027 /nfs/dbraw/zinc/01/30/27/384013027.db2.gz WMSAHYSYZYLSSN-ZCFIWIBFSA-N 1 2 220.280 1.156 20 0 BDADLO C[C@H]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000558446629 384014342 /nfs/dbraw/zinc/01/43/42/384014342.db2.gz VINVNRVVHBXDGF-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000558446628 384014636 /nfs/dbraw/zinc/01/46/36/384014636.db2.gz VINVNRVVHBXDGF-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000075776902 384051148 /nfs/dbraw/zinc/05/11/48/384051148.db2.gz XILFKWCVEKMTPS-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000075776902 384051152 /nfs/dbraw/zinc/05/11/52/384051152.db2.gz XILFKWCVEKMTPS-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000336505730 384029797 /nfs/dbraw/zinc/02/97/97/384029797.db2.gz ZGYNPBZSWHCOBD-NWDGAFQWSA-N 1 2 214.328 1.905 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000336505730 384029800 /nfs/dbraw/zinc/02/98/00/384029800.db2.gz ZGYNPBZSWHCOBD-NWDGAFQWSA-N 1 2 214.328 1.905 20 0 BDADLO COc1cccnc1NC(=O)Cc1c[nH+]cn1C ZINC000558492184 384042002 /nfs/dbraw/zinc/04/20/02/384042002.db2.gz YHIASEGESIKLBH-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCCCCC1 ZINC000292460070 384042247 /nfs/dbraw/zinc/04/22/47/384042247.db2.gz XSOFPWLXXTYAFI-UHFFFAOYSA-N 1 2 236.319 1.506 20 0 BDADLO CS[C@H](CO)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000078296307 384061293 /nfs/dbraw/zinc/06/12/93/384061293.db2.gz FHIDNEUYWLOPBG-VXNVDRBHSA-N 1 2 227.333 1.309 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000049956528 384071698 /nfs/dbraw/zinc/07/16/98/384071698.db2.gz WZDDTEWZLAYBFZ-MRVPVSSYSA-N 1 2 213.302 1.741 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000049956528 384071702 /nfs/dbraw/zinc/07/17/02/384071702.db2.gz WZDDTEWZLAYBFZ-MRVPVSSYSA-N 1 2 213.302 1.741 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)nc1 ZINC000070082841 384078461 /nfs/dbraw/zinc/07/84/61/384078461.db2.gz MWTKUOMJLOXKCU-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1F)c1cnccn1 ZINC000530476154 384109512 /nfs/dbraw/zinc/10/95/12/384109512.db2.gz VQZUDUXYWMIVMQ-VIFPVBQESA-N 1 2 232.262 1.862 20 0 BDADLO CCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000070248313 384092756 /nfs/dbraw/zinc/09/27/56/384092756.db2.gz IKSRPXXUQYMNRV-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCCC(C)C)C1CC1 ZINC000227769432 134394030 /nfs/dbraw/zinc/39/40/30/134394030.db2.gz RHKOFNQVXPJGQB-GFCCVEGCSA-N 1 2 243.347 1.590 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccco2)cn1 ZINC000071089395 384150363 /nfs/dbraw/zinc/15/03/63/384150363.db2.gz FFBVRKZFZMFFCN-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccco2)cn1 ZINC000071089395 384150367 /nfs/dbraw/zinc/15/03/67/384150367.db2.gz FFBVRKZFZMFFCN-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1cncc(F)c1 ZINC000227772716 134393693 /nfs/dbraw/zinc/39/36/93/134393693.db2.gz GHUBKDIOIDZROS-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO CC[C@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000560453793 384145852 /nfs/dbraw/zinc/14/58/52/384145852.db2.gz WXJLPUDFOSAPRQ-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995286 384159087 /nfs/dbraw/zinc/15/90/87/384159087.db2.gz BNFKMVFMNHZFQL-GFCCVEGCSA-N 1 2 239.315 1.998 20 0 BDADLO CCOCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995286 384159089 /nfs/dbraw/zinc/15/90/89/384159089.db2.gz BNFKMVFMNHZFQL-GFCCVEGCSA-N 1 2 239.315 1.998 20 0 BDADLO CS[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237419359 384178964 /nfs/dbraw/zinc/17/89/64/384178964.db2.gz JLAXXGWTNPKHLI-ZCFIWIBFSA-N 1 2 211.290 1.354 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000093050535 384206218 /nfs/dbraw/zinc/20/62/18/384206218.db2.gz QWWGGXCDLIQAQU-LBPRGKRZSA-N 1 2 234.299 1.103 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000093050535 384206227 /nfs/dbraw/zinc/20/62/27/384206227.db2.gz QWWGGXCDLIQAQU-LBPRGKRZSA-N 1 2 234.299 1.103 20 0 BDADLO CCCCOCC(=O)Nc1c[nH+]ccc1OC ZINC000118218406 384196227 /nfs/dbraw/zinc/19/62/27/384196227.db2.gz VDNKVUQZOKKNHH-UHFFFAOYSA-N 1 2 238.287 1.845 20 0 BDADLO C[N@H+](CCC(C)(C)O)Cc1cscn1 ZINC000081676058 384196436 /nfs/dbraw/zinc/19/64/36/384196436.db2.gz KFVCYNFTAUNYAL-UHFFFAOYSA-N 1 2 214.334 1.736 20 0 BDADLO C[N@@H+](CCC(C)(C)O)Cc1cscn1 ZINC000081676058 384196438 /nfs/dbraw/zinc/19/64/38/384196438.db2.gz KFVCYNFTAUNYAL-UHFFFAOYSA-N 1 2 214.334 1.736 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc(Cl)cc2)n1 ZINC000092851936 384196726 /nfs/dbraw/zinc/19/67/26/384196726.db2.gz LVWWAJCUUCIHGO-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO Cc1csc(C[N@H+](C)CCn2cccn2)n1 ZINC000118404351 384200203 /nfs/dbraw/zinc/20/02/03/384200203.db2.gz DDGCQEHSOPVNDV-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO Cc1csc(C[N@@H+](C)CCn2cccn2)n1 ZINC000118404351 384200208 /nfs/dbraw/zinc/20/02/08/384200208.db2.gz DDGCQEHSOPVNDV-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO CC(C)C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000132175037 384220331 /nfs/dbraw/zinc/22/03/31/384220331.db2.gz YGTXBRPYYDRUPY-NSHDSACASA-N 1 2 238.335 1.617 20 0 BDADLO Cc1cc(C)c(CNC(=O)N(C)C)c[nH+]1 ZINC000334680989 384223160 /nfs/dbraw/zinc/22/31/60/384223160.db2.gz LZKJSLWCYLBSMT-UHFFFAOYSA-N 1 2 207.277 1.470 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COC(C)(C)C ZINC000158389694 384226270 /nfs/dbraw/zinc/22/62/70/384226270.db2.gz SIFQENWACDDVCZ-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H](COC)C2)o1 ZINC000093528702 384248317 /nfs/dbraw/zinc/24/83/17/384248317.db2.gz ZTMMILCOMAFHBE-CYBMUJFWSA-N 1 2 239.315 1.689 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H](COC)C2)o1 ZINC000093528702 384248321 /nfs/dbraw/zinc/24/83/21/384248321.db2.gz ZTMMILCOMAFHBE-CYBMUJFWSA-N 1 2 239.315 1.689 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)[C@@H](C)CO)C(=O)OC ZINC000300007796 384276751 /nfs/dbraw/zinc/27/67/51/384276751.db2.gz GHSQBVCQZFWKFW-DCAQKATOSA-N 1 2 231.336 1.325 20 0 BDADLO COC1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC000426887662 384304240 /nfs/dbraw/zinc/30/42/40/384304240.db2.gz YKDYDFVTKOAJKV-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@@H](C)C2)nc(N)[nH+]1 ZINC000304458026 384317900 /nfs/dbraw/zinc/31/79/00/384317900.db2.gz LQOHPRHZBMBANA-VXNVDRBHSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000304458026 384317906 /nfs/dbraw/zinc/31/79/06/384317906.db2.gz LQOHPRHZBMBANA-VXNVDRBHSA-N 1 2 221.308 1.610 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CCCO2)c1Cl ZINC000227840559 384279083 /nfs/dbraw/zinc/27/90/83/384279083.db2.gz IFPPODBQSNPQQT-ZCFIWIBFSA-N 1 2 228.683 1.303 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CCCO2)c1Cl ZINC000227840559 384279088 /nfs/dbraw/zinc/27/90/88/384279088.db2.gz IFPPODBQSNPQQT-ZCFIWIBFSA-N 1 2 228.683 1.303 20 0 BDADLO FC(F)C[NH2+]Cc1cnn2ccccc12 ZINC000147294907 384285787 /nfs/dbraw/zinc/28/57/87/384285787.db2.gz DMIQRLUMFOXEGQ-UHFFFAOYSA-N 1 2 211.215 1.689 20 0 BDADLO COCC[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119781230 384301022 /nfs/dbraw/zinc/30/10/22/384301022.db2.gz ZLGHZPMOHCNRDS-VIFPVBQESA-N 1 2 237.303 1.937 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc(F)c1 ZINC000134200720 384339490 /nfs/dbraw/zinc/33/94/90/384339490.db2.gz XIHCJXBEFDHQRO-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084092916 384364061 /nfs/dbraw/zinc/36/40/61/384364061.db2.gz OWQHWGCWPNQUCT-NGZCFLSTSA-N 1 2 227.304 1.047 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084092916 384364063 /nfs/dbraw/zinc/36/40/63/384364063.db2.gz OWQHWGCWPNQUCT-NGZCFLSTSA-N 1 2 227.304 1.047 20 0 BDADLO CCc1cc(N)nc(SCCC[C@@H](C)O)[nH+]1 ZINC000330364503 384369000 /nfs/dbraw/zinc/36/90/00/384369000.db2.gz PVIHVAQQZQOBLP-MRVPVSSYSA-N 1 2 241.360 1.705 20 0 BDADLO COCCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000533451507 384330991 /nfs/dbraw/zinc/33/09/91/384330991.db2.gz UVRBGVORNBCKAY-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO COCCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175131426 384398810 /nfs/dbraw/zinc/39/88/10/384398810.db2.gz SDEXJOIVWLQUOU-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO COCCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175131426 384398814 /nfs/dbraw/zinc/39/88/14/384398814.db2.gz SDEXJOIVWLQUOU-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CC(=O)c1nccn1Cc1c[nH+]ccc1C ZINC000334957708 384404254 /nfs/dbraw/zinc/40/42/54/384404254.db2.gz ILBUNNAPRMYEJV-UHFFFAOYSA-N 1 2 215.256 1.837 20 0 BDADLO C[C@@H](O)CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000160554282 384419904 /nfs/dbraw/zinc/41/99/04/384419904.db2.gz XOMBDQULKFUEGH-SECBINFHSA-N 1 2 219.288 1.770 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CC[C@H]1O ZINC000335603951 384375826 /nfs/dbraw/zinc/37/58/26/384375826.db2.gz NNXBFRWBHQMTSW-MWLCHTKSSA-N 1 2 217.272 1.509 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344976 384449441 /nfs/dbraw/zinc/44/94/41/384449441.db2.gz UACOWKOTLXPYEY-ZJUUUORDSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344976 384449447 /nfs/dbraw/zinc/44/94/47/384449447.db2.gz UACOWKOTLXPYEY-ZJUUUORDSA-N 1 2 238.331 1.927 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000564702800 384456892 /nfs/dbraw/zinc/45/68/92/384456892.db2.gz ABJQZFKGQQTWTG-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000564702800 384456896 /nfs/dbraw/zinc/45/68/96/384456896.db2.gz ABJQZFKGQQTWTG-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCOC1 ZINC000121622338 384430621 /nfs/dbraw/zinc/43/06/21/384430621.db2.gz SJWKJTWNSSGZKO-SNVBAGLBSA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc[nH]2)no1 ZINC000175426914 384434986 /nfs/dbraw/zinc/43/49/86/384434986.db2.gz TUQLSQOAXYWCNJ-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc[nH]2)no1 ZINC000175426914 384434991 /nfs/dbraw/zinc/43/49/91/384434991.db2.gz TUQLSQOAXYWCNJ-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO C[C@@]1(O)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000161647791 384512094 /nfs/dbraw/zinc/51/20/94/384512094.db2.gz UFWBIDFXIIKHEK-CYBMUJFWSA-N 1 2 231.299 1.914 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1CC12CC2 ZINC000335020825 384490124 /nfs/dbraw/zinc/49/01/24/384490124.db2.gz IMEXJGRBVUARGR-JTQLQIEISA-N 1 2 245.326 1.911 20 0 BDADLO CC(C)(C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000300757509 384532886 /nfs/dbraw/zinc/53/28/86/384532886.db2.gz DXVVVRKMWOJQON-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO Nc1[nH+]cnc(NC2CCOCC2)c1Cl ZINC000183606964 384548354 /nfs/dbraw/zinc/54/83/54/384548354.db2.gz KXYLFYFUYPQQDG-UHFFFAOYSA-N 1 2 228.683 1.303 20 0 BDADLO Nc1nc[nH+]c(NC2CCOCC2)c1Cl ZINC000183606964 384548362 /nfs/dbraw/zinc/54/83/62/384548362.db2.gz KXYLFYFUYPQQDG-UHFFFAOYSA-N 1 2 228.683 1.303 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000564915916 384561505 /nfs/dbraw/zinc/56/15/05/384561505.db2.gz ONDDNTRUSRIBGD-SNVBAGLBSA-N 1 2 209.293 1.409 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000564915916 384561512 /nfs/dbraw/zinc/56/15/12/384561512.db2.gz ONDDNTRUSRIBGD-SNVBAGLBSA-N 1 2 209.293 1.409 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCCC[C@H]1CO ZINC000049752069 384561839 /nfs/dbraw/zinc/56/18/39/384561839.db2.gz WBQVTNWRRYFGTP-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCCC[C@H]1CO ZINC000049752069 384561843 /nfs/dbraw/zinc/56/18/43/384561843.db2.gz WBQVTNWRRYFGTP-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO O[C@H]1CCCC[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000569609528 384538517 /nfs/dbraw/zinc/53/85/17/384538517.db2.gz RNYBAUOMSGTXGT-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1CCCC[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000569609528 384538522 /nfs/dbraw/zinc/53/85/22/384538522.db2.gz RNYBAUOMSGTXGT-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccccc1 ZINC000049900393 384574478 /nfs/dbraw/zinc/57/44/78/384574478.db2.gz RPNUGDHQBHGELT-UHFFFAOYSA-N 1 2 207.273 1.334 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000049900393 384574483 /nfs/dbraw/zinc/57/44/83/384574483.db2.gz RPNUGDHQBHGELT-UHFFFAOYSA-N 1 2 207.273 1.334 20 0 BDADLO CC[C@@H](C[NH2+][C@](C)(C(=O)OC)C1CC1)OC ZINC000561234810 384582678 /nfs/dbraw/zinc/58/26/78/384582678.db2.gz DAQGVCZDJKYKSM-JQWIXIFHSA-N 1 2 229.320 1.343 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)Cc1ccoc1C ZINC000172396879 384584593 /nfs/dbraw/zinc/58/45/93/384584593.db2.gz IAMQGJOMMDLWIN-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccoc1C ZINC000172396879 384584595 /nfs/dbraw/zinc/58/45/95/384584595.db2.gz IAMQGJOMMDLWIN-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO Cc1cc(C[N@H+]2CCSC[C@@H]2C)no1 ZINC000172593677 384607468 /nfs/dbraw/zinc/60/74/68/384607468.db2.gz BERKKUPVJINHAJ-QMMMGPOBSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cc(C[N@@H+]2CCSC[C@@H]2C)no1 ZINC000172593677 384607477 /nfs/dbraw/zinc/60/74/77/384607477.db2.gz BERKKUPVJINHAJ-QMMMGPOBSA-N 1 2 212.318 1.920 20 0 BDADLO CC1=C(C(=O)NCc2c[nH+]cn2C)CCC1 ZINC000335201253 384622585 /nfs/dbraw/zinc/62/25/85/384622585.db2.gz SSEMHEVSXWXVIO-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO Cc1c[nH]c(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC000561285287 384622940 /nfs/dbraw/zinc/62/29/40/384622940.db2.gz INTFUXNJBZERAO-UHFFFAOYSA-N 1 2 233.275 1.358 20 0 BDADLO Cc1c[nH]c(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n1 ZINC000561285287 384622947 /nfs/dbraw/zinc/62/29/47/384622947.db2.gz INTFUXNJBZERAO-UHFFFAOYSA-N 1 2 233.275 1.358 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCNC(=O)[C@H]2C)s1 ZINC000172775656 384625479 /nfs/dbraw/zinc/62/54/79/384625479.db2.gz ULFOKUWINWAZTR-MRVPVSSYSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCNC(=O)[C@H]2C)s1 ZINC000172775656 384625485 /nfs/dbraw/zinc/62/54/85/384625485.db2.gz ULFOKUWINWAZTR-MRVPVSSYSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000302666948 384630444 /nfs/dbraw/zinc/63/04/44/384630444.db2.gz ZQOQMHUPJJYOSI-PSASIEDQSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1nc(N)nc(N(C)[C@@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000302666948 384630446 /nfs/dbraw/zinc/63/04/46/384630446.db2.gz ZQOQMHUPJJYOSI-PSASIEDQSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccon1 ZINC000309781858 384597707 /nfs/dbraw/zinc/59/77/07/384597707.db2.gz NBPRGEIZZAYJCN-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cncc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368326287 384665823 /nfs/dbraw/zinc/66/58/23/384665823.db2.gz CKJRXXKRBUZGPH-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cncc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368326287 384665830 /nfs/dbraw/zinc/66/58/30/384665830.db2.gz CKJRXXKRBUZGPH-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO CC/C=C(\C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363668924 384676318 /nfs/dbraw/zinc/67/63/18/384676318.db2.gz BENYENNGEUTFSX-BJMVGYQFSA-N 1 2 233.315 1.890 20 0 BDADLO CCC[N@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000042321811 384636480 /nfs/dbraw/zinc/63/64/80/384636480.db2.gz UBCGLPZGOBVXAQ-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CCC[N@@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000042321811 384636488 /nfs/dbraw/zinc/63/64/88/384636488.db2.gz UBCGLPZGOBVXAQ-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ncn(C)n1 ZINC000309807559 384636997 /nfs/dbraw/zinc/63/69/97/384636997.db2.gz SOGQLRGVFIOCBO-SECBINFHSA-N 1 2 219.292 1.004 20 0 BDADLO C[C@H](Cc1ccc(F)cc1)[NH2+]CC(F)(F)CO ZINC000184713514 384640631 /nfs/dbraw/zinc/64/06/31/384640631.db2.gz UMDYVWPDJNDCBZ-SECBINFHSA-N 1 2 247.260 1.974 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)Cc1ccco1 ZINC000048777339 384675394 /nfs/dbraw/zinc/67/53/94/384675394.db2.gz PIPMAUZGUNGOSZ-UHFFFAOYSA-N 1 2 232.283 1.933 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)Cc1ccco1 ZINC000048777339 384675400 /nfs/dbraw/zinc/67/54/00/384675400.db2.gz PIPMAUZGUNGOSZ-UHFFFAOYSA-N 1 2 232.283 1.933 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000184787837 384649535 /nfs/dbraw/zinc/64/95/35/384649535.db2.gz PZZQACPTWVALED-NEPJUHHUSA-N 1 2 235.331 1.682 20 0 BDADLO Cc1cc[nH+]c(NCCn2cncn2)c1Cl ZINC000336748031 384652446 /nfs/dbraw/zinc/65/24/46/384652446.db2.gz XSFIWRKBUIIUPI-UHFFFAOYSA-N 1 2 237.694 1.747 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@](C)=O)oc1C ZINC000185101031 384681690 /nfs/dbraw/zinc/68/16/90/384681690.db2.gz KDQMIDQXXQQNHB-BCTVWOGZSA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@](C)=O)oc1C ZINC000185101031 384681697 /nfs/dbraw/zinc/68/16/97/384681697.db2.gz KDQMIDQXXQQNHB-BCTVWOGZSA-N 1 2 244.360 1.490 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000176537347 384683764 /nfs/dbraw/zinc/68/37/64/384683764.db2.gz GQKFXSUBXOZAIO-WDEREUQCSA-N 1 2 219.288 1.045 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C(F)(F)F ZINC000082557147 384693482 /nfs/dbraw/zinc/69/34/82/384693482.db2.gz QEIQEQYJTBUYCR-UHFFFAOYSA-N 1 2 204.151 1.891 20 0 BDADLO CSc1cc(C[NH2+]Cc2ncc[nH]2)ccn1 ZINC000336660711 384696263 /nfs/dbraw/zinc/69/62/63/384696263.db2.gz CMPUSXNPYGDEMJ-UHFFFAOYSA-N 1 2 234.328 1.816 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)OC(C)(C)C ZINC000082609877 384696930 /nfs/dbraw/zinc/69/69/30/384696930.db2.gz DTMDQMFDDVKJHU-SECBINFHSA-N 1 2 225.292 1.796 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2c(c1)CCO2 ZINC000051922889 384703843 /nfs/dbraw/zinc/70/38/43/384703843.db2.gz BJYZYCGUHPHDSJ-UHFFFAOYSA-N 1 2 229.283 1.967 20 0 BDADLO C[C@@H]1CC[C@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC000173783545 384720356 /nfs/dbraw/zinc/72/03/56/384720356.db2.gz WLDHNXWURSHSDF-ZJUUUORDSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000173783583 384720943 /nfs/dbraw/zinc/72/09/43/384720943.db2.gz WLDHNXWURSHSDF-VHSXEESVSA-N 1 2 245.330 1.988 20 0 BDADLO COC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000557047988 384775566 /nfs/dbraw/zinc/77/55/66/384775566.db2.gz SRNOKXJXPCZWDF-MRVPVSSYSA-N 1 2 223.276 1.156 20 0 BDADLO CCOCC[NH2+]C(C)(C)c1noc(CC)n1 ZINC000309944396 384729418 /nfs/dbraw/zinc/72/94/18/384729418.db2.gz CTMYUOSHBZLSEL-UHFFFAOYSA-N 1 2 227.308 1.493 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000620077253 384738605 /nfs/dbraw/zinc/73/86/05/384738605.db2.gz CVNFPHULFSRSJF-IINYFYTJSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000536380286 384757486 /nfs/dbraw/zinc/75/74/86/384757486.db2.gz ZFSSEUGSSLDTBG-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO CCc1cc(N)nc(SCC(F)F)[nH+]1 ZINC000279059163 384768849 /nfs/dbraw/zinc/76/88/49/384768849.db2.gz IKYSKKAQZWWZGR-UHFFFAOYSA-N 1 2 219.260 1.978 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](CC)C1 ZINC000229444440 384821758 /nfs/dbraw/zinc/82/17/58/384821758.db2.gz BJRSLLMPVDPGJA-ZJUUUORDSA-N 1 2 231.361 1.765 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCS[C@@H](CC)C1 ZINC000229444440 384821766 /nfs/dbraw/zinc/82/17/66/384821766.db2.gz BJRSLLMPVDPGJA-ZJUUUORDSA-N 1 2 231.361 1.765 20 0 BDADLO C[C@@H]1OCC[C@@H]1SCc1[nH+]ccn1C ZINC000163547883 384821621 /nfs/dbraw/zinc/82/16/21/384821621.db2.gz QWZORRBLESOYFB-IUCAKERBSA-N 1 2 212.318 1.831 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)on1 ZINC000126720585 384824109 /nfs/dbraw/zinc/82/41/09/384824109.db2.gz LGEMOASTJMFJBE-BJOHPYRUSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)on1 ZINC000126720585 384824123 /nfs/dbraw/zinc/82/41/23/384824123.db2.gz LGEMOASTJMFJBE-BJOHPYRUSA-N 1 2 230.333 1.182 20 0 BDADLO CN1CC[N@H+](C/C=C\c2ccccc2)CC1=O ZINC000255567218 384835598 /nfs/dbraw/zinc/83/55/98/384835598.db2.gz AQNSHHSUDOJFKC-YVMONPNESA-N 1 2 230.311 1.474 20 0 BDADLO CN1CC[N@@H+](C/C=C\c2ccccc2)CC1=O ZINC000255567218 384835610 /nfs/dbraw/zinc/83/56/10/384835610.db2.gz AQNSHHSUDOJFKC-YVMONPNESA-N 1 2 230.311 1.474 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC1(F)F ZINC000644263114 384785045 /nfs/dbraw/zinc/78/50/45/384785045.db2.gz JSFSZSMUOXRTGD-SECBINFHSA-N 1 2 243.257 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC1(F)F ZINC000644263114 384785054 /nfs/dbraw/zinc/78/50/54/384785054.db2.gz JSFSZSMUOXRTGD-SECBINFHSA-N 1 2 243.257 1.565 20 0 BDADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(F)cc1 ZINC000398074560 384796772 /nfs/dbraw/zinc/79/67/72/384796772.db2.gz LECWAUHWAXPTMZ-NSHDSACASA-N 1 2 249.293 1.590 20 0 BDADLO Cc1ccc(NC(=O)C(=O)N(C)C(C)C)c(C)[nH+]1 ZINC000163441125 384805915 /nfs/dbraw/zinc/80/59/15/384805915.db2.gz AKKSTFVRQIULTA-UHFFFAOYSA-N 1 2 249.314 1.504 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000301292831 384872546 /nfs/dbraw/zinc/87/25/46/384872546.db2.gz QZJUXWINRRUAAI-SECBINFHSA-N 1 2 243.332 1.020 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000644454428 384886075 /nfs/dbraw/zinc/88/60/75/384886075.db2.gz VNXMBIXSSWCCTC-JGVFFNPUSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(F)(F)F ZINC000644454428 384886082 /nfs/dbraw/zinc/88/60/82/384886082.db2.gz VNXMBIXSSWCCTC-JGVFFNPUSA-N 1 2 238.253 1.538 20 0 BDADLO Cc1c(C[NH2+][C@@H](C)c2csnn2)cnn1C ZINC000398287078 384887193 /nfs/dbraw/zinc/88/71/93/384887193.db2.gz NUOXSWPDRAERGG-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO Clc1ccc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000105879244 384888096 /nfs/dbraw/zinc/88/80/96/384888096.db2.gz RDNOILLZOPBLJA-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ccc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000105879244 384888106 /nfs/dbraw/zinc/88/81/06/384888106.db2.gz RDNOILLZOPBLJA-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CC[C@@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000072236220 384840681 /nfs/dbraw/zinc/84/06/81/384840681.db2.gz OOYIFSVVWQIXLU-LBPRGKRZSA-N 1 2 219.284 1.954 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000310131518 384852656 /nfs/dbraw/zinc/85/26/56/384852656.db2.gz YGHYPWQHVMYNNA-GRYCIOLGSA-N 1 2 243.347 1.731 20 0 BDADLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COC ZINC000127830313 384953926 /nfs/dbraw/zinc/95/39/26/384953926.db2.gz YBDLCLYGJHOEBI-NSHDSACASA-N 1 2 248.326 1.996 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CNC(=O)C(C)(C)C ZINC000107285707 384961040 /nfs/dbraw/zinc/96/10/40/384961040.db2.gz OWHAKTLVJJXCAR-UHFFFAOYSA-N 1 2 249.314 1.491 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000115741409 384957153 /nfs/dbraw/zinc/95/71/53/384957153.db2.gz BYKLJBYBDISFGY-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000115741409 384957157 /nfs/dbraw/zinc/95/71/57/384957157.db2.gz BYKLJBYBDISFGY-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO C[C@@H](CO)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301569446 384894674 /nfs/dbraw/zinc/89/46/74/384894674.db2.gz ZYIVGUDNGGVTBI-SECBINFHSA-N 1 2 223.320 1.814 20 0 BDADLO Cc1cscc1C(=O)NCCn1cc[nH+]c1 ZINC000175364324 384898400 /nfs/dbraw/zinc/89/84/00/384898400.db2.gz SUPNXQAVFPNJFY-UHFFFAOYSA-N 1 2 235.312 1.683 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2nccc(C)n2)no1 ZINC000559399753 384898607 /nfs/dbraw/zinc/89/86/07/384898607.db2.gz LLDMZGQYXZOPOU-UHFFFAOYSA-N 1 2 247.302 1.151 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2nccc(C)n2)no1 ZINC000559399753 384898610 /nfs/dbraw/zinc/89/86/10/384898610.db2.gz LLDMZGQYXZOPOU-UHFFFAOYSA-N 1 2 247.302 1.151 20 0 BDADLO CC[C@@H]1CCCN1C(=O)NCc1c[nH+]cn1C ZINC000336290753 384959121 /nfs/dbraw/zinc/95/91/21/384959121.db2.gz CQPQDZPSJKPQKQ-SNVBAGLBSA-N 1 2 236.319 1.504 20 0 BDADLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCF)C1 ZINC000497259415 384917151 /nfs/dbraw/zinc/91/71/51/384917151.db2.gz HFJBMHALLAULHA-SECBINFHSA-N 1 2 218.272 1.119 20 0 BDADLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CCF)C1 ZINC000497259415 384917156 /nfs/dbraw/zinc/91/71/56/384917156.db2.gz HFJBMHALLAULHA-SECBINFHSA-N 1 2 218.272 1.119 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1(OC)CCCC1)C1CC1 ZINC000310244749 384919665 /nfs/dbraw/zinc/91/96/65/384919665.db2.gz JFBPUGLIUHTJQZ-LLVKDONJSA-N 1 2 241.331 1.487 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(COC2CCC2)no1 ZINC000634674095 384928257 /nfs/dbraw/zinc/92/82/57/384928257.db2.gz JKZAKUWWECNAIX-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(COC2CCC2)no1 ZINC000634674095 384928272 /nfs/dbraw/zinc/92/82/72/384928272.db2.gz JKZAKUWWECNAIX-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)[C@H]1CCOC1 ZINC000106880683 384936487 /nfs/dbraw/zinc/93/64/87/384936487.db2.gz MZDPNVBTNDOTHJ-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000106880683 384936490 /nfs/dbraw/zinc/93/64/90/384936490.db2.gz MZDPNVBTNDOTHJ-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)n1 ZINC000647610298 384936936 /nfs/dbraw/zinc/93/69/36/384936936.db2.gz KWQGMPFQVORJGQ-FJXKBIBVSA-N 1 2 211.265 1.206 20 0 BDADLO CCc1cc(N)nc(SC[C@@H]2CCOC2)[nH+]1 ZINC000279146637 384971499 /nfs/dbraw/zinc/97/14/99/384971499.db2.gz ZGOCUNYWNWGVRI-MRVPVSSYSA-N 1 2 239.344 1.750 20 0 BDADLO O=C1NC[C@H]2C[N@H+](Cc3ccc(F)cc3)CCN12 ZINC000175890106 384976280 /nfs/dbraw/zinc/97/62/80/384976280.db2.gz ZWPUCDCISHZTBP-LBPRGKRZSA-N 1 2 249.289 1.035 20 0 BDADLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCN12 ZINC000175890106 384976287 /nfs/dbraw/zinc/97/62/87/384976287.db2.gz ZWPUCDCISHZTBP-LBPRGKRZSA-N 1 2 249.289 1.035 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000115574093 384980697 /nfs/dbraw/zinc/98/06/97/384980697.db2.gz ZCPCVZIPVKIPAZ-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000115574093 384980704 /nfs/dbraw/zinc/98/07/04/384980704.db2.gz ZCPCVZIPVKIPAZ-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1ccc(CO)o1 ZINC000128056904 384984924 /nfs/dbraw/zinc/98/49/24/384984924.db2.gz FOSIUAYWXVXCJK-UHFFFAOYSA-N 1 2 221.256 1.997 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1ccc(CO)o1 ZINC000128056904 384984932 /nfs/dbraw/zinc/98/49/32/384984932.db2.gz FOSIUAYWXVXCJK-UHFFFAOYSA-N 1 2 221.256 1.997 20 0 BDADLO CSC[C@H](O)C[N@H+](C)Cc1nccs1 ZINC000187913884 384995932 /nfs/dbraw/zinc/99/59/32/384995932.db2.gz XAGVYTICFVSSAL-MRVPVSSYSA-N 1 2 232.374 1.299 20 0 BDADLO CSC[C@H](O)C[N@@H+](C)Cc1nccs1 ZINC000187913884 384995934 /nfs/dbraw/zinc/99/59/34/384995934.db2.gz XAGVYTICFVSSAL-MRVPVSSYSA-N 1 2 232.374 1.299 20 0 BDADLO CCCc1noc(C[N@H+](CC)CCOCC)n1 ZINC000107791834 385001141 /nfs/dbraw/zinc/00/11/41/385001141.db2.gz QKELBZCMLIEVMU-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCc1noc(C[N@@H+](CC)CCOCC)n1 ZINC000107791834 385001144 /nfs/dbraw/zinc/00/11/44/385001144.db2.gz QKELBZCMLIEVMU-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H](C)C(=O)[O-] ZINC000086300824 385008661 /nfs/dbraw/zinc/00/86/61/385008661.db2.gz QRMPKQWDUGKPBK-WDEREUQCSA-N 1 2 228.336 1.171 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CSCCS1 ZINC000129890188 385014745 /nfs/dbraw/zinc/01/47/45/385014745.db2.gz JHZSJAWYYWFPME-SNVBAGLBSA-N 1 2 243.401 1.656 20 0 BDADLO Cc1cc(C[NH2+]Cc2cocn2)sn1 ZINC000404470515 385015753 /nfs/dbraw/zinc/01/57/53/385015753.db2.gz QKPZWECJBNJTIQ-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO Cc1cn2c([nH+]1)CN([C@H](C)c1cnccn1)CC2 ZINC000364123832 385017697 /nfs/dbraw/zinc/01/76/97/385017697.db2.gz YUNHEFBYUPJUNI-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1=COCCO1 ZINC000107289931 384961882 /nfs/dbraw/zinc/96/18/82/384961882.db2.gz AZHMYTYMGCYCTN-UHFFFAOYSA-N 1 2 220.228 1.217 20 0 BDADLO Cc1ccc(C[NH+]2CCN(C3CC3)CC2)o1 ZINC000127898592 384961927 /nfs/dbraw/zinc/96/19/27/384961927.db2.gz CLWJJYFPWJTPIU-UHFFFAOYSA-N 1 2 220.316 1.868 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152285665 385048572 /nfs/dbraw/zinc/04/85/72/385048572.db2.gz KXXABLGQMVHBCU-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152285665 385048584 /nfs/dbraw/zinc/04/85/84/385048584.db2.gz KXXABLGQMVHBCU-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO O=S1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000336323191 385054439 /nfs/dbraw/zinc/05/44/39/385054439.db2.gz GRBZJSHEFRRSKI-VIFPVBQESA-N 1 2 237.315 1.486 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OC)c1 ZINC000151085361 385084782 /nfs/dbraw/zinc/08/47/82/385084782.db2.gz SWMDPNJMKDGDRG-ZDUSSCGKSA-N 1 2 248.326 1.406 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OC)c1 ZINC000151085361 385084789 /nfs/dbraw/zinc/08/47/89/385084789.db2.gz SWMDPNJMKDGDRG-ZDUSSCGKSA-N 1 2 248.326 1.406 20 0 BDADLO CO[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000569353521 385029722 /nfs/dbraw/zinc/02/97/22/385029722.db2.gz SQFDNTXROGFIKG-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000569353521 385029725 /nfs/dbraw/zinc/02/97/25/385029725.db2.gz SQFDNTXROGFIKG-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CN(CC(N)=O)c1[nH+]c2ccc(F)cc2n1C ZINC000334143735 385035850 /nfs/dbraw/zinc/03/58/50/385035850.db2.gz ROMLVGHGJJXSTQ-UHFFFAOYSA-N 1 2 236.250 1.684 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176203753 385036192 /nfs/dbraw/zinc/03/61/92/385036192.db2.gz JXKUWYCIKXBPMX-UHFFFAOYSA-N 1 2 246.310 1.706 20 0 BDADLO COc1ccc(NCc2c[nH+]cn2C(C)C)nc1 ZINC000643767635 385036655 /nfs/dbraw/zinc/03/66/55/385036655.db2.gz BMPWOSDIULYTIQ-UHFFFAOYSA-N 1 2 246.314 1.902 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCCOC)s1 ZINC000642727244 385040180 /nfs/dbraw/zinc/04/01/80/385040180.db2.gz WCUDHQUPAHKOQR-UHFFFAOYSA-N 1 2 243.376 1.959 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCCOC)s1 ZINC000642727244 385040188 /nfs/dbraw/zinc/04/01/88/385040188.db2.gz WCUDHQUPAHKOQR-UHFFFAOYSA-N 1 2 243.376 1.959 20 0 BDADLO CO[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000308791314 385108341 /nfs/dbraw/zinc/10/83/41/385108341.db2.gz HKGRPFVLGHYASV-VIFPVBQESA-N 1 2 208.261 1.672 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)c(C)c1 ZINC000279481500 385135381 /nfs/dbraw/zinc/13/53/81/385135381.db2.gz KVTJKNDLGJKXKZ-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO c1[nH+]c2ccccn2c1CN1CCO[C@@H]2C[C@@H]21 ZINC000644717517 385135564 /nfs/dbraw/zinc/13/55/64/385135564.db2.gz XLSQXDVMTPXJME-NWDGAFQWSA-N 1 2 229.283 1.307 20 0 BDADLO Cc1ccc(NC(=O)N2CC[C@@H](CO)C2)c(C)[nH+]1 ZINC000176717048 385140233 /nfs/dbraw/zinc/14/02/33/385140233.db2.gz HPQLCSNXULMYPQ-LLVKDONJSA-N 1 2 249.314 1.545 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCCO)C2CC2)[nH]1 ZINC000644668606 385087777 /nfs/dbraw/zinc/08/77/77/385087777.db2.gz CKJOKOUTQPXBNF-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCCO)C2CC2)[nH]1 ZINC000644668606 385087783 /nfs/dbraw/zinc/08/77/83/385087783.db2.gz CKJOKOUTQPXBNF-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H]1COCC1(C)C ZINC000313000048 385096058 /nfs/dbraw/zinc/09/60/58/385096058.db2.gz WYRFFWHOJUBUQJ-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO CN(CC(C)(C)O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000176468072 385096535 /nfs/dbraw/zinc/09/65/35/385096535.db2.gz ZQEVLAUXSRDOGP-UHFFFAOYSA-N 1 2 247.298 1.177 20 0 BDADLO Cc1nc(N2CCCCC2)nc(N(C)C)[nH+]1 ZINC000359251123 385106720 /nfs/dbraw/zinc/10/67/20/385106720.db2.gz MNCBWPXDUDZFNH-UHFFFAOYSA-N 1 2 221.308 1.236 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCCC2)[nH+]1 ZINC000359251123 385106732 /nfs/dbraw/zinc/10/67/32/385106732.db2.gz MNCBWPXDUDZFNH-UHFFFAOYSA-N 1 2 221.308 1.236 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@](C)(O)c1ccccc1 ZINC000177152253 385190305 /nfs/dbraw/zinc/19/03/05/385190305.db2.gz DLKVZGPCWUIQIR-ZDUSSCGKSA-N 1 2 246.314 1.144 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@](C)(O)c1ccccc1 ZINC000177152253 385190312 /nfs/dbraw/zinc/19/03/12/385190312.db2.gz DLKVZGPCWUIQIR-ZDUSSCGKSA-N 1 2 246.314 1.144 20 0 BDADLO C[C@H]1[C@@H](C(=O)NCCCn2cc[nH+]c2)C1(F)F ZINC000359266411 385143383 /nfs/dbraw/zinc/14/33/83/385143383.db2.gz VGHWRMRAZODCQP-IUCAKERBSA-N 1 2 243.257 1.291 20 0 BDADLO Cc1ccc(NC(=O)N[C@H](C)CCO)c(C)[nH+]1 ZINC000176786680 385147552 /nfs/dbraw/zinc/14/75/52/385147552.db2.gz ZJSNPVAUVDKMIB-SECBINFHSA-N 1 2 237.303 1.591 20 0 BDADLO COC1(C[N@@H+]2CCOCC(F)(F)C2)CCCC1 ZINC000336354549 385150424 /nfs/dbraw/zinc/15/04/24/385150424.db2.gz DQGKJHCLEOFCJJ-UHFFFAOYSA-N 1 2 249.301 1.913 20 0 BDADLO COC1(C[N@H+]2CCOCC(F)(F)C2)CCCC1 ZINC000336354549 385150431 /nfs/dbraw/zinc/15/04/31/385150431.db2.gz DQGKJHCLEOFCJJ-UHFFFAOYSA-N 1 2 249.301 1.913 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000106936747 385153455 /nfs/dbraw/zinc/15/34/55/385153455.db2.gz ADCSERIZKSBHAV-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000106936747 385153460 /nfs/dbraw/zinc/15/34/60/385153460.db2.gz ADCSERIZKSBHAV-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO CC1(O)CC(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000648313643 385171777 /nfs/dbraw/zinc/17/17/77/385171777.db2.gz RTETUTGGBOKURH-UHFFFAOYSA-N 1 2 245.282 1.434 20 0 BDADLO Cc1ccc(NC(=O)N2CCC[C@H]2CO)c(C)[nH+]1 ZINC000152284067 385174547 /nfs/dbraw/zinc/17/45/47/385174547.db2.gz JXAOTQHMNGMWNB-NSHDSACASA-N 1 2 249.314 1.687 20 0 BDADLO CC1(O)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000177072111 385174797 /nfs/dbraw/zinc/17/47/97/385174797.db2.gz BZHBVKFMRFSCSV-UHFFFAOYSA-N 1 2 233.315 1.705 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](CC2CC2)C1 ZINC000359689043 385176539 /nfs/dbraw/zinc/17/65/39/385176539.db2.gz SJOYMLNMGIAPRU-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](CC2CC2)C1 ZINC000359689043 385176544 /nfs/dbraw/zinc/17/65/44/385176544.db2.gz SJOYMLNMGIAPRU-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1[nH]ccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530933256 385178672 /nfs/dbraw/zinc/17/86/72/385178672.db2.gz ZEWNTSPZUZATHC-UHFFFAOYSA-N 1 2 230.271 1.217 20 0 BDADLO Cc1nsc(NCc2c[nH+]cn2C)n1 ZINC000271983155 385209281 /nfs/dbraw/zinc/20/92/81/385209281.db2.gz NTOVLHOFBQPDKX-UHFFFAOYSA-N 1 2 209.278 1.192 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1c[nH+]cn1C ZINC000292115083 385228426 /nfs/dbraw/zinc/22/84/26/385228426.db2.gz WNDHAVANSFUVRY-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnn2C)[C@@H]1C ZINC000130294678 385237289 /nfs/dbraw/zinc/23/72/89/385237289.db2.gz NXHFKSNNLHNRSC-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnn2C)[C@@H]1C ZINC000130294678 385237296 /nfs/dbraw/zinc/23/72/96/385237296.db2.gz NXHFKSNNLHNRSC-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO CCC[C@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000130295002 385238626 /nfs/dbraw/zinc/23/86/26/385238626.db2.gz SAGLUXXDTKHSRL-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177401014 385243842 /nfs/dbraw/zinc/24/38/42/385243842.db2.gz REJNXPANZCMLTM-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177401014 385243848 /nfs/dbraw/zinc/24/38/48/385243848.db2.gz REJNXPANZCMLTM-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO Cn1ccnc1C[NH2+][C@H](CO)c1ccccc1 ZINC000063000465 385202612 /nfs/dbraw/zinc/20/26/12/385202612.db2.gz NTNQNOIYMJIORP-GFCCVEGCSA-N 1 2 231.299 1.243 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000360648619 385304809 /nfs/dbraw/zinc/30/48/09/385304809.db2.gz SBNHJXHTJBWWIS-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2CCOCC(F)F ZINC000364271625 385305660 /nfs/dbraw/zinc/30/56/60/385305660.db2.gz PAHKEUZSXMUHQD-NSHDSACASA-N 1 2 249.257 1.050 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2CCOCC(F)F ZINC000364271625 385305667 /nfs/dbraw/zinc/30/56/67/385305667.db2.gz PAHKEUZSXMUHQD-NSHDSACASA-N 1 2 249.257 1.050 20 0 BDADLO CCC(C)(C)CNC(=O)NCc1c[nH+]cn1C ZINC000292271570 385324165 /nfs/dbraw/zinc/32/41/65/385324165.db2.gz GGLKJWQMXQXLGF-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO Cc1ccc(NC(=O)C(=O)NC(C)C)c(C)[nH+]1 ZINC000154297738 385316256 /nfs/dbraw/zinc/31/62/56/385316256.db2.gz CRMGQYHOOQRRGH-UHFFFAOYSA-N 1 2 235.287 1.162 20 0 BDADLO CC[C@H]([NH2+]CCOC(F)(F)F)C(=O)OC ZINC000308964559 385316598 /nfs/dbraw/zinc/31/65/98/385316598.db2.gz LOIOSPWKAQZRRE-LURJTMIESA-N 1 2 229.198 1.064 20 0 BDADLO O=C(c1cccc(F)n1)N1CC[NH+](C2CC2)CC1 ZINC000131177542 385317226 /nfs/dbraw/zinc/31/72/26/385317226.db2.gz PCZRCVNSPWHGQN-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000131222983 385318427 /nfs/dbraw/zinc/31/84/27/385318427.db2.gz VFQPPSLXTZNARJ-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000131222983 385318432 /nfs/dbraw/zinc/31/84/32/385318432.db2.gz VFQPPSLXTZNARJ-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000358507085 385258928 /nfs/dbraw/zinc/25/89/28/385258928.db2.gz KVKVPFGYWKMSAN-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000358507085 385258935 /nfs/dbraw/zinc/25/89/35/385258935.db2.gz KVKVPFGYWKMSAN-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(C)CCCC1 ZINC000290959898 385264074 /nfs/dbraw/zinc/26/40/74/385264074.db2.gz HPXZRNMONVCVAT-UHFFFAOYSA-N 1 2 236.319 1.552 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1sc(C)nc1C ZINC000191732412 385322362 /nfs/dbraw/zinc/32/23/62/385322362.db2.gz SFBUYKPMOYQECY-UHFFFAOYSA-N 1 2 227.333 1.067 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1sc(C)nc1C ZINC000191732412 385322365 /nfs/dbraw/zinc/32/23/65/385322365.db2.gz SFBUYKPMOYQECY-UHFFFAOYSA-N 1 2 227.333 1.067 20 0 BDADLO C[C@H](CNC(=O)c1ccco1)Cn1cc[nH+]c1 ZINC000153650049 385271213 /nfs/dbraw/zinc/27/12/13/385271213.db2.gz YCEQZNQVIVOCNK-SNVBAGLBSA-N 1 2 233.271 1.542 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CSC[C@H]1C)C1CC1 ZINC000308904544 385276773 /nfs/dbraw/zinc/27/67/73/385276773.db2.gz CDYXTTZWTVURFY-FKTZTGRPSA-N 1 2 229.345 1.279 20 0 BDADLO COC[C@@H](CC(C)C)[NH2+][C@H](C)C(=O)OC ZINC000308922893 385293920 /nfs/dbraw/zinc/29/39/20/385293920.db2.gz HMHSDQVSXJYPNC-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO COC(=O)C1CC[NH+](Cc2cocn2)CC1 ZINC000191919986 385333741 /nfs/dbraw/zinc/33/37/41/385333741.db2.gz GFKXZARWAWEBBX-UHFFFAOYSA-N 1 2 224.260 1.060 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)no1 ZINC000158078985 385335235 /nfs/dbraw/zinc/33/52/35/385335235.db2.gz HIPYBXRBHRNGTA-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCc1ccoc1 ZINC000492253003 385336369 /nfs/dbraw/zinc/33/63/69/385336369.db2.gz PZEBLRFETJZQBS-ARJAWSKDSA-N 1 2 245.282 1.826 20 0 BDADLO CN(C[C@H]1CCOC1)c1nc[nH+]c(N)c1Cl ZINC000273117145 385343897 /nfs/dbraw/zinc/34/38/97/385343897.db2.gz PATKOJXEZZFQAB-SSDOTTSWSA-N 1 2 242.710 1.185 20 0 BDADLO CN(C[C@H]1CCOC1)c1[nH+]cnc(N)c1Cl ZINC000273117145 385343901 /nfs/dbraw/zinc/34/39/01/385343901.db2.gz PATKOJXEZZFQAB-SSDOTTSWSA-N 1 2 242.710 1.185 20 0 BDADLO C[N@H+](Cc1ccccc1Cl)[C@H]1CCNC1=O ZINC000178282802 385350035 /nfs/dbraw/zinc/35/00/35/385350035.db2.gz AZRLNZMVZXUQNE-NSHDSACASA-N 1 2 238.718 1.660 20 0 BDADLO C[N@@H+](Cc1ccccc1Cl)[C@H]1CCNC1=O ZINC000178282802 385350038 /nfs/dbraw/zinc/35/00/38/385350038.db2.gz AZRLNZMVZXUQNE-NSHDSACASA-N 1 2 238.718 1.660 20 0 BDADLO C[N@H+](CC(F)F)C[C@H](O)CC(F)(F)F ZINC000307940868 385351354 /nfs/dbraw/zinc/35/13/54/385351354.db2.gz XOCDWSRZRMRBIM-RXMQYKEDSA-N 1 2 221.169 1.497 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H](O)CC(F)(F)F ZINC000307940868 385351357 /nfs/dbraw/zinc/35/13/57/385351357.db2.gz XOCDWSRZRMRBIM-RXMQYKEDSA-N 1 2 221.169 1.497 20 0 BDADLO Clc1cccc2c1C[N@H+](CCn1cncn1)C2 ZINC000335960293 385365406 /nfs/dbraw/zinc/36/54/06/385365406.db2.gz YVSFQSPQJUMJPA-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cccc2c1C[N@@H+](CCn1cncn1)C2 ZINC000335960293 385365413 /nfs/dbraw/zinc/36/54/13/385365413.db2.gz YVSFQSPQJUMJPA-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccnc1 ZINC000154965047 385366191 /nfs/dbraw/zinc/36/61/91/385366191.db2.gz BYKFELBNRLHXGR-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000309051641 385383499 /nfs/dbraw/zinc/38/34/99/385383499.db2.gz RHZINUIGUVVPAF-XOULXFPDSA-N 1 2 207.277 1.524 20 0 BDADLO CC[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763013 385426600 /nfs/dbraw/zinc/42/66/00/385426600.db2.gz IQFXKPYMAJGYBH-ISALQUGTSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnn(C)c2)[C@H]1C ZINC000178587392 385394305 /nfs/dbraw/zinc/39/43/05/385394305.db2.gz SQGBRFWOPSUKPU-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnn(C)c2)[C@H]1C ZINC000178587392 385394310 /nfs/dbraw/zinc/39/43/10/385394310.db2.gz SQGBRFWOPSUKPU-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000309059270 385395482 /nfs/dbraw/zinc/39/54/82/385395482.db2.gz NDENMQLOVPKZKM-RKDXNWHRSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000309059270 385395487 /nfs/dbraw/zinc/39/54/87/385395487.db2.gz NDENMQLOVPKZKM-RKDXNWHRSA-N 1 2 225.292 1.148 20 0 BDADLO COC[C@H](C)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309096390 385407014 /nfs/dbraw/zinc/40/70/14/385407014.db2.gz FAKVRAIVBTULAD-WPRPVWTQSA-N 1 2 209.293 1.412 20 0 BDADLO c1csc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193739528 385411233 /nfs/dbraw/zinc/41/12/33/385411233.db2.gz NPXOZSIWSBQJOZ-LBPRGKRZSA-N 1 2 239.340 1.739 20 0 BDADLO c1csc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193739528 385411236 /nfs/dbraw/zinc/41/12/36/385411236.db2.gz NPXOZSIWSBQJOZ-LBPRGKRZSA-N 1 2 239.340 1.739 20 0 BDADLO O=C1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CCN1 ZINC000178883072 385422515 /nfs/dbraw/zinc/42/25/15/385422515.db2.gz RGOSYSZZJBILMA-ZDUSSCGKSA-N 1 2 248.301 1.635 20 0 BDADLO O=C1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CCN1 ZINC000178883072 385422518 /nfs/dbraw/zinc/42/25/18/385422518.db2.gz RGOSYSZZJBILMA-ZDUSSCGKSA-N 1 2 248.301 1.635 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000449034308 385440476 /nfs/dbraw/zinc/44/04/76/385440476.db2.gz ITXJCIGONYAFIU-QWRGUYRKSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000449034308 385440480 /nfs/dbraw/zinc/44/04/80/385440480.db2.gz ITXJCIGONYAFIU-QWRGUYRKSA-N 1 2 238.335 1.216 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)C(=O)OC)[C@@H]1CCCO1 ZINC000182361351 385441674 /nfs/dbraw/zinc/44/16/74/385441674.db2.gz GPRKURVCXBXOPO-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C2CC2)C2CC2)[nH+]1 ZINC000636257658 385456709 /nfs/dbraw/zinc/45/67/09/385456709.db2.gz AVANAMOIHFEBSZ-UHFFFAOYSA-N 1 2 233.315 1.668 20 0 BDADLO CCC[C@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000309191151 385457171 /nfs/dbraw/zinc/45/71/71/385457171.db2.gz PQKSGMGVVZXNJH-RTBKNWGFSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000194425467 385434137 /nfs/dbraw/zinc/43/41/37/385434137.db2.gz SZVDPPVGLIVKFJ-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO CC[C@@H]([NH2+]Cc1noc(C)n1)[C@@H]1CCCO1 ZINC000182272804 385436203 /nfs/dbraw/zinc/43/62/03/385436203.db2.gz SGXOAHIERYALLF-ZJUUUORDSA-N 1 2 225.292 1.425 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000179393644 385464885 /nfs/dbraw/zinc/46/48/85/385464885.db2.gz SGCJHQFSJNXDNL-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000179393644 385464889 /nfs/dbraw/zinc/46/48/89/385464889.db2.gz SGCJHQFSJNXDNL-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO O=C1C[N@H+](Cc2cc3ccccc3s2)CCN1 ZINC000179592717 385475278 /nfs/dbraw/zinc/47/52/78/385475278.db2.gz TXPHNXYRZSOBQK-UHFFFAOYSA-N 1 2 246.335 1.833 20 0 BDADLO O=C1C[N@@H+](Cc2cc3ccccc3s2)CCN1 ZINC000179592717 385475284 /nfs/dbraw/zinc/47/52/84/385475284.db2.gz TXPHNXYRZSOBQK-UHFFFAOYSA-N 1 2 246.335 1.833 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000364642065 385482521 /nfs/dbraw/zinc/48/25/21/385482521.db2.gz ZNABMSCAHGVUSN-ONGXEEELSA-N 1 2 236.271 1.120 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000364642065 385482524 /nfs/dbraw/zinc/48/25/24/385482524.db2.gz ZNABMSCAHGVUSN-ONGXEEELSA-N 1 2 236.271 1.120 20 0 BDADLO Cn1ncnc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179691157 385484395 /nfs/dbraw/zinc/48/43/95/385484395.db2.gz KBFZPYCEXNHDMP-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC(C)(C)C ZINC000449059048 385484613 /nfs/dbraw/zinc/48/46/13/385484613.db2.gz OGVZNVBIFHGYHY-VPOLOUISSA-N 1 2 243.347 1.872 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@@](C)(O)C1 ZINC000179312703 385459196 /nfs/dbraw/zinc/45/91/96/385459196.db2.gz XRJSEWQLHICXTQ-CYBMUJFWSA-N 1 2 231.299 1.534 20 0 BDADLO CO[C@@H](C)C[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195127410 385460340 /nfs/dbraw/zinc/46/03/40/385460340.db2.gz OURPNMODTIIRBC-JQWIXIFHSA-N 1 2 246.314 1.519 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1CCOCC1 ZINC000179868689 385495234 /nfs/dbraw/zinc/49/52/34/385495234.db2.gz TUIINJGJKFEVPQ-UHFFFAOYSA-N 1 2 249.314 1.938 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000179866114 385495501 /nfs/dbraw/zinc/49/55/01/385495501.db2.gz QRWFNQDWWJUGQD-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000179866114 385495504 /nfs/dbraw/zinc/49/55/04/385495504.db2.gz QRWFNQDWWJUGQD-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000179866129 385495823 /nfs/dbraw/zinc/49/58/23/385495823.db2.gz QRWFNQDWWJUGQD-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000179866129 385495827 /nfs/dbraw/zinc/49/58/27/385495827.db2.gz QRWFNQDWWJUGQD-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000157418112 385499812 /nfs/dbraw/zinc/49/98/12/385499812.db2.gz FWDGCLGAEUFEHD-NXEZZACHSA-N 1 2 239.290 1.908 20 0 BDADLO O=C(COCC1CC1)Nc1cc[nH+]cc1O ZINC000109889344 385489886 /nfs/dbraw/zinc/48/98/86/385489886.db2.gz VLTQRWMZTXZQQJ-UHFFFAOYSA-N 1 2 222.244 1.152 20 0 BDADLO CCCCC[S@](=O)Cc1[nH+]ccn1C ZINC000180549638 385529161 /nfs/dbraw/zinc/52/91/61/385529161.db2.gz IEKQYMJDPYMDRE-AWEZNQCLSA-N 1 2 214.334 1.859 20 0 BDADLO C[C@@H](O)CN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000364864620 385533184 /nfs/dbraw/zinc/53/31/84/385533184.db2.gz PHUSURGAONURFF-SNVBAGLBSA-N 1 2 232.287 1.084 20 0 BDADLO Cc1cc(N[C@@H](C(C)C)C(C)(C)O)nc[nH+]1 ZINC000309340311 385540009 /nfs/dbraw/zinc/54/00/09/385540009.db2.gz KCBVQKMDZKGCOY-NSHDSACASA-N 1 2 223.320 1.992 20 0 BDADLO COC[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493662207 533126652 /nfs/dbraw/zinc/12/66/52/533126652.db2.gz YMECFNWOKQDSMP-FOQNGQEVSA-N 1 2 249.314 1.450 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361042360 385519699 /nfs/dbraw/zinc/51/96/99/385519699.db2.gz ABLCVBYPMBBBFH-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361042360 385519700 /nfs/dbraw/zinc/51/97/00/385519700.db2.gz ABLCVBYPMBBBFH-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361042360 385519703 /nfs/dbraw/zinc/51/97/03/385519703.db2.gz ABLCVBYPMBBBFH-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361042360 385519705 /nfs/dbraw/zinc/51/97/05/385519705.db2.gz ABLCVBYPMBBBFH-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000157800780 385521847 /nfs/dbraw/zinc/52/18/47/385521847.db2.gz MRVNNIADRLGSCO-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000157800780 385521850 /nfs/dbraw/zinc/52/18/50/385521850.db2.gz MRVNNIADRLGSCO-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO Cc1cnc(C[N@H+](CCO)C2CC2)s1 ZINC000180432799 385523670 /nfs/dbraw/zinc/52/36/70/385523670.db2.gz PWUJTHNGJOOQCO-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1cnc(C[N@@H+](CCO)C2CC2)s1 ZINC000180432799 385523675 /nfs/dbraw/zinc/52/36/75/385523675.db2.gz PWUJTHNGJOOQCO-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO FC(F)(F)COCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364828808 385524006 /nfs/dbraw/zinc/52/40/06/385524006.db2.gz LECMGNXODVPRLV-DTORHVGOSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)COCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364828808 385524009 /nfs/dbraw/zinc/52/40/09/385524009.db2.gz LECMGNXODVPRLV-DTORHVGOSA-N 1 2 239.237 1.429 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cncnc1C ZINC000107285254 385563105 /nfs/dbraw/zinc/56/31/05/385563105.db2.gz XWCMJUBINIHFQF-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](C)O)CCC(C)CC1 ZINC000309409038 385573055 /nfs/dbraw/zinc/57/30/55/385573055.db2.gz BKIMYQKVCYZFOW-SQLBVSGCSA-N 1 2 229.320 1.079 20 0 BDADLO FC[C@H]1C[N@H+](Cc2cscn2)CCCO1 ZINC000334646822 385593527 /nfs/dbraw/zinc/59/35/27/385593527.db2.gz OIGHDSXWMYMESD-JTQLQIEISA-N 1 2 230.308 1.704 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2cscn2)CCCO1 ZINC000334646822 385593530 /nfs/dbraw/zinc/59/35/30/385593530.db2.gz OIGHDSXWMYMESD-JTQLQIEISA-N 1 2 230.308 1.704 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCCn1cccn1 ZINC000337316577 385595491 /nfs/dbraw/zinc/59/54/91/385595491.db2.gz DKVQPRYQBIQNEJ-UHFFFAOYSA-N 1 2 244.298 1.427 20 0 BDADLO Cc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)ncn1 ZINC000408171949 385603416 /nfs/dbraw/zinc/60/34/16/385603416.db2.gz PVYHUFIUPBXBCF-JTQLQIEISA-N 1 2 229.287 1.850 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC1(C)C ZINC000643178728 385588162 /nfs/dbraw/zinc/58/81/62/385588162.db2.gz UKEGIVBZWSVKEY-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO C[C@@H](CO)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000335400797 385591082 /nfs/dbraw/zinc/59/10/82/385591082.db2.gz YPXMWZRXZGZFHD-QMMMGPOBSA-N 1 2 237.278 1.529 20 0 BDADLO O=C1C[N@H+](CCSC2CCCCC2)CCN1 ZINC000337306439 385591261 /nfs/dbraw/zinc/59/12/61/385591261.db2.gz VJERBOHXWVEGQL-UHFFFAOYSA-N 1 2 242.388 1.484 20 0 BDADLO O=C1C[N@@H+](CCSC2CCCCC2)CCN1 ZINC000337306439 385591267 /nfs/dbraw/zinc/59/12/67/385591267.db2.gz VJERBOHXWVEGQL-UHFFFAOYSA-N 1 2 242.388 1.484 20 0 BDADLO COC[C@H]([NH2+]C[C@H](C)CC(C)C)C(=O)OC ZINC000309461086 385591841 /nfs/dbraw/zinc/59/18/41/385591841.db2.gz NWBRETGEMPBFDW-MNOVXSKESA-N 1 2 231.336 1.446 20 0 BDADLO CN(C)c1ccc(CNC(=O)[C@H]2CC2(C)C)c[nH+]1 ZINC000269673087 385624590 /nfs/dbraw/zinc/62/45/90/385624590.db2.gz BVVYOIAYKTWTNP-LLVKDONJSA-N 1 2 247.342 1.810 20 0 BDADLO CCCCNc1cc(N[C@@H](C)CO)nc(N)[nH+]1 ZINC000281036555 385630226 /nfs/dbraw/zinc/63/02/26/385630226.db2.gz VBBBFYGQPBAIDX-QMMMGPOBSA-N 1 2 239.323 1.064 20 0 BDADLO CCCCNc1cc(N[C@@H](C)CO)[nH+]c(N)n1 ZINC000281036555 385630231 /nfs/dbraw/zinc/63/02/31/385630231.db2.gz VBBBFYGQPBAIDX-QMMMGPOBSA-N 1 2 239.323 1.064 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cscn1 ZINC000182085829 385633317 /nfs/dbraw/zinc/63/33/17/385633317.db2.gz BUTNUUHZNVBUCD-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cscn1 ZINC000182085829 385633323 /nfs/dbraw/zinc/63/33/23/385633323.db2.gz BUTNUUHZNVBUCD-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CC=CCC1 ZINC000280862565 385613434 /nfs/dbraw/zinc/61/34/34/385613434.db2.gz XEDLFEUEEWEOAR-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO Cc1c(Cl)cnn1Cc1c[nH+]cn1C ZINC000269873977 385642081 /nfs/dbraw/zinc/64/20/81/385642081.db2.gz OIDPMZDNLPMPLV-UHFFFAOYSA-N 1 2 210.668 1.627 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]cc2O)c(C)s1 ZINC000337390964 385642743 /nfs/dbraw/zinc/64/27/43/385642743.db2.gz GUCJSVDSVQMHOW-UHFFFAOYSA-N 1 2 249.295 1.535 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000336682358 385643858 /nfs/dbraw/zinc/64/38/58/385643858.db2.gz CBZGPEDHNMIDDC-UHFFFAOYSA-N 1 2 234.307 1.180 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000281223305 385648013 /nfs/dbraw/zinc/64/80/13/385648013.db2.gz KMADSJDYCADIBA-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc[nH]n1 ZINC000281223305 385648020 /nfs/dbraw/zinc/64/80/20/385648020.db2.gz KMADSJDYCADIBA-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2CSC[C@@H]2C)no1 ZINC000309521730 385659474 /nfs/dbraw/zinc/65/94/74/385659474.db2.gz AOYHVSHNYUBCJU-IUCAKERBSA-N 1 2 241.360 1.863 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cncc(F)c1 ZINC000353338838 385660165 /nfs/dbraw/zinc/66/01/65/385660165.db2.gz UXFVKDPUVBMLEX-BDAKNGLRSA-N 1 2 249.293 1.761 20 0 BDADLO O=C(CCCC1CC1)Nc1cc[nH+]cc1O ZINC000643202170 385674119 /nfs/dbraw/zinc/67/41/19/385674119.db2.gz UNMDYUDSKPIYCK-UHFFFAOYSA-N 1 2 220.272 1.728 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000281509163 385676566 /nfs/dbraw/zinc/67/65/66/385676566.db2.gz HOVURPPKVGUESC-YPMHNXCESA-N 1 2 249.358 2.000 20 0 BDADLO CCN(CCCO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000270189246 385683425 /nfs/dbraw/zinc/68/34/25/385683425.db2.gz NFKVCRSELDYSBV-UHFFFAOYSA-N 1 2 247.298 1.179 20 0 BDADLO CO[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000270243140 385689146 /nfs/dbraw/zinc/68/91/46/385689146.db2.gz RPXAHWAVXQHKRE-NSHDSACASA-N 1 2 248.330 1.524 20 0 BDADLO CO[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000270243140 385689154 /nfs/dbraw/zinc/68/91/54/385689154.db2.gz RPXAHWAVXQHKRE-NSHDSACASA-N 1 2 248.330 1.524 20 0 BDADLO CO[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000340031401 385689891 /nfs/dbraw/zinc/68/98/91/385689891.db2.gz RPXAHWAVXQHKRE-LLVKDONJSA-N 1 2 248.330 1.524 20 0 BDADLO CO[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000340031401 385689898 /nfs/dbraw/zinc/68/98/98/385689898.db2.gz RPXAHWAVXQHKRE-LLVKDONJSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1NC(=O)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000281657104 385690943 /nfs/dbraw/zinc/69/09/43/385690943.db2.gz OFHSHAMJJTZNIZ-WPRPVWTQSA-N 1 2 246.314 1.433 20 0 BDADLO C[N@H+](CCCO)Cc1nncn1-c1ccccc1 ZINC000281825140 385705153 /nfs/dbraw/zinc/70/51/53/385705153.db2.gz LXNBFVGCWLBXSK-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO C[N@@H+](CCCO)Cc1nncn1-c1ccccc1 ZINC000281825140 385705156 /nfs/dbraw/zinc/70/51/56/385705156.db2.gz LXNBFVGCWLBXSK-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CC[N@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000270465586 385709980 /nfs/dbraw/zinc/70/99/80/385709980.db2.gz AVALXBXCXFADDW-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO CC[N@@H+](CCO)Cc1ncc(C2CC2)o1 ZINC000270465586 385709988 /nfs/dbraw/zinc/70/99/88/385709988.db2.gz AVALXBXCXFADDW-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000408375439 385742811 /nfs/dbraw/zinc/74/28/11/385742811.db2.gz OQWJSRSLCOGSRB-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000408375439 385742814 /nfs/dbraw/zinc/74/28/14/385742814.db2.gz OQWJSRSLCOGSRB-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO Cn1ccc(C[NH2+][C@H](CO)c2ccsc2)n1 ZINC000336696774 385745965 /nfs/dbraw/zinc/74/59/65/385745965.db2.gz MAJHXPPBDPLAHM-LLVKDONJSA-N 1 2 237.328 1.305 20 0 BDADLO C[C@@H](CO)N(C)c1cc[nH+]c2ccncc21 ZINC000282407230 385758546 /nfs/dbraw/zinc/75/85/46/385758546.db2.gz APKXBSPJYNPKCX-VIFPVBQESA-N 1 2 217.272 1.447 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC[C@@H](C)O ZINC000270992445 385767468 /nfs/dbraw/zinc/76/74/68/385767468.db2.gz BYQBFQHUYBXIFN-SECBINFHSA-N 1 2 223.276 1.282 20 0 BDADLO Cn1c[nH+]cc1CNc1ncnn1C(C)(C)C ZINC000282523526 385769257 /nfs/dbraw/zinc/76/92/57/385769257.db2.gz GRYJCOKSTXTOIP-UHFFFAOYSA-N 1 2 234.307 1.379 20 0 BDADLO Cc1nonc1C[N@H+](C)CCc1ccccn1 ZINC000271037970 385775767 /nfs/dbraw/zinc/77/57/67/385775767.db2.gz RZIRWQSSLSKMDH-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nonc1C[N@@H+](C)CCc1ccccn1 ZINC000271037970 385775770 /nfs/dbraw/zinc/77/57/70/385775770.db2.gz RZIRWQSSLSKMDH-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1ccccc1F ZINC000258847303 385779144 /nfs/dbraw/zinc/77/91/44/385779144.db2.gz RMAHFNYIQKBSQT-UHFFFAOYSA-N 1 2 239.290 1.909 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000271110961 385788096 /nfs/dbraw/zinc/78/80/96/385788096.db2.gz DLWIHNMZWGEHTE-WDEREUQCSA-N 1 2 224.329 1.896 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000271110961 385788100 /nfs/dbraw/zinc/78/81/00/385788100.db2.gz DLWIHNMZWGEHTE-WDEREUQCSA-N 1 2 224.329 1.896 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ncn(C)n1 ZINC000309591732 385720705 /nfs/dbraw/zinc/72/07/05/385720705.db2.gz VAPNTJRWTKMBPX-ZJUUUORDSA-N 1 2 224.308 1.035 20 0 BDADLO C[N@H+](Cc1cn(Cc2cccnc2)nn1)C1CC1 ZINC000182990423 385726490 /nfs/dbraw/zinc/72/64/90/385726490.db2.gz NZGVFZHLWAMMJG-UHFFFAOYSA-N 1 2 243.314 1.316 20 0 BDADLO C[N@@H+](Cc1cn(Cc2cccnc2)nn1)C1CC1 ZINC000182990423 385726496 /nfs/dbraw/zinc/72/64/96/385726496.db2.gz NZGVFZHLWAMMJG-UHFFFAOYSA-N 1 2 243.314 1.316 20 0 BDADLO COC(=O)[C@H](C)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602634664 385811904 /nfs/dbraw/zinc/81/19/04/385811904.db2.gz NLRZVBIPXSZQGB-WCBMZHEXSA-N 1 2 237.303 1.022 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC12CCC2 ZINC000337868577 385811948 /nfs/dbraw/zinc/81/19/48/385811948.db2.gz MCSGXVRHELZTET-UHFFFAOYSA-N 1 2 229.287 1.496 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](O)CC1 ZINC000294144759 385812488 /nfs/dbraw/zinc/81/24/88/385812488.db2.gz UZOITPLBHJTCHE-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccon1 ZINC000337858049 385816366 /nfs/dbraw/zinc/81/63/66/385816366.db2.gz HVFHYDKMXIGCRV-ZETCQYMHSA-N 1 2 244.258 1.524 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CCC2)C1 ZINC000283572698 385822739 /nfs/dbraw/zinc/82/27/39/385822739.db2.gz WKZYOECRSSFWNQ-UHFFFAOYSA-N 1 2 233.315 1.663 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCOC2)s1 ZINC000271382725 385822978 /nfs/dbraw/zinc/82/29/78/385822978.db2.gz PJAMXVKWTDAZRS-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H]2CCOC2)s1 ZINC000271382725 385822979 /nfs/dbraw/zinc/82/29/79/385822979.db2.gz PJAMXVKWTDAZRS-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(OC)nn2)CCO1 ZINC000283627868 385823916 /nfs/dbraw/zinc/82/39/16/385823916.db2.gz RYYLWQDUZOOGGS-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(OC)nn2)CCO1 ZINC000283627868 385823921 /nfs/dbraw/zinc/82/39/21/385823921.db2.gz RYYLWQDUZOOGGS-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO CCN(C)C(=O)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000231867847 385826021 /nfs/dbraw/zinc/82/60/21/385826021.db2.gz DUXPZEOHKGAING-QMMMGPOBSA-N 1 2 222.292 1.064 20 0 BDADLO CC(C)CC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000284252842 385858185 /nfs/dbraw/zinc/85/81/85/385858185.db2.gz VTYZSDJQBILGCG-GFCCVEGCSA-N 1 2 245.330 1.925 20 0 BDADLO CCC[C@@H](C[N@H+]1CCc2cn[nH]c2C1)OC ZINC000638109720 385843769 /nfs/dbraw/zinc/84/37/69/385843769.db2.gz XTBFURQRSISFIB-NSHDSACASA-N 1 2 223.320 1.583 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000112686460 385843952 /nfs/dbraw/zinc/84/39/52/385843952.db2.gz VMETUQQHWNMZSN-GFCCVEGCSA-N 1 2 234.299 1.346 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000112686460 385843958 /nfs/dbraw/zinc/84/39/58/385843958.db2.gz VMETUQQHWNMZSN-GFCCVEGCSA-N 1 2 234.299 1.346 20 0 BDADLO C[C@@H](O)CNc1cc(N(C)CC2CC2)nc[nH+]1 ZINC000294387730 385845020 /nfs/dbraw/zinc/84/50/20/385845020.db2.gz MMKITXUDKVVFRQ-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](O)CNc1cc(N(C)CC2CC2)[nH+]cn1 ZINC000294387730 385845023 /nfs/dbraw/zinc/84/50/23/385845023.db2.gz MMKITXUDKVVFRQ-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO CCCn1ncnc1C[N@H+](CCO)[C@H](C)CC ZINC000336718768 385846302 /nfs/dbraw/zinc/84/63/02/385846302.db2.gz VHPKMBBSHXYNJL-LLVKDONJSA-N 1 2 240.351 1.281 20 0 BDADLO CCCn1ncnc1C[N@@H+](CCO)[C@H](C)CC ZINC000336718768 385846309 /nfs/dbraw/zinc/84/63/09/385846309.db2.gz VHPKMBBSHXYNJL-LLVKDONJSA-N 1 2 240.351 1.281 20 0 BDADLO CCCCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294404557 385847219 /nfs/dbraw/zinc/84/72/19/385847219.db2.gz NOQPPEXMTMZQQV-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCCCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294404557 385847222 /nfs/dbraw/zinc/84/72/22/385847222.db2.gz NOQPPEXMTMZQQV-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cc[nH]c1C1CC1 ZINC000284066654 385849472 /nfs/dbraw/zinc/84/94/72/385849472.db2.gz RPBUCYQTMJMIKE-UHFFFAOYSA-N 1 2 244.298 1.556 20 0 BDADLO COC(=O)C1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000284112500 385851019 /nfs/dbraw/zinc/85/10/19/385851019.db2.gz OXATWGGUFUFGOK-UHFFFAOYSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000284112500 385851024 /nfs/dbraw/zinc/85/10/24/385851024.db2.gz OXATWGGUFUFGOK-UHFFFAOYSA-N 1 2 237.303 1.103 20 0 BDADLO CO[C@@H](C)CCNC(=O)Nc1cc[nH+]cc1C ZINC000271142684 385791640 /nfs/dbraw/zinc/79/16/40/385791640.db2.gz QOFAZCTVMIXYSY-JTQLQIEISA-N 1 2 237.303 1.937 20 0 BDADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cocn1 ZINC000336709202 385794325 /nfs/dbraw/zinc/79/43/25/385794325.db2.gz RDKGMZSWOBCLMC-SNVBAGLBSA-N 1 2 238.312 1.868 20 0 BDADLO CC(C)CCCC(=O)NCc1[nH]cc[nH+]1 ZINC000294696134 385884376 /nfs/dbraw/zinc/88/43/76/385884376.db2.gz SSJVXXSWPKFHSI-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO COCc1noc(Cc2ccc[nH+]c2C)n1 ZINC000285450590 385928614 /nfs/dbraw/zinc/92/86/14/385928614.db2.gz QBHSISSIHWIWGQ-UHFFFAOYSA-N 1 2 219.244 1.510 20 0 BDADLO COC[C@@H](CO)[NH+]=c1cc[nH]c2ccsc21 ZINC000336720950 385888753 /nfs/dbraw/zinc/88/87/53/385888753.db2.gz ZKNHSHSACPOXNH-MRVPVSSYSA-N 1 2 238.312 1.137 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000284870043 385889141 /nfs/dbraw/zinc/88/91/41/385889141.db2.gz SMWGFVMAAVXBBG-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000284870043 385889144 /nfs/dbraw/zinc/88/91/44/385889144.db2.gz SMWGFVMAAVXBBG-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccccc3F)[C@@H]12 ZINC000366639852 385893649 /nfs/dbraw/zinc/89/36/49/385893649.db2.gz JCWJMCOVBFSVHH-GXFFZTMASA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccccc3F)[C@@H]12 ZINC000366639852 385893654 /nfs/dbraw/zinc/89/36/54/385893654.db2.gz JCWJMCOVBFSVHH-GXFFZTMASA-N 1 2 249.285 1.963 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000122198322 385893918 /nfs/dbraw/zinc/89/39/18/385893918.db2.gz XXJPNZOPYKFDBR-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)nc1 ZINC000122198322 385893921 /nfs/dbraw/zinc/89/39/21/385893921.db2.gz XXJPNZOPYKFDBR-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCOC(F)F ZINC000338086262 385894640 /nfs/dbraw/zinc/89/46/40/385894640.db2.gz NNQTYTBYOFNHTD-UHFFFAOYSA-N 1 2 247.245 1.019 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1conc1C ZINC000294830527 385901789 /nfs/dbraw/zinc/90/17/89/385901789.db2.gz HAMGCTZOTGSVBJ-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1conc1C ZINC000294830527 385901792 /nfs/dbraw/zinc/90/17/92/385901792.db2.gz HAMGCTZOTGSVBJ-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000294886507 385908662 /nfs/dbraw/zinc/90/86/62/385908662.db2.gz FZPZLQTUYSSSJT-ZDUSSCGKSA-N 1 2 242.326 1.869 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000294886507 385908664 /nfs/dbraw/zinc/90/86/64/385908664.db2.gz FZPZLQTUYSSSJT-ZDUSSCGKSA-N 1 2 242.326 1.869 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@](C)(O)C2)no1 ZINC000123892146 385921249 /nfs/dbraw/zinc/92/12/49/385921249.db2.gz ILFFQLIURBLQEV-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@](C)(O)C2)no1 ZINC000123892146 385921252 /nfs/dbraw/zinc/92/12/52/385921252.db2.gz ILFFQLIURBLQEV-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO Cn1c[nH+]cc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000285396589 385921508 /nfs/dbraw/zinc/92/15/08/385921508.db2.gz OJDDTBFHKOLWOF-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOCC(F)F ZINC000189086675 385925088 /nfs/dbraw/zinc/92/50/88/385925088.db2.gz PPXXVWYQUNQMOD-UHFFFAOYSA-N 1 2 239.262 1.199 20 0 BDADLO O=C(CCc1cncs1)NCc1[nH]cc[nH+]1 ZINC000340190501 385862212 /nfs/dbraw/zinc/86/22/12/385862212.db2.gz AHYXVHGHDYKCFZ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCO ZINC000284328003 385862289 /nfs/dbraw/zinc/86/22/89/385862289.db2.gz QDFVVYJJZNCSDV-QMMMGPOBSA-N 1 2 214.696 1.510 20 0 BDADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCO ZINC000284328003 385862292 /nfs/dbraw/zinc/86/22/92/385862292.db2.gz QDFVVYJJZNCSDV-QMMMGPOBSA-N 1 2 214.696 1.510 20 0 BDADLO C[C@@H](F)CC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340472155 385866759 /nfs/dbraw/zinc/86/67/59/385866759.db2.gz ZSSHPEIGWGLFOY-MWLCHTKSSA-N 1 2 249.293 1.627 20 0 BDADLO CCc1noc(C)c1CN1CCn2c[nH+]cc2C1 ZINC000647940674 385879487 /nfs/dbraw/zinc/87/94/87/385879487.db2.gz QMXLWEGNIHGLMS-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)o1 ZINC000189302146 385976144 /nfs/dbraw/zinc/97/61/44/385976144.db2.gz PBEREUYMZGZCTM-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)o1 ZINC000189302146 385976151 /nfs/dbraw/zinc/97/61/51/385976151.db2.gz PBEREUYMZGZCTM-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000295151296 385979326 /nfs/dbraw/zinc/97/93/26/385979326.db2.gz JPWKGNAIWWSLGT-SSDOTTSWSA-N 1 2 245.286 1.037 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CC[C@H](F)C1 ZINC000345084208 385991728 /nfs/dbraw/zinc/99/17/28/385991728.db2.gz VSOLLORZQKRDML-UWVGGRQHSA-N 1 2 240.282 1.073 20 0 BDADLO C[N@H+](Cc1csc(C2CC2)n1)C1(CO)CC1 ZINC000285539549 385939683 /nfs/dbraw/zinc/93/96/83/385939683.db2.gz PTOPGEOIBFUTMQ-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO C[N@@H+](Cc1csc(C2CC2)n1)C1(CO)CC1 ZINC000285539549 385939691 /nfs/dbraw/zinc/93/96/91/385939691.db2.gz PTOPGEOIBFUTMQ-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285535444 385941200 /nfs/dbraw/zinc/94/12/00/385941200.db2.gz HQXCVTMALMQOPQ-JTQLQIEISA-N 1 2 249.314 1.071 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285535444 385941206 /nfs/dbraw/zinc/94/12/06/385941206.db2.gz HQXCVTMALMQOPQ-JTQLQIEISA-N 1 2 249.314 1.071 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CC1(F)F)Cn1cc[nH+]c1 ZINC000295028907 385947966 /nfs/dbraw/zinc/94/79/66/385947966.db2.gz RHHMTPWQQYZTFF-RKDXNWHRSA-N 1 2 243.257 1.291 20 0 BDADLO CSc1ccccc1C[N@H+](C)CC(N)=O ZINC000272935478 385952012 /nfs/dbraw/zinc/95/20/12/385952012.db2.gz RDHLJWAOHUAFJL-UHFFFAOYSA-N 1 2 224.329 1.326 20 0 BDADLO CSc1ccccc1C[N@@H+](C)CC(N)=O ZINC000272935478 385952019 /nfs/dbraw/zinc/95/20/19/385952019.db2.gz RDHLJWAOHUAFJL-UHFFFAOYSA-N 1 2 224.329 1.326 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCO[C@@H]2C)c[nH+]1 ZINC000335059112 385961981 /nfs/dbraw/zinc/96/19/81/385961981.db2.gz PJERSAZLLXXWIH-DGCLKSJQSA-N 1 2 248.326 1.740 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000335015486 385970639 /nfs/dbraw/zinc/97/06/39/385970639.db2.gz GAUFSWVWPZWAOR-OLZOCXBDSA-N 1 2 235.327 1.775 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000335015486 385970645 /nfs/dbraw/zinc/97/06/45/385970645.db2.gz GAUFSWVWPZWAOR-OLZOCXBDSA-N 1 2 235.327 1.775 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000338345583 385973572 /nfs/dbraw/zinc/97/35/72/385973572.db2.gz AOPBMEBAJDYJBT-IONNQARKSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000338345583 385973576 /nfs/dbraw/zinc/97/35/76/385973576.db2.gz AOPBMEBAJDYJBT-IONNQARKSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1cc(CNC(=O)c2cn(C)cn2)cc(C)[nH+]1 ZINC000335066252 386003761 /nfs/dbraw/zinc/00/37/61/386003761.db2.gz BGASWHUGBRLRJS-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@@H](O)C(F)(F)F ZINC000345191116 386056253 /nfs/dbraw/zinc/05/62/53/386056253.db2.gz ORLHYYFVEDVOEF-IONNQARKSA-N 1 2 249.236 1.899 20 0 BDADLO CO[C@@H]1[C@H]2C[C@H]3CN(c4cc[nH+]c(C)n4)[C@H]1[C@H]3C2 ZINC000286272600 386016847 /nfs/dbraw/zinc/01/68/47/386016847.db2.gz HLIJBFFUYPSRKC-NARNDRFESA-N 1 2 245.326 1.645 20 0 BDADLO C[N@H+](Cc1c(F)ccc(O)c1F)[C@H]1CCOC1 ZINC000295358829 386017396 /nfs/dbraw/zinc/01/73/96/386017396.db2.gz NPZMAJGJASOHHG-QMMMGPOBSA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1c(F)ccc(O)c1F)[C@H]1CCOC1 ZINC000295358829 386017402 /nfs/dbraw/zinc/01/74/02/386017402.db2.gz NPZMAJGJASOHHG-QMMMGPOBSA-N 1 2 243.253 1.891 20 0 BDADLO Cc1cc(CNC(=O)C2(C)COC2)cc(C)[nH+]1 ZINC000335072424 386017675 /nfs/dbraw/zinc/01/76/75/386017675.db2.gz FMGKEIALOPOCKU-UHFFFAOYSA-N 1 2 234.299 1.351 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC1(F)F ZINC000643271818 386020246 /nfs/dbraw/zinc/02/02/46/386020246.db2.gz PDZYEMGLEPAGGM-MRVPVSSYSA-N 1 2 229.230 1.187 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)o1 ZINC000295387236 386022825 /nfs/dbraw/zinc/02/28/25/386022825.db2.gz QNRMHXALCVWMLF-GHMZBOCLSA-N 1 2 249.314 1.651 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)o1 ZINC000295387236 386022830 /nfs/dbraw/zinc/02/28/30/386022830.db2.gz QNRMHXALCVWMLF-GHMZBOCLSA-N 1 2 249.314 1.651 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc2c1OCO2 ZINC000353571758 386023926 /nfs/dbraw/zinc/02/39/26/386023926.db2.gz IKTDSNVEDQNCFI-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc2c1OCO2 ZINC000353571758 386023928 /nfs/dbraw/zinc/02/39/28/386023928.db2.gz IKTDSNVEDQNCFI-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO Cc1nnc(N[C@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000286335444 386027360 /nfs/dbraw/zinc/02/73/60/386027360.db2.gz VQWAXTHCXBBJRI-JTQLQIEISA-N 1 2 245.286 1.464 20 0 BDADLO FC(F)c1noc(Cn2cc[nH+]c2)n1 ZINC000425428707 386031328 /nfs/dbraw/zinc/03/13/28/386031328.db2.gz WWUIUIRAUNSCCE-UHFFFAOYSA-N 1 2 200.148 1.252 20 0 BDADLO C[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)C[C@@H]1F ZINC000335063729 386032646 /nfs/dbraw/zinc/03/26/46/386032646.db2.gz VTCFHLSULKTMSP-GWCFXTLKSA-N 1 2 247.273 1.699 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@@H](C)C2 ZINC000414195760 386032810 /nfs/dbraw/zinc/03/28/10/386032810.db2.gz ZCOLXRSQXXSHFW-NTZNESFSSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@@H](C)C2 ZINC000414195760 386032814 /nfs/dbraw/zinc/03/28/14/386032814.db2.gz ZCOLXRSQXXSHFW-NTZNESFSSA-N 1 2 224.348 1.981 20 0 BDADLO CO[C@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000286383585 386033147 /nfs/dbraw/zinc/03/31/47/386033147.db2.gz MERPOZFDCQVSIZ-SECBINFHSA-N 1 2 221.304 1.825 20 0 BDADLO CCc1cc(N)nc(SCc2cc[nH]n2)[nH+]1 ZINC000295446549 386033586 /nfs/dbraw/zinc/03/35/86/386033586.db2.gz WDCHUMUWOZEOQM-UHFFFAOYSA-N 1 2 235.316 1.637 20 0 BDADLO C[NH2+]Cc1noc(C2(SC)CCC2)n1 ZINC000414642595 386038840 /nfs/dbraw/zinc/03/88/40/386038840.db2.gz LPLGYTAPGGOERB-UHFFFAOYSA-N 1 2 213.306 1.531 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425420252 386039589 /nfs/dbraw/zinc/03/95/89/386039589.db2.gz OQWISOBXIPYZPA-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425420252 386039594 /nfs/dbraw/zinc/03/95/94/386039594.db2.gz OQWISOBXIPYZPA-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000295499595 386042812 /nfs/dbraw/zinc/04/28/12/386042812.db2.gz TYNOJDRNYZLDDP-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000295499595 386042817 /nfs/dbraw/zinc/04/28/17/386042817.db2.gz TYNOJDRNYZLDDP-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2ccc(C)nc2)n1 ZINC000414644483 386046005 /nfs/dbraw/zinc/04/60/05/386046005.db2.gz OJALLEOOWPTZAI-AATRIKPKSA-N 1 2 230.271 1.663 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@H]2CF)n1 ZINC000295596718 386057806 /nfs/dbraw/zinc/05/78/06/386057806.db2.gz CKEBDPRJIOEIME-JTQLQIEISA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@H]2CF)n1 ZINC000295596718 386057811 /nfs/dbraw/zinc/05/78/11/386057811.db2.gz CKEBDPRJIOEIME-JTQLQIEISA-N 1 2 225.267 1.419 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C(F)F)no2)C1 ZINC000425460318 386103209 /nfs/dbraw/zinc/10/32/09/386103209.db2.gz RHGCDPKZUDAVAL-KNVOCYPGSA-N 1 2 247.245 1.616 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C(F)F)no2)C1 ZINC000425460318 386103215 /nfs/dbraw/zinc/10/32/15/386103215.db2.gz RHGCDPKZUDAVAL-KNVOCYPGSA-N 1 2 247.245 1.616 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000648000641 386110604 /nfs/dbraw/zinc/11/06/04/386110604.db2.gz WUTXIZOJVJIJPG-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1nccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000648000641 386110611 /nfs/dbraw/zinc/11/06/11/386110611.db2.gz WUTXIZOJVJIJPG-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334459702 386112014 /nfs/dbraw/zinc/11/20/14/386112014.db2.gz MFBNZRYSWOQQJX-MNOVXSKESA-N 1 2 247.342 1.750 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCCC2(CC2)C1 ZINC000274585819 386124261 /nfs/dbraw/zinc/12/42/61/386124261.db2.gz OMSXSYOLNNMVGI-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2ncc[nH]2)O1 ZINC000647930007 386119683 /nfs/dbraw/zinc/11/96/83/386119683.db2.gz LXKNXGHOCHXHNO-NXEZZACHSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ncc[nH]2)O1 ZINC000647930007 386119685 /nfs/dbraw/zinc/11/96/85/386119685.db2.gz LXKNXGHOCHXHNO-NXEZZACHSA-N 1 2 209.293 1.409 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1C[C@H]1C ZINC000334442131 386059556 /nfs/dbraw/zinc/05/95/56/386059556.db2.gz COXIQJRQRMGCRM-SCZZXKLOSA-N 1 2 204.273 1.797 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000286638224 386062013 /nfs/dbraw/zinc/06/20/13/386062013.db2.gz YPRZWXWIVJMUNA-LLVKDONJSA-N 1 2 242.269 1.938 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1Cc1ccncc1 ZINC000286638224 386062016 /nfs/dbraw/zinc/06/20/16/386062016.db2.gz YPRZWXWIVJMUNA-LLVKDONJSA-N 1 2 242.269 1.938 20 0 BDADLO Cc1cc(CNC(=O)c2ccn(C)c2)cc(C)[nH+]1 ZINC000335072733 386063932 /nfs/dbraw/zinc/06/39/32/386063932.db2.gz HJTSDCCWYBKCBX-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO C[NH2+]Cc1noc([C@H]2Cc3c(cccc3C)O2)n1 ZINC000414651389 386070025 /nfs/dbraw/zinc/07/00/25/386070025.db2.gz ZDHSWANUPKQDPY-LLVKDONJSA-N 1 2 245.282 1.774 20 0 BDADLO Cc1csc(C[N@@H+]2CCC[C@](F)(CO)C2)n1 ZINC000286719790 386070675 /nfs/dbraw/zinc/07/06/75/386070675.db2.gz CHXMZRNVICBQSP-LLVKDONJSA-N 1 2 244.335 1.748 20 0 BDADLO Cc1csc(C[N@H+]2CCC[C@](F)(CO)C2)n1 ZINC000286719790 386070682 /nfs/dbraw/zinc/07/06/82/386070682.db2.gz CHXMZRNVICBQSP-LLVKDONJSA-N 1 2 244.335 1.748 20 0 BDADLO c1coc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)c1 ZINC000274181378 386081464 /nfs/dbraw/zinc/08/14/64/386081464.db2.gz ZKKGJGDBAYWGHD-VIFPVBQESA-N 1 2 246.270 1.002 20 0 BDADLO CC[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000189828491 386090001 /nfs/dbraw/zinc/09/00/01/386090001.db2.gz CFXVNEYMDKVTQP-BXKDBHETSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287028239 386091281 /nfs/dbraw/zinc/09/12/81/386091281.db2.gz GWADYTBYSLWKJR-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cncc(F)c1 ZINC000274365585 386095041 /nfs/dbraw/zinc/09/50/41/386095041.db2.gz OSVYHRHOOGYISN-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cncc(F)c1 ZINC000274365585 386095045 /nfs/dbraw/zinc/09/50/45/386095045.db2.gz OSVYHRHOOGYISN-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000075779193 386095179 /nfs/dbraw/zinc/09/51/79/386095179.db2.gz GOXSHKQQXQPOMC-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000075779193 386095184 /nfs/dbraw/zinc/09/51/84/386095184.db2.gz GOXSHKQQXQPOMC-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCSCC1 ZINC000287109094 386095257 /nfs/dbraw/zinc/09/52/57/386095257.db2.gz JSUKYMJWLUDCKY-UHFFFAOYSA-N 1 2 239.344 1.308 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2cnccc21 ZINC000183072140 386146412 /nfs/dbraw/zinc/14/64/12/386146412.db2.gz DWTNRUARWQKCJA-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2cnccc21 ZINC000183072140 386146415 /nfs/dbraw/zinc/14/64/15/386146415.db2.gz DWTNRUARWQKCJA-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287787839 386147432 /nfs/dbraw/zinc/14/74/32/386147432.db2.gz IIRVEPVGRKGFPP-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO CC(F)(F)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335159285 386154627 /nfs/dbraw/zinc/15/46/27/386154627.db2.gz ZDJCNHLRXYOJLX-SSDOTTSWSA-N 1 2 243.257 1.429 20 0 BDADLO CC(F)(F)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335159285 386154633 /nfs/dbraw/zinc/15/46/33/386154633.db2.gz ZDJCNHLRXYOJLX-SSDOTTSWSA-N 1 2 243.257 1.429 20 0 BDADLO CCSCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000288045479 386163558 /nfs/dbraw/zinc/16/35/58/386163558.db2.gz DXKACCGEKPIPRS-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccs2)CC[S@]1=O ZINC000334477720 386163563 /nfs/dbraw/zinc/16/35/63/386163563.db2.gz PQCPKVGFFJHIPB-LKFCYVNXSA-N 1 2 229.370 1.701 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccs2)CC[S@]1=O ZINC000334477720 386163571 /nfs/dbraw/zinc/16/35/71/386163571.db2.gz PQCPKVGFFJHIPB-LKFCYVNXSA-N 1 2 229.370 1.701 20 0 BDADLO C/C=C/C=C\C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000216434011 386169318 /nfs/dbraw/zinc/16/93/18/386169318.db2.gz CSJPDGYVGBGPIE-ICWBMWKASA-N 1 2 205.261 1.500 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000414372908 386179057 /nfs/dbraw/zinc/17/90/57/386179057.db2.gz QIXPFHAVSCHTKL-SNVBAGLBSA-N 1 2 221.304 1.260 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000414372908 386179060 /nfs/dbraw/zinc/17/90/60/386179060.db2.gz QIXPFHAVSCHTKL-SNVBAGLBSA-N 1 2 221.304 1.260 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000414372923 386179687 /nfs/dbraw/zinc/17/96/87/386179687.db2.gz QNLUMBFFONWCMO-OLZOCXBDSA-N 1 2 247.342 1.792 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000414372923 386179692 /nfs/dbraw/zinc/17/96/92/386179692.db2.gz QNLUMBFFONWCMO-OLZOCXBDSA-N 1 2 247.342 1.792 20 0 BDADLO CC1(C)COC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000425497213 386180487 /nfs/dbraw/zinc/18/04/87/386180487.db2.gz WIANFMHBHDSDOQ-ZCFIWIBFSA-N 1 2 247.245 1.522 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccno1 ZINC000275132120 386183017 /nfs/dbraw/zinc/18/30/17/386183017.db2.gz RZYDTXWENDRLHK-NSHDSACASA-N 1 2 224.260 1.202 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccno1 ZINC000275132120 386183022 /nfs/dbraw/zinc/18/30/22/386183022.db2.gz RZYDTXWENDRLHK-NSHDSACASA-N 1 2 224.260 1.202 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+](C)Cc1ccco1 ZINC000338969697 386188010 /nfs/dbraw/zinc/18/80/10/386188010.db2.gz BLNWQLRNCFXVBQ-UHFFFAOYSA-N 1 2 236.315 1.580 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000338969697 386188016 /nfs/dbraw/zinc/18/80/16/386188016.db2.gz BLNWQLRNCFXVBQ-UHFFFAOYSA-N 1 2 236.315 1.580 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(CO)cc1 ZINC000647930327 386130267 /nfs/dbraw/zinc/13/02/67/386130267.db2.gz ZQLHPRHBZSZRII-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(CO)cc1 ZINC000647930327 386130278 /nfs/dbraw/zinc/13/02/78/386130278.db2.gz ZQLHPRHBZSZRII-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO CC(C)[N@H+](Cc1cn2ccccc2n1)C1COC1 ZINC000296115318 386137527 /nfs/dbraw/zinc/13/75/27/386137527.db2.gz SQYRTZJVHGYIAB-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CC(C)[N@@H+](Cc1cn2ccccc2n1)C1COC1 ZINC000296115318 386137534 /nfs/dbraw/zinc/13/75/34/386137534.db2.gz SQYRTZJVHGYIAB-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000274677621 386138416 /nfs/dbraw/zinc/13/84/16/386138416.db2.gz LNUIFPVFUXMBIZ-MFKMUULPSA-N 1 2 235.331 1.719 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)CC1(CO)CC1 ZINC000190009160 386140586 /nfs/dbraw/zinc/14/05/86/386140586.db2.gz CYPPIVDCSCZCKC-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)CC1(CO)CC1 ZINC000190009160 386140589 /nfs/dbraw/zinc/14/05/89/386140589.db2.gz CYPPIVDCSCZCKC-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(C)nn2)C[C@H](C)O1 ZINC000414376428 386200718 /nfs/dbraw/zinc/20/07/18/386200718.db2.gz CDQCXFVRBZQFIO-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(C)nn2)C[C@H](C)O1 ZINC000414376428 386200721 /nfs/dbraw/zinc/20/07/21/386200721.db2.gz CDQCXFVRBZQFIO-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(O)c1 ZINC000353151688 386201244 /nfs/dbraw/zinc/20/12/44/386201244.db2.gz GPNHUXCWHLIYKI-UHFFFAOYSA-N 1 2 237.299 1.776 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(O)c1 ZINC000353151688 386201249 /nfs/dbraw/zinc/20/12/49/386201249.db2.gz GPNHUXCWHLIYKI-UHFFFAOYSA-N 1 2 237.299 1.776 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000428083863 386202346 /nfs/dbraw/zinc/20/23/46/386202346.db2.gz LPMTXZMCLCSJTC-FTYKPCCVSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1cc(NC[C@H](O)C2CCC2)nc[nH+]1 ZINC000315996028 386204014 /nfs/dbraw/zinc/20/40/14/386204014.db2.gz IKKUQWIZHWUUTI-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO CC(C)CCCNC(=O)NCc1[nH+]ccn1C ZINC000264128317 386209583 /nfs/dbraw/zinc/20/95/83/386209583.db2.gz HWIPSYKBXRTHNB-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CC12CC2 ZINC000643317068 386210716 /nfs/dbraw/zinc/21/07/16/386210716.db2.gz BXZARKZKDPCKPM-JTQLQIEISA-N 1 2 232.283 1.507 20 0 BDADLO Cc1occc1C[NH+]1CCN(CC(F)F)CC1 ZINC000414379286 386215039 /nfs/dbraw/zinc/21/50/39/386215039.db2.gz IEQZRINURLQYLC-UHFFFAOYSA-N 1 2 244.285 1.971 20 0 BDADLO Cn1cc[nH+]c1CNCc1noc2c1CCCC2 ZINC000288569144 386217517 /nfs/dbraw/zinc/21/75/17/386217517.db2.gz ZMXGFHWCFLYNFX-UHFFFAOYSA-N 1 2 246.314 1.577 20 0 BDADLO Cc1cc(CNC(=O)c2ccn(C)n2)cc(C)[nH+]1 ZINC000643318675 386217913 /nfs/dbraw/zinc/21/79/13/386217913.db2.gz XWQASNCSNBPUBS-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(C(N)=O)c(F)c1 ZINC000340556510 386218961 /nfs/dbraw/zinc/21/89/61/386218961.db2.gz OPHONLBQONNQSQ-UHFFFAOYSA-N 1 2 248.261 1.270 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnccc1OC ZINC000347026919 386219662 /nfs/dbraw/zinc/21/96/62/386219662.db2.gz CSXGEFXTYARBCF-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnccc1OC ZINC000347026919 386219668 /nfs/dbraw/zinc/21/96/68/386219668.db2.gz CSXGEFXTYARBCF-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H](O)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000297076701 386223442 /nfs/dbraw/zinc/22/34/42/386223442.db2.gz OPFRXQYIXWGNBW-JTQLQIEISA-N 1 2 237.303 1.591 20 0 BDADLO CC[C@H](O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297090643 386223746 /nfs/dbraw/zinc/22/37/46/386223746.db2.gz LMWAZWXXSHGCNJ-JTQLQIEISA-N 1 2 248.286 1.227 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCO[C@@H](C)C2)no1 ZINC000408360089 386225414 /nfs/dbraw/zinc/22/54/14/386225414.db2.gz RUGVJGLJTGMWLG-ONGXEEELSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCO[C@@H](C)C2)no1 ZINC000408360089 386225416 /nfs/dbraw/zinc/22/54/16/386225416.db2.gz RUGVJGLJTGMWLG-ONGXEEELSA-N 1 2 239.319 1.625 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288725785 386229764 /nfs/dbraw/zinc/22/97/64/386229764.db2.gz AQTOZQQNEXIIFA-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(C[N@@H+](CCO)C1CC1)OCc1ccccc1 ZINC000264463777 386240233 /nfs/dbraw/zinc/24/02/33/386240233.db2.gz LGDBYWAWRDPSET-UHFFFAOYSA-N 1 2 249.310 1.187 20 0 BDADLO O=C(C[N@H+](CCO)C1CC1)OCc1ccccc1 ZINC000264463777 386240238 /nfs/dbraw/zinc/24/02/38/386240238.db2.gz LGDBYWAWRDPSET-UHFFFAOYSA-N 1 2 249.310 1.187 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccco2)C1 ZINC000297308174 386241389 /nfs/dbraw/zinc/24/13/89/386241389.db2.gz BOOKJHGGWXUQAD-UHFFFAOYSA-N 1 2 225.288 1.517 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000339091519 386243226 /nfs/dbraw/zinc/24/32/26/386243226.db2.gz BWONIVDTCBIUOE-CYBMUJFWSA-N 1 2 248.326 1.106 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000339091519 386243230 /nfs/dbraw/zinc/24/32/30/386243230.db2.gz BWONIVDTCBIUOE-CYBMUJFWSA-N 1 2 248.326 1.106 20 0 BDADLO Cc1noc(CCC(=O)Nc2cc[nH+]cc2C)n1 ZINC000264516279 386244509 /nfs/dbraw/zinc/24/45/09/386244509.db2.gz LDSIXDJMOSXXFG-UHFFFAOYSA-N 1 2 246.270 1.653 20 0 BDADLO CCn1ccnc1C[N@H+](CC)CCOC ZINC000336649291 386260906 /nfs/dbraw/zinc/26/09/06/386260906.db2.gz QSHGBCBGLKAXTM-UHFFFAOYSA-N 1 2 211.309 1.371 20 0 BDADLO CCn1ccnc1C[N@@H+](CC)CCOC ZINC000336649291 386260907 /nfs/dbraw/zinc/26/09/07/386260907.db2.gz QSHGBCBGLKAXTM-UHFFFAOYSA-N 1 2 211.309 1.371 20 0 BDADLO Cn1cc(C[NH2+]Cc2noc3c2CCCC3)cn1 ZINC000264557963 386249102 /nfs/dbraw/zinc/24/91/02/386249102.db2.gz NNYAWKYCDTZVHX-UHFFFAOYSA-N 1 2 246.314 1.577 20 0 BDADLO CCC1(C)C[NH+](Cc2nccnc2OC)C1 ZINC000297387804 386251807 /nfs/dbraw/zinc/25/18/07/386251807.db2.gz KFEINBASKCOVBV-UHFFFAOYSA-N 1 2 221.304 1.717 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264604788 386252956 /nfs/dbraw/zinc/25/29/56/386252956.db2.gz YVMPIMZITAUHKW-KOLCDFICSA-N 1 2 229.283 1.720 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCn2cc[nH+]c2C1 ZINC000428103153 386197090 /nfs/dbraw/zinc/19/70/90/386197090.db2.gz PKMYPJASDNWUAN-MEWQQHAOSA-N 1 2 245.326 1.360 20 0 BDADLO CC(C)c1noc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000275255778 386197422 /nfs/dbraw/zinc/19/74/22/386197422.db2.gz ZGPULEQRPFLEBT-MRVPVSSYSA-N 1 2 235.291 1.767 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCC(C)CC1)[C@@H](C)O ZINC000191021492 386199847 /nfs/dbraw/zinc/19/98/47/386199847.db2.gz AEVBQRRRZHHOLJ-DJRKXVOMSA-N 1 2 229.320 1.077 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCOC1CCC1)C(=O)OC ZINC000347198385 386281074 /nfs/dbraw/zinc/28/10/74/386281074.db2.gz LLVPSWFEPRCUTE-PWSUYJOCSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(F)cn1 ZINC000276174074 386281158 /nfs/dbraw/zinc/28/11/58/386281158.db2.gz FTZMXNSIHGILKD-JDNHERCYSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(F)cn1 ZINC000276174074 386281161 /nfs/dbraw/zinc/28/11/61/386281161.db2.gz FTZMXNSIHGILKD-JDNHERCYSA-N 1 2 244.335 1.420 20 0 BDADLO CCN1CC[N@H+](CCOC2CCC2)[C@@H](C)C1=O ZINC000347221091 386288146 /nfs/dbraw/zinc/28/81/46/386288146.db2.gz DYBQHBAPALLKLZ-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCN1CC[N@@H+](CCOC2CCC2)[C@@H](C)C1=O ZINC000347221091 386288151 /nfs/dbraw/zinc/28/81/51/386288151.db2.gz DYBQHBAPALLKLZ-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+](CCC(F)(F)F)Cc1cn(C)nn1 ZINC000336665898 386291195 /nfs/dbraw/zinc/29/11/95/386291195.db2.gz JOVOZENTGKUFOY-UHFFFAOYSA-N 1 2 236.241 1.589 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)Cc1cn(C)nn1 ZINC000336665898 386291197 /nfs/dbraw/zinc/29/11/97/386291197.db2.gz JOVOZENTGKUFOY-UHFFFAOYSA-N 1 2 236.241 1.589 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000335263829 386295224 /nfs/dbraw/zinc/29/52/24/386295224.db2.gz HQXSOUVDFSISKB-MGPLVRAMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000335263829 386295228 /nfs/dbraw/zinc/29/52/28/386295228.db2.gz HQXSOUVDFSISKB-MGPLVRAMSA-N 1 2 241.356 1.931 20 0 BDADLO COCCc1noc(C[N@H+](C)CCSC)n1 ZINC000336668917 386310692 /nfs/dbraw/zinc/31/06/92/386310692.db2.gz HNPNXKACHDQGKY-UHFFFAOYSA-N 1 2 245.348 1.053 20 0 BDADLO COCCc1noc(C[N@@H+](C)CCSC)n1 ZINC000336668917 386310695 /nfs/dbraw/zinc/31/06/95/386310695.db2.gz HNPNXKACHDQGKY-UHFFFAOYSA-N 1 2 245.348 1.053 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000289480154 386314430 /nfs/dbraw/zinc/31/44/30/386314430.db2.gz JWWUZDNJZJSRON-CYBMUJFWSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000289480154 386314435 /nfs/dbraw/zinc/31/44/35/386314435.db2.gz JWWUZDNJZJSRON-CYBMUJFWSA-N 1 2 249.289 1.680 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000647933104 386317434 /nfs/dbraw/zinc/31/74/34/386317434.db2.gz BFWAEKVRKMHUGD-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCc2nc[nH]c2C1 ZINC000647933104 386317436 /nfs/dbraw/zinc/31/74/36/386317436.db2.gz BFWAEKVRKMHUGD-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO CC(C)CN1CC[N@@H+]([C@H]2C=CCCC2)CC1=O ZINC000187053540 386265425 /nfs/dbraw/zinc/26/54/25/386265425.db2.gz RFVDONIRSUGAAJ-ZDUSSCGKSA-N 1 2 236.359 1.895 20 0 BDADLO CC(C)CN1CC[N@H+]([C@H]2C=CCCC2)CC1=O ZINC000187053540 386265428 /nfs/dbraw/zinc/26/54/28/386265428.db2.gz RFVDONIRSUGAAJ-ZDUSSCGKSA-N 1 2 236.359 1.895 20 0 BDADLO Cc1cc(C[N@H+]2CCSC[C@H]2C)nn1C ZINC000336651510 386266320 /nfs/dbraw/zinc/26/63/20/386266320.db2.gz VJJCXWCFEUSKPH-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cc(C[N@@H+]2CCSC[C@H]2C)nn1C ZINC000336651510 386266324 /nfs/dbraw/zinc/26/63/24/386266324.db2.gz VJJCXWCFEUSKPH-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1[nH]c(C(=O)NC2CCSCC2)c[nH+]1 ZINC000264724713 386266747 /nfs/dbraw/zinc/26/67/47/386266747.db2.gz PULLQXXBEGZNCR-UHFFFAOYSA-N 1 2 225.317 1.344 20 0 BDADLO C[NH+](C)CC(=O)Oc1ccc2c(c1)NC(=O)CC2 ZINC000276054263 386266817 /nfs/dbraw/zinc/26/68/17/386266817.db2.gz YPDFUOXAOXOZHR-UHFFFAOYSA-N 1 2 248.282 1.038 20 0 BDADLO C[C@@H]1C[N@H+](CCOC2CCC2)CCC1=O ZINC000347164499 386267197 /nfs/dbraw/zinc/26/71/97/386267197.db2.gz KIEATEXKSMOCEF-SNVBAGLBSA-N 1 2 211.305 1.466 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC2CCC2)CCC1=O ZINC000347164499 386267203 /nfs/dbraw/zinc/26/72/03/386267203.db2.gz KIEATEXKSMOCEF-SNVBAGLBSA-N 1 2 211.305 1.466 20 0 BDADLO CCC(=O)N1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000425522491 386323753 /nfs/dbraw/zinc/32/37/53/386323753.db2.gz WIZBGKXFYNCFBN-UHFFFAOYSA-N 1 2 248.326 1.191 20 0 BDADLO CCC(=O)N1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000425522491 386323760 /nfs/dbraw/zinc/32/37/60/386323760.db2.gz WIZBGKXFYNCFBN-UHFFFAOYSA-N 1 2 248.326 1.191 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1sccc1OC ZINC000276446584 386323988 /nfs/dbraw/zinc/32/39/88/386323988.db2.gz JGZAOEVVCDVYKW-UHFFFAOYSA-N 1 2 228.317 1.064 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1sccc1OC ZINC000276446584 386323994 /nfs/dbraw/zinc/32/39/94/386323994.db2.gz JGZAOEVVCDVYKW-UHFFFAOYSA-N 1 2 228.317 1.064 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1=CCCCC1 ZINC000276152739 386277542 /nfs/dbraw/zinc/27/75/42/386277542.db2.gz FCYXQIRIANXGIF-UHFFFAOYSA-N 1 2 219.288 1.835 20 0 BDADLO CC(C)n1ccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000264861798 386277566 /nfs/dbraw/zinc/27/75/66/386277566.db2.gz FRMLLGLSQJRJQH-UHFFFAOYSA-N 1 2 247.302 1.091 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@@H](C)O1 ZINC000336686542 386346728 /nfs/dbraw/zinc/34/67/28/386346728.db2.gz GGUHFISJEBXOFL-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@@H](C)O1 ZINC000336686542 386346734 /nfs/dbraw/zinc/34/67/34/386346734.db2.gz GGUHFISJEBXOFL-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CCC[C@H](O)CSc1nc(N)cc(C)[nH+]1 ZINC000298446906 386346781 /nfs/dbraw/zinc/34/67/81/386346781.db2.gz SDSPZXLZRYBZPN-QMMMGPOBSA-N 1 2 227.333 1.620 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000289734225 386347315 /nfs/dbraw/zinc/34/73/15/386347315.db2.gz IAGYICRGJFYBLT-LLVKDONJSA-N 1 2 227.283 1.015 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000289734225 386347320 /nfs/dbraw/zinc/34/73/20/386347320.db2.gz IAGYICRGJFYBLT-LLVKDONJSA-N 1 2 227.283 1.015 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC[C@H]1CCCCO1 ZINC000276612201 386354015 /nfs/dbraw/zinc/35/40/15/386354015.db2.gz PPTREMYVUCXCSC-ZYOFXKKJSA-N 1 2 249.314 1.498 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000336222687 386354976 /nfs/dbraw/zinc/35/49/76/386354976.db2.gz BMDHPEZWFUYAAU-QMMMGPOBSA-N 1 2 229.324 1.753 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000336222687 386354982 /nfs/dbraw/zinc/35/49/82/386354982.db2.gz BMDHPEZWFUYAAU-QMMMGPOBSA-N 1 2 229.324 1.753 20 0 BDADLO CCO[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276629739 386357332 /nfs/dbraw/zinc/35/73/32/386357332.db2.gz PGCRKMQKCFSAKX-NXEZZACHSA-N 1 2 239.319 1.648 20 0 BDADLO Cc1cc(C[N@@H+]2CCSC[C@@H]2CCO)no1 ZINC000336684754 386357701 /nfs/dbraw/zinc/35/77/01/386357701.db2.gz URMBGFDVHMICNS-NSHDSACASA-N 1 2 242.344 1.283 20 0 BDADLO Cc1cc(C[N@H+]2CCSC[C@@H]2CCO)no1 ZINC000336684754 386357706 /nfs/dbraw/zinc/35/77/06/386357706.db2.gz URMBGFDVHMICNS-NSHDSACASA-N 1 2 242.344 1.283 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC[C@H]1O ZINC000276656366 386359710 /nfs/dbraw/zinc/35/97/10/386359710.db2.gz XJUSONXUDMNWCW-SKNSLPIRSA-N 1 2 249.314 1.090 20 0 BDADLO CCN1CC[N@H+](Cc2ccoc2C)[C@@H](C)C1=O ZINC000335271985 386360773 /nfs/dbraw/zinc/36/07/73/386360773.db2.gz LOQMKVXJQZZPGL-JTQLQIEISA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[N@@H+](Cc2ccoc2C)[C@@H](C)C1=O ZINC000335271985 386360777 /nfs/dbraw/zinc/36/07/77/386360777.db2.gz LOQMKVXJQZZPGL-JTQLQIEISA-N 1 2 236.315 1.641 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1noc(C3CC3)n1)C2 ZINC000647933680 386367413 /nfs/dbraw/zinc/36/74/13/386367413.db2.gz XYQPFOBLHYXLLT-UHFFFAOYSA-N 1 2 245.286 1.228 20 0 BDADLO Cc1ccnc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000336693872 386368841 /nfs/dbraw/zinc/36/88/41/386368841.db2.gz FBORULMGBIACDQ-UHFFFAOYSA-N 1 2 221.304 1.132 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccn1C ZINC000353158131 386370898 /nfs/dbraw/zinc/37/08/98/386370898.db2.gz XTUIOXLPFDQDHH-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccn1C ZINC000353158131 386370908 /nfs/dbraw/zinc/37/09/08/386370908.db2.gz XTUIOXLPFDQDHH-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO CCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265790312 386370924 /nfs/dbraw/zinc/37/09/24/386370924.db2.gz UHIXVKQZNFGTRP-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265854118 386379215 /nfs/dbraw/zinc/37/92/15/386379215.db2.gz VHMGLFXBCNNCDU-WDEREUQCSA-N 1 2 223.320 1.682 20 0 BDADLO CC[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)OC ZINC000336697759 386382344 /nfs/dbraw/zinc/38/23/44/386382344.db2.gz QDAMAUJWPZZFOW-ATZCPNFKSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@H](C)O ZINC000336775211 386384986 /nfs/dbraw/zinc/38/49/86/386384986.db2.gz YISMUVSSMMRABH-LPEHRKFASA-N 1 2 229.320 1.077 20 0 BDADLO CSCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC000336676550 386327181 /nfs/dbraw/zinc/32/71/81/386327181.db2.gz YXEVVKJAQJJHIM-UHFFFAOYSA-N 1 2 214.338 1.298 20 0 BDADLO CSCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000336676550 386327186 /nfs/dbraw/zinc/32/71/86/386327186.db2.gz YXEVVKJAQJJHIM-UHFFFAOYSA-N 1 2 214.338 1.298 20 0 BDADLO CO[C@H]1CCC[C@H]1CNc1cc(C)[nH+]cn1 ZINC000336774380 386339626 /nfs/dbraw/zinc/33/96/26/386339626.db2.gz WTTQGYRQKSOTRD-QWRGUYRKSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCSC[C@@H]1C ZINC000290472681 386438132 /nfs/dbraw/zinc/43/81/32/386438132.db2.gz QHACUQYWSNPVQU-VIFPVBQESA-N 1 2 211.334 1.655 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCSC[C@@H]1C ZINC000290472681 386438141 /nfs/dbraw/zinc/43/81/41/386438141.db2.gz QHACUQYWSNPVQU-VIFPVBQESA-N 1 2 211.334 1.655 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@@H]1C ZINC000519422584 386439849 /nfs/dbraw/zinc/43/98/49/386439849.db2.gz ZJRHZHDZNKPISD-AEJSXWLSSA-N 1 2 221.304 1.361 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@@H]1C ZINC000519422584 386439857 /nfs/dbraw/zinc/43/98/57/386439857.db2.gz ZJRHZHDZNKPISD-AEJSXWLSSA-N 1 2 221.304 1.361 20 0 BDADLO COC(=O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000299427493 386452854 /nfs/dbraw/zinc/45/28/54/386452854.db2.gz PCAODUJFIIDHIY-UHFFFAOYSA-N 1 2 233.311 1.867 20 0 BDADLO COC(=O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000299427493 386452860 /nfs/dbraw/zinc/45/28/60/386452860.db2.gz PCAODUJFIIDHIY-UHFFFAOYSA-N 1 2 233.311 1.867 20 0 BDADLO O=C(c1ccoc1)N1CC[NH+](C2CC2)CC1 ZINC000299383632 386445070 /nfs/dbraw/zinc/44/50/70/386445070.db2.gz VSBVHQGJKIWQDW-UHFFFAOYSA-N 1 2 220.272 1.200 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000347546292 386445781 /nfs/dbraw/zinc/44/57/81/386445781.db2.gz FGIRMNHFPQDFOZ-UWVGGRQHSA-N 1 2 234.299 1.974 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1nc(C2CC2)no1 ZINC000336722247 386448908 /nfs/dbraw/zinc/44/89/08/386448908.db2.gz ZVPPYHHIIFZZLK-VIFPVBQESA-N 1 2 239.319 1.976 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1nc(C2CC2)no1 ZINC000336722247 386448912 /nfs/dbraw/zinc/44/89/12/386448912.db2.gz ZVPPYHHIIFZZLK-VIFPVBQESA-N 1 2 239.319 1.976 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000266552479 386450057 /nfs/dbraw/zinc/45/00/57/386450057.db2.gz UVVBRHLLEVGCNE-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000266552479 386450059 /nfs/dbraw/zinc/45/00/59/386450059.db2.gz UVVBRHLLEVGCNE-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCOC[C@H]1C ZINC000277582973 386450630 /nfs/dbraw/zinc/45/06/30/386450630.db2.gz WABUTLCLDYSXEF-ZYHUDNBSSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1ccc([C@H](O)CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000265954692 386388070 /nfs/dbraw/zinc/38/80/70/386388070.db2.gz JPZDZKJEKDMCIC-SNVBAGLBSA-N 1 2 249.270 1.083 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000339389613 386397865 /nfs/dbraw/zinc/39/78/65/386397865.db2.gz HNJHGLOXGORMBQ-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO CC(C)n1cc(C[N@H+](C)CCn2cccn2)nn1 ZINC000290172926 386401550 /nfs/dbraw/zinc/40/15/50/386401550.db2.gz YNTITNYMMLXGQA-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)CCn2cccn2)nn1 ZINC000290172926 386401553 /nfs/dbraw/zinc/40/15/53/386401553.db2.gz YNTITNYMMLXGQA-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000336702118 386405047 /nfs/dbraw/zinc/40/50/47/386405047.db2.gz NCLCGRKVGAHREH-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000336702118 386405050 /nfs/dbraw/zinc/40/50/50/386405050.db2.gz NCLCGRKVGAHREH-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)on1 ZINC000299068860 386409301 /nfs/dbraw/zinc/40/93/01/386409301.db2.gz AZWNCVQOEFNBQR-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)on1 ZINC000299068860 386409305 /nfs/dbraw/zinc/40/93/05/386409305.db2.gz AZWNCVQOEFNBQR-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C2CCCC2)nc(N)[nH+]1 ZINC000310683796 386430688 /nfs/dbraw/zinc/43/06/88/386430688.db2.gz NUKNYNOLQMJFIT-LLVKDONJSA-N 1 2 247.346 1.921 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H]2C2CCCC2)[nH+]1 ZINC000310683796 386430692 /nfs/dbraw/zinc/43/06/92/386430692.db2.gz NUKNYNOLQMJFIT-LLVKDONJSA-N 1 2 247.346 1.921 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)nn1C ZINC000336712987 386431034 /nfs/dbraw/zinc/43/10/34/386431034.db2.gz SERNUUPSQYOXNK-OLZOCXBDSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)nn1C ZINC000336712987 386431040 /nfs/dbraw/zinc/43/10/40/386431040.db2.gz SERNUUPSQYOXNK-OLZOCXBDSA-N 1 2 235.331 1.482 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000336715108 386434217 /nfs/dbraw/zinc/43/42/17/386434217.db2.gz TWHOSSMVMPRUNY-VIFPVBQESA-N 1 2 238.335 1.159 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000336715108 386434221 /nfs/dbraw/zinc/43/42/21/386434221.db2.gz TWHOSSMVMPRUNY-VIFPVBQESA-N 1 2 238.335 1.159 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000277412472 386434306 /nfs/dbraw/zinc/43/43/06/386434306.db2.gz JRXIGMIKDFHTRR-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000277412472 386434313 /nfs/dbraw/zinc/43/43/13/386434313.db2.gz JRXIGMIKDFHTRR-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000290439037 386435886 /nfs/dbraw/zinc/43/58/86/386435886.db2.gz NSDLVLJQWNJMQT-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1cnn(C)c1 ZINC000290439037 386435888 /nfs/dbraw/zinc/43/58/88/386435888.db2.gz NSDLVLJQWNJMQT-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1nc(CNc2cc[nH+]c(C3CC3)n2)no1 ZINC000266455134 386436431 /nfs/dbraw/zinc/43/64/31/386436431.db2.gz XXHRGUBHJFGBSF-UHFFFAOYSA-N 1 2 231.259 1.658 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)CC[C@@H](C)O ZINC000266780763 386467324 /nfs/dbraw/zinc/46/73/24/386467324.db2.gz ZRNDLWGTCVXUFS-LLVKDONJSA-N 1 2 225.336 1.667 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)CC[C@@H](C)O ZINC000266780763 386467327 /nfs/dbraw/zinc/46/73/27/386467327.db2.gz ZRNDLWGTCVXUFS-LLVKDONJSA-N 1 2 225.336 1.667 20 0 BDADLO O=C(CC1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299568981 386468829 /nfs/dbraw/zinc/46/88/29/386468829.db2.gz BKOKBBRMQQIUOZ-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCc2ccccc21 ZINC000299598549 386471325 /nfs/dbraw/zinc/47/13/25/386471325.db2.gz FYSPLMVYONVYFV-UHFFFAOYSA-N 1 2 241.294 1.863 20 0 BDADLO CN(CCOCC1CC1)c1cccc[nH+]1 ZINC000266909918 386479233 /nfs/dbraw/zinc/47/92/33/386479233.db2.gz IVQIBTWNTVNFJL-UHFFFAOYSA-N 1 2 206.289 1.944 20 0 BDADLO COC[C@H](CCO)Nc1cc[nH+]c2ccncc12 ZINC000290849993 386481301 /nfs/dbraw/zinc/48/13/01/386481301.db2.gz XFSLJNCSYYGXHK-JTQLQIEISA-N 1 2 247.298 1.439 20 0 BDADLO C[C@H]1C[C@H]([NH+]=c2[nH]c3c(cccc3F)n2C)CO1 ZINC000335430076 386487029 /nfs/dbraw/zinc/48/70/29/386487029.db2.gz SYNJZRWGXJYCIO-IUCAKERBSA-N 1 2 249.289 1.724 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000339585129 386487417 /nfs/dbraw/zinc/48/74/17/386487417.db2.gz UKQZLEOFNYFOPH-GHMZBOCLSA-N 1 2 221.304 1.567 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCO[C@H](C)C2)cn1 ZINC000339585129 386487420 /nfs/dbraw/zinc/48/74/20/386487420.db2.gz UKQZLEOFNYFOPH-GHMZBOCLSA-N 1 2 221.304 1.567 20 0 BDADLO c1cn(Cc2nc(Cc3cccnc3)no2)c[nH+]1 ZINC000340647950 386487626 /nfs/dbraw/zinc/48/76/26/386487626.db2.gz AXGUDDKNYIPVPV-UHFFFAOYSA-N 1 2 241.254 1.300 20 0 BDADLO Cc1cnn([C@H]2CCN(c3cc[nH+]c(C)n3)C2)c1 ZINC000290935504 386488899 /nfs/dbraw/zinc/48/88/99/386488899.db2.gz ZIPMCUCPZVPUHH-LBPRGKRZSA-N 1 2 243.314 1.741 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CCC=CO1 ZINC000278461524 386529464 /nfs/dbraw/zinc/52/94/64/386529464.db2.gz FBGPMMODDVEZPJ-LLVKDONJSA-N 1 2 221.304 1.545 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CCC=CO1 ZINC000278461524 386529471 /nfs/dbraw/zinc/52/94/71/386529471.db2.gz FBGPMMODDVEZPJ-LLVKDONJSA-N 1 2 221.304 1.545 20 0 BDADLO c1cn(Cc2nc(CCC3CC3)no2)c[nH+]1 ZINC000278144009 386493864 /nfs/dbraw/zinc/49/38/64/386493864.db2.gz QYTAWKKDOLORSK-UHFFFAOYSA-N 1 2 218.260 1.657 20 0 BDADLO CC(C)CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290988202 386497658 /nfs/dbraw/zinc/49/76/58/386497658.db2.gz WUVLFLQQODXAFV-UHFFFAOYSA-N 1 2 221.304 1.662 20 0 BDADLO c1ncn(CCSc2[nH+]cc3ccccn32)n1 ZINC000339629489 386499101 /nfs/dbraw/zinc/49/91/01/386499101.db2.gz KSMHNTHRQWKQBG-UHFFFAOYSA-N 1 2 245.311 1.718 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1cccnc1 ZINC000267151187 386501254 /nfs/dbraw/zinc/50/12/54/386501254.db2.gz DWURBUNKAJBKQD-VIFPVBQESA-N 1 2 244.298 1.533 20 0 BDADLO C[C@H](C(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000267166257 386502839 /nfs/dbraw/zinc/50/28/39/386502839.db2.gz TZMLXSBZOXQYDK-JTQLQIEISA-N 1 2 243.310 1.997 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCC=CO1 ZINC000278255182 386505106 /nfs/dbraw/zinc/50/51/06/386505106.db2.gz PQKNCTNJAMARSU-SNVBAGLBSA-N 1 2 213.277 1.174 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CCC=CO1 ZINC000278255182 386505115 /nfs/dbraw/zinc/50/51/15/386505115.db2.gz PQKNCTNJAMARSU-SNVBAGLBSA-N 1 2 213.277 1.174 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)on1 ZINC000335446750 386512618 /nfs/dbraw/zinc/51/26/18/386512618.db2.gz KNAKVJOUDGNJHY-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)on1 ZINC000335446750 386512626 /nfs/dbraw/zinc/51/26/26/386512626.db2.gz KNAKVJOUDGNJHY-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO COC[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000267228239 386515123 /nfs/dbraw/zinc/51/51/23/386515123.db2.gz PJYPFIRGKKXWDL-SECBINFHSA-N 1 2 233.271 1.049 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339678569 386516987 /nfs/dbraw/zinc/51/69/87/386516987.db2.gz HWQRFAMVDTYBOE-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H](C)O1 ZINC000227840416 386517713 /nfs/dbraw/zinc/51/77/13/386517713.db2.gz LZHMQFIRTKODCP-RNFRBKRXSA-N 1 2 242.710 1.326 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000335448125 386517672 /nfs/dbraw/zinc/51/76/72/386517672.db2.gz UCEDSNNCHLIGRR-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000335448125 386517678 /nfs/dbraw/zinc/51/76/78/386517678.db2.gz UCEDSNNCHLIGRR-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@H]1C1CCC1 ZINC000335448125 386517682 /nfs/dbraw/zinc/51/76/82/386517682.db2.gz UCEDSNNCHLIGRR-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)(C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291196711 386520876 /nfs/dbraw/zinc/52/08/76/386520876.db2.gz IJMGHCLLMCGASD-UHFFFAOYSA-N 1 2 236.319 1.454 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000291181181 386521842 /nfs/dbraw/zinc/52/18/42/386521842.db2.gz FQCFIKINDMYRJY-JTQLQIEISA-N 1 2 217.276 1.053 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000291181181 386521849 /nfs/dbraw/zinc/52/18/49/386521849.db2.gz FQCFIKINDMYRJY-JTQLQIEISA-N 1 2 217.276 1.053 20 0 BDADLO Cc1nsc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000336754743 386526100 /nfs/dbraw/zinc/52/61/00/386526100.db2.gz XEEOYSRHNGXZQT-OIBJUYFYSA-N 1 2 238.360 1.163 20 0 BDADLO Cc1nsc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000336754743 386526108 /nfs/dbraw/zinc/52/61/08/386526108.db2.gz XEEOYSRHNGXZQT-OIBJUYFYSA-N 1 2 238.360 1.163 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)CCn1cc[nH+]c1 ZINC000291243432 386526453 /nfs/dbraw/zinc/52/64/53/386526453.db2.gz LIOIFFYOEDWBJV-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO CN(CC[N@H+](C)Cc1ccn(C)c1)C1CC1 ZINC000290589198 386456133 /nfs/dbraw/zinc/45/61/33/386456133.db2.gz VEESAZQEBGNXRA-UHFFFAOYSA-N 1 2 221.348 1.551 20 0 BDADLO CN(CC[N@@H+](C)Cc1ccn(C)c1)C1CC1 ZINC000290589198 386456135 /nfs/dbraw/zinc/45/61/35/386456135.db2.gz VEESAZQEBGNXRA-UHFFFAOYSA-N 1 2 221.348 1.551 20 0 BDADLO CSCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299486317 386458873 /nfs/dbraw/zinc/45/88/73/386458873.db2.gz DUQAPQDTFPXQOL-SECBINFHSA-N 1 2 239.344 1.826 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2CO)nn1 ZINC000347662450 386461098 /nfs/dbraw/zinc/46/10/98/386461098.db2.gz BAUGNNKIRBHFJX-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCC[C@@H]2CO)nn1 ZINC000347662450 386461105 /nfs/dbraw/zinc/46/11/05/386461105.db2.gz BAUGNNKIRBHFJX-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000299511206 386462136 /nfs/dbraw/zinc/46/21/36/386462136.db2.gz TZBQUCNMIKTJDH-LDYMZIIASA-N 1 2 236.271 1.454 20 0 BDADLO c1cn(CCNc2ccc3ccccc3[nH+]2)nn1 ZINC000136314456 386574429 /nfs/dbraw/zinc/57/44/29/386574429.db2.gz XMOZMQMPLZLBBH-UHFFFAOYSA-N 1 2 239.282 1.938 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1C ZINC000267744605 386578061 /nfs/dbraw/zinc/57/80/61/386578061.db2.gz XEICJWTZIOLXTE-WDEREUQCSA-N 1 2 236.319 1.466 20 0 BDADLO CCC1(CC)CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267742080 386579445 /nfs/dbraw/zinc/57/94/45/386579445.db2.gz GBSFZFXLUYEGON-UHFFFAOYSA-N 1 2 249.314 1.485 20 0 BDADLO Cc1cc(NC(=O)c2cn3c(n2)CCC3)cc[nH+]1 ZINC000335417713 386586292 /nfs/dbraw/zinc/58/62/92/386586292.db2.gz LDSVELDRHSZMLG-UHFFFAOYSA-N 1 2 242.282 1.207 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000291821335 386587043 /nfs/dbraw/zinc/58/70/43/386587043.db2.gz SDXJKJKORRDROK-SZKDQXIBSA-N 1 2 233.193 1.490 20 0 BDADLO CCC1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000335420417 386592346 /nfs/dbraw/zinc/59/23/46/386592346.db2.gz BRLCAJOGYPPFHG-JTQLQIEISA-N 1 2 233.315 1.698 20 0 BDADLO Cc1cc(NC[C@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000336738828 386595713 /nfs/dbraw/zinc/59/57/13/386595713.db2.gz KPOIXTMKQARMQS-MWLCHTKSSA-N 1 2 221.304 1.291 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CCCCC1 ZINC000278509026 386536648 /nfs/dbraw/zinc/53/66/48/386536648.db2.gz BCIAIRSQTGASJA-UHFFFAOYSA-N 1 2 221.304 1.710 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1CCCCC1 ZINC000278509026 386536655 /nfs/dbraw/zinc/53/66/55/386536655.db2.gz BCIAIRSQTGASJA-UHFFFAOYSA-N 1 2 221.304 1.710 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)CC2(CCC2)O1 ZINC000335460667 386541237 /nfs/dbraw/zinc/54/12/37/386541237.db2.gz BCMJRXLGYQLKTA-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)CC2(CCC2)O1 ZINC000335460667 386541243 /nfs/dbraw/zinc/54/12/43/386541243.db2.gz BCMJRXLGYQLKTA-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC2(CCC2)O1 ZINC000335462234 386544942 /nfs/dbraw/zinc/54/49/42/386544942.db2.gz MABMYKDNMMKYHC-JTQLQIEISA-N 1 2 221.304 1.553 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cn[nH]c2)n1C ZINC000336780543 386547600 /nfs/dbraw/zinc/54/76/00/386547600.db2.gz RPMBLIJYEKHCTG-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CC2(CCC2)O1 ZINC000335463302 386547569 /nfs/dbraw/zinc/54/75/69/386547569.db2.gz QEQQSOCYMSYYNN-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)CC2(CCC2)O1 ZINC000335463302 386547574 /nfs/dbraw/zinc/54/75/74/386547574.db2.gz QEQQSOCYMSYYNN-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)CC2(CCC2)O1 ZINC000335463302 386547578 /nfs/dbraw/zinc/54/75/78/386547578.db2.gz QEQQSOCYMSYYNN-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)c2cn[nH]c2)n1C ZINC000336780543 386547604 /nfs/dbraw/zinc/54/76/04/386547604.db2.gz RPMBLIJYEKHCTG-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO Cc1cc(NCc2ncnn2C(C)(C)C)nc[nH+]1 ZINC000336907744 386548216 /nfs/dbraw/zinc/54/82/16/386548216.db2.gz VDJLDJRHWLUETC-UHFFFAOYSA-N 1 2 246.318 1.166 20 0 BDADLO C/C=C(\C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000267512405 386549422 /nfs/dbraw/zinc/54/94/22/386549422.db2.gz KMHGSPNTFYIFMR-BJMVGYQFSA-N 1 2 233.315 1.730 20 0 BDADLO CN(C)c1[nH]c2ccc(NC(=O)C3CC3)cc2[nH+]1 ZINC000278611559 386555275 /nfs/dbraw/zinc/55/52/75/386555275.db2.gz LUOFCIRPHLGILL-UHFFFAOYSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1cc(F)c(C[N@H+](C)CCO)c(F)c1 ZINC000425321123 386559097 /nfs/dbraw/zinc/55/90/97/386559097.db2.gz HBQPOHUJHZXQJU-UHFFFAOYSA-N 1 2 215.243 1.697 20 0 BDADLO Cc1cc(F)c(C[N@@H+](C)CCO)c(F)c1 ZINC000425321123 386559108 /nfs/dbraw/zinc/55/91/08/386559108.db2.gz HBQPOHUJHZXQJU-UHFFFAOYSA-N 1 2 215.243 1.697 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOCC(C)(C)O ZINC000278662502 386564116 /nfs/dbraw/zinc/56/41/16/386564116.db2.gz XFBJJZNLOVJMGI-UHFFFAOYSA-N 1 2 239.275 1.214 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)n[nH]1 ZINC000335408813 386569021 /nfs/dbraw/zinc/56/90/21/386569021.db2.gz QIWCNDGGIQLJKC-NSHDSACASA-N 1 2 239.344 1.118 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)n[nH]1 ZINC000335408813 386569030 /nfs/dbraw/zinc/56/90/30/386569030.db2.gz QIWCNDGGIQLJKC-NSHDSACASA-N 1 2 239.344 1.118 20 0 BDADLO C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000336756463 386568987 /nfs/dbraw/zinc/56/89/87/386568987.db2.gz JKYAODRUMZUDFU-SSDOTTSWSA-N 1 2 210.281 1.179 20 0 BDADLO c1[nH]c(CN2CCO[C@@]3(CCSC3)C2)c[nH+]1 ZINC000335409685 386572085 /nfs/dbraw/zinc/57/20/85/386572085.db2.gz UUQLBIHTKCTANP-NSHDSACASA-N 1 2 239.344 1.118 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000644933745 386620785 /nfs/dbraw/zinc/62/07/85/386620785.db2.gz VYTADIBEVXNLKX-UHFFFAOYSA-N 1 2 233.315 1.266 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000644933745 386620789 /nfs/dbraw/zinc/62/07/89/386620789.db2.gz VYTADIBEVXNLKX-UHFFFAOYSA-N 1 2 233.315 1.266 20 0 BDADLO C[C@H](O)CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000279025902 386622066 /nfs/dbraw/zinc/62/20/66/386622066.db2.gz BAKNRFJQQMWMET-JTQLQIEISA-N 1 2 247.298 1.225 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353191343 386623686 /nfs/dbraw/zinc/62/36/86/386623686.db2.gz JUIONTNOARZQFW-HTQZYQBOSA-N 1 2 225.304 1.440 20 0 BDADLO CSC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353191343 386623692 /nfs/dbraw/zinc/62/36/92/386623692.db2.gz JUIONTNOARZQFW-HTQZYQBOSA-N 1 2 225.304 1.440 20 0 BDADLO CO[C@@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000644930931 386629153 /nfs/dbraw/zinc/62/91/53/386629153.db2.gz ATNUWXUJSHMEQK-UWVGGRQHSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H](C[N@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000644930931 386629155 /nfs/dbraw/zinc/62/91/55/386629155.db2.gz ATNUWXUJSHMEQK-UWVGGRQHSA-N 1 2 235.274 1.113 20 0 BDADLO Cc1cn(C)nc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335503569 386632642 /nfs/dbraw/zinc/63/26/42/386632642.db2.gz PYCVBVLXFCPKRZ-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nn(C)cc1Cl ZINC000335504474 386635185 /nfs/dbraw/zinc/63/51/85/386635185.db2.gz UFAOYHQZFFOXES-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nn(C)cc1Cl ZINC000335504474 386635191 /nfs/dbraw/zinc/63/51/91/386635191.db2.gz UFAOYHQZFFOXES-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cncn1CC ZINC000417745635 386636850 /nfs/dbraw/zinc/63/68/50/386636850.db2.gz OJRBFVDQULHKTO-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cncn1CC ZINC000417745635 386636865 /nfs/dbraw/zinc/63/68/65/386636865.db2.gz OJRBFVDQULHKTO-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1Cc1c[nH+]cn1CC ZINC000417745635 386636870 /nfs/dbraw/zinc/63/68/70/386636870.db2.gz OJRBFVDQULHKTO-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N(CC(F)F)C1CC1 ZINC000279126218 386636863 /nfs/dbraw/zinc/63/68/63/386636863.db2.gz DKZVKLONOVGQBS-UHFFFAOYSA-N 1 2 243.257 1.598 20 0 BDADLO Cn1cncc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000329241595 386639907 /nfs/dbraw/zinc/63/99/07/386639907.db2.gz RUQLRNWFSPLQEW-NSHDSACASA-N 1 2 231.303 1.310 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C(F)F)c1cn[nH]c1 ZINC000339797659 386644499 /nfs/dbraw/zinc/64/44/99/386644499.db2.gz IRFMGSVSMUFIJE-SSDOTTSWSA-N 1 2 241.245 1.852 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@H](CF)C2)cn1 ZINC000414470860 386644783 /nfs/dbraw/zinc/64/47/83/386644783.db2.gz NONZCOXLAJAPMN-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@H](CF)C2)cn1 ZINC000414470860 386644788 /nfs/dbraw/zinc/64/47/88/386644788.db2.gz NONZCOXLAJAPMN-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CC2CCC2)C1 ZINC000328941320 386649600 /nfs/dbraw/zinc/64/96/00/386649600.db2.gz KYSRLGIKYUMPKD-MNOVXSKESA-N 1 2 236.319 1.367 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CC2CCC2)C1 ZINC000328941320 386649605 /nfs/dbraw/zinc/64/96/05/386649605.db2.gz KYSRLGIKYUMPKD-MNOVXSKESA-N 1 2 236.319 1.367 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@H+](CC2CCC2)C1 ZINC000328941320 386649613 /nfs/dbraw/zinc/64/96/13/386649613.db2.gz KYSRLGIKYUMPKD-MNOVXSKESA-N 1 2 236.319 1.367 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@@H+](CC2CCC2)C1 ZINC000328941320 386649618 /nfs/dbraw/zinc/64/96/18/386649618.db2.gz KYSRLGIKYUMPKD-MNOVXSKESA-N 1 2 236.319 1.367 20 0 BDADLO CS[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279220663 386649815 /nfs/dbraw/zinc/64/98/15/386649815.db2.gz OZBWZLCYSWVPTM-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)ncn1 ZINC000291923905 386599458 /nfs/dbraw/zinc/59/94/58/386599458.db2.gz ACYPZDXZZZLPLM-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)ncn1 ZINC000291923905 386599464 /nfs/dbraw/zinc/59/94/64/386599464.db2.gz ACYPZDXZZZLPLM-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ccc(CO)cc1NCc1[nH+]ccn1C ZINC000267950430 386601144 /nfs/dbraw/zinc/60/11/44/386601144.db2.gz WCUHEVNTHOQEOZ-UHFFFAOYSA-N 1 2 231.299 1.833 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2CCCCO2)no1 ZINC000329093181 386605727 /nfs/dbraw/zinc/60/57/27/386605727.db2.gz ALWVNZBDSXZXOR-JTQLQIEISA-N 1 2 239.319 1.772 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)O ZINC000245776271 386606264 /nfs/dbraw/zinc/60/62/64/386606264.db2.gz LNICVAIYJPZPIY-ZYHUDNBSSA-N 1 2 237.299 1.213 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)O ZINC000245776271 386606271 /nfs/dbraw/zinc/60/62/71/386606271.db2.gz LNICVAIYJPZPIY-ZYHUDNBSSA-N 1 2 237.299 1.213 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335490173 386607961 /nfs/dbraw/zinc/60/79/61/386607961.db2.gz BSYASEKRZWUMCI-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000292009979 386609064 /nfs/dbraw/zinc/60/90/64/386609064.db2.gz XTBDAYADFFLSAS-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000292009979 386609067 /nfs/dbraw/zinc/60/90/67/386609067.db2.gz XTBDAYADFFLSAS-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO CCONC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268008430 386611313 /nfs/dbraw/zinc/61/13/13/386611313.db2.gz YQVGZGNUXMFZCR-UHFFFAOYSA-N 1 2 238.291 1.250 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335492019 386611445 /nfs/dbraw/zinc/61/14/45/386611445.db2.gz RLZUYISTNWGRNR-YPMHNXCESA-N 1 2 247.342 1.702 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](O)CC2)s1 ZINC000339775581 386614139 /nfs/dbraw/zinc/61/41/39/386614139.db2.gz GETJKYHOLNATAJ-VIFPVBQESA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](O)CC2)s1 ZINC000339775581 386614144 /nfs/dbraw/zinc/61/41/44/386614144.db2.gz GETJKYHOLNATAJ-VIFPVBQESA-N 1 2 227.333 1.193 20 0 BDADLO CC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000268046792 386614573 /nfs/dbraw/zinc/61/45/73/386614573.db2.gz STBPFISEZKEXOH-NSHDSACASA-N 1 2 221.304 1.532 20 0 BDADLO C[C@@H]1OCC[C@@]1(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000278994240 386615457 /nfs/dbraw/zinc/61/54/57/386615457.db2.gz FDBHEFOPDJTIDM-TVQRCGJNSA-N 1 2 249.314 1.306 20 0 BDADLO Cc1ccoc1C[N@@H+](C)Cc1ccn(C)n1 ZINC000292071919 386615883 /nfs/dbraw/zinc/61/58/83/386615883.db2.gz COBRDQANRCHVDU-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccoc1C[N@H+](C)Cc1ccn(C)n1 ZINC000292071919 386615893 /nfs/dbraw/zinc/61/58/93/386615893.db2.gz COBRDQANRCHVDU-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000335521787 386661035 /nfs/dbraw/zinc/66/10/35/386661035.db2.gz MMGAYAOTTJJSJB-VXGBXAGGSA-N 1 2 249.358 1.952 20 0 BDADLO Cn1ccnc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000335521787 386661040 /nfs/dbraw/zinc/66/10/40/386661040.db2.gz MMGAYAOTTJJSJB-VXGBXAGGSA-N 1 2 249.358 1.952 20 0 BDADLO CN(C)c1noc(C[N@H+](C)[C@@H]2CC2(C)C)n1 ZINC000337219802 386661340 /nfs/dbraw/zinc/66/13/40/386661340.db2.gz BNLOOCLSZSKEHH-MRVPVSSYSA-N 1 2 224.308 1.366 20 0 BDADLO CN(C)c1noc(C[N@@H+](C)[C@@H]2CC2(C)C)n1 ZINC000337219802 386661344 /nfs/dbraw/zinc/66/13/44/386661344.db2.gz BNLOOCLSZSKEHH-MRVPVSSYSA-N 1 2 224.308 1.366 20 0 BDADLO COc1cc(C)[nH+]c(COn2cccn2)c1 ZINC000520377388 386661582 /nfs/dbraw/zinc/66/15/82/386661582.db2.gz HCROTFBMCXGWGC-UHFFFAOYSA-N 1 2 219.244 1.224 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000414474428 386662103 /nfs/dbraw/zinc/66/21/03/386662103.db2.gz SGGLYFXVOZOFMQ-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000414474428 386662112 /nfs/dbraw/zinc/66/21/12/386662112.db2.gz SGGLYFXVOZOFMQ-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO COCc1nsc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428128669 386665167 /nfs/dbraw/zinc/66/51/67/386665167.db2.gz CPSDJFMSSWKYKU-UHFFFAOYSA-N 1 2 239.304 1.044 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)Cc1ccn(C)n1 ZINC000335527754 386673556 /nfs/dbraw/zinc/67/35/56/386673556.db2.gz JUHCOZXWQNQGKC-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CCCC1 ZINC000279410468 386680382 /nfs/dbraw/zinc/68/03/82/386680382.db2.gz KKFZRSBSEHIARE-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1(C)CCCC1 ZINC000279410468 386680387 /nfs/dbraw/zinc/68/03/87/386680387.db2.gz KKFZRSBSEHIARE-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]CCOC2CCC2)n1 ZINC000329475021 386680901 /nfs/dbraw/zinc/68/09/01/386680901.db2.gz NQKHJCDSBZQBTR-UHFFFAOYSA-N 1 2 239.319 1.772 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@H](CO)C2)no1 ZINC000050104518 386685130 /nfs/dbraw/zinc/68/51/30/386685130.db2.gz APYVIBQXKBMJII-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@H](CO)C2)no1 ZINC000050104518 386685134 /nfs/dbraw/zinc/68/51/34/386685134.db2.gz APYVIBQXKBMJII-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C1 ZINC000279457323 386685326 /nfs/dbraw/zinc/68/53/26/386685326.db2.gz OPJUVVJFWMCUFE-MRVPVSSYSA-N 1 2 207.277 1.129 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)[nH]1 ZINC000292526960 386686160 /nfs/dbraw/zinc/68/61/60/386686160.db2.gz OSJKLHXTRMPNKB-LLVKDONJSA-N 1 2 231.303 1.778 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)[nH]1 ZINC000292526960 386686167 /nfs/dbraw/zinc/68/61/67/386686167.db2.gz OSJKLHXTRMPNKB-LLVKDONJSA-N 1 2 231.303 1.778 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000329491415 386689010 /nfs/dbraw/zinc/68/90/10/386689010.db2.gz ZHIYDHQNHIWTFE-VIFPVBQESA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOCC3(CC3)C2)o1 ZINC000329491415 386689017 /nfs/dbraw/zinc/68/90/17/386689017.db2.gz ZHIYDHQNHIWTFE-VIFPVBQESA-N 1 2 237.303 1.551 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1(C(F)F)CC1 ZINC000526936458 386702324 /nfs/dbraw/zinc/70/23/24/386702324.db2.gz OOZUPJZIBGYAGO-UHFFFAOYSA-N 1 2 243.257 1.124 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC=CCC1 ZINC000279573928 386704028 /nfs/dbraw/zinc/70/40/28/386704028.db2.gz ZQUVMBKPHMQACW-JTQLQIEISA-N 1 2 219.288 1.486 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC=CCC1 ZINC000279573928 386704031 /nfs/dbraw/zinc/70/40/31/386704031.db2.gz ZQUVMBKPHMQACW-JTQLQIEISA-N 1 2 219.288 1.486 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)n1 ZINC000268861067 386706307 /nfs/dbraw/zinc/70/63/07/386706307.db2.gz RXFXGSLYXNZGIJ-LLVKDONJSA-N 1 2 231.303 1.310 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)n1 ZINC000268861067 386706311 /nfs/dbraw/zinc/70/63/11/386706311.db2.gz RXFXGSLYXNZGIJ-LLVKDONJSA-N 1 2 231.303 1.310 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000643394946 386706554 /nfs/dbraw/zinc/70/65/54/386706554.db2.gz UYURQCQOLAHGLV-KOLCDFICSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000643394946 386706559 /nfs/dbraw/zinc/70/65/59/386706559.db2.gz UYURQCQOLAHGLV-KOLCDFICSA-N 1 2 247.302 1.583 20 0 BDADLO OC1CN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000335480359 386706864 /nfs/dbraw/zinc/70/68/64/386706864.db2.gz ZGWVKAPSAXZNSR-UHFFFAOYSA-N 1 2 218.231 1.555 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)n1 ZINC000268861069 386707693 /nfs/dbraw/zinc/70/76/93/386707693.db2.gz RXFXGSLYXNZGIJ-NSHDSACASA-N 1 2 231.303 1.310 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)n1 ZINC000268861069 386707700 /nfs/dbraw/zinc/70/77/00/386707700.db2.gz RXFXGSLYXNZGIJ-NSHDSACASA-N 1 2 231.303 1.310 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCC(C)(C)C1 ZINC000527025809 386731452 /nfs/dbraw/zinc/73/14/52/386731452.db2.gz PIQKSCGPAGZXBR-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000121991771 386732934 /nfs/dbraw/zinc/73/29/34/386732934.db2.gz BPJPXHAECPOOSI-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000121991771 386732943 /nfs/dbraw/zinc/73/29/43/386732943.db2.gz BPJPXHAECPOOSI-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(F)c[nH]1 ZINC000292844783 386734754 /nfs/dbraw/zinc/73/47/54/386734754.db2.gz RQIBVMZVIDLYHF-UHFFFAOYSA-N 1 2 236.250 1.160 20 0 BDADLO Cc1nnc(SCc2[nH+]ccn2C)s1 ZINC000248029778 386739958 /nfs/dbraw/zinc/73/99/58/386739958.db2.gz OXCUGRJKHOLGOU-UHFFFAOYSA-N 1 2 226.330 1.872 20 0 BDADLO CC[C@H]1C[N@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000296321101 386712905 /nfs/dbraw/zinc/71/29/05/386712905.db2.gz OIIDGICNKHETTG-CBAPKCEASA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000296321101 386712910 /nfs/dbraw/zinc/71/29/10/386712910.db2.gz OIIDGICNKHETTG-CBAPKCEASA-N 1 2 246.763 1.999 20 0 BDADLO FC1(C[N@@H+]2CCO[C@H](COCC3CC3)C2)CC1 ZINC000526984613 386718534 /nfs/dbraw/zinc/71/85/34/386718534.db2.gz OHJZVAYMVGISDK-LBPRGKRZSA-N 1 2 243.322 1.616 20 0 BDADLO FC1(C[N@H+]2CCO[C@H](COCC3CC3)C2)CC1 ZINC000526984613 386718538 /nfs/dbraw/zinc/71/85/38/386718538.db2.gz OHJZVAYMVGISDK-LBPRGKRZSA-N 1 2 243.322 1.616 20 0 BDADLO CCc1nc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)co1 ZINC000442816927 386718943 /nfs/dbraw/zinc/71/89/43/386718943.db2.gz YSLZMMUOSMZPFW-MRVPVSSYSA-N 1 2 248.286 1.841 20 0 BDADLO Cc1cc(C[N@H+](C)CCc2noc(C)n2)nn1C ZINC000353220147 386718945 /nfs/dbraw/zinc/71/89/45/386718945.db2.gz YIUXASCNFRESPT-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1cc(C[N@@H+](C)CCc2noc(C)n2)nn1C ZINC000353220147 386718949 /nfs/dbraw/zinc/71/89/49/386718949.db2.gz YIUXASCNFRESPT-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cn1cc(C[N@@H+]2CCSC(C)(C)C2)nn1 ZINC000335540114 386719204 /nfs/dbraw/zinc/71/92/04/386719204.db2.gz QMKZHFQUNJWAQR-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO Cn1cc(C[N@H+]2CCSC(C)(C)C2)nn1 ZINC000335540114 386719210 /nfs/dbraw/zinc/71/92/10/386719210.db2.gz QMKZHFQUNJWAQR-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000330458069 386719391 /nfs/dbraw/zinc/71/93/91/386719391.db2.gz HQFWZYDPLIXBGA-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000330458069 386719399 /nfs/dbraw/zinc/71/93/99/386719399.db2.gz HQFWZYDPLIXBGA-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO CO[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357117357 386719830 /nfs/dbraw/zinc/71/98/30/386719830.db2.gz OGGWPSRGYJDTGI-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCO2)co1 ZINC000647959844 386720775 /nfs/dbraw/zinc/72/07/75/386720775.db2.gz PUJLERAEJIDPOL-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCO2)co1 ZINC000647959844 386720783 /nfs/dbraw/zinc/72/07/83/386720783.db2.gz PUJLERAEJIDPOL-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cn[nH]c1CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352848543 386724415 /nfs/dbraw/zinc/72/44/15/386724415.db2.gz WHUJENHLFGXQDH-GXFFZTMASA-N 1 2 234.347 1.290 20 0 BDADLO Cc1cn[nH]c1CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352848543 386724420 /nfs/dbraw/zinc/72/44/20/386724420.db2.gz WHUJENHLFGXQDH-GXFFZTMASA-N 1 2 234.347 1.290 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)n1 ZINC000330466668 386725809 /nfs/dbraw/zinc/72/58/09/386725809.db2.gz RLJBCPFARDCNQA-JTQLQIEISA-N 1 2 236.319 1.825 20 0 BDADLO COc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000339864144 386727869 /nfs/dbraw/zinc/72/78/69/386727869.db2.gz CNOBRMXPIHUZTL-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1ccsc1 ZINC000348530460 386751252 /nfs/dbraw/zinc/75/12/52/386751252.db2.gz BDOVNKFSEATIMQ-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)C(=O)NC(C)(C)C ZINC000192299226 386755166 /nfs/dbraw/zinc/75/51/66/386755166.db2.gz RNDWZOAVZVPIDD-QMMMGPOBSA-N 1 2 225.292 1.067 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1nc(C(C)(C)C)no1 ZINC000608072558 386755683 /nfs/dbraw/zinc/75/56/83/386755683.db2.gz UTNODCNJKPEEIR-QMMMGPOBSA-N 1 2 249.318 1.941 20 0 BDADLO NCC(F)(F)C[NH2+][C@@H]1CCCSC1 ZINC000414931026 386756581 /nfs/dbraw/zinc/75/65/81/386756581.db2.gz QGTGUNJJUHACAP-SSDOTTSWSA-N 1 2 210.293 1.066 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@]12CCOC2 ZINC000357323555 386758780 /nfs/dbraw/zinc/75/87/80/386758780.db2.gz YOICBKORDQVMFU-CYBMUJFWSA-N 1 2 249.314 1.055 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2(C)CC2)c[nH+]1 ZINC000279958494 386758858 /nfs/dbraw/zinc/75/88/58/386758858.db2.gz KHWRZNFFSVTCNM-UHFFFAOYSA-N 1 2 207.277 1.638 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000292988663 386761903 /nfs/dbraw/zinc/76/19/03/386761903.db2.gz LWSNVFHDEDQPKH-BDAKNGLRSA-N 1 2 221.304 1.585 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000292988663 386761906 /nfs/dbraw/zinc/76/19/06/386761906.db2.gz LWSNVFHDEDQPKH-BDAKNGLRSA-N 1 2 221.304 1.585 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)C(C)(F)F ZINC000293007201 386763352 /nfs/dbraw/zinc/76/33/52/386763352.db2.gz GRMCEGBUQJKEPR-ZETCQYMHSA-N 1 2 231.246 1.328 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000643396994 386741228 /nfs/dbraw/zinc/74/12/28/386741228.db2.gz REINRKQNAXLENM-SNVBAGLBSA-N 1 2 247.302 1.276 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000643396994 386741234 /nfs/dbraw/zinc/74/12/34/386741234.db2.gz REINRKQNAXLENM-SNVBAGLBSA-N 1 2 247.302 1.276 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@@]1(C)CC ZINC000417987567 386789592 /nfs/dbraw/zinc/78/95/92/386789592.db2.gz GPRXFLCCWDMYHD-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@@]1(C)CC ZINC000417987567 386789596 /nfs/dbraw/zinc/78/95/96/386789596.db2.gz GPRXFLCCWDMYHD-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC[C@@]1(C)CC ZINC000417987567 386789605 /nfs/dbraw/zinc/78/96/05/386789605.db2.gz GPRXFLCCWDMYHD-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CCN1Cc1c[nH+]c[nH]1 ZINC000280220075 386791431 /nfs/dbraw/zinc/79/14/31/386791431.db2.gz LEJNPGLVQXJPTD-MWLCHTKSSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CCN1Cc1c[nH]c[nH+]1 ZINC000280220075 386791438 /nfs/dbraw/zinc/79/14/38/386791438.db2.gz LEJNPGLVQXJPTD-MWLCHTKSSA-N 1 2 237.303 1.183 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125323646 386792376 /nfs/dbraw/zinc/79/23/76/386792376.db2.gz XOCZNPHODSGPCB-BDAKNGLRSA-N 1 2 223.276 1.156 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@H](C)COC ZINC000340883388 386795093 /nfs/dbraw/zinc/79/50/93/386795093.db2.gz TYGPGDPHSWVTND-JTQLQIEISA-N 1 2 236.315 1.677 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@@H](C)COC ZINC000340883392 386795819 /nfs/dbraw/zinc/79/58/19/386795819.db2.gz TYGPGDPHSWVTND-SNVBAGLBSA-N 1 2 236.315 1.677 20 0 BDADLO COc1ccc(F)c(C[NH2+]Cc2nccn2C)c1 ZINC000645151960 386770497 /nfs/dbraw/zinc/77/04/97/386770497.db2.gz VFSIXCDDBPKWJP-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO COC[C@H]([NH2+]Cc1cc(C)ncn1)c1ccco1 ZINC000293071673 386773736 /nfs/dbraw/zinc/77/37/36/386773736.db2.gz HCAWBPBCUHSZQY-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO CCc1cc(NCc2c[nH+]cn2CC)n(C)n1 ZINC000417976811 386776106 /nfs/dbraw/zinc/77/61/06/386776106.db2.gz YZKACVAVQRQONR-UHFFFAOYSA-N 1 2 233.319 1.811 20 0 BDADLO CC(=O)CCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000357642104 386820356 /nfs/dbraw/zinc/82/03/56/386820356.db2.gz AXTWLASDQDPXLF-UHFFFAOYSA-N 1 2 237.303 1.138 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000249263600 386823598 /nfs/dbraw/zinc/82/35/98/386823598.db2.gz HOJKTGIQLHIUCV-WOPDTQHZSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000344907468 386798091 /nfs/dbraw/zinc/79/80/91/386798091.db2.gz DDBUHGFBYMGVQF-ZETCQYMHSA-N 1 2 247.302 1.170 20 0 BDADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000344907468 386798094 /nfs/dbraw/zinc/79/80/94/386798094.db2.gz DDBUHGFBYMGVQF-ZETCQYMHSA-N 1 2 247.302 1.170 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C)n1C1CC1 ZINC000340937834 386801791 /nfs/dbraw/zinc/80/17/91/386801791.db2.gz JNENCLZPYXFLQP-UHFFFAOYSA-N 1 2 238.335 1.390 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C)n1C1CC1 ZINC000340937834 386801798 /nfs/dbraw/zinc/80/17/98/386801798.db2.gz JNENCLZPYXFLQP-UHFFFAOYSA-N 1 2 238.335 1.390 20 0 BDADLO CCCCC[N@H+](Cc1nnn(C)n1)C(C)C ZINC000192968025 386803775 /nfs/dbraw/zinc/80/37/75/386803775.db2.gz VWNYBTIOXNPZLX-UHFFFAOYSA-N 1 2 225.340 1.611 20 0 BDADLO CCCCC[N@@H+](Cc1nnn(C)n1)C(C)C ZINC000192968025 386803781 /nfs/dbraw/zinc/80/37/81/386803781.db2.gz VWNYBTIOXNPZLX-UHFFFAOYSA-N 1 2 225.340 1.611 20 0 BDADLO c1cnc(CCNc2cc[nH+]c(C3CC3)n2)cn1 ZINC000340950526 386804072 /nfs/dbraw/zinc/80/40/72/386804072.db2.gz ILWHQQJIWINGGY-UHFFFAOYSA-N 1 2 241.298 1.221 20 0 BDADLO C[N@H+](Cc1nnnn1CC(F)(F)F)C1CCC1 ZINC000190916099 386811920 /nfs/dbraw/zinc/81/19/20/386811920.db2.gz FOPJGMCLFQNOHM-UHFFFAOYSA-N 1 2 249.240 1.220 20 0 BDADLO C[N@@H+](Cc1nnnn1CC(F)(F)F)C1CCC1 ZINC000190916099 386811924 /nfs/dbraw/zinc/81/19/24/386811924.db2.gz FOPJGMCLFQNOHM-UHFFFAOYSA-N 1 2 249.240 1.220 20 0 BDADLO CC(C)c1nc(C[NH2+]C(C)(C)C(C)(C)O)no1 ZINC000330657226 386812812 /nfs/dbraw/zinc/81/28/12/386812812.db2.gz RFFSJNGVMFNXLI-UHFFFAOYSA-N 1 2 241.335 1.832 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cc(C)ncn1 ZINC000645169679 386828080 /nfs/dbraw/zinc/82/80/80/386828080.db2.gz PFNYIWISVDBITP-UHFFFAOYSA-N 1 2 232.287 1.625 20 0 BDADLO Cc1cc(N(C)Cc2ccncc2)nc[nH+]1 ZINC000301257285 386828947 /nfs/dbraw/zinc/82/89/47/386828947.db2.gz REVRWGPNMMVPNI-UHFFFAOYSA-N 1 2 214.272 1.816 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N3CCC3)cc2n1C ZINC000334778324 386831303 /nfs/dbraw/zinc/83/13/03/386831303.db2.gz VROKTZXUIGLHLY-UHFFFAOYSA-N 1 2 229.283 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc(C)c1O ZINC000366554701 386831528 /nfs/dbraw/zinc/83/15/28/386831528.db2.gz BSUPGDJLLJIMSM-QWHCGFSZSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc(C)c1O ZINC000366554701 386831535 /nfs/dbraw/zinc/83/15/35/386831535.db2.gz BSUPGDJLLJIMSM-QWHCGFSZSA-N 1 2 233.311 1.982 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280730774 386841499 /nfs/dbraw/zinc/84/14/99/386841499.db2.gz IPEPJGJPZMQLMC-MRVPVSSYSA-N 1 2 219.244 1.308 20 0 BDADLO CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(COC)no1 ZINC000330262260 386842908 /nfs/dbraw/zinc/84/29/08/386842908.db2.gz UTFBGZKHCUUEOF-IUCAKERBSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(COC)no1 ZINC000330262260 386842912 /nfs/dbraw/zinc/84/29/12/386842912.db2.gz UTFBGZKHCUUEOF-IUCAKERBSA-N 1 2 225.292 1.761 20 0 BDADLO C[C@@H]1C[N@H+](CC2=CCCCC2)CC[S@@]1=O ZINC000334790104 386853717 /nfs/dbraw/zinc/85/37/17/386853717.db2.gz LDXUBSSEBSQQNB-ABAIWWIYSA-N 1 2 227.373 1.940 20 0 BDADLO C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[S@@]1=O ZINC000334790104 386853719 /nfs/dbraw/zinc/85/37/19/386853719.db2.gz LDXUBSSEBSQQNB-ABAIWWIYSA-N 1 2 227.373 1.940 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398596263 386848608 /nfs/dbraw/zinc/84/86/08/386848608.db2.gz BYYAKJSLQNCHLM-SDDRHHMPSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398596263 386848616 /nfs/dbraw/zinc/84/86/16/386848616.db2.gz BYYAKJSLQNCHLM-SDDRHHMPSA-N 1 2 243.347 1.827 20 0 BDADLO CC(=O)NCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301534770 386853794 /nfs/dbraw/zinc/85/37/94/386853794.db2.gz QLKUDPUSTWSULR-UHFFFAOYSA-N 1 2 236.319 1.322 20 0 BDADLO CN(Cc1ccc[nH]1)Cc1c[nH+]c(N(C)C)n1C ZINC000425336088 386850070 /nfs/dbraw/zinc/85/00/70/386850070.db2.gz KPTQNMKKEJPSLS-UHFFFAOYSA-N 1 2 247.346 1.446 20 0 BDADLO Cc1cnn([C@@H]2CCN(c3cc(C)[nH+]cn3)C2)c1 ZINC000357829396 386850913 /nfs/dbraw/zinc/85/09/13/386850913.db2.gz SAYQWDFIVGZZNW-GFCCVEGCSA-N 1 2 243.314 1.741 20 0 BDADLO C[C@@H](CSc1n[n-]c(=[NH2+])n1C1CC1)[NH+](C)C ZINC000331749501 386892564 /nfs/dbraw/zinc/89/25/64/386892564.db2.gz FRZPBMKBPUEDFK-ZETCQYMHSA-N 1 2 241.364 1.068 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000341187650 386858367 /nfs/dbraw/zinc/85/83/67/386858367.db2.gz CVOZODHNHFRNED-LBPRGKRZSA-N 1 2 246.314 1.028 20 0 BDADLO COC(=O)[C@@]1(C)CCN(c2cc(C)[nH+]cn2)C1 ZINC000301646627 386863419 /nfs/dbraw/zinc/86/34/19/386863419.db2.gz OBQJMDDVIFHKSB-LBPRGKRZSA-N 1 2 235.287 1.174 20 0 BDADLO Cc1nocc1CN(C)Cc1[nH+]ccn1C ZINC000293696219 386863839 /nfs/dbraw/zinc/86/38/39/386863839.db2.gz SSHPINAFKWDCCJ-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cn1c[nH+]cc1Cn1cnc(-c2ccccc2)n1 ZINC000341297395 386866216 /nfs/dbraw/zinc/86/62/16/386866216.db2.gz JWKCVYFHJFDBEM-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334831008 386867323 /nfs/dbraw/zinc/86/73/23/386867323.db2.gz WGHWXEFNTAJGRC-SECBINFHSA-N 1 2 230.308 1.622 20 0 BDADLO Cc1ncsc1C[N@H+]1CCO[C@H](CF)C1 ZINC000334831008 386867326 /nfs/dbraw/zinc/86/73/26/386867326.db2.gz WGHWXEFNTAJGRC-SECBINFHSA-N 1 2 230.308 1.622 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ncc(C)s1 ZINC000293736907 386869059 /nfs/dbraw/zinc/86/90/59/386869059.db2.gz ZSKQFPRMADXUJN-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ncc(C)s1 ZINC000293736907 386869061 /nfs/dbraw/zinc/86/90/61/386869061.db2.gz ZSKQFPRMADXUJN-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO FC1(F)CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000334831417 386869200 /nfs/dbraw/zinc/86/92/00/386869200.db2.gz SFCRDXFBSMCUET-VIFPVBQESA-N 1 2 205.248 1.754 20 0 BDADLO FC1(F)CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000334831417 386869204 /nfs/dbraw/zinc/86/92/04/386869204.db2.gz SFCRDXFBSMCUET-VIFPVBQESA-N 1 2 205.248 1.754 20 0 BDADLO Cc1cc(N(C)C[C@H](C)O)nc(C(C)C)[nH+]1 ZINC000051820926 386873459 /nfs/dbraw/zinc/87/34/59/386873459.db2.gz KXFLFBSUSCTXOK-JTQLQIEISA-N 1 2 223.320 1.725 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C)no2)CCCO1 ZINC000331603644 386874455 /nfs/dbraw/zinc/87/44/55/386874455.db2.gz HWCIXUWBOORCRN-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C)no2)CCCO1 ZINC000331603644 386874461 /nfs/dbraw/zinc/87/44/61/386874461.db2.gz HWCIXUWBOORCRN-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CC[C@@H](C)C2 ZINC000334835088 386876859 /nfs/dbraw/zinc/87/68/59/386876859.db2.gz CZRKJOQCULIFMV-SKDRFNHKSA-N 1 2 210.321 1.733 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352885625 386880413 /nfs/dbraw/zinc/88/04/13/386880413.db2.gz OMCLKOQXCROVNB-ZVXAKGHKSA-N 1 2 235.368 1.966 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352885625 386880419 /nfs/dbraw/zinc/88/04/19/386880419.db2.gz OMCLKOQXCROVNB-ZVXAKGHKSA-N 1 2 235.368 1.966 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC000335756293 386884882 /nfs/dbraw/zinc/88/48/82/386884882.db2.gz VFGFARNBWFIQSU-NSHDSACASA-N 1 2 247.342 1.926 20 0 BDADLO CC(C)(C)n1ncc2c1ncnc2-n1cc[nH+]c1 ZINC000301885234 386886958 /nfs/dbraw/zinc/88/69/58/386886958.db2.gz LUKYSSRLPSXHQE-UHFFFAOYSA-N 1 2 242.286 1.767 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000336762321 386915120 /nfs/dbraw/zinc/91/51/20/386915120.db2.gz NSAQXMOHHOXXOE-YUMQZZPRSA-N 1 2 213.281 1.454 20 0 BDADLO CCN(CC)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367920961 386918828 /nfs/dbraw/zinc/91/88/28/386918828.db2.gz MQJAHSKIHFHTCF-CHWSQXEVSA-N 1 2 241.379 1.038 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000334848589 386897228 /nfs/dbraw/zinc/89/72/28/386897228.db2.gz MPGUYCXYNNQZHX-OLZOCXBDSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000334848589 386897232 /nfs/dbraw/zinc/89/72/32/386897232.db2.gz MPGUYCXYNNQZHX-OLZOCXBDSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc(CCC[N@@H+](C)Cc2nnc[nH]2)cn1 ZINC000353659447 386897611 /nfs/dbraw/zinc/89/76/11/386897611.db2.gz KYJMXIYFNOZTAB-UHFFFAOYSA-N 1 2 245.330 1.573 20 0 BDADLO Cc1ccc(CCC[N@H+](C)Cc2nnc[nH]2)cn1 ZINC000353659447 386897614 /nfs/dbraw/zinc/89/76/14/386897614.db2.gz KYJMXIYFNOZTAB-UHFFFAOYSA-N 1 2 245.330 1.573 20 0 BDADLO Clc1ncccc1C[NH+]1CC2(C1)CCOC2 ZINC000293894154 386897779 /nfs/dbraw/zinc/89/77/79/386897779.db2.gz DYGYBCPFAGUWQH-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO Cn1c[nH+]cc1CSc1nc2c([nH]1)CCC2 ZINC000335760930 386898976 /nfs/dbraw/zinc/89/89/76/386898976.db2.gz WNLLIDSMKUKDCV-UHFFFAOYSA-N 1 2 234.328 1.924 20 0 BDADLO Cc1csc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000334851649 386900661 /nfs/dbraw/zinc/90/06/61/386900661.db2.gz YDDMTHQVMPTFSM-DTORHVGOSA-N 1 2 239.344 1.873 20 0 BDADLO Cc1csc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000334851649 386900664 /nfs/dbraw/zinc/90/06/64/386900664.db2.gz YDDMTHQVMPTFSM-DTORHVGOSA-N 1 2 239.344 1.873 20 0 BDADLO CC(C)[C@](C)(CO)[NH2+]Cc1noc(C2CC2)n1 ZINC000352889881 386903681 /nfs/dbraw/zinc/90/36/81/386903681.db2.gz BGXMIBOPNDVJBK-LBPRGKRZSA-N 1 2 239.319 1.444 20 0 BDADLO CC(C)c1nc(NCCCn2ccnn2)cc[nH+]1 ZINC000302122011 386905197 /nfs/dbraw/zinc/90/51/97/386905197.db2.gz DPTUOZLYKZJIFT-UHFFFAOYSA-N 1 2 246.318 1.694 20 0 BDADLO O[C@]1(C2CC2)CCN(c2cccc[nH+]2)C1 ZINC000335764563 386906026 /nfs/dbraw/zinc/90/60/26/386906026.db2.gz ZJRYZIDEYFRPGN-GFCCVEGCSA-N 1 2 204.273 1.433 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CCOC1 ZINC000330852197 386912490 /nfs/dbraw/zinc/91/24/90/386912490.db2.gz NXTKAVFDSTYGAX-SNVBAGLBSA-N 1 2 234.299 1.431 20 0 BDADLO CCC[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000418014599 386924678 /nfs/dbraw/zinc/92/46/78/386924678.db2.gz UZRFJFOOGBTJNB-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@@H](F)C1)C1CCCCC1 ZINC000334818571 386947381 /nfs/dbraw/zinc/94/73/81/386947381.db2.gz MSNMUDYWPWBHGF-LLVKDONJSA-N 1 2 242.338 1.821 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@@H](F)C1)C1CCCCC1 ZINC000334818571 386947388 /nfs/dbraw/zinc/94/73/88/386947388.db2.gz MSNMUDYWPWBHGF-LLVKDONJSA-N 1 2 242.338 1.821 20 0 BDADLO O=C1N=NC(C[N@@H+]2CCC[C@@H](C3CC3)C2)S1 ZINC000367987515 386926464 /nfs/dbraw/zinc/92/64/64/386926464.db2.gz FJFBEBUREPHWOD-SECBINFHSA-N 1 2 239.344 1.866 20 0 BDADLO O=C1N=NC(C[N@H+]2CCC[C@@H](C3CC3)C2)S1 ZINC000367987515 386926469 /nfs/dbraw/zinc/92/64/69/386926469.db2.gz FJFBEBUREPHWOD-SECBINFHSA-N 1 2 239.344 1.866 20 0 BDADLO CO[C@H]1CCC[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000341603392 386931550 /nfs/dbraw/zinc/93/15/50/386931550.db2.gz AEUQOINTTMXRRX-ONGXEEELSA-N 1 2 237.303 1.263 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCOCC[C@H]2C)nn1 ZINC000368131192 386944577 /nfs/dbraw/zinc/94/45/77/386944577.db2.gz KCPYJQQKMXMJLY-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCOCC[C@H]2C)nn1 ZINC000368131192 386944580 /nfs/dbraw/zinc/94/45/80/386944580.db2.gz KCPYJQQKMXMJLY-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)NC1CCCCCC1 ZINC000334818397 386945216 /nfs/dbraw/zinc/94/52/16/386945216.db2.gz LJACDCAESRYGTE-NSHDSACASA-N 1 2 242.338 1.869 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC1CCCCCC1 ZINC000334818397 386945219 /nfs/dbraw/zinc/94/52/19/386945219.db2.gz LJACDCAESRYGTE-NSHDSACASA-N 1 2 242.338 1.869 20 0 BDADLO CC(C)(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368742895 387007162 /nfs/dbraw/zinc/00/71/62/387007162.db2.gz QULZLIGUSGTOIC-UHFFFAOYSA-N 1 2 249.358 1.924 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnn[nH]2)CCS1 ZINC000334823973 386953773 /nfs/dbraw/zinc/95/37/73/386953773.db2.gz WETJGGIOAQJTLZ-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000334823973 386953777 /nfs/dbraw/zinc/95/37/77/386953777.db2.gz WETJGGIOAQJTLZ-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c[nH]nn2)CCS1 ZINC000334823973 386953781 /nfs/dbraw/zinc/95/37/81/386953781.db2.gz WETJGGIOAQJTLZ-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000334823973 386953785 /nfs/dbraw/zinc/95/37/85/386953785.db2.gz WETJGGIOAQJTLZ-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)CCS1 ZINC000334823973 386953787 /nfs/dbraw/zinc/95/37/87/386953787.db2.gz WETJGGIOAQJTLZ-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)CCS1 ZINC000334823973 386953792 /nfs/dbraw/zinc/95/37/92/386953792.db2.gz WETJGGIOAQJTLZ-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000368265632 386954697 /nfs/dbraw/zinc/95/46/97/386954697.db2.gz JPNZQUIHMRCFCD-ZYHUDNBSSA-N 1 2 248.330 1.504 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@]12CCC(C)(C)C2 ZINC000334826218 386957889 /nfs/dbraw/zinc/95/78/89/386957889.db2.gz OCHDUHKHCQYNTD-LBPRGKRZSA-N 1 2 210.321 1.735 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@]12CCC(C)(C)C2 ZINC000334826218 386957893 /nfs/dbraw/zinc/95/78/93/386957893.db2.gz OCHDUHKHCQYNTD-LBPRGKRZSA-N 1 2 210.321 1.735 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000334885513 386958119 /nfs/dbraw/zinc/95/81/19/386958119.db2.gz LKKDMPVBOAKSSJ-YUMQZZPRSA-N 1 2 239.344 1.942 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000334885513 386958124 /nfs/dbraw/zinc/95/81/24/386958124.db2.gz LKKDMPVBOAKSSJ-YUMQZZPRSA-N 1 2 239.344 1.942 20 0 BDADLO CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000368329874 386959852 /nfs/dbraw/zinc/95/98/52/386959852.db2.gz LDGDHQBLKHNMQH-BFHYXJOUSA-N 1 2 233.311 1.847 20 0 BDADLO CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000368329874 386959856 /nfs/dbraw/zinc/95/98/56/386959856.db2.gz LDGDHQBLKHNMQH-BFHYXJOUSA-N 1 2 233.311 1.847 20 0 BDADLO CC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000639861309 386959914 /nfs/dbraw/zinc/95/99/14/386959914.db2.gz AOZNOCTWDNARIV-UHFFFAOYSA-N 1 2 223.316 1.466 20 0 BDADLO CC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000639861309 386959919 /nfs/dbraw/zinc/95/99/19/386959919.db2.gz AOZNOCTWDNARIV-UHFFFAOYSA-N 1 2 223.316 1.466 20 0 BDADLO C[N@H+](Cc1cscn1)[C@H]1CCCOC1 ZINC000334888740 386960695 /nfs/dbraw/zinc/96/06/95/386960695.db2.gz PWJXBVLKOZHDET-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO C[N@@H+](Cc1cscn1)[C@H]1CCCOC1 ZINC000334888740 386960697 /nfs/dbraw/zinc/96/06/97/386960697.db2.gz PWJXBVLKOZHDET-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO COC(=O)CC[N@H+](CC(F)F)CC1CCC1 ZINC000341753517 386960946 /nfs/dbraw/zinc/96/09/46/386960946.db2.gz GSBMPALNORHZDO-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO COC(=O)CC[N@@H+](CC(F)F)CC1CCC1 ZINC000341753517 386960953 /nfs/dbraw/zinc/96/09/53/386960953.db2.gz GSBMPALNORHZDO-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO COCc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368342184 386963086 /nfs/dbraw/zinc/96/30/86/386963086.db2.gz XUKXAZRVMHXZQL-KGLIPLIRSA-N 1 2 233.311 1.806 20 0 BDADLO COCc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368342184 386963090 /nfs/dbraw/zinc/96/30/90/386963090.db2.gz XUKXAZRVMHXZQL-KGLIPLIRSA-N 1 2 233.311 1.806 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@H](O)CC1CCCC1 ZINC000332295528 386969182 /nfs/dbraw/zinc/96/91/82/386969182.db2.gz IJWRBBIOPAHINP-LLVKDONJSA-N 1 2 238.335 1.178 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@H](O)CC1CCCC1 ZINC000332295528 386969186 /nfs/dbraw/zinc/96/91/86/386969186.db2.gz IJWRBBIOPAHINP-LLVKDONJSA-N 1 2 238.335 1.178 20 0 BDADLO C[C@@]1(CNC(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000332348566 386971021 /nfs/dbraw/zinc/97/10/21/386971021.db2.gz UWTZZVZYFDCSRI-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@]1(CNC(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000332348564 386971104 /nfs/dbraw/zinc/97/11/04/386971104.db2.gz UWTZZVZYFDCSRI-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)C1(CO)CC1 ZINC000353026487 386978450 /nfs/dbraw/zinc/97/84/50/386978450.db2.gz VONBFWWUPUZKEJ-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)C1(CO)CC1 ZINC000353026487 386978458 /nfs/dbraw/zinc/97/84/58/386978458.db2.gz VONBFWWUPUZKEJ-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO Cn1cc(C[NH2+]C2(c3ccccc3F)CC2)nn1 ZINC000341854460 386979182 /nfs/dbraw/zinc/97/91/82/386979182.db2.gz CAIGWMCQUBJRRX-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO Cc1ccc(Cc2nc(N(C)C)no2)c[nH+]1 ZINC000358575451 386982108 /nfs/dbraw/zinc/98/21/08/386982108.db2.gz JAYSRSLLZVHFNE-UHFFFAOYSA-N 1 2 218.260 1.430 20 0 BDADLO CC(C)CCC[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000331198694 386986680 /nfs/dbraw/zinc/98/66/80/386986680.db2.gz TYFOBXRHKCVBDN-SNVBAGLBSA-N 1 2 214.309 1.659 20 0 BDADLO CC(C)CCC[N@H+]1CCOC[C@@H]1C(N)=O ZINC000331198694 386986686 /nfs/dbraw/zinc/98/66/86/386986686.db2.gz TYFOBXRHKCVBDN-SNVBAGLBSA-N 1 2 214.309 1.659 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000528472690 386988798 /nfs/dbraw/zinc/98/87/98/386988798.db2.gz FQOAQHXKOQMIDN-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cnccc1C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000528472690 386988800 /nfs/dbraw/zinc/98/88/00/386988800.db2.gz FQOAQHXKOQMIDN-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO CC(C)c1nnc(C[NH+]2[C@H](C)C[C@H]2C)[nH]1 ZINC000334915514 386990404 /nfs/dbraw/zinc/99/04/04/386990404.db2.gz PNGGSRQCCQQVDQ-RKDXNWHRSA-N 1 2 208.309 1.911 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](CO)C2)s1 ZINC000358627342 386990487 /nfs/dbraw/zinc/99/04/87/386990487.db2.gz VXZJOGWXYNGBLR-SECBINFHSA-N 1 2 227.333 1.051 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](CO)C2)s1 ZINC000358627342 386990493 /nfs/dbraw/zinc/99/04/93/386990493.db2.gz VXZJOGWXYNGBLR-SECBINFHSA-N 1 2 227.333 1.051 20 0 BDADLO CC[C@H](SC)C(=O)NCc1c[nH+]c[nH]1 ZINC000331222040 386992604 /nfs/dbraw/zinc/99/26/04/386992604.db2.gz BIEOMLBIUKQWIL-QMMMGPOBSA-N 1 2 213.306 1.168 20 0 BDADLO CC[C@H](SC)C(=O)NCc1c[nH]c[nH+]1 ZINC000331222040 386992607 /nfs/dbraw/zinc/99/26/07/386992607.db2.gz BIEOMLBIUKQWIL-QMMMGPOBSA-N 1 2 213.306 1.168 20 0 BDADLO C#CC[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121525129 386992952 /nfs/dbraw/zinc/99/29/52/386992952.db2.gz BGOHBGLMYVDXTO-NSHDSACASA-N 1 2 223.316 1.816 20 0 BDADLO C#CC[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121525129 386992957 /nfs/dbraw/zinc/99/29/57/386992957.db2.gz BGOHBGLMYVDXTO-NSHDSACASA-N 1 2 223.316 1.816 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC2(C)C)c[nH+]1 ZINC000334917859 386994030 /nfs/dbraw/zinc/99/40/30/386994030.db2.gz JPLAVHLRTQYUEX-SECBINFHSA-N 1 2 223.276 1.015 20 0 BDADLO CC[C@H]1NC(=O)N(Cc2ccc(C)[nH+]c2C)C1=O ZINC000358678954 386995251 /nfs/dbraw/zinc/99/52/51/386995251.db2.gz HZOYGABNQPEJDK-LLVKDONJSA-N 1 2 247.298 1.529 20 0 BDADLO c1ccc(OCC[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368638104 386995854 /nfs/dbraw/zinc/99/58/54/386995854.db2.gz MCWKSHGNZQAKFP-OLZOCXBDSA-N 1 2 219.284 1.539 20 0 BDADLO c1ccc(OCC[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368638104 386995857 /nfs/dbraw/zinc/99/58/57/386995857.db2.gz MCWKSHGNZQAKFP-OLZOCXBDSA-N 1 2 219.284 1.539 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nncn1C ZINC000519047569 386996173 /nfs/dbraw/zinc/99/61/73/386996173.db2.gz DVDUFFDNBOTGKY-SFYZADRCSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nncn1C ZINC000519047569 386996178 /nfs/dbraw/zinc/99/61/78/386996178.db2.gz DVDUFFDNBOTGKY-SFYZADRCSA-N 1 2 248.252 1.588 20 0 BDADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711260 387003286 /nfs/dbraw/zinc/00/32/86/387003286.db2.gz PBAQTDZQKOBTES-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@H]1[C@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711260 387003289 /nfs/dbraw/zinc/00/32/89/387003289.db2.gz PBAQTDZQKOBTES-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO Cn1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)n1 ZINC000353034074 387005994 /nfs/dbraw/zinc/00/59/94/387005994.db2.gz KTXRTGHUXKPVGB-LBPRGKRZSA-N 1 2 245.330 1.395 20 0 BDADLO CCn1ncnc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248821946 386948945 /nfs/dbraw/zinc/94/89/45/386948945.db2.gz XMYOIJPKXMVCJK-JGPRNRPPSA-N 1 2 238.335 1.032 20 0 BDADLO CCn1ncnc1C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248821946 386948949 /nfs/dbraw/zinc/94/89/49/386948949.db2.gz XMYOIJPKXMVCJK-JGPRNRPPSA-N 1 2 238.335 1.032 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000331054468 386950443 /nfs/dbraw/zinc/95/04/43/386950443.db2.gz KAFNNGUSRSCIMP-SCZZXKLOSA-N 1 2 225.292 1.087 20 0 BDADLO Cc1cc(NC(=O)CCc2ccncn2)cc[nH+]1 ZINC000191693892 387050620 /nfs/dbraw/zinc/05/06/20/387050620.db2.gz OVJRLPFBFBGJMF-UHFFFAOYSA-N 1 2 242.282 1.751 20 0 BDADLO CCCCCOCC(=O)NCc1c[nH+]c[nH]1 ZINC000359123666 387057447 /nfs/dbraw/zinc/05/74/47/387057447.db2.gz IPWGQLJNAVUXTN-UHFFFAOYSA-N 1 2 225.292 1.233 20 0 BDADLO CCCCCOCC(=O)NCc1c[nH]c[nH+]1 ZINC000359123666 387057451 /nfs/dbraw/zinc/05/74/51/387057451.db2.gz IPWGQLJNAVUXTN-UHFFFAOYSA-N 1 2 225.292 1.233 20 0 BDADLO Cc1cc(C[NH+]2CC(n3ccnn3)C2)cs1 ZINC000336225993 387065500 /nfs/dbraw/zinc/06/55/00/387065500.db2.gz HNFASJKXUKCXCG-UHFFFAOYSA-N 1 2 234.328 1.705 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368787262 387009810 /nfs/dbraw/zinc/00/98/10/387009810.db2.gz UNXFDDQRVUQUFP-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368787262 387009812 /nfs/dbraw/zinc/00/98/12/387009812.db2.gz UNXFDDQRVUQUFP-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO CS(=O)(=O)C1C[NH+](C[C@H]2CC=CCC2)C1 ZINC000334935726 387012754 /nfs/dbraw/zinc/01/27/54/387012754.db2.gz OMQNLNHSVZERDR-JTQLQIEISA-N 1 2 229.345 1.072 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)no1 ZINC000333048755 387014210 /nfs/dbraw/zinc/01/42/10/387014210.db2.gz GFUVWPIPVMUEGN-ZJUUUORDSA-N 1 2 237.303 1.235 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)no1 ZINC000333048755 387014219 /nfs/dbraw/zinc/01/42/19/387014219.db2.gz GFUVWPIPVMUEGN-ZJUUUORDSA-N 1 2 237.303 1.235 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc(C)nn2C)CCO1 ZINC000334939999 387017628 /nfs/dbraw/zinc/01/76/28/387017628.db2.gz IUQNKCQXOMYVFW-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc(C)nn2C)CCO1 ZINC000334939999 387017630 /nfs/dbraw/zinc/01/76/30/387017630.db2.gz IUQNKCQXOMYVFW-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO C[N@H+](Cc1nc(-c2ccoc2)no1)[C@H]1CCOC1 ZINC000106885761 387026509 /nfs/dbraw/zinc/02/65/09/387026509.db2.gz BZCZHHMSZRRFQK-JTQLQIEISA-N 1 2 249.270 1.550 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccoc2)no1)[C@H]1CCOC1 ZINC000106885761 387026512 /nfs/dbraw/zinc/02/65/12/387026512.db2.gz BZCZHHMSZRRFQK-JTQLQIEISA-N 1 2 249.270 1.550 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccc(C)cn2)C1 ZINC000425369617 387026546 /nfs/dbraw/zinc/02/65/46/387026546.db2.gz AFIBHLGPNUFWIW-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO CC(C)[N@@H+](Cc1noc(C2CC2)n1)C[C@H](C)O ZINC000107043466 387027592 /nfs/dbraw/zinc/02/75/92/387027592.db2.gz FSRHVWGRYLXWRV-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)[N@H+](Cc1noc(C2CC2)n1)C[C@H](C)O ZINC000107043466 387027596 /nfs/dbraw/zinc/02/75/96/387027596.db2.gz FSRHVWGRYLXWRV-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO Cc1cc(CNC(=O)NC(C)C)cc(C)[nH+]1 ZINC000334985463 387073268 /nfs/dbraw/zinc/07/32/68/387073268.db2.gz DBDDVAIPIYVNMC-UHFFFAOYSA-N 1 2 221.304 1.906 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186153526 387074632 /nfs/dbraw/zinc/07/46/32/387074632.db2.gz BTKXWXIFSSFUFZ-CYBMUJFWSA-N 1 2 243.306 1.849 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186153526 387074638 /nfs/dbraw/zinc/07/46/38/387074638.db2.gz BTKXWXIFSSFUFZ-CYBMUJFWSA-N 1 2 243.306 1.849 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC12CCC(CC1)C2 ZINC000369914903 387077845 /nfs/dbraw/zinc/07/78/45/387077845.db2.gz ZCLRLYBKIPBREM-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C)nn1C)C(F)F ZINC000418073345 387080469 /nfs/dbraw/zinc/08/04/69/387080469.db2.gz CKSGPVLQRFOWKN-SECBINFHSA-N 1 2 217.263 1.862 20 0 BDADLO CCC[C@H](C)C[NH+]1CC(S(=O)(=O)CC)C1 ZINC000418068323 387083645 /nfs/dbraw/zinc/08/36/45/387083645.db2.gz CWIXKOLDSVJYCZ-JTQLQIEISA-N 1 2 233.377 1.542 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCC(C)C)C1 ZINC000418071902 387084186 /nfs/dbraw/zinc/08/41/86/387084186.db2.gz JSAUGGJZYFKGGM-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1C[C@@H]1COCCO1 ZINC000336256485 387086728 /nfs/dbraw/zinc/08/67/28/387086728.db2.gz BVZHHVOAEKAPHU-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1C[C@@H]1COCCO1 ZINC000336256485 387086732 /nfs/dbraw/zinc/08/67/32/387086732.db2.gz BVZHHVOAEKAPHU-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)NC1CCCCC1 ZINC000336259541 387089416 /nfs/dbraw/zinc/08/94/16/387089416.db2.gz KSEWDZAXJZWFEV-JTQLQIEISA-N 1 2 228.311 1.479 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC1CCCCC1 ZINC000336259541 387089418 /nfs/dbraw/zinc/08/94/18/387089418.db2.gz KSEWDZAXJZWFEV-JTQLQIEISA-N 1 2 228.311 1.479 20 0 BDADLO C[N@H+](CC(=O)NCC1CCC1)Cc1cccnc1 ZINC000119013843 387090583 /nfs/dbraw/zinc/09/05/83/387090583.db2.gz MSCQEZUTRJYSLU-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO C[N@@H+](CC(=O)NCC1CCC1)Cc1cccnc1 ZINC000119013843 387090592 /nfs/dbraw/zinc/09/05/92/387090592.db2.gz MSCQEZUTRJYSLU-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO CCCn1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000359359000 387091113 /nfs/dbraw/zinc/09/11/13/387091113.db2.gz KLGXMGUIAKZDCN-UHFFFAOYSA-N 1 2 247.302 1.288 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@@H](CF)C1 ZINC000418087594 387093873 /nfs/dbraw/zinc/09/38/73/387093873.db2.gz HRROYJORFRVIGW-NSHDSACASA-N 1 2 227.283 1.073 20 0 BDADLO CS[C@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000336261515 387094650 /nfs/dbraw/zinc/09/46/50/387094650.db2.gz HIQDESLIDCNIEF-CBAPKCEASA-N 1 2 227.333 1.876 20 0 BDADLO CS[C@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000336261515 387094654 /nfs/dbraw/zinc/09/46/54/387094654.db2.gz HIQDESLIDCNIEF-CBAPKCEASA-N 1 2 227.333 1.876 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccco1 ZINC000335004577 387098956 /nfs/dbraw/zinc/09/89/56/387098956.db2.gz MVMXUOYPOYWDJF-BONVTDFDSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccco1 ZINC000335004577 387098960 /nfs/dbraw/zinc/09/89/60/387098960.db2.gz MVMXUOYPOYWDJF-BONVTDFDSA-N 1 2 227.329 1.623 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000193371035 387102237 /nfs/dbraw/zinc/10/22/37/387102237.db2.gz SCVULYDPGZPWBC-LLVKDONJSA-N 1 2 237.351 1.468 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000193371035 387102241 /nfs/dbraw/zinc/10/22/41/387102241.db2.gz SCVULYDPGZPWBC-LLVKDONJSA-N 1 2 237.351 1.468 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069069549 387113637 /nfs/dbraw/zinc/11/36/37/387113637.db2.gz WNMJRNXZMZZACO-JTQLQIEISA-N 1 2 224.304 1.797 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069069549 387113639 /nfs/dbraw/zinc/11/36/39/387113639.db2.gz WNMJRNXZMZZACO-JTQLQIEISA-N 1 2 224.304 1.797 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cccc(=O)n1C ZINC000119276592 387114763 /nfs/dbraw/zinc/11/47/63/387114763.db2.gz SJIXYSSJDRQNOP-UHFFFAOYSA-N 1 2 243.266 1.341 20 0 BDADLO CSC[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000370422454 387116798 /nfs/dbraw/zinc/11/67/98/387116798.db2.gz RBQXGOWZHLNCNP-LLVKDONJSA-N 1 2 249.339 1.669 20 0 BDADLO COC(=O)c1ncn(Cc2ccc(C)[nH+]c2C)n1 ZINC000186609143 387116853 /nfs/dbraw/zinc/11/68/53/387116853.db2.gz FHFLKAOMGKRYQK-UHFFFAOYSA-N 1 2 246.270 1.125 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CC[C@@H](C)F)C1 ZINC000352372659 387116951 /nfs/dbraw/zinc/11/69/51/387116951.db2.gz VJOZOVSWZCADHT-BBBLOLIVSA-N 1 2 242.298 1.315 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CC[C@@H](C)F)C1 ZINC000352372659 387116953 /nfs/dbraw/zinc/11/69/53/387116953.db2.gz VJOZOVSWZCADHT-BBBLOLIVSA-N 1 2 242.298 1.315 20 0 BDADLO Cc1cnc(C[NH+]2CCSCC2)nc1 ZINC000336282232 387117160 /nfs/dbraw/zinc/11/71/60/387117160.db2.gz KJAHMUAICMEGSU-UHFFFAOYSA-N 1 2 209.318 1.334 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@]12CCOC2=O ZINC000186667466 387119097 /nfs/dbraw/zinc/11/90/97/387119097.db2.gz TVAFMJYZMWPYBK-CYBMUJFWSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@]1(C)C[C@H]1F ZINC000424870790 387119078 /nfs/dbraw/zinc/11/90/78/387119078.db2.gz VHMXKQBJKVEVFI-KCJUWKMLSA-N 1 2 225.267 1.267 20 0 BDADLO C[C@@H](O)CN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000643451268 387119626 /nfs/dbraw/zinc/11/96/26/387119626.db2.gz FPGOWFIMHKHLCB-SECBINFHSA-N 1 2 248.286 1.179 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOCC(F)(F)F ZINC000070167270 387119911 /nfs/dbraw/zinc/11/99/11/387119911.db2.gz NMWMQGALXGGHJQ-UHFFFAOYSA-N 1 2 237.225 1.387 20 0 BDADLO COC[C@H]([NH2+]C1CC(C(C)C)C1)C(=O)OC ZINC000336767175 387122989 /nfs/dbraw/zinc/12/29/89/387122989.db2.gz PLULYOWIUIBMSZ-ILDUYXDCSA-N 1 2 229.320 1.199 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000228922936 387126280 /nfs/dbraw/zinc/12/62/80/387126280.db2.gz IVCGPAZIQFTNNF-JTQLQIEISA-N 1 2 229.283 1.830 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000336297282 387126456 /nfs/dbraw/zinc/12/64/56/387126456.db2.gz ZOJKKEHEIGPGGX-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000336297282 387126462 /nfs/dbraw/zinc/12/64/62/387126462.db2.gz ZOJKKEHEIGPGGX-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cncs1)C2 ZINC000369766621 387068557 /nfs/dbraw/zinc/06/85/57/387068557.db2.gz MVCMFQRVXIKSQB-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000119557086 387141902 /nfs/dbraw/zinc/14/19/02/387141902.db2.gz OAWLKSZMOAPBCX-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO O=C(CCn1cc[nH+]c1)N(CC1CC1)CC1CC1 ZINC000359654974 387142381 /nfs/dbraw/zinc/14/23/81/387142381.db2.gz BNXYYIURFPSOJC-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nnc(C)o3)C2)c1 ZINC000352391698 387145275 /nfs/dbraw/zinc/14/52/75/387145275.db2.gz NVWSMEBQZNSTQQ-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nnc(C)o3)C2)c1 ZINC000352391698 387145279 /nfs/dbraw/zinc/14/52/79/387145279.db2.gz NVWSMEBQZNSTQQ-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO Cc1c[nH+]c(CNc2cc3n(n2)CCCC3)n1C ZINC000353141114 387145758 /nfs/dbraw/zinc/14/57/58/387145758.db2.gz QXIQSDLZSRNEIY-UHFFFAOYSA-N 1 2 245.330 1.295 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC000353178598 387150863 /nfs/dbraw/zinc/15/08/63/387150863.db2.gz XZAGVZQOSHCFIG-VIFPVBQESA-N 1 2 215.247 1.613 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCn1cccn1 ZINC000353178598 387150867 /nfs/dbraw/zinc/15/08/67/387150867.db2.gz XZAGVZQOSHCFIG-VIFPVBQESA-N 1 2 215.247 1.613 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)c2ncnn2C)cn1 ZINC000353212159 387158176 /nfs/dbraw/zinc/15/81/76/387158176.db2.gz WEZLLZLACKMJKZ-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@H]2C)n1C1CC1 ZINC000336331513 387158649 /nfs/dbraw/zinc/15/86/49/387158649.db2.gz HMYNVBVNQIQCPW-DTWKUNHWSA-N 1 2 220.320 1.762 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@H]2C)n1C1CC1 ZINC000336331513 387158652 /nfs/dbraw/zinc/15/86/52/387158652.db2.gz HMYNVBVNQIQCPW-DTWKUNHWSA-N 1 2 220.320 1.762 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000353239476 387163033 /nfs/dbraw/zinc/16/30/33/387163033.db2.gz WQKPWJXESCIYRL-HTQZYQBOSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000353239476 387163035 /nfs/dbraw/zinc/16/30/35/387163035.db2.gz WQKPWJXESCIYRL-HTQZYQBOSA-N 1 2 213.281 1.406 20 0 BDADLO CCO[C@H]1COCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000353273794 387169463 /nfs/dbraw/zinc/16/94/63/387169463.db2.gz DYXITJABCQXXHH-MNOVXSKESA-N 1 2 237.303 1.391 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc2c[nH]nc21 ZINC000353284916 387174574 /nfs/dbraw/zinc/17/45/74/387174574.db2.gz FPWFYRCENRCMDZ-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc2c[nH]nc21 ZINC000353284916 387174579 /nfs/dbraw/zinc/17/45/79/387174579.db2.gz FPWFYRCENRCMDZ-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO Cn1cc(C[N@@H+]2CCc3ccc(O)cc3C2)cn1 ZINC000336345282 387175140 /nfs/dbraw/zinc/17/51/40/387175140.db2.gz RHKMTJLDHFJALC-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cc(C[N@H+]2CCc3ccc(O)cc3C2)cn1 ZINC000336345282 387175144 /nfs/dbraw/zinc/17/51/44/387175144.db2.gz RHKMTJLDHFJALC-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ncnn1C ZINC000353336288 387183329 /nfs/dbraw/zinc/18/33/29/387183329.db2.gz NSUAHPVPXVGBKG-IUCAKERBSA-N 1 2 249.293 1.761 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000284411380 387189841 /nfs/dbraw/zinc/18/98/41/387189841.db2.gz XEJHJHGRSSFIBD-JTQLQIEISA-N 1 2 214.334 1.592 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000284411380 387189849 /nfs/dbraw/zinc/18/98/49/387189849.db2.gz XEJHJHGRSSFIBD-JTQLQIEISA-N 1 2 214.334 1.592 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1c(O)cccc1F ZINC000228846967 387134331 /nfs/dbraw/zinc/13/43/31/387134331.db2.gz ITIGHZOHJKGGHS-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO c1c(CNc2ncccn2)[nH+]c2ccccn12 ZINC000035451195 387135579 /nfs/dbraw/zinc/13/55/79/387135579.db2.gz UYYNIOLCOUGYFG-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO COC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336393032 387222137 /nfs/dbraw/zinc/22/21/37/387222137.db2.gz YNZXZKQVVCDGKQ-ZETCQYMHSA-N 1 2 207.220 1.137 20 0 BDADLO COC(=O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336393032 387222139 /nfs/dbraw/zinc/22/21/39/387222139.db2.gz YNZXZKQVVCDGKQ-ZETCQYMHSA-N 1 2 207.220 1.137 20 0 BDADLO COc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)cn1 ZINC000572058667 387226044 /nfs/dbraw/zinc/22/60/44/387226044.db2.gz DAUXIWAWXJSSHO-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO COc1ccc(CNCc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000572058667 387226046 /nfs/dbraw/zinc/22/60/46/387226046.db2.gz DAUXIWAWXJSSHO-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000336407460 387236221 /nfs/dbraw/zinc/23/62/21/387236221.db2.gz FITQFVXKTZZFBB-WDEREUQCSA-N 1 2 217.284 1.226 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@]12CCOC2 ZINC000336407460 387236226 /nfs/dbraw/zinc/23/62/26/387236226.db2.gz FITQFVXKTZZFBB-WDEREUQCSA-N 1 2 217.284 1.226 20 0 BDADLO C[C@](O)(C(=O)Nc1c[nH+]c2n1CCCC2)C1CC1 ZINC000572110229 387236686 /nfs/dbraw/zinc/23/66/86/387236686.db2.gz XQNKDPXPEPASJA-CYBMUJFWSA-N 1 2 249.314 1.319 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000336407457 387237223 /nfs/dbraw/zinc/23/72/23/387237223.db2.gz FITQFVXKTZZFBB-GHMZBOCLSA-N 1 2 217.284 1.226 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCOC[C@]12CCOC2 ZINC000336407457 387237229 /nfs/dbraw/zinc/23/72/29/387237229.db2.gz FITQFVXKTZZFBB-GHMZBOCLSA-N 1 2 217.284 1.226 20 0 BDADLO CC(F)(F)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336409436 387238913 /nfs/dbraw/zinc/23/89/13/387238913.db2.gz RRNKGQZMBYIOET-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000360176496 387239354 /nfs/dbraw/zinc/23/93/54/387239354.db2.gz WEDSZOKQUQBQHO-GHMZBOCLSA-N 1 2 236.315 1.669 20 0 BDADLO C[C@H](CC1CC1)NC(=O)NCc1[nH+]ccn1C ZINC000353398637 387195575 /nfs/dbraw/zinc/19/55/75/387195575.db2.gz ZXXPPMZAAUQEMM-SECBINFHSA-N 1 2 236.319 1.408 20 0 BDADLO O=C(CCC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371364226 387198382 /nfs/dbraw/zinc/19/83/82/387198382.db2.gz LUJLWHHPXUMITM-JTQLQIEISA-N 1 2 233.315 1.573 20 0 BDADLO O=C(CCC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371364226 387198386 /nfs/dbraw/zinc/19/83/86/387198386.db2.gz LUJLWHHPXUMITM-JTQLQIEISA-N 1 2 233.315 1.573 20 0 BDADLO Cc1nc(C)c(CN2CCn3cc[nH+]c3C2)s1 ZINC000336432734 387259171 /nfs/dbraw/zinc/25/91/71/387259171.db2.gz SDGXBEOPSFTUHO-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO CC[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000336432291 387259354 /nfs/dbraw/zinc/25/93/54/387259354.db2.gz WYDJGNKLMVSNFC-YPMHNXCESA-N 1 2 247.342 1.601 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000230314064 387261304 /nfs/dbraw/zinc/26/13/04/387261304.db2.gz MAIBZJGXIHMOMH-NWDGAFQWSA-N 1 2 221.304 1.375 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CC1=CCCOC1 ZINC000353800500 387277664 /nfs/dbraw/zinc/27/76/64/387277664.db2.gz BPCZUWVIXUDHMX-GDLVEWKHSA-N 1 2 243.372 1.174 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CC1=CCCOC1 ZINC000353800500 387277669 /nfs/dbraw/zinc/27/76/69/387277669.db2.gz BPCZUWVIXUDHMX-GDLVEWKHSA-N 1 2 243.372 1.174 20 0 BDADLO c1cnc(C[N@H+]2CCOC[C@H]2CC2CCC2)cn1 ZINC000572250576 387277990 /nfs/dbraw/zinc/27/79/90/387277990.db2.gz FOHJLVCKODYNAM-CQSZACIVSA-N 1 2 247.342 1.868 20 0 BDADLO c1cnc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cn1 ZINC000572250576 387277996 /nfs/dbraw/zinc/27/79/96/387277996.db2.gz FOHJLVCKODYNAM-CQSZACIVSA-N 1 2 247.342 1.868 20 0 BDADLO CN(Cc1ccon1)Cc1c[nH+]c2ccccn12 ZINC000353831387 387282414 /nfs/dbraw/zinc/28/24/14/387282414.db2.gz VVVXWTYFNQDWIP-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO CC(C)(NC(=O)C1(CCF)CC1)c1[nH]cc[nH+]1 ZINC000514791045 387291937 /nfs/dbraw/zinc/29/19/37/387291937.db2.gz BODIKRNFCRULFN-UHFFFAOYSA-N 1 2 239.294 1.901 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC12CCCC2 ZINC000336462690 387293233 /nfs/dbraw/zinc/29/32/33/387293233.db2.gz YZRZJJZUEWAEQS-SNVBAGLBSA-N 1 2 233.315 1.948 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CC23CC3)cc[nH+]1 ZINC000514848742 387295832 /nfs/dbraw/zinc/29/58/32/387295832.db2.gz MAUODMPGHNWFPA-JTQLQIEISA-N 1 2 231.299 1.734 20 0 BDADLO C[C@@H](O)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336468113 387295969 /nfs/dbraw/zinc/29/59/69/387295969.db2.gz HPJQTRGOFONGFJ-MRVPVSSYSA-N 1 2 231.255 1.396 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cnoc1C ZINC000336476327 387303929 /nfs/dbraw/zinc/30/39/29/387303929.db2.gz JSNYEGKVPDZWMS-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cnoc1C ZINC000336476327 387303935 /nfs/dbraw/zinc/30/39/35/387303935.db2.gz JSNYEGKVPDZWMS-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H](F)[C@@H](F)C1 ZINC000514872530 387306843 /nfs/dbraw/zinc/30/68/43/387306843.db2.gz IPXHMFGOSXCMKF-DTORHVGOSA-N 1 2 213.231 1.590 20 0 BDADLO CCOc1ccc(C[N@H+](C2CC2)C2COC2)nc1 ZINC000648606665 387383912 /nfs/dbraw/zinc/38/39/12/387383912.db2.gz ZJVUZFBEJTVDBL-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1ccc(C[N@@H+](C2CC2)C2COC2)nc1 ZINC000648606665 387383916 /nfs/dbraw/zinc/38/39/16/387383916.db2.gz ZJVUZFBEJTVDBL-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CC(C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336532366 387354726 /nfs/dbraw/zinc/35/47/26/387354726.db2.gz LAHDPRLKOUMRKF-SECBINFHSA-N 1 2 207.277 1.729 20 0 BDADLO OCc1nnn2c1C[N@H+](CC1=CCCCC1)CC2 ZINC000515303519 387361909 /nfs/dbraw/zinc/36/19/09/387361909.db2.gz GJDRFHJWFIZRLF-UHFFFAOYSA-N 1 2 248.330 1.086 20 0 BDADLO OCc1nnn2c1C[N@@H+](CC1=CCCCC1)CC2 ZINC000515303519 387361911 /nfs/dbraw/zinc/36/19/11/387361911.db2.gz GJDRFHJWFIZRLF-UHFFFAOYSA-N 1 2 248.330 1.086 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC000336548262 387369965 /nfs/dbraw/zinc/36/99/65/387369965.db2.gz BMUQIWYZJYRSGW-UHFFFAOYSA-N 1 2 244.338 1.931 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC000336548262 387369969 /nfs/dbraw/zinc/36/99/69/387369969.db2.gz BMUQIWYZJYRSGW-UHFFFAOYSA-N 1 2 244.338 1.931 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)o1 ZINC000336552628 387373316 /nfs/dbraw/zinc/37/33/16/387373316.db2.gz JJVYEPSYMPYMIE-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC(C)(C)[C@@H]2C)o1 ZINC000336552628 387373321 /nfs/dbraw/zinc/37/33/21/387373321.db2.gz JJVYEPSYMPYMIE-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000515385822 387375487 /nfs/dbraw/zinc/37/54/87/387375487.db2.gz DHFHGBACQFTOPF-NTZNESFSSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@](F)(CO)C2)o1 ZINC000336505229 387330455 /nfs/dbraw/zinc/33/04/55/387330455.db2.gz NRPQLHJJDMKKRL-ZYHUDNBSSA-N 1 2 242.294 1.840 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@](F)(CO)C2)o1 ZINC000336505229 387330457 /nfs/dbraw/zinc/33/04/57/387330457.db2.gz NRPQLHJJDMKKRL-ZYHUDNBSSA-N 1 2 242.294 1.840 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCCOC2)c(C)c[nH+]1 ZINC000515090715 387336343 /nfs/dbraw/zinc/33/63/43/387336343.db2.gz ZQHVNZBDPSEHBW-NSHDSACASA-N 1 2 249.314 1.421 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336514750 387339476 /nfs/dbraw/zinc/33/94/76/387339476.db2.gz NXVAREWNVDMOBD-UWVGGRQHSA-N 1 2 233.315 1.841 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360733692 387344512 /nfs/dbraw/zinc/34/45/12/387344512.db2.gz CKAUKSVQEMPZBQ-CMPLNLGQSA-N 1 2 221.304 1.708 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360733692 387344515 /nfs/dbraw/zinc/34/45/15/387344515.db2.gz CKAUKSVQEMPZBQ-CMPLNLGQSA-N 1 2 221.304 1.708 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360733694 387344974 /nfs/dbraw/zinc/34/49/74/387344974.db2.gz CKAUKSVQEMPZBQ-JQWIXIFHSA-N 1 2 221.304 1.708 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360733694 387344979 /nfs/dbraw/zinc/34/49/79/387344979.db2.gz CKAUKSVQEMPZBQ-JQWIXIFHSA-N 1 2 221.304 1.708 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1=CCCOC1 ZINC000287003855 387352454 /nfs/dbraw/zinc/35/24/54/387352454.db2.gz FGRDXXBGOZSCKC-UHFFFAOYSA-N 1 2 245.286 1.122 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352664786 387425164 /nfs/dbraw/zinc/42/51/64/387425164.db2.gz CRIBHEFARUEUTL-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352664786 387425169 /nfs/dbraw/zinc/42/51/69/387425169.db2.gz CRIBHEFARUEUTL-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668801 387429004 /nfs/dbraw/zinc/42/90/04/387429004.db2.gz VAJUDBRWVPRKGE-MNOVXSKESA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668801 387429010 /nfs/dbraw/zinc/42/90/10/387429010.db2.gz VAJUDBRWVPRKGE-MNOVXSKESA-N 1 2 238.335 1.033 20 0 BDADLO CC[N@H+](CCOCCO)Cc1csc(C)n1 ZINC000304246208 387449714 /nfs/dbraw/zinc/44/97/14/387449714.db2.gz PKSUOELRNKWFNG-UHFFFAOYSA-N 1 2 244.360 1.282 20 0 BDADLO CC[N@@H+](CCOCCO)Cc1csc(C)n1 ZINC000304246208 387449719 /nfs/dbraw/zinc/44/97/19/387449719.db2.gz PKSUOELRNKWFNG-UHFFFAOYSA-N 1 2 244.360 1.282 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)NCC(C)C ZINC000361409922 387458267 /nfs/dbraw/zinc/45/82/67/387458267.db2.gz JDPKOALUEMOHSQ-UHFFFAOYSA-N 1 2 249.358 1.594 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)NCC(C)C ZINC000361409922 387458271 /nfs/dbraw/zinc/45/82/71/387458271.db2.gz JDPKOALUEMOHSQ-UHFFFAOYSA-N 1 2 249.358 1.594 20 0 BDADLO COCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000082776950 387388762 /nfs/dbraw/zinc/38/87/62/387388762.db2.gz WSZCAKDOGHXKTF-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO COCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000082776950 387388766 /nfs/dbraw/zinc/38/87/66/387388766.db2.gz WSZCAKDOGHXKTF-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO COCc1cnc(C[N@H+](C)C[C@@H](C)O)s1 ZINC000361015319 387389598 /nfs/dbraw/zinc/38/95/98/387389598.db2.gz BFCBJHDGDMNSGS-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1cnc(C[N@@H+](C)C[C@@H](C)O)s1 ZINC000361015319 387389605 /nfs/dbraw/zinc/38/96/05/387389605.db2.gz BFCBJHDGDMNSGS-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO CC(=O)c1cc(C[NH+]2[C@H](C)C[C@H]2C)on1 ZINC000515497080 387390835 /nfs/dbraw/zinc/39/08/35/387390835.db2.gz SJWVONILLNRAFW-HTQZYQBOSA-N 1 2 208.261 1.860 20 0 BDADLO CC(=O)CC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000373829653 387398098 /nfs/dbraw/zinc/39/80/98/387398098.db2.gz USQFYXMHCUVJBC-UHFFFAOYSA-N 1 2 237.274 1.999 20 0 BDADLO CC(=O)CC[N@H+]1CCOc2c(F)cccc2C1 ZINC000373829653 387398102 /nfs/dbraw/zinc/39/81/02/387398102.db2.gz USQFYXMHCUVJBC-UHFFFAOYSA-N 1 2 237.274 1.999 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000423692336 387398807 /nfs/dbraw/zinc/39/88/07/387398807.db2.gz FYZUDMGRXRGHSC-ZJUUUORDSA-N 1 2 248.317 1.784 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000646235290 387404342 /nfs/dbraw/zinc/40/43/42/387404342.db2.gz IYORELNZMXBJDC-VIFPVBQESA-N 1 2 238.356 1.853 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000646235290 387404346 /nfs/dbraw/zinc/40/43/46/387404346.db2.gz IYORELNZMXBJDC-VIFPVBQESA-N 1 2 238.356 1.853 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn2cccc(F)c2n1 ZINC000646235261 387404489 /nfs/dbraw/zinc/40/44/89/387404489.db2.gz DMJHKIBWHURGGQ-LLVKDONJSA-N 1 2 249.289 1.694 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn2cccc(F)c2n1 ZINC000646235261 387404493 /nfs/dbraw/zinc/40/44/93/387404493.db2.gz DMJHKIBWHURGGQ-LLVKDONJSA-N 1 2 249.289 1.694 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+]2CCCOCC2)n1 ZINC000374028299 387411340 /nfs/dbraw/zinc/41/13/40/387411340.db2.gz YDVMZJLQHJLEOL-SNVBAGLBSA-N 1 2 239.319 1.976 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+]2CCCOCC2)n1 ZINC000374028299 387411345 /nfs/dbraw/zinc/41/13/45/387411345.db2.gz YDVMZJLQHJLEOL-SNVBAGLBSA-N 1 2 239.319 1.976 20 0 BDADLO Cc1cc(NC(=O)NCc2cccn2C)cc[nH+]1 ZINC000336587324 387411961 /nfs/dbraw/zinc/41/19/61/387411961.db2.gz GQQHHCFDZRHKKO-UHFFFAOYSA-N 1 2 244.298 1.472 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2ccon2)cc[nH+]1 ZINC000336587525 387412319 /nfs/dbraw/zinc/41/23/19/387412319.db2.gz PEUUWDFDMFEKAQ-UHFFFAOYSA-N 1 2 246.270 1.464 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000336589005 387414870 /nfs/dbraw/zinc/41/48/70/387414870.db2.gz GZWUJZQLCZVRAW-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000336589005 387414876 /nfs/dbraw/zinc/41/48/76/387414876.db2.gz GZWUJZQLCZVRAW-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000336589005 387414878 /nfs/dbraw/zinc/41/48/78/387414878.db2.gz GZWUJZQLCZVRAW-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000336589005 387414882 /nfs/dbraw/zinc/41/48/82/387414882.db2.gz GZWUJZQLCZVRAW-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO CCN(CCCO)c1cc[nH+]c(C(C)C)n1 ZINC000361237444 387422168 /nfs/dbraw/zinc/42/21/68/387422168.db2.gz OQLGOWIMRMBRNV-UHFFFAOYSA-N 1 2 223.320 1.809 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1(CCO)CCC1 ZINC000572423949 387423234 /nfs/dbraw/zinc/42/32/34/387423234.db2.gz UASZGEBDPAKUMD-UHFFFAOYSA-N 1 2 235.331 1.480 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000355208583 387497533 /nfs/dbraw/zinc/49/75/33/387497533.db2.gz URWWNQDNWMLLTN-UTUOFQBUSA-N 1 2 247.342 1.923 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(OC)nc2)CCO1 ZINC000085785045 387501763 /nfs/dbraw/zinc/50/17/63/387501763.db2.gz WFKRBCCDNZRTDQ-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)CCO1 ZINC000085785045 387501767 /nfs/dbraw/zinc/50/17/67/387501767.db2.gz WFKRBCCDNZRTDQ-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO COC(=O)C[N@H+](C/C=C/c1ccncc1)C1CC1 ZINC000355229676 387502049 /nfs/dbraw/zinc/50/20/49/387502049.db2.gz XFGMFIALRWFWTJ-NSCUHMNNSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)C[N@@H+](C/C=C/c1ccncc1)C1CC1 ZINC000355229676 387502055 /nfs/dbraw/zinc/50/20/55/387502055.db2.gz XFGMFIALRWFWTJ-NSCUHMNNSA-N 1 2 246.310 1.732 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000361585567 387502773 /nfs/dbraw/zinc/50/27/73/387502773.db2.gz DRGKPVMVFTXPIL-GFCCVEGCSA-N 1 2 243.314 1.429 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000361585567 387502775 /nfs/dbraw/zinc/50/27/75/387502775.db2.gz DRGKPVMVFTXPIL-GFCCVEGCSA-N 1 2 243.314 1.429 20 0 BDADLO CC[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000421923331 387504439 /nfs/dbraw/zinc/50/44/39/387504439.db2.gz VGCKNMMOKVYKIP-QWRGUYRKSA-N 1 2 235.331 1.608 20 0 BDADLO CO[C@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375044472 387508766 /nfs/dbraw/zinc/50/87/66/387508766.db2.gz YZASWDOQJYLVKD-NXEZZACHSA-N 1 2 237.303 1.498 20 0 BDADLO CCCC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000361610000 387511521 /nfs/dbraw/zinc/51/15/21/387511521.db2.gz KZGGIXRHLAWNKD-UHFFFAOYSA-N 1 2 225.340 1.660 20 0 BDADLO CCCC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000361610000 387511525 /nfs/dbraw/zinc/51/15/25/387511525.db2.gz KZGGIXRHLAWNKD-UHFFFAOYSA-N 1 2 225.340 1.660 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000361640375 387515220 /nfs/dbraw/zinc/51/52/20/387515220.db2.gz UIGJDRYLDRWRMW-KXUCPTDWSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000361640375 387515223 /nfs/dbraw/zinc/51/52/23/387515223.db2.gz UIGJDRYLDRWRMW-KXUCPTDWSA-N 1 2 215.293 1.047 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1CC1=CCCOC1 ZINC000361655976 387518717 /nfs/dbraw/zinc/51/87/17/387518717.db2.gz RDLFERNEANEGCT-SNVBAGLBSA-N 1 2 234.303 1.001 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1CC1=CCCOC1 ZINC000361655976 387518720 /nfs/dbraw/zinc/51/87/20/387518720.db2.gz RDLFERNEANEGCT-SNVBAGLBSA-N 1 2 234.303 1.001 20 0 BDADLO C[N@H+](Cc1ncccn1)[C@H](CO)c1ccccc1 ZINC000361712835 387524294 /nfs/dbraw/zinc/52/42/94/387524294.db2.gz COERMATXPUPYHR-CYBMUJFWSA-N 1 2 243.310 1.642 20 0 BDADLO C[N@@H+](Cc1ncccn1)[C@H](CO)c1ccccc1 ZINC000361712835 387524297 /nfs/dbraw/zinc/52/42/97/387524297.db2.gz COERMATXPUPYHR-CYBMUJFWSA-N 1 2 243.310 1.642 20 0 BDADLO COC[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H](C)O1 ZINC000527234643 387544016 /nfs/dbraw/zinc/54/40/16/387544016.db2.gz NOZMXPWJCUVGJN-ZJUUUORDSA-N 1 2 217.284 1.224 20 0 BDADLO COC[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@H](C)O1 ZINC000527234643 387544021 /nfs/dbraw/zinc/54/40/21/387544021.db2.gz NOZMXPWJCUVGJN-ZJUUUORDSA-N 1 2 217.284 1.224 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN(C)CC(F)(F)F ZINC000192719142 387526724 /nfs/dbraw/zinc/52/67/24/387526724.db2.gz BXHGVPIHOHHOKI-SECBINFHSA-N 1 2 240.269 1.201 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN(C)CC(F)(F)F ZINC000192719142 387526727 /nfs/dbraw/zinc/52/67/27/387526727.db2.gz BXHGVPIHOHHOKI-SECBINFHSA-N 1 2 240.269 1.201 20 0 BDADLO c1cnc(C[N@H+]2CCC[C@H](OCC3CC3)C2)nc1 ZINC000361756704 387531682 /nfs/dbraw/zinc/53/16/82/387531682.db2.gz VQHXCRTYNHDGPC-ZDUSSCGKSA-N 1 2 247.342 1.868 20 0 BDADLO c1cnc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)nc1 ZINC000361756704 387531688 /nfs/dbraw/zinc/53/16/88/387531688.db2.gz VQHXCRTYNHDGPC-ZDUSSCGKSA-N 1 2 247.342 1.868 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@](O)(CC)C2)no1 ZINC000425915960 387533689 /nfs/dbraw/zinc/53/36/89/387533689.db2.gz AVNYYZWEAZAAIJ-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@](O)(CC)C2)no1 ZINC000425915960 387533693 /nfs/dbraw/zinc/53/36/93/387533693.db2.gz AVNYYZWEAZAAIJ-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO c1nc(N2CCCOCC2)cc(NCC2CC2)[nH+]1 ZINC000361800256 387536110 /nfs/dbraw/zinc/53/61/10/387536110.db2.gz UCERTRPRENZIKJ-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO c1nc(NCC2CC2)cc(N2CCCOCC2)[nH+]1 ZINC000361800256 387536117 /nfs/dbraw/zinc/53/61/17/387536117.db2.gz UCERTRPRENZIKJ-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CC(=O)NCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000355433284 387538179 /nfs/dbraw/zinc/53/81/79/387538179.db2.gz GNMONMZAKKESBU-UHFFFAOYSA-N 1 2 244.298 1.658 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1cn[nH]c1 ZINC000310654142 387539794 /nfs/dbraw/zinc/53/97/94/387539794.db2.gz HIMWIIAXUVVXGE-SECBINFHSA-N 1 2 242.286 1.303 20 0 BDADLO Cc1cc(C)c(NC(=O)c2ncn(C)n2)c(C)[nH+]1 ZINC000361449254 387465110 /nfs/dbraw/zinc/46/51/10/387465110.db2.gz LAUBTRTUTQRNLR-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO Cc1nnsc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000516185448 387470945 /nfs/dbraw/zinc/47/09/45/387470945.db2.gz BGWQHDHXUPYDKG-QMMMGPOBSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000516185448 387470950 /nfs/dbraw/zinc/47/09/50/387470950.db2.gz BGWQHDHXUPYDKG-QMMMGPOBSA-N 1 2 241.360 1.846 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352758297 387473398 /nfs/dbraw/zinc/47/33/98/387473398.db2.gz IZVRISRDXWJYBU-BLLLJJGKSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)CCOCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352758297 387473403 /nfs/dbraw/zinc/47/34/03/387473403.db2.gz IZVRISRDXWJYBU-BLLLJJGKSA-N 1 2 247.404 1.502 20 0 BDADLO CC[C@@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374647962 387475434 /nfs/dbraw/zinc/47/54/34/387475434.db2.gz PEWQXNXUULAMAV-SECBINFHSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cscn1)CC2 ZINC000374661818 387477937 /nfs/dbraw/zinc/47/79/37/387477937.db2.gz ITJWVWSIKAHXQJ-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCF)n1 ZINC000361521011 387479953 /nfs/dbraw/zinc/47/99/53/387479953.db2.gz XEOIIRGHTNYSMS-VIFPVBQESA-N 1 2 245.298 1.959 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCF)n1 ZINC000361521011 387479959 /nfs/dbraw/zinc/47/99/59/387479959.db2.gz XEOIIRGHTNYSMS-VIFPVBQESA-N 1 2 245.298 1.959 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC=CCC1)CC2 ZINC000374693489 387483619 /nfs/dbraw/zinc/48/36/19/387483619.db2.gz LBHVSPOAFXUXSU-LBPRGKRZSA-N 1 2 245.326 1.890 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1c(Cl)cnn1C ZINC000527115712 387483888 /nfs/dbraw/zinc/48/38/88/387483888.db2.gz CSTDEKAOVWTYNM-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1c(Cl)cnn1C ZINC000527115712 387483889 /nfs/dbraw/zinc/48/38/89/387483889.db2.gz CSTDEKAOVWTYNM-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccncc2F)cnn1C ZINC000516241606 387486083 /nfs/dbraw/zinc/48/60/83/387486083.db2.gz AAKVPJHNOBFWCZ-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccncc2F)cnn1C ZINC000516241606 387486087 /nfs/dbraw/zinc/48/60/87/387486087.db2.gz AAKVPJHNOBFWCZ-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CC[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000516268303 387489919 /nfs/dbraw/zinc/48/99/19/387489919.db2.gz USQCSDRUAQDWCJ-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO COCCCCN(C)c1nc[nH+]c(N)c1Cl ZINC000397260199 387493216 /nfs/dbraw/zinc/49/32/16/387493216.db2.gz QQZSFGCLXFDYGV-UHFFFAOYSA-N 1 2 244.726 1.575 20 0 BDADLO COCCCCN(C)c1[nH+]cnc(N)c1Cl ZINC000397260199 387493220 /nfs/dbraw/zinc/49/32/20/387493220.db2.gz QQZSFGCLXFDYGV-UHFFFAOYSA-N 1 2 244.726 1.575 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1ncon1 ZINC000375778063 387580998 /nfs/dbraw/zinc/58/09/98/387580998.db2.gz UQRWOZXRSBGAHI-SECBINFHSA-N 1 2 233.275 1.140 20 0 BDADLO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4noc(C)n4)[C@H]1[C@H]3C2 ZINC000375787121 387581940 /nfs/dbraw/zinc/58/19/40/387581940.db2.gz FZPMQEIENBLUBD-ZIIUWJBSSA-N 1 2 249.314 1.233 20 0 BDADLO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4noc(C)n4)[C@H]1[C@H]3C2 ZINC000375787121 387581942 /nfs/dbraw/zinc/58/19/42/387581942.db2.gz FZPMQEIENBLUBD-ZIIUWJBSSA-N 1 2 249.314 1.233 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCCS1 ZINC000362549068 387628470 /nfs/dbraw/zinc/62/84/70/387628470.db2.gz AETLMKROVNGMBP-SNVBAGLBSA-N 1 2 239.344 1.285 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)no1 ZINC000528759116 387590123 /nfs/dbraw/zinc/59/01/23/387590123.db2.gz XBNCKMIJTIBJID-XBWDGYHZSA-N 1 2 239.319 1.534 20 0 BDADLO CC(C)CC[C@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424127101 387603352 /nfs/dbraw/zinc/60/33/52/387603352.db2.gz AHVNLZMKPMRTQT-VIFPVBQESA-N 1 2 237.290 1.095 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cnnc3[C@@H]2C)ccn1 ZINC000527538220 387606636 /nfs/dbraw/zinc/60/66/36/387606636.db2.gz JSWQUSVIVWLHKE-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cnnc3[C@@H]2C)ccn1 ZINC000527538220 387606641 /nfs/dbraw/zinc/60/66/41/387606641.db2.gz JSWQUSVIVWLHKE-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO O=C(CCCC(F)(F)F)NCc1c[nH+]c[nH]1 ZINC000356029033 387608136 /nfs/dbraw/zinc/60/81/36/387608136.db2.gz MXRFRXAGAVOSEI-UHFFFAOYSA-N 1 2 235.209 1.759 20 0 BDADLO O=C(CCCC(F)(F)F)NCc1c[nH]c[nH+]1 ZINC000356029033 387608140 /nfs/dbraw/zinc/60/81/40/387608140.db2.gz MXRFRXAGAVOSEI-UHFFFAOYSA-N 1 2 235.209 1.759 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)ccn1 ZINC000527539109 387608141 /nfs/dbraw/zinc/60/81/41/387608141.db2.gz ODWRXMQDANRDGU-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)ccn1 ZINC000527539109 387608146 /nfs/dbraw/zinc/60/81/46/387608146.db2.gz ODWRXMQDANRDGU-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)ccn1 ZINC000527539283 387608432 /nfs/dbraw/zinc/60/84/32/387608432.db2.gz QBXATLNMMONWBQ-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)ccn1 ZINC000527539283 387608437 /nfs/dbraw/zinc/60/84/37/387608437.db2.gz QBXATLNMMONWBQ-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO C[NH2+]CC(=O)N=c1cc(C2CCCCC2)[nH][nH]1 ZINC000430409732 387615017 /nfs/dbraw/zinc/61/50/17/387615017.db2.gz AQPUVXVLKPGCSU-UHFFFAOYSA-N 1 2 236.319 1.037 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000430427647 387617385 /nfs/dbraw/zinc/61/73/85/387617385.db2.gz FQJHPSDKTHRIOL-UHFFFAOYSA-N 1 2 249.314 1.040 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccccn1 ZINC000362517183 387622407 /nfs/dbraw/zinc/62/24/07/387622407.db2.gz WZEFJAIPSLMUEZ-LLVKDONJSA-N 1 2 249.358 1.817 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccccn1 ZINC000362517183 387622413 /nfs/dbraw/zinc/62/24/13/387622413.db2.gz WZEFJAIPSLMUEZ-LLVKDONJSA-N 1 2 249.358 1.817 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC(F)(F)F ZINC000362510059 387622644 /nfs/dbraw/zinc/62/26/44/387622644.db2.gz ZKFWRKAOUQGNRO-UHFFFAOYSA-N 1 2 235.209 1.342 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccnc(C)c1 ZINC000527533501 387625501 /nfs/dbraw/zinc/62/55/01/387625501.db2.gz JYFQFNREIPWDLP-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527533501 387625507 /nfs/dbraw/zinc/62/55/07/387625507.db2.gz JYFQFNREIPWDLP-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO Cn1ccnc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426247224 387549760 /nfs/dbraw/zinc/54/97/60/387549760.db2.gz ZWNJIYXZIKGOBB-UHFFFAOYSA-N 1 2 245.273 1.012 20 0 BDADLO Cn1cc[nH+]c1CN1CCC(O)(C(F)F)CC1 ZINC000426247224 387549762 /nfs/dbraw/zinc/54/97/62/387549762.db2.gz ZWNJIYXZIKGOBB-UHFFFAOYSA-N 1 2 245.273 1.012 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC000397183984 387549884 /nfs/dbraw/zinc/54/98/84/387549884.db2.gz KRIXYUAWEMNBRO-DMDPSCGWSA-N 1 2 225.332 1.962 20 0 BDADLO C[N@H+](Cc1nnnn1C(C)(C)C)CC(C)(C)C ZINC000361920290 387551795 /nfs/dbraw/zinc/55/17/95/387551795.db2.gz VGBSJFKJYXSNJW-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO C[N@@H+](Cc1nnnn1C(C)(C)C)CC(C)(C)C ZINC000361920290 387551796 /nfs/dbraw/zinc/55/17/96/387551796.db2.gz VGBSJFKJYXSNJW-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)CCn1cc[nH+]c1 ZINC000362000364 387558831 /nfs/dbraw/zinc/55/88/31/387558831.db2.gz BTMBDIFMQUNJIB-QMMMGPOBSA-N 1 2 249.236 1.730 20 0 BDADLO CC1(C)C[N@H+](Cc2cscn2)C[C@@H]1O ZINC000279953040 387569420 /nfs/dbraw/zinc/56/94/20/387569420.db2.gz XVTUGAWZFBUGEW-VIFPVBQESA-N 1 2 212.318 1.346 20 0 BDADLO CC1(C)C[N@@H+](Cc2cscn2)C[C@@H]1O ZINC000279953040 387569426 /nfs/dbraw/zinc/56/94/26/387569426.db2.gz XVTUGAWZFBUGEW-VIFPVBQESA-N 1 2 212.318 1.346 20 0 BDADLO C[C@H]([NH2+]Cc1nncn1C)c1cccc(O)c1 ZINC000038007572 387570341 /nfs/dbraw/zinc/57/03/41/387570341.db2.gz CESPKQFTTLFURH-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)nc1 ZINC000375762005 387579376 /nfs/dbraw/zinc/57/93/76/387579376.db2.gz IVQQWBOHQAOOOW-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)nc1 ZINC000375762005 387579379 /nfs/dbraw/zinc/57/93/79/387579379.db2.gz IVQQWBOHQAOOOW-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000124760012 387632141 /nfs/dbraw/zinc/63/21/41/387632141.db2.gz VURFUJRFXBJFCU-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000124760012 387632143 /nfs/dbraw/zinc/63/21/43/387632143.db2.gz VURFUJRFXBJFCU-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569778 387632777 /nfs/dbraw/zinc/63/27/77/387632777.db2.gz LHJLDTGOBIVHOT-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569778 387632782 /nfs/dbraw/zinc/63/27/82/387632782.db2.gz LHJLDTGOBIVHOT-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569844 387634940 /nfs/dbraw/zinc/63/49/40/387634940.db2.gz ZRKQKZYYXNEREU-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569844 387634943 /nfs/dbraw/zinc/63/49/43/387634943.db2.gz ZRKQKZYYXNEREU-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](C(C)C)C2)no1 ZINC000356272876 387636219 /nfs/dbraw/zinc/63/62/19/387636219.db2.gz CIFMNIONPZWEJR-JTQLQIEISA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](C(C)C)C2)no1 ZINC000356272876 387636224 /nfs/dbraw/zinc/63/62/24/387636224.db2.gz CIFMNIONPZWEJR-JTQLQIEISA-N 1 2 239.319 1.694 20 0 BDADLO CC[C@@H](CCO)NC(=O)Nc1cc[nH+]cc1C ZINC000305731872 387639363 /nfs/dbraw/zinc/63/93/63/387639363.db2.gz NTHLNACPRDQBPJ-JTQLQIEISA-N 1 2 237.303 1.673 20 0 BDADLO CCSCC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356338069 387646361 /nfs/dbraw/zinc/64/63/61/387646361.db2.gz HKOHRHWRXZDMGN-NSHDSACASA-N 1 2 243.372 1.419 20 0 BDADLO CCSCC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356338069 387646363 /nfs/dbraw/zinc/64/63/63/387646363.db2.gz HKOHRHWRXZDMGN-NSHDSACASA-N 1 2 243.372 1.419 20 0 BDADLO CC[C@@H](NC(=O)c1ccco1)c1[nH]cc[nH+]1 ZINC000125338965 387651633 /nfs/dbraw/zinc/65/16/33/387651633.db2.gz BLFCMNLOOKODOK-MRVPVSSYSA-N 1 2 219.244 1.884 20 0 BDADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000305781861 387653563 /nfs/dbraw/zinc/65/35/63/387653563.db2.gz PFHYBJKRKCZKQF-WDEREUQCSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H](Cc1cccs1)[NH2+]CC(F)(F)CN ZINC000643519964 387675307 /nfs/dbraw/zinc/67/53/07/387675307.db2.gz PNLRTOQCWBOUCQ-MRVPVSSYSA-N 1 2 234.315 1.863 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(c2cccnn2)CC1 ZINC000440713656 387681562 /nfs/dbraw/zinc/68/15/62/387681562.db2.gz OXJJOZQQTZMNRC-NSHDSACASA-N 1 2 238.310 1.347 20 0 BDADLO FC(F)Cn1ncnc1C[NH+]1CCCCCC1 ZINC000362970731 387681960 /nfs/dbraw/zinc/68/19/60/387681960.db2.gz WECRDJYTAVKXIH-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO CCCS(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451937248 387683581 /nfs/dbraw/zinc/68/35/81/387683581.db2.gz ZNVOAINIXFZTRO-SECBINFHSA-N 1 2 245.348 1.293 20 0 BDADLO CCC1(CC)CC[N@H+](Cc2nnn(C)n2)C1 ZINC000440767041 387685416 /nfs/dbraw/zinc/68/54/16/387685416.db2.gz SCLILLOADXRVKN-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO CCC1(CC)CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000440767041 387685422 /nfs/dbraw/zinc/68/54/22/387685422.db2.gz SCLILLOADXRVKN-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363014971 387685352 /nfs/dbraw/zinc/68/53/52/387685352.db2.gz RTDOEGHPEVBHFL-MNOVXSKESA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363014971 387685357 /nfs/dbraw/zinc/68/53/57/387685357.db2.gz RTDOEGHPEVBHFL-MNOVXSKESA-N 1 2 249.314 1.218 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CCC12CCC2 ZINC000440771795 387690280 /nfs/dbraw/zinc/69/02/80/387690280.db2.gz PJTHCUDSPFJLMJ-UHFFFAOYSA-N 1 2 224.283 1.376 20 0 BDADLO FCCn1ncnc1C[N@H+]1CCC12CCC2 ZINC000440771795 387690286 /nfs/dbraw/zinc/69/02/86/387690286.db2.gz PJTHCUDSPFJLMJ-UHFFFAOYSA-N 1 2 224.283 1.376 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOCC[C@@H]1C ZINC000367700402 387743726 /nfs/dbraw/zinc/74/37/26/387743726.db2.gz BWCVZKPEZDWAPL-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOCC[C@@H]1C ZINC000367700402 387743729 /nfs/dbraw/zinc/74/37/29/387743729.db2.gz BWCVZKPEZDWAPL-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO COC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377725946 387743960 /nfs/dbraw/zinc/74/39/60/387743960.db2.gz RLJRGHGISVGZHS-ONGXEEELSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377725946 387743964 /nfs/dbraw/zinc/74/39/64/387743964.db2.gz RLJRGHGISVGZHS-ONGXEEELSA-N 1 2 227.304 1.049 20 0 BDADLO COc1ccc[nH+]c1N1CCC(CC(N)=O)CC1 ZINC000527844403 387752876 /nfs/dbraw/zinc/75/28/76/387752876.db2.gz BEALOSKFADBIQN-UHFFFAOYSA-N 1 2 249.314 1.182 20 0 BDADLO Nc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2O)c[nH+]1 ZINC000422794272 387697077 /nfs/dbraw/zinc/69/70/77/387697077.db2.gz UAJXMXJEBBRUKN-GXSJLCMTSA-N 1 2 249.314 1.374 20 0 BDADLO C[C@@H](F)CCNC(=O)CCn1cc[nH+]c1 ZINC000356680123 387698365 /nfs/dbraw/zinc/69/83/65/387698365.db2.gz VLHQRPZOAVKMBA-SECBINFHSA-N 1 2 213.256 1.138 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccc(F)cc3n2C)C[C@H]1O ZINC000431423415 387708125 /nfs/dbraw/zinc/70/81/25/387708125.db2.gz USEONFHQOBBZCQ-PRHODGIISA-N 1 2 249.289 1.529 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2COC)[nH]1 ZINC000452045419 387710745 /nfs/dbraw/zinc/71/07/45/387710745.db2.gz XEHLRMKVRXJKRX-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2COC)[nH]1 ZINC000452045419 387710750 /nfs/dbraw/zinc/71/07/50/387710750.db2.gz XEHLRMKVRXJKRX-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCC1CCC([NH2+]CCCO)(C(=O)OC)CC1 ZINC000440912086 387711079 /nfs/dbraw/zinc/71/10/79/387711079.db2.gz BUHKTFAQFHDPCT-UHFFFAOYSA-N 1 2 243.347 1.470 20 0 BDADLO CSC1(C(=O)NCc2c[nH+]cn2C)CCC1 ZINC000356759631 387717716 /nfs/dbraw/zinc/71/77/16/387717716.db2.gz DJIZVRFPHKNKQV-UHFFFAOYSA-N 1 2 239.344 1.322 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000527803844 387724932 /nfs/dbraw/zinc/72/49/32/387724932.db2.gz KSLFXAWWRBPRDK-NKIYYHGXSA-N 1 2 223.320 1.620 20 0 BDADLO CC(C)(C)NC(=O)CCNc1cccc[nH+]1 ZINC000128069941 387735436 /nfs/dbraw/zinc/73/54/36/387735436.db2.gz OJLDFEYLJDXLSN-UHFFFAOYSA-N 1 2 221.304 1.798 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000367668004 387741523 /nfs/dbraw/zinc/74/15/23/387741523.db2.gz GFHHZAMDNASMOZ-CYZMBNFOSA-N 1 2 246.310 1.566 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528775796 387778527 /nfs/dbraw/zinc/77/85/27/387778527.db2.gz ZJUBWTDHEDIIJC-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO CCn1nncc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528775796 387778530 /nfs/dbraw/zinc/77/85/30/387778530.db2.gz ZJUBWTDHEDIIJC-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO C[C@@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000150868767 387779593 /nfs/dbraw/zinc/77/95/93/387779593.db2.gz GFFKMCVUBWLPBY-QMMMGPOBSA-N 1 2 207.277 1.537 20 0 BDADLO O=C(C1CCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378411616 387783990 /nfs/dbraw/zinc/78/39/90/387783990.db2.gz WELMJGPHUSVGKP-SNVBAGLBSA-N 1 2 219.288 1.873 20 0 BDADLO Cc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)nc[nH+]1 ZINC000441955677 387784295 /nfs/dbraw/zinc/78/42/95/387784295.db2.gz RJDWOSHYRSPNCU-NWDGAFQWSA-N 1 2 233.315 1.648 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)C(F)(F)F ZINC000378569004 387788358 /nfs/dbraw/zinc/78/83/58/387788358.db2.gz YPNZCMXUGPLOIW-SSDOTTSWSA-N 1 2 247.220 1.646 20 0 BDADLO CC[C@H]([NH2+]Cc1cnnn1CC)c1nccn1C ZINC000527919711 387789527 /nfs/dbraw/zinc/78/95/27/387789527.db2.gz JSIKYHSPTYPWMQ-NSHDSACASA-N 1 2 248.334 1.272 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000049956506 387790175 /nfs/dbraw/zinc/79/01/75/387790175.db2.gz YYZZMLOLSKDOFZ-JTQLQIEISA-N 1 2 237.299 1.689 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000049956506 387790180 /nfs/dbraw/zinc/79/01/80/387790180.db2.gz YYZZMLOLSKDOFZ-JTQLQIEISA-N 1 2 237.299 1.689 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2nccnc2C)n1 ZINC000527923524 387791279 /nfs/dbraw/zinc/79/12/79/387791279.db2.gz KDBMQXGNZOPWRE-JTQLQIEISA-N 1 2 246.318 1.247 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2c[nH]nc2C)n1 ZINC000527922950 387791708 /nfs/dbraw/zinc/79/17/08/387791708.db2.gz YZMNJZALWPJOIM-QMMMGPOBSA-N 1 2 234.307 1.180 20 0 BDADLO Cn1ccnc1C[N@H+](C)CC1=CCCC1 ZINC000645841864 387791838 /nfs/dbraw/zinc/79/18/38/387791838.db2.gz RVNIRTBVLJLLQT-UHFFFAOYSA-N 1 2 205.305 1.962 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CC1=CCCC1 ZINC000645841864 387791841 /nfs/dbraw/zinc/79/18/41/387791841.db2.gz RVNIRTBVLJLLQT-UHFFFAOYSA-N 1 2 205.305 1.962 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000527988861 387804173 /nfs/dbraw/zinc/80/41/73/387804173.db2.gz YVDXQJOMQAMPQY-VCDKRKBESA-N 1 2 247.342 1.680 20 0 BDADLO COc1ccc[nH+]c1NCC1(CC(N)=O)CC1 ZINC000528037499 387820799 /nfs/dbraw/zinc/82/07/99/387820799.db2.gz JMTJLKWUCQZOGT-UHFFFAOYSA-N 1 2 235.287 1.158 20 0 BDADLO C[C@H](O)C[N@@H+]1CCN(CC2(C)CCC2)[C@H](C)C1 ZINC000432798144 387822836 /nfs/dbraw/zinc/82/28/36/387822836.db2.gz NTLKFBCAZJNCON-OLZOCXBDSA-N 1 2 240.391 1.564 20 0 BDADLO C[C@H](O)C[N@H+]1CCN(CC2(C)CCC2)[C@H](C)C1 ZINC000432798144 387822842 /nfs/dbraw/zinc/82/28/42/387822842.db2.gz NTLKFBCAZJNCON-OLZOCXBDSA-N 1 2 240.391 1.564 20 0 BDADLO C[N@H+](CCCCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432809480 387825528 /nfs/dbraw/zinc/82/55/28/387825528.db2.gz XJMOKTNMAPMZKK-UHFFFAOYSA-N 1 2 240.351 1.307 20 0 BDADLO C[N@@H+](CCCCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432809480 387825532 /nfs/dbraw/zinc/82/55/32/387825532.db2.gz XJMOKTNMAPMZKK-UHFFFAOYSA-N 1 2 240.351 1.307 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@@H](C)OC ZINC000528019765 387826745 /nfs/dbraw/zinc/82/67/45/387826745.db2.gz XSSZUZIHXLCRNF-SECBINFHSA-N 1 2 210.277 1.561 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000055487579 387833029 /nfs/dbraw/zinc/83/30/29/387833029.db2.gz WXZUTUNBACVGGZ-SNVBAGLBSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](O)C2)o1 ZINC000055487579 387833033 /nfs/dbraw/zinc/83/30/33/387833033.db2.gz WXZUTUNBACVGGZ-SNVBAGLBSA-N 1 2 238.331 1.929 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](n2cccn2)C1 ZINC000528030145 387834323 /nfs/dbraw/zinc/83/43/23/387834323.db2.gz MKOWNUSWVWDQQB-NSHDSACASA-N 1 2 244.298 1.738 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H](CC)COC)C(=O)OCC ZINC000432891446 387837933 /nfs/dbraw/zinc/83/79/33/387837933.db2.gz TUWDVHRXONIDSY-MUDVKMOPSA-N 1 2 243.347 1.899 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H](C)COCC)C(=O)OCC ZINC000432912886 387838637 /nfs/dbraw/zinc/83/86/37/387838637.db2.gz CWKOYJSCHPNQRJ-MUDVKMOPSA-N 1 2 243.347 1.899 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442808341 387846671 /nfs/dbraw/zinc/84/66/71/387846671.db2.gz HFMCNBVFJSVUMY-QMMMGPOBSA-N 1 2 249.236 1.385 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442808341 387846675 /nfs/dbraw/zinc/84/66/75/387846675.db2.gz HFMCNBVFJSVUMY-QMMMGPOBSA-N 1 2 249.236 1.385 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000075779095 387852931 /nfs/dbraw/zinc/85/29/31/387852931.db2.gz VBFYYIVFFWBZQM-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000075779095 387852938 /nfs/dbraw/zinc/85/29/38/387852938.db2.gz VBFYYIVFFWBZQM-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO Cc1nc(C[N@H+](C)CCC[C@H]2CCOC2)no1 ZINC000645847900 387857539 /nfs/dbraw/zinc/85/75/39/387857539.db2.gz PYXRORIIRZXIJG-NSHDSACASA-N 1 2 239.319 1.627 20 0 BDADLO Cc1nc(C[N@@H+](C)CCC[C@H]2CCOC2)no1 ZINC000645847900 387857545 /nfs/dbraw/zinc/85/75/45/387857545.db2.gz PYXRORIIRZXIJG-NSHDSACASA-N 1 2 239.319 1.627 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1ccccc1 ZINC000452577762 387861768 /nfs/dbraw/zinc/86/17/68/387861768.db2.gz YKHHCBSMZIDJHG-UHFFFAOYSA-N 1 2 243.310 1.762 20 0 BDADLO Nc1ccc(NC(=O)C=C2CCC2)c[nH+]1 ZINC000151623017 387866138 /nfs/dbraw/zinc/86/61/38/387866138.db2.gz MMGXWLYZPYZWEY-UHFFFAOYSA-N 1 2 203.245 1.713 20 0 BDADLO COc1ccc(CCNc2cc(C)[nH+]cn2)cn1 ZINC000528187264 387866469 /nfs/dbraw/zinc/86/64/69/387866469.db2.gz UDZQJUMVGLVBLX-UHFFFAOYSA-N 1 2 244.298 1.265 20 0 BDADLO CC1(CC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000564069565 387814484 /nfs/dbraw/zinc/81/44/84/387814484.db2.gz LHOVZXAZXPENPV-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)C1CCC1 ZINC000424175688 387884506 /nfs/dbraw/zinc/88/45/06/387884506.db2.gz NZKAGNNJELWTKB-SECBINFHSA-N 1 2 232.274 1.148 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000194954748 387902486 /nfs/dbraw/zinc/90/24/86/387902486.db2.gz ADSQLFJHOXJHDH-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO CC[C@@H](C)C[N@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000194954748 387902491 /nfs/dbraw/zinc/90/24/91/387902491.db2.gz ADSQLFJHOXJHDH-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO C/C(Cl)=C\C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000528344576 387904172 /nfs/dbraw/zinc/90/41/72/387904172.db2.gz KCTWLDHREINOJW-IPQKIJNHSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C\C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000528344576 387904175 /nfs/dbraw/zinc/90/41/75/387904175.db2.gz KCTWLDHREINOJW-IPQKIJNHSA-N 1 2 237.752 1.248 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c[nH+]1 ZINC000265915625 387906770 /nfs/dbraw/zinc/90/67/70/387906770.db2.gz CKFCDWYEMGNPMF-FBIMIBRVSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1CC[N@H+](Cc2cc(F)ccc2F)CCN1 ZINC000195184969 387907414 /nfs/dbraw/zinc/90/74/14/387907414.db2.gz CHAQQUJEZQEUMH-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO O=C1CC[N@@H+](Cc2cc(F)ccc2F)CCN1 ZINC000195184969 387907420 /nfs/dbraw/zinc/90/74/20/387907420.db2.gz CHAQQUJEZQEUMH-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO CC1(C)CCC[C@@](O)(C[NH2+]Cc2ccn[nH]2)C1 ZINC000438364743 387929571 /nfs/dbraw/zinc/92/95/71/387929571.db2.gz PAKIBTMUOBGMMY-ZDUSSCGKSA-N 1 2 237.347 1.831 20 0 BDADLO CCn1nccc1C[N@@H+]1CCc2ncsc2C1 ZINC000438373884 387931855 /nfs/dbraw/zinc/93/18/55/387931855.db2.gz QTLOSASIQAMAIB-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCn1nccc1C[N@H+]1CCc2ncsc2C1 ZINC000438373884 387931856 /nfs/dbraw/zinc/93/18/56/387931856.db2.gz QTLOSASIQAMAIB-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C)[C@H](C)O1 ZINC000438362209 387928300 /nfs/dbraw/zinc/92/83/00/387928300.db2.gz XACXNBBWFDOSHG-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)[C@H](C)[C@H](C)O1 ZINC000438362209 387928306 /nfs/dbraw/zinc/92/83/06/387928306.db2.gz XACXNBBWFDOSHG-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)[C@H](C)[C@H](C)O1 ZINC000438362209 387928310 /nfs/dbraw/zinc/92/83/10/387928310.db2.gz XACXNBBWFDOSHG-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245533463 387955220 /nfs/dbraw/zinc/95/52/20/387955220.db2.gz ITASPLXMGVVIHL-NWDGAFQWSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245533463 387955223 /nfs/dbraw/zinc/95/52/23/387955223.db2.gz ITASPLXMGVVIHL-NWDGAFQWSA-N 1 2 249.358 1.989 20 0 BDADLO COC[C@@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC000450606360 387942486 /nfs/dbraw/zinc/94/24/86/387942486.db2.gz TZTQDECFCOVMMK-LBPRGKRZSA-N 1 2 221.304 1.648 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000245397996 387944151 /nfs/dbraw/zinc/94/41/51/387944151.db2.gz RDCHFYFFDCQGSQ-NWDGAFQWSA-N 1 2 249.358 1.779 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000245397996 387944156 /nfs/dbraw/zinc/94/41/56/387944156.db2.gz RDCHFYFFDCQGSQ-NWDGAFQWSA-N 1 2 249.358 1.779 20 0 BDADLO Cc1ccc(F)c(C[NH2+]Cc2nncn2C)c1 ZINC000227283572 387958536 /nfs/dbraw/zinc/95/85/36/387958536.db2.gz QPQYWCUZYULMCI-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CCSCCN1CC[NH+](CCOC)CC1 ZINC000158745220 387962768 /nfs/dbraw/zinc/96/27/68/387962768.db2.gz YOVOGKGQJSGMDR-UHFFFAOYSA-N 1 2 232.393 1.004 20 0 BDADLO Cc1nc(N(C)CCN(C)CC(F)F)cc[nH+]1 ZINC000439125334 387981273 /nfs/dbraw/zinc/98/12/73/387981273.db2.gz ULBROJBEGDKSGR-UHFFFAOYSA-N 1 2 244.289 1.418 20 0 BDADLO CCn1nccc1CN(C)c1cc(C)[nH+]cn1 ZINC000439131585 387981415 /nfs/dbraw/zinc/98/14/15/387981415.db2.gz NDTWHZADOUSOKX-UHFFFAOYSA-N 1 2 231.303 1.638 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)[C@@H](C)O1 ZINC000446065740 387989339 /nfs/dbraw/zinc/98/93/39/387989339.db2.gz CCKGUPJXLDTBBP-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)[C@@H](C)O1 ZINC000446065740 387989342 /nfs/dbraw/zinc/98/93/42/387989342.db2.gz CCKGUPJXLDTBBP-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)nn1C ZINC000446070967 387991969 /nfs/dbraw/zinc/99/19/69/387991969.db2.gz IJUFEHQUKXLQDM-SDDRHHMPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)nn1C ZINC000446070967 387991974 /nfs/dbraw/zinc/99/19/74/387991974.db2.gz IJUFEHQUKXLQDM-SDDRHHMPSA-N 1 2 237.347 1.726 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@H](C)[C@H](C)O1 ZINC000446071756 387994860 /nfs/dbraw/zinc/99/48/60/387994860.db2.gz RHLYUKKODORDMK-MXWKQRLJSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@H](C)[C@H](C)O1 ZINC000446071756 387994863 /nfs/dbraw/zinc/99/48/63/387994863.db2.gz RHLYUKKODORDMK-MXWKQRLJSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC000245777941 387983128 /nfs/dbraw/zinc/98/31/28/387983128.db2.gz UKWSVYLRKVZGEO-NXEZZACHSA-N 1 2 245.330 1.846 20 0 BDADLO c1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000439194928 387983625 /nfs/dbraw/zinc/98/36/25/387983625.db2.gz YKHLVVVFVCZZSF-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)co1 ZINC000275899607 177795473 /nfs/dbraw/zinc/79/54/73/177795473.db2.gz ZEGDXSBRDDCAOJ-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOCC(C)C)o1 ZINC000309677079 388008683 /nfs/dbraw/zinc/00/86/83/388008683.db2.gz MDISTOVOZDFZKA-SECBINFHSA-N 1 2 227.308 1.701 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000439954290 388025011 /nfs/dbraw/zinc/02/50/11/388025011.db2.gz RMCGHDCWPPSQTE-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000439954292 388025021 /nfs/dbraw/zinc/02/50/21/388025021.db2.gz RMCGHDCWPPSQTE-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000439954291 388025251 /nfs/dbraw/zinc/02/52/51/388025251.db2.gz RMCGHDCWPPSQTE-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1ccncc1 ZINC000082270823 388020628 /nfs/dbraw/zinc/02/06/28/388020628.db2.gz SUINEHFXIRTWEZ-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000082619008 388036913 /nfs/dbraw/zinc/03/69/13/388036913.db2.gz PXNCJBGBMBGYBQ-QMMMGPOBSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1cc(NCc2cscn2)nc[nH+]1 ZINC000082626436 388038737 /nfs/dbraw/zinc/03/87/37/388038737.db2.gz VMFJRJOSQIOMGT-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000082791778 388041857 /nfs/dbraw/zinc/04/18/57/388041857.db2.gz XRFVJKBHCXIXNS-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC000082791778 388041860 /nfs/dbraw/zinc/04/18/60/388041860.db2.gz XRFVJKBHCXIXNS-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453313429 388043368 /nfs/dbraw/zinc/04/33/68/388043368.db2.gz DDNBMTDJIGKHFV-RYUDHWBXSA-N 1 2 245.363 1.977 20 0 BDADLO CC[NH+]1CCN(C(=O)c2cnc(C)s2)CC1 ZINC000082304233 388026450 /nfs/dbraw/zinc/02/64/50/388026450.db2.gz GQWUMBLJYJJYER-UHFFFAOYSA-N 1 2 239.344 1.229 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1c1cc[nH+]c(C)n1 ZINC000447067403 388052150 /nfs/dbraw/zinc/05/21/50/388052150.db2.gz JYIIGCFWDRCCLU-ONGXEEELSA-N 1 2 221.304 1.789 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000440537784 388053294 /nfs/dbraw/zinc/05/32/94/388053294.db2.gz ZOMDRKQXYMUBIO-WDEREUQCSA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000440537784 388053297 /nfs/dbraw/zinc/05/32/97/388053297.db2.gz ZOMDRKQXYMUBIO-WDEREUQCSA-N 1 2 230.327 1.677 20 0 BDADLO CCc1nsc(NCCCn2cc[nH+]c2)n1 ZINC000083652635 388057857 /nfs/dbraw/zinc/05/78/57/388057857.db2.gz SMRKJNVTABYCNY-UHFFFAOYSA-N 1 2 237.332 1.799 20 0 BDADLO Cn1cc(Cl)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081657 388070029 /nfs/dbraw/zinc/07/00/29/388070029.db2.gz RGSBQCFNYSZAQS-UHFFFAOYSA-N 1 2 238.678 1.332 20 0 BDADLO Cn1cc(Cl)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081657 388070030 /nfs/dbraw/zinc/07/00/30/388070030.db2.gz RGSBQCFNYSZAQS-UHFFFAOYSA-N 1 2 238.678 1.332 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000440702312 388071607 /nfs/dbraw/zinc/07/16/07/388071607.db2.gz DKLUFNWDGPEWHI-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO CC[C@H](F)C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000440702312 388071610 /nfs/dbraw/zinc/07/16/10/388071610.db2.gz DKLUFNWDGPEWHI-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000084227681 388075345 /nfs/dbraw/zinc/07/53/45/388075345.db2.gz HAZOQKKCZJLLIE-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000084227681 388075348 /nfs/dbraw/zinc/07/53/48/388075348.db2.gz HAZOQKKCZJLLIE-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO C[C@H]([NH2+]C1(C(F)F)CC1)[C@H]1CCCO1 ZINC000336660309 388091876 /nfs/dbraw/zinc/09/18/76/388091876.db2.gz RRHYIKICJYYQFX-JGVFFNPUSA-N 1 2 205.248 1.941 20 0 BDADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cnc[nH]1 ZINC000453615698 388093111 /nfs/dbraw/zinc/09/31/11/388093111.db2.gz FRLLCAYEDIFSMO-UHFFFAOYSA-N 1 2 247.346 1.801 20 0 BDADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cnc[nH]1 ZINC000453615698 388093112 /nfs/dbraw/zinc/09/31/12/388093112.db2.gz FRLLCAYEDIFSMO-UHFFFAOYSA-N 1 2 247.346 1.801 20 0 BDADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1c[nH]cn1 ZINC000453615698 388093114 /nfs/dbraw/zinc/09/31/14/388093114.db2.gz FRLLCAYEDIFSMO-UHFFFAOYSA-N 1 2 247.346 1.801 20 0 BDADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1c[nH]cn1 ZINC000453615698 388093115 /nfs/dbraw/zinc/09/31/15/388093115.db2.gz FRLLCAYEDIFSMO-UHFFFAOYSA-N 1 2 247.346 1.801 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nncn1C ZINC000118411686 388095541 /nfs/dbraw/zinc/09/55/41/388095541.db2.gz LVSCHAOEKSOIAS-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nncn1C ZINC000118411686 388095542 /nfs/dbraw/zinc/09/55/42/388095542.db2.gz LVSCHAOEKSOIAS-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO COC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000056293197 388097341 /nfs/dbraw/zinc/09/73/41/388097341.db2.gz OUTXOMFJVUCWSS-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@H](OC)C1 ZINC000447853709 388098026 /nfs/dbraw/zinc/09/80/26/388098026.db2.gz HXPFMPDGUHGSLP-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@H](OC)C1 ZINC000447853709 388098029 /nfs/dbraw/zinc/09/80/29/388098029.db2.gz HXPFMPDGUHGSLP-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)C[C@H]1F ZINC000424531509 388098625 /nfs/dbraw/zinc/09/86/25/388098625.db2.gz WFLYVEUGMCNJTG-KOLCDFICSA-N 1 2 225.267 1.138 20 0 BDADLO Cc1cc(NCC(C)(C)S(C)(=O)=O)nc[nH+]1 ZINC000086504351 388103506 /nfs/dbraw/zinc/10/35/06/388103506.db2.gz OFCGOEGHIOWUIM-UHFFFAOYSA-N 1 2 243.332 1.020 20 0 BDADLO CC[C@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000454189737 388106347 /nfs/dbraw/zinc/10/63/47/388106347.db2.gz PSYGONLTFYVHEO-VIFPVBQESA-N 1 2 224.308 1.501 20 0 BDADLO Cc1cc(C)c(CNC(=O)NCC2CC2)c[nH+]1 ZINC000454204315 388107791 /nfs/dbraw/zinc/10/77/91/388107791.db2.gz RXBMXAFGRAYPSR-UHFFFAOYSA-N 1 2 233.315 1.908 20 0 BDADLO CC[C@H](Nc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000324136823 388110681 /nfs/dbraw/zinc/11/06/81/388110681.db2.gz JQBVAIRACOXAEW-QMMMGPOBSA-N 1 2 207.281 1.363 20 0 BDADLO CC[C@H](Nc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000324136823 388110683 /nfs/dbraw/zinc/11/06/83/388110683.db2.gz JQBVAIRACOXAEW-QMMMGPOBSA-N 1 2 207.281 1.363 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000440496777 388045299 /nfs/dbraw/zinc/04/52/99/388045299.db2.gz FZLVVVMIARDIOH-QJPTWQEYSA-N 1 2 243.322 1.805 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000440496777 388045301 /nfs/dbraw/zinc/04/53/01/388045301.db2.gz FZLVVVMIARDIOH-QJPTWQEYSA-N 1 2 243.322 1.805 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1c1cc(C)[nH+]cn1 ZINC000447063058 388049053 /nfs/dbraw/zinc/04/90/53/388049053.db2.gz HWKLBLHQTCRZSN-GHMZBOCLSA-N 1 2 221.304 1.789 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646260757 388171911 /nfs/dbraw/zinc/17/19/11/388171911.db2.gz FWLJDGKYSLLALT-BXKDBHETSA-N 1 2 249.314 1.252 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646260757 388171912 /nfs/dbraw/zinc/17/19/12/388171912.db2.gz FWLJDGKYSLLALT-BXKDBHETSA-N 1 2 249.314 1.252 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)c(C)o1 ZINC000646257832 388172295 /nfs/dbraw/zinc/17/22/95/388172295.db2.gz LZAGXPJXTGXNQV-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)c(C)o1 ZINC000646257832 388172297 /nfs/dbraw/zinc/17/22/97/388172297.db2.gz LZAGXPJXTGXNQV-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000164246300 388176227 /nfs/dbraw/zinc/17/62/27/388176227.db2.gz IKPFTRYMQSCPTH-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000164246300 388176230 /nfs/dbraw/zinc/17/62/30/388176230.db2.gz IKPFTRYMQSCPTH-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CC(C)[N@H+](Cc1cnc2ccccn12)C1COC1 ZINC000449352645 388179898 /nfs/dbraw/zinc/17/98/98/388179898.db2.gz XIRVFNRBEWNAAW-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CC(C)[N@@H+](Cc1cnc2ccccn12)C1COC1 ZINC000449352645 388179899 /nfs/dbraw/zinc/17/98/99/388179899.db2.gz XIRVFNRBEWNAAW-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CC[C@H](NCc1[nH+]ccn1C)C(F)F ZINC000449364625 388183486 /nfs/dbraw/zinc/18/34/86/388183486.db2.gz SSWKBPQVHBAJOG-ZETCQYMHSA-N 1 2 203.236 1.553 20 0 BDADLO CC[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H](C)O ZINC000456206089 388185041 /nfs/dbraw/zinc/18/50/41/388185041.db2.gz GHKAYTZEIKSFSD-GXSJLCMTSA-N 1 2 247.298 1.224 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000448896302 388118536 /nfs/dbraw/zinc/11/85/36/388118536.db2.gz GIRJUFFSUBVSFN-VWYCJHECSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CC=CCC1 ZINC000448952435 388122841 /nfs/dbraw/zinc/12/28/41/388122841.db2.gz RCFLEMVKMOILBK-CYBMUJFWSA-N 1 2 233.315 1.815 20 0 BDADLO COCC[N@H+](Cc1nccnc1OC)C1CC1 ZINC000449009804 388128167 /nfs/dbraw/zinc/12/81/67/388128167.db2.gz JCJHFAIBNBTKHZ-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COCC[N@@H+](Cc1nccnc1OC)C1CC1 ZINC000449009804 388128168 /nfs/dbraw/zinc/12/81/68/388128168.db2.gz JCJHFAIBNBTKHZ-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000449014067 388130047 /nfs/dbraw/zinc/13/00/47/388130047.db2.gz NXXXQQHLUQYNNC-VHSXEESVSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000449014067 388130049 /nfs/dbraw/zinc/13/00/49/388130049.db2.gz NXXXQQHLUQYNNC-VHSXEESVSA-N 1 2 238.335 1.216 20 0 BDADLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCO ZINC000646064156 388135122 /nfs/dbraw/zinc/13/51/22/388135122.db2.gz IJPRLAIFHUIXDG-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCO ZINC000646064156 388135124 /nfs/dbraw/zinc/13/51/24/388135124.db2.gz IJPRLAIFHUIXDG-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC(CF)CF ZINC000455032839 388145815 /nfs/dbraw/zinc/14/58/15/388145815.db2.gz JSOKNBKBGDMOGM-UHFFFAOYSA-N 1 2 229.230 1.241 20 0 BDADLO O=C1CCCN1[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641530712 388150848 /nfs/dbraw/zinc/15/08/48/388150848.db2.gz RUFBZHQWXVAHKQ-JTQLQIEISA-N 1 2 249.289 1.422 20 0 BDADLO CO[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H]1OC ZINC000641531661 388151081 /nfs/dbraw/zinc/15/10/81/388151081.db2.gz DIKSLXFKHAFPFX-PHIMTYICSA-N 1 2 226.251 1.071 20 0 BDADLO C/C=C/C=C\C(=O)N(C)Cc1[nH+]ccn1C ZINC000490822902 388255428 /nfs/dbraw/zinc/25/54/28/388255428.db2.gz PDBKVSDDEJNVSO-DEQVHDEQSA-N 1 2 219.288 1.511 20 0 BDADLO FCC(CF)[NH2+]Cc1cccc2c[nH]nc21 ZINC000449381848 388188872 /nfs/dbraw/zinc/18/88/72/388188872.db2.gz TZBIFBFBUVGGBM-UHFFFAOYSA-N 1 2 225.242 1.960 20 0 BDADLO COC(=O)c1cc(C[NH2+]C(CF)CF)cn1C ZINC000449380667 388188901 /nfs/dbraw/zinc/18/89/01/388188901.db2.gz OAOFEGPFNVMKAA-UHFFFAOYSA-N 1 2 246.257 1.209 20 0 BDADLO Cn1cnc2cc(C[NH2+]C(CF)CF)ccc21 ZINC000449380548 388188915 /nfs/dbraw/zinc/18/89/15/388188915.db2.gz NSWPMPZZZYMLAJ-UHFFFAOYSA-N 1 2 239.269 1.971 20 0 BDADLO COC(=O)c1ccc(C[NH2+]C(CF)CF)[nH]1 ZINC000449382167 388189086 /nfs/dbraw/zinc/18/90/86/388189086.db2.gz VEMBXBDGZNUZKL-UHFFFAOYSA-N 1 2 232.230 1.199 20 0 BDADLO Cc1ccoc1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488702158 388192178 /nfs/dbraw/zinc/19/21/78/388192178.db2.gz HYPZJEKVHGNWKV-UHFFFAOYSA-N 1 2 247.302 1.181 20 0 BDADLO Cc1ccoc1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488702158 388192180 /nfs/dbraw/zinc/19/21/80/388192180.db2.gz HYPZJEKVHGNWKV-UHFFFAOYSA-N 1 2 247.302 1.181 20 0 BDADLO CCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456341418 388192846 /nfs/dbraw/zinc/19/28/46/388192846.db2.gz FIPWKYWPFWUTNU-SECBINFHSA-N 1 2 209.293 1.880 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC000456365625 388197561 /nfs/dbraw/zinc/19/75/61/388197561.db2.gz VZJVEHNJTXHCFA-NXEZZACHSA-N 1 2 239.319 1.097 20 0 BDADLO COCCn1cc(C[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000449416691 388198709 /nfs/dbraw/zinc/19/87/09/388198709.db2.gz VCRSYJFPGBOYMQ-SECBINFHSA-N 1 2 247.289 1.663 20 0 BDADLO CO[C@@H]([C@H](C)NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000456617712 388210813 /nfs/dbraw/zinc/21/08/13/388210813.db2.gz YEQVGRPKNZEHEC-CPCISQLKSA-N 1 2 237.303 1.261 20 0 BDADLO COCCc1noc(C[N@H+](C)[C@H]2CC2(C)C)n1 ZINC000489432486 388213170 /nfs/dbraw/zinc/21/31/70/388213170.db2.gz UVRSIILUESNCMQ-VIFPVBQESA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1noc(C[N@@H+](C)[C@H]2CC2(C)C)n1 ZINC000489432486 388213172 /nfs/dbraw/zinc/21/31/72/388213172.db2.gz UVRSIILUESNCMQ-VIFPVBQESA-N 1 2 239.319 1.489 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]2C(C)C)cc[nH+]1 ZINC000450814541 388259331 /nfs/dbraw/zinc/25/93/31/388259331.db2.gz VYZCEYYIMBCGDW-QWRGUYRKSA-N 1 2 205.305 1.911 20 0 BDADLO Cc1nc(N2C[C@H](C)CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000489959076 388229017 /nfs/dbraw/zinc/22/90/17/388229017.db2.gz XQSOEQZYFHLWSG-NXEZZACHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)CC[C@H]2C)[nH+]1 ZINC000489959076 388229018 /nfs/dbraw/zinc/22/90/18/388229018.db2.gz XQSOEQZYFHLWSG-NXEZZACHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N2C[C@@H](C)CC2(C)C)nc(N(C)C)[nH+]1 ZINC000490062628 388233122 /nfs/dbraw/zinc/23/31/22/388233122.db2.gz QGXCZHNBLLBEAC-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)CC2(C)C)[nH+]1 ZINC000490062628 388233124 /nfs/dbraw/zinc/23/31/24/388233124.db2.gz QGXCZHNBLLBEAC-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000490063113 388233418 /nfs/dbraw/zinc/23/34/18/388233418.db2.gz NHAYLQTVDUTMNA-DTWKUNHWSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H](C)[C@H]2C)[nH+]1 ZINC000490063113 388233421 /nfs/dbraw/zinc/23/34/21/388233421.db2.gz NHAYLQTVDUTMNA-DTWKUNHWSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N2CC[C@@H](C(C)C)C2)nc(N(C)C)[nH+]1 ZINC000490078743 388234736 /nfs/dbraw/zinc/23/47/36/388234736.db2.gz IOHDNHLEJHCWFV-LLVKDONJSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C(C)C)C2)[nH+]1 ZINC000490078743 388234738 /nfs/dbraw/zinc/23/47/38/388234738.db2.gz IOHDNHLEJHCWFV-LLVKDONJSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000490427413 388238568 /nfs/dbraw/zinc/23/85/68/388238568.db2.gz RLGUCAJPKKAMSO-VIFPVBQESA-N 1 2 245.344 1.453 20 0 BDADLO Cc1occc1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000490427413 388238569 /nfs/dbraw/zinc/23/85/69/388238569.db2.gz RLGUCAJPKKAMSO-VIFPVBQESA-N 1 2 245.344 1.453 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cn(C)nc1C ZINC000450871463 388260229 /nfs/dbraw/zinc/26/02/29/388260229.db2.gz NNYCGFKFDFFREP-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cn(C)nc1C ZINC000450871463 388260230 /nfs/dbraw/zinc/26/02/30/388260230.db2.gz NNYCGFKFDFFREP-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO C[C@H](O)C[N@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000449632576 388244701 /nfs/dbraw/zinc/24/47/01/388244701.db2.gz ROBQRHWJIDWVBE-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000449632576 388244703 /nfs/dbraw/zinc/24/47/03/388244703.db2.gz ROBQRHWJIDWVBE-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)[nH]1 ZINC000451577331 388282681 /nfs/dbraw/zinc/28/26/81/388282681.db2.gz VQIDLISIHNHQNC-UWVGGRQHSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)[nH]1 ZINC000451577331 388282683 /nfs/dbraw/zinc/28/26/83/388282683.db2.gz VQIDLISIHNHQNC-UWVGGRQHSA-N 1 2 238.335 1.224 20 0 BDADLO OCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793649 388296762 /nfs/dbraw/zinc/29/67/62/388296762.db2.gz BWKCPJQSSOCCCU-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793649 388296763 /nfs/dbraw/zinc/29/67/63/388296763.db2.gz BWKCPJQSSOCCCU-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO CCc1nc(C[NH2+][C@H]2COCC2(C)C)no1 ZINC000451809188 388298012 /nfs/dbraw/zinc/29/80/12/388298012.db2.gz LZQMDCDMIBKSFC-QMMMGPOBSA-N 1 2 225.292 1.147 20 0 BDADLO C[C@H](O)C[N@H+](CCC(C)(C)O)CC(F)F ZINC000451825591 388298825 /nfs/dbraw/zinc/29/88/25/388298825.db2.gz BMMDGWFNVKYGNH-QMMMGPOBSA-N 1 2 225.279 1.095 20 0 BDADLO C[C@H](O)C[N@@H+](CCC(C)(C)O)CC(F)F ZINC000451825591 388298827 /nfs/dbraw/zinc/29/88/27/388298827.db2.gz BMMDGWFNVKYGNH-QMMMGPOBSA-N 1 2 225.279 1.095 20 0 BDADLO C[C@@H](O)C[N@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000451826834 388298928 /nfs/dbraw/zinc/29/89/28/388298928.db2.gz FULLCEONXCMHCH-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H](O)C[N@@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000451826834 388298929 /nfs/dbraw/zinc/29/89/29/388298929.db2.gz FULLCEONXCMHCH-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H](O)C[N@H+](CCCCF)CC(F)F ZINC000451825748 388298988 /nfs/dbraw/zinc/29/89/88/388298988.db2.gz DKZXYYVUVGYYNI-MRVPVSSYSA-N 1 2 213.243 1.684 20 0 BDADLO C[C@@H](O)C[N@@H+](CCCCF)CC(F)F ZINC000451825748 388298990 /nfs/dbraw/zinc/29/89/90/388298990.db2.gz DKZXYYVUVGYYNI-MRVPVSSYSA-N 1 2 213.243 1.684 20 0 BDADLO COCCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451848245 388300325 /nfs/dbraw/zinc/30/03/25/388300325.db2.gz IHUSVANXCHQXKQ-SNVBAGLBSA-N 1 2 239.306 1.751 20 0 BDADLO COCCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451848245 388300327 /nfs/dbraw/zinc/30/03/27/388300327.db2.gz IHUSVANXCHQXKQ-SNVBAGLBSA-N 1 2 239.306 1.751 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cscn2)cc[nH+]1 ZINC000491883013 388326281 /nfs/dbraw/zinc/32/62/81/388326281.db2.gz FLJRBUUMKMTZGI-IHWYPQMZSA-N 1 2 245.307 1.920 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000493829128 256616164 /nfs/dbraw/zinc/61/61/64/256616164.db2.gz WHFCMSQJIGAABH-PGLGOXFNSA-N 1 2 231.299 1.681 20 0 BDADLO FCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000451391077 388268910 /nfs/dbraw/zinc/26/89/10/388268910.db2.gz FCXVUJMXUFTMFV-UHFFFAOYSA-N 1 2 238.310 1.864 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(CCO)CC2)[nH+]1 ZINC000491171912 388274428 /nfs/dbraw/zinc/27/44/28/388274428.db2.gz OEMMIGQENPQYMV-UHFFFAOYSA-N 1 2 246.314 1.263 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)no1 ZINC000451489318 388277043 /nfs/dbraw/zinc/27/70/43/388277043.db2.gz HHMMXSYQICDZLI-RKDXNWHRSA-N 1 2 239.319 1.535 20 0 BDADLO COC(=O)N1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000492437768 388344277 /nfs/dbraw/zinc/34/42/77/388344277.db2.gz RMZCESGNRWYUKH-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO C[C@@H]([NH2+]CCC(F)(F)F)c1ncn(C)n1 ZINC000275671797 388345185 /nfs/dbraw/zinc/34/51/85/388345185.db2.gz ZDFJANMGBZEBCT-ZCFIWIBFSA-N 1 2 222.214 1.418 20 0 BDADLO C[C@](O)(C[NH2+]Cc1cocn1)C(F)(F)F ZINC000277113957 388352742 /nfs/dbraw/zinc/35/27/42/388352742.db2.gz XWCAVHSDVXOJRO-ZETCQYMHSA-N 1 2 224.182 1.078 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ncn(C)n1 ZINC000278375395 388355148 /nfs/dbraw/zinc/35/51/48/388355148.db2.gz LBFKWGYDMPUIRD-UWVGGRQHSA-N 1 2 222.292 1.158 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCc3c2cccc3O)n1 ZINC000293666801 388357800 /nfs/dbraw/zinc/35/78/00/388357800.db2.gz UKXUQUVBVDMQAH-GFCCVEGCSA-N 1 2 244.298 1.298 20 0 BDADLO CCC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524398396 388358413 /nfs/dbraw/zinc/35/84/13/388358413.db2.gz CVHIUCCJLPYVEE-UHFFFAOYSA-N 1 2 221.304 1.703 20 0 BDADLO COC[C@@H](C)N(C)c1nc[nH+]c(N)c1Cl ZINC000234694372 388358747 /nfs/dbraw/zinc/35/87/47/388358747.db2.gz XWTRPDAIVOEBKN-ZCFIWIBFSA-N 1 2 230.699 1.183 20 0 BDADLO COC[C@@H](C)N(C)c1[nH+]cnc(N)c1Cl ZINC000234694372 388358749 /nfs/dbraw/zinc/35/87/49/388358749.db2.gz XWTRPDAIVOEBKN-ZCFIWIBFSA-N 1 2 230.699 1.183 20 0 BDADLO CO[C@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000292809649 388383363 /nfs/dbraw/zinc/38/33/63/388383363.db2.gz NYHQHPLHMXSJEM-SNVBAGLBSA-N 1 2 247.302 1.200 20 0 BDADLO Cc1cc(NC[C@]2(O)CCC[C@@H]2C)nc[nH+]1 ZINC000328194208 388406400 /nfs/dbraw/zinc/40/64/00/388406400.db2.gz QYEFVXBOPLYAPJ-JOYOIKCWSA-N 1 2 221.304 1.748 20 0 BDADLO CCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000572973201 388401033 /nfs/dbraw/zinc/40/10/33/388401033.db2.gz QDCWDYYQFYYCSS-UHFFFAOYSA-N 1 2 247.298 1.409 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cscn1 ZINC000492072438 388333833 /nfs/dbraw/zinc/33/38/33/388333833.db2.gz JJAWAJMWSDCMEC-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCC1 ZINC000492262760 388339743 /nfs/dbraw/zinc/33/97/43/388339743.db2.gz QJSBIHUCGZKDSO-WAYWQWQTSA-N 1 2 219.288 1.539 20 0 BDADLO Nc1cc(CN(CC(F)F)C2CC2)cc[nH+]1 ZINC000299217777 388440456 /nfs/dbraw/zinc/44/04/56/388440456.db2.gz ICGQPRGQKMPBPM-UHFFFAOYSA-N 1 2 227.258 1.893 20 0 BDADLO CC(F)(F)CC(=O)NCc1c[nH+]c[nH]1 ZINC000330384838 388443782 /nfs/dbraw/zinc/44/37/82/388443782.db2.gz ZYIQZVZHIITVEL-UHFFFAOYSA-N 1 2 203.192 1.071 20 0 BDADLO CC(F)(F)CC(=O)NCc1c[nH]c[nH+]1 ZINC000330384838 388443786 /nfs/dbraw/zinc/44/37/86/388443786.db2.gz ZYIQZVZHIITVEL-UHFFFAOYSA-N 1 2 203.192 1.071 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000649210545 388459028 /nfs/dbraw/zinc/45/90/28/388459028.db2.gz ZYUBYSBUBWFVFM-CMPLNLGQSA-N 1 2 247.342 1.608 20 0 BDADLO CO[C@H](CNc1cc(C)[nH+]cn1)C1CC1 ZINC000338795265 388478678 /nfs/dbraw/zinc/47/86/78/388478678.db2.gz SHQNFWHHLSJRRQ-SNVBAGLBSA-N 1 2 207.277 1.044 20 0 BDADLO C[C@H](CC(C)(C)O)Nc1nc[nH+]c(N)c1Cl ZINC000295070249 388407336 /nfs/dbraw/zinc/40/73/36/388407336.db2.gz WIBQRIFVWXOPPY-ZCFIWIBFSA-N 1 2 244.726 1.674 20 0 BDADLO C[C@H](CC(C)(C)O)Nc1[nH+]cnc(N)c1Cl ZINC000295070249 388407337 /nfs/dbraw/zinc/40/73/37/388407337.db2.gz WIBQRIFVWXOPPY-ZCFIWIBFSA-N 1 2 244.726 1.674 20 0 BDADLO O=C(C1CC=CC1)N1CC(n2cc[nH+]c2)C1 ZINC000524859792 388412083 /nfs/dbraw/zinc/41/20/83/388412083.db2.gz YEUQCCJEGIWWNU-UHFFFAOYSA-N 1 2 217.272 1.233 20 0 BDADLO CC(F)(F)CCCNC(=O)Cn1cc[nH+]c1 ZINC000573098515 388419423 /nfs/dbraw/zinc/41/94/23/388419423.db2.gz UIDOQCPPNPGMRI-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)(F)F ZINC000336886494 388427201 /nfs/dbraw/zinc/42/72/01/388427201.db2.gz CBAWFZBWFOPLNO-SSDOTTSWSA-N 1 2 231.246 1.659 20 0 BDADLO Cc1[nH]c(CN[C@H](CCO)c2ccco2)[nH+]c1C ZINC000517176723 388540883 /nfs/dbraw/zinc/54/08/83/388540883.db2.gz QJGVNLCUXVWIII-LLVKDONJSA-N 1 2 249.314 1.833 20 0 BDADLO CC[C@H](O)CCCNc1nc(C)[nH+]cc1C ZINC000517246192 388546229 /nfs/dbraw/zinc/54/62/29/388546229.db2.gz NMIGRJMFYACJHU-NSHDSACASA-N 1 2 223.320 1.478 20 0 BDADLO Cc1cc(N)nc(SCc2ccno2)[nH+]1 ZINC000078342736 388498547 /nfs/dbraw/zinc/49/85/47/388498547.db2.gz KMVXUPBXWHEPHJ-UHFFFAOYSA-N 1 2 222.273 1.648 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000547999800 388502300 /nfs/dbraw/zinc/50/23/00/388502300.db2.gz QMCBQWAYVFYUOS-GXSJLCMTSA-N 1 2 221.304 1.267 20 0 BDADLO CN1C(=O)c2ccccc2N[C@H]1c1c[nH]c[nH+]1 ZINC000078753390 388511608 /nfs/dbraw/zinc/51/16/08/388511608.db2.gz YFNRQUNWJPQTRI-LLVKDONJSA-N 1 2 228.255 1.606 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cnn(C)c1 ZINC000345346714 388512740 /nfs/dbraw/zinc/51/27/40/388512740.db2.gz CTUJTRLMSYMSNE-JFGNBEQYSA-N 1 2 245.330 1.973 20 0 BDADLO NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000078934297 388517864 /nfs/dbraw/zinc/51/78/64/388517864.db2.gz JQHNUUHDHMEALC-UHFFFAOYSA-N 1 2 230.271 1.100 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000528400766 388520136 /nfs/dbraw/zinc/52/01/36/388520136.db2.gz PSNZEPLWPSHYBF-UITAMQMPSA-N 1 2 230.739 1.682 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000528400766 388520138 /nfs/dbraw/zinc/52/01/38/388520138.db2.gz PSNZEPLWPSHYBF-UITAMQMPSA-N 1 2 230.739 1.682 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCc1cccs1 ZINC000548191952 388520987 /nfs/dbraw/zinc/52/09/87/388520987.db2.gz NHIISFHKIYUKFI-UHFFFAOYSA-N 1 2 249.339 1.383 20 0 BDADLO COc1ccnc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000548191505 388521344 /nfs/dbraw/zinc/52/13/44/388521344.db2.gz FHZXXCLJWWUNKF-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548255330 388523284 /nfs/dbraw/zinc/52/32/84/388523284.db2.gz KOFYQFMALNZOMR-JTQLQIEISA-N 1 2 247.342 1.752 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000528452410 388529059 /nfs/dbraw/zinc/52/90/59/388529059.db2.gz UAFMGUMRLSHGGG-HJUGMNLHSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000528452410 388529062 /nfs/dbraw/zinc/52/90/62/388529062.db2.gz UAFMGUMRLSHGGG-HJUGMNLHSA-N 1 2 233.739 1.601 20 0 BDADLO CCN1CC[N@H+](C/C=C(/C)Cl)[C@H](C)C1=O ZINC000528465285 388530102 /nfs/dbraw/zinc/53/01/02/388530102.db2.gz OTQAJVAHEKHSFA-HYHWUIIZSA-N 1 2 230.739 1.682 20 0 BDADLO CCN1CC[N@@H+](C/C=C(/C)Cl)[C@H](C)C1=O ZINC000528465285 388530104 /nfs/dbraw/zinc/53/01/04/388530104.db2.gz OTQAJVAHEKHSFA-HYHWUIIZSA-N 1 2 230.739 1.682 20 0 BDADLO CCN1CCC[N@H+](C/C=C(/C)Cl)CC1=O ZINC000528471081 388531066 /nfs/dbraw/zinc/53/10/66/388531066.db2.gz GYFNIPGCOTXNAI-YHYXMXQVSA-N 1 2 230.739 1.683 20 0 BDADLO CCN1CCC[N@@H+](C/C=C(/C)Cl)CC1=O ZINC000528471081 388531067 /nfs/dbraw/zinc/53/10/67/388531067.db2.gz GYFNIPGCOTXNAI-YHYXMXQVSA-N 1 2 230.739 1.683 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C(/C)Cl)C[C@@H](C)O1 ZINC000528477536 388532462 /nfs/dbraw/zinc/53/24/62/388532462.db2.gz XEIIDHAYJQABFV-BMMYIHMSSA-N 1 2 233.739 1.865 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C(/C)Cl)C[C@@H](C)O1 ZINC000528477536 388532463 /nfs/dbraw/zinc/53/24/63/388532463.db2.gz XEIIDHAYJQABFV-BMMYIHMSSA-N 1 2 233.739 1.865 20 0 BDADLO C/C(Cl)=C\C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000528480414 388532967 /nfs/dbraw/zinc/53/29/67/388532967.db2.gz ZPOBCXPAAVFVGN-DQRKKKBRSA-N 1 2 235.780 1.970 20 0 BDADLO CC1(C)CC(C[N@H+](CCO)CC(F)F)C1 ZINC000528486824 388534524 /nfs/dbraw/zinc/53/45/24/388534524.db2.gz OWXWYDVVTKUSPL-UHFFFAOYSA-N 1 2 221.291 1.982 20 0 BDADLO CC1(C)CC(C[N@@H+](CCO)CC(F)F)C1 ZINC000528486824 388534527 /nfs/dbraw/zinc/53/45/27/388534527.db2.gz OWXWYDVVTKUSPL-UHFFFAOYSA-N 1 2 221.291 1.982 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@]12CCOC2 ZINC000528495207 388535363 /nfs/dbraw/zinc/53/53/63/388535363.db2.gz SOJAYORCTXQMLM-ACHGEACHSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCOC[C@]12CCOC2 ZINC000528495207 388535365 /nfs/dbraw/zinc/53/53/65/388535365.db2.gz SOJAYORCTXQMLM-ACHGEACHSA-N 1 2 231.723 1.620 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)CC(F)F ZINC000648961277 388587281 /nfs/dbraw/zinc/58/72/81/388587281.db2.gz ZTJYTGMWIMPHDD-QMMMGPOBSA-N 1 2 245.273 1.370 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)OCC1CC1 ZINC000184381237 256845058 /nfs/dbraw/zinc/84/50/58/256845058.db2.gz INPBGBPNNKYUII-UHFFFAOYSA-N 1 2 249.314 1.784 20 0 BDADLO CC(C)O[C@@]1(C)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000529971788 388600128 /nfs/dbraw/zinc/60/01/28/388600128.db2.gz LLUZUPPRBUZELY-SKDRFNHKSA-N 1 2 237.303 1.024 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000082314221 388612310 /nfs/dbraw/zinc/61/23/10/388612310.db2.gz LCMULHVETCSYDK-QMMMGPOBSA-N 1 2 239.237 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000082314221 388612312 /nfs/dbraw/zinc/61/23/12/388612312.db2.gz LCMULHVETCSYDK-QMMMGPOBSA-N 1 2 239.237 1.824 20 0 BDADLO CSC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000517451992 388551144 /nfs/dbraw/zinc/55/11/44/388551144.db2.gz FNYIBADUMXPRNB-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000517554062 388553238 /nfs/dbraw/zinc/55/32/38/388553238.db2.gz GXIBKSQMYVMQTF-MRVPVSSYSA-N 1 2 227.333 1.305 20 0 BDADLO Cc1cc(NCCn2cncn2)nc(C(C)C)[nH+]1 ZINC000358745777 388555889 /nfs/dbraw/zinc/55/58/89/388555889.db2.gz XEEIIQOVWIFBJT-UHFFFAOYSA-N 1 2 246.318 1.034 20 0 BDADLO C[C@H](CC(=O)N1CCC12CCC2)n1cc[nH+]c1 ZINC000521255821 388566743 /nfs/dbraw/zinc/56/67/43/388566743.db2.gz IRROWYSEUAEFDZ-LLVKDONJSA-N 1 2 233.315 1.989 20 0 BDADLO CCn1cc[nH+]c1CNc1cc[nH+]cc1C(=O)[O-] ZINC000385322109 388574397 /nfs/dbraw/zinc/57/43/97/388574397.db2.gz OGLUQYNANJMAPJ-UHFFFAOYSA-N 1 2 246.270 1.030 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC1CC1)c1ncccc1F ZINC000528825947 388576588 /nfs/dbraw/zinc/57/65/88/388576588.db2.gz RJYUCBHHIGXKRP-QMMMGPOBSA-N 1 2 237.278 1.150 20 0 BDADLO C[C@@H]1[C@H](C(=O)Nc2cc[nH+]cc2O)[C@H]1C1CC1 ZINC000528914095 388582899 /nfs/dbraw/zinc/58/28/99/388582899.db2.gz GLAACVJKPDSOCB-BPTDKIDVSA-N 1 2 232.283 1.440 20 0 BDADLO CCOCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000522006778 388673706 /nfs/dbraw/zinc/67/37/06/388673706.db2.gz WIMRUGIHZGOCPV-NSHDSACASA-N 1 2 239.319 1.329 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1cnc(C)s1 ZINC000125741915 388675780 /nfs/dbraw/zinc/67/57/80/388675780.db2.gz YYTIUBFNWRSMTR-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1cnc(C)s1 ZINC000125741915 388675783 /nfs/dbraw/zinc/67/57/83/388675783.db2.gz YYTIUBFNWRSMTR-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO Fc1ccc(-c2noc(Cn3cc[nH+]c3)n2)nc1 ZINC000521712296 388626046 /nfs/dbraw/zinc/62/60/46/388626046.db2.gz VSGUNFSPHDEVFN-UHFFFAOYSA-N 1 2 245.217 1.516 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)[nH]1 ZINC000189287268 388629242 /nfs/dbraw/zinc/62/92/42/388629242.db2.gz ASGIFFDIUNXVHU-VHSXEESVSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)[nH]1 ZINC000189287268 388629245 /nfs/dbraw/zinc/62/92/45/388629245.db2.gz ASGIFFDIUNXVHU-VHSXEESVSA-N 1 2 238.335 1.224 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCOCC(F)F ZINC000189331109 388630075 /nfs/dbraw/zinc/63/00/75/388630075.db2.gz IKCJAVTXAWAYJQ-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCOCC(F)F ZINC000189331109 388630077 /nfs/dbraw/zinc/63/00/77/388630077.db2.gz IKCJAVTXAWAYJQ-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083400038 388638848 /nfs/dbraw/zinc/63/88/48/388638848.db2.gz CXDYVPBYPULWKS-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc3ccccn23)[C@@H](C)CO1 ZINC000246660815 388647727 /nfs/dbraw/zinc/64/77/27/388647727.db2.gz JAUIESDKLYGDFQ-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc3ccccn23)[C@@H](C)CO1 ZINC000246660815 388647729 /nfs/dbraw/zinc/64/77/29/388647729.db2.gz JAUIESDKLYGDFQ-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCCF ZINC000551975464 388650630 /nfs/dbraw/zinc/65/06/30/388650630.db2.gz XPTNQUYVLXNBGV-SNVBAGLBSA-N 1 2 249.351 1.717 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCCF ZINC000551975464 388650631 /nfs/dbraw/zinc/65/06/31/388650631.db2.gz XPTNQUYVLXNBGV-SNVBAGLBSA-N 1 2 249.351 1.717 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccncc1)C1CC1 ZINC000190832341 388656895 /nfs/dbraw/zinc/65/68/95/388656895.db2.gz SUNFCEGDEDXESL-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccncc1)C1CC1 ZINC000190832341 388656896 /nfs/dbraw/zinc/65/68/96/388656896.db2.gz SUNFCEGDEDXESL-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO CC(C)(C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522251471 388734834 /nfs/dbraw/zinc/73/48/34/388734834.db2.gz UUMVYTWBVPWPEB-UHFFFAOYSA-N 1 2 221.304 1.703 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCSC ZINC000194736434 388742260 /nfs/dbraw/zinc/74/22/60/388742260.db2.gz ZROYCXBIJBVAER-UHFFFAOYSA-N 1 2 226.301 1.782 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)o1 ZINC000251871420 388755835 /nfs/dbraw/zinc/75/58/35/388755835.db2.gz PBEREUYMZGZCTM-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)o1 ZINC000251871420 388755840 /nfs/dbraw/zinc/75/58/40/388755840.db2.gz PBEREUYMZGZCTM-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248873087 388697816 /nfs/dbraw/zinc/69/78/16/388697816.db2.gz BZIZIQPGTXGWDD-DGCLKSJQSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000248873087 388697818 /nfs/dbraw/zinc/69/78/18/388697818.db2.gz BZIZIQPGTXGWDD-DGCLKSJQSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](CSC)[N@H+](C)Cc1ncnn1CC ZINC000193470567 388707079 /nfs/dbraw/zinc/70/70/79/388707079.db2.gz LEQNCGXNHPDDHO-SNVBAGLBSA-N 1 2 242.392 1.871 20 0 BDADLO CC[C@H](CSC)[N@@H+](C)Cc1ncnn1CC ZINC000193470567 388707083 /nfs/dbraw/zinc/70/70/83/388707083.db2.gz LEQNCGXNHPDDHO-SNVBAGLBSA-N 1 2 242.392 1.871 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000538716344 388708959 /nfs/dbraw/zinc/70/89/59/388708959.db2.gz QYYZTQXAVJVXPB-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000538716344 388708962 /nfs/dbraw/zinc/70/89/62/388708962.db2.gz QYYZTQXAVJVXPB-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000538716343 388709782 /nfs/dbraw/zinc/70/97/82/388709782.db2.gz QYYZTQXAVJVXPB-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000538716343 388709786 /nfs/dbraw/zinc/70/97/86/388709786.db2.gz QYYZTQXAVJVXPB-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO CC(=O)c1sc([C@@H]2COCC[NH2+]2)nc1C ZINC000226468987 388719185 /nfs/dbraw/zinc/71/91/85/388719185.db2.gz XHJLZLIIBZVECI-QMMMGPOBSA-N 1 2 226.301 1.315 20 0 BDADLO NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193938842 388719817 /nfs/dbraw/zinc/71/98/17/388719817.db2.gz MXQQRSIYAKSABA-UHFFFAOYSA-N 1 2 234.303 1.240 20 0 BDADLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)no1 ZINC000127716865 388730447 /nfs/dbraw/zinc/73/04/47/388730447.db2.gz TZMZBOISCMCXIA-UHFFFAOYSA-N 1 2 221.220 1.028 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2csnn2)[C@H]1C ZINC000127805932 388731787 /nfs/dbraw/zinc/73/17/87/388731787.db2.gz JXTADRQZYGZEGB-JGVFFNPUSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2csnn2)[C@H]1C ZINC000127805932 388731788 /nfs/dbraw/zinc/73/17/88/388731788.db2.gz JXTADRQZYGZEGB-JGVFFNPUSA-N 1 2 229.374 1.864 20 0 BDADLO CCn1cc(CN(C)c2cccc[nH+]2)cn1 ZINC000522241998 388732015 /nfs/dbraw/zinc/73/20/15/388732015.db2.gz WULVESKNOARSIW-UHFFFAOYSA-N 1 2 216.288 1.934 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)CCO1 ZINC000540658237 388813874 /nfs/dbraw/zinc/81/38/74/388813874.db2.gz HVFKUPKCHQSBQV-GHMZBOCLSA-N 1 2 249.314 1.082 20 0 BDADLO FC(F)(F)[C@H](NCc1[nH]cc[nH+]1)C1CC1 ZINC000288562977 388802644 /nfs/dbraw/zinc/80/26/44/388802644.db2.gz YYBCSJWYFOUSJP-MRVPVSSYSA-N 1 2 219.210 1.840 20 0 BDADLO Cn1cc[nH+]c1[C@H](Nc1ncccn1)C1CC1 ZINC000553265691 388758956 /nfs/dbraw/zinc/75/89/56/388758956.db2.gz YELCRIMLRHLTKS-SNVBAGLBSA-N 1 2 229.287 1.773 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553340606 388765347 /nfs/dbraw/zinc/76/53/47/388765347.db2.gz OMRVHEFHBVZHOF-UHFFFAOYSA-N 1 2 236.319 1.307 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000553607967 388784980 /nfs/dbraw/zinc/78/49/80/388784980.db2.gz LPSLIDBGZRUWGK-JTQLQIEISA-N 1 2 207.277 1.140 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1csnn1 ZINC000539926705 388788812 /nfs/dbraw/zinc/78/88/12/388788812.db2.gz CFUWPCHBGKYRNJ-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1csnn1 ZINC000539926705 388788815 /nfs/dbraw/zinc/78/88/15/388788815.db2.gz CFUWPCHBGKYRNJ-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO Cc1ncsc1CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229508385 388791636 /nfs/dbraw/zinc/79/16/36/388791636.db2.gz CBLZZSMRBPOYRD-VIFPVBQESA-N 1 2 238.356 1.905 20 0 BDADLO Cc1ncsc1CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229508385 388791640 /nfs/dbraw/zinc/79/16/40/388791640.db2.gz CBLZZSMRBPOYRD-VIFPVBQESA-N 1 2 238.356 1.905 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000555228457 388843202 /nfs/dbraw/zinc/84/32/02/388843202.db2.gz QEROCYWKVWBGDH-OUAUKWLOSA-N 1 2 247.342 1.819 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000555228457 388843204 /nfs/dbraw/zinc/84/32/04/388843204.db2.gz QEROCYWKVWBGDH-OUAUKWLOSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000555224095 388843879 /nfs/dbraw/zinc/84/38/79/388843879.db2.gz ZUYUCRQUHDSQOT-ZJUUUORDSA-N 1 2 207.277 1.140 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](CO)[C@H]2C)cc[nH+]1 ZINC000336548465 177702864 /nfs/dbraw/zinc/70/28/64/177702864.db2.gz FLDROYIGTOKWNK-GHMZBOCLSA-N 1 2 249.314 1.047 20 0 BDADLO O=S1(=O)CCC[C@@H](CNc2cccc[nH+]2)C1 ZINC000288654344 388830637 /nfs/dbraw/zinc/83/06/37/388830637.db2.gz YHHDHBMLGPWDRY-JTQLQIEISA-N 1 2 240.328 1.318 20 0 BDADLO CC(C)(C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000033994352 388836914 /nfs/dbraw/zinc/83/69/14/388836914.db2.gz NIACIDSHDVLQAS-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO CC(C)(C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000033994352 388836916 /nfs/dbraw/zinc/83/69/16/388836916.db2.gz NIACIDSHDVLQAS-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](C)OC ZINC000541074083 388838087 /nfs/dbraw/zinc/83/80/87/388838087.db2.gz JDLINUDJXYRKGF-ZJUUUORDSA-N 1 2 247.360 1.002 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](C)OC ZINC000541074083 388838088 /nfs/dbraw/zinc/83/80/88/388838088.db2.gz JDLINUDJXYRKGF-ZJUUUORDSA-N 1 2 247.360 1.002 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1nnc(C2CC2)o1 ZINC000555040102 388838470 /nfs/dbraw/zinc/83/84/70/388838470.db2.gz GGKAUVPRLHMKLT-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H](CO)O1 ZINC000299909018 135381642 /nfs/dbraw/zinc/38/16/42/135381642.db2.gz KFUGTJWNDMJVRZ-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000541845795 388869420 /nfs/dbraw/zinc/86/94/20/388869420.db2.gz RFXCEEPBTIULGJ-ZDUSSCGKSA-N 1 2 239.315 1.629 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000541845795 388869422 /nfs/dbraw/zinc/86/94/22/388869422.db2.gz RFXCEEPBTIULGJ-ZDUSSCGKSA-N 1 2 239.315 1.629 20 0 BDADLO CCn1cc[nH+]c1CN[C@@H](C)C(=O)OC(C)C ZINC000556173486 388869906 /nfs/dbraw/zinc/86/99/06/388869906.db2.gz XCPOETUHEBMSOC-JTQLQIEISA-N 1 2 239.319 1.333 20 0 BDADLO CCOCCC(=O)NCCCCn1cc[nH+]c1 ZINC000523662973 388850558 /nfs/dbraw/zinc/85/05/58/388850558.db2.gz KQECBMUYFAIJGK-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649166442 388886062 /nfs/dbraw/zinc/88/60/62/388886062.db2.gz DBGJYTQNRHCBBD-IJLUTSLNSA-N 1 2 247.342 1.658 20 0 BDADLO CC(C)(NC(=O)c1ccoc1)c1[nH]cc[nH+]1 ZINC000564738482 388887251 /nfs/dbraw/zinc/88/72/51/388887251.db2.gz CUJZRVUWUULRGH-UHFFFAOYSA-N 1 2 219.244 1.668 20 0 BDADLO CO[C@H](C[N@@H+]1CCC[C@@H]1c1ncon1)C1CC1 ZINC000564880107 388896188 /nfs/dbraw/zinc/89/61/88/388896188.db2.gz BVSMIDATGFEUSY-GHMZBOCLSA-N 1 2 237.303 1.632 20 0 BDADLO CO[C@H](C[N@H+]1CCC[C@@H]1c1ncon1)C1CC1 ZINC000564880107 388896189 /nfs/dbraw/zinc/89/61/89/388896189.db2.gz BVSMIDATGFEUSY-GHMZBOCLSA-N 1 2 237.303 1.632 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)no1 ZINC000564921590 388897601 /nfs/dbraw/zinc/89/76/01/388897601.db2.gz YDIRBAGXZHJZSV-GFCCVEGCSA-N 1 2 244.298 1.763 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](c3cccnc3)C2)no1 ZINC000564921590 388897605 /nfs/dbraw/zinc/89/76/05/388897605.db2.gz YDIRBAGXZHJZSV-GFCCVEGCSA-N 1 2 244.298 1.763 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000564916182 388898202 /nfs/dbraw/zinc/89/82/02/388898202.db2.gz SHINHAHIYGAWHA-SNVBAGLBSA-N 1 2 224.308 1.112 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000564916182 388898205 /nfs/dbraw/zinc/89/82/05/388898205.db2.gz SHINHAHIYGAWHA-SNVBAGLBSA-N 1 2 224.308 1.112 20 0 BDADLO CC(=O)NCC[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC000564928500 388898976 /nfs/dbraw/zinc/89/89/76/388898976.db2.gz LCRHPEDKJHSFFP-SECBINFHSA-N 1 2 225.292 1.112 20 0 BDADLO CC(=O)NCC[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC000564928500 388898980 /nfs/dbraw/zinc/89/89/80/388898980.db2.gz LCRHPEDKJHSFFP-SECBINFHSA-N 1 2 225.292 1.112 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ccsc1Cl ZINC000564990957 388906520 /nfs/dbraw/zinc/90/65/20/388906520.db2.gz QQFOFKUQYHYQFZ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ccsc1Cl ZINC000564990957 388906522 /nfs/dbraw/zinc/90/65/22/388906522.db2.gz QQFOFKUQYHYQFZ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CS[C@@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000565106979 388915269 /nfs/dbraw/zinc/91/52/69/388915269.db2.gz ISKVAINZJNPFDO-QMMMGPOBSA-N 1 2 241.360 1.821 20 0 BDADLO CC(C)(NC(=O)C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000565108493 388916292 /nfs/dbraw/zinc/91/62/92/388916292.db2.gz ZMTSHDDCCPEIEB-SECBINFHSA-N 1 2 237.303 1.330 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@]2(C)CCCOC2)C1 ZINC000565189214 388917464 /nfs/dbraw/zinc/91/74/64/388917464.db2.gz AJHSTVHPEABAEN-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@](C)(CO)C(=O)Nc1c[nH+]ccc1OC ZINC000565179092 388922949 /nfs/dbraw/zinc/92/29/49/388922949.db2.gz DKRXAOFVDURKNM-LBPRGKRZSA-N 1 2 238.287 1.437 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC1(O)CCC1 ZINC000565230507 388930213 /nfs/dbraw/zinc/93/02/13/388930213.db2.gz SNZJRCJXUAEWBL-UHFFFAOYSA-N 1 2 221.304 1.445 20 0 BDADLO C[C@H](CC(F)F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000565609326 388959145 /nfs/dbraw/zinc/95/91/45/388959145.db2.gz VQPHEWNKLSIMSI-RNFRBKRXSA-N 1 2 231.246 1.878 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000565475532 388945495 /nfs/dbraw/zinc/94/54/95/388945495.db2.gz ANRNEAHFQBVFAY-NSHDSACASA-N 1 2 229.270 1.835 20 0 BDADLO C[C@H](CC(=O)Nc1nncs1)n1cc[nH+]c1 ZINC000565894545 388976265 /nfs/dbraw/zinc/97/62/65/388976265.db2.gz JYRVCYAJJQRIFM-SSDOTTSWSA-N 1 2 237.288 1.324 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1nccn1C ZINC000153469102 388977006 /nfs/dbraw/zinc/97/70/06/388977006.db2.gz UFGAMFQXSLVPMY-UHFFFAOYSA-N 1 2 239.363 1.915 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1nccn1C ZINC000153469102 388977010 /nfs/dbraw/zinc/97/70/10/388977010.db2.gz UFGAMFQXSLVPMY-UHFFFAOYSA-N 1 2 239.363 1.915 20 0 BDADLO COC(=O)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC000266447816 388994110 /nfs/dbraw/zinc/99/41/10/388994110.db2.gz WXTDACOJLVUCID-ZETCQYMHSA-N 1 2 209.249 1.006 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CSC(C)(C)C ZINC000267081093 388997536 /nfs/dbraw/zinc/99/75/36/388997536.db2.gz KEOXJYQAKGZYQB-UHFFFAOYSA-N 1 2 241.360 1.866 20 0 BDADLO FC(F)[C@@H]1C[C@@H]1[NH2+]Cc1csnn1 ZINC000348103563 136036801 /nfs/dbraw/zinc/03/68/01/136036801.db2.gz FXDQJBSOBOSRKY-RITPCOANSA-N 1 2 205.233 1.281 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccncc1 ZINC000495070188 533393523 /nfs/dbraw/zinc/39/35/23/533393523.db2.gz VBUQADWDVYXNHL-CXLRFSCWSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1C/C=C/c1ccncc1 ZINC000495070188 533393526 /nfs/dbraw/zinc/39/35/26/533393526.db2.gz VBUQADWDVYXNHL-CXLRFSCWSA-N 1 2 246.310 1.732 20 0 BDADLO c1ccc(N2CCO[C@H]3CCC[C@@H]32)[nH+]c1 ZINC000271638594 132199719 /nfs/dbraw/zinc/19/97/19/132199719.db2.gz PGKFIJUZDKNTJI-QWRGUYRKSA-N 1 2 204.273 1.839 20 0 BDADLO C[C@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000277576663 132207240 /nfs/dbraw/zinc/20/72/40/132207240.db2.gz SAPHKPJLQWELQK-NSHDSACASA-N 1 2 248.330 1.159 20 0 BDADLO C[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277576663 132207243 /nfs/dbraw/zinc/20/72/43/132207243.db2.gz SAPHKPJLQWELQK-NSHDSACASA-N 1 2 248.330 1.159 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@H](O)Cc2ccccc21 ZINC000278824615 132208039 /nfs/dbraw/zinc/20/80/39/132208039.db2.gz HSMFNQMBYJVSPF-GFCCVEGCSA-N 1 2 243.310 1.344 20 0 BDADLO CCc1ncnc(N2CCn3c[nH+]cc3C2)c1F ZINC000290808953 132217372 /nfs/dbraw/zinc/21/73/72/132217372.db2.gz ZMRHABJIXUBKME-UHFFFAOYSA-N 1 2 247.277 1.395 20 0 BDADLO CC1=CCCN(c2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000298795944 132222826 /nfs/dbraw/zinc/22/28/26/132222826.db2.gz FDVSIGRPSGHUCD-NSHDSACASA-N 1 2 248.330 1.426 20 0 BDADLO CC1=CCCN(c2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000298795944 132222827 /nfs/dbraw/zinc/22/28/27/132222827.db2.gz FDVSIGRPSGHUCD-NSHDSACASA-N 1 2 248.330 1.426 20 0 BDADLO Cc1cc(N2CC[C@@H](CO)C[C@H]2C)nc[nH+]1 ZINC000341042727 132225838 /nfs/dbraw/zinc/22/58/38/132225838.db2.gz KLIRNDPMDVUYRQ-GHMZBOCLSA-N 1 2 221.304 1.382 20 0 BDADLO CO[C@H]1CCN(c2cccc[nH+]2)C[C@@H]1C ZINC000336271509 132246039 /nfs/dbraw/zinc/24/60/39/132246039.db2.gz WVPHIXAGJKCBJI-QWRGUYRKSA-N 1 2 206.289 1.943 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H](C)O1 ZINC000334050765 132246802 /nfs/dbraw/zinc/24/68/02/132246802.db2.gz RRPLJQDSUPJQIA-UWVGGRQHSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H](C)O1 ZINC000334050765 132246803 /nfs/dbraw/zinc/24/68/03/132246803.db2.gz RRPLJQDSUPJQIA-UWVGGRQHSA-N 1 2 248.330 1.665 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N1CCNC(=O)C1 ZINC000301578752 132255013 /nfs/dbraw/zinc/25/50/13/132255013.db2.gz RJXJVSHWOPSGBQ-UHFFFAOYSA-N 1 2 241.294 1.479 20 0 BDADLO CO[C@@H]1CN(c2cccc[nH+]2)CC[C@H]1C ZINC000302556012 132264299 /nfs/dbraw/zinc/26/42/99/132264299.db2.gz LMWBXRSHIOUHFA-GHMZBOCLSA-N 1 2 206.289 1.943 20 0 BDADLO C[C@@H]1CC[C@H](C(N)=O)CN1c1cccc[nH+]1 ZINC000302655317 132265422 /nfs/dbraw/zinc/26/54/22/132265422.db2.gz KRBVXKZNZWOYKJ-ZJUUUORDSA-N 1 2 219.288 1.172 20 0 BDADLO Cc1cc(N2CCO[C@@]3(CCO[C@H]3C)C2)nc[nH+]1 ZINC000359871827 132278348 /nfs/dbraw/zinc/27/83/48/132278348.db2.gz HNHJSXUJYFIICQ-AAEUAGOBSA-N 1 2 249.314 1.169 20 0 BDADLO c1nnc([C@@H]2CCCN(c3cccc[nH+]3)C2)[nH]1 ZINC000371271046 132284840 /nfs/dbraw/zinc/28/48/40/132284840.db2.gz LNJSBTNRRCCVCH-SNVBAGLBSA-N 1 2 229.287 1.584 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@]2(CCCOC2)O1 ZINC000373634277 132286293 /nfs/dbraw/zinc/28/62/93/132286293.db2.gz DSRHZFRQRFIADF-TZMCWYRMSA-N 1 2 248.326 1.856 20 0 BDADLO CCc1nc(N2CCO[C@@H](C3CC3)C2)cc(C)[nH+]1 ZINC000376418567 132288875 /nfs/dbraw/zinc/28/88/75/132288875.db2.gz CNLKNIPGRILWPZ-GFCCVEGCSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC000049356714 132355919 /nfs/dbraw/zinc/35/59/19/132355919.db2.gz ANKBLYRBDZNZQZ-JTQLQIEISA-N 1 2 249.314 1.113 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@@H]2CCCO2)nc[nH+]1 ZINC000343053303 133615224 /nfs/dbraw/zinc/61/52/24/133615224.db2.gz RZESVPQBLLAAFD-NEPJUHHUSA-N 1 2 233.315 1.933 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]1C(F)F ZINC000345798916 133794046 /nfs/dbraw/zinc/79/40/46/133794046.db2.gz IQLRPSUTPLYGPO-SFYZADRCSA-N 1 2 229.230 1.043 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](CO)C1 ZINC000351932255 134012499 /nfs/dbraw/zinc/01/24/99/134012499.db2.gz YISOIXNTQBJNBM-NSHDSACASA-N 1 2 249.314 1.545 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000335955036 134022831 /nfs/dbraw/zinc/02/28/31/134022831.db2.gz QJIBAPNEGXQQBZ-RKDXNWHRSA-N 1 2 222.292 1.018 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](O)C(C)C ZINC000351966157 134024743 /nfs/dbraw/zinc/02/47/43/134024743.db2.gz XKBVNTGWHBZZRT-SNVBAGLBSA-N 1 2 224.260 1.046 20 0 BDADLO c1cn2c(cccc2CN2CCOCC23CC3)[nH+]1 ZINC000335965945 134027955 /nfs/dbraw/zinc/02/79/55/134027955.db2.gz AKTNLUGPEZHDLH-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO O=C(NCC1CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335975705 134031227 /nfs/dbraw/zinc/03/12/27/134031227.db2.gz GPLZBPFDULQZFP-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccc[nH]2)cn1 ZINC000352006596 134034320 /nfs/dbraw/zinc/03/43/20/134034320.db2.gz UQSQVPHBUMNMRH-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccc[nH]2)cn1 ZINC000352006596 134034321 /nfs/dbraw/zinc/03/43/21/134034321.db2.gz UQSQVPHBUMNMRH-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000335982264 134038208 /nfs/dbraw/zinc/03/82/08/134038208.db2.gz RGBPYPAQLMVMPY-NXEZZACHSA-N 1 2 234.303 1.207 20 0 BDADLO FC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC000335996239 134042253 /nfs/dbraw/zinc/04/22/53/134042253.db2.gz JMURKGYSYJZCKJ-UHFFFAOYSA-N 1 2 205.236 1.488 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+](C)CC[C@H](C)F)n1 ZINC000352050884 134046815 /nfs/dbraw/zinc/04/68/15/134046815.db2.gz WFESZIIUMDXHRB-IUCAKERBSA-N 1 2 245.298 1.957 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+](C)CC[C@H](C)F)n1 ZINC000352050884 134046816 /nfs/dbraw/zinc/04/68/16/134046816.db2.gz WFESZIIUMDXHRB-IUCAKERBSA-N 1 2 245.298 1.957 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCn2cncc2C1 ZINC000336011120 134051386 /nfs/dbraw/zinc/05/13/86/134051386.db2.gz XSVKSPSWKGHZAB-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCn2cncc2C1 ZINC000336011120 134051387 /nfs/dbraw/zinc/05/13/87/134051387.db2.gz XSVKSPSWKGHZAB-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000336055547 134066186 /nfs/dbraw/zinc/06/61/86/134066186.db2.gz NJGZXVNOKXOEJB-OCAPTIKFSA-N 1 2 236.319 1.448 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000336055547 134066187 /nfs/dbraw/zinc/06/61/87/134066187.db2.gz NJGZXVNOKXOEJB-OCAPTIKFSA-N 1 2 236.319 1.448 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000336063354 134069522 /nfs/dbraw/zinc/06/95/22/134069522.db2.gz OHFONJBDOWTWDB-VXNVDRBHSA-N 1 2 207.277 1.637 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)o1)C[C@@H](C)O ZINC000352220301 134109245 /nfs/dbraw/zinc/10/92/45/134109245.db2.gz HESWBIROJSXASO-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)o1)C[C@@H](C)O ZINC000352220301 134109246 /nfs/dbraw/zinc/10/92/46/134109246.db2.gz HESWBIROJSXASO-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(N)=O)c1ccccc1F ZINC000336163431 134111874 /nfs/dbraw/zinc/11/18/74/134111874.db2.gz IIDQCMBNQNHJTF-JTQLQIEISA-N 1 2 248.261 1.317 20 0 BDADLO CCC1(C)CC[NH+](Cc2c[nH]nn2)CC1 ZINC000336186838 134121456 /nfs/dbraw/zinc/12/14/56/134121456.db2.gz FAVICFHJYBJUCO-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CCC1(C)CC[NH+](Cc2cnn[nH]2)CC1 ZINC000336186838 134121457 /nfs/dbraw/zinc/12/14/57/134121457.db2.gz FAVICFHJYBJUCO-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CCC1(C)CC[NH+](Cc2cn[nH]n2)CC1 ZINC000336186838 134121458 /nfs/dbraw/zinc/12/14/58/134121458.db2.gz FAVICFHJYBJUCO-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CS[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000336202892 134131118 /nfs/dbraw/zinc/13/11/18/134131118.db2.gz PFBLQBYUGDOXCB-SECBINFHSA-N 1 2 209.318 1.727 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCCNc1cccc[nH+]1 ZINC000352283245 134131678 /nfs/dbraw/zinc/13/16/78/134131678.db2.gz BZMAQJVDMONTSA-WDEREUQCSA-N 1 2 233.315 1.656 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1F ZINC000168602622 134231323 /nfs/dbraw/zinc/23/13/23/134231323.db2.gz IGCMBWXHOYZTJU-JQWIXIFHSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccccc1F ZINC000168602622 134231324 /nfs/dbraw/zinc/23/13/24/134231324.db2.gz IGCMBWXHOYZTJU-JQWIXIFHSA-N 1 2 239.290 1.407 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000172776514 134269506 /nfs/dbraw/zinc/26/95/06/134269506.db2.gz HUZMGPILVOQWGL-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000172776514 134269507 /nfs/dbraw/zinc/26/95/07/134269507.db2.gz HUZMGPILVOQWGL-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@@H]1CCN(C(=O)NC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000177561793 134300156 /nfs/dbraw/zinc/30/01/56/134300156.db2.gz LWHAUSUUMBIKMQ-PWSUYJOCSA-N 1 2 248.330 1.638 20 0 BDADLO CS[C@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000179320230 134320113 /nfs/dbraw/zinc/32/01/13/134320113.db2.gz ZYZZWOWEFLAEQO-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1cccc(O)c1 ZINC000181548241 134337438 /nfs/dbraw/zinc/33/74/38/134337438.db2.gz DTTJBEWKECDZHK-VIFPVBQESA-N 1 2 244.298 1.615 20 0 BDADLO Cc1c(C[NH2+][C@@H](C)c2nccn2C)cnn1C ZINC000223819427 134342834 /nfs/dbraw/zinc/34/28/34/134342834.db2.gz CXDKUJMBQOIARY-VIFPVBQESA-N 1 2 233.319 1.313 20 0 BDADLO CC[N@H+](Cc1noc(COC)n1)C1CC1 ZINC000182398981 134345011 /nfs/dbraw/zinc/34/50/11/134345011.db2.gz GABLKOMGAOLZNY-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO CC[N@@H+](Cc1noc(COC)n1)C1CC1 ZINC000182398981 134345012 /nfs/dbraw/zinc/34/50/12/134345012.db2.gz GABLKOMGAOLZNY-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO COCc1nc(C[NH+]2CCC(C)CC2)no1 ZINC000182392274 134345125 /nfs/dbraw/zinc/34/51/25/134345125.db2.gz LUYKGLPJKYWKQY-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000183682532 134353274 /nfs/dbraw/zinc/35/32/74/134353274.db2.gz XDNCOTSOEUSSLE-AEJSXWLSSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225427735 134353742 /nfs/dbraw/zinc/35/37/42/134353742.db2.gz QBAMMKMCYXTLRK-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225427735 134353743 /nfs/dbraw/zinc/35/37/43/134353743.db2.gz QBAMMKMCYXTLRK-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1COCc2ccccc21 ZINC000225999481 134358172 /nfs/dbraw/zinc/35/81/72/134358172.db2.gz MPZPYMMGYFFNJH-ZDUSSCGKSA-N 1 2 243.310 1.781 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1C(C)(C)C1(C)C)C1CC1 ZINC000227770903 134393655 /nfs/dbraw/zinc/39/36/55/134393655.db2.gz OVQFEKQPMSWLSJ-VIFPVBQESA-N 1 2 225.332 1.962 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@]1(C)CCCO1)C1CC1 ZINC000227771154 134394296 /nfs/dbraw/zinc/39/42/96/134394296.db2.gz LLTXPRJGIRYMES-ZYHUDNBSSA-N 1 2 227.304 1.097 20 0 BDADLO CC(C)CCC[N@H+](CCO)CC(F)F ZINC000231345016 134541804 /nfs/dbraw/zinc/54/18/04/134541804.db2.gz JFZKVOJRRDHJTN-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CC(C)CCC[N@@H+](CCO)CC(F)F ZINC000231345016 134541805 /nfs/dbraw/zinc/54/18/05/134541805.db2.gz JFZKVOJRRDHJTN-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CC(C)c1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000232772900 134556204 /nfs/dbraw/zinc/55/62/04/134556204.db2.gz IROKVKMXEKKQOU-UHFFFAOYSA-N 1 2 245.330 1.623 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H]2CC[C@H](C)O2)CCCC1 ZINC000190972642 134565948 /nfs/dbraw/zinc/56/59/48/134565948.db2.gz AJDMTRASEHVDKM-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cc(N2CC[C@@H]([C@H](C)O)C2)nc(C2CC2)[nH+]1 ZINC000248523321 135002654 /nfs/dbraw/zinc/00/26/54/135002654.db2.gz CBQVREKGIXGDPR-CMPLNLGQSA-N 1 2 247.342 1.870 20 0 BDADLO CC[C@@](COC)([NH2+]CC(C)C)C(=O)OC ZINC000070657057 135008390 /nfs/dbraw/zinc/00/83/90/135008390.db2.gz LRVSRBFQWQMPQQ-NSHDSACASA-N 1 2 217.309 1.200 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@H](C)C1 ZINC000248602182 135016296 /nfs/dbraw/zinc/01/62/96/135016296.db2.gz DDYTVFXIJMVAKC-NXEZZACHSA-N 1 2 207.277 1.258 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@H](C)C1 ZINC000248602182 135016297 /nfs/dbraw/zinc/01/62/97/135016297.db2.gz DDYTVFXIJMVAKC-NXEZZACHSA-N 1 2 207.277 1.258 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)[C@@H](C)O ZINC000249073883 135032035 /nfs/dbraw/zinc/03/20/35/135032035.db2.gz LKMGFYFLGTZELK-WISYIIOYSA-N 1 2 243.347 1.325 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)[C@@H](C)O ZINC000249073880 135032233 /nfs/dbraw/zinc/03/22/33/135032233.db2.gz LKMGFYFLGTZELK-WHOHXGKFSA-N 1 2 243.347 1.325 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000249102485 135033866 /nfs/dbraw/zinc/03/38/66/135033866.db2.gz GBFVZSWIZADLAN-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@@H](C)C1 ZINC000249102485 135033868 /nfs/dbraw/zinc/03/38/68/135033868.db2.gz GBFVZSWIZADLAN-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO O[C@@H]1[C@H]2C[C@H]3CN(c4cccc[nH+]4)[C@H]1[C@H]3C2 ZINC000249555347 135041042 /nfs/dbraw/zinc/04/10/42/135041042.db2.gz LUZPPDIFTDOZDV-ZIIUWJBSSA-N 1 2 216.284 1.287 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000249969254 135047134 /nfs/dbraw/zinc/04/71/34/135047134.db2.gz HEHFXMMLNSEFJI-JZYVYDRUSA-N 1 2 219.288 1.414 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086935376 135102641 /nfs/dbraw/zinc/10/26/41/135102641.db2.gz YPVLTKIBZWWETE-OIBJUYFYSA-N 1 2 211.334 1.702 20 0 BDADLO Cc1ccc(NCc2cn(C)nn2)c(C)[nH+]1 ZINC000087151658 135107857 /nfs/dbraw/zinc/10/78/57/135107857.db2.gz WLPGUMDSAUHAPO-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1cccnc1 ZINC000258776979 135134058 /nfs/dbraw/zinc/13/40/58/135134058.db2.gz KXKKBEGBMXRCDI-UHFFFAOYSA-N 1 2 222.288 1.165 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000087710153 135166516 /nfs/dbraw/zinc/16/65/16/135166516.db2.gz YWAYWCXASQPUHE-GHMZBOCLSA-N 1 2 241.331 1.487 20 0 BDADLO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164000228 135210031 /nfs/dbraw/zinc/21/00/31/135210031.db2.gz TYKSDQIJMURTFC-MWLCHTKSSA-N 1 2 211.309 1.296 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1cccc(N)c1 ZINC000261641028 135242416 /nfs/dbraw/zinc/24/24/16/135242416.db2.gz GCKABRZFUHJFDH-UHFFFAOYSA-N 1 2 217.272 1.889 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1cccc(N)c1 ZINC000261641028 135242417 /nfs/dbraw/zinc/24/24/17/135242417.db2.gz GCKABRZFUHJFDH-UHFFFAOYSA-N 1 2 217.272 1.889 20 0 BDADLO c1cn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932041 135264195 /nfs/dbraw/zinc/26/41/95/135264195.db2.gz LREIKDXLGGILBN-KGLIPLIRSA-N 1 2 248.374 1.347 20 0 BDADLO c1cn(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932041 135264196 /nfs/dbraw/zinc/26/41/96/135264196.db2.gz LREIKDXLGGILBN-KGLIPLIRSA-N 1 2 248.374 1.347 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000342461154 135276711 /nfs/dbraw/zinc/27/67/11/135276711.db2.gz VFYCCGSRZOCTBC-JGVFFNPUSA-N 1 2 234.303 1.524 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nccn2C)n(C)n1 ZINC000342581784 135291782 /nfs/dbraw/zinc/29/17/82/135291782.db2.gz SBPMTECAPTXZLJ-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO CC(C)OC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000342633469 135298864 /nfs/dbraw/zinc/29/88/64/135298864.db2.gz NYXSKQJMECTGMS-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)OC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000342633469 135298865 /nfs/dbraw/zinc/29/88/65/135298865.db2.gz NYXSKQJMECTGMS-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO COCc1cnc(C[N@@H+](C)[C@@H](C)COC)s1 ZINC000342641730 135299548 /nfs/dbraw/zinc/29/95/48/135299548.db2.gz XUTGOOCBMILMEV-VIFPVBQESA-N 1 2 244.360 1.756 20 0 BDADLO COCc1cnc(C[N@H+](C)[C@@H](C)COC)s1 ZINC000342641730 135299549 /nfs/dbraw/zinc/29/95/49/135299549.db2.gz XUTGOOCBMILMEV-VIFPVBQESA-N 1 2 244.360 1.756 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000342653689 135307625 /nfs/dbraw/zinc/30/76/25/135307625.db2.gz CUHWNSBNTCAXDC-NSHDSACASA-N 1 2 236.319 1.323 20 0 BDADLO CC[N@H+](CC(=O)N(C)C(C)C)Cc1ccccn1 ZINC000342703901 135312372 /nfs/dbraw/zinc/31/23/72/135312372.db2.gz RBXXOVUZUAUVLH-UHFFFAOYSA-N 1 2 249.358 1.770 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C(C)C)Cc1ccccn1 ZINC000342703901 135312373 /nfs/dbraw/zinc/31/23/73/135312373.db2.gz RBXXOVUZUAUVLH-UHFFFAOYSA-N 1 2 249.358 1.770 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342782159 135317416 /nfs/dbraw/zinc/31/74/16/135317416.db2.gz OCWDQMLPSBHCIS-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)n1C ZINC000342795881 135319298 /nfs/dbraw/zinc/31/92/98/135319298.db2.gz DHSSXERNOBPPKO-SDDRHHMPSA-N 1 2 237.347 1.726 20 0 BDADLO COCC1=CC[N@H+](Cc2ncc(C)n2C)CC1 ZINC000342797212 135321385 /nfs/dbraw/zinc/32/13/85/135321385.db2.gz NNONUUKJSDTRHM-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO COCC1=CC[N@@H+](Cc2ncc(C)n2C)CC1 ZINC000342797212 135321386 /nfs/dbraw/zinc/32/13/86/135321386.db2.gz NNONUUKJSDTRHM-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO COCC1=CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342797212 135321387 /nfs/dbraw/zinc/32/13/87/135321387.db2.gz NNONUUKJSDTRHM-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO CC(C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000334166285 135323973 /nfs/dbraw/zinc/32/39/73/135323973.db2.gz AIBKVWJCTIEZPK-LBPRGKRZSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000334166285 135323975 /nfs/dbraw/zinc/32/39/75/135323975.db2.gz AIBKVWJCTIEZPK-LBPRGKRZSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]cc(C)n2C)C[C@@H](C)O1 ZINC000342774399 135326990 /nfs/dbraw/zinc/32/69/90/135326990.db2.gz DFDIFKDIUZNZAR-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1c[nH+]c(CN2CCC=C(F)C2)n1C ZINC000342772994 135327796 /nfs/dbraw/zinc/32/77/96/135327796.db2.gz GBGMPNDDPLZADX-UHFFFAOYSA-N 1 2 209.268 1.788 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2cc[nH+]c(N)c2)[C@@H]1C(=O)[O-] ZINC000263030361 135328599 /nfs/dbraw/zinc/32/85/99/135328599.db2.gz GWEKOTPHEOCZMR-CABZTGNLSA-N 1 2 249.314 1.349 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2cc[nH+]c(N)c2)[C@@H]1C(=O)[O-] ZINC000263030361 135328601 /nfs/dbraw/zinc/32/86/01/135328601.db2.gz GWEKOTPHEOCZMR-CABZTGNLSA-N 1 2 249.314 1.349 20 0 BDADLO CC1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000334227009 135330177 /nfs/dbraw/zinc/33/01/77/135330177.db2.gz APCUTFUPIOGTNF-RTBKNWGFSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263097227 135332337 /nfs/dbraw/zinc/33/23/37/135332337.db2.gz ZAALNROYSTYHQK-BBBLOLIVSA-N 1 2 246.301 1.488 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263103682 135332392 /nfs/dbraw/zinc/33/23/92/135332392.db2.gz ZQBMNZKSWWIACC-KXUCPTDWSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN1CCC(F)(F)C1 ZINC000334280676 135338284 /nfs/dbraw/zinc/33/82/84/135338284.db2.gz WKSFQZDPDOSCIQ-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN1CCC(F)(F)C1 ZINC000334280676 135338285 /nfs/dbraw/zinc/33/82/85/135338285.db2.gz WKSFQZDPDOSCIQ-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000334294336 135341716 /nfs/dbraw/zinc/34/17/16/135341716.db2.gz SRXRFBIADLVZKF-NXEZZACHSA-N 1 2 237.278 1.824 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@@H]1CCCOC1 ZINC000334296030 135342359 /nfs/dbraw/zinc/34/23/59/135342359.db2.gz XUURLZNNNLJCQX-SECBINFHSA-N 1 2 249.289 1.725 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)[C@H]2C)[nH]1 ZINC000334308678 135349708 /nfs/dbraw/zinc/34/97/08/135349708.db2.gz ICCGHBLUOPNFCE-DTWKUNHWSA-N 1 2 208.309 1.768 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@H]2C)[nH]1 ZINC000334308678 135349709 /nfs/dbraw/zinc/34/97/09/135349709.db2.gz ICCGHBLUOPNFCE-DTWKUNHWSA-N 1 2 208.309 1.768 20 0 BDADLO Cc1cccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000343143170 135360298 /nfs/dbraw/zinc/36/02/98/135360298.db2.gz PFZXKTLZKOCOGG-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000334334225 135362155 /nfs/dbraw/zinc/36/21/55/135362155.db2.gz WWRNTIHLXPGEQJ-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000334334225 135362156 /nfs/dbraw/zinc/36/21/56/135362156.db2.gz WWRNTIHLXPGEQJ-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCNC2=O)sc1C ZINC000334343432 135365017 /nfs/dbraw/zinc/36/50/17/135365017.db2.gz RATOSDZHRACNAF-VIFPVBQESA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCNC2=O)sc1C ZINC000334343432 135365018 /nfs/dbraw/zinc/36/50/18/135365018.db2.gz RATOSDZHRACNAF-VIFPVBQESA-N 1 2 239.344 1.080 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000334348339 135367724 /nfs/dbraw/zinc/36/77/24/135367724.db2.gz SKZYNJPUHAYZOU-GFCCVEGCSA-N 1 2 227.254 1.732 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000334348339 135367725 /nfs/dbraw/zinc/36/77/25/135367725.db2.gz SKZYNJPUHAYZOU-GFCCVEGCSA-N 1 2 227.254 1.732 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000334356276 135369769 /nfs/dbraw/zinc/36/97/69/135369769.db2.gz MWYXQTVYOZEKGA-JTQLQIEISA-N 1 2 209.293 1.420 20 0 BDADLO CC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000334356276 135369771 /nfs/dbraw/zinc/36/97/71/135369771.db2.gz MWYXQTVYOZEKGA-JTQLQIEISA-N 1 2 209.293 1.420 20 0 BDADLO CC[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1C ZINC000334369131 135373103 /nfs/dbraw/zinc/37/31/03/135373103.db2.gz MXCDBQTVLVISSE-SNVBAGLBSA-N 1 2 236.319 1.504 20 0 BDADLO Cc1nscc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000334371676 135375293 /nfs/dbraw/zinc/37/52/93/135375293.db2.gz QHATZKQSWHFRAF-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H](CO)O1 ZINC000299909018 135381640 /nfs/dbraw/zinc/38/16/40/135381640.db2.gz KFUGTJWNDMJVRZ-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000334386683 135382637 /nfs/dbraw/zinc/38/26/37/135382637.db2.gz OASALHRLZBKKFD-WDEREUQCSA-N 1 2 233.315 1.314 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334392874 135384484 /nfs/dbraw/zinc/38/44/84/135384484.db2.gz YQVVGECEJQTTQX-SNVBAGLBSA-N 1 2 235.331 1.608 20 0 BDADLO Cn1nccc1CNc1[nH+]c2ccccc2n1C ZINC000079047206 135396838 /nfs/dbraw/zinc/39/68/38/135396838.db2.gz SOBYTZCZJJCRQA-UHFFFAOYSA-N 1 2 241.298 1.919 20 0 BDADLO Cc1cccn2cc(CC(=O)N(C)C3CC3)[nH+]c12 ZINC000334438086 135404565 /nfs/dbraw/zinc/40/45/65/135404565.db2.gz JEEWAEHIVZQIFX-UHFFFAOYSA-N 1 2 243.310 1.806 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1Cc2ccccc21 ZINC000088452463 135521535 /nfs/dbraw/zinc/52/15/35/135521535.db2.gz VFANYQVUPSKOSY-NSHDSACASA-N 1 2 227.267 1.366 20 0 BDADLO c1cc(N2CCCC2)c[nH+]c1N[C@H]1CCOC1 ZINC000346418327 135926021 /nfs/dbraw/zinc/92/60/21/135926021.db2.gz MJCJPOYVBUDRCO-NSHDSACASA-N 1 2 233.315 1.883 20 0 BDADLO O=C([C@@H]1CCN(c2cccc[nH+]2)C1)N1CCCC1 ZINC000335165160 135926119 /nfs/dbraw/zinc/92/61/19/135926119.db2.gz MDFRJAJBBQDUGJ-GFCCVEGCSA-N 1 2 245.326 1.530 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)cn1 ZINC000347652337 136001629 /nfs/dbraw/zinc/00/16/29/136001629.db2.gz MDQAAMYVWJVVDA-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cnn(C)c2)cn1 ZINC000347652337 136001630 /nfs/dbraw/zinc/00/16/30/136001630.db2.gz MDQAAMYVWJVVDA-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347711405 136002386 /nfs/dbraw/zinc/00/23/86/136002386.db2.gz XRRIANKRNBLNOH-SECBINFHSA-N 1 2 231.246 1.235 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347711405 136002387 /nfs/dbraw/zinc/00/23/87/136002387.db2.gz XRRIANKRNBLNOH-SECBINFHSA-N 1 2 231.246 1.235 20 0 BDADLO C[C@@](CO)([NH2+]Cc1ccon1)c1cccc(O)c1 ZINC000347714483 136003167 /nfs/dbraw/zinc/00/31/67/136003167.db2.gz DEQUEUBMNFOJJV-ZDUSSCGKSA-N 1 2 248.282 1.378 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000347776752 136009120 /nfs/dbraw/zinc/00/91/20/136009120.db2.gz LXUWMUIRUAWZHS-WDEREUQCSA-N 1 2 248.330 1.591 20 0 BDADLO CC(C)n1cc(C[N@H+](C)[C@H]2CCOC2)nn1 ZINC000347785490 136009840 /nfs/dbraw/zinc/00/98/40/136009840.db2.gz QBYHBLWTBWEEHD-NSHDSACASA-N 1 2 224.308 1.080 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)[C@H]2CCOC2)nn1 ZINC000347785490 136009841 /nfs/dbraw/zinc/00/98/41/136009841.db2.gz QBYHBLWTBWEEHD-NSHDSACASA-N 1 2 224.308 1.080 20 0 BDADLO Cc1ccnc(NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000347742135 136010567 /nfs/dbraw/zinc/01/05/67/136010567.db2.gz RRHZSVMRYKFJLH-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1ccnc(NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000347742135 136010568 /nfs/dbraw/zinc/01/05/68/136010568.db2.gz RRHZSVMRYKFJLH-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)nn2C)CCO1 ZINC000335306617 136026709 /nfs/dbraw/zinc/02/67/09/136026709.db2.gz ZSLICSIEAWUYAG-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)CCO1 ZINC000335306617 136026710 /nfs/dbraw/zinc/02/67/10/136026710.db2.gz ZSLICSIEAWUYAG-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOCC2)oc1C ZINC000335307476 136027361 /nfs/dbraw/zinc/02/73/61/136027361.db2.gz UTBUEBMYFAIJKG-UHFFFAOYSA-N 1 2 210.277 1.514 20 0 BDADLO Cc1nc(C[N@H+]2CCCOCC2)oc1C ZINC000335307476 136027362 /nfs/dbraw/zinc/02/73/62/136027362.db2.gz UTBUEBMYFAIJKG-UHFFFAOYSA-N 1 2 210.277 1.514 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@@H](CO)c2ccccc21 ZINC000335311239 136029759 /nfs/dbraw/zinc/02/97/59/136029759.db2.gz ZTHCTGAFHBBIGT-NSHDSACASA-N 1 2 243.310 1.516 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@H+](CC3CC3)C2)O1 ZINC000335312728 136030783 /nfs/dbraw/zinc/03/07/83/136030783.db2.gz HMIKJDNKXPQFMY-VIFPVBQESA-N 1 2 223.276 1.365 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@@H+](CC3CC3)C2)O1 ZINC000335312728 136030784 /nfs/dbraw/zinc/03/07/84/136030784.db2.gz HMIKJDNKXPQFMY-VIFPVBQESA-N 1 2 223.276 1.365 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000335312728 136030785 /nfs/dbraw/zinc/03/07/85/136030785.db2.gz HMIKJDNKXPQFMY-VIFPVBQESA-N 1 2 223.276 1.365 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000335312728 136030786 /nfs/dbraw/zinc/03/07/86/136030786.db2.gz HMIKJDNKXPQFMY-VIFPVBQESA-N 1 2 223.276 1.365 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000335319839 136033843 /nfs/dbraw/zinc/03/38/43/136033843.db2.gz BXGCXLBVGYPPCB-VXNVDRBHSA-N 1 2 226.226 1.652 20 0 BDADLO COC(=O)[C@]1([NH2+]CCC2CCCC2)CCOC1 ZINC000348075404 136033978 /nfs/dbraw/zinc/03/39/78/136033978.db2.gz PULZBVULNBBOJA-ZDUSSCGKSA-N 1 2 241.331 1.488 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000348183165 136044110 /nfs/dbraw/zinc/04/41/10/136044110.db2.gz ASBDAVQNLJKVPH-JQWIXIFHSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000348183165 136044111 /nfs/dbraw/zinc/04/41/11/136044111.db2.gz ASBDAVQNLJKVPH-JQWIXIFHSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC000335337221 136044543 /nfs/dbraw/zinc/04/45/43/136044543.db2.gz OSMUUJCBQGGKIJ-LLVKDONJSA-N 1 2 244.338 1.978 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC000335337221 136044544 /nfs/dbraw/zinc/04/45/44/136044544.db2.gz OSMUUJCBQGGKIJ-LLVKDONJSA-N 1 2 244.338 1.978 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000335324493 136051184 /nfs/dbraw/zinc/05/11/84/136051184.db2.gz VGVZONUZVUAHQE-ZWNOBZJWSA-N 1 2 232.283 1.177 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000335324491 136051197 /nfs/dbraw/zinc/05/11/97/136051197.db2.gz VGVZONUZVUAHQE-GXFFZTMASA-N 1 2 232.283 1.177 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335334911 136055342 /nfs/dbraw/zinc/05/53/42/136055342.db2.gz WMVPODFCXJBCEV-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C[C@H]1C[C@@H]1C ZINC000348275097 136059244 /nfs/dbraw/zinc/05/92/44/136059244.db2.gz BWKPCLCCGNCMCK-VHSXEESVSA-N 1 2 234.299 1.753 20 0 BDADLO Cc1nc(C[NH+]2CC(C)(C(N)=O)C2)cs1 ZINC000335389911 136090687 /nfs/dbraw/zinc/09/06/87/136090687.db2.gz OTLOOMZWSOBKAZ-UHFFFAOYSA-N 1 2 225.317 1.809 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000335394755 136092251 /nfs/dbraw/zinc/09/22/51/136092251.db2.gz ITBQIFGHMQPKQO-KOLCDFICSA-N 1 2 235.287 1.111 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335599863 136114153 /nfs/dbraw/zinc/11/41/53/136114153.db2.gz SQUAJKWQCWRTEG-PSASIEDQSA-N 1 2 239.344 1.401 20 0 BDADLO CCc1nnc(C[N@@H+](CC)CC(C)(C)O)s1 ZINC000680052387 487528804 /nfs/dbraw/zinc/52/88/04/487528804.db2.gz CQRXKXJEBAGNID-UHFFFAOYSA-N 1 2 243.376 1.693 20 0 BDADLO CCc1nnc(C[N@H+](CC)CC(C)(C)O)s1 ZINC000680052387 487528807 /nfs/dbraw/zinc/52/88/07/487528807.db2.gz CQRXKXJEBAGNID-UHFFFAOYSA-N 1 2 243.376 1.693 20 0 BDADLO CC(C)(F)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000155177127 397750055 /nfs/dbraw/zinc/75/00/55/397750055.db2.gz MFGOIUPNSTUPRH-UHFFFAOYSA-N 1 2 239.294 1.795 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCOC2)cc[nH+]1 ZINC000301777127 397791919 /nfs/dbraw/zinc/79/19/19/397791919.db2.gz OYWRNMKRYIFXFJ-SECBINFHSA-N 1 2 207.277 1.801 20 0 BDADLO CN(Cc1cscn1)Cc1c[nH+]cn1C ZINC000177023355 397840318 /nfs/dbraw/zinc/84/03/18/397840318.db2.gz PWNRHVFWJCQZEA-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC(=O)NC(C)C ZINC000190765802 397886928 /nfs/dbraw/zinc/88/69/28/397886928.db2.gz CPDMZOUQNLIMCS-UHFFFAOYSA-N 1 2 236.315 1.856 20 0 BDADLO CC(C)(C)c1nc(NC[C@H](O)C2CCC2)cc[nH+]1 ZINC000649547417 397938453 /nfs/dbraw/zinc/93/84/53/397938453.db2.gz OXXICPXVIKRPFB-NSHDSACASA-N 1 2 249.358 1.769 20 0 BDADLO C=Cn1cc(C[NH2+]CC(C)(F)F)cn1 ZINC000382387217 397944876 /nfs/dbraw/zinc/94/48/76/397944876.db2.gz KYUUKNCHGOQDTI-UHFFFAOYSA-N 1 2 201.220 1.728 20 0 BDADLO CCC(F)(F)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000624665086 397947655 /nfs/dbraw/zinc/94/76/55/397947655.db2.gz ABCJGLPAQWBONY-UHFFFAOYSA-N 1 2 246.261 1.596 20 0 BDADLO CCC(F)(F)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000624665086 397947658 /nfs/dbraw/zinc/94/76/58/397947658.db2.gz ABCJGLPAQWBONY-UHFFFAOYSA-N 1 2 246.261 1.596 20 0 BDADLO CCc1noc(C[NH2+][C@@H]2COCC2(C)C)n1 ZINC000650165374 397952842 /nfs/dbraw/zinc/95/28/42/397952842.db2.gz UAGQTVMZBMAHAI-MRVPVSSYSA-N 1 2 225.292 1.147 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](Cc1cc3n(n1)CCC3)C2 ZINC000649566562 397954637 /nfs/dbraw/zinc/95/46/37/397954637.db2.gz OSYGTHHYMFKZLY-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO c1[nH]nc2c1CC[N@H+](Cc1cc3n(n1)CCC3)C2 ZINC000649566562 397954638 /nfs/dbraw/zinc/95/46/38/397954638.db2.gz OSYGTHHYMFKZLY-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO COCC1([N@H+](C)Cc2cc3n(n2)CCCC3)CC1 ZINC000649570759 397960741 /nfs/dbraw/zinc/96/07/41/397960741.db2.gz NHBCZGXFKKCRLL-UHFFFAOYSA-N 1 2 249.358 1.830 20 0 BDADLO COCC1([N@@H+](C)Cc2cc3n(n2)CCCC3)CC1 ZINC000649570759 397960744 /nfs/dbraw/zinc/96/07/44/397960744.db2.gz NHBCZGXFKKCRLL-UHFFFAOYSA-N 1 2 249.358 1.830 20 0 BDADLO CCNC(=O)[C@@H]([NH2+]CC(F)F)C(C)C ZINC000382194920 397918844 /nfs/dbraw/zinc/91/88/44/397918844.db2.gz CVWFHBGOZHWVKD-QMMMGPOBSA-N 1 2 208.252 1.002 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](OC)C1CC1 ZINC000382209520 397921449 /nfs/dbraw/zinc/92/14/49/397921449.db2.gz GSTLLKUCLORCDG-NSHDSACASA-N 1 2 222.288 1.927 20 0 BDADLO c1cn(CCCN2CCC[C@@H]2c2ncon2)c[nH+]1 ZINC000371476899 397991762 /nfs/dbraw/zinc/99/17/62/397991762.db2.gz GTHLUQLHCDETLE-LLVKDONJSA-N 1 2 247.302 1.493 20 0 BDADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCn2cncc2C1 ZINC000647938106 398047045 /nfs/dbraw/zinc/04/70/45/398047045.db2.gz LFXJMVBXMZKFGC-AWEZNQCLSA-N 1 2 249.358 1.640 20 0 BDADLO O[C@@H](CC1CCCC1)C[N@H+]1CCn2cncc2C1 ZINC000647938106 398047050 /nfs/dbraw/zinc/04/70/50/398047050.db2.gz LFXJMVBXMZKFGC-AWEZNQCLSA-N 1 2 249.358 1.640 20 0 BDADLO O[C@@H](CC1CCCC1)CN1CCn2c[nH+]cc2C1 ZINC000647938106 398047056 /nfs/dbraw/zinc/04/70/56/398047056.db2.gz LFXJMVBXMZKFGC-AWEZNQCLSA-N 1 2 249.358 1.640 20 0 BDADLO CCN(C)C(=O)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000276427434 398022851 /nfs/dbraw/zinc/02/28/51/398022851.db2.gz AWFMPYHWAZVHOW-SECBINFHSA-N 1 2 248.330 1.633 20 0 BDADLO CCN(C)C(=O)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000276427440 398022869 /nfs/dbraw/zinc/02/28/69/398022869.db2.gz AWFMPYHWAZVHOW-VIFPVBQESA-N 1 2 248.330 1.633 20 0 BDADLO COCCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649655158 398023407 /nfs/dbraw/zinc/02/34/07/398023407.db2.gz OXARMYRDWJRCBJ-LLVKDONJSA-N 1 2 239.319 1.329 20 0 BDADLO COCc1nc(C[N@@H+]2CCC23CCCC3)no1 ZINC000649657509 398024626 /nfs/dbraw/zinc/02/46/26/398024626.db2.gz BXVMJEMQOZCWPF-UHFFFAOYSA-N 1 2 237.303 1.735 20 0 BDADLO COCc1nc(C[N@H+]2CCC23CCCC3)no1 ZINC000649657509 398024628 /nfs/dbraw/zinc/02/46/28/398024628.db2.gz BXVMJEMQOZCWPF-UHFFFAOYSA-N 1 2 237.303 1.735 20 0 BDADLO C(c1nnc2n1CCOC2)[N@@H+]1CCC12CCCC2 ZINC000649658200 398025434 /nfs/dbraw/zinc/02/54/34/398025434.db2.gz CDMJQRSFVPULCN-UHFFFAOYSA-N 1 2 248.330 1.327 20 0 BDADLO C(c1nnc2n1CCOC2)[N@H+]1CCC12CCCC2 ZINC000649658200 398025439 /nfs/dbraw/zinc/02/54/39/398025439.db2.gz CDMJQRSFVPULCN-UHFFFAOYSA-N 1 2 248.330 1.327 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)co1 ZINC000277962844 398035652 /nfs/dbraw/zinc/03/56/52/398035652.db2.gz JEQZFGAMYBCYKK-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO c1nc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)co1 ZINC000277962844 398035656 /nfs/dbraw/zinc/03/56/56/398035656.db2.gz JEQZFGAMYBCYKK-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO Cc1nc(NC[C@H]2CCCC2(C)C)nc(N)[nH+]1 ZINC000389157942 398038786 /nfs/dbraw/zinc/03/87/86/398038786.db2.gz STXNCYWFLSHEDC-SECBINFHSA-N 1 2 235.335 1.253 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCCC2(C)C)[nH+]1 ZINC000389157942 398038789 /nfs/dbraw/zinc/03/87/89/398038789.db2.gz STXNCYWFLSHEDC-SECBINFHSA-N 1 2 235.335 1.253 20 0 BDADLO Cn1nc2c(c1C[NH2+]Cc1ncc[nH]1)CCCC2 ZINC000361060873 397973707 /nfs/dbraw/zinc/97/37/07/397973707.db2.gz ODSXKCZVAYAADA-UHFFFAOYSA-N 1 2 245.330 1.312 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000649591236 397977969 /nfs/dbraw/zinc/97/79/69/397977969.db2.gz RAEGJBWXNJVCMR-UJNFCWOMSA-N 1 2 241.360 1.844 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000649591236 397977972 /nfs/dbraw/zinc/97/79/72/397977972.db2.gz RAEGJBWXNJVCMR-UJNFCWOMSA-N 1 2 241.360 1.844 20 0 BDADLO CCc1cc(NC(COC)COC)nc[nH+]1 ZINC000388479261 397979505 /nfs/dbraw/zinc/97/95/05/397979505.db2.gz TUGNEUKFJGEIOH-UHFFFAOYSA-N 1 2 225.292 1.112 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)c2ccccc2F)C[C@H]1O ZINC000388653029 397987786 /nfs/dbraw/zinc/98/77/86/397987786.db2.gz SAVQPHIOOLJQNY-JOYOIKCWSA-N 1 2 237.274 1.321 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)c2ccccc2F)C[C@H]1O ZINC000388653029 397987792 /nfs/dbraw/zinc/98/77/92/397987792.db2.gz SAVQPHIOOLJQNY-JOYOIKCWSA-N 1 2 237.274 1.321 20 0 BDADLO CCN(CC(C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC000291319051 398092872 /nfs/dbraw/zinc/09/28/72/398092872.db2.gz YQORLRJCERFNHW-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO COc1nccnc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000648504901 398073157 /nfs/dbraw/zinc/07/31/57/398073157.db2.gz ROAJCHQIOFDGKW-UWVGGRQHSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccnc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000648504901 398073163 /nfs/dbraw/zinc/07/31/63/398073163.db2.gz ROAJCHQIOFDGKW-UWVGGRQHSA-N 1 2 239.294 1.665 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncccc2N(C)C)on1 ZINC000631140221 398074931 /nfs/dbraw/zinc/07/49/31/398074931.db2.gz XPVJAIIBJPUTAR-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CC[C@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000618872252 398075403 /nfs/dbraw/zinc/07/54/03/398075403.db2.gz UHJBBJUDLILBFF-LBPRGKRZSA-N 1 2 235.331 1.658 20 0 BDADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CC=C(C)C ZINC000116282825 398089865 /nfs/dbraw/zinc/08/98/65/398089865.db2.gz FXDFRPVDZKFIPL-GHMZBOCLSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CC=C(C)C ZINC000116282825 398089872 /nfs/dbraw/zinc/08/98/72/398089872.db2.gz FXDFRPVDZKFIPL-GHMZBOCLSA-N 1 2 227.304 1.215 20 0 BDADLO C[N@H+](CCO)Cc1csc(-c2ccccn2)n1 ZINC000050104597 398053396 /nfs/dbraw/zinc/05/33/96/398053396.db2.gz CAUFTEVBRYPSMS-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO C[N@@H+](CCO)Cc1csc(-c2ccccn2)n1 ZINC000050104597 398053399 /nfs/dbraw/zinc/05/33/99/398053399.db2.gz CAUFTEVBRYPSMS-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO OCCC[N@H+](Cc1nccn1C(F)F)C1CC1 ZINC000051828047 398106608 /nfs/dbraw/zinc/10/66/08/398106608.db2.gz AFEACECLPHAWDJ-UHFFFAOYSA-N 1 2 245.273 1.625 20 0 BDADLO OCCC[N@@H+](Cc1nccn1C(F)F)C1CC1 ZINC000051828047 398106610 /nfs/dbraw/zinc/10/66/10/398106610.db2.gz AFEACECLPHAWDJ-UHFFFAOYSA-N 1 2 245.273 1.625 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccon1)C(F)(F)F ZINC000389642793 398117353 /nfs/dbraw/zinc/11/73/53/398117353.db2.gz RGZHAUXOPLLZTI-ZETCQYMHSA-N 1 2 224.182 1.078 20 0 BDADLO Cc1nc(C(=O)N2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000293192695 398114394 /nfs/dbraw/zinc/11/43/94/398114394.db2.gz FGLWVBKUVDQVAC-UHFFFAOYSA-N 1 2 249.314 1.212 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547864566 398133464 /nfs/dbraw/zinc/13/34/64/398133464.db2.gz JTLGYFMXVXOVKC-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO Cc1sccc1C[N@H+](C)CCS(C)(=O)=O ZINC000295521254 398134697 /nfs/dbraw/zinc/13/46/97/398134697.db2.gz ZXYMIVSZWCOEPX-UHFFFAOYSA-N 1 2 247.385 1.533 20 0 BDADLO Cc1sccc1C[N@@H+](C)CCS(C)(=O)=O ZINC000295521254 398134699 /nfs/dbraw/zinc/13/46/99/398134699.db2.gz ZXYMIVSZWCOEPX-UHFFFAOYSA-N 1 2 247.385 1.533 20 0 BDADLO CC1(F)CN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000685652717 487570936 /nfs/dbraw/zinc/57/09/36/487570936.db2.gz QPMOYOLAKUZAFI-UHFFFAOYSA-N 1 2 248.261 1.910 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154984 487574639 /nfs/dbraw/zinc/57/46/39/487574639.db2.gz VEGQWWDJMDZDRG-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](CC(F)F)C[C@H]1O ZINC000680387560 487581374 /nfs/dbraw/zinc/58/13/74/487581374.db2.gz XEVHMZFLZJSIAQ-DTWKUNHWSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](CC(F)F)C[C@H]1O ZINC000680387560 487581378 /nfs/dbraw/zinc/58/13/78/487581378.db2.gz XEVHMZFLZJSIAQ-DTWKUNHWSA-N 1 2 221.291 1.980 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H]1Cn1ccnn1 ZINC000671478789 487589640 /nfs/dbraw/zinc/58/96/40/487589640.db2.gz NGWAFIVHDLWGJM-QMMMGPOBSA-N 1 2 216.235 1.008 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H]1Cn1ccnn1 ZINC000671478789 487589644 /nfs/dbraw/zinc/58/96/44/487589644.db2.gz NGWAFIVHDLWGJM-QMMMGPOBSA-N 1 2 216.235 1.008 20 0 BDADLO CC(C)OC[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000336735634 167267399 /nfs/dbraw/zinc/26/73/99/167267399.db2.gz IFSGKUMSZLKVCA-VHSXEESVSA-N 1 2 226.324 1.279 20 0 BDADLO C[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCC1=O ZINC000334182541 487593965 /nfs/dbraw/zinc/59/39/65/487593965.db2.gz BYWDSEDKRXTJGX-IONNQARKSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCC1=O ZINC000334182541 487593973 /nfs/dbraw/zinc/59/39/73/487593973.db2.gz BYWDSEDKRXTJGX-IONNQARKSA-N 1 2 239.237 1.211 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nccnc1C)CC2 ZINC000685913060 487594886 /nfs/dbraw/zinc/59/48/86/487594886.db2.gz KZPSZBWVUZFAJQ-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)c1nccs1 ZINC000530490437 487599546 /nfs/dbraw/zinc/59/95/46/487599546.db2.gz QZIJHYHBODFVTD-UHFFFAOYSA-N 1 2 236.300 1.462 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)c1nccs1 ZINC000530490437 487599549 /nfs/dbraw/zinc/59/95/49/487599549.db2.gz QZIJHYHBODFVTD-UHFFFAOYSA-N 1 2 236.300 1.462 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C)ncn1)c1ccn(C)n1 ZINC000680467617 487601236 /nfs/dbraw/zinc/60/12/36/487601236.db2.gz RCIMUSCOHXAMKL-LBPRGKRZSA-N 1 2 245.330 1.759 20 0 BDADLO Cc1cc(NC(=O)Cc2ccco2)c(C)c[nH+]1 ZINC000536575215 487605557 /nfs/dbraw/zinc/60/55/57/487605557.db2.gz JEISANNGXZZLKO-UHFFFAOYSA-N 1 2 230.267 1.895 20 0 BDADLO c1c[nH+]c(COCC[C@@H]2CCCCO2)[nH]1 ZINC000680500849 487607942 /nfs/dbraw/zinc/60/79/42/487607942.db2.gz DLAKGIHZJZKPMU-JTQLQIEISA-N 1 2 210.277 1.886 20 0 BDADLO CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1ccc(N)[nH+]c1 ZINC000662411512 409703227 /nfs/dbraw/zinc/70/32/27/409703227.db2.gz JLDPVTAYIQIARD-SDBXPKJASA-N 1 2 247.298 1.417 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1cnc[nH]1 ZINC000661089230 410158270 /nfs/dbraw/zinc/15/82/70/410158270.db2.gz YLYAPJMHGPLIJS-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1cnc[nH]1 ZINC000661089230 410158278 /nfs/dbraw/zinc/15/82/78/410158278.db2.gz YLYAPJMHGPLIJS-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1c[nH]cn1 ZINC000661089230 410158286 /nfs/dbraw/zinc/15/82/86/410158286.db2.gz YLYAPJMHGPLIJS-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1c[nH]cn1 ZINC000661089230 410158291 /nfs/dbraw/zinc/15/82/91/410158291.db2.gz YLYAPJMHGPLIJS-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO C[C@@H](NC(=O)CCn1cccc1)c1[nH]cc[nH+]1 ZINC000655401907 410206527 /nfs/dbraw/zinc/20/65/27/410206527.db2.gz XRLOUZTZHFKXSL-SNVBAGLBSA-N 1 2 232.287 1.479 20 0 BDADLO Cc1nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)co1 ZINC000655403447 410208273 /nfs/dbraw/zinc/20/82/73/410208273.db2.gz BCEMUYBETOJWQS-ZCFIWIBFSA-N 1 2 220.232 1.197 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)ncn1 ZINC000661170986 410318949 /nfs/dbraw/zinc/31/89/49/410318949.db2.gz JUCLAYNPFNMDCY-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)ncn1 ZINC000661170986 410318955 /nfs/dbraw/zinc/31/89/55/410318955.db2.gz JUCLAYNPFNMDCY-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CC12CC2)c1[nH+]ccn1C ZINC000661337598 410554708 /nfs/dbraw/zinc/55/47/08/410554708.db2.gz SQDLNIBWNDVQFE-RKDXNWHRSA-N 1 2 234.303 1.333 20 0 BDADLO CCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399033 410612621 /nfs/dbraw/zinc/61/26/21/410612621.db2.gz HYHORFRUTNCGQG-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399033 410612627 /nfs/dbraw/zinc/61/26/27/410612627.db2.gz HYHORFRUTNCGQG-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2nnc(C)o2)c1 ZINC000661532478 410732141 /nfs/dbraw/zinc/73/21/41/410732141.db2.gz XFWBYSBUIAPENG-UHFFFAOYSA-N 1 2 248.286 1.414 20 0 BDADLO C/C=C\CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000624656659 410677595 /nfs/dbraw/zinc/67/75/95/410677595.db2.gz XFWCJZZHEWVIGN-TYRPZCRBSA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C\CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000624656659 410677602 /nfs/dbraw/zinc/67/76/02/410677602.db2.gz XFWCJZZHEWVIGN-TYRPZCRBSA-N 1 2 222.292 1.257 20 0 BDADLO O=C1CC[C@@H](CSc2[nH+]cc3ccccn32)N1 ZINC000651181962 410849910 /nfs/dbraw/zinc/84/99/10/410849910.db2.gz GMFDWKXVCJUTCH-VIFPVBQESA-N 1 2 247.323 1.705 20 0 BDADLO C[C@@H](CC(=O)Nc1ccc[nH]c1=O)n1cc[nH+]c1 ZINC000651205271 410863074 /nfs/dbraw/zinc/86/30/74/410863074.db2.gz GJLOZDNFVUGQEL-VIFPVBQESA-N 1 2 246.270 1.574 20 0 BDADLO COC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000040877747 410895832 /nfs/dbraw/zinc/89/58/32/410895832.db2.gz XKPUURYJFSLXCJ-UHFFFAOYSA-N 1 2 222.288 1.189 20 0 BDADLO CC(C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000269633164 167018457 /nfs/dbraw/zinc/01/84/57/167018457.db2.gz PUYMPSQXRJLQJU-UHFFFAOYSA-N 1 2 232.291 1.312 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278761203 167051900 /nfs/dbraw/zinc/05/19/00/167051900.db2.gz XVHABRZDSCKURG-NSHDSACASA-N 1 2 236.319 1.071 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278761203 167051902 /nfs/dbraw/zinc/05/19/02/167051902.db2.gz XVHABRZDSCKURG-NSHDSACASA-N 1 2 236.319 1.071 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000294289433 167061250 /nfs/dbraw/zinc/06/12/50/167061250.db2.gz ZCIMVJSRJBMOBW-NXEZZACHSA-N 1 2 236.319 1.003 20 0 BDADLO CC(C)Oc1ccc(=NCc2c[nH+]cn2C)[nH]n1 ZINC000357713865 167291170 /nfs/dbraw/zinc/29/11/70/167291170.db2.gz UJTWQHHDMDORHV-UHFFFAOYSA-N 1 2 247.302 1.031 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1cn[nH]c1)n1cc[nH+]c1 ZINC000651343973 410926494 /nfs/dbraw/zinc/92/64/94/410926494.db2.gz MDZNFEYELVRXHP-JTQLQIEISA-N 1 2 247.302 1.216 20 0 BDADLO C[C@H](CCO)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000651471609 411051987 /nfs/dbraw/zinc/05/19/87/411051987.db2.gz ZZONQERMHDGTLU-SECBINFHSA-N 1 2 246.314 1.249 20 0 BDADLO c1c2cnccc2oc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000651815603 411145021 /nfs/dbraw/zinc/14/50/21/411145021.db2.gz BMRACSMCMDGVAG-WCQYABFASA-N 1 2 230.267 1.801 20 0 BDADLO c1c2cnccc2oc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000651815603 411145022 /nfs/dbraw/zinc/14/50/22/411145022.db2.gz BMRACSMCMDGVAG-WCQYABFASA-N 1 2 230.267 1.801 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000651878217 411148710 /nfs/dbraw/zinc/14/87/10/411148710.db2.gz BUYWZJQAHFUTSW-UHFFFAOYSA-N 1 2 235.331 1.455 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2n[nH]cc2C)[C@@H](C)CO1 ZINC000651931814 411150655 /nfs/dbraw/zinc/15/06/55/411150655.db2.gz DBHRCHDUXVSERL-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)[C@@H](C)CO1 ZINC000651931814 411150656 /nfs/dbraw/zinc/15/06/56/411150656.db2.gz DBHRCHDUXVSERL-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2[nH]ncc2C)[C@@H](C)CO1 ZINC000651931814 411150657 /nfs/dbraw/zinc/15/06/57/411150657.db2.gz DBHRCHDUXVSERL-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2[nH]ncc2C)[C@@H](C)CO1 ZINC000651931814 411150658 /nfs/dbraw/zinc/15/06/58/411150658.db2.gz DBHRCHDUXVSERL-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)cnn2C)[C@@H](C)CO1 ZINC000651932339 411150740 /nfs/dbraw/zinc/15/07/40/411150740.db2.gz RQSDPKNXFYRIDJ-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)cnn2C)[C@@H](C)CO1 ZINC000651932339 411150741 /nfs/dbraw/zinc/15/07/41/411150741.db2.gz RQSDPKNXFYRIDJ-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2CC)[C@H](C)CO1 ZINC000651931474 411150787 /nfs/dbraw/zinc/15/07/87/411150787.db2.gz UDQREEZNRGGSLP-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CC)[C@H](C)CO1 ZINC000651931474 411150788 /nfs/dbraw/zinc/15/07/88/411150788.db2.gz UDQREEZNRGGSLP-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](C)[C@@H](C)CO)no1 ZINC000309549838 167665423 /nfs/dbraw/zinc/66/54/23/167665423.db2.gz HVSDKMKWWHULCP-IUCAKERBSA-N 1 2 227.308 1.300 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000653636532 411153336 /nfs/dbraw/zinc/15/33/36/411153336.db2.gz CNOVIOVWYIGNOR-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000653636532 411153338 /nfs/dbraw/zinc/15/33/38/411153338.db2.gz CNOVIOVWYIGNOR-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)on1 ZINC000660005661 411168350 /nfs/dbraw/zinc/16/83/50/411168350.db2.gz DLCOBVUOOMFKNJ-SECBINFHSA-N 1 2 240.303 1.683 20 0 BDADLO COc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)on1 ZINC000660005661 411168351 /nfs/dbraw/zinc/16/83/51/411168351.db2.gz DLCOBVUOOMFKNJ-SECBINFHSA-N 1 2 240.303 1.683 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cccnc1 ZINC000656103865 411178895 /nfs/dbraw/zinc/17/88/95/411178895.db2.gz OOBJELFCHLSUCO-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCCSCC1 ZINC000656110012 411180272 /nfs/dbraw/zinc/18/02/72/411180272.db2.gz PLHRWJQLAYVAMA-UHFFFAOYSA-N 1 2 239.344 1.737 20 0 BDADLO Cc1cccc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000653794980 411181614 /nfs/dbraw/zinc/18/16/14/411181614.db2.gz PWNRKEOYQOLZTL-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cccc(C[N@H+]2CCn3nncc3C2)c1 ZINC000653794980 411181617 /nfs/dbraw/zinc/18/16/17/411181617.db2.gz PWNRKEOYQOLZTL-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO CC[C@](C)(O)CNc1nc[nH+]c(C)c1OC ZINC000656115982 411182142 /nfs/dbraw/zinc/18/21/42/411182142.db2.gz PGUCFLKWACLNSZ-NSHDSACASA-N 1 2 225.292 1.367 20 0 BDADLO Cc1nnc(C[NH2+][C@@H]2CCCn3nccc32)s1 ZINC000657971255 411182827 /nfs/dbraw/zinc/18/28/27/411182827.db2.gz IQQOSVDREPGKIG-SECBINFHSA-N 1 2 249.343 1.668 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)[C@H](C)CO ZINC000656128484 411183973 /nfs/dbraw/zinc/18/39/73/411183973.db2.gz ULRHGZXYKWFXAV-HTQZYQBOSA-N 1 2 225.292 1.222 20 0 BDADLO C(c1nnc2n1CCOC2)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656404466 411243819 /nfs/dbraw/zinc/24/38/19/411243819.db2.gz YVXIRNHIPNPSNA-QWRGUYRKSA-N 1 2 248.330 1.183 20 0 BDADLO C(c1nnc2n1CCOC2)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656404466 411243821 /nfs/dbraw/zinc/24/38/21/411243821.db2.gz YVXIRNHIPNPSNA-QWRGUYRKSA-N 1 2 248.330 1.183 20 0 BDADLO CC[C@H](O)CCNc1nc[nH+]c(C)c1OC ZINC000656147385 411185929 /nfs/dbraw/zinc/18/59/29/411185929.db2.gz PIUGRZVPGUDJIE-VIFPVBQESA-N 1 2 225.292 1.367 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CCOCC1CC1 ZINC000656144440 411186162 /nfs/dbraw/zinc/18/61/62/411186162.db2.gz BZJXQEZXGDYRLW-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ncn(C)n1 ZINC000657983436 411188997 /nfs/dbraw/zinc/18/89/97/411188997.db2.gz QESDPBPNHKRWIX-UWVGGRQHSA-N 1 2 236.319 1.177 20 0 BDADLO CCn1ncnc1CNc1nc[nH+]c(C)c1OC ZINC000656183925 411195451 /nfs/dbraw/zinc/19/54/51/411195451.db2.gz SVSIKCUBXHSCPO-UHFFFAOYSA-N 1 2 248.290 1.017 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)[C@H]1CCCOC1 ZINC000656187918 411196721 /nfs/dbraw/zinc/19/67/21/411196721.db2.gz NBQJXKIKTMSLSB-JTQLQIEISA-N 1 2 237.303 1.409 20 0 BDADLO CCn1ncc(CNc2cc[nH+]c(C)n2)n1 ZINC000528072282 411245013 /nfs/dbraw/zinc/24/50/13/411245013.db2.gz WMBGWQWEXNOTEL-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CC[C@@H](C)O1 ZINC000656199068 411201642 /nfs/dbraw/zinc/20/16/42/411201642.db2.gz ILOFHRWIDWAFDS-SCZZXKLOSA-N 1 2 237.303 1.773 20 0 BDADLO CC[C@H]([NH2+]Cc1noc(C)n1)[C@H]1CCCCO1 ZINC000653878637 411206886 /nfs/dbraw/zinc/20/68/86/411206886.db2.gz BVRUGPMVFFCEEL-WDEREUQCSA-N 1 2 239.319 1.815 20 0 BDADLO CO[C@@](C)(CO)CNc1[nH+]ccc(C)c1Cl ZINC000656205419 411207941 /nfs/dbraw/zinc/20/79/41/411207941.db2.gz GBLSZDLKYHUOQS-LLVKDONJSA-N 1 2 244.722 1.853 20 0 BDADLO CCn1ccc(CNc2nc[nH+]c(C)c2OC)n1 ZINC000656201720 411208072 /nfs/dbraw/zinc/20/80/72/411208072.db2.gz JENIPHKVVZTRHJ-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO CO[C@@](C)(CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000656206066 411208720 /nfs/dbraw/zinc/20/87/20/411208720.db2.gz NPLXZLWOKMDYFW-GFCCVEGCSA-N 1 2 237.303 1.163 20 0 BDADLO CCn1nccc1CC[N@H+](C)Cc1nc(C)no1 ZINC000653889326 411209743 /nfs/dbraw/zinc/20/97/43/411209743.db2.gz ZMERINMRAUSCCK-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1nccc1CC[N@@H+](C)Cc1nc(C)no1 ZINC000653889326 411209745 /nfs/dbraw/zinc/20/97/45/411209745.db2.gz ZMERINMRAUSCCK-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOCC(C)C)n1 ZINC000653888800 411209916 /nfs/dbraw/zinc/20/99/16/411209916.db2.gz HAOYYGUMHKVZIX-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO Cc1noc(C[N@H+](C)CCOCC(C)C)n1 ZINC000653888800 411209919 /nfs/dbraw/zinc/20/99/19/411209919.db2.gz HAOYYGUMHKVZIX-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2nc(C)no2)c1 ZINC000653889283 411209944 /nfs/dbraw/zinc/20/99/44/411209944.db2.gz YDVRQOMXFUNETJ-UHFFFAOYSA-N 1 2 235.291 1.015 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2nc(C)no2)c1 ZINC000653889283 411209946 /nfs/dbraw/zinc/20/99/46/411209946.db2.gz YDVRQOMXFUNETJ-UHFFFAOYSA-N 1 2 235.291 1.015 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1nc(C)no1 ZINC000653889975 411209958 /nfs/dbraw/zinc/20/99/58/411209958.db2.gz QADVMEDERJSPQK-UHFFFAOYSA-N 1 2 235.291 1.226 20 0 BDADLO CC(C)c1noc(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653896545 411212721 /nfs/dbraw/zinc/21/27/21/411212721.db2.gz BOGHQKZSQAAANX-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1noc(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653896545 411212722 /nfs/dbraw/zinc/21/27/22/411212722.db2.gz BOGHQKZSQAAANX-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO Cc1nnc(C[N@@H+](C[C@H](C)O)C2CC2)s1 ZINC000653901915 411216531 /nfs/dbraw/zinc/21/65/31/411216531.db2.gz GKLBASPPVUUVIP-ZETCQYMHSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@H+](C[C@H](C)O)C2CC2)s1 ZINC000653901915 411216535 /nfs/dbraw/zinc/21/65/35/411216535.db2.gz GKLBASPPVUUVIP-ZETCQYMHSA-N 1 2 227.333 1.192 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)NCCC2CC2)c2[nH+]ccn21 ZINC000652393302 411224656 /nfs/dbraw/zinc/22/46/56/411224656.db2.gz QIRBVLDQVCFRHJ-KOLCDFICSA-N 1 2 248.330 1.988 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000658061010 411228420 /nfs/dbraw/zinc/22/84/20/411228420.db2.gz ZKIQTCJLHDGKPG-WPRPVWTQSA-N 1 2 223.320 1.936 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000049237803 411229258 /nfs/dbraw/zinc/22/92/58/411229258.db2.gz YFESHEPZAZKHQL-VIFPVBQESA-N 1 2 246.270 1.477 20 0 BDADLO CC(C)(NC(=O)c1cocn1)c1[nH]cc[nH+]1 ZINC000652411104 411232118 /nfs/dbraw/zinc/23/21/18/411232118.db2.gz AMFSBIDXBNPITB-UHFFFAOYSA-N 1 2 220.232 1.063 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652409703 411233001 /nfs/dbraw/zinc/23/30/01/411233001.db2.gz LSLMMTCTUGQONE-YUMQZZPRSA-N 1 2 207.277 1.417 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652409700 411233029 /nfs/dbraw/zinc/23/30/29/411233029.db2.gz LSLMMTCTUGQONE-HTQZYQBOSA-N 1 2 207.277 1.417 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CC12CC2)c1[nH]cc[nH+]1 ZINC000652413454 411233406 /nfs/dbraw/zinc/23/34/06/411233406.db2.gz BFRWIGNPDLNVDW-QMMMGPOBSA-N 1 2 219.288 1.561 20 0 BDADLO Cn1cc[nH+]c1-c1cccc([C@H]2CCNC2=O)c1 ZINC000656371587 411236814 /nfs/dbraw/zinc/23/68/14/411236814.db2.gz JGQPWZXTIVFHLD-GFCCVEGCSA-N 1 2 241.294 1.691 20 0 BDADLO Cn1cc[nH+]c1-c1ccc(OCCCO)cc1 ZINC000656371771 411238428 /nfs/dbraw/zinc/23/84/28/411238428.db2.gz SVWVXHYXLMYOMH-UHFFFAOYSA-N 1 2 232.283 1.848 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cnccn1 ZINC000658089959 411240456 /nfs/dbraw/zinc/24/04/56/411240456.db2.gz CGDIPIGHGDGZDX-VXGBXAGGSA-N 1 2 248.374 2.000 20 0 BDADLO CC(C)(C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000656454809 411263503 /nfs/dbraw/zinc/26/35/03/411263503.db2.gz MQGYBBNPKUYLDL-UHFFFAOYSA-N 1 2 205.265 1.278 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C(C)C)C2CC2)[nH]1 ZINC000658158804 411272450 /nfs/dbraw/zinc/27/24/50/411272450.db2.gz JRKWZNCOTOAZHL-LBPRGKRZSA-N 1 2 238.335 1.475 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCc1ccoc1 ZINC000656474153 411276819 /nfs/dbraw/zinc/27/68/19/411276819.db2.gz XZJUXDPPDDYSMD-UHFFFAOYSA-N 1 2 243.270 1.611 20 0 BDADLO Cn1ccc(C[NH+]2CC3(C2)CCCOC3)n1 ZINC000656684862 411328290 /nfs/dbraw/zinc/32/82/90/411328290.db2.gz UIILOPSNLWNRGT-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO Cc1c[nH+]cc(N[C@@H](C)Cn2cncn2)c1 ZINC000653464255 411281537 /nfs/dbraw/zinc/28/15/37/411281537.db2.gz RJIIFDNKJPTQPM-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2c1OCC2 ZINC000653465011 411281694 /nfs/dbraw/zinc/28/16/94/411281694.db2.gz PSYUGLIZXUUYNV-UHFFFAOYSA-N 1 2 229.283 1.967 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn(CC)nn1)c1ccn(C)n1 ZINC000658176377 411282917 /nfs/dbraw/zinc/28/29/17/411282917.db2.gz LYJDGLCHVQCEEO-LLVKDONJSA-N 1 2 248.334 1.272 20 0 BDADLO CC[C@@H](O)C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000658189636 411285984 /nfs/dbraw/zinc/28/59/84/411285984.db2.gz MQAGCMZXCYQRKT-VXGBXAGGSA-N 1 2 246.314 1.255 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cnnn2CC)c1 ZINC000656502309 411289044 /nfs/dbraw/zinc/28/90/44/411289044.db2.gz JKZNISLYYYVYRH-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cnnn2CC)c1 ZINC000656502309 411289046 /nfs/dbraw/zinc/28/90/46/411289046.db2.gz JKZNISLYYYVYRH-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO CCCn1cc(C[NH+]2CC(C(F)F)C2)cn1 ZINC000656690336 411330099 /nfs/dbraw/zinc/33/00/99/411330099.db2.gz KJASYTFIICOONI-UHFFFAOYSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000659813961 411300702 /nfs/dbraw/zinc/30/07/02/411300702.db2.gz LTJLFSZJSWTWMT-DTORHVGOSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000659813961 411300703 /nfs/dbraw/zinc/30/07/03/411300703.db2.gz LTJLFSZJSWTWMT-DTORHVGOSA-N 1 2 224.304 1.901 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@H]1C ZINC000654007339 411310219 /nfs/dbraw/zinc/31/02/19/411310219.db2.gz XTYOBQHBLDLSLC-UTLUCORTSA-N 1 2 221.304 1.736 20 0 BDADLO Cc1cc([NH2+]CC[C@H](C)O)ccc1-n1cnnn1 ZINC000656640092 411314225 /nfs/dbraw/zinc/31/42/25/411314225.db2.gz BAGWKKIBYUFRGO-JTQLQIEISA-N 1 2 247.302 1.154 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC2CCC1CC2 ZINC000311172106 411332015 /nfs/dbraw/zinc/33/20/15/411332015.db2.gz RFYJEZGSSJBGLZ-HTAVTVPLSA-N 1 2 247.342 1.895 20 0 BDADLO CC1(C)CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000290992791 167938647 /nfs/dbraw/zinc/93/86/47/167938647.db2.gz XONLVWPWNPUFEY-LLVKDONJSA-N 1 2 249.314 1.183 20 0 BDADLO Cc1cncc(CC[N@@H+](C)Cc2ncc[nH]2)n1 ZINC000660140898 411255951 /nfs/dbraw/zinc/25/59/51/411255951.db2.gz BTNVXKZLFLRQEV-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1cncc(CC[N@H+](C)Cc2ncc[nH]2)n1 ZINC000660140898 411255955 /nfs/dbraw/zinc/25/59/55/411255955.db2.gz BTNVXKZLFLRQEV-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO CC(C)n1ccc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000660144151 411258571 /nfs/dbraw/zinc/25/85/71/411258571.db2.gz RDJQKRTYUHCHJC-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO CCc1n[nH]cc1C(=O)NCc1[nH+]ccn1CC ZINC000653771484 411350979 /nfs/dbraw/zinc/35/09/79/411350979.db2.gz VUAYZZAUPXQOER-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)no1 ZINC000662132725 411364856 /nfs/dbraw/zinc/36/48/56/411364856.db2.gz AGLRXHLVEPWNNK-SKDRFNHKSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)no1 ZINC000662132725 411364858 /nfs/dbraw/zinc/36/48/58/411364858.db2.gz AGLRXHLVEPWNNK-SKDRFNHKSA-N 1 2 239.319 1.082 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)no1 ZINC000662145605 411367869 /nfs/dbraw/zinc/36/78/69/411367869.db2.gz YICQQLCYYBDBDW-PTRXPTGYSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CO)C2)no1 ZINC000662145605 411367873 /nfs/dbraw/zinc/36/78/73/411367873.db2.gz YICQQLCYYBDBDW-PTRXPTGYSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3cncc3C2)c(C)n1 ZINC000660582213 411335647 /nfs/dbraw/zinc/33/56/47/411335647.db2.gz QHMLZPJIPXDUSR-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3cncc3C2)c(C)n1 ZINC000660582213 411335650 /nfs/dbraw/zinc/33/56/50/411335650.db2.gz QHMLZPJIPXDUSR-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661967646 411335980 /nfs/dbraw/zinc/33/59/80/411335980.db2.gz QYPNPSQXCLSRDT-HGNGGELXSA-N 1 2 206.293 1.516 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661967646 411335981 /nfs/dbraw/zinc/33/59/81/411335981.db2.gz QYPNPSQXCLSRDT-HGNGGELXSA-N 1 2 206.293 1.516 20 0 BDADLO Cc1nnsc1CN1CCn2c[nH+]cc2C1 ZINC000660584141 411337800 /nfs/dbraw/zinc/33/78/00/411337800.db2.gz PTYSJHNMBWKVRJ-UHFFFAOYSA-N 1 2 235.316 1.059 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000659844524 411338557 /nfs/dbraw/zinc/33/85/57/411338557.db2.gz JBUCVLLYAVSWHE-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000659844524 411338560 /nfs/dbraw/zinc/33/85/60/411338560.db2.gz JBUCVLLYAVSWHE-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC1(C)C[C@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000333793331 167992104 /nfs/dbraw/zinc/99/21/04/167992104.db2.gz MUFPACPRHSHWQZ-VIFPVBQESA-N 1 2 237.303 1.604 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000311201900 411341314 /nfs/dbraw/zinc/34/13/14/411341314.db2.gz HZOKDCKZTZMPID-AOOOYVTPSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000311201900 411341317 /nfs/dbraw/zinc/34/13/17/411341317.db2.gz HZOKDCKZTZMPID-AOOOYVTPSA-N 1 2 248.330 1.694 20 0 BDADLO CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000376868844 168018844 /nfs/dbraw/zinc/01/88/44/168018844.db2.gz HWDRWBCYMXHTIF-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000119319795 168035472 /nfs/dbraw/zinc/03/54/72/168035472.db2.gz VGXSGKCJVRARFK-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000364235299 168036975 /nfs/dbraw/zinc/03/69/75/168036975.db2.gz PSQOJFXBJVGOSA-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO CC1(CNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000336233955 168038025 /nfs/dbraw/zinc/03/80/25/168038025.db2.gz ODPWGMMPYMGPJA-UHFFFAOYSA-N 1 2 229.283 1.864 20 0 BDADLO CC1(CNc2cc(NCC3CC3)[nH+]cn2)COC1 ZINC000270234153 168046672 /nfs/dbraw/zinc/04/66/72/168046672.db2.gz PGLRQBQYDQWASQ-UHFFFAOYSA-N 1 2 248.330 1.747 20 0 BDADLO CC1(CNc2cc(NCC3CC3)nc[nH+]2)COC1 ZINC000270234153 168046675 /nfs/dbraw/zinc/04/66/75/168046675.db2.gz PGLRQBQYDQWASQ-UHFFFAOYSA-N 1 2 248.330 1.747 20 0 BDADLO CC1=C(C)CN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000279938857 168081322 /nfs/dbraw/zinc/08/13/22/168081322.db2.gz GXICBSJMJNLDIN-UHFFFAOYSA-N 1 2 248.330 1.635 20 0 BDADLO CC1=CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000280785264 168097368 /nfs/dbraw/zinc/09/73/68/168097368.db2.gz IUPDUMGHJLVOTG-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000280785264 168097371 /nfs/dbraw/zinc/09/73/71/168097371.db2.gz IUPDUMGHJLVOTG-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO Cc1nnc(C[N@H+]2CC=C(C)CC2)s1 ZINC000271589288 168115873 /nfs/dbraw/zinc/11/58/73/168115873.db2.gz REVRZBMXKCPOTN-UHFFFAOYSA-N 1 2 209.318 1.999 20 0 BDADLO Cc1nnc(C[N@@H+]2CC=C(C)CC2)s1 ZINC000271589288 168115876 /nfs/dbraw/zinc/11/58/76/168115876.db2.gz REVRZBMXKCPOTN-UHFFFAOYSA-N 1 2 209.318 1.999 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CC2(CCC2)C1 ZINC000652969471 411381096 /nfs/dbraw/zinc/38/10/96/411381096.db2.gz CMHOXRHZFXBABY-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO CC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276767555 168170675 /nfs/dbraw/zinc/17/06/75/168170675.db2.gz XTVVEWOZIQPYTF-NSCUHMNNSA-N 1 2 219.288 1.681 20 0 BDADLO CC1CCN(C(=O)COCc2[nH]cc[nH+]2)CC1 ZINC000123832331 168172402 /nfs/dbraw/zinc/17/24/02/168172402.db2.gz NMDIKIXQTYBPGG-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000190315609 168203219 /nfs/dbraw/zinc/20/32/19/168203219.db2.gz PKCNYYYGBIBORA-LLVKDONJSA-N 1 2 236.319 1.321 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000190315609 168203221 /nfs/dbraw/zinc/20/32/21/168203221.db2.gz PKCNYYYGBIBORA-LLVKDONJSA-N 1 2 236.319 1.321 20 0 BDADLO CCC(=O)N1CC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000333471169 168220939 /nfs/dbraw/zinc/22/09/39/168220939.db2.gz NQRKACRULIQPKE-UHFFFAOYSA-N 1 2 249.314 1.107 20 0 BDADLO CCC(=O)N1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000333471169 168220941 /nfs/dbraw/zinc/22/09/41/168220941.db2.gz NQRKACRULIQPKE-UHFFFAOYSA-N 1 2 249.314 1.107 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2C)c[nH+]1 ZINC000654380169 411383260 /nfs/dbraw/zinc/38/32/60/411383260.db2.gz BXHPNZMVZJURQK-CABZTGNLSA-N 1 2 218.300 1.971 20 0 BDADLO CCC(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000263789010 168261551 /nfs/dbraw/zinc/26/15/51/168261551.db2.gz POHPGDHNMXKBPP-UHFFFAOYSA-N 1 2 223.320 1.815 20 0 BDADLO CCC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000171152311 168265047 /nfs/dbraw/zinc/26/50/47/168265047.db2.gz NOUHQXXEJPCUBG-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO CCC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000267161386 168266175 /nfs/dbraw/zinc/26/61/75/168266175.db2.gz GPYZGTFWCLMWJW-UHFFFAOYSA-N 1 2 209.293 1.771 20 0 BDADLO CCC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276478339 168288208 /nfs/dbraw/zinc/28/82/08/168288208.db2.gz DQSMHQPMVULXTM-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CCC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276478339 168288209 /nfs/dbraw/zinc/28/82/09/168288209.db2.gz DQSMHQPMVULXTM-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CCC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279227602 168289538 /nfs/dbraw/zinc/28/95/38/168289538.db2.gz OLFWCTMJTVFFNO-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)O)ccn12 ZINC000654853625 411455002 /nfs/dbraw/zinc/45/50/02/411455002.db2.gz CZCUDTXTJHQHDK-JTQLQIEISA-N 1 2 247.298 1.096 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)CO1 ZINC000657309434 411459666 /nfs/dbraw/zinc/45/96/66/411459666.db2.gz NHSUZNZVHFVHHJ-QWRGUYRKSA-N 1 2 209.293 1.375 20 0 BDADLO CC[N@H+](CC(=O)NCc1ccccc1)C1COC1 ZINC000451283647 411404459 /nfs/dbraw/zinc/40/44/59/411404459.db2.gz IGLXMWLVJLDMLT-UHFFFAOYSA-N 1 2 248.326 1.024 20 0 BDADLO CC[N@@H+](CC(=O)NCc1ccccc1)C1COC1 ZINC000451283647 411404464 /nfs/dbraw/zinc/40/44/64/411404464.db2.gz IGLXMWLVJLDMLT-UHFFFAOYSA-N 1 2 248.326 1.024 20 0 BDADLO Cc1occc1C[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000265551352 411416575 /nfs/dbraw/zinc/41/65/75/411416575.db2.gz YXXLIQNDVGKQSA-UHFFFAOYSA-N 1 2 249.266 1.879 20 0 BDADLO Cc1occc1C[N@H+](C)Cc1cc(=O)c(O)co1 ZINC000265551352 411416577 /nfs/dbraw/zinc/41/65/77/411416577.db2.gz YXXLIQNDVGKQSA-UHFFFAOYSA-N 1 2 249.266 1.879 20 0 BDADLO C[C@@H](CC(C)(C)C)NC(=O)Cc1c[nH+]cn1C ZINC000654648708 411423260 /nfs/dbraw/zinc/42/32/60/411423260.db2.gz JKHSQPFVHFGHSP-JTQLQIEISA-N 1 2 237.347 1.904 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)sn1 ZINC000659821555 411462677 /nfs/dbraw/zinc/46/26/77/411462677.db2.gz OFKICZIWLMBEDY-RKDXNWHRSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)sn1 ZINC000659821555 411462678 /nfs/dbraw/zinc/46/26/78/411462678.db2.gz OFKICZIWLMBEDY-RKDXNWHRSA-N 1 2 242.344 1.761 20 0 BDADLO CC(=O)c1cc(C[NH+]2CCC(C)(O)CC2)on1 ZINC000653569239 411424643 /nfs/dbraw/zinc/42/46/43/411424643.db2.gz HZKAXGRZGDQFPA-UHFFFAOYSA-N 1 2 238.287 1.224 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cc(C2CC2)no1 ZINC000659820753 411462779 /nfs/dbraw/zinc/46/27/79/411462779.db2.gz BPBNMPWVGIFFLU-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cc(C2CC2)no1 ZINC000659820753 411462780 /nfs/dbraw/zinc/46/27/80/411462780.db2.gz BPBNMPWVGIFFLU-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000654702506 411432998 /nfs/dbraw/zinc/43/29/98/411432998.db2.gz RGUIOQQLEHJQCL-VXNVDRBHSA-N 1 2 239.344 1.799 20 0 BDADLO Cc1nn(Cc2ccc3[nH]c(C)[nH+]c3c2)c(=O)o1 ZINC000657278438 411439174 /nfs/dbraw/zinc/43/91/74/411439174.db2.gz DRGAWZKQUPUZAR-UHFFFAOYSA-N 1 2 244.254 1.378 20 0 BDADLO Cc1nn(Cc2ccc3[nH+]c(C)[nH]c3c2)c(=O)o1 ZINC000657278438 411439177 /nfs/dbraw/zinc/43/91/77/411439177.db2.gz DRGAWZKQUPUZAR-UHFFFAOYSA-N 1 2 244.254 1.378 20 0 BDADLO C[C@H](C(=O)N(C)c1nccs1)[NH+]1CC(C)C1 ZINC000654765161 411440794 /nfs/dbraw/zinc/44/07/94/411440794.db2.gz IPPXPLRVCNUSOR-SECBINFHSA-N 1 2 239.344 1.446 20 0 BDADLO CC(C)(CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000654775243 411443887 /nfs/dbraw/zinc/44/38/87/411443887.db2.gz CCKXXSUOHMXODO-UHFFFAOYSA-N 1 2 233.271 1.291 20 0 BDADLO CC(C)(C)n1ccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000654819606 411451012 /nfs/dbraw/zinc/45/10/12/411451012.db2.gz SSMMOCZAHPZPFD-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO CC(C)(C)n1ccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000654819606 411451015 /nfs/dbraw/zinc/45/10/15/411451015.db2.gz SSMMOCZAHPZPFD-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000127035836 411467593 /nfs/dbraw/zinc/46/75/93/411467593.db2.gz RSLBQRRXLNPHJA-AOOOYVTPSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000127035836 411467596 /nfs/dbraw/zinc/46/75/96/411467596.db2.gz RSLBQRRXLNPHJA-AOOOYVTPSA-N 1 2 249.314 1.309 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCCC[C@H]1O ZINC000292145387 411468314 /nfs/dbraw/zinc/46/83/14/411468314.db2.gz ZMIWRKDXRZENHX-BYAJROORSA-N 1 2 249.314 1.233 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2CCC(CO)CC2)[nH]1 ZINC000659837514 411470820 /nfs/dbraw/zinc/47/08/20/411470820.db2.gz AYZHKSXXTLODBK-VIFPVBQESA-N 1 2 238.335 1.132 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccc(O)c2)n1 ZINC000657340947 411473368 /nfs/dbraw/zinc/47/33/68/411473368.db2.gz DQIKFBZTVYQHIQ-UHFFFAOYSA-N 1 2 217.272 1.714 20 0 BDADLO c1cc(C[NH2+]Cc2cc[nH]n2)n(CC2CC2)n1 ZINC000657354919 411474122 /nfs/dbraw/zinc/47/41/22/411474122.db2.gz ZARYSYGTMUFQHD-UHFFFAOYSA-N 1 2 231.303 1.306 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)on1 ZINC000659855796 411478563 /nfs/dbraw/zinc/47/85/63/411478563.db2.gz LUTJVYKGXLIUFM-SECBINFHSA-N 1 2 240.303 1.683 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)on1 ZINC000659855796 411478565 /nfs/dbraw/zinc/47/85/65/411478565.db2.gz LUTJVYKGXLIUFM-SECBINFHSA-N 1 2 240.303 1.683 20 0 BDADLO C[N@@H+]1CCN(C(=O)c2nccs2)CC1(C)C ZINC000655052100 411485564 /nfs/dbraw/zinc/48/55/64/411485564.db2.gz FDWWPWHXWYOGOQ-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO C[N@H+]1CCN(C(=O)c2nccs2)CC1(C)C ZINC000655052100 411485566 /nfs/dbraw/zinc/48/55/66/411485566.db2.gz FDWWPWHXWYOGOQ-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC1CC1 ZINC000332142431 169944445 /nfs/dbraw/zinc/94/44/45/169944445.db2.gz MOFFQKXTNCDRBP-UHFFFAOYSA-N 1 2 240.328 1.648 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](CO)c2ccccc2C)n1 ZINC000657382697 411488309 /nfs/dbraw/zinc/48/83/09/411488309.db2.gz IUGGPXYVGIHEQZ-ZDUSSCGKSA-N 1 2 245.326 1.850 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CF ZINC000655079754 411491474 /nfs/dbraw/zinc/49/14/74/411491474.db2.gz NJZQZSDGJYFQLZ-SFYZADRCSA-N 1 2 213.256 1.063 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CF ZINC000655079754 411491480 /nfs/dbraw/zinc/49/14/80/411491480.db2.gz NJZQZSDGJYFQLZ-SFYZADRCSA-N 1 2 213.256 1.063 20 0 BDADLO Cc1[nH]c(CNCc2ccc(F)cn2)[nH+]c1C ZINC000657398983 411494647 /nfs/dbraw/zinc/49/46/47/411494647.db2.gz QLNJPMISERISAX-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccc(F)cn2)[nH]c1C ZINC000657398983 411494648 /nfs/dbraw/zinc/49/46/48/411494648.db2.gz QLNJPMISERISAX-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO Cc1c[nH]c(CNc2cc(C)n(C)n2)[nH+]1 ZINC000657412791 411499057 /nfs/dbraw/zinc/49/90/57/411499057.db2.gz OYSUCHWPSYNMSV-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)CC(F)F ZINC000655126424 411499713 /nfs/dbraw/zinc/49/97/13/411499713.db2.gz QACYLYUIGCWHTB-MRVPVSSYSA-N 1 2 245.273 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C ZINC000655126602 411499765 /nfs/dbraw/zinc/49/97/65/411499765.db2.gz ILVNVKVIWPTIMP-IUCAKERBSA-N 1 2 207.277 1.175 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(OC)CCC1 ZINC000655128070 411500829 /nfs/dbraw/zinc/50/08/29/411500829.db2.gz MQJOAMZYCMVOBE-UHFFFAOYSA-N 1 2 237.303 1.088 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](F)C1 ZINC000655127468 411501207 /nfs/dbraw/zinc/50/12/07/411501207.db2.gz WHIMMTYTNZUPDD-DTWKUNHWSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](F)C1 ZINC000655127468 411501209 /nfs/dbraw/zinc/50/12/09/411501209.db2.gz WHIMMTYTNZUPDD-DTWKUNHWSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1CC1 ZINC000655799467 411517471 /nfs/dbraw/zinc/51/74/71/411517471.db2.gz GKDTXIHIQGXTFG-PSASIEDQSA-N 1 2 236.319 1.544 20 0 BDADLO Cc1noc(C(C)(C)NCc2[nH]cc(C)[nH+]2)n1 ZINC000657460032 411517676 /nfs/dbraw/zinc/51/76/76/411517676.db2.gz OYVYRQTZAKGJTN-UHFFFAOYSA-N 1 2 235.291 1.434 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659994532 411522865 /nfs/dbraw/zinc/52/28/65/411522865.db2.gz NHVNFGXJRZQVLY-ILWJIGKKSA-N 1 2 206.293 1.283 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659994532 411522868 /nfs/dbraw/zinc/52/28/68/411522868.db2.gz NHVNFGXJRZQVLY-ILWJIGKKSA-N 1 2 206.293 1.283 20 0 BDADLO Cc1c[nH]c(CNc2cn(C)nc2C2CC2)[nH+]1 ZINC000657473033 411524129 /nfs/dbraw/zinc/52/41/29/411524129.db2.gz URLIQTRIXOYYTC-UHFFFAOYSA-N 1 2 231.303 1.941 20 0 BDADLO CC/C=C/C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657479938 411527584 /nfs/dbraw/zinc/52/75/84/411527584.db2.gz OUSCCIYBZRBFLN-VOTSOKGWSA-N 1 2 223.324 1.484 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]C2(C3(C)CC3)CC2)n1 ZINC000657485921 411530167 /nfs/dbraw/zinc/53/01/67/411530167.db2.gz VIUZEJQPQMKLSQ-UHFFFAOYSA-N 1 2 249.362 1.850 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000336233484 170000004 /nfs/dbraw/zinc/00/00/04/170000004.db2.gz QUQURTLUWSQJPQ-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000336233484 170000005 /nfs/dbraw/zinc/00/00/05/170000005.db2.gz QUQURTLUWSQJPQ-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2nccs2)[C@@H](C)C1 ZINC000336780066 170035028 /nfs/dbraw/zinc/03/50/28/170035028.db2.gz QGNPYVUJEUQKPJ-QWRGUYRKSA-N 1 2 239.388 1.615 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@@H](C)C1 ZINC000336773009 170035080 /nfs/dbraw/zinc/03/50/80/170035080.db2.gz YJFQGXSMRLXKBO-SRVKXCTJSA-N 1 2 210.365 1.962 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@H](O)C(C)C)[C@@H](C)C1 ZINC000336782175 170035945 /nfs/dbraw/zinc/03/59/45/170035945.db2.gz WWVALILMGHTBAP-AVGNSLFASA-N 1 2 228.380 1.323 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCCCO)[C@@H](C)C1 ZINC000336759273 170036199 /nfs/dbraw/zinc/03/61/99/170036199.db2.gz KOWVZGFBZFPWHQ-RYUDHWBXSA-N 1 2 214.353 1.079 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cncc(C)c1 ZINC000189762465 170057040 /nfs/dbraw/zinc/05/70/40/170057040.db2.gz PZJMKHPKILFSJA-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cncc(C)c1 ZINC000189762465 170057042 /nfs/dbraw/zinc/05/70/42/170057042.db2.gz PZJMKHPKILFSJA-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC000038091565 170095440 /nfs/dbraw/zinc/09/54/40/170095440.db2.gz SHOIUUXYOKNNOK-QMMMGPOBSA-N 1 2 227.333 1.066 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2csnn2)CO1 ZINC000657497348 411537231 /nfs/dbraw/zinc/53/72/31/411537231.db2.gz WABDXYHLRQHWPF-HRDYMLBCSA-N 1 2 227.333 1.756 20 0 BDADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)CC12CCC2 ZINC000660167935 411550644 /nfs/dbraw/zinc/55/06/44/411550644.db2.gz UTCZSRSRUCZIFZ-NSHDSACASA-N 1 2 234.347 1.859 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)CC12CCC2 ZINC000660167935 411550645 /nfs/dbraw/zinc/55/06/45/411550645.db2.gz UTCZSRSRUCZIFZ-NSHDSACASA-N 1 2 234.347 1.859 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2Cc3ccccc3O2)n1 ZINC000051860584 170131474 /nfs/dbraw/zinc/13/14/74/170131474.db2.gz MRBKMTCEVNPXNU-NSHDSACASA-N 1 2 245.282 1.855 20 0 BDADLO C[C@@H](NC(=O)NC1CCCC1)c1[nH+]ccn1C ZINC000660207889 411554175 /nfs/dbraw/zinc/55/41/75/411554175.db2.gz KNEWLTWUIYDYTG-SECBINFHSA-N 1 2 236.319 1.723 20 0 BDADLO COc1coc(CN(C)Cc2[nH]cc[nH+]2)cc1=O ZINC000660143630 411544911 /nfs/dbraw/zinc/54/49/11/411544911.db2.gz VTNIITQTHMDEMA-UHFFFAOYSA-N 1 2 249.270 1.004 20 0 BDADLO CN(Cc1cc2n(n1)CCC2)Cc1[nH]cc[nH+]1 ZINC000660141917 411545160 /nfs/dbraw/zinc/54/51/60/411545160.db2.gz KTWWHQOWHPPUPE-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCN1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C1=O ZINC000660147105 411545336 /nfs/dbraw/zinc/54/53/36/411545336.db2.gz MHGBNWDYZSDBBZ-VIFPVBQESA-N 1 2 244.285 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)nc(C)n1 ZINC000660149194 411546556 /nfs/dbraw/zinc/54/65/56/411546556.db2.gz BMFNCMUIVYKEQM-AWEZNQCLSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)nc(C)n1 ZINC000660149194 411546557 /nfs/dbraw/zinc/54/65/57/411546557.db2.gz BMFNCMUIVYKEQM-AWEZNQCLSA-N 1 2 247.342 1.704 20 0 BDADLO CCOC(=O)CCC1=CSC2=[NH+]CCN12 ZINC000190289292 170198492 /nfs/dbraw/zinc/19/84/92/170198492.db2.gz SBALEUUGMNSSPB-UHFFFAOYSA-N 1 2 226.301 1.590 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000128549135 170215062 /nfs/dbraw/zinc/21/50/62/170215062.db2.gz SGFZSGUHVVUMLU-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000128549135 170215063 /nfs/dbraw/zinc/21/50/63/170215063.db2.gz SGFZSGUHVVUMLU-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1nccs1 ZINC000157858487 170215073 /nfs/dbraw/zinc/21/50/73/170215073.db2.gz AYORXLZJMKSPDM-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1nccs1 ZINC000157858487 170215074 /nfs/dbraw/zinc/21/50/74/170215074.db2.gz AYORXLZJMKSPDM-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364796977 170218772 /nfs/dbraw/zinc/21/87/72/170218772.db2.gz IRJXHFVUFBFTQH-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000298408059 170219127 /nfs/dbraw/zinc/21/91/27/170219127.db2.gz PARDIHCWSBZJOD-UHFFFAOYSA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)N1CC[NH+](C/C=C\Cl)CC1 ZINC000212133409 170240117 /nfs/dbraw/zinc/24/01/17/170240117.db2.gz ANNKTYHDKLDHIF-ARJAWSKDSA-N 1 2 232.711 1.513 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000043638588 170246765 /nfs/dbraw/zinc/24/67/65/170246765.db2.gz DTFYFOWOTPWNJZ-SNVBAGLBSA-N 1 2 222.288 1.465 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000043638588 170246766 /nfs/dbraw/zinc/24/67/66/170246766.db2.gz DTFYFOWOTPWNJZ-SNVBAGLBSA-N 1 2 222.288 1.465 20 0 BDADLO COc1cc(C[N@@H+]2CCOCC3(CC3)C2)on1 ZINC000660244007 411558356 /nfs/dbraw/zinc/55/83/56/411558356.db2.gz NWDHEFRTOKFYND-UHFFFAOYSA-N 1 2 238.287 1.296 20 0 BDADLO COc1cc(C[N@H+]2CCOCC3(CC3)C2)on1 ZINC000660244007 411558357 /nfs/dbraw/zinc/55/83/57/411558357.db2.gz NWDHEFRTOKFYND-UHFFFAOYSA-N 1 2 238.287 1.296 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000660251645 411559950 /nfs/dbraw/zinc/55/99/50/411559950.db2.gz IEOLATBNPKHGOI-QMMMGPOBSA-N 1 2 222.292 1.350 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000660251645 411559952 /nfs/dbraw/zinc/55/99/52/411559952.db2.gz IEOLATBNPKHGOI-QMMMGPOBSA-N 1 2 222.292 1.350 20 0 BDADLO CCOC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000353640418 170259019 /nfs/dbraw/zinc/25/90/19/170259019.db2.gz CLKIAJUYFKWZBW-GHMZBOCLSA-N 1 2 234.299 1.717 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCSCC ZINC000340801029 170265851 /nfs/dbraw/zinc/26/58/51/170265851.db2.gz CQWSYGZGVMIIPT-VIFPVBQESA-N 1 2 219.350 1.623 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCSCC ZINC000340801029 170265852 /nfs/dbraw/zinc/26/58/52/170265852.db2.gz CQWSYGZGVMIIPT-VIFPVBQESA-N 1 2 219.350 1.623 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](CC)Cc1ccncc1 ZINC000043638771 170266088 /nfs/dbraw/zinc/26/60/88/170266088.db2.gz YTGLERCRUBHUNQ-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](CC)Cc1ccncc1 ZINC000043638771 170266089 /nfs/dbraw/zinc/26/60/89/170266089.db2.gz YTGLERCRUBHUNQ-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CCC[C@H](C)C[NH2+]Cc1nnc(COC)[nH]1 ZINC000657607541 411561344 /nfs/dbraw/zinc/56/13/44/411561344.db2.gz IGZOMSFJTVATKN-VIFPVBQESA-N 1 2 226.324 1.477 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C)c2)c(C)o1 ZINC000660266522 411562132 /nfs/dbraw/zinc/56/21/32/411562132.db2.gz COYYIPVLXPZYTF-MRVPVSSYSA-N 1 2 234.303 1.876 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)[C@@H]2CC2(C)C)[nH]1 ZINC000657609253 411562672 /nfs/dbraw/zinc/56/26/72/411562672.db2.gz MJFPNRHUYVCFEC-BDAKNGLRSA-N 1 2 238.335 1.475 20 0 BDADLO CC[N@H+](CC(F)F)C[C@@H](OC)[C@@H]1CCOC1 ZINC000660274382 411563036 /nfs/dbraw/zinc/56/30/36/411563036.db2.gz QKHXAWSEEZQFOG-NXEZZACHSA-N 1 2 237.290 1.625 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@@H](OC)[C@@H]1CCOC1 ZINC000660274382 411563037 /nfs/dbraw/zinc/56/30/37/411563037.db2.gz QKHXAWSEEZQFOG-NXEZZACHSA-N 1 2 237.290 1.625 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)no1 ZINC000050064433 170281746 /nfs/dbraw/zinc/28/17/46/170281746.db2.gz VMKUKSAQUPVLJY-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)no1 ZINC000050064433 170281748 /nfs/dbraw/zinc/28/17/48/170281748.db2.gz VMKUKSAQUPVLJY-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO C[C@H](NC(=O)NC[C@@H]1C[C@@H]1C)c1[nH+]ccn1C ZINC000660344841 411572132 /nfs/dbraw/zinc/57/21/32/411572132.db2.gz ZZERHNITHQDTDI-GUBZILKMSA-N 1 2 236.319 1.436 20 0 BDADLO CCOC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000275519637 170312952 /nfs/dbraw/zinc/31/29/52/170312952.db2.gz ZLRAAQDWAWHKEU-UHFFFAOYSA-N 1 2 225.292 1.263 20 0 BDADLO CCOC1CC(C[N@@H+]2CCOCC(F)(F)C2)C1 ZINC000367392211 170324994 /nfs/dbraw/zinc/32/49/94/170324994.db2.gz NEBUNWMTJZHNFP-UHFFFAOYSA-N 1 2 249.301 1.769 20 0 BDADLO CCOC1CC(C[N@H+]2CCOCC(F)(F)C2)C1 ZINC000367392211 170324995 /nfs/dbraw/zinc/32/49/95/170324995.db2.gz NEBUNWMTJZHNFP-UHFFFAOYSA-N 1 2 249.301 1.769 20 0 BDADLO CCOC1C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000297471655 170337077 /nfs/dbraw/zinc/33/70/77/170337077.db2.gz RFXHUBZIVSKTRE-UHFFFAOYSA-N 1 2 234.299 1.006 20 0 BDADLO CCOC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000294194733 170337350 /nfs/dbraw/zinc/33/73/50/170337350.db2.gz TVACPKWHLXBSOC-UHFFFAOYSA-N 1 2 219.288 1.579 20 0 BDADLO CCOCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000266946686 170365482 /nfs/dbraw/zinc/36/54/82/170365482.db2.gz CTDACUXDIAORLA-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCC1=O ZINC000660322120 411568624 /nfs/dbraw/zinc/56/86/24/411568624.db2.gz JHPYRXPFUWLPCT-PSASIEDQSA-N 1 2 233.258 1.322 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCC1=O ZINC000660322120 411568625 /nfs/dbraw/zinc/56/86/25/411568625.db2.gz JHPYRXPFUWLPCT-PSASIEDQSA-N 1 2 233.258 1.322 20 0 BDADLO CCOCC[N@H+](C)Cc1cscn1 ZINC000064516980 170392034 /nfs/dbraw/zinc/39/20/34/170392034.db2.gz YCUDZHBFHPBEQZ-UHFFFAOYSA-N 1 2 200.307 1.611 20 0 BDADLO CCOCC[N@@H+](C)Cc1cscn1 ZINC000064516980 170392036 /nfs/dbraw/zinc/39/20/36/170392036.db2.gz 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217.276 1.155 20 0 BDADLO CCn1nccc1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000663349746 411636381 /nfs/dbraw/zinc/63/63/81/411636381.db2.gz QZYWTEDIJLVULV-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO CCn1nccc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000663349746 411636386 /nfs/dbraw/zinc/63/63/86/411636386.db2.gz QZYWTEDIJLVULV-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO NC(=O)CC[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000663367952 411639274 /nfs/dbraw/zinc/63/92/74/411639274.db2.gz VPKDHNIFAIBWEI-UHFFFAOYSA-N 1 2 246.232 1.383 20 0 BDADLO CCNC(=O)C1(CNc2cc(C)[nH+]cn2)CCC1 ZINC000487044096 411639943 /nfs/dbraw/zinc/63/99/43/411639943.db2.gz KLURICOIADWIAH-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NCC1=CCCC1 ZINC000660818245 411645230 /nfs/dbraw/zinc/64/52/30/411645230.db2.gz ACMHXTFOJPKDLB-UHFFFAOYSA-N 1 2 234.303 1.293 20 0 BDADLO c1cc(C[N@@H+]2CCc3nn[nH]c3C2)cs1 ZINC000660387054 411577234 /nfs/dbraw/zinc/57/72/34/411577234.db2.gz GKHLIGUVJIDXIM-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO c1cc(C[N@H+]2CCc3nn[nH]c3C2)cs1 ZINC000660387054 411577236 /nfs/dbraw/zinc/57/72/36/411577236.db2.gz GKHLIGUVJIDXIM-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)CC(F)(F)C2)CCO1 ZINC000660391341 411578284 /nfs/dbraw/zinc/57/82/84/411578284.db2.gz HCDXZIGNKMHSAY-BBBLOLIVSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2C[C@@H](O)CC(F)(F)C2)CCO1 ZINC000660391341 411578285 /nfs/dbraw/zinc/57/82/85/411578285.db2.gz HCDXZIGNKMHSAY-BBBLOLIVSA-N 1 2 235.274 1.256 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)(C)OC[C@@H]2C)co1 ZINC000660407273 411580422 /nfs/dbraw/zinc/58/04/22/411580422.db2.gz MSWTVMZXPSRYSV-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)co1 ZINC000660407273 411580424 /nfs/dbraw/zinc/58/04/24/411580424.db2.gz MSWTVMZXPSRYSV-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1occc1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660445044 411585484 /nfs/dbraw/zinc/58/54/84/411585484.db2.gz XNNGHTIKZUXSAF-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO Cc1occc1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660445044 411585485 /nfs/dbraw/zinc/58/54/85/411585485.db2.gz XNNGHTIKZUXSAF-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO Cn1c[nH+]c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000660532010 411596309 /nfs/dbraw/zinc/59/63/09/411596309.db2.gz ADHUVVMOSUBPNT-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCOC2)c(C)o1 ZINC000660532167 411596579 /nfs/dbraw/zinc/59/65/79/411596579.db2.gz CRVJNSFQXLNWLL-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCCOC2)c(C)o1 ZINC000660532167 411596581 /nfs/dbraw/zinc/59/65/81/411596581.db2.gz CRVJNSFQXLNWLL-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Nc1cc(CN2CC[C@@H]2C(F)(F)F)cc[nH+]1 ZINC000660570682 411601775 /nfs/dbraw/zinc/60/17/75/411601775.db2.gz OPJCQTQHFMMRBE-MRVPVSSYSA-N 1 2 231.221 1.800 20 0 BDADLO CCc1nnc([C@H](C)N2CCn3c[nH+]cc3C2)o1 ZINC000660578404 411603128 /nfs/dbraw/zinc/60/31/28/411603128.db2.gz PACNMSZUHDDXHW-VIFPVBQESA-N 1 2 247.302 1.405 20 0 BDADLO Cc1nsc(C)c1CN1CCn2c[nH+]cc2C1 ZINC000660582996 411603861 /nfs/dbraw/zinc/60/38/61/411603861.db2.gz DCDMRAGDPZEVNP-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO c1ncc(CC[N@@H+]2CCn3cncc3C2)s1 ZINC000660585467 411604034 /nfs/dbraw/zinc/60/40/34/411604034.db2.gz ZNSRFKSLMVLQNC-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO c1ncc(CC[N@H+]2CCn3cncc3C2)s1 ZINC000660585467 411604036 /nfs/dbraw/zinc/60/40/36/411604036.db2.gz ZNSRFKSLMVLQNC-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO c1ncc(CCN2CCn3c[nH+]cc3C2)s1 ZINC000660585467 411604038 /nfs/dbraw/zinc/60/40/38/411604038.db2.gz ZNSRFKSLMVLQNC-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO CCc1nocc1CN(C)Cc1cn(C)c[nH+]1 ZINC000660653427 411613233 /nfs/dbraw/zinc/61/32/33/411613233.db2.gz DVOHXCXQJHPJJJ-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1=CCCC1 ZINC000660706546 411618406 /nfs/dbraw/zinc/61/84/06/411618406.db2.gz YNJUFALUGSZPND-UHFFFAOYSA-N 1 2 234.303 1.330 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000660724800 411619377 /nfs/dbraw/zinc/61/93/77/411619377.db2.gz HHPMYVWAVPGQKH-NSHDSACASA-N 1 2 238.360 1.175 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCSC[C@H]1C1CC1 ZINC000660724800 411619378 /nfs/dbraw/zinc/61/93/78/411619378.db2.gz HHPMYVWAVPGQKH-NSHDSACASA-N 1 2 238.360 1.175 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C2CCCC2)C1 ZINC000660729784 411619466 /nfs/dbraw/zinc/61/94/66/411619466.db2.gz FQNWQCSUOKSWMV-UHFFFAOYSA-N 1 2 217.334 1.048 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@H](O)C1 ZINC000663314330 411622058 /nfs/dbraw/zinc/62/20/58/411622058.db2.gz KQCJOAZDRSFOMV-JTQLQIEISA-N 1 2 243.310 1.778 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cccc[nH+]2)[C@@H]1OC ZINC000272752305 170484477 /nfs/dbraw/zinc/48/44/77/170484477.db2.gz JZOFGXLEYAADAC-FOGDFJRCSA-N 1 2 222.288 1.686 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1(C)CCC1 ZINC000660841292 411653015 /nfs/dbraw/zinc/65/30/15/411653015.db2.gz DGDIDMXXOPANAT-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1(C)CCC1 ZINC000660841292 411653020 /nfs/dbraw/zinc/65/30/20/411653020.db2.gz DGDIDMXXOPANAT-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2n[nH]c(=O)o2)n1 ZINC000660843425 411653584 /nfs/dbraw/zinc/65/35/84/411653584.db2.gz XOAGTGJSYKBGMW-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)n1 ZINC000660843425 411653588 /nfs/dbraw/zinc/65/35/88/411653588.db2.gz XOAGTGJSYKBGMW-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO CC(C)=CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660839689 411654799 /nfs/dbraw/zinc/65/47/99/411654799.db2.gz BFDANTRYGQDULP-UHFFFAOYSA-N 1 2 211.265 1.563 20 0 BDADLO C[C@H](NC(=O)NCCCF)c1[nH+]ccn1C ZINC000660927587 411676603 /nfs/dbraw/zinc/67/66/03/411676603.db2.gz BHWPLCBQOOFSLU-QMMMGPOBSA-N 1 2 228.271 1.140 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2cnc[nH]2)cs1 ZINC000661088501 411698438 /nfs/dbraw/zinc/69/84/38/411698438.db2.gz KASVBQUGLUAZNT-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2cnc[nH]2)cs1 ZINC000661088501 411698440 /nfs/dbraw/zinc/69/84/40/411698440.db2.gz KASVBQUGLUAZNT-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1cnc([C@@H](C)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000661087915 411699497 /nfs/dbraw/zinc/69/94/97/411699497.db2.gz CZNBWRHXSYVLAR-SECBINFHSA-N 1 2 220.276 1.899 20 0 BDADLO Cc1cnc([C@@H](C)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000661087915 411699500 /nfs/dbraw/zinc/69/95/00/411699500.db2.gz CZNBWRHXSYVLAR-SECBINFHSA-N 1 2 220.276 1.899 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000661261303 411744878 /nfs/dbraw/zinc/74/48/78/411744878.db2.gz FQELMOUSNLQQJB-GHMZBOCLSA-N 1 2 248.330 1.454 20 0 BDADLO CC/C=C\CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661263252 411746320 /nfs/dbraw/zinc/74/63/20/411746320.db2.gz ZVSUSIDKQPNIJH-WWQCOOJYSA-N 1 2 236.319 1.747 20 0 BDADLO CC/C=C/CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661263249 411746648 /nfs/dbraw/zinc/74/66/48/411746648.db2.gz ZVSUSIDKQPNIJH-BRAIEQGRSA-N 1 2 236.319 1.747 20 0 BDADLO Cc1nc(NC[C@@H]2COCC[N@H+]2C)sc1C ZINC000624619560 411748941 /nfs/dbraw/zinc/74/89/41/411748941.db2.gz FTIPOSGIPPEECE-SNVBAGLBSA-N 1 2 241.360 1.502 20 0 BDADLO Cc1nc(NC[C@@H]2COCC[N@@H+]2C)sc1C ZINC000624619560 411748945 /nfs/dbraw/zinc/74/89/45/411748945.db2.gz FTIPOSGIPPEECE-SNVBAGLBSA-N 1 2 241.360 1.502 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CCc1cnn[nH]1)CC2 ZINC000661373079 411758714 /nfs/dbraw/zinc/75/87/14/411758714.db2.gz RCXMCMPSPXKPDO-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CCc1cnn[nH]1)CC2 ZINC000661373079 411758717 /nfs/dbraw/zinc/75/87/17/411758717.db2.gz RCXMCMPSPXKPDO-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO CC[C@H](C)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397556 411767374 /nfs/dbraw/zinc/76/73/74/411767374.db2.gz DGTOWJIJGLOZQD-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397556 411767376 /nfs/dbraw/zinc/76/73/76/411767376.db2.gz DGTOWJIJGLOZQD-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO O[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(F)F ZINC000661401189 411768908 /nfs/dbraw/zinc/76/89/08/411768908.db2.gz ANIDXMXJZIPJSV-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(F)F ZINC000661401189 411768911 /nfs/dbraw/zinc/76/89/11/411768911.db2.gz ANIDXMXJZIPJSV-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO CCc1cc(NCCn2ccccc2=O)nc[nH+]1 ZINC000603397433 411769931 /nfs/dbraw/zinc/76/99/31/411769931.db2.gz BCPSVPQGGPAMGE-UHFFFAOYSA-N 1 2 244.298 1.313 20 0 BDADLO Clc1cnc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000663919572 411775778 /nfs/dbraw/zinc/77/57/78/411775778.db2.gz PLOUNKWADATBEG-UHFFFAOYSA-N 1 2 235.678 1.416 20 0 BDADLO Cc1nc(N2CCc3nc[nH]c3C2)c(C)c(C)[nH+]1 ZINC000663919736 411776122 /nfs/dbraw/zinc/77/61/22/411776122.db2.gz QUCIELVIYJDQFZ-UHFFFAOYSA-N 1 2 243.314 1.688 20 0 BDADLO Cc1ccc(N2CCn3c[nH+]cc3C2)nn1 ZINC000663920684 411777220 /nfs/dbraw/zinc/77/72/20/411777220.db2.gz HQTZAKRONBVJFF-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO Cc1nc(N2Cc3c[nH]nc3C2)c(C)c(C)[nH+]1 ZINC000663929108 411778762 /nfs/dbraw/zinc/77/87/62/411778762.db2.gz SAGXIWKTFDMMDI-UHFFFAOYSA-N 1 2 229.287 1.645 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccon1 ZINC000661463998 411780416 /nfs/dbraw/zinc/78/04/16/411780416.db2.gz WAVCZJCIPWYLDY-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccon1 ZINC000661463998 411780419 /nfs/dbraw/zinc/78/04/19/411780419.db2.gz WAVCZJCIPWYLDY-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1CCC[N@H+](CC(F)F)[C@@H]1CCO ZINC000661493535 411784019 /nfs/dbraw/zinc/78/40/19/411784019.db2.gz OKMOZCXHBNCMJJ-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CCC[N@@H+](CC(F)F)[C@@H]1CCO ZINC000661493535 411784021 /nfs/dbraw/zinc/78/40/21/411784021.db2.gz OKMOZCXHBNCMJJ-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1nc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)no1 ZINC000661498259 411790583 /nfs/dbraw/zinc/79/05/83/411790583.db2.gz XSTSAHYVNCTYKD-TXEJJXNPSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)no1 ZINC000661498259 411790586 /nfs/dbraw/zinc/79/05/86/411790586.db2.gz XSTSAHYVNCTYKD-TXEJJXNPSA-N 1 2 237.303 1.236 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(C2CC2)cn1 ZINC000674802687 487620629 /nfs/dbraw/zinc/62/06/29/487620629.db2.gz ILUZCGZKQFVRAW-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(C2CC2)cn1 ZINC000674802687 487620633 /nfs/dbraw/zinc/62/06/33/487620633.db2.gz ILUZCGZKQFVRAW-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661163208 411724390 /nfs/dbraw/zinc/72/43/90/411724390.db2.gz BDGQPRXNYLRIAN-ZDUSSCGKSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661163208 411724394 /nfs/dbraw/zinc/72/43/94/411724394.db2.gz BDGQPRXNYLRIAN-ZDUSSCGKSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)no1 ZINC000661168925 411725589 /nfs/dbraw/zinc/72/55/89/411725589.db2.gz ZQKSDHNDKUWGEQ-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)no1 ZINC000661168925 411725592 /nfs/dbraw/zinc/72/55/92/411725592.db2.gz ZQKSDHNDKUWGEQ-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)no1 ZINC000661168924 411726683 /nfs/dbraw/zinc/72/66/83/411726683.db2.gz ZQKSDHNDKUWGEQ-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)no1 ZINC000661168924 411726684 /nfs/dbraw/zinc/72/66/84/411726684.db2.gz ZQKSDHNDKUWGEQ-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@](C)(C2CC2)C1 ZINC000661166119 411726882 /nfs/dbraw/zinc/72/68/82/411726882.db2.gz AKLMFJVDIMHFLD-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000663975383 411798510 /nfs/dbraw/zinc/79/85/10/411798510.db2.gz PQKREXFELLLBMU-CABZTGNLSA-N 1 2 234.303 1.162 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)Nc1nccn(C)c1=O ZINC000621325279 411813221 /nfs/dbraw/zinc/81/32/21/411813221.db2.gz QYUKOROJBDCAPS-SECBINFHSA-N 1 2 247.302 1.170 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)Nc1nccn(C)c1=O ZINC000621325280 411814765 /nfs/dbraw/zinc/81/47/65/411814765.db2.gz QYUKOROJBDCAPS-VIFPVBQESA-N 1 2 247.302 1.170 20 0 BDADLO CCc1ncn(Cc2c[nH+]ccc2C)n1 ZINC000664041046 411824215 /nfs/dbraw/zinc/82/42/15/411824215.db2.gz CMPGNASEUNKHFU-UHFFFAOYSA-N 1 2 202.261 1.592 20 0 BDADLO Cc1cc(C[N@H+](C)CC2=CCCOC2)nn1C ZINC000661651537 411829161 /nfs/dbraw/zinc/82/91/61/411829161.db2.gz ACWMKQPQMITVIX-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO Cc1cc(C[N@@H+](C)CC2=CCCOC2)nn1C ZINC000661651537 411829166 /nfs/dbraw/zinc/82/91/66/411829166.db2.gz ACWMKQPQMITVIX-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCCC[C@@H]21 ZINC000664079662 411842664 /nfs/dbraw/zinc/84/26/64/411842664.db2.gz MSDLJSSBAKRWFB-ONGXEEELSA-N 1 2 243.314 1.742 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701471 411846971 /nfs/dbraw/zinc/84/69/71/411846971.db2.gz ANCRKZJVUXJZNW-FXPVBKGRSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701471 411846974 /nfs/dbraw/zinc/84/69/74/411846974.db2.gz ANCRKZJVUXJZNW-FXPVBKGRSA-N 1 2 239.344 1.567 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)[nH]1 ZINC000661717752 411856446 /nfs/dbraw/zinc/85/64/46/411856446.db2.gz ISTDFLRHOCIROW-SMDDNHRTSA-N 1 2 248.326 1.271 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)[nH]1 ZINC000661717752 411856451 /nfs/dbraw/zinc/85/64/51/411856451.db2.gz ISTDFLRHOCIROW-SMDDNHRTSA-N 1 2 248.326 1.271 20 0 BDADLO CCc1ncnc(N(C)Cc2c[nH+]c[nH]2)c1F ZINC000664127407 411862340 /nfs/dbraw/zinc/86/23/40/411862340.db2.gz PTEWLVZAEIGHHE-UHFFFAOYSA-N 1 2 235.266 1.538 20 0 BDADLO CCc1ncnc(N(C)Cc2c[nH]c[nH+]2)c1F ZINC000664127407 411862343 /nfs/dbraw/zinc/86/23/43/411862343.db2.gz PTEWLVZAEIGHHE-UHFFFAOYSA-N 1 2 235.266 1.538 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@@H]2CCC(C)(C)O2)nn1 ZINC000661744639 411862565 /nfs/dbraw/zinc/86/25/65/411862565.db2.gz KMUZTXSMYBKSGQ-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@@H]2CCC(C)(C)O2)nn1 ZINC000661744639 411862566 /nfs/dbraw/zinc/86/25/66/411862566.db2.gz KMUZTXSMYBKSGQ-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO CCc1cc(N(C)Cc2c[nH+]c[nH]2)ncn1 ZINC000664126812 411862822 /nfs/dbraw/zinc/86/28/22/411862822.db2.gz KQUXYFIGCZQTLM-UHFFFAOYSA-N 1 2 217.276 1.399 20 0 BDADLO Cc1noc2ncnc(N(C)Cc3c[nH+]c[nH]3)c12 ZINC000664125858 411863387 /nfs/dbraw/zinc/86/33/87/411863387.db2.gz ASNVCFWVWBKAHI-UHFFFAOYSA-N 1 2 244.258 1.286 20 0 BDADLO Cc1noc2ncnc(N(C)Cc3c[nH]c[nH+]3)c12 ZINC000664125858 411863391 /nfs/dbraw/zinc/86/33/91/411863391.db2.gz ASNVCFWVWBKAHI-UHFFFAOYSA-N 1 2 244.258 1.286 20 0 BDADLO CC(C)(C)c1nc(NC/C=C\CO)cc[nH+]1 ZINC000664238328 411894119 /nfs/dbraw/zinc/89/41/19/411894119.db2.gz XITHJSPRUNKAFM-PLNGDYQASA-N 1 2 221.304 1.735 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC000661833809 411898254 /nfs/dbraw/zinc/89/82/54/411898254.db2.gz CUSXRLNKPLQJQX-NXEZZACHSA-N 1 2 249.314 1.340 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC000661833810 411898263 /nfs/dbraw/zinc/89/82/63/411898263.db2.gz CUSXRLNKPLQJQX-UWVGGRQHSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000664349973 411928052 /nfs/dbraw/zinc/92/80/52/411928052.db2.gz OBJFLHCIYJEBRW-GDGBQDQQSA-N 1 2 221.304 1.238 20 0 BDADLO CC[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000267213539 170843478 /nfs/dbraw/zinc/84/34/78/170843478.db2.gz MEGLLWJSMXJEKL-VIFPVBQESA-N 1 2 217.272 1.813 20 0 BDADLO CO[C@@H](CNc1cc(C)[nH+]cn1)[C@@H]1CCOC1 ZINC000664160792 411874669 /nfs/dbraw/zinc/87/46/69/411874669.db2.gz DZCSJARSQSIKQW-MNOVXSKESA-N 1 2 237.303 1.248 20 0 BDADLO CCc1cc(NC[C@H](CO)CC2CC2)nc[nH+]1 ZINC000664464712 411965859 /nfs/dbraw/zinc/96/58/59/411965859.db2.gz WOGOCJHJCCZMRX-LLVKDONJSA-N 1 2 235.331 1.860 20 0 BDADLO c1c[nH]c(C[NH+]2CCC(c3ccon3)CC2)n1 ZINC000662048422 411965821 /nfs/dbraw/zinc/96/58/21/411965821.db2.gz YZOIHHUNELZNGM-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO c1c[nH+]c(CN2CCC(c3ccon3)CC2)[nH]1 ZINC000662048422 411965823 /nfs/dbraw/zinc/96/58/23/411965823.db2.gz YZOIHHUNELZNGM-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO CN1CCN(c2[nH]c3ccccc3[nH+]2)CCC1=O ZINC000664464608 411966699 /nfs/dbraw/zinc/96/66/99/411966699.db2.gz UJUYSDFOIZULAX-UHFFFAOYSA-N 1 2 244.298 1.231 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CCC2(COC2)C1 ZINC000662073387 411968451 /nfs/dbraw/zinc/96/84/51/411968451.db2.gz NBXJFIPKUVBNNQ-MRVPVSSYSA-N 1 2 225.317 1.321 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CCC2(COC2)C1 ZINC000662073387 411968452 /nfs/dbraw/zinc/96/84/52/411968452.db2.gz NBXJFIPKUVBNNQ-MRVPVSSYSA-N 1 2 225.317 1.321 20 0 BDADLO Cc1cncc(CCNc2cccc[nH+]2)n1 ZINC000664488162 411972477 /nfs/dbraw/zinc/97/24/77/411972477.db2.gz RHDGGIGNURPIRM-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CN(C)C(=O)N(C)[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000664540713 411980355 /nfs/dbraw/zinc/98/03/55/411980355.db2.gz LYMLKFGJJNIVEB-NSHDSACASA-N 1 2 248.330 1.274 20 0 BDADLO C[C@H](NC(=O)N(C)CC(F)F)c1[nH+]ccn1C ZINC000662093597 411984706 /nfs/dbraw/zinc/98/47/06/411984706.db2.gz FKAJCHAGOWNXEH-ZETCQYMHSA-N 1 2 246.261 1.388 20 0 BDADLO CC[C@@H]1CCN1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662090445 411985684 /nfs/dbraw/zinc/98/56/84/411985684.db2.gz DRZNMKNSRFJYKS-VHSXEESVSA-N 1 2 236.319 1.675 20 0 BDADLO C[C@H](NC(=O)N1CCC[C@H]1C)c1[nH+]ccn1C ZINC000662102882 411988686 /nfs/dbraw/zinc/98/86/86/411988686.db2.gz ZNIWMGDTUQETMT-ZJUUUORDSA-N 1 2 236.319 1.675 20 0 BDADLO c1cc(N2CCC3(COC3)C2)nc(C2CC2)[nH+]1 ZINC000664570733 411989503 /nfs/dbraw/zinc/98/95/03/411989503.db2.gz VIPLNIQBTLONQU-UHFFFAOYSA-N 1 2 231.299 1.581 20 0 BDADLO CCn1cc[nH+]c1CN1CCc2nccnc2C1 ZINC000662121389 411991736 /nfs/dbraw/zinc/99/17/36/411991736.db2.gz BAMKLBDWNFYSJC-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO C[C@@H](Nc1nccn2cnnc12)c1[nH+]ccn1C ZINC000664608673 411997930 /nfs/dbraw/zinc/99/79/30/411997930.db2.gz JJBLXLWXLOYEQB-MRVPVSSYSA-N 1 2 243.274 1.031 20 0 BDADLO Cc1nnc(CN(C)c2cccc[nH+]2)s1 ZINC000664635854 412001510 /nfs/dbraw/zinc/00/15/10/412001510.db2.gz MOQQPSPUPGFVCV-UHFFFAOYSA-N 1 2 220.301 1.878 20 0 BDADLO CCc1cc(NCCOCCF)nc[nH+]1 ZINC000664674145 412008257 /nfs/dbraw/zinc/00/82/57/412008257.db2.gz DHRSHSHNRWKICU-UHFFFAOYSA-N 1 2 213.256 1.437 20 0 BDADLO OC[C@@H]([NH2+]CCF)c1ccc(F)cc1F ZINC000662165264 412015215 /nfs/dbraw/zinc/01/52/15/412015215.db2.gz MFHSEBNYOQQLOK-SNVBAGLBSA-N 1 2 219.206 1.557 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662029616 411945603 /nfs/dbraw/zinc/94/56/03/411945603.db2.gz HUWXKAGRMIALQF-OPRDCNLKSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662029616 411945606 /nfs/dbraw/zinc/94/56/06/411945606.db2.gz HUWXKAGRMIALQF-OPRDCNLKSA-N 1 2 239.344 1.567 20 0 BDADLO Nc1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000575583427 411961946 /nfs/dbraw/zinc/96/19/46/411961946.db2.gz KTIZOJXGSLHZOO-LURJTMIESA-N 1 2 201.270 1.269 20 0 BDADLO Nc1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000575583427 411961952 /nfs/dbraw/zinc/96/19/52/411961952.db2.gz KTIZOJXGSLHZOO-LURJTMIESA-N 1 2 201.270 1.269 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664817864 412025411 /nfs/dbraw/zinc/02/54/11/412025411.db2.gz FKHSGCACMRKCBC-GFCCVEGCSA-N 1 2 233.315 1.211 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664817864 412025413 /nfs/dbraw/zinc/02/54/13/412025413.db2.gz FKHSGCACMRKCBC-GFCCVEGCSA-N 1 2 233.315 1.211 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(CCCF)n1 ZINC000664824087 412027356 /nfs/dbraw/zinc/02/73/56/412027356.db2.gz LULMXUDBVLPPBS-UHFFFAOYSA-N 1 2 224.239 1.296 20 0 BDADLO CCOC1CC(C[N@@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664860219 412032148 /nfs/dbraw/zinc/03/21/48/412032148.db2.gz DZJPEENFXVRSJT-UHFFFAOYSA-N 1 2 249.358 1.973 20 0 BDADLO CCOC1CC(C[N@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664860219 412032154 /nfs/dbraw/zinc/03/21/54/412032154.db2.gz DZJPEENFXVRSJT-UHFFFAOYSA-N 1 2 249.358 1.973 20 0 BDADLO CC[C@@H]1CN(Cc2cc(OC)cc[nH+]2)CCO1 ZINC000106859736 171087408 /nfs/dbraw/zinc/08/74/08/171087408.db2.gz TYTRISAEIIQSNX-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)[S@]1=O ZINC000285631210 171087489 /nfs/dbraw/zinc/08/74/89/171087489.db2.gz CVPSGLLYCCAPFF-YRXQGLPXSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C)[S@]1=O ZINC000285631210 171087491 /nfs/dbraw/zinc/08/74/91/171087491.db2.gz CVPSGLLYCCAPFF-YRXQGLPXSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000050813685 171087900 /nfs/dbraw/zinc/08/79/00/171087900.db2.gz ZRQGDKQUOJJQBU-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000050813685 171087902 /nfs/dbraw/zinc/08/79/02/171087902.db2.gz ZRQGDKQUOJJQBU-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)cn1 ZINC000335766366 171105189 /nfs/dbraw/zinc/10/51/89/171105189.db2.gz HEOMNWNCCPBMGX-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(F)cn1 ZINC000335766366 171105192 /nfs/dbraw/zinc/10/51/92/171105192.db2.gz HEOMNWNCCPBMGX-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccn(C)n1 ZINC000271018635 171111064 /nfs/dbraw/zinc/11/10/64/171111064.db2.gz SJDWIHGIWAAWSW-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000271018635 171111067 /nfs/dbraw/zinc/11/10/67/171111067.db2.gz SJDWIHGIWAAWSW-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711258 171158676 /nfs/dbraw/zinc/15/86/76/171158676.db2.gz PBAQTDZQKOBTES-JGVFFNPUSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711258 171158679 /nfs/dbraw/zinc/15/86/79/171158679.db2.gz PBAQTDZQKOBTES-JGVFFNPUSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@](C)(CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119829466 171168857 /nfs/dbraw/zinc/16/88/57/171168857.db2.gz MHBDJBAPTIHZPH-LBPRGKRZSA-N 1 2 237.303 1.673 20 0 BDADLO CC[C@@](C)([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000336682856 171175348 /nfs/dbraw/zinc/17/53/48/171175348.db2.gz DFQMSZKLTKHNNJ-GFCCVEGCSA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000340872453 171204325 /nfs/dbraw/zinc/20/43/25/171204325.db2.gz FCEIEKFKWQFLFF-ZDUSSCGKSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC(C)(C)C ZINC000340872453 171204329 /nfs/dbraw/zinc/20/43/29/171204329.db2.gz FCEIEKFKWQFLFF-ZDUSSCGKSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCc2cncnc2C1 ZINC000332730540 171221424 /nfs/dbraw/zinc/22/14/24/171221424.db2.gz VOSXNQZXAHDMTO-SNVBAGLBSA-N 1 2 220.276 1.149 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCc2cncnc2C1 ZINC000332730540 171221425 /nfs/dbraw/zinc/22/14/25/171221425.db2.gz VOSXNQZXAHDMTO-SNVBAGLBSA-N 1 2 220.276 1.149 20 0 BDADLO CC[C@H](C(=O)Nc1cc[nH+]c(C)c1)C(=O)OC ZINC000277313989 171235027 /nfs/dbraw/zinc/23/50/27/171235027.db2.gz TVXWHICIPFRNRW-SNVBAGLBSA-N 1 2 236.271 1.528 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)CCc1ccccn1 ZINC000194586342 171240735 /nfs/dbraw/zinc/24/07/35/171240735.db2.gz JLUJZEPFNAFLHW-GFCCVEGCSA-N 1 2 236.315 1.508 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)CCc1ccccn1 ZINC000194586342 171240737 /nfs/dbraw/zinc/24/07/37/171240737.db2.gz JLUJZEPFNAFLHW-GFCCVEGCSA-N 1 2 236.315 1.508 20 0 BDADLO CC[C@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000360296250 171302941 /nfs/dbraw/zinc/30/29/41/171302941.db2.gz OFMBPAZRUQXMBN-VIFPVBQESA-N 1 2 224.308 1.360 20 0 BDADLO CC[C@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000047500613 171329545 /nfs/dbraw/zinc/32/95/45/171329545.db2.gz MCSKJEDJTNRJRC-JTQLQIEISA-N 1 2 236.319 1.591 20 0 BDADLO CC[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336568745 171330012 /nfs/dbraw/zinc/33/00/12/171330012.db2.gz BMCRWWVXDBWJPP-UWVGGRQHSA-N 1 2 236.319 1.296 20 0 BDADLO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(O)cc1 ZINC000038067189 171345122 /nfs/dbraw/zinc/34/51/22/171345122.db2.gz XCEHMHRIZFDMDS-JOYOIKCWSA-N 1 2 237.299 1.994 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360817124 171362966 /nfs/dbraw/zinc/36/29/66/171362966.db2.gz LXFRORZROJUDPI-YIZRAAEISA-N 1 2 234.290 1.534 20 0 BDADLO CC[C@H](C)[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302906703 171391537 /nfs/dbraw/zinc/39/15/37/171391537.db2.gz XBRIQWSBBQUMQY-YUMQZZPRSA-N 1 2 248.334 1.792 20 0 BDADLO CC[C@H](C)[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000090166163 171399874 /nfs/dbraw/zinc/39/98/74/171399874.db2.gz HKMRIJOEJOYBPX-ONGXEEELSA-N 1 2 239.319 1.097 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000277498592 171403787 /nfs/dbraw/zinc/40/37/87/171403787.db2.gz RCCAEJKTDIZUAY-NKWVEPMBSA-N 1 2 244.726 1.531 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000277498592 171403789 /nfs/dbraw/zinc/40/37/89/171403789.db2.gz RCCAEJKTDIZUAY-NKWVEPMBSA-N 1 2 244.726 1.531 20 0 BDADLO CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665155371 412114273 /nfs/dbraw/zinc/11/42/73/412114273.db2.gz RRPGQIADNMHLMQ-RKDXNWHRSA-N 1 2 207.277 1.050 20 0 BDADLO Cc1cc(CNC(=O)N[C@H]2C[C@H](O)C2)cc(C)[nH+]1 ZINC000665166132 412117853 /nfs/dbraw/zinc/11/78/53/412117853.db2.gz ZCDBAQSBZJEPQG-HAQNSBGRSA-N 1 2 249.314 1.021 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCOC2CCC2)CCO1 ZINC000662369040 412127553 /nfs/dbraw/zinc/12/75/53/412127553.db2.gz KTNFAPMNMPSZMY-GFCCVEGCSA-N 1 2 249.301 1.912 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCOC2CCC2)CCO1 ZINC000662369040 412127556 /nfs/dbraw/zinc/12/75/56/412127556.db2.gz KTNFAPMNMPSZMY-GFCCVEGCSA-N 1 2 249.301 1.912 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@](C)(C(F)F)C1 ZINC000662370924 412128560 /nfs/dbraw/zinc/12/85/60/412128560.db2.gz HUVUCRMOWRFHPG-NSHDSACASA-N 1 2 245.273 1.276 20 0 BDADLO CC1(C)OC[C@H]2C[C@]21C(=O)Nc1ccc(N)[nH+]c1 ZINC000662411507 412155598 /nfs/dbraw/zinc/15/55/98/412155598.db2.gz JLDPVTAYIQIARD-AMIZOPFISA-N 1 2 247.298 1.417 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(OC)cn2)CCO1 ZINC000271918811 171662304 /nfs/dbraw/zinc/66/23/04/171662304.db2.gz JXFYNOMMQKWWBQ-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(OC)cn2)CCO1 ZINC000271918811 171662306 /nfs/dbraw/zinc/66/23/06/171662306.db2.gz JXFYNOMMQKWWBQ-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ncccc1F ZINC000665475496 412334279 /nfs/dbraw/zinc/33/42/79/412334279.db2.gz XMYHLXOLJBTELD-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO COC(=O)NCCNc1cc[nH+]c(C(C)C)n1 ZINC000495967990 412334402 /nfs/dbraw/zinc/33/44/02/412334402.db2.gz IQASOFZQHGONKX-UHFFFAOYSA-N 1 2 238.291 1.368 20 0 BDADLO C[C@H](CCNc1[nH+]cccc1C(=O)[O-])[NH+](C)C ZINC000662883303 412335141 /nfs/dbraw/zinc/33/51/41/412335141.db2.gz LIPLSWLNOCPGPF-SECBINFHSA-N 1 2 237.303 1.532 20 0 BDADLO NC(=O)[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000624541210 412293571 /nfs/dbraw/zinc/29/35/71/412293571.db2.gz UNUAHZVGVSJNRL-DTORHVGOSA-N 1 2 232.287 1.030 20 0 BDADLO CCc1nc([C@@H](C)[NH2+][C@H](CC)C(N)=O)cs1 ZINC000112547171 172002801 /nfs/dbraw/zinc/00/28/01/172002801.db2.gz CQLCMMWDDVWMKJ-HTQZYQBOSA-N 1 2 241.360 1.620 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@H]2CCCO2)o1 ZINC000051555478 172047993 /nfs/dbraw/zinc/04/79/93/172047993.db2.gz RQFXBEUBCXKDKI-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@H]2CCCO2)o1 ZINC000051555478 172047994 /nfs/dbraw/zinc/04/79/94/172047994.db2.gz RQFXBEUBCXKDKI-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000273403948 172089142 /nfs/dbraw/zinc/08/91/42/172089142.db2.gz RKCYMXDRIOFCFF-DTWKUNHWSA-N 1 2 249.318 1.777 20 0 BDADLO CCc1noc([C@H](C)N2CCn3cc[nH+]c3C2)n1 ZINC000331899607 172090353 /nfs/dbraw/zinc/09/03/53/172090353.db2.gz PSQLOTVMERTQSD-VIFPVBQESA-N 1 2 247.302 1.405 20 0 BDADLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000293292169 172094593 /nfs/dbraw/zinc/09/45/93/172094593.db2.gz DGLGCIJISAZOTE-VIFPVBQESA-N 1 2 239.319 1.146 20 0 BDADLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000293292169 172094597 /nfs/dbraw/zinc/09/45/97/172094597.db2.gz DGLGCIJISAZOTE-VIFPVBQESA-N 1 2 239.319 1.146 20 0 BDADLO CCn1cccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000267480716 172203101 /nfs/dbraw/zinc/20/31/01/172203101.db2.gz XQXSWOOYFIVWCQ-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO CCn1cccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000267480716 172203103 /nfs/dbraw/zinc/20/31/03/172203103.db2.gz XQXSWOOYFIVWCQ-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@H]1C[C@H]1C ZINC000296510074 172221624 /nfs/dbraw/zinc/22/16/24/172221624.db2.gz YOIBZEYLUYOYEJ-NXEZZACHSA-N 1 2 236.319 1.358 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC1(C)C ZINC000295574583 172221874 /nfs/dbraw/zinc/22/18/74/172221874.db2.gz GNACCGVXPVODLG-SECBINFHSA-N 1 2 221.304 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC(C)(C)CC ZINC000298253114 172223183 /nfs/dbraw/zinc/22/31/83/172223183.db2.gz YWFWREVRUGEATA-UHFFFAOYSA-N 1 2 238.335 1.891 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC(C)(C)C ZINC000295755204 172223203 /nfs/dbraw/zinc/22/32/03/172223203.db2.gz NRVKFDMFNXPGSC-UHFFFAOYSA-N 1 2 223.320 1.955 20 0 BDADLO CCn1ccnc1CNc1cccc[nH+]1 ZINC000268209770 172225859 /nfs/dbraw/zinc/22/58/59/172225859.db2.gz TYMWLNIHYNVBIR-UHFFFAOYSA-N 1 2 202.261 1.910 20 0 BDADLO CCn1cc[nH+]c1CNc1cccnc1 ZINC000051920673 172226534 /nfs/dbraw/zinc/22/65/34/172226534.db2.gz XKNLMPLEOHYYCG-UHFFFAOYSA-N 1 2 202.261 1.910 20 0 BDADLO CCn1nc(C)c(CNc2c[nH+]ccc2C)n1 ZINC000294927697 172247168 /nfs/dbraw/zinc/24/71/68/172247168.db2.gz BBVHHOKKGRLKSH-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1ccnc(N)c1 ZINC000352341181 172265008 /nfs/dbraw/zinc/26/50/08/172265008.db2.gz FZVVZDBBKMWMAY-UHFFFAOYSA-N 1 2 245.330 1.343 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1ccnc(N)c1 ZINC000352341181 172265010 /nfs/dbraw/zinc/26/50/10/172265010.db2.gz FZVVZDBBKMWMAY-UHFFFAOYSA-N 1 2 245.330 1.343 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(C)cn1 ZINC000355600935 172282661 /nfs/dbraw/zinc/28/26/61/172282661.db2.gz RMLNQYQAIOBXEQ-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1)C1CC1 ZINC000278640918 172310153 /nfs/dbraw/zinc/31/01/53/172310153.db2.gz OXSXQPUKPAISMH-LBPRGKRZSA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1)C1CC1 ZINC000278640918 172310155 /nfs/dbraw/zinc/31/01/55/172310155.db2.gz OXSXQPUKPAISMH-LBPRGKRZSA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCOC1 ZINC000365822123 172329223 /nfs/dbraw/zinc/32/92/23/172329223.db2.gz UMFUOOFSIMUZRL-GHMZBOCLSA-N 1 2 249.314 1.008 20 0 BDADLO CN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCOC1 ZINC000264551233 172340805 /nfs/dbraw/zinc/34/08/05/172340805.db2.gz VNLSZGDJYHBHGO-NSHDSACASA-N 1 2 245.282 1.195 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891705 172365934 /nfs/dbraw/zinc/36/59/34/172365934.db2.gz VVQHCBBYDXAWDW-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891705 172365937 /nfs/dbraw/zinc/36/59/37/172365937.db2.gz VVQHCBBYDXAWDW-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CN(C)C(=O)O[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000295057468 172382683 /nfs/dbraw/zinc/38/26/83/172382683.db2.gz YIJRMVSSGMBODV-SNVBAGLBSA-N 1 2 235.287 1.359 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCCO1 ZINC000153994062 172585268 /nfs/dbraw/zinc/58/52/68/172585268.db2.gz CXGYLCVSSDUYMB-JTQLQIEISA-N 1 2 235.287 1.265 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCC(C)(C)C ZINC000298688717 172929281 /nfs/dbraw/zinc/92/92/81/172929281.db2.gz FGIDRGNWGWXVER-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO C[N@@H+]1CCC[C@H](NCc2ccccn2)C1 ZINC000040672375 173046905 /nfs/dbraw/zinc/04/69/05/173046905.db2.gz XHEVQSNAZFXOPM-LBPRGKRZSA-N 1 2 205.305 1.265 20 0 BDADLO C[N@H+]1CCC[C@H](NCc2ccccn2)C1 ZINC000040672375 173046906 /nfs/dbraw/zinc/04/69/06/173046906.db2.gz XHEVQSNAZFXOPM-LBPRGKRZSA-N 1 2 205.305 1.265 20 0 BDADLO C[N@@H+]1CCN(C(=O)C(F)F)c2ccccc2C1 ZINC000369632706 173065043 /nfs/dbraw/zinc/06/50/43/173065043.db2.gz VPXSTTJZZHXMEU-UHFFFAOYSA-N 1 2 240.253 1.730 20 0 BDADLO C[N@H+]1CCN(C(=O)C(F)F)c2ccccc2C1 ZINC000369632706 173065045 /nfs/dbraw/zinc/06/50/45/173065045.db2.gz VPXSTTJZZHXMEU-UHFFFAOYSA-N 1 2 240.253 1.730 20 0 BDADLO CN1CC[N@H+](Cc2c[nH]nn2)Cc2ccccc21 ZINC000284275819 173088726 /nfs/dbraw/zinc/08/87/26/173088726.db2.gz NCAZGTBOPBIMEO-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO CN1CC[N@@H+](Cc2c[nH]nn2)Cc2ccccc21 ZINC000284275819 173088727 /nfs/dbraw/zinc/08/87/27/173088727.db2.gz NCAZGTBOPBIMEO-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000119002977 173122795 /nfs/dbraw/zinc/12/27/95/173122795.db2.gz LNFHWZCAQRMHDQ-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@@H]([N@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000119002977 173122798 /nfs/dbraw/zinc/12/27/98/173122798.db2.gz LNFHWZCAQRMHDQ-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000302770899 173126116 /nfs/dbraw/zinc/12/61/16/173126116.db2.gz MUXSJYLPBSDULL-SNVBAGLBSA-N 1 2 246.314 1.387 20 0 BDADLO CNC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000127793846 173272400 /nfs/dbraw/zinc/27/24/00/173272400.db2.gz OUKFJIYOFACMCL-VIFPVBQESA-N 1 2 222.288 1.551 20 0 BDADLO CNC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000127793846 173272403 /nfs/dbraw/zinc/27/24/03/173272403.db2.gz OUKFJIYOFACMCL-VIFPVBQESA-N 1 2 222.288 1.551 20 0 BDADLO CNC(=O)[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000079045527 173303863 /nfs/dbraw/zinc/30/38/63/173303863.db2.gz WBETYEZFUBVPPV-QMMMGPOBSA-N 1 2 232.287 1.120 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000135026198 173306324 /nfs/dbraw/zinc/30/63/24/173306324.db2.gz IXKFKFNVMJVKBO-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC000135026198 173306325 /nfs/dbraw/zinc/30/63/25/173306325.db2.gz IXKFKFNVMJVKBO-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000336478995 173308023 /nfs/dbraw/zinc/30/80/23/173308023.db2.gz KUBPAMPBTJMTOS-QMMMGPOBSA-N 1 2 221.304 1.384 20 0 BDADLO CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000336478995 173308024 /nfs/dbraw/zinc/30/80/24/173308024.db2.gz KUBPAMPBTJMTOS-QMMMGPOBSA-N 1 2 221.304 1.384 20 0 BDADLO CNC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368325703 173310600 /nfs/dbraw/zinc/31/06/00/173310600.db2.gz AOQOXHIVEHWHHG-QWHCGFSZSA-N 1 2 246.310 1.019 20 0 BDADLO CNC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368325703 173310601 /nfs/dbraw/zinc/31/06/01/173310601.db2.gz AOQOXHIVEHWHHG-QWHCGFSZSA-N 1 2 246.310 1.019 20 0 BDADLO C[NH2+]Cc1noc(Cc2cc(C)ccc2C)n1 ZINC000053145801 173399379 /nfs/dbraw/zinc/39/93/79/173399379.db2.gz MXONFATVSVFHMS-UHFFFAOYSA-N 1 2 231.299 1.997 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000172200132 173576542 /nfs/dbraw/zinc/57/65/42/173576542.db2.gz RTZIBBOCBOCFGQ-UHFFFAOYSA-N 1 2 241.718 1.987 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000172200132 173576545 /nfs/dbraw/zinc/57/65/45/173576545.db2.gz RTZIBBOCBOCFGQ-UHFFFAOYSA-N 1 2 241.718 1.987 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1)C1CC1 ZINC000227767340 173711227 /nfs/dbraw/zinc/71/12/27/173711227.db2.gz YBYQVMZEIBRSKS-ZDUSSCGKSA-N 1 2 249.310 1.607 20 0 BDADLO COC(=O)[C@@]1([NH2+]CC2(C)CCC2)CCOC1 ZINC000336682142 173761238 /nfs/dbraw/zinc/76/12/38/173761238.db2.gz PJIKJGAUFPRNAY-GFCCVEGCSA-N 1 2 227.304 1.098 20 0 BDADLO COC1(CNc2cc[nH+]c(C)n2)CCC1 ZINC000227304237 174006725 /nfs/dbraw/zinc/00/67/25/174006725.db2.gz NQLFIDRULVTJPC-UHFFFAOYSA-N 1 2 207.277 1.766 20 0 BDADLO COC1CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000359704253 174036431 /nfs/dbraw/zinc/03/64/31/174036431.db2.gz LCYCZSNMPCXCFK-UHFFFAOYSA-N 1 2 233.315 1.499 20 0 BDADLO COCC1(C[N@H+](C)Cc2noc(C)n2)CCC1 ZINC000361357551 174096492 /nfs/dbraw/zinc/09/64/92/174096492.db2.gz XRPNIKZJSHCCPX-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO COCC1(C[N@@H+](C)Cc2noc(C)n2)CCC1 ZINC000361357551 174096494 /nfs/dbraw/zinc/09/64/94/174096494.db2.gz XRPNIKZJSHCCPX-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO COCC1(O)C[NH+](C/C=C/c2ccccc2)C1 ZINC000297414526 174113884 /nfs/dbraw/zinc/11/38/84/174113884.db2.gz DEFWGPBGIRSHTD-VMPITWQZSA-N 1 2 233.311 1.393 20 0 BDADLO COCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281214826 174137256 /nfs/dbraw/zinc/13/72/56/174137256.db2.gz QXJPDSFLCMFZHB-UHFFFAOYSA-N 1 2 219.244 1.309 20 0 BDADLO COCCC(=O)Nc1c[nH+]ccc1OC ZINC000171286218 174137493 /nfs/dbraw/zinc/13/74/93/174137493.db2.gz IGFRMPVIOCOSBS-UHFFFAOYSA-N 1 2 210.233 1.065 20 0 BDADLO COCCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000331904020 174149009 /nfs/dbraw/zinc/14/90/09/174149009.db2.gz NWTYOWORRUKTMU-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COCCN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268002545 174272410 /nfs/dbraw/zinc/27/24/10/174272410.db2.gz DAYSJZSFPUPAKD-UHFFFAOYSA-N 1 2 237.303 1.809 20 0 BDADLO COC[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000081110089 487628353 /nfs/dbraw/zinc/62/83/53/487628353.db2.gz HURTUXLOKIOGFN-LLVKDONJSA-N 1 2 222.288 1.047 20 0 BDADLO COCC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279350109 174283517 /nfs/dbraw/zinc/28/35/17/174283517.db2.gz FLDMRCFTTZIANT-SECBINFHSA-N 1 2 225.292 1.130 20 0 BDADLO COCC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279350109 174283518 /nfs/dbraw/zinc/28/35/18/174283518.db2.gz FLDMRCFTTZIANT-SECBINFHSA-N 1 2 225.292 1.130 20 0 BDADLO COCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000161583335 174330288 /nfs/dbraw/zinc/33/02/88/174330288.db2.gz FCXFEOHNDQKSDI-UHFFFAOYSA-N 1 2 225.292 1.383 20 0 BDADLO COCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364742877 174340175 /nfs/dbraw/zinc/34/01/75/174340175.db2.gz YXXSPLXNSPJTRY-LLVKDONJSA-N 1 2 232.287 1.130 20 0 BDADLO COCCOCCCNc1cc[nH+]c(C)n1 ZINC000229943497 174351023 /nfs/dbraw/zinc/35/10/23/174351023.db2.gz DZXSEXRPWDNDOT-UHFFFAOYSA-N 1 2 225.292 1.250 20 0 BDADLO COCCOCC[N@H+](C)Cc1nc(C)c(C)o1 ZINC000336711785 174351757 /nfs/dbraw/zinc/35/17/57/174351757.db2.gz NQVLSNKWMMVHHJ-UHFFFAOYSA-N 1 2 242.319 1.386 20 0 BDADLO COCCOCC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000336711785 174351758 /nfs/dbraw/zinc/35/17/58/174351758.db2.gz NQVLSNKWMMVHHJ-UHFFFAOYSA-N 1 2 242.319 1.386 20 0 BDADLO COCCOCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000289189771 174352928 /nfs/dbraw/zinc/35/29/28/174352928.db2.gz WODISPGVSIZBGD-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO COCC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccco1 ZINC000272496387 174394362 /nfs/dbraw/zinc/39/43/62/174394362.db2.gz GDWIXRGRZHXQAB-GFCCVEGCSA-N 1 2 249.314 1.881 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000291328865 174398543 /nfs/dbraw/zinc/39/85/43/174398543.db2.gz UJCXUEDLEDFRMQ-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1ccccn1 ZINC000291328865 174398544 /nfs/dbraw/zinc/39/85/44/174398544.db2.gz UJCXUEDLEDFRMQ-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CO[C@@]1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282758015 174793003 /nfs/dbraw/zinc/79/30/03/174793003.db2.gz KTJBSCLRLLRCAJ-IHVVCDCBSA-N 1 2 249.314 1.450 20 0 BDADLO COc1cc(OC)c(C[NH2+]CCF)c(OC)c1 ZINC000280581861 175007317 /nfs/dbraw/zinc/00/73/17/175007317.db2.gz AHPIRIQGBRFGIU-UHFFFAOYSA-N 1 2 243.278 1.772 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ccon2)nc1 ZINC000338301010 175111404 /nfs/dbraw/zinc/11/14/04/175111404.db2.gz KLKGWDWLZNGTEH-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO COc1ccc([NH2+]C(C)C)cc1-n1cnnn1 ZINC000267999635 175149227 /nfs/dbraw/zinc/14/92/27/175149227.db2.gz MNPSJPQGBDZZFK-UHFFFAOYSA-N 1 2 233.275 1.491 20 0 BDADLO COc1ccc(OC)c(C[NH+]2CC(OC)C2)c1 ZINC000358464866 175165668 /nfs/dbraw/zinc/16/56/68/175165668.db2.gz XUBYFJBIGVOGKH-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2nnnn2C)cc1 ZINC000341214017 175177471 /nfs/dbraw/zinc/17/74/71/175177471.db2.gz ATIXLXVCACLSRJ-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccc2[nH+]ccc(OCCO)c2c1 ZINC000053994787 175230030 /nfs/dbraw/zinc/23/00/30/175230030.db2.gz CSSIFQIQRKRCBI-UHFFFAOYSA-N 1 2 219.240 1.615 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000294983327 175257164 /nfs/dbraw/zinc/25/71/64/175257164.db2.gz JZPJKNBOTXNAAE-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000294983327 175257168 /nfs/dbraw/zinc/25/71/68/175257168.db2.gz JZPJKNBOTXNAAE-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000178585497 175260362 /nfs/dbraw/zinc/26/03/62/175260362.db2.gz MHNREEGHBKOYTN-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000178585497 175260364 /nfs/dbraw/zinc/26/03/64/175260364.db2.gz MHNREEGHBKOYTN-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000264789122 175260686 /nfs/dbraw/zinc/26/06/86/175260686.db2.gz BHUCOMTTXUOEFZ-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000264789122 175260687 /nfs/dbraw/zinc/26/06/87/175260687.db2.gz BHUCOMTTXUOEFZ-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000090969610 175288149 /nfs/dbraw/zinc/28/81/49/175288149.db2.gz PBZGWSQCZGJAGT-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093084828 175328125 /nfs/dbraw/zinc/32/81/25/175328125.db2.gz GSGZXTIVENPZMZ-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccccc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093084828 175328127 /nfs/dbraw/zinc/32/81/27/175328127.db2.gz GSGZXTIVENPZMZ-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000264398726 175358991 /nfs/dbraw/zinc/35/89/91/175358991.db2.gz GMILCZZGTIJFPN-KGLIPLIRSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000264398726 175358993 /nfs/dbraw/zinc/35/89/93/175358993.db2.gz GMILCZZGTIJFPN-KGLIPLIRSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000264398726 175358995 /nfs/dbraw/zinc/35/89/95/175358995.db2.gz GMILCZZGTIJFPN-KGLIPLIRSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]c(CN2CCn3ccnc3C2)c1 ZINC000359135618 175360779 /nfs/dbraw/zinc/36/07/79/175360779.db2.gz GVTUHVCSSARRGU-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC[C@H]1C[C@H]1C ZINC000292869444 175369393 /nfs/dbraw/zinc/36/93/93/175369393.db2.gz BUSYGXJHVJWMAZ-NXEZZACHSA-N 1 2 249.314 1.545 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[C@@H]1C ZINC000292869455 175369546 /nfs/dbraw/zinc/36/95/46/175369546.db2.gz BUSYGXJHVJWMAZ-UWVGGRQHSA-N 1 2 249.314 1.545 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CC1CC1 ZINC000293428502 175370625 /nfs/dbraw/zinc/37/06/25/175370625.db2.gz SCVDEGLGCFYONA-UHFFFAOYSA-N 1 2 220.272 1.507 20 0 BDADLO COc1ccncc1C[NH2+]Cc1cc[nH]n1 ZINC000309838920 175371556 /nfs/dbraw/zinc/37/15/56/175371556.db2.gz NJJZORQUTJKLIP-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CCCO1 ZINC000299484645 175374386 /nfs/dbraw/zinc/37/43/86/175374386.db2.gz LFUSEIOKUYLUNN-SECBINFHSA-N 1 2 236.271 1.598 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1ccnn1C ZINC000277591284 175374644 /nfs/dbraw/zinc/37/46/44/175374644.db2.gz LPEUAZTXFMHVFH-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCO1 ZINC000134556395 175374701 /nfs/dbraw/zinc/37/47/01/175374701.db2.gz WBGIRNZFYZNVEY-JTQLQIEISA-N 1 2 222.244 1.208 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CSC1CC1 ZINC000294621796 175375502 /nfs/dbraw/zinc/37/55/02/175375502.db2.gz RPJWOBDBZVLKKZ-UHFFFAOYSA-N 1 2 238.312 1.924 20 0 BDADLO COc1ccsc1C[N@H+](CC(N)=O)C(C)C ZINC000271031201 175377296 /nfs/dbraw/zinc/37/72/96/175377296.db2.gz HPPKXFYGQMCPGA-UHFFFAOYSA-N 1 2 242.344 1.452 20 0 BDADLO COc1ccsc1C[N@@H+](CC(N)=O)C(C)C ZINC000271031201 175377298 /nfs/dbraw/zinc/37/72/98/175377298.db2.gz HPPKXFYGQMCPGA-UHFFFAOYSA-N 1 2 242.344 1.452 20 0 BDADLO COc1ncc(C)cc1NCc1[nH]cc[nH+]1 ZINC000119853793 175398228 /nfs/dbraw/zinc/39/82/28/175398228.db2.gz HGLJZEXSOWGXAH-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259986 175604495 /nfs/dbraw/zinc/60/44/95/175604495.db2.gz YRAUUEBKVVSWAI-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](F)C1 ZINC000336259986 175604497 /nfs/dbraw/zinc/60/44/97/175604497.db2.gz YRAUUEBKVVSWAI-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H]([C@H](C)[N@H+](C)Cc1ccco1)S(C)(=O)=O ZINC000093420116 176011354 /nfs/dbraw/zinc/01/13/54/176011354.db2.gz KZMHJRXXJXJPMJ-VHSXEESVSA-N 1 2 245.344 1.533 20 0 BDADLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccco1)S(C)(=O)=O ZINC000093420116 176011355 /nfs/dbraw/zinc/01/13/55/176011355.db2.gz KZMHJRXXJXJPMJ-VHSXEESVSA-N 1 2 245.344 1.533 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cnnn1C ZINC000131035147 176031573 /nfs/dbraw/zinc/03/15/73/176031573.db2.gz MBVUXXKRSNMQKT-VIFPVBQESA-N 1 2 220.276 1.601 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cnnn1C ZINC000131035147 176031575 /nfs/dbraw/zinc/03/15/75/176031575.db2.gz MBVUXXKRSNMQKT-VIFPVBQESA-N 1 2 220.276 1.601 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CCS(C)(=O)=O ZINC000069065131 176032127 /nfs/dbraw/zinc/03/21/27/176032127.db2.gz DHEMQCHHZCYQOB-VIFPVBQESA-N 1 2 231.317 1.317 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CCS(C)(=O)=O ZINC000069065131 176032129 /nfs/dbraw/zinc/03/21/29/176032129.db2.gz DHEMQCHHZCYQOB-VIFPVBQESA-N 1 2 231.317 1.317 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[NH+]1CCCCC1 ZINC000290174404 176038619 /nfs/dbraw/zinc/03/86/19/176038619.db2.gz YPHIZRPOLJDVKZ-ZETCQYMHSA-N 1 2 241.726 1.654 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1CC[C@@H](C)C1 ZINC000289998341 176038671 /nfs/dbraw/zinc/03/86/71/176038671.db2.gz KZCIJHZNARCZHC-RQJHMYQMSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1CC[C@@H](C)C1 ZINC000289998341 176038672 /nfs/dbraw/zinc/03/86/72/176038672.db2.gz KZCIJHZNARCZHC-RQJHMYQMSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336266733 176040857 /nfs/dbraw/zinc/04/08/57/176040857.db2.gz JVMVQGIQGXAVIP-GXSJLCMTSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000336266733 176040858 /nfs/dbraw/zinc/04/08/58/176040858.db2.gz JVMVQGIQGXAVIP-GXSJLCMTSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000123533348 176046879 /nfs/dbraw/zinc/04/68/79/176046879.db2.gz AMLVGYFNUFVOMU-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000123533348 176046880 /nfs/dbraw/zinc/04/68/80/176046880.db2.gz AMLVGYFNUFVOMU-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000043311749 176068069 /nfs/dbraw/zinc/06/80/69/176068069.db2.gz SDYQJFKWAAFYFT-LLVKDONJSA-N 1 2 236.319 1.467 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000265922752 176091717 /nfs/dbraw/zinc/09/17/17/176091717.db2.gz MHSJNZNKQNIDEJ-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279114232 176092381 /nfs/dbraw/zinc/09/23/81/176092381.db2.gz CJVHOGCYFBMNEI-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000120137284 176113689 /nfs/dbraw/zinc/11/36/89/176113689.db2.gz MXJANEJZAONUBS-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000339520399 176127791 /nfs/dbraw/zinc/12/77/91/176127791.db2.gz XGKKRXQIQVJZOA-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000274454674 176147382 /nfs/dbraw/zinc/14/73/82/176147382.db2.gz TVIUKWZEOGZJBF-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c[nH]nn2)CC1(C)C ZINC000336264083 176177523 /nfs/dbraw/zinc/17/75/23/176177523.db2.gz OOAPSQDXIUOUEA-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)CC1(C)C ZINC000336264083 176177524 /nfs/dbraw/zinc/17/75/24/176177524.db2.gz OOAPSQDXIUOUEA-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnn[nH]2)CC1(C)C ZINC000336264083 176177525 /nfs/dbraw/zinc/17/75/25/176177525.db2.gz OOAPSQDXIUOUEA-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)CC1(C)C ZINC000336264083 176177526 /nfs/dbraw/zinc/17/75/26/176177526.db2.gz OOAPSQDXIUOUEA-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)CC1(C)C ZINC000336264083 176177527 /nfs/dbraw/zinc/17/75/27/176177527.db2.gz OOAPSQDXIUOUEA-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)CC1(C)C ZINC000336264083 176177528 /nfs/dbraw/zinc/17/75/28/176177528.db2.gz OOAPSQDXIUOUEA-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H]1CO ZINC000248885734 176182290 /nfs/dbraw/zinc/18/22/90/176182290.db2.gz DXVNDNPPYFRQAP-SKDRFNHKSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000123462176 176200001 /nfs/dbraw/zinc/20/00/01/176200001.db2.gz IZVXFFBVBHSWJR-NXEZZACHSA-N 1 2 246.314 1.395 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000332325185 176211087 /nfs/dbraw/zinc/21/10/87/176211087.db2.gz OLMSTWJHHPZHSS-GHMZBOCLSA-N 1 2 236.319 1.371 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000309182256 176218208 /nfs/dbraw/zinc/21/82/08/176218208.db2.gz FTOJRUWOZIWCCS-APPZFPTMSA-N 1 2 217.276 1.574 20 0 BDADLO C[C@@H]1CC[C@H](CCC(=O)NCc2c[nH+]c[nH]2)O1 ZINC000332350952 176222777 /nfs/dbraw/zinc/22/27/77/176222777.db2.gz VKVBFYJFNAYKRJ-MWLCHTKSSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@@H]1CC[C@H](CCC(=O)NCc2c[nH]c[nH+]2)O1 ZINC000332350952 176222778 /nfs/dbraw/zinc/22/27/78/176222778.db2.gz VKVBFYJFNAYKRJ-MWLCHTKSSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000276556381 176246098 /nfs/dbraw/zinc/24/60/98/176246098.db2.gz LBALZFOPZKIPKZ-PHIMTYICSA-N 1 2 235.331 1.467 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3nsnc32)CCO1 ZINC000268906500 176305537 /nfs/dbraw/zinc/30/55/37/176305537.db2.gz RRUVVERMVZSVQI-SECBINFHSA-N 1 2 249.339 1.912 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3nsnc32)CCO1 ZINC000268906500 176305539 /nfs/dbraw/zinc/30/55/39/176305539.db2.gz RRUVVERMVZSVQI-SECBINFHSA-N 1 2 249.339 1.912 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3cnccn23)[C@H](C)CO1 ZINC000092017363 176310097 /nfs/dbraw/zinc/31/00/97/176310097.db2.gz XTEHZKOXFVUOQL-GHMZBOCLSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)[C@H](C)CO1 ZINC000092017363 176310098 /nfs/dbraw/zinc/31/00/98/176310098.db2.gz XTEHZKOXFVUOQL-GHMZBOCLSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@@H]1CO ZINC000362071243 176313379 /nfs/dbraw/zinc/31/33/79/176313379.db2.gz IGITULMSSUKZHB-PSASIEDQSA-N 1 2 237.303 1.007 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@@H]1CO ZINC000362071243 176313380 /nfs/dbraw/zinc/31/33/80/176313380.db2.gz IGITULMSSUKZHB-PSASIEDQSA-N 1 2 237.303 1.007 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299235510 176316529 /nfs/dbraw/zinc/31/65/29/176316529.db2.gz SENGZJRYOAZXFF-WZRBSPASSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299235510 176316531 /nfs/dbraw/zinc/31/65/31/176316531.db2.gz SENGZJRYOAZXFF-WZRBSPASSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1O ZINC000351499987 176319068 /nfs/dbraw/zinc/31/90/68/176319068.db2.gz FBJGXIFTJIKORH-VXNVDRBHSA-N 1 2 246.232 1.917 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNc1ccccn1 ZINC000309776998 176335964 /nfs/dbraw/zinc/33/59/64/176335964.db2.gz LWSPCBWDKYPCPU-LLVKDONJSA-N 1 2 221.304 1.214 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNc1ccccn1 ZINC000309776998 176335966 /nfs/dbraw/zinc/33/59/66/176335966.db2.gz LWSPCBWDKYPCPU-LLVKDONJSA-N 1 2 221.304 1.214 20 0 BDADLO C[C@@H]1COCCN1c1[nH+]c2ccccc2n1C ZINC000270565742 176337118 /nfs/dbraw/zinc/33/71/18/176337118.db2.gz LLATUZFOTICKNR-SNVBAGLBSA-N 1 2 231.299 1.798 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374349518 176385845 /nfs/dbraw/zinc/38/58/45/176385845.db2.gz ZKFNSOLUFAAUSJ-WXHSDQCUSA-N 1 2 245.326 1.211 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000355208582 176389677 /nfs/dbraw/zinc/38/96/77/176389677.db2.gz URWWNQDNWMLLTN-IJLUTSLNSA-N 1 2 247.342 1.923 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279175654 176393066 /nfs/dbraw/zinc/39/30/66/176393066.db2.gz JROYZDJFOYJRME-RKDXNWHRSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1[nH+]cnc(-n2cccn2)c1N ZINC000277047366 176398943 /nfs/dbraw/zinc/39/89/43/176398943.db2.gz GNVOWRMAJIASSO-RKDXNWHRSA-N 1 2 244.302 1.312 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnnn1C ZINC000356028524 177033942 /nfs/dbraw/zinc/03/39/42/177033942.db2.gz JHSRJCPATJOCPY-SECBINFHSA-N 1 2 249.293 1.542 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnnn1C ZINC000356028524 177033944 /nfs/dbraw/zinc/03/39/44/177033944.db2.gz JHSRJCPATJOCPY-SECBINFHSA-N 1 2 249.293 1.542 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)Cc1cnnn1C ZINC000272815715 177042288 /nfs/dbraw/zinc/04/22/88/177042288.db2.gz NYKNXHCOSZTMQQ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cnnn1C ZINC000272815715 177042290 /nfs/dbraw/zinc/04/22/90/177042290.db2.gz NYKNXHCOSZTMQQ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+](C)Cc1ccccc1 ZINC000188664112 177055670 /nfs/dbraw/zinc/05/56/70/177055670.db2.gz GIBIBDDBVULKBP-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+](C)Cc1ccccc1 ZINC000188664112 177055673 /nfs/dbraw/zinc/05/56/73/177055673.db2.gz GIBIBDDBVULKBP-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000266169481 177073256 /nfs/dbraw/zinc/07/32/56/177073256.db2.gz DYYJKKGIRVXUAB-JTQLQIEISA-N 1 2 207.277 1.284 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000276567180 177091845 /nfs/dbraw/zinc/09/18/45/177091845.db2.gz KTTXWVYMIAGGRA-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO C[C@H]1CCC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000071208429 177126515 /nfs/dbraw/zinc/12/65/15/177126515.db2.gz VHQQGLPRKOIETH-WPRPVWTQSA-N 1 2 231.303 1.964 20 0 BDADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000267766540 177146965 /nfs/dbraw/zinc/14/69/65/177146965.db2.gz SGEATFUARYCXFI-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccnc2)CC[S@]1=O ZINC000277227363 177165569 /nfs/dbraw/zinc/16/55/69/177165569.db2.gz OLGSRRLNGMTCOE-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccnc2)CC[S@]1=O ZINC000277227363 177165570 /nfs/dbraw/zinc/16/55/70/177165570.db2.gz OLGSRRLNGMTCOE-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccn2C(F)F)[C@H]1CO ZINC000249003485 177169170 /nfs/dbraw/zinc/16/91/70/177169170.db2.gz ZENVYSYNUOPGCZ-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccn2C(F)F)[C@H]1CO ZINC000249003485 177169172 /nfs/dbraw/zinc/16/91/72/177169172.db2.gz ZENVYSYNUOPGCZ-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287907993 177184402 /nfs/dbraw/zinc/18/44/02/177184402.db2.gz FVCMHTOCGOYWRU-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccon2)O1 ZINC000276539484 177188858 /nfs/dbraw/zinc/18/88/58/177188858.db2.gz YWIWYRIRKTVOLI-ONGXEEELSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccon2)O1 ZINC000276539484 177188860 /nfs/dbraw/zinc/18/88/60/177188860.db2.gz YWIWYRIRKTVOLI-ONGXEEELSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000294187906 177215663 /nfs/dbraw/zinc/21/56/63/177215663.db2.gz QEXCSNGFMNIKSD-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H]1C[N@H+](CCN2Cc3ccccc3C2)CCO1 ZINC000189929354 177253147 /nfs/dbraw/zinc/25/31/47/177253147.db2.gz UOPBUJWGZQSSSW-ZDUSSCGKSA-N 1 2 246.354 1.723 20 0 BDADLO C[C@H]1C[N@@H+](CCN2Cc3ccccc3C2)CCO1 ZINC000189929354 177253148 /nfs/dbraw/zinc/25/31/48/177253148.db2.gz UOPBUJWGZQSSSW-ZDUSSCGKSA-N 1 2 246.354 1.723 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2F)CC(=O)N1C ZINC000282401195 177265832 /nfs/dbraw/zinc/26/58/32/177265832.db2.gz XWZMPLUXXCAJOX-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2F)CC(=O)N1C ZINC000282401195 177265834 /nfs/dbraw/zinc/26/58/34/177265834.db2.gz XWZMPLUXXCAJOX-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccn2C)CC[S@](=O)C1 ZINC000277373598 177266171 /nfs/dbraw/zinc/26/61/71/177266171.db2.gz FWVRKITZXQDBHU-ZBEGNZNMSA-N 1 2 240.372 1.226 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccn2C)CC[S@](=O)C1 ZINC000277373598 177266172 /nfs/dbraw/zinc/26/61/72/177266172.db2.gz FWVRKITZXQDBHU-ZBEGNZNMSA-N 1 2 240.372 1.226 20 0 BDADLO C[C@H]1C[NH+](Cc2cn3cccnc3n2)C[C@H](C)O1 ZINC000123841628 177269437 /nfs/dbraw/zinc/26/94/37/177269437.db2.gz JGTOHDHKKFHBSC-QWRGUYRKSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc2cnccn12 ZINC000092017366 177269449 /nfs/dbraw/zinc/26/94/49/177269449.db2.gz XTEHZKOXFVUOQL-MNOVXSKESA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc2cnccn12 ZINC000092017366 177269450 /nfs/dbraw/zinc/26/94/50/177269450.db2.gz XTEHZKOXFVUOQL-MNOVXSKESA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016333482 177273559 /nfs/dbraw/zinc/27/35/59/177273559.db2.gz GISJHTYVGWNIBU-AXFHLTTASA-N 1 2 242.363 1.399 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016333482 177273560 /nfs/dbraw/zinc/27/35/60/177273560.db2.gz GISJHTYVGWNIBU-AXFHLTTASA-N 1 2 242.363 1.399 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCCO1 ZINC000334055494 177275821 /nfs/dbraw/zinc/27/58/21/177275821.db2.gz UWDDXWJJRLKXML-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCCO1 ZINC000334055494 177275823 /nfs/dbraw/zinc/27/58/23/177275823.db2.gz UWDDXWJJRLKXML-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1CO ZINC000357674326 177277445 /nfs/dbraw/zinc/27/74/45/177277445.db2.gz NFSJJDZUIDPPER-GXSJLCMTSA-N 1 2 233.315 1.419 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000351500868 177277864 /nfs/dbraw/zinc/27/78/64/177277864.db2.gz GQHWIFRHRXZTIA-GZMMTYOYSA-N 1 2 217.272 1.380 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000336629498 177289318 /nfs/dbraw/zinc/28/93/18/177289318.db2.gz BNZNVFKPABKSEM-SECBINFHSA-N 1 2 245.273 1.747 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000336629498 177289319 /nfs/dbraw/zinc/28/93/19/177289319.db2.gz BNZNVFKPABKSEM-SECBINFHSA-N 1 2 245.273 1.747 20 0 BDADLO C[C@H]1COCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000264006367 177290662 /nfs/dbraw/zinc/29/06/62/177290662.db2.gz MXYBUWREULGUKA-JTQLQIEISA-N 1 2 245.282 1.195 20 0 BDADLO C[C@H]1COCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000286995611 177293510 /nfs/dbraw/zinc/29/35/10/177293510.db2.gz UJZCIDVIAZZYDT-ZROCKMJXSA-N 1 2 249.314 1.212 20 0 BDADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H](C)C1 ZINC000331700922 177310322 /nfs/dbraw/zinc/31/03/22/177310322.db2.gz ZLGQRPGZTMPVFL-IUCAKERBSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H](C)C1 ZINC000331700922 177310323 /nfs/dbraw/zinc/31/03/23/177310323.db2.gz ZLGQRPGZTMPVFL-IUCAKERBSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)CCn1cc[nH+]c1 ZINC000336411342 177319816 /nfs/dbraw/zinc/31/98/16/177319816.db2.gz VFSKYHUWVMWHQK-AOOOYVTPSA-N 1 2 207.277 1.283 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354989449 177342593 /nfs/dbraw/zinc/34/25/93/177342593.db2.gz ZGRCVQNLTRIEGY-CMPLNLGQSA-N 1 2 243.310 1.997 20 0 BDADLO C[C@H]1C[C@H](C)[N@H+](CC(=O)Nc2nncs2)C1 ZINC000354211642 177359941 /nfs/dbraw/zinc/35/99/41/177359941.db2.gz XHYYVQZCQFRVCZ-YUMQZZPRSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000354211642 177359943 /nfs/dbraw/zinc/35/99/43/177359943.db2.gz XHYYVQZCQFRVCZ-YUMQZZPRSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[C@@H]1C ZINC000352507287 177378339 /nfs/dbraw/zinc/37/83/39/177378339.db2.gz ORVTZXRPNONEOW-AXFHLTTASA-N 1 2 221.304 1.434 20 0 BDADLO C[C@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000263953102 177383900 /nfs/dbraw/zinc/38/39/00/177383900.db2.gz YKJPKNCUVOEQJW-GXSJLCMTSA-N 1 2 248.330 1.355 20 0 BDADLO C[C@]1(C(=O)NCCNc2cccc[nH+]2)CCCO1 ZINC000268052887 177454897 /nfs/dbraw/zinc/45/48/97/177454897.db2.gz QIZBZZFZVJCLOM-CYBMUJFWSA-N 1 2 249.314 1.179 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCCCO1 ZINC000268048356 177530456 /nfs/dbraw/zinc/53/04/56/177530456.db2.gz UCUILOQVULUQHM-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCOC(C)C ZINC000267191989 177530527 /nfs/dbraw/zinc/53/05/27/177530527.db2.gz KETSDYDYIRLFFT-UHFFFAOYSA-N 1 2 225.292 1.149 20 0 BDADLO Cc1cnc(NC(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000666225258 487640888 /nfs/dbraw/zinc/64/08/88/487640888.db2.gz CTKBOZQMTALVJF-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO Cc1cnc(NC(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000666225258 487640890 /nfs/dbraw/zinc/64/08/90/487640890.db2.gz CTKBOZQMTALVJF-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000678044206 487642638 /nfs/dbraw/zinc/64/26/38/487642638.db2.gz NMFIPWUXKHHRJK-XHNCKOQMSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000678044206 487642641 /nfs/dbraw/zinc/64/26/41/487642641.db2.gz NMFIPWUXKHHRJK-XHNCKOQMSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668320862 487646252 /nfs/dbraw/zinc/64/62/52/487646252.db2.gz IYKJJXKIYPMJQV-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668320862 487646257 /nfs/dbraw/zinc/64/62/57/487646257.db2.gz IYKJJXKIYPMJQV-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCOC1 ZINC000492767161 226049119 /nfs/dbraw/zinc/04/91/19/226049119.db2.gz NMZBQKGITLWAQP-MVZIDQBPSA-N 1 2 235.287 1.108 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCSC1 ZINC000492774910 226050782 /nfs/dbraw/zinc/05/07/82/226050782.db2.gz XHHSJEGKEJWYGM-JKERVTFKSA-N 1 2 237.328 1.292 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@H]21 ZINC000492814169 226058753 /nfs/dbraw/zinc/05/87/53/226058753.db2.gz SVPXRDYYHXXAKW-ALWPCLGOSA-N 1 2 217.272 1.434 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(F)(F)C1 ZINC000492815807 226060074 /nfs/dbraw/zinc/06/00/74/226060074.db2.gz YHUJISFGVAFCNQ-OWOJBTEDSA-N 1 2 227.214 1.291 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCC1CC1 ZINC000492866109 226069811 /nfs/dbraw/zinc/06/98/11/226069811.db2.gz PPUGASJAJLKGBB-AATRIKPKSA-N 1 2 219.288 1.729 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@@H]2CCC[C@H]21 ZINC000492871265 226071800 /nfs/dbraw/zinc/07/18/00/226071800.db2.gz XBNNRJCSFDTZBK-XLMCQVRKSA-N 1 2 247.298 1.203 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493287856 226176387 /nfs/dbraw/zinc/17/63/87/226176387.db2.gz MSPGSNSFJLZZGR-ANDSXOESSA-N 1 2 233.315 1.927 20 0 BDADLO COC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000493345907 226192088 /nfs/dbraw/zinc/19/20/88/226192088.db2.gz AIUKAGXQKJQKEB-WYGGZMRJSA-N 1 2 237.303 1.210 20 0 BDADLO COCC[C@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493070244 226117635 /nfs/dbraw/zinc/11/76/35/226117635.db2.gz KZMAOONZPPIJQO-FSIBCCDJSA-N 1 2 237.303 1.212 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H](CO)CC1 ZINC000493116056 226131263 /nfs/dbraw/zinc/13/12/63/226131263.db2.gz JFAFADCCOQPBHW-BYCRGOAPSA-N 1 2 249.314 1.044 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1CCC1 ZINC000493196671 226152709 /nfs/dbraw/zinc/15/27/09/226152709.db2.gz XJVTXRAYHDPGNU-SNAWJCMRSA-N 1 2 205.261 1.339 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccnc1 ZINC000493222153 226159404 /nfs/dbraw/zinc/15/94/04/226159404.db2.gz JZLLUPOFGDOFOC-ONEGZZNKSA-N 1 2 214.228 1.457 20 0 BDADLO COC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000493345906 226191760 /nfs/dbraw/zinc/19/17/60/226191760.db2.gz AIUKAGXQKJQKEB-SGUJLRQBSA-N 1 2 237.303 1.210 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CC=CCC1 ZINC000493436630 226217095 /nfs/dbraw/zinc/21/70/95/226217095.db2.gz WLYONFLXYUDFAY-XUIVZRPNSA-N 1 2 231.299 1.895 20 0 BDADLO C[C@H]1COC(C)(C)CN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493470697 226225126 /nfs/dbraw/zinc/22/51/26/226225126.db2.gz ZZLUNWWLKASXMD-LWTINBJPSA-N 1 2 249.314 1.449 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCC1 ZINC000493501038 226234655 /nfs/dbraw/zinc/23/46/55/226234655.db2.gz TWTLYXSHYDEIIM-VOTSOKGWSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493514388 226236766 /nfs/dbraw/zinc/23/67/66/226236766.db2.gz HNWRECJFPIKFEL-WTSWQZHKSA-N 1 2 205.261 1.432 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC2(C1)CCCC2 ZINC000493579810 226244296 /nfs/dbraw/zinc/24/42/96/226244296.db2.gz BKYHIZRDRSPDOC-ONEGZZNKSA-N 1 2 231.299 1.826 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCOC[C@@H]1C1CC1 ZINC000493639324 226247125 /nfs/dbraw/zinc/24/71/25/226247125.db2.gz CXNWFMYLCPZJIH-DLRQAJBASA-N 1 2 247.298 1.060 20 0 BDADLO O=C(/C=C\C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000493646981 226247303 /nfs/dbraw/zinc/24/73/03/226247303.db2.gz QRBXVGHAMXKOIE-ARJAWSKDSA-N 1 2 217.272 1.233 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCO[C@@H]2CCC[C@H]21 ZINC000493662570 226248243 /nfs/dbraw/zinc/24/82/43/226248243.db2.gz PQIRCEQCAHQXMI-WQMVXFAESA-N 1 2 247.298 1.203 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000493662568 226248251 /nfs/dbraw/zinc/24/82/51/226248251.db2.gz PQIRCEQCAHQXMI-NRFYAWERSA-N 1 2 247.298 1.203 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCS1 ZINC000493672821 226248700 /nfs/dbraw/zinc/24/87/00/226248700.db2.gz IXEIQNIETYANKC-CDAZIORVSA-N 1 2 237.328 1.435 20 0 BDADLO Cc1csc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493678627 226248946 /nfs/dbraw/zinc/24/89/46/226248946.db2.gz VYKURRWFAQEMFO-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO Cc1nn(C)c(NC(=O)/C=C\c2[nH]cc[nH+]2)c1C ZINC000493712603 226250543 /nfs/dbraw/zinc/25/05/43/226250543.db2.gz FWBGUXGAYDWGPO-PLNGDYQASA-N 1 2 245.286 1.412 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCCO1 ZINC000493740397 226251837 /nfs/dbraw/zinc/25/18/37/226251837.db2.gz NSADXESLKNFXAO-YEZKRMTDSA-N 1 2 235.287 1.108 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc[nH]1 ZINC000493789737 226254101 /nfs/dbraw/zinc/25/41/01/226254101.db2.gz XLVPBSBLERPRMK-ARJAWSKDSA-N 1 2 216.244 1.067 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1CF ZINC000493810640 226255082 /nfs/dbraw/zinc/25/50/82/226255082.db2.gz AOWAKVVHEUNBCW-XOULXFPDSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCOC(F)(F)F ZINC000493870419 226258476 /nfs/dbraw/zinc/25/84/76/226258476.db2.gz NDNNXYCTVLLWEP-OWOJBTEDSA-N 1 2 249.192 1.076 20 0 BDADLO CN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000494201012 226261911 /nfs/dbraw/zinc/26/19/11/226261911.db2.gz IYDDWFNKLJLWAY-SNVBAGLBSA-N 1 2 236.319 1.323 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000494449531 226265515 /nfs/dbraw/zinc/26/55/15/226265515.db2.gz BKFMQNPHSNCEJC-JTQLQIEISA-N 1 2 236.271 1.224 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000494449531 226265516 /nfs/dbraw/zinc/26/55/16/226265516.db2.gz BKFMQNPHSNCEJC-JTQLQIEISA-N 1 2 236.271 1.224 20 0 BDADLO Cc1cc(NCC2([C@@H](O)C(C)C)CC2)nc[nH+]1 ZINC000678830837 487659704 /nfs/dbraw/zinc/65/97/04/487659704.db2.gz ZNTOHJCKCQQFBE-LBPRGKRZSA-N 1 2 235.331 1.994 20 0 BDADLO Cc1ccc(CC(=O)NCCn2cc[nH+]c2)s1 ZINC000057042067 322936990 /nfs/dbraw/zinc/93/69/90/322936990.db2.gz XSUCCVWXOQEMQF-UHFFFAOYSA-N 1 2 249.339 1.612 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000308379337 229230560 /nfs/dbraw/zinc/23/05/60/229230560.db2.gz VJCKKVFWTJYERI-GHMZBOCLSA-N 1 2 221.304 1.457 20 0 BDADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)C1CC1 ZINC000557715442 322941479 /nfs/dbraw/zinc/94/14/79/322941479.db2.gz SNYIRWURAXZLDZ-UHFFFAOYSA-N 1 2 242.282 1.675 20 0 BDADLO Cc1cc(N[C@H]2CCc3c[nH]nc3C2)nc[nH+]1 ZINC000675158839 487676217 /nfs/dbraw/zinc/67/62/17/487676217.db2.gz QFVOCCWENMYBAN-JTQLQIEISA-N 1 2 229.287 1.478 20 0 BDADLO C[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)[C@H]1C ZINC000278395284 487683408 /nfs/dbraw/zinc/68/34/08/487683408.db2.gz MMPDNBMEGMVSPI-SFYZADRCSA-N 1 2 246.318 1.180 20 0 BDADLO CCOCCN(C)c1cc(CO)cc[nH+]1 ZINC000087978699 487694547 /nfs/dbraw/zinc/69/45/47/487694547.db2.gz VCAVSVNNFPTTEJ-UHFFFAOYSA-N 1 2 210.277 1.047 20 0 BDADLO COC[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000280112675 487697615 /nfs/dbraw/zinc/69/76/15/487697615.db2.gz BZJAOADXCQUDNZ-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cc(C)c(CNc2ncc(F)cn2)c[nH+]1 ZINC000397011166 262830733 /nfs/dbraw/zinc/83/07/33/262830733.db2.gz NFLCGLVSHKXXLA-UHFFFAOYSA-N 1 2 232.262 1.662 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCC12CC2 ZINC000528742110 262968917 /nfs/dbraw/zinc/96/89/17/262968917.db2.gz RUVKCCSERRXLGB-JTQLQIEISA-N 1 2 233.315 1.915 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)CS1 ZINC000228648143 487699943 /nfs/dbraw/zinc/69/99/43/487699943.db2.gz TXQBYRLSMMDWKI-NKWVEPMBSA-N 1 2 211.277 1.098 20 0 BDADLO Cc1noc([C@@H](C)[NH+]2CCC(C)(O)CC2)n1 ZINC000675314049 487701289 /nfs/dbraw/zinc/70/12/89/487701289.db2.gz IAONYUAJFBNUIW-MRVPVSSYSA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671714581 487703766 /nfs/dbraw/zinc/70/37/66/487703766.db2.gz YXICZUJQYDYHPI-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671714581 487703769 /nfs/dbraw/zinc/70/37/69/487703769.db2.gz YXICZUJQYDYHPI-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](C)CO)o1 ZINC000120993581 490072298 /nfs/dbraw/zinc/07/22/98/490072298.db2.gz KRDIOGYHTGBRPO-ZYHUDNBSSA-N 1 2 239.315 1.590 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](C)CO)o1 ZINC000120993581 490072302 /nfs/dbraw/zinc/07/23/02/490072302.db2.gz KRDIOGYHTGBRPO-ZYHUDNBSSA-N 1 2 239.315 1.590 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncc[nH]2)nc1 ZINC000088135468 487706396 /nfs/dbraw/zinc/70/63/96/487706396.db2.gz NYEHPQPJWQTWJI-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CCCC2 ZINC000353956566 487710094 /nfs/dbraw/zinc/71/00/94/487710094.db2.gz VBHFNADGUHIEMS-NWDGAFQWSA-N 1 2 247.342 1.968 20 0 BDADLO Cc1cnc(C[N@@H+](C)C2(CO)CC2)s1 ZINC000671727599 487711387 /nfs/dbraw/zinc/71/13/87/487711387.db2.gz VMCBTOWBOBPACH-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1cnc(C[N@H+](C)C2(CO)CC2)s1 ZINC000671727599 487711390 /nfs/dbraw/zinc/71/13/90/487711390.db2.gz VMCBTOWBOBPACH-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO CC1(C)CN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000683921940 487714958 /nfs/dbraw/zinc/71/49/58/487714958.db2.gz MKWUUWXOBVDJGA-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631187994 487719947 /nfs/dbraw/zinc/71/99/47/487719947.db2.gz DJPGIEXTGLZEGN-SRSLHRDFSA-N 1 2 237.307 1.130 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631187994 487719948 /nfs/dbraw/zinc/71/99/48/487719948.db2.gz DJPGIEXTGLZEGN-SRSLHRDFSA-N 1 2 237.307 1.130 20 0 BDADLO CCCn1nccc1C(=O)Nc1cc[nH+]cc1C ZINC000668420209 487723258 /nfs/dbraw/zinc/72/32/58/487723258.db2.gz XUXDLIMSOZAVFQ-UHFFFAOYSA-N 1 2 244.298 1.671 20 0 BDADLO CC[N@H+]1CCN(C[C@H](O)C(C)C)C[C@H]1C ZINC000250356872 487730861 /nfs/dbraw/zinc/73/08/61/487730861.db2.gz SLBHAEBFNUIHLB-NEPJUHHUSA-N 1 2 214.353 1.029 20 0 BDADLO CC(C)[C@H]1CCCN1c1nc[nH+]c2c1OCCN2 ZINC000665694758 487732844 /nfs/dbraw/zinc/73/28/44/487732844.db2.gz KEJJKRJETIRPPT-SNVBAGLBSA-N 1 2 248.330 1.906 20 0 BDADLO CC(C)[C@H]1CCCN1c1[nH+]cnc2c1OCCN2 ZINC000665694758 487732850 /nfs/dbraw/zinc/73/28/50/487732850.db2.gz KEJJKRJETIRPPT-SNVBAGLBSA-N 1 2 248.330 1.906 20 0 BDADLO CCC[C@@H]1C[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665704181 487734722 /nfs/dbraw/zinc/73/47/22/487734722.db2.gz FVSHLEFKQQVBBM-BDAKNGLRSA-N 1 2 234.303 1.881 20 0 BDADLO CCC[C@@H]1C[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665704181 487734730 /nfs/dbraw/zinc/73/47/30/487734730.db2.gz FVSHLEFKQQVBBM-BDAKNGLRSA-N 1 2 234.303 1.881 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665720286 487734802 /nfs/dbraw/zinc/73/48/02/487734802.db2.gz XDYGUWDEDUHIQL-HTQZYQBOSA-N 1 2 238.291 1.116 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665720286 487734807 /nfs/dbraw/zinc/73/48/07/487734807.db2.gz XDYGUWDEDUHIQL-HTQZYQBOSA-N 1 2 238.291 1.116 20 0 BDADLO C[C@@H](O)CNc1cc(NC2CC=CC2)nc[nH+]1 ZINC000665706371 487736117 /nfs/dbraw/zinc/73/61/17/487736117.db2.gz CSSZWGIOLBDDLM-SECBINFHSA-N 1 2 234.303 1.400 20 0 BDADLO C[C@@H](O)CNc1cc(NC2CC=CC2)[nH+]cn1 ZINC000665706371 487736121 /nfs/dbraw/zinc/73/61/21/487736121.db2.gz CSSZWGIOLBDDLM-SECBINFHSA-N 1 2 234.303 1.400 20 0 BDADLO C[C@@H]1CC[C@H](C)N1c1nc[nH+]c2c1OCCN2 ZINC000665706243 487736255 /nfs/dbraw/zinc/73/62/55/487736255.db2.gz YIJVWKYKLXELOY-DTORHVGOSA-N 1 2 234.303 1.658 20 0 BDADLO C[C@@H]1CC[C@H](C)N1c1[nH+]cnc2c1OCCN2 ZINC000665706243 487736257 /nfs/dbraw/zinc/73/62/57/487736257.db2.gz YIJVWKYKLXELOY-DTORHVGOSA-N 1 2 234.303 1.658 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)[C@H]1C ZINC000665704735 487736698 /nfs/dbraw/zinc/73/66/98/487736698.db2.gz PHMWYERFGQMWLC-BDAKNGLRSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)[C@H]1C ZINC000665704735 487736706 /nfs/dbraw/zinc/73/67/06/487736706.db2.gz PHMWYERFGQMWLC-BDAKNGLRSA-N 1 2 234.303 1.516 20 0 BDADLO O[C@@H]1CC[C@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000665714155 487737273 /nfs/dbraw/zinc/73/72/73/487737273.db2.gz ARTJKVBTXZGAKM-GXSJLCMTSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@@H]1CC[C@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000665714155 487737274 /nfs/dbraw/zinc/73/72/74/487737274.db2.gz ARTJKVBTXZGAKM-GXSJLCMTSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H]1CC[C@@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000665714156 487737711 /nfs/dbraw/zinc/73/77/11/487737711.db2.gz ARTJKVBTXZGAKM-KOLCDFICSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H]1CC[C@@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000665714156 487737722 /nfs/dbraw/zinc/73/77/22/487737722.db2.gz ARTJKVBTXZGAKM-KOLCDFICSA-N 1 2 248.330 1.624 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nnnn2C2CC2)o1 ZINC000675476780 487738989 /nfs/dbraw/zinc/73/89/89/487738989.db2.gz VTUUTMZRWDPGIF-UHFFFAOYSA-N 1 2 247.302 1.453 20 0 BDADLO C[C@H]1C[C@@H](O)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000665722716 487739863 /nfs/dbraw/zinc/73/98/63/487739863.db2.gz IVNKYDZHHANIHC-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1C[C@@H](O)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000665722716 487739870 /nfs/dbraw/zinc/73/98/70/487739870.db2.gz IVNKYDZHHANIHC-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC(C)C)o1 ZINC000675552234 487747708 /nfs/dbraw/zinc/74/77/08/487747708.db2.gz AXIIELFNQGKKAG-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC(C)C)o1 ZINC000675552234 487747712 /nfs/dbraw/zinc/74/77/12/487747712.db2.gz AXIIELFNQGKKAG-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO C[C@@H](NC(=O)c1ncccc1O)c1[nH]cc[nH+]1 ZINC000139754129 487754755 /nfs/dbraw/zinc/75/47/55/487754755.db2.gz YVOVQDOLDFRABF-SSDOTTSWSA-N 1 2 232.243 1.001 20 0 BDADLO CCc1cc(NCc2ccncn2)nc[nH+]1 ZINC000234168142 487766257 /nfs/dbraw/zinc/76/62/57/487766257.db2.gz QJSVQMRBVDLOJO-UHFFFAOYSA-N 1 2 215.260 1.441 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668448278 487770678 /nfs/dbraw/zinc/77/06/78/487770678.db2.gz NAXHTXNRTJVLNZ-HBNTYKKESA-N 1 2 233.315 1.804 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448836 487771332 /nfs/dbraw/zinc/77/13/32/487771332.db2.gz WQUYDOGWKVXRPB-SNVBAGLBSA-N 1 2 247.298 1.840 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccco1 ZINC000385327851 487781214 /nfs/dbraw/zinc/78/12/14/487781214.db2.gz JWCFFASHLXBKMF-UHFFFAOYSA-N 1 2 219.244 1.426 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)c1ccc[nH]1 ZINC000681356276 487782692 /nfs/dbraw/zinc/78/26/92/487782692.db2.gz QKGOZQKAURBBNY-UHFFFAOYSA-N 1 2 230.271 1.150 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1ccn(C)n1 ZINC000681357324 487782969 /nfs/dbraw/zinc/78/29/69/487782969.db2.gz LDOQZBYEGNCOIH-UHFFFAOYSA-N 1 2 247.302 1.060 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356131 487782878 /nfs/dbraw/zinc/78/28/78/487782878.db2.gz KSTXSKSLXHWRGZ-WDEREUQCSA-N 1 2 247.342 1.800 20 0 BDADLO O=C(NCC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000137428048 487783390 /nfs/dbraw/zinc/78/33/90/487783390.db2.gz XTICQNVLFZGNFH-RKDXNWHRSA-N 1 2 205.261 1.039 20 0 BDADLO O=C(NCC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000137428048 487783396 /nfs/dbraw/zinc/78/33/96/487783396.db2.gz XTICQNVLFZGNFH-RKDXNWHRSA-N 1 2 205.261 1.039 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nnc(C)c(C)n1)CC2 ZINC000681394155 487791219 /nfs/dbraw/zinc/79/12/19/487791219.db2.gz MMSIBKWBVPPVHX-UHFFFAOYSA-N 1 2 244.302 1.014 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCCn1cc[nH+]c1 ZINC000666352946 487791917 /nfs/dbraw/zinc/79/19/17/487791917.db2.gz JLKGKJKGEOBBRK-LLVKDONJSA-N 1 2 247.298 1.471 20 0 BDADLO Cc1cc(C[NH+]2CC3(CC(F)C3)C2)nn1C ZINC000666391238 487794974 /nfs/dbraw/zinc/79/49/74/487794974.db2.gz ZYMXSLDXZVESMQ-UHFFFAOYSA-N 1 2 223.295 1.662 20 0 BDADLO CCn1ccnc1C[NH+]1CC(CCOC)C1 ZINC000668472333 487796476 /nfs/dbraw/zinc/79/64/76/487796476.db2.gz IOWFXIYUAJRGMD-UHFFFAOYSA-N 1 2 223.320 1.371 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000678271486 487799368 /nfs/dbraw/zinc/79/93/68/487799368.db2.gz UULPUWGEGJCIBR-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000678271486 487799371 /nfs/dbraw/zinc/79/93/71/487799371.db2.gz UULPUWGEGJCIBR-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC1(C)C ZINC000666449664 487811912 /nfs/dbraw/zinc/81/19/12/487811912.db2.gz HFDLLAIKHKZKJY-MNOVXSKESA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC2(CC2)C1 ZINC000666449573 487811836 /nfs/dbraw/zinc/81/18/36/487811836.db2.gz GGKWCHMJCRTRIM-JTQLQIEISA-N 1 2 233.315 1.578 20 0 BDADLO CC1(C)C[C@H]([NH2+]Cc2csnn2)CO1 ZINC000307579460 487817026 /nfs/dbraw/zinc/81/70/26/487817026.db2.gz VALWJOTYOSUMPC-ZETCQYMHSA-N 1 2 213.306 1.195 20 0 BDADLO Cc1ccoc1CN(C)C(=O)Cc1c[nH+]cn1C ZINC000557866578 322943733 /nfs/dbraw/zinc/94/37/33/322943733.db2.gz NNPZBPPMGQAUIY-UHFFFAOYSA-N 1 2 247.298 1.523 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](n3cncn3)C2)oc1C ZINC000681605758 487824655 /nfs/dbraw/zinc/82/46/55/487824655.db2.gz FUWGNUWXKPCHQX-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](n3cncn3)C2)oc1C ZINC000681605758 487824661 /nfs/dbraw/zinc/82/46/61/487824661.db2.gz FUWGNUWXKPCHQX-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1coc(C2CC2)n1 ZINC000681634633 487826467 /nfs/dbraw/zinc/82/64/67/487826467.db2.gz GWBGXGCPLYXZPU-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1coc(C2CC2)n1 ZINC000681634633 487826474 /nfs/dbraw/zinc/82/64/74/487826474.db2.gz GWBGXGCPLYXZPU-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H](C)C1(F)F ZINC000625652737 487835861 /nfs/dbraw/zinc/83/58/61/487835861.db2.gz GCHAYYGGKZANQC-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H](C)C1(F)F ZINC000625652737 487835866 /nfs/dbraw/zinc/83/58/66/487835866.db2.gz GCHAYYGGKZANQC-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000681699000 487842695 /nfs/dbraw/zinc/84/26/95/487842695.db2.gz QBNGSBKEILPZBM-QWHCGFSZSA-N 1 2 245.326 1.812 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)CC(C)(C)O ZINC000878033516 590475770 /nfs/dbraw/zinc/47/57/70/590475770.db2.gz XZODTRGRTWETGF-VIFPVBQESA-N 1 2 239.306 1.485 20 0 BDADLO CCc1cc(N[C@H](C(=O)NC)C(C)C)nc[nH+]1 ZINC000676412543 487849099 /nfs/dbraw/zinc/84/90/99/487849099.db2.gz OQLOFISKEXSYJA-NSHDSACASA-N 1 2 236.319 1.222 20 0 BDADLO CCc1cc(NCC2(C(=O)OC)CC2)nc[nH+]1 ZINC000614414662 487863524 /nfs/dbraw/zinc/86/35/24/487863524.db2.gz XLDHRWCNEZDSFJ-UHFFFAOYSA-N 1 2 235.287 1.404 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCc1c[nH+]cn1C ZINC000415717596 487864833 /nfs/dbraw/zinc/86/48/33/487864833.db2.gz YPADKYOWHCTGMM-LLVKDONJSA-N 1 2 239.319 1.097 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000049369162 641717601 /nfs/dbraw/zinc/71/76/01/641717601.db2.gz BOTSNXJEDDZFOF-JGVFFNPUSA-N 1 2 203.307 1.033 20 0 BDADLO CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000652758039 487891938 /nfs/dbraw/zinc/89/19/38/487891938.db2.gz GFQSKZYLJGAMMJ-WDEREUQCSA-N 1 2 235.331 1.824 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCOC[C@H]2C)o1 ZINC000676710948 487898709 /nfs/dbraw/zinc/89/87/09/487898709.db2.gz MZQANJJBUCDQIT-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCCOC[C@H]2C)o1 ZINC000676710948 487898712 /nfs/dbraw/zinc/89/87/12/487898712.db2.gz MZQANJJBUCDQIT-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000669041420 487909256 /nfs/dbraw/zinc/90/92/56/487909256.db2.gz DHRRJBUFUGMFEY-IJLUTSLNSA-N 1 2 249.358 1.932 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1 ZINC000157468266 487912744 /nfs/dbraw/zinc/91/27/44/487912744.db2.gz UKOLTXAMILTCJJ-GFCCVEGCSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1 ZINC000157468266 487912747 /nfs/dbraw/zinc/91/27/47/487912747.db2.gz UKOLTXAMILTCJJ-GFCCVEGCSA-N 1 2 225.263 1.019 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](CCCO)C1CC1 ZINC000682154735 487916967 /nfs/dbraw/zinc/91/69/67/487916967.db2.gz ADEBPNQTEQPRGA-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](CCCO)C1CC1 ZINC000682154735 487916972 /nfs/dbraw/zinc/91/69/72/487916972.db2.gz ADEBPNQTEQPRGA-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000669063911 487924755 /nfs/dbraw/zinc/92/47/55/487924755.db2.gz FPQHTMQUXHXANW-VWYCJHECSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000669063911 487924757 /nfs/dbraw/zinc/92/47/57/487924757.db2.gz FPQHTMQUXHXANW-VWYCJHECSA-N 1 2 247.342 1.772 20 0 BDADLO COc1cccc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000682168917 487924313 /nfs/dbraw/zinc/92/43/13/487924313.db2.gz LBDGMPFZUCASLQ-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO C[C@H]1C[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)CO1 ZINC000682202474 487926379 /nfs/dbraw/zinc/92/63/79/487926379.db2.gz NYBSVOIWOVONFA-UWVGGRQHSA-N 1 2 245.282 1.698 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667005318 487927992 /nfs/dbraw/zinc/92/79/92/487927992.db2.gz OKBDSNVELOZNJK-GZMMTYOYSA-N 1 2 233.315 1.429 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667005318 487927995 /nfs/dbraw/zinc/92/79/95/487927995.db2.gz OKBDSNVELOZNJK-GZMMTYOYSA-N 1 2 233.315 1.429 20 0 BDADLO c1[nH]nc2c1CC[N@H+](CCOCC1CC1)C2 ZINC000676795905 487932913 /nfs/dbraw/zinc/93/29/13/487932913.db2.gz SGMRYCYHMSNCLB-UHFFFAOYSA-N 1 2 221.304 1.194 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3c[nH]nc3C2)nn1C ZINC000676795775 487933055 /nfs/dbraw/zinc/93/30/55/487933055.db2.gz OUXGQTCHWRJIIW-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cc(C[N@H+]2CCc3c[nH]nc3C2)nn1C ZINC000676795775 487933061 /nfs/dbraw/zinc/93/30/61/487933061.db2.gz OUXGQTCHWRJIIW-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](CCOCC1CC1)C2 ZINC000676795905 487932900 /nfs/dbraw/zinc/93/29/00/487932900.db2.gz SGMRYCYHMSNCLB-UHFFFAOYSA-N 1 2 221.304 1.194 20 0 BDADLO c1n[nH]c2c1CC[N@H+](CCOCC1CC1)C2 ZINC000676795905 487932904 /nfs/dbraw/zinc/93/29/04/487932904.db2.gz SGMRYCYHMSNCLB-UHFFFAOYSA-N 1 2 221.304 1.194 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](CCOCC1CC1)C2 ZINC000676795905 487932909 /nfs/dbraw/zinc/93/29/09/487932909.db2.gz SGMRYCYHMSNCLB-UHFFFAOYSA-N 1 2 221.304 1.194 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)nn1 ZINC000669932888 487936288 /nfs/dbraw/zinc/93/62/88/487936288.db2.gz TYDGMOQYSSOVKR-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)nn1 ZINC000669932888 487936290 /nfs/dbraw/zinc/93/62/90/487936290.db2.gz TYDGMOQYSSOVKR-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO Cc1cncc(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000682368527 487941406 /nfs/dbraw/zinc/94/14/06/487941406.db2.gz VRGVVIXBJNGJRG-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO COc1ccc(N[C@H](C)c2cn[nH]c2)[nH+]c1 ZINC000229729988 487943347 /nfs/dbraw/zinc/94/33/47/487943347.db2.gz FAURWPIVHCBXRN-MRVPVSSYSA-N 1 2 218.260 1.986 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1(C(F)(F)F)CC1 ZINC000652397837 487944084 /nfs/dbraw/zinc/94/40/84/487944084.db2.gz WHRIOQIPQYKRQA-UHFFFAOYSA-N 1 2 233.193 1.094 20 0 BDADLO CCn1cc[nH+]c1CNc1cn(C)nc1OC ZINC000530546157 322845776 /nfs/dbraw/zinc/84/57/76/322845776.db2.gz KSGKCXDEWSRQFK-UHFFFAOYSA-N 1 2 235.291 1.257 20 0 BDADLO CC[C@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000560453792 322987432 /nfs/dbraw/zinc/98/74/32/322987432.db2.gz WXJLPUDFOSAPRQ-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO CCn1nc(C)c(NCc2[nH]cc[nH+]2)c1C ZINC000125279895 323000941 /nfs/dbraw/zinc/00/09/41/323000941.db2.gz TVDDFQUPMXQAPW-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO CCn1cc(CNc2ccc(N(C)C)c[nH+]2)cn1 ZINC000150895159 323002051 /nfs/dbraw/zinc/00/20/51/323002051.db2.gz VJHVMSHXTOILEN-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCc2ncsc2C1 ZINC000561954114 323009229 /nfs/dbraw/zinc/00/92/29/323009229.db2.gz BYYXPGTZHOLVSN-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO Oc1cccnc1C[N@H+]1CCc2ncsc2C1 ZINC000561954114 323009230 /nfs/dbraw/zinc/00/92/30/323009230.db2.gz BYYXPGTZHOLVSN-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO CCO[C@H]1C[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000564523216 323009347 /nfs/dbraw/zinc/00/93/47/323009347.db2.gz JEBBYVQBXCSMDV-MNOVXSKESA-N 1 2 235.287 1.111 20 0 BDADLO Cc1cnccc1C(=O)NCCc1c[nH+]cn1C ZINC000562307919 323015650 /nfs/dbraw/zinc/01/56/50/323015650.db2.gz CMPRPNPLBIZKPQ-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@@H](O)C2)c1C(F)(F)F ZINC000151454144 323016600 /nfs/dbraw/zinc/01/66/00/323016600.db2.gz JWRPMFYXYGBTDR-MRVPVSSYSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@@H](O)C2)c1C(F)(F)F ZINC000151454144 323016601 /nfs/dbraw/zinc/01/66/01/323016601.db2.gz JWRPMFYXYGBTDR-MRVPVSSYSA-N 1 2 249.236 1.006 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)CC1(CO)CC1 ZINC000562567147 323024694 /nfs/dbraw/zinc/02/46/94/323024694.db2.gz XOQUXBGJYJIQKB-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)CC1(CO)CC1 ZINC000562567147 323024695 /nfs/dbraw/zinc/02/46/95/323024695.db2.gz XOQUXBGJYJIQKB-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO CCC(C)(CC)NC(=O)Cn1cc[nH+]c1 ZINC000562819908 323031755 /nfs/dbraw/zinc/03/17/55/323031755.db2.gz HAJPEOWGMAFBFS-UHFFFAOYSA-N 1 2 209.293 1.578 20 0 BDADLO COc1cccc(C[C@H](C)Nc2c[nH]c[nH+]2)n1 ZINC000562913453 323033333 /nfs/dbraw/zinc/03/33/33/323033333.db2.gz YWEUITCDHHAJPR-VIFPVBQESA-N 1 2 232.287 1.856 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000569690717 323037067 /nfs/dbraw/zinc/03/70/67/323037067.db2.gz KCXMJKQLOKXLKE-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000569779236 323040346 /nfs/dbraw/zinc/04/03/46/323040346.db2.gz VPQVDXDBFUQOKZ-KOLCDFICSA-N 1 2 248.330 1.296 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000569779235 323040364 /nfs/dbraw/zinc/04/03/64/323040364.db2.gz VPQVDXDBFUQOKZ-GXSJLCMTSA-N 1 2 248.330 1.296 20 0 BDADLO CCn1nncc1CNc1[nH+]cccc1OC ZINC000569794047 323040799 /nfs/dbraw/zinc/04/07/99/323040799.db2.gz SPRSQKHBFCHQBA-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC=CCC1 ZINC000569867370 323043092 /nfs/dbraw/zinc/04/30/92/323043092.db2.gz HRMIGHPERGZBEY-MRVPVSSYSA-N 1 2 244.302 1.296 20 0 BDADLO CC(C)OC1CC[NH+](Cc2ncccn2)CC1 ZINC000569877507 323043560 /nfs/dbraw/zinc/04/35/60/323043560.db2.gz AMCIWMZITOBZSH-UHFFFAOYSA-N 1 2 235.331 1.866 20 0 BDADLO c1ncc(C[NH2+]Cc2noc3c2CCCC3)cn1 ZINC000569883076 323043588 /nfs/dbraw/zinc/04/35/88/323043588.db2.gz AFZCRGJNODLOOY-UHFFFAOYSA-N 1 2 244.298 1.633 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000570039228 323047975 /nfs/dbraw/zinc/04/79/75/323047975.db2.gz CAUSFTFJPLDWQS-ZDUSSCGKSA-N 1 2 248.326 1.593 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000570039228 323047976 /nfs/dbraw/zinc/04/79/76/323047976.db2.gz CAUSFTFJPLDWQS-ZDUSSCGKSA-N 1 2 248.326 1.593 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CC[C@](C)(F)C1 ZINC000570222192 323053331 /nfs/dbraw/zinc/05/33/31/323053331.db2.gz HZZANNSFJQZYNB-KCJUWKMLSA-N 1 2 224.283 1.384 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CC[C@](C)(F)C1 ZINC000570222192 323053332 /nfs/dbraw/zinc/05/33/32/323053332.db2.gz HZZANNSFJQZYNB-KCJUWKMLSA-N 1 2 224.283 1.384 20 0 BDADLO O=C(NC[C@H]1CC12CC2)N1CCn2c[nH+]cc2C1 ZINC000570265860 323054296 /nfs/dbraw/zinc/05/42/96/323054296.db2.gz GRRMYVQRUBOVIA-SNVBAGLBSA-N 1 2 246.314 1.208 20 0 BDADLO CC1(C)CCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000570331157 323056143 /nfs/dbraw/zinc/05/61/43/323056143.db2.gz JBZRXUDGOFIXTG-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO FC1(C[NH2+]Cc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000570477769 323060523 /nfs/dbraw/zinc/06/05/23/323060523.db2.gz DEUCMZVQTMZFRQ-UHFFFAOYSA-N 1 2 247.277 1.458 20 0 BDADLO COc1ccc[nH+]c1N1CCC(C)(O)CC1 ZINC000160312043 323064714 /nfs/dbraw/zinc/06/47/14/323064714.db2.gz XLJWWQNGOLHHRS-UHFFFAOYSA-N 1 2 222.288 1.441 20 0 BDADLO CC(C)SCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000570643884 323065846 /nfs/dbraw/zinc/06/58/46/323065846.db2.gz BOJFOALDDYCTHI-UHFFFAOYSA-N 1 2 244.404 1.586 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@@H](C)O)C1CCCCC1 ZINC000570683190 323067116 /nfs/dbraw/zinc/06/71/16/323067116.db2.gz JLEHPHVYOGYLJF-PWSUYJOCSA-N 1 2 243.347 1.469 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CO[C@H](C)C1)n1cc[nH+]c1 ZINC000570727902 323068867 /nfs/dbraw/zinc/06/88/67/323068867.db2.gz VNYWDBPYKPYZNU-AXFHLTTASA-N 1 2 237.303 1.128 20 0 BDADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)nc1 ZINC000570747879 323069318 /nfs/dbraw/zinc/06/93/18/323069318.db2.gz QALDZLXMCHRZFY-UHFFFAOYSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC12CC2 ZINC000570831922 323072069 /nfs/dbraw/zinc/07/20/69/323072069.db2.gz JWTCATIVHYVXEY-UWVGGRQHSA-N 1 2 234.303 1.123 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)c1ccon1)n1cc[nH+]c1 ZINC000570847891 323072519 /nfs/dbraw/zinc/07/25/19/323072519.db2.gz HYLWILDQGANVDP-ZJUUUORDSA-N 1 2 248.286 1.700 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000570891981 323073542 /nfs/dbraw/zinc/07/35/42/323073542.db2.gz FTUQPQXBPWBUDU-UWVGGRQHSA-N 1 2 219.288 1.313 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cscn1 ZINC000161150468 323075828 /nfs/dbraw/zinc/07/58/28/323075828.db2.gz DMOYRIUYKYHMPS-QMMMGPOBSA-N 1 2 241.360 1.708 20 0 BDADLO C[C@H](c1nnnn1C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000526055517 323079751 /nfs/dbraw/zinc/07/97/51/323079751.db2.gz SMUWCWWBXOKPNL-IWSPIJDZSA-N 1 2 241.364 1.097 20 0 BDADLO CC[C@@H]([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000308978352 323081698 /nfs/dbraw/zinc/08/16/98/323081698.db2.gz RKHIFXGVUCECAB-SECBINFHSA-N 1 2 217.309 1.343 20 0 BDADLO CCN1CN(CCc2cc[nH+]cc2C)CC1=O ZINC000563052038 323082849 /nfs/dbraw/zinc/08/28/49/323082849.db2.gz CTKUABHJWBXSPK-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO O=C(CC[C@@H]1CCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000531196480 323085047 /nfs/dbraw/zinc/08/50/47/323085047.db2.gz NTPQJRKNQZBRNP-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO CCC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOCC1 ZINC000493587607 323086873 /nfs/dbraw/zinc/08/68/73/323086873.db2.gz LPXOHMBFMJHEDN-ONEGZZNKSA-N 1 2 249.314 1.498 20 0 BDADLO COc1ccc[nH+]c1NCC(=O)N1CCCCC1 ZINC000228843248 323089926 /nfs/dbraw/zinc/08/99/26/323089926.db2.gz OBSDNXYCUCWQIH-UHFFFAOYSA-N 1 2 249.314 1.515 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223241913 323097322 /nfs/dbraw/zinc/09/73/22/323097322.db2.gz IXBGQZHXODKTED-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223241913 323097323 /nfs/dbraw/zinc/09/73/23/323097323.db2.gz IXBGQZHXODKTED-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO Cc1cc(NC[C@H]2CC[C@@H](C)O2)nc[nH+]1 ZINC000397897993 323100486 /nfs/dbraw/zinc/10/04/86/323100486.db2.gz AHBYBLLWEBLRCI-NXEZZACHSA-N 1 2 207.277 1.186 20 0 BDADLO CCCc1noc(C[N@H+](C)CC(C)(C)OC)n1 ZINC000531575462 323110284 /nfs/dbraw/zinc/11/02/84/323110284.db2.gz UHRRLSCTUGBOBQ-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC(C)(C)OC)n1 ZINC000531575462 323110285 /nfs/dbraw/zinc/11/02/85/323110285.db2.gz UHRRLSCTUGBOBQ-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO O=C(NCCCF)NCCCCn1cc[nH+]c1 ZINC000531753953 323112603 /nfs/dbraw/zinc/11/26/03/323112603.db2.gz OZXYAPCRJBIHQH-UHFFFAOYSA-N 1 2 242.298 1.322 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCCO2)c(C)c[nH+]1 ZINC000534299922 323115801 /nfs/dbraw/zinc/11/58/01/323115801.db2.gz MBARYXHUJADSPZ-LBPRGKRZSA-N 1 2 234.299 1.628 20 0 BDADLO Cc1nc(C)c(C(=O)Nc2cc(C)[nH+]cc2C)o1 ZINC000534299296 323115903 /nfs/dbraw/zinc/11/59/03/323115903.db2.gz RTUJESQBWSKFJB-UHFFFAOYSA-N 1 2 245.282 1.977 20 0 BDADLO COCC1(NC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000534325830 323116752 /nfs/dbraw/zinc/11/67/52/323116752.db2.gz OYCYKRIXYVLBQV-UHFFFAOYSA-N 1 2 235.287 1.112 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000682423753 487957226 /nfs/dbraw/zinc/95/72/26/487957226.db2.gz GRLBWWKJDQUKCG-FDYHWXHSSA-N 1 2 247.342 1.949 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(=O)[nH]c1 ZINC000563395870 323122648 /nfs/dbraw/zinc/12/26/48/323122648.db2.gz TYTUPTZFQPKAHI-QMMMGPOBSA-N 1 2 246.270 1.328 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(=O)[nH]c1 ZINC000563395870 323122649 /nfs/dbraw/zinc/12/26/49/323122649.db2.gz TYTUPTZFQPKAHI-QMMMGPOBSA-N 1 2 246.270 1.328 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@H](CF)C1 ZINC000563422681 323124218 /nfs/dbraw/zinc/12/42/18/323124218.db2.gz AESJAAUGRQBLSL-SNVBAGLBSA-N 1 2 225.267 1.268 20 0 BDADLO Cc1cc(CNc2nc(C)[nH+]cc2C)on1 ZINC000571130372 323136195 /nfs/dbraw/zinc/13/61/95/323136195.db2.gz NDOFTYUIJPOZTC-UHFFFAOYSA-N 1 2 218.260 1.424 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)[C@H]2CCC[C@@H]21 ZINC000571236844 323139136 /nfs/dbraw/zinc/13/91/36/323139136.db2.gz AZKMNXYBVCLXSP-RYUDHWBXSA-N 1 2 247.342 1.920 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC=CCC1 ZINC000571372957 323142885 /nfs/dbraw/zinc/14/28/85/323142885.db2.gz BCCZMPYCBJLYOW-SNVBAGLBSA-N 1 2 205.261 1.108 20 0 BDADLO CC(C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000571591404 323149038 /nfs/dbraw/zinc/14/90/38/323149038.db2.gz FSHUPRPSRLBVCG-GFCCVEGCSA-N 1 2 249.358 2.000 20 0 BDADLO CO[C@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000049105602 323157684 /nfs/dbraw/zinc/15/76/84/323157684.db2.gz WADOFDBQADEROG-SNVBAGLBSA-N 1 2 247.298 1.028 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCSC(C)(C)C1 ZINC000534842049 323161236 /nfs/dbraw/zinc/16/12/36/323161236.db2.gz LXPFJIYNRQPUPQ-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO Cn1cnnc1C[N@H+]1CCSC(C)(C)C1 ZINC000534842049 323161237 /nfs/dbraw/zinc/16/12/37/323161237.db2.gz LXPFJIYNRQPUPQ-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)nn1 ZINC000534868001 323161591 /nfs/dbraw/zinc/16/15/91/323161591.db2.gz DKTIHKICRVQSBB-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)nn1 ZINC000534868001 323161592 /nfs/dbraw/zinc/16/15/92/323161592.db2.gz DKTIHKICRVQSBB-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO CCCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049517515 323161824 /nfs/dbraw/zinc/16/18/24/323161824.db2.gz SZDVNSZTCDTZJS-JTQLQIEISA-N 1 2 224.308 1.323 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)Cc2ccccc2)no1 ZINC000563707712 323174624 /nfs/dbraw/zinc/17/46/24/323174624.db2.gz MLMFZWNAQWLAEI-GFCCVEGCSA-N 1 2 247.298 1.071 20 0 BDADLO C[C@H](CC(=O)N1CCC1(C)C)n1cc[nH+]c1 ZINC000563717173 323175405 /nfs/dbraw/zinc/17/54/05/323175405.db2.gz SMQOBWAYHVCECV-SNVBAGLBSA-N 1 2 221.304 1.845 20 0 BDADLO CC[N@@H+](Cc1cc(C)on1)C[C@H]1CCCO1 ZINC000051555238 323189777 /nfs/dbraw/zinc/18/97/77/323189777.db2.gz NQRJKSGSDPEGFL-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[N@H+](Cc1cc(C)on1)C[C@H]1CCCO1 ZINC000051555238 323189778 /nfs/dbraw/zinc/18/97/78/323189778.db2.gz NQRJKSGSDPEGFL-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO C[N@H+](Cc1ccc(CO)o1)Cc1cnccn1 ZINC000535826427 323192769 /nfs/dbraw/zinc/19/27/69/323192769.db2.gz GNZDUKUHAJLQNF-UHFFFAOYSA-N 1 2 233.271 1.194 20 0 BDADLO C[N@@H+](Cc1ccc(CO)o1)Cc1cnccn1 ZINC000535826427 323192770 /nfs/dbraw/zinc/19/27/70/323192770.db2.gz GNZDUKUHAJLQNF-UHFFFAOYSA-N 1 2 233.271 1.194 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCOC2)c(C)c[nH+]1 ZINC000536574530 323197899 /nfs/dbraw/zinc/19/78/99/323197899.db2.gz BGGJSUFEBLPDKB-NSHDSACASA-N 1 2 234.299 1.485 20 0 BDADLO Cc1cc(NC(=O)N2CCCC2)c(C)c[nH+]1 ZINC000536621715 323198513 /nfs/dbraw/zinc/19/85/13/323198513.db2.gz IRXBHYWODSBPDS-UHFFFAOYSA-N 1 2 219.288 1.748 20 0 BDADLO CCCOc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000536623068 323198661 /nfs/dbraw/zinc/19/86/61/323198661.db2.gz WBJAMBKJDZVJFB-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO CCCOc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000536623068 323198662 /nfs/dbraw/zinc/19/86/62/323198662.db2.gz WBJAMBKJDZVJFB-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C2CCC1CC2 ZINC000536621753 323198682 /nfs/dbraw/zinc/19/86/82/323198682.db2.gz YWUNVBLOXQHQOX-UHFFFAOYSA-N 1 2 231.299 1.971 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)C1 ZINC000563897379 323205567 /nfs/dbraw/zinc/20/55/67/323205567.db2.gz WKZQDOBMFYVMNK-VIFPVBQESA-N 1 2 207.277 1.067 20 0 BDADLO CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000042309329 323245830 /nfs/dbraw/zinc/24/58/30/323245830.db2.gz UDGJNIIEIIGBNY-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000042978266 323256211 /nfs/dbraw/zinc/25/62/11/323256211.db2.gz WMWNSKXPNIFBJL-SNVBAGLBSA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000042978266 323256215 /nfs/dbraw/zinc/25/62/15/323256215.db2.gz WMWNSKXPNIFBJL-SNVBAGLBSA-N 1 2 238.331 1.935 20 0 BDADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nnsc1Cl ZINC000309114902 323319116 /nfs/dbraw/zinc/31/91/16/323319116.db2.gz LBUPDKQZCQYBBA-RCOVLWMOSA-N 1 2 247.751 1.849 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000563954890 323334796 /nfs/dbraw/zinc/33/47/96/323334796.db2.gz MVBGERJJSWYEFY-GDPRMGEGSA-N 1 2 237.303 1.550 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000563954890 323334798 /nfs/dbraw/zinc/33/47/98/323334798.db2.gz MVBGERJJSWYEFY-GDPRMGEGSA-N 1 2 237.303 1.550 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC(C)C)ccn12 ZINC000571816645 323485468 /nfs/dbraw/zinc/48/54/68/323485468.db2.gz AHAPJXGZRRAJMC-UHFFFAOYSA-N 1 2 217.272 1.781 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(F)(F)C1 ZINC000572303474 323591248 /nfs/dbraw/zinc/59/12/48/323591248.db2.gz LCBWHOVRFFWXQT-UHFFFAOYSA-N 1 2 213.231 1.939 20 0 BDADLO COc1ccc[nH+]c1N1CCOC(C)(C)C1 ZINC000527846892 323705262 /nfs/dbraw/zinc/70/52/62/323705262.db2.gz NKLXUOQQJRRMQX-UHFFFAOYSA-N 1 2 222.288 1.705 20 0 BDADLO O=C(CC1CCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145840 487959777 /nfs/dbraw/zinc/95/97/77/487959777.db2.gz SYTWGVBYEITZEH-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO COc1ccc[nH+]c1NCc1noc(C2CC2)n1 ZINC000527942019 323722022 /nfs/dbraw/zinc/72/20/22/323722022.db2.gz ARBSGPXLSPLTRI-UHFFFAOYSA-N 1 2 246.270 1.963 20 0 BDADLO CC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000083890023 487960755 /nfs/dbraw/zinc/96/07/55/487960755.db2.gz DZHRMSBZQKYBBY-UHFFFAOYSA-N 1 2 209.211 1.850 20 0 BDADLO CC(C)c1nc(NCCc2cncnc2)cc[nH+]1 ZINC000528196800 323777122 /nfs/dbraw/zinc/77/71/22/323777122.db2.gz JJONBMGDBYUDLY-UHFFFAOYSA-N 1 2 243.314 1.467 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccncc2C)CC1 ZINC000528345436 323799264 /nfs/dbraw/zinc/79/92/64/323799264.db2.gz QOJLLTKQBXHVIM-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CN(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060526217 324039293 /nfs/dbraw/zinc/03/92/93/324039293.db2.gz DXIRWPHFEUCYTP-VMPITWQZSA-N 1 2 241.294 1.974 20 0 BDADLO Cn1cc(NCc2cccc3[nH+]ccn32)cn1 ZINC000537302473 324063732 /nfs/dbraw/zinc/06/37/32/324063732.db2.gz YPRFSAVLIKJOMC-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO COCc1noc(C[N@H+](C)CC(C)(C)OC)n1 ZINC000537517583 324076089 /nfs/dbraw/zinc/07/60/89/324076089.db2.gz PDJUZLKDQKVKTG-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO COCc1noc(C[N@@H+](C)CC(C)(C)OC)n1 ZINC000537517583 324076093 /nfs/dbraw/zinc/07/60/93/324076093.db2.gz PDJUZLKDQKVKTG-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO Cc1nscc1C(=O)Nc1cc[nH+]cc1O ZINC000537586518 324083471 /nfs/dbraw/zinc/08/34/71/324083471.db2.gz LZMDDHPMEUADRU-UHFFFAOYSA-N 1 2 235.268 1.226 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528394478 324220667 /nfs/dbraw/zinc/22/06/67/324220667.db2.gz IMNXHZNYWFEMFH-LLVKDONJSA-N 1 2 239.344 1.372 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528394478 324220672 /nfs/dbraw/zinc/22/06/72/324220672.db2.gz IMNXHZNYWFEMFH-LLVKDONJSA-N 1 2 239.344 1.372 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(F)cn2)on1 ZINC000529539791 324330657 /nfs/dbraw/zinc/33/06/57/324330657.db2.gz UJCFYRJTAUYLIP-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529579242 324350369 /nfs/dbraw/zinc/35/03/69/324350369.db2.gz QJFHOJZXSZMQLT-GRYCIOLGSA-N 1 2 247.342 1.895 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(F)cn2)C1 ZINC000529608574 324363533 /nfs/dbraw/zinc/36/35/33/324363533.db2.gz ODNVFQVCRQSLBX-UHFFFAOYSA-N 1 2 210.252 1.035 20 0 BDADLO Cc1[nH]c(C(=O)NCC2CC=CC2)c[nH+]1 ZINC000529710107 324383160 /nfs/dbraw/zinc/38/31/60/324383160.db2.gz DPCLHHIMBKMXHJ-UHFFFAOYSA-N 1 2 205.261 1.414 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1CC=CC1 ZINC000529713675 324387976 /nfs/dbraw/zinc/38/79/76/324387976.db2.gz YOABPXHVZQEWSU-UHFFFAOYSA-N 1 2 219.288 1.356 20 0 BDADLO O=C(Cc1ccc(O)cc1)NCCc1[nH]cc[nH+]1 ZINC000125283828 324637591 /nfs/dbraw/zinc/63/75/91/324637591.db2.gz OAYIKMQEPBTKSK-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO CC(C)(C)OCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538672825 324722105 /nfs/dbraw/zinc/72/21/05/324722105.db2.gz SKCYPCBOILGOER-UHFFFAOYSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cc(NC(=O)c2ccc(F)cn2)c(C)c[nH+]1 ZINC000541295325 324953971 /nfs/dbraw/zinc/95/39/71/324953971.db2.gz FCUYEROUWCROLX-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO Cc1nc(N2CC(C)=C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631260034 487966918 /nfs/dbraw/zinc/96/69/18/487966918.db2.gz CNVMIYDHEUDJDG-SSDOTTSWSA-N 1 2 219.292 1.165 20 0 BDADLO Cc1nc(N)nc(N2CC(C)=C[C@@H](C)C2)[nH+]1 ZINC000631260034 487966922 /nfs/dbraw/zinc/96/69/22/487966922.db2.gz CNVMIYDHEUDJDG-SSDOTTSWSA-N 1 2 219.292 1.165 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)c1cccc(F)c1 ZINC000544356821 325139038 /nfs/dbraw/zinc/13/90/38/325139038.db2.gz AYBYMXXUAZWTNW-UHFFFAOYSA-N 1 2 247.273 1.532 20 0 BDADLO C[C@@H]([NH2+]Cc1ccno1)c1nnc2ccccn21 ZINC000544483090 325145126 /nfs/dbraw/zinc/14/51/26/325145126.db2.gz TYGBBPIQNHLTGZ-SECBINFHSA-N 1 2 243.270 1.568 20 0 BDADLO COC(=O)c1oc(Cn2cc[nH+]c2)cc1C ZINC000073604293 325206100 /nfs/dbraw/zinc/20/61/00/325206100.db2.gz QDDWZBKZRYPNHS-UHFFFAOYSA-N 1 2 220.228 1.619 20 0 BDADLO Cc1ocnc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000545845477 325240332 /nfs/dbraw/zinc/24/03/32/325240332.db2.gz YFNYWBJPWZUTLG-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO CO[C@H](CNC(=O)Cn1cc[nH+]c1)CC(C)C ZINC000564306598 325298979 /nfs/dbraw/zinc/29/89/79/325298979.db2.gz CXJLNUBXACSBAL-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO N#Cc1cnccc1SCC[NH+]1CCOCC1 ZINC000547471514 325359802 /nfs/dbraw/zinc/35/98/02/325359802.db2.gz HEMUATJHKPCSPG-UHFFFAOYSA-N 1 2 249.339 1.378 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000547482389 325361573 /nfs/dbraw/zinc/36/15/73/325361573.db2.gz ZBKJABJMUXBPNS-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000547483960 325361857 /nfs/dbraw/zinc/36/18/57/325361857.db2.gz YUVBOKXCTAJZND-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CN(CCn1cccn1)c1[nH]c2ccccc2[nH+]1 ZINC000134975690 325385539 /nfs/dbraw/zinc/38/55/39/325385539.db2.gz PWKUGDVARBDJKW-UHFFFAOYSA-N 1 2 241.298 1.896 20 0 BDADLO CCCC[C@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000135230352 325401287 /nfs/dbraw/zinc/40/12/87/325401287.db2.gz UYYGBLBFBDSYSA-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cn2)[C@@H]1OC ZINC000547941010 325412839 /nfs/dbraw/zinc/41/28/39/325412839.db2.gz HRGATPZAQACSMN-FOGDFJRCSA-N 1 2 237.303 1.389 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)ccc1O ZINC000135839653 325430069 /nfs/dbraw/zinc/43/00/69/325430069.db2.gz WVHXHINEGFSGGX-UHFFFAOYSA-N 1 2 249.245 1.227 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCCCC1 ZINC000548520004 325466031 /nfs/dbraw/zinc/46/60/31/325466031.db2.gz ZQSMTDXMYMAFFM-UHFFFAOYSA-N 1 2 221.304 1.365 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](COC)C(C)C ZINC000083400083 325567110 /nfs/dbraw/zinc/56/71/10/325567110.db2.gz QWBHWINACVRJAH-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)C(C)(F)F ZINC000551849794 325571553 /nfs/dbraw/zinc/57/15/53/325571553.db2.gz SWAYAXFHCYRPKN-MRVPVSSYSA-N 1 2 245.273 1.370 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246905021 325581650 /nfs/dbraw/zinc/58/16/50/325581650.db2.gz RRZMVENAXICIPK-TUAOUCFPSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1scnc1C1CC1 ZINC000089825244 325669800 /nfs/dbraw/zinc/66/98/00/325669800.db2.gz CQAQBGPAEQTQKU-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO COc1cccnc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000553073546 325676053 /nfs/dbraw/zinc/67/60/53/325676053.db2.gz QUWYBZHMMMAVGU-SNVBAGLBSA-N 1 2 249.314 1.369 20 0 BDADLO C[C@H](C(=O)NCC(=O)C(C)(C)C)[NH+]1CC(C)C1 ZINC000565191788 325872193 /nfs/dbraw/zinc/87/21/93/325872193.db2.gz RBRYJNGZRAWWFE-SNVBAGLBSA-N 1 2 240.347 1.058 20 0 BDADLO CC[C@@](C)(CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565307317 325894506 /nfs/dbraw/zinc/89/45/06/325894506.db2.gz IVTLJGWDINNWAN-PWSUYJOCSA-N 1 2 239.319 1.111 20 0 BDADLO CC(=O)[C@@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)C1(C)C ZINC000153271336 325935736 /nfs/dbraw/zinc/93/57/36/325935736.db2.gz ASZGZAMXCOQWNU-VHSXEESVSA-N 1 2 249.314 1.277 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@](C)(O)C1 ZINC000565903336 325972799 /nfs/dbraw/zinc/97/27/99/325972799.db2.gz HCPTXJFRFPYBBY-NSHDSACASA-N 1 2 207.277 1.055 20 0 BDADLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000566304785 326031877 /nfs/dbraw/zinc/03/18/77/326031877.db2.gz QDGYVUWFRNQRKB-UTUOFQBUSA-N 1 2 235.331 1.949 20 0 BDADLO COC(=O)[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000566478123 326054507 /nfs/dbraw/zinc/05/45/07/326054507.db2.gz CJSKZXLZQUFODM-JTQLQIEISA-N 1 2 235.287 1.093 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000566483527 326056437 /nfs/dbraw/zinc/05/64/37/326056437.db2.gz VCQPWICNEDZIRY-VHSXEESVSA-N 1 2 234.303 1.159 20 0 BDADLO CC(C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566564898 326064771 /nfs/dbraw/zinc/06/47/71/326064771.db2.gz ZCPVBOGFRNATRG-JTQLQIEISA-N 1 2 209.293 1.606 20 0 BDADLO CCn1cc(CN(C)c2nc(C)[nH+]cc2C)cn1 ZINC000566689449 326075113 /nfs/dbraw/zinc/07/51/13/326075113.db2.gz RPMYSPGLSZCXDW-UHFFFAOYSA-N 1 2 245.330 1.946 20 0 BDADLO Cc1cnccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566860472 326089508 /nfs/dbraw/zinc/08/95/08/326089508.db2.gz MLGQJHYGRGZHAB-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)CC[S@](C)=O ZINC000566985650 326100723 /nfs/dbraw/zinc/10/07/23/326100723.db2.gz SAZOHGVJICVLSB-ABKXIKBNSA-N 1 2 241.360 1.084 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC(C(C)C)C(C)C)[C@H](C)O ZINC000567130129 326121915 /nfs/dbraw/zinc/12/19/15/326121915.db2.gz XLYLVBFUVHESMH-JQWIXIFHSA-N 1 2 245.363 1.427 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2c(n1)CCC2 ZINC000567447799 326193644 /nfs/dbraw/zinc/19/36/44/326193644.db2.gz NRORAQUFFXAGPF-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2c(n1)CCC2 ZINC000567447799 326193646 /nfs/dbraw/zinc/19/36/46/326193646.db2.gz NRORAQUFFXAGPF-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO C[C@@H](NC(=O)c1ccn(C)c1)c1[nH]cc[nH+]1 ZINC000567486471 326202495 /nfs/dbraw/zinc/20/24/95/326202495.db2.gz KRQVMLUZXTXZQH-MRVPVSSYSA-N 1 2 218.260 1.239 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccn1C ZINC000567518022 326208763 /nfs/dbraw/zinc/20/87/63/326208763.db2.gz DIAZMCFACSFBSY-JTQLQIEISA-N 1 2 246.314 1.243 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccn1C ZINC000567518022 326208764 /nfs/dbraw/zinc/20/87/64/326208764.db2.gz DIAZMCFACSFBSY-JTQLQIEISA-N 1 2 246.314 1.243 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccnc1 ZINC000155747358 326210878 /nfs/dbraw/zinc/21/08/78/326210878.db2.gz OXFURCAKYUODCX-NSHDSACASA-N 1 2 249.358 1.817 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccnc1 ZINC000155747358 326210879 /nfs/dbraw/zinc/21/08/79/326210879.db2.gz OXFURCAKYUODCX-NSHDSACASA-N 1 2 249.358 1.817 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000155767870 326211398 /nfs/dbraw/zinc/21/13/98/326211398.db2.gz YNCOZRXCDBVDNC-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155767870 326211400 /nfs/dbraw/zinc/21/14/00/326211400.db2.gz YNCOZRXCDBVDNC-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO Cn1cc[nH+]c1CNc1cnoc1C1CC1 ZINC000567575294 326220573 /nfs/dbraw/zinc/22/05/73/326220573.db2.gz XSNGSHBDNGXHGU-UHFFFAOYSA-N 1 2 218.260 1.898 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000567812362 326261431 /nfs/dbraw/zinc/26/14/31/326261431.db2.gz UJKKPYHLVWFCOZ-MWLCHTKSSA-N 1 2 238.287 1.055 20 0 BDADLO COc1cc(CNc2c[nH]c[nH+]2)cc2c1OCO2 ZINC000567876413 326275368 /nfs/dbraw/zinc/27/53/68/326275368.db2.gz VCZIWRNKDLJSPC-UHFFFAOYSA-N 1 2 247.254 1.759 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CC2 ZINC000568227975 326329292 /nfs/dbraw/zinc/32/92/92/326329292.db2.gz KIDRAUXRUJPDFJ-PSASIEDQSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CC2 ZINC000568227975 326329293 /nfs/dbraw/zinc/32/92/93/326329293.db2.gz KIDRAUXRUJPDFJ-PSASIEDQSA-N 1 2 219.288 1.257 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)CC(C)(C)O ZINC000568248164 326334370 /nfs/dbraw/zinc/33/43/70/326334370.db2.gz IYZJIWMCWCWOSH-VIFPVBQESA-N 1 2 223.320 1.477 20 0 BDADLO CCN1C[C@@H](Nc2nc(C)[nH+]cc2C)CC1=O ZINC000568248762 326334823 /nfs/dbraw/zinc/33/48/23/326334823.db2.gz ZKOXPUKLKVZKIT-JTQLQIEISA-N 1 2 234.303 1.126 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC1CCOCC1 ZINC000568250503 326335222 /nfs/dbraw/zinc/33/52/22/326335222.db2.gz RRKCBOVEOLSUCN-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO CCCN(c1[nH+]cnc2c1cnn2C)C(C)C ZINC000568294738 326342495 /nfs/dbraw/zinc/34/24/95/326342495.db2.gz ALVJSHGYNCKYOH-UHFFFAOYSA-N 1 2 233.319 1.988 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[C@H]1C1CC1 ZINC000568366582 326350195 /nfs/dbraw/zinc/35/01/95/326350195.db2.gz GLZQNKSIFHWOLG-OLZOCXBDSA-N 1 2 247.342 1.826 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1c[nH]cc1C ZINC000568662882 326371303 /nfs/dbraw/zinc/37/13/03/326371303.db2.gz MOTOAWKJPQIQIB-UHFFFAOYSA-N 1 2 232.287 1.470 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000568700875 326372724 /nfs/dbraw/zinc/37/27/24/326372724.db2.gz NXRRYDOZBPFDCD-NSHDSACASA-N 1 2 235.331 1.778 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(=O)OC ZINC000568716428 326373451 /nfs/dbraw/zinc/37/34/51/326373451.db2.gz ZDDMLMMGZBOIQN-MXWKQRLJSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@H]1C[C@@H](Nc2nc(N)c3ccccc3[nH+]2)CO1 ZINC000568994769 326385390 /nfs/dbraw/zinc/38/53/90/326385390.db2.gz HATSRYZEEYIXRF-DTWKUNHWSA-N 1 2 244.298 1.054 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572774045 326410012 /nfs/dbraw/zinc/41/00/12/326410012.db2.gz QSPBFIPFYNCKNK-RKDXNWHRSA-N 1 2 237.303 1.186 20 0 BDADLO CC(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000677120716 487973484 /nfs/dbraw/zinc/97/34/84/487973484.db2.gz XORKDQOSYJFXDN-UHFFFAOYSA-N 1 2 221.304 1.388 20 0 BDADLO Cc1nc(N2CC(C(C)C)C2)nc(N(C)C)[nH+]1 ZINC000677126199 487977294 /nfs/dbraw/zinc/97/72/94/487977294.db2.gz SWHNTSCHFODNOM-UHFFFAOYSA-N 1 2 235.335 1.338 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(C(C)C)C2)[nH+]1 ZINC000677126199 487977297 /nfs/dbraw/zinc/97/72/97/487977297.db2.gz SWHNTSCHFODNOM-UHFFFAOYSA-N 1 2 235.335 1.338 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)CC1CCC1 ZINC000681355962 487978403 /nfs/dbraw/zinc/97/84/03/487978403.db2.gz DJEUUUDPIDIJFY-UHFFFAOYSA-N 1 2 233.315 1.698 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000220517231 487979900 /nfs/dbraw/zinc/97/99/00/487979900.db2.gz VNSPAIBXTXIXDI-QWRGUYRKSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000220517231 487979903 /nfs/dbraw/zinc/97/99/03/487979903.db2.gz VNSPAIBXTXIXDI-QWRGUYRKSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000220517097 487980007 /nfs/dbraw/zinc/98/00/07/487980007.db2.gz VNSPAIBXTXIXDI-WDEREUQCSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000220517097 487980010 /nfs/dbraw/zinc/98/00/10/487980010.db2.gz VNSPAIBXTXIXDI-WDEREUQCSA-N 1 2 247.342 1.773 20 0 BDADLO O[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CC(F)(F)C1 ZINC000682545144 487981094 /nfs/dbraw/zinc/98/10/94/487981094.db2.gz ASLVQRNOGNLCPH-WDEREUQCSA-N 1 2 249.301 1.648 20 0 BDADLO O[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC(F)(F)C1 ZINC000682545144 487981099 /nfs/dbraw/zinc/98/10/99/487981099.db2.gz ASLVQRNOGNLCPH-WDEREUQCSA-N 1 2 249.301 1.648 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C2CCC2)C1 ZINC000665683060 487982227 /nfs/dbraw/zinc/98/22/27/487982227.db2.gz OIYUCFCDCOBKMZ-GFCCVEGCSA-N 1 2 247.342 1.611 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn3ccsc3n2)on1 ZINC000134434836 487982997 /nfs/dbraw/zinc/98/29/97/487982997.db2.gz WBMNXGANLSOUHV-UHFFFAOYSA-N 1 2 248.311 1.982 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)NC1CCCCC1 ZINC000084081856 487997956 /nfs/dbraw/zinc/99/79/56/487997956.db2.gz LDHQUOHCOPBOPY-UHFFFAOYSA-N 1 2 222.292 1.542 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)NC1CCCCC1 ZINC000084081856 487997962 /nfs/dbraw/zinc/99/79/62/487997962.db2.gz LDHQUOHCOPBOPY-UHFFFAOYSA-N 1 2 222.292 1.542 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1ccccn1 ZINC000134828538 488000492 /nfs/dbraw/zinc/00/04/92/488000492.db2.gz CBRCUPRFSAMYBF-UHFFFAOYSA-N 1 2 245.286 1.099 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1ccccn1 ZINC000134828538 488000500 /nfs/dbraw/zinc/00/05/00/488000500.db2.gz CBRCUPRFSAMYBF-UHFFFAOYSA-N 1 2 245.286 1.099 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000655161136 488005615 /nfs/dbraw/zinc/00/56/15/488005615.db2.gz RTZFHUZFAFZDNK-NOOOWODRSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000655161136 488005623 /nfs/dbraw/zinc/00/56/23/488005623.db2.gz RTZFHUZFAFZDNK-NOOOWODRSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H]1SCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655160283 488005736 /nfs/dbraw/zinc/00/57/36/488005736.db2.gz JCIJRTRETXLIMG-NXEZZACHSA-N 1 2 242.388 1.338 20 0 BDADLO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000655845037 488013516 /nfs/dbraw/zinc/01/35/16/488013516.db2.gz HZQOQDFJBCCAGU-XYPYZODXSA-N 1 2 223.320 1.845 20 0 BDADLO COc1ccnc(C[N@H+]2CC=CCC2)c1OC ZINC000682772081 488036330 /nfs/dbraw/zinc/03/63/30/488036330.db2.gz KALCIXQRSWMUEA-UHFFFAOYSA-N 1 2 234.299 1.861 20 0 BDADLO COc1ccnc(C[N@@H+]2CC=CCC2)c1OC ZINC000682772081 488036337 /nfs/dbraw/zinc/03/63/37/488036337.db2.gz KALCIXQRSWMUEA-UHFFFAOYSA-N 1 2 234.299 1.861 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CCC[C@H](C)O)CC2 ZINC000682771478 488036435 /nfs/dbraw/zinc/03/64/35/488036435.db2.gz HYKCAXKLOYFPLU-NSHDSACASA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CCC[C@H](C)O)CC2 ZINC000682771478 488036440 /nfs/dbraw/zinc/03/64/40/488036440.db2.gz HYKCAXKLOYFPLU-NSHDSACASA-N 1 2 223.320 1.168 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667518022 488036873 /nfs/dbraw/zinc/03/68/73/488036873.db2.gz MRGDOXRUNAEIIJ-NWDGAFQWSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667518022 488036875 /nfs/dbraw/zinc/03/68/75/488036875.db2.gz MRGDOXRUNAEIIJ-NWDGAFQWSA-N 1 2 249.358 1.902 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOCC1(C)C ZINC000667543835 488041333 /nfs/dbraw/zinc/04/13/33/488041333.db2.gz MVKPZJXNHDDVMZ-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOCC1(C)C ZINC000667543835 488041334 /nfs/dbraw/zinc/04/13/34/488041334.db2.gz MVKPZJXNHDDVMZ-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000084357300 488046356 /nfs/dbraw/zinc/04/63/56/488046356.db2.gz PTAWAVRLUBFJFD-UHFFFAOYSA-N 1 2 207.273 1.262 20 0 BDADLO CCCn1nccc1C[N@H+](C)Cc1cnccn1 ZINC000667561498 488046441 /nfs/dbraw/zinc/04/64/41/488046441.db2.gz YUCVGBZYQCDINB-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO CCCn1nccc1C[N@@H+](C)Cc1cnccn1 ZINC000667561498 488046446 /nfs/dbraw/zinc/04/64/46/488046446.db2.gz YUCVGBZYQCDINB-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000652657232 488048247 /nfs/dbraw/zinc/04/82/47/488048247.db2.gz UYEUGKZLXHQWQS-RGOKHQFPSA-N 1 2 234.303 1.597 20 0 BDADLO CO[C@]1(CO)CCC[N@H+](Cc2cscn2)C1 ZINC000401707355 488050195 /nfs/dbraw/zinc/05/01/95/488050195.db2.gz FNSRLPYQGZJIDJ-LLVKDONJSA-N 1 2 242.344 1.116 20 0 BDADLO CO[C@]1(CO)CCC[N@@H+](Cc2cscn2)C1 ZINC000401707355 488050198 /nfs/dbraw/zinc/05/01/98/488050198.db2.gz FNSRLPYQGZJIDJ-LLVKDONJSA-N 1 2 242.344 1.116 20 0 BDADLO CN(CCn1cccn1)Cc1c[nH+]c2n1CCC2 ZINC000667627364 488062474 /nfs/dbraw/zinc/06/24/74/488062474.db2.gz ZKKMASZQDHIBBS-UHFFFAOYSA-N 1 2 245.330 1.158 20 0 BDADLO O=C(c1cnco1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000677526147 488066167 /nfs/dbraw/zinc/06/61/67/488066167.db2.gz FDICPIMEOUIUPA-VIFPVBQESA-N 1 2 246.270 1.765 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(O)c1 ZINC000062320496 488066006 /nfs/dbraw/zinc/06/60/06/488066006.db2.gz VZHSAAIYSZLNQC-UHFFFAOYSA-N 1 2 245.282 1.398 20 0 BDADLO c1[nH+]c2n(c1CN1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000667643758 488067951 /nfs/dbraw/zinc/06/79/51/488067951.db2.gz OKDBFKZRZCIOQE-TXEJJXNPSA-N 1 2 233.315 1.193 20 0 BDADLO 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c1cnc(C[N@H+]2CCOCC3(CCCC3)C2)nc1 ZINC000683023248 488097644 /nfs/dbraw/zinc/09/76/44/488097644.db2.gz AVHGJPZTJGDHOL-UHFFFAOYSA-N 1 2 247.342 1.869 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nc(C)no2)c1 ZINC000683031209 488102241 /nfs/dbraw/zinc/10/22/41/488102241.db2.gz QCXNILGVKGTCTK-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nc(C)no2)c1 ZINC000683031209 488102242 /nfs/dbraw/zinc/10/22/42/488102242.db2.gz QCXNILGVKGTCTK-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2ncccn2)c1 ZINC000683031391 488102055 /nfs/dbraw/zinc/10/20/55/488102055.db2.gz PZYULHJAXFFKEU-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2ncccn2)c1 ZINC000683031391 488102058 /nfs/dbraw/zinc/10/20/58/488102058.db2.gz PZYULHJAXFFKEU-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO COCC1([N@H+](C)Cc2nccn2C(F)F)CC1 ZINC000677727432 488103498 /nfs/dbraw/zinc/10/34/98/488103498.db2.gz YPNHTPDXGXEKGJ-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO COCC1([N@@H+](C)Cc2nccn2C(F)F)CC1 ZINC000677727432 488103502 /nfs/dbraw/zinc/10/35/02/488103502.db2.gz YPNHTPDXGXEKGJ-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO CCc1nnc(C[N@H+](C)C2(COC)CC2)o1 ZINC000677725664 488103881 /nfs/dbraw/zinc/10/38/81/488103881.db2.gz FLRQEGZVMZSSJZ-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2(COC)CC2)o1 ZINC000677725664 488103884 /nfs/dbraw/zinc/10/38/84/488103884.db2.gz FLRQEGZVMZSSJZ-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)nn1C ZINC000677733461 488111002 /nfs/dbraw/zinc/11/10/02/488111002.db2.gz PCPOHZYZMIEWRK-UHFFFAOYSA-N 1 2 241.285 1.960 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683110071 488111903 /nfs/dbraw/zinc/11/19/03/488111903.db2.gz XSGUZHHVIYPCKN-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683110071 488111905 /nfs/dbraw/zinc/11/19/05/488111905.db2.gz XSGUZHHVIYPCKN-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)C1CCC1 ZINC000451810780 488114066 /nfs/dbraw/zinc/11/40/66/488114066.db2.gz CXLZAMPAKHGODV-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1cc(C[N@H+](C)CCOC(C)(C)C)nn1 ZINC000677761926 488119024 /nfs/dbraw/zinc/11/90/24/488119024.db2.gz CMLLXQMCEGJATB-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO Cn1cc(C[N@@H+](C)CCOC(C)(C)C)nn1 ZINC000677761926 488119027 /nfs/dbraw/zinc/11/90/27/488119027.db2.gz CMLLXQMCEGJATB-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662041757 488119274 /nfs/dbraw/zinc/11/92/74/488119274.db2.gz WGYAWFZINYAVPA-MNOVXSKESA-N 1 2 249.314 1.415 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662041757 488119278 /nfs/dbraw/zinc/11/92/78/488119278.db2.gz WGYAWFZINYAVPA-MNOVXSKESA-N 1 2 249.314 1.415 20 0 BDADLO Cc1noc(C[N@H+](C)CCOCC2CCC2)n1 ZINC000677767988 488121168 /nfs/dbraw/zinc/12/11/68/488121168.db2.gz QPNYNLJZSNIJEA-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOCC2CCC2)n1 ZINC000677767988 488121172 /nfs/dbraw/zinc/12/11/72/488121172.db2.gz QPNYNLJZSNIJEA-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000677811515 488129266 /nfs/dbraw/zinc/12/92/66/488129266.db2.gz WYUGHHNPOBHCHA-QMMMGPOBSA-N 1 2 234.307 1.502 20 0 BDADLO CC1(C)COCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000670390027 488132698 /nfs/dbraw/zinc/13/26/98/488132698.db2.gz WGUPOODYHZVCNN-UHFFFAOYSA-N 1 2 245.282 1.543 20 0 BDADLO COc1cccnc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000525998336 487537813 /nfs/dbraw/zinc/53/78/13/487537813.db2.gz DDBDOAIMALPDNK-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1cccnc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000525998336 487537818 /nfs/dbraw/zinc/53/78/18/487537818.db2.gz DDBDOAIMALPDNK-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000685565322 487547120 /nfs/dbraw/zinc/54/71/20/487547120.db2.gz GCYUVJJTJWUVNW-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000685565322 487547124 /nfs/dbraw/zinc/54/71/24/487547124.db2.gz GCYUVJJTJWUVNW-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@@H]2CCOC2)no1 ZINC000668796372 487550219 /nfs/dbraw/zinc/55/02/19/487550219.db2.gz RLNBXNJWSDYKES-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@@H]2CCOC2)no1 ZINC000668796372 487550226 /nfs/dbraw/zinc/55/02/26/487550226.db2.gz RLNBXNJWSDYKES-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C)(C)C1 ZINC000669342272 487533396 /nfs/dbraw/zinc/53/33/96/487533396.db2.gz BQMHVBKEGQHHSX-GHMZBOCLSA-N 1 2 247.342 1.782 20 0 BDADLO Cc1c(C(=O)N(C)Cc2[nH+]ccn2C)ccn1C ZINC000684949016 487474297 /nfs/dbraw/zinc/47/42/97/487474297.db2.gz IHAJHDMPVFVULJ-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO Cc1cc(N2CCCC[C@@H]2[C@@H](C)CO)nc[nH+]1 ZINC000664266435 487476445 /nfs/dbraw/zinc/47/64/45/487476445.db2.gz HJNFRXRTAFVCRR-CMPLNLGQSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCn3cc(C)nc3C2)c1 ZINC000679869150 487477512 /nfs/dbraw/zinc/47/75/12/487477512.db2.gz IHMRWEDMHHGFDC-UHFFFAOYSA-N 1 2 245.330 1.212 20 0 BDADLO Cc1cnn(CC[N@H+]2CCn3cc(C)nc3C2)c1 ZINC000679869150 487477518 /nfs/dbraw/zinc/47/75/18/487477518.db2.gz IHMRWEDMHHGFDC-UHFFFAOYSA-N 1 2 245.330 1.212 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cccnc1 ZINC000673926897 487480051 /nfs/dbraw/zinc/48/00/51/487480051.db2.gz AWOQXBNWLIUVPW-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cccnc1 ZINC000673926897 487480057 /nfs/dbraw/zinc/48/00/57/487480057.db2.gz AWOQXBNWLIUVPW-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccno2)c1OC ZINC000231882542 487486236 /nfs/dbraw/zinc/48/62/36/487486236.db2.gz AKPCBYYFARHLAY-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO C[C@H]([NH2+]Cc1ccno1)c1cscn1 ZINC000231881012 487487056 /nfs/dbraw/zinc/48/70/56/487487056.db2.gz JGSDMZATKWTTEV-ZETCQYMHSA-N 1 2 209.274 1.982 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000685043904 487495895 /nfs/dbraw/zinc/49/58/95/487495895.db2.gz QFGWNGHHALNHFX-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000685043904 487495897 /nfs/dbraw/zinc/49/58/97/487495897.db2.gz QFGWNGHHALNHFX-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO CC(C)n1ccnc1C[NH+]1CC(CCO)C1 ZINC000668231863 487498365 /nfs/dbraw/zinc/49/83/65/487498365.db2.gz PZAXEAHVYSXQPA-UHFFFAOYSA-N 1 2 223.320 1.278 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2CCCC2)C1 ZINC000669570847 487516228 /nfs/dbraw/zinc/51/62/28/487516228.db2.gz WDFBBNRQEPFAQQ-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCS[C@@H]1C ZINC000381637764 487516384 /nfs/dbraw/zinc/51/63/84/487516384.db2.gz XRRZDJJEJVAVAI-RNFRBKRXSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCS[C@@H]1C ZINC000381637764 487516388 /nfs/dbraw/zinc/51/63/88/487516388.db2.gz XRRZDJJEJVAVAI-RNFRBKRXSA-N 1 2 240.332 1.373 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)C1CCCC1 ZINC000674106165 487521446 /nfs/dbraw/zinc/52/14/46/487521446.db2.gz UHRZJIQVNVRIGD-JTQLQIEISA-N 1 2 235.331 1.863 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cccc(OC)c1F ZINC000668788864 487534255 /nfs/dbraw/zinc/53/42/55/487534255.db2.gz WQTGYOJLJVTEAG-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cccc(OC)c1F ZINC000668788864 487534260 /nfs/dbraw/zinc/53/42/60/487534260.db2.gz WQTGYOJLJVTEAG-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cn(C)cn1 ZINC000660147771 487693725 /nfs/dbraw/zinc/69/37/25/487693725.db2.gz FHCRIIHRFNVFNJ-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cn(C)cn1 ZINC000660147771 487693729 /nfs/dbraw/zinc/69/37/29/487693729.db2.gz FHCRIIHRFNVFNJ-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CCOc1cncc(N2CCn3cc[nH+]c3C2)n1 ZINC000676029576 487801151 /nfs/dbraw/zinc/80/11/51/487801151.db2.gz SUOIDKAOXPFRQU-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO Cc1nc(N2CCc3c[nH]nc3C2)cc[nH+]1 ZINC000676765917 487924053 /nfs/dbraw/zinc/92/40/53/487924053.db2.gz AZEFFSITDHSLGJ-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667492468 488026001 /nfs/dbraw/zinc/02/60/01/488026001.db2.gz JNUDAVCOCOGULJ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667492468 488026004 /nfs/dbraw/zinc/02/60/04/488026004.db2.gz JNUDAVCOCOGULJ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO CCc1noc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000677802642 488125528 /nfs/dbraw/zinc/12/55/28/488125528.db2.gz QLLZQXZXZQIADF-MRVPVSSYSA-N 1 2 235.291 1.548 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000685845597 488127753 /nfs/dbraw/zinc/12/77/53/488127753.db2.gz AOBTTWALJWWJSY-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1cnn(C)c1C ZINC000685845597 488127756 /nfs/dbraw/zinc/12/77/56/488127756.db2.gz AOBTTWALJWWJSY-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO c1cn([C@H]2CCCN(Cc3cocn3)C2)c[nH+]1 ZINC000683353052 488151270 /nfs/dbraw/zinc/15/12/70/488151270.db2.gz RXFILRJSCOMUJD-LBPRGKRZSA-N 1 2 232.287 1.708 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC12CCC2 ZINC000677922163 488157077 /nfs/dbraw/zinc/15/70/77/488157077.db2.gz UPUBLEISCWHBAF-NXEZZACHSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC12CCC2 ZINC000677922163 488157080 /nfs/dbraw/zinc/15/70/80/488157080.db2.gz UPUBLEISCWHBAF-NXEZZACHSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC12CCC2 ZINC000677922165 488157395 /nfs/dbraw/zinc/15/73/95/488157395.db2.gz UPUBLEISCWHBAF-VHSXEESVSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC12CCC2 ZINC000677922165 488157397 /nfs/dbraw/zinc/15/73/97/488157397.db2.gz UPUBLEISCWHBAF-VHSXEESVSA-N 1 2 245.326 1.573 20 0 BDADLO C[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)C1CC1 ZINC000673905523 488158028 /nfs/dbraw/zinc/15/80/28/488158028.db2.gz FZPISNORRASRCE-SNVBAGLBSA-N 1 2 246.310 1.717 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccccc2OC)nn1 ZINC000404433635 488159624 /nfs/dbraw/zinc/15/96/24/488159624.db2.gz AUNUGZXSLWCQEB-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cncc(F)c2)nn1 ZINC000404444992 488160884 /nfs/dbraw/zinc/16/08/84/488160884.db2.gz NBWIHKMWCCJGIJ-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CC1=CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000230878376 488169143 /nfs/dbraw/zinc/16/91/43/488169143.db2.gz RZCRTIBIPQFABQ-UHFFFAOYSA-N 1 2 204.273 1.730 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@H]1C1CC1 ZINC000562651378 488170282 /nfs/dbraw/zinc/17/02/82/488170282.db2.gz HYLTVRLNLJNOET-NSHDSACASA-N 1 2 234.303 1.077 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)C1(CCF)CC1 ZINC000627372746 488182211 /nfs/dbraw/zinc/18/22/11/488182211.db2.gz VZZWISRWSLHCHD-UHFFFAOYSA-N 1 2 237.278 1.434 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)C1(CCF)CC1 ZINC000627372746 488182215 /nfs/dbraw/zinc/18/22/15/488182215.db2.gz VZZWISRWSLHCHD-UHFFFAOYSA-N 1 2 237.278 1.434 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000677714205 488187933 /nfs/dbraw/zinc/18/79/33/488187933.db2.gz RYSMTEUIAHETJX-MRVPVSSYSA-N 1 2 233.237 1.804 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000677714205 488187937 /nfs/dbraw/zinc/18/79/37/488187937.db2.gz RYSMTEUIAHETJX-MRVPVSSYSA-N 1 2 233.237 1.804 20 0 BDADLO CCc1cc(NCCc2nnc(C)n2C)nc[nH+]1 ZINC000683534828 488189591 /nfs/dbraw/zinc/18/95/91/488189591.db2.gz DPGXJJKDUXWMSX-UHFFFAOYSA-N 1 2 246.318 1.131 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1nccs1 ZINC000683565665 488197026 /nfs/dbraw/zinc/19/70/26/488197026.db2.gz GYQMFFMHINXKIA-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1nccs1 ZINC000683565665 488197028 /nfs/dbraw/zinc/19/70/28/488197028.db2.gz GYQMFFMHINXKIA-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CN(C(=O)c2nccs2)[C@@H](C)C[N@@H+]1C ZINC000683566269 488197439 /nfs/dbraw/zinc/19/74/39/488197439.db2.gz REUVBFCMFVEZTF-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CN(C(=O)c2nccs2)[C@@H](C)C[N@H+]1C ZINC000683566269 488197443 /nfs/dbraw/zinc/19/74/43/488197443.db2.gz REUVBFCMFVEZTF-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCCOC[C@H]1C ZINC000678095648 488197583 /nfs/dbraw/zinc/19/75/83/488197583.db2.gz IFKFFDHKJICIHT-LLVKDONJSA-N 1 2 249.314 1.455 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678134329 488202417 /nfs/dbraw/zinc/20/24/17/488202417.db2.gz YBNDVYXVSBUBME-SNVBAGLBSA-N 1 2 235.262 1.040 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678134329 488202419 /nfs/dbraw/zinc/20/24/19/488202419.db2.gz YBNDVYXVSBUBME-SNVBAGLBSA-N 1 2 235.262 1.040 20 0 BDADLO C[C@H](CF)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672669005 488202457 /nfs/dbraw/zinc/20/24/57/488202457.db2.gz ZVBWALLQIQHJQX-MRVPVSSYSA-N 1 2 236.250 1.814 20 0 BDADLO CCOC1(C(=O)Nc2cc[nH+]cc2CC)CCC1 ZINC000668745115 488203834 /nfs/dbraw/zinc/20/38/34/488203834.db2.gz BWFAWAADDHRDQA-UHFFFAOYSA-N 1 2 248.326 1.964 20 0 BDADLO C=Cn1cc(C[N@@H+](C)Cc2cnn(CC)c2)cn1 ZINC000683699188 488209394 /nfs/dbraw/zinc/20/93/94/488209394.db2.gz PBTFIOAAOBKETK-UHFFFAOYSA-N 1 2 245.330 1.832 20 0 BDADLO C=Cn1cc(C[N@H+](C)Cc2cnn(CC)c2)cn1 ZINC000683699188 488209398 /nfs/dbraw/zinc/20/93/98/488209398.db2.gz PBTFIOAAOBKETK-UHFFFAOYSA-N 1 2 245.330 1.832 20 0 BDADLO CC(F)(F)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668194459 488219725 /nfs/dbraw/zinc/21/97/25/488219725.db2.gz JFMYWPPUQJAGTH-BDAKNGLRSA-N 1 2 205.248 1.799 20 0 BDADLO OCC[N@H+](CCC1CCC1)CC(F)F ZINC000398635325 488220676 /nfs/dbraw/zinc/22/06/76/488220676.db2.gz USJDMKDQNJEUQX-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO OCC[N@@H+](CCC1CCC1)CC(F)F ZINC000398635325 488220678 /nfs/dbraw/zinc/22/06/78/488220678.db2.gz USJDMKDQNJEUQX-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO COc1ncccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000683785245 488222229 /nfs/dbraw/zinc/22/22/29/488222229.db2.gz XUEVACOWVYTYJX-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ncccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000683785245 488222231 /nfs/dbraw/zinc/22/22/31/488222231.db2.gz XUEVACOWVYTYJX-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000287116872 488222688 /nfs/dbraw/zinc/22/26/88/488222688.db2.gz CPDJIXMDMOMEAR-GHMZBOCLSA-N 1 2 248.330 1.402 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000287116872 488222693 /nfs/dbraw/zinc/22/26/93/488222693.db2.gz CPDJIXMDMOMEAR-GHMZBOCLSA-N 1 2 248.330 1.402 20 0 BDADLO Cn1cc(CNc2cc3cc[nH]c3c[nH+]2)cn1 ZINC000683893258 488238404 /nfs/dbraw/zinc/23/84/04/488238404.db2.gz FJVSFVFEJWGIJC-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2C)c(C)[nH+]1 ZINC000194828025 488240327 /nfs/dbraw/zinc/24/03/27/488240327.db2.gz CIPQOUSSBBHFSR-NSHDSACASA-N 1 2 247.298 1.258 20 0 BDADLO O=C(CCC(F)F)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146889 488240802 /nfs/dbraw/zinc/24/08/02/488240802.db2.gz VGOOCJBXBMOIOW-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154699 488242481 /nfs/dbraw/zinc/24/24/81/488242481.db2.gz QKYGMAHXYFXMCR-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155071 488242751 /nfs/dbraw/zinc/24/27/51/488242751.db2.gz XDQKWLWKPRMYOC-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930525 488246844 /nfs/dbraw/zinc/24/68/44/488246844.db2.gz QPNWIQWNSDKMKJ-UHFFFAOYSA-N 1 2 240.253 1.885 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000683995085 488254242 /nfs/dbraw/zinc/25/42/42/488254242.db2.gz HWYZJYQDXNVSFQ-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000683995085 488254245 /nfs/dbraw/zinc/25/42/45/488254245.db2.gz HWYZJYQDXNVSFQ-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccsc1 ZINC000678593003 488269442 /nfs/dbraw/zinc/26/94/42/488269442.db2.gz KOYGUEUWSLBOKI-MRVPVSSYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](CCO)C2)s1 ZINC000678623506 488272950 /nfs/dbraw/zinc/27/29/50/488272950.db2.gz HMYIPYALSAKVQV-JTQLQIEISA-N 1 2 241.360 1.441 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](CCO)C2)s1 ZINC000678623506 488272951 /nfs/dbraw/zinc/27/29/51/488272951.db2.gz HMYIPYALSAKVQV-JTQLQIEISA-N 1 2 241.360 1.441 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[C@H]1C)CC2 ZINC000673179951 488278214 /nfs/dbraw/zinc/27/82/14/488278214.db2.gz JGNKHDXUDAJNHD-MWLCHTKSSA-N 1 2 248.330 1.515 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NC1CC=CC1 ZINC000678781167 488282353 /nfs/dbraw/zinc/28/23/53/488282353.db2.gz CHTLZISBDROOQW-UHFFFAOYSA-N 1 2 234.303 1.280 20 0 BDADLO C[N@H+](Cc1nc2c(s1)CCC2)[C@@H]1CCOC1 ZINC000678823582 488287876 /nfs/dbraw/zinc/28/78/76/488287876.db2.gz QYWCCOZXSRWTRG-SECBINFHSA-N 1 2 238.356 1.853 20 0 BDADLO C[N@@H+](Cc1nc2c(s1)CCC2)[C@@H]1CCOC1 ZINC000678823582 488287877 /nfs/dbraw/zinc/28/78/77/488287877.db2.gz QYWCCOZXSRWTRG-SECBINFHSA-N 1 2 238.356 1.853 20 0 BDADLO COCC1([N@H+](C)Cc2ccn(C)n2)CC1 ZINC000678891452 488293929 /nfs/dbraw/zinc/29/39/29/488293929.db2.gz GTLLIEYWSSAKAT-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC1([N@@H+](C)Cc2ccn(C)n2)CC1 ZINC000678891452 488293930 /nfs/dbraw/zinc/29/39/30/488293930.db2.gz GTLLIEYWSSAKAT-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccco1 ZINC000673606461 488297420 /nfs/dbraw/zinc/29/74/20/488297420.db2.gz IGXJTZSVQWCXTM-GFCCVEGCSA-N 1 2 249.314 1.881 20 0 BDADLO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C(C)(C)O ZINC000673688754 488304354 /nfs/dbraw/zinc/30/43/54/488304354.db2.gz IGFOOLDEPLMNNK-VIFPVBQESA-N 1 2 247.298 1.224 20 0 BDADLO C[C@H](O)CN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673858460 488310084 /nfs/dbraw/zinc/31/00/84/488310084.db2.gz FPGOWFIMHKHLCB-VIFPVBQESA-N 1 2 248.286 1.179 20 0 BDADLO O=C(CCC(F)F)NCCCCn1cc[nH+]c1 ZINC000684441371 488313198 /nfs/dbraw/zinc/31/31/98/488313198.db2.gz DXRUPAUOHMWAHH-UHFFFAOYSA-N 1 2 245.273 1.825 20 0 BDADLO Cc1cc(NC(=O)CCC(F)F)cc[nH+]1 ZINC000684440846 488313412 /nfs/dbraw/zinc/31/34/12/488313412.db2.gz ZWMRCUDRGWSFLV-UHFFFAOYSA-N 1 2 214.215 1.796 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)nc[nH+]1 ZINC000679192658 488315873 /nfs/dbraw/zinc/31/58/73/488315873.db2.gz OQCRAWMGULLIKK-SCZZXKLOSA-N 1 2 209.268 1.969 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1F ZINC000679219233 488318572 /nfs/dbraw/zinc/31/85/72/488318572.db2.gz FKOZMQGABAWGDM-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1F ZINC000679219233 488318574 /nfs/dbraw/zinc/31/85/74/488318574.db2.gz FKOZMQGABAWGDM-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO Cc1cc(N2CC([C@@H]3CCOC3)C2)nc[nH+]1 ZINC000684595249 488330310 /nfs/dbraw/zinc/33/03/10/488330310.db2.gz YMPIQSVFNFKNRY-SNVBAGLBSA-N 1 2 219.288 1.258 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C(F)(F)F)O1 ZINC000684618123 488332621 /nfs/dbraw/zinc/33/26/21/488332621.db2.gz JYGFFJYTEDXCJK-APPZFPTMSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C(F)(F)F)O1 ZINC000684618123 488332622 /nfs/dbraw/zinc/33/26/22/488332622.db2.gz JYGFFJYTEDXCJK-APPZFPTMSA-N 1 2 249.236 1.561 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000684619678 488334271 /nfs/dbraw/zinc/33/42/71/488334271.db2.gz JXOBIGDPISMEEC-LBPRGKRZSA-N 1 2 237.347 1.565 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000684619678 488334272 /nfs/dbraw/zinc/33/42/72/488334272.db2.gz JXOBIGDPISMEEC-LBPRGKRZSA-N 1 2 237.347 1.565 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC=CCC1 ZINC000679327434 488339341 /nfs/dbraw/zinc/33/93/41/488339341.db2.gz MZVXISHGTFQPRM-NSHDSACASA-N 1 2 231.299 1.234 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC=CCC1 ZINC000679345367 488342655 /nfs/dbraw/zinc/34/26/55/488342655.db2.gz FZVWHFGZAGEYBG-UHFFFAOYSA-N 1 2 217.272 1.606 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCNc1cnccn1 ZINC000679348625 488342889 /nfs/dbraw/zinc/34/28/89/488342889.db2.gz FRHWYWWWVJBOGH-VIFPVBQESA-N 1 2 246.318 1.271 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000679353245 488343558 /nfs/dbraw/zinc/34/35/58/488343558.db2.gz XMIWZHZAYWLSOY-NXEZZACHSA-N 1 2 233.319 1.654 20 0 BDADLO COCCOC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000679355652 488344060 /nfs/dbraw/zinc/34/40/60/488344060.db2.gz OBIDVFKDZDYCST-UWVGGRQHSA-N 1 2 241.335 1.420 20 0 BDADLO CN(Cc1noc(C(C)(C)C)n1)Cc1[nH]cc[nH+]1 ZINC000684836083 488347966 /nfs/dbraw/zinc/34/79/66/488347966.db2.gz BBQUCNSRSGOEKV-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000110111600 490104118 /nfs/dbraw/zinc/10/41/18/490104118.db2.gz JBVPRLFSHMLKQM-SNVBAGLBSA-N 1 2 221.304 1.561 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC000659851297 490093306 /nfs/dbraw/zinc/09/33/06/490093306.db2.gz FHCFIRZXRAKLAV-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nc(C)oc1C ZINC000659851297 490093307 /nfs/dbraw/zinc/09/33/07/490093307.db2.gz FHCFIRZXRAKLAV-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO COC(=O)Cc1cccc(NCC(C)C)[nH+]1 ZINC000191653281 490181094 /nfs/dbraw/zinc/18/10/94/490181094.db2.gz IEFGCFUIFGDFCI-UHFFFAOYSA-N 1 2 222.288 1.865 20 0 BDADLO CC(C)n1ncnc1C[N@H+](CCCO)C1CC1 ZINC000404204276 490245140 /nfs/dbraw/zinc/24/51/40/490245140.db2.gz AQNNWRPKNQYYFD-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](CCCO)C1CC1 ZINC000404204276 490245142 /nfs/dbraw/zinc/24/51/42/490245142.db2.gz AQNNWRPKNQYYFD-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222832 490258551 /nfs/dbraw/zinc/25/85/51/490258551.db2.gz JMNVEUDZSRDRNI-VWYCJHECSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222832 490258558 /nfs/dbraw/zinc/25/85/58/490258558.db2.gz JMNVEUDZSRDRNI-VWYCJHECSA-N 1 2 230.327 1.581 20 0 BDADLO COc1cc(C)nc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000124352847 490354767 /nfs/dbraw/zinc/35/47/67/490354767.db2.gz CNSULSHLMMZBIB-JTQLQIEISA-N 1 2 247.302 1.491 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C1CC1 ZINC000073366574 490431157 /nfs/dbraw/zinc/43/11/57/490431157.db2.gz OVDLKDRVWWFODK-LLVKDONJSA-N 1 2 219.288 1.284 20 0 BDADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128371308 490578251 /nfs/dbraw/zinc/57/82/51/490578251.db2.gz SOZLLAVUVYGSKB-PSASIEDQSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128371308 490578253 /nfs/dbraw/zinc/57/82/53/490578253.db2.gz SOZLLAVUVYGSKB-PSASIEDQSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)C1CC1 ZINC000305844171 490619849 /nfs/dbraw/zinc/61/98/49/490619849.db2.gz SCXIDIHPCBZETD-JTQLQIEISA-N 1 2 235.331 1.721 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CCC2(CC2)CC1 ZINC000668994919 491076880 /nfs/dbraw/zinc/07/68/80/491076880.db2.gz AQIABGJIYBDCHT-UHFFFAOYSA-N 1 2 233.315 1.996 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CCC2(CC2)CC1 ZINC000668994919 491076881 /nfs/dbraw/zinc/07/68/81/491076881.db2.gz AQIABGJIYBDCHT-UHFFFAOYSA-N 1 2 233.315 1.996 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826381 491053772 /nfs/dbraw/zinc/05/37/72/491053772.db2.gz FHCAQSWJFQOWMB-UWVGGRQHSA-N 1 2 238.335 1.145 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826381 491053773 /nfs/dbraw/zinc/05/37/73/491053773.db2.gz FHCAQSWJFQOWMB-UWVGGRQHSA-N 1 2 238.335 1.145 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826380 491053778 /nfs/dbraw/zinc/05/37/78/491053778.db2.gz FHCAQSWJFQOWMB-ZJUUUORDSA-N 1 2 238.335 1.145 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826380 491053779 /nfs/dbraw/zinc/05/37/79/491053779.db2.gz FHCAQSWJFQOWMB-ZJUUUORDSA-N 1 2 238.335 1.145 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3noc(C4CC4)n3)C[C@@H]12 ZINC000228104653 491090485 /nfs/dbraw/zinc/09/04/85/491090485.db2.gz KXKHVLPHYCGJLR-GMTAPVOTSA-N 1 2 249.314 1.150 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3noc(C4CC4)n3)C[C@@H]12 ZINC000228104653 491090486 /nfs/dbraw/zinc/09/04/86/491090486.db2.gz KXKHVLPHYCGJLR-GMTAPVOTSA-N 1 2 249.314 1.150 20 0 BDADLO COCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569353100 491126868 /nfs/dbraw/zinc/12/68/68/491126868.db2.gz LPVRGCIRJSMZQC-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO COCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569353100 491126869 /nfs/dbraw/zinc/12/68/69/491126869.db2.gz LPVRGCIRJSMZQC-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CC2=CCCOC2)n1 ZINC000309598609 491152985 /nfs/dbraw/zinc/15/29/85/491152985.db2.gz WYVDBNNNNVQRFW-MRVPVSSYSA-N 1 2 223.276 1.375 20 0 BDADLO COCCN1CC[C@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000309984647 491159318 /nfs/dbraw/zinc/15/93/18/491159318.db2.gz XUHXHAKBCOGQKI-VIFPVBQESA-N 1 2 236.306 1.340 20 0 BDADLO CCc1cc(N[C@H](CCOC)COC)nc[nH+]1 ZINC000310473700 491161652 /nfs/dbraw/zinc/16/16/52/491161652.db2.gz JJJHUHUJQUMAMQ-LLVKDONJSA-N 1 2 239.319 1.502 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493069360 533783775 /nfs/dbraw/zinc/78/37/75/533783775.db2.gz HFSMCLNNMYDUKZ-VMDCKITASA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H](CC(=O)NC/C=C/Cl)n1cc[nH+]c1 ZINC000891200446 582626566 /nfs/dbraw/zinc/62/65/66/582626566.db2.gz HPZZNGVDMIOUIA-HPOULIHZSA-N 1 2 227.695 1.703 20 0 BDADLO O=C(NC/C=C\Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000891202796 582628094 /nfs/dbraw/zinc/62/80/94/582628094.db2.gz VHFCBRMPEJMMIF-MBMUTDPPSA-N 1 2 239.706 1.314 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2nncn2C)ccn1 ZINC000494788143 533893766 /nfs/dbraw/zinc/89/37/66/533893766.db2.gz PBHJXZXEZBTMOI-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CCOC(=O)[C@H](C)N(C)Cc1[nH+]cc(C)n1C ZINC000342796860 535618944 /nfs/dbraw/zinc/61/89/44/535618944.db2.gz BYDFXNHMZCEFMX-JTQLQIEISA-N 1 2 239.319 1.112 20 0 BDADLO C[C@H]1CN=C(NC(=O)C=Cc2c[nH]c[nH+]2)S1 ZINC000493093840 534004004 /nfs/dbraw/zinc/00/40/04/534004004.db2.gz KHUNPPWAZPJEPO-AIYRYJHASA-N 1 2 236.300 1.030 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000182896428 535637417 /nfs/dbraw/zinc/63/74/17/535637417.db2.gz IDKFTWLYWLGUGZ-VXGBXAGGSA-N 1 2 242.363 1.117 20 0 BDADLO C[C@H](O)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493858598 534047581 /nfs/dbraw/zinc/04/75/81/534047581.db2.gz SPOZRGOMPSXMGQ-PBKGFPTLSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H]1C[C@@H](CO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493774634 534085623 /nfs/dbraw/zinc/08/56/23/534085623.db2.gz DIYAGZANDVAOAM-ZNRGBCAMSA-N 1 2 249.314 1.042 20 0 BDADLO COC(=O)NCCNc1[nH+]ccc(C)c1Cl ZINC000495916664 534122507 /nfs/dbraw/zinc/12/25/07/534122507.db2.gz YMATZVITAKVHKC-UHFFFAOYSA-N 1 2 243.694 1.811 20 0 BDADLO C[C@@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493293863 534156757 /nfs/dbraw/zinc/15/67/57/534156757.db2.gz MCMXKOLKIVSCNQ-WWQCOOJYSA-N 1 2 219.288 1.824 20 0 BDADLO CCc1cc(N[C@@H](C)CO)nc(CC)[nH+]1 ZINC000891685281 582710303 /nfs/dbraw/zinc/71/03/03/582710303.db2.gz XAQFELNCQDSOBD-QMMMGPOBSA-N 1 2 209.293 1.394 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCCS1)C(=O)OC ZINC000168388673 535911796 /nfs/dbraw/zinc/91/17/96/535911796.db2.gz HFOARKQAEUQYJA-BDAKNGLRSA-N 1 2 217.334 1.423 20 0 BDADLO COCCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000891848989 582729468 /nfs/dbraw/zinc/72/94/68/582729468.db2.gz BKQKJFYKRDZFAO-JTQLQIEISA-N 1 2 224.304 1.973 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCn1cc(Cl)cn1 ZINC000459441617 534224061 /nfs/dbraw/zinc/22/40/61/534224061.db2.gz KYACBEACMCSNSU-MRVPVSSYSA-N 1 2 245.710 1.030 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000459441617 534224062 /nfs/dbraw/zinc/22/40/62/534224062.db2.gz KYACBEACMCSNSU-MRVPVSSYSA-N 1 2 245.710 1.030 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348220870 536103977 /nfs/dbraw/zinc/10/39/77/536103977.db2.gz CUIIFKIEBOKMTE-WCQGTBRESA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348220870 536103979 /nfs/dbraw/zinc/10/39/79/536103979.db2.gz CUIIFKIEBOKMTE-WCQGTBRESA-N 1 2 241.331 1.437 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H]1C ZINC000493273424 534275705 /nfs/dbraw/zinc/27/57/05/534275705.db2.gz XXAHQEHPGRPHOP-HUGTUPKYSA-N 1 2 205.261 1.290 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000492867438 534276647 /nfs/dbraw/zinc/27/66/47/534276647.db2.gz XJECWJKZLGMPHS-UMBAGQNISA-N 1 2 235.287 1.060 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)CO1 ZINC000492821881 534277229 /nfs/dbraw/zinc/27/72/29/534277229.db2.gz FVDSWRIKSZAULG-HWKXXFMVSA-N 1 2 235.287 1.059 20 0 BDADLO CCc1nsc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000538935901 517873121 /nfs/dbraw/zinc/87/31/21/517873121.db2.gz MZRRLINUVVZXOT-UHFFFAOYSA-N 1 2 235.316 1.358 20 0 BDADLO NC(=O)c1coc(C[NH2+]Cc2cncc(F)c2)c1 ZINC000494445177 534520579 /nfs/dbraw/zinc/52/05/79/534520579.db2.gz IEOAEJYGFDAQLF-UHFFFAOYSA-N 1 2 249.245 1.202 20 0 BDADLO Cc1cccc(CC[NH+]2CC3(C2)CNC(=O)O3)c1 ZINC000496110768 534692588 /nfs/dbraw/zinc/69/25/88/534692588.db2.gz YEFQBNPTUNKMDR-UHFFFAOYSA-N 1 2 246.310 1.332 20 0 BDADLO CC(=O)Nc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000078779831 534743979 /nfs/dbraw/zinc/74/39/79/534743979.db2.gz HKKBLMJWWRPYLL-UHFFFAOYSA-N 1 2 244.298 1.991 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@H]1C1CC1 ZINC000493728412 534787467 /nfs/dbraw/zinc/78/74/67/534787467.db2.gz UODQBMIDBYCHDB-FSIBCCDJSA-N 1 2 217.272 1.434 20 0 BDADLO O=C1N[C@H](CSc2[nH+]cc3ccccn32)CO1 ZINC000496596476 534797336 /nfs/dbraw/zinc/79/73/36/534797336.db2.gz QBDDOOZZWGCSJK-QMMMGPOBSA-N 1 2 249.295 1.535 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(C2CCC2)C1 ZINC000493162581 534801447 /nfs/dbraw/zinc/80/14/47/534801447.db2.gz JVHRAVWHWRCPIG-PLNGDYQASA-N 1 2 231.299 1.681 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H](F)C1 ZINC000493240204 534802977 /nfs/dbraw/zinc/80/29/77/534802977.db2.gz ODGUXPIJAGKACU-YVDHIRPGSA-N 1 2 237.278 1.820 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC=CCC1 ZINC000493642070 534803797 /nfs/dbraw/zinc/80/37/97/534803797.db2.gz ASTYAFLBVDZTII-JYESYGNLSA-N 1 2 217.272 1.648 20 0 BDADLO CN(C)c1cc(NC[C@](C)(O)C2CC2)nc[nH+]1 ZINC000892482758 582896162 /nfs/dbraw/zinc/89/61/62/582896162.db2.gz WUYFGMOZIJBPRZ-LBPRGKRZSA-N 1 2 236.319 1.116 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335546974 534916077 /nfs/dbraw/zinc/91/60/77/534916077.db2.gz AMNNTQPEDYDGDL-MNOVXSKESA-N 1 2 247.342 1.608 20 0 BDADLO CC(C)(C)OCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493115419 526553160 /nfs/dbraw/zinc/55/31/60/526553160.db2.gz AGISLWRFEZYVLO-SNAWJCMRSA-N 1 2 237.303 1.354 20 0 BDADLO COC(=O)[C@@H]1CC12CCN(c1cccc[nH+]1)CC2 ZINC000265046481 536461785 /nfs/dbraw/zinc/46/17/85/536461785.db2.gz KXIXQFQKMKZDJL-NSHDSACASA-N 1 2 246.310 1.861 20 0 BDADLO C[N@H+](Cc1ccc(Cl)cn1)[C@H]1CCNC1=O ZINC000335613415 536468171 /nfs/dbraw/zinc/46/81/71/536468171.db2.gz LNECWWGTPPVOOR-JTQLQIEISA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)cn1)[C@H]1CCNC1=O ZINC000335613415 536468175 /nfs/dbraw/zinc/46/81/75/536468175.db2.gz LNECWWGTPPVOOR-JTQLQIEISA-N 1 2 239.706 1.055 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492661391 527550105 /nfs/dbraw/zinc/55/01/05/527550105.db2.gz GXUHJOJPOSIBND-DUMNWFOQSA-N 1 2 247.342 1.916 20 0 BDADLO CCCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493679902 527719849 /nfs/dbraw/zinc/71/98/49/527719849.db2.gz XRUYTFAVBUWCDV-AATRIKPKSA-N 1 2 219.288 1.824 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cccn1CC ZINC000494933509 527726320 /nfs/dbraw/zinc/72/63/20/527726320.db2.gz FTFRDLTVSKQEFE-LLVKDONJSA-N 1 2 238.331 1.891 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccn1CC ZINC000494933509 527726324 /nfs/dbraw/zinc/72/63/24/527726324.db2.gz FTFRDLTVSKQEFE-LLVKDONJSA-N 1 2 238.331 1.891 20 0 BDADLO CCC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492857295 527766853 /nfs/dbraw/zinc/76/68/53/527766853.db2.gz DEMKPDPNTLEOHE-ZYOFXKKJSA-N 1 2 249.314 1.450 20 0 BDADLO CCCN(C(=O)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000505393991 527772155 /nfs/dbraw/zinc/77/21/55/527772155.db2.gz GCUIXPJUIAWBJQ-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866980 527907819 /nfs/dbraw/zinc/90/78/19/527907819.db2.gz QZMWPVSWNMFQOH-QMAVJUDZSA-N 1 2 237.303 1.090 20 0 BDADLO CCN(CC(C)(C)O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492824337 527947089 /nfs/dbraw/zinc/94/70/89/527947089.db2.gz QDKSMLJQSXKMSP-WAYWQWQTSA-N 1 2 237.303 1.042 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493698689 528076262 /nfs/dbraw/zinc/07/62/62/528076262.db2.gz UNFFOBVGRDOCRP-XCPMARJRSA-N 1 2 235.287 1.107 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492890895 528135366 /nfs/dbraw/zinc/13/53/66/528135366.db2.gz CENJFORLWANRLV-FSIBCCDJSA-N 1 2 231.299 1.848 20 0 BDADLO CC(C)SCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493514626 528315152 /nfs/dbraw/zinc/31/51/52/528315152.db2.gz BWAKDGNILXTUBQ-ONEGZZNKSA-N 1 2 239.344 1.681 20 0 BDADLO CCC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492857292 528386512 /nfs/dbraw/zinc/38/65/12/528386512.db2.gz DEMKPDPNTLEOHE-ITKZLYELSA-N 1 2 249.314 1.450 20 0 BDADLO CCO/C=C\C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000493464862 528519733 /nfs/dbraw/zinc/51/97/33/528519733.db2.gz WWMANZMYPGEUON-SREVYHEPSA-N 1 2 237.303 1.620 20 0 BDADLO CCO/C=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000493851679 528519895 /nfs/dbraw/zinc/51/98/95/528519895.db2.gz UNUCNIBUVJIHIL-YVMONPNESA-N 1 2 223.276 1.311 20 0 BDADLO CCOC1CN(C(=O)/C=C/c2[nH+]ccn2CC)C1 ZINC000493349867 528533879 /nfs/dbraw/zinc/53/38/79/528533879.db2.gz IIYYRTZVRTZBAY-AATRIKPKSA-N 1 2 249.314 1.164 20 0 BDADLO CCO/C=C\C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000493698753 528536523 /nfs/dbraw/zinc/53/65/23/528536523.db2.gz UWDZFHITFSTKMH-ABRRARGCSA-N 1 2 237.303 1.630 20 0 BDADLO CCCc1cc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH][nH]1 ZINC000492814283 528562829 /nfs/dbraw/zinc/56/28/29/528562829.db2.gz UFWCAODRFCKTSF-SNAWJCMRSA-N 1 2 245.286 1.159 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811036 528701362 /nfs/dbraw/zinc/70/13/62/528701362.db2.gz JQXOQDNUICXZRO-BYCRGOAPSA-N 1 2 219.288 1.680 20 0 BDADLO CC/C=C\CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493423376 528792692 /nfs/dbraw/zinc/79/26/92/528792692.db2.gz AXXQRRBVHCRTGU-DNVGVPOPSA-N 1 2 205.261 1.505 20 0 BDADLO CCC[C@@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000174747008 528873590 /nfs/dbraw/zinc/87/35/90/528873590.db2.gz LJKPNMCPCWDXTI-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000492842827 528874711 /nfs/dbraw/zinc/87/47/11/528874711.db2.gz ALLZRZQOKVUTRV-NXEZZACHSA-N 1 2 238.335 1.959 20 0 BDADLO CC1(C)C(NC(=O)/C=C/c2[nH]cc[nH+]2)C1(C)C ZINC000493197013 528875016 /nfs/dbraw/zinc/87/50/16/528875016.db2.gz XYNQVXAVNWNLRB-AATRIKPKSA-N 1 2 233.315 1.974 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000488211934 528981620 /nfs/dbraw/zinc/98/16/20/528981620.db2.gz PMTNLIJBQXQOOB-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000492842829 529005441 /nfs/dbraw/zinc/00/54/41/529005441.db2.gz ALLZRZQOKVUTRV-VHSXEESVSA-N 1 2 238.335 1.959 20 0 BDADLO CCN1CC[N@H+](CCOC(C)(C)C)[C@H](C)C1=O ZINC000495211621 529146193 /nfs/dbraw/zinc/14/61/93/529146193.db2.gz NTKSKEMBPYYRLD-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CCN1CC[N@@H+](CCOC(C)(C)C)[C@H](C)C1=O ZINC000495211621 529146194 /nfs/dbraw/zinc/14/61/94/529146194.db2.gz NTKSKEMBPYYRLD-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493719694 529202741 /nfs/dbraw/zinc/20/27/41/529202741.db2.gz ITXZVEPRJNBUOL-FQNVXPIYSA-N 1 2 221.304 1.974 20 0 BDADLO CC[C@H]1CC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000488201906 529239029 /nfs/dbraw/zinc/23/90/29/529239029.db2.gz NIEXPSMNMBXUNX-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CC[C@H]1CC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000488201906 529239032 /nfs/dbraw/zinc/23/90/32/529239032.db2.gz NIEXPSMNMBXUNX-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CC[C@@H]1CC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000488201905 529327128 /nfs/dbraw/zinc/32/71/28/529327128.db2.gz NIEXPSMNMBXUNX-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000488201905 529327129 /nfs/dbraw/zinc/32/71/29/529327129.db2.gz NIEXPSMNMBXUNX-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO CC[C@](C)(CCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493284593 529355037 /nfs/dbraw/zinc/35/50/37/529355037.db2.gz BPPWTEQOPISLGR-ZYOFXKKJSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164340268 534963674 /nfs/dbraw/zinc/96/36/74/534963674.db2.gz PHNXHOCFKZLVHW-LBPRGKRZSA-N 1 2 225.336 1.687 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334316767 534983109 /nfs/dbraw/zinc/98/31/09/534983109.db2.gz SYWPQTRFNJSEJM-SNVBAGLBSA-N 1 2 221.304 1.312 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348188042 535177338 /nfs/dbraw/zinc/17/73/38/535177338.db2.gz JMKZBJKXPOTHCC-MRXNPFEDSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348188042 535177340 /nfs/dbraw/zinc/17/73/40/535177340.db2.gz JMKZBJKXPOTHCC-MRXNPFEDSA-N 1 2 247.404 1.502 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263063801 535313495 /nfs/dbraw/zinc/31/34/95/535313495.db2.gz VSWYHKHAXVIRTB-QMMMGPOBSA-N 1 2 232.274 1.242 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335546973 535366783 /nfs/dbraw/zinc/36/67/83/535366783.db2.gz AMNNTQPEDYDGDL-GHMZBOCLSA-N 1 2 247.342 1.608 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178831115 535545888 /nfs/dbraw/zinc/54/58/88/535545888.db2.gz IHJRFOVNHRKMGF-MNOVXSKESA-N 1 2 235.331 1.702 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352017368 535672961 /nfs/dbraw/zinc/67/29/61/535672961.db2.gz GIAIOMCVUKFJAB-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO CCOC(=O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352017368 535672967 /nfs/dbraw/zinc/67/29/67/535672967.db2.gz GIAIOMCVUKFJAB-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000334353236 535868852 /nfs/dbraw/zinc/86/88/52/535868852.db2.gz XZWARAJLEIDDME-STQMWFEESA-N 1 2 235.331 1.656 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000334353236 535868857 /nfs/dbraw/zinc/86/88/57/535868857.db2.gz XZWARAJLEIDDME-STQMWFEESA-N 1 2 235.331 1.656 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000335579469 535905728 /nfs/dbraw/zinc/90/57/28/535905728.db2.gz KMUTZWHRBMTZFO-HTQZYQBOSA-N 1 2 206.245 1.194 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000342575828 535931571 /nfs/dbraw/zinc/93/15/71/535931571.db2.gz RMHKDXZGYCBWLJ-BXKDBHETSA-N 1 2 221.304 1.473 20 0 BDADLO CCc1cnccc1CNc1cc[nH+]c(C)n1 ZINC000351880276 536081791 /nfs/dbraw/zinc/08/17/91/536081791.db2.gz RRCBDGQMUMRSQX-UHFFFAOYSA-N 1 2 228.299 1.776 20 0 BDADLO CCc1cc(N2CCOC[C@H]2C)nc(C)[nH+]1 ZINC000265987658 536147026 /nfs/dbraw/zinc/14/70/26/536147026.db2.gz HSIZPJRILAZQRB-SECBINFHSA-N 1 2 221.304 1.573 20 0 BDADLO CCc1cc(N2CCO[C@@H](C)[C@@H]2C)nc(C)[nH+]1 ZINC000272917032 536147924 /nfs/dbraw/zinc/14/79/24/536147924.db2.gz SNKILJYTEKANOQ-UWVGGRQHSA-N 1 2 235.331 1.961 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CC1(SC)CC1 ZINC000227936444 536637253 /nfs/dbraw/zinc/63/72/53/536637253.db2.gz GUCUEEANYLNUKC-ZETCQYMHSA-N 1 2 203.307 1.033 20 0 BDADLO COC(=O)[C@H]([NH2+]C1C(C)(C)C1(C)C)C1CC1 ZINC000227770909 536733295 /nfs/dbraw/zinc/73/32/95/536733295.db2.gz OVQFEKQPMSWLSJ-SECBINFHSA-N 1 2 225.332 1.962 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cncnc1 ZINC000260179876 536766434 /nfs/dbraw/zinc/76/64/34/536766434.db2.gz UGACMRYBZMDLAY-GFCCVEGCSA-N 1 2 249.314 1.394 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cncnc1 ZINC000260179876 536766440 /nfs/dbraw/zinc/76/64/40/536766440.db2.gz UGACMRYBZMDLAY-GFCCVEGCSA-N 1 2 249.314 1.394 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1(C)C ZINC000336209363 536826463 /nfs/dbraw/zinc/82/64/63/536826463.db2.gz WEHFHJWIQSCNDI-UWVGGRQHSA-N 1 2 237.303 1.261 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000351517261 536834052 /nfs/dbraw/zinc/83/40/52/536834052.db2.gz JIGINQPQMLUHOG-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000351517261 536834053 /nfs/dbraw/zinc/83/40/53/536834053.db2.gz JIGINQPQMLUHOG-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO c1ccc2[nH+]c(N3C[C@@H]4COC[C@H](C3)O4)[nH]c2c1 ZINC000328829960 537970199 /nfs/dbraw/zinc/97/01/99/537970199.db2.gz UTGHOVJXMMBVII-AOOOYVTPSA-N 1 2 245.282 1.167 20 0 BDADLO C[C@H](CCCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892883874 583004872 /nfs/dbraw/zinc/00/48/72/583004872.db2.gz QTZNZEXYHVLMMK-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO c1[nH]cc(CCc2nc(-c3cnccn3)no2)[nH+]1 ZINC000438827098 566372751 /nfs/dbraw/zinc/37/27/51/566372751.db2.gz QLOKBJITRLDYFA-UHFFFAOYSA-N 1 2 242.242 1.035 20 0 BDADLO c1[nH]c(CCc2nc(-c3cnccn3)no2)c[nH+]1 ZINC000438827098 566372764 /nfs/dbraw/zinc/37/27/64/566372764.db2.gz QLOKBJITRLDYFA-UHFFFAOYSA-N 1 2 242.242 1.035 20 0 BDADLO C[C@@H](CCCO)CNc1cc(N(C)C)nc[nH+]1 ZINC000894029801 583282108 /nfs/dbraw/zinc/28/21/08/583282108.db2.gz IJMXEFFHLIUDEB-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO C[C@@H](CCCO)CNc1cc(N(C)C)[nH+]cn1 ZINC000894029801 583282110 /nfs/dbraw/zinc/28/21/10/583282110.db2.gz IJMXEFFHLIUDEB-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO O=C(Cc1cscn1)OCCn1cc[nH+]c1 ZINC000853119914 588721855 /nfs/dbraw/zinc/72/18/55/588721855.db2.gz ODNYOJDJCMJYDO-UHFFFAOYSA-N 1 2 237.284 1.126 20 0 BDADLO COC[C@H]1CC[N@@H+]1CN1CC[C@@H](C(C)C)C1=O ZINC000853513304 588747044 /nfs/dbraw/zinc/74/70/44/588747044.db2.gz CCDGVPCHGZGOGW-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@H]1CC[N@H+]1CN1CC[C@@H](C(C)C)C1=O ZINC000853513304 588747045 /nfs/dbraw/zinc/74/70/45/588747045.db2.gz CCDGVPCHGZGOGW-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1CN1CCCC1=O ZINC000853542085 588747975 /nfs/dbraw/zinc/74/79/75/588747975.db2.gz LMWXWCGNKVRRFR-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1CN1CCCC1=O ZINC000853542085 588747976 /nfs/dbraw/zinc/74/79/76/588747976.db2.gz LMWXWCGNKVRRFR-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[N@@H+](CC1=CCCOC1)Cn1cc[nH]c1=S ZINC000853562427 588748959 /nfs/dbraw/zinc/74/89/59/588748959.db2.gz ORAZKTYNTYYYKF-UHFFFAOYSA-N 1 2 239.344 1.408 20 0 BDADLO C[N@H+](CC1=CCCOC1)Cn1cc[nH]c1=S ZINC000853562427 588748960 /nfs/dbraw/zinc/74/89/60/588748960.db2.gz ORAZKTYNTYYYKF-UHFFFAOYSA-N 1 2 239.344 1.408 20 0 BDADLO COC(=O)C1(CO[NH+]=C(N)c2ccccc2)CC1 ZINC000853637189 588751423 /nfs/dbraw/zinc/75/14/23/588751423.db2.gz PZBDBTMVMDPBDW-UHFFFAOYSA-N 1 2 248.282 1.486 20 0 BDADLO Cc1nn(C[NH+]2CCC(C(C)C)CC2)c(=O)o1 ZINC000853499216 588746357 /nfs/dbraw/zinc/74/63/57/588746357.db2.gz URMSBSCJGMHAIN-UHFFFAOYSA-N 1 2 239.319 1.470 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cc(C2CC2)no1 ZINC000853674454 588754899 /nfs/dbraw/zinc/75/48/99/588754899.db2.gz ZIXPXUAWCJXYRC-SSDOTTSWSA-N 1 2 239.275 1.585 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853674129 588754976 /nfs/dbraw/zinc/75/49/76/588754976.db2.gz SINRDMVRXKTQQL-DOLQZWNJSA-N 1 2 212.293 1.566 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2COCO2)[nH+]1 ZINC000853687748 588756561 /nfs/dbraw/zinc/75/65/61/588756561.db2.gz ZSJQHTKUDAKPMH-MRVPVSSYSA-N 1 2 234.259 1.051 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)C1CCC1 ZINC000853699100 588757722 /nfs/dbraw/zinc/75/77/22/588757722.db2.gz WWCFZABXTWWYOF-MNOVXSKESA-N 1 2 242.319 1.479 20 0 BDADLO CC(C)c1nc(NC/C=C\CO)cc[nH+]1 ZINC000853794064 588763750 /nfs/dbraw/zinc/76/37/50/588763750.db2.gz MABUINZLJCSQSK-ARJAWSKDSA-N 1 2 207.277 1.560 20 0 BDADLO Cc1nnc(CN(C)c2cc[nH+]c(C(C)C)n2)o1 ZINC000853814873 588764510 /nfs/dbraw/zinc/76/45/10/588764510.db2.gz FHSYNICZIKEUOW-UHFFFAOYSA-N 1 2 247.302 1.928 20 0 BDADLO CC(C)c1nc(NC2([C@H](C)O)CC2)cc[nH+]1 ZINC000853931065 588769373 /nfs/dbraw/zinc/76/93/73/588769373.db2.gz STZSHBPOOXQUCF-VIFPVBQESA-N 1 2 221.304 1.925 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@H+]([C@@H]2CCOC2=O)C1 ZINC000854056206 588772563 /nfs/dbraw/zinc/77/25/63/588772563.db2.gz BKTYWRPTLPDUSU-LLVKDONJSA-N 1 2 249.314 1.110 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000854056206 588772564 /nfs/dbraw/zinc/77/25/64/588772564.db2.gz BKTYWRPTLPDUSU-LLVKDONJSA-N 1 2 249.314 1.110 20 0 BDADLO c1n[nH]c2c1C[N@@H+](C[C@H]1CCCOC1)CCC2 ZINC000854055871 588772643 /nfs/dbraw/zinc/77/26/43/588772643.db2.gz XVZSDTZDBXXWJU-LLVKDONJSA-N 1 2 235.331 1.585 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854097096 588774638 /nfs/dbraw/zinc/77/46/38/588774638.db2.gz ZQPIITVWPXDWFX-TVQRCGJNSA-N 1 2 248.330 1.816 20 0 BDADLO C[C@H](NC(=O)NOCC1CC1)c1[nH+]ccn1C ZINC000854092339 588774722 /nfs/dbraw/zinc/77/47/22/588774722.db2.gz SDRRKQPPQYFIJT-QMMMGPOBSA-N 1 2 238.291 1.122 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(C2(C)CC2)no1 ZINC000854159689 588777234 /nfs/dbraw/zinc/77/72/34/588777234.db2.gz DBTAJAQJUYSIMV-QMMMGPOBSA-N 1 2 225.292 1.546 20 0 BDADLO CN(Cc1cccs1)C(=O)Cc1[nH]cc[nH+]1 ZINC000854229296 588780905 /nfs/dbraw/zinc/78/09/05/588780905.db2.gz KNFHKMZFBVNDHD-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO CC(C)(CNC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000854365774 588785175 /nfs/dbraw/zinc/78/51/75/588785175.db2.gz VFMZNFXSOHJASI-UHFFFAOYSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCC1(F)F ZINC000854502005 588789705 /nfs/dbraw/zinc/78/97/05/588789705.db2.gz TUEYTTDEXGRYHW-MRVPVSSYSA-N 1 2 243.257 1.456 20 0 BDADLO Cc1ccoc1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854605847 588796967 /nfs/dbraw/zinc/79/69/67/588796967.db2.gz YHSAHIFDBNYFRB-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CCc1nc(C)c(CNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000854608318 588797068 /nfs/dbraw/zinc/79/70/68/588797068.db2.gz ACPSELLOOBKPEL-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000854747154 588804993 /nfs/dbraw/zinc/80/49/93/588804993.db2.gz AJNMKOOPGLIPBE-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOC1CCC1 ZINC000854752662 588805318 /nfs/dbraw/zinc/80/53/18/588805318.db2.gz IZRYWMLFAFPXRD-NXEZZACHSA-N 1 2 235.287 1.124 20 0 BDADLO CCO[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854892501 588815639 /nfs/dbraw/zinc/81/56/39/588815639.db2.gz XFOQGXGINLUINY-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO COc1cccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000855134162 588822659 /nfs/dbraw/zinc/82/26/59/588822659.db2.gz HFWOIRNWFQLTCP-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO COc1cccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000855134162 588822660 /nfs/dbraw/zinc/82/26/60/588822660.db2.gz HFWOIRNWFQLTCP-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C/C1CC1 ZINC000855134387 588822709 /nfs/dbraw/zinc/82/27/09/588822709.db2.gz MLHFBEKLTIMEJO-SNAWJCMRSA-N 1 2 205.261 1.334 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C/C1CC1 ZINC000855134387 588822710 /nfs/dbraw/zinc/82/27/10/588822710.db2.gz MLHFBEKLTIMEJO-SNAWJCMRSA-N 1 2 205.261 1.334 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)COC1(C)CCC1 ZINC000855135944 588823292 /nfs/dbraw/zinc/82/32/92/588823292.db2.gz JKUDXXCYZXHFQX-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)COC1(C)CCC1 ZINC000855135944 588823293 /nfs/dbraw/zinc/82/32/93/588823293.db2.gz JKUDXXCYZXHFQX-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCC1=C(C(=O)N(C)Cc2c[nH+]c[nH]2)CCCO1 ZINC000855136261 588823303 /nfs/dbraw/zinc/82/33/03/588823303.db2.gz NZXYKYYIIQKICY-UHFFFAOYSA-N 1 2 249.314 1.843 20 0 BDADLO CCC1=C(C(=O)N(C)Cc2c[nH]c[nH+]2)CCCO1 ZINC000855136261 588823304 /nfs/dbraw/zinc/82/33/04/588823304.db2.gz NZXYKYYIIQKICY-UHFFFAOYSA-N 1 2 249.314 1.843 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000859765606 582495987 /nfs/dbraw/zinc/49/59/87/582495987.db2.gz LGHSKDHPCAUGKW-SNVBAGLBSA-N 1 2 240.303 1.223 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cnn(C)n2)oc1C ZINC000806167151 582515735 /nfs/dbraw/zinc/51/57/35/582515735.db2.gz MJCWDGYFLDBRLH-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000890764671 582541952 /nfs/dbraw/zinc/54/19/52/582541952.db2.gz YBOAGNCQTNGLQV-KPYDUXRZSA-N 1 2 245.326 1.904 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000855427905 588834278 /nfs/dbraw/zinc/83/42/78/588834278.db2.gz PMGSPBIBVVMWIN-WDEREUQCSA-N 1 2 231.299 1.280 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000855432736 588835526 /nfs/dbraw/zinc/83/55/26/588835526.db2.gz NJPZDDLPQOLUNA-WDEREUQCSA-N 1 2 231.299 1.280 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C=CCC1 ZINC000855434513 588836280 /nfs/dbraw/zinc/83/62/80/588836280.db2.gz LUGAKTGTGAAMNW-LLVKDONJSA-N 1 2 245.326 1.597 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccccc1 ZINC000145596630 582580715 /nfs/dbraw/zinc/58/07/15/582580715.db2.gz LSZQYFXYPCLXJT-UHFFFAOYSA-N 1 2 201.229 1.591 20 0 BDADLO O=C(NC/C=C/Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC000891204691 582630461 /nfs/dbraw/zinc/63/04/61/582630461.db2.gz KKDJBZJOQXTYIX-ARLXTTGXSA-N 1 2 239.706 1.314 20 0 BDADLO C[C@@H](O)c1cccc(NCCCn2cc[nH+]c2)n1 ZINC000891409021 582679568 /nfs/dbraw/zinc/67/95/68/582679568.db2.gz OAYUCRFFUHTJBM-LLVKDONJSA-N 1 2 246.314 1.834 20 0 BDADLO c1cn(CCCNc2nccn3c[nH+]cc23)cn1 ZINC000891409410 582679845 /nfs/dbraw/zinc/67/98/45/582679845.db2.gz RECKUEYJCHSRSP-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO c1cn(CCCNc2cccc3nncn32)c[nH+]1 ZINC000891408981 582679855 /nfs/dbraw/zinc/67/98/55/582679855.db2.gz NKMQWQUTSANPND-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO COCc1nccc(NCCCn2cc[nH+]c2)n1 ZINC000891409870 582680212 /nfs/dbraw/zinc/68/02/12/582680212.db2.gz VYXOHGOGACVIBJ-UHFFFAOYSA-N 1 2 247.302 1.322 20 0 BDADLO CN(Cc1ccco1)c1nc(N)[nH+]c(C2CC2)n1 ZINC000891493909 582693264 /nfs/dbraw/zinc/69/32/64/582693264.db2.gz ZSOYGEZNDINLHH-UHFFFAOYSA-N 1 2 245.286 1.561 20 0 BDADLO CN(Cc1ccco1)c1nc(N)nc(C2CC2)[nH+]1 ZINC000891493909 582693266 /nfs/dbraw/zinc/69/32/66/582693266.db2.gz ZSOYGEZNDINLHH-UHFFFAOYSA-N 1 2 245.286 1.561 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnn(C)c2)c(C)n1 ZINC000891509869 582693742 /nfs/dbraw/zinc/69/37/42/582693742.db2.gz QDRPHHUSVLUZMU-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnn(C)c2)c(C)n1 ZINC000891509869 582693744 /nfs/dbraw/zinc/69/37/44/582693744.db2.gz QDRPHHUSVLUZMU-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO C[C@H](O)c1cccc(NCCn2cc[nH+]c2)n1 ZINC000891516711 582694798 /nfs/dbraw/zinc/69/47/98/582694798.db2.gz OHLFIHFJFPQCFT-JTQLQIEISA-N 1 2 232.287 1.444 20 0 BDADLO CCNC(=O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891558196 582697402 /nfs/dbraw/zinc/69/74/02/582697402.db2.gz AFPPASZAJFUAGK-UHFFFAOYSA-N 1 2 248.330 1.601 20 0 BDADLO CCc1cc(NC(C)(C)CO)nc(CC)[nH+]1 ZINC000891592157 582700529 /nfs/dbraw/zinc/70/05/29/582700529.db2.gz NXDLJHOLAPHFOR-UHFFFAOYSA-N 1 2 223.320 1.784 20 0 BDADLO Cc1cc(N[C@H](C)C(N)=O)nc(C2CCC2)[nH+]1 ZINC000891615136 582701748 /nfs/dbraw/zinc/70/17/48/582701748.db2.gz QUIIOLODOXMSFC-MRVPVSSYSA-N 1 2 234.303 1.338 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000891717205 582713577 /nfs/dbraw/zinc/71/35/77/582713577.db2.gz ZIEUHZXCHIQGPG-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000891717205 582713578 /nfs/dbraw/zinc/71/35/78/582713578.db2.gz ZIEUHZXCHIQGPG-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO COC[C@@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000892025796 582764499 /nfs/dbraw/zinc/76/44/99/582764499.db2.gz WMTMDWASDIWTED-VIFPVBQESA-N 1 2 224.308 1.237 20 0 BDADLO COC[C@@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000892025796 582764501 /nfs/dbraw/zinc/76/45/01/582764501.db2.gz WMTMDWASDIWTED-VIFPVBQESA-N 1 2 224.308 1.237 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)CC(C)(C)O1 ZINC000892024822 582764630 /nfs/dbraw/zinc/76/46/30/582764630.db2.gz GTLYDTCXNFQZGA-SNVBAGLBSA-N 1 2 246.314 1.733 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2c3c(nn2C)CCC3)[C@@H]1C ZINC000892048059 582773577 /nfs/dbraw/zinc/77/35/77/582773577.db2.gz GZBNKYNAVMGTRT-GHMZBOCLSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2c3c(nn2C)CCC3)[C@@H]1C ZINC000892048059 582773580 /nfs/dbraw/zinc/77/35/80/582773580.db2.gz GZBNKYNAVMGTRT-GHMZBOCLSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nccn1C1CC1 ZINC000892066606 582782791 /nfs/dbraw/zinc/78/27/91/582782791.db2.gz XCUYRXBOJMSGHL-JTQLQIEISA-N 1 2 223.320 1.421 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nccn1C1CC1 ZINC000892066606 582782792 /nfs/dbraw/zinc/78/27/92/582782792.db2.gz XCUYRXBOJMSGHL-JTQLQIEISA-N 1 2 223.320 1.421 20 0 BDADLO C[C@@H](O)c1cccc(NCC(C)(C)O)[nH+]1 ZINC000892308557 582834476 /nfs/dbraw/zinc/83/44/76/582834476.db2.gz PTNXXDDEZVUIGQ-MRVPVSSYSA-N 1 2 210.277 1.318 20 0 BDADLO CCn1cnn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000725777201 582848302 /nfs/dbraw/zinc/84/83/02/582848302.db2.gz DIJWMWBDVCQQBM-VIFPVBQESA-N 1 2 226.349 1.733 20 0 BDADLO CCn1cnn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000725777201 582848303 /nfs/dbraw/zinc/84/83/03/582848303.db2.gz DIJWMWBDVCQQBM-VIFPVBQESA-N 1 2 226.349 1.733 20 0 BDADLO C[C@@H]1CC[N@H+](CN2c3ccccc3C(=O)C2=O)C1 ZINC000725779054 582849542 /nfs/dbraw/zinc/84/95/42/582849542.db2.gz KPCYDJZTDDFFOG-SNVBAGLBSA-N 1 2 244.294 1.515 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2c3ccccc3C(=O)C2=O)C1 ZINC000725779054 582849544 /nfs/dbraw/zinc/84/95/44/582849544.db2.gz KPCYDJZTDDFFOG-SNVBAGLBSA-N 1 2 244.294 1.515 20 0 BDADLO COCCO[NH+]=C(N)c1cccc(F)c1 ZINC000725793957 582857078 /nfs/dbraw/zinc/85/70/78/582857078.db2.gz XUTFBEDMCSVCBI-UHFFFAOYSA-N 1 2 212.224 1.319 20 0 BDADLO CN(C[C@H]1CCCOC1)c1nccn2c[nH+]cc12 ZINC000892409289 582880917 /nfs/dbraw/zinc/88/09/17/582880917.db2.gz AROMYHZWNULORG-LLVKDONJSA-N 1 2 246.314 1.592 20 0 BDADLO CN(C[C@@H]1CCCOC1)c1nccn2c[nH+]cc12 ZINC000892409290 582881229 /nfs/dbraw/zinc/88/12/29/582881229.db2.gz AROMYHZWNULORG-NSHDSACASA-N 1 2 246.314 1.592 20 0 BDADLO C[C@H](CC(=O)N(C)c1ccon1)n1cc[nH+]c1 ZINC000892458987 582892415 /nfs/dbraw/zinc/89/24/15/582892415.db2.gz PHGNBEGFKFBOKP-SECBINFHSA-N 1 2 234.259 1.485 20 0 BDADLO CN(C)c1cc(NC[C@](C)(O)C2CC2)[nH+]cn1 ZINC000892482758 582896159 /nfs/dbraw/zinc/89/61/59/582896159.db2.gz WUYFGMOZIJBPRZ-LBPRGKRZSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](O)c1cccc(N(C)Cc2cc[nH]n2)[nH+]1 ZINC000892482219 582896388 /nfs/dbraw/zinc/89/63/88/582896388.db2.gz TUCFHIYYDXOLIM-VIFPVBQESA-N 1 2 232.287 1.494 20 0 BDADLO COC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892513029 582903043 /nfs/dbraw/zinc/90/30/43/582903043.db2.gz YIRBXRIOZJMBEA-NSHDSACASA-N 1 2 246.314 1.592 20 0 BDADLO CN(C)c1cc(NCCc2cscn2)[nH+]cn1 ZINC000892597105 582924127 /nfs/dbraw/zinc/92/41/27/582924127.db2.gz OCDDOCRPNFTYCI-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO CN(C)c1cc(NCCc2cscn2)nc[nH+]1 ZINC000892597105 582924128 /nfs/dbraw/zinc/92/41/28/582924128.db2.gz OCDDOCRPNFTYCI-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO CC[C@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892649018 582938824 /nfs/dbraw/zinc/93/88/24/582938824.db2.gz JASWUKGQMMLWRJ-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CC[C@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892649018 582938827 /nfs/dbraw/zinc/93/88/27/582938827.db2.gz JASWUKGQMMLWRJ-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn3ccnc3s2)no1 ZINC000892677007 582950476 /nfs/dbraw/zinc/95/04/76/582950476.db2.gz SEDXYAIFIJAPGT-UHFFFAOYSA-N 1 2 248.311 1.982 20 0 BDADLO CCc1cc(N(C)CC[C@H](C)O)nc(CC)[nH+]1 ZINC000892686393 582955294 /nfs/dbraw/zinc/95/52/94/582955294.db2.gz KIHAVIRRCBQSAF-JTQLQIEISA-N 1 2 237.347 1.809 20 0 BDADLO CO[C@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856276457 588866686 /nfs/dbraw/zinc/86/66/86/588866686.db2.gz AXDBUTGFOVTPBN-RKDXNWHRSA-N 1 2 225.292 1.022 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)c1[nH+]ccn1C ZINC000856280062 588866813 /nfs/dbraw/zinc/86/68/13/588866813.db2.gz IKWNGXBLEVRKES-FXQIFTODSA-N 1 2 243.257 1.499 20 0 BDADLO C[C@H](NC(=O)/C=C/[C@H]1CCCO1)c1[nH+]ccn1C ZINC000856280456 588866850 /nfs/dbraw/zinc/86/68/50/588866850.db2.gz SGQWNTYAEKIGFN-PFDYWKIBSA-N 1 2 249.314 1.333 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cnon2)C[C@H]1O ZINC000851906623 582978317 /nfs/dbraw/zinc/97/83/17/582978317.db2.gz CINPWBDEPUXINI-WDEREUQCSA-N 1 2 239.319 1.299 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cnon2)C[C@H]1O ZINC000851906623 582978320 /nfs/dbraw/zinc/97/83/20/582978320.db2.gz CINPWBDEPUXINI-WDEREUQCSA-N 1 2 239.319 1.299 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CCCN(C)C2=O)[nH+]1 ZINC000892801310 582986111 /nfs/dbraw/zinc/98/61/11/582986111.db2.gz ONGGVSUKMOGMKT-KOLCDFICSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000892841670 582994023 /nfs/dbraw/zinc/99/40/23/582994023.db2.gz WFKFQGASBOBZDX-MWLCHTKSSA-N 1 2 236.319 1.408 20 0 BDADLO CCc1cc(N(CCO)C2CC2)nc(CC)[nH+]1 ZINC000892877866 583001945 /nfs/dbraw/zinc/00/19/45/583001945.db2.gz FGILSIJIGLUZMN-UHFFFAOYSA-N 1 2 235.331 1.563 20 0 BDADLO C[C@H](CCCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892883874 583004871 /nfs/dbraw/zinc/00/48/71/583004871.db2.gz QTZNZEXYHVLMMK-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO C[C@H]1COCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892971085 583023883 /nfs/dbraw/zinc/02/38/83/583023883.db2.gz NTOKZSFEDULYQT-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO C[C@H]1COCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892971085 583023884 /nfs/dbraw/zinc/02/38/84/583023884.db2.gz NTOKZSFEDULYQT-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cocn2)c1C1CC1 ZINC000892977583 583025094 /nfs/dbraw/zinc/02/50/94/583025094.db2.gz RZYNPLTZIPBGEA-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO COc1cc[nH+]cc1COC(=O)CCF ZINC000893021137 583030770 /nfs/dbraw/zinc/03/07/70/583030770.db2.gz DZBSHUKXKHGPRK-UHFFFAOYSA-N 1 2 213.208 1.493 20 0 BDADLO C[C@@H](NC(=O)C1(C2CC2)CC1)c1[nH+]ccn1C ZINC000893044809 583036152 /nfs/dbraw/zinc/03/61/52/583036152.db2.gz OIDMMKADQNSQQQ-SECBINFHSA-N 1 2 233.315 1.788 20 0 BDADLO CNc1cc(NC2COC(C)(C)OC2)nc[nH+]1 ZINC000893161210 583060132 /nfs/dbraw/zinc/06/01/32/583060132.db2.gz ANTYGPDWLZDTRS-UHFFFAOYSA-N 1 2 238.291 1.082 20 0 BDADLO CNc1cc(NC2COC(C)(C)OC2)[nH+]cn1 ZINC000893161210 583060136 /nfs/dbraw/zinc/06/01/36/583060136.db2.gz ANTYGPDWLZDTRS-UHFFFAOYSA-N 1 2 238.291 1.082 20 0 BDADLO COCCOC[C@H](C)Nc1ccc[nH+]c1C ZINC000893197119 583069689 /nfs/dbraw/zinc/06/96/89/583069689.db2.gz DXDMYDFMHCJNTM-JTQLQIEISA-N 1 2 224.304 1.853 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)CC1CC1)C(=O)OC(C)(C)C ZINC000893210712 583071968 /nfs/dbraw/zinc/07/19/68/583071968.db2.gz OFGLPKCJQPWQQC-MWLCHTKSSA-N 1 2 243.347 1.467 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000893230802 583075522 /nfs/dbraw/zinc/07/55/22/583075522.db2.gz QKWIETBOPAPWQZ-NWALNABHSA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000893230802 583075526 /nfs/dbraw/zinc/07/55/26/583075526.db2.gz QKWIETBOPAPWQZ-NWALNABHSA-N 1 2 222.292 1.257 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@@H](O)C2(C)C)[nH+]cn1 ZINC000893267902 583081166 /nfs/dbraw/zinc/08/11/66/583081166.db2.gz YBXZVZYJXBUMSF-DTWKUNHWSA-N 1 2 236.319 1.114 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000893267902 583081168 /nfs/dbraw/zinc/08/11/68/583081168.db2.gz YBXZVZYJXBUMSF-DTWKUNHWSA-N 1 2 236.319 1.114 20 0 BDADLO C[C@H](O)c1cccc(NCC2(CCO)CC2)[nH+]1 ZINC000893283595 583085197 /nfs/dbraw/zinc/08/51/97/583085197.db2.gz WBCADBYTAMNEBL-JTQLQIEISA-N 1 2 236.315 1.709 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC12CCC(CC1)CC2 ZINC000854827649 583094939 /nfs/dbraw/zinc/09/49/39/583094939.db2.gz BNFIFYJANHAFAT-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO OC[C@H]([NH2+]Cc1cnccn1)c1ccsc1 ZINC000856779191 588877376 /nfs/dbraw/zinc/87/73/76/588877376.db2.gz UVJWWKLETVNHCE-NSHDSACASA-N 1 2 235.312 1.361 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000893409336 583138837 /nfs/dbraw/zinc/13/88/37/583138837.db2.gz TXZDAOPFGSDVIZ-NKWVEPMBSA-N 1 2 237.307 1.167 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000893409336 583138839 /nfs/dbraw/zinc/13/88/39/583138839.db2.gz TXZDAOPFGSDVIZ-NKWVEPMBSA-N 1 2 237.307 1.167 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893409048 583139059 /nfs/dbraw/zinc/13/90/59/583139059.db2.gz QXOIOSWLCTXLRO-LPEHRKFASA-N 1 2 224.304 1.970 20 0 BDADLO CC1CC(CNC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000856860995 588879383 /nfs/dbraw/zinc/87/93/83/588879383.db2.gz NLLHUYCBNJFMFK-ILDUYXDCSA-N 1 2 248.330 1.673 20 0 BDADLO CN(C)c1cc(NCCC2CC(O)C2)[nH+]cn1 ZINC000893499900 583154046 /nfs/dbraw/zinc/15/40/46/583154046.db2.gz WBUAQUQOADDSBS-UHFFFAOYSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NCCC2CC(O)C2)nc[nH+]1 ZINC000893499900 583154047 /nfs/dbraw/zinc/15/40/47/583154047.db2.gz WBUAQUQOADDSBS-UHFFFAOYSA-N 1 2 236.319 1.116 20 0 BDADLO CCOc1ccccc1C[N@H+](C)[C@@H]1CCOC1=O ZINC000114724882 588881260 /nfs/dbraw/zinc/88/12/60/588881260.db2.gz BHTGDIQQPBPUCD-GFCCVEGCSA-N 1 2 249.310 1.833 20 0 BDADLO CCOc1ccccc1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000114724882 588881261 /nfs/dbraw/zinc/88/12/61/588881261.db2.gz BHTGDIQQPBPUCD-GFCCVEGCSA-N 1 2 249.310 1.833 20 0 BDADLO CNc1cc(N2CCC3(CCOC3)CC2)nc[nH+]1 ZINC000893680130 583198160 /nfs/dbraw/zinc/19/81/60/583198160.db2.gz GNPCNKVPCUJFSN-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CNc1cc(N2CCC3(CCOC3)CC2)[nH+]cn1 ZINC000893680130 583198162 /nfs/dbraw/zinc/19/81/62/583198162.db2.gz GNPCNKVPCUJFSN-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO COCC[N@H+](CCF)Cc1nccnc1C ZINC000857049915 588884614 /nfs/dbraw/zinc/88/46/14/588884614.db2.gz YBQTZVBBQIBHPU-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@@H+](CCF)Cc1nccnc1C ZINC000857049915 588884615 /nfs/dbraw/zinc/88/46/15/588884615.db2.gz YBQTZVBBQIBHPU-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COC[C@](C)(NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000662184179 583211885 /nfs/dbraw/zinc/21/18/85/583211885.db2.gz MPCKWAYLHWQEQX-QMMMGPOBSA-N 1 2 237.225 1.467 20 0 BDADLO COC[C@](C)(NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000662184179 583211886 /nfs/dbraw/zinc/21/18/86/583211886.db2.gz MPCKWAYLHWQEQX-QMMMGPOBSA-N 1 2 237.225 1.467 20 0 BDADLO CNc1cc(N2CCC[C@@H]2[C@@H]2CCCO2)nc[nH+]1 ZINC000893735778 583216681 /nfs/dbraw/zinc/21/66/81/583216681.db2.gz TVXPPWKULPTJDE-MNOVXSKESA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CCC[C@@H]2[C@@H]2CCCO2)[nH+]cn1 ZINC000893735778 583216683 /nfs/dbraw/zinc/21/66/83/583216683.db2.gz TVXPPWKULPTJDE-MNOVXSKESA-N 1 2 248.330 1.666 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000893865623 583234491 /nfs/dbraw/zinc/23/44/91/583234491.db2.gz HOIRVCJRWJGXGS-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000857099922 588886992 /nfs/dbraw/zinc/88/69/92/588886992.db2.gz VNONWFDOKDZHOD-YUMQZZPRSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000857099922 588886994 /nfs/dbraw/zinc/88/69/94/588886994.db2.gz VNONWFDOKDZHOD-YUMQZZPRSA-N 1 2 237.221 1.576 20 0 BDADLO COC(=O)c1cnc(C[N@H+](C)C(C)C)s1 ZINC000893872890 583239250 /nfs/dbraw/zinc/23/92/50/583239250.db2.gz XOEBNLQPDXFINR-UHFFFAOYSA-N 1 2 228.317 1.770 20 0 BDADLO COC(=O)c1cnc(C[N@@H+](C)C(C)C)s1 ZINC000893872890 583239252 /nfs/dbraw/zinc/23/92/52/583239252.db2.gz XOEBNLQPDXFINR-UHFFFAOYSA-N 1 2 228.317 1.770 20 0 BDADLO c1csc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000893906237 583244486 /nfs/dbraw/zinc/24/44/86/583244486.db2.gz BENGWPNKMUFRLG-UHFFFAOYSA-N 1 2 206.274 1.429 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOC[C@@H]2C)c1C ZINC000893962287 583257112 /nfs/dbraw/zinc/25/71/12/583257112.db2.gz KMLXEJYNNBKYNY-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOC[C@@H]2C)c1C ZINC000893962287 583257114 /nfs/dbraw/zinc/25/71/14/583257114.db2.gz KMLXEJYNNBKYNY-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893964610 583258096 /nfs/dbraw/zinc/25/80/96/583258096.db2.gz YRGGYWQMTQEOHV-VIFPVBQESA-N 1 2 248.330 1.599 20 0 BDADLO Cc1noc([C@H](C)NCc2[nH+]ccn2C2CC2)n1 ZINC000893973726 583265063 /nfs/dbraw/zinc/26/50/63/583265063.db2.gz QLTATUFAIXGYNZ-QMMMGPOBSA-N 1 2 247.302 1.760 20 0 BDADLO OC[C@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000893997689 583269218 /nfs/dbraw/zinc/26/92/18/583269218.db2.gz RHOSNFLNIKRLHK-NSHDSACASA-N 1 2 246.314 1.328 20 0 BDADLO CO[C@H](CNc1cccc([C@H](C)O)[nH+]1)C1CC1 ZINC000893989339 583270470 /nfs/dbraw/zinc/27/04/70/583270470.db2.gz VQQXWCKNXOBAGI-JOYOIKCWSA-N 1 2 236.315 1.972 20 0 BDADLO F[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894022954 583274569 /nfs/dbraw/zinc/27/45/69/583274569.db2.gz IOMLUCHACSIPFT-QMMMGPOBSA-N 1 2 206.224 1.278 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894022254 583275293 /nfs/dbraw/zinc/27/52/93/583275293.db2.gz WUMCLPFXEOZXGO-LBPRGKRZSA-N 1 2 237.347 1.885 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894022254 583275295 /nfs/dbraw/zinc/27/52/95/583275295.db2.gz WUMCLPFXEOZXGO-LBPRGKRZSA-N 1 2 237.347 1.885 20 0 BDADLO Cc1ccnc(N)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000894030830 583277125 /nfs/dbraw/zinc/27/71/25/583277125.db2.gz MKXLCWWFPYMOJW-PHIMTYICSA-N 1 2 233.315 1.335 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000894030830 583277127 /nfs/dbraw/zinc/27/71/27/583277127.db2.gz MKXLCWWFPYMOJW-PHIMTYICSA-N 1 2 233.315 1.335 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ocnc2C)[C@H](C)C1 ZINC000894034595 583278640 /nfs/dbraw/zinc/27/86/40/583278640.db2.gz SECLAOLIMPDJDY-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ocnc2C)[C@H](C)C1 ZINC000894034595 583278645 /nfs/dbraw/zinc/27/86/45/583278645.db2.gz SECLAOLIMPDJDY-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)Cc2cn[nH]c2)c1C ZINC000894027266 583280616 /nfs/dbraw/zinc/28/06/16/583280616.db2.gz LCZIIMBBPYTTOV-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)Cc2cn[nH]c2)c1C ZINC000894027266 583280618 /nfs/dbraw/zinc/28/06/18/583280618.db2.gz LCZIIMBBPYTTOV-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000894029535 583281929 /nfs/dbraw/zinc/28/19/29/583281929.db2.gz ZFYZBPUEQKPJKA-MRUFAENASA-N 1 2 229.320 1.245 20 0 BDADLO CN(Cc1cn2ccnc2s1)Cc1[nH]cc[nH+]1 ZINC000894089271 583298264 /nfs/dbraw/zinc/29/82/64/583298264.db2.gz FDKZNNFJEXVIGV-UHFFFAOYSA-N 1 2 247.327 1.751 20 0 BDADLO CN(Cc1cnn(C)c1C1CC1)Cc1[nH]cc[nH+]1 ZINC000894089194 583298590 /nfs/dbraw/zinc/29/85/90/583298590.db2.gz DAILEGWXGVPVRF-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO C[C@@H](O)c1cccc(NCCC2(CO)CC2)[nH+]1 ZINC000894094570 583299565 /nfs/dbraw/zinc/29/95/65/583299565.db2.gz AWJDAQDEUXRABE-SNVBAGLBSA-N 1 2 236.315 1.709 20 0 BDADLO Cc1cc(N[C@@H]2COC[C@H]2O)nc(C2CCC2)[nH+]1 ZINC000894098053 583302488 /nfs/dbraw/zinc/30/24/88/583302488.db2.gz FKFJUYXXSFLJOX-GHMZBOCLSA-N 1 2 249.314 1.224 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CC[C@H](C(N)=O)C2)[nH+]1 ZINC000894119409 583309927 /nfs/dbraw/zinc/30/99/27/583309927.db2.gz HWJHCNMYQCDRRL-LPEHRKFASA-N 1 2 249.314 1.201 20 0 BDADLO C[C@H](O)c1cccc(NC[C@@H](O)C2CCC2)[nH+]1 ZINC000894118006 583310419 /nfs/dbraw/zinc/31/04/19/583310419.db2.gz FXABWAPUYCARTD-JOYOIKCWSA-N 1 2 236.315 1.708 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](O)C2)nc(CC)[nH+]1 ZINC000894119328 583311097 /nfs/dbraw/zinc/31/10/97/583311097.db2.gz NDINXARVHBWTLH-AOOOYVTPSA-N 1 2 221.304 1.537 20 0 BDADLO CC(C)(C(=O)NC[C@@H]1CCC=CO1)c1c[nH]c[nH+]1 ZINC000857186678 588892225 /nfs/dbraw/zinc/89/22/25/588892225.db2.gz YZQYQVFAWDSCPY-JTQLQIEISA-N 1 2 249.314 1.496 20 0 BDADLO Cc1nn(C)c(C[NH+]2CC(C)C2)c1Cl ZINC000894157739 583321126 /nfs/dbraw/zinc/32/11/26/583321126.db2.gz GVTOLRRSKCBWHJ-UHFFFAOYSA-N 1 2 213.712 1.834 20 0 BDADLO CCCSC[C@H](C)[NH2+][C@H](C)C(=O)OC ZINC000894178480 583328757 /nfs/dbraw/zinc/32/87/57/583328757.db2.gz MJZGRKDNIRXZMR-DTWKUNHWSA-N 1 2 219.350 1.669 20 0 BDADLO CNc1cc(N2CCO[C@@H](C3CCC3)C2)nc[nH+]1 ZINC000894182465 583330298 /nfs/dbraw/zinc/33/02/98/583330298.db2.gz OXTKLTAHBFYTBR-LLVKDONJSA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CCO[C@@H](C3CCC3)C2)[nH+]cn1 ZINC000894182465 583330301 /nfs/dbraw/zinc/33/03/01/583330301.db2.gz OXTKLTAHBFYTBR-LLVKDONJSA-N 1 2 248.330 1.524 20 0 BDADLO COC(=O)[C@@H]1[C@H](CNc2cccc[nH+]2)C1(F)F ZINC000894196727 583335283 /nfs/dbraw/zinc/33/52/83/583335283.db2.gz ABBLEQNRHABSBC-CBAPKCEASA-N 1 2 242.225 1.548 20 0 BDADLO CCOc1ccccc1C[N@@H+]1CCCNC(=O)C1 ZINC000726791734 583374976 /nfs/dbraw/zinc/37/49/76/583374976.db2.gz IJMGTVQFFMGVOW-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO CCOc1ccccc1C[N@H+]1CCCNC(=O)C1 ZINC000726791734 583374977 /nfs/dbraw/zinc/37/49/77/583374977.db2.gz IJMGTVQFFMGVOW-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@H](C)OC ZINC000857280519 588902277 /nfs/dbraw/zinc/90/22/77/588902277.db2.gz LVKJECYGHGJJNH-VHSXEESVSA-N 1 2 239.319 1.505 20 0 BDADLO FCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000894222553 583382543 /nfs/dbraw/zinc/38/25/43/583382543.db2.gz QHXKFOLEEAFLDF-UHFFFAOYSA-N 1 2 217.675 2.000 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@@H](C)OC ZINC000857280520 588902550 /nfs/dbraw/zinc/90/25/50/588902550.db2.gz LVKJECYGHGJJNH-ZJUUUORDSA-N 1 2 239.319 1.505 20 0 BDADLO O=C1CCN1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000857231620 588897072 /nfs/dbraw/zinc/89/70/72/588897072.db2.gz PPGUPKQLCBQSTR-LBPRGKRZSA-N 1 2 216.284 1.623 20 0 BDADLO O=C1CCN1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000857231620 588897074 /nfs/dbraw/zinc/89/70/74/588897074.db2.gz PPGUPKQLCBQSTR-LBPRGKRZSA-N 1 2 216.284 1.623 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CN1CCC1=O ZINC000857233515 588898337 /nfs/dbraw/zinc/89/83/37/588898337.db2.gz CFFZAVOMIQFXQE-LBPRGKRZSA-N 1 2 248.330 1.137 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@H+]1CN1CCC1=O ZINC000857233515 588898338 /nfs/dbraw/zinc/89/83/38/588898338.db2.gz CFFZAVOMIQFXQE-LBPRGKRZSA-N 1 2 248.330 1.137 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879624724 583441566 /nfs/dbraw/zinc/44/15/66/583441566.db2.gz ZZDNVXIYKBRABY-PSASIEDQSA-N 1 2 238.335 1.267 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879624724 583441568 /nfs/dbraw/zinc/44/15/68/583441568.db2.gz ZZDNVXIYKBRABY-PSASIEDQSA-N 1 2 238.335 1.267 20 0 BDADLO CN(C)c1cc(N2CCCC(F)(F)C2)nc[nH+]1 ZINC000894384782 583443715 /nfs/dbraw/zinc/44/37/15/583443715.db2.gz VPPHMUYNGPNVLH-UHFFFAOYSA-N 1 2 242.273 1.778 20 0 BDADLO CN(C)c1cc(N2CCCC(F)(F)C2)[nH+]cn1 ZINC000894384782 583443716 /nfs/dbraw/zinc/44/37/16/583443716.db2.gz VPPHMUYNGPNVLH-UHFFFAOYSA-N 1 2 242.273 1.778 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]1 ZINC000894389093 583445229 /nfs/dbraw/zinc/44/52/29/583445229.db2.gz OZLSAIOXEKXSRL-IQIPOGNMSA-N 1 2 234.299 1.867 20 0 BDADLO Cc1cccnc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791995842 583454332 /nfs/dbraw/zinc/45/43/32/583454332.db2.gz RMGPLWFYHVIFKK-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cnn(C)n2)o1 ZINC000894439852 583460077 /nfs/dbraw/zinc/46/00/77/583460077.db2.gz ODXNNWLVZVGSBS-UHFFFAOYSA-N 1 2 236.275 1.097 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000894464291 583467348 /nfs/dbraw/zinc/46/73/48/583467348.db2.gz NFRHXTHZIXLOGJ-UHFFFAOYSA-N 1 2 237.234 1.513 20 0 BDADLO O[C@@H]1CCOc2c(NCc3c[nH+]c[nH]3)cccc21 ZINC000894469561 583467940 /nfs/dbraw/zinc/46/79/40/583467940.db2.gz IKGDKMJAAULTJB-GFCCVEGCSA-N 1 2 245.282 1.838 20 0 BDADLO O[C@@H]1CCOc2c(NCc3c[nH]c[nH+]3)cccc21 ZINC000894469561 583467941 /nfs/dbraw/zinc/46/79/41/583467941.db2.gz IKGDKMJAAULTJB-GFCCVEGCSA-N 1 2 245.282 1.838 20 0 BDADLO CCc1onc(C)c1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894468274 583468381 /nfs/dbraw/zinc/46/83/81/583468381.db2.gz URRSXABWZUIYLM-QMMMGPOBSA-N 1 2 249.318 1.823 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCCC[C@H]2O)[nH+]1 ZINC000894479877 583469812 /nfs/dbraw/zinc/46/98/12/583469812.db2.gz UNRFUDQAMDUAHA-MVWJERBFSA-N 1 2 236.315 1.850 20 0 BDADLO CC(C)c1c[nH]c(CN2CCn3ncnc3C2)[nH+]1 ZINC000894483720 583470190 /nfs/dbraw/zinc/47/01/90/583470190.db2.gz NZYJYMQVHHJLRO-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000857305293 588904911 /nfs/dbraw/zinc/90/49/11/588904911.db2.gz COIZWGBTPWEDFC-LLVKDONJSA-N 1 2 236.315 1.447 20 0 BDADLO Cc1coc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000894497679 583472648 /nfs/dbraw/zinc/47/26/48/583472648.db2.gz OUARXLWMXWTKAC-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1coc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000894497679 583472650 /nfs/dbraw/zinc/47/26/50/583472650.db2.gz OUARXLWMXWTKAC-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1C ZINC000894497697 583473170 /nfs/dbraw/zinc/47/31/70/583473170.db2.gz PCHAVBFTBNIJDW-QPUJVOFHSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1C ZINC000894497697 583473172 /nfs/dbraw/zinc/47/31/72/583473172.db2.gz PCHAVBFTBNIJDW-QPUJVOFHSA-N 1 2 223.320 1.229 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894532898 583478987 /nfs/dbraw/zinc/47/89/87/583478987.db2.gz JQYZGDSZPQXSQN-ZDUSSCGKSA-N 1 2 237.347 1.763 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894532898 583478989 /nfs/dbraw/zinc/47/89/89/583478989.db2.gz JQYZGDSZPQXSQN-ZDUSSCGKSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000894551687 583482465 /nfs/dbraw/zinc/48/24/65/583482465.db2.gz OAHMNOCQEFQBAF-CDMJZVDBSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000894551687 583482467 /nfs/dbraw/zinc/48/24/67/583482467.db2.gz OAHMNOCQEFQBAF-CDMJZVDBSA-N 1 2 241.356 1.929 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1cccc([C@H](C)O)[nH+]1 ZINC000894573452 583486454 /nfs/dbraw/zinc/48/64/54/583486454.db2.gz YFQCJUYHYJOSDB-HOSYDEDBSA-N 1 2 236.315 1.485 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000894576671 583487695 /nfs/dbraw/zinc/48/76/95/583487695.db2.gz DCXVVZXJHQCMCG-IUCAKERBSA-N 1 2 234.303 1.234 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](O)C23CCC3)[nH+]cn1 ZINC000894576671 583487698 /nfs/dbraw/zinc/48/76/98/583487698.db2.gz DCXVVZXJHQCMCG-IUCAKERBSA-N 1 2 234.303 1.234 20 0 BDADLO Cc1nc(F)ccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894586001 583488994 /nfs/dbraw/zinc/48/89/94/583488994.db2.gz KOWGBDYHYRSXIH-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO C[C@H](O)c1cccc(NCc2ncccn2)[nH+]1 ZINC000894593437 583493306 /nfs/dbraw/zinc/49/33/06/583493306.db2.gz LKXBYNINFLUXJL-VIFPVBQESA-N 1 2 230.271 1.537 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000857335608 588906454 /nfs/dbraw/zinc/90/64/54/588906454.db2.gz XHJMXVWLLNIHMN-NSHDSACASA-N 1 2 236.315 1.275 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894625342 583497045 /nfs/dbraw/zinc/49/70/45/583497045.db2.gz TYMVGCNABNOPRO-KCJUWKMLSA-N 1 2 222.292 1.132 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894625342 583497046 /nfs/dbraw/zinc/49/70/46/583497046.db2.gz TYMVGCNABNOPRO-KCJUWKMLSA-N 1 2 222.292 1.132 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCn3ccnc32)cnc1F ZINC000894667097 583502459 /nfs/dbraw/zinc/50/24/59/583502459.db2.gz GDFOFGHHLGEYPN-LLVKDONJSA-N 1 2 246.289 1.960 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CC[C@@H](F)C1)COCC2 ZINC000894670423 583502851 /nfs/dbraw/zinc/50/28/51/583502851.db2.gz HDALENJUUXJBCD-SECBINFHSA-N 1 2 239.294 1.037 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CC[C@@H](F)C1)COCC2 ZINC000894670423 583502852 /nfs/dbraw/zinc/50/28/52/583502852.db2.gz HDALENJUUXJBCD-SECBINFHSA-N 1 2 239.294 1.037 20 0 BDADLO c1cn(C2CC2)c(CN(C2CC2)C2COC2)[nH+]1 ZINC000894658757 583504456 /nfs/dbraw/zinc/50/44/56/583504456.db2.gz KUYPYSOZTUPYBZ-UHFFFAOYSA-N 1 2 233.315 1.581 20 0 BDADLO COc1ccc(C[NH2+]Cc2conc2C)nc1 ZINC000894698658 583510573 /nfs/dbraw/zinc/51/05/73/583510573.db2.gz ZRTUUIAIMSAJKR-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Nc1nc(NCC2CC=CC2)nc(C2CC2)[nH+]1 ZINC000894716014 583511432 /nfs/dbraw/zinc/51/14/32/583511432.db2.gz SIKABQQTULQGII-UHFFFAOYSA-N 1 2 231.303 1.709 20 0 BDADLO Nc1nc(NCC2CC=CC2)[nH+]c(C2CC2)n1 ZINC000894716014 583511433 /nfs/dbraw/zinc/51/14/33/583511433.db2.gz SIKABQQTULQGII-UHFFFAOYSA-N 1 2 231.303 1.709 20 0 BDADLO COC1C[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000894820525 583524760 /nfs/dbraw/zinc/52/47/60/583524760.db2.gz WFWIAYRPWGITNC-SNVBAGLBSA-N 1 2 233.311 1.841 20 0 BDADLO CCOC1C[NH+](Cc2cnn(CC3CCC3)c2)C1 ZINC000894819379 583525106 /nfs/dbraw/zinc/52/51/06/583525106.db2.gz MFKORSSOWDZDDB-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO O=c1cc(C[NH+]2CC(OCC(F)F)C2)cc[nH]1 ZINC000894826125 583526773 /nfs/dbraw/zinc/52/67/73/583526773.db2.gz SKNAXJJARYHESX-UHFFFAOYSA-N 1 2 244.241 1.253 20 0 BDADLO COCC1(C)C[NH+](Cc2nccn2C2CC2)C1 ZINC000894840568 583529918 /nfs/dbraw/zinc/52/99/18/583529918.db2.gz MHJKNKPMCMVUFW-UHFFFAOYSA-N 1 2 235.331 1.686 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000894841729 583530358 /nfs/dbraw/zinc/53/03/58/583530358.db2.gz ZSNLUEZWXMHCHM-URLYPYJESA-N 1 2 235.331 1.203 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000894841729 583530359 /nfs/dbraw/zinc/53/03/59/583530359.db2.gz ZSNLUEZWXMHCHM-URLYPYJESA-N 1 2 235.331 1.203 20 0 BDADLO FCC(CF)[NH2+][C@@H]1CCc2cccnc21 ZINC000894873820 583541077 /nfs/dbraw/zinc/54/10/77/583541077.db2.gz OQTCGCGWOQCBNH-SNVBAGLBSA-N 1 2 212.243 1.966 20 0 BDADLO Cc1cc(N2Cc3c[nH]nc3[C@@H](C)C2)nc[nH+]1 ZINC000894894211 583549059 /nfs/dbraw/zinc/54/90/59/583549059.db2.gz KBRBUFDQDZWOFX-QMMMGPOBSA-N 1 2 229.287 1.632 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccc(OC)o2)n1 ZINC000894897258 583550637 /nfs/dbraw/zinc/55/06/37/583550637.db2.gz ZQUXPTATUORHQE-UHFFFAOYSA-N 1 2 235.287 1.794 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)[C@@H](C)O1 ZINC000894920001 583555414 /nfs/dbraw/zinc/55/54/14/583555414.db2.gz BKBMYXYBPMZGMS-OPRDCNLKSA-N 1 2 236.319 1.520 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)[C@@H](C)O1 ZINC000894920001 583555415 /nfs/dbraw/zinc/55/54/15/583555415.db2.gz BKBMYXYBPMZGMS-OPRDCNLKSA-N 1 2 236.319 1.520 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)[C@@H](C)O1 ZINC000894919996 583555607 /nfs/dbraw/zinc/55/56/07/583555607.db2.gz BKBMYXYBPMZGMS-BBBLOLIVSA-N 1 2 236.319 1.520 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)[C@@H](C)O1 ZINC000894919996 583555610 /nfs/dbraw/zinc/55/56/10/583555610.db2.gz BKBMYXYBPMZGMS-BBBLOLIVSA-N 1 2 236.319 1.520 20 0 BDADLO CCCCCOC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894970548 583560722 /nfs/dbraw/zinc/56/07/22/583560722.db2.gz GFUDSWBGXROICA-UHFFFAOYSA-N 1 2 223.320 1.801 20 0 BDADLO CCCCCOC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894970548 583560723 /nfs/dbraw/zinc/56/07/23/583560723.db2.gz GFUDSWBGXROICA-UHFFFAOYSA-N 1 2 223.320 1.801 20 0 BDADLO CCOC1CN(Cc2[nH]cc(C(C)C)[nH+]2)C1 ZINC000894970563 583560818 /nfs/dbraw/zinc/56/08/18/583560818.db2.gz GZUYNWOHNUOJKH-UHFFFAOYSA-N 1 2 223.320 1.754 20 0 BDADLO COCCCOC1C[NH+](Cc2cc(C)co2)C1 ZINC000894970893 583561392 /nfs/dbraw/zinc/56/13/92/583561392.db2.gz OWMQYJRVDUPLRG-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO CN(C)c1cc(NCc2ccnc(F)c2)[nH+]cn1 ZINC000894977211 583563034 /nfs/dbraw/zinc/56/30/34/583563034.db2.gz HZRYPYQSLLLODB-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO CN(C)c1cc(NCc2ccnc(F)c2)nc[nH+]1 ZINC000894977211 583563035 /nfs/dbraw/zinc/56/30/35/583563035.db2.gz HZRYPYQSLLLODB-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000894987563 583565376 /nfs/dbraw/zinc/56/53/76/583565376.db2.gz WDAZSZWSTYOWJO-MIMYLULJSA-N 1 2 222.288 1.460 20 0 BDADLO CCn1cc(C[NH+]2CC(CC(F)F)C2)nn1 ZINC000895013819 583568015 /nfs/dbraw/zinc/56/80/15/583568015.db2.gz XCQLIBNEFYVQRW-UHFFFAOYSA-N 1 2 230.262 1.385 20 0 BDADLO CN(Cc1ncccn1)c1cc[nH+]c(C2CC2)n1 ZINC000895062282 583577532 /nfs/dbraw/zinc/57/75/32/583577532.db2.gz NYEWWLMEBZHTTQ-UHFFFAOYSA-N 1 2 241.298 1.780 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@@H]1CCCO1)C2 ZINC000857874440 588913621 /nfs/dbraw/zinc/91/36/21/588913621.db2.gz RFTQFZMCPBPILG-LBPRGKRZSA-N 1 2 204.273 1.576 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1CCCO1)C2 ZINC000857874440 588913623 /nfs/dbraw/zinc/91/36/23/588913623.db2.gz RFTQFZMCPBPILG-LBPRGKRZSA-N 1 2 204.273 1.576 20 0 BDADLO CCc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)[nH]n1 ZINC000857854579 588913752 /nfs/dbraw/zinc/91/37/52/588913752.db2.gz OMUGHPARMXOHTJ-GFCCVEGCSA-N 1 2 245.330 1.862 20 0 BDADLO CCc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)[nH]n1 ZINC000857854579 588913753 /nfs/dbraw/zinc/91/37/53/588913753.db2.gz OMUGHPARMXOHTJ-GFCCVEGCSA-N 1 2 245.330 1.862 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCNc1nccs1 ZINC000895086713 583585049 /nfs/dbraw/zinc/58/50/49/583585049.db2.gz FIMOVFWSQHSPTR-SNVBAGLBSA-N 1 2 241.360 1.666 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCNc1nccs1 ZINC000895086713 583585050 /nfs/dbraw/zinc/58/50/50/583585050.db2.gz FIMOVFWSQHSPTR-SNVBAGLBSA-N 1 2 241.360 1.666 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccncc1 ZINC000895115827 583591887 /nfs/dbraw/zinc/59/18/87/583591887.db2.gz QIKLDHNWYRDBNX-AXFHLTTASA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccncc1 ZINC000895115827 583591889 /nfs/dbraw/zinc/59/18/89/583591889.db2.gz QIKLDHNWYRDBNX-AXFHLTTASA-N 1 2 233.315 1.179 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCC[C@@H](F)C2)c1C ZINC000895149951 583606176 /nfs/dbraw/zinc/60/61/76/583606176.db2.gz DRKDHKFRUNRHET-SNVBAGLBSA-N 1 2 211.284 1.960 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCC[C@@H](F)C2)c1C ZINC000895149951 583606177 /nfs/dbraw/zinc/60/61/77/583606177.db2.gz DRKDHKFRUNRHET-SNVBAGLBSA-N 1 2 211.284 1.960 20 0 BDADLO CCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000142394113 583611746 /nfs/dbraw/zinc/61/17/46/583611746.db2.gz ZSDCBUIDAXJFLI-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCSC1)c1n[nH]c(=O)n1C ZINC000895179286 583617147 /nfs/dbraw/zinc/61/71/47/583617147.db2.gz FWWKFLPDGOGUTO-HTQZYQBOSA-N 1 2 242.348 1.067 20 0 BDADLO Cc1ncoc1CN(C)Cc1c[nH+]c[nH]1 ZINC000895225333 583628776 /nfs/dbraw/zinc/62/87/76/583628776.db2.gz PDOXOWPSBLJVGK-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1nccn1C ZINC000857772902 588910896 /nfs/dbraw/zinc/91/08/96/588910896.db2.gz BEEIPMHVBDSFPK-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO CN(CCCF)C(=O)c1cccc2[nH+]ccn21 ZINC000895292904 583637266 /nfs/dbraw/zinc/63/72/66/583637266.db2.gz HLDYUODGGIWORB-UHFFFAOYSA-N 1 2 235.262 1.766 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ccnn1C1CCC1 ZINC000895302636 583645053 /nfs/dbraw/zinc/64/50/53/583645053.db2.gz OBBMANSQYHBXBU-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ccnn1C1CCC1 ZINC000895302636 583645054 /nfs/dbraw/zinc/64/50/54/583645054.db2.gz OBBMANSQYHBXBU-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO CCOCC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000857879649 588919270 /nfs/dbraw/zinc/91/92/70/588919270.db2.gz LZUJCMTZYHIRNA-ZDUSSCGKSA-N 1 2 236.315 1.185 20 0 BDADLO CCOCC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000857879649 588919272 /nfs/dbraw/zinc/91/92/72/588919272.db2.gz LZUJCMTZYHIRNA-ZDUSSCGKSA-N 1 2 236.315 1.185 20 0 BDADLO CCn1cc(C[NH2+]Cc2cnc(F)cc2C)nn1 ZINC000895357974 583658533 /nfs/dbraw/zinc/65/85/33/583658533.db2.gz LOMUTHDAKGDSFF-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO c1[nH]c(CNc2cccc3c2OCC3)c[nH+]1 ZINC000895390682 583663829 /nfs/dbraw/zinc/66/38/29/583663829.db2.gz PDZQBTAIEVDOLW-UHFFFAOYSA-N 1 2 215.256 1.957 20 0 BDADLO c1[nH]cc(CNc2cccc3c2OCC3)[nH+]1 ZINC000895390682 583663830 /nfs/dbraw/zinc/66/38/30/583663830.db2.gz PDZQBTAIEVDOLW-UHFFFAOYSA-N 1 2 215.256 1.957 20 0 BDADLO C[N@H+](CC1CCCCCC1)C1CS(=O)(=O)C1 ZINC000895398325 583665443 /nfs/dbraw/zinc/66/54/43/583665443.db2.gz PUVMCZBEIFWOQO-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO C[N@@H+](CC1CCCCCC1)C1CS(=O)(=O)C1 ZINC000895398325 583665444 /nfs/dbraw/zinc/66/54/44/583665444.db2.gz PUVMCZBEIFWOQO-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@H]1C(F)F)[C@@H]1CCOC1 ZINC000895431337 583670092 /nfs/dbraw/zinc/67/00/92/583670092.db2.gz LGRCDHWOZGPVJD-KXUCPTDWSA-N 1 2 235.274 1.377 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@H]1C(F)F)[C@@H]1CCOC1 ZINC000895431337 583670095 /nfs/dbraw/zinc/67/00/95/583670095.db2.gz LGRCDHWOZGPVJD-KXUCPTDWSA-N 1 2 235.274 1.377 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@H]1C(F)F)C1CC1 ZINC000895431433 583670899 /nfs/dbraw/zinc/67/08/99/583670899.db2.gz MSSIPYOJDFUMPH-DTWKUNHWSA-N 1 2 205.248 1.751 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@H]1C(F)F)C1CC1 ZINC000895431433 583670900 /nfs/dbraw/zinc/67/09/00/583670900.db2.gz MSSIPYOJDFUMPH-DTWKUNHWSA-N 1 2 205.248 1.751 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000857884851 588920474 /nfs/dbraw/zinc/92/04/74/588920474.db2.gz GJQRGTVTPJZHAO-SNVBAGLBSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C(F)=C1CCC1 ZINC000857885557 588920552 /nfs/dbraw/zinc/92/05/52/588920552.db2.gz VPYBZDKBSBWFBQ-VIFPVBQESA-N 1 2 235.262 1.332 20 0 BDADLO Cc1nc(CN(C)Cc2[nH+]ccn2C2CC2)no1 ZINC000895472433 583680003 /nfs/dbraw/zinc/68/00/03/583680003.db2.gz DPVXNVCFGZEUII-UHFFFAOYSA-N 1 2 247.302 1.541 20 0 BDADLO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC000895535343 583684100 /nfs/dbraw/zinc/68/41/00/583684100.db2.gz ZMCDMTZDAQZZDL-SVRRBLITSA-N 1 2 245.124 1.068 20 0 BDADLO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC000895535343 583684101 /nfs/dbraw/zinc/68/41/01/583684101.db2.gz ZMCDMTZDAQZZDL-SVRRBLITSA-N 1 2 245.124 1.068 20 0 BDADLO NC(CO)=[NH+]OCc1cccnc1C(F)(F)F ZINC000883012960 583684117 /nfs/dbraw/zinc/68/41/17/583684117.db2.gz ACAHWXTWAKKPSX-UHFFFAOYSA-N 1 2 249.192 1.091 20 0 BDADLO C/C=C(/C=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1)CC ZINC000857889659 588921391 /nfs/dbraw/zinc/92/13/91/588921391.db2.gz MRUDMIFFIANPQG-GANNGHOVSA-N 1 2 245.326 1.837 20 0 BDADLO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cnn[nH]1 ZINC000895532142 583685560 /nfs/dbraw/zinc/68/55/60/583685560.db2.gz NBFDAJJEVYLRKZ-UHFFFAOYSA-N 1 2 248.334 1.489 20 0 BDADLO Cc1[nH+]cnc(NC2CC(CC(N)=O)C2)c1C ZINC000895542567 583688822 /nfs/dbraw/zinc/68/88/22/583688822.db2.gz YKJBRWJWOOYPCV-UHFFFAOYSA-N 1 2 234.303 1.159 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1(C2CC2)CC1 ZINC000895608564 583695256 /nfs/dbraw/zinc/69/52/56/583695256.db2.gz PWKHOKAARLIMAQ-UHFFFAOYSA-N 1 2 245.326 1.800 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC000895649153 583699342 /nfs/dbraw/zinc/69/93/42/583699342.db2.gz OILZLROSXQUKHQ-UFBFGSQYSA-N 1 2 243.228 1.671 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC000895649153 583699344 /nfs/dbraw/zinc/69/93/44/583699344.db2.gz OILZLROSXQUKHQ-UFBFGSQYSA-N 1 2 243.228 1.671 20 0 BDADLO CCc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)no1 ZINC000895704288 583710011 /nfs/dbraw/zinc/71/00/11/583710011.db2.gz MOBXAIXUXCJYRB-VIFPVBQESA-N 1 2 248.286 1.252 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)n[nH]1 ZINC000895753807 583719705 /nfs/dbraw/zinc/71/97/05/583719705.db2.gz VMTQADKIBBVOSU-UHFFFAOYSA-N 1 2 247.302 1.597 20 0 BDADLO COCCOc1ccc(C[NH2+]C2(C)COC2)o1 ZINC000895753854 583719909 /nfs/dbraw/zinc/71/99/09/583719909.db2.gz JYUNIGOPUWBTER-UHFFFAOYSA-N 1 2 241.287 1.183 20 0 BDADLO CC(C(=O)N[C@H]1CCn2c[nH+]cc2C1)=C1CCC1 ZINC000857941415 588924199 /nfs/dbraw/zinc/92/41/99/588924199.db2.gz GBLOPUIUJRTHLY-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857946998 588924831 /nfs/dbraw/zinc/92/48/31/588924831.db2.gz KAWOIPRHXTWYLV-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804105 583731283 /nfs/dbraw/zinc/73/12/83/583731283.db2.gz NJJPNMDPQFNBES-GUBZILKMSA-N 1 2 229.345 1.422 20 0 BDADLO CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895803670 583731501 /nfs/dbraw/zinc/73/15/01/583731501.db2.gz DULVIQWSKMYNKJ-GARJFASQSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@@H](C[NH2+][C@H]1CCOC1=O)Cc1ccccc1 ZINC000895805951 583732043 /nfs/dbraw/zinc/73/20/43/583732043.db2.gz XZAQWHKKXFVVMY-YPMHNXCESA-N 1 2 233.311 1.770 20 0 BDADLO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCOC2=O)cc1 ZINC000895805122 583732189 /nfs/dbraw/zinc/73/21/89/583732189.db2.gz PLDITHCNEHKPND-MFKMUULPSA-N 1 2 249.310 1.531 20 0 BDADLO CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCOC1=O ZINC000895804694 583732347 /nfs/dbraw/zinc/73/23/47/583732347.db2.gz VGICRIORCZITOR-ONGXEEELSA-N 1 2 239.340 1.974 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000895808427 583732503 /nfs/dbraw/zinc/73/25/03/583732503.db2.gz MNPBGZNCABPQQN-RISCZKNCSA-N 1 2 245.322 1.697 20 0 BDADLO O=C(C=C1CCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963329 588925764 /nfs/dbraw/zinc/92/57/64/588925764.db2.gz UDYUYCCHYLGEOF-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000895911755 583745652 /nfs/dbraw/zinc/74/56/52/583745652.db2.gz WGUNFQUIVYUHBZ-LDYMZIIASA-N 1 2 244.298 1.659 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccco2)[C@@H](C)C(=O)N1C ZINC000895919926 583746953 /nfs/dbraw/zinc/74/69/53/583746953.db2.gz IHWRBRCERDQNFW-MXWKQRLJSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccco2)[C@@H](C)C(=O)N1C ZINC000895919926 583746954 /nfs/dbraw/zinc/74/69/54/583746954.db2.gz IHWRBRCERDQNFW-MXWKQRLJSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccoc2)[C@H](C)C(=O)N1C ZINC000895923301 583747249 /nfs/dbraw/zinc/74/72/49/583747249.db2.gz WGIXJFGOZJBUNI-GMTAPVOTSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccoc2)[C@H](C)C(=O)N1C ZINC000895923301 583747251 /nfs/dbraw/zinc/74/72/51/583747251.db2.gz WGIXJFGOZJBUNI-GMTAPVOTSA-N 1 2 236.315 1.719 20 0 BDADLO CC1CC(CNC(=O)NCc2cn(C)c[nH+]2)C1 ZINC000895925929 583748039 /nfs/dbraw/zinc/74/80/39/583748039.db2.gz SPJZHUSUJBLUPQ-UHFFFAOYSA-N 1 2 236.319 1.265 20 0 BDADLO Cc1nc(N(C)C[C@@H](O)c2cccnc2)cc[nH+]1 ZINC000895937805 583749926 /nfs/dbraw/zinc/74/99/26/583749926.db2.gz WVSLBWPUJQLVRN-GFCCVEGCSA-N 1 2 244.298 1.350 20 0 BDADLO CCn1cc(C[NH+]2CC(OC(C)C)C2)cn1 ZINC000895955962 583752699 /nfs/dbraw/zinc/75/26/99/583752699.db2.gz ZVJWCEOWROCUOO-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO COCC1C[NH+](Cc2nccn2C2CC2)C1 ZINC000895976715 583753120 /nfs/dbraw/zinc/75/31/20/583753120.db2.gz TYGPGXKCUUTSPG-UHFFFAOYSA-N 1 2 221.304 1.296 20 0 BDADLO COCC1C[NH+](Cc2ccnc(OC)c2F)C1 ZINC000895976706 583753425 /nfs/dbraw/zinc/75/34/25/583753425.db2.gz TUXDQECPYGAMGJ-UHFFFAOYSA-N 1 2 240.278 1.308 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc3cccnc3o2)CCO1 ZINC000895963202 583753711 /nfs/dbraw/zinc/75/37/11/583753711.db2.gz MZSMXBICYGANOQ-GFCCVEGCSA-N 1 2 248.282 1.633 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc3cccnc3o2)CCO1 ZINC000895963202 583753712 /nfs/dbraw/zinc/75/37/12/583753712.db2.gz MZSMXBICYGANOQ-GFCCVEGCSA-N 1 2 248.282 1.633 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)ns1 ZINC000857978068 588926614 /nfs/dbraw/zinc/92/66/14/588926614.db2.gz BTEUBWGHTNSFIM-MRVPVSSYSA-N 1 2 248.311 1.523 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977790 588926617 /nfs/dbraw/zinc/92/66/17/588926617.db2.gz HGQXWHJUMVHAAB-KOLCDFICSA-N 1 2 237.303 1.259 20 0 BDADLO Cc1nc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)o1 ZINC000857977355 588926709 /nfs/dbraw/zinc/92/67/09/588926709.db2.gz CPRLWAXCILLZQO-VIFPVBQESA-N 1 2 246.270 1.363 20 0 BDADLO COCC1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000895975255 583756775 /nfs/dbraw/zinc/75/67/75/583756775.db2.gz SNWPSUNNEKASCR-UHFFFAOYSA-N 1 2 227.695 1.208 20 0 BDADLO Cc1ccoc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895978352 583757725 /nfs/dbraw/zinc/75/77/25/583757725.db2.gz OYJWFIPVAWCTQU-JTQLQIEISA-N 1 2 243.328 1.253 20 0 BDADLO C[NH+](C)C1(c2nc(Cc3cccnc3)no2)CC1 ZINC000895985615 583759079 /nfs/dbraw/zinc/75/90/79/583759079.db2.gz PKYIGFZMVSGRSO-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc21)C(F)F ZINC000857980414 588927161 /nfs/dbraw/zinc/92/71/61/588927161.db2.gz YBPUSVRTCIYNEQ-ZETCQYMHSA-N 1 2 243.257 1.735 20 0 BDADLO COCCC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857980919 588927536 /nfs/dbraw/zinc/92/75/36/588927536.db2.gz SOMPBMJKCIIJEM-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO COC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCC1 ZINC000857979173 588927590 /nfs/dbraw/zinc/92/75/90/588927590.db2.gz NTBLVQXGHAOIHF-JTQLQIEISA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C(C1CC1)C1CC1 ZINC000857980557 588927646 /nfs/dbraw/zinc/92/76/46/588927646.db2.gz LINAKJALXBYYBG-NSHDSACASA-N 1 2 245.326 1.880 20 0 BDADLO COCCCCc1noc(C2([NH+](C)C)CC2)n1 ZINC000896060157 583767331 /nfs/dbraw/zinc/76/73/31/583767331.db2.gz XGIXINVHVHWOFO-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO CSCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896072926 583768933 /nfs/dbraw/zinc/76/89/33/583768933.db2.gz LDEIZXGZQNQQRZ-UHFFFAOYSA-N 1 2 241.360 1.406 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982530 588928074 /nfs/dbraw/zinc/92/80/74/588928074.db2.gz PFNFARRNSFZAOW-NEOSZVFXSA-N 1 2 231.299 1.967 20 0 BDADLO C[NH+](C)C1(c2nc([C@@H]3CCCO3)no2)CC1 ZINC000896120971 583773695 /nfs/dbraw/zinc/77/36/95/583773695.db2.gz DOFJBJTZMSRGPK-QMMMGPOBSA-N 1 2 223.276 1.472 20 0 BDADLO C[NH+](C)C1(c2nc([C@H]3CCCO3)no2)CC1 ZINC000896120970 583773715 /nfs/dbraw/zinc/77/37/15/583773715.db2.gz DOFJBJTZMSRGPK-MRVPVSSYSA-N 1 2 223.276 1.472 20 0 BDADLO Cc1[nH+]cnc(NCC[C@H]2CNC(=O)C2)c1C ZINC000896132412 583774390 /nfs/dbraw/zinc/77/43/90/583774390.db2.gz AGTXBKNPXLUDPY-SNVBAGLBSA-N 1 2 234.303 1.032 20 0 BDADLO C[C@]1(CNc2cc(CO)cc[nH+]2)CCCCO1 ZINC000896179914 583779462 /nfs/dbraw/zinc/77/94/62/583779462.db2.gz AVJVPMNVUAPDGV-CYBMUJFWSA-N 1 2 236.315 1.945 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCCS1 ZINC000857984090 588928908 /nfs/dbraw/zinc/92/89/08/588928908.db2.gz XPTZQFLTYSOIKH-SCZZXKLOSA-N 1 2 237.328 1.340 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985712 588929050 /nfs/dbraw/zinc/92/90/50/588929050.db2.gz MBEJEXHLPIEQQZ-HTQZYQBOSA-N 1 2 225.317 1.196 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1=CCCC1 ZINC000857986743 588929063 /nfs/dbraw/zinc/92/90/63/588929063.db2.gz QAJUJPYLDZPGCA-JTQLQIEISA-N 1 2 217.272 1.554 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986272 588929300 /nfs/dbraw/zinc/92/93/00/588929300.db2.gz OMDYZQZMNNCLJI-VHSXEESVSA-N 1 2 221.304 1.880 20 0 BDADLO O=C(CC(F)(F)F)N[C@H]1CCn2c[nH+]cc21 ZINC000857988223 588929431 /nfs/dbraw/zinc/92/94/31/588929431.db2.gz CTPFIFNWJVYTNW-LURJTMIESA-N 1 2 233.193 1.397 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc[nH]1 ZINC000857988110 588929517 /nfs/dbraw/zinc/92/95/17/588929517.db2.gz GLXXHKAGCUDWKP-MRVPVSSYSA-N 1 2 216.244 1.086 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CC=CCC1 ZINC000857991292 588929663 /nfs/dbraw/zinc/92/96/63/588929663.db2.gz WYELRQKONOLKOS-QWRGUYRKSA-N 1 2 231.299 1.800 20 0 BDADLO CC(C)CCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857991040 588929791 /nfs/dbraw/zinc/92/97/91/588929791.db2.gz YZKIIVUDBZOHQY-JTQLQIEISA-N 1 2 221.304 1.880 20 0 BDADLO O=C(Cc1ccsc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857990092 588929817 /nfs/dbraw/zinc/92/98/17/588929817.db2.gz MXMZSRPWTLDULC-JTQLQIEISA-N 1 2 247.323 1.748 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CC=CCC1 ZINC000857991293 588930072 /nfs/dbraw/zinc/93/00/72/588930072.db2.gz WYELRQKONOLKOS-WDEREUQCSA-N 1 2 231.299 1.800 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857992412 588930095 /nfs/dbraw/zinc/93/00/95/588930095.db2.gz XXWYRGWIBMKWNA-FQTVTVBISA-N 1 2 217.272 1.576 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H]1CC13CC3)CCN2 ZINC000858001152 588930255 /nfs/dbraw/zinc/93/02/55/588930255.db2.gz RURQIGMVVKESIK-SNVBAGLBSA-N 1 2 243.310 1.949 20 0 BDADLO CCc1nc(N2C3CCC2(C(N)=O)CC3)cc[nH+]1 ZINC000896388552 583798638 /nfs/dbraw/zinc/79/86/38/583798638.db2.gz ZBKTYIIIYQIVBI-UHFFFAOYSA-N 1 2 246.314 1.026 20 0 BDADLO Cc1nc(NCCOC2CCOCC2)cc[nH+]1 ZINC000896471450 583803210 /nfs/dbraw/zinc/80/32/10/583803210.db2.gz LSTIELGTJHELOD-UHFFFAOYSA-N 1 2 237.303 1.393 20 0 BDADLO CC[C@@H](CO)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999360 588930494 /nfs/dbraw/zinc/93/04/94/588930494.db2.gz ZQRVJRWSUCVNDI-JTQLQIEISA-N 1 2 249.314 1.167 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C(C)(F)F)CCN2 ZINC000858000214 588930539 /nfs/dbraw/zinc/93/05/39/588930539.db2.gz CFWWTRVYGKBQOC-UHFFFAOYSA-N 1 2 241.241 1.804 20 0 BDADLO COCC(C)(C)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896597835 583816912 /nfs/dbraw/zinc/81/69/12/583816912.db2.gz YFMGRTWENVROSE-UHFFFAOYSA-N 1 2 239.319 1.544 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cccnn1)C2 ZINC000896658862 583820824 /nfs/dbraw/zinc/82/08/24/583820824.db2.gz AUIUEBMUYIMESM-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO OC[C@H]1C[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000896690343 583822438 /nfs/dbraw/zinc/82/24/38/583822438.db2.gz NXJTZQJRWQTTIT-MGCOHNPYSA-N 1 2 229.283 1.235 20 0 BDADLO COC[C@H](C)Cc1noc(C2([NH+](C)C)CC2)n1 ZINC000896752106 583830798 /nfs/dbraw/zinc/83/07/98/583830798.db2.gz QAXCAAKZEXEIJE-SECBINFHSA-N 1 2 239.319 1.445 20 0 BDADLO FC1(F)CN(Cc2c[nH+]c[nH]2)CC(F)(F)O1 ZINC000896783204 583833228 /nfs/dbraw/zinc/83/32/28/583833228.db2.gz LZHMTQTZUWWTCP-UHFFFAOYSA-N 1 2 239.172 1.428 20 0 BDADLO FC1(F)CN(Cc2c[nH]c[nH+]2)CC(F)(F)O1 ZINC000896783204 583833229 /nfs/dbraw/zinc/83/32/29/583833229.db2.gz LZHMTQTZUWWTCP-UHFFFAOYSA-N 1 2 239.172 1.428 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC2CC(C)C2)c[nH+]1 ZINC000896826503 583836886 /nfs/dbraw/zinc/83/68/86/583836886.db2.gz YBJCHBWLARMAOD-UHFFFAOYSA-N 1 2 235.331 1.841 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000858170718 588936716 /nfs/dbraw/zinc/93/67/16/588936716.db2.gz NOESNABOWPXILN-MAUMQABQSA-N 1 2 242.344 1.265 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(CCF)CC2)[nH+]c1C ZINC000896909163 583852352 /nfs/dbraw/zinc/85/23/52/583852352.db2.gz COFUSWIGSNFYAC-UHFFFAOYSA-N 1 2 239.294 1.783 20 0 BDADLO Cc1[nH]c(CNC(=O)CC(C)(F)F)[nH+]c1C ZINC000896911293 583853361 /nfs/dbraw/zinc/85/33/61/583853361.db2.gz QSXWNCSCELCWRM-UHFFFAOYSA-N 1 2 231.246 1.688 20 0 BDADLO CO[C@@H](C)CCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913194 583854133 /nfs/dbraw/zinc/85/41/33/583854133.db2.gz AWFRULJTNDFXNK-QMMMGPOBSA-N 1 2 239.319 1.458 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ccoc1)c1nncn1C ZINC000796455413 583855030 /nfs/dbraw/zinc/85/50/30/583855030.db2.gz XDXAEIQMVOSYDC-NSHDSACASA-N 1 2 234.303 1.895 20 0 BDADLO CCn1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000896919556 583856463 /nfs/dbraw/zinc/85/64/63/583856463.db2.gz RRYAOOQJSZDFAL-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO CCCCOCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919433 583856575 /nfs/dbraw/zinc/85/65/75/583856575.db2.gz RKIXGPVVOTXKHM-UHFFFAOYSA-N 1 2 239.319 1.459 20 0 BDADLO Cc1[nH]c(CNC(=O)COCC2CC2)[nH+]c1C ZINC000896921813 583856851 /nfs/dbraw/zinc/85/68/51/583856851.db2.gz FNUCTQFMGLRTRF-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO CC(C)=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896927787 583859393 /nfs/dbraw/zinc/85/93/93/583859393.db2.gz PCQQHYCFUMZSBZ-UHFFFAOYSA-N 1 2 207.277 1.609 20 0 BDADLO CONC(=O)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000896926648 583860032 /nfs/dbraw/zinc/86/00/32/583860032.db2.gz JGNCAWKXLDFGEO-LLVKDONJSA-N 1 2 236.315 1.447 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cccnc2)[nH+]c1C ZINC000896928983 583860320 /nfs/dbraw/zinc/86/03/20/583860320.db2.gz AHWMJYVJJFBTCO-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO c1cc2c(nc[nH+]c2SC2COC2)[nH]1 ZINC000896961302 583865360 /nfs/dbraw/zinc/86/53/60/583865360.db2.gz XVXMWSLQDJYMHC-UHFFFAOYSA-N 1 2 207.258 1.449 20 0 BDADLO c1ccc(N2CCC[C@H]2C2OCCO2)[nH+]c1 ZINC000897009636 583869752 /nfs/dbraw/zinc/86/97/52/583869752.db2.gz DLRNOTGVSAVADI-JTQLQIEISA-N 1 2 220.272 1.423 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1cc[nH+]cc1F ZINC000897142061 583883799 /nfs/dbraw/zinc/88/37/99/583883799.db2.gz FTRSHKYHWHVLMM-QWRGUYRKSA-N 1 2 210.252 1.834 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000897149282 583885024 /nfs/dbraw/zinc/88/50/24/583885024.db2.gz RSJYPYQIQOLRDQ-GHMZBOCLSA-N 1 2 233.315 1.968 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000897147662 583886032 /nfs/dbraw/zinc/88/60/32/583886032.db2.gz OZVFHRYPXZLUGE-QWRGUYRKSA-N 1 2 246.314 1.880 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000897147660 583886130 /nfs/dbraw/zinc/88/61/30/583886130.db2.gz OZVFHRYPXZLUGE-GHMZBOCLSA-N 1 2 246.314 1.880 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccnc(C)c2)n1 ZINC000858207435 588938447 /nfs/dbraw/zinc/93/84/47/588938447.db2.gz WSIQCVWICQCGSI-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867537313 583910062 /nfs/dbraw/zinc/91/00/62/583910062.db2.gz HEUMYWGRNSDQHL-VCJKKXKTSA-N 1 2 237.278 1.578 20 0 BDADLO C[C@H]([NH2+]Cc1cncc(O)c1)c1cnccn1 ZINC000897315718 583918915 /nfs/dbraw/zinc/91/89/15/583918915.db2.gz PRNBCNYNQYEIIC-VIFPVBQESA-N 1 2 230.271 1.428 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@@H](O)[C@H](F)C1 ZINC000897377372 583946139 /nfs/dbraw/zinc/94/61/39/583946139.db2.gz FKVLKBXXDYSBNR-BXKDBHETSA-N 1 2 249.289 1.482 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@]12C[C@H]1COC2 ZINC000888131507 583968740 /nfs/dbraw/zinc/96/87/40/583968740.db2.gz PUDDLHPRXCKOIH-GWCFXTLKSA-N 1 2 247.298 1.609 20 0 BDADLO CCON(CC)C(=O)C[NH2+]Cc1nccs1 ZINC000858219284 588939042 /nfs/dbraw/zinc/93/90/42/588939042.db2.gz GZWLACPAAMJVLC-UHFFFAOYSA-N 1 2 243.332 1.033 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000888161415 583975709 /nfs/dbraw/zinc/97/57/09/583975709.db2.gz ZEKSVESREFBAON-MWLCHTKSSA-N 1 2 249.314 1.511 20 0 BDADLO Cc1cc(N2C[C@@H]3CSC[C@]3(C)C2)nc[nH+]1 ZINC000897483459 583992497 /nfs/dbraw/zinc/99/24/97/583992497.db2.gz PTVOGBKMAVJJDI-PWSUYJOCSA-N 1 2 235.356 1.974 20 0 BDADLO CCC/C=C/C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000729357325 583994896 /nfs/dbraw/zinc/99/48/96/583994896.db2.gz IDNDSNVAFDUBCN-BTDICHCPSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000729357325 583994897 /nfs/dbraw/zinc/99/48/97/583994897.db2.gz IDNDSNVAFDUBCN-BTDICHCPSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729385436 583996647 /nfs/dbraw/zinc/99/66/47/583996647.db2.gz GICOZZHRZKHMJK-JVOXIWMLSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729385436 583996650 /nfs/dbraw/zinc/99/66/50/583996650.db2.gz GICOZZHRZKHMJK-JVOXIWMLSA-N 1 2 240.347 1.180 20 0 BDADLO Cn1nccc1[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000897558967 584018075 /nfs/dbraw/zinc/01/80/75/584018075.db2.gz PGOIPZNTCQTLRI-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1nccc1[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000897558967 584018078 /nfs/dbraw/zinc/01/80/78/584018078.db2.gz PGOIPZNTCQTLRI-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000897594568 584024378 /nfs/dbraw/zinc/02/43/78/584024378.db2.gz SKWSSCVXIIDHIH-GDNZZTSVSA-N 1 2 247.342 1.841 20 0 BDADLO O=C1NCCC2(C[NH+](Cc3cccs3)C2)O1 ZINC000897752709 584044080 /nfs/dbraw/zinc/04/40/80/584044080.db2.gz PKDMIAYUYNESBT-UHFFFAOYSA-N 1 2 238.312 1.432 20 0 BDADLO C=C=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897817847 584050889 /nfs/dbraw/zinc/05/08/89/584050889.db2.gz YBXDYTAIIPOHLT-GFCCVEGCSA-N 1 2 246.314 1.247 20 0 BDADLO C=C=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897817847 584050890 /nfs/dbraw/zinc/05/08/90/584050890.db2.gz YBXDYTAIIPOHLT-GFCCVEGCSA-N 1 2 246.314 1.247 20 0 BDADLO C=C=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897817847 584050891 /nfs/dbraw/zinc/05/08/91/584050891.db2.gz YBXDYTAIIPOHLT-GFCCVEGCSA-N 1 2 246.314 1.247 20 0 BDADLO C=C=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897817847 584050892 /nfs/dbraw/zinc/05/08/92/584050892.db2.gz YBXDYTAIIPOHLT-GFCCVEGCSA-N 1 2 246.314 1.247 20 0 BDADLO C=C=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897817850 584051095 /nfs/dbraw/zinc/05/10/95/584051095.db2.gz YBXDYTAIIPOHLT-LBPRGKRZSA-N 1 2 246.314 1.247 20 0 BDADLO C=C=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897817850 584051099 /nfs/dbraw/zinc/05/10/99/584051099.db2.gz YBXDYTAIIPOHLT-LBPRGKRZSA-N 1 2 246.314 1.247 20 0 BDADLO C=C=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897817850 584051102 /nfs/dbraw/zinc/05/11/02/584051102.db2.gz YBXDYTAIIPOHLT-LBPRGKRZSA-N 1 2 246.314 1.247 20 0 BDADLO C=C=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897817850 584051105 /nfs/dbraw/zinc/05/11/05/584051105.db2.gz YBXDYTAIIPOHLT-LBPRGKRZSA-N 1 2 246.314 1.247 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC ZINC000897833876 584052731 /nfs/dbraw/zinc/05/27/31/584052731.db2.gz BJJKOYYHSJQSGX-GWOFURMSSA-N 1 2 229.320 1.484 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CC[C@@H]1SC)C(=O)OC ZINC000897833880 584052919 /nfs/dbraw/zinc/05/29/19/584052919.db2.gz BJTLQCVVPPHBNK-AEJSXWLSSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](CCC)OC)C(=O)OC ZINC000897834716 584053105 /nfs/dbraw/zinc/05/31/05/584053105.db2.gz XVTZZAHVNXTWGQ-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@H]2C)c[nH+]1 ZINC000897852547 584054673 /nfs/dbraw/zinc/05/46/73/584054673.db2.gz FQDDECVBSMPWOF-GXSJLCMTSA-N 1 2 235.331 1.793 20 0 BDADLO Cc1c[nH+]ccc1CCNc1nccnc1F ZINC000858456879 588956655 /nfs/dbraw/zinc/95/66/55/588956655.db2.gz LSZJPSPPURBZIW-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO CC1(F)CC[NH+](Cn2ccsc2=O)CC1 ZINC000872691162 584126944 /nfs/dbraw/zinc/12/69/44/584126944.db2.gz ABNJELJZNQYILQ-UHFFFAOYSA-N 1 2 230.308 1.691 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494389 584140342 /nfs/dbraw/zinc/14/03/42/584140342.db2.gz AIRRVMDPSPORSB-GHMZBOCLSA-N 1 2 242.338 1.583 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494389 584140343 /nfs/dbraw/zinc/14/03/43/584140343.db2.gz AIRRVMDPSPORSB-GHMZBOCLSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)NCc1cn(C)c[nH+]1 ZINC000898628123 584147034 /nfs/dbraw/zinc/14/70/34/584147034.db2.gz QSSAGLNFECDEFG-UWVGGRQHSA-N 1 2 236.319 1.503 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)NCc1cn(C)c[nH+]1 ZINC000898628122 584147068 /nfs/dbraw/zinc/14/70/68/584147068.db2.gz QSSAGLNFECDEFG-NXEZZACHSA-N 1 2 236.319 1.503 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898628090 584147123 /nfs/dbraw/zinc/14/71/23/584147123.db2.gz QLOGFWVZGPNRDH-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)[C@H]1C ZINC000898626220 584147511 /nfs/dbraw/zinc/14/75/11/584147511.db2.gz CWMQVDMUFSHCQT-ZJUUUORDSA-N 1 2 236.319 1.360 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2(C3CCC3)CC2)c1 ZINC000898616790 584147887 /nfs/dbraw/zinc/14/78/87/584147887.db2.gz UUQWDKLLMWECJI-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(C2CC2)CC1 ZINC000898810296 584160237 /nfs/dbraw/zinc/16/02/37/584160237.db2.gz KDHDYPHWGFEGIE-SNVBAGLBSA-N 1 2 231.299 1.634 20 0 BDADLO CC(C)(CNC(=O)c1cocn1)n1cc[nH+]c1 ZINC000898901806 584164978 /nfs/dbraw/zinc/16/49/78/584164978.db2.gz FZQJOBWCGMPKFB-UHFFFAOYSA-N 1 2 234.259 1.036 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898893557 584165236 /nfs/dbraw/zinc/16/52/36/584165236.db2.gz MKRLGLKFWQPYOY-NXEZZACHSA-N 1 2 221.304 1.390 20 0 BDADLO Cc1occc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899234 584165497 /nfs/dbraw/zinc/16/54/97/584165497.db2.gz KXGMTYUNLFMWAH-UHFFFAOYSA-N 1 2 247.298 1.950 20 0 BDADLO CC(C)[C@H](C)S(=O)(=O)CCc1c[nH+]cn1C ZINC000899477976 584217919 /nfs/dbraw/zinc/21/79/19/584217919.db2.gz JGDBZPZNCJXDLJ-JTQLQIEISA-N 1 2 244.360 1.422 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000899812177 584239668 /nfs/dbraw/zinc/23/96/68/584239668.db2.gz VKUFDZVBLSBXNI-SNVBAGLBSA-N 1 2 239.294 1.264 20 0 BDADLO CCn1cc(C[N@@H+]2CCCC(F)(F)CC2)nn1 ZINC000899884766 584246470 /nfs/dbraw/zinc/24/64/70/584246470.db2.gz VKRWLCQZUAUBEX-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO CCn1cc(C[N@H+]2CCCC(F)(F)CC2)nn1 ZINC000899884766 584246472 /nfs/dbraw/zinc/24/64/72/584246472.db2.gz VKRWLCQZUAUBEX-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO CC(C)OC1C[NH+](C[C@](C)(O)C(F)(F)F)C1 ZINC000899901297 584249929 /nfs/dbraw/zinc/24/99/29/584249929.db2.gz HYBBGNPSRXTLDO-VIFPVBQESA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](C)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899905493 584251390 /nfs/dbraw/zinc/25/13/90/584251390.db2.gz VKNSALBZRMYKLA-UCQJPZFISA-N 1 2 240.347 1.180 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000899916975 584255057 /nfs/dbraw/zinc/25/50/57/584255057.db2.gz DBESCIPERRAQCM-TXEJJXNPSA-N 1 2 247.342 1.998 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000899936729 584258697 /nfs/dbraw/zinc/25/86/97/584258697.db2.gz FUUJHFDUDKJXFT-KOLCDFICSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000899936729 584258700 /nfs/dbraw/zinc/25/87/00/584258700.db2.gz FUUJHFDUDKJXFT-KOLCDFICSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC(C1CC1)C1CC1 ZINC000900076194 584269854 /nfs/dbraw/zinc/26/98/54/584269854.db2.gz LDGQXQOZXLIECH-UHFFFAOYSA-N 1 2 245.326 1.798 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC(C1CC1)C1CC1 ZINC000900078537 584270356 /nfs/dbraw/zinc/27/03/56/584270356.db2.gz WKIBSWXCTZOCFZ-UHFFFAOYSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC(C1CC1)C1CC1 ZINC000900078537 584270358 /nfs/dbraw/zinc/27/03/58/584270358.db2.gz WKIBSWXCTZOCFZ-UHFFFAOYSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900121892 584275201 /nfs/dbraw/zinc/27/52/01/584275201.db2.gz CJMFKAJRZZGNIK-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900121892 584275204 /nfs/dbraw/zinc/27/52/04/584275204.db2.gz CJMFKAJRZZGNIK-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)c(C)c1 ZINC000900122696 584275309 /nfs/dbraw/zinc/27/53/09/584275309.db2.gz RYALRDHRHWVLPZ-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH+]c[nH]2)c(C)c1 ZINC000900122696 584275310 /nfs/dbraw/zinc/27/53/10/584275310.db2.gz RYALRDHRHWVLPZ-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC1CCCC1 ZINC000900109742 584276593 /nfs/dbraw/zinc/27/65/93/584276593.db2.gz PQQUXCPIQQAHJJ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCC1CCCC1 ZINC000900109742 584276595 /nfs/dbraw/zinc/27/65/95/584276595.db2.gz PQQUXCPIQQAHJJ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO Cc1cccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000900127511 584279844 /nfs/dbraw/zinc/27/98/44/584279844.db2.gz JEAGKXPPILNNJI-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO C[C@@H](Cc1cccs1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900166522 584281715 /nfs/dbraw/zinc/28/17/15/584281715.db2.gz KSNVQGYTIXYURD-VIFPVBQESA-N 1 2 249.339 1.761 20 0 BDADLO C[C@@H](Cc1cccs1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900166522 584281718 /nfs/dbraw/zinc/28/17/18/584281718.db2.gz KSNVQGYTIXYURD-VIFPVBQESA-N 1 2 249.339 1.761 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900193941 584284661 /nfs/dbraw/zinc/28/46/61/584284661.db2.gz VFQFVZVAASQFSO-SECBINFHSA-N 1 2 209.293 1.599 20 0 BDADLO C[C@H](C1CC1)N(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900174937 584285261 /nfs/dbraw/zinc/28/52/61/584285261.db2.gz WOVHBQMKLXLKLM-SECBINFHSA-N 1 2 233.315 1.742 20 0 BDADLO Cc1ccn2cc(CNC(=O)CCF)[nH+]c2c1 ZINC000900322188 584294743 /nfs/dbraw/zinc/29/47/43/584294743.db2.gz HEVIARGQUDEQCY-UHFFFAOYSA-N 1 2 235.262 1.619 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000900368239 584297515 /nfs/dbraw/zinc/29/75/15/584297515.db2.gz BGYRHOUQXDHWLL-CHWSQXEVSA-N 1 2 241.294 1.625 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000900368239 584297516 /nfs/dbraw/zinc/29/75/16/584297516.db2.gz BGYRHOUQXDHWLL-CHWSQXEVSA-N 1 2 241.294 1.625 20 0 BDADLO C[C@H]1CCCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900372037 584298343 /nfs/dbraw/zinc/29/83/43/584298343.db2.gz NCQKBVDFHMJILN-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900372037 584298344 /nfs/dbraw/zinc/29/83/44/584298344.db2.gz NCQKBVDFHMJILN-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO CN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900428939 584308312 /nfs/dbraw/zinc/30/83/12/584308312.db2.gz FTGZVKSHUQCMOT-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cnoc1 ZINC000900473871 584317401 /nfs/dbraw/zinc/31/74/01/584317401.db2.gz KNXTYGSBEOYCIU-VIFPVBQESA-N 1 2 223.276 1.486 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cnoc1 ZINC000900473871 584317402 /nfs/dbraw/zinc/31/74/02/584317402.db2.gz KNXTYGSBEOYCIU-VIFPVBQESA-N 1 2 223.276 1.486 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000900541792 584324354 /nfs/dbraw/zinc/32/43/54/584324354.db2.gz QZCKGCYFDSXZDI-RKDXNWHRSA-N 1 2 205.261 1.018 20 0 BDADLO CC[C@@H](O)[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000900617007 584332607 /nfs/dbraw/zinc/33/26/07/584332607.db2.gz NNWVBWZKZJSGDI-GXSJLCMTSA-N 1 2 222.288 1.157 20 0 BDADLO CCOC(=O)C1=CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000858732934 588975507 /nfs/dbraw/zinc/97/55/07/588975507.db2.gz GBUKIBFHWDKANN-NSHDSACASA-N 1 2 247.298 1.849 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900629017 584333506 /nfs/dbraw/zinc/33/35/06/584333506.db2.gz FMELHKNFWLPNCR-UHFFFAOYSA-N 1 2 237.303 1.373 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](c2ccco2)C1 ZINC000900655438 584336273 /nfs/dbraw/zinc/33/62/73/584336273.db2.gz JVCKJKIIWDVAEJ-SNVBAGLBSA-N 1 2 245.282 1.561 20 0 BDADLO C[C@@H]1[C@H](C)SCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900758665 584346021 /nfs/dbraw/zinc/34/60/21/584346021.db2.gz WJICKNDAPXUIPD-BDAKNGLRSA-N 1 2 239.344 1.305 20 0 BDADLO C/C(=C(\F)C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000900780075 584350446 /nfs/dbraw/zinc/35/04/46/584350446.db2.gz HZXOVLKGSPODJN-JXMROGBWSA-N 1 2 223.251 1.679 20 0 BDADLO CC(=C(F)C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000900780075 584350448 /nfs/dbraw/zinc/35/04/48/584350448.db2.gz HZXOVLKGSPODJN-JXMROGBWSA-N 1 2 223.251 1.679 20 0 BDADLO C/C(Cl)=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000900787718 584351481 /nfs/dbraw/zinc/35/14/81/584351481.db2.gz RJVQAPHSQORLQW-UMYFRRCYSA-N 1 2 241.722 1.778 20 0 BDADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000900839369 584355697 /nfs/dbraw/zinc/35/56/97/584355697.db2.gz FZIITVIVJDYVEZ-GHMZBOCLSA-N 1 2 249.314 1.035 20 0 BDADLO C[C@H]1CCN(C(=O)CNc2cccc[nH+]2)[C@H]1C ZINC000900944857 584368358 /nfs/dbraw/zinc/36/83/58/584368358.db2.gz DBXMUGHRRFXNMY-QWRGUYRKSA-N 1 2 233.315 1.750 20 0 BDADLO CC/C=C(/F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001494 584373018 /nfs/dbraw/zinc/37/30/18/584373018.db2.gz WVGNQTSNAYSNFQ-WEVVVXLNSA-N 1 2 225.267 1.906 20 0 BDADLO CCC=C(F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001494 584373021 /nfs/dbraw/zinc/37/30/21/584373021.db2.gz WVGNQTSNAYSNFQ-WEVVVXLNSA-N 1 2 225.267 1.906 20 0 BDADLO CC(C)c1nc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc[nH+]1 ZINC000858846007 588978460 /nfs/dbraw/zinc/97/84/60/588978460.db2.gz VRXIGQCAZCYIAQ-DMDPSCGWSA-N 1 2 247.342 1.950 20 0 BDADLO CCC[C@H](O)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999242 584374827 /nfs/dbraw/zinc/37/48/27/584374827.db2.gz ZTLQZOBFALFZGK-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO C[C@@H]1CCN(C(=O)CCF)C[C@@H]1n1cc[nH+]c1 ZINC000901040417 584376627 /nfs/dbraw/zinc/37/66/27/584376627.db2.gz JZQRUEXBQJEKFX-MNOVXSKESA-N 1 2 239.294 1.652 20 0 BDADLO CC[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000901022283 584378143 /nfs/dbraw/zinc/37/81/43/584378143.db2.gz SMVXSBCDHDOJOI-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000901022283 584378144 /nfs/dbraw/zinc/37/81/44/584378144.db2.gz SMVXSBCDHDOJOI-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1ccnn1CC1CC1 ZINC000901089678 584383530 /nfs/dbraw/zinc/38/35/30/584383530.db2.gz MPIXFSXRNNLIAG-UHFFFAOYSA-N 1 2 245.286 1.197 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccnn1CC1CC1 ZINC000901089678 584383531 /nfs/dbraw/zinc/38/35/31/584383531.db2.gz MPIXFSXRNNLIAG-UHFFFAOYSA-N 1 2 245.286 1.197 20 0 BDADLO C/C(Cl)=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000901120256 584386516 /nfs/dbraw/zinc/38/65/16/584386516.db2.gz YZVJCHXEPGRKBB-CSKARUKUSA-N 1 2 241.722 1.874 20 0 BDADLO CCc1ncsc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000901159164 584391039 /nfs/dbraw/zinc/39/10/39/584391039.db2.gz JYHXOAUJJCSIJQ-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO CCc1ncsc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000901159164 584391043 /nfs/dbraw/zinc/39/10/43/584391043.db2.gz JYHXOAUJJCSIJQ-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000901197876 584397608 /nfs/dbraw/zinc/39/76/08/584397608.db2.gz FHWVXIHXJCVEQK-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901197876 584397611 /nfs/dbraw/zinc/39/76/11/584397611.db2.gz FHWVXIHXJCVEQK-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO Cc1ocnc1CNC(=O)CNc1cccc[nH+]1 ZINC000901243629 584407336 /nfs/dbraw/zinc/40/73/36/584407336.db2.gz MBSXUEQSSDCWAZ-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CNc2cccc[nH+]2)CCO1 ZINC000901293408 584423255 /nfs/dbraw/zinc/42/32/55/584423255.db2.gz FOXSFXZNIDXSNM-MNOVXSKESA-N 1 2 249.314 1.177 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1cncc(F)c1 ZINC000901342866 584428351 /nfs/dbraw/zinc/42/83/51/584428351.db2.gz BCHAQKMRPCUAAJ-QMMMGPOBSA-N 1 2 248.261 1.364 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)c1cncc(F)c1 ZINC000901342866 584428352 /nfs/dbraw/zinc/42/83/52/584428352.db2.gz BCHAQKMRPCUAAJ-QMMMGPOBSA-N 1 2 248.261 1.364 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1COCc1[nH]cc[nH+]1 ZINC000901528842 584458651 /nfs/dbraw/zinc/45/86/51/584458651.db2.gz LUVYRIUDBLKAKH-DTWKUNHWSA-N 1 2 224.260 1.126 20 0 BDADLO N=C1NC(=O)/C(=C\c2cn(C3CC3)c[nH+]2)S1 ZINC000901539206 584460410 /nfs/dbraw/zinc/46/04/10/584460410.db2.gz IBUJNWYGCHVGGM-FPYGCLRLSA-N 1 2 234.284 1.357 20 0 BDADLO CC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C(=O)OC ZINC000901663334 584477115 /nfs/dbraw/zinc/47/71/15/584477115.db2.gz NIKZLDNLVJWYMR-JJOYANBFSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1ccc(CCC[N@H+](CC(=O)[O-])C2CC2)c[nH+]1 ZINC000901970565 584509140 /nfs/dbraw/zinc/50/91/40/584509140.db2.gz OBZYGTOPHUKWJI-UHFFFAOYSA-N 1 2 248.326 1.872 20 0 BDADLO Cc1ccc(CCC[N@@H+](CC(=O)[O-])C2CC2)c[nH+]1 ZINC000901970565 584509141 /nfs/dbraw/zinc/50/91/41/584509141.db2.gz OBZYGTOPHUKWJI-UHFFFAOYSA-N 1 2 248.326 1.872 20 0 BDADLO COCc1cc(CNc2cc[nH+]cc2F)no1 ZINC000902067160 584523271 /nfs/dbraw/zinc/52/32/71/584523271.db2.gz UFVNWMXNSUYAAW-UHFFFAOYSA-N 1 2 237.234 1.389 20 0 BDADLO Cc1[nH]c(CN=c2nc[nH]n2C(C)C)[nH+]c1C ZINC000902113290 584527054 /nfs/dbraw/zinc/52/70/54/584527054.db2.gz DKONECCPUPFCRX-UHFFFAOYSA-N 1 2 234.307 1.233 20 0 BDADLO Cc1[nH]c(CNc2ncc3c(n2)COC3)[nH+]c1C ZINC000902145794 584530400 /nfs/dbraw/zinc/53/04/00/584530400.db2.gz HMEZKPSCWQKTGU-UHFFFAOYSA-N 1 2 245.286 1.459 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)c1 ZINC000902234574 584542486 /nfs/dbraw/zinc/54/24/86/584542486.db2.gz XAPLUGCIYIQFEV-STQMWFEESA-N 1 2 247.342 1.376 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)c1 ZINC000902234574 584542487 /nfs/dbraw/zinc/54/24/87/584542487.db2.gz XAPLUGCIYIQFEV-STQMWFEESA-N 1 2 247.342 1.376 20 0 BDADLO CCCc1nnnn1Cc1ccc(N(C)C)[nH+]c1 ZINC000902252309 584543470 /nfs/dbraw/zinc/54/34/70/584543470.db2.gz HRLPIKNGEQVPNP-UHFFFAOYSA-N 1 2 246.318 1.135 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCCC(C)(F)F ZINC000902281990 584547147 /nfs/dbraw/zinc/54/71/47/584547147.db2.gz ONMUUPYNFMZDSA-ZETCQYMHSA-N 1 2 224.251 1.955 20 0 BDADLO COC[C@@H]1CC[N@@H+]1CN1Cc2ccccc2C1=O ZINC000902281089 584547153 /nfs/dbraw/zinc/54/71/53/584547153.db2.gz WWJFGODEGBSBJU-LBPRGKRZSA-N 1 2 246.310 1.321 20 0 BDADLO COC[C@@H]1CC[N@H+]1CN1Cc2ccccc2C1=O ZINC000902281089 584547155 /nfs/dbraw/zinc/54/71/55/584547155.db2.gz WWJFGODEGBSBJU-LBPRGKRZSA-N 1 2 246.310 1.321 20 0 BDADLO CCn1c[nH+]c(CNc2cnn(CCOC)c2)c1 ZINC000902317983 584551675 /nfs/dbraw/zinc/55/16/75/584551675.db2.gz XBQLGTQOHLHFFG-UHFFFAOYSA-N 1 2 249.318 1.358 20 0 BDADLO CC[C@H]1C[NH+](CN2CCOC2=O)C[C@H](CC)O1 ZINC000902300436 584553510 /nfs/dbraw/zinc/55/35/10/584553510.db2.gz MECSJLSQHSVTLG-QWRGUYRKSA-N 1 2 242.319 1.286 20 0 BDADLO C[C@H]1C[NH+](Cc2ccnc(F)c2)C[C@H](C)O1 ZINC000859056802 588995082 /nfs/dbraw/zinc/99/50/82/588995082.db2.gz ZYYDCZBDRHCYPW-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO CCc1ncn(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000902410467 584576395 /nfs/dbraw/zinc/57/63/95/584576395.db2.gz RBNVDOBESYJNRK-UHFFFAOYSA-N 1 2 231.303 1.350 20 0 BDADLO CC[C@@H]1C[C@H]1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000902381205 584576815 /nfs/dbraw/zinc/57/68/15/584576815.db2.gz LXHXGYZSGJHJIQ-UTLUCORTSA-N 1 2 212.293 1.710 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(F)c2)CCO1 ZINC000859073511 588997030 /nfs/dbraw/zinc/99/70/30/588997030.db2.gz JWDPHPWGMOORCL-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(F)c2)CCO1 ZINC000859073511 588997032 /nfs/dbraw/zinc/99/70/32/588997032.db2.gz JWDPHPWGMOORCL-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000902536902 584628284 /nfs/dbraw/zinc/62/82/84/584628284.db2.gz LGHBBAJFWQIIFI-GFCCVEGCSA-N 1 2 238.331 1.067 20 0 BDADLO O=C1CCCN1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000902536902 584628285 /nfs/dbraw/zinc/62/82/85/584628285.db2.gz LGHBBAJFWQIIFI-GFCCVEGCSA-N 1 2 238.331 1.067 20 0 BDADLO CCn1c[nH+]c(CNCc2nn(CC)nc2C)c1 ZINC000902606333 584642387 /nfs/dbraw/zinc/64/23/87/584642387.db2.gz NODZEKMQZCXFKG-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1cc[nH]c1=S ZINC000902636055 584648350 /nfs/dbraw/zinc/64/83/50/584648350.db2.gz DSSLBUVVKCINEU-DTWKUNHWSA-N 1 2 227.333 1.239 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1cc[nH]c1=S ZINC000902636055 584648352 /nfs/dbraw/zinc/64/83/52/584648352.db2.gz DSSLBUVVKCINEU-DTWKUNHWSA-N 1 2 227.333 1.239 20 0 BDADLO CCn1c[nH+]c(CNc2ccn(CCF)n2)c1 ZINC000902634190 584648619 /nfs/dbraw/zinc/64/86/19/584648619.db2.gz BNHIHUWSPBDEOU-UHFFFAOYSA-N 1 2 237.282 1.681 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC1CC(C)C1 ZINC000902702756 584658682 /nfs/dbraw/zinc/65/86/82/584658682.db2.gz ZNKAIGIEUHGKIC-UHFFFAOYSA-N 1 2 214.309 1.956 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)COC1CCC1 ZINC000902775456 584668594 /nfs/dbraw/zinc/66/85/94/584668594.db2.gz WGUJIRQSNZIGKF-POHAHGRESA-N 1 2 242.319 1.647 20 0 BDADLO Cn1c[nH+]c2cc(OCC3(C)COC3)ccc21 ZINC000902779460 584669719 /nfs/dbraw/zinc/66/97/19/584669719.db2.gz BXKCXNWXNRUMKF-UHFFFAOYSA-N 1 2 232.283 1.989 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@@H]3COCCO3)ccc21 ZINC000902781213 584670218 /nfs/dbraw/zinc/67/02/18/584670218.db2.gz JUFFGBAVQJZPOI-NSHDSACASA-N 1 2 248.282 1.368 20 0 BDADLO Cn1c[nH+]c2cc(OCc3cnn(C)n3)ccc21 ZINC000902781203 584670286 /nfs/dbraw/zinc/67/02/86/584670286.db2.gz JKESNUNTFKFTBK-UHFFFAOYSA-N 1 2 243.270 1.281 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N2CCCC2)c2[nH+]ccn21 ZINC000902943584 584695779 /nfs/dbraw/zinc/69/57/79/584695779.db2.gz SRLKGPUDJRLNNU-NXEZZACHSA-N 1 2 234.303 1.694 20 0 BDADLO C[C@H](C[N@@H+]1CCC[C@H](F)C1)CS(C)(=O)=O ZINC000902998026 584714228 /nfs/dbraw/zinc/71/42/28/584714228.db2.gz DXYSPZJBDSGKDK-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@H](C[N@H+]1CCC[C@H](F)C1)CS(C)(=O)=O ZINC000902998026 584714230 /nfs/dbraw/zinc/71/42/30/584714230.db2.gz DXYSPZJBDSGKDK-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001559 584715475 /nfs/dbraw/zinc/71/54/75/584715475.db2.gz PGVMXRZUWQRYBC-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001559 584715476 /nfs/dbraw/zinc/71/54/76/584715476.db2.gz PGVMXRZUWQRYBC-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000614 584715617 /nfs/dbraw/zinc/71/56/17/584715617.db2.gz HQFMCVLDDAGPCD-ZJUUUORDSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](F)C1 ZINC000903000614 584715618 /nfs/dbraw/zinc/71/56/18/584715618.db2.gz HQFMCVLDDAGPCD-ZJUUUORDSA-N 1 2 230.327 1.724 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cn(C)cn2)n(C)n1 ZINC000903352418 584755417 /nfs/dbraw/zinc/75/54/17/584755417.db2.gz ULGUORONNWGVMX-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO CCCOC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000859138511 589008180 /nfs/dbraw/zinc/00/81/80/589008180.db2.gz HZXBCJVHKYOCLP-LLVKDONJSA-N 1 2 244.335 1.186 20 0 BDADLO Cc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)co1 ZINC000802238376 584883117 /nfs/dbraw/zinc/88/31/17/584883117.db2.gz HPNOCUQYHDJMRB-NSHDSACASA-N 1 2 241.262 1.789 20 0 BDADLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)co1 ZINC000802238376 584883118 /nfs/dbraw/zinc/88/31/18/584883118.db2.gz HPNOCUQYHDJMRB-NSHDSACASA-N 1 2 241.262 1.789 20 0 BDADLO O=C(C[N@@H+]1CCCOCC1)OCc1ccccc1 ZINC000731031376 584921448 /nfs/dbraw/zinc/92/14/48/584921448.db2.gz SQUKDVIXOZRJIA-UHFFFAOYSA-N 1 2 249.310 1.452 20 0 BDADLO O=C(C[N@H+]1CCCOCC1)OCc1ccccc1 ZINC000731031376 584921449 /nfs/dbraw/zinc/92/14/49/584921449.db2.gz SQUKDVIXOZRJIA-UHFFFAOYSA-N 1 2 249.310 1.452 20 0 BDADLO C/C=C(/CC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800213294 584944335 /nfs/dbraw/zinc/94/43/35/584944335.db2.gz WPKXOICIDNABCO-JXMFCEOTSA-N 1 2 241.331 1.607 20 0 BDADLO C/C=C(/CC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800213294 584944336 /nfs/dbraw/zinc/94/43/36/584944336.db2.gz WPKXOICIDNABCO-JXMFCEOTSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@H](C)CC2=O)C[C@@H](C)O1 ZINC000733297167 584946281 /nfs/dbraw/zinc/94/62/81/584946281.db2.gz WRJQPWXEQYVZAM-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@H](C)CC2=O)C[C@@H](C)O1 ZINC000733297167 584946282 /nfs/dbraw/zinc/94/62/82/584946282.db2.gz WRJQPWXEQYVZAM-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OCCCCO ZINC000733445696 584948842 /nfs/dbraw/zinc/94/88/42/584948842.db2.gz UBNLNARDIVZYCM-UHFFFAOYSA-N 1 2 238.287 1.361 20 0 BDADLO O=C(/C=C/c1ccco1)N1CC(n2cc[nH+]c2)C1 ZINC000733884185 584954089 /nfs/dbraw/zinc/95/40/89/584954089.db2.gz DGTPARIDLFUXHC-ONEGZZNKSA-N 1 2 243.266 1.573 20 0 BDADLO CCCC(C)=CC(=O)NCc1[nH]cc[nH+]1 ZINC000733955872 584955522 /nfs/dbraw/zinc/95/55/22/584955522.db2.gz QSIGFQKJIFFXJI-VQHVLOKHSA-N 1 2 207.277 1.772 20 0 BDADLO CCC/C(C)=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000733955872 584955523 /nfs/dbraw/zinc/95/55/23/584955523.db2.gz QSIGFQKJIFFXJI-VQHVLOKHSA-N 1 2 207.277 1.772 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccnc(F)c1 ZINC000859190666 589017077 /nfs/dbraw/zinc/01/70/77/589017077.db2.gz NQWQRWWVKBPKRM-UHFFFAOYSA-N 1 2 240.278 1.604 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccnc(F)c1 ZINC000859190666 589017079 /nfs/dbraw/zinc/01/70/79/589017079.db2.gz NQWQRWWVKBPKRM-UHFFFAOYSA-N 1 2 240.278 1.604 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781542 585007789 /nfs/dbraw/zinc/00/77/89/585007789.db2.gz KGSLHWAUKPRODP-HRDYMLBCSA-N 1 2 226.345 1.886 20 0 BDADLO CC[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000352963661 585016358 /nfs/dbraw/zinc/01/63/58/585016358.db2.gz WXGCYTIMDWNPDL-NSHDSACASA-N 1 2 221.304 1.743 20 0 BDADLO CC[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000352963661 585016359 /nfs/dbraw/zinc/01/63/59/585016359.db2.gz WXGCYTIMDWNPDL-NSHDSACASA-N 1 2 221.304 1.743 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000736859573 585018084 /nfs/dbraw/zinc/01/80/84/585018084.db2.gz DINVJAPDRWMUBC-GHMZBOCLSA-N 1 2 237.303 1.383 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000736859573 585018085 /nfs/dbraw/zinc/01/80/85/585018085.db2.gz DINVJAPDRWMUBC-GHMZBOCLSA-N 1 2 237.303 1.383 20 0 BDADLO CCC(C)(C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890111012 585023971 /nfs/dbraw/zinc/02/39/71/585023971.db2.gz ZGNHQVXPOUDVHL-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO CSC[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113383 585024010 /nfs/dbraw/zinc/02/40/10/585024010.db2.gz BFRQTKYSOHCDEB-QMMMGPOBSA-N 1 2 227.333 1.035 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788083671 585030883 /nfs/dbraw/zinc/03/08/83/585030883.db2.gz LYMDJAHQOYOILJ-OPRDCNLKSA-N 1 2 215.268 1.229 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788083671 585030884 /nfs/dbraw/zinc/03/08/84/585030884.db2.gz LYMDJAHQOYOILJ-OPRDCNLKSA-N 1 2 215.268 1.229 20 0 BDADLO CC(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000737569412 585036214 /nfs/dbraw/zinc/03/62/14/585036214.db2.gz WPIMIRXRCIWPCQ-UHFFFAOYSA-N 1 2 202.213 1.798 20 0 BDADLO C[C@@H](C(=O)OCCc1c[nH+]cn1C)C1CCC1 ZINC000838388073 585055664 /nfs/dbraw/zinc/05/56/64/585055664.db2.gz YWKOPLOKDPLHEJ-SNVBAGLBSA-N 1 2 236.315 1.942 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838640548 585064088 /nfs/dbraw/zinc/06/40/88/585064088.db2.gz XMKQSPFXUCCPQO-OUAUKWLOSA-N 1 2 248.330 1.910 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC000838780775 585069575 /nfs/dbraw/zinc/06/95/75/585069575.db2.gz GFRQIMHUFVYBDE-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC000838780775 585069576 /nfs/dbraw/zinc/06/95/76/585069576.db2.gz GFRQIMHUFVYBDE-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+](C)CC(C)(C)OC)n1 ZINC000838859066 585075604 /nfs/dbraw/zinc/07/56/04/585075604.db2.gz CDSYXGJVHMQNOK-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncc(C[N@@H+](C)CC(C)(C)OC)n1 ZINC000838859066 585075605 /nfs/dbraw/zinc/07/56/05/585075605.db2.gz CDSYXGJVHMQNOK-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccsc2)n1 ZINC000838888231 585078545 /nfs/dbraw/zinc/07/85/45/585078545.db2.gz CLEOSJXWSVABRW-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2ccco2)n1 ZINC000838894461 585078773 /nfs/dbraw/zinc/07/87/73/585078773.db2.gz IHBSNDMNKHOZNX-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCOC(=O)CC(C)(C)C[NH2+]CC(F)F ZINC000839093681 585090376 /nfs/dbraw/zinc/09/03/76/585090376.db2.gz VSOHAKHLBILWHB-UHFFFAOYSA-N 1 2 223.263 1.821 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(CO)C2)cnc1Cl ZINC000839145967 585092405 /nfs/dbraw/zinc/09/24/05/585092405.db2.gz XVIDMBHUDDCTLE-UHFFFAOYSA-N 1 2 240.734 1.858 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000839133951 585093949 /nfs/dbraw/zinc/09/39/49/585093949.db2.gz ZVBAKUNEJDFBFE-UHFFFAOYSA-N 1 2 247.342 1.557 20 0 BDADLO CC(C)CN(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000867012138 585103665 /nfs/dbraw/zinc/10/36/65/585103665.db2.gz AWHYSMMNNRHTMR-UHFFFAOYSA-N 1 2 210.281 1.207 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(C)=O ZINC000741148034 585110638 /nfs/dbraw/zinc/11/06/38/585110638.db2.gz GPZVUGUVHFNBEZ-GHMZBOCLSA-N 1 2 227.304 1.382 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(C)=O ZINC000741148034 585110639 /nfs/dbraw/zinc/11/06/39/585110639.db2.gz GPZVUGUVHFNBEZ-GHMZBOCLSA-N 1 2 227.304 1.382 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1cn(C)nn1)c1ccccn1 ZINC000742371904 585125239 /nfs/dbraw/zinc/12/52/39/585125239.db2.gz ILGWCTDSBQRKHB-ZDUSSCGKSA-N 1 2 245.330 1.697 20 0 BDADLO COCCOC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000743480861 585137484 /nfs/dbraw/zinc/13/74/84/585137484.db2.gz QNVCDOWSVCQSRV-IUCAKERBSA-N 1 2 243.307 1.080 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cccnc1 ZINC000745082449 585156128 /nfs/dbraw/zinc/15/61/28/585156128.db2.gz PHQYZZAISLPUIT-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cccnc1 ZINC000745082449 585156129 /nfs/dbraw/zinc/15/61/29/585156129.db2.gz PHQYZZAISLPUIT-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO Cc1cnc(COC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC000745080532 585156230 /nfs/dbraw/zinc/15/62/30/585156230.db2.gz SUSXDNUKAPABKI-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cnc(COC(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC000745080532 585156231 /nfs/dbraw/zinc/15/62/31/585156231.db2.gz SUSXDNUKAPABKI-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745084125 585156784 /nfs/dbraw/zinc/15/67/84/585156784.db2.gz HCSDVCXEXGZTAR-NXEZZACHSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745084125 585156785 /nfs/dbraw/zinc/15/67/85/585156785.db2.gz HCSDVCXEXGZTAR-NXEZZACHSA-N 1 2 227.304 1.382 20 0 BDADLO COC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000746863774 585172969 /nfs/dbraw/zinc/17/29/69/585172969.db2.gz AWOUJBPQHIMXLS-UHFFFAOYSA-N 1 2 238.287 1.905 20 0 BDADLO Cc1cc(NC(=O)c2ccc(F)nc2)c(C)c[nH+]1 ZINC000747527425 585180239 /nfs/dbraw/zinc/18/02/39/585180239.db2.gz UMXKHJRQHGYHSY-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CC(C)(C)CCC(=O)OCC[NH+]1CCOCC1 ZINC000747702982 585182373 /nfs/dbraw/zinc/18/23/73/585182373.db2.gz OHESWHNEAFJRHR-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CCC[C@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000747693110 585182389 /nfs/dbraw/zinc/18/23/89/585182389.db2.gz GPVAIJXHPPYTHY-LBPRGKRZSA-N 1 2 243.347 1.688 20 0 BDADLO COc1ccc(C(=O)OCc2c[nH+]cn2C)cn1 ZINC000747780124 585184246 /nfs/dbraw/zinc/18/42/46/585184246.db2.gz BTINTHOHPHJNNW-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@H]1CCCO1 ZINC000747782255 585184368 /nfs/dbraw/zinc/18/43/68/585184368.db2.gz GRODQLBCCWMTRM-SNVBAGLBSA-N 1 2 224.260 1.032 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000748321569 585190681 /nfs/dbraw/zinc/19/06/81/585190681.db2.gz GFRLCPUDRNEWCP-MRVPVSSYSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000748321569 585190682 /nfs/dbraw/zinc/19/06/82/585190682.db2.gz GFRLCPUDRNEWCP-MRVPVSSYSA-N 1 2 207.277 1.462 20 0 BDADLO C/C=C(\C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000751351181 585227097 /nfs/dbraw/zinc/22/70/97/585227097.db2.gz TZJNXMTZYDTCNG-BJMVGYQFSA-N 1 2 233.315 1.730 20 0 BDADLO CC(C)=C(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000751387617 585229216 /nfs/dbraw/zinc/22/92/16/585229216.db2.gz YQIQDQWLBDRVGZ-LLVKDONJSA-N 1 2 235.331 1.992 20 0 BDADLO CS/C=C/C(=O)Nc1ccc[nH+]c1N(C)C ZINC000751564050 585232966 /nfs/dbraw/zinc/23/29/66/585232966.db2.gz TZROAZHXPDKTHE-SOFGYWHQSA-N 1 2 237.328 1.963 20 0 BDADLO CC(C)CC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000751669036 585235115 /nfs/dbraw/zinc/23/51/15/585235115.db2.gz SZVYOIZLBSQSMD-LBPRGKRZSA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)CC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000751669036 585235116 /nfs/dbraw/zinc/23/51/16/585235116.db2.gz SZVYOIZLBSQSMD-LBPRGKRZSA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)C[N@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000753737581 585267427 /nfs/dbraw/zinc/26/74/27/585267427.db2.gz HFKPGZOWILQHDK-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)C[N@@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000753737581 585267428 /nfs/dbraw/zinc/26/74/28/585267428.db2.gz HFKPGZOWILQHDK-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1CCOC[C@@H](C)C1 ZINC000753985959 585274068 /nfs/dbraw/zinc/27/40/68/585274068.db2.gz KOLYZDOTAIFANM-VIFPVBQESA-N 1 2 243.738 1.771 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000753985959 585274069 /nfs/dbraw/zinc/27/40/69/585274069.db2.gz KOLYZDOTAIFANM-VIFPVBQESA-N 1 2 243.738 1.771 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC000754043542 585276115 /nfs/dbraw/zinc/27/61/15/585276115.db2.gz MWBGHASGLZNRBP-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000754043542 585276116 /nfs/dbraw/zinc/27/61/16/585276116.db2.gz MWBGHASGLZNRBP-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000859219547 589020660 /nfs/dbraw/zinc/02/06/60/589020660.db2.gz AZPVWBQXEDVZNX-GHMZBOCLSA-N 1 2 244.335 1.232 20 0 BDADLO CCCOC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000859219547 589020662 /nfs/dbraw/zinc/02/06/62/589020662.db2.gz AZPVWBQXEDVZNX-GHMZBOCLSA-N 1 2 244.335 1.232 20 0 BDADLO CCc1cnc(C[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000754384490 585284016 /nfs/dbraw/zinc/28/40/16/585284016.db2.gz BZBAKDGRXAVUEG-JTQLQIEISA-N 1 2 224.304 1.705 20 0 BDADLO CCc1cnc(C[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000754384490 585284017 /nfs/dbraw/zinc/28/40/17/585284017.db2.gz BZBAKDGRXAVUEG-JTQLQIEISA-N 1 2 224.304 1.705 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000755070532 585294271 /nfs/dbraw/zinc/29/42/71/585294271.db2.gz BLBLYXXWLRKXEG-VXGBXAGGSA-N 1 2 242.363 1.859 20 0 BDADLO C/C=C(\C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756138216 585315163 /nfs/dbraw/zinc/31/51/63/585315163.db2.gz RWOJAKJAAQWQFP-LLMHMKPQSA-N 1 2 233.315 1.702 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)CCCO1 ZINC000756296097 585317066 /nfs/dbraw/zinc/31/70/66/585317066.db2.gz SIWQWKIVQSWXEI-NSHDSACASA-N 1 2 224.260 1.032 20 0 BDADLO O=c1[nH]c(C[N@@H+]2CC[C@@H]3C[C@@H]32)nc2ccccc21 ZINC000839533176 585329277 /nfs/dbraw/zinc/32/92/77/585329277.db2.gz FZMNFOMMOPPUQU-SKDRFNHKSA-N 1 2 241.294 1.930 20 0 BDADLO O=c1[nH]c(C[N@H+]2CC[C@@H]3C[C@@H]32)nc2ccccc21 ZINC000839533176 585329278 /nfs/dbraw/zinc/32/92/78/585329278.db2.gz FZMNFOMMOPPUQU-SKDRFNHKSA-N 1 2 241.294 1.930 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000839660598 585334228 /nfs/dbraw/zinc/33/42/28/585334228.db2.gz NDBSFJNUKYLZIL-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO COC1([C@@H](C)[NH2+]CC(=O)OCC(C)C)CCC1 ZINC000839660014 585334273 /nfs/dbraw/zinc/33/42/73/585334273.db2.gz JWAKOAUXDLRDLI-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CC1(CC(=O)OCC[NH+]2CCOCC2)CC1 ZINC000758828339 585360427 /nfs/dbraw/zinc/36/04/27/585360427.db2.gz NKSQWQZJMSJOID-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO CCCNC(=O)C[N@H+](CCC)CCF ZINC000759328913 585367485 /nfs/dbraw/zinc/36/74/85/585367485.db2.gz UMOARIVKZIEKSH-UHFFFAOYSA-N 1 2 204.289 1.194 20 0 BDADLO CCCNC(=O)C[N@@H+](CCC)CCF ZINC000759328913 585367486 /nfs/dbraw/zinc/36/74/86/585367486.db2.gz UMOARIVKZIEKSH-UHFFFAOYSA-N 1 2 204.289 1.194 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCF ZINC000759343349 585369674 /nfs/dbraw/zinc/36/96/74/585369674.db2.gz ODRRYNKRBVNYIZ-VIFPVBQESA-N 1 2 203.257 1.372 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCF ZINC000759343349 585369675 /nfs/dbraw/zinc/36/96/75/585369675.db2.gz ODRRYNKRBVNYIZ-VIFPVBQESA-N 1 2 203.257 1.372 20 0 BDADLO COC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759480945 585373714 /nfs/dbraw/zinc/37/37/14/585373714.db2.gz FCZUCBCGHMUASR-UWVGGRQHSA-N 1 2 223.276 1.532 20 0 BDADLO C/C=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759470490 585373727 /nfs/dbraw/zinc/37/37/27/585373727.db2.gz SEDLTGYTKYOMEI-QSKOYVBTSA-N 1 2 233.315 1.869 20 0 BDADLO CCC(=O)CCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000759528964 585374709 /nfs/dbraw/zinc/37/47/09/585374709.db2.gz DSAATMDBHFHKIT-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCC(=O)CCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000759528964 585374710 /nfs/dbraw/zinc/37/47/10/585374710.db2.gz DSAATMDBHFHKIT-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO ClC1(Cl)C[C@H]1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000759551672 585375611 /nfs/dbraw/zinc/37/56/11/585375611.db2.gz XWUOTPVLNOBLLA-LURJTMIESA-N 1 2 247.129 1.357 20 0 BDADLO ClC1(Cl)C[C@H]1C[N@H+]1CCc2n[nH]nc2C1 ZINC000759551672 585375612 /nfs/dbraw/zinc/37/56/12/585375612.db2.gz XWUOTPVLNOBLLA-LURJTMIESA-N 1 2 247.129 1.357 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cncc(F)c1 ZINC000759565369 585376355 /nfs/dbraw/zinc/37/63/55/585376355.db2.gz XRMNLRYAOCOTDX-UHFFFAOYSA-N 1 2 235.218 1.311 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)C1CC(O)C1 ZINC000759875193 585381513 /nfs/dbraw/zinc/38/15/13/585381513.db2.gz ZSHNGOKGKLBQNH-UHFFFAOYSA-N 1 2 239.319 1.322 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)C1CC(O)C1 ZINC000759875193 585381514 /nfs/dbraw/zinc/38/15/14/585381514.db2.gz ZSHNGOKGKLBQNH-UHFFFAOYSA-N 1 2 239.319 1.322 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CC12CCC2 ZINC000759978459 585383554 /nfs/dbraw/zinc/38/35/54/585383554.db2.gz OFAYFFXBSPVZAB-NSHDSACASA-N 1 2 239.315 1.052 20 0 BDADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc[nH]1 ZINC000760320716 585390142 /nfs/dbraw/zinc/39/01/42/585390142.db2.gz JGRLGVHYEKBJJP-SECBINFHSA-N 1 2 247.302 1.309 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761085124 585407408 /nfs/dbraw/zinc/40/74/08/585407408.db2.gz ANNXGZLDNMPNMH-ZJUUUORDSA-N 1 2 221.308 1.067 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761085124 585407409 /nfs/dbraw/zinc/40/74/09/585407409.db2.gz ANNXGZLDNMPNMH-ZJUUUORDSA-N 1 2 221.308 1.067 20 0 BDADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761095049 585408443 /nfs/dbraw/zinc/40/84/43/585408443.db2.gz PWMJMUCIEAPDRU-JGVFFNPUSA-N 1 2 236.237 1.101 20 0 BDADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761095049 585408444 /nfs/dbraw/zinc/40/84/44/585408444.db2.gz PWMJMUCIEAPDRU-JGVFFNPUSA-N 1 2 236.237 1.101 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)no1 ZINC000761098386 585409269 /nfs/dbraw/zinc/40/92/69/585409269.db2.gz WJRSBLCLERUNHA-DTWKUNHWSA-N 1 2 221.260 1.016 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]32)no1 ZINC000761098386 585409270 /nfs/dbraw/zinc/40/92/70/585409270.db2.gz WJRSBLCLERUNHA-DTWKUNHWSA-N 1 2 221.260 1.016 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@]1(C)CC ZINC000761108867 585409641 /nfs/dbraw/zinc/40/96/41/585409641.db2.gz FMOAMPBXGSNTHE-AAEUAGOBSA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC[C@]1(C)CC ZINC000761108867 585409642 /nfs/dbraw/zinc/40/96/42/585409642.db2.gz FMOAMPBXGSNTHE-AAEUAGOBSA-N 1 2 243.347 1.829 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1=CCCC1 ZINC000761233733 585412833 /nfs/dbraw/zinc/41/28/33/585412833.db2.gz ISLHILQIAATQMO-UHFFFAOYSA-N 1 2 206.245 1.574 20 0 BDADLO CN(Cc1nnc(C(C)(C)C)o1)Cc1[nH]cc[nH+]1 ZINC000762316756 585430605 /nfs/dbraw/zinc/43/06/05/585430605.db2.gz PEVVREGZQPKNHJ-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO CCCc1nnnn1Cc1cc[nH+]c(N(C)C)c1 ZINC000762472944 585432536 /nfs/dbraw/zinc/43/25/36/585432536.db2.gz DAIGJPKTRYMYRZ-UHFFFAOYSA-N 1 2 246.318 1.135 20 0 BDADLO C/C=C(/C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762562474 585434178 /nfs/dbraw/zinc/43/41/78/585434178.db2.gz MWEFRWFFFJXWHG-KMKOMSMNSA-N 1 2 229.283 1.917 20 0 BDADLO CCOCC[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859225416 589022430 /nfs/dbraw/zinc/02/24/30/589022430.db2.gz INWGPXZVUQPPAC-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859225416 589022432 /nfs/dbraw/zinc/02/24/32/589022432.db2.gz INWGPXZVUQPPAC-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCS1 ZINC000763119139 585443171 /nfs/dbraw/zinc/44/31/71/585443171.db2.gz QOFXPEFRXWLYQR-VIFPVBQESA-N 1 2 226.301 1.322 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)on1 ZINC000763114892 585443233 /nfs/dbraw/zinc/44/32/33/585443233.db2.gz ZZBLHJUSWQKJDF-UHFFFAOYSA-N 1 2 221.216 1.037 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)c(C)o1 ZINC000763107859 585443268 /nfs/dbraw/zinc/44/32/68/585443268.db2.gz FMNMDEGZFBLXNX-UHFFFAOYSA-N 1 2 234.255 1.950 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccoc2)CC[S@]1=O ZINC000763495953 585449050 /nfs/dbraw/zinc/44/90/50/585449050.db2.gz YSSCNGQWJMTBDA-MEBBXXQBSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccoc2)CC[S@]1=O ZINC000763495953 585449051 /nfs/dbraw/zinc/44/90/51/585449051.db2.gz YSSCNGQWJMTBDA-MEBBXXQBSA-N 1 2 227.329 1.623 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000763626638 585451194 /nfs/dbraw/zinc/45/11/94/585451194.db2.gz COOSXBBNFIRVDM-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000763626638 585451195 /nfs/dbraw/zinc/45/11/95/585451195.db2.gz COOSXBBNFIRVDM-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO CCONC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000764077765 585459397 /nfs/dbraw/zinc/45/93/97/585459397.db2.gz TUGKUCCOGSVAOR-LBPRGKRZSA-N 1 2 236.315 1.747 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000764676784 585470784 /nfs/dbraw/zinc/47/07/84/585470784.db2.gz FKYNTOWIKKFBNU-NSHDSACASA-N 1 2 243.328 1.289 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000764676784 585470785 /nfs/dbraw/zinc/47/07/85/585470785.db2.gz FKYNTOWIKKFBNU-NSHDSACASA-N 1 2 243.328 1.289 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H](C)[C@H]2C)C1 ZINC000765100000 585481102 /nfs/dbraw/zinc/48/11/02/585481102.db2.gz OACZFTYYAZOJIM-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H](C)[C@H]2C)C1 ZINC000765100000 585481103 /nfs/dbraw/zinc/48/11/03/585481103.db2.gz OACZFTYYAZOJIM-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)C1 ZINC000765100005 585481196 /nfs/dbraw/zinc/48/11/96/585481196.db2.gz OACZFTYYAZOJIM-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H](C)[C@@H]2C)C1 ZINC000765100005 585481197 /nfs/dbraw/zinc/48/11/97/585481197.db2.gz OACZFTYYAZOJIM-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO O[C@H](C1CC[NH+](CCF)CC1)C(F)(F)F ZINC000767017706 585512525 /nfs/dbraw/zinc/51/25/25/585512525.db2.gz BSLLTLRHQXHPRQ-MRVPVSSYSA-N 1 2 229.217 1.591 20 0 BDADLO CCC[N@H+](CCC(=O)C1CC1)CC(=O)OC ZINC000767349785 585516916 /nfs/dbraw/zinc/51/69/16/585516916.db2.gz YODWGVOJXWUPPE-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO CCC[N@@H+](CCC(=O)C1CC1)CC(=O)OC ZINC000767349785 585516917 /nfs/dbraw/zinc/51/69/17/585516917.db2.gz YODWGVOJXWUPPE-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(C[N@H+](C)Cc1cc[nH]n1)OCC ZINC000767789449 585526184 /nfs/dbraw/zinc/52/61/84/585526184.db2.gz WPMAAYQTPCLWLB-UHFFFAOYSA-N 1 2 227.308 1.241 20 0 BDADLO CCOC(C[N@@H+](C)Cc1cc[nH]n1)OCC ZINC000767789449 585526185 /nfs/dbraw/zinc/52/61/85/585526185.db2.gz WPMAAYQTPCLWLB-UHFFFAOYSA-N 1 2 227.308 1.241 20 0 BDADLO Cc1cc(CO[NH+]=C(N)COC(C)C)nn1C ZINC000767827307 585526489 /nfs/dbraw/zinc/52/64/89/585526489.db2.gz FOVLPHMOZRMDFJ-UHFFFAOYSA-N 1 2 240.307 1.152 20 0 BDADLO CN(C)c1cc(CSCCC(N)=O)cc[nH+]1 ZINC000767876347 585527370 /nfs/dbraw/zinc/52/73/70/585527370.db2.gz OIBPNLHYJSUYLU-UHFFFAOYSA-N 1 2 239.344 1.256 20 0 BDADLO Cc1cc(NC(=O)NCc2ccon2)cc[nH+]1 ZINC000767889351 585527416 /nfs/dbraw/zinc/52/74/16/585527416.db2.gz ONEPMIVFQFYXCL-UHFFFAOYSA-N 1 2 232.243 1.122 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCc1ccon1 ZINC000767896981 585527974 /nfs/dbraw/zinc/52/79/74/585527974.db2.gz OKJHQGBSHLDFMG-UHFFFAOYSA-N 1 2 232.243 1.122 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000768471723 585539182 /nfs/dbraw/zinc/53/91/82/585539182.db2.gz NXMYJGRVYSQBBH-ZETCQYMHSA-N 1 2 225.267 1.131 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000768471723 585539183 /nfs/dbraw/zinc/53/91/83/585539183.db2.gz NXMYJGRVYSQBBH-ZETCQYMHSA-N 1 2 225.267 1.131 20 0 BDADLO CCOCCO[NH+]=C(N)COC(C)(C)C ZINC000768932507 585546095 /nfs/dbraw/zinc/54/60/95/585546095.db2.gz OTOULUBWKCZRTR-UHFFFAOYSA-N 1 2 218.297 1.336 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000769617825 585560612 /nfs/dbraw/zinc/56/06/12/585560612.db2.gz VEOOQEUORXVITN-GUBZILKMSA-N 1 2 219.288 1.729 20 0 BDADLO CC[C@H](NC(=O)C1=CCCCO1)c1[nH]cc[nH+]1 ZINC000769670022 585561433 /nfs/dbraw/zinc/56/14/33/585561433.db2.gz RIFDUVKADVKVCK-VIFPVBQESA-N 1 2 235.287 1.671 20 0 BDADLO CCOC(=O)C[N@H+](CCF)C(C)(C)C ZINC000770206887 585571574 /nfs/dbraw/zinc/57/15/74/585571574.db2.gz KFRILKQCINSNFA-UHFFFAOYSA-N 1 2 205.273 1.620 20 0 BDADLO CCOC(=O)C[N@@H+](CCF)C(C)(C)C ZINC000770206887 585571575 /nfs/dbraw/zinc/57/15/75/585571575.db2.gz KFRILKQCINSNFA-UHFFFAOYSA-N 1 2 205.273 1.620 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000770393358 585573752 /nfs/dbraw/zinc/57/37/52/585573752.db2.gz SPIZWPYOCWNJMS-NSHDSACASA-N 1 2 236.271 1.306 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000770393358 585573753 /nfs/dbraw/zinc/57/37/53/585573753.db2.gz SPIZWPYOCWNJMS-NSHDSACASA-N 1 2 236.271 1.306 20 0 BDADLO C[N@H+](CCc1cnccn1)Cn1cc[nH]c1=S ZINC000770660546 585579354 /nfs/dbraw/zinc/57/93/54/585579354.db2.gz DNFYZIDXMDSLQX-UHFFFAOYSA-N 1 2 249.343 1.094 20 0 BDADLO C[N@@H+](CCc1cnccn1)Cn1cc[nH]c1=S ZINC000770660546 585579355 /nfs/dbraw/zinc/57/93/55/585579355.db2.gz DNFYZIDXMDSLQX-UHFFFAOYSA-N 1 2 249.343 1.094 20 0 BDADLO CCC/C=C\C(=O)OCCn1cc[nH+]c1 ZINC000771917329 585604417 /nfs/dbraw/zinc/60/44/17/585604417.db2.gz GGAMHAGUWJMKEA-PLNGDYQASA-N 1 2 208.261 1.783 20 0 BDADLO CCc1c(C(=O)OCCn2cc[nH+]c2)cnn1C ZINC000771916695 585604426 /nfs/dbraw/zinc/60/44/26/585604426.db2.gz CUUSWEBXAYGCRK-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)OCCn1cc[nH+]c1 ZINC000771935635 585605084 /nfs/dbraw/zinc/60/50/84/585605084.db2.gz BKBCEHDTURFEPI-SNVBAGLBSA-N 1 2 238.287 1.241 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1=COCCC1 ZINC000771955766 585605488 /nfs/dbraw/zinc/60/54/88/585605488.db2.gz BZUCWFGJMVHEMZ-UHFFFAOYSA-N 1 2 222.244 1.121 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(C(F)(F)F)CC1 ZINC000771951115 585605581 /nfs/dbraw/zinc/60/55/81/585605581.db2.gz OKQGNEWULXILJU-UHFFFAOYSA-N 1 2 248.204 1.769 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc[nH]c1 ZINC000771991159 585606015 /nfs/dbraw/zinc/60/60/15/585606015.db2.gz AULHMBKCPXNWRO-UHFFFAOYSA-N 1 2 205.217 1.068 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc(O)ccc1O ZINC000771979677 585606213 /nfs/dbraw/zinc/60/62/13/585606213.db2.gz UJHRWPRRJYMJIX-UHFFFAOYSA-N 1 2 248.238 1.151 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000771994683 585606242 /nfs/dbraw/zinc/60/62/42/585606242.db2.gz POWUHRCOCHSRQB-GHMZBOCLSA-N 1 2 238.287 1.384 20 0 BDADLO CC1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000771995329 585606245 /nfs/dbraw/zinc/60/62/45/585606245.db2.gz RJULMOKHWCTFSY-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO CCC1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000771994450 585606308 /nfs/dbraw/zinc/60/63/08/585606308.db2.gz NSZAHBGBTJPZGA-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO O=C(CCOCC1CC1)OCCn1cc[nH+]c1 ZINC000771996021 585606368 /nfs/dbraw/zinc/60/63/68/585606368.db2.gz NAFJEHJVFXDXMZ-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO CC1=C(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000772012912 585607000 /nfs/dbraw/zinc/60/70/00/585607000.db2.gz JZMZFSPAUQJNFJ-UHFFFAOYSA-N 1 2 220.272 1.927 20 0 BDADLO CCc1cccnc1C(=O)OCCn1cc[nH+]c1 ZINC000772054981 585607763 /nfs/dbraw/zinc/60/77/63/585607763.db2.gz QWKRMISUDGBUHZ-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1ccc(COC(=O)[C@@H](O)C2CC2)c(C)[nH+]1 ZINC000772096007 585608479 /nfs/dbraw/zinc/60/84/79/585608479.db2.gz IENNRZRVUZWYHG-LBPRGKRZSA-N 1 2 235.283 1.513 20 0 BDADLO Cc1ccc(COC(=O)c2ncccn2)c(C)[nH+]1 ZINC000772145527 585609081 /nfs/dbraw/zinc/60/90/81/585609081.db2.gz XIGWORKKSKJTAS-UHFFFAOYSA-N 1 2 243.266 1.845 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000772504935 585616808 /nfs/dbraw/zinc/61/68/08/585616808.db2.gz PUPVGAIFXGCTBP-NEPJUHHUSA-N 1 2 241.331 1.154 20 0 BDADLO CC[C@H](C)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805473564 585627391 /nfs/dbraw/zinc/62/73/91/585627391.db2.gz HNEOSQRJOSVXOE-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@H](C)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805473564 585627392 /nfs/dbraw/zinc/62/73/92/585627392.db2.gz HNEOSQRJOSVXOE-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H](C)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805473563 585627592 /nfs/dbraw/zinc/62/75/92/585627592.db2.gz HNEOSQRJOSVXOE-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H](C)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805473563 585627593 /nfs/dbraw/zinc/62/75/93/585627593.db2.gz HNEOSQRJOSVXOE-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO Cc1cc(NC[C@@H]2COC3(CCCC3)O2)nc[nH+]1 ZINC000773239349 585634119 /nfs/dbraw/zinc/63/41/19/585634119.db2.gz ZFFNGRUYLCQNCN-LLVKDONJSA-N 1 2 249.314 1.883 20 0 BDADLO FCCN1CC[NH+](Cc2cccnc2)CC1 ZINC000773495271 585638259 /nfs/dbraw/zinc/63/82/59/585638259.db2.gz OMANRNZMBOTXEE-UHFFFAOYSA-N 1 2 223.295 1.169 20 0 BDADLO FCC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000773495271 585638260 /nfs/dbraw/zinc/63/82/60/585638260.db2.gz OMANRNZMBOTXEE-UHFFFAOYSA-N 1 2 223.295 1.169 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cn1cc[nH]c1=S ZINC000774647293 585662706 /nfs/dbraw/zinc/66/27/06/585662706.db2.gz FIASMOLSQSKQBB-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cn1cc[nH]c1=S ZINC000774647293 585662707 /nfs/dbraw/zinc/66/27/07/585662707.db2.gz FIASMOLSQSKQBB-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO CC[C@@](C)([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000775391613 585677250 /nfs/dbraw/zinc/67/72/50/585677250.db2.gz VHCGECFNNSYJSK-CYBMUJFWSA-N 1 2 246.314 1.925 20 0 BDADLO CCc1cc(C[NH2+][C@H](CC)c2nccn2C)[nH]n1 ZINC000775396844 585677564 /nfs/dbraw/zinc/67/75/64/585677564.db2.gz VMTKFOTXHMVYEI-GFCCVEGCSA-N 1 2 247.346 1.947 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1cn[nH]c1 ZINC000859251939 589024450 /nfs/dbraw/zinc/02/44/50/589024450.db2.gz KGOKGMPTJPGDDU-SSDOTTSWSA-N 1 2 239.710 1.647 20 0 BDADLO Cn1cnc2cc(C[NH2+]Cc3ccon3)ccc21 ZINC000776231892 585693658 /nfs/dbraw/zinc/69/36/58/585693658.db2.gz PVXJJVWWXBWFEV-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CCCC(=O)OC1C[NH+](CCOCC)C1 ZINC000776306827 585693836 /nfs/dbraw/zinc/69/38/36/585693836.db2.gz NXHFBBWBHMIYDP-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000776300558 585695302 /nfs/dbraw/zinc/69/53/02/585695302.db2.gz CSDVUPBSIHCWGC-SFYZADRCSA-N 1 2 212.318 1.642 20 0 BDADLO Cc1ccc(N(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC000776644693 585702825 /nfs/dbraw/zinc/70/28/25/585702825.db2.gz PCSJGMRMIKDHCO-UHFFFAOYSA-N 1 2 243.310 1.934 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2Cn2cnnc2)on1 ZINC000776757710 585704219 /nfs/dbraw/zinc/70/42/19/585704219.db2.gz WTPTXPACXWKVTQ-SNVBAGLBSA-N 1 2 233.275 1.369 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2Cn2cnnc2)on1 ZINC000776757710 585704220 /nfs/dbraw/zinc/70/42/20/585704220.db2.gz WTPTXPACXWKVTQ-SNVBAGLBSA-N 1 2 233.275 1.369 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cn1cnnc1 ZINC000776759705 585704523 /nfs/dbraw/zinc/70/45/23/585704523.db2.gz VKTRKDZSLSUDIA-UHFFFAOYSA-N 1 2 223.305 1.133 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cn1cnnc1 ZINC000776759705 585704524 /nfs/dbraw/zinc/70/45/24/585704524.db2.gz VKTRKDZSLSUDIA-UHFFFAOYSA-N 1 2 223.305 1.133 20 0 BDADLO C[C@H]1CC[N@H+](CN2C(=O)CC23CCC3)C[C@H]1F ZINC000777965128 585724766 /nfs/dbraw/zinc/72/47/66/585724766.db2.gz UVDAXRXPJPVFGA-WDEREUQCSA-N 1 2 240.322 1.779 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C(=O)CC23CCC3)C[C@H]1F ZINC000777965128 585724767 /nfs/dbraw/zinc/72/47/67/585724767.db2.gz UVDAXRXPJPVFGA-WDEREUQCSA-N 1 2 240.322 1.779 20 0 BDADLO O=C1OC2(CCCC2)CN1C[N@H+]1CC=CCC1 ZINC000778577578 585737725 /nfs/dbraw/zinc/73/77/25/585737725.db2.gz SCHZVKVYSNRXRL-UHFFFAOYSA-N 1 2 236.315 1.971 20 0 BDADLO O=C1OC2(CCCC2)CN1C[N@@H+]1CC=CCC1 ZINC000778577578 585737726 /nfs/dbraw/zinc/73/77/26/585737726.db2.gz SCHZVKVYSNRXRL-UHFFFAOYSA-N 1 2 236.315 1.971 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805616122 585740704 /nfs/dbraw/zinc/74/07/04/585740704.db2.gz QSAJJFDZERENNS-JTQLQIEISA-N 1 2 241.331 1.772 20 0 BDADLO O=C(c1ccncn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000779051840 585744592 /nfs/dbraw/zinc/74/45/92/585744592.db2.gz WRUPCSZKAOBTFL-SNVBAGLBSA-N 1 2 243.270 1.177 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1=COCCC1 ZINC000779095176 585745182 /nfs/dbraw/zinc/74/51/82/585745182.db2.gz HJEFUNZIFRYKGO-LLVKDONJSA-N 1 2 247.298 1.008 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779216146 585747397 /nfs/dbraw/zinc/74/73/97/585747397.db2.gz AKKYJBJZEOVFBT-LLVKDONJSA-N 1 2 233.315 1.670 20 0 BDADLO CCn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000779614146 585757166 /nfs/dbraw/zinc/75/71/66/585757166.db2.gz RVIVEXQIBLAFCM-NSHDSACASA-N 1 2 223.320 1.523 20 0 BDADLO CCn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000779614146 585757167 /nfs/dbraw/zinc/75/71/67/585757167.db2.gz RVIVEXQIBLAFCM-NSHDSACASA-N 1 2 223.320 1.523 20 0 BDADLO NC(CCO)=[NH+]OCc1ncc(Cl)s1 ZINC000780127785 585772743 /nfs/dbraw/zinc/77/27/43/585772743.db2.gz PVMGIBCIOOFKOI-UHFFFAOYSA-N 1 2 235.696 1.177 20 0 BDADLO NC(CCO)=[NH+]OCc1ccnc(Cl)c1 ZINC000780127770 585772852 /nfs/dbraw/zinc/77/28/52/585772852.db2.gz OHLLKRPGJVQODB-UHFFFAOYSA-N 1 2 229.667 1.116 20 0 BDADLO Cc1cnc(C(=O)NCCc2[nH]cc[nH+]2)c(C)c1 ZINC000780499658 585779594 /nfs/dbraw/zinc/77/95/94/585779594.db2.gz KSZJKSYOPZBJOT-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO CC(C)(C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000805702741 585802882 /nfs/dbraw/zinc/80/28/82/585802882.db2.gz BJEMSUCEIJJCPR-UHFFFAOYSA-N 1 2 222.288 1.863 20 0 BDADLO Cc1nc(N2C[C@H]3C[C@@]3(CO)C2)c(C)c(C)[nH+]1 ZINC000782404432 585817518 /nfs/dbraw/zinc/81/75/18/585817518.db2.gz UMWBETDHBVEBNU-YPMHNXCESA-N 1 2 233.315 1.220 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1=CCCCC1 ZINC000782457785 585818500 /nfs/dbraw/zinc/81/85/00/585818500.db2.gz LYIQMFOVYPAFHU-UHFFFAOYSA-N 1 2 220.272 1.927 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000782538189 585819940 /nfs/dbraw/zinc/81/99/40/585819940.db2.gz BZXRETRFLFHHOC-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000782538189 585819941 /nfs/dbraw/zinc/81/99/41/585819941.db2.gz BZXRETRFLFHHOC-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO COCCC[N@H+](CCO)C/C(Cl)=C\Cl ZINC000782576152 585820243 /nfs/dbraw/zinc/82/02/43/585820243.db2.gz GWPXAAVVCHTBHS-VQHVLOKHSA-N 1 2 242.146 1.636 20 0 BDADLO COCCC[N@@H+](CCO)C/C(Cl)=C\Cl ZINC000782576152 585820244 /nfs/dbraw/zinc/82/02/44/585820244.db2.gz GWPXAAVVCHTBHS-VQHVLOKHSA-N 1 2 242.146 1.636 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000783048580 585827274 /nfs/dbraw/zinc/82/72/74/585827274.db2.gz XCQXFLICPDLNRS-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cnn(CC(=O)OCCCn2cc[nH+]c2)c1 ZINC000783094456 585827888 /nfs/dbraw/zinc/82/78/88/585827888.db2.gz HRCFNXRMOUHOAT-UHFFFAOYSA-N 1 2 248.286 1.022 20 0 BDADLO CCOCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783155967 585828751 /nfs/dbraw/zinc/82/87/51/585828751.db2.gz JCLGVHQKOGIGQS-UHFFFAOYSA-N 1 2 240.278 1.903 20 0 BDADLO COC1CC(C[N@@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC000859268598 589025964 /nfs/dbraw/zinc/02/59/64/589025964.db2.gz CDHLZGVONMIQHF-HWOCKDDLSA-N 1 2 235.274 1.113 20 0 BDADLO COC1CC(C[N@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC000859268598 589025966 /nfs/dbraw/zinc/02/59/66/589025966.db2.gz CDHLZGVONMIQHF-HWOCKDDLSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)[C@H](C)[C@@H](C)O1 ZINC000783540891 585836432 /nfs/dbraw/zinc/83/64/32/585836432.db2.gz PYAKRUVBAJUKNA-GMTAPVOTSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)[C@H](C)[C@@H](C)O1 ZINC000783540891 585836433 /nfs/dbraw/zinc/83/64/33/585836433.db2.gz PYAKRUVBAJUKNA-GMTAPVOTSA-N 1 2 226.320 1.064 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cccc(F)n1 ZINC000783578956 585837595 /nfs/dbraw/zinc/83/75/95/585837595.db2.gz YUMHPXSKZQKPSM-UHFFFAOYSA-N 1 2 245.257 1.852 20 0 BDADLO COCC[C@@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000783610441 585838468 /nfs/dbraw/zinc/83/84/68/585838468.db2.gz MPRMZSBANHBGPO-SNVBAGLBSA-N 1 2 248.282 1.916 20 0 BDADLO Cc1ocnc1C(=O)OCCCn1cc[nH+]c1 ZINC000783655430 585839624 /nfs/dbraw/zinc/83/96/24/585839624.db2.gz RPEZNBMJEWICOO-UHFFFAOYSA-N 1 2 235.243 1.427 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccoc1 ZINC000783728294 585840979 /nfs/dbraw/zinc/84/09/79/585840979.db2.gz KWAHDQACFPQSAG-GFCCVEGCSA-N 1 2 236.315 1.626 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccoc1 ZINC000783728294 585840980 /nfs/dbraw/zinc/84/09/80/585840980.db2.gz KWAHDQACFPQSAG-GFCCVEGCSA-N 1 2 236.315 1.626 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(C)o1 ZINC000783735032 585841090 /nfs/dbraw/zinc/84/10/90/585841090.db2.gz YESOTKGMPHJHBH-VIFPVBQESA-N 1 2 236.315 1.559 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(C)o1 ZINC000783735032 585841091 /nfs/dbraw/zinc/84/10/91/585841091.db2.gz YESOTKGMPHJHBH-VIFPVBQESA-N 1 2 236.315 1.559 20 0 BDADLO COc1ccccc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783732144 585841299 /nfs/dbraw/zinc/84/12/99/585841299.db2.gz BNRXSJRBIWBXPX-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccccc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783732144 585841300 /nfs/dbraw/zinc/84/13/00/585841300.db2.gz BNRXSJRBIWBXPX-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO Cc1nc(C)c(C(=O)OCCCn2cc[nH+]c2)o1 ZINC000783982644 585846598 /nfs/dbraw/zinc/84/65/98/585846598.db2.gz WLWLLRUFSHVMGK-UHFFFAOYSA-N 1 2 249.270 1.735 20 0 BDADLO CC(C)c1nnc2n1CC[N@@H+](CCF)[C@H]2C ZINC000784377925 585857497 /nfs/dbraw/zinc/85/74/97/585857497.db2.gz CTHXFAPRJCSMPY-VIFPVBQESA-N 1 2 226.299 1.748 20 0 BDADLO CC(C)c1nnc2n1CC[N@H+](CCF)[C@H]2C ZINC000784377925 585857498 /nfs/dbraw/zinc/85/74/98/585857498.db2.gz CTHXFAPRJCSMPY-VIFPVBQESA-N 1 2 226.299 1.748 20 0 BDADLO CCn1nccc1C(=O)OCCCn1cc[nH+]c1 ZINC000784802442 585866369 /nfs/dbraw/zinc/86/63/69/585866369.db2.gz VVNOOLWWTGQRCV-UHFFFAOYSA-N 1 2 248.286 1.347 20 0 BDADLO CC/C=C(/C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784922436 585868610 /nfs/dbraw/zinc/86/86/10/585868610.db2.gz SSDOKXFGXSJNKJ-QJGQKNTRSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@H](NC(=O)[C@H](O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785420760 585873448 /nfs/dbraw/zinc/87/34/48/585873448.db2.gz CAMRURMQBUDHOJ-IUCAKERBSA-N 1 2 239.319 1.384 20 0 BDADLO Cc1cncc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000785489080 585874557 /nfs/dbraw/zinc/87/45/57/585874557.db2.gz XFLXQHSOQKCZNZ-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cncc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000785489080 585874558 /nfs/dbraw/zinc/87/45/58/585874558.db2.gz XFLXQHSOQKCZNZ-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCC1(O)CC1 ZINC000785518959 585875176 /nfs/dbraw/zinc/87/51/76/585875176.db2.gz ZCOAUBLIEFPPSR-UHFFFAOYSA-N 1 2 230.308 1.215 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCF ZINC000786441379 585891484 /nfs/dbraw/zinc/89/14/84/585891484.db2.gz OWAIUDWYICQMNS-AEJSXWLSSA-N 1 2 215.268 1.229 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCF ZINC000786441379 585891485 /nfs/dbraw/zinc/89/14/85/585891485.db2.gz OWAIUDWYICQMNS-AEJSXWLSSA-N 1 2 215.268 1.229 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCF ZINC000786441380 585891642 /nfs/dbraw/zinc/89/16/42/585891642.db2.gz OWAIUDWYICQMNS-BBBLOLIVSA-N 1 2 215.268 1.229 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCF ZINC000786441380 585891643 /nfs/dbraw/zinc/89/16/43/585891643.db2.gz OWAIUDWYICQMNS-BBBLOLIVSA-N 1 2 215.268 1.229 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000787166395 585902237 /nfs/dbraw/zinc/90/22/37/585902237.db2.gz ZRQZSZVPRQLRJH-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000787166395 585902238 /nfs/dbraw/zinc/90/22/38/585902238.db2.gz ZRQZSZVPRQLRJH-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO O[C@H]1C[N@H+](CCc2cccs2)CC(F)(F)C1 ZINC000787369798 585907934 /nfs/dbraw/zinc/90/79/34/585907934.db2.gz RKKVWFHEMZZXNQ-SECBINFHSA-N 1 2 247.310 1.993 20 0 BDADLO O[C@H]1C[N@@H+](CCc2cccs2)CC(F)(F)C1 ZINC000787369798 585907935 /nfs/dbraw/zinc/90/79/35/585907935.db2.gz RKKVWFHEMZZXNQ-SECBINFHSA-N 1 2 247.310 1.993 20 0 BDADLO COCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787684921 585914060 /nfs/dbraw/zinc/91/40/60/585914060.db2.gz BXEJDMJAJOHXOP-UHFFFAOYSA-N 1 2 241.718 1.490 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OC[C@@H]1CCCO1 ZINC000787904596 585917335 /nfs/dbraw/zinc/91/73/35/585917335.db2.gz DYEYLDNBXADMEJ-LBPRGKRZSA-N 1 2 234.299 1.907 20 0 BDADLO c1cc(-c2ccc(C[NH2+]Cc3ccon3)o2)n[nH]1 ZINC000788520238 585926362 /nfs/dbraw/zinc/92/63/62/585926362.db2.gz HPMHGQXUZOMIQE-UHFFFAOYSA-N 1 2 244.254 1.948 20 0 BDADLO O=C1Cc2cc(-c3cn4c([nH+]3)CCC4)ccc2N1 ZINC000788867265 585931588 /nfs/dbraw/zinc/93/15/88/585931588.db2.gz NUWHWKWWKWEZDY-UHFFFAOYSA-N 1 2 239.278 1.991 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cccnc1F ZINC000789002655 585933037 /nfs/dbraw/zinc/93/30/37/585933037.db2.gz TVJHBNKZXXIDAW-UHFFFAOYSA-N 1 2 235.218 1.274 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)NC1(C)CC1 ZINC000789187245 585936421 /nfs/dbraw/zinc/93/64/21/585936421.db2.gz CXOXGRRTYCXZCY-VIFPVBQESA-N 1 2 238.360 1.288 20 0 BDADLO CCOC1CC(C(=O)OCc2c[nH+]cn2C)C1 ZINC000805889253 585941288 /nfs/dbraw/zinc/94/12/88/585941288.db2.gz AWZCNBJICDPTBM-UHFFFAOYSA-N 1 2 238.287 1.278 20 0 BDADLO C/C=C(\CC)C(=O)OCc1c[nH+]cn1C ZINC000789390377 585942063 /nfs/dbraw/zinc/94/20/63/585942063.db2.gz WHXFXNXUMVOXKJ-RUDMXATFSA-N 1 2 208.261 1.820 20 0 BDADLO NC(=[NH+]OC[C@H]1CCCOC1)[C@H]1CCCO1 ZINC000789614237 585946918 /nfs/dbraw/zinc/94/69/18/585946918.db2.gz YWJVITWRBNYTGB-VHSXEESVSA-N 1 2 228.292 1.090 20 0 BDADLO C/C=C(\CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000789759536 585949512 /nfs/dbraw/zinc/94/95/12/585949512.db2.gz MRGLAKPWGUPSAN-YCRREMRBSA-N 1 2 207.277 1.425 20 0 BDADLO CCC(CC)C(=O)OCCc1c[nH+]cn1C ZINC000789776763 585949749 /nfs/dbraw/zinc/94/97/49/585949749.db2.gz NFJYCVNATXCZSQ-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO COCCCC(=O)OCCCc1[nH+]ccn1C ZINC000789790802 585949953 /nfs/dbraw/zinc/94/99/53/585949953.db2.gz BUWSARHPDHQTSY-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000789820030 585951137 /nfs/dbraw/zinc/95/11/37/585951137.db2.gz YHTIUKSMGIEQPL-KSXVILFYSA-N 1 2 233.315 1.740 20 0 BDADLO CC=C(CC)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000789820030 585951138 /nfs/dbraw/zinc/95/11/38/585951138.db2.gz YHTIUKSMGIEQPL-KSXVILFYSA-N 1 2 233.315 1.740 20 0 BDADLO NC(=[NH+]OCc1ncccn1)c1ccccc1 ZINC000790486315 585965605 /nfs/dbraw/zinc/96/56/05/585965605.db2.gz IGJGLGPJFLZAGD-UHFFFAOYSA-N 1 2 228.255 1.523 20 0 BDADLO Nc1cc(COC(=O)C[C@H]2CCCO2)cc[nH+]1 ZINC000791728323 585986958 /nfs/dbraw/zinc/98/69/58/585986958.db2.gz GVJVMRBBRFTZJH-SNVBAGLBSA-N 1 2 236.271 1.276 20 0 BDADLO Cc1[nH]nc(C(=O)OCc2cc[nH+]c(N)c2)c1C ZINC000791911072 585991201 /nfs/dbraw/zinc/99/12/01/585991201.db2.gz IBCPVNOABXMARP-UHFFFAOYSA-N 1 2 246.270 1.361 20 0 BDADLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)nc1 ZINC000792064974 585995163 /nfs/dbraw/zinc/99/51/63/585995163.db2.gz ZPSRAIZWSGAIAP-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1cccs1 ZINC000810756266 585995288 /nfs/dbraw/zinc/99/52/88/585995288.db2.gz AKFRJVDSOYHHIK-PLNGDYQASA-N 1 2 247.323 1.811 20 0 BDADLO Cc1nscc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792122256 585996241 /nfs/dbraw/zinc/99/62/41/585996241.db2.gz WGVXQJONPGVYSO-UHFFFAOYSA-N 1 2 249.295 1.786 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792149406 585996694 /nfs/dbraw/zinc/99/66/94/585996694.db2.gz HJGSHYVFFHPEMK-WDEREUQCSA-N 1 2 234.299 1.999 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792220290 585998186 /nfs/dbraw/zinc/99/81/86/585998186.db2.gz BGWOJCPNWCSDNZ-LLVKDONJSA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792220290 585998187 /nfs/dbraw/zinc/99/81/87/585998187.db2.gz BGWOJCPNWCSDNZ-LLVKDONJSA-N 1 2 249.314 1.327 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1C/C(Cl)=C/Cl ZINC000792372600 586000243 /nfs/dbraw/zinc/00/02/43/586000243.db2.gz XNHXGAOSGHERNL-UDGZVJEDSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1C/C(Cl)=C/Cl ZINC000792372600 586000244 /nfs/dbraw/zinc/00/02/44/586000244.db2.gz XNHXGAOSGHERNL-UDGZVJEDSA-N 1 2 247.129 1.974 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](CC2(F)CC2)C1 ZINC000792845031 586005830 /nfs/dbraw/zinc/00/58/30/586005830.db2.gz ZUQFHYNZMFUUOB-SNVBAGLBSA-N 1 2 219.231 1.076 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](CC2(F)CC2)C1 ZINC000792845031 586005831 /nfs/dbraw/zinc/00/58/31/586005831.db2.gz ZUQFHYNZMFUUOB-SNVBAGLBSA-N 1 2 219.231 1.076 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](CC2(F)CC2)C1 ZINC000792845030 586005942 /nfs/dbraw/zinc/00/59/42/586005942.db2.gz ZUQFHYNZMFUUOB-JTQLQIEISA-N 1 2 219.231 1.076 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](CC2(F)CC2)C1 ZINC000792845030 586005943 /nfs/dbraw/zinc/00/59/43/586005943.db2.gz ZUQFHYNZMFUUOB-JTQLQIEISA-N 1 2 219.231 1.076 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)COC(C)(C)C ZINC000793249943 586014180 /nfs/dbraw/zinc/01/41/80/586014180.db2.gz KORKSTADQYBYFB-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)on1 ZINC000793250340 586014953 /nfs/dbraw/zinc/01/49/53/586014953.db2.gz LYLFPOHKTMAAKN-UHFFFAOYSA-N 1 2 235.243 1.116 20 0 BDADLO Cc1cncc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000793249856 586014986 /nfs/dbraw/zinc/01/49/86/586014986.db2.gz ILEWUNXVFQXNHL-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO COC[C@@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000793251072 586015036 /nfs/dbraw/zinc/01/50/36/586015036.db2.gz NQXULZPULSQMKN-JTQLQIEISA-N 1 2 240.303 1.178 20 0 BDADLO COC(C)(C)CC(=O)OCCc1c[nH+]cn1C ZINC000793250801 586015131 /nfs/dbraw/zinc/01/51/31/586015131.db2.gz LRXNNHMBQJQXNM-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO CC/C(C)=C(\C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000793491086 586020787 /nfs/dbraw/zinc/02/07/87/586020787.db2.gz OXLPODPPADXGIP-ZHACJKMWSA-N 1 2 233.315 1.972 20 0 BDADLO CC[C@H]1CC[N@@H+]1CN1C[C@@H](C(F)F)CC1=O ZINC000793808492 586026822 /nfs/dbraw/zinc/02/68/22/586026822.db2.gz HBKWZBZJLDVVQR-IUCAKERBSA-N 1 2 232.274 1.542 20 0 BDADLO CC[C@H]1CC[N@H+]1CN1C[C@@H](C(F)F)CC1=O ZINC000793808492 586026823 /nfs/dbraw/zinc/02/68/23/586026823.db2.gz HBKWZBZJLDVVQR-IUCAKERBSA-N 1 2 232.274 1.542 20 0 BDADLO FC1(F)CC[NH+](CN2CCOC2=S)CC1 ZINC000794685434 586046615 /nfs/dbraw/zinc/04/66/15/586046615.db2.gz HPHKGZSQRZKGNI-UHFFFAOYSA-N 1 2 236.287 1.292 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1F)c1cnccn1 ZINC000794832037 586049583 /nfs/dbraw/zinc/04/95/83/586049583.db2.gz BSQAYFGKOXYLNS-VIFPVBQESA-N 1 2 232.262 1.862 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000794949782 586057456 /nfs/dbraw/zinc/05/74/56/586057456.db2.gz SMDZVGPGIIFGEB-PWSUYJOCSA-N 1 2 221.304 1.119 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000794949782 586057458 /nfs/dbraw/zinc/05/74/58/586057458.db2.gz SMDZVGPGIIFGEB-PWSUYJOCSA-N 1 2 221.304 1.119 20 0 BDADLO NC(=[NH+]OCCCCF)[C@H]1CCCO1 ZINC000795229554 586072721 /nfs/dbraw/zinc/07/27/21/586072721.db2.gz KPEOFKSYHFHJCG-MRVPVSSYSA-N 1 2 204.245 1.414 20 0 BDADLO C[N@H+](Cc1ccncc1)[C@H]1CC(C)(C)OC1=O ZINC000795684886 586090409 /nfs/dbraw/zinc/09/04/09/586090409.db2.gz BNSNNPFAKJTYHV-NSHDSACASA-N 1 2 234.299 1.608 20 0 BDADLO C[N@@H+](Cc1ccncc1)[C@H]1CC(C)(C)OC1=O ZINC000795684886 586090410 /nfs/dbraw/zinc/09/04/10/586090410.db2.gz BNSNNPFAKJTYHV-NSHDSACASA-N 1 2 234.299 1.608 20 0 BDADLO C[N@H+](CCOCC1CC1)[C@H]1CC(C)(C)OC1=O ZINC000795711909 586091320 /nfs/dbraw/zinc/09/13/20/586091320.db2.gz XLWNNLQQSJQAQW-NSHDSACASA-N 1 2 241.331 1.439 20 0 BDADLO C[N@@H+](CCOCC1CC1)[C@H]1CC(C)(C)OC1=O ZINC000795711909 586091321 /nfs/dbraw/zinc/09/13/21/586091321.db2.gz XLWNNLQQSJQAQW-NSHDSACASA-N 1 2 241.331 1.439 20 0 BDADLO O=C(C[C@@H]1CCCOC1)OCCn1cc[nH+]c1 ZINC000795910861 586094284 /nfs/dbraw/zinc/09/42/84/586094284.db2.gz NCYJTCRBCGBMSS-NSHDSACASA-N 1 2 238.287 1.243 20 0 BDADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCF)C1 ZINC000796298378 586099975 /nfs/dbraw/zinc/09/99/75/586099975.db2.gz LFFFEVHXZUNSHP-MRVPVSSYSA-N 1 2 243.200 1.383 20 0 BDADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCF)C1 ZINC000796298378 586099976 /nfs/dbraw/zinc/09/99/76/586099976.db2.gz LFFFEVHXZUNSHP-MRVPVSSYSA-N 1 2 243.200 1.383 20 0 BDADLO CC[C@](C)(OC)C(=O)OCCn1cc[nH+]c1 ZINC000796395384 586102627 /nfs/dbraw/zinc/10/26/27/586102627.db2.gz CWMHJIWJAMAYDO-NSHDSACASA-N 1 2 226.276 1.241 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1c[nH]cn1 ZINC000796449892 586103301 /nfs/dbraw/zinc/10/33/01/586103301.db2.gz MVDOIAIVVQQECU-ZDUSSCGKSA-N 1 2 231.299 1.541 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@]1(CCC)CCOC1 ZINC000796440348 586103315 /nfs/dbraw/zinc/10/33/15/586103315.db2.gz FHZBLAORQALGNI-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@]1(CCC)CCOC1 ZINC000796440347 586103557 /nfs/dbraw/zinc/10/35/57/586103557.db2.gz FHZBLAORQALGNI-WCQYABFASA-N 1 2 243.347 1.877 20 0 BDADLO CC[C@H](C)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796549066 586107000 /nfs/dbraw/zinc/10/70/00/586107000.db2.gz GQSFXYBOFAUPIY-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000796608488 586108386 /nfs/dbraw/zinc/10/83/86/586108386.db2.gz AKVOVFGINVMEIC-BQBZGAKWSA-N 1 2 240.130 1.674 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000796608488 586108387 /nfs/dbraw/zinc/10/83/87/586108387.db2.gz AKVOVFGINVMEIC-BQBZGAKWSA-N 1 2 240.130 1.674 20 0 BDADLO COC(C[N@@H+]1CCC[C@@H]1c1nc(C)no1)OC ZINC000796690988 586110337 /nfs/dbraw/zinc/11/03/37/586110337.db2.gz CHLZSLLSEMBSMM-SECBINFHSA-N 1 2 241.291 1.134 20 0 BDADLO COC(C[N@H+]1CCC[C@@H]1c1nc(C)no1)OC ZINC000796690988 586110338 /nfs/dbraw/zinc/11/03/38/586110338.db2.gz CHLZSLLSEMBSMM-SECBINFHSA-N 1 2 241.291 1.134 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000796745751 586111391 /nfs/dbraw/zinc/11/13/91/586111391.db2.gz RDXCULGOVKRQMZ-MWLCHTKSSA-N 1 2 240.303 1.524 20 0 BDADLO C[C@@H](N[C@@H](C)c1[nH]cc[nH+]1)c1nnnn1C1CC1 ZINC000796964723 586118066 /nfs/dbraw/zinc/11/80/66/586118066.db2.gz JQMIVOWWJRTSAM-JGVFFNPUSA-N 1 2 247.306 1.143 20 0 BDADLO O=C(OCc1c[nH+]cn1CC(F)(F)F)C1CC1 ZINC000797122315 586120532 /nfs/dbraw/zinc/12/05/32/586120532.db2.gz SLZJTWGLGQWLKV-UHFFFAOYSA-N 1 2 248.204 1.899 20 0 BDADLO Cc1c(C(=O)OCCn2cc[nH+]c2)ccn1C ZINC000798728483 586149277 /nfs/dbraw/zinc/14/92/77/586149277.db2.gz IPJHPPHMHLDZAR-UHFFFAOYSA-N 1 2 233.271 1.387 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000799373029 586174436 /nfs/dbraw/zinc/17/44/36/586174436.db2.gz ZEERKGSYUQAPNJ-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ccnc(F)c1 ZINC000859342515 589032307 /nfs/dbraw/zinc/03/23/07/589032307.db2.gz JPERYSZNLXDOLX-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO Cn1c[nH+]c(C=Cc2n[nH]cc2C=O)c1 ZINC000800793144 586229137 /nfs/dbraw/zinc/22/91/37/586229137.db2.gz HUPBKWQDFBQMGZ-NSCUHMNNSA-N 1 2 202.217 1.126 20 0 BDADLO CC(C)COCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801561407 586262806 /nfs/dbraw/zinc/26/28/06/586262806.db2.gz VTPVYMLHZNTOIT-JTQLQIEISA-N 1 2 237.290 1.625 20 0 BDADLO CC(C)COCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801561407 586262807 /nfs/dbraw/zinc/26/28/07/586262807.db2.gz VTPVYMLHZNTOIT-JTQLQIEISA-N 1 2 237.290 1.625 20 0 BDADLO Cc1nc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)co1 ZINC000801640003 586267282 /nfs/dbraw/zinc/26/72/82/586267282.db2.gz CRSLSEMLXWAVHW-JTQLQIEISA-N 1 2 246.270 1.683 20 0 BDADLO O=C(C[C@H]1C=CCC1)OCCn1cc[nH+]c1 ZINC000802228175 586296684 /nfs/dbraw/zinc/29/66/84/586296684.db2.gz KSFPUBSGFVVYFU-NSHDSACASA-N 1 2 220.272 1.783 20 0 BDADLO O=C(CCc1ccncc1)OCCn1cc[nH+]c1 ZINC000802227865 586296775 /nfs/dbraw/zinc/29/67/75/586296775.db2.gz CZSVUNGAKNTTII-UHFFFAOYSA-N 1 2 245.282 1.454 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802236538 586297506 /nfs/dbraw/zinc/29/75/06/586297506.db2.gz LYMDJAHQOYOILJ-GUBZILKMSA-N 1 2 215.268 1.229 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802236538 586297509 /nfs/dbraw/zinc/29/75/09/586297509.db2.gz LYMDJAHQOYOILJ-GUBZILKMSA-N 1 2 215.268 1.229 20 0 BDADLO CC(C)[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802231245 586297627 /nfs/dbraw/zinc/29/76/27/586297627.db2.gz AOKOYEUPKPMOPB-QWRGUYRKSA-N 1 2 231.311 1.866 20 0 BDADLO CC(C)[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802231245 586297629 /nfs/dbraw/zinc/29/76/29/586297629.db2.gz AOKOYEUPKPMOPB-QWRGUYRKSA-N 1 2 231.311 1.866 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CC12CCC2 ZINC000802236027 586297661 /nfs/dbraw/zinc/29/76/61/586297661.db2.gz FEYRYYVANYZTBB-QWRGUYRKSA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CC12CCC2 ZINC000802236027 586297662 /nfs/dbraw/zinc/29/76/62/586297662.db2.gz FEYRYYVANYZTBB-QWRGUYRKSA-N 1 2 241.306 1.764 20 0 BDADLO CC(C)SCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802238400 586298675 /nfs/dbraw/zinc/29/86/75/586298675.db2.gz HWASMUGGGPICNQ-SNVBAGLBSA-N 1 2 249.351 1.715 20 0 BDADLO CC(C)SCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802238400 586298676 /nfs/dbraw/zinc/29/86/76/586298676.db2.gz HWASMUGGGPICNQ-SNVBAGLBSA-N 1 2 249.351 1.715 20 0 BDADLO C[C@H]1C(=O)N(C[NH+]2CCSCC2)C[C@H]1C ZINC000839965533 586304411 /nfs/dbraw/zinc/30/44/11/586304411.db2.gz MJOLNEKDOGUFRN-NXEZZACHSA-N 1 2 228.361 1.107 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000839974931 586308541 /nfs/dbraw/zinc/30/85/41/586308541.db2.gz UWFRBBORMJBIKJ-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000839974931 586308542 /nfs/dbraw/zinc/30/85/42/586308542.db2.gz UWFRBBORMJBIKJ-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO Oc1cccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000802654577 586308767 /nfs/dbraw/zinc/30/87/67/586308767.db2.gz KHTFGNZRXCKVMP-LLVKDONJSA-N 1 2 243.253 1.858 20 0 BDADLO Oc1cccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000802654577 586308770 /nfs/dbraw/zinc/30/87/70/586308770.db2.gz KHTFGNZRXCKVMP-LLVKDONJSA-N 1 2 243.253 1.858 20 0 BDADLO C[C@H]1CCN(C[NH+]2Cc3ccccc3C2)C1=O ZINC000839990587 586332501 /nfs/dbraw/zinc/33/25/01/586332501.db2.gz IFLUKFJDUKYWMN-NSHDSACASA-N 1 2 230.311 1.828 20 0 BDADLO CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)C1CC1)[NH+](C)C ZINC000803496554 586361383 /nfs/dbraw/zinc/36/13/83/586361383.db2.gz GBKNXBBPAZNYSQ-ONGXEEELSA-N 1 2 241.331 1.483 20 0 BDADLO CC[C@H](C)CCC(=O)OCC[NH+]1CCOCC1 ZINC000803879594 586378790 /nfs/dbraw/zinc/37/87/90/586378790.db2.gz OPYPHXCKOPYXPE-LBPRGKRZSA-N 1 2 243.347 1.688 20 0 BDADLO CCC[C@@H]1C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840036693 586387023 /nfs/dbraw/zinc/38/70/23/586387023.db2.gz FERXDKMYGHDUDU-NWDGAFQWSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@@H]1C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840036693 586387025 /nfs/dbraw/zinc/38/70/25/586387025.db2.gz FERXDKMYGHDUDU-NWDGAFQWSA-N 1 2 240.347 1.313 20 0 BDADLO C/C=C/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335393 586390939 /nfs/dbraw/zinc/39/09/39/586390939.db2.gz YFQJIUVWXXWZCY-OIHBSNPPSA-N 1 2 231.299 1.446 20 0 BDADLO O=C(/C=C/C1CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804334069 586391140 /nfs/dbraw/zinc/39/11/40/586391140.db2.gz XQPRCRNMCYLRQQ-ZXCPCRMDSA-N 1 2 231.299 1.280 20 0 BDADLO C/C=C(/C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337329 586392102 /nfs/dbraw/zinc/39/21/02/586392102.db2.gz YGOPQTSMEVMOGA-BNFOFFDWSA-N 1 2 219.288 1.280 20 0 BDADLO CCCCOC(=O)C[NH+](C1CC1)C1CC1 ZINC000859623145 589049579 /nfs/dbraw/zinc/04/95/79/589049579.db2.gz SJQKFMFXFOXTNS-UHFFFAOYSA-N 1 2 211.305 1.957 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CC[C@H](C)[C@H](F)C2)C1=O ZINC000840042371 586394960 /nfs/dbraw/zinc/39/49/60/586394960.db2.gz OQJYACJUBOGWCU-HBNTYKKESA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CC[C@H](C)[C@H](F)C2)C1=O ZINC000840042371 586394963 /nfs/dbraw/zinc/39/49/63/586394963.db2.gz OQJYACJUBOGWCU-HBNTYKKESA-N 1 2 228.311 1.492 20 0 BDADLO CCOC(=O)CC1=C(C)N2CC[NH+]=C2S1 ZINC000804602334 586401905 /nfs/dbraw/zinc/40/19/05/586401905.db2.gz DDTGNYRMRUDZOU-UHFFFAOYSA-N 1 2 226.301 1.590 20 0 BDADLO C[C@H]1CN(C[NH+]2CCC(F)(F)CC2)C(=O)[C@@H]1C ZINC000840060216 586411253 /nfs/dbraw/zinc/41/12/53/586411253.db2.gz LWXYPPLNUKNIKD-VHSXEESVSA-N 1 2 246.301 1.789 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1ccc(F)cn1 ZINC000806815153 586419089 /nfs/dbraw/zinc/41/90/89/586419089.db2.gz LYRNRUXANKVDQX-UHFFFAOYSA-N 1 2 245.257 1.527 20 0 BDADLO COC[C@H]1CC[N@H+]1Cn1ncc(Cl)c1C ZINC000840082444 586422808 /nfs/dbraw/zinc/42/28/08/586422808.db2.gz CHRSUVPYLKFPLA-SECBINFHSA-N 1 2 229.711 1.523 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cn1ncc(Cl)c1C ZINC000840082444 586422807 /nfs/dbraw/zinc/42/28/07/586422807.db2.gz CHRSUVPYLKFPLA-SECBINFHSA-N 1 2 229.711 1.523 20 0 BDADLO CC[NH2+]Cc1noc(CCOCC(C)C)n1 ZINC000843145042 586436838 /nfs/dbraw/zinc/43/68/38/586436838.db2.gz BPGSURWLFWITMR-UHFFFAOYSA-N 1 2 227.308 1.394 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2CCOC2=S)C1 ZINC000840100589 586445669 /nfs/dbraw/zinc/44/56/69/586445669.db2.gz NRJUDKNAEVESAT-SNVBAGLBSA-N 1 2 232.324 1.385 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2CCOC2=S)C1 ZINC000840100589 586445670 /nfs/dbraw/zinc/44/56/70/586445670.db2.gz NRJUDKNAEVESAT-SNVBAGLBSA-N 1 2 232.324 1.385 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@H](F)C2)C(=O)[C@H]1C ZINC000840114684 586448623 /nfs/dbraw/zinc/44/86/23/586448623.db2.gz NLIUQXGELDJVPG-GUBZILKMSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@H](F)C2)C(=O)[C@H]1C ZINC000840114684 586448626 /nfs/dbraw/zinc/44/86/26/586448626.db2.gz NLIUQXGELDJVPG-GUBZILKMSA-N 1 2 214.284 1.102 20 0 BDADLO CC1(C)CCC(=O)N1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000808164747 586465264 /nfs/dbraw/zinc/46/52/64/586465264.db2.gz IWAVZDVWJLCVIJ-PHIMTYICSA-N 1 2 238.331 1.208 20 0 BDADLO CC1(C)CCC(=O)N1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000808164747 586465266 /nfs/dbraw/zinc/46/52/66/586465266.db2.gz IWAVZDVWJLCVIJ-PHIMTYICSA-N 1 2 238.331 1.208 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCOC1CCC1 ZINC000808258269 586468599 /nfs/dbraw/zinc/46/85/99/586468599.db2.gz CEFDIUJDSDMSDC-MRVPVSSYSA-N 1 2 216.281 1.089 20 0 BDADLO CC(C)c1nnc([C@@H](C)NCc2cn(C)c[nH+]2)[nH]1 ZINC000808401583 586470851 /nfs/dbraw/zinc/47/08/51/586470851.db2.gz JWBVIRGQXRRSDS-SECBINFHSA-N 1 2 248.334 1.512 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2cccc(F)n2)nn1 ZINC000808398757 586470987 /nfs/dbraw/zinc/47/09/87/586470987.db2.gz FXTCSRUVXLRVHQ-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO Cn1c[nH+]c(CNc2cccc3c2OCO3)c1 ZINC000808403013 586471851 /nfs/dbraw/zinc/47/18/51/586471851.db2.gz KHHWWUGPCUNBEO-UHFFFAOYSA-N 1 2 231.255 1.761 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000808740970 586486880 /nfs/dbraw/zinc/48/68/80/586486880.db2.gz UKWTYFGHMKIVTE-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000808740970 586486881 /nfs/dbraw/zinc/48/68/81/586486881.db2.gz UKWTYFGHMKIVTE-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000808740970 586486882 /nfs/dbraw/zinc/48/68/82/586486882.db2.gz UKWTYFGHMKIVTE-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000808740970 586486883 /nfs/dbraw/zinc/48/68/83/586486883.db2.gz UKWTYFGHMKIVTE-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO CC(C)C(=O)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000808753371 586487975 /nfs/dbraw/zinc/48/79/75/586487975.db2.gz YIPGVBGFCXEONF-QWRGUYRKSA-N 1 2 245.388 1.443 20 0 BDADLO COCCOCC[N@H+](C)C/C(Cl)=C\Cl ZINC000808792528 586490478 /nfs/dbraw/zinc/49/04/78/586490478.db2.gz KXKOIEFMRBPJLT-VQHVLOKHSA-N 1 2 242.146 1.900 20 0 BDADLO COCCOCC[N@@H+](C)C/C(Cl)=C\Cl ZINC000808792528 586490480 /nfs/dbraw/zinc/49/04/80/586490480.db2.gz KXKOIEFMRBPJLT-VQHVLOKHSA-N 1 2 242.146 1.900 20 0 BDADLO CC1C[NH+](Cc2ncc(C3OCCO3)s2)C1 ZINC000809657654 586511075 /nfs/dbraw/zinc/51/10/75/586511075.db2.gz LPFHHCHCHJBMMQ-UHFFFAOYSA-N 1 2 240.328 1.640 20 0 BDADLO C[C@@H]1CN(C(=O)c2ocnc2C2CC2)CC[N@@H+]1C ZINC000809694335 586513447 /nfs/dbraw/zinc/51/34/47/586513447.db2.gz LIKUHEPWQJXKML-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1CN(C(=O)c2ocnc2C2CC2)CC[N@H+]1C ZINC000809694335 586513448 /nfs/dbraw/zinc/51/34/48/586513448.db2.gz LIKUHEPWQJXKML-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO COc1ccc(C[NH2+]Cc2nonc2C)cc1O ZINC000809742517 586516182 /nfs/dbraw/zinc/51/61/82/586516182.db2.gz AWVJLJSKDLQKCR-UHFFFAOYSA-N 1 2 249.270 1.382 20 0 BDADLO Cc1nonc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000809743970 586516410 /nfs/dbraw/zinc/51/64/10/586516410.db2.gz ONQZKIWSDYUZDP-UHFFFAOYSA-N 1 2 243.270 1.544 20 0 BDADLO CCc1cc(NC(=O)NCc2c[nH+]cn2C)no1 ZINC000809880652 586521952 /nfs/dbraw/zinc/52/19/52/586521952.db2.gz ZSRUGVJKNCRMQQ-UHFFFAOYSA-N 1 2 249.274 1.292 20 0 BDADLO Cn1ncc(C[NH2+]C(C)(C)c2ccc(F)cc2)n1 ZINC000809960214 586526229 /nfs/dbraw/zinc/52/62/29/586526229.db2.gz KXICNIHWWIBJMI-UHFFFAOYSA-N 1 2 248.305 1.979 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cccnc1C ZINC000809996707 586528255 /nfs/dbraw/zinc/52/82/55/586528255.db2.gz LQUPKYNXQPRILM-SECBINFHSA-N 1 2 223.276 1.423 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)n1 ZINC000809998819 586530154 /nfs/dbraw/zinc/53/01/54/586530154.db2.gz WDPUISSJSHJPGI-IONNQARKSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)n1 ZINC000809998819 586530155 /nfs/dbraw/zinc/53/01/55/586530155.db2.gz WDPUISSJSHJPGI-IONNQARKSA-N 1 2 248.252 1.588 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000810045938 586532536 /nfs/dbraw/zinc/53/25/36/586532536.db2.gz ZACHPJKZNLYUJV-SSDOTTSWSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nonc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000810045938 586532537 /nfs/dbraw/zinc/53/25/37/586532537.db2.gz ZACHPJKZNLYUJV-SSDOTTSWSA-N 1 2 231.246 1.855 20 0 BDADLO C[C@@]1([NH2+]CCCc2ccncc2)CCOC1=O ZINC000810096316 586533554 /nfs/dbraw/zinc/53/35/54/586533554.db2.gz KLBGOKQPRAGSFV-CYBMUJFWSA-N 1 2 234.299 1.309 20 0 BDADLO C[C@]1(NCc2cn3ccccc3[nH+]2)CCOC1=O ZINC000810096627 586533662 /nfs/dbraw/zinc/53/36/62/586533662.db2.gz RPVBENWXEJHTOC-ZDUSSCGKSA-N 1 2 245.282 1.130 20 0 BDADLO Cc1ccc(Cn2cnc(Cl)n2)c(C)[nH+]1 ZINC000840207624 586545665 /nfs/dbraw/zinc/54/56/65/586545665.db2.gz DFPYFIDPGDNLLR-UHFFFAOYSA-N 1 2 222.679 1.992 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H](F)c1ccccc1 ZINC000810757009 586546398 /nfs/dbraw/zinc/54/63/98/586546398.db2.gz DYCGKVUNSBOEPQ-GFCCVEGCSA-N 1 2 247.273 1.747 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(O)c(F)c1 ZINC000811588858 586561766 /nfs/dbraw/zinc/56/17/66/586561766.db2.gz ZXXDKYUSCUMQGW-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO C[C@@H](CNC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000811892153 586568199 /nfs/dbraw/zinc/56/81/99/586568199.db2.gz LQRFIUVHLQUFPO-VIFPVBQESA-N 1 2 236.319 1.265 20 0 BDADLO CCC/C(C)=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000811933882 586568950 /nfs/dbraw/zinc/56/89/50/586568950.db2.gz IYTINLVBUAESFM-YRNVUSSQSA-N 1 2 233.315 1.972 20 0 BDADLO CC[N@H+](Cn1cccnc1=S)[C@H]1CCOC1 ZINC000812297158 586572970 /nfs/dbraw/zinc/57/29/70/586572970.db2.gz UXWXPQAIOSLQDZ-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO CC[N@@H+](Cn1cccnc1=S)[C@H]1CCOC1 ZINC000812297158 586572971 /nfs/dbraw/zinc/57/29/71/586572971.db2.gz UXWXPQAIOSLQDZ-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NOC1CCC1 ZINC000812317562 586573660 /nfs/dbraw/zinc/57/36/60/586573660.db2.gz KCTDGFGWNNIUDV-SECBINFHSA-N 1 2 238.291 1.055 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]2C[C@H]21 ZINC000812486130 586578021 /nfs/dbraw/zinc/57/80/21/586578021.db2.gz FOGVZPUQXGVGLX-GXSJLCMTSA-N 1 2 234.303 1.114 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC(C2CC2)C1 ZINC000812653260 586581634 /nfs/dbraw/zinc/58/16/34/586581634.db2.gz LHHUQKJJRAPCAY-UHFFFAOYSA-N 1 2 241.294 1.816 20 0 BDADLO CCCCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842658428 586588996 /nfs/dbraw/zinc/58/89/96/586588996.db2.gz YBXIZFQBPKWAFF-LLVKDONJSA-N 1 2 244.335 1.871 20 0 BDADLO CC(C)(C)C[C@H](O)CC(=O)NC1=[NH+]CCS1 ZINC000813378475 586601709 /nfs/dbraw/zinc/60/17/09/586601709.db2.gz PVJBBFSFFUSYTJ-MRVPVSSYSA-N 1 2 244.360 1.393 20 0 BDADLO COc1cc[nH+]cc1NC(=S)NC1CCC1 ZINC000814197441 586616700 /nfs/dbraw/zinc/61/67/00/586616700.db2.gz ZQZQJHOSAGLMIU-UHFFFAOYSA-N 1 2 237.328 1.929 20 0 BDADLO Nc1cc(COC(=O)c2cccc(=O)[nH]2)cc[nH+]1 ZINC000814476298 586622566 /nfs/dbraw/zinc/62/25/66/586622566.db2.gz ZRWQDZHMXKDQGE-UHFFFAOYSA-N 1 2 245.238 1.121 20 0 BDADLO Cc1nc(SCC[NH+]2CCOCC2)[nH]c1C ZINC000814776764 586633147 /nfs/dbraw/zinc/63/31/47/586633147.db2.gz JBPJXYJYVZOLPF-UHFFFAOYSA-N 1 2 241.360 1.451 20 0 BDADLO Cc1cocc1C(=O)OCCn1cc[nH+]c1 ZINC000859779992 589060663 /nfs/dbraw/zinc/06/06/63/589060663.db2.gz SGQVFWBHAGODEN-UHFFFAOYSA-N 1 2 220.228 1.642 20 0 BDADLO Cc1nc(C(=O)OCCc2c[nH+]cn2C)c(C)o1 ZINC000816030330 586704741 /nfs/dbraw/zinc/70/47/41/586704741.db2.gz KWBMSDHJVNKTRB-UHFFFAOYSA-N 1 2 249.270 1.424 20 0 BDADLO Cn1ncc(C[N@H+]2CC=CCC2)c1Cl ZINC000816564618 586740743 /nfs/dbraw/zinc/74/07/43/586740743.db2.gz LCKFNVYNNHYQNU-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO Cn1ncc(C[N@@H+]2CC=CCC2)c1Cl ZINC000816564618 586740745 /nfs/dbraw/zinc/74/07/45/586740745.db2.gz LCKFNVYNNHYQNU-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOc1ccccc1 ZINC000816684735 586755616 /nfs/dbraw/zinc/75/56/16/586755616.db2.gz OFRPBMFCVVOQRT-UHFFFAOYSA-N 1 2 245.282 1.774 20 0 BDADLO CN(Cc1cccc(F)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816820023 586766323 /nfs/dbraw/zinc/76/63/23/586766323.db2.gz WWIMJPBIKHHUBJ-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2CCC[C@H]21 ZINC000816938175 586771887 /nfs/dbraw/zinc/77/18/87/586771887.db2.gz TUMAFVHXFXLSSL-GHMZBOCLSA-N 1 2 233.315 1.743 20 0 BDADLO CC1(C)CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816944955 586772675 /nfs/dbraw/zinc/77/26/75/586772675.db2.gz RQBZUTMFDLBUBX-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CCOC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000816973080 586775782 /nfs/dbraw/zinc/77/57/82/586775782.db2.gz HJVGQEZAXGEKRG-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H](C)CONC(=O)CCCn1cc[nH+]c1 ZINC000816974657 586775894 /nfs/dbraw/zinc/77/58/94/586775894.db2.gz KHAAIEXAXRQGET-LLVKDONJSA-N 1 2 239.319 1.757 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)/C=C\SC ZINC000817087249 586781249 /nfs/dbraw/zinc/78/12/49/586781249.db2.gz HVOARZOTRNOHOR-XQRVVYSFSA-N 1 2 238.312 1.583 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1=COCC1 ZINC000817086919 586781276 /nfs/dbraw/zinc/78/12/76/586781276.db2.gz XUGWAPRUWNIZCB-UHFFFAOYSA-N 1 2 234.255 1.011 20 0 BDADLO Cc1cc(CNC(=O)NOC2CCC2)cc(C)[nH+]1 ZINC000817169457 586784887 /nfs/dbraw/zinc/78/48/87/586784887.db2.gz PWSPCOUXMGHRFX-UHFFFAOYSA-N 1 2 249.314 1.982 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC12CC2 ZINC000817233228 586788357 /nfs/dbraw/zinc/78/83/57/586788357.db2.gz PTJXFZWTCPPMJR-QWRGUYRKSA-N 1 2 239.315 1.050 20 0 BDADLO C[C@@]1(C(=O)OCCn2cc[nH+]c2)CC1(F)F ZINC000817251979 586790685 /nfs/dbraw/zinc/79/06/85/586790685.db2.gz NAJNWBHGRCLWSG-VIFPVBQESA-N 1 2 230.214 1.472 20 0 BDADLO C[C@]1(C(=O)OCCn2cc[nH+]c2)CC1(F)F ZINC000817251978 586790965 /nfs/dbraw/zinc/79/09/65/586790965.db2.gz NAJNWBHGRCLWSG-SECBINFHSA-N 1 2 230.214 1.472 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000817280460 586792671 /nfs/dbraw/zinc/79/26/71/586792671.db2.gz GUTXSOFUPYGZCN-USYJTPIQSA-N 1 2 237.130 1.516 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000817280460 586792672 /nfs/dbraw/zinc/79/26/72/586792672.db2.gz GUTXSOFUPYGZCN-USYJTPIQSA-N 1 2 237.130 1.516 20 0 BDADLO CC[C@H]1C[NH+](CN2CCCC2=O)C[C@H](CC)O1 ZINC000817364957 586799211 /nfs/dbraw/zinc/79/92/11/586799211.db2.gz IEYISZVQSJPUDP-RYUDHWBXSA-N 1 2 240.347 1.456 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NOCCC1CC1 ZINC000817379725 586799709 /nfs/dbraw/zinc/79/97/09/586799709.db2.gz ZCDFRXVXRHHKHO-UHFFFAOYSA-N 1 2 223.276 1.190 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NOCCC1CC1 ZINC000817379725 586799711 /nfs/dbraw/zinc/79/97/11/586799711.db2.gz ZCDFRXVXRHHKHO-UHFFFAOYSA-N 1 2 223.276 1.190 20 0 BDADLO CN1CC2(C[NH+](CC3(C)CCC3)C2)OC1=O ZINC000817415884 586802697 /nfs/dbraw/zinc/80/26/97/586802697.db2.gz IDVJZHXEIYEYKI-UHFFFAOYSA-N 1 2 224.304 1.313 20 0 BDADLO O=C(NOCCC1CC1)c1ccc2[nH+]ccn2c1 ZINC000817430057 586805022 /nfs/dbraw/zinc/80/50/22/586805022.db2.gz SLVSTFOUHWHQSC-UHFFFAOYSA-N 1 2 245.282 1.796 20 0 BDADLO CC[C@@H](CO)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817621452 586814462 /nfs/dbraw/zinc/81/44/62/586814462.db2.gz UERJTIORPHJJMA-LBPRGKRZSA-N 1 2 236.315 1.333 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccc(C)cn2)n1 ZINC000818219513 586879948 /nfs/dbraw/zinc/87/99/48/586879948.db2.gz ALBWXQQICBZYPJ-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000818472255 586893653 /nfs/dbraw/zinc/89/36/53/586893653.db2.gz JPRWIQGHSXPUQW-ZJUUUORDSA-N 1 2 229.283 1.815 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/[C@H]1CCCO1 ZINC000819257918 586944978 /nfs/dbraw/zinc/94/49/78/586944978.db2.gz ZWTWPAFVZOHZAV-ORAHPGNNSA-N 1 2 235.287 1.103 20 0 BDADLO COc1cc(C)c([NH2+]CCC(N)=O)cc1C ZINC000819478366 586968459 /nfs/dbraw/zinc/96/84/59/586968459.db2.gz MOEMXJRVSLZBCM-UHFFFAOYSA-N 1 2 222.288 1.599 20 0 BDADLO O=C(NCCOC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820361519 587044950 /nfs/dbraw/zinc/04/49/50/587044950.db2.gz RNLWQXIXCQOOFZ-GHMZBOCLSA-N 1 2 249.314 1.199 20 0 BDADLO O=C(NCCOC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820361519 587044951 /nfs/dbraw/zinc/04/49/51/587044951.db2.gz RNLWQXIXCQOOFZ-GHMZBOCLSA-N 1 2 249.314 1.199 20 0 BDADLO C[N@H+](CCC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000820585832 587056318 /nfs/dbraw/zinc/05/63/18/587056318.db2.gz AYVBLOCANIJHBQ-UHFFFAOYSA-N 1 2 233.271 1.241 20 0 BDADLO C[N@@H+](CCC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000820585832 587056319 /nfs/dbraw/zinc/05/63/19/587056319.db2.gz AYVBLOCANIJHBQ-UHFFFAOYSA-N 1 2 233.271 1.241 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCC(C)(F)F)c1 ZINC000820617874 587059562 /nfs/dbraw/zinc/05/95/62/587059562.db2.gz YKIRYVWBRXZFKS-ONEGZZNKSA-N 1 2 229.230 1.205 20 0 BDADLO Cc1cnc(NCC[N@@H+]2CCOC(C)(C)C2)o1 ZINC000820645375 587061537 /nfs/dbraw/zinc/06/15/37/587061537.db2.gz RQBGJFHIYSAAEI-UHFFFAOYSA-N 1 2 239.319 1.506 20 0 BDADLO Cc1cnc(NCC[N@H+]2CCOC(C)(C)C2)o1 ZINC000820645375 587061538 /nfs/dbraw/zinc/06/15/38/587061538.db2.gz RQBGJFHIYSAAEI-UHFFFAOYSA-N 1 2 239.319 1.506 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cnnn2C)s1 ZINC000820812495 587073906 /nfs/dbraw/zinc/07/39/06/587073906.db2.gz MMPUYHMMGVARNN-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)n1cccn1 ZINC000820858197 587077636 /nfs/dbraw/zinc/07/76/36/587077636.db2.gz QGMIQTWTARXDRG-LLVKDONJSA-N 1 2 248.286 1.274 20 0 BDADLO CC(=O)CN(C(=O)/C=C/c1cn(C)c[nH+]1)C(C)C ZINC000820862005 587077798 /nfs/dbraw/zinc/07/77/98/587077798.db2.gz FTLDGJYQSITSGN-AATRIKPKSA-N 1 2 249.314 1.259 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3cc[nH+]c32)CC=CC1 ZINC000820947386 587083464 /nfs/dbraw/zinc/08/34/64/587083464.db2.gz BDGDDEQHFMFANK-JTQLQIEISA-N 1 2 231.299 1.800 20 0 BDADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820965896 587085254 /nfs/dbraw/zinc/08/52/54/587085254.db2.gz LADDQDODQDFNBY-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2nonc2c1 ZINC000821355122 587110993 /nfs/dbraw/zinc/11/09/93/587110993.db2.gz OJKJBUXEAWSMPN-SECBINFHSA-N 1 2 233.271 1.444 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2nonc2c1 ZINC000821355122 587110994 /nfs/dbraw/zinc/11/09/94/587110994.db2.gz OJKJBUXEAWSMPN-SECBINFHSA-N 1 2 233.271 1.444 20 0 BDADLO Cc1nc[nH]c1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000821517490 587124700 /nfs/dbraw/zinc/12/47/00/587124700.db2.gz RXEQFGJQFBZQQE-SECBINFHSA-N 1 2 245.286 1.419 20 0 BDADLO O=C([O-])C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000821532428 587126861 /nfs/dbraw/zinc/12/68/61/587126861.db2.gz ROMWTXQPLRWUOK-UHFFFAOYSA-N 1 2 235.287 1.043 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607695 587132383 /nfs/dbraw/zinc/13/23/83/587132383.db2.gz AOSREIIJGMVYJB-GXSJLCMTSA-N 1 2 234.299 1.847 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607696 587132509 /nfs/dbraw/zinc/13/25/09/587132509.db2.gz AOSREIIJGMVYJB-KOLCDFICSA-N 1 2 234.299 1.847 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)C1CCC1 ZINC000821608168 587132564 /nfs/dbraw/zinc/13/25/64/587132564.db2.gz WBAHPJBZTPVBOX-UHFFFAOYSA-N 1 2 234.299 1.991 20 0 BDADLO CO[C@@H](C)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607825 587132594 /nfs/dbraw/zinc/13/25/94/587132594.db2.gz HHKMROQHXKPHCQ-VIFPVBQESA-N 1 2 238.287 1.226 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000821704845 587134928 /nfs/dbraw/zinc/13/49/28/587134928.db2.gz FBJHMEYDJZNXJN-SECBINFHSA-N 1 2 233.271 1.293 20 0 BDADLO CCC[C@H](O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821786640 587138123 /nfs/dbraw/zinc/13/81/23/587138123.db2.gz MJBZFSKHFVZVGM-GUBZILKMSA-N 1 2 237.303 1.166 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]1c1ccccc1 ZINC000822030145 587149730 /nfs/dbraw/zinc/14/97/30/587149730.db2.gz PYPBZIGQCSDYPU-GFCCVEGCSA-N 1 2 241.294 1.926 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2C[C@@H]3C[C@H]2CS3)c1 ZINC000822499108 587171797 /nfs/dbraw/zinc/17/17/97/587171797.db2.gz QVMZISFRLVAZDR-ZNRGBCAMSA-N 1 2 249.339 1.150 20 0 BDADLO CCS[C@@H](C)c1noc([C@@H]([NH3+])COC)n1 ZINC000822870028 587190126 /nfs/dbraw/zinc/19/01/26/587190126.db2.gz QAXQGKIGAUOJIJ-BQBZGAKWSA-N 1 2 231.321 1.530 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000822952520 587195341 /nfs/dbraw/zinc/19/53/41/587195341.db2.gz STOAWWXIDASWPD-UCQJPZFISA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000822952520 587195344 /nfs/dbraw/zinc/19/53/44/587195344.db2.gz STOAWWXIDASWPD-UCQJPZFISA-N 1 2 240.347 1.180 20 0 BDADLO CC[C@@](C)(O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823056466 587200079 /nfs/dbraw/zinc/20/00/79/587200079.db2.gz BFMCEKWMHMISFZ-CYBMUJFWSA-N 1 2 236.315 1.476 20 0 BDADLO O=C(N[C@@H]1CCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC000823288746 587213983 /nfs/dbraw/zinc/21/39/83/587213983.db2.gz QKLDAJUSNZPEFY-SECBINFHSA-N 1 2 231.255 1.082 20 0 BDADLO CCC[C@@H](CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000823345820 587217172 /nfs/dbraw/zinc/21/71/72/587217172.db2.gz BFVPQTGKZJDNIV-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000823399483 587219442 /nfs/dbraw/zinc/21/94/42/587219442.db2.gz GKNVTGALADNDSN-JTQLQIEISA-N 1 2 240.376 1.544 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000823399483 587219444 /nfs/dbraw/zinc/21/94/44/587219444.db2.gz GKNVTGALADNDSN-JTQLQIEISA-N 1 2 240.376 1.544 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000823655171 587234827 /nfs/dbraw/zinc/23/48/27/587234827.db2.gz KTOGMWHAKUIHOJ-LMLFDSFASA-N 1 2 246.314 1.426 20 0 BDADLO C[C@H]1CCCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823657531 587235351 /nfs/dbraw/zinc/23/53/51/587235351.db2.gz FTHSZAUOOBDGGQ-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccoc2C)n1 ZINC000823691490 587236484 /nfs/dbraw/zinc/23/64/84/587236484.db2.gz ODIQJBKQDLHZJO-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CCn1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1C ZINC000824355839 587267141 /nfs/dbraw/zinc/26/71/41/587267141.db2.gz WTDPFMDHXVBLCJ-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO CCn1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1C ZINC000824355839 587267142 /nfs/dbraw/zinc/26/71/42/587267142.db2.gz WTDPFMDHXVBLCJ-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000824396946 587267682 /nfs/dbraw/zinc/26/76/82/587267682.db2.gz VVLSZKJGCPGGGQ-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000824396946 587267683 /nfs/dbraw/zinc/26/76/83/587267683.db2.gz VVLSZKJGCPGGGQ-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO CC(C)N(Cc1ccco1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824422625 587270141 /nfs/dbraw/zinc/27/01/41/587270141.db2.gz SCPJFVWXQWNQAZ-UHFFFAOYSA-N 1 2 247.298 1.982 20 0 BDADLO FCC(CF)[NH2+]Cc1[nH]nc2ccccc21 ZINC000824554257 587275776 /nfs/dbraw/zinc/27/57/76/587275776.db2.gz DDISPUNGLQJWKS-UHFFFAOYSA-N 1 2 225.242 1.960 20 0 BDADLO Cn1ncc(C[N@@H+]2CCSC[C@@H]2C2CC2)n1 ZINC000824914796 587293585 /nfs/dbraw/zinc/29/35/85/587293585.db2.gz ZMKMFKMRRBOQCJ-LLVKDONJSA-N 1 2 238.360 1.143 20 0 BDADLO Cn1ncc(C[N@H+]2CCSC[C@@H]2C2CC2)n1 ZINC000824914796 587293586 /nfs/dbraw/zinc/29/35/86/587293586.db2.gz ZMKMFKMRRBOQCJ-LLVKDONJSA-N 1 2 238.360 1.143 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000824998898 587298390 /nfs/dbraw/zinc/29/83/90/587298390.db2.gz FRZMMHJYYROKPH-ISTVAULSSA-N 1 2 246.310 1.979 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)co1 ZINC000825056288 587300291 /nfs/dbraw/zinc/30/02/91/587300291.db2.gz GRHQXLXIKPTTBZ-GWCFXTLKSA-N 1 2 249.358 1.809 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(c2ccccc2)CC1 ZINC000825430327 587319225 /nfs/dbraw/zinc/31/92/25/587319225.db2.gz WPSKJMGKUTUHKR-UHFFFAOYSA-N 1 2 241.294 1.758 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)C=CCC1 ZINC000825514048 587322756 /nfs/dbraw/zinc/32/27/56/587322756.db2.gz XPQBQUCQYBJWHM-GWCFXTLKSA-N 1 2 231.299 1.800 20 0 BDADLO C/C(=C\C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741401 587335683 /nfs/dbraw/zinc/33/56/83/587335683.db2.gz MQPNIPTYJCXQDF-QNCMIEPLSA-N 1 2 249.314 1.551 20 0 BDADLO C/C(=C\C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741401 587335685 /nfs/dbraw/zinc/33/56/85/587335685.db2.gz MQPNIPTYJCXQDF-QNCMIEPLSA-N 1 2 249.314 1.551 20 0 BDADLO C/C(=C\C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742063 587335725 /nfs/dbraw/zinc/33/57/25/587335725.db2.gz VRVXCJOOFKDBKK-LLMHMKPQSA-N 1 2 249.314 1.620 20 0 BDADLO C/C(=C\C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742063 587335728 /nfs/dbraw/zinc/33/57/28/587335728.db2.gz VRVXCJOOFKDBKK-LLMHMKPQSA-N 1 2 249.314 1.620 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000827119598 587370460 /nfs/dbraw/zinc/37/04/60/587370460.db2.gz ALNAPCGKJMYJKS-MWLCHTKSSA-N 1 2 248.330 1.768 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H]1CCC=CO1 ZINC000827352663 587378331 /nfs/dbraw/zinc/37/83/31/587378331.db2.gz MSJUCOCOLSLVAY-ZYHUDNBSSA-N 1 2 245.294 1.560 20 0 BDADLO CCN(CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827365506 587378703 /nfs/dbraw/zinc/37/87/03/587378703.db2.gz MUJKFANFDHEAEW-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C/C=C/CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000827493616 587383242 /nfs/dbraw/zinc/38/32/42/587383242.db2.gz RQKRHDCFSFDYSA-VNKDHWASSA-N 1 2 205.261 1.126 20 0 BDADLO CC(=O)N1CC[NH+](CCC(=O)CC(C)C)CC1 ZINC000827719060 587399086 /nfs/dbraw/zinc/39/90/86/587399086.db2.gz DCVLBJVJZNMBPA-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)CC(C)C ZINC000828450135 587443037 /nfs/dbraw/zinc/44/30/37/587443037.db2.gz FPVMPBUUEDPYJV-SNVBAGLBSA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)CC(C)C ZINC000828450135 587443038 /nfs/dbraw/zinc/44/30/38/587443038.db2.gz FPVMPBUUEDPYJV-SNVBAGLBSA-N 1 2 229.320 1.485 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000828834336 587465424 /nfs/dbraw/zinc/46/54/24/587465424.db2.gz PVIALOUOLOMMII-VWYCJHECSA-N 1 2 231.336 1.325 20 0 BDADLO O=C(CCF)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829057799 587481072 /nfs/dbraw/zinc/48/10/72/587481072.db2.gz UTZBONNCCINNKN-UHFFFAOYSA-N 1 2 237.278 1.533 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC1CC(F)(F)C1 ZINC000829092519 587482769 /nfs/dbraw/zinc/48/27/69/587482769.db2.gz FCNJRMDTTSUNGQ-QMMMGPOBSA-N 1 2 241.228 1.734 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC1CC(F)(F)C1 ZINC000829092519 587482770 /nfs/dbraw/zinc/48/27/70/587482770.db2.gz FCNJRMDTTSUNGQ-QMMMGPOBSA-N 1 2 241.228 1.734 20 0 BDADLO C/C=C(/CC)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829417697 587496650 /nfs/dbraw/zinc/49/66/50/587496650.db2.gz NGSOOMQFENQLNG-WMZJFQQLSA-N 1 2 248.330 1.623 20 0 BDADLO C/C=C(/CC)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829417697 587496651 /nfs/dbraw/zinc/49/66/51/587496651.db2.gz NGSOOMQFENQLNG-WMZJFQQLSA-N 1 2 248.330 1.623 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C3=CCCC3)cc2C1 ZINC000829435303 587497257 /nfs/dbraw/zinc/49/72/57/587497257.db2.gz OUJAAQCSKPBMLU-UHFFFAOYSA-N 1 2 246.314 1.377 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C3=CCCC3)cc2C1 ZINC000829435303 587497258 /nfs/dbraw/zinc/49/72/58/587497258.db2.gz OUJAAQCSKPBMLU-UHFFFAOYSA-N 1 2 246.314 1.377 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)c3ccco3)cc2C1 ZINC000829471825 587499389 /nfs/dbraw/zinc/49/93/89/587499389.db2.gz HRLPWRLCOVCGCA-UHFFFAOYSA-N 1 2 246.270 1.174 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)c3ccco3)cc2C1 ZINC000829471825 587499390 /nfs/dbraw/zinc/49/93/90/587499390.db2.gz HRLPWRLCOVCGCA-UHFFFAOYSA-N 1 2 246.270 1.174 20 0 BDADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccncc1 ZINC000829715211 587511329 /nfs/dbraw/zinc/51/13/29/587511329.db2.gz NTFZOBDRUDDNNI-JTQLQIEISA-N 1 2 244.298 1.267 20 0 BDADLO O=C(NCCC1CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000829928478 587528480 /nfs/dbraw/zinc/52/84/80/587528480.db2.gz CPQRGRJXRYILFB-NSHDSACASA-N 1 2 247.342 1.821 20 0 BDADLO O=C(NCCC1CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000829928478 587528481 /nfs/dbraw/zinc/52/84/81/587528481.db2.gz CPQRGRJXRYILFB-NSHDSACASA-N 1 2 247.342 1.821 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCOC2(CCC2)C1 ZINC000830522930 587555496 /nfs/dbraw/zinc/55/54/96/587555496.db2.gz NSBUNNZGGHTYQL-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000830522931 587555618 /nfs/dbraw/zinc/55/56/18/587555618.db2.gz NSBUNNZGGHTYQL-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000830658302 587562769 /nfs/dbraw/zinc/56/27/69/587562769.db2.gz MPUWQAZXTUCOOZ-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)CC(C)(C)CO ZINC000830703338 587564068 /nfs/dbraw/zinc/56/40/68/587564068.db2.gz CMIDOWAXWZXOQA-UHFFFAOYSA-N 1 2 231.336 1.136 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000830703338 587564069 /nfs/dbraw/zinc/56/40/69/587564069.db2.gz CMIDOWAXWZXOQA-UHFFFAOYSA-N 1 2 231.336 1.136 20 0 BDADLO CCc1ncsc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000830748230 587566925 /nfs/dbraw/zinc/56/69/25/587566925.db2.gz DLSSFTNJPBKACF-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1(C2CC2)CC1 ZINC000830958667 587578331 /nfs/dbraw/zinc/57/83/31/587578331.db2.gz VCCVKVZASKCHBF-UHFFFAOYSA-N 1 2 219.288 1.259 20 0 BDADLO Cc1ccc(C[N@H+](C)CC2OCCO2)nc1 ZINC000831059642 587584953 /nfs/dbraw/zinc/58/49/53/587584953.db2.gz ZEZHSZQHYOGWKJ-UHFFFAOYSA-N 1 2 222.288 1.195 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC2OCCO2)nc1 ZINC000831059642 587584954 /nfs/dbraw/zinc/58/49/54/587584954.db2.gz ZEZHSZQHYOGWKJ-UHFFFAOYSA-N 1 2 222.288 1.195 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCCC2CC=CC2)c1 ZINC000831415645 587605008 /nfs/dbraw/zinc/60/50/08/587605008.db2.gz SFBRJSZCCHDEBG-VOTSOKGWSA-N 1 2 245.326 1.906 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCOCC12CCCC2 ZINC000831444807 587607243 /nfs/dbraw/zinc/60/72/43/587607243.db2.gz VKELCNQVERJSSH-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CC[C@@H](CSC)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000831674989 587627447 /nfs/dbraw/zinc/62/74/47/587627447.db2.gz MUFSFZQFHJAMLC-VIFPVBQESA-N 1 2 241.360 1.552 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831726375 587629271 /nfs/dbraw/zinc/62/92/71/587629271.db2.gz BPNORAKDFQFYGE-VIFPVBQESA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]2CCCC[C@H]21 ZINC000831966278 587639924 /nfs/dbraw/zinc/63/99/24/587639924.db2.gz MHHOSTBNQDWSQG-GRYCIOLGSA-N 1 2 247.342 1.989 20 0 BDADLO CC1(C)CC[N@H+](C/C=C\Cl)CC[S@]1=O ZINC000832016171 587642694 /nfs/dbraw/zinc/64/26/94/587642694.db2.gz KWTZFCYWJDEGFE-PKXJPQMGSA-N 1 2 235.780 1.972 20 0 BDADLO CC1(C)CC[N@@H+](C/C=C\Cl)CC[S@]1=O ZINC000832016171 587642696 /nfs/dbraw/zinc/64/26/96/587642696.db2.gz KWTZFCYWJDEGFE-PKXJPQMGSA-N 1 2 235.780 1.972 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000832033311 587643528 /nfs/dbraw/zinc/64/35/28/587643528.db2.gz QLJQZUMSVBRXAJ-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCO[C@@H]1C1CC1 ZINC000832126614 587645613 /nfs/dbraw/zinc/64/56/13/587645613.db2.gz PAYFTKGTUQEXPC-CHWSQXEVSA-N 1 2 249.314 1.026 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000832170908 587648048 /nfs/dbraw/zinc/64/80/48/587648048.db2.gz ZHNFNCQDQKPOKJ-SNVBAGLBSA-N 1 2 229.320 1.200 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CCC[C@H]1OCC ZINC000832571247 587667635 /nfs/dbraw/zinc/66/76/35/587667635.db2.gz ZJAQPQOMZMBLKH-VXGBXAGGSA-N 1 2 243.347 1.877 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833286698 587704856 /nfs/dbraw/zinc/70/48/56/587704856.db2.gz ZWXQTTAWLDEGRZ-BDAKNGLRSA-N 1 2 219.288 1.490 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834305354 587750816 /nfs/dbraw/zinc/75/08/16/587750816.db2.gz AXEGUXJZYKFJFM-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000834370743 587753176 /nfs/dbraw/zinc/75/31/76/587753176.db2.gz DKBIAPRMWNCXDV-VWYCJHECSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H]1CCSCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000834369400 587753217 /nfs/dbraw/zinc/75/32/17/587753217.db2.gz PTORDLKMKBVFJB-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO CCOC1C[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000834377103 587753385 /nfs/dbraw/zinc/75/33/85/587753385.db2.gz BHWAIMTXNJSZQU-ZDUSSCGKSA-N 1 2 239.290 1.580 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CSC1CC1 ZINC000835322908 587796354 /nfs/dbraw/zinc/79/63/54/587796354.db2.gz JSKQDYWGLPPDLC-UHFFFAOYSA-N 1 2 240.328 1.401 20 0 BDADLO CC/C(C)=C\C(=O)OCCn1cc[nH+]c1 ZINC000835349292 587797730 /nfs/dbraw/zinc/79/77/30/587797730.db2.gz FKMFDLDJAYSDJG-NTMALXAHSA-N 1 2 208.261 1.783 20 0 BDADLO CCC[C@@H](OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835370374 587798688 /nfs/dbraw/zinc/79/86/88/587798688.db2.gz FYBSAJHETBAHOT-GHMZBOCLSA-N 1 2 247.310 1.389 20 0 BDADLO CCC[C@@H](OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835370374 587798689 /nfs/dbraw/zinc/79/86/89/587798689.db2.gz FYBSAJHETBAHOT-GHMZBOCLSA-N 1 2 247.310 1.389 20 0 BDADLO O=C(NCC1CCCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000836221474 587829072 /nfs/dbraw/zinc/82/90/72/587829072.db2.gz KUBNOGIJPBYEEA-NSHDSACASA-N 1 2 248.330 1.817 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836951446 587843413 /nfs/dbraw/zinc/84/34/13/587843413.db2.gz AZMTYKUMUUWTGY-GUBZILKMSA-N 1 2 239.294 1.999 20 0 BDADLO Cc1nonc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836956610 587843519 /nfs/dbraw/zinc/84/35/19/587843519.db2.gz XHEJMHOHRFPYLO-HTRCEHHLSA-N 1 2 247.258 1.010 20 0 BDADLO C/C=C\C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000837263297 587862504 /nfs/dbraw/zinc/86/25/04/587862504.db2.gz GFLFRJUHISKEPT-PLNGDYQASA-N 1 2 225.317 1.719 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CC2(F)F)cc[nH+]1 ZINC000837980723 587907502 /nfs/dbraw/zinc/90/75/02/587907502.db2.gz MXTBRQJPDYGINF-ZETCQYMHSA-N 1 2 228.198 1.362 20 0 BDADLO O[C@H](Cn1cc[nH+]c1-c1cccnc1)C1CC1 ZINC000840751991 587919415 /nfs/dbraw/zinc/91/94/15/587919415.db2.gz VVWLNLMPMGBFON-GFCCVEGCSA-N 1 2 229.283 1.716 20 0 BDADLO Cn1ccnc1[C@H]1[N@H+](C[C@@H](O)C2CC2)CC1(C)C ZINC000840768726 587920940 /nfs/dbraw/zinc/92/09/40/587920940.db2.gz PFAIXZQNJAKFHR-VXGBXAGGSA-N 1 2 249.358 1.574 20 0 BDADLO Cn1ccnc1[C@H]1[N@@H+](C[C@@H](O)C2CC2)CC1(C)C ZINC000840768726 587920941 /nfs/dbraw/zinc/92/09/41/587920941.db2.gz PFAIXZQNJAKFHR-VXGBXAGGSA-N 1 2 249.358 1.574 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)CC(C)C ZINC000842046849 587992831 /nfs/dbraw/zinc/99/28/31/587992831.db2.gz HENVNZJQACZHPH-MNOVXSKESA-N 1 2 244.335 1.725 20 0 BDADLO CO[C@H](CC(C)C)C(=O)OCCn1cc[nH+]c1 ZINC000842116276 588002071 /nfs/dbraw/zinc/00/20/71/588002071.db2.gz OBISQXFVHPSKAJ-LLVKDONJSA-N 1 2 240.303 1.487 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000842161234 588004475 /nfs/dbraw/zinc/00/44/75/588004475.db2.gz MSCRAGCDHRNJPN-GARJFASQSA-N 1 2 243.347 1.874 20 0 BDADLO CCC[C@@H](C)c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000842490362 588030272 /nfs/dbraw/zinc/03/02/72/588030272.db2.gz LWYSOGUSEYHHRR-NXEZZACHSA-N 1 2 239.319 1.976 20 0 BDADLO CCC[C@@H](C)c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000842490362 588030273 /nfs/dbraw/zinc/03/02/73/588030273.db2.gz LWYSOGUSEYHHRR-NXEZZACHSA-N 1 2 239.319 1.976 20 0 BDADLO Nc1cccc(-c2noc([C@H]3CSC[NH2+]3)n2)c1 ZINC000842623146 588046003 /nfs/dbraw/zinc/04/60/03/588046003.db2.gz UFXJRMGYLHMYET-SECBINFHSA-N 1 2 248.311 1.654 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCC[C@H]1CCOC1 ZINC000842648315 588049107 /nfs/dbraw/zinc/04/91/07/588049107.db2.gz PZLMGSKCMDMLQF-NSHDSACASA-N 1 2 244.335 1.727 20 0 BDADLO CC[NH2+]Cc1noc(C(=O)c2ccc(F)cc2)n1 ZINC000843144637 588085859 /nfs/dbraw/zinc/08/58/59/588085859.db2.gz FNQISFQRPSTRBP-UHFFFAOYSA-N 1 2 249.245 1.549 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)c2ccco2)n1 ZINC000843145191 588086494 /nfs/dbraw/zinc/08/64/94/588086494.db2.gz VZILWNDKHSPPSN-MRVPVSSYSA-N 1 2 221.260 1.924 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)c2ccco2)n1 ZINC000843145192 588086800 /nfs/dbraw/zinc/08/68/00/588086800.db2.gz VZILWNDKHSPPSN-QMMMGPOBSA-N 1 2 221.260 1.924 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1(F)CC1 ZINC000843774816 588139215 /nfs/dbraw/zinc/13/92/15/588139215.db2.gz XCMVYZUOKINZHN-UHFFFAOYSA-N 1 2 248.301 1.621 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1(F)CC1)CC2 ZINC000843852603 588145125 /nfs/dbraw/zinc/14/51/25/588145125.db2.gz YKEKCKYZWSCWPJ-UHFFFAOYSA-N 1 2 223.251 1.036 20 0 BDADLO CC[C@@H](NC(=O)C1(F)CC1)c1[nH]cc[nH+]1 ZINC000843856196 588145623 /nfs/dbraw/zinc/14/56/23/588145623.db2.gz GFSHUNLSRPQIBF-SSDOTTSWSA-N 1 2 211.240 1.479 20 0 BDADLO CC[C@H](NC(=O)C1(F)CC1)c1[nH]cc[nH+]1 ZINC000843856197 588145635 /nfs/dbraw/zinc/14/56/35/588145635.db2.gz GFSHUNLSRPQIBF-ZETCQYMHSA-N 1 2 211.240 1.479 20 0 BDADLO CC/C(C)=C\C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883828 588147416 /nfs/dbraw/zinc/14/74/16/588147416.db2.gz LOASGUFYGPKRID-YVMONPNESA-N 1 2 234.303 1.340 20 0 BDADLO C[C@@H](CC(=O)OCc1cccnc1)n1cc[nH+]c1 ZINC000844272611 588179019 /nfs/dbraw/zinc/17/90/19/588179019.db2.gz ALENALUDKQMFKW-NSHDSACASA-N 1 2 245.282 1.973 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452233 588195280 /nfs/dbraw/zinc/19/52/80/588195280.db2.gz VYZLDFVLMIQMTG-BBBLOLIVSA-N 1 2 246.301 1.344 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452233 588195282 /nfs/dbraw/zinc/19/52/82/588195282.db2.gz VYZLDFVLMIQMTG-BBBLOLIVSA-N 1 2 246.301 1.344 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844470542 588198066 /nfs/dbraw/zinc/19/80/66/588198066.db2.gz KEWYMGVZQCFGFF-NSHDSACASA-N 1 2 247.285 1.917 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844470542 588198067 /nfs/dbraw/zinc/19/80/67/588198067.db2.gz KEWYMGVZQCFGFF-NSHDSACASA-N 1 2 247.285 1.917 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1CCC=CO1)n1cc[nH+]c1 ZINC000844489731 588199494 /nfs/dbraw/zinc/19/94/94/588199494.db2.gz KJNNYTNKLQTYGT-NWDGAFQWSA-N 1 2 249.314 1.643 20 0 BDADLO C[C@H]1C[N@H+](CN2C(=O)CC23CCCC3)CCO1 ZINC000844680424 588213166 /nfs/dbraw/zinc/21/31/66/588213166.db2.gz JAYWBVHOBMMNJE-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[C@H]1C[N@@H+](CN2C(=O)CC23CCCC3)CCO1 ZINC000844680424 588213167 /nfs/dbraw/zinc/21/31/67/588213167.db2.gz JAYWBVHOBMMNJE-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO O=C1CC2(CCCC2)N1C[NH+]1CCSCC1 ZINC000844684063 588213860 /nfs/dbraw/zinc/21/38/60/588213860.db2.gz BHIGRKMYEBZQRQ-UHFFFAOYSA-N 1 2 240.372 1.538 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1CC2(CCC2)C1 ZINC000845199332 588223653 /nfs/dbraw/zinc/22/36/53/588223653.db2.gz CDWPVSZTODRVIE-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO CC(=O)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278105 588225057 /nfs/dbraw/zinc/22/50/57/588225057.db2.gz LRKTVAKWMDIPEY-SCZZXKLOSA-N 1 2 224.260 1.355 20 0 BDADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)n1cc[nH+]c1 ZINC000845282021 588225323 /nfs/dbraw/zinc/22/53/23/588225323.db2.gz LBBUAMZCZVVYAZ-LLVKDONJSA-N 1 2 248.286 1.274 20 0 BDADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)n1ccnc1 ZINC000845282021 588225324 /nfs/dbraw/zinc/22/53/24/588225324.db2.gz LBBUAMZCZVVYAZ-LLVKDONJSA-N 1 2 248.286 1.274 20 0 BDADLO C[C@H](CC(=O)OCCn1ccnc1)n1cc[nH+]c1 ZINC000845282021 588225325 /nfs/dbraw/zinc/22/53/25/588225325.db2.gz LBBUAMZCZVVYAZ-LLVKDONJSA-N 1 2 248.286 1.274 20 0 BDADLO C[C@@H](CC(=O)OCCCCO)n1cc[nH+]c1 ZINC000845283097 588225455 /nfs/dbraw/zinc/22/54/55/588225455.db2.gz SPVNQNDNEONMRH-JTQLQIEISA-N 1 2 226.276 1.150 20 0 BDADLO C[C@@H](CC(=O)OCCCCCO)n1cc[nH+]c1 ZINC000845285737 588225663 /nfs/dbraw/zinc/22/56/63/588225663.db2.gz SCOMFVQQZOSORO-NSHDSACASA-N 1 2 240.303 1.540 20 0 BDADLO C[C@H](CC(=O)O[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000845284447 588225873 /nfs/dbraw/zinc/22/58/73/588225873.db2.gz BWULCBFGYJNSMS-NXEZZACHSA-N 1 2 224.260 1.166 20 0 BDADLO Cc1nnc(COC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]1 ZINC000845286242 588225949 /nfs/dbraw/zinc/22/59/49/588225949.db2.gz OXLWYEWFASVIOG-MRVPVSSYSA-N 1 2 249.274 1.004 20 0 BDADLO Cc1nc(COC(=O)C[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC000845286242 588225950 /nfs/dbraw/zinc/22/59/50/588225950.db2.gz OXLWYEWFASVIOG-MRVPVSSYSA-N 1 2 249.274 1.004 20 0 BDADLO CCONC(=O)CNc1[nH+]c2ccccc2n1C ZINC000845713647 588242141 /nfs/dbraw/zinc/24/21/41/588242141.db2.gz NGKWVMYHUCOTNW-UHFFFAOYSA-N 1 2 248.286 1.053 20 0 BDADLO C[C@@H](CC(=O)NN1CCCCC1)n1cc[nH+]c1 ZINC000845885350 588249373 /nfs/dbraw/zinc/24/93/73/588249373.db2.gz CSAUDNSIVATFSC-NSHDSACASA-N 1 2 236.319 1.351 20 0 BDADLO CC[C@H](NC(=O)C=C(C)COC)c1[nH]cc[nH+]1 ZINC000845953727 588251551 /nfs/dbraw/zinc/25/15/51/588251551.db2.gz ZIJCDAYEUBCRGJ-RNKPRXRFSA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@H](NC(=O)/C=C(/C)COC)c1[nH]cc[nH+]1 ZINC000845953727 588251552 /nfs/dbraw/zinc/25/15/52/588251552.db2.gz ZIJCDAYEUBCRGJ-RNKPRXRFSA-N 1 2 237.303 1.570 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H](COC)CC(C)(C)C ZINC000845962733 588252160 /nfs/dbraw/zinc/25/21/60/588252160.db2.gz APRLVRSTDCYRDP-MNOVXSKESA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)[C@@H](CC)CO1 ZINC000846026094 588253915 /nfs/dbraw/zinc/25/39/15/588253915.db2.gz CDRDZBHEVZRXRB-QWHCGFSZSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)[C@@H](CC)CO1 ZINC000846026094 588253916 /nfs/dbraw/zinc/25/39/16/588253916.db2.gz CDRDZBHEVZRXRB-QWHCGFSZSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)nn2C)[C@H](C)CO1 ZINC000846044220 588254747 /nfs/dbraw/zinc/25/47/47/588254747.db2.gz GFFHCGLNGZEPNT-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)[C@H](C)CO1 ZINC000846044220 588254748 /nfs/dbraw/zinc/25/47/48/588254748.db2.gz GFFHCGLNGZEPNT-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000846080018 588255684 /nfs/dbraw/zinc/25/56/84/588255684.db2.gz GMMVVQMHZBSWQM-STQMWFEESA-N 1 2 248.326 1.447 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000846088323 588255999 /nfs/dbraw/zinc/25/59/99/588255999.db2.gz XDPHUQJCPSIHPE-HBNTYKKESA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000846089253 588256359 /nfs/dbraw/zinc/25/63/59/588256359.db2.gz QGDKFHWHYXLGNL-NXEZZACHSA-N 1 2 228.336 1.468 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109136 588257152 /nfs/dbraw/zinc/25/71/52/588257152.db2.gz CCEUDLLBLIKHQG-KNVOCYPGSA-N 1 2 247.676 1.770 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109136 588257153 /nfs/dbraw/zinc/25/71/53/588257153.db2.gz CCEUDLLBLIKHQG-KNVOCYPGSA-N 1 2 247.676 1.770 20 0 BDADLO C[C@H](CC(=O)NOC/C=C\Cl)n1cc[nH+]c1 ZINC000846194981 588259773 /nfs/dbraw/zinc/25/97/73/588259773.db2.gz WOLORPRFVZJDSK-PKRMOACSSA-N 1 2 243.694 1.635 20 0 BDADLO C[C@@H](CC(=O)NOCC1CC1)n1cc[nH+]c1 ZINC000846219388 588260973 /nfs/dbraw/zinc/26/09/73/588260973.db2.gz PTSFHOIOCGXEOX-VIFPVBQESA-N 1 2 223.276 1.292 20 0 BDADLO CC(C)(NC(=O)c1cccnc1F)c1[nH]cc[nH+]1 ZINC000846248465 588262908 /nfs/dbraw/zinc/26/29/08/588262908.db2.gz VSYXSAYKLPRGDD-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1nccn1C1CC1 ZINC000846261556 588262959 /nfs/dbraw/zinc/26/29/59/588262959.db2.gz RZCMLAIXSBLUAT-UHFFFAOYSA-N 1 2 231.259 1.053 20 0 BDADLO C[C@@H]1C[N@H+](CC2(Br)CC2)CCO1 ZINC000846761718 588286447 /nfs/dbraw/zinc/28/64/47/588286447.db2.gz XKNCEUAUHYOJDI-MRVPVSSYSA-N 1 2 234.137 1.635 20 0 BDADLO C[C@@H]1C[N@@H+](CC2(Br)CC2)CCO1 ZINC000846761718 588286448 /nfs/dbraw/zinc/28/64/48/588286448.db2.gz XKNCEUAUHYOJDI-MRVPVSSYSA-N 1 2 234.137 1.635 20 0 BDADLO C[C@H]1COCC[N@@H+]1CC1(Br)CC1 ZINC000846769764 588287086 /nfs/dbraw/zinc/28/70/86/588287086.db2.gz PFTKMJRSVUOPPC-QMMMGPOBSA-N 1 2 234.137 1.635 20 0 BDADLO C[C@H]1COCC[N@H+]1CC1(Br)CC1 ZINC000846769764 588287087 /nfs/dbraw/zinc/28/70/87/588287087.db2.gz PFTKMJRSVUOPPC-QMMMGPOBSA-N 1 2 234.137 1.635 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CC1(Br)CC1 ZINC000846769762 588287195 /nfs/dbraw/zinc/28/71/95/588287195.db2.gz PFTKMJRSVUOPPC-MRVPVSSYSA-N 1 2 234.137 1.635 20 0 BDADLO C[C@@H]1COCC[N@H+]1CC1(Br)CC1 ZINC000846769762 588287196 /nfs/dbraw/zinc/28/71/96/588287196.db2.gz PFTKMJRSVUOPPC-MRVPVSSYSA-N 1 2 234.137 1.635 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2nonc2c1 ZINC000846804048 588289662 /nfs/dbraw/zinc/28/96/62/588289662.db2.gz HIHPYBFNLYZZHS-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2nonc2c1 ZINC000846804048 588289663 /nfs/dbraw/zinc/28/96/63/588289663.db2.gz HIHPYBFNLYZZHS-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO CO[C@H](C)C[N@H+](Cc1cnsn1)C(C)C ZINC000846805657 588289700 /nfs/dbraw/zinc/28/97/00/588289700.db2.gz FNBFCVZZGJFXQA-SECBINFHSA-N 1 2 229.349 1.783 20 0 BDADLO CO[C@H](C)C[N@@H+](Cc1cnsn1)C(C)C ZINC000846805657 588289701 /nfs/dbraw/zinc/28/97/01/588289701.db2.gz FNBFCVZZGJFXQA-SECBINFHSA-N 1 2 229.349 1.783 20 0 BDADLO c1nsnc1C[N@@H+]1CCCSCC1 ZINC000846837223 588291844 /nfs/dbraw/zinc/29/18/44/588291844.db2.gz LFGNAQGRLYCPNL-UHFFFAOYSA-N 1 2 215.347 1.477 20 0 BDADLO c1nsnc1C[N@H+]1CCCSCC1 ZINC000846837223 588291845 /nfs/dbraw/zinc/29/18/45/588291845.db2.gz LFGNAQGRLYCPNL-UHFFFAOYSA-N 1 2 215.347 1.477 20 0 BDADLO CC(C)c1nn(C)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000846987311 588300357 /nfs/dbraw/zinc/30/03/57/588300357.db2.gz NJERUMIBJFQZFG-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BDADLO OC1([C@@H]2CCCC[N@@H+]2Cc2cnsn2)CC1 ZINC000846991756 588300632 /nfs/dbraw/zinc/30/06/32/588300632.db2.gz IXZVLZJRXQFWHF-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO OC1([C@@H]2CCCC[N@H+]2Cc2cnsn2)CC1 ZINC000846991756 588300633 /nfs/dbraw/zinc/30/06/33/588300633.db2.gz IXZVLZJRXQFWHF-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO C[C@H](CO)C1CC[NH+](Cc2cnsn2)CC1 ZINC000847013642 588301658 /nfs/dbraw/zinc/30/16/58/588301658.db2.gz NMKOXCMCSBTCQV-SECBINFHSA-N 1 2 241.360 1.379 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@H](O)CC ZINC000847064193 588305670 /nfs/dbraw/zinc/30/56/70/588305670.db2.gz ZQDBNSDPVHNEJT-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@H]1CCCO1 ZINC000847065140 588305826 /nfs/dbraw/zinc/30/58/26/588305826.db2.gz RBDOZZRPAQSEIE-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CCC(CC)(CO)C(=O)NC1=[NH+]CCS1 ZINC000847298969 588310501 /nfs/dbraw/zinc/31/05/01/588310501.db2.gz URNXOIWPOPCVKC-UHFFFAOYSA-N 1 2 230.333 1.004 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@@H]2CCC=CO2)C1 ZINC000847844338 588336352 /nfs/dbraw/zinc/33/63/52/588336352.db2.gz VSLSCQGICWDPIV-NSHDSACASA-N 1 2 238.331 1.137 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000848063436 588352831 /nfs/dbraw/zinc/35/28/31/588352831.db2.gz OCTOAORUUXAXLC-FOGDFJRCSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000848063436 588352833 /nfs/dbraw/zinc/35/28/33/588352833.db2.gz OCTOAORUUXAXLC-FOGDFJRCSA-N 1 2 233.315 1.599 20 0 BDADLO COC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000848097203 588355961 /nfs/dbraw/zinc/35/59/61/588355961.db2.gz YORGMIMLGLYGHQ-UHFFFAOYSA-N 1 2 236.262 1.320 20 0 BDADLO CCCONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848238921 588366521 /nfs/dbraw/zinc/36/65/21/588366521.db2.gz WRWQZIAXKWREAG-QMMMGPOBSA-N 1 2 211.265 1.046 20 0 BDADLO CCCONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848238921 588366523 /nfs/dbraw/zinc/36/65/23/588366523.db2.gz WRWQZIAXKWREAG-QMMMGPOBSA-N 1 2 211.265 1.046 20 0 BDADLO CCc1cc(C[NH2+][C@@H]2CCCn3ccnc32)[nH]n1 ZINC000848531196 588393323 /nfs/dbraw/zinc/39/33/23/588393323.db2.gz OUUYKUWEKGOXLG-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CCN(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000849394985 588476584 /nfs/dbraw/zinc/47/65/84/588476584.db2.gz LAOXFVFAOPJOEY-VIFPVBQESA-N 1 2 222.292 1.379 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1COC(C)(C)C1 ZINC000849732782 588491280 /nfs/dbraw/zinc/49/12/80/588491280.db2.gz MFPAITSIOCZCHK-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1COC(C)(C)C1 ZINC000849732782 588491281 /nfs/dbraw/zinc/49/12/81/588491281.db2.gz MFPAITSIOCZCHK-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H](O)CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000849817396 588503363 /nfs/dbraw/zinc/50/33/63/588503363.db2.gz APMBNALCDLURRI-VHSXEESVSA-N 1 2 226.276 1.148 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCC1(C)C ZINC000850071044 588518033 /nfs/dbraw/zinc/51/80/33/588518033.db2.gz ZLMIZKJYTCXGKL-LLVKDONJSA-N 1 2 236.315 1.942 20 0 BDADLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cn1 ZINC000850352309 588537826 /nfs/dbraw/zinc/53/78/26/588537826.db2.gz RNZZLOQXOYLWPY-ZYHUDNBSSA-N 1 2 243.314 1.777 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000850372320 588541747 /nfs/dbraw/zinc/54/17/47/588541747.db2.gz SSTBGJQCJXYPJH-NWDGAFQWSA-N 1 2 229.283 1.678 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000850420659 588545559 /nfs/dbraw/zinc/54/55/59/588545559.db2.gz QJYIBTSOWQEUOE-ZWNOBZJWSA-N 1 2 246.314 1.027 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)CC(C)(C)C)[nH]1 ZINC000850517463 588556014 /nfs/dbraw/zinc/55/60/14/588556014.db2.gz UXGHOJGPPUDIPO-VIFPVBQESA-N 1 2 240.351 1.865 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CC[C@H]2C(C)C)[nH]1 ZINC000850514888 588556113 /nfs/dbraw/zinc/55/61/13/588556113.db2.gz RLDDLYBZTOJGKU-UWVGGRQHSA-N 1 2 238.335 1.475 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)O1 ZINC000851731946 588619328 /nfs/dbraw/zinc/61/93/28/588619328.db2.gz DQWKOVHZELIXJT-QWRGUYRKSA-N 1 2 249.314 1.295 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)O1 ZINC000851731946 588619329 /nfs/dbraw/zinc/61/93/29/588619329.db2.gz DQWKOVHZELIXJT-QWRGUYRKSA-N 1 2 249.314 1.295 20 0 BDADLO Cc1noc(C2CC[NH+](Cc3cnon3)CC2)n1 ZINC000851737050 588620402 /nfs/dbraw/zinc/62/04/02/588620402.db2.gz YGIUCVGUEJIBNF-UHFFFAOYSA-N 1 2 249.274 1.141 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+](Cc3cnon3)C2)n1 ZINC000851735520 588620426 /nfs/dbraw/zinc/62/04/26/588620426.db2.gz HEINMTXJSNAAQQ-VIFPVBQESA-N 1 2 249.274 1.141 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+](Cc3cnon3)C2)n1 ZINC000851735520 588620427 /nfs/dbraw/zinc/62/04/27/588620427.db2.gz HEINMTXJSNAAQQ-VIFPVBQESA-N 1 2 249.274 1.141 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC(F)F)C(C)(C)C ZINC000851855061 588635395 /nfs/dbraw/zinc/63/53/95/588635395.db2.gz YWVBZTFPIJEPAY-SSDOTTSWSA-N 1 2 239.262 1.403 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)OCc1ccccc1 ZINC000851863974 588636161 /nfs/dbraw/zinc/63/61/61/588636161.db2.gz WNQNBGGIEFPRLF-UHFFFAOYSA-N 1 2 231.299 1.984 20 0 BDADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)c1ccccn1 ZINC000851889926 588641089 /nfs/dbraw/zinc/64/10/89/588641089.db2.gz HGLODCPXZFFQQW-LBPRGKRZSA-N 1 2 222.263 1.674 20 0 BDADLO O[C@@H](C[N@H+]1CCC=C(F)C1)c1ccccn1 ZINC000851889926 588641090 /nfs/dbraw/zinc/64/10/90/588641090.db2.gz HGLODCPXZFFQQW-LBPRGKRZSA-N 1 2 222.263 1.674 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851894703 588641889 /nfs/dbraw/zinc/64/18/89/588641889.db2.gz PGEPQXMAFMNSJV-GFCCVEGCSA-N 1 2 233.271 1.283 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)n1 ZINC000851928378 588644751 /nfs/dbraw/zinc/64/47/51/588644751.db2.gz LNEWIYQXIQJWNX-VXNVDRBHSA-N 1 2 241.291 1.180 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCOC(F)F ZINC000851942031 588646417 /nfs/dbraw/zinc/64/64/17/588646417.db2.gz PYWRKQQYECJXCS-MRVPVSSYSA-N 1 2 237.246 1.253 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1CCOC(F)F ZINC000851942031 588646418 /nfs/dbraw/zinc/64/64/18/588646418.db2.gz PYWRKQQYECJXCS-MRVPVSSYSA-N 1 2 237.246 1.253 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2cnon2)C1 ZINC000851956485 588648017 /nfs/dbraw/zinc/64/80/17/588648017.db2.gz FTVQVFACUOZMLL-NSHDSACASA-N 1 2 225.292 1.054 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2cnon2)C1 ZINC000851956485 588648018 /nfs/dbraw/zinc/64/80/18/588648018.db2.gz FTVQVFACUOZMLL-NSHDSACASA-N 1 2 225.292 1.054 20 0 BDADLO CO[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000851975491 588650554 /nfs/dbraw/zinc/65/05/54/588650554.db2.gz IKSQECGGFMRCSU-IVZWLZJFSA-N 1 2 235.274 1.256 20 0 BDADLO CO[C@@H]1CC[C@H]([N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000851975491 588650555 /nfs/dbraw/zinc/65/05/55/588650555.db2.gz IKSQECGGFMRCSU-IVZWLZJFSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(F)F)C[C@H](C)[S@@]1=O ZINC000851980780 588650880 /nfs/dbraw/zinc/65/08/80/588650880.db2.gz WUGXCCOKUAUASI-LVQIXWTDSA-N 1 2 241.303 1.067 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(F)F)C[C@H](C)[S@@]1=O ZINC000851980780 588650881 /nfs/dbraw/zinc/65/08/81/588650881.db2.gz WUGXCCOKUAUASI-LVQIXWTDSA-N 1 2 241.303 1.067 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cccc(F)n2)C1 ZINC000852020227 588655671 /nfs/dbraw/zinc/65/56/71/588655671.db2.gz ULEKCBSOOAFFGN-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852020227 588655672 /nfs/dbraw/zinc/65/56/72/588655672.db2.gz ULEKCBSOOAFFGN-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO c1coc(C2=CCC[N@@H+](Cc3cnon3)C2)c1 ZINC000852037895 588656685 /nfs/dbraw/zinc/65/66/85/588656685.db2.gz CTZKXQMNBKCWCP-UHFFFAOYSA-N 1 2 231.255 1.952 20 0 BDADLO c1coc(C2=CCC[N@H+](Cc3cnon3)C2)c1 ZINC000852037895 588656686 /nfs/dbraw/zinc/65/66/86/588656686.db2.gz CTZKXQMNBKCWCP-UHFFFAOYSA-N 1 2 231.255 1.952 20 0 BDADLO CCn1ncc(C[NH+]2CCC(C(C)=O)CC2)n1 ZINC000852125192 588665718 /nfs/dbraw/zinc/66/57/18/588665718.db2.gz FTMDVDPAEROSLP-UHFFFAOYSA-N 1 2 236.319 1.099 20 0 BDADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cnon1 ZINC000852155276 588667903 /nfs/dbraw/zinc/66/79/03/588667903.db2.gz COBARSKQGUMFER-UHFFFAOYSA-N 1 2 249.318 1.461 20 0 BDADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cnon1 ZINC000852155276 588667904 /nfs/dbraw/zinc/66/79/04/588667904.db2.gz COBARSKQGUMFER-UHFFFAOYSA-N 1 2 249.318 1.461 20 0 BDADLO Cc1cc(N2CCC(C3OCCO3)CC2)nc[nH+]1 ZINC000110473922 588671423 /nfs/dbraw/zinc/67/14/23/588671423.db2.gz VEOVBMJHVUVOFM-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO C[N@H+](CCC(=O)C(C)(C)C)Cc1cnc[nH]1 ZINC000852289283 588676236 /nfs/dbraw/zinc/67/62/36/588676236.db2.gz ZZEFSFAPNXACHJ-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C[N@@H+](CCC(=O)C(C)(C)C)Cc1cnc[nH]1 ZINC000852289283 588676237 /nfs/dbraw/zinc/67/62/37/588676237.db2.gz ZZEFSFAPNXACHJ-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C[N@H+](CCC(=O)C(C)(C)C)Cc1c[nH]cn1 ZINC000852289283 588676238 /nfs/dbraw/zinc/67/62/38/588676238.db2.gz ZZEFSFAPNXACHJ-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C[N@@H+](CCC(=O)C(C)(C)C)Cc1c[nH]cn1 ZINC000852289283 588676239 /nfs/dbraw/zinc/67/62/39/588676239.db2.gz ZZEFSFAPNXACHJ-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NOC/C=C\Cl ZINC000852348774 588679366 /nfs/dbraw/zinc/67/93/66/588679366.db2.gz RIHRWSCYFUFDOH-IHWYPQMZSA-N 1 2 244.682 1.235 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NOC/C=C\Cl ZINC000852348774 588679367 /nfs/dbraw/zinc/67/93/67/588679367.db2.gz RIHRWSCYFUFDOH-IHWYPQMZSA-N 1 2 244.682 1.235 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2C/C=C/Cl ZINC000852440716 588682772 /nfs/dbraw/zinc/68/27/72/588682772.db2.gz DQASFQDMCBFAKV-NSCUHMNNSA-N 1 2 215.680 1.376 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2C/C=C/Cl ZINC000852440716 588682773 /nfs/dbraw/zinc/68/27/73/588682773.db2.gz DQASFQDMCBFAKV-NSCUHMNNSA-N 1 2 215.680 1.376 20 0 BDADLO COCC[N@H+](CCF)Cc1ccnn1C(C)C ZINC000852479641 588683117 /nfs/dbraw/zinc/68/31/17/588683117.db2.gz HVEKDYFWMBXVIQ-UHFFFAOYSA-N 1 2 243.326 1.882 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccnn1C(C)C ZINC000852479641 588683118 /nfs/dbraw/zinc/68/31/18/588683118.db2.gz HVEKDYFWMBXVIQ-UHFFFAOYSA-N 1 2 243.326 1.882 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC(F)F)o1 ZINC000852471110 588683149 /nfs/dbraw/zinc/68/31/49/588683149.db2.gz RTAXJBCZTSCTEJ-UHFFFAOYSA-N 1 2 221.207 1.049 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC(F)F)o1 ZINC000852471110 588683150 /nfs/dbraw/zinc/68/31/50/588683150.db2.gz RTAXJBCZTSCTEJ-UHFFFAOYSA-N 1 2 221.207 1.049 20 0 BDADLO CCn1cc(C[N@H+](CCF)CCOC)cn1 ZINC000852479257 588683172 /nfs/dbraw/zinc/68/31/72/588683172.db2.gz FBLLGIWEKLYZAP-UHFFFAOYSA-N 1 2 229.299 1.321 20 0 BDADLO CCn1cc(C[N@@H+](CCF)CCOC)cn1 ZINC000852479257 588683173 /nfs/dbraw/zinc/68/31/73/588683173.db2.gz FBLLGIWEKLYZAP-UHFFFAOYSA-N 1 2 229.299 1.321 20 0 BDADLO O=C1CCCC12CC[NH+](Cc1cnon1)CC2 ZINC000852631559 588693014 /nfs/dbraw/zinc/69/30/14/588693014.db2.gz WELBPXPONJNQCT-UHFFFAOYSA-N 1 2 235.287 1.405 20 0 BDADLO Clc1cnc(C[N@@H+]2CCC3(COC3)C2)cn1 ZINC000852683135 588695448 /nfs/dbraw/zinc/69/54/48/588695448.db2.gz FLAPAAFZUGFDQJ-UHFFFAOYSA-N 1 2 239.706 1.352 20 0 BDADLO Clc1cnc(C[N@H+]2CCC3(COC3)C2)cn1 ZINC000852683135 588695449 /nfs/dbraw/zinc/69/54/49/588695449.db2.gz FLAPAAFZUGFDQJ-UHFFFAOYSA-N 1 2 239.706 1.352 20 0 BDADLO C[C@@H]1[C@H](C)N(CCF)CC[N@H+]1CCF ZINC000852739607 588698717 /nfs/dbraw/zinc/69/87/17/588698717.db2.gz CBGFDBIJFHXPIJ-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1[C@H](C)N(CCF)CC[N@@H+]1CCF ZINC000852739607 588698718 /nfs/dbraw/zinc/69/87/18/588698718.db2.gz CBGFDBIJFHXPIJ-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](CCF)CCN1CCF ZINC000852739607 588698719 /nfs/dbraw/zinc/69/87/19/588698719.db2.gz CBGFDBIJFHXPIJ-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](CCF)CCN1CCF ZINC000852739607 588698720 /nfs/dbraw/zinc/69/87/20/588698720.db2.gz CBGFDBIJFHXPIJ-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1nncs1 ZINC000861369630 589161800 /nfs/dbraw/zinc/16/18/00/589161800.db2.gz GEXBDVHYPFKLMS-MRVPVSSYSA-N 1 2 241.316 1.066 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1nncs1 ZINC000861369630 589161801 /nfs/dbraw/zinc/16/18/01/589161801.db2.gz GEXBDVHYPFKLMS-MRVPVSSYSA-N 1 2 241.316 1.066 20 0 BDADLO Cc1ncsc1C(=O)OCC[NH+]1CCC1 ZINC000861387628 589163202 /nfs/dbraw/zinc/16/32/02/589163202.db2.gz MDAFNKDARFSFAP-UHFFFAOYSA-N 1 2 226.301 1.314 20 0 BDADLO C[C@H]1SCC[N@H+](CN2CCSC2=O)[C@H]1C ZINC000118382835 589169370 /nfs/dbraw/zinc/16/93/70/589169370.db2.gz NKAFEICHGCLTFE-DTWKUNHWSA-N 1 2 246.401 1.939 20 0 BDADLO C[C@H]1SCC[N@@H+](CN2CCSC2=O)[C@H]1C ZINC000118382835 589169372 /nfs/dbraw/zinc/16/93/72/589169372.db2.gz NKAFEICHGCLTFE-DTWKUNHWSA-N 1 2 246.401 1.939 20 0 BDADLO C=C=CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000861795004 589178477 /nfs/dbraw/zinc/17/84/77/589178477.db2.gz JTNGDCKYIMXZRG-NSHDSACASA-N 1 2 231.299 1.211 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@]23CCOC3=O)o1 ZINC000862332152 589201216 /nfs/dbraw/zinc/20/12/16/589201216.db2.gz FTTVYCKIUGKAKG-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@]23CCOC3=O)o1 ZINC000862332152 589201218 /nfs/dbraw/zinc/20/12/18/589201218.db2.gz FTTVYCKIUGKAKG-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C(F)F)C2)[nH+]1 ZINC000862356220 589202746 /nfs/dbraw/zinc/20/27/46/589202746.db2.gz XYLDHOMUHBMVPI-MRVPVSSYSA-N 1 2 231.246 1.184 20 0 BDADLO COCC[N@H+](CCF)Cc1cnc(C)o1 ZINC000862411575 589211009 /nfs/dbraw/zinc/21/10/09/589211009.db2.gz GFCZJDAERLYHIQ-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnc(C)o1 ZINC000862411575 589211010 /nfs/dbraw/zinc/21/10/10/589211010.db2.gz GFCZJDAERLYHIQ-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO FC(F)(F)c1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)[nH]n1 ZINC000862442485 589213247 /nfs/dbraw/zinc/21/32/47/589213247.db2.gz COGIFTSZYXNDJP-KNVOCYPGSA-N 1 2 231.221 1.880 20 0 BDADLO FC(F)(F)c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)[nH]n1 ZINC000862442485 589213249 /nfs/dbraw/zinc/21/32/49/589213249.db2.gz COGIFTSZYXNDJP-KNVOCYPGSA-N 1 2 231.221 1.880 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000862502872 589217804 /nfs/dbraw/zinc/21/78/04/589217804.db2.gz ZDMFTKLHRZKYFN-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000862502872 589217805 /nfs/dbraw/zinc/21/78/05/589217805.db2.gz ZDMFTKLHRZKYFN-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO CCCCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862973424 589249821 /nfs/dbraw/zinc/24/98/21/589249821.db2.gz NUJHQNPZGZQAFO-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862973424 589249822 /nfs/dbraw/zinc/24/98/22/589249822.db2.gz NUJHQNPZGZQAFO-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO COc1cccc([C@H]([NH3+])c2nc(N(C)C)no2)c1 ZINC000863664815 589308791 /nfs/dbraw/zinc/30/87/91/589308791.db2.gz BPTQFTBMZWLVIC-JTQLQIEISA-N 1 2 248.286 1.192 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nnc(C)s2)C1 ZINC000864053700 589335757 /nfs/dbraw/zinc/33/57/57/589335757.db2.gz MSGVVAHOJJQCFO-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(C)s2)C1 ZINC000864053700 589335758 /nfs/dbraw/zinc/33/57/58/589335758.db2.gz MSGVVAHOJJQCFO-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cccc([C@@H](C)O)[nH+]2)C1 ZINC000864090643 589343485 /nfs/dbraw/zinc/34/34/85/589343485.db2.gz HUSIFOXSBSRPRZ-MXWKQRLJSA-N 1 2 236.315 1.972 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2C[C@H](O)C23CCC3)[nH+]c1 ZINC000864093167 589344261 /nfs/dbraw/zinc/34/42/61/589344261.db2.gz JAZZUHFQHAYINE-WCQGTBRESA-N 1 2 248.326 1.850 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865041596 589406370 /nfs/dbraw/zinc/40/63/70/589406370.db2.gz BXJSWRFQLVUJHG-ONGXEEELSA-N 1 2 237.303 1.092 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000865141088 589410646 /nfs/dbraw/zinc/41/06/46/589410646.db2.gz OUSJDTBICFGDGG-KXUCPTDWSA-N 1 2 246.301 1.488 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865141088 589410647 /nfs/dbraw/zinc/41/06/47/589410647.db2.gz OUSJDTBICFGDGG-KXUCPTDWSA-N 1 2 246.301 1.488 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C1CCC1 ZINC000865149106 589411678 /nfs/dbraw/zinc/41/16/78/589411678.db2.gz BMWPRDYSFGYNIZ-NEPJUHHUSA-N 1 2 249.314 1.234 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1C1CCC1 ZINC000865149108 589411755 /nfs/dbraw/zinc/41/17/55/589411755.db2.gz BMWPRDYSFGYNIZ-RYUDHWBXSA-N 1 2 249.314 1.234 20 0 BDADLO O=c1ccnc(C=Cc2cn(C3CC3)c[nH+]2)[nH]1 ZINC000865220768 589414606 /nfs/dbraw/zinc/41/46/06/589414606.db2.gz PUDFRIWVQYIEFK-DAFODLJHSA-N 1 2 228.255 1.884 20 0 BDADLO CC(C)Cc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000865409831 589434034 /nfs/dbraw/zinc/43/40/34/589434034.db2.gz WORLZJQNJQDEAI-UHFFFAOYSA-N 1 2 245.330 1.984 20 0 BDADLO CCCCc1cc(NCc2nncn2C)nc[nH+]1 ZINC000865433127 589435532 /nfs/dbraw/zinc/43/55/32/589435532.db2.gz FSWVWEPHAPTBSX-UHFFFAOYSA-N 1 2 246.318 1.560 20 0 BDADLO C[C@H](O)c1ccc(NC[C@@H](O)c2ccco2)[nH+]c1 ZINC000865439621 589435887 /nfs/dbraw/zinc/43/58/87/589435887.db2.gz YASOMTYCFHJXGG-GXSJLCMTSA-N 1 2 248.282 1.873 20 0 BDADLO CC(=O)c1cccc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000865440977 589436006 /nfs/dbraw/zinc/43/60/06/589436006.db2.gz NNTPWAUQBIKISC-JTQLQIEISA-N 1 2 244.298 1.981 20 0 BDADLO CC(C)Cc1cc(NCCn2cccn2)nc[nH+]1 ZINC000865459145 589437434 /nfs/dbraw/zinc/43/74/34/589437434.db2.gz YXTVSTNEPNKBGG-UHFFFAOYSA-N 1 2 245.330 1.984 20 0 BDADLO c1cc(C[NH2+]Cc2ccon2)n(CC2CCC2)n1 ZINC000865481916 589440326 /nfs/dbraw/zinc/44/03/26/589440326.db2.gz YQBZARVIPSLXII-UHFFFAOYSA-N 1 2 246.314 1.961 20 0 BDADLO CC(C)Cc1cc(N[C@H](C)CC(N)=O)nc[nH+]1 ZINC000865553265 589445680 /nfs/dbraw/zinc/44/56/80/589445680.db2.gz UFKGNDJMWJZVCQ-SECBINFHSA-N 1 2 236.319 1.351 20 0 BDADLO COc1cncc(C[NH2+]C(CF)CF)c1C ZINC000865583288 589447648 /nfs/dbraw/zinc/44/76/48/589447648.db2.gz QTSUPYVJNYRVHS-UHFFFAOYSA-N 1 2 230.258 1.796 20 0 BDADLO CC/C=C(/F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000865676640 589455003 /nfs/dbraw/zinc/45/50/03/589455003.db2.gz LVWMBKRUDQTIJM-FPYGCLRLSA-N 1 2 211.240 1.332 20 0 BDADLO CCOC1CC2(C[C@H]2C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000865719575 589458231 /nfs/dbraw/zinc/45/82/31/589458231.db2.gz VPAFHXPJKUYMTL-QUNCOHTASA-N 1 2 249.314 1.231 20 0 BDADLO C[C@@H](O)c1ccc(N2CC[C@](F)(CO)C2)[nH+]c1 ZINC000865766427 589461429 /nfs/dbraw/zinc/46/14/29/589461429.db2.gz BXQOSICYWPDWMM-BXKDBHETSA-N 1 2 240.278 1.046 20 0 BDADLO C[C@@H](O)c1ccc(N2CC[C@@](F)(CO)C2)[nH+]c1 ZINC000865766430 589461443 /nfs/dbraw/zinc/46/14/43/589461443.db2.gz BXQOSICYWPDWMM-SKDRFNHKSA-N 1 2 240.278 1.046 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@@](F)(CO)C2)[nH+]c1 ZINC000865766428 589461527 /nfs/dbraw/zinc/46/15/27/589461527.db2.gz BXQOSICYWPDWMM-CABZTGNLSA-N 1 2 240.278 1.046 20 0 BDADLO CCCCc1cc(NCc2cnn(C)n2)nc[nH+]1 ZINC000865805199 589462456 /nfs/dbraw/zinc/46/24/56/589462456.db2.gz UKGMIBDXDBVDGJ-UHFFFAOYSA-N 1 2 246.318 1.560 20 0 BDADLO Cc1c[nH]c(CNc2ccn(CCF)n2)[nH+]1 ZINC000865836238 589464260 /nfs/dbraw/zinc/46/42/60/589464260.db2.gz XNDQSYGJWUOXFT-UHFFFAOYSA-N 1 2 223.255 1.496 20 0 BDADLO CCCNc1cc(N[C@@H]2CC[C@H]2O)nc[nH+]1 ZINC000865889100 589467400 /nfs/dbraw/zinc/46/74/00/589467400.db2.gz FAEWHCVZVWEFQW-RKDXNWHRSA-N 1 2 222.292 1.234 20 0 BDADLO CCCNc1cc(N[C@@H]2CC[C@H]2O)[nH+]cn1 ZINC000865889100 589467401 /nfs/dbraw/zinc/46/74/01/589467401.db2.gz FAEWHCVZVWEFQW-RKDXNWHRSA-N 1 2 222.292 1.234 20 0 BDADLO CCCNc1cc(N(C)[C@H](C)CCO)nc[nH+]1 ZINC000865912106 589468324 /nfs/dbraw/zinc/46/83/24/589468324.db2.gz KKQJMOMSLYLCAG-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCCNc1cc(N(C)[C@H](C)CCO)[nH+]cn1 ZINC000865912106 589468325 /nfs/dbraw/zinc/46/83/25/589468325.db2.gz KKQJMOMSLYLCAG-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@@H](C)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000120800552 589468839 /nfs/dbraw/zinc/46/88/39/589468839.db2.gz RLSVZYPMHUFTCA-NXEZZACHSA-N 1 2 231.361 1.765 20 0 BDADLO CC(C)c1nc(NCc2n[nH]c(=O)n2C)cc[nH+]1 ZINC000865928657 589469048 /nfs/dbraw/zinc/46/90/48/589469048.db2.gz JAJDFTYRVVLKHY-UHFFFAOYSA-N 1 2 248.290 1.046 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]c1 ZINC000865944003 589469779 /nfs/dbraw/zinc/46/97/79/589469779.db2.gz IRYDKUVQUAFFCW-XHVZSJERSA-N 1 2 234.299 1.096 20 0 BDADLO CCCNc1cc(N2CCC3(COC3)C2)nc[nH+]1 ZINC000865952049 589470007 /nfs/dbraw/zinc/47/00/07/589470007.db2.gz AHTSVDLMBYNPBG-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CCCNc1cc(N2CCC3(COC3)C2)[nH+]cn1 ZINC000865952049 589470008 /nfs/dbraw/zinc/47/00/08/589470008.db2.gz AHTSVDLMBYNPBG-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000865954362 589470141 /nfs/dbraw/zinc/47/01/41/589470141.db2.gz ARTSJUXMANQRNC-KYZUINATSA-N 1 2 222.292 1.234 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@H](O)C2)[nH+]cn1 ZINC000865954362 589470142 /nfs/dbraw/zinc/47/01/42/589470142.db2.gz ARTSJUXMANQRNC-KYZUINATSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H]2CCC[C@@H]2O)[nH+]c1 ZINC000866105472 589476293 /nfs/dbraw/zinc/47/62/93/589476293.db2.gz NTOYSDBHLPZLAH-MIMYLULJSA-N 1 2 222.288 1.460 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866232527 589481976 /nfs/dbraw/zinc/48/19/76/589481976.db2.gz NPBOWFVUZCRVAC-YWVKMMECSA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866267809 589483629 /nfs/dbraw/zinc/48/36/29/589483629.db2.gz HYKYWSGYEAJNFY-FXPVBKGRSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ncn(C)n1)c1ccccn1 ZINC000866310239 589485752 /nfs/dbraw/zinc/48/57/52/589485752.db2.gz FHZJDMJRDLRSAG-ZDUSSCGKSA-N 1 2 245.330 1.697 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCCc3ncccc32)n1 ZINC000866356504 589487893 /nfs/dbraw/zinc/48/78/93/589487893.db2.gz MGHPEIHEPOQUPP-CYBMUJFWSA-N 1 2 243.314 1.377 20 0 BDADLO OC/C=C\C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866388937 589489240 /nfs/dbraw/zinc/48/92/40/589489240.db2.gz OONYJGMREYKSJW-CWBMUHOVSA-N 1 2 237.274 1.596 20 0 BDADLO O=C(NCCn1cc[nH+]c1)OC1CCCCC1 ZINC000866410383 589491421 /nfs/dbraw/zinc/49/14/21/589491421.db2.gz IKXWHUYDBAFPIR-UHFFFAOYSA-N 1 2 237.303 1.942 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccnn2C)nn1C ZINC000866612808 589504713 /nfs/dbraw/zinc/50/47/13/589504713.db2.gz BSVJBESBEPMDCG-WDEREUQCSA-N 1 2 247.346 1.874 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(CC1CC1)C1CCC1 ZINC000867957617 589541547 /nfs/dbraw/zinc/54/15/47/589541547.db2.gz SBYZPIVVKBWLBV-GFCCVEGCSA-N 1 2 249.314 1.234 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000868264822 589553218 /nfs/dbraw/zinc/55/32/18/589553218.db2.gz WTMZVAZXIDNOQY-GRXJFFANSA-N 1 2 237.278 1.578 20 0 BDADLO CCONC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000122107762 589553904 /nfs/dbraw/zinc/55/39/04/589553904.db2.gz FGKCZBUOUDEHRP-UHFFFAOYSA-N 1 2 247.298 1.803 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000868413389 589557628 /nfs/dbraw/zinc/55/76/28/589557628.db2.gz SHIFDDURZFYXBW-NUGNTBJXSA-N 1 2 233.315 1.328 20 0 BDADLO CC/C=C(/F)C(=O)N1CCn2c[nH+]cc2C1 ZINC000868444740 589558646 /nfs/dbraw/zinc/55/86/46/589558646.db2.gz FBAMFFSVPVHDPP-XCVCLJGOSA-N 1 2 223.251 1.489 20 0 BDADLO C[C@@H](NC(=O)CCC1(O)CCC1)c1[nH]cc[nH+]1 ZINC000868505933 589561622 /nfs/dbraw/zinc/56/16/22/589561622.db2.gz FLXGPSFJPFUNMJ-SECBINFHSA-N 1 2 237.303 1.282 20 0 BDADLO CCC1(CC)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868570649 589564811 /nfs/dbraw/zinc/56/48/11/589564811.db2.gz GSHQHENRECKUPG-SNVBAGLBSA-N 1 2 237.303 1.092 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCCC12CC2 ZINC000868621435 589568808 /nfs/dbraw/zinc/56/88/08/589568808.db2.gz HWWFYEKUTICYHK-NSHDSACASA-N 1 2 248.330 1.552 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\COC ZINC000868678927 589572694 /nfs/dbraw/zinc/57/26/94/589572694.db2.gz OTBHIZRNDZBHPS-OMMCCPJFSA-N 1 2 237.303 1.283 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000868699245 589573809 /nfs/dbraw/zinc/57/38/09/589573809.db2.gz RJPLVUJMPBHVFX-MVWJERBFSA-N 1 2 247.342 1.606 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1C=CCC1 ZINC000868767194 589575748 /nfs/dbraw/zinc/57/57/48/589575748.db2.gz DEMCXPAJQKYOQS-VIFPVBQESA-N 1 2 220.276 1.270 20 0 BDADLO CONC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104456 589589018 /nfs/dbraw/zinc/58/90/18/589589018.db2.gz ILALRKFLTNMYQX-NSHDSACASA-N 1 2 235.287 1.034 20 0 BDADLO CONC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104456 589589019 /nfs/dbraw/zinc/58/90/19/589589019.db2.gz ILALRKFLTNMYQX-NSHDSACASA-N 1 2 235.287 1.034 20 0 BDADLO CN(C(=O)/C=C/C[NH+]1CCOCC1)C(C)(C)C ZINC000869115477 589589516 /nfs/dbraw/zinc/58/95/16/589589516.db2.gz RXMMXXGZYQTGLE-AATRIKPKSA-N 1 2 240.347 1.132 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1[nH+]ccn1C ZINC000869301647 589596914 /nfs/dbraw/zinc/59/69/14/589596914.db2.gz JFSJLEKJSSZXMC-PREPNJAASA-N 1 2 247.342 1.889 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1[nH+]ccn1C ZINC000869301646 589596931 /nfs/dbraw/zinc/59/69/31/589596931.db2.gz JFSJLEKJSSZXMC-KKJSVHSVSA-N 1 2 247.342 1.889 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCCn2cc[nH+]c2)[C@H](C)O1 ZINC000869656004 589620125 /nfs/dbraw/zinc/62/01/25/589620125.db2.gz RTLGKPAHSKWOPA-OUAUKWLOSA-N 1 2 238.287 1.240 20 0 BDADLO CCOCCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000122901902 589643217 /nfs/dbraw/zinc/64/32/17/589643217.db2.gz ZXFNLDKVZPHFMD-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO COC/C=C\C(=O)OCCCc1[nH+]ccn1C ZINC000870304365 589657294 /nfs/dbraw/zinc/65/72/94/589657294.db2.gz RZSRIQVDAYAUSH-XQRVVYSFSA-N 1 2 238.287 1.099 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CCCS1 ZINC000871031097 589716200 /nfs/dbraw/zinc/71/62/00/589716200.db2.gz WUKLJMYZJLJDRA-JTQLQIEISA-N 1 2 239.344 1.285 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CCCS1 ZINC000871037939 589717542 /nfs/dbraw/zinc/71/75/42/589717542.db2.gz MPXYZOFHRVGAMZ-VIFPVBQESA-N 1 2 239.344 1.354 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000871092016 589724187 /nfs/dbraw/zinc/72/41/87/589724187.db2.gz FUFGLVOKVGMBRX-MGCOHNPYSA-N 1 2 239.344 1.283 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(C)o1 ZINC000123487974 589731177 /nfs/dbraw/zinc/73/11/77/589731177.db2.gz CTBPTCLXLSDMCX-VIFPVBQESA-N 1 2 222.288 1.217 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)c(C)o1 ZINC000123487974 589731179 /nfs/dbraw/zinc/73/11/79/589731179.db2.gz CTBPTCLXLSDMCX-VIFPVBQESA-N 1 2 222.288 1.217 20 0 BDADLO CC[S@](=O)Cc1[nH+]ccn1CC(F)F ZINC000871608371 589775950 /nfs/dbraw/zinc/77/59/50/589775950.db2.gz CZCQFPZAAIMOMU-AWEZNQCLSA-N 1 2 222.260 1.417 20 0 BDADLO CCc1cc(NCC[S@@](=O)CC)nc[nH+]1 ZINC000123721845 589785860 /nfs/dbraw/zinc/78/58/60/589785860.db2.gz BQFWJNLWGHMIQO-OAHLLOKOSA-N 1 2 227.333 1.220 20 0 BDADLO FC(F)Cn1cc[nH+]c1Cn1cnc(Cl)n1 ZINC000871671760 589787745 /nfs/dbraw/zinc/78/77/45/589787745.db2.gz NYBGAJIHXNFUGU-UHFFFAOYSA-N 1 2 247.636 1.441 20 0 BDADLO NC(CN1CCOCC1)=[NH+]OCCCC1CC1 ZINC000871731109 589800564 /nfs/dbraw/zinc/80/05/64/589800564.db2.gz KLVGRVVQFMSBNG-UHFFFAOYSA-N 1 2 241.335 1.007 20 0 BDADLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000871742090 589802518 /nfs/dbraw/zinc/80/25/18/589802518.db2.gz JSTNFPAFEVIHLK-UWVGGRQHSA-N 1 2 244.335 1.725 20 0 BDADLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000871742091 589802766 /nfs/dbraw/zinc/80/27/66/589802766.db2.gz JSTNFPAFEVIHLK-VHSXEESVSA-N 1 2 244.335 1.725 20 0 BDADLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000871748674 589804386 /nfs/dbraw/zinc/80/43/86/589804386.db2.gz MXKZBHPKFPYVCH-IVZWLZJFSA-N 1 2 228.292 1.089 20 0 BDADLO Cc1nonc1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000872135240 589878321 /nfs/dbraw/zinc/87/83/21/589878321.db2.gz CTQPSCCDNYPGBQ-SECBINFHSA-N 1 2 233.275 1.268 20 0 BDADLO Cc1nonc1CN[C@@H]1CCCn2cc[nH+]c21 ZINC000872134252 589878327 /nfs/dbraw/zinc/87/83/27/589878327.db2.gz BBJKIDSAGMJFHK-SECBINFHSA-N 1 2 233.275 1.199 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872272780 589903642 /nfs/dbraw/zinc/90/36/42/589903642.db2.gz PIMSHFVNWHPZSF-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872272780 589903644 /nfs/dbraw/zinc/90/36/44/589903644.db2.gz PIMSHFVNWHPZSF-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1OCC2 ZINC000872280348 589905224 /nfs/dbraw/zinc/90/52/24/589905224.db2.gz KEXBRJSGWPUDCU-YPMHNXCESA-N 1 2 249.314 1.170 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1OCC2 ZINC000872280348 589905225 /nfs/dbraw/zinc/90/52/25/589905225.db2.gz KEXBRJSGWPUDCU-YPMHNXCESA-N 1 2 249.314 1.170 20 0 BDADLO O=C1N(C[N@H+]2CC[C@@H](F)C2)CCC12CCCC2 ZINC000872615981 589956700 /nfs/dbraw/zinc/95/67/00/589956700.db2.gz VRXJEXUTGZBAMZ-LLVKDONJSA-N 1 2 240.322 1.780 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@@H](F)C2)CCC12CCCC2 ZINC000872615981 589956702 /nfs/dbraw/zinc/95/67/02/589956702.db2.gz VRXJEXUTGZBAMZ-LLVKDONJSA-N 1 2 240.322 1.780 20 0 BDADLO Cc1cc(NCCC[C@@H]2CCOC2=O)nc[nH+]1 ZINC000872701616 589962888 /nfs/dbraw/zinc/96/28/88/589962888.db2.gz FEJCGMRNJWSGHX-SNVBAGLBSA-N 1 2 235.287 1.540 20 0 BDADLO CCOC(=O)[C@H](C)C1CN(c2cc(C)[nH+]cn2)C1 ZINC000872772142 589967277 /nfs/dbraw/zinc/96/72/77/589967277.db2.gz JLINITZFYDQZOX-SNVBAGLBSA-N 1 2 249.314 1.420 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2CC23CCC3)nc[nH+]1 ZINC000872774681 589967374 /nfs/dbraw/zinc/96/73/74/589967374.db2.gz HJJDFZCZOYLYSR-NXEZZACHSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2CC23CCC3)[nH+]cn1 ZINC000872774681 589967376 /nfs/dbraw/zinc/96/73/76/589967376.db2.gz HJJDFZCZOYLYSR-NXEZZACHSA-N 1 2 248.330 1.624 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1nonc1C ZINC000872777637 589969013 /nfs/dbraw/zinc/96/90/13/589969013.db2.gz JZDXCUYMLZHDOI-UHFFFAOYSA-N 1 2 235.247 1.097 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)[nH]n1 ZINC000873155936 589988592 /nfs/dbraw/zinc/98/85/92/589988592.db2.gz INDCSUJBGXOHAX-USWWRNFRSA-N 1 2 221.304 1.457 20 0 BDADLO CC(C)([NH2+]Cc1cnc(N)cn1)c1nccs1 ZINC000873206535 589993867 /nfs/dbraw/zinc/99/38/67/589993867.db2.gz HPGJGPQLUHBXAX-UHFFFAOYSA-N 1 2 249.343 1.540 20 0 BDADLO CC[C@H](OC(=O)c1ccc2[nH+]ccn2c1)C(C)=O ZINC000873360097 590030418 /nfs/dbraw/zinc/03/04/18/590030418.db2.gz OMUBKEUOAPMTJE-NSHDSACASA-N 1 2 246.266 1.859 20 0 BDADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(C)=O ZINC000873361232 590030770 /nfs/dbraw/zinc/03/07/70/590030770.db2.gz HQSDGFJXWROFGC-GHMZBOCLSA-N 1 2 227.304 1.382 20 0 BDADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(C)=O ZINC000873361232 590030773 /nfs/dbraw/zinc/03/07/73/590030773.db2.gz HQSDGFJXWROFGC-GHMZBOCLSA-N 1 2 227.304 1.382 20 0 BDADLO CC[C@H](OC(=O)[C@H](C(C)C)[NH+](C)C)C(C)=O ZINC000873391830 590036988 /nfs/dbraw/zinc/03/69/88/590036988.db2.gz RVMWQEJRVIDWJO-QWRGUYRKSA-N 1 2 229.320 1.483 20 0 BDADLO CCn1ccc(C(=O)OCCn2cc[nH+]c2)c1C ZINC000873487138 590049011 /nfs/dbraw/zinc/04/90/11/590049011.db2.gz CSFNDOYFRAPJHC-UHFFFAOYSA-N 1 2 247.298 1.870 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)no1 ZINC000873843489 590074470 /nfs/dbraw/zinc/07/44/70/590074470.db2.gz XQVXVVUPKQKPAT-HTQZYQBOSA-N 1 2 232.243 1.448 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)no1 ZINC000873843489 590074473 /nfs/dbraw/zinc/07/44/73/590074473.db2.gz XQVXVVUPKQKPAT-HTQZYQBOSA-N 1 2 232.243 1.448 20 0 BDADLO CCOc1ccc(OC(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000873849115 590074780 /nfs/dbraw/zinc/07/47/80/590074780.db2.gz DKSFDERWRXTBLH-SNVBAGLBSA-N 1 2 237.299 1.941 20 0 BDADLO C[C@H](O)c1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000124896703 590097938 /nfs/dbraw/zinc/09/79/38/590097938.db2.gz HSMKLMDEUKLNDJ-ZJUUUORDSA-N 1 2 222.288 1.360 20 0 BDADLO C[C@@H](O)c1ccc(N2CCOC[C@H]2C)[nH+]c1 ZINC000124914470 590099074 /nfs/dbraw/zinc/09/90/74/590099074.db2.gz MHWGEYRPLLGNRC-NXEZZACHSA-N 1 2 222.288 1.360 20 0 BDADLO CCOCCN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124948158 590103074 /nfs/dbraw/zinc/10/30/74/590103074.db2.gz NZURGAHBOALIQH-SNVBAGLBSA-N 1 2 224.304 1.608 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(C)CC(F)(F)C1 ZINC000874346186 590105814 /nfs/dbraw/zinc/10/58/14/590105814.db2.gz QAUBUKQVTUIHEL-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000874783825 590134822 /nfs/dbraw/zinc/13/48/22/590134822.db2.gz CVRHDWUCJZVXHH-PWSUYJOCSA-N 1 2 245.326 1.504 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C)CC(F)(F)C1 ZINC000874853308 590147705 /nfs/dbraw/zinc/14/77/05/590147705.db2.gz AEIYQKDBXIBVRR-UHFFFAOYSA-N 1 2 243.257 1.267 20 0 BDADLO C/C=C\C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874894419 590153470 /nfs/dbraw/zinc/15/34/70/590153470.db2.gz FQVQJRQFUBSRBS-XQJDBVBESA-N 1 2 248.301 1.875 20 0 BDADLO C/C=C/C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874894420 590153679 /nfs/dbraw/zinc/15/36/79/590153679.db2.gz FQVQJRQFUBSRBS-YWVDXFKGSA-N 1 2 248.301 1.875 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)N(C1CC1)C1CC1 ZINC000875628543 590167159 /nfs/dbraw/zinc/16/71/59/590167159.db2.gz XKJSWOPTDYMEPT-NSHDSACASA-N 1 2 246.314 1.664 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]1C1CC1 ZINC000876305522 590194181 /nfs/dbraw/zinc/19/41/81/590194181.db2.gz MPYCYUMZLHJHCT-LLVKDONJSA-N 1 2 234.303 1.114 20 0 BDADLO CCCn1cc(C[N@H+](C)C[C@@H]2CCCO2)nn1 ZINC000876566609 590216925 /nfs/dbraw/zinc/21/69/25/590216925.db2.gz NMVAXQIKXKYJOL-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@@H+](C)C[C@@H]2CCCO2)nn1 ZINC000876566609 590216926 /nfs/dbraw/zinc/21/69/26/590216926.db2.gz NMVAXQIKXKYJOL-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@@H+]2CCCO[C@@H](C)C2)nn1 ZINC000876684303 590230228 /nfs/dbraw/zinc/23/02/28/590230228.db2.gz LYLZZFTTYNHTNB-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCCO[C@@H](C)C2)nn1 ZINC000876684303 590230230 /nfs/dbraw/zinc/23/02/30/590230230.db2.gz LYLZZFTTYNHTNB-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cnc(C[NH2+]CC[S@@](=O)C(C)(C)C)o1 ZINC000877056263 590275590 /nfs/dbraw/zinc/27/55/90/590275590.db2.gz RVRLXTVCSLTEQQ-MRXNPFEDSA-N 1 2 244.360 1.620 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+]Cc2ncc(C)o2)o1 ZINC000877059579 590276296 /nfs/dbraw/zinc/27/62/96/590276296.db2.gz OSVNOPSPPVKHIB-JTQLQIEISA-N 1 2 236.271 1.708 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc[nH]1 ZINC000877124894 590289429 /nfs/dbraw/zinc/28/94/29/590289429.db2.gz SRJFTVGUUIMGRO-VIFPVBQESA-N 1 2 219.292 1.477 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000877468061 590334386 /nfs/dbraw/zinc/33/43/86/590334386.db2.gz XVPOUSNWYANCKY-NKWVEPMBSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(Cl)cs1 ZINC000877468061 590334389 /nfs/dbraw/zinc/33/43/89/590334389.db2.gz XVPOUSNWYANCKY-NKWVEPMBSA-N 1 2 232.736 1.752 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000877471096 590334672 /nfs/dbraw/zinc/33/46/72/590334672.db2.gz OLXWILMNJMLELD-VHSXEESVSA-N 1 2 211.305 1.860 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000877470217 590334964 /nfs/dbraw/zinc/33/49/64/590334964.db2.gz ZLBWXUHBAPEABM-GARJFASQSA-N 1 2 243.347 1.874 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000877469702 590334996 /nfs/dbraw/zinc/33/49/96/590334996.db2.gz SGUSDXBJNYJPAD-DCAQKATOSA-N 1 2 231.336 1.587 20 0 BDADLO CCCn1cc(C[NH+]2[C@@H](C)C[C@@H]2C)nn1 ZINC000877488110 590339061 /nfs/dbraw/zinc/33/90/61/590339061.db2.gz XTRVXAVLAKLFSP-UWVGGRQHSA-N 1 2 208.309 1.671 20 0 BDADLO CC1(C)C[N@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000877486639 590339222 /nfs/dbraw/zinc/33/92/22/590339222.db2.gz OYGDLRKERTXJMT-SSDOTTSWSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000877486639 590339224 /nfs/dbraw/zinc/33/92/24/590339224.db2.gz OYGDLRKERTXJMT-SSDOTTSWSA-N 1 2 246.763 1.999 20 0 BDADLO CCCn1cc(C[NH+]2CCC(F)(F)CC2)nn1 ZINC000877491644 590340082 /nfs/dbraw/zinc/34/00/82/590340082.db2.gz AZVCUVIOEVVQJP-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO COc1cccc(C)c1C[NH2+]Cc1nonc1C ZINC000877527976 590348572 /nfs/dbraw/zinc/34/85/72/590348572.db2.gz XWGPBXZLLDHQOI-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000877563286 590360471 /nfs/dbraw/zinc/36/04/71/590360471.db2.gz LBRQTRCKBPEDFQ-UHFFFAOYSA-N 1 2 238.678 1.716 20 0 BDADLO CCOC1C[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000877579885 590364571 /nfs/dbraw/zinc/36/45/71/590364571.db2.gz HMIQVHHDPZPRPT-ZETCQYMHSA-N 1 2 224.131 1.901 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000877614144 590373461 /nfs/dbraw/zinc/37/34/61/590373461.db2.gz VJWZPBLNXQDJGT-LLVKDONJSA-N 1 2 242.363 1.860 20 0 BDADLO CCn1nc(C)c(C[NH+]2CCC(C)(F)CC2)n1 ZINC000877700328 590394949 /nfs/dbraw/zinc/39/49/49/590394949.db2.gz NHRSMJLOAFLICX-UHFFFAOYSA-N 1 2 240.326 1.930 20 0 BDADLO CCn1cc(C[NH+]2CC(OC(C)(C)C)C2)cn1 ZINC000877770181 590421259 /nfs/dbraw/zinc/42/12/59/590421259.db2.gz QDLSZMLOGPRCPF-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO COC(=O)[C@H](Cc1cncs1)[NH2+]CC(C)C ZINC000877801961 590425204 /nfs/dbraw/zinc/42/52/04/590425204.db2.gz PZFIFFGLDODZNM-JTQLQIEISA-N 1 2 242.344 1.473 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)n1 ZINC000877812135 590426794 /nfs/dbraw/zinc/42/67/94/590426794.db2.gz HSONMTOEIUNJIK-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)n1 ZINC000877812135 590426799 /nfs/dbraw/zinc/42/67/99/590426799.db2.gz HSONMTOEIUNJIK-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO Cc1ccc2c(c1)C(=O)N[C@@H](c1c[nH+]cn1C)N2 ZINC000877861514 590433096 /nfs/dbraw/zinc/43/30/96/590433096.db2.gz LUVZOUAYUOJNJD-LBPRGKRZSA-N 1 2 242.282 1.583 20 0 BDADLO CC(C)C[N@H+](CC(=O)N=S(C)(C)=O)C(C)C ZINC000877966375 590460035 /nfs/dbraw/zinc/46/00/35/590460035.db2.gz IJENIXXEEIKUKU-UHFFFAOYSA-N 1 2 248.392 1.607 20 0 BDADLO CC(C)C[N@@H+](CC(=O)N=S(C)(C)=O)C(C)C ZINC000877966375 590460037 /nfs/dbraw/zinc/46/00/37/590460037.db2.gz IJENIXXEEIKUKU-UHFFFAOYSA-N 1 2 248.392 1.607 20 0 BDADLO Cc1conc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000877988706 590466966 /nfs/dbraw/zinc/46/69/66/590466966.db2.gz NBHMEDACTLHVHY-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO Cc1conc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000877988706 590466968 /nfs/dbraw/zinc/46/69/68/590466968.db2.gz NBHMEDACTLHVHY-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)CC(C)(C)O ZINC000878033516 590475769 /nfs/dbraw/zinc/47/57/69/590475769.db2.gz XZODTRGRTWETGF-VIFPVBQESA-N 1 2 239.306 1.485 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000878044700 590480350 /nfs/dbraw/zinc/48/03/50/590480350.db2.gz QZIKXHIKVRWHKH-SNVBAGLBSA-N 1 2 241.331 1.487 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878097600 590492381 /nfs/dbraw/zinc/49/23/81/590492381.db2.gz IWRKEHSRDCPDOX-WCFLWFBJSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878097600 590492382 /nfs/dbraw/zinc/49/23/82/590492382.db2.gz IWRKEHSRDCPDOX-WCFLWFBJSA-N 1 2 235.331 1.799 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@@H](O)CC(C)(C)O ZINC000878199499 590523536 /nfs/dbraw/zinc/52/35/36/590523536.db2.gz BKXFWYMJVQGZMI-VIFPVBQESA-N 1 2 239.306 1.484 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)CC(C)(C)O ZINC000878199499 590523537 /nfs/dbraw/zinc/52/35/37/590523537.db2.gz BKXFWYMJVQGZMI-VIFPVBQESA-N 1 2 239.306 1.484 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000878298931 590537448 /nfs/dbraw/zinc/53/74/48/590537448.db2.gz NWRYXGZTCQIILK-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO CCC(F)(F)C[N@H+]1CCOC[C@@H](C)C1 ZINC000878298931 590537451 /nfs/dbraw/zinc/53/74/51/590537451.db2.gz NWRYXGZTCQIILK-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000878316018 590541656 /nfs/dbraw/zinc/54/16/56/590541656.db2.gz DZSVATIWVVRPHH-ZJUUUORDSA-N 1 2 219.288 1.931 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000878316018 590541658 /nfs/dbraw/zinc/54/16/58/590541658.db2.gz DZSVATIWVVRPHH-ZJUUUORDSA-N 1 2 219.288 1.931 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000878316672 590542896 /nfs/dbraw/zinc/54/28/96/590542896.db2.gz LIAGQAQNWUAZED-OYNCUSHFSA-N 1 2 236.271 1.616 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000878316672 590542897 /nfs/dbraw/zinc/54/28/97/590542897.db2.gz LIAGQAQNWUAZED-OYNCUSHFSA-N 1 2 236.271 1.616 20 0 BDADLO C=C/C=C\CC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000878334216 590546995 /nfs/dbraw/zinc/54/69/95/590546995.db2.gz RHNZHHSCQPHCBD-QMAVJUDZSA-N 1 2 225.288 1.040 20 0 BDADLO Cc1conc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000878481235 590576010 /nfs/dbraw/zinc/57/60/10/590576010.db2.gz BXBHFHVIWJAZSS-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000878481235 590576012 /nfs/dbraw/zinc/57/60/12/590576012.db2.gz BXBHFHVIWJAZSS-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)c1ccccc1F ZINC000878482854 590577321 /nfs/dbraw/zinc/57/73/21/590577321.db2.gz ZTCWTNPMAVPBMA-YGRLFVJLSA-N 1 2 249.285 1.323 20 0 BDADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)c1ccccc1F ZINC000878482854 590577322 /nfs/dbraw/zinc/57/73/22/590577322.db2.gz ZTCWTNPMAVPBMA-YGRLFVJLSA-N 1 2 249.285 1.323 20 0 BDADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(C)=O ZINC000878602276 590595028 /nfs/dbraw/zinc/59/50/28/590595028.db2.gz ZQSTZMDNIFJWIN-NSHDSACASA-N 1 2 242.319 1.176 20 0 BDADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(C)=O ZINC000878602276 590595029 /nfs/dbraw/zinc/59/50/29/590595029.db2.gz ZQSTZMDNIFJWIN-NSHDSACASA-N 1 2 242.319 1.176 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nccn1CC(F)F ZINC000878613197 590596349 /nfs/dbraw/zinc/59/63/49/590596349.db2.gz IANXXNXMQZVIQO-SECBINFHSA-N 1 2 247.289 1.615 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nccn1CC(F)F ZINC000878613197 590596350 /nfs/dbraw/zinc/59/63/50/590596350.db2.gz IANXXNXMQZVIQO-SECBINFHSA-N 1 2 247.289 1.615 20 0 BDADLO C[C@@]1([NH2+]C[C@H]2CCC(C)(C)CO2)CCOC1=O ZINC000878632036 590598397 /nfs/dbraw/zinc/59/83/97/590598397.db2.gz MIMNKBXOYZWLCA-ZWNOBZJWSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878691150 590610506 /nfs/dbraw/zinc/61/05/06/590610506.db2.gz WXAJVSIVYYVABK-SECBINFHSA-N 1 2 246.376 1.504 20 0 BDADLO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878691150 590610507 /nfs/dbraw/zinc/61/05/07/590610507.db2.gz WXAJVSIVYYVABK-SECBINFHSA-N 1 2 246.376 1.504 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878884791 590640117 /nfs/dbraw/zinc/64/01/17/590640117.db2.gz LWEBPLJLIVPALX-WXHSDQCUSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878884791 590640123 /nfs/dbraw/zinc/64/01/23/590640123.db2.gz LWEBPLJLIVPALX-WXHSDQCUSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878884791 590640129 /nfs/dbraw/zinc/64/01/29/590640129.db2.gz LWEBPLJLIVPALX-WXHSDQCUSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878884791 590640134 /nfs/dbraw/zinc/64/01/34/590640134.db2.gz LWEBPLJLIVPALX-WXHSDQCUSA-N 1 2 235.331 1.799 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2csc(C)c2)CCO1 ZINC000878970638 590665217 /nfs/dbraw/zinc/66/52/17/590665217.db2.gz WELKGCJOFPIIFG-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2csc(C)c2)CCO1 ZINC000878970638 590665220 /nfs/dbraw/zinc/66/52/20/590665220.db2.gz WELKGCJOFPIIFG-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000879188258 590710111 /nfs/dbraw/zinc/71/01/11/590710111.db2.gz JBMQGMHTLYHKIZ-LLVKDONJSA-N 1 2 211.309 1.311 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000879188258 590710108 /nfs/dbraw/zinc/71/01/08/590710108.db2.gz JBMQGMHTLYHKIZ-LLVKDONJSA-N 1 2 211.309 1.311 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2CCF ZINC000879327726 590748383 /nfs/dbraw/zinc/74/83/83/590748383.db2.gz FYAJSBHLHFVEMB-UHFFFAOYSA-N 1 2 201.241 1.126 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2CCF ZINC000879327726 590748384 /nfs/dbraw/zinc/74/83/84/590748384.db2.gz FYAJSBHLHFVEMB-UHFFFAOYSA-N 1 2 201.241 1.126 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC([C@H](C)O)CC2)[nH]1 ZINC000879456041 590772312 /nfs/dbraw/zinc/77/23/12/590772312.db2.gz BBVAXQFBXQAZEY-IUCAKERBSA-N 1 2 238.335 1.267 20 0 BDADLO C[C@H](O)C1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000879456873 590774480 /nfs/dbraw/zinc/77/44/80/590774480.db2.gz LXUAGFSFNZFOHD-IUCAKERBSA-N 1 2 241.360 1.692 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879503081 590783300 /nfs/dbraw/zinc/78/33/00/590783300.db2.gz UKXSOTOWKXBGBO-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879503081 590783302 /nfs/dbraw/zinc/78/33/02/590783302.db2.gz UKXSOTOWKXBGBO-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879503082 590783416 /nfs/dbraw/zinc/78/34/16/590783416.db2.gz UKXSOTOWKXBGBO-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879503082 590783417 /nfs/dbraw/zinc/78/34/17/590783417.db2.gz UKXSOTOWKXBGBO-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879615821 590827712 /nfs/dbraw/zinc/82/77/12/590827712.db2.gz BNLUFMCHHGTERM-JTQLQIEISA-N 1 2 243.347 1.421 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879615821 590827713 /nfs/dbraw/zinc/82/77/13/590827713.db2.gz BNLUFMCHHGTERM-JTQLQIEISA-N 1 2 243.347 1.421 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2ccnn2C)nc1 ZINC000879685078 590846802 /nfs/dbraw/zinc/84/68/02/590846802.db2.gz CWAYOJCZNZODQE-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCCn1ncnc1C[NH2+][C@@H](C)c1ccnn1C ZINC000879687161 590848647 /nfs/dbraw/zinc/84/86/47/590848647.db2.gz OXIFSVRHHWOCBO-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cnsn1 ZINC000879787724 590869468 /nfs/dbraw/zinc/86/94/68/590869468.db2.gz LQSAGKNABPPOEF-SECBINFHSA-N 1 2 235.316 1.359 20 0 BDADLO C[S@@](=N)(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000879943275 590893899 /nfs/dbraw/zinc/89/38/99/590893899.db2.gz WEWBUEFMWSXIQU-ZBEGNZNMSA-N 1 2 243.376 1.304 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880007634 590908094 /nfs/dbraw/zinc/90/80/94/590908094.db2.gz HHXGGDBUEULAHH-SECBINFHSA-N 1 2 240.328 1.414 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880007634 590908097 /nfs/dbraw/zinc/90/80/97/590908097.db2.gz HHXGGDBUEULAHH-SECBINFHSA-N 1 2 240.328 1.414 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880007637 590908160 /nfs/dbraw/zinc/90/81/60/590908160.db2.gz HHXGGDBUEULAHH-VIFPVBQESA-N 1 2 240.328 1.414 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880007637 590908161 /nfs/dbraw/zinc/90/81/61/590908161.db2.gz HHXGGDBUEULAHH-VIFPVBQESA-N 1 2 240.328 1.414 20 0 BDADLO FCC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880049384 590914868 /nfs/dbraw/zinc/91/48/68/590914868.db2.gz OPALPURKTCFNBN-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO FCC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880049384 590914871 /nfs/dbraw/zinc/91/48/71/590914871.db2.gz OPALPURKTCFNBN-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO C[C@H]1C[N@H+](CCF)CC[C@@H](C(F)(F)F)O1 ZINC000880060765 590914983 /nfs/dbraw/zinc/91/49/83/590914983.db2.gz UCKDISQFTPXPSS-YUMQZZPRSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1C[N@@H+](CCF)CC[C@@H](C(F)(F)F)O1 ZINC000880060765 590914985 /nfs/dbraw/zinc/91/49/85/590914985.db2.gz UCKDISQFTPXPSS-YUMQZZPRSA-N 1 2 229.217 1.998 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CCn2cc[nH+]c21 ZINC000880159170 590947120 /nfs/dbraw/zinc/94/71/20/590947120.db2.gz RULMABROMBVFMO-SRVKXCTJSA-N 1 2 245.326 1.880 20 0 BDADLO O[C@H]1C[C@]([NH2+]Cc2cnon2)(c2ccccc2)C1 ZINC000880222270 590960005 /nfs/dbraw/zinc/96/00/05/590960005.db2.gz KVDWTAIJSYUMGC-BETUJISGSA-N 1 2 245.282 1.209 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880236678 590966648 /nfs/dbraw/zinc/96/66/48/590966648.db2.gz FIMQDQICLBQKIP-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880236678 590966652 /nfs/dbraw/zinc/96/66/52/590966652.db2.gz FIMQDQICLBQKIP-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880237141 590968400 /nfs/dbraw/zinc/96/84/00/590968400.db2.gz QTDWKCQKYFAGNB-LLVKDONJSA-N 1 2 240.326 1.870 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880237141 590968402 /nfs/dbraw/zinc/96/84/02/590968402.db2.gz QTDWKCQKYFAGNB-LLVKDONJSA-N 1 2 240.326 1.870 20 0 BDADLO CO[C@@H](C)c1noc(C[NH+]2CCC(F)CC2)n1 ZINC000880241710 590975451 /nfs/dbraw/zinc/97/54/51/590975451.db2.gz HHWDLYSYKKEEFM-QMMMGPOBSA-N 1 2 243.282 1.711 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2C[C@H]2C2CC2)c1 ZINC000880265766 590980959 /nfs/dbraw/zinc/98/09/59/590980959.db2.gz MJQPTWGXOXOOAC-AAEUAGOBSA-N 1 2 247.342 1.515 20 0 BDADLO COCc1noc(C[N@@H+]2CC[C@H](CF)C2)n1 ZINC000880299810 590995066 /nfs/dbraw/zinc/99/50/66/590995066.db2.gz XZVHSRXRUNMFQS-MRVPVSSYSA-N 1 2 229.255 1.007 20 0 BDADLO COCc1noc(C[N@H+]2CC[C@H](CF)C2)n1 ZINC000880299810 590995067 /nfs/dbraw/zinc/99/50/67/590995067.db2.gz XZVHSRXRUNMFQS-MRVPVSSYSA-N 1 2 229.255 1.007 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880299678 590996058 /nfs/dbraw/zinc/99/60/58/590996058.db2.gz XGUARSYZXSGPCV-SECBINFHSA-N 1 2 230.262 1.039 20 0 BDADLO FCCn1ncnc1C[N@H+]1CC[C@H](CF)C1 ZINC000880299678 590996061 /nfs/dbraw/zinc/99/60/61/590996061.db2.gz XGUARSYZXSGPCV-SECBINFHSA-N 1 2 230.262 1.039 20 0 BDADLO FC[C@@H]1CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000880301370 590998532 /nfs/dbraw/zinc/99/85/32/590998532.db2.gz PPXWWQOALGVXEP-VIFPVBQESA-N 1 2 247.264 1.940 20 0 BDADLO FC[C@@H]1CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000880301370 590998533 /nfs/dbraw/zinc/99/85/33/590998533.db2.gz PPXWWQOALGVXEP-VIFPVBQESA-N 1 2 247.264 1.940 20 0 BDADLO COC(=O)[C@@H]([NH2+]C/C=C\Cl)C1CCOCC1 ZINC000880334134 591006259 /nfs/dbraw/zinc/00/62/59/591006259.db2.gz DIKHRWSQDOSJIY-ODTOEKCJSA-N 1 2 247.722 1.297 20 0 BDADLO COC(=O)[C@H]([NH2+]C/C=C/Cl)C1CCOCC1 ZINC000880334133 591006313 /nfs/dbraw/zinc/00/63/13/591006313.db2.gz DIKHRWSQDOSJIY-JYBNPQIESA-N 1 2 247.722 1.297 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC000880420880 591028748 /nfs/dbraw/zinc/02/87/48/591028748.db2.gz RQCHSSWPGXQDER-BXKDBHETSA-N 1 2 220.272 1.119 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC000880420880 591028750 /nfs/dbraw/zinc/02/87/50/591028750.db2.gz RQCHSSWPGXQDER-BXKDBHETSA-N 1 2 220.272 1.119 20 0 BDADLO Cc1ccc2nc(C[N@@H+]3CC=C[C@H]3CO)cn2c1 ZINC000880486527 591059821 /nfs/dbraw/zinc/05/98/21/591059821.db2.gz SQTFREOHLHVBQF-ZDUSSCGKSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1ccc2nc(C[N@H+]3CC=C[C@H]3CO)cn2c1 ZINC000880486527 591059826 /nfs/dbraw/zinc/05/98/26/591059826.db2.gz SQTFREOHLHVBQF-ZDUSSCGKSA-N 1 2 243.310 1.375 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cccnc1Cl ZINC000880485837 591061442 /nfs/dbraw/zinc/06/14/42/591061442.db2.gz ICQHXINENCNSCU-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cccnc1Cl ZINC000880485837 591061447 /nfs/dbraw/zinc/06/14/47/591061447.db2.gz ICQHXINENCNSCU-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO Cc1cnc(C[N@@H+]2CC=C[C@H]2CO)s1 ZINC000880488448 591063234 /nfs/dbraw/zinc/06/32/34/591063234.db2.gz FRCUXJRQMMKFIZ-VIFPVBQESA-N 1 2 210.302 1.184 20 0 BDADLO Cc1cnc(C[N@H+]2CC=C[C@H]2CO)s1 ZINC000880488448 591063239 /nfs/dbraw/zinc/06/32/39/591063239.db2.gz FRCUXJRQMMKFIZ-VIFPVBQESA-N 1 2 210.302 1.184 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000881493501 591217548 /nfs/dbraw/zinc/21/75/48/591217548.db2.gz RRYQPVMNMOYDBM-RYUDHWBXSA-N 1 2 245.326 1.528 20 0 BDADLO CC1(C)C[C@]1(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000881543120 591236167 /nfs/dbraw/zinc/23/61/67/591236167.db2.gz HCSBBNVOQIJUST-CYBMUJFWSA-N 1 2 235.331 1.895 20 0 BDADLO CC1(C)C[C@]1(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000881543120 591236169 /nfs/dbraw/zinc/23/61/69/591236169.db2.gz HCSBBNVOQIJUST-CYBMUJFWSA-N 1 2 235.331 1.895 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CF)C1 ZINC000881600268 591252128 /nfs/dbraw/zinc/25/21/28/591252128.db2.gz HSNBDUGOJUZZHZ-JTQLQIEISA-N 1 2 239.294 1.171 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@@H]2CCCO2)c1C ZINC000881906938 591277264 /nfs/dbraw/zinc/27/72/64/591277264.db2.gz GFZWKPMFJSXGCT-NSHDSACASA-N 1 2 221.304 1.709 20 0 BDADLO CC(C)(C)[C@@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000882119583 591300540 /nfs/dbraw/zinc/30/05/40/591300540.db2.gz IGEZPSFRLGKURX-VIFPVBQESA-N 1 2 238.287 1.114 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)C[S@](C)=O)c1C ZINC000882177586 591311755 /nfs/dbraw/zinc/31/17/55/591311755.db2.gz HGQVGLGUKFGVNN-MLXNANBUSA-N 1 2 227.333 1.272 20 0 BDADLO Cc1[nH+]cnc(NCc2cc(C(N)=O)co2)c1C ZINC000882210786 591316365 /nfs/dbraw/zinc/31/63/65/591316365.db2.gz NVUUCEKQFMCRDU-UHFFFAOYSA-N 1 2 246.270 1.397 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2CC[C@H](O)C2)c1C ZINC000882243646 591320831 /nfs/dbraw/zinc/32/08/31/591320831.db2.gz AZIKJVQVEXSDIR-MNOVXSKESA-N 1 2 221.304 1.666 20 0 BDADLO Cc1nnc([C@H](C)Nc2nc[nH+]c(C)c2C)[nH]1 ZINC000882359472 591338002 /nfs/dbraw/zinc/33/80/02/591338002.db2.gz YONFMXOHLMNCMU-QMMMGPOBSA-N 1 2 232.291 1.693 20 0 BDADLO CCn1cc[nH+]c1CNc1ncc(C=O)cn1 ZINC000882412708 591344763 /nfs/dbraw/zinc/34/47/63/591344763.db2.gz RYQATEHIPFTBDT-UHFFFAOYSA-N 1 2 231.259 1.118 20 0 BDADLO O[C@]1(C(F)F)CCN(c2cc[nH+]cc2F)C1 ZINC000882416124 591345010 /nfs/dbraw/zinc/34/50/10/591345010.db2.gz OWAJXICDZYCAHB-SNVBAGLBSA-N 1 2 232.205 1.427 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)c2nccc(N)n2)c1C ZINC000882566386 591391717 /nfs/dbraw/zinc/39/17/17/591391717.db2.gz JQFVHEKQROKOIL-VIFPVBQESA-N 1 2 244.302 1.639 20 0 BDADLO Cc1nc(NCc2cc3n(n2)CCC3)cc[nH+]1 ZINC000882611051 591399012 /nfs/dbraw/zinc/39/90/12/591399012.db2.gz SIVQWDWWLODRFU-UHFFFAOYSA-N 1 2 229.287 1.540 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000882715523 591419706 /nfs/dbraw/zinc/41/97/06/591419706.db2.gz FXHRNNJYTDAPFB-RWMBFGLXSA-N 1 2 248.326 1.943 20 0 BDADLO Cc1nc(N2CCC[C@H](CF)C2)cc[nH+]1 ZINC000882801698 591443803 /nfs/dbraw/zinc/44/38/03/591443803.db2.gz ZFEPEXCCGROUQI-SNVBAGLBSA-N 1 2 209.268 1.971 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC(F)CC1 ZINC000882805579 591444490 /nfs/dbraw/zinc/44/44/90/591444490.db2.gz LQOZMXFNQDANIR-UHFFFAOYSA-N 1 2 235.266 1.302 20 0 BDADLO C[C@H](O)c1ccc(N(C)Cc2cnn(C)c2)[nH+]c1 ZINC000213252523 591457354 /nfs/dbraw/zinc/45/73/54/591457354.db2.gz NRXQWPDXJZHGEG-JTQLQIEISA-N 1 2 246.314 1.505 20 0 BDADLO C[C@@H](O)c1ccc(N2CCCO[C@@H](C)C2)[nH+]c1 ZINC000213277652 591459275 /nfs/dbraw/zinc/45/92/75/591459275.db2.gz BOCFHNBEIYTLGM-WDEREUQCSA-N 1 2 236.315 1.750 20 0 BDADLO COc1cc(CO[NH+]=C(N)CCO)ccc1C ZINC000882987728 591494589 /nfs/dbraw/zinc/49/45/89/591494589.db2.gz NWNCKNUSMVDMNL-UHFFFAOYSA-N 1 2 238.287 1.384 20 0 BDADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCF ZINC000130709675 591503906 /nfs/dbraw/zinc/50/39/06/591503906.db2.gz MYRYGWOJPLCKTJ-VIFPVBQESA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCF ZINC000130709675 591503907 /nfs/dbraw/zinc/50/39/07/591503907.db2.gz MYRYGWOJPLCKTJ-VIFPVBQESA-N 1 2 217.284 1.762 20 0 BDADLO Cc1[nH+]cccc1Cn1cc2c(n1)CC[C@@H](O)C2 ZINC000883008797 591509478 /nfs/dbraw/zinc/50/94/78/591509478.db2.gz NNVYRUFXNFTPLE-CYBMUJFWSA-N 1 2 243.310 1.484 20 0 BDADLO CCCc1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883010082 591510879 /nfs/dbraw/zinc/51/08/79/591510879.db2.gz DMEVDPBWDZHAOL-UHFFFAOYSA-N 1 2 222.288 1.630 20 0 BDADLO COc1cccc(CCCO[NH+]=C(N)CO)c1 ZINC000883012067 591512565 /nfs/dbraw/zinc/51/25/65/591512565.db2.gz RXLVIWJGVXTNER-UHFFFAOYSA-N 1 2 238.287 1.119 20 0 BDADLO CCCC[C@H](CC)CO[NH+]=C(N)CO ZINC000883012578 591513256 /nfs/dbraw/zinc/51/32/56/591513256.db2.gz KXXWOSUKVDRRRM-VIFPVBQESA-N 1 2 202.298 1.694 20 0 BDADLO C[C@H](CO[NH+]=C(N)CO)CC(C)(C)C ZINC000883013173 591514244 /nfs/dbraw/zinc/51/42/44/591514244.db2.gz HHUDPFHLPPJIIX-QMMMGPOBSA-N 1 2 202.298 1.549 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NC[C@H]1C=CCC1 ZINC000883035860 591523064 /nfs/dbraw/zinc/52/30/64/591523064.db2.gz RCPGEAXVJKZKEW-LBPRGKRZSA-N 1 2 248.330 1.539 20 0 BDADLO Cc1nnc([C@@H](C)O[NH+]=C(N)c2ccccc2)o1 ZINC000883048332 591528626 /nfs/dbraw/zinc/52/86/26/591528626.db2.gz MRZRBVUMMPBKJM-MRVPVSSYSA-N 1 2 246.270 1.986 20 0 BDADLO COc1cc(C)[nH+]c(Cn2cc([C@@H](C)O)nn2)c1 ZINC000214296770 591546023 /nfs/dbraw/zinc/54/60/23/591546023.db2.gz UVLIERBPINOQEP-SECBINFHSA-N 1 2 248.286 1.092 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)no1 ZINC000883140358 591550091 /nfs/dbraw/zinc/55/00/91/591550091.db2.gz RBMFKPVXYZLIPV-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO C=C/C=C/CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883143420 591550123 /nfs/dbraw/zinc/55/01/23/591550123.db2.gz KEQNQAMOWMGCSW-ZYOFXKKJSA-N 1 2 248.330 1.703 20 0 BDADLO CCCn1cc(CNc2cc(CO)cc[nH+]2)nn1 ZINC000883148182 591552751 /nfs/dbraw/zinc/55/27/51/591552751.db2.gz XYUSFKCDUJJIMR-UHFFFAOYSA-N 1 2 247.302 1.188 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000883158658 591556502 /nfs/dbraw/zinc/55/65/02/591556502.db2.gz NMVMWWJHWYIVOS-MNOVXSKESA-N 1 2 228.336 1.613 20 0 BDADLO Cc1cc(N[C@@H](C)Cn2cncn2)c[nH+]c1C ZINC000883343070 591623094 /nfs/dbraw/zinc/62/30/94/591623094.db2.gz YZUWIXVPMUCIRK-JTQLQIEISA-N 1 2 231.303 1.791 20 0 BDADLO C[C@H](NCc1cn(C2CC2)c[nH+]1)C(F)F ZINC000883408319 591651044 /nfs/dbraw/zinc/65/10/44/591651044.db2.gz TVDRDAYDFHNCAB-ZETCQYMHSA-N 1 2 215.247 1.961 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@H]1C=CCC1 ZINC000883674100 591716144 /nfs/dbraw/zinc/71/61/44/591716144.db2.gz CKHMUCPZKVKDGP-NSHDSACASA-N 1 2 248.330 1.668 20 0 BDADLO O=C(NC[C@H]1C=CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000883844237 591754170 /nfs/dbraw/zinc/75/41/70/591754170.db2.gz ATXNROKDCGREAL-WDEREUQCSA-N 1 2 246.314 1.073 20 0 BDADLO CC/C=C(\C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800106023 591823978 /nfs/dbraw/zinc/82/39/78/591823978.db2.gz AACLYEKRKASVJS-JVOXIWMLSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C(\C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800106023 591823979 /nfs/dbraw/zinc/82/39/79/591823979.db2.gz AACLYEKRKASVJS-JVOXIWMLSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C2CCC2)CCO1 ZINC000800123654 591826466 /nfs/dbraw/zinc/82/64/66/591826466.db2.gz NYXRRWVFCQISNY-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C2CCC2)CCO1 ZINC000800123654 591826467 /nfs/dbraw/zinc/82/64/67/591826467.db2.gz NYXRRWVFCQISNY-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO Clc1ccc(C[NH2+]Cc2cc[nH]n2)nc1 ZINC000133602318 591841820 /nfs/dbraw/zinc/84/18/20/591841820.db2.gz ULJMUPPLMZRQNH-UHFFFAOYSA-N 1 2 222.679 1.748 20 0 BDADLO CCc1nc(N2C[C@@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000884496655 591957184 /nfs/dbraw/zinc/95/71/84/591957184.db2.gz CJLGCYRGXLRUDZ-AOOOYVTPSA-N 1 2 219.288 1.122 20 0 BDADLO CCc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000884509730 591960822 /nfs/dbraw/zinc/96/08/22/591960822.db2.gz NTAVOGHGBHLOBJ-VIFPVBQESA-N 1 2 207.277 1.630 20 0 BDADLO CCc1nccc(N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000884511349 591961315 /nfs/dbraw/zinc/96/13/15/591961315.db2.gz DIYDGZLUKBTMEF-VIFPVBQESA-N 1 2 243.314 1.732 20 0 BDADLO CCc1nccc(N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000884511349 591961316 /nfs/dbraw/zinc/96/13/16/591961316.db2.gz DIYDGZLUKBTMEF-VIFPVBQESA-N 1 2 243.314 1.732 20 0 BDADLO CCc1nc(N2CC[C@H](SC)C2)cc[nH+]1 ZINC000884519766 591963704 /nfs/dbraw/zinc/96/37/04/591963704.db2.gz CAPHLHQTJPFFAN-VIFPVBQESA-N 1 2 223.345 1.981 20 0 BDADLO CCc1nc(NCc2nnc(C3CC3)[nH]2)cc[nH+]1 ZINC000884518815 591963847 /nfs/dbraw/zinc/96/38/47/591963847.db2.gz ALKIHHHDQOOECO-UHFFFAOYSA-N 1 2 244.302 1.647 20 0 BDADLO CCc1nc(N2CC[C@](O)(C(F)F)C2)cc[nH+]1 ZINC000884519983 591964039 /nfs/dbraw/zinc/96/40/39/591964039.db2.gz JJNOWWMFJHPITO-LLVKDONJSA-N 1 2 243.257 1.245 20 0 BDADLO CCc1nc(NCC[C@@H](C)CCO)cc[nH+]1 ZINC000884518504 591964175 /nfs/dbraw/zinc/96/41/75/591964175.db2.gz RDIISPXAHIAOSK-SNVBAGLBSA-N 1 2 223.320 1.860 20 0 BDADLO CCc1nc(N2CC[C@@H](OC)[C@@H](C)C2)cc[nH+]1 ZINC000884520857 591965230 /nfs/dbraw/zinc/96/52/30/591965230.db2.gz HLJYRQWVXULVAG-WDEREUQCSA-N 1 2 235.331 1.900 20 0 BDADLO CCc1nc(N[C@H](C)C(OC)OC)cc[nH+]1 ZINC000884526783 591966843 /nfs/dbraw/zinc/96/68/43/591966843.db2.gz CVPICDLGTXWFEM-MRVPVSSYSA-N 1 2 225.292 1.458 20 0 BDADLO CCc1nc(N2CCO[C@H](CF)C2)cc[nH+]1 ZINC000884529606 591967500 /nfs/dbraw/zinc/96/75/00/591967500.db2.gz RSCNRQMGCUCVCL-SECBINFHSA-N 1 2 225.267 1.214 20 0 BDADLO CCc1nc(NCc2ccn(CC)n2)cc[nH+]1 ZINC000884529041 591967763 /nfs/dbraw/zinc/96/77/63/591967763.db2.gz DUNVZKDPTOBOJT-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO CCc1nc(N[C@H]2C[C@@H](C(=O)OC)C2)cc[nH+]1 ZINC000884531086 591969170 /nfs/dbraw/zinc/96/91/70/591969170.db2.gz CFKWBNPVGHFWJS-DTORHVGOSA-N 1 2 235.287 1.403 20 0 BDADLO CCc1nc(N[C@H](CO)CCF)cc[nH+]1 ZINC000884546268 591972330 /nfs/dbraw/zinc/97/23/30/591972330.db2.gz FUEJBYOQZJIMCE-QMMMGPOBSA-N 1 2 213.256 1.171 20 0 BDADLO CCc1nc(NC[C@@H](CC)C(=O)OC)cc[nH+]1 ZINC000884543153 591973383 /nfs/dbraw/zinc/97/33/83/591973383.db2.gz WLRGVBASQUYHMT-SECBINFHSA-N 1 2 237.303 1.650 20 0 BDADLO CCc1nc(N[C@@H](C)c2n[nH]c(=O)n2C)cc[nH+]1 ZINC000884547130 591975206 /nfs/dbraw/zinc/97/52/06/591975206.db2.gz CGSHABLSQPEFIR-ZETCQYMHSA-N 1 2 248.290 1.046 20 0 BDADLO CCc1nc(NCC2(COC)CC2)cc[nH+]1 ZINC000884548105 591975361 /nfs/dbraw/zinc/97/53/61/591975361.db2.gz CSJGKRJPXNUDRP-UHFFFAOYSA-N 1 2 221.304 1.878 20 0 BDADLO CCc1nc(N2CCC[C@@H]2[C@H](C)O)cc[nH+]1 ZINC000884557095 591977935 /nfs/dbraw/zinc/97/79/35/591977935.db2.gz GUJYLTSUUZUOPE-VHSXEESVSA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(N(C)CC2=CCCOC2)cc[nH+]1 ZINC000884556193 591978338 /nfs/dbraw/zinc/97/83/38/591978338.db2.gz KTGVDNMJMMHCJT-UHFFFAOYSA-N 1 2 233.315 1.822 20 0 BDADLO CCc1nc(N2CCCc3n[nH]cc3C2)cc[nH+]1 ZINC000884562370 591980118 /nfs/dbraw/zinc/98/01/18/591980118.db2.gz YNCDQGWDSGWWKB-UHFFFAOYSA-N 1 2 243.314 1.715 20 0 BDADLO CCc1nc(N2C[C@@H](C)[C@@](C)(CO)C2)cc[nH+]1 ZINC000884560159 591980477 /nfs/dbraw/zinc/98/04/77/591980477.db2.gz OOUDISWBESERRH-ZWNOBZJWSA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N[C@H](C)CC(=O)OC)cc[nH+]1 ZINC000884574680 591984907 /nfs/dbraw/zinc/98/49/07/591984907.db2.gz QXGZSLZWNZUXAF-MRVPVSSYSA-N 1 2 223.276 1.403 20 0 BDADLO CCc1nc(N2CCC(C(C)=O)CC2)cc[nH+]1 ZINC000884579437 591986205 /nfs/dbraw/zinc/98/62/05/591986205.db2.gz ZSINEWCRSCXFCM-UHFFFAOYSA-N 1 2 233.315 1.844 20 0 BDADLO CCc1nc(NC[C@H]2C[C@H](O)C2)cc[nH+]1 ZINC000884578687 591986475 /nfs/dbraw/zinc/98/64/75/591986475.db2.gz HFKPKCXFIDJQOG-KYZUINATSA-N 1 2 207.277 1.222 20 0 BDADLO Fc1c[nH+]ccc1N1CCCn2nncc2C1 ZINC000884627205 591997277 /nfs/dbraw/zinc/99/72/77/591997277.db2.gz HUMGRHAIWYRCGM-UHFFFAOYSA-N 1 2 233.250 1.223 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)OCCn1cc[nH+]c1 ZINC000884640786 592001344 /nfs/dbraw/zinc/00/13/44/592001344.db2.gz QFRVONAHPSPEJT-RYUDHWBXSA-N 1 2 234.299 1.863 20 0 BDADLO C[C@@H]1C(=O)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000885040699 592037451 /nfs/dbraw/zinc/03/74/51/592037451.db2.gz YXACHKOHEUUBIU-LLVKDONJSA-N 1 2 249.314 1.243 20 0 BDADLO C[C@@H]1CCC(=O)CN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000885065706 592044164 /nfs/dbraw/zinc/04/41/64/592044164.db2.gz GOIVRDJGPOSUDJ-DFVUYQKZSA-N 1 2 247.298 1.013 20 0 BDADLO C[C@H]1CCC(=O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885074220 592046291 /nfs/dbraw/zinc/04/62/91/592046291.db2.gz SBNDUOZKDWXZDM-JMJZKYOTSA-N 1 2 247.298 1.093 20 0 BDADLO C[C@H]1CCC(=O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885074220 592046294 /nfs/dbraw/zinc/04/62/94/592046294.db2.gz SBNDUOZKDWXZDM-JMJZKYOTSA-N 1 2 247.298 1.093 20 0 BDADLO Cc1ncc(CC(=O)OCCc2c[nH+]cn2C)o1 ZINC000885338759 592069490 /nfs/dbraw/zinc/06/94/90/592069490.db2.gz NEXUKZQSPLKLDP-UHFFFAOYSA-N 1 2 249.270 1.045 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000885983941 592120768 /nfs/dbraw/zinc/12/07/68/592120768.db2.gz UGDVRGOUQXURBP-GHMZBOCLSA-N 1 2 241.331 1.485 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@]23C[C@H]2CCC3)c1 ZINC000885987546 592122144 /nfs/dbraw/zinc/12/21/44/592122144.db2.gz BKWXJTRNQPKOFZ-HCVFJLOESA-N 1 2 245.326 1.740 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@]12C[C@H]1CCC2 ZINC000886003102 592127805 /nfs/dbraw/zinc/12/78/05/592127805.db2.gz YJXMBPSBWVSQON-OCCSQVGLSA-N 1 2 247.342 1.970 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1CCC=CCC1 ZINC000886018180 592131804 /nfs/dbraw/zinc/13/18/04/592131804.db2.gz WJUSHBJEGGVJSH-UHFFFAOYSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2ncccc2F)c1C ZINC000886043689 592139159 /nfs/dbraw/zinc/13/91/59/592139159.db2.gz HXRAQUIXJRMDAB-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO Cc1n[nH]c(CNc2cc(CO)cc[nH+]2)c1C ZINC000886149040 592163524 /nfs/dbraw/zinc/16/35/24/592163524.db2.gz DWMPYKMOYVBENB-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO Cc1[nH]nc(CNc2cc(CO)cc[nH+]2)c1C ZINC000886149040 592163526 /nfs/dbraw/zinc/16/35/26/592163526.db2.gz DWMPYKMOYVBENB-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO Cc1coc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000886158032 592165296 /nfs/dbraw/zinc/16/52/96/592165296.db2.gz QCBCZLKARHYUPP-MWLCHTKSSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000886183351 592172048 /nfs/dbraw/zinc/17/20/48/592172048.db2.gz BPRVNPYVBAFWIT-UHFFFAOYSA-N 1 2 238.678 1.716 20 0 BDADLO CCn1c[nH+]cc1CNc1n[nH]c(C)c1C ZINC000886197862 592174499 /nfs/dbraw/zinc/17/44/99/592174499.db2.gz OSRQICLFWABBPR-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO Cc1ncc(C[N@@H+](C)C(C)(C)C(N)=O)s1 ZINC000886220174 592179492 /nfs/dbraw/zinc/17/94/92/592179492.db2.gz DHMJWVWFMRTZCF-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO Cc1ncc(C[N@H+](C)C(C)(C)C(N)=O)s1 ZINC000886220174 592179493 /nfs/dbraw/zinc/17/94/93/592179493.db2.gz DHMJWVWFMRTZCF-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000886236204 592182361 /nfs/dbraw/zinc/18/23/61/592182361.db2.gz BLGYDFCLWXXIHY-JBLDHEPKSA-N 1 2 249.301 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000886236204 592182363 /nfs/dbraw/zinc/18/23/63/592182363.db2.gz BLGYDFCLWXXIHY-JBLDHEPKSA-N 1 2 249.301 1.361 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000886242806 592183397 /nfs/dbraw/zinc/18/33/97/592183397.db2.gz DYKNGPZOQUCPIA-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000886242806 592183398 /nfs/dbraw/zinc/18/33/98/592183398.db2.gz DYKNGPZOQUCPIA-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ncco2)cn1 ZINC000886274405 592194636 /nfs/dbraw/zinc/19/46/36/592194636.db2.gz SLBNHTQFODJKTG-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO C[C@@](O)(C[N@@H+]1Cc2ccc(O)cc2C1)C(F)F ZINC000886296868 592202179 /nfs/dbraw/zinc/20/21/79/592202179.db2.gz CIPKGAUAJQATLV-GFCCVEGCSA-N 1 2 243.253 1.724 20 0 BDADLO C[C@@](O)(C[N@H+]1Cc2ccc(O)cc2C1)C(F)F ZINC000886296868 592202181 /nfs/dbraw/zinc/20/21/81/592202181.db2.gz CIPKGAUAJQATLV-GFCCVEGCSA-N 1 2 243.253 1.724 20 0 BDADLO C([C@@H]1C[C@]12CCOC2)[N@@H+]1OC2CCC1CC2 ZINC000886311861 592205162 /nfs/dbraw/zinc/20/51/62/592205162.db2.gz KEUBPJXZKGZOAX-WTIISPKJSA-N 1 2 223.316 1.971 20 0 BDADLO C([C@@H]1C[C@]12CCOC2)[N@H+]1OC2CCC1CC2 ZINC000886311861 592205164 /nfs/dbraw/zinc/20/51/64/592205164.db2.gz KEUBPJXZKGZOAX-WTIISPKJSA-N 1 2 223.316 1.971 20 0 BDADLO Cc1nccc(C[NH2+][C@H](C)c2nccnc2C)n1 ZINC000219102203 592209150 /nfs/dbraw/zinc/20/91/50/592209150.db2.gz PJQQWGPROFAHBY-SNVBAGLBSA-N 1 2 243.314 1.734 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCn3nncc3C2)s1 ZINC000886455171 592227116 /nfs/dbraw/zinc/22/71/16/592227116.db2.gz CXVUTCDOBKCLGD-UHFFFAOYSA-N 1 2 249.343 1.449 20 0 BDADLO Cc1ncc(C[N@H+]2CCCn3nncc3C2)s1 ZINC000886455171 592227119 /nfs/dbraw/zinc/22/71/19/592227119.db2.gz CXVUTCDOBKCLGD-UHFFFAOYSA-N 1 2 249.343 1.449 20 0 BDADLO Cc1cnc(NC(=O)C[NH+]2CCCC2)s1 ZINC000219711557 592239303 /nfs/dbraw/zinc/23/93/03/592239303.db2.gz SNJVTTCAPMLJPS-UHFFFAOYSA-N 1 2 225.317 1.486 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890271077 592266902 /nfs/dbraw/zinc/26/69/02/592266902.db2.gz WYHCYWLAPRFFBR-AOOOYVTPSA-N 1 2 219.288 1.211 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C(C)(F)F)C2 ZINC000886611521 592273762 /nfs/dbraw/zinc/27/37/62/592273762.db2.gz FIOMYXLKMWQGMG-UHFFFAOYSA-N 1 2 243.257 1.443 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1C[C@@H]1C)C2 ZINC000886628912 592281629 /nfs/dbraw/zinc/28/16/29/592281629.db2.gz JJNZODVPCMQFJF-VHSXEESVSA-N 1 2 233.315 1.444 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886650228 592289192 /nfs/dbraw/zinc/28/91/92/592289192.db2.gz RYYFAMMZAUMZDW-GFCCVEGCSA-N 1 2 249.318 1.598 20 0 BDADLO CCc1onc(C)c1CNC(=O)Cn1cc[nH+]c1 ZINC000886669005 592298143 /nfs/dbraw/zinc/29/81/43/592298143.db2.gz HNOPUYJMSOACDD-UHFFFAOYSA-N 1 2 248.286 1.058 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753135 592315624 /nfs/dbraw/zinc/31/56/24/592315624.db2.gz BYZCLTVCDKYWNC-SFYZADRCSA-N 1 2 244.364 1.181 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753135 592315629 /nfs/dbraw/zinc/31/56/29/592315629.db2.gz BYZCLTVCDKYWNC-SFYZADRCSA-N 1 2 244.364 1.181 20 0 BDADLO CC[C@H](COC)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753871 592316113 /nfs/dbraw/zinc/31/61/13/592316113.db2.gz YBZMKSSRHWJMRX-MRVPVSSYSA-N 1 2 244.364 1.182 20 0 BDADLO CC[C@H](COC)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753871 592316119 /nfs/dbraw/zinc/31/61/19/592316119.db2.gz YBZMKSSRHWJMRX-MRVPVSSYSA-N 1 2 244.364 1.182 20 0 BDADLO COC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]C(C)C ZINC000886954922 592401336 /nfs/dbraw/zinc/40/13/36/592401336.db2.gz OTIAABMTKPWAAX-NXEZZACHSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCC1CC1 ZINC000887079592 592437414 /nfs/dbraw/zinc/43/74/14/592437414.db2.gz VLSOCHIZCFCHRH-NSHDSACASA-N 1 2 243.372 1.767 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CCCC1CC1 ZINC000887079592 592437417 /nfs/dbraw/zinc/43/74/17/592437417.db2.gz VLSOCHIZCFCHRH-NSHDSACASA-N 1 2 243.372 1.767 20 0 BDADLO C[N@H+](CCCF)Cc1nc(C(F)F)no1 ZINC000887142483 592458516 /nfs/dbraw/zinc/45/85/16/592458516.db2.gz LRMUQKICGTUWBJ-UHFFFAOYSA-N 1 2 223.198 1.799 20 0 BDADLO C[N@@H+](CCCF)Cc1nc(C(F)F)no1 ZINC000887142483 592458522 /nfs/dbraw/zinc/45/85/22/592458522.db2.gz LRMUQKICGTUWBJ-UHFFFAOYSA-N 1 2 223.198 1.799 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCCF)[nH]1 ZINC000887142600 592460051 /nfs/dbraw/zinc/46/00/51/592460051.db2.gz RSPHQZJBZXBMIY-SSDOTTSWSA-N 1 2 200.261 1.466 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCCF)[nH]1 ZINC000887142600 592460052 /nfs/dbraw/zinc/46/00/52/592460052.db2.gz RSPHQZJBZXBMIY-SSDOTTSWSA-N 1 2 200.261 1.466 20 0 BDADLO CCc1cnc(NC(=O)Cc2c[nH+]c[nH]2)o1 ZINC000887235567 592469306 /nfs/dbraw/zinc/46/93/06/592469306.db2.gz FVMPIOAHSKBYPY-UHFFFAOYSA-N 1 2 220.232 1.141 20 0 BDADLO CCc1cnc(NC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000887235567 592469310 /nfs/dbraw/zinc/46/93/10/592469310.db2.gz FVMPIOAHSKBYPY-UHFFFAOYSA-N 1 2 220.232 1.141 20 0 BDADLO C[C@@H]1CC[C@@]2(C1)[NH2+]C1(CCOCC1)C(=O)N2C ZINC000887333956 592481397 /nfs/dbraw/zinc/48/13/97/592481397.db2.gz DVSVLOSCYILKKK-ZWNOBZJWSA-N 1 2 238.331 1.114 20 0 BDADLO CC(C)(CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000887371894 592495499 /nfs/dbraw/zinc/49/54/99/592495499.db2.gz KIRPGXOAKLGFKR-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)(CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000887373682 592496370 /nfs/dbraw/zinc/49/63/70/592496370.db2.gz OVWRRCFFCWSUEZ-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)(CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000887373682 592496372 /nfs/dbraw/zinc/49/63/72/592496372.db2.gz OVWRRCFFCWSUEZ-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000300606124 592516404 /nfs/dbraw/zinc/51/64/04/592516404.db2.gz NBZMYWCKFSIPAZ-ZJUUUORDSA-N 1 2 237.303 1.183 20 0 BDADLO CCCCC1(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000889528444 592618476 /nfs/dbraw/zinc/61/84/76/592618476.db2.gz LEFRJRBOQKDORV-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889615908 592630703 /nfs/dbraw/zinc/63/07/03/592630703.db2.gz DIVHGHZXEKSTPU-FBIMIBRVSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889615908 592630705 /nfs/dbraw/zinc/63/07/05/592630705.db2.gz DIVHGHZXEKSTPU-FBIMIBRVSA-N 1 2 219.288 1.257 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]2CC(C)(C)CO2)cc[nH+]1 ZINC000889792839 592654537 /nfs/dbraw/zinc/65/45/37/592654537.db2.gz OZAVRPUSBBBAPX-GFCCVEGCSA-N 1 2 248.326 1.956 20 0 BDADLO CCO[C@@H](C(=O)NCc1cn(C)c[nH+]1)C(C)C ZINC000890103293 592679885 /nfs/dbraw/zinc/67/98/85/592679885.db2.gz IOMNRCUQLWFQCD-LLVKDONJSA-N 1 2 239.319 1.097 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103920 592680122 /nfs/dbraw/zinc/68/01/22/592680122.db2.gz RHSHSCQCPPRMAC-UHFFFAOYSA-N 1 2 237.303 1.042 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CC(C)(C)C2CC2)c1 ZINC000890106520 592681300 /nfs/dbraw/zinc/68/13/00/592681300.db2.gz BKJUQFRANRZIEP-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO CCCC[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108524 592682499 /nfs/dbraw/zinc/68/24/99/592682499.db2.gz ZUJVBQGFQWUWDF-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO CCc1cncc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890108167 592682703 /nfs/dbraw/zinc/68/27/03/592682703.db2.gz UXGQZKAYPJWOSK-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO C[C@H]1CC/C(=C/C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110817 592684435 /nfs/dbraw/zinc/68/44/35/592684435.db2.gz WBDQQAKKPMWLSA-OYUORYAFSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)c1ocnc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890113741 592684733 /nfs/dbraw/zinc/68/47/33/592684733.db2.gz NSOLKTUJDXKMNJ-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000890110341 592684738 /nfs/dbraw/zinc/68/47/38/592684738.db2.gz MZMRZVWXXHDAKF-GDNZZTSVSA-N 1 2 233.315 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCC2(C)CC2)c1 ZINC000890119605 592685137 /nfs/dbraw/zinc/68/51/37/592685137.db2.gz KOEKYNPUIFYSRP-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2cccnc2)c1 ZINC000890117532 592685379 /nfs/dbraw/zinc/68/53/79/592685379.db2.gz OUFQXUPUFXOYFI-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO CCc1ccc(C(=O)NCc2cn(C)c[nH+]2)cc1 ZINC000890119448 592685679 /nfs/dbraw/zinc/68/56/79/592685679.db2.gz HWTOAXPYZSDRHG-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cc1ccsc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890119790 592686040 /nfs/dbraw/zinc/68/60/40/592686040.db2.gz NQBXVRDMTXEFPX-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1ccnn1C1CCC1 ZINC000890366062 592694992 /nfs/dbraw/zinc/69/49/92/592694992.db2.gz PHHOBVWXSOICAW-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccnn1C1CCC1 ZINC000890366062 592694994 /nfs/dbraw/zinc/69/49/94/592694994.db2.gz PHHOBVWXSOICAW-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO O=C([O-])C1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000037562109 598098863 /nfs/dbraw/zinc/09/88/63/598098863.db2.gz IJUGIEXIRAJMTM-UHFFFAOYSA-N 1 2 240.347 1.315 20 0 BDADLO CCc1cc(N2CC[C@@H](C)[C@H]2CO)nc(CC)[nH+]1 ZINC000893395612 634395319 /nfs/dbraw/zinc/39/53/19/634395319.db2.gz OWBZKZKTSUGVDB-ZYHUDNBSSA-N 1 2 249.358 1.809 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]1C(F)F ZINC000931429213 634443483 /nfs/dbraw/zinc/44/34/83/634443483.db2.gz VSWYRZRJPPJUFV-YIZRAAEISA-N 1 2 205.248 1.751 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]1C(F)F ZINC000931429213 634443487 /nfs/dbraw/zinc/44/34/87/634443487.db2.gz VSWYRZRJPPJUFV-YIZRAAEISA-N 1 2 205.248 1.751 20 0 BDADLO Cc1nc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)[nH]c1C ZINC000931468406 634471582 /nfs/dbraw/zinc/47/15/82/634471582.db2.gz XRCJSLYZORNNAK-QMMMGPOBSA-N 1 2 245.330 1.869 20 0 BDADLO Cc1nc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)[nH]c1C ZINC000931468406 634471590 /nfs/dbraw/zinc/47/15/90/634471590.db2.gz XRCJSLYZORNNAK-QMMMGPOBSA-N 1 2 245.330 1.869 20 0 BDADLO Cc1[nH]c(CN2Cc3c[nH]nc3[C@@H](C)C2)[nH+]c1C ZINC000931468406 634471599 /nfs/dbraw/zinc/47/15/99/634471599.db2.gz XRCJSLYZORNNAK-QMMMGPOBSA-N 1 2 245.330 1.869 20 0 BDADLO c1cn(C2CC2)c(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000893500207 634536008 /nfs/dbraw/zinc/53/60/08/634536008.db2.gz AEMLJGINGVILGX-UHFFFAOYSA-N 1 2 247.342 1.830 20 0 BDADLO c1cn(C2CC2)c(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000893500207 634536011 /nfs/dbraw/zinc/53/60/11/634536011.db2.gz AEMLJGINGVILGX-UHFFFAOYSA-N 1 2 247.342 1.830 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000336014634 634576734 /nfs/dbraw/zinc/57/67/34/634576734.db2.gz AZRIOWHXXWVEEF-QMMMGPOBSA-N 1 2 243.257 1.472 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001009804195 634582233 /nfs/dbraw/zinc/58/22/33/634582233.db2.gz VFVLDYQNRZMCAI-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001009804195 634582239 /nfs/dbraw/zinc/58/22/39/634582239.db2.gz VFVLDYQNRZMCAI-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001009804194 634583215 /nfs/dbraw/zinc/58/32/15/634583215.db2.gz VFVLDYQNRZMCAI-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001009804194 634583221 /nfs/dbraw/zinc/58/32/21/634583221.db2.gz VFVLDYQNRZMCAI-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@H](F)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981760461 635391465 /nfs/dbraw/zinc/39/14/65/635391465.db2.gz CRWDYAXPOISUFM-JTQLQIEISA-N 1 2 234.290 1.238 20 0 BDADLO CC[C@H](F)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981760461 635391472 /nfs/dbraw/zinc/39/14/72/635391472.db2.gz CRWDYAXPOISUFM-JTQLQIEISA-N 1 2 234.290 1.238 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000095015502 635404226 /nfs/dbraw/zinc/40/42/26/635404226.db2.gz PTTYYNUKKDZQSA-XUIVZRPNSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000095015502 635404233 /nfs/dbraw/zinc/40/42/33/635404233.db2.gz PTTYYNUKKDZQSA-XUIVZRPNSA-N 1 2 241.331 1.605 20 0 BDADLO O=C(N1CCC[N@@H+](CCF)CC1)C1(CF)CC1 ZINC000981931252 635429567 /nfs/dbraw/zinc/42/95/67/635429567.db2.gz XXWPVIARQPHUBV-UHFFFAOYSA-N 1 2 246.301 1.240 20 0 BDADLO O=C(N1CCC[N@H+](CCF)CC1)C1(CF)CC1 ZINC000981931252 635429585 /nfs/dbraw/zinc/42/95/85/635429585.db2.gz XXWPVIARQPHUBV-UHFFFAOYSA-N 1 2 246.301 1.240 20 0 BDADLO CCc1cc(N2C[C@@H]3COC[C@@H]3C2)nc(CC)[nH+]1 ZINC000893680620 635445093 /nfs/dbraw/zinc/44/50/93/635445093.db2.gz ZKMHYTSBYBBWOC-PHIMTYICSA-N 1 2 247.342 1.684 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3nonc3C)C2)no1 ZINC000931940515 635483565 /nfs/dbraw/zinc/48/35/65/635483565.db2.gz LFPAJBFHYYFAFH-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3nonc3C)C2)no1 ZINC000931940515 635483569 /nfs/dbraw/zinc/48/35/69/635483569.db2.gz LFPAJBFHYYFAFH-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO CNc1cc(N[C@@H](C)C2CCOCC2)[nH+]cn1 ZINC000234515547 635556247 /nfs/dbraw/zinc/55/62/47/635556247.db2.gz HPPAYFLHCGBHJM-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CNOC2)c(C)s1 ZINC000925867409 635572202 /nfs/dbraw/zinc/57/22/02/635572202.db2.gz NKNZFUSYJXKOQW-IMTBSYHQSA-N 1 2 227.333 1.314 20 0 BDADLO COC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828321 635604145 /nfs/dbraw/zinc/60/41/45/635604145.db2.gz DUZIZIPCEPAZDO-UHFFFAOYSA-N 1 2 209.249 1.356 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)C(=O)OC(C)(C)C ZINC000090815049 631235936 /nfs/dbraw/zinc/23/59/36/631235936.db2.gz GQFQSOZYYBFTGZ-VWYCJHECSA-N 1 2 243.347 1.610 20 0 BDADLO CC(C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000308374567 631238150 /nfs/dbraw/zinc/23/81/50/631238150.db2.gz IWSJRLSLDYQNCW-UHFFFAOYSA-N 1 2 207.277 1.326 20 0 BDADLO CC[N@H+](CCO)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891451274 631353394 /nfs/dbraw/zinc/35/33/94/631353394.db2.gz PQKCCNKYWJQTJL-UHFFFAOYSA-N 1 2 243.738 1.755 20 0 BDADLO CC[N@@H+](CCO)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891451274 631353397 /nfs/dbraw/zinc/35/33/97/631353397.db2.gz PQKCCNKYWJQTJL-UHFFFAOYSA-N 1 2 243.738 1.755 20 0 BDADLO CCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000082299680 631403701 /nfs/dbraw/zinc/40/37/01/631403701.db2.gz TVLHLEWAJTYQSA-UHFFFAOYSA-N 1 2 217.272 1.864 20 0 BDADLO C[C@@H]([NH2+]CCCF)C(=O)OC(C)(C)C ZINC000308567239 631431841 /nfs/dbraw/zinc/43/18/41/631431841.db2.gz YZXZGWCLXMYGFL-MRVPVSSYSA-N 1 2 205.273 1.666 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000891695785 631452714 /nfs/dbraw/zinc/45/27/14/631452714.db2.gz CLFYHVZOOCXGKP-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000891695785 631452719 /nfs/dbraw/zinc/45/27/19/631452719.db2.gz CLFYHVZOOCXGKP-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO CC(C)n1c[nH+]cc1CNCc1ccon1 ZINC000088052629 631484972 /nfs/dbraw/zinc/48/49/72/631484972.db2.gz SWYLFGFGRJAXOY-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)C(=O)OC(C)(C)C ZINC000090815048 631531985 /nfs/dbraw/zinc/53/19/85/631531985.db2.gz GQFQSOZYYBFTGZ-DCAQKATOSA-N 1 2 243.347 1.610 20 0 BDADLO CNc1cc(NCC2=CCCOC2)nc[nH+]1 ZINC000893867765 635633048 /nfs/dbraw/zinc/63/30/48/635633048.db2.gz RUPCXDNRHQUYFF-UHFFFAOYSA-N 1 2 220.276 1.277 20 0 BDADLO CNc1cc(NCC2=CCCOC2)[nH+]cn1 ZINC000893867765 635633055 /nfs/dbraw/zinc/63/30/55/635633055.db2.gz RUPCXDNRHQUYFF-UHFFFAOYSA-N 1 2 220.276 1.277 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H]2CO)cs1 ZINC000934012278 631586265 /nfs/dbraw/zinc/58/62/65/631586265.db2.gz PYROZKFURGOCKT-SECBINFHSA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@@H]2CO)cs1 ZINC000934012278 631586268 /nfs/dbraw/zinc/58/62/68/631586268.db2.gz PYROZKFURGOCKT-SECBINFHSA-N 1 2 241.312 1.101 20 0 BDADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H]1CO ZINC000934026747 631605399 /nfs/dbraw/zinc/60/53/99/631605399.db2.gz NQSXRKUQZJXNBT-NSHDSACASA-N 1 2 241.718 1.915 20 0 BDADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@H]1CO ZINC000934026747 631605404 /nfs/dbraw/zinc/60/54/04/631605404.db2.gz NQSXRKUQZJXNBT-NSHDSACASA-N 1 2 241.718 1.915 20 0 BDADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]1CO ZINC000934031651 631630673 /nfs/dbraw/zinc/63/06/73/631630673.db2.gz QYJCCELINLJLDG-RYUDHWBXSA-N 1 2 248.326 1.389 20 0 BDADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]1CO ZINC000934031651 631630677 /nfs/dbraw/zinc/63/06/77/631630677.db2.gz QYJCCELINLJLDG-RYUDHWBXSA-N 1 2 248.326 1.389 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ncc(Cl)n1C ZINC000934126313 631704427 /nfs/dbraw/zinc/70/44/27/631704427.db2.gz ORNLIJCVZOYIMR-IUCAKERBSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ncc(Cl)n1C ZINC000934126313 631704429 /nfs/dbraw/zinc/70/44/29/631704429.db2.gz ORNLIJCVZOYIMR-IUCAKERBSA-N 1 2 243.738 1.683 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](CC)CO ZINC000308970631 631774157 /nfs/dbraw/zinc/77/41/57/631774157.db2.gz ZEPCBLXDDPKRIU-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO C[C@@]1(C(=O)OCCn2cc[nH+]c2)C=CCC1 ZINC000924413070 631777013 /nfs/dbraw/zinc/77/70/13/631777013.db2.gz NJHBLSHLQITRKA-GFCCVEGCSA-N 1 2 220.272 1.783 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934395867 631821133 /nfs/dbraw/zinc/82/11/33/631821133.db2.gz MMIOQVRHNHVYGM-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000309055717 631831445 /nfs/dbraw/zinc/83/14/45/631831445.db2.gz UHSSFOIMFJDAMF-OPRDCNLKSA-N 1 2 229.345 1.566 20 0 BDADLO CCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051674549 631861297 /nfs/dbraw/zinc/86/12/97/631861297.db2.gz FUVOKGBAVKGGIS-UHFFFAOYSA-N 1 2 237.303 1.526 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2cccc(F)c2)C[C@H]1F ZINC000934562179 631922923 /nfs/dbraw/zinc/92/29/23/631922923.db2.gz YTWAYSAXKDBGST-CHWSQXEVSA-N 1 2 241.281 1.773 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@H]1F ZINC000934562179 631922928 /nfs/dbraw/zinc/92/29/28/631922928.db2.gz YTWAYSAXKDBGST-CHWSQXEVSA-N 1 2 241.281 1.773 20 0 BDADLO O[C@H]1CC[N@H+](CCc2cccc(F)c2)C[C@@H]1F ZINC000934562182 631923789 /nfs/dbraw/zinc/92/37/89/631923789.db2.gz YTWAYSAXKDBGST-STQMWFEESA-N 1 2 241.281 1.773 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@@H]1F ZINC000934562182 631923796 /nfs/dbraw/zinc/92/37/96/631923796.db2.gz YTWAYSAXKDBGST-STQMWFEESA-N 1 2 241.281 1.773 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934568702 631942510 /nfs/dbraw/zinc/94/25/10/631942510.db2.gz VCLMDVSUNVQZFX-NEPJUHHUSA-N 1 2 242.294 1.239 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934568702 631942514 /nfs/dbraw/zinc/94/25/14/631942514.db2.gz VCLMDVSUNVQZFX-NEPJUHHUSA-N 1 2 242.294 1.239 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2ccccc2F)C[C@@H]1F ZINC000934573227 631947823 /nfs/dbraw/zinc/94/78/23/631947823.db2.gz OKGDIWSPGKPMBF-QWHCGFSZSA-N 1 2 241.281 1.773 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2ccccc2F)C[C@@H]1F ZINC000934573227 631947830 /nfs/dbraw/zinc/94/78/30/631947830.db2.gz OKGDIWSPGKPMBF-QWHCGFSZSA-N 1 2 241.281 1.773 20 0 BDADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cncn1C ZINC000926442868 632055435 /nfs/dbraw/zinc/05/54/35/632055435.db2.gz KQZNVURUCMYYEL-LLVKDONJSA-N 1 2 246.314 1.884 20 0 BDADLO CCCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179515105 632740687 /nfs/dbraw/zinc/74/06/87/632740687.db2.gz QRGLDAPJJSQMHF-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CNC(=S)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000066006659 632817852 /nfs/dbraw/zinc/81/78/52/632817852.db2.gz AIDCXFYJZOEWST-SECBINFHSA-N 1 2 240.376 1.392 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000162172781 633023178 /nfs/dbraw/zinc/02/31/78/633023178.db2.gz QXOXARWQPKNCRU-RYUDHWBXSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@@H]([NH2+]CCC(C)(C)O)C(=O)OC(C)(C)C ZINC000309464076 633100439 /nfs/dbraw/zinc/10/04/39/633100439.db2.gz SJBYETWZVYOGIP-SECBINFHSA-N 1 2 231.336 1.467 20 0 BDADLO C[C@@H]1[C@@H]([N@@H+]2CCO[C@H](C(F)F)C2)CO[C@H]1C ZINC000926820981 633159695 /nfs/dbraw/zinc/15/96/95/633159695.db2.gz FPWFQBLGIASAIE-XKNYDFJKSA-N 1 2 235.274 1.376 20 0 BDADLO C[C@@H]1[C@@H]([N@H+]2CCO[C@H](C(F)F)C2)CO[C@H]1C ZINC000926820981 633159701 /nfs/dbraw/zinc/15/97/01/633159701.db2.gz FPWFQBLGIASAIE-XKNYDFJKSA-N 1 2 235.274 1.376 20 0 BDADLO CC[C@@H](C)CONC(=O)CCc1c[nH+]c[nH]1 ZINC000293598135 633197596 /nfs/dbraw/zinc/19/75/96/633197596.db2.gz CCNRBHOVNBCWTN-SECBINFHSA-N 1 2 225.292 1.436 20 0 BDADLO CCc1cc(N2CCC[C@H]2C(N)=O)nc(CC)[nH+]1 ZINC000894738756 635919748 /nfs/dbraw/zinc/91/97/48/635919748.db2.gz SYVCKUURCJVYOF-JTQLQIEISA-N 1 2 248.330 1.056 20 0 BDADLO CCC(F)(F)CNc1cc(N(C)C)nc[nH+]1 ZINC000894739012 635919810 /nfs/dbraw/zinc/91/98/10/635919810.db2.gz WMNLKRCECMSOHU-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO CCC(F)(F)CNc1cc(N(C)C)[nH+]cn1 ZINC000894739012 635919813 /nfs/dbraw/zinc/91/98/13/635919813.db2.gz WMNLKRCECMSOHU-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO C[C@@H](Nc1nccs1)[C@H](C)[NH+]1CCOCC1 ZINC000309736739 633235543 /nfs/dbraw/zinc/23/55/43/633235543.db2.gz CMIVACRBSTXLDT-ZJUUUORDSA-N 1 2 241.360 1.664 20 0 BDADLO CO[C@@H]1CC[C@@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000894938622 636010352 /nfs/dbraw/zinc/01/03/52/636010352.db2.gz BDPRTEGGBUISLJ-GHMZBOCLSA-N 1 2 246.314 1.733 20 0 BDADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1C ZINC001029179755 636004359 /nfs/dbraw/zinc/00/43/59/636004359.db2.gz FBJCKKVEOPVWPJ-BETUJISGSA-N 1 2 249.314 1.178 20 0 BDADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1C ZINC001029179755 636004361 /nfs/dbraw/zinc/00/43/61/636004361.db2.gz FBJCKKVEOPVWPJ-BETUJISGSA-N 1 2 249.314 1.178 20 0 BDADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001025641727 633728820 /nfs/dbraw/zinc/72/88/20/633728820.db2.gz QNNCRLUGPNRMBW-OPAMGWGVSA-N 1 2 249.141 1.372 20 0 BDADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001025641727 633728827 /nfs/dbraw/zinc/72/88/27/633728827.db2.gz QNNCRLUGPNRMBW-OPAMGWGVSA-N 1 2 249.141 1.372 20 0 BDADLO COC(=O)/C(C)=C\CNc1cccc[nH+]1 ZINC000895514006 636154426 /nfs/dbraw/zinc/15/44/26/636154426.db2.gz OCMWUIBPMBIZAS-TWGQIWQCSA-N 1 2 206.245 1.613 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000309925481 634045252 /nfs/dbraw/zinc/04/52/52/634045252.db2.gz VDKNEZAOZRZVIN-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1cnc[nH]1 ZINC000310120865 634074524 /nfs/dbraw/zinc/07/45/24/634074524.db2.gz DOQHRFIXIUBWRG-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO CCc1cc(N2CC(C(C)(C)O)C2)nc(CC)[nH+]1 ZINC000893375631 634362750 /nfs/dbraw/zinc/36/27/50/634362750.db2.gz NFQMBBWUGMHYGH-UHFFFAOYSA-N 1 2 249.358 1.809 20 0 BDADLO CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC000981558887 635367526 /nfs/dbraw/zinc/36/75/26/635367526.db2.gz AZFSJQVMNLOBKR-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC000981558887 635367530 /nfs/dbraw/zinc/36/75/30/635367530.db2.gz AZFSJQVMNLOBKR-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO FC1(F)[C@H]2CN(c3nccn4c[nH+]cc34)C[C@H]21 ZINC000894407262 635892778 /nfs/dbraw/zinc/89/27/78/635892778.db2.gz TWNZPZYGKRITGH-OCAPTIKFSA-N 1 2 236.225 1.431 20 0 BDADLO Cc1nc(N2CC[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000897120699 636270158 /nfs/dbraw/zinc/27/01/58/636270158.db2.gz XBQIIDBVFASPDS-JTQLQIEISA-N 1 2 233.315 1.235 20 0 BDADLO Fc1cc(NCCCn2cc[nH+]c2)ncn1 ZINC000149926413 636315573 /nfs/dbraw/zinc/31/55/73/636315573.db2.gz YLLZPSCFTDPAOT-UHFFFAOYSA-N 1 2 221.239 1.314 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925293142 636741840 /nfs/dbraw/zinc/74/18/40/636741840.db2.gz KGINDLCULPBSOY-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC(CF)CF)c[nH+]1 ZINC000897873079 636841458 /nfs/dbraw/zinc/84/14/58/636841458.db2.gz GVUABFAHQXYTAO-UHFFFAOYSA-N 1 2 245.273 1.350 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)CC(C)(C)O ZINC000078777932 636857512 /nfs/dbraw/zinc/85/75/12/636857512.db2.gz AXCWDMMGMJKXMI-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)CC(C)(C)O ZINC000078777932 636857516 /nfs/dbraw/zinc/85/75/16/636857516.db2.gz AXCWDMMGMJKXMI-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H]1C[C@H]1c1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923920939 636986514 /nfs/dbraw/zinc/98/65/14/636986514.db2.gz JDQLVUIJNGYVIU-ZYUZMQFOSA-N 1 2 237.303 1.585 20 0 BDADLO C[C@@H]1C[C@H]1c1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923920939 636986515 /nfs/dbraw/zinc/98/65/15/636986515.db2.gz JDQLVUIJNGYVIU-ZYUZMQFOSA-N 1 2 237.303 1.585 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923893803 637015839 /nfs/dbraw/zinc/01/58/39/637015839.db2.gz OOGXFMQLDOFDFB-QWRGUYRKSA-N 1 2 227.304 1.380 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923893803 637015849 /nfs/dbraw/zinc/01/58/49/637015849.db2.gz OOGXFMQLDOFDFB-QWRGUYRKSA-N 1 2 227.304 1.380 20 0 BDADLO C[C@H](c1nc(Cc2ccon2)no1)[NH+](C)C ZINC000923895433 637019706 /nfs/dbraw/zinc/01/97/06/637019706.db2.gz TZHWLBRGDJISOD-SSDOTTSWSA-N 1 2 222.248 1.271 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000898502244 637046139 /nfs/dbraw/zinc/04/61/39/637046139.db2.gz CJXYKUYZJVCZNH-QWRGUYRKSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000898502244 637046146 /nfs/dbraw/zinc/04/61/46/637046146.db2.gz CJXYKUYZJVCZNH-QWRGUYRKSA-N 1 2 240.322 1.337 20 0 BDADLO CC(C)(CNC(=O)[C@H]1CCC(=O)C1)n1cc[nH+]c1 ZINC000898910173 637063445 /nfs/dbraw/zinc/06/34/45/637063445.db2.gz KLVROODIOIYCAY-JTQLQIEISA-N 1 2 249.314 1.104 20 0 BDADLO CC(C)(CNC(=O)C1CC2(CC2)C1)n1cc[nH+]c1 ZINC000898910902 637064316 /nfs/dbraw/zinc/06/43/16/637064316.db2.gz AVPMSMQRBNSURT-UHFFFAOYSA-N 1 2 247.342 1.925 20 0 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CC(C)CC[C@H](N)c1nc(C2([NH3+])CC2)no1 ZINC000905332498 637780582 /nfs/dbraw/zinc/78/05/82/637780582.db2.gz WDBZSEGEBOBSJJ-QMMMGPOBSA-N 1 2 224.308 1.453 20 0 BDADLO FCCn1cc(CNc2cc[nH+]cc2F)cn1 ZINC000905412159 637800737 /nfs/dbraw/zinc/80/07/37/637800737.db2.gz UDCAWVKXDROFPK-UHFFFAOYSA-N 1 2 238.241 1.421 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2cccnc2=S)CCO1 ZINC000905742113 637904482 /nfs/dbraw/zinc/90/44/82/637904482.db2.gz YVZHHXFRTMKSAE-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2cccnc2=S)CCO1 ZINC000905742113 637904487 /nfs/dbraw/zinc/90/44/87/637904487.db2.gz YVZHHXFRTMKSAE-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO Cn1nccc1[C@H]1CCC[N@@H+]1CN1CCCC1=O ZINC000905742853 637905339 /nfs/dbraw/zinc/90/53/39/637905339.db2.gz VEGGAKWSPWRWHX-GFCCVEGCSA-N 1 2 248.330 1.137 20 0 BDADLO Cn1nccc1[C@H]1CCC[N@H+]1CN1CCCC1=O ZINC000905742853 637905350 /nfs/dbraw/zinc/90/53/50/637905350.db2.gz VEGGAKWSPWRWHX-GFCCVEGCSA-N 1 2 248.330 1.137 20 0 BDADLO 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242.294 1.452 20 0 BDADLO COCCOCC[N@H+](C)[C@H](C)c1ncccn1 ZINC000930502364 639784654 /nfs/dbraw/zinc/78/46/54/639784654.db2.gz IFOCRKJHSQRVHS-LLVKDONJSA-N 1 2 239.319 1.132 20 0 BDADLO COCCOCC[N@@H+](C)[C@H](C)c1ncccn1 ZINC000930502364 639784664 /nfs/dbraw/zinc/78/46/64/639784664.db2.gz IFOCRKJHSQRVHS-LLVKDONJSA-N 1 2 239.319 1.132 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000930587945 639814582 /nfs/dbraw/zinc/81/45/82/639814582.db2.gz FOUDPMJKXXWNKK-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000930587945 639814583 /nfs/dbraw/zinc/81/45/83/639814583.db2.gz FOUDPMJKXXWNKK-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(C(C)C)ns1 ZINC000930598310 639816411 /nfs/dbraw/zinc/81/64/11/639816411.db2.gz KYQOLGJTOAKRGQ-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C(C)C)ns1 ZINC000930598310 639816412 /nfs/dbraw/zinc/81/64/12/639816412.db2.gz KYQOLGJTOAKRGQ-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO 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COCc1ccnc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000911924169 639880715 /nfs/dbraw/zinc/88/07/15/639880715.db2.gz ZRWSEPUCJCVOKS-UHFFFAOYSA-N 1 2 246.270 1.132 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCC(F)(F)F ZINC000930832758 639931372 /nfs/dbraw/zinc/93/13/72/639931372.db2.gz ZVGOFDXRLLGXAD-XLPZGREQSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCC(F)(F)F ZINC000930832758 639931376 /nfs/dbraw/zinc/93/13/76/639931376.db2.gz ZVGOFDXRLLGXAD-XLPZGREQSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@@H]1CCCCN1NC(=O)CNc1cccc[nH+]1 ZINC000912139031 639962969 /nfs/dbraw/zinc/96/29/69/639962969.db2.gz FNQLENHQZQLEMJ-LLVKDONJSA-N 1 2 248.330 1.399 20 0 BDADLO CC1(C)C[C@@](C)([NH2+]CCC2(O)CCC2)C(=O)O1 ZINC000930871498 639963155 /nfs/dbraw/zinc/96/31/55/639963155.db2.gz CVISTADALLBNMM-GFCCVEGCSA-N 1 2 241.331 1.365 20 0 BDADLO c1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)s1 ZINC000930895358 639975401 /nfs/dbraw/zinc/97/54/01/639975401.db2.gz SUBSZKLLXPWWFA-IUCAKERBSA-N 1 2 209.318 1.913 20 0 BDADLO c1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)s1 ZINC000930895358 639975403 /nfs/dbraw/zinc/97/54/03/639975403.db2.gz SUBSZKLLXPWWFA-IUCAKERBSA-N 1 2 209.318 1.913 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(N)nc1)c1cscn1 ZINC000930965824 640002190 /nfs/dbraw/zinc/00/21/90/640002190.db2.gz VRZOQZWHSOLTKC-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+](C)CC1=CCCOC1 ZINC000930996476 640014493 /nfs/dbraw/zinc/01/44/93/640014493.db2.gz CQESVDLBCOVRAO-NSHDSACASA-N 1 2 233.315 1.816 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+](C)CC1=CCCOC1 ZINC000930996476 640014501 /nfs/dbraw/zinc/01/45/01/640014501.db2.gz CQESVDLBCOVRAO-NSHDSACASA-N 1 2 233.315 1.816 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000912400362 640053053 /nfs/dbraw/zinc/05/30/53/640053053.db2.gz WEOZIAOJXAKCDJ-XYPYZODXSA-N 1 2 249.314 1.177 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141014 640074301 /nfs/dbraw/zinc/07/43/01/640074301.db2.gz DUVBQYIKZWYLDO-DCAQKATOSA-N 1 2 236.319 1.367 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141014 640074309 /nfs/dbraw/zinc/07/43/09/640074309.db2.gz DUVBQYIKZWYLDO-DCAQKATOSA-N 1 2 236.319 1.367 20 0 BDADLO c1nnc([C@@H]2CCC[N@H+]2CC[C@H]2CCCO2)[nH]1 ZINC000931140331 640075034 /nfs/dbraw/zinc/07/50/34/640075034.db2.gz IFVYQBQSEMZKMO-MNOVXSKESA-N 1 2 236.319 1.511 20 0 BDADLO c1nnc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCO2)[nH]1 ZINC000931140331 640075040 /nfs/dbraw/zinc/07/50/40/640075040.db2.gz IFVYQBQSEMZKMO-MNOVXSKESA-N 1 2 236.319 1.511 20 0 BDADLO Cc1[nH+]ccn1CCN1CCC[C@H]1c1nc[nH]n1 ZINC000931140029 640076843 /nfs/dbraw/zinc/07/68/43/640076843.db2.gz DKQMIKJPZATZAT-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](CCF)C1 ZINC000912506952 640101129 /nfs/dbraw/zinc/10/11/29/640101129.db2.gz MYOIUBYAYUOAKX-JTQLQIEISA-N 1 2 239.294 1.550 20 0 BDADLO CC[C@@H](NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000912516049 640104904 /nfs/dbraw/zinc/10/49/04/640104904.db2.gz SGRZWBYBNONGSK-LLVKDONJSA-N 1 2 233.315 1.798 20 0 BDADLO CCC[C@@H](C)CCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931234038 640108679 /nfs/dbraw/zinc/10/86/79/640108679.db2.gz PVSRAXLJBKMBLV-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO CCC[C@@H](C)CCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931234038 640108689 /nfs/dbraw/zinc/10/86/89/640108689.db2.gz PVSRAXLJBKMBLV-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO CCC/C=C\[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912585302 640121886 /nfs/dbraw/zinc/12/18/86/640121886.db2.gz RMHUQKCGXNKCEL-CKUGJSDZSA-N 1 2 249.314 1.161 20 0 BDADLO O=C(CCC1(O)CCC1)N[C@H]1CCn2c[nH+]cc21 ZINC000912584763 640122474 /nfs/dbraw/zinc/12/24/74/640122474.db2.gz SIJWHNGBZSCCJX-JTQLQIEISA-N 1 2 249.314 1.139 20 0 BDADLO COC/C(C)=C/C[N@@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931312565 640145756 /nfs/dbraw/zinc/14/57/56/640145756.db2.gz VTQCCKBIRJRMKD-RUDMXATFSA-N 1 2 249.314 1.399 20 0 BDADLO COC/C(C)=C/C[N@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931312565 640145765 /nfs/dbraw/zinc/14/57/65/640145765.db2.gz VTQCCKBIRJRMKD-RUDMXATFSA-N 1 2 249.314 1.399 20 0 BDADLO CC(C)(C)n1nccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912719048 640177489 /nfs/dbraw/zinc/17/74/89/640177489.db2.gz MUWSOXVRWDKWOQ-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)Cc2c[nH]nc21 ZINC000931460034 640216136 /nfs/dbraw/zinc/21/61/36/640216136.db2.gz UWRQEPOCAIOUAL-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)Cc2c[nH]nc21 ZINC000931460034 640216144 /nfs/dbraw/zinc/21/61/44/640216144.db2.gz UWRQEPOCAIOUAL-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461598 640219227 /nfs/dbraw/zinc/21/92/27/640219227.db2.gz VZUIAHBOEUFMIB-HTRCEHHLSA-N 1 2 249.236 1.252 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461598 640219232 /nfs/dbraw/zinc/21/92/32/640219232.db2.gz VZUIAHBOEUFMIB-HTRCEHHLSA-N 1 2 249.236 1.252 20 0 BDADLO CCC[C@H](O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000931466944 640226406 /nfs/dbraw/zinc/22/64/06/640226406.db2.gz GPJYGGWSZKTVAG-NSHDSACASA-N 1 2 247.298 1.742 20 0 BDADLO C/C=C/C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000912910278 640237055 /nfs/dbraw/zinc/23/70/55/640237055.db2.gz SOGIBBGTTSXCIN-GORDUTHDSA-N 1 2 245.326 1.874 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccns1 ZINC000913059298 640297915 /nfs/dbraw/zinc/29/79/15/640297915.db2.gz ZIRUBMGWPMGFCN-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccns1 ZINC000913059298 640297920 /nfs/dbraw/zinc/29/79/20/640297920.db2.gz ZIRUBMGWPMGFCN-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)CCF)CCN2 ZINC000913178189 640318655 /nfs/dbraw/zinc/31/86/55/640318655.db2.gz JWIIKTPJCRGPNK-UHFFFAOYSA-N 1 2 223.251 1.508 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC=CC12CCCC2 ZINC000913205180 640331766 /nfs/dbraw/zinc/33/17/66/640331766.db2.gz VNQCONBECOMOAW-UHFFFAOYSA-N 1 2 245.326 1.972 20 0 BDADLO C/C=C/C=C/C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913441905 640371941 /nfs/dbraw/zinc/37/19/41/640371941.db2.gz VAKHZCAPSUPFTR-BBNTXXRWSA-N 1 2 246.314 1.015 20 0 BDADLO CC/C(C)=C\C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452601 640372879 /nfs/dbraw/zinc/37/28/79/640372879.db2.gz CONQWVIQCBKYBO-XTOZHPGHSA-N 1 2 248.330 1.239 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)no1 ZINC000931934719 640395606 /nfs/dbraw/zinc/39/56/06/640395606.db2.gz ULLMHHILGIXXDG-JTQLQIEISA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)no1 ZINC000931934719 640395613 /nfs/dbraw/zinc/39/56/13/640395613.db2.gz ULLMHHILGIXXDG-JTQLQIEISA-N 1 2 247.302 1.101 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC000932348981 640491457 /nfs/dbraw/zinc/49/14/57/640491457.db2.gz CXSMMIYVNUZNDY-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCO[C@@H](C)CC2)n1 ZINC000932348981 640491462 /nfs/dbraw/zinc/49/14/62/640491462.db2.gz CXSMMIYVNUZNDY-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO COC(C)(C)[C@@H](C)[NH2+]CC(=O)OCC(C)C ZINC000932371411 640502295 /nfs/dbraw/zinc/50/22/95/640502295.db2.gz YELIDZQNIIXZDU-SNVBAGLBSA-N 1 2 231.336 1.589 20 0 BDADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030047139 640542031 /nfs/dbraw/zinc/54/20/31/640542031.db2.gz KBSWWGSXHJWOIS-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2ccco2)C1 ZINC001030057958 640552640 /nfs/dbraw/zinc/55/26/40/640552640.db2.gz USDBKOVMYLNAMG-VIFPVBQESA-N 1 2 240.278 1.442 20 0 BDADLO CCCNc1cc(N[C@@H](C)CCCO)nc[nH+]1 ZINC000157060351 640566914 /nfs/dbraw/zinc/56/69/14/640566914.db2.gz NYVXIKYYAPPMSH-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(N[C@@H](C)CCCO)[nH+]cn1 ZINC000157060351 640566918 /nfs/dbraw/zinc/56/69/18/640566918.db2.gz NYVXIKYYAPPMSH-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603431 640581694 /nfs/dbraw/zinc/58/16/94/640581694.db2.gz VKQWQKBHFXRYCS-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO CC(C)(O)CC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603431 640581698 /nfs/dbraw/zinc/58/16/98/640581698.db2.gz VKQWQKBHFXRYCS-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC000932640416 640594523 /nfs/dbraw/zinc/59/45/23/640594523.db2.gz AJJDHXKNYPOKIA-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000932640416 640594526 /nfs/dbraw/zinc/59/45/26/640594526.db2.gz AJJDHXKNYPOKIA-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO Cc1ccoc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030106126 640597092 /nfs/dbraw/zinc/59/70/92/640597092.db2.gz YYEAOOOROOQPOJ-UHFFFAOYSA-N 1 2 240.278 1.362 20 0 BDADLO Cn1ccnc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932814714 640612857 /nfs/dbraw/zinc/61/28/57/640612857.db2.gz ITZMWPVMCDFFFC-UHFFFAOYSA-N 1 2 249.358 1.547 20 0 BDADLO CCOC(=O)CCCC[N@@H+]1CCCC(=O)[C@@H]1C ZINC000932860023 640628296 /nfs/dbraw/zinc/62/82/96/640628296.db2.gz OPRUGEMQHMNGLD-NSHDSACASA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)CCCC[N@H+]1CCCC(=O)[C@@H]1C ZINC000932860023 640628301 /nfs/dbraw/zinc/62/83/01/640628301.db2.gz OPRUGEMQHMNGLD-NSHDSACASA-N 1 2 241.331 1.773 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC000932969971 640652915 /nfs/dbraw/zinc/65/29/15/640652915.db2.gz RXEVWJAEFGKYBI-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000932969971 640652920 /nfs/dbraw/zinc/65/29/20/640652920.db2.gz RXEVWJAEFGKYBI-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001030187390 640665708 /nfs/dbraw/zinc/66/57/08/640665708.db2.gz IENOLGYKAUWVJF-LLVKDONJSA-N 1 2 236.359 1.799 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cncs1 ZINC000933219710 640685528 /nfs/dbraw/zinc/68/55/28/640685528.db2.gz YXNDWBPTOXOPQB-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cncs1 ZINC000933219710 640685531 /nfs/dbraw/zinc/68/55/31/640685531.db2.gz YXNDWBPTOXOPQB-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CCc1noc(C[NH2+][C@]23C[C@H]2COC32CCC2)n1 ZINC000933393300 640713218 /nfs/dbraw/zinc/71/32/18/640713218.db2.gz FSBZIPKBLKNTEP-TVQRCGJNSA-N 1 2 249.314 1.433 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000225913688 640714786 /nfs/dbraw/zinc/71/47/86/640714786.db2.gz FILZFFUTJBMUCI-LLVKDONJSA-N 1 2 243.347 1.423 20 0 BDADLO C[N@H+](Cc1cncs1)Cc1cccc(=O)[nH]1 ZINC000933401478 640715654 /nfs/dbraw/zinc/71/56/54/640715654.db2.gz LSBVCVOCDDHTFX-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cncs1)Cc1cccc(=O)[nH]1 ZINC000933401478 640715656 /nfs/dbraw/zinc/71/56/56/640715656.db2.gz LSBVCVOCDDHTFX-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO OCCCCCCN1CC[NH+](C2CC2)CC1 ZINC000226835857 640799310 /nfs/dbraw/zinc/79/93/10/640799310.db2.gz UOUNGMQAHHHBCQ-UHFFFAOYSA-N 1 2 226.364 1.319 20 0 BDADLO CCCC[NH+]1CC(NC(=O)c2ccns2)C1 ZINC001030385481 640810501 /nfs/dbraw/zinc/81/05/01/640810501.db2.gz HHFQJOOJYZKVJD-UHFFFAOYSA-N 1 2 239.344 1.357 20 0 BDADLO CC(=O)CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000059693587 640825342 /nfs/dbraw/zinc/82/53/42/640825342.db2.gz SDHZTSOXKHXFGY-UHFFFAOYSA-N 1 2 238.253 1.145 20 0 BDADLO CNc1cc(N2CCC[C@@](C)(OC)C2)nc[nH+]1 ZINC000230298782 641047732 /nfs/dbraw/zinc/04/77/32/641047732.db2.gz UYBROUHTKQCURP-GFCCVEGCSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2CCC[C@@](C)(OC)C2)[nH+]cn1 ZINC000230298782 641047735 /nfs/dbraw/zinc/04/77/35/641047735.db2.gz UYBROUHTKQCURP-GFCCVEGCSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2CCC[C@@](C)(O)CC2)nc[nH+]1 ZINC000230384780 641050051 /nfs/dbraw/zinc/05/00/51/641050051.db2.gz KBMQPPYMDATORU-GFCCVEGCSA-N 1 2 236.319 1.260 20 0 BDADLO CNc1cc(N2CCC[C@@](C)(O)CC2)[nH+]cn1 ZINC000230384780 641050054 /nfs/dbraw/zinc/05/00/54/641050054.db2.gz KBMQPPYMDATORU-GFCCVEGCSA-N 1 2 236.319 1.260 20 0 BDADLO CNc1cc(N(C)CC2CCC2)nc[nH+]1 ZINC000087828521 641058430 /nfs/dbraw/zinc/05/84/30/641058430.db2.gz PSMBWRRPXKIFGF-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CNc1cc(N(C)CC2CCC2)[nH+]cn1 ZINC000087828521 641058433 /nfs/dbraw/zinc/05/84/33/641058433.db2.gz PSMBWRRPXKIFGF-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nocc1C ZINC000934105247 641068837 /nfs/dbraw/zinc/06/88/37/641068837.db2.gz NLZOKXFEWBHJFS-MNOVXSKESA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nocc1C ZINC000934105247 641068845 /nfs/dbraw/zinc/06/88/45/641068845.db2.gz NLZOKXFEWBHJFS-MNOVXSKESA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ncc(C)cn1 ZINC000934116463 641083957 /nfs/dbraw/zinc/08/39/57/641083957.db2.gz WDRVWVSMSAQEOY-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ncc(C)cn1 ZINC000934116463 641083961 /nfs/dbraw/zinc/08/39/61/641083961.db2.gz WDRVWVSMSAQEOY-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO CCCCC1([NH2+]Cc2nnn(C)n2)CC1 ZINC000934204090 641101525 /nfs/dbraw/zinc/10/15/25/641101525.db2.gz YFGMPJNWVDMDQH-UHFFFAOYSA-N 1 2 209.297 1.023 20 0 BDADLO C[C@H]1CSCCC[N@@H+]1Cc1nncs1 ZINC000934296453 641118814 /nfs/dbraw/zinc/11/88/14/641118814.db2.gz HUOLJOOSZDCQOH-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CSCCC[N@H+]1Cc1nncs1 ZINC000934296453 641118817 /nfs/dbraw/zinc/11/88/17/641118817.db2.gz HUOLJOOSZDCQOH-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000934315107 641123901 /nfs/dbraw/zinc/12/39/01/641123901.db2.gz GJJYDFNXLCRHTF-ZYHUDNBSSA-N 1 2 249.314 1.151 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000934315107 641123907 /nfs/dbraw/zinc/12/39/07/641123907.db2.gz GJJYDFNXLCRHTF-ZYHUDNBSSA-N 1 2 249.314 1.151 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)C2CC2)c1C ZINC000050449329 641151305 /nfs/dbraw/zinc/15/13/05/641151305.db2.gz YYBXSIROSGDMER-UHFFFAOYSA-N 1 2 234.299 1.733 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@@H]2C)c1C ZINC000050449152 641153450 /nfs/dbraw/zinc/15/34/50/641153450.db2.gz CWYOLJQISCJMKZ-KWQFWETISA-N 1 2 248.326 1.979 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)CC(C)(C)O1 ZINC000231297469 641156167 /nfs/dbraw/zinc/15/61/67/641156167.db2.gz ZNDBQFUHIZFREZ-SECBINFHSA-N 1 2 236.319 1.058 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)CC(C)(C)O1 ZINC000231297469 641156170 /nfs/dbraw/zinc/15/61/70/641156170.db2.gz ZNDBQFUHIZFREZ-SECBINFHSA-N 1 2 236.319 1.058 20 0 BDADLO CC[N@H+](Cc1ccccn1)Cc1cnc(N)cn1 ZINC000231301529 641159775 /nfs/dbraw/zinc/15/97/75/641159775.db2.gz MZIUVUIXSQAOBR-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO CC[N@@H+](Cc1ccccn1)Cc1cnc(N)cn1 ZINC000231301529 641159782 /nfs/dbraw/zinc/15/97/82/641159782.db2.gz MZIUVUIXSQAOBR-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)n1 ZINC000934563279 641196118 /nfs/dbraw/zinc/19/61/18/641196118.db2.gz FERJJVTUCUSMSV-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)n1 ZINC000934563279 641196124 /nfs/dbraw/zinc/19/61/24/641196124.db2.gz FERJJVTUCUSMSV-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934567943 641200892 /nfs/dbraw/zinc/20/08/92/641200892.db2.gz SXYZARFHTNCGRW-DTWKUNHWSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncsc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934567943 641200897 /nfs/dbraw/zinc/20/08/97/641200897.db2.gz SXYZARFHTNCGRW-DTWKUNHWSA-N 1 2 230.308 1.356 20 0 BDADLO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934584358 641210072 /nfs/dbraw/zinc/21/00/72/641210072.db2.gz XIBJIFGWCIGNAY-ZJUUUORDSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)CC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934584358 641210075 /nfs/dbraw/zinc/21/00/75/641210075.db2.gz XIBJIFGWCIGNAY-ZJUUUORDSA-N 1 2 247.310 1.123 20 0 BDADLO O=C(NC[C@H](O)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000934653189 641233816 /nfs/dbraw/zinc/23/38/16/641233816.db2.gz GAGVVBCZKTWEAQ-LBPRGKRZSA-N 1 2 245.282 1.064 20 0 BDADLO CCc1nc(C[NH2+]C(C)(C)CSC)no1 ZINC000934673524 641242841 /nfs/dbraw/zinc/24/28/41/641242841.db2.gz GTIUICYMAYCJIV-UHFFFAOYSA-N 1 2 229.349 1.863 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)noc2C2CC2)C1 ZINC001030690693 641242842 /nfs/dbraw/zinc/24/28/42/641242842.db2.gz ZYVHTWJLTWHNHS-UHFFFAOYSA-N 1 2 249.314 1.294 20 0 BDADLO C[C@]12CSC[C@H]1C[N@H+](Cc1cnsn1)C2 ZINC000934767419 641265143 /nfs/dbraw/zinc/26/51/43/641265143.db2.gz SLCCAXGZCOWFQC-SCZZXKLOSA-N 1 2 241.385 1.723 20 0 BDADLO C[C@]12CSC[C@H]1C[N@@H+](Cc1cnsn1)C2 ZINC000934767419 641265146 /nfs/dbraw/zinc/26/51/46/641265146.db2.gz SLCCAXGZCOWFQC-SCZZXKLOSA-N 1 2 241.385 1.723 20 0 BDADLO CC(C)(CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934984055 641313467 /nfs/dbraw/zinc/31/34/67/641313467.db2.gz IZMCLORTQLCDJB-UHFFFAOYSA-N 1 2 247.298 1.311 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C3CC3)CCC2)C1 ZINC001030749009 641332278 /nfs/dbraw/zinc/33/22/78/641332278.db2.gz NFDHDTZGHMIKFY-UHFFFAOYSA-N 1 2 222.332 1.387 20 0 BDADLO CC[NH+]1CC(NC(=O)C(C)(C)C2CCC2)C1 ZINC001030752132 641335629 /nfs/dbraw/zinc/33/56/29/641335629.db2.gz IAQSKYLVTDCMMQ-UHFFFAOYSA-N 1 2 224.348 1.633 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001030804534 641360135 /nfs/dbraw/zinc/36/01/35/641360135.db2.gz YGLQQUBWCWRLQZ-LBPRGKRZSA-N 1 2 208.305 1.163 20 0 BDADLO C[C@@]1(C(=O)NC2C[NH+](CCCF)C2)C=CCC1 ZINC001030803575 641360292 /nfs/dbraw/zinc/36/02/92/641360292.db2.gz UMCMQHOUQBIRQU-CYBMUJFWSA-N 1 2 240.322 1.503 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccoc2C2CC2)C1 ZINC001030851643 641383089 /nfs/dbraw/zinc/38/30/89/641383089.db2.gz WDWWAHAEHJZWPX-UHFFFAOYSA-N 1 2 234.299 1.591 20 0 BDADLO CC[C@H]1COCC[N@@H+]1C/C(C)=C/C(=O)OC ZINC000929658936 641388661 /nfs/dbraw/zinc/38/86/61/641388661.db2.gz FBPNYZKYNSETEH-HUYFXPKMSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1COCC[N@H+]1C/C(C)=C/C(=O)OC ZINC000929658936 641388669 /nfs/dbraw/zinc/38/86/69/641388669.db2.gz FBPNYZKYNSETEH-HUYFXPKMSA-N 1 2 227.304 1.217 20 0 BDADLO C[C@@H](c1nc(-c2ccc(=O)[nH]c2)no1)[NH+](C)C ZINC000350802667 641427749 /nfs/dbraw/zinc/42/77/49/641427749.db2.gz XNFXJPLZAGQELL-ZETCQYMHSA-N 1 2 234.259 1.460 20 0 BDADLO CC(Cl)(Cl)C(=O)NC12CC[NH+](CC1)C2 ZINC000913632185 641430887 /nfs/dbraw/zinc/43/08/87/641430887.db2.gz SOQVHRCEPLXGLI-UHFFFAOYSA-N 1 2 237.130 1.145 20 0 BDADLO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1c[nH]nn1 ZINC000935595847 641438437 /nfs/dbraw/zinc/43/84/37/641438437.db2.gz UHPPTVSQSLDQSV-MRVPVSSYSA-N 1 2 248.290 1.153 20 0 BDADLO C[N@H+](C[C@@H]1CCCO1)CN1CCSC1=O ZINC000151725668 641459308 /nfs/dbraw/zinc/45/93/08/641459308.db2.gz VSZCYNGMKJGLCH-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO C[N@@H+](C[C@@H]1CCCO1)CN1CCSC1=O ZINC000151725668 641459314 /nfs/dbraw/zinc/45/93/14/641459314.db2.gz VSZCYNGMKJGLCH-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCCC1CC1 ZINC000913754201 641467342 /nfs/dbraw/zinc/46/73/42/641467342.db2.gz IXNPTYBUOMLWSN-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000913797846 641479748 /nfs/dbraw/zinc/47/97/48/641479748.db2.gz FQGUFLYEJUTAQO-ZMLRMANQSA-N 1 2 249.314 1.026 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC=CC1 ZINC000935923425 641503409 /nfs/dbraw/zinc/50/34/09/641503409.db2.gz SDCKFHMZTIONLL-NSHDSACASA-N 1 2 245.326 1.670 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000936024602 641519979 /nfs/dbraw/zinc/51/99/79/641519979.db2.gz NQQMOTZSNXBOIB-ZSBIGDGJSA-N 1 2 247.342 1.863 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cc(C3CC3)no2)C1 ZINC001031034510 641604695 /nfs/dbraw/zinc/60/46/95/641604695.db2.gz SYQHQZHJRWZNSH-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO CSCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000152583339 641620118 /nfs/dbraw/zinc/62/01/18/641620118.db2.gz QQUGULXVFIJEEL-UHFFFAOYSA-N 1 2 233.768 1.868 20 0 BDADLO CSCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000152583339 641620122 /nfs/dbraw/zinc/62/01/22/641620122.db2.gz QQUGULXVFIJEEL-UHFFFAOYSA-N 1 2 233.768 1.868 20 0 BDADLO CC[NH2+][C@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000158460173 641636164 /nfs/dbraw/zinc/63/61/64/641636164.db2.gz LSBQYUILPFWVGD-CYBMUJFWSA-N 1 2 239.290 1.909 20 0 BDADLO CC1(C)C[C@@]1(C)CNC(=O)Cn1cc[nH+]c1 ZINC000914380532 641655516 /nfs/dbraw/zinc/65/55/16/641655516.db2.gz VBHXSUGXWLMCIE-LBPRGKRZSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCCO2)c(N(C)C)[nH+]1 ZINC000152862463 641659320 /nfs/dbraw/zinc/65/93/20/641659320.db2.gz UDKBOIPZYUSLOP-LLVKDONJSA-N 1 2 249.314 1.574 20 0 BDADLO CN(C)c1noc([C@H]([NH3+])c2ccccc2)n1 ZINC000159088769 641663889 /nfs/dbraw/zinc/66/38/89/641663889.db2.gz IPYZVIOXCRDRBM-SECBINFHSA-N 1 2 218.260 1.184 20 0 BDADLO COC[C@H]([NH3+])c1nc(Cc2ccccc2)no1 ZINC000159326868 641677908 /nfs/dbraw/zinc/67/79/08/641677908.db2.gz IRQKCGOJHDIJFJ-JTQLQIEISA-N 1 2 233.271 1.307 20 0 BDADLO CCC1=C(C(=O)NCCn2cc[nH+]c2)CCCO1 ZINC000188655833 641765930 /nfs/dbraw/zinc/76/59/30/641765930.db2.gz BTUUDOYUWYLFBT-UHFFFAOYSA-N 1 2 249.314 1.474 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031179590 641779883 /nfs/dbraw/zinc/77/98/83/641779883.db2.gz GUWMHYPTQREGCT-WCQYABFASA-N 1 2 242.338 1.583 20 0 BDADLO COC[C@@H](C)Cc1noc([C@H](C)[NH+](C)C)n1 ZINC000351475598 641827386 /nfs/dbraw/zinc/82/73/86/641827386.db2.gz KUXHARKIQDZMIG-IUCAKERBSA-N 1 2 227.308 1.517 20 0 BDADLO CCc1oc(C(=O)NC2C[NH+](CC)C2)cc1C ZINC001031245772 641852932 /nfs/dbraw/zinc/85/29/32/641852932.db2.gz KEYOARXDDZQYAA-UHFFFAOYSA-N 1 2 236.315 1.584 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001031265832 641869755 /nfs/dbraw/zinc/86/97/55/641869755.db2.gz PJJPRALDABKNOR-UHFFFAOYSA-N 1 2 249.358 1.647 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cc(Cl)no2)C1 ZINC001031291497 641874429 /nfs/dbraw/zinc/87/44/29/641874429.db2.gz ZOIWGIBQYBIOAA-UHFFFAOYSA-N 1 2 243.694 1.152 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(OC)c2)C1 ZINC001031301810 641875451 /nfs/dbraw/zinc/87/54/51/641875451.db2.gz NEAUTMQOVIDIII-UHFFFAOYSA-N 1 2 234.299 1.129 20 0 BDADLO Cc1cc(N)nc(SCc2nncs2)[nH+]1 ZINC000916177391 641915412 /nfs/dbraw/zinc/91/54/12/641915412.db2.gz STGFEXGXZYCZMJ-UHFFFAOYSA-N 1 2 239.329 1.511 20 0 BDADLO CC[C@H](C)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000192103025 641962413 /nfs/dbraw/zinc/96/24/13/641962413.db2.gz LWVJGYRQNPLWOD-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CCc1ccc(C(=O)NC2C[NH+](CC)C2)cc1 ZINC001031338687 641977668 /nfs/dbraw/zinc/97/76/68/641977668.db2.gz OQSRGABRSNPGNT-UHFFFAOYSA-N 1 2 232.327 1.683 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001031422816 642119052 /nfs/dbraw/zinc/11/90/52/642119052.db2.gz OYTPIUDPPYEATM-CQSZACIVSA-N 1 2 236.359 1.943 20 0 BDADLO CNc1cc(N[C@H](C)Cn2cccn2)nc[nH+]1 ZINC000130594183 642230528 /nfs/dbraw/zinc/23/05/28/642230528.db2.gz XMWQAKXAZUCJEQ-SECBINFHSA-N 1 2 232.291 1.215 20 0 BDADLO CNc1cc(N[C@H](C)Cn2cccn2)[nH+]cn1 ZINC000130594183 642230546 /nfs/dbraw/zinc/23/05/46/642230546.db2.gz XMWQAKXAZUCJEQ-SECBINFHSA-N 1 2 232.291 1.215 20 0 BDADLO CCc1nnc(SCc2ccc(N)[nH+]c2)o1 ZINC000918713539 642256506 /nfs/dbraw/zinc/25/65/06/642256506.db2.gz KBINOJWTBLLHQR-UHFFFAOYSA-N 1 2 236.300 1.902 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CC=CCC1 ZINC001031545714 642291430 /nfs/dbraw/zinc/29/14/30/642291430.db2.gz SNFIZHJEAPIOFC-GFCCVEGCSA-N 1 2 240.322 1.360 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCc2cn[nH]c2C1 ZINC000930069610 642328413 /nfs/dbraw/zinc/32/84/13/642328413.db2.gz PYAUZYCLHIWGEK-XCVCLJGOSA-N 1 2 221.304 1.361 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCc2cn[nH]c2C1 ZINC000930069610 642328420 /nfs/dbraw/zinc/32/84/20/642328420.db2.gz PYAUZYCLHIWGEK-XCVCLJGOSA-N 1 2 221.304 1.361 20 0 BDADLO O=[N+]([O-])c1cccc([C@H](O)Cn2cc[nH+]c2)c1 ZINC000305172943 642646140 /nfs/dbraw/zinc/64/61/40/642646140.db2.gz KIFIQVINMIQQHO-LLVKDONJSA-N 1 2 233.227 1.525 20 0 BDADLO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000305733105 642683360 /nfs/dbraw/zinc/68/33/60/642683360.db2.gz KZYWCPXYYCDWIN-MWLCHTKSSA-N 1 2 235.287 1.605 20 0 BDADLO Cc1nc(N[C@H](C)Cc2ccco2)nc(N)[nH+]1 ZINC000306093071 642721444 /nfs/dbraw/zinc/72/14/44/642721444.db2.gz MOYPRCSYOFWFRC-SSDOTTSWSA-N 1 2 233.275 1.398 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)Cc2ccco2)[nH+]1 ZINC000306093071 642721448 /nfs/dbraw/zinc/72/14/48/642721448.db2.gz MOYPRCSYOFWFRC-SSDOTTSWSA-N 1 2 233.275 1.398 20 0 BDADLO C[C@@H](CC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000068004879 642728695 /nfs/dbraw/zinc/72/86/95/642728695.db2.gz FHTGCAXNLHKEQR-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CC[N@H+](CCC(=O)OC)CC(=O)OCC(C)C ZINC000181440666 642871995 /nfs/dbraw/zinc/87/19/95/642871995.db2.gz SJUVJXWXGWFOEH-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO CC[N@@H+](CCC(=O)OC)CC(=O)OCC(C)C ZINC000181440666 642872000 /nfs/dbraw/zinc/87/20/00/642872000.db2.gz SJUVJXWXGWFOEH-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H](C)C1CC1 ZINC000181636556 642889946 /nfs/dbraw/zinc/88/99/46/642889946.db2.gz IMZYCVCBBKMHIV-MNOVXSKESA-N 1 2 241.331 1.296 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccncc1 ZINC000069794724 642907576 /nfs/dbraw/zinc/90/75/76/642907576.db2.gz ITUPAVOTZUAAHN-UHFFFAOYSA-N 1 2 204.233 1.063 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069890321 642927823 /nfs/dbraw/zinc/92/78/23/642927823.db2.gz HFHFJCABGKOHIK-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)C[C@@H]1C ZINC000941691113 643116612 /nfs/dbraw/zinc/11/66/12/643116612.db2.gz RSYBVSQABBAKDY-CABZTGNLSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)C[C@@H]1C ZINC000941691113 643116617 /nfs/dbraw/zinc/11/66/17/643116617.db2.gz RSYBVSQABBAKDY-CABZTGNLSA-N 1 2 237.303 1.021 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)CCO1 ZINC000932337808 643135375 /nfs/dbraw/zinc/13/53/75/643135375.db2.gz VBUZNLIWLYCAHK-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)CCO1 ZINC000932337808 643135379 /nfs/dbraw/zinc/13/53/79/643135379.db2.gz VBUZNLIWLYCAHK-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO O=C(/C=C\c1cccs1)NCCc1[nH]cc[nH+]1 ZINC000254977965 643194936 /nfs/dbraw/zinc/19/49/36/643194936.db2.gz VYMNXSCAKIVGJW-ARJAWSKDSA-N 1 2 247.323 1.843 20 0 BDADLO Cc1nc(NCCc2ccnn2C)cc[nH+]1 ZINC000184151734 643197166 /nfs/dbraw/zinc/19/71/66/643197166.db2.gz ZWMWHXWDEQWOLS-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO Cn1cccc1CNC(=O)CCCn1cc[nH+]c1 ZINC000075352278 643250473 /nfs/dbraw/zinc/25/04/73/643250473.db2.gz MCRGPCJKODKQFS-UHFFFAOYSA-N 1 2 246.314 1.318 20 0 BDADLO CS/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000083612115 643295666 /nfs/dbraw/zinc/29/56/66/643295666.db2.gz DGAJRNFYGFNNNL-YVGDHZEHSA-N 1 2 239.344 1.512 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000082644684 643358656 /nfs/dbraw/zinc/35/86/56/643358656.db2.gz ATJWHQNPTBBVEI-LLVKDONJSA-N 1 2 222.288 1.784 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000082644684 643358659 /nfs/dbraw/zinc/35/86/59/643358659.db2.gz ATJWHQNPTBBVEI-LLVKDONJSA-N 1 2 222.288 1.784 20 0 BDADLO CN1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000307198162 643418347 /nfs/dbraw/zinc/41/83/47/643418347.db2.gz XKYGRRKEBBOFHZ-QMMMGPOBSA-N 1 2 223.147 1.428 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000307568968 643516202 /nfs/dbraw/zinc/51/62/02/643516202.db2.gz VCRKIUVANSAAQI-SFYZADRCSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000307568968 643516206 /nfs/dbraw/zinc/51/62/06/643516206.db2.gz VCRKIUVANSAAQI-SFYZADRCSA-N 1 2 224.131 1.901 20 0 BDADLO CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000970921049 643619583 /nfs/dbraw/zinc/61/95/83/643619583.db2.gz OECWOELFKWXINZ-JQWIXIFHSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000970921049 643619589 /nfs/dbraw/zinc/61/95/89/643619589.db2.gz OECWOELFKWXINZ-JQWIXIFHSA-N 1 2 248.330 1.090 20 0 BDADLO CCCNc1cc(NCCCO)nc[nH+]1 ZINC000087808538 643674817 /nfs/dbraw/zinc/67/48/17/643674817.db2.gz TZYMNVGMHJUNTJ-UHFFFAOYSA-N 1 2 210.281 1.093 20 0 BDADLO CCCNc1cc(NCCCO)[nH+]cn1 ZINC000087808538 643674823 /nfs/dbraw/zinc/67/48/23/643674823.db2.gz TZYMNVGMHJUNTJ-UHFFFAOYSA-N 1 2 210.281 1.093 20 0 BDADLO C[N@H+](Cc1ccccc1)[C@H]1CCOC1=O ZINC000073692986 643851704 /nfs/dbraw/zinc/85/17/04/643851704.db2.gz XFRWPIOCEOZCMB-NSHDSACASA-N 1 2 205.257 1.434 20 0 BDADLO C[N@@H+](Cc1ccccc1)[C@H]1CCOC1=O ZINC000073692986 643851707 /nfs/dbraw/zinc/85/17/07/643851707.db2.gz XFRWPIOCEOZCMB-NSHDSACASA-N 1 2 205.257 1.434 20 0 BDADLO CC(F)(F)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922151047 643874035 /nfs/dbraw/zinc/87/40/35/643874035.db2.gz ZDOWHBPPFGBHBG-UHFFFAOYSA-N 1 2 202.204 1.532 20 0 BDADLO CCC[N@H+](CCO)Cc1nc(C(C)C)ns1 ZINC000929272130 643884516 /nfs/dbraw/zinc/88/45/16/643884516.db2.gz WZYXIJNHVLEISD-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO CCC[N@@H+](CCO)Cc1nc(C(C)C)ns1 ZINC000929272130 643884522 /nfs/dbraw/zinc/88/45/22/643884522.db2.gz WZYXIJNHVLEISD-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCCC23OCCO3)o1 ZINC000922260578 643926155 /nfs/dbraw/zinc/92/61/55/643926155.db2.gz ZYFKTVVEFQSJAF-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO C[C@H](C(=O)OCc1ccc[nH+]c1N)C1CC1 ZINC000922508669 644006040 /nfs/dbraw/zinc/00/60/40/644006040.db2.gz XMQXWUQQZOZOOC-QMMMGPOBSA-N 1 2 220.272 1.753 20 0 BDADLO CC[C@H](C)[C@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000922511632 644009421 /nfs/dbraw/zinc/00/94/21/644009421.db2.gz WIDJFPMVEUPLEI-WPRPVWTQSA-N 1 2 238.287 1.114 20 0 BDADLO CC(C)(C)OCC(=O)OCc1ccc[nH+]c1N ZINC000922590432 644038188 /nfs/dbraw/zinc/03/81/88/644038188.db2.gz KLGGRKQWARDYSW-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO C[C@@]1(C(=O)OCc2ccc[nH+]c2N)CCOC1 ZINC000922607613 644040707 /nfs/dbraw/zinc/04/07/07/644040707.db2.gz QHQVNTHKPFWODS-GFCCVEGCSA-N 1 2 236.271 1.134 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCc2ccc(N)[nH+]c2)CO1 ZINC000922630500 644045474 /nfs/dbraw/zinc/04/54/74/644045474.db2.gz PEXZRFKUQYXDSJ-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@H]1C[C@@H](C(=O)OCc2ccc[nH+]c2N)CO1 ZINC000922631948 644046162 /nfs/dbraw/zinc/04/61/62/644046162.db2.gz XTUHCZVHAONEEX-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO CC(C)[C@H](F)C(=O)OCc1ccc[nH+]c1N ZINC000922635243 644047328 /nfs/dbraw/zinc/04/73/28/644047328.db2.gz QUBFMQCLXUBYGM-VIFPVBQESA-N 1 2 226.251 1.701 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1cn(C)nn1 ZINC000922635113 644047643 /nfs/dbraw/zinc/04/76/43/644047643.db2.gz NJHRBVVQMBWTKH-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCC=CO1 ZINC000922675549 644066133 /nfs/dbraw/zinc/06/61/33/644066133.db2.gz NMGJGCFEIXJYQQ-SNVBAGLBSA-N 1 2 234.255 1.400 20 0 BDADLO CSC(C)(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922866092 644120461 /nfs/dbraw/zinc/12/04/61/644120461.db2.gz ZUADDONPGYFEID-UHFFFAOYSA-N 1 2 240.328 1.849 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000073990928 644154000 /nfs/dbraw/zinc/15/40/00/644154000.db2.gz TVHYOLSNACBKSK-TXEJJXNPSA-N 1 2 231.299 1.308 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923027200 644238464 /nfs/dbraw/zinc/23/84/64/644238464.db2.gz HLYIIXZIHBXULE-LBPRGKRZSA-N 1 2 235.331 1.909 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087620248 644499296 /nfs/dbraw/zinc/49/92/96/644499296.db2.gz DWKUCQPASJJGHD-MWLCHTKSSA-N 1 2 231.361 1.813 20 0 BDADLO C[C@H](CSC(C)(C)C)[NH2+]Cc1ncn(C)n1 ZINC000090969253 644608283 /nfs/dbraw/zinc/60/82/83/644608283.db2.gz VNPCBEBKXBGZOY-SECBINFHSA-N 1 2 242.392 1.825 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@H]2CCOC2=O)C[C@H]1OC ZINC000247887088 644654051 /nfs/dbraw/zinc/65/40/51/644654051.db2.gz DIKDFNDQRSBDGU-HBNTYKKESA-N 1 2 241.331 1.485 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250670128 644776604 /nfs/dbraw/zinc/77/66/04/644776604.db2.gz LMFRZFHRBVWGPY-VLEAKVRGSA-N 1 2 229.320 1.484 20 0 BDADLO CC1(C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787022058 644781869 /nfs/dbraw/zinc/78/18/69/644781869.db2.gz KWWLHXIRWSNHFB-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000792264944 644795752 /nfs/dbraw/zinc/79/57/52/644795752.db2.gz ZNNIYINDSWOVED-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000792264944 644795757 /nfs/dbraw/zinc/79/57/57/644795757.db2.gz ZNNIYINDSWOVED-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO C[C@H](C(=O)OCCc1c[nH+]cn1C)c1ccco1 ZINC000793243318 644801381 /nfs/dbraw/zinc/80/13/81/644801381.db2.gz UGNUOFATRYSXND-JTQLQIEISA-N 1 2 248.282 1.903 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@H]1CCCOC1 ZINC000796747078 644812197 /nfs/dbraw/zinc/81/21/97/644812197.db2.gz WQTRPRFFEXGZIB-SNVBAGLBSA-N 1 2 238.287 1.280 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252126252 644836762 /nfs/dbraw/zinc/83/67/62/644836762.db2.gz LLJNSLQUHZNHRY-JXUBOQSCSA-N 1 2 215.293 1.094 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000809564998 644891228 /nfs/dbraw/zinc/89/12/28/644891228.db2.gz PYPWHAAYAOMCST-ZDUSSCGKSA-N 1 2 245.326 1.407 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000809564998 644891230 /nfs/dbraw/zinc/89/12/30/644891230.db2.gz PYPWHAAYAOMCST-ZDUSSCGKSA-N 1 2 245.326 1.407 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000809564997 644891811 /nfs/dbraw/zinc/89/18/11/644891811.db2.gz PYPWHAAYAOMCST-CYBMUJFWSA-N 1 2 245.326 1.407 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000809564997 644891817 /nfs/dbraw/zinc/89/18/17/644891817.db2.gz PYPWHAAYAOMCST-CYBMUJFWSA-N 1 2 245.326 1.407 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1C/C=C\Cl ZINC000812887538 644933798 /nfs/dbraw/zinc/93/37/98/644933798.db2.gz UIPZRZIVGVLEFH-WUWIAWFRSA-N 1 2 219.712 1.476 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1C/C=C\Cl ZINC000812887538 644933802 /nfs/dbraw/zinc/93/38/02/644933802.db2.gz UIPZRZIVGVLEFH-WUWIAWFRSA-N 1 2 219.712 1.476 20 0 BDADLO O=C(NOCCC1CC1)c1cccc2[nH+]ccn21 ZINC000817441653 644980459 /nfs/dbraw/zinc/98/04/59/644980459.db2.gz JMUNVDFLNKUMKX-UHFFFAOYSA-N 1 2 245.282 1.796 20 0 BDADLO COCCC1C[NH+](Cc2cnc(Cl)n2C)C1 ZINC000826894062 645068884 /nfs/dbraw/zinc/06/88/84/645068884.db2.gz INKOVAYLPQWBBR-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1CCSCC1 ZINC000827650140 645082796 /nfs/dbraw/zinc/08/27/96/645082796.db2.gz NXRQMDLQIKOLAS-UHFFFAOYSA-N 1 2 239.344 1.212 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCC2(OC)OC)co1 ZINC000926536073 645264315 /nfs/dbraw/zinc/26/43/15/645264315.db2.gz JAIUARXFZDYISI-SNVBAGLBSA-N 1 2 240.303 1.478 20 0 BDADLO CC[N@H+](Cn1nc(C)n(C)c1=O)[C@@H](C)C(C)C ZINC000844688851 645342111 /nfs/dbraw/zinc/34/21/11/645342111.db2.gz MTNOJWKQGQLVKF-JTQLQIEISA-N 1 2 240.351 1.214 20 0 BDADLO CC[N@@H+](Cn1nc(C)n(C)c1=O)[C@@H](C)C(C)C ZINC000844688851 645342115 /nfs/dbraw/zinc/34/21/15/645342115.db2.gz MTNOJWKQGQLVKF-JTQLQIEISA-N 1 2 240.351 1.214 20 0 BDADLO CCCOCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845464213 645365117 /nfs/dbraw/zinc/36/51/17/645365117.db2.gz RKBOBCUJTSLLLK-LLVKDONJSA-N 1 2 240.303 1.804 20 0 BDADLO COC(=O)N(C)CC[NH2+][C@@H](C)c1ncco1 ZINC000926711755 645376365 /nfs/dbraw/zinc/37/63/65/645376365.db2.gz JTZAJZMZHFVEGW-QMMMGPOBSA-N 1 2 227.264 1.023 20 0 BDADLO CSCCONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846054383 645395276 /nfs/dbraw/zinc/39/52/76/645395276.db2.gz MIAUKNXSGOPWQF-VIFPVBQESA-N 1 2 243.332 1.245 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncnc2)C2(CCC2)CO1 ZINC000846067880 645397129 /nfs/dbraw/zinc/39/71/29/645397129.db2.gz ZUXIAYKGCCDDDY-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncnc2)C2(CCC2)CO1 ZINC000846067880 645397131 /nfs/dbraw/zinc/39/71/31/645397131.db2.gz ZUXIAYKGCCDDDY-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)n(C)n1 ZINC000846066915 645398050 /nfs/dbraw/zinc/39/80/50/645398050.db2.gz IZMUUDFUTKWSCT-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)n(C)n1 ZINC000846066915 645398056 /nfs/dbraw/zinc/39/80/56/645398056.db2.gz IZMUUDFUTKWSCT-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cn1c(C[N@@H+]2CCC[C@H](O)C2)cnc1Cl ZINC000848876010 645442010 /nfs/dbraw/zinc/44/20/10/645442010.db2.gz FNTVVFQCVFYMBO-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(C[N@H+]2CCC[C@H](O)C2)cnc1Cl ZINC000848876010 645442019 /nfs/dbraw/zinc/44/20/19/645442019.db2.gz FNTVVFQCVFYMBO-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000926818221 645444650 /nfs/dbraw/zinc/44/46/50/645444650.db2.gz XBDNVHHQDZDSIT-WCBMZHEXSA-N 1 2 247.302 1.760 20 0 BDADLO CC[C@@H]1COC[C@H]1[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000926825782 645446124 /nfs/dbraw/zinc/44/61/24/645446124.db2.gz VSXVQQDERYEQBS-BBBLOLIVSA-N 1 2 235.274 1.377 20 0 BDADLO CC[C@@H]1COC[C@H]1[N@H+]1CCO[C@H](C(F)F)C1 ZINC000926825782 645446127 /nfs/dbraw/zinc/44/61/27/645446127.db2.gz VSXVQQDERYEQBS-BBBLOLIVSA-N 1 2 235.274 1.377 20 0 BDADLO C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCOC1=O ZINC000852469489 645485429 /nfs/dbraw/zinc/48/54/29/645485429.db2.gz HIXGGGPOYYBLCV-TVYUQYBPSA-N 1 2 231.295 1.620 20 0 BDADLO CN(Cc1cccc(O)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000857466614 645568452 /nfs/dbraw/zinc/56/84/52/645568452.db2.gz APFDDXCQGQWYAG-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO CN(OCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000857475337 645572808 /nfs/dbraw/zinc/57/28/08/645572808.db2.gz HXTFJPUMRWGPJR-UHFFFAOYSA-N 1 2 245.282 1.542 20 0 BDADLO COc1ccc(F)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857478340 645573863 /nfs/dbraw/zinc/57/38/63/645573863.db2.gz INXOPENDSWVCHJ-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@]12C[C@H]1CCCC2 ZINC000927450991 645617681 /nfs/dbraw/zinc/61/76/81/645617681.db2.gz WGVAWKWXZRMVPI-OCCSQVGLSA-N 1 2 247.342 1.970 20 0 BDADLO CCCCOCC(=O)NCc1ccc(N)[nH+]c1 ZINC000927779304 645659289 /nfs/dbraw/zinc/65/92/89/645659289.db2.gz ZHEQJVBEWIATAH-UHFFFAOYSA-N 1 2 237.303 1.097 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000928038186 645679445 /nfs/dbraw/zinc/67/94/45/645679445.db2.gz CZAPMLWQMXVOED-RXGFPQBGSA-N 1 2 247.342 1.995 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC000928930415 645897239 /nfs/dbraw/zinc/89/72/39/645897239.db2.gz PADZXZQTARAXPO-AATRIKPKSA-N 1 2 241.722 1.990 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC000928930415 645897241 /nfs/dbraw/zinc/89/72/41/645897241.db2.gz PADZXZQTARAXPO-AATRIKPKSA-N 1 2 241.722 1.990 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC000928928997 645898038 /nfs/dbraw/zinc/89/80/38/645898038.db2.gz PZPBMCXINHUOJR-WAYWQWQTSA-N 1 2 241.722 1.990 20 0 BDADLO Cc1cnc(C(=O)N2CC[NH+](C)CC2)cc1C ZINC000929101503 645941695 /nfs/dbraw/zinc/94/16/95/645941695.db2.gz YMYJOJHIMQFEEL-UHFFFAOYSA-N 1 2 233.315 1.086 20 0 BDADLO O[C@@H](C[N@@H+]1Cc2cccnc2C1)C1(O)CCCC1 ZINC000930307576 645950819 /nfs/dbraw/zinc/95/08/19/645950819.db2.gz RBRIUWALEZEPSR-ZDUSSCGKSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@@H](C[N@H+]1Cc2cccnc2C1)C1(O)CCCC1 ZINC000930307576 645950827 /nfs/dbraw/zinc/95/08/27/645950827.db2.gz RBRIUWALEZEPSR-ZDUSSCGKSA-N 1 2 248.326 1.063 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929126778 645958996 /nfs/dbraw/zinc/95/89/96/645958996.db2.gz XWSJRBWNHULKEC-NNYUYHANSA-N 1 2 243.347 1.683 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929126778 645959002 /nfs/dbraw/zinc/95/90/02/645959002.db2.gz XWSJRBWNHULKEC-NNYUYHANSA-N 1 2 243.347 1.683 20 0 BDADLO C[C@H](c1nc([C@H]2CCCO2)no1)[NH+](C)C ZINC000923924839 645962914 /nfs/dbraw/zinc/96/29/14/645962914.db2.gz QBENQFCLRJWWSW-HTQZYQBOSA-N 1 2 211.265 1.544 20 0 BDADLO CCc1onc(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000929134023 645963439 /nfs/dbraw/zinc/96/34/39/645963439.db2.gz UEDGFZNKKVLYAB-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1onc(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000929134023 645963442 /nfs/dbraw/zinc/96/34/42/645963442.db2.gz UEDGFZNKKVLYAB-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO C[C@@]1(C(=O)NCCCn2cc[nH+]c2)C=CCC1 ZINC000929156642 645980148 /nfs/dbraw/zinc/98/01/48/645980148.db2.gz OIVIIPBJDVMSSS-CYBMUJFWSA-N 1 2 233.315 1.746 20 0 BDADLO CCN(C)c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000924118117 645985929 /nfs/dbraw/zinc/98/59/29/645985929.db2.gz QNBUKGVGZJGTES-HTQZYQBOSA-N 1 2 233.275 1.520 20 0 BDADLO Cc1nnsc1[C@H](C)N1CC[NH+](C)CC1 ZINC000929233485 646005511 /nfs/dbraw/zinc/00/55/11/646005511.db2.gz HLKMBUNCBVRVDC-VIFPVBQESA-N 1 2 226.349 1.155 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000929256603 646039121 /nfs/dbraw/zinc/03/91/21/646039121.db2.gz DWPQQAGNHRCKSE-IJLUTSLNSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000929256603 646039129 /nfs/dbraw/zinc/03/91/29/646039129.db2.gz DWPQQAGNHRCKSE-IJLUTSLNSA-N 1 2 243.347 1.685 20 0 BDADLO OCC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000929266430 646045266 /nfs/dbraw/zinc/04/52/66/646045266.db2.gz MBLDJGQNTAEKIH-UHFFFAOYSA-N 1 2 242.269 1.564 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2nonc2C)ccn1 ZINC000924626908 646082295 /nfs/dbraw/zinc/08/22/95/646082295.db2.gz BKOUVKPYMPNAGR-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO C[N@H+](CCO[C@@H]1CCOC1)Cc1cscn1 ZINC000929342025 646088524 /nfs/dbraw/zinc/08/85/24/646088524.db2.gz BLVCGXMXTHSYRZ-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO C[N@@H+](CCO[C@@H]1CCOC1)Cc1cscn1 ZINC000929342025 646088529 /nfs/dbraw/zinc/08/85/29/646088529.db2.gz BLVCGXMXTHSYRZ-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000929347035 646091321 /nfs/dbraw/zinc/09/13/21/646091321.db2.gz AUUVXFJSNXDWPH-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000929347035 646091329 /nfs/dbraw/zinc/09/13/29/646091329.db2.gz AUUVXFJSNXDWPH-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO CC[S@](=O)CC[NH2+][C@@H](C)c1ncco1 ZINC000925043536 646165622 /nfs/dbraw/zinc/16/56/22/646165622.db2.gz IUMILDBZFDZHBZ-RTHLEPHNSA-N 1 2 216.306 1.094 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000929521464 646170776 /nfs/dbraw/zinc/17/07/76/646170776.db2.gz MBEVKDPCLMBETM-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nsc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000929521464 646170785 /nfs/dbraw/zinc/17/07/85/646170785.db2.gz MBEVKDPCLMBETM-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929594542 646190270 /nfs/dbraw/zinc/19/02/70/646190270.db2.gz FQTYNBWUKBAVPG-DTWKUNHWSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929594542 646190276 /nfs/dbraw/zinc/19/02/76/646190276.db2.gz FQTYNBWUKBAVPG-DTWKUNHWSA-N 1 2 227.333 1.273 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000929688462 646242478 /nfs/dbraw/zinc/24/24/78/646242478.db2.gz SSZNMUJTCIHBEV-ZDUSSCGKSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000929688462 646242483 /nfs/dbraw/zinc/24/24/83/646242483.db2.gz SSZNMUJTCIHBEV-ZDUSSCGKSA-N 1 2 247.342 1.361 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CCC=CCC1 ZINC000925385763 646255903 /nfs/dbraw/zinc/25/59/03/646255903.db2.gz RHHVIFLULNYXBZ-UHFFFAOYSA-N 1 2 219.288 1.567 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@@H](C)[C@H]2C)s1 ZINC000929784812 646311276 /nfs/dbraw/zinc/31/12/76/646311276.db2.gz DQZKETSHEDLHGU-HTQZYQBOSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@@H](C)[C@H]2C)s1 ZINC000929784812 646311283 /nfs/dbraw/zinc/31/12/83/646311283.db2.gz DQZKETSHEDLHGU-HTQZYQBOSA-N 1 2 227.333 1.777 20 0 BDADLO c1nnc(C[N@@H+]2CCC3(CCC3)C2)s1 ZINC000929828116 646344793 /nfs/dbraw/zinc/34/47/93/646344793.db2.gz HLMDWZXEGDGXGK-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO c1nnc(C[N@H+]2CCC3(CCC3)C2)s1 ZINC000929828116 646344795 /nfs/dbraw/zinc/34/47/95/646344795.db2.gz HLMDWZXEGDGXGK-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C(/C)COC ZINC000929972421 646382444 /nfs/dbraw/zinc/38/24/44/646382444.db2.gz DDEMESXGUDYNLO-BRNRAETOSA-N 1 2 229.320 1.463 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C(/C)COC ZINC000929972421 646382449 /nfs/dbraw/zinc/38/24/49/646382449.db2.gz DDEMESXGUDYNLO-BRNRAETOSA-N 1 2 229.320 1.463 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC000930058289 646415445 /nfs/dbraw/zinc/41/54/45/646415445.db2.gz MPGHHINWJBCRLO-MRVPVSSYSA-N 1 2 241.316 1.066 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1nncs1 ZINC000930058289 646415450 /nfs/dbraw/zinc/41/54/50/646415450.db2.gz MPGHHINWJBCRLO-MRVPVSSYSA-N 1 2 241.316 1.066 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C2CC2)CCC1 ZINC000925716883 646440367 /nfs/dbraw/zinc/44/03/67/646440367.db2.gz RPUZDCKCANPNGM-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000930129634 646452764 /nfs/dbraw/zinc/45/27/64/646452764.db2.gz ABHAWZNMKLTBMV-VSQXVHSFSA-N 1 2 239.315 1.217 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000930129634 646452768 /nfs/dbraw/zinc/45/27/68/646452768.db2.gz ABHAWZNMKLTBMV-VSQXVHSFSA-N 1 2 239.315 1.217 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@H](CO)CC(F)F ZINC000926286073 646611404 /nfs/dbraw/zinc/61/14/04/646611404.db2.gz XUUGROHPCCSWQI-FSPLSTOPSA-N 1 2 235.234 1.045 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724708662 711609461 /nfs/dbraw/zinc/60/94/61/711609461.db2.gz QQKVMENYHVZHRO-SFYZADRCSA-N 1 2 220.263 1.227 20 0 BDADLO CC(C)CN(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724726624 711609731 /nfs/dbraw/zinc/60/97/31/711609731.db2.gz DWZNDGDLSKKIPO-SSDOTTSWSA-N 1 2 208.252 1.083 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccccc1)C(F)F ZINC000724729118 711609894 /nfs/dbraw/zinc/60/98/94/711609894.db2.gz CSNFYXXUPBXEMB-QMMMGPOBSA-N 1 2 214.215 1.608 20 0 BDADLO CN(C(=O)C[C@H]([NH3+])C(F)F)C1CCCCC1 ZINC000724753738 711610840 /nfs/dbraw/zinc/61/08/40/711610840.db2.gz YGFGJQCNQFWBMI-VIFPVBQESA-N 1 2 234.290 1.760 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1C ZINC000724759546 711610656 /nfs/dbraw/zinc/61/06/56/711610656.db2.gz QXPDHQKGRIEDEP-KYXWUPHJSA-N 1 2 248.317 1.910 20 0 BDADLO CCC[C@@H](OC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910316 711783827 /nfs/dbraw/zinc/78/38/27/711783827.db2.gz PXYZLMJJWJFFNR-SNVBAGLBSA-N 1 2 239.319 1.458 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898505000 711801782 /nfs/dbraw/zinc/80/17/82/711801782.db2.gz WRBFFSVFINMIFY-IJLUTSLNSA-N 1 2 242.338 1.583 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898505000 711801783 /nfs/dbraw/zinc/80/17/83/711801783.db2.gz WRBFFSVFINMIFY-IJLUTSLNSA-N 1 2 242.338 1.583 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706181913 712142066 /nfs/dbraw/zinc/14/20/66/712142066.db2.gz CICOHDXRFZTVFF-PSASIEDQSA-N 1 2 243.738 1.276 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714384056 712487418 /nfs/dbraw/zinc/48/74/18/712487418.db2.gz WWXLPYFSPHYOCH-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714384056 712487419 /nfs/dbraw/zinc/48/74/19/712487419.db2.gz WWXLPYFSPHYOCH-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO OCC1([NH2+]CC(F)(F)C(F)F)CCCC1 ZINC000379810291 712605733 /nfs/dbraw/zinc/60/57/33/712605733.db2.gz OBTXSUAMZYAYGM-UHFFFAOYSA-N 1 2 229.217 1.782 20 0 BDADLO Fc1ccc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000379913522 712624882 /nfs/dbraw/zinc/62/48/82/712624882.db2.gz AESVKPFIZSTFMN-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ncn(C)n1 ZINC000380016459 712670264 /nfs/dbraw/zinc/67/02/64/712670264.db2.gz NIFLILDLEATXAR-BQBZGAKWSA-N 1 2 249.145 1.660 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000720373052 712836791 /nfs/dbraw/zinc/83/67/91/712836791.db2.gz KKVJYPSCGYQLMF-SNVBAGLBSA-N 1 2 208.261 1.476 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000720373052 712836794 /nfs/dbraw/zinc/83/67/94/712836794.db2.gz KKVJYPSCGYQLMF-SNVBAGLBSA-N 1 2 208.261 1.476 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982958 712896650 /nfs/dbraw/zinc/89/66/50/712896650.db2.gz GFUUQMZFKUTWJM-QWRGUYRKSA-N 1 2 228.311 1.335 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982958 712896651 /nfs/dbraw/zinc/89/66/51/712896651.db2.gz GFUUQMZFKUTWJM-QWRGUYRKSA-N 1 2 228.311 1.335 20 0 BDADLO CN(C)c1nc(C[NH2+]Cc2cn[nH]c2)cs1 ZINC000381318314 710622306 /nfs/dbraw/zinc/62/23/06/710622306.db2.gz NWFNQLGQQRORAF-UHFFFAOYSA-N 1 2 237.332 1.222 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000381365389 710627889 /nfs/dbraw/zinc/62/78/89/710627889.db2.gz GSFHXHCKWRTWGG-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)C1(O)C[NH+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000381456824 710638519 /nfs/dbraw/zinc/63/85/19/710638519.db2.gz IQEQXIFSQPAJLS-MRVPVSSYSA-N 1 2 241.253 1.002 20 0 BDADLO CC(C)(F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000393741289 710671507 /nfs/dbraw/zinc/67/15/07/710671507.db2.gz WSUURAFEFWARBF-UHFFFAOYSA-N 1 2 214.284 1.041 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001038598719 710697898 /nfs/dbraw/zinc/69/78/98/710697898.db2.gz XLCAKBQJJMMTDO-XXOAYGEJSA-N 1 2 242.750 1.585 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001038598719 710697901 /nfs/dbraw/zinc/69/79/01/710697901.db2.gz XLCAKBQJJMMTDO-XXOAYGEJSA-N 1 2 242.750 1.585 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000380387637 712900560 /nfs/dbraw/zinc/90/05/60/712900560.db2.gz ZUKARJVGOOVYJX-TUISVCKWSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000380387637 712900561 /nfs/dbraw/zinc/90/05/61/712900561.db2.gz ZUKARJVGOOVYJX-TUISVCKWSA-N 1 2 227.304 1.215 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001042434488 710782408 /nfs/dbraw/zinc/78/24/08/710782408.db2.gz KHWPCQNVXDIAEU-DGCLKSJQSA-N 1 2 236.359 1.751 20 0 BDADLO Cc1sccc1C[NH2+]Cc1cnn(C)n1 ZINC000382141573 710799255 /nfs/dbraw/zinc/79/92/55/710799255.db2.gz MVMVSHSBEKWJQZ-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001043427272 710806786 /nfs/dbraw/zinc/80/67/86/710806786.db2.gz PRGMEFZZGVEXKY-UHFFFAOYSA-N 1 2 247.342 1.475 20 0 BDADLO CC(C)[NH+]1CC(N(C)C(=O)c2nccs2)C1 ZINC001044083686 710818785 /nfs/dbraw/zinc/81/87/85/710818785.db2.gz OFYVYENTJYSZOF-UHFFFAOYSA-N 1 2 239.344 1.308 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000399781474 710912223 /nfs/dbraw/zinc/91/22/23/710912223.db2.gz OQFALOANIIHZEI-AEJSXWLSSA-N 1 2 220.320 1.999 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@@H](C)[C@@H]2C)[nH+]cn1 ZINC000399781474 710912227 /nfs/dbraw/zinc/91/22/27/710912227.db2.gz OQFALOANIIHZEI-AEJSXWLSSA-N 1 2 220.320 1.999 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)[nH+]cn2)CCS1 ZINC000133258214 710969853 /nfs/dbraw/zinc/96/98/53/710969853.db2.gz BUCBROTWAZMOPD-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)nc[nH+]2)CCS1 ZINC000133258214 710969856 /nfs/dbraw/zinc/96/98/56/710969856.db2.gz BUCBROTWAZMOPD-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO Cc1cc(N)ccc1C(=O)OCCn1cc[nH+]c1 ZINC000386270465 711026931 /nfs/dbraw/zinc/02/69/31/711026931.db2.gz ZEFNSQVSXHVKCX-UHFFFAOYSA-N 1 2 245.282 1.631 20 0 BDADLO CC[C@H](Nc1cc(NC)[nH+]cn1)[C@H](C)O ZINC000386768095 711037106 /nfs/dbraw/zinc/03/71/06/711037106.db2.gz JVIGZJKCXBPXQP-YUMQZZPRSA-N 1 2 210.281 1.090 20 0 BDADLO CC[C@H](Nc1cc(NC)nc[nH+]1)[C@H](C)O ZINC000386768095 711037111 /nfs/dbraw/zinc/03/71/11/711037111.db2.gz JVIGZJKCXBPXQP-YUMQZZPRSA-N 1 2 210.281 1.090 20 0 BDADLO CC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)[C@H](C)O ZINC000386898395 711038189 /nfs/dbraw/zinc/03/81/89/711038189.db2.gz LKGIGOMMMWNIAN-UTLUCORTSA-N 1 2 231.336 1.466 20 0 BDADLO CCC(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001069692958 711052350 /nfs/dbraw/zinc/05/23/50/711052350.db2.gz APDFVBZBXXCUMO-UHFFFAOYSA-N 1 2 248.330 1.596 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H](OC)C2CC2)nc[nH+]1 ZINC000388294123 711057270 /nfs/dbraw/zinc/05/72/70/711057270.db2.gz YQVOLXBSMDVVMP-UFBFGSQYSA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H](OC)C2CC2)[nH+]cn1 ZINC000388294123 711057273 /nfs/dbraw/zinc/05/72/73/711057273.db2.gz YQVOLXBSMDVVMP-UFBFGSQYSA-N 1 2 236.319 1.744 20 0 BDADLO Cc1csc(C[NH2+]Cc2cc(C)ncn2)n1 ZINC000390430120 711116739 /nfs/dbraw/zinc/11/67/39/711116739.db2.gz OWUBUFOAJNDJNH-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cn(C)cn1)C(F)(F)F ZINC000390576718 711126491 /nfs/dbraw/zinc/12/64/91/711126491.db2.gz WCQLCTKUOZHXJC-QMMMGPOBSA-N 1 2 237.225 1.087 20 0 BDADLO CNc1cc(NCc2ccnc(C)c2)nc[nH+]1 ZINC000391310728 711138115 /nfs/dbraw/zinc/13/81/15/711138115.db2.gz DTWGMDRYGYLLQC-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000393879970 711178481 /nfs/dbraw/zinc/17/84/81/711178481.db2.gz PTTYYNUKKDZQSA-ZADCQDASSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000393879970 711178483 /nfs/dbraw/zinc/17/84/83/711178483.db2.gz PTTYYNUKKDZQSA-ZADCQDASSA-N 1 2 241.331 1.605 20 0 BDADLO C[C@H]([NH2+]C[C@@]1(C)CCOC1)C(=O)OC(C)(C)C ZINC000397201396 711379388 /nfs/dbraw/zinc/37/93/88/711379388.db2.gz WMBOTHURXVHQIK-GXFFZTMASA-N 1 2 243.347 1.733 20 0 BDADLO CNc1cc(N[C@H](C)CCCCO)[nH+]cn1 ZINC000398444474 711410990 /nfs/dbraw/zinc/41/09/90/711410990.db2.gz XSELCIKHLVRYJC-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO c1cc(C[NH2+][C@H]2CCCc3n[nH]cc32)no1 ZINC000381194050 710608261 /nfs/dbraw/zinc/60/82/61/710608261.db2.gz ZMKDJKQSCDYUGE-JTQLQIEISA-N 1 2 218.260 1.565 20 0 BDADLO CC[C@H](C)[C@@H](CNc1cc(NC)nc[nH+]1)OC ZINC000381303261 710618987 /nfs/dbraw/zinc/61/89/87/710618987.db2.gz RGWVOLFLRQZPDN-VHSXEESVSA-N 1 2 238.335 1.413 20 0 BDADLO CCC(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001056825287 710948993 /nfs/dbraw/zinc/94/89/93/710948993.db2.gz FJFAYLVBBZZCFI-NSHDSACASA-N 1 2 248.330 1.232 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000392415931 711146710 /nfs/dbraw/zinc/14/67/10/711146710.db2.gz JCXNBQAVEXCGFO-VIFPVBQESA-N 1 2 241.298 1.836 20 0 BDADLO Cc1cc(C)c(CNC(=S)NC2CC2)c[nH+]1 ZINC000397087274 711376240 /nfs/dbraw/zinc/37/62/40/711376240.db2.gz IKQRUMGORDVJMV-UHFFFAOYSA-N 1 2 235.356 1.825 20 0 BDADLO C[N@H+](CC[S@](C)=O)Cc1ccc(Cl)nc1 ZINC000399847270 711436194 /nfs/dbraw/zinc/43/61/94/711436194.db2.gz IVOQEXFZNDPUPS-HNNXBMFYSA-N 1 2 246.763 1.545 20 0 BDADLO C[N@@H+](CC[S@](C)=O)Cc1ccc(Cl)nc1 ZINC000399847270 711436196 /nfs/dbraw/zinc/43/61/96/711436196.db2.gz IVOQEXFZNDPUPS-HNNXBMFYSA-N 1 2 246.763 1.545 20 0 BDADLO C[N@H+](CC[S@@](C)=O)Cc1ccc(Cl)nc1 ZINC000399847276 711436199 /nfs/dbraw/zinc/43/61/99/711436199.db2.gz IVOQEXFZNDPUPS-OAHLLOKOSA-N 1 2 246.763 1.545 20 0 BDADLO C[N@@H+](CC[S@@](C)=O)Cc1ccc(Cl)nc1 ZINC000399847276 711436201 /nfs/dbraw/zinc/43/62/01/711436201.db2.gz IVOQEXFZNDPUPS-OAHLLOKOSA-N 1 2 246.763 1.545 20 0 BDADLO CC[C@H]([NH2+]CCS(C)(=O)=O)c1nccs1 ZINC000080277630 711483177 /nfs/dbraw/zinc/48/31/77/711483177.db2.gz GMEVNWJATSDMBF-QMMMGPOBSA-N 1 2 248.373 1.228 20 0 BDADLO Cc1cn(C)nc1C[NH2+][C@H](CO)c1ccccc1 ZINC000723950274 711546831 /nfs/dbraw/zinc/54/68/31/711546831.db2.gz WPBDPKQAILGBTE-CQSZACIVSA-N 1 2 245.326 1.552 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721547630 711622693 /nfs/dbraw/zinc/62/26/93/711622693.db2.gz AZWGMVNEQDRCTA-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO CO[C@@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000724897033 711626362 /nfs/dbraw/zinc/62/63/62/711626362.db2.gz ZVWMDPMBDOGMOS-NXEZZACHSA-N 1 2 223.276 1.001 20 0 BDADLO C[C@@H]([NH2+]CC(C)(C)CO)C(=O)OC(C)(C)C ZINC000168669253 711684843 /nfs/dbraw/zinc/68/48/43/711684843.db2.gz YIRRAVICCFHIOA-SECBINFHSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N1CC[C@@H]1C(F)F ZINC000931423110 711711536 /nfs/dbraw/zinc/71/15/36/711711536.db2.gz BDQNETVPAHFFLR-VHSXEESVSA-N 1 2 234.290 1.047 20 0 BDADLO CCn1ncnc1C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461622 711718928 /nfs/dbraw/zinc/71/89/28/711718928.db2.gz WJTHGCFPCNWQQB-SECBINFHSA-N 1 2 246.318 1.140 20 0 BDADLO CCn1ncnc1C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461622 711718931 /nfs/dbraw/zinc/71/89/31/711718931.db2.gz WJTHGCFPCNWQQB-SECBINFHSA-N 1 2 246.318 1.140 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)[nH]n1 ZINC000722313025 711734266 /nfs/dbraw/zinc/73/42/66/711734266.db2.gz OARLJHYEMBTGDO-NWDGAFQWSA-N 1 2 221.304 1.457 20 0 BDADLO C[NH+](C)C1(c2nc(CCCCF)no2)CC1 ZINC000897197646 711785019 /nfs/dbraw/zinc/78/50/19/711785019.db2.gz GFBHLIUYRGHKQK-UHFFFAOYSA-N 1 2 227.283 1.913 20 0 BDADLO CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000381322060 711819874 /nfs/dbraw/zinc/81/98/74/711819874.db2.gz PCMIWLBKEGOCAJ-KBVBSXBZSA-N 1 2 227.304 1.095 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2ccc[nH]2)C1 ZINC001030099711 711826434 /nfs/dbraw/zinc/82/64/34/711826434.db2.gz BUYKJJLWIRYJFW-UHFFFAOYSA-N 1 2 233.315 1.395 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)COC)n1 ZINC000087438092 711835591 /nfs/dbraw/zinc/83/55/91/711835591.db2.gz HSNXPXVCKZTNQB-QMMMGPOBSA-N 1 2 213.281 1.004 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)c1c(F)cccc1F ZINC000071947930 711900979 /nfs/dbraw/zinc/90/09/79/711900979.db2.gz KCNPPRVJFHIFOQ-JTQLQIEISA-N 1 2 224.210 1.895 20 0 BDADLO C[C@H](CCO)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494608 711935512 /nfs/dbraw/zinc/93/55/12/711935512.db2.gz XRIWNDQTMHPVHK-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO CC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001061033422 711945970 /nfs/dbraw/zinc/94/59/70/711945970.db2.gz MXOJRTUZOFRESY-NWDGAFQWSA-N 1 2 248.330 1.644 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001032848082 711962706 /nfs/dbraw/zinc/96/27/06/711962706.db2.gz QJWXBAUGPPTZKS-PWSUYJOCSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001032848082 711962707 /nfs/dbraw/zinc/96/27/07/711962707.db2.gz QJWXBAUGPPTZKS-PWSUYJOCSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034061626 712038098 /nfs/dbraw/zinc/03/80/98/712038098.db2.gz TXPXESJBAYNJJB-LLVKDONJSA-N 1 2 237.303 1.165 20 0 BDADLO CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034061626 712038099 /nfs/dbraw/zinc/03/80/99/712038099.db2.gz TXPXESJBAYNJJB-LLVKDONJSA-N 1 2 237.303 1.165 20 0 BDADLO CCCNc1cc(NCc2ncccn2)nc[nH+]1 ZINC000702329290 712047155 /nfs/dbraw/zinc/04/71/55/712047155.db2.gz JNTGNWKGFBVJMZ-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO CCCNc1cc(NCc2ncccn2)[nH+]cn1 ZINC000702329290 712047156 /nfs/dbraw/zinc/04/71/56/712047156.db2.gz JNTGNWKGFBVJMZ-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO Cc1nn(C)c(C[NH2+][C@@H](C)CF)c1Cl ZINC000702594365 712056644 /nfs/dbraw/zinc/05/66/44/712056644.db2.gz BVGOZSPNQVUPRD-LURJTMIESA-N 1 2 219.691 1.830 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000702988024 712063177 /nfs/dbraw/zinc/06/31/77/712063177.db2.gz IZANRVGINFXQJB-GRZMOONWSA-N 1 2 229.320 1.221 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)nn1 ZINC000703962274 712096451 /nfs/dbraw/zinc/09/64/51/712096451.db2.gz KDVIQUNKUHPRST-VXGBXAGGSA-N 1 2 248.330 1.202 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)nn1 ZINC000703962274 712096452 /nfs/dbraw/zinc/09/64/52/712096452.db2.gz KDVIQUNKUHPRST-VXGBXAGGSA-N 1 2 248.330 1.202 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706181913 712142065 /nfs/dbraw/zinc/14/20/65/712142065.db2.gz CICOHDXRFZTVFF-PSASIEDQSA-N 1 2 243.738 1.276 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](OC)C2)[nH+]cn1 ZINC000706552133 712150034 /nfs/dbraw/zinc/15/00/34/712150034.db2.gz DPTBTLGYAVOPMK-ZKCHVHJHSA-N 1 2 208.265 1.108 20 0 BDADLO CSC1CC([NH2+]CC(F)(F)CO)C1 ZINC000706928785 712161445 /nfs/dbraw/zinc/16/14/45/712161445.db2.gz NVVQNWLYDSPXBL-UHFFFAOYSA-N 1 2 211.277 1.098 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC[C@]1(C)CC ZINC000707346138 712168733 /nfs/dbraw/zinc/16/87/33/712168733.db2.gz YJTAQCVVEMWEGX-YBJDMEARSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC[C@]1(C)CC ZINC000707346138 712168736 /nfs/dbraw/zinc/16/87/36/712168736.db2.gz YJTAQCVVEMWEGX-YBJDMEARSA-N 1 2 241.331 1.607 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccn2C2CC2)n(C)n1 ZINC000711764089 712327326 /nfs/dbraw/zinc/32/73/26/712327326.db2.gz GWLXDDHHTXQGSZ-UHFFFAOYSA-N 1 2 245.330 1.550 20 0 BDADLO Nc1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC000712004591 712339930 /nfs/dbraw/zinc/33/99/30/712339930.db2.gz NUOAKKDPKSZQOY-RYUDHWBXSA-N 1 2 245.326 1.716 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNc1c(F)c(F)nc(F)c1F ZINC000712250117 712342848 /nfs/dbraw/zinc/34/28/48/712342848.db2.gz WCMILBSTPIOLSY-RXMQYKEDSA-N 1 2 249.211 1.754 20 0 BDADLO C[N@H+]1CC[C@@H]1CNc1c(F)c(F)nc(F)c1F ZINC000712250117 712342849 /nfs/dbraw/zinc/34/28/49/712342849.db2.gz WCMILBSTPIOLSY-RXMQYKEDSA-N 1 2 249.211 1.754 20 0 BDADLO CC(=O)N1CC[C@@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001065367653 712355960 /nfs/dbraw/zinc/35/59/60/712355960.db2.gz FRWMPBKOMQMIEL-ZDUSSCGKSA-N 1 2 248.330 1.455 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(F)cc2)C1 ZINC000379085929 712369454 /nfs/dbraw/zinc/36/94/54/712369454.db2.gz DNVOLVRPYUVXMO-UHFFFAOYSA-N 1 2 222.263 1.260 20 0 BDADLO CC(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001066270028 712372824 /nfs/dbraw/zinc/37/28/24/712372824.db2.gz XDXZBGXKTJYOBY-LBPRGKRZSA-N 1 2 248.330 1.455 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc(C)nn2C)nn1 ZINC000714419288 712486080 /nfs/dbraw/zinc/48/60/80/712486080.db2.gz UVYSZHXHZTUZOA-UHFFFAOYSA-N 1 2 248.334 1.020 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715407427 712516835 /nfs/dbraw/zinc/51/68/35/712516835.db2.gz DOCDDPBMFHZEDZ-RNJXMRFFSA-N 1 2 219.231 1.135 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715407427 712516837 /nfs/dbraw/zinc/51/68/37/712516837.db2.gz DOCDDPBMFHZEDZ-RNJXMRFFSA-N 1 2 219.231 1.135 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715410932 712517957 /nfs/dbraw/zinc/51/79/57/712517957.db2.gz BWJGHMMSHVIXSR-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715410932 712517959 /nfs/dbraw/zinc/51/79/59/712517959.db2.gz BWJGHMMSHVIXSR-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715855213 712536817 /nfs/dbraw/zinc/53/68/17/712536817.db2.gz NKJSAPAVFQZDOY-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1nc[nH+]c(N)c1OC ZINC000716879091 712580223 /nfs/dbraw/zinc/58/02/23/712580223.db2.gz QQJOOHVSDRMQFZ-HTQZYQBOSA-N 1 2 240.307 1.029 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1[nH+]cnc(N)c1OC ZINC000716879091 712580224 /nfs/dbraw/zinc/58/02/24/712580224.db2.gz QQJOOHVSDRMQFZ-HTQZYQBOSA-N 1 2 240.307 1.029 20 0 BDADLO CCn1cc(OC(=O)C[C@H](C)n2cc[nH+]c2)cn1 ZINC000844493362 712606418 /nfs/dbraw/zinc/60/64/18/712606418.db2.gz CZSQWZYMPYAXNG-JTQLQIEISA-N 1 2 248.286 1.656 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000717219682 712639982 /nfs/dbraw/zinc/63/99/82/712639982.db2.gz NAYOBUFCDMAAKA-RCWTZXSCSA-N 1 2 233.315 1.361 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)[C@@H](C)O ZINC000717282585 712644592 /nfs/dbraw/zinc/64/45/92/712644592.db2.gz WSHKRWJAHLSJOM-ZWNOBZJWSA-N 1 2 246.310 1.697 20 0 BDADLO CC1(C)CO[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000717619358 712662686 /nfs/dbraw/zinc/66/26/86/712662686.db2.gz ROIMEGMQZINNNU-SECBINFHSA-N 1 2 224.279 1.870 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccnc(F)c1 ZINC000380143972 712699235 /nfs/dbraw/zinc/69/92/35/712699235.db2.gz PEGIJNSZCYZYDU-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)OC ZINC000385012028 712707774 /nfs/dbraw/zinc/70/77/74/712707774.db2.gz WTZUHAQUKJXNOJ-NGDQXYMTSA-N 1 2 243.347 1.730 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142469 712713516 /nfs/dbraw/zinc/71/35/16/712713516.db2.gz COVTXWJIQLOIBC-QWRGUYRKSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142469 712713520 /nfs/dbraw/zinc/71/35/20/712713520.db2.gz COVTXWJIQLOIBC-QWRGUYRKSA-N 1 2 238.335 1.349 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000720432140 712842368 /nfs/dbraw/zinc/84/23/68/712842368.db2.gz OBZFBJHSWHLZDL-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCO[C@@H](C)CC1 ZINC000720432140 712842369 /nfs/dbraw/zinc/84/23/69/712842369.db2.gz OBZFBJHSWHLZDL-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1occc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000720600523 712857605 /nfs/dbraw/zinc/85/76/05/712857605.db2.gz DHWNJIHRIYSNBF-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cnc(C(C)(C)[NH2+]CC[N+](=O)[O-])s1 ZINC000380300504 712864267 /nfs/dbraw/zinc/86/42/67/712864267.db2.gz DMYBBWVQJORURZ-UHFFFAOYSA-N 1 2 229.305 1.553 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)[nH]1 ZINC001209570579 957506809 /nfs/dbraw/zinc/50/68/09/957506809.db2.gz PWGOYFMQQGZIKZ-WDEREUQCSA-N 1 2 212.268 1.228 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)[nH]1 ZINC001209570579 957506814 /nfs/dbraw/zinc/50/68/14/957506814.db2.gz PWGOYFMQQGZIKZ-WDEREUQCSA-N 1 2 212.268 1.228 20 0 BDADLO Nc1cc(CNc2nccc(Cl)n2)cc[nH+]1 ZINC001167617971 959093513 /nfs/dbraw/zinc/09/35/13/959093513.db2.gz BQJJSUUZVXRYHY-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)[nH]n1 ZINC001203070484 960620235 /nfs/dbraw/zinc/62/02/35/960620235.db2.gz VULVATGYQAATDC-LDYMZIIASA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)[nH]n1 ZINC001203070484 960620241 /nfs/dbraw/zinc/62/02/41/960620241.db2.gz VULVATGYQAATDC-LDYMZIIASA-N 1 2 211.284 1.898 20 0 BDADLO CC1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000585415015 960760940 /nfs/dbraw/zinc/76/09/40/960760940.db2.gz HZPMFWSFJRSTDT-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO CC1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000585415015 960760950 /nfs/dbraw/zinc/76/09/50/960760950.db2.gz HZPMFWSFJRSTDT-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000092764980 961873943 /nfs/dbraw/zinc/87/39/43/961873943.db2.gz ZIZWHKODVNRBRA-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000092764980 961873944 /nfs/dbraw/zinc/87/39/44/961873944.db2.gz ZIZWHKODVNRBRA-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000092764982 961874201 /nfs/dbraw/zinc/87/42/01/961874201.db2.gz ZIZWHKODVNRBRA-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000092764982 961874216 /nfs/dbraw/zinc/87/42/16/961874216.db2.gz ZIZWHKODVNRBRA-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO CCCCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001269200102 962523840 /nfs/dbraw/zinc/52/38/40/962523840.db2.gz HNLSNTZRDWLCBD-SNVBAGLBSA-N 1 2 216.300 1.337 20 0 BDADLO CCCCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001269200102 962523860 /nfs/dbraw/zinc/52/38/60/962523860.db2.gz HNLSNTZRDWLCBD-SNVBAGLBSA-N 1 2 216.300 1.337 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206657558 963137148 /nfs/dbraw/zinc/13/71/48/963137148.db2.gz RYSJQKSGOKYRSM-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206657558 963137161 /nfs/dbraw/zinc/13/71/61/963137161.db2.gz RYSJQKSGOKYRSM-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO CCC1(Nc2[nH+]cc(OC)cc2C)COC1 ZINC001157536818 963650989 /nfs/dbraw/zinc/65/09/89/963650989.db2.gz WERIUQCBZQUPLN-UHFFFAOYSA-N 1 2 222.288 1.990 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@@H+]1CCF ZINC001088444981 963789781 /nfs/dbraw/zinc/78/97/81/963789781.db2.gz HSYRQDCURLDEEC-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@H+]1CCF ZINC001088444981 963789788 /nfs/dbraw/zinc/78/97/88/963789788.db2.gz HSYRQDCURLDEEC-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000053898576 963844116 /nfs/dbraw/zinc/84/41/16/963844116.db2.gz DARAZUKVKXQCFD-MNOVXSKESA-N 1 2 221.304 1.703 20 0 BDADLO CCCCNc1ccc(CNC(C)=O)c[nH+]1 ZINC001162201562 964866872 /nfs/dbraw/zinc/86/68/72/964866872.db2.gz XCVFMENPURUJFC-UHFFFAOYSA-N 1 2 221.304 1.930 20 0 BDADLO CCN1C[C@@H](C)[N@H+](Cc2cccs2)CC1=O ZINC001204018140 966855830 /nfs/dbraw/zinc/85/58/30/966855830.db2.gz JNGAPLMWYALLFX-SNVBAGLBSA-N 1 2 238.356 1.801 20 0 BDADLO CCN1C[C@@H](C)[N@@H+](Cc2cccs2)CC1=O ZINC001204018140 966855831 /nfs/dbraw/zinc/85/58/31/966855831.db2.gz JNGAPLMWYALLFX-SNVBAGLBSA-N 1 2 238.356 1.801 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2cccnc2)C1 ZINC001204068980 966881373 /nfs/dbraw/zinc/88/13/73/966881373.db2.gz IYGSHWPKAGWWGC-NEPJUHHUSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2cccnc2)C1 ZINC001204068980 966881377 /nfs/dbraw/zinc/88/13/77/966881377.db2.gz IYGSHWPKAGWWGC-NEPJUHHUSA-N 1 2 224.279 1.234 20 0 BDADLO Cc1cnsc1CN1CC2(CC[N@H+]2C)C1 ZINC001276462716 966992574 /nfs/dbraw/zinc/99/25/74/966992574.db2.gz YFFYHNYVJBKWNO-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1cnsc1CN1CC2(CC[N@@H+]2C)C1 ZINC001276462716 966992581 /nfs/dbraw/zinc/99/25/81/966992581.db2.gz YFFYHNYVJBKWNO-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO CC(C)Cn1cc(CCn2cc[nH+]c2)cn1 ZINC001250316791 967688679 /nfs/dbraw/zinc/68/86/79/967688679.db2.gz YEPZTMZBSDCYHI-UHFFFAOYSA-N 1 2 218.304 1.978 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001251777709 968319511 /nfs/dbraw/zinc/31/95/11/968319511.db2.gz CMZPKIKKLBSURV-RYPBNFRJSA-N 1 2 239.237 1.161 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001251777709 968319518 /nfs/dbraw/zinc/31/95/18/968319518.db2.gz CMZPKIKKLBSURV-RYPBNFRJSA-N 1 2 239.237 1.161 20 0 BDADLO CCN(CC[NH2+][C@@H](C)c1csnn1)C(C)=O ZINC001273230176 968423743 /nfs/dbraw/zinc/42/37/43/968423743.db2.gz VRBXYHBKMAPMRU-QMMMGPOBSA-N 1 2 242.348 1.057 20 0 BDADLO CCCC[C@@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC001252093829 968574688 /nfs/dbraw/zinc/57/46/88/968574688.db2.gz KOIKFTRNAMMLFC-GFCCVEGCSA-N 1 2 228.380 1.564 20 0 BDADLO CCCC[C@@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC001252093829 968574697 /nfs/dbraw/zinc/57/46/97/968574697.db2.gz KOIKFTRNAMMLFC-GFCCVEGCSA-N 1 2 228.380 1.564 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207098473 968629298 /nfs/dbraw/zinc/62/92/98/968629298.db2.gz SORVVASCVWCMOL-QMMMGPOBSA-N 1 2 228.242 1.174 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207098473 968629303 /nfs/dbraw/zinc/62/93/03/968629303.db2.gz SORVVASCVWCMOL-QMMMGPOBSA-N 1 2 228.242 1.174 20 0 BDADLO CCOC(=O)[C@@H](CCSC)[NH2+]CC(C)(C)O ZINC001252366344 968645100 /nfs/dbraw/zinc/64/51/00/968645100.db2.gz BYBSDJUQXNPCRF-SECBINFHSA-N 1 2 249.376 1.032 20 0 BDADLO CCOC(=O)[C@H](CC1CCC1)[NH2+]CC(C)(C)O ZINC001252366528 968645478 /nfs/dbraw/zinc/64/54/78/968645478.db2.gz DODFJFWVXDHXPG-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+]CC(C)(C)O ZINC001252366527 968645924 /nfs/dbraw/zinc/64/59/24/968645924.db2.gz DODFJFWVXDHXPG-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CC1(C)C[C@H](C[N@H+]2CCC(=O)C2)CCO1 ZINC001207359323 968737995 /nfs/dbraw/zinc/73/79/95/968737995.db2.gz IQQRVUPOCWZMPM-SNVBAGLBSA-N 1 2 211.305 1.466 20 0 BDADLO Fc1ccc(CC[NH+]2CC3(CCO3)C2)cc1 ZINC001207515552 968815211 /nfs/dbraw/zinc/81/52/11/968815211.db2.gz UGVLWHQDXOTSJP-UHFFFAOYSA-N 1 2 221.275 1.843 20 0 BDADLO C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1COC1 ZINC001252846622 969032594 /nfs/dbraw/zinc/03/25/94/969032594.db2.gz QPHTYUFLQVHFKP-LBPRGKRZSA-N 1 2 225.263 1.190 20 0 BDADLO CC(=O)C[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC001252839493 969034983 /nfs/dbraw/zinc/03/49/83/969034983.db2.gz KCBKUBDLYJWDAQ-GFCCVEGCSA-N 1 2 225.263 1.380 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC001252839493 969034992 /nfs/dbraw/zinc/03/49/92/969034992.db2.gz KCBKUBDLYJWDAQ-GFCCVEGCSA-N 1 2 225.263 1.380 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001208709595 969200539 /nfs/dbraw/zinc/20/05/39/969200539.db2.gz BHKKBWCQNOWKAX-JGVFFNPUSA-N 1 2 239.237 1.475 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001208709595 969200542 /nfs/dbraw/zinc/20/05/42/969200542.db2.gz BHKKBWCQNOWKAX-JGVFFNPUSA-N 1 2 239.237 1.475 20 0 BDADLO CCCCC[C@H](O)C[N@H+](C)CC(=O)OC ZINC001253539593 969215402 /nfs/dbraw/zinc/21/54/02/969215402.db2.gz YEOLLGKFMJFDJP-JTQLQIEISA-N 1 2 217.309 1.032 20 0 BDADLO CCCCC[C@H](O)C[N@@H+](C)CC(=O)OC ZINC001253539593 969215404 /nfs/dbraw/zinc/21/54/04/969215404.db2.gz YEOLLGKFMJFDJP-JTQLQIEISA-N 1 2 217.309 1.032 20 0 BDADLO FC(F)C1C[NH+](Cc2cncs2)C1 ZINC001209552500 969536356 /nfs/dbraw/zinc/53/63/56/969536356.db2.gz KATHFXNUEPMKJA-UHFFFAOYSA-N 1 2 204.245 1.840 20 0 BDADLO F[C@H]1C[N@H+](Cc2cnccn2)C[C@@H]2C[C@@H]21 ZINC001209780171 969610661 /nfs/dbraw/zinc/61/06/61/969610661.db2.gz AVWBPMZKPQFUJF-LSJOCFKGSA-N 1 2 207.252 1.266 20 0 BDADLO F[C@H]1C[N@@H+](Cc2cnccn2)C[C@@H]2C[C@@H]21 ZINC001209780171 969610674 /nfs/dbraw/zinc/61/06/74/969610674.db2.gz AVWBPMZKPQFUJF-LSJOCFKGSA-N 1 2 207.252 1.266 20 0 BDADLO Cc1cc(C)c(-n2cc(N)c(N)n2)c[nH+]1 ZINC001213508682 970325992 /nfs/dbraw/zinc/32/59/92/970325992.db2.gz ZEVLJVFUZNWJLR-UHFFFAOYSA-N 1 2 203.249 1.049 20 0 BDADLO C[C@@H]([NH2+]Cc1cnns1)c1cncs1 ZINC000400218292 970565342 /nfs/dbraw/zinc/56/53/42/970565342.db2.gz FTGZLEVSBAOTEG-ZCFIWIBFSA-N 1 2 226.330 1.845 20 0 BDADLO CCOC(=O)N1CC[C@H]([NH2+]CC(C)(F)F)C1 ZINC001256012695 970611970 /nfs/dbraw/zinc/61/19/70/970611970.db2.gz MKNIUSIUAIBGPF-QMMMGPOBSA-N 1 2 236.262 1.462 20 0 BDADLO CCCCCc1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)o1 ZINC001256102486 970655576 /nfs/dbraw/zinc/65/55/76/970655576.db2.gz LFGJYNKIVRBINA-UWVGGRQHSA-N 1 2 239.319 1.540 20 0 BDADLO CCCCCc1nnc([C@@H]2C[C@H](O)C[N@H+]2C)o1 ZINC001256102486 970655585 /nfs/dbraw/zinc/65/55/85/970655585.db2.gz LFGJYNKIVRBINA-UWVGGRQHSA-N 1 2 239.319 1.540 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCC(F)F ZINC001332430933 975115850 /nfs/dbraw/zinc/11/58/50/975115850.db2.gz IIOHEIGTTBHRBI-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC001173265922 975129775 /nfs/dbraw/zinc/12/97/75/975129775.db2.gz WFXNWVMHIOCVGW-MXWKQRLJSA-N 1 2 229.320 1.079 20 0 BDADLO CCSC[C@@H](C)[NH+]1CC(OC(C)=O)C1 ZINC001173304815 975204650 /nfs/dbraw/zinc/20/46/50/975204650.db2.gz KGINZJLCILAIIK-MRVPVSSYSA-N 1 2 217.334 1.375 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)[C@@H](C)O ZINC001332739820 975277129 /nfs/dbraw/zinc/27/71/29/975277129.db2.gz XGDPKFZDULWNMG-KKOKHZNYSA-N 1 2 243.347 1.467 20 0 BDADLO CC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230812710 977337469 /nfs/dbraw/zinc/33/74/69/977337469.db2.gz YNMQJBLWTQNKDO-WDEREUQCSA-N 1 2 230.327 1.535 20 0 BDADLO CC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230812710 977337482 /nfs/dbraw/zinc/33/74/82/977337482.db2.gz YNMQJBLWTQNKDO-WDEREUQCSA-N 1 2 230.327 1.535 20 0 BDADLO CCC(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001230969335 977405973 /nfs/dbraw/zinc/40/59/73/977405973.db2.gz KRGMJJFNVLBLNH-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CC[C@@H](OC)C1 ZINC001231739869 977730489 /nfs/dbraw/zinc/73/04/89/977730489.db2.gz KQDQOYUZTBZLSC-LLVKDONJSA-N 1 2 240.278 1.450 20 0 BDADLO COc1cc[nH+]cc1Nc1cncnc1C ZINC001176116832 977943990 /nfs/dbraw/zinc/94/39/90/977943990.db2.gz MDEKTRUERZESHN-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO CNc1cc(N2CCC[C@@H]3C[C@@H]32)nc[nH+]1 ZINC001336799619 977969842 /nfs/dbraw/zinc/96/98/42/977969842.db2.gz YLEAORZFKNHNOA-BDAKNGLRSA-N 1 2 204.277 1.507 20 0 BDADLO CNc1cc(N2CCC[C@@H]3C[C@@H]32)[nH+]cn1 ZINC001336799619 977969858 /nfs/dbraw/zinc/96/98/58/977969858.db2.gz YLEAORZFKNHNOA-BDAKNGLRSA-N 1 2 204.277 1.507 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC3(COC3)C2)s1 ZINC001232242139 977970504 /nfs/dbraw/zinc/97/05/04/977970504.db2.gz FXRQIVCVRSNOIL-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC3(COC3)C2)s1 ZINC001232242139 977970519 /nfs/dbraw/zinc/97/05/19/977970519.db2.gz FXRQIVCVRSNOIL-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001337274547 978258494 /nfs/dbraw/zinc/25/84/94/978258494.db2.gz LQSXGFXYHVNWDP-PSASIEDQSA-N 1 2 225.267 1.062 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NC[C@H]1CCCCS1 ZINC001597239201 978304341 /nfs/dbraw/zinc/30/43/41/978304341.db2.gz QMVZXNNYJSWYTK-MNOVXSKESA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NC[C@H]1CCCCS1 ZINC001597239201 978304361 /nfs/dbraw/zinc/30/43/61/978304361.db2.gz QMVZXNNYJSWYTK-MNOVXSKESA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+](Cc1cc(Cl)ncc1O)C1COC1 ZINC001233034389 978417963 /nfs/dbraw/zinc/41/79/63/978417963.db2.gz LPBHOBQESROTSQ-UHFFFAOYSA-N 1 2 242.706 1.661 20 0 BDADLO CC[N@@H+](Cc1cc(Cl)ncc1O)C1COC1 ZINC001233034389 978417975 /nfs/dbraw/zinc/41/79/75/978417975.db2.gz LPBHOBQESROTSQ-UHFFFAOYSA-N 1 2 242.706 1.661 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(Cl)o2)CC[C@H]1F ZINC001233314457 978543649 /nfs/dbraw/zinc/54/36/49/978543649.db2.gz ZAALMAXZOBMHMO-BDAKNGLRSA-N 1 2 233.670 1.838 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(Cl)o2)CC[C@H]1F ZINC001233314457 978543657 /nfs/dbraw/zinc/54/36/57/978543657.db2.gz ZAALMAXZOBMHMO-BDAKNGLRSA-N 1 2 233.670 1.838 20 0 BDADLO Cc1cnsc1C[N@@H+]1CC[C@@H](F)C1 ZINC001233318700 978553143 /nfs/dbraw/zinc/55/31/43/978553143.db2.gz NQDDYXUKJZTCKE-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1cnsc1C[N@H+]1CC[C@@H](F)C1 ZINC001233318700 978553153 /nfs/dbraw/zinc/55/31/53/978553153.db2.gz NQDDYXUKJZTCKE-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001233320906 978554875 /nfs/dbraw/zinc/55/48/75/978554875.db2.gz RXTSEGIJFWJYKW-SECBINFHSA-N 1 2 239.344 1.291 20 0 BDADLO Cc1cnsc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC001233320906 978554876 /nfs/dbraw/zinc/55/48/76/978554876.db2.gz RXTSEGIJFWJYKW-SECBINFHSA-N 1 2 239.344 1.291 20 0 BDADLO C[C@H]1CCN(c2cc(N)nc[nH+]2)C[C@H]1F ZINC001337918211 978562970 /nfs/dbraw/zinc/56/29/70/978562970.db2.gz ZPJKVVMDGYKQID-JGVFFNPUSA-N 1 2 210.256 1.243 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2cncc(Cl)n2)C1 ZINC001233450915 978605531 /nfs/dbraw/zinc/60/55/31/978605531.db2.gz OJHRBGUBNUIPCO-QMMMGPOBSA-N 1 2 241.722 1.597 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cncc(Cl)n1 ZINC001233447084 978607231 /nfs/dbraw/zinc/60/72/31/978607231.db2.gz STKPURGZTOFFTP-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cncc(Cl)n1 ZINC001233447084 978607239 /nfs/dbraw/zinc/60/72/39/978607239.db2.gz STKPURGZTOFFTP-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccoc1 ZINC001204244183 978700779 /nfs/dbraw/zinc/70/07/79/978700779.db2.gz SVGMDUNVIGAJRF-NSHDSACASA-N 1 2 225.288 1.909 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccoc1 ZINC001204244183 978700787 /nfs/dbraw/zinc/70/07/87/978700787.db2.gz SVGMDUNVIGAJRF-NSHDSACASA-N 1 2 225.288 1.909 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)C(F)(F)F ZINC000441158247 978818979 /nfs/dbraw/zinc/81/89/79/978818979.db2.gz PDLROUUTYAZJRD-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1C[C@@H](C)C(F)(F)F ZINC000441158247 978818983 /nfs/dbraw/zinc/81/89/83/978818983.db2.gz PDLROUUTYAZJRD-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@H](F)C2)c[nH]1 ZINC001234938500 978935673 /nfs/dbraw/zinc/93/56/73/978935673.db2.gz RBLIGINBSQOGPZ-JTQLQIEISA-N 1 2 240.278 1.735 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2CC[C@H](F)C2)c[nH]1 ZINC001234938500 978935678 /nfs/dbraw/zinc/93/56/78/978935678.db2.gz RBLIGINBSQOGPZ-JTQLQIEISA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC001181206373 979013353 /nfs/dbraw/zinc/01/33/53/979013353.db2.gz RTDGIFVONBFOOD-KOLCDFICSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@@H]2C[C@]2(F)Cl)[nH+]1 ZINC001181669230 979240650 /nfs/dbraw/zinc/24/06/50/979240650.db2.gz SQVOXKFLBXWSRE-OIBJUYFYSA-N 1 2 245.685 1.301 20 0 BDADLO Clc1nccnc1C[NH+]1CC(C2COC2)C1 ZINC001236612209 979676881 /nfs/dbraw/zinc/67/68/81/979676881.db2.gz CSDJGJLVHRBBOB-UHFFFAOYSA-N 1 2 239.706 1.208 20 0 BDADLO C[C@H](C[NH2+][C@H]1CC[C@@H](CC(=O)[O-])[C@H]1C)[NH+](C)C ZINC001604642248 979690253 /nfs/dbraw/zinc/69/02/53/979690253.db2.gz AVFBAMBFQUCIDC-WYUUTHIRSA-N 1 2 242.363 1.416 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236907643 979791554 /nfs/dbraw/zinc/79/15/54/979791554.db2.gz CXLDHOKCMBWMHT-JTQLQIEISA-N 1 2 236.315 1.472 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236907643 979791564 /nfs/dbraw/zinc/79/15/64/979791564.db2.gz CXLDHOKCMBWMHT-JTQLQIEISA-N 1 2 236.315 1.472 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)[C@H](F)CC1 ZINC001237588793 979950230 /nfs/dbraw/zinc/95/02/30/979950230.db2.gz YUIQXBPQZMIFIE-LLVKDONJSA-N 1 2 239.294 1.406 20 0 BDADLO Cc1cc(F)ncc1CCn1cc[nH+]c1 ZINC001250318547 980758085 /nfs/dbraw/zinc/75/80/85/980758085.db2.gz GQFLFUARCDFJPM-UHFFFAOYSA-N 1 2 205.236 1.968 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC(C)C)[C@@H]1CCCCO1 ZINC001346438736 980839642 /nfs/dbraw/zinc/83/96/42/980839642.db2.gz QOMMIMANGWUQTM-NEPJUHHUSA-N 1 2 243.347 1.875 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)CCF ZINC001348639026 981411669 /nfs/dbraw/zinc/41/16/69/981411669.db2.gz XPPJBRLIRUJGNC-UHFFFAOYSA-N 1 2 214.240 1.256 20 0 BDADLO CCCCCOC(=O)NCc1c[nH+]cn1C ZINC001193739540 981420664 /nfs/dbraw/zinc/42/06/64/981420664.db2.gz HPUMBSKECWHBRE-UHFFFAOYSA-N 1 2 225.292 1.837 20 0 BDADLO CC[C@H](C)OC(=O)N(CC)C1C[NH+](C)C1 ZINC001195111886 982094761 /nfs/dbraw/zinc/09/47/61/982094761.db2.gz LHRFCILDWHXKOS-VIFPVBQESA-N 1 2 214.309 1.557 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC3(CC3)C2)o1 ZINC001203300392 982157585 /nfs/dbraw/zinc/15/75/85/982157585.db2.gz KBJGMXGMODXHHA-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC3(CC3)C2)o1 ZINC001203300392 982157598 /nfs/dbraw/zinc/15/75/98/982157598.db2.gz KBJGMXGMODXHHA-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc[nH]2)C1 ZINC001196175526 982412248 /nfs/dbraw/zinc/41/22/48/982412248.db2.gz LMNCMAUUQPZCEL-NXEZZACHSA-N 1 2 208.309 1.815 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc[nH]2)C1 ZINC001196175526 982412251 /nfs/dbraw/zinc/41/22/51/982412251.db2.gz LMNCMAUUQPZCEL-NXEZZACHSA-N 1 2 208.309 1.815 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001589446699 982800696 /nfs/dbraw/zinc/80/06/96/982800696.db2.gz OKYMVYUIVSXKFI-AXFHLTTASA-N 1 2 226.320 1.018 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001589446699 982800699 /nfs/dbraw/zinc/80/06/99/982800699.db2.gz OKYMVYUIVSXKFI-AXFHLTTASA-N 1 2 226.320 1.018 20 0 BDADLO CC[C@@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001589446699 982800701 /nfs/dbraw/zinc/80/07/01/982800701.db2.gz OKYMVYUIVSXKFI-AXFHLTTASA-N 1 2 226.320 1.018 20 0 BDADLO CC[C@@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001589446699 982800705 /nfs/dbraw/zinc/80/07/05/982800705.db2.gz OKYMVYUIVSXKFI-AXFHLTTASA-N 1 2 226.320 1.018 20 0 BDADLO C/C(Cl)=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC001354019121 983115486 /nfs/dbraw/zinc/11/54/86/983115486.db2.gz KARHVPDXAGYBNE-XBXARRHUSA-N 1 2 225.679 1.368 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCC(F)F ZINC001354259575 983234996 /nfs/dbraw/zinc/23/49/96/983234996.db2.gz UTSPNDYICVMOFX-UHFFFAOYSA-N 1 2 231.246 1.422 20 0 BDADLO CCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001201648509 983401790 /nfs/dbraw/zinc/40/17/90/983401790.db2.gz ZLXVKEXPGIBURL-GFCCVEGCSA-N 1 2 206.289 1.865 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2ccc(F)cc2F)C1 ZINC001202024126 983531898 /nfs/dbraw/zinc/53/18/98/983531898.db2.gz JGEVHJKYUKYXLL-UHFFFAOYSA-N 1 2 241.241 1.400 20 0 BDADLO Cc1csc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC001137158103 984005041 /nfs/dbraw/zinc/00/50/41/984005041.db2.gz DLOHWWRMPAJHET-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO Cc1csc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC001137158103 984005055 /nfs/dbraw/zinc/00/50/55/984005055.db2.gz DLOHWWRMPAJHET-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO Cc1csc(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC001137157042 984001332 /nfs/dbraw/zinc/00/13/32/984001332.db2.gz JEAXBIRCYGQZPT-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1csc(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC001137157042 984001347 /nfs/dbraw/zinc/00/13/47/984001347.db2.gz JEAXBIRCYGQZPT-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO CC(C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001172453921 974815597 /nfs/dbraw/zinc/81/55/97/974815597.db2.gz HLGVZZJRAQPFFC-AGIUHOORSA-N 1 2 226.364 1.578 20 0 BDADLO CC(C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001172453921 974815601 /nfs/dbraw/zinc/81/56/01/974815601.db2.gz HLGVZZJRAQPFFC-AGIUHOORSA-N 1 2 226.364 1.578 20 0 BDADLO COC(=O)C[NH2+][C@@H](C)CCOCC(C)C ZINC001172454685 974818390 /nfs/dbraw/zinc/81/83/90/974818390.db2.gz ARVBIVKACJMPEO-JTQLQIEISA-N 1 2 217.309 1.200 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@]3(CCSC3)C2)[nH]1 ZINC001327534223 972619848 /nfs/dbraw/zinc/61/98/48/972619848.db2.gz CRWSKSFRQLKKBF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@]3(CCSC3)C2)[nH]1 ZINC001327534223 972619860 /nfs/dbraw/zinc/61/98/60/972619860.db2.gz CRWSKSFRQLKKBF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO CC(C)(C)[NH+]1CC(OCc2cnc[nH]2)C1 ZINC001223001231 972801143 /nfs/dbraw/zinc/80/11/43/972801143.db2.gz VZNXLYLIOTYVIR-UHFFFAOYSA-N 1 2 209.293 1.409 20 0 BDADLO C[N@@H+](Cc1c(F)cc(O)cc1F)CC1COC1 ZINC001144558941 972868352 /nfs/dbraw/zinc/86/83/52/972868352.db2.gz GJUWPMXKQRNMCR-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO C[N@H+](Cc1c(F)cc(O)cc1F)CC1COC1 ZINC001144558941 972868375 /nfs/dbraw/zinc/86/83/75/972868375.db2.gz GJUWPMXKQRNMCR-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OCc1cncs1 ZINC001223276116 972915880 /nfs/dbraw/zinc/91/58/80/972915880.db2.gz NZVVRPQOXWZSBH-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO CN(C[C@H]1CC=CCC1)c1cc(N)nc[nH+]1 ZINC000402643161 970818812 /nfs/dbraw/zinc/81/88/12/970818812.db2.gz DFYIVDCIDMAMSD-JTQLQIEISA-N 1 2 218.304 1.851 20 0 BDADLO CC(C)Cc1nnc([C@@H](CO)n2cc[nH+]c2)o1 ZINC001256432027 970838054 /nfs/dbraw/zinc/83/80/54/970838054.db2.gz IEZBLXOMKSRVBG-SECBINFHSA-N 1 2 236.275 1.046 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C=C2CCC2)c1 ZINC001129538655 970856035 /nfs/dbraw/zinc/85/60/35/970856035.db2.gz URBOAZRQXSRVHA-UHFFFAOYSA-N 1 2 219.288 1.189 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(CC[NH+]2CCOCC2)o1 ZINC001256610368 970875685 /nfs/dbraw/zinc/87/56/85/970875685.db2.gz POHWVWGQLUXBFK-VHSXEESVSA-N 1 2 237.303 1.068 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](C)Cc1ccncc1 ZINC001256738416 970955524 /nfs/dbraw/zinc/95/55/24/970955524.db2.gz NPAPCTOMCMROFD-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](C)Cc1ccncc1 ZINC001256738416 970955537 /nfs/dbraw/zinc/95/55/37/970955537.db2.gz NPAPCTOMCMROFD-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](C)Cc1ccncc1 ZINC001256738417 970957218 /nfs/dbraw/zinc/95/72/18/970957218.db2.gz NPAPCTOMCMROFD-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H](C)Cc1ccncc1 ZINC001256738417 970957225 /nfs/dbraw/zinc/95/72/25/970957225.db2.gz NPAPCTOMCMROFD-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787613 970988079 /nfs/dbraw/zinc/98/80/79/970988079.db2.gz SHFAYLGPSMOLIP-STQMWFEESA-N 1 2 249.310 1.669 20 0 BDADLO c1c2c(nnc1C1=C[NH2+]CCC1)CCOC2 ZINC001243950251 971039382 /nfs/dbraw/zinc/03/93/82/971039382.db2.gz USZFMUDZNSUZKD-UHFFFAOYSA-N 1 2 217.272 1.274 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001170537183 971120013 /nfs/dbraw/zinc/12/00/13/971120013.db2.gz ULPYZTBZUDNZKF-RCWTZXSCSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001170537183 971120021 /nfs/dbraw/zinc/12/00/21/971120021.db2.gz ULPYZTBZUDNZKF-RCWTZXSCSA-N 1 2 247.285 1.710 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCn3ccnc32)sn1 ZINC000404392528 971159870 /nfs/dbraw/zinc/15/98/70/971159870.db2.gz YTXHTJGPIXPLCB-SNVBAGLBSA-N 1 2 234.328 1.883 20 0 BDADLO COC(C[N@H+](C)Cc1ccns1)OC ZINC000404496004 971169872 /nfs/dbraw/zinc/16/98/72/971169872.db2.gz QOVQLCMTHXLOPT-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO COC(C[N@@H+](C)Cc1ccns1)OC ZINC000404496004 971169878 /nfs/dbraw/zinc/16/98/78/971169878.db2.gz QOVQLCMTHXLOPT-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)n[nH]1 ZINC001257312729 971206463 /nfs/dbraw/zinc/20/64/63/971206463.db2.gz YVOHATMENIJAOI-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)n[nH]1 ZINC001257312729 971206470 /nfs/dbraw/zinc/20/64/70/971206470.db2.gz YVOHATMENIJAOI-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]C1CCCC1)C(=O)OC(C)(C)C ZINC001257345294 971256724 /nfs/dbraw/zinc/25/67/24/971256724.db2.gz NKYOZALZIRFJRB-KOLCDFICSA-N 1 2 243.347 1.610 20 0 BDADLO CCCC[C@@H](CC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001257423703 971325610 /nfs/dbraw/zinc/32/56/10/971325610.db2.gz UUERYCMNYNAWHT-SNVBAGLBSA-N 1 2 233.377 1.684 20 0 BDADLO Cc1nnc([C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)o1 ZINC001217705710 971346713 /nfs/dbraw/zinc/34/67/13/971346713.db2.gz JCOWKKGFFDZCMP-BQBZGAKWSA-N 1 2 235.209 1.981 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C1CCCCC1 ZINC001257456204 971378719 /nfs/dbraw/zinc/37/87/19/971378719.db2.gz QSESQXZWPQUZLP-KOLCDFICSA-N 1 2 229.295 1.905 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C1CCCCC1 ZINC001257456204 971378725 /nfs/dbraw/zinc/37/87/25/971378725.db2.gz QSESQXZWPQUZLP-KOLCDFICSA-N 1 2 229.295 1.905 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1nccc2ccoc21 ZINC001158700431 971402727 /nfs/dbraw/zinc/40/27/27/971402727.db2.gz GORQUIUGBLFYJK-NSHDSACASA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1nccc2ccoc21 ZINC001158700431 971402738 /nfs/dbraw/zinc/40/27/38/971402738.db2.gz GORQUIUGBLFYJK-NSHDSACASA-N 1 2 247.298 1.570 20 0 BDADLO FC1(F)C[NH2+]CCN([C@@H]2CCCSC2)C1 ZINC001257670694 971472997 /nfs/dbraw/zinc/47/29/97/971472997.db2.gz ITINSUKLGNMSCL-SECBINFHSA-N 1 2 236.331 1.423 20 0 BDADLO Nc1ncccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005718 971568623 /nfs/dbraw/zinc/56/86/23/971568623.db2.gz HAUZZJRSGNLESN-MRVPVSSYSA-N 1 2 229.230 1.040 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1F ZINC001204080452 974244697 /nfs/dbraw/zinc/24/46/97/974244697.db2.gz LZLWIKQBPULAGX-WDEREUQCSA-N 1 2 210.252 1.250 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001330567688 974319148 /nfs/dbraw/zinc/31/91/48/974319148.db2.gz VVZVHDCPGGUQHG-UWVGGRQHSA-N 1 2 206.293 1.569 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001330567688 974319159 /nfs/dbraw/zinc/31/91/59/974319159.db2.gz VVZVHDCPGGUQHG-UWVGGRQHSA-N 1 2 206.293 1.569 20 0 BDADLO O=C(O[C@@H]1C[NH2+]CC1(F)F)c1ccccc1O ZINC001218232807 971644100 /nfs/dbraw/zinc/64/41/00/971644100.db2.gz GKMAZCVASDQXPI-SECBINFHSA-N 1 2 243.209 1.156 20 0 BDADLO c1cc(C2=CCCOC2)cc(N2CCOCC2)[nH+]1 ZINC001245158534 971702223 /nfs/dbraw/zinc/70/22/23/971702223.db2.gz OPWQBXFODNMNFT-UHFFFAOYSA-N 1 2 246.310 1.722 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1ccc2c([nH+]1)CCOC2 ZINC001170823441 971917634 /nfs/dbraw/zinc/91/76/34/971917634.db2.gz WTZMVIQBBSHCLE-ZYHUDNBSSA-N 1 2 248.326 1.991 20 0 BDADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]1C(=O)OC ZINC001172332567 974593082 /nfs/dbraw/zinc/59/30/82/974593082.db2.gz UDSLHHRSAHWDOF-SRVKXCTJSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H]1C(=O)OC ZINC001172332567 974593089 /nfs/dbraw/zinc/59/30/89/974593089.db2.gz UDSLHHRSAHWDOF-SRVKXCTJSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H](C[NH3+])C(=O)Nc1ccccc1S ZINC001218831498 971951166 /nfs/dbraw/zinc/95/11/66/971951166.db2.gz VSZKOJQERGRCGV-ZETCQYMHSA-N 1 2 210.302 1.509 20 0 BDADLO CCCCCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191021797 972077660 /nfs/dbraw/zinc/07/76/60/972077660.db2.gz JHJXLDRWMSNXBF-TUAOUCFPSA-N 1 2 245.363 1.857 20 0 BDADLO CCOC(=O)c1noc(C[NH+](CC)CC)n1 ZINC000314523171 972154401 /nfs/dbraw/zinc/15/44/01/972154401.db2.gz UQIFYZYBSMLIOE-UHFFFAOYSA-N 1 2 227.264 1.088 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1ccc(N(C)C)c[nH+]1 ZINC000192630720 972157193 /nfs/dbraw/zinc/15/71/93/972157193.db2.gz KGVHJQYPEHCJBB-ZYHUDNBSSA-N 1 2 235.331 1.985 20 0 BDADLO Cn1ncc2c1C[N@H+](CC1(C)CCOCC1)C2 ZINC001207969971 956897950 /nfs/dbraw/zinc/89/79/50/956897950.db2.gz VVZNGGAMJAZOOM-UHFFFAOYSA-N 1 2 235.331 1.552 20 0 BDADLO Cn1ncc2c1C[N@@H+](CC1(C)CCOCC1)C2 ZINC001207969971 956897954 /nfs/dbraw/zinc/89/79/54/956897954.db2.gz VVZNGGAMJAZOOM-UHFFFAOYSA-N 1 2 235.331 1.552 20 0 BDADLO COC1(C)C[NH+](C[C@@H](C)C(F)(F)F)C1 ZINC001208888016 957205285 /nfs/dbraw/zinc/20/52/85/957205285.db2.gz RDGHESIFNIJEKI-SSDOTTSWSA-N 1 2 211.227 1.906 20 0 BDADLO COCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC001209218767 957364451 /nfs/dbraw/zinc/36/44/51/957364451.db2.gz ZWMJXFKVENWOOX-UHFFFAOYSA-N 1 2 209.293 1.162 20 0 BDADLO COCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC001209218767 957364458 /nfs/dbraw/zinc/36/44/58/957364458.db2.gz ZWMJXFKVENWOOX-UHFFFAOYSA-N 1 2 209.293 1.162 20 0 BDADLO C[C@@H](OCC[NH+]1CCOCC1)c1ccccn1 ZINC001210206216 957670312 /nfs/dbraw/zinc/67/03/12/957670312.db2.gz AINNXLDFNZIEOH-GFCCVEGCSA-N 1 2 236.315 1.491 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001136874901 972285164 /nfs/dbraw/zinc/28/51/64/972285164.db2.gz ISNPRBNGJRTXMN-CYBMUJFWSA-N 1 2 243.310 1.845 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001136874901 972285167 /nfs/dbraw/zinc/28/51/67/972285167.db2.gz ISNPRBNGJRTXMN-CYBMUJFWSA-N 1 2 243.310 1.845 20 0 BDADLO CC(C)c1cnc(C[NH+]2CCC(O)CC2)o1 ZINC000687808002 957764413 /nfs/dbraw/zinc/76/44/13/957764413.db2.gz GAGOIKKIZHPJNJ-UHFFFAOYSA-N 1 2 224.304 1.755 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC001136871882 972293032 /nfs/dbraw/zinc/29/30/32/972293032.db2.gz QKSFVMPGUBRYPG-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC001136871882 972293037 /nfs/dbraw/zinc/29/30/37/972293037.db2.gz QKSFVMPGUBRYPG-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO Cc1nc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)co1 ZINC001136893324 972294578 /nfs/dbraw/zinc/29/45/78/972294578.db2.gz SDXAJXKIBFJJNM-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO Nc1cccc(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905560 957864707 /nfs/dbraw/zinc/86/47/07/957864707.db2.gz AKMPFCXGXULWJH-AOOOYVTPSA-N 1 2 236.290 1.771 20 0 BDADLO Nc1cccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905560 957864708 /nfs/dbraw/zinc/86/47/08/957864708.db2.gz AKMPFCXGXULWJH-AOOOYVTPSA-N 1 2 236.290 1.771 20 0 BDADLO COc1cc(Nc2cnns2)cc(C)[nH+]1 ZINC001210775640 957875607 /nfs/dbraw/zinc/87/56/07/957875607.db2.gz YNSCWEQUHIAOAO-UHFFFAOYSA-N 1 2 222.273 1.994 20 0 BDADLO Cc1cccn2c(CN3CC(F)(CO)C3)c[nH+]c12 ZINC001136958226 972304992 /nfs/dbraw/zinc/30/49/92/972304992.db2.gz GDVYOOQMHJNODE-UHFFFAOYSA-N 1 2 249.289 1.159 20 0 BDADLO Cc1cccn2c(CN3CC(=O)C3)c[nH+]c12 ZINC001136964352 972305078 /nfs/dbraw/zinc/30/50/78/972305078.db2.gz LANZMLYNYJWTSN-UHFFFAOYSA-N 1 2 215.256 1.027 20 0 BDADLO CC[N@H+](Cc1cncc(Cl)c1)C1COC1 ZINC001136995506 972312497 /nfs/dbraw/zinc/31/24/97/972312497.db2.gz OPWAMEOULURTOK-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CC[N@@H+](Cc1cncc(Cl)c1)C1COC1 ZINC001136995506 972312499 /nfs/dbraw/zinc/31/24/99/972312499.db2.gz OPWAMEOULURTOK-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO COc1c[nH+]ccc1Nc1cnc2ccccn12 ZINC001211260899 958123303 /nfs/dbraw/zinc/12/33/03/958123303.db2.gz WZYVSIUJROQOSA-UHFFFAOYSA-N 1 2 240.266 1.903 20 0 BDADLO COc1ncc(C[N@H+](C)C2(C)COC2)cc1C ZINC001137006084 972321859 /nfs/dbraw/zinc/32/18/59/972321859.db2.gz CFQBEHUZAMKVEB-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO COc1ncc(C[N@@H+](C)C2(C)COC2)cc1C ZINC001137006084 972321864 /nfs/dbraw/zinc/32/18/64/972321864.db2.gz CFQBEHUZAMKVEB-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO Nc1ccc(CNC(=O)[C@]23C[C@H]2CCC3)c[nH+]1 ZINC000693290128 958182588 /nfs/dbraw/zinc/18/25/88/958182588.db2.gz KVJDGNXYLQXQRK-ZWNOBZJWSA-N 1 2 231.299 1.470 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1ccncn1 ZINC001140347155 958259346 /nfs/dbraw/zinc/25/93/46/958259346.db2.gz YMJSZEOZQZNSHE-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1ccncn1 ZINC001140347155 958259361 /nfs/dbraw/zinc/25/93/61/958259361.db2.gz YMJSZEOZQZNSHE-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1ccncn1)C2 ZINC001140346566 958259964 /nfs/dbraw/zinc/25/99/64/958259964.db2.gz SJPXKRFHDSONGX-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1ccncn1)C2 ZINC001140346566 958259979 /nfs/dbraw/zinc/25/99/79/958259979.db2.gz SJPXKRFHDSONGX-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2[nH]cnc2c1 ZINC001137047736 972342482 /nfs/dbraw/zinc/34/24/82/972342482.db2.gz JEEMZDQRLJFULR-RYUDHWBXSA-N 1 2 242.326 1.451 20 0 BDADLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2[nH]cnc2c1 ZINC001137047736 972342487 /nfs/dbraw/zinc/34/24/87/972342487.db2.gz JEEMZDQRLJFULR-RYUDHWBXSA-N 1 2 242.326 1.451 20 0 BDADLO CC1(C)CC[C@@H](N[C@H]2C[NH2+]CC2(F)F)C1 ZINC001246466927 972343497 /nfs/dbraw/zinc/34/34/97/972343497.db2.gz XQFNSVXZCMAGKI-BDAKNGLRSA-N 1 2 218.291 1.762 20 0 BDADLO CC1(C)CC[C@@H]([NH2+][C@H]2CNCC2(F)F)C1 ZINC001246466927 972343500 /nfs/dbraw/zinc/34/35/00/972343500.db2.gz XQFNSVXZCMAGKI-BDAKNGLRSA-N 1 2 218.291 1.762 20 0 BDADLO Cc1cc(NC(=O)c2ncccc2F)c(C)c[nH+]1 ZINC001266899463 958560185 /nfs/dbraw/zinc/56/01/85/958560185.db2.gz DNLVFKYVHVKBMQ-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]1F ZINC001349633113 958744039 /nfs/dbraw/zinc/74/40/39/958744039.db2.gz POIVDPQFKMQRRY-RKDXNWHRSA-N 1 2 219.219 1.631 20 0 BDADLO C[C@@H](OCCn1cc[nH+]c1)c1ncccn1 ZINC001222129995 972377799 /nfs/dbraw/zinc/37/77/99/972377799.db2.gz WCNXUAPUSYRVRQ-SNVBAGLBSA-N 1 2 218.260 1.451 20 0 BDADLO C[S@@](=O)CC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724380997 958830844 /nfs/dbraw/zinc/83/08/44/958830844.db2.gz JXWZOXPAJGPFNE-MRXNPFEDSA-N 1 2 244.360 1.440 20 0 BDADLO COC[C@@H](C)OC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222138945 972383495 /nfs/dbraw/zinc/38/34/95/972383495.db2.gz MLTYLYFRAVDJAE-VXGBXAGGSA-N 1 2 242.319 1.340 20 0 BDADLO CC[C@@H](CC(=O)OC)OCCn1cc[nH+]c1 ZINC001222134834 972382750 /nfs/dbraw/zinc/38/27/50/972382750.db2.gz PRESPEZOEQJSFY-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO FC1(F)C[C@@H](OCCn2cc[nH+]c2)C1(F)F ZINC001222139496 972388031 /nfs/dbraw/zinc/38/80/31/972388031.db2.gz UNLXFAMOHSFHPQ-SSDOTTSWSA-N 1 2 238.184 1.943 20 0 BDADLO COC1=CC[C@H](OCCn2cc[nH+]c2)CC1 ZINC001222139717 972388545 /nfs/dbraw/zinc/38/85/45/972388545.db2.gz UXTLJRFHARRRKS-LBPRGKRZSA-N 1 2 222.288 1.983 20 0 BDADLO CCC(=O)NCC[N@H+](C)Cc1cc(C)ns1 ZINC001267182370 959069121 /nfs/dbraw/zinc/06/91/21/959069121.db2.gz ADOONMWQAOMPOZ-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCC(=O)NCC[N@@H+](C)Cc1cc(C)ns1 ZINC001267182370 959069136 /nfs/dbraw/zinc/06/91/36/959069136.db2.gz ADOONMWQAOMPOZ-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO COc1nc(C)ccc1NCc1cc[nH+]c(N)c1 ZINC001167616688 959073899 /nfs/dbraw/zinc/07/38/99/959073899.db2.gz MPRBNCVBENSKOA-UHFFFAOYSA-N 1 2 244.298 1.988 20 0 BDADLO Nc1cc(CNc2ncc3[nH]ccc3n2)cc[nH+]1 ZINC001167615175 959077425 /nfs/dbraw/zinc/07/74/25/959077425.db2.gz RIYKPMHQRHKZNN-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO Cn1ccc(NCc2cc[nH+]c(N)c2)n1 ZINC001167617149 959084822 /nfs/dbraw/zinc/08/48/22/959084822.db2.gz IHQFNTKCTOSEEO-UHFFFAOYSA-N 1 2 203.249 1.009 20 0 BDADLO Cc1ccc(NCc2cc[nH+]c(N)c2)[n+]([O-])c1 ZINC001167617134 959084857 /nfs/dbraw/zinc/08/48/57/959084857.db2.gz WAYMRIKXSHZTBQ-UHFFFAOYSA-N 1 2 230.271 1.218 20 0 BDADLO Cc1cnc(NCc2cc[nH+]c(N)c2)nc1C ZINC001167617175 959085612 /nfs/dbraw/zinc/08/56/12/959085612.db2.gz LZXGNYRYSZODOG-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1ccc(NCc2cc[nH+]c(N)c2)cn1 ZINC001167617859 959090951 /nfs/dbraw/zinc/09/09/51/959090951.db2.gz YQACTDBRYCJZOA-UHFFFAOYSA-N 1 2 214.272 1.979 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724782527 959486969 /nfs/dbraw/zinc/48/69/69/959486969.db2.gz GBFKIDXVRMXMGC-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC000724782527 959486980 /nfs/dbraw/zinc/48/69/80/959486980.db2.gz GBFKIDXVRMXMGC-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000724782527 959486986 /nfs/dbraw/zinc/48/69/86/959486986.db2.gz GBFKIDXVRMXMGC-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC000724782527 959486988 /nfs/dbraw/zinc/48/69/88/959486988.db2.gz GBFKIDXVRMXMGC-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724787287 959526014 /nfs/dbraw/zinc/52/60/14/959526014.db2.gz ROBWAPBZTKADFN-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC000724787287 959526020 /nfs/dbraw/zinc/52/60/20/959526020.db2.gz ROBWAPBZTKADFN-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000724787287 959526025 /nfs/dbraw/zinc/52/60/25/959526025.db2.gz ROBWAPBZTKADFN-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC000724787287 959526036 /nfs/dbraw/zinc/52/60/36/959526036.db2.gz ROBWAPBZTKADFN-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO O=C([O-])c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000212816120 959717807 /nfs/dbraw/zinc/71/78/07/959717807.db2.gz WJZIXLQMVGATJA-GFCCVEGCSA-N 1 2 234.299 1.226 20 0 BDADLO CNc1cc(N2CCC(C)(OC)CC2)nc[nH+]1 ZINC000310200406 959725352 /nfs/dbraw/zinc/72/53/52/959725352.db2.gz BTUPHWSPOUPXIH-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2CCC(C)(OC)CC2)[nH+]cn1 ZINC000310200406 959725361 /nfs/dbraw/zinc/72/53/61/959725361.db2.gz BTUPHWSPOUPXIH-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO COCC[N@H+](C)Cc1c(F)ccc(N)c1F ZINC000309495762 959887600 /nfs/dbraw/zinc/88/76/00/959887600.db2.gz ZBLAQAJETDGHMM-UHFFFAOYSA-N 1 2 230.258 1.625 20 0 BDADLO COCC[N@@H+](C)Cc1c(F)ccc(N)c1F ZINC000309495762 959887611 /nfs/dbraw/zinc/88/76/11/959887611.db2.gz ZBLAQAJETDGHMM-UHFFFAOYSA-N 1 2 230.258 1.625 20 0 BDADLO Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H]1C[NH2+][C@H]1C ZINC001218384870 960027766 /nfs/dbraw/zinc/02/77/66/960027766.db2.gz FZTJEBFECOTLSL-GZMMTYOYSA-N 1 2 245.282 1.383 20 0 BDADLO Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H]1C[NH2+][C@H]1C ZINC001218384879 960028856 /nfs/dbraw/zinc/02/88/56/960028856.db2.gz FZTJEBFECOTLSL-KWQFWETISA-N 1 2 245.282 1.383 20 0 BDADLO C[C@@H](C(=O)N(C)C(C)(C)C)n1cc[nH+]c1 ZINC001327172158 972477497 /nfs/dbraw/zinc/47/74/97/972477497.db2.gz VYPHIJAUGXRBHW-VIFPVBQESA-N 1 2 209.293 1.701 20 0 BDADLO CCCCCC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001267635819 960150781 /nfs/dbraw/zinc/15/07/81/960150781.db2.gz KIHDIUIDJOOTTR-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csnn2)CC[C@@H]1O ZINC001140992793 960162298 /nfs/dbraw/zinc/16/22/98/960162298.db2.gz XYJITCDPIOJYGH-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csnn2)CC[C@@H]1O ZINC001140992793 960162300 /nfs/dbraw/zinc/16/23/00/960162300.db2.gz XYJITCDPIOJYGH-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC001141048660 960261133 /nfs/dbraw/zinc/26/11/33/960261133.db2.gz WZTRSZQHQGNRIB-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnccc2C)C[C@@H]1C ZINC001141048660 960261145 /nfs/dbraw/zinc/26/11/45/960261145.db2.gz WZTRSZQHQGNRIB-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO Clc1cnc(NCCCn2cc[nH+]c2)cn1 ZINC000396632873 960385786 /nfs/dbraw/zinc/38/57/86/960385786.db2.gz FIKKAPQESVRDQC-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140589830 960444496 /nfs/dbraw/zinc/44/44/96/960444496.db2.gz OOAYDPWBDQXSPL-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140589830 960444499 /nfs/dbraw/zinc/44/44/99/960444499.db2.gz OOAYDPWBDQXSPL-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO COc1ccc(C[N@@H+]2CCN3CC[C@H]3C2)c(C)c1 ZINC001140680700 960488434 /nfs/dbraw/zinc/48/84/34/960488434.db2.gz QKJUZCMVNUPGLT-AWEZNQCLSA-N 1 2 246.354 1.894 20 0 BDADLO COc1ccc(C[N@H+]2CCN3CC[C@H]3C2)c(C)c1 ZINC001140680700 960488444 /nfs/dbraw/zinc/48/84/44/960488444.db2.gz QKJUZCMVNUPGLT-AWEZNQCLSA-N 1 2 246.354 1.894 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC001140682684 960491201 /nfs/dbraw/zinc/49/12/01/960491201.db2.gz GHYHUFHDRVOAQB-ZDUSSCGKSA-N 1 2 237.299 1.715 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC001140682684 960491211 /nfs/dbraw/zinc/49/12/11/960491211.db2.gz GHYHUFHDRVOAQB-ZDUSSCGKSA-N 1 2 237.299 1.715 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3cnccc3C2)o1 ZINC001140680810 960491678 /nfs/dbraw/zinc/49/16/78/960491678.db2.gz XRCGFOFTJGGJDO-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3cnccc3C2)o1 ZINC001140680810 960491681 /nfs/dbraw/zinc/49/16/81/960491681.db2.gz XRCGFOFTJGGJDO-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO COc1ccc(C[N@@H+]2CCN3CC[C@@H]3C2)c(C)c1 ZINC001140680701 960493005 /nfs/dbraw/zinc/49/30/05/960493005.db2.gz QKJUZCMVNUPGLT-CQSZACIVSA-N 1 2 246.354 1.894 20 0 BDADLO COc1ccc(C[N@H+]2CCN3CC[C@@H]3C2)c(C)c1 ZINC001140680701 960493023 /nfs/dbraw/zinc/49/30/23/960493023.db2.gz QKJUZCMVNUPGLT-CQSZACIVSA-N 1 2 246.354 1.894 20 0 BDADLO C[C@@H](CC(=O)NC/C=C\C1CC1)n1cc[nH+]c1 ZINC001327223893 972508328 /nfs/dbraw/zinc/50/83/28/972508328.db2.gz VSANKUUKKINLEP-QUCGXOGASA-N 1 2 233.315 1.917 20 0 BDADLO CC(F)(F)C1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC001327239441 972511439 /nfs/dbraw/zinc/51/14/39/972511439.db2.gz IOWUJVIISGKQGL-UHFFFAOYSA-N 1 2 244.241 1.862 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cn1 ZINC001327253215 972518510 /nfs/dbraw/zinc/51/85/10/972518510.db2.gz DKINBIHDURXTEK-MWLCHTKSSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)n[nH]1 ZINC001203070570 960623316 /nfs/dbraw/zinc/62/33/16/960623316.db2.gz ZFEBRNJEMRNRQF-CYBMUJFWSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)n[nH]1 ZINC001203070570 960623324 /nfs/dbraw/zinc/62/33/24/960623324.db2.gz ZFEBRNJEMRNRQF-CYBMUJFWSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1C ZINC001140864613 960645571 /nfs/dbraw/zinc/64/55/71/960645571.db2.gz YVZVTUVKQKXYAA-NWDGAFQWSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1C ZINC001140864613 960645590 /nfs/dbraw/zinc/64/55/90/960645590.db2.gz YVZVTUVKQKXYAA-NWDGAFQWSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1C ZINC001140864612 960649328 /nfs/dbraw/zinc/64/93/28/960649328.db2.gz YVZVTUVKQKXYAA-NEPJUHHUSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCO[C@H]3C[C@H]32)c1C ZINC001140864612 960649333 /nfs/dbraw/zinc/64/93/33/960649333.db2.gz YVZVTUVKQKXYAA-NEPJUHHUSA-N 1 2 206.289 1.605 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1c(N)cccc1F ZINC001140878012 960659271 /nfs/dbraw/zinc/65/92/71/960659271.db2.gz MDSIVBXAHUUBIB-ZDUSSCGKSA-N 1 2 236.290 1.961 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1c(N)cccc1F ZINC001140878012 960659280 /nfs/dbraw/zinc/65/92/80/960659280.db2.gz MDSIVBXAHUUBIB-ZDUSSCGKSA-N 1 2 236.290 1.961 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140888052 960668438 /nfs/dbraw/zinc/66/84/38/960668438.db2.gz LZNVUMNVPYJQCY-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140888052 960668444 /nfs/dbraw/zinc/66/84/44/960668444.db2.gz LZNVUMNVPYJQCY-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@H]2c2cnccn2)o1 ZINC001140931697 960694285 /nfs/dbraw/zinc/69/42/85/960694285.db2.gz QDCSDIGKGPAJEZ-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@H]2c2cnccn2)o1 ZINC001140931697 960694290 /nfs/dbraw/zinc/69/42/90/960694290.db2.gz QDCSDIGKGPAJEZ-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)n[nH]1 ZINC001203084169 960769114 /nfs/dbraw/zinc/76/91/14/960769114.db2.gz SDHRBYKWNPINPG-ZYHUDNBSSA-N 1 2 233.315 1.519 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)n[nH]1 ZINC001203084169 960769127 /nfs/dbraw/zinc/76/91/27/960769127.db2.gz SDHRBYKWNPINPG-ZYHUDNBSSA-N 1 2 233.315 1.519 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140988360 960779832 /nfs/dbraw/zinc/77/98/32/960779832.db2.gz XQKARAURQOTKIX-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140988360 960779850 /nfs/dbraw/zinc/77/98/50/960779850.db2.gz XQKARAURQOTKIX-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO c1coc(C[N@@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001141007494 960807181 /nfs/dbraw/zinc/80/71/81/960807181.db2.gz OXYIJBAOOZJQMD-LLVKDONJSA-N 1 2 208.261 1.430 20 0 BDADLO c1coc(C[N@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001141007494 960807184 /nfs/dbraw/zinc/80/71/84/960807184.db2.gz OXYIJBAOOZJQMD-LLVKDONJSA-N 1 2 208.261 1.430 20 0 BDADLO CCC1(O)CC[NH+](Cc2ncco2)CC1 ZINC001141007307 960809468 /nfs/dbraw/zinc/80/94/68/960809468.db2.gz HDNLFLUMFPPMEV-UHFFFAOYSA-N 1 2 210.277 1.412 20 0 BDADLO c1coc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC001141010230 960814167 /nfs/dbraw/zinc/81/41/67/960814167.db2.gz JZOQXXJPHJSRRK-JTQLQIEISA-N 1 2 233.275 1.103 20 0 BDADLO c1coc(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC001141010230 960814182 /nfs/dbraw/zinc/81/41/82/960814182.db2.gz JZOQXXJPHJSRRK-JTQLQIEISA-N 1 2 233.275 1.103 20 0 BDADLO c1coc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)n1 ZINC001141012758 960814726 /nfs/dbraw/zinc/81/47/26/960814726.db2.gz ZGYWWNQWOUHYDZ-JTQLQIEISA-N 1 2 246.270 1.118 20 0 BDADLO c1coc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)n1 ZINC001141012758 960814727 /nfs/dbraw/zinc/81/47/27/960814727.db2.gz ZGYWWNQWOUHYDZ-JTQLQIEISA-N 1 2 246.270 1.118 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141047524 960833601 /nfs/dbraw/zinc/83/36/01/960833601.db2.gz LBODQCWZRGDGRK-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccn2ccnc2c1 ZINC001141047524 960833604 /nfs/dbraw/zinc/83/36/04/960833604.db2.gz LBODQCWZRGDGRK-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001141051600 960840036 /nfs/dbraw/zinc/84/00/36/960840036.db2.gz HVEHBUWVRCRGJO-ZJUUUORDSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001141051600 960840051 /nfs/dbraw/zinc/84/00/51/960840051.db2.gz HVEHBUWVRCRGJO-ZJUUUORDSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1nc2c(s1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC001203095405 960870692 /nfs/dbraw/zinc/87/06/92/960870692.db2.gz WPRAAHHOFKHIRT-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1nc2c(s1)C[N@@H+](Cc1cn[nH]c1)CC2 ZINC001203095405 960870701 /nfs/dbraw/zinc/87/07/01/960870701.db2.gz WPRAAHHOFKHIRT-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2cocn2)CC1 ZINC001141132156 960880328 /nfs/dbraw/zinc/88/03/28/960880328.db2.gz XCAPNKAOTXOEAO-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cocn2)CC1 ZINC001141132156 960880330 /nfs/dbraw/zinc/88/03/30/960880330.db2.gz XCAPNKAOTXOEAO-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC12CCOCC2 ZINC001141160695 960897227 /nfs/dbraw/zinc/89/72/27/960897227.db2.gz BCKCSVDRHJPGHI-JTQLQIEISA-N 1 2 249.314 1.028 20 0 BDADLO Nc1ccc[nH+]c1Nc1cccc(CCO)c1 ZINC001203105665 960954883 /nfs/dbraw/zinc/95/48/83/960954883.db2.gz AMUXJVXPOWJMII-UHFFFAOYSA-N 1 2 229.283 1.942 20 0 BDADLO CCc1ccccc1C[NH+]1CC(OC(C)=O)C1 ZINC001141227098 960992364 /nfs/dbraw/zinc/99/23/64/960992364.db2.gz UOPFGCSZGVYWBY-UHFFFAOYSA-N 1 2 233.311 1.996 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](F)C1 ZINC001141258599 961025692 /nfs/dbraw/zinc/02/56/92/961025692.db2.gz RFKVUXQCXPUKIC-NXEZZACHSA-N 1 2 237.278 1.016 20 0 BDADLO OCC1(Nc2ccc3c([nH+]2)CCOC3)CCCC1 ZINC001167803773 961052203 /nfs/dbraw/zinc/05/22/03/961052203.db2.gz FOFPDRCWPXUNDF-UHFFFAOYSA-N 1 2 248.326 1.871 20 0 BDADLO CCCC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001481541934 961148592 /nfs/dbraw/zinc/14/85/92/961148592.db2.gz QPUGKEXQXKQZQS-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061919326 961375179 /nfs/dbraw/zinc/37/51/79/961375179.db2.gz AADDCRMUHGAHRM-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000061919326 961375199 /nfs/dbraw/zinc/37/51/99/961375199.db2.gz AADDCRMUHGAHRM-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)/C=C/C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001142664688 961571634 /nfs/dbraw/zinc/57/16/34/961571634.db2.gz DUCZVYWLWUZFSV-ZYOFXKKJSA-N 1 2 240.347 1.036 20 0 BDADLO CC(C)/C=C/C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001142664688 961571657 /nfs/dbraw/zinc/57/16/57/961571657.db2.gz DUCZVYWLWUZFSV-ZYOFXKKJSA-N 1 2 240.347 1.036 20 0 BDADLO CC(C)CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001142707406 961661971 /nfs/dbraw/zinc/66/19/71/961661971.db2.gz YXXVGKNOANJCCF-UHFFFAOYSA-N 1 2 221.304 1.314 20 0 BDADLO COC1(C)C[NH+](Cc2cccc3nonc32)C1 ZINC001203124149 961720766 /nfs/dbraw/zinc/72/07/66/961720766.db2.gz GEFSNRSDHFWIDB-UHFFFAOYSA-N 1 2 233.271 1.444 20 0 BDADLO C[N@@H+]1CCC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001142770879 961723522 /nfs/dbraw/zinc/72/35/22/961723522.db2.gz NEGWAFDRTNOQTD-MRVPVSSYSA-N 1 2 224.226 1.149 20 0 BDADLO CN1CC[N@H+](C/C=C\c2ccccc2)C[C@@H]1CO ZINC000687597146 961854338 /nfs/dbraw/zinc/85/43/38/961854338.db2.gz NECDNZJGRRXKMF-GTBONMDNSA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C\c2ccccc2)C[C@@H]1CO ZINC000687597146 961854341 /nfs/dbraw/zinc/85/43/41/961854341.db2.gz NECDNZJGRRXKMF-GTBONMDNSA-N 1 2 246.354 1.308 20 0 BDADLO COc1cc(C)cc(C[NH+]2CC(C)(O)C2)c1 ZINC001143150798 961890004 /nfs/dbraw/zinc/89/00/04/961890004.db2.gz WFGLNJVVGYGYBB-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Oc2cccc(C)c2)C[N@@H+]1C ZINC001225240601 961907169 /nfs/dbraw/zinc/90/71/69/961907169.db2.gz CWFMBWOLSOTPLV-OLZOCXBDSA-N 1 2 249.310 1.620 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Oc2cccc(C)c2)C[N@H+]1C ZINC001225240601 961907193 /nfs/dbraw/zinc/90/71/93/961907193.db2.gz CWFMBWOLSOTPLV-OLZOCXBDSA-N 1 2 249.310 1.620 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(N)n1 ZINC001143207996 961943343 /nfs/dbraw/zinc/94/33/43/961943343.db2.gz NREUZHZIHWKGAB-CYBMUJFWSA-N 1 2 247.342 1.583 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(N)n1 ZINC001143207996 961943353 /nfs/dbraw/zinc/94/33/53/961943353.db2.gz NREUZHZIHWKGAB-CYBMUJFWSA-N 1 2 247.342 1.583 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167931585 962062973 /nfs/dbraw/zinc/06/29/73/962062973.db2.gz OSKIAOVUKIJILJ-QGKZMRNZSA-N 1 2 227.279 1.370 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167931585 962062990 /nfs/dbraw/zinc/06/29/90/962062990.db2.gz OSKIAOVUKIJILJ-QGKZMRNZSA-N 1 2 227.279 1.370 20 0 BDADLO COc1ccc(Nc2ccn3cc[nH+]c3c2)nn1 ZINC001204950639 962153333 /nfs/dbraw/zinc/15/33/33/962153333.db2.gz CGVREIUKSLNCLO-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(F)c1 ZINC001151648039 962313347 /nfs/dbraw/zinc/31/33/47/962313347.db2.gz KGSRCFXAUDITDK-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO Cc1cc(O)ccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001151575830 962314047 /nfs/dbraw/zinc/31/40/47/962314047.db2.gz FDSAWNDZMDBBTD-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000048573381 962432229 /nfs/dbraw/zinc/43/22/29/962432229.db2.gz SCBOFENUIFSHJK-GHMZBOCLSA-N 1 2 247.298 1.785 20 0 BDADLO C[C@H]1CCN1C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152970672 962507383 /nfs/dbraw/zinc/50/73/83/962507383.db2.gz BVIAAFYRNMRMFD-QMMMGPOBSA-N 1 2 215.256 1.797 20 0 BDADLO CN(C(=O)c1c[nH]c2cc[nH+]cc21)C1(C)COC1 ZINC001152976643 962507410 /nfs/dbraw/zinc/50/74/10/962507410.db2.gz WNVQICSSXJJWOE-UHFFFAOYSA-N 1 2 245.282 1.424 20 0 BDADLO CCN(C)C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154213951 962737004 /nfs/dbraw/zinc/73/70/04/962737004.db2.gz PUEOQOGEFFAYQM-UHFFFAOYSA-N 1 2 239.344 1.223 20 0 BDADLO CCN(C)C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154213951 962737015 /nfs/dbraw/zinc/73/70/15/962737015.db2.gz PUEOQOGEFFAYQM-UHFFFAOYSA-N 1 2 239.344 1.223 20 0 BDADLO CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001269754882 962783373 /nfs/dbraw/zinc/78/33/73/962783373.db2.gz FQAXOYSUWFLTBM-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO Cn1ccnc1NC(=O)c1cccc2[nH+]ccn21 ZINC001154517900 962788715 /nfs/dbraw/zinc/78/87/15/962788715.db2.gz PDQSBBXKFICDKY-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO CCCOCCNC(=O)c1cccc2[nH+]ccn21 ZINC001154526234 962793612 /nfs/dbraw/zinc/79/36/12/962793612.db2.gz NAVSGLOKEJKXPY-UHFFFAOYSA-N 1 2 247.298 1.491 20 0 BDADLO O=C(NCCC1COC1)c1cccc2[nH+]ccn21 ZINC001154526397 962794916 /nfs/dbraw/zinc/79/49/16/962794916.db2.gz QWKMJUFKJNYKDT-UHFFFAOYSA-N 1 2 245.282 1.101 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001154801857 962853040 /nfs/dbraw/zinc/85/30/40/962853040.db2.gz KOHXYXWEERPDCW-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO C=Cc1ccc(NC[C@H]2CCNC(=O)C2)[nH+]c1 ZINC001154935385 962910027 /nfs/dbraw/zinc/91/00/27/962910027.db2.gz ZGKWMFSEWVAUFO-NSHDSACASA-N 1 2 231.299 1.663 20 0 BDADLO CN(C)c1cncc(NC(=[NH2+])C(C)(C)C)n1 ZINC001155175703 963001169 /nfs/dbraw/zinc/00/11/69/963001169.db2.gz HVYRFLFIOLTTQQ-UHFFFAOYSA-N 1 2 221.308 1.978 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)[nH]1 ZINC001206658318 963154735 /nfs/dbraw/zinc/15/47/35/963154735.db2.gz VKOXAKUKEAVDRH-NSHDSACASA-N 1 2 243.301 1.800 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](N)C2)[nH]1 ZINC001206658318 963154745 /nfs/dbraw/zinc/15/47/45/963154745.db2.gz VKOXAKUKEAVDRH-NSHDSACASA-N 1 2 243.301 1.800 20 0 BDADLO N[C@H]1C[N@H+](Cc2cccc(O)c2)CCC1(F)F ZINC001206657983 963155753 /nfs/dbraw/zinc/15/57/53/963155753.db2.gz SNAMQQWOHBMUNC-NSHDSACASA-N 1 2 242.269 1.561 20 0 BDADLO N[C@H]1C[N@@H+](Cc2cccc(O)c2)CCC1(F)F ZINC001206657983 963155760 /nfs/dbraw/zinc/15/57/60/963155760.db2.gz SNAMQQWOHBMUNC-NSHDSACASA-N 1 2 242.269 1.561 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnn(C)c2)CCC1=O ZINC001204979373 963288206 /nfs/dbraw/zinc/28/82/06/963288206.db2.gz SNRTUNMWGYVVAT-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)CCC1=O ZINC001204979373 963288214 /nfs/dbraw/zinc/28/82/14/963288214.db2.gz SNRTUNMWGYVVAT-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C)c(C)n2)C[NH2+]1 ZINC001156242125 963293130 /nfs/dbraw/zinc/29/31/30/963293130.db2.gz AQTHXJOPTYMNRG-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCF ZINC001156252359 963295478 /nfs/dbraw/zinc/29/54/78/963295478.db2.gz XFVMZQFGTRLXBC-UHFFFAOYSA-N 1 2 247.273 1.501 20 0 BDADLO COCc1cc[nH+]c(NCCc2cnoc2)c1 ZINC001161698382 963338730 /nfs/dbraw/zinc/33/87/30/963338730.db2.gz UJLHYOUYJBMRAW-UHFFFAOYSA-N 1 2 233.271 1.871 20 0 BDADLO CC[NH+]1CC(Oc2ccc3ccc(=O)oc3c2)C1 ZINC001226907846 963401744 /nfs/dbraw/zinc/40/17/44/963401744.db2.gz FGABKNVOHHUNIX-UHFFFAOYSA-N 1 2 245.278 1.876 20 0 BDADLO C[NH2+][C@@H]1CCN1c1nc2[nH]cnc2cc1Cl ZINC001156660991 963433917 /nfs/dbraw/zinc/43/39/17/963433917.db2.gz WIPSADNCCJONDU-QMMMGPOBSA-N 1 2 237.694 1.367 20 0 BDADLO Nc1[nH]c2cc(C(=O)Nc3cc[nH]n3)ccc2[nH+]1 ZINC001156964320 963502383 /nfs/dbraw/zinc/50/23/83/963502383.db2.gz KPSDMHGAILCRJE-UHFFFAOYSA-N 1 2 242.242 1.121 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052709892 963517977 /nfs/dbraw/zinc/51/79/77/963517977.db2.gz LSJCVSHQVZKINR-SNVBAGLBSA-N 1 2 221.304 1.344 20 0 BDADLO CNc1ncccc1C[N@H+]1CCO[C@H](C)C1 ZINC000052709892 963517980 /nfs/dbraw/zinc/51/79/80/963517980.db2.gz LSJCVSHQVZKINR-SNVBAGLBSA-N 1 2 221.304 1.344 20 0 BDADLO CC/C=C(/C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910186 963521372 /nfs/dbraw/zinc/52/13/72/963521372.db2.gz KSKURWFYBKQUBJ-VURMDHGXSA-N 1 2 221.304 1.999 20 0 BDADLO CCC=C(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910186 963521377 /nfs/dbraw/zinc/52/13/77/963521377.db2.gz KSKURWFYBKQUBJ-VURMDHGXSA-N 1 2 221.304 1.999 20 0 BDADLO CCOC(=O)c1cc(C)cc(NC=[NH2+])n1 ZINC001157073492 963522082 /nfs/dbraw/zinc/52/20/82/963522082.db2.gz OBIIAEQDKHELRP-UHFFFAOYSA-N 1 2 207.233 1.586 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccno2)nc[nH+]1 ZINC001157351557 963580182 /nfs/dbraw/zinc/58/01/82/963580182.db2.gz ZXRCWNAVDBFYRV-UHFFFAOYSA-N 1 2 233.275 1.167 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccno2)[nH+]cn1 ZINC001157351557 963580188 /nfs/dbraw/zinc/58/01/88/963580188.db2.gz ZXRCWNAVDBFYRV-UHFFFAOYSA-N 1 2 233.275 1.167 20 0 BDADLO CCN(c1ccc(Cl)c[n+]1[O-])C1C[NH+](C)C1 ZINC001157456041 963613857 /nfs/dbraw/zinc/61/38/57/963613857.db2.gz JVWWZJOINMRHAS-UHFFFAOYSA-N 1 2 241.722 1.114 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168076655 963616997 /nfs/dbraw/zinc/61/69/97/963616997.db2.gz ZHQVGVMLWPFDDC-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO CCOc1nccnc1N(CC)C1C[NH+](C)C1 ZINC001157461747 963619897 /nfs/dbraw/zinc/61/98/97/963619897.db2.gz RFCRELDREGZKQM-UHFFFAOYSA-N 1 2 236.319 1.016 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ncccc1F ZINC001157459836 963620294 /nfs/dbraw/zinc/62/02/94/963620294.db2.gz JXTAHURYMONHQL-UHFFFAOYSA-N 1 2 234.278 1.944 20 0 BDADLO COc1c[nH+]c(NC[C@H]2C[C@@](C)(O)C2)c(C)c1 ZINC001157554372 963659396 /nfs/dbraw/zinc/65/93/96/963659396.db2.gz LWWCZGADOVLFBG-GSJFWJNXSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1cnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cn1 ZINC001157580703 963668956 /nfs/dbraw/zinc/66/89/56/963668956.db2.gz DXSYYKJSSUAWRL-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cnc(N[C@@H]2CCC[N@H+](C3COC3)C2)cn1 ZINC001157580703 963668958 /nfs/dbraw/zinc/66/89/58/963668958.db2.gz DXSYYKJSSUAWRL-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO COc1c[nH+]c(NCC2CC(=O)C2)c(C)c1 ZINC001157608660 963677464 /nfs/dbraw/zinc/67/74/64/963677464.db2.gz ZPMDGGYLCKXQCH-UHFFFAOYSA-N 1 2 220.272 1.790 20 0 BDADLO Nc1[nH+]c(NCCn2cnnc2)ccc1Cl ZINC001158038984 963797368 /nfs/dbraw/zinc/79/73/68/963797368.db2.gz QWAZLHLYBSPZSB-UHFFFAOYSA-N 1 2 238.682 1.021 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2OCCO2)[nH+]1 ZINC001158196521 963826481 /nfs/dbraw/zinc/82/64/81/963826481.db2.gz NWNRBVJIGYAKBY-UHFFFAOYSA-N 1 2 234.259 1.051 20 0 BDADLO COc1cccnc1C[NH+]1CC2(CSC2)C1 ZINC001206665977 963833377 /nfs/dbraw/zinc/83/33/77/963833377.db2.gz JSEWTSANECGJQJ-UHFFFAOYSA-N 1 2 236.340 1.639 20 0 BDADLO CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471623 963880210 /nfs/dbraw/zinc/88/02/10/963880210.db2.gz MJPFDRBKHMCUGD-ZCFIWIBFSA-N 1 2 230.205 1.003 20 0 BDADLO CC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158471623 963880213 /nfs/dbraw/zinc/88/02/13/963880213.db2.gz MJPFDRBKHMCUGD-ZCFIWIBFSA-N 1 2 230.205 1.003 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@H](O)C(F)(F)F ZINC001158537594 963884882 /nfs/dbraw/zinc/88/48/82/963884882.db2.gz CEQHJXVLZRXHTK-ZETCQYMHSA-N 1 2 238.184 1.864 20 0 BDADLO CC(C)c1coc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC001158677793 963900826 /nfs/dbraw/zinc/90/08/26/963900826.db2.gz OHEPJCWFEVTTJC-UHFFFAOYSA-N 1 2 248.286 1.713 20 0 BDADLO COCc1cc[nH+]c(NCc2ncccc2O)c1 ZINC001158775110 963922825 /nfs/dbraw/zinc/92/28/25/963922825.db2.gz XGHWCGXATURWOM-UHFFFAOYSA-N 1 2 245.282 1.941 20 0 BDADLO Cc1nc2c(ccn2C)c(N[C@H]2C[C@@H](CO)C2)[nH+]1 ZINC001168239832 964040091 /nfs/dbraw/zinc/04/00/91/964040091.db2.gz PLBUMLCQJBTJHI-AOOOYVTPSA-N 1 2 246.314 1.460 20 0 BDADLO COc1c[nH+]c(NCC(C)(OC)OC)c(C)c1 ZINC001159378024 964071310 /nfs/dbraw/zinc/07/13/10/964071310.db2.gz WHAQOGPERMRVKL-UHFFFAOYSA-N 1 2 240.303 1.820 20 0 BDADLO [NH3+]Cc1nccnc1Nc1ncc(Cl)cn1 ZINC001160243984 964270879 /nfs/dbraw/zinc/27/08/79/964270879.db2.gz BEKFVUOOMGCAAQ-UHFFFAOYSA-N 1 2 236.666 1.122 20 0 BDADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CC1(F)F ZINC001160600137 964348384 /nfs/dbraw/zinc/34/83/84/964348384.db2.gz PNKAFVWBBDHMEO-JTQLQIEISA-N 1 2 241.241 1.271 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)(F)CC)[C@H]1OC ZINC000697634207 964371053 /nfs/dbraw/zinc/37/10/53/964371053.db2.gz OQDROTYLAROIGG-IVZWLZJFSA-N 1 2 237.290 1.814 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001142549937 964391059 /nfs/dbraw/zinc/39/10/59/964391059.db2.gz AVXOTWGFJMJCDC-AWEZNQCLSA-N 1 2 247.342 1.825 20 0 BDADLO CCC1(Nc2ccn3cc[nH+]c3c2)COC1 ZINC001168324552 964447314 /nfs/dbraw/zinc/44/73/14/964447314.db2.gz YJBUFIMWZXGSES-UHFFFAOYSA-N 1 2 217.272 1.925 20 0 BDADLO CCC1(Nc2cc(N3CCCC3)nc[nH+]2)COC1 ZINC001168322573 964447923 /nfs/dbraw/zinc/44/79/23/964447923.db2.gz YYHNNUAAPOTLKY-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO CCC1(Nc2cc(N3CCCC3)[nH+]cn2)COC1 ZINC001168322573 964447930 /nfs/dbraw/zinc/44/79/30/964447930.db2.gz YYHNNUAAPOTLKY-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO N=c1ccc(F)c(N)n1-c1cccc2[nH]c[nH+]c21 ZINC001213027954 964454123 /nfs/dbraw/zinc/45/41/23/964454123.db2.gz BOYIAOATHAHKPN-UHFFFAOYSA-N 1 2 243.245 1.554 20 0 BDADLO C=Cc1ccc(NC[C@@H]2C[C@H]2C(=O)OC)[nH+]c1 ZINC001161045951 964499601 /nfs/dbraw/zinc/49/96/01/964499601.db2.gz ZMZIAZPZXPXBFK-WDEREUQCSA-N 1 2 232.283 1.946 20 0 BDADLO C=Cc1ccc(NC[C@H]2C[C@@H]2C(=O)OC)[nH+]c1 ZINC001161045946 964500292 /nfs/dbraw/zinc/50/02/92/964500292.db2.gz ZMZIAZPZXPXBFK-MNOVXSKESA-N 1 2 232.283 1.946 20 0 BDADLO O=c1[nH]cncc1Nc1cccc2[nH+]c[nH]c21 ZINC001213029294 964514417 /nfs/dbraw/zinc/51/44/17/964514417.db2.gz KTCUFNUZIVKECF-UHFFFAOYSA-N 1 2 227.227 1.802 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccco1 ZINC001161658697 964670898 /nfs/dbraw/zinc/67/08/98/964670898.db2.gz GHVQHQAHHVSXIZ-GHMZBOCLSA-N 1 2 245.282 1.539 20 0 BDADLO c1cc2c(NCCCn3cc[nH+]c3)ncnn2c1 ZINC001161687799 964688938 /nfs/dbraw/zinc/68/89/38/964688938.db2.gz DPGQGCKUQLMTMN-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO COc1cc[nH+]cc1N[C@@H](CO)C(C)C ZINC001161740509 964727761 /nfs/dbraw/zinc/72/77/61/964727761.db2.gz ISPFLXDSJJNMKA-JTQLQIEISA-N 1 2 210.277 1.519 20 0 BDADLO Cc1cc(C[NH+]2CC(C(N)=O)C2)cc(F)c1F ZINC001143609800 964735573 /nfs/dbraw/zinc/73/55/73/964735573.db2.gz KXVZPJIANHNGDJ-UHFFFAOYSA-N 1 2 240.253 1.190 20 0 BDADLO Cc1cc(C[NH+]2CC(CO)C2)cc(F)c1F ZINC001143607262 964735957 /nfs/dbraw/zinc/73/59/57/964735957.db2.gz NXDPOUFSGJAFCY-UHFFFAOYSA-N 1 2 227.254 1.697 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)C1(C3CC3)CC1)C2 ZINC001272256081 964788966 /nfs/dbraw/zinc/78/89/66/964788966.db2.gz XYQQGXVLSZZREC-UHFFFAOYSA-N 1 2 220.316 1.093 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)C1(C3CC3)CC1)C2 ZINC001272256081 964788970 /nfs/dbraw/zinc/78/89/70/964788970.db2.gz XYQQGXVLSZZREC-UHFFFAOYSA-N 1 2 220.316 1.093 20 0 BDADLO CCN(C)c1cc(NC2CCOCC2)[nH+]cn1 ZINC001161861890 964796721 /nfs/dbraw/zinc/79/67/21/964796721.db2.gz TYGYPODPDPEUFW-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCN(C)c1cc(NC2CCOCC2)nc[nH+]1 ZINC001161861890 964796732 /nfs/dbraw/zinc/79/67/32/964796732.db2.gz TYGYPODPDPEUFW-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO Cc1cccnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168367290 964823205 /nfs/dbraw/zinc/82/32/05/964823205.db2.gz KONZHRTYPGTIJK-GFCCVEGCSA-N 1 2 247.342 1.665 20 0 BDADLO Cc1cccnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168367290 964823208 /nfs/dbraw/zinc/82/32/08/964823208.db2.gz KONZHRTYPGTIJK-GFCCVEGCSA-N 1 2 247.342 1.665 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1nccc2occc21 ZINC001161945371 964830120 /nfs/dbraw/zinc/83/01/20/964830120.db2.gz IOKAQMGVKDOYOI-SECBINFHSA-N 1 2 249.270 1.130 20 0 BDADLO CCN(C)c1cc(NC2CC(F)C2)[nH+]cn1 ZINC001162210227 964870608 /nfs/dbraw/zinc/87/06/08/964870608.db2.gz WXEFSQKCHSPOKG-UHFFFAOYSA-N 1 2 224.283 1.845 20 0 BDADLO CCN(C)c1cc(NC2CC(F)C2)nc[nH+]1 ZINC001162210227 964870610 /nfs/dbraw/zinc/87/06/10/964870610.db2.gz WXEFSQKCHSPOKG-UHFFFAOYSA-N 1 2 224.283 1.845 20 0 BDADLO COc1cc[nH+]cc1NC[C@H](O)c1ccco1 ZINC001162257269 964891186 /nfs/dbraw/zinc/89/11/86/964891186.db2.gz DWQMLEFZHJTVAV-JTQLQIEISA-N 1 2 234.255 1.829 20 0 BDADLO CSc1cc(NCc2ncon2)nc(C)[nH+]1 ZINC001162277439 964903329 /nfs/dbraw/zinc/90/33/29/964903329.db2.gz SPQQYSGZBHPHHK-UHFFFAOYSA-N 1 2 237.288 1.502 20 0 BDADLO CCCC[C@H](Nc1[nH+]ccc(F)c1C)C(N)=O ZINC001162279668 964905989 /nfs/dbraw/zinc/90/59/89/964905989.db2.gz RUPNYVAJKIXBBC-JTQLQIEISA-N 1 2 239.294 1.985 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1CCC[C@H]1CO ZINC001162608024 965075747 /nfs/dbraw/zinc/07/57/47/965075747.db2.gz PSMTWPKNXVOBDR-QWRGUYRKSA-N 1 2 236.315 1.972 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H]2CCCCO2)n1 ZINC000087420019 965298152 /nfs/dbraw/zinc/29/81/52/965298152.db2.gz IWJHZBFTRBBGPF-SECBINFHSA-N 1 2 225.292 1.291 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1Cc2cncnc2C1 ZINC001232339950 965348491 /nfs/dbraw/zinc/34/84/91/965348491.db2.gz IYSYEHZXZRCBHT-UHFFFAOYSA-N 1 2 241.298 1.278 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@@H+]1CCOCC12CCC2 ZINC001232429460 965352984 /nfs/dbraw/zinc/35/29/84/965352984.db2.gz QIUGWWBCUCUOMC-UHFFFAOYSA-N 1 2 247.342 1.653 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@H+]1CCOCC12CCC2 ZINC001232429460 965352994 /nfs/dbraw/zinc/35/29/94/965352994.db2.gz QIUGWWBCUCUOMC-UHFFFAOYSA-N 1 2 247.342 1.653 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968440 965444399 /nfs/dbraw/zinc/44/43/99/965444399.db2.gz BAVSXQNMZUORPL-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968440 965444404 /nfs/dbraw/zinc/44/44/04/965444404.db2.gz BAVSXQNMZUORPL-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO FC1CN(C2CN(c3ccc4c([nH+]3)CCC4)C2)C1 ZINC001163755639 965568018 /nfs/dbraw/zinc/56/80/18/965568018.db2.gz QZCXUFKLCDQXLQ-UHFFFAOYSA-N 1 2 247.317 1.413 20 0 BDADLO Cc1c[nH+]c(N2CCN(C3COC3)CC2)cc1C ZINC001163752456 965570186 /nfs/dbraw/zinc/57/01/86/965570186.db2.gz HEWXQYAQGIFWNI-UHFFFAOYSA-N 1 2 247.342 1.219 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC(C)C)C[N@@H+]1C ZINC001205085618 965620484 /nfs/dbraw/zinc/62/04/84/965620484.db2.gz OVPALZPNBJMQSL-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC(C)C)C[N@H+]1C ZINC001205085618 965620493 /nfs/dbraw/zinc/62/04/93/965620493.db2.gz OVPALZPNBJMQSL-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO Cc1c[nH+]c(N2CC=CC2)nc1N1CCCC1 ZINC001163915420 965623931 /nfs/dbraw/zinc/62/39/31/965623931.db2.gz AGQWPBARAFACTG-UHFFFAOYSA-N 1 2 230.315 1.761 20 0 BDADLO CC(C)c1ccc(N2C[C@@H](O)[C@@H](F)C2)[nH+]c1 ZINC001164112659 965740008 /nfs/dbraw/zinc/74/00/08/965740008.db2.gz CPWDONFLFKDYDV-WDEREUQCSA-N 1 2 224.279 1.724 20 0 BDADLO CNc1cc(N2CC[C@H]3C[C@H]3C2)nc[nH+]1 ZINC000699172844 965799331 /nfs/dbraw/zinc/79/93/31/965799331.db2.gz XNISWHFQRGVEGG-IUCAKERBSA-N 1 2 204.277 1.365 20 0 BDADLO CNc1cc(N2CC[C@H]3C[C@H]3C2)[nH+]cn1 ZINC000699172844 965799337 /nfs/dbraw/zinc/79/93/37/965799337.db2.gz XNISWHFQRGVEGG-IUCAKERBSA-N 1 2 204.277 1.365 20 0 BDADLO Cc1nc(NCC[C@H](C)NC(=O)C2CC2)cc[nH+]1 ZINC001106200275 965816334 /nfs/dbraw/zinc/81/63/34/965816334.db2.gz VWXJHNOKAVVTFH-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO C[C@@H](Cc1cccc(F)c1)[NH+]1CC(O)C1 ZINC001168473380 965853202 /nfs/dbraw/zinc/85/32/02/965853202.db2.gz DXIWVJKOTORZJI-VIFPVBQESA-N 1 2 209.264 1.433 20 0 BDADLO OCC1(C[NH2+]c2ccc(O)cc2)CCC1 ZINC001164361792 965859144 /nfs/dbraw/zinc/85/91/44/965859144.db2.gz IHXCAIBTIOWLAR-UHFFFAOYSA-N 1 2 207.273 1.967 20 0 BDADLO Cc1[nH+]cccc1NCCCc1c[nH][nH]c1=O ZINC001164382656 965869211 /nfs/dbraw/zinc/86/92/11/965869211.db2.gz PRHSALHIHOWWNB-JTQLQIEISA-N 1 2 232.287 1.314 20 0 BDADLO FC1(F)C[NH2+]CCN(c2ncc(Cl)cn2)C1 ZINC001164488240 965895174 /nfs/dbraw/zinc/89/51/74/965895174.db2.gz ARGLZZHDSVJHSO-UHFFFAOYSA-N 1 2 248.664 1.175 20 0 BDADLO COC(=O)CNc1cccc(-c2c[nH+]cn2C)c1 ZINC001164566547 965916904 /nfs/dbraw/zinc/91/69/04/965916904.db2.gz UKBQTFUQJZHBEI-UHFFFAOYSA-N 1 2 245.282 1.672 20 0 BDADLO Cc1c[nH+]c(N2CCN(CCF)CC2)c(C)c1 ZINC001165103817 965959101 /nfs/dbraw/zinc/95/91/01/965959101.db2.gz BHZKBZVRHPKTSO-UHFFFAOYSA-N 1 2 237.322 1.790 20 0 BDADLO CCCc1cc(N2CC[C@](C)(O)C2)nc(C)[nH+]1 ZINC001165227735 965994887 /nfs/dbraw/zinc/99/48/87/965994887.db2.gz DQPMEWCCXIRROR-ZDUSSCGKSA-N 1 2 235.331 1.699 20 0 BDADLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)C1CC1 ZINC001106650085 966030259 /nfs/dbraw/zinc/03/02/59/966030259.db2.gz XRJHSUIHUFJLBG-UHFFFAOYSA-N 1 2 248.330 1.455 20 0 BDADLO CNc1ccc(Nc2cn(CCOC)cn2)c[nH+]1 ZINC001203453232 966058622 /nfs/dbraw/zinc/05/86/22/966058622.db2.gz ZDYRTLLVDDDRNZ-UHFFFAOYSA-N 1 2 247.302 1.710 20 0 BDADLO C[C@H](CCO)Nc1ccn2cc[nH+]c2c1 ZINC001165906475 966197312 /nfs/dbraw/zinc/19/73/12/966197312.db2.gz XUDSDOPUCNEQKN-SECBINFHSA-N 1 2 205.261 1.517 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000699981507 966275827 /nfs/dbraw/zinc/27/58/27/966275827.db2.gz GABSNMPZJCAMJT-GHMZBOCLSA-N 1 2 247.342 1.962 20 0 BDADLO CCNC(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919127265 966292967 /nfs/dbraw/zinc/29/29/67/966292967.db2.gz QFSRZBIHXHIUSP-UHFFFAOYSA-N 1 2 243.310 1.610 20 0 BDADLO Cc1nc(N2CCNC(=O)[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001166557435 966303475 /nfs/dbraw/zinc/30/34/75/966303475.db2.gz GJHOQIOBFUGXSV-VIFPVBQESA-N 1 2 248.330 1.233 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001124009566 966350492 /nfs/dbraw/zinc/35/04/92/966350492.db2.gz CNDLVXBPPJGRBD-GHMZBOCLSA-N 1 2 235.331 1.515 20 0 BDADLO CC(C)Oc1cc(N[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC001166665697 966354339 /nfs/dbraw/zinc/35/43/39/966354339.db2.gz KEPCEZARCIZRPR-LLVKDONJSA-N 1 2 249.314 1.511 20 0 BDADLO CCN(OC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001124034731 966361653 /nfs/dbraw/zinc/36/16/53/966361653.db2.gz ADIPKIQCYXERBD-VIFPVBQESA-N 1 2 211.265 1.244 20 0 BDADLO COCc1cc[nH+]c(N(C)CC2(C)COC2)c1 ZINC001166709087 966371747 /nfs/dbraw/zinc/37/17/47/966371747.db2.gz PMDOSXKKWOCEOG-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cc(C)c[nH+]c1N1C[C@@H]2C[C@H]1CO2 ZINC001166756944 966397034 /nfs/dbraw/zinc/39/70/34/966397034.db2.gz ULFWODKMDXLDBU-UWVGGRQHSA-N 1 2 220.272 1.376 20 0 BDADLO c1cc(C2CC2)[nH+]c(N2CC3(CCO3)C2)c1 ZINC001166942143 966436591 /nfs/dbraw/zinc/43/65/91/966436591.db2.gz COYYLVMCTNVZEQ-UHFFFAOYSA-N 1 2 216.284 1.938 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCC[C@@H](C(N)=O)C1 ZINC001166933551 966447010 /nfs/dbraw/zinc/44/70/10/966447010.db2.gz YOOFUBWSCSTETB-SECBINFHSA-N 1 2 237.278 1.231 20 0 BDADLO CCc1cc(N2CC3(CCO3)C2)nc(C)[nH+]1 ZINC001166941801 966461645 /nfs/dbraw/zinc/46/16/45/966461645.db2.gz LVPKFFJNBPHPQQ-UHFFFAOYSA-N 1 2 219.288 1.327 20 0 BDADLO COc1cc(C)c[nH+]c1N(C)CC1COC1 ZINC001166950335 966478807 /nfs/dbraw/zinc/47/88/07/966478807.db2.gz SEXYFNIVTZRRSB-UHFFFAOYSA-N 1 2 222.288 1.481 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2nccnc2Cl)C1 ZINC001236625427 966483361 /nfs/dbraw/zinc/48/33/61/966483361.db2.gz QSPFFKNPEGNCLG-MRVPVSSYSA-N 1 2 241.722 1.597 20 0 BDADLO CCc1nc(N2CCC(=O)C(F)(F)C2)cc[nH+]1 ZINC001166973004 966494269 /nfs/dbraw/zinc/49/42/69/966494269.db2.gz LYEDXBPLVVHPDZ-UHFFFAOYSA-N 1 2 241.241 1.454 20 0 BDADLO CCc1nc(N(C)C2(C)COC2)cc(C)[nH+]1 ZINC001166985972 966508484 /nfs/dbraw/zinc/50/84/84/966508484.db2.gz RHPMQNDBQLBDJL-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO COc1cc(C)c[nH+]c1N(C)CC(OC)OC ZINC001167030853 966526491 /nfs/dbraw/zinc/52/64/91/966526491.db2.gz BJWYYLCKVIJGLL-UHFFFAOYSA-N 1 2 240.303 1.454 20 0 BDADLO CCc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)on1 ZINC001203228460 966571326 /nfs/dbraw/zinc/57/13/26/966571326.db2.gz PSDLQABZOXCEEW-CYBMUJFWSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)on1 ZINC001203228460 966571330 /nfs/dbraw/zinc/57/13/30/966571330.db2.gz PSDLQABZOXCEEW-CYBMUJFWSA-N 1 2 236.315 1.848 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccco3)[C@H]2C1 ZINC001203273214 966592957 /nfs/dbraw/zinc/59/29/57/966592957.db2.gz WWGZOXBZCCKYEV-DRZSPHRISA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccco3)[C@H]2C1 ZINC001203273214 966592960 /nfs/dbraw/zinc/59/29/60/966592960.db2.gz WWGZOXBZCCKYEV-DRZSPHRISA-N 1 2 237.299 1.251 20 0 BDADLO CC[N@H+](Cc1ccccc1F)C1CN(C)C1 ZINC001203357806 966613030 /nfs/dbraw/zinc/61/30/30/966613030.db2.gz VVPDBQWLDAFJEY-UHFFFAOYSA-N 1 2 222.307 1.962 20 0 BDADLO CC[N@@H+](Cc1ccccc1F)C1CN(C)C1 ZINC001203357806 966613038 /nfs/dbraw/zinc/61/30/38/966613038.db2.gz VVPDBQWLDAFJEY-UHFFFAOYSA-N 1 2 222.307 1.962 20 0 BDADLO CNc1ccc(Nc2ccc(CO)nc2)c[nH+]1 ZINC001203451765 966658023 /nfs/dbraw/zinc/65/80/23/966658023.db2.gz BTCBUSINYQPKLH-UHFFFAOYSA-N 1 2 230.271 1.754 20 0 BDADLO NC(=O)c1cccc(C[N@@H+]2CCCC23COC3)c1 ZINC001237695876 966691576 /nfs/dbraw/zinc/69/15/76/966691576.db2.gz RJONGZJJSBVJMP-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO NC(=O)c1cccc(C[N@H+]2CCCC23COC3)c1 ZINC001237695876 966691585 /nfs/dbraw/zinc/69/15/85/966691585.db2.gz RJONGZJJSBVJMP-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC23COC3)cc1O ZINC001203869917 966802802 /nfs/dbraw/zinc/80/28/02/966802802.db2.gz NZVHTTRXLISRLJ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1ccc(C[N@H+]2CCCC23COC3)cc1O ZINC001203869917 966802806 /nfs/dbraw/zinc/80/28/06/966802806.db2.gz NZVHTTRXLISRLJ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO Cn1ncc2c1C[N@H+](Cc1cccc(O)c1)CC2 ZINC001203863765 966802941 /nfs/dbraw/zinc/80/29/41/966802941.db2.gz KWFUDSRNGXEGRL-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1ncc2c1C[N@@H+](Cc1cccc(O)c1)CC2 ZINC001203863765 966802942 /nfs/dbraw/zinc/80/29/42/966802942.db2.gz KWFUDSRNGXEGRL-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CC(C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805250 966804643 /nfs/dbraw/zinc/80/46/43/966804643.db2.gz MGRGBAYFMSTTQO-ZCFIWIBFSA-N 1 2 230.205 1.001 20 0 BDADLO CC(C)[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127805250 966804648 /nfs/dbraw/zinc/80/46/48/966804648.db2.gz MGRGBAYFMSTTQO-ZCFIWIBFSA-N 1 2 230.205 1.001 20 0 BDADLO CC(C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805149 966804962 /nfs/dbraw/zinc/80/49/62/966804962.db2.gz MGRGBAYFMSTTQO-LURJTMIESA-N 1 2 230.205 1.001 20 0 BDADLO CC(C)[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127805149 966804966 /nfs/dbraw/zinc/80/49/66/966804966.db2.gz MGRGBAYFMSTTQO-LURJTMIESA-N 1 2 230.205 1.001 20 0 BDADLO CC1(C)C[N@@H+](C2CN(Cc3ccc[nH]3)C2)CCO1 ZINC001204006824 966844349 /nfs/dbraw/zinc/84/43/49/966844349.db2.gz CGYTWOZRSSJDJO-UHFFFAOYSA-N 1 2 249.358 1.310 20 0 BDADLO CC1(C)C[N@H+](C2CN(Cc3ccc[nH]3)C2)CCO1 ZINC001204006824 966844351 /nfs/dbraw/zinc/84/43/51/966844351.db2.gz CGYTWOZRSSJDJO-UHFFFAOYSA-N 1 2 249.358 1.310 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1F ZINC001204069049 966878440 /nfs/dbraw/zinc/87/84/40/966878440.db2.gz LGWRZPKKRRWHER-QWRGUYRKSA-N 1 2 210.252 1.250 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1F ZINC001204069049 966878444 /nfs/dbraw/zinc/87/84/44/966878444.db2.gz LGWRZPKKRRWHER-QWRGUYRKSA-N 1 2 210.252 1.250 20 0 BDADLO CNc1ccc(N[C@@H](CO)C(C)(C)C)c[nH+]1 ZINC001168558260 966880066 /nfs/dbraw/zinc/88/00/66/966880066.db2.gz YZQQONNOFMUYMF-JTQLQIEISA-N 1 2 223.320 1.942 20 0 BDADLO O=C1CC[N@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001204091202 966891593 /nfs/dbraw/zinc/89/15/93/966891593.db2.gz RPXVZMJQHARTRD-LBPRGKRZSA-N 1 2 237.274 1.895 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001204091202 966891600 /nfs/dbraw/zinc/89/16/00/966891600.db2.gz RPXVZMJQHARTRD-LBPRGKRZSA-N 1 2 237.274 1.895 20 0 BDADLO Cc1ccc(C[NH+]2CCN(C#N)CC2)cc1 ZINC001204173835 966913934 /nfs/dbraw/zinc/91/39/34/966913934.db2.gz JOAVQLMVLWWTLZ-UHFFFAOYSA-N 1 2 215.300 1.594 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(C2=CCOC2)cc1 ZINC001239489728 966914584 /nfs/dbraw/zinc/91/45/84/966914584.db2.gz JJUMNCBEWXUOBV-LBPRGKRZSA-N 1 2 233.267 1.273 20 0 BDADLO COc1cccc(OC)c1C[NH+]1CC2(COC2)C1 ZINC001204247693 966945960 /nfs/dbraw/zinc/94/59/60/966945960.db2.gz PIFJFQLORRXKFX-UHFFFAOYSA-N 1 2 249.310 1.536 20 0 BDADLO COC(=O)[C@H](C(C)C)N(C)Cc1c[nH+]cn1C ZINC001204385027 966983713 /nfs/dbraw/zinc/98/37/13/966983713.db2.gz AEKBMOSSCBPPNF-NSHDSACASA-N 1 2 239.319 1.050 20 0 BDADLO Cc1csc(C[N@H+]2CCc3nncn3CC2)n1 ZINC001204374597 966985656 /nfs/dbraw/zinc/98/56/56/966985656.db2.gz MWMOVIGPPWACEF-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO Cc1csc(C[N@@H+]2CCc3nncn3CC2)n1 ZINC001204374597 966985658 /nfs/dbraw/zinc/98/56/58/966985658.db2.gz MWMOVIGPPWACEF-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO Nc1cn(-c2ccc[nH+]c2N)nc1Cl ZINC001212395174 967025188 /nfs/dbraw/zinc/02/51/88/967025188.db2.gz IVBSOURWFVBMHD-UHFFFAOYSA-N 1 2 209.640 1.085 20 0 BDADLO Cc1ccc(NC2CCN(C(N)=O)CC2)c(C)[nH+]1 ZINC000094664396 967036735 /nfs/dbraw/zinc/03/67/35/967036735.db2.gz MVFSDKCTFVWQGM-UHFFFAOYSA-N 1 2 248.330 1.653 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001204587545 967074870 /nfs/dbraw/zinc/07/48/70/967074870.db2.gz FICFJEUDGFSBFL-MNOVXSKESA-N 1 2 229.274 1.990 20 0 BDADLO CCOC(=O)[C@@H](C)c1ccc(NC)[nH+]c1 ZINC001249856411 967098100 /nfs/dbraw/zinc/09/81/00/967098100.db2.gz WNPSPGSSBXHILW-QMMMGPOBSA-N 1 2 208.261 1.790 20 0 BDADLO COCC1C[NH+](Cc2c(F)ccc(N)c2F)C1 ZINC001204749019 967145414 /nfs/dbraw/zinc/14/54/14/967145414.db2.gz WHYCDFZARWKADG-UHFFFAOYSA-N 1 2 242.269 1.625 20 0 BDADLO CCOC(=O)CCCc1ccc(N)[nH+]c1 ZINC001249974186 967219352 /nfs/dbraw/zinc/21/93/52/967219352.db2.gz KMXLLLHIQWWGIL-UHFFFAOYSA-N 1 2 208.261 1.550 20 0 BDADLO OC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000721924881 967240763 /nfs/dbraw/zinc/24/07/63/967240763.db2.gz YPYJDUVIIDEFIE-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO O=c1cc(Nc2ccn3cc[nH+]c3c2)cn[nH]1 ZINC001204966165 967265159 /nfs/dbraw/zinc/26/51/59/967265159.db2.gz PCIBRCDQBKCVIU-UHFFFAOYSA-N 1 2 227.227 1.574 20 0 BDADLO Cn1ncc(N)c1Nc1ccn2cc[nH+]c2c1 ZINC001204965600 967266225 /nfs/dbraw/zinc/26/62/25/967266225.db2.gz DPDCTHYXFSTHRX-UHFFFAOYSA-N 1 2 228.259 1.394 20 0 BDADLO OCc1cccc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204966437 967268083 /nfs/dbraw/zinc/26/80/83/967268083.db2.gz SAXWWSLZCGUXEX-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO O=c1cc[nH]cc1Nc1ccn2cc[nH+]c2c1 ZINC001204972047 967269094 /nfs/dbraw/zinc/26/90/94/967269094.db2.gz VIIDUNXCIFRJMC-UHFFFAOYSA-N 1 2 226.239 1.766 20 0 BDADLO Cc1nc2c(s1)C[N@H+](Cc1cnn(C)c1)CC2 ZINC001205008714 967288288 /nfs/dbraw/zinc/28/82/88/967288288.db2.gz MZWGBRGIQQDYQU-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1nc2c(s1)C[N@@H+](Cc1cnn(C)c1)CC2 ZINC001205008714 967288297 /nfs/dbraw/zinc/28/82/97/967288297.db2.gz MZWGBRGIQQDYQU-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cc(C)c(CC(=O)N2CCOCC2)c[nH+]1 ZINC001250282019 967619864 /nfs/dbraw/zinc/61/98/64/967619864.db2.gz BCMITOZFAXFSBK-UHFFFAOYSA-N 1 2 234.299 1.100 20 0 BDADLO O=C(Cc1ccc2[nH+]ccn2c1)N1CCCC1 ZINC001250290316 967626371 /nfs/dbraw/zinc/62/63/71/967626371.db2.gz FOENQWORYVLQHQ-UHFFFAOYSA-N 1 2 229.283 1.499 20 0 BDADLO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001143149867 967637521 /nfs/dbraw/zinc/63/75/21/967637521.db2.gz JRJZNARCZIWNIV-QWHCGFSZSA-N 1 2 239.290 1.518 20 0 BDADLO COc1cc(C)cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001143149867 967637543 /nfs/dbraw/zinc/63/75/43/967637543.db2.gz JRJZNARCZIWNIV-QWHCGFSZSA-N 1 2 239.290 1.518 20 0 BDADLO O=C1C[N@H+](CCCCCO)CCC[C@H]1F ZINC001205537910 967669085 /nfs/dbraw/zinc/66/90/85/967669085.db2.gz KODHNVMNCRXXGP-SNVBAGLBSA-N 1 2 217.284 1.152 20 0 BDADLO O=C1C[N@@H+](CCCCCO)CCC[C@H]1F ZINC001205537910 967669104 /nfs/dbraw/zinc/66/91/04/967669104.db2.gz KODHNVMNCRXXGP-SNVBAGLBSA-N 1 2 217.284 1.152 20 0 BDADLO CCn1cc(C[N@@H+]2CCCCC23COC3)cn1 ZINC001205538475 967678274 /nfs/dbraw/zinc/67/82/74/967678274.db2.gz MEGPCAAHLUBKPX-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cc(C[N@H+]2CCCCC23COC3)cn1 ZINC001205538475 967678300 /nfs/dbraw/zinc/67/83/00/967678300.db2.gz MEGPCAAHLUBKPX-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1ccc(CO)cc1CCn1cc[nH+]c1 ZINC001250318623 967684663 /nfs/dbraw/zinc/68/46/63/967684663.db2.gz HBCZNRYGIPWWQI-UHFFFAOYSA-N 1 2 216.284 1.927 20 0 BDADLO Oc1c(F)cccc1CCn1cc[nH+]c1 ZINC001250319474 967693825 /nfs/dbraw/zinc/69/38/25/967693825.db2.gz RSLBNHCNXBDOFK-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO C[C@@H](O)COC1C[NH+](Cc2ccccc2)C1 ZINC001205767287 967815690 /nfs/dbraw/zinc/81/56/90/967815690.db2.gz FHGRDVYEYJBTSF-LLVKDONJSA-N 1 2 221.300 1.268 20 0 BDADLO COc1cc(Nc2ccn(C)c(=O)c2)cc(C)[nH+]1 ZINC001206085534 968053942 /nfs/dbraw/zinc/05/39/42/968053942.db2.gz UAKXKQBKJOESRK-UHFFFAOYSA-N 1 2 245.282 1.841 20 0 BDADLO Cc1[nH]c(CN2CC[C@](N)(C(F)(F)F)C2)c[nH+]1 ZINC001206244992 968164489 /nfs/dbraw/zinc/16/44/89/968164489.db2.gz OWOPTNPIRPDSAF-SECBINFHSA-N 1 2 248.252 1.184 20 0 BDADLO Cc1[nH]cc(CN2CC[C@](N)(C(F)(F)F)C2)[nH+]1 ZINC001206244992 968164492 /nfs/dbraw/zinc/16/44/92/968164492.db2.gz OWOPTNPIRPDSAF-SECBINFHSA-N 1 2 248.252 1.184 20 0 BDADLO COc1ncc(C[N@@H+]2CCCC[C@@H](F)C2)cn1 ZINC001206380943 968265249 /nfs/dbraw/zinc/26/52/49/968265249.db2.gz GPKZQKOPNOHHRA-LLVKDONJSA-N 1 2 239.294 1.809 20 0 BDADLO COc1ncc(C[N@H+]2CCCC[C@@H](F)C2)cn1 ZINC001206380943 968265253 /nfs/dbraw/zinc/26/52/53/968265253.db2.gz GPKZQKOPNOHHRA-LLVKDONJSA-N 1 2 239.294 1.809 20 0 BDADLO CC[C@@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001251798198 968335154 /nfs/dbraw/zinc/33/51/54/968335154.db2.gz NBIINRPEVDECNV-MRVPVSSYSA-N 1 2 213.281 1.054 20 0 BDADLO CN1CC[C@H](Nc2ccc(C3CC3)c[nH+]2)C1=O ZINC001166685839 968374752 /nfs/dbraw/zinc/37/47/52/968374752.db2.gz JKLDQWJRJVEHEW-NSHDSACASA-N 1 2 231.299 1.602 20 0 BDADLO C[C@H](O)CNc1ccc[nH+]c1N1CCCCC1 ZINC001251954813 968394349 /nfs/dbraw/zinc/39/43/49/968394349.db2.gz MOGOXYWCMWXLNH-NSHDSACASA-N 1 2 235.331 1.865 20 0 BDADLO CCOC[C@H](O)CNc1c[nH+]ccc1OCC ZINC001252016710 968438461 /nfs/dbraw/zinc/43/84/61/968438461.db2.gz GCZSWRBONGCRFZ-SNVBAGLBSA-N 1 2 240.303 1.290 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1cc(CO)on1 ZINC001119622734 968440665 /nfs/dbraw/zinc/44/06/65/968440665.db2.gz UJMDYLAXUBNOPG-UWVGGRQHSA-N 1 2 247.298 1.974 20 0 BDADLO Cc1cc(NC[C@H](O)CO)c2ccsc2[nH+]1 ZINC001252055577 968467670 /nfs/dbraw/zinc/46/76/70/968467670.db2.gz QSSYGUQGAXOMIM-QMMMGPOBSA-N 1 2 238.312 1.370 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001206783002 968469512 /nfs/dbraw/zinc/46/95/12/968469512.db2.gz KXJCKDKRXMQRSG-KBPBESRZSA-N 1 2 246.354 1.892 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001206783002 968469514 /nfs/dbraw/zinc/46/95/14/968469514.db2.gz KXJCKDKRXMQRSG-KBPBESRZSA-N 1 2 246.354 1.892 20 0 BDADLO C=CC(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000820436561 968472069 /nfs/dbraw/zinc/47/20/69/968472069.db2.gz CBNXHJAIYURNDU-UHFFFAOYSA-N 1 2 205.261 1.028 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)no1 ZINC001206819330 968489739 /nfs/dbraw/zinc/48/97/39/968489739.db2.gz FHFHDDXYPKDCSY-GFCCVEGCSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]3(CCO3)C2)no1 ZINC001206819330 968489746 /nfs/dbraw/zinc/48/97/46/968489746.db2.gz FHFHDDXYPKDCSY-GFCCVEGCSA-N 1 2 222.288 1.738 20 0 BDADLO CCCC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC001252075909 968490387 /nfs/dbraw/zinc/49/03/87/968490387.db2.gz DTBFWNJGLICWTJ-LBPRGKRZSA-N 1 2 220.316 1.948 20 0 BDADLO CCCC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC001252075909 968490383 /nfs/dbraw/zinc/49/03/83/968490383.db2.gz DTBFWNJGLICWTJ-LBPRGKRZSA-N 1 2 220.316 1.948 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001206855879 968503946 /nfs/dbraw/zinc/50/39/46/968503946.db2.gz OFWLUOOJSYGMTJ-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001206855879 968503950 /nfs/dbraw/zinc/50/39/50/968503950.db2.gz OFWLUOOJSYGMTJ-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO Cc1ccnc(-c2noc([C@]3([NH3+])CCOC3)n2)c1 ZINC000085852555 968506853 /nfs/dbraw/zinc/50/68/53/968506853.db2.gz RRABMBBXKZAZHP-LBPRGKRZSA-N 1 2 246.270 1.014 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc(C3CC3)nn2)C1 ZINC001231028791 968511775 /nfs/dbraw/zinc/51/17/75/968511775.db2.gz VPTSANODAUXHPE-LLVKDONJSA-N 1 2 249.314 1.063 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc(C3CC3)nn2)C1 ZINC001231028791 968511779 /nfs/dbraw/zinc/51/17/79/968511779.db2.gz VPTSANODAUXHPE-LLVKDONJSA-N 1 2 249.314 1.063 20 0 BDADLO CCCOC1CC[NH+](Cc2ncccn2)CC1 ZINC001207014158 968549417 /nfs/dbraw/zinc/54/94/17/968549417.db2.gz XTMLSIXJBSEUAN-UHFFFAOYSA-N 1 2 235.331 1.868 20 0 BDADLO COC(=O)CC[N@H+](Cc1ncccn1)C1CC1 ZINC001207017798 968554105 /nfs/dbraw/zinc/55/41/05/968554105.db2.gz STVAALDKZXBEJO-UHFFFAOYSA-N 1 2 235.287 1.004 20 0 BDADLO COC(=O)CC[N@@H+](Cc1ncccn1)C1CC1 ZINC001207017798 968554108 /nfs/dbraw/zinc/55/41/08/968554108.db2.gz STVAALDKZXBEJO-UHFFFAOYSA-N 1 2 235.287 1.004 20 0 BDADLO Fc1cccnc1C[NH+]1CCSCC1 ZINC001207030201 968561255 /nfs/dbraw/zinc/56/12/55/968561255.db2.gz YCOQNGLPUUQZCZ-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO Fc1cccnc1C[N@@H+]1CCCOCC1 ZINC001207026440 968561727 /nfs/dbraw/zinc/56/17/27/968561727.db2.gz JRBPVMPEDXJUND-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO Fc1cccnc1C[N@H+]1CCCOCC1 ZINC001207026440 968561732 /nfs/dbraw/zinc/56/17/32/968561732.db2.gz JRBPVMPEDXJUND-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001252119243 968601384 /nfs/dbraw/zinc/60/13/84/968601384.db2.gz VUJPGPZXGHBRML-WDEREUQCSA-N 1 2 231.336 1.469 20 0 BDADLO O=c1cccc(C[N@@H+]2CCOCC23CCC3)[nH]1 ZINC001207073205 968606455 /nfs/dbraw/zinc/60/64/55/968606455.db2.gz GUGBLQJHPXTFTR-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO O=c1cccc(C[N@H+]2CCOCC23CCC3)[nH]1 ZINC001207073205 968606463 /nfs/dbraw/zinc/60/64/63/968606463.db2.gz GUGBLQJHPXTFTR-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ncc(F)cc1F ZINC001207097484 968631540 /nfs/dbraw/zinc/63/15/40/968631540.db2.gz RFROBLPHCXPNPI-WPRPVWTQSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ncc(F)cc1F ZINC001207097484 968631546 /nfs/dbraw/zinc/63/15/46/968631546.db2.gz RFROBLPHCXPNPI-WPRPVWTQSA-N 1 2 242.269 1.705 20 0 BDADLO CC(C)c1nc(C[NH2+]CC(C)(C)O)no1 ZINC001252363880 968642400 /nfs/dbraw/zinc/64/24/00/968642400.db2.gz VHKAUJKYOVQGLQ-UHFFFAOYSA-N 1 2 213.281 1.054 20 0 BDADLO CCn1ccnc1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001207141137 968651817 /nfs/dbraw/zinc/65/18/17/968651817.db2.gz FPOJUBJHVCOLDP-PHIMTYICSA-N 1 2 233.315 1.599 20 0 BDADLO CCn1ccnc1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001207141137 968651820 /nfs/dbraw/zinc/65/18/20/968651820.db2.gz FPOJUBJHVCOLDP-PHIMTYICSA-N 1 2 233.315 1.599 20 0 BDADLO CCn1ccnc1C[NH+]1CC2(CCC2)C1 ZINC001207141488 968653297 /nfs/dbraw/zinc/65/32/97/968653297.db2.gz KXWTXAQNRVESTH-UHFFFAOYSA-N 1 2 205.305 1.889 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(C)n1 ZINC001207168518 968674273 /nfs/dbraw/zinc/67/42/73/968674273.db2.gz JOUMYWJAYOESKU-ZDUSSCGKSA-N 1 2 233.315 1.729 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC001207168518 968674280 /nfs/dbraw/zinc/67/42/80/968674280.db2.gz JOUMYWJAYOESKU-ZDUSSCGKSA-N 1 2 233.315 1.729 20 0 BDADLO CC1(C)C[C@H](C[N@@H+]2CCC(=O)C2)CCO1 ZINC001207359323 968737987 /nfs/dbraw/zinc/73/79/87/968737987.db2.gz IQQRVUPOCWZMPM-SNVBAGLBSA-N 1 2 211.305 1.466 20 0 BDADLO COc1ccccc1CC[NH+]1CC2(CCO2)C1 ZINC001207458548 968779897 /nfs/dbraw/zinc/77/98/97/968779897.db2.gz CWSDDYJDUBTFFF-UHFFFAOYSA-N 1 2 233.311 1.712 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001207462078 968782566 /nfs/dbraw/zinc/78/25/66/968782566.db2.gz YQHGQFFLFPKRKT-OCCSQVGLSA-N 1 2 233.311 1.711 20 0 BDADLO COc1ccccc1CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC001207462078 968782573 /nfs/dbraw/zinc/78/25/73/968782573.db2.gz YQHGQFFLFPKRKT-OCCSQVGLSA-N 1 2 233.311 1.711 20 0 BDADLO OC[C@H]1C[N@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC001207461188 968783413 /nfs/dbraw/zinc/78/34/13/968783413.db2.gz KWYPECCRDCIURR-GHMZBOCLSA-N 1 2 249.301 1.363 20 0 BDADLO OC[C@H]1C[N@@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC001207461188 968783422 /nfs/dbraw/zinc/78/34/22/968783422.db2.gz KWYPECCRDCIURR-GHMZBOCLSA-N 1 2 249.301 1.363 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085827857 968855923 /nfs/dbraw/zinc/85/59/23/968855923.db2.gz DHTQACZWYGALPA-IJLUTSLNSA-N 1 2 242.338 1.535 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085827857 968855928 /nfs/dbraw/zinc/85/59/28/968855928.db2.gz DHTQACZWYGALPA-IJLUTSLNSA-N 1 2 242.338 1.535 20 0 BDADLO CC1(C[N@@H+]2CC(F)(F)C[C@]2(C)CO)COC1 ZINC001207790641 968884604 /nfs/dbraw/zinc/88/46/04/968884604.db2.gz GTALQIMTVBTMTA-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO CC1(C[N@H+]2CC(F)(F)C[C@]2(C)CO)COC1 ZINC001207790641 968884605 /nfs/dbraw/zinc/88/46/05/968884605.db2.gz GTALQIMTVBTMTA-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCCO1 ZINC001207846385 968899753 /nfs/dbraw/zinc/89/97/53/968899753.db2.gz CXLARZWHHZHPGT-GUBZILKMSA-N 1 2 205.248 1.547 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCCO1 ZINC001207846385 968899756 /nfs/dbraw/zinc/89/97/56/968899756.db2.gz CXLARZWHHZHPGT-GUBZILKMSA-N 1 2 205.248 1.547 20 0 BDADLO c1cncc(OC2C[NH+](C[C@@H]3CCCO3)C2)c1 ZINC001207860924 968907694 /nfs/dbraw/zinc/90/76/94/968907694.db2.gz ITARUIOCLXZCIJ-LBPRGKRZSA-N 1 2 234.299 1.324 20 0 BDADLO Nc1cc(-c2cc3c(c(F)c2)C(=O)NC3)cc[nH+]1 ZINC001241170305 968943569 /nfs/dbraw/zinc/94/35/69/968943569.db2.gz HEOZGSVSCPLLCC-UHFFFAOYSA-N 1 2 243.241 1.713 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CCNC(=O)[C@@H]2C)o1 ZINC001207948110 968945945 /nfs/dbraw/zinc/94/59/45/968945945.db2.gz NQPCLHUWEAYFNT-NSHDSACASA-N 1 2 236.315 1.341 20 0 BDADLO Cc1ccc(CCC[N@H+]2CCNC(=O)[C@@H]2C)o1 ZINC001207948110 968945949 /nfs/dbraw/zinc/94/59/49/968945949.db2.gz NQPCLHUWEAYFNT-NSHDSACASA-N 1 2 236.315 1.341 20 0 BDADLO COCOc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241176060 968946696 /nfs/dbraw/zinc/94/66/96/968946696.db2.gz SPMMLXRCPUTOCK-UHFFFAOYSA-N 1 2 231.255 1.709 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCn2c(C)ncc2C1 ZINC001252779721 968953490 /nfs/dbraw/zinc/95/34/90/968953490.db2.gz KAAYLOFAWLOBGH-GFCCVEGCSA-N 1 2 223.320 1.168 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCn2c(C)ncc2C1 ZINC001252779721 968953495 /nfs/dbraw/zinc/95/34/95/968953495.db2.gz KAAYLOFAWLOBGH-GFCCVEGCSA-N 1 2 223.320 1.168 20 0 BDADLO COC[C@@H](O)CNc1c[nH+]c(C)cc1C ZINC001252811853 969001552 /nfs/dbraw/zinc/00/15/52/969001552.db2.gz VYDMRQGZOHMMNF-JTQLQIEISA-N 1 2 210.277 1.118 20 0 BDADLO C[N@H+](C[C@H](O)c1ccc(F)cc1)C1COC1 ZINC001252846622 969032586 /nfs/dbraw/zinc/03/25/86/969032586.db2.gz QPHTYUFLQVHFKP-LBPRGKRZSA-N 1 2 225.263 1.190 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)nn1C ZINC000089184980 969135596 /nfs/dbraw/zinc/13/55/96/969135596.db2.gz ZHLFDRSJKQXNKN-ZDUSSCGKSA-N 1 2 235.331 1.672 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)nn1C ZINC000089184980 969135600 /nfs/dbraw/zinc/13/56/00/969135600.db2.gz ZHLFDRSJKQXNKN-ZDUSSCGKSA-N 1 2 235.331 1.672 20 0 BDADLO C[NH+]1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC000379198870 969144299 /nfs/dbraw/zinc/14/42/99/969144299.db2.gz GYWIFPVJYGMATO-UHFFFAOYSA-N 1 2 229.283 1.212 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000383560965 969182651 /nfs/dbraw/zinc/18/26/51/969182651.db2.gz DXBAFCDUDJPHJH-QMMMGPOBSA-N 1 2 234.303 1.876 20 0 BDADLO c1c(CCNc2cncnc2)[nH+]c2ccccn12 ZINC001169005554 969329444 /nfs/dbraw/zinc/32/94/44/969329444.db2.gz SVQBXFMESCPFJN-UHFFFAOYSA-N 1 2 239.282 1.779 20 0 BDADLO CCOC(C)(C)C[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209066799 969343435 /nfs/dbraw/zinc/34/34/35/969343435.db2.gz NKCUFZHBNDMKKF-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO CCOC(C)(C)C[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209066799 969343439 /nfs/dbraw/zinc/34/34/39/969343439.db2.gz NKCUFZHBNDMKKF-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO c1cc(N2CCCC2)[nH+]cc1NCC1OCCO1 ZINC001169067894 969380707 /nfs/dbraw/zinc/38/07/07/969380707.db2.gz YZRQICQGXHQLJX-UHFFFAOYSA-N 1 2 249.314 1.467 20 0 BDADLO CC1(C)OCC(C[NH+]2CC(F)(C3CC3)C2)CO1 ZINC001209193708 969385660 /nfs/dbraw/zinc/38/56/60/969385660.db2.gz WGJQSYLZWQOZAZ-UHFFFAOYSA-N 1 2 243.322 1.819 20 0 BDADLO CCCn1c[nH+]cc1CN(CC)CC(=O)OC ZINC000090236484 969427039 /nfs/dbraw/zinc/42/70/39/969427039.db2.gz CVBVZMHAPBGPKK-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO COC1CCC(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001209400088 969468018 /nfs/dbraw/zinc/46/80/18/969468018.db2.gz FVVCTHWDLZCQAN-QQFIATSDSA-N 1 2 239.315 1.191 20 0 BDADLO COC1CCC(C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001209400088 969468025 /nfs/dbraw/zinc/46/80/25/969468025.db2.gz FVVCTHWDLZCQAN-QQFIATSDSA-N 1 2 239.315 1.191 20 0 BDADLO CC[NH+]1CCC([NH2+]C2(c3cnn(C)c3)CC2)CC1 ZINC001169225370 969494097 /nfs/dbraw/zinc/49/40/97/969494097.db2.gz ULBNDQGIUYNEBQ-UHFFFAOYSA-N 1 2 248.374 1.483 20 0 BDADLO Cn1nc2ccccc2c1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001209541473 969532805 /nfs/dbraw/zinc/53/28/05/969532805.db2.gz AAEJZZUXRYTVAW-PHIMTYICSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1nc2ccccc2c1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001209541473 969532807 /nfs/dbraw/zinc/53/28/07/969532807.db2.gz AAEJZZUXRYTVAW-PHIMTYICSA-N 1 2 243.310 1.546 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCc2cccnc2C1 ZINC001209557247 969543473 /nfs/dbraw/zinc/54/34/73/969543473.db2.gz PLDVGBJQNZPRIR-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCc2cccnc2C1 ZINC001209557247 969543478 /nfs/dbraw/zinc/54/34/78/969543478.db2.gz PLDVGBJQNZPRIR-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2ccon2)CC12CC2 ZINC001209566189 969547815 /nfs/dbraw/zinc/54/78/15/969547815.db2.gz HXFBJCJJJFPNHC-JTQLQIEISA-N 1 2 236.271 1.060 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccon2)CC12CC2 ZINC001209566189 969547823 /nfs/dbraw/zinc/54/78/23/969547823.db2.gz HXFBJCJJJFPNHC-JTQLQIEISA-N 1 2 236.271 1.060 20 0 BDADLO Cc1ccc(C[NH+]2CCN(CCF)CC2)[nH]1 ZINC001209573839 969558154 /nfs/dbraw/zinc/55/81/54/969558154.db2.gz BLYRJYGPDLQXHF-UHFFFAOYSA-N 1 2 225.311 1.410 20 0 BDADLO c1ccc(OC2C[NH+]([C@H]3CCCOC3)C2)cc1 ZINC001254384951 969603092 /nfs/dbraw/zinc/60/30/92/969603092.db2.gz VWFHGCIJQGOWBJ-LBPRGKRZSA-N 1 2 233.311 1.929 20 0 BDADLO Cn1cc(C[NH+]2CCC(=O)CC2)c2cccnc21 ZINC001209744635 969606036 /nfs/dbraw/zinc/60/60/36/969606036.db2.gz RDCNHHXTOZRKQO-UHFFFAOYSA-N 1 2 243.310 1.738 20 0 BDADLO CN(C)c1ccccc1C[NH+]1CC2(CCO2)C1 ZINC001209778614 969608927 /nfs/dbraw/zinc/60/89/27/969608927.db2.gz HHUYFXDQFVTQQZ-UHFFFAOYSA-N 1 2 232.327 1.727 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3cnccn3)C2)C1 ZINC001209783020 969615625 /nfs/dbraw/zinc/61/56/25/969615625.db2.gz MNRYRPFSYDBYOP-UHFFFAOYSA-N 1 2 225.242 1.708 20 0 BDADLO C[N@H+](Cc1cnccn1)C1CC(F)(F)C1 ZINC001209782959 969616769 /nfs/dbraw/zinc/61/67/69/969616769.db2.gz LFWJMKWQOAGQSA-UHFFFAOYSA-N 1 2 213.231 1.706 20 0 BDADLO C[N@@H+](Cc1cnccn1)C1CC(F)(F)C1 ZINC001209782959 969616783 /nfs/dbraw/zinc/61/67/83/969616783.db2.gz LFWJMKWQOAGQSA-UHFFFAOYSA-N 1 2 213.231 1.706 20 0 BDADLO CCCCOC1C[NH+]([C@@H]2CCN(C(C)=O)C2)C1 ZINC001169552520 969747154 /nfs/dbraw/zinc/74/71/54/969747154.db2.gz PXWQIHCBXJILPC-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCOC(=O)C1(CNc2c[nH+]cc(N)c2)CCC1 ZINC001169555415 969751126 /nfs/dbraw/zinc/75/11/26/969751126.db2.gz AIDQSKJRGXOHML-UHFFFAOYSA-N 1 2 249.314 1.809 20 0 BDADLO COc1cccc(COC2C[NH+](C)C2)c1 ZINC001210030218 969765016 /nfs/dbraw/zinc/76/50/16/969765016.db2.gz CZTMUQMTWFLXOS-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO Cc1cc(F)ncc1NC[C@H]1COCC[N@H+]1C ZINC001169652715 969800560 /nfs/dbraw/zinc/80/05/60/969800560.db2.gz BQNCCHJVDCDCBU-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(F)ncc1NC[C@H]1COCC[N@@H+]1C ZINC001169652715 969800561 /nfs/dbraw/zinc/80/05/61/969800561.db2.gz BQNCCHJVDCDCBU-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C2CC2)cn1 ZINC001169657477 969803093 /nfs/dbraw/zinc/80/30/93/969803093.db2.gz RXPVVYXPWSLVKA-CYBMUJFWSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccc(C2CC2)cn1 ZINC001169657477 969803097 /nfs/dbraw/zinc/80/30/97/969803097.db2.gz RXPVVYXPWSLVKA-CYBMUJFWSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@H]1CC[C@@H](OCC[NH+]2CCOCC2)CC1 ZINC001210224988 969835010 /nfs/dbraw/zinc/83/50/10/969835010.db2.gz MZCGTDPCYRMRHI-BETUJISGSA-N 1 2 227.348 1.914 20 0 BDADLO Cc1nsc(Nc2c[nH+]c(C)c(N)c2)n1 ZINC001210286340 969853381 /nfs/dbraw/zinc/85/33/81/969853381.db2.gz ZZWAPLYWPOREJI-UHFFFAOYSA-N 1 2 221.289 1.876 20 0 BDADLO COc1nc(C)ncc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287693 969857669 /nfs/dbraw/zinc/85/76/69/969857669.db2.gz ZZXWSPLKONOKEI-UHFFFAOYSA-N 1 2 245.286 1.823 20 0 BDADLO CCCOC(=O)C[NH2+]C1CCSCC1 ZINC001255087210 969921421 /nfs/dbraw/zinc/92/14/21/969921421.db2.gz FZAFCBHEUOMQJR-UHFFFAOYSA-N 1 2 217.334 1.425 20 0 BDADLO CCc1nnc(CN(C)c2cccc[nH+]2)o1 ZINC001255079940 969872689 /nfs/dbraw/zinc/87/26/89/969872689.db2.gz VQNHPEARFVEEIN-UHFFFAOYSA-N 1 2 218.260 1.663 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cncnc2)[nH+]1 ZINC001156570729 969923305 /nfs/dbraw/zinc/92/33/05/969923305.db2.gz WKYKBNXRZHYEOM-UHFFFAOYSA-N 1 2 240.270 1.668 20 0 BDADLO CCC1=NNC(=c2ccnc3c2=CC=[NH+]3)O1 ZINC001255095878 969932199 /nfs/dbraw/zinc/93/21/99/969932199.db2.gz ATGBARCPDVXJRT-MRVPVSSYSA-N 1 2 214.228 1.652 20 0 BDADLO Cc1cnc(C)nc1NCc1cc[nH+]c(N)c1 ZINC001156755983 969993183 /nfs/dbraw/zinc/99/31/83/969993183.db2.gz MODISZLWHJAFLC-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO FC1(F)C[NH2+]CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001210815237 970048230 /nfs/dbraw/zinc/04/82/30/970048230.db2.gz QIFDAUZXCWXNHF-QJPTWQEYSA-N 1 2 242.313 1.739 20 0 BDADLO CCc1ccc(CN2CC[NH2+]CC(F)(F)C2)o1 ZINC001210815624 970050297 /nfs/dbraw/zinc/05/02/97/970050297.db2.gz XUCRZIOAEUAGHK-UHFFFAOYSA-N 1 2 244.285 1.883 20 0 BDADLO CN1CCC[C@H]([NH2+][C@H]2NC(=O)c3ccccc32)C1 ZINC001255472559 970202691 /nfs/dbraw/zinc/20/26/91/970202691.db2.gz BQANPRSIUOIPIB-GWCFXTLKSA-N 1 2 245.326 1.112 20 0 BDADLO Cc1c2nc[nH]c2ncc1-c1c[nH+]cn1C ZINC001243067756 970256003 /nfs/dbraw/zinc/25/60/03/970256003.db2.gz PCVBURKCCXQCHB-UHFFFAOYSA-N 1 2 213.244 1.667 20 0 BDADLO CCN(c1ncc(N)cc1Cl)C1C[NH+](C)C1 ZINC001157455829 970322982 /nfs/dbraw/zinc/32/29/82/970322982.db2.gz DFJNNSGMQNCTOH-UHFFFAOYSA-N 1 2 240.738 1.458 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1nc(C)ncc1F ZINC001157460225 970328983 /nfs/dbraw/zinc/32/89/83/970328983.db2.gz UDHQUGZXONVHMY-UHFFFAOYSA-N 1 2 249.293 1.647 20 0 BDADLO Cc1c[nH+]cc(Nc2c(C(N)=O)cnn2C)c1C ZINC001213522870 970344864 /nfs/dbraw/zinc/34/48/64/970344864.db2.gz IHWCUSYPTOSHDN-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO C[C@@H]1CC[C@H]([NH+]2CC(O)(C(F)(F)F)C2)C1 ZINC001170133822 970402234 /nfs/dbraw/zinc/40/22/34/970402234.db2.gz VDTPWPVJCKSDMP-SFYZADRCSA-N 1 2 223.238 1.784 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@@H+]1[C@@H]1CC[C@H](C)C1 ZINC001170161154 970501656 /nfs/dbraw/zinc/50/16/56/970501656.db2.gz LPJGMXOOHZTMFP-LOWVWBTDSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@H+]1[C@@H]1CC[C@H](C)C1 ZINC001170161154 970501666 /nfs/dbraw/zinc/50/16/66/970501666.db2.gz LPJGMXOOHZTMFP-LOWVWBTDSA-N 1 2 241.331 1.439 20 0 BDADLO CCCCCc1nnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC001256113609 970661748 /nfs/dbraw/zinc/66/17/48/970661748.db2.gz ZHRWXDWFMWACCU-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCCCc1nnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC001256113609 970661754 /nfs/dbraw/zinc/66/17/54/970661754.db2.gz ZHRWXDWFMWACCU-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)[nH]n1 ZINC001256332473 970737622 /nfs/dbraw/zinc/73/76/22/970737622.db2.gz PXMSYBDWVKURMH-GWCFXTLKSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)[nH]n1 ZINC001256332473 970737635 /nfs/dbraw/zinc/73/76/35/970737635.db2.gz PXMSYBDWVKURMH-GWCFXTLKSA-N 1 2 235.331 1.717 20 0 BDADLO CCCC(C)(C)C(=O)N(CC)C1C[NH+](C)C1 ZINC001144115452 972583339 /nfs/dbraw/zinc/58/33/39/972583339.db2.gz KSJXFEPRVMWKCD-UHFFFAOYSA-N 1 2 226.364 1.975 20 0 BDADLO C[C@@H](OCc1c[nH+]cn1C)C(F)(F)F ZINC001222594986 972594359 /nfs/dbraw/zinc/59/43/59/972594359.db2.gz KXMDKTCMBPYSNT-ZCFIWIBFSA-N 1 2 208.183 1.888 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001144117923 972588947 /nfs/dbraw/zinc/58/89/47/972588947.db2.gz MCOPZWMWABMWRI-LLVKDONJSA-N 1 2 248.326 1.363 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001144117923 972588950 /nfs/dbraw/zinc/58/89/50/972588950.db2.gz MCOPZWMWABMWRI-LLVKDONJSA-N 1 2 248.326 1.363 20 0 BDADLO CC1=C(OCc2c[nH+]cn2C)C(=O)O[C@H]1C ZINC001222595185 972594599 /nfs/dbraw/zinc/59/45/99/972594599.db2.gz SBCMIDJGSJQSBK-QMMMGPOBSA-N 1 2 222.244 1.156 20 0 BDADLO CO[C@H](C)CO[C@H](C)COCc1c[nH+]cn1C ZINC001222599404 972599818 /nfs/dbraw/zinc/59/98/18/972599818.db2.gz AREUVZULINCRRY-GHMZBOCLSA-N 1 2 242.319 1.377 20 0 BDADLO C[C@H]1COCC[C@H]1OCc1c[nH+]cn1C ZINC001222601153 972600577 /nfs/dbraw/zinc/60/05/77/972600577.db2.gz YNTIWHYYEOILDF-GXSJLCMTSA-N 1 2 210.277 1.362 20 0 BDADLO CC(C)C[C@H](O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144165263 972620145 /nfs/dbraw/zinc/62/01/45/972620145.db2.gz IKTFSKBCURCFLX-JTQLQIEISA-N 1 2 247.298 1.680 20 0 BDADLO CC1(C(=O)N2CCn3c[nH+]cc3C2)CCOCC1 ZINC001327610850 972668748 /nfs/dbraw/zinc/66/87/48/972668748.db2.gz UBRAHJTVMGPNLR-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO C[N@H+](Cc1ccc(O)cn1)C1(C)COC1 ZINC001144264972 972723673 /nfs/dbraw/zinc/72/36/73/972723673.db2.gz FYPBDHFFCIUDNP-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO C[N@@H+](Cc1ccc(O)cn1)C1(C)COC1 ZINC001144264972 972723683 /nfs/dbraw/zinc/72/36/83/972723683.db2.gz FYPBDHFFCIUDNP-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CCN(C(=O)[C@]1(C)C[C@@H]2C=C[C@H]1C2)C1C[NH+](C)C1 ZINC001144281908 972735562 /nfs/dbraw/zinc/73/55/62/972735562.db2.gz UWLHAFOKDHPGNJ-TYNCELHUSA-N 1 2 248.370 1.751 20 0 BDADLO CCS[C@@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327870967 972774566 /nfs/dbraw/zinc/77/45/66/972774566.db2.gz SQTYGCHYVQLCQE-SNVBAGLBSA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327870967 972774573 /nfs/dbraw/zinc/77/45/73/972774573.db2.gz SQTYGCHYVQLCQE-SNVBAGLBSA-N 1 2 240.376 1.912 20 0 BDADLO Cc1nc(NCC[C@@H](C)CO)c2c([nH+]1)CCC2 ZINC001160608042 972819548 /nfs/dbraw/zinc/81/95/48/972819548.db2.gz LZGIFUFMHUXWEV-SECBINFHSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)n[nH]1 ZINC001327950540 972825525 /nfs/dbraw/zinc/82/55/25/972825525.db2.gz QGWOEUYAICXFBZ-CABZTGNLSA-N 1 2 223.320 1.168 20 0 BDADLO COc1ncc(C[NH+]2CCC(O)CC2)cc1F ZINC001144451422 972828535 /nfs/dbraw/zinc/82/85/35/972828535.db2.gz VCVRIEKFRDAPEU-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO CC[NH+]1CC(OCc2noc(C(C)(C)C)n2)C1 ZINC001223184434 972867457 /nfs/dbraw/zinc/86/74/57/972867457.db2.gz SWLDOIDRKMJDIS-UHFFFAOYSA-N 1 2 239.319 1.588 20 0 BDADLO CN(Cc1nccs1)C(=O)Cc1[nH]cc[nH+]1 ZINC001328111097 972876372 /nfs/dbraw/zinc/87/63/72/972876372.db2.gz GECBRGRLXNVJSB-UHFFFAOYSA-N 1 2 236.300 1.067 20 0 BDADLO CO[C@@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144611602 972891395 /nfs/dbraw/zinc/89/13/95/972891395.db2.gz RWBFYNJRNIEPCS-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO CO[C@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144617395 972894808 /nfs/dbraw/zinc/89/48/08/972894808.db2.gz YWOCWWVZYMJEQO-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO CON(C(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001328201266 972897713 /nfs/dbraw/zinc/89/77/13/972897713.db2.gz KKARABOCYKVBPJ-VIFPVBQESA-N 1 2 211.265 1.243 20 0 BDADLO COCC1C[NH+](Cc2cc(F)c(O)cc2F)C1 ZINC001144646703 972910389 /nfs/dbraw/zinc/91/03/89/972910389.db2.gz HRJOBGRJLOQRAY-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO COc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)ccn1 ZINC001328317686 972957491 /nfs/dbraw/zinc/95/74/91/972957491.db2.gz UTBRSRWWSIRGQE-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246583777 972966126 /nfs/dbraw/zinc/96/61/26/972966126.db2.gz RYQHRIUMVFVIPD-NKWVEPMBSA-N 1 2 246.223 1.996 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246583777 972966136 /nfs/dbraw/zinc/96/61/36/972966136.db2.gz RYQHRIUMVFVIPD-NKWVEPMBSA-N 1 2 246.223 1.996 20 0 BDADLO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1nnc[nH]1 ZINC001328410116 973037085 /nfs/dbraw/zinc/03/70/85/973037085.db2.gz KZPABGIZIGARKK-ZETCQYMHSA-N 1 2 236.241 1.871 20 0 BDADLO CCCN(CCC)C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001160855686 973084783 /nfs/dbraw/zinc/08/47/83/973084783.db2.gz ADNBUKNMVCBHFI-LLVKDONJSA-N 1 2 239.319 1.065 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CC[C@@H](C)O1)n1cc[nH+]c1 ZINC001328615126 973195229 /nfs/dbraw/zinc/19/52/29/973195229.db2.gz DAMUFINXNSAMMG-GMTAPVOTSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C\C2CC2)nc[nH+]1 ZINC001328641023 973217262 /nfs/dbraw/zinc/21/72/62/973217262.db2.gz GPTCZIWBVSUJQH-MXQLGCADSA-N 1 2 248.330 1.647 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C\C2CC2)[nH+]cn1 ZINC001328641023 973217279 /nfs/dbraw/zinc/21/72/79/973217279.db2.gz GPTCZIWBVSUJQH-MXQLGCADSA-N 1 2 248.330 1.647 20 0 BDADLO Cc1cccc(N(C)C(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001328789811 973348472 /nfs/dbraw/zinc/34/84/72/973348472.db2.gz BLURIIAHBJZFQN-LLVKDONJSA-N 1 2 244.298 1.811 20 0 BDADLO C[C@H](C(=O)NCC1=CCCC1)n1cc[nH+]c1 ZINC001328829053 973360642 /nfs/dbraw/zinc/36/06/42/973360642.db2.gz UGIKFDYVRZUSHP-SNVBAGLBSA-N 1 2 219.288 1.671 20 0 BDADLO COc1cccc2c1C[N@H+](CCc1c[nH]nn1)C2 ZINC001328978320 973410544 /nfs/dbraw/zinc/41/05/44/973410544.db2.gz ZRWYQQFWWSHQKW-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc2c1C[N@@H+](CCc1c[nH]nn1)C2 ZINC001328978320 973410562 /nfs/dbraw/zinc/41/05/62/973410562.db2.gz ZRWYQQFWWSHQKW-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc2c1C[N@H+](CCc1cn[nH]n1)C2 ZINC001328978320 973410576 /nfs/dbraw/zinc/41/05/76/973410576.db2.gz ZRWYQQFWWSHQKW-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc2c1C[N@@H+](CCc1cn[nH]n1)C2 ZINC001328978320 973410589 /nfs/dbraw/zinc/41/05/89/973410589.db2.gz ZRWYQQFWWSHQKW-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cncc(C)c2)[nH+]1 ZINC001147405372 973605357 /nfs/dbraw/zinc/60/53/57/973605357.db2.gz PGLASADFMQVMSU-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO C[NH+](C)Cc1nnc([C@]23C[C@H]2COC3(C)C)o1 ZINC001329324178 973679537 /nfs/dbraw/zinc/67/95/37/973679537.db2.gz QBFVHMKEWWSDGP-UFBFGSQYSA-N 1 2 237.303 1.198 20 0 BDADLO Cc1nc(N(C)CCNC(=O)C2CCC2)cc[nH+]1 ZINC001099892258 973800617 /nfs/dbraw/zinc/80/06/17/973800617.db2.gz JAZIHDUUXDIKQE-UHFFFAOYSA-N 1 2 248.330 1.138 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccncn1 ZINC001148163854 973806599 /nfs/dbraw/zinc/80/65/99/973806599.db2.gz GREXZOIDPXQATB-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO Cc1cccc(F)c1C(=O)NCc1c[nH+]cn1C ZINC001329820453 973954563 /nfs/dbraw/zinc/95/45/63/973954563.db2.gz LORKKEWLJHPJRI-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccns1 ZINC001329948629 974044037 /nfs/dbraw/zinc/04/40/37/974044037.db2.gz WANGKYXOFBWKPD-SFYZADRCSA-N 1 2 237.332 1.683 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)no1 ZINC001171769834 974152653 /nfs/dbraw/zinc/15/26/53/974152653.db2.gz VFCOHCJGRGSIQO-SNVBAGLBSA-N 1 2 247.273 1.774 20 0 BDADLO O=C1CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171793866 974189477 /nfs/dbraw/zinc/18/94/77/974189477.db2.gz NBLPUKIRQRYFMO-LLVKDONJSA-N 1 2 233.286 1.958 20 0 BDADLO Fc1cccc2c1C[C@H]([NH+]1CC3(CCO3)C1)C2 ZINC001171804366 974197418 /nfs/dbraw/zinc/19/74/18/974197418.db2.gz FDZKHBGJIQBDAE-LLVKDONJSA-N 1 2 233.286 1.768 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171808422 974201616 /nfs/dbraw/zinc/20/16/16/974201616.db2.gz YREUYOPQQFQJLU-SNVBAGLBSA-N 1 2 237.274 1.398 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171808422 974201630 /nfs/dbraw/zinc/20/16/30/974201630.db2.gz YREUYOPQQFQJLU-SNVBAGLBSA-N 1 2 237.274 1.398 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H]1F ZINC001204080452 974244680 /nfs/dbraw/zinc/24/46/80/974244680.db2.gz LZLWIKQBPULAGX-WDEREUQCSA-N 1 2 210.252 1.250 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC/C=C\C1CC1 ZINC001330461203 974271525 /nfs/dbraw/zinc/27/15/25/974271525.db2.gz KDCONYCRZRJIHZ-UPHRSURJSA-N 1 2 219.288 1.425 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC/C=C\C1CC1 ZINC001330461203 974271535 /nfs/dbraw/zinc/27/15/35/974271535.db2.gz KDCONYCRZRJIHZ-UPHRSURJSA-N 1 2 219.288 1.425 20 0 BDADLO C[C@H]1CCC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001330548516 974307096 /nfs/dbraw/zinc/30/70/96/974307096.db2.gz YOYJPCJDHVMYGA-VHSXEESVSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001330548516 974307106 /nfs/dbraw/zinc/30/71/06/974307106.db2.gz YOYJPCJDHVMYGA-VHSXEESVSA-N 1 2 208.309 1.815 20 0 BDADLO COc1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001225254466 974310387 /nfs/dbraw/zinc/31/03/87/974310387.db2.gz JEDMVWIJDCZIKJ-ZDUSSCGKSA-N 1 2 237.299 1.405 20 0 BDADLO COc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001225254466 974310394 /nfs/dbraw/zinc/31/03/94/974310394.db2.gz JEDMVWIJDCZIKJ-ZDUSSCGKSA-N 1 2 237.299 1.405 20 0 BDADLO CCOCC(COCC)Oc1cc[nH+]cc1 ZINC001225291322 974366847 /nfs/dbraw/zinc/36/68/47/974366847.db2.gz RSNSVVAVQLKHGP-UHFFFAOYSA-N 1 2 225.288 1.902 20 0 BDADLO COC(=O)[C@@H]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001225291668 974366887 /nfs/dbraw/zinc/36/68/87/974366887.db2.gz VPCKACAEHGCYJQ-KOLCDFICSA-N 1 2 221.256 1.802 20 0 BDADLO CCC1(CC)CCC[N@@H+]1Cc1nc[nH]n1 ZINC001330723209 974440772 /nfs/dbraw/zinc/44/07/72/974440772.db2.gz QQRBIKWPODEVPH-UHFFFAOYSA-N 1 2 208.309 1.959 20 0 BDADLO CCC1(CC)CCC[N@H+]1Cc1nc[nH]n1 ZINC001330723209 974440782 /nfs/dbraw/zinc/44/07/82/974440782.db2.gz QQRBIKWPODEVPH-UHFFFAOYSA-N 1 2 208.309 1.959 20 0 BDADLO O[C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1(F)F ZINC001172241841 974506304 /nfs/dbraw/zinc/50/63/04/974506304.db2.gz LJMJKALSZYGGSD-GYIHNLGQSA-N 1 2 245.269 1.174 20 0 BDADLO O[C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1(F)F ZINC001172241841 974506307 /nfs/dbraw/zinc/50/63/07/974506307.db2.gz LJMJKALSZYGGSD-GYIHNLGQSA-N 1 2 245.269 1.174 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)[C@@H](C)O ZINC000170608767 974519067 /nfs/dbraw/zinc/51/90/67/974519067.db2.gz NBQKIPKEPMTKNT-HGCLJGPKSA-N 1 2 243.347 1.323 20 0 BDADLO CC[NH+]1CC(Oc2cc(F)ccc2OC)C1 ZINC001225645274 974618472 /nfs/dbraw/zinc/61/84/72/974618472.db2.gz XFWXPTYLPFDFCP-UHFFFAOYSA-N 1 2 225.263 1.917 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1C ZINC001331225658 974650769 /nfs/dbraw/zinc/65/07/69/974650769.db2.gz SNRZHTHYHPTEER-JTQLQIEISA-N 1 2 245.282 1.968 20 0 BDADLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C1(C)C ZINC001331416206 974712164 /nfs/dbraw/zinc/71/21/64/974712164.db2.gz TUTUCDFGYRGOJB-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@@H](C)CCOC(C)C ZINC001172432589 974717132 /nfs/dbraw/zinc/71/71/32/974717132.db2.gz AWLUELRLMCRJRU-JTQLQIEISA-N 1 2 231.336 1.731 20 0 BDADLO CCC(=O)Nc1ccc(OC2C[NH+](C)C2)cc1 ZINC001226055823 974772231 /nfs/dbraw/zinc/77/22/31/974772231.db2.gz PCXLALXAGHFTHN-UHFFFAOYSA-N 1 2 234.299 1.728 20 0 BDADLO Cc1c[nH]c(-c2noc([C@@H](C)n3cc[nH+]c3)n2)n1 ZINC001331618642 974778504 /nfs/dbraw/zinc/77/85/04/974778504.db2.gz OZBJXPHSAHZJBD-MRVPVSSYSA-N 1 2 244.258 1.574 20 0 BDADLO CC[NH+](CC)C[C@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226154892 974810689 /nfs/dbraw/zinc/81/06/89/974810689.db2.gz AVOQOTLIHUCZSA-JTQLQIEISA-N 1 2 239.319 1.600 20 0 BDADLO CC[NH+]1CC(Oc2cccnc2NC(C)=O)C1 ZINC001226156064 974812442 /nfs/dbraw/zinc/81/24/42/974812442.db2.gz OMEIJBUHJRTYGP-UHFFFAOYSA-N 1 2 235.287 1.123 20 0 BDADLO Cn1c(OC2C[NH+](C)C2)cc2ccccc21 ZINC001226236045 974833123 /nfs/dbraw/zinc/83/31/23/974833123.db2.gz WYFLUFGNLBTBTC-UHFFFAOYSA-N 1 2 216.284 1.871 20 0 BDADLO Cn1c[nH+]cc1CNCc1cn(C2CCC2)nn1 ZINC001331889717 974850072 /nfs/dbraw/zinc/85/00/72/974850072.db2.gz CPVZSMDLZTVVBZ-UHFFFAOYSA-N 1 2 246.318 1.026 20 0 BDADLO CC[NH+](CC)C[C@H](C)Oc1nccc(=O)[nH]1 ZINC001226324257 974856786 /nfs/dbraw/zinc/85/67/86/974856786.db2.gz IZNPLKVFSALWPC-VIFPVBQESA-N 1 2 225.292 1.291 20 0 BDADLO C[NH+]1CC(Oc2ncnc3ccc(F)cc32)C1 ZINC001226374580 974870452 /nfs/dbraw/zinc/87/04/52/974870452.db2.gz QBRVMMQUSVGNDS-UHFFFAOYSA-N 1 2 233.246 1.462 20 0 BDADLO C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(F)F ZINC001331988504 974908258 /nfs/dbraw/zinc/90/82/58/974908258.db2.gz BZNHCCLOTZIXGB-HTQZYQBOSA-N 1 2 231.246 1.604 20 0 BDADLO CC[NH+](CC)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001332054775 974936025 /nfs/dbraw/zinc/93/60/25/974936025.db2.gz UQOZQKPVLHWIBI-UHFFFAOYSA-N 1 2 248.286 1.679 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172915106 974963602 /nfs/dbraw/zinc/96/36/02/974963602.db2.gz NUEDXPCSRWRZHW-ZJUUUORDSA-N 1 2 227.304 1.239 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3c[nH]nc3c2)C1 ZINC001226584685 974965119 /nfs/dbraw/zinc/96/51/19/974965119.db2.gz AWDGLGDYRPAZKD-LBPRGKRZSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3c[nH]nc3c2)C1 ZINC001226584685 974965124 /nfs/dbraw/zinc/96/51/24/974965124.db2.gz AWDGLGDYRPAZKD-LBPRGKRZSA-N 1 2 247.298 1.272 20 0 BDADLO CCc1nccc(NCCNc2cccc[nH+]2)n1 ZINC001332183881 974998824 /nfs/dbraw/zinc/99/88/24/974998824.db2.gz WNVSAKPDQIZDGS-UHFFFAOYSA-N 1 2 243.314 1.958 20 0 BDADLO CC[NH+]1CC(Oc2nc3cccnc3[nH]2)C1 ZINC001226669848 975017265 /nfs/dbraw/zinc/01/72/65/975017265.db2.gz VHEDWLVTNMGNBT-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO CCc1nc(N2CC[C@](C)(C(=O)OC)C2)cc[nH+]1 ZINC001332251663 975029922 /nfs/dbraw/zinc/02/99/22/975029922.db2.gz DWMNMEFJUXWQME-ZDUSSCGKSA-N 1 2 249.314 1.428 20 0 BDADLO Cn1cccc1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001203254121 975056598 /nfs/dbraw/zinc/05/65/98/975056598.db2.gz FSRAHQSLDYXSGT-RYUDHWBXSA-N 1 2 244.285 1.270 20 0 BDADLO Cn1cccc1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001203254121 975056605 /nfs/dbraw/zinc/05/66/05/975056605.db2.gz FSRAHQSLDYXSGT-RYUDHWBXSA-N 1 2 244.285 1.270 20 0 BDADLO Cn1cccc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001203254278 975058034 /nfs/dbraw/zinc/05/80/34/975058034.db2.gz PISNCNMOOHIWSO-NWDGAFQWSA-N 1 2 226.295 1.320 20 0 BDADLO Cn1cccc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001203254278 975058039 /nfs/dbraw/zinc/05/80/39/975058039.db2.gz PISNCNMOOHIWSO-NWDGAFQWSA-N 1 2 226.295 1.320 20 0 BDADLO CCc1nc(C(=O)OCc2ccc[nH+]c2N)co1 ZINC001332351805 975067020 /nfs/dbraw/zinc/06/70/20/975067020.db2.gz FIZOMLVJMCLGDR-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO Cc1cc[nH+]c(N)c1CNCc1csnn1 ZINC001332718803 975268193 /nfs/dbraw/zinc/26/81/93/975268193.db2.gz UYCWDSMBAUCMKI-UHFFFAOYSA-N 1 2 235.316 1.114 20 0 BDADLO COc1ccc(OC2C[NH+](C)C2)c(C)c1 ZINC001227130542 975288182 /nfs/dbraw/zinc/28/81/82/975288182.db2.gz GKSUQDXBIQLNBC-UHFFFAOYSA-N 1 2 207.273 1.696 20 0 BDADLO Cc1cccc([C@@H](O)C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001332937232 975330179 /nfs/dbraw/zinc/33/01/79/975330179.db2.gz KCGASGGHEJJUSN-WFASDCNBSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1cccc([C@@H](O)C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001332937232 975330185 /nfs/dbraw/zinc/33/01/85/975330185.db2.gz KCGASGGHEJJUSN-WFASDCNBSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@@H]1COC[C@H]1F ZINC001227259783 975335038 /nfs/dbraw/zinc/33/50/38/975335038.db2.gz LSAMEFVKLWZHPU-NXEZZACHSA-N 1 2 211.236 1.814 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCCOC1=O ZINC001227264206 975339559 /nfs/dbraw/zinc/33/95/59/975339559.db2.gz KTRSFJJELQAAMY-SNVBAGLBSA-N 1 2 221.256 1.783 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001227426502 975399653 /nfs/dbraw/zinc/39/96/53/975399653.db2.gz NNLZQPASIGMIQL-WDEREUQCSA-N 1 2 246.314 1.262 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC001333293689 975625489 /nfs/dbraw/zinc/62/54/89/975625489.db2.gz XLWPOKHWGQRAAK-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO CO[C@@](C)(C[NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC001333371169 975717329 /nfs/dbraw/zinc/71/73/29/975717329.db2.gz PKHHGKHZOAKQQG-PELKAZGASA-N 1 2 239.319 1.844 20 0 BDADLO Cc1cc(F)cc(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001227848314 975737647 /nfs/dbraw/zinc/73/76/47/975737647.db2.gz PQLIPZKUCWLKAG-CYBMUJFWSA-N 1 2 239.290 1.844 20 0 BDADLO Cc1cc(F)cc(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001227848314 975737658 /nfs/dbraw/zinc/73/76/58/975737658.db2.gz PQLIPZKUCWLKAG-CYBMUJFWSA-N 1 2 239.290 1.844 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC001333463142 975798821 /nfs/dbraw/zinc/79/88/21/975798821.db2.gz VAHNXDCCBHYVOP-FGUAACIASA-N 1 2 236.319 1.247 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCn2cnnc2[C@@H]1C ZINC001333463142 975798835 /nfs/dbraw/zinc/79/88/35/975798835.db2.gz VAHNXDCCBHYVOP-FGUAACIASA-N 1 2 236.319 1.247 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC001333481057 975806589 /nfs/dbraw/zinc/80/65/89/975806589.db2.gz VANITCJTQPJCGL-LLVKDONJSA-N 1 2 241.331 1.629 20 0 BDADLO COCCCc1cn(CCCn2cc[nH+]c2)nn1 ZINC001333538689 975838116 /nfs/dbraw/zinc/83/81/16/975838116.db2.gz UVNKFIUVMTWIIA-UHFFFAOYSA-N 1 2 249.318 1.144 20 0 BDADLO Nc1ccc(-c2nnn(-c3cc[nH+]cc3)n2)cc1 ZINC001173882679 975949220 /nfs/dbraw/zinc/94/92/20/975949220.db2.gz ORXPLMVYKIQLDK-UHFFFAOYSA-N 1 2 238.254 1.307 20 0 BDADLO c1c[nH]c(OC2C[NH+](Cc3ccccc3)C2)n1 ZINC001228296475 976077193 /nfs/dbraw/zinc/07/71/93/976077193.db2.gz FYYYSYXZVHFTIQ-UHFFFAOYSA-N 1 2 229.283 1.673 20 0 BDADLO Cn1c[nH+]cc1CNCc1nc(C(F)F)no1 ZINC001333795524 976086014 /nfs/dbraw/zinc/08/60/14/976086014.db2.gz BLLGBKASBIFZNV-UHFFFAOYSA-N 1 2 243.217 1.031 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC001333847858 976121528 /nfs/dbraw/zinc/12/15/28/976121528.db2.gz BLSQMFZPDBARJF-LBPRGKRZSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC001333847858 976121536 /nfs/dbraw/zinc/12/15/36/976121536.db2.gz BLSQMFZPDBARJF-LBPRGKRZSA-N 1 2 247.298 1.368 20 0 BDADLO Cc1nc2ccc(OC3C[NH+](C)C3)cc2o1 ZINC001228338685 976136142 /nfs/dbraw/zinc/13/61/42/976136142.db2.gz LIVNMPASMHBHGK-UHFFFAOYSA-N 1 2 218.256 1.829 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc(C(N)=O)cc1 ZINC001174048541 976200728 /nfs/dbraw/zinc/20/07/28/976200728.db2.gz MGLYWXKICAIPFC-UHFFFAOYSA-N 1 2 243.266 1.933 20 0 BDADLO OCc1n[nH]c(C[NH2+]CC=Cc2ccccc2)n1 ZINC001204136487 976228823 /nfs/dbraw/zinc/22/88/23/976228823.db2.gz NETAZUQPYUASAI-DAXSKMNVSA-N 1 2 244.298 1.100 20 0 BDADLO Cc1cc(O)c[nH+]c1Nc1ccc(C(N)=O)cc1 ZINC001174048080 976284179 /nfs/dbraw/zinc/28/41/79/976284179.db2.gz WODCDBFWBFTTBI-UHFFFAOYSA-N 1 2 243.266 1.938 20 0 BDADLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)cnc1F ZINC001228583013 976345360 /nfs/dbraw/zinc/34/53/60/976345360.db2.gz TVQGDCNFYNISIH-NSHDSACASA-N 1 2 240.278 1.239 20 0 BDADLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)cnc1F ZINC001228583013 976345377 /nfs/dbraw/zinc/34/53/77/976345377.db2.gz TVQGDCNFYNISIH-NSHDSACASA-N 1 2 240.278 1.239 20 0 BDADLO C[C@@H](Nc1nccs1)[C@@H]1C[N@H+](C)CCO1 ZINC001334171678 976350106 /nfs/dbraw/zinc/35/01/06/976350106.db2.gz MFFGVBPFXYNOQD-BDAKNGLRSA-N 1 2 227.333 1.274 20 0 BDADLO C[C@@H](Nc1nccs1)[C@@H]1C[N@@H+](C)CCO1 ZINC001334171678 976350108 /nfs/dbraw/zinc/35/01/08/976350108.db2.gz MFFGVBPFXYNOQD-BDAKNGLRSA-N 1 2 227.333 1.274 20 0 BDADLO COCCCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC001334270147 976414562 /nfs/dbraw/zinc/41/45/62/976414562.db2.gz JIMNDVWITYIREI-UHFFFAOYSA-N 1 2 238.335 1.405 20 0 BDADLO COCCCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC001334270147 976414566 /nfs/dbraw/zinc/41/45/66/976414566.db2.gz JIMNDVWITYIREI-UHFFFAOYSA-N 1 2 238.335 1.405 20 0 BDADLO CC[NH+]1CC(Oc2cnc(OC)c(C)c2)C1 ZINC001228663163 976417741 /nfs/dbraw/zinc/41/77/41/976417741.db2.gz WHQKHQUJRZMAGD-UHFFFAOYSA-N 1 2 222.288 1.482 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228663878 976420178 /nfs/dbraw/zinc/42/01/78/976420178.db2.gz HLQPFMSAVPWIHB-SNVBAGLBSA-N 1 2 232.287 1.431 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228663878 976420182 /nfs/dbraw/zinc/42/01/82/976420182.db2.gz HLQPFMSAVPWIHB-SNVBAGLBSA-N 1 2 232.287 1.431 20 0 BDADLO c1nnc([C@@H]2CCC[N@H+]2CC[C@@H]2CCOC2)[nH]1 ZINC001334376220 976477245 /nfs/dbraw/zinc/47/72/45/976477245.db2.gz MWKPJWMSTXGOHD-MNOVXSKESA-N 1 2 236.319 1.368 20 0 BDADLO c1nnc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCOC2)[nH]1 ZINC001334376220 976477248 /nfs/dbraw/zinc/47/72/48/976477248.db2.gz MWKPJWMSTXGOHD-MNOVXSKESA-N 1 2 236.319 1.368 20 0 BDADLO CCc1sc([C@H]2COCC[NH2+]2)nc1C ZINC000259549577 976492141 /nfs/dbraw/zinc/49/21/41/976492141.db2.gz UMVNNMIWEGRKAB-MRVPVSSYSA-N 1 2 212.318 1.675 20 0 BDADLO CC[NH+]1CC(Oc2cccc3c2CNC3=O)C1 ZINC001228897667 976566082 /nfs/dbraw/zinc/56/60/82/976566082.db2.gz RTQBERSWAPVIMQ-UHFFFAOYSA-N 1 2 232.283 1.013 20 0 BDADLO CCC[C@H]1C[N@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC001334627831 976569587 /nfs/dbraw/zinc/56/95/87/976569587.db2.gz YPQCPDWCDBRUPV-KGTBHZDVSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@H]1C[N@@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC001334627831 976569596 /nfs/dbraw/zinc/56/95/96/976569596.db2.gz YPQCPDWCDBRUPV-KGTBHZDVSA-N 1 2 241.331 1.607 20 0 BDADLO Cn1c[nH+]c2ccc(-n3cccc3N)cc21 ZINC001174347012 976577604 /nfs/dbraw/zinc/57/76/04/976577604.db2.gz BWWHYBAZTCOBJN-UHFFFAOYSA-N 1 2 212.256 1.946 20 0 BDADLO C[NH+]1CC(Oc2ccc(C3CC3)cn2)C1 ZINC001229002871 976640892 /nfs/dbraw/zinc/64/08/92/976640892.db2.gz GCOPVNLMZLYNBI-UHFFFAOYSA-N 1 2 204.273 1.652 20 0 BDADLO CCc1cc(NCc2nccn2C)nc(CC)[nH+]1 ZINC001334918398 976788136 /nfs/dbraw/zinc/78/81/36/976788136.db2.gz AWZYMNFAFFVODP-UHFFFAOYSA-N 1 2 245.330 1.947 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NC/C=C/C1CC1 ZINC001229247950 976804955 /nfs/dbraw/zinc/80/49/55/976804955.db2.gz DQUFIIVZCWBTQR-HNQUOIGGSA-N 1 2 246.314 1.429 20 0 BDADLO Nc1cn(-c2ccc([NH+]3CCCC3)cc2)nc1N ZINC001174526182 976806576 /nfs/dbraw/zinc/80/65/76/976806576.db2.gz HMBXSVTZOLXISU-UHFFFAOYSA-N 1 2 243.314 1.637 20 0 BDADLO CNC(=O)c1ccc(Nc2[nH+]cccc2N)cc1 ZINC001174511628 976838660 /nfs/dbraw/zinc/83/86/60/976838660.db2.gz DCLWPHHJHTVIQH-UHFFFAOYSA-N 1 2 242.282 1.767 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@H](C)c1nncn1C ZINC001335313345 976950989 /nfs/dbraw/zinc/95/09/89/976950989.db2.gz GCAVXZAMPSCUJF-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@@H](C)c1nncn1C ZINC001335313346 976951999 /nfs/dbraw/zinc/95/19/99/976951999.db2.gz GCAVXZAMPSCUJF-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)CC1(O)CCCCC1 ZINC001335380878 977009486 /nfs/dbraw/zinc/00/94/86/977009486.db2.gz KVPHMPKMGZUWGX-SECBINFHSA-N 1 2 237.290 1.287 20 0 BDADLO CN(C)c1ccc([N@@H+]2C(=N)C=CC(F)=C2N)cc1 ZINC001174877360 977142078 /nfs/dbraw/zinc/14/20/78/977142078.db2.gz WUCVBUUWDFLRBH-UHFFFAOYSA-N 1 2 246.289 1.744 20 0 BDADLO CN(C)c1ccc([N@H+]2C(=N)C=CC(F)=C2N)cc1 ZINC001174877360 977142087 /nfs/dbraw/zinc/14/20/87/977142087.db2.gz WUCVBUUWDFLRBH-UHFFFAOYSA-N 1 2 246.289 1.744 20 0 BDADLO CC1=CC(=N)[N@H+](c2ccc(N(C)C)cc2)C=C1N ZINC001174879083 977145470 /nfs/dbraw/zinc/14/54/70/977145470.db2.gz ZGDLUYWHEGUFSY-UHFFFAOYSA-N 1 2 242.326 1.913 20 0 BDADLO CC1=CC(=N)[N@@H+](c2ccc(N(C)C)cc2)C=C1N ZINC001174879083 977145478 /nfs/dbraw/zinc/14/54/78/977145478.db2.gz ZGDLUYWHEGUFSY-UHFFFAOYSA-N 1 2 242.326 1.913 20 0 BDADLO CC/C=C/NC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175105524 977251558 /nfs/dbraw/zinc/25/15/58/977251558.db2.gz ZBPZISWGIBRURV-GQCTYLIASA-N 1 2 248.330 1.372 20 0 BDADLO CC/C=C/NC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175105524 977251570 /nfs/dbraw/zinc/25/15/70/977251570.db2.gz ZBPZISWGIBRURV-GQCTYLIASA-N 1 2 248.330 1.372 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccns1 ZINC001335848403 977326826 /nfs/dbraw/zinc/32/68/26/977326826.db2.gz XAWTUVGQWVJVNA-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccns1 ZINC001335848403 977326841 /nfs/dbraw/zinc/32/68/41/977326841.db2.gz XAWTUVGQWVJVNA-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO COc1nonc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175339167 977385910 /nfs/dbraw/zinc/38/59/10/977385910.db2.gz ZXPHPFKLZYZKQY-UHFFFAOYSA-N 1 2 235.247 1.283 20 0 BDADLO CCC(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001230969335 977405963 /nfs/dbraw/zinc/40/59/63/977405963.db2.gz KRGMJJFNVLBLNH-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO CCC(=O)NCCC[N@H+](C)Cc1coc(C)n1 ZINC001230978037 977411127 /nfs/dbraw/zinc/41/11/27/977411127.db2.gz VFUJBUGMORKYEV-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO CCC(=O)NCCC[N@@H+](C)Cc1coc(C)n1 ZINC001230978037 977411130 /nfs/dbraw/zinc/41/11/30/977411130.db2.gz VFUJBUGMORKYEV-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001336009532 977422382 /nfs/dbraw/zinc/42/23/82/977422382.db2.gz XBBINMYBAFWYRX-GWOFURMSSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001336009532 977422385 /nfs/dbraw/zinc/42/23/85/977422385.db2.gz XBBINMYBAFWYRX-GWOFURMSSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H]1COCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001336009533 977423763 /nfs/dbraw/zinc/42/37/63/977423763.db2.gz XBBINMYBAFWYRX-LNFKQOIKSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H]1COCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001336009533 977423767 /nfs/dbraw/zinc/42/37/67/977423767.db2.gz XBBINMYBAFWYRX-LNFKQOIKSA-N 1 2 249.314 1.054 20 0 BDADLO CSC[C@H](O)C[NH2+][C@@H](c1ncon1)C(C)C ZINC001336035717 977440280 /nfs/dbraw/zinc/44/02/80/977440280.db2.gz NEQUDCFJGJOOPP-RKDXNWHRSA-N 1 2 245.348 1.080 20 0 BDADLO C[C@@H](CON)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081814 977469304 /nfs/dbraw/zinc/46/93/04/977469304.db2.gz NQDGCEQZZCBVOZ-VIFPVBQESA-N 1 2 233.271 1.734 20 0 BDADLO COC(=O)c1occc1NC1=CCC[N@H+](C)C1 ZINC001175575435 977579768 /nfs/dbraw/zinc/57/97/68/977579768.db2.gz VBHDVWDFDJWFKQ-UHFFFAOYSA-N 1 2 236.271 1.698 20 0 BDADLO COC(=O)c1occc1NC1=CCC[N@@H+](C)C1 ZINC001175575435 977579773 /nfs/dbraw/zinc/57/97/73/977579773.db2.gz VBHDVWDFDJWFKQ-UHFFFAOYSA-N 1 2 236.271 1.698 20 0 BDADLO COC(=O)c1occc1N=C1CCC[N@H+](C)C1 ZINC001175575435 977579783 /nfs/dbraw/zinc/57/97/83/977579783.db2.gz VBHDVWDFDJWFKQ-UHFFFAOYSA-N 1 2 236.271 1.698 20 0 BDADLO COC(=O)c1occc1N=C1CCC[N@@H+](C)C1 ZINC001175575435 977579788 /nfs/dbraw/zinc/57/97/88/977579788.db2.gz VBHDVWDFDJWFKQ-UHFFFAOYSA-N 1 2 236.271 1.698 20 0 BDADLO COC1C[NH+](Cc2c[nH]c3cccnc23)C1 ZINC001231485260 977603575 /nfs/dbraw/zinc/60/35/75/977603575.db2.gz FMLOQXZVXVTTKD-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO CCN(Cc1c[nH]c2cccnc12)C1C[NH+](C)C1 ZINC001231492894 977612921 /nfs/dbraw/zinc/61/29/21/977612921.db2.gz PVFJMPOJKGVEDH-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO Cc1nc(N)ncc1Nc1ccn2cc[nH+]c2c1 ZINC001175670175 977647905 /nfs/dbraw/zinc/64/79/05/977647905.db2.gz XHQZCIRIGZSDRC-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO CC[C@H](F)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001336416022 977670506 /nfs/dbraw/zinc/67/05/06/977670506.db2.gz HLNFWJZFIULZGF-ZJUUUORDSA-N 1 2 239.294 1.484 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nc(C)ccc2O)C[C@@H]1F ZINC001231670103 977684535 /nfs/dbraw/zinc/68/45/35/977684535.db2.gz XYQRZRXGEGATJR-JOYOIKCWSA-N 1 2 240.278 1.264 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC001231669791 977687742 /nfs/dbraw/zinc/68/77/42/977687742.db2.gz QFUIDVPPDVTGCT-VIFPVBQESA-N 1 2 234.299 1.507 20 0 BDADLO COCc1ccc(C[NH+]2CC(C(=O)OC)C2)o1 ZINC001231692513 977691315 /nfs/dbraw/zinc/69/13/15/977691315.db2.gz ZTVUUSWFXWARSV-UHFFFAOYSA-N 1 2 239.271 1.031 20 0 BDADLO COc1ncc(F)cc1C[N@H+](C)[C@H]1CCOC1 ZINC001231744858 977723865 /nfs/dbraw/zinc/72/38/65/977723865.db2.gz ZRCPBMZGMZAVFM-NSHDSACASA-N 1 2 240.278 1.450 20 0 BDADLO COc1ncc(F)cc1C[N@@H+](C)[C@H]1CCOC1 ZINC001231744858 977723871 /nfs/dbraw/zinc/72/38/71/977723871.db2.gz ZRCPBMZGMZAVFM-NSHDSACASA-N 1 2 240.278 1.450 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CC[C@@H](OC)C1 ZINC001231739869 977730469 /nfs/dbraw/zinc/73/04/69/977730469.db2.gz KQDQOYUZTBZLSC-LLVKDONJSA-N 1 2 240.278 1.450 20 0 BDADLO Nc1cc(N2CCO[C@@H](c3ccco3)C2)[nH+]cn1 ZINC001336544360 977762435 /nfs/dbraw/zinc/76/24/35/977762435.db2.gz GIXBSHCCCVRNTD-SNVBAGLBSA-N 1 2 246.270 1.230 20 0 BDADLO C[C@@H](O)[C@@H](C)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001175890518 977769335 /nfs/dbraw/zinc/76/93/35/977769335.db2.gz AMUDMJIGWKHUIX-NXEZZACHSA-N 1 2 239.290 1.098 20 0 BDADLO COc1cnc(C[N@H+](C)Cc2cccnc2)cn1 ZINC001231934740 977802036 /nfs/dbraw/zinc/80/20/36/977802036.db2.gz ZPYSEAYOIFIONI-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cnc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC001231934740 977802041 /nfs/dbraw/zinc/80/20/41/977802041.db2.gz ZPYSEAYOIFIONI-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)O[C@H](CO)C2)[nH+]1 ZINC001336595108 977802981 /nfs/dbraw/zinc/80/29/81/977802981.db2.gz CSOOWCLLTWTNMX-ONGXEEELSA-N 1 2 240.278 1.115 20 0 BDADLO CCc1ccc(N2CCC[C@H](O)C2)[nH+]c1 ZINC001336621781 977818093 /nfs/dbraw/zinc/81/80/93/977818093.db2.gz DHBKCOAHNTXLHH-NSHDSACASA-N 1 2 206.289 1.605 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)Cc1cncnc1 ZINC001231986074 977821151 /nfs/dbraw/zinc/82/11/51/977821151.db2.gz DVRDPYSKKARKRV-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)Cc1cncnc1 ZINC001231986074 977821156 /nfs/dbraw/zinc/82/11/56/977821156.db2.gz DVRDPYSKKARKRV-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO CO[C@H]1CCN(c2cc(N)nc[nH+]2)CC1(C)C ZINC001336663696 977840388 /nfs/dbraw/zinc/84/03/88/977840388.db2.gz BJRMIQLUOPKAAF-VIFPVBQESA-N 1 2 236.319 1.310 20 0 BDADLO Cc1c[nH+]c(Nc2ccc3[nH]nnc3c2)c(N)c1 ZINC001175998537 977856766 /nfs/dbraw/zinc/85/67/66/977856766.db2.gz DDIWRTHKGAFFKL-UHFFFAOYSA-N 1 2 240.270 1.987 20 0 BDADLO Oc1cncc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001232044378 977869949 /nfs/dbraw/zinc/86/99/49/977869949.db2.gz QREFNMURLZNSON-SNVBAGLBSA-N 1 2 210.252 1.721 20 0 BDADLO Oc1cncc(C[N@H+]2CCC[C@@H]2CF)c1 ZINC001232044378 977869956 /nfs/dbraw/zinc/86/99/56/977869956.db2.gz QREFNMURLZNSON-SNVBAGLBSA-N 1 2 210.252 1.721 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232091199 977889686 /nfs/dbraw/zinc/88/96/86/977889686.db2.gz UJOOBKBSCNWHJH-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232091199 977889689 /nfs/dbraw/zinc/88/96/89/977889689.db2.gz UJOOBKBSCNWHJH-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO Nc1cc(N2CCC(O)(C3CCC3)CC2)[nH+]cn1 ZINC001336738018 977898108 /nfs/dbraw/zinc/89/81/08/977898108.db2.gz RKBZVCHPHWHIQA-UHFFFAOYSA-N 1 2 248.330 1.190 20 0 BDADLO COc1cc[nH+]cc1Nc1cncc(N)c1 ZINC001176117881 977945514 /nfs/dbraw/zinc/94/55/14/977945514.db2.gz BFEXKJWGOLDQNE-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO COc1cc[nH+]cc1-n1nc(C)cc1N ZINC001176117239 977945772 /nfs/dbraw/zinc/94/57/72/977945772.db2.gz XDGPSIZQRCLKIL-UHFFFAOYSA-N 1 2 204.233 1.167 20 0 BDADLO COc1cc[nH+]cc1-n1ncc(C)c1N ZINC001176119508 977952559 /nfs/dbraw/zinc/95/25/59/977952559.db2.gz QTWXHBNYAIDKBN-UHFFFAOYSA-N 1 2 204.233 1.167 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cnsc2)C1 ZINC001232227351 977956641 /nfs/dbraw/zinc/95/66/41/977956641.db2.gz LWQGTZXDSLBZLC-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cnsc2)C1 ZINC001232227351 977956650 /nfs/dbraw/zinc/95/66/50/977956650.db2.gz LWQGTZXDSLBZLC-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3cnsc3)C2)C1 ZINC001232230423 977963891 /nfs/dbraw/zinc/96/38/91/977963891.db2.gz JAPLMBVMWLRFBT-JTQLQIEISA-N 1 2 241.335 1.371 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3cnsc3)C2)C1 ZINC001232230423 977963894 /nfs/dbraw/zinc/96/38/94/977963894.db2.gz JAPLMBVMWLRFBT-JTQLQIEISA-N 1 2 241.335 1.371 20 0 BDADLO c1nscc1C[NH+]1CC2(CSC2)C1 ZINC001232231971 977972264 /nfs/dbraw/zinc/97/22/64/977972264.db2.gz YUSMRUJDAZPDOW-UHFFFAOYSA-N 1 2 212.343 1.692 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1 ZINC001232334329 978009375 /nfs/dbraw/zinc/00/93/75/978009375.db2.gz AHBQTMWBIWXHMP-RYUDHWBXSA-N 1 2 234.299 1.372 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1 ZINC001232334329 978009381 /nfs/dbraw/zinc/00/93/81/978009381.db2.gz AHBQTMWBIWXHMP-RYUDHWBXSA-N 1 2 234.299 1.372 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC001232341192 978018270 /nfs/dbraw/zinc/01/82/70/978018270.db2.gz NUTHZRQVFFDKIU-SNVBAGLBSA-N 1 2 234.347 1.108 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCN(C)[C@H](C)C1 ZINC001232341192 978018279 /nfs/dbraw/zinc/01/82/79/978018279.db2.gz NUTHZRQVFFDKIU-SNVBAGLBSA-N 1 2 234.347 1.108 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CCCCO1 ZINC001232340077 978021075 /nfs/dbraw/zinc/02/10/75/978021075.db2.gz LJLUHWWSUNZJFY-UHFFFAOYSA-N 1 2 207.277 1.500 20 0 BDADLO Nc1ccc[nH+]c1Nc1ccc2nonc2c1 ZINC001176321070 978036119 /nfs/dbraw/zinc/03/61/19/978036119.db2.gz MZOMYFCPCBLISY-UHFFFAOYSA-N 1 2 227.227 1.944 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccc(N)nc2)cn1 ZINC001232369232 978045527 /nfs/dbraw/zinc/04/55/27/978045527.db2.gz WZQHCRDABUXDTE-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccc(N)nc2)cn1 ZINC001232369232 978045540 /nfs/dbraw/zinc/04/55/40/978045540.db2.gz WZQHCRDABUXDTE-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO C[N@H+](Cc1ccc(N)nc1)Cc1cncnc1 ZINC001232369377 978046565 /nfs/dbraw/zinc/04/65/65/978046565.db2.gz CDMNMRWJQBHRAL-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1ccc(N)nc1)Cc1cncnc1 ZINC001232369377 978046573 /nfs/dbraw/zinc/04/65/73/978046573.db2.gz CDMNMRWJQBHRAL-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO c1cc2n(c1)CC[N@@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001232427288 978063632 /nfs/dbraw/zinc/06/36/32/978063632.db2.gz RINDWZUXZNPLNJ-UHFFFAOYSA-N 1 2 242.326 1.716 20 0 BDADLO c1cc2n(c1)CC[N@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001232427288 978063642 /nfs/dbraw/zinc/06/36/42/978063642.db2.gz RINDWZUXZNPLNJ-UHFFFAOYSA-N 1 2 242.326 1.716 20 0 BDADLO C[C@H](C(=O)N1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001595527137 978081218 /nfs/dbraw/zinc/08/12/18/978081218.db2.gz RHILCZUIIMIOQN-SNVBAGLBSA-N 1 2 219.288 1.457 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c(C)[nH]2)n(C)n1 ZINC001232461865 978098614 /nfs/dbraw/zinc/09/86/14/978098614.db2.gz GTNJECFUUWMYDT-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH]c(C)[nH+]2)n(C)n1 ZINC001232461865 978098624 /nfs/dbraw/zinc/09/86/24/978098624.db2.gz GTNJECFUUWMYDT-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO CCCC[N@H+](C)Cc1c(OC)ncnc1OC ZINC001232512938 978157920 /nfs/dbraw/zinc/15/79/20/978157920.db2.gz NVACKSNTYWLILU-UHFFFAOYSA-N 1 2 239.319 1.726 20 0 BDADLO CCCC[N@@H+](C)Cc1c(OC)ncnc1OC ZINC001232512938 978157925 /nfs/dbraw/zinc/15/79/25/978157925.db2.gz NVACKSNTYWLILU-UHFFFAOYSA-N 1 2 239.319 1.726 20 0 BDADLO CC1(CO)C[NH+](Cc2cccc(CF)n2)C1 ZINC001232535999 978166397 /nfs/dbraw/zinc/16/63/97/978166397.db2.gz SZEGINMUFKWMSK-UHFFFAOYSA-N 1 2 224.279 1.365 20 0 BDADLO C[C@H]1CCC(=O)CN1Cc1cccc(N(C)C)[nH+]1 ZINC001176735234 978170308 /nfs/dbraw/zinc/17/03/08/978170308.db2.gz QOVJOXFKEPAVHN-NSHDSACASA-N 1 2 247.342 1.701 20 0 BDADLO O=C1CC(F)(F)CN1C[NH+]1CCC(F)CC1 ZINC001337154630 978188114 /nfs/dbraw/zinc/18/81/14/978188114.db2.gz FHDFSERPJCZIKR-UHFFFAOYSA-N 1 2 236.237 1.245 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc2ccccn2n1 ZINC001176827347 978193994 /nfs/dbraw/zinc/19/39/94/978193994.db2.gz JGBONTBURWMHBM-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(Cl)ccnc1F ZINC001232615758 978196926 /nfs/dbraw/zinc/19/69/26/978196926.db2.gz QERPTUDJJOEBDF-HTQZYQBOSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(Cl)ccnc1F ZINC001232615758 978196932 /nfs/dbraw/zinc/19/69/32/978196932.db2.gz QERPTUDJJOEBDF-HTQZYQBOSA-N 1 2 244.697 1.829 20 0 BDADLO CCCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001176831751 978200137 /nfs/dbraw/zinc/20/01/37/978200137.db2.gz WEONLLFPQXGGLV-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCc1nn(C)cc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001337180845 978201163 /nfs/dbraw/zinc/20/11/63/978201163.db2.gz IIQUBDWALKGDJU-VIFPVBQESA-N 1 2 247.302 1.379 20 0 BDADLO CCc1nn(C)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001337180844 978203418 /nfs/dbraw/zinc/20/34/18/978203418.db2.gz IIQUBDWALKGDJU-SECBINFHSA-N 1 2 247.302 1.379 20 0 BDADLO CC[C@@H](F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001337199779 978211284 /nfs/dbraw/zinc/21/12/84/978211284.db2.gz ZIESXTORAJITJB-SNVBAGLBSA-N 1 2 227.283 1.480 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001176877643 978228735 /nfs/dbraw/zinc/22/87/35/978228735.db2.gz KEYBWYSAMZMYHG-GARJFASQSA-N 1 2 237.278 1.232 20 0 BDADLO CCCOC1C[NH+](Cc2ccc(CCO)cc2)C1 ZINC001232778559 978271981 /nfs/dbraw/zinc/27/19/81/978271981.db2.gz UMZVJGSHWFHIQD-UHFFFAOYSA-N 1 2 249.354 1.832 20 0 BDADLO C[N@@H+]1CCC12CN(c1cccnc1F)C2 ZINC001277715440 978279634 /nfs/dbraw/zinc/27/96/34/978279634.db2.gz HKDMVSDTBNDXKS-UHFFFAOYSA-N 1 2 207.252 1.115 20 0 BDADLO C[N@H+]1CCC12CN(c1cccnc1F)C2 ZINC001277715440 978279641 /nfs/dbraw/zinc/27/96/41/978279641.db2.gz HKDMVSDTBNDXKS-UHFFFAOYSA-N 1 2 207.252 1.115 20 0 BDADLO CC(C)(O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC001232825792 978302280 /nfs/dbraw/zinc/30/22/80/978302280.db2.gz BGTVGBGKVYMVJA-LLVKDONJSA-N 1 2 238.306 1.853 20 0 BDADLO CC(C)(O)c1ccc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC001232825792 978302291 /nfs/dbraw/zinc/30/22/91/978302291.db2.gz BGTVGBGKVYMVJA-LLVKDONJSA-N 1 2 238.306 1.853 20 0 BDADLO CCc1[nH]c(CNC(=O)C2(C(F)F)CC2)c[nH+]1 ZINC001597257858 978307176 /nfs/dbraw/zinc/30/71/76/978307176.db2.gz PDPCAVMFDWHCAW-UHFFFAOYSA-N 1 2 243.257 1.634 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2(C(F)F)CC2)[nH+]1 ZINC001597257858 978307188 /nfs/dbraw/zinc/30/71/88/978307188.db2.gz PDPCAVMFDWHCAW-UHFFFAOYSA-N 1 2 243.257 1.634 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC001232879087 978314650 /nfs/dbraw/zinc/31/46/50/978314650.db2.gz BFSDGYXAELSECS-CHWSQXEVSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC001232879087 978314664 /nfs/dbraw/zinc/31/46/64/978314664.db2.gz BFSDGYXAELSECS-CHWSQXEVSA-N 1 2 239.290 1.605 20 0 BDADLO Oc1c(F)ccc(C[N@H+]2CCC[C@H](O)C2)c1F ZINC001232930664 978341067 /nfs/dbraw/zinc/34/10/67/978341067.db2.gz CXDYXOUSEZTZSX-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Oc1c(F)ccc(C[N@@H+]2CCC[C@H](O)C2)c1F ZINC001232930664 978341078 /nfs/dbraw/zinc/34/10/78/978341078.db2.gz CXDYXOUSEZTZSX-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]c2c([nH+]1)CCCC2)C1CC1 ZINC001597585619 978342432 /nfs/dbraw/zinc/34/24/32/978342432.db2.gz XELUVGZYEBJGEC-SECBINFHSA-N 1 2 247.342 1.951 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)C(F)(F)F ZINC001337448778 978346146 /nfs/dbraw/zinc/34/61/46/978346146.db2.gz LURCZKZPGQNPDI-UHFFFAOYSA-N 1 2 249.236 1.625 20 0 BDADLO CN(CC(=O)N[C@H]1CC12CCC2)c1cccc[nH+]1 ZINC001177417102 978351720 /nfs/dbraw/zinc/35/17/20/978351720.db2.gz LGAIIELYHGJWRJ-NSHDSACASA-N 1 2 245.326 1.577 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2ncoc2c1 ZINC001232945742 978352997 /nfs/dbraw/zinc/35/29/97/978352997.db2.gz JLKUNSZSYMCOQH-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2ncoc2c1 ZINC001232945742 978353012 /nfs/dbraw/zinc/35/30/12/978353012.db2.gz JLKUNSZSYMCOQH-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2cnco2)[nH+]1 ZINC001597811687 978376017 /nfs/dbraw/zinc/37/60/17/978376017.db2.gz KGGXVCSFZZRSMD-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2cnco2)c[nH+]1 ZINC001597811687 978376023 /nfs/dbraw/zinc/37/60/23/978376023.db2.gz KGGXVCSFZZRSMD-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001337510123 978380745 /nfs/dbraw/zinc/38/07/45/978380745.db2.gz OQLIVKFZLZJNPU-NEPJUHHUSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCOC[C@H]2C)cn1 ZINC001233009002 978404093 /nfs/dbraw/zinc/40/40/93/978404093.db2.gz YOJDKUGKNZSTOQ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC001233009002 978404100 /nfs/dbraw/zinc/40/41/00/978404100.db2.gz YOJDKUGKNZSTOQ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cn1 ZINC001233009586 978408592 /nfs/dbraw/zinc/40/85/92/978408592.db2.gz FIOMXMOSFCSBGR-BETUJISGSA-N 1 2 218.300 1.672 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cn1 ZINC001233009586 978408597 /nfs/dbraw/zinc/40/85/97/978408597.db2.gz FIOMXMOSFCSBGR-BETUJISGSA-N 1 2 218.300 1.672 20 0 BDADLO CCO[C@H](C(=O)Nc1c(C)c[nH+]cc1C)C1CC1 ZINC001337641009 978437473 /nfs/dbraw/zinc/43/74/73/978437473.db2.gz UVFBCTINTDYOSY-ZDUSSCGKSA-N 1 2 248.326 1.874 20 0 BDADLO CCN(C(=O)[C@H](C)c1cccnc1)C1C[NH+](C)C1 ZINC001177789531 978438258 /nfs/dbraw/zinc/43/82/58/978438258.db2.gz YLCYIFMTUBYTDK-LLVKDONJSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1cc(O)cnc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177922645 978473016 /nfs/dbraw/zinc/47/30/16/978473016.db2.gz YXNXVCJZEFQDBD-SECBINFHSA-N 1 2 246.270 1.492 20 0 BDADLO C[C@H](C(=O)Nc1ccc[nH]c1=S)n1cc[nH+]c1 ZINC001177922055 978473844 /nfs/dbraw/zinc/47/38/44/978473844.db2.gz PBGVEVMVTRJODI-MRVPVSSYSA-N 1 2 248.311 1.767 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3nncc3C2)cnc1C ZINC001233161168 978482189 /nfs/dbraw/zinc/48/21/89/978482189.db2.gz VNHCMOXKJKFDAY-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1cc(C[N@H+]2CCn3nncc3C2)cnc1C ZINC001233161168 978482190 /nfs/dbraw/zinc/48/21/90/978482190.db2.gz VNHCMOXKJKFDAY-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cncc3C2)cnc1C ZINC001233162216 978482759 /nfs/dbraw/zinc/48/27/59/978482759.db2.gz XLKZTNSJZMNJQF-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cncc3C2)cnc1C ZINC001233162216 978482767 /nfs/dbraw/zinc/48/27/67/978482767.db2.gz XLKZTNSJZMNJQF-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)cc(=O)o1 ZINC001177992787 978493240 /nfs/dbraw/zinc/49/32/40/978493240.db2.gz DZQHMWHWTKIBBU-UHFFFAOYSA-N 1 2 247.254 1.243 20 0 BDADLO CCOC(=O)c1cnc(Nc2[nH]cc(C)[nH+]2)cn1 ZINC001337808387 978504908 /nfs/dbraw/zinc/50/49/08/978504908.db2.gz DBBDUIOWSKGHMG-UHFFFAOYSA-N 1 2 247.258 1.428 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc3cccc(F)c3[nH]2)C1 ZINC001150764783 978511045 /nfs/dbraw/zinc/51/10/45/978511045.db2.gz RGDBGQXXIIBBFN-UHFFFAOYSA-N 1 2 247.273 1.351 20 0 BDADLO c1nn2ccccc2c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001233236964 978511243 /nfs/dbraw/zinc/51/12/43/978511243.db2.gz HBLVARYMEMDXLM-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO c1nn2ccccc2c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001233236964 978511250 /nfs/dbraw/zinc/51/12/50/978511250.db2.gz HBLVARYMEMDXLM-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO c1cn([C@H]2CCCN(c3nncs3)C2)c[nH+]1 ZINC001337836578 978519781 /nfs/dbraw/zinc/51/97/81/978519781.db2.gz CDEWHWLUILZKJZ-VIFPVBQESA-N 1 2 235.316 1.576 20 0 BDADLO Cc1cnsc1C[NH+]1CC(C)(CO)C1 ZINC001233318138 978550248 /nfs/dbraw/zinc/55/02/48/978550248.db2.gz RJQGXBTXGTXQNV-UHFFFAOYSA-N 1 2 212.318 1.266 20 0 BDADLO C[C@@H](c1nc(Cc2ccon2)no1)n1cc[nH+]c1 ZINC001337916160 978563299 /nfs/dbraw/zinc/56/32/99/978563299.db2.gz IIUZJGRNKQXAJN-QMMMGPOBSA-N 1 2 245.242 1.454 20 0 BDADLO CC(C)c1cccc(CC(=O)NC2C[NH+](C)C2)n1 ZINC001178452102 978567705 /nfs/dbraw/zinc/56/77/05/978567705.db2.gz IVXQLTUAXTUKJE-UHFFFAOYSA-N 1 2 247.342 1.178 20 0 BDADLO OC1C[NH+](Cc2cc3cccnc3s2)C1 ZINC001233345333 978569677 /nfs/dbraw/zinc/56/96/77/978569677.db2.gz PVIXXRYHTCPBHY-UHFFFAOYSA-N 1 2 220.297 1.473 20 0 BDADLO CCc1ccc(N(C)[C@@H]2CCC[C@H]2O)[nH+]c1 ZINC001337955415 978577346 /nfs/dbraw/zinc/57/73/46/978577346.db2.gz IECLTHOMAQVQEA-VXGBXAGGSA-N 1 2 220.316 1.994 20 0 BDADLO COC(=O)[C@@]1(C)CCCN1Cc1cccc(N)[nH+]1 ZINC001233369412 978582368 /nfs/dbraw/zinc/58/23/68/978582368.db2.gz NHBVEJMSBZKUHF-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(N)n1 ZINC001233369412 978582377 /nfs/dbraw/zinc/58/23/77/978582377.db2.gz NHBVEJMSBZKUHF-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(N)n1 ZINC001233369412 978582386 /nfs/dbraw/zinc/58/23/86/978582386.db2.gz NHBVEJMSBZKUHF-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO COC(=O)[C@@H]1CCCCN1Cc1cccc(N)[nH+]1 ZINC001233369649 978583417 /nfs/dbraw/zinc/58/34/17/978583417.db2.gz XNICXRPDUIEXAY-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)[nH+]cn1 ZINC001338009504 978588552 /nfs/dbraw/zinc/58/85/52/978588552.db2.gz CTJGKMLYGANZJI-HBNTYKKESA-N 1 2 248.330 1.189 20 0 BDADLO Cc1nc(NCCC2CSC2)cc[nH+]1 ZINC001338082723 978609036 /nfs/dbraw/zinc/60/90/36/978609036.db2.gz NRANQQIGLNLXSC-UHFFFAOYSA-N 1 2 209.318 1.950 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccnc1F ZINC001178690389 978609416 /nfs/dbraw/zinc/60/94/16/978609416.db2.gz YPNFCLLEJQLCJS-SNVBAGLBSA-N 1 2 237.278 1.644 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccnc1F ZINC001178690389 978609421 /nfs/dbraw/zinc/60/94/21/978609421.db2.gz YPNFCLLEJQLCJS-SNVBAGLBSA-N 1 2 237.278 1.644 20 0 BDADLO Cc1cnc(C)c(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001178690208 978611825 /nfs/dbraw/zinc/61/18/25/978611825.db2.gz PZZGLELFYAZAJI-LLVKDONJSA-N 1 2 248.330 1.516 20 0 BDADLO Cc1cnc(C)c(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001178690208 978611828 /nfs/dbraw/zinc/61/18/28/978611828.db2.gz PZZGLELFYAZAJI-LLVKDONJSA-N 1 2 248.330 1.516 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccnc1F ZINC001178690388 978612530 /nfs/dbraw/zinc/61/25/30/978612530.db2.gz YPNFCLLEJQLCJS-JTQLQIEISA-N 1 2 237.278 1.644 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cccnc1F ZINC001178690388 978612537 /nfs/dbraw/zinc/61/25/37/978612537.db2.gz YPNFCLLEJQLCJS-JTQLQIEISA-N 1 2 237.278 1.644 20 0 BDADLO C/C=C(\C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233560866 978625383 /nfs/dbraw/zinc/62/53/83/978625383.db2.gz NCPBLIXKLOITMI-INJWIWPUSA-N 1 2 228.311 1.455 20 0 BDADLO C/C=C(\C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233560866 978625386 /nfs/dbraw/zinc/62/53/86/978625386.db2.gz NCPBLIXKLOITMI-INJWIWPUSA-N 1 2 228.311 1.455 20 0 BDADLO CC[N@@H+]1CC[C@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585210 978633104 /nfs/dbraw/zinc/63/31/04/978633104.db2.gz ATWKMYAETVZHNZ-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO CC[N@H+]1CC[C@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585210 978633106 /nfs/dbraw/zinc/63/31/06/978633106.db2.gz ATWKMYAETVZHNZ-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)COCC1CC1 ZINC001338243485 978643584 /nfs/dbraw/zinc/64/35/84/978643584.db2.gz PEEUJFXVFDLLQW-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO CN(C(=O)CC[NH2+]CC(F)F)c1ccccc1 ZINC001338475986 978688148 /nfs/dbraw/zinc/68/81/48/978688148.db2.gz UKGAXGLIOYMNHH-UHFFFAOYSA-N 1 2 242.269 1.894 20 0 BDADLO C[NH+]1CC(Oc2nc3c(cccc3F)[nH]2)C1 ZINC001233923659 978729041 /nfs/dbraw/zinc/72/90/41/978729041.db2.gz KNYIDTFMRNYOIO-UHFFFAOYSA-N 1 2 221.235 1.395 20 0 BDADLO COc1cccc(OC)c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001204253349 978741490 /nfs/dbraw/zinc/74/14/90/978741490.db2.gz NHVCEXBRDQKZTP-SMDDNHRTSA-N 1 2 249.310 1.677 20 0 BDADLO COc1cccc(OC)c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001204253349 978741495 /nfs/dbraw/zinc/74/14/95/978741495.db2.gz NHVCEXBRDQKZTP-SMDDNHRTSA-N 1 2 249.310 1.677 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001338889083 978745138 /nfs/dbraw/zinc/74/51/38/978745138.db2.gz VPLWJTQOOHVKLD-WDEREUQCSA-N 1 2 223.320 1.949 20 0 BDADLO [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178226 978786695 /nfs/dbraw/zinc/78/66/95/978786695.db2.gz KTVGDQOLWUYNGE-GXFFZTMASA-N 1 2 249.314 1.026 20 0 BDADLO [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178226 978786699 /nfs/dbraw/zinc/78/66/99/978786699.db2.gz KTVGDQOLWUYNGE-GXFFZTMASA-N 1 2 249.314 1.026 20 0 BDADLO Cc1nc(CCN(C)Cc2[nH]c(C)[nH+]c2C)no1 ZINC001234601565 978870104 /nfs/dbraw/zinc/87/01/04/978870104.db2.gz QQLWENWYHNSSDF-UHFFFAOYSA-N 1 2 249.318 1.392 20 0 BDADLO CC[NH+]1CC(Oc2ccc3n[nH]cc3n2)C1 ZINC001234660557 978893907 /nfs/dbraw/zinc/89/39/07/978893907.db2.gz JAWVKUDYMRTHDK-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO Nc1cc(N2CCC[C@@H](C3CC3)C2)[nH+]cn1 ZINC001339722199 978899449 /nfs/dbraw/zinc/89/94/49/978899449.db2.gz RCAIKHZDSUWWNX-SNVBAGLBSA-N 1 2 218.304 1.685 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nc2c(o1)CCCC2 ZINC001180588257 978920470 /nfs/dbraw/zinc/92/04/70/978920470.db2.gz ANIHQCUJESXGPC-UHFFFAOYSA-N 1 2 246.270 1.458 20 0 BDADLO CCOC(=O)c1cc(C[N@H+](C)CC(C)=O)c[nH]1 ZINC001234923529 978930187 /nfs/dbraw/zinc/93/01/87/978930187.db2.gz KPPHRNDKTDMKEK-UHFFFAOYSA-N 1 2 238.287 1.212 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+](C)CC(C)=O)c[nH]1 ZINC001234923529 978930192 /nfs/dbraw/zinc/93/01/92/978930192.db2.gz KPPHRNDKTDMKEK-UHFFFAOYSA-N 1 2 238.287 1.212 20 0 BDADLO C[C@@]1(CF)CC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235002600 978945264 /nfs/dbraw/zinc/94/52/64/978945264.db2.gz BWFDLGRAFYRWOL-NSHDSACASA-N 1 2 227.258 1.797 20 0 BDADLO C[C@@]1(CF)CC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235002600 978945266 /nfs/dbraw/zinc/94/52/66/978945266.db2.gz BWFDLGRAFYRWOL-NSHDSACASA-N 1 2 227.258 1.797 20 0 BDADLO CSC1CC[NH+](Cc2ncc(F)cn2)CC1 ZINC001235009726 978950028 /nfs/dbraw/zinc/95/00/28/978950028.db2.gz AHOGEUUHKCMPES-UHFFFAOYSA-N 1 2 241.335 1.943 20 0 BDADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cnn(C)n2)cnn1C ZINC001339979374 978950555 /nfs/dbraw/zinc/95/05/55/978950555.db2.gz JSWSGYKMUACMAH-RKDXNWHRSA-N 1 2 248.334 1.269 20 0 BDADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cnn(C)n2)cnn1C ZINC001339979369 978952571 /nfs/dbraw/zinc/95/25/71/978952571.db2.gz JSWSGYKMUACMAH-BDAKNGLRSA-N 1 2 248.334 1.269 20 0 BDADLO FC[C@H]1[C@@H]2C[N@H+](Cc3ncc(F)cn3)C[C@H]12 ZINC001235016763 978952991 /nfs/dbraw/zinc/95/29/91/978952991.db2.gz KGVKCDRAPWLLFQ-OWUUHHOZSA-N 1 2 225.242 1.263 20 0 BDADLO FC[C@H]1[C@@H]2C[N@@H+](Cc3ncc(F)cn3)C[C@H]12 ZINC001235016763 978952993 /nfs/dbraw/zinc/95/29/93/978952993.db2.gz KGVKCDRAPWLLFQ-OWUUHHOZSA-N 1 2 225.242 1.263 20 0 BDADLO Sc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235049038 978962083 /nfs/dbraw/zinc/96/20/83/978962083.db2.gz PYIFNVBCHHUPOP-QWHCGFSZSA-N 1 2 234.368 1.912 20 0 BDADLO C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C)n1cc[nH+]c1 ZINC001340274421 978997239 /nfs/dbraw/zinc/99/72/39/978997239.db2.gz UJHLFNCBQHKNFW-AXFHLTTASA-N 1 2 221.304 1.844 20 0 BDADLO NC(=O)C1C[NH+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235248966 979005954 /nfs/dbraw/zinc/00/59/54/979005954.db2.gz MWPBWMJIRSLEGT-UHFFFAOYSA-N 1 2 247.273 1.224 20 0 BDADLO CCc1cccc(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)n1 ZINC001235249289 979007665 /nfs/dbraw/zinc/00/76/65/979007665.db2.gz ALSDYWGOAAOCAH-QWHCGFSZSA-N 1 2 238.306 1.813 20 0 BDADLO CCc1cccc(C[N@@H+]2C[C@@H](OC)[C@@H](F)C2)n1 ZINC001235249289 979007671 /nfs/dbraw/zinc/00/76/71/979007671.db2.gz ALSDYWGOAAOCAH-QWHCGFSZSA-N 1 2 238.306 1.813 20 0 BDADLO COc1cc(C[NH+]2CC(C)C2)c(F)cn1 ZINC001235319697 979021366 /nfs/dbraw/zinc/02/13/66/979021366.db2.gz JPEFEJRJQGLEKO-UHFFFAOYSA-N 1 2 210.252 1.681 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001235342744 979031031 /nfs/dbraw/zinc/03/10/31/979031031.db2.gz KHHKPCKJLVUQMH-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001235342744 979031037 /nfs/dbraw/zinc/03/10/37/979031037.db2.gz KHHKPCKJLVUQMH-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCNC[C@@H]2CO)cc1C ZINC001235442122 979044670 /nfs/dbraw/zinc/04/46/70/979044670.db2.gz HNRQFSGXSIJKAZ-OAHLLOKOSA-N 1 2 248.370 1.378 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCNC[C@@H]2CO)cc1C ZINC001235442122 979044677 /nfs/dbraw/zinc/04/46/77/979044677.db2.gz HNRQFSGXSIJKAZ-OAHLLOKOSA-N 1 2 248.370 1.378 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCCC(F)(F)C1 ZINC001235541552 979087562 /nfs/dbraw/zinc/08/75/62/979087562.db2.gz VPSISGXJDVBTIN-UHFFFAOYSA-N 1 2 229.274 1.960 20 0 BDADLO CCN(Cc1c(C)[nH+]cn1C)[C@@H](C)C(=O)OC ZINC001235570460 979098219 /nfs/dbraw/zinc/09/82/19/979098219.db2.gz UQINXEMPWTZIIZ-JTQLQIEISA-N 1 2 239.319 1.112 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC001340802807 979114525 /nfs/dbraw/zinc/11/45/25/979114525.db2.gz MOYNVJHPUBXANQ-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC001340802807 979114532 /nfs/dbraw/zinc/11/45/32/979114532.db2.gz MOYNVJHPUBXANQ-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001181512502 979126082 /nfs/dbraw/zinc/12/60/82/979126082.db2.gz PUZAMBIWHFGNSA-SNVBAGLBSA-N 1 2 223.320 1.371 20 0 BDADLO O=C([O-])c1coc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC001602555426 979129674 /nfs/dbraw/zinc/12/96/74/979129674.db2.gz PZDRUBWGPHIZQJ-UHFFFAOYSA-N 1 2 238.287 1.210 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)Cc1cncnc1 ZINC001235820659 979160437 /nfs/dbraw/zinc/16/04/37/979160437.db2.gz ZQRSCJCFZHAMJF-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)Cc1cncnc1 ZINC001235820659 979160445 /nfs/dbraw/zinc/16/04/45/979160445.db2.gz ZQRSCJCFZHAMJF-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCO1 ZINC001181580466 979167545 /nfs/dbraw/zinc/16/75/45/979167545.db2.gz ZSCZBPSRTGXMON-LBPRGKRZSA-N 1 2 243.266 1.600 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1CCO1 ZINC001181589942 979189586 /nfs/dbraw/zinc/18/95/86/979189586.db2.gz SJJXRHJGZVBMTP-NSHDSACASA-N 1 2 235.287 1.013 20 0 BDADLO Cn1c[nH+]cc1C1CCN(C(=O)C2CC2)CC1 ZINC001341096541 979224080 /nfs/dbraw/zinc/22/40/80/979224080.db2.gz XTJVQXKVYDVPKW-UHFFFAOYSA-N 1 2 233.315 1.536 20 0 BDADLO [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc([S-])cc1)C2 ZINC001235986767 979267564 /nfs/dbraw/zinc/26/75/64/979267564.db2.gz FPTKAUDHGIFRCS-AAEUAGOBSA-N 1 2 234.368 1.898 20 0 BDADLO [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001235986767 979267571 /nfs/dbraw/zinc/26/75/71/979267571.db2.gz FPTKAUDHGIFRCS-AAEUAGOBSA-N 1 2 234.368 1.898 20 0 BDADLO Cc1cc(-c2cnc3nonc3c2)c[nH+]c1N ZINC001236032277 979330903 /nfs/dbraw/zinc/33/09/03/979330903.db2.gz ZFLDXNUHRKIGOL-UHFFFAOYSA-N 1 2 227.227 1.570 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)[nH]n1 ZINC001341540513 979458634 /nfs/dbraw/zinc/45/86/34/979458634.db2.gz USMYDMNNQFRIKN-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ccc(O)cc3C2)[nH]n1 ZINC001341540513 979458638 /nfs/dbraw/zinc/45/86/38/979458638.db2.gz USMYDMNNQFRIKN-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO CCOC[C@H]1CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001341567195 979470120 /nfs/dbraw/zinc/47/01/20/979470120.db2.gz FPWLEUZWPCJCCN-LBPRGKRZSA-N 1 2 237.347 1.967 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001341567195 979470128 /nfs/dbraw/zinc/47/01/28/979470128.db2.gz FPWLEUZWPCJCCN-LBPRGKRZSA-N 1 2 237.347 1.967 20 0 BDADLO Oc1cncc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001236584951 979669996 /nfs/dbraw/zinc/66/99/96/979669996.db2.gz MVNTWARUBKOOQF-UHFFFAOYSA-N 1 2 227.267 1.850 20 0 BDADLO Oc1cc(C[N@H+](C2CC2)C2COC2)ccc1F ZINC001236711358 979702858 /nfs/dbraw/zinc/70/28/58/979702858.db2.gz SSRBFAFZJUZLAS-UHFFFAOYSA-N 1 2 237.274 1.895 20 0 BDADLO Oc1cc(C[N@@H+](C2CC2)C2COC2)ccc1F ZINC001236711358 979702868 /nfs/dbraw/zinc/70/28/68/979702868.db2.gz SSRBFAFZJUZLAS-UHFFFAOYSA-N 1 2 237.274 1.895 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(F)c(O)c1 ZINC001236706036 979703956 /nfs/dbraw/zinc/70/39/56/979703956.db2.gz RGWAEAJOPLBKOG-UHFFFAOYSA-N 1 2 240.278 1.051 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(F)c(O)c1 ZINC001236706036 979703974 /nfs/dbraw/zinc/70/39/74/979703974.db2.gz RGWAEAJOPLBKOG-UHFFFAOYSA-N 1 2 240.278 1.051 20 0 BDADLO C[NH+]1CC(NC(=O)CCOCc2ccccc2)C1 ZINC001183092258 979721039 /nfs/dbraw/zinc/72/10/39/979721039.db2.gz FCBOHMKLJIZIHW-UHFFFAOYSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@H](c1nc(-c2ccon2)no1)n1cc[nH+]c1 ZINC001342561427 979830042 /nfs/dbraw/zinc/83/00/42/979830042.db2.gz USUWGYFLCHAEQA-SSDOTTSWSA-N 1 2 231.215 1.530 20 0 BDADLO Cn1cnc2c1C[N@H+](CC1OC=CC1=S)CC2 ZINC001237183537 979833780 /nfs/dbraw/zinc/83/37/80/979833780.db2.gz GARPMRXEJYCRPM-UHFFFAOYSA-N 1 2 249.339 1.860 20 0 BDADLO Cn1cnc2c1C[N@@H+](CC1OC=CC1=S)CC2 ZINC001237183537 979833783 /nfs/dbraw/zinc/83/37/83/979833783.db2.gz GARPMRXEJYCRPM-UHFFFAOYSA-N 1 2 249.339 1.860 20 0 BDADLO CC(=O)[C@H]1C[N@H+](CC2OC=CC2=S)CCO1 ZINC001237186290 979837364 /nfs/dbraw/zinc/83/73/64/979837364.db2.gz KRDPIRJGCXNKLO-SECBINFHSA-N 1 2 241.312 1.358 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](CC2OC=CC2=S)CCO1 ZINC001237186290 979837367 /nfs/dbraw/zinc/83/73/67/979837367.db2.gz KRDPIRJGCXNKLO-SECBINFHSA-N 1 2 241.312 1.358 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001237186852 979837481 /nfs/dbraw/zinc/83/74/81/979837481.db2.gz UCUCGSGMLIKKCC-JGVFFNPUSA-N 1 2 211.286 1.541 20 0 BDADLO S=C1C=COC1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001237186852 979837484 /nfs/dbraw/zinc/83/74/84/979837484.db2.gz UCUCGSGMLIKKCC-JGVFFNPUSA-N 1 2 211.286 1.541 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCOC3)nn2ccccc12 ZINC001237439761 979890775 /nfs/dbraw/zinc/89/07/75/979890775.db2.gz ASICCCJFERXAFN-UHFFFAOYSA-N 1 2 243.310 1.557 20 0 BDADLO C[NH+]1CC(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001183882994 979895398 /nfs/dbraw/zinc/89/53/98/979895398.db2.gz XGMKULDZPCZSCQ-UHFFFAOYSA-N 1 2 222.332 1.387 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1nccs1 ZINC001342885460 979929564 /nfs/dbraw/zinc/92/95/64/979929564.db2.gz YUJWQJCNLYEOMY-UHFFFAOYSA-N 1 2 248.355 1.894 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ncccn1 ZINC001237587504 979943041 /nfs/dbraw/zinc/94/30/41/979943041.db2.gz FTHWHARDFCKPDD-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO CCn1c[nH+]cc1CN(C)CC(F)(F)F ZINC001237587996 979943741 /nfs/dbraw/zinc/94/37/41/979943741.db2.gz LOLCLEMWEYMUGH-UHFFFAOYSA-N 1 2 221.226 1.897 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001237588724 979948899 /nfs/dbraw/zinc/94/88/99/979948899.db2.gz UEYFOVREZFOFGB-GHMZBOCLSA-N 1 2 241.310 1.055 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001237593128 979951355 /nfs/dbraw/zinc/95/13/55/979951355.db2.gz GRXNNHNCCYFRHG-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@@H]1C(C)C ZINC001237593128 979951358 /nfs/dbraw/zinc/95/13/58/979951358.db2.gz GRXNNHNCCYFRHG-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO Cc1coc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001237636451 979990586 /nfs/dbraw/zinc/99/05/86/979990586.db2.gz ZRPRYKCDNDZKKZ-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1coc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC001237636451 979990593 /nfs/dbraw/zinc/99/05/93/979990593.db2.gz ZRPRYKCDNDZKKZ-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001237637124 979990907 /nfs/dbraw/zinc/99/09/07/979990907.db2.gz DUDDXIYKYHNMPV-VXGBXAGGSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001237637124 979990916 /nfs/dbraw/zinc/99/09/16/979990916.db2.gz DUDDXIYKYHNMPV-VXGBXAGGSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@H](O)c1cccc(N2CCn3c[nH+]cc3C2)n1 ZINC001343039623 979991626 /nfs/dbraw/zinc/99/16/26/979991626.db2.gz MIPDVEGUSUGVPS-JTQLQIEISA-N 1 2 244.298 1.352 20 0 BDADLO Fc1cc(Cn2cc[nH+]c2)ccc1-c1nn[nH]n1 ZINC001606310976 979996599 /nfs/dbraw/zinc/99/65/99/979996599.db2.gz DFTGVLVUBNMXKX-UHFFFAOYSA-N 1 2 244.233 1.251 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001237652578 980016344 /nfs/dbraw/zinc/01/63/44/980016344.db2.gz WYSMTWPDXZPTFN-NWDGAFQWSA-N 1 2 241.310 1.267 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001237652578 980016350 /nfs/dbraw/zinc/01/63/50/980016350.db2.gz WYSMTWPDXZPTFN-NWDGAFQWSA-N 1 2 241.310 1.267 20 0 BDADLO CC(C)CC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184325936 980027199 /nfs/dbraw/zinc/02/71/99/980027199.db2.gz BUNOOJKTAFJWHF-UHFFFAOYSA-N 1 2 245.282 1.888 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)no1 ZINC001343171052 980028903 /nfs/dbraw/zinc/02/89/03/980028903.db2.gz SEFXKFYDFSSOQZ-PSASIEDQSA-N 1 2 237.303 1.740 20 0 BDADLO CC(=O)[C@H](C)CC(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001184346094 980055089 /nfs/dbraw/zinc/05/50/89/980055089.db2.gz ZAVQYIWRQFKSFL-SECBINFHSA-N 1 2 240.347 1.201 20 0 BDADLO Cc1nc(C[NH+]2CC(C)(CO)C2)ccc1F ZINC001237812137 980060554 /nfs/dbraw/zinc/06/05/54/980060554.db2.gz BDQMFCHMKDADNS-UHFFFAOYSA-N 1 2 224.279 1.343 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001237809928 980062514 /nfs/dbraw/zinc/06/25/14/980062514.db2.gz KNESNMOLUSGLBG-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001237809928 980062522 /nfs/dbraw/zinc/06/25/22/980062522.db2.gz KNESNMOLUSGLBG-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]ccc1=O ZINC001237848749 980096374 /nfs/dbraw/zinc/09/63/74/980096374.db2.gz QPWYYWOXXRVVII-LLVKDONJSA-N 1 2 243.310 1.753 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]ccc1=O ZINC001237848749 980096383 /nfs/dbraw/zinc/09/63/83/980096383.db2.gz QPWYYWOXXRVVII-LLVKDONJSA-N 1 2 243.310 1.753 20 0 BDADLO COc1ccncc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001343409808 980100086 /nfs/dbraw/zinc/10/00/86/980100086.db2.gz SJALKKXDHMEQGB-LURJTMIESA-N 1 2 245.229 1.011 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(F)cc1Cl ZINC001238016437 980126290 /nfs/dbraw/zinc/12/62/90/980126290.db2.gz BSTNMBUSCCHYHV-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(F)cc1Cl ZINC001238016437 980126296 /nfs/dbraw/zinc/12/62/96/980126296.db2.gz BSTNMBUSCCHYHV-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO CCOC1C[NH+](Cc2cc(O)ccc2C)C1 ZINC001238092208 980140430 /nfs/dbraw/zinc/14/04/30/980140430.db2.gz GRURRMRNDSFXRH-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CC[C@H]2C)c1 ZINC001238114069 980163272 /nfs/dbraw/zinc/16/32/72/980163272.db2.gz HIAGSVGLGVROTF-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CC[C@H]2C)c1 ZINC001238114069 980163275 /nfs/dbraw/zinc/16/32/75/980163275.db2.gz HIAGSVGLGVROTF-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(N)ccnc2F)CCCO1 ZINC001238153901 980176568 /nfs/dbraw/zinc/17/65/68/980176568.db2.gz QDUXUKJEDGFWDB-VIFPVBQESA-N 1 2 239.294 1.414 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(N)ccnc2F)CCCO1 ZINC001238153901 980176574 /nfs/dbraw/zinc/17/65/74/980176574.db2.gz QDUXUKJEDGFWDB-VIFPVBQESA-N 1 2 239.294 1.414 20 0 BDADLO O=C([O-])[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC001608551582 980230639 /nfs/dbraw/zinc/23/06/39/980230639.db2.gz XFOBUTNXJFDDKI-GFCCVEGCSA-N 1 2 249.314 1.172 20 0 BDADLO C[C@H](C(=O)NCCCCF)n1cc[nH+]c1 ZINC001343781583 980236173 /nfs/dbraw/zinc/23/61/73/980236173.db2.gz WSUJTPXEXULWFR-SECBINFHSA-N 1 2 213.256 1.310 20 0 BDADLO CC[N@H+](Cc1ncc(C)cc1C)C1COC1 ZINC001238433480 980261847 /nfs/dbraw/zinc/26/18/47/980261847.db2.gz PXJBUOQTRFMGKG-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CC[N@@H+](Cc1ncc(C)cc1C)C1COC1 ZINC001238433480 980261858 /nfs/dbraw/zinc/26/18/58/980261858.db2.gz PXJBUOQTRFMGKG-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cnc(C[N@@H+](C)CC(=O)N(C)C)c(C)c1 ZINC001238433786 980263027 /nfs/dbraw/zinc/26/30/27/980263027.db2.gz RUGNVTZWBXAFRJ-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1cnc(C[N@H+](C)CC(=O)N(C)C)c(C)c1 ZINC001238433786 980263031 /nfs/dbraw/zinc/26/30/31/980263031.db2.gz RUGNVTZWBXAFRJ-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO COc1cc(C[NH+]2CC=CC2)cnc1F ZINC001238452519 980265733 /nfs/dbraw/zinc/26/57/33/980265733.db2.gz MXOXCPDUZMXKSH-UHFFFAOYSA-N 1 2 208.236 1.601 20 0 BDADLO O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC001608802770 980285296 /nfs/dbraw/zinc/28/52/96/980285296.db2.gz XPJVYECKGZWONO-MNOVXSKESA-N 1 2 237.303 1.116 20 0 BDADLO C[C@@H](CCc1ccccc1)C(=O)NC1C[NH+](C)C1 ZINC001186025893 980312317 /nfs/dbraw/zinc/31/23/17/980312317.db2.gz WCDYVJKZYJSURP-LBPRGKRZSA-N 1 2 246.354 1.686 20 0 BDADLO CCOc1cc(C[N@@H+]2CC[C@@H](O)C2)c(F)cn1 ZINC001238730588 980318770 /nfs/dbraw/zinc/31/87/70/980318770.db2.gz WSFXWRIMUZTTAD-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO CCOc1cc(C[N@H+]2CC[C@@H](O)C2)c(F)cn1 ZINC001238730588 980318776 /nfs/dbraw/zinc/31/87/76/980318776.db2.gz WSFXWRIMUZTTAD-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)NCC1CC1 ZINC001186643651 980426113 /nfs/dbraw/zinc/42/61/13/980426113.db2.gz HGRZMVMNCYLNIW-UHFFFAOYSA-N 1 2 235.287 1.170 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cnoc2)cc1 ZINC001239189570 980494796 /nfs/dbraw/zinc/49/47/96/980494796.db2.gz XPYAYTCXUWXURP-LLVKDONJSA-N 1 2 232.239 1.514 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001188050987 980579750 /nfs/dbraw/zinc/57/97/50/980579750.db2.gz ZPHAGYWKTXETDJ-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345254106 980590485 /nfs/dbraw/zinc/59/04/85/980590485.db2.gz VSEGNENFBGYGIP-ZJUUUORDSA-N 1 2 222.288 1.817 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1cccnc1 ZINC001345490742 980620615 /nfs/dbraw/zinc/62/06/15/980620615.db2.gz GHMZNBMPXDVTPC-UHFFFAOYSA-N 1 2 230.271 1.386 20 0 BDADLO C=C=CCNC(=O)NCCCCn1cc[nH+]c1 ZINC001345576015 980636513 /nfs/dbraw/zinc/63/65/13/980636513.db2.gz KPZQNLUJDCJENX-UHFFFAOYSA-N 1 2 234.303 1.304 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1CC ZINC001345590336 980637538 /nfs/dbraw/zinc/63/75/38/980637538.db2.gz MUEQSKBYHCQALM-WDEREUQCSA-N 1 2 238.287 1.371 20 0 BDADLO Oc1ccc(CC[NH+]2CCOCC2)c(F)c1 ZINC001250276000 980645551 /nfs/dbraw/zinc/64/55/51/980645551.db2.gz UHLSOPDLUQRNET-UHFFFAOYSA-N 1 2 225.263 1.406 20 0 BDADLO Cc1ncc(CC[NH+]2CCOCC2)s1 ZINC001250277740 980650974 /nfs/dbraw/zinc/65/09/74/980650974.db2.gz MUSLRTSUMQOXLA-UHFFFAOYSA-N 1 2 212.318 1.326 20 0 BDADLO CN1CCOc2cc(Cc3ccncc3)c[nH+]c21 ZINC001250312382 980737993 /nfs/dbraw/zinc/73/79/93/980737993.db2.gz AGWXRLCYIPPSIJ-UHFFFAOYSA-N 1 2 241.294 1.896 20 0 BDADLO CC(C)(O)Cn1cc(CCn2cc[nH+]c2)cn1 ZINC001250316313 980748344 /nfs/dbraw/zinc/74/83/44/980748344.db2.gz IFOQLYHGDFODID-UHFFFAOYSA-N 1 2 234.303 1.093 20 0 BDADLO C=CC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001346098099 980756306 /nfs/dbraw/zinc/75/63/06/980756306.db2.gz ABTCKKNKVASRJJ-UHFFFAOYSA-N 1 2 241.294 1.852 20 0 BDADLO Cc1noc(C)c1[C@H](C)Nc1cc(N)nc[nH+]1 ZINC000156817270 980792554 /nfs/dbraw/zinc/79/25/54/980792554.db2.gz OOZGHRWQBUMKRS-LURJTMIESA-N 1 2 233.275 1.837 20 0 BDADLO CNc1cc(CNC(=O)NC2CC(C)C2)cc[nH+]1 ZINC001346319457 980808631 /nfs/dbraw/zinc/80/86/31/980808631.db2.gz SWZSZMAIKLDQFO-UHFFFAOYSA-N 1 2 248.330 1.721 20 0 BDADLO COc1ncc(-c2c[nH+]c(N)c(C)c2)cc1N ZINC001239641826 980826484 /nfs/dbraw/zinc/82/64/84/980826484.db2.gz CXLZDTIROMMUCK-UHFFFAOYSA-N 1 2 230.271 1.625 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCF ZINC001346748427 980898201 /nfs/dbraw/zinc/89/82/01/980898201.db2.gz VDJBWVLRQPIMMB-UHFFFAOYSA-N 1 2 200.213 1.306 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001346746876 980898345 /nfs/dbraw/zinc/89/83/45/980898345.db2.gz HGSWTJVHMKTQJO-URLYPYJESA-N 1 2 234.299 1.992 20 0 BDADLO NC(=O)c1ccccc1-c1ccc[nH+]c1N ZINC001239761250 980900182 /nfs/dbraw/zinc/90/01/82/980900182.db2.gz PEVPWUWKEHCWPJ-UHFFFAOYSA-N 1 2 213.240 1.430 20 0 BDADLO NC(=O)c1ccccc1-c1cc[nH+]c(N)c1 ZINC001239760827 980900227 /nfs/dbraw/zinc/90/02/27/980900227.db2.gz BXWRUOKBTPZYQC-UHFFFAOYSA-N 1 2 213.240 1.430 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001346823035 980916190 /nfs/dbraw/zinc/91/61/90/980916190.db2.gz LWCLVEWDUPVXLS-NWDGAFQWSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001346871795 980925243 /nfs/dbraw/zinc/92/52/43/980925243.db2.gz XENIBXRUOXFHBN-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO CNc1cc(Cc2cc(C)nn2C)cc[nH+]1 ZINC001250422148 981001640 /nfs/dbraw/zinc/00/16/40/981001640.db2.gz PMAVROVWBNEKML-UHFFFAOYSA-N 1 2 216.288 1.756 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCC[C@@H](F)C1 ZINC001347231725 981016548 /nfs/dbraw/zinc/01/65/48/981016548.db2.gz UCNIAHISUXXVSG-VHSXEESVSA-N 1 2 240.278 1.992 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001347231727 981018657 /nfs/dbraw/zinc/01/86/57/981018657.db2.gz UCNIAHISUXXVSG-ZJUUUORDSA-N 1 2 240.278 1.992 20 0 BDADLO C[C@@H](C(=O)N1CCCSC1)n1cc[nH+]c1 ZINC001347354106 981055020 /nfs/dbraw/zinc/05/50/20/981055020.db2.gz QCKNODUHZYJDBZ-VIFPVBQESA-N 1 2 225.317 1.367 20 0 BDADLO O=C(C[C@@H]1CCCOC1)N1CCn2c[nH+]cc2C1 ZINC001347526102 981107719 /nfs/dbraw/zinc/10/77/19/981107719.db2.gz GKNSCJCMVVILBC-NSHDSACASA-N 1 2 249.314 1.042 20 0 BDADLO Fc1nccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240217004 981153104 /nfs/dbraw/zinc/15/31/04/981153104.db2.gz WXJWQUYCCWCEPE-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO COc1cncc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213508 981161480 /nfs/dbraw/zinc/16/14/80/981161480.db2.gz BZFMYNZIICXXMR-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC2(CCO2)CC1 ZINC001347772449 981169586 /nfs/dbraw/zinc/16/95/86/981169586.db2.gz DVJIGLWYEIPLMO-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC2(CCO2)CC1 ZINC001347772449 981169588 /nfs/dbraw/zinc/16/95/88/981169588.db2.gz DVJIGLWYEIPLMO-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CNc1cc(CNC(=O)NC(C)C)cc[nH+]1 ZINC001348068979 981273232 /nfs/dbraw/zinc/27/32/32/981273232.db2.gz PWAQKJDVUPYTIC-UHFFFAOYSA-N 1 2 222.292 1.331 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](O)[C@@H](C)C2)[nH+]1 ZINC001348073344 981274144 /nfs/dbraw/zinc/27/41/44/981274144.db2.gz MFFFZORBDUGMSA-XVKPBYJWSA-N 1 2 210.252 1.346 20 0 BDADLO CC[C@H]([NH2+]CCOC1CCC1)c1noc(C)n1 ZINC001193248472 981276193 /nfs/dbraw/zinc/27/61/93/981276193.db2.gz DOABWVVCRDFOFK-NSHDSACASA-N 1 2 239.319 1.988 20 0 BDADLO CC[C@H](C[NH2+][C@@H](CC)c1noc(C)n1)OC ZINC001193238632 981279050 /nfs/dbraw/zinc/27/90/50/981279050.db2.gz JPPGGPGYRZSIBW-ZJUUUORDSA-N 1 2 227.308 1.844 20 0 BDADLO Cc1c[nH]c(C)c1C(=O)NCCc1cn(C)c[nH+]1 ZINC001193360085 981292809 /nfs/dbraw/zinc/29/28/09/981292809.db2.gz SUWAPRBQFPSQCK-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO CCc1ccc(NCC2([S@](C)=O)CC2)[nH+]c1 ZINC001348137382 981293828 /nfs/dbraw/zinc/29/38/28/981293828.db2.gz JWYCDAKUFXNJBD-INIZCTEOSA-N 1 2 238.356 1.967 20 0 BDADLO CCCCCNC(=O)N(CC)C1C[NH+](C)C1 ZINC001193317520 981301702 /nfs/dbraw/zinc/30/17/02/981301702.db2.gz PULNEORNXXSNEY-UHFFFAOYSA-N 1 2 227.352 1.522 20 0 BDADLO Cc1cc(F)cc(N2CN(C)C(=O)[C@@H]2C)[nH+]1 ZINC001348224101 981310044 /nfs/dbraw/zinc/31/00/44/981310044.db2.gz CIDYSWGPKCMOIN-QMMMGPOBSA-N 1 2 223.251 1.154 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001348399639 981355312 /nfs/dbraw/zinc/35/53/12/981355312.db2.gz JFFYHHWQTKTFHI-UMNHJUIQSA-N 1 2 237.303 1.128 20 0 BDADLO CCCCOC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001193722674 981414051 /nfs/dbraw/zinc/41/40/51/981414051.db2.gz VXIXMZPFEXTILL-LLVKDONJSA-N 1 2 244.335 1.233 20 0 BDADLO CCCCOC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001193722674 981414058 /nfs/dbraw/zinc/41/40/58/981414058.db2.gz VXIXMZPFEXTILL-LLVKDONJSA-N 1 2 244.335 1.233 20 0 BDADLO Fc1cncnc1-c1ccn2cc[nH+]c2c1 ZINC001240496175 981415704 /nfs/dbraw/zinc/41/57/04/981415704.db2.gz JNYGOQMQVXFDPO-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO Cn1c(=O)cccc1-c1ccn2cc[nH+]c2c1 ZINC001240510325 981433964 /nfs/dbraw/zinc/43/39/64/981433964.db2.gz HWUGLFGNGALSTM-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO CC(C)(COC(=O)[C@H]1CC1(F)F)n1cc[nH+]c1 ZINC001349021730 981499206 /nfs/dbraw/zinc/49/92/06/981499206.db2.gz MUDACZMXWIXQHU-MRVPVSSYSA-N 1 2 244.241 1.817 20 0 BDADLO C=C/C=C\CCNC(=O)CCc1[nH+]ccn1C ZINC001349157520 981515548 /nfs/dbraw/zinc/51/55/48/981515548.db2.gz MUBZEDTUXPUTAS-PLNGDYQASA-N 1 2 233.315 1.601 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CC1(C)CC1 ZINC001349277905 981526387 /nfs/dbraw/zinc/52/63/87/981526387.db2.gz NOAPFXQIFSQXCH-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO COC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001193942627 981527467 /nfs/dbraw/zinc/52/74/67/981527467.db2.gz LWWKSNVNKRWNLA-UHFFFAOYSA-N 1 2 245.282 1.787 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@@H]1F ZINC001349470814 981560248 /nfs/dbraw/zinc/56/02/48/981560248.db2.gz NDIGZNBVWIPVKN-MXWKQRLJSA-N 1 2 249.289 1.135 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)sn1 ZINC001349586542 981588264 /nfs/dbraw/zinc/58/82/64/981588264.db2.gz KTNXJNLREIDMFO-NSHDSACASA-N 1 2 240.328 1.517 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@]23CCOC3)sn1 ZINC001349586542 981588270 /nfs/dbraw/zinc/58/82/70/981588270.db2.gz KTNXJNLREIDMFO-NSHDSACASA-N 1 2 240.328 1.517 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791278 981742876 /nfs/dbraw/zinc/74/28/76/981742876.db2.gz GIMHVMFOZMHPSU-VXGBXAGGSA-N 1 2 248.326 1.874 20 0 BDADLO C[NH+]1CC(NC(=O)OCC(C)(C)C)C1 ZINC001194398970 981800498 /nfs/dbraw/zinc/80/04/98/981800498.db2.gz XOHPFJWPSXZUPG-UHFFFAOYSA-N 1 2 200.282 1.073 20 0 BDADLO Nc1[nH+]cccc1-c1cnn(C2COC2)c1 ZINC001240784125 981822552 /nfs/dbraw/zinc/82/25/52/981822552.db2.gz FHWZGOQZJJTHIW-UHFFFAOYSA-N 1 2 216.244 1.099 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/[C@H]2CCOC2)o1 ZINC001349986302 981837222 /nfs/dbraw/zinc/83/72/22/981837222.db2.gz MYQRAHHSQDYVJI-NWALNABHSA-N 1 2 223.276 1.181 20 0 BDADLO COCC1(Cc2nnc(C[NH+](C)C)o2)CC1 ZINC001349986307 981837899 /nfs/dbraw/zinc/83/78/99/981837899.db2.gz MZFUWMDJCSXZND-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1c(O)cccc1F ZINC001583971561 981845596 /nfs/dbraw/zinc/84/55/96/981845596.db2.gz HFONZXKWUIMVDN-UHFFFAOYSA-N 1 2 235.218 1.436 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1[nH]nc(C)c1C ZINC001350305613 981917530 /nfs/dbraw/zinc/91/75/30/981917530.db2.gz PFNQJYYTPMFTBH-UHFFFAOYSA-N 1 2 247.346 1.782 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1[nH]nc(C)c1C ZINC001350305613 981917537 /nfs/dbraw/zinc/91/75/37/981917537.db2.gz PFNQJYYTPMFTBH-UHFFFAOYSA-N 1 2 247.346 1.782 20 0 BDADLO Cc1cc(CNC(=O)C2=COCCO2)cc(C)[nH+]1 ZINC001585389975 981924277 /nfs/dbraw/zinc/92/42/77/981924277.db2.gz GPQVNJYRWIYFIE-UHFFFAOYSA-N 1 2 248.282 1.203 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccccc1O ZINC001585868881 981952585 /nfs/dbraw/zinc/95/25/85/981952585.db2.gz UTQPTXFTFHBLEN-JTQLQIEISA-N 1 2 243.266 1.464 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC001586984797 982040234 /nfs/dbraw/zinc/04/02/34/982040234.db2.gz UFMAWEAWEGIKDO-GFCCVEGCSA-N 1 2 248.330 1.326 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC001586984797 982040247 /nfs/dbraw/zinc/04/02/47/982040247.db2.gz UFMAWEAWEGIKDO-GFCCVEGCSA-N 1 2 248.330 1.326 20 0 BDADLO CC(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001350981880 982146489 /nfs/dbraw/zinc/14/64/89/982146489.db2.gz CQWAKZBEXWSTMJ-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO CCOC(=O)C1([NH2+]CCOC2CC2)CCCC1 ZINC001351150396 982219769 /nfs/dbraw/zinc/21/97/69/982219769.db2.gz BFWDPRAUVGEFPG-UHFFFAOYSA-N 1 2 241.331 1.631 20 0 BDADLO c1nocc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001205704385 982283669 /nfs/dbraw/zinc/28/36/69/982283669.db2.gz ZPUWAFMYRWJFGK-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO c1nocc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001205704385 982283678 /nfs/dbraw/zinc/28/36/78/982283678.db2.gz ZPUWAFMYRWJFGK-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO Nc1cc(-c2cnc3c(c2)CC(=O)N3)cc[nH+]1 ZINC001241162802 982300967 /nfs/dbraw/zinc/30/09/67/982300967.db2.gz MKJZGHDKAGCYQF-UHFFFAOYSA-N 1 2 226.239 1.220 20 0 BDADLO CCN(Cc1ccc(C)o1)C1C[NH+](C)C1 ZINC001203301317 982304491 /nfs/dbraw/zinc/30/44/91/982304491.db2.gz JKGUSIUAJNDOGY-UHFFFAOYSA-N 1 2 208.305 1.724 20 0 BDADLO Nc1cc(-c2cnc3c(c2)CCCN3)cc[nH+]1 ZINC001241176100 982328315 /nfs/dbraw/zinc/32/83/15/982328315.db2.gz VDVVRUQIPXDQGC-UHFFFAOYSA-N 1 2 226.283 1.727 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001351672958 982357316 /nfs/dbraw/zinc/35/73/16/982357316.db2.gz YATRGTXIOCUUGR-LOKLDPHHSA-N 1 2 239.319 1.658 20 0 BDADLO C[C@@H](C(=O)N1CC(=O)CC[C@H]1C)n1cc[nH+]c1 ZINC001351807772 982394785 /nfs/dbraw/zinc/39/47/85/982394785.db2.gz ZEZWRHKYADTDOL-ZJUUUORDSA-N 1 2 235.287 1.024 20 0 BDADLO CCc1cnccc1C(=O)N(CC)C1C[NH+](C)C1 ZINC001196139068 982399346 /nfs/dbraw/zinc/39/93/46/982399346.db2.gz KDNGCRZQKUOGLF-UHFFFAOYSA-N 1 2 247.342 1.420 20 0 BDADLO CCc1cc(NCC2(O)CCC2)nc(CC)[nH+]1 ZINC001351975768 982423715 /nfs/dbraw/zinc/42/37/15/982423715.db2.gz PWSNPWUVOLLVJK-UHFFFAOYSA-N 1 2 235.331 1.928 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCCC12CC2)n1cc[nH+]c1 ZINC001352011319 982435069 /nfs/dbraw/zinc/43/50/69/982435069.db2.gz WGOBZMBYOVPOGE-MNOVXSKESA-N 1 2 233.315 1.893 20 0 BDADLO CC(C)C1(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001352249862 982496310 /nfs/dbraw/zinc/49/63/10/982496310.db2.gz DINNRJIBYBSKSC-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC001352243133 982497108 /nfs/dbraw/zinc/49/71/08/982497108.db2.gz MLKOHYNYVADSBX-CABZTGNLSA-N 1 2 249.314 1.042 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@](C)(CC)OC)C1CC1 ZINC001352865242 982611242 /nfs/dbraw/zinc/61/12/42/982611242.db2.gz YNEUDLKNHVPWLC-AAEUAGOBSA-N 1 2 243.347 1.733 20 0 BDADLO CC1(C)CC[C@H](CN2CCn3c[nH+]cc3C2)OC1 ZINC001352889718 982627188 /nfs/dbraw/zinc/62/71/88/982627188.db2.gz MDKDJETYQSWKGP-CYBMUJFWSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cnc(N[C@H](C)Cn2cc[nH+]c2)o1 ZINC001353228448 982791130 /nfs/dbraw/zinc/79/11/30/982791130.db2.gz PNYKWZKFCAOWCU-MRVPVSSYSA-N 1 2 206.249 1.680 20 0 BDADLO Cn1cc2ccc(-c3c[nH+]cn3C)cc2n1 ZINC001241599256 982838489 /nfs/dbraw/zinc/83/84/89/982838489.db2.gz BEPNLXOUWFUTAX-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO Cn1cc2cc(-c3c[nH+]cn3C)ccc2n1 ZINC001241606676 982847309 /nfs/dbraw/zinc/84/73/09/982847309.db2.gz KOTNUJJQSDAPOS-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO Cc1ccnc(F)c1C(=O)NCCn1cc[nH+]c1 ZINC001199711840 982985543 /nfs/dbraw/zinc/98/55/43/982985543.db2.gz RATKEXNYTLTRMN-UHFFFAOYSA-N 1 2 248.261 1.156 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C1=CC=CC1 ZINC001199693813 982993106 /nfs/dbraw/zinc/99/31/06/982993106.db2.gz PRHUKNGVYFIXSH-UHFFFAOYSA-N 1 2 226.279 1.817 20 0 BDADLO CCCCNC(=S)Nc1cc[nH+]cc1C ZINC001200443869 982996363 /nfs/dbraw/zinc/99/63/63/982996363.db2.gz BBJAPXZWJSLBLO-UHFFFAOYSA-N 1 2 223.345 1.898 20 0 BDADLO CCOC[C@@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252016138 983074519 /nfs/dbraw/zinc/07/45/19/983074519.db2.gz VWTPLMKFNYIKHC-NSHDSACASA-N 1 2 249.314 1.452 20 0 BDADLO Nc1ccc(Nc2ccc3c(c2)NC(=O)C3)c[nH+]1 ZINC001201285555 983160787 /nfs/dbraw/zinc/16/07/87/983160787.db2.gz LGJUFTBHLHIHLA-UHFFFAOYSA-N 1 2 240.266 1.902 20 0 BDADLO Cc1nc2n(n1)CCN(c1cc(F)cc(C)[nH+]1)C2 ZINC001354119708 983162827 /nfs/dbraw/zinc/16/28/27/983162827.db2.gz DJMRNTONPZPEQI-UHFFFAOYSA-N 1 2 247.277 1.449 20 0 BDADLO COc1cccc(N)c1Nc1ccc(N)[nH+]c1 ZINC001201291382 983169439 /nfs/dbraw/zinc/16/94/39/983169439.db2.gz HIUIUTMUOKIPKJ-UHFFFAOYSA-N 1 2 230.271 1.998 20 0 BDADLO COC(=O)c1ccc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201271823 983171958 /nfs/dbraw/zinc/17/19/58/983171958.db2.gz DYZWCCLLNHPXEQ-UHFFFAOYSA-N 1 2 244.254 1.589 20 0 BDADLO COc1nccnc1Nc1ccc(N)[nH+]c1 ZINC001201275327 983175348 /nfs/dbraw/zinc/17/53/48/983175348.db2.gz ASJCLOGGOPZRKX-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO COc1cnc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201276764 983175982 /nfs/dbraw/zinc/17/59/82/983175982.db2.gz ZYXGUWWOSIRIJP-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO COc1ncccc1Nc1ccc(N)[nH+]c1 ZINC001201272950 983176051 /nfs/dbraw/zinc/17/60/51/983176051.db2.gz WYAJHUQHSQOJDQ-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO Nc1ccc(Nc2ncccc2CO)c[nH+]1 ZINC001201278118 983177495 /nfs/dbraw/zinc/17/74/95/983177495.db2.gz AMDRWMLDWDREDT-UHFFFAOYSA-N 1 2 216.244 1.295 20 0 BDADLO Nc1ccc(Nc2ccc(CO)nc2)c[nH+]1 ZINC001201278557 983178457 /nfs/dbraw/zinc/17/84/57/983178457.db2.gz KUIVJYMWBAJZEL-UHFFFAOYSA-N 1 2 216.244 1.295 20 0 BDADLO CC(C)N(c1ccc(N)[nH+]c1)c1ncc(N)cn1 ZINC001201278930 983178771 /nfs/dbraw/zinc/17/87/71/983178771.db2.gz JULDGDWIFPOAQT-UHFFFAOYSA-N 1 2 244.302 1.583 20 0 BDADLO NC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242014727 983210256 /nfs/dbraw/zinc/21/02/56/983210256.db2.gz SAJKPHHFPSNKDN-UHFFFAOYSA-N 1 2 202.217 1.567 20 0 BDADLO COc1cnc(-c2c[nH+]c(N)cc2C)nc1C ZINC001242067584 983294930 /nfs/dbraw/zinc/29/49/30/983294930.db2.gz DVYRVVYVXQMZIL-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO CCN(C)c1ccnc(-c2c[nH+]c(N)cc2C)n1 ZINC001242068910 983300342 /nfs/dbraw/zinc/30/03/42/983300342.db2.gz YQBLDHMMFURWCR-UHFFFAOYSA-N 1 2 243.314 1.885 20 0 BDADLO COc1ccc(-c2c[nH+]c(N)cc2C)nn1 ZINC001242070610 983303835 /nfs/dbraw/zinc/30/38/35/983303835.db2.gz FQPPMUYKQLUUCX-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2cc[nH]c21 ZINC001242070888 983304387 /nfs/dbraw/zinc/30/43/87/983304387.db2.gz OLHBVLDEZFZCJB-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cc1ccnnc1-c1c[nH+]c(N)cc1C ZINC001242071287 983305160 /nfs/dbraw/zinc/30/51/60/983305160.db2.gz YMEMRWUQDTWZOY-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO CCc1nccnc1-c1c[nH+]c(N)cc1C ZINC001242072251 983307021 /nfs/dbraw/zinc/30/70/21/983307021.db2.gz GGTXYKQZWZZLAY-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2cccnc2n1 ZINC001242072190 983307316 /nfs/dbraw/zinc/30/73/16/983307316.db2.gz DYWRXOSVAUXMTG-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO CCC(CC)([NH2+]C/C=C(\C)COC)C(=O)OC ZINC001354603453 983330103 /nfs/dbraw/zinc/33/01/03/983330103.db2.gz JRJVCDBEAHJKRG-DHZHZOJOSA-N 1 2 243.347 1.901 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc(N)cn1 ZINC001242090429 983333707 /nfs/dbraw/zinc/33/37/07/983333707.db2.gz SJOAUHZSWLBWSC-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO CC(C)NC(=S)NCc1c[nH+]cn1C(C)C ZINC001200792751 983369493 /nfs/dbraw/zinc/36/94/93/983369493.db2.gz LPXLDZRVAUEJCL-UHFFFAOYSA-N 1 2 240.376 1.837 20 0 BDADLO CSCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201679453 983391347 /nfs/dbraw/zinc/39/13/47/983391347.db2.gz BMRLRSXEWMKFRX-VIFPVBQESA-N 1 2 239.331 1.832 20 0 BDADLO CSCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201679453 983391353 /nfs/dbraw/zinc/39/13/53/983391353.db2.gz BMRLRSXEWMKFRX-VIFPVBQESA-N 1 2 239.331 1.832 20 0 BDADLO CCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001201648509 983401783 /nfs/dbraw/zinc/40/17/83/983401783.db2.gz ZLXVKEXPGIBURL-GFCCVEGCSA-N 1 2 206.289 1.865 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC/C=C/Cl ZINC001355311193 983465897 /nfs/dbraw/zinc/46/58/97/983465897.db2.gz CMORJFJXFOXLRG-GKQMSVHHSA-N 1 2 242.710 1.323 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC001201851099 983484980 /nfs/dbraw/zinc/48/49/80/983484980.db2.gz ROVFIUVPOLPTMQ-VIFPVBQESA-N 1 2 248.334 1.810 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2ccc(Cl)cc2)C1 ZINC001202378234 983646767 /nfs/dbraw/zinc/64/67/67/983646767.db2.gz FTIUOKIRLAYDTB-UHFFFAOYSA-N 1 2 239.706 1.776 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC001252108162 983666501 /nfs/dbraw/zinc/66/65/01/983666501.db2.gz LPLWOMJRJIAVPW-QWRGUYRKSA-N 1 2 229.320 1.079 20 0 BDADLO Cn1ccc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC001242457226 983762779 /nfs/dbraw/zinc/76/27/79/983762779.db2.gz VDBJHHHKPLMMNZ-UHFFFAOYSA-N 1 2 225.255 1.668 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccns1 ZINC001358397313 983862116 /nfs/dbraw/zinc/86/21/16/983862116.db2.gz FPEKGXJRNOEJCT-ZETCQYMHSA-N 1 2 234.284 1.214 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccns1 ZINC001358397306 983863170 /nfs/dbraw/zinc/86/31/70/983863170.db2.gz FPEKGXJRNOEJCT-SSDOTTSWSA-N 1 2 234.284 1.214 20 0 BDADLO C[NH2+]CC(=O)O[C@@H](C)c1cccc(C)c1 ZINC001573895436 984050988 /nfs/dbraw/zinc/05/09/88/984050988.db2.gz LBYCLDREDBGSBP-JTQLQIEISA-N 1 2 207.273 1.819 20 0 BDADLO O=C1C[N@@H+](CCC2CCOCC2)CCC[C@@H]1F ZINC001202611341 984125872 /nfs/dbraw/zinc/12/58/72/984125872.db2.gz QCQDFZUNWKDLIB-LBPRGKRZSA-N 1 2 243.322 1.806 20 0 BDADLO O=C1C[N@H+](CCC2CCOCC2)CCC[C@@H]1F ZINC001202611341 984125876 /nfs/dbraw/zinc/12/58/76/984125876.db2.gz QCQDFZUNWKDLIB-LBPRGKRZSA-N 1 2 243.322 1.806 20 0 BDADLO OC[C@@H]1C[N@H+](CC2CCC2)CC(F)(F)C1 ZINC001202705184 984158600 /nfs/dbraw/zinc/15/86/00/984158600.db2.gz FWHCFGMTYXZDFR-JTQLQIEISA-N 1 2 219.275 1.736 20 0 BDADLO OC[C@@H]1C[N@@H+](CC2CCC2)CC(F)(F)C1 ZINC001202705184 984158614 /nfs/dbraw/zinc/15/86/14/984158614.db2.gz FWHCFGMTYXZDFR-JTQLQIEISA-N 1 2 219.275 1.736 20 0 BDADLO CCCCC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC001253549747 984202712 /nfs/dbraw/zinc/20/27/12/984202712.db2.gz DKGQCVGYNWHRKG-RYUDHWBXSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000389344778 984330431 /nfs/dbraw/zinc/33/04/31/984330431.db2.gz TYEZLUTWZWMREL-RQJHMYQMSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000389344778 984330438 /nfs/dbraw/zinc/33/04/38/984330438.db2.gz TYEZLUTWZWMREL-RQJHMYQMSA-N 1 2 225.210 1.432 20 0 BDADLO CC/C=C(/C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001436620167 984334175 /nfs/dbraw/zinc/33/41/75/984334175.db2.gz UBBNBEZPNYSINT-YHYXMXQVSA-N 1 2 221.304 1.435 20 0 BDADLO CCc1cc(NC(=O)CCCn2cc[nH+]c2)no1 ZINC001440289103 984399766 /nfs/dbraw/zinc/39/97/66/984399766.db2.gz PGAAEWYMPLIXFH-UHFFFAOYSA-N 1 2 248.286 1.852 20 0 BDADLO C[C@@H](C[NH+]1CC2(CCN2C)C1)C(F)(F)F ZINC001274900563 984401101 /nfs/dbraw/zinc/40/11/01/984401101.db2.gz ZXQXCWRAZGFNFY-QMMMGPOBSA-N 1 2 222.254 1.575 20 0 BDADLO NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001440445697 984416405 /nfs/dbraw/zinc/41/64/05/984416405.db2.gz QXXURSHUHTUCCC-AOOOYVTPSA-N 1 2 219.288 1.538 20 0 BDADLO C=C/C=C/CC(=O)NCCCn1cc[nH+]c1 ZINC001440487840 984426532 /nfs/dbraw/zinc/42/65/32/984426532.db2.gz IGTMAMASDKYVMI-ONEGZZNKSA-N 1 2 219.288 1.522 20 0 BDADLO Cc1nnc(NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001441974353 984487209 /nfs/dbraw/zinc/48/72/09/984487209.db2.gz BZZIMTRMSBHCST-UHFFFAOYSA-N 1 2 237.288 1.059 20 0 BDADLO CCNC(=O)c1ccccc1-c1c[nH+]cn1C ZINC001243069603 984488956 /nfs/dbraw/zinc/48/89/56/984488956.db2.gz UUGRFHCAWSSKJH-UHFFFAOYSA-N 1 2 229.283 1.837 20 0 BDADLO CCOC(=O)Cc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243068857 984489331 /nfs/dbraw/zinc/48/93/31/984489331.db2.gz IXJQNWGOMKORQN-UHFFFAOYSA-N 1 2 245.282 1.588 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1NC(=O)NC2 ZINC001243069268 984489394 /nfs/dbraw/zinc/48/93/94/984489394.db2.gz DPVFOQUCPOCJBY-UHFFFAOYSA-N 1 2 228.255 1.722 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1C(=O)NCC2 ZINC001243070293 984492531 /nfs/dbraw/zinc/49/25/31/984492531.db2.gz QSQBTEGQMHZLSI-UHFFFAOYSA-N 1 2 227.267 1.373 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CCN(C)C2=O ZINC001243070803 984493173 /nfs/dbraw/zinc/49/31/73/984493173.db2.gz YSJFXKSGQIPDEC-UHFFFAOYSA-N 1 2 241.294 1.715 20 0 BDADLO COC(=O)COc1ccc(-c2c[nH+]cn2C)cc1 ZINC001243071280 984498635 /nfs/dbraw/zinc/49/86/35/984498635.db2.gz PZRWWVUKOMNWQC-UHFFFAOYSA-N 1 2 246.266 1.639 20 0 BDADLO Cn1c[nH+]cc1-c1cc2cc[nH]c2c(C(N)=O)c1 ZINC001243070901 984500780 /nfs/dbraw/zinc/50/07/80/984500780.db2.gz BAGXXKZHPNSMTP-UHFFFAOYSA-N 1 2 240.266 1.667 20 0 BDADLO CCC(=O)Nc1cc(-c2c[nH+]cn2C)ccn1 ZINC001243071890 984505466 /nfs/dbraw/zinc/50/54/66/984505466.db2.gz ICNDMZVBLXOFFK-UHFFFAOYSA-N 1 2 230.271 1.831 20 0 BDADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(C)c1O ZINC001445774323 984613707 /nfs/dbraw/zinc/61/37/07/984613707.db2.gz AQXOJKYYQJIGGO-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO Cc1nc(N2CC[C@H]3[C@@H](C2)C3(F)F)cc[nH+]1 ZINC001458435198 984844811 /nfs/dbraw/zinc/84/48/11/984844811.db2.gz XYZRLGFVNDELAZ-DTWKUNHWSA-N 1 2 225.242 1.876 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(CO)cc1 ZINC001452442227 984930234 /nfs/dbraw/zinc/93/02/34/984930234.db2.gz UIPBXMOEGCHDDZ-LBPRGKRZSA-N 1 2 234.299 1.212 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(CO)cc1 ZINC001452442227 984930258 /nfs/dbraw/zinc/93/02/58/984930258.db2.gz UIPBXMOEGCHDDZ-LBPRGKRZSA-N 1 2 234.299 1.212 20 0 BDADLO OCc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001243464889 984987945 /nfs/dbraw/zinc/98/79/45/984987945.db2.gz DOFNWIHUNGLDKY-UHFFFAOYSA-N 1 2 225.251 1.889 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001589004997 984988820 /nfs/dbraw/zinc/98/88/20/984988820.db2.gz WYLDQCLURQPIOZ-GRYCIOLGSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001589004997 984988835 /nfs/dbraw/zinc/98/88/35/984988835.db2.gz WYLDQCLURQPIOZ-GRYCIOLGSA-N 1 2 240.347 1.456 20 0 BDADLO OCc1ccc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001243469366 985005657 /nfs/dbraw/zinc/00/56/57/985005657.db2.gz JMHIDZNMBKIQDG-UHFFFAOYSA-N 1 2 227.267 1.604 20 0 BDADLO CCOC(=O)c1ncccc1-c1ccc[nH+]c1N ZINC001243473582 985026533 /nfs/dbraw/zinc/02/65/33/985026533.db2.gz NFNHFXKSMCQSII-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO CCOC(=O)c1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243475876 985031694 /nfs/dbraw/zinc/03/16/94/985031694.db2.gz LOXPWBHIAQURCO-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO CNC(=O)c1ncc(-c2ccc[nH+]c2N)cc1C ZINC001243477049 985034099 /nfs/dbraw/zinc/03/40/99/985034099.db2.gz IEYAGUVRRMXBJO-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnn(C)c1C1CC1 ZINC001454521570 985039859 /nfs/dbraw/zinc/03/98/59/985039859.db2.gz GJZISLQMRAKPCO-LLVKDONJSA-N 1 2 248.330 1.330 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnn(C)c1C1CC1 ZINC001454521570 985039870 /nfs/dbraw/zinc/03/98/70/985039870.db2.gz GJZISLQMRAKPCO-LLVKDONJSA-N 1 2 248.330 1.330 20 0 BDADLO NC(=S)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243477981 985045246 /nfs/dbraw/zinc/04/52/46/985045246.db2.gz VMWHSADPFNBFGX-UHFFFAOYSA-N 1 2 229.308 1.965 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ocnc2C)c[nH+]1 ZINC001456141612 985119717 /nfs/dbraw/zinc/11/97/17/985119717.db2.gz JBCXTZFVDQRBIF-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ocnc2C)[nH+]1 ZINC001456141612 985119721 /nfs/dbraw/zinc/11/97/21/985119721.db2.gz JBCXTZFVDQRBIF-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc[nH]1 ZINC001456254786 985127196 /nfs/dbraw/zinc/12/71/96/985127196.db2.gz YSBGZJIXYMLENG-UHFFFAOYSA-N 1 2 244.298 1.547 20 0 BDADLO COC(CC[N@H+](C)Cc1nnc(C)s1)OC ZINC000686613200 985167754 /nfs/dbraw/zinc/16/77/54/985167754.db2.gz YMMTYQRVNPQTDV-UHFFFAOYSA-N 1 2 245.348 1.287 20 0 BDADLO COC(CC[N@@H+](C)Cc1nnc(C)s1)OC ZINC000686613200 985167769 /nfs/dbraw/zinc/16/77/69/985167769.db2.gz YMMTYQRVNPQTDV-UHFFFAOYSA-N 1 2 245.348 1.287 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC001589445745 985189874 /nfs/dbraw/zinc/18/98/74/985189874.db2.gz WEOGJWQCLCICBC-UWVGGRQHSA-N 1 2 237.303 1.073 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC001589445745 985189892 /nfs/dbraw/zinc/18/98/92/985189892.db2.gz WEOGJWQCLCICBC-UWVGGRQHSA-N 1 2 237.303 1.073 20 0 BDADLO CCc1cn(Cc2cc(C(C)=O)no2)c[nH+]1 ZINC001459261719 985423073 /nfs/dbraw/zinc/42/30/73/985423073.db2.gz NVYIEFIXCVCSJM-UHFFFAOYSA-N 1 2 219.244 1.684 20 0 BDADLO C[C@H](Cc1ccco1)[N@@H+]1CCn2nncc2C1 ZINC001258194154 985587411 /nfs/dbraw/zinc/58/74/11/985587411.db2.gz BWSZZYFURITXBW-SNVBAGLBSA-N 1 2 232.287 1.318 20 0 BDADLO C[C@H](Cc1ccco1)[N@H+]1CCn2nncc2C1 ZINC001258194154 985587425 /nfs/dbraw/zinc/58/74/25/985587425.db2.gz BWSZZYFURITXBW-SNVBAGLBSA-N 1 2 232.287 1.318 20 0 BDADLO c1nc2c(c(C3=C[NH2+]CCC3)n1)COCC2 ZINC001243947192 985620169 /nfs/dbraw/zinc/62/01/69/985620169.db2.gz FFBXIFJDRJMIPU-UHFFFAOYSA-N 1 2 217.272 1.274 20 0 BDADLO COC(=O)c1cnc(C2=C[NH2+]CCC2)c(C)c1 ZINC001243947631 985621948 /nfs/dbraw/zinc/62/19/48/985621948.db2.gz NGCPDCUTFWZPIM-UHFFFAOYSA-N 1 2 232.283 1.901 20 0 BDADLO C[C@@H]1CC(=O)Nc2ncnc(C3=C[NH2+]CCC3)c21 ZINC001243947499 985622413 /nfs/dbraw/zinc/62/24/13/985622413.db2.gz KEBOIPDZTVBMDX-MRVPVSSYSA-N 1 2 244.298 1.647 20 0 BDADLO COC(=O)c1cc(OC)cc(C2=C[NH2+]CCC2)n1 ZINC001243948047 985627257 /nfs/dbraw/zinc/62/72/57/985627257.db2.gz UFAOTFCZNXMGMI-UHFFFAOYSA-N 1 2 248.282 1.601 20 0 BDADLO c1cc2ncc(C3=C[NH2+]CCC3)nc2[nH]1 ZINC001243947890 985627863 /nfs/dbraw/zinc/62/78/63/985627863.db2.gz RFKRHGPQPPDTIA-UHFFFAOYSA-N 1 2 200.245 1.682 20 0 BDADLO c1cc(N2CCOCC2)cc(C2=CNCCC2)[nH+]1 ZINC001243950162 985643072 /nfs/dbraw/zinc/64/30/72/985643072.db2.gz WQSKTABFDZAUSW-UHFFFAOYSA-N 1 2 245.326 1.643 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC001459871630 985646177 /nfs/dbraw/zinc/64/61/77/985646177.db2.gz DUJZEWYRBZDPIT-UTLUCORTSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC001459871630 985646186 /nfs/dbraw/zinc/64/61/86/985646186.db2.gz DUJZEWYRBZDPIT-UTLUCORTSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1nnc(C[N@@H+]2Cc3c[nH]nc3C[C@H](C)C2)[nH]1 ZINC001460781757 985897360 /nfs/dbraw/zinc/89/73/60/985897360.db2.gz YQJYTIKFIWUMGO-QMMMGPOBSA-N 1 2 246.318 1.031 20 0 BDADLO Cc1nnc(C[N@H+]2Cc3c[nH]nc3C[C@H](C)C2)[nH]1 ZINC001460781757 985897376 /nfs/dbraw/zinc/89/73/76/985897376.db2.gz YQJYTIKFIWUMGO-QMMMGPOBSA-N 1 2 246.318 1.031 20 0 BDADLO CC(=O)N[C@@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001114825278 986008926 /nfs/dbraw/zinc/00/89/26/986008926.db2.gz HJZINMRQEVCHTJ-VIFPVBQESA-N 1 2 236.319 1.502 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCn3ccnc32)cn1 ZINC001461519744 986075736 /nfs/dbraw/zinc/07/57/36/986075736.db2.gz HEWMJBJTOJJVMA-LLVKDONJSA-N 1 2 229.287 1.216 20 0 BDADLO CCCn1c[nH+]cc1CNc1nncn1C ZINC001461571408 986087350 /nfs/dbraw/zinc/08/73/50/986087350.db2.gz MPHWIHOMIUSXAQ-UHFFFAOYSA-N 1 2 220.280 1.034 20 0 BDADLO CC1(C)OCC([NH2+]Cc2ncccc2F)CO1 ZINC001462065675 986275472 /nfs/dbraw/zinc/27/54/72/986275472.db2.gz QABLTXRFJSSDBV-UHFFFAOYSA-N 1 2 240.278 1.462 20 0 BDADLO CCONC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001463894413 986589325 /nfs/dbraw/zinc/58/93/25/986589325.db2.gz MOGPPMYMTOCEJF-UHFFFAOYSA-N 1 2 247.254 1.259 20 0 BDADLO O=Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)s1 ZINC001465205024 986703581 /nfs/dbraw/zinc/70/35/81/986703581.db2.gz JZYZYSNWYFSPLQ-UHFFFAOYSA-N 1 2 249.295 1.256 20 0 BDADLO Cc1c[nH+]ccc1NC(=S)NCC(C)C ZINC001245202477 986725673 /nfs/dbraw/zinc/72/56/73/986725673.db2.gz DVAHOBCUQWAXNL-UHFFFAOYSA-N 1 2 223.345 1.754 20 0 BDADLO O=S1(=O)CC=C(c2nc3[nH]ccc3c[nH+]2)CC1 ZINC001245206954 986725873 /nfs/dbraw/zinc/72/58/73/986725873.db2.gz HMWPOPGLIOLLKI-UHFFFAOYSA-N 1 2 249.295 1.111 20 0 BDADLO Cn1ccc(-c2ccc(-c3c[nH+]cn3C)cn2)n1 ZINC001245203435 986725990 /nfs/dbraw/zinc/72/59/90/986725990.db2.gz BXORDVKBTCKFFG-UHFFFAOYSA-N 1 2 239.282 1.883 20 0 BDADLO Cc1ccc2[nH+]cc(CN3C[C@H]4C[C@@H](C3)O4)n2c1 ZINC001137310051 986743971 /nfs/dbraw/zinc/74/39/71/986743971.db2.gz FZAHGRHFKZWTRZ-BETUJISGSA-N 1 2 243.310 1.616 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2[nH]c(C)cc2C)C[C@@H]1F ZINC001137322736 986775412 /nfs/dbraw/zinc/77/54/12/986775412.db2.gz ORBZXWBXVBAJBE-CMPLNLGQSA-N 1 2 226.295 1.800 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2[nH]c(C)cc2C)C[C@@H]1F ZINC001137322736 986775423 /nfs/dbraw/zinc/77/54/23/986775423.db2.gz ORBZXWBXVBAJBE-CMPLNLGQSA-N 1 2 226.295 1.800 20 0 BDADLO Cc1cc(C)c(C[NH+]2CC(N3CCOCC3)C2)[nH]1 ZINC001137328037 986778799 /nfs/dbraw/zinc/77/87/99/986778799.db2.gz PMZWTELHRUDUIO-UHFFFAOYSA-N 1 2 249.358 1.148 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCc3c(ncn3C)C2)[nH]1 ZINC001137331118 986789033 /nfs/dbraw/zinc/78/90/33/986789033.db2.gz PZUVVLOARBWESG-UHFFFAOYSA-N 1 2 244.342 1.923 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCc3c(ncn3C)C2)[nH]1 ZINC001137331118 986789050 /nfs/dbraw/zinc/78/90/50/986789050.db2.gz PZUVVLOARBWESG-UHFFFAOYSA-N 1 2 244.342 1.923 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCn3nccc3C2)[nH]1 ZINC001137332544 986798282 /nfs/dbraw/zinc/79/82/82/986798282.db2.gz YITCPKYUSLBBTL-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCn3nccc3C2)[nH]1 ZINC001137332544 986798292 /nfs/dbraw/zinc/79/82/92/986798292.db2.gz YITCPKYUSLBBTL-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO CC[C@H](CSC)NC(=O)[C@@H]1CC[N@H+]1CC ZINC001466522058 986808367 /nfs/dbraw/zinc/80/83/67/986808367.db2.gz DWRKSILGABEACI-ZJUUUORDSA-N 1 2 230.377 1.338 20 0 BDADLO CC[C@H](CSC)NC(=O)[C@@H]1CC[N@@H+]1CC ZINC001466522058 986808364 /nfs/dbraw/zinc/80/83/64/986808364.db2.gz DWRKSILGABEACI-ZJUUUORDSA-N 1 2 230.377 1.338 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC12CC2 ZINC001467293677 986843314 /nfs/dbraw/zinc/84/33/14/986843314.db2.gz YVDMKMVVPSXGQL-VHSXEESVSA-N 1 2 231.299 1.114 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC001467290901 986844102 /nfs/dbraw/zinc/84/41/02/986844102.db2.gz LNMSVUGUMBAUFH-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO COc1cc(-c2cccc(N)[nH+]2)ccc1N ZINC001245499162 986878545 /nfs/dbraw/zinc/87/85/45/986878545.db2.gz HOZXZKAEJQCQPE-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO N#CN1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137407462 986884433 /nfs/dbraw/zinc/88/44/33/986884433.db2.gz PCMZQDCBFQWICF-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+]([C@H]2CCSC2)CCO1 ZINC001255291684 986892881 /nfs/dbraw/zinc/89/28/81/986892881.db2.gz XQTMJJQFMYCWFM-YUMQZZPRSA-N 1 2 241.278 1.755 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+]([C@H]2CCSC2)CCO1 ZINC001255291684 986892883 /nfs/dbraw/zinc/89/28/83/986892883.db2.gz XQTMJJQFMYCWFM-YUMQZZPRSA-N 1 2 241.278 1.755 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+]([C@H]2CCSC2)CCO1 ZINC001255291678 986894411 /nfs/dbraw/zinc/89/44/11/986894411.db2.gz XQTMJJQFMYCWFM-JGVFFNPUSA-N 1 2 241.278 1.755 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+]([C@H]2CCSC2)CCO1 ZINC001255291678 986894415 /nfs/dbraw/zinc/89/44/15/986894415.db2.gz XQTMJJQFMYCWFM-JGVFFNPUSA-N 1 2 241.278 1.755 20 0 BDADLO CCC1(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001468282004 986897434 /nfs/dbraw/zinc/89/74/34/986897434.db2.gz CUHOHIRCJKKTFP-UHFFFAOYSA-N 1 2 207.277 1.319 20 0 BDADLO CCCC[C@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001255310056 986903120 /nfs/dbraw/zinc/90/31/20/986903120.db2.gz OUFQBXLRANFZBG-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO COc1nccc(-c2c[nH+]c(N)c(C)c2)c1N ZINC001245535875 986914089 /nfs/dbraw/zinc/91/40/89/986914089.db2.gz CYNOBFBWSQNLON-UHFFFAOYSA-N 1 2 230.271 1.625 20 0 BDADLO Cc1ccnc(-c2c[nH+]c(N)c(C)c2)c1C(N)=O ZINC001245536364 986914501 /nfs/dbraw/zinc/91/45/01/986914501.db2.gz PDJWTKPXEDDPHC-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO COC(=O)c1ccncc1-c1c[nH+]c(N)c(C)c1 ZINC001245538087 986918712 /nfs/dbraw/zinc/91/87/12/986918712.db2.gz WHKMAHPYSGEGCB-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1cc(-c2cncc3nccnc32)c[nH+]c1N ZINC001245539583 986924214 /nfs/dbraw/zinc/92/42/14/986924214.db2.gz WATBJCWLTFPALU-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cc1cc(-c2cnc(C(N)=O)c(C)c2)c[nH+]c1N ZINC001245540718 986925214 /nfs/dbraw/zinc/92/52/14/986925214.db2.gz FWSTUFKUKSTYIN-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO CCn1cc(-c2c[nH+]c(N)c(C)c2)ncc1=O ZINC001245540871 986929891 /nfs/dbraw/zinc/92/98/91/986929891.db2.gz YYYPFFLUYZFOIH-UHFFFAOYSA-N 1 2 230.271 1.216 20 0 BDADLO C[C@H](NC(=S)NC1C[NH+](C)C1)c1ccccc1 ZINC001245543659 986931733 /nfs/dbraw/zinc/93/17/33/986931733.db2.gz YPMYANVMOTUFJX-JTQLQIEISA-N 1 2 249.383 1.526 20 0 BDADLO Cc1cc(CNC(=O)c2ccnnc2)cc(C)[nH+]1 ZINC001469143484 986971884 /nfs/dbraw/zinc/97/18/84/986971884.db2.gz WNUMZTHQRVWVLC-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO CC[N@H+](C)Cc1nnc([C@H]2CCOC2)o1 ZINC001255548089 987006634 /nfs/dbraw/zinc/00/66/34/987006634.db2.gz HSCIJHOGMCUYFA-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO CC[N@@H+](C)Cc1nnc([C@H]2CCOC2)o1 ZINC001255548089 987006643 /nfs/dbraw/zinc/00/66/43/987006643.db2.gz HSCIJHOGMCUYFA-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001255578144 987024840 /nfs/dbraw/zinc/02/48/40/987024840.db2.gz DZWFIUYDALKDPY-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H](C)[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001255578144 987024849 /nfs/dbraw/zinc/02/48/49/987024849.db2.gz DZWFIUYDALKDPY-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001255647382 987041815 /nfs/dbraw/zinc/04/18/15/987041815.db2.gz UJDRPXSJSGCKEY-XLPZGREQSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001255647382 987041829 /nfs/dbraw/zinc/04/18/29/987041829.db2.gz UJDRPXSJSGCKEY-XLPZGREQSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccsn2)C1 ZINC001471452688 987090134 /nfs/dbraw/zinc/09/01/34/987090134.db2.gz CWRDLOBBCCRFPC-QMMMGPOBSA-N 1 2 225.317 1.423 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccsn2)C1 ZINC001471452688 987090147 /nfs/dbraw/zinc/09/01/47/987090147.db2.gz CWRDLOBBCCRFPC-QMMMGPOBSA-N 1 2 225.317 1.423 20 0 BDADLO CCc1[nH]c(CNC(=O)C=C2CCC2)c[nH+]1 ZINC001472018372 987157522 /nfs/dbraw/zinc/15/75/22/987157522.db2.gz CQVHXCYPNSTXDY-UHFFFAOYSA-N 1 2 219.288 1.699 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C2CCC2)[nH+]1 ZINC001472018372 987157527 /nfs/dbraw/zinc/15/75/27/987157527.db2.gz CQVHXCYPNSTXDY-UHFFFAOYSA-N 1 2 219.288 1.699 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C/[C@H]2CCOC2)c[nH+]1 ZINC001472020053 987158649 /nfs/dbraw/zinc/15/86/49/987158649.db2.gz ARLWHVKXOUASDU-FSIBCCDJSA-N 1 2 249.314 1.181 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C[C@H]2CCOC2)[nH+]1 ZINC001472020053 987158662 /nfs/dbraw/zinc/15/86/62/987158662.db2.gz ARLWHVKXOUASDU-FSIBCCDJSA-N 1 2 249.314 1.181 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H](C)n2cccc2)c[nH+]1 ZINC001472019042 987160052 /nfs/dbraw/zinc/16/00/52/987160052.db2.gz RUDSKWDLGXUYMA-JTQLQIEISA-N 1 2 246.314 1.651 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H](C)n2cccc2)[nH+]1 ZINC001472019042 987160063 /nfs/dbraw/zinc/16/00/63/987160063.db2.gz RUDSKWDLGXUYMA-JTQLQIEISA-N 1 2 246.314 1.651 20 0 BDADLO CCO[C@@H](CC)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001472018629 987162666 /nfs/dbraw/zinc/16/26/66/987162666.db2.gz JFAXYMRAFGBRPW-JTQLQIEISA-N 1 2 239.319 1.403 20 0 BDADLO CCO[C@@H](CC)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001472018629 987162695 /nfs/dbraw/zinc/16/26/95/987162695.db2.gz JFAXYMRAFGBRPW-JTQLQIEISA-N 1 2 239.319 1.403 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H](C)n2cccn2)c[nH+]1 ZINC001472019300 987163420 /nfs/dbraw/zinc/16/34/20/987163420.db2.gz YESHUIGASYJXNI-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H](C)n2cccn2)[nH+]1 ZINC001472019300 987163423 /nfs/dbraw/zinc/16/34/23/987163423.db2.gz YESHUIGASYJXNI-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@@H](C)SC)c[nH+]1 ZINC001472019067 987163782 /nfs/dbraw/zinc/16/37/82/987163782.db2.gz SGFOPPCJDOUMNC-MRVPVSSYSA-N 1 2 241.360 1.730 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@@H](C)SC)[nH+]1 ZINC001472019067 987163793 /nfs/dbraw/zinc/16/37/93/987163793.db2.gz SGFOPPCJDOUMNC-MRVPVSSYSA-N 1 2 241.360 1.730 20 0 BDADLO CCC[C@@](C)([NH2+]Cc1c[nH+]c(C)n1C)C(=O)[O-] ZINC000689734615 987167640 /nfs/dbraw/zinc/16/76/40/987167640.db2.gz PQRWFPXKFHHUON-GFCCVEGCSA-N 1 2 239.319 1.462 20 0 BDADLO C[C@@H](Cn1[nH]c(C[NH3+])cc1=O)c1ccccc1 ZINC001245925677 987171591 /nfs/dbraw/zinc/17/15/91/987171591.db2.gz ZQDCBJZRIDJFDH-JTQLQIEISA-N 1 2 231.299 1.851 20 0 BDADLO CC(=O)N[C@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103474957 987246944 /nfs/dbraw/zinc/24/69/44/987246944.db2.gz WGBBAEBEKTUERW-CYBMUJFWSA-N 1 2 248.330 1.502 20 0 BDADLO CCc1cn(CC(=O)c2nn(CC)nc2C)c[nH+]1 ZINC001473086940 987329310 /nfs/dbraw/zinc/32/93/10/987329310.db2.gz DYKYXEQAQSZBQX-UHFFFAOYSA-N 1 2 247.302 1.248 20 0 BDADLO CC[C@H]([NH2+]C[C@H](COC)OC)c1noc(C)n1 ZINC001473367752 987406969 /nfs/dbraw/zinc/40/69/69/987406969.db2.gz BHVLYTHNXUFJSB-ZJUUUORDSA-N 1 2 243.307 1.080 20 0 BDADLO COc1cccnc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001115955489 987419938 /nfs/dbraw/zinc/41/99/38/987419938.db2.gz OVTFAHORQJGTMY-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO C[C@H](C(=O)N1CCSC[C@@H]1C)n1cc[nH+]c1 ZINC001116105066 987448781 /nfs/dbraw/zinc/44/87/81/987448781.db2.gz CXGUBLBHABPQDF-VHSXEESVSA-N 1 2 239.344 1.408 20 0 BDADLO Cn1c[nH+]cc1CSc1cccc[n+]1[O-] ZINC001116227743 987489262 /nfs/dbraw/zinc/48/92/62/987489262.db2.gz RTBBDUJODBKGFF-UHFFFAOYSA-N 1 2 221.285 1.346 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(C)n1C)c1cnn(C)c1 ZINC001116294820 987512581 /nfs/dbraw/zinc/51/25/81/987512581.db2.gz UGZQEEQIEHFLNG-NSHDSACASA-N 1 2 248.334 1.098 20 0 BDADLO Cn1cc2cccc(CN[C@@H]3CCC[NH2+]C3)c2n1 ZINC001246217661 987617019 /nfs/dbraw/zinc/61/70/19/987617019.db2.gz LSJPDYSRJIGRLU-CYBMUJFWSA-N 1 2 244.342 1.415 20 0 BDADLO CCn1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC001474097855 987644183 /nfs/dbraw/zinc/64/41/83/987644183.db2.gz ZIQGGGNSYCBQET-VIFPVBQESA-N 1 2 219.292 1.477 20 0 BDADLO CCOCC[N@H+](C)Cc1ccn(CC)n1 ZINC001474435007 987722203 /nfs/dbraw/zinc/72/22/03/987722203.db2.gz PWTNALLQHMEROY-UHFFFAOYSA-N 1 2 211.309 1.371 20 0 BDADLO CCOCC[N@@H+](C)Cc1ccn(CC)n1 ZINC001474435007 987722207 /nfs/dbraw/zinc/72/22/07/987722207.db2.gz PWTNALLQHMEROY-UHFFFAOYSA-N 1 2 211.309 1.371 20 0 BDADLO CNc1ccc(Nc2cc(C)nc(CO)n2)c[nH+]1 ZINC001116850770 987733205 /nfs/dbraw/zinc/73/32/05/987733205.db2.gz YYZOSHCRPFNRIT-UHFFFAOYSA-N 1 2 245.286 1.458 20 0 BDADLO C[C@@H](C(=O)NCCCC(F)(F)F)n1cc[nH+]c1 ZINC001116925352 987762462 /nfs/dbraw/zinc/76/24/62/987762462.db2.gz OOQXXYIXWFHZJI-QMMMGPOBSA-N 1 2 249.236 1.903 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/c2cccnc2)o1 ZINC001117260685 987813425 /nfs/dbraw/zinc/81/34/25/987813425.db2.gz RBPLMVQYSLAVCB-AATRIKPKSA-N 1 2 230.271 1.697 20 0 BDADLO C[C@@H]1CC[C@@H](CCc2nnc(C[NH+](C)C)o2)O1 ZINC001117260546 987814066 /nfs/dbraw/zinc/81/40/66/987814066.db2.gz LYRWPBMBAPQIEB-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CC2(F)F)C1 ZINC001246461421 987820628 /nfs/dbraw/zinc/82/06/28/987820628.db2.gz PRKTVJOBLPIJNR-KXUCPTDWSA-N 1 2 218.291 1.762 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CNCC2(F)F)C1 ZINC001246461421 987820632 /nfs/dbraw/zinc/82/06/32/987820632.db2.gz PRKTVJOBLPIJNR-KXUCPTDWSA-N 1 2 218.291 1.762 20 0 BDADLO Cc1cc(C[N@H+]2CCCc3c(cnn3C)C2)n[nH]1 ZINC001118012041 987983520 /nfs/dbraw/zinc/98/35/20/987983520.db2.gz LONDMFLUNROWTR-UHFFFAOYSA-N 1 2 245.330 1.400 20 0 BDADLO Cc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)n[nH]1 ZINC001118012041 987983529 /nfs/dbraw/zinc/98/35/29/987983529.db2.gz LONDMFLUNROWTR-UHFFFAOYSA-N 1 2 245.330 1.400 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)on1 ZINC001321858758 988030838 /nfs/dbraw/zinc/03/08/38/988030838.db2.gz VCPWIVXEBAFVQJ-QMMMGPOBSA-N 1 2 248.286 1.583 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)CC(C)C)C1 ZINC001494334066 988124723 /nfs/dbraw/zinc/12/47/23/988124723.db2.gz JWYPZSPZNLBSBE-UHFFFAOYSA-N 1 2 224.348 1.799 20 0 BDADLO CCC(=CC(=O)NC1C[NH+](CCOC)C1)CC ZINC001494370515 988132649 /nfs/dbraw/zinc/13/26/49/988132649.db2.gz JZSGADASPIIKGQ-UHFFFAOYSA-N 1 2 240.347 1.180 20 0 BDADLO CCC(C)(C)C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001494443690 988144554 /nfs/dbraw/zinc/14/45/54/988144554.db2.gz LHBMCVFKHJFBCM-JTQLQIEISA-N 1 2 242.363 1.258 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)[nH]n1 ZINC001118310460 988213767 /nfs/dbraw/zinc/21/37/67/988213767.db2.gz DOVRWYHQPVNMRF-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)[nH]n1 ZINC001118310460 988213785 /nfs/dbraw/zinc/21/37/85/988213785.db2.gz DOVRWYHQPVNMRF-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO CC(C)OCCc1nnc(C[NH+](C)C)o1 ZINC001322399901 988241600 /nfs/dbraw/zinc/24/16/00/988241600.db2.gz JVAAIXMIRZECMS-UHFFFAOYSA-N 1 2 213.281 1.099 20 0 BDADLO Cc1[nH]c(CN[C@@H]2CCn3ccnc32)[nH+]c1C ZINC001118421078 988331907 /nfs/dbraw/zinc/33/19/07/988331907.db2.gz XVGNREXPIGZVJX-SNVBAGLBSA-N 1 2 231.303 1.458 20 0 BDADLO O=C(NC/C=C\C[NH2+]Cc1ccon1)C1CCC1 ZINC001497508986 988384321 /nfs/dbraw/zinc/38/43/21/988384321.db2.gz BMFPPRJPMRRSGX-UPHRSURJSA-N 1 2 249.314 1.237 20 0 BDADLO COCC[N@H+](Cc1nnc[nH]1)[C@@H]1CC[C@H](C)C1 ZINC001118496836 988393801 /nfs/dbraw/zinc/39/38/01/988393801.db2.gz JMMAWKHFHLGOOX-WDEREUQCSA-N 1 2 238.335 1.442 20 0 BDADLO COCC[N@@H+](Cc1nnc[nH]1)[C@@H]1CC[C@H](C)C1 ZINC001118496836 988393815 /nfs/dbraw/zinc/39/38/15/988393815.db2.gz JMMAWKHFHLGOOX-WDEREUQCSA-N 1 2 238.335 1.442 20 0 BDADLO O=C(CCCF)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001323287405 988489001 /nfs/dbraw/zinc/48/90/01/988489001.db2.gz PVMDKPPOKYNZDI-XJIUSYNZSA-N 1 2 248.729 1.679 20 0 BDADLO O=C(CCCF)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001323287405 988489009 /nfs/dbraw/zinc/48/90/09/988489009.db2.gz PVMDKPPOKYNZDI-XJIUSYNZSA-N 1 2 248.729 1.679 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)[C@H](F)C(C)C)C1 ZINC001499732333 988560285 /nfs/dbraw/zinc/56/02/85/988560285.db2.gz QZNFEOAUSSSVHX-SNVBAGLBSA-N 1 2 216.300 1.143 20 0 BDADLO C[C@H](C(=O)N(C)C[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC001118798259 988604530 /nfs/dbraw/zinc/60/45/30/988604530.db2.gz LWTUKPNTDINSBA-GHMZBOCLSA-N 1 2 235.331 1.949 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccnc(F)c2)[nH]1 ZINC001118801860 988610296 /nfs/dbraw/zinc/61/02/96/988610296.db2.gz WNKQCLSWCFYHAH-MRVPVSSYSA-N 1 2 249.293 1.752 20 0 BDADLO C[C@H]1[N@H+](CN2C(=O)CC2(C)C)CCOC1(C)C ZINC001323943911 988657610 /nfs/dbraw/zinc/65/76/10/988657610.db2.gz PZIJOBHXEZFJJX-SNVBAGLBSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H]1[N@@H+](CN2C(=O)CC2(C)C)CCOC1(C)C ZINC001323943911 988657619 /nfs/dbraw/zinc/65/76/19/988657619.db2.gz PZIJOBHXEZFJJX-SNVBAGLBSA-N 1 2 240.347 1.454 20 0 BDADLO Cc1cc(F)cc(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC001548517007 988751150 /nfs/dbraw/zinc/75/11/50/988751150.db2.gz DHHNAHLOXCTCOM-VHSXEESVSA-N 1 2 208.236 1.507 20 0 BDADLO Cc1ccc(-c2nnc(Cn3cc[nH+]c3)o2)o1 ZINC001324256692 988771167 /nfs/dbraw/zinc/77/11/67/988771167.db2.gz DCWOECRHEJSDOE-UHFFFAOYSA-N 1 2 230.227 1.883 20 0 BDADLO O=C([O-])[C@H](C1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001119090583 988831422 /nfs/dbraw/zinc/83/14/22/988831422.db2.gz HFHAAKCIWYVXIU-LBPRGKRZSA-N 1 2 249.314 1.383 20 0 BDADLO Cn1c(CCCO)[nH+]c2ccc(F)c(F)c21 ZINC001247041887 988846513 /nfs/dbraw/zinc/84/65/13/988846513.db2.gz QWTBYFFOOCCVSY-UHFFFAOYSA-N 1 2 226.226 1.776 20 0 BDADLO c1[nH]cc(CCc2nc(-c3ccccn3)no2)[nH+]1 ZINC001247105494 988850448 /nfs/dbraw/zinc/85/04/48/988850448.db2.gz YLGPWGDEDQTLLV-UHFFFAOYSA-N 1 2 241.254 1.640 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@]23CCOC3)s1 ZINC001119244116 988858460 /nfs/dbraw/zinc/85/84/60/988858460.db2.gz BNZRBERLMCLQMM-LLVKDONJSA-N 1 2 240.328 1.517 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@]23CCOC3)s1 ZINC001119244116 988858462 /nfs/dbraw/zinc/85/84/62/988858462.db2.gz BNZRBERLMCLQMM-LLVKDONJSA-N 1 2 240.328 1.517 20 0 BDADLO CC[C@@](C)(C[NH2+][C@H](C)c1noc(C)n1)OC ZINC001119245802 988863057 /nfs/dbraw/zinc/86/30/57/988863057.db2.gz UPTCYUCBZWSFIY-KCJUWKMLSA-N 1 2 227.308 1.844 20 0 BDADLO C[C@H](c1ccccn1)N(C)c1cc(N)nc[nH+]1 ZINC001515408326 989040783 /nfs/dbraw/zinc/04/07/83/989040783.db2.gz QBBIUDIZRKVALU-SECBINFHSA-N 1 2 229.287 1.651 20 0 BDADLO CCc1ccc(N2CCC(C)(O)CC2)[nH+]c1 ZINC001515566257 989064003 /nfs/dbraw/zinc/06/40/03/989064003.db2.gz VOUOPQPQJQIKMD-UHFFFAOYSA-N 1 2 220.316 1.995 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2ccn(C)n2)c[nH+]1 ZINC001119516483 989120906 /nfs/dbraw/zinc/12/09/06/989120906.db2.gz YRTBAVFFWQDUSW-UHFFFAOYSA-N 1 2 247.302 1.299 20 0 BDADLO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001325203879 989121139 /nfs/dbraw/zinc/12/11/39/989121139.db2.gz LXNFLDRZPUIYIA-YUSALJHKSA-N 1 2 243.347 1.587 20 0 BDADLO C[C@H](C(=O)N[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC001325262385 989133928 /nfs/dbraw/zinc/13/39/28/989133928.db2.gz SPCLTSFLPYCLFO-BDAKNGLRSA-N 1 2 207.277 1.359 20 0 BDADLO Cn1c(=O)cccc1C[N@@H+]1CCc2occc2C1 ZINC001248809087 989168326 /nfs/dbraw/zinc/16/83/26/989168326.db2.gz IAQMXRFTRHRVEF-UHFFFAOYSA-N 1 2 244.294 1.537 20 0 BDADLO Cn1c(=O)cccc1C[N@H+]1CCc2occc2C1 ZINC001248809087 989168331 /nfs/dbraw/zinc/16/83/31/989168331.db2.gz IAQMXRFTRHRVEF-UHFFFAOYSA-N 1 2 244.294 1.537 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3n2CCC3)CCC1=O ZINC001248821343 989176734 /nfs/dbraw/zinc/17/67/34/989176734.db2.gz WRRKVIQAWZEOBB-LLVKDONJSA-N 1 2 232.327 1.845 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3n2CCC3)CCC1=O ZINC001248821343 989176741 /nfs/dbraw/zinc/17/67/41/989176741.db2.gz WRRKVIQAWZEOBB-LLVKDONJSA-N 1 2 232.327 1.845 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001248859190 989197634 /nfs/dbraw/zinc/19/76/34/989197634.db2.gz FVCKKWGOQRVICT-NSHDSACASA-N 1 2 223.276 1.133 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001248859190 989197635 /nfs/dbraw/zinc/19/76/35/989197635.db2.gz FVCKKWGOQRVICT-NSHDSACASA-N 1 2 223.276 1.133 20 0 BDADLO Cc1nonc1C[NH+]1CC2(C1)CCCC2 ZINC001248857182 989197661 /nfs/dbraw/zinc/19/76/61/989197661.db2.gz PTQQZBFORJRURS-UHFFFAOYSA-N 1 2 207.277 1.754 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H](OC(C)C)C1 ZINC001248859554 989204742 /nfs/dbraw/zinc/20/47/42/989204742.db2.gz FATRLWLBRROPGZ-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001248859554 989204758 /nfs/dbraw/zinc/20/47/58/989204758.db2.gz FATRLWLBRROPGZ-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO Cc1cc(CC(=O)OCCc2c[nH+]cn2C)no1 ZINC001518234557 989291426 /nfs/dbraw/zinc/29/14/26/989291426.db2.gz PSAMFHQKJVUDBU-UHFFFAOYSA-N 1 2 249.270 1.045 20 0 BDADLO Cc1nc(C(=O)Nc2c(C)c[nH+]cc2C)c(C)o1 ZINC001518363961 989299160 /nfs/dbraw/zinc/29/91/60/989299160.db2.gz CEBMTKZJOKZBIB-UHFFFAOYSA-N 1 2 245.282 1.977 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1COC(=O)C1 ZINC001518384159 989301567 /nfs/dbraw/zinc/30/15/67/989301567.db2.gz NOVIYISZDKOIIJ-JTQLQIEISA-N 1 2 248.282 1.012 20 0 BDADLO Cc1cc(C[NH+]2CCC(C)(O)CC2)ns1 ZINC001249571067 989310856 /nfs/dbraw/zinc/31/08/56/989310856.db2.gz KMFHZDDZQUMMJU-UHFFFAOYSA-N 1 2 226.345 1.798 20 0 BDADLO Cn1cnc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001249582517 989318641 /nfs/dbraw/zinc/31/86/41/989318641.db2.gz BCKYYZMJXXUZSG-UHFFFAOYSA-N 1 2 242.204 1.999 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C3CC3)n(C)n2)[nH]n1 ZINC001119683229 989327583 /nfs/dbraw/zinc/32/75/83/989327583.db2.gz JMLJFCGXKYIVJI-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1ccccn1 ZINC001518834517 989342982 /nfs/dbraw/zinc/34/29/82/989342982.db2.gz NUAHDABZPOEICI-UHFFFAOYSA-N 1 2 230.271 1.386 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cn[nH]c1 ZINC001119696518 989345839 /nfs/dbraw/zinc/34/58/39/989345839.db2.gz YAUDDFKKEYFPBP-OYNCUSHFSA-N 1 2 232.291 1.358 20 0 BDADLO CC1CC(C[N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC001119844501 989431096 /nfs/dbraw/zinc/43/10/96/989431096.db2.gz SPFUAGSRGVHKHI-UDNWOFFPSA-N 1 2 219.275 1.734 20 0 BDADLO CC1CC(C[N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC001119844501 989431098 /nfs/dbraw/zinc/43/10/98/989431098.db2.gz SPFUAGSRGVHKHI-UDNWOFFPSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@H](CCO)CNc1cc(N(C)C)nc[nH+]1 ZINC001119942372 989493775 /nfs/dbraw/zinc/49/37/75/989493775.db2.gz ALRXPWIYTBKUNU-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO CC[C@H](CCO)CNc1cc(N(C)C)[nH+]cn1 ZINC001119942372 989493788 /nfs/dbraw/zinc/49/37/88/989493788.db2.gz ALRXPWIYTBKUNU-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO CNc1cc(N2CC[C@H]3OCCC[C@H]3C2)nc[nH+]1 ZINC001119947744 989503149 /nfs/dbraw/zinc/50/31/49/989503149.db2.gz WTTOZBNVCCJLRH-WDEREUQCSA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CC[C@H]3OCCC[C@H]3C2)[nH+]cn1 ZINC001119947744 989503160 /nfs/dbraw/zinc/50/31/60/989503160.db2.gz WTTOZBNVCCJLRH-WDEREUQCSA-N 1 2 248.330 1.524 20 0 BDADLO CC(C)N(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001326384421 989540172 /nfs/dbraw/zinc/54/01/72/989540172.db2.gz RANKCYIEQLKILN-JTQLQIEISA-N 1 2 221.304 1.844 20 0 BDADLO CCc1cnc(NC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001119985310 989542456 /nfs/dbraw/zinc/54/24/56/989542456.db2.gz YSXDNXKEQPRXCZ-QMMMGPOBSA-N 1 2 234.259 1.633 20 0 BDADLO Cc1nnc([C@H](C)N2CCn3c[nH+]cc3C2)o1 ZINC001326407630 989548184 /nfs/dbraw/zinc/54/81/84/989548184.db2.gz UOGZMZNFROKZIF-QMMMGPOBSA-N 1 2 233.275 1.151 20 0 BDADLO CSCC(C)(C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001119998981 989552229 /nfs/dbraw/zinc/55/22/29/989552229.db2.gz DFIQZVGZFXEBIN-VIFPVBQESA-N 1 2 241.360 1.702 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCCSC1)n1cc[nH+]c1 ZINC001326450819 989565186 /nfs/dbraw/zinc/56/51/86/989565186.db2.gz CTVFZEIDCAJIQU-UWVGGRQHSA-N 1 2 239.344 1.456 20 0 BDADLO CO[C@H]1CC[C@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC001120037759 989570939 /nfs/dbraw/zinc/57/09/39/989570939.db2.gz KJFDGCBIAVIKSD-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@H]1CC[C@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC001120037759 989570946 /nfs/dbraw/zinc/57/09/46/989570946.db2.gz KJFDGCBIAVIKSD-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO Cc1conc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001520578417 989580307 /nfs/dbraw/zinc/58/03/07/989580307.db2.gz NCDGJVWITGHEDH-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1conc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001520578417 989580319 /nfs/dbraw/zinc/58/03/19/989580319.db2.gz NCDGJVWITGHEDH-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](OC(C)C)C2)[nH+]cn1 ZINC001120051994 989582852 /nfs/dbraw/zinc/58/28/52/989582852.db2.gz HPUPAJRLTUBULM-AOOOYVTPSA-N 1 2 236.319 1.886 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1C2CCC1CC2 ZINC001520760153 989598512 /nfs/dbraw/zinc/59/85/12/989598512.db2.gz CLQGUBQIXGOQOY-UHFFFAOYSA-N 1 2 233.315 1.506 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001520761964 989600546 /nfs/dbraw/zinc/60/05/46/989600546.db2.gz UICCIHDDWOOVPZ-JTQLQIEISA-N 1 2 235.331 1.610 20 0 BDADLO CN(C(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001521125366 989638237 /nfs/dbraw/zinc/63/82/37/989638237.db2.gz CWYXQBPUNHUSFI-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001120601809 989775062 /nfs/dbraw/zinc/77/50/62/989775062.db2.gz XCOXKGHMPMCJPQ-GHMZBOCLSA-N 1 2 239.294 1.795 20 0 BDADLO Cc1noc(N(C)CCCn2cc[nH+]c2)n1 ZINC001120827180 989908321 /nfs/dbraw/zinc/90/83/21/989908321.db2.gz HQTOJOCLGJRGSL-UHFFFAOYSA-N 1 2 221.264 1.101 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)C[C@H](CO)C2)[nH+]1 ZINC001120857895 989928005 /nfs/dbraw/zinc/92/80/05/989928005.db2.gz PCMYAFUIAGVJNJ-KOLCDFICSA-N 1 2 238.306 1.984 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H]2C2CC2)nc[nH+]1 ZINC001120897336 989955220 /nfs/dbraw/zinc/95/52/20/989955220.db2.gz VJYYOAAZCIZEPQ-LLVKDONJSA-N 1 2 232.331 1.921 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H]2C2CC2)[nH+]cn1 ZINC001120897336 989955227 /nfs/dbraw/zinc/95/52/27/989955227.db2.gz VJYYOAAZCIZEPQ-LLVKDONJSA-N 1 2 232.331 1.921 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)Cc2ccsc2)c1 ZINC001524816409 990015605 /nfs/dbraw/zinc/01/56/05/990015605.db2.gz XWQNTUNFFYZMNI-UHFFFAOYSA-N 1 2 249.339 1.383 20 0 BDADLO CC(C)[C@H](F)C(=O)NCCc1cn(C)c[nH+]1 ZINC001524816002 990016189 /nfs/dbraw/zinc/01/61/89/990016189.db2.gz LCVUEXGZOYBEDD-JTQLQIEISA-N 1 2 227.283 1.073 20 0 BDADLO CCn1nccc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001121138883 990022366 /nfs/dbraw/zinc/02/23/66/990022366.db2.gz DYZBUARPNBWLNU-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@H]1C ZINC001121139034 990023453 /nfs/dbraw/zinc/02/34/53/990023453.db2.gz HNWPFDXRFPCABI-OIBJUYFYSA-N 1 2 204.273 1.715 20 0 BDADLO CO[C@H](C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001121231800 990054019 /nfs/dbraw/zinc/05/40/19/990054019.db2.gz RVAMHEMWWSNAMP-SNVBAGLBSA-N 1 2 222.288 1.484 20 0 BDADLO Cc1cc(CNC(=O)C[C@H]2CCOC2)cc(C)[nH+]1 ZINC001525862821 990078053 /nfs/dbraw/zinc/07/80/53/990078053.db2.gz CNGWZYHNNQWJAA-GFCCVEGCSA-N 1 2 248.326 1.741 20 0 BDADLO C[C@H]([NH3+])CONC(=O)[C@]1(C)CCc2ccccc21 ZINC001122074912 990223244 /nfs/dbraw/zinc/22/32/44/990223244.db2.gz GXISFGHDJPPOHW-IINYFYTJSA-N 1 2 248.326 1.286 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CC2(CCC2)C1 ZINC001528582259 990299535 /nfs/dbraw/zinc/29/95/35/990299535.db2.gz WORSCJMJLADRSW-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CC23CC3)co1 ZINC001529119901 990332819 /nfs/dbraw/zinc/33/28/19/990332819.db2.gz RUIBQCDHIRKYDK-JTQLQIEISA-N 1 2 249.314 1.153 20 0 BDADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC001122758267 990444030 /nfs/dbraw/zinc/44/40/30/990444030.db2.gz XYLLSIPOUAHMFD-INTQDDNPSA-N 1 2 238.287 1.134 20 0 BDADLO Cc1cocc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001535593591 990473903 /nfs/dbraw/zinc/47/39/03/990473903.db2.gz OVAUAKCTRSNCRU-UHFFFAOYSA-N 1 2 216.240 1.966 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CCC(=O)C1 ZINC001123377325 990568081 /nfs/dbraw/zinc/56/80/81/990568081.db2.gz YPWNEORXVHOZTD-SECBINFHSA-N 1 2 236.271 1.315 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1CCOCC1 ZINC001123468257 990588126 /nfs/dbraw/zinc/58/81/26/990588126.db2.gz IESSPZUUIFQODJ-UHFFFAOYSA-N 1 2 238.287 1.373 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H](OC)C1CC1 ZINC001123473208 990589087 /nfs/dbraw/zinc/58/90/87/990589087.db2.gz PWXPAGLXBPHWHK-LLVKDONJSA-N 1 2 238.287 1.371 20 0 BDADLO CNc1cc(CNC(=O)N(C)C(C)C)cc[nH+]1 ZINC001123796353 990669996 /nfs/dbraw/zinc/66/99/96/990669996.db2.gz WLMRZGTXZSEZMR-UHFFFAOYSA-N 1 2 236.319 1.673 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)[C@H]1C ZINC001123808988 990674613 /nfs/dbraw/zinc/67/46/13/990674613.db2.gz PMBMSLWOSBVUIH-WOPDTQHZSA-N 1 2 249.358 1.856 20 0 BDADLO C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001123896299 990694941 /nfs/dbraw/zinc/69/49/41/990694941.db2.gz LRYLGBGQQAPZLH-VIFPVBQESA-N 1 2 221.304 1.267 20 0 BDADLO CC(C)CCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001544254844 990718296 /nfs/dbraw/zinc/71/82/96/990718296.db2.gz DLLWYRZKPUHZBE-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO Cc1coc(C)c1C(=O)NCCc1[nH+]ccn1C ZINC001124011299 990731787 /nfs/dbraw/zinc/73/17/87/990731787.db2.gz PPPPMPATGDBRHY-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001124014364 990732289 /nfs/dbraw/zinc/73/22/89/990732289.db2.gz CRBVKGFYDYDHKS-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1c[nH+]cc1C1CCN(C(=O)CCF)CC1 ZINC001124044495 990742327 /nfs/dbraw/zinc/74/23/27/990742327.db2.gz ULKHCRPGEFXEJE-UHFFFAOYSA-N 1 2 239.294 1.486 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1([C@@H]2CCCO2)CCC1 ZINC001124119185 990754887 /nfs/dbraw/zinc/75/48/87/990754887.db2.gz MWHXEVHNQWLKMP-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO COc1cc(CNc2[nH+]cccc2OC)on1 ZINC001548519294 990764750 /nfs/dbraw/zinc/76/47/50/990764750.db2.gz XHHDIFPDSMDMFZ-UHFFFAOYSA-N 1 2 235.243 1.699 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](O)C[C@H]2C)[nH+]1 ZINC001548514402 990765370 /nfs/dbraw/zinc/76/53/70/990765370.db2.gz CJRVOVFYOXAHND-SCZZXKLOSA-N 1 2 210.252 1.489 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C)ccc1O ZINC001556081326 990804769 /nfs/dbraw/zinc/80/47/69/990804769.db2.gz RYYJSLQSZDFMFP-LLVKDONJSA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C)ccc1O ZINC001556081326 990804770 /nfs/dbraw/zinc/80/47/70/990804770.db2.gz RYYJSLQSZDFMFP-LLVKDONJSA-N 1 2 234.299 1.733 20 0 BDADLO COC(=O)c1ccccc1C[NH+]1CC(C)(CO)C1 ZINC001137784435 990849695 /nfs/dbraw/zinc/84/96/95/990849695.db2.gz QZPGKJJQXJHENI-UHFFFAOYSA-N 1 2 249.310 1.287 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1c(O)cccc1F ZINC001557408305 990889576 /nfs/dbraw/zinc/88/95/76/990889576.db2.gz PZGZTSFUDMAKPB-UHFFFAOYSA-N 1 2 249.245 1.744 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1cnc(N)nc1)C2 ZINC001138159912 990890710 /nfs/dbraw/zinc/89/07/10/990890710.db2.gz KGTDOWXRDDSRMD-UHFFFAOYSA-N 1 2 240.310 1.883 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1cnc(N)nc1)C2 ZINC001138159912 990890714 /nfs/dbraw/zinc/89/07/14/990890714.db2.gz KGTDOWXRDDSRMD-UHFFFAOYSA-N 1 2 240.310 1.883 20 0 BDADLO C[N@H+](Cc1cnc(N)nc1)Cc1ccccc1F ZINC001138165828 990893376 /nfs/dbraw/zinc/89/33/76/990893376.db2.gz ZPQWZKZXWQYMJE-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[N@@H+](Cc1cnc(N)nc1)Cc1ccccc1F ZINC001138165828 990893380 /nfs/dbraw/zinc/89/33/80/990893380.db2.gz ZPQWZKZXWQYMJE-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO c1cc(C[N@@H+]2CCC23COC3)c2nccnc2c1 ZINC001138304191 990909421 /nfs/dbraw/zinc/90/94/21/990909421.db2.gz DPKZNLYTTVIMEA-UHFFFAOYSA-N 1 2 241.294 1.605 20 0 BDADLO c1cc(C[N@H+]2CCC23COC3)c2nccnc2c1 ZINC001138304191 990909434 /nfs/dbraw/zinc/90/94/34/990909434.db2.gz DPKZNLYTTVIMEA-UHFFFAOYSA-N 1 2 241.294 1.605 20 0 BDADLO CCC/C=C/C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557842046 990913453 /nfs/dbraw/zinc/91/34/53/990913453.db2.gz TTYQKWMSTNJGJS-SNAWJCMRSA-N 1 2 245.326 1.905 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001558088754 990924122 /nfs/dbraw/zinc/92/41/22/990924122.db2.gz YKHLKXHFSKPDPJ-VXGBXAGGSA-N 1 2 247.342 1.680 20 0 BDADLO C[N@H+](Cc1cncs1)Cc1ncccc1O ZINC001138395532 990933058 /nfs/dbraw/zinc/93/30/58/990933058.db2.gz GUYZJNJEHHBMOB-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cncs1)Cc1ncccc1O ZINC001138395532 990933063 /nfs/dbraw/zinc/93/30/63/990933063.db2.gz GUYZJNJEHHBMOB-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cncc(F)c1 ZINC001558296307 990934786 /nfs/dbraw/zinc/93/47/86/990934786.db2.gz JCSRZAVZIDKSGG-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H](C)SC)c[nH+]1 ZINC001558497194 990948937 /nfs/dbraw/zinc/94/89/37/990948937.db2.gz DWKCPOMVZYVEHO-ZETCQYMHSA-N 1 2 227.333 1.340 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H](C)SC)[nH+]1 ZINC001558497194 990948943 /nfs/dbraw/zinc/94/89/43/990948943.db2.gz DWKCPOMVZYVEHO-ZETCQYMHSA-N 1 2 227.333 1.340 20 0 BDADLO C=C/C=C\CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001138457253 990952314 /nfs/dbraw/zinc/95/23/14/990952314.db2.gz BUDBRTPLWMEDEO-BYCRGOAPSA-N 1 2 231.299 1.446 20 0 BDADLO CCO[C@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558562002 990967202 /nfs/dbraw/zinc/96/72/02/990967202.db2.gz ZKWSQYMJYKUROY-SECBINFHSA-N 1 2 239.319 1.574 20 0 BDADLO CCO[C@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558562002 990967210 /nfs/dbraw/zinc/96/72/10/990967210.db2.gz ZKWSQYMJYKUROY-SECBINFHSA-N 1 2 239.319 1.574 20 0 BDADLO C[C@H](C(=O)NCC1C[NH+](CCF)C1)C1CC1 ZINC001567826324 990976320 /nfs/dbraw/zinc/97/63/20/990976320.db2.gz SWAOETUPAWIPLN-VIFPVBQESA-N 1 2 228.311 1.050 20 0 BDADLO CCc1cccc(NC(=O)[C@@H]2CC[N@H+]2CC)c1O ZINC001558635812 990977487 /nfs/dbraw/zinc/97/74/87/990977487.db2.gz RCYJUBAIURNKJE-LBPRGKRZSA-N 1 2 248.326 1.987 20 0 BDADLO CCc1cccc(NC(=O)[C@@H]2CC[N@@H+]2CC)c1O ZINC001558635812 990977493 /nfs/dbraw/zinc/97/74/93/990977493.db2.gz RCYJUBAIURNKJE-LBPRGKRZSA-N 1 2 248.326 1.987 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccnc1NC)C2 ZINC001138695822 991009645 /nfs/dbraw/zinc/00/96/45/991009645.db2.gz GRZVZCFVDQFPAA-JSGCOSHPSA-N 1 2 247.342 1.877 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccnc1NC)C2 ZINC001138695822 991009655 /nfs/dbraw/zinc/00/96/55/991009655.db2.gz GRZVZCFVDQFPAA-JSGCOSHPSA-N 1 2 247.342 1.877 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)cnc2[nH]1 ZINC001138744215 991027162 /nfs/dbraw/zinc/02/71/62/991027162.db2.gz NFZIZFYRPSSXQZ-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)cnc2[nH]1 ZINC001138744215 991027173 /nfs/dbraw/zinc/02/71/73/991027173.db2.gz NFZIZFYRPSSXQZ-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO O=C1CC[C@@H](C[NH+]2CC(Oc3ccccc3)C2)N1 ZINC001202865268 991044667 /nfs/dbraw/zinc/04/46/67/991044667.db2.gz WQYFRSMHRIBGCH-NSHDSACASA-N 1 2 246.310 1.028 20 0 BDADLO OCCOc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001138798033 991059991 /nfs/dbraw/zinc/05/99/91/991059991.db2.gz OAKGWDVZTMALTB-UHFFFAOYSA-N 1 2 249.310 1.032 20 0 BDADLO OCCOc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001138798033 991059999 /nfs/dbraw/zinc/05/99/99/991059999.db2.gz OAKGWDVZTMALTB-UHFFFAOYSA-N 1 2 249.310 1.032 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3occc3c2)C[C@@H]1F ZINC001138822918 991074658 /nfs/dbraw/zinc/07/46/58/991074658.db2.gz SFFUMPZBAPQSJU-NWDGAFQWSA-N 1 2 235.258 1.947 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3occc3c2)C[C@@H]1F ZINC001138822918 991074663 /nfs/dbraw/zinc/07/46/63/991074663.db2.gz SFFUMPZBAPQSJU-NWDGAFQWSA-N 1 2 235.258 1.947 20 0 BDADLO COc1ccc(C)cc1NC(=O)NC1C[NH+](C)C1 ZINC001202869808 991085586 /nfs/dbraw/zinc/08/55/86/991085586.db2.gz ZTHPAYNAFMKYMZ-UHFFFAOYSA-N 1 2 249.314 1.439 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)cnc1Cl ZINC001138890784 991094590 /nfs/dbraw/zinc/09/45/90/991094590.db2.gz IPRQIUVPJYBSQB-JTQLQIEISA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(F)cnc1Cl ZINC001138890784 991094599 /nfs/dbraw/zinc/09/45/99/991094599.db2.gz IPRQIUVPJYBSQB-JTQLQIEISA-N 1 2 244.697 1.831 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)cnc2Cl)C[C@@H]1O ZINC001138891383 991095248 /nfs/dbraw/zinc/09/52/48/991095248.db2.gz WIGDJJPMQGZGKF-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)cnc2Cl)C[C@@H]1O ZINC001138891383 991095257 /nfs/dbraw/zinc/09/52/57/991095257.db2.gz WIGDJJPMQGZGKF-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H](Cc1ccco1)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258192261 991099081 /nfs/dbraw/zinc/09/90/81/991099081.db2.gz KAEPUFJSFNBUOT-YWVKMMECSA-N 1 2 240.278 1.108 20 0 BDADLO C[C@H](Cc1ccco1)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258192261 991099087 /nfs/dbraw/zinc/09/90/87/991099087.db2.gz KAEPUFJSFNBUOT-YWVKMMECSA-N 1 2 240.278 1.108 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001138939985 991110560 /nfs/dbraw/zinc/11/05/60/991110560.db2.gz YWQUOWPLDWNWRB-NSHDSACASA-N 1 2 221.304 1.519 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001138939985 991110565 /nfs/dbraw/zinc/11/05/65/991110565.db2.gz YWQUOWPLDWNWRB-NSHDSACASA-N 1 2 221.304 1.519 20 0 BDADLO CCc1cn(Cc2csnc2OC)c[nH+]1 ZINC001559466036 991112231 /nfs/dbraw/zinc/11/22/31/991112231.db2.gz JQAITOVRCDYOHV-UHFFFAOYSA-N 1 2 223.301 1.959 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[C@@H]1C ZINC001138944021 991112957 /nfs/dbraw/zinc/11/29/57/991112957.db2.gz RTDKKGJCDNNEBE-ONGXEEELSA-N 1 2 235.331 1.813 20 0 BDADLO CCc1cn(Cc2nnc(C3CC3)o2)c[nH+]1 ZINC001559466255 991113172 /nfs/dbraw/zinc/11/31/72/991113172.db2.gz PMOVABMXXFFKQG-UHFFFAOYSA-N 1 2 218.260 1.754 20 0 BDADLO CCc1cn(CCOC(=O)N(C)C)c[nH+]1 ZINC001559466428 991114569 /nfs/dbraw/zinc/11/45/69/991114569.db2.gz UIKXCMGDVXELJO-UHFFFAOYSA-N 1 2 211.265 1.144 20 0 BDADLO CCn1ccc2ccc(C[NH+]3CC(O)C3)cc21 ZINC001139119296 991157256 /nfs/dbraw/zinc/15/72/56/991157256.db2.gz KGIMIEMQFYJDPG-UHFFFAOYSA-N 1 2 230.311 1.838 20 0 BDADLO COc1cc(O)ccc1C[N@H+](C)C1(C)COC1 ZINC001139143167 991164784 /nfs/dbraw/zinc/16/47/84/991164784.db2.gz IMZJJVBFXHMPRL-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO COc1cc(O)ccc1C[N@@H+](C)C1(C)COC1 ZINC001139143167 991164796 /nfs/dbraw/zinc/16/47/96/991164796.db2.gz IMZJJVBFXHMPRL-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO OC1C[NH+](Cc2ccc3cccnc3c2)C1 ZINC001139164738 991173448 /nfs/dbraw/zinc/17/34/48/991173448.db2.gz OQDXUGILSPDTSW-UHFFFAOYSA-N 1 2 214.268 1.411 20 0 BDADLO Cc1cc(C[N@@H+](C)C2CCS(=O)CC2)no1 ZINC001559601004 991181179 /nfs/dbraw/zinc/18/11/79/991181179.db2.gz OHBPSCARCWPWLO-UHFFFAOYSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1cc(C[N@H+](C)C2CCS(=O)CC2)no1 ZINC001559601004 991181183 /nfs/dbraw/zinc/18/11/83/991181183.db2.gz OHBPSCARCWPWLO-UHFFFAOYSA-N 1 2 242.344 1.326 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc3nsnc3c2)C1 ZINC001139210895 991194547 /nfs/dbraw/zinc/19/45/47/991194547.db2.gz YSHZKIMOOAGUII-UHFFFAOYSA-N 1 2 249.339 1.506 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cnc(N)s2)C[C@@H]1F ZINC001139226215 991197191 /nfs/dbraw/zinc/19/71/91/991197191.db2.gz WAZNCHKSMGJYOG-WPRPVWTQSA-N 1 2 247.314 1.997 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cnc(N)s2)C[C@@H]1F ZINC001139226215 991197201 /nfs/dbraw/zinc/19/72/01/991197201.db2.gz WAZNCHKSMGJYOG-WPRPVWTQSA-N 1 2 247.314 1.997 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258275504 991200814 /nfs/dbraw/zinc/20/08/14/991200814.db2.gz MPKCIPIPZJJLSS-MNOVXSKESA-N 1 2 243.347 1.469 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(N)s1 ZINC001139230842 991212885 /nfs/dbraw/zinc/21/28/85/991212885.db2.gz KLNUSRUAVPPQHV-SNVBAGLBSA-N 1 2 239.344 1.669 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(N)s1 ZINC001139230842 991212895 /nfs/dbraw/zinc/21/28/95/991212895.db2.gz KLNUSRUAVPPQHV-SNVBAGLBSA-N 1 2 239.344 1.669 20 0 BDADLO COCC1([N@H+](C)Cc2nc(C)c(C)[nH]2)CC1 ZINC001559713551 991222734 /nfs/dbraw/zinc/22/27/34/991222734.db2.gz RVWYYEZRRXGUEW-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO COCC1([N@@H+](C)Cc2nc(C)c(C)[nH]2)CC1 ZINC001559713551 991222745 /nfs/dbraw/zinc/22/27/45/991222745.db2.gz RVWYYEZRRXGUEW-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO COCC1(N(C)Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC001559713551 991222758 /nfs/dbraw/zinc/22/27/58/991222758.db2.gz RVWYYEZRRXGUEW-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@H](C[NH2+][C@H](C)c1noc(C)n1)OC ZINC001559731393 991233441 /nfs/dbraw/zinc/23/34/41/991233441.db2.gz KFWVHXOYEUPXDM-VXNVDRBHSA-N 1 2 213.281 1.454 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CC)CO)c1noc(C)n1 ZINC001559736122 991231385 /nfs/dbraw/zinc/23/13/85/991231385.db2.gz CNTFTOHJFBKZAE-DTWKUNHWSA-N 1 2 213.281 1.190 20 0 BDADLO CCC1(C[N@@H+]2CC(F)(F)C[C@@]2(C)CO)COC1 ZINC001202927064 991232938 /nfs/dbraw/zinc/23/29/38/991232938.db2.gz OOXXCLSAWDCEJM-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CCC1(C[N@H+]2CC(F)(F)C[C@@]2(C)CO)COC1 ZINC001202927064 991232950 /nfs/dbraw/zinc/23/29/50/991232950.db2.gz OOXXCLSAWDCEJM-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CCC1(C[N@@H+]2CC(F)(F)C[C@]2(C)CO)COC1 ZINC001202927066 991234385 /nfs/dbraw/zinc/23/43/85/991234385.db2.gz OOXXCLSAWDCEJM-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO CCC1(C[N@H+]2CC(F)(F)C[C@]2(C)CO)COC1 ZINC001202927066 991234396 /nfs/dbraw/zinc/23/43/96/991234396.db2.gz OOXXCLSAWDCEJM-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCOC3(CC3)C2)cn1 ZINC001139461088 991246880 /nfs/dbraw/zinc/24/68/80/991246880.db2.gz RIIQSTRRXPRWBS-UHFFFAOYSA-N 1 2 247.342 1.512 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCOC3(CC3)C2)cn1 ZINC001139461088 991246886 /nfs/dbraw/zinc/24/68/86/991246886.db2.gz RIIQSTRRXPRWBS-UHFFFAOYSA-N 1 2 247.342 1.512 20 0 BDADLO COC(=O)CC[C@@H](C)[NH2+][C@H](C(=O)OC)C(C)C ZINC001258348445 991277146 /nfs/dbraw/zinc/27/71/46/991277146.db2.gz LKOPPIOWKMNJIR-KOLCDFICSA-N 1 2 245.319 1.115 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC1=NOCC1)CCO2 ZINC001559826515 991278135 /nfs/dbraw/zinc/27/81/35/991278135.db2.gz ODZKCMLMQLTSPV-UHFFFAOYSA-N 1 2 246.310 1.966 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC1=NOCC1)CCO2 ZINC001559826515 991278148 /nfs/dbraw/zinc/27/81/48/991278148.db2.gz ODZKCMLMQLTSPV-UHFFFAOYSA-N 1 2 246.310 1.966 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)oc1C ZINC001559848945 991284634 /nfs/dbraw/zinc/28/46/34/991284634.db2.gz HEMJLTAXUZEZLT-NSHDSACASA-N 1 2 246.257 1.493 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@](O)(C(F)F)C2)oc1C ZINC001559848945 991284650 /nfs/dbraw/zinc/28/46/50/991284650.db2.gz HEMJLTAXUZEZLT-NSHDSACASA-N 1 2 246.257 1.493 20 0 BDADLO COC(=O)CC[C@H](C)[N@H+](C)Cc1ncccn1 ZINC001258364466 991308968 /nfs/dbraw/zinc/30/89/68/991308968.db2.gz AJFUEKHEBDCEFC-JTQLQIEISA-N 1 2 237.303 1.250 20 0 BDADLO COC(=O)CC[C@H](C)[N@@H+](C)Cc1ncccn1 ZINC001258364466 991308983 /nfs/dbraw/zinc/30/89/83/991308983.db2.gz AJFUEKHEBDCEFC-JTQLQIEISA-N 1 2 237.303 1.250 20 0 BDADLO C[C@H]1CC[N@@H+]1Cc1cn2ccncc2n1 ZINC001139694218 991320638 /nfs/dbraw/zinc/32/06/38/991320638.db2.gz GLIIQCPKSOLLBZ-VIFPVBQESA-N 1 2 202.261 1.324 20 0 BDADLO C[C@H]1CC[N@H+]1Cc1cn2ccncc2n1 ZINC001139694218 991320649 /nfs/dbraw/zinc/32/06/49/991320649.db2.gz GLIIQCPKSOLLBZ-VIFPVBQESA-N 1 2 202.261 1.324 20 0 BDADLO COC(=O)C[N@H+](C)Cc1c(C)cc(O)cc1C ZINC001139716505 991343291 /nfs/dbraw/zinc/34/32/91/991343291.db2.gz YLLFGHBTQUMVOU-UHFFFAOYSA-N 1 2 237.299 1.614 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1c(C)cc(O)cc1C ZINC001139716505 991343300 /nfs/dbraw/zinc/34/33/00/991343300.db2.gz YLLFGHBTQUMVOU-UHFFFAOYSA-N 1 2 237.299 1.614 20 0 BDADLO CCCCC[C@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001258427251 991356216 /nfs/dbraw/zinc/35/62/16/991356216.db2.gz AMWQECSTSQARGX-WDEREUQCSA-N 1 2 231.336 1.469 20 0 BDADLO c1nc2c([nH]1)C1(CCC1)[N@H+](CC1=NOCC1)CC2 ZINC001560114615 991380166 /nfs/dbraw/zinc/38/01/66/991380166.db2.gz UZZXSDWRFDUJJL-UHFFFAOYSA-N 1 2 246.314 1.423 20 0 BDADLO c1nc2c([nH]1)C1(CCC1)[N@@H+](CC1=NOCC1)CC2 ZINC001560114615 991380174 /nfs/dbraw/zinc/38/01/74/991380174.db2.gz UZZXSDWRFDUJJL-UHFFFAOYSA-N 1 2 246.314 1.423 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3c(cnn3C)C2)nc1 ZINC001139842476 991401209 /nfs/dbraw/zinc/40/12/09/991401209.db2.gz IBJZIOYWFDTBGH-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3c(cnn3C)C2)nc1 ZINC001139842476 991401213 /nfs/dbraw/zinc/40/12/13/991401213.db2.gz IBJZIOYWFDTBGH-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO OC1C[NH+](Cc2cncc3ccccc32)C1 ZINC001139894332 991412917 /nfs/dbraw/zinc/41/29/17/991412917.db2.gz UPMOPOFHYBLYPW-UHFFFAOYSA-N 1 2 214.268 1.411 20 0 BDADLO COC(=O)[C@]1([NH2+][C@H](C)CC2CC2)CCOC1 ZINC001258458559 991413830 /nfs/dbraw/zinc/41/38/30/991413830.db2.gz UROOHWYTIAJOEG-SKDRFNHKSA-N 1 2 227.304 1.097 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@H]2COC(C)(C)O2)n1 ZINC001560218597 991422753 /nfs/dbraw/zinc/42/27/53/991422753.db2.gz JDPMYVIPZSUHQN-NSHDSACASA-N 1 2 239.319 1.003 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@H]2COC(C)(C)O2)n1 ZINC001560218597 991422758 /nfs/dbraw/zinc/42/27/58/991422758.db2.gz JDPMYVIPZSUHQN-NSHDSACASA-N 1 2 239.319 1.003 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnnc1 ZINC001139987394 991462865 /nfs/dbraw/zinc/46/28/65/991462865.db2.gz QMRLCWCGPGEMRN-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccnnc1 ZINC001139987394 991462871 /nfs/dbraw/zinc/46/28/71/991462871.db2.gz QMRLCWCGPGEMRN-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO CC1(O)C[NH+](Cc2cc3ccccc3cn2)C1 ZINC001139995813 991473526 /nfs/dbraw/zinc/47/35/26/991473526.db2.gz PABQEZFYJZIJLH-UHFFFAOYSA-N 1 2 228.295 1.801 20 0 BDADLO Nc1nccnc1C[NH+]1CCC(F)(F)CC1 ZINC001140007574 991478086 /nfs/dbraw/zinc/47/80/86/991478086.db2.gz AINBUJJUHFJQRJ-UHFFFAOYSA-N 1 2 228.246 1.290 20 0 BDADLO c1nc(CNc2ccc3[nH]c[nH+]c3c2)c[nH]1 ZINC001560468177 991479936 /nfs/dbraw/zinc/47/99/36/991479936.db2.gz MTGFCMNBLKQARD-UHFFFAOYSA-N 1 2 213.244 1.898 20 0 BDADLO Nc1nccnc1C[N@@H+]1CCc2ccsc2C1 ZINC001140015430 991486387 /nfs/dbraw/zinc/48/63/87/991486387.db2.gz ABRPTWWWXGNADC-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1nccnc1C[N@H+]1CCc2ccsc2C1 ZINC001140015430 991486395 /nfs/dbraw/zinc/48/63/95/991486395.db2.gz ABRPTWWWXGNADC-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO c1cn2c(cccc2CNCc2csnn2)[nH+]1 ZINC001560548778 991500736 /nfs/dbraw/zinc/50/07/36/991500736.db2.gz AXLBFZZNUNGDIJ-UHFFFAOYSA-N 1 2 245.311 1.476 20 0 BDADLO Fc1cc(C[NH2+]Cc2cnc[nH]2)ccn1 ZINC001560548999 991501207 /nfs/dbraw/zinc/50/12/07/991501207.db2.gz LTTWCKGXZIGOEL-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nnnn2C)ccc1F ZINC001560610739 991516086 /nfs/dbraw/zinc/51/60/86/991516086.db2.gz GBJCIYZSVBLFOV-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO CC[C@H]1C[C@@H](C[NH2+]Cc2ncn[nH]2)CCO1 ZINC001560626336 991530686 /nfs/dbraw/zinc/53/06/86/991530686.db2.gz KMKRYZIIQCGYTI-UWVGGRQHSA-N 1 2 224.308 1.100 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccc(F)n2)CC[C@H]1F ZINC001140129901 991534979 /nfs/dbraw/zinc/53/49/79/991534979.db2.gz BFNRZNOKUDNMRK-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccc(F)n2)CC[C@H]1F ZINC001140129901 991534989 /nfs/dbraw/zinc/53/49/89/991534989.db2.gz BFNRZNOKUDNMRK-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO Fc1cccc(C[N@@H+]2CC[C@]23CCOC3)n1 ZINC001140135844 991536852 /nfs/dbraw/zinc/53/68/52/991536852.db2.gz VONBRNBDYUVTNN-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cccc(C[N@H+]2CC[C@]23CCOC3)n1 ZINC001140135844 991536862 /nfs/dbraw/zinc/53/68/62/991536862.db2.gz VONBRNBDYUVTNN-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1[C@@H](C)Cc1cccnc1 ZINC001258625987 991561598 /nfs/dbraw/zinc/56/15/98/991561598.db2.gz ZWSZIDQYHREQMS-JQWIXIFHSA-N 1 2 234.299 1.260 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1[C@@H](C)Cc1cccnc1 ZINC001258625987 991561607 /nfs/dbraw/zinc/56/16/07/991561607.db2.gz ZWSZIDQYHREQMS-JQWIXIFHSA-N 1 2 234.299 1.260 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(C)cc1O ZINC001140200018 991562428 /nfs/dbraw/zinc/56/24/28/991562428.db2.gz KZDPBQVMLVOQDI-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)c(C)cc1O ZINC001140200018 991562439 /nfs/dbraw/zinc/56/24/39/991562439.db2.gz KZDPBQVMLVOQDI-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccncc1O ZINC001140274426 991578219 /nfs/dbraw/zinc/57/82/19/991578219.db2.gz CPOLSOXEYDHJSZ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccncc1O ZINC001140274426 991578228 /nfs/dbraw/zinc/57/82/28/991578228.db2.gz CPOLSOXEYDHJSZ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1ccc(O)c(F)c1F ZINC001560746938 991584485 /nfs/dbraw/zinc/58/44/85/991584485.db2.gz WDRWBOVZTMPFNY-ZETCQYMHSA-N 1 2 231.242 1.483 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1ccc(O)c(F)c1F ZINC001560746938 991584495 /nfs/dbraw/zinc/58/44/95/991584495.db2.gz WDRWBOVZTMPFNY-ZETCQYMHSA-N 1 2 231.242 1.483 20 0 BDADLO C[N@H+](Cc1ccncn1)Cc1ccncc1O ZINC001140279920 991596773 /nfs/dbraw/zinc/59/67/73/991596773.db2.gz WUBGJNMNDQDFFW-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1ccncn1)Cc1ccncc1O ZINC001140279920 991596782 /nfs/dbraw/zinc/59/67/82/991596782.db2.gz WUBGJNMNDQDFFW-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO Cn1ncc2c1C[N@H+](Cc1ccncc1O)CC2 ZINC001140281162 991601556 /nfs/dbraw/zinc/60/15/56/991601556.db2.gz YYPQWFFJIGUVMR-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1ncc2c1C[N@@H+](Cc1ccncc1O)CC2 ZINC001140281162 991601562 /nfs/dbraw/zinc/60/15/62/991601562.db2.gz YYPQWFFJIGUVMR-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cc1ccc(CCNC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001317998455 991609504 /nfs/dbraw/zinc/60/95/04/991609504.db2.gz KNOZOBBHPQOZTK-NSHDSACASA-N 1 2 247.298 1.704 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001318089653 991620206 /nfs/dbraw/zinc/62/02/06/991620206.db2.gz VLBLVALMHCDQNE-LBPRGKRZSA-N 1 2 246.354 1.686 20 0 BDADLO CC/C(C)=C\C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC001318196062 991634064 /nfs/dbraw/zinc/63/40/64/991634064.db2.gz NGDKEXIGXJUXGO-AUSWNFFYSA-N 1 2 240.322 1.597 20 0 BDADLO CC/C(C)=C\C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC001318196062 991634068 /nfs/dbraw/zinc/63/40/68/991634068.db2.gz NGDKEXIGXJUXGO-AUSWNFFYSA-N 1 2 240.322 1.597 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2n[nH]cc2c1 ZINC001140390448 991635176 /nfs/dbraw/zinc/63/51/76/991635176.db2.gz QELUCUMHADPWBA-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2n[nH]cc2c1 ZINC001140390448 991635180 /nfs/dbraw/zinc/63/51/80/991635180.db2.gz QELUCUMHADPWBA-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001318355961 991653415 /nfs/dbraw/zinc/65/34/15/991653415.db2.gz NUIZJXUZSFLSFK-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO CCC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001318355961 991653420 /nfs/dbraw/zinc/65/34/20/991653420.db2.gz NUIZJXUZSFLSFK-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@@H](C(=O)N(CC(F)F)C1CC1)n1cc[nH+]c1 ZINC001318374569 991655815 /nfs/dbraw/zinc/65/58/15/991655815.db2.gz YMIKXZXUUCTXHW-QMMMGPOBSA-N 1 2 243.257 1.700 20 0 BDADLO CCc1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)[nH]n1 ZINC001318738868 991708957 /nfs/dbraw/zinc/70/89/57/991708957.db2.gz HTOCQZLYSUHPEF-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO CCc1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC001318738868 991708972 /nfs/dbraw/zinc/70/89/72/991708972.db2.gz HTOCQZLYSUHPEF-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO CC[C@@H](C)C[C@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001258778999 991746628 /nfs/dbraw/zinc/74/66/28/991746628.db2.gz PRTISZBLNCXOFD-OUAUKWLOSA-N 1 2 231.336 1.325 20 0 BDADLO CCC1(NC(=O)[C@H](C)n2cc[nH+]c2)CCC1 ZINC001319007467 991760834 /nfs/dbraw/zinc/76/08/34/991760834.db2.gz DBTQWQQRNLPJIB-JTQLQIEISA-N 1 2 221.304 1.893 20 0 BDADLO COc1ccc(F)c(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001566279813 991835897 /nfs/dbraw/zinc/83/58/97/991835897.db2.gz DRPAZCFFDGEQOZ-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cccnc1 ZINC001319744535 991960039 /nfs/dbraw/zinc/96/00/39/991960039.db2.gz XRPOOKBERGYLSC-JTQLQIEISA-N 1 2 243.314 1.470 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319820611 991991284 /nfs/dbraw/zinc/99/12/84/991991284.db2.gz HOIMHJSHHXFLLY-MNOVXSKESA-N 1 2 221.304 1.701 20 0 BDADLO Cc1ocnc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319977166 992053068 /nfs/dbraw/zinc/05/30/68/992053068.db2.gz NKIOIGAOFMVISW-QMMMGPOBSA-N 1 2 234.259 1.057 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc2c1OCO2 ZINC001567502917 992054904 /nfs/dbraw/zinc/05/49/04/992054904.db2.gz JRPATZJJEQLQAR-UHFFFAOYSA-N 1 2 245.238 1.320 20 0 BDADLO C[C@@H](C(=O)N1CC2CCC1CC2)n1cc[nH+]c1 ZINC001320011151 992073770 /nfs/dbraw/zinc/07/37/70/992073770.db2.gz QJZCWZSZFBFEPY-UNXYVOJBSA-N 1 2 233.315 1.845 20 0 BDADLO COC[C@@H](C)C(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001567787131 992092877 /nfs/dbraw/zinc/09/28/77/992092877.db2.gz VQQBSVQGMSPJFN-LLVKDONJSA-N 1 2 240.347 1.036 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCC2OCCCO2)no1 ZINC001320104098 992106046 /nfs/dbraw/zinc/10/60/46/992106046.db2.gz HUADRFZPYLZRLC-MRVPVSSYSA-N 1 2 241.291 1.182 20 0 BDADLO CC(C)=CC[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC001261277199 992243516 /nfs/dbraw/zinc/24/35/16/992243516.db2.gz LIDGLPOBHIUBCF-UHFFFAOYSA-N 1 2 249.314 1.399 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)[nH]n2)[C@@H]1C ZINC001320633956 992281667 /nfs/dbraw/zinc/28/16/67/992281667.db2.gz RGGNYHNZGJDRJC-MWLCHTKSSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@@H]1C ZINC001320633956 992281680 /nfs/dbraw/zinc/28/16/80/992281680.db2.gz RGGNYHNZGJDRJC-MWLCHTKSSA-N 1 2 237.303 1.102 20 0 BDADLO CC(C)CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001569344226 992361810 /nfs/dbraw/zinc/36/18/10/992361810.db2.gz CVIRASSYRAXWIB-JTQLQIEISA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001569344226 992361826 /nfs/dbraw/zinc/36/18/26/992361826.db2.gz CVIRASSYRAXWIB-JTQLQIEISA-N 1 2 216.300 1.193 20 0 BDADLO CS[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569753568 992421326 /nfs/dbraw/zinc/42/13/26/992421326.db2.gz RMGOAMSENBVPQU-SECBINFHSA-N 1 2 239.344 1.225 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001570223279 992454343 /nfs/dbraw/zinc/45/43/43/992454343.db2.gz ZUMDTCUQKBYIID-VWYCJHECSA-N 1 2 233.315 1.647 20 0 BDADLO CC(=O)C1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001261914992 992578019 /nfs/dbraw/zinc/57/80/19/992578019.db2.gz UYSJRDUJFVOFEQ-JTQLQIEISA-N 1 2 249.314 1.272 20 0 BDADLO CC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC001262013455 992601584 /nfs/dbraw/zinc/60/15/84/992601584.db2.gz CPSGLXOPTUVLDD-AWEZNQCLSA-N 1 2 243.310 1.688 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)N=S1(=O)CC[NH2+]CC1 ZINC001573672581 992671944 /nfs/dbraw/zinc/67/19/44/992671944.db2.gz JVSRRCJQKHHBLJ-ZJUUUORDSA-N 1 2 246.376 1.266 20 0 BDADLO C[NH2+]CC(=O)O[C@@H](C)c1cc(C)ccc1OC ZINC001573895165 992753827 /nfs/dbraw/zinc/75/38/27/992753827.db2.gz CYHDYCDZKFRALV-JTQLQIEISA-N 1 2 237.299 1.827 20 0 BDADLO CO[C@H]1C[NH2+][C@H](C(=O)Oc2cc(C)ccc2C)C1 ZINC001574011176 992793618 /nfs/dbraw/zinc/79/36/18/992793618.db2.gz XPCZYWGHAFZGFQ-NEPJUHHUSA-N 1 2 249.310 1.586 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@H]1CCCC[C@H]1O ZINC001262240853 992816383 /nfs/dbraw/zinc/81/63/83/992816383.db2.gz KZMAUUHHJMOZMU-NXEZZACHSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@H]1CCCC[C@H]1O ZINC001262240853 992816391 /nfs/dbraw/zinc/81/63/91/992816391.db2.gz KZMAUUHHJMOZMU-NXEZZACHSA-N 1 2 241.360 1.521 20 0 BDADLO Fc1cccc(CC[N@H+]2CCc3n[nH]nc3C2)c1 ZINC001262272889 992830504 /nfs/dbraw/zinc/83/05/04/992830504.db2.gz IJANFVPDNMGBMB-UHFFFAOYSA-N 1 2 246.289 1.545 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332923 992841037 /nfs/dbraw/zinc/84/10/37/992841037.db2.gz OXUXMLVUMJBMKA-RYUDHWBXSA-N 1 2 238.335 1.468 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332923 992841040 /nfs/dbraw/zinc/84/10/40/992841040.db2.gz OXUXMLVUMJBMKA-RYUDHWBXSA-N 1 2 238.335 1.468 20 0 BDADLO C[C@H](C(=O)N1CCCC(=O)[C@@H]1C)n1cc[nH+]c1 ZINC001262342844 992846879 /nfs/dbraw/zinc/84/68/79/992846879.db2.gz CQHPRZWXFXJXNL-VHSXEESVSA-N 1 2 235.287 1.024 20 0 BDADLO Cc1noc(C)c1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001262554449 992902768 /nfs/dbraw/zinc/90/27/68/992902768.db2.gz GOOQAALFGSGHQT-ZCFIWIBFSA-N 1 2 233.218 1.212 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccns1 ZINC001262619651 992968057 /nfs/dbraw/zinc/96/80/57/992968057.db2.gz FZLXEDWNEWJNCS-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)OCC1CC1 ZINC001262805017 993069473 /nfs/dbraw/zinc/06/94/73/993069473.db2.gz BSQGTGOZZOHTSE-NSHDSACASA-N 1 2 248.326 1.874 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCOC1 ZINC001262805706 993069846 /nfs/dbraw/zinc/06/98/46/993069846.db2.gz ZXAMCVLPVYDLMH-SNVBAGLBSA-N 1 2 220.272 1.095 20 0 BDADLO Cc1nccnc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001262836101 993082511 /nfs/dbraw/zinc/08/25/11/993082511.db2.gz PKORUCLCJRDFQU-VIFPVBQESA-N 1 2 245.286 1.571 20 0 BDADLO CC(C)[NH+]1CC(Nc2nc(Cl)ncc2F)C1 ZINC000379084407 993219189 /nfs/dbraw/zinc/21/91/89/993219189.db2.gz CMWINDWHRKUWPZ-UHFFFAOYSA-N 1 2 244.701 1.196 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(F)cc1N ZINC000380143263 993314815 /nfs/dbraw/zinc/31/48/15/993314815.db2.gz QKIZAIOJMQIRJN-UHFFFAOYSA-N 1 2 248.261 1.369 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCCCc1c[nH+]cn1C ZINC001263510504 993354429 /nfs/dbraw/zinc/35/44/29/993354429.db2.gz FPXVPCXKEHBMCB-LLVKDONJSA-N 1 2 242.294 1.890 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2CC3(CCO3)C2)c1 ZINC000382367578 993455719 /nfs/dbraw/zinc/45/57/19/993455719.db2.gz CKRILMXXHJAAOT-UHFFFAOYSA-N 1 2 225.679 1.296 20 0 BDADLO CC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC000383508034 993495618 /nfs/dbraw/zinc/49/56/18/993495618.db2.gz IUHRIRMCQLKURJ-UHFFFAOYSA-N 1 2 230.205 1.003 20 0 BDADLO CCCC[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001263922143 993607796 /nfs/dbraw/zinc/60/77/96/993607796.db2.gz QTVIOUVMDVPWSE-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(F)F ZINC001263997300 993640163 /nfs/dbraw/zinc/64/01/63/993640163.db2.gz LWXBOVXVBNTADS-ZETCQYMHSA-N 1 2 231.246 1.360 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(F)F ZINC001263997300 993640186 /nfs/dbraw/zinc/64/01/86/993640186.db2.gz LWXBOVXVBNTADS-ZETCQYMHSA-N 1 2 231.246 1.360 20 0 BDADLO CN(C)c1ccc(Nc2ccc(Cl)nn2)c[nH+]1 ZINC000387222530 993706746 /nfs/dbraw/zinc/70/67/46/993706746.db2.gz SWFIRQJHSDRQIZ-UHFFFAOYSA-N 1 2 249.705 1.757 20 0 BDADLO Cc1ncc(CN(C)c2cc(N)nc[nH+]2)s1 ZINC000390356833 993782407 /nfs/dbraw/zinc/78/24/07/993782407.db2.gz QPIBASIYCJARQH-UHFFFAOYSA-N 1 2 235.316 1.460 20 0 BDADLO COCC(COC)[NH2+][C@H](C)c1nnc(C)s1 ZINC000391981819 993828803 /nfs/dbraw/zinc/82/88/03/993828803.db2.gz RCXCADSXBCEYKO-SSDOTTSWSA-N 1 2 245.348 1.159 20 0 BDADLO CC[C@@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CCF ZINC001265651589 993890085 /nfs/dbraw/zinc/89/00/85/993890085.db2.gz MRVWEXIUYXIDOS-GHMZBOCLSA-N 1 2 248.317 1.675 20 0 BDADLO CC[C@@H](F)C(=O)NC[C@H]1CCCC[N@H+]1CCF ZINC001265651589 993890090 /nfs/dbraw/zinc/89/00/90/993890090.db2.gz MRVWEXIUYXIDOS-GHMZBOCLSA-N 1 2 248.317 1.675 20 0 BDADLO Cc1nc(C[NH2+]CCNC(=O)C(C)C)oc1C ZINC000393022125 993894893 /nfs/dbraw/zinc/89/48/93/993894893.db2.gz CPZNYCBAFLSRAQ-UHFFFAOYSA-N 1 2 239.319 1.153 20 0 BDADLO Oc1ccc(C[N@@H+]2CCC[C@@H](F)C2)nc1 ZINC000701674110 993902376 /nfs/dbraw/zinc/90/23/76/993902376.db2.gz OPVDDOIGYHPVMK-SECBINFHSA-N 1 2 210.252 1.721 20 0 BDADLO Oc1ccc(C[N@H+]2CCC[C@@H](F)C2)nc1 ZINC000701674110 993902389 /nfs/dbraw/zinc/90/23/89/993902389.db2.gz OPVDDOIGYHPVMK-SECBINFHSA-N 1 2 210.252 1.721 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(C)o1 ZINC000701848495 993921677 /nfs/dbraw/zinc/92/16/77/993921677.db2.gz OJAHAFSOADBJFP-LBPRGKRZSA-N 1 2 222.288 1.927 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(C)o1 ZINC000701848495 993921693 /nfs/dbraw/zinc/92/16/93/993921693.db2.gz OJAHAFSOADBJFP-LBPRGKRZSA-N 1 2 222.288 1.927 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](F)[C@@H](F)C2)c[nH+]1 ZINC000724780915 994074620 /nfs/dbraw/zinc/07/46/20/994074620.db2.gz RUCJNSPBLNASAE-DTORHVGOSA-N 1 2 201.220 1.210 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](F)[C@@H](F)C2)[nH+]1 ZINC000724780915 994074627 /nfs/dbraw/zinc/07/46/27/994074627.db2.gz RUCJNSPBLNASAE-DTORHVGOSA-N 1 2 201.220 1.210 20 0 BDADLO CC[NH2+][C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001281714286 994174246 /nfs/dbraw/zinc/17/42/46/994174246.db2.gz RRQTXURTLJLEOU-NKWVEPMBSA-N 1 2 244.232 1.391 20 0 BDADLO CC[NH2+][C@@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001281714286 994174257 /nfs/dbraw/zinc/17/42/57/994174257.db2.gz RRQTXURTLJLEOU-NKWVEPMBSA-N 1 2 244.232 1.391 20 0 BDADLO C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(C(=O)[O-])co1 ZINC001593207344 994217480 /nfs/dbraw/zinc/21/74/80/994217480.db2.gz CJACAVIGESZEJX-GMSGAONNSA-N 1 2 238.287 1.366 20 0 BDADLO C/C(=C\c1ccco1)C(=O)NCc1c[nH+]cn1C ZINC001288040768 994457989 /nfs/dbraw/zinc/45/79/89/994457989.db2.gz LZSHCUAQWUYXRL-UXBLZVDNSA-N 1 2 245.282 1.733 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@@H]4COC[C@@H]4C3)c12 ZINC001333776969 994516236 /nfs/dbraw/zinc/51/62/36/994516236.db2.gz MCQDJDVUOARJEJ-MNOVXSKESA-N 1 2 244.298 1.202 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCOc1ccccc1 ZINC001290128174 994525004 /nfs/dbraw/zinc/52/50/04/994525004.db2.gz FEGZOZYTXMXGNO-UHFFFAOYSA-N 1 2 245.282 1.147 20 0 BDADLO CCc1nccc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC001333860299 994534013 /nfs/dbraw/zinc/53/40/13/994534013.db2.gz MEOLDIAFEOMWTG-JTQLQIEISA-N 1 2 231.303 1.736 20 0 BDADLO CCCn1cc(NC(=O)[C@@H]2CC[N@@H+]2CC)cn1 ZINC001293955326 994675657 /nfs/dbraw/zinc/67/56/57/994675657.db2.gz GFJJCHFSTWUFTH-NSHDSACASA-N 1 2 236.319 1.326 20 0 BDADLO CCCn1cc(NC(=O)[C@@H]2CC[N@H+]2CC)cn1 ZINC001293955326 994675662 /nfs/dbraw/zinc/67/56/62/994675662.db2.gz GFJJCHFSTWUFTH-NSHDSACASA-N 1 2 236.319 1.326 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C=CCCC1 ZINC001294731637 994709275 /nfs/dbraw/zinc/70/92/75/994709275.db2.gz VHNANYGVIWIULE-JTQLQIEISA-N 1 2 219.288 1.486 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCCC1=O ZINC001296581922 994819185 /nfs/dbraw/zinc/81/91/85/994819185.db2.gz AUHCMXCCGSKDGL-NSHDSACASA-N 1 2 249.314 1.149 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ncc[nH]1 ZINC001296812333 994835690 /nfs/dbraw/zinc/83/56/90/994835690.db2.gz DXLYDLKSRIAMSD-SECBINFHSA-N 1 2 247.302 1.251 20 0 BDADLO CC(C)c1[nH]cc(CNc2ncc(C=O)cn2)[nH+]1 ZINC001307219089 994839728 /nfs/dbraw/zinc/83/97/28/994839728.db2.gz HUBJICSLSAGGOZ-UHFFFAOYSA-N 1 2 245.286 1.748 20 0 BDADLO CC(C)c1[nH]c(CNc2ncc(C=O)cn2)c[nH+]1 ZINC001307219089 994839735 /nfs/dbraw/zinc/83/97/35/994839735.db2.gz HUBJICSLSAGGOZ-UHFFFAOYSA-N 1 2 245.286 1.748 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2cnn(C)c2)[nH+]1 ZINC001304105303 995188026 /nfs/dbraw/zinc/18/80/26/995188026.db2.gz PJNWQEWPHFNNFG-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2cnn(C)c2)c[nH+]1 ZINC001304105303 995188031 /nfs/dbraw/zinc/18/80/31/995188031.db2.gz PJNWQEWPHFNNFG-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001337509739 995203256 /nfs/dbraw/zinc/20/32/56/995203256.db2.gz MLWKPGZGEPHLRX-SMDDNHRTSA-N 1 2 246.310 1.485 20 0 BDADLO Cc1cncnc1NCc1ccc[nH+]c1N ZINC001307124008 995290512 /nfs/dbraw/zinc/29/05/12/995290512.db2.gz ZKUPALYJWYDSHI-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO O=S1(=O)N=C(Cn2cc[nH+]c2)c2ccccc21 ZINC001307538298 995398204 /nfs/dbraw/zinc/39/82/04/995398204.db2.gz FADAOEKTSMMPHD-UHFFFAOYSA-N 1 2 247.279 1.075 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001307597378 995412040 /nfs/dbraw/zinc/41/20/40/995412040.db2.gz NRHTYVPJXOXYDH-YIZRAAEISA-N 1 2 233.258 1.525 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001307597378 995412045 /nfs/dbraw/zinc/41/20/45/995412045.db2.gz NRHTYVPJXOXYDH-YIZRAAEISA-N 1 2 233.258 1.525 20 0 BDADLO O=C(NCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1)C1CC1 ZINC001307723410 995446092 /nfs/dbraw/zinc/44/60/92/995446092.db2.gz DVAFZHFPZLPIJR-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO O=C(NCC[N@H+]1CCC[C@@H]1c1cc[nH]n1)C1CC1 ZINC001307723410 995446097 /nfs/dbraw/zinc/44/60/97/995446097.db2.gz DVAFZHFPZLPIJR-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO Cc1ccnc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC001307832864 995476384 /nfs/dbraw/zinc/47/63/84/995476384.db2.gz VDZRWFOXVIHYRY-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO CCCn1cc(CNc2c[nH]c[nH+]2)cn1 ZINC000309058057 349438935 /nfs/dbraw/zinc/43/89/35/349438935.db2.gz VHSSKRHYIAOQCQ-UHFFFAOYSA-N 1 2 205.265 1.628 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H]2CCOC2)[nH]1 ZINC000408374805 398142171 /nfs/dbraw/zinc/14/21/71/398142171.db2.gz MTGWKTFTDFILFF-VIFPVBQESA-N 1 2 224.308 1.149 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCOC2)[nH]1 ZINC000408374805 398142175 /nfs/dbraw/zinc/14/21/75/398142175.db2.gz MTGWKTFTDFILFF-VIFPVBQESA-N 1 2 224.308 1.149 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320140 398143283 /nfs/dbraw/zinc/14/32/83/398143283.db2.gz FUIZQKGDOIDAGK-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320140 398143287 /nfs/dbraw/zinc/14/32/87/398143287.db2.gz FUIZQKGDOIDAGK-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000112600142 398145635 /nfs/dbraw/zinc/14/56/35/398145635.db2.gz IIJDFRIVIHOLGG-UHFFFAOYSA-N 1 2 223.341 1.559 20 0 BDADLO Clc1cnc(C[NH2+]C2COCCOC2)s1 ZINC000389891000 398145688 /nfs/dbraw/zinc/14/56/88/398145688.db2.gz VYGPADHOJLEOJO-UHFFFAOYSA-N 1 2 248.735 1.302 20 0 BDADLO CC(C)[N@@H+](Cc1cn(C)nn1)Cc1ccco1 ZINC000336700522 187321322 /nfs/dbraw/zinc/32/13/22/187321322.db2.gz AUQBRYQDOQQUHE-UHFFFAOYSA-N 1 2 234.303 1.819 20 0 BDADLO CC(C)[N@H+](Cc1cn(C)nn1)Cc1ccco1 ZINC000336700522 187321324 /nfs/dbraw/zinc/32/13/24/187321324.db2.gz AUQBRYQDOQQUHE-UHFFFAOYSA-N 1 2 234.303 1.819 20 0 BDADLO CO[C@@H](C)c1nsc(-n2cc[nH+]c2)n1 ZINC000306254228 136213510 /nfs/dbraw/zinc/21/35/10/136213510.db2.gz LGUHSMWKNWTTCE-LURJTMIESA-N 1 2 210.262 1.431 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]1C ZINC000246127872 398147563 /nfs/dbraw/zinc/14/75/63/398147563.db2.gz QCOYJUGKIKESJB-CMPLNLGQSA-N 1 2 234.299 1.780 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]1C ZINC000246127872 398147567 /nfs/dbraw/zinc/14/75/67/398147567.db2.gz QCOYJUGKIKESJB-CMPLNLGQSA-N 1 2 234.299 1.780 20 0 BDADLO CCc1nc(C[N@H+](CCOC)CC(C)C)no1 ZINC000065431508 136212518 /nfs/dbraw/zinc/21/25/18/136212518.db2.gz IQEYWKIARCHYFB-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO CCc1nc(C[N@@H+](CCOC)CC(C)C)no1 ZINC000065431508 136212519 /nfs/dbraw/zinc/21/25/19/136212519.db2.gz IQEYWKIARCHYFB-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncccc3C2)on1 ZINC000366363790 178003878 /nfs/dbraw/zinc/00/38/78/178003878.db2.gz WKUDIQYUSJZNNT-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncccc3C2)on1 ZINC000366363790 178003880 /nfs/dbraw/zinc/00/38/80/178003880.db2.gz WKUDIQYUSJZNNT-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cs1 ZINC000335550908 178006493 /nfs/dbraw/zinc/00/64/93/178006493.db2.gz HKZQBHKMRSIFCS-SKDRFNHKSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cs1 ZINC000335550908 178006495 /nfs/dbraw/zinc/00/64/95/178006495.db2.gz HKZQBHKMRSIFCS-SKDRFNHKSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)nn1C ZINC000336696785 178006769 /nfs/dbraw/zinc/00/67/69/178006769.db2.gz GVZSGJCHIRJJRX-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)nn1C ZINC000336696785 178006771 /nfs/dbraw/zinc/00/67/71/178006771.db2.gz GVZSGJCHIRJJRX-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1ncc(C[NH2+]CC(C)(F)F)cn1 ZINC000378727354 346816985 /nfs/dbraw/zinc/81/69/85/346816985.db2.gz JGQXXCJBKSZVPH-UHFFFAOYSA-N 1 2 201.220 1.530 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C(F)F ZINC000390071805 398157888 /nfs/dbraw/zinc/15/78/88/398157888.db2.gz MBFCJJPJWYQHPR-YFKPBYRVSA-N 1 2 227.218 1.429 20 0 BDADLO Cc1cc(C[NH2+]CC(F)(F)CO)cc(C)c1O ZINC000228648388 178020488 /nfs/dbraw/zinc/02/04/88/178020488.db2.gz WZCMZYNFASFRHG-UHFFFAOYSA-N 1 2 245.269 1.726 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)n2)ccc1F ZINC000290062225 178027054 /nfs/dbraw/zinc/02/70/54/178027054.db2.gz HKGJTZDNOPVYRV-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)ccn1 ZINC000527537518 398171667 /nfs/dbraw/zinc/17/16/67/398171667.db2.gz CNASDJJVFKQLNZ-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)ccn1 ZINC000527537518 398171669 /nfs/dbraw/zinc/17/16/69/398171669.db2.gz CNASDJJVFKQLNZ-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[NH2+][C@H](CCO)c2ccco2)on1 ZINC000274446812 178037884 /nfs/dbraw/zinc/03/78/84/178037884.db2.gz UKJPEEVKWIJJOE-LLVKDONJSA-N 1 2 236.271 1.789 20 0 BDADLO CCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882092 398161988 /nfs/dbraw/zinc/16/19/88/398161988.db2.gz KCYUNRVWCSEYOE-LLVKDONJSA-N 1 2 209.293 1.203 20 0 BDADLO CCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882092 398161993 /nfs/dbraw/zinc/16/19/93/398161993.db2.gz KCYUNRVWCSEYOE-LLVKDONJSA-N 1 2 209.293 1.203 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1[C@H]1C=CCCC1 ZINC000649883302 398162353 /nfs/dbraw/zinc/16/23/53/398162353.db2.gz PPJFPWJAEMOPNU-GXTWGEPZSA-N 1 2 247.342 1.902 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1[C@H]1C=CCCC1 ZINC000649883302 398162360 /nfs/dbraw/zinc/16/23/60/398162360.db2.gz PPJFPWJAEMOPNU-GXTWGEPZSA-N 1 2 247.342 1.902 20 0 BDADLO CCc1cccc(OCC[N@@H+]2CCNC(=O)C2)c1 ZINC000072823092 398187870 /nfs/dbraw/zinc/18/78/70/398187870.db2.gz FGBAFOKNVUVMHV-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO CCc1cccc(OCC[N@H+]2CCNC(=O)C2)c1 ZINC000072823092 398187875 /nfs/dbraw/zinc/18/78/75/398187875.db2.gz FGBAFOKNVUVMHV-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO Cc1cc(N(C)C2CC(O)C2)nc(C2CC2)[nH+]1 ZINC000353273954 178096846 /nfs/dbraw/zinc/09/68/46/178096846.db2.gz FHROGBWUNPIMKM-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000429280842 192027215 /nfs/dbraw/zinc/02/72/15/192027215.db2.gz SAVBZLNUBYBQAD-DGCLKSJQSA-N 1 2 240.347 1.201 20 0 BDADLO CC[C@@H]1CC[N@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000429280842 192027217 /nfs/dbraw/zinc/02/72/17/192027217.db2.gz SAVBZLNUBYBQAD-DGCLKSJQSA-N 1 2 240.347 1.201 20 0 BDADLO C[C@@H]1CC[C@H](CNc2nc[nH+]c(N)c2Cl)O1 ZINC000397912937 488171147 /nfs/dbraw/zinc/17/11/47/488171147.db2.gz FGQPQBXJCQQYDY-RNFRBKRXSA-N 1 2 242.710 1.114 20 0 BDADLO C[C@@H]1CC[C@H](CNc2[nH+]cnc(N)c2Cl)O1 ZINC000397912937 488171150 /nfs/dbraw/zinc/17/11/50/488171150.db2.gz FGQPQBXJCQQYDY-RNFRBKRXSA-N 1 2 242.710 1.114 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cncnc1 ZINC000271004908 538923272 /nfs/dbraw/zinc/92/32/72/538923272.db2.gz MXTRJIAECUIHFK-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cncnc1 ZINC000271004908 538923273 /nfs/dbraw/zinc/92/32/73/538923273.db2.gz MXTRJIAECUIHFK-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO Cn1c[nH+]cc1Cc1nc2cccnc2c(=O)[nH]1 ZINC000491846181 538922431 /nfs/dbraw/zinc/92/24/31/538922431.db2.gz ICYFYQUNXAUWNU-UHFFFAOYSA-N 1 2 241.254 1.055 20 0 BDADLO Cc1cc(N2CCCOCC2)nc(C2CC2)[nH+]1 ZINC000363175889 178113750 /nfs/dbraw/zinc/11/37/50/178113750.db2.gz BZCKPQJIZUKLFY-UHFFFAOYSA-N 1 2 233.315 1.889 20 0 BDADLO CC[N@H+](CCO)[C@@H](C)c1nc(C(C)C)no1 ZINC000304233804 398185440 /nfs/dbraw/zinc/18/54/40/398185440.db2.gz JLJZLVREJPSCBX-VIFPVBQESA-N 1 2 227.308 1.568 20 0 BDADLO CC[N@@H+](CCO)[C@@H](C)c1nc(C(C)C)no1 ZINC000304233804 398185442 /nfs/dbraw/zinc/18/54/42/398185442.db2.gz JLJZLVREJPSCBX-VIFPVBQESA-N 1 2 227.308 1.568 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H](O)C2CC2)cc[nH+]1 ZINC000271091603 178139492 /nfs/dbraw/zinc/13/94/92/178139492.db2.gz UXVKNPPQMNUUDX-LLVKDONJSA-N 1 2 235.287 1.282 20 0 BDADLO CCn1cc[nH+]c1CN(C)[C@@H](C)C[S@](C)=O ZINC000185224163 136219633 /nfs/dbraw/zinc/21/96/33/136219633.db2.gz OYBIZWSDGNJADH-QFYYESIMSA-N 1 2 243.376 1.102 20 0 BDADLO C(C[N@@H+]1CCOCC12CC2)O[C@@H]1CCCCO1 ZINC000338591311 187327140 /nfs/dbraw/zinc/32/71/40/187327140.db2.gz FSLFNQOTWULTKI-GFCCVEGCSA-N 1 2 241.331 1.394 20 0 BDADLO C(C[N@H+]1CCOCC12CC2)O[C@@H]1CCCCO1 ZINC000338591311 187327142 /nfs/dbraw/zinc/32/71/42/187327142.db2.gz FSLFNQOTWULTKI-GFCCVEGCSA-N 1 2 241.331 1.394 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CCCC2)on1 ZINC000033827816 178131387 /nfs/dbraw/zinc/13/13/87/178131387.db2.gz LMULZVFJORELKR-UHFFFAOYSA-N 1 2 209.249 1.017 20 0 BDADLO Cc1cc(NC(=O)C[C@@](C)(O)C2CC2)cc[nH+]1 ZINC000270014242 178133914 /nfs/dbraw/zinc/13/39/14/178133914.db2.gz BQIXVLCQVDEYHU-CYBMUJFWSA-N 1 2 234.299 1.880 20 0 BDADLO CCc1cc(N[C@H]2CC[C@@H](CO)C2)nc[nH+]1 ZINC000649407326 398207963 /nfs/dbraw/zinc/20/79/63/398207963.db2.gz GXGNXARPTQDUQO-KOLCDFICSA-N 1 2 221.304 1.612 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CC[C@@H](O)C2)cc[nH+]1 ZINC000189824830 178140573 /nfs/dbraw/zinc/14/05/73/178140573.db2.gz LCCPDYPLVAAKIY-ZYHUDNBSSA-N 1 2 249.314 1.673 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CCOC2)cc[nH+]1 ZINC000119771890 178141417 /nfs/dbraw/zinc/14/14/17/178141417.db2.gz UVBOYSITZOKSLW-JTQLQIEISA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc[nH+]1 ZINC000271127570 178142078 /nfs/dbraw/zinc/14/20/78/178142078.db2.gz LPCDXHMQLQRSMU-UMSPYCQHSA-N 1 2 249.314 1.815 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCCO2)cc[nH+]1 ZINC000154660472 178145687 /nfs/dbraw/zinc/14/56/87/178145687.db2.gz FYUPLBLCVADQHQ-NSHDSACASA-N 1 2 220.272 1.898 20 0 BDADLO C[C@@H](C[N@@H+]1CC[C@@H](C)[C@H](F)C1)S(C)(=O)=O ZINC000649416338 398216588 /nfs/dbraw/zinc/21/65/88/398216588.db2.gz NBBNSHISNLCSFD-KXUCPTDWSA-N 1 2 237.340 1.099 20 0 BDADLO C[C@@H](C[N@H+]1CC[C@@H](C)[C@H](F)C1)S(C)(=O)=O ZINC000649416338 398216592 /nfs/dbraw/zinc/21/65/92/398216592.db2.gz NBBNSHISNLCSFD-KXUCPTDWSA-N 1 2 237.340 1.099 20 0 BDADLO Cc1cc(NCCn2cc[nH+]c2)nc(C2CC2)n1 ZINC000265377601 178165280 /nfs/dbraw/zinc/16/52/80/178165280.db2.gz QHWLZECQSOALTL-UHFFFAOYSA-N 1 2 243.314 1.971 20 0 BDADLO Cc1[nH+]c2ccccn2c1CSCC(N)=O ZINC000413013211 398211003 /nfs/dbraw/zinc/21/10/03/398211003.db2.gz AVKJIASRKMDBSY-UHFFFAOYSA-N 1 2 235.312 1.361 20 0 BDADLO Cc1cc(NCCCc2nc[nH]n2)nc(C)[nH+]1 ZINC000080588423 178160650 /nfs/dbraw/zinc/16/06/50/178160650.db2.gz GBKKJFSIDZWSSA-UHFFFAOYSA-N 1 2 232.291 1.256 20 0 BDADLO Cc1cc(NCCc2ccc(CO)cc2)nc[nH+]1 ZINC000302033129 178163668 /nfs/dbraw/zinc/16/36/68/178163668.db2.gz SUCSSTSCGCNVBV-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C)C(C)C ZINC000339574235 187329999 /nfs/dbraw/zinc/32/99/99/187329999.db2.gz OMWFJSSCAKGRLX-GIPNMCIBSA-N 1 2 240.347 1.056 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C)C(C)C ZINC000339574235 187330001 /nfs/dbraw/zinc/33/00/01/187330001.db2.gz OMWFJSSCAKGRLX-GIPNMCIBSA-N 1 2 240.347 1.056 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@H]2CCO)nc[nH+]1 ZINC000302430175 178189045 /nfs/dbraw/zinc/18/90/45/178189045.db2.gz KWVJFELELCCWDX-QWRGUYRKSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1cc(NC[C@@H]2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000310260733 178166731 /nfs/dbraw/zinc/16/67/31/178166731.db2.gz GHZOAPAHZNWSQJ-VXGBXAGGSA-N 1 2 235.331 1.996 20 0 BDADLO Cc1cc(NC[C@H](O)C(C)(C)C)nc[nH+]1 ZINC000301247745 178168412 /nfs/dbraw/zinc/16/84/12/178168412.db2.gz QSHUVGYZVONKKP-VIFPVBQESA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCCCn1cc[nH+]c1 ZINC000576456167 365599819 /nfs/dbraw/zinc/59/98/19/365599819.db2.gz ODSRAFVEOALXOT-UHFFFAOYSA-N 1 2 246.314 1.730 20 0 BDADLO Cc1cc(NC[C@](C)(O)C(F)(F)F)nc[nH+]1 ZINC000309712766 178170772 /nfs/dbraw/zinc/17/07/72/178170772.db2.gz RKNZNVCVQNTDJD-QMMMGPOBSA-N 1 2 235.209 1.510 20 0 BDADLO Cc1cc(NCc2ccc(C(N)=O)o2)nc[nH+]1 ZINC000301473964 178171473 /nfs/dbraw/zinc/17/14/73/178171473.db2.gz MNAWTOFRFWFSKF-UHFFFAOYSA-N 1 2 232.243 1.089 20 0 BDADLO F[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000649419741 398220727 /nfs/dbraw/zinc/22/07/27/398220727.db2.gz UBJHLODMBPGIKH-VIFPVBQESA-N 1 2 233.250 1.211 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@@H]2CCO)nc[nH+]1 ZINC000302430173 178189284 /nfs/dbraw/zinc/18/92/84/178189284.db2.gz KWVJFELELCCWDX-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO Cc1cc(NCc2nncn2C2CC2)nc[nH+]1 ZINC000301233893 178176708 /nfs/dbraw/zinc/17/67/08/178176708.db2.gz KPLCJZLXEAARFA-UHFFFAOYSA-N 1 2 230.275 1.324 20 0 BDADLO Cc1cc(NCc2nnc(C3CC3)o2)nc[nH+]1 ZINC000302581672 178177479 /nfs/dbraw/zinc/17/74/79/178177479.db2.gz UAVRGKOOEZDYSY-UHFFFAOYSA-N 1 2 231.259 1.658 20 0 BDADLO CC(C)[C@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000264329824 187331916 /nfs/dbraw/zinc/33/19/16/187331916.db2.gz SMFPZRCNAMSMMO-SNVBAGLBSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cc(N[C@@H](C)CO)nc(-c2ccncc2)[nH+]1 ZINC000112073733 178179251 /nfs/dbraw/zinc/17/92/51/178179251.db2.gz JZYQIGUMASTBMF-JTQLQIEISA-N 1 2 244.298 1.640 20 0 BDADLO Cc1cc(N[C@@H](C)CO)nc(C(C)C)[nH+]1 ZINC000035663824 178179317 /nfs/dbraw/zinc/17/93/17/178179317.db2.gz XLZFBVUAPMOQIV-VIFPVBQESA-N 1 2 209.293 1.701 20 0 BDADLO Cc1cc(N[C@@H](C)c2nnc3n2CCC3)nc[nH+]1 ZINC000302026674 178180758 /nfs/dbraw/zinc/18/07/58/178180758.db2.gz HDIYIKUKNWQLLF-VIFPVBQESA-N 1 2 244.302 1.496 20 0 BDADLO Cc1cc(N[C@H](C)c2ncn(C)n2)nc[nH+]1 ZINC000309805268 178187515 /nfs/dbraw/zinc/18/75/15/178187515.db2.gz SALRKEAULGMZDT-MRVPVSSYSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1cc(N[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000052005928 178188262 /nfs/dbraw/zinc/18/82/62/178188262.db2.gz WZKRBXFYYKCEGV-UWVGGRQHSA-N 1 2 207.277 1.500 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1CCCC1 ZINC000276373488 538932607 /nfs/dbraw/zinc/93/26/07/538932607.db2.gz CKNNPVOLAZMFRZ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1CCCC1 ZINC000276373488 538932608 /nfs/dbraw/zinc/93/26/08/538932608.db2.gz CKNNPVOLAZMFRZ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000276489189 538932640 /nfs/dbraw/zinc/93/26/40/538932640.db2.gz ULNUMXABXJANGB-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000276489189 538932641 /nfs/dbraw/zinc/93/26/41/538932641.db2.gz ULNUMXABXJANGB-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO COC1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC000276459389 538932293 /nfs/dbraw/zinc/93/22/93/538932293.db2.gz ORPOYKGBAWUAKF-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO COC1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC000276459389 538932294 /nfs/dbraw/zinc/93/22/94/538932294.db2.gz ORPOYKGBAWUAKF-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO Cc1cc([C@@H](C)NCc2[nH+]ccn2C)nn1C ZINC000337394848 178228554 /nfs/dbraw/zinc/22/85/54/178228554.db2.gz MVROWPWJOIBNAR-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nccn2C)nn1C ZINC000337394848 178228556 /nfs/dbraw/zinc/22/85/56/178228556.db2.gz MVROWPWJOIBNAR-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)no1 ZINC000336631900 178253600 /nfs/dbraw/zinc/25/36/00/178253600.db2.gz GGUFQVZYKYJBDJ-VHSXEESVSA-N 1 2 237.303 1.254 20 0 BDADLO CCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000279943425 538936777 /nfs/dbraw/zinc/93/67/77/538936777.db2.gz OGPORFYTYXVHRH-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000279943425 538936778 /nfs/dbraw/zinc/93/67/78/538936778.db2.gz OGPORFYTYXVHRH-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO O=c1c2c([nH]n1CC[NH+]1CCCCC1)CCCC2 ZINC000629942692 361783022 /nfs/dbraw/zinc/78/30/22/361783022.db2.gz OHNWXJSLRACVBK-LBPRGKRZSA-N 1 2 249.358 1.861 20 0 BDADLO C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280329306 538937353 /nfs/dbraw/zinc/93/73/53/538937353.db2.gz ZSZZYPNXEBKHGK-SECBINFHSA-N 1 2 207.277 1.353 20 0 BDADLO C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280329306 538937354 /nfs/dbraw/zinc/93/73/54/538937354.db2.gz ZSZZYPNXEBKHGK-SECBINFHSA-N 1 2 207.277 1.353 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CC(=O)NCC2CC2)no1 ZINC000280903551 178245995 /nfs/dbraw/zinc/24/59/95/178245995.db2.gz FCFFDNQMPGHXTH-VIFPVBQESA-N 1 2 237.303 1.160 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CC2(C)OCCO2)no1 ZINC000281101805 178246587 /nfs/dbraw/zinc/24/65/87/178246587.db2.gz VYDNTNRBAYNQSR-VIFPVBQESA-N 1 2 226.276 1.397 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2ccnn2C)nn1C ZINC000337416686 178251874 /nfs/dbraw/zinc/25/18/74/178251874.db2.gz ZPGOSSUVQLTFJU-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO C/C=C(\C=C\C(=O)NCc1[nH+]ccn1C)CC ZINC000268815398 187333665 /nfs/dbraw/zinc/33/36/65/187333665.db2.gz KDPUINPLQIESIR-IFQIRGPMSA-N 1 2 233.315 1.949 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000280948518 538938551 /nfs/dbraw/zinc/93/85/51/538938551.db2.gz RJJVZKCQLFVFIL-SNVBAGLBSA-N 1 2 223.320 1.845 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000280948518 538938553 /nfs/dbraw/zinc/93/85/53/538938553.db2.gz RJJVZKCQLFVFIL-SNVBAGLBSA-N 1 2 223.320 1.845 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1F ZINC000076418260 398239371 /nfs/dbraw/zinc/23/93/71/398239371.db2.gz YVJWFBREORQISA-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1F ZINC000076418260 398239378 /nfs/dbraw/zinc/23/93/78/398239378.db2.gz YVJWFBREORQISA-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO Cc1cc2[nH+]cn(CCOCCO)c2cc1C ZINC000040229457 178305033 /nfs/dbraw/zinc/30/50/33/178305033.db2.gz BLVZBJPKLNLPSV-UHFFFAOYSA-N 1 2 234.299 1.662 20 0 BDADLO Cc1cc2[nH+]cn(CC(=O)N3CCC3)c2cc1C ZINC000298487053 178306252 /nfs/dbraw/zinc/30/62/52/178306252.db2.gz BQHNPPJDRJGYOL-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ncc[nH]1 ZINC000286263012 538943745 /nfs/dbraw/zinc/94/37/45/538943745.db2.gz VDQCEEXSEUAJBW-NXEZZACHSA-N 1 2 235.287 1.777 20 0 BDADLO C[C@@H](N[C@H](CCO)c1ccco1)c1[nH]cc[nH+]1 ZINC000286263012 538943747 /nfs/dbraw/zinc/94/37/47/538943747.db2.gz VDQCEEXSEUAJBW-NXEZZACHSA-N 1 2 235.287 1.777 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280609524 178315358 /nfs/dbraw/zinc/31/53/58/178315358.db2.gz QGOQQTMOIAWZCH-JTQLQIEISA-N 1 2 232.287 1.338 20 0 BDADLO CC(C)Oc1nccnc1N(C)Cc1[nH]cc[nH+]1 ZINC000428133257 398258457 /nfs/dbraw/zinc/25/84/57/398258457.db2.gz XDMBYWGLRBJREC-UHFFFAOYSA-N 1 2 247.302 1.623 20 0 BDADLO CC[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000290607562 538946663 /nfs/dbraw/zinc/94/66/63/538946663.db2.gz JEMZVFZKDNOSLW-MRVPVSSYSA-N 1 2 210.281 1.018 20 0 BDADLO Cc1cn2nc(NCc3c[nH+]cn3C)sc2n1 ZINC000291199574 538947720 /nfs/dbraw/zinc/94/77/20/538947720.db2.gz UGSPKIFZELOBJG-UHFFFAOYSA-N 1 2 248.315 1.445 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000290894024 538947012 /nfs/dbraw/zinc/94/70/12/538947012.db2.gz UHJFQIRHOKZTPY-VHSXEESVSA-N 1 2 238.335 1.654 20 0 BDADLO Cc1ncc(C(=O)NCc2c[nH+]cn2C)s1 ZINC000291087653 538947032 /nfs/dbraw/zinc/94/70/32/538947032.db2.gz ADAVAFWJHQLBFQ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291344777 538947260 /nfs/dbraw/zinc/94/72/60/538947260.db2.gz WXZFNDQURRFCPM-ZJUUUORDSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]cn2C)cc1 ZINC000291395328 538947388 /nfs/dbraw/zinc/94/73/88/538947388.db2.gz IEJZMMOHFVJOCW-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000291154598 538947414 /nfs/dbraw/zinc/94/74/14/538947414.db2.gz HDFZUIDJGYWGFB-LLVKDONJSA-N 1 2 243.310 1.840 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH+]cn2C)on1 ZINC000291441365 538948045 /nfs/dbraw/zinc/94/80/45/538948045.db2.gz MKNPLIYBLDCVQV-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ncn(C)n2)n1 ZINC000391849704 398261960 /nfs/dbraw/zinc/26/19/60/398261960.db2.gz QDNOZBLBMSJSJL-VIFPVBQESA-N 1 2 247.302 1.075 20 0 BDADLO CCc1ccccc1C(=O)NCc1c[nH+]cn1C ZINC000291546128 538948184 /nfs/dbraw/zinc/94/81/84/538948184.db2.gz YGHGWUAWKJRMBM-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cn1 ZINC000041999137 178380250 /nfs/dbraw/zinc/38/02/50/178380250.db2.gz PNGBFCLNCYFQGJ-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC(C)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000335084780 136232766 /nfs/dbraw/zinc/23/27/66/136232766.db2.gz LWPQGJDHUDOUML-LLVKDONJSA-N 1 2 206.289 1.943 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000299364322 178393312 /nfs/dbraw/zinc/39/33/12/178393312.db2.gz PUVQLLFGBBFJIJ-UHFFFAOYSA-N 1 2 234.299 1.508 20 0 BDADLO FC(F)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000179033225 538954319 /nfs/dbraw/zinc/95/43/19/538954319.db2.gz FIVUNJMEHRZSIF-UHFFFAOYSA-N 1 2 230.262 1.255 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000357779405 398268359 /nfs/dbraw/zinc/26/83/59/398268359.db2.gz RFOFZFVOSRZZRF-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000180076107 538957183 /nfs/dbraw/zinc/95/71/83/538957183.db2.gz BXRSGWWGTNIFOQ-LDYMZIIASA-N 1 2 236.319 1.037 20 0 BDADLO CC(F)(F)C[NH2+]Cc1cnc2cnccn12 ZINC000378866826 346849538 /nfs/dbraw/zinc/84/95/38/346849538.db2.gz CRDPIRKMPGJAAG-UHFFFAOYSA-N 1 2 226.230 1.474 20 0 BDADLO Cc1c[nH]c(CN(C)[C@@H](C)C(=O)OC(C)C)[nH+]1 ZINC000600121267 342679123 /nfs/dbraw/zinc/67/91/23/342679123.db2.gz UIXVZPBDWUQBBT-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000600152365 342691733 /nfs/dbraw/zinc/69/17/33/342691733.db2.gz WZTVULLPEXGZOL-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000600152365 342691735 /nfs/dbraw/zinc/69/17/35/342691735.db2.gz WZTVULLPEXGZOL-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO OC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649483702 398281393 /nfs/dbraw/zinc/28/13/93/398281393.db2.gz VGZMMVJWUXSLEE-UHFFFAOYSA-N 1 2 235.331 1.176 20 0 BDADLO COCC1=CC[N@@H+]([C@H](C)c2nccc(N)n2)CC1 ZINC000583942453 342729489 /nfs/dbraw/zinc/72/94/89/342729489.db2.gz DYYSFWNUEULHSJ-SNVBAGLBSA-N 1 2 248.330 1.229 20 0 BDADLO COCC1=CC[N@H+]([C@H](C)c2nccc(N)n2)CC1 ZINC000583942453 342729490 /nfs/dbraw/zinc/72/94/90/342729490.db2.gz DYYSFWNUEULHSJ-SNVBAGLBSA-N 1 2 248.330 1.229 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@H]1CCOC1 ZINC000583332597 342735573 /nfs/dbraw/zinc/73/55/73/342735573.db2.gz MQARUSLOQUFKSB-NSHDSACASA-N 1 2 221.304 1.354 20 0 BDADLO CCC(CC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363937625 168385097 /nfs/dbraw/zinc/38/50/97/168385097.db2.gz HPYRBZRPZKCQQB-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO COC(=O)[C@@H](NCc1c[nH+]c[nH]1)C(C)(C)C ZINC000309652553 342776518 /nfs/dbraw/zinc/77/65/18/342776518.db2.gz OPBUQSZPUNBKLC-SECBINFHSA-N 1 2 225.292 1.087 20 0 BDADLO COC(=O)[C@@H](NCc1c[nH]c[nH+]1)C(C)(C)C ZINC000309652553 342776519 /nfs/dbraw/zinc/77/65/19/342776519.db2.gz OPBUQSZPUNBKLC-SECBINFHSA-N 1 2 225.292 1.087 20 0 BDADLO COCC[C@@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000634576752 342782167 /nfs/dbraw/zinc/78/21/67/342782167.db2.gz ZRRJAQQBCVWTQX-SNVBAGLBSA-N 1 2 223.320 1.985 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000639254073 398285717 /nfs/dbraw/zinc/28/57/17/398285717.db2.gz KCCARUNOAGDYSE-UHFFFAOYSA-N 1 2 235.283 1.024 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@]1(C)CC1(F)F ZINC000618595060 342795348 /nfs/dbraw/zinc/79/53/48/342795348.db2.gz MHSMKIUVADXVOL-JTQLQIEISA-N 1 2 243.257 1.422 20 0 BDADLO Cn1cnc2cc(C[NH+]3CC(C)(O)C3)ccc21 ZINC000639254101 398285898 /nfs/dbraw/zinc/28/58/98/398285898.db2.gz YWOMIWKQZYESFV-UHFFFAOYSA-N 1 2 231.299 1.140 20 0 BDADLO CC(=O)Nc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000639254168 398285944 /nfs/dbraw/zinc/28/59/44/398285944.db2.gz MDJVDIKLJIOIFV-UHFFFAOYSA-N 1 2 234.299 1.212 20 0 BDADLO C[C@]1(CNC(=O)CCc2[nH]cc[nH+]2)CC1(F)F ZINC000618595772 342797353 /nfs/dbraw/zinc/79/73/53/342797353.db2.gz HRONDQOVMZPCQA-SNVBAGLBSA-N 1 2 243.257 1.504 20 0 BDADLO C/C=C\CNc1cc(NCC2CC2)[nH+]cn1 ZINC000624655271 342809703 /nfs/dbraw/zinc/80/97/03/342809703.db2.gz PAFWTSYCJACJFG-IHWYPQMZSA-N 1 2 218.304 1.708 20 0 BDADLO C/C=C\CNc1cc(NCC2CC2)nc[nH+]1 ZINC000624655271 342809704 /nfs/dbraw/zinc/80/97/04/342809704.db2.gz PAFWTSYCJACJFG-IHWYPQMZSA-N 1 2 218.304 1.708 20 0 BDADLO C/C=C\CNc1cc(NC/C=C\C)[nH+]cn1 ZINC000624656679 342810464 /nfs/dbraw/zinc/81/04/64/342810464.db2.gz YHDHYXLWQOSBJR-GLIMQPGKSA-N 1 2 218.304 1.875 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)no1 ZINC000309724767 342812069 /nfs/dbraw/zinc/81/20/69/342812069.db2.gz CTXUDAWGVVADAN-RKDXNWHRSA-N 1 2 246.332 1.067 20 0 BDADLO c1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000624673553 342817224 /nfs/dbraw/zinc/81/72/24/342817224.db2.gz LEICSNJQTIFGPP-VXGBXAGGSA-N 1 2 245.326 1.755 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000624676278 342817749 /nfs/dbraw/zinc/81/77/49/342817749.db2.gz WQPNONKZIDSMRP-MNOVXSKESA-N 1 2 249.314 1.773 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCC2(CC2)CC1 ZINC000624722427 342821919 /nfs/dbraw/zinc/82/19/19/342821919.db2.gz IPRGOQBSGBMZAH-UHFFFAOYSA-N 1 2 248.330 1.838 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCC2(CC2)CC1 ZINC000624722427 342821920 /nfs/dbraw/zinc/82/19/20/342821920.db2.gz IPRGOQBSGBMZAH-UHFFFAOYSA-N 1 2 248.330 1.838 20 0 BDADLO CO[C@H]1C[C@H](Nc2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000624726619 342822870 /nfs/dbraw/zinc/82/28/70/342822870.db2.gz OZPCYQGTAARALX-KYZUINATSA-N 1 2 232.287 1.856 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)o1 ZINC000335464441 398289731 /nfs/dbraw/zinc/28/97/31/398289731.db2.gz DXRQZPDKVURXGJ-MGPLVRAMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)o1 ZINC000335464441 398289732 /nfs/dbraw/zinc/28/97/32/398289732.db2.gz DXRQZPDKVURXGJ-MGPLVRAMSA-N 1 2 241.356 1.931 20 0 BDADLO COCc1cnc(C[NH+]2CC3(CC3)C2)s1 ZINC000449371234 398292433 /nfs/dbraw/zinc/29/24/33/398292433.db2.gz RUDKHXOQBHUBCO-UHFFFAOYSA-N 1 2 224.329 1.885 20 0 BDADLO CC(=O)NC[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000624768199 342827935 /nfs/dbraw/zinc/82/79/35/342827935.db2.gz PAZPMDJCYHONKO-LBPRGKRZSA-N 1 2 248.330 1.280 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC2(C1)CCCO2 ZINC000624542987 344004573 /nfs/dbraw/zinc/00/45/73/344004573.db2.gz FYLLKDRLRVSHNA-UHFFFAOYSA-N 1 2 243.310 1.943 20 0 BDADLO C[C@H](N(C)C(=O)CCc1c[nH+]c[nH]1)C1(C)CC1 ZINC000189241032 538981762 /nfs/dbraw/zinc/98/17/62/538981762.db2.gz JPTHCYCLHPJIET-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](N(C)C(=O)CCc1c[nH]c[nH+]1)C1(C)CC1 ZINC000189241032 538981763 /nfs/dbraw/zinc/98/17/63/538981763.db2.gz JPTHCYCLHPJIET-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000189564612 538983701 /nfs/dbraw/zinc/98/37/01/538983701.db2.gz UICYQDPRSQMUQS-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000189564612 538983702 /nfs/dbraw/zinc/98/37/02/538983702.db2.gz UICYQDPRSQMUQS-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO CCC(C)(C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000381524941 539003132 /nfs/dbraw/zinc/00/31/32/539003132.db2.gz WENXIFGJAUTNPR-UHFFFAOYSA-N 1 2 223.324 1.847 20 0 BDADLO CCC(C)(C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000381524941 539003133 /nfs/dbraw/zinc/00/31/33/539003133.db2.gz WENXIFGJAUTNPR-UHFFFAOYSA-N 1 2 223.324 1.847 20 0 BDADLO C[C@@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CO1 ZINC000401435606 259323139 /nfs/dbraw/zinc/32/31/39/259323139.db2.gz YQBUNPJYUVVHPO-RITPCOANSA-N 1 2 228.683 1.302 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)CO1 ZINC000401435606 259323141 /nfs/dbraw/zinc/32/31/41/259323141.db2.gz YQBUNPJYUVVHPO-RITPCOANSA-N 1 2 228.683 1.302 20 0 BDADLO Cc1cccn2cc(CN3CCOC[C@H]3C)[nH+]c12 ZINC000051687477 539011465 /nfs/dbraw/zinc/01/14/65/539011465.db2.gz VJCTVPQYEXOMLU-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cs1 ZINC000634424734 361949024 /nfs/dbraw/zinc/94/90/24/361949024.db2.gz IDIHOZBJNBYETD-JTQLQIEISA-N 1 2 240.328 1.326 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cs1 ZINC000634424734 361949028 /nfs/dbraw/zinc/94/90/28/361949028.db2.gz IDIHOZBJNBYETD-JTQLQIEISA-N 1 2 240.328 1.326 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000390477620 539022352 /nfs/dbraw/zinc/02/23/52/539022352.db2.gz LJRYGJPOHBFWIO-BQBZGAKWSA-N 1 2 221.264 1.513 20 0 BDADLO CCc1nnc(CNc2cc(CC)[nH+]cn2)s1 ZINC000391944715 539027867 /nfs/dbraw/zinc/02/78/67/539027867.db2.gz AYLOUMCTOLIEAP-UHFFFAOYSA-N 1 2 249.343 1.487 20 0 BDADLO COC[C@@H]([NH2+]CC(F)F)[C@@H]1CCCO1 ZINC000389369383 539016018 /nfs/dbraw/zinc/01/60/18/539016018.db2.gz WTZYXFYBCJYTGH-SFYZADRCSA-N 1 2 209.236 1.035 20 0 BDADLO O[C@H]1CCCC[C@H]1c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755136 361993617 /nfs/dbraw/zinc/99/36/17/361993617.db2.gz TUXJPTYAWAZBQZ-ONGXEEELSA-N 1 2 247.302 1.068 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000562316783 323016098 /nfs/dbraw/zinc/01/60/98/323016098.db2.gz LVECPKAQUAHUHO-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC(C)[N@H+](CCO)Cc1noc(C2CCC2)n1 ZINC000625103071 342857243 /nfs/dbraw/zinc/85/72/43/342857243.db2.gz MSRFAJQENZBJSW-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1noc(C2CCC2)n1 ZINC000625103071 342857244 /nfs/dbraw/zinc/85/72/44/342857244.db2.gz MSRFAJQENZBJSW-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000335647014 136243753 /nfs/dbraw/zinc/24/37/53/136243753.db2.gz PVXDRYKMQVWJLJ-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000335647014 136243754 /nfs/dbraw/zinc/24/37/54/136243754.db2.gz PVXDRYKMQVWJLJ-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO Cc1cc(C)nc(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000631368569 342894334 /nfs/dbraw/zinc/89/43/34/342894334.db2.gz LSGLYHPBLJQDQQ-UHFFFAOYSA-N 1 2 245.330 1.559 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCc2cncnc2C1 ZINC000336475713 398319287 /nfs/dbraw/zinc/31/92/87/398319287.db2.gz LRVUBXLCBCCHIR-JTQLQIEISA-N 1 2 209.268 1.583 20 0 BDADLO CC[C@H](F)C[N@H+]1CCc2cncnc2C1 ZINC000336475713 398319288 /nfs/dbraw/zinc/31/92/88/398319288.db2.gz LRVUBXLCBCCHIR-JTQLQIEISA-N 1 2 209.268 1.583 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@]1(O)CCC[C@@H]1C ZINC000584301747 398320721 /nfs/dbraw/zinc/32/07/21/398320721.db2.gz COWLHPOZVZVTMQ-GXFFZTMASA-N 1 2 235.331 1.478 20 0 BDADLO Cc1nc(C[NH2+]CC2(O)CCC(C)CC2)no1 ZINC000232837974 342886579 /nfs/dbraw/zinc/88/65/79/342886579.db2.gz NBMDRTBYHNRPRQ-UHFFFAOYSA-N 1 2 239.319 1.409 20 0 BDADLO Cc1nc(NCC=C(Cl)Cl)cc[nH+]1 ZINC000407113154 342893579 /nfs/dbraw/zinc/89/35/79/342893579.db2.gz KAFPKFSUBITXCR-UHFFFAOYSA-N 1 2 218.087 1.938 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CCC(F)(F)C1 ZINC000625220312 342919383 /nfs/dbraw/zinc/91/93/83/342919383.db2.gz GTZFNZZOYMMANK-QMMMGPOBSA-N 1 2 230.262 1.672 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CCC(F)(F)C1 ZINC000625220312 342919384 /nfs/dbraw/zinc/91/93/84/342919384.db2.gz GTZFNZZOYMMANK-QMMMGPOBSA-N 1 2 230.262 1.672 20 0 BDADLO CC(C)[N@H+](CCc1cn(C)nn1)CC(F)F ZINC000625222479 342919762 /nfs/dbraw/zinc/91/97/62/342919762.db2.gz QPJASVWKRTXOAN-UHFFFAOYSA-N 1 2 232.278 1.333 20 0 BDADLO CC(C)[N@@H+](CCc1cn(C)nn1)CC(F)F ZINC000625222479 342919764 /nfs/dbraw/zinc/91/97/64/342919764.db2.gz QPJASVWKRTXOAN-UHFFFAOYSA-N 1 2 232.278 1.333 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)no1 ZINC000351627724 136248453 /nfs/dbraw/zinc/24/84/53/136248453.db2.gz KEAMLYLKYYLGJZ-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)no1 ZINC000351627724 136248454 /nfs/dbraw/zinc/24/84/54/136248454.db2.gz KEAMLYLKYYLGJZ-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO CCc1noc(C[N@H+](C)CC2(C)COC2)n1 ZINC000605439954 344011065 /nfs/dbraw/zinc/01/10/65/344011065.db2.gz ZYTLCTCFVAVLGP-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1noc(C[N@@H+](C)CC2(C)COC2)n1 ZINC000605439954 344011066 /nfs/dbraw/zinc/01/10/66/344011066.db2.gz ZYTLCTCFVAVLGP-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO COc1cccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634585684 342928776 /nfs/dbraw/zinc/92/87/76/342928776.db2.gz OHBNZAQOKKJTIN-NSHDSACASA-N 1 2 245.282 1.007 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncsc3C2)on1 ZINC000351652142 136249309 /nfs/dbraw/zinc/24/93/09/136249309.db2.gz RVAHBLVDXFAZEJ-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncsc3C2)on1 ZINC000351652142 136249310 /nfs/dbraw/zinc/24/93/10/136249310.db2.gz RVAHBLVDXFAZEJ-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO COCCCCCNc1nc[nH+]c(N)c1OC ZINC000234667024 342935536 /nfs/dbraw/zinc/93/55/36/342935536.db2.gz ILVAZNOZIHVIED-UHFFFAOYSA-N 1 2 240.307 1.296 20 0 BDADLO COCCCCCNc1[nH+]cnc(N)c1OC ZINC000234667024 342935538 /nfs/dbraw/zinc/93/55/38/342935538.db2.gz ILVAZNOZIHVIED-UHFFFAOYSA-N 1 2 240.307 1.296 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+]CC(F)F)cc1C ZINC000602655223 349661078 /nfs/dbraw/zinc/66/10/78/349661078.db2.gz NLBIIGNXMOIIMM-UHFFFAOYSA-N 1 2 232.230 1.464 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)on1 ZINC000351653165 136249033 /nfs/dbraw/zinc/24/90/33/136249033.db2.gz UNHRCSXNBWRZNB-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)on1 ZINC000351653165 136249034 /nfs/dbraw/zinc/24/90/34/136249034.db2.gz UNHRCSXNBWRZNB-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC000628154331 398336226 /nfs/dbraw/zinc/33/62/26/398336226.db2.gz TVFMVLLLMUYUJK-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO CCc1[nH]nc(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000493111553 529469671 /nfs/dbraw/zinc/46/96/71/529469671.db2.gz CVNWUWHDDLVPBW-SNAWJCMRSA-N 1 2 245.286 1.656 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120155824 398336977 /nfs/dbraw/zinc/33/69/77/398336977.db2.gz SRKIMRHSKRLXGD-MNOVXSKESA-N 1 2 249.314 1.500 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120155970 398336991 /nfs/dbraw/zinc/33/69/91/398336991.db2.gz SRKIMRHSKRLXGD-GHMZBOCLSA-N 1 2 249.314 1.500 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000353609800 398337921 /nfs/dbraw/zinc/33/79/21/398337921.db2.gz PJYQPOMHOHOTEN-NWDGAFQWSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1C[C@H]1CC=CCC1 ZINC000353609800 398337922 /nfs/dbraw/zinc/33/79/22/398337922.db2.gz PJYQPOMHOHOTEN-NWDGAFQWSA-N 1 2 239.315 1.217 20 0 BDADLO CCc1c(C(C)C)[nH]n(CC[NH+](C)C)c1=O ZINC000634590073 342937238 /nfs/dbraw/zinc/93/72/38/342937238.db2.gz PNNMLIYLOLYIDD-SNVBAGLBSA-N 1 2 225.336 1.428 20 0 BDADLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)[nH]1 ZINC000602673440 349667721 /nfs/dbraw/zinc/66/77/21/349667721.db2.gz BNCVUPGCPZAXJS-VIFPVBQESA-N 1 2 240.278 1.735 20 0 BDADLO CCOC(=O)c1ccc(C[N@H+]2CC[C@H](F)C2)[nH]1 ZINC000602673440 349667725 /nfs/dbraw/zinc/66/77/25/349667725.db2.gz BNCVUPGCPZAXJS-VIFPVBQESA-N 1 2 240.278 1.735 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000602683353 349675490 /nfs/dbraw/zinc/67/54/90/349675490.db2.gz VHDPQGOLBQLVGK-KXUCPTDWSA-N 1 2 217.309 1.340 20 0 BDADLO COC(=O)c1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000130085857 398340426 /nfs/dbraw/zinc/34/04/26/398340426.db2.gz DFFDHCHEUMILNM-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000130085857 398340427 /nfs/dbraw/zinc/34/04/27/398340427.db2.gz DFFDHCHEUMILNM-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO O=c1c2c([nH]n1-c1cccc(F)c1)CC[NH2+]C2 ZINC000634593561 342951504 /nfs/dbraw/zinc/95/15/04/342951504.db2.gz SKPOHXACJXOGSO-SNVBAGLBSA-N 1 2 233.246 1.138 20 0 BDADLO CCOC(=O)c1cc(C[NH2+][C@@H](C)CF)on1 ZINC000602661374 349681099 /nfs/dbraw/zinc/68/10/99/349681099.db2.gz DQPVKHLTJIIKJP-ZETCQYMHSA-N 1 2 230.239 1.299 20 0 BDADLO O=c1c2c([nH]n1C1CCCCC1)CC[NH2+]C2 ZINC000634593825 342953306 /nfs/dbraw/zinc/95/33/06/342953306.db2.gz BACFAKJDBODEHC-SNVBAGLBSA-N 1 2 221.304 1.127 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493284590 529493478 /nfs/dbraw/zinc/49/34/78/529493478.db2.gz BPPWTEQOPISLGR-ITKZLYELSA-N 1 2 237.303 1.090 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccns2)C1 ZINC000602694064 349690639 /nfs/dbraw/zinc/69/06/39/349690639.db2.gz XYHSFFDSWKSDEC-UHFFFAOYSA-N 1 2 226.301 1.138 20 0 BDADLO CC[C@](C)(C[NH2+][C@H](CC1CC1)C(=O)OC)OC ZINC000602697516 349693843 /nfs/dbraw/zinc/69/38/43/349693843.db2.gz VJTXSBCAGBVMCI-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC1CCC1 ZINC000493648356 529552488 /nfs/dbraw/zinc/55/24/88/529552488.db2.gz AVAMCZBIPIULGP-VOTSOKGWSA-N 1 2 219.288 1.585 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1CC12CC2 ZINC000493470453 529553942 /nfs/dbraw/zinc/55/39/42/529553942.db2.gz WCWUKSLCWNNHPA-PGLGOXFNSA-N 1 2 245.326 1.833 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CC[C@@H]1C ZINC000492890105 529555251 /nfs/dbraw/zinc/55/52/51/529555251.db2.gz JFLAHPNSXKQTFS-FQLSZKSXSA-N 1 2 233.315 1.831 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000493091034 529561485 /nfs/dbraw/zinc/56/14/85/529561485.db2.gz KXXUENLQAJCXBI-AOBPYFNVSA-N 1 2 245.326 1.831 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(C)C1 ZINC000493031967 529557244 /nfs/dbraw/zinc/55/72/44/529557244.db2.gz YEEGYVIVGSEJFB-PLNGDYQASA-N 1 2 219.288 1.395 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1nccn1C ZINC000493599548 529561592 /nfs/dbraw/zinc/56/15/92/529561592.db2.gz TWTPWZCIEKRCNJ-PLNGDYQASA-N 1 2 245.286 1.288 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@](C)(CCF)C(=O)OC)OC ZINC000602715320 349706512 /nfs/dbraw/zinc/70/65/12/349706512.db2.gz DUROGPRYEZZTQX-RYUDHWBXSA-N 1 2 249.326 1.682 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CC1(C)C ZINC000493432875 529561159 /nfs/dbraw/zinc/56/11/59/529561159.db2.gz LMCNFADGSJTZCU-OMMCCPJFSA-N 1 2 233.315 1.831 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000351845787 136257247 /nfs/dbraw/zinc/25/72/47/136257247.db2.gz WFOKVQUKOMRPCC-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000351845787 136257248 /nfs/dbraw/zinc/25/72/48/136257248.db2.gz WFOKVQUKOMRPCC-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO CCOC(=O)C[N@H+](CCOC)CC[C@@H](C)F ZINC000351849598 136257694 /nfs/dbraw/zinc/25/76/94/136257694.db2.gz FCLWQGQRFJVKLU-SNVBAGLBSA-N 1 2 235.299 1.246 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC)CC[C@@H](C)F ZINC000351849598 136257695 /nfs/dbraw/zinc/25/76/95/136257695.db2.gz FCLWQGQRFJVKLU-SNVBAGLBSA-N 1 2 235.299 1.246 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000602768343 349723992 /nfs/dbraw/zinc/72/39/92/349723992.db2.gz NBMVWNNVYQDATB-GFCCVEGCSA-N 1 2 247.346 1.392 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000602768343 349723997 /nfs/dbraw/zinc/72/39/97/349723997.db2.gz NBMVWNNVYQDATB-GFCCVEGCSA-N 1 2 247.346 1.392 20 0 BDADLO CS[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000356519735 187213464 /nfs/dbraw/zinc/21/34/64/187213464.db2.gz QTYNAUYSCNAQLN-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO C[C@H](c1ccccc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634599448 342988725 /nfs/dbraw/zinc/98/87/25/342988725.db2.gz IRYHRPAYHOOJLT-ZYHUDNBSSA-N 1 2 243.310 1.555 20 0 BDADLO CC(C)N1CC[N@H+](CCc2ccncc2)CC1=O ZINC000272650183 187336724 /nfs/dbraw/zinc/33/67/24/187336724.db2.gz ZBBNBOXHCQEZRH-UHFFFAOYSA-N 1 2 247.342 1.177 20 0 BDADLO CC(C)N1CC[N@@H+](CCc2ccncc2)CC1=O ZINC000272650183 187336725 /nfs/dbraw/zinc/33/67/25/187336725.db2.gz ZBBNBOXHCQEZRH-UHFFFAOYSA-N 1 2 247.342 1.177 20 0 BDADLO O=c1c2c([nH]n1Cc1ccccc1F)CC[NH2+]C2 ZINC000634607959 343003787 /nfs/dbraw/zinc/00/37/87/343003787.db2.gz MPJWQCRZBNQNMN-JTQLQIEISA-N 1 2 247.273 1.133 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602819929 349761106 /nfs/dbraw/zinc/76/11/06/349761106.db2.gz FVXHPMGOGANIIF-ZJUUUORDSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602819929 349761109 /nfs/dbraw/zinc/76/11/09/349761109.db2.gz FVXHPMGOGANIIF-ZJUUUORDSA-N 1 2 229.320 1.295 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1cnn(CC)c1 ZINC000602782978 349748782 /nfs/dbraw/zinc/74/87/82/349748782.db2.gz DBVSFYWJZOXCFO-UHFFFAOYSA-N 1 2 235.335 1.138 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1cnn(CC)c1 ZINC000602782978 349748786 /nfs/dbraw/zinc/74/87/86/349748786.db2.gz DBVSFYWJZOXCFO-UHFFFAOYSA-N 1 2 235.335 1.138 20 0 BDADLO CCN(C#N)CC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000602811123 349754837 /nfs/dbraw/zinc/75/48/37/349754837.db2.gz XBZKHJXPZUKUFM-QMMMGPOBSA-N 1 2 239.348 1.300 20 0 BDADLO CCN1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000176978061 346920315 /nfs/dbraw/zinc/92/03/15/346920315.db2.gz CKCDIMFLCKMCEI-LBPRGKRZSA-N 1 2 219.332 1.780 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369537070 187221915 /nfs/dbraw/zinc/22/19/15/187221915.db2.gz NEMHZZKYWPKRDY-GHMZBOCLSA-N 1 2 249.314 1.700 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369537070 187221918 /nfs/dbraw/zinc/22/19/18/187221918.db2.gz NEMHZZKYWPKRDY-GHMZBOCLSA-N 1 2 249.314 1.700 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2nccs2)C[C@@H]1C ZINC000683563266 488196537 /nfs/dbraw/zinc/19/65/37/488196537.db2.gz LHOPHGCZETZMFK-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2nccs2)C[C@@H]1C ZINC000683563266 488196540 /nfs/dbraw/zinc/19/65/40/488196540.db2.gz LHOPHGCZETZMFK-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO COC(=O)c1cccc2c1CC[N@H+](CC(C)=O)C2 ZINC000602843704 349780984 /nfs/dbraw/zinc/78/09/84/349780984.db2.gz XHJCTQLFANULSF-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO COC(=O)c1cccc2c1CC[N@@H+](CC(C)=O)C2 ZINC000602843704 349780988 /nfs/dbraw/zinc/78/09/88/349780988.db2.gz XHJCTQLFANULSF-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO C[C@@H]1C[NH+](Cc2ncnn2C)C[C@@H](C)C1(F)F ZINC000625648960 344024945 /nfs/dbraw/zinc/02/49/45/344024945.db2.gz KKASZXWNOFXHQZ-RKDXNWHRSA-N 1 2 244.289 1.538 20 0 BDADLO C[C@@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(C)(C)C ZINC000634629896 343038425 /nfs/dbraw/zinc/03/84/25/343038425.db2.gz GWQRFPGUHKSYAR-BDAKNGLRSA-N 1 2 223.320 1.229 20 0 BDADLO CC1(Cn2[nH]c3c(c2=O)C[NH2+]CC3)CCCC1 ZINC000634630595 343039372 /nfs/dbraw/zinc/03/93/72/343039372.db2.gz ZTTPVZFEUBNZBH-JTQLQIEISA-N 1 2 235.331 1.374 20 0 BDADLO CC(C)C1=NN(CCCn2cc[nH+]c2)C(=O)CC1 ZINC000634634452 343047140 /nfs/dbraw/zinc/04/71/40/343047140.db2.gz YQJYCPVXCMQTAS-UHFFFAOYSA-N 1 2 248.330 1.908 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1nccs1 ZINC000683565666 488196909 /nfs/dbraw/zinc/19/69/09/488196909.db2.gz GYQMFFMHINXKIA-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1nccs1 ZINC000683565666 488196912 /nfs/dbraw/zinc/19/69/12/488196912.db2.gz GYQMFFMHINXKIA-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO COc1ncccc1C[NH2+]Cc1cocn1 ZINC000192284563 187229360 /nfs/dbraw/zinc/22/93/60/187229360.db2.gz UDSVJQALHDWCTL-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CC1(C)COCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000188896781 259348775 /nfs/dbraw/zinc/34/87/75/259348775.db2.gz ZJIUXVYVKMEELR-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)COCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000188896781 259348776 /nfs/dbraw/zinc/34/87/76/259348776.db2.gz ZJIUXVYVKMEELR-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CCC12CCC2 ZINC000351880579 536840007 /nfs/dbraw/zinc/84/00/07/536840007.db2.gz JKJZULZUJNEZHZ-UHFFFAOYSA-N 1 2 236.271 1.590 20 0 BDADLO CCC[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000640941657 362083339 /nfs/dbraw/zinc/08/33/39/362083339.db2.gz AFVZHQDOGFTPMC-JTQLQIEISA-N 1 2 219.292 1.884 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(F)F ZINC000640996308 362105485 /nfs/dbraw/zinc/10/54/85/362105485.db2.gz BEBLPBLSTZUECE-LURJTMIESA-N 1 2 232.234 1.205 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(F)F ZINC000640996308 362105486 /nfs/dbraw/zinc/10/54/86/362105486.db2.gz BEBLPBLSTZUECE-LURJTMIESA-N 1 2 232.234 1.205 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cncc(F)c1 ZINC000124846242 136271429 /nfs/dbraw/zinc/27/14/29/136271429.db2.gz UNTJEYXQGMYRQZ-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc[nH]2)c(F)c1 ZINC000344632157 365716829 /nfs/dbraw/zinc/71/68/29/365716829.db2.gz QTBULKCRPBYDID-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO COc1ncccc1CNc1nc(C)[nH+]cc1C ZINC000576912933 365720026 /nfs/dbraw/zinc/72/00/26/365720026.db2.gz XQWPICVGNLJLEQ-UHFFFAOYSA-N 1 2 244.298 1.531 20 0 BDADLO C[C@@H](NC(=O)c1ccsc1)c1[nH]cc[nH+]1 ZINC000125380685 343172902 /nfs/dbraw/zinc/17/29/02/343172902.db2.gz ZRJVAHMLNQIBFM-SSDOTTSWSA-N 1 2 221.285 1.962 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125409773 343173533 /nfs/dbraw/zinc/17/35/33/343173533.db2.gz HEVXVRJZISFXFL-RKDXNWHRSA-N 1 2 223.276 1.156 20 0 BDADLO Cc1ncoc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125389162 343173633 /nfs/dbraw/zinc/17/36/33/343173633.db2.gz NFDQZEDNWJWINU-SSDOTTSWSA-N 1 2 220.232 1.197 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1CCCC1 ZINC000134822499 343195564 /nfs/dbraw/zinc/19/55/64/343195564.db2.gz AHLKEQAHIBKPEU-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1CCCC1 ZINC000134822499 343195566 /nfs/dbraw/zinc/19/55/66/343195566.db2.gz AHLKEQAHIBKPEU-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000625274266 343213662 /nfs/dbraw/zinc/21/36/62/343213662.db2.gz LZMCKZBNAUXQNI-LURJTMIESA-N 1 2 219.260 1.625 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000625274266 343213664 /nfs/dbraw/zinc/21/36/64/343213664.db2.gz LZMCKZBNAUXQNI-LURJTMIESA-N 1 2 219.260 1.625 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC000625278531 343218399 /nfs/dbraw/zinc/21/83/99/343218399.db2.gz XIFQBCDIPAHDFE-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC000625278531 343218402 /nfs/dbraw/zinc/21/84/02/343218402.db2.gz XIFQBCDIPAHDFE-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO OC[C@H]([NH2+]Cc1cnns1)c1ccsc1 ZINC000625328197 343234816 /nfs/dbraw/zinc/23/48/16/343234816.db2.gz LDUMBXXGDOZFDD-VIFPVBQESA-N 1 2 241.341 1.423 20 0 BDADLO O=C(CNc1ccc2ccccc2[nH+]1)NC1CC1 ZINC000035137372 343286417 /nfs/dbraw/zinc/28/64/17/343286417.db2.gz ZXSUPNYKPWLCQU-UHFFFAOYSA-N 1 2 241.294 1.925 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000051724757 343260033 /nfs/dbraw/zinc/26/00/33/343260033.db2.gz CDGGNGQHZZHIAR-UHFFFAOYSA-N 1 2 205.261 1.855 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000121458746 343266513 /nfs/dbraw/zinc/26/65/13/343266513.db2.gz LZBHSYNSPYKUKN-NEPJUHHUSA-N 1 2 233.315 1.125 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(C(C)(C)C)nn1 ZINC000641037742 362150127 /nfs/dbraw/zinc/15/01/27/362150127.db2.gz FDZFEXDMRPLAAL-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000348755112 136297081 /nfs/dbraw/zinc/29/70/81/136297081.db2.gz GCLPCIPDXTZHGO-LBPRGKRZSA-N 1 2 222.336 1.005 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000348755112 136297082 /nfs/dbraw/zinc/29/70/82/136297082.db2.gz GCLPCIPDXTZHGO-LBPRGKRZSA-N 1 2 222.336 1.005 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000037073776 343332799 /nfs/dbraw/zinc/33/27/99/343332799.db2.gz QYAQAIUYZUSHCR-NSHDSACASA-N 1 2 221.300 1.955 20 0 BDADLO CCC[C@@H](OCC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000625371401 343359388 /nfs/dbraw/zinc/35/93/88/343359388.db2.gz NQHPKXOTBXRXAP-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccc(F)cc1 ZINC000037988961 343364258 /nfs/dbraw/zinc/36/42/58/343364258.db2.gz DEGNHBHUPWQDNO-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CCc1cc(CNc2cc[nH+]c(C)n2)on1 ZINC000078302578 343367673 /nfs/dbraw/zinc/36/76/73/343367673.db2.gz CJBIJRIIAQPATJ-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CC/C=C\CCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641066331 362175055 /nfs/dbraw/zinc/17/50/55/362175055.db2.gz YUDYQJYCXRXRHC-VSQXVHSFSA-N 1 2 236.319 1.295 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)n1C ZINC000335673367 136317334 /nfs/dbraw/zinc/31/73/34/136317334.db2.gz XQWZISYFEFXWRW-MRVPVSSYSA-N 1 2 244.289 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)[C@H](C)C2)n1C ZINC000335673367 136317335 /nfs/dbraw/zinc/31/73/35/136317335.db2.gz XQWZISYFEFXWRW-MRVPVSSYSA-N 1 2 244.289 1.601 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000335640191 136308056 /nfs/dbraw/zinc/30/80/56/136308056.db2.gz RYBAMUBLZROFAE-SNVBAGLBSA-N 1 2 227.283 1.279 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCCO[C@H](CF)C1 ZINC000335640191 136308057 /nfs/dbraw/zinc/30/80/57/136308057.db2.gz RYBAMUBLZROFAE-SNVBAGLBSA-N 1 2 227.283 1.279 20 0 BDADLO C[C@]1(F)CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000335668817 136311966 /nfs/dbraw/zinc/31/19/66/136311966.db2.gz DBRNSPJDWJRCLD-NSHDSACASA-N 1 2 249.351 1.245 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000335668817 136311967 /nfs/dbraw/zinc/31/19/67/136311967.db2.gz DBRNSPJDWJRCLD-NSHDSACASA-N 1 2 249.351 1.245 20 0 BDADLO Cc1cc(NC(=O)N[C@@]2(C)CCO[C@H]2C)cc[nH+]1 ZINC000335672780 136316806 /nfs/dbraw/zinc/31/68/06/136316806.db2.gz RMKZOMFTKMJJFC-GWCFXTLKSA-N 1 2 249.314 1.501 20 0 BDADLO CCc1nc(C(=O)NCCn2cc[nH+]c2)c(C)o1 ZINC000505565652 529709262 /nfs/dbraw/zinc/70/92/62/529709262.db2.gz WEZWRBBFAANUMJ-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166255768 136326560 /nfs/dbraw/zinc/32/65/60/136326560.db2.gz VWHCZMKWABGXSK-XBFCOCLRSA-N 1 2 239.407 1.256 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C)CCC1 ZINC000276642609 187338703 /nfs/dbraw/zinc/33/87/03/187338703.db2.gz VDYQPNZCRXDLRQ-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166255858 136326725 /nfs/dbraw/zinc/32/67/25/136326725.db2.gz VWHCZMKWABGXSK-UBHSHLNASA-N 1 2 239.407 1.256 20 0 BDADLO CC(C)c1cc(NCCn2cc[nH+]c2)ncn1 ZINC000041119931 343415351 /nfs/dbraw/zinc/41/53/51/343415351.db2.gz DGOCKOOFWOGPGZ-UHFFFAOYSA-N 1 2 231.303 1.909 20 0 BDADLO Cc1cn2cc(NC(=O)C3CC3)ccc2[nH+]1 ZINC000041304911 343418859 /nfs/dbraw/zinc/41/88/59/343418859.db2.gz IFCUBFBJBUXFTN-UHFFFAOYSA-N 1 2 215.256 1.991 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)nn1 ZINC000349403492 136344729 /nfs/dbraw/zinc/34/47/29/136344729.db2.gz BVSHFLPBYSZNBV-ZYHUDNBSSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)nn1 ZINC000349403492 136344730 /nfs/dbraw/zinc/34/47/30/136344730.db2.gz BVSHFLPBYSZNBV-ZYHUDNBSSA-N 1 2 238.335 1.062 20 0 BDADLO Fc1cccc(CC[NH+]2CCOCC2)c1F ZINC000335721127 136345649 /nfs/dbraw/zinc/34/56/49/136345649.db2.gz ASZBIPYXOUFNSW-UHFFFAOYSA-N 1 2 227.254 1.840 20 0 BDADLO C[C@H]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000335720444 136345987 /nfs/dbraw/zinc/34/59/87/136345987.db2.gz UPGHMEHWSXAEND-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000335727266 136347365 /nfs/dbraw/zinc/34/73/65/136347365.db2.gz QBRDEFBIEQLFSA-UHFFFAOYSA-N 1 2 247.298 1.538 20 0 BDADLO CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000335727266 136347366 /nfs/dbraw/zinc/34/73/66/136347366.db2.gz QBRDEFBIEQLFSA-UHFFFAOYSA-N 1 2 247.298 1.538 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC1 ZINC000335727440 136347896 /nfs/dbraw/zinc/34/78/96/136347896.db2.gz BFQYKSNFSWCJGB-SECBINFHSA-N 1 2 234.303 1.072 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC1 ZINC000335727440 136347897 /nfs/dbraw/zinc/34/78/97/136347897.db2.gz BFQYKSNFSWCJGB-SECBINFHSA-N 1 2 234.303 1.072 20 0 BDADLO CC1(C)CC(C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000335728968 136348312 /nfs/dbraw/zinc/34/83/12/136348312.db2.gz DLFGLIJMRNVAHU-UHFFFAOYSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccsc1 ZINC000042534261 343441643 /nfs/dbraw/zinc/44/16/43/343441643.db2.gz SBKSYKGTFRTSAM-SNVBAGLBSA-N 1 2 249.339 1.692 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000042303882 343434013 /nfs/dbraw/zinc/43/40/13/343434013.db2.gz QYAQAIUYZUSHCR-LLVKDONJSA-N 1 2 221.300 1.955 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335718236 136340003 /nfs/dbraw/zinc/34/00/03/136340003.db2.gz QHPUYYMXPFFRGO-SFYZADRCSA-N 1 2 239.344 1.135 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335718236 136340004 /nfs/dbraw/zinc/34/00/04/136340004.db2.gz QHPUYYMXPFFRGO-SFYZADRCSA-N 1 2 239.344 1.135 20 0 BDADLO CC(C)=CCCNC(=O)NCc1[nH+]ccn1C ZINC000276619057 187339002 /nfs/dbraw/zinc/33/90/02/187339002.db2.gz SUGCTSSCQXCCCI-UHFFFAOYSA-N 1 2 236.319 1.576 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668189907 488218354 /nfs/dbraw/zinc/21/83/54/488218354.db2.gz TUWXFWLZGPYXNL-NSHDSACASA-N 1 2 220.320 1.987 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668189907 488218358 /nfs/dbraw/zinc/21/83/58/488218358.db2.gz TUWXFWLZGPYXNL-NSHDSACASA-N 1 2 220.320 1.987 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCOC[C@@H](C)C1 ZINC000335850646 136355456 /nfs/dbraw/zinc/35/54/56/136355456.db2.gz UDOOXPKCBLSJBD-JTQLQIEISA-N 1 2 249.314 1.312 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCCOC2)o1 ZINC000335850361 136355582 /nfs/dbraw/zinc/35/55/82/136355582.db2.gz TUUQUQQPXLRSCL-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H]2CCCOC2)o1 ZINC000335850361 136355583 /nfs/dbraw/zinc/35/55/83/136355583.db2.gz TUUQUQQPXLRSCL-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO C[NH+]1CCN(C(=O)CSC2CCCC2)CC1 ZINC000335899810 136359976 /nfs/dbraw/zinc/35/99/76/136359976.db2.gz DVQYSFVVROKKFT-UHFFFAOYSA-N 1 2 242.388 1.436 20 0 BDADLO COc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000351606183 136370122 /nfs/dbraw/zinc/37/01/22/136370122.db2.gz BIDAADLPQGZDRG-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000351606183 136370123 /nfs/dbraw/zinc/37/01/23/136370123.db2.gz BIDAADLPQGZDRG-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000082680111 343459127 /nfs/dbraw/zinc/45/91/27/343459127.db2.gz JOPWGFVKAPIBQH-PRJMDXOYSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000082680111 343459132 /nfs/dbraw/zinc/45/91/32/343459132.db2.gz JOPWGFVKAPIBQH-PRJMDXOYSA-N 1 2 227.226 1.019 20 0 BDADLO CCn1ccnc1NC(=O)CCc1c[nH+]cn1C ZINC000622712660 343521429 /nfs/dbraw/zinc/52/14/29/343521429.db2.gz HIXCBNHOAKCOAZ-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)c1ccncc1)C(=O)OC ZINC000619183055 343544757 /nfs/dbraw/zinc/54/47/57/343544757.db2.gz NCROUYOXSIFTRB-JQWIXIFHSA-N 1 2 236.315 1.726 20 0 BDADLO COc1ccccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140804844 343562779 /nfs/dbraw/zinc/56/27/79/343562779.db2.gz MADSUCKSEZZVDP-SECBINFHSA-N 1 2 245.282 1.909 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000577013916 365767796 /nfs/dbraw/zinc/76/77/96/365767796.db2.gz TVYKIJUFDRFFBS-RKDXNWHRSA-N 1 2 221.304 1.602 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@](C)(COC)C2)no1 ZINC000487034644 529737079 /nfs/dbraw/zinc/73/70/79/529737079.db2.gz IBZGOPOLSFBHBH-GFCCVEGCSA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@](C)(COC)C2)no1 ZINC000487034644 529737080 /nfs/dbraw/zinc/73/70/80/529737080.db2.gz IBZGOPOLSFBHBH-GFCCVEGCSA-N 1 2 239.319 1.490 20 0 BDADLO CCC1(C)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000359403138 168449704 /nfs/dbraw/zinc/44/97/04/168449704.db2.gz GHDSFTUVFQCWEU-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000379665794 343591312 /nfs/dbraw/zinc/59/13/12/343591312.db2.gz WQHFESPBCZWYON-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cnc[nH]2)[nH+]1 ZINC000580574601 365784388 /nfs/dbraw/zinc/78/43/88/365784388.db2.gz CPCCTJWHBOVUDY-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO CC(C)[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000620044658 343598240 /nfs/dbraw/zinc/59/82/40/343598240.db2.gz LROPMLMHYQERTG-CYBMUJFWSA-N 1 2 235.331 1.893 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cccc(O)c1 ZINC000622745772 343605567 /nfs/dbraw/zinc/60/55/67/343605567.db2.gz WICFXLSZLREPBD-UHFFFAOYSA-N 1 2 231.255 1.388 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000119031161 343605596 /nfs/dbraw/zinc/60/55/96/343605596.db2.gz SYPUCIGXKFYJFN-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000119031161 343605598 /nfs/dbraw/zinc/60/55/98/343605598.db2.gz SYPUCIGXKFYJFN-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000622745501 343606043 /nfs/dbraw/zinc/60/60/43/343606043.db2.gz MTCOMWADQFFAEI-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000622745501 343606044 /nfs/dbraw/zinc/60/60/44/343606044.db2.gz MTCOMWADQFFAEI-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)CCCn1cc[nH+]c1 ZINC000620078242 343638673 /nfs/dbraw/zinc/63/86/73/343638673.db2.gz HZIOADVQIPFXGP-CYBMUJFWSA-N 1 2 235.331 1.968 20 0 BDADLO CCc1noc([C@H](C)[NH+]2CCSCC2)n1 ZINC000047918817 343647192 /nfs/dbraw/zinc/64/71/92/343647192.db2.gz OVBBPBIPBDFHPJ-QMMMGPOBSA-N 1 2 227.333 1.742 20 0 BDADLO CC(C)c1cc(NCc2[nH+]ccn2C)ncn1 ZINC000071274348 343647201 /nfs/dbraw/zinc/64/72/01/343647201.db2.gz IFOLJLSNUNXRAN-UHFFFAOYSA-N 1 2 231.303 1.946 20 0 BDADLO CCc1noc([C@@H](C)[NH+]2CCSCC2)n1 ZINC000047918816 343647288 /nfs/dbraw/zinc/64/72/88/343647288.db2.gz OVBBPBIPBDFHPJ-MRVPVSSYSA-N 1 2 227.333 1.742 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000051736750 343628700 /nfs/dbraw/zinc/62/87/00/343628700.db2.gz HEQVMSLZJKFPPG-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000051736750 343628701 /nfs/dbraw/zinc/62/87/01/343628701.db2.gz HEQVMSLZJKFPPG-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC(C)n1cc(CNc2c[nH]c[nH+]2)cn1 ZINC000380076298 343676650 /nfs/dbraw/zinc/67/66/50/343676650.db2.gz FKXZKFRWDKGETM-UHFFFAOYSA-N 1 2 205.265 1.799 20 0 BDADLO CC[NH2+][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602951992 349828943 /nfs/dbraw/zinc/82/89/43/349828943.db2.gz QBFCLJSZWCHEFQ-GFCCVEGCSA-N 1 2 237.299 1.389 20 0 BDADLO C/C=C\C[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631395729 343695234 /nfs/dbraw/zinc/69/52/34/343695234.db2.gz RLEXZAXQSKEDLM-DLRQAJBASA-N 1 2 247.346 1.775 20 0 BDADLO C/C=C\C[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631395729 343695235 /nfs/dbraw/zinc/69/52/35/343695235.db2.gz RLEXZAXQSKEDLM-DLRQAJBASA-N 1 2 247.346 1.775 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC(C)(C)CO ZINC000287657754 187346095 /nfs/dbraw/zinc/34/60/95/187346095.db2.gz WTNFLABCJZZLEV-UHFFFAOYSA-N 1 2 237.303 1.591 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H]1CCOC1 ZINC000287438392 187346119 /nfs/dbraw/zinc/34/61/19/187346119.db2.gz HETCNIJEYGODSC-NSHDSACASA-N 1 2 249.314 1.951 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636773726 349837516 /nfs/dbraw/zinc/83/75/16/349837516.db2.gz AQQVWNZFEMWFHQ-ZJUUUORDSA-N 1 2 248.330 1.153 20 0 BDADLO COCC[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000048024152 343702183 /nfs/dbraw/zinc/70/21/83/343702183.db2.gz LKFWSWQLZUQKIB-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO COCC[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000048024152 343702186 /nfs/dbraw/zinc/70/21/86/343702186.db2.gz LKFWSWQLZUQKIB-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634714873 343705679 /nfs/dbraw/zinc/70/56/79/343705679.db2.gz SKCDJJWCRLKQNP-UWVGGRQHSA-N 1 2 237.290 1.143 20 0 BDADLO C/C=C/C=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000290919540 187347966 /nfs/dbraw/zinc/34/79/66/187347966.db2.gz KDYWAAOEMNABOY-MQQKCMAXSA-N 1 2 217.272 1.358 20 0 BDADLO Cc1nnc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)s1 ZINC000625438243 343740009 /nfs/dbraw/zinc/74/00/09/343740009.db2.gz YAHCATXXHONQNW-SSDOTTSWSA-N 1 2 249.343 1.689 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000174663110 343719421 /nfs/dbraw/zinc/71/94/21/343719421.db2.gz ZKYMLQWXWGBVAG-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000174663110 343719423 /nfs/dbraw/zinc/71/94/23/343719423.db2.gz ZKYMLQWXWGBVAG-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO COc1ccc[nH+]c1NCCO[C@@H]1CC1(F)F ZINC000624395198 343752308 /nfs/dbraw/zinc/75/23/08/343752308.db2.gz LSEYFIPDMOWYFB-SECBINFHSA-N 1 2 244.241 1.926 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@@H](O)C12CCC2 ZINC000624400969 343753943 /nfs/dbraw/zinc/75/39/43/343753943.db2.gz CUFPFFWVECLFNW-WDEREUQCSA-N 1 2 234.299 1.806 20 0 BDADLO COC1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000584117553 343760925 /nfs/dbraw/zinc/76/09/25/343760925.db2.gz MDELAFQXMFCYMV-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](C)[C@](C)(CO)C1 ZINC000624410484 343763790 /nfs/dbraw/zinc/76/37/90/343763790.db2.gz VTVDOJOZHUJJCI-MFKMUULPSA-N 1 2 236.315 1.545 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(F)cc1 ZINC000336445983 537810882 /nfs/dbraw/zinc/81/08/82/537810882.db2.gz DCTIYNBGGKYDSX-UHFFFAOYSA-N 1 2 248.261 1.881 20 0 BDADLO CCN1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000179190688 346976238 /nfs/dbraw/zinc/97/62/38/346976238.db2.gz ICSDNNHTMKGRQP-UHFFFAOYSA-N 1 2 248.370 1.971 20 0 BDADLO CN(CC1(O)CCCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493246513 529855492 /nfs/dbraw/zinc/85/54/92/529855492.db2.gz AXNNQTXZATVKGS-SNAWJCMRSA-N 1 2 249.314 1.186 20 0 BDADLO Cc1ccnc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000294054533 187350085 /nfs/dbraw/zinc/35/00/85/187350085.db2.gz KQRQQDQEZMCLRN-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC12CC2 ZINC000625487907 343884610 /nfs/dbraw/zinc/88/46/10/343884610.db2.gz CFZCVGHWVKLKDZ-VIFPVBQESA-N 1 2 219.288 1.606 20 0 BDADLO Cc1ccnc(NCc2c[nH+]cn2C)n1 ZINC000336732577 537831992 /nfs/dbraw/zinc/83/19/92/537831992.db2.gz LKKSORINDDUDGZ-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CC[NH+](C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000382849559 343899016 /nfs/dbraw/zinc/89/90/16/343899016.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 1 2 239.407 1.243 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CC[NH+](C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000382849559 343899018 /nfs/dbraw/zinc/89/90/18/343899018.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 1 2 239.407 1.243 20 0 BDADLO CC1(C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000069638317 343941379 /nfs/dbraw/zinc/94/13/79/343941379.db2.gz IVUFXLOBZLVJFY-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CCO[C@@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000625534706 343920115 /nfs/dbraw/zinc/92/01/15/343920115.db2.gz GDZHZJFLZHGTPQ-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000625534706 343920116 /nfs/dbraw/zinc/92/01/16/343920116.db2.gz GDZHZJFLZHGTPQ-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CSC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000077037524 344054044 /nfs/dbraw/zinc/05/40/44/344054044.db2.gz KDBAOPCMUFJFCL-LURJTMIESA-N 1 2 213.306 1.199 20 0 BDADLO Cc1cc(C(=O)NCC[C@H](C)O)c2[nH+]ccn2c1 ZINC000625716300 344054950 /nfs/dbraw/zinc/05/49/50/344054950.db2.gz RXMIVFBHVQUFTJ-JTQLQIEISA-N 1 2 247.298 1.143 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625723892 344056456 /nfs/dbraw/zinc/05/64/56/344056456.db2.gz ACJBNFNEDXHYLL-SNVBAGLBSA-N 1 2 248.326 1.623 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625723892 344056458 /nfs/dbraw/zinc/05/64/58/344056458.db2.gz ACJBNFNEDXHYLL-SNVBAGLBSA-N 1 2 248.326 1.623 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCc1c[nH]nn1)C2 ZINC000625727968 344059292 /nfs/dbraw/zinc/05/92/92/344059292.db2.gz SFNHDXYJELGYML-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCc1c[nH]nn1)C2 ZINC000625727968 344059294 /nfs/dbraw/zinc/05/92/94/344059294.db2.gz SFNHDXYJELGYML-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCc1cn[nH]n1)C2 ZINC000625727968 344059295 /nfs/dbraw/zinc/05/92/95/344059295.db2.gz SFNHDXYJELGYML-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCc1cn[nH]n1)C2 ZINC000625727968 344059297 /nfs/dbraw/zinc/05/92/97/344059297.db2.gz SFNHDXYJELGYML-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO CC(=O)[C@](C)(O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625728204 344060008 /nfs/dbraw/zinc/06/00/08/344060008.db2.gz ZMTRMMKKQYKSAF-CYBMUJFWSA-N 1 2 235.283 1.048 20 0 BDADLO CC(=O)[C@](C)(O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625728204 344060010 /nfs/dbraw/zinc/06/00/10/344060010.db2.gz ZMTRMMKKQYKSAF-CYBMUJFWSA-N 1 2 235.283 1.048 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000625743571 344062453 /nfs/dbraw/zinc/06/24/53/344062453.db2.gz YVWJHMYELKSYPY-ZCFIWIBFSA-N 1 2 235.209 1.614 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000625743571 344062455 /nfs/dbraw/zinc/06/24/55/344062455.db2.gz YVWJHMYELKSYPY-ZCFIWIBFSA-N 1 2 235.209 1.614 20 0 BDADLO CCc1cc(N[C@@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000127239079 344063528 /nfs/dbraw/zinc/06/35/28/344063528.db2.gz NNGARBSBALCNMA-VHSXEESVSA-N 1 2 221.304 1.876 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000625770687 344065994 /nfs/dbraw/zinc/06/59/94/344065994.db2.gz ORZCUIJBXFWUJE-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO CCn1ncnc1C[N@H+]1CCCC(F)(F)CC1 ZINC000625770687 344065996 /nfs/dbraw/zinc/06/59/96/344065996.db2.gz ORZCUIJBXFWUJE-UHFFFAOYSA-N 1 2 244.289 1.919 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330676316 187357344 /nfs/dbraw/zinc/35/73/44/187357344.db2.gz UAOOURVCBUUDRP-WCBMZHEXSA-N 1 2 249.314 1.313 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330676316 187357345 /nfs/dbraw/zinc/35/73/45/187357345.db2.gz UAOOURVCBUUDRP-WCBMZHEXSA-N 1 2 249.314 1.313 20 0 BDADLO CC[N@@H+]1CCC[C@H](N[C@H](C)c2cn[nH]c2)C1 ZINC000304221999 344069922 /nfs/dbraw/zinc/06/99/22/344069922.db2.gz HWRLLPGSXXNZHA-PWSUYJOCSA-N 1 2 222.336 1.545 20 0 BDADLO CC[N@H+]1CCC[C@H](N[C@H](C)c2cn[nH]c2)C1 ZINC000304221999 344069923 /nfs/dbraw/zinc/06/99/23/344069923.db2.gz HWRLLPGSXXNZHA-PWSUYJOCSA-N 1 2 222.336 1.545 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)n[nH]1 ZINC000625779510 344069945 /nfs/dbraw/zinc/06/99/45/344069945.db2.gz VJTHPKSNVCXTPK-ZJUUUORDSA-N 1 2 238.360 1.583 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)n[nH]1 ZINC000625779510 344069948 /nfs/dbraw/zinc/06/99/48/344069948.db2.gz VJTHPKSNVCXTPK-ZJUUUORDSA-N 1 2 238.360 1.583 20 0 BDADLO Cc1cnc(NC[C@H]2COCC[N@H+]2C)s1 ZINC000624620808 344108111 /nfs/dbraw/zinc/10/81/11/344108111.db2.gz MNBBUEGWOLIWFN-VIFPVBQESA-N 1 2 227.333 1.194 20 0 BDADLO Cc1cnc(NC[C@H]2COCC[N@@H+]2C)s1 ZINC000624620808 344108113 /nfs/dbraw/zinc/10/81/13/344108113.db2.gz MNBBUEGWOLIWFN-VIFPVBQESA-N 1 2 227.333 1.194 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cncs2)CCO1 ZINC000634734822 344114593 /nfs/dbraw/zinc/11/45/93/344114593.db2.gz PGTGAAYICBQKHM-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cncs2)CCO1 ZINC000634734822 344114594 /nfs/dbraw/zinc/11/45/94/344114594.db2.gz PGTGAAYICBQKHM-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H](C(F)F)CC1 ZINC000634735215 344117258 /nfs/dbraw/zinc/11/72/58/344117258.db2.gz ZKROWJSJQXRWGF-SECBINFHSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634735215 344117259 /nfs/dbraw/zinc/11/72/59/344117259.db2.gz ZKROWJSJQXRWGF-SECBINFHSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccnc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634735215 344117260 /nfs/dbraw/zinc/11/72/60/344117260.db2.gz ZKROWJSJQXRWGF-SECBINFHSA-N 1 2 245.273 1.276 20 0 BDADLO C(c1nnnn1C1CC1)[NH+](C1CC1)C1CC1 ZINC000625833521 344088561 /nfs/dbraw/zinc/08/85/61/344088561.db2.gz BTSFPIIFTGUBPU-UHFFFAOYSA-N 1 2 219.292 1.135 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@@H](C)O)C1CCCCC1 ZINC000570683191 323067084 /nfs/dbraw/zinc/06/70/84/323067084.db2.gz JLEHPHVYOGYLJF-ZYHUDNBSSA-N 1 2 243.347 1.469 20 0 BDADLO CCOCCCCNc1cc[nH+]cc1F ZINC000641301685 362353970 /nfs/dbraw/zinc/35/39/70/362353970.db2.gz HGQJTOAVXRCOHK-UHFFFAOYSA-N 1 2 212.268 1.871 20 0 BDADLO Cc1cc(NC(=O)C2(C)CCOCC2)cc[nH+]1 ZINC000588696883 344173919 /nfs/dbraw/zinc/17/39/19/344173919.db2.gz UYDISABLOXZSSO-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO Cc1cc(CNc2cc(CO)cc[nH+]2)on1 ZINC000641311133 362358310 /nfs/dbraw/zinc/35/83/10/362358310.db2.gz MPRVKLVFFPNFLE-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO COCC1([N@H+](C)Cc2ncnn2C(C)C)CC1 ZINC000683996127 488254035 /nfs/dbraw/zinc/25/40/35/488254035.db2.gz GCDGPFWIJRDFFL-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO COCC1([N@@H+](C)Cc2ncnn2C(C)C)CC1 ZINC000683996127 488254037 /nfs/dbraw/zinc/25/40/37/488254037.db2.gz GCDGPFWIJRDFFL-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cnns2)CCO1 ZINC000634757857 344225445 /nfs/dbraw/zinc/22/54/45/344225445.db2.gz BSGAYQARSLUPDV-QMMMGPOBSA-N 1 2 249.286 1.394 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cnns2)CCO1 ZINC000634757857 344225448 /nfs/dbraw/zinc/22/54/48/344225448.db2.gz BSGAYQARSLUPDV-QMMMGPOBSA-N 1 2 249.286 1.394 20 0 BDADLO O=C(N[C@@H]1CCSC1)c1ccc2[nH+]ccn2c1 ZINC000081037869 344246313 /nfs/dbraw/zinc/24/63/13/344246313.db2.gz KHWFYEMNRKYPBM-SNVBAGLBSA-N 1 2 247.323 1.570 20 0 BDADLO C[C@@H](CO)SCc1ccc(N(C)C)[nH+]c1 ZINC000600524414 344256236 /nfs/dbraw/zinc/25/62/36/344256236.db2.gz KUMBLBWVMJALHP-VIFPVBQESA-N 1 2 226.345 1.762 20 0 BDADLO Cc1oc(C)c(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000088759353 344241746 /nfs/dbraw/zinc/24/17/46/344241746.db2.gz NAPMSJQBFVVYRW-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO Cc1oc(C)c(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000088759353 344241748 /nfs/dbraw/zinc/24/17/48/344241748.db2.gz NAPMSJQBFVVYRW-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO FC(F)c1noc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000634779223 344311528 /nfs/dbraw/zinc/31/15/28/344311528.db2.gz IGJBGDNMHHLOHI-KNVOCYPGSA-N 1 2 245.229 1.085 20 0 BDADLO FC(F)c1noc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000634779223 344311530 /nfs/dbraw/zinc/31/15/30/344311530.db2.gz IGJBGDNMHHLOHI-KNVOCYPGSA-N 1 2 245.229 1.085 20 0 BDADLO CC[N@H+](Cc1ccco1)[C@H](C)CS(C)(=O)=O ZINC000093390004 344315606 /nfs/dbraw/zinc/31/56/06/344315606.db2.gz LMOKFPGXFAPJSY-SNVBAGLBSA-N 1 2 245.344 1.535 20 0 BDADLO CC[N@@H+](Cc1ccco1)[C@H](C)CS(C)(=O)=O ZINC000093390004 344315608 /nfs/dbraw/zinc/31/56/08/344315608.db2.gz LMOKFPGXFAPJSY-SNVBAGLBSA-N 1 2 245.344 1.535 20 0 BDADLO CCn1cc(CN(C)c2cc(CO)cc[nH+]2)cn1 ZINC000641377256 362382639 /nfs/dbraw/zinc/38/26/39/362382639.db2.gz SSFHDJUOBRCDKQ-UHFFFAOYSA-N 1 2 246.314 1.427 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCF)C(C)(C)C ZINC000138127840 344323230 /nfs/dbraw/zinc/32/32/30/344323230.db2.gz HNVKVGMHZDTTCJ-MRVPVSSYSA-N 1 2 205.273 1.523 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@H](CC)OC)C(=O)OC ZINC000309389569 347046100 /nfs/dbraw/zinc/04/61/00/347046100.db2.gz SSASHZDKJMYDMK-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H](C)O[C@@H]2C)cc[nH+]1 ZINC000385118741 344331639 /nfs/dbraw/zinc/33/16/39/344331639.db2.gz JXELHJPWMWJBIV-QXFUBDJGSA-N 1 2 207.277 1.763 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H]1C[C@H](OC)C1 ZINC000600616415 344337058 /nfs/dbraw/zinc/33/70/58/344337058.db2.gz VITWHXRMTVIWKR-IJLUTSLNSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCCO1)c1[nH+]ccn1C ZINC000620602729 344347200 /nfs/dbraw/zinc/34/72/00/344347200.db2.gz DDNINGXTURTOGG-ZJUUUORDSA-N 1 2 237.303 1.166 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)ncn1 ZINC000620603089 344352757 /nfs/dbraw/zinc/35/27/57/344352757.db2.gz HHXGKEBKGQBRRC-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)c1[nH+]ccn1C ZINC000620603404 344354103 /nfs/dbraw/zinc/35/41/03/344354103.db2.gz HOCHBLAMAGEUDI-KWBADKCTSA-N 1 2 249.314 1.024 20 0 BDADLO COCc1ccc(C[N@H+](C)Cc2cnccn2)o1 ZINC000092590818 344299349 /nfs/dbraw/zinc/29/93/49/344299349.db2.gz RYSCKFKJNRQILA-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO COCc1ccc(C[N@@H+](C)Cc2cnccn2)o1 ZINC000092590818 344299353 /nfs/dbraw/zinc/29/93/53/344299353.db2.gz RYSCKFKJNRQILA-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO CC[N@@H+](Cc1nccn1C)C[C@H]1CCCO1 ZINC000102515290 344432455 /nfs/dbraw/zinc/43/24/55/344432455.db2.gz HXDVTKXFOLCSGE-LLVKDONJSA-N 1 2 223.320 1.421 20 0 BDADLO CC[N@H+](Cc1nccn1C)C[C@H]1CCCO1 ZINC000102515290 344432460 /nfs/dbraw/zinc/43/24/60/344432460.db2.gz HXDVTKXFOLCSGE-LLVKDONJSA-N 1 2 223.320 1.421 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc[nH+]cc1F ZINC000603309793 349910982 /nfs/dbraw/zinc/91/09/82/349910982.db2.gz RVXCCUPORUCHKZ-MRVPVSSYSA-N 1 2 226.251 1.254 20 0 BDADLO O[C@H]1CCC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000641394650 362389588 /nfs/dbraw/zinc/38/95/88/362389588.db2.gz SOJDMNMHJCKKJG-ZJUUUORDSA-N 1 2 224.279 1.606 20 0 BDADLO C[C@H](CC[S@@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603304803 349909862 /nfs/dbraw/zinc/90/98/62/349909862.db2.gz XLQUFZIXQKNFFB-JDNHERCYSA-N 1 2 242.344 1.143 20 0 BDADLO CC(C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042511703 344442188 /nfs/dbraw/zinc/44/21/88/344442188.db2.gz KYYDTMIQNLKSQJ-JTQLQIEISA-N 1 2 209.293 1.434 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C)ccn1 ZINC000616779159 344442590 /nfs/dbraw/zinc/44/25/90/344442590.db2.gz JBUCSBNNOJBVCQ-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C)ccn1 ZINC000616779159 344442592 /nfs/dbraw/zinc/44/25/92/344442592.db2.gz JBUCSBNNOJBVCQ-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CCSCC1 ZINC000042304594 344450270 /nfs/dbraw/zinc/45/02/70/344450270.db2.gz JOLJLCCKNLXWPF-SSDOTTSWSA-N 1 2 203.307 1.033 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1cscn1 ZINC000042866728 344469500 /nfs/dbraw/zinc/46/95/00/344469500.db2.gz CCBALMJHSWLYJD-UHFFFAOYSA-N 1 2 214.290 1.138 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000042866728 344469502 /nfs/dbraw/zinc/46/95/02/344469502.db2.gz CCBALMJHSWLYJD-UHFFFAOYSA-N 1 2 214.290 1.138 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)[C@@H]1CCOC1 ZINC000641399049 362393175 /nfs/dbraw/zinc/39/31/75/362393175.db2.gz YCYOKLMGXRQPCC-DTWKUNHWSA-N 1 2 210.252 1.480 20 0 BDADLO CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)OC ZINC000572660497 323073260 /nfs/dbraw/zinc/07/32/60/323073260.db2.gz JHFMKWVULQOJBS-MWLCHTKSSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1ccsc1[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000381530009 344518160 /nfs/dbraw/zinc/51/81/60/344518160.db2.gz YNSVAJCWXFORCD-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2Cc3ccccc32)c[nH+]1 ZINC000600960025 344540709 /nfs/dbraw/zinc/54/07/09/344540709.db2.gz IMSXXEAZHJRANW-LLVKDONJSA-N 1 2 241.294 1.788 20 0 BDADLO CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000672667110 488263407 /nfs/dbraw/zinc/26/34/07/488263407.db2.gz PEBDYSRSLLZFBV-SECBINFHSA-N 1 2 209.293 1.267 20 0 BDADLO CC(=O)N1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000220575103 344554081 /nfs/dbraw/zinc/55/40/81/344554081.db2.gz VRKFSTYJFBCMBB-UHFFFAOYSA-N 1 2 234.303 1.208 20 0 BDADLO CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)OC ZINC000572660497 323073259 /nfs/dbraw/zinc/07/32/59/323073259.db2.gz JHFMKWVULQOJBS-MWLCHTKSSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)nc1C ZINC000318656054 259377602 /nfs/dbraw/zinc/37/76/02/259377602.db2.gz RTXAJWKVBORLSG-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)C1CCOCC1 ZINC000641440015 362420388 /nfs/dbraw/zinc/42/03/88/362420388.db2.gz GNXUZOQJNPLOMP-SECBINFHSA-N 1 2 224.279 1.870 20 0 BDADLO CC[C@H](COC)[NH2+][C@H](C[C@@H](C)CC)C(=O)OC ZINC000577731683 344590823 /nfs/dbraw/zinc/59/08/23/344590823.db2.gz NJWAUCSGOBVWPP-QJPTWQEYSA-N 1 2 245.363 1.979 20 0 BDADLO Cn1c[nH+]c(COc2nc(C(C)(C)C)no2)c1 ZINC000641451477 362426031 /nfs/dbraw/zinc/42/60/31/362426031.db2.gz SKHBEHBQIPHPHF-UHFFFAOYSA-N 1 2 236.275 1.680 20 0 BDADLO C[C@H](O)[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641452992 362427368 /nfs/dbraw/zinc/42/73/68/362427368.db2.gz NUEHYDYAWQKHCQ-JQWIXIFHSA-N 1 2 236.315 1.171 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000641455833 362429880 /nfs/dbraw/zinc/42/98/80/362429880.db2.gz PZVFAYGDEJVGOC-STQMWFEESA-N 1 2 248.326 1.437 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)c1cc[nH+]cc1F ZINC000641460801 362433257 /nfs/dbraw/zinc/43/32/57/362433257.db2.gz CSCGROFWSKHROT-JOYOIKCWSA-N 1 2 224.279 1.818 20 0 BDADLO CCc1c[nH]c(SCc2cn(C)c[nH+]2)n1 ZINC000641466035 362439009 /nfs/dbraw/zinc/43/90/09/362439009.db2.gz LDJFKFXNRHGXJB-UHFFFAOYSA-N 1 2 222.317 1.998 20 0 BDADLO CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000046332126 344578693 /nfs/dbraw/zinc/57/86/93/344578693.db2.gz HLPAVNHPBCPJPU-UHFFFAOYSA-N 1 2 223.663 1.624 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641472513 362441391 /nfs/dbraw/zinc/44/13/91/362441391.db2.gz CEVJTSZCWZVXOK-PEGIJTEDSA-N 1 2 236.315 1.942 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577624438 344583822 /nfs/dbraw/zinc/58/38/22/344583822.db2.gz LGMWSSLVXYUZGC-ZETCQYMHSA-N 1 2 247.302 1.567 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577624438 344583824 /nfs/dbraw/zinc/58/38/24/344583824.db2.gz LGMWSSLVXYUZGC-ZETCQYMHSA-N 1 2 247.302 1.567 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@]3(CCOC3)C2)c1 ZINC000641432231 362414420 /nfs/dbraw/zinc/41/44/20/362414420.db2.gz NIEJTZXONPEYNM-CYBMUJFWSA-N 1 2 234.299 1.191 20 0 BDADLO C[C@@H]1CC[C@H](C)N1c1cc(CO)cc[nH+]1 ZINC000641434857 362415006 /nfs/dbraw/zinc/41/50/06/362415006.db2.gz XPPLNWXLLJMVOU-AOOOYVTPSA-N 1 2 206.289 1.951 20 0 BDADLO C[C@H](C[C@H]1CCOC1)Nc1cc(CO)cc[nH+]1 ZINC000641436155 362417622 /nfs/dbraw/zinc/41/76/22/362417622.db2.gz PWDSENRDLRHCQQ-ZYHUDNBSSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@@H](C[C@@H]1CCOC1)Nc1cc(CO)cc[nH+]1 ZINC000641436153 362417784 /nfs/dbraw/zinc/41/77/84/362417784.db2.gz PWDSENRDLRHCQQ-JQWIXIFHSA-N 1 2 236.315 1.801 20 0 BDADLO COC(=O)C1CC[NH+](Cc2cscn2)CC1 ZINC000048776484 344589532 /nfs/dbraw/zinc/58/95/32/344589532.db2.gz DVTJJCBTGUCEFW-UHFFFAOYSA-N 1 2 240.328 1.528 20 0 BDADLO C[C@H]1C[C@@H](CNc2cc(CO)cc[nH+]2)CCO1 ZINC000641478393 362447220 /nfs/dbraw/zinc/44/72/20/362447220.db2.gz PPMCUNCTOIGOON-QWRGUYRKSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)CCO1 ZINC000641475962 362448538 /nfs/dbraw/zinc/44/85/38/362448538.db2.gz VYFVLTHQOLSSEH-BDAKNGLRSA-N 1 2 210.252 1.622 20 0 BDADLO Cc1nnc(CNc2cc[nH+]cc2F)n1C1CC1 ZINC000641483218 362451071 /nfs/dbraw/zinc/45/10/71/362451071.db2.gz YSOZKERQWXATSP-UHFFFAOYSA-N 1 2 247.277 1.490 20 0 BDADLO Cn1ccc(CCNc2cc[nH+]cc2F)n1 ZINC000641489521 362457467 /nfs/dbraw/zinc/45/74/67/362457467.db2.gz OXZPSHWBPHWBIW-UHFFFAOYSA-N 1 2 220.251 1.031 20 0 BDADLO OCc1cc[nH+]c(N2CCCC3(CC3)C2)c1 ZINC000641497645 362463307 /nfs/dbraw/zinc/46/33/07/362463307.db2.gz SLKIEXLIPRATIX-UHFFFAOYSA-N 1 2 218.300 1.954 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@H](n2cncn2)C1 ZINC000641501196 362464543 /nfs/dbraw/zinc/46/45/43/362464543.db2.gz TXUOMADAEYTVIO-SECBINFHSA-N 1 2 233.250 1.264 20 0 BDADLO OCCC1(CNc2cc[nH+]cc2F)CC1 ZINC000641504338 362467882 /nfs/dbraw/zinc/46/78/82/362467882.db2.gz LTFLEYWXDZCISV-UHFFFAOYSA-N 1 2 210.252 1.217 20 0 BDADLO CC1(C)CC[C@@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641504969 362468037 /nfs/dbraw/zinc/46/80/37/362468037.db2.gz VGAWPVXCKBAMFO-NSHDSACASA-N 1 2 236.315 1.943 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(F)n1 ZINC000049239331 344600773 /nfs/dbraw/zinc/60/07/73/344600773.db2.gz USYJFQGSZFMPHE-SECBINFHSA-N 1 2 220.251 1.918 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@H](C)[C@@H](C)O1 ZINC000641521678 362478929 /nfs/dbraw/zinc/47/89/29/362478929.db2.gz LPFKGKYFMZENEU-GMTAPVOTSA-N 1 2 236.315 1.576 20 0 BDADLO COCCO[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641536621 362486415 /nfs/dbraw/zinc/48/64/15/362486415.db2.gz QLIHHGIKDIROSU-SNVBAGLBSA-N 1 2 240.278 1.462 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H](CCF)C2)n1 ZINC000626006501 344665190 /nfs/dbraw/zinc/66/51/90/344665190.db2.gz ZOBGCQPAZKJUSH-GFCCVEGCSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H](CCF)C2)n1 ZINC000626006501 344665191 /nfs/dbraw/zinc/66/51/91/344665191.db2.gz ZOBGCQPAZKJUSH-GFCCVEGCSA-N 1 2 239.294 1.345 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@H+](Cc1csnn1)C2 ZINC000626015507 344671458 /nfs/dbraw/zinc/67/14/58/344671458.db2.gz YBQNNVLATCFPMC-GXSJLCMTSA-N 1 2 239.344 1.133 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@@H+](Cc1csnn1)C2 ZINC000626015507 344671459 /nfs/dbraw/zinc/67/14/59/344671459.db2.gz YBQNNVLATCFPMC-GXSJLCMTSA-N 1 2 239.344 1.133 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nncs1 ZINC000104140530 187292295 /nfs/dbraw/zinc/29/22/95/187292295.db2.gz HOBGHBQBQLTYBC-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nncs1 ZINC000104140530 187292296 /nfs/dbraw/zinc/29/22/96/187292296.db2.gz HOBGHBQBQLTYBC-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO COC(=O)C[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000050084930 344639890 /nfs/dbraw/zinc/63/98/90/344639890.db2.gz RTCNAIIJQFNGDL-NSHDSACASA-N 1 2 249.314 1.707 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OC(C)(C)C ZINC000496485337 530016341 /nfs/dbraw/zinc/01/63/41/530016341.db2.gz FFIGSYPIKWDNIO-UHFFFAOYSA-N 1 2 211.265 1.777 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OC(C)(C)C ZINC000496485337 530016343 /nfs/dbraw/zinc/01/63/43/530016343.db2.gz FFIGSYPIKWDNIO-UHFFFAOYSA-N 1 2 211.265 1.777 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626046966 344698547 /nfs/dbraw/zinc/69/85/47/344698547.db2.gz ZAJISBYDXONXBF-QNSHHTMESA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626046966 344698549 /nfs/dbraw/zinc/69/85/49/344698549.db2.gz ZAJISBYDXONXBF-QNSHHTMESA-N 1 2 225.292 1.142 20 0 BDADLO CCOC(=O)CSCc1cn(C)c[nH+]1 ZINC000603299770 349915940 /nfs/dbraw/zinc/91/59/40/349915940.db2.gz LPKIBVIPBIIQKI-UHFFFAOYSA-N 1 2 214.290 1.216 20 0 BDADLO C[C@@H](NC(=O)c1cccnc1)c1[nH+]ccn1C ZINC000082278875 344715439 /nfs/dbraw/zinc/71/54/39/344715439.db2.gz DXRZBBKKUDPWKN-SECBINFHSA-N 1 2 230.271 1.306 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOCC(F)(F)F ZINC000050066510 344718196 /nfs/dbraw/zinc/71/81/96/344718196.db2.gz BWPZEAWSNJGXCN-UHFFFAOYSA-N 1 2 243.225 1.060 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOCC(F)(F)F ZINC000050066510 344718197 /nfs/dbraw/zinc/71/81/97/344718197.db2.gz BWPZEAWSNJGXCN-UHFFFAOYSA-N 1 2 243.225 1.060 20 0 BDADLO O=C1CC2(CN1)CCN(c1cccc[nH+]1)CC2 ZINC000075065814 344764631 /nfs/dbraw/zinc/76/46/31/344764631.db2.gz YNWZXOHCSPBFGA-UHFFFAOYSA-N 1 2 231.299 1.188 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000075290518 344770008 /nfs/dbraw/zinc/77/00/08/344770008.db2.gz WTYPIJBEMNGSKZ-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)OCC1CC1 ZINC000496562675 530027611 /nfs/dbraw/zinc/02/76/11/530027611.db2.gz MYLLNYPSCJNGGT-UHFFFAOYSA-N 1 2 223.276 1.399 20 0 BDADLO COCC[N@H+](C)Cc1csc(COC)n1 ZINC000075643863 344782469 /nfs/dbraw/zinc/78/24/69/344782469.db2.gz LTDCFBHSGHWUJZ-UHFFFAOYSA-N 1 2 230.333 1.368 20 0 BDADLO COCC[N@@H+](C)Cc1csc(COC)n1 ZINC000075643863 344782470 /nfs/dbraw/zinc/78/24/70/344782470.db2.gz LTDCFBHSGHWUJZ-UHFFFAOYSA-N 1 2 230.333 1.368 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000076052887 344793413 /nfs/dbraw/zinc/79/34/13/344793413.db2.gz DBIPCIWEOOTIGR-NXEZZACHSA-N 1 2 234.303 1.201 20 0 BDADLO Cc1[nH]c(CN2C[C@H](C)OC[C@H]2C)[nH+]c1C ZINC000628140525 344805608 /nfs/dbraw/zinc/80/56/08/344805608.db2.gz NYNSORDCOLDYFY-BDAKNGLRSA-N 1 2 223.320 1.636 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCC(F)(F)F ZINC000077312247 344815889 /nfs/dbraw/zinc/81/58/89/344815889.db2.gz OWIAGQZNQFHBAU-SSDOTTSWSA-N 1 2 247.282 1.304 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC(F)(F)F ZINC000077312247 344815891 /nfs/dbraw/zinc/81/58/91/344815891.db2.gz OWIAGQZNQFHBAU-SSDOTTSWSA-N 1 2 247.282 1.304 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000628162050 344862425 /nfs/dbraw/zinc/86/24/25/344862425.db2.gz BNPXKNOUMCOKKJ-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000628162050 344862426 /nfs/dbraw/zinc/86/24/26/344862426.db2.gz BNPXKNOUMCOKKJ-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCSC[C@H]2CCO)n1 ZINC000628190005 344942185 /nfs/dbraw/zinc/94/21/85/344942185.db2.gz SXAOLLSZIKFGGE-SNVBAGLBSA-N 1 2 241.360 1.018 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCSC[C@H]2CCO)n1 ZINC000628190005 344942186 /nfs/dbraw/zinc/94/21/86/344942186.db2.gz SXAOLLSZIKFGGE-SNVBAGLBSA-N 1 2 241.360 1.018 20 0 BDADLO COC(=O)C[N@H+](CCOCC1CC1)C1CC1 ZINC000079501316 344981883 /nfs/dbraw/zinc/98/18/83/344981883.db2.gz KAFOCMNEOJUYEY-UHFFFAOYSA-N 1 2 227.304 1.050 20 0 BDADLO COC(=O)C[N@@H+](CCOCC1CC1)C1CC1 ZINC000079501316 344981886 /nfs/dbraw/zinc/98/18/86/344981886.db2.gz KAFOCMNEOJUYEY-UHFFFAOYSA-N 1 2 227.304 1.050 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)on1 ZINC000583448832 344994924 /nfs/dbraw/zinc/99/49/24/344994924.db2.gz QQZMEYRLSNHECG-PRHODGIISA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)on1 ZINC000583448832 344994927 /nfs/dbraw/zinc/99/49/27/344994927.db2.gz QQZMEYRLSNHECG-PRHODGIISA-N 1 2 238.287 1.080 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)nc1 ZINC000153979560 345004411 /nfs/dbraw/zinc/00/44/11/345004411.db2.gz UJULOLQXJJYPFU-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153979560 345004413 /nfs/dbraw/zinc/00/44/13/345004413.db2.gz UJULOLQXJJYPFU-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO OCc1cc[nH+]c(NCCCOC(F)F)c1 ZINC000641558490 362503081 /nfs/dbraw/zinc/50/30/81/362503081.db2.gz UGDMNUYWQLBOPN-UHFFFAOYSA-N 1 2 232.230 1.037 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCOC2(CCC2)C1 ZINC000154174367 345019658 /nfs/dbraw/zinc/01/96/58/345019658.db2.gz BCOSSQXXGZDOSP-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCOC2(CCC2)C1 ZINC000154174367 345019662 /nfs/dbraw/zinc/01/96/62/345019662.db2.gz BCOSSQXXGZDOSP-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC2(CCC2)C1 ZINC000154319268 345024986 /nfs/dbraw/zinc/02/49/86/345024986.db2.gz JGULOQJZVMAJJZ-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)CC1CC1 ZINC000079723131 345026070 /nfs/dbraw/zinc/02/60/70/345026070.db2.gz UACCPFRVVFPTHC-UHFFFAOYSA-N 1 2 233.315 1.911 20 0 BDADLO Cc1ccc(CN(CCO)c2cc[nH+]c(C)n2)o1 ZINC000360240567 187299546 /nfs/dbraw/zinc/29/95/46/187299546.db2.gz FZPSPEAVODVEIM-UHFFFAOYSA-N 1 2 247.298 1.685 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000154835787 345053163 /nfs/dbraw/zinc/05/31/63/345053163.db2.gz UBQDXQDCMKHOIC-QWHCGFSZSA-N 1 2 247.342 1.778 20 0 BDADLO Cc1cc(F)cc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000080006022 345078316 /nfs/dbraw/zinc/07/83/16/345078316.db2.gz BRZQWVLVYMQQCH-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1ccon1 ZINC000155490074 345083739 /nfs/dbraw/zinc/08/37/39/345083739.db2.gz LTLQYTUHVASKCH-UHFFFAOYSA-N 1 2 233.227 1.259 20 0 BDADLO CCn1cc(CNc2cc(CO)cc[nH+]2)cn1 ZINC000641594520 362535859 /nfs/dbraw/zinc/53/58/59/362535859.db2.gz KZCUPIHEEKOIBT-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CC[C@](C)(CNc1cc[nH+]cc1F)OC ZINC000641637143 362568241 /nfs/dbraw/zinc/56/82/41/362568241.db2.gz WPWRNZNJULUJED-LLVKDONJSA-N 1 2 212.268 1.870 20 0 BDADLO C[C@@]12COC[C@H]1CN(c1cc[nH+]cc1F)C2 ZINC000641658128 362582099 /nfs/dbraw/zinc/58/20/99/362582099.db2.gz BZPRAYQFWLSKIG-BXKDBHETSA-N 1 2 222.263 1.693 20 0 BDADLO CC[C@H](C)C[C@H](CO)Nc1cc[nH+]cc1F ZINC000641646546 362573482 /nfs/dbraw/zinc/57/34/82/362573482.db2.gz UREMSVKWFGBKOX-VHSXEESVSA-N 1 2 226.295 1.852 20 0 BDADLO CO[C@@H](CNc1cc[nH+]cc1F)[C@@H]1CCOC1 ZINC000641657189 362580983 /nfs/dbraw/zinc/58/09/83/362580983.db2.gz PLMNQENGLSREFD-SKDRFNHKSA-N 1 2 240.278 1.106 20 0 BDADLO CC[NH+]1CCN(C(=O)C2(SC)CCC2)CC1 ZINC000334491376 345106240 /nfs/dbraw/zinc/10/62/40/345106240.db2.gz ZWZKMLQTFKJCSO-UHFFFAOYSA-N 1 2 242.388 1.436 20 0 BDADLO CC1(C)COC[C@H]1Nc1cc[nH+]cc1F ZINC000641628941 362558656 /nfs/dbraw/zinc/55/86/56/362558656.db2.gz HQKWFTFLVBWPOG-SNVBAGLBSA-N 1 2 210.252 1.480 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641630312 362559206 /nfs/dbraw/zinc/55/92/06/362559206.db2.gz UATOTQHYGMOWAG-MNOVXSKESA-N 1 2 222.288 1.553 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2CC[C@H](C)O2)no1 ZINC000408310056 345111003 /nfs/dbraw/zinc/11/10/03/345111003.db2.gz POSCJSVDDXRLIS-WPRPVWTQSA-N 1 2 239.319 1.770 20 0 BDADLO CO[C@@H]([C@@H](C)Nc1cc[nH+]cc1F)C1CC1 ZINC000641631935 362563166 /nfs/dbraw/zinc/56/31/66/362563166.db2.gz YMSRUDDVTDUMEM-PELKAZGASA-N 1 2 224.279 1.868 20 0 BDADLO CNC(=O)CSCCc1[nH]c2ccccc2[nH+]1 ZINC000603331069 349924729 /nfs/dbraw/zinc/92/47/29/349924729.db2.gz QLPFTDVJRVNGEE-UHFFFAOYSA-N 1 2 249.339 1.585 20 0 BDADLO FCC1([NH2+]Cc2ccon2)CCOCC1 ZINC000634982395 345163203 /nfs/dbraw/zinc/16/32/03/345163203.db2.gz KTRLMJIRMLMCRI-UHFFFAOYSA-N 1 2 214.240 1.283 20 0 BDADLO Cc1cc(C)c(C[NH2+]Cc2ccon2)cn1 ZINC000634983562 345166256 /nfs/dbraw/zinc/16/62/56/345166256.db2.gz RQMLXKHTMOZHDX-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO OCc1ccccc1C[NH2+]Cc1ccon1 ZINC000634955564 345133662 /nfs/dbraw/zinc/13/36/62/345133662.db2.gz KKCPABAFJYPJAS-UHFFFAOYSA-N 1 2 218.256 1.457 20 0 BDADLO CN(C)c1ccc(NCc2ccon2)[nH+]c1 ZINC000634969341 345146607 /nfs/dbraw/zinc/14/66/07/345146607.db2.gz LSBAKPHEWFUBSF-UHFFFAOYSA-N 1 2 218.260 1.170 20 0 BDADLO Cc1c[nH+]cc(N[C@@H]2CCNC(=O)CC2)c1 ZINC000634972128 345146912 /nfs/dbraw/zinc/14/69/12/345146912.db2.gz PCHHTFOHIIIJLI-JTQLQIEISA-N 1 2 219.288 1.471 20 0 BDADLO CCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635064527 345235655 /nfs/dbraw/zinc/23/56/55/345235655.db2.gz DIPPXKXMUIKULP-UHFFFAOYSA-N 1 2 209.293 1.431 20 0 BDADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC1CC1 ZINC000635089291 345244344 /nfs/dbraw/zinc/24/43/44/345244344.db2.gz YFVNULAUXUMGMV-QMMMGPOBSA-N 1 2 247.220 1.655 20 0 BDADLO O=C(NCCc1ccco1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635118007 345250497 /nfs/dbraw/zinc/25/04/97/345250497.db2.gz QGWLNNXUHPQXOD-GHMZBOCLSA-N 1 2 245.282 1.465 20 0 BDADLO O=C(NCCc1ccco1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635118007 345250501 /nfs/dbraw/zinc/25/05/01/345250501.db2.gz QGWLNNXUHPQXOD-GHMZBOCLSA-N 1 2 245.282 1.465 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000635016324 345221176 /nfs/dbraw/zinc/22/11/76/345221176.db2.gz LXOFRMPHXJBERI-QWRGUYRKSA-N 1 2 249.314 1.452 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000635016324 345221177 /nfs/dbraw/zinc/22/11/77/345221177.db2.gz LXOFRMPHXJBERI-QWRGUYRKSA-N 1 2 249.314 1.452 20 0 BDADLO COC(=O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000051100081 345258072 /nfs/dbraw/zinc/25/80/72/345258072.db2.gz YKXRNBSAQWTCRC-LLVKDONJSA-N 1 2 225.313 1.962 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)C2CCCC2)[nH+]1 ZINC000635184642 345268401 /nfs/dbraw/zinc/26/84/01/345268401.db2.gz BHQQCUUXAILFRE-UHFFFAOYSA-N 1 2 235.331 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ccc(C)cn2)[nH+]1 ZINC000635225701 345278798 /nfs/dbraw/zinc/27/87/98/345278798.db2.gz LHASMZDILGZUPV-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cnc2cnccn12 ZINC000130868306 345288251 /nfs/dbraw/zinc/28/82/51/345288251.db2.gz XESXBXRUIQHWHS-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cnc2cnccn12 ZINC000130868306 345288256 /nfs/dbraw/zinc/28/82/56/345288256.db2.gz XESXBXRUIQHWHS-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635263244 345290691 /nfs/dbraw/zinc/29/06/91/345290691.db2.gz LUYXEPWWPYKQMN-RKDXNWHRSA-N 1 2 205.261 1.134 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635263244 345290693 /nfs/dbraw/zinc/29/06/93/345290693.db2.gz LUYXEPWWPYKQMN-RKDXNWHRSA-N 1 2 205.261 1.134 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)Cc2ccoc2)[nH+]1 ZINC000635407040 345350984 /nfs/dbraw/zinc/35/09/84/345350984.db2.gz VKELEWBRALWAJG-UHFFFAOYSA-N 1 2 247.298 1.766 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC(C)(C)C)[nH+]1 ZINC000635414288 345353618 /nfs/dbraw/zinc/35/36/18/345353618.db2.gz IFIPHKWUQJZOAC-UHFFFAOYSA-N 1 2 223.320 1.677 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427990656 345359155 /nfs/dbraw/zinc/35/91/55/345359155.db2.gz IWGDWTAWAXOVHW-TUAOUCFPSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(NC[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635423891 345361791 /nfs/dbraw/zinc/36/17/91/345361791.db2.gz HHMQLTFULXNRFI-HBNTYKKESA-N 1 2 249.314 1.199 20 0 BDADLO O=C(NC[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635423891 345361796 /nfs/dbraw/zinc/36/17/96/345361796.db2.gz HHMQLTFULXNRFI-HBNTYKKESA-N 1 2 249.314 1.199 20 0 BDADLO CCCC[C@@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000135238736 345435581 /nfs/dbraw/zinc/43/55/81/345435581.db2.gz LGZUVUJSRSPDBT-GFCCVEGCSA-N 1 2 238.331 1.847 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080917537 345451088 /nfs/dbraw/zinc/45/10/88/345451088.db2.gz KYOVHVMPYIIBMI-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080917537 345451092 /nfs/dbraw/zinc/45/10/92/345451092.db2.gz KYOVHVMPYIIBMI-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@H]2CC)[nH+]1 ZINC000635486151 345393944 /nfs/dbraw/zinc/39/39/44/345393944.db2.gz CEFMHDCWQKVNCG-LLVKDONJSA-N 1 2 235.331 1.916 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635506150 345402324 /nfs/dbraw/zinc/40/23/24/345402324.db2.gz NIDYIPMURUPVRB-DBIOUOCHSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635506150 345402326 /nfs/dbraw/zinc/40/23/26/345402326.db2.gz NIDYIPMURUPVRB-DBIOUOCHSA-N 1 2 233.315 1.818 20 0 BDADLO O=C(CC1CC1)NCCCCn1cc[nH+]c1 ZINC000082268467 345499452 /nfs/dbraw/zinc/49/94/52/345499452.db2.gz UBCGXGGCYQXJSK-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CC(C)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000080975460 345456922 /nfs/dbraw/zinc/45/69/22/345456922.db2.gz KAAZVORXXFKKBA-GFCCVEGCSA-N 1 2 247.342 1.823 20 0 BDADLO c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccn[nH]2)c1 ZINC000081197288 345467215 /nfs/dbraw/zinc/46/72/15/345467215.db2.gz UHIYLEOUNSLBEN-CHWSQXEVSA-N 1 2 245.330 1.880 20 0 BDADLO CSC[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000172471682 187305749 /nfs/dbraw/zinc/30/57/49/187305749.db2.gz CRYPFRQCQAUJOL-SECBINFHSA-N 1 2 249.339 1.816 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC23CCC3)no1 ZINC000081544910 345477988 /nfs/dbraw/zinc/47/79/88/345477988.db2.gz NJMVJZBSXCQXTL-UHFFFAOYSA-N 1 2 235.287 1.550 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC23CCC3)no1 ZINC000081544910 345477990 /nfs/dbraw/zinc/47/79/90/345477990.db2.gz NJMVJZBSXCQXTL-UHFFFAOYSA-N 1 2 235.287 1.550 20 0 BDADLO CCc1cc(C(=O)Nc2cc[nH+]cc2C)n(C)n1 ZINC000635534602 345483992 /nfs/dbraw/zinc/48/39/92/345483992.db2.gz HAHCEKBTWMLSQI-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO CCOC(=O)C[C@@H](C)CNc1cc(C)[nH+]cn1 ZINC000089650186 345557880 /nfs/dbraw/zinc/55/78/80/345557880.db2.gz FNWHYHFSJVQPMM-SECBINFHSA-N 1 2 237.303 1.786 20 0 BDADLO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091551883 345597683 /nfs/dbraw/zinc/59/76/83/345597683.db2.gz CGNCKYMHLPKYNJ-VIFPVBQESA-N 1 2 238.335 1.499 20 0 BDADLO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091551883 345597686 /nfs/dbraw/zinc/59/76/86/345597686.db2.gz CGNCKYMHLPKYNJ-VIFPVBQESA-N 1 2 238.335 1.499 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000091554710 345598016 /nfs/dbraw/zinc/59/80/16/345598016.db2.gz PECOFVQSJRNGSL-JTQLQIEISA-N 1 2 246.314 1.334 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000091554710 345598021 /nfs/dbraw/zinc/59/80/21/345598021.db2.gz PECOFVQSJRNGSL-JTQLQIEISA-N 1 2 246.314 1.334 20 0 BDADLO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594431 345600333 /nfs/dbraw/zinc/60/03/33/345600333.db2.gz WYNOTLPZNIXQMF-UWVGGRQHSA-N 1 2 238.335 1.499 20 0 BDADLO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594431 345600335 /nfs/dbraw/zinc/60/03/35/345600335.db2.gz WYNOTLPZNIXQMF-UWVGGRQHSA-N 1 2 238.335 1.499 20 0 BDADLO Cc1cc(N(C)C[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000091629582 345602003 /nfs/dbraw/zinc/60/20/03/345602003.db2.gz TYRJBOXILGQENX-SSDOTTSWSA-N 1 2 235.209 1.144 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078138 345582542 /nfs/dbraw/zinc/58/25/42/345582542.db2.gz LBPKFOGOJGSMKC-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000091078138 345582543 /nfs/dbraw/zinc/58/25/43/345582543.db2.gz LBPKFOGOJGSMKC-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1nnc(CCC(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000635552579 345636215 /nfs/dbraw/zinc/63/62/15/345636215.db2.gz VKBONIQVGXXQKL-UHFFFAOYSA-N 1 2 246.270 1.075 20 0 BDADLO CCOCC[N@H+](C)Cc1ncc(CC)o1 ZINC000093312214 345661361 /nfs/dbraw/zinc/66/13/61/345661361.db2.gz DQHROHBYYFXZKO-UHFFFAOYSA-N 1 2 212.293 1.705 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncc(CC)o1 ZINC000093312214 345661363 /nfs/dbraw/zinc/66/13/63/345661363.db2.gz DQHROHBYYFXZKO-UHFFFAOYSA-N 1 2 212.293 1.705 20 0 BDADLO CCc1cccc(C(=O)N2CC[NH+](C)CC2)c1O ZINC000093899977 345667489 /nfs/dbraw/zinc/66/74/89/345667489.db2.gz VHNCZMFZTIMLCR-UHFFFAOYSA-N 1 2 248.326 1.342 20 0 BDADLO Cc1cc(N2C[C@H]3C[C@@]3(O)C2)nc(C2CC2)[nH+]1 ZINC000641713224 362625605 /nfs/dbraw/zinc/62/56/05/362625605.db2.gz NLEJHWTZFVEHSO-ZWNOBZJWSA-N 1 2 231.299 1.233 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1C[C@H]2C[C@@]2(O)C1 ZINC000641713485 362626941 /nfs/dbraw/zinc/62/69/41/362626941.db2.gz SVDJZVCENFYLGG-YMTOWFKASA-N 1 2 241.294 1.388 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000092970999 345650029 /nfs/dbraw/zinc/65/00/29/345650029.db2.gz WLGMGBQNSYPLGN-JTQLQIEISA-N 1 2 223.320 1.311 20 0 BDADLO CCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC000092963134 345650051 /nfs/dbraw/zinc/65/00/51/345650051.db2.gz SLGFVKTURYEVPH-UHFFFAOYSA-N 1 2 223.320 1.875 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc[nH+]cc1F ZINC000641677634 362598381 /nfs/dbraw/zinc/59/83/81/362598381.db2.gz KYRUOPUULWSYCX-MNOVXSKESA-N 1 2 210.252 1.622 20 0 BDADLO CC(C)CC[C@H](CO)Nc1cc[nH+]cc1F ZINC000641678233 362599762 /nfs/dbraw/zinc/59/97/62/362599762.db2.gz SOQCCXLXLCOICP-SNVBAGLBSA-N 1 2 226.295 1.852 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1C1CSC1 ZINC000260995296 345680624 /nfs/dbraw/zinc/68/06/24/345680624.db2.gz RJACAKLSCKMDOT-SECBINFHSA-N 1 2 215.318 1.129 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1C1CSC1 ZINC000260995296 345680630 /nfs/dbraw/zinc/68/06/30/345680630.db2.gz RJACAKLSCKMDOT-SECBINFHSA-N 1 2 215.318 1.129 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3c(n2)CCC3)n[nH]1 ZINC000641719629 362635284 /nfs/dbraw/zinc/63/52/84/362635284.db2.gz XKXIXEVOXYRWDO-UHFFFAOYSA-N 1 2 228.299 1.583 20 0 BDADLO CC(F)(F)CNc1cc[nH+]c(C2CC2)n1 ZINC000378859935 345690881 /nfs/dbraw/zinc/69/08/81/345690881.db2.gz NXHKIRLHNRCUHV-UHFFFAOYSA-N 1 2 213.231 1.843 20 0 BDADLO O=C1C[N@H+](CCc2ccc(Cl)cc2)CCN1 ZINC000113223835 345691509 /nfs/dbraw/zinc/69/15/09/345691509.db2.gz ATTPCQLCPHOVGA-UHFFFAOYSA-N 1 2 238.718 1.314 20 0 BDADLO O=C1C[N@@H+](CCc2ccc(Cl)cc2)CCN1 ZINC000113223835 345691511 /nfs/dbraw/zinc/69/15/11/345691511.db2.gz ATTPCQLCPHOVGA-UHFFFAOYSA-N 1 2 238.718 1.314 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)c2nnnn2C)CCS1 ZINC000189480725 259384524 /nfs/dbraw/zinc/38/45/24/259384524.db2.gz MROAHVVHJGABLL-IUCAKERBSA-N 1 2 241.364 1.099 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)c2nnnn2C)CCS1 ZINC000189480725 259384526 /nfs/dbraw/zinc/38/45/26/259384526.db2.gz MROAHVVHJGABLL-IUCAKERBSA-N 1 2 241.364 1.099 20 0 BDADLO CC(C)n1ccc(C[NH2+]Cc2ccncc2N)n1 ZINC000641724600 362640432 /nfs/dbraw/zinc/64/04/32/362640432.db2.gz DBARPNUYWUIPDH-UHFFFAOYSA-N 1 2 245.330 1.731 20 0 BDADLO Cc1nc(N(C)C)nc(NCc2cccs2)[nH+]1 ZINC000222591995 345748298 /nfs/dbraw/zinc/74/82/98/345748298.db2.gz AMDZDKXGDLQGNU-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1nc(NCc2cccs2)nc(N(C)C)[nH+]1 ZINC000222591995 345748304 /nfs/dbraw/zinc/74/83/04/345748304.db2.gz AMDZDKXGDLQGNU-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO c1nc2c(s1)CN(Cc1c[nH+]c[nH]1)CC2 ZINC000231382349 345752953 /nfs/dbraw/zinc/75/29/53/345752953.db2.gz KFRPVMNEERVFBQ-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO c1nc2c(s1)CN(Cc1c[nH]c[nH+]1)CC2 ZINC000231382349 345752955 /nfs/dbraw/zinc/75/29/55/345752955.db2.gz KFRPVMNEERVFBQ-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO Cc1ccc(C[N@H+](C)CC2OCCO2)o1 ZINC000181990023 187309571 /nfs/dbraw/zinc/30/95/71/187309571.db2.gz XUNGXFCOGZFTRE-UHFFFAOYSA-N 1 2 211.261 1.393 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC2OCCO2)o1 ZINC000181990023 187309573 /nfs/dbraw/zinc/30/95/73/187309573.db2.gz XUNGXFCOGZFTRE-UHFFFAOYSA-N 1 2 211.261 1.393 20 0 BDADLO Cc1nc(N(C)C)nc(NCc2ccccc2)[nH+]1 ZINC000147047741 345710308 /nfs/dbraw/zinc/71/03/08/345710308.db2.gz KDVOXOYAOZIPJM-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1nc(NCc2ccccc2)nc(N(C)C)[nH+]1 ZINC000147047741 345710310 /nfs/dbraw/zinc/71/03/10/345710310.db2.gz KDVOXOYAOZIPJM-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CCC(=O)CCCSC[C@@H]1C[N@H+](C)CCO1 ZINC000400843526 345826833 /nfs/dbraw/zinc/82/68/33/345826833.db2.gz CYWVEDLBVGTVCL-LBPRGKRZSA-N 1 2 245.388 1.810 20 0 BDADLO CCC(=O)CCCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000400843526 345826836 /nfs/dbraw/zinc/82/68/36/345826836.db2.gz CYWVEDLBVGTVCL-LBPRGKRZSA-N 1 2 245.388 1.810 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000141007549 345828682 /nfs/dbraw/zinc/82/86/82/345828682.db2.gz GLIBTEJKRRNLFI-ZJUUUORDSA-N 1 2 237.303 1.546 20 0 BDADLO CC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635572443 345829490 /nfs/dbraw/zinc/82/94/90/345829490.db2.gz JOGTYLQTSMTRLS-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635572443 345829494 /nfs/dbraw/zinc/82/94/94/345829494.db2.gz JOGTYLQTSMTRLS-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO Cc1nc(C[N@@H+](C)C2Cc3ccccc3C2)no1 ZINC000141202359 345839050 /nfs/dbraw/zinc/83/90/50/345839050.db2.gz XFTHKJBCRGHDSJ-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO Cc1nc(C[N@H+](C)C2Cc3ccccc3C2)no1 ZINC000141202359 345839053 /nfs/dbraw/zinc/83/90/53/345839053.db2.gz XFTHKJBCRGHDSJ-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635595865 345881974 /nfs/dbraw/zinc/88/19/74/345881974.db2.gz GMZIXIQEZDLZND-LMLFDSFASA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635595865 345881977 /nfs/dbraw/zinc/88/19/77/345881977.db2.gz GMZIXIQEZDLZND-LMLFDSFASA-N 1 2 233.315 1.770 20 0 BDADLO O=C(NCCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635626243 345899946 /nfs/dbraw/zinc/89/99/46/345899946.db2.gz LKIPSVACKUGLFR-RNFRBKRXSA-N 1 2 247.220 1.582 20 0 BDADLO O=C(NCCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635626243 345899948 /nfs/dbraw/zinc/89/99/48/345899948.db2.gz LKIPSVACKUGLFR-RNFRBKRXSA-N 1 2 247.220 1.582 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@H](C)[C@H](C)C2)[nH+]1 ZINC000635627898 345900442 /nfs/dbraw/zinc/90/04/42/345900442.db2.gz DONQDFIFBZBYPF-AOOOYVTPSA-N 1 2 235.331 1.629 20 0 BDADLO CC[C@H]1CCCCN1c1cc(N)nc[nH+]1 ZINC000087808991 345942081 /nfs/dbraw/zinc/94/20/81/345942081.db2.gz MCMWJIXLWILAMI-VIFPVBQESA-N 1 2 206.293 1.828 20 0 BDADLO Cc1nnc(C[N@@H+](C)C(C)(C)CO)n1C1CC1 ZINC000605574930 345968759 /nfs/dbraw/zinc/96/87/59/345968759.db2.gz ADJBHOLRSLIXAB-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+](C)C(C)(C)CO)n1C1CC1 ZINC000605574930 345968763 /nfs/dbraw/zinc/96/87/63/345968763.db2.gz ADJBHOLRSLIXAB-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000635676134 345972575 /nfs/dbraw/zinc/97/25/75/345972575.db2.gz WBGDCOYNAHCMNR-NNYUYHANSA-N 1 2 245.326 1.772 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000635676134 345972577 /nfs/dbraw/zinc/97/25/77/345972577.db2.gz WBGDCOYNAHCMNR-NNYUYHANSA-N 1 2 245.326 1.772 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC2(CCC2)C1 ZINC000635680941 345976242 /nfs/dbraw/zinc/97/62/42/345976242.db2.gz LXUYIYPPGZRERV-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC2(CCC2)C1 ZINC000635680941 345976243 /nfs/dbraw/zinc/97/62/43/345976243.db2.gz LXUYIYPPGZRERV-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccno2)CCC1(F)F ZINC000404020886 323101566 /nfs/dbraw/zinc/10/15/66/323101566.db2.gz QDRACNZBZZETRA-QMMMGPOBSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccno2)CCC1(F)F ZINC000404020886 323101567 /nfs/dbraw/zinc/10/15/67/323101567.db2.gz QDRACNZBZZETRA-QMMMGPOBSA-N 1 2 232.230 1.124 20 0 BDADLO Cc1nc[nH]c1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000635705195 345991533 /nfs/dbraw/zinc/99/15/33/345991533.db2.gz UTXUVGNVBXWUAZ-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332655839 187365148 /nfs/dbraw/zinc/36/51/48/187365148.db2.gz FANRPNKQKUNQHG-LBPRGKRZSA-N 1 2 238.335 1.911 20 0 BDADLO CC(C)C[C@]1(C)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332655839 187365150 /nfs/dbraw/zinc/36/51/50/187365150.db2.gz FANRPNKQKUNQHG-LBPRGKRZSA-N 1 2 238.335 1.911 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncccn2)CCS1 ZINC000191994726 346079168 /nfs/dbraw/zinc/07/91/68/346079168.db2.gz ZVLSNGKQPLFOHP-SECBINFHSA-N 1 2 209.318 1.414 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncccn2)CCS1 ZINC000191994726 346079171 /nfs/dbraw/zinc/07/91/71/346079171.db2.gz ZVLSNGKQPLFOHP-SECBINFHSA-N 1 2 209.318 1.414 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](CCC)C2)cn1 ZINC000193979515 187315133 /nfs/dbraw/zinc/31/51/33/187315133.db2.gz LDXFNFJMXLPIRG-CYBMUJFWSA-N 1 2 235.331 1.985 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](CCC)C2)cn1 ZINC000193979515 187315135 /nfs/dbraw/zinc/31/51/35/187315135.db2.gz LDXFNFJMXLPIRG-CYBMUJFWSA-N 1 2 235.331 1.985 20 0 BDADLO C[C@H]1OCC[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635792449 346064413 /nfs/dbraw/zinc/06/44/13/346064413.db2.gz HIYFQKPKXZWDHT-PRFIWBCESA-N 1 2 249.314 1.197 20 0 BDADLO C[C@H]1OCC[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635792449 346064414 /nfs/dbraw/zinc/06/44/14/346064414.db2.gz HIYFQKPKXZWDHT-PRFIWBCESA-N 1 2 249.314 1.197 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000193962149 187315495 /nfs/dbraw/zinc/31/54/95/187315495.db2.gz RXSARRYOSQTKHC-GHMZBOCLSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000193962149 187315496 /nfs/dbraw/zinc/31/54/96/187315496.db2.gz RXSARRYOSQTKHC-GHMZBOCLSA-N 1 2 221.304 1.593 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635967295 346126358 /nfs/dbraw/zinc/12/63/58/346126358.db2.gz YKUPERKZXJZGIT-SGIHWFKDSA-N 1 2 219.288 1.380 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635967295 346126361 /nfs/dbraw/zinc/12/63/61/346126361.db2.gz YKUPERKZXJZGIT-SGIHWFKDSA-N 1 2 219.288 1.380 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635978822 346127531 /nfs/dbraw/zinc/12/75/31/346127531.db2.gz VVXXLUAPYSRLEF-FXPVBKGRSA-N 1 2 249.314 1.197 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635978822 346127535 /nfs/dbraw/zinc/12/75/35/346127535.db2.gz VVXXLUAPYSRLEF-FXPVBKGRSA-N 1 2 249.314 1.197 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ncccc2F)o1 ZINC000628229684 346178961 /nfs/dbraw/zinc/17/89/61/346178961.db2.gz DAAXMQKFIVVUHD-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO O=C(NC[C@@H]1C[C@H]1C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636009765 346152561 /nfs/dbraw/zinc/15/25/61/346152561.db2.gz ZNKRCLUWRKJUFC-NNYUYHANSA-N 1 2 245.326 1.676 20 0 BDADLO O=C(NC[C@@H]1C[C@H]1C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636009765 346152564 /nfs/dbraw/zinc/15/25/64/346152564.db2.gz ZNKRCLUWRKJUFC-NNYUYHANSA-N 1 2 245.326 1.676 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]2C(C)C)[nH+]1 ZINC000636018226 346157209 /nfs/dbraw/zinc/15/72/09/346157209.db2.gz KDYBEDDXTDSUMZ-WDEREUQCSA-N 1 2 235.331 1.675 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000628241545 346203789 /nfs/dbraw/zinc/20/37/89/346203789.db2.gz ZZDPHRIMBIVTEF-NSHDSACASA-N 1 2 221.304 1.329 20 0 BDADLO CC[C@]1(C)CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628245105 346209686 /nfs/dbraw/zinc/20/96/86/346209686.db2.gz JRVBLOCXGOORNM-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2oc(C)nc2C)[nH]1 ZINC000628231617 346183780 /nfs/dbraw/zinc/18/37/80/346183780.db2.gz VHKNQMQWONSLOU-MRVPVSSYSA-N 1 2 249.318 1.823 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC2(CC2)CC1 ZINC000673666648 488301757 /nfs/dbraw/zinc/30/17/57/488301757.db2.gz VOQZNWKRZXQKBT-UHFFFAOYSA-N 1 2 219.288 1.286 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000628236549 346191548 /nfs/dbraw/zinc/19/15/48/346191548.db2.gz HEJDJZZSHIRHSO-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000628236549 346191549 /nfs/dbraw/zinc/19/15/49/346191549.db2.gz HEJDJZZSHIRHSO-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO c1cc(C[NH2+]Cc2cnc(C3CC3)o2)on1 ZINC000628238388 346194893 /nfs/dbraw/zinc/19/48/93/346194893.db2.gz XBOYNVJITCFWAY-UHFFFAOYSA-N 1 2 219.244 1.830 20 0 BDADLO C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000684408282 488307697 /nfs/dbraw/zinc/30/76/97/488307697.db2.gz PJBRBKPLSPEJGA-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO Cc1nc(C[NH+]2CC([C@H]3CCOC3)C2)[nH]c1C ZINC000628255818 346249450 /nfs/dbraw/zinc/24/94/50/346249450.db2.gz YWNYICLKRTVONC-NSHDSACASA-N 1 2 235.331 1.495 20 0 BDADLO Cc1[nH]c(CN2CC([C@H]3CCOC3)C2)[nH+]c1C ZINC000628255818 346249453 /nfs/dbraw/zinc/24/94/53/346249453.db2.gz YWNYICLKRTVONC-NSHDSACASA-N 1 2 235.331 1.495 20 0 BDADLO CC1C[NH+](Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000628255718 346249465 /nfs/dbraw/zinc/24/94/65/346249465.db2.gz VKCYKYKEXQPRQC-UHFFFAOYSA-N 1 2 246.289 1.858 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307702693 187318203 /nfs/dbraw/zinc/31/82/03/187318203.db2.gz UPKOOFKETXTLEB-ZWNOBZJWSA-N 1 2 201.335 1.405 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307702693 187318205 /nfs/dbraw/zinc/31/82/05/187318205.db2.gz UPKOOFKETXTLEB-ZWNOBZJWSA-N 1 2 201.335 1.405 20 0 BDADLO CCc1nc(N2C[C@@H](O)C[C@H]2C2CC2)cc(C)[nH+]1 ZINC000631484435 346254913 /nfs/dbraw/zinc/25/49/13/346254913.db2.gz OSKBRTLXMGUULH-RYUDHWBXSA-N 1 2 247.342 1.697 20 0 BDADLO CCc1nc(N2C[C@@H](O)C[C@@H]2C2CC2)cc(C)[nH+]1 ZINC000631484433 346255042 /nfs/dbraw/zinc/25/50/42/346255042.db2.gz OSKBRTLXMGUULH-NWDGAFQWSA-N 1 2 247.342 1.697 20 0 BDADLO CC[C@@]1(O)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000631485897 346265025 /nfs/dbraw/zinc/26/50/25/346265025.db2.gz PHALHSVZSIKTRW-GFCCVEGCSA-N 1 2 221.304 1.526 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000628271455 346282497 /nfs/dbraw/zinc/28/24/97/346282497.db2.gz BAXTVQUEQRUPAU-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000628271455 346282498 /nfs/dbraw/zinc/28/24/98/346282498.db2.gz BAXTVQUEQRUPAU-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO COC1(C)C[NH+](Cc2cnc3ccccc3n2)C1 ZINC000628281393 346293412 /nfs/dbraw/zinc/29/34/12/346293412.db2.gz VXPQFHBTKVKYHI-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC=CC1 ZINC000636144523 346333429 /nfs/dbraw/zinc/33/34/29/346333429.db2.gz GLIPMXRNTDZALA-NXEZZACHSA-N 1 2 231.299 1.738 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC=CC1 ZINC000636144523 346333432 /nfs/dbraw/zinc/33/34/32/346333432.db2.gz GLIPMXRNTDZALA-NXEZZACHSA-N 1 2 231.299 1.738 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC12CC2 ZINC000636101510 346319662 /nfs/dbraw/zinc/31/96/62/346319662.db2.gz ILVWVNORGBEEQA-KOLCDFICSA-N 1 2 231.299 1.114 20 0 BDADLO Cc1ncc(CNc2cc(CO)cc[nH+]2)cn1 ZINC000641764110 362695667 /nfs/dbraw/zinc/69/56/67/362695667.db2.gz OXLWYECGSKJPDN-UHFFFAOYSA-N 1 2 230.271 1.284 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000336266902 187366041 /nfs/dbraw/zinc/36/60/41/187366041.db2.gz MQGKEGDTNISBNP-QMMMGPOBSA-N 1 2 211.265 1.363 20 0 BDADLO CC(C)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000336266902 187366042 /nfs/dbraw/zinc/36/60/42/187366042.db2.gz MQGKEGDTNISBNP-QMMMGPOBSA-N 1 2 211.265 1.363 20 0 BDADLO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000352342658 187366195 /nfs/dbraw/zinc/36/61/95/187366195.db2.gz WSAMBOWLYHATEV-BXKDBHETSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@]1(C)CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000352342658 187366197 /nfs/dbraw/zinc/36/61/97/187366197.db2.gz WSAMBOWLYHATEV-BXKDBHETSA-N 1 2 239.319 1.940 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000636171431 346343920 /nfs/dbraw/zinc/34/39/20/346343920.db2.gz VOEDRSXUYXXYIG-SNVBAGLBSA-N 1 2 239.319 1.165 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000636171431 346343922 /nfs/dbraw/zinc/34/39/22/346343922.db2.gz VOEDRSXUYXXYIG-SNVBAGLBSA-N 1 2 239.319 1.165 20 0 BDADLO C[C@H]([NH2+]Cc1ccncc1N)c1cscn1 ZINC000641771851 362712157 /nfs/dbraw/zinc/71/21/57/362712157.db2.gz JMXSPXMMEXIKOP-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636304840 346384170 /nfs/dbraw/zinc/38/41/70/346384170.db2.gz DHGXGJYESPBDRJ-HTQZYQBOSA-N 1 2 225.267 1.378 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636304840 346384173 /nfs/dbraw/zinc/38/41/73/346384173.db2.gz DHGXGJYESPBDRJ-HTQZYQBOSA-N 1 2 225.267 1.378 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000157709790 346384886 /nfs/dbraw/zinc/38/48/86/346384886.db2.gz VBWKZZOYHOKLMH-SECBINFHSA-N 1 2 207.277 1.045 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636312806 346389033 /nfs/dbraw/zinc/38/90/33/346389033.db2.gz FOLHCMYZDSEWGJ-OXIWPEFWSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636312806 346389035 /nfs/dbraw/zinc/38/90/35/346389035.db2.gz FOLHCMYZDSEWGJ-OXIWPEFWSA-N 1 2 245.326 1.962 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@@H]2CCOC2=O)c1 ZINC000298845890 179068847 /nfs/dbraw/zinc/06/88/47/179068847.db2.gz JRFVRKVSADUQMH-GFCCVEGCSA-N 1 2 219.284 1.742 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@@H]2CCOC2=O)c1 ZINC000298845890 179068849 /nfs/dbraw/zinc/06/88/49/179068849.db2.gz JRFVRKVSADUQMH-GFCCVEGCSA-N 1 2 219.284 1.742 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000341618516 179069213 /nfs/dbraw/zinc/06/92/13/179069213.db2.gz PPWCQFMACYROCK-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000341618516 179069216 /nfs/dbraw/zinc/06/92/16/179069216.db2.gz PPWCQFMACYROCK-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC2(C1)CCCC2 ZINC000336488125 187368310 /nfs/dbraw/zinc/36/83/10/187368310.db2.gz WZEUFLYNGKCDHP-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO Cc1c(NCc2c[nH+]c3ccccn23)nnn1C ZINC000641780957 362721833 /nfs/dbraw/zinc/72/18/33/362721833.db2.gz QCHJVVIIBWMOQI-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336449956 187368379 /nfs/dbraw/zinc/36/83/79/187368379.db2.gz NCAAXARNXDLDIT-QWRGUYRKSA-N 1 2 247.342 1.608 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cnn[nH]2)c1 ZINC000295461873 179065631 /nfs/dbraw/zinc/06/56/31/179065631.db2.gz HYJLBFDITWGXQD-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cnn[nH]2)c1 ZINC000295461873 179065638 /nfs/dbraw/zinc/06/56/38/179065638.db2.gz HYJLBFDITWGXQD-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc2cnccn12)C(F)F ZINC000641793265 362726186 /nfs/dbraw/zinc/72/61/86/362726186.db2.gz HQCNKTGSMWCQCR-SSDOTTSWSA-N 1 2 226.230 1.473 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@H](C2CC2)C1 ZINC000574927844 346416772 /nfs/dbraw/zinc/41/67/72/346416772.db2.gz YSQORMVJIQOJNA-LBPRGKRZSA-N 1 2 233.315 1.709 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)C(F)F ZINC000641792483 362728343 /nfs/dbraw/zinc/72/83/43/362728343.db2.gz WIMRGYGSKSSQRQ-HTQZYQBOSA-N 1 2 215.247 1.961 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000336465895 187368721 /nfs/dbraw/zinc/36/87/21/187368721.db2.gz MPPGEVSNBNDCRY-LLVKDONJSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000336465895 187368722 /nfs/dbraw/zinc/36/87/22/187368722.db2.gz MPPGEVSNBNDCRY-LLVKDONJSA-N 1 2 242.363 1.353 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C)n2)C[C@@H]1F ZINC000679220235 488318672 /nfs/dbraw/zinc/31/86/72/488318672.db2.gz DAPVDKJXZXSAQA-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@@H]1F ZINC000679220235 488318673 /nfs/dbraw/zinc/31/86/73/488318673.db2.gz DAPVDKJXZXSAQA-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000603412558 349961322 /nfs/dbraw/zinc/96/13/22/349961322.db2.gz FDILLZPMGBFKNY-QMMMGPOBSA-N 1 2 216.235 1.008 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000603412558 349961326 /nfs/dbraw/zinc/96/13/26/349961326.db2.gz FDILLZPMGBFKNY-QMMMGPOBSA-N 1 2 216.235 1.008 20 0 BDADLO C[C@H]([NH2+]Cc1ccncc1N)C(F)F ZINC000641793653 362735258 /nfs/dbraw/zinc/73/52/58/362735258.db2.gz MYAOKABACJIYET-LURJTMIESA-N 1 2 201.220 1.407 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332833838 346453335 /nfs/dbraw/zinc/45/33/35/346453335.db2.gz CDIFARPFQHEYFM-GXFFZTMASA-N 1 2 249.314 1.026 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000577090994 365812478 /nfs/dbraw/zinc/81/24/78/365812478.db2.gz YAHGMWUFQJNLSM-JTQLQIEISA-N 1 2 221.304 1.220 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170863737 346465997 /nfs/dbraw/zinc/46/59/97/346465997.db2.gz KYUQIPLPPQXYFY-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170863737 346465999 /nfs/dbraw/zinc/46/59/99/346465999.db2.gz KYUQIPLPPQXYFY-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170864041 346466284 /nfs/dbraw/zinc/46/62/84/346466284.db2.gz SMAUPXSGXPUSMT-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170864041 346466287 /nfs/dbraw/zinc/46/62/87/346466287.db2.gz SMAUPXSGXPUSMT-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908767 349968101 /nfs/dbraw/zinc/96/81/01/349968101.db2.gz JNSIVAWZJWKBAS-DTORHVGOSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908767 349968102 /nfs/dbraw/zinc/96/81/02/349968102.db2.gz JNSIVAWZJWKBAS-DTORHVGOSA-N 1 2 217.334 1.375 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CCCCCC1 ZINC000186731380 346532741 /nfs/dbraw/zinc/53/27/41/346532741.db2.gz NQCLSMKFKRMRBL-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000186762165 346534268 /nfs/dbraw/zinc/53/42/68/346534268.db2.gz RBROUWYWEVDOFQ-PWSUYJOCSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225178 488322023 /nfs/dbraw/zinc/32/20/23/488322023.db2.gz QBHCRHLXJZHGFV-MXWKQRLJSA-N 1 2 244.354 1.970 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225178 488322024 /nfs/dbraw/zinc/32/20/24/488322024.db2.gz QBHCRHLXJZHGFV-MXWKQRLJSA-N 1 2 244.354 1.970 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)c(C)n1 ZINC000186930827 346548908 /nfs/dbraw/zinc/54/89/08/346548908.db2.gz GNLTWFRKXGTZBS-LLVKDONJSA-N 1 2 233.315 1.019 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)c(C)n1 ZINC000186930827 346548910 /nfs/dbraw/zinc/54/89/10/346548910.db2.gz GNLTWFRKXGTZBS-LLVKDONJSA-N 1 2 233.315 1.019 20 0 BDADLO CCCc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000186997473 346550780 /nfs/dbraw/zinc/55/07/80/346550780.db2.gz SMCRBBQUBYWENB-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO CCCc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000186997473 346550783 /nfs/dbraw/zinc/55/07/83/346550783.db2.gz SMCRBBQUBYWENB-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO CC1(C)CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000187015305 346551977 /nfs/dbraw/zinc/55/19/77/346551977.db2.gz LZFVXGXGGGWKFS-SNVBAGLBSA-N 1 2 231.361 1.008 20 0 BDADLO CC1(C)COC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000580167785 346591108 /nfs/dbraw/zinc/59/11/08/346591108.db2.gz VELJEVIYLAANKD-SNVBAGLBSA-N 1 2 248.330 1.888 20 0 BDADLO CC1(C)COC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000580167785 346591112 /nfs/dbraw/zinc/59/11/12/346591112.db2.gz VELJEVIYLAANKD-SNVBAGLBSA-N 1 2 248.330 1.888 20 0 BDADLO CCN(C)C(=O)C[N@H+](CC)Cc1ccoc1 ZINC000588168954 346645020 /nfs/dbraw/zinc/64/50/20/346645020.db2.gz FVHFIFILPMPIDK-UHFFFAOYSA-N 1 2 224.304 1.580 20 0 BDADLO CCN(C)C(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000588168954 346645021 /nfs/dbraw/zinc/64/50/21/346645021.db2.gz FVHFIFILPMPIDK-UHFFFAOYSA-N 1 2 224.304 1.580 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC1CCC1)C(C)(C)C ZINC000588202745 346646040 /nfs/dbraw/zinc/64/60/40/346646040.db2.gz GPALAXQNHUTPSC-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H](C)[S@@]1=O ZINC000589186533 346672006 /nfs/dbraw/zinc/67/20/06/346672006.db2.gz DIEYNQYSGFZFPG-RDGWCUKFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H](C)[S@@]1=O ZINC000589186533 346672009 /nfs/dbraw/zinc/67/20/09/346672009.db2.gz DIEYNQYSGFZFPG-RDGWCUKFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@H](C)[S@]1=O ZINC000589186531 346672120 /nfs/dbraw/zinc/67/21/20/346672120.db2.gz DIEYNQYSGFZFPG-YRXQGLPXSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@H](C)[S@]1=O ZINC000589186531 346672123 /nfs/dbraw/zinc/67/21/23/346672123.db2.gz DIEYNQYSGFZFPG-YRXQGLPXSA-N 1 2 241.360 1.141 20 0 BDADLO CCOC(=O)CN(CC)Cc1c[nH+]cn1CC ZINC000090235866 346634262 /nfs/dbraw/zinc/63/42/62/346634262.db2.gz YOYPJIBVBURFMU-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CC2CC2)C1 ZINC000623042020 347108347 /nfs/dbraw/zinc/10/83/47/347108347.db2.gz IJLLHQNJNFZKBD-SNVBAGLBSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CC2CC2)C1 ZINC000623042020 347108353 /nfs/dbraw/zinc/10/83/53/347108353.db2.gz IJLLHQNJNFZKBD-SNVBAGLBSA-N 1 2 247.342 1.847 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC(CF)CC1 ZINC000577184304 365865299 /nfs/dbraw/zinc/86/52/99/365865299.db2.gz NJPRZLZKQCGOMH-UHFFFAOYSA-N 1 2 225.267 1.091 20 0 BDADLO COCC1(CC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000577182176 365863865 /nfs/dbraw/zinc/86/38/65/365863865.db2.gz SSKWXWHKYOXVNN-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580328238 347162120 /nfs/dbraw/zinc/16/21/20/347162120.db2.gz OWFWTRNNTYHYDR-ONGXEEELSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580328238 347162123 /nfs/dbraw/zinc/16/21/23/347162123.db2.gz OWFWTRNNTYHYDR-ONGXEEELSA-N 1 2 221.304 1.599 20 0 BDADLO CCc1cc(NC[C@@H](C)C(=O)OC)nc[nH+]1 ZINC000309920117 347199608 /nfs/dbraw/zinc/19/96/08/347199608.db2.gz RNTNBSLNZFMFIK-MRVPVSSYSA-N 1 2 223.276 1.260 20 0 BDADLO CC1(C)CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000108860953 347208776 /nfs/dbraw/zinc/20/87/76/347208776.db2.gz HSTFFKOULQNNQU-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO CC1(C)CCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000108860953 347208779 /nfs/dbraw/zinc/20/87/79/347208779.db2.gz HSTFFKOULQNNQU-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000388224816 347250460 /nfs/dbraw/zinc/25/04/60/347250460.db2.gz PVXZPICCFQFXER-GHMZBOCLSA-N 1 2 235.331 1.751 20 0 BDADLO CCC[C@H](OC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627372768 347252370 /nfs/dbraw/zinc/25/23/70/347252370.db2.gz WMZBZVDTCNALBQ-NSHDSACASA-N 1 2 237.303 1.110 20 0 BDADLO CCC[C@H](OC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627372768 347252372 /nfs/dbraw/zinc/25/23/72/347252372.db2.gz WMZBZVDTCNALBQ-NSHDSACASA-N 1 2 237.303 1.110 20 0 BDADLO c1[nH]cc(NCc2cccc3c2OCO3)[nH+]1 ZINC000390176049 347269957 /nfs/dbraw/zinc/26/99/57/347269957.db2.gz IKJAEGGBSUIYNM-UHFFFAOYSA-N 1 2 217.228 1.751 20 0 BDADLO Cc1cc(N(C)[C@H]2CCC[C@H]2O)nc[nH+]1 ZINC000343289375 133661197 /nfs/dbraw/zinc/66/11/97/133661197.db2.gz PZKSQMSOAOODDZ-VHSXEESVSA-N 1 2 207.277 1.135 20 0 BDADLO Cc1[nH]c(C(=O)NCCC(C)(C)F)c[nH+]1 ZINC000618408112 347406612 /nfs/dbraw/zinc/40/66/12/347406612.db2.gz JKSNOFPUXHPNHK-UHFFFAOYSA-N 1 2 213.256 1.586 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]cn1 ZINC000605660838 347412896 /nfs/dbraw/zinc/41/28/96/347412896.db2.gz DAUHSNQFWNMRFZ-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]12C[C@H]1COC2(C)C ZINC000616921341 347451396 /nfs/dbraw/zinc/45/13/96/347451396.db2.gz NMIAAHTVLPRIEO-ZANVPECISA-N 1 2 249.314 1.183 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]12C[C@H]1COC2(C)C ZINC000616921341 347451398 /nfs/dbraw/zinc/45/13/98/347451398.db2.gz NMIAAHTVLPRIEO-ZANVPECISA-N 1 2 249.314 1.183 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)C3CC3)cn21 ZINC000068571949 179230463 /nfs/dbraw/zinc/23/04/63/179230463.db2.gz IAVGENZSRBMQAQ-UHFFFAOYSA-N 1 2 229.283 1.669 20 0 BDADLO CCC(C)(C)OCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922253 347452627 /nfs/dbraw/zinc/45/26/27/347452627.db2.gz VNFZXVFTLWUIEI-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CCC(C)(C)OCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922253 347452629 /nfs/dbraw/zinc/45/26/29/347452629.db2.gz VNFZXVFTLWUIEI-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1cccs1 ZINC000616922350 347453289 /nfs/dbraw/zinc/45/32/89/347453289.db2.gz ZNQBHMTXAMCQRY-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1cccs1 ZINC000616922350 347453290 /nfs/dbraw/zinc/45/32/90/347453290.db2.gz ZNQBHMTXAMCQRY-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)[nH]1 ZINC000616923500 347453697 /nfs/dbraw/zinc/45/36/97/347453697.db2.gz JUYVLNZFYTXVPX-UHFFFAOYSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)[nH]1 ZINC000616923500 347453699 /nfs/dbraw/zinc/45/36/99/347453699.db2.gz JUYVLNZFYTXVPX-UHFFFAOYSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)ns1 ZINC000616927697 347455931 /nfs/dbraw/zinc/45/59/31/347455931.db2.gz OPHVNUOOCUNTJL-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)ns1 ZINC000616927697 347455934 /nfs/dbraw/zinc/45/59/34/347455934.db2.gz OPHVNUOOCUNTJL-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925668 347457034 /nfs/dbraw/zinc/45/70/34/347457034.db2.gz MPHDUBHZZSXPMK-VIFPVBQESA-N 1 2 209.293 1.660 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925668 347457037 /nfs/dbraw/zinc/45/70/37/347457037.db2.gz MPHDUBHZZSXPMK-VIFPVBQESA-N 1 2 209.293 1.660 20 0 BDADLO Cc1nc(NC[C@@H](C)CC(F)(F)F)nc(N)[nH+]1 ZINC000396937869 362842498 /nfs/dbraw/zinc/84/24/98/362842498.db2.gz HGJSKRPRQODZLL-YFKPBYRVSA-N 1 2 249.240 1.015 20 0 BDADLO Cc1nc(N)nc(NC[C@@H](C)CC(F)(F)F)[nH+]1 ZINC000396937869 362842502 /nfs/dbraw/zinc/84/25/02/362842502.db2.gz HGJSKRPRQODZLL-YFKPBYRVSA-N 1 2 249.240 1.015 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928857 347496057 /nfs/dbraw/zinc/49/60/57/347496057.db2.gz OTBOVNXMHJRKAX-ZJUUUORDSA-N 1 2 249.314 1.373 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928857 347496060 /nfs/dbraw/zinc/49/60/60/347496060.db2.gz OTBOVNXMHJRKAX-ZJUUUORDSA-N 1 2 249.314 1.373 20 0 BDADLO O=C(c1ccon1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590727295 347496682 /nfs/dbraw/zinc/49/66/82/347496682.db2.gz JHXHIFLJWXRRQQ-SNVBAGLBSA-N 1 2 246.270 1.348 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C(F)(F)F ZINC000616925946 347457885 /nfs/dbraw/zinc/45/78/85/347457885.db2.gz WOXRBABCWVFFDL-ZCFIWIBFSA-N 1 2 235.209 1.567 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000616925946 347457886 /nfs/dbraw/zinc/45/78/86/347457886.db2.gz WOXRBABCWVFFDL-ZCFIWIBFSA-N 1 2 235.209 1.567 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc(=O)[nH]1 ZINC000616926418 347457961 /nfs/dbraw/zinc/45/79/61/347457961.db2.gz BHSGUJUTBHOOCF-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc(=O)[nH]1 ZINC000616926418 347457963 /nfs/dbraw/zinc/45/79/63/347457963.db2.gz BHSGUJUTBHOOCF-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1cccnc1 ZINC000616926004 347458862 /nfs/dbraw/zinc/45/88/62/347458862.db2.gz YSRVNOFAHWVSJT-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000616926004 347458863 /nfs/dbraw/zinc/45/88/63/347458863.db2.gz YSRVNOFAHWVSJT-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO CCc1nc(C(=O)N(C)Cc2c[nH+]c[nH]2)co1 ZINC000616927358 347458903 /nfs/dbraw/zinc/45/89/03/347458903.db2.gz GMSDDBPPHJMHGN-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CCc1nc(C(=O)N(C)Cc2c[nH]c[nH+]2)co1 ZINC000616927358 347458904 /nfs/dbraw/zinc/45/89/04/347458904.db2.gz GMSDDBPPHJMHGN-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC[C@H](C)O)C(C)(C)C ZINC000590706181 347498015 /nfs/dbraw/zinc/49/80/15/347498015.db2.gz MXNYBLYWNBDFLU-UWVGGRQHSA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602776 347475904 /nfs/dbraw/zinc/47/59/04/347475904.db2.gz WWGRMBGXOMYBQN-NSHDSACASA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602776 347475906 /nfs/dbraw/zinc/47/59/06/347475906.db2.gz WWGRMBGXOMYBQN-NSHDSACASA-N 1 2 234.299 1.434 20 0 BDADLO CCc1nc(C[N@H+](C)CC2CCC2)no1 ZINC000111296383 347479459 /nfs/dbraw/zinc/47/94/59/347479459.db2.gz DMAUAJMSXGJLDM-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@@H+](C)CC2CCC2)no1 ZINC000111296383 347479462 /nfs/dbraw/zinc/47/94/62/347479462.db2.gz DMAUAJMSXGJLDM-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO COC(=O)c1cc(C[NH+]2CC(C(F)F)C2)c[nH]1 ZINC000590968800 347596719 /nfs/dbraw/zinc/59/67/19/347596719.db2.gz QHGRTXUNNYHEPG-UHFFFAOYSA-N 1 2 244.241 1.498 20 0 BDADLO CO[C@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000591181948 347625500 /nfs/dbraw/zinc/62/55/00/347625500.db2.gz XRBNUUZFMZWWOF-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CN(C[C@H]1CCCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493224866 347646095 /nfs/dbraw/zinc/64/60/95/347646095.db2.gz OFOYSZUDMAKEAG-MVIFTORASA-N 1 2 249.314 1.450 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)C(C)C ZINC000592368464 347770446 /nfs/dbraw/zinc/77/04/46/347770446.db2.gz OYTRMSXJMNLDTK-TUAOUCFPSA-N 1 2 243.347 1.730 20 0 BDADLO CC[C@@H]([NH2+]C1CSC1)C(=O)OC(C)(C)C ZINC000592524005 347795031 /nfs/dbraw/zinc/79/50/31/347795031.db2.gz SMPPQZZJQHRKOO-SECBINFHSA-N 1 2 231.361 1.812 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCOC1 ZINC000592525446 347795705 /nfs/dbraw/zinc/79/57/05/347795705.db2.gz LVMGXRTZDYIRSN-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H](COC)[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC000592527903 347795714 /nfs/dbraw/zinc/79/57/14/347795714.db2.gz XEALIUXIHQSURD-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@@H](COC)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC000592527902 347795776 /nfs/dbraw/zinc/79/57/76/347795776.db2.gz XEALIUXIHQSURD-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CCN(CCSC)C(=O)CCn1cc[nH+]c1 ZINC000592743602 347809283 /nfs/dbraw/zinc/80/92/83/347809283.db2.gz SSHLBTYHHWENCK-UHFFFAOYSA-N 1 2 241.360 1.485 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000592517545 347793299 /nfs/dbraw/zinc/79/32/99/347793299.db2.gz RERVCNWKDJUTPB-HBNTYKKESA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCOCC1CCC1 ZINC000419192517 192109337 /nfs/dbraw/zinc/10/93/37/192109337.db2.gz PAOLWGGRBRQOHP-UHFFFAOYSA-N 1 2 229.320 1.344 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCCc2sccc2C1 ZINC000592984201 347836311 /nfs/dbraw/zinc/83/63/11/347836311.db2.gz VFIKTYIKSIYMSU-UHFFFAOYSA-N 1 2 249.343 1.220 20 0 BDADLO Cn1nnnc1C[N@H+]1CCCc2sccc2C1 ZINC000592984201 347836314 /nfs/dbraw/zinc/83/63/14/347836314.db2.gz VFIKTYIKSIYMSU-UHFFFAOYSA-N 1 2 249.343 1.220 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc2cnccc2o1 ZINC000593568666 347912683 /nfs/dbraw/zinc/91/26/83/347912683.db2.gz XNVBAUGXPIFCQE-UHFFFAOYSA-N 1 2 234.255 1.433 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc2cnccc2o1 ZINC000593568666 347912684 /nfs/dbraw/zinc/91/26/84/347912684.db2.gz XNVBAUGXPIFCQE-UHFFFAOYSA-N 1 2 234.255 1.433 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000036946674 347985186 /nfs/dbraw/zinc/98/51/86/347985186.db2.gz ZUNFALQTHUSUMD-UHFFFAOYSA-N 1 2 204.204 1.974 20 0 BDADLO c1nc(C[NH2+]Cc2cnc3ccccn23)co1 ZINC000594061622 347996336 /nfs/dbraw/zinc/99/63/36/347996336.db2.gz UFFBRTAXOMSREN-UHFFFAOYSA-N 1 2 228.255 1.612 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@@H](C(=O)OC)C2CC2)C1 ZINC000594722453 348107469 /nfs/dbraw/zinc/10/74/69/348107469.db2.gz QKRAMJYFKXGVNX-GMTAPVOTSA-N 1 2 227.304 1.095 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)C1CC1 ZINC000594732720 348108871 /nfs/dbraw/zinc/10/88/71/348108871.db2.gz XFQCHYKXQADFQX-YUSALJHKSA-N 1 2 241.331 1.485 20 0 BDADLO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000594961446 348151510 /nfs/dbraw/zinc/15/15/10/348151510.db2.gz NMUCWMQYEZGLTK-QEKSWQHZSA-N 1 2 241.360 1.189 20 0 BDADLO O=S1(=O)CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000068941809 490136421 /nfs/dbraw/zinc/13/64/21/490136421.db2.gz WGSZLUROXOBQQU-SECBINFHSA-N 1 2 226.301 1.071 20 0 BDADLO C[C@H](CSCCF)[NH2+]Cc1ccn[nH]1 ZINC000595021538 348172053 /nfs/dbraw/zinc/17/20/53/348172053.db2.gz ZLXIUEZLANFMDP-MRVPVSSYSA-N 1 2 217.313 1.591 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)CSCCF ZINC000595028050 348173445 /nfs/dbraw/zinc/17/34/45/348173445.db2.gz SKGWMNBVXDNCHD-MRVPVSSYSA-N 1 2 231.340 1.899 20 0 BDADLO Cc1ccc[nH+]c1CCNc1ncccn1 ZINC000295691739 179370421 /nfs/dbraw/zinc/37/04/21/179370421.db2.gz IGRWEZYZVMBEPV-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO Cc1cccnc1C[N@@H+](C)CC(=O)NC(C)C ZINC000093158531 179370571 /nfs/dbraw/zinc/37/05/71/179370571.db2.gz FCUXHSYUSBMUEQ-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1cccnc1C[N@H+](C)CC(=O)NC(C)C ZINC000093158531 179370573 /nfs/dbraw/zinc/37/05/73/179370573.db2.gz FCUXHSYUSBMUEQ-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H](OC)C1CCC1)C(=O)OC ZINC000595408048 348241051 /nfs/dbraw/zinc/24/10/51/348241051.db2.gz QBQFJRIIFCVOFV-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](C[NH2+]C(CC)(CC)C(=O)OC)OC ZINC000419253356 192115880 /nfs/dbraw/zinc/11/58/80/192115880.db2.gz WRKOBYPSCIKRQD-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000367359546 179375118 /nfs/dbraw/zinc/37/51/18/179375118.db2.gz ZDIGUHKTDOTTOJ-NSHDSACASA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cccnc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000367359546 179375120 /nfs/dbraw/zinc/37/51/20/179375120.db2.gz ZDIGUHKTDOTTOJ-NSHDSACASA-N 1 2 247.298 1.026 20 0 BDADLO COC(=O)C[N@@H+](C[C@H](OC)C1CCC1)C1CC1 ZINC000595342670 348233341 /nfs/dbraw/zinc/23/33/41/348233341.db2.gz GBKDFAUXOBAASB-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)C[N@H+](C[C@H](OC)C1CCC1)C1CC1 ZINC000595342670 348233344 /nfs/dbraw/zinc/23/33/44/348233344.db2.gz GBKDFAUXOBAASB-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616795 348289691 /nfs/dbraw/zinc/28/96/91/348289691.db2.gz CRTGHBYFQUUYTF-JOYOIKCWSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616795 348289694 /nfs/dbraw/zinc/28/96/94/348289694.db2.gz CRTGHBYFQUUYTF-JOYOIKCWSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)(C)OC(=O)[C@@]1([NH2+]CCCF)CCOC1 ZINC000595740564 348318936 /nfs/dbraw/zinc/31/89/36/348318936.db2.gz CPJXRFMPMGZBBJ-GFCCVEGCSA-N 1 2 247.310 1.436 20 0 BDADLO CC(C)SCC[N@H+](C)Cc1cn(C)nn1 ZINC000595760458 348332602 /nfs/dbraw/zinc/33/26/02/348332602.db2.gz SYLRNZIOMPMJHL-UHFFFAOYSA-N 1 2 228.365 1.389 20 0 BDADLO CC(C)SCC[N@@H+](C)Cc1cn(C)nn1 ZINC000595760458 348332604 /nfs/dbraw/zinc/33/26/04/348332604.db2.gz SYLRNZIOMPMJHL-UHFFFAOYSA-N 1 2 228.365 1.389 20 0 BDADLO COCCCCN(C)c1cc(CO)cc[nH+]1 ZINC000397401582 362884525 /nfs/dbraw/zinc/88/45/25/362884525.db2.gz UKAARTMTLZBMBM-UHFFFAOYSA-N 1 2 224.304 1.437 20 0 BDADLO CC[C@@H](C[NH2+][C@](C)(CCF)C(=O)OC)OC ZINC000595771759 348336346 /nfs/dbraw/zinc/33/63/46/348336346.db2.gz FISMFQUVOPMNDW-GXSJLCMTSA-N 1 2 235.299 1.292 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1CCCCO1 ZINC000595775143 348338164 /nfs/dbraw/zinc/33/81/64/348338164.db2.gz QDRPFLKHDOTHPV-CMPLNLGQSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCCF ZINC000595777323 348338681 /nfs/dbraw/zinc/33/86/81/348338681.db2.gz YVOKVWCWUTVRSH-SNVBAGLBSA-N 1 2 223.263 1.617 20 0 BDADLO CCOCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000082681539 348340174 /nfs/dbraw/zinc/34/01/74/348340174.db2.gz VPPCBTFBPZMSBL-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCOC(=O)C[N@H+](C)CC1=CCSC1 ZINC000595888002 348389254 /nfs/dbraw/zinc/38/92/54/348389254.db2.gz KOICEHAJXIXGRI-UHFFFAOYSA-N 1 2 215.318 1.155 20 0 BDADLO CCOC(=O)C[N@@H+](C)CC1=CCSC1 ZINC000595888002 348389255 /nfs/dbraw/zinc/38/92/55/348389255.db2.gz KOICEHAJXIXGRI-UHFFFAOYSA-N 1 2 215.318 1.155 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCOC[C@@H]2C)c(C)c[nH+]1 ZINC000577461616 365957230 /nfs/dbraw/zinc/95/72/30/365957230.db2.gz MQQUKHNXERANQY-JQWIXIFHSA-N 1 2 248.326 1.731 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCC(C)(F)F)c1 ZINC000596243046 348485242 /nfs/dbraw/zinc/48/52/42/348485242.db2.gz FHYJQMSKTUFNHH-UHFFFAOYSA-N 1 2 244.241 1.864 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000375614265 179485192 /nfs/dbraw/zinc/48/51/92/179485192.db2.gz USHBRKUXWPBQQG-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccncc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000375614265 179485194 /nfs/dbraw/zinc/48/51/94/179485194.db2.gz USHBRKUXWPBQQG-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC[C@@H](C)OC)c1 ZINC000596205131 348465866 /nfs/dbraw/zinc/46/58/66/348465866.db2.gz ZJVSWYKBHXQQCL-SECBINFHSA-N 1 2 238.287 1.244 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)C)CO1 ZINC000597142440 348661988 /nfs/dbraw/zinc/66/19/88/348661988.db2.gz QQDSZUZLADJSFV-AXFHLTTASA-N 1 2 229.320 1.484 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212733642 348713023 /nfs/dbraw/zinc/71/30/23/348713023.db2.gz YEVOMNCILKPRDP-KOLCDFICSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212733642 348713024 /nfs/dbraw/zinc/71/30/24/348713024.db2.gz YEVOMNCILKPRDP-KOLCDFICSA-N 1 2 233.315 1.772 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC1=CCCOC1 ZINC000597213888 348682265 /nfs/dbraw/zinc/68/22/65/348682265.db2.gz QJLZZZNLKGIHEP-LBPRGKRZSA-N 1 2 245.294 1.214 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598459181 348976858 /nfs/dbraw/zinc/97/68/58/348976858.db2.gz DSCRURAQOLFEHJ-SFYZADRCSA-N 1 2 227.333 1.349 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccnc(C)c1 ZINC000598597111 348999734 /nfs/dbraw/zinc/99/97/34/348999734.db2.gz VQYLYJZSXPIFLL-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccnc(C)c1 ZINC000598597111 348999737 /nfs/dbraw/zinc/99/97/37/348999737.db2.gz VQYLYJZSXPIFLL-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(O)c1 ZINC000349961498 538021876 /nfs/dbraw/zinc/02/18/76/538021876.db2.gz LNWRIEDSVFQKQR-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(O)c1 ZINC000349961498 538021881 /nfs/dbraw/zinc/02/18/81/538021881.db2.gz LNWRIEDSVFQKQR-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccnc(C)c1 ZINC000598607067 349007287 /nfs/dbraw/zinc/00/72/87/349007287.db2.gz MIHYGYOGQXINHX-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccnc(C)c1 ZINC000598607067 349007290 /nfs/dbraw/zinc/00/72/90/349007290.db2.gz MIHYGYOGQXINHX-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C1CC1)CC2 ZINC000623511044 362936501 /nfs/dbraw/zinc/93/65/01/362936501.db2.gz WRQKWGAVIQOOQK-PWSUYJOCSA-N 1 2 247.342 1.669 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000308913892 349066309 /nfs/dbraw/zinc/06/63/09/349066309.db2.gz FJQJFAZNIVAZKH-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cncnc1)CO2 ZINC000341565738 538029665 /nfs/dbraw/zinc/02/96/65/538029665.db2.gz XKJZDROSBLQKBD-LBPRGKRZSA-N 1 2 245.257 1.839 20 0 BDADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cncnc1)CO2 ZINC000341565737 538029813 /nfs/dbraw/zinc/02/98/13/538029813.db2.gz XKJZDROSBLQKBD-GFCCVEGCSA-N 1 2 245.257 1.839 20 0 BDADLO Cc1cc(N[C@@H](C)CN2CCCC2=O)nc[nH+]1 ZINC000599533793 349211066 /nfs/dbraw/zinc/21/10/66/349211066.db2.gz DDMVPIZMQXLOSR-JTQLQIEISA-N 1 2 234.303 1.208 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599621777 349229645 /nfs/dbraw/zinc/22/96/45/349229645.db2.gz FJWHVDRTGVBOBQ-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599621777 349229648 /nfs/dbraw/zinc/22/96/48/349229648.db2.gz FJWHVDRTGVBOBQ-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000599624899 349230498 /nfs/dbraw/zinc/23/04/98/349230498.db2.gz KFAFZAKQRDGBRX-UXCLJVHYSA-N 1 2 243.347 1.730 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C1CC1 ZINC000599623593 349230522 /nfs/dbraw/zinc/23/05/22/349230522.db2.gz AQQMCIQWWKNJKM-SRHMGVCXSA-N 1 2 241.331 1.340 20 0 BDADLO CC[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599648405 349233827 /nfs/dbraw/zinc/23/38/27/349233827.db2.gz GZMAFMFZLFKDMG-VIFPVBQESA-N 1 2 231.336 1.467 20 0 BDADLO c1cc(NCC[C@H]2CCCO2)nc(C2CC2)[nH+]1 ZINC000599453411 349199136 /nfs/dbraw/zinc/19/91/36/349199136.db2.gz KAFACEFLZNVQAV-LLVKDONJSA-N 1 2 233.315 1.757 20 0 BDADLO CCC(CC)CNC(=O)Cn1cc[nH+]c1 ZINC000308991922 349267153 /nfs/dbraw/zinc/26/71/53/349267153.db2.gz ILDRRQJOCQVUQC-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO COC(=O)c1coc(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000085825669 349278023 /nfs/dbraw/zinc/27/80/23/349278023.db2.gz FDMBYRPYYFHDRD-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)c1coc(C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000085825669 349278028 /nfs/dbraw/zinc/27/80/28/349278028.db2.gz FDMBYRPYYFHDRD-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO CSC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601574994 349302337 /nfs/dbraw/zinc/30/23/37/349302337.db2.gz SWEXNSDQOONBNC-QMMMGPOBSA-N 1 2 242.348 1.303 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)C1CC1 ZINC000601940381 349392662 /nfs/dbraw/zinc/39/26/62/349392662.db2.gz MDGSHLQESZCIBZ-MNOVXSKESA-N 1 2 241.331 1.343 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000603791203 350027279 /nfs/dbraw/zinc/02/72/79/350027279.db2.gz ODWNUTUFAFSKEI-WCBMZHEXSA-N 1 2 204.273 1.660 20 0 BDADLO CC[C@@H]([NH2+]Cc1nncn1C)c1ccc(F)cn1 ZINC000161323107 349422102 /nfs/dbraw/zinc/42/21/02/349422102.db2.gz VMQBEKIWNLBGGR-SNVBAGLBSA-N 1 2 249.293 1.590 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC1CCCC1 ZINC000390777672 350080564 /nfs/dbraw/zinc/08/05/64/350080564.db2.gz GTKUHGYYUQDVKV-UHFFFAOYSA-N 1 2 219.288 1.552 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618509839 350041781 /nfs/dbraw/zinc/04/17/81/350041781.db2.gz XYQBBVUDEIFWPJ-GMXVVIOVSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618509839 350041786 /nfs/dbraw/zinc/04/17/86/350041786.db2.gz XYQBBVUDEIFWPJ-GMXVVIOVSA-N 1 2 247.342 1.895 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCCCNC2=O)cs1 ZINC000036977403 179974559 /nfs/dbraw/zinc/97/45/59/179974559.db2.gz LFHTVMWVQJHRRF-JTQLQIEISA-N 1 2 239.344 1.210 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cc(C(C)C)no2)c[nH+]1 ZINC000603967638 350061213 /nfs/dbraw/zinc/06/12/13/350061213.db2.gz XMWHSUWBAPSYHC-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)CCC2CC2)CCO1 ZINC000604322117 350102079 /nfs/dbraw/zinc/10/20/79/350102079.db2.gz QGCKYKQJQYAKQJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)CCC2CC2)CCO1 ZINC000604322117 350102082 /nfs/dbraw/zinc/10/20/82/350102082.db2.gz QGCKYKQJQYAKQJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H]([C@H](C)O)C2)[nH+]1 ZINC000355560476 180003842 /nfs/dbraw/zinc/00/38/42/180003842.db2.gz CAKANDFWSDAOOB-WPRPVWTQSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C)sc1C ZINC000299526196 180011760 /nfs/dbraw/zinc/01/17/60/180011760.db2.gz RIUUVQRZVJSAFD-SECBINFHSA-N 1 2 239.344 1.793 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C)sc1C ZINC000299526196 180011761 /nfs/dbraw/zinc/01/17/61/180011761.db2.gz RIUUVQRZVJSAFD-SECBINFHSA-N 1 2 239.344 1.793 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)O)[nH+]1 ZINC000027987991 180019441 /nfs/dbraw/zinc/01/94/41/180019441.db2.gz XPBASCGHHLCBRA-ZCFIWIBFSA-N 1 2 206.249 1.059 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000368593530 180036045 /nfs/dbraw/zinc/03/60/45/180036045.db2.gz OZRWZFPLZRDSAF-PELKAZGASA-N 1 2 237.303 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000368593530 180036046 /nfs/dbraw/zinc/03/60/46/180036046.db2.gz OZRWZFPLZRDSAF-PELKAZGASA-N 1 2 237.303 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)no1 ZINC000352351405 180036397 /nfs/dbraw/zinc/03/63/97/180036397.db2.gz XSPPRMKCCBDVRN-VXNVDRBHSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)no1 ZINC000352351405 180036400 /nfs/dbraw/zinc/03/64/00/180036400.db2.gz XSPPRMKCCBDVRN-VXNVDRBHSA-N 1 2 225.292 1.142 20 0 BDADLO COC(C)(C)CN(C)c1cc[nH+]c(C)n1 ZINC000532327399 323251122 /nfs/dbraw/zinc/25/11/22/323251122.db2.gz UTBHVVSGNUBAKW-UHFFFAOYSA-N 1 2 209.293 1.646 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)cs1 ZINC000036915647 180037403 /nfs/dbraw/zinc/03/74/03/180037403.db2.gz UKLHOBRSMSRJLR-HTQZYQBOSA-N 1 2 241.360 1.579 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCOC2)c2c([nH+]1)CCCC2 ZINC000272920598 180067162 /nfs/dbraw/zinc/06/71/62/180067162.db2.gz SUQGNHMOIYRELZ-LLVKDONJSA-N 1 2 247.342 1.889 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)[C@@H]2CCOC2)[nH+]1 ZINC000359299925 180059519 /nfs/dbraw/zinc/05/95/19/180059519.db2.gz RHSMEUADUNCOCY-WCBMZHEXSA-N 1 2 246.314 1.525 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)C[C@H](C)O)[nH+]1 ZINC000340792815 180059814 /nfs/dbraw/zinc/05/98/14/180059814.db2.gz ZBUFDYDBWJTEGT-SFYZADRCSA-N 1 2 234.303 1.260 20 0 BDADLO Cc1nnc(C[N@@H+]2CC(C)(C)OCC2(C)C)o1 ZINC000604386383 350122004 /nfs/dbraw/zinc/12/20/04/350122004.db2.gz JHGBDDQPFYHJSO-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nnc(C[N@H+]2CC(C)(C)OCC2(C)C)o1 ZINC000604386383 350122006 /nfs/dbraw/zinc/12/20/06/350122006.db2.gz JHGBDDQPFYHJSO-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nc(N2CC[C@@H](CO)C2)c2c([nH+]1)CCCC2 ZINC000272903873 180068761 /nfs/dbraw/zinc/06/87/61/180068761.db2.gz QEYZDYYLABCYJN-LLVKDONJSA-N 1 2 247.342 1.482 20 0 BDADLO Cc1nc(NCCCO)c2c([nH+]1)CCCC2 ZINC000272888793 180069884 /nfs/dbraw/zinc/06/98/84/180069884.db2.gz NITRPFAXBZWXJE-UHFFFAOYSA-N 1 2 221.304 1.458 20 0 BDADLO Cc1[nH+]c2ccccn2c1CN=c1cco[nH]1 ZINC000361631100 180106824 /nfs/dbraw/zinc/10/68/24/180106824.db2.gz IGBDXDSQUUUVCK-UHFFFAOYSA-N 1 2 228.255 1.665 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000376612646 180109337 /nfs/dbraw/zinc/10/93/37/180109337.db2.gz WMFFWEFBKINRDY-STQMWFEESA-N 1 2 249.358 1.619 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000376612646 180109339 /nfs/dbraw/zinc/10/93/39/180109339.db2.gz WMFFWEFBKINRDY-STQMWFEESA-N 1 2 249.358 1.619 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@H]1CCCC[C@@H]1O)C2 ZINC000376612646 180109342 /nfs/dbraw/zinc/10/93/42/180109342.db2.gz WMFFWEFBKINRDY-STQMWFEESA-N 1 2 249.358 1.619 20 0 BDADLO Cc1nc2n(n1)C[C@@H](Nc1cccc[nH+]1)CC2 ZINC000263861046 180112647 /nfs/dbraw/zinc/11/26/47/180112647.db2.gz AMUCORORPKEARI-JTQLQIEISA-N 1 2 229.287 1.408 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(CCO)CCC2)c[nH+]1 ZINC000332023269 180131094 /nfs/dbraw/zinc/13/10/94/180131094.db2.gz TYSPBYFULHQGRV-UHFFFAOYSA-N 1 2 237.303 1.001 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c[nH+]1 ZINC000333088779 180133964 /nfs/dbraw/zinc/13/39/64/180133964.db2.gz SDSGLCSLWFVQEW-KKZNHRDASA-N 1 2 235.287 1.015 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000336440360 180118382 /nfs/dbraw/zinc/11/83/82/180118382.db2.gz GRDKPCSHZUVXBO-PSASIEDQSA-N 1 2 221.304 1.771 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(Cl)c[nH]1 ZINC000336346715 180118668 /nfs/dbraw/zinc/11/86/68/180118668.db2.gz RYVHLNITSKKMBU-UHFFFAOYSA-N 1 2 238.678 1.630 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)COc1ccccc1 ZINC000353109788 180120594 /nfs/dbraw/zinc/12/05/94/180120594.db2.gz UQYDLCRIAHGCKK-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2CF)cn1 ZINC000334371376 180144430 /nfs/dbraw/zinc/14/44/30/180144430.db2.gz PSYSELXPWGPGMZ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@H]2CF)cn1 ZINC000334371376 180144432 /nfs/dbraw/zinc/14/44/32/180144432.db2.gz PSYSELXPWGPGMZ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO CC(=O)Nc1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000101544309 191064639 /nfs/dbraw/zinc/06/46/39/191064639.db2.gz ZFYQCVFVZROUJU-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO CC(=O)Nc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000101544309 191064643 /nfs/dbraw/zinc/06/46/43/191064643.db2.gz ZFYQCVFVZROUJU-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO Cc1nc(N2CCSC[C@H](C)C2)cc[nH+]1 ZINC000192264499 180194075 /nfs/dbraw/zinc/19/40/75/180194075.db2.gz RXBPTEOALJPFPX-SECBINFHSA-N 1 2 223.345 1.974 20 0 BDADLO Cc1nc(N2CC[S@](=O)CC[C@H]2C)cc[nH+]1 ZINC000369351151 180194330 /nfs/dbraw/zinc/19/43/30/180194330.db2.gz ZYKQCPIKGQUXOK-JDNHERCYSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1nc(NCCCC(=O)OC(C)C)cc[nH+]1 ZINC000185422591 180199077 /nfs/dbraw/zinc/19/90/77/180199077.db2.gz AMJVJIXQFYLFIH-UHFFFAOYSA-N 1 2 237.303 1.929 20 0 BDADLO Cc1noc(CCCNc2cc[nH+]c(C)n2)n1 ZINC000266361259 180199380 /nfs/dbraw/zinc/19/93/80/180199380.db2.gz KTCTUCVGFYCZQD-UHFFFAOYSA-N 1 2 233.275 1.521 20 0 BDADLO Cc1noc(CCNc2cc[nH+]c(C)n2)n1 ZINC000230902424 180200382 /nfs/dbraw/zinc/20/03/82/180200382.db2.gz LWGAONPBGPQETM-UHFFFAOYSA-N 1 2 219.248 1.131 20 0 BDADLO Cc1nc(NCc2cccc(N(C)C)n2)cc[nH+]1 ZINC000166890642 180200836 /nfs/dbraw/zinc/20/08/36/180200836.db2.gz WPPCQVRKGRBMNJ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1ccc(CNc2cc[nH+]c(C)n2)c(=O)n1C ZINC000278841773 180201692 /nfs/dbraw/zinc/20/16/92/180201692.db2.gz WDVJESKZZSYSFA-UHFFFAOYSA-N 1 2 244.298 1.404 20 0 BDADLO Cc1nc(N[C@@H](C)CC[S@@](C)=O)cc[nH+]1 ZINC000130268179 180203673 /nfs/dbraw/zinc/20/36/73/180203673.db2.gz PIXCZIAOONOXSK-AYVTZFPOSA-N 1 2 227.333 1.354 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H](O)C2(C)C)cc[nH+]1 ZINC000168301451 180204790 /nfs/dbraw/zinc/20/47/90/180204790.db2.gz JMBXWBNXHRJXQM-BDAKNGLRSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1nc(N[C@H](CO)Cc2ccccc2)cc[nH+]1 ZINC000063218872 180205588 /nfs/dbraw/zinc/20/55/88/180205588.db2.gz STBKEVTUAIRJCN-ZDUSSCGKSA-N 1 2 243.310 1.801 20 0 BDADLO Cc1nc(N[C@H](C)c2ccncc2F)cc[nH+]1 ZINC000337782157 180181970 /nfs/dbraw/zinc/18/19/70/180181970.db2.gz BUYPHRPAEKLXFC-MRVPVSSYSA-N 1 2 232.262 1.914 20 0 BDADLO Cc1nc(NC[C@@]2(C)CCO[C@@H]2C2CC2)cc[nH+]1 ZINC000368780539 180182197 /nfs/dbraw/zinc/18/21/97/180182197.db2.gz WFLCHPXSOAETJG-ZIAGYGMSSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H](C(C)C)C2)n1 ZINC000352814318 180183131 /nfs/dbraw/zinc/18/31/31/180183131.db2.gz HHTUJCVVBJMJAP-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H](C(C)C)C2)n1 ZINC000352814318 180183133 /nfs/dbraw/zinc/18/31/33/180183133.db2.gz HHTUJCVVBJMJAP-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000373639109 180184004 /nfs/dbraw/zinc/18/40/04/180184004.db2.gz OBGPZMMQVKIXAG-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000373639109 180184005 /nfs/dbraw/zinc/18/40/05/180184005.db2.gz OBGPZMMQVKIXAG-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO CCCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000309258614 350243263 /nfs/dbraw/zinc/24/32/63/350243263.db2.gz HFWSEBTWCABLIJ-UHFFFAOYSA-N 1 2 222.292 1.174 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](O)C1)OCc1ccccc1 ZINC000223919409 350297754 /nfs/dbraw/zinc/29/77/54/350297754.db2.gz SRPKNJYJZSYFSD-ZDUSSCGKSA-N 1 2 249.310 1.187 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](O)C1)OCc1ccccc1 ZINC000223919409 350297756 /nfs/dbraw/zinc/29/77/56/350297756.db2.gz SRPKNJYJZSYFSD-ZDUSSCGKSA-N 1 2 249.310 1.187 20 0 BDADLO Cc1[nH+]cn(Cc2nnc(C(C)C)[nH]2)c1C ZINC000292421587 180289459 /nfs/dbraw/zinc/28/94/59/180289459.db2.gz LCMZFKYHPCRPEK-UHFFFAOYSA-N 1 2 219.292 1.790 20 0 BDADLO Cc1nccnc1NCCNc1cccc[nH+]1 ZINC000290457033 180278535 /nfs/dbraw/zinc/27/85/35/180278535.db2.gz DWTFHSCWKIJIRO-UHFFFAOYSA-N 1 2 229.287 1.704 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@]12C[C@H]1CCC2 ZINC000617207016 350355893 /nfs/dbraw/zinc/35/58/93/350355893.db2.gz OIOBKNDHIWUFMW-ZYHUDNBSSA-N 1 2 219.288 1.332 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000070837059 180316260 /nfs/dbraw/zinc/31/62/60/180316260.db2.gz BSHCCEOVNXRZOH-MRVPVSSYSA-N 1 2 224.329 1.862 20 0 BDADLO Cc1ncsc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000070837059 180316261 /nfs/dbraw/zinc/31/62/61/180316261.db2.gz BSHCCEOVNXRZOH-MRVPVSSYSA-N 1 2 224.329 1.862 20 0 BDADLO CCN(CCO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581940 350372952 /nfs/dbraw/zinc/37/29/52/350372952.db2.gz XBIGSBIXPIJCFV-UHFFFAOYSA-N 1 2 248.286 1.180 20 0 BDADLO CC(C)(O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582301 350373044 /nfs/dbraw/zinc/37/30/44/350373044.db2.gz JTVCJEDKIXOLIU-UHFFFAOYSA-N 1 2 248.286 1.227 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581405 350373132 /nfs/dbraw/zinc/37/31/32/350373132.db2.gz BXEOPGNGTAZAKH-PSASIEDQSA-N 1 2 230.271 1.864 20 0 BDADLO CC[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000637277773 350387849 /nfs/dbraw/zinc/38/78/49/350387849.db2.gz CICWUQPOMABWRB-JQWIXIFHSA-N 1 2 248.330 1.296 20 0 BDADLO CCc1cc(N[C@@H](CO)CC(C)C)nc[nH+]1 ZINC000040778897 350398750 /nfs/dbraw/zinc/39/87/50/350398750.db2.gz BEEXSXNAZOUDCX-LLVKDONJSA-N 1 2 223.320 1.858 20 0 BDADLO CCc1cc(NCc2cc[nH]n2)nc[nH+]1 ZINC000041015930 350404265 /nfs/dbraw/zinc/40/42/65/350404265.db2.gz FZNRGHPRNDPCEJ-UHFFFAOYSA-N 1 2 203.249 1.374 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccco1 ZINC000336669765 350434205 /nfs/dbraw/zinc/43/42/05/350434205.db2.gz VODPEBTZCNBERG-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccco1 ZINC000336669765 350434207 /nfs/dbraw/zinc/43/42/07/350434207.db2.gz VODPEBTZCNBERG-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH+]1CCSCC1 ZINC000037460283 180349975 /nfs/dbraw/zinc/34/99/75/180349975.db2.gz WVCWSQVOWIMMEH-UHFFFAOYSA-N 1 2 245.779 1.931 20 0 BDADLO CC(C)C[N@H+](C)Cc1nsc(N(C)C)n1 ZINC000336647020 350415750 /nfs/dbraw/zinc/41/57/50/350415750.db2.gz LRGWVAIGUDMRLR-UHFFFAOYSA-N 1 2 228.365 1.692 20 0 BDADLO CC(C)C[N@@H+](C)Cc1nsc(N(C)C)n1 ZINC000336647020 350415753 /nfs/dbraw/zinc/41/57/53/350415753.db2.gz LRGWVAIGUDMRLR-UHFFFAOYSA-N 1 2 228.365 1.692 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cnccn1 ZINC000177247724 180337489 /nfs/dbraw/zinc/33/74/89/180337489.db2.gz PJUJYWTXCLEOBU-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000177247724 180337491 /nfs/dbraw/zinc/33/74/91/180337491.db2.gz PJUJYWTXCLEOBU-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ccc(CO)o1 ZINC000397928887 362956531 /nfs/dbraw/zinc/95/65/31/362956531.db2.gz TWZRTRKRACGVDJ-UHFFFAOYSA-N 1 2 222.244 1.358 20 0 BDADLO CC(C)(C)OC(=O)CC[NH2+]Cc1csnn1 ZINC000133279897 191104936 /nfs/dbraw/zinc/10/49/36/191104936.db2.gz UWHZZSYWYAGSEG-UHFFFAOYSA-N 1 2 243.332 1.360 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000150878696 350460444 /nfs/dbraw/zinc/46/04/44/350460444.db2.gz RSEIZVBCONCWJO-SNVBAGLBSA-N 1 2 248.330 1.633 20 0 BDADLO O=C(CC(F)(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427990259 191104663 /nfs/dbraw/zinc/10/46/63/191104663.db2.gz HRADGHJTWQKXSY-SSDOTTSWSA-N 1 2 247.220 1.267 20 0 BDADLO Cc1nn(C)cc1CNc1cc[nH+]cc1F ZINC000276827069 180374757 /nfs/dbraw/zinc/37/47/57/180374757.db2.gz GYFFZPOCAFXWOG-UHFFFAOYSA-N 1 2 220.251 1.875 20 0 BDADLO CC[N@H+](Cc1cc(C)on1)[C@H]1CCOC1 ZINC000336717234 350469125 /nfs/dbraw/zinc/46/91/25/350469125.db2.gz XWXSNSZXKOLDBO-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@@H+](Cc1cc(C)on1)[C@H]1CCOC1 ZINC000336717234 350469127 /nfs/dbraw/zinc/46/91/27/350469127.db2.gz XWXSNSZXKOLDBO-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000345356719 180376400 /nfs/dbraw/zinc/37/64/00/180376400.db2.gz OPYYZQXSVZLSCF-JOYOIKCWSA-N 1 2 245.330 1.721 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427999524 191105269 /nfs/dbraw/zinc/10/52/69/191105269.db2.gz ZPJDGJJOSWNGKC-UWVGGRQHSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428001020 191105768 /nfs/dbraw/zinc/10/57/68/191105768.db2.gz NOUMCJBIZRWGSA-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428006759 191106063 /nfs/dbraw/zinc/10/60/63/191106063.db2.gz PUOCCKBWEZOIIS-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO CC[C@H](C)N(CC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000637403284 350537284 /nfs/dbraw/zinc/53/72/84/350537284.db2.gz ITIOYVZRDWQBQG-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H](C)N(CC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000637403284 350537286 /nfs/dbraw/zinc/53/72/86/350537286.db2.gz ITIOYVZRDWQBQG-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000335329514 538095823 /nfs/dbraw/zinc/09/58/23/538095823.db2.gz UGTGZFQBDBYSPI-URLYPYJESA-N 1 2 219.288 1.082 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)C[C@H](C)O ZINC000577527871 365980145 /nfs/dbraw/zinc/98/01/45/365980145.db2.gz CUBJRBLJLWYKLV-BDAKNGLRSA-N 1 2 209.293 1.087 20 0 BDADLO CCOC1(C)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628307644 350607716 /nfs/dbraw/zinc/60/77/16/350607716.db2.gz VLGCQNVJLUOMEI-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc2c(cn1)CCC2 ZINC000577531595 365982655 /nfs/dbraw/zinc/98/26/55/365982655.db2.gz DRZBJGLZFSXTSD-UHFFFAOYSA-N 1 2 242.282 1.406 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000606903115 350626964 /nfs/dbraw/zinc/62/69/64/350626964.db2.gz IOXFSLVHJZWAEO-MRVPVSSYSA-N 1 2 249.236 1.183 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000606905068 350627642 /nfs/dbraw/zinc/62/76/42/350627642.db2.gz RGIIVWVXHLFSCG-SECBINFHSA-N 1 2 249.236 1.146 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000606905068 350627644 /nfs/dbraw/zinc/62/76/44/350627644.db2.gz RGIIVWVXHLFSCG-SECBINFHSA-N 1 2 249.236 1.146 20 0 BDADLO COC[C@@H](CCO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000606912809 350629045 /nfs/dbraw/zinc/62/90/45/350629045.db2.gz HNFCLOPAAMLNHD-SNVBAGLBSA-N 1 2 249.314 1.050 20 0 BDADLO Cc1cnn(C)c1NC(=O)CCc1c[nH+]cn1C ZINC000617278303 350664900 /nfs/dbraw/zinc/66/49/00/350664900.db2.gz CZKHVDWSJMTHSL-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2ncnn2C)[C@@H]1C ZINC000177202708 365985415 /nfs/dbraw/zinc/98/54/15/365985415.db2.gz VFDAHDUBLRBWEC-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2ncnn2C)[C@@H]1C ZINC000177202708 365985423 /nfs/dbraw/zinc/98/54/23/365985423.db2.gz VFDAHDUBLRBWEC-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000302268503 191119558 /nfs/dbraw/zinc/11/95/58/191119558.db2.gz RHZINUIGUVVPAF-HMDXOVGESA-N 1 2 207.277 1.524 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H](C)CC(C)(C)O ZINC000385051540 350754909 /nfs/dbraw/zinc/75/49/09/350754909.db2.gz SPTYMWMQZUORLR-SSDOTTSWSA-N 1 2 240.307 1.029 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H](C)CC(C)(C)O ZINC000385051540 350754914 /nfs/dbraw/zinc/75/49/14/350754914.db2.gz SPTYMWMQZUORLR-SSDOTTSWSA-N 1 2 240.307 1.029 20 0 BDADLO CC[C@@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000339111968 350734748 /nfs/dbraw/zinc/73/47/48/350734748.db2.gz KCVUGHDKVKRQJE-VXGBXAGGSA-N 1 2 246.314 1.255 20 0 BDADLO Cn1ncnc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000177352447 365995149 /nfs/dbraw/zinc/99/51/49/365995149.db2.gz XGLFSGGRSHOQSI-UHFFFAOYSA-N 1 2 248.252 1.589 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ccc(F)cn1 ZINC000339305061 180508396 /nfs/dbraw/zinc/50/83/96/180508396.db2.gz UKTQVULSGBUMIR-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)[C@H](C)CO ZINC000339628339 350769646 /nfs/dbraw/zinc/76/96/46/350769646.db2.gz NSCSZLOETHEAET-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)[C@H](C)CO ZINC000339628339 350769649 /nfs/dbraw/zinc/76/96/49/350769649.db2.gz NSCSZLOETHEAET-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)[C@H](C)CO ZINC000339630529 350770313 /nfs/dbraw/zinc/77/03/13/350770313.db2.gz VNYWIXRLWNEKLC-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)[C@H](C)CO ZINC000339630529 350770316 /nfs/dbraw/zinc/77/03/16/350770316.db2.gz VNYWIXRLWNEKLC-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@]1(C)CCOC1 ZINC000397391561 350836285 /nfs/dbraw/zinc/83/62/85/350836285.db2.gz QSDITRRYBNWDTI-LBPRGKRZSA-N 1 2 247.302 1.202 20 0 BDADLO CCNC(=O)C[NH+](C)Cc1cnc(C)s1 ZINC000052101043 350930013 /nfs/dbraw/zinc/93/00/13/350930013.db2.gz YLVZBBRNGQXDCT-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CCCc1noc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000052101904 350937187 /nfs/dbraw/zinc/93/71/87/350937187.db2.gz KLIQDFJFLURVID-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000052101904 350937190 /nfs/dbraw/zinc/93/71/90/350937190.db2.gz KLIQDFJFLURVID-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO COC[C@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000382581921 350882077 /nfs/dbraw/zinc/88/20/77/350882077.db2.gz WBYXMNNYRJGCCZ-CQSZACIVSA-N 1 2 246.310 1.466 20 0 BDADLO CCC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000052279456 350942229 /nfs/dbraw/zinc/94/22/29/350942229.db2.gz JOEYEWNJYCTFCR-UHFFFAOYSA-N 1 2 235.335 1.630 20 0 BDADLO CN(CC(F)F)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607145061 350945792 /nfs/dbraw/zinc/94/57/92/350945792.db2.gz WBCSSUXAFZTBNC-UHFFFAOYSA-N 1 2 239.229 1.364 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398304388 351025713 /nfs/dbraw/zinc/02/57/13/351025713.db2.gz HYITZVXLDSKWKG-ZJUUUORDSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398304388 351025716 /nfs/dbraw/zinc/02/57/16/351025716.db2.gz HYITZVXLDSKWKG-ZJUUUORDSA-N 1 2 208.309 1.863 20 0 BDADLO C/C=C/C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000623740422 351052482 /nfs/dbraw/zinc/05/24/82/351052482.db2.gz VVYHSFLNOLWHIH-AATRIKPKSA-N 1 2 209.297 1.094 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CC(=O)N1CCC1 ZINC000623121069 351053425 /nfs/dbraw/zinc/05/34/25/351053425.db2.gz PECYAEJNVJZOEW-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N1CCC1 ZINC000623121069 351053428 /nfs/dbraw/zinc/05/34/28/351053428.db2.gz PECYAEJNVJZOEW-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO CC(C)N(C(=O)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000052635250 351062669 /nfs/dbraw/zinc/06/26/69/351062669.db2.gz NJOSKIFAOWHBSV-LBPRGKRZSA-N 1 2 242.363 1.353 20 0 BDADLO C[C@H]1C[C@H](NCC(F)F)c2[nH+]ccn21 ZINC000306808838 351062802 /nfs/dbraw/zinc/06/28/02/351062802.db2.gz QDTDORZZQUXOSR-BQBZGAKWSA-N 1 2 201.220 1.744 20 0 BDADLO CC(C)[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398373952 351123820 /nfs/dbraw/zinc/12/38/20/351123820.db2.gz DSLUOUMGINGJRN-MWLCHTKSSA-N 1 2 224.308 1.098 20 0 BDADLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398373951 351123961 /nfs/dbraw/zinc/12/39/61/351123961.db2.gz DSLUOUMGINGJRN-KOLCDFICSA-N 1 2 224.308 1.098 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N2CC(O)C2)[nH+]1 ZINC000631096028 351071149 /nfs/dbraw/zinc/07/11/49/351071149.db2.gz SFCMYSWXIAIVIO-UHFFFAOYSA-N 1 2 232.287 1.262 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334395001 535158177 /nfs/dbraw/zinc/15/81/77/535158177.db2.gz JTSILTDPGZZAIS-VXGBXAGGSA-N 1 2 249.358 1.948 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cnn[nH]2)c1F ZINC000398458009 351160884 /nfs/dbraw/zinc/16/08/84/351160884.db2.gz QYXVKNAZWGPSLH-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CSc1ccc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000623578551 363011345 /nfs/dbraw/zinc/01/13/45/363011345.db2.gz MRNVHFRBOHEVNL-UHFFFAOYSA-N 1 2 240.357 1.878 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398379335 351127985 /nfs/dbraw/zinc/12/79/85/351127985.db2.gz UVRSUEXDIWFYOI-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398379335 351127987 /nfs/dbraw/zinc/12/79/87/351127987.db2.gz UVRSUEXDIWFYOI-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO CC[N@@H+](Cc1ncc[nH]1)C[C@H]1CCCO1 ZINC000265103308 351263155 /nfs/dbraw/zinc/26/31/55/351263155.db2.gz FNWYSURKQQOEIC-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO CC[N@H+](Cc1ncc[nH]1)C[C@H]1CCCO1 ZINC000265103308 351263160 /nfs/dbraw/zinc/26/31/60/351263160.db2.gz FNWYSURKQQOEIC-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO Cc1ccc(O)c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000335789578 538100113 /nfs/dbraw/zinc/10/01/13/538100113.db2.gz RQLSIORZAGYOCO-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO C[N@H+](CCOC[C@H]1CCCO1)Cc1ccon1 ZINC000607358948 351333687 /nfs/dbraw/zinc/33/36/87/351333687.db2.gz YUILLTONKRXHFG-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO C[N@@H+](CCOC[C@H]1CCCO1)Cc1ccon1 ZINC000607358948 351333693 /nfs/dbraw/zinc/33/36/93/351333693.db2.gz YUILLTONKRXHFG-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO CC[N@@H+](Cc1nccc(N)n1)C[C@H]1CCCO1 ZINC000269685037 351365736 /nfs/dbraw/zinc/36/57/36/351365736.db2.gz VBYSRVUXXPEPFO-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO CC[N@H+](Cc1nccc(N)n1)C[C@H]1CCCO1 ZINC000269685037 351365741 /nfs/dbraw/zinc/36/57/41/351365741.db2.gz VBYSRVUXXPEPFO-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269458912 351356503 /nfs/dbraw/zinc/35/65/03/351356503.db2.gz FUEZZTSAWCDEPM-VHSXEESVSA-N 1 2 241.360 1.529 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)[nH]n1 ZINC000623602350 363040391 /nfs/dbraw/zinc/04/03/91/363040391.db2.gz LXTCJZRRABRCRE-AWEZNQCLSA-N 1 2 243.310 1.641 20 0 BDADLO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccn[nH]1)CO2 ZINC000623607714 363047209 /nfs/dbraw/zinc/04/72/09/363047209.db2.gz MPXNZCYUPDYQOF-GFCCVEGCSA-N 1 2 243.310 1.811 20 0 BDADLO CCN1CC[N@H+](Cc2occc2C)CC1=O ZINC000273355929 351522221 /nfs/dbraw/zinc/52/22/21/351522221.db2.gz BYQFLZFIIQLMFK-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CCN1CC[N@@H+](Cc2occc2C)CC1=O ZINC000273355929 351522225 /nfs/dbraw/zinc/52/22/25/351522225.db2.gz BYQFLZFIIQLMFK-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CCN1CC[N@H+](C/C=C/c2ccccc2)CC1=O ZINC000273578812 351535950 /nfs/dbraw/zinc/53/59/50/351535950.db2.gz ZIALCPGMHDMERZ-RMKNXTFCSA-N 1 2 244.338 1.864 20 0 BDADLO CCN1CC[N@@H+](C/C=C/c2ccccc2)CC1=O ZINC000273578812 351535952 /nfs/dbraw/zinc/53/59/52/351535952.db2.gz ZIALCPGMHDMERZ-RMKNXTFCSA-N 1 2 244.338 1.864 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCC[C@@H](CO)C1 ZINC000577626380 366024499 /nfs/dbraw/zinc/02/44/99/366024499.db2.gz CHVQOIYMDYFURE-QWHCGFSZSA-N 1 2 249.358 1.726 20 0 BDADLO NC(=O)C1([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000177735352 366026587 /nfs/dbraw/zinc/02/65/87/366026587.db2.gz JYSOUWILFLXBKJ-UHFFFAOYSA-N 1 2 247.323 1.404 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000637828575 351676948 /nfs/dbraw/zinc/67/69/48/351676948.db2.gz RVVRXAGEHPCEIJ-UHFFFAOYSA-N 1 2 245.286 1.593 20 0 BDADLO C[C@@H](CC(=O)N(C)c1ccccn1)n1cc[nH+]c1 ZINC000577734971 366047984 /nfs/dbraw/zinc/04/79/84/366047984.db2.gz QOLMVIZJFTWJGA-NSHDSACASA-N 1 2 244.298 1.892 20 0 BDADLO Nc1ccc(NC(=O)c2ocnc2C2CC2)c[nH+]1 ZINC000637827723 351670480 /nfs/dbraw/zinc/67/04/80/351670480.db2.gz AGICYCXRXYXEBZ-UHFFFAOYSA-N 1 2 244.254 1.612 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000637909708 351780452 /nfs/dbraw/zinc/78/04/52/351780452.db2.gz GWHNLYCUFXZIJM-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000637909708 351780454 /nfs/dbraw/zinc/78/04/54/351780454.db2.gz GWHNLYCUFXZIJM-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO Cc1cc(C[N@@H+](CC(N)=O)CC(C)C)sn1 ZINC000637927065 351801904 /nfs/dbraw/zinc/80/19/04/351801904.db2.gz IHNBNTZNPMAGQT-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO Cc1cc(C[N@H+](CC(N)=O)CC(C)C)sn1 ZINC000637927065 351801906 /nfs/dbraw/zinc/80/19/06/351801906.db2.gz IHNBNTZNPMAGQT-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@](C)(O)C2)no1 ZINC000124388593 191142663 /nfs/dbraw/zinc/14/26/63/191142663.db2.gz PCUDNZSFIGVINW-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@](C)(O)C2)no1 ZINC000124388593 191142665 /nfs/dbraw/zinc/14/26/65/191142665.db2.gz PCUDNZSFIGVINW-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CO[C@H](C[N@H+](C)CC(F)F)C1CCOCC1 ZINC000637974501 351850178 /nfs/dbraw/zinc/85/01/78/351850178.db2.gz VETPFQORNGGRAK-SNVBAGLBSA-N 1 2 237.290 1.625 20 0 BDADLO CO[C@H](C[N@@H+](C)CC(F)F)C1CCOCC1 ZINC000637974501 351850179 /nfs/dbraw/zinc/85/01/79/351850179.db2.gz VETPFQORNGGRAK-SNVBAGLBSA-N 1 2 237.290 1.625 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2CCC[C@H]2CCO2)no1 ZINC000637998395 351875687 /nfs/dbraw/zinc/87/56/87/351875687.db2.gz IGIPDCCPXMNVMT-QWRGUYRKSA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2CCC[C@H]2CCO2)no1 ZINC000637998395 351875689 /nfs/dbraw/zinc/87/56/89/351875689.db2.gz IGIPDCCPXMNVMT-QWRGUYRKSA-N 1 2 237.303 1.776 20 0 BDADLO CC[N@H+](Cc1ccccc1F)[C@@H]1CCNC1=O ZINC000282512725 351934198 /nfs/dbraw/zinc/93/41/98/351934198.db2.gz XNQQSNKWUCLKPT-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO CC[N@@H+](Cc1ccccc1F)[C@@H]1CCNC1=O ZINC000282512725 351934201 /nfs/dbraw/zinc/93/42/01/351934201.db2.gz XNQQSNKWUCLKPT-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccns1 ZINC000638084058 351959080 /nfs/dbraw/zinc/95/90/80/351959080.db2.gz MRICAJHKUUURNI-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccns1 ZINC000638084058 351959082 /nfs/dbraw/zinc/95/90/82/351959082.db2.gz MRICAJHKUUURNI-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1ccon1)OC ZINC000638099652 351979853 /nfs/dbraw/zinc/97/98/53/351979853.db2.gz IJVQLGOMAAWNJI-LLVKDONJSA-N 1 2 212.293 1.922 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1ccon1)OC ZINC000638099652 351979858 /nfs/dbraw/zinc/97/98/58/351979858.db2.gz IJVQLGOMAAWNJI-LLVKDONJSA-N 1 2 212.293 1.922 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)sn1 ZINC000638181853 352049040 /nfs/dbraw/zinc/04/90/40/352049040.db2.gz YPFWUWKZNYQNEN-UWVGGRQHSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)sn1 ZINC000638181853 352049041 /nfs/dbraw/zinc/04/90/41/352049041.db2.gz YPFWUWKZNYQNEN-UWVGGRQHSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2C)o1 ZINC000083970716 352118467 /nfs/dbraw/zinc/11/84/67/352118467.db2.gz QXHCYXYDGGWEFP-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC=CCC1 ZINC000613323963 363105022 /nfs/dbraw/zinc/10/50/22/363105022.db2.gz ODRPXJRAFUZHOO-SNVBAGLBSA-N 1 2 231.299 1.303 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC=CCC1 ZINC000613323963 363105026 /nfs/dbraw/zinc/10/50/26/363105026.db2.gz ODRPXJRAFUZHOO-SNVBAGLBSA-N 1 2 231.299 1.303 20 0 BDADLO CN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC000073126937 352091741 /nfs/dbraw/zinc/09/17/41/352091741.db2.gz LFHYRSSXGVCVIL-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CO[C@@H](CNc1cccc[nH+]1)C1CCOCC1 ZINC000638394588 352200977 /nfs/dbraw/zinc/20/09/77/352200977.db2.gz GJAUPPQMAHUEKP-LBPRGKRZSA-N 1 2 236.315 1.935 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C(F)F)CC2)o1 ZINC000630072992 363156162 /nfs/dbraw/zinc/15/61/62/363156162.db2.gz ORIDFAPDEDBERO-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C(F)F)CC2)o1 ZINC000630072992 363156165 /nfs/dbraw/zinc/15/61/65/363156165.db2.gz ORIDFAPDEDBERO-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2ccns2)CCO1 ZINC000630072674 363156206 /nfs/dbraw/zinc/15/62/06/363156206.db2.gz HVZCXJRNEPPWCL-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2ccns2)CCO1 ZINC000630072674 363156210 /nfs/dbraw/zinc/15/62/10/363156210.db2.gz HVZCXJRNEPPWCL-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)C1CC1 ZINC000411172004 191165800 /nfs/dbraw/zinc/16/58/00/191165800.db2.gz YIQFMXGCEOSJEA-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)C1CC1 ZINC000411172004 191165803 /nfs/dbraw/zinc/16/58/03/191165803.db2.gz YIQFMXGCEOSJEA-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC000607857926 352289847 /nfs/dbraw/zinc/28/98/47/352289847.db2.gz XSTWEJRMRWIPGL-TXEJJXNPSA-N 1 2 247.342 1.778 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C12CCC(CC1)C2 ZINC000336018985 538102551 /nfs/dbraw/zinc/10/25/51/538102551.db2.gz KBNKEANRSFWRGH-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO CC(C)[C@H]([NH2+]CC[C@H](C)O)C(=O)OC(C)(C)C ZINC000411517761 191191408 /nfs/dbraw/zinc/19/14/08/191191408.db2.gz GRSYNVUCLRUZQN-QWRGUYRKSA-N 1 2 245.363 1.713 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411718444 191206395 /nfs/dbraw/zinc/20/63/95/191206395.db2.gz CFSWXMPKSYTZSC-YUMQZZPRSA-N 1 2 212.297 1.141 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411718444 191206398 /nfs/dbraw/zinc/20/63/98/191206398.db2.gz CFSWXMPKSYTZSC-YUMQZZPRSA-N 1 2 212.297 1.141 20 0 BDADLO CCNC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000411722633 191206654 /nfs/dbraw/zinc/20/66/54/191206654.db2.gz VSUIIQOXORJHHB-UHFFFAOYSA-N 1 2 234.290 1.680 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H](c2ccco2)C1 ZINC000121112104 180744098 /nfs/dbraw/zinc/74/40/98/180744098.db2.gz VJWZAJOZOLRIDR-LBPRGKRZSA-N 1 2 247.298 1.587 20 0 BDADLO CC(C)(C)c1cc(C(=O)NCc2c[nH+]c[nH]2)[nH]n1 ZINC000607948534 352451787 /nfs/dbraw/zinc/45/17/87/352451787.db2.gz UTBOHARGVQXEIG-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO CC(C)(C)c1cc(C(=O)NCc2c[nH]c[nH+]2)[nH]n1 ZINC000607948534 352451790 /nfs/dbraw/zinc/45/17/90/352451790.db2.gz UTBOHARGVQXEIG-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)C1CCCC1 ZINC000129232754 180750824 /nfs/dbraw/zinc/75/08/24/180750824.db2.gz MVYCINAZRRNUJC-AWEZNQCLSA-N 1 2 212.318 1.611 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613413412 363188331 /nfs/dbraw/zinc/18/83/31/363188331.db2.gz PQRAKTWDBSFRQV-URLYPYJESA-N 1 2 233.315 1.125 20 0 BDADLO CC[C@@H](O)CSc1[nH+]cnc2c1cnn2C ZINC000298223548 352496615 /nfs/dbraw/zinc/49/66/15/352496615.db2.gz HPRNROSGUFRKHI-SSDOTTSWSA-N 1 2 238.316 1.226 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)n1 ZINC000411841910 191215403 /nfs/dbraw/zinc/21/54/03/191215403.db2.gz GIQINSNEJFGABI-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H](C3CCC3)C2)n1 ZINC000411841910 191215404 /nfs/dbraw/zinc/21/54/04/191215404.db2.gz GIQINSNEJFGABI-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)ncn1 ZINC000411849038 191217968 /nfs/dbraw/zinc/21/79/68/191217968.db2.gz NYYWVAYAHBBUPU-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)ncn1 ZINC000411849038 191217971 /nfs/dbraw/zinc/21/79/71/191217971.db2.gz NYYWVAYAHBBUPU-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1nnc2n1CCC2 ZINC000608053431 352656657 /nfs/dbraw/zinc/65/66/57/352656657.db2.gz YAESQAOCPMPTIA-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO CN(C)c1ccc(NCCC[C@@H]2CCO2)[nH+]c1 ZINC000638758859 352695049 /nfs/dbraw/zinc/69/50/49/352695049.db2.gz BTOVSWCSNNGFIW-GFCCVEGCSA-N 1 2 235.331 1.551 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412045192 191244389 /nfs/dbraw/zinc/24/43/89/191244389.db2.gz RLYHPYSODAIVPB-UWVGGRQHSA-N 1 2 226.299 1.651 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412045192 191244391 /nfs/dbraw/zinc/24/43/91/191244391.db2.gz RLYHPYSODAIVPB-UWVGGRQHSA-N 1 2 226.299 1.651 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](CCC(F)(F)F)C2)n[nH]1 ZINC000412047515 191243328 /nfs/dbraw/zinc/24/33/28/191243328.db2.gz VEEIUSICNGMXKX-QMMMGPOBSA-N 1 2 248.252 1.855 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](CCC(F)(F)F)C2)n[nH]1 ZINC000412047515 191243330 /nfs/dbraw/zinc/24/33/30/191243330.db2.gz VEEIUSICNGMXKX-QMMMGPOBSA-N 1 2 248.252 1.855 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1nccn1C ZINC000341874788 352730490 /nfs/dbraw/zinc/73/04/90/352730490.db2.gz HTLOFPMGHHHTBI-LLVKDONJSA-N 1 2 233.319 1.395 20 0 BDADLO CC[C@@H](NCc1ccn(C)n1)c1[nH+]ccn1C ZINC000341874788 352730493 /nfs/dbraw/zinc/73/04/93/352730493.db2.gz HTLOFPMGHHHTBI-LLVKDONJSA-N 1 2 233.319 1.395 20 0 BDADLO c1cn([C@H]2CCCN(c3cccnn3)C2)c[nH+]1 ZINC000608082965 352750085 /nfs/dbraw/zinc/75/00/85/352750085.db2.gz BEIZOEDFPKDHNT-NSHDSACASA-N 1 2 229.287 1.515 20 0 BDADLO FC1(F)COCC[N@H+](CC2CCC2)C1 ZINC000334187077 352776711 /nfs/dbraw/zinc/77/67/11/352776711.db2.gz FVDLYIGMZKLGHS-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO FC1(F)COCC[N@@H+](CC2CCC2)C1 ZINC000334187077 352776713 /nfs/dbraw/zinc/77/67/13/352776713.db2.gz FVDLYIGMZKLGHS-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO O=C(CC(F)(F)F)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334215564 352815068 /nfs/dbraw/zinc/81/50/68/352815068.db2.gz BUJUWYLWCLRBOU-LURJTMIESA-N 1 2 247.220 1.336 20 0 BDADLO O=C(CC(F)(F)F)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334215564 352815069 /nfs/dbraw/zinc/81/50/69/352815069.db2.gz BUJUWYLWCLRBOU-LURJTMIESA-N 1 2 247.220 1.336 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000334242126 352830248 /nfs/dbraw/zinc/83/02/48/352830248.db2.gz XDPFONWIZRYMGA-PWSUYJOCSA-N 1 2 231.299 1.828 20 0 BDADLO FC1(F)CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000334192949 352784697 /nfs/dbraw/zinc/78/46/97/352784697.db2.gz IWPUCQMPRNPZOR-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000334192949 352784698 /nfs/dbraw/zinc/78/46/98/352784698.db2.gz IWPUCQMPRNPZOR-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO Cn1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)n1 ZINC000334193859 352786211 /nfs/dbraw/zinc/78/62/11/352786211.db2.gz SQJUJKVQUZTPQT-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCCC12CCC2 ZINC000334195130 352787853 /nfs/dbraw/zinc/78/78/53/352787853.db2.gz VVUPEUTWBWXZCI-UHFFFAOYSA-N 1 2 248.330 1.611 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ncccc1Cl ZINC000334209088 352805487 /nfs/dbraw/zinc/80/54/87/352805487.db2.gz CZUNCDQDNGQWBZ-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO C[C@]1(F)CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000334210612 352807670 /nfs/dbraw/zinc/80/76/70/352807670.db2.gz GHADYPHOTFEFRO-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@]1(F)CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000334210612 352807673 /nfs/dbraw/zinc/80/76/73/352807673.db2.gz GHADYPHOTFEFRO-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO CCc1csc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000334211573 352808673 /nfs/dbraw/zinc/80/86/73/352808673.db2.gz HDGJWHUDDHJGTK-VIFPVBQESA-N 1 2 239.344 1.738 20 0 BDADLO CCc1csc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000334211573 352808675 /nfs/dbraw/zinc/80/86/75/352808675.db2.gz HDGJWHUDDHJGTK-VIFPVBQESA-N 1 2 239.344 1.738 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC[C@@H](F)C2)cc[nH+]1 ZINC000334236389 352854310 /nfs/dbraw/zinc/85/43/10/352854310.db2.gz HUMFZGWKCPJCFK-ZJUUUORDSA-N 1 2 237.278 1.824 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccnc2C)[C@H](C)C1 ZINC000334259770 352871199 /nfs/dbraw/zinc/87/11/99/352871199.db2.gz QWWHVHWFUOLQSO-LLVKDONJSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccnc2C)[C@H](C)C1 ZINC000334259770 352871203 /nfs/dbraw/zinc/87/12/03/352871203.db2.gz QWWHVHWFUOLQSO-LLVKDONJSA-N 1 2 247.342 1.443 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334243799 352832389 /nfs/dbraw/zinc/83/23/89/352832389.db2.gz PXEOPXSXPKYTKV-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1CC1)CCC2 ZINC000334246471 352837074 /nfs/dbraw/zinc/83/70/74/352837074.db2.gz IILPGMYJWWMYKU-NSHDSACASA-N 1 2 233.315 1.595 20 0 BDADLO Cn1ncc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000289772934 180815018 /nfs/dbraw/zinc/81/50/18/180815018.db2.gz MGTOXJDKKQTJJG-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO Cn1ncc(C[N@H+]2CCCc3occc3C2)n1 ZINC000289772934 180815023 /nfs/dbraw/zinc/81/50/23/180815023.db2.gz MGTOXJDKKQTJJG-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO CN(Cc1cc[nH]n1)Cc1cccc2[nH+]ccn21 ZINC000342916443 352917638 /nfs/dbraw/zinc/91/76/38/352917638.db2.gz JSZJFBKLDRAZDI-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnc(OC)c1 ZINC000342864419 352881371 /nfs/dbraw/zinc/88/13/71/352881371.db2.gz NRZJPDVNFZICAD-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnc(OC)c1 ZINC000342864419 352881372 /nfs/dbraw/zinc/88/13/72/352881372.db2.gz NRZJPDVNFZICAD-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO COC1(C)CN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000334339195 352974037 /nfs/dbraw/zinc/97/40/37/352974037.db2.gz MBEUSSFVCWMQMW-UHFFFAOYSA-N 1 2 249.289 1.938 20 0 BDADLO COc1cccc(CN2CCn3cc[nH+]c3C2)c1 ZINC000334355207 352993956 /nfs/dbraw/zinc/99/39/56/352993956.db2.gz AHYXPGWSAFTQMV-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000334352302 352988689 /nfs/dbraw/zinc/98/86/89/352988689.db2.gz HQCMVZHKSDWRTC-UHFFFAOYSA-N 1 2 236.315 1.992 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC2(CCC2)C1 ZINC000334352302 352988691 /nfs/dbraw/zinc/98/86/91/352988691.db2.gz HQCMVZHKSDWRTC-UHFFFAOYSA-N 1 2 236.315 1.992 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC000334302595 352938401 /nfs/dbraw/zinc/93/84/01/352938401.db2.gz FIIOTWMUPSRGLG-GFCCVEGCSA-N 1 2 247.342 1.926 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000343078039 352955532 /nfs/dbraw/zinc/95/55/32/352955532.db2.gz KJPMRGNHQNFTQA-LLVKDONJSA-N 1 2 246.314 1.397 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000343078039 352955536 /nfs/dbraw/zinc/95/55/36/352955536.db2.gz KJPMRGNHQNFTQA-LLVKDONJSA-N 1 2 246.314 1.397 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000638837440 353022472 /nfs/dbraw/zinc/02/24/72/353022472.db2.gz UAQRBGSQPHUAOP-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO Cc1cnc(C[NH2+][C@H](CO)CC(F)(F)F)o1 ZINC000638826485 353001902 /nfs/dbraw/zinc/00/19/02/353001902.db2.gz DANNHWRWIQIVLV-ZETCQYMHSA-N 1 2 238.209 1.386 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)nn1 ZINC000414397710 259432162 /nfs/dbraw/zinc/43/21/62/259432162.db2.gz PPFCQMJCJGIMOB-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)nn1 ZINC000414397710 259432163 /nfs/dbraw/zinc/43/21/63/259432163.db2.gz PPFCQMJCJGIMOB-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO CCc1cc(NCC(F)(F)CO)nc[nH+]1 ZINC000231779779 538107390 /nfs/dbraw/zinc/10/73/90/538107390.db2.gz IMQNPYNWYSCRAY-UHFFFAOYSA-N 1 2 217.219 1.079 20 0 BDADLO CCc1cc(N[C@H](C)COCCOC)nc[nH+]1 ZINC000608089997 353111732 /nfs/dbraw/zinc/11/17/32/353111732.db2.gz AUHZCJOEBRFGAI-SNVBAGLBSA-N 1 2 239.319 1.502 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCC1CC1 ZINC000073822210 353114147 /nfs/dbraw/zinc/11/41/47/353114147.db2.gz GBVQHAQSJKPBSL-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO O=S(=O)(C1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334468670 353116153 /nfs/dbraw/zinc/11/61/53/353116153.db2.gz YAXPWRQIRWFWQJ-SECBINFHSA-N 1 2 241.316 1.039 20 0 BDADLO Cc1n[nH]cc1C[NH2+]C(C)(C)C(F)F ZINC000379617163 538108156 /nfs/dbraw/zinc/10/81/56/538108156.db2.gz AHOOAZPNKHSEDH-UHFFFAOYSA-N 1 2 203.236 1.851 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnoc1C1CC1 ZINC000364620092 188006634 /nfs/dbraw/zinc/00/66/34/188006634.db2.gz CKZKHMAMQLYJNH-GHMZBOCLSA-N 1 2 240.278 1.457 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+]1Cc1cnoc1C1CC1 ZINC000364620092 188006636 /nfs/dbraw/zinc/00/66/36/188006636.db2.gz CKZKHMAMQLYJNH-GHMZBOCLSA-N 1 2 240.278 1.457 20 0 BDADLO CC[C@H](C)CNc1ccc(N(C)CCO)c[nH+]1 ZINC000093107685 538108478 /nfs/dbraw/zinc/10/84/78/538108478.db2.gz RLFURMMABLPIHQ-NSHDSACASA-N 1 2 237.347 1.968 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000264331273 188021184 /nfs/dbraw/zinc/02/11/84/188021184.db2.gz XBKYAZVUIAJIPB-GHMZBOCLSA-N 1 2 221.304 1.578 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)c1cccnc1 ZINC000265126778 188021852 /nfs/dbraw/zinc/02/18/52/188021852.db2.gz PPGFNCDXANTCTD-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCCOC2)cc[nH+]1 ZINC000266422769 188022200 /nfs/dbraw/zinc/02/22/00/188022200.db2.gz SHRVBQOLILUBCC-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO Cc1nc(N2CCCO[C@@H](C)C2)cc[nH+]1 ZINC000266455066 188022290 /nfs/dbraw/zinc/02/22/90/188022290.db2.gz XUJNTQXSTWQFSH-VIFPVBQESA-N 1 2 207.277 1.400 20 0 BDADLO CC(C)=CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000277760133 188029837 /nfs/dbraw/zinc/02/98/37/188029837.db2.gz CUISUYVANLZAAJ-UHFFFAOYSA-N 1 2 232.291 1.324 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000280525608 188031249 /nfs/dbraw/zinc/03/12/49/188031249.db2.gz HZNCFXQPODKVFB-ZDUSSCGKSA-N 1 2 249.358 2.000 20 0 BDADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccccn1 ZINC000282608339 188033705 /nfs/dbraw/zinc/03/37/05/188033705.db2.gz IDMXPGJTZRHUFZ-UHFFFAOYSA-N 1 2 245.330 1.718 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)CCF ZINC000293687509 188037349 /nfs/dbraw/zinc/03/73/49/188037349.db2.gz QIEAYIZMJAMZFF-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)CCF ZINC000293687509 188037350 /nfs/dbraw/zinc/03/73/50/188037350.db2.gz QIEAYIZMJAMZFF-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO CC(C)[N@H+](Cc1cncc(F)c1)C1COC1 ZINC000296033571 188039326 /nfs/dbraw/zinc/03/93/26/188039326.db2.gz NLZNQEBYZIXOTP-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)[N@@H+](Cc1cncc(F)c1)C1COC1 ZINC000296033571 188039327 /nfs/dbraw/zinc/03/93/27/188039327.db2.gz NLZNQEBYZIXOTP-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1=CCCCC1 ZINC000295718107 188039474 /nfs/dbraw/zinc/03/94/74/188039474.db2.gz CPLCDWTWJNRMPQ-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO C=Cn1cc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000296131710 188040741 /nfs/dbraw/zinc/04/07/41/188040741.db2.gz UNXPTNHXDYBVPV-UHFFFAOYSA-N 1 2 219.288 1.347 20 0 BDADLO C=Cn1cc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000296131710 188040742 /nfs/dbraw/zinc/04/07/42/188040742.db2.gz UNXPTNHXDYBVPV-UHFFFAOYSA-N 1 2 219.288 1.347 20 0 BDADLO CC1(C)C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000299102216 188042140 /nfs/dbraw/zinc/04/21/40/188042140.db2.gz XYXYTZVSBVHNTE-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO C=Cn1cc(C[N@H+]2CCCC[C@@H]2C(=O)NC)cn1 ZINC000193705236 188004021 /nfs/dbraw/zinc/00/40/21/188004021.db2.gz XIFIYBNHNHNULX-GFCCVEGCSA-N 1 2 248.330 1.084 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCCC[C@@H]2C(=O)NC)cn1 ZINC000193705236 188004022 /nfs/dbraw/zinc/00/40/22/188004022.db2.gz XIFIYBNHNHNULX-GFCCVEGCSA-N 1 2 248.330 1.084 20 0 BDADLO CCCn1cc[nH+]c1CCCN(C)C(C)=O ZINC000192256008 188004785 /nfs/dbraw/zinc/00/47/85/188004785.db2.gz VJATYMDOAPZYMO-UHFFFAOYSA-N 1 2 223.320 1.704 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000331254598 188046833 /nfs/dbraw/zinc/04/68/33/188046833.db2.gz XHAPNMRWKYYCDF-NSHDSACASA-N 1 2 240.351 1.450 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C[C@H](C)O)C(C)C ZINC000331254598 188046835 /nfs/dbraw/zinc/04/68/35/188046835.db2.gz XHAPNMRWKYYCDF-NSHDSACASA-N 1 2 240.351 1.450 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000336263595 188053709 /nfs/dbraw/zinc/05/37/09/188053709.db2.gz ZCZIVRMLGODEKW-NSHDSACASA-N 1 2 209.293 1.267 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000336263595 188053710 /nfs/dbraw/zinc/05/37/10/188053710.db2.gz ZCZIVRMLGODEKW-NSHDSACASA-N 1 2 209.293 1.267 20 0 BDADLO CC(=O)N1CCC[N@H+](Cc2nccs2)CC1 ZINC000336472450 188057452 /nfs/dbraw/zinc/05/74/52/188057452.db2.gz USKVFVMLCHSIOY-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC(=O)N1CCC[N@@H+](Cc2nccs2)CC1 ZINC000336472450 188057453 /nfs/dbraw/zinc/05/74/53/188057453.db2.gz USKVFVMLCHSIOY-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336568048 188058193 /nfs/dbraw/zinc/05/81/93/188058193.db2.gz HPXKKQRRRADMSM-LLVKDONJSA-N 1 2 233.315 1.528 20 0 BDADLO CC(C)=CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000336568049 188058590 /nfs/dbraw/zinc/05/85/90/188058590.db2.gz HPXKKQRRRADMSM-NSHDSACASA-N 1 2 233.315 1.528 20 0 BDADLO CC(C)OCCCC(=O)NCc1c[nH+]cn1C ZINC000291496785 538110550 /nfs/dbraw/zinc/11/05/50/538110550.db2.gz ROTXDLANCYIGED-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO CN(c1cc[nH+]c2ccncc21)[C@H]1CCC[C@H]1O ZINC000343253232 353247447 /nfs/dbraw/zinc/24/74/47/353247447.db2.gz RZKDVLOKJULLJG-UONOGXRCSA-N 1 2 243.310 1.979 20 0 BDADLO COC[C@H](C)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000134468391 538112618 /nfs/dbraw/zinc/11/26/18/538112618.db2.gz PVJBFQHWMNKGCZ-QMMMGPOBSA-N 1 2 227.308 1.492 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCCOC2)o1 ZINC000575031183 353281616 /nfs/dbraw/zinc/28/16/16/353281616.db2.gz OUPJJKDLMLNBEK-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCCOC2)o1 ZINC000575031183 353281620 /nfs/dbraw/zinc/28/16/20/353281620.db2.gz OUPJJKDLMLNBEK-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO COc1ccc(N[C@@H]2CCO[C@H]2C)[nH+]c1 ZINC000225835557 538114192 /nfs/dbraw/zinc/11/41/92/538114192.db2.gz KOCVNYXTOKDAAC-WCBMZHEXSA-N 1 2 208.261 1.680 20 0 BDADLO Cc1cncc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000608135408 353290674 /nfs/dbraw/zinc/29/06/74/353290674.db2.gz CNTODAZCRARIMB-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)[C@@H](C)CN1C ZINC000639057978 353363583 /nfs/dbraw/zinc/36/35/83/353363583.db2.gz HPLUGKBTVLLGSY-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)[C@@H](C)CN1C ZINC000639057978 353363588 /nfs/dbraw/zinc/36/35/88/353363588.db2.gz HPLUGKBTVLLGSY-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccns1 ZINC000639057977 353363709 /nfs/dbraw/zinc/36/37/09/353363709.db2.gz HPLUGKBTVLLGSY-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccns1 ZINC000639057977 353363712 /nfs/dbraw/zinc/36/37/12/353363712.db2.gz HPLUGKBTVLLGSY-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(C)[nH]1 ZINC000642288241 363218846 /nfs/dbraw/zinc/21/88/46/363218846.db2.gz MUKMGYXGKKRIDU-UHFFFAOYSA-N 1 2 246.314 1.648 20 0 BDADLO Cc1cc(N)nc(SCc2ccon2)[nH+]1 ZINC000074015069 353374707 /nfs/dbraw/zinc/37/47/07/353374707.db2.gz OLHFTSSRJWFZJO-UHFFFAOYSA-N 1 2 222.273 1.648 20 0 BDADLO CC[C@](C)(C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083788 353423525 /nfs/dbraw/zinc/42/35/25/353423525.db2.gz FVSYMGJQHGZVMB-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@](C)(C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083788 353423527 /nfs/dbraw/zinc/42/35/27/353423527.db2.gz FVSYMGJQHGZVMB-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)c(C)[nH]1 ZINC000642291413 363223583 /nfs/dbraw/zinc/22/35/83/363223583.db2.gz SYXKCWIATBUZRH-UHFFFAOYSA-N 1 2 246.314 1.637 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccns2)C[C@@H](C)O1 ZINC000639087855 353435100 /nfs/dbraw/zinc/43/51/00/353435100.db2.gz OZIASYMICBHYJF-NXEZZACHSA-N 1 2 242.344 1.379 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccns2)C[C@@H](C)O1 ZINC000639087855 353435103 /nfs/dbraw/zinc/43/51/03/353435103.db2.gz OZIASYMICBHYJF-NXEZZACHSA-N 1 2 242.344 1.379 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)sn1 ZINC000639093677 353471470 /nfs/dbraw/zinc/47/14/70/353471470.db2.gz NNZDZPJSDWKQQP-ZJUUUORDSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)sn1 ZINC000639093677 353471472 /nfs/dbraw/zinc/47/14/72/353471472.db2.gz NNZDZPJSDWKQQP-ZJUUUORDSA-N 1 2 242.344 1.033 20 0 BDADLO CCC[C@@H](C[N@@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639098148 353496876 /nfs/dbraw/zinc/49/68/76/353496876.db2.gz HHIAHHIASHMFMZ-QWRGUYRKSA-N 1 2 238.335 1.470 20 0 BDADLO CCC[C@@H](C[N@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639098148 353496879 /nfs/dbraw/zinc/49/68/79/353496879.db2.gz HHIAHHIASHMFMZ-QWRGUYRKSA-N 1 2 238.335 1.470 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000398420471 363236324 /nfs/dbraw/zinc/23/63/24/363236324.db2.gz YCFXZYSNWPECOU-LLVKDONJSA-N 1 2 236.319 1.244 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000398420471 363236332 /nfs/dbraw/zinc/23/63/32/363236332.db2.gz YCFXZYSNWPECOU-LLVKDONJSA-N 1 2 236.319 1.244 20 0 BDADLO Cc1cc(NCC2CCC(O)CC2)c(C#N)c[nH+]1 ZINC000399001466 353550421 /nfs/dbraw/zinc/55/04/21/353550421.db2.gz SYWHHCBQELSPBB-UHFFFAOYSA-N 1 2 245.326 1.647 20 0 BDADLO Cn1nc(C2CC2)nc1COc1cc[nH+]cc1 ZINC000577870367 366092570 /nfs/dbraw/zinc/09/25/70/366092570.db2.gz BPLBUJYKYRSJEZ-UHFFFAOYSA-N 1 2 230.271 1.667 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H]2CCCO2)CCCCC1 ZINC000037957193 358480509 /nfs/dbraw/zinc/48/05/09/358480509.db2.gz IEIDZKSYQXQYAM-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)[C@@H](C)[C@H]1C ZINC000642318844 363258497 /nfs/dbraw/zinc/25/84/97/363258497.db2.gz YPDUBWKKZJHPEZ-UTLUCORTSA-N 1 2 248.330 1.762 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)[C@@H](C)[C@H]1C ZINC000642318844 363258500 /nfs/dbraw/zinc/25/85/00/363258500.db2.gz YPDUBWKKZJHPEZ-UTLUCORTSA-N 1 2 248.330 1.762 20 0 BDADLO CCc1nc(C[N@H+](C[C@H](C)O)C(C)C)no1 ZINC000107050145 353780338 /nfs/dbraw/zinc/78/03/38/353780338.db2.gz VZNGVYMUBSBYQP-VIFPVBQESA-N 1 2 227.308 1.223 20 0 BDADLO CCc1nc(C[N@@H+](C[C@H](C)O)C(C)C)no1 ZINC000107050145 353780341 /nfs/dbraw/zinc/78/03/41/353780341.db2.gz VZNGVYMUBSBYQP-VIFPVBQESA-N 1 2 227.308 1.223 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528394479 324220420 /nfs/dbraw/zinc/22/04/20/324220420.db2.gz IMNXHZNYWFEMFH-NSHDSACASA-N 1 2 239.344 1.372 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528394479 324220422 /nfs/dbraw/zinc/22/04/22/324220422.db2.gz IMNXHZNYWFEMFH-NSHDSACASA-N 1 2 239.344 1.372 20 0 BDADLO Cc1ncc([C@@H](C)[N@@H+]2CCOC[C@H]2C)c(C)n1 ZINC000639125562 353820212 /nfs/dbraw/zinc/82/02/12/353820212.db2.gz NNNAVNSRMXUXDF-MWLCHTKSSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@@H](C)[N@H+]2CCOC[C@H]2C)c(C)n1 ZINC000639125562 353820216 /nfs/dbraw/zinc/82/02/16/353820216.db2.gz NNNAVNSRMXUXDF-MWLCHTKSSA-N 1 2 235.331 1.875 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000336227167 181020893 /nfs/dbraw/zinc/02/08/93/181020893.db2.gz HQQRYBCWPHGUMM-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cnccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000336227167 181020895 /nfs/dbraw/zinc/02/08/95/181020895.db2.gz HQQRYBCWPHGUMM-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000336227166 181021323 /nfs/dbraw/zinc/02/13/23/181021323.db2.gz HQQRYBCWPHGUMM-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cnccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000336227166 181021324 /nfs/dbraw/zinc/02/13/24/181021324.db2.gz HQQRYBCWPHGUMM-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO Cc1nc(N(C)C)nc(NCC(C)(C)C)[nH+]1 ZINC000309531104 491056461 /nfs/dbraw/zinc/05/64/61/491056461.db2.gz DJCCGSAIZKLSKS-UHFFFAOYSA-N 1 2 223.324 1.704 20 0 BDADLO Cc1nc(NCC(C)(C)C)nc(N(C)C)[nH+]1 ZINC000309531104 491056462 /nfs/dbraw/zinc/05/64/62/491056462.db2.gz DJCCGSAIZKLSKS-UHFFFAOYSA-N 1 2 223.324 1.704 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)sn1 ZINC000639141685 353849472 /nfs/dbraw/zinc/84/94/72/353849472.db2.gz IEPDJQCUEXODJS-AOOOYVTPSA-N 1 2 240.328 1.051 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)sn1 ZINC000639141685 353849473 /nfs/dbraw/zinc/84/94/73/353849473.db2.gz IEPDJQCUEXODJS-AOOOYVTPSA-N 1 2 240.328 1.051 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC000639143979 353850226 /nfs/dbraw/zinc/85/02/26/353850226.db2.gz QPALNHPXDCSQJV-ZETCQYMHSA-N 1 2 234.271 1.957 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000639143979 353850227 /nfs/dbraw/zinc/85/02/27/353850227.db2.gz QPALNHPXDCSQJV-ZETCQYMHSA-N 1 2 234.271 1.957 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccno2)[C@H](C(N)=O)C1 ZINC000334537840 353925125 /nfs/dbraw/zinc/92/51/25/353925125.db2.gz WWKXICQJFYMFOO-WPRPVWTQSA-N 1 2 223.276 1.810 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccno2)[C@H](C(N)=O)C1 ZINC000334537840 353925129 /nfs/dbraw/zinc/92/51/29/353925129.db2.gz WWKXICQJFYMFOO-WPRPVWTQSA-N 1 2 223.276 1.810 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nc(C)no1 ZINC000343598673 353930162 /nfs/dbraw/zinc/93/01/62/353930162.db2.gz DQRKMWNHFKOKHA-QMMMGPOBSA-N 1 2 241.291 1.152 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nc(C)no1 ZINC000343598673 353930165 /nfs/dbraw/zinc/93/01/65/353930165.db2.gz DQRKMWNHFKOKHA-QMMMGPOBSA-N 1 2 241.291 1.152 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000334541448 353975433 /nfs/dbraw/zinc/97/54/33/353975433.db2.gz PZMJVLXSEKAAPZ-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000334541448 353975434 /nfs/dbraw/zinc/97/54/34/353975434.db2.gz PZMJVLXSEKAAPZ-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO c1cc2[nH+]ccc(NCC[C@H]3CCOC3)c2cn1 ZINC000343803952 354007620 /nfs/dbraw/zinc/00/76/20/354007620.db2.gz WAHOQRAMZCBTSE-NSHDSACASA-N 1 2 243.310 1.890 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C(=O)OC ZINC000343814474 354012639 /nfs/dbraw/zinc/01/26/39/354012639.db2.gz LFAAAFCVWPIECC-AXFHLTTASA-N 1 2 245.363 1.571 20 0 BDADLO CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCS1 ZINC000074186069 354034828 /nfs/dbraw/zinc/03/48/28/354034828.db2.gz IHFZFKRAEZJMMH-JTQLQIEISA-N 1 2 239.344 1.237 20 0 BDADLO C[C@H](C(=O)N1[C@H](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000343910329 354038881 /nfs/dbraw/zinc/03/88/81/354038881.db2.gz CTHQKZJYUZUVSD-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H](O)[C@@H](C)SCCn1cc[nH+]c1 ZINC000230355664 363304922 /nfs/dbraw/zinc/30/49/22/363304922.db2.gz AOCIJVUFBZUHNU-RKDXNWHRSA-N 1 2 200.307 1.386 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn(C)nn1 ZINC000334569041 354093673 /nfs/dbraw/zinc/09/36/73/354093673.db2.gz OIQPCGLOOJOHSO-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nn1 ZINC000334569041 354093676 /nfs/dbraw/zinc/09/36/76/354093676.db2.gz OIQPCGLOOJOHSO-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1C[NH+](Cc2cn(C)nn2)C[C@H](C)S1 ZINC000334569379 354094937 /nfs/dbraw/zinc/09/49/37/354094937.db2.gz LWEUTLMOVLRBRA-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCS2)C1 ZINC000334562639 354118938 /nfs/dbraw/zinc/11/89/38/354118938.db2.gz HYDJMJKQAUUYRE-JTQLQIEISA-N 1 2 228.361 1.091 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000449669522 202001337 /nfs/dbraw/zinc/00/13/37/202001337.db2.gz XXPFLGQFUFZIPN-UWVGGRQHSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344147849 354154327 /nfs/dbraw/zinc/15/43/27/354154327.db2.gz RFGCJOYQZSKFEU-ZJUUUORDSA-N 1 2 238.335 1.878 20 0 BDADLO CCC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344147849 354154331 /nfs/dbraw/zinc/15/43/31/354154331.db2.gz RFGCJOYQZSKFEU-ZJUUUORDSA-N 1 2 238.335 1.878 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000231347724 363342043 /nfs/dbraw/zinc/34/20/43/363342043.db2.gz FOORGLSVNJQESA-SFYZADRCSA-N 1 2 203.307 1.033 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cccc(F)c1 ZINC000344249903 354189718 /nfs/dbraw/zinc/18/97/18/354189718.db2.gz YOUSWVINIVLDJJ-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C(=O)NC1CC1)C2 ZINC000371007134 354217736 /nfs/dbraw/zinc/21/77/36/354217736.db2.gz KAJDAOYUIOURPV-UHFFFAOYSA-N 1 2 234.303 1.188 20 0 BDADLO FC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000334584696 354207064 /nfs/dbraw/zinc/20/70/64/354207064.db2.gz OGUBXZIWGCUURF-SECBINFHSA-N 1 2 235.262 1.738 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000334592370 354246808 /nfs/dbraw/zinc/24/68/08/354246808.db2.gz HIMYNSPTPUFDIO-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000334592370 354246811 /nfs/dbraw/zinc/24/68/11/354246811.db2.gz HIMYNSPTPUFDIO-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000334592370 354246815 /nfs/dbraw/zinc/24/68/15/354246815.db2.gz HIMYNSPTPUFDIO-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000334592370 354246817 /nfs/dbraw/zinc/24/68/17/354246817.db2.gz HIMYNSPTPUFDIO-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334592467 354247566 /nfs/dbraw/zinc/24/75/66/354247566.db2.gz DDVDLLMMFLPWQW-SECBINFHSA-N 1 2 236.319 1.318 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334592467 354247568 /nfs/dbraw/zinc/24/75/68/354247568.db2.gz DDVDLLMMFLPWQW-SECBINFHSA-N 1 2 236.319 1.318 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000334596954 354230690 /nfs/dbraw/zinc/23/06/90/354230690.db2.gz USLUMJWNGKJVQQ-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CC=CC1 ZINC000334596961 354230762 /nfs/dbraw/zinc/23/07/62/354230762.db2.gz UTWPTGZZKCQBAT-LLVKDONJSA-N 1 2 231.299 1.280 20 0 BDADLO CC(C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000074228750 354283101 /nfs/dbraw/zinc/28/31/01/354283101.db2.gz XFRAFFBUMHLZJA-GFCCVEGCSA-N 1 2 235.331 1.778 20 0 BDADLO Cc1ccncc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000334613117 354297618 /nfs/dbraw/zinc/29/76/18/354297618.db2.gz GIGMBNQSRGRFKF-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC1(F)CC1 ZINC000577972627 366154692 /nfs/dbraw/zinc/15/46/92/366154692.db2.gz MQWQJKBYMUAQQG-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000577972627 366154693 /nfs/dbraw/zinc/15/46/93/366154693.db2.gz MQWQJKBYMUAQQG-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO COC[C@H]([NH2+]Cc1cnc(C)cn1)c1ccco1 ZINC000344792783 354373020 /nfs/dbraw/zinc/37/30/20/354373020.db2.gz UFORMNQGHLKXDE-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CCOCC(F)(F)C1)OC ZINC000639186790 354386556 /nfs/dbraw/zinc/38/65/56/354386556.db2.gz SRPQGFRQBXMHGN-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO CC[C@@](C)(C[N@H+]1CCOCC(F)(F)C1)OC ZINC000639186790 354386557 /nfs/dbraw/zinc/38/65/57/354386557.db2.gz SRPQGFRQBXMHGN-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO CC(C)OCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000344919148 354387378 /nfs/dbraw/zinc/38/73/78/354387378.db2.gz YPOLBBFJYSUFCZ-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CC(C)OCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000344919148 354387379 /nfs/dbraw/zinc/38/73/79/354387379.db2.gz YPOLBBFJYSUFCZ-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578023051 366187910 /nfs/dbraw/zinc/18/79/10/366187910.db2.gz NQXNNPFXQATNMC-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578023051 366187922 /nfs/dbraw/zinc/18/79/22/366187922.db2.gz NQXNNPFXQATNMC-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578023051 366187933 /nfs/dbraw/zinc/18/79/33/366187933.db2.gz NQXNNPFXQATNMC-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578023051 366187941 /nfs/dbraw/zinc/18/79/41/366187941.db2.gz NQXNNPFXQATNMC-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578023051 366187942 /nfs/dbraw/zinc/18/79/42/366187942.db2.gz NQXNNPFXQATNMC-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000334677224 354421281 /nfs/dbraw/zinc/42/12/81/354421281.db2.gz XJQNWCNIRNTWDS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000334677224 354421283 /nfs/dbraw/zinc/42/12/83/354421283.db2.gz XJQNWCNIRNTWDS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO FC[C@H]1CN(c2cccc[nH+]2)CCCO1 ZINC000334653691 354447398 /nfs/dbraw/zinc/44/73/98/354447398.db2.gz TUCZPMODVGRIDH-JTQLQIEISA-N 1 2 210.252 1.646 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000334658146 354453507 /nfs/dbraw/zinc/45/35/07/354453507.db2.gz BAFUVTGRRMRBME-UHFFFAOYSA-N 1 2 232.287 1.627 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)on1 ZINC000334659141 354455262 /nfs/dbraw/zinc/45/52/62/354455262.db2.gz ZTKVPSMTLRYXJT-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(C)on1 ZINC000334659141 354455266 /nfs/dbraw/zinc/45/52/66/354455266.db2.gz ZTKVPSMTLRYXJT-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO COC1CN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000334663276 354463205 /nfs/dbraw/zinc/46/32/05/354463205.db2.gz BMKMEYUSBSDHQM-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2cscn2)c2[nH+]ccn21 ZINC000334746816 354471324 /nfs/dbraw/zinc/47/13/24/354471324.db2.gz CRFUKMGMODJOEO-SFYZADRCSA-N 1 2 248.311 1.775 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCC[C@H]2F)cc[nH+]1 ZINC000334691398 354480341 /nfs/dbraw/zinc/48/03/41/354480341.db2.gz AERUJHHSTAJLMX-MNOVXSKESA-N 1 2 237.278 1.824 20 0 BDADLO CC(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334696985 354488339 /nfs/dbraw/zinc/48/83/39/354488339.db2.gz QVYQYEIHLBQYLK-UHFFFAOYSA-N 1 2 207.277 1.814 20 0 BDADLO COc1cc[nH+]c(CN2CC[C@@H](F)C2)c1 ZINC000334702261 354495023 /nfs/dbraw/zinc/49/50/23/354495023.db2.gz PFJGEDFTLCGZKO-SECBINFHSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccnc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000334702261 354495028 /nfs/dbraw/zinc/49/50/28/354495028.db2.gz PFJGEDFTLCGZKO-SECBINFHSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccnc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000334702261 354495030 /nfs/dbraw/zinc/49/50/30/354495030.db2.gz PFJGEDFTLCGZKO-SECBINFHSA-N 1 2 210.252 1.634 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)c1ccccc1 ZINC000334707765 354502280 /nfs/dbraw/zinc/50/22/80/354502280.db2.gz MXUIPPMQQDRRNB-UHFFFAOYSA-N 1 2 236.296 1.394 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)c[nH+]1 ZINC000334716011 354514950 /nfs/dbraw/zinc/51/49/50/354514950.db2.gz MYDHGGRYRRSNNV-PWSUYJOCSA-N 1 2 221.304 1.883 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000032860165 354555324 /nfs/dbraw/zinc/55/53/24/354555324.db2.gz RSNSVNJIJYZIEC-UHFFFAOYSA-N 1 2 215.256 1.546 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2ccccn2)c2[nH+]ccn21 ZINC000334744531 354548479 /nfs/dbraw/zinc/54/84/79/354548479.db2.gz TWRIBYUAWZSKCV-GXSJLCMTSA-N 1 2 242.282 1.714 20 0 BDADLO C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)[C@H](C)CO1 ZINC000334796060 354550151 /nfs/dbraw/zinc/55/01/51/354550151.db2.gz XMBCPTVLWFTPHW-NXEZZACHSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)[C@H](C)CO1 ZINC000334796060 354550155 /nfs/dbraw/zinc/55/01/55/354550155.db2.gz XMBCPTVLWFTPHW-NXEZZACHSA-N 1 2 243.738 1.646 20 0 BDADLO FC(F)c1noc(C[NH+]2CCCCC2)n1 ZINC000335087936 354622434 /nfs/dbraw/zinc/62/24/34/354622434.db2.gz SZMPRPBIWUNEHY-UHFFFAOYSA-N 1 2 217.219 1.993 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C2CCC2)C1 ZINC000335102853 354686202 /nfs/dbraw/zinc/68/62/02/354686202.db2.gz MXBZAJXZFIWSRT-UHFFFAOYSA-N 1 2 233.315 1.519 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(F)F)[C@]12CCCO2 ZINC000639207990 354700134 /nfs/dbraw/zinc/70/01/34/354700134.db2.gz MNUPWTUGEFAJFI-CKYFFXLPSA-N 1 2 249.301 1.958 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000335113497 354701606 /nfs/dbraw/zinc/70/16/06/354701606.db2.gz DEFYPDANJRBQRY-JTQLQIEISA-N 1 2 246.301 1.934 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000335113497 354701609 /nfs/dbraw/zinc/70/16/09/354701609.db2.gz DEFYPDANJRBQRY-JTQLQIEISA-N 1 2 246.301 1.934 20 0 BDADLO CC[N@H+](CCCO)Cc1ncnn1CC(C)C ZINC000166013233 354765308 /nfs/dbraw/zinc/76/53/08/354765308.db2.gz MLUOFUFBTLEYIQ-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CC[N@@H+](CCCO)Cc1ncnn1CC(C)C ZINC000166013233 354765310 /nfs/dbraw/zinc/76/53/10/354765310.db2.gz MLUOFUFBTLEYIQ-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345760101 354778051 /nfs/dbraw/zinc/77/80/51/354778051.db2.gz MQJBPIGENCCLSM-LPEHRKFASA-N 1 2 248.317 1.925 20 0 BDADLO CCOC[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233742506 363407646 /nfs/dbraw/zinc/40/76/46/363407646.db2.gz ACELJCFPWVDZPG-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO CCOC[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233742506 363407648 /nfs/dbraw/zinc/40/76/48/363407648.db2.gz ACELJCFPWVDZPG-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1Cc2cccc(F)c2C1 ZINC000335169452 354931737 /nfs/dbraw/zinc/93/17/37/354931737.db2.gz QJEZGAFYBWQGAQ-NSHDSACASA-N 1 2 220.247 1.030 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1Cc2cccc(F)c2C1 ZINC000335169452 354931741 /nfs/dbraw/zinc/93/17/41/354931741.db2.gz QJEZGAFYBWQGAQ-NSHDSACASA-N 1 2 220.247 1.030 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000335959221 134024244 /nfs/dbraw/zinc/02/42/44/134024244.db2.gz UNIKZDZBYLLWBV-JTQLQIEISA-N 1 2 223.251 1.720 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000335959221 134024245 /nfs/dbraw/zinc/02/42/45/134024245.db2.gz UNIKZDZBYLLWBV-JTQLQIEISA-N 1 2 223.251 1.720 20 0 BDADLO Cc1cc(NCCOc2ccccc2F)nc[nH+]1 ZINC000346592251 354986751 /nfs/dbraw/zinc/98/67/51/354986751.db2.gz MDYYVPOQGHNVOG-UHFFFAOYSA-N 1 2 247.273 1.837 20 0 BDADLO O=C(COCc1[nH]cc[nH+]1)NC1CCCCC1 ZINC000346623412 354995813 /nfs/dbraw/zinc/99/58/13/354995813.db2.gz XWCXRPRUQDCRHW-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO O=C(CC[N@H+]1CCC(F)(F)C1)N1CCCCC1 ZINC000335202893 355036520 /nfs/dbraw/zinc/03/65/20/355036520.db2.gz RDPDFDQEZJXNOZ-UHFFFAOYSA-N 1 2 246.301 1.730 20 0 BDADLO O=C(CC[N@@H+]1CCC(F)(F)C1)N1CCCCC1 ZINC000335202893 355036525 /nfs/dbraw/zinc/03/65/25/355036525.db2.gz RDPDFDQEZJXNOZ-UHFFFAOYSA-N 1 2 246.301 1.730 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCOC[C@H]2C)o1 ZINC000335229372 355071939 /nfs/dbraw/zinc/07/19/39/355071939.db2.gz SXPWWVQXZSMWMO-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCOC[C@H]2C)o1 ZINC000335229372 355071942 /nfs/dbraw/zinc/07/19/42/355071942.db2.gz SXPWWVQXZSMWMO-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000335214682 355052259 /nfs/dbraw/zinc/05/22/59/355052259.db2.gz FTFGAURIQFZDCH-SNVBAGLBSA-N 1 2 248.330 1.528 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000639228815 355108598 /nfs/dbraw/zinc/10/85/98/355108598.db2.gz QICUIIZSRLCXQL-QWRGUYRKSA-N 1 2 223.295 1.915 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CC[C@H](F)C1 ZINC000639228815 355108599 /nfs/dbraw/zinc/10/85/99/355108599.db2.gz QICUIIZSRLCXQL-QWRGUYRKSA-N 1 2 223.295 1.915 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](F)C2)sn1 ZINC000639229392 355118820 /nfs/dbraw/zinc/11/88/20/355118820.db2.gz VIDSQOWVCZKIIF-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](F)C2)sn1 ZINC000639229392 355118822 /nfs/dbraw/zinc/11/88/22/355118822.db2.gz VIDSQOWVCZKIIF-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000335232325 355092972 /nfs/dbraw/zinc/09/29/72/355092972.db2.gz IXCGOLPYLKSXTO-MRVPVSSYSA-N 1 2 231.255 1.290 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000335232325 355092974 /nfs/dbraw/zinc/09/29/74/355092974.db2.gz IXCGOLPYLKSXTO-MRVPVSSYSA-N 1 2 231.255 1.290 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)c1ccc2[nH+]ccn2c1 ZINC000335253395 355209922 /nfs/dbraw/zinc/20/99/22/355209922.db2.gz PVTRIMMPDDCWFH-UWVGGRQHSA-N 1 2 229.283 1.957 20 0 BDADLO FC(F)COCC[N@@H+]1CCc2ncsc2C1 ZINC000346963511 355171435 /nfs/dbraw/zinc/17/14/35/355171435.db2.gz BGLHXSSWGNYQLF-UHFFFAOYSA-N 1 2 248.298 1.783 20 0 BDADLO FC(F)COCC[N@H+]1CCc2ncsc2C1 ZINC000346963511 355171437 /nfs/dbraw/zinc/17/14/37/355171437.db2.gz BGLHXSSWGNYQLF-UHFFFAOYSA-N 1 2 248.298 1.783 20 0 BDADLO COCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413081092 191355304 /nfs/dbraw/zinc/35/53/04/191355304.db2.gz ZYBOUAGDMTWFIN-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO COCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413081092 191355307 /nfs/dbraw/zinc/35/53/07/191355307.db2.gz ZYBOUAGDMTWFIN-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO CO[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413119530 191357274 /nfs/dbraw/zinc/35/72/74/191357274.db2.gz ONIFRNWAJXKHEC-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CO[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413119530 191357276 /nfs/dbraw/zinc/35/72/76/191357276.db2.gz ONIFRNWAJXKHEC-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CS(=O)(=O)C1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639243656 355230070 /nfs/dbraw/zinc/23/00/70/355230070.db2.gz GYOVNYCZMXVXLJ-MXWKQRLJSA-N 1 2 243.372 1.151 20 0 BDADLO CC[C@@H]1C[N@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000347620795 355238525 /nfs/dbraw/zinc/23/85/25/355238525.db2.gz JSHHCLSEOQOLBE-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000347620795 355238528 /nfs/dbraw/zinc/23/85/28/355238528.db2.gz JSHHCLSEOQOLBE-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CN(CC1CC1)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000113504011 355241879 /nfs/dbraw/zinc/24/18/79/355241879.db2.gz GGZUVLIWJOCGFR-UHFFFAOYSA-N 1 2 244.338 1.871 20 0 BDADLO CCCc1nc(C[N@H+](C)CCCCOC)no1 ZINC000412971742 191344853 /nfs/dbraw/zinc/34/48/53/191344853.db2.gz QCLCQZPUAZKBRS-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCc1nc(C[N@@H+](C)CCCCOC)no1 ZINC000412971742 191344855 /nfs/dbraw/zinc/34/48/55/191344855.db2.gz QCLCQZPUAZKBRS-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCC[C@@H](C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639234560 355218745 /nfs/dbraw/zinc/21/87/45/355218745.db2.gz KLJHBWLLERWJON-ZJUUUORDSA-N 1 2 239.306 1.749 20 0 BDADLO CCC[C@@H](C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639234560 355218749 /nfs/dbraw/zinc/21/87/49/355218749.db2.gz KLJHBWLLERWJON-ZJUUUORDSA-N 1 2 239.306 1.749 20 0 BDADLO COCC[C@@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000413487489 191388142 /nfs/dbraw/zinc/38/81/42/191388142.db2.gz CLDHYOMBVOWNMC-SECBINFHSA-N 1 2 248.330 1.773 20 0 BDADLO CCC[C@@H](O)[C@@H](CO)Nc1cccc[nH+]1 ZINC000413497553 191390255 /nfs/dbraw/zinc/39/02/55/191390255.db2.gz TWSHHKOIEZQNQT-NXEZZACHSA-N 1 2 210.277 1.015 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@H](O)C(C)C ZINC000413532668 191392616 /nfs/dbraw/zinc/39/26/16/191392616.db2.gz BANHZSDBNGITAU-CMPLNLGQSA-N 1 2 223.320 1.992 20 0 BDADLO Cc1cc(N2CCC[C@H](CO)[C@@H]2C)nc[nH+]1 ZINC000413587381 191398127 /nfs/dbraw/zinc/39/81/27/191398127.db2.gz FLPWPDMRMHPNNO-WDEREUQCSA-N 1 2 221.304 1.382 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H](O)C(C)C ZINC000413542312 191395242 /nfs/dbraw/zinc/39/52/42/191395242.db2.gz NQMLGJRWYGUZMH-YPMHNXCESA-N 1 2 249.358 1.983 20 0 BDADLO C[C@H]1CC(C)(C)CN1c1[nH+]cnc2c1cnn2C ZINC000413556954 191396934 /nfs/dbraw/zinc/39/69/34/191396934.db2.gz FJZSPIFQMBSQBD-VIFPVBQESA-N 1 2 245.330 1.988 20 0 BDADLO Cn1cnnc1C[N@H+](C)CC[C@H]1CCCCO1 ZINC000347666160 355256757 /nfs/dbraw/zinc/25/67/57/355256757.db2.gz GRSKHXJBVNJKMP-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CC[C@H]1CCCCO1 ZINC000347666160 355256760 /nfs/dbraw/zinc/25/67/60/355256760.db2.gz GRSKHXJBVNJKMP-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1cnc(NCCc2cn(C)c[nH+]2)s1 ZINC000413376654 191376598 /nfs/dbraw/zinc/37/65/98/191376598.db2.gz BVIAGQAEECFWNB-UHFFFAOYSA-N 1 2 222.317 1.262 20 0 BDADLO CC(=O)c1ccc(NCCc2cn(C)c[nH+]2)nc1 ZINC000413388507 191377802 /nfs/dbraw/zinc/37/78/02/191377802.db2.gz ZHPZEJUSPKPITR-UHFFFAOYSA-N 1 2 244.298 1.094 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@]2(C)C(C)C)[nH+]1 ZINC000413428418 191379714 /nfs/dbraw/zinc/37/97/14/191379714.db2.gz BKIITYZEQOHJSS-GXFFZTMASA-N 1 2 249.362 1.514 20 0 BDADLO Cc1nc(N[C@H]2C[C@]2(C)C(C)C)nc(N(C)C)[nH+]1 ZINC000413428418 191379716 /nfs/dbraw/zinc/37/97/16/191379716.db2.gz BKIITYZEQOHJSS-GXFFZTMASA-N 1 2 249.362 1.514 20 0 BDADLO COCCC1(C)C[NH+](Cc2ncc(C)o2)C1 ZINC000639255658 355296289 /nfs/dbraw/zinc/29/62/89/355296289.db2.gz WEFRIHLSXDWEJZ-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO CCOC1(C)CN([C@@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639263729 355318071 /nfs/dbraw/zinc/31/80/71/355318071.db2.gz FGYTWIUYCZNKEZ-GFCCVEGCSA-N 1 2 249.358 1.982 20 0 BDADLO CCC1C[NH+](Cc2ncnn2C(C)C)C1 ZINC000639248210 355277713 /nfs/dbraw/zinc/27/77/13/355277713.db2.gz DUIGGQRHMMDGNU-UHFFFAOYSA-N 1 2 208.309 1.701 20 0 BDADLO CCOC1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000639249469 355278354 /nfs/dbraw/zinc/27/83/54/355278354.db2.gz CVGDLWFUEMBBIW-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO O=c1ccc(C[NH+]2CC(OCC(F)F)C2)c[nH]1 ZINC000639251088 355283535 /nfs/dbraw/zinc/28/35/35/355283535.db2.gz HKQCWEHEYGVUDF-UHFFFAOYSA-N 1 2 244.241 1.253 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC(C)(C)C ZINC000349241430 355374261 /nfs/dbraw/zinc/37/42/61/355374261.db2.gz NFNYXWFUFKZLQQ-IUCAKERBSA-N 1 2 239.319 1.628 20 0 BDADLO Cc1ccc(CNc2ccc(N(C)C)c[nH+]2)nn1 ZINC000414355118 191496819 /nfs/dbraw/zinc/49/68/19/191496819.db2.gz AMOKLLDELCRFRY-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)C(F)F ZINC000349744218 355421333 /nfs/dbraw/zinc/42/13/33/355421333.db2.gz MDQOELPIDZHQBM-UHFFFAOYSA-N 1 2 231.246 1.659 20 0 BDADLO O[C@@H](C[NH+]1CC(F)C1)C1CCCCC1 ZINC000335781220 355428348 /nfs/dbraw/zinc/42/83/48/355428348.db2.gz USJBKZSXFQDWKZ-NSHDSACASA-N 1 2 201.285 1.581 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335791972 355444377 /nfs/dbraw/zinc/44/43/77/355444377.db2.gz WHLBXUUEQHGFMK-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C1CC(O)C1 ZINC000335793340 355446719 /nfs/dbraw/zinc/44/67/19/355446719.db2.gz KYFNONUJKRSUHU-UHFFFAOYSA-N 1 2 249.314 1.685 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)nc1 ZINC000335800580 355493801 /nfs/dbraw/zinc/49/38/01/355493801.db2.gz QOIVPLXERYOTCG-PWSUYJOCSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)nc1 ZINC000335800580 355493803 /nfs/dbraw/zinc/49/38/03/355493803.db2.gz QOIVPLXERYOTCG-PWSUYJOCSA-N 1 2 224.279 1.295 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(O)c1 ZINC000349946799 355533504 /nfs/dbraw/zinc/53/35/04/355533504.db2.gz DDVXBHNAMSUXAV-UHFFFAOYSA-N 1 2 245.282 1.697 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)N(C)c1nccs1 ZINC000335824942 355547873 /nfs/dbraw/zinc/54/78/73/355547873.db2.gz UFROXHZTZBHSDG-IUCAKERBSA-N 1 2 239.344 1.589 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cc(C)n(C)n1 ZINC000335817205 355507744 /nfs/dbraw/zinc/50/77/44/355507744.db2.gz WYTBCKYHYWLQSQ-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO C[NH2+]Cc1noc([C@H](C)COc2ccccc2)n1 ZINC000349913026 355524751 /nfs/dbraw/zinc/52/47/51/355524751.db2.gz QHUPVUKKHCFWED-SNVBAGLBSA-N 1 2 247.298 1.972 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCCO)s1 ZINC000349920218 355527618 /nfs/dbraw/zinc/52/76/18/355527618.db2.gz JMRMSNNWUJYHSH-UHFFFAOYSA-N 1 2 215.322 1.051 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCCO)s1 ZINC000349920218 355527622 /nfs/dbraw/zinc/52/76/22/355527622.db2.gz JMRMSNNWUJYHSH-UHFFFAOYSA-N 1 2 215.322 1.051 20 0 BDADLO COCCC[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000349993816 355571578 /nfs/dbraw/zinc/57/15/78/355571578.db2.gz LVGNLUDNCKMNKW-VIFPVBQESA-N 1 2 225.292 1.089 20 0 BDADLO COCCC[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000349993816 355571581 /nfs/dbraw/zinc/57/15/81/355571581.db2.gz LVGNLUDNCKMNKW-VIFPVBQESA-N 1 2 225.292 1.089 20 0 BDADLO CCn1cc(C[NH2+]Cc2cccc(F)c2N)nn1 ZINC000639308578 355663639 /nfs/dbraw/zinc/66/36/39/355663639.db2.gz DXCBFUYKGURRHA-UHFFFAOYSA-N 1 2 249.293 1.309 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCNC(=O)CC2)c1 ZINC000639311775 355671890 /nfs/dbraw/zinc/67/18/90/355671890.db2.gz DECGVHOIEFFZLM-NSHDSACASA-N 1 2 249.314 1.309 20 0 BDADLO CO[C@H](C[N@@H+]1Cc2cnn(C)c2C1)C1CCCC1 ZINC000639323173 355715183 /nfs/dbraw/zinc/71/51/83/355715183.db2.gz XQXQMKHIGLQLOY-CQSZACIVSA-N 1 2 249.358 1.941 20 0 BDADLO CO[C@H](C[N@H+]1Cc2cnn(C)c2C1)C1CCCC1 ZINC000639323173 355715186 /nfs/dbraw/zinc/71/51/86/355715186.db2.gz XQXQMKHIGLQLOY-CQSZACIVSA-N 1 2 249.358 1.941 20 0 BDADLO COc1cc(C[NH2+]Cc2cncs2)on1 ZINC000639323980 355718352 /nfs/dbraw/zinc/71/83/52/355718352.db2.gz IAZFMHHUPXCMMO-UHFFFAOYSA-N 1 2 225.273 1.430 20 0 BDADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ncccn1 ZINC000330131240 181205497 /nfs/dbraw/zinc/20/54/97/181205497.db2.gz PNMZWFSICBBKNM-UMNHJUIQSA-N 1 2 246.314 1.612 20 0 BDADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ncccn1 ZINC000330131240 181205498 /nfs/dbraw/zinc/20/54/98/181205498.db2.gz PNMZWFSICBBKNM-UMNHJUIQSA-N 1 2 246.314 1.612 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CCOCC1 ZINC000335892362 355685134 /nfs/dbraw/zinc/68/51/34/355685134.db2.gz UERHSCISBZYPBP-UHFFFAOYSA-N 1 2 235.262 1.549 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1CCOC1 ZINC000350700289 355743628 /nfs/dbraw/zinc/74/36/28/355743628.db2.gz MLFZUNLTQGTKSK-VIFPVBQESA-N 1 2 223.263 1.236 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCOC1 ZINC000350700289 355743629 /nfs/dbraw/zinc/74/36/29/355743629.db2.gz MLFZUNLTQGTKSK-VIFPVBQESA-N 1 2 223.263 1.236 20 0 BDADLO Cc1cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)on1 ZINC000336010867 134051098 /nfs/dbraw/zinc/05/10/98/134051098.db2.gz DIYQQRIJLBGBQV-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)on1 ZINC000336010867 134051099 /nfs/dbraw/zinc/05/10/99/134051099.db2.gz DIYQQRIJLBGBQV-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000639322703 355724205 /nfs/dbraw/zinc/72/42/05/355724205.db2.gz WFCASIFLLBYENB-NSHDSACASA-N 1 2 226.324 1.062 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000639322703 355724208 /nfs/dbraw/zinc/72/42/08/355724208.db2.gz WFCASIFLLBYENB-NSHDSACASA-N 1 2 226.324 1.062 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(OC)no2)cn1 ZINC000639325422 355727446 /nfs/dbraw/zinc/72/74/46/355727446.db2.gz XNCKCNCIUFCOMB-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO CC(C)(C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022429 134056095 /nfs/dbraw/zinc/05/60/95/134056095.db2.gz UGVSIFKMKFAYPX-MRVPVSSYSA-N 1 2 236.319 1.365 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425416791 191847705 /nfs/dbraw/zinc/84/77/05/191847705.db2.gz HDYIYAKJNZVPTC-ZCFIWIBFSA-N 1 2 233.218 1.228 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425416791 191847708 /nfs/dbraw/zinc/84/77/08/191847708.db2.gz HDYIYAKJNZVPTC-ZCFIWIBFSA-N 1 2 233.218 1.228 20 0 BDADLO c1[nH]nnc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000639341637 355783782 /nfs/dbraw/zinc/78/37/82/355783782.db2.gz MZEDOKGBWNAQDS-NSHDSACASA-N 1 2 242.326 1.699 20 0 BDADLO c1n[nH]nc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000639341637 355783783 /nfs/dbraw/zinc/78/37/83/355783783.db2.gz MZEDOKGBWNAQDS-NSHDSACASA-N 1 2 242.326 1.699 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000639363577 355823333 /nfs/dbraw/zinc/82/33/33/355823333.db2.gz RBEWVSHOGNSIMG-ZJUUUORDSA-N 1 2 223.320 1.983 20 0 BDADLO CNC(=O)CCSCc1ccc[nH+]c1N ZINC000399196834 355837392 /nfs/dbraw/zinc/83/73/92/355837392.db2.gz LZPNCNYTUZJANT-UHFFFAOYSA-N 1 2 225.317 1.033 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCCF ZINC000309033667 355839905 /nfs/dbraw/zinc/83/99/05/355839905.db2.gz GRZFMIPDZQJBOO-JTQLQIEISA-N 1 2 219.300 1.913 20 0 BDADLO CC(C)[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363556 355848306 /nfs/dbraw/zinc/84/83/06/355848306.db2.gz OFBKIMXYFNXWFG-PSASIEDQSA-N 1 2 226.349 1.424 20 0 BDADLO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363556 355848308 /nfs/dbraw/zinc/84/83/08/355848308.db2.gz OFBKIMXYFNXWFG-PSASIEDQSA-N 1 2 226.349 1.424 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1=CCCC1 ZINC000336054054 134065483 /nfs/dbraw/zinc/06/54/83/134065483.db2.gz IISQPSCXNRYJBZ-UHFFFAOYSA-N 1 2 205.261 1.147 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cc1noc(CCOC)n1 ZINC000351491353 356000149 /nfs/dbraw/zinc/00/01/49/356000149.db2.gz JPJJFIVTYUFYRM-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cc1noc(CCOC)n1 ZINC000351491353 356000153 /nfs/dbraw/zinc/00/01/53/356000153.db2.gz JPJJFIVTYUFYRM-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCC[C@H](F)C2)C1 ZINC000583640746 355947218 /nfs/dbraw/zinc/94/72/18/355947218.db2.gz UMBOQFMZGGRYHU-JTQLQIEISA-N 1 2 228.311 1.289 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257022 356025444 /nfs/dbraw/zinc/02/54/44/356025444.db2.gz ADYDFZDGYKHPGQ-NTZNESFSSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccon2)n1 ZINC000351595596 356025902 /nfs/dbraw/zinc/02/59/02/356025902.db2.gz RMDCQPZVZUDBQC-SECBINFHSA-N 1 2 233.271 1.934 20 0 BDADLO Fc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000351613490 356028296 /nfs/dbraw/zinc/02/82/96/356028296.db2.gz AGFMNPSKIUPYDE-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO Fc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000351613490 356028300 /nfs/dbraw/zinc/02/83/00/356028300.db2.gz AGFMNPSKIUPYDE-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO NC(=O)C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000367927839 181243625 /nfs/dbraw/zinc/24/36/25/181243625.db2.gz PLLWIFUSBWCWEN-VIFPVBQESA-N 1 2 244.298 1.265 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260918 356124252 /nfs/dbraw/zinc/12/42/52/356124252.db2.gz VAXIQPIQAHZFEQ-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341467326 181244579 /nfs/dbraw/zinc/24/45/79/181244579.db2.gz VCUIWUYLJLXAKX-SNVBAGLBSA-N 1 2 215.256 1.417 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2noc(C)n2)C[C@H]1O ZINC000351713036 356067218 /nfs/dbraw/zinc/06/72/18/356067218.db2.gz RRPUCWHYQPVSOF-SZEHBUNVSA-N 1 2 225.292 1.142 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2noc(C)n2)C[C@H]1O ZINC000351713036 356067221 /nfs/dbraw/zinc/06/72/21/356067221.db2.gz RRPUCWHYQPVSOF-SZEHBUNVSA-N 1 2 225.292 1.142 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(F)c1F ZINC000335916685 356159371 /nfs/dbraw/zinc/15/93/71/356159371.db2.gz AXIVHZGUSGMPCM-UWVGGRQHSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(F)c1F ZINC000335916685 356159374 /nfs/dbraw/zinc/15/93/74/356159374.db2.gz AXIVHZGUSGMPCM-UWVGGRQHSA-N 1 2 245.244 1.870 20 0 BDADLO C[C@@H]1C[NH+](Cc2ncccn2)C[C@@H](C)S1 ZINC000336086179 134076586 /nfs/dbraw/zinc/07/65/86/134076586.db2.gz OAPZJADVRKMXOU-NXEZZACHSA-N 1 2 223.345 1.802 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccnn1C ZINC000335914237 356149025 /nfs/dbraw/zinc/14/90/25/356149025.db2.gz LKQODYNHVRARBX-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccnn1C ZINC000335914237 356149028 /nfs/dbraw/zinc/14/90/28/356149028.db2.gz LKQODYNHVRARBX-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261449 356151808 /nfs/dbraw/zinc/15/18/08/356151808.db2.gz ROFJHACAKISFFC-QKCSRTOESA-N 1 2 247.342 1.606 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(CO)CC1 ZINC000639451022 356235836 /nfs/dbraw/zinc/23/58/36/356235836.db2.gz IGIMRACWINKXQI-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264961 356231252 /nfs/dbraw/zinc/23/12/52/356231252.db2.gz XUQDHAKUNPHJCP-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO NC(=O)N[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000270646218 181260215 /nfs/dbraw/zinc/26/02/15/181260215.db2.gz NZLAKTBHTGPTIA-FXHNIGACSA-N 1 2 238.118 1.048 20 0 BDADLO NC(=O)N[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000270646218 181260217 /nfs/dbraw/zinc/26/02/17/181260217.db2.gz NZLAKTBHTGPTIA-FXHNIGACSA-N 1 2 238.118 1.048 20 0 BDADLO Cc1ncc(CC(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000639463893 356249278 /nfs/dbraw/zinc/24/92/78/356249278.db2.gz QNSCCXFJQQBKHX-UHFFFAOYSA-N 1 2 231.255 1.290 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000336119150 134089386 /nfs/dbraw/zinc/08/93/86/134089386.db2.gz FMQPUVTUPCJESJ-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO C[N@@H+](CC(=O)Nc1ccccn1)C[C@H]1CCCO1 ZINC000639454382 356238840 /nfs/dbraw/zinc/23/88/40/356238840.db2.gz SFOUMNPNTJXKDX-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[N@H+](CC(=O)Nc1ccccn1)C[C@H]1CCCO1 ZINC000639454382 356238842 /nfs/dbraw/zinc/23/88/42/356238842.db2.gz SFOUMNPNTJXKDX-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000336119150 134089387 /nfs/dbraw/zinc/08/93/87/134089387.db2.gz FMQPUVTUPCJESJ-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000617638544 356242191 /nfs/dbraw/zinc/24/21/91/356242191.db2.gz PQVGYNBUINZPPI-RYUDHWBXSA-N 1 2 249.358 1.998 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639500790 356327732 /nfs/dbraw/zinc/32/77/32/356327732.db2.gz VDIMJLKNVJYYMA-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639500790 356327733 /nfs/dbraw/zinc/32/77/33/356327733.db2.gz VDIMJLKNVJYYMA-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[N@H+](Cc1nc(C2CCC2)no1)CC(C)(C)O ZINC000639488900 356305408 /nfs/dbraw/zinc/30/54/08/356305408.db2.gz FCVVZXRLSVHYIY-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[N@@H+](Cc1nc(C2CCC2)no1)CC(C)(C)O ZINC000639488900 356305410 /nfs/dbraw/zinc/30/54/10/356305410.db2.gz FCVVZXRLSVHYIY-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C2CCC2)[C@H](C)CO1 ZINC000617742745 356305440 /nfs/dbraw/zinc/30/54/40/356305440.db2.gz AEKOINGNPNHXBR-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CCC2)[C@H](C)CO1 ZINC000617742745 356305443 /nfs/dbraw/zinc/30/54/43/356305443.db2.gz AEKOINGNPNHXBR-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[N@H+](Cc1nc(CC2CC2)no1)CC(C)(C)O ZINC000639489498 356306843 /nfs/dbraw/zinc/30/68/43/356306843.db2.gz LELSWVOEQWWKKG-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO C[N@@H+](Cc1nc(CC2CC2)no1)CC(C)(C)O ZINC000639489498 356306849 /nfs/dbraw/zinc/30/68/49/356306849.db2.gz LELSWVOEQWWKKG-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO C[N@H+](Cc1nc(CC2CC2)no1)C(C)(C)CO ZINC000639493029 356314685 /nfs/dbraw/zinc/31/46/85/356314685.db2.gz PEJKYHXVWNTCIF-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO C[N@@H+](Cc1nc(CC2CC2)no1)C(C)(C)CO ZINC000639493029 356314686 /nfs/dbraw/zinc/31/46/86/356314686.db2.gz PEJKYHXVWNTCIF-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000336120213 134091064 /nfs/dbraw/zinc/09/10/64/134091064.db2.gz LCUNGMBUVKPYPY-DGCLKSJQSA-N 1 2 247.342 1.601 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000334023544 356337693 /nfs/dbraw/zinc/33/76/93/356337693.db2.gz FLPPHYVJDGBJSX-VHSXEESVSA-N 1 2 248.330 1.622 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000334023544 356337697 /nfs/dbraw/zinc/33/76/97/356337697.db2.gz FLPPHYVJDGBJSX-VHSXEESVSA-N 1 2 248.330 1.622 20 0 BDADLO C[C@H]1CCCCN(Cc2noc(C[NH3+])n2)C1 ZINC000420367639 192225936 /nfs/dbraw/zinc/22/59/36/192225936.db2.gz HGXXYCAJGUYZBR-VIFPVBQESA-N 1 2 224.308 1.150 20 0 BDADLO CCCCS(=O)(=O)N1CC[NH+](CC)C[C@@H]1C ZINC000352602875 356388779 /nfs/dbraw/zinc/38/87/79/356388779.db2.gz DHXAZSQORABZQA-NSHDSACASA-N 1 2 248.392 1.142 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639547317 356411103 /nfs/dbraw/zinc/41/11/03/356411103.db2.gz SJJRSRQUJRLPOM-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639547317 356411105 /nfs/dbraw/zinc/41/11/05/356411105.db2.gz SJJRSRQUJRLPOM-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336623557 356411246 /nfs/dbraw/zinc/41/12/46/356411246.db2.gz VPALOMJPMJEBRL-JTQLQIEISA-N 1 2 235.331 1.944 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(O)(COC)CC1 ZINC000639549408 356415333 /nfs/dbraw/zinc/41/53/33/356415333.db2.gz RPEMIOYWRDJLCJ-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278153 356425768 /nfs/dbraw/zinc/42/57/68/356425768.db2.gz NNVLHCDPJNGOMH-VIFPVBQESA-N 1 2 231.255 1.139 20 0 BDADLO O=C(CCc1ccco1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278943 356428150 /nfs/dbraw/zinc/42/81/50/356428150.db2.gz IDGMXBCESWGWIK-SNVBAGLBSA-N 1 2 245.282 1.150 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cnc[nH]1 ZINC000362618612 181274160 /nfs/dbraw/zinc/27/41/60/181274160.db2.gz ZBPLLEJNSUUFCW-JLLWLGSASA-N 1 2 248.330 1.028 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cnc[nH]1 ZINC000362618612 181274164 /nfs/dbraw/zinc/27/41/64/181274164.db2.gz ZBPLLEJNSUUFCW-JLLWLGSASA-N 1 2 248.330 1.028 20 0 BDADLO CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000420618121 192249008 /nfs/dbraw/zinc/24/90/08/192249008.db2.gz CDZJUBISNBECAR-GFCCVEGCSA-N 1 2 248.330 1.117 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CCCCC1 ZINC000623282126 356465448 /nfs/dbraw/zinc/46/54/48/356465448.db2.gz NIYWEXIRUIFZEA-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)s1 ZINC000623282165 356466385 /nfs/dbraw/zinc/46/63/85/356466385.db2.gz OGICAHQYNYPJFI-SECBINFHSA-N 1 2 247.323 1.608 20 0 BDADLO O=C(CCC1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623282347 356467792 /nfs/dbraw/zinc/46/77/92/356467792.db2.gz UNAASZOCVPPWRL-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO CCc1nc(N2CC[C@]23CCOC3)cc(C)[nH+]1 ZINC000420649146 192254884 /nfs/dbraw/zinc/25/48/84/192254884.db2.gz ZWBWDWPHPORGKV-CYBMUJFWSA-N 1 2 233.315 1.717 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336165556 134113004 /nfs/dbraw/zinc/11/30/04/134113004.db2.gz FZWFKDJHZCSNRD-ZYHUDNBSSA-N 1 2 247.342 1.702 20 0 BDADLO CCC(=O)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000583668523 356492374 /nfs/dbraw/zinc/49/23/74/356492374.db2.gz CFWYZKVYKFLEKH-LLVKDONJSA-N 1 2 249.314 1.243 20 0 BDADLO CC(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000639580160 356500951 /nfs/dbraw/zinc/50/09/51/356500951.db2.gz BLSXNFHDNFSMPD-SNVBAGLBSA-N 1 2 236.319 1.244 20 0 BDADLO CC[N@H+](CCOC)Cc1nn(C)cc1Cl ZINC000420898715 192268922 /nfs/dbraw/zinc/26/89/22/192268922.db2.gz DFCTXBTUOFGSMO-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CC[N@@H+](CCOC)Cc1nn(C)cc1Cl ZINC000420898715 192268923 /nfs/dbraw/zinc/26/89/23/192268923.db2.gz DFCTXBTUOFGSMO-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CC(C)[N@@H+](Cc1nn(C)cc1Cl)C[C@@H](C)O ZINC000420905384 192270772 /nfs/dbraw/zinc/27/07/72/192270772.db2.gz CUXLPHIUKLNKIJ-SECBINFHSA-N 1 2 245.754 1.665 20 0 BDADLO CC(C)[N@H+](Cc1nn(C)cc1Cl)C[C@@H](C)O ZINC000420905384 192270774 /nfs/dbraw/zinc/27/07/74/192270774.db2.gz CUXLPHIUKLNKIJ-SECBINFHSA-N 1 2 245.754 1.665 20 0 BDADLO CC[C@@H](C(=O)OC)[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420951008 192278027 /nfs/dbraw/zinc/27/80/27/192278027.db2.gz GVELJEYYFGSTIC-UTUOFQBUSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](CC)O1 ZINC000420955450 192278919 /nfs/dbraw/zinc/27/89/19/192278919.db2.gz LPOFGECPWXDTMG-VXGBXAGGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[NH+](Cc2nccn2C)C[C@@H](CC)O1 ZINC000420955450 192278922 /nfs/dbraw/zinc/27/89/22/192278922.db2.gz LPOFGECPWXDTMG-VXGBXAGGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H](CC)O1 ZINC000420957210 192280378 /nfs/dbraw/zinc/28/03/78/192280378.db2.gz ODWXBVHCQSLJAW-TXEJJXNPSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H](CC)O1 ZINC000420957210 192280381 /nfs/dbraw/zinc/28/03/81/192280381.db2.gz ODWXBVHCQSLJAW-TXEJJXNPSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@H](C3CCCC3)C2)n1 ZINC000420967029 192284304 /nfs/dbraw/zinc/28/43/04/192284304.db2.gz XERCDCLSMSDTPX-NSHDSACASA-N 1 2 235.335 1.222 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@H](C3CCCC3)C2)n1 ZINC000420967029 192284306 /nfs/dbraw/zinc/28/43/06/192284306.db2.gz XERCDCLSMSDTPX-NSHDSACASA-N 1 2 235.335 1.222 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@](O)(CC)C1 ZINC000639597376 356515833 /nfs/dbraw/zinc/51/58/33/356515833.db2.gz FCYJMPUUJCHNMN-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@](O)(CC)C1 ZINC000639597376 356515836 /nfs/dbraw/zinc/51/58/36/356515836.db2.gz FCYJMPUUJCHNMN-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1ccccn1 ZINC000639618490 356536276 /nfs/dbraw/zinc/53/62/76/356536276.db2.gz MWOBSNGWCZYKKA-AOOOYVTPSA-N 1 2 219.288 1.503 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1ccccn1 ZINC000639618490 356536279 /nfs/dbraw/zinc/53/62/79/356536279.db2.gz MWOBSNGWCZYKKA-AOOOYVTPSA-N 1 2 219.288 1.503 20 0 BDADLO CC[C@H]([NH2+]Cc1ncc(Cl)s1)C(=O)NC ZINC000449777064 202030975 /nfs/dbraw/zinc/03/09/75/202030975.db2.gz PRSTVKJLTHLLEP-LURJTMIESA-N 1 2 247.751 1.411 20 0 BDADLO C[C@@H]1C[C@H]1Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000350424294 366277343 /nfs/dbraw/zinc/27/73/43/366277343.db2.gz PVSXRTBSZWSKJN-BDAKNGLRSA-N 1 2 232.287 1.592 20 0 BDADLO CCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296455 356542484 /nfs/dbraw/zinc/54/24/84/356542484.db2.gz JJUOQJMXTFRIAC-SNVBAGLBSA-N 1 2 221.304 1.504 20 0 BDADLO CO[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000350461470 366280995 /nfs/dbraw/zinc/28/09/95/366280995.db2.gz WAOWFSYXAMTGMK-LLVKDONJSA-N 1 2 239.319 1.050 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000449784935 202036219 /nfs/dbraw/zinc/03/62/19/202036219.db2.gz CWOUSIQRELQGHA-LBPRGKRZSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000449784935 202036222 /nfs/dbraw/zinc/03/62/22/202036222.db2.gz CWOUSIQRELQGHA-LBPRGKRZSA-N 1 2 238.331 1.086 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623298113 356550821 /nfs/dbraw/zinc/55/08/21/356550821.db2.gz VRPWROSHVCWMFP-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623298901 356555408 /nfs/dbraw/zinc/55/54/08/356555408.db2.gz MALCOCBLJAMZEZ-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000449847914 202044701 /nfs/dbraw/zinc/04/47/01/202044701.db2.gz CMWWWSKSLGXGTM-ZJUUUORDSA-N 1 2 234.299 1.974 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)c1ccccc1F ZINC000639666917 356573376 /nfs/dbraw/zinc/57/33/76/356573376.db2.gz XDYAKDMLRWVOLB-BXKDBHETSA-N 1 2 237.274 1.464 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)c1ccccc1F ZINC000639666917 356573381 /nfs/dbraw/zinc/57/33/81/356573381.db2.gz XDYAKDMLRWVOLB-BXKDBHETSA-N 1 2 237.274 1.464 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C(F)(F)F)CCC2)c[nH+]1 ZINC000336217621 134137832 /nfs/dbraw/zinc/13/78/32/134137832.db2.gz RYYSHAHGLDWRLN-UHFFFAOYSA-N 1 2 247.220 1.933 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000639674790 356591471 /nfs/dbraw/zinc/59/14/71/356591471.db2.gz AGIPQNIFRBSJDU-SNVBAGLBSA-N 1 2 244.289 1.960 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000639674790 356591474 /nfs/dbraw/zinc/59/14/74/356591474.db2.gz AGIPQNIFRBSJDU-SNVBAGLBSA-N 1 2 244.289 1.960 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639677820 356593730 /nfs/dbraw/zinc/59/37/30/356593730.db2.gz KPYQDRYQENSASZ-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639677820 356593732 /nfs/dbraw/zinc/59/37/32/356593732.db2.gz KPYQDRYQENSASZ-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CCOC(=O)[C@H]1[NH2+]CC[C@H]1Nc1ccc(C)cc1 ZINC000422976343 192514615 /nfs/dbraw/zinc/51/46/15/192514615.db2.gz CVYOMYADOHODHL-OLZOCXBDSA-N 1 2 248.326 1.701 20 0 BDADLO CC(C)(C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000422979279 192515849 /nfs/dbraw/zinc/51/58/49/192515849.db2.gz IYLOVTWWKJGSFU-VIFPVBQESA-N 1 2 241.360 1.695 20 0 BDADLO O=C(C[N@@H+]1CCOc2ccccc2C1)N1CCC1 ZINC000613565115 363494492 /nfs/dbraw/zinc/49/44/92/363494492.db2.gz VLNVOWPNTBEWOF-UHFFFAOYSA-N 1 2 246.310 1.113 20 0 BDADLO O=C(C[N@H+]1CCOc2ccccc2C1)N1CCC1 ZINC000613565115 363494496 /nfs/dbraw/zinc/49/44/96/363494496.db2.gz VLNVOWPNTBEWOF-UHFFFAOYSA-N 1 2 246.310 1.113 20 0 BDADLO CC(=O)C[NH2+][C@H](CCO)c1ccccc1F ZINC000639693117 356602178 /nfs/dbraw/zinc/60/21/78/356602178.db2.gz JDSRBZFIMBBIKM-GFCCVEGCSA-N 1 2 225.263 1.428 20 0 BDADLO FC1(F)CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639720084 356618345 /nfs/dbraw/zinc/61/83/45/356618345.db2.gz UMZJUFJTLDNDRV-VIFPVBQESA-N 1 2 242.273 1.497 20 0 BDADLO FC1(F)CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639720084 356618350 /nfs/dbraw/zinc/61/83/50/356618350.db2.gz UMZJUFJTLDNDRV-VIFPVBQESA-N 1 2 242.273 1.497 20 0 BDADLO CC[C@@H](NC(=O)c1nccnc1C)c1[nH]cc[nH+]1 ZINC000613579770 363522985 /nfs/dbraw/zinc/52/29/85/363522985.db2.gz ULBKZBTWSZMEFJ-SECBINFHSA-N 1 2 245.286 1.389 20 0 BDADLO CCc1nocc1C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000613579307 363523063 /nfs/dbraw/zinc/52/30/63/363523063.db2.gz LTTNHETZDYVIDB-SNVBAGLBSA-N 1 2 248.286 1.841 20 0 BDADLO CNc1nc(N[C@@H](C)C2CC2)[nH+]c2ccccc21 ZINC000450239355 202103593 /nfs/dbraw/zinc/10/35/93/202103593.db2.gz AFQCPNVZJNXDDK-VIFPVBQESA-N 1 2 242.326 1.726 20 0 BDADLO CCc1cc(CCC[N@H+](C)CC(=O)OC)on1 ZINC000450234412 202105054 /nfs/dbraw/zinc/10/50/54/202105054.db2.gz RAZXABKGFJHPNS-UHFFFAOYSA-N 1 2 240.303 1.274 20 0 BDADLO CCc1cc(CCC[N@@H+](C)CC(=O)OC)on1 ZINC000450234412 202105058 /nfs/dbraw/zinc/10/50/58/202105058.db2.gz RAZXABKGFJHPNS-UHFFFAOYSA-N 1 2 240.303 1.274 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1csnn1 ZINC000450288378 202122142 /nfs/dbraw/zinc/12/21/42/202122142.db2.gz TYXFMHJWIWNRLG-MRVPVSSYSA-N 1 2 215.322 1.567 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1csnn1 ZINC000450288378 202122144 /nfs/dbraw/zinc/12/21/44/202122144.db2.gz TYXFMHJWIWNRLG-MRVPVSSYSA-N 1 2 215.322 1.567 20 0 BDADLO CCC[C@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC000450341472 202130507 /nfs/dbraw/zinc/13/05/07/202130507.db2.gz KBODVGQUELJDKA-NSHDSACASA-N 1 2 229.320 1.175 20 0 BDADLO CCC[C@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC000450341472 202130510 /nfs/dbraw/zinc/13/05/10/202130510.db2.gz KBODVGQUELJDKA-NSHDSACASA-N 1 2 229.320 1.175 20 0 BDADLO Clc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC000168030402 134155973 /nfs/dbraw/zinc/15/59/73/134155973.db2.gz HTTGJBNSFXFPFX-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)COc1ccccc1 ZINC000041535306 358510962 /nfs/dbraw/zinc/51/09/62/358510962.db2.gz QCCBNPDMQQSLHO-UHFFFAOYSA-N 1 2 245.282 1.115 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000054172162 363564253 /nfs/dbraw/zinc/56/42/53/363564253.db2.gz NANCLGAKSBOMPI-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000054172162 363564255 /nfs/dbraw/zinc/56/42/55/363564255.db2.gz NANCLGAKSBOMPI-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778991 356725761 /nfs/dbraw/zinc/72/57/61/356725761.db2.gz WTRMRFKJMAQDSY-LLVKDONJSA-N 1 2 246.318 1.358 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778991 356725763 /nfs/dbraw/zinc/72/57/63/356725763.db2.gz WTRMRFKJMAQDSY-LLVKDONJSA-N 1 2 246.318 1.358 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)o1 ZINC000639780566 356729991 /nfs/dbraw/zinc/72/99/91/356729991.db2.gz KCKHFFXXNNHLAR-SNVBAGLBSA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)o1 ZINC000639780566 356729993 /nfs/dbraw/zinc/72/99/93/356729993.db2.gz KCKHFFXXNNHLAR-SNVBAGLBSA-N 1 2 247.302 1.692 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccns1 ZINC000639790104 356742706 /nfs/dbraw/zinc/74/27/06/356742706.db2.gz ZKIAPUDFVKOMIS-QMMMGPOBSA-N 1 2 227.333 1.052 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccns1 ZINC000639790104 356742708 /nfs/dbraw/zinc/74/27/08/356742708.db2.gz ZKIAPUDFVKOMIS-QMMMGPOBSA-N 1 2 227.333 1.052 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)C)CC2 ZINC000623340481 356739089 /nfs/dbraw/zinc/73/90/89/356739089.db2.gz JYWGLDDBFLZVSR-JTQLQIEISA-N 1 2 221.304 1.279 20 0 BDADLO CN(Cc1ccns1)Cc1c[nH+]cn1C ZINC000639789609 356743014 /nfs/dbraw/zinc/74/30/14/356743014.db2.gz QXVCWVKTUCUCRL-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+][C@@H](COC)C(=O)OC)C1 ZINC000355053372 356748695 /nfs/dbraw/zinc/74/86/95/356748695.db2.gz OSVPAHLHUIAVPB-WOPDTQHZSA-N 1 2 243.347 1.733 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114124314 356769056 /nfs/dbraw/zinc/76/90/56/356769056.db2.gz MQLFERLOPADVCU-VIFPVBQESA-N 1 2 225.292 1.231 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)Cc1ccns1 ZINC000639805296 356774266 /nfs/dbraw/zinc/77/42/66/356774266.db2.gz BFDALPLIJYOFEI-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CCc1cnc(CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000356122252 356789815 /nfs/dbraw/zinc/78/98/15/356789815.db2.gz YBFFIAVOVJIBLX-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000639839288 356833608 /nfs/dbraw/zinc/83/36/08/356833608.db2.gz QUHUHJZUODBWIP-GFCCVEGCSA-N 1 2 222.288 1.074 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC000639839288 356833612 /nfs/dbraw/zinc/83/36/12/356833612.db2.gz QUHUHJZUODBWIP-GFCCVEGCSA-N 1 2 222.288 1.074 20 0 BDADLO COCC[N@H+](C)Cc1occc1C(=O)OC ZINC000054356195 363568257 /nfs/dbraw/zinc/56/82/57/363568257.db2.gz NUDXWCVLNMHAFQ-UHFFFAOYSA-N 1 2 227.260 1.144 20 0 BDADLO COCC[N@@H+](C)Cc1occc1C(=O)OC ZINC000054356195 363568264 /nfs/dbraw/zinc/56/82/64/363568264.db2.gz NUDXWCVLNMHAFQ-UHFFFAOYSA-N 1 2 227.260 1.144 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000357313920 356824257 /nfs/dbraw/zinc/82/42/57/356824257.db2.gz JFUODOJEXYFGGR-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000357313920 356824260 /nfs/dbraw/zinc/82/42/60/356824260.db2.gz JFUODOJEXYFGGR-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO O=C(C[N@@H+]1CCC2(COC2)C1)c1ccccc1F ZINC000639863052 356871939 /nfs/dbraw/zinc/87/19/39/356871939.db2.gz VPKQMGSBIJFMNX-UHFFFAOYSA-N 1 2 249.285 1.731 20 0 BDADLO O=C(C[N@H+]1CCC2(COC2)C1)c1ccccc1F ZINC000639863052 356871940 /nfs/dbraw/zinc/87/19/40/356871940.db2.gz VPKQMGSBIJFMNX-UHFFFAOYSA-N 1 2 249.285 1.731 20 0 BDADLO Cn1c[nH+]c(CN2CCC[C@H]2c2ncccn2)c1 ZINC000639864342 356875323 /nfs/dbraw/zinc/87/53/23/356875323.db2.gz CKFVHFQOEZUSBP-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CN(Cc1ccoc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000352215741 538719131 /nfs/dbraw/zinc/71/91/31/538719131.db2.gz GCWHUFBSGXDIDB-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CN(Cc1ccoc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000352215741 538719136 /nfs/dbraw/zinc/71/91/36/538719136.db2.gz GCWHUFBSGXDIDB-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@@H](C)OC)[nH]1 ZINC000361567395 356932989 /nfs/dbraw/zinc/93/29/89/356932989.db2.gz WKKBQQSTVXKQCC-SECBINFHSA-N 1 2 226.324 1.224 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@@H](C)OC)[nH]1 ZINC000361567395 356932993 /nfs/dbraw/zinc/93/29/93/356932993.db2.gz WKKBQQSTVXKQCC-SECBINFHSA-N 1 2 226.324 1.224 20 0 BDADLO CC[N@@H+](Cc1nc(C)no1)C[C@@H](C)OC ZINC000361570771 356933536 /nfs/dbraw/zinc/93/35/36/356933536.db2.gz XZUXGRBMDBOUJT-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1nc(C)no1)C[C@@H](C)OC ZINC000361570771 356933539 /nfs/dbraw/zinc/93/35/39/356933539.db2.gz XZUXGRBMDBOUJT-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)[C@@H]1CCOC1 ZINC000361591387 356934774 /nfs/dbraw/zinc/93/47/74/356934774.db2.gz ZJYPSFSDJGUXRZ-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)[C@@H]1CCOC1 ZINC000361591387 356934776 /nfs/dbraw/zinc/93/47/76/356934776.db2.gz ZJYPSFSDJGUXRZ-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000359579676 356891723 /nfs/dbraw/zinc/89/17/23/356891723.db2.gz FEISVWOARFBXLP-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000359579676 356891727 /nfs/dbraw/zinc/89/17/27/356891727.db2.gz FEISVWOARFBXLP-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(F)F ZINC000450569862 202202110 /nfs/dbraw/zinc/20/21/10/202202110.db2.gz VYDYEKOKRICBDN-SSDOTTSWSA-N 1 2 245.277 1.124 20 0 BDADLO CC[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)C(F)F ZINC000450569862 202202112 /nfs/dbraw/zinc/20/21/12/202202112.db2.gz VYDYEKOKRICBDN-SSDOTTSWSA-N 1 2 245.277 1.124 20 0 BDADLO CCN(c1cc(C)[nH+]cn1)[C@@H]1CCOC1 ZINC000359967963 356899029 /nfs/dbraw/zinc/89/90/29/356899029.db2.gz LYFSENRRVWPWHT-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)c(C#N)c[nH+]1 ZINC000399518827 356968543 /nfs/dbraw/zinc/96/85/43/356968543.db2.gz PXTOQTKMFKCQRG-JFGNBEQYSA-N 1 2 231.299 1.661 20 0 BDADLO CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000054375228 363570793 /nfs/dbraw/zinc/57/07/93/363570793.db2.gz BFADLHIUQHHSPC-UHFFFAOYSA-N 1 2 246.314 1.664 20 0 BDADLO CCc1nnc([C@@H](C)N[C@@H](C)c2[nH]cc[nH+]2)[nH]1 ZINC000353627139 538752787 /nfs/dbraw/zinc/75/27/87/538752787.db2.gz YUGFTKJJDCUECO-JGVFFNPUSA-N 1 2 234.307 1.502 20 0 BDADLO CC[C@](C)([NH2+]CCC[C@H](C)O)C(=O)OC ZINC000450659476 202212767 /nfs/dbraw/zinc/21/27/67/202212767.db2.gz QRBYNTJQUCAMFY-ONGXEEELSA-N 1 2 217.309 1.079 20 0 BDADLO CCOCC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000543543577 325092868 /nfs/dbraw/zinc/09/28/68/325092868.db2.gz ARXXKXLXUZYWEY-LBPRGKRZSA-N 1 2 243.347 1.734 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccc(N(C)C)nc2)C[C@@H](C)O1 ZINC000156573048 538789122 /nfs/dbraw/zinc/78/91/22/538789122.db2.gz GVNHCTIWXJTKGF-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO CC(C)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1[nH]cc[nH+]1 ZINC000582365830 357107406 /nfs/dbraw/zinc/10/74/06/357107406.db2.gz NIDOJQJTJKXQMV-BBBLOLIVSA-N 1 2 249.314 1.329 20 0 BDADLO Cc1cccc(C[NH2+][C@H](C)c2ncc[nH]2)n1 ZINC000390593257 357111305 /nfs/dbraw/zinc/11/13/05/357111305.db2.gz ZURMVQIQWOLGCK-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO COC1CC[NH+](Cc2noc(C(C)C)n2)CC1 ZINC000053605463 357075518 /nfs/dbraw/zinc/07/55/18/357075518.db2.gz FTPNAJOXVLVKBY-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC1 ZINC000389981955 357076573 /nfs/dbraw/zinc/07/65/73/357076573.db2.gz KUAWWZNCLVBSMQ-VHSXEESVSA-N 1 2 247.285 1.963 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2CCCOC2)[nH+]1 ZINC000390211407 357085690 /nfs/dbraw/zinc/08/56/90/357085690.db2.gz VLLHABVULBVXMV-SECBINFHSA-N 1 2 239.344 1.716 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(F)cn1 ZINC000354968052 538786996 /nfs/dbraw/zinc/78/69/96/538786996.db2.gz ZOBAHVCWYATKEU-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(F)cn1 ZINC000354968052 538787001 /nfs/dbraw/zinc/78/70/01/538787001.db2.gz ZOBAHVCWYATKEU-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO Cc1cc(C[NH+]2CC(C(F)F)C2)on1 ZINC000585382063 538800231 /nfs/dbraw/zinc/80/02/31/538800231.db2.gz BFVPXPAQWKEVFT-UHFFFAOYSA-N 1 2 202.204 1.680 20 0 BDADLO CCc1nocc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000613655467 363577360 /nfs/dbraw/zinc/57/73/60/363577360.db2.gz MOXCWTQRVWAVCF-UHFFFAOYSA-N 1 2 237.303 1.059 20 0 BDADLO O=C(CCc1ccco1)NCCCn1cc[nH+]c1 ZINC000054455224 363574311 /nfs/dbraw/zinc/57/43/11/363574311.db2.gz LKCMZJFMMVEIKV-UHFFFAOYSA-N 1 2 247.298 1.615 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)C(=O)N1CCCC1 ZINC000156963396 538805736 /nfs/dbraw/zinc/80/57/36/538805736.db2.gz TVXAPLOLQFANMR-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO Cc1cccc(O)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC000356601751 538812452 /nfs/dbraw/zinc/81/24/52/538812452.db2.gz TZXLPKZMGPCHNC-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1cccc(O)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC000356601751 538812459 /nfs/dbraw/zinc/81/24/59/538812459.db2.gz TZXLPKZMGPCHNC-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000639892159 357219064 /nfs/dbraw/zinc/21/90/64/357219064.db2.gz GRDJFHCMKGTDTD-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000639892159 357219068 /nfs/dbraw/zinc/21/90/68/357219068.db2.gz GRDJFHCMKGTDTD-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO OCCC1CC[NH+](Cc2csnn2)CC1 ZINC000393766021 357297180 /nfs/dbraw/zinc/29/71/80/357297180.db2.gz SXFDVTCHTKNHMH-UHFFFAOYSA-N 1 2 227.333 1.133 20 0 BDADLO COCc1cc(C[NH2+]C[C@H]2CCCN2C)no1 ZINC000628422579 357244674 /nfs/dbraw/zinc/24/46/74/357244674.db2.gz ABCLDXNZKCPRQL-LLVKDONJSA-N 1 2 239.319 1.005 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C3CC3)C2)no1 ZINC000378314586 357250768 /nfs/dbraw/zinc/25/07/68/357250768.db2.gz HJSZQRGYLKIILO-JTQLQIEISA-N 1 2 221.304 1.864 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C3CC3)C2)no1 ZINC000378314586 357250771 /nfs/dbraw/zinc/25/07/71/357250771.db2.gz HJSZQRGYLKIILO-JTQLQIEISA-N 1 2 221.304 1.864 20 0 BDADLO CCc1nn(C)cc1C[NH+]1CC2(C1)CCCO2 ZINC000628427345 357256952 /nfs/dbraw/zinc/25/69/52/357256952.db2.gz WBVFXAHIPVPKSR-UHFFFAOYSA-N 1 2 235.331 1.347 20 0 BDADLO c1nn2c(c1C[NH+]1CC3(C1)CCCO3)CCC2 ZINC000628427423 357257387 /nfs/dbraw/zinc/25/73/87/357257387.db2.gz AVADOVQZJIXPQN-UHFFFAOYSA-N 1 2 233.315 1.194 20 0 BDADLO CCc1cnccc1C(=O)NCc1c[nH+]cn1C ZINC000356802292 538818937 /nfs/dbraw/zinc/81/89/37/538818937.db2.gz NVWQBUNCKRUOON-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CCn1cc[nH+]c1CNCC(C)(F)F ZINC000393207385 357279668 /nfs/dbraw/zinc/27/96/68/357279668.db2.gz IPNXYLQHEYMXOV-UHFFFAOYSA-N 1 2 203.236 1.648 20 0 BDADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)C[C@@H]1F ZINC000582721613 357371402 /nfs/dbraw/zinc/37/14/02/357371402.db2.gz VBDNWKYSGVJMLE-GXSJLCMTSA-N 1 2 223.251 1.015 20 0 BDADLO Cc1cc(O)ccc1NC(=O)Cc1c[nH+]cn1C ZINC000582598337 357346882 /nfs/dbraw/zinc/34/68/82/357346882.db2.gz UNOWWDVTURPEKB-UHFFFAOYSA-N 1 2 245.282 1.615 20 0 BDADLO CCn1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000582614261 357353309 /nfs/dbraw/zinc/35/33/09/357353309.db2.gz LOCLOUJPQHXGIE-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO CCn1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000582614261 357353312 /nfs/dbraw/zinc/35/33/12/357353312.db2.gz LOCLOUJPQHXGIE-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCO[C@@H]1CCCCO1)C2 ZINC000582841950 357413801 /nfs/dbraw/zinc/41/38/01/357413801.db2.gz AFEDQIHVASKZJI-CQSZACIVSA-N 1 2 248.326 1.940 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCO[C@@H]1CCCCO1)C2 ZINC000582841950 357413803 /nfs/dbraw/zinc/41/38/03/357413803.db2.gz AFEDQIHVASKZJI-CQSZACIVSA-N 1 2 248.326 1.940 20 0 BDADLO CNc1ccc(Nc2nc(C)ncc2C)c[nH+]1 ZINC000582876220 357417828 /nfs/dbraw/zinc/41/78/28/357417828.db2.gz JCONXKNQSKSAIQ-UHFFFAOYSA-N 1 2 229.287 1.696 20 0 BDADLO O=C1C[N@H+](CCCF)Cc2ccccc2N1 ZINC000582854375 357420505 /nfs/dbraw/zinc/42/05/05/357420505.db2.gz NEAFEZAQEMZLAP-UHFFFAOYSA-N 1 2 222.263 1.800 20 0 BDADLO O=C1C[N@@H+](CCCF)Cc2ccccc2N1 ZINC000582854375 357420511 /nfs/dbraw/zinc/42/05/11/357420511.db2.gz NEAFEZAQEMZLAP-UHFFFAOYSA-N 1 2 222.263 1.800 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCC(=O)C1)Cn1cc[nH+]c1 ZINC000582906864 357424140 /nfs/dbraw/zinc/42/41/40/357424140.db2.gz NAOJFTVGEQKPFD-MNOVXSKESA-N 1 2 249.314 1.005 20 0 BDADLO Cc1cc(N2CCC[C@](C)(O)CC2)nc[nH+]1 ZINC000230373365 357530554 /nfs/dbraw/zinc/53/05/54/357530554.db2.gz WYZNFWANQNHKKY-LBPRGKRZSA-N 1 2 221.304 1.526 20 0 BDADLO CSCC[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000583213056 357554134 /nfs/dbraw/zinc/55/41/34/357554134.db2.gz YJJOCKZIGLSLSC-UHFFFAOYSA-N 1 2 228.317 1.672 20 0 BDADLO CSCC[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000583213056 357554137 /nfs/dbraw/zinc/55/41/37/357554137.db2.gz YJJOCKZIGLSLSC-UHFFFAOYSA-N 1 2 228.317 1.672 20 0 BDADLO CCOC[C@H]([NH2+][C@H](C(=O)OC)C1CC1)C(C)C ZINC000232350547 357659569 /nfs/dbraw/zinc/65/95/69/357659569.db2.gz ZUAYAEFISOAVFO-RYUDHWBXSA-N 1 2 243.347 1.589 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OC ZINC000190578827 357716087 /nfs/dbraw/zinc/71/60/87/357716087.db2.gz CNWCHMOVCREJPY-LOWVWBTDSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccs1 ZINC000190084492 357683397 /nfs/dbraw/zinc/68/33/97/357683397.db2.gz BOSDRYYLIZBMFP-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccs1 ZINC000190084492 357683401 /nfs/dbraw/zinc/68/34/01/357683401.db2.gz BOSDRYYLIZBMFP-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO CC[C@H](C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000191083064 357748160 /nfs/dbraw/zinc/74/81/60/357748160.db2.gz JTBDVNVURUPDDK-LBPRGKRZSA-N 1 2 242.363 1.213 20 0 BDADLO CCc1occc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000234177354 357776413 /nfs/dbraw/zinc/77/64/13/357776413.db2.gz RPLYVEYLPJPTLB-UHFFFAOYSA-N 1 2 233.271 1.837 20 0 BDADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000191203665 357758145 /nfs/dbraw/zinc/75/81/45/357758145.db2.gz NYWIVNOZUSFINU-GFCCVEGCSA-N 1 2 249.358 1.758 20 0 BDADLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000191203665 357758149 /nfs/dbraw/zinc/75/81/49/357758149.db2.gz NYWIVNOZUSFINU-GFCCVEGCSA-N 1 2 249.358 1.758 20 0 BDADLO CCN(C)c1ccc(CNc2ccn(C)n2)c[nH+]1 ZINC000191310538 357765170 /nfs/dbraw/zinc/76/51/70/357765170.db2.gz XIYWKEPIJGJJFH-UHFFFAOYSA-N 1 2 245.330 1.883 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)OC ZINC000234044002 357769321 /nfs/dbraw/zinc/76/93/21/357769321.db2.gz FSFYVVPTBAHWMM-GARJFASQSA-N 1 2 227.304 1.095 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCC(C)(C)CC1)[C@@H](C)O ZINC000191966061 357807066 /nfs/dbraw/zinc/80/70/66/357807066.db2.gz QSRSMDHLGVYVJT-MWLCHTKSSA-N 1 2 243.347 1.467 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000192070975 357817253 /nfs/dbraw/zinc/81/72/53/357817253.db2.gz RGVHRLWNWLMHEG-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000192070975 357817254 /nfs/dbraw/zinc/81/72/54/357817254.db2.gz RGVHRLWNWLMHEG-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccnn1C ZINC000235210972 357857486 /nfs/dbraw/zinc/85/74/86/357857486.db2.gz DZRNUHWZPNMEOP-SECBINFHSA-N 1 2 219.292 1.004 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nnn(C)n2)cs1 ZINC000398138114 357847637 /nfs/dbraw/zinc/84/76/37/357847637.db2.gz YJQKPXSTXFLQMC-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO CC[C@@]1(C)CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000399383023 357905381 /nfs/dbraw/zinc/90/53/81/357905381.db2.gz GDYMMOVEEXXYSJ-LBPRGKRZSA-N 1 2 236.319 1.694 20 0 BDADLO CC[C@@]1(C)CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000399383023 357905385 /nfs/dbraw/zinc/90/53/85/357905385.db2.gz GDYMMOVEEXXYSJ-LBPRGKRZSA-N 1 2 236.319 1.694 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCC1(C)C ZINC000583764126 357938363 /nfs/dbraw/zinc/93/83/63/357938363.db2.gz YEKNYGUNPCXCJX-QMMMGPOBSA-N 1 2 246.318 1.376 20 0 BDADLO Cc1ccc(NC(=O)N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000639941242 357952695 /nfs/dbraw/zinc/95/26/95/357952695.db2.gz LFLHOZBXLQAMMZ-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000610485403 357957764 /nfs/dbraw/zinc/95/77/64/357957764.db2.gz QWLZOJSBOLECLD-VIFPVBQESA-N 1 2 239.319 1.572 20 0 BDADLO c1cn(CCc2nc(C[C@H]3CCCO3)no2)c[nH+]1 ZINC000349831571 357984676 /nfs/dbraw/zinc/98/46/76/357984676.db2.gz YEUDGPYELBMLHW-SNVBAGLBSA-N 1 2 248.286 1.230 20 0 BDADLO CCOCCC[N@H+](C)Cc1cn[nH]c1C ZINC000639969725 358021904 /nfs/dbraw/zinc/02/19/04/358021904.db2.gz CVHGIJNFEKVDIU-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CCOCCC[N@@H+](C)Cc1cn[nH]c1C ZINC000639969725 358021905 /nfs/dbraw/zinc/02/19/05/358021905.db2.gz CVHGIJNFEKVDIU-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000639970952 358024580 /nfs/dbraw/zinc/02/45/80/358024580.db2.gz LZDMAIDENGSAEU-BXKDBHETSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000639970952 358024582 /nfs/dbraw/zinc/02/45/82/358024582.db2.gz LZDMAIDENGSAEU-BXKDBHETSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nccc(NC(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000639980496 358025569 /nfs/dbraw/zinc/02/55/69/358025569.db2.gz OVCCLSIYXJBVNP-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCO[C@H]1CC1(F)F ZINC000639972513 358031582 /nfs/dbraw/zinc/03/15/82/358031582.db2.gz UHTZEGUFARNKCS-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000639972513 358031588 /nfs/dbraw/zinc/03/15/88/358031588.db2.gz UHTZEGUFARNKCS-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2nccc(N)n2)s1 ZINC000639995862 358033867 /nfs/dbraw/zinc/03/38/67/358033867.db2.gz RUWFYUYDIHJCNK-ZETCQYMHSA-N 1 2 249.343 1.505 20 0 BDADLO CC[N@@H+](Cc1csc(COC)n1)C[C@H](C)O ZINC000352210482 535388622 /nfs/dbraw/zinc/38/86/22/535388622.db2.gz GJARLYMFNGMITC-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO CC[N@H+](Cc1csc(COC)n1)C[C@H](C)O ZINC000352210482 535388628 /nfs/dbraw/zinc/38/86/28/535388628.db2.gz GJARLYMFNGMITC-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cccnc1 ZINC000051921174 358101261 /nfs/dbraw/zinc/10/12/61/358101261.db2.gz WHCQDXHEOKKSDD-UHFFFAOYSA-N 1 2 216.288 1.588 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000170769002 134253296 /nfs/dbraw/zinc/25/32/96/134253296.db2.gz NVLWPYPKIMGPMF-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@H](C)C2)o1 ZINC000170769002 134253297 /nfs/dbraw/zinc/25/32/97/134253297.db2.gz NVLWPYPKIMGPMF-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccccn2)[nH]1 ZINC000584696640 358154127 /nfs/dbraw/zinc/15/41/27/358154127.db2.gz FIXCMTANQUIVKX-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccccn2)[nH]1 ZINC000584696640 358154130 /nfs/dbraw/zinc/15/41/30/358154130.db2.gz FIXCMTANQUIVKX-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nc(C[NH+]2CCC(C)(F)CC2)no1 ZINC000640071112 358155451 /nfs/dbraw/zinc/15/54/51/358155451.db2.gz XCVPPPACVFVHEB-UHFFFAOYSA-N 1 2 213.256 1.702 20 0 BDADLO Cn1cnnc1C[NH+]1CCC(C)(F)CC1 ZINC000640071418 358161888 /nfs/dbraw/zinc/16/18/88/358161888.db2.gz MECLDWZHUTVERZ-UHFFFAOYSA-N 1 2 212.272 1.139 20 0 BDADLO C/C=C/CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000623422477 358176785 /nfs/dbraw/zinc/17/67/85/358176785.db2.gz XPSJNGGIJCVUEB-SNAWJCMRSA-N 1 2 248.330 1.523 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000584847825 358201203 /nfs/dbraw/zinc/20/12/03/358201203.db2.gz AKUSMMYWYVRGSE-GVXVVHGQSA-N 1 2 249.358 1.997 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000584847825 358201208 /nfs/dbraw/zinc/20/12/08/358201208.db2.gz AKUSMMYWYVRGSE-GVXVVHGQSA-N 1 2 249.358 1.997 20 0 BDADLO COC[C@H]([NH2+]Cc1ncccc1O)c1ccco1 ZINC000584866757 358207725 /nfs/dbraw/zinc/20/77/25/358207725.db2.gz VHNLNOYMDRORJM-NSHDSACASA-N 1 2 248.282 1.858 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000450634871 202221039 /nfs/dbraw/zinc/22/10/39/202221039.db2.gz IFHRIMLKMGNNQJ-BDAKNGLRSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000450634871 202221042 /nfs/dbraw/zinc/22/10/42/202221042.db2.gz IFHRIMLKMGNNQJ-BDAKNGLRSA-N 1 2 241.360 1.617 20 0 BDADLO COC(=O)CSCc1ccc[nH+]c1N ZINC000052756408 358229720 /nfs/dbraw/zinc/22/97/20/358229720.db2.gz YPAUYLFAZGQMRG-UHFFFAOYSA-N 1 2 212.274 1.070 20 0 BDADLO CC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC000450692530 202234763 /nfs/dbraw/zinc/23/47/63/202234763.db2.gz KSNROSJKRGZBGC-PLNGDYQASA-N 1 2 232.331 1.265 20 0 BDADLO CC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000450692530 202234766 /nfs/dbraw/zinc/23/47/66/202234766.db2.gz KSNROSJKRGZBGC-PLNGDYQASA-N 1 2 232.331 1.265 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](C)[C@@H](C)CO)no1 ZINC000450731782 202249157 /nfs/dbraw/zinc/24/91/57/202249157.db2.gz AOMCPTMVCNYLTH-IUCAKERBSA-N 1 2 227.308 1.129 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@H]2CCC[C@H]2O)nc[nH+]1 ZINC000450713242 202240960 /nfs/dbraw/zinc/24/09/60/202240960.db2.gz WPRUKBUFPFEPIL-JHJVBQTASA-N 1 2 247.342 1.915 20 0 BDADLO CCc1cc(NCC[C@H]2CCOC2)nc[nH+]1 ZINC000230102516 491127746 /nfs/dbraw/zinc/12/77/46/491127746.db2.gz LLEBETUYJSMDBP-JTQLQIEISA-N 1 2 221.304 1.878 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000450762891 202257719 /nfs/dbraw/zinc/25/77/19/202257719.db2.gz OHIOGXFEKDJZJI-GFCCVEGCSA-N 1 2 236.319 1.196 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000450762891 202257723 /nfs/dbraw/zinc/25/77/23/202257723.db2.gz OHIOGXFEKDJZJI-GFCCVEGCSA-N 1 2 236.319 1.196 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2cnc(C3CC3)o2)C1 ZINC000640147679 358358321 /nfs/dbraw/zinc/35/83/21/358358321.db2.gz FKYFFBNPAVLYAD-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CC[C@@H](C)C1 ZINC000230611965 358408395 /nfs/dbraw/zinc/40/83/95/358408395.db2.gz GXMMZZSAQCYNDE-BDAKNGLRSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CC[C@@H](C)C1 ZINC000230611965 358408401 /nfs/dbraw/zinc/40/84/01/358408401.db2.gz GXMMZZSAQCYNDE-BDAKNGLRSA-N 1 2 236.319 1.916 20 0 BDADLO CN(C)C(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640151966 358428048 /nfs/dbraw/zinc/42/80/48/358428048.db2.gz AGNRTLRAZQDFEJ-NSHDSACASA-N 1 2 242.269 1.514 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(F)c1 ZINC000042512011 358525493 /nfs/dbraw/zinc/52/54/93/358525493.db2.gz GIGYEGAGNBKHKF-SNVBAGLBSA-N 1 2 247.273 1.841 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130121941 358611004 /nfs/dbraw/zinc/61/10/04/358611004.db2.gz NQOKUFUSOINYTO-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048016705 358612631 /nfs/dbraw/zinc/61/26/31/358612631.db2.gz MVPWOJPVJDMOGD-UHFFFAOYSA-N 1 2 218.260 1.153 20 0 BDADLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1F ZINC000130553982 358631683 /nfs/dbraw/zinc/63/16/83/358631683.db2.gz PDPWBQLZLOKHRC-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1F ZINC000130553982 358631684 /nfs/dbraw/zinc/63/16/84/358631684.db2.gz PDPWBQLZLOKHRC-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000048577287 358640708 /nfs/dbraw/zinc/64/07/08/358640708.db2.gz SVZBGYWNUQRAOE-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000048577287 358640710 /nfs/dbraw/zinc/64/07/10/358640710.db2.gz SVZBGYWNUQRAOE-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000048579667 358641352 /nfs/dbraw/zinc/64/13/52/358641352.db2.gz BFGDUWOGXZFDNX-LLVKDONJSA-N 1 2 238.718 1.962 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000048579667 358641356 /nfs/dbraw/zinc/64/13/56/358641356.db2.gz BFGDUWOGXZFDNX-LLVKDONJSA-N 1 2 238.718 1.962 20 0 BDADLO CCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000048926923 358661688 /nfs/dbraw/zinc/66/16/88/358661688.db2.gz CBVUCJAHFIPUQG-UHFFFAOYSA-N 1 2 229.283 1.899 20 0 BDADLO CC(C)OCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000049088781 358669589 /nfs/dbraw/zinc/66/95/89/358669589.db2.gz HTUMPEIUKAHIKS-UHFFFAOYSA-N 1 2 247.298 1.376 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnn3ccccc23)n1 ZINC000213187210 358671508 /nfs/dbraw/zinc/67/15/08/358671508.db2.gz SXGDORZTIRRZHH-UHFFFAOYSA-N 1 2 241.298 1.358 20 0 BDADLO CS[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049316026 358682389 /nfs/dbraw/zinc/68/23/89/358682389.db2.gz YLWLPADNGUGZED-MRVPVSSYSA-N 1 2 239.344 1.838 20 0 BDADLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)[nH]1 ZINC000050877885 358738612 /nfs/dbraw/zinc/73/86/12/358738612.db2.gz LQCFBUPNYFCVHL-UHFFFAOYSA-N 1 2 236.315 1.271 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)C(=O)OC ZINC000134970685 358813890 /nfs/dbraw/zinc/81/38/90/358813890.db2.gz MXIJXVHTKXEOMY-RYUDHWBXSA-N 1 2 249.310 1.531 20 0 BDADLO Cc1cnc(NCc2[nH+]ccn2C)s1 ZINC000133974198 358774201 /nfs/dbraw/zinc/77/42/01/358774201.db2.gz PEIRWRGPYSJYRJ-UHFFFAOYSA-N 1 2 208.290 1.797 20 0 BDADLO Cc1cc(F)cc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000134856141 358808495 /nfs/dbraw/zinc/80/84/95/358808495.db2.gz FMNFXVFARPHAMV-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1cc(F)cc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000134856141 358808498 /nfs/dbraw/zinc/80/84/98/358808498.db2.gz FMNFXVFARPHAMV-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135540990 358843206 /nfs/dbraw/zinc/84/32/06/358843206.db2.gz FYMZELBZZKPYOB-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCOCC12CCC2 ZINC000135540990 358843207 /nfs/dbraw/zinc/84/32/07/358843207.db2.gz FYMZELBZZKPYOB-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058781702 358915030 /nfs/dbraw/zinc/91/50/30/358915030.db2.gz ZJCVUICHURMUJA-LLVKDONJSA-N 1 2 236.340 1.262 20 0 BDADLO CC[C@@H](Nc1nccc(OC)n1)c1[nH]cc[nH+]1 ZINC000139823782 358915392 /nfs/dbraw/zinc/91/53/92/358915392.db2.gz OUYCIBPADAJCJR-MRVPVSSYSA-N 1 2 233.275 1.772 20 0 BDADLO Cc1cc(NC[C@@H](C)O)nc(-c2ccncc2)[nH+]1 ZINC000057825035 358907433 /nfs/dbraw/zinc/90/74/33/358907433.db2.gz HPZXAYHGXUIWOI-SNVBAGLBSA-N 1 2 244.298 1.640 20 0 BDADLO CC[C@H](NC(=O)c1cc(C)on1)c1[nH]cc[nH+]1 ZINC000140536766 358922322 /nfs/dbraw/zinc/92/23/22/358922322.db2.gz KSZUNAYEINIPKA-QMMMGPOBSA-N 1 2 234.259 1.587 20 0 BDADLO CC[C@H](NC(=O)c1ccc(F)cn1)c1[nH]cc[nH+]1 ZINC000140571588 358923465 /nfs/dbraw/zinc/92/34/65/358923465.db2.gz MJRBFXLKANFTSL-VIFPVBQESA-N 1 2 248.261 1.825 20 0 BDADLO CC[C@@H](NC(=O)CCn1cccn1)c1[nH]cc[nH+]1 ZINC000140633316 358923898 /nfs/dbraw/zinc/92/38/98/358923898.db2.gz OCRPIGUNZOFVFG-SNVBAGLBSA-N 1 2 247.302 1.264 20 0 BDADLO Cn1c[nH+]cc1CN1OC2CCC1CC2 ZINC000640228033 358939641 /nfs/dbraw/zinc/93/96/41/358939641.db2.gz BNOUKEMGIIJHGW-UHFFFAOYSA-N 1 2 207.277 1.479 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCCO1)CC2 ZINC000626613013 358982805 /nfs/dbraw/zinc/98/28/05/358982805.db2.gz ZHKYZIKZXPDVCU-NSHDSACASA-N 1 2 249.314 1.308 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccccc1F ZINC000070978971 359067682 /nfs/dbraw/zinc/06/76/82/359067682.db2.gz ZVVRQRSGEHKQNP-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000070978924 359067825 /nfs/dbraw/zinc/06/78/25/359067825.db2.gz SZOAGTIPFMHXSF-UHFFFAOYSA-N 1 2 245.282 1.691 20 0 BDADLO CCc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070989915 359069090 /nfs/dbraw/zinc/06/90/90/359069090.db2.gz UVVPOKFOHYKQOL-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(O)c1 ZINC000070979265 359069140 /nfs/dbraw/zinc/06/91/40/359069140.db2.gz HRJBTZIIUZDPJN-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1COc2ccccc21 ZINC000070991447 359069910 /nfs/dbraw/zinc/06/99/10/359069910.db2.gz PZJHGIBUDNEFKN-SNVBAGLBSA-N 1 2 243.266 1.202 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000070990293 359069917 /nfs/dbraw/zinc/06/99/17/359069917.db2.gz XMSFKOWWMQAVSL-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2c(c1)COC2 ZINC000070991450 359069927 /nfs/dbraw/zinc/06/99/27/359069927.db2.gz QAPXZBUQVCWHJB-UHFFFAOYSA-N 1 2 243.266 1.370 20 0 BDADLO O=C(COc1ccccc1F)NCc1[nH]cc[nH+]1 ZINC000070990445 359070039 /nfs/dbraw/zinc/07/00/39/359070039.db2.gz VGCJERKAYXIECW-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1F ZINC000070991772 359070298 /nfs/dbraw/zinc/07/02/98/359070298.db2.gz FNARLBBIJHQBAU-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cnn2ccccc12 ZINC000071373592 359078527 /nfs/dbraw/zinc/07/85/27/359078527.db2.gz DQJLTJORWPRIOO-UHFFFAOYSA-N 1 2 241.298 1.358 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)o1 ZINC000246433064 359083821 /nfs/dbraw/zinc/08/38/21/359083821.db2.gz TWLOHGDGODCATA-BDAKNGLRSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@@H](C)[C@H]2C)o1 ZINC000246433064 359083824 /nfs/dbraw/zinc/08/38/24/359083824.db2.gz TWLOHGDGODCATA-BDAKNGLRSA-N 1 2 241.360 1.958 20 0 BDADLO CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000074556948 359121587 /nfs/dbraw/zinc/12/15/87/359121587.db2.gz HLOBFQQAQNABFO-PHIMTYICSA-N 1 2 248.392 1.141 20 0 BDADLO CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000074556948 359121591 /nfs/dbraw/zinc/12/15/91/359121591.db2.gz HLOBFQQAQNABFO-PHIMTYICSA-N 1 2 248.392 1.141 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)[C@H]2C)o1 ZINC000246465521 359107190 /nfs/dbraw/zinc/10/71/90/359107190.db2.gz WUVIEHSTCRKZMY-HTQZYQBOSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2C)o1 ZINC000246465521 359107193 /nfs/dbraw/zinc/10/71/93/359107193.db2.gz WUVIEHSTCRKZMY-HTQZYQBOSA-N 1 2 227.333 1.704 20 0 BDADLO NC(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448688 359119014 /nfs/dbraw/zinc/11/90/14/359119014.db2.gz QSGSZYJJIXBFPO-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO NC(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448688 359119019 /nfs/dbraw/zinc/11/90/19/359119019.db2.gz QSGSZYJJIXBFPO-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO Cc1cc(NC(=O)c2cc[nH]c2)cc[nH+]1 ZINC000074701759 359125301 /nfs/dbraw/zinc/12/53/01/359125301.db2.gz GCNZOVMSXSIABV-UHFFFAOYSA-N 1 2 201.229 1.970 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000074902114 359133615 /nfs/dbraw/zinc/13/36/15/359133615.db2.gz LQUVFVLQMXLJMB-LBPRGKRZSA-N 1 2 249.314 1.139 20 0 BDADLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000074902114 359133617 /nfs/dbraw/zinc/13/36/17/359133617.db2.gz LQUVFVLQMXLJMB-LBPRGKRZSA-N 1 2 249.314 1.139 20 0 BDADLO O=C1C[N@H+](Cc2ccccn2)[C@@H]2CCCC[C@@H]2N1 ZINC000246650869 359154691 /nfs/dbraw/zinc/15/46/91/359154691.db2.gz PHUCNNIVGZVCPU-QWHCGFSZSA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2ccccn2)[C@@H]2CCCC[C@@H]2N1 ZINC000246650869 359154695 /nfs/dbraw/zinc/15/46/95/359154695.db2.gz PHUCNNIVGZVCPU-QWHCGFSZSA-N 1 2 245.326 1.325 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000247499258 359226811 /nfs/dbraw/zinc/22/68/11/359226811.db2.gz HYRXTJSNPLGHFZ-GHMZBOCLSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000247499258 359226814 /nfs/dbraw/zinc/22/68/14/359226814.db2.gz HYRXTJSNPLGHFZ-GHMZBOCLSA-N 1 2 228.336 1.010 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000248262502 359260419 /nfs/dbraw/zinc/26/04/19/359260419.db2.gz MWALAKGUMKSJSJ-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000248262502 359260422 /nfs/dbraw/zinc/26/04/22/359260422.db2.gz MWALAKGUMKSJSJ-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247232036 359203581 /nfs/dbraw/zinc/20/35/81/359203581.db2.gz WJWVYEMJTYRBKM-OLZOCXBDSA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247232036 359203587 /nfs/dbraw/zinc/20/35/87/359203587.db2.gz WJWVYEMJTYRBKM-OLZOCXBDSA-N 1 2 237.299 1.659 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000247404809 359219530 /nfs/dbraw/zinc/21/95/30/359219530.db2.gz BRTCNWWESVDITG-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000247404809 359219533 /nfs/dbraw/zinc/21/95/33/359219533.db2.gz BRTCNWWESVDITG-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CCCCc1cc(NCC2(C)COC2)nc[nH+]1 ZINC000631117567 359299020 /nfs/dbraw/zinc/29/90/20/359299020.db2.gz OZEAAQOKKMLGKO-UHFFFAOYSA-N 1 2 235.331 1.690 20 0 BDADLO Cc1nocc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000633334506 359404819 /nfs/dbraw/zinc/40/48/19/359404819.db2.gz RPPIHHXKSSKXSH-XCBNKYQSSA-N 1 2 246.270 1.615 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)Cc2cn[nH]c2)[nH]1 ZINC000611621928 359406779 /nfs/dbraw/zinc/40/67/79/359406779.db2.gz IQVRTCGTJCCULR-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)[nH]1 ZINC000611621928 359406784 /nfs/dbraw/zinc/40/67/84/359406784.db2.gz IQVRTCGTJCCULR-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO CC(C)CCSCC(=O)N1CC[NH+](C)CC1 ZINC000056967298 359605186 /nfs/dbraw/zinc/60/51/86/359605186.db2.gz KBKCYRPTMANIGA-UHFFFAOYSA-N 1 2 244.404 1.540 20 0 BDADLO CCC1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612034559 359613232 /nfs/dbraw/zinc/61/32/32/359613232.db2.gz OLTMDGJOSVMDBS-JTQLQIEISA-N 1 2 247.342 1.821 20 0 BDADLO CCC1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612034559 359613236 /nfs/dbraw/zinc/61/32/36/359613236.db2.gz OLTMDGJOSVMDBS-JTQLQIEISA-N 1 2 247.342 1.821 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000612038634 359618525 /nfs/dbraw/zinc/61/85/25/359618525.db2.gz KKNWSGICSPFJHG-JTQLQIEISA-N 1 2 247.342 1.821 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000612038634 359618530 /nfs/dbraw/zinc/61/85/30/359618530.db2.gz KKNWSGICSPFJHG-JTQLQIEISA-N 1 2 247.342 1.821 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCCO1 ZINC000613840341 363663787 /nfs/dbraw/zinc/66/37/87/363663787.db2.gz NKCXJYAFXOKBEO-SECBINFHSA-N 1 2 235.287 1.069 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCO1 ZINC000613840341 363663791 /nfs/dbraw/zinc/66/37/91/363663791.db2.gz NKCXJYAFXOKBEO-SECBINFHSA-N 1 2 235.287 1.069 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)[C@@H](C)O ZINC000450801267 202269505 /nfs/dbraw/zinc/26/95/05/202269505.db2.gz RMTXEBNXZZBZED-MWLCHTKSSA-N 1 2 235.331 1.656 20 0 BDADLO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)nc[nH+]1 ZINC000450804118 202269849 /nfs/dbraw/zinc/26/98/49/202269849.db2.gz BUVJQVZGNQMLET-JHJVBQTASA-N 1 2 247.342 1.772 20 0 BDADLO OCC1(CCNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000450826483 202278321 /nfs/dbraw/zinc/27/83/21/202278321.db2.gz YGMIJSPKFKLAMH-UHFFFAOYSA-N 1 2 233.315 1.350 20 0 BDADLO Cc1nnc(CC(=O)Nc2ccc(C)[nH+]c2C)[nH]1 ZINC000612227318 359740547 /nfs/dbraw/zinc/74/05/47/359740547.db2.gz SIBZQZXUWAOGDO-UHFFFAOYSA-N 1 2 245.286 1.306 20 0 BDADLO O=C1C[N@H+](CC23CCC(CC2)C3)CN1C1CC1 ZINC000450885510 202298183 /nfs/dbraw/zinc/29/81/83/202298183.db2.gz UXALJWDDIOEARV-UHFFFAOYSA-N 1 2 234.343 1.831 20 0 BDADLO O=C1C[N@@H+](CC23CCC(CC2)C3)CN1C1CC1 ZINC000450885510 202298187 /nfs/dbraw/zinc/29/81/87/202298187.db2.gz UXALJWDDIOEARV-UHFFFAOYSA-N 1 2 234.343 1.831 20 0 BDADLO CCO[C@@H]1COC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000450898155 202303278 /nfs/dbraw/zinc/30/32/78/202303278.db2.gz SRHNMSAEXYTTJP-NXEZZACHSA-N 1 2 223.276 1.001 20 0 BDADLO COc1cccnc1CNc1cc(C)[nH+]cn1 ZINC000450927054 202313087 /nfs/dbraw/zinc/31/30/87/202313087.db2.gz OGTITEZJIIZHCZ-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO Cc1nnsc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000578445891 366570529 /nfs/dbraw/zinc/57/05/29/366570529.db2.gz XSJWPTPGSXGCRZ-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnsc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000578445891 366570531 /nfs/dbraw/zinc/57/05/31/366570531.db2.gz XSJWPTPGSXGCRZ-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450990486 202329809 /nfs/dbraw/zinc/32/98/09/202329809.db2.gz IWMGEBIAFODMQZ-MRVPVSSYSA-N 1 2 241.360 1.882 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450990486 202329811 /nfs/dbraw/zinc/32/98/11/202329811.db2.gz IWMGEBIAFODMQZ-MRVPVSSYSA-N 1 2 241.360 1.882 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451120447 202354701 /nfs/dbraw/zinc/35/47/01/202354701.db2.gz KDNOAKHKHQVXPN-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCC[C@](C)(F)C1 ZINC000451120447 202354705 /nfs/dbraw/zinc/35/47/05/202354705.db2.gz KDNOAKHKHQVXPN-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](F)C1 ZINC000451180067 202370824 /nfs/dbraw/zinc/37/08/24/202370824.db2.gz BXJZRFPCGZRTDG-IUCAKERBSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](F)C1 ZINC000451180067 202370828 /nfs/dbraw/zinc/37/08/28/202370828.db2.gz BXJZRFPCGZRTDG-IUCAKERBSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000451155698 202367979 /nfs/dbraw/zinc/36/79/79/202367979.db2.gz CBDOBUGMHONJCO-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000451155698 202367982 /nfs/dbraw/zinc/36/79/82/202367982.db2.gz CBDOBUGMHONJCO-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)[N@H+](C[C@@H](O)C(F)(F)F)C1COC1 ZINC000451120866 202358176 /nfs/dbraw/zinc/35/81/76/202358176.db2.gz OEGILDZWISYSHL-MRVPVSSYSA-N 1 2 227.226 1.019 20 0 BDADLO CC(C)[N@@H+](C[C@@H](O)C(F)(F)F)C1COC1 ZINC000451120866 202358179 /nfs/dbraw/zinc/35/81/79/202358179.db2.gz OEGILDZWISYSHL-MRVPVSSYSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@]1(F)CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000451123191 202361469 /nfs/dbraw/zinc/36/14/69/202361469.db2.gz UWUWKBZPRWJSAZ-LBPRGKRZSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000451123191 202361471 /nfs/dbraw/zinc/36/14/71/202361471.db2.gz UWUWKBZPRWJSAZ-LBPRGKRZSA-N 1 2 228.311 1.337 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451190894 202371809 /nfs/dbraw/zinc/37/18/09/202371809.db2.gz QRDHWFISJJVJAZ-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451190894 202371813 /nfs/dbraw/zinc/37/18/13/202371813.db2.gz QRDHWFISJJVJAZ-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO O=[S@@](CC[N@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000451190448 202373297 /nfs/dbraw/zinc/37/32/97/202373297.db2.gz QPIATRBBNIWUPG-ZBEGNZNMSA-N 1 2 241.331 1.838 20 0 BDADLO O=[S@@](CC[N@@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000451190448 202373299 /nfs/dbraw/zinc/37/32/99/202373299.db2.gz QPIATRBBNIWUPG-ZBEGNZNMSA-N 1 2 241.331 1.838 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@](C)(COC)C2)[nH]1 ZINC000451203393 202379914 /nfs/dbraw/zinc/37/99/14/202379914.db2.gz PVAIVXXPRGCPRX-LBPRGKRZSA-N 1 2 238.335 1.226 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@](C)(COC)C2)[nH]1 ZINC000451203393 202379917 /nfs/dbraw/zinc/37/99/17/202379917.db2.gz PVAIVXXPRGCPRX-LBPRGKRZSA-N 1 2 238.335 1.226 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1CCO[C@H]1C)C(C)C ZINC000451219484 202380899 /nfs/dbraw/zinc/38/08/99/202380899.db2.gz UNJOXVROOFCUTF-TUAOUCFPSA-N 1 2 243.347 1.730 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2CCOC2(C)C)no1 ZINC000451237952 202383755 /nfs/dbraw/zinc/38/37/55/202383755.db2.gz SFIWSHSLVNMSCN-SECBINFHSA-N 1 2 239.319 1.679 20 0 BDADLO CC[N@H+](C1COC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000451281236 202394359 /nfs/dbraw/zinc/39/43/59/202394359.db2.gz ABBYPMBUSQOGRL-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@@H+](C1COC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000451281236 202394362 /nfs/dbraw/zinc/39/43/62/202394362.db2.gz ABBYPMBUSQOGRL-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO CCc1ccc(C[N@@H+](CC)C2COC2)nc1 ZINC000451290002 202395935 /nfs/dbraw/zinc/39/59/35/202395935.db2.gz LBIQSBMYFQNQDB-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+](CC)C2COC2)nc1 ZINC000451290002 202395938 /nfs/dbraw/zinc/39/59/38/202395938.db2.gz LBIQSBMYFQNQDB-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1C ZINC000088357793 359947874 /nfs/dbraw/zinc/94/78/74/359947874.db2.gz JIPMDXNWHSPXJW-LBPRGKRZSA-N 1 2 234.299 1.230 20 0 BDADLO CCN(Cc1cnn(C)c1)c1nc(C)[nH+]cc1C ZINC000578907184 366673387 /nfs/dbraw/zinc/67/33/87/366673387.db2.gz VVDKHLJCZJDSSR-UHFFFAOYSA-N 1 2 245.330 1.853 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCOC2(C)C)C1 ZINC000578906956 366674564 /nfs/dbraw/zinc/67/45/64/366674564.db2.gz SFVBBVHPQWGHPA-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO O=C(Cc1ccc(Cl)cc1)NCc1c[nH+]c[nH]1 ZINC000088753055 359976183 /nfs/dbraw/zinc/97/61/83/359976183.db2.gz NTYGIBQPKVLKBF-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO O=C(Cc1ccc(Cl)cc1)NCc1c[nH]c[nH+]1 ZINC000088753055 359976186 /nfs/dbraw/zinc/97/61/86/359976186.db2.gz NTYGIBQPKVLKBF-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CCSC ZINC000578842812 366656805 /nfs/dbraw/zinc/65/68/05/366656805.db2.gz JTTHLCZWYCTKKU-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CCSC ZINC000578842812 366656808 /nfs/dbraw/zinc/65/68/08/366656808.db2.gz JTTHLCZWYCTKKU-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(CF)CCC1 ZINC000578870927 366662980 /nfs/dbraw/zinc/66/29/80/366662980.db2.gz FGIVLJXUDHPZRA-UHFFFAOYSA-N 1 2 239.294 1.659 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC2(CC2)C1 ZINC000612695092 360011404 /nfs/dbraw/zinc/01/14/04/360011404.db2.gz IBJOLMVYNQLEFX-JTQLQIEISA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC2(CC2)C1 ZINC000612695092 360011409 /nfs/dbraw/zinc/01/14/09/360011409.db2.gz IBJOLMVYNQLEFX-JTQLQIEISA-N 1 2 245.326 1.573 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628518138 359999068 /nfs/dbraw/zinc/99/90/68/359999068.db2.gz BHAHMZOMGFMVIC-LPEHRKFASA-N 1 2 219.288 1.067 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628518138 359999070 /nfs/dbraw/zinc/99/90/70/359999070.db2.gz BHAHMZOMGFMVIC-LPEHRKFASA-N 1 2 219.288 1.067 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090008103 360053410 /nfs/dbraw/zinc/05/34/10/360053410.db2.gz VMRIUWWNHVNEBZ-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090008103 360053414 /nfs/dbraw/zinc/05/34/14/360053414.db2.gz VMRIUWWNHVNEBZ-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO COC(=O)C(C)(C)NCc1c[nH+]cn1C(C)C ZINC000090208197 360064524 /nfs/dbraw/zinc/06/45/24/360064524.db2.gz HRIRYNMEFHPKIO-UHFFFAOYSA-N 1 2 239.319 1.505 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@H]1C(=O)OC ZINC000090235864 360067012 /nfs/dbraw/zinc/06/70/12/360067012.db2.gz IAXKLPZSXWLRSD-NSHDSACASA-N 1 2 237.303 1.040 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnc2cnccn12 ZINC000091980393 360139460 /nfs/dbraw/zinc/13/94/60/360139460.db2.gz RBRJALRXZVVSPG-LLVKDONJSA-N 1 2 246.314 1.340 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnc2cnccn12 ZINC000091980393 360139468 /nfs/dbraw/zinc/13/94/68/360139468.db2.gz RBRJALRXZVVSPG-LLVKDONJSA-N 1 2 246.314 1.340 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042310 360147563 /nfs/dbraw/zinc/14/75/63/360147563.db2.gz YYKVAPCTEJUTOK-QWRGUYRKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042310 360147566 /nfs/dbraw/zinc/14/75/66/360147566.db2.gz YYKVAPCTEJUTOK-QWRGUYRKSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000091810696 360132017 /nfs/dbraw/zinc/13/20/17/360132017.db2.gz DVOGCCRXCYXRLJ-NSHDSACASA-N 1 2 237.347 1.859 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000091810696 360132020 /nfs/dbraw/zinc/13/20/20/360132020.db2.gz DVOGCCRXCYXRLJ-NSHDSACASA-N 1 2 237.347 1.859 20 0 BDADLO Cc1ccn2c(CN3CCOC[C@H]3C)c[nH+]c2c1 ZINC000091810321 360132078 /nfs/dbraw/zinc/13/20/78/360132078.db2.gz CVXYYXMCNWRDMZ-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@H+]3CCOC[C@H]3C)cnc2c1 ZINC000091810321 360132079 /nfs/dbraw/zinc/13/20/79/360132079.db2.gz CVXYYXMCNWRDMZ-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@@H+]3CCOC[C@H]3C)cnc2c1 ZINC000091810321 360132082 /nfs/dbraw/zinc/13/20/82/360132082.db2.gz CVXYYXMCNWRDMZ-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO COC(=O)C[N@H+](Cc1cccc(C)n1)C(C)C ZINC000091873936 360132813 /nfs/dbraw/zinc/13/28/13/360132813.db2.gz LRWBBCVDVAACGS-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccc(C)n1)C(C)C ZINC000091873936 360132819 /nfs/dbraw/zinc/13/28/19/360132819.db2.gz LRWBBCVDVAACGS-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CCOCC ZINC000093314028 360229390 /nfs/dbraw/zinc/22/93/90/360229390.db2.gz HBPPGSOEFMJGMH-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CCOCC ZINC000093314028 360229391 /nfs/dbraw/zinc/22/93/91/360229391.db2.gz HBPPGSOEFMJGMH-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cccs1 ZINC000093384454 360237067 /nfs/dbraw/zinc/23/70/67/360237067.db2.gz FIMTZMZPTFUKPV-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccs1 ZINC000093384454 360237071 /nfs/dbraw/zinc/23/70/71/360237071.db2.gz FIMTZMZPTFUKPV-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c[nH]1 ZINC000093691100 360272760 /nfs/dbraw/zinc/27/27/60/360272760.db2.gz QKHIDBVJVHEUJC-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c[nH]1 ZINC000093691100 360272763 /nfs/dbraw/zinc/27/27/63/360272763.db2.gz QKHIDBVJVHEUJC-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1ncc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)[nH]1 ZINC000093691100 360272768 /nfs/dbraw/zinc/27/27/68/360272768.db2.gz QKHIDBVJVHEUJC-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1ncc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)[nH]1 ZINC000093691100 360272773 /nfs/dbraw/zinc/27/27/73/360272773.db2.gz QKHIDBVJVHEUJC-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1coc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000093841463 360283495 /nfs/dbraw/zinc/28/34/95/360283495.db2.gz NNNFIKPNOZANLV-LBPRGKRZSA-N 1 2 233.271 1.576 20 0 BDADLO c1coc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)c1 ZINC000093841463 360283497 /nfs/dbraw/zinc/28/34/97/360283497.db2.gz NNNFIKPNOZANLV-LBPRGKRZSA-N 1 2 233.271 1.576 20 0 BDADLO CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000096785678 360354166 /nfs/dbraw/zinc/35/41/66/360354166.db2.gz HZJPECFQZXVGJA-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096643187 360351406 /nfs/dbraw/zinc/35/14/06/360351406.db2.gz LUYRORNWUGJZSV-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCC(=O)NC2)c(C)[nH+]1 ZINC000094820568 360321559 /nfs/dbraw/zinc/32/15/59/360321559.db2.gz KEPJBWHUIJJQHW-JTQLQIEISA-N 1 2 247.298 1.163 20 0 BDADLO CC[N@H+](Cc1ccccn1)[C@H](C(=O)OC)C1CC1 ZINC000094919680 360327193 /nfs/dbraw/zinc/32/71/93/360327193.db2.gz MPYGBSGPJCAZIO-ZDUSSCGKSA-N 1 2 248.326 1.855 20 0 BDADLO CC[N@@H+](Cc1ccccn1)[C@H](C(=O)OC)C1CC1 ZINC000094919680 360327198 /nfs/dbraw/zinc/32/71/98/360327198.db2.gz MPYGBSGPJCAZIO-ZDUSSCGKSA-N 1 2 248.326 1.855 20 0 BDADLO NC(=O)c1ccc(Nc2[nH+]cccc2N)cc1 ZINC000020317458 181301136 /nfs/dbraw/zinc/30/11/36/181301136.db2.gz LUEACLGEHKTQJF-UHFFFAOYSA-N 1 2 228.255 1.506 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(C)(C)C1 ZINC000614200799 363740677 /nfs/dbraw/zinc/74/06/77/363740677.db2.gz ZGULTEBFAUEAQH-NXEZZACHSA-N 1 2 233.315 1.392 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C1CC1)C1CC1 ZINC000628815684 360668073 /nfs/dbraw/zinc/66/80/73/360668073.db2.gz VQSHXIPSZSHCEJ-UHFFFAOYSA-N 1 2 219.288 1.414 20 0 BDADLO C/C=C/CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000629032395 360812493 /nfs/dbraw/zinc/81/24/93/360812493.db2.gz CWEMFQKNIKPAFA-SNAWJCMRSA-N 1 2 207.277 1.380 20 0 BDADLO C/C=C\CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000629032668 360813736 /nfs/dbraw/zinc/81/37/36/360813736.db2.gz GOJURUMXMFHZQL-IHWYPQMZSA-N 1 2 246.301 1.656 20 0 BDADLO NC(=O)c1csc(C[N@@H+]2CCC[C@H]2CF)c1 ZINC000293884854 181311257 /nfs/dbraw/zinc/31/12/57/181311257.db2.gz DGFFYGPRBLXCBB-VIFPVBQESA-N 1 2 242.319 1.781 20 0 BDADLO NC(=O)c1csc(C[N@H+]2CCC[C@H]2CF)c1 ZINC000293884854 181311260 /nfs/dbraw/zinc/31/12/60/181311260.db2.gz DGFFYGPRBLXCBB-VIFPVBQESA-N 1 2 242.319 1.781 20 0 BDADLO CC(C)(C)C(=O)NCCNc1cccc[nH+]1 ZINC000063705647 360842001 /nfs/dbraw/zinc/84/20/01/360842001.db2.gz ZSLTYEONZUXKTN-UHFFFAOYSA-N 1 2 221.304 1.656 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](C)COCC)C(=O)OC ZINC000154628817 360842637 /nfs/dbraw/zinc/84/26/37/360842637.db2.gz FQHOBANFFOWMSR-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@@H](O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000154672703 360846230 /nfs/dbraw/zinc/84/62/30/360846230.db2.gz LRAJMVILDRUGSO-SNVBAGLBSA-N 1 2 221.304 1.927 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000169798314 361131825 /nfs/dbraw/zinc/13/18/25/361131825.db2.gz OTZSVHKCNBZHNX-LBPRGKRZSA-N 1 2 241.294 1.628 20 0 BDADLO CC(C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000169798300 361132011 /nfs/dbraw/zinc/13/20/11/361132011.db2.gz FHSTWFPMMMVGAY-JTQLQIEISA-N 1 2 221.304 1.360 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](F)C1 ZINC000332979273 361241440 /nfs/dbraw/zinc/24/14/40/361241440.db2.gz KJTROTALFYFNCV-IUCAKERBSA-N 1 2 225.267 1.267 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[C@H](F)C1 ZINC000332979273 361241447 /nfs/dbraw/zinc/24/14/47/361241447.db2.gz KJTROTALFYFNCV-IUCAKERBSA-N 1 2 225.267 1.267 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640484871 361277063 /nfs/dbraw/zinc/27/70/63/361277063.db2.gz GCKNGZZRDXKEJV-LDYMZIIASA-N 1 2 239.344 1.228 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000640484871 361277072 /nfs/dbraw/zinc/27/70/72/361277072.db2.gz GCKNGZZRDXKEJV-LDYMZIIASA-N 1 2 239.344 1.228 20 0 BDADLO C[C@H](CC(=O)NCC1=CCCOC1)n1cc[nH+]c1 ZINC000578991147 366688771 /nfs/dbraw/zinc/68/87/71/366688771.db2.gz DFIWCBKPIYYBCN-LLVKDONJSA-N 1 2 249.314 1.297 20 0 BDADLO C[C@H](C(=O)N[C@H](C)C(F)(F)F)[NH+]1CC(C)C1 ZINC000575001721 361289955 /nfs/dbraw/zinc/28/99/55/361289955.db2.gz LWKGECACWBRYNB-HTQZYQBOSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579000203 366691015 /nfs/dbraw/zinc/69/10/15/366691015.db2.gz BINQJFUWRPHKSZ-MNOVXSKESA-N 1 2 224.348 1.633 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332980321 361259169 /nfs/dbraw/zinc/25/91/69/361259169.db2.gz MFIGBKZORJUDHQ-QWRGUYRKSA-N 1 2 248.330 1.392 20 0 BDADLO Cc1nocc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000640479586 361260834 /nfs/dbraw/zinc/26/08/34/361260834.db2.gz DCVHOCXODRGMTC-QMMMGPOBSA-N 1 2 234.259 1.769 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@@H]1O ZINC000428290263 201005555 /nfs/dbraw/zinc/00/55/55/201005555.db2.gz LZZFVJSGGYWYLT-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@@H]1O ZINC000428290263 201005556 /nfs/dbraw/zinc/00/55/56/201005556.db2.gz LZZFVJSGGYWYLT-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CCOC1(C)CN(c2nc(C)[nH+]cc2C)C1 ZINC000579128346 366719035 /nfs/dbraw/zinc/71/90/35/366719035.db2.gz OWIXYPRMXFNEOX-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000579139398 366723454 /nfs/dbraw/zinc/72/34/54/366723454.db2.gz GCIBIWSYKQFTMP-OUAUKWLOSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000579139398 366723458 /nfs/dbraw/zinc/72/34/58/366723458.db2.gz GCIBIWSYKQFTMP-OUAUKWLOSA-N 1 2 235.331 1.845 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ncn1 ZINC000428408941 201013608 /nfs/dbraw/zinc/01/36/08/201013608.db2.gz ZKXVLGARLFGKKK-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ncn1 ZINC000428408941 201013611 /nfs/dbraw/zinc/01/36/11/201013611.db2.gz ZKXVLGARLFGKKK-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000428462426 201020809 /nfs/dbraw/zinc/02/08/09/201020809.db2.gz LAESBALOHCBNIK-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000428462426 201020811 /nfs/dbraw/zinc/02/08/11/201020811.db2.gz LAESBALOHCBNIK-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C(F)F)n2)CC[C@H]1O ZINC000428481608 201024395 /nfs/dbraw/zinc/02/43/95/201024395.db2.gz FSMNTNPREHBWAJ-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CC[C@H]1O ZINC000428481608 201024398 /nfs/dbraw/zinc/02/43/98/201024398.db2.gz FSMNTNPREHBWAJ-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)ncn1 ZINC000428297304 201008723 /nfs/dbraw/zinc/00/87/23/201008723.db2.gz SMLZPCFHZIPCRG-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)ncn1 ZINC000428297304 201008725 /nfs/dbraw/zinc/00/87/25/201008725.db2.gz SMLZPCFHZIPCRG-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO CC(C)c1nc(N[C@@H](CO)CC(F)F)cc[nH+]1 ZINC000428659239 201032901 /nfs/dbraw/zinc/03/29/01/201032901.db2.gz UQDSNFYXANYBPX-MRVPVSSYSA-N 1 2 245.273 1.450 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614241415 363756646 /nfs/dbraw/zinc/75/66/46/363756646.db2.gz GCLJAMWPCINJNG-MRVPVSSYSA-N 1 2 237.278 1.085 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614241415 363756649 /nfs/dbraw/zinc/75/66/49/363756649.db2.gz GCLJAMWPCINJNG-MRVPVSSYSA-N 1 2 237.278 1.085 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000429132367 201069684 /nfs/dbraw/zinc/06/96/84/201069684.db2.gz ZOJNPBILHRYARF-UHFFFAOYSA-N 1 2 246.314 1.032 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000429132367 201069686 /nfs/dbraw/zinc/06/96/86/201069686.db2.gz ZOJNPBILHRYARF-UHFFFAOYSA-N 1 2 246.314 1.032 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1nc2ccccc2o1 ZINC000429128950 201071411 /nfs/dbraw/zinc/07/14/11/201071411.db2.gz OJFCSCQFRKXLCR-UHFFFAOYSA-N 1 2 247.298 1.525 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1nc2ccccc2o1 ZINC000429128950 201071414 /nfs/dbraw/zinc/07/14/14/201071414.db2.gz OJFCSCQFRKXLCR-UHFFFAOYSA-N 1 2 247.298 1.525 20 0 BDADLO CC(C)NC(=O)[C@@H](C)Nc1cccc[nH+]1 ZINC000162571719 361356397 /nfs/dbraw/zinc/35/63/97/361356397.db2.gz OOZQWMCPIIFXIY-SECBINFHSA-N 1 2 207.277 1.407 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614245095 363759501 /nfs/dbraw/zinc/75/95/01/363759501.db2.gz OLVHXKQSDRWLSX-GWOFURMSSA-N 1 2 233.315 1.533 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000429048539 201064927 /nfs/dbraw/zinc/06/49/27/201064927.db2.gz SBNRJNUHRINQLB-ZETCQYMHSA-N 1 2 249.240 1.077 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000429048539 201064929 /nfs/dbraw/zinc/06/49/29/201064929.db2.gz SBNRJNUHRINQLB-ZETCQYMHSA-N 1 2 249.240 1.077 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)[nH]1 ZINC000429117550 201068290 /nfs/dbraw/zinc/06/82/90/201068290.db2.gz UYQALOSBDDYREV-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)C[C@@H]2C)[nH]1 ZINC000429117550 201068293 /nfs/dbraw/zinc/06/82/93/201068293.db2.gz UYQALOSBDDYREV-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCc3nn[nH]c3C2)n1 ZINC000429283941 201093567 /nfs/dbraw/zinc/09/35/67/201093567.db2.gz IUMZNZJNINVPOJ-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCc3nn[nH]c3C2)n1 ZINC000429283941 201093570 /nfs/dbraw/zinc/09/35/70/201093570.db2.gz IUMZNZJNINVPOJ-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429388346 201100849 /nfs/dbraw/zinc/10/08/49/201100849.db2.gz NVMQECFFOYLZDT-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429388346 201100850 /nfs/dbraw/zinc/10/08/50/201100850.db2.gz NVMQECFFOYLZDT-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000181368438 366805575 /nfs/dbraw/zinc/80/55/75/366805575.db2.gz BMHMJHYAXWVJEP-SNVBAGLBSA-N 1 2 228.299 1.910 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1csnn1 ZINC000430130988 201147693 /nfs/dbraw/zinc/14/76/93/201147693.db2.gz XGQBFMLAWJXZEA-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1csnn1 ZINC000430130988 201147695 /nfs/dbraw/zinc/14/76/95/201147695.db2.gz XGQBFMLAWJXZEA-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO CCn1cccc(C[NH2+]Cc2cscn2)c1=O ZINC000433186852 201165467 /nfs/dbraw/zinc/16/54/67/201165467.db2.gz HBXOAQJDUAUOLN-UHFFFAOYSA-N 1 2 249.339 1.615 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2cccc(O)c2)c1 ZINC000170215423 361500422 /nfs/dbraw/zinc/50/04/22/361500422.db2.gz DFHPRWWZCKVUPA-UHFFFAOYSA-N 1 2 245.282 1.098 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000614379053 363799905 /nfs/dbraw/zinc/79/99/05/363799905.db2.gz LNWQCYUWXNZCHX-VXGBXAGGSA-N 1 2 245.326 1.702 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000629617147 361511617 /nfs/dbraw/zinc/51/16/17/361511617.db2.gz RILUSZLRMSQRJK-FZMZJTMJSA-N 1 2 247.342 1.754 20 0 BDADLO CCOCC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433296742 201176640 /nfs/dbraw/zinc/17/66/40/201176640.db2.gz UCLRFENTFZPOOQ-GFCCVEGCSA-N 1 2 239.319 1.629 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579480706 366826997 /nfs/dbraw/zinc/82/69/97/366826997.db2.gz WIGODBSXEFGINS-MXWKQRLJSA-N 1 2 239.319 1.374 20 0 BDADLO COC[C@@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433772900 201193082 /nfs/dbraw/zinc/19/30/82/201193082.db2.gz FIXYBOMXVAJDBO-MRVPVSSYSA-N 1 2 234.303 1.737 20 0 BDADLO COCc1noc(C[NH+]2CCCCC2)n1 ZINC000152848710 201210605 /nfs/dbraw/zinc/21/06/05/201210605.db2.gz FEXADZCNEVLOHY-UHFFFAOYSA-N 1 2 211.265 1.202 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000629691701 361619196 /nfs/dbraw/zinc/61/91/96/361619196.db2.gz XHLGYVNGWGNNEN-GMTAPVOTSA-N 1 2 237.303 1.128 20 0 BDADLO COCCN1CC[C@@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000309984646 491159375 /nfs/dbraw/zinc/15/93/75/491159375.db2.gz XUHXHAKBCOGQKI-SECBINFHSA-N 1 2 236.306 1.340 20 0 BDADLO CC(=O)[C@H](C)SCCC[NH+]1CCOCC1 ZINC000434795846 201240004 /nfs/dbraw/zinc/24/00/04/201240004.db2.gz OSAKXLFITJXVQO-NSHDSACASA-N 1 2 231.361 1.419 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@H]2COC)no1 ZINC000448557440 201262235 /nfs/dbraw/zinc/26/22/35/201262235.db2.gz UMNWGRNJPDYKRB-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@H]2COC)no1 ZINC000448557440 201262236 /nfs/dbraw/zinc/26/22/36/201262236.db2.gz UMNWGRNJPDYKRB-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCNc1ccc(-c2cnoc2C)c[nH+]1 ZINC000629713756 361654695 /nfs/dbraw/zinc/65/46/95/361654695.db2.gz SRWHHEJWEZECAF-UHFFFAOYSA-N 1 2 203.245 1.899 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000448566087 201299134 /nfs/dbraw/zinc/29/91/34/201299134.db2.gz OIQUFYNVHAZDOS-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000435981148 201304158 /nfs/dbraw/zinc/30/41/58/201304158.db2.gz UVPAOWHQUPXESH-SDDRHHMPSA-N 1 2 245.326 1.360 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000155233263 201307780 /nfs/dbraw/zinc/30/77/80/201307780.db2.gz BXJVHNBHAGPZRR-QWRGUYRKSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1[nH]cc(-c2cncc(C(=O)N(C)C)c2)[nH+]1 ZINC000629755568 361685228 /nfs/dbraw/zinc/68/52/28/361685228.db2.gz VHBRRQZUEQNWMW-UHFFFAOYSA-N 1 2 230.271 1.482 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000448594717 201382806 /nfs/dbraw/zinc/38/28/06/201382806.db2.gz NNTAPEGZLLJELV-SDDRHHMPSA-N 1 2 247.342 1.815 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000448594719 201383532 /nfs/dbraw/zinc/38/35/32/201383532.db2.gz NNTAPEGZLLJELV-WOPDTQHZSA-N 1 2 247.342 1.815 20 0 BDADLO CC[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000618954689 363942162 /nfs/dbraw/zinc/94/21/62/363942162.db2.gz ROJOLSCHKHJTCX-LBPRGKRZSA-N 1 2 221.304 1.578 20 0 BDADLO Cc1cccnc1NC(=O)NCc1c[nH+]cn1C ZINC000290378574 541308288 /nfs/dbraw/zinc/30/82/88/541308288.db2.gz MOIGIHXJDQGWNG-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000398897587 363986765 /nfs/dbraw/zinc/98/67/65/363986765.db2.gz LFIPJNGBCGCFMO-XQQFMLRXSA-N 1 2 248.326 1.171 20 0 BDADLO CCSCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000614917307 364082528 /nfs/dbraw/zinc/08/25/28/364082528.db2.gz VIUVUJLWIXUXMA-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CCSCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000614917307 364082533 /nfs/dbraw/zinc/08/25/33/364082533.db2.gz VIUVUJLWIXUXMA-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccco1 ZINC000630409257 364141853 /nfs/dbraw/zinc/14/18/53/364141853.db2.gz JLXRLVJXEHPCHW-UHFFFAOYSA-N 1 2 234.259 1.344 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cncn1C ZINC000622084091 370700753 /nfs/dbraw/zinc/70/07/53/370700753.db2.gz RMRHOIJNRFRFRD-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO C/C=C/CNC(=O)NCCCn1cc[nH+]c1 ZINC000630397176 364123139 /nfs/dbraw/zinc/12/31/39/364123139.db2.gz RYRAXKXTGANKHC-NSCUHMNNSA-N 1 2 222.292 1.149 20 0 BDADLO Cc1nc(C)c(C(=O)N(C)Cc2c[nH+]c[nH]2)[nH]1 ZINC000622134238 370728518 /nfs/dbraw/zinc/72/85/18/370728518.db2.gz ZZSBTTSXGCLPAV-UHFFFAOYSA-N 1 2 233.275 1.022 20 0 BDADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCC1 ZINC000630570804 364265934 /nfs/dbraw/zinc/26/59/34/364265934.db2.gz FUFINYFBQYSHNP-UHFFFAOYSA-N 1 2 241.294 1.647 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000191710671 219934864 /nfs/dbraw/zinc/93/48/64/219934864.db2.gz VJFDTGIWCJDJTC-HBNTYKKESA-N 1 2 231.336 1.731 20 0 BDADLO COc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccn1 ZINC000615005691 364345127 /nfs/dbraw/zinc/34/51/27/364345127.db2.gz HNRBQTHJFBXFPL-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134810382 541360136 /nfs/dbraw/zinc/36/01/36/541360136.db2.gz AXSDKBLBUKYKNF-DVVUODLYSA-N 1 2 221.304 1.306 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1cc(C)on1 ZINC000181837830 366850251 /nfs/dbraw/zinc/85/02/51/366850251.db2.gz AJORBEDKTQGQOK-UHFFFAOYSA-N 1 2 244.258 1.213 20 0 BDADLO Cc1ccncc1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615159011 364551038 /nfs/dbraw/zinc/55/10/38/364551038.db2.gz XHDFOLQCKZYGOB-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO C[C@@H](NC(=O)[C@@]12C[C@@H]1COC2(C)C)c1[nH]cc[nH+]1 ZINC000615158226 364551746 /nfs/dbraw/zinc/55/17/46/364551746.db2.gz KYQNBTVHSDESIS-JRKPZEMJSA-N 1 2 249.314 1.402 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1c[nH]nc1C ZINC000615138855 364515845 /nfs/dbraw/zinc/51/58/45/364515845.db2.gz CBPCNVCYRWXTEO-JTQLQIEISA-N 1 2 225.292 1.102 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1c[nH]nc1C ZINC000615138855 364515855 /nfs/dbraw/zinc/51/58/55/364515855.db2.gz CBPCNVCYRWXTEO-JTQLQIEISA-N 1 2 225.292 1.102 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CCCOC2)o1 ZINC000551980111 364608866 /nfs/dbraw/zinc/60/88/66/364608866.db2.gz VRHFSHWEMZYERH-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCCOC2)o1 ZINC000551980111 364608872 /nfs/dbraw/zinc/60/88/72/364608872.db2.gz VRHFSHWEMZYERH-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO Cc1nocc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000630803471 364566875 /nfs/dbraw/zinc/56/68/75/364566875.db2.gz GABAIJXHFLFLLU-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000622237935 370783371 /nfs/dbraw/zinc/78/33/71/370783371.db2.gz WTEFBNFUAYEFTA-VQXHTEKXSA-N 1 2 247.342 1.677 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000622237935 370783375 /nfs/dbraw/zinc/78/33/75/370783375.db2.gz WTEFBNFUAYEFTA-VQXHTEKXSA-N 1 2 247.342 1.677 20 0 BDADLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)CO ZINC000573331234 364801996 /nfs/dbraw/zinc/80/19/96/364801996.db2.gz RHVYQZVOYPFCQV-MNOVXSKESA-N 1 2 239.319 1.064 20 0 BDADLO CCc1nnc(C[NH2+]Cc2occc2C)[nH]1 ZINC000296057423 364782197 /nfs/dbraw/zinc/78/21/97/364782197.db2.gz PBGSCKCZYYJJRN-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC000573536081 364855244 /nfs/dbraw/zinc/85/52/44/364855244.db2.gz JDBXDTCYEGETAZ-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1ncccn1 ZINC000573590955 364870189 /nfs/dbraw/zinc/87/01/89/364870189.db2.gz KRTXMXWFMNEREX-ZDUSSCGKSA-N 1 2 243.310 1.608 20 0 BDADLO C=Cn1cc(C[NH2+][C@H](C)c2nc(C)no2)cn1 ZINC000573649812 364883895 /nfs/dbraw/zinc/88/38/95/364883895.db2.gz QPYNHIHFJHQTLE-MRVPVSSYSA-N 1 2 233.275 1.526 20 0 BDADLO Nc1nc(N2CCC[C@@H]2CF)[nH+]c2ccccc12 ZINC000573694210 364894826 /nfs/dbraw/zinc/89/48/26/364894826.db2.gz XIZXWPUVVMFPSO-SECBINFHSA-N 1 2 246.289 1.981 20 0 BDADLO c1ccc2[nH]c(C[N@@H+]3CCCOCC3)nc2c1 ZINC000334189744 541412719 /nfs/dbraw/zinc/41/27/19/541412719.db2.gz HSTFDYNWKSXDNY-UHFFFAOYSA-N 1 2 231.299 1.785 20 0 BDADLO c1ccc2[nH]c(C[N@H+]3CCCOCC3)nc2c1 ZINC000334189744 541412720 /nfs/dbraw/zinc/41/27/20/541412720.db2.gz HSTFDYNWKSXDNY-UHFFFAOYSA-N 1 2 231.299 1.785 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@H](C(=O)[O-])C1 ZINC000573926668 364947529 /nfs/dbraw/zinc/94/75/29/364947529.db2.gz CBMZFOXKHHNENA-KOLCDFICSA-N 1 2 249.314 1.179 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@H](C(=O)[O-])C1 ZINC000573926668 364947539 /nfs/dbraw/zinc/94/75/39/364947539.db2.gz CBMZFOXKHHNENA-KOLCDFICSA-N 1 2 249.314 1.179 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCC1(C)C ZINC000336015309 541424373 /nfs/dbraw/zinc/42/43/73/541424373.db2.gz WZCNZZLFHJUSFU-LLVKDONJSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015259 541424750 /nfs/dbraw/zinc/42/47/50/541424750.db2.gz QFKUQWPUBBHZGX-VHSXEESVSA-N 1 2 221.304 1.473 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1noc(C)n1 ZINC000574044250 364975333 /nfs/dbraw/zinc/97/53/33/364975333.db2.gz DBFVCCHDEGDXGB-PSASIEDQSA-N 1 2 227.308 1.265 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1nc(C)[nH+]cc1C ZINC000574171351 365002252 /nfs/dbraw/zinc/00/22/52/365002252.db2.gz WEOVYYFGYSUEBD-GHMZBOCLSA-N 1 2 248.330 1.420 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000574283688 365028809 /nfs/dbraw/zinc/02/88/09/365028809.db2.gz HFMBJCKTGRUFIF-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000574283688 365028816 /nfs/dbraw/zinc/02/88/16/365028816.db2.gz HFMBJCKTGRUFIF-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO C[C@@H]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000574553915 365089688 /nfs/dbraw/zinc/08/96/88/365089688.db2.gz ZPTRTVYDDLPNSP-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO COC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCC1 ZINC000574860491 365160669 /nfs/dbraw/zinc/16/06/69/365160669.db2.gz WMUXQXNAIDARGY-UHFFFAOYSA-N 1 2 249.314 1.226 20 0 BDADLO CCc1nc(C)c(CNC(=O)Cn2cc[nH+]c2)o1 ZINC000574863807 365162190 /nfs/dbraw/zinc/16/21/90/365162190.db2.gz MTORHVDKPFFMPG-UHFFFAOYSA-N 1 2 248.286 1.058 20 0 BDADLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000442891100 193000802 /nfs/dbraw/zinc/00/08/02/193000802.db2.gz JATVOIFFEMMOJG-MFKMUULPSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000442891100 193000804 /nfs/dbraw/zinc/00/08/04/193000804.db2.gz JATVOIFFEMMOJG-MFKMUULPSA-N 1 2 240.347 1.154 20 0 BDADLO O=C(Nc1ccncc1)c1ccc2[nH+]ccn2c1 ZINC000068386039 370794286 /nfs/dbraw/zinc/79/42/86/370794286.db2.gz NFVSUHRTXCLFJS-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000574773369 365142476 /nfs/dbraw/zinc/14/24/76/365142476.db2.gz XUUKDRMQUUHUNH-JQWIXIFHSA-N 1 2 221.304 1.434 20 0 BDADLO COC[C@H]([NH2+]Cc1cncnc1)c1ccco1 ZINC000344832209 541453970 /nfs/dbraw/zinc/45/39/70/541453970.db2.gz OKZHCCXNNHXEKO-NSHDSACASA-N 1 2 233.271 1.547 20 0 BDADLO C[C@@H]([N@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000575203209 365242172 /nfs/dbraw/zinc/24/21/72/365242172.db2.gz UCMLPMFBCPJYEU-MRVPVSSYSA-N 1 2 211.313 1.077 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000575203209 365242180 /nfs/dbraw/zinc/24/21/80/365242180.db2.gz UCMLPMFBCPJYEU-MRVPVSSYSA-N 1 2 211.313 1.077 20 0 BDADLO COC(C)(C)CNC(=O)CCCn1cc[nH+]c1 ZINC000080719662 370808445 /nfs/dbraw/zinc/80/84/45/370808445.db2.gz HLOODGVODKBQDI-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)ns1 ZINC000444319654 193044346 /nfs/dbraw/zinc/04/43/46/193044346.db2.gz CZBCGXYCGUMHAM-UHFFFAOYSA-N 1 2 235.268 1.226 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000555224092 325750605 /nfs/dbraw/zinc/75/06/05/325750605.db2.gz ZUYUCRQUHDSQOT-NXEZZACHSA-N 1 2 207.277 1.140 20 0 BDADLO Cc1[nH+]cccc1Cn1cnc(C#N)c1C#N ZINC000379863929 365330842 /nfs/dbraw/zinc/33/08/42/365330842.db2.gz LQVQNRGXDOIGIZ-UHFFFAOYSA-N 1 2 223.239 1.378 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC(F)(F)C1 ZINC000575393924 365306208 /nfs/dbraw/zinc/30/62/08/365306208.db2.gz HFTGEHXNIPYCBY-SECBINFHSA-N 1 2 243.257 1.577 20 0 BDADLO CCc1cnc(C[N@H+](C)CCOCCOC)o1 ZINC000575704187 365339585 /nfs/dbraw/zinc/33/95/85/365339585.db2.gz WXFQSEPQHYLCHB-UHFFFAOYSA-N 1 2 242.319 1.332 20 0 BDADLO CCc1cnc(C[N@@H+](C)CCOCCOC)o1 ZINC000575704187 365339591 /nfs/dbraw/zinc/33/95/91/365339591.db2.gz WXFQSEPQHYLCHB-UHFFFAOYSA-N 1 2 242.319 1.332 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H](F)C1 ZINC000575876685 365402711 /nfs/dbraw/zinc/40/27/11/365402711.db2.gz GOFVERBHRYKCDG-VIFPVBQESA-N 1 2 225.267 1.303 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCCS1 ZINC000575816241 365373207 /nfs/dbraw/zinc/37/32/07/365373207.db2.gz NSIFFISSRQJODC-SNVBAGLBSA-N 1 2 223.345 1.823 20 0 BDADLO Cn1ccc(C[NH+]2CC3(CCC3(F)F)C2)n1 ZINC000575844112 365381218 /nfs/dbraw/zinc/38/12/18/365381218.db2.gz MOKCOAMKSPWUSS-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO CN(C)c1ccccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000173517054 365428343 /nfs/dbraw/zinc/42/83/43/365428343.db2.gz OOPFNNUJBQIIEJ-UHFFFAOYSA-N 1 2 247.342 1.027 20 0 BDADLO CN(C)c1ccccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000173517054 365428348 /nfs/dbraw/zinc/42/83/48/365428348.db2.gz OOPFNNUJBQIIEJ-UHFFFAOYSA-N 1 2 247.342 1.027 20 0 BDADLO COC[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579600037 366900736 /nfs/dbraw/zinc/90/07/36/366900736.db2.gz IORVSBPJUPISIS-GHMZBOCLSA-N 1 2 239.319 1.233 20 0 BDADLO CCCC[C@@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000340625737 365497313 /nfs/dbraw/zinc/49/73/13/365497313.db2.gz QJBAFEQIXAMTSD-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO CCC[C@H](C)[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000579844270 367046298 /nfs/dbraw/zinc/04/62/98/367046298.db2.gz QVZMJTUMVCDGGR-KWQFWETISA-N 1 2 239.319 1.245 20 0 BDADLO CC[C@H](O)CCNc1nc(C)[nH+]cc1C ZINC000579859039 367056497 /nfs/dbraw/zinc/05/64/97/367056497.db2.gz FOBOCHSWMVCDHM-JTQLQIEISA-N 1 2 209.293 1.088 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579992559 367117665 /nfs/dbraw/zinc/11/76/65/367117665.db2.gz DSKLGFJRCOHCGN-VHSXEESVSA-N 1 2 221.304 1.220 20 0 BDADLO CCN1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000185166087 367123783 /nfs/dbraw/zinc/12/37/83/367123783.db2.gz DWSCITUWTOHRNN-ZDUSSCGKSA-N 1 2 242.363 1.167 20 0 BDADLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H]3C2=O)c(C)[nH+]1 ZINC000185396486 367130289 /nfs/dbraw/zinc/13/02/89/367130289.db2.gz GDOAKSFMGORNCW-PHIMTYICSA-N 1 2 230.267 1.203 20 0 BDADLO Cc1c(F)cccc1C(=O)NCCn1cc[nH+]c1 ZINC000622308059 370835797 /nfs/dbraw/zinc/83/57/97/370835797.db2.gz UHWDZFVGFNEDAG-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CC2 ZINC000622309064 370837055 /nfs/dbraw/zinc/83/70/55/370837055.db2.gz BPGWIERPCFBENN-NXEZZACHSA-N 1 2 219.288 1.188 20 0 BDADLO CC[C@@H](C)[C@@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000580934521 367209312 /nfs/dbraw/zinc/20/93/12/367209312.db2.gz DZWUYCDXLDHRAT-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@]23CCNC3=O)o1 ZINC000580960564 367218674 /nfs/dbraw/zinc/21/86/74/367218674.db2.gz QWJGRLMSETXREB-CYBMUJFWSA-N 1 2 249.314 1.092 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@]23CCNC3=O)o1 ZINC000580960564 367218678 /nfs/dbraw/zinc/21/86/78/367218678.db2.gz QWJGRLMSETXREB-CYBMUJFWSA-N 1 2 249.314 1.092 20 0 BDADLO O=c1[nH]nc(C[NH2+][C@H](c2cccnc2)C2CC2)[nH]1 ZINC000581135311 367273614 /nfs/dbraw/zinc/27/36/14/367273614.db2.gz FUMDUTLJCLFNRO-NSHDSACASA-N 1 2 245.286 1.146 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000581171291 367283111 /nfs/dbraw/zinc/28/31/11/367283111.db2.gz TUDQMOFBCBHWNE-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000581171291 367283116 /nfs/dbraw/zinc/28/31/16/367283116.db2.gz TUDQMOFBCBHWNE-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO CC(C)(NC(=O)C1CCCC1)c1[nH]cc[nH+]1 ZINC000581077662 367257341 /nfs/dbraw/zinc/25/73/41/367257341.db2.gz MJHADSIRJYBENW-UHFFFAOYSA-N 1 2 221.304 1.951 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1nccs1 ZINC000194431716 367289622 /nfs/dbraw/zinc/28/96/22/367289622.db2.gz MTCIIAWOJNUDLS-UHFFFAOYSA-N 1 2 246.299 1.373 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565310607 325892429 /nfs/dbraw/zinc/89/24/29/325892429.db2.gz XNKBVRDPCGYCQX-RKDXNWHRSA-N 1 2 237.303 1.186 20 0 BDADLO Cc1cnc(CNc2cc[nH+]c(C(C)C)n2)nc1 ZINC000581439885 367472895 /nfs/dbraw/zinc/47/28/95/367472895.db2.gz MXCRHRFXTCODNJ-UHFFFAOYSA-N 1 2 243.314 1.732 20 0 BDADLO FC(F)(F)c1cc(CNc2c[nH]c[nH+]2)[nH]n1 ZINC000381800339 367459257 /nfs/dbraw/zinc/45/92/57/367459257.db2.gz DAPMYNJSJUCPEU-UHFFFAOYSA-N 1 2 231.181 1.764 20 0 BDADLO CCc1nc(C(=O)NCc2[nH]c[nH+]c2C)c(C)o1 ZINC000581479906 367512176 /nfs/dbraw/zinc/51/21/76/367512176.db2.gz NKPCDCQKDDHGGC-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CCc1nsc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382443059 367525263 /nfs/dbraw/zinc/52/52/63/367525263.db2.gz HCYYPVYBDZXYGR-JGVFFNPUSA-N 1 2 226.349 1.062 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000383274687 367611255 /nfs/dbraw/zinc/61/12/55/367611255.db2.gz HSDAMAJNEVRIPQ-GZMMTYOYSA-N 1 2 231.303 1.710 20 0 BDADLO CCc1nc(C[NH2+]C(COC)COC)cs1 ZINC000385245076 367812333 /nfs/dbraw/zinc/81/23/33/367812333.db2.gz WEEADMLMSSBIKQ-UHFFFAOYSA-N 1 2 244.360 1.457 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccncc1F ZINC000385236535 367812572 /nfs/dbraw/zinc/81/25/72/367812572.db2.gz PBCWXNLGPAYASO-UHFFFAOYSA-N 1 2 248.261 1.367 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC(C1CC1)C1CC1 ZINC000581744720 367806270 /nfs/dbraw/zinc/80/62/70/367806270.db2.gz JXLFTVQSBNIMCW-UHFFFAOYSA-N 1 2 247.342 1.515 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000385681336 367854397 /nfs/dbraw/zinc/85/43/97/367854397.db2.gz OANIEROTJWPROT-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000385681336 367854403 /nfs/dbraw/zinc/85/44/03/367854403.db2.gz OANIEROTJWPROT-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000581854652 367843909 /nfs/dbraw/zinc/84/39/09/367843909.db2.gz LUXAOWYKEVPKBQ-VIFPVBQESA-N 1 2 237.303 1.339 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000385634469 367850133 /nfs/dbraw/zinc/85/01/33/367850133.db2.gz JARVBESVLXVAAL-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000385634469 367850141 /nfs/dbraw/zinc/85/01/41/367850141.db2.gz JARVBESVLXVAAL-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@H](C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC)OC ZINC000386122745 367916092 /nfs/dbraw/zinc/91/60/92/367916092.db2.gz NHOMQLZPYUNQAO-HBNTYKKESA-N 1 2 231.336 1.589 20 0 BDADLO Cc1cc(C[NH+]2CC(O)C2)cc(C)c1O ZINC000581929639 367951508 /nfs/dbraw/zinc/95/15/08/367951508.db2.gz JHDJURCQHIDYPI-UHFFFAOYSA-N 1 2 207.273 1.186 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CCCO2)[nH+]1 ZINC000566363577 326037560 /nfs/dbraw/zinc/03/75/60/326037560.db2.gz PBHFEVXWFARJRI-SECBINFHSA-N 1 2 237.303 1.248 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](F)C1 ZINC000615747906 368239241 /nfs/dbraw/zinc/23/92/41/368239241.db2.gz ZGLXRWLWJKJIPZ-IUCAKERBSA-N 1 2 237.278 1.085 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](F)C1 ZINC000615747906 368239243 /nfs/dbraw/zinc/23/92/43/368239243.db2.gz ZGLXRWLWJKJIPZ-IUCAKERBSA-N 1 2 237.278 1.085 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]1C1CC1 ZINC000615686936 368204439 /nfs/dbraw/zinc/20/44/39/368204439.db2.gz WKRYDSZTKDOGDP-RYUDHWBXSA-N 1 2 245.326 1.456 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@H](C)[C@H](C)O1 ZINC000446065742 201666957 /nfs/dbraw/zinc/66/69/57/201666957.db2.gz CCKGUPJXLDTBBP-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@H](C)[C@H](C)O1 ZINC000446065742 201666960 /nfs/dbraw/zinc/66/69/60/201666960.db2.gz CCKGUPJXLDTBBP-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000446755603 201693329 /nfs/dbraw/zinc/69/33/29/201693329.db2.gz XCKPKWPLTJKBNR-QWRGUYRKSA-N 1 2 243.347 1.731 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000043626890 368404043 /nfs/dbraw/zinc/40/40/43/368404043.db2.gz JKVAWKKYHGCHQU-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000043626890 368404050 /nfs/dbraw/zinc/40/40/50/368404050.db2.gz JKVAWKKYHGCHQU-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO COCC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000056507943 368470280 /nfs/dbraw/zinc/47/02/80/368470280.db2.gz WPSHLBQMMRZLIO-UHFFFAOYSA-N 1 2 247.298 1.815 20 0 BDADLO COCC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000056507943 368470284 /nfs/dbraw/zinc/47/02/84/368470284.db2.gz WPSHLBQMMRZLIO-UHFFFAOYSA-N 1 2 247.298 1.815 20 0 BDADLO COCC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000056507918 368471733 /nfs/dbraw/zinc/47/17/33/368471733.db2.gz MFFPWBSOCTXICV-UHFFFAOYSA-N 1 2 248.286 1.210 20 0 BDADLO COCC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000056507918 368471734 /nfs/dbraw/zinc/47/17/34/368471734.db2.gz MFFPWBSOCTXICV-UHFFFAOYSA-N 1 2 248.286 1.210 20 0 BDADLO CCS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000058629731 368517667 /nfs/dbraw/zinc/51/76/67/368517667.db2.gz GTICFEMMOOXANA-UHFFFAOYSA-N 1 2 224.285 1.269 20 0 BDADLO CCN(CC)c1ccc(CNC(=O)C2CC2)c[nH+]1 ZINC000060832721 368553844 /nfs/dbraw/zinc/55/38/44/368553844.db2.gz UDEIOOIALXEPDD-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO CSCC(=O)NCCCCn1cc[nH+]c1 ZINC000060408214 368542011 /nfs/dbraw/zinc/54/20/11/368542011.db2.gz YNBVNWZLKZMGCX-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO Cc1cc(C(=O)NCCCCn2cc[nH+]c2)on1 ZINC000060408115 368542448 /nfs/dbraw/zinc/54/24/48/368542448.db2.gz OHSVIQOFBLQHAS-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C)COC1 ZINC000456348125 202935143 /nfs/dbraw/zinc/93/51/43/202935143.db2.gz IJSMTNCSAWSPNZ-SECBINFHSA-N 1 2 237.303 1.117 20 0 BDADLO C(c1nnc(C2CC2)o1)[NH+]1CCCCC1 ZINC000064030279 368599498 /nfs/dbraw/zinc/59/94/98/368599498.db2.gz MXKZICCJKXAVDF-UHFFFAOYSA-N 1 2 207.277 1.933 20 0 BDADLO Cc1ncsc1C[N@H+](C)CC(=O)N1CCC1 ZINC000066565324 368653993 /nfs/dbraw/zinc/65/39/93/368653993.db2.gz BASNKTLXAVKEJH-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1ncsc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000066565324 368653995 /nfs/dbraw/zinc/65/39/95/368653995.db2.gz BASNKTLXAVKEJH-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO c1csc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000109827666 368677413 /nfs/dbraw/zinc/67/74/13/368677413.db2.gz RSPPWCYVJGTLTB-UHFFFAOYSA-N 1 2 249.343 1.188 20 0 BDADLO O=C(/C=C\c1ccccc1)NCCn1cc[nH+]c1 ZINC000067182087 368680934 /nfs/dbraw/zinc/68/09/34/368680934.db2.gz QREQSCQRRIYTOY-SREVYHEPSA-N 1 2 241.294 1.713 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C2CCC2)n1 ZINC000457297712 203035486 /nfs/dbraw/zinc/03/54/86/203035486.db2.gz UWTJKJJWTLKEOO-UHFFFAOYSA-N 1 2 239.344 1.943 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2cc(C)on2)n1 ZINC000068806276 368736747 /nfs/dbraw/zinc/73/67/47/368736747.db2.gz WIZLGXJPZCKKCU-UHFFFAOYSA-N 1 2 248.330 1.928 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2cc(C)on2)n1 ZINC000068806276 368736753 /nfs/dbraw/zinc/73/67/53/368736753.db2.gz WIZLGXJPZCKKCU-UHFFFAOYSA-N 1 2 248.330 1.928 20 0 BDADLO Cc1nc(C[NH+]2CCSCC2)oc1C ZINC000069172178 368747860 /nfs/dbraw/zinc/74/78/60/368747860.db2.gz QJVVQVJNJVHBAP-UHFFFAOYSA-N 1 2 212.318 1.840 20 0 BDADLO Cc1c(F)cccc1NC(=O)Cn1cc[nH+]c1 ZINC000074254041 368835357 /nfs/dbraw/zinc/83/53/57/368835357.db2.gz JNBKUBWBPGRWJU-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000073005291 368788458 /nfs/dbraw/zinc/78/84/58/368788458.db2.gz HQNWCUDVXAWCNI-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)sn1 ZINC000616009998 368874949 /nfs/dbraw/zinc/87/49/49/368874949.db2.gz JGAMMYWCHLBFHS-VFZGTOFNSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)sn1 ZINC000616009998 368874950 /nfs/dbraw/zinc/87/49/50/368874950.db2.gz JGAMMYWCHLBFHS-VFZGTOFNSA-N 1 2 246.401 1.650 20 0 BDADLO CCC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000616194128 369024056 /nfs/dbraw/zinc/02/40/56/369024056.db2.gz ZONBLGOILWHDSZ-NSHDSACASA-N 1 2 233.315 1.314 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000054622395 369080265 /nfs/dbraw/zinc/08/02/65/369080265.db2.gz QQKCRGVNEAXVCI-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000054622395 369080268 /nfs/dbraw/zinc/08/02/68/369080268.db2.gz QQKCRGVNEAXVCI-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)[nH]1 ZINC000618025932 369055173 /nfs/dbraw/zinc/05/51/73/369055173.db2.gz NGHFGACVMMIGIS-SNVBAGLBSA-N 1 2 246.314 1.647 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854421 203114136 /nfs/dbraw/zinc/11/41/36/203114136.db2.gz KHVRTWKIEFVOEF-NWDGAFQWSA-N 1 2 235.331 1.371 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855326 203114288 /nfs/dbraw/zinc/11/42/88/203114288.db2.gz KWWVZXZMFIOKQW-QWRGUYRKSA-N 1 2 237.347 1.761 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000457876964 203116554 /nfs/dbraw/zinc/11/65/54/203116554.db2.gz USBBBCKJTCJKNY-AWEZNQCLSA-N 1 2 247.342 1.825 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CC(C)(C)C2)c1 ZINC000457876827 203116727 /nfs/dbraw/zinc/11/67/27/203116727.db2.gz UFEDICXQDOBBLJ-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)CC1(F)F ZINC000618596154 369180031 /nfs/dbraw/zinc/18/00/31/369180031.db2.gz DRZWGCIFXQOMPW-SECBINFHSA-N 1 2 229.230 1.045 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccc(C)o1 ZINC000459296003 203250840 /nfs/dbraw/zinc/25/08/40/203250840.db2.gz DZMKKFUGKWDPNZ-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000459296003 203250841 /nfs/dbraw/zinc/25/08/41/203250841.db2.gz DZMKKFUGKWDPNZ-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnnn2CC)CCO1 ZINC000459384818 203271690 /nfs/dbraw/zinc/27/16/90/203271690.db2.gz GXDGXRZJWHOLOB-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnnn2CC)CCO1 ZINC000459384818 203271692 /nfs/dbraw/zinc/27/16/92/203271692.db2.gz GXDGXRZJWHOLOB-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000459399464 203273158 /nfs/dbraw/zinc/27/31/58/203273158.db2.gz LZIVVQULNJFAKB-LBPRGKRZSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000459399464 203273160 /nfs/dbraw/zinc/27/31/60/203273160.db2.gz LZIVVQULNJFAKB-LBPRGKRZSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1nncc1C[N@H+](C)CCC(F)(F)F ZINC000459326791 203256957 /nfs/dbraw/zinc/25/69/57/203256957.db2.gz NKTHVWDRMYPZGK-UHFFFAOYSA-N 1 2 236.241 1.682 20 0 BDADLO CCn1nncc1C[N@@H+](C)CCC(F)(F)F ZINC000459326791 203256960 /nfs/dbraw/zinc/25/69/60/203256960.db2.gz NKTHVWDRMYPZGK-UHFFFAOYSA-N 1 2 236.241 1.682 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619359520 369323958 /nfs/dbraw/zinc/32/39/58/369323958.db2.gz ZXIBGQQJNXCGCS-GHMZBOCLSA-N 1 2 219.288 1.142 20 0 BDADLO COCCOC1C[NH+](Cc2ccccc2)C1 ZINC000459473432 203286777 /nfs/dbraw/zinc/28/67/77/203286777.db2.gz WVZVIZVOVSYCDO-UHFFFAOYSA-N 1 2 221.300 1.534 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459506500 203292800 /nfs/dbraw/zinc/29/28/00/203292800.db2.gz KUTWWMLRALFWBR-IDKOKCKLSA-N 1 2 213.321 1.962 20 0 BDADLO CCNC(=O)C1C[NH+](Cc2ncc(C)s2)C1 ZINC000459603389 203315421 /nfs/dbraw/zinc/31/54/21/203315421.db2.gz IAJOJUWNHFJQRN-UHFFFAOYSA-N 1 2 239.344 1.019 20 0 BDADLO CCOC1C[NH+](Cc2cnc3n[nH]c(C)c3c2)C1 ZINC000459615399 203315571 /nfs/dbraw/zinc/31/55/71/203315571.db2.gz XQTOSGOQEWXCSN-UHFFFAOYSA-N 1 2 246.314 1.487 20 0 BDADLO CCOC1C[NH+](Cc2ccc(CC)nc2)C1 ZINC000459613805 203317081 /nfs/dbraw/zinc/31/70/81/203317081.db2.gz VZVHFJVXHZIRQQ-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO COc1c(O)cccc1C[NH+]1CC(C)(CO)C1 ZINC000459622611 203318225 /nfs/dbraw/zinc/31/82/25/203318225.db2.gz PCRUEEOMHXYXSX-UHFFFAOYSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccc(OC)nc2)C1 ZINC000459625762 203320680 /nfs/dbraw/zinc/32/06/80/203320680.db2.gz SOLCHBOLLCUOIJ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COCC1(C)C[NH+](Cc2cncc(F)c2)C1 ZINC000459625518 203321405 /nfs/dbraw/zinc/32/14/05/203321405.db2.gz XBXCWOHOQHARFM-UHFFFAOYSA-N 1 2 224.279 1.689 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404533807 369431885 /nfs/dbraw/zinc/43/18/85/369431885.db2.gz YMCGDLGYIOGOEQ-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404533807 369431888 /nfs/dbraw/zinc/43/18/88/369431888.db2.gz YMCGDLGYIOGOEQ-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000459649906 203328008 /nfs/dbraw/zinc/32/80/08/203328008.db2.gz RZDHRAIWAAJHPZ-PHIMTYICSA-N 1 2 209.293 1.375 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC1CC1 ZINC000619513664 369455997 /nfs/dbraw/zinc/45/59/97/369455997.db2.gz TZEUJEQJKXVLHP-UWVGGRQHSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC1CC1 ZINC000619513664 369456001 /nfs/dbraw/zinc/45/60/01/369456001.db2.gz TZEUJEQJKXVLHP-UWVGGRQHSA-N 1 2 215.268 1.372 20 0 BDADLO CC/C=C/CC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513587 369456387 /nfs/dbraw/zinc/45/63/87/369456387.db2.gz RIHHJXTVGOKFEN-NNOMMRTBSA-N 1 2 229.295 1.928 20 0 BDADLO CC/C=C/CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513587 369456393 /nfs/dbraw/zinc/45/63/93/369456393.db2.gz RIHHJXTVGOKFEN-NNOMMRTBSA-N 1 2 229.295 1.928 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC1CC1)CC2 ZINC000623694964 369457241 /nfs/dbraw/zinc/45/72/41/369457241.db2.gz VXVXXCNUPDXSIN-LLVKDONJSA-N 1 2 233.315 1.280 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000622485551 370952921 /nfs/dbraw/zinc/95/29/21/370952921.db2.gz QLYBFDXVCDGKEH-SNVBAGLBSA-N 1 2 221.304 1.599 20 0 BDADLO CN(CCO)c1cc2ccccc2c[nH+]1 ZINC000631029444 370955226 /nfs/dbraw/zinc/95/52/26/370955226.db2.gz BPMMEWNOSHVKBP-UHFFFAOYSA-N 1 2 202.257 1.663 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459797733 203374695 /nfs/dbraw/zinc/37/46/95/203374695.db2.gz TUGFMWMHANLPJR-UWVGGRQHSA-N 1 2 238.360 1.378 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459797733 203374697 /nfs/dbraw/zinc/37/46/97/203374697.db2.gz TUGFMWMHANLPJR-UWVGGRQHSA-N 1 2 238.360 1.378 20 0 BDADLO C[C@@H](NC(=O)c1cccs1)c1[nH+]ccn1C ZINC000082281370 370979789 /nfs/dbraw/zinc/97/97/89/370979789.db2.gz XQLUSIIJYRBJNF-MRVPVSSYSA-N 1 2 235.312 1.973 20 0 BDADLO CC(C)C(=O)NCC[N@H+](C)Cc1cscn1 ZINC000157460122 326276471 /nfs/dbraw/zinc/27/64/71/326276471.db2.gz CKZWIXMZLIEOTF-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cscn1 ZINC000157460122 326276472 /nfs/dbraw/zinc/27/64/72/326276472.db2.gz CKZWIXMZLIEOTF-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO O=C(NCC1=CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000620006995 369662948 /nfs/dbraw/zinc/66/29/48/369662948.db2.gz KAYVWSUOAYETKF-LBPRGKRZSA-N 1 2 245.326 1.672 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C1CC1)C1CC1 ZINC000620025373 369672380 /nfs/dbraw/zinc/67/23/80/369672380.db2.gz OLJMXZXEVUWWIW-UHFFFAOYSA-N 1 2 247.342 1.658 20 0 BDADLO Cc1nnsc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000567989960 326292724 /nfs/dbraw/zinc/29/27/24/326292724.db2.gz WCXCYNDDFKMHTD-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1nnsc1C[N@H+](C)[C@@H]1CCOC1 ZINC000567989960 326292726 /nfs/dbraw/zinc/29/27/26/326292726.db2.gz WCXCYNDDFKMHTD-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H](C)C(=O)[O-] ZINC000568060842 326302027 /nfs/dbraw/zinc/30/20/27/326302027.db2.gz QPAHIOMHGNMHNA-NWDGAFQWSA-N 1 2 242.363 1.417 20 0 BDADLO CC(C)CC1(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000620284365 369800167 /nfs/dbraw/zinc/80/01/67/369800167.db2.gz SKDPPOUUPXNGGF-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCc1ccco1 ZINC000620363448 369852757 /nfs/dbraw/zinc/85/27/57/369852757.db2.gz XOVJKUFFFUSNAN-UHFFFAOYSA-N 1 2 247.298 1.615 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000620368421 369856051 /nfs/dbraw/zinc/85/60/51/369856051.db2.gz JLERICUUWCXZQD-RKDXNWHRSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000620368421 369856054 /nfs/dbraw/zinc/85/60/54/369856054.db2.gz JLERICUUWCXZQD-RKDXNWHRSA-N 1 2 239.319 1.938 20 0 BDADLO C[C@@H](NC(=O)CCC1CC1)c1[nH+]ccn1C ZINC000620599325 369948794 /nfs/dbraw/zinc/94/87/94/369948794.db2.gz DUMILWJAJMOVNR-SECBINFHSA-N 1 2 221.304 1.788 20 0 BDADLO C[C@H](NC(=O)c1cncc(F)c1)c1[nH+]ccn1C ZINC000620603072 369950579 /nfs/dbraw/zinc/95/05/79/369950579.db2.gz HBGHLJSWWUHBOQ-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@@H](NC(=O)CC1(C)CC1)c1[nH+]ccn1C ZINC000620605318 369952837 /nfs/dbraw/zinc/95/28/37/369952837.db2.gz AMFAOAAIQFUTQZ-SECBINFHSA-N 1 2 221.304 1.788 20 0 BDADLO CC[C@@](C)(CO)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620610482 369956700 /nfs/dbraw/zinc/95/67/00/369956700.db2.gz XAGQPYRJKDCZEL-CABZTGNLSA-N 1 2 239.319 1.006 20 0 BDADLO CCn1cnc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000620608946 369956788 /nfs/dbraw/zinc/95/67/88/369956788.db2.gz QBIQZYSVVZKLLE-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO CCc1nocc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620609585 369957047 /nfs/dbraw/zinc/95/70/47/369957047.db2.gz BSNJNLWPZBNDFY-MRVPVSSYSA-N 1 2 248.286 1.462 20 0 BDADLO C[C@H](NC(=O)C[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000620597534 369947774 /nfs/dbraw/zinc/94/77/74/369947774.db2.gz WXOLAZORXHYTHE-UWVGGRQHSA-N 1 2 237.303 1.166 20 0 BDADLO C[C@@H]1[C@H](C)SCCN1C(=O)Cn1cc[nH+]c1 ZINC000074679676 370003043 /nfs/dbraw/zinc/00/30/43/370003043.db2.gz QQQIDPCXTJDIJF-ZJUUUORDSA-N 1 2 239.344 1.236 20 0 BDADLO CCCCNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621243140 370176487 /nfs/dbraw/zinc/17/64/87/370176487.db2.gz MKHHQWCHEJIUOU-UHFFFAOYSA-N 1 2 233.275 1.220 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000621214719 370159372 /nfs/dbraw/zinc/15/93/72/370159372.db2.gz GRRUYYOTJXSHAA-CVZZAPKMSA-N 1 2 245.326 1.456 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC2CC1(C)C2 ZINC000621216559 370162277 /nfs/dbraw/zinc/16/22/77/370162277.db2.gz RQSZMPYWEIMRJP-UHFFFAOYSA-N 1 2 233.315 1.364 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)ccn1 ZINC000621270863 370199873 /nfs/dbraw/zinc/19/98/73/370199873.db2.gz NMPKRJBJUHQEHP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cn[nH]c3C2)ccn1 ZINC000621269085 370200799 /nfs/dbraw/zinc/20/07/99/370200799.db2.gz IZZNNDIRHBDIJG-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cn[nH]c3C2)ccn1 ZINC000621269085 370200801 /nfs/dbraw/zinc/20/08/01/370200801.db2.gz IZZNNDIRHBDIJG-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)C(C)(C)C ZINC000309832173 370259357 /nfs/dbraw/zinc/25/93/57/370259357.db2.gz KYMWZERJIKVMGA-VHSXEESVSA-N 1 2 231.336 1.181 20 0 BDADLO COc1cc(C)nc(CNc2c[nH]c[nH+]2)c1 ZINC000309874837 370271065 /nfs/dbraw/zinc/27/10/65/370271065.db2.gz SDAHEDKAQPLATD-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO CSC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309885850 370272009 /nfs/dbraw/zinc/27/20/09/370272009.db2.gz YFRGMAUCQSCHOI-SSDOTTSWSA-N 1 2 241.364 1.409 20 0 BDADLO CSC[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309885850 370272012 /nfs/dbraw/zinc/27/20/12/370272012.db2.gz YFRGMAUCQSCHOI-SSDOTTSWSA-N 1 2 241.364 1.409 20 0 BDADLO CCNC(=O)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000112298535 370275172 /nfs/dbraw/zinc/27/51/72/370275172.db2.gz JTPWZASSXVOQMV-UHFFFAOYSA-N 1 2 235.287 1.245 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H]1CC1(F)F ZINC000621346692 370281415 /nfs/dbraw/zinc/28/14/15/370281415.db2.gz WKQVJXUBUSEXFV-QMMMGPOBSA-N 1 2 243.257 1.673 20 0 BDADLO COCC(C)(C)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000076494651 370298807 /nfs/dbraw/zinc/29/88/07/370298807.db2.gz LKJKYPQFQCYVKF-UHFFFAOYSA-N 1 2 241.335 1.882 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)s1 ZINC000621372714 370310870 /nfs/dbraw/zinc/31/08/70/370310870.db2.gz ZZKJJNGLCSARDK-WCBMZHEXSA-N 1 2 241.360 1.297 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)s1 ZINC000621372714 370310875 /nfs/dbraw/zinc/31/08/75/370310875.db2.gz ZZKJJNGLCSARDK-WCBMZHEXSA-N 1 2 241.360 1.297 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373437 370312928 /nfs/dbraw/zinc/31/29/28/370312928.db2.gz IIKVQUIDDKZJRY-UTLUCORTSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373437 370312930 /nfs/dbraw/zinc/31/29/30/370312930.db2.gz IIKVQUIDDKZJRY-UTLUCORTSA-N 1 2 241.360 1.549 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621475162 370368551 /nfs/dbraw/zinc/36/85/51/370368551.db2.gz YTNYOVIEHSTCMW-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO NC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621405236 370341692 /nfs/dbraw/zinc/34/16/92/370341692.db2.gz ONSZPHWNSWMPPG-SECBINFHSA-N 1 2 220.263 1.275 20 0 BDADLO CC(C)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077188815 370398585 /nfs/dbraw/zinc/39/85/85/370398585.db2.gz DVVVKXJXYYEYRO-UHFFFAOYSA-N 1 2 217.276 1.507 20 0 BDADLO Cc1n[nH]cc1Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000077213664 370401037 /nfs/dbraw/zinc/40/10/37/370401037.db2.gz BURLNRLUIUFTRZ-UHFFFAOYSA-N 1 2 241.258 1.437 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(O)cc1 ZINC000094687840 370447366 /nfs/dbraw/zinc/44/73/66/370447366.db2.gz BYMSDOAHUOQNAR-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(O)cc1 ZINC000094687840 370447371 /nfs/dbraw/zinc/44/73/71/370447371.db2.gz BYMSDOAHUOQNAR-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1cn[nH]c1 ZINC000621716991 370466341 /nfs/dbraw/zinc/46/63/41/370466341.db2.gz TUOZWXUGZAHMNT-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000621716991 370466345 /nfs/dbraw/zinc/46/63/45/370466345.db2.gz TUOZWXUGZAHMNT-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)[C@H]1C ZINC000621900728 370589716 /nfs/dbraw/zinc/58/97/16/370589716.db2.gz FYYYZIBATBXJEQ-ZJUUUORDSA-N 1 2 235.331 1.944 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069890267 370993407 /nfs/dbraw/zinc/99/34/07/370993407.db2.gz FLRXCUFGXJYNAQ-RKDXNWHRSA-N 1 2 215.293 1.095 20 0 BDADLO CC(C)(C(=O)N1CCC(F)(F)C1)c1c[nH+]c[nH]1 ZINC000621943576 370612476 /nfs/dbraw/zinc/61/24/76/370612476.db2.gz GFUWNGPVUGGWTP-UHFFFAOYSA-N 1 2 243.257 1.555 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cnccn2)c[nH+]1 ZINC000622667586 371047426 /nfs/dbraw/zinc/04/74/26/371047426.db2.gz LYHICXHHKLXPCH-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@H](C)CO)[nH+]1 ZINC000631050137 371097185 /nfs/dbraw/zinc/09/71/85/371097185.db2.gz DMEQLTSIBFYJNJ-MRVPVSSYSA-N 1 2 234.303 1.296 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cn(C)nn2)o1 ZINC000389815095 371176636 /nfs/dbraw/zinc/17/66/36/371176636.db2.gz NQBFTTTYMKZTTP-CABZTGNLSA-N 1 2 246.314 1.821 20 0 BDADLO Cc1occc1CNc1cc(C)[nH+]cn1 ZINC000389918813 371182564 /nfs/dbraw/zinc/18/25/64/371182564.db2.gz ORBSJKJMJLHDSN-UHFFFAOYSA-N 1 2 203.245 1.720 20 0 BDADLO CCNC(=O)CN(C)c1cc2ccccc2c[nH+]1 ZINC000631064440 371245027 /nfs/dbraw/zinc/24/50/27/371245027.db2.gz CVVZBCTZBGSZCK-UHFFFAOYSA-N 1 2 243.310 1.807 20 0 BDADLO CCc1cc(N[C@@H]2CCCCNC2=O)nc[nH+]1 ZINC000391616217 371311723 /nfs/dbraw/zinc/31/17/23/371311723.db2.gz GPMRYZAVJGWBBX-SNVBAGLBSA-N 1 2 234.303 1.120 20 0 BDADLO C[C@H](C[S@@](C)=O)Nc1nc[nH+]c2c1CCC2 ZINC000164227017 326411335 /nfs/dbraw/zinc/41/13/35/326411335.db2.gz ISXIXAOJLFMOGW-BCTVWOGZSA-N 1 2 239.344 1.144 20 0 BDADLO C/C=C\CNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000624165883 371360341 /nfs/dbraw/zinc/36/03/41/371360341.db2.gz MPTCXGLOEKPNQT-AYYIZTPMSA-N 1 2 236.319 1.839 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1nnc2ccccn21 ZINC000624211748 371398156 /nfs/dbraw/zinc/39/81/56/371398156.db2.gz BUSFEYULVXOHOC-VIFPVBQESA-N 1 2 242.286 1.303 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)[C@@H]1CCCO1 ZINC000624515070 371524357 /nfs/dbraw/zinc/52/43/57/371524357.db2.gz BTJIRHFFWLHMKC-ZJUUUORDSA-N 1 2 238.287 1.042 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000627369518 371587337 /nfs/dbraw/zinc/58/73/37/371587337.db2.gz WJAFCOQLSIRXQJ-LURJTMIESA-N 1 2 247.220 1.493 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000627369518 371587339 /nfs/dbraw/zinc/58/73/39/371587339.db2.gz WJAFCOQLSIRXQJ-LURJTMIESA-N 1 2 247.220 1.493 20 0 BDADLO O=C(C1CC2(CCC2)C1)N1CCc2[nH]c[nH+]c2C1 ZINC000627374138 371591886 /nfs/dbraw/zinc/59/18/86/371591886.db2.gz LDZBXRXBJAWXID-UHFFFAOYSA-N 1 2 245.326 1.875 20 0 BDADLO O=C(C1CC2(CCC2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000627374138 371591893 /nfs/dbraw/zinc/59/18/93/371591893.db2.gz LDZBXRXBJAWXID-UHFFFAOYSA-N 1 2 245.326 1.875 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC1(O)CCC1 ZINC000631157198 372211633 /nfs/dbraw/zinc/21/16/33/372211633.db2.gz VVJLNUDWLORTHM-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO C[C@@H]1C[C@H](Nc2c[nH+]cc(N(C)C)c2)CO1 ZINC000631202977 372233953 /nfs/dbraw/zinc/23/39/53/372233953.db2.gz GLDCWNFFGCHRRP-KOLCDFICSA-N 1 2 221.304 1.737 20 0 BDADLO Cc1nc(N2CCCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631213151 372237184 /nfs/dbraw/zinc/23/71/84/372237184.db2.gz KSVYCHSAPMHBAV-MRVPVSSYSA-N 1 2 221.308 1.219 20 0 BDADLO Cc1nc(N)nc(N2CCCC[C@@H](C)C2)[nH+]1 ZINC000631213151 372237188 /nfs/dbraw/zinc/23/71/88/372237188.db2.gz KSVYCHSAPMHBAV-MRVPVSSYSA-N 1 2 221.308 1.219 20 0 BDADLO Cc1c[nH]c(CNc2cnc(C)c(C(N)=O)c2)[nH+]1 ZINC000631226798 372248983 /nfs/dbraw/zinc/24/89/83/372248983.db2.gz PTFJLLZPDKTKDT-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(C(F)F)CCC1 ZINC000631239076 372254851 /nfs/dbraw/zinc/25/48/51/372254851.db2.gz OLIODVMKKVIDPQ-UHFFFAOYSA-N 1 2 229.230 1.461 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1conc1C ZINC000631293824 372279726 /nfs/dbraw/zinc/27/97/26/372279726.db2.gz HNKXBACIDIXWIX-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO Cc1cc(N[C@H](C)c2nccc(N)n2)nc[nH+]1 ZINC000631355595 372311298 /nfs/dbraw/zinc/31/12/98/372311298.db2.gz PLSFLNUMZVUEJQ-MRVPVSSYSA-N 1 2 230.275 1.161 20 0 BDADLO CC(C)(CNc1ncc(F)cn1)n1cc[nH+]c1 ZINC000631368814 372317180 /nfs/dbraw/zinc/31/71/80/372317180.db2.gz VRLQAGLKDJXEEO-UHFFFAOYSA-N 1 2 235.266 1.659 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC(C)(C)F)[nH+]1 ZINC000631407581 372342153 /nfs/dbraw/zinc/34/21/53/372342153.db2.gz ICHFIGCQAWBGOG-UHFFFAOYSA-N 1 2 222.267 1.848 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCCC23CC3)[nH+]1 ZINC000631419446 372350698 /nfs/dbraw/zinc/35/06/98/372350698.db2.gz UXEBJWOZBQACNI-JTQLQIEISA-N 1 2 247.346 1.413 20 0 BDADLO Cc1nc(N[C@H]2CCCC23CC3)nc(N(C)C)[nH+]1 ZINC000631419446 372350707 /nfs/dbraw/zinc/35/07/07/372350707.db2.gz UXEBJWOZBQACNI-JTQLQIEISA-N 1 2 247.346 1.413 20 0 BDADLO Cc1cc(N2CCO[C@H](C(F)F)CC2)nc[nH+]1 ZINC000631480538 372385924 /nfs/dbraw/zinc/38/59/24/372385924.db2.gz BUBVQWWLSZRBRZ-VIFPVBQESA-N 1 2 243.257 1.645 20 0 BDADLO COc1cccnc1C(=O)NCc1[nH]c[nH+]c1C ZINC000631594971 372447451 /nfs/dbraw/zinc/44/74/51/372447451.db2.gz PUTZUWRALMGCJK-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c(C)c[nH+]1 ZINC000632023982 372729023 /nfs/dbraw/zinc/72/90/23/372729023.db2.gz ZRMFDHCPNALSIH-SDDRHHMPSA-N 1 2 248.326 1.872 20 0 BDADLO CC[C@@H](C)Cc1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000632249505 372830855 /nfs/dbraw/zinc/83/08/55/372830855.db2.gz OUUAMUNRIIINBA-ZJUUUORDSA-N 1 2 239.319 1.661 20 0 BDADLO CC[C@@H](C)Cc1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000632249505 372830864 /nfs/dbraw/zinc/83/08/64/372830864.db2.gz OUUAMUNRIIINBA-ZJUUUORDSA-N 1 2 239.319 1.661 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000171991112 372848316 /nfs/dbraw/zinc/84/83/16/372848316.db2.gz NRZIAHROBPNVTO-SECBINFHSA-N 1 2 220.263 1.100 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171991112 372848325 /nfs/dbraw/zinc/84/83/25/372848325.db2.gz NRZIAHROBPNVTO-SECBINFHSA-N 1 2 220.263 1.100 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000171994197 372850679 /nfs/dbraw/zinc/85/06/79/372850679.db2.gz OUVOXRJONIQVCP-SECBINFHSA-N 1 2 230.262 1.255 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000171994197 372850683 /nfs/dbraw/zinc/85/06/83/372850683.db2.gz OUVOXRJONIQVCP-SECBINFHSA-N 1 2 230.262 1.255 20 0 BDADLO O=C(COCc1[nH]cc[nH+]1)Nc1cccc(F)c1 ZINC000123834246 182000410 /nfs/dbraw/zinc/00/04/10/182000410.db2.gz SJWRDJIXHWTOPX-UHFFFAOYSA-N 1 2 249.245 1.704 20 0 BDADLO Cn1cc([C@@H]2CC[N@H+](CC(F)F)C2)cn1 ZINC000172057883 372861265 /nfs/dbraw/zinc/86/12/65/372861265.db2.gz BHZWLPYPZJBESZ-MRVPVSSYSA-N 1 2 215.247 1.475 20 0 BDADLO Cn1cc([C@@H]2CC[N@@H+](CC(F)F)C2)cn1 ZINC000172057883 372861272 /nfs/dbraw/zinc/86/12/72/372861272.db2.gz BHZWLPYPZJBESZ-MRVPVSSYSA-N 1 2 215.247 1.475 20 0 BDADLO O=C(C[C@H]1CCCCO1)Nc1cc[nH+]cc1O ZINC000131994982 182027463 /nfs/dbraw/zinc/02/74/63/182027463.db2.gz IRWOZUHQKKSVPL-SECBINFHSA-N 1 2 236.271 1.685 20 0 BDADLO CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(F)F)CC2 ZINC000172588690 373018670 /nfs/dbraw/zinc/01/86/70/373018670.db2.gz CMYFPHJLOKRSED-ZJUUUORDSA-N 1 2 249.301 1.503 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1CCCCC1 ZINC000076830213 182071598 /nfs/dbraw/zinc/07/15/98/182071598.db2.gz HBWKQOCQNOUHDC-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC2(CCC2)C1 ZINC000268260753 182071260 /nfs/dbraw/zinc/07/12/60/182071260.db2.gz DBHZADUOCCOLOV-UHFFFAOYSA-N 1 2 219.288 1.286 20 0 BDADLO O=C(Cn1cccn1)Nc1cccc2[nH+]ccn21 ZINC000358767615 182069986 /nfs/dbraw/zinc/06/99/86/182069986.db2.gz OMLZLQNIBPCPFQ-UHFFFAOYSA-N 1 2 241.254 1.170 20 0 BDADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000060148671 182079888 /nfs/dbraw/zinc/07/98/88/182079888.db2.gz BGRQAJCSPDPTQQ-UHFFFAOYSA-N 1 2 247.220 1.678 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccoc1 ZINC000632930691 373225446 /nfs/dbraw/zinc/22/54/46/373225446.db2.gz WTOBEXGUJPFXDX-UHFFFAOYSA-N 1 2 234.259 1.344 20 0 BDADLO CCOC(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000633139129 373303863 /nfs/dbraw/zinc/30/38/63/373303863.db2.gz DFISHBFNKMQVNC-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO O=C(NC1CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000119040778 182096159 /nfs/dbraw/zinc/09/61/59/182096159.db2.gz UUPFVUCGVMPTFW-GFCCVEGCSA-N 1 2 247.298 1.407 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H](C)O[C@H]1C)c1[nH]cc[nH+]1 ZINC000633169888 373319939 /nfs/dbraw/zinc/31/99/39/373319939.db2.gz GAKFQAKJJFGJRE-IMSYWVGJSA-N 1 2 237.303 1.400 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364277890 182105652 /nfs/dbraw/zinc/10/56/52/182105652.db2.gz AXJCBFHRLNUEEB-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO O=C(NC1CCC1)c1ccc2[nH+]ccn2c1 ZINC000264547672 182106256 /nfs/dbraw/zinc/10/62/56/182106256.db2.gz SEHHJLGYAGVVMT-UHFFFAOYSA-N 1 2 215.256 1.617 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]1C(F)F ZINC000633234808 373382606 /nfs/dbraw/zinc/38/26/06/373382606.db2.gz DZDROGGYTAVEKP-QMMMGPOBSA-N 1 2 229.230 1.208 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]1C(F)F ZINC000633234808 373382609 /nfs/dbraw/zinc/38/26/09/373382609.db2.gz DZDROGGYTAVEKP-QMMMGPOBSA-N 1 2 229.230 1.208 20 0 BDADLO CC(C)(C(=O)N1CC[C@@H]1C(F)F)c1c[nH+]c[nH]1 ZINC000633239293 373393901 /nfs/dbraw/zinc/39/39/01/373393901.db2.gz FANLIRAOZZIJJH-SSDOTTSWSA-N 1 2 243.257 1.553 20 0 BDADLO CC[C@H](O)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000633286198 373451006 /nfs/dbraw/zinc/45/10/06/373451006.db2.gz DNVUKLRPQHAOQM-ZJUUUORDSA-N 1 2 239.319 1.241 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCCO ZINC000633290313 373452117 /nfs/dbraw/zinc/45/21/17/373452117.db2.gz SDHQFOCTFOVUGC-JTQLQIEISA-N 1 2 239.319 1.243 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000633289091 373453020 /nfs/dbraw/zinc/45/30/20/373453020.db2.gz MBQSABASDBGPOB-QWRGUYRKSA-N 1 2 248.330 1.597 20 0 BDADLO C/C=C\CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633373518 373503386 /nfs/dbraw/zinc/50/33/86/373503386.db2.gz OIPJRJCFLZZPEI-ARJAWSKDSA-N 1 2 208.265 1.127 20 0 BDADLO O=C(NCC1CC1)Nc1ccn2cc[nH+]c2c1 ZINC000280983287 182139356 /nfs/dbraw/zinc/13/93/56/182139356.db2.gz LJMVXXBFWSHBRV-UHFFFAOYSA-N 1 2 230.271 1.866 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)[C@@H]1CCCO1 ZINC000182344485 205673959 /nfs/dbraw/zinc/67/39/59/205673959.db2.gz HYUOTXGPCJFWOS-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153083030 182154387 /nfs/dbraw/zinc/15/43/87/182154387.db2.gz UWGBEWMPQUHTIN-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC12CC2 ZINC000633780588 373755101 /nfs/dbraw/zinc/75/51/01/373755101.db2.gz PJJBKZLLFLNSTF-GFCCVEGCSA-N 1 2 247.342 1.802 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)OC1CCCC1 ZINC000295359081 182177022 /nfs/dbraw/zinc/17/70/22/182177022.db2.gz RJPBMKHTJAMGIQ-UHFFFAOYSA-N 1 2 237.303 1.942 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@]12C[C@@H]1CCCC2 ZINC000634089595 373958046 /nfs/dbraw/zinc/95/80/46/373958046.db2.gz KUXPPAXFZVVDEU-GWCFXTLKSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@]12C[C@@H]1CCCC2 ZINC000634089595 373958053 /nfs/dbraw/zinc/95/80/53/373958053.db2.gz KUXPPAXFZVVDEU-GWCFXTLKSA-N 1 2 233.315 1.791 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000634090097 373958091 /nfs/dbraw/zinc/95/80/91/373958091.db2.gz NGGLUHDVBGSIJM-FZMZJTMJSA-N 1 2 247.342 1.802 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccccn1 ZINC000456343092 205834362 /nfs/dbraw/zinc/83/43/62/205834362.db2.gz GJUHYPGTZVLQOD-SNVBAGLBSA-N 1 2 244.298 1.789 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C12CCC(CC1)C2 ZINC000342196525 182215790 /nfs/dbraw/zinc/21/57/90/182215790.db2.gz XONLMFRHEXNGIA-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO CC[NH2+][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000189828455 205882064 /nfs/dbraw/zinc/88/20/64/205882064.db2.gz CFXVNEYMDKVTQP-JOYOIKCWSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(NC[C@@H]1CC=CCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375435238 182223000 /nfs/dbraw/zinc/22/30/00/182223000.db2.gz FYBYVMBFWCULDD-NXEZZACHSA-N 1 2 244.285 1.456 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1Cc2ccccc21 ZINC000358033190 182216825 /nfs/dbraw/zinc/21/68/25/182216825.db2.gz KKEFEULPAQWKLR-ZDUSSCGKSA-N 1 2 241.294 1.339 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccco1 ZINC000041392455 374138177 /nfs/dbraw/zinc/13/81/77/374138177.db2.gz XVORDEHYRSGXSF-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccco1 ZINC000041392455 374138182 /nfs/dbraw/zinc/13/81/82/374138182.db2.gz XVORDEHYRSGXSF-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000372309975 182252417 /nfs/dbraw/zinc/25/24/17/182252417.db2.gz QLPYNZIWCSMNEZ-JTQLQIEISA-N 1 2 244.298 1.090 20 0 BDADLO C=Cn1cc(CNc2cccc[nH+]2)cn1 ZINC000194241827 206004337 /nfs/dbraw/zinc/00/43/37/206004337.db2.gz RNZMZIRKECCYJS-UHFFFAOYSA-N 1 2 200.245 1.991 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CCC(F)(F)CC1 ZINC000160994602 182272181 /nfs/dbraw/zinc/27/21/81/182272181.db2.gz NTGQUPNEEDVIBN-UHFFFAOYSA-N 1 2 243.257 1.851 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ncn1 ZINC000428231089 206057233 /nfs/dbraw/zinc/05/72/33/206057233.db2.gz JHBKAFWJCRYWOU-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ncn1 ZINC000428231089 206057237 /nfs/dbraw/zinc/05/72/37/206057237.db2.gz JHBKAFWJCRYWOU-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCSC ZINC000194422586 206091836 /nfs/dbraw/zinc/09/18/36/206091836.db2.gz ARTQTSKMCGTGFO-UHFFFAOYSA-N 1 2 223.305 1.231 20 0 BDADLO CCSCCn1ncc2c1nc[nH+]c2NC ZINC000194415421 206090653 /nfs/dbraw/zinc/09/06/53/206090653.db2.gz WEASBDPNRVVXAD-UHFFFAOYSA-N 1 2 237.332 1.621 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000445666723 206084707 /nfs/dbraw/zinc/08/47/07/206084707.db2.gz OZHWHHZORASMHW-LPEHRKFASA-N 1 2 221.304 1.787 20 0 BDADLO Cc1cc(N2C[C@H](C)O[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000445673918 206084937 /nfs/dbraw/zinc/08/49/37/206084937.db2.gz GVLRFVPWSHJYCF-AXFHLTTASA-N 1 2 221.304 1.787 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000194489208 206092831 /nfs/dbraw/zinc/09/28/31/206092831.db2.gz RWAPPRBGOXTPJC-JOYOIKCWSA-N 1 2 229.320 1.343 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000194489196 206092891 /nfs/dbraw/zinc/09/28/91/206092891.db2.gz RWAPPRBGOXTPJC-BXKDBHETSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)o1 ZINC000447870834 206093119 /nfs/dbraw/zinc/09/31/19/206093119.db2.gz FTQDYBAXIPYEBS-SECBINFHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)o1 ZINC000447870834 206093123 /nfs/dbraw/zinc/09/31/23/206093123.db2.gz FTQDYBAXIPYEBS-SECBINFHSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000457406557 206121637 /nfs/dbraw/zinc/12/16/37/206121637.db2.gz NRLGJXJLVADIIK-VIFPVBQESA-N 1 2 224.308 1.060 20 0 BDADLO COCCOC1C[NH+](Cc2ccsc2C)C1 ZINC000459465224 206127550 /nfs/dbraw/zinc/12/75/50/206127550.db2.gz NSIGONFHGFNGBI-UHFFFAOYSA-N 1 2 241.356 1.904 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000169798187 182343315 /nfs/dbraw/zinc/34/33/15/182343315.db2.gz PKFCANWQDJJTLE-VIFPVBQESA-N 1 2 231.255 1.221 20 0 BDADLO COC1C[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000459580101 206136406 /nfs/dbraw/zinc/13/64/06/206136406.db2.gz KECCTQPFGNNZRS-UHFFFAOYSA-N 1 2 247.342 1.512 20 0 BDADLO O=C(Nc1cccnc1)N1CCn2c[nH+]cc2C1 ZINC000289995440 182382588 /nfs/dbraw/zinc/38/25/88/182382588.db2.gz XTCUBASIVGIXOL-UHFFFAOYSA-N 1 2 243.270 1.326 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCCCO1 ZINC000290576668 182385023 /nfs/dbraw/zinc/38/50/23/182385023.db2.gz FOKBJRVVOPOWFV-UHFFFAOYSA-N 1 2 246.270 1.894 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CC1(F)F ZINC000297697967 182385344 /nfs/dbraw/zinc/38/53/44/182385344.db2.gz ICAHPWUEOFHNNX-MRVPVSSYSA-N 1 2 237.209 1.928 20 0 BDADLO O=C(Nc1ncccc1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000280140340 182399089 /nfs/dbraw/zinc/39/90/89/182399089.db2.gz HAGDIAHYERYTNG-JTQLQIEISA-N 1 2 247.298 1.353 20 0 BDADLO O=C(Nc1ncccc1O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000280140340 182399092 /nfs/dbraw/zinc/39/90/92/182399092.db2.gz HAGDIAHYERYTNG-JTQLQIEISA-N 1 2 247.298 1.353 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCC3)on1 ZINC000178487876 134307161 /nfs/dbraw/zinc/30/71/61/134307161.db2.gz GNFQMFXFYNSMGS-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCC3)on1 ZINC000178487876 134307162 /nfs/dbraw/zinc/30/71/62/134307162.db2.gz GNFQMFXFYNSMGS-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO CCOC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000307871537 170218633 /nfs/dbraw/zinc/21/86/33/170218633.db2.gz MSWFQKNELOCIBJ-UHFFFAOYSA-N 1 2 221.247 1.527 20 0 BDADLO O=C1CCN1c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000341501685 182743115 /nfs/dbraw/zinc/74/31/15/182743115.db2.gz PIXQGFFRWJVNJO-UHFFFAOYSA-N 1 2 242.282 1.759 20 0 BDADLO OC1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000070840847 183030204 /nfs/dbraw/zinc/03/02/04/183030204.db2.gz USGRNYYJEYLMST-UHFFFAOYSA-N 1 2 231.217 1.882 20 0 BDADLO OC1(CNc2cc[nH+]c(C3CC3)n2)CCOCC1 ZINC000264843320 183021044 /nfs/dbraw/zinc/02/10/44/183021044.db2.gz HGBOZMPZKOJPTH-UHFFFAOYSA-N 1 2 249.314 1.307 20 0 BDADLO OCC(F)(F)C[NH2+][C@@H]1CCc2ccccc21 ZINC000184697214 183035614 /nfs/dbraw/zinc/03/56/14/183035614.db2.gz FHBTVXVLSWMKDI-LLVKDONJSA-N 1 2 227.254 1.891 20 0 BDADLO OCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000268252400 183057506 /nfs/dbraw/zinc/05/75/06/183057506.db2.gz JGKBVZQFPKGYAF-LLVKDONJSA-N 1 2 227.329 1.504 20 0 BDADLO OCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000268252400 183057508 /nfs/dbraw/zinc/05/75/08/183057508.db2.gz JGKBVZQFPKGYAF-LLVKDONJSA-N 1 2 227.329 1.504 20 0 BDADLO OCC[N@H+](CC[C@H]1CCCO1)CC(F)F ZINC000194859622 183068832 /nfs/dbraw/zinc/06/88/32/183068832.db2.gz ZVEZGXVPXKNHMQ-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO OCC[N@@H+](CC[C@H]1CCCO1)CC(F)F ZINC000194859622 183068834 /nfs/dbraw/zinc/06/88/34/183068834.db2.gz ZVEZGXVPXKNHMQ-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO OCCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000127427002 183064364 /nfs/dbraw/zinc/06/43/64/183064364.db2.gz HETGJIPTXVMEFJ-UHFFFAOYSA-N 1 2 245.204 1.833 20 0 BDADLO OCC[N@H+](Cc1csc(Cl)n1)C1CC1 ZINC000289506368 183070362 /nfs/dbraw/zinc/07/03/62/183070362.db2.gz DYDOLHCQFOLLLG-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO OCC[N@@H+](Cc1csc(Cl)n1)C1CC1 ZINC000289506368 183070363 /nfs/dbraw/zinc/07/03/63/183070363.db2.gz DYDOLHCQFOLLLG-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185588602 183074454 /nfs/dbraw/zinc/07/44/54/183074454.db2.gz PPWPNSDRGIFYPP-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185588602 183074456 /nfs/dbraw/zinc/07/44/56/183074456.db2.gz PPWPNSDRGIFYPP-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125355982 183076516 /nfs/dbraw/zinc/07/65/16/183076516.db2.gz XRXLTBDTOAOJFI-JTQLQIEISA-N 1 2 213.302 1.114 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125355982 183076518 /nfs/dbraw/zinc/07/65/18/183076518.db2.gz XRXLTBDTOAOJFI-JTQLQIEISA-N 1 2 213.302 1.114 20 0 BDADLO OCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187029572 183077305 /nfs/dbraw/zinc/07/73/05/183077305.db2.gz DPOJIFOVONSTIH-QMMMGPOBSA-N 1 2 230.358 1.225 20 0 BDADLO OCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187029572 183077308 /nfs/dbraw/zinc/07/73/08/183077308.db2.gz DPOJIFOVONSTIH-QMMMGPOBSA-N 1 2 230.358 1.225 20 0 BDADLO OCC[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000301362129 183096314 /nfs/dbraw/zinc/09/63/14/183096314.db2.gz PBMQBINEPIANEV-NSHDSACASA-N 1 2 233.315 1.927 20 0 BDADLO OCC[N@H+](Cc1ccno1)Cc1cccnc1 ZINC000268686398 183069562 /nfs/dbraw/zinc/06/95/62/183069562.db2.gz PZUQQCWCXBLVMZ-UHFFFAOYSA-N 1 2 233.271 1.064 20 0 BDADLO OCC[N@@H+](Cc1ccno1)Cc1cccnc1 ZINC000268686398 183069563 /nfs/dbraw/zinc/06/95/63/183069563.db2.gz PZUQQCWCXBLVMZ-UHFFFAOYSA-N 1 2 233.271 1.064 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000356278732 169011591 /nfs/dbraw/zinc/01/15/91/169011591.db2.gz JKBXQIDIIYVOII-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)cc1 ZINC000265211668 183108927 /nfs/dbraw/zinc/10/89/27/183108927.db2.gz DKODMQJFPBOQKT-LLVKDONJSA-N 1 2 235.262 1.372 20 0 BDADLO OC[C@@]1(F)CC[N@H+](CCC(F)(F)F)C1 ZINC000338586159 183134002 /nfs/dbraw/zinc/13/40/02/183134002.db2.gz ZKSGENHQXYZEQY-SSDOTTSWSA-N 1 2 215.190 1.345 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](CCC(F)(F)F)C1 ZINC000338586159 183134003 /nfs/dbraw/zinc/13/40/03/183134003.db2.gz ZKSGENHQXYZEQY-SSDOTTSWSA-N 1 2 215.190 1.345 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2cccnc2)C1 ZINC000287095914 183134027 /nfs/dbraw/zinc/13/40/27/183134027.db2.gz WDGBOBKCMQSADL-GFCCVEGCSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2cccnc2)C1 ZINC000287095914 183134029 /nfs/dbraw/zinc/13/40/29/183134029.db2.gz WDGBOBKCMQSADL-GFCCVEGCSA-N 1 2 224.279 1.378 20 0 BDADLO CCCCc1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351926135 169030897 /nfs/dbraw/zinc/03/08/97/169030897.db2.gz IFRHCGPIFHUKCN-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351926135 169030900 /nfs/dbraw/zinc/03/09/00/169030900.db2.gz IFRHCGPIFHUKCN-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000290083767 183152059 /nfs/dbraw/zinc/15/20/59/183152059.db2.gz QUKIBUROYABIET-MRVPVSSYSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1csc(Cl)n1 ZINC000290083767 183152061 /nfs/dbraw/zinc/15/20/61/183152061.db2.gz QUKIBUROYABIET-MRVPVSSYSA-N 1 2 232.736 1.753 20 0 BDADLO CCCCn1ncc2c1nc[nH+]c2NC ZINC000062367231 169039290 /nfs/dbraw/zinc/03/92/90/169039290.db2.gz LTHWXTJDFUOGJG-UHFFFAOYSA-N 1 2 205.265 1.668 20 0 BDADLO O[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000270287115 183180696 /nfs/dbraw/zinc/18/06/96/183180696.db2.gz KZRYYTWJDJQPEW-NSHDSACASA-N 1 2 248.330 1.481 20 0 BDADLO O[C@@H](CNc1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000270287115 183180698 /nfs/dbraw/zinc/18/06/98/183180698.db2.gz KZRYYTWJDJQPEW-NSHDSACASA-N 1 2 248.330 1.481 20 0 BDADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000264901465 183181708 /nfs/dbraw/zinc/18/17/08/183181708.db2.gz WBJKZBOILYUJNL-JTQLQIEISA-N 1 2 219.288 1.537 20 0 BDADLO CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000339284066 169051144 /nfs/dbraw/zinc/05/11/44/169051144.db2.gz FYQYWZZVZOZVNK-UHFFFAOYSA-N 1 2 209.293 1.556 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cncn2)cc[nH+]1 ZINC000192943531 259592865 /nfs/dbraw/zinc/59/28/65/259592865.db2.gz KGTCVIDAPNEZDK-SECBINFHSA-N 1 2 231.259 1.181 20 0 BDADLO O[C@H](Cc1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000339021301 183227240 /nfs/dbraw/zinc/22/72/40/183227240.db2.gz NHSHOTYUAQBFMC-GFCCVEGCSA-N 1 2 220.247 1.626 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cocn1 ZINC000192324056 183213228 /nfs/dbraw/zinc/21/32/28/183213228.db2.gz FLETUTBJYOZZGC-CHWSQXEVSA-N 1 2 230.267 1.423 20 0 BDADLO O[C@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000336720951 183239320 /nfs/dbraw/zinc/23/93/20/183239320.db2.gz YRODSEYCEHEXBI-QMMMGPOBSA-N 1 2 249.236 1.012 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1O ZINC000278353416 183244231 /nfs/dbraw/zinc/24/42/31/183244231.db2.gz ITRHYBDNTNCUQQ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@H]1O ZINC000278353416 183244233 /nfs/dbraw/zinc/24/42/33/183244233.db2.gz ITRHYBDNTNCUQQ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000294812855 183245482 /nfs/dbraw/zinc/24/54/82/183245482.db2.gz OAYXUWWNMOJRHP-SECBINFHSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000294812855 183245484 /nfs/dbraw/zinc/24/54/84/183245484.db2.gz OAYXUWWNMOJRHP-SECBINFHSA-N 1 2 243.253 1.158 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ncccc1C ZINC000124109926 169102114 /nfs/dbraw/zinc/10/21/14/169102114.db2.gz QFCOBOOUGGWRAZ-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ncccc1C ZINC000124109926 169102116 /nfs/dbraw/zinc/10/21/16/169102116.db2.gz QFCOBOOUGGWRAZ-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)CC1 ZINC000354726701 183235310 /nfs/dbraw/zinc/23/53/10/183235310.db2.gz DUAOCNMJRYIAEC-JTQLQIEISA-N 1 2 245.273 1.625 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)CC1 ZINC000354726701 183235311 /nfs/dbraw/zinc/23/53/11/183235311.db2.gz DUAOCNMJRYIAEC-JTQLQIEISA-N 1 2 245.273 1.625 20 0 BDADLO CCCN(CCC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000368470342 169143026 /nfs/dbraw/zinc/14/30/26/169143026.db2.gz MAQDUPCWQRIIFC-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCN(CCC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000368470342 169143030 /nfs/dbraw/zinc/14/30/30/169143030.db2.gz MAQDUPCWQRIIFC-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO Oc1cc(F)cc(C[NH+]2CC3(C2)CCOC3)c1 ZINC000294147280 183258838 /nfs/dbraw/zinc/25/88/38/183258838.db2.gz VDDOARJNUHIFJW-UHFFFAOYSA-N 1 2 237.274 1.754 20 0 BDADLO CCC[N@H+](Cc1noc(CC)n1)CC(C)(C)O ZINC000336716960 169181735 /nfs/dbraw/zinc/18/17/35/169181735.db2.gz XDKDJHSPIIXRFR-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCC[N@@H+](Cc1noc(CC)n1)CC(C)(C)O ZINC000336716960 169181737 /nfs/dbraw/zinc/18/17/37/169181737.db2.gz XDKDJHSPIIXRFR-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO c1c[nH+]c(CN2CCOC3(CCCCC3)C2)[nH]1 ZINC000173581619 183324437 /nfs/dbraw/zinc/32/44/37/183324437.db2.gz KWWQKKQTBGTJJW-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO CCCN1CCC[N@H+](C/C=C/Cl)CC1=O ZINC000189381096 169192634 /nfs/dbraw/zinc/19/26/34/169192634.db2.gz VDINSOLLZLYSTP-HWKANZROSA-N 1 2 230.739 1.683 20 0 BDADLO CCCN1CCC[N@@H+](C/C=C/Cl)CC1=O ZINC000189381096 169192636 /nfs/dbraw/zinc/19/26/36/169192636.db2.gz VDINSOLLZLYSTP-HWKANZROSA-N 1 2 230.739 1.683 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2Cc2csnn2)[nH]1 ZINC000125349789 183328190 /nfs/dbraw/zinc/32/81/90/183328190.db2.gz SHZPHKGECKYOJA-SNVBAGLBSA-N 1 2 249.343 1.988 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)[nH]1 ZINC000331368044 183307409 /nfs/dbraw/zinc/30/74/09/183307409.db2.gz GQLIYMYMNSTRQC-BDAKNGLRSA-N 1 2 222.292 1.275 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)[nH]1 ZINC000331368044 183307410 /nfs/dbraw/zinc/30/74/10/183307410.db2.gz GQLIYMYMNSTRQC-BDAKNGLRSA-N 1 2 222.292 1.275 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](C)c1csc(C)n1 ZINC000036915636 169229070 /nfs/dbraw/zinc/22/90/70/169229070.db2.gz FPIAJNBODBZALT-MRVPVSSYSA-N 1 2 241.360 1.628 20 0 BDADLO CCCNC(=O)CNc1cc[nH+]c2ccncc12 ZINC000269390031 169230576 /nfs/dbraw/zinc/23/05/76/169230576.db2.gz VAIPPNQGTQLIBI-UHFFFAOYSA-N 1 2 244.298 1.568 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]3COC[C@H]32)no1 ZINC000369501729 183345168 /nfs/dbraw/zinc/34/51/68/183345168.db2.gz CSPCWGLEGQQPCF-GXSJLCMTSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]3COC[C@H]32)no1 ZINC000369501729 183345170 /nfs/dbraw/zinc/34/51/70/183345170.db2.gz CSPCWGLEGQQPCF-GXSJLCMTSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)n[nH]1 ZINC000268867166 183351262 /nfs/dbraw/zinc/35/12/62/183351262.db2.gz UHLZBANYNGOYFN-SNVBAGLBSA-N 1 2 217.276 1.300 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)n[nH]1 ZINC000268867166 183351265 /nfs/dbraw/zinc/35/12/65/183351265.db2.gz UHLZBANYNGOYFN-SNVBAGLBSA-N 1 2 217.276 1.300 20 0 BDADLO c1snnc1C[NH2+]Cc1ccncc1 ZINC000036902076 183351739 /nfs/dbraw/zinc/35/17/39/183351739.db2.gz KAGUUEUEUVNECR-UHFFFAOYSA-N 1 2 206.274 1.223 20 0 BDADLO c1cn(-c2cccc(N3CCCC3)n2)c[nH+]1 ZINC000370141601 183356315 /nfs/dbraw/zinc/35/63/15/183356315.db2.gz UCCFSJXTCHAFAE-UHFFFAOYSA-N 1 2 214.272 1.868 20 0 BDADLO CCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048850398 169237242 /nfs/dbraw/zinc/23/72/42/169237242.db2.gz JPAUVDFCCUAUOC-UHFFFAOYSA-N 1 2 232.287 1.544 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000336777807 169242381 /nfs/dbraw/zinc/24/23/81/169242381.db2.gz JPCALNACAHYMSX-RKDXNWHRSA-N 1 2 225.292 1.240 20 0 BDADLO CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068371094 169252456 /nfs/dbraw/zinc/25/24/56/169252456.db2.gz XRRQQUXXXANIOX-UHFFFAOYSA-N 1 2 203.245 1.474 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369787470 169299379 /nfs/dbraw/zinc/29/93/79/169299379.db2.gz OPCRVUKQJYFETD-QJPTWQEYSA-N 1 2 241.331 1.581 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369787470 169299382 /nfs/dbraw/zinc/29/93/82/169299382.db2.gz OPCRVUKQJYFETD-QJPTWQEYSA-N 1 2 241.331 1.581 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132554183 169299706 /nfs/dbraw/zinc/29/97/06/169299706.db2.gz IRXDFBCBGQRYDN-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132554183 169299708 /nfs/dbraw/zinc/29/97/08/169299708.db2.gz IRXDFBCBGQRYDN-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CCCOCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378524123 169303384 /nfs/dbraw/zinc/30/33/84/169303384.db2.gz YWCFKBZQTYWNPS-JTQLQIEISA-N 1 2 237.303 1.500 20 0 BDADLO CCCSCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000124687787 169335911 /nfs/dbraw/zinc/33/59/11/169335911.db2.gz LCGZINXHUDXIJN-UHFFFAOYSA-N 1 2 242.388 1.436 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358407097 169352413 /nfs/dbraw/zinc/35/24/13/169352413.db2.gz FAKRPXPPKADLJU-ZJUUUORDSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358407097 169352414 /nfs/dbraw/zinc/35/24/14/169352414.db2.gz FAKRPXPPKADLJU-ZJUUUORDSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@@H](CC)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000353160434 169377757 /nfs/dbraw/zinc/37/77/57/169377757.db2.gz DIQSUIIZNKCLTB-RKDXNWHRSA-N 1 2 234.290 1.679 20 0 BDADLO CCC[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000296268358 169383855 /nfs/dbraw/zinc/38/38/55/169383855.db2.gz YKMSIONSYGNSEX-QRGHLMKCSA-N 1 2 237.303 1.354 20 0 BDADLO CCC[C@H](CC)NC(=O)NCCn1cc[nH+]c1 ZINC000195375480 259604208 /nfs/dbraw/zinc/60/42/08/259604208.db2.gz ZHOAGYIVLODPJH-NSHDSACASA-N 1 2 238.335 1.761 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1noc(COC)n1 ZINC000356242544 171055080 /nfs/dbraw/zinc/05/50/80/171055080.db2.gz ACWWBYILOOXWAY-VHSXEESVSA-N 1 2 239.319 1.979 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1noc(COC)n1 ZINC000356242544 171055085 /nfs/dbraw/zinc/05/50/85/171055085.db2.gz ACWWBYILOOXWAY-VHSXEESVSA-N 1 2 239.319 1.979 20 0 BDADLO OCC[C@H]([NH2+]Cc1cnc[nH]1)c1ccco1 ZINC000184503677 134365499 /nfs/dbraw/zinc/36/54/99/134365499.db2.gz CWZNCIMLZQEEGV-JTQLQIEISA-N 1 2 221.260 1.216 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000111273723 383848630 /nfs/dbraw/zinc/84/86/30/383848630.db2.gz YHFGYRQYZGTELS-UWVGGRQHSA-N 1 2 209.293 1.409 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1nc(C2CC2)no1 ZINC000111279742 383851964 /nfs/dbraw/zinc/85/19/64/383851964.db2.gz PKVNQOHLODOLGZ-UHFFFAOYSA-N 1 2 247.302 1.276 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1nc(C2CC2)no1 ZINC000111279742 383851974 /nfs/dbraw/zinc/85/19/74/383851974.db2.gz PKVNQOHLODOLGZ-UHFFFAOYSA-N 1 2 247.302 1.276 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCn2cccn2)o1 ZINC000111279055 383852288 /nfs/dbraw/zinc/85/22/88/383852288.db2.gz YIUJHNVQYYCMBU-SECBINFHSA-N 1 2 235.291 1.268 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCn2cccn2)o1 ZINC000111279055 383852293 /nfs/dbraw/zinc/85/22/93/383852293.db2.gz YIUJHNVQYYCMBU-SECBINFHSA-N 1 2 235.291 1.268 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)CCn1cccn1 ZINC000111279268 383852507 /nfs/dbraw/zinc/85/25/07/383852507.db2.gz HRISUPCUPOYVDL-UHFFFAOYSA-N 1 2 246.314 1.036 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)CCn1cccn1 ZINC000111279268 383852511 /nfs/dbraw/zinc/85/25/11/383852511.db2.gz HRISUPCUPOYVDL-UHFFFAOYSA-N 1 2 246.314 1.036 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000066666462 383878149 /nfs/dbraw/zinc/87/81/49/383878149.db2.gz VJXUZMGVYSZAML-CDAZIORVSA-N 1 2 216.712 1.195 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000066666462 383878153 /nfs/dbraw/zinc/87/81/53/383878153.db2.gz VJXUZMGVYSZAML-CDAZIORVSA-N 1 2 216.712 1.195 20 0 BDADLO C[C@@H](C(=O)N1CCCC1(C)C)[NH+]1CCOCC1 ZINC000336448463 383907255 /nfs/dbraw/zinc/90/72/55/383907255.db2.gz SKPFZXDIGPYRPF-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO Cc1csc(C[N@@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000088577044 383913156 /nfs/dbraw/zinc/91/31/56/383913156.db2.gz NHCTWWDLLCDVPN-VIFPVBQESA-N 1 2 239.344 1.291 20 0 BDADLO Cc1csc(C[N@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000088577044 383913160 /nfs/dbraw/zinc/91/31/60/383913160.db2.gz NHCTWWDLLCDVPN-VIFPVBQESA-N 1 2 239.344 1.291 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccon1 ZINC000492856254 533017932 /nfs/dbraw/zinc/01/79/32/533017932.db2.gz BJKMUVNCBZBECH-UFUPEUMYSA-N 1 2 232.243 1.288 20 0 BDADLO CCO[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332409540 383928387 /nfs/dbraw/zinc/92/83/87/383928387.db2.gz NCVVTCOQJRBUNW-ZJUUUORDSA-N 1 2 237.303 1.498 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1COCC1(C)C ZINC000313106204 383886994 /nfs/dbraw/zinc/88/69/94/383886994.db2.gz JGZXYPYHAHKLNF-JTQLQIEISA-N 1 2 209.293 1.233 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)c1[nH]cc[nH+]1 ZINC000140494991 383905078 /nfs/dbraw/zinc/90/50/78/383905078.db2.gz DDSDMQZKPLSLIK-BBBLOLIVSA-N 1 2 237.303 1.402 20 0 BDADLO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)[nH]1)C(F)F ZINC000449358112 383967260 /nfs/dbraw/zinc/96/72/60/383967260.db2.gz DVLLTGDVVPJDJU-QMMMGPOBSA-N 1 2 246.257 1.935 20 0 BDADLO CCC[C@@H](NCc1[nH+]ccn1CC)C(=O)OC ZINC000530441868 384022832 /nfs/dbraw/zinc/02/28/32/384022832.db2.gz GHOYTOXOBFPWQA-SNVBAGLBSA-N 1 2 239.319 1.334 20 0 BDADLO Cc1nc(CSCCn2cc[nH+]c2)no1 ZINC000090200307 384036434 /nfs/dbraw/zinc/03/64/34/384036434.db2.gz IPGQGACMPBEQAX-UHFFFAOYSA-N 1 2 224.289 1.508 20 0 BDADLO CC[C@@H]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000560328375 384073835 /nfs/dbraw/zinc/07/38/35/384073835.db2.gz ZYSZBIIKKMFHRX-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)no1 ZINC000332656062 384097504 /nfs/dbraw/zinc/09/75/04/384097504.db2.gz NNHOLEOYDORAOI-JTQLQIEISA-N 1 2 224.264 1.125 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@](C)(C(N)=O)C2)no1 ZINC000332656062 384097506 /nfs/dbraw/zinc/09/75/06/384097506.db2.gz NNHOLEOYDORAOI-JTQLQIEISA-N 1 2 224.264 1.125 20 0 BDADLO C[NH+](C)[C@H](CNC(N)=O)c1c(F)cccc1F ZINC000115779178 384098078 /nfs/dbraw/zinc/09/80/78/384098078.db2.gz MOGFCZJJHQYRSK-SECBINFHSA-N 1 2 243.257 1.236 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)o1 ZINC000050049063 384101274 /nfs/dbraw/zinc/10/12/74/384101274.db2.gz SXHQCOBWWGKAIZ-NSHDSACASA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)o1 ZINC000050049063 384101280 /nfs/dbraw/zinc/10/12/80/384101280.db2.gz SXHQCOBWWGKAIZ-NSHDSACASA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000050050772 384101548 /nfs/dbraw/zinc/10/15/48/384101548.db2.gz JLYAAJRNSQNIQV-SNVBAGLBSA-N 1 2 225.313 1.886 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC000050050772 384101553 /nfs/dbraw/zinc/10/15/53/384101553.db2.gz JLYAAJRNSQNIQV-SNVBAGLBSA-N 1 2 225.313 1.886 20 0 BDADLO C[N@H+](CCOc1ccccc1)[C@@H]1CCOC1=O ZINC000070737526 384134491 /nfs/dbraw/zinc/13/44/91/384134491.db2.gz UMZRZDKHPDWQPZ-GFCCVEGCSA-N 1 2 235.283 1.313 20 0 BDADLO C[N@@H+](CCOc1ccccc1)[C@@H]1CCOC1=O ZINC000070737526 384134497 /nfs/dbraw/zinc/13/44/97/384134497.db2.gz UMZRZDKHPDWQPZ-GFCCVEGCSA-N 1 2 235.283 1.313 20 0 BDADLO CCc1nnc(C[N@H+](CC)CCCO)s1 ZINC000680057816 487528516 /nfs/dbraw/zinc/52/85/16/487528516.db2.gz LXGORLRMMJKCEL-UHFFFAOYSA-N 1 2 229.349 1.305 20 0 BDADLO CCc1nnc(C[N@@H+](CC)CCCO)s1 ZINC000680057816 487528521 /nfs/dbraw/zinc/52/85/21/487528521.db2.gz LXGORLRMMJKCEL-UHFFFAOYSA-N 1 2 229.349 1.305 20 0 BDADLO Cc1cc(C[N@@H+](C)CC2=CCCOC2)no1 ZINC000092254835 384170836 /nfs/dbraw/zinc/17/08/36/384170836.db2.gz FAFGQOOGQIGILC-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO Cc1cc(C[N@H+](C)CC2=CCCOC2)no1 ZINC000092254835 384170844 /nfs/dbraw/zinc/17/08/44/384170844.db2.gz FAFGQOOGQIGILC-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000560506377 384177426 /nfs/dbraw/zinc/17/74/26/384177426.db2.gz WGYNRVPOTRFPCW-JGVFFNPUSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000560506377 384177431 /nfs/dbraw/zinc/17/74/31/384177431.db2.gz WGYNRVPOTRFPCW-JGVFFNPUSA-N 1 2 213.281 1.406 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cnccn1 ZINC000092591800 384185970 /nfs/dbraw/zinc/18/59/70/384185970.db2.gz QEIDLSRIEWHPSL-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cnccn1 ZINC000092591800 384185971 /nfs/dbraw/zinc/18/59/71/384185971.db2.gz QEIDLSRIEWHPSL-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1cnccn1 ZINC000092591475 384186558 /nfs/dbraw/zinc/18/65/58/384186558.db2.gz ABPGREDGOQPNIB-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1cnccn1 ZINC000092591475 384186565 /nfs/dbraw/zinc/18/65/65/384186565.db2.gz ABPGREDGOQPNIB-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000041391927 384189844 /nfs/dbraw/zinc/18/98/44/384189844.db2.gz AIAHGZCCZZMOEU-LLVKDONJSA-N 1 2 233.311 1.996 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000041391927 384189846 /nfs/dbraw/zinc/18/98/46/384189846.db2.gz AIAHGZCCZZMOEU-LLVKDONJSA-N 1 2 233.311 1.996 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853887 384214613 /nfs/dbraw/zinc/21/46/13/384214613.db2.gz WSZONXLKRUOLKA-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCc2n[nH]cc2C1 ZINC000118853887 384214620 /nfs/dbraw/zinc/21/46/20/384214620.db2.gz WSZONXLKRUOLKA-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO COC(=O)[C@H]1C[N@H+](C/C=C/Cl)C[C@@H](C)O1 ZINC000132289227 384225121 /nfs/dbraw/zinc/22/51/21/384225121.db2.gz MPNHUUFLHJCYSR-HUGTUPKYSA-N 1 2 233.695 1.001 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](C/C=C/Cl)C[C@@H](C)O1 ZINC000132289227 384225125 /nfs/dbraw/zinc/22/51/25/384225125.db2.gz MPNHUUFLHJCYSR-HUGTUPKYSA-N 1 2 233.695 1.001 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000093508981 384245430 /nfs/dbraw/zinc/24/54/30/384245430.db2.gz NTGGTZFJEQKBLF-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000093508981 384245434 /nfs/dbraw/zinc/24/54/34/384245434.db2.gz NTGGTZFJEQKBLF-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1(C2CC2)CC1 ZINC000292660654 384250571 /nfs/dbraw/zinc/25/05/71/384250571.db2.gz WTUDHTDUXJULPI-UHFFFAOYSA-N 1 2 248.330 1.410 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)C2)s1 ZINC000528374476 384255090 /nfs/dbraw/zinc/25/50/90/384255090.db2.gz VNGXMUOVOUFAOJ-QMMMGPOBSA-N 1 2 227.333 1.228 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000528374476 384255091 /nfs/dbraw/zinc/25/50/91/384255091.db2.gz VNGXMUOVOUFAOJ-QMMMGPOBSA-N 1 2 227.333 1.228 20 0 BDADLO c1csc(N2CC[NH+](Cc3cc[nH]n3)CC2)c1 ZINC000093692388 384262047 /nfs/dbraw/zinc/26/20/47/384262047.db2.gz RRXVXFQBPKACDC-UHFFFAOYSA-N 1 2 248.355 1.793 20 0 BDADLO CN(C)c1ccc(NCc2csnn2)[nH+]c1 ZINC000133467998 384265846 /nfs/dbraw/zinc/26/58/46/384265846.db2.gz PMXOVVFSJADSGN-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)C2CC2)c1 ZINC000073888672 384268377 /nfs/dbraw/zinc/26/83/77/384268377.db2.gz ITZIPOUUZZHVKG-UHFFFAOYSA-N 1 2 246.310 1.922 20 0 BDADLO CC(=O)c1cccc(NC(=O)C[N@H+](C)C2CC2)c1 ZINC000073888672 384268384 /nfs/dbraw/zinc/26/83/84/384268384.db2.gz ITZIPOUUZZHVKG-UHFFFAOYSA-N 1 2 246.310 1.922 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1cccc(C)n1 ZINC000569572284 384268494 /nfs/dbraw/zinc/26/84/94/384268494.db2.gz ZZDWHFJWDFMBPL-ZDUSSCGKSA-N 1 2 247.342 1.143 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1cccc(C)n1 ZINC000569572284 384268499 /nfs/dbraw/zinc/26/84/99/384268499.db2.gz ZZDWHFJWDFMBPL-ZDUSSCGKSA-N 1 2 247.342 1.143 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000093771301 384269565 /nfs/dbraw/zinc/26/95/65/384269565.db2.gz VZZDEOUADRCALV-LLVKDONJSA-N 1 2 222.288 1.380 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000093771301 384269571 /nfs/dbraw/zinc/26/95/71/384269571.db2.gz VZZDEOUADRCALV-LLVKDONJSA-N 1 2 222.288 1.380 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@@H]2C)nc(N)[nH+]1 ZINC000304402232 384276107 /nfs/dbraw/zinc/27/61/07/384276107.db2.gz BABPMWVLAPWFMS-CBAPKCEASA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000304402232 384276111 /nfs/dbraw/zinc/27/61/11/384276111.db2.gz BABPMWVLAPWFMS-CBAPKCEASA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000304463989 384322173 /nfs/dbraw/zinc/32/21/73/384322173.db2.gz MQPNTZPVMLKEDE-JGVFFNPUSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C)[C@H](C)C2)[nH+]1 ZINC000304463989 384322178 /nfs/dbraw/zinc/32/21/78/384322178.db2.gz MQPNTZPVMLKEDE-JGVFFNPUSA-N 1 2 221.308 1.245 20 0 BDADLO CCN(CC)C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000119819782 384309102 /nfs/dbraw/zinc/30/91/02/384309102.db2.gz BWYGRKZFNHCCMN-UHFFFAOYSA-N 1 2 249.358 1.772 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000119819782 384309107 /nfs/dbraw/zinc/30/91/07/384309107.db2.gz BWYGRKZFNHCCMN-UHFFFAOYSA-N 1 2 249.358 1.772 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000300026918 384278726 /nfs/dbraw/zinc/27/87/26/384278726.db2.gz XQTDZRNLOCFHOW-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000300026918 384278731 /nfs/dbraw/zinc/27/87/31/384278731.db2.gz XQTDZRNLOCFHOW-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000304463988 384321174 /nfs/dbraw/zinc/32/11/74/384321174.db2.gz MQPNTZPVMLKEDE-HTQZYQBOSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@H](C)C2)[nH+]1 ZINC000304463988 384321177 /nfs/dbraw/zinc/32/11/77/384321177.db2.gz MQPNTZPVMLKEDE-HTQZYQBOSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N(C)[C@H](C)C(C)(C)C)nc(N)[nH+]1 ZINC000304404769 384281074 /nfs/dbraw/zinc/28/10/74/384281074.db2.gz BIRQISUEMQZNHD-SSDOTTSWSA-N 1 2 223.324 1.633 20 0 BDADLO Cc1nc(N)nc(N(C)[C@H](C)C(C)(C)C)[nH+]1 ZINC000304404769 384281082 /nfs/dbraw/zinc/28/10/82/384281082.db2.gz BIRQISUEMQZNHD-SSDOTTSWSA-N 1 2 223.324 1.633 20 0 BDADLO Cc1nc(NC[C@]2(C)CCCS2)nc(N)[nH+]1 ZINC000304410505 384287712 /nfs/dbraw/zinc/28/77/12/384287712.db2.gz CCSLBQZRUICNDL-JTQLQIEISA-N 1 2 239.348 1.460 20 0 BDADLO Cc1nc(N)nc(NC[C@]2(C)CCCS2)[nH+]1 ZINC000304410505 384287723 /nfs/dbraw/zinc/28/77/23/384287723.db2.gz CCSLBQZRUICNDL-JTQLQIEISA-N 1 2 239.348 1.460 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2c(F)cccc2C1 ZINC000074448108 384288567 /nfs/dbraw/zinc/28/85/67/384288567.db2.gz PJBGPWOOPVLKDC-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2c(F)cccc2C1 ZINC000074448108 384288574 /nfs/dbraw/zinc/28/85/74/384288574.db2.gz PJBGPWOOPVLKDC-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000332700471 384335602 /nfs/dbraw/zinc/33/56/02/384335602.db2.gz XCWCXYHZBLPAGD-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000332700471 384335606 /nfs/dbraw/zinc/33/56/06/384335606.db2.gz XCWCXYHZBLPAGD-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO Cc1cc(C[NH+]2CCOCC2)ccc1F ZINC000075928284 384347885 /nfs/dbraw/zinc/34/78/85/384347885.db2.gz RBEKPKYBILIOKI-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO CC[C@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000642704012 384349065 /nfs/dbraw/zinc/34/90/65/384349065.db2.gz LXXUYXSRJZEXLB-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@H](C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000642704012 384349072 /nfs/dbraw/zinc/34/90/72/384349072.db2.gz LXXUYXSRJZEXLB-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCCCC2 ZINC000070131215 384363499 /nfs/dbraw/zinc/36/34/99/384363499.db2.gz YLXXJLGGKKLUSV-JTQLQIEISA-N 1 2 223.320 1.327 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCOC(C)(C)C1 ZINC000084093664 384365281 /nfs/dbraw/zinc/36/52/81/384365281.db2.gz SUKKHBYRZBSBKH-SNVBAGLBSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCOC(C)(C)C1 ZINC000084093664 384365282 /nfs/dbraw/zinc/36/52/82/384365282.db2.gz SUKKHBYRZBSBKH-SNVBAGLBSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@@H](Cc1ccsc1)[NH+]1CC(O)(C(F)F)C1 ZINC000644905625 384370828 /nfs/dbraw/zinc/37/08/28/384370828.db2.gz UDVRHTITLLCVRX-QMMMGPOBSA-N 1 2 247.310 1.991 20 0 BDADLO CCOCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000120097308 384329020 /nfs/dbraw/zinc/32/90/20/384329020.db2.gz KEKCUJWRWIBVQR-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO CC(C)c1nc(NC2(CCO)CC2)cc[nH+]1 ZINC000336684858 384333136 /nfs/dbraw/zinc/33/31/36/384333136.db2.gz RODTYRXKZUPZRJ-UHFFFAOYSA-N 1 2 221.304 1.927 20 0 BDADLO CO[C@H](C)c1noc(C[NH+]2CCCCC2)n1 ZINC000175071042 384394449 /nfs/dbraw/zinc/39/44/49/384394449.db2.gz FBXURPKHEWDTAB-SECBINFHSA-N 1 2 225.292 1.763 20 0 BDADLO Cc1nc(N[C@@H](C)CC(F)(F)F)nc(N)[nH+]1 ZINC000304550608 384396650 /nfs/dbraw/zinc/39/66/50/384396650.db2.gz XIKWBIVWRSITSB-BYPYZUCNSA-N 1 2 235.213 1.515 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)CC(F)(F)F)[nH+]1 ZINC000304550608 384396654 /nfs/dbraw/zinc/39/66/54/384396654.db2.gz XIKWBIVWRSITSB-BYPYZUCNSA-N 1 2 235.213 1.515 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H](C)CO ZINC000121239763 384405598 /nfs/dbraw/zinc/40/55/98/384405598.db2.gz HOIBVHDKRFHJDH-VHSXEESVSA-N 1 2 237.303 1.528 20 0 BDADLO CC[C@@H](COC)NC(=O)Nc1cc[nH+]cc1C ZINC000121255655 384407617 /nfs/dbraw/zinc/40/76/17/384407617.db2.gz OHFATXOYIJOVEY-JTQLQIEISA-N 1 2 237.303 1.937 20 0 BDADLO Cc1cc[nH+]c(N[C@H](C)CO)c1Br ZINC000235462712 384410239 /nfs/dbraw/zinc/41/02/39/384410239.db2.gz ADBLVRSZEUCOHQ-SSDOTTSWSA-N 1 2 245.120 1.945 20 0 BDADLO CC(C)CCO[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359686213 384379003 /nfs/dbraw/zinc/37/90/03/384379003.db2.gz VIPJSKRWFAZZSK-JTQLQIEISA-N 1 2 239.319 1.477 20 0 BDADLO CC(C)CCO[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359686213 384379009 /nfs/dbraw/zinc/37/90/09/384379009.db2.gz VIPJSKRWFAZZSK-JTQLQIEISA-N 1 2 239.319 1.477 20 0 BDADLO C[C@H](Nc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000235561026 384445362 /nfs/dbraw/zinc/44/53/62/384445362.db2.gz KBBFBXXYCHJLTI-YFKPBYRVSA-N 1 2 212.684 1.923 20 0 BDADLO C[C@H](Nc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000235561026 384445367 /nfs/dbraw/zinc/44/53/67/384445367.db2.gz KBBFBXXYCHJLTI-YFKPBYRVSA-N 1 2 212.684 1.923 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1CC1 ZINC000121935981 384445455 /nfs/dbraw/zinc/44/54/55/384445455.db2.gz DZRNBGPOSBLVKI-UHFFFAOYSA-N 1 2 205.261 1.922 20 0 BDADLO c1cn(CCSc2nnc(C3CC3)[nH]2)c[nH+]1 ZINC000121891462 384445521 /nfs/dbraw/zinc/44/55/21/384445521.db2.gz VPNXUSKMCBRLMV-UHFFFAOYSA-N 1 2 235.316 1.671 20 0 BDADLO c1cn(CCSc2nc(C3CC3)n[nH]2)c[nH+]1 ZINC000121891462 384445526 /nfs/dbraw/zinc/44/55/26/384445526.db2.gz VPNXUSKMCBRLMV-UHFFFAOYSA-N 1 2 235.316 1.671 20 0 BDADLO Cc1ccc2[nH+]c(CN3CCOCC3)cn2c1 ZINC000078490982 384447710 /nfs/dbraw/zinc/44/77/10/384447710.db2.gz LHFMJNWCDHXXGJ-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO CC[C@@H](NC(=O)c1c(C)noc1C)c1[nH]cc[nH+]1 ZINC000140723712 384448998 /nfs/dbraw/zinc/44/89/98/384448998.db2.gz KOOHSRQZQCLQRV-SECBINFHSA-N 1 2 248.286 1.896 20 0 BDADLO CCN(CCO)c1cc(C(F)(F)F)cc[nH+]1 ZINC000078612562 384451580 /nfs/dbraw/zinc/45/15/80/384451580.db2.gz BQPUXSNRWCHIBV-UHFFFAOYSA-N 1 2 234.221 1.919 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ccnn2C)CCO1 ZINC000135598988 384454043 /nfs/dbraw/zinc/45/40/43/384454043.db2.gz VLBHHCLBTWAITL-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ccnn2C)CCO1 ZINC000135598988 384454049 /nfs/dbraw/zinc/45/40/49/384454049.db2.gz VLBHHCLBTWAITL-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO Nc1[nH+]cnc(NCC2(CCO)CC2)c1Cl ZINC000236390469 384437432 /nfs/dbraw/zinc/43/74/32/384437432.db2.gz OADAXFLRTKVJFT-UHFFFAOYSA-N 1 2 242.710 1.287 20 0 BDADLO Nc1nc[nH+]c(NCC2(CCO)CC2)c1Cl ZINC000236390469 384437438 /nfs/dbraw/zinc/43/74/38/384437438.db2.gz OADAXFLRTKVJFT-UHFFFAOYSA-N 1 2 242.710 1.287 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ccoc1C ZINC000647174916 384468169 /nfs/dbraw/zinc/46/81/69/384468169.db2.gz QECJVERGCWEUOJ-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CO[C@@H](C)C1 ZINC000402121485 384497457 /nfs/dbraw/zinc/49/74/57/384497457.db2.gz DVUDDLSJPBFWTL-IUCAKERBSA-N 1 2 208.261 1.680 20 0 BDADLO Cc1cncc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000079543348 384500301 /nfs/dbraw/zinc/50/03/01/384500301.db2.gz ZWJZFZJIWZPIKW-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO Cc1nc(N(C)Cc2ccccc2F)nc(N)[nH+]1 ZINC000302640775 384489086 /nfs/dbraw/zinc/48/90/86/384489086.db2.gz SXLPOAMWPSABJK-UHFFFAOYSA-N 1 2 247.277 1.538 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2ccccc2F)[nH+]1 ZINC000302640775 384489090 /nfs/dbraw/zinc/48/90/90/384489090.db2.gz SXLPOAMWPSABJK-UHFFFAOYSA-N 1 2 247.277 1.538 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ncnn1C ZINC000276747471 384516261 /nfs/dbraw/zinc/51/62/61/384516261.db2.gz ZVDNUFGLRCQYFB-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C\c1ccccc1OC ZINC000255414102 384521066 /nfs/dbraw/zinc/52/10/66/384521066.db2.gz CXMKXAMCYBDFLH-VURMDHGXSA-N 1 2 249.310 1.813 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C\c1ccccc1OC ZINC000255414102 384521070 /nfs/dbraw/zinc/52/10/70/384521070.db2.gz CXMKXAMCYBDFLH-VURMDHGXSA-N 1 2 249.310 1.813 20 0 BDADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccon1 ZINC000566446796 384529173 /nfs/dbraw/zinc/52/91/73/384529173.db2.gz OGWIXNFQGNOUJG-SECBINFHSA-N 1 2 237.303 1.194 20 0 BDADLO CC(=O)NCCCNc1[nH+]ccc(C)c1Cl ZINC000309708259 384548457 /nfs/dbraw/zinc/54/84/57/384548457.db2.gz WCYILFWARLOVND-UHFFFAOYSA-N 1 2 241.722 1.982 20 0 BDADLO COC[C@@H](NCc1[nH+]ccn1C)c1ccc(C)o1 ZINC000080237410 384537651 /nfs/dbraw/zinc/53/76/51/384537651.db2.gz PINZKOXXALJXDC-LLVKDONJSA-N 1 2 249.314 1.799 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H](C)c2ccon2)cn1 ZINC000309732717 384571238 /nfs/dbraw/zinc/57/12/38/384571238.db2.gz BMMMIQPTPPKTJX-VIFPVBQESA-N 1 2 218.260 1.822 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363496118 384574401 /nfs/dbraw/zinc/57/44/01/384574401.db2.gz NJJXEELRLIKSBP-MNOVXSKESA-N 1 2 246.314 1.118 20 0 BDADLO C[C@@H]1CSCCN1c1[nH+]cnc2c1cnn2C ZINC000172373929 384575582 /nfs/dbraw/zinc/57/55/82/384575582.db2.gz OHHYEAQBNXKCHB-MRVPVSSYSA-N 1 2 249.343 1.305 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2ccon2)cn1 ZINC000309786525 384607612 /nfs/dbraw/zinc/60/76/12/384607612.db2.gz OESCYUMNQMSDCQ-SECBINFHSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000086110729 384609355 /nfs/dbraw/zinc/60/93/55/384609355.db2.gz XWLSLTMXZWLGJT-MRVPVSSYSA-N 1 2 222.288 1.702 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000086110729 384609359 /nfs/dbraw/zinc/60/93/59/384609359.db2.gz XWLSLTMXZWLGJT-MRVPVSSYSA-N 1 2 222.288 1.702 20 0 BDADLO COC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccco1 ZINC000184538550 384614039 /nfs/dbraw/zinc/61/40/39/384614039.db2.gz MBIFSDMPGQKULQ-SNVBAGLBSA-N 1 2 240.303 1.081 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1F)NC1CC1 ZINC000363580978 384626599 /nfs/dbraw/zinc/62/65/99/384626599.db2.gz DEDXTANZVKUOOH-CYBMUJFWSA-N 1 2 248.301 1.851 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1F)NC1CC1 ZINC000363580978 384626607 /nfs/dbraw/zinc/62/66/07/384626607.db2.gz DEDXTANZVKUOOH-CYBMUJFWSA-N 1 2 248.301 1.851 20 0 BDADLO CCCc1noc(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000171692427 384631855 /nfs/dbraw/zinc/63/18/55/384631855.db2.gz AHGQFMIMZRDPIQ-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1noc(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000171692427 384631865 /nfs/dbraw/zinc/63/18/65/384631865.db2.gz AHGQFMIMZRDPIQ-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CC(C)c1nc(C[NH2+]C2(C(N)=O)CC2)cs1 ZINC000183816627 384596548 /nfs/dbraw/zinc/59/65/48/384596548.db2.gz SLXZODOXLSTXCD-UHFFFAOYSA-N 1 2 239.344 1.374 20 0 BDADLO COC(=O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000041042216 384601704 /nfs/dbraw/zinc/60/17/04/384601704.db2.gz RLDWADJDBGXHLF-CYBMUJFWSA-N 1 2 219.284 1.900 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@@H]1C ZINC000162678143 384663582 /nfs/dbraw/zinc/66/35/82/384663582.db2.gz UKWSVYLRKVZGEO-UWVGGRQHSA-N 1 2 245.330 1.846 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000184950634 384663680 /nfs/dbraw/zinc/66/36/80/384663680.db2.gz FATXCXAIUQBTBT-GHMZBOCLSA-N 1 2 221.304 1.291 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000647538229 384666059 /nfs/dbraw/zinc/66/60/59/384666059.db2.gz JMMBYUVDSQUNPJ-GFCCVEGCSA-N 1 2 233.315 1.105 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000647538229 384666067 /nfs/dbraw/zinc/66/60/67/384666067.db2.gz JMMBYUVDSQUNPJ-GFCCVEGCSA-N 1 2 233.315 1.105 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000363927809 384667758 /nfs/dbraw/zinc/66/77/58/384667758.db2.gz YNTNSILWRSXTTN-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cncc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000363927809 384667761 /nfs/dbraw/zinc/66/77/61/384667761.db2.gz YNTNSILWRSXTTN-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000082333269 384669803 /nfs/dbraw/zinc/66/98/03/384669803.db2.gz JLJJEAQPXOELAS-CYBMUJFWSA-N 1 2 246.310 1.922 20 0 BDADLO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000082333269 384669808 /nfs/dbraw/zinc/66/98/08/384669808.db2.gz JLJJEAQPXOELAS-CYBMUJFWSA-N 1 2 246.310 1.922 20 0 BDADLO CCC[N@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000048065627 384672732 /nfs/dbraw/zinc/67/27/32/384672732.db2.gz NXOGNCSABIHKGC-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CCC[N@@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000048065627 384672737 /nfs/dbraw/zinc/67/27/37/384672737.db2.gz NXOGNCSABIHKGC-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CC[C@H]([NH2+]Cc1cocn1)[C@@H](O)C(F)(F)F ZINC000277073689 384672793 /nfs/dbraw/zinc/67/27/93/384672793.db2.gz SUDBJBHRQHSXBQ-JGVFFNPUSA-N 1 2 238.209 1.466 20 0 BDADLO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC(F)(F)CO ZINC000184713495 384640225 /nfs/dbraw/zinc/64/02/25/384640225.db2.gz UMDYVWPDJNDCBZ-VIFPVBQESA-N 1 2 247.260 1.974 20 0 BDADLO O=C(CCC(F)(F)F)NCCCn1cc[nH+]c1 ZINC000173030861 384648505 /nfs/dbraw/zinc/64/85/05/384648505.db2.gz UBKZRJGNWFSPPU-UHFFFAOYSA-N 1 2 249.236 1.732 20 0 BDADLO CC[C@H]1CN2C(=N1)c1c(c(C)nn1C)[NH+]=C2C ZINC000100659585 384649605 /nfs/dbraw/zinc/64/96/05/384649605.db2.gz YFAVYALYCRERKH-VIFPVBQESA-N 1 2 231.303 1.633 20 0 BDADLO O=[S@@]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309498175 384654875 /nfs/dbraw/zinc/65/48/75/384654875.db2.gz KUCBQHYXOBQEAP-JDNHERCYSA-N 1 2 237.328 1.287 20 0 BDADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccon1 ZINC000309862947 384677257 /nfs/dbraw/zinc/67/72/57/384677257.db2.gz NLPZMMFBJUHCQF-JTQLQIEISA-N 1 2 238.312 1.868 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C1CC1 ZINC000176537316 384685376 /nfs/dbraw/zinc/68/53/76/384685376.db2.gz GQKFXSUBXOZAIO-GHMZBOCLSA-N 1 2 219.288 1.045 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)no1 ZINC000185131277 384685913 /nfs/dbraw/zinc/68/59/13/384685913.db2.gz IIRMSPACJKKDAM-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)no1 ZINC000185131277 384685922 /nfs/dbraw/zinc/68/59/22/384685922.db2.gz IIRMSPACJKKDAM-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO C[C@H](NCc1[nH]cc[nH+]1)C(=O)OC(C)(C)C ZINC000125006224 384689963 /nfs/dbraw/zinc/68/99/63/384689963.db2.gz ZZSUYXRZYQQBAO-QMMMGPOBSA-N 1 2 225.292 1.230 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cs1 ZINC000185224788 384695042 /nfs/dbraw/zinc/69/50/42/384695042.db2.gz CCDRLTYCYRHTCF-GLEZIHRCSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@](C)=O)cs1 ZINC000185224788 384695046 /nfs/dbraw/zinc/69/50/46/384695046.db2.gz CCDRLTYCYRHTCF-GLEZIHRCSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1nnc(CN2CCC[C@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000428306232 384702665 /nfs/dbraw/zinc/70/26/65/384702665.db2.gz OJICOLZTAIQTEL-VIFPVBQESA-N 1 2 232.291 1.173 20 0 BDADLO C[N@H+](CCc1ccccc1)CCS(C)(=O)=O ZINC000051997959 384708640 /nfs/dbraw/zinc/70/86/40/384708640.db2.gz JVRHNALEQQXTQZ-UHFFFAOYSA-N 1 2 241.356 1.206 20 0 BDADLO C[N@@H+](CCc1ccccc1)CCS(C)(=O)=O ZINC000051997959 384708646 /nfs/dbraw/zinc/70/86/46/384708646.db2.gz JVRHNALEQQXTQZ-UHFFFAOYSA-N 1 2 241.356 1.206 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125438806 384717823 /nfs/dbraw/zinc/71/78/23/384717823.db2.gz DCHLFJVEFVWAHN-NSHDSACASA-N 1 2 220.272 1.392 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125438806 384717829 /nfs/dbraw/zinc/71/78/29/384717829.db2.gz DCHLFJVEFVWAHN-NSHDSACASA-N 1 2 220.272 1.392 20 0 BDADLO Cc1nc(N2CCOC3(CCC3)C2)cc[nH+]1 ZINC000125457635 384717937 /nfs/dbraw/zinc/71/79/37/384717937.db2.gz PCPJNIQOIIIQIE-UHFFFAOYSA-N 1 2 219.288 1.544 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)nc1C ZINC000318783928 384739847 /nfs/dbraw/zinc/73/98/47/384739847.db2.gz PATLAILSVXOVKD-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)nc1C ZINC000318783928 384739857 /nfs/dbraw/zinc/73/98/57/384739857.db2.gz PATLAILSVXOVKD-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1cc[nH+]c(NCCO)c1Br ZINC000235791019 384741302 /nfs/dbraw/zinc/74/13/02/384741302.db2.gz ZEBFYRONIKAHHT-UHFFFAOYSA-N 1 2 231.093 1.557 20 0 BDADLO CCSCC[N@H+](CC)CC(=O)OC ZINC000126253783 384748015 /nfs/dbraw/zinc/74/80/15/384748015.db2.gz ILIVUEFHZXZFRP-UHFFFAOYSA-N 1 2 205.323 1.234 20 0 BDADLO CCSCC[N@@H+](CC)CC(=O)OC ZINC000126253783 384748025 /nfs/dbraw/zinc/74/80/25/384748025.db2.gz ILIVUEFHZXZFRP-UHFFFAOYSA-N 1 2 205.323 1.234 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1C[C@H]1C ZINC000449625967 384751409 /nfs/dbraw/zinc/75/14/09/384751409.db2.gz CQBCMCIKIBFDBK-VGMNWLOBSA-N 1 2 207.264 1.590 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1C[C@H]1C ZINC000449625967 384751417 /nfs/dbraw/zinc/75/14/17/384751417.db2.gz CQBCMCIKIBFDBK-VGMNWLOBSA-N 1 2 207.264 1.590 20 0 BDADLO CC[C@H]([NH2+]CCc1ccccc1)C(=O)OC ZINC000083351365 384762714 /nfs/dbraw/zinc/76/27/14/384762714.db2.gz ALMDMFGYRFAKNS-LBPRGKRZSA-N 1 2 221.300 1.770 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689774 384828528 /nfs/dbraw/zinc/82/85/28/384828528.db2.gz MMZXJWWQUMBAEV-VWYCJHECSA-N 1 2 207.277 1.128 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nn(C)cc1Cl ZINC000335504477 384831373 /nfs/dbraw/zinc/83/13/73/384831373.db2.gz UFAOYHQZFFOXES-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nn(C)cc1Cl ZINC000335504477 384831381 /nfs/dbraw/zinc/83/13/81/384831381.db2.gz UFAOYHQZFFOXES-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(N)=O ZINC000310028670 384792625 /nfs/dbraw/zinc/79/26/25/384792625.db2.gz QKHCJRFCBWYQLV-MRVPVSSYSA-N 1 2 222.292 1.276 20 0 BDADLO CC(C)=CCNC(=O)Cc1c[nH+]cn1C ZINC000568312185 384796975 /nfs/dbraw/zinc/79/69/75/384796975.db2.gz ACVVDXSTGPYEST-UHFFFAOYSA-N 1 2 207.277 1.045 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccccn1 ZINC000186325879 384836804 /nfs/dbraw/zinc/83/68/04/384836804.db2.gz SROFAANIDGPMMR-CYBMUJFWSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccccn1 ZINC000186325879 384836807 /nfs/dbraw/zinc/83/68/07/384836807.db2.gz SROFAANIDGPMMR-CYBMUJFWSA-N 1 2 234.299 1.609 20 0 BDADLO CCC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000376940397 384807620 /nfs/dbraw/zinc/80/76/20/384807620.db2.gz GXRUIXJVGSKONF-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO CNc1nc(CNc2cc(C)[nH+]cn2)cs1 ZINC000301485620 384877518 /nfs/dbraw/zinc/87/75/18/384877518.db2.gz WSGADHZNTNTGCJ-UHFFFAOYSA-N 1 2 235.316 1.895 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000310131524 384852242 /nfs/dbraw/zinc/85/22/42/384852242.db2.gz YGHYPWQHVMYNNA-WOPDTQHZSA-N 1 2 243.347 1.731 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000360176498 384889164 /nfs/dbraw/zinc/88/91/64/384889164.db2.gz WEDSZOKQUQBQHO-QWRGUYRKSA-N 1 2 236.315 1.669 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cncn1C ZINC000177075455 384867000 /nfs/dbraw/zinc/86/70/00/384867000.db2.gz PMQILEKTZAHARI-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cncn1C ZINC000177075455 384867009 /nfs/dbraw/zinc/86/70/09/384867009.db2.gz PMQILEKTZAHARI-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@H]1COCCN1Cc1c[nH+]cn1C ZINC000177075455 384867015 /nfs/dbraw/zinc/86/70/15/384867015.db2.gz PMQILEKTZAHARI-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000647292631 384867327 /nfs/dbraw/zinc/86/73/27/384867327.db2.gz HLUUDWMABWYODS-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1nccs1 ZINC000175097011 384867745 /nfs/dbraw/zinc/86/77/45/384867745.db2.gz FSOANVBVLIWJSW-UHFFFAOYSA-N 1 2 214.334 2.000 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1nccs1 ZINC000175097011 384867750 /nfs/dbraw/zinc/86/77/50/384867750.db2.gz FSOANVBVLIWJSW-UHFFFAOYSA-N 1 2 214.334 2.000 20 0 BDADLO CN(Cc1ccco1)C(=O)NCc1c[nH+]cn1C ZINC000291758518 384869877 /nfs/dbraw/zinc/86/98/77/384869877.db2.gz DOKXHYAETPSTNE-UHFFFAOYSA-N 1 2 248.286 1.355 20 0 BDADLO Cc1c(NCc2[nH]cc[nH+]2)n[nH]c1C(C)C ZINC000647240901 384949269 /nfs/dbraw/zinc/94/92/69/384949269.db2.gz XNNZSEQNVRXDBI-UHFFFAOYSA-N 1 2 219.292 1.599 20 0 BDADLO Cc1c(NCc2c[nH+]cn2C)n[nH]c1C(C)C ZINC000647240646 384950075 /nfs/dbraw/zinc/95/00/75/384950075.db2.gz CEEWQQFYWHIRHU-UHFFFAOYSA-N 1 2 233.319 1.609 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC=CCC1 ZINC000291782573 384903017 /nfs/dbraw/zinc/90/30/17/384903017.db2.gz GEKNETRIHLTIQC-NSHDSACASA-N 1 2 248.330 1.576 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CC(=O)NC ZINC000586768309 384916251 /nfs/dbraw/zinc/91/62/51/384916251.db2.gz PFUMNKXZWRXLDV-UHFFFAOYSA-N 1 2 212.215 1.007 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC ZINC000586768309 384916258 /nfs/dbraw/zinc/91/62/58/384916258.db2.gz PFUMNKXZWRXLDV-UHFFFAOYSA-N 1 2 212.215 1.007 20 0 BDADLO Cc1ccc(NCc2c[nH+]cn2C)cn1 ZINC000128054388 384923262 /nfs/dbraw/zinc/92/32/62/384923262.db2.gz NWEGADFCMFIREI-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cn1ncnc1SCc1cc[nH+]c(N)c1 ZINC000128025101 384924604 /nfs/dbraw/zinc/92/46/04/384924604.db2.gz ZBKYWGYDZLWMFQ-UHFFFAOYSA-N 1 2 221.289 1.085 20 0 BDADLO C[N@@H+](Cc1ccns1)C[C@H](O)C(F)(F)F ZINC000404375165 384973209 /nfs/dbraw/zinc/97/32/09/384973209.db2.gz DLAXHLRUKUENQA-ZETCQYMHSA-N 1 2 240.250 1.498 20 0 BDADLO C[N@H+](Cc1ccns1)C[C@H](O)C(F)(F)F ZINC000404375165 384973210 /nfs/dbraw/zinc/97/32/10/384973210.db2.gz DLAXHLRUKUENQA-ZETCQYMHSA-N 1 2 240.250 1.498 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000156857000 384993144 /nfs/dbraw/zinc/99/31/44/384993144.db2.gz OLDXHNGXFKWHSV-MRVPVSSYSA-N 1 2 248.252 1.904 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC000156857000 384993151 /nfs/dbraw/zinc/99/31/51/384993151.db2.gz OLDXHNGXFKWHSV-MRVPVSSYSA-N 1 2 248.252 1.904 20 0 BDADLO Cc1nsc(NCc2ccc(N)[nH+]c2)n1 ZINC000302801109 385008420 /nfs/dbraw/zinc/00/84/20/385008420.db2.gz CJZPPPAWUCTJEO-UHFFFAOYSA-N 1 2 221.289 1.436 20 0 BDADLO CC[C@H](NC(=O)c1conc1C)c1[nH]cc[nH+]1 ZINC000402591133 385017903 /nfs/dbraw/zinc/01/79/03/385017903.db2.gz JXWWIOOPVIRFOE-VIFPVBQESA-N 1 2 234.259 1.587 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)C(=O)OC ZINC000310025179 385053492 /nfs/dbraw/zinc/05/34/92/385053492.db2.gz OWOZKFWAPFQLMF-YTWAJWBKSA-N 1 2 227.304 1.095 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCCCF ZINC000360802341 385068874 /nfs/dbraw/zinc/06/88/74/385068874.db2.gz LWVVGXTVSLMLPU-UHFFFAOYSA-N 1 2 213.256 1.208 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCCCF ZINC000360802341 385068884 /nfs/dbraw/zinc/06/88/84/385068884.db2.gz LWVVGXTVSLMLPU-UHFFFAOYSA-N 1 2 213.256 1.208 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCOCC2)o1 ZINC000407947329 385077116 /nfs/dbraw/zinc/07/71/16/385077116.db2.gz AKDAMTYNUNCPGI-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCOCC2)o1 ZINC000407947329 385077119 /nfs/dbraw/zinc/07/71/19/385077119.db2.gz AKDAMTYNUNCPGI-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000557752895 385112918 /nfs/dbraw/zinc/11/29/18/385112918.db2.gz LWTUEUFZCXAAQO-WPRPVWTQSA-N 1 2 228.299 1.675 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000310038204 385119756 /nfs/dbraw/zinc/11/97/56/385119756.db2.gz VWGDXRNMAXGASH-JQWIXIFHSA-N 1 2 231.336 1.325 20 0 BDADLO c1[nH+]c2ccccn2c1CN1CCO[C@H]2C[C@H]21 ZINC000644717516 385135763 /nfs/dbraw/zinc/13/57/63/385135763.db2.gz XLSQXDVMTPXJME-NEPJUHHUSA-N 1 2 229.283 1.307 20 0 BDADLO CC1=CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000646966771 385091079 /nfs/dbraw/zinc/09/10/79/385091079.db2.gz JZUNWIQUKXDPHX-UHFFFAOYSA-N 1 2 233.315 1.866 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000287116880 385093909 /nfs/dbraw/zinc/09/39/09/385093909.db2.gz CPDJIXMDMOMEAR-QWRGUYRKSA-N 1 2 248.330 1.402 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000287116880 385093914 /nfs/dbraw/zinc/09/39/14/385093914.db2.gz CPDJIXMDMOMEAR-QWRGUYRKSA-N 1 2 248.330 1.402 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)OC ZINC000313000369 385098943 /nfs/dbraw/zinc/09/89/43/385098943.db2.gz XOBCOLGEQAFSAQ-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cncc(C)c1 ZINC000189895634 385193893 /nfs/dbraw/zinc/19/38/93/385193893.db2.gz YATUPAWBUVRUGA-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cncc(C)c1 ZINC000189895634 385193897 /nfs/dbraw/zinc/19/38/97/385193897.db2.gz YATUPAWBUVRUGA-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2CCCOC2)c(C)[nH+]1 ZINC000176762016 385145286 /nfs/dbraw/zinc/14/52/86/385145286.db2.gz VOJCKTZEOITPCR-NSHDSACASA-N 1 2 249.314 1.999 20 0 BDADLO CCONC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000109354394 385149995 /nfs/dbraw/zinc/14/99/95/385149995.db2.gz OXHFONGYTOTAPJ-UHFFFAOYSA-N 1 2 248.286 1.393 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000336357859 385153352 /nfs/dbraw/zinc/15/33/52/385153352.db2.gz OFABGNFSKLSWRI-AAEUAGOBSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000336357859 385153356 /nfs/dbraw/zinc/15/33/56/385153356.db2.gz OFABGNFSKLSWRI-AAEUAGOBSA-N 1 2 235.331 1.482 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000106881389 385164058 /nfs/dbraw/zinc/16/40/58/385164058.db2.gz OBNVNQSZJXPYJO-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000106881389 385164063 /nfs/dbraw/zinc/16/40/63/385164063.db2.gz OBNVNQSZJXPYJO-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CC1(F)F ZINC000648313707 385172957 /nfs/dbraw/zinc/17/29/57/385172957.db2.gz YPAXHMSSBSXIKM-QMMMGPOBSA-N 1 2 237.209 1.928 20 0 BDADLO CCC[C@](C)(NCc1c[nH+]cn1C)C(=O)OC ZINC000177067154 385174726 /nfs/dbraw/zinc/17/47/26/385174726.db2.gz FOJGCECAYWPGQP-LBPRGKRZSA-N 1 2 239.319 1.242 20 0 BDADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C)on1 ZINC000279687780 385176132 /nfs/dbraw/zinc/17/61/32/385176132.db2.gz TXNJBKSSJIOMNO-VIFPVBQESA-N 1 2 246.332 1.068 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000189717033 385179371 /nfs/dbraw/zinc/17/93/71/385179371.db2.gz AUOPBDVHKDMOIS-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000189717033 385179375 /nfs/dbraw/zinc/17/93/75/385179375.db2.gz AUOPBDVHKDMOIS-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000107821417 385213178 /nfs/dbraw/zinc/21/31/78/385213178.db2.gz FWLJEIBLEMNBHM-MRVPVSSYSA-N 1 2 226.301 1.138 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000107821417 385213179 /nfs/dbraw/zinc/21/31/79/385213179.db2.gz FWLJEIBLEMNBHM-MRVPVSSYSA-N 1 2 226.301 1.138 20 0 BDADLO C[C@H]1COCCN1c1cc[nH+]c(C2CC2)n1 ZINC000110129100 385216546 /nfs/dbraw/zinc/21/65/46/385216546.db2.gz XVSBWWRHWDJTCJ-VIFPVBQESA-N 1 2 219.288 1.579 20 0 BDADLO Fc1ccc(C[NH2+]Cc2cscn2)nc1 ZINC000308873927 385238272 /nfs/dbraw/zinc/23/82/72/385238272.db2.gz MENIMUIOYSZCIN-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)c1cnn(C)c1 ZINC000044500259 385205553 /nfs/dbraw/zinc/20/55/53/385205553.db2.gz NTIYWWNONKQZJU-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC(C)(C)CO ZINC000294916294 385311093 /nfs/dbraw/zinc/31/10/93/385311093.db2.gz IREHCTMMHRTLSR-UHFFFAOYSA-N 1 2 249.318 1.184 20 0 BDADLO CC[C@@H]([NH2+]CCOC(F)(F)F)C(=O)OC ZINC000308964560 385316878 /nfs/dbraw/zinc/31/68/78/385316878.db2.gz LOIOSPWKAQZRRE-ZCFIWIBFSA-N 1 2 229.198 1.064 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(C)C)s1 ZINC000178715902 385317995 /nfs/dbraw/zinc/31/79/95/385317995.db2.gz SYXBUNUASUYVKN-MRVPVSSYSA-N 1 2 241.360 1.360 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(C)C)s1 ZINC000178715902 385317997 /nfs/dbraw/zinc/31/79/97/385317997.db2.gz SYXBUNUASUYVKN-MRVPVSSYSA-N 1 2 241.360 1.360 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)C(C)(C)C)cs1 ZINC000131305321 385324475 /nfs/dbraw/zinc/32/44/75/385324475.db2.gz GJNHPNGSBCHONZ-UHFFFAOYSA-N 1 2 241.360 1.537 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)C(C)(C)C)cs1 ZINC000131305321 385324480 /nfs/dbraw/zinc/32/44/80/385324480.db2.gz GJNHPNGSBCHONZ-UHFFFAOYSA-N 1 2 241.360 1.537 20 0 BDADLO O=C1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCN1 ZINC000177672798 385271963 /nfs/dbraw/zinc/27/19/63/385271963.db2.gz MSARBFJQKKBAGG-LBPRGKRZSA-N 1 2 234.274 1.245 20 0 BDADLO O=C1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCN1 ZINC000177672798 385271967 /nfs/dbraw/zinc/27/19/67/385271967.db2.gz MSARBFJQKKBAGG-LBPRGKRZSA-N 1 2 234.274 1.245 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000424975072 385275782 /nfs/dbraw/zinc/27/57/82/385275782.db2.gz SXTOBXOQJRXFTA-MWLCHTKSSA-N 1 2 231.299 1.114 20 0 BDADLO Cc1cc(C[N@H+](CC(N)=O)C(C)(C)C)on1 ZINC000177841473 385291817 /nfs/dbraw/zinc/29/18/17/385291817.db2.gz UTMJXJBWYRVYTF-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)on1 ZINC000177841473 385291825 /nfs/dbraw/zinc/29/18/25/385291825.db2.gz UTMJXJBWYRVYTF-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO CCC[C@@]1([NH2+]Cc2ccn[nH]2)CCOC1 ZINC000308925062 385297999 /nfs/dbraw/zinc/29/79/99/385297999.db2.gz IANGBZUAWPCEMO-LLVKDONJSA-N 1 2 209.293 1.459 20 0 BDADLO CCO[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)C ZINC000625449880 385300162 /nfs/dbraw/zinc/30/01/62/385300162.db2.gz DMRKRLDJVRRBEM-LLVKDONJSA-N 1 2 239.319 1.130 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccc(C)c1F ZINC000648361833 385333964 /nfs/dbraw/zinc/33/39/64/385333964.db2.gz ZBJPFDIYHKKUIA-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccc(C)c1F ZINC000648361833 385333968 /nfs/dbraw/zinc/33/39/68/385333968.db2.gz ZBJPFDIYHKKUIA-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191959068 385336257 /nfs/dbraw/zinc/33/62/57/385336257.db2.gz BQTSKHRQDPQHBM-OUAUKWLOSA-N 1 2 231.336 1.467 20 0 BDADLO O=C(CCCC1CC1)NCCn1cc[nH+]c1 ZINC000643150834 385339066 /nfs/dbraw/zinc/33/90/66/385339066.db2.gz NKGXWGSHQIIXFX-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO c1nc(N2CCOCC2)cc(NCC2CCC2)[nH+]1 ZINC000192276646 385350796 /nfs/dbraw/zinc/35/07/96/385350796.db2.gz CZFUPYXQJCJEAO-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO c1nc(NCC2CCC2)cc(N2CCOCC2)[nH+]1 ZINC000192276646 385350798 /nfs/dbraw/zinc/35/07/98/385350798.db2.gz CZFUPYXQJCJEAO-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)co1 ZINC000161563973 385358031 /nfs/dbraw/zinc/35/80/31/385358031.db2.gz LUMOGXHXOPTVEN-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO CSC[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114340034 385361557 /nfs/dbraw/zinc/36/15/57/385361557.db2.gz BEDPCCVXEPKYOH-ZETCQYMHSA-N 1 2 213.306 1.025 20 0 BDADLO CC[C@H]([NH2+]CCOCCC(C)C)C(=O)OC ZINC000168338702 385363175 /nfs/dbraw/zinc/36/31/75/385363175.db2.gz FSUZFEJVPRXJDV-NSHDSACASA-N 1 2 231.336 1.590 20 0 BDADLO Cc1nc(N[C@@H](C)Cn2ccnc2)c(C)c(C)[nH+]1 ZINC000359454947 385364122 /nfs/dbraw/zinc/36/41/22/385364122.db2.gz NGFNRHKIFBPOKS-VIFPVBQESA-N 1 2 245.330 1.521 20 0 BDADLO C[C@H](NCC[N@@H+]1CC=CCC1)c1cnccn1 ZINC000280882205 385379575 /nfs/dbraw/zinc/37/95/75/385379575.db2.gz DNGZXEIUYLBMRU-LBPRGKRZSA-N 1 2 232.331 1.389 20 0 BDADLO Cc1ccoc1C[N@H+](C)CCS(C)(=O)=O ZINC000155189155 385379947 /nfs/dbraw/zinc/37/99/47/385379947.db2.gz PNJCGLMKRHGYSV-UHFFFAOYSA-N 1 2 231.317 1.064 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CCS(C)(=O)=O ZINC000155189155 385379949 /nfs/dbraw/zinc/37/99/49/385379949.db2.gz PNJCGLMKRHGYSV-UHFFFAOYSA-N 1 2 231.317 1.064 20 0 BDADLO CC[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000110111146 385381497 /nfs/dbraw/zinc/38/14/97/385381497.db2.gz KEMCICUSEWPVJL-VIFPVBQESA-N 1 2 207.277 1.537 20 0 BDADLO Cc1cnc(C[N@H+](CC(N)=O)C(C)(C)C)o1 ZINC000131339843 385328180 /nfs/dbraw/zinc/32/81/80/385328180.db2.gz QUTKNKZUUHAYGS-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1cnc(C[N@@H+](CC(N)=O)C(C)(C)C)o1 ZINC000131339843 385328183 /nfs/dbraw/zinc/32/81/83/385328183.db2.gz QUTKNKZUUHAYGS-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)c1cccnc1 ZINC000309071426 385401919 /nfs/dbraw/zinc/40/19/19/385401919.db2.gz DOTUVNMSBGIOAD-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(CO)o2)cn1 ZINC000169058336 385402108 /nfs/dbraw/zinc/40/21/08/385402108.db2.gz AWBQXQPSTZVKAX-UHFFFAOYSA-N 1 2 235.287 1.137 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(CO)o2)cn1 ZINC000169058336 385402113 /nfs/dbraw/zinc/40/21/13/385402113.db2.gz AWBQXQPSTZVKAX-UHFFFAOYSA-N 1 2 235.287 1.137 20 0 BDADLO CC(C)[C@@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178649394 385403476 /nfs/dbraw/zinc/40/34/76/385403476.db2.gz JWVUBIBLHJKACF-NSHDSACASA-N 1 2 247.298 1.081 20 0 BDADLO c1cc(N2CCOCC2)[nH+]cc1N[C@H]1CCOC1 ZINC000109430448 385410719 /nfs/dbraw/zinc/41/07/19/385410719.db2.gz IUACBGQSKNHNTJ-LBPRGKRZSA-N 1 2 249.314 1.119 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000449034306 385439541 /nfs/dbraw/zinc/43/95/41/385439541.db2.gz ITXJCIGONYAFIU-GHMZBOCLSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000449034306 385439548 /nfs/dbraw/zinc/43/95/48/385439548.db2.gz ITXJCIGONYAFIU-GHMZBOCLSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000449034307 385440567 /nfs/dbraw/zinc/44/05/67/385440567.db2.gz ITXJCIGONYAFIU-MNOVXSKESA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000449034307 385440570 /nfs/dbraw/zinc/44/05/70/385440570.db2.gz ITXJCIGONYAFIU-MNOVXSKESA-N 1 2 238.335 1.216 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182364921 385441864 /nfs/dbraw/zinc/44/18/64/385441864.db2.gz DGPSHUNXJMYYGC-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCCOC1 ZINC000170792480 385446028 /nfs/dbraw/zinc/44/60/28/385446028.db2.gz WACBPQIAERUKIV-SNVBAGLBSA-N 1 2 249.314 1.513 20 0 BDADLO O=C1NCC[C@H]1Sc1[nH+]cc2ccccn21 ZINC000178999657 385432454 /nfs/dbraw/zinc/43/24/54/385432454.db2.gz IGYHSSGMEOQULB-SECBINFHSA-N 1 2 233.296 1.315 20 0 BDADLO COCc1noc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000182331682 385438000 /nfs/dbraw/zinc/43/80/00/385438000.db2.gz JKCFMABKNNDMHN-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO COCc1noc(C[N@H+]2CCSC[C@H]2C)n1 ZINC000182331682 385438001 /nfs/dbraw/zinc/43/80/01/385438001.db2.gz JKCFMABKNNDMHN-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO CCOc1cccc(C[N@H+](C)CC(=O)OC)c1 ZINC000179392653 385465232 /nfs/dbraw/zinc/46/52/32/385465232.db2.gz KOOGOQDAIWIWRC-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CCOc1cccc(C[N@@H+](C)CC(=O)OC)c1 ZINC000179392653 385465237 /nfs/dbraw/zinc/46/52/37/385465237.db2.gz KOOGOQDAIWIWRC-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000156582223 385459287 /nfs/dbraw/zinc/45/92/87/385459287.db2.gz IFLCBGHVOSNPEW-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000156582223 385459292 /nfs/dbraw/zinc/45/92/92/385459292.db2.gz IFLCBGHVOSNPEW-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nccn1C(F)F ZINC000179348890 385461535 /nfs/dbraw/zinc/46/15/35/385461535.db2.gz WOIRIGWAOWGMDA-UHFFFAOYSA-N 1 2 241.245 1.633 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nccn1C(F)F ZINC000179348890 385461538 /nfs/dbraw/zinc/46/15/38/385461538.db2.gz WOIRIGWAOWGMDA-UHFFFAOYSA-N 1 2 241.245 1.633 20 0 BDADLO CC[C@H](CNC(=O)CCCn1cc[nH+]c1)OC ZINC000642996783 385494507 /nfs/dbraw/zinc/49/45/07/385494507.db2.gz KXBWBDNNJRIOPD-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO Cn1ncnc1C[N@H+](C)Cc1ccccc1 ZINC000157312473 385496250 /nfs/dbraw/zinc/49/62/50/385496250.db2.gz VTAMOGYCRWGANW-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1ncnc1C[N@@H+](C)Cc1ccccc1 ZINC000157312473 385496253 /nfs/dbraw/zinc/49/62/53/385496253.db2.gz VTAMOGYCRWGANW-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cn[nH]c1C ZINC000179896883 385498996 /nfs/dbraw/zinc/49/89/96/385498996.db2.gz WBEROWYZZLFCMS-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1cn[nH]c1C ZINC000179896883 385499000 /nfs/dbraw/zinc/49/90/00/385499000.db2.gz WBEROWYZZLFCMS-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364743399 385509327 /nfs/dbraw/zinc/50/93/27/385509327.db2.gz QIHBQSJHLQHQNB-WCQYABFASA-N 1 2 249.310 1.701 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364743399 385509331 /nfs/dbraw/zinc/50/93/31/385509331.db2.gz QIHBQSJHLQHQNB-WCQYABFASA-N 1 2 249.310 1.701 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179779549 385489380 /nfs/dbraw/zinc/48/93/80/385489380.db2.gz SPYFROYCBSFZDJ-SECBINFHSA-N 1 2 245.282 1.432 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCOC2)n1C1CC1 ZINC000106879693 385538779 /nfs/dbraw/zinc/53/87/79/385538779.db2.gz YPKSGMQXDPUGHA-LLVKDONJSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCOC2)n1C1CC1 ZINC000106879693 385538782 /nfs/dbraw/zinc/53/87/82/385538782.db2.gz YPKSGMQXDPUGHA-LLVKDONJSA-N 1 2 236.319 1.142 20 0 BDADLO c1cc(N2CCO[C@H]3C[C@H]32)nc(C2CC2)[nH+]1 ZINC000644136047 385519010 /nfs/dbraw/zinc/51/90/10/385519010.db2.gz IOGWZQXLTUCAJW-ZJUUUORDSA-N 1 2 217.272 1.332 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000309318237 385528686 /nfs/dbraw/zinc/52/86/86/385528686.db2.gz PTFDUENTDKDDOS-KOLCDFICSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000309318237 385528688 /nfs/dbraw/zinc/52/86/88/385528688.db2.gz PTFDUENTDKDDOS-KOLCDFICSA-N 1 2 241.360 1.664 20 0 BDADLO C(=C\c1ccccc1)\C[N@@H+]1CCn2cnnc2C1 ZINC000591914781 385565137 /nfs/dbraw/zinc/56/51/37/385565137.db2.gz HGDVEYRFKNRCAN-DAXSKMNVSA-N 1 2 240.310 1.807 20 0 BDADLO C(=C\c1ccccc1)\C[N@H+]1CCn2cnnc2C1 ZINC000591914781 385565139 /nfs/dbraw/zinc/56/51/39/385565139.db2.gz HGDVEYRFKNRCAN-DAXSKMNVSA-N 1 2 240.310 1.807 20 0 BDADLO CCc1nc(N2CCOC(C)(C)C2)cc(C)[nH+]1 ZINC000339975892 385599636 /nfs/dbraw/zinc/59/96/36/385599636.db2.gz NZQDMUSPWNQOTQ-UHFFFAOYSA-N 1 2 235.331 1.963 20 0 BDADLO COC(=O)[C@H](C)N(C)Cc1cccc2[nH+]ccn21 ZINC000280766986 385600855 /nfs/dbraw/zinc/60/08/55/385600855.db2.gz FVRJILJGWBZNAF-JTQLQIEISA-N 1 2 247.298 1.328 20 0 BDADLO Cc1ccncc1C[NH+]1CCN(C2CC2)CC1 ZINC000269546852 385605131 /nfs/dbraw/zinc/60/51/31/385605131.db2.gz CNSROHYVGKRVRV-UHFFFAOYSA-N 1 2 231.343 1.670 20 0 BDADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000309479647 385605287 /nfs/dbraw/zinc/60/52/87/385605287.db2.gz SQOHKBRKVHKRSH-SNVBAGLBSA-N 1 2 240.376 1.109 20 0 BDADLO Cc1cnc(NC[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000309479647 385605288 /nfs/dbraw/zinc/60/52/88/385605288.db2.gz SQOHKBRKVHKRSH-SNVBAGLBSA-N 1 2 240.376 1.109 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](OC)C(C)C)C1CC1 ZINC000309458659 385590031 /nfs/dbraw/zinc/59/00/31/385590031.db2.gz NHFHTCXLTHNQQZ-WDEREUQCSA-N 1 2 229.320 1.199 20 0 BDADLO COC[C@@H]([NH2+]C[C@H](C)CC(C)C)C(=O)OC ZINC000309461085 385592261 /nfs/dbraw/zinc/59/22/61/385592261.db2.gz NWBRETGEMPBFDW-GHMZBOCLSA-N 1 2 231.336 1.446 20 0 BDADLO CN(C)c1ncc(C[N@H+](C)Cc2ccc[nH]2)cn1 ZINC000354025640 385614598 /nfs/dbraw/zinc/61/45/98/385614598.db2.gz HHGIDBDQHKYAMR-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc[nH]2)cn1 ZINC000354025640 385614608 /nfs/dbraw/zinc/61/46/08/385614608.db2.gz HHGIDBDQHKYAMR-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C)CO1 ZINC000493828501 385625237 /nfs/dbraw/zinc/62/52/37/385625237.db2.gz VJEZUBFHIQMBOQ-HIHHVFROSA-N 1 2 235.287 1.059 20 0 BDADLO CC[C@@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281031643 385627654 /nfs/dbraw/zinc/62/76/54/385627654.db2.gz PHACHUGMRYUGHO-VIFPVBQESA-N 1 2 248.286 1.227 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000290162156 385628688 /nfs/dbraw/zinc/62/86/88/385628688.db2.gz MAVBQDJQQXEVPN-LSJOCFKGSA-N 1 2 226.276 1.047 20 0 BDADLO C[C@H]1CN(Cc2cnn[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000451054812 385632229 /nfs/dbraw/zinc/63/22/29/385632229.db2.gz LZTPELGPVRUOSE-NSHDSACASA-N 1 2 249.362 1.111 20 0 BDADLO C[C@H]1CN(Cc2cnn[nH]2)CC[N@H+](C2CCC2)C1 ZINC000451054812 385632232 /nfs/dbraw/zinc/63/22/32/385632232.db2.gz LZTPELGPVRUOSE-NSHDSACASA-N 1 2 249.362 1.111 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+](C)CC(C)C ZINC000269578952 385609783 /nfs/dbraw/zinc/60/97/83/385609783.db2.gz PDJHTCVBIMWPJY-GFCCVEGCSA-N 1 2 236.315 1.884 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CC(C)C ZINC000269578952 385609789 /nfs/dbraw/zinc/60/97/89/385609789.db2.gz PDJHTCVBIMWPJY-GFCCVEGCSA-N 1 2 236.315 1.884 20 0 BDADLO CS[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000269838694 385638996 /nfs/dbraw/zinc/63/89/96/385638996.db2.gz NPWQMMAVSCRZAL-VIFPVBQESA-N 1 2 227.333 1.141 20 0 BDADLO CC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000336733956 385650439 /nfs/dbraw/zinc/65/04/39/385650439.db2.gz KNTSIQXHTSUSOL-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337406381 385651365 /nfs/dbraw/zinc/65/13/65/385651365.db2.gz MZJAXICGZXXSDI-IUCAKERBSA-N 1 2 239.331 1.830 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337406381 385651366 /nfs/dbraw/zinc/65/13/66/385651366.db2.gz MZJAXICGZXXSDI-IUCAKERBSA-N 1 2 239.331 1.830 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2CSC[C@H]2C)no1 ZINC000309521732 385659678 /nfs/dbraw/zinc/65/96/78/385659678.db2.gz AOYHVSHNYUBCJU-RKDXNWHRSA-N 1 2 241.360 1.863 20 0 BDADLO Cc1nnsc1CNc1ccc(CO)c[nH+]1 ZINC000647912892 385680520 /nfs/dbraw/zinc/68/05/20/385680520.db2.gz BEXNJRMHNLVAHV-UHFFFAOYSA-N 1 2 236.300 1.346 20 0 BDADLO CCN(CC(F)F)c1cc[nH+]c(C)n1 ZINC000182587946 385685696 /nfs/dbraw/zinc/68/56/96/385685696.db2.gz WLBGCFKOMXAJKX-UHFFFAOYSA-N 1 2 201.220 1.876 20 0 BDADLO O=C(c1cccnc1F)N1CC[NH+](C2CC2)CC1 ZINC000229920677 385688878 /nfs/dbraw/zinc/68/88/78/385688878.db2.gz HIAOKUVSWPXOSC-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO Cc1cnc(NCCNc2cccc[nH+]2)nc1 ZINC000270249007 385689949 /nfs/dbraw/zinc/68/99/49/385689949.db2.gz UHIQQADTSZXQNU-UHFFFAOYSA-N 1 2 229.287 1.704 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337504841 385690477 /nfs/dbraw/zinc/69/04/77/385690477.db2.gz DYBBTWSMXHIBOR-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337504841 385690480 /nfs/dbraw/zinc/69/04/80/385690480.db2.gz DYBBTWSMXHIBOR-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337504838 385690891 /nfs/dbraw/zinc/69/08/91/385690891.db2.gz DYBBTWSMXHIBOR-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337504838 385690898 /nfs/dbraw/zinc/69/08/98/385690898.db2.gz DYBBTWSMXHIBOR-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCO[C@@H](C)C2)nc1 ZINC000645224758 385692136 /nfs/dbraw/zinc/69/21/36/385692136.db2.gz AUXDICIAFLNFJF-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccc(C[N@H+]2CCO[C@@H](C)C2)nc1 ZINC000645224758 385692142 /nfs/dbraw/zinc/69/21/42/385692142.db2.gz AUXDICIAFLNFJF-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CCOCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270319738 385696039 /nfs/dbraw/zinc/69/60/39/385696039.db2.gz WHFJDNOAEALVSM-UHFFFAOYSA-N 1 2 236.319 1.747 20 0 BDADLO CCOCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270319738 385696045 /nfs/dbraw/zinc/69/60/45/385696045.db2.gz WHFJDNOAEALVSM-UHFFFAOYSA-N 1 2 236.319 1.747 20 0 BDADLO CC/C=C/CC[NH2+][C@@](C)(COC)C(=O)OC ZINC000184706361 385698806 /nfs/dbraw/zinc/69/88/06/385698806.db2.gz VETGPVXPTOFDRB-SYTKJHMZSA-N 1 2 229.320 1.510 20 0 BDADLO CC[C@H](NC(=O)c1cnc(C)[nH]1)c1[nH]cc[nH+]1 ZINC000354133487 385704616 /nfs/dbraw/zinc/70/46/16/385704616.db2.gz GEMDHODAZJDRBG-QMMMGPOBSA-N 1 2 233.275 1.322 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)C(C)C)no1 ZINC000336687778 385705365 /nfs/dbraw/zinc/70/53/65/385705365.db2.gz UMZQHWBDNHVBAR-SECBINFHSA-N 1 2 227.308 1.220 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000270437264 385707446 /nfs/dbraw/zinc/70/74/46/385707446.db2.gz DPCUCUTYIKTPIA-GXSJLCMTSA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000408457632 385708561 /nfs/dbraw/zinc/70/85/61/385708561.db2.gz PTRKVAZLAKNYDU-RKDXNWHRSA-N 1 2 241.314 1.113 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000408457632 385708564 /nfs/dbraw/zinc/70/85/64/385708564.db2.gz PTRKVAZLAKNYDU-RKDXNWHRSA-N 1 2 241.314 1.113 20 0 BDADLO C[C@@](O)(C[N@@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000281891170 385712647 /nfs/dbraw/zinc/71/26/47/385712647.db2.gz DWASROCJECLCTR-SECBINFHSA-N 1 2 249.236 1.081 20 0 BDADLO C[C@@](O)(C[N@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000281891170 385712650 /nfs/dbraw/zinc/71/26/50/385712650.db2.gz DWASROCJECLCTR-SECBINFHSA-N 1 2 249.236 1.081 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]ccn2C)on1 ZINC000270558141 385716857 /nfs/dbraw/zinc/71/68/57/385716857.db2.gz RRIVVXCCSMIIAC-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000353339868 385670702 /nfs/dbraw/zinc/67/07/02/385670702.db2.gz XNGMWGQLGIONTH-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH+]ccn2C)no1 ZINC000270678358 385728928 /nfs/dbraw/zinc/72/89/28/385728928.db2.gz RWXSGHPRTHSXFG-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1csc([S@](=O)Cc2[nH+]ccn2C)n1 ZINC000129246880 385743104 /nfs/dbraw/zinc/74/31/04/385743104.db2.gz HRIMUIMUKZJXEU-HNNXBMFYSA-N 1 2 241.341 1.493 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000336724707 385744202 /nfs/dbraw/zinc/74/42/02/385744202.db2.gz GAKRDPDGDFCZFB-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H](C)COC)C(=O)OCC ZINC000309616949 385744637 /nfs/dbraw/zinc/74/46/37/385744637.db2.gz DCSOUMWKFJMUNB-BZCKNUJPSA-N 1 2 229.320 1.509 20 0 BDADLO Cc1cnc(N(C)Cc2[nH+]ccn2C)nc1C ZINC000270882429 385755212 /nfs/dbraw/zinc/75/52/12/385755212.db2.gz ASZZMKASDJMXCC-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO Cc1cc(NCCC2CCOCC2)nc[nH+]1 ZINC000336655703 385761220 /nfs/dbraw/zinc/76/12/20/385761220.db2.gz KZIZKSWUDBFAMO-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1nsc(NCC23CCC[NH+]2CCC3)n1 ZINC000336700852 385761313 /nfs/dbraw/zinc/76/13/13/385761313.db2.gz NTBVLKSDLYSGQF-UHFFFAOYSA-N 1 2 238.360 1.309 20 0 BDADLO CCc1cccnc1C(=O)NCc1[nH]c[nH+]c1C ZINC000270961634 385764264 /nfs/dbraw/zinc/76/42/64/385764264.db2.gz NVXWORBXAHHFPZ-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCC(CC)[C@H](O)CNc1cc[nH+]c(C)n1 ZINC000230904965 385765046 /nfs/dbraw/zinc/76/50/46/385765046.db2.gz ULXJKWRBSPPYDM-LLVKDONJSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)CCO ZINC000270992524 385768146 /nfs/dbraw/zinc/76/81/46/385768146.db2.gz CAJMFPNSUXEUCO-VIFPVBQESA-N 1 2 237.303 1.530 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000271110959 385787292 /nfs/dbraw/zinc/78/72/92/385787292.db2.gz DLWIHNMZWGEHTE-MNOVXSKESA-N 1 2 224.329 1.896 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000271110959 385787299 /nfs/dbraw/zinc/78/72/99/385787299.db2.gz DLWIHNMZWGEHTE-MNOVXSKESA-N 1 2 224.329 1.896 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccn(C)n1 ZINC000271003263 385769448 /nfs/dbraw/zinc/76/94/48/385769448.db2.gz MBKMAMTTZLUQBL-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccn(C)n1 ZINC000271003263 385769454 /nfs/dbraw/zinc/76/94/54/385769454.db2.gz MBKMAMTTZLUQBL-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000282539853 385770861 /nfs/dbraw/zinc/77/08/61/385770861.db2.gz QXLITPGUKFUVQW-SOCHQFKDSA-N 1 2 237.303 1.148 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000271026914 385773036 /nfs/dbraw/zinc/77/30/36/385773036.db2.gz FUNUOGZEWDAZEK-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000271026914 385773042 /nfs/dbraw/zinc/77/30/42/385773042.db2.gz FUNUOGZEWDAZEK-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO C[C@H](O)C[N@H+](CCc1ccncc1)CC(F)F ZINC000451856438 385775023 /nfs/dbraw/zinc/77/50/23/385775023.db2.gz UKLAWFDMBYYGSL-JTQLQIEISA-N 1 2 244.285 1.572 20 0 BDADLO C[C@H](O)C[N@@H+](CCc1ccncc1)CC(F)F ZINC000451856438 385775029 /nfs/dbraw/zinc/77/50/29/385775029.db2.gz UKLAWFDMBYYGSL-JTQLQIEISA-N 1 2 244.285 1.572 20 0 BDADLO Cc1c(CN(C)Cc2[nH+]ccn2C)cnn1C ZINC000271044810 385776445 /nfs/dbraw/zinc/77/64/45/385776445.db2.gz VAYOQVRKAICGSA-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccncn1)c1[nH]cc[nH+]1 ZINC000282717665 385779573 /nfs/dbraw/zinc/77/95/73/385779573.db2.gz BHUHPKFUCVSKIY-SNVBAGLBSA-N 1 2 245.286 1.327 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)CC1CCC1 ZINC000282706487 385780389 /nfs/dbraw/zinc/78/03/89/385780389.db2.gz GHJWQAUSIJYHSI-ITKZLYELSA-N 1 2 249.314 1.090 20 0 BDADLO CO[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000282728722 385782131 /nfs/dbraw/zinc/78/21/31/385782131.db2.gz IEOAWTTUHSLWHI-KJDJKKKBSA-N 1 2 249.314 1.449 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc(Cl)ccc1F ZINC000259089249 385783188 /nfs/dbraw/zinc/78/31/88/385783188.db2.gz NJGAZHAYPCYFPG-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1F ZINC000259089249 385783189 /nfs/dbraw/zinc/78/31/89/385783189.db2.gz NJGAZHAYPCYFPG-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO Cc1n[nH]cc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000282735545 385783228 /nfs/dbraw/zinc/78/32/28/385783228.db2.gz CWNVMDVMNMMXST-JTQLQIEISA-N 1 2 247.302 1.568 20 0 BDADLO c1ncc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000294004895 385784235 /nfs/dbraw/zinc/78/42/35/385784235.db2.gz MMAWFRPTQQCOSC-KBPBESRZSA-N 1 2 245.326 1.620 20 0 BDADLO c1ncc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000294004895 385784241 /nfs/dbraw/zinc/78/42/41/385784241.db2.gz MMAWFRPTQQCOSC-KBPBESRZSA-N 1 2 245.326 1.620 20 0 BDADLO Cc1cncc(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000282765102 385784254 /nfs/dbraw/zinc/78/42/54/385784254.db2.gz OLLIYEFTKPBMAU-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cncc(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000282765102 385784257 /nfs/dbraw/zinc/78/42/57/385784257.db2.gz OLLIYEFTKPBMAU-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO COC(=O)c1cc(C[N@H+](C)Cc2ccon2)c[nH]1 ZINC000271182791 385801348 /nfs/dbraw/zinc/80/13/48/385801348.db2.gz IBPBIWJHVQKYOQ-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccon2)c[nH]1 ZINC000271182791 385801350 /nfs/dbraw/zinc/80/13/50/385801350.db2.gz IBPBIWJHVQKYOQ-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO Cc1nc(N2CC(n3cncn3)C2)c(C)c(C)[nH+]1 ZINC000365821249 385809707 /nfs/dbraw/zinc/80/97/07/385809707.db2.gz XFFZRELXOQMUNY-UHFFFAOYSA-N 1 2 244.302 1.055 20 0 BDADLO CCc1nc(C[NH+]2CCC(C)(CO)CC2)no1 ZINC000186918118 385813939 /nfs/dbraw/zinc/81/39/39/385813939.db2.gz VDGMHNXVMJQERO-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1CF ZINC000294161159 385815891 /nfs/dbraw/zinc/81/58/91/385815891.db2.gz RZJNPZLEMHTKRB-SNVBAGLBSA-N 1 2 225.267 1.234 20 0 BDADLO CCCCNC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000336740714 385820362 /nfs/dbraw/zinc/82/03/62/385820362.db2.gz QIUGTMHSHOKXAF-SECBINFHSA-N 1 2 225.292 1.242 20 0 BDADLO CN(Cc1cc[nH+]c(N)c1)CC(F)F ZINC000122877084 385821984 /nfs/dbraw/zinc/82/19/84/385821984.db2.gz HBZFYCOHYXJWHD-UHFFFAOYSA-N 1 2 201.220 1.361 20 0 BDADLO CC(C)CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294312847 385836695 /nfs/dbraw/zinc/83/66/95/385836695.db2.gz IHECWTHNPGNXFV-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO CC(C)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294312847 385836697 /nfs/dbraw/zinc/83/66/97/385836697.db2.gz IHECWTHNPGNXFV-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO CC[N@@H+](CCc1ccccc1)Cc1c[nH]nn1 ZINC000283971825 385842490 /nfs/dbraw/zinc/84/24/90/385842490.db2.gz IKXSPBLKIHVXEN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO CC[N@H+](CCc1ccccc1)Cc1cn[nH]n1 ZINC000283971825 385842493 /nfs/dbraw/zinc/84/24/93/385842493.db2.gz IKXSPBLKIHVXEN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO CC[N@@H+](CCc1ccccc1)Cc1cn[nH]n1 ZINC000283971825 385842495 /nfs/dbraw/zinc/84/24/95/385842495.db2.gz IKXSPBLKIHVXEN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnn[nH]2)cc1 ZINC000283978428 385842897 /nfs/dbraw/zinc/84/28/97/385842897.db2.gz ITWABENNIVZJJV-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnn[nH]2)cc1 ZINC000283978428 385842903 /nfs/dbraw/zinc/84/29/03/385842903.db2.gz ITWABENNIVZJJV-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644837212 385847493 /nfs/dbraw/zinc/84/74/93/385847493.db2.gz HWLOHWZHRGRGRP-WCBMZHEXSA-N 1 2 225.313 1.730 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644837212 385847495 /nfs/dbraw/zinc/84/74/95/385847495.db2.gz HWLOHWZHRGRGRP-WCBMZHEXSA-N 1 2 225.313 1.730 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CC1CCCC1 ZINC000337805380 385793873 /nfs/dbraw/zinc/79/38/73/385793873.db2.gz KHFLMMZSQKIWNG-ZDUSSCGKSA-N 1 2 237.347 1.749 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C(F)F ZINC000337814964 385794054 /nfs/dbraw/zinc/79/40/54/385794054.db2.gz OALHQNBRDOKEOA-RKDXNWHRSA-N 1 2 240.253 1.906 20 0 BDADLO CC[N@H+](CCOC(C)(C)C)CC(=O)OC ZINC000122167974 385890805 /nfs/dbraw/zinc/89/08/05/385890805.db2.gz LJXQEQAVTATVQH-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CC[N@@H+](CCOC(C)(C)C)CC(=O)OC ZINC000122167974 385890807 /nfs/dbraw/zinc/89/08/07/385890807.db2.gz LJXQEQAVTATVQH-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)cs1 ZINC000294825353 385902256 /nfs/dbraw/zinc/90/22/56/385902256.db2.gz MZZVKGMKYUVYON-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)cs1 ZINC000294825353 385902260 /nfs/dbraw/zinc/90/22/60/385902260.db2.gz MZZVKGMKYUVYON-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CCOC1 ZINC000408392037 385902875 /nfs/dbraw/zinc/90/28/75/385902875.db2.gz DIHLYQVNPUGYMK-SECBINFHSA-N 1 2 238.335 1.323 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CCOC1 ZINC000408392037 385902879 /nfs/dbraw/zinc/90/28/79/385902879.db2.gz DIHLYQVNPUGYMK-SECBINFHSA-N 1 2 238.335 1.323 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294871687 385907699 /nfs/dbraw/zinc/90/76/99/385907699.db2.gz USVGBLTUDAOIJN-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@H]2c2ccccc2)nn1 ZINC000335033969 385924341 /nfs/dbraw/zinc/92/43/41/385924341.db2.gz ZENLGJSWIRAAAK-ZDUSSCGKSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@H]2c2ccccc2)nn1 ZINC000335033969 385924348 /nfs/dbraw/zinc/92/43/48/385924348.db2.gz ZENLGJSWIRAAAK-ZDUSSCGKSA-N 1 2 228.299 1.762 20 0 BDADLO COC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000285417571 385925619 /nfs/dbraw/zinc/92/56/19/385925619.db2.gz BSQPNEZRGPGHFO-MNOVXSKESA-N 1 2 248.282 1.528 20 0 BDADLO C[C@H](F)CC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340472068 385866216 /nfs/dbraw/zinc/86/62/16/385866216.db2.gz ZSSHPEIGWGLFOY-GXSJLCMTSA-N 1 2 249.293 1.627 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1C ZINC000294580432 385870950 /nfs/dbraw/zinc/87/09/50/385870950.db2.gz QDWXWTVIHZUUNL-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1C ZINC000294580432 385870952 /nfs/dbraw/zinc/87/09/52/385870952.db2.gz QDWXWTVIHZUUNL-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOC2(CCC2)C1 ZINC000284551097 385875850 /nfs/dbraw/zinc/87/58/50/385875850.db2.gz XRYLKFWFGCOCBV-NSCUHMNNSA-N 1 2 247.298 1.204 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000294679142 385881862 /nfs/dbraw/zinc/88/18/62/385881862.db2.gz MUOKTRHTIZWQHR-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000294679142 385881866 /nfs/dbraw/zinc/88/18/66/385881866.db2.gz MUOKTRHTIZWQHR-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000294674757 385882181 /nfs/dbraw/zinc/88/21/81/385882181.db2.gz STPLWDWQXUQOOU-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)COCCN1CCn2c[nH+]cc2C1 ZINC000647940708 385882429 /nfs/dbraw/zinc/88/24/29/385882429.db2.gz SYFAUXJPHXFERW-UHFFFAOYSA-N 1 2 223.320 1.371 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336769698 385990160 /nfs/dbraw/zinc/99/01/60/385990160.db2.gz SGULCRCCFIIGSD-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000338235078 385931950 /nfs/dbraw/zinc/93/19/50/385931950.db2.gz HCVFEFZTJDYRAX-VXNVDRBHSA-N 1 2 227.333 1.364 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](O)C2)s1 ZINC000338235078 385931955 /nfs/dbraw/zinc/93/19/55/385931955.db2.gz HCVFEFZTJDYRAX-VXNVDRBHSA-N 1 2 227.333 1.364 20 0 BDADLO CCc1ccc([C@@H](CO)[NH2+]Cc2c[nH]cn2)cc1 ZINC000338270041 385934822 /nfs/dbraw/zinc/93/48/22/385934822.db2.gz DXKHIZQDKXDASO-CQSZACIVSA-N 1 2 245.326 1.795 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)s1 ZINC000338273492 385940225 /nfs/dbraw/zinc/94/02/25/385940225.db2.gz FSVCTQOVHHVDAC-DTWKUNHWSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)s1 ZINC000338273492 385940229 /nfs/dbraw/zinc/94/02/29/385940229.db2.gz FSVCTQOVHHVDAC-DTWKUNHWSA-N 1 2 241.360 1.876 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)s1 ZINC000643254816 385993417 /nfs/dbraw/zinc/99/34/17/385993417.db2.gz SJGAKTGWLPMPJA-BDAKNGLRSA-N 1 2 241.360 1.446 20 0 BDADLO COC(C[NH2+][C@H](C)c1c(F)cncc1F)OC ZINC000285572022 385944735 /nfs/dbraw/zinc/94/47/35/385944735.db2.gz HTCMRMODUYNGNX-SSDOTTSWSA-N 1 2 246.257 1.629 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)s1 ZINC000643254816 385993420 /nfs/dbraw/zinc/99/34/20/385993420.db2.gz SJGAKTGWLPMPJA-BDAKNGLRSA-N 1 2 241.360 1.446 20 0 BDADLO O=C1C[C@@H](Nc2cccc[nH+]2)[C@@H]2CCCCN12 ZINC000335050269 385947293 /nfs/dbraw/zinc/94/72/93/385947293.db2.gz LTELYVJSMBAQAF-MNOVXSKESA-N 1 2 231.299 1.647 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)s1 ZINC000338284627 385948930 /nfs/dbraw/zinc/94/89/30/385948930.db2.gz RUEKHHYOPCVEHE-NRPADANISA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)s1 ZINC000338284627 385948932 /nfs/dbraw/zinc/94/89/32/385948932.db2.gz RUEKHHYOPCVEHE-NRPADANISA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nc(C[N@@H+]2CCCN(C=O)CC2)cs1 ZINC000272947239 385955669 /nfs/dbraw/zinc/95/56/69/385955669.db2.gz OKCYZTXWCJVAFN-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1nc(C[N@H+]2CCCN(C=O)CC2)cs1 ZINC000272947239 385955674 /nfs/dbraw/zinc/95/56/74/385955674.db2.gz OKCYZTXWCJVAFN-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cccn2C)c[nH+]1 ZINC000335057725 385958240 /nfs/dbraw/zinc/95/82/40/385958240.db2.gz LGGAGXDBPBWVIP-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCCS1 ZINC000272998405 385958986 /nfs/dbraw/zinc/95/89/86/385958986.db2.gz UHYDQCUAKRADIC-SECBINFHSA-N 1 2 239.344 1.322 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000335015487 385971777 /nfs/dbraw/zinc/97/17/77/385971777.db2.gz GAUFSWVWPZWAOR-QWHCGFSZSA-N 1 2 235.327 1.775 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000335015487 385971778 /nfs/dbraw/zinc/97/17/78/385971778.db2.gz GAUFSWVWPZWAOR-QWHCGFSZSA-N 1 2 235.327 1.775 20 0 BDADLO Cc1oc(C(C)C)nc1C(=O)NCc1[nH]cc[nH+]1 ZINC000285885560 385974343 /nfs/dbraw/zinc/97/43/43/385974343.db2.gz JSSAYNDUZYZNRP-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CC(C)c1nc(N2CC[C@@](F)(CO)C2)cc[nH+]1 ZINC000338422769 386005037 /nfs/dbraw/zinc/00/50/37/386005037.db2.gz SFCKXPXTUBUBMF-LBPRGKRZSA-N 1 2 239.294 1.511 20 0 BDADLO CCO[C@@H]1COCC[C@@H]1Nc1cccc[nH+]1 ZINC000336770555 386007352 /nfs/dbraw/zinc/00/73/52/386007352.db2.gz TWYNSURWPHBONY-WDEREUQCSA-N 1 2 222.288 1.688 20 0 BDADLO CN(c1[nH]c2ccccc2[nH+]1)[C@@H]1CCC[C@H]1O ZINC000286260879 386015260 /nfs/dbraw/zinc/01/52/60/386015260.db2.gz GPPYLJVOYZBOGG-VXGBXAGGSA-N 1 2 231.299 1.913 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@H](O)C(F)(F)F ZINC000345191113 386056369 /nfs/dbraw/zinc/05/63/69/386056369.db2.gz ORLHYYFVEDVOEF-CBAPKCEASA-N 1 2 249.236 1.899 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cc[nH+]c(C)n1 ZINC000286272580 386018216 /nfs/dbraw/zinc/01/82/16/386018216.db2.gz HLIJBFFUYPSRKC-FUVSOYRFSA-N 1 2 245.326 1.645 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)C(C)C ZINC000414182828 386025670 /nfs/dbraw/zinc/02/56/70/386025670.db2.gz MXHNNWZCKGBXKE-MVWJERBFSA-N 1 2 243.347 1.587 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cn[nH]c1 ZINC000273966727 386056856 /nfs/dbraw/zinc/05/68/56/386056856.db2.gz GGCNSDXLRCLVRT-MRVPVSSYSA-N 1 2 249.318 1.941 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12CCC(C)(C)C2 ZINC000414193334 386033308 /nfs/dbraw/zinc/03/33/08/386033308.db2.gz TXFOBZWEOLCBOO-ZDUSSCGKSA-N 1 2 224.348 1.981 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@@]12CCC(C)(C)C2 ZINC000414193334 386033314 /nfs/dbraw/zinc/03/33/14/386033314.db2.gz TXFOBZWEOLCBOO-ZDUSSCGKSA-N 1 2 224.348 1.981 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(C)(CO)CC1 ZINC000273812371 386041219 /nfs/dbraw/zinc/04/12/19/386041219.db2.gz BFYCXFQIQSPVTC-UHFFFAOYSA-N 1 2 223.320 1.313 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC(C2CC2)C1 ZINC000643285665 386043526 /nfs/dbraw/zinc/04/35/26/386043526.db2.gz QTKQBJCYIFDLGV-NSHDSACASA-N 1 2 245.326 1.314 20 0 BDADLO Cc1[nH]c(C(=O)NCCC(C)(F)F)c[nH+]1 ZINC000295502936 386044448 /nfs/dbraw/zinc/04/44/48/386044448.db2.gz KJHUOPFECNFELX-UHFFFAOYSA-N 1 2 217.219 1.493 20 0 BDADLO Cc1nc(N2CC[C@@](F)(CO)C2)c(C)c(C)[nH+]1 ZINC000338416748 385996075 /nfs/dbraw/zinc/99/60/75/385996075.db2.gz ISVICMYSPCLDQZ-LBPRGKRZSA-N 1 2 239.294 1.313 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2cnccc2C)[nH]1 ZINC000274586421 386123588 /nfs/dbraw/zinc/12/35/88/386123588.db2.gz GNSBXHWSNNDFNU-SNVBAGLBSA-N 1 2 245.330 1.921 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334459703 386110442 /nfs/dbraw/zinc/11/04/42/386110442.db2.gz MFBNZRYSWOQQJX-QWRGUYRKSA-N 1 2 247.342 1.750 20 0 BDADLO COC[C@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287298740 386111999 /nfs/dbraw/zinc/11/19/99/386111999.db2.gz IYCITBAJHOJTTK-SNVBAGLBSA-N 1 2 241.718 1.663 20 0 BDADLO COC[C@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287298740 386112006 /nfs/dbraw/zinc/11/20/06/386112006.db2.gz IYCITBAJHOJTTK-SNVBAGLBSA-N 1 2 241.718 1.663 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cn(C)nn1 ZINC000335073417 386066867 /nfs/dbraw/zinc/06/68/67/386066867.db2.gz NDSNWIZUKUDEPM-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn(C)nn1 ZINC000335073417 386066874 /nfs/dbraw/zinc/06/68/74/386066874.db2.gz NDSNWIZUKUDEPM-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO COC(=O)[C@H](C)SCc1c[nH+]ccc1OC ZINC000286791726 386075875 /nfs/dbraw/zinc/07/58/75/386075875.db2.gz ZSWOFLKSDGEAOU-QMMMGPOBSA-N 1 2 241.312 1.885 20 0 BDADLO CCN(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000286828091 386077477 /nfs/dbraw/zinc/07/74/77/386077477.db2.gz JKIKBJWUMUYACY-UHFFFAOYSA-N 1 2 236.319 1.592 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000234565802 386079199 /nfs/dbraw/zinc/07/91/99/386079199.db2.gz YIDDZIBDSJZPSF-CHWSQXEVSA-N 1 2 249.310 1.261 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000366106164 386080222 /nfs/dbraw/zinc/08/02/22/386080222.db2.gz XCWQGNHPFHVEPZ-NSHDSACASA-N 1 2 238.335 1.327 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000366106164 386080230 /nfs/dbraw/zinc/08/02/30/386080230.db2.gz XCWQGNHPFHVEPZ-NSHDSACASA-N 1 2 238.335 1.327 20 0 BDADLO Cc1nc(N[C@H](C)Cc2ccsc2)nc(N)[nH+]1 ZINC000310087692 386081849 /nfs/dbraw/zinc/08/18/49/386081849.db2.gz BQGVDLXQEJIPBG-SSDOTTSWSA-N 1 2 249.343 1.867 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)Cc2ccsc2)[nH+]1 ZINC000310087692 386081854 /nfs/dbraw/zinc/08/18/54/386081854.db2.gz BQGVDLXQEJIPBG-SSDOTTSWSA-N 1 2 249.343 1.867 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1ccco1)CS(C)(=O)=O ZINC000162371183 386085087 /nfs/dbraw/zinc/08/50/87/386085087.db2.gz NWKPSVRFPIYCQZ-JTQLQIEISA-N 1 2 245.344 1.392 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1ccco1)CS(C)(=O)=O ZINC000162371183 386085095 /nfs/dbraw/zinc/08/50/95/386085095.db2.gz NWKPSVRFPIYCQZ-JTQLQIEISA-N 1 2 245.344 1.392 20 0 BDADLO C[C@@H]1[C@H](NCc2ccco2)CCC[N@@H+]1C ZINC000336773030 386092288 /nfs/dbraw/zinc/09/22/88/386092288.db2.gz YNOQDFZQENWEEB-ZYHUDNBSSA-N 1 2 208.305 1.852 20 0 BDADLO C[C@@H]1[C@H](NCc2ccco2)CCC[N@H+]1C ZINC000336773030 386092291 /nfs/dbraw/zinc/09/22/91/386092291.db2.gz YNOQDFZQENWEEB-ZYHUDNBSSA-N 1 2 208.305 1.852 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc[nH+]1 ZINC000644883939 386096716 /nfs/dbraw/zinc/09/67/16/386096716.db2.gz ZJXPIFHZLGMBIN-CHWFTXMASA-N 1 2 248.330 1.480 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]cn1 ZINC000644883939 386096721 /nfs/dbraw/zinc/09/67/21/386096721.db2.gz ZJXPIFHZLGMBIN-CHWFTXMASA-N 1 2 248.330 1.480 20 0 BDADLO CCc1ccc(C[NH+]2CCN(C(C)=O)CC2)nc1 ZINC000334471112 386144185 /nfs/dbraw/zinc/14/41/85/386144185.db2.gz IWNVGBLHJJMESF-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO c1csc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000335154949 386150877 /nfs/dbraw/zinc/15/08/77/386150877.db2.gz GMIVDDATIROJGB-YUMQZZPRSA-N 1 2 212.343 1.833 20 0 BDADLO c1csc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000335154949 386150885 /nfs/dbraw/zinc/15/08/85/386150885.db2.gz GMIVDDATIROJGB-YUMQZZPRSA-N 1 2 212.343 1.833 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000643296271 386151870 /nfs/dbraw/zinc/15/18/70/386151870.db2.gz VPNNROGFSIUKOF-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO CCN(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000287860373 386151877 /nfs/dbraw/zinc/15/18/77/386151877.db2.gz PLELSXXGXMFZGZ-UHFFFAOYSA-N 1 2 224.308 1.277 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000414366487 386152542 /nfs/dbraw/zinc/15/25/42/386152542.db2.gz CADHRKWUDKVXIF-GHMZBOCLSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000414366487 386152547 /nfs/dbraw/zinc/15/25/47/386152547.db2.gz CADHRKWUDKVXIF-GHMZBOCLSA-N 1 2 235.331 1.648 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCCC(F)(F)F ZINC000287986408 386158737 /nfs/dbraw/zinc/15/87/37/386158737.db2.gz JUMWWMROMQSMTQ-UHFFFAOYSA-N 1 2 249.236 1.801 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)nn1 ZINC000414367511 386163738 /nfs/dbraw/zinc/16/37/38/386163738.db2.gz FHHYIDABSCMQFQ-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)nn1 ZINC000414367511 386163741 /nfs/dbraw/zinc/16/37/41/386163741.db2.gz FHHYIDABSCMQFQ-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nc(N[C@@H](C)Cc2cccs2)nc(N)[nH+]1 ZINC000310226119 386163803 /nfs/dbraw/zinc/16/38/03/386163803.db2.gz IIOSSHULIAXMSQ-ZETCQYMHSA-N 1 2 249.343 1.867 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)Cc2cccs2)[nH+]1 ZINC000310226119 386163809 /nfs/dbraw/zinc/16/38/09/386163809.db2.gz IIOSSHULIAXMSQ-ZETCQYMHSA-N 1 2 249.343 1.867 20 0 BDADLO CC(C)n1nccc1NC(=O)CCn1cc[nH+]c1 ZINC000263688557 386165874 /nfs/dbraw/zinc/16/58/74/386165874.db2.gz PDFJPZXVNADMPU-UHFFFAOYSA-N 1 2 247.302 1.689 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccn1 ZINC000274946449 386165823 /nfs/dbraw/zinc/16/58/23/386165823.db2.gz GGNNOHSZFDUPSB-YPMHNXCESA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccccn1 ZINC000274946449 386165830 /nfs/dbraw/zinc/16/58/30/386165830.db2.gz GGNNOHSZFDUPSB-YPMHNXCESA-N 1 2 248.326 1.855 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N)n2)cn1 ZINC000310256482 386166687 /nfs/dbraw/zinc/16/66/87/386166687.db2.gz PKKKBYCPAWFHFI-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1ccc(CNc2nc(N)nc(C)[nH+]2)cn1 ZINC000310256482 386166691 /nfs/dbraw/zinc/16/66/91/386166691.db2.gz PKKKBYCPAWFHFI-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO COC[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456855194 386168562 /nfs/dbraw/zinc/16/85/62/386168562.db2.gz ZJPXCAMFDVNOJU-SNVBAGLBSA-N 1 2 236.315 1.597 20 0 BDADLO CCC[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414371776 386169419 /nfs/dbraw/zinc/16/94/19/386169419.db2.gz NZYLQUDFDKNSSO-UHFFFAOYSA-N 1 2 247.385 1.993 20 0 BDADLO CCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414371776 386169422 /nfs/dbraw/zinc/16/94/22/386169422.db2.gz NZYLQUDFDKNSSO-UHFFFAOYSA-N 1 2 247.385 1.993 20 0 BDADLO CO[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000288131206 386170223 /nfs/dbraw/zinc/17/02/23/386170223.db2.gz QCSRGIXDCWXHFH-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)nc2)n1 ZINC000340539658 386176357 /nfs/dbraw/zinc/17/63/57/386176357.db2.gz CPEOFMUZPJBYEM-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CC(C)n1ccc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000288280094 386180755 /nfs/dbraw/zinc/18/07/55/386180755.db2.gz VGMATUHFZHUJFV-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(=O)OC ZINC000338952114 386185006 /nfs/dbraw/zinc/18/50/06/386185006.db2.gz NSOILDVXIQFZDH-WOPDTQHZSA-N 1 2 241.331 1.343 20 0 BDADLO CC(C)c1nc(NC(C)(C)CO)cc[nH+]1 ZINC000125015112 386214707 /nfs/dbraw/zinc/21/47/07/386214707.db2.gz NAHVCLGRWPARGB-UHFFFAOYSA-N 1 2 209.293 1.783 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000190510542 386217624 /nfs/dbraw/zinc/21/76/24/386217624.db2.gz QABMQCRAOOVION-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC(F)F ZINC000098000862 386219302 /nfs/dbraw/zinc/21/93/02/386219302.db2.gz NBUJOZDDLAMOJF-UHFFFAOYSA-N 1 2 213.191 1.040 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(F)F ZINC000288614692 386219397 /nfs/dbraw/zinc/21/93/97/386219397.db2.gz QXMOEFRHMJLTNJ-ZETCQYMHSA-N 1 2 217.219 1.043 20 0 BDADLO C[C@H]1C[C@H](C)N(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000408403359 386221574 /nfs/dbraw/zinc/22/15/74/386221574.db2.gz DDMQBXIMBMKIOV-YUMQZZPRSA-N 1 2 246.318 1.180 20 0 BDADLO Cc1ccc(C)c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000264285916 386223646 /nfs/dbraw/zinc/22/36/46/386223646.db2.gz JDBRUVNBDKMPHX-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1nc(N2CCC[C@H]2C2CCCC2)nc(N)[nH+]1 ZINC000310684151 386233688 /nfs/dbraw/zinc/23/36/88/386233688.db2.gz NUKNYNOLQMJFIT-NSHDSACASA-N 1 2 247.346 1.921 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H]2C2CCCC2)[nH+]1 ZINC000310684151 386233690 /nfs/dbraw/zinc/23/36/90/386233690.db2.gz NUKNYNOLQMJFIT-NSHDSACASA-N 1 2 247.346 1.921 20 0 BDADLO CC[C@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000264438728 386236426 /nfs/dbraw/zinc/23/64/26/386236426.db2.gz MBNFRBUPNHZQOH-QMMMGPOBSA-N 1 2 233.262 1.481 20 0 BDADLO CC[C@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000264438728 386236430 /nfs/dbraw/zinc/23/64/30/386236430.db2.gz MBNFRBUPNHZQOH-QMMMGPOBSA-N 1 2 233.262 1.481 20 0 BDADLO Cc1cc(N2C[C@@H](C)OC3(CCC3)C2)nc[nH+]1 ZINC000645394043 386241311 /nfs/dbraw/zinc/24/13/11/386241311.db2.gz NWZGTESRMWUATR-LLVKDONJSA-N 1 2 233.315 1.933 20 0 BDADLO Cc1ccn(C)c1C(=O)NCc1[nH]c[nH+]c1C ZINC000275792634 386242041 /nfs/dbraw/zinc/24/20/41/386242041.db2.gz CZWRFVSFGHJUKZ-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000288961945 386243191 /nfs/dbraw/zinc/24/31/91/386243191.db2.gz BAGZRFXCWPRFIZ-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000288961945 386243193 /nfs/dbraw/zinc/24/31/93/386243193.db2.gz BAGZRFXCWPRFIZ-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO CN(Cc1ccoc1)C(=O)CCc1c[nH+]cn1C ZINC000339091920 386244195 /nfs/dbraw/zinc/24/41/95/386244195.db2.gz OVAHCBXSUDXBQN-UHFFFAOYSA-N 1 2 247.298 1.604 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCC(C)(C)O ZINC000264603529 386251489 /nfs/dbraw/zinc/25/14/89/386251489.db2.gz KWHHSXFHPCJERY-UHFFFAOYSA-N 1 2 238.316 1.226 20 0 BDADLO COc1ccccc1CNc1nc(C)[nH+]c(N)n1 ZINC000310725298 386251931 /nfs/dbraw/zinc/25/19/31/386251931.db2.gz KKULIVXJLMBARR-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1ccccc1CNc1nc(N)nc(C)[nH+]1 ZINC000310725298 386251935 /nfs/dbraw/zinc/25/19/35/386251935.db2.gz KKULIVXJLMBARR-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428094399 386193826 /nfs/dbraw/zinc/19/38/26/386193826.db2.gz HGEOHOCNRPBYHZ-IAZYJMLFSA-N 1 2 219.288 1.188 20 0 BDADLO Cc1nc(COCc2[nH]cc[nH+]2)oc1C ZINC000340547342 386196333 /nfs/dbraw/zinc/19/63/33/386196333.db2.gz VAEUGJGMADMDJO-UHFFFAOYSA-N 1 2 207.233 1.731 20 0 BDADLO CC/C=C/CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000296731726 386196897 /nfs/dbraw/zinc/19/68/97/386196897.db2.gz AXXQRRBVHCRTGU-VNKDHWASSA-N 1 2 205.261 1.505 20 0 BDADLO CO[C@H]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000340583477 386281637 /nfs/dbraw/zinc/28/16/37/386281637.db2.gz DPMKLEHHDZTPJE-QWRGUYRKSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@H]1CCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000340583477 386281640 /nfs/dbraw/zinc/28/16/40/386281640.db2.gz DPMKLEHHDZTPJE-QWRGUYRKSA-N 1 2 237.303 1.231 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CCSCC1 ZINC000264932095 386286094 /nfs/dbraw/zinc/28/60/94/386286094.db2.gz XWNXOMPQTJNMTF-UHFFFAOYSA-N 1 2 239.344 1.180 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000335263830 386294835 /nfs/dbraw/zinc/29/48/35/386294835.db2.gz HQXSOUVDFSISKB-QFYYESIMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000335263830 386294838 /nfs/dbraw/zinc/29/48/38/386294838.db2.gz HQXSOUVDFSISKB-QFYYESIMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000335263832 386295404 /nfs/dbraw/zinc/29/54/04/386295404.db2.gz HQXSOUVDFSISKB-QLJPJBMISA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000335263832 386295407 /nfs/dbraw/zinc/29/54/07/386295407.db2.gz HQXSOUVDFSISKB-QLJPJBMISA-N 1 2 241.356 1.931 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCOC[C@@H]1C ZINC000164788968 386298834 /nfs/dbraw/zinc/29/88/34/386298834.db2.gz OIBHGZWOAXVWGS-VIFPVBQESA-N 1 2 224.304 1.555 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCOC[C@@H]1C ZINC000164788968 386298838 /nfs/dbraw/zinc/29/88/38/386298838.db2.gz OIBHGZWOAXVWGS-VIFPVBQESA-N 1 2 224.304 1.555 20 0 BDADLO Cc1nonc1C[N@H+](C)CCOc1ccccc1 ZINC000265069796 386301402 /nfs/dbraw/zinc/30/14/02/386301402.db2.gz VXGKPRFNNWPONT-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1nonc1C[N@@H+](C)CCOc1ccccc1 ZINC000265069796 386301407 /nfs/dbraw/zinc/30/14/07/386301407.db2.gz VXGKPRFNNWPONT-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335266075 386302100 /nfs/dbraw/zinc/30/21/00/386302100.db2.gz RTCAKYFFPPYYAG-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335266075 386302104 /nfs/dbraw/zinc/30/21/04/386302104.db2.gz RTCAKYFFPPYYAG-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO O=c1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)occ1O ZINC000289450804 386306591 /nfs/dbraw/zinc/30/65/91/386306591.db2.gz DYIYVXLRIDMUMA-DTORHVGOSA-N 1 2 249.266 1.041 20 0 BDADLO O=c1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)occ1O ZINC000289450804 386306595 /nfs/dbraw/zinc/30/65/95/386306595.db2.gz DYIYVXLRIDMUMA-DTORHVGOSA-N 1 2 249.266 1.041 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000339219214 386307215 /nfs/dbraw/zinc/30/72/15/386307215.db2.gz IORFUDZHIZRGGP-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000339219214 386307219 /nfs/dbraw/zinc/30/72/19/386307219.db2.gz IORFUDZHIZRGGP-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cn[nH]c2C)[C@H]1C ZINC000347261308 386308604 /nfs/dbraw/zinc/30/86/04/386308604.db2.gz LVJHEYIXZSEERX-ONGXEEELSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cn[nH]c2C)[C@H]1C ZINC000347261308 386308610 /nfs/dbraw/zinc/30/86/10/386308610.db2.gz LVJHEYIXZSEERX-ONGXEEELSA-N 1 2 237.303 1.102 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000336674313 386309146 /nfs/dbraw/zinc/30/91/46/386309146.db2.gz BCQUZTIPEGSYIT-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000336674313 386309150 /nfs/dbraw/zinc/30/91/50/386309150.db2.gz BCQUZTIPEGSYIT-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO Cn1ncc2c1nc(N1CCCCCC1)[nH+]c2N ZINC000276364410 386310246 /nfs/dbraw/zinc/31/02/46/386310246.db2.gz ZLJSFGDPEMEHAK-UHFFFAOYSA-N 1 2 246.318 1.326 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2cscn2)c1 ZINC000336669102 386310987 /nfs/dbraw/zinc/31/09/87/386310987.db2.gz VWGAHIDFRUGNPD-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2cscn2)c1 ZINC000336669102 386310991 /nfs/dbraw/zinc/31/09/91/386310991.db2.gz VWGAHIDFRUGNPD-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO CC[C@H](C(=O)NC(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339235835 386311098 /nfs/dbraw/zinc/31/10/98/386311098.db2.gz SAPBUDXECIGVBF-NWDGAFQWSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C(=O)NC(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339235835 386311103 /nfs/dbraw/zinc/31/11/03/386311103.db2.gz SAPBUDXECIGVBF-NWDGAFQWSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@]1([NH2+]CCc2ccccc2F)CCOC1=O ZINC000289477223 386313291 /nfs/dbraw/zinc/31/32/91/386313291.db2.gz HWOZCVSJQFAQIR-ZDUSSCGKSA-N 1 2 237.274 1.663 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000347271017 386314015 /nfs/dbraw/zinc/31/40/15/386314015.db2.gz BUHOBHSJAVFIPU-MFKMUULPSA-N 1 2 239.315 1.424 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000334482804 386314000 /nfs/dbraw/zinc/31/40/00/386314000.db2.gz XGLWKYKMFLSQJI-BETUJISGSA-N 1 2 235.331 1.827 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000334482804 386314004 /nfs/dbraw/zinc/31/40/04/386314004.db2.gz XGLWKYKMFLSQJI-BETUJISGSA-N 1 2 235.331 1.827 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000347271017 386314020 /nfs/dbraw/zinc/31/40/20/386314020.db2.gz BUHOBHSJAVFIPU-MFKMUULPSA-N 1 2 239.315 1.424 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/C(C)(C)C ZINC000265255208 386321609 /nfs/dbraw/zinc/32/16/09/386321609.db2.gz AKYZUZZNPHZGFN-VOTSOKGWSA-N 1 2 235.331 1.981 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccccn2)c[nH+]1 ZINC000264697389 386263690 /nfs/dbraw/zinc/26/36/90/386263690.db2.gz NDIVQGNVVVCBIJ-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO C[C@H]1C(=O)N(C)CN1c1[nH+]c2ccccc2n1C ZINC000645394581 386267005 /nfs/dbraw/zinc/26/70/05/386267005.db2.gz HUFGLPGCFPGXKX-VIFPVBQESA-N 1 2 244.298 1.198 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC1CC1 ZINC000265276772 386324059 /nfs/dbraw/zinc/32/40/59/386324059.db2.gz XCQWPQRAKUMYAD-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)c1 ZINC000298422043 386340263 /nfs/dbraw/zinc/34/02/63/386340263.db2.gz XSRCYRSRGJYTIB-NSHDSACASA-N 1 2 246.318 1.065 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)c1 ZINC000298422043 386340268 /nfs/dbraw/zinc/34/02/68/386340268.db2.gz XSRCYRSRGJYTIB-NSHDSACASA-N 1 2 246.318 1.065 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C2CC2)no1 ZINC000336682952 386341577 /nfs/dbraw/zinc/34/15/77/386341577.db2.gz YUWWDYORDNXDDP-QMMMGPOBSA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000336682952 386341581 /nfs/dbraw/zinc/34/15/81/386341581.db2.gz YUWWDYORDNXDDP-QMMMGPOBSA-N 1 2 225.292 1.414 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC(C1CC1)C1CC1 ZINC000276576581 386346698 /nfs/dbraw/zinc/34/66/98/386346698.db2.gz LSPYYJNRWVZZOE-AATRIKPKSA-N 1 2 231.299 1.728 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(C)on3)C2)c1 ZINC000289729687 386347338 /nfs/dbraw/zinc/34/73/38/386347338.db2.gz DISPMBWDRHGNIS-CYBMUJFWSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(C)on3)C2)c1 ZINC000289729687 386347345 /nfs/dbraw/zinc/34/73/45/386347345.db2.gz DISPMBWDRHGNIS-CYBMUJFWSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CC(=O)N(C)C2)c1Cl ZINC000309965646 386348069 /nfs/dbraw/zinc/34/80/69/386348069.db2.gz NHNHCUTUIKZHJP-QMMMGPOBSA-N 1 2 239.706 1.686 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000334493093 386349742 /nfs/dbraw/zinc/34/97/42/386349742.db2.gz CUSDSSFAUCZUGB-CMPLNLGQSA-N 1 2 231.299 1.828 20 0 BDADLO CCN(CC(C)(C)O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276615974 386354860 /nfs/dbraw/zinc/35/48/60/386354860.db2.gz QDKSMLJQSXKMSP-AATRIKPKSA-N 1 2 237.303 1.042 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccncc1Cl ZINC000339286617 386356444 /nfs/dbraw/zinc/35/64/44/386356444.db2.gz XMGPLWUHPXHIBR-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccncc1Cl ZINC000339286617 386356448 /nfs/dbraw/zinc/35/64/48/386356448.db2.gz XMGPLWUHPXHIBR-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO CCC(O)(CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276625878 386356562 /nfs/dbraw/zinc/35/65/62/386356562.db2.gz RTNOTBPWJGCPKE-AATRIKPKSA-N 1 2 237.303 1.090 20 0 BDADLO CCCCNC(=O)CCc1c[nH+]cn1C ZINC000276675934 386362268 /nfs/dbraw/zinc/36/22/68/386362268.db2.gz OFCGGLRUHXRFPS-UHFFFAOYSA-N 1 2 209.293 1.269 20 0 BDADLO C[C@H](Nc1cc[nH+]c2ccncc12)C(=O)N(C)C ZINC000276671188 386362309 /nfs/dbraw/zinc/36/23/09/386362309.db2.gz DRTTUPHAYSZNTG-VIFPVBQESA-N 1 2 244.298 1.518 20 0 BDADLO Cc1cn2cc(NC(=O)NC[C@H](C)O)ccc2[nH+]1 ZINC000265703374 386362605 /nfs/dbraw/zinc/36/26/05/386362605.db2.gz JBBAOESDTVLESC-VIFPVBQESA-N 1 2 248.286 1.145 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000265736092 386365364 /nfs/dbraw/zinc/36/53/64/386365364.db2.gz BAPFAZPZRHMIHE-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000265736092 386365369 /nfs/dbraw/zinc/36/53/69/386365369.db2.gz BAPFAZPZRHMIHE-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO Cc1cncc(C[N@@H+]2CCn3cnnc3[C@H]2C)c1 ZINC000276718934 386367734 /nfs/dbraw/zinc/36/77/34/386367734.db2.gz AKDBJZMDFPXWBH-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cncc(C[N@H+]2CCn3cnnc3[C@H]2C)c1 ZINC000276718934 386367744 /nfs/dbraw/zinc/36/77/44/386367744.db2.gz AKDBJZMDFPXWBH-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1cscn1 ZINC000289912392 386372207 /nfs/dbraw/zinc/37/22/07/386372207.db2.gz UTCARNHCGDYKIF-UHFFFAOYSA-N 1 2 248.355 1.894 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347378839 386372696 /nfs/dbraw/zinc/37/26/96/386372696.db2.gz MOWYNRPBAGEGIN-NSHDSACASA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347378839 386372700 /nfs/dbraw/zinc/37/27/00/386372700.db2.gz MOWYNRPBAGEGIN-NSHDSACASA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347378837 386373658 /nfs/dbraw/zinc/37/36/58/386373658.db2.gz MOWYNRPBAGEGIN-LLVKDONJSA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347378837 386373663 /nfs/dbraw/zinc/37/36/63/386373663.db2.gz MOWYNRPBAGEGIN-LLVKDONJSA-N 1 2 216.300 1.193 20 0 BDADLO C[C@H](CNC(=O)C1CC1)Cn1cc[nH+]c1 ZINC000265801743 386373697 /nfs/dbraw/zinc/37/36/97/386373697.db2.gz XHFRJQURZLZPMW-SECBINFHSA-N 1 2 207.277 1.045 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347384342 386375746 /nfs/dbraw/zinc/37/57/46/386375746.db2.gz OSNYQBJAJFCKFG-CMPLNLGQSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347384342 386375753 /nfs/dbraw/zinc/37/57/53/386375753.db2.gz OSNYQBJAJFCKFG-CMPLNLGQSA-N 1 2 230.327 1.581 20 0 BDADLO COC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000347388487 386377567 /nfs/dbraw/zinc/37/75/67/386377567.db2.gz CTGFQXVOLOJZMH-UHFFFAOYSA-N 1 2 236.319 1.293 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@H]1CCCO1 ZINC000298739437 386378944 /nfs/dbraw/zinc/37/89/44/386378944.db2.gz SAGCALCRMGYKNS-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@H]1CCCO1 ZINC000298739437 386378950 /nfs/dbraw/zinc/37/89/50/386378950.db2.gz SAGCALCRMGYKNS-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO CO[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000336774999 386379993 /nfs/dbraw/zinc/37/99/93/386379993.db2.gz XTJSLTAHPHFNSD-QWRGUYRKSA-N 1 2 221.304 1.434 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347392763 386380368 /nfs/dbraw/zinc/38/03/68/386380368.db2.gz UPMZSXHCODFUBW-PSASIEDQSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@](C)(F)C1 ZINC000347392763 386380372 /nfs/dbraw/zinc/38/03/72/386380372.db2.gz UPMZSXHCODFUBW-PSASIEDQSA-N 1 2 203.257 1.372 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1ccncc1 ZINC000276831416 386381160 /nfs/dbraw/zinc/38/11/60/386381160.db2.gz RDQMJPVZRUHTHG-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1ccncc1 ZINC000276831416 386381164 /nfs/dbraw/zinc/38/11/64/386381164.db2.gz RDQMJPVZRUHTHG-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO Cc1ccc([C@@H](O)CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000265954688 386387652 /nfs/dbraw/zinc/38/76/52/386387652.db2.gz JPZDZKJEKDMCIC-JTQLQIEISA-N 1 2 249.270 1.083 20 0 BDADLO Cc1csc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000298785103 386385396 /nfs/dbraw/zinc/38/53/96/386385396.db2.gz BLQKUWFBOHFECS-UHFFFAOYSA-N 1 2 236.300 1.677 20 0 BDADLO Cn1ncc(C[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000289539246 386326165 /nfs/dbraw/zinc/32/61/65/386326165.db2.gz CKGYKDUPPZTYMP-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1ncc(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC000289539246 386326170 /nfs/dbraw/zinc/32/61/70/386326170.db2.gz CKGYKDUPPZTYMP-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CC[N@H+](CCOC)Cc1ncnn1CC(F)F ZINC000347338807 386335799 /nfs/dbraw/zinc/33/57/99/386335799.db2.gz NANKHJCFUVGHGC-UHFFFAOYSA-N 1 2 248.277 1.012 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncnn1CC(F)F ZINC000347338807 386335804 /nfs/dbraw/zinc/33/58/04/386335804.db2.gz NANKHJCFUVGHGC-UHFFFAOYSA-N 1 2 248.277 1.012 20 0 BDADLO Cn1ncc(C[NH2+]C2(c3ccccc3F)CC2)n1 ZINC000289661519 386338573 /nfs/dbraw/zinc/33/85/73/386338573.db2.gz YAAXYQDLIOQHJD-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc(C)cn2)CCCO1 ZINC000336718419 386439179 /nfs/dbraw/zinc/43/91/79/386439179.db2.gz DNXLXBGAMGJCML-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc(C)cn2)CCCO1 ZINC000336718419 386439185 /nfs/dbraw/zinc/43/91/85/386439185.db2.gz DNXLXBGAMGJCML-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC3(CCCC3)C2)cn1 ZINC000336715651 386445037 /nfs/dbraw/zinc/44/50/37/386445037.db2.gz RHYFAVZKPBZSGP-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC3(CCCC3)C2)cn1 ZINC000336715651 386445045 /nfs/dbraw/zinc/44/50/45/386445045.db2.gz RHYFAVZKPBZSGP-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO CCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334496994 386395543 /nfs/dbraw/zinc/39/55/43/386395543.db2.gz BJENEPRFLWXYBW-RKDXNWHRSA-N 1 2 222.292 1.598 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000336705403 386395950 /nfs/dbraw/zinc/39/59/50/386395950.db2.gz QFQDDHHQWWWQJC-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000336705403 386395952 /nfs/dbraw/zinc/39/59/52/386395952.db2.gz QFQDDHHQWWWQJC-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@H](C)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000182199863 386397852 /nfs/dbraw/zinc/39/78/52/386397852.db2.gz LRACFGFMBCQSJC-SECBINFHSA-N 1 2 239.319 1.772 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000290165326 386400320 /nfs/dbraw/zinc/40/03/20/386400320.db2.gz XVWWVSQUHJSGSZ-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000290165326 386400327 /nfs/dbraw/zinc/40/03/27/386400327.db2.gz XVWWVSQUHJSGSZ-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO CCN(CC)C(=O)CN(C)c1cc[nH+]c(C)n1 ZINC000266141977 386402442 /nfs/dbraw/zinc/40/24/42/386402442.db2.gz QUGXLNBNFLFYAL-UHFFFAOYSA-N 1 2 236.319 1.090 20 0 BDADLO CC[C@H]([NH2+]Cc1ncnn1C)c1c(C)noc1C ZINC000182479234 386403509 /nfs/dbraw/zinc/40/35/09/386403509.db2.gz QCSCRNPWVDAWTO-JTQLQIEISA-N 1 2 249.318 1.661 20 0 BDADLO CC(F)(F)CC(=O)NCCCn1cc[nH+]c1 ZINC000277112205 386407199 /nfs/dbraw/zinc/40/71/99/386407199.db2.gz MOMGHGUVXSZEFJ-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)on1 ZINC000336612364 386408745 /nfs/dbraw/zinc/40/87/45/386408745.db2.gz SAWNVXYUYJHOKR-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)on1 ZINC000336612364 386408751 /nfs/dbraw/zinc/40/87/51/386408751.db2.gz SAWNVXYUYJHOKR-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC1(C)C ZINC000299083227 386409126 /nfs/dbraw/zinc/40/91/26/386409126.db2.gz RJVGMZANEUWXSI-UWVGGRQHSA-N 1 2 236.319 1.369 20 0 BDADLO COc1ncncc1C[N@H+](C)[C@H]1CCCOC1 ZINC000648033475 386410997 /nfs/dbraw/zinc/41/09/97/386410997.db2.gz JDWUOKRIGWZJSY-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000648033475 386411001 /nfs/dbraw/zinc/41/10/01/386411001.db2.gz JDWUOKRIGWZJSY-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000336708596 386418790 /nfs/dbraw/zinc/41/87/90/386418790.db2.gz VLZUVJMDTUKIKQ-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000336708596 386418796 /nfs/dbraw/zinc/41/87/96/386418796.db2.gz VLZUVJMDTUKIKQ-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO COCc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000347501002 386424198 /nfs/dbraw/zinc/42/41/98/386424198.db2.gz QQXYVDHXUOUVLH-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)o1 ZINC000277301626 386424755 /nfs/dbraw/zinc/42/47/55/386424755.db2.gz AWOQTMDNXXLAMI-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)o1 ZINC000277301626 386424761 /nfs/dbraw/zinc/42/47/61/386424761.db2.gz AWOQTMDNXXLAMI-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000290382789 386425009 /nfs/dbraw/zinc/42/50/09/386425009.db2.gz ITBNGIYZTVBDNX-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000290382789 386425019 /nfs/dbraw/zinc/42/50/19/386425019.db2.gz ITBNGIYZTVBDNX-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000290382636 386425475 /nfs/dbraw/zinc/42/54/75/386425475.db2.gz IRDZFIJBKIQTHB-VHSXEESVSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000290382636 386425483 /nfs/dbraw/zinc/42/54/83/386425483.db2.gz IRDZFIJBKIQTHB-VHSXEESVSA-N 1 2 209.293 1.327 20 0 BDADLO C[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000164916881 386427434 /nfs/dbraw/zinc/42/74/34/386427434.db2.gz QABRXOZDCVSYGZ-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CCCCO1 ZINC000094817323 386469727 /nfs/dbraw/zinc/46/97/27/386469727.db2.gz YVUMQQLYWRFILQ-SNVBAGLBSA-N 1 2 237.303 1.327 20 0 BDADLO COCc1noc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339579273 386471789 /nfs/dbraw/zinc/47/17/89/386471789.db2.gz BJKPNVTVRVFMNY-SFYZADRCSA-N 1 2 211.265 1.056 20 0 BDADLO COCc1noc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339579273 386471790 /nfs/dbraw/zinc/47/17/90/386471790.db2.gz BJKPNVTVRVFMNY-SFYZADRCSA-N 1 2 211.265 1.056 20 0 BDADLO c1cn2c(cccc2CNc2cccnn2)[nH+]1 ZINC000191838579 386473138 /nfs/dbraw/zinc/47/31/38/386473138.db2.gz HAXVUBDCUMNQFT-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO CC[NH+](CC)Cc1nc(-c2ccc(=O)[nH]c2)no1 ZINC000277867458 386473211 /nfs/dbraw/zinc/47/32/11/386473211.db2.gz HTDJMLIHNRXWCD-UHFFFAOYSA-N 1 2 248.286 1.679 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)[C@H]1C ZINC000339562037 386474712 /nfs/dbraw/zinc/47/47/12/386474712.db2.gz FXWVWZXIAVLUNA-VDDIYKPWSA-N 1 2 236.290 1.692 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)[C@H]1C ZINC000339562037 386474715 /nfs/dbraw/zinc/47/47/15/386474715.db2.gz FXWVWZXIAVLUNA-VDDIYKPWSA-N 1 2 236.290 1.692 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cn[nH]c3C)C2)c1 ZINC000290828529 386477651 /nfs/dbraw/zinc/47/76/51/386477651.db2.gz HJGGNTSWARXFMX-CYBMUJFWSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cn[nH]c3C)C2)c1 ZINC000290828529 386477655 /nfs/dbraw/zinc/47/76/55/386477655.db2.gz HJGGNTSWARXFMX-CYBMUJFWSA-N 1 2 245.330 1.670 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccn1 ZINC000299665844 386479473 /nfs/dbraw/zinc/47/94/73/386479473.db2.gz PVKISVZOWKSBBR-NSHDSACASA-N 1 2 244.298 1.546 20 0 BDADLO Cc1occc1CN(C)C(=O)CCn1cc[nH+]c1 ZINC000299691073 386481321 /nfs/dbraw/zinc/48/13/21/386481321.db2.gz VZIVTEDDWBKTOF-UHFFFAOYSA-N 1 2 247.298 1.833 20 0 BDADLO CC(C)Cn1nccc1C[NH+]1CC(C)(CO)C1 ZINC000648042615 386483195 /nfs/dbraw/zinc/48/31/95/386483195.db2.gz JXJVSZDVGJFZQO-UHFFFAOYSA-N 1 2 237.347 1.353 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339581029 386486360 /nfs/dbraw/zinc/48/63/60/386486360.db2.gz UFHIEWXCVUWPBY-DTWKUNHWSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000339581029 386486364 /nfs/dbraw/zinc/48/63/64/386486364.db2.gz UFHIEWXCVUWPBY-DTWKUNHWSA-N 1 2 223.272 1.906 20 0 BDADLO O=C(CC(F)(F)F)N1CCn2c[nH+]cc2C1 ZINC000290961248 386491139 /nfs/dbraw/zinc/49/11/39/386491139.db2.gz ROWBNOAKXFIESX-UHFFFAOYSA-N 1 2 233.193 1.178 20 0 BDADLO Cc1cscc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290990256 386496875 /nfs/dbraw/zinc/49/68/75/386496875.db2.gz XEJYKQMFTWHSHF-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO CCC1(C)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000291053402 386504555 /nfs/dbraw/zinc/50/45/55/386504555.db2.gz JWENIFYDZJYNMQ-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC(=O)N1 ZINC000519625012 386509501 /nfs/dbraw/zinc/50/95/01/386509501.db2.gz RKHQPNFDSGNTPH-QUCGXOGASA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC(=O)N1 ZINC000519625012 386509505 /nfs/dbraw/zinc/50/95/05/386509505.db2.gz RKHQPNFDSGNTPH-QUCGXOGASA-N 1 2 248.301 1.659 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366679371 386510623 /nfs/dbraw/zinc/51/06/23/386510623.db2.gz NFNDMUSMKOWDLQ-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366679371 386510627 /nfs/dbraw/zinc/51/06/27/386510627.db2.gz NFNDMUSMKOWDLQ-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1nncn1C ZINC000336785642 386511016 /nfs/dbraw/zinc/51/10/16/386511016.db2.gz ADIPXMAMJGPTJG-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1nncn1C ZINC000336785642 386511024 /nfs/dbraw/zinc/51/10/24/386511024.db2.gz ADIPXMAMJGPTJG-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447206 386515884 /nfs/dbraw/zinc/51/58/84/386515884.db2.gz ABZQENZPWNNTMM-WDEREUQCSA-N 1 2 222.336 1.277 20 0 BDADLO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000291161269 386517469 /nfs/dbraw/zinc/51/74/69/386517469.db2.gz QSENPANUTLZRFR-GDNZZTSVSA-N 1 2 231.299 1.271 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000336780106 386522638 /nfs/dbraw/zinc/52/26/38/386522638.db2.gz QLSFFHNMADPOBG-BDAKNGLRSA-N 1 2 246.332 1.148 20 0 BDADLO CC1(CC(=O)Nc2cc[nH+]cc2O)CC1 ZINC000335453527 386528049 /nfs/dbraw/zinc/52/80/49/386528049.db2.gz JIIKYAMSKDGXCO-UHFFFAOYSA-N 1 2 206.245 1.338 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000227080907 386458270 /nfs/dbraw/zinc/45/82/70/386458270.db2.gz FDWYSLAHYGGXNV-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000227080907 386458275 /nfs/dbraw/zinc/45/82/75/386458275.db2.gz FDWYSLAHYGGXNV-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCO[C@H](C)C1 ZINC000299541277 386465928 /nfs/dbraw/zinc/46/59/28/386465928.db2.gz AABZYNDDZNVXNU-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1cccs1 ZINC000278736820 386574768 /nfs/dbraw/zinc/57/47/68/386574768.db2.gz UULLHNKIRJLVJB-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCc1cccs1 ZINC000278736820 386574772 /nfs/dbraw/zinc/57/47/72/386574772.db2.gz UULLHNKIRJLVJB-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO COC(=O)C[N@H+](CCc1ccccn1)C1CC1 ZINC000267723670 386576441 /nfs/dbraw/zinc/57/64/41/386576441.db2.gz OZECWGLZWCAMEN-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO COC(=O)C[N@@H+](CCc1ccccn1)C1CC1 ZINC000267723670 386576446 /nfs/dbraw/zinc/57/64/46/386576446.db2.gz OZECWGLZWCAMEN-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO C[C@@H](N(C)C(=O)CCn1cc[nH+]c1)C1(C)CC1 ZINC000267709451 386576468 /nfs/dbraw/zinc/57/64/68/386576468.db2.gz ILUQROGORSBXGX-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000291738467 386577215 /nfs/dbraw/zinc/57/72/15/386577215.db2.gz YJXUZEZDCBXUPG-QWRGUYRKSA-N 1 2 236.319 1.466 20 0 BDADLO CC(C)n1cnc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000337000748 386577365 /nfs/dbraw/zinc/57/73/65/386577365.db2.gz TXLCPNJBLXIGKZ-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO CC(C)n1cnc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000337025265 386579694 /nfs/dbraw/zinc/57/96/94/386579694.db2.gz VAIHKKIEOXXYNH-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO CC(C)n1cnc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000337025265 386579698 /nfs/dbraw/zinc/57/96/98/386579698.db2.gz VAIHKKIEOXXYNH-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=CC1CC1 ZINC000267904431 386598717 /nfs/dbraw/zinc/59/87/17/386598717.db2.gz ZQHBEETXFYFNMW-SNAWJCMRSA-N 1 2 205.261 1.301 20 0 BDADLO COCC1(C[N@@H+]2C[C@H](O)CC(F)(F)C2)CCC1 ZINC000643378482 386588755 /nfs/dbraw/zinc/58/87/55/386588755.db2.gz VADNDOQQEGPFHJ-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO COCC1(C[N@H+]2C[C@H](O)CC(F)(F)C2)CCC1 ZINC000643378482 386588759 /nfs/dbraw/zinc/58/87/59/386588759.db2.gz VADNDOQQEGPFHJ-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO COC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCCC1 ZINC000519717265 386534349 /nfs/dbraw/zinc/53/43/49/386534349.db2.gz XZKCPTRROPUSRA-SECBINFHSA-N 1 2 237.303 1.546 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3csnn3)C2)c1 ZINC000291373612 386539866 /nfs/dbraw/zinc/53/98/66/386539866.db2.gz ZMULCCZQUYOFDZ-SNVBAGLBSA-N 1 2 235.316 1.182 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3csnn3)C2)c1 ZINC000291373612 386539870 /nfs/dbraw/zinc/53/98/70/386539870.db2.gz ZMULCCZQUYOFDZ-SNVBAGLBSA-N 1 2 235.316 1.182 20 0 BDADLO CCCc1csc(C[N@H+](C)CCO)n1 ZINC000426038944 386544478 /nfs/dbraw/zinc/54/44/78/386544478.db2.gz HTPONXCRUHWWDN-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO CCCc1csc(C[N@@H+](C)CCO)n1 ZINC000426038944 386544481 /nfs/dbraw/zinc/54/44/81/386544481.db2.gz HTPONXCRUHWWDN-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000335467203 386556939 /nfs/dbraw/zinc/55/69/39/386556939.db2.gz CGDRMFQUNAFDMP-VHSXEESVSA-N 1 2 209.268 1.890 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](F)C2)cn1 ZINC000335467203 386556947 /nfs/dbraw/zinc/55/69/47/386556947.db2.gz CGDRMFQUNAFDMP-VHSXEESVSA-N 1 2 209.268 1.890 20 0 BDADLO COC[C@H](CCO)Nc1[nH+]c2ccccc2n1C ZINC000228279579 386559133 /nfs/dbraw/zinc/55/91/33/386559133.db2.gz DHYVZCLFVARTMR-JTQLQIEISA-N 1 2 249.314 1.383 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000336756465 386568898 /nfs/dbraw/zinc/56/88/98/386568898.db2.gz JKYAODRUMZUDFU-ZETCQYMHSA-N 1 2 210.281 1.179 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@H]1C ZINC000644920517 386621301 /nfs/dbraw/zinc/62/13/01/386621301.db2.gz KUKVDWKLFHHDAP-SCZZXKLOSA-N 1 2 220.272 1.362 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)[C@@H](C)CO1 ZINC000246055269 386624135 /nfs/dbraw/zinc/62/41/35/386624135.db2.gz FMXYEURHSPYQBS-UWVGGRQHSA-N 1 2 233.315 1.968 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCOC1)c1nc(C(C)(C)C)no1 ZINC000179253841 386628926 /nfs/dbraw/zinc/62/89/26/386628926.db2.gz OZQFVFCTLQZRSI-RKDXNWHRSA-N 1 2 239.319 1.807 20 0 BDADLO Cc1cc(NCc2ccc(CO)c(F)c2)nc[nH+]1 ZINC000339779157 386629301 /nfs/dbraw/zinc/62/93/01/386629301.db2.gz IWIVRFMBCXKYCF-UHFFFAOYSA-N 1 2 247.273 1.450 20 0 BDADLO FC[C@@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000414466394 386629578 /nfs/dbraw/zinc/62/95/78/386629578.db2.gz BMLNIFQPJPKQLH-ZIYVKSGCSA-N 1 2 236.290 1.765 20 0 BDADLO FC[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000414466394 386629584 /nfs/dbraw/zinc/62/95/84/386629584.db2.gz BMLNIFQPJPKQLH-ZIYVKSGCSA-N 1 2 236.290 1.765 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](C)OC ZINC000190744457 386631503 /nfs/dbraw/zinc/63/15/03/386631503.db2.gz JFHLLQHKFWEAAR-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO COCc1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000279099691 386631644 /nfs/dbraw/zinc/63/16/44/386631644.db2.gz VEFFDLPLKVBYQO-GFCCVEGCSA-N 1 2 247.298 1.867 20 0 BDADLO CN1CCC[C@@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000644933431 386631696 /nfs/dbraw/zinc/63/16/96/386631696.db2.gz YKNVINDOSCHXTQ-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO CN1CCC[C@@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000644933431 386631699 /nfs/dbraw/zinc/63/16/99/386631699.db2.gz YKNVINDOSCHXTQ-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](O)C(C)C)c(C)[nH+]1 ZINC000292207722 386633102 /nfs/dbraw/zinc/63/31/02/386633102.db2.gz PRSVZBVCBGBFKU-NSHDSACASA-N 1 2 222.288 1.654 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC2(CCC2)C1 ZINC000268251659 386634194 /nfs/dbraw/zinc/63/41/94/386634194.db2.gz AWRIGOBSVUUIBG-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000414469239 386639446 /nfs/dbraw/zinc/63/94/46/386639446.db2.gz FXYXDNUHWZTOOS-CQSZACIVSA-N 1 2 247.342 1.985 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000414469239 386639452 /nfs/dbraw/zinc/63/94/52/386639452.db2.gz FXYXDNUHWZTOOS-CQSZACIVSA-N 1 2 247.342 1.985 20 0 BDADLO COC[C@@](C)([NH2+]C[C@H](C)CC(C)C)C(=O)OC ZINC000337180779 386640507 /nfs/dbraw/zinc/64/05/07/386640507.db2.gz MDNGFRBGRPWHKZ-DGCLKSJQSA-N 1 2 245.363 1.836 20 0 BDADLO CN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279165293 386642316 /nfs/dbraw/zinc/64/23/16/386642316.db2.gz IPKPZWKTLFTWHW-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC23CC3)c2[nH+]ccn21 ZINC000644961841 386646115 /nfs/dbraw/zinc/64/61/15/386646115.db2.gz RUNTWPUODHRNDN-BBBLOLIVSA-N 1 2 246.314 1.741 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccn1C ZINC000268424897 386651865 /nfs/dbraw/zinc/65/18/65/386651865.db2.gz DLJOEGVAKYLGPW-VIFPVBQESA-N 1 2 210.277 1.018 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccn1C ZINC000268424897 386651873 /nfs/dbraw/zinc/65/18/73/386651873.db2.gz DLJOEGVAKYLGPW-VIFPVBQESA-N 1 2 210.277 1.018 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H](F)C2)c[nH+]1 ZINC000335518695 386654598 /nfs/dbraw/zinc/65/45/98/386654598.db2.gz DEMJFCXKWPQFRH-DTWKUNHWSA-N 1 2 225.267 1.729 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000337086741 386605343 /nfs/dbraw/zinc/60/53/43/386605343.db2.gz IGDASKQCBKEVMD-UBHAPETDSA-N 1 2 234.299 1.564 20 0 BDADLO Cc1ccc(NC(=O)NC[C@H]2CCOC2)c(C)[nH+]1 ZINC000268036002 386612996 /nfs/dbraw/zinc/61/29/96/386612996.db2.gz QHDGNBRUOLXOQQ-LLVKDONJSA-N 1 2 249.314 1.856 20 0 BDADLO Cc1ccc(NC(=O)N(C)[C@H]2CCOC2)c(C)[nH+]1 ZINC000268041593 386614374 /nfs/dbraw/zinc/61/43/74/386614374.db2.gz UIFJDKBBTIDSMV-NSHDSACASA-N 1 2 249.314 1.951 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cnc2ccccc2c1 ZINC000337128162 386615615 /nfs/dbraw/zinc/61/56/15/386615615.db2.gz HYGSKDMRZMGNQG-UHFFFAOYSA-N 1 2 229.283 1.152 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cnc2ccccc2c1 ZINC000337128162 386615618 /nfs/dbraw/zinc/61/56/18/386615618.db2.gz HYGSKDMRZMGNQG-UHFFFAOYSA-N 1 2 229.283 1.152 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1occc1C ZINC000292392771 386662666 /nfs/dbraw/zinc/66/26/66/386662666.db2.gz SKIKNPIASVQPNV-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1occc1C ZINC000292392771 386662673 /nfs/dbraw/zinc/66/26/73/386662673.db2.gz SKIKNPIASVQPNV-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO Cc1ccc(CCNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000520377814 386662757 /nfs/dbraw/zinc/66/27/57/386662757.db2.gz QHODLKOPABAQGM-UHFFFAOYSA-N 1 2 233.271 1.592 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c[nH+]1 ZINC000268592025 386667353 /nfs/dbraw/zinc/66/73/53/386667353.db2.gz OTAPJOCFBKARAT-CKYFFXLPSA-N 1 2 249.314 1.406 20 0 BDADLO [NH3+][C@H](C(=O)N[C@@H]1C=CCCC1)c1cscn1 ZINC000335526949 386671022 /nfs/dbraw/zinc/67/10/22/386671022.db2.gz AVXXVJRJKGPLHY-SCZZXKLOSA-N 1 2 237.328 1.368 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCCO)o1 ZINC000330363715 386674903 /nfs/dbraw/zinc/67/49/03/386674903.db2.gz PYIHTTXSTAHRAQ-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCCO)o1 ZINC000330363715 386674910 /nfs/dbraw/zinc/67/49/10/386674910.db2.gz PYIHTTXSTAHRAQ-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C1CC1 ZINC000148742080 386676318 /nfs/dbraw/zinc/67/63/18/386676318.db2.gz YIATYZXEHTXTJS-SSDOTTSWSA-N 1 2 205.261 1.648 20 0 BDADLO C[C@H](CCCO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301865754 386682862 /nfs/dbraw/zinc/68/28/62/386682862.db2.gz DJCQDEYPUDVDOJ-SECBINFHSA-N 1 2 246.314 1.785 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000335532530 386682820 /nfs/dbraw/zinc/68/28/20/386682820.db2.gz VAMXXOXJBQFXRZ-JTQLQIEISA-N 1 2 247.298 1.115 20 0 BDADLO C[C@H](N(C)C(=O)CCc1[nH]cc[nH+]1)C1(C)CC1 ZINC000279416168 386680938 /nfs/dbraw/zinc/68/09/38/386680938.db2.gz KXEBJPUVOFTKOR-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]([NH2+]CCO)c1nc(C2CCCCC2)no1 ZINC000185273857 386681680 /nfs/dbraw/zinc/68/16/80/386681680.db2.gz XQJAAPLZVGLEBS-VIFPVBQESA-N 1 2 239.319 1.760 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000328930587 386656615 /nfs/dbraw/zinc/65/66/15/386656615.db2.gz HNSXDWJOBBORCR-MMWGEVLESA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000328930587 386656620 /nfs/dbraw/zinc/65/66/20/386656620.db2.gz HNSXDWJOBBORCR-MMWGEVLESA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000328930587 386656627 /nfs/dbraw/zinc/65/66/27/386656627.db2.gz HNSXDWJOBBORCR-MMWGEVLESA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000328930587 386656630 /nfs/dbraw/zinc/65/66/30/386656630.db2.gz HNSXDWJOBBORCR-MMWGEVLESA-N 1 2 236.319 1.223 20 0 BDADLO CCCCCNC(=O)COc1cc[nH+]cc1 ZINC000292356440 386657282 /nfs/dbraw/zinc/65/72/82/386657282.db2.gz FDLBUBJSORUMJE-UHFFFAOYSA-N 1 2 222.288 1.767 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](CC1CC1)C(=O)OC ZINC000414488229 386709599 /nfs/dbraw/zinc/70/95/99/386709599.db2.gz LNUJIWXKLAQRRP-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1nccn1C(F)F ZINC000352836630 386684818 /nfs/dbraw/zinc/68/48/18/386684818.db2.gz VRQRSLICYPOZSZ-UHFFFAOYSA-N 1 2 241.245 1.600 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](O)CSC)C(=O)OC ZINC000187890608 386687817 /nfs/dbraw/zinc/68/78/17/386687817.db2.gz JCGUWQVTGLDWHI-ONGXEEELSA-N 1 2 249.376 1.032 20 0 BDADLO CCc1nocc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000647956330 386689890 /nfs/dbraw/zinc/68/98/90/386689890.db2.gz JNTSUBJHUTVLNQ-UWVGGRQHSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000647956330 386689895 /nfs/dbraw/zinc/68/98/95/386689895.db2.gz JNTSUBJHUTVLNQ-UWVGGRQHSA-N 1 2 224.304 1.846 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH+]ccn1C)n1cccc1 ZINC000520567071 386693692 /nfs/dbraw/zinc/69/36/92/386693692.db2.gz IZTPQXVSQWEZLP-NSHDSACASA-N 1 2 246.314 1.489 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cn1 ZINC000391931011 386695545 /nfs/dbraw/zinc/69/55/45/386695545.db2.gz GZUGCHYEUPVUEJ-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000352846432 386712252 /nfs/dbraw/zinc/71/22/52/386712252.db2.gz PLIIJPKNLGQYSF-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CCCCC1)[C@@H](C)O ZINC000191963082 386731040 /nfs/dbraw/zinc/73/10/40/386731040.db2.gz PFVDXPPEWLNMMH-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nn(C)cc1Cl ZINC000335534957 386737114 /nfs/dbraw/zinc/73/71/14/386737114.db2.gz WDTBUCZKRHQQCD-IUCAKERBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nn(C)cc1Cl ZINC000335534957 386737117 /nfs/dbraw/zinc/73/71/17/386737117.db2.gz WDTBUCZKRHQQCD-IUCAKERBSA-N 1 2 243.738 1.419 20 0 BDADLO COC1(CC[N@@H+]2CC(F)(F)C[C@H]2CO)CCC1 ZINC000645128736 386738676 /nfs/dbraw/zinc/73/86/76/386738676.db2.gz LOUAPCZHHHZCNK-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO COC1(CC[N@H+]2CC(F)(F)C[C@H]2CO)CCC1 ZINC000645128736 386738682 /nfs/dbraw/zinc/73/86/82/386738682.db2.gz LOUAPCZHHHZCNK-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)o1 ZINC000247941450 386739015 /nfs/dbraw/zinc/73/90/15/386739015.db2.gz ADOISTKCMMVOHS-JTQLQIEISA-N 1 2 224.304 1.497 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C)o1 ZINC000247941450 386739025 /nfs/dbraw/zinc/73/90/25/386739025.db2.gz ADOISTKCMMVOHS-JTQLQIEISA-N 1 2 224.304 1.497 20 0 BDADLO CN(C)c1ccc(CNC(=O)C(F)F)c[nH+]1 ZINC000279635964 386713163 /nfs/dbraw/zinc/71/31/63/386713163.db2.gz ZQHYSPKJNQGAPQ-UHFFFAOYSA-N 1 2 229.230 1.029 20 0 BDADLO C[N@H+](Cc1cnn[nH]1)CC1(c2ccccc2)CC1 ZINC000450805813 386716825 /nfs/dbraw/zinc/71/68/25/386716825.db2.gz BJPDJTWLXLWAMW-UHFFFAOYSA-N 1 2 242.326 1.968 20 0 BDADLO C[N@@H+](Cc1cnn[nH]1)CC1(c2ccccc2)CC1 ZINC000450805813 386716831 /nfs/dbraw/zinc/71/68/31/386716831.db2.gz BJPDJTWLXLWAMW-UHFFFAOYSA-N 1 2 242.326 1.968 20 0 BDADLO C[N@H+](Cc1c[nH]nn1)CC1(c2ccccc2)CC1 ZINC000450805813 386716834 /nfs/dbraw/zinc/71/68/34/386716834.db2.gz BJPDJTWLXLWAMW-UHFFFAOYSA-N 1 2 242.326 1.968 20 0 BDADLO C[N@@H+](Cc1c[nH]nn1)CC1(c2ccccc2)CC1 ZINC000450805813 386716840 /nfs/dbraw/zinc/71/68/40/386716840.db2.gz BJPDJTWLXLWAMW-UHFFFAOYSA-N 1 2 242.326 1.968 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)CC1(c2ccccc2)CC1 ZINC000450805813 386716849 /nfs/dbraw/zinc/71/68/49/386716849.db2.gz BJPDJTWLXLWAMW-UHFFFAOYSA-N 1 2 242.326 1.968 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)CC1(c2ccccc2)CC1 ZINC000450805813 386716851 /nfs/dbraw/zinc/71/68/51/386716851.db2.gz BJPDJTWLXLWAMW-UHFFFAOYSA-N 1 2 242.326 1.968 20 0 BDADLO CC1(C)CCC[C@@H]1NCC(F)(F)C[NH3+] ZINC000414928156 386717191 /nfs/dbraw/zinc/71/71/91/386717191.db2.gz LWXUPXPDSGGGRT-QMMMGPOBSA-N 1 2 206.280 1.749 20 0 BDADLO COC[C@H](O)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292758915 386720438 /nfs/dbraw/zinc/72/04/38/386720438.db2.gz OHYFHYLQJQHEFP-GHMZBOCLSA-N 1 2 245.269 1.590 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CCOCC1 ZINC000330461443 386721559 /nfs/dbraw/zinc/72/15/59/386721559.db2.gz SFKFKJUHVODPEG-VIFPVBQESA-N 1 2 237.303 1.089 20 0 BDADLO CO[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357117348 386721578 /nfs/dbraw/zinc/72/15/78/386721578.db2.gz OGGWPSRGYJDTGI-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335541446 386722346 /nfs/dbraw/zinc/72/23/46/386722346.db2.gz WKOOIHZZPDNSBA-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335541446 386722349 /nfs/dbraw/zinc/72/23/49/386722349.db2.gz WKOOIHZZPDNSBA-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cn[nH]c1 ZINC000292903592 386745664 /nfs/dbraw/zinc/74/56/64/386745664.db2.gz KFBVQKDMWXCDPP-QMMMGPOBSA-N 1 2 248.334 1.676 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)nn2)CCS1 ZINC000335539931 386747300 /nfs/dbraw/zinc/74/73/00/386747300.db2.gz KXJDSMHQSAOZAW-SNVBAGLBSA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)nn2)CCS1 ZINC000335539931 386747304 /nfs/dbraw/zinc/74/73/04/386747304.db2.gz KXJDSMHQSAOZAW-SNVBAGLBSA-N 1 2 226.349 1.143 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1ccsc1 ZINC000348530462 386749957 /nfs/dbraw/zinc/74/99/57/386749957.db2.gz BDOVNKFSEATIMQ-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO CCOc1cncc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000357296030 386753415 /nfs/dbraw/zinc/75/34/15/386753415.db2.gz DXJVDKKNTUUFPV-JTQLQIEISA-N 1 2 247.302 1.572 20 0 BDADLO CCc1noc(C[N@@H+](CC)[C@H]2CCOC2)n1 ZINC000643400923 386756337 /nfs/dbraw/zinc/75/63/37/386756337.db2.gz WYYVMXCPBWATBY-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+](CC)[C@H]2CCOC2)n1 ZINC000643400923 386756342 /nfs/dbraw/zinc/75/63/42/386756342.db2.gz WYYVMXCPBWATBY-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO Cc1cccc2[nH+]c(CNCc3cocn3)cn21 ZINC000192310864 386759492 /nfs/dbraw/zinc/75/94/92/386759492.db2.gz SOBSYPNPHYZNOA-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOCC23CCC3)n1 ZINC000334144598 386743259 /nfs/dbraw/zinc/74/32/59/386743259.db2.gz IBRATCDCOKSZLA-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1ccc(C[N@H+]2CCOCC23CCC3)n1 ZINC000334144598 386743264 /nfs/dbraw/zinc/74/32/64/386743264.db2.gz IBRATCDCOKSZLA-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ncn1 ZINC000293255631 386792678 /nfs/dbraw/zinc/79/26/78/386792678.db2.gz RQJLSNKUYVDSCI-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ncn1 ZINC000293255631 386792687 /nfs/dbraw/zinc/79/26/87/386792687.db2.gz RQJLSNKUYVDSCI-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO CSc1cc(C[NH2+]Cc2cn(C)nn2)ccn1 ZINC000357364614 386770978 /nfs/dbraw/zinc/77/09/78/386770978.db2.gz KBPVNTLQLVEZGU-UHFFFAOYSA-N 1 2 249.343 1.222 20 0 BDADLO CCC[C@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000336761658 386796141 /nfs/dbraw/zinc/79/61/41/386796141.db2.gz MXUNJDNKJXDFJR-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CC2=CCCOC2)no1 ZINC000269300227 386777399 /nfs/dbraw/zinc/77/73/99/386777399.db2.gz RIXXDIDSJJTQFS-UHFFFAOYSA-N 1 2 237.303 1.549 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000396572422 386782161 /nfs/dbraw/zinc/78/21/61/386782161.db2.gz FNUXNTUJCJQZIO-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO C[N@@H+](Cc1ccoc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000330615522 386819448 /nfs/dbraw/zinc/81/94/48/386819448.db2.gz UGDCDKQNILIJDG-NSHDSACASA-N 1 2 243.328 1.146 20 0 BDADLO C[N@H+](Cc1ccoc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000330615522 386819450 /nfs/dbraw/zinc/81/94/50/386819450.db2.gz UGDCDKQNILIJDG-NSHDSACASA-N 1 2 243.328 1.146 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CC[C@@H](C)O)[C@@H](C)CC ZINC000411484515 386820736 /nfs/dbraw/zinc/82/07/36/386820736.db2.gz YMKAZXKZEPERCP-HBNTYKKESA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000458112025 386823510 /nfs/dbraw/zinc/82/35/10/386823510.db2.gz VBESDLDEGCSGSF-SDDRHHMPSA-N 1 2 247.342 1.606 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000293288759 386798104 /nfs/dbraw/zinc/79/81/04/386798104.db2.gz UGFUMSBTFOKUTL-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000293288759 386798107 /nfs/dbraw/zinc/79/81/07/386798107.db2.gz UGFUMSBTFOKUTL-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000192982620 386807526 /nfs/dbraw/zinc/80/75/26/386807526.db2.gz FGVRRIOENKMTMQ-ZDUSSCGKSA-N 1 2 247.346 1.532 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000192982620 386807532 /nfs/dbraw/zinc/80/75/32/386807532.db2.gz FGVRRIOENKMTMQ-ZDUSSCGKSA-N 1 2 247.346 1.532 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CC[C@@H](C)O2)no1 ZINC000248967950 386809960 /nfs/dbraw/zinc/80/99/60/386809960.db2.gz RJLNHENAKBFHOT-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CC[C@@H](C)O2)no1 ZINC000248967950 386809965 /nfs/dbraw/zinc/80/99/65/386809965.db2.gz RJLNHENAKBFHOT-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(N)=O ZINC000330649160 386810503 /nfs/dbraw/zinc/81/05/03/386810503.db2.gz IPENHQZLQZSPGZ-VIFPVBQESA-N 1 2 207.277 1.746 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(N)=O ZINC000330649160 386810509 /nfs/dbraw/zinc/81/05/09/386810509.db2.gz IPENHQZLQZSPGZ-VIFPVBQESA-N 1 2 207.277 1.746 20 0 BDADLO Cc1cc(N2CC[C@@H](O)CC(C)(C)C2)nc[nH+]1 ZINC000395319462 386813024 /nfs/dbraw/zinc/81/30/24/386813024.db2.gz LDJXYOIQWYNRCH-LLVKDONJSA-N 1 2 235.331 1.772 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn2c(cccc2C)n1 ZINC000293501687 386825345 /nfs/dbraw/zinc/82/53/45/386825345.db2.gz HKFCSJPSESGHDE-ZDUSSCGKSA-N 1 2 245.326 1.863 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn2c(cccc2C)n1 ZINC000293501687 386825350 /nfs/dbraw/zinc/82/53/50/386825350.db2.gz HKFCSJPSESGHDE-ZDUSSCGKSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCCCO1 ZINC000334774329 386826359 /nfs/dbraw/zinc/82/63/59/386826359.db2.gz XEIFRCSPJZMRBX-CYBMUJFWSA-N 1 2 234.299 1.710 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnc([C@H](C)O)s1 ZINC000293533860 386831380 /nfs/dbraw/zinc/83/13/80/386831380.db2.gz CAYMUBJVHOHWOH-IUCAKERBSA-N 1 2 242.344 1.417 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnc([C@H](C)O)s1 ZINC000293533860 386831387 /nfs/dbraw/zinc/83/13/87/386831387.db2.gz CAYMUBJVHOHWOH-IUCAKERBSA-N 1 2 242.344 1.417 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000293562750 386839460 /nfs/dbraw/zinc/83/94/60/386839460.db2.gz MHKYFKNTHFGFBU-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000293562750 386839464 /nfs/dbraw/zinc/83/94/64/386839464.db2.gz MHKYFKNTHFGFBU-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2CCC=C(C)C2)n1 ZINC000280719039 386840121 /nfs/dbraw/zinc/84/01/21/386840121.db2.gz FLXZCTIYTZUDQQ-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2CCC=C(C)C2)n1 ZINC000280719039 386840127 /nfs/dbraw/zinc/84/01/27/386840127.db2.gz FLXZCTIYTZUDQQ-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC=C(C)C1 ZINC000280713835 386840998 /nfs/dbraw/zinc/84/09/98/386840998.db2.gz DXAJYBYZUUJDNX-CYBMUJFWSA-N 1 2 246.310 1.948 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC=C(C)C1 ZINC000280713835 386841001 /nfs/dbraw/zinc/84/10/01/386841001.db2.gz DXAJYBYZUUJDNX-CYBMUJFWSA-N 1 2 246.310 1.948 20 0 BDADLO CC[C@H](CSC)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341126767 386842493 /nfs/dbraw/zinc/84/24/93/386842493.db2.gz LUGBUXPJHAXTIX-SSDOTTSWSA-N 1 2 230.337 1.084 20 0 BDADLO CC[C@H](CSC)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341126767 386842497 /nfs/dbraw/zinc/84/24/97/386842497.db2.gz LUGBUXPJHAXTIX-SSDOTTSWSA-N 1 2 230.337 1.084 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn2ccccc2n1 ZINC000293582409 386843202 /nfs/dbraw/zinc/84/32/02/386843202.db2.gz NTLROPZDTFNQHE-LBPRGKRZSA-N 1 2 231.299 1.555 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn2ccccc2n1 ZINC000293582409 386843208 /nfs/dbraw/zinc/84/32/08/386843208.db2.gz NTLROPZDTFNQHE-LBPRGKRZSA-N 1 2 231.299 1.555 20 0 BDADLO Cn1nnc(C[NH2+][C@@H]2CCc3ccc(F)cc32)n1 ZINC000330261612 386844133 /nfs/dbraw/zinc/84/41/33/386844133.db2.gz PGNHNEXJJKKDLA-LLVKDONJSA-N 1 2 247.277 1.126 20 0 BDADLO CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(COC)no1 ZINC000330262258 386844167 /nfs/dbraw/zinc/84/41/67/386844167.db2.gz UTFBGZKHCUUEOF-BDAKNGLRSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@H]1CC[N@H+]1[C@H](C)c1nc(COC)no1 ZINC000330262258 386844168 /nfs/dbraw/zinc/84/41/68/386844168.db2.gz UTFBGZKHCUUEOF-BDAKNGLRSA-N 1 2 225.292 1.761 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000331363040 386844712 /nfs/dbraw/zinc/84/47/12/386844712.db2.gz ABBMDRBUPDPKAH-QEYWKRMJSA-N 1 2 240.303 1.184 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000331363040 386844719 /nfs/dbraw/zinc/84/47/19/386844719.db2.gz ABBMDRBUPDPKAH-QEYWKRMJSA-N 1 2 240.303 1.184 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1c(Cl)cnn1C ZINC000293631387 386850696 /nfs/dbraw/zinc/85/06/96/386850696.db2.gz LNEFIDDWACRRIS-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1c(Cl)cnn1C ZINC000293631387 386850701 /nfs/dbraw/zinc/85/07/01/386850701.db2.gz LNEFIDDWACRRIS-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1cnc(CNc2cc[nH+]c(C(C)(C)C)n2)n1 ZINC000301914956 386891221 /nfs/dbraw/zinc/89/12/21/386891221.db2.gz GDMYOQSJEVGOKC-UHFFFAOYSA-N 1 2 246.318 1.515 20 0 BDADLO C[C@H](CO)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301915238 386891788 /nfs/dbraw/zinc/89/17/88/386891788.db2.gz VHTAFVPVFLPDEB-MRVPVSSYSA-N 1 2 232.287 1.029 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000335745218 386865287 /nfs/dbraw/zinc/86/52/87/386865287.db2.gz SILVIPUKUKOALL-MWLCHTKSSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CC[C@@](C)(F)C1 ZINC000335745218 386865289 /nfs/dbraw/zinc/86/52/89/386865289.db2.gz SILVIPUKUKOALL-MWLCHTKSSA-N 1 2 209.268 1.972 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544104 386867064 /nfs/dbraw/zinc/86/70/64/386867064.db2.gz ASRZDWYCJIROAJ-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544104 386867071 /nfs/dbraw/zinc/86/70/71/386867071.db2.gz ASRZDWYCJIROAJ-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](CCO)c2ccco2)n1C ZINC000341260654 386869965 /nfs/dbraw/zinc/86/99/65/386869965.db2.gz OWWBRUOUZVSYEE-NSHDSACASA-N 1 2 249.314 1.535 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccon1 ZINC000357944468 386870948 /nfs/dbraw/zinc/87/09/48/386870948.db2.gz NFWHWKPTEHMTHN-SECBINFHSA-N 1 2 234.259 1.139 20 0 BDADLO CC(C)(C(=O)N1CCCC1)c1c[nH+]c[nH]1 ZINC000334833712 386872130 /nfs/dbraw/zinc/87/21/30/386872130.db2.gz WZBSFPLKHVCVAF-UHFFFAOYSA-N 1 2 207.277 1.310 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccn2C)C[C@@H](C)S1=O ZINC000335751284 386876208 /nfs/dbraw/zinc/87/62/08/386876208.db2.gz MXWIMJXNLNKKKV-GHMZBOCLSA-N 1 2 240.372 1.366 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CC[C@H](C)C2 ZINC000334835086 386877096 /nfs/dbraw/zinc/87/70/96/386877096.db2.gz CZRKJOQCULIFMV-CABZTGNLSA-N 1 2 210.321 1.733 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc[nH]2)[C@H]1[C@H]1CCCO1 ZINC000334839561 386881742 /nfs/dbraw/zinc/88/17/42/386881742.db2.gz KCHLKQVENPQMTH-PWSUYJOCSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)[C@H]1[C@H]1CCCO1 ZINC000334839561 386881747 /nfs/dbraw/zinc/88/17/47/386881747.db2.gz KCHLKQVENPQMTH-PWSUYJOCSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)CN(Cc2[nH]cc[nH+]2)[C@H]1[C@H]1CCCO1 ZINC000334839561 386881752 /nfs/dbraw/zinc/88/17/52/386881752.db2.gz KCHLKQVENPQMTH-PWSUYJOCSA-N 1 2 235.331 1.799 20 0 BDADLO Cc1nocc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000293824850 386885217 /nfs/dbraw/zinc/88/52/17/386885217.db2.gz DMIWPBKTUFKHMS-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1nocc1C[N@H+](C)CCNC(=O)C(C)C ZINC000293824850 386885219 /nfs/dbraw/zinc/88/52/19/386885219.db2.gz DMIWPBKTUFKHMS-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO CC[C@@H](CCO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301908506 386889882 /nfs/dbraw/zinc/88/98/82/386889882.db2.gz RJBBDDSHKZSNQH-VIFPVBQESA-N 1 2 246.314 1.785 20 0 BDADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)[C@H](C)CO ZINC000301905849 386890016 /nfs/dbraw/zinc/89/00/16/386890016.db2.gz QHKJROUWCVHRSO-RKDXNWHRSA-N 1 2 246.314 1.641 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000336762320 386914976 /nfs/dbraw/zinc/91/49/76/386914976.db2.gz NSAQXMOHHOXXOE-SFYZADRCSA-N 1 2 213.281 1.454 20 0 BDADLO CN(CC1(O)CCC1)c1[nH+]c2ccccc2n1C ZINC000335770244 386915940 /nfs/dbraw/zinc/91/59/40/386915940.db2.gz KDXPTJUXDRBCPD-UHFFFAOYSA-N 1 2 245.326 1.925 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2noc(C)n2)C1(C)C ZINC000331770579 386899891 /nfs/dbraw/zinc/89/98/91/386899891.db2.gz LNZMGANZBMOGME-FKTZTGRPSA-N 1 2 239.319 1.842 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cncc(C)c2)n1C ZINC000341393580 386901726 /nfs/dbraw/zinc/90/17/26/386901726.db2.gz MQOMPNVEVRERCR-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO Cc1c[nH+]c(CNCc2cncc(C)c2)n1C ZINC000341393580 386901732 /nfs/dbraw/zinc/90/17/32/386901732.db2.gz MQOMPNVEVRERCR-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cccnc1 ZINC000358186908 386909203 /nfs/dbraw/zinc/90/92/03/386909203.db2.gz JILGXPKARGAVOH-SECBINFHSA-N 1 2 244.302 1.254 20 0 BDADLO c1cn(CCNc2cc[nH+]c(C3CC3)n2)nn1 ZINC000302200065 386912172 /nfs/dbraw/zinc/91/21/72/386912172.db2.gz UWUYUAQEHMKVFE-UHFFFAOYSA-N 1 2 230.275 1.058 20 0 BDADLO CC(C)c1nc(N(CCO)C2CCC2)cc[nH+]1 ZINC000302584800 386927755 /nfs/dbraw/zinc/92/77/55/386927755.db2.gz UWOPADZNQSWUNR-UHFFFAOYSA-N 1 2 235.331 1.951 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H](OC)C(C)C ZINC000330962348 386930705 /nfs/dbraw/zinc/93/07/05/386930705.db2.gz GGWPNAKFTAAUFR-GFCCVEGCSA-N 1 2 236.315 1.675 20 0 BDADLO Cc1nc(N2C[C@H](CO)C[C@H](C)C2)cc[nH+]1 ZINC000398639135 386931950 /nfs/dbraw/zinc/93/19/50/386931950.db2.gz VVCQVEROWVPTNA-GXSJLCMTSA-N 1 2 221.304 1.240 20 0 BDADLO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCNC1=O ZINC000334877544 386939471 /nfs/dbraw/zinc/93/94/71/386939471.db2.gz CYVQUMIFFNQZBF-LLVKDONJSA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCNC1=O ZINC000334877544 386939476 /nfs/dbraw/zinc/93/94/76/386939476.db2.gz CYVQUMIFFNQZBF-LLVKDONJSA-N 1 2 240.253 1.285 20 0 BDADLO Nc1nc(NCCCCO)[nH+]c2ccccc12 ZINC000302862853 386941735 /nfs/dbraw/zinc/94/17/35/386941735.db2.gz RNNRKFIDILFTHN-UHFFFAOYSA-N 1 2 232.287 1.396 20 0 BDADLO Cc1noc([C@H]2CC[N@H+](Cc3ncccn3)C2)n1 ZINC000332068643 386955430 /nfs/dbraw/zinc/95/54/30/386955430.db2.gz AOTMVDXNBWYGJR-JTQLQIEISA-N 1 2 245.286 1.158 20 0 BDADLO Cc1noc([C@H]2CC[N@@H+](Cc3ncccn3)C2)n1 ZINC000332068643 386955433 /nfs/dbraw/zinc/95/54/33/386955433.db2.gz AOTMVDXNBWYGJR-JTQLQIEISA-N 1 2 245.286 1.158 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)CCc1c[nH+]cn1C ZINC000334885398 386958334 /nfs/dbraw/zinc/95/83/34/386958334.db2.gz YBUKDFKJOBDSQD-NXEZZACHSA-N 1 2 221.304 1.362 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000334885510 386959186 /nfs/dbraw/zinc/95/91/86/386959186.db2.gz LKKDMPVBOAKSSJ-JGVFFNPUSA-N 1 2 239.344 1.942 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000334885510 386959190 /nfs/dbraw/zinc/95/91/90/386959190.db2.gz LKKDMPVBOAKSSJ-JGVFFNPUSA-N 1 2 239.344 1.942 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2CCCO)no1 ZINC000052762784 386961708 /nfs/dbraw/zinc/96/17/08/386961708.db2.gz QBOSSGRZTFRQBS-JTQLQIEISA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2CCCO)no1 ZINC000052762784 386961715 /nfs/dbraw/zinc/96/17/15/386961715.db2.gz QBOSSGRZTFRQBS-JTQLQIEISA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(CC[N@@H+]2CCO[C@H]3C[C@H]32)cs1 ZINC000368333933 386962144 /nfs/dbraw/zinc/96/21/44/386962144.db2.gz UVTXEUBWTVYXMJ-MNOVXSKESA-N 1 2 224.329 1.467 20 0 BDADLO Cc1nc(CC[N@H+]2CCO[C@H]3C[C@H]32)cs1 ZINC000368333933 386962152 /nfs/dbraw/zinc/96/21/52/386962152.db2.gz UVTXEUBWTVYXMJ-MNOVXSKESA-N 1 2 224.329 1.467 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368341766 386963312 /nfs/dbraw/zinc/96/33/12/386963312.db2.gz PCIROQQYKOBLAB-NEPJUHHUSA-N 1 2 207.248 1.799 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368341766 386963316 /nfs/dbraw/zinc/96/33/16/386963316.db2.gz PCIROQQYKOBLAB-NEPJUHHUSA-N 1 2 207.248 1.799 20 0 BDADLO Cc1oncc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000334890320 386964269 /nfs/dbraw/zinc/96/42/69/386964269.db2.gz GIYZSQZHXPDGON-NSHDSACASA-N 1 2 228.267 1.279 20 0 BDADLO Cc1oncc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000334890320 386964272 /nfs/dbraw/zinc/96/42/72/386964272.db2.gz GIYZSQZHXPDGON-NSHDSACASA-N 1 2 228.267 1.279 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(n2ccnn2)C1 ZINC000425355993 386965378 /nfs/dbraw/zinc/96/53/78/386965378.db2.gz OYQOENYBCZGABJ-UHFFFAOYSA-N 1 2 246.318 1.112 20 0 BDADLO CC(C)n1cc(C[NH+]2CC(CC(F)F)C2)nn1 ZINC000425363932 386973672 /nfs/dbraw/zinc/97/36/72/386973672.db2.gz DKDIAOPCMFVRRT-UHFFFAOYSA-N 1 2 244.289 1.946 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C(C)C)[nH]1 ZINC000331128203 386980354 /nfs/dbraw/zinc/98/03/54/386980354.db2.gz CDBQFMZHKBMIFB-UHFFFAOYSA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C(C)C)[nH]1 ZINC000331128203 386980359 /nfs/dbraw/zinc/98/03/59/386980359.db2.gz CDBQFMZHKBMIFB-UHFFFAOYSA-N 1 2 226.324 1.131 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2C[C@@](C)(O)C2)c(C)[nH+]1 ZINC000334910032 386983694 /nfs/dbraw/zinc/98/36/94/386983694.db2.gz TWORNUGTEKTVPK-GSJFWJNXSA-N 1 2 249.314 1.733 20 0 BDADLO COCc1ccc(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000358585113 386983991 /nfs/dbraw/zinc/98/39/91/386983991.db2.gz GPHXXNOZMCAJCP-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO COCc1ccc(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000358585113 386983992 /nfs/dbraw/zinc/98/39/92/386983992.db2.gz GPHXXNOZMCAJCP-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO FC(F)OC[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000353020292 386990317 /nfs/dbraw/zinc/99/03/17/386990317.db2.gz ADFVBYLDNWIUOS-SECBINFHSA-N 1 2 243.257 1.538 20 0 BDADLO FC(F)OC[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000353020292 386990320 /nfs/dbraw/zinc/99/03/20/386990320.db2.gz ADFVBYLDNWIUOS-SECBINFHSA-N 1 2 243.257 1.538 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331210359 386990446 /nfs/dbraw/zinc/99/04/46/386990446.db2.gz XOUBFMYAZWEHET-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331210359 386990450 /nfs/dbraw/zinc/99/04/50/386990450.db2.gz XOUBFMYAZWEHET-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO FC(F)OC[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000353029698 386992721 /nfs/dbraw/zinc/99/27/21/386992721.db2.gz QMHMMOOIUFXOPT-QMMMGPOBSA-N 1 2 231.246 1.471 20 0 BDADLO FC(F)OC[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000353029698 386992722 /nfs/dbraw/zinc/99/27/22/386992722.db2.gz QMHMMOOIUFXOPT-QMMMGPOBSA-N 1 2 231.246 1.471 20 0 BDADLO CC(C)(C)C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332605661 386993679 /nfs/dbraw/zinc/99/36/79/386993679.db2.gz BXRHJHNSTBPLOR-VIFPVBQESA-N 1 2 238.335 1.768 20 0 BDADLO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332605661 386993684 /nfs/dbraw/zinc/99/36/84/386993684.db2.gz BXRHJHNSTBPLOR-VIFPVBQESA-N 1 2 238.335 1.768 20 0 BDADLO CC[C@]1(O)CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332632624 386994717 /nfs/dbraw/zinc/99/47/17/386994717.db2.gz INCKXUVZSIZWII-KCJUWKMLSA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@]1(O)CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332632624 386994720 /nfs/dbraw/zinc/99/47/20/386994720.db2.gz INCKXUVZSIZWII-KCJUWKMLSA-N 1 2 225.292 1.286 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000332672525 386999000 /nfs/dbraw/zinc/99/90/00/386999000.db2.gz IKFHJNXRADTKAW-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000332672525 386999007 /nfs/dbraw/zinc/99/90/07/386999007.db2.gz IKFHJNXRADTKAW-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000332652410 386999631 /nfs/dbraw/zinc/99/96/31/386999631.db2.gz MPYUGDOXJYHBJN-VIFPVBQESA-N 1 2 224.308 1.149 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000332652410 386999634 /nfs/dbraw/zinc/99/96/34/386999634.db2.gz MPYUGDOXJYHBJN-VIFPVBQESA-N 1 2 224.308 1.149 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cscn1)C2 ZINC000368690102 387002460 /nfs/dbraw/zinc/00/24/60/387002460.db2.gz UCMSZHWNECCWNI-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1nnc(C)[nH]1 ZINC000331312671 387002684 /nfs/dbraw/zinc/00/26/84/387002684.db2.gz CEKKWKFNLCFZCJ-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1nnc(C)[nH]1 ZINC000331312671 387002690 /nfs/dbraw/zinc/00/26/90/387002690.db2.gz CEKKWKFNLCFZCJ-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000332705721 387004496 /nfs/dbraw/zinc/00/44/96/387004496.db2.gz NZONYNMZSLEHSL-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000332705721 387004501 /nfs/dbraw/zinc/00/45/01/387004501.db2.gz NZONYNMZSLEHSL-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO Cc1noc(C[N@H+](CCCCO)C2CC2)n1 ZINC000304319954 387030373 /nfs/dbraw/zinc/03/03/73/387030373.db2.gz IQXWABLLKIPEKS-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1noc(C[N@@H+](CCCCO)C2CC2)n1 ZINC000304319954 387030380 /nfs/dbraw/zinc/03/03/80/387030380.db2.gz IQXWABLLKIPEKS-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO COC(=O)[C@H]1CN(c2cccc[nH+]2)CC12CCC2 ZINC000369333707 387037653 /nfs/dbraw/zinc/03/76/53/387037653.db2.gz FSSJSCOZLZVFAL-LLVKDONJSA-N 1 2 246.310 1.861 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000369317292 387038478 /nfs/dbraw/zinc/03/84/78/387038478.db2.gz WAJYANROHUSZPS-CYBMUJFWSA-N 1 2 249.310 1.703 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000369317292 387038482 /nfs/dbraw/zinc/03/84/82/387038482.db2.gz WAJYANROHUSZPS-CYBMUJFWSA-N 1 2 249.310 1.703 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000369317293 387038569 /nfs/dbraw/zinc/03/85/69/387038569.db2.gz WAJYANROHUSZPS-ZDUSSCGKSA-N 1 2 249.310 1.703 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000369317293 387038577 /nfs/dbraw/zinc/03/85/77/387038577.db2.gz WAJYANROHUSZPS-ZDUSSCGKSA-N 1 2 249.310 1.703 20 0 BDADLO c1c[nH]c([C@H]([NH2+][C@H]2CCOC2)c2cccnc2)n1 ZINC000358972684 387040533 /nfs/dbraw/zinc/04/05/33/387040533.db2.gz WWIWCPOYXQVUGX-NWDGAFQWSA-N 1 2 244.298 1.273 20 0 BDADLO c1c[nH]c([C@H]([NH2+][C@@H]2CCOC2)c2cccnc2)n1 ZINC000358972686 387040675 /nfs/dbraw/zinc/04/06/75/387040675.db2.gz WWIWCPOYXQVUGX-VXGBXAGGSA-N 1 2 244.298 1.273 20 0 BDADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000369390328 387041583 /nfs/dbraw/zinc/04/15/83/387041583.db2.gz ZEBRHAGWCLNYOS-VHSXEESVSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000369390328 387041584 /nfs/dbraw/zinc/04/15/84/387041584.db2.gz ZEBRHAGWCLNYOS-VHSXEESVSA-N 1 2 211.261 1.034 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000369366166 387041901 /nfs/dbraw/zinc/04/19/01/387041901.db2.gz KTFDGHOWVSFMMR-NSHDSACASA-N 1 2 247.342 1.926 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CSC1(C)C ZINC000328772219 387051866 /nfs/dbraw/zinc/05/18/66/387051866.db2.gz DGSBRDSLPKRJAL-QMMMGPOBSA-N 1 2 249.343 1.669 20 0 BDADLO CSc1cc(C(=O)NCc2c[nH+]c[nH]2)ccn1 ZINC000359126658 387057255 /nfs/dbraw/zinc/05/72/55/387057255.db2.gz NHAKZVWHGFZBSC-UHFFFAOYSA-N 1 2 248.311 1.457 20 0 BDADLO CSc1cc(C(=O)NCc2c[nH]c[nH+]2)ccn1 ZINC000359126658 387057257 /nfs/dbraw/zinc/05/72/57/387057257.db2.gz NHAKZVWHGFZBSC-UHFFFAOYSA-N 1 2 248.311 1.457 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000359118711 387058224 /nfs/dbraw/zinc/05/82/24/387058224.db2.gz AEADXOQLXKMOFH-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000359118711 387058230 /nfs/dbraw/zinc/05/82/30/387058230.db2.gz AEADXOQLXKMOFH-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)c1cccnc1 ZINC000359142749 387059447 /nfs/dbraw/zinc/05/94/47/387059447.db2.gz ZWMXHCJTDUTDGO-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)c1cccnc1 ZINC000359142749 387059449 /nfs/dbraw/zinc/05/94/49/387059449.db2.gz ZWMXHCJTDUTDGO-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C(=O)OC(C)C ZINC000425372122 387012277 /nfs/dbraw/zinc/01/22/77/387012277.db2.gz RUVSVQJUCGXCIW-LPEHRKFASA-N 1 2 231.361 1.810 20 0 BDADLO Cc1ocnc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000358772741 387012565 /nfs/dbraw/zinc/01/25/65/387012565.db2.gz YVSFHTQCECZNAR-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CC[C@](C)([NH2+]CCC(F)(F)F)C(=O)OC ZINC000336746042 387013190 /nfs/dbraw/zinc/01/31/90/387013190.db2.gz BAZPDTXSLBPUAV-QMMMGPOBSA-N 1 2 227.226 1.870 20 0 BDADLO CCN(Cc1c[nH+]cn1C(C)C)C1COC1 ZINC000425373315 387013562 /nfs/dbraw/zinc/01/35/62/387013562.db2.gz VJLUYMSWQVPHMJ-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000519157538 387024968 /nfs/dbraw/zinc/02/49/68/387024968.db2.gz FOYUZDACJMUIRI-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000519157538 387024970 /nfs/dbraw/zinc/02/49/70/387024970.db2.gz FOYUZDACJMUIRI-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cn3ccsc3n2)CC12CC2 ZINC000334884613 387026707 /nfs/dbraw/zinc/02/67/07/387026707.db2.gz IXAIDGSRASGCAU-SNVBAGLBSA-N 1 2 249.339 1.353 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cn3ccsc3n2)CC12CC2 ZINC000334884613 387026711 /nfs/dbraw/zinc/02/67/11/387026711.db2.gz IXAIDGSRASGCAU-SNVBAGLBSA-N 1 2 249.339 1.353 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336233089 387070883 /nfs/dbraw/zinc/07/08/83/387070883.db2.gz RFFUFXMXGKQISW-QMMMGPOBSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336233089 387070886 /nfs/dbraw/zinc/07/08/86/387070886.db2.gz RFFUFXMXGKQISW-QMMMGPOBSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336233088 387070974 /nfs/dbraw/zinc/07/09/74/387070974.db2.gz RFFUFXMXGKQISW-MRVPVSSYSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336233088 387070976 /nfs/dbraw/zinc/07/09/76/387070976.db2.gz RFFUFXMXGKQISW-MRVPVSSYSA-N 1 2 221.304 1.429 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000359297931 387082014 /nfs/dbraw/zinc/08/20/14/387082014.db2.gz SDWKNKSCJNYUPJ-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C[C@@H](C)CC(C)C)C1 ZINC000418067780 387083374 /nfs/dbraw/zinc/08/33/74/387083374.db2.gz BYFSTKLAYJKMQT-NSHDSACASA-N 1 2 247.404 1.788 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(C)c1 ZINC000070990273 387084555 /nfs/dbraw/zinc/08/45/55/387084555.db2.gz AENZSMXAURVPIJ-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC(F)(F)F)C1CC1 ZINC000336765862 387087899 /nfs/dbraw/zinc/08/78/99/387087899.db2.gz OILQLACDPKXZLP-ZETCQYMHSA-N 1 2 241.209 1.064 20 0 BDADLO Cc1cnccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000334996978 387088397 /nfs/dbraw/zinc/08/83/97/387088397.db2.gz LTUAHCDTMXFRBS-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](F)C1 ZINC000336259475 387090447 /nfs/dbraw/zinc/09/04/47/387090447.db2.gz DPVPIMMSBSHXHT-DTWKUNHWSA-N 1 2 216.300 1.333 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](F)C1 ZINC000336259475 387090452 /nfs/dbraw/zinc/09/04/52/387090452.db2.gz DPVPIMMSBSHXHT-DTWKUNHWSA-N 1 2 216.300 1.333 20 0 BDADLO CCCC(=O)NCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119367705 387131290 /nfs/dbraw/zinc/13/12/90/387131290.db2.gz LRJYBWYLOQGKMU-UHFFFAOYSA-N 1 2 249.314 1.553 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)c1cnccn1 ZINC000370183339 387095481 /nfs/dbraw/zinc/09/54/81/387095481.db2.gz KPAWVRLHDLUXIX-UHFFFAOYSA-N 1 2 243.314 1.646 20 0 BDADLO CS[C@@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000336261517 387095893 /nfs/dbraw/zinc/09/58/93/387095893.db2.gz HIQDESLIDCNIEF-IONNQARKSA-N 1 2 227.333 1.876 20 0 BDADLO CS[C@@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000336261517 387095897 /nfs/dbraw/zinc/09/58/97/387095897.db2.gz HIQDESLIDCNIEF-IONNQARKSA-N 1 2 227.333 1.876 20 0 BDADLO CCn1c[nH+]cc1CN1CC(OC(F)F)C1 ZINC000418091414 387099019 /nfs/dbraw/zinc/09/90/19/387099019.db2.gz PXJYTRKKMDVCGS-UHFFFAOYSA-N 1 2 231.246 1.326 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119138247 387102583 /nfs/dbraw/zinc/10/25/83/387102583.db2.gz PNZDVCUGSWZDRV-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000336276414 387109100 /nfs/dbraw/zinc/10/91/00/387109100.db2.gz VENHNNVAYSYFQQ-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000336276414 387109103 /nfs/dbraw/zinc/10/91/03/387109103.db2.gz VENHNNVAYSYFQQ-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO O=C(CC1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334948592 387109901 /nfs/dbraw/zinc/10/99/01/387109901.db2.gz ZWTPDJOLKNPUFI-JTQLQIEISA-N 1 2 219.288 1.873 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000336279908 387109931 /nfs/dbraw/zinc/10/99/31/387109931.db2.gz JEQCNOSNETWWQE-LLVKDONJSA-N 1 2 210.252 1.252 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000336279908 387109939 /nfs/dbraw/zinc/10/99/39/387109939.db2.gz JEQCNOSNETWWQE-LLVKDONJSA-N 1 2 210.252 1.252 20 0 BDADLO O=C(CC1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334948594 387110497 /nfs/dbraw/zinc/11/04/97/387110497.db2.gz ZWTPDJOLKNPUFI-SNVBAGLBSA-N 1 2 219.288 1.873 20 0 BDADLO CC(=O)CC[NH+]1CCN([C@@H]2CCSC2)CC1 ZINC000370415444 387114026 /nfs/dbraw/zinc/11/40/26/387114026.db2.gz OCESKOXBFHFZPV-GFCCVEGCSA-N 1 2 242.388 1.089 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)c2ccnn2C)cc[nH+]1 ZINC000335023957 387114671 /nfs/dbraw/zinc/11/46/71/387114671.db2.gz ZEFFXVBKQUOYAW-JTQLQIEISA-N 1 2 244.298 1.288 20 0 BDADLO c1nnsc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000336291805 387123165 /nfs/dbraw/zinc/12/31/65/387123165.db2.gz SGKGNPHQHANRIC-JTQLQIEISA-N 1 2 241.385 1.866 20 0 BDADLO c1nnsc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000336291805 387123171 /nfs/dbraw/zinc/12/31/71/387123171.db2.gz SGKGNPHQHANRIC-JTQLQIEISA-N 1 2 241.385 1.866 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000074324044 387127209 /nfs/dbraw/zinc/12/72/09/387127209.db2.gz NSNAFTADHMFDCW-RKDXNWHRSA-N 1 2 225.292 1.321 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000074324044 387127217 /nfs/dbraw/zinc/12/72/17/387127217.db2.gz NSNAFTADHMFDCW-RKDXNWHRSA-N 1 2 225.292 1.321 20 0 BDADLO c1coc([C@H]2COCCN2Cc2c[nH+]c[nH]2)c1 ZINC000369774557 387068493 /nfs/dbraw/zinc/06/84/93/387068493.db2.gz UNMXGQZDKJZELO-LLVKDONJSA-N 1 2 233.271 1.576 20 0 BDADLO c1coc([C@H]2COCCN2Cc2c[nH]c[nH+]2)c1 ZINC000369774557 387068498 /nfs/dbraw/zinc/06/84/98/387068498.db2.gz UNMXGQZDKJZELO-LLVKDONJSA-N 1 2 233.271 1.576 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@H]1C ZINC000336318751 387144176 /nfs/dbraw/zinc/14/41/76/387144176.db2.gz WUPBIMGWNHXWOW-BDAKNGLRSA-N 1 2 222.336 1.942 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@H]1C ZINC000336318751 387144182 /nfs/dbraw/zinc/14/41/82/387144182.db2.gz WUPBIMGWNHXWOW-BDAKNGLRSA-N 1 2 222.336 1.942 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cn(C)nc1C ZINC000353157263 387146148 /nfs/dbraw/zinc/14/61/48/387146148.db2.gz UVDXOJCVVKBACS-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cn(C)nc1C ZINC000353157263 387146151 /nfs/dbraw/zinc/14/61/51/387146151.db2.gz UVDXOJCVVKBACS-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)co1 ZINC000336347546 387176932 /nfs/dbraw/zinc/17/69/32/387176932.db2.gz ICIYFHVJRXRJMK-NSHDSACASA-N 1 2 245.282 1.529 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ncnn1C ZINC000353336289 387183117 /nfs/dbraw/zinc/18/31/17/387183117.db2.gz NSUAHPVPXVGBKG-RKDXNWHRSA-N 1 2 249.293 1.761 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC12CCC(CC1)C2 ZINC000371317409 387191856 /nfs/dbraw/zinc/19/18/56/387191856.db2.gz BFIJVUBBHRISOH-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CC(C)[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000359600077 387133072 /nfs/dbraw/zinc/13/30/72/387133072.db2.gz MHYIKDWIJOKHJM-IUCAKERBSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000359600077 387133077 /nfs/dbraw/zinc/13/30/77/387133077.db2.gz MHYIKDWIJOKHJM-IUCAKERBSA-N 1 2 241.253 1.266 20 0 BDADLO COc1ccc[nH+]c1NCCC[S@@](C)=O ZINC000229296167 387134452 /nfs/dbraw/zinc/13/44/52/387134452.db2.gz KGLXMOVQXKNIDL-OAHLLOKOSA-N 1 2 228.317 1.271 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000228995522 387136426 /nfs/dbraw/zinc/13/64/26/387136426.db2.gz SAZVTTUTCKYMOC-JTQLQIEISA-N 1 2 221.304 1.852 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000228995522 387136431 /nfs/dbraw/zinc/13/64/31/387136431.db2.gz SAZVTTUTCKYMOC-JTQLQIEISA-N 1 2 221.304 1.852 20 0 BDADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000336311261 387139817 /nfs/dbraw/zinc/13/98/17/387139817.db2.gz GXYXLONQVDFFPZ-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000571689145 387140646 /nfs/dbraw/zinc/14/06/46/387140646.db2.gz QZVSLOIOVZSYFW-WDEREUQCSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458777706 387140751 /nfs/dbraw/zinc/14/07/51/387140751.db2.gz OVZWGVOYWALCCK-ONGXEEELSA-N 1 2 236.319 1.060 20 0 BDADLO FCCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000359965997 387203035 /nfs/dbraw/zinc/20/30/35/387203035.db2.gz IOEQLYRFAOQEFX-UHFFFAOYSA-N 1 2 238.310 1.882 20 0 BDADLO FCCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000359965997 387203039 /nfs/dbraw/zinc/20/30/39/387203039.db2.gz IOEQLYRFAOQEFX-UHFFFAOYSA-N 1 2 238.310 1.882 20 0 BDADLO C[N@H+](Cc1cc(F)ccc1F)[C@@H]1CCNC1=O ZINC000336382622 387213162 /nfs/dbraw/zinc/21/31/62/387213162.db2.gz KZYZWYQATMGOAI-LLVKDONJSA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1cc(F)ccc1F)[C@@H]1CCNC1=O ZINC000336382622 387213168 /nfs/dbraw/zinc/21/31/68/387213168.db2.gz KZYZWYQATMGOAI-LLVKDONJSA-N 1 2 240.253 1.285 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3cnnc3C2)c(C)n1 ZINC000360063565 387222754 /nfs/dbraw/zinc/22/27/54/387222754.db2.gz MHFJTMPQYLCQNL-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3cnnc3C2)c(C)n1 ZINC000360063565 387222760 /nfs/dbraw/zinc/22/27/60/387222760.db2.gz MHFJTMPQYLCQNL-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(O)c1 ZINC000353527648 387223003 /nfs/dbraw/zinc/22/30/03/387223003.db2.gz DYOBTWLYVBHZIS-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(O)c1 ZINC000353527648 387223009 /nfs/dbraw/zinc/22/30/09/387223009.db2.gz DYOBTWLYVBHZIS-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO Cc1cc(N[C@H]2[C@@H]3COC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000360116454 387229873 /nfs/dbraw/zinc/22/98/73/387229873.db2.gz SNRLGOCUXZXOGN-IAZYJMLFSA-N 1 2 231.299 1.141 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1nn(C)c2ccccc12 ZINC000648638718 387230788 /nfs/dbraw/zinc/23/07/88/387230788.db2.gz GUCVHKKHBVSAIA-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1nn(C)c2ccccc12 ZINC000648638718 387230791 /nfs/dbraw/zinc/23/07/91/387230791.db2.gz GUCVHKKHBVSAIA-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO C[C@H](O)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292877866 387233118 /nfs/dbraw/zinc/23/31/18/387233118.db2.gz XSQAQJPQXJYTTM-WCBMZHEXSA-N 1 2 215.243 1.963 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C[C@H]2C)o1 ZINC000353606215 387240524 /nfs/dbraw/zinc/24/05/24/387240524.db2.gz MSXKAPBLWDDALF-LLVKDONJSA-N 1 2 222.332 1.978 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C[C@H]2C)o1 ZINC000353606215 387240528 /nfs/dbraw/zinc/24/05/28/387240528.db2.gz MSXKAPBLWDDALF-LLVKDONJSA-N 1 2 222.332 1.978 20 0 BDADLO c1cc(N2CCOCC3(CC3)C2)nc(C2CC2)[nH+]1 ZINC000360183682 387241489 /nfs/dbraw/zinc/24/14/89/387241489.db2.gz FJKKLJZPLPFALE-UHFFFAOYSA-N 1 2 245.326 1.971 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@@H]1CCCC[C@@H]1O)CC2 ZINC000371700068 387241510 /nfs/dbraw/zinc/24/15/10/387241510.db2.gz MGLUKLFUBLMABS-NEPJUHHUSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@@H]1CCCC[C@@H]1O)CC2 ZINC000371700068 387241512 /nfs/dbraw/zinc/24/15/12/387241512.db2.gz MGLUKLFUBLMABS-NEPJUHHUSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)ccc1F ZINC000063061084 387242121 /nfs/dbraw/zinc/24/21/21/387242121.db2.gz WATSONHBOQUGBO-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC1(F)CCC1 ZINC000360226944 387247227 /nfs/dbraw/zinc/24/72/27/387247227.db2.gz RKBNSRNMGCNLRI-UHFFFAOYSA-N 1 2 239.294 1.741 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000336420180 387251388 /nfs/dbraw/zinc/25/13/88/387251388.db2.gz YXSMEOOOJNAPAW-UHFFFAOYSA-N 1 2 244.338 1.933 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCCC1)C2 ZINC000336420180 387251391 /nfs/dbraw/zinc/25/13/91/387251391.db2.gz YXSMEOOOJNAPAW-UHFFFAOYSA-N 1 2 244.338 1.933 20 0 BDADLO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cscn1 ZINC000161602432 387251588 /nfs/dbraw/zinc/25/15/88/387251588.db2.gz UZRSPWNNQZYIAW-SFYZADRCSA-N 1 2 248.373 1.227 20 0 BDADLO CC(C)c1nc(N2CC[C@](C)(C(N)=O)C2)cc[nH+]1 ZINC000360256376 387252263 /nfs/dbraw/zinc/25/22/63/387252263.db2.gz GATMMGOKOWTEFL-ZDUSSCGKSA-N 1 2 248.330 1.302 20 0 BDADLO C[C@@H](C(N)=O)[NH+]1CC(Cc2ccccc2F)C1 ZINC000371346750 387198470 /nfs/dbraw/zinc/19/84/70/387198470.db2.gz ZIMJRLRTPDULFE-VIFPVBQESA-N 1 2 236.290 1.174 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000571923652 387198757 /nfs/dbraw/zinc/19/87/57/387198757.db2.gz XQGWBYZNCSKBDJ-QJPTWQEYSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc(N(C)CCCO)c2c([nH+]1)CCCC2 ZINC000514907945 387310791 /nfs/dbraw/zinc/31/07/91/387310791.db2.gz IHACBFVEMOESKG-UHFFFAOYSA-N 1 2 235.331 1.482 20 0 BDADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCCO ZINC000303090908 387315159 /nfs/dbraw/zinc/31/51/59/387315159.db2.gz CLTREYHPCBFFBW-SNVBAGLBSA-N 1 2 249.314 1.211 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)ns1 ZINC000336424289 387255173 /nfs/dbraw/zinc/25/51/73/387255173.db2.gz FOCQSHCSJMSXAT-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO CCc1nnc(CNc2cccc[nH+]2)[nH]1 ZINC000392674396 387269853 /nfs/dbraw/zinc/26/98/53/387269853.db2.gz NLPQVVYOZHTUTA-UHFFFAOYSA-N 1 2 203.249 1.374 20 0 BDADLO CSC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000514733519 387282735 /nfs/dbraw/zinc/28/27/35/387282735.db2.gz KNCCCIGHPOVJBQ-NXEZZACHSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC000514738050 387284014 /nfs/dbraw/zinc/28/40/14/387284014.db2.gz DFWMRXZLJRNPHO-VHSXEESVSA-N 1 2 247.302 1.435 20 0 BDADLO CCOC[C@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000360464922 387291477 /nfs/dbraw/zinc/29/14/77/387291477.db2.gz CNFBQVBWWPXATL-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000353909179 387296594 /nfs/dbraw/zinc/29/65/94/387296594.db2.gz NDUPNYTWSHZJQX-UHFFFAOYSA-N 1 2 207.277 1.462 20 0 BDADLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000353909179 387296602 /nfs/dbraw/zinc/29/66/02/387296602.db2.gz NDUPNYTWSHZJQX-UHFFFAOYSA-N 1 2 207.277 1.462 20 0 BDADLO COC[C@@](C)([NH2+]CC1CCCCC1)C(=O)OC ZINC000121130779 387300712 /nfs/dbraw/zinc/30/07/12/387300712.db2.gz LSVKMKMNEVQZPC-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C2CC2)no1 ZINC000372455999 387304410 /nfs/dbraw/zinc/30/44/10/387304410.db2.gz RBENROHQXWTARE-AOOOYVTPSA-N 1 2 247.298 1.643 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C2CC2)no1 ZINC000372455999 387304419 /nfs/dbraw/zinc/30/44/19/387304419.db2.gz RBENROHQXWTARE-AOOOYVTPSA-N 1 2 247.298 1.643 20 0 BDADLO COC[C@@](C)([NH2+]CCC1CCCC1)C(=O)OC ZINC000121184592 387307645 /nfs/dbraw/zinc/30/76/45/387307645.db2.gz YOWKBIIUPULPTR-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO CCc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)ccn1C ZINC000354277317 387354016 /nfs/dbraw/zinc/35/40/16/387354016.db2.gz DSCMERAAMBKSJO-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336532219 387355666 /nfs/dbraw/zinc/35/56/66/387355666.db2.gz GFNJCYGWDFIONZ-IUCAKERBSA-N 1 2 223.276 1.108 20 0 BDADLO C[C@@H](CF)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000287129082 387377749 /nfs/dbraw/zinc/37/77/49/387377749.db2.gz GPWXXFPWCFFMSB-WPRPVWTQSA-N 1 2 210.252 1.161 20 0 BDADLO COCC[N@H+](Cc1ccco1)Cc1cnccn1 ZINC000514999551 387323225 /nfs/dbraw/zinc/32/32/25/387323225.db2.gz YUUHAVOBKWLDRF-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO COCC[N@@H+](Cc1ccco1)Cc1cnccn1 ZINC000514999551 387323230 /nfs/dbraw/zinc/32/32/30/387323230.db2.gz YUUHAVOBKWLDRF-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO Cc1ccc(F)cc1C[NH+]1CC(n2ccnn2)C1 ZINC000336512204 387335603 /nfs/dbraw/zinc/33/56/03/387335603.db2.gz ACOQOWZGIWCQNU-UHFFFAOYSA-N 1 2 246.289 1.783 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000336511169 387336325 /nfs/dbraw/zinc/33/63/25/387336325.db2.gz MMBCPZYRWMEWOM-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000336511169 387336330 /nfs/dbraw/zinc/33/63/30/387336330.db2.gz MMBCPZYRWMEWOM-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1nccs1 ZINC000290075669 387336826 /nfs/dbraw/zinc/33/68/26/387336826.db2.gz YQKDUMDQJPGLRO-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1nccs1 ZINC000290075669 387336836 /nfs/dbraw/zinc/33/68/36/387336836.db2.gz YQKDUMDQJPGLRO-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO CC(C)n1cc(CNc2cccc[nH+]2)nn1 ZINC000286717234 387339920 /nfs/dbraw/zinc/33/99/20/387339920.db2.gz DVSWFZUFWDEKMC-UHFFFAOYSA-N 1 2 217.276 1.866 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000373041790 387342473 /nfs/dbraw/zinc/34/24/73/387342473.db2.gz HLBBLBOTHNLUGE-GFCCVEGCSA-N 1 2 247.342 1.926 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cn1 ZINC000121460896 387353816 /nfs/dbraw/zinc/35/38/16/387353816.db2.gz INOZKDRWBHAOEG-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)cn1 ZINC000121460896 387353820 /nfs/dbraw/zinc/35/38/20/387353820.db2.gz INOZKDRWBHAOEG-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000374130491 387423926 /nfs/dbraw/zinc/42/39/26/387423926.db2.gz QSRDLFPQNBFXTR-WDEREUQCSA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000374130491 387423931 /nfs/dbraw/zinc/42/39/31/387423931.db2.gz QSRDLFPQNBFXTR-WDEREUQCSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3cccnc3C)C2)c1 ZINC000361255788 387426143 /nfs/dbraw/zinc/42/61/43/387426143.db2.gz VLCZWCPNSROERR-UHFFFAOYSA-N 1 2 242.326 1.952 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CC1(F)F ZINC000421747870 387431811 /nfs/dbraw/zinc/43/18/11/387431811.db2.gz DCTSYNMYQOUSRD-WPRPVWTQSA-N 1 2 243.257 1.433 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361323561 387439417 /nfs/dbraw/zinc/43/94/17/387439417.db2.gz HPLSZEPXZUVLDH-VXGBXAGGSA-N 1 2 243.314 1.198 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361323561 387439423 /nfs/dbraw/zinc/43/94/23/387439423.db2.gz HPLSZEPXZUVLDH-VXGBXAGGSA-N 1 2 243.314 1.198 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H](C2CC2)C1 ZINC000374306319 387441049 /nfs/dbraw/zinc/44/10/49/387441049.db2.gz DBUHDPNBJLLMEU-GFCCVEGCSA-N 1 2 233.315 1.532 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1C[C@@H](C)CC(C)C ZINC000304152411 387443004 /nfs/dbraw/zinc/44/30/04/387443004.db2.gz DCQCRCXFAUVISG-NWDGAFQWSA-N 1 2 243.347 1.542 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1C[C@@H](C)CC(C)C ZINC000304152411 387443008 /nfs/dbraw/zinc/44/30/08/387443008.db2.gz DCQCRCXFAUVISG-NWDGAFQWSA-N 1 2 243.347 1.542 20 0 BDADLO Cc1ccc(CN2CCc3c([nH+]cn3C)C2)o1 ZINC000374420130 387452491 /nfs/dbraw/zinc/45/24/91/387452491.db2.gz KMJRWQLTVTVZSE-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032687367 387386692 /nfs/dbraw/zinc/38/66/92/387386692.db2.gz RBFQNJMDACQESZ-ONGXEEELSA-N 1 2 233.315 1.420 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032687364 387387226 /nfs/dbraw/zinc/38/72/26/387387226.db2.gz RBFQNJMDACQESZ-KOLCDFICSA-N 1 2 233.315 1.420 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C(C)(C)C)n1 ZINC000336561900 387389708 /nfs/dbraw/zinc/38/97/08/387389708.db2.gz LOZPEQISOCPWHE-UHFFFAOYSA-N 1 2 220.276 1.691 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000121641756 387391067 /nfs/dbraw/zinc/39/10/67/387391067.db2.gz OUHAYGWCYDHEDF-CQSZACIVSA-N 1 2 249.310 1.745 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000121641756 387391068 /nfs/dbraw/zinc/39/10/68/387391068.db2.gz OUHAYGWCYDHEDF-CQSZACIVSA-N 1 2 249.310 1.745 20 0 BDADLO Cc1ccnc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC000361023558 387393039 /nfs/dbraw/zinc/39/30/39/387393039.db2.gz XKHBCRRXGGIJLO-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1cncc(F)c1 ZINC000361132646 387402801 /nfs/dbraw/zinc/40/28/01/387402801.db2.gz QZVNKJNUQXEUIX-QMMMGPOBSA-N 1 2 247.277 1.274 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)o1 ZINC000361416401 387460573 /nfs/dbraw/zinc/46/05/73/387460573.db2.gz RWKQCEGZIGULBK-VIFPVBQESA-N 1 2 246.257 1.433 20 0 BDADLO Cc1cnc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)o1 ZINC000361416401 387460578 /nfs/dbraw/zinc/46/05/78/387460578.db2.gz RWKQCEGZIGULBK-VIFPVBQESA-N 1 2 246.257 1.433 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn2cccc(F)c2n1 ZINC000646235262 387404468 /nfs/dbraw/zinc/40/44/68/387404468.db2.gz DMJHKIBWHURGGQ-NSHDSACASA-N 1 2 249.289 1.694 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn2cccc(F)c2n1 ZINC000646235262 387404473 /nfs/dbraw/zinc/40/44/73/387404473.db2.gz DMJHKIBWHURGGQ-NSHDSACASA-N 1 2 249.289 1.694 20 0 BDADLO Cc1ccc(CCC[NH2+]CC(F)(F)CO)cn1 ZINC000354628680 387406634 /nfs/dbraw/zinc/40/66/34/387406634.db2.gz BDHDZYMUDBRBAY-UHFFFAOYSA-N 1 2 244.285 1.540 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423757387 387411396 /nfs/dbraw/zinc/41/13/96/387411396.db2.gz DCSCUQWNYCSVMR-PSASIEDQSA-N 1 2 241.360 1.694 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)no1 ZINC000303987285 387419805 /nfs/dbraw/zinc/41/98/05/387419805.db2.gz JEUWFQCDJKSUJP-PSASIEDQSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)no1 ZINC000303987285 387419808 /nfs/dbraw/zinc/41/98/08/387419808.db2.gz JEUWFQCDJKSUJP-PSASIEDQSA-N 1 2 225.292 1.113 20 0 BDADLO CCOCCO[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000355228949 387502389 /nfs/dbraw/zinc/50/23/89/387502389.db2.gz XFYNITZKTFEOBG-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO CCOCCO[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000355228949 387502390 /nfs/dbraw/zinc/50/23/90/387502390.db2.gz XFYNITZKTFEOBG-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO Cc1cc(CNC(=O)[C@H](O)C2CCC2)cc(C)[nH+]1 ZINC000421918962 387503551 /nfs/dbraw/zinc/50/35/51/387503551.db2.gz QAUVRPCALXQRKU-CYBMUJFWSA-N 1 2 248.326 1.476 20 0 BDADLO c1cnc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000572456823 387507480 /nfs/dbraw/zinc/50/74/80/387507480.db2.gz JZZNTFZEUJFCOQ-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO c1cnc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000572456823 387507487 /nfs/dbraw/zinc/50/74/87/387507487.db2.gz JZZNTFZEUJFCOQ-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO C[C@H](CC(=O)N1CCC(=O)CC1)n1cc[nH+]c1 ZINC000516655272 387508201 /nfs/dbraw/zinc/50/82/01/387508201.db2.gz VEFAMQIPAMQRKE-SNVBAGLBSA-N 1 2 235.287 1.026 20 0 BDADLO C[N@@H+](Cc1nnnn1C(C)(C)C)CC1CC1 ZINC000361630272 387512467 /nfs/dbraw/zinc/51/24/67/387512467.db2.gz CYAAZHFFYRSWKI-UHFFFAOYSA-N 1 2 223.324 1.270 20 0 BDADLO C[N@H+](Cc1nnnn1C(C)(C)C)CC1CC1 ZINC000361630272 387512474 /nfs/dbraw/zinc/51/24/74/387512474.db2.gz CYAAZHFFYRSWKI-UHFFFAOYSA-N 1 2 223.324 1.270 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCO[C@H]1CCCCO1 ZINC000361646910 387516438 /nfs/dbraw/zinc/51/64/38/387516438.db2.gz WQEZQICZPLDHOZ-QWRGUYRKSA-N 1 2 245.319 1.023 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000361646910 387516441 /nfs/dbraw/zinc/51/64/41/387516441.db2.gz WQEZQICZPLDHOZ-QWRGUYRKSA-N 1 2 245.319 1.023 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1CC1=CCCOC1 ZINC000361655975 387518668 /nfs/dbraw/zinc/51/86/68/387518668.db2.gz RDLFERNEANEGCT-JTQLQIEISA-N 1 2 234.303 1.001 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1CC1=CCCOC1 ZINC000361655975 387518670 /nfs/dbraw/zinc/51/86/70/387518670.db2.gz RDLFERNEANEGCT-JTQLQIEISA-N 1 2 234.303 1.001 20 0 BDADLO CCCn1cc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000355317499 387519980 /nfs/dbraw/zinc/51/99/80/387519980.db2.gz PJWHIVBEOLUPAN-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO COc1c(O)cccc1C[NH2+]Cc1ccn(C)n1 ZINC000352824083 387520988 /nfs/dbraw/zinc/52/09/88/387520988.db2.gz FQPGJPFKFBBYNY-UHFFFAOYSA-N 1 2 247.298 1.424 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000361696867 387522311 /nfs/dbraw/zinc/52/23/11/387522311.db2.gz SZVBYPUTHGBVGB-MXWKQRLJSA-N 1 2 233.315 1.740 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000192725602 387527636 /nfs/dbraw/zinc/52/76/36/387527636.db2.gz XPMLSOJSQLKOAI-QMMMGPOBSA-N 1 2 242.348 1.073 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000192725602 387527640 /nfs/dbraw/zinc/52/76/40/387527640.db2.gz XPMLSOJSQLKOAI-QMMMGPOBSA-N 1 2 242.348 1.073 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cn[nH]c1 ZINC000361749426 387528414 /nfs/dbraw/zinc/52/84/14/387528414.db2.gz DYOAKOJNZLASKO-HTQZYQBOSA-N 1 2 247.306 1.143 20 0 BDADLO CO[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000397082298 387536304 /nfs/dbraw/zinc/53/63/04/387536304.db2.gz GSHQAXHIJSTQIE-JTQLQIEISA-N 1 2 222.288 1.350 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000310705818 387539099 /nfs/dbraw/zinc/53/90/99/387539099.db2.gz IARPBEPLABDGRV-CYBMUJFWSA-N 1 2 247.346 1.729 20 0 BDADLO Cn1cc(N2CC[C@H](Nc3cccc[nH+]3)C2)cn1 ZINC000361832314 387541128 /nfs/dbraw/zinc/54/11/28/387541128.db2.gz XGLUFVJQDZQDOR-NSHDSACASA-N 1 2 243.314 1.506 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352761393 387466848 /nfs/dbraw/zinc/46/68/48/387466848.db2.gz TZPVDFDXXWRNPA-ABAIWWIYSA-N 1 2 233.377 1.256 20 0 BDADLO CCCCOCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352761393 387466852 /nfs/dbraw/zinc/46/68/52/387466852.db2.gz TZPVDFDXXWRNPA-ABAIWWIYSA-N 1 2 233.377 1.256 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CN(C)C(=O)[C@@H]1C ZINC000648075017 387472275 /nfs/dbraw/zinc/47/22/75/387472275.db2.gz SLGRKPVJLNOPML-JTQLQIEISA-N 1 2 236.319 1.084 20 0 BDADLO CC(C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336621266 387476274 /nfs/dbraw/zinc/47/62/74/387476274.db2.gz GBCKNEYLKMIBDY-SECBINFHSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336621266 387476278 /nfs/dbraw/zinc/47/62/78/387476278.db2.gz GBCKNEYLKMIBDY-SECBINFHSA-N 1 2 221.304 1.429 20 0 BDADLO COC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(=O)OC ZINC000355098469 387479654 /nfs/dbraw/zinc/47/96/54/387479654.db2.gz OVLQBUQPJLQGHB-WOPDTQHZSA-N 1 2 243.347 1.590 20 0 BDADLO Cn1cc(C[NH2+][C@H]2COc3cccc(F)c32)cn1 ZINC000374677683 387480956 /nfs/dbraw/zinc/48/09/56/387480956.db2.gz JQKMYMAYVOPXGH-NSHDSACASA-N 1 2 247.273 1.783 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000648504950 387484227 /nfs/dbraw/zinc/48/42/27/387484227.db2.gz ZQWRJNVBSMQTHL-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000648504950 387484230 /nfs/dbraw/zinc/48/42/30/387484230.db2.gz ZQWRJNVBSMQTHL-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000361548470 387485138 /nfs/dbraw/zinc/48/51/38/387485138.db2.gz KDMQMPSIQQBJQP-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000361548470 387485144 /nfs/dbraw/zinc/48/51/44/387485144.db2.gz KDMQMPSIQQBJQP-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000421916129 387487441 /nfs/dbraw/zinc/48/74/41/387487441.db2.gz NRDIOQHCSGMDRP-MNOVXSKESA-N 1 2 235.331 1.608 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000374829119 387491480 /nfs/dbraw/zinc/49/14/80/387491480.db2.gz SAGVDXHMMCYBKU-SNVBAGLBSA-N 1 2 237.303 1.448 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000374829119 387491484 /nfs/dbraw/zinc/49/14/84/387491484.db2.gz SAGVDXHMMCYBKU-SNVBAGLBSA-N 1 2 237.303 1.448 20 0 BDADLO CCc1cccc(F)c1C[N@H+](CC)CC(N)=O ZINC000355170006 387492294 /nfs/dbraw/zinc/49/22/94/387492294.db2.gz VTEYSPIULCRURX-UHFFFAOYSA-N 1 2 238.306 1.695 20 0 BDADLO CCc1cccc(F)c1C[N@@H+](CC)CC(N)=O ZINC000355170006 387492298 /nfs/dbraw/zinc/49/22/98/387492298.db2.gz VTEYSPIULCRURX-UHFFFAOYSA-N 1 2 238.306 1.695 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374819467 387492871 /nfs/dbraw/zinc/49/28/71/387492871.db2.gz NPOYCMFTOXYPMG-OLZOCXBDSA-N 1 2 247.294 1.241 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374819467 387492874 /nfs/dbraw/zinc/49/28/74/387492874.db2.gz NPOYCMFTOXYPMG-OLZOCXBDSA-N 1 2 247.294 1.241 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1COc2ccccc21)C(=O)OC ZINC000336790084 387582006 /nfs/dbraw/zinc/58/20/06/387582006.db2.gz VVYGDIMBPMLKOH-JQWIXIFHSA-N 1 2 249.310 1.704 20 0 BDADLO CCC[N@H+](CC(=O)OCC)CC1(F)CC1 ZINC000527509748 387587480 /nfs/dbraw/zinc/58/74/80/387587480.db2.gz CJILHIUKEVEVDG-UHFFFAOYSA-N 1 2 217.284 1.764 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)CC1(F)CC1 ZINC000527509748 387587484 /nfs/dbraw/zinc/58/74/84/387587484.db2.gz CJILHIUKEVEVDG-UHFFFAOYSA-N 1 2 217.284 1.764 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC[C@@H]2C)no1 ZINC000362237977 387587739 /nfs/dbraw/zinc/58/77/39/387587739.db2.gz PSNLZWMVOCQTML-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC[C@@H]2C)no1 ZINC000362237977 387587742 /nfs/dbraw/zinc/58/77/42/387587742.db2.gz PSNLZWMVOCQTML-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ccn(C)n2)o1 ZINC000124691258 387628605 /nfs/dbraw/zinc/62/86/05/387628605.db2.gz GELRVSKGKQUJOD-UHFFFAOYSA-N 1 2 219.288 1.865 20 0 BDADLO COC1(C)C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000362324621 387597342 /nfs/dbraw/zinc/59/73/42/387597342.db2.gz PCCDJXIGWABDGS-UHFFFAOYSA-N 1 2 237.347 1.859 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cc2nnnn2C2CC2)C1 ZINC000430265861 387604005 /nfs/dbraw/zinc/60/40/05/387604005.db2.gz WLLXARFLMXZOGQ-VIFPVBQESA-N 1 2 233.319 1.406 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000430265861 387604011 /nfs/dbraw/zinc/60/40/11/387604011.db2.gz WLLXARFLMXZOGQ-VIFPVBQESA-N 1 2 233.319 1.406 20 0 BDADLO CCN(C)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000376166783 387612709 /nfs/dbraw/zinc/61/27/09/387612709.db2.gz NFWXCIJALMSISR-SNVBAGLBSA-N 1 2 236.319 1.025 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000376166783 387612713 /nfs/dbraw/zinc/61/27/13/387612713.db2.gz NFWXCIJALMSISR-SNVBAGLBSA-N 1 2 236.319 1.025 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000376166783 387612716 /nfs/dbraw/zinc/61/27/16/387612716.db2.gz NFWXCIJALMSISR-SNVBAGLBSA-N 1 2 236.319 1.025 20 0 BDADLO COC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000362467217 387616040 /nfs/dbraw/zinc/61/60/40/387616040.db2.gz SAFYQFVHXHTBHA-UHFFFAOYSA-N 1 2 247.294 1.654 20 0 BDADLO COC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000362467217 387616046 /nfs/dbraw/zinc/61/60/46/387616046.db2.gz SAFYQFVHXHTBHA-UHFFFAOYSA-N 1 2 247.294 1.654 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncc(C)s1)CC2 ZINC000375525544 387548456 /nfs/dbraw/zinc/54/84/56/387548456.db2.gz MDZRJIFEFWCOIG-UHFFFAOYSA-N 1 2 234.328 1.977 20 0 BDADLO COC1(CNc2[nH+]c(C)nc3[nH]ccc32)CCC1 ZINC000355565907 387551757 /nfs/dbraw/zinc/55/17/57/387551757.db2.gz MNZKINZGHJPOLU-UHFFFAOYSA-N 1 2 246.314 1.669 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)CCn1cc[nH+]c1 ZINC000362000357 387559748 /nfs/dbraw/zinc/55/97/48/387559748.db2.gz BTMBDIFMQUNJIB-MRVPVSSYSA-N 1 2 249.236 1.730 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2ccn(C)n2)o1 ZINC000355661482 387563457 /nfs/dbraw/zinc/56/34/57/387563457.db2.gz PQLKIZQSVGNAQN-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2ccn(C)n2)o1 ZINC000355661482 387563463 /nfs/dbraw/zinc/56/34/63/387563463.db2.gz PQLKIZQSVGNAQN-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362088605 387570702 /nfs/dbraw/zinc/57/07/02/387570702.db2.gz GCYKZPKPIAVBCF-UWVGGRQHSA-N 1 2 239.319 1.253 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362088605 387570706 /nfs/dbraw/zinc/57/07/06/387570706.db2.gz GCYKZPKPIAVBCF-UWVGGRQHSA-N 1 2 239.319 1.253 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362092018 387571343 /nfs/dbraw/zinc/57/13/43/387571343.db2.gz ZYCSYPRRVOYYBM-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362092018 387571347 /nfs/dbraw/zinc/57/13/47/387571347.db2.gz ZYCSYPRRVOYYBM-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccnc(C)c2)CCO1 ZINC000527536336 387631953 /nfs/dbraw/zinc/63/19/53/387631953.db2.gz XMWWLFAQPUMXEG-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccnc(C)c2)CCO1 ZINC000527536336 387631957 /nfs/dbraw/zinc/63/19/57/387631957.db2.gz XMWWLFAQPUMXEG-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CCC[C@@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OCC ZINC000124855135 387633063 /nfs/dbraw/zinc/63/30/63/387633063.db2.gz IEQBFLDBSDHFDS-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362574321 387633192 /nfs/dbraw/zinc/63/31/92/387633192.db2.gz CXIGEMFSGZMCOZ-NEPJUHHUSA-N 1 2 239.315 1.049 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362574321 387633195 /nfs/dbraw/zinc/63/31/95/387633195.db2.gz CXIGEMFSGZMCOZ-NEPJUHHUSA-N 1 2 239.315 1.049 20 0 BDADLO Cn1cc[nH+]c1CN=c1[nH]c2c(cccc2F)o1 ZINC000362582909 387634612 /nfs/dbraw/zinc/63/46/12/387634612.db2.gz DGYBUCIIDNLBQO-UHFFFAOYSA-N 1 2 246.245 1.734 20 0 BDADLO CC(C)=CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367240507 387696716 /nfs/dbraw/zinc/69/67/16/387696716.db2.gz WXMNCEZVACANGG-ZDUSSCGKSA-N 1 2 245.326 1.521 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCC12CC2 ZINC000527643029 387652521 /nfs/dbraw/zinc/65/25/21/387652521.db2.gz DIVVGXCOFXLROW-LBPRGKRZSA-N 1 2 247.342 1.970 20 0 BDADLO CC[C@H](NC(=O)c1ccoc1)c1[nH]cc[nH+]1 ZINC000125343457 387653428 /nfs/dbraw/zinc/65/34/28/387653428.db2.gz XTLUSWXDLCFCOW-VIFPVBQESA-N 1 2 219.244 1.884 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)n1C ZINC000125392132 387654559 /nfs/dbraw/zinc/65/45/59/387654559.db2.gz FMPPHOWSLQHFLO-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1C ZINC000125392132 387654562 /nfs/dbraw/zinc/65/45/62/387654562.db2.gz FMPPHOWSLQHFLO-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccnc(C)c2)[nH]1 ZINC000527689073 387654640 /nfs/dbraw/zinc/65/46/40/387654640.db2.gz VPIKHFXRWADEBK-JTQLQIEISA-N 1 2 245.330 1.921 20 0 BDADLO CC[C@@H](NC(=O)CCCOC)c1[nH]cc[nH+]1 ZINC000125340837 387654919 /nfs/dbraw/zinc/65/49/19/387654919.db2.gz HKIJUAZSUPBRCB-SECBINFHSA-N 1 2 225.292 1.404 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2c(C)nn(C)c2C)n1 ZINC000356412413 387655911 /nfs/dbraw/zinc/65/59/11/387655911.db2.gz CNPYPKXZTNXNHR-QMMMGPOBSA-N 1 2 249.318 1.579 20 0 BDADLO COCc1nocc1C(=O)Nc1cc[nH+]cc1C ZINC000362785071 387657657 /nfs/dbraw/zinc/65/76/57/387657657.db2.gz ICVONEYQKPRZHR-UHFFFAOYSA-N 1 2 247.254 1.199 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@H](CC)C2)cn1 ZINC000125561041 387661433 /nfs/dbraw/zinc/66/14/33/387661433.db2.gz JVITWAQQPLLFMG-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@H](CC)C2)cn1 ZINC000125561041 387661439 /nfs/dbraw/zinc/66/14/39/387661439.db2.gz JVITWAQQPLLFMG-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO O=C(C1CCC1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367236482 387665953 /nfs/dbraw/zinc/66/59/53/387665953.db2.gz FVWYWOKEHMUMFA-ZDUSSCGKSA-N 1 2 245.326 1.355 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C1CCOCC1 ZINC000422778506 387675757 /nfs/dbraw/zinc/67/57/57/387675757.db2.gz AQXWYXUTOBRALP-SECBINFHSA-N 1 2 249.314 1.495 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000440704914 387675861 /nfs/dbraw/zinc/67/58/61/387675861.db2.gz XLIHARFZKYGPKN-IUCAKERBSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000440704914 387675866 /nfs/dbraw/zinc/67/58/66/387675866.db2.gz XLIHARFZKYGPKN-IUCAKERBSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC000440705989 387675883 /nfs/dbraw/zinc/67/58/83/387675883.db2.gz QVBKYQWMCITYLU-JTQLQIEISA-N 1 2 240.326 1.965 20 0 BDADLO CC[C@H](F)C[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC000440705989 387675886 /nfs/dbraw/zinc/67/58/86/387675886.db2.gz QVBKYQWMCITYLU-JTQLQIEISA-N 1 2 240.326 1.965 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000356606376 387681273 /nfs/dbraw/zinc/68/12/73/387681273.db2.gz ZACQZPMCFZDEHQ-BDAKNGLRSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000356606376 387681280 /nfs/dbraw/zinc/68/12/80/387681280.db2.gz ZACQZPMCFZDEHQ-BDAKNGLRSA-N 1 2 209.293 1.708 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1Cc1ncnn1CCF ZINC000440713913 387681968 /nfs/dbraw/zinc/68/19/68/387681968.db2.gz SSIPQBWRCHHYRR-SNVBAGLBSA-N 1 2 226.299 1.622 20 0 BDADLO C[C@@H]1CCCC[N@H+]1Cc1ncnn1CCF ZINC000440713913 387681970 /nfs/dbraw/zinc/68/19/70/387681970.db2.gz SSIPQBWRCHHYRR-SNVBAGLBSA-N 1 2 226.299 1.622 20 0 BDADLO CCn1ncc(CNCc2c[nH+]cn2C(C)C)n1 ZINC000527735287 387682314 /nfs/dbraw/zinc/68/23/14/387682314.db2.gz MCJCAOBSNLMPEI-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CC[C@H](F)C[N@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000440714375 387682360 /nfs/dbraw/zinc/68/23/60/387682360.db2.gz PAXSTWAGFSSTOF-UWVGGRQHSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@H](F)C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000440714375 387682364 /nfs/dbraw/zinc/68/23/64/387682364.db2.gz PAXSTWAGFSSTOF-UWVGGRQHSA-N 1 2 239.356 1.490 20 0 BDADLO COC[C@H](O)CCNc1cc[nH+]c(C(C)C)n1 ZINC000123329193 387684791 /nfs/dbraw/zinc/68/47/91/387684791.db2.gz ZEGDCLLBZPKGCX-SNVBAGLBSA-N 1 2 239.319 1.409 20 0 BDADLO Cc1nc(N2CC[C@H](CC(N)=O)C2)c(C)c(C)[nH+]1 ZINC000377141614 387691741 /nfs/dbraw/zinc/69/17/41/387691741.db2.gz OUHWALVZEUHZQC-LLVKDONJSA-N 1 2 248.330 1.104 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C)s2)[C@H](C)C1 ZINC000441346883 387750334 /nfs/dbraw/zinc/75/03/34/387750334.db2.gz LERISTFHFHJDRD-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)s2)[C@H](C)C1 ZINC000441346883 387750338 /nfs/dbraw/zinc/75/03/38/387750338.db2.gz LERISTFHFHJDRD-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)s2)[C@@H](C)C1 ZINC000441347158 387751234 /nfs/dbraw/zinc/75/12/34/387751234.db2.gz LERISTFHFHJDRD-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)s2)[C@@H](C)C1 ZINC000441347158 387751236 /nfs/dbraw/zinc/75/12/36/387751236.db2.gz LERISTFHFHJDRD-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)nc1 ZINC000441362879 387751273 /nfs/dbraw/zinc/75/12/73/387751273.db2.gz IEJSEEKNAREHEX-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@]23CCOC3)nc1 ZINC000441362879 387751276 /nfs/dbraw/zinc/75/12/76/387751276.db2.gz IEJSEEKNAREHEX-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cn1c[nH+]c(CNc2cccc3c2OCC3)c1 ZINC000527761496 387698687 /nfs/dbraw/zinc/69/86/87/387698687.db2.gz KCKXABIHDFUMBU-UHFFFAOYSA-N 1 2 229.283 1.967 20 0 BDADLO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccn[nH]1 ZINC000527766654 387701434 /nfs/dbraw/zinc/70/14/34/387701434.db2.gz PEVSPBRORNBOKE-KCJUWKMLSA-N 1 2 207.277 1.067 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000377219665 387702223 /nfs/dbraw/zinc/70/22/23/387702223.db2.gz BINWALWSXQTBFN-NEPJUHHUSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000377219665 387702228 /nfs/dbraw/zinc/70/22/28/387702228.db2.gz BINWALWSXQTBFN-NEPJUHHUSA-N 1 2 240.347 1.012 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](CC)C(=O)OC ZINC000452033073 387705831 /nfs/dbraw/zinc/70/58/31/387705831.db2.gz FLIWWEUDNAAAOZ-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO COc1cc[nH+]cc1CNc1cc(C)ncn1 ZINC000431432353 387710874 /nfs/dbraw/zinc/71/08/74/387710874.db2.gz RBWAXZNVTVTUMV-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000527783351 387712772 /nfs/dbraw/zinc/71/27/72/387712772.db2.gz JYSOCQCZJBIDBW-MNOVXSKESA-N 1 2 209.293 1.375 20 0 BDADLO CN(CC1CC1)C(=O)COc1cc[nH+]cc1 ZINC000431485871 387713454 /nfs/dbraw/zinc/71/34/54/387713454.db2.gz VSBZXUPBCGEQGR-UHFFFAOYSA-N 1 2 220.272 1.329 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCOCC(F)(F)F ZINC000115575093 387724352 /nfs/dbraw/zinc/72/43/52/387724352.db2.gz DNHIQYBXXQRXAD-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCOCC(F)(F)F ZINC000115575093 387724359 /nfs/dbraw/zinc/72/43/59/387724359.db2.gz DNHIQYBXXQRXAD-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000527803843 387725802 /nfs/dbraw/zinc/72/58/02/387725802.db2.gz KSLFXAWWRBPRDK-GCWIYAPXSA-N 1 2 223.320 1.620 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@](CO)(C(C)C)C2)no1 ZINC000377639161 387734086 /nfs/dbraw/zinc/73/40/86/387734086.db2.gz BLPZOTWRRFQRCP-LBPRGKRZSA-N 1 2 239.319 1.218 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)no1 ZINC000377639161 387734090 /nfs/dbraw/zinc/73/40/90/387734090.db2.gz BLPZOTWRRFQRCP-LBPRGKRZSA-N 1 2 239.319 1.218 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188722217 387739270 /nfs/dbraw/zinc/73/92/70/387739270.db2.gz WAIHDTRKPQWLNB-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188722217 387739276 /nfs/dbraw/zinc/73/92/76/387739276.db2.gz WAIHDTRKPQWLNB-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC[C@@H]2C)o1 ZINC000367646741 387739404 /nfs/dbraw/zinc/73/94/04/387739404.db2.gz URFDZUSUPMZEOY-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC[C@@H]2C)o1 ZINC000367646741 387739409 /nfs/dbraw/zinc/73/94/09/387739409.db2.gz URFDZUSUPMZEOY-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO CCn1nncc1C[NH2+][C@H](C)c1cc(C)on1 ZINC000527911850 387764784 /nfs/dbraw/zinc/76/47/84/387764784.db2.gz CMTKVPWPRVRSJA-SECBINFHSA-N 1 2 235.291 1.445 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000378094869 387765163 /nfs/dbraw/zinc/76/51/63/387765163.db2.gz PBDDRAGXHYIQHF-QMTHXVAHSA-N 1 2 247.342 1.741 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CC(=O)N(C(C)C)C1 ZINC000527876225 387768211 /nfs/dbraw/zinc/76/82/11/387768211.db2.gz ISBHUYKKBAODCQ-JTQLQIEISA-N 1 2 249.314 1.511 20 0 BDADLO COc1ccc[nH+]c1N(C)CCn1cccn1 ZINC000527890056 387773856 /nfs/dbraw/zinc/77/38/56/387773856.db2.gz FRFMHAOYFFCMBS-UHFFFAOYSA-N 1 2 232.287 1.423 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC(c2ccccn2)CC1 ZINC000378260094 387774059 /nfs/dbraw/zinc/77/40/59/387774059.db2.gz OVQRLIDPVRISDY-CYBMUJFWSA-N 1 2 246.310 1.577 20 0 BDADLO COC[C@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000527890961 387774773 /nfs/dbraw/zinc/77/47/73/387774773.db2.gz CNHNPRFNQBXDHB-NSHDSACASA-N 1 2 236.315 1.953 20 0 BDADLO COc1ccc[nH+]c1N1CC(C)(OC)C1 ZINC000527942386 387780794 /nfs/dbraw/zinc/78/07/94/387780794.db2.gz CKAPFHUZGYOKJY-UHFFFAOYSA-N 1 2 208.261 1.315 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1[nH+]cccc1OC ZINC000527944548 387781615 /nfs/dbraw/zinc/78/16/15/387781615.db2.gz NVPZBVUERSOARH-NXEZZACHSA-N 1 2 249.314 1.417 20 0 BDADLO O=C(C1CCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378411615 387783439 /nfs/dbraw/zinc/78/34/39/387783439.db2.gz WELMJGPHUSVGKP-JTQLQIEISA-N 1 2 219.288 1.873 20 0 BDADLO COc1ccc[nH+]c1N(C)CC1CCOCC1 ZINC000527951750 387783616 /nfs/dbraw/zinc/78/36/16/387783616.db2.gz SNVMLXJVBOPKMF-UHFFFAOYSA-N 1 2 236.315 1.953 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000450477477 387784247 /nfs/dbraw/zinc/78/42/47/387784247.db2.gz BDQKGTCMFNTRCA-CYBMUJFWSA-N 1 2 228.299 1.622 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000450477477 387784248 /nfs/dbraw/zinc/78/42/48/387784248.db2.gz BDQKGTCMFNTRCA-CYBMUJFWSA-N 1 2 228.299 1.622 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000450477477 387784252 /nfs/dbraw/zinc/78/42/52/387784252.db2.gz BDQKGTCMFNTRCA-CYBMUJFWSA-N 1 2 228.299 1.622 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000450477477 387784254 /nfs/dbraw/zinc/78/42/54/387784254.db2.gz BDQKGTCMFNTRCA-CYBMUJFWSA-N 1 2 228.299 1.622 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000450477477 387784255 /nfs/dbraw/zinc/78/42/55/387784255.db2.gz BDQKGTCMFNTRCA-CYBMUJFWSA-N 1 2 228.299 1.622 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000450477477 387784258 /nfs/dbraw/zinc/78/42/58/387784258.db2.gz BDQKGTCMFNTRCA-CYBMUJFWSA-N 1 2 228.299 1.622 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@]2(CCOC2)C1 ZINC000527921698 387789013 /nfs/dbraw/zinc/78/90/13/387789013.db2.gz UEYMAAWRNASUNP-CYBMUJFWSA-N 1 2 234.299 1.707 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2c[nH]nc2C)n1 ZINC000527922949 387791798 /nfs/dbraw/zinc/79/17/98/387791798.db2.gz YZMNJZALWPJOIM-MRVPVSSYSA-N 1 2 234.307 1.180 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cccn1C)CC2 ZINC000378639253 387792472 /nfs/dbraw/zinc/79/24/72/387792472.db2.gz TWESUAWVVKBWHW-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cccn1C)CC2 ZINC000378639253 387792473 /nfs/dbraw/zinc/79/24/73/387792473.db2.gz TWESUAWVVKBWHW-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO C[NH+](C)Cc1nc(Cc2ccccc2)no1 ZINC000193552159 387795294 /nfs/dbraw/zinc/79/52/94/387795294.db2.gz REWBLRWKTLRIPL-UHFFFAOYSA-N 1 2 217.272 1.722 20 0 BDADLO C[C@H](CO)N(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000367815200 387757838 /nfs/dbraw/zinc/75/78/38/387757838.db2.gz PMYNSVVRKIIGSK-SNVBAGLBSA-N 1 2 232.287 1.084 20 0 BDADLO CCNC(=O)CN(C)c1[nH+]ccc2ccccc21 ZINC000527853693 387758464 /nfs/dbraw/zinc/75/84/64/387758464.db2.gz QIZSMGRXCYQTEZ-UHFFFAOYSA-N 1 2 243.310 1.807 20 0 BDADLO CSC1(CNc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000432843825 387832286 /nfs/dbraw/zinc/83/22/86/387832286.db2.gz UFKFVISSHAVOJG-UHFFFAOYSA-N 1 2 248.355 1.996 20 0 BDADLO Cc1cc(NCCC2CC(O)C2)nc(C(C)C)[nH+]1 ZINC000432852424 387834480 /nfs/dbraw/zinc/83/44/80/387834480.db2.gz NCJOAOHORZOTJS-UHFFFAOYSA-N 1 2 249.358 1.903 20 0 BDADLO CCC[C@H](C)C[N@H+](CCO)CC(F)F ZINC000194858314 387838910 /nfs/dbraw/zinc/83/89/10/387838910.db2.gz WRMHQFRMMNDVEE-VIFPVBQESA-N 1 2 209.280 1.982 20 0 BDADLO CCC[C@H](C)C[N@@H+](CCO)CC(F)F ZINC000194858314 387838911 /nfs/dbraw/zinc/83/89/11/387838911.db2.gz WRMHQFRMMNDVEE-VIFPVBQESA-N 1 2 209.280 1.982 20 0 BDADLO CCc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000157567248 387846943 /nfs/dbraw/zinc/84/69/43/387846943.db2.gz GDMFCKRVCYDKPU-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000442881236 387854457 /nfs/dbraw/zinc/85/44/57/387854457.db2.gz MCUMPLAQJJQKKY-PWSUYJOCSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000442881236 387854461 /nfs/dbraw/zinc/85/44/61/387854461.db2.gz MCUMPLAQJJQKKY-PWSUYJOCSA-N 1 2 229.320 1.439 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000423052828 387860077 /nfs/dbraw/zinc/86/00/77/387860077.db2.gz QNJFQIQNBGKKNW-SECBINFHSA-N 1 2 241.360 1.647 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000452573138 387861648 /nfs/dbraw/zinc/86/16/48/387861648.db2.gz VMIOFAPMWSHXIX-WOPDTQHZSA-N 1 2 247.342 1.955 20 0 BDADLO CC(C)COCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000151616312 387866025 /nfs/dbraw/zinc/86/60/25/387866025.db2.gz PDRAHYKHPHMINK-UHFFFAOYSA-N 1 2 237.303 1.665 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccn1 ZINC000235816609 387869070 /nfs/dbraw/zinc/86/90/70/387869070.db2.gz GAPMXEPXQZMINM-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)on1 ZINC000193964678 387870986 /nfs/dbraw/zinc/87/09/86/387870986.db2.gz QOVALVDNBWRXQC-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)on1 ZINC000193964678 387870989 /nfs/dbraw/zinc/87/09/89/387870989.db2.gz QOVALVDNBWRXQC-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ccc(N[C@H](C)CS(C)(=O)=O)c[nH+]1 ZINC000154263092 387897743 /nfs/dbraw/zinc/89/77/43/387897743.db2.gz GGKCNGBAXPDCOH-SECBINFHSA-N 1 2 228.317 1.235 20 0 BDADLO CCC[C@@H](CC)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423116586 387897838 /nfs/dbraw/zinc/89/78/38/387897838.db2.gz QMVGEYILUMPMBS-SCZZXKLOSA-N 1 2 241.360 1.838 20 0 BDADLO CC[C@](C)(CNC(=O)CCn1cc[nH+]c1)OC ZINC000452720552 387898108 /nfs/dbraw/zinc/89/81/08/387898108.db2.gz FTFPCZPWRDMERG-GFCCVEGCSA-N 1 2 239.319 1.205 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000163691903 387881190 /nfs/dbraw/zinc/88/11/90/387881190.db2.gz CTMDVYIQLYNTPD-SECBINFHSA-N 1 2 240.376 1.836 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000163691903 387881194 /nfs/dbraw/zinc/88/11/94/387881194.db2.gz CTMDVYIQLYNTPD-SECBINFHSA-N 1 2 240.376 1.836 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000195095507 387905519 /nfs/dbraw/zinc/90/55/19/387905519.db2.gz ZDSVVSLKAFIWOZ-GFCCVEGCSA-N 1 2 245.330 1.523 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000195095507 387905525 /nfs/dbraw/zinc/90/55/25/387905525.db2.gz ZDSVVSLKAFIWOZ-GFCCVEGCSA-N 1 2 245.330 1.523 20 0 BDADLO Cc1csc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000452743947 387906484 /nfs/dbraw/zinc/90/64/84/387906484.db2.gz LSGJBUQKKMVICH-UHFFFAOYSA-N 1 2 249.339 1.960 20 0 BDADLO COCCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000645781558 387907111 /nfs/dbraw/zinc/90/71/11/387907111.db2.gz ZOHUOZFXZQWTKS-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000645781558 387907116 /nfs/dbraw/zinc/90/71/16/387907116.db2.gz ZOHUOZFXZQWTKS-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000452765702 387909268 /nfs/dbraw/zinc/90/92/68/387909268.db2.gz LMECZPPYQTWBER-WOPDTQHZSA-N 1 2 247.342 1.608 20 0 BDADLO C[N@H+](CCC[C@H]1CCOC1)CC(F)F ZINC000645792380 387914861 /nfs/dbraw/zinc/91/48/61/387914861.db2.gz RFJHXUMQVCJGAK-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO C[N@@H+](CCC[C@H]1CCOC1)CC(F)F ZINC000645792380 387914862 /nfs/dbraw/zinc/91/48/62/387914862.db2.gz RFJHXUMQVCJGAK-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](CO)C(C)(C)C)no1 ZINC000444713989 387915442 /nfs/dbraw/zinc/91/54/42/387915442.db2.gz INHWVXBVUUYVNH-VIFPVBQESA-N 1 2 241.335 1.519 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)[C@@H](C)[C@H](C)O1 ZINC000438365009 387929272 /nfs/dbraw/zinc/92/92/72/387929272.db2.gz LRTCPHFKEPGZOB-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)[C@@H](C)[C@H](C)O1 ZINC000438365009 387929276 /nfs/dbraw/zinc/92/92/76/387929276.db2.gz LRTCPHFKEPGZOB-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)[C@H](C)O1 ZINC000438362212 387923936 /nfs/dbraw/zinc/92/39/36/387923936.db2.gz XACXNBBWFDOSHG-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)[C@@H](C)[C@H](C)O1 ZINC000438362212 387923940 /nfs/dbraw/zinc/92/39/40/387923940.db2.gz XACXNBBWFDOSHG-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)[C@@H](C)[C@H](C)O1 ZINC000438362212 387923944 /nfs/dbraw/zinc/92/39/44/387923944.db2.gz XACXNBBWFDOSHG-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)[C@@H](C)[C@@H](C)O1 ZINC000438365008 387928583 /nfs/dbraw/zinc/92/85/83/387928583.db2.gz LRTCPHFKEPGZOB-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)[C@@H](C)[C@@H](C)O1 ZINC000438365008 387928587 /nfs/dbraw/zinc/92/85/87/387928587.db2.gz LRTCPHFKEPGZOB-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)[C@H](C)[C@@H](C)O1 ZINC000438365006 387928858 /nfs/dbraw/zinc/92/88/58/387928858.db2.gz LRTCPHFKEPGZOB-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)[C@H](C)[C@@H](C)O1 ZINC000438365006 387928859 /nfs/dbraw/zinc/92/88/59/387928859.db2.gz LRTCPHFKEPGZOB-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO CC[C@@H](Cn1cncn1)Nc1ccc(C)[nH+]c1 ZINC000438841337 387958344 /nfs/dbraw/zinc/95/83/44/387958344.db2.gz KYLDPBSZRVWZIS-NSHDSACASA-N 1 2 231.303 1.872 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)C1CC1 ZINC000438853325 387958816 /nfs/dbraw/zinc/95/88/16/387958816.db2.gz OTLSCBWSPQKWOJ-IRCOFANPSA-N 1 2 239.315 1.095 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245737091 387978864 /nfs/dbraw/zinc/97/88/64/387978864.db2.gz LAVQHJZRPIAZLH-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245737091 387978867 /nfs/dbraw/zinc/97/88/67/387978867.db2.gz LAVQHJZRPIAZLH-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000245742606 387980750 /nfs/dbraw/zinc/98/07/50/387980750.db2.gz MCPBCDLOAVUSIW-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000245742606 387980753 /nfs/dbraw/zinc/98/07/53/387980753.db2.gz MCPBCDLOAVUSIW-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CC(=O)c1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000446048395 387988266 /nfs/dbraw/zinc/98/82/66/387988266.db2.gz VIEXWTIFCODUJZ-UHFFFAOYSA-N 1 2 247.254 1.478 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1C ZINC000423203491 387990133 /nfs/dbraw/zinc/99/01/33/387990133.db2.gz MXPBBIYZEUKLJT-XKSSXDPKSA-N 1 2 239.344 1.257 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446071279 387993504 /nfs/dbraw/zinc/99/35/04/387993504.db2.gz JCFQXWIAZZVFDK-SRVKXCTJSA-N 1 2 242.363 1.353 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446071279 387993507 /nfs/dbraw/zinc/99/35/07/387993507.db2.gz JCFQXWIAZZVFDK-SRVKXCTJSA-N 1 2 242.363 1.353 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446072453 387995253 /nfs/dbraw/zinc/99/52/53/387995253.db2.gz MMKHDCCFONSCSB-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446072453 387995256 /nfs/dbraw/zinc/99/52/56/387995256.db2.gz MMKHDCCFONSCSB-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446084818 387999784 /nfs/dbraw/zinc/99/97/84/387999784.db2.gz UTPFJBRYPWQQOM-BJDJZHNGSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446084818 387999788 /nfs/dbraw/zinc/99/97/88/387999788.db2.gz UTPFJBRYPWQQOM-BJDJZHNGSA-N 1 2 242.363 1.399 20 0 BDADLO Cc1ccc(CC(=O)NCCCn2cc[nH+]c2)o1 ZINC000533120994 387999964 /nfs/dbraw/zinc/99/99/64/387999964.db2.gz XCXXYKFKMAGYII-UHFFFAOYSA-N 1 2 247.298 1.534 20 0 BDADLO Cc1nc(C[N@@H+](CC(C)C)C2CC2)no1 ZINC000045944333 388003926 /nfs/dbraw/zinc/00/39/26/388003926.db2.gz CTDNZOCPUISDGH-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](CC(C)C)C2CC2)no1 ZINC000045944333 388003930 /nfs/dbraw/zinc/00/39/30/388003930.db2.gz CTDNZOCPUISDGH-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[NH+]1[C@H](C)C[C@H]1C ZINC000548754884 388009708 /nfs/dbraw/zinc/00/97/08/388009708.db2.gz UZXGPDHLLJCWQN-IWSPIJDZSA-N 1 2 221.308 1.552 20 0 BDADLO Cn1c[nH+]cc1Cn1nccc1-c1cccnc1 ZINC000439559255 388010177 /nfs/dbraw/zinc/01/01/77/388010177.db2.gz AZHPLUAPPLDJSZ-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@@H]2CCCS2)CC1 ZINC000082304284 388025437 /nfs/dbraw/zinc/02/54/37/388025437.db2.gz NPLFWEBIEPDQJP-JTQLQIEISA-N 1 2 228.361 1.046 20 0 BDADLO CC[C@H]1CC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000156772047 388032739 /nfs/dbraw/zinc/03/27/39/388032739.db2.gz FFYPJEJYFPQQKX-VIFPVBQESA-N 1 2 240.376 1.836 20 0 BDADLO CC[C@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000156772047 388032742 /nfs/dbraw/zinc/03/27/42/388032742.db2.gz FFYPJEJYFPQQKX-VIFPVBQESA-N 1 2 240.376 1.836 20 0 BDADLO CC[C@H](NC(=O)c1c(C)ccn1C)c1[nH]cc[nH+]1 ZINC000440308170 388039016 /nfs/dbraw/zinc/03/90/16/388039016.db2.gz XKZMHKKCVVIXKH-JTQLQIEISA-N 1 2 246.314 1.938 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000082791756 388041916 /nfs/dbraw/zinc/04/19/16/388041916.db2.gz ZCIHCKUKHOBIFW-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000082791756 388041920 /nfs/dbraw/zinc/04/19/20/388041920.db2.gz ZCIHCKUKHOBIFW-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO Cc1noc(C[N@@H+]2CCSC(C)(C)C2)n1 ZINC000083417028 388051533 /nfs/dbraw/zinc/05/15/33/388051533.db2.gz BYCNCBVLKHQCIB-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1noc(C[N@H+]2CCSC(C)(C)C2)n1 ZINC000083417028 388051535 /nfs/dbraw/zinc/05/15/35/388051535.db2.gz BYCNCBVLKHQCIB-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO C[C@@H](F)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000454333566 388114302 /nfs/dbraw/zinc/11/43/02/388114302.db2.gz DELAPTYPSJKUNT-NXEZZACHSA-N 1 2 242.298 1.319 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1c[nH+]ccc1OC ZINC000448835913 388114540 /nfs/dbraw/zinc/11/45/40/388114540.db2.gz NCBREUGZOSEAJW-MRVPVSSYSA-N 1 2 224.260 1.190 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)[C@H]1C ZINC000423281981 388063784 /nfs/dbraw/zinc/06/37/84/388063784.db2.gz VPNLCVAJWHMMJN-WEDXCCLWSA-N 1 2 239.344 1.400 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000440693598 388066312 /nfs/dbraw/zinc/06/63/12/388066312.db2.gz ORAHMOTUSZFXTL-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](F)C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000440693598 388066316 /nfs/dbraw/zinc/06/63/16/388066316.db2.gz ORAHMOTUSZFXTL-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cnns2)c[nH+]1 ZINC000454348657 388114821 /nfs/dbraw/zinc/11/48/21/388114821.db2.gz NTWYRJKJLSFQEJ-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO c1sc([C@H]2COCC[NH2+]2)nc1C1CC1 ZINC000084390919 388077957 /nfs/dbraw/zinc/07/79/57/388077957.db2.gz CUMCHDANMYZYBY-MRVPVSSYSA-N 1 2 210.302 1.681 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)C(C)(C)C2)[nH+]1 ZINC000447818265 388094894 /nfs/dbraw/zinc/09/48/94/388094894.db2.gz RSPKIUTXPMKFQQ-JTQLQIEISA-N 1 2 246.314 1.473 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@@](O)(CC)C1 ZINC000447877595 388099111 /nfs/dbraw/zinc/09/91/11/388099111.db2.gz IBEZWXYWPBBJQZ-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@@](O)(CC)C1 ZINC000447877595 388099117 /nfs/dbraw/zinc/09/91/17/388099117.db2.gz IBEZWXYWPBBJQZ-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CC[C@H](O)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000448857675 388115807 /nfs/dbraw/zinc/11/58/07/388115807.db2.gz RFSFOYWQNPTXKA-NSHDSACASA-N 1 2 247.298 1.742 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@@H]1C1CC1)CC2 ZINC000645972156 388107352 /nfs/dbraw/zinc/10/73/52/388107352.db2.gz ADBUVLFMDXYDCU-NEPJUHHUSA-N 1 2 245.326 1.580 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000440497314 388044994 /nfs/dbraw/zinc/04/49/94/388044994.db2.gz VAUIDCDQOIYENB-BFVZDQMLSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000440497314 388044996 /nfs/dbraw/zinc/04/49/96/388044996.db2.gz VAUIDCDQOIYENB-BFVZDQMLSA-N 1 2 221.341 1.577 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)n1 ZINC000440504456 388046858 /nfs/dbraw/zinc/04/68/58/388046858.db2.gz WYCRVWSWCAEBEE-JTQLQIEISA-N 1 2 237.351 1.468 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)n1 ZINC000440504456 388046861 /nfs/dbraw/zinc/04/68/61/388046861.db2.gz WYCRVWSWCAEBEE-JTQLQIEISA-N 1 2 237.351 1.468 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000440522956 388050480 /nfs/dbraw/zinc/05/04/80/388050480.db2.gz XGVUFAJKMMDZIE-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000440522956 388050482 /nfs/dbraw/zinc/05/04/82/388050482.db2.gz XGVUFAJKMMDZIE-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO COCCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000646260511 388172150 /nfs/dbraw/zinc/17/21/50/388172150.db2.gz NPDJRJSLSNBJOO-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO COCCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000646260511 388172151 /nfs/dbraw/zinc/17/21/51/388172151.db2.gz NPDJRJSLSNBJOO-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO c1n[nH]cc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000646295316 388177742 /nfs/dbraw/zinc/17/77/42/388177742.db2.gz JYFFWYLTBMADLL-QWHCGFSZSA-N 1 2 233.315 1.553 20 0 BDADLO c1n[nH]cc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000646295316 388177744 /nfs/dbraw/zinc/17/77/44/388177744.db2.gz JYFFWYLTBMADLL-QWHCGFSZSA-N 1 2 233.315 1.553 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C(N)=O)cs1)C(F)F ZINC000449362623 388182014 /nfs/dbraw/zinc/18/20/14/388182014.db2.gz NOPKWSSVQCPFSX-QMMMGPOBSA-N 1 2 248.298 1.980 20 0 BDADLO CC[C@@H]([NH2+]Cc1c(C)cnn1C)C(F)F ZINC000449365497 388183699 /nfs/dbraw/zinc/18/36/99/388183699.db2.gz WGVFGRDOWOPKCT-MRVPVSSYSA-N 1 2 217.263 1.862 20 0 BDADLO Oc1cccc(C[NH2+]C(CF)CF)c1 ZINC000449372323 388184719 /nfs/dbraw/zinc/18/47/19/388184719.db2.gz GGLJSFAENGHGJC-UHFFFAOYSA-N 1 2 201.216 1.789 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000448894567 388118881 /nfs/dbraw/zinc/11/88/81/388118881.db2.gz AXGDYPVVUJMDDH-GHMZBOCLSA-N 1 2 235.331 1.719 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC1(C)CC1 ZINC000454592550 388124423 /nfs/dbraw/zinc/12/44/23/388124423.db2.gz OFUHPYPMKHQMPZ-UHFFFAOYSA-N 1 2 236.319 1.502 20 0 BDADLO Cn1nnc(C[N@H+](C)CCC(C)(C)C)n1 ZINC000646028589 388127889 /nfs/dbraw/zinc/12/78/89/388127889.db2.gz HKWQYFVRBTWNEU-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO Cn1nnc(C[N@@H+](C)CCC(C)(C)C)n1 ZINC000646028589 388127890 /nfs/dbraw/zinc/12/78/90/388127890.db2.gz HKWQYFVRBTWNEU-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000449014066 388129562 /nfs/dbraw/zinc/12/95/62/388129562.db2.gz NXXXQQHLUQYNNC-UWVGGRQHSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000449014066 388129563 /nfs/dbraw/zinc/12/95/63/388129563.db2.gz NXXXQQHLUQYNNC-UWVGGRQHSA-N 1 2 238.335 1.216 20 0 BDADLO COc1nccc(C[N@@H+]2CCOC(C)(C)C2)n1 ZINC000449013198 388130080 /nfs/dbraw/zinc/13/00/80/388130080.db2.gz JXWZTDIKPOQVDL-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccc(C[N@H+]2CCOC(C)(C)C2)n1 ZINC000449013198 388130082 /nfs/dbraw/zinc/13/00/82/388130082.db2.gz JXWZTDIKPOQVDL-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccc(C[N@H+](C)CCC(F)(F)F)n1 ZINC000449018324 388130600 /nfs/dbraw/zinc/13/06/00/388130600.db2.gz JMLBQCZMGNAHTG-UHFFFAOYSA-N 1 2 249.236 1.869 20 0 BDADLO COc1nccc(C[N@@H+](C)CCC(F)(F)F)n1 ZINC000449018324 388130602 /nfs/dbraw/zinc/13/06/02/388130602.db2.gz JMLBQCZMGNAHTG-UHFFFAOYSA-N 1 2 249.236 1.869 20 0 BDADLO CC[C@@H](COC)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449660988 388249808 /nfs/dbraw/zinc/24/98/08/388249808.db2.gz HJSFVDDDEPDWPY-UWVGGRQHSA-N 1 2 217.309 1.341 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000449664483 388250230 /nfs/dbraw/zinc/25/02/30/388250230.db2.gz PNNCFCLODXUFCF-GUBZILKMSA-N 1 2 215.293 1.094 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000449387187 388190675 /nfs/dbraw/zinc/19/06/75/388190675.db2.gz KVQOCGJIHOHDMV-JTQLQIEISA-N 1 2 224.283 1.086 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000449387187 388190678 /nfs/dbraw/zinc/19/06/78/388190678.db2.gz KVQOCGJIHOHDMV-JTQLQIEISA-N 1 2 224.283 1.086 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)[nH]1 ZINC000449395753 388192948 /nfs/dbraw/zinc/19/29/48/388192948.db2.gz QQMKERIFKIYIOY-MRVPVSSYSA-N 1 2 226.251 1.345 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)[nH]1 ZINC000449395753 388192949 /nfs/dbraw/zinc/19/29/49/388192949.db2.gz QQMKERIFKIYIOY-MRVPVSSYSA-N 1 2 226.251 1.345 20 0 BDADLO CCCN(CC(N)=O)c1[nH]c2ccccc2[nH+]1 ZINC000488783831 388194707 /nfs/dbraw/zinc/19/47/07/388194707.db2.gz OSKUMJFNHIXPAH-UHFFFAOYSA-N 1 2 232.287 1.265 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccn(C)c1 ZINC000456343482 388195779 /nfs/dbraw/zinc/19/57/79/388195779.db2.gz FJCIJWQBKGCHPY-JTQLQIEISA-N 1 2 246.314 1.733 20 0 BDADLO CCn1nnc(C)c1C[NH2+][C@H](C)C(C)(F)F ZINC000449414100 388198173 /nfs/dbraw/zinc/19/81/73/388198173.db2.gz LDTHDFPSWOOHDE-MRVPVSSYSA-N 1 2 232.278 1.740 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)SC ZINC000456385733 388198841 /nfs/dbraw/zinc/19/88/41/388198841.db2.gz MJUKZBUEGGVPJP-BDAKNGLRSA-N 1 2 241.360 1.832 20 0 BDADLO CC[N@H+](Cc1ccccc1C(=O)OC)C1COC1 ZINC000449428577 388203210 /nfs/dbraw/zinc/20/32/10/388203210.db2.gz VIMRWKQNMMODCY-UHFFFAOYSA-N 1 2 249.310 1.694 20 0 BDADLO CC[N@@H+](Cc1ccccc1C(=O)OC)C1COC1 ZINC000449428577 388203212 /nfs/dbraw/zinc/20/32/12/388203212.db2.gz VIMRWKQNMMODCY-UHFFFAOYSA-N 1 2 249.310 1.694 20 0 BDADLO CC[N@H+](Cc1cn2ccccc2n1)C1COC1 ZINC000449429621 388203695 /nfs/dbraw/zinc/20/36/95/388203695.db2.gz XKIZNBUUMCHVRK-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@@H+](Cc1cn2ccccc2n1)C1COC1 ZINC000449429621 388203698 /nfs/dbraw/zinc/20/36/98/388203698.db2.gz XKIZNBUUMCHVRK-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1CCC1 ZINC000517796438 256551481 /nfs/dbraw/zinc/55/14/81/256551481.db2.gz GAIIWDASJIOCHH-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CC(C)OC(=O)[C@@H](NCc1c[nH+]c[nH]1)C(C)C ZINC000449503816 388220884 /nfs/dbraw/zinc/22/08/84/388220884.db2.gz IGMUHMKOCKPTOA-NSHDSACASA-N 1 2 239.319 1.476 20 0 BDADLO CC(C)OC(=O)[C@@H](NCc1c[nH]c[nH+]1)C(C)C ZINC000449503816 388220885 /nfs/dbraw/zinc/22/08/85/388220885.db2.gz IGMUHMKOCKPTOA-NSHDSACASA-N 1 2 239.319 1.476 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H](O)C2CCC2)c[nH+]1 ZINC000456825050 388225585 /nfs/dbraw/zinc/22/55/85/388225585.db2.gz GGWHABUFWNIKDL-ZDUSSCGKSA-N 1 2 248.326 1.476 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000489963331 388230061 /nfs/dbraw/zinc/23/00/61/388230061.db2.gz JHDAVYCBZHPXRE-QMMMGPOBSA-N 1 2 221.308 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H]2C)[nH+]1 ZINC000489963331 388230062 /nfs/dbraw/zinc/23/00/62/388230062.db2.gz JHDAVYCBZHPXRE-QMMMGPOBSA-N 1 2 221.308 1.235 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449551508 388230495 /nfs/dbraw/zinc/23/04/95/388230495.db2.gz GQAPUJSXAGFAEZ-YRGRVCCFSA-N 1 2 249.358 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449551508 388230497 /nfs/dbraw/zinc/23/04/97/388230497.db2.gz GQAPUJSXAGFAEZ-YRGRVCCFSA-N 1 2 249.358 1.701 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@H]2CCO)[nH+]1 ZINC000489997069 388230638 /nfs/dbraw/zinc/23/06/38/388230638.db2.gz XYFKLZSRUFNRKY-JTQLQIEISA-N 1 2 246.314 1.618 20 0 BDADLO COc1cccnc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000456890202 388231200 /nfs/dbraw/zinc/23/12/00/388231200.db2.gz WMZRZMBWBYINAQ-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CC[C@@]1(O)CCN(c2cc[nH+]c(C)n2)C1 ZINC000490074460 388233242 /nfs/dbraw/zinc/23/32/42/388233242.db2.gz JCTSVGGSXFOPFC-LLVKDONJSA-N 1 2 207.277 1.136 20 0 BDADLO CSC1(C[N@@H+](CC(F)F)C[C@H](C)O)CC1 ZINC000449635871 388244987 /nfs/dbraw/zinc/24/49/87/388244987.db2.gz VEFLZGKVTCCJBV-QMMMGPOBSA-N 1 2 239.331 1.830 20 0 BDADLO CSC1(C[N@H+](CC(F)F)C[C@H](C)O)CC1 ZINC000449635871 388244989 /nfs/dbraw/zinc/24/49/89/388244989.db2.gz VEFLZGKVTCCJBV-QMMMGPOBSA-N 1 2 239.331 1.830 20 0 BDADLO O=C(CC1CCC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449653081 388248297 /nfs/dbraw/zinc/24/82/97/388248297.db2.gz RORKBYWDHSBQQU-SNVBAGLBSA-N 1 2 246.301 1.538 20 0 BDADLO CCC[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449646621 388248415 /nfs/dbraw/zinc/24/84/15/388248415.db2.gz BTTNSJLHSPXHFD-VHSXEESVSA-N 1 2 248.317 1.784 20 0 BDADLO C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC(=O)N1 ZINC000451637494 388286482 /nfs/dbraw/zinc/28/64/82/388286482.db2.gz BLJCUOUKGLFKMO-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC(=O)N1 ZINC000451637494 388286484 /nfs/dbraw/zinc/28/64/84/388286484.db2.gz BLJCUOUKGLFKMO-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000451830892 388298952 /nfs/dbraw/zinc/29/89/52/388298952.db2.gz YUSONZHRSLSSEA-UONOGXRCSA-N 1 2 240.391 1.972 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H](O)C(C)(C)C ZINC000451836768 388299355 /nfs/dbraw/zinc/29/93/55/388299355.db2.gz PUAYPWIJESZFIU-IUCAKERBSA-N 1 2 239.306 1.341 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H](O)C(C)(C)C ZINC000451836768 388299356 /nfs/dbraw/zinc/29/93/56/388299356.db2.gz PUAYPWIJESZFIU-IUCAKERBSA-N 1 2 239.306 1.341 20 0 BDADLO C[C@H](O)C[N@H+](CC[C@H](C)F)CC(F)F ZINC000451834516 388299904 /nfs/dbraw/zinc/29/99/04/388299904.db2.gz NTOJIIIAYMMJIT-YUMQZZPRSA-N 1 2 213.243 1.682 20 0 BDADLO C[C@H](O)C[N@@H+](CC[C@H](C)F)CC(F)F ZINC000451834516 388299905 /nfs/dbraw/zinc/29/99/05/388299905.db2.gz NTOJIIIAYMMJIT-YUMQZZPRSA-N 1 2 213.243 1.682 20 0 BDADLO COCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451851134 388301120 /nfs/dbraw/zinc/30/11/20/388301120.db2.gz LKUFMIGUOCOAMR-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO COCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451851134 388301121 /nfs/dbraw/zinc/30/11/21/388301121.db2.gz LKUFMIGUOCOAMR-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=CC1CCOCC1 ZINC000491847503 388324743 /nfs/dbraw/zinc/32/47/43/388324743.db2.gz PTZSFVUKDGIQJB-IHWYPQMZSA-N 1 2 246.310 1.733 20 0 BDADLO O=C(/C=C/C1CC1)NCCCCn1cc[nH+]c1 ZINC000491907369 388327231 /nfs/dbraw/zinc/32/72/31/388327231.db2.gz JRYLVCVZQAVUOB-AATRIKPKSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(/C=C/c1cscn1)NCCc1[nH]cc[nH+]1 ZINC000491945142 388328901 /nfs/dbraw/zinc/32/89/01/388328901.db2.gz KIKUDWKLMSHWIO-OWOJBTEDSA-N 1 2 248.311 1.238 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccccn2)nn1C ZINC000451380884 388267669 /nfs/dbraw/zinc/26/76/69/388267669.db2.gz XEFQZOQHSVIGJS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccccn2)nn1C ZINC000451380884 388267670 /nfs/dbraw/zinc/26/76/70/388267670.db2.gz XEFQZOQHSVIGJS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO COC(=O)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451487537 388277031 /nfs/dbraw/zinc/27/70/31/388277031.db2.gz BVFNXTSMPBSTCV-ZJUUUORDSA-N 1 2 229.320 1.341 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NN1CCCCC1 ZINC000492344204 388342130 /nfs/dbraw/zinc/34/21/30/388342130.db2.gz ORSCNHNVJFRSBP-SREVYHEPSA-N 1 2 248.330 1.433 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@H]1CCOC1 ZINC000492404780 388343634 /nfs/dbraw/zinc/34/36/34/388343634.db2.gz AGUUXYZBBCGQDX-ZWNMCFTASA-N 1 2 249.314 1.164 20 0 BDADLO C[C@H]([NH2+]C/C=C/Cl)c1ncn(C)n1 ZINC000275613568 388344865 /nfs/dbraw/zinc/34/48/65/388344865.db2.gz SSYCZWHGUUOLHR-SDLBARTOSA-N 1 2 200.673 1.218 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1ncn(C)n1 ZINC000275783884 388346232 /nfs/dbraw/zinc/34/62/32/388346232.db2.gz IIYBDEYKNJCSFO-QMMMGPOBSA-N 1 2 203.249 1.383 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ncn(C)n1 ZINC000278375394 388354651 /nfs/dbraw/zinc/35/46/51/388354651.db2.gz LBFKWGYDMPUIRD-NXEZZACHSA-N 1 2 222.292 1.158 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC12CC2 ZINC000569321345 388359758 /nfs/dbraw/zinc/35/97/58/388359758.db2.gz XYWNEZREMYPTLU-QWRGUYRKSA-N 1 2 248.330 1.371 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)no1 ZINC000305192360 388366944 /nfs/dbraw/zinc/36/69/44/388366944.db2.gz RVYATPWYSDFANB-SECBINFHSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2C(C)(C)O)no1 ZINC000305192360 388366947 /nfs/dbraw/zinc/36/69/47/388366947.db2.gz RVYATPWYSDFANB-SECBINFHSA-N 1 2 225.292 1.113 20 0 BDADLO CN(c1nc[nH+]c(N)c1Cl)C1CCC1 ZINC000227849481 388371823 /nfs/dbraw/zinc/37/18/23/388371823.db2.gz PEOSSPDEOULEAD-UHFFFAOYSA-N 1 2 212.684 1.701 20 0 BDADLO CN(c1[nH+]cnc(N)c1Cl)C1CCC1 ZINC000227849481 388371826 /nfs/dbraw/zinc/37/18/26/388371826.db2.gz PEOSSPDEOULEAD-UHFFFAOYSA-N 1 2 212.684 1.701 20 0 BDADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000519621008 256652895 /nfs/dbraw/zinc/65/28/95/256652895.db2.gz VUYKPDCOUHUNMP-VHSXEESVSA-N 1 2 229.287 1.730 20 0 BDADLO Nc1nccnc1SCCn1cc[nH+]c1 ZINC000236353754 388379670 /nfs/dbraw/zinc/37/96/70/388379670.db2.gz SGLZRNHQLZOBQY-UHFFFAOYSA-N 1 2 221.289 1.048 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000163599588 388383102 /nfs/dbraw/zinc/38/31/02/388383102.db2.gz SDMRJQXYTKBADD-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000163599588 388383104 /nfs/dbraw/zinc/38/31/04/388383104.db2.gz SDMRJQXYTKBADD-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000236936644 388386477 /nfs/dbraw/zinc/38/64/77/388386477.db2.gz PNAGLXPAWJZUPQ-ZOBORPQBSA-N 1 2 244.338 1.568 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000236947341 388386585 /nfs/dbraw/zinc/38/65/85/388386585.db2.gz ZVGWICPKBKWHTC-XDTLVQLUSA-N 1 2 232.327 1.773 20 0 BDADLO CC(F)(F)CNC(=O)NCCCn1cc[nH+]c1 ZINC000519870934 256662417 /nfs/dbraw/zinc/66/24/17/256662417.db2.gz OPAAECIZGMXBKE-UHFFFAOYSA-N 1 2 246.261 1.228 20 0 BDADLO CC1(C)CC[N@H+](CC(=O)Nc2ncccc2O)C1 ZINC000646590481 388392173 /nfs/dbraw/zinc/39/21/73/388392173.db2.gz KFCCSKHLFBVDJL-UHFFFAOYSA-N 1 2 249.314 1.458 20 0 BDADLO CC1(C)CC[N@@H+](CC(=O)Nc2ncccc2O)C1 ZINC000646590481 388392175 /nfs/dbraw/zinc/39/21/75/388392175.db2.gz KFCCSKHLFBVDJL-UHFFFAOYSA-N 1 2 249.314 1.458 20 0 BDADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccccn1 ZINC000646611398 388394666 /nfs/dbraw/zinc/39/46/66/388394666.db2.gz ZEEGZGAGDVFCTC-LLVKDONJSA-N 1 2 247.342 1.601 20 0 BDADLO Cc1cc(C[NH+]2CCN(CCO)CC2)cs1 ZINC000294542736 388401235 /nfs/dbraw/zinc/40/12/35/388401235.db2.gz JCSBLGJWHVOMPW-UHFFFAOYSA-N 1 2 240.372 1.166 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/C1CCC1 ZINC000492080664 388334037 /nfs/dbraw/zinc/33/40/37/388334037.db2.gz DBJLVGMLAJECJH-QRGHLMKCSA-N 1 2 233.315 1.744 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[C@H]1C ZINC000492271391 388339803 /nfs/dbraw/zinc/33/98/03/388339803.db2.gz GDSOEEOMWFRKNN-KWKBKKAHSA-N 1 2 233.315 1.688 20 0 BDADLO CCN(CC)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492271909 388339882 /nfs/dbraw/zinc/33/98/82/388339882.db2.gz GWICIHRIDOSWSA-FPLPWBNLSA-N 1 2 221.304 1.785 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H](C)C1 ZINC000492280553 388340107 /nfs/dbraw/zinc/34/01/07/388340107.db2.gz XSIOZFFNPIASTO-SGUJLRQBSA-N 1 2 233.315 1.785 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CC1(F)CC1 ZINC000525979016 388443049 /nfs/dbraw/zinc/44/30/49/388443049.db2.gz QYWBKSIYLKHYJY-VIFPVBQESA-N 1 2 237.340 1.244 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CC1(F)CC1 ZINC000525979016 388443051 /nfs/dbraw/zinc/44/30/51/388443051.db2.gz QYWBKSIYLKHYJY-VIFPVBQESA-N 1 2 237.340 1.244 20 0 BDADLO C[C@@H]1C[N@H+](CC2(F)CC2)CC[S@@](=O)C1 ZINC000526001505 388453779 /nfs/dbraw/zinc/45/37/79/388453779.db2.gz TXFQYBPPBLONID-YMTOWFKASA-N 1 2 219.325 1.189 20 0 BDADLO C[C@@H]1C[N@@H+](CC2(F)CC2)CC[S@@](=O)C1 ZINC000526001505 388453782 /nfs/dbraw/zinc/45/37/82/388453782.db2.gz TXFQYBPPBLONID-YMTOWFKASA-N 1 2 219.325 1.189 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1ccoc1 ZINC000060408076 388459858 /nfs/dbraw/zinc/45/98/58/388459858.db2.gz XXMXOKSJXYWSJP-UHFFFAOYSA-N 1 2 233.271 1.686 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649224768 388462962 /nfs/dbraw/zinc/46/29/62/388462962.db2.gz SFCJYPOJXPCKBN-SNVBAGLBSA-N 1 2 239.294 1.311 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000515468747 388465052 /nfs/dbraw/zinc/46/50/52/388465052.db2.gz WCRUNGLABLWPRI-KCJUWKMLSA-N 1 2 246.314 1.119 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000515468747 388465055 /nfs/dbraw/zinc/46/50/55/388465055.db2.gz WCRUNGLABLWPRI-KCJUWKMLSA-N 1 2 246.314 1.119 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@]1(C)C(C)C)C(=O)OC ZINC000397412545 388468646 /nfs/dbraw/zinc/46/86/46/388468646.db2.gz YISSZDJXIAVCOH-UMNHJUIQSA-N 1 2 213.321 1.962 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC23CC3)c(C)c[nH+]1 ZINC000516053771 388470454 /nfs/dbraw/zinc/47/04/54/388470454.db2.gz ONMPBJHXGNWEOI-NSHDSACASA-N 1 2 231.299 1.794 20 0 BDADLO C[C@@H](CO[C@H]1CCOC1)Nc1cccc[nH+]1 ZINC000133831814 388471674 /nfs/dbraw/zinc/47/16/74/388471674.db2.gz QBEFYAJXMXNQQV-QWRGUYRKSA-N 1 2 222.288 1.688 20 0 BDADLO C[C@@H]1CC(C(=O)Nc2ccc(N)[nH+]c2)C[C@@H](C)O1 ZINC000649270799 388481679 /nfs/dbraw/zinc/48/16/79/388481679.db2.gz YIKOUKMQLQJPJC-RKDXNWHRSA-N 1 2 249.314 1.636 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](CC(C)C)OC)C(C)C ZINC000573096125 388419732 /nfs/dbraw/zinc/41/97/32/388419732.db2.gz AZCLNEIJIUSWHD-VXGBXAGGSA-N 1 2 245.363 1.835 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000573112150 388421138 /nfs/dbraw/zinc/42/11/38/388421138.db2.gz PDGBHNUTBIPCMG-DOFRTFSJSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000573112150 388421141 /nfs/dbraw/zinc/42/11/41/388421141.db2.gz PDGBHNUTBIPCMG-DOFRTFSJSA-N 1 2 219.288 1.257 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](OC)C2)n1 ZINC000246130778 388438784 /nfs/dbraw/zinc/43/87/84/388438784.db2.gz PBPQLOKSPOFLHP-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](OC)C2)n1 ZINC000246130778 388438787 /nfs/dbraw/zinc/43/87/87/388438787.db2.gz PBPQLOKSPOFLHP-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H]1C1CC1 ZINC000528520276 388540826 /nfs/dbraw/zinc/54/08/26/388540826.db2.gz WLWCIKXEODNGKC-XXILOJSOSA-N 1 2 233.315 1.361 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ncccc1Cl ZINC000528518697 388541338 /nfs/dbraw/zinc/54/13/38/388541338.db2.gz HKLVGJCYPZFGKK-WDEREUQCSA-N 1 2 242.706 1.238 20 0 BDADLO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548488377 388543332 /nfs/dbraw/zinc/54/33/32/388543332.db2.gz VJCFFNCMNWFQDL-VHSXEESVSA-N 1 2 238.335 1.959 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000528527206 388544261 /nfs/dbraw/zinc/54/42/61/388544261.db2.gz SFKYVTNMWNSFJN-QDJRAUDGSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000528527206 388544263 /nfs/dbraw/zinc/54/42/63/388544263.db2.gz SFKYVTNMWNSFJN-QDJRAUDGSA-N 1 2 219.712 1.211 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C)CCC1 ZINC000548519623 388545306 /nfs/dbraw/zinc/54/53/06/388545306.db2.gz KXGJKIIFZCIKSM-UHFFFAOYSA-N 1 2 207.277 1.021 20 0 BDADLO Cc1cocc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000528570127 388547869 /nfs/dbraw/zinc/54/78/69/388547869.db2.gz SFZGCLPAYXCZLX-UHFFFAOYSA-N 1 2 231.255 1.482 20 0 BDADLO C=C/C(C)=C/CC(=O)NCc1c[nH+]c(C)nc1N ZINC000648902068 388486696 /nfs/dbraw/zinc/48/66/96/388486696.db2.gz JZXPGTZYOJJUSI-WEVVVXLNSA-N 1 2 246.314 1.336 20 0 BDADLO COCCC1CC[NH+](Cc2cnsn2)CC1 ZINC000528580981 388549031 /nfs/dbraw/zinc/54/90/31/388549031.db2.gz JQQZHWDLLWNIEO-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135658346 388504281 /nfs/dbraw/zinc/50/42/81/388504281.db2.gz SNJHWXCZUUDPEZ-ZDUSSCGKSA-N 1 2 242.363 1.356 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135658346 388504284 /nfs/dbraw/zinc/50/42/84/388504284.db2.gz SNJHWXCZUUDPEZ-ZDUSSCGKSA-N 1 2 242.363 1.356 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2c([nH]1)CCCC2 ZINC000648954415 388517140 /nfs/dbraw/zinc/51/71/40/388517140.db2.gz UNFJPZKDRFNTGS-UHFFFAOYSA-N 1 2 244.298 1.547 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2c([nH]1)CCCC2 ZINC000648954415 388517143 /nfs/dbraw/zinc/51/71/43/388517143.db2.gz UNFJPZKDRFNTGS-UHFFFAOYSA-N 1 2 244.298 1.547 20 0 BDADLO C[N@H+](Cc1coc(S(C)(=O)=O)c1)C1CCC1 ZINC000528387021 388519308 /nfs/dbraw/zinc/51/93/08/388519308.db2.gz BVCJFWBEAWQNBP-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO C[N@@H+](Cc1coc(S(C)(=O)=O)c1)C1CCC1 ZINC000528387021 388519310 /nfs/dbraw/zinc/51/93/10/388519310.db2.gz BVCJFWBEAWQNBP-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO c1nnc([C@@H]([NH2+][C@H]2CCOC2)c2ccccc2)[nH]1 ZINC000548176325 388519664 /nfs/dbraw/zinc/51/96/64/388519664.db2.gz XXXSLPKIHCZHSP-RYUDHWBXSA-N 1 2 244.298 1.273 20 0 BDADLO CC(C)c1nnc(Cn2cc[nH+]c2)s1 ZINC000528406611 388520503 /nfs/dbraw/zinc/52/05/03/388520503.db2.gz XMXOAGPPXAOIHI-UHFFFAOYSA-N 1 2 208.290 1.906 20 0 BDADLO CN(CC1CCC1)C(=O)Cc1c[nH+]cn1C ZINC000548191169 388520917 /nfs/dbraw/zinc/52/09/17/388520917.db2.gz FXICIYDNMOAMEG-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cc(CO)ccc1F ZINC000528423912 388522050 /nfs/dbraw/zinc/52/20/50/388522050.db2.gz PPJBIWMLOOTLKD-UHFFFAOYSA-N 1 2 249.289 1.673 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000548210449 388522026 /nfs/dbraw/zinc/52/20/26/388522026.db2.gz TVAOEBZTDWYKFM-SNVBAGLBSA-N 1 2 223.320 1.467 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(CO)ccc1F ZINC000528423912 388522051 /nfs/dbraw/zinc/52/20/51/388522051.db2.gz PPJBIWMLOOTLKD-UHFFFAOYSA-N 1 2 249.289 1.673 20 0 BDADLO O=C1C[N@H+](CCCCO)Cc2ccccc2N1 ZINC000516935525 388526420 /nfs/dbraw/zinc/52/64/20/388526420.db2.gz BSTPRIULEDFKQK-UHFFFAOYSA-N 1 2 234.299 1.213 20 0 BDADLO O=C1C[N@@H+](CCCCO)Cc2ccccc2N1 ZINC000516935525 388526424 /nfs/dbraw/zinc/52/64/24/388526424.db2.gz BSTPRIULEDFKQK-UHFFFAOYSA-N 1 2 234.299 1.213 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000348173766 388526615 /nfs/dbraw/zinc/52/66/15/388526615.db2.gz WEAKGPZHTSCCJA-NXEZZACHSA-N 1 2 220.272 1.835 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)c1cn[nH]c1)n1cc[nH+]c1 ZINC000516974881 388530163 /nfs/dbraw/zinc/53/01/63/388530163.db2.gz NBJDLUZRABDSHA-UWVGGRQHSA-N 1 2 247.302 1.435 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H]1C1CC1 ZINC000528473272 388531691 /nfs/dbraw/zinc/53/16/91/388531691.db2.gz FBZOLYHBQLOMTB-KPXOXKRLSA-N 1 2 233.315 1.660 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000528479993 388532239 /nfs/dbraw/zinc/53/22/39/388532239.db2.gz XAGCAQUETVYMMV-QZGLAHODSA-N 1 2 226.711 1.797 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCn2cnnc2[C@H]1C ZINC000528479993 388532241 /nfs/dbraw/zinc/53/22/41/388532241.db2.gz XAGCAQUETVYMMV-QZGLAHODSA-N 1 2 226.711 1.797 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C(\C)Cl)C[C@@H](C)O1 ZINC000528477535 388532853 /nfs/dbraw/zinc/53/28/53/388532853.db2.gz XEIIDHAYJQABFV-BDMRALOESA-N 1 2 233.739 1.865 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C(\C)Cl)C[C@@H](C)O1 ZINC000528477535 388532855 /nfs/dbraw/zinc/53/28/55/388532855.db2.gz XEIIDHAYJQABFV-BDMRALOESA-N 1 2 233.739 1.865 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1C/C=C(\C)Cl ZINC000528509389 388534775 /nfs/dbraw/zinc/53/47/75/388534775.db2.gz SARPCBYASWBWSA-LFJXOHPOSA-N 1 2 233.739 1.866 20 0 BDADLO COCC[C@H]1COCC[N@H+]1C/C=C(\C)Cl ZINC000528509389 388534779 /nfs/dbraw/zinc/53/47/79/388534779.db2.gz SARPCBYASWBWSA-LFJXOHPOSA-N 1 2 233.739 1.866 20 0 BDADLO Cc1csc(C[N@H+](C)C[C@@H]2COCCO2)n1 ZINC000649317037 388606695 /nfs/dbraw/zinc/60/66/95/388606695.db2.gz ZHAAODWQTUYDPH-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO Cc1csc(C[N@@H+](C)C[C@@H]2COCCO2)n1 ZINC000649317037 388606698 /nfs/dbraw/zinc/60/66/98/388606698.db2.gz ZHAAODWQTUYDPH-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000521485536 388610608 /nfs/dbraw/zinc/61/06/08/388610608.db2.gz ZKGKQNSDPWMKKL-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C1CC1 ZINC000356707484 388551527 /nfs/dbraw/zinc/55/15/27/388551527.db2.gz YFLJEQCWJNVXKG-ZMLRMANQSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000517546122 388552208 /nfs/dbraw/zinc/55/22/08/388552208.db2.gz UPIWAUWFUFQHCT-LLVKDONJSA-N 1 2 237.299 1.042 20 0 BDADLO COC(=O)C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000517546122 388552211 /nfs/dbraw/zinc/55/22/11/388552211.db2.gz UPIWAUWFUFQHCT-LLVKDONJSA-N 1 2 237.299 1.042 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000528720962 388562719 /nfs/dbraw/zinc/56/27/19/388562719.db2.gz NLLQFYUNMKJHSA-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000528720962 388562721 /nfs/dbraw/zinc/56/27/21/388562721.db2.gz NLLQFYUNMKJHSA-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CC[C@@H](C)[C@@H](CNc1cc[nH+]c(C)n1)OC ZINC000362975377 388562728 /nfs/dbraw/zinc/56/27/28/388562728.db2.gz FIPQUYBGDWEOKW-MWLCHTKSSA-N 1 2 223.320 1.680 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncn(C)n2)c(C)s1 ZINC000218956372 388615844 /nfs/dbraw/zinc/61/58/44/388615844.db2.gz QPBFZTCCZQBJJH-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528766073 388569118 /nfs/dbraw/zinc/56/91/18/388569118.db2.gz CFZDEAFHGNFCMC-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528766073 388569121 /nfs/dbraw/zinc/56/91/21/388569121.db2.gz CFZDEAFHGNFCMC-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1CCS(C)(=O)=O ZINC000528762005 388569216 /nfs/dbraw/zinc/56/92/16/388569216.db2.gz IXNJCDYLWXTQJK-QMMMGPOBSA-N 1 2 241.303 1.151 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1CCS(C)(=O)=O ZINC000528762005 388569219 /nfs/dbraw/zinc/56/92/19/388569219.db2.gz IXNJCDYLWXTQJK-QMMMGPOBSA-N 1 2 241.303 1.151 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1ncccc1F ZINC000528824457 388577134 /nfs/dbraw/zinc/57/71/34/388577134.db2.gz BHEYCOLGGCCJCS-WPRPVWTQSA-N 1 2 237.278 1.102 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](CCO)c1ccco1 ZINC000184512803 388579661 /nfs/dbraw/zinc/57/96/61/388579661.db2.gz VQIRQSWQXKXQKX-LLVKDONJSA-N 1 2 249.314 1.709 20 0 BDADLO CCn1cc[nH+]c1CN[C@H](CCO)c1ccco1 ZINC000184512803 388579664 /nfs/dbraw/zinc/57/96/64/388579664.db2.gz VQIRQSWQXKXQKX-LLVKDONJSA-N 1 2 249.314 1.709 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cn[nH]c1 ZINC000615652749 388581530 /nfs/dbraw/zinc/58/15/30/388581530.db2.gz AYWCVMKYOZJWFF-SRVKXCTJSA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cn[nH]c1 ZINC000615652749 388581532 /nfs/dbraw/zinc/58/15/32/388581532.db2.gz AYWCVMKYOZJWFF-SRVKXCTJSA-N 1 2 249.314 1.183 20 0 BDADLO c1cnn(CC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000064142780 388666422 /nfs/dbraw/zinc/66/64/22/388666422.db2.gz YAJOYODZOMWVNT-LBPRGKRZSA-N 1 2 245.330 1.486 20 0 BDADLO c1cnn(CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000064142780 388666425 /nfs/dbraw/zinc/66/64/25/388666425.db2.gz YAJOYODZOMWVNT-LBPRGKRZSA-N 1 2 245.330 1.486 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CC[C@@H](C)F ZINC000552082674 388667526 /nfs/dbraw/zinc/66/75/26/388667526.db2.gz BDCRDRCMKCEOMY-NXEZZACHSA-N 1 2 249.351 1.715 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CC[C@@H](C)F ZINC000552082674 388667528 /nfs/dbraw/zinc/66/75/28/388667528.db2.gz BDCRDRCMKCEOMY-NXEZZACHSA-N 1 2 249.351 1.715 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)OCC(C)C ZINC000522075750 388683598 /nfs/dbraw/zinc/68/35/98/388683598.db2.gz BCNFYJHOJXTUGF-NSHDSACASA-N 1 2 236.315 1.812 20 0 BDADLO CC[C@H]([NH2+][C@H](C)C(=O)OC)[C@H]1CCCO1 ZINC000248573251 388684054 /nfs/dbraw/zinc/68/40/54/388684054.db2.gz GPRKURVCXBXOPO-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@H]([NH2+][C@H](C)C(=O)OC)[C@@H]1CCCO1 ZINC000248573254 388684353 /nfs/dbraw/zinc/68/43/53/388684353.db2.gz GPRKURVCXBXOPO-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@@H]2COCCN2)cs1 ZINC000530220607 388633132 /nfs/dbraw/zinc/63/31/32/388633132.db2.gz BSMQEPLKIPGYRP-PSASIEDQSA-N 1 2 241.360 1.091 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccn(C)n2)nc(C)n1 ZINC000551569405 388633909 /nfs/dbraw/zinc/63/39/09/388633909.db2.gz RIBSRAXXFXUWMJ-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328368885 388641807 /nfs/dbraw/zinc/64/18/07/388641807.db2.gz HVQNGZDNZJRWHN-SECBINFHSA-N 1 2 229.320 1.485 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC(C1CC1)C1CC1 ZINC000620410597 388646824 /nfs/dbraw/zinc/64/68/24/388646824.db2.gz ALAGDGHJPJVHBI-UHFFFAOYSA-N 1 2 247.342 1.968 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000152588564 388648094 /nfs/dbraw/zinc/64/80/94/388648094.db2.gz FOPGSKRZUVGWPW-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000152588564 388648095 /nfs/dbraw/zinc/64/80/95/388648095.db2.gz FOPGSKRZUVGWPW-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2conc2C)cn1 ZINC000552050323 388664307 /nfs/dbraw/zinc/66/43/07/388664307.db2.gz MZVHUMWGPFRLBZ-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2conc2C)cn1 ZINC000552050323 388664310 /nfs/dbraw/zinc/66/43/10/388664310.db2.gz MZVHUMWGPFRLBZ-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CC[C@@H](CSC)N(C)C(=O)Cn1cc[nH+]c1 ZINC000552695111 388735481 /nfs/dbraw/zinc/73/54/81/388735481.db2.gz VPYDCJLBOKNNKK-JTQLQIEISA-N 1 2 241.360 1.483 20 0 BDADLO Cc1cccn2cc(CNc3cccnn3)[nH+]c12 ZINC000552828206 388737809 /nfs/dbraw/zinc/73/78/09/388737809.db2.gz KABOVUNUUGQDKA-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO CNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000552845099 388738388 /nfs/dbraw/zinc/73/83/88/388738388.db2.gz JABIDUNYSULQDI-ZCFIWIBFSA-N 1 2 235.209 1.202 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CCC(=O)N(C)C1 ZINC000128112599 388738952 /nfs/dbraw/zinc/73/89/52/388738952.db2.gz COQSJYWVYDGVDA-VIFPVBQESA-N 1 2 235.287 1.123 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CCN2CCCCC2)CC[N@H+]1C ZINC000128217797 388740645 /nfs/dbraw/zinc/74/06/45/388740645.db2.gz YUVQGINIXMYXRM-ZIAGYGMSSA-N 1 2 239.407 1.545 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000128216847 388741356 /nfs/dbraw/zinc/74/13/56/388741356.db2.gz ARTKUGOSYBCALT-SECBINFHSA-N 1 2 210.277 1.409 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000128216847 388741358 /nfs/dbraw/zinc/74/13/58/388741358.db2.gz ARTKUGOSYBCALT-SECBINFHSA-N 1 2 210.277 1.409 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194911364 388746978 /nfs/dbraw/zinc/74/69/78/388746978.db2.gz BGXJTAHBTLBUBZ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194911364 388746981 /nfs/dbraw/zinc/74/69/81/388746981.db2.gz BGXJTAHBTLBUBZ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065550752 388695157 /nfs/dbraw/zinc/69/51/57/388695157.db2.gz PQXFQSWXVCEYQK-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065550752 388695159 /nfs/dbraw/zinc/69/51/59/388695159.db2.gz PQXFQSWXVCEYQK-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CC[N@H+](Cc1csnn1)CC(C)(C)O ZINC000126683447 388699917 /nfs/dbraw/zinc/69/99/17/388699917.db2.gz SPDTWAUYDNKZOQ-UHFFFAOYSA-N 1 2 215.322 1.131 20 0 BDADLO CC[N@@H+](Cc1csnn1)CC(C)(C)O ZINC000126683447 388699920 /nfs/dbraw/zinc/69/99/20/388699920.db2.gz SPDTWAUYDNKZOQ-UHFFFAOYSA-N 1 2 215.322 1.131 20 0 BDADLO CCCC[N@H+](CCOC)Cc1ncnn1CC ZINC000193343007 388701649 /nfs/dbraw/zinc/70/16/49/388701649.db2.gz SNTUFCPTLHPEDA-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1ncnn1CC ZINC000193343007 388701652 /nfs/dbraw/zinc/70/16/52/388701652.db2.gz SNTUFCPTLHPEDA-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000249042278 388705945 /nfs/dbraw/zinc/70/59/45/388705945.db2.gz DCWOEQPEBVKZSK-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000249042278 388705947 /nfs/dbraw/zinc/70/59/47/388705947.db2.gz DCWOEQPEBVKZSK-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCN1CC[N@H+](CCc2cccc(C)n2)CC1=O ZINC000564208330 388705933 /nfs/dbraw/zinc/70/59/33/388705933.db2.gz SNHBCMMCNOBHDN-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO CCN1CC[N@@H+](CCc2cccc(C)n2)CC1=O ZINC000564208330 388705936 /nfs/dbraw/zinc/70/59/36/388705936.db2.gz SNHBCMMCNOBHDN-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000249396037 388719633 /nfs/dbraw/zinc/71/96/33/388719633.db2.gz SVMRMKKSRPRHOJ-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000249396037 388719634 /nfs/dbraw/zinc/71/96/34/388719634.db2.gz SVMRMKKSRPRHOJ-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO COc1ccc[nH+]c1NCCCn1ccnn1 ZINC000127434161 388722602 /nfs/dbraw/zinc/72/26/02/388722602.db2.gz VIPVJUUEBAPGSC-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO C[C@@H](NC(=O)C1(C)CCC1)c1[nH]cc[nH+]1 ZINC000552558384 388725775 /nfs/dbraw/zinc/72/57/75/388725775.db2.gz AJZMKGZVHHEHER-MRVPVSSYSA-N 1 2 207.277 1.777 20 0 BDADLO CCOC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000194214013 388726555 /nfs/dbraw/zinc/72/65/55/388726555.db2.gz JNPAVRWWSAOGML-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000194214013 388726556 /nfs/dbraw/zinc/72/65/56/388726556.db2.gz JNPAVRWWSAOGML-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1ncc(Cl)s1 ZINC000229522178 388792435 /nfs/dbraw/zinc/79/24/35/388792435.db2.gz IPMUJEQYIJWBOM-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCC1CC1 ZINC000540462946 388806581 /nfs/dbraw/zinc/80/65/81/388806581.db2.gz AUBSXUHWVMFLST-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCC1CC1 ZINC000540462946 388806585 /nfs/dbraw/zinc/80/65/85/388806585.db2.gz AUBSXUHWVMFLST-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H](C)O1 ZINC000251986825 388759015 /nfs/dbraw/zinc/75/90/15/388759015.db2.gz VSMCSDHQPKEWCO-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H](C)O1 ZINC000251986825 388759019 /nfs/dbraw/zinc/75/90/19/388759019.db2.gz VSMCSDHQPKEWCO-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO C[N@H+](Cc1csnn1)[C@H](CO)C(C)(C)C ZINC000128455543 388762133 /nfs/dbraw/zinc/76/21/33/388762133.db2.gz NZTBNVKSFKMDGQ-SECBINFHSA-N 1 2 229.349 1.377 20 0 BDADLO C[N@@H+](Cc1csnn1)[C@H](CO)C(C)(C)C ZINC000128455543 388762134 /nfs/dbraw/zinc/76/21/34/388762134.db2.gz NZTBNVKSFKMDGQ-SECBINFHSA-N 1 2 229.349 1.377 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCOC[C@@H]1C ZINC000564225646 388789693 /nfs/dbraw/zinc/78/96/93/388789693.db2.gz KJQGRZLLHXMXJL-ONGXEEELSA-N 1 2 221.304 1.930 20 0 BDADLO CC[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000555228204 388843398 /nfs/dbraw/zinc/84/33/98/388843398.db2.gz WWOXKNGZKAGHEV-WDEREUQCSA-N 1 2 221.304 1.578 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1CCCCC1 ZINC000554454518 388814844 /nfs/dbraw/zinc/81/48/44/388814844.db2.gz PHZSXYRJOIDGCN-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC(C)(C)CC1 ZINC000554550109 388820209 /nfs/dbraw/zinc/82/02/09/388820209.db2.gz RADSUXRDTOHSDX-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000554560640 388822943 /nfs/dbraw/zinc/82/29/43/388822943.db2.gz VWIIYNZRZFSHHR-XYPYZODXSA-N 1 2 235.331 1.658 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@H](C)OC ZINC000541074082 388838455 /nfs/dbraw/zinc/83/84/55/388838455.db2.gz JDLINUDJXYRKGF-VHSXEESVSA-N 1 2 247.360 1.002 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@H](C)OC ZINC000541074082 388838459 /nfs/dbraw/zinc/83/84/59/388838459.db2.gz JDLINUDJXYRKGF-VHSXEESVSA-N 1 2 247.360 1.002 20 0 BDADLO CCc1cnc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)o1 ZINC000555542060 388854051 /nfs/dbraw/zinc/85/40/51/388854051.db2.gz SWYGCSLOMYBTLJ-PHIMTYICSA-N 1 2 240.303 1.083 20 0 BDADLO CCc1cnc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)o1 ZINC000555542060 388854054 /nfs/dbraw/zinc/85/40/54/388854054.db2.gz SWYGCSLOMYBTLJ-PHIMTYICSA-N 1 2 240.303 1.083 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000565106366 388915098 /nfs/dbraw/zinc/91/50/98/388915098.db2.gz FMWPFPHUMAEPFV-NWDGAFQWSA-N 1 2 247.342 1.955 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccccn2)[nH+]1 ZINC000565108429 388916343 /nfs/dbraw/zinc/91/63/43/388916343.db2.gz XKMZHEZELHSNLM-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO CCCOc1ccc(C[NH+]2CC(O)C2)cc1 ZINC000565408017 388941619 /nfs/dbraw/zinc/94/16/19/388941619.db2.gz YANSJAHPZXWKOW-UHFFFAOYSA-N 1 2 221.300 1.652 20 0 BDADLO COc1ccc(F)c(N2CCn3cc[nH+]c3C2)n1 ZINC000565609996 388957486 /nfs/dbraw/zinc/95/74/86/388957486.db2.gz ZWOGQFSGZFGSAZ-UHFFFAOYSA-N 1 2 248.261 1.446 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H](OC)C1CC1 ZINC000566095818 388986809 /nfs/dbraw/zinc/98/68/09/388986809.db2.gz UVZMACQIXLDJJF-SNVBAGLBSA-N 1 2 247.302 1.293 20 0 BDADLO C[C@@H](O)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000264761412 388992841 /nfs/dbraw/zinc/99/28/41/388992841.db2.gz XYZXDYRWEZDRQV-SECBINFHSA-N 1 2 209.293 1.003 20 0 BDADLO CO[C@H](CNc1[nH+]cnc2c1cnn2C)C(C)C ZINC000266777949 388997886 /nfs/dbraw/zinc/99/78/86/388997886.db2.gz ZTLDKHXNAJZKMT-SNVBAGLBSA-N 1 2 249.318 1.446 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC(F)(F)F ZINC000267280863 388999096 /nfs/dbraw/zinc/99/90/96/388999096.db2.gz XNTSPZCTCSUZIE-UHFFFAOYSA-N 1 2 221.182 1.287 20 0 BDADLO c1ccc(NCCCO[C@@H]2CCOC2)[nH+]c1 ZINC000268279878 389001873 /nfs/dbraw/zinc/00/18/73/389001873.db2.gz WDHRGHHWOZEXNJ-LLVKDONJSA-N 1 2 222.288 1.689 20 0 BDADLO Cc1nc(N2CCO[C@@H](C3CC3)C2)cc[nH+]1 ZINC000362689109 132281542 /nfs/dbraw/zinc/28/15/42/132281542.db2.gz DGKLUFQQULTOFC-LLVKDONJSA-N 1 2 219.288 1.400 20 0 BDADLO COC(=O)N1CC([NH2+][C@H](C)c2cscn2)C1 ZINC000271525609 389021340 /nfs/dbraw/zinc/02/13/40/389021340.db2.gz QBBBFYBQGDVVKS-SSDOTTSWSA-N 1 2 241.316 1.244 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccncc1C ZINC000274588658 389046854 /nfs/dbraw/zinc/04/68/54/389046854.db2.gz HUNVGQYJBGKZFT-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCCS1 ZINC000273002472 389037375 /nfs/dbraw/zinc/03/73/75/389037375.db2.gz ZTKGAYFJBJRJTC-SNVBAGLBSA-N 1 2 239.344 1.620 20 0 BDADLO COC(=O)C[N@H+](C/C=C\c1ccncc1)C(C)C ZINC000495078301 533481313 /nfs/dbraw/zinc/48/13/13/533481313.db2.gz IVNDAPLIMHQVTF-PLNGDYQASA-N 1 2 248.326 1.978 20 0 BDADLO COC(=O)C[N@@H+](C/C=C\c1ccncc1)C(C)C ZINC000495078301 533481321 /nfs/dbraw/zinc/48/13/21/533481321.db2.gz IVNDAPLIMHQVTF-PLNGDYQASA-N 1 2 248.326 1.978 20 0 BDADLO C[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1CO ZINC000493468638 533637413 /nfs/dbraw/zinc/63/74/13/533637413.db2.gz RDFMQNMNHFTFHB-PRANIUCASA-N 1 2 249.314 1.042 20 0 BDADLO c1ccc(N2CCC[C@@H](C3OCCO3)C2)[nH+]c1 ZINC000264957600 132181264 /nfs/dbraw/zinc/18/12/64/132181264.db2.gz YNAWRIDHIRQRTI-LLVKDONJSA-N 1 2 234.299 1.671 20 0 BDADLO Cc1nc(N2CC[S@](=O)[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000266287798 132185881 /nfs/dbraw/zinc/18/58/81/132185881.db2.gz VZPMIHNUAZOZSH-GLSBUQGYSA-N 1 2 239.344 1.131 20 0 BDADLO C[C@H]1COCCN1c1cc[nH+]c2ccncc21 ZINC000267168030 132188332 /nfs/dbraw/zinc/18/83/32/132188332.db2.gz BQQFDUYHPFLDDS-JTQLQIEISA-N 1 2 229.283 1.855 20 0 BDADLO Cn1c[nH+]cc1CN1CCOc2ccc(F)cc21 ZINC000268176669 132191596 /nfs/dbraw/zinc/19/15/96/132191596.db2.gz VVAABPOFMCMSTE-UHFFFAOYSA-N 1 2 247.273 1.958 20 0 BDADLO c1cc2c(nc[nH+]c2N2CCCCO2)[nH]1 ZINC000275975775 132205549 /nfs/dbraw/zinc/20/55/49/132205549.db2.gz BTXYGSOVLNZDCL-UHFFFAOYSA-N 1 2 204.233 1.490 20 0 BDADLO C[C@@H]1OCC[C@]12CN(c1cccc[nH+]1)C[C@@H](C)O2 ZINC000279413355 132209078 /nfs/dbraw/zinc/20/90/78/132209078.db2.gz JRHVQDQJCFDDKN-DYEKYZERSA-N 1 2 248.326 1.854 20 0 BDADLO Fc1cccnc1N1CCn2c[nH+]cc2C1 ZINC000290662488 132217346 /nfs/dbraw/zinc/21/73/46/132217346.db2.gz JSZJCTWPZIYTPI-UHFFFAOYSA-N 1 2 218.235 1.437 20 0 BDADLO Cc1cc(C)nc(N2CCn3c[nH+]cc3C2)n1 ZINC000290724929 132217406 /nfs/dbraw/zinc/21/74/06/132217406.db2.gz PVYKVCUSUXDFSE-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO Cc1cc(N2CCCC[C@@H]2CCO)nc[nH+]1 ZINC000040727700 132224394 /nfs/dbraw/zinc/22/43/94/132224394.db2.gz DYSAWJJELCCTQU-LLVKDONJSA-N 1 2 221.304 1.526 20 0 BDADLO Cc1cc(N2CCC(=O)[C@H](C)C2)nc[nH+]1 ZINC000302598816 132224880 /nfs/dbraw/zinc/22/48/80/132224880.db2.gz XYKCKGBYUKPPLH-MRVPVSSYSA-N 1 2 205.261 1.200 20 0 BDADLO c1csc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000060846395 132238762 /nfs/dbraw/zinc/23/87/62/132238762.db2.gz KWJNHJXDMMYENM-UHFFFAOYSA-N 1 2 246.339 1.865 20 0 BDADLO C[C@H]1COCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000334062043 132246935 /nfs/dbraw/zinc/24/69/35/132246935.db2.gz ZAQPKUFYDSJSFR-VIFPVBQESA-N 1 2 234.303 1.276 20 0 BDADLO C[C@H]1COCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000334062043 132246936 /nfs/dbraw/zinc/24/69/36/132246936.db2.gz ZAQPKUFYDSJSFR-VIFPVBQESA-N 1 2 234.303 1.276 20 0 BDADLO O=C1NCCN1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301252189 132252149 /nfs/dbraw/zinc/25/21/49/132252149.db2.gz DNOZFXLVIZNPHV-NSHDSACASA-N 1 2 246.314 1.076 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)C[C@@H](C)O1 ZINC000301233546 132252360 /nfs/dbraw/zinc/25/23/60/132252360.db2.gz GNQFBLYAUYHVFA-MNOVXSKESA-N 1 2 221.304 1.789 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000301953274 132258927 /nfs/dbraw/zinc/25/89/27/132258927.db2.gz HVEMKWRHCZIHJU-UFBFGSQYSA-N 1 2 235.331 1.609 20 0 BDADLO Cc1nc(N2CC[C@@H](O)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000302377867 132263207 /nfs/dbraw/zinc/26/32/07/132263207.db2.gz GENWNVVZEIRGIQ-PRHODGIISA-N 1 2 235.331 1.609 20 0 BDADLO Cc1cc(N2CCNC(=O)[C@@H]2CC(C)C)nc[nH+]1 ZINC000302516962 132264227 /nfs/dbraw/zinc/26/42/27/132264227.db2.gz VSXVTNQZOPADML-NSHDSACASA-N 1 2 248.330 1.136 20 0 BDADLO Cc1nc(N2CCn3cnnc3C2)c(C)c(C)[nH+]1 ZINC000354428300 132269617 /nfs/dbraw/zinc/26/96/17/132269617.db2.gz CHEUBRNPKNKLTQ-UHFFFAOYSA-N 1 2 244.302 1.014 20 0 BDADLO Cc1nc(N2CC[C@H]3OCC[C@H]3C2)cc[nH+]1 ZINC000369692157 132284526 /nfs/dbraw/zinc/28/45/26/132284526.db2.gz HVCHOBKHSBIIEF-WDEREUQCSA-N 1 2 219.288 1.400 20 0 BDADLO OC1CCN(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000370611997 132284929 /nfs/dbraw/zinc/28/49/29/132284929.db2.gz GZKPELZZEIXWKF-UHFFFAOYSA-N 1 2 244.298 1.228 20 0 BDADLO CCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616941 132300099 /nfs/dbraw/zinc/30/00/99/132300099.db2.gz JETVOFJDIZNZDI-UHFFFAOYSA-N 1 2 247.342 1.967 20 0 BDADLO C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC000049356718 132355800 /nfs/dbraw/zinc/35/58/00/132355800.db2.gz ANKBLYRBDZNZQZ-SNVBAGLBSA-N 1 2 249.314 1.113 20 0 BDADLO COCC1(C)CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000335788723 133907465 /nfs/dbraw/zinc/90/74/65/133907465.db2.gz ABTOQYBANXLSIE-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO O=C(Nc1ccc(O)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335842140 133936770 /nfs/dbraw/zinc/93/67/70/133936770.db2.gz FRPRIPCJUFHJEY-SECBINFHSA-N 1 2 242.225 1.328 20 0 BDADLO Cc1cc(NC(=O)N2CCC23CCC3)cc[nH+]1 ZINC000335940802 134016946 /nfs/dbraw/zinc/01/69/46/134016946.db2.gz VWFTUKVWMWQEJL-UHFFFAOYSA-N 1 2 231.299 1.972 20 0 BDADLO c1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000335944435 134019583 /nfs/dbraw/zinc/01/95/83/134019583.db2.gz YEQJYEJISHGKGD-DTORHVGOSA-N 1 2 210.302 1.506 20 0 BDADLO c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000335944435 134019584 /nfs/dbraw/zinc/01/95/84/134019584.db2.gz YEQJYEJISHGKGD-DTORHVGOSA-N 1 2 210.302 1.506 20 0 BDADLO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335947700 134021135 /nfs/dbraw/zinc/02/11/35/134021135.db2.gz HOPAERSAVFHTNU-ZETCQYMHSA-N 1 2 243.694 1.176 20 0 BDADLO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335947700 134021136 /nfs/dbraw/zinc/02/11/36/134021136.db2.gz HOPAERSAVFHTNU-ZETCQYMHSA-N 1 2 243.694 1.176 20 0 BDADLO O=C1CC[N@H+](Cc2ccc(Cl)cn2)CCN1 ZINC000335964401 134027684 /nfs/dbraw/zinc/02/76/84/134027684.db2.gz DLKHJVNPVUPZII-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc(Cl)cn2)CCN1 ZINC000335964401 134027685 /nfs/dbraw/zinc/02/76/85/134027685.db2.gz DLKHJVNPVUPZII-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC=C(F)C1 ZINC000335967284 134028519 /nfs/dbraw/zinc/02/85/19/134028519.db2.gz BUIUNYDCBWJUPR-SNVBAGLBSA-N 1 2 249.289 1.531 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1ccncc1 ZINC000335971629 134029957 /nfs/dbraw/zinc/02/99/57/134029957.db2.gz IAGRKMUVJGJQPS-UHFFFAOYSA-N 1 2 227.267 1.388 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1=CCC1 ZINC000335974775 134031046 /nfs/dbraw/zinc/03/10/46/134031046.db2.gz HRSJLIZIMGDWPX-UHFFFAOYSA-N 1 2 217.272 1.806 20 0 BDADLO Cc1nnc([C@H]2C[N@H+](CC[C@@H](C)F)CCO2)[nH]1 ZINC000352043409 134045702 /nfs/dbraw/zinc/04/57/02/134045702.db2.gz CZEMJASLQRAXHX-PSASIEDQSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nnc([C@H]2C[N@@H+](CC[C@@H](C)F)CCO2)[nH]1 ZINC000352043409 134045703 /nfs/dbraw/zinc/04/57/03/134045703.db2.gz CZEMJASLQRAXHX-PSASIEDQSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CC[C@@H](C)F)CCO2)n[nH]1 ZINC000352043409 134045704 /nfs/dbraw/zinc/04/57/04/134045704.db2.gz CZEMJASLQRAXHX-PSASIEDQSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CC[C@@H](C)F)CCO2)n[nH]1 ZINC000352043409 134045705 /nfs/dbraw/zinc/04/57/05/134045705.db2.gz CZEMJASLQRAXHX-PSASIEDQSA-N 1 2 242.298 1.235 20 0 BDADLO Cn1cc[nH+]c1CN1CC2(CCC2(F)F)C1 ZINC000336017892 134053734 /nfs/dbraw/zinc/05/37/34/134053734.db2.gz CASHQUDBHDQLDQ-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO O=C([C@H]1CC12CCCC2)N1CCn2c[nH+]cc2C1 ZINC000336022316 134055768 /nfs/dbraw/zinc/05/57/68/134055768.db2.gz RSWNDEAZJWCLBL-GFCCVEGCSA-N 1 2 245.326 1.806 20 0 BDADLO CC(C)(C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022429 134056096 /nfs/dbraw/zinc/05/60/96/134056096.db2.gz UGVSIFKMKFAYPX-MRVPVSSYSA-N 1 2 236.319 1.365 20 0 BDADLO O=C([C@@H]1C[C@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000336022550 134056205 /nfs/dbraw/zinc/05/62/05/134056205.db2.gz IGCGIGADBWIRKP-NWDGAFQWSA-N 1 2 231.299 1.271 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352097295 134063927 /nfs/dbraw/zinc/06/39/27/134063927.db2.gz QVKOCZBQRDPXQW-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352097295 134063928 /nfs/dbraw/zinc/06/39/28/134063928.db2.gz QVKOCZBQRDPXQW-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000352097296 134063969 /nfs/dbraw/zinc/06/39/69/134063969.db2.gz QVKOCZBQRDPXQW-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000352097296 134063970 /nfs/dbraw/zinc/06/39/70/134063970.db2.gz QVKOCZBQRDPXQW-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)no1 ZINC000336056763 134066964 /nfs/dbraw/zinc/06/69/64/134066964.db2.gz BZKNNDKHLKBPGS-GWCFXTLKSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)no1 ZINC000336056763 134066965 /nfs/dbraw/zinc/06/69/65/134066965.db2.gz BZKNNDKHLKBPGS-GWCFXTLKSA-N 1 2 236.315 1.982 20 0 BDADLO C[C@H]1C[NH+](Cc2ccco2)C[C@H](C)S1=O ZINC000336089550 134077957 /nfs/dbraw/zinc/07/79/57/134077957.db2.gz HUYCPYADYIUFRE-UWVGGRQHSA-N 1 2 227.329 1.621 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H](C)[S@@]1=O ZINC000336089549 134077982 /nfs/dbraw/zinc/07/79/82/134077982.db2.gz HUYCPYADYIUFRE-KEODLESXSA-N 1 2 227.329 1.621 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccco2)C[C@H](C)[S@@]1=O ZINC000336089549 134077983 /nfs/dbraw/zinc/07/79/83/134077983.db2.gz HUYCPYADYIUFRE-KEODLESXSA-N 1 2 227.329 1.621 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC(C)=C[C@@H](C)C2)on1 ZINC000336113474 134087417 /nfs/dbraw/zinc/08/74/17/134087417.db2.gz UILOYSAQSBAFAQ-SECBINFHSA-N 1 2 249.314 1.820 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC(C)=C[C@@H](C)C2)on1 ZINC000336113474 134087418 /nfs/dbraw/zinc/08/74/18/134087418.db2.gz UILOYSAQSBAFAQ-SECBINFHSA-N 1 2 249.314 1.820 20 0 BDADLO Cc1ccnc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000352219848 134108919 /nfs/dbraw/zinc/10/89/19/134108919.db2.gz FQHOSMWKFZTWLM-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000352219848 134108920 /nfs/dbraw/zinc/10/89/20/134108920.db2.gz FQHOSMWKFZTWLM-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CSC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000352237767 134118303 /nfs/dbraw/zinc/11/83/03/134118303.db2.gz OHDCGGHZKBDYJO-SECBINFHSA-N 1 2 239.344 1.283 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)n1 ZINC000336180252 134119460 /nfs/dbraw/zinc/11/94/60/134119460.db2.gz UPKDBKKUVINYKX-GFCCVEGCSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)n1 ZINC000336180252 134119461 /nfs/dbraw/zinc/11/94/61/134119461.db2.gz UPKDBKKUVINYKX-GFCCVEGCSA-N 1 2 233.315 1.053 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCn2ncnc2C1 ZINC000352265864 134128809 /nfs/dbraw/zinc/12/88/09/134128809.db2.gz LAKIZEFSYXTFCR-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCn2ncnc2C1 ZINC000352265864 134128810 /nfs/dbraw/zinc/12/88/10/134128810.db2.gz LAKIZEFSYXTFCR-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)CC1(C)C ZINC000336207276 134132664 /nfs/dbraw/zinc/13/26/64/134132664.db2.gz WMMXJNBXQRFRAF-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cs1 ZINC000336207493 134132912 /nfs/dbraw/zinc/13/29/12/134132912.db2.gz UNOFYPAXGMALMC-SNVBAGLBSA-N 1 2 248.298 1.653 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@](O)(C(F)F)C2)cs1 ZINC000336207493 134132913 /nfs/dbraw/zinc/13/29/13/134132913.db2.gz UNOFYPAXGMALMC-SNVBAGLBSA-N 1 2 248.298 1.653 20 0 BDADLO C[C@@H]1C[N@H+](Cc2coc3ccccc23)CC(=O)N1 ZINC000336218268 134137919 /nfs/dbraw/zinc/13/79/19/134137919.db2.gz SZAQVBBKFRJAFJ-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CC(=O)N1 ZINC000336218268 134137920 /nfs/dbraw/zinc/13/79/20/134137920.db2.gz SZAQVBBKFRJAFJ-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccncc2F)[C@H]1C ZINC000336219938 134138769 /nfs/dbraw/zinc/13/87/69/134138769.db2.gz RIYVKMSSSHLRQY-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccncc2F)[C@H]1C ZINC000336219938 134138770 /nfs/dbraw/zinc/13/87/70/134138770.db2.gz RIYVKMSSSHLRQY-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000168868173 134247263 /nfs/dbraw/zinc/24/72/63/134247263.db2.gz BHTSTTSTUCXUSK-UWVGGRQHSA-N 1 2 240.347 1.201 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000168868173 134247264 /nfs/dbraw/zinc/24/72/64/134247264.db2.gz BHTSTTSTUCXUSK-UWVGGRQHSA-N 1 2 240.347 1.201 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000168886135 134247381 /nfs/dbraw/zinc/24/73/81/134247381.db2.gz BVEGUAPVHSZCDM-GHMZBOCLSA-N 1 2 240.347 1.202 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000168886135 134247382 /nfs/dbraw/zinc/24/73/82/134247382.db2.gz BVEGUAPVHSZCDM-GHMZBOCLSA-N 1 2 240.347 1.202 20 0 BDADLO C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CCC1=O ZINC000169137008 134249269 /nfs/dbraw/zinc/24/92/69/134249269.db2.gz ZJHPXBLLMXLQDW-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CCC1=O ZINC000169137008 134249270 /nfs/dbraw/zinc/24/92/70/134249270.db2.gz ZJHPXBLLMXLQDW-SNVBAGLBSA-N 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1.870 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccs1)C(=O)N(C)C ZINC000070733131 135010445 /nfs/dbraw/zinc/01/04/45/135010445.db2.gz TZMVYYYNATUOMW-HTQZYQBOSA-N 1 2 227.333 1.270 20 0 BDADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NC2CC2)n1 ZINC000070733586 135011613 /nfs/dbraw/zinc/01/16/13/135011613.db2.gz CBEBFRNAFPWVCQ-MRVPVSSYSA-N 1 2 239.344 1.381 20 0 BDADLO CCn1cc[nH+]c1CN(C)[C@H](C)C[S@@](C)=O ZINC000248882326 135024363 /nfs/dbraw/zinc/02/43/63/135024363.db2.gz OYBIZWSDGNJADH-QLJPJBMISA-N 1 2 243.376 1.102 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000249272197 135036956 /nfs/dbraw/zinc/03/69/56/135036956.db2.gz KSABQQZSKUZJDD-YPMHNXCESA-N 1 2 238.331 1.433 20 0 BDADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000249272197 135036958 /nfs/dbraw/zinc/03/69/58/135036958.db2.gz KSABQQZSKUZJDD-YPMHNXCESA-N 1 2 238.331 1.433 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000084081799 135181867 /nfs/dbraw/zinc/18/18/67/135181867.db2.gz WNBYTVAYPQEZTD-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000084081799 135181868 /nfs/dbraw/zinc/18/18/68/135181868.db2.gz WNBYTVAYPQEZTD-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO O=C(Cc1ccccc1)NCc1c[nH+]c[nH]1 ZINC000084081778 135181894 /nfs/dbraw/zinc/18/18/94/135181894.db2.gz CYFYINNDAJFRCG-UHFFFAOYSA-N 1 2 215.256 1.269 20 0 BDADLO O=C(Cc1ccccc1)NCc1c[nH]c[nH+]1 ZINC000084081778 135181895 /nfs/dbraw/zinc/18/18/95/135181895.db2.gz CYFYINNDAJFRCG-UHFFFAOYSA-N 1 2 215.256 1.269 20 0 BDADLO COCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000084227224 135193453 /nfs/dbraw/zinc/19/34/53/135193453.db2.gz HVYSKFNPHXXEGF-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO COCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000084227224 135193455 /nfs/dbraw/zinc/19/34/55/135193455.db2.gz HVYSKFNPHXXEGF-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H]1CSC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000342319691 135264002 /nfs/dbraw/zinc/26/40/02/135264002.db2.gz NMJIMSNAFJSVBD-VHSXEESVSA-N 1 2 239.344 1.141 20 0 BDADLO CCc1nc(N2CCOC[C@H]2CC)cc(C)[nH+]1 ZINC000342421982 135267545 /nfs/dbraw/zinc/26/75/45/135267545.db2.gz YBSLHAFIXMOYPQ-LLVKDONJSA-N 1 2 235.331 1.963 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000342461151 135277205 /nfs/dbraw/zinc/27/72/05/135277205.db2.gz VFYCCGSRZOCTBC-HTQZYQBOSA-N 1 2 234.303 1.524 20 0 BDADLO COCC[N@H+](C)Cc1ncc(COC)s1 ZINC000342628572 135297553 /nfs/dbraw/zinc/29/75/53/135297553.db2.gz ZTUOYUBUEXEVCS-UHFFFAOYSA-N 1 2 230.333 1.368 20 0 BDADLO COCC[N@@H+](C)Cc1ncc(COC)s1 ZINC000342628572 135297554 /nfs/dbraw/zinc/29/75/54/135297554.db2.gz ZTUOYUBUEXEVCS-UHFFFAOYSA-N 1 2 230.333 1.368 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000342638008 135299123 /nfs/dbraw/zinc/29/91/23/135299123.db2.gz UJIQOYBBHULQPZ-SKDRFNHKSA-N 1 2 221.304 1.804 20 0 BDADLO COCc1cnc(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000342678893 135304608 /nfs/dbraw/zinc/30/46/08/135304608.db2.gz AIOYGEWALJRUSA-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@H+]2CCC[C@@H](O)C2)s1 ZINC000342678893 135304610 /nfs/dbraw/zinc/30/46/10/135304610.db2.gz AIOYGEWALJRUSA-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]cc(C)n2C)no1 ZINC000342782028 135317475 /nfs/dbraw/zinc/31/74/75/135317475.db2.gz NNYAVUAVCSQZJH-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H]3CCC[C@@H]32)n1C ZINC000342791656 135319807 /nfs/dbraw/zinc/31/98/07/135319807.db2.gz OTIVGFYJNMCBIL-QWRGUYRKSA-N 1 2 205.305 1.713 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@@H](C)O ZINC000342799146 135321034 /nfs/dbraw/zinc/32/10/34/135321034.db2.gz HNZZYXGMMSUDBE-HBNTYKKESA-N 1 2 245.363 1.713 20 0 BDADLO Cc1c[nH+]c(CN2CCC23CCC3)n1C ZINC000342801822 135322011 /nfs/dbraw/zinc/32/20/11/135322011.db2.gz ZEINYYISUOTIOK-UHFFFAOYSA-N 1 2 205.305 1.857 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cncc(F)c1 ZINC000334165904 135323677 /nfs/dbraw/zinc/32/36/77/135323677.db2.gz AJDJPUCWBSPNNT-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cncc(F)c1 ZINC000334165904 135323678 /nfs/dbraw/zinc/32/36/78/135323678.db2.gz AJDJPUCWBSPNNT-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO O=C(Nc1ccc(F)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262921504 135324186 /nfs/dbraw/zinc/32/41/86/135324186.db2.gz GZCDYHBZXXDCBL-SECBINFHSA-N 1 2 244.216 1.761 20 0 BDADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cncs1 ZINC000334168274 135324461 /nfs/dbraw/zinc/32/44/61/135324461.db2.gz AWVRYLVCGBYGCW-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cncs1 ZINC000334168274 135324462 /nfs/dbraw/zinc/32/44/62/135324462.db2.gz AWVRYLVCGBYGCW-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263012189 135326373 /nfs/dbraw/zinc/32/63/73/135326373.db2.gz PWRFWORXHHNSNH-ZJUUUORDSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263097228 135332655 /nfs/dbraw/zinc/33/26/55/135332655.db2.gz ZAALNROYSTYHQK-KXUCPTDWSA-N 1 2 246.301 1.488 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263115304 135334255 /nfs/dbraw/zinc/33/42/55/135334255.db2.gz APCUTFUPIOGTNF-GUBZILKMSA-N 1 2 246.301 1.679 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C(F)(F)F)CC2)c[nH+]1 ZINC000342950285 135338409 /nfs/dbraw/zinc/33/84/09/135338409.db2.gz HDDNUZILBGOCOO-UHFFFAOYSA-N 1 2 247.220 1.790 20 0 BDADLO Cc1ocnc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334280140 135338755 /nfs/dbraw/zinc/33/87/55/135338755.db2.gz GOWQLOZQLZJUPG-SECBINFHSA-N 1 2 246.270 1.683 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263216195 135340276 /nfs/dbraw/zinc/34/02/76/135340276.db2.gz KXPLOYGRHSZUTA-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000263224175 135340746 /nfs/dbraw/zinc/34/07/46/135340746.db2.gz MODCUOKAAIUACF-BBBLOLIVSA-N 1 2 244.285 1.242 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000334334224 135362391 /nfs/dbraw/zinc/36/23/91/135362391.db2.gz WWRNTIHLXPGEQJ-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000334334224 135362392 /nfs/dbraw/zinc/36/23/92/135362392.db2.gz WWRNTIHLXPGEQJ-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)n1 ZINC000334389678 135383425 /nfs/dbraw/zinc/38/34/25/135383425.db2.gz SIJOZUNNKZACAB-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)n1 ZINC000334389678 135383426 /nfs/dbraw/zinc/38/34/26/135383426.db2.gz SIJOZUNNKZACAB-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000334390800 135385223 /nfs/dbraw/zinc/38/52/23/135385223.db2.gz UGJGUPJPIJKCHW-SNVBAGLBSA-N 1 2 244.298 1.288 20 0 BDADLO COC(=O)CCSc1nc(N)cc(C)[nH+]1 ZINC000078342750 135393192 /nfs/dbraw/zinc/39/31/92/135393192.db2.gz BBUMTEBJIQLJFN-UHFFFAOYSA-N 1 2 227.289 1.022 20 0 BDADLO C[C@H]1COCC[N@H+](CC(=O)c2cccn2C)C1 ZINC000334165130 135398139 /nfs/dbraw/zinc/39/81/39/135398139.db2.gz ACRVHUGGFNNTMB-LLVKDONJSA-N 1 2 236.315 1.176 20 0 BDADLO C[C@H]1COCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000334165130 135398140 /nfs/dbraw/zinc/39/81/40/135398140.db2.gz ACRVHUGGFNNTMB-LLVKDONJSA-N 1 2 236.315 1.176 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334416593 135398645 /nfs/dbraw/zinc/39/86/45/135398645.db2.gz OFABGNFSKLSWRI-YPMHNXCESA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334416593 135398646 /nfs/dbraw/zinc/39/86/46/135398646.db2.gz OFABGNFSKLSWRI-YPMHNXCESA-N 1 2 235.331 1.482 20 0 BDADLO CC1CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000334870532 135829199 /nfs/dbraw/zinc/82/91/99/135829199.db2.gz LXWKLYNMFWAXFC-UHFFFAOYSA-N 1 2 229.283 1.355 20 0 BDADLO Cc1cc(CNc2cc[nH+]cc2F)n(C)n1 ZINC000334908650 135839409 /nfs/dbraw/zinc/83/94/09/135839409.db2.gz HRAAZVHUVJFPGD-UHFFFAOYSA-N 1 2 220.251 1.297 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000334942507 135847088 /nfs/dbraw/zinc/84/70/88/135847088.db2.gz JIMVBOGEFYSMAM-ZYHUDNBSSA-N 1 2 247.342 1.782 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347711406 136002802 /nfs/dbraw/zinc/00/28/02/136002802.db2.gz XRRIANKRNBLNOH-VIFPVBQESA-N 1 2 231.246 1.235 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347711406 136002803 /nfs/dbraw/zinc/00/28/03/136002803.db2.gz XRRIANKRNBLNOH-VIFPVBQESA-N 1 2 231.246 1.235 20 0 BDADLO COc1ncc(COCc2[nH]cc[nH+]2)c(C)n1 ZINC000347773035 136009014 /nfs/dbraw/zinc/00/90/14/136009014.db2.gz DBWNASLHLCXZQT-UHFFFAOYSA-N 1 2 234.259 1.234 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000347742499 136010991 /nfs/dbraw/zinc/01/09/91/136010991.db2.gz YVUSFEUAQDRBJM-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCC(=O)CCC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000347742499 136010992 /nfs/dbraw/zinc/01/09/92/136010992.db2.gz YVUSFEUAQDRBJM-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2cc[nH]n2)cn1 ZINC000347807745 136013103 /nfs/dbraw/zinc/01/31/03/136013103.db2.gz HGSZNIJLBORNBN-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cn1 ZINC000347807745 136013104 /nfs/dbraw/zinc/01/31/04/136013104.db2.gz HGSZNIJLBORNBN-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccco1 ZINC000347999644 136020426 /nfs/dbraw/zinc/02/04/26/136020426.db2.gz JHWWKGMXDJBDGF-VIFPVBQESA-N 1 2 247.302 1.527 20 0 BDADLO c1cc(C[N@@H+]2CCOCC3(CC3)C2)no1 ZINC000335315118 136024429 /nfs/dbraw/zinc/02/44/29/136024429.db2.gz CTUJSLZNPYHLEP-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO c1cc(C[N@H+]2CCOCC3(CC3)C2)no1 ZINC000335315118 136024430 /nfs/dbraw/zinc/02/44/30/136024430.db2.gz CTUJSLZNPYHLEP-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000335317686 136025610 /nfs/dbraw/zinc/02/56/10/136025610.db2.gz PVWVAUBVIUAJSI-VIFPVBQESA-N 1 2 224.304 1.555 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCO[C@@H](C)C1 ZINC000335317686 136025611 /nfs/dbraw/zinc/02/56/11/136025611.db2.gz PVWVAUBVIUAJSI-VIFPVBQESA-N 1 2 224.304 1.555 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](O)CCC(C)C)C1CC1 ZINC000348186046 136037994 /nfs/dbraw/zinc/03/79/94/136037994.db2.gz DJMODWVSDYKEHT-NEPJUHHUSA-N 1 2 243.347 1.325 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@@](=O)CC2(C)C)O1 ZINC000348185229 136044756 /nfs/dbraw/zinc/04/47/56/136044756.db2.gz BBEISQBHYQCZII-GLKRBJQHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@@](=O)CC2(C)C)O1 ZINC000348185229 136044757 /nfs/dbraw/zinc/04/47/57/136044757.db2.gz BBEISQBHYQCZII-GLKRBJQHSA-N 1 2 245.388 1.397 20 0 BDADLO OC[C@@H]1CC[C@@H](CNc2cccc[nH+]2)O1 ZINC000348213713 136046358 /nfs/dbraw/zinc/04/63/58/136046358.db2.gz ADNKAJGKRJJMDX-UWVGGRQHSA-N 1 2 208.261 1.033 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000335324492 136051529 /nfs/dbraw/zinc/05/15/29/136051529.db2.gz VGVZONUZVUAHQE-MFKMUULPSA-N 1 2 232.283 1.177 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335331069 136053568 /nfs/dbraw/zinc/05/35/68/136053568.db2.gz UNYMNEZVSXGKAT-SNVBAGLBSA-N 1 2 233.315 1.888 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335331069 136053569 /nfs/dbraw/zinc/05/35/69/136053569.db2.gz UNYMNEZVSXGKAT-SNVBAGLBSA-N 1 2 233.315 1.888 20 0 BDADLO CC(C)(C(=O)NC1CCCC1)[NH+]1CCOCC1 ZINC000335331129 136053766 /nfs/dbraw/zinc/05/37/66/136053766.db2.gz YLUATECOHACGHA-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)nn1C ZINC000348243157 136056106 /nfs/dbraw/zinc/05/61/06/136056106.db2.gz SEGZNNKMGSLDET-BXUZGUMPSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)nn1C ZINC000348243157 136056107 /nfs/dbraw/zinc/05/61/07/136056107.db2.gz SEGZNNKMGSLDET-BXUZGUMPSA-N 1 2 249.358 1.728 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C[C@@H]1C[C@@H]1C ZINC000348275095 136059093 /nfs/dbraw/zinc/05/90/93/136059093.db2.gz BWKPCLCCGNCMCK-UWVGGRQHSA-N 1 2 234.299 1.753 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C[C@H]1C[C@H]1C ZINC000348275094 136059354 /nfs/dbraw/zinc/05/93/54/136059354.db2.gz BWKPCLCCGNCMCK-NXEZZACHSA-N 1 2 234.299 1.753 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)NCCn2cc[nH+]c2)C1 ZINC000335342109 136064174 /nfs/dbraw/zinc/06/41/74/136064174.db2.gz CRCBGDWICLKZBW-MNOVXSKESA-N 1 2 236.319 1.323 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(C2CC2)nn1C ZINC000335349788 136068350 /nfs/dbraw/zinc/06/83/50/136068350.db2.gz LGPOMNXXBVPTCJ-IUCAKERBSA-N 1 2 220.320 1.675 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cnn(C)c2)nn1C ZINC000348321616 136068978 /nfs/dbraw/zinc/06/89/78/136068978.db2.gz MZYYLEDXXNUMKP-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO COCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000335354034 136070626 /nfs/dbraw/zinc/07/06/26/136070626.db2.gz IGESOHJMVXNVJY-UHFFFAOYSA-N 1 2 225.263 1.667 20 0 BDADLO COCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000335354034 136070627 /nfs/dbraw/zinc/07/06/27/136070627.db2.gz IGESOHJMVXNVJY-UHFFFAOYSA-N 1 2 225.263 1.667 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]2(C)CC=CCC2)c[nH+]1 ZINC000335359599 136075590 /nfs/dbraw/zinc/07/55/90/136075590.db2.gz TYRRAAFEYATMEG-GFCCVEGCSA-N 1 2 219.288 1.947 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccc(C)o1 ZINC000348334102 136075597 /nfs/dbraw/zinc/07/55/97/136075597.db2.gz NRUUKKZKMLMGHR-UHFFFAOYSA-N 1 2 246.266 1.922 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2ccnn2C)c1 ZINC000348401437 136076813 /nfs/dbraw/zinc/07/68/13/136076813.db2.gz KXLUGPUBXZJJQC-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CC1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000335366760 136081955 /nfs/dbraw/zinc/08/19/55/136081955.db2.gz NXVCEZWCDJONRL-UHFFFAOYSA-N 1 2 241.294 1.964 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H]2CO[C@@H](C)C2)c(C)[nH+]1 ZINC000335391549 136090798 /nfs/dbraw/zinc/09/07/98/136090798.db2.gz YORPYBQUQFUWKZ-ONGXEEELSA-N 1 2 249.314 1.997 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)CC[C@@H]1O ZINC000335395731 136092690 /nfs/dbraw/zinc/09/26/90/136092690.db2.gz PMGIVQBHLXEHSR-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)CC[C@@H]1O ZINC000335395731 136092691 /nfs/dbraw/zinc/09/26/91/136092691.db2.gz PMGIVQBHLXEHSR-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H](NCc1[nH]cc[nH+]1)c1nc(C(C)(C)C)no1 ZINC000348552384 136096406 /nfs/dbraw/zinc/09/64/06/136096406.db2.gz VLXGISBSDIBZBN-MRVPVSSYSA-N 1 2 249.318 1.941 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335549801 136097659 /nfs/dbraw/zinc/09/76/59/136097659.db2.gz VWNWJMIXDUDRKJ-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO CC1=CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335553852 136098945 /nfs/dbraw/zinc/09/89/45/136098945.db2.gz PYURLTYOZSJCIR-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@@H](O)C[C@@H]2C)nn1C ZINC000335556666 136099510 /nfs/dbraw/zinc/09/95/10/136099510.db2.gz BHYOUYPHYMYNER-CBAPKCEASA-N 1 2 243.738 1.337 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)nn1C ZINC000335556666 136099511 /nfs/dbraw/zinc/09/95/11/136099511.db2.gz BHYOUYPHYMYNER-CBAPKCEASA-N 1 2 243.738 1.337 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335558066 136100543 /nfs/dbraw/zinc/10/05/43/136100543.db2.gz KGMNSWBOCSZFNT-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H]1C[C@@H](CO)CN(c2cccc[nH+]2)C1 ZINC000335569742 136108939 /nfs/dbraw/zinc/10/89/39/136108939.db2.gz SHTLSJLHIYZCGQ-WDEREUQCSA-N 1 2 206.289 1.536 20 0 BDADLO CCCC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000348636095 136114306 /nfs/dbraw/zinc/11/43/06/136114306.db2.gz QLVPQKDIIQBQKJ-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CC(C)n1cc(C[N@H+](C)[C@@H]2CCCOC2)nn1 ZINC000348710196 136117033 /nfs/dbraw/zinc/11/70/33/136117033.db2.gz NUXJGVVZTJYKHI-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)[C@@H]2CCCOC2)nn1 ZINC000348710196 136117034 /nfs/dbraw/zinc/11/70/34/136117034.db2.gz NUXJGVVZTJYKHI-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO c1cc2c(c(C[NH2+]Cc3cnccn3)c1)OCO2 ZINC000054766608 322857544 /nfs/dbraw/zinc/85/75/44/322857544.db2.gz PVYDDRDNHFUKNB-UHFFFAOYSA-N 1 2 243.266 1.495 20 0 BDADLO CCOC(=O)CCNc1nc[nH+]c2c1CCC2 ZINC000061276159 322858713 /nfs/dbraw/zinc/85/87/13/322858713.db2.gz NTVAAABVAOLTFA-UHFFFAOYSA-N 1 2 235.287 1.330 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+](C)CC1CC1 ZINC000156231915 397755401 /nfs/dbraw/zinc/75/54/01/397755401.db2.gz OOJPIJNMHCDCEN-GFCCVEGCSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CC1CC1 ZINC000156231915 397755407 /nfs/dbraw/zinc/75/54/07/397755407.db2.gz OOJPIJNMHCDCEN-GFCCVEGCSA-N 1 2 234.299 1.638 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC(=O)N(C)C1CC1 ZINC000190766825 397887079 /nfs/dbraw/zinc/88/70/79/397887079.db2.gz DXDVVUHGLVROIP-UHFFFAOYSA-N 1 2 248.326 1.952 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2ccccn2)[nH]1 ZINC000309600591 397865517 /nfs/dbraw/zinc/86/55/17/397865517.db2.gz JYPAWSXXOOBJIO-QMMMGPOBSA-N 1 2 217.276 1.359 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccncc1 ZINC000186342877 397877263 /nfs/dbraw/zinc/87/72/63/397877263.db2.gz IRJPFPBEALFGII-CYBMUJFWSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccncc1 ZINC000186342877 397877266 /nfs/dbraw/zinc/87/72/66/397877266.db2.gz IRJPFPBEALFGII-CYBMUJFWSA-N 1 2 234.299 1.609 20 0 BDADLO Cc1occc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000414429808 397935661 /nfs/dbraw/zinc/93/56/61/397935661.db2.gz ILNPFWKTUOIKKK-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1occc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000414429808 397935664 /nfs/dbraw/zinc/93/56/64/397935664.db2.gz ILNPFWKTUOIKKK-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000448695350 397936458 /nfs/dbraw/zinc/93/64/58/397936458.db2.gz WAMUTZIKPUFVNV-WCQYABFASA-N 1 2 235.331 1.826 20 0 BDADLO CC[N@H+](CCO)Cc1csc([C@H](C)OC)n1 ZINC000266981094 397941375 /nfs/dbraw/zinc/94/13/75/397941375.db2.gz AKKMLVZILHYABL-VIFPVBQESA-N 1 2 244.360 1.665 20 0 BDADLO CC[N@@H+](CCO)Cc1csc([C@H](C)OC)n1 ZINC000266981094 397941379 /nfs/dbraw/zinc/94/13/79/397941379.db2.gz AKKMLVZILHYABL-VIFPVBQESA-N 1 2 244.360 1.665 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000649550796 397943066 /nfs/dbraw/zinc/94/30/66/397943066.db2.gz SPAILVAQWCHTPA-OCAPTIKFSA-N 1 2 218.260 1.202 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1cccn1C ZINC000649550974 397945757 /nfs/dbraw/zinc/94/57/57/397945757.db2.gz GFKMRSMJEKIBFT-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1cccn1C ZINC000649550974 397945763 /nfs/dbraw/zinc/94/57/63/397945763.db2.gz GFKMRSMJEKIBFT-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)nc1 ZINC000592429348 397949519 /nfs/dbraw/zinc/94/95/19/397949519.db2.gz FBJXNLHTPHPSCJ-LLVKDONJSA-N 1 2 249.314 1.022 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)nc1 ZINC000592429348 397949522 /nfs/dbraw/zinc/94/95/22/397949522.db2.gz FBJXNLHTPHPSCJ-LLVKDONJSA-N 1 2 249.314 1.022 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000336724605 397949493 /nfs/dbraw/zinc/94/94/93/397949493.db2.gz FZOPWUUKGTUMPB-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2ccoc2)n1 ZINC000449020422 397950639 /nfs/dbraw/zinc/95/06/39/397950639.db2.gz ZDDPMTBDXSIJCC-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2ccoc2)n1 ZINC000449020422 397950644 /nfs/dbraw/zinc/95/06/44/397950644.db2.gz ZDDPMTBDXSIJCC-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COC(=O)c1coc(C[N@H+](C)[C@H]2CC2(C)C)n1 ZINC000450869252 397967758 /nfs/dbraw/zinc/96/77/58/397967758.db2.gz BBOVCCSVXWNISL-VIFPVBQESA-N 1 2 238.287 1.692 20 0 BDADLO COC(=O)c1coc(C[N@@H+](C)[C@H]2CC2(C)C)n1 ZINC000450869252 397967759 /nfs/dbraw/zinc/96/77/59/397967759.db2.gz BBOVCCSVXWNISL-VIFPVBQESA-N 1 2 238.287 1.692 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000269150297 397956214 /nfs/dbraw/zinc/95/62/14/397956214.db2.gz NEKLNVRMSGNSGW-UWVGGRQHSA-N 1 2 235.287 1.560 20 0 BDADLO C[C@@H](CC(=O)N1C2CCC1CC2)n1cc[nH+]c1 ZINC000649569560 397958758 /nfs/dbraw/zinc/95/87/58/397958758.db2.gz RCKZTMHQIWMIDU-UNXYVOJBSA-N 1 2 233.315 1.988 20 0 BDADLO CCCc1nsc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000360073265 397961677 /nfs/dbraw/zinc/96/16/77/397961677.db2.gz OOHBLMWZKVARFT-UHFFFAOYSA-N 1 2 237.332 1.850 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)co1 ZINC000590605724 397905706 /nfs/dbraw/zinc/90/57/06/397905706.db2.gz MNEUZAACOVICJF-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@@](C)=O)co1 ZINC000590605724 397905707 /nfs/dbraw/zinc/90/57/07/397905707.db2.gz MNEUZAACOVICJF-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000360307872 397963442 /nfs/dbraw/zinc/96/34/42/397963442.db2.gz CBSJHKCXONSDRQ-UWVGGRQHSA-N 1 2 221.304 1.771 20 0 BDADLO CCCC[C@@H](C(=O)OC)N(C)Cc1c[nH+]c[nH]1 ZINC000595595237 397991578 /nfs/dbraw/zinc/99/15/78/397991578.db2.gz FKGOKNGMOWTVNF-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO CCCC[C@@H](C(=O)OC)N(C)Cc1c[nH]c[nH+]1 ZINC000595595237 397991580 /nfs/dbraw/zinc/99/15/80/397991580.db2.gz FKGOKNGMOWTVNF-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO C[C@@H](CC(=O)NC1CCOCC1)n1cc[nH+]c1 ZINC000649632250 398014536 /nfs/dbraw/zinc/01/45/36/398014536.db2.gz CBNHBSJBSGODLS-JTQLQIEISA-N 1 2 237.303 1.129 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](OC(C)C)C2)o1 ZINC000649698251 398047166 /nfs/dbraw/zinc/04/71/66/398047166.db2.gz VOWXOSWOPRNNIP-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)o1 ZINC000649698251 398047170 /nfs/dbraw/zinc/04/71/70/398047170.db2.gz VOWXOSWOPRNNIP-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccnc1 ZINC000274969861 398017800 /nfs/dbraw/zinc/01/78/00/398017800.db2.gz KJSFDTXTJYVOKO-YPMHNXCESA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccnc1 ZINC000274969861 398017803 /nfs/dbraw/zinc/01/78/03/398017803.db2.gz KJSFDTXTJYVOKO-YPMHNXCESA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC000054937418 398019861 /nfs/dbraw/zinc/01/98/61/398019861.db2.gz CKXRGCXWSCWSEX-MRVPVSSYSA-N 1 2 223.276 1.030 20 0 BDADLO CCOC1CC[NH+](Cc2cnns2)CC1 ZINC000649650051 398021179 /nfs/dbraw/zinc/02/11/79/398021179.db2.gz IGHVQHXGGLABOJ-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CCO[C@H](CC)C(=O)Nc1c[nH+]ccc1OC ZINC000523310702 398028335 /nfs/dbraw/zinc/02/83/35/398028335.db2.gz RRHZLXKEOSHPAN-SNVBAGLBSA-N 1 2 238.287 1.844 20 0 BDADLO OC1(C2CC[NH+](Cc3ncc[nH]3)CC2)CC1 ZINC000649672938 398033386 /nfs/dbraw/zinc/03/33/86/398033386.db2.gz XRVMWRQJIINRQU-UHFFFAOYSA-N 1 2 221.304 1.147 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2nncn2C)ccc1F ZINC000277755383 398033637 /nfs/dbraw/zinc/03/36/37/398033637.db2.gz LVINXIGPMPKHPA-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2nncn2C)ccc1F ZINC000277755383 398033640 /nfs/dbraw/zinc/03/36/40/398033640.db2.gz LVINXIGPMPKHPA-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000649700553 398049316 /nfs/dbraw/zinc/04/93/16/398049316.db2.gz GWPUPHXVRSHBPO-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000649700553 398049317 /nfs/dbraw/zinc/04/93/17/398049317.db2.gz GWPUPHXVRSHBPO-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO Cc1nc(NC[C@@H]2CCCC2(C)C)nc(N)[nH+]1 ZINC000389157943 398038758 /nfs/dbraw/zinc/03/87/58/398038758.db2.gz STXNCYWFLSHEDC-VIFPVBQESA-N 1 2 235.335 1.253 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCCC2(C)C)[nH+]1 ZINC000389157943 398038762 /nfs/dbraw/zinc/03/87/62/398038762.db2.gz STXNCYWFLSHEDC-VIFPVBQESA-N 1 2 235.335 1.253 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C(C)C)C2COC2)o1 ZINC000649694123 398042073 /nfs/dbraw/zinc/04/20/73/398042073.db2.gz MGNSEIFFLMIPLF-UHFFFAOYSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@H+](C(C)C)C2COC2)o1 ZINC000649694123 398042079 /nfs/dbraw/zinc/04/20/79/398042079.db2.gz MGNSEIFFLMIPLF-UHFFFAOYSA-N 1 2 224.304 1.901 20 0 BDADLO Cn1c[nH+]cc1CN1CCCC(F)(F)C1 ZINC000649694019 398042106 /nfs/dbraw/zinc/04/21/06/398042106.db2.gz ZHWSBNWYTWNLKP-UHFFFAOYSA-N 1 2 215.247 1.651 20 0 BDADLO CCOc1cccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000361060951 397973718 /nfs/dbraw/zinc/97/37/18/397973718.db2.gz RFLBNMQSIICPLK-UHFFFAOYSA-N 1 2 246.270 1.133 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCc1ccc[nH]1 ZINC000272290066 397976974 /nfs/dbraw/zinc/97/69/74/397976974.db2.gz PKEYHAUOFGCGQA-UHFFFAOYSA-N 1 2 242.286 1.346 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000649588764 397979592 /nfs/dbraw/zinc/97/95/92/397979592.db2.gz AANXCDIEQPFJCO-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000649588764 397979595 /nfs/dbraw/zinc/97/95/95/397979595.db2.gz AANXCDIEQPFJCO-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cncs2)[C@H]1C ZINC000093417833 397987254 /nfs/dbraw/zinc/98/72/54/397987254.db2.gz UDZJEPPQDAAOKT-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cncs2)[C@H]1C ZINC000093417833 397987258 /nfs/dbraw/zinc/98/72/58/397987258.db2.gz UDZJEPPQDAAOKT-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)nn2)[C@@H](CC)CO1 ZINC000649718760 398059875 /nfs/dbraw/zinc/05/98/75/398059875.db2.gz FYQHTGITTAITDR-RYUDHWBXSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)nn2)[C@@H](CC)CO1 ZINC000649718760 398059877 /nfs/dbraw/zinc/05/98/77/398059877.db2.gz FYQHTGITTAITDR-RYUDHWBXSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nncn1C ZINC000649717219 398062587 /nfs/dbraw/zinc/06/25/87/398062587.db2.gz ZIGZDAVUQUYXOS-SNVBAGLBSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nncn1C ZINC000649717219 398062589 /nfs/dbraw/zinc/06/25/89/398062589.db2.gz ZIGZDAVUQUYXOS-SNVBAGLBSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC000649717642 398064086 /nfs/dbraw/zinc/06/40/86/398064086.db2.gz JHWKKOYCADMKTP-NSHDSACASA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ncccn1 ZINC000649717642 398064088 /nfs/dbraw/zinc/06/40/88/398064088.db2.gz JHWKKOYCADMKTP-NSHDSACASA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)C)[C@@H](C)CO1 ZINC000649730149 398068332 /nfs/dbraw/zinc/06/83/32/398068332.db2.gz MFBGFWXDVSQQDZ-QWRGUYRKSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)C)[C@@H](C)CO1 ZINC000649730149 398068336 /nfs/dbraw/zinc/06/83/36/398068336.db2.gz MFBGFWXDVSQQDZ-QWRGUYRKSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000649732175 398072070 /nfs/dbraw/zinc/07/20/70/398072070.db2.gz TXSRIGDEMUASPB-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000649732175 398072074 /nfs/dbraw/zinc/07/20/74/398072074.db2.gz TXSRIGDEMUASPB-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)[C@@H](C)CO1 ZINC000649734551 398074883 /nfs/dbraw/zinc/07/48/83/398074883.db2.gz YJNIIQGRPBAKFQ-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)[C@@H](C)CO1 ZINC000649734551 398074885 /nfs/dbraw/zinc/07/48/85/398074885.db2.gz YJNIIQGRPBAKFQ-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@@H]1C ZINC000492459467 398077737 /nfs/dbraw/zinc/07/77/37/398077737.db2.gz PRIFXKXIOBUROD-MLRMMBSGSA-N 1 2 233.315 1.927 20 0 BDADLO CC[C@H]1C[N@H+](Cc2snnc2C)[C@H](C)CO1 ZINC000649736891 398078479 /nfs/dbraw/zinc/07/84/79/398078479.db2.gz LXJCLJNFMSSAMD-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2snnc2C)[C@H](C)CO1 ZINC000649736891 398078482 /nfs/dbraw/zinc/07/84/82/398078482.db2.gz LXJCLJNFMSSAMD-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC[C@@H]2C)o1 ZINC000649739598 398079619 /nfs/dbraw/zinc/07/96/19/398079619.db2.gz SQQWZGQHAMYGGX-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC[C@@H]2C)o1 ZINC000649739598 398079621 /nfs/dbraw/zinc/07/96/21/398079621.db2.gz SQQWZGQHAMYGGX-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000602883108 398082129 /nfs/dbraw/zinc/08/21/29/398082129.db2.gz HOWLLQISOTVKPN-CYBMUJFWSA-N 1 2 237.347 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000602883108 398082133 /nfs/dbraw/zinc/08/21/33/398082133.db2.gz HOWLLQISOTVKPN-CYBMUJFWSA-N 1 2 237.347 1.290 20 0 BDADLO CC(C)(C[C@@H]1CCC[N@H+](CC(F)F)C1)C(N)=O ZINC000649773217 398095583 /nfs/dbraw/zinc/09/55/83/398095583.db2.gz SFWMRJXUWQWORY-VIFPVBQESA-N 1 2 248.317 1.865 20 0 BDADLO CC(C)(C[C@@H]1CCC[N@@H+](CC(F)F)C1)C(N)=O ZINC000649773217 398095586 /nfs/dbraw/zinc/09/55/86/398095586.db2.gz SFWMRJXUWQWORY-VIFPVBQESA-N 1 2 248.317 1.865 20 0 BDADLO CO[C@](C)(C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000291588349 398096544 /nfs/dbraw/zinc/09/65/44/398096544.db2.gz ZMVUVENSJFCFDG-ZDUSSCGKSA-N 1 2 249.314 1.040 20 0 BDADLO CO[C@@](C)(CNC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000291577987 398095937 /nfs/dbraw/zinc/09/59/37/398095937.db2.gz YPAFBBRFUNQBKF-LBPRGKRZSA-N 1 2 237.303 1.263 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000649702508 398053064 /nfs/dbraw/zinc/05/30/64/398053064.db2.gz FVWWSQOSXBROGA-LBPRGKRZSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000649702508 398053067 /nfs/dbraw/zinc/05/30/67/398053067.db2.gz FVWWSQOSXBROGA-LBPRGKRZSA-N 1 2 238.335 1.205 20 0 BDADLO CN(Cc1cc[nH]n1)C(=O)CCCn1cc[nH+]c1 ZINC000601677893 398054901 /nfs/dbraw/zinc/05/49/01/398054901.db2.gz UCTWWWOVBHYTBZ-UHFFFAOYSA-N 1 2 247.302 1.045 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000649718081 398059054 /nfs/dbraw/zinc/05/90/54/398059054.db2.gz RPFDMAKFJKYJTM-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000649718081 398059060 /nfs/dbraw/zinc/05/90/60/398059060.db2.gz RPFDMAKFJKYJTM-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000649718083 398059162 /nfs/dbraw/zinc/05/91/62/398059162.db2.gz RPFDMAKFJKYJTM-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000649718083 398059165 /nfs/dbraw/zinc/05/91/65/398059165.db2.gz RPFDMAKFJKYJTM-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cscc2Cl)C[C@H]1O ZINC000648777332 398114643 /nfs/dbraw/zinc/11/46/43/398114643.db2.gz RVIODZRYKNSHAE-NXEZZACHSA-N 1 2 247.747 1.593 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cscc2Cl)C[C@H]1O ZINC000648777332 398114645 /nfs/dbraw/zinc/11/46/45/398114645.db2.gz RVIODZRYKNSHAE-NXEZZACHSA-N 1 2 247.747 1.593 20 0 BDADLO Cc1c[nH]nc1COCc1c[nH+]cn1C ZINC000650346002 398132418 /nfs/dbraw/zinc/13/24/18/398132418.db2.gz LSLUVJGKRNCBGZ-UHFFFAOYSA-N 1 2 206.249 1.168 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000372955535 167020819 /nfs/dbraw/zinc/02/08/19/167020819.db2.gz NWJXRIAQGWSABP-YPMHNXCESA-N 1 2 241.331 1.343 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1noc(C)n1 ZINC000668798730 487557905 /nfs/dbraw/zinc/55/79/05/487557905.db2.gz QNBNZHVXPPVIIC-UHFFFAOYSA-N 1 2 235.291 1.226 20 0 BDADLO CC(C)(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000680290992 487558593 /nfs/dbraw/zinc/55/85/93/487558593.db2.gz QLGOBIKMLWTUFD-NSHDSACASA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)[C@H]1C ZINC000674413375 487571637 /nfs/dbraw/zinc/57/16/37/487571637.db2.gz IHYNNRJHKRDJLO-QWRGUYRKSA-N 1 2 243.314 1.897 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1cscn1 ZINC000229125918 487577030 /nfs/dbraw/zinc/57/70/30/487577030.db2.gz AFBVSXSQHAAQQY-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC000674513060 487585599 /nfs/dbraw/zinc/58/55/99/487585599.db2.gz FWFQVGJFFYHFLN-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC000674513065 487585937 /nfs/dbraw/zinc/58/59/37/487585937.db2.gz FWFQVGJFFYHFLN-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO CN(CC(=O)N1CCCC1)c1cccc[nH+]1 ZINC000057680879 487589874 /nfs/dbraw/zinc/58/98/74/487589874.db2.gz HSPPIAYXKJDDCN-UHFFFAOYSA-N 1 2 219.288 1.140 20 0 BDADLO Cn1cc(CNc2cc3cc[nH]c3c[nH+]2)nn1 ZINC000672250164 487590294 /nfs/dbraw/zinc/59/02/94/487590294.db2.gz UGRVLUZWQAUXRE-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667493981 487590854 /nfs/dbraw/zinc/59/08/54/487590854.db2.gz JSIVXBVGGAJKLH-LBPRGKRZSA-N 1 2 235.331 1.440 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667493981 487590859 /nfs/dbraw/zinc/59/08/59/487590859.db2.gz JSIVXBVGGAJKLH-LBPRGKRZSA-N 1 2 235.331 1.440 20 0 BDADLO Cn1cncc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000685921254 487597539 /nfs/dbraw/zinc/59/75/39/487597539.db2.gz HFLZPBUFDYCIEW-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H](C(C)C)C1CC1 ZINC000324397995 487600886 /nfs/dbraw/zinc/60/08/86/487600886.db2.gz NWXNGKDMMQCQFJ-VIFPVBQESA-N 1 2 236.319 1.914 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H](C(C)C)C1CC1 ZINC000324397995 487600889 /nfs/dbraw/zinc/60/08/89/487600889.db2.gz NWXNGKDMMQCQFJ-VIFPVBQESA-N 1 2 236.319 1.914 20 0 BDADLO CC(C)SCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000286606511 167327861 /nfs/dbraw/zinc/32/78/61/167327861.db2.gz FOIKKERAOPKKNP-ONEGZZNKSA-N 1 2 239.344 1.681 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000651956220 409654286 /nfs/dbraw/zinc/65/42/86/409654286.db2.gz QECLNDNBVMTYKX-SNVBAGLBSA-N 1 2 237.347 1.559 20 0 BDADLO OCCCN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000674747309 487610656 /nfs/dbraw/zinc/61/06/56/487610656.db2.gz RQEIWLPTJZHKQS-UHFFFAOYSA-N 1 2 233.315 1.705 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC12CCC2 ZINC000675322394 487610688 /nfs/dbraw/zinc/61/06/88/487610688.db2.gz AYVBXXXZOFGIFJ-SECBINFHSA-N 1 2 219.288 1.227 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2n[nH]c(=O)o2)n1 ZINC000660844178 409837942 /nfs/dbraw/zinc/83/79/42/409837942.db2.gz KWFVQZDZROUXNU-UHFFFAOYSA-N 1 2 248.286 1.153 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2n[nH]c(=O)o2)n1 ZINC000660844178 409837948 /nfs/dbraw/zinc/83/79/48/409837948.db2.gz KWFVQZDZROUXNU-UHFFFAOYSA-N 1 2 248.286 1.153 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000655339565 409915896 /nfs/dbraw/zinc/91/58/96/409915896.db2.gz LKZYXWBSWPXFAN-UHFFFAOYSA-N 1 2 235.331 1.610 20 0 BDADLO COc1ccnc(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000674752396 487611481 /nfs/dbraw/zinc/61/14/81/487611481.db2.gz PFSCTLWHENHQHI-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ccnc(C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000674752396 487611483 /nfs/dbraw/zinc/61/14/83/487611483.db2.gz PFSCTLWHENHQHI-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2cn[nH]c2)c1 ZINC000674752396 487611487 /nfs/dbraw/zinc/61/14/87/487611487.db2.gz PFSCTLWHENHQHI-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661085035 410148742 /nfs/dbraw/zinc/14/87/42/410148742.db2.gz GTQQFLPHCXHBMX-ZJUUUORDSA-N 1 2 238.335 1.145 20 0 BDADLO C[C@@H](COCC1CC1)[NH2+]Cc1csnn1 ZINC000651982481 410125187 /nfs/dbraw/zinc/12/51/87/410125187.db2.gz ZZGUHGBDQGESBW-QMMMGPOBSA-N 1 2 227.333 1.443 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc(C2CC2)nn1C ZINC000661091627 410165375 /nfs/dbraw/zinc/16/53/75/410165375.db2.gz DDULRLZFYSHXSP-UHFFFAOYSA-N 1 2 246.318 1.048 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc(C2CC2)nn1C ZINC000661091627 410165383 /nfs/dbraw/zinc/16/53/83/410165383.db2.gz DDULRLZFYSHXSP-UHFFFAOYSA-N 1 2 246.318 1.048 20 0 BDADLO CN(Cc1cc2n(n1)CCC2)Cc1c[nH+]c[nH]1 ZINC000661093381 410173136 /nfs/dbraw/zinc/17/31/36/410173136.db2.gz OEMPQYANKXDKFY-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CN(Cc1cc2n(n1)CCC2)Cc1c[nH]c[nH+]1 ZINC000661093381 410173142 /nfs/dbraw/zinc/17/31/42/410173142.db2.gz OEMPQYANKXDKFY-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO O=C1[C@@H](n2cc[nH+]c2)CCN1CC(F)(F)F ZINC000111197023 410219281 /nfs/dbraw/zinc/21/92/81/410219281.db2.gz FXFSUAASMBEZOY-ZETCQYMHSA-N 1 2 233.193 1.219 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000655403452 410208875 /nfs/dbraw/zinc/20/88/75/410208875.db2.gz BULDTTVENAAHNU-IQJOONFLSA-N 1 2 249.314 1.592 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOCCF ZINC000663462178 410256102 /nfs/dbraw/zinc/25/61/02/410256102.db2.gz MVLPWVIGGPBLEU-MRVPVSSYSA-N 1 2 215.272 1.355 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661123812 410278703 /nfs/dbraw/zinc/27/87/03/410278703.db2.gz SKWFKGLPNWNQBK-OPRDCNLKSA-N 1 2 236.319 1.579 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716997 410354882 /nfs/dbraw/zinc/35/48/82/410354882.db2.gz PBJSKLLIHBCVDQ-UHFFFAOYSA-N 1 2 248.305 1.606 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H](C)n3ncnc32)cc[nH+]1 ZINC000664188404 410512323 /nfs/dbraw/zinc/51/23/23/410512323.db2.gz UMYNENXQULSQRO-IONNQARKSA-N 1 2 230.275 1.494 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CC2 ZINC000661340087 410565209 /nfs/dbraw/zinc/56/52/09/410565209.db2.gz HZKIREJQGVANMW-VIFPVBQESA-N 1 2 220.276 1.104 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CC2 ZINC000661340087 410565215 /nfs/dbraw/zinc/56/52/15/410565215.db2.gz HZKIREJQGVANMW-VIFPVBQESA-N 1 2 220.276 1.104 20 0 BDADLO CC(C)CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397681 410613137 /nfs/dbraw/zinc/61/31/37/410613137.db2.gz LHMAOWAQRPBJCR-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397681 410613140 /nfs/dbraw/zinc/61/31/40/410613140.db2.gz LHMAOWAQRPBJCR-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO COCCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661401870 410615654 /nfs/dbraw/zinc/61/56/54/410615654.db2.gz RQRAHQVVNUQHFT-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO COCCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661401870 410615659 /nfs/dbraw/zinc/61/56/59/410615659.db2.gz RQRAHQVVNUQHFT-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1N)c1cscn1 ZINC000661415576 410629907 /nfs/dbraw/zinc/62/99/07/410629907.db2.gz TWLLSKLTCVLPOA-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CC[C@H](C)O2)o1 ZINC000661529347 410730093 /nfs/dbraw/zinc/73/00/93/410730093.db2.gz VZFWVSAEFMKUQY-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CC[C@H](C)O2)o1 ZINC000661529347 410730096 /nfs/dbraw/zinc/73/00/96/410730096.db2.gz VZFWVSAEFMKUQY-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1ncc(C[N@H+]2CC3(CCC3)OC[C@H]2C)cn1 ZINC000661462115 410678462 /nfs/dbraw/zinc/67/84/62/410678462.db2.gz GWQLKMNKAAQQOO-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ncc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)cn1 ZINC000661462115 410678469 /nfs/dbraw/zinc/67/84/69/410678469.db2.gz GWQLKMNKAAQQOO-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO CC(C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650990683 410679589 /nfs/dbraw/zinc/67/95/89/410679589.db2.gz QEGLVGFIQXJNLZ-UHFFFAOYSA-N 1 2 235.331 1.534 20 0 BDADLO Cn1c[nH+]cc1CNc1nc(C2CC2)no1 ZINC000181862253 410681553 /nfs/dbraw/zinc/68/15/53/410681553.db2.gz ZLUQXNNHRGCVFA-UHFFFAOYSA-N 1 2 219.248 1.293 20 0 BDADLO CC(C)CCNC(=O)CCc1c[nH+]cn1C ZINC000276695368 166846026 /nfs/dbraw/zinc/84/60/26/166846026.db2.gz QOTPPQCDOCBUJG-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO C[C@H](CC(=O)Nc1c[nH]ccc1=O)n1cc[nH+]c1 ZINC000651236067 410874214 /nfs/dbraw/zinc/87/42/14/410874214.db2.gz UBXOKNCUMJCOIC-SECBINFHSA-N 1 2 246.270 1.161 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1cncs1 ZINC000120245143 167048000 /nfs/dbraw/zinc/04/80/00/167048000.db2.gz FTUZBASXMSEDSM-UHFFFAOYSA-N 1 2 227.333 1.100 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1cncs1 ZINC000120245143 167048003 /nfs/dbraw/zinc/04/80/03/167048003.db2.gz FTUZBASXMSEDSM-UHFFFAOYSA-N 1 2 227.333 1.100 20 0 BDADLO CC(C)OC(=O)CC[N@H+](C)Cc1ccon1 ZINC000266510184 167154240 /nfs/dbraw/zinc/15/42/40/167154240.db2.gz DHZGPIQMCHYUCO-UHFFFAOYSA-N 1 2 226.276 1.448 20 0 BDADLO CC(C)OC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000266510184 167154241 /nfs/dbraw/zinc/15/42/41/167154241.db2.gz DHZGPIQMCHYUCO-UHFFFAOYSA-N 1 2 226.276 1.448 20 0 BDADLO CC(C)OC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000295238128 167165422 /nfs/dbraw/zinc/16/54/22/167165422.db2.gz XTTFDJJWNYNSLV-LLVKDONJSA-N 1 2 249.314 1.795 20 0 BDADLO CC(C)OCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000049315988 167191785 /nfs/dbraw/zinc/19/17/85/167191785.db2.gz XFCWKMZONAMOAD-UHFFFAOYSA-N 1 2 237.303 1.511 20 0 BDADLO CCCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000651310867 410915585 /nfs/dbraw/zinc/91/55/85/410915585.db2.gz XOQHZTIGWCQUHO-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CC(C)OCCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352762828 167215696 /nfs/dbraw/zinc/21/56/96/167215696.db2.gz YHLAANPDNIGLIN-NHYWBVRUSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OCCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352762828 167215699 /nfs/dbraw/zinc/21/56/99/167215699.db2.gz YHLAANPDNIGLIN-NHYWBVRUSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OCCCNc1nc[nH+]c(N)c1Cl ZINC000278458695 167225233 /nfs/dbraw/zinc/22/52/33/167225233.db2.gz VKFUDJXFZMRFFJ-UHFFFAOYSA-N 1 2 244.726 1.939 20 0 BDADLO CC(C)OCCCNc1[nH+]cnc(N)c1Cl ZINC000278458695 167225235 /nfs/dbraw/zinc/22/52/35/167225235.db2.gz VKFUDJXFZMRFFJ-UHFFFAOYSA-N 1 2 244.726 1.939 20 0 BDADLO CC(C)OCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000353268107 167234883 /nfs/dbraw/zinc/23/48/83/167234883.db2.gz QLJMTGNDQSWXMO-JTQLQIEISA-N 1 2 237.290 1.767 20 0 BDADLO CC(C)OCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353268107 167234884 /nfs/dbraw/zinc/23/48/84/167234884.db2.gz QLJMTGNDQSWXMO-JTQLQIEISA-N 1 2 237.290 1.767 20 0 BDADLO CC(C)OC[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000372115184 167264419 /nfs/dbraw/zinc/26/44/19/167264419.db2.gz AIKSJIVKJMULNS-LBPRGKRZSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)OC[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000372115184 167264423 /nfs/dbraw/zinc/26/44/23/167264423.db2.gz AIKSJIVKJMULNS-LBPRGKRZSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)OCc1nc([C@@H](C)[NH2+]CCCO)no1 ZINC000352707459 167270800 /nfs/dbraw/zinc/27/08/00/167270800.db2.gz RPLIQENQFFSXTN-SECBINFHSA-N 1 2 243.307 1.028 20 0 BDADLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@H](C)O)no1 ZINC000339205495 167271695 /nfs/dbraw/zinc/27/16/95/167271695.db2.gz SDFXZDDEWRQJIF-IUCAKERBSA-N 1 2 243.307 1.026 20 0 BDADLO CC(C)[C@@H](C)CC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000365125025 167355536 /nfs/dbraw/zinc/35/55/36/167355536.db2.gz PADOUNJMRXIEBJ-NSHDSACASA-N 1 2 249.358 1.987 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000263652288 167364297 /nfs/dbraw/zinc/36/42/97/167364297.db2.gz GEVXUTGFRKMNKG-LLVKDONJSA-N 1 2 223.320 1.776 20 0 BDADLO CC(C)[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000047597566 167374568 /nfs/dbraw/zinc/37/45/68/167374568.db2.gz YZLAPQBVHQUZSB-LLVKDONJSA-N 1 2 238.335 1.617 20 0 BDADLO CC(C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000012485272 167387345 /nfs/dbraw/zinc/38/73/45/167387345.db2.gz URDKLOWKPJEQLK-MRVPVSSYSA-N 1 2 219.292 1.820 20 0 BDADLO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1c[nH]nn1)C2 ZINC000398421229 410965247 /nfs/dbraw/zinc/96/52/47/410965247.db2.gz YNEPMANYWXIZBO-NSHDSACASA-N 1 2 248.717 1.715 20 0 BDADLO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1cn[nH]n1)C2 ZINC000398421229 410965253 /nfs/dbraw/zinc/96/52/53/410965253.db2.gz YNEPMANYWXIZBO-NSHDSACASA-N 1 2 248.717 1.715 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCC1CC1 ZINC000651397694 410979640 /nfs/dbraw/zinc/97/96/40/410979640.db2.gz UXWOTUGSPXIDQR-UHFFFAOYSA-N 1 2 247.342 1.678 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)[C@@H](C)CO1 ZINC000651405586 410987858 /nfs/dbraw/zinc/98/78/58/410987858.db2.gz UDSOWYVMGRXXLN-WDEREUQCSA-N 1 2 221.304 1.789 20 0 BDADLO CCN(C[C@H]1CCCO1)c1cc(CO)cc[nH+]1 ZINC000042470099 411005344 /nfs/dbraw/zinc/00/53/44/411005344.db2.gz YEFWRMPWROXUIA-GFCCVEGCSA-N 1 2 236.315 1.579 20 0 BDADLO CCC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000043001845 411065032 /nfs/dbraw/zinc/06/50/32/411065032.db2.gz IKXBRIDQTIHLNU-JTQLQIEISA-N 1 2 224.308 1.371 20 0 BDADLO Cc1ccc(NC(=O)C(=O)NC(C)(C)C)c(C)[nH+]1 ZINC000192660694 411074853 /nfs/dbraw/zinc/07/48/53/411074853.db2.gz STDPBQJWXPLZRG-UHFFFAOYSA-N 1 2 249.314 1.552 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661622697 411075478 /nfs/dbraw/zinc/07/54/78/411075478.db2.gz VKCSVDOWCKROEF-QCBRBAQYSA-N 1 2 241.360 1.548 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661622697 411075482 /nfs/dbraw/zinc/07/54/82/411075482.db2.gz VKCSVDOWCKROEF-QCBRBAQYSA-N 1 2 241.360 1.548 20 0 BDADLO C[C@@H](CO)C1CCN(c2cccc[nH+]2)CC1 ZINC000651431553 411021242 /nfs/dbraw/zinc/02/12/42/411021242.db2.gz JUHRTOUSJONVAP-NSHDSACASA-N 1 2 220.316 1.926 20 0 BDADLO CCC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659999803 411163477 /nfs/dbraw/zinc/16/34/77/411163477.db2.gz HQFYYMXJRYYDTA-LLVKDONJSA-N 1 2 222.336 1.859 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659999803 411163481 /nfs/dbraw/zinc/16/34/81/411163481.db2.gz HQFYYMXJRYYDTA-LLVKDONJSA-N 1 2 222.336 1.859 20 0 BDADLO Cc1nc(C[N@H+](C)CCOCC2CC2)co1 ZINC000659998528 411163587 /nfs/dbraw/zinc/16/35/87/411163587.db2.gz QBKBAFTVVZGOHW-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1nc(C[N@@H+](C)CCOCC2CC2)co1 ZINC000659998528 411163591 /nfs/dbraw/zinc/16/35/91/411163591.db2.gz QBKBAFTVVZGOHW-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)c2)on1 ZINC000044986232 411143115 /nfs/dbraw/zinc/14/31/15/411143115.db2.gz CGUIZAPBJZHOHJ-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)cnn2C)[C@H](C)CO1 ZINC000651932337 411150871 /nfs/dbraw/zinc/15/08/71/411150871.db2.gz RQSDPKNXFYRIDJ-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)cnn2C)[C@H](C)CO1 ZINC000651932337 411150872 /nfs/dbraw/zinc/15/08/72/411150872.db2.gz RQSDPKNXFYRIDJ-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CC)c2)[C@@H](C)CO1 ZINC000651931430 411150884 /nfs/dbraw/zinc/15/08/84/411150884.db2.gz RZRWXHSKDGHZFE-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)[C@@H](C)CO1 ZINC000651931430 411150885 /nfs/dbraw/zinc/15/08/85/411150885.db2.gz RZRWXHSKDGHZFE-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO FCC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000661688791 411150947 /nfs/dbraw/zinc/15/09/47/411150947.db2.gz IGNKJLQVSLBQCA-SECBINFHSA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000661688791 411150948 /nfs/dbraw/zinc/15/09/48/411150948.db2.gz IGNKJLQVSLBQCA-SECBINFHSA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000661688791 411150949 /nfs/dbraw/zinc/15/09/49/411150949.db2.gz IGNKJLQVSLBQCA-SECBINFHSA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000661688791 411150950 /nfs/dbraw/zinc/15/09/50/411150950.db2.gz IGNKJLQVSLBQCA-SECBINFHSA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000661688791 411150951 /nfs/dbraw/zinc/15/09/51/411150951.db2.gz IGNKJLQVSLBQCA-SECBINFHSA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000661688791 411150952 /nfs/dbraw/zinc/15/09/52/411150952.db2.gz IGNKJLQVSLBQCA-SECBINFHSA-N 1 2 212.272 1.376 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](C)Cn2cccn2)no1 ZINC000264386471 167665410 /nfs/dbraw/zinc/66/54/10/167665410.db2.gz RHDAYAQQYDERSM-JTQLQIEISA-N 1 2 249.318 1.568 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651947208 411158065 /nfs/dbraw/zinc/15/80/65/411158065.db2.gz ZOYYLNNEEIPGLD-GHMZBOCLSA-N 1 2 247.342 1.771 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CCS1 ZINC000123645228 411158727 /nfs/dbraw/zinc/15/87/27/411158727.db2.gz AWZXLELNBRCVNL-SECBINFHSA-N 1 2 224.329 1.516 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652062229 411104024 /nfs/dbraw/zinc/10/40/24/411104024.db2.gz CKSGBCWSKVNIFF-SNVBAGLBSA-N 1 2 227.258 1.949 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652062229 411104028 /nfs/dbraw/zinc/10/40/28/411104028.db2.gz CKSGBCWSKVNIFF-SNVBAGLBSA-N 1 2 227.258 1.949 20 0 BDADLO COCc1cc[nH+]c(NCc2csnn2)c1 ZINC000652068659 411105220 /nfs/dbraw/zinc/10/52/20/411105220.db2.gz KLCWAXCOCFEYIE-UHFFFAOYSA-N 1 2 236.300 1.692 20 0 BDADLO CCc1nc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)no1 ZINC000661630466 411107880 /nfs/dbraw/zinc/10/78/80/411107880.db2.gz KPBWCVYKBOKBKX-IUCAKERBSA-N 1 2 239.319 1.081 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CC(C)(C)C1 ZINC000655952476 411162773 /nfs/dbraw/zinc/16/27/73/411162773.db2.gz XEICSROCDCGXEV-UHFFFAOYSA-N 1 2 249.314 1.642 20 0 BDADLO C[C@H]1[N@H+](Cc2cn(C)cn2)CCOC1(C)C ZINC000660006241 411168283 /nfs/dbraw/zinc/16/82/83/411168283.db2.gz KBOPTRBTKQQWNQ-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1[N@@H+](Cc2cn(C)cn2)CCOC1(C)C ZINC000660006241 411168285 /nfs/dbraw/zinc/16/82/85/411168285.db2.gz KBOPTRBTKQQWNQ-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO Cc1cccn2c(C[NH2+]C[C@H](C)C(=O)[O-])c[nH+]c12 ZINC000656094760 411176000 /nfs/dbraw/zinc/17/60/00/411176000.db2.gz BMIZMHNHCFBULJ-JTQLQIEISA-N 1 2 247.298 1.453 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)Cn1cccn1 ZINC000656108164 411179597 /nfs/dbraw/zinc/17/95/97/411179597.db2.gz SGPRCAMVWMKJSZ-VIFPVBQESA-N 1 2 247.302 1.491 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](C)[C@H]2C)nn1 ZINC000336509242 167746297 /nfs/dbraw/zinc/74/62/97/167746297.db2.gz RCNJHJSTDIJCHC-VHSXEESVSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](C)[C@H]2C)nn1 ZINC000336509242 167746300 /nfs/dbraw/zinc/74/63/00/167746300.db2.gz RCNJHJSTDIJCHC-VHSXEESVSA-N 1 2 208.309 1.699 20 0 BDADLO CCOCCNc1nc[nH+]c(C)c1OC ZINC000656109621 411180960 /nfs/dbraw/zinc/18/09/60/411180960.db2.gz AFSDJXKPVDRDCM-UHFFFAOYSA-N 1 2 211.265 1.242 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](C)CCO ZINC000656131975 411184768 /nfs/dbraw/zinc/18/47/68/411184768.db2.gz NUNZATDPWXHJKE-QMMMGPOBSA-N 1 2 225.292 1.224 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@]2(CCOC2)C1 ZINC000656146346 411186389 /nfs/dbraw/zinc/18/63/89/411186389.db2.gz HKHJQKYTAIPFEU-CYBMUJFWSA-N 1 2 249.314 1.410 20 0 BDADLO COCC1=CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000656164153 411189566 /nfs/dbraw/zinc/18/95/66/411189566.db2.gz CHAAQPVARPJTGH-UHFFFAOYSA-N 1 2 233.315 1.876 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H]([C@H](C)O)C1 ZINC000656155223 411189648 /nfs/dbraw/zinc/18/96/48/411189648.db2.gz MVYKKETWQKPHCS-UWVGGRQHSA-N 1 2 237.303 1.001 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)[nH]1 ZINC000653812673 411190867 /nfs/dbraw/zinc/19/08/67/411190867.db2.gz NMWQGHNKEMPBQK-ZDUSSCGKSA-N 1 2 235.331 1.943 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@H](OC3CCC3)C2)[nH]1 ZINC000653812673 411190869 /nfs/dbraw/zinc/19/08/69/411190869.db2.gz NMWQGHNKEMPBQK-ZDUSSCGKSA-N 1 2 235.331 1.943 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](C)OC ZINC000656181010 411192927 /nfs/dbraw/zinc/19/29/27/411192927.db2.gz WGZPGTGSGMFXPA-ZETCQYMHSA-N 1 2 211.265 1.240 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cc(C)nn1C ZINC000656186271 411196738 /nfs/dbraw/zinc/19/67/38/411196738.db2.gz OQPFTWSGEQLJKC-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1nnc(C2CC2)[nH]1 ZINC000656193624 411199483 /nfs/dbraw/zinc/19/94/83/411199483.db2.gz PNYLPMCMHVRDJD-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO CCn1ccnc1C[NH2+][C@H]1CCCn2nccc21 ZINC000658027359 411204442 /nfs/dbraw/zinc/20/44/42/411204442.db2.gz LTMSBFYJBASWQZ-NSHDSACASA-N 1 2 245.330 1.724 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CO[C@@H](C)C1 ZINC000656204434 411208714 /nfs/dbraw/zinc/20/87/14/411208714.db2.gz UVLGXNUJFVNTIH-IONNQARKSA-N 1 2 223.276 1.383 20 0 BDADLO Cc1nc(NCc2nnn(C(C)(C)C)n2)cc[nH+]1 ZINC000656213323 411211451 /nfs/dbraw/zinc/21/14/51/411211451.db2.gz STUGXPIWBHAQQD-UHFFFAOYSA-N 1 2 247.306 1.139 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1cscn1)C1CC1 ZINC000653897654 411214341 /nfs/dbraw/zinc/21/43/41/411214341.db2.gz RVDXFXOCHUGDON-MRVPVSSYSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1cscn1)C1CC1 ZINC000653897654 411214344 /nfs/dbraw/zinc/21/43/44/411214344.db2.gz RVDXFXOCHUGDON-MRVPVSSYSA-N 1 2 212.318 1.488 20 0 BDADLO CCn1ccnc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653898741 411215694 /nfs/dbraw/zinc/21/56/94/411215694.db2.gz PLUNNRSNYONXSJ-SNVBAGLBSA-N 1 2 223.320 1.248 20 0 BDADLO CCn1ccnc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653898741 411215697 /nfs/dbraw/zinc/21/56/97/411215697.db2.gz PLUNNRSNYONXSJ-SNVBAGLBSA-N 1 2 223.320 1.248 20 0 BDADLO COc1nccc(C[NH+]2CC3(CC3(F)F)C2)n1 ZINC000656265190 411219810 /nfs/dbraw/zinc/21/98/10/411219810.db2.gz BZLNJSPJCMKNAY-UHFFFAOYSA-N 1 2 241.241 1.326 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000658061004 411228074 /nfs/dbraw/zinc/22/80/74/411228074.db2.gz ZKIQTCJLHDGKPG-PSASIEDQSA-N 1 2 223.320 1.936 20 0 BDADLO COCCOc1ccc(-c2[nH+]ccn2C)cn1 ZINC000656371558 411236839 /nfs/dbraw/zinc/23/68/39/411236839.db2.gz IGWLKILFJVQWPR-UHFFFAOYSA-N 1 2 233.271 1.507 20 0 BDADLO CCC(C)=CC(=O)NCc1[nH]c[nH+]c1C ZINC000295220049 167823432 /nfs/dbraw/zinc/82/34/32/167823432.db2.gz YAVHKRJJPAJXKV-VMPITWQZSA-N 1 2 207.277 1.691 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cnccn1 ZINC000658089954 411240748 /nfs/dbraw/zinc/24/07/48/411240748.db2.gz CGDIPIGHGDGZDX-NEPJUHHUSA-N 1 2 248.374 2.000 20 0 BDADLO c1csc(C[NH2+][C@H]2CCCn3ccnc32)n1 ZINC000655696673 411241751 /nfs/dbraw/zinc/24/17/51/411241751.db2.gz IRSWIAOIFHQPBI-VIFPVBQESA-N 1 2 234.328 1.964 20 0 BDADLO c1csc(CN[C@H]2CCCn3cc[nH+]c32)n1 ZINC000655696673 411241754 /nfs/dbraw/zinc/24/17/54/411241754.db2.gz IRSWIAOIFHQPBI-VIFPVBQESA-N 1 2 234.328 1.964 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(OC)no1 ZINC000660148459 411263884 /nfs/dbraw/zinc/26/38/84/411263884.db2.gz LSUZCDOIIXZHQK-GFCCVEGCSA-N 1 2 240.303 1.684 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(OC)no1 ZINC000660148459 411263885 /nfs/dbraw/zinc/26/38/85/411263885.db2.gz LSUZCDOIIXZHQK-GFCCVEGCSA-N 1 2 240.303 1.684 20 0 BDADLO CCc1ccncc1NC(=O)Cc1c[nH+]cn1C ZINC000652897148 411270592 /nfs/dbraw/zinc/27/05/92/411270592.db2.gz HNTLZLDNYWSOEQ-UHFFFAOYSA-N 1 2 244.298 1.559 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1C1CCCC1 ZINC000656465155 411272944 /nfs/dbraw/zinc/27/29/44/411272944.db2.gz ZYWDZBASQPAQPE-LLVKDONJSA-N 1 2 222.292 1.054 20 0 BDADLO CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658163108 411275766 /nfs/dbraw/zinc/27/57/66/411275766.db2.gz ZBSMICRIADFQDR-DTWKUNHWSA-N 1 2 226.324 1.475 20 0 BDADLO Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000656471876 411277029 /nfs/dbraw/zinc/27/70/29/411277029.db2.gz LBVHCVDYWHKCNX-LBPRGKRZSA-N 1 2 243.310 1.337 20 0 BDADLO Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000656471876 411277031 /nfs/dbraw/zinc/27/70/31/411277031.db2.gz LBVHCVDYWHKCNX-LBPRGKRZSA-N 1 2 243.310 1.337 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCCn3nccc32)nn1 ZINC000658177293 411282607 /nfs/dbraw/zinc/28/26/07/411282607.db2.gz SVJUNMQTAFGMAQ-LLVKDONJSA-N 1 2 246.318 1.119 20 0 BDADLO CC(C)c1noc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000653738787 411285784 /nfs/dbraw/zinc/28/57/84/411285784.db2.gz XKRNLQAFSLVFER-BDAKNGLRSA-N 1 2 239.319 1.442 20 0 BDADLO CCn1ccc(C[NH2+][C@H]2CCCn3ccnc32)n1 ZINC000655777280 411290525 /nfs/dbraw/zinc/29/05/25/411290525.db2.gz SGUBXVIFXVFEFC-LBPRGKRZSA-N 1 2 245.330 1.724 20 0 BDADLO OC1([C@@H]2CCCC[N@@H+]2CC(F)F)CC1 ZINC000656693858 411331651 /nfs/dbraw/zinc/33/16/51/411331651.db2.gz GIVHBPDDRPPSSW-QMMMGPOBSA-N 1 2 205.248 1.631 20 0 BDADLO OC1([C@@H]2CCCC[N@H+]2CC(F)F)CC1 ZINC000656693858 411331653 /nfs/dbraw/zinc/33/16/53/411331653.db2.gz GIVHBPDDRPPSSW-QMMMGPOBSA-N 1 2 205.248 1.631 20 0 BDADLO CON1CCC([N@H+](C)CC(F)F)CC1 ZINC000656646383 411314854 /nfs/dbraw/zinc/31/48/54/411314854.db2.gz UBYRSKCFFPXOAR-UHFFFAOYSA-N 1 2 208.252 1.209 20 0 BDADLO CON1CCC([N@@H+](C)CC(F)F)CC1 ZINC000656646383 411314856 /nfs/dbraw/zinc/31/48/56/411314856.db2.gz UBYRSKCFFPXOAR-UHFFFAOYSA-N 1 2 208.252 1.209 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402841725 411318864 /nfs/dbraw/zinc/31/88/64/411318864.db2.gz ZKVQPLITYASTAO-GRYCIOLGSA-N 1 2 245.326 1.970 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccncc1F ZINC000660140903 411256070 /nfs/dbraw/zinc/25/60/70/411256070.db2.gz BZGCVXJQHOPDBT-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOCC1(C)C ZINC000659858957 411349909 /nfs/dbraw/zinc/34/99/09/411349909.db2.gz VSGUTZBOXHQXAH-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCOCC1(C)C ZINC000659858957 411349911 /nfs/dbraw/zinc/34/99/11/411349911.db2.gz VSGUTZBOXHQXAH-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO COc1cc[nH+]cc1NCc1cc2n(n1)CCC2 ZINC000656770155 411362840 /nfs/dbraw/zinc/36/28/40/411362840.db2.gz QFAGZBNRLDWVOV-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)no1 ZINC000662132723 411363558 /nfs/dbraw/zinc/36/35/58/411363558.db2.gz AGLRXHLVEPWNNK-CABZTGNLSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)no1 ZINC000662132723 411363563 /nfs/dbraw/zinc/36/35/63/411363563.db2.gz AGLRXHLVEPWNNK-CABZTGNLSA-N 1 2 239.319 1.082 20 0 BDADLO Cn1ncc(C2CC2)c1CNc1cc[nH+]cc1F ZINC000656771711 411364642 /nfs/dbraw/zinc/36/46/42/411364642.db2.gz AEDRFFMCNLNFQO-UHFFFAOYSA-N 1 2 246.289 1.866 20 0 BDADLO Oc1ccc(C[NH+]2CC(OC(F)F)C2)cc1 ZINC000656771555 411364811 /nfs/dbraw/zinc/36/48/11/411364811.db2.gz XMSNWUWPHTUSBD-UHFFFAOYSA-N 1 2 229.226 1.816 20 0 BDADLO CC1(C[NH2+][C@H]2CCCc3[nH]ncc32)OCCO1 ZINC000368616591 168047181 /nfs/dbraw/zinc/04/71/81/168047181.db2.gz UHWKHIAIWMAEMW-JTQLQIEISA-N 1 2 237.303 1.140 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661966456 411333657 /nfs/dbraw/zinc/33/36/57/411333657.db2.gz IKLNBVMWGMYRCI-NXEZZACHSA-N 1 2 220.320 1.770 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661966456 411333660 /nfs/dbraw/zinc/33/36/60/411333660.db2.gz IKLNBVMWGMYRCI-NXEZZACHSA-N 1 2 220.320 1.770 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000658339475 411346616 /nfs/dbraw/zinc/34/66/16/411346616.db2.gz SIEXHRXLECGONV-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000336440433 168034891 /nfs/dbraw/zinc/03/48/91/168034891.db2.gz QYAMHOBBAFMUDK-SNVBAGLBSA-N 1 2 233.315 1.362 20 0 BDADLO CC1=C(C(=O)NCc2[nH]cc[nH+]2)SCCO1 ZINC000280730085 168078745 /nfs/dbraw/zinc/07/87/45/168078745.db2.gz IGMFYOBBMMVBGI-UHFFFAOYSA-N 1 2 239.300 1.021 20 0 BDADLO CC1=CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000280836821 168094503 /nfs/dbraw/zinc/09/45/03/168094503.db2.gz XTVAWFSQIBSXNG-UHFFFAOYSA-N 1 2 233.315 1.531 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC=C(C)CC2)no1 ZINC000270119493 168110718 /nfs/dbraw/zinc/11/07/18/168110718.db2.gz FJSPYZIPHYCQRJ-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC=C(C)CC2)no1 ZINC000270119493 168110721 /nfs/dbraw/zinc/11/07/21/168110721.db2.gz FJSPYZIPHYCQRJ-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO CCOCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662226073 411380457 /nfs/dbraw/zinc/38/04/57/411380457.db2.gz DBAXMCWZRPGCSP-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CCOCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662226073 411380462 /nfs/dbraw/zinc/38/04/62/411380462.db2.gz DBAXMCWZRPGCSP-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000337258250 168124000 /nfs/dbraw/zinc/12/40/00/168124000.db2.gz UTRDFGOYLLUMCR-SECBINFHSA-N 1 2 236.319 1.534 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000337258250 168124002 /nfs/dbraw/zinc/12/40/02/168124002.db2.gz UTRDFGOYLLUMCR-SECBINFHSA-N 1 2 236.319 1.534 20 0 BDADLO CC1CC(NC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335478877 168144328 /nfs/dbraw/zinc/14/43/28/168144328.db2.gz VOBYKWLKQCOOEQ-QXUHLLMWSA-N 1 2 225.317 1.058 20 0 BDADLO CCC(=CC(=O)N1CCn2c[nH+]cc2C1)CC ZINC000291110585 168192625 /nfs/dbraw/zinc/19/26/25/168192625.db2.gz MNZSSDRSDJPZCX-UHFFFAOYSA-N 1 2 233.315 1.972 20 0 BDADLO CCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119658721 168218204 /nfs/dbraw/zinc/21/82/04/168218204.db2.gz SEJUUASSPUPCTK-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO CCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365208500 168218819 /nfs/dbraw/zinc/21/88/19/168218819.db2.gz ZKJUHQLZUBDSGL-SNVBAGLBSA-N 1 2 221.304 1.536 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)[C@@H]1COC(C)(C)C1 ZINC000659919470 411382764 /nfs/dbraw/zinc/38/27/64/411382764.db2.gz HTIQXKVHHXYQFQ-JTQLQIEISA-N 1 2 209.293 1.409 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)[C@@H]1COC(C)(C)C1 ZINC000659919470 411382767 /nfs/dbraw/zinc/38/27/67/411382767.db2.gz HTIQXKVHHXYQFQ-JTQLQIEISA-N 1 2 209.293 1.409 20 0 BDADLO CCC(C)(C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000338936943 168261701 /nfs/dbraw/zinc/26/17/01/168261701.db2.gz SMLUBJAYTCBDBT-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO CCC(C)(C)CC(=O)NCc1[nH+]ccn1C ZINC000362602334 168275043 /nfs/dbraw/zinc/27/50/43/168275043.db2.gz WVKCFFRTQAYQFE-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO C[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659812031 411460770 /nfs/dbraw/zinc/46/07/70/411460770.db2.gz OGWJJDTVSDONPJ-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659812031 411460772 /nfs/dbraw/zinc/46/07/72/411460772.db2.gz OGWJJDTVSDONPJ-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO CC[C@H](C)[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078253039 411400829 /nfs/dbraw/zinc/40/08/29/411400829.db2.gz PNBQDKFGPHZOJR-JOYOIKCWSA-N 1 2 223.320 1.994 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405079093 411415826 /nfs/dbraw/zinc/41/58/26/411415826.db2.gz OIPLFCUXTLYELP-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405079093 411415830 /nfs/dbraw/zinc/41/58/30/411415830.db2.gz OIPLFCUXTLYELP-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)C1CC1 ZINC000654598966 411416950 /nfs/dbraw/zinc/41/69/50/411416950.db2.gz LOBMOVNCBZCDJU-VHSXEESVSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)C1CC1 ZINC000654598966 411416953 /nfs/dbraw/zinc/41/69/53/411416953.db2.gz LOBMOVNCBZCDJU-VHSXEESVSA-N 1 2 235.331 1.751 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCCSC2)c[nH+]1 ZINC000267375574 411421429 /nfs/dbraw/zinc/42/14/29/411421429.db2.gz SZWOIKSVSRTKIA-QMMMGPOBSA-N 1 2 225.317 1.344 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ccc[nH]c2=O)C1 ZINC000654655606 411423118 /nfs/dbraw/zinc/42/31/18/411423118.db2.gz RVEDISYVMBVQKY-UHFFFAOYSA-N 1 2 235.287 1.068 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCCOC[C@@H]2C)on1 ZINC000653587051 411426656 /nfs/dbraw/zinc/42/66/56/411426656.db2.gz NPHCQYXUTICONM-VIFPVBQESA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCCOC[C@@H]2C)on1 ZINC000653587051 411426658 /nfs/dbraw/zinc/42/66/58/411426658.db2.gz NPHCQYXUTICONM-VIFPVBQESA-N 1 2 238.287 1.488 20 0 BDADLO c1csc(C[NH2+]Cc2cnn3c2CCC3)n1 ZINC000657317765 411463101 /nfs/dbraw/zinc/46/31/01/411463101.db2.gz FQBONDIMZHKKRQ-UHFFFAOYSA-N 1 2 234.328 1.576 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCO)ccn12 ZINC000654910770 411463132 /nfs/dbraw/zinc/46/31/32/411463132.db2.gz AMBNJLUXRTXTKQ-SECBINFHSA-N 1 2 247.298 1.143 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccncc1 ZINC000274994124 411438662 /nfs/dbraw/zinc/43/86/62/411438662.db2.gz ONDXJHJVXCCOOV-YPMHNXCESA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccncc1 ZINC000274994124 411438665 /nfs/dbraw/zinc/43/86/65/411438665.db2.gz ONDXJHJVXCCOOV-YPMHNXCESA-N 1 2 248.326 1.855 20 0 BDADLO C[C@@H](C(=O)N(C)c1nccs1)[NH+]1CC(C)C1 ZINC000654765162 411440662 /nfs/dbraw/zinc/44/06/62/411440662.db2.gz IPPXPLRVCNUSOR-VIFPVBQESA-N 1 2 239.344 1.446 20 0 BDADLO COc1ccnc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000654970315 411468457 /nfs/dbraw/zinc/46/84/57/411468457.db2.gz LTFQQAULUDUULB-UHFFFAOYSA-N 1 2 249.314 1.371 20 0 BDADLO Cc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1O ZINC000654967422 411468668 /nfs/dbraw/zinc/46/86/68/411468668.db2.gz SAFSVIZQZRNJBV-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657334933 411472002 /nfs/dbraw/zinc/47/20/02/411472002.db2.gz IIYVWPTXTMEUKM-PSASIEDQSA-N 1 2 238.335 1.111 20 0 BDADLO CC[C@@]1(NC(=O)C[NH+]2CC(C)(C)C2)CCOC1 ZINC000655025183 411479989 /nfs/dbraw/zinc/47/99/89/411479989.db2.gz OSNROHQAZILUMY-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CO[C@@H](C[N@H+](C)CC(F)F)[C@H]1CCOC1 ZINC000659879829 411488483 /nfs/dbraw/zinc/48/84/83/411488483.db2.gz XOZJYBDBVJWJBI-IUCAKERBSA-N 1 2 223.263 1.235 20 0 BDADLO CO[C@@H](C[N@@H+](C)CC(F)F)[C@H]1CCOC1 ZINC000659879829 411488485 /nfs/dbraw/zinc/48/84/85/411488485.db2.gz XOZJYBDBVJWJBI-IUCAKERBSA-N 1 2 223.263 1.235 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)n1 ZINC000657389939 411491055 /nfs/dbraw/zinc/49/10/55/411491055.db2.gz PGTMEVOWXVQLCS-TZMCWYRMSA-N 1 2 243.310 1.466 20 0 BDADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1cc[nH]n1 ZINC000659921751 411499592 /nfs/dbraw/zinc/49/95/92/411499592.db2.gz VAEYWCMZWNOMLQ-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1cc[nH]n1 ZINC000659921751 411499593 /nfs/dbraw/zinc/49/95/93/411499593.db2.gz VAEYWCMZWNOMLQ-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](F)C1 ZINC000655127469 411500533 /nfs/dbraw/zinc/50/05/33/411500533.db2.gz WHIMMTYTNZUPDD-RKDXNWHRSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](F)C1 ZINC000655127469 411500536 /nfs/dbraw/zinc/50/05/36/411500536.db2.gz WHIMMTYTNZUPDD-RKDXNWHRSA-N 1 2 225.267 1.159 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659926685 411501144 /nfs/dbraw/zinc/50/11/44/411501144.db2.gz BSYMINIHIBJELE-LLVKDONJSA-N 1 2 238.335 1.096 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659926685 411501146 /nfs/dbraw/zinc/50/11/46/411501146.db2.gz BSYMINIHIBJELE-LLVKDONJSA-N 1 2 238.335 1.096 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657443057 411511136 /nfs/dbraw/zinc/51/11/36/411511136.db2.gz XKZBJMODJHHLGN-SNVBAGLBSA-N 1 2 246.314 1.973 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ncn(C)n2)CO1 ZINC000657443268 411511557 /nfs/dbraw/zinc/51/15/57/411511557.db2.gz IRUXXWFKBYPLET-KXUCPTDWSA-N 1 2 224.308 1.033 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659977401 411515919 /nfs/dbraw/zinc/51/59/19/411515919.db2.gz XTJSGPPTQJQAJD-LBPRGKRZSA-N 1 2 222.336 1.859 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659977401 411515921 /nfs/dbraw/zinc/51/59/21/411515921.db2.gz XTJSGPPTQJQAJD-LBPRGKRZSA-N 1 2 222.336 1.859 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc3n(n2)CCC3)n(C)n1 ZINC000657459874 411517466 /nfs/dbraw/zinc/51/74/66/411517466.db2.gz JSOMLXOYKAIRMA-UHFFFAOYSA-N 1 2 245.330 1.161 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cc(C)nn2C)n1 ZINC000657459982 411517798 /nfs/dbraw/zinc/51/77/98/411517798.db2.gz NFWPROMDFSMVBW-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657466107 411519461 /nfs/dbraw/zinc/51/94/61/411519461.db2.gz APFAXXQWWZXGNL-QMMMGPOBSA-N 1 2 212.272 1.451 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000659994264 411522223 /nfs/dbraw/zinc/52/22/23/411522223.db2.gz MNYXBORZIXOBRJ-CYBMUJFWSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000659994264 411522226 /nfs/dbraw/zinc/52/22/26/411522226.db2.gz MNYXBORZIXOBRJ-CYBMUJFWSA-N 1 2 243.314 1.579 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nnc[nH]1)C1CCCC1 ZINC000659995851 411524087 /nfs/dbraw/zinc/52/40/87/411524087.db2.gz WJYFUMJRPKIYPX-NSHDSACASA-N 1 2 238.335 1.442 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nnc[nH]1)C1CCCC1 ZINC000659995851 411524089 /nfs/dbraw/zinc/52/40/89/411524089.db2.gz WJYFUMJRPKIYPX-NSHDSACASA-N 1 2 238.335 1.442 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000660009554 411527314 /nfs/dbraw/zinc/52/73/14/411527314.db2.gz WERUXKJEYCGVSI-UWVGGRQHSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000660009554 411527316 /nfs/dbraw/zinc/52/73/16/411527316.db2.gz WERUXKJEYCGVSI-UWVGGRQHSA-N 1 2 224.304 1.846 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)sn1 ZINC000660009791 411527456 /nfs/dbraw/zinc/52/74/56/411527456.db2.gz ARSJWLBBUAUYKV-BDAKNGLRSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)sn1 ZINC000660009791 411527458 /nfs/dbraw/zinc/52/74/58/411527458.db2.gz ARSJWLBBUAUYKV-BDAKNGLRSA-N 1 2 242.344 1.761 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cc3n(n2)CCC3)o1 ZINC000657484690 411528804 /nfs/dbraw/zinc/52/88/04/411528804.db2.gz DASKRYMGCVLLTE-UHFFFAOYSA-N 1 2 246.314 1.670 20 0 BDADLO CCc1nc([C@@H](C)N2CC[NH+](CC)CC2)n[nH]1 ZINC000659826956 411465252 /nfs/dbraw/zinc/46/52/52/411465252.db2.gz LZMMQAGDCMTHKX-SNVBAGLBSA-N 1 2 237.351 1.066 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC[C@@H](C)CO)[C@@H](C)C1 ZINC000309643896 170035411 /nfs/dbraw/zinc/03/54/11/170035411.db2.gz LMRSKRJXDLCCEU-AGIUHOORSA-N 1 2 228.380 1.325 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCc2ccccn2)[C@@H](C)C1 ZINC000358310108 170035822 /nfs/dbraw/zinc/03/58/22/170035822.db2.gz VXCVRRSVORDZKM-ZFWWWQNUSA-N 1 2 247.386 1.944 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@@H](C)F)[C@@H](C)C1 ZINC000339491084 170036285 /nfs/dbraw/zinc/03/62/85/170036285.db2.gz LLJJWGHDMJHBFS-AXFHLTTASA-N 1 2 202.317 1.664 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000660124898 411541275 /nfs/dbraw/zinc/54/12/75/411541275.db2.gz DPGJCNPFMURBJJ-GFCCVEGCSA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000660124898 411541277 /nfs/dbraw/zinc/54/12/77/411541277.db2.gz DPGJCNPFMURBJJ-GFCCVEGCSA-N 1 2 233.315 1.134 20 0 BDADLO CC(C)=CCCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660126513 411541473 /nfs/dbraw/zinc/54/14/73/411541473.db2.gz RESZGDLOLRVQPH-AWEZNQCLSA-N 1 2 238.375 1.749 20 0 BDADLO FC(F)(F)C1=CC[N@H+](CCc2c[nH]nn2)CC1 ZINC000660127607 411542591 /nfs/dbraw/zinc/54/25/91/411542591.db2.gz CNKISHIQEDRGRD-UHFFFAOYSA-N 1 2 246.236 1.542 20 0 BDADLO FC(F)(F)C1=CC[N@@H+](CCc2c[nH]nn2)CC1 ZINC000660127607 411542592 /nfs/dbraw/zinc/54/25/92/411542592.db2.gz CNKISHIQEDRGRD-UHFFFAOYSA-N 1 2 246.236 1.542 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000152705436 170061086 /nfs/dbraw/zinc/06/10/86/170061086.db2.gz XYEMFFMJTOBLBJ-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000152705436 170061087 /nfs/dbraw/zinc/06/10/87/170061087.db2.gz XYEMFFMJTOBLBJ-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CCNC(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000299149692 170066178 /nfs/dbraw/zinc/06/61/78/170066178.db2.gz WVPOOHCBIYOWFJ-SNVBAGLBSA-N 1 2 240.303 1.001 20 0 BDADLO Cn1ccnc1C[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000660138290 411544219 /nfs/dbraw/zinc/54/42/19/411544219.db2.gz SXNUZRKEULQITD-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO Cn1ccnc1C[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000660138290 411544221 /nfs/dbraw/zinc/54/42/21/411544221.db2.gz SXNUZRKEULQITD-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144666 411544405 /nfs/dbraw/zinc/54/44/05/411544405.db2.gz XIMIXRSQGSJBDU-NXEZZACHSA-N 1 2 238.335 1.145 20 0 BDADLO CCNC(=O)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000264675903 170089513 /nfs/dbraw/zinc/08/95/13/170089513.db2.gz VMWSZYHBRDYNMV-MRVPVSSYSA-N 1 2 234.303 1.291 20 0 BDADLO CCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000083347710 170089775 /nfs/dbraw/zinc/08/97/75/170089775.db2.gz ZCPUMXRBEQLZRF-VIFPVBQESA-N 1 2 214.215 1.101 20 0 BDADLO CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000111551636 170100002 /nfs/dbraw/zinc/10/00/02/170100002.db2.gz WCYUDZJNXSRWQG-UHFFFAOYSA-N 1 2 216.244 1.017 20 0 BDADLO CCNC(=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714953 170103346 /nfs/dbraw/zinc/10/33/46/170103346.db2.gz HBOUOMNTQSQYRI-UHFFFAOYSA-N 1 2 244.298 1.772 20 0 BDADLO Cc1occc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657568192 411553367 /nfs/dbraw/zinc/55/33/67/411553367.db2.gz CVDQZZPTHNORQQ-KWQFWETISA-N 1 2 232.287 1.975 20 0 BDADLO CC(C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660205551 411553487 /nfs/dbraw/zinc/55/34/87/411553487.db2.gz CYBWIWRZZAAYHW-UHFFFAOYSA-N 1 2 224.308 1.597 20 0 BDADLO CC(C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660205551 411553488 /nfs/dbraw/zinc/55/34/88/411553488.db2.gz CYBWIWRZZAAYHW-UHFFFAOYSA-N 1 2 224.308 1.597 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)on1 ZINC000660222472 411556240 /nfs/dbraw/zinc/55/62/40/411556240.db2.gz VUOSAWPYNJFTDN-NSHDSACASA-N 1 2 240.303 1.540 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)on1 ZINC000660222472 411556241 /nfs/dbraw/zinc/55/62/41/411556241.db2.gz VUOSAWPYNJFTDN-NSHDSACASA-N 1 2 240.303 1.540 20 0 BDADLO CC(C)[C@H](C)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660145105 411545494 /nfs/dbraw/zinc/54/54/94/411545494.db2.gz LOHIRNUWJOXZNW-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO COCC1([N@H+](C)Cc2coc(C)n2)CC1 ZINC000660150762 411546825 /nfs/dbraw/zinc/54/68/25/411546825.db2.gz ZIIKBIZSHCOEGA-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COCC1([N@@H+](C)Cc2coc(C)n2)CC1 ZINC000660150762 411546826 /nfs/dbraw/zinc/54/68/26/411546826.db2.gz ZIIKBIZSHCOEGA-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO CC[NH2+]c1ccc(OCC(=O)OC)cc1C ZINC000089104225 170174243 /nfs/dbraw/zinc/17/42/43/170174243.db2.gz XFVXMRBPWLYOOX-UHFFFAOYSA-N 1 2 223.272 1.979 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCc1ccncc1 ZINC000258886134 170186986 /nfs/dbraw/zinc/18/69/86/170186986.db2.gz WDNXSHSQAUWOLQ-UHFFFAOYSA-N 1 2 236.315 1.555 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@H](C)F ZINC000308574134 170187100 /nfs/dbraw/zinc/18/71/00/170187100.db2.gz CVPWMFOXZZNRNS-QMMMGPOBSA-N 1 2 205.273 1.666 20 0 BDADLO CCOC(=O)C(F)(F)C[NH2+]C1CCCC1 ZINC000095803869 170188095 /nfs/dbraw/zinc/18/80/95/170188095.db2.gz UXNKBIRHIGVUMN-UHFFFAOYSA-N 1 2 221.247 1.717 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@@H]1CCCO1 ZINC000037957581 170188360 /nfs/dbraw/zinc/18/83/60/170188360.db2.gz IGTZMPOGDVCIIW-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000660163327 411549354 /nfs/dbraw/zinc/54/93/54/411549354.db2.gz UJSPQVXKKZMSKG-SKDRFNHKSA-N 1 2 238.335 1.275 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000660163327 411549355 /nfs/dbraw/zinc/54/93/55/411549355.db2.gz UJSPQVXKKZMSKG-SKDRFNHKSA-N 1 2 238.335 1.275 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000660163326 411549576 /nfs/dbraw/zinc/54/95/76/411549576.db2.gz UJSPQVXKKZMSKG-JOYOIKCWSA-N 1 2 238.335 1.275 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000660163326 411549577 /nfs/dbraw/zinc/54/95/77/411549577.db2.gz UJSPQVXKKZMSKG-JOYOIKCWSA-N 1 2 238.335 1.275 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000338568875 170201096 /nfs/dbraw/zinc/20/10/96/170201096.db2.gz AKYLCYBPSDUARP-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000338568875 170201097 /nfs/dbraw/zinc/20/10/97/170201097.db2.gz AKYLCYBPSDUARP-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO CCn1cc(CNCc2[nH+]ccn2C(C)C)nn1 ZINC000657624309 411566029 /nfs/dbraw/zinc/56/60/29/411566029.db2.gz FUIIIQJMUURNNL-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nccn1CC ZINC000054743884 170204551 /nfs/dbraw/zinc/20/45/51/170204551.db2.gz ITIZKWHXGQFDEH-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nccn1CC ZINC000054743884 170204552 /nfs/dbraw/zinc/20/45/52/170204552.db2.gz ITIZKWHXGQFDEH-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO CCOC(=O)C[N@H+]1CC=C(c2cccnc2)CC1 ZINC000371408081 170218696 /nfs/dbraw/zinc/21/86/96/170218696.db2.gz FWUBYFAEPQXJFF-UHFFFAOYSA-N 1 2 246.310 1.734 20 0 BDADLO CCOC(=O)C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000371408081 170218698 /nfs/dbraw/zinc/21/86/98/170218698.db2.gz FWUBYFAEPQXJFF-UHFFFAOYSA-N 1 2 246.310 1.734 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289863059 170221148 /nfs/dbraw/zinc/22/11/48/170221148.db2.gz LHLVZLDXMWSARX-NSHDSACASA-N 1 2 237.303 1.001 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289863059 170221149 /nfs/dbraw/zinc/22/11/49/170221149.db2.gz LHLVZLDXMWSARX-NSHDSACASA-N 1 2 237.303 1.001 20 0 BDADLO CCOC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000070248076 170240214 /nfs/dbraw/zinc/24/02/14/170240214.db2.gz TUNWMLMXPYQEPU-UHFFFAOYSA-N 1 2 238.287 1.554 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043638724 170247326 /nfs/dbraw/zinc/24/73/26/170247326.db2.gz GNDZEVBPDPVXCX-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043638724 170247327 /nfs/dbraw/zinc/24/73/27/170247327.db2.gz GNDZEVBPDPVXCX-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](CC)SCc1c[nH+]cn1C ZINC000279869235 170251241 /nfs/dbraw/zinc/25/12/41/170251241.db2.gz GIGUZRSAQNNMAE-SNVBAGLBSA-N 1 2 242.344 1.995 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000155175876 170259435 /nfs/dbraw/zinc/25/94/35/170259435.db2.gz OOVNEZHFWYQIEF-MNOVXSKESA-N 1 2 249.314 1.929 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000354843246 170265509 /nfs/dbraw/zinc/26/55/09/170265509.db2.gz VMYUHEMZWBMABO-GARJFASQSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000354843246 170265510 /nfs/dbraw/zinc/26/55/10/170265510.db2.gz VMYUHEMZWBMABO-GARJFASQSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000109824794 170279679 /nfs/dbraw/zinc/27/96/79/170279679.db2.gz ZFQWIFDLFYLPRC-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000109824794 170279681 /nfs/dbraw/zinc/27/96/81/170279681.db2.gz ZFQWIFDLFYLPRC-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CC[N@H+](CC(F)F)C[C@@H](OC)[C@H]1CCOC1 ZINC000660274384 411563468 /nfs/dbraw/zinc/56/34/68/411563468.db2.gz QKHXAWSEEZQFOG-VHSXEESVSA-N 1 2 237.290 1.625 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@@H](OC)[C@H]1CCOC1 ZINC000660274384 411563470 /nfs/dbraw/zinc/56/34/70/411563470.db2.gz QKHXAWSEEZQFOG-VHSXEESVSA-N 1 2 237.290 1.625 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000124399470 170281456 /nfs/dbraw/zinc/28/14/56/170281456.db2.gz RVQIVPJDYIMSJU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ncccc1C ZINC000124399470 170281458 /nfs/dbraw/zinc/28/14/58/170281458.db2.gz RVQIVPJDYIMSJU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000352926962 170281548 /nfs/dbraw/zinc/28/15/48/170281548.db2.gz SGSCGMGNQQAELX-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000352926962 170281549 /nfs/dbraw/zinc/28/15/49/170281549.db2.gz SGSCGMGNQQAELX-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1nc(C[NH2+][C@@H](CCO)c2ccco2)co1 ZINC000660296711 411565363 /nfs/dbraw/zinc/56/53/63/411565363.db2.gz FWDFCENYVNSSKT-NSHDSACASA-N 1 2 236.271 1.789 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660340648 411571757 /nfs/dbraw/zinc/57/17/57/411571757.db2.gz MULOQMBMBBLXDW-BDAKNGLRSA-N 1 2 222.292 1.207 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660340648 411571758 /nfs/dbraw/zinc/57/17/58/411571758.db2.gz MULOQMBMBBLXDW-BDAKNGLRSA-N 1 2 222.292 1.207 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)on1 ZINC000660373575 411574460 /nfs/dbraw/zinc/57/44/60/411574460.db2.gz CIAJLRMFSDNGHA-IVZWLZJFSA-N 1 2 240.303 1.681 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)on1 ZINC000660373575 411574461 /nfs/dbraw/zinc/57/44/61/411574461.db2.gz CIAJLRMFSDNGHA-IVZWLZJFSA-N 1 2 240.303 1.681 20 0 BDADLO CCOC1C[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000295813028 170335826 /nfs/dbraw/zinc/33/58/26/170335826.db2.gz BQTSMLZKQDNEPT-ZDUSSCGKSA-N 1 2 239.290 1.580 20 0 BDADLO CCOC1C[NH+](Cc2nc(C)ccc2O)C1 ZINC000297555134 170336407 /nfs/dbraw/zinc/33/64/07/170336407.db2.gz ZYMRSIRDICVOHU-UHFFFAOYSA-N 1 2 222.288 1.316 20 0 BDADLO CCOC1C[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000297391687 170336686 /nfs/dbraw/zinc/33/66/86/170336686.db2.gz JNRHUYZVGMECBT-UHFFFAOYSA-N 1 2 232.287 1.179 20 0 BDADLO CCOC1C[NH+](Cc2sccc2OC)C1 ZINC000297311205 170337161 /nfs/dbraw/zinc/33/71/61/170337161.db2.gz BVFUBRSPQXQMOZ-UHFFFAOYSA-N 1 2 227.329 1.977 20 0 BDADLO CCOCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378409921 170340250 /nfs/dbraw/zinc/34/02/50/170340250.db2.gz FCCBRGNIPVBUTJ-VIFPVBQESA-N 1 2 223.276 1.110 20 0 BDADLO CCOCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000125344124 170347139 /nfs/dbraw/zinc/34/71/39/170347139.db2.gz JKCMXEJVRUWWJP-MRVPVSSYSA-N 1 2 211.265 1.014 20 0 BDADLO CCOCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068371050 170380038 /nfs/dbraw/zinc/38/00/38/170380038.db2.gz GNOKXEORVMZDSF-UHFFFAOYSA-N 1 2 247.298 1.491 20 0 BDADLO CCOCC[N@H+](C)CC(=O)Nc1nccs1 ZINC000093313026 170388975 /nfs/dbraw/zinc/38/89/75/170388975.db2.gz NEEUNNDWOSLBGY-UHFFFAOYSA-N 1 2 243.332 1.050 20 0 BDADLO CCOCC[N@@H+](C)CC(=O)Nc1nccs1 ZINC000093313026 170388976 /nfs/dbraw/zinc/38/89/76/170388976.db2.gz NEEUNNDWOSLBGY-UHFFFAOYSA-N 1 2 243.332 1.050 20 0 BDADLO CCOCC[N@H+](CC)Cc1nccn1C ZINC000107677753 170395599 /nfs/dbraw/zinc/39/55/99/170395599.db2.gz LYTZAOXLKJVHEP-UHFFFAOYSA-N 1 2 211.309 1.279 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nccn1C ZINC000107677753 170395600 /nfs/dbraw/zinc/39/56/00/170395600.db2.gz LYTZAOXLKJVHEP-UHFFFAOYSA-N 1 2 211.309 1.279 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(C)no1 ZINC000107680002 170395746 /nfs/dbraw/zinc/39/57/46/170395746.db2.gz MYPWGZDWBXDARH-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(C)no1 ZINC000107680002 170395747 /nfs/dbraw/zinc/39/57/47/170395747.db2.gz MYPWGZDWBXDARH-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCOCC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000330817351 170398401 /nfs/dbraw/zinc/39/84/01/170398401.db2.gz GPGWJCSMLPDJDH-VIFPVBQESA-N 1 2 240.307 1.074 20 0 BDADLO CCOCC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000330817351 170398402 /nfs/dbraw/zinc/39/84/02/170398402.db2.gz GPGWJCSMLPDJDH-VIFPVBQESA-N 1 2 240.307 1.074 20 0 BDADLO Cc1nocc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000660782212 411628986 /nfs/dbraw/zinc/62/89/86/411628986.db2.gz ZOWFTSWDXYWWDX-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)co1 ZINC000660389353 411577752 /nfs/dbraw/zinc/57/77/52/411577752.db2.gz LHQVFVBWZNVOCJ-DLOVCJGASA-N 1 2 249.314 1.069 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)co1 ZINC000660389353 411577753 /nfs/dbraw/zinc/57/77/53/411577753.db2.gz LHQVFVBWZNVOCJ-DLOVCJGASA-N 1 2 249.314 1.069 20 0 BDADLO CO[C@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392265 411578705 /nfs/dbraw/zinc/57/87/05/411578705.db2.gz YPBGSCQBIVSVJW-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392265 411578707 /nfs/dbraw/zinc/57/87/07/411578707.db2.gz YPBGSCQBIVSVJW-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO COCC[N@H+](Cc1coc(C)n1)[C@@H]1CCOC1 ZINC000660430981 411583473 /nfs/dbraw/zinc/58/34/73/411583473.db2.gz BQOYKYPRJCDIOD-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[N@@H+](Cc1coc(C)n1)[C@@H]1CCOC1 ZINC000660430981 411583474 /nfs/dbraw/zinc/58/34/74/411583474.db2.gz BQOYKYPRJCDIOD-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000660444840 411585767 /nfs/dbraw/zinc/58/57/67/411585767.db2.gz QUSLWDHWSWFBDQ-RKDXNWHRSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000660444840 411585768 /nfs/dbraw/zinc/58/57/68/411585768.db2.gz QUSLWDHWSWFBDQ-RKDXNWHRSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)[nH]1 ZINC000660443797 411585904 /nfs/dbraw/zinc/58/59/04/411585904.db2.gz AERFXLQZLSZJEY-YIZRAAEISA-N 1 2 208.309 1.911 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)[nH]1 ZINC000660443797 411585905 /nfs/dbraw/zinc/58/59/05/411585905.db2.gz AERFXLQZLSZJEY-YIZRAAEISA-N 1 2 208.309 1.911 20 0 BDADLO Cc1ccc(NC[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000663393557 411645701 /nfs/dbraw/zinc/64/57/01/411645701.db2.gz FXTVGQOHRKBORJ-SNVBAGLBSA-N 1 2 231.303 1.730 20 0 BDADLO C[C@@H]([NH2+]Cc1ccncc1F)c1nccn1C ZINC000657792750 411598628 /nfs/dbraw/zinc/59/86/28/411598628.db2.gz FTXRVQYGCURUCM-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO C[C@@H](NCc1cc2n(n1)CCC2)c1[nH+]ccn1C ZINC000657793276 411599016 /nfs/dbraw/zinc/59/90/16/411599016.db2.gz JJVAYDPEWWALHW-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1nccn1C ZINC000657793276 411599019 /nfs/dbraw/zinc/59/90/19/411599019.db2.gz JJVAYDPEWWALHW-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO Cc1nc(CN2CCn3c[nH+]cc3C2)c(C)o1 ZINC000660583699 411603856 /nfs/dbraw/zinc/60/38/56/411603856.db2.gz LZBWDIIWMDWRHJ-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CCn3cncc3C2)CO1 ZINC000660584118 411604022 /nfs/dbraw/zinc/60/40/22/411604022.db2.gz PIYBBXPQYCNJJM-JTQLQIEISA-N 1 2 221.304 1.266 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CCn3cncc3C2)CO1 ZINC000660584118 411604023 /nfs/dbraw/zinc/60/40/23/411604023.db2.gz PIYBBXPQYCNJJM-JTQLQIEISA-N 1 2 221.304 1.266 20 0 BDADLO CC1(C)C[C@H](N2CCn3c[nH+]cc3C2)CO1 ZINC000660584118 411604025 /nfs/dbraw/zinc/60/40/25/411604025.db2.gz PIYBBXPQYCNJJM-JTQLQIEISA-N 1 2 221.304 1.266 20 0 BDADLO c1[nH]nnc1CCn1c[nH+]c2c1CCCC2 ZINC000660649787 411612824 /nfs/dbraw/zinc/61/28/24/411612824.db2.gz NQBPLQZXOIXZTF-UHFFFAOYSA-N 1 2 217.276 1.123 20 0 BDADLO O[C@H]([C@@H]1CC[N@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741804 411620232 /nfs/dbraw/zinc/62/02/32/411620232.db2.gz SJDYZIMHEOGMQD-VXNVDRBHSA-N 1 2 249.236 1.155 20 0 BDADLO O[C@H]([C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741804 411620233 /nfs/dbraw/zinc/62/02/33/411620233.db2.gz SJDYZIMHEOGMQD-VXNVDRBHSA-N 1 2 249.236 1.155 20 0 BDADLO O[C@H]([C@H]1CC[N@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741803 411620453 /nfs/dbraw/zinc/62/04/53/411620453.db2.gz SJDYZIMHEOGMQD-IONNQARKSA-N 1 2 249.236 1.155 20 0 BDADLO O[C@H]([C@H]1CC[N@@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741803 411620454 /nfs/dbraw/zinc/62/04/54/411620454.db2.gz SJDYZIMHEOGMQD-IONNQARKSA-N 1 2 249.236 1.155 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)s1 ZINC000660759198 411622221 /nfs/dbraw/zinc/62/22/21/411622221.db2.gz YJKKXYSOVIFXIW-APPZFPTMSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H](C)C[C@H](O)C2)s1 ZINC000660759198 411622223 /nfs/dbraw/zinc/62/22/23/411622223.db2.gz YJKKXYSOVIFXIW-APPZFPTMSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000661089684 411703961 /nfs/dbraw/zinc/70/39/61/411703961.db2.gz FOOYFUHCMZNPBA-SECBINFHSA-N 1 2 247.302 1.407 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000661089684 411703964 /nfs/dbraw/zinc/70/39/64/411703964.db2.gz FOOYFUHCMZNPBA-SECBINFHSA-N 1 2 247.302 1.407 20 0 BDADLO Cc1cc(NC[C@H]2CCO[C@@H]2C(C)C)nc[nH+]1 ZINC000328615429 411653196 /nfs/dbraw/zinc/65/31/96/411653196.db2.gz YJDMBBQTMOTXLM-DGCLKSJQSA-N 1 2 235.331 2.258 20 0 BDADLO Cc1ccnc(C[N@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660845888 411656815 /nfs/dbraw/zinc/65/68/15/411656815.db2.gz UWSHZVOOMKDABV-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1ccnc(C[N@@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660845888 411656818 /nfs/dbraw/zinc/65/68/18/411656818.db2.gz UWSHZVOOMKDABV-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccccc1F ZINC000660850075 411658380 /nfs/dbraw/zinc/65/83/80/411658380.db2.gz JLZOBTWMCIAZRR-UHFFFAOYSA-N 1 2 237.234 1.546 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccccc1F ZINC000660850075 411658385 /nfs/dbraw/zinc/65/83/85/411658385.db2.gz JLZOBTWMCIAZRR-UHFFFAOYSA-N 1 2 237.234 1.546 20 0 BDADLO CCn1nccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000663468774 411666339 /nfs/dbraw/zinc/66/63/39/411666339.db2.gz GPHSXVVHPDWFCV-LLVKDONJSA-N 1 2 231.303 1.334 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000660906727 411667326 /nfs/dbraw/zinc/66/73/26/411667326.db2.gz YRTGLGXLOXOADC-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000660906727 411667332 /nfs/dbraw/zinc/66/73/32/411667332.db2.gz YRTGLGXLOXOADC-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@H]2C2CCC2)co1 ZINC000660905105 411667723 /nfs/dbraw/zinc/66/77/23/411667723.db2.gz QHVTXRJDOACGNO-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@H]2C2CCC2)co1 ZINC000660905105 411667726 /nfs/dbraw/zinc/66/77/26/411667726.db2.gz QHVTXRJDOACGNO-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](CC)CO1 ZINC000660912619 411668673 /nfs/dbraw/zinc/66/86/73/411668673.db2.gz LFYQXWRPJVHXPA-QWHCGFSZSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](CC)CO1 ZINC000660912619 411668676 /nfs/dbraw/zinc/66/86/76/411668676.db2.gz LFYQXWRPJVHXPA-QWHCGFSZSA-N 1 2 237.347 1.810 20 0 BDADLO CCC(C)(C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661066660 411694132 /nfs/dbraw/zinc/69/41/32/411694132.db2.gz RSWVRTWYVSSVDK-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CCC(C)(C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661066660 411694138 /nfs/dbraw/zinc/69/41/38/411694138.db2.gz RSWVRTWYVSSVDK-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CCc1nnc([C@H](C)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000661086780 411700406 /nfs/dbraw/zinc/70/04/06/411700406.db2.gz HLDPFDYNMBUUGW-QMMMGPOBSA-N 1 2 235.291 1.548 20 0 BDADLO CCc1nnc([C@H](C)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000661086780 411700410 /nfs/dbraw/zinc/70/04/10/411700410.db2.gz HLDPFDYNMBUUGW-QMMMGPOBSA-N 1 2 235.291 1.548 20 0 BDADLO CCc1nnc(CNc2cc(C)[nH+]cn2)o1 ZINC000663746062 411737729 /nfs/dbraw/zinc/73/77/29/411737729.db2.gz WDWHYZWNRHNCEO-UHFFFAOYSA-N 1 2 219.248 1.343 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)CN1CCCC1=O ZINC000519038340 411738610 /nfs/dbraw/zinc/73/86/10/411738610.db2.gz ARDFLLGTCNAFPO-SNVBAGLBSA-N 1 2 248.330 1.516 20 0 BDADLO C[C@H](F)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661239699 411741286 /nfs/dbraw/zinc/74/12/86/411741286.db2.gz NJFNMQODVCAJOZ-IUCAKERBSA-N 1 2 242.298 1.528 20 0 BDADLO COc1cccc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000616945962 411746923 /nfs/dbraw/zinc/74/69/23/411746923.db2.gz KXRVFVZLDWHCOJ-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO O=C(C[N@H+]1CC[C@H]1c1ccc(F)cc1)N1CCC1 ZINC000661510348 411792330 /nfs/dbraw/zinc/79/23/30/411792330.db2.gz GGZSZJNEFACNLF-ZDUSSCGKSA-N 1 2 248.301 1.805 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]1c1ccc(F)cc1)N1CCC1 ZINC000661510348 411792333 /nfs/dbraw/zinc/79/23/33/411792333.db2.gz GGZSZJNEFACNLF-ZDUSSCGKSA-N 1 2 248.301 1.805 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CC(CO)C1 ZINC000663791117 411749303 /nfs/dbraw/zinc/74/93/03/411749303.db2.gz FZEBPUMTJQJOEW-UHFFFAOYSA-N 1 2 229.283 1.246 20 0 BDADLO CN(c1[nH+]ccc2c(N)cccc21)C1CC(O)C1 ZINC000663800644 411750242 /nfs/dbraw/zinc/75/02/42/411750242.db2.gz QBOCOBVUILLMFC-UHFFFAOYSA-N 1 2 243.310 1.777 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000661312559 411750453 /nfs/dbraw/zinc/75/04/53/411750453.db2.gz BDKBOKOLHFCGSI-ADEWGFFLSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000661312559 411750456 /nfs/dbraw/zinc/75/04/56/411750456.db2.gz BDKBOKOLHFCGSI-ADEWGFFLSA-N 1 2 248.330 1.740 20 0 BDADLO COCC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCC1 ZINC000661415586 411772218 /nfs/dbraw/zinc/77/22/18/411772218.db2.gz ZOHBGVHJUIKOGY-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO COCC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CCC1 ZINC000661415586 411772222 /nfs/dbraw/zinc/77/22/22/411772222.db2.gz ZOHBGVHJUIKOGY-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000661439508 411775115 /nfs/dbraw/zinc/77/51/15/411775115.db2.gz ZRKFWYBIYWYBHN-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC(F)F ZINC000661439508 411775122 /nfs/dbraw/zinc/77/51/22/411775122.db2.gz ZRKFWYBIYWYBHN-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CCCc1nsc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000663919261 411775692 /nfs/dbraw/zinc/77/56/92/411775692.db2.gz KRHHSYJUMGWQGA-UHFFFAOYSA-N 1 2 249.343 1.776 20 0 BDADLO Cc1nc(N[C@@H](C)[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000631495337 411787052 /nfs/dbraw/zinc/78/70/52/411787052.db2.gz ZGWZNWIVUWFVJG-XNCJUZBTSA-N 1 2 235.209 1.509 20 0 BDADLO OC[C@@H]([NH2+]Cc1noc(C2CC2)n1)C1CCC1 ZINC000661154110 411722976 /nfs/dbraw/zinc/72/29/76/411722976.db2.gz KZTBBTGSJQRNTH-SNVBAGLBSA-N 1 2 237.303 1.198 20 0 BDADLO Cn1cc(C[N@H+](C)C/C=C\c2ccccc2)nn1 ZINC000661750122 411864555 /nfs/dbraw/zinc/86/45/55/411864555.db2.gz VPRIORTXOJQXGF-TWGQIWQCSA-N 1 2 242.326 1.960 20 0 BDADLO Cn1cc(C[N@@H+](C)C/C=C\c2ccccc2)nn1 ZINC000661750122 411864560 /nfs/dbraw/zinc/86/45/60/411864560.db2.gz VPRIORTXOJQXGF-TWGQIWQCSA-N 1 2 242.326 1.960 20 0 BDADLO CCC(=O)CCC[N@H+](C)Cc1nnc(C)o1 ZINC000661529117 411795397 /nfs/dbraw/zinc/79/53/97/411795397.db2.gz NDQBYJHUSGJPFR-UHFFFAOYSA-N 1 2 225.292 1.569 20 0 BDADLO CCC(=O)CCC[N@@H+](C)Cc1nnc(C)o1 ZINC000661529117 411795401 /nfs/dbraw/zinc/79/54/01/411795401.db2.gz NDQBYJHUSGJPFR-UHFFFAOYSA-N 1 2 225.292 1.569 20 0 BDADLO CC[C@H](C)N(CC)C(=O)NCc1[nH+]ccn1C ZINC000663974022 411797010 /nfs/dbraw/zinc/79/70/10/411797010.db2.gz FMROQGRKABZWJM-JTQLQIEISA-N 1 2 238.335 1.750 20 0 BDADLO C[C@@H]1C[C@H](Nc2cnccn2)c2[nH+]ccn21 ZINC000663975723 411798603 /nfs/dbraw/zinc/79/86/03/411798603.db2.gz UGXITOBKHCWYRS-BDAKNGLRSA-N 1 2 215.260 1.791 20 0 BDADLO C[C@@H]1C[NH+](Cc2cncs2)C[C@@H](C)C1=O ZINC000661539238 411798634 /nfs/dbraw/zinc/79/86/34/411798634.db2.gz OPYKHTLJOYMLKW-RKDXNWHRSA-N 1 2 224.329 1.800 20 0 BDADLO CO[C@H](COc1cc[nH+]cc1)[C@H]1CCOC1 ZINC000664016494 411814125 /nfs/dbraw/zinc/81/41/25/411814125.db2.gz PPKXKINAQHCPQZ-CMPLNLGQSA-N 1 2 223.272 1.512 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2=CCCOC2)o1 ZINC000661658046 411832354 /nfs/dbraw/zinc/83/23/54/411832354.db2.gz PMWGJJWVTZPJPG-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2=CCCOC2)o1 ZINC000661658046 411832358 /nfs/dbraw/zinc/83/23/58/411832358.db2.gz PMWGJJWVTZPJPG-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661701474 411847247 /nfs/dbraw/zinc/84/72/47/411847247.db2.gz ANCRKZJVUXJZNW-KKZNHRDASA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661701474 411847251 /nfs/dbraw/zinc/84/72/51/411847251.db2.gz ANCRKZJVUXJZNW-KKZNHRDASA-N 1 2 239.344 1.567 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704989 411849748 /nfs/dbraw/zinc/84/97/48/411849748.db2.gz ZDNYVSJLQJXOIF-GXFFZTMASA-N 1 2 249.314 1.415 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704989 411849750 /nfs/dbraw/zinc/84/97/50/411849750.db2.gz ZDNYVSJLQJXOIF-GXFFZTMASA-N 1 2 249.314 1.415 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1cn(C)nn1 ZINC000661744298 411858795 /nfs/dbraw/zinc/85/87/95/411858795.db2.gz SVEQNTSHMGAIHY-GFCCVEGCSA-N 1 2 240.351 1.308 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661744298 411858799 /nfs/dbraw/zinc/85/87/99/411858799.db2.gz SVEQNTSHMGAIHY-GFCCVEGCSA-N 1 2 240.351 1.308 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1cn(C)nn1)C1CCC1 ZINC000661744509 411862347 /nfs/dbraw/zinc/86/23/47/411862347.db2.gz VDNSMLJQRFNCOP-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1cn(C)nn1)C1CCC1 ZINC000661744509 411862351 /nfs/dbraw/zinc/86/23/51/411862351.db2.gz VDNSMLJQRFNCOP-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631326632 411895667 /nfs/dbraw/zinc/89/56/67/411895667.db2.gz OCCRDEYGAKPSAN-RKDXNWHRSA-N 1 2 237.307 1.132 20 0 BDADLO CO[C@@H]1CCCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631326632 411895670 /nfs/dbraw/zinc/89/56/70/411895670.db2.gz OCCRDEYGAKPSAN-RKDXNWHRSA-N 1 2 237.307 1.132 20 0 BDADLO CCc1noc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)n1 ZINC000661835224 411900224 /nfs/dbraw/zinc/90/02/24/411900224.db2.gz APPBUQPTCQFDKH-DTWKUNHWSA-N 1 2 237.303 1.025 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1=CCCC1 ZINC000661961090 411920238 /nfs/dbraw/zinc/92/02/38/411920238.db2.gz XIWNJFOJPOMYOW-UHFFFAOYSA-N 1 2 234.303 1.661 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1=CCCC1 ZINC000661961090 411920241 /nfs/dbraw/zinc/92/02/41/411920241.db2.gz XIWNJFOJPOMYOW-UHFFFAOYSA-N 1 2 234.303 1.661 20 0 BDADLO O[C@]1(C2CC2)CCCN(c2cccc[nH+]2)C1 ZINC000664351423 411928842 /nfs/dbraw/zinc/92/88/42/411928842.db2.gz ILFASHPOGHWXEE-CYBMUJFWSA-N 1 2 218.300 1.823 20 0 BDADLO CO[C@@H](CNc1cc[nH+]c(C)n1)[C@@H]1CCOC1 ZINC000664160472 411875103 /nfs/dbraw/zinc/87/51/03/411875103.db2.gz DKNPLXGFSIDERN-MNOVXSKESA-N 1 2 237.303 1.248 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000664465617 411965887 /nfs/dbraw/zinc/96/58/87/411965887.db2.gz PICVRMOWMZVTMU-ZJUUUORDSA-N 1 2 219.288 1.500 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@@H]3C[C@@H]3C2)c1Cl ZINC000664525953 411977750 /nfs/dbraw/zinc/97/77/50/411977750.db2.gz RWMOOMQFTUZRNU-RNFRBKRXSA-N 1 2 224.695 1.558 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@@H]3C[C@@H]3C2)c1Cl ZINC000664525953 411977752 /nfs/dbraw/zinc/97/77/52/411977752.db2.gz RWMOOMQFTUZRNU-RNFRBKRXSA-N 1 2 224.695 1.558 20 0 BDADLO c1nc(N2CC[C@H]3C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000664526127 411977921 /nfs/dbraw/zinc/97/79/21/411977921.db2.gz SYKQEZLBLLUMGO-RYUDHWBXSA-N 1 2 244.342 1.923 20 0 BDADLO c1nc(N2CCCC2)cc(N2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000664526127 411977927 /nfs/dbraw/zinc/97/79/27/411977927.db2.gz SYKQEZLBLLUMGO-RYUDHWBXSA-N 1 2 244.342 1.923 20 0 BDADLO CC1=CCCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000662100088 411988306 /nfs/dbraw/zinc/98/83/06/411988306.db2.gz WXGXBUGQGDMOLP-NSHDSACASA-N 1 2 248.330 1.843 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000662122192 411991812 /nfs/dbraw/zinc/99/18/12/411991812.db2.gz XGQUHVKCNBVVJC-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ccnc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000662122192 411991815 /nfs/dbraw/zinc/99/18/15/411991815.db2.gz XGQUHVKCNBVVJC-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@H](O)C2)[nH+]1 ZINC000664644643 412004568 /nfs/dbraw/zinc/00/45/68/412004568.db2.gz SPAILVAQWCHTPA-ZKCHVHJHSA-N 1 2 218.260 1.202 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662144710 412006930 /nfs/dbraw/zinc/00/69/30/412006930.db2.gz UBWUOLNKNZCLQD-NGZCFLSTSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662144710 412006932 /nfs/dbraw/zinc/00/69/32/412006932.db2.gz UBWUOLNKNZCLQD-NGZCFLSTSA-N 1 2 241.360 1.549 20 0 BDADLO Cc1nc(N2CCO[C@](C)(C(F)F)C2)cc[nH+]1 ZINC000664684915 412010400 /nfs/dbraw/zinc/01/04/00/412010400.db2.gz OJWSRZYYMFISFU-NSHDSACASA-N 1 2 243.257 1.645 20 0 BDADLO Cc1nc(N2C[C@@H]3COC[C@@]3(C)C2)cc[nH+]1 ZINC000664415994 411947361 /nfs/dbraw/zinc/94/73/61/411947361.db2.gz BHHBUUODIBRXOF-ZYHUDNBSSA-N 1 2 219.288 1.258 20 0 BDADLO C[C@]12COC[C@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000664420746 411949714 /nfs/dbraw/zinc/94/97/14/411949714.db2.gz ZTWUYSQUYXIFOC-RISCZKNCSA-N 1 2 245.326 1.827 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc[nH+]c(C3CC3)n1)CC2 ZINC000664423689 411951641 /nfs/dbraw/zinc/95/16/41/411951641.db2.gz JGUMFUQYHCFDIJ-GXFFZTMASA-N 1 2 231.299 1.315 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2=CCSC2)n1C ZINC000662269847 412059658 /nfs/dbraw/zinc/05/96/58/412059658.db2.gz JDYJHZBHZIMILQ-UHFFFAOYSA-N 1 2 238.360 1.229 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2=CCSC2)n1C ZINC000662269847 412059662 /nfs/dbraw/zinc/05/96/62/412059662.db2.gz JDYJHZBHZIMILQ-UHFFFAOYSA-N 1 2 238.360 1.229 20 0 BDADLO CC[C@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662256771 412051473 /nfs/dbraw/zinc/05/14/73/412051473.db2.gz NZHGJRKSGSVVTA-QMMMGPOBSA-N 1 2 215.322 1.049 20 0 BDADLO CC[C@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662256771 412051475 /nfs/dbraw/zinc/05/14/75/412051475.db2.gz NZHGJRKSGSVVTA-QMMMGPOBSA-N 1 2 215.322 1.049 20 0 BDADLO CCC(O)(CC)C[N@H+](C)Cc1nnc(C)s1 ZINC000662255880 412051489 /nfs/dbraw/zinc/05/14/89/412051489.db2.gz FTEPVONTZBDAJJ-UHFFFAOYSA-N 1 2 243.376 1.829 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662255880 412051490 /nfs/dbraw/zinc/05/14/90/412051490.db2.gz FTEPVONTZBDAJJ-UHFFFAOYSA-N 1 2 243.376 1.829 20 0 BDADLO CC[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284289450 171003202 /nfs/dbraw/zinc/00/32/02/171003202.db2.gz FYFUEEAZRVZLGQ-HMDXOVGESA-N 1 2 219.288 1.681 20 0 BDADLO CC[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000267956274 171005574 /nfs/dbraw/zinc/00/55/74/171005574.db2.gz OMBJHCZHJBSBGE-SNVBAGLBSA-N 1 2 236.319 1.362 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nc(CCOC)no1 ZINC000330279272 171023647 /nfs/dbraw/zinc/02/36/47/171023647.db2.gz QUHRDLWIOOXMNF-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nc(CCOC)no1 ZINC000330279272 171023650 /nfs/dbraw/zinc/02/36/50/171023650.db2.gz QUHRDLWIOOXMNF-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330923697 171048276 /nfs/dbraw/zinc/04/82/76/171048276.db2.gz DRHUZAZNMMSDTO-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000341021926 171092815 /nfs/dbraw/zinc/09/28/15/171092815.db2.gz XBALASGYKQHRJN-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000341021926 171092817 /nfs/dbraw/zinc/09/28/17/171092817.db2.gz XBALASGYKQHRJN-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC000340570791 171097404 /nfs/dbraw/zinc/09/74/04/171097404.db2.gz PNVHNUNEOXJISR-NEPJUHHUSA-N 1 2 235.331 1.609 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000115576400 171106061 /nfs/dbraw/zinc/10/60/61/171106061.db2.gz CYOWJHQFACCUOG-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCCCC1 ZINC000115576400 171106064 /nfs/dbraw/zinc/10/60/64/171106064.db2.gz CYOWJHQFACCUOG-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cncn1C ZINC000267598112 171113425 /nfs/dbraw/zinc/11/34/25/171113425.db2.gz KXVXVPXLSYIUOP-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cncn1C ZINC000267598112 171113427 /nfs/dbraw/zinc/11/34/27/171113427.db2.gz KXVXVPXLSYIUOP-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1Cc1c[nH+]cn1C ZINC000267598112 171113428 /nfs/dbraw/zinc/11/34/28/171113428.db2.gz KXVXVPXLSYIUOP-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)ncn1 ZINC000292243911 171114704 /nfs/dbraw/zinc/11/47/04/171114704.db2.gz TVVHIMFJDSEPEE-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)ncn1 ZINC000292243911 171114707 /nfs/dbraw/zinc/11/47/07/171114707.db2.gz TVVHIMFJDSEPEE-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354334336 171127837 /nfs/dbraw/zinc/12/78/37/171127837.db2.gz ZWTBCOFOFOAXAG-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000281509160 171154234 /nfs/dbraw/zinc/15/42/34/171154234.db2.gz HOVURPPKVGUESC-WCQYABFASA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000354813121 171201163 /nfs/dbraw/zinc/20/11/63/171201163.db2.gz MJFBKZQSPHZLAW-ZDUSSCGKSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374661139 171205929 /nfs/dbraw/zinc/20/59/29/171205929.db2.gz LAXMRVJNLWOHSW-RISCZKNCSA-N 1 2 247.342 1.970 20 0 BDADLO CC[C@@]1(O)CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336291191 171212212 /nfs/dbraw/zinc/21/22/12/171212212.db2.gz AKUAUCPANHYDJF-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000263769117 171245396 /nfs/dbraw/zinc/24/53/96/171245396.db2.gz JNFNHALJKKLBBO-CHWSQXEVSA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000263769117 171245397 /nfs/dbraw/zinc/24/53/97/171245397.db2.gz JNFNHALJKKLBBO-CHWSQXEVSA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358385678 171262860 /nfs/dbraw/zinc/26/28/60/171262860.db2.gz LYTCGJWMKWWMFT-UWVGGRQHSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358385678 171262862 /nfs/dbraw/zinc/26/28/62/171262862.db2.gz LYTCGJWMKWWMFT-UWVGGRQHSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000359710641 171263143 /nfs/dbraw/zinc/26/31/43/171263143.db2.gz IOPMKIFMCLVPEO-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO CC[C@H](C)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049269317 171303116 /nfs/dbraw/zinc/30/31/16/171303116.db2.gz MILGWDZTSSNZPP-MNOVXSKESA-N 1 2 238.335 1.712 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccccn1 ZINC000281265642 171311787 /nfs/dbraw/zinc/31/17/87/171311787.db2.gz NJWFKWOFBKHXHB-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccccn1 ZINC000281265642 171311788 /nfs/dbraw/zinc/31/17/88/171311788.db2.gz NJWFKWOFBKHXHB-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000180806162 171323136 /nfs/dbraw/zinc/32/31/36/171323136.db2.gz ITASPLXMGVVIHL-RYUDHWBXSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000180806162 171323137 /nfs/dbraw/zinc/32/31/37/171323137.db2.gz ITASPLXMGVVIHL-RYUDHWBXSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000356036541 171324845 /nfs/dbraw/zinc/32/48/45/171324845.db2.gz OQBSCSNTCZQBBI-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000356036541 171324847 /nfs/dbraw/zinc/32/48/47/171324847.db2.gz OQBSCSNTCZQBBI-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569836 171331284 /nfs/dbraw/zinc/33/12/84/171331284.db2.gz HDPSSCBMFMAHFN-HBNTYKKESA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569836 171331285 /nfs/dbraw/zinc/33/12/85/171331285.db2.gz HDPSSCBMFMAHFN-HBNTYKKESA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000266342910 171334792 /nfs/dbraw/zinc/33/47/92/171334792.db2.gz IMPBAGUCIPNYIY-IUCAKERBSA-N 1 2 236.319 1.500 20 0 BDADLO CC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309091705 171350439 /nfs/dbraw/zinc/35/04/39/171350439.db2.gz CLTDTYGUFZTRBD-ZETCQYMHSA-N 1 2 209.297 1.456 20 0 BDADLO CC[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309091705 171350440 /nfs/dbraw/zinc/35/04/40/171350440.db2.gz CLTDTYGUFZTRBD-ZETCQYMHSA-N 1 2 209.297 1.456 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000355785608 171380015 /nfs/dbraw/zinc/38/00/15/171380015.db2.gz ABQFUNZGSLDVDA-JOYOIKCWSA-N 1 2 236.315 1.812 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccnc1 ZINC000665104183 412094833 /nfs/dbraw/zinc/09/48/33/412094833.db2.gz FNBQJYITGLLXHR-GHMZBOCLSA-N 1 2 242.282 1.557 20 0 BDADLO O=C(Nc1cccnc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000665105437 412096676 /nfs/dbraw/zinc/09/66/76/412096676.db2.gz UJIIXRQOZGDECV-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO C[C@]1(C(F)F)CN(CCn2cc[nH+]c2)CCO1 ZINC000662371541 412127232 /nfs/dbraw/zinc/12/72/32/412127232.db2.gz JQARKZMAIVXTMV-LLVKDONJSA-N 1 2 245.273 1.239 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCn2ccnc2)CCO1 ZINC000662371541 412127237 /nfs/dbraw/zinc/12/72/37/412127237.db2.gz JQARKZMAIVXTMV-LLVKDONJSA-N 1 2 245.273 1.239 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCn2ccnc2)CCO1 ZINC000662371541 412127239 /nfs/dbraw/zinc/12/72/39/412127239.db2.gz JQARKZMAIVXTMV-LLVKDONJSA-N 1 2 245.273 1.239 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CC3CC2(C)C3)n1 ZINC000662384920 412136057 /nfs/dbraw/zinc/13/60/57/412136057.db2.gz BJLPAQCBIJKRGA-UHFFFAOYSA-N 1 2 222.292 1.120 20 0 BDADLO CN(C)c1noc(C[N@H+]2CC3CC2(C)C3)n1 ZINC000662384920 412136061 /nfs/dbraw/zinc/13/60/61/412136061.db2.gz BJLPAQCBIJKRGA-UHFFFAOYSA-N 1 2 222.292 1.120 20 0 BDADLO CC[C@](C)([NH2+]CCOCC(C)C)C(=O)OC ZINC000336721925 171698192 /nfs/dbraw/zinc/69/81/92/171698192.db2.gz DQEDYYHGUHXQAO-LBPRGKRZSA-N 1 2 231.336 1.590 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)NCCn1cc[nH+]c1 ZINC000663235123 412397469 /nfs/dbraw/zinc/39/74/69/412397469.db2.gz HERUWNZKLVPOBQ-GFCCVEGCSA-N 1 2 236.319 1.371 20 0 BDADLO CCc1nnc([C@@H](C)NCc2[nH+]cc(C)n2C)[nH]1 ZINC000341268772 172001691 /nfs/dbraw/zinc/00/16/91/172001691.db2.gz ZOYFNXCNYRJRHT-SECBINFHSA-N 1 2 248.334 1.260 20 0 BDADLO CCc1nn(C)cc1CNc1cccc[nH+]1 ZINC000092372432 172041832 /nfs/dbraw/zinc/04/18/32/172041832.db2.gz LJSGAKMDDSYLLA-UHFFFAOYSA-N 1 2 216.288 1.990 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOCC[C@H]2C)o1 ZINC000362469571 172049461 /nfs/dbraw/zinc/04/94/61/172049461.db2.gz CRYKUUFHNZNTJM-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCOCC[C@H]2C)o1 ZINC000362469571 172049462 /nfs/dbraw/zinc/04/94/62/172049462.db2.gz CRYKUUFHNZNTJM-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(SCCc2c[nH+]cn2C)[nH]1 ZINC000287399068 172062159 /nfs/dbraw/zinc/06/21/59/172062159.db2.gz BLYMPHLZLJHCHF-UHFFFAOYSA-N 1 2 237.332 1.435 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCCOCC2)o1 ZINC000408130587 172064718 /nfs/dbraw/zinc/06/47/18/172064718.db2.gz VSONTCMFILSQHC-SECBINFHSA-N 1 2 225.292 1.415 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCCOCC2)o1 ZINC000408130587 172064721 /nfs/dbraw/zinc/06/47/21/172064721.db2.gz VSONTCMFILSQHC-SECBINFHSA-N 1 2 225.292 1.415 20 0 BDADLO CCc1noc(C)c1C[N@H+](C)CC(=O)N(C)C ZINC000162595634 172076418 /nfs/dbraw/zinc/07/64/18/172076418.db2.gz WEWLHRWYDDZUOX-UHFFFAOYSA-N 1 2 239.319 1.065 20 0 BDADLO CCc1noc(C)c1C[N@@H+](C)CC(=O)N(C)C ZINC000162595634 172076422 /nfs/dbraw/zinc/07/64/22/172076422.db2.gz WEWLHRWYDDZUOX-UHFFFAOYSA-N 1 2 239.319 1.065 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368787432 172088772 /nfs/dbraw/zinc/08/87/72/172088772.db2.gz VWFPCJFFHMFIIP-BDAKNGLRSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368787432 172088774 /nfs/dbraw/zinc/08/87/74/172088774.db2.gz VWFPCJFFHMFIIP-BDAKNGLRSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)n1 ZINC000264341707 172089373 /nfs/dbraw/zinc/08/93/73/172089373.db2.gz CJMSIOIITLDTAM-NXEZZACHSA-N 1 2 249.318 1.568 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368787434 172091503 /nfs/dbraw/zinc/09/15/03/172091503.db2.gz VWFPCJFFHMFIIP-IUCAKERBSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368787434 172091504 /nfs/dbraw/zinc/09/15/04/172091504.db2.gz VWFPCJFFHMFIIP-IUCAKERBSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CCCF)n1 ZINC000369313375 172091525 /nfs/dbraw/zinc/09/15/25/172091525.db2.gz ZVGHSTBQFOWGIW-DTWKUNHWSA-N 1 2 243.282 1.099 20 0 BDADLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CCCF)n1 ZINC000369313375 172091528 /nfs/dbraw/zinc/09/15/28/172091528.db2.gz ZVGHSTBQFOWGIW-DTWKUNHWSA-N 1 2 243.282 1.099 20 0 BDADLO CCc1nsc(NCc2ccc(N)[nH+]c2)n1 ZINC000276650967 172107071 /nfs/dbraw/zinc/10/70/71/172107071.db2.gz ZDOKQIAFWOVTAK-UHFFFAOYSA-N 1 2 235.316 1.690 20 0 BDADLO CCc1onc(C)c1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000270439130 172125950 /nfs/dbraw/zinc/12/59/50/172125950.db2.gz WXRZHJIHDBFMKO-VIFPVBQESA-N 1 2 237.303 1.578 20 0 BDADLO CCc1onc(C)c1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000270439130 172125952 /nfs/dbraw/zinc/12/59/52/172125952.db2.gz WXRZHJIHDBFMKO-VIFPVBQESA-N 1 2 237.303 1.578 20 0 BDADLO CCn1ccnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000102769900 172218116 /nfs/dbraw/zinc/21/81/16/172218116.db2.gz GZSDNEPAFUMTBD-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000102769900 172218118 /nfs/dbraw/zinc/21/81/18/172218118.db2.gz GZSDNEPAFUMTBD-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000373446268 172219232 /nfs/dbraw/zinc/21/92/32/172219232.db2.gz CETKHLBANRNMSB-ZYHUDNBSSA-N 1 2 249.314 1.040 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCc1ccco1 ZINC000295770567 172222503 /nfs/dbraw/zinc/22/25/03/172222503.db2.gz PDTGJWIHEFJUCR-UHFFFAOYSA-N 1 2 247.298 1.745 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000366383160 172222628 /nfs/dbraw/zinc/22/26/28/172222628.db2.gz ZCZAEQWUZRJJOD-WCQYABFASA-N 1 2 249.358 1.902 20 0 BDADLO CCn1cc[nH+]c1CNc1ncc(Cl)cn1 ZINC000295086797 172226279 /nfs/dbraw/zinc/22/62/79/172226279.db2.gz YNNNBPDWBOWORA-UHFFFAOYSA-N 1 2 237.694 1.959 20 0 BDADLO CCn1cc[nH+]c1CNc1ccc(OC)nc1 ZINC000051920661 172226849 /nfs/dbraw/zinc/22/68/49/172226849.db2.gz ROJPOWAFTNXHDK-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1occc1C ZINC000164431410 172237114 /nfs/dbraw/zinc/23/71/14/172237114.db2.gz JSJNPEOGBXDBOR-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1ncc(C(=O)Nc2ccc(C)[nH+]c2C)n1 ZINC000294849082 172253976 /nfs/dbraw/zinc/25/39/76/172253976.db2.gz FUOJSXMOBVICQB-UHFFFAOYSA-N 1 2 245.286 1.562 20 0 BDADLO CCn1nccc1C[N@@H+]1CCn2cncc2C1 ZINC000291637587 172268322 /nfs/dbraw/zinc/26/83/22/172268322.db2.gz SWCQRILNLTWZKW-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1nccc1C[N@H+]1CCn2cncc2C1 ZINC000291637587 172268323 /nfs/dbraw/zinc/26/83/23/172268323.db2.gz SWCQRILNLTWZKW-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1occc1C ZINC000336659616 172281599 /nfs/dbraw/zinc/28/15/99/172281599.db2.gz NHTHLLMLIDVPII-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1nncc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000293583831 172290451 /nfs/dbraw/zinc/29/04/51/172290451.db2.gz FAVFOZQBQSYWRK-UHFFFAOYSA-N 1 2 231.259 1.254 20 0 BDADLO CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000339163015 172307108 /nfs/dbraw/zinc/30/71/08/172307108.db2.gz FYBQIPPPFTUAAQ-NSHDSACASA-N 1 2 235.331 1.610 20 0 BDADLO CN(C(=O)CCc1c[nH+]cn1C)C1CCC1 ZINC000276656356 172307091 /nfs/dbraw/zinc/30/70/91/172307091.db2.gz XJOPELLBVQPJKC-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000336259795 172309136 /nfs/dbraw/zinc/30/91/36/172309136.db2.gz UKLXCJHQZJBBEB-NSHDSACASA-N 1 2 236.290 1.693 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000336259795 172309139 /nfs/dbraw/zinc/30/91/39/172309139.db2.gz UKLXCJHQZJBBEB-NSHDSACASA-N 1 2 236.290 1.693 20 0 BDADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000119016666 172328484 /nfs/dbraw/zinc/32/84/84/172328484.db2.gz FJTHEGGPELFCIK-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000336566229 172334814 /nfs/dbraw/zinc/33/48/14/172334814.db2.gz OVNVQKRWUFGZOX-QWRGUYRKSA-N 1 2 247.342 1.702 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000377198092 172365807 /nfs/dbraw/zinc/36/58/07/172365807.db2.gz SJGRXZZEESEYII-SECBINFHSA-N 1 2 239.344 1.368 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000377198092 172365808 /nfs/dbraw/zinc/36/58/08/172365808.db2.gz SJGRXZZEESEYII-SECBINFHSA-N 1 2 239.344 1.368 20 0 BDADLO CN(CC[NH2+][C@@]1(C)CCOC1=O)c1ccccc1 ZINC000289578313 172745572 /nfs/dbraw/zinc/74/55/72/172745572.db2.gz OWRGZIDYVZLFLR-AWEZNQCLSA-N 1 2 248.326 1.418 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000119954450 173029573 /nfs/dbraw/zinc/02/95/73/173029573.db2.gz VZOXLCCCRWEUNG-SSDOTTSWSA-N 1 2 211.290 1.176 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000119954450 173029575 /nfs/dbraw/zinc/02/95/75/173029575.db2.gz VZOXLCCCRWEUNG-SSDOTTSWSA-N 1 2 211.290 1.176 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(O)cc1F ZINC000119430712 173024114 /nfs/dbraw/zinc/02/41/14/173024114.db2.gz KOJJMFCRPXLQDH-LLVKDONJSA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(O)cc1F ZINC000119430712 173024115 /nfs/dbraw/zinc/02/41/15/173024115.db2.gz KOJJMFCRPXLQDH-LLVKDONJSA-N 1 2 238.262 1.564 20 0 BDADLO CN1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC000376986589 173038422 /nfs/dbraw/zinc/03/84/22/173038422.db2.gz CVJAFLUZUCGCBE-AWEZNQCLSA-N 1 2 245.326 1.530 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2ccc(Cl)cn2)C1 ZINC000085502216 173101643 /nfs/dbraw/zinc/10/16/43/173101643.db2.gz OPTXCLIHQJPGLH-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2ccc(Cl)cn2)C1 ZINC000085502216 173101646 /nfs/dbraw/zinc/10/16/46/173101646.db2.gz OPTXCLIHQJPGLH-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO CN1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CCC1=O ZINC000150878807 173188015 /nfs/dbraw/zinc/18/80/15/173188015.db2.gz RWFFWBJQYFIJMV-JTQLQIEISA-N 1 2 246.314 1.387 20 0 BDADLO CNC(=O)CCN(C)c1ccc2ccccc2[nH+]1 ZINC000171921104 173249820 /nfs/dbraw/zinc/24/98/20/173249820.db2.gz UGSHMABCVUOYGW-UHFFFAOYSA-N 1 2 243.310 1.807 20 0 BDADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000368399716 173273657 /nfs/dbraw/zinc/27/36/57/173273657.db2.gz ZIBGQPKVFWKKCY-MRVPVSSYSA-N 1 2 225.317 1.026 20 0 BDADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000368399716 173273658 /nfs/dbraw/zinc/27/36/58/173273658.db2.gz ZIBGQPKVFWKKCY-MRVPVSSYSA-N 1 2 225.317 1.026 20 0 BDADLO CNC(=O)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000042571556 173295534 /nfs/dbraw/zinc/29/55/34/173295534.db2.gz VHCHXKAXJFHOFH-SECBINFHSA-N 1 2 236.319 1.455 20 0 BDADLO CNC(=O)[C@H](C)[NH2+]Cc1ncc(C(C)C)s1 ZINC000309487890 173302958 /nfs/dbraw/zinc/30/29/58/173302958.db2.gz WAMMIQSJJLIUAZ-QMMMGPOBSA-N 1 2 241.360 1.491 20 0 BDADLO CNC(=O)[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000042561658 173303418 /nfs/dbraw/zinc/30/34/18/173303418.db2.gz QIVWXQABEDGHIW-RQJHMYQMSA-N 1 2 227.333 1.237 20 0 BDADLO CNC(=O)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368325702 173310319 /nfs/dbraw/zinc/31/03/19/173310319.db2.gz AOQOXHIVEHWHHG-OLZOCXBDSA-N 1 2 246.310 1.019 20 0 BDADLO CNC(=O)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368325702 173310320 /nfs/dbraw/zinc/31/03/20/173310320.db2.gz AOQOXHIVEHWHHG-OLZOCXBDSA-N 1 2 246.310 1.019 20 0 BDADLO CNC(=O)c1ccccc1NCc1[nH+]ccn1C ZINC000096982247 173312691 /nfs/dbraw/zinc/31/26/91/173312691.db2.gz FPKQTGHFDXDRPF-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO C[NH2+]Cc1noc(C2Cc3ccccc3C2)n1 ZINC000234413306 173399253 /nfs/dbraw/zinc/39/92/53/173399253.db2.gz FHNQKBAZISGRCO-UHFFFAOYSA-N 1 2 229.283 1.671 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374825141 173780098 /nfs/dbraw/zinc/78/00/98/173780098.db2.gz XZRSYFVNIJWZRS-GWCFXTLKSA-N 1 2 249.310 1.487 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374825141 173780100 /nfs/dbraw/zinc/78/01/00/173780100.db2.gz XZRSYFVNIJWZRS-GWCFXTLKSA-N 1 2 249.310 1.487 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccco1 ZINC000456342674 487627576 /nfs/dbraw/zinc/62/75/76/487627576.db2.gz FBSSOMMWKYLGKR-JTQLQIEISA-N 1 2 247.298 1.916 20 0 BDADLO COCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296186009 174063153 /nfs/dbraw/zinc/06/31/53/174063153.db2.gz PXZKTCAQHLXDLI-UHFFFAOYSA-N 1 2 234.255 1.434 20 0 BDADLO COCC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000270174656 174066711 /nfs/dbraw/zinc/06/67/11/174066711.db2.gz LVCMRKDIDDZAPW-UHFFFAOYSA-N 1 2 225.292 1.007 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1cn[nH]c1C ZINC000292744149 174077730 /nfs/dbraw/zinc/07/77/30/174077730.db2.gz HURDZMIMDLBZHE-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1cn[nH]c1C ZINC000292744149 174077732 /nfs/dbraw/zinc/07/77/32/174077732.db2.gz HURDZMIMDLBZHE-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO COCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000339652661 174135881 /nfs/dbraw/zinc/13/58/81/174135881.db2.gz ZPQXCPKXNMEXPF-UHFFFAOYSA-N 1 2 245.282 1.847 20 0 BDADLO COCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000339677114 174137786 /nfs/dbraw/zinc/13/77/86/174137786.db2.gz BXKISFQZZDLIPJ-UHFFFAOYSA-N 1 2 245.282 1.847 20 0 BDADLO COCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000171271398 174137972 /nfs/dbraw/zinc/13/79/72/174137972.db2.gz JXXZLDLLODFAET-UHFFFAOYSA-N 1 2 223.276 1.123 20 0 BDADLO COCCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283592460 174180321 /nfs/dbraw/zinc/18/03/21/174180321.db2.gz XNTGLGWXCXELAK-AATRIKPKSA-N 1 2 237.303 1.356 20 0 BDADLO COCCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000365305478 174191696 /nfs/dbraw/zinc/19/16/96/174191696.db2.gz HGGGKLBYJXRSFT-SNVBAGLBSA-N 1 2 225.292 1.633 20 0 BDADLO COCCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000365305478 174191697 /nfs/dbraw/zinc/19/16/97/174191697.db2.gz HGGGKLBYJXRSFT-SNVBAGLBSA-N 1 2 225.292 1.633 20 0 BDADLO COCCCOCC[N@H+](C)Cc1cc(C)on1 ZINC000091102058 174254394 /nfs/dbraw/zinc/25/43/94/174254394.db2.gz WNBUBFHEKXOTNG-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1cc(C)on1 ZINC000091102058 174254395 /nfs/dbraw/zinc/25/43/95/174254395.db2.gz WNBUBFHEKXOTNG-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO COCC[N@H+](CC(=O)c1cccn1C)C1CC1 ZINC000042338844 174286410 /nfs/dbraw/zinc/28/64/10/174286410.db2.gz NZWFTPASWMXWEI-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO COCC[N@@H+](CC(=O)c1cccn1C)C1CC1 ZINC000042338844 174286412 /nfs/dbraw/zinc/28/64/12/174286412.db2.gz NZWFTPASWMXWEI-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO COCCN(CCCn1cc[nH+]c1)CC(F)F ZINC000182751073 174291205 /nfs/dbraw/zinc/29/12/05/174291205.db2.gz SADWNTMDGITNNP-UHFFFAOYSA-N 1 2 247.289 1.487 20 0 BDADLO COCC[N@H+](Cc1ccsc1)[C@H](C)C(N)=O ZINC000093139534 174301118 /nfs/dbraw/zinc/30/11/18/174301118.db2.gz ZTDMAQCBDGQCBV-SECBINFHSA-N 1 2 242.344 1.070 20 0 BDADLO COCC[N@@H+](Cc1ccsc1)[C@H](C)C(N)=O ZINC000093139534 174301119 /nfs/dbraw/zinc/30/11/19/174301119.db2.gz ZTDMAQCBDGQCBV-SECBINFHSA-N 1 2 242.344 1.070 20 0 BDADLO COCC[N@H+](Cc1c[nH]cn1)[C@@H]1CCO[C@@H]1C ZINC000361332745 174301207 /nfs/dbraw/zinc/30/12/07/174301207.db2.gz VOCIKJVMDTVZJC-ZYHUDNBSSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1c[nH]cn1)[C@@H]1CCO[C@@H]1C ZINC000361332745 174301208 /nfs/dbraw/zinc/30/12/08/174301208.db2.gz VOCIKJVMDTVZJC-ZYHUDNBSSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@H+](Cc1cnc[nH]1)[C@@H]1CCO[C@@H]1C ZINC000361332745 174301210 /nfs/dbraw/zinc/30/12/10/174301210.db2.gz VOCIKJVMDTVZJC-ZYHUDNBSSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cnc[nH]1)[C@@H]1CCO[C@@H]1C ZINC000361332745 174301211 /nfs/dbraw/zinc/30/12/11/174301211.db2.gz VOCIKJVMDTVZJC-ZYHUDNBSSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@H+](Cc1c[nH]cn1)[C@H]1CCO[C@H]1C ZINC000361332743 174301572 /nfs/dbraw/zinc/30/15/72/174301572.db2.gz VOCIKJVMDTVZJC-JQWIXIFHSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1c[nH]cn1)[C@H]1CCO[C@H]1C ZINC000361332743 174301573 /nfs/dbraw/zinc/30/15/73/174301573.db2.gz VOCIKJVMDTVZJC-JQWIXIFHSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@H+](Cc1cnc[nH]1)[C@H]1CCO[C@H]1C ZINC000361332743 174301575 /nfs/dbraw/zinc/30/15/75/174301575.db2.gz VOCIKJVMDTVZJC-JQWIXIFHSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cnc[nH]1)[C@H]1CCO[C@H]1C ZINC000361332743 174301576 /nfs/dbraw/zinc/30/15/76/174301576.db2.gz VOCIKJVMDTVZJC-JQWIXIFHSA-N 1 2 239.319 1.036 20 0 BDADLO COCCN1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000267394504 174310157 /nfs/dbraw/zinc/31/01/57/174310157.db2.gz OECWHZKIMTVMEO-ZDUSSCGKSA-N 1 2 249.358 1.407 20 0 BDADLO COCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116893560 174311328 /nfs/dbraw/zinc/31/13/28/174311328.db2.gz TUUBTUCCKLWRDP-LLVKDONJSA-N 1 2 225.288 1.608 20 0 BDADLO COCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116893560 174311329 /nfs/dbraw/zinc/31/13/29/174311329.db2.gz TUUBTUCCKLWRDP-LLVKDONJSA-N 1 2 225.288 1.608 20 0 BDADLO COCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000368321297 174330313 /nfs/dbraw/zinc/33/03/13/174330313.db2.gz JZSYLMJGABNYMO-UHFFFAOYSA-N 1 2 247.245 1.622 20 0 BDADLO COCC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000309835990 174339172 /nfs/dbraw/zinc/33/91/72/174339172.db2.gz LUVLZTRBQBLZOM-LLVKDONJSA-N 1 2 225.292 1.239 20 0 BDADLO COCCO[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000338952517 174366885 /nfs/dbraw/zinc/36/68/85/174366885.db2.gz OLXATWIQYSCLRM-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO COCCO[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000338952517 174366886 /nfs/dbraw/zinc/36/68/86/174366886.db2.gz OLXATWIQYSCLRM-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000234838573 174779851 /nfs/dbraw/zinc/77/98/51/174779851.db2.gz LFXPKALLFMPSRG-DTWKUNHWSA-N 1 2 225.292 1.281 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2ncnn2C)ccn1 ZINC000340524285 175014446 /nfs/dbraw/zinc/01/44/46/175014446.db2.gz HKTKUKPNTKVZSM-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)nc1 ZINC000272134134 175100913 /nfs/dbraw/zinc/10/09/13/175100913.db2.gz SUNAMFOPDMIVON-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)nc1 ZINC000272134134 175100915 /nfs/dbraw/zinc/10/09/15/175100915.db2.gz SUNAMFOPDMIVON-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)nn1 ZINC000338265057 175101300 /nfs/dbraw/zinc/10/13/00/175101300.db2.gz UGQIKYMRWHVRSW-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)nn1 ZINC000338265057 175101301 /nfs/dbraw/zinc/10/13/01/175101301.db2.gz UGQIKYMRWHVRSW-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1O ZINC000132171321 175101387 /nfs/dbraw/zinc/10/13/87/175101387.db2.gz YPCSMPQPSYWADY-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1O ZINC000132171321 175101389 /nfs/dbraw/zinc/10/13/89/175101389.db2.gz YPCSMPQPSYWADY-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CCC3)nn1 ZINC000338271910 175101852 /nfs/dbraw/zinc/10/18/52/175101852.db2.gz AFVJPRDBHHZXFR-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CCC3)nn1 ZINC000338271910 175101854 /nfs/dbraw/zinc/10/18/54/175101854.db2.gz AFVJPRDBHHZXFR-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1ccc(NCCCn2cc[nH+]c2)cn1 ZINC000049327554 175150537 /nfs/dbraw/zinc/15/05/37/175150537.db2.gz NNLMVADTUQSQMW-UHFFFAOYSA-N 1 2 232.287 1.789 20 0 BDADLO COc1ccc2c(ncnc2-n2cc[nH+]c2)c1F ZINC000337208375 175202783 /nfs/dbraw/zinc/20/27/83/175202783.db2.gz QLWSUQKVHPFYOF-UHFFFAOYSA-N 1 2 244.229 1.963 20 0 BDADLO COc1ccc2c(c1)C[N@H+]([C@H]1CCOC1=O)CC2 ZINC000171109549 175210461 /nfs/dbraw/zinc/21/04/61/175210461.db2.gz FXLRBYVWSFWHNY-ZDUSSCGKSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccc2c(c1)C[N@@H+]([C@H]1CCOC1=O)CC2 ZINC000171109549 175210463 /nfs/dbraw/zinc/21/04/63/175210463.db2.gz FXLRBYVWSFWHNY-ZDUSSCGKSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccc2c(c1)C[N@H+]([C@@H]1CCOC1=O)CC2 ZINC000171109545 175210581 /nfs/dbraw/zinc/21/05/81/175210581.db2.gz FXLRBYVWSFWHNY-CYBMUJFWSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1=O)CC2 ZINC000171109545 175210583 /nfs/dbraw/zinc/21/05/83/175210583.db2.gz FXLRBYVWSFWHNY-CYBMUJFWSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccc2c(c1)[nH+]c(CCO)n2C ZINC000075864296 175219202 /nfs/dbraw/zinc/21/92/02/175219202.db2.gz ZHNPJVQEGFWCIC-UHFFFAOYSA-N 1 2 206.245 1.117 20 0 BDADLO COc1cccc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000041532932 175245760 /nfs/dbraw/zinc/24/57/60/175245760.db2.gz IZKDUKUGMLQBEM-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2cnn(C)n2)c1 ZINC000289729439 175255349 /nfs/dbraw/zinc/25/53/49/175255349.db2.gz HKVJIGZDYFZAPX-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2cnn(C)n2)c1 ZINC000289729439 175255350 /nfs/dbraw/zinc/25/53/50/175255350.db2.gz HKVJIGZDYFZAPX-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[NH+]2CC(C)(OC)C2)c1 ZINC000362309778 175256674 /nfs/dbraw/zinc/25/66/74/175256674.db2.gz SPONFKNGLCQKOC-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO COc1cccc(C[N@@H+]2CCOCC2(C)C)n1 ZINC000264792204 175258375 /nfs/dbraw/zinc/25/83/75/175258375.db2.gz CGXSKYFEYJBMAV-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cccc(C[N@H+]2CCOCC2(C)C)n1 ZINC000264792204 175258377 /nfs/dbraw/zinc/25/83/77/175258377.db2.gz CGXSKYFEYJBMAV-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2ncnn2C)n1 ZINC000359696716 175267029 /nfs/dbraw/zinc/26/70/29/175267029.db2.gz PCLAEOJNBBSPNB-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccccc1C[NH+]1CC(C)(OC)C1 ZINC000362325325 175325814 /nfs/dbraw/zinc/32/58/14/175325814.db2.gz RSPQAVFJMSUAGB-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO COc1ccnc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090009269 175359036 /nfs/dbraw/zinc/35/90/36/175359036.db2.gz CQOUYBJOGNQYNM-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccnc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090009269 175359039 /nfs/dbraw/zinc/35/90/39/175359039.db2.gz CQOUYBJOGNQYNM-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc[nH+]c(CN2CCOC[C@H]2C2CC2)c1 ZINC000090009269 175359040 /nfs/dbraw/zinc/35/90/40/175359040.db2.gz CQOUYBJOGNQYNM-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000287853279 175369330 /nfs/dbraw/zinc/36/93/30/175369330.db2.gz RHHBYUVTKAXDMR-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000287853279 175369333 /nfs/dbraw/zinc/36/93/33/175369333.db2.gz RHHBYUVTKAXDMR-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[C@H]1C ZINC000292869473 175370086 /nfs/dbraw/zinc/37/00/86/175370086.db2.gz BUSYGXJHVJWMAZ-ZJUUUORDSA-N 1 2 249.314 1.545 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CCC(C)=O ZINC000293370621 175370299 /nfs/dbraw/zinc/37/02/99/175370299.db2.gz NHFKITOQCWOOPE-UHFFFAOYSA-N 1 2 236.271 1.076 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C=C(C)C ZINC000293360550 175370337 /nfs/dbraw/zinc/37/03/37/175370337.db2.gz MKDXXABCUOZBDA-UHFFFAOYSA-N 1 2 220.272 1.673 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@H](C)C1CC1 ZINC000292383826 175372528 /nfs/dbraw/zinc/37/25/28/175372528.db2.gz UTGLNXHPBVAHLS-SECBINFHSA-N 1 2 249.314 1.688 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CC1(F)F ZINC000297016751 175373171 /nfs/dbraw/zinc/37/31/71/175373171.db2.gz ZCKXMKZVCHZIBH-QMMMGPOBSA-N 1 2 243.209 1.789 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1c[nH]nc1C ZINC000194835904 175376180 /nfs/dbraw/zinc/37/61/80/175376180.db2.gz ICRWVONUUBGKHQ-UHFFFAOYSA-N 1 2 232.243 1.374 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000271046542 175378172 /nfs/dbraw/zinc/37/81/72/175378172.db2.gz REVBGONGBLIQTM-VIFPVBQESA-N 1 2 227.329 1.977 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@@H](C)C1 ZINC000271046542 175378174 /nfs/dbraw/zinc/37/81/74/175378174.db2.gz REVBGONGBLIQTM-VIFPVBQESA-N 1 2 227.329 1.977 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000290290221 175385995 /nfs/dbraw/zinc/38/59/95/175385995.db2.gz MSFNZKJIYPWMEM-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000290290221 175385996 /nfs/dbraw/zinc/38/59/96/175385996.db2.gz MSFNZKJIYPWMEM-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1nc(C)cc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368325973 175389923 /nfs/dbraw/zinc/38/99/23/175389923.db2.gz BPXFKHUGGDKISF-QWHCGFSZSA-N 1 2 248.326 1.680 20 0 BDADLO COc1nc(C)cc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368325973 175389925 /nfs/dbraw/zinc/38/99/25/175389925.db2.gz BPXFKHUGGDKISF-QWHCGFSZSA-N 1 2 248.326 1.680 20 0 BDADLO COc1ncc(C)cc1NCc1c[nH+]cn1C ZINC000119878890 175398490 /nfs/dbraw/zinc/39/84/90/175398490.db2.gz PWANQAFCGKUMGG-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[C@@H](CNC(=O)C(C)(F)F)Cn1cc[nH+]c1 ZINC000289116377 175721431 /nfs/dbraw/zinc/72/14/31/175721431.db2.gz FITOLEAAOXFFNE-QMMMGPOBSA-N 1 2 231.246 1.291 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000368410257 175843307 /nfs/dbraw/zinc/84/33/07/175843307.db2.gz JMOJCVGOWANEFN-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1ccc(NC(=O)c2ccn(C)n2)c(C)[nH+]1 ZINC000674840110 487632269 /nfs/dbraw/zinc/63/22/69/487632269.db2.gz LBKNEOPMRUYNRC-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccco1 ZINC000093420118 176012453 /nfs/dbraw/zinc/01/24/53/176012453.db2.gz KZMHJRXXJXJPMJ-UWVGGRQHSA-N 1 2 245.344 1.533 20 0 BDADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccco1 ZINC000093420118 176012454 /nfs/dbraw/zinc/01/24/54/176012454.db2.gz KZMHJRXXJXJPMJ-UWVGGRQHSA-N 1 2 245.344 1.533 20 0 BDADLO C[C@@H](c1ccccn1)[NH+]1CCN(C)CC1 ZINC000039105435 176027678 /nfs/dbraw/zinc/02/76/78/176027678.db2.gz XMVKXIAPCYQCTO-NSHDSACASA-N 1 2 205.305 1.390 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287011459 176036625 /nfs/dbraw/zinc/03/66/25/176036625.db2.gz RLQDNVPTMDJAAK-CMPLNLGQSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287011459 176036626 /nfs/dbraw/zinc/03/66/26/176036626.db2.gz RLQDNVPTMDJAAK-CMPLNLGQSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000280476880 176042753 /nfs/dbraw/zinc/04/27/53/176042753.db2.gz IVHHGLYNUYOQPJ-DTWKUNHWSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339165060 176148286 /nfs/dbraw/zinc/14/82/86/176148286.db2.gz PQDKRLXBMIVSNA-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccccn2)CC[S@]1=O ZINC000277103313 176176146 /nfs/dbraw/zinc/17/61/46/176176146.db2.gz GPNRMRCBAZRTBF-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccccn2)CC[S@]1=O ZINC000277103313 176176147 /nfs/dbraw/zinc/17/61/47/176176147.db2.gz GPNRMRCBAZRTBF-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000354023787 176178012 /nfs/dbraw/zinc/17/80/12/176178012.db2.gz GCJVHSJPQBORPV-MRVPVSSYSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000354023787 176178013 /nfs/dbraw/zinc/17/80/13/176178013.db2.gz GCJVHSJPQBORPV-MRVPVSSYSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000330973885 176201529 /nfs/dbraw/zinc/20/15/29/176201529.db2.gz UTVDSBMWYDQIQL-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000330973885 176201532 /nfs/dbraw/zinc/20/15/32/176201532.db2.gz UTVDSBMWYDQIQL-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(F)F)C1 ZINC000339141806 176206646 /nfs/dbraw/zinc/20/66/46/176206646.db2.gz LNMLDZZJIRPRSB-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CC[C@@H]([N@@H+](CCO)CC(F)F)C1 ZINC000339141806 176206648 /nfs/dbraw/zinc/20/66/48/176206648.db2.gz LNMLDZZJIRPRSB-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2csnn2)C1 ZINC000356351962 176228658 /nfs/dbraw/zinc/22/86/58/176228658.db2.gz ARGLQAARVHRUEL-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2csnn2)C1 ZINC000356351962 176228660 /nfs/dbraw/zinc/22/86/60/176228660.db2.gz ARGLQAARVHRUEL-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000288637153 176246089 /nfs/dbraw/zinc/24/60/89/176246089.db2.gz WRFHXBWNQOXZRU-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CN(C)CC[N@@H+]1Cc1cncs1 ZINC000334447077 176268015 /nfs/dbraw/zinc/26/80/15/176268015.db2.gz QAGBAVHZPJQRJK-SECBINFHSA-N 1 2 211.334 1.279 20 0 BDADLO C[C@@H]1CN(C)CC[N@H+]1Cc1cncs1 ZINC000334447077 176268016 /nfs/dbraw/zinc/26/80/16/176268016.db2.gz QAGBAVHZPJQRJK-SECBINFHSA-N 1 2 211.334 1.279 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC(=O)N1 ZINC000294720740 176305170 /nfs/dbraw/zinc/30/51/70/176305170.db2.gz CNDFQOIUZZTBEW-SECBINFHSA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC(=O)N1 ZINC000294720740 176305171 /nfs/dbraw/zinc/30/51/71/176305171.db2.gz CNDFQOIUZZTBEW-SECBINFHSA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2)CC[S@@](=O)C1 ZINC000277497714 176308689 /nfs/dbraw/zinc/30/86/89/176308689.db2.gz NSJGYKRRDREATD-BDJLRTHQSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2)CC[S@@](=O)C1 ZINC000277497714 176308691 /nfs/dbraw/zinc/30/86/91/176308691.db2.gz NSJGYKRRDREATD-BDJLRTHQSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)C[C@@]2(CCOC2)O1 ZINC000280487325 176309280 /nfs/dbraw/zinc/30/92/80/176309280.db2.gz LWIMBCMQCMHGAK-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)C[C@@]2(CCOC2)O1 ZINC000280487325 176309281 /nfs/dbraw/zinc/30/92/81/176309281.db2.gz LWIMBCMQCMHGAK-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(=O)[nH][nH]2)[C@H]1c1ccccc1 ZINC000271624286 176312175 /nfs/dbraw/zinc/31/21/75/176312175.db2.gz NJQIDJPICVJCQA-BXKDBHETSA-N 1 2 244.298 1.291 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(=O)[nH][nH]2)[C@H]1c1ccccc1 ZINC000271624286 176312176 /nfs/dbraw/zinc/31/21/76/176312176.db2.gz NJQIDJPICVJCQA-BXKDBHETSA-N 1 2 244.298 1.291 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnnn2C)[C@H]1c1ccccc1 ZINC000365782070 176313408 /nfs/dbraw/zinc/31/34/08/176313408.db2.gz ANEPADYBRKYXQX-ZWNOBZJWSA-N 1 2 243.314 1.403 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)[C@H]1c1ccccc1 ZINC000365782070 176313409 /nfs/dbraw/zinc/31/34/09/176313409.db2.gz ANEPADYBRKYXQX-ZWNOBZJWSA-N 1 2 243.314 1.403 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330991918 176318289 /nfs/dbraw/zinc/31/82/89/176318289.db2.gz SONWRYRZHGIAQJ-FOGDFJRCSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330991918 176318291 /nfs/dbraw/zinc/31/82/91/176318291.db2.gz SONWRYRZHGIAQJ-FOGDFJRCSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@@H]1CSCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000277038235 176349063 /nfs/dbraw/zinc/34/90/63/176349063.db2.gz KCFNTMOMFVTJBZ-JTQLQIEISA-N 1 2 239.344 1.095 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1nccn1C ZINC000172591224 176351219 /nfs/dbraw/zinc/35/12/19/176351219.db2.gz PPCCWRHRIMXDJO-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1nccn1C ZINC000172591224 176351221 /nfs/dbraw/zinc/35/12/21/176351221.db2.gz PPCCWRHRIMXDJO-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)CO1 ZINC000333909189 176359798 /nfs/dbraw/zinc/35/97/98/176359798.db2.gz WIVCSZBKBGLZIV-NXEZZACHSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300416644 176379032 /nfs/dbraw/zinc/37/90/32/176379032.db2.gz GNRQLLLQVPQTBK-MXWKQRLJSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)NCC2CCC2)c2[nH+]ccn21 ZINC000333810622 176418856 /nfs/dbraw/zinc/41/88/56/176418856.db2.gz HXPSVQDSACFDOP-KOLCDFICSA-N 1 2 248.330 1.988 20 0 BDADLO C[C@H]([NH2+]Cc1nnc2ccccn21)c1cn[nH]c1 ZINC000310654143 176885377 /nfs/dbraw/zinc/88/53/77/176885377.db2.gz HIMWIIAXUVVXGE-VIFPVBQESA-N 1 2 242.286 1.303 20 0 BDADLO C[C@@H](SCc1c[nH+]cn1C)[C@H](C)O ZINC000227770717 177005609 /nfs/dbraw/zinc/00/56/09/177005609.db2.gz JFJFQWCQBWSNQA-JGVFFNPUSA-N 1 2 200.307 1.423 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NC1CC1 ZINC000127884830 177044871 /nfs/dbraw/zinc/04/48/71/177044871.db2.gz BQKMTHPSPOZSCG-SNVBAGLBSA-N 1 2 233.315 1.353 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127884830 177044872 /nfs/dbraw/zinc/04/48/72/177044872.db2.gz BQKMTHPSPOZSCG-SNVBAGLBSA-N 1 2 233.315 1.353 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cnnn1C ZINC000273454465 177050530 /nfs/dbraw/zinc/05/05/30/177050530.db2.gz ZRYKGSWNZJQFKC-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cnnn1C ZINC000273454465 177050532 /nfs/dbraw/zinc/05/05/32/177050532.db2.gz ZRYKGSWNZJQFKC-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1[nH+]ccn1C ZINC000280478185 177056859 /nfs/dbraw/zinc/05/68/59/177056859.db2.gz IYAYFIGKHFAZFR-ZJUUUORDSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H]1CCCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000331640557 177071387 /nfs/dbraw/zinc/07/13/87/177071387.db2.gz MZSJMIJBCUKQJS-QMMMGPOBSA-N 1 2 210.281 1.132 20 0 BDADLO C[C@H]1CCCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000331640557 177071389 /nfs/dbraw/zinc/07/13/89/177071389.db2.gz MZSJMIJBCUKQJS-QMMMGPOBSA-N 1 2 210.281 1.132 20 0 BDADLO C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000104095277 177077756 /nfs/dbraw/zinc/07/77/56/177077756.db2.gz WTGCHNIBVUIAAA-JTQLQIEISA-N 1 2 246.314 1.397 20 0 BDADLO C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000104095277 177077761 /nfs/dbraw/zinc/07/77/61/177077761.db2.gz WTGCHNIBVUIAAA-JTQLQIEISA-N 1 2 246.314 1.397 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCC[C@@H]2C)nc[nH+]1 ZINC000264318638 177112120 /nfs/dbraw/zinc/11/21/20/177112120.db2.gz JIJYXHFTPLFKHL-VHSXEESVSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCC[C@@H]2C)[nH+]cn1 ZINC000264318638 177112121 /nfs/dbraw/zinc/11/21/21/177112121.db2.gz JIJYXHFTPLFKHL-VHSXEESVSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000072558623 177131471 /nfs/dbraw/zinc/13/14/71/177131471.db2.gz HHVFRWKYCXOBDG-QWRGUYRKSA-N 1 2 221.304 1.673 20 0 BDADLO C[C@H]1CCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000071208431 177142595 /nfs/dbraw/zinc/14/25/95/177142595.db2.gz VHQQGLPRKOIETH-WCBMZHEXSA-N 1 2 231.303 1.964 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC000288637158 177146860 /nfs/dbraw/zinc/14/68/60/177146860.db2.gz WRFHXBWNQOXZRU-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000276612235 177146928 /nfs/dbraw/zinc/14/69/28/177146928.db2.gz STNZEAJPHKEZGE-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339167249 177189283 /nfs/dbraw/zinc/18/92/83/177189283.db2.gz CIGCJEKVAWZIJB-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[S@@]1=O ZINC000334790329 177245098 /nfs/dbraw/zinc/24/50/98/177245098.db2.gz MPLJNRUBIPAKRD-AYVTZFPOSA-N 1 2 237.315 1.485 20 0 BDADLO C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[S@@]1=O ZINC000334790329 177245099 /nfs/dbraw/zinc/24/50/99/177245099.db2.gz MPLJNRUBIPAKRD-AYVTZFPOSA-N 1 2 237.315 1.485 20 0 BDADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCC1(F)F ZINC000291410734 177219297 /nfs/dbraw/zinc/21/92/97/177219297.db2.gz HSRBWDHNUYNSHC-VIFPVBQESA-N 1 2 243.257 1.387 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)C[C@@H](C2CC2)O1 ZINC000280545111 177261475 /nfs/dbraw/zinc/26/14/75/177261475.db2.gz JOPNUAKWTOFVCN-CABZTGNLSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@H](C2CC2)O1 ZINC000280545111 177261476 /nfs/dbraw/zinc/26/14/76/177261476.db2.gz JOPNUAKWTOFVCN-CABZTGNLSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CCC1=O ZINC000275282773 177261802 /nfs/dbraw/zinc/26/18/02/177261802.db2.gz WLMRZSGJFVHIIY-JTQLQIEISA-N 1 2 246.310 1.196 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CCC1=O ZINC000275282773 177261804 /nfs/dbraw/zinc/26/18/04/177261804.db2.gz WLMRZSGJFVHIIY-JTQLQIEISA-N 1 2 246.310 1.196 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3occc3c2)CC(=O)N1 ZINC000295104296 177263213 /nfs/dbraw/zinc/26/32/13/177263213.db2.gz VIKQCQOFBGWUQX-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CC(=O)N1 ZINC000295104296 177263215 /nfs/dbraw/zinc/26/32/15/177263215.db2.gz VIKQCQOFBGWUQX-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccs2)CC(=O)N1C ZINC000282013306 177267664 /nfs/dbraw/zinc/26/76/64/177267664.db2.gz DPSILYRUSFNXFJ-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccs2)CC(=O)N1C ZINC000282013306 177267666 /nfs/dbraw/zinc/26/76/66/177267666.db2.gz DPSILYRUSFNXFJ-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncnc2)C[C@@H](C2CC2)O1 ZINC000280674554 177269155 /nfs/dbraw/zinc/26/91/55/177269155.db2.gz UKUGTTNZDQEKKK-GWCFXTLKSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncnc2)C[C@@H](C2CC2)O1 ZINC000280674554 177269156 /nfs/dbraw/zinc/26/91/56/177269156.db2.gz UKUGTTNZDQEKKK-GWCFXTLKSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)C[C@H](C)O1 ZINC000156559982 177269512 /nfs/dbraw/zinc/26/95/12/177269512.db2.gz YSQHPUONGSBMEM-PHIMTYICSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3cnccn23)C[C@H](C)O1 ZINC000156559982 177269513 /nfs/dbraw/zinc/26/95/13/177269513.db2.gz YSQHPUONGSBMEM-PHIMTYICSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncc(Cl)n1C ZINC000293196639 177271292 /nfs/dbraw/zinc/27/12/92/177271292.db2.gz XLLWFXCDLGFGJJ-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncc(Cl)n1C ZINC000293196639 177271295 /nfs/dbraw/zinc/27/12/95/177271295.db2.gz XLLWFXCDLGFGJJ-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@H]1C[N@H+](Cc2noc(C(C)(C)C)n2)C[C@@H]1O ZINC000351808598 177272120 /nfs/dbraw/zinc/27/21/20/177272120.db2.gz JRUYUGATZQDGKZ-IUCAKERBSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1C[N@@H+](Cc2noc(C(C)(C)C)n2)C[C@@H]1O ZINC000351808598 177272122 /nfs/dbraw/zinc/27/21/22/177272122.db2.gz JRUYUGATZQDGKZ-IUCAKERBSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCOCC(F)(F)F ZINC000336648172 177291878 /nfs/dbraw/zinc/29/18/78/177291878.db2.gz NPYLDACUIDQLQG-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@H]1COCC[N@H+]1CCOCC(F)(F)F ZINC000336648172 177291879 /nfs/dbraw/zinc/29/18/79/177291879.db2.gz NPYLDACUIDQLQG-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000073172274 177311102 /nfs/dbraw/zinc/31/11/02/177311102.db2.gz PYANPBVSPVLTCX-PHIMTYICSA-N 1 2 221.304 1.388 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nccn1C(F)F ZINC000292475776 177335705 /nfs/dbraw/zinc/33/57/05/177335705.db2.gz RRSWWERHEJMYPF-IUCAKERBSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nccn1C(F)F ZINC000292475776 177335707 /nfs/dbraw/zinc/33/57/07/177335707.db2.gz RRSWWERHEJMYPF-IUCAKERBSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H]1C[C@H](C[N@H+](CCO)CC(F)F)CCO1 ZINC000355488495 177362002 /nfs/dbraw/zinc/36/20/02/177362002.db2.gz UVPMLQMTJVNEKL-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H]1C[C@H](C[N@@H+](CCO)CC(F)F)CCO1 ZINC000355488495 177362003 /nfs/dbraw/zinc/36/20/03/177362003.db2.gz UVPMLQMTJVNEKL-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000336410756 177374111 /nfs/dbraw/zinc/37/41/11/177374111.db2.gz KOBPIIARMPHBLC-BQBZGAKWSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ncc(Cl)s1 ZINC000336410756 177374113 /nfs/dbraw/zinc/37/41/13/177374113.db2.gz KOBPIIARMPHBLC-BQBZGAKWSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1nnnn1C ZINC000357775859 177390010 /nfs/dbraw/zinc/39/00/10/177390010.db2.gz RINFUSVHGBRAHT-JTQLQIEISA-N 1 2 243.314 1.157 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1nnnn1C ZINC000357775859 177390011 /nfs/dbraw/zinc/39/00/11/177390011.db2.gz RINFUSVHGBRAHT-JTQLQIEISA-N 1 2 243.314 1.157 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335512306 487641799 /nfs/dbraw/zinc/64/17/99/487641799.db2.gz SFMORQTYWKSESP-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335512306 487641803 /nfs/dbraw/zinc/64/18/03/487641803.db2.gz SFMORQTYWKSESP-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO O=C(NCC1CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666290244 487643516 /nfs/dbraw/zinc/64/35/16/487643516.db2.gz CNRFDZLSOUHMRN-JTQLQIEISA-N 1 2 233.315 1.431 20 0 BDADLO O=C(NCC1CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666290244 487643521 /nfs/dbraw/zinc/64/35/21/487643521.db2.gz CNRFDZLSOUHMRN-JTQLQIEISA-N 1 2 233.315 1.431 20 0 BDADLO OC[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678788903 487643726 /nfs/dbraw/zinc/64/37/26/487643726.db2.gz QJZLYTUUHPHPMM-VIFPVBQESA-N 1 2 210.252 1.429 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668321337 487647128 /nfs/dbraw/zinc/64/71/28/487647128.db2.gz RAMUBSBURNWAMZ-IRCOFANPSA-N 1 2 247.342 1.828 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CCO)CC1 ZINC000492812646 226058440 /nfs/dbraw/zinc/05/84/40/226058440.db2.gz NGPOTGRRQHPHRN-OWOJBTEDSA-N 1 2 249.314 1.044 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(F)cc1 ZINC000492856885 226069277 /nfs/dbraw/zinc/06/92/77/226069277.db2.gz CPGMSZUIYQQSHX-WAYWQWQTSA-N 1 2 245.257 1.878 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOC(F)(F)F ZINC000492900966 226077895 /nfs/dbraw/zinc/07/78/95/226077895.db2.gz OHFUVDLRHGAEQR-UPHRSURJSA-N 1 2 249.192 1.076 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC2(C1)CCCC2 ZINC000492898411 226078779 /nfs/dbraw/zinc/07/87/79/226078779.db2.gz KWZUOUICQGAKID-ONEGZZNKSA-N 1 2 231.299 1.826 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOCC1CCC1 ZINC000492899015 226078820 /nfs/dbraw/zinc/07/88/20/226078820.db2.gz LTSCAQZTIKNBTQ-SNAWJCMRSA-N 1 2 249.314 1.356 20 0 BDADLO Cc1ncccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903669 226079349 /nfs/dbraw/zinc/07/93/49/226079349.db2.gz UOYIBPHCIRSLKM-SNAWJCMRSA-N 1 2 228.255 1.765 20 0 BDADLO CC[C@H](SC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000557046967 322933638 /nfs/dbraw/zinc/93/36/38/322933638.db2.gz BSTRRCPCOXCFAG-SFYZADRCSA-N 1 2 227.333 1.729 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCS1 ZINC000493041440 226109966 /nfs/dbraw/zinc/10/99/66/226109966.db2.gz YPJBZQOJBXILAN-FSIBCCDJSA-N 1 2 237.328 1.435 20 0 BDADLO Cc1cc(NC(=O)C=Cc2ccn(C)c2)cc[nH+]1 ZINC000493097922 226126295 /nfs/dbraw/zinc/12/62/95/226126295.db2.gz YNJMWHXBSYHAND-ARJAWSKDSA-N 1 2 241.294 1.802 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493102454 226126993 /nfs/dbraw/zinc/12/69/93/226126993.db2.gz FGKMGKBFVBJCBQ-WAYWQWQTSA-N 1 2 207.277 1.680 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(CCO)CCC1 ZINC000493104653 226127337 /nfs/dbraw/zinc/12/73/37/226127337.db2.gz JVIPKWYTVNRNIJ-NSCUHMNNSA-N 1 2 249.314 1.092 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000493263907 226169778 /nfs/dbraw/zinc/16/97/78/226169778.db2.gz VRMYXQHLBQBYAJ-XGWLSQNPSA-N 1 2 217.272 1.338 20 0 BDADLO Cc1ccncc1/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000493274181 226172593 /nfs/dbraw/zinc/17/25/93/226172593.db2.gz RSOHEYWCNJKRAI-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)c1cnn(C)c1 ZINC000493356231 226193867 /nfs/dbraw/zinc/19/38/67/226193867.db2.gz QWTLFPKGTYJHHX-NWALNABHSA-N 1 2 245.286 1.034 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H](F)C1 ZINC000493419615 226210759 /nfs/dbraw/zinc/21/07/59/226210759.db2.gz MPVVVOXRAPCHQT-NWALNABHSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]1C(F)F ZINC000493471546 226226576 /nfs/dbraw/zinc/22/65/76/226226576.db2.gz ZGLWBLOLDLINJY-HIQWKFPQSA-N 1 2 227.214 1.193 20 0 BDADLO COC(C)(C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493667851 226248581 /nfs/dbraw/zinc/24/85/81/226248581.db2.gz XWYQWJIDZGRLIK-WAYWQWQTSA-N 1 2 237.303 1.306 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC/C=C\Cl ZINC000493672529 226248757 /nfs/dbraw/zinc/24/87/57/226248757.db2.gz HNDHOZCVXYTXLU-NAOWAUKJSA-N 1 2 227.651 1.223 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000493680509 226248926 /nfs/dbraw/zinc/24/89/26/226248926.db2.gz BHSDMTUUXIUIPM-ORAHPGNNSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccccn1 ZINC000493699680 226250101 /nfs/dbraw/zinc/25/01/01/226250101.db2.gz WJUBFABVKCRCEO-SNAWJCMRSA-N 1 2 214.228 1.457 20 0 BDADLO CN(C(=O)/C=C\c1[nH]cc[nH+]1)C(C)(C)C ZINC000493754808 226252620 /nfs/dbraw/zinc/25/26/20/226252620.db2.gz LCDHBEFAQZZQKQ-WAYWQWQTSA-N 1 2 207.277 1.680 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000493844187 226256850 /nfs/dbraw/zinc/25/68/50/226256850.db2.gz LRDZQRNGWPAUCQ-IQAMVVKDSA-N 1 2 247.298 1.060 20 0 BDADLO CO[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C(C)C ZINC000493847654 226257039 /nfs/dbraw/zinc/25/70/39/226257039.db2.gz PKLJUXKANDVJJR-UMCURTJPSA-N 1 2 237.303 1.210 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(CF)CC1 ZINC000493853263 226257584 /nfs/dbraw/zinc/25/75/84/226257584.db2.gz INLYYGHLKZWUPH-OWOJBTEDSA-N 1 2 237.278 1.631 20 0 BDADLO C[C@@H](CO)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000495038037 226274821 /nfs/dbraw/zinc/27/48/21/226274821.db2.gz NBPRCQKMPQXYBU-GXSJLCMTSA-N 1 2 238.335 1.397 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496686850 226311594 /nfs/dbraw/zinc/31/15/94/226311594.db2.gz WIVVREYJBFZMRM-QWRGUYRKSA-N 1 2 249.314 1.315 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496686850 226311595 /nfs/dbraw/zinc/31/15/95/226311595.db2.gz WIVVREYJBFZMRM-QWRGUYRKSA-N 1 2 249.314 1.315 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496686849 226311727 /nfs/dbraw/zinc/31/17/27/226311727.db2.gz WIVVREYJBFZMRM-MNOVXSKESA-N 1 2 249.314 1.315 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1C[C@@H]1CN(C)C(=O)O1 ZINC000496686849 226311728 /nfs/dbraw/zinc/31/17/28/226311728.db2.gz WIVVREYJBFZMRM-MNOVXSKESA-N 1 2 249.314 1.315 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496686851 226311839 /nfs/dbraw/zinc/31/18/39/226311839.db2.gz WIVVREYJBFZMRM-WDEREUQCSA-N 1 2 249.314 1.315 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496686851 226311840 /nfs/dbraw/zinc/31/18/40/226311840.db2.gz WIVVREYJBFZMRM-WDEREUQCSA-N 1 2 249.314 1.315 20 0 BDADLO Cn1c[nH+]cc1CN1C(=O)O[C@@](C)(C2CC2)C1=O ZINC000496081676 226296133 /nfs/dbraw/zinc/29/61/33/226296133.db2.gz LRXAKEDYBOHABE-LBPRGKRZSA-N 1 2 249.270 1.068 20 0 BDADLO Cn1c[nH+]cc1CN1C(=O)O[C@](C)(C2CC2)C1=O ZINC000496081675 226296244 /nfs/dbraw/zinc/29/62/44/226296244.db2.gz LRXAKEDYBOHABE-GFCCVEGCSA-N 1 2 249.270 1.068 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@]2(CO)CCOC2)s1 ZINC000680865493 487660690 /nfs/dbraw/zinc/66/06/90/487660690.db2.gz PPSLENISQQQNNZ-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@]2(CO)CCOC2)s1 ZINC000680865493 487660694 /nfs/dbraw/zinc/66/06/94/487660694.db2.gz PPSLENISQQQNNZ-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665106300 487666220 /nfs/dbraw/zinc/66/62/20/487666220.db2.gz LBGAQZHFUFEJST-YNEHKIRRSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccn(C)n1 ZINC000655777007 487670985 /nfs/dbraw/zinc/67/09/85/487670985.db2.gz PBJGLOYPFWVRFA-ZYHUDNBSSA-N 1 2 245.330 1.802 20 0 BDADLO CO[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000493554434 229214420 /nfs/dbraw/zinc/21/44/20/229214420.db2.gz QJGUSJSAHHXJDT-WYGGZMRJSA-N 1 2 237.303 1.210 20 0 BDADLO CO[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000308379340 229230979 /nfs/dbraw/zinc/23/09/79/229230979.db2.gz VJCKKVFWTJYERI-QWRGUYRKSA-N 1 2 221.304 1.457 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000667640569 487688021 /nfs/dbraw/zinc/68/80/21/487688021.db2.gz XRIWIZRFSFIVMQ-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000667640569 487688025 /nfs/dbraw/zinc/68/80/25/487688025.db2.gz XRIWIZRFSFIVMQ-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000669696556 487689917 /nfs/dbraw/zinc/68/99/17/487689917.db2.gz VWLSHZHSHGJZSY-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](CO)C[N@H+]1CCCC[C@H]1C(F)F ZINC000669696556 487689919 /nfs/dbraw/zinc/68/99/19/487689919.db2.gz VWLSHZHSHGJZSY-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CCOCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671710705 487702143 /nfs/dbraw/zinc/70/21/43/487702143.db2.gz LBRBIMFOEPDPJV-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671710705 487702148 /nfs/dbraw/zinc/70/21/48/487702148.db2.gz LBRBIMFOEPDPJV-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1c[nH+]c[nH]1 ZINC000671711682 487702704 /nfs/dbraw/zinc/70/27/04/487702704.db2.gz IHMALFCSLQSTCG-VXNVDRBHSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1c[nH]c[nH+]1 ZINC000671711682 487702710 /nfs/dbraw/zinc/70/27/10/487702710.db2.gz IHMALFCSLQSTCG-VXNVDRBHSA-N 1 2 249.236 1.561 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)C(C)(C)O)cc[nH+]1 ZINC000678095350 487704077 /nfs/dbraw/zinc/70/40/77/487704077.db2.gz GDDACKKAYNHWDA-VIFPVBQESA-N 1 2 237.303 1.093 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1CO ZINC000097855174 487704928 /nfs/dbraw/zinc/70/49/28/487704928.db2.gz RJTLKRPYLMCWJG-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCOC[C@H]1CO ZINC000097855174 487704931 /nfs/dbraw/zinc/70/49/31/487704931.db2.gz RJTLKRPYLMCWJG-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CC12CCC2)Cn1cc[nH+]c1 ZINC000675333112 487710587 /nfs/dbraw/zinc/71/05/87/487710587.db2.gz HKEJRXJQFTVJSW-VXGBXAGGSA-N 1 2 247.342 1.826 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1occ2c1CCC2 ZINC000671733250 487713343 /nfs/dbraw/zinc/71/33/43/487713343.db2.gz UPIKLQRKNZLERT-UHFFFAOYSA-N 1 2 231.255 1.421 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1occ2c1CCC2 ZINC000671733250 487713346 /nfs/dbraw/zinc/71/33/46/487713346.db2.gz UPIKLQRKNZLERT-UHFFFAOYSA-N 1 2 231.255 1.421 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCc1cn[nH]n1 ZINC000672760928 487713486 /nfs/dbraw/zinc/71/34/86/487713486.db2.gz JAYKOSHHQYUMTI-UHFFFAOYSA-N 1 2 246.274 1.138 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]cc1C)C1CCC1 ZINC000668419434 487720700 /nfs/dbraw/zinc/72/07/00/487720700.db2.gz CPJJZQNRQYORNM-GFCCVEGCSA-N 1 2 234.299 1.566 20 0 BDADLO CCCN(C)c1nc[nH+]c2c1OCCN2 ZINC000665695944 487733446 /nfs/dbraw/zinc/73/34/46/487733446.db2.gz FPGSSMLURMFIBB-UHFFFAOYSA-N 1 2 208.265 1.127 20 0 BDADLO CCCN(C)c1[nH+]cnc2c1OCCN2 ZINC000665695944 487733452 /nfs/dbraw/zinc/73/34/52/487733452.db2.gz FPGSSMLURMFIBB-UHFFFAOYSA-N 1 2 208.265 1.127 20 0 BDADLO CCC[C@@H]1C[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665704184 487734707 /nfs/dbraw/zinc/73/47/07/487734707.db2.gz FVSHLEFKQQVBBM-RKDXNWHRSA-N 1 2 234.303 1.881 20 0 BDADLO CCC[C@@H]1C[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665704184 487734711 /nfs/dbraw/zinc/73/47/11/487734711.db2.gz FVSHLEFKQQVBBM-RKDXNWHRSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000665709645 487737645 /nfs/dbraw/zinc/73/76/45/487737645.db2.gz RNPWOPISGZHUEU-ZJUUUORDSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C[C@@H]1C ZINC000665709645 487737652 /nfs/dbraw/zinc/73/76/52/487737652.db2.gz RNPWOPISGZHUEU-ZJUUUORDSA-N 1 2 248.330 1.763 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000667771263 487740737 /nfs/dbraw/zinc/74/07/37/487740737.db2.gz VMRPIZIAXBAFGG-QMMMGPOBSA-N 1 2 232.243 1.072 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753138 487749273 /nfs/dbraw/zinc/74/92/73/487749273.db2.gz MNLYQJPAVMALRR-WYOJIJJFSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753138 487749279 /nfs/dbraw/zinc/74/92/79/487749279.db2.gz MNLYQJPAVMALRR-WYOJIJJFSA-N 1 2 237.303 1.085 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC000681215096 487749518 /nfs/dbraw/zinc/74/95/18/487749518.db2.gz GVYNFACMIIXMCZ-SSDOTTSWSA-N 1 2 230.262 1.454 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC000681215096 487749519 /nfs/dbraw/zinc/74/95/19/487749519.db2.gz GVYNFACMIIXMCZ-SSDOTTSWSA-N 1 2 230.262 1.454 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)o1 ZINC000195020448 487762531 /nfs/dbraw/zinc/76/25/31/487762531.db2.gz XOSXXIYDOIWPIC-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@]23CCOC3)o1 ZINC000195020448 487762537 /nfs/dbraw/zinc/76/25/37/487762537.db2.gz XOSXXIYDOIWPIC-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000676794721 487764027 /nfs/dbraw/zinc/76/40/27/487764027.db2.gz VVVJPPPVJFVWNJ-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000676794721 487764030 /nfs/dbraw/zinc/76/40/30/487764030.db2.gz VVVJPPPVJFVWNJ-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000668448590 487770633 /nfs/dbraw/zinc/77/06/33/487770633.db2.gz RKKCSFHDLFIVJY-VHSXEESVSA-N 1 2 237.303 1.183 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000111246854 487772220 /nfs/dbraw/zinc/77/22/20/487772220.db2.gz CUFYOQZVFFMBSP-AAEUAGOBSA-N 1 2 243.347 1.877 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054714 585404512 /nfs/dbraw/zinc/40/45/12/585404512.db2.gz UEFSPFJKRFLYFL-NKWVEPMBSA-N 1 2 223.194 1.186 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054714 585404513 /nfs/dbraw/zinc/40/45/13/585404513.db2.gz UEFSPFJKRFLYFL-NKWVEPMBSA-N 1 2 223.194 1.186 20 0 BDADLO CSC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493367384 533690709 /nfs/dbraw/zinc/69/07/09/533690709.db2.gz KALUEHOQTSONAK-TUUFMJSCSA-N 1 2 225.317 1.291 20 0 BDADLO CC[C@@H](CO)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000295060395 487781665 /nfs/dbraw/zinc/78/16/65/487781665.db2.gz YYYJDIDVWUMQQU-JTQLQIEISA-N 1 2 221.304 1.561 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@H]1CC12CCC2 ZINC000681356329 487782428 /nfs/dbraw/zinc/78/24/28/487782428.db2.gz TZBNPJHKTSQRGX-SNVBAGLBSA-N 1 2 245.326 1.698 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(O)=CC(F)(F)F ZINC000681356027 487782669 /nfs/dbraw/zinc/78/26/69/487782669.db2.gz GSGBJIXAEOKPHW-UHFFFAOYSA-N 1 2 247.220 1.460 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000666352907 487792082 /nfs/dbraw/zinc/79/20/82/487792082.db2.gz IIVRGFWRWHZOHW-URLYPYJESA-N 1 2 219.288 1.045 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cn2)[C@H](C)C1 ZINC000676886067 487793605 /nfs/dbraw/zinc/79/36/05/487793605.db2.gz YZKJOZQYOVVGAX-SKDRFNHKSA-N 1 2 248.330 1.454 20 0 BDADLO CCC[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000047597563 487793686 /nfs/dbraw/zinc/79/36/86/487793686.db2.gz URGICTRVNZYASN-LLVKDONJSA-N 1 2 238.335 1.761 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000681407181 487795877 /nfs/dbraw/zinc/79/58/77/487795877.db2.gz NFZXTDJCHWGHNI-NSHDSACASA-N 1 2 235.331 1.725 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000681407181 487795880 /nfs/dbraw/zinc/79/58/80/487795880.db2.gz NFZXTDJCHWGHNI-NSHDSACASA-N 1 2 235.331 1.725 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000681407181 487795886 /nfs/dbraw/zinc/79/58/86/487795886.db2.gz NFZXTDJCHWGHNI-NSHDSACASA-N 1 2 235.331 1.725 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666405996 487800994 /nfs/dbraw/zinc/80/09/94/487800994.db2.gz OJBFQYWGZGEICO-LNFKQOIKSA-N 1 2 233.315 1.296 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)[C@H](C)O1 ZINC000668031949 487806607 /nfs/dbraw/zinc/80/66/07/487806607.db2.gz NNCUVJROSVSXEA-UTUOFQBUSA-N 1 2 249.358 1.827 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCF ZINC000666450375 487812915 /nfs/dbraw/zinc/81/29/15/487812915.db2.gz OVNWDDNAXGHORP-SECBINFHSA-N 1 2 213.256 1.138 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2COC(C)(C)C2)cc[nH+]1 ZINC000666492692 487820855 /nfs/dbraw/zinc/82/08/55/487820855.db2.gz SKGRIBLWTKWAPU-LLVKDONJSA-N 1 2 249.314 1.501 20 0 BDADLO C[C@H](NC(=O)Nc1ccon1)c1[nH+]ccn1C ZINC000666517934 487825120 /nfs/dbraw/zinc/82/51/20/487825120.db2.gz FJFHSEIHLHHXGN-ZETCQYMHSA-N 1 2 235.247 1.291 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1coc(C2CC2)n1 ZINC000681633406 487826239 /nfs/dbraw/zinc/82/62/39/487826239.db2.gz DZZMVVZSWDKINY-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CC1(F)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000684327649 487827213 /nfs/dbraw/zinc/82/72/13/487827213.db2.gz MGHHVWIYTYZKHI-UHFFFAOYSA-N 1 2 225.267 1.234 20 0 BDADLO CC(C)Oc1cccc(C[NH+]2CC(O)C2)c1 ZINC000297433526 974901855 /nfs/dbraw/zinc/90/18/55/974901855.db2.gz NMKQFXJMPVZZJJ-UHFFFAOYSA-N 1 2 221.300 1.650 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000674466870 487832740 /nfs/dbraw/zinc/83/27/40/487832740.db2.gz OWTYBXVOYNTUOB-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000674466870 487832749 /nfs/dbraw/zinc/83/27/49/487832749.db2.gz OWTYBXVOYNTUOB-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CC1(C)CC[N@H+](C/C=C\Cl)CC[S@@]1=O ZINC000832016172 587642521 /nfs/dbraw/zinc/64/25/21/587642521.db2.gz KWTZFCYWJDEGFE-MFBWXBCUSA-N 1 2 235.780 1.972 20 0 BDADLO CC1(C)CC[N@@H+](C/C=C\Cl)CC[S@@]1=O ZINC000832016172 587642524 /nfs/dbraw/zinc/64/25/24/587642524.db2.gz KWTZFCYWJDEGFE-MFBWXBCUSA-N 1 2 235.780 1.972 20 0 BDADLO CC(C)(CO)CNc1cc[nH+]c2ccncc12 ZINC000676353364 487842022 /nfs/dbraw/zinc/84/20/22/487842022.db2.gz YLESDHWGXZADKC-UHFFFAOYSA-N 1 2 231.299 1.482 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494241839 528901825 /nfs/dbraw/zinc/90/18/25/528901825.db2.gz OLTAQMFEHCRSNK-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494241839 528901834 /nfs/dbraw/zinc/90/18/34/528901834.db2.gz OLTAQMFEHCRSNK-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000668995964 487845342 /nfs/dbraw/zinc/84/53/42/487845342.db2.gz SBCVOXQTCWSFNX-MWLCHTKSSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000668995964 487845348 /nfs/dbraw/zinc/84/53/48/487845348.db2.gz SBCVOXQTCWSFNX-MWLCHTKSSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@](C)(C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000558671831 322953410 /nfs/dbraw/zinc/95/34/10/322953410.db2.gz YQZWRSALSRXKNP-AWEZNQCLSA-N 1 2 248.326 1.874 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1)C[C@@H](O)C(F)(F)F ZINC000681755808 487856140 /nfs/dbraw/zinc/85/61/40/487856140.db2.gz PBBKWDGUZWJGPW-MRVPVSSYSA-N 1 2 237.225 1.155 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1)C[C@@H](O)C(F)(F)F ZINC000681755808 487856147 /nfs/dbraw/zinc/85/61/47/487856147.db2.gz PBBKWDGUZWJGPW-MRVPVSSYSA-N 1 2 237.225 1.155 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)CC1CC(C)C1 ZINC000930653414 639846543 /nfs/dbraw/zinc/84/65/43/639846543.db2.gz XWFCAMABVQRXKL-HWOCKDDLSA-N 1 2 221.291 1.980 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1CC(C)C1 ZINC000930653414 639846547 /nfs/dbraw/zinc/84/65/47/639846547.db2.gz XWFCAMABVQRXKL-HWOCKDDLSA-N 1 2 221.291 1.980 20 0 BDADLO C[C@@H](C[N@@H+]1CCCS(=O)(=O)CC1)C(C)(C)C ZINC000670264286 487864548 /nfs/dbraw/zinc/86/45/48/487864548.db2.gz KWHUIIPYWLIYII-NSHDSACASA-N 1 2 247.404 1.789 20 0 BDADLO C[C@@H](C[N@H+]1CCCS(=O)(=O)CC1)C(C)(C)C ZINC000670264286 487864551 /nfs/dbraw/zinc/86/45/51/487864551.db2.gz KWHUIIPYWLIYII-NSHDSACASA-N 1 2 247.404 1.789 20 0 BDADLO CCOCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682033935 487885189 /nfs/dbraw/zinc/88/51/89/487885189.db2.gz WUYIGBGCRFKOSZ-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO CCOCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682033935 487885190 /nfs/dbraw/zinc/88/51/90/487885190.db2.gz WUYIGBGCRFKOSZ-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO COc1ccc(CN(C)c2cc[nH+]c(C)n2)cn1 ZINC000676638285 487885957 /nfs/dbraw/zinc/88/59/57/487885957.db2.gz HLWMDYHMRMNEGN-UHFFFAOYSA-N 1 2 244.298 1.825 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCOCC12CC2 ZINC000670273123 487895778 /nfs/dbraw/zinc/89/57/78/487895778.db2.gz CPEADCIBXPRWQB-UHFFFAOYSA-N 1 2 235.331 1.347 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCOCC12CC2 ZINC000670273123 487895783 /nfs/dbraw/zinc/89/57/83/487895783.db2.gz CPEADCIBXPRWQB-UHFFFAOYSA-N 1 2 235.331 1.347 20 0 BDADLO CCc1cnc(C[N@@H+]2CCCOC[C@H]2C)o1 ZINC000676715312 487904309 /nfs/dbraw/zinc/90/43/09/487904309.db2.gz ZZHUWDQZBRHALE-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCCOC[C@H]2C)o1 ZINC000676715312 487904313 /nfs/dbraw/zinc/90/43/13/487904313.db2.gz ZZHUWDQZBRHALE-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC[C@H]1CCOC1 ZINC000682164888 487921114 /nfs/dbraw/zinc/92/11/14/487921114.db2.gz BSORSZWFZITEHP-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC[C@H]1CCOC1 ZINC000682164888 487921123 /nfs/dbraw/zinc/92/11/23/487921123.db2.gz BSORSZWFZITEHP-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000667153802 487938634 /nfs/dbraw/zinc/93/86/34/487938634.db2.gz XAJGSNXOYJJBEP-YUSALJHKSA-N 1 2 247.342 1.686 20 0 BDADLO c1cn(Cc2nc(C[C@@H]3CCCO3)no2)c[nH+]1 ZINC000682375699 487943613 /nfs/dbraw/zinc/94/36/13/487943613.db2.gz LOEXIWHCDZPGSG-VIFPVBQESA-N 1 2 234.259 1.036 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667161098 487950996 /nfs/dbraw/zinc/95/09/96/487950996.db2.gz VKWGESUTTXCHTP-JTQLQIEISA-N 1 2 245.282 1.424 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667161098 487951001 /nfs/dbraw/zinc/95/10/01/487951001.db2.gz VKWGESUTTXCHTP-JTQLQIEISA-N 1 2 245.282 1.424 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000682423757 487956964 /nfs/dbraw/zinc/95/69/64/487956964.db2.gz GRLBWWKJDQUKCG-UMSGYPCISA-N 1 2 247.342 1.949 20 0 BDADLO Cc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cn1 ZINC000564653796 322963675 /nfs/dbraw/zinc/96/36/75/322963675.db2.gz JCGOFZXELFHAQN-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000569520481 322968682 /nfs/dbraw/zinc/96/86/82/322968682.db2.gz BAPPBTBUNMXDLK-JTQLQIEISA-N 1 2 223.320 1.466 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)Nc1nnc(C)c(C)n1 ZINC000560227132 322984109 /nfs/dbraw/zinc/98/41/09/322984109.db2.gz KREWEPXUPJNTOE-SNVBAGLBSA-N 1 2 246.318 1.878 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc2c(c1)OCO2 ZINC000398324374 323000480 /nfs/dbraw/zinc/00/04/80/323000480.db2.gz DRXOIQAHWLLJIV-QMMMGPOBSA-N 1 2 246.270 1.384 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1NC(=O)Cc1c[nH+]cn1C ZINC000561502974 323003032 /nfs/dbraw/zinc/00/30/32/323003032.db2.gz DOLNTQSQMMCYDN-GHMZBOCLSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H]1CCC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000562265204 323014148 /nfs/dbraw/zinc/01/41/48/323014148.db2.gz KICQZRDXJOFBBD-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)NC(C)C)CCO1 ZINC000132267698 323014757 /nfs/dbraw/zinc/01/47/57/323014757.db2.gz NGPIYCZAKDELQT-LLVKDONJSA-N 1 2 228.336 1.012 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)NC(C)C)CCO1 ZINC000132267698 323014758 /nfs/dbraw/zinc/01/47/58/323014758.db2.gz NGPIYCZAKDELQT-LLVKDONJSA-N 1 2 228.336 1.012 20 0 BDADLO Cn1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000562857767 323032373 /nfs/dbraw/zinc/03/23/73/323032373.db2.gz XLFVVNDNYCISGN-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000562857767 323032374 /nfs/dbraw/zinc/03/23/74/323032374.db2.gz XLFVVNDNYCISGN-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO c1cn(Cc2nc(-c3cncs3)no2)c[nH+]1 ZINC000562915301 323033392 /nfs/dbraw/zinc/03/33/92/323033392.db2.gz DSHMTCJZKGGTEP-UHFFFAOYSA-N 1 2 233.256 1.438 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC=CCC1 ZINC000569787201 323040484 /nfs/dbraw/zinc/04/04/84/323040484.db2.gz ZILOCQFXHPMHCI-ZDUSSCGKSA-N 1 2 233.315 1.578 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC000569878232 323043586 /nfs/dbraw/zinc/04/35/86/323043586.db2.gz IZYFNSRLXMQWPT-QWRGUYRKSA-N 1 2 235.331 1.467 20 0 BDADLO CN(C)c1nc(C[NH2+][C@@H]2CCC2(C)C)ns1 ZINC000569986469 323046569 /nfs/dbraw/zinc/04/65/69/323046569.db2.gz WXHZTHTWEGOXDS-MRVPVSSYSA-N 1 2 240.376 1.882 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000570049130 323048182 /nfs/dbraw/zinc/04/81/82/323048182.db2.gz BUNLCADHFUBBCC-MWLCHTKSSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cnc(CNc2cc[nH+]c(C3CC3)n2)nc1 ZINC000570411320 323058978 /nfs/dbraw/zinc/05/89/78/323058978.db2.gz VJPWAJLRPOUNCP-UHFFFAOYSA-N 1 2 241.298 1.486 20 0 BDADLO CC[C@@H](CCO)CNc1[nH+]cccc1OC ZINC000160252106 323064517 /nfs/dbraw/zinc/06/45/17/323064517.db2.gz ZWOIDJOTXJGJQL-JTQLQIEISA-N 1 2 224.304 1.911 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccon1 ZINC000570847890 323072435 /nfs/dbraw/zinc/07/24/35/323072435.db2.gz HYLWILDQGANVDP-VHSXEESVSA-N 1 2 248.286 1.700 20 0 BDADLO CCOCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570933077 323074741 /nfs/dbraw/zinc/07/47/41/323074741.db2.gz BSOKUUCXJHZSOT-UHFFFAOYSA-N 1 2 225.292 1.188 20 0 BDADLO CCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000531146686 323075290 /nfs/dbraw/zinc/07/52/90/323075290.db2.gz MGUWAMZIKDYTFA-UHFFFAOYSA-N 1 2 219.288 1.457 20 0 BDADLO CCCOCC(=O)NCCCCn1cc[nH+]c1 ZINC000222249868 323081233 /nfs/dbraw/zinc/08/12/33/323081233.db2.gz AZKBHYLRWKTZFH-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO Cc1cccnc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531409857 323088844 /nfs/dbraw/zinc/08/88/44/323088844.db2.gz CEYFDAYTZVQADR-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NCCOCCO ZINC000063106149 323099225 /nfs/dbraw/zinc/09/92/25/323099225.db2.gz RSOGBEQUFMEZBV-UHFFFAOYSA-N 1 2 246.310 1.964 20 0 BDADLO CC[C@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000570982553 323102749 /nfs/dbraw/zinc/10/27/49/323102749.db2.gz CBGZPYLWMXJHAJ-LLVKDONJSA-N 1 2 247.298 1.143 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccncc1 ZINC000571056844 323106102 /nfs/dbraw/zinc/10/61/02/323106102.db2.gz FCBKTXBQMZIHJE-VIFPVBQESA-N 1 2 230.271 1.044 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccncc1 ZINC000571056844 323106103 /nfs/dbraw/zinc/10/61/03/323106103.db2.gz FCBKTXBQMZIHJE-VIFPVBQESA-N 1 2 230.271 1.044 20 0 BDADLO Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nn1 ZINC000563285853 323108305 /nfs/dbraw/zinc/10/83/05/323108305.db2.gz YWCGTPRYXQMOPI-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO CC[C@@H](CO)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563285883 323108645 /nfs/dbraw/zinc/10/86/45/323108645.db2.gz ZYVFSRGBNVQNRT-MNOVXSKESA-N 1 2 239.319 1.064 20 0 BDADLO CCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000534323851 323116540 /nfs/dbraw/zinc/11/65/40/323116540.db2.gz GUFLMWXZCKXIOS-UHFFFAOYSA-N 1 2 207.277 1.652 20 0 BDADLO CC[C@@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534325694 323116779 /nfs/dbraw/zinc/11/67/79/323116779.db2.gz ZHBPUHXNJVDGMV-JTQLQIEISA-N 1 2 237.303 1.013 20 0 BDADLO CCc1cc(N)nc(SC2CC(OC)C2)[nH+]1 ZINC000563438341 323125661 /nfs/dbraw/zinc/12/56/61/323125661.db2.gz FSPDOVSPPIDIDU-UHFFFAOYSA-N 1 2 239.344 1.721 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1ccncc1 ZINC000563424966 323126105 /nfs/dbraw/zinc/12/61/05/323126105.db2.gz HQZGDRWLJZXMFN-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](O)C(C)(C)C1 ZINC000310095796 323127903 /nfs/dbraw/zinc/12/79/03/323127903.db2.gz HZHNDSZSNWTTDZ-LLVKDONJSA-N 1 2 236.315 1.687 20 0 BDADLO CCn1nncc1CNc1c[nH+]cc(C)c1 ZINC000563520473 323128839 /nfs/dbraw/zinc/12/88/39/323128839.db2.gz HNHAHKWEJOXBMM-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO Cc1ccn(C)c1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571171913 323137532 /nfs/dbraw/zinc/13/75/32/323137532.db2.gz DAPDXZFKHLBWCG-UHFFFAOYSA-N 1 2 246.314 1.722 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCn2nncc2C1 ZINC000571417169 323144212 /nfs/dbraw/zinc/14/42/12/323144212.db2.gz JPDPGKNHAGSNKJ-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO COC(C)(C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571527543 323147104 /nfs/dbraw/zinc/14/71/04/323147104.db2.gz YQYCPHAAPUYOHS-JTQLQIEISA-N 1 2 239.319 1.375 20 0 BDADLO CC[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H](C)[S@]1=O ZINC000571567453 323148763 /nfs/dbraw/zinc/14/87/63/323148763.db2.gz LKWMNMZMYLNOGU-IQMDTDKHSA-N 1 2 233.352 1.720 20 0 BDADLO CC[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@H](C)[S@]1=O ZINC000571567453 323148764 /nfs/dbraw/zinc/14/87/64/323148764.db2.gz LKWMNMZMYLNOGU-IQMDTDKHSA-N 1 2 233.352 1.720 20 0 BDADLO CC(C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000571591405 323149011 /nfs/dbraw/zinc/14/90/11/323149011.db2.gz FSHUPRPSRLBVCG-LBPRGKRZSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cscn1 ZINC000161150566 323149155 /nfs/dbraw/zinc/14/91/55/323149155.db2.gz DMOYRIUYKYHMPS-MRVPVSSYSA-N 1 2 241.360 1.708 20 0 BDADLO C[NH2+]Cc1noc([C@@H](c2cccnc2)C(C)C)n1 ZINC000414638621 323150953 /nfs/dbraw/zinc/15/09/53/323150953.db2.gz FFZZNKQYYICXHH-GFCCVEGCSA-N 1 2 246.314 1.972 20 0 BDADLO COc1nccc(CNc2c[nH+]cc(C)c2)n1 ZINC000395137152 323188785 /nfs/dbraw/zinc/18/87/85/323188785.db2.gz VZRNPWWGEGIIAF-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CCc1ncc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000114338446 323193474 /nfs/dbraw/zinc/19/34/74/323193474.db2.gz RSXQHDZQCRDNGU-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO Cc1cnc(NCCc2ccc(C)[nH+]c2)nc1 ZINC000536085704 323195792 /nfs/dbraw/zinc/19/57/92/323195792.db2.gz QSKUKWLUTIZYDK-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO Cn1ccc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000536548808 323196962 /nfs/dbraw/zinc/19/69/62/323196962.db2.gz GVDUJNYFKBUWPX-UHFFFAOYSA-N 1 2 229.287 1.122 20 0 BDADLO Cc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)o1 ZINC000536636282 323198994 /nfs/dbraw/zinc/19/89/94/323198994.db2.gz WGOVWMLXKJPJKV-UHFFFAOYSA-N 1 2 248.326 1.642 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc[nH+]c(C(C)C)n2)o1 ZINC000532882706 323311900 /nfs/dbraw/zinc/31/19/00/323311900.db2.gz SNVDIMVNYBMFPN-MRVPVSSYSA-N 1 2 247.302 1.886 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[NH+]1[C@H](C)C[C@H]1C ZINC000547770352 323344761 /nfs/dbraw/zinc/34/47/61/323344761.db2.gz NYYQKZMMWLDRPU-IWSPIJDZSA-N 1 2 239.344 1.953 20 0 BDADLO COc1cccc(OC)c1C[NH2+]Cc1cc[nH]n1 ZINC000533124101 323850411 /nfs/dbraw/zinc/85/04/11/323850411.db2.gz LSUOOUMXLUIFMJ-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1C)c1[nH+]ccn1C ZINC000667248896 487961630 /nfs/dbraw/zinc/96/16/30/487961630.db2.gz IHIYQRAESRTIJX-UTLUCORTSA-N 1 2 236.319 1.531 20 0 BDADLO O=C(C[C@@H]1C=CCC1)NCCc1[nH]cc[nH+]1 ZINC000123086691 324080980 /nfs/dbraw/zinc/08/09/80/324080980.db2.gz UGNDDPYCIPCTPR-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO C[C@@H]1[C@H](C(=O)NCCc2c[nH+]cn2C)[C@H]1C1CC1 ZINC000529006246 324230803 /nfs/dbraw/zinc/23/08/03/324230803.db2.gz BXXNIRCVKBYNSL-BIMULSAOSA-N 1 2 247.342 1.371 20 0 BDADLO C[C@H](NC(=O)N(C)C1CC1)c1[nH+]ccn1C ZINC000667255578 487962682 /nfs/dbraw/zinc/96/26/82/487962682.db2.gz SLWKHWXWSMGLNI-QMMMGPOBSA-N 1 2 222.292 1.285 20 0 BDADLO Cc1scnc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000529543113 324333369 /nfs/dbraw/zinc/33/33/69/324333369.db2.gz JWNRHDIGUSUOSE-MRVPVSSYSA-N 1 2 239.344 1.730 20 0 BDADLO Cc1scnc1NC(=O)Cc1c[nH+]cn1C ZINC000529547030 324336134 /nfs/dbraw/zinc/33/61/34/324336134.db2.gz WUGMDXZJKHGMPH-UHFFFAOYSA-N 1 2 236.300 1.366 20 0 BDADLO Fc1ccc(CNCC[N@@H+]2CC=CCC2)nc1 ZINC000529556508 324340568 /nfs/dbraw/zinc/34/05/68/324340568.db2.gz JJTSOHINVZVODR-UHFFFAOYSA-N 1 2 235.306 1.572 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@H]2CCCOC2)c[nH+]1 ZINC000529600903 324359798 /nfs/dbraw/zinc/35/97/98/324359798.db2.gz MYPQGFQBAZVCTO-SNVBAGLBSA-N 1 2 237.303 1.265 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccc(F)cn2)n1 ZINC000529611465 324365023 /nfs/dbraw/zinc/36/50/23/324365023.db2.gz LSIPJJVMHFPXOD-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO c1coc(CC2C[NH+](Cc3cc[nH]n3)C2)c1 ZINC000529648449 324371703 /nfs/dbraw/zinc/37/17/03/324371703.db2.gz DZNVHNRDLUAQQF-UHFFFAOYSA-N 1 2 217.272 1.677 20 0 BDADLO C[C@H](CC(=O)NCC1CC=CC1)n1cc[nH+]c1 ZINC000529707239 324378921 /nfs/dbraw/zinc/37/89/21/324378921.db2.gz QLNLPEMUYKWQCL-LLVKDONJSA-N 1 2 233.315 1.917 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1CC=CC1 ZINC000529708968 324382452 /nfs/dbraw/zinc/38/24/52/324382452.db2.gz MUCAOQUWAADCDD-UHFFFAOYSA-N 1 2 233.315 1.435 20 0 BDADLO OCC1CN(c2[nH+]ccc3ccccc32)C1 ZINC000123794656 324601820 /nfs/dbraw/zinc/60/18/20/324601820.db2.gz USZZXXSMNHTVFR-UHFFFAOYSA-N 1 2 214.268 1.663 20 0 BDADLO C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000068824650 324902740 /nfs/dbraw/zinc/90/27/40/324902740.db2.gz AJQHASYXXAHKCU-SNVBAGLBSA-N 1 2 245.330 1.990 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000128981432 324903042 /nfs/dbraw/zinc/90/30/42/324903042.db2.gz ZIJXJSZTYGDCQR-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@@H+]1CCOCC2(CC2)C1 ZINC000542058096 325006631 /nfs/dbraw/zinc/00/66/31/325006631.db2.gz CWJPDTRYAFADFY-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@H+]1CCOCC2(CC2)C1 ZINC000542058096 325006634 /nfs/dbraw/zinc/00/66/34/325006634.db2.gz CWJPDTRYAFADFY-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cc1C ZINC000070991427 325048794 /nfs/dbraw/zinc/04/87/94/325048794.db2.gz HJNBWDRYWAWWPG-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1ccno1 ZINC000542810411 325050804 /nfs/dbraw/zinc/05/08/04/325050804.db2.gz LYJKBEYILZHXFA-UHFFFAOYSA-N 1 2 225.292 1.152 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1ccno1 ZINC000542810411 325050807 /nfs/dbraw/zinc/05/08/07/325050807.db2.gz LYJKBEYILZHXFA-UHFFFAOYSA-N 1 2 225.292 1.152 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)Nc1ccccc1 ZINC000544412561 325142330 /nfs/dbraw/zinc/14/23/30/325142330.db2.gz YYRSZPITIYKASA-UHFFFAOYSA-N 1 2 244.298 1.784 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C[C@@H]2C=CCC2)n1 ZINC000545137202 325180175 /nfs/dbraw/zinc/18/01/75/325180175.db2.gz BNCCKLOVYZQELO-SNVBAGLBSA-N 1 2 244.298 1.903 20 0 BDADLO COc1ccc[nH+]c1NCC1(O)CCOCC1 ZINC000132454502 325217554 /nfs/dbraw/zinc/21/75/54/325217554.db2.gz HLSRRYPBQSHFQM-UHFFFAOYSA-N 1 2 238.287 1.044 20 0 BDADLO CCOC(=O)CCC[NH+]1CC(C(F)(F)F)C1 ZINC000564293977 325235305 /nfs/dbraw/zinc/23/53/05/325235305.db2.gz SYOOTKWHVSVCNJ-UHFFFAOYSA-N 1 2 239.237 1.824 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC000545934057 325248317 /nfs/dbraw/zinc/24/83/17/325248317.db2.gz KTGKDXSELQPKAB-FVMDXXJSSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC000545934057 325248320 /nfs/dbraw/zinc/24/83/20/325248320.db2.gz KTGKDXSELQPKAB-FVMDXXJSSA-N 1 2 244.360 1.436 20 0 BDADLO c1csc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000546022171 325259176 /nfs/dbraw/zinc/25/91/76/325259176.db2.gz LSITYADBSJWZTF-UHFFFAOYSA-N 1 2 249.343 1.434 20 0 BDADLO CCC[N@H+](CCC(=O)NCC)CC(F)F ZINC000133312685 325285812 /nfs/dbraw/zinc/28/58/12/325285812.db2.gz ILHHFYDQIOACAS-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CCC[N@@H+](CCC(=O)NCC)CC(F)F ZINC000133312685 325285815 /nfs/dbraw/zinc/28/58/15/325285815.db2.gz ILHHFYDQIOACAS-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO C[N@H+](CCc1cnccn1)Cc1csnn1 ZINC000546256107 325274421 /nfs/dbraw/zinc/27/44/21/325274421.db2.gz IYDPQHZJKGZWQI-UHFFFAOYSA-N 1 2 235.316 1.003 20 0 BDADLO C[N@@H+](CCc1cnccn1)Cc1csnn1 ZINC000546256107 325274422 /nfs/dbraw/zinc/27/44/22/325274422.db2.gz IYDPQHZJKGZWQI-UHFFFAOYSA-N 1 2 235.316 1.003 20 0 BDADLO O[C@@H]1CCC[C@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000564303284 325285926 /nfs/dbraw/zinc/28/59/26/325285926.db2.gz JPPUJSMBAHODQK-GXSJLCMTSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@@H]1CCC[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000564303284 325285928 /nfs/dbraw/zinc/28/59/28/325285928.db2.gz JPPUJSMBAHODQK-GXSJLCMTSA-N 1 2 248.330 1.624 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000075648741 325305393 /nfs/dbraw/zinc/30/53/93/325305393.db2.gz FMPTVJCVAMITES-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000075648741 325305395 /nfs/dbraw/zinc/30/53/95/325305395.db2.gz FMPTVJCVAMITES-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO CCn1cc(C[N@H+](C)[C@@H](C)c2cnccn2)cn1 ZINC000547350714 325345917 /nfs/dbraw/zinc/34/59/17/325345917.db2.gz NAHUDCACILAHHB-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@@H](C)c2cnccn2)cn1 ZINC000547350714 325345920 /nfs/dbraw/zinc/34/59/20/325345920.db2.gz NAHUDCACILAHHB-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1F ZINC000134492255 325361015 /nfs/dbraw/zinc/36/10/15/325361015.db2.gz OQJJTBFJXHETDW-UHFFFAOYSA-N 1 2 233.246 1.521 20 0 BDADLO O=C(CCc1ccccc1)NCCc1[nH]cc[nH+]1 ZINC000134490279 325361023 /nfs/dbraw/zinc/36/10/23/325361023.db2.gz KNDYULHOYKJSHU-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000547483959 325361869 /nfs/dbraw/zinc/36/18/69/325361869.db2.gz YUVBOKXCTAJZND-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)s1 ZINC000547539628 325371233 /nfs/dbraw/zinc/37/12/33/325371233.db2.gz WDLVOALJGCXVHW-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H]1C ZINC000134834566 325378221 /nfs/dbraw/zinc/37/82/21/325378221.db2.gz ROGNREMJPMSCFO-ZETCQYMHSA-N 1 2 208.265 1.056 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H]1C ZINC000134834566 325378222 /nfs/dbraw/zinc/37/82/22/325378222.db2.gz ROGNREMJPMSCFO-ZETCQYMHSA-N 1 2 208.265 1.056 20 0 BDADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC(=O)CC1 ZINC000547754586 325392083 /nfs/dbraw/zinc/39/20/83/325392083.db2.gz YFMKDVHRPZZNKA-JTQLQIEISA-N 1 2 247.298 1.021 20 0 BDADLO c1ccc2[nH+]c(CCNc3cccnn3)[nH]c2c1 ZINC000547760652 325393094 /nfs/dbraw/zinc/39/30/94/325393094.db2.gz RBQVUVALZVSCPF-UHFFFAOYSA-N 1 2 239.282 1.429 20 0 BDADLO CCCC[C@@H]([NH2+]CCOCC)C(=O)OC ZINC000135168551 325398503 /nfs/dbraw/zinc/39/85/03/325398503.db2.gz ZWTFXMBFXQNSGA-SNVBAGLBSA-N 1 2 217.309 1.344 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccccc1O ZINC000547863326 325409696 /nfs/dbraw/zinc/40/96/96/325409696.db2.gz XDMTWZNVNJOHHR-UHFFFAOYSA-N 1 2 231.255 1.307 20 0 BDADLO Cc1ccc(CSCCOCCO)c(C)[nH+]1 ZINC000548151146 325436381 /nfs/dbraw/zinc/43/63/81/325436381.db2.gz LDVSHKPXGFMIME-UHFFFAOYSA-N 1 2 241.356 1.941 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000082609853 325544739 /nfs/dbraw/zinc/54/47/39/325544739.db2.gz LCEOLFDEIRVGNS-JTQLQIEISA-N 1 2 244.335 1.232 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C)c(C)c[nH+]1 ZINC000552281039 325616540 /nfs/dbraw/zinc/61/65/40/325616540.db2.gz CMBREKGATUJUMT-WDEREUQCSA-N 1 2 234.299 1.484 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCO[C@H]2C)c(C)c[nH+]1 ZINC000552281038 325617119 /nfs/dbraw/zinc/61/71/19/325617119.db2.gz CMBREKGATUJUMT-QWRGUYRKSA-N 1 2 234.299 1.484 20 0 BDADLO CCc1[nH]nc(NC(=O)Cc2c[nH+]cn2C)c1C ZINC000554496021 325722648 /nfs/dbraw/zinc/72/26/48/325722648.db2.gz BBUBPLKKQCWLSS-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO CCC[C@H](CC)NC(=O)Cc1c[nH+]cn1C ZINC000554536328 325725903 /nfs/dbraw/zinc/72/59/03/325725903.db2.gz MHQYZFDYXSDRPH-JTQLQIEISA-N 1 2 223.320 1.658 20 0 BDADLO Cc1cccc(N(C)C(=O)Cn2cc[nH+]c2)n1 ZINC000555319925 325753651 /nfs/dbraw/zinc/75/36/51/325753651.db2.gz YATPXYZDAYKCSC-UHFFFAOYSA-N 1 2 230.271 1.250 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N1CCOCC1 ZINC000564441558 325792052 /nfs/dbraw/zinc/79/20/52/325792052.db2.gz DEBKPHOFZJZODL-UHFFFAOYSA-N 1 2 249.314 1.508 20 0 BDADLO CCOCCCC(=O)NCc1[nH+]ccn1CC ZINC000565211391 325875575 /nfs/dbraw/zinc/87/55/75/325875575.db2.gz AYYBHSBRMGMEIC-UHFFFAOYSA-N 1 2 239.319 1.336 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2ccon2)[nH+]c1C ZINC000565239659 325884016 /nfs/dbraw/zinc/88/40/16/325884016.db2.gz XXXNWSPYJPRBFC-VIFPVBQESA-N 1 2 220.276 1.865 20 0 BDADLO CCCc1nnnn1Cc1c[nH+]ccc1OC ZINC000565445270 325912192 /nfs/dbraw/zinc/91/21/92/325912192.db2.gz VKBPPYUEQFZSTN-UHFFFAOYSA-N 1 2 233.275 1.078 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000565475511 325915844 /nfs/dbraw/zinc/91/58/44/325915844.db2.gz ANRNEAHFQBVFAY-LLVKDONJSA-N 1 2 229.270 1.835 20 0 BDADLO COC[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566307685 326032161 /nfs/dbraw/zinc/03/21/61/326032161.db2.gz MRWNFUIJAWFEIS-GHMZBOCLSA-N 1 2 239.319 1.328 20 0 BDADLO C[C@H](CC(=O)N1CCC=C(F)C1)n1cc[nH+]c1 ZINC000566336589 326034838 /nfs/dbraw/zinc/03/48/38/326034838.db2.gz FOVVLLNURXWPIX-SNVBAGLBSA-N 1 2 237.278 1.920 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](F)C1 ZINC000566412335 326040550 /nfs/dbraw/zinc/04/05/50/326040550.db2.gz TZLRGSJOGDZZPZ-SNVBAGLBSA-N 1 2 237.278 1.778 20 0 BDADLO CN(C[C@H]1CC=CCC1)C(=O)Cn1cc[nH+]c1 ZINC000566762355 326080920 /nfs/dbraw/zinc/08/09/20/326080920.db2.gz MHVBLWMLRPLYDB-LBPRGKRZSA-N 1 2 233.315 1.698 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC(F)(F)F ZINC000566992040 326100501 /nfs/dbraw/zinc/10/05/01/326100501.db2.gz WQMHLKVFBDLCBU-UHFFFAOYSA-N 1 2 235.209 1.031 20 0 BDADLO COCC[N@H+](Cc1snnc1C)C1CC1 ZINC000567051934 326107055 /nfs/dbraw/zinc/10/70/55/326107055.db2.gz FQMYCXGMDBOLKP-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COCC[N@@H+](Cc1snnc1C)C1CC1 ZINC000567051934 326107057 /nfs/dbraw/zinc/10/70/57/326107057.db2.gz FQMYCXGMDBOLKP-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nc(C[NH2+]C(C)(C)c2cnn(C)c2)[nH]c1C ZINC000567063148 326109618 /nfs/dbraw/zinc/10/96/18/326109618.db2.gz QAUYLSQGLMLYOX-UHFFFAOYSA-N 1 2 247.346 1.785 20 0 BDADLO Cc1[nH]c(CNC(C)(C)c2cnn(C)c2)[nH+]c1C ZINC000567063148 326109620 /nfs/dbraw/zinc/10/96/20/326109620.db2.gz QAUYLSQGLMLYOX-UHFFFAOYSA-N 1 2 247.346 1.785 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCCc3n[nH]cc32)C1 ZINC000567247570 326149987 /nfs/dbraw/zinc/14/99/87/326149987.db2.gz LAAJMHGYBFJXFB-UHFFFAOYSA-N 1 2 248.330 1.031 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC(C)(C)C)C(C)C ZINC000154567048 326150999 /nfs/dbraw/zinc/15/09/99/326150999.db2.gz ICILSHKTMTYIGY-SNVBAGLBSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000567350227 326170750 /nfs/dbraw/zinc/17/07/50/326170750.db2.gz ZNXNJAAWHXOXIS-ZDUSSCGKSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000567350227 326170751 /nfs/dbraw/zinc/17/07/51/326170751.db2.gz ZNXNJAAWHXOXIS-ZDUSSCGKSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C2CC2)CC1 ZINC000154997386 326177564 /nfs/dbraw/zinc/17/75/64/326177564.db2.gz VZBXTLQHCVUHIP-UHFFFAOYSA-N 1 2 248.374 1.317 20 0 BDADLO CC(=O)c1cc(C[NH+]2CCC(CO)CC2)on1 ZINC000567435139 326189670 /nfs/dbraw/zinc/18/96/70/326189670.db2.gz BXGJROLXTRADGY-UHFFFAOYSA-N 1 2 238.287 1.082 20 0 BDADLO CCOC1(C)CC[NH+](Cc2nncn2C)CC1 ZINC000567561216 326217024 /nfs/dbraw/zinc/21/70/24/326217024.db2.gz PANAUSJIECXTPX-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO C[C@H]1C[NH+](CCn2ccsc2=O)C[C@H](C)O1 ZINC000313887798 326284944 /nfs/dbraw/zinc/28/49/44/326284944.db2.gz OUPKQHNUSJZBKF-UWVGGRQHSA-N 1 2 242.344 1.019 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC000157867901 326298960 /nfs/dbraw/zinc/29/89/60/326298960.db2.gz MSSNYFYXJAWQRU-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC(C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000568039158 326299097 /nfs/dbraw/zinc/29/90/97/326299097.db2.gz FJMPWBGERCLGHN-JTQLQIEISA-N 1 2 223.320 1.513 20 0 BDADLO CN1CC[C@H]([N@@H+]2CCc3cccc(F)c3C2)C1=O ZINC000157882318 326299469 /nfs/dbraw/zinc/29/94/69/326299469.db2.gz SLGKIOLSAVHKAI-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@H]([N@H+]2CCc3cccc(F)c3C2)C1=O ZINC000157882318 326299471 /nfs/dbraw/zinc/29/94/71/326299471.db2.gz SLGKIOLSAVHKAI-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO C[C@@H](C(=O)[O-])[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000568060841 326302165 /nfs/dbraw/zinc/30/21/65/326302165.db2.gz QPAHIOMHGNMHNA-NEPJUHHUSA-N 1 2 242.363 1.417 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCOC1)C1CC1 ZINC000568121105 326310272 /nfs/dbraw/zinc/31/02/72/326310272.db2.gz SAUFHAZEWSAFOF-MNOVXSKESA-N 1 2 249.314 1.024 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cn1 ZINC000568193846 326324565 /nfs/dbraw/zinc/32/45/65/326324565.db2.gz WLOHIILCCLINNQ-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cn1 ZINC000568193846 326324568 /nfs/dbraw/zinc/32/45/68/326324568.db2.gz WLOHIILCCLINNQ-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568234448 326330905 /nfs/dbraw/zinc/33/09/05/326330905.db2.gz PIEAVZSOYHUWMU-OPRDCNLKSA-N 1 2 239.319 1.648 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cnoc1C ZINC000158663063 326336043 /nfs/dbraw/zinc/33/60/43/326336043.db2.gz WAMZZAWANXLKLX-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cnoc1C ZINC000158663063 326336045 /nfs/dbraw/zinc/33/60/45/326336045.db2.gz WAMZZAWANXLKLX-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000568361626 326349312 /nfs/dbraw/zinc/34/93/12/326349312.db2.gz VBIRVUDMVATPEK-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000568643948 326370347 /nfs/dbraw/zinc/37/03/47/326370347.db2.gz VEFDTRQHAQGFKA-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCOC[C@H]1C)c1[nH]cc[nH+]1 ZINC000568662392 326371735 /nfs/dbraw/zinc/37/17/35/326371735.db2.gz AKZDZXREEKBYRL-BBBLOLIVSA-N 1 2 237.303 1.260 20 0 BDADLO FC1(C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000568933954 326382723 /nfs/dbraw/zinc/38/27/23/326382723.db2.gz JLNFFWPLHPRAGR-UHFFFAOYSA-N 1 2 235.306 1.706 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682511129 487973347 /nfs/dbraw/zinc/97/33/47/487973347.db2.gz DKFBFOMVRIHLMJ-JTQLQIEISA-N 1 2 245.326 1.504 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000682532682 487978777 /nfs/dbraw/zinc/97/87/77/487978777.db2.gz WQZKQQPRCDVXDQ-IWSPIJDZSA-N 1 2 207.277 1.633 20 0 BDADLO O[C@@H]1C[N@H+](CC2CCC2)CC(F)(F)C1 ZINC000682542714 487981734 /nfs/dbraw/zinc/98/17/34/487981734.db2.gz HTDJJOMVVUXFCH-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO O[C@@H]1C[N@@H+](CC2CCC2)CC(F)(F)C1 ZINC000682542714 487981744 /nfs/dbraw/zinc/98/17/44/487981744.db2.gz HTDJJOMVVUXFCH-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO Cc1cc(NC(=O)N2CCO[C@H]3C[C@H]32)c(C)c[nH+]1 ZINC000652797819 487987257 /nfs/dbraw/zinc/98/72/57/487987257.db2.gz QFGWNRCHKWAWRD-NEPJUHHUSA-N 1 2 247.298 1.125 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220516855 487988115 /nfs/dbraw/zinc/98/81/15/487988115.db2.gz JBEOFNQMVFYIIZ-MNOVXSKESA-N 1 2 247.342 1.916 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220516855 487988120 /nfs/dbraw/zinc/98/81/20/487988120.db2.gz JBEOFNQMVFYIIZ-MNOVXSKESA-N 1 2 247.342 1.916 20 0 BDADLO O[C@H]1C[N@H+](CC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682559971 487988743 /nfs/dbraw/zinc/98/87/43/487988743.db2.gz YZCVQMPWQLZDJG-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682559971 487988748 /nfs/dbraw/zinc/98/87/48/487988748.db2.gz YZCVQMPWQLZDJG-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO Cc1cc(N[C@H]2COC(C)(C)C2)nc[nH+]1 ZINC000396633998 487992369 /nfs/dbraw/zinc/99/23/69/487992369.db2.gz HBLNMYXDBHZMFY-SECBINFHSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000682089180 487996041 /nfs/dbraw/zinc/99/60/41/487996041.db2.gz KYIWQLFFBSJAKE-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000682089180 487996045 /nfs/dbraw/zinc/99/60/45/487996045.db2.gz KYIWQLFFBSJAKE-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000668603136 487996226 /nfs/dbraw/zinc/99/62/26/487996226.db2.gz CIRQCEFDMRXVNY-UWVGGRQHSA-N 1 2 237.303 1.231 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](CO)CC2CC2)[nH+]1 ZINC000677235461 488001238 /nfs/dbraw/zinc/00/12/38/488001238.db2.gz BNWGOLJLBSEWSN-SNVBAGLBSA-N 1 2 246.314 1.839 20 0 BDADLO CCc1nnc(C[NH+]2CCC(SC)CC2)[nH]1 ZINC000602923118 488002393 /nfs/dbraw/zinc/00/23/93/488002393.db2.gz PGIUZBOYCOBKNF-UHFFFAOYSA-N 1 2 240.376 1.695 20 0 BDADLO CCCc1nc(CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000682673637 488010675 /nfs/dbraw/zinc/01/06/75/488010675.db2.gz TWLJJFPDKIQGLG-UHFFFAOYSA-N 1 2 235.291 1.377 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cc(C)ns2)CC1 ZINC000682673644 488011188 /nfs/dbraw/zinc/01/11/88/488011188.db2.gz SHKQHWZXOQXBPV-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCCCCO1 ZINC000682676870 488011785 /nfs/dbraw/zinc/01/17/85/488011785.db2.gz DTHPSQQBKZZCAH-UHFFFAOYSA-N 1 2 237.303 1.607 20 0 BDADLO CC(C)OC(=O)CC[C@@H](C)[NH2+]CC(F)F ZINC001172742602 974920039 /nfs/dbraw/zinc/92/00/39/974920039.db2.gz NOZCQWZBGQPDPY-MRVPVSSYSA-N 1 2 223.263 1.961 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1CC=CC1 ZINC000682696275 488021195 /nfs/dbraw/zinc/02/11/95/488021195.db2.gz DPTRMNPPHMHUKB-UHFFFAOYSA-N 1 2 205.261 1.177 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1CC=CC1 ZINC000682696275 488021197 /nfs/dbraw/zinc/02/11/97/488021197.db2.gz DPTRMNPPHMHUKB-UHFFFAOYSA-N 1 2 205.261 1.177 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668623180 488023383 /nfs/dbraw/zinc/02/33/83/488023383.db2.gz JPIJMGFMVRDKLF-VXGBXAGGSA-N 1 2 247.342 1.782 20 0 BDADLO CCc1cc(N[C@@H](CO)CC(F)(F)F)nc[nH+]1 ZINC000677421029 488032964 /nfs/dbraw/zinc/03/29/64/488032964.db2.gz YESLHTWXYYMCAG-MRVPVSSYSA-N 1 2 249.236 1.764 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nnc(C)n2C)c1 ZINC000682781010 488040214 /nfs/dbraw/zinc/04/02/14/488040214.db2.gz WLKGGQMSUYDZQH-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nnc(C)n2C)c1 ZINC000682781010 488040217 /nfs/dbraw/zinc/04/02/17/488040217.db2.gz WLKGGQMSUYDZQH-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CC1(O)C[NH+](C/C=C/c2ccccc2)C1 ZINC000084356174 488046249 /nfs/dbraw/zinc/04/62/49/488046249.db2.gz FJVDMCYYMWFPMZ-VMPITWQZSA-N 1 2 203.285 1.766 20 0 BDADLO CSc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000084357449 488046310 /nfs/dbraw/zinc/04/63/10/488046310.db2.gz JXCTUIKAYNMWOL-UHFFFAOYSA-N 1 2 223.341 1.975 20 0 BDADLO COCC(C)(C)C[N@@H+]1CCOCC(F)(F)C1 ZINC000685476642 488047523 /nfs/dbraw/zinc/04/75/23/488047523.db2.gz KRQPFCAUPRJACP-UHFFFAOYSA-N 1 2 237.290 1.627 20 0 BDADLO COCC(C)(C)C[N@H+]1CCOCC(F)(F)C1 ZINC000685476642 488047528 /nfs/dbraw/zinc/04/75/28/488047528.db2.gz KRQPFCAUPRJACP-UHFFFAOYSA-N 1 2 237.290 1.627 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CCCOC1 ZINC000656121220 488052334 /nfs/dbraw/zinc/05/23/34/488052334.db2.gz KFNASNFHXIZDJS-SECBINFHSA-N 1 2 223.276 1.385 20 0 BDADLO O=C(NC1CC=CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000637045574 488053064 /nfs/dbraw/zinc/05/30/64/488053064.db2.gz MHOAXHNOPYROOP-SNVBAGLBSA-N 1 2 246.314 1.285 20 0 BDADLO O=C(NC1CC=CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000637045574 488053066 /nfs/dbraw/zinc/05/30/66/488053066.db2.gz MHOAXHNOPYROOP-SNVBAGLBSA-N 1 2 246.314 1.285 20 0 BDADLO CCCN(C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670077734 488055184 /nfs/dbraw/zinc/05/51/84/488055184.db2.gz RVLCVDIYOWGYBD-UHFFFAOYSA-N 1 2 236.319 1.443 20 0 BDADLO CC[C@@H](Nc1cc(COC)ncn1)c1[nH]cc[nH+]1 ZINC000682918956 488064183 /nfs/dbraw/zinc/06/41/83/488064183.db2.gz HCMYMHOHDMOHAH-SNVBAGLBSA-N 1 2 247.302 1.909 20 0 BDADLO CO[C@H](C)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000672337988 488067616 /nfs/dbraw/zinc/06/76/16/488067616.db2.gz MJLSDMIIONADKG-SNVBAGLBSA-N 1 2 247.302 1.133 20 0 BDADLO COC[C@@H](C)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000683000519 488083598 /nfs/dbraw/zinc/08/35/98/488083598.db2.gz CFEMAIYQHJWRPH-JTQLQIEISA-N 1 2 247.302 1.357 20 0 BDADLO CCc1nocc1C(=O)Nc1c[nH+]ccc1OC ZINC000667679580 488084419 /nfs/dbraw/zinc/08/44/19/488084419.db2.gz JBRWEHAGHQJHFL-UHFFFAOYSA-N 1 2 247.254 1.893 20 0 BDADLO COCCOC1C[NH+](Cc2ccncc2C)C1 ZINC000656523094 488089488 /nfs/dbraw/zinc/08/94/88/488089488.db2.gz LXHURQPXJUQCLH-UHFFFAOYSA-N 1 2 236.315 1.237 20 0 BDADLO c1cn(-c2cc(S[C@H]3CCOC3)ncn2)c[nH+]1 ZINC000683079046 488106173 /nfs/dbraw/zinc/10/61/73/488106173.db2.gz CFXMGBZAGGXOHY-VIFPVBQESA-N 1 2 248.311 1.543 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000683108175 488110110 /nfs/dbraw/zinc/11/01/10/488110110.db2.gz DLDGKAXDQBBDED-NXEZZACHSA-N 1 2 229.287 1.730 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000677738556 488116528 /nfs/dbraw/zinc/11/65/28/488116528.db2.gz KNPADYCXFAJTLD-QWRGUYRKSA-N 1 2 249.301 1.912 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000677738556 488116532 /nfs/dbraw/zinc/11/65/32/488116532.db2.gz KNPADYCXFAJTLD-QWRGUYRKSA-N 1 2 249.301 1.912 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000670108250 488116668 /nfs/dbraw/zinc/11/66/68/488116668.db2.gz WRTCGQGMFMXYLN-SVRRBLITSA-N 1 2 247.245 1.753 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000670108250 488116673 /nfs/dbraw/zinc/11/66/73/488116673.db2.gz WRTCGQGMFMXYLN-SVRRBLITSA-N 1 2 247.245 1.753 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(O)cc1 ZINC000677763147 488119853 /nfs/dbraw/zinc/11/98/53/488119853.db2.gz XDADUIYWOSESEH-UHFFFAOYSA-N 1 2 246.314 1.543 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(O)cc1 ZINC000677763147 488119855 /nfs/dbraw/zinc/11/98/55/488119855.db2.gz XDADUIYWOSESEH-UHFFFAOYSA-N 1 2 246.314 1.543 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOCC2CCC2)o1 ZINC000677767262 488121146 /nfs/dbraw/zinc/12/11/46/488121146.db2.gz HWBHGAYDOGVZRM-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOCC2CCC2)o1 ZINC000677767262 488121151 /nfs/dbraw/zinc/12/11/51/488121151.db2.gz HWBHGAYDOGVZRM-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO CCCCCC(=O)NCCn1cc[nH+]c1 ZINC000041979378 488122848 /nfs/dbraw/zinc/12/28/48/488122848.db2.gz AFTROWDEDCCGGN-UHFFFAOYSA-N 1 2 209.293 1.580 20 0 BDADLO CC(C)n1ccnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000677801831 488124761 /nfs/dbraw/zinc/12/47/61/488124761.db2.gz JNZMIPYCFZLRFD-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO CCc1noc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)n1 ZINC000683223249 488132814 /nfs/dbraw/zinc/13/28/14/488132814.db2.gz RKAWXVGYYLHXKK-ILWJIGKKSA-N 1 2 239.319 1.366 20 0 BDADLO CCc1noc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)n1 ZINC000683223249 488132817 /nfs/dbraw/zinc/13/28/17/488132817.db2.gz RKAWXVGYYLHXKK-ILWJIGKKSA-N 1 2 239.319 1.366 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1[nH+]c2ccccc2n1C ZINC000677881259 487541532 /nfs/dbraw/zinc/54/15/32/487541532.db2.gz VBFJEGOEQKWGTK-CYBMUJFWSA-N 1 2 245.326 1.780 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1F ZINC000668791675 487545772 /nfs/dbraw/zinc/54/57/72/487545772.db2.gz VPCSVICKALVZFL-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1F ZINC000668791675 487545778 /nfs/dbraw/zinc/54/57/78/487545778.db2.gz VPCSVICKALVZFL-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](CCO)C2)no1 ZINC000685563132 487545686 /nfs/dbraw/zinc/54/56/86/487545686.db2.gz ARIJRNWPSXOTDB-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](CCO)C2)no1 ZINC000685563132 487545691 /nfs/dbraw/zinc/54/56/91/487545691.db2.gz ARIJRNWPSXOTDB-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO C[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)[NH+](C)C ZINC000674287185 487547361 /nfs/dbraw/zinc/54/73/61/487547361.db2.gz ZNHGNOSDWUJBEH-QMMMGPOBSA-N 1 2 232.287 1.452 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)o1 ZINC000685570611 487552714 /nfs/dbraw/zinc/55/27/14/487552714.db2.gz HWOYDABSFPITFP-QWRGUYRKSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)o1 ZINC000685570611 487552715 /nfs/dbraw/zinc/55/27/15/487552715.db2.gz HWOYDABSFPITFP-QWRGUYRKSA-N 1 2 237.347 1.816 20 0 BDADLO O[C@H](C[N@@H+]1CCc2cn[nH]c2C1)C1CCCCC1 ZINC000682767281 487553160 /nfs/dbraw/zinc/55/31/60/487553160.db2.gz LVGPLTWAMLCBDV-CQSZACIVSA-N 1 2 249.358 1.709 20 0 BDADLO O[C@H](C[N@H+]1CCc2cn[nH]c2C1)C1CCCCC1 ZINC000682767281 487553166 /nfs/dbraw/zinc/55/31/66/487553166.db2.gz LVGPLTWAMLCBDV-CQSZACIVSA-N 1 2 249.358 1.709 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccc[nH]2)c1 ZINC000680260560 487554293 /nfs/dbraw/zinc/55/42/93/487554293.db2.gz WXAYXBBRKHIQHP-UHFFFAOYSA-N 1 2 230.271 1.728 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000392799015 487555506 /nfs/dbraw/zinc/55/55/06/487555506.db2.gz QISRXVXLRWEQMS-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccnc(C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000392799015 487555513 /nfs/dbraw/zinc/55/55/13/487555513.db2.gz QISRXVXLRWEQMS-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000680070870 487531708 /nfs/dbraw/zinc/53/17/08/487531708.db2.gz OMFIDXJELZXVIB-HTQZYQBOSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000680070870 487531713 /nfs/dbraw/zinc/53/17/13/487531713.db2.gz OMFIDXJELZXVIB-HTQZYQBOSA-N 1 2 227.333 1.056 20 0 BDADLO CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CCC12COC2 ZINC001172759940 974931972 /nfs/dbraw/zinc/93/19/72/974931972.db2.gz TZTJLEFKHDVNND-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC12COC2 ZINC001172759940 974931978 /nfs/dbraw/zinc/93/19/78/974931978.db2.gz TZTJLEFKHDVNND-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@](C)(O)C2)s1 ZINC000680073131 487531933 /nfs/dbraw/zinc/53/19/33/487531933.db2.gz IHYUMEMFIFCODB-NSHDSACASA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@](C)(O)C2)s1 ZINC000680073131 487531935 /nfs/dbraw/zinc/53/19/35/487531935.db2.gz IHYUMEMFIFCODB-NSHDSACASA-N 1 2 241.360 1.447 20 0 BDADLO CCn1c[nH+]cc1CN1CC(F)(F)C[C@H]1CO ZINC000669559307 487471085 /nfs/dbraw/zinc/47/10/85/487471085.db2.gz IUISYCPFFGFXCD-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CC1(O)CCCC1)CC2 ZINC000679869509 487477491 /nfs/dbraw/zinc/47/74/91/487477491.db2.gz PNIYALGXDHDAEJ-UHFFFAOYSA-N 1 2 235.331 1.312 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CC1(O)CCCC1)CC2 ZINC000679869509 487477493 /nfs/dbraw/zinc/47/74/93/487477493.db2.gz PNIYALGXDHDAEJ-UHFFFAOYSA-N 1 2 235.331 1.312 20 0 BDADLO CC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)COC1 ZINC000679884840 487480170 /nfs/dbraw/zinc/48/01/70/487480170.db2.gz OCNMLKXTDIMZEP-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CC12CCCC2 ZINC000673936099 487486073 /nfs/dbraw/zinc/48/60/73/487486073.db2.gz VCMJAMYZGOREPV-VIFPVBQESA-N 1 2 232.283 1.728 20 0 BDADLO Cc1cc[nH+]cc1N1CCN(CC(F)F)CC1 ZINC000685006197 487491119 /nfs/dbraw/zinc/49/11/19/487491119.db2.gz JFPCRROZOUBTQC-UHFFFAOYSA-N 1 2 241.285 1.777 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668758735 487492186 /nfs/dbraw/zinc/49/21/86/487492186.db2.gz GXMGQQJFIGFYPT-LLVKDONJSA-N 1 2 233.315 1.703 20 0 BDADLO CC(C)CNC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000677802616 487496121 /nfs/dbraw/zinc/49/61/21/487496121.db2.gz QIXMFJBMPIWQCD-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013105 487499803 /nfs/dbraw/zinc/49/98/03/487499803.db2.gz KMKMUYLQEBOCQD-NWDGAFQWSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013105 487499810 /nfs/dbraw/zinc/49/98/10/487499810.db2.gz KMKMUYLQEBOCQD-NWDGAFQWSA-N 1 2 236.290 1.836 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@@H](C)c1nccn1C ZINC000394117861 487513011 /nfs/dbraw/zinc/51/30/11/487513011.db2.gz XZMIQMMBTSQCFV-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO CCCn1nccc1C[NH+]1CC(C)(CO)C1 ZINC000668233803 487508533 /nfs/dbraw/zinc/50/85/33/487508533.db2.gz NIKMLTUJAOTKCG-UHFFFAOYSA-N 1 2 223.320 1.107 20 0 BDADLO CCc1cc(NCC2(CO)CC2)nc[nH+]1 ZINC000118907528 487516195 /nfs/dbraw/zinc/51/61/95/487516195.db2.gz REQWOESHOFHUKB-UHFFFAOYSA-N 1 2 207.277 1.223 20 0 BDADLO C[N@@H+](Cc1cocn1)CC1=CCSC1 ZINC000668775342 487520952 /nfs/dbraw/zinc/52/09/52/487520952.db2.gz UBNDOZBTILOFTC-UHFFFAOYSA-N 1 2 210.302 1.780 20 0 BDADLO C[N@H+](Cc1cocn1)CC1=CCSC1 ZINC000668775342 487520962 /nfs/dbraw/zinc/52/09/62/487520962.db2.gz UBNDOZBTILOFTC-UHFFFAOYSA-N 1 2 210.302 1.780 20 0 BDADLO C[C@@H](C(=O)Nc1cc[nH+]cc1O)C1CCCC1 ZINC000674133940 487524613 /nfs/dbraw/zinc/52/46/13/487524613.db2.gz BMLRGTIAAJZQBP-SECBINFHSA-N 1 2 234.299 1.974 20 0 BDADLO CCOCC[N@H+](CC)[C@@H](C)c1nc(C)no1 ZINC000677890575 488149348 /nfs/dbraw/zinc/14/93/48/488149348.db2.gz ZLXVAKORYMZMEV-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO CCOCC[N@@H+](CC)[C@@H](C)c1nc(C)no1 ZINC000677890575 488149353 /nfs/dbraw/zinc/14/93/53/488149353.db2.gz ZLXVAKORYMZMEV-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO CCc1nnc(C[N@H+](CCO)CC2CC2)s1 ZINC000680048402 487527062 /nfs/dbraw/zinc/52/70/62/487527062.db2.gz QKLYVWUEZBDATG-UHFFFAOYSA-N 1 2 241.360 1.305 20 0 BDADLO CCc1nnc(C[N@@H+](CCO)CC2CC2)s1 ZINC000680048402 487527070 /nfs/dbraw/zinc/52/70/70/487527070.db2.gz QKLYVWUEZBDATG-UHFFFAOYSA-N 1 2 241.360 1.305 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@](C)(O)C2)[nH+]1 ZINC000674338215 487561608 /nfs/dbraw/zinc/56/16/08/487561608.db2.gz NYQAOGVCASBNAA-LBPRGKRZSA-N 1 2 232.287 1.227 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ncccc1F ZINC000527022476 487566916 /nfs/dbraw/zinc/56/69/16/487566916.db2.gz CLTXOQQBLXQWPD-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ncccc1F ZINC000527022476 487566922 /nfs/dbraw/zinc/56/69/22/487566922.db2.gz CLTXOQQBLXQWPD-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2cc(CC)[nH+]cn2)C1 ZINC000675550059 487747134 /nfs/dbraw/zinc/74/71/34/487747134.db2.gz IANZMBXFSPPOEC-LLVKDONJSA-N 1 2 248.330 1.462 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000089065212 487758623 /nfs/dbraw/zinc/75/86/23/487758623.db2.gz NRCSZDVBKQGUJH-OLZOCXBDSA-N 1 2 241.294 1.830 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000089065212 487758630 /nfs/dbraw/zinc/75/86/30/487758630.db2.gz NRCSZDVBKQGUJH-OLZOCXBDSA-N 1 2 241.294 1.830 20 0 BDADLO Cc1nc(N2CC3(CC(F)C3)C2)cc[nH+]1 ZINC000677124442 487976285 /nfs/dbraw/zinc/97/62/85/487976285.db2.gz HZAFOROPRGVAIB-UHFFFAOYSA-N 1 2 207.252 1.723 20 0 BDADLO CC1(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)CC1 ZINC000683238298 488136180 /nfs/dbraw/zinc/13/61/80/488136180.db2.gz CVHZYDOIHSGTFC-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000518327694 488142550 /nfs/dbraw/zinc/14/25/50/488142550.db2.gz ATHSLMIWUJZSCU-YPMHNXCESA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000518327694 488142554 /nfs/dbraw/zinc/14/25/54/488142554.db2.gz ATHSLMIWUJZSCU-YPMHNXCESA-N 1 2 235.331 1.893 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ccncc2)nn1 ZINC000404447267 488161328 /nfs/dbraw/zinc/16/13/28/488161328.db2.gz KJBFUDNHPYIUJL-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO CCCn1nccc1CN(C)Cc1[nH+]ccn1C ZINC000667947850 488166408 /nfs/dbraw/zinc/16/64/08/488166408.db2.gz DFOWQOHPRXZIGF-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150117 488169731 /nfs/dbraw/zinc/16/97/31/488169731.db2.gz GGKJXVCKVCDLNU-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1nc(C(=O)N2CCc3[nH]c[nH+]c3C2)c(C)o1 ZINC000627372417 488182754 /nfs/dbraw/zinc/18/27/54/488182754.db2.gz LOEMNBZFICXEJS-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Cc1nc(C(=O)N2CCc3[nH+]c[nH]c3C2)c(C)o1 ZINC000627372417 488182761 /nfs/dbraw/zinc/18/27/61/488182761.db2.gz LOEMNBZFICXEJS-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Cn1cccc1C[N@@H+]1CCc2nccnc2C1 ZINC000668736280 488187177 /nfs/dbraw/zinc/18/71/77/488187177.db2.gz WGXLRQQFNPTSER-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1cccc1C[N@H+]1CCc2nccnc2C1 ZINC000668736280 488187181 /nfs/dbraw/zinc/18/71/81/488187181.db2.gz WGXLRQQFNPTSER-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ncn(C)n1 ZINC000668029286 488190341 /nfs/dbraw/zinc/19/03/41/488190341.db2.gz SVOPOAVOQBCIMD-INTQDDNPSA-N 1 2 236.319 1.033 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2nc(C)no2)CO1 ZINC000668050685 488195741 /nfs/dbraw/zinc/19/57/41/488195741.db2.gz XSFKYFHJFVLUSF-SZEHBUNVSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1cc(NC(=O)c2nccs2)c(C)c[nH+]1 ZINC000683561439 488195920 /nfs/dbraw/zinc/19/59/20/488195920.db2.gz HDGLYAMPCPUCKX-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO Cc1cc(NC(=O)N(CCCO)C2CC2)cc[nH+]1 ZINC000678095904 488197329 /nfs/dbraw/zinc/19/73/29/488197329.db2.gz CNVFJQFWOAAXEK-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000678133519 488202509 /nfs/dbraw/zinc/20/25/09/488202509.db2.gz DTORLBCIWSPQSC-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000678133519 488202513 /nfs/dbraw/zinc/20/25/13/488202513.db2.gz DTORLBCIWSPQSC-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1nccs1 ZINC000683616950 488203079 /nfs/dbraw/zinc/20/30/79/488203079.db2.gz UDANIPIHSWTOKC-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1scnc1C ZINC000678139445 488204737 /nfs/dbraw/zinc/20/47/37/488204737.db2.gz REZLVQHCEZIAKF-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1scnc1C ZINC000678139445 488204740 /nfs/dbraw/zinc/20/47/40/488204740.db2.gz REZLVQHCEZIAKF-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO c1nn2c(c1C[N@@H+]1CCn3cncc3C1)CCC2 ZINC000668178504 488215230 /nfs/dbraw/zinc/21/52/30/488215230.db2.gz YGTGLARHAWLRGL-UHFFFAOYSA-N 1 2 243.314 1.042 20 0 BDADLO c1nn2c(c1C[N@H+]1CCn3cncc3C1)CCC2 ZINC000668178504 488215231 /nfs/dbraw/zinc/21/52/31/488215231.db2.gz YGTGLARHAWLRGL-UHFFFAOYSA-N 1 2 243.314 1.042 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668193518 488219821 /nfs/dbraw/zinc/21/98/21/488219821.db2.gz HFOOGPQXJFUKQC-MYJAWHEDSA-N 1 2 219.288 1.082 20 0 BDADLO Cc1cn(C)nc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000668199202 488221986 /nfs/dbraw/zinc/22/19/86/488221986.db2.gz LXJAIOIASIOMAJ-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO Cc1cn(C)nc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000668199202 488221988 /nfs/dbraw/zinc/22/19/88/488221988.db2.gz LXJAIOIASIOMAJ-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000678273885 488233618 /nfs/dbraw/zinc/23/36/18/488233618.db2.gz WTDHIFASDQAOQM-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000678273885 488233621 /nfs/dbraw/zinc/23/36/21/488233621.db2.gz WTDHIFASDQAOQM-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO Cn1nncc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678283419 488236828 /nfs/dbraw/zinc/23/68/28/488236828.db2.gz LCWAXRIMTDDLNS-CYBMUJFWSA-N 1 2 246.289 1.901 20 0 BDADLO Cn1nncc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678283419 488236830 /nfs/dbraw/zinc/23/68/30/488236830.db2.gz LCWAXRIMTDDLNS-CYBMUJFWSA-N 1 2 246.289 1.901 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672147119 488240754 /nfs/dbraw/zinc/24/07/54/488240754.db2.gz HTUOCGXGIQXBMK-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOCC1CCC1 ZINC000678334719 488241765 /nfs/dbraw/zinc/24/17/65/488241765.db2.gz VEHWARNQVBFUBB-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOCC1CCC1 ZINC000678334719 488241768 /nfs/dbraw/zinc/24/17/68/488241768.db2.gz VEHWARNQVBFUBB-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149209 488242033 /nfs/dbraw/zinc/24/20/33/488242033.db2.gz IWJGEMQNVDXSDE-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149079 488242057 /nfs/dbraw/zinc/24/20/57/488242057.db2.gz FGZVIOQMEDRBML-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149210 488242095 /nfs/dbraw/zinc/24/20/95/488242095.db2.gz IWJGEMQNVDXSDE-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000672154129 488242467 /nfs/dbraw/zinc/24/24/67/488242467.db2.gz IMTDTENTZDBQAT-GFCCVEGCSA-N 1 2 241.294 1.628 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)o1 ZINC000672155544 488242625 /nfs/dbraw/zinc/24/26/25/488242625.db2.gz BNGDDXJXMUSCGI-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154949 488242703 /nfs/dbraw/zinc/24/27/03/488242703.db2.gz VDMGTAQDVLTQEH-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)o1 ZINC000672155543 488242798 /nfs/dbraw/zinc/24/27/98/488242798.db2.gz BNGDDXJXMUSCGI-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1c(O)cccc1F ZINC000678374802 488248028 /nfs/dbraw/zinc/24/80/28/488248028.db2.gz ZYUXVZJWMHOQTB-UHFFFAOYSA-N 1 2 235.218 1.367 20 0 BDADLO CO[C@@]1(CNc2cc3cc[nH]c3c[nH+]2)CCOC1 ZINC000672251075 488248086 /nfs/dbraw/zinc/24/80/86/488248086.db2.gz CMYBHPUVWYEFJK-CYBMUJFWSA-N 1 2 247.298 1.780 20 0 BDADLO Cc1cc(N2CCC3(CCOC3)CC2)nc[nH+]1 ZINC000672274324 488249025 /nfs/dbraw/zinc/24/90/25/488249025.db2.gz GAXBRKMAZLWECI-UHFFFAOYSA-N 1 2 233.315 1.792 20 0 BDADLO CCc1nsc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000678400819 488251346 /nfs/dbraw/zinc/25/13/46/488251346.db2.gz DJJWGSHTARETIA-UHFFFAOYSA-N 1 2 223.305 1.460 20 0 BDADLO Cc1cnc(C[N@H+]2CCNC(=O)C[C@H]2C)s1 ZINC000678529317 488264128 /nfs/dbraw/zinc/26/41/28/488264128.db2.gz AWCWKXAIGQKOPN-MRVPVSSYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cnc(C[N@@H+]2CCNC(=O)C[C@H]2C)s1 ZINC000678529317 488264129 /nfs/dbraw/zinc/26/41/29/488264129.db2.gz AWCWKXAIGQKOPN-MRVPVSSYSA-N 1 2 239.344 1.162 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1c(O)cccc1F ZINC000672901297 488268438 /nfs/dbraw/zinc/26/84/38/488268438.db2.gz KRPCVHUSFPGXCU-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO O=c1cc(C[N@H+]2CC=CCC2)nc2sccn21 ZINC000679323736 488337164 /nfs/dbraw/zinc/33/71/64/488337164.db2.gz ITRQTFQDUGIVNH-UHFFFAOYSA-N 1 2 247.323 1.518 20 0 BDADLO O=c1cc(C[N@@H+]2CC=CCC2)nc2sccn21 ZINC000679323736 488337166 /nfs/dbraw/zinc/33/71/66/488337166.db2.gz ITRQTFQDUGIVNH-UHFFFAOYSA-N 1 2 247.323 1.518 20 0 BDADLO FC1CC2(C1)C[NH+](Cc1cn3cccnc3n1)C2 ZINC000678713317 488276762 /nfs/dbraw/zinc/27/67/62/488276762.db2.gz ILMSLQLBCUHDRN-UHFFFAOYSA-N 1 2 246.289 1.663 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1nccn1C ZINC000678769469 488281079 /nfs/dbraw/zinc/28/10/79/488281079.db2.gz DVXMREWQCBFZGI-LLVKDONJSA-N 1 2 233.319 1.693 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2nccn2C)n1 ZINC000678768939 488281260 /nfs/dbraw/zinc/28/12/60/488281260.db2.gz JVMYLOVYKMLGRZ-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CN(CCN1CCCC1=O)c1cc[nH+]cc1F ZINC000678787265 488282891 /nfs/dbraw/zinc/28/28/91/488282891.db2.gz GKOBIWRGOJBFDN-UHFFFAOYSA-N 1 2 237.278 1.279 20 0 BDADLO O[C@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]cc1F ZINC000678788080 488283118 /nfs/dbraw/zinc/28/31/18/488283118.db2.gz DJMGNKRFQUTJIY-UONOGXRCSA-N 1 2 244.269 1.713 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000678802615 488285174 /nfs/dbraw/zinc/28/51/74/488285174.db2.gz FFEJKVFVXCILFX-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000678802615 488285176 /nfs/dbraw/zinc/28/51/76/488285176.db2.gz FFEJKVFVXCILFX-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCCCN1 ZINC000673477247 488288663 /nfs/dbraw/zinc/28/86/63/488288663.db2.gz LOJMUVADZNQULS-UHFFFAOYSA-N 1 2 244.298 1.004 20 0 BDADLO CC(C)=CC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000678888137 488294100 /nfs/dbraw/zinc/29/41/00/488294100.db2.gz YQXISWSYXRESQA-UHFFFAOYSA-N 1 2 249.362 1.197 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000684333954 488294398 /nfs/dbraw/zinc/29/43/98/488294398.db2.gz KUVMGSCXUIDCTP-GMTAPVOTSA-N 1 2 233.315 1.455 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1csnn1 ZINC000678938689 488297009 /nfs/dbraw/zinc/29/70/09/488297009.db2.gz GVPDENDLMVMAOY-GFCCVEGCSA-N 1 2 249.339 1.670 20 0 BDADLO COCC[C@H]([NH2+]Cc1cn(C)cn1)c1ccco1 ZINC000673606463 488297701 /nfs/dbraw/zinc/29/77/01/488297701.db2.gz IGXJTZSVQWCXTM-LBPRGKRZSA-N 1 2 249.314 1.881 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1ccc(Cl)o1 ZINC000673637588 488299414 /nfs/dbraw/zinc/29/94/14/488299414.db2.gz HOGQYDUEDGBVNB-UHFFFAOYSA-N 1 2 239.662 1.446 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1nc(C2CC2)cs1 ZINC000673646298 488299768 /nfs/dbraw/zinc/29/97/68/488299768.db2.gz CVOQUMKRSRIYQH-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CC1(F)CC1)CC2 ZINC000684394082 488305037 /nfs/dbraw/zinc/30/50/37/488305037.db2.gz WSYIMXYRUCTBAH-UHFFFAOYSA-N 1 2 209.268 1.509 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CC1(F)CC1)CC2 ZINC000684394082 488305039 /nfs/dbraw/zinc/30/50/39/488305039.db2.gz WSYIMXYRUCTBAH-UHFFFAOYSA-N 1 2 209.268 1.509 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1F ZINC000679190155 488315670 /nfs/dbraw/zinc/31/56/70/488315670.db2.gz JMFVWNLIQUTGIG-PSASIEDQSA-N 1 2 249.293 1.548 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@@H](F)C2)nc[nH+]1 ZINC000679192660 488315840 /nfs/dbraw/zinc/31/58/40/488315840.db2.gz OQCRAWMGULLIKK-WPRPVWTQSA-N 1 2 209.268 1.969 20 0 BDADLO O=C(CCC(F)F)NCCNc1cccc[nH+]1 ZINC000684562674 488327638 /nfs/dbraw/zinc/32/76/38/488327638.db2.gz JYKBHBGNWJBGPS-UHFFFAOYSA-N 1 2 243.257 1.655 20 0 BDADLO CC1(F)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000684592902 488329514 /nfs/dbraw/zinc/32/95/14/488329514.db2.gz PSGFMWAWRCHEDI-UHFFFAOYSA-N 1 2 207.252 1.902 20 0 BDADLO FC(F)(F)[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000684617062 488331989 /nfs/dbraw/zinc/33/19/89/488331989.db2.gz IWZNCKHZFOVXJQ-MRVPVSSYSA-N 1 2 235.209 1.173 20 0 BDADLO FC(F)(F)[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000684617062 488331992 /nfs/dbraw/zinc/33/19/92/488331992.db2.gz IWZNCKHZFOVXJQ-MRVPVSSYSA-N 1 2 235.209 1.173 20 0 BDADLO Cc1nccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000684619796 488333898 /nfs/dbraw/zinc/33/38/98/488333898.db2.gz PKDZGTZUQKVFAV-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000684619796 488333900 /nfs/dbraw/zinc/33/39/00/488333900.db2.gz PKDZGTZUQKVFAV-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000684619797 488334096 /nfs/dbraw/zinc/33/40/96/488334096.db2.gz PKDZGTZUQKVFAV-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000684619797 488334097 /nfs/dbraw/zinc/33/40/97/488334097.db2.gz PKDZGTZUQKVFAV-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO CC1=CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000684764134 488340678 /nfs/dbraw/zinc/34/06/78/488340678.db2.gz IYHNPHXHNPMDON-UHFFFAOYSA-N 1 2 241.298 1.819 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C[C@@H]1F ZINC000679358055 488344196 /nfs/dbraw/zinc/34/41/96/488344196.db2.gz FMNINLSBVSKYLC-PWSUYJOCSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C[C@@H]1F ZINC000679358055 488344198 /nfs/dbraw/zinc/34/41/98/488344198.db2.gz FMNINLSBVSKYLC-PWSUYJOCSA-N 1 2 248.305 1.909 20 0 BDADLO Cn1cc(C(=O)Nc2ccn3cc[nH+]c3c2)cn1 ZINC000684821364 488346691 /nfs/dbraw/zinc/34/66/91/488346691.db2.gz RULRWOOFRIUJPW-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000679392053 488349610 /nfs/dbraw/zinc/34/96/10/488349610.db2.gz DRISUBCPEJDLIN-UHFFFAOYSA-N 1 2 248.326 1.446 20 0 BDADLO Cc1nc(NCc2nc[nH]n2)c2c([nH+]1)CCCC2 ZINC000679836912 488367501 /nfs/dbraw/zinc/36/75/01/488367501.db2.gz AJZKGBRJBJTGRX-UHFFFAOYSA-N 1 2 244.302 1.394 20 0 BDADLO Cc1nc(NCc2nnc[nH]2)c2c([nH+]1)CCCC2 ZINC000679836912 488367503 /nfs/dbraw/zinc/36/75/03/488367503.db2.gz AJZKGBRJBJTGRX-UHFFFAOYSA-N 1 2 244.302 1.394 20 0 BDADLO Cc1nc(NCCOC[C@H]2CCCO2)cc[nH+]1 ZINC000524687690 490102345 /nfs/dbraw/zinc/10/23/45/490102345.db2.gz DCTVVDDKJIIYES-LLVKDONJSA-N 1 2 237.303 1.393 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)CO1 ZINC000668284434 490085755 /nfs/dbraw/zinc/08/57/55/490085755.db2.gz MJMSZIMJYFHFKQ-DGCLKSJQSA-N 1 2 249.358 1.829 20 0 BDADLO CC(=O)N[C@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000078230775 490157051 /nfs/dbraw/zinc/15/70/51/490157051.db2.gz YAXFYIWVERGFMM-LBPRGKRZSA-N 1 2 249.314 1.489 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000684332693 490213160 /nfs/dbraw/zinc/21/31/60/490213160.db2.gz QLNDQABYKLPORH-SECBINFHSA-N 1 2 237.278 1.016 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn(C)nn2)o1 ZINC000054861196 490234412 /nfs/dbraw/zinc/23/44/12/490234412.db2.gz ZRHHFPIISMIEGC-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO C[C@@H]1C[C@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000558592966 490280066 /nfs/dbraw/zinc/28/00/66/490280066.db2.gz MHEYVHBHPPSIAI-BDAKNGLRSA-N 1 2 228.299 1.532 20 0 BDADLO CC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000130338261 490376914 /nfs/dbraw/zinc/37/69/14/490376914.db2.gz PZQOWHPYUMXMLO-LBPRGKRZSA-N 1 2 235.331 1.922 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000125345484 490428538 /nfs/dbraw/zinc/42/85/38/490428538.db2.gz WQZKQQPRCDVXDQ-XHNCKOQMSA-N 1 2 207.277 1.633 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@H](O)C1CC1 ZINC000079770004 490463786 /nfs/dbraw/zinc/46/37/86/490463786.db2.gz MTUIIKPFWPBZJC-SNVBAGLBSA-N 1 2 212.318 1.346 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@H](O)C1CC1 ZINC000079770004 490463791 /nfs/dbraw/zinc/46/37/91/490463791.db2.gz MTUIIKPFWPBZJC-SNVBAGLBSA-N 1 2 212.318 1.346 20 0 BDADLO COC(C)(C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074028737 490474320 /nfs/dbraw/zinc/47/43/20/490474320.db2.gz FJUJONLKKBCHBA-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO CCC(C)(CC)C(=O)NCCc1c[nH+]cn1C ZINC000121408198 490477026 /nfs/dbraw/zinc/47/70/26/490477026.db2.gz JOOSZAYJIZFLQZ-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1 ZINC000074727050 490500434 /nfs/dbraw/zinc/50/04/34/490500434.db2.gz BMZYAUHDWBHXLE-UHFFFAOYSA-N 1 2 215.256 1.981 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1 ZINC000074727050 490500440 /nfs/dbraw/zinc/50/04/40/490500440.db2.gz BMZYAUHDWBHXLE-UHFFFAOYSA-N 1 2 215.256 1.981 20 0 BDADLO Cn1c(C[NH2+]Cc2ccno2)nc2ccccc21 ZINC000219394405 490567421 /nfs/dbraw/zinc/56/74/21/490567421.db2.gz MKHWVJPWCDUVNV-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](C)C1 ZINC000160590866 491078748 /nfs/dbraw/zinc/07/87/48/491078748.db2.gz IFKXJUOZICQGAD-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](C)C1 ZINC000160590866 491078750 /nfs/dbraw/zinc/07/87/50/491078750.db2.gz IFKXJUOZICQGAD-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC000660169354 491088780 /nfs/dbraw/zinc/08/87/80/491088780.db2.gz MEXZZRQMGGSPOF-VIFPVBQESA-N 1 2 226.324 1.396 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC000660169354 491088782 /nfs/dbraw/zinc/08/87/82/491088782.db2.gz MEXZZRQMGGSPOF-VIFPVBQESA-N 1 2 226.324 1.396 20 0 BDADLO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000395144557 491125394 /nfs/dbraw/zinc/12/53/94/491125394.db2.gz WEQLVUCMQFQBCY-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1csnn1 ZINC000395144557 491125395 /nfs/dbraw/zinc/12/53/95/491125395.db2.gz WEQLVUCMQFQBCY-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000085334301 491133008 /nfs/dbraw/zinc/13/30/08/491133008.db2.gz BCGUIZGPRXWFHQ-AAEUAGOBSA-N 1 2 229.283 1.158 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCc3ccc(F)cc32)n1 ZINC000134179854 491162297 /nfs/dbraw/zinc/16/22/97/491162297.db2.gz PTZRNJFWNZQMAC-GFCCVEGCSA-N 1 2 246.289 1.731 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1CCc2[nH+]ccn2C1 ZINC000891200151 582626313 /nfs/dbraw/zinc/62/63/13/582626313.db2.gz RJHONWUUGJFYJX-CITMHJQUSA-N 1 2 239.706 1.314 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493742989 533887981 /nfs/dbraw/zinc/88/79/81/533887981.db2.gz BVQCEIUCAQDXMX-PVTPVBHGSA-N 1 2 233.315 1.975 20 0 BDADLO C[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493550146 533912091 /nfs/dbraw/zinc/91/20/91/533912091.db2.gz HIPVAVBTBPQNNA-YIZUVKHSSA-N 1 2 233.315 1.927 20 0 BDADLO Cc1cc(NC[C@@H](C)N2CCCCC2=O)nc[nH+]1 ZINC000471826972 534032154 /nfs/dbraw/zinc/03/21/54/534032154.db2.gz OUKZYKLSDWJMGM-LLVKDONJSA-N 1 2 248.330 1.020 20 0 BDADLO C[C@H]1C[C@@H](CO)CCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493774633 534086176 /nfs/dbraw/zinc/08/61/76/534086176.db2.gz DIYAGZANDVAOAM-NPRAVPSUSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H]1N(C(=O)/C=C/c2[nH]cc[nH+]2)CCOC1(C)C ZINC000493608555 534117509 /nfs/dbraw/zinc/11/75/09/534117509.db2.gz FIGYXHARPFTQJE-ORAHPGNNSA-N 1 2 249.314 1.449 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335928803 535813645 /nfs/dbraw/zinc/81/36/45/535813645.db2.gz IIYWVXIRVDXHOA-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335928803 535813646 /nfs/dbraw/zinc/81/36/46/535813646.db2.gz IIYWVXIRVDXHOA-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493483973 534142591 /nfs/dbraw/zinc/14/25/91/534142591.db2.gz OUHPDYDXBJWZHT-GMCFVEKCSA-N 1 2 219.288 1.822 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccc(C(F)F)c(F)c1 ZINC000891583320 582700074 /nfs/dbraw/zinc/70/00/74/582700074.db2.gz YCXWZRMJYMJYNZ-UHFFFAOYSA-N 1 2 246.232 1.680 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccc(C(F)F)c(F)c1 ZINC000891583320 582700077 /nfs/dbraw/zinc/70/00/77/582700077.db2.gz YCXWZRMJYMJYNZ-UHFFFAOYSA-N 1 2 246.232 1.680 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000493456153 534159536 /nfs/dbraw/zinc/15/95/36/534159536.db2.gz OMRKIDMGVNHUJG-FYGOAMBHSA-N 1 2 235.287 1.107 20 0 BDADLO CC(C)CCCC[NH+]1CCS(=O)CC1 ZINC000891941123 582741931 /nfs/dbraw/zinc/74/19/31/582741931.db2.gz ZKXYBDZVNZDGMU-UHFFFAOYSA-N 1 2 217.378 1.877 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CCC1CC1)C(=O)OC ZINC000336772748 518092736 /nfs/dbraw/zinc/09/27/36/518092736.db2.gz VPYZXKAOSZLMCB-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nc(N2CCC[C@@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488417037 534435833 /nfs/dbraw/zinc/43/58/33/534435833.db2.gz RIQOYBXNHOZCIY-NXEZZACHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H](C)[C@H]2C)[nH+]1 ZINC000488417037 534435840 /nfs/dbraw/zinc/43/58/40/534435840.db2.gz RIQOYBXNHOZCIY-NXEZZACHSA-N 1 2 249.362 1.871 20 0 BDADLO O=C(/C=C\C1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492689140 534788783 /nfs/dbraw/zinc/78/87/83/534788783.db2.gz MBQCWXQCSXPPPA-BYCRGOAPSA-N 1 2 231.299 1.280 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1CCCC1 ZINC000493181250 534786020 /nfs/dbraw/zinc/78/60/20/534786020.db2.gz BVNYEOPJECNKAO-AATRIKPKSA-N 1 2 205.261 1.482 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1C[C@H]2C[C@H]2C1 ZINC000493461167 534786242 /nfs/dbraw/zinc/78/62/42/534786242.db2.gz XEOSFAPTNYMCDR-GBLHMKRDSA-N 1 2 217.272 1.338 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000493735728 534786448 /nfs/dbraw/zinc/78/64/48/534786448.db2.gz CIFMXXRUXPKHBT-NNOMMRTBSA-N 1 2 231.299 1.681 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCO[C@H]2CCC[C@H]21 ZINC000493825227 534787073 /nfs/dbraw/zinc/78/70/73/534787073.db2.gz PQIRCEQCAHQXMI-ZJRFNNFUSA-N 1 2 247.298 1.203 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCSC1 ZINC000492776209 534804955 /nfs/dbraw/zinc/80/49/55/534804955.db2.gz YZGJDSKCBBIAEJ-IYABHPQVSA-N 1 2 223.301 1.045 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(CO)c1 ZINC000493494470 534805567 /nfs/dbraw/zinc/80/55/67/534805567.db2.gz UVIVLWAMNZUTDU-PLNGDYQASA-N 1 2 243.266 1.554 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000496178724 534813966 /nfs/dbraw/zinc/81/39/66/534813966.db2.gz NPPBWHQXZZNTMX-VIFPVBQESA-N 1 2 228.267 1.015 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000496178724 534813969 /nfs/dbraw/zinc/81/39/69/534813969.db2.gz NPPBWHQXZZNTMX-VIFPVBQESA-N 1 2 228.267 1.015 20 0 BDADLO CC(C)Cn1cc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000183011940 534899375 /nfs/dbraw/zinc/89/93/75/534899375.db2.gz UIBGSBACMDLFBK-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1cc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000183011940 534899381 /nfs/dbraw/zinc/89/93/81/534899381.db2.gz UIBGSBACMDLFBK-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)c1nc(N(CCO)CC2CC2)cc[nH+]1 ZINC000343222657 534905644 /nfs/dbraw/zinc/90/56/44/534905644.db2.gz GXTJWSPQTOKVSM-UHFFFAOYSA-N 1 2 235.331 1.809 20 0 BDADLO c1ccc(-c2noc([C@@H]3CSC[NH2+]3)n2)nc1 ZINC000229003329 526459161 /nfs/dbraw/zinc/45/91/61/526459161.db2.gz VERMCZWAPMDXAT-QMMMGPOBSA-N 1 2 234.284 1.467 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@H](C(F)F)C2)c1Cl ZINC000309646193 582903811 /nfs/dbraw/zinc/90/38/11/582903811.db2.gz WCOMOYOCUXSPMI-YFKPBYRVSA-N 1 2 248.664 1.804 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@H](C(F)F)C2)c1Cl ZINC000309646193 582903814 /nfs/dbraw/zinc/90/38/14/582903814.db2.gz WCOMOYOCUXSPMI-YFKPBYRVSA-N 1 2 248.664 1.804 20 0 BDADLO C[N@H+](Cc1ccc(Cl)cn1)[C@@H]1CCNC1=O ZINC000335613416 536468765 /nfs/dbraw/zinc/46/87/65/536468765.db2.gz LNECWWGTPPVOOR-SNVBAGLBSA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)cn1)[C@@H]1CCNC1=O ZINC000335613416 536468766 /nfs/dbraw/zinc/46/87/66/536468766.db2.gz LNECWWGTPPVOOR-SNVBAGLBSA-N 1 2 239.706 1.055 20 0 BDADLO COC(C)(C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346907737 536499226 /nfs/dbraw/zinc/49/92/26/536499226.db2.gz ZEOJPNBGUOUNLV-UHFFFAOYSA-N 1 2 236.275 1.275 20 0 BDADLO CC(C)(O)[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493534107 527354561 /nfs/dbraw/zinc/35/45/61/527354561.db2.gz YQPVBPXXEOBPTB-PORFMDCZSA-N 1 2 249.314 1.185 20 0 BDADLO CC(C)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492965388 527572838 /nfs/dbraw/zinc/57/28/38/527572838.db2.gz VZNZPNUCPLHDQN-WAYWQWQTSA-N 1 2 221.304 1.974 20 0 BDADLO CC(C)C1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493875104 527598358 /nfs/dbraw/zinc/59/83/58/527598358.db2.gz YKIVDPGJTLCAJI-ONEGZZNKSA-N 1 2 233.315 1.975 20 0 BDADLO C/C=C/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492688400 527612214 /nfs/dbraw/zinc/61/22/14/527612214.db2.gz JRHSWEGBDZDMHG-OIHBSNPPSA-N 1 2 231.299 1.446 20 0 BDADLO CC(C)(C)C1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493479338 527635632 /nfs/dbraw/zinc/63/56/32/527635632.db2.gz IQUMLVNPXXODSD-SNAWJCMRSA-N 1 2 233.315 1.927 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811038 527799808 /nfs/dbraw/zinc/79/98/08/527799808.db2.gz JQXOQDNUICXZRO-PGLGOXFNSA-N 1 2 219.288 1.680 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493756660 527906773 /nfs/dbraw/zinc/90/67/73/527906773.db2.gz NCNSBEKWZKDRIF-ZYOFXKKJSA-N 1 2 237.303 1.090 20 0 BDADLO CCC[C@@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1 ZINC000493349099 527959506 /nfs/dbraw/zinc/95/95/06/527959506.db2.gz FZDPDFWMEAGBOR-ITDFMYJTSA-N 1 2 249.314 1.498 20 0 BDADLO CCC[C@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488394590 528091202 /nfs/dbraw/zinc/09/12/02/528091202.db2.gz IOXUUDMZOKPNDP-JTQLQIEISA-N 1 2 237.351 1.659 20 0 BDADLO CCC[C@H](CC)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488394590 528091208 /nfs/dbraw/zinc/09/12/08/528091208.db2.gz IOXUUDMZOKPNDP-JTQLQIEISA-N 1 2 237.351 1.659 20 0 BDADLO CC(C)c1nc(C[NH2+][C@]2(C)CCO[C@H]2C)no1 ZINC000494222841 528283182 /nfs/dbraw/zinc/28/31/82/528283182.db2.gz IULZSSXQUMKGAF-JOYOIKCWSA-N 1 2 239.319 1.850 20 0 BDADLO CCC[C@](C)(CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493198296 528452683 /nfs/dbraw/zinc/45/26/83/528452683.db2.gz ZFVSSBPDUAWZCJ-ZYOFXKKJSA-N 1 2 237.303 1.090 20 0 BDADLO CCOC=CC(=O)Nc1cc[nH+]cc1CC ZINC000493748519 528472305 /nfs/dbraw/zinc/47/23/05/528472305.db2.gz DKFGRVYDDIREGV-SOFGYWHQSA-N 1 2 220.272 1.555 20 0 BDADLO CCO/C=C\C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000492929958 528511465 /nfs/dbraw/zinc/51/14/65/528511465.db2.gz VBDXBNYZTLPVBI-LRAPTIAOSA-N 1 2 249.314 1.424 20 0 BDADLO CCO/C=C\C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000493579723 528534484 /nfs/dbraw/zinc/53/44/84/528534484.db2.gz BOVGIZVQLBAEGW-SQDVOQJBSA-N 1 2 235.287 1.555 20 0 BDADLO CCCc1cc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH][nH]1 ZINC000492814282 528563816 /nfs/dbraw/zinc/56/38/16/528563816.db2.gz UFWCAODRFCKTSF-PLNGDYQASA-N 1 2 245.286 1.159 20 0 BDADLO CCCCOCC[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495228848 528590689 /nfs/dbraw/zinc/59/06/89/528590689.db2.gz HJCRGJNTLQSTLA-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCOCC[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495228848 528590686 /nfs/dbraw/zinc/59/06/86/528590686.db2.gz HJCRGJNTLQSTLA-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCOCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862431 528646711 /nfs/dbraw/zinc/64/67/11/528646711.db2.gz KYLUIKIBODPNDW-WAYWQWQTSA-N 1 2 237.303 1.356 20 0 BDADLO CC(C)N(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000493234884 528765799 /nfs/dbraw/zinc/76/57/99/528765799.db2.gz FAEAISLYPVXRMY-PGLGOXFNSA-N 1 2 249.314 1.449 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493594833 529030364 /nfs/dbraw/zinc/03/03/64/529030364.db2.gz HPWRRCXVEQIYSL-NWALNABHSA-N 1 2 219.288 1.728 20 0 BDADLO CC1(C)COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813731 529131028 /nfs/dbraw/zinc/13/10/28/529131028.db2.gz QKLVNPKSKIKYLO-ARJAWSKDSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H]1CCN1C(=O)/C=C/c1[nH+]ccn1CC ZINC000492853615 529327692 /nfs/dbraw/zinc/32/76/92/529327692.db2.gz ONYXRMOWVONDTI-MVIFTORASA-N 1 2 233.315 1.927 20 0 BDADLO CC[C@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000493058076 529359340 /nfs/dbraw/zinc/35/93/40/529359340.db2.gz HEGWMCFXTZYYBC-BTDICHCPSA-N 1 2 237.303 1.354 20 0 BDADLO COC[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000351944809 536545175 /nfs/dbraw/zinc/54/51/75/536545175.db2.gz WVPVHTSXFKAKOW-SECBINFHSA-N 1 2 237.303 1.855 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C[C@H]2CCOC2)no1 ZINC000178344902 535378863 /nfs/dbraw/zinc/37/88/63/535378863.db2.gz VMUXANVSNCAPLV-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C[C@H]2CCOC2)no1 ZINC000178344902 535378865 /nfs/dbraw/zinc/37/88/65/535378865.db2.gz VMUXANVSNCAPLV-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO CCOCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351957575 535621153 /nfs/dbraw/zinc/62/11/53/535621153.db2.gz SMVNYBBKGPPONV-UHFFFAOYSA-N 1 2 237.303 1.856 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@H+](C)C2CC2)n1 ZINC000076719123 535737488 /nfs/dbraw/zinc/73/74/88/535737488.db2.gz MQYOISJOHKLCSB-QMMMGPOBSA-N 1 2 225.292 1.761 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@@H+](C)C2CC2)n1 ZINC000076719123 535737496 /nfs/dbraw/zinc/73/74/96/535737496.db2.gz MQYOISJOHKLCSB-QMMMGPOBSA-N 1 2 225.292 1.761 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000347868206 535742681 /nfs/dbraw/zinc/74/26/81/535742681.db2.gz ORHORLOYJWZZFN-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000347868206 535742685 /nfs/dbraw/zinc/74/26/85/535742685.db2.gz ORHORLOYJWZZFN-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@H](NC(=O)c1cncnc1)c1[nH]cc[nH+]1 ZINC000218079283 535802110 /nfs/dbraw/zinc/80/21/10/535802110.db2.gz DRPJTUTWPIDHHR-SECBINFHSA-N 1 2 231.259 1.081 20 0 BDADLO CC[C@@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180044077 535814107 /nfs/dbraw/zinc/81/41/07/535814107.db2.gz PFHYBJKRKCZKQF-GHMZBOCLSA-N 1 2 245.363 1.713 20 0 BDADLO CC[C@]1(CO)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000302346189 535950476 /nfs/dbraw/zinc/95/04/76/535950476.db2.gz AXHXLRZXCLLYHH-ZDUSSCGKSA-N 1 2 235.331 1.774 20 0 BDADLO CCc1cnc(C[NH+]2CCC(O)CC2)s1 ZINC000335991507 536033221 /nfs/dbraw/zinc/03/32/21/536033221.db2.gz IAEQKCRKLYRTTC-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000342575830 536068137 /nfs/dbraw/zinc/06/81/37/536068137.db2.gz RMHKDXZGYCBWLJ-CABZTGNLSA-N 1 2 221.304 1.473 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)C[C@H]1F ZINC000335609458 536086007 /nfs/dbraw/zinc/08/60/07/536086007.db2.gz WGVSRRKQFVATFK-ZYHUDNBSSA-N 1 2 222.263 1.753 20 0 BDADLO CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000335726979 536435404 /nfs/dbraw/zinc/43/54/04/536435404.db2.gz LZMUHESIDKWVST-UHFFFAOYSA-N 1 2 203.245 1.241 20 0 BDADLO COC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000340895473 536567407 /nfs/dbraw/zinc/56/74/07/536567407.db2.gz ZFBBVPOCKRCUEW-UHFFFAOYSA-N 1 2 221.304 1.790 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351728777 536651236 /nfs/dbraw/zinc/65/12/36/536651236.db2.gz ALUDSHBPZVODML-UTUOFQBUSA-N 1 2 243.347 1.683 20 0 BDADLO CO[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301292307 536710462 /nfs/dbraw/zinc/71/04/62/536710462.db2.gz WZMGULAMJCPXBZ-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000227771267 536739489 /nfs/dbraw/zinc/73/94/89/536739489.db2.gz BMYYLWHVJIGAHL-NXEZZACHSA-N 1 2 229.345 1.423 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](O)CCC(C)C)C1CC1 ZINC000348186049 536739987 /nfs/dbraw/zinc/73/99/87/536739987.db2.gz DJMODWVSDYKEHT-VXGBXAGGSA-N 1 2 243.347 1.325 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000342719878 536831391 /nfs/dbraw/zinc/83/13/91/536831391.db2.gz CWXBZJJKFFBPHC-JTQLQIEISA-N 1 2 237.290 1.627 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000342719878 536831394 /nfs/dbraw/zinc/83/13/94/536831394.db2.gz CWXBZJJKFFBPHC-JTQLQIEISA-N 1 2 237.290 1.627 20 0 BDADLO COCC[N@H+](CCCCF)CC(F)F ZINC000352050592 536834727 /nfs/dbraw/zinc/83/47/27/536834727.db2.gz SDWXABTUYGORBW-UHFFFAOYSA-N 1 2 213.243 1.950 20 0 BDADLO COCC[N@@H+](CCCCF)CC(F)F ZINC000352050592 536834738 /nfs/dbraw/zinc/83/47/38/536834738.db2.gz SDWXABTUYGORBW-UHFFFAOYSA-N 1 2 213.243 1.950 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CCC12CCC2 ZINC000351880579 536840005 /nfs/dbraw/zinc/84/00/05/536840005.db2.gz JKJZULZUJNEZHZ-UHFFFAOYSA-N 1 2 236.271 1.590 20 0 BDADLO CC[C@H](CCO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892648984 582938475 /nfs/dbraw/zinc/93/84/75/582938475.db2.gz IHRKVBLLMSUMSN-NXEZZACHSA-N 1 2 224.304 1.708 20 0 BDADLO CC[C@@H](COC)Nc1ccc(OC)c[nH+]1 ZINC000225836208 538114343 /nfs/dbraw/zinc/11/43/43/538114343.db2.gz NFLPTRHHYWKHQB-VIFPVBQESA-N 1 2 210.277 1.927 20 0 BDADLO O=C(Cc1ccco1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336237441 566408226 /nfs/dbraw/zinc/40/82/26/566408226.db2.gz LESFXDJWNHJGMN-VIFPVBQESA-N 1 2 245.282 1.219 20 0 BDADLO O=C(Cc1ccco1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336237441 566408232 /nfs/dbraw/zinc/40/82/32/566408232.db2.gz LESFXDJWNHJGMN-VIFPVBQESA-N 1 2 245.282 1.219 20 0 BDADLO CSC(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856278991 583118504 /nfs/dbraw/zinc/11/85/04/583118504.db2.gz AVJJAIKRRQNVLS-MRVPVSSYSA-N 1 2 241.360 1.739 20 0 BDADLO CO[C@H](C)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893396936 583135543 /nfs/dbraw/zinc/13/55/43/583135543.db2.gz MXCVQKATRNLFGJ-RKDXNWHRSA-N 1 2 210.277 1.582 20 0 BDADLO CN(C)c1cc(N2CC[C@H](C(F)F)C2)nc[nH+]1 ZINC000893683146 583198676 /nfs/dbraw/zinc/19/86/76/583198676.db2.gz ZWFWNTUYFMFZBQ-QMMMGPOBSA-N 1 2 242.273 1.634 20 0 BDADLO CN(C)c1cc(N2CC[C@H](C(F)F)C2)[nH+]cn1 ZINC000893683146 583198679 /nfs/dbraw/zinc/19/86/79/583198679.db2.gz ZWFWNTUYFMFZBQ-QMMMGPOBSA-N 1 2 242.273 1.634 20 0 BDADLO CN(C)c1cc(NCCC2(O)CCC2)nc[nH+]1 ZINC000893745513 583216927 /nfs/dbraw/zinc/21/69/27/583216927.db2.gz WQATXAFPZRTHRH-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO Cc1[nH]nc(C[NH+]2CCC(CCO)CC2)c1C ZINC000893920576 583248254 /nfs/dbraw/zinc/24/82/54/583248254.db2.gz CSWCJDOYMZNLAE-UHFFFAOYSA-N 1 2 237.347 1.621 20 0 BDADLO COC(=O)C[N@H+](Cc1cc(C)co1)C(C)C ZINC000893957132 583261148 /nfs/dbraw/zinc/26/11/48/583261148.db2.gz BKUYRMGWAMDLKF-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C[N@@H+](Cc1cc(C)co1)C(C)C ZINC000893957132 583261149 /nfs/dbraw/zinc/26/11/49/583261149.db2.gz BKUYRMGWAMDLKF-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO CO[C@H](CNc1cc(N(C)C)nc[nH+]1)C1CC1 ZINC000893989498 583270571 /nfs/dbraw/zinc/27/05/71/583270571.db2.gz XJSOVFHGOCQGQQ-SNVBAGLBSA-N 1 2 236.319 1.380 20 0 BDADLO CO[C@H](CNc1cc(N(C)C)[nH+]cn1)C1CC1 ZINC000893989498 583270572 /nfs/dbraw/zinc/27/05/72/583270572.db2.gz XJSOVFHGOCQGQQ-SNVBAGLBSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@H](C)CCO)[nH+]1 ZINC000894015311 583276356 /nfs/dbraw/zinc/27/63/56/583276356.db2.gz GYLSGLKXICJBIE-WDEREUQCSA-N 1 2 238.331 1.955 20 0 BDADLO CC(C)[C@H]1CCN(C[N@@H+]2CCCOCC2)C1=O ZINC000853492818 588746103 /nfs/dbraw/zinc/74/61/03/588746103.db2.gz BWNAASWUBNEWMF-GFCCVEGCSA-N 1 2 240.347 1.171 20 0 BDADLO CC(C)[C@H]1CCN(C[N@H+]2CCCOCC2)C1=O ZINC000853492818 588746104 /nfs/dbraw/zinc/74/61/04/588746104.db2.gz BWNAASWUBNEWMF-GFCCVEGCSA-N 1 2 240.347 1.171 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cnc(F)cn1 ZINC000853458226 588744114 /nfs/dbraw/zinc/74/41/14/588744114.db2.gz RUCXVDIMHUOWOR-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO CC[C@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853489263 588745550 /nfs/dbraw/zinc/74/55/50/588745550.db2.gz LVWCHBCKVXSQJM-JTQLQIEISA-N 1 2 225.292 1.224 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853489263 588745551 /nfs/dbraw/zinc/74/55/51/588745551.db2.gz LVWCHBCKVXSQJM-JTQLQIEISA-N 1 2 225.292 1.224 20 0 BDADLO CC[N@H+](Cn1nc(C)oc1=O)C1CCCC1 ZINC000853491641 588745771 /nfs/dbraw/zinc/74/57/71/588745771.db2.gz WYTYNVVSMJRHAG-UHFFFAOYSA-N 1 2 225.292 1.367 20 0 BDADLO CC[N@@H+](Cn1nc(C)oc1=O)C1CCCC1 ZINC000853491641 588745772 /nfs/dbraw/zinc/74/57/72/588745772.db2.gz WYTYNVVSMJRHAG-UHFFFAOYSA-N 1 2 225.292 1.367 20 0 BDADLO CC[C@@H](CSC)[N@H+](C)Cn1nc(C)oc1=O ZINC000853505032 588746845 /nfs/dbraw/zinc/74/68/45/588746845.db2.gz HHPMPAHRDOQPMW-VIFPVBQESA-N 1 2 245.348 1.176 20 0 BDADLO CC[C@@H](CSC)[N@@H+](C)Cn1nc(C)oc1=O ZINC000853505032 588746846 /nfs/dbraw/zinc/74/68/46/588746846.db2.gz HHPMPAHRDOQPMW-VIFPVBQESA-N 1 2 245.348 1.176 20 0 BDADLO C[C@@]1(C2CC2)C[N@H+](CN2CCCC2=O)CCO1 ZINC000853529510 588747732 /nfs/dbraw/zinc/74/77/32/588747732.db2.gz YCXWACBAVAXDBW-ZDUSSCGKSA-N 1 2 238.331 1.067 20 0 BDADLO C[C@@]1(C2CC2)C[N@@H+](CN2CCCC2=O)CCO1 ZINC000853529510 588747733 /nfs/dbraw/zinc/74/77/33/588747733.db2.gz YCXWACBAVAXDBW-ZDUSSCGKSA-N 1 2 238.331 1.067 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@@H](OC)C1CCC1 ZINC000853674237 588754791 /nfs/dbraw/zinc/75/47/91/588754791.db2.gz UTAWOJFODREPFJ-PSASIEDQSA-N 1 2 230.308 1.335 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@H]1COC(C)(C)C1 ZINC000853674124 588754831 /nfs/dbraw/zinc/75/48/31/588754831.db2.gz SCGFREAAERWIFV-JGVFFNPUSA-N 1 2 216.281 1.087 20 0 BDADLO NC(=[NH+]OCc1cncs1)[C@H]1CCCO1 ZINC000853696717 588757402 /nfs/dbraw/zinc/75/74/02/588757402.db2.gz AJSAZYKPNDNIQW-MRVPVSSYSA-N 1 2 227.289 1.321 20 0 BDADLO CO[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)C1CCC1 ZINC000853699102 588757716 /nfs/dbraw/zinc/75/77/16/588757716.db2.gz WWCFZABXTWWYOF-WDEREUQCSA-N 1 2 242.319 1.479 20 0 BDADLO Cc1ccnc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000853742583 588760794 /nfs/dbraw/zinc/76/07/94/588760794.db2.gz BIEWTMBTPQEGHK-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1ccnc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000853742583 588760795 /nfs/dbraw/zinc/76/07/95/588760795.db2.gz BIEWTMBTPQEGHK-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO CCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742793 588760944 /nfs/dbraw/zinc/76/09/44/588760944.db2.gz XEKDFTHEOQSZTL-UHFFFAOYSA-N 1 2 216.281 1.090 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H]2[C@H](C)O)cc[nH+]1 ZINC000853862086 588766472 /nfs/dbraw/zinc/76/64/72/588766472.db2.gz LQMQYTRJZYTISV-WDEREUQCSA-N 1 2 235.331 1.950 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)NCc1c[nH+]cn1C ZINC000854066799 588772751 /nfs/dbraw/zinc/77/27/51/588772751.db2.gz FUTJTLNXILUKGB-SNVBAGLBSA-N 1 2 238.335 1.750 20 0 BDADLO CC[NH+]1CCN(C(=O)C(F)(F)CC)CC1 ZINC000854121080 588775421 /nfs/dbraw/zinc/77/54/21/588775421.db2.gz DKGVSBVYRHHZGM-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO Cn1c[nH+]cc1-c1cnn([C@@H]2CCCCO2)c1 ZINC000854207046 588779321 /nfs/dbraw/zinc/77/93/21/588779321.db2.gz FFOPMUSVHCUDJW-LBPRGKRZSA-N 1 2 232.287 1.983 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccsc1 ZINC000854367917 588785277 /nfs/dbraw/zinc/78/52/77/588785277.db2.gz IXHDADMRFJUEBD-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO CON(CC(C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854429311 588786662 /nfs/dbraw/zinc/78/66/62/588786662.db2.gz UTJKWSHBCXKQIC-UHFFFAOYSA-N 1 2 225.292 1.388 20 0 BDADLO CCO/C=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595185 588796366 /nfs/dbraw/zinc/79/63/66/588796366.db2.gz VGFGIRRCRDWHOX-RXLGXGPVSA-N 1 2 209.249 1.137 20 0 BDADLO CCOC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595185 588796367 /nfs/dbraw/zinc/79/63/67/588796367.db2.gz VGFGIRRCRDWHOX-RXLGXGPVSA-N 1 2 209.249 1.137 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1CC(F)(F)C1 ZINC000854594095 588796378 /nfs/dbraw/zinc/79/63/78/588796378.db2.gz IUDTWDDWLBKFEY-UHFFFAOYSA-N 1 2 229.230 1.114 20 0 BDADLO C[C@@H](NC(=O)/C=C\[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594222 588796395 /nfs/dbraw/zinc/79/63/95/588796395.db2.gz HMWVVNVDPPZOKO-LTFJCZIQSA-N 1 2 235.287 1.180 20 0 BDADLO C[C@@H](NC(=O)C=C[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594222 588796396 /nfs/dbraw/zinc/79/63/96/588796396.db2.gz HMWVVNVDPPZOKO-LTFJCZIQSA-N 1 2 235.287 1.180 20 0 BDADLO COC1(CCNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000854656451 588799589 /nfs/dbraw/zinc/79/95/89/588799589.db2.gz BIKOLUKYNPMXHE-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@]1(F)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854681066 588799998 /nfs/dbraw/zinc/79/99/98/588799998.db2.gz WLGDLGWKPNFJNX-NSHDSACASA-N 1 2 225.267 1.303 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC2(CC2)C1 ZINC000854685289 588801146 /nfs/dbraw/zinc/80/11/46/588801146.db2.gz FPWZHPKICMGUMC-JTQLQIEISA-N 1 2 231.299 1.068 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CC2)C1 ZINC000854686556 588801445 /nfs/dbraw/zinc/80/14/45/588801445.db2.gz YFNQQSSRKQUELD-SECBINFHSA-N 1 2 231.299 1.137 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CC2)C1 ZINC000854686556 588801446 /nfs/dbraw/zinc/80/14/46/588801446.db2.gz YFNQQSSRKQUELD-SECBINFHSA-N 1 2 231.299 1.137 20 0 BDADLO CO[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000854912953 588816650 /nfs/dbraw/zinc/81/66/50/588816650.db2.gz KVUZKKSGGWBEGJ-NXEZZACHSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C2CCC2)C1 ZINC000854951029 588818490 /nfs/dbraw/zinc/81/84/90/588818490.db2.gz YUVPASLMJGJKAW-LLVKDONJSA-N 1 2 233.315 1.601 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCn1cccn1 ZINC000855134694 588822591 /nfs/dbraw/zinc/82/25/91/588822591.db2.gz XDESGGAOCLPSNK-UHFFFAOYSA-N 1 2 247.302 1.045 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCn1cccn1 ZINC000855134694 588822592 /nfs/dbraw/zinc/82/25/92/588822592.db2.gz XDESGGAOCLPSNK-UHFFFAOYSA-N 1 2 247.302 1.045 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\C1CCOCC1 ZINC000855134633 588822696 /nfs/dbraw/zinc/82/26/96/588822696.db2.gz VADQGZQQEWFTMM-IHWYPQMZSA-N 1 2 249.314 1.351 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\C1CCOCC1 ZINC000855134633 588822697 /nfs/dbraw/zinc/82/26/97/588822697.db2.gz VADQGZQQEWFTMM-IHWYPQMZSA-N 1 2 249.314 1.351 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\[C@@H]1CCCO1 ZINC000855135264 588823504 /nfs/dbraw/zinc/82/35/04/588823504.db2.gz IQYUYXWDXWVMMV-WYGGZMRJSA-N 1 2 235.287 1.103 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\[C@@H]1CCCO1 ZINC000855135264 588823505 /nfs/dbraw/zinc/82/35/05/588823505.db2.gz IQYUYXWDXWVMMV-WYGGZMRJSA-N 1 2 235.287 1.103 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC1(C)C ZINC000855136716 588823530 /nfs/dbraw/zinc/82/35/30/588823530.db2.gz RNKCFDSZKPGNRO-VIFPVBQESA-N 1 2 207.277 1.414 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC1(C)C ZINC000855136716 588823531 /nfs/dbraw/zinc/82/35/31/588823531.db2.gz RNKCFDSZKPGNRO-VIFPVBQESA-N 1 2 207.277 1.414 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)CC(C)(C)O1 ZINC000113242339 588828038 /nfs/dbraw/zinc/82/80/38/588828038.db2.gz ODSRZMQIGILECR-SNVBAGLBSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)CC(C)(C)O1 ZINC000113242339 588828039 /nfs/dbraw/zinc/82/80/39/588828039.db2.gz ODSRZMQIGILECR-SNVBAGLBSA-N 1 2 226.320 1.066 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cnn(C)n2)c(C)n1 ZINC000806166998 582513960 /nfs/dbraw/zinc/51/39/60/582513960.db2.gz FUUWYUKGLFMAJR-QMMMGPOBSA-N 1 2 246.318 1.073 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@H]1C=CCC1 ZINC000855426483 588833702 /nfs/dbraw/zinc/83/37/02/588833702.db2.gz SKPUMQZYUDPWFP-NSHDSACASA-N 1 2 219.288 1.498 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000890764670 582542035 /nfs/dbraw/zinc/54/20/35/582542035.db2.gz YBOAGNCQTNGLQV-FZJVHEGESA-N 1 2 245.326 1.904 20 0 BDADLO Cc1cncc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291210070 582579605 /nfs/dbraw/zinc/57/96/05/582579605.db2.gz LYSVJBOMLLWZMW-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)CCF ZINC000890849053 582580605 /nfs/dbraw/zinc/58/06/05/582580605.db2.gz FXDWPLOMRRLACT-UHFFFAOYSA-N 1 2 235.262 1.619 20 0 BDADLO C[C@@H]1COC2(CCC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000855520488 588838389 /nfs/dbraw/zinc/83/83/89/588838389.db2.gz FTCUYYZEIRQGGL-SNVBAGLBSA-N 1 2 249.314 1.122 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)nn2C)[C@H](C)CO1 ZINC000846044222 582644081 /nfs/dbraw/zinc/64/40/81/582644081.db2.gz GFFHCGLNGZEPNT-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)nn2C)[C@H](C)CO1 ZINC000846044222 582644083 /nfs/dbraw/zinc/64/40/83/582644083.db2.gz GFFHCGLNGZEPNT-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H](C)CC(C)C ZINC000846090523 582644502 /nfs/dbraw/zinc/64/45/02/582644502.db2.gz BXFRTXDOLQTOKA-JTQLQIEISA-N 1 2 216.325 1.326 20 0 BDADLO c1cc2c(c(C[NH+]3CCOCC3)c1)OCC2 ZINC000891392037 582676833 /nfs/dbraw/zinc/67/68/33/582676833.db2.gz XFSOOYBFJMUMKL-UHFFFAOYSA-N 1 2 219.284 1.454 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(OC)o1 ZINC000891400871 582677977 /nfs/dbraw/zinc/67/79/77/582677977.db2.gz VKMDDJUZURQFBD-UHFFFAOYSA-N 1 2 241.287 1.673 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(OC)o1 ZINC000891400871 582677978 /nfs/dbraw/zinc/67/79/78/582677978.db2.gz VKMDDJUZURQFBD-UHFFFAOYSA-N 1 2 241.287 1.673 20 0 BDADLO CCc1cc(NCCn2cc[nH+]c2)nc(CC)n1 ZINC000891515164 582694408 /nfs/dbraw/zinc/69/44/08/582694408.db2.gz AJSNUKGAIJUFPM-UHFFFAOYSA-N 1 2 245.330 1.910 20 0 BDADLO CCc1cc(NCCn2ccnc2)nc(CC)[nH+]1 ZINC000891515164 582694410 /nfs/dbraw/zinc/69/44/10/582694410.db2.gz AJSNUKGAIJUFPM-UHFFFAOYSA-N 1 2 245.330 1.910 20 0 BDADLO CCCNC(=O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000891558952 582696534 /nfs/dbraw/zinc/69/65/34/582696534.db2.gz YYVZIIPURYXGAK-VIFPVBQESA-N 1 2 237.303 1.073 20 0 BDADLO C[N@@H+](Cc1nccn1C1CC1)C[C@H]1CCCO1 ZINC000891582194 582698992 /nfs/dbraw/zinc/69/89/92/582698992.db2.gz OTQFETHPIZSUPA-GFCCVEGCSA-N 1 2 235.331 1.829 20 0 BDADLO C[N@H+](Cc1nccn1C1CC1)C[C@H]1CCCO1 ZINC000891582194 582698993 /nfs/dbraw/zinc/69/89/93/582698993.db2.gz OTQFETHPIZSUPA-GFCCVEGCSA-N 1 2 235.331 1.829 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccn2ccnc12 ZINC000891784116 582720921 /nfs/dbraw/zinc/72/09/21/582720921.db2.gz SKBQYXGDHYUZNV-JTQLQIEISA-N 1 2 242.286 1.426 20 0 BDADLO C[N@H+](Cc1nccn1C1CC1)[C@@H]1CCOC1 ZINC000891936586 582740510 /nfs/dbraw/zinc/74/05/10/582740510.db2.gz XXYVMKMHCLFQMM-LLVKDONJSA-N 1 2 221.304 1.439 20 0 BDADLO C[N@@H+](Cc1nccn1C1CC1)[C@@H]1CCOC1 ZINC000891936586 582740512 /nfs/dbraw/zinc/74/05/12/582740512.db2.gz XXYVMKMHCLFQMM-LLVKDONJSA-N 1 2 221.304 1.439 20 0 BDADLO CN(C[C@@H]1CCCCO1)c1nccn2c[nH+]cc12 ZINC000891955396 582745618 /nfs/dbraw/zinc/74/56/18/582745618.db2.gz HWHHULSJCANIPX-NSHDSACASA-N 1 2 246.314 1.735 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc2c1OCC2 ZINC000892011512 582760965 /nfs/dbraw/zinc/76/09/65/582760965.db2.gz ABMXDPBXFDKQFZ-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc2c1OCC2 ZINC000892011512 582760969 /nfs/dbraw/zinc/76/09/69/582760969.db2.gz ABMXDPBXFDKQFZ-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO CCCCOCCNc1cc(N(C)C)nc[nH+]1 ZINC000892074623 582785988 /nfs/dbraw/zinc/78/59/88/582785988.db2.gz AAMQQAPFQLLZNB-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCCCOCCNc1cc(N(C)C)[nH+]cn1 ZINC000892074623 582785990 /nfs/dbraw/zinc/78/59/90/582785990.db2.gz AAMQQAPFQLLZNB-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cncs1 ZINC000889510665 582796703 /nfs/dbraw/zinc/79/67/03/582796703.db2.gz IEIOHPWXYKTFHG-ZETCQYMHSA-N 1 2 236.300 1.286 20 0 BDADLO CCOCC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000277598648 582816792 /nfs/dbraw/zinc/81/67/92/582816792.db2.gz WMIYXGTVGOXZIE-LLVKDONJSA-N 1 2 244.360 1.362 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000277598648 582816793 /nfs/dbraw/zinc/81/67/93/582816793.db2.gz WMIYXGTVGOXZIE-LLVKDONJSA-N 1 2 244.360 1.362 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC1)c1[nH+]ccn1C ZINC000661112365 582827791 /nfs/dbraw/zinc/82/77/91/582827791.db2.gz MVLNBDGEHUVQMU-DVVUODLYSA-N 1 2 248.330 1.579 20 0 BDADLO CCC[C@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892501607 582898907 /nfs/dbraw/zinc/89/89/07/582898907.db2.gz DIZVYNNMQPJORS-ZJUUUORDSA-N 1 2 224.304 1.708 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892502516 582899534 /nfs/dbraw/zinc/89/95/34/582899534.db2.gz SCGLKLOQQWFJHW-JBLDHEPKSA-N 1 2 238.331 1.954 20 0 BDADLO Cc1cc(F)ncc1C[NH2+]Cc1cc[nH]n1 ZINC000892515663 582904781 /nfs/dbraw/zinc/90/47/81/582904781.db2.gz WQIFLOIMSHYTJG-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Nc1cc(COC(=O)C2CC3(CC3)C2)cc[nH+]1 ZINC000850214865 582907498 /nfs/dbraw/zinc/90/74/98/582907498.db2.gz IGEJMNMLNDCVDQ-UHFFFAOYSA-N 1 2 232.283 1.897 20 0 BDADLO CCc1cc(N[C@@H](C)CCO)nc(CC)[nH+]1 ZINC000892616467 582930996 /nfs/dbraw/zinc/93/09/96/582930996.db2.gz NDTKMXASTGIACH-VIFPVBQESA-N 1 2 223.320 1.784 20 0 BDADLO CCOC(=O)CN(Cc1cn(C)c[nH+]1)C(C)C ZINC000851745298 582965813 /nfs/dbraw/zinc/96/58/13/582965813.db2.gz YZIJHMGPRIATAX-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO C[C@H](NC(=O)C=C1CCC1)c1[nH+]ccn1C ZINC000856277621 588866578 /nfs/dbraw/zinc/86/65/78/588866578.db2.gz NEEVWJQAOZADKK-VIFPVBQESA-N 1 2 219.288 1.708 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000851866457 582973147 /nfs/dbraw/zinc/97/31/47/582973147.db2.gz PNUBDVQCEXWIDZ-ZJUUUORDSA-N 1 2 238.335 1.396 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000851866457 582973148 /nfs/dbraw/zinc/97/31/48/582973148.db2.gz PNUBDVQCEXWIDZ-ZJUUUORDSA-N 1 2 238.335 1.396 20 0 BDADLO CCC/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856276906 588866668 /nfs/dbraw/zinc/86/66/68/588866668.db2.gz UAQRBLSSHWBAQI-FGEFZZPRSA-N 1 2 221.304 1.954 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856280938 588867071 /nfs/dbraw/zinc/86/70/71/588867071.db2.gz KGLOPUPXUQKVPR-DDXVTDLHSA-N 1 2 221.304 1.954 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(NCc3cn[nH]n3)c12 ZINC000892786480 582982558 /nfs/dbraw/zinc/98/25/58/582982558.db2.gz FCRYWADSQKYOCP-UHFFFAOYSA-N 1 2 243.274 1.251 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(NCc3c[nH]nn3)c12 ZINC000892786480 582982560 /nfs/dbraw/zinc/98/25/60/582982560.db2.gz FCRYWADSQKYOCP-UHFFFAOYSA-N 1 2 243.274 1.251 20 0 BDADLO OCCCCN(c1nccn2c[nH+]cc12)C1CC1 ZINC000892792514 582983765 /nfs/dbraw/zinc/98/37/65/582983765.db2.gz HLFYRWLOCJFSEF-UHFFFAOYSA-N 1 2 246.314 1.471 20 0 BDADLO C[C@@H]1COCCN(c2nccn3c[nH+]cc23)C1 ZINC000892972307 583023126 /nfs/dbraw/zinc/02/31/26/583023126.db2.gz IYVKVQBPTFNTQC-JTQLQIEISA-N 1 2 232.287 1.202 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cocn2)o1 ZINC000892976865 583023784 /nfs/dbraw/zinc/02/37/84/583023784.db2.gz JBNDOBVRTJQXOY-UHFFFAOYSA-N 1 2 222.244 1.956 20 0 BDADLO CCc1cc(N2C[C@H](C)[C@H](O)C2)nc(CC)[nH+]1 ZINC000893080914 583045030 /nfs/dbraw/zinc/04/50/30/583045030.db2.gz VDBQHCHNMJMEGP-GXSJLCMTSA-N 1 2 235.331 1.418 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)CCO1 ZINC000893087611 583046896 /nfs/dbraw/zinc/04/68/96/583046896.db2.gz DNZWZPNMZDAFBG-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)CCO1 ZINC000893087611 583046898 /nfs/dbraw/zinc/04/68/98/583046898.db2.gz DNZWZPNMZDAFBG-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO COC[C@H](CNc1cccc([C@@H](C)O)[nH+]1)OC ZINC000893117656 583051407 /nfs/dbraw/zinc/05/14/07/583051407.db2.gz XLCICBKFYBAIIA-ZJUUUORDSA-N 1 2 240.303 1.208 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)ccn1 ZINC000856744857 588875682 /nfs/dbraw/zinc/87/56/82/588875682.db2.gz WOQMNPNVWKCQOO-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)ccn1 ZINC000856744857 588875683 /nfs/dbraw/zinc/87/56/83/588875683.db2.gz WOQMNPNVWKCQOO-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(F)F)C2)ccn1 ZINC000856741482 588875842 /nfs/dbraw/zinc/87/58/42/588875842.db2.gz PBBSJIIIGCPKJF-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(F)F)C2)ccn1 ZINC000856741482 588875843 /nfs/dbraw/zinc/87/58/43/588875843.db2.gz PBBSJIIIGCPKJF-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO O=C(NOC1CCCC1)c1ccc2[nH+]ccn2c1 ZINC000775280301 583084566 /nfs/dbraw/zinc/08/45/66/583084566.db2.gz QOESNAAAEYENRV-UHFFFAOYSA-N 1 2 245.282 1.938 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(CC3CC3)C2)n1 ZINC000857066577 583132169 /nfs/dbraw/zinc/13/21/69/583132169.db2.gz OFGPBKIWMDTBHA-UHFFFAOYSA-N 1 2 234.347 1.838 20 0 BDADLO CN(C)c1cc(NCCOCC(F)F)[nH+]cn1 ZINC000893427276 583141191 /nfs/dbraw/zinc/14/11/91/583141191.db2.gz XRDQJPGCYMRTLB-UHFFFAOYSA-N 1 2 246.261 1.236 20 0 BDADLO CN(C)c1cc(NCCOCC(F)F)nc[nH+]1 ZINC000893427276 583141193 /nfs/dbraw/zinc/14/11/93/583141193.db2.gz XRDQJPGCYMRTLB-UHFFFAOYSA-N 1 2 246.261 1.236 20 0 BDADLO CC(C)c1c[nH]nc1NC(=O)C=Cc1[nH]cc[nH+]1 ZINC000493866398 583150620 /nfs/dbraw/zinc/15/06/20/583150620.db2.gz CFARLTAGGGYIIL-ONEGZZNKSA-N 1 2 245.286 1.908 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCC2(C)CCC2)c1 ZINC000893482573 583152184 /nfs/dbraw/zinc/15/21/84/583152184.db2.gz NXKRUZJUXPERJX-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO C[C@@H](O)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000893562135 583164198 /nfs/dbraw/zinc/16/41/98/583164198.db2.gz PJOCGAFBKCMNAR-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO C[C@@H](O)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000893562135 583164199 /nfs/dbraw/zinc/16/41/99/583164199.db2.gz PJOCGAFBKCMNAR-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H](O)C2)c(Cl)n1 ZINC000857011966 588881745 /nfs/dbraw/zinc/88/17/45/588881745.db2.gz QSLQLYJGXCXWGY-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H](O)C2)c(Cl)n1 ZINC000857011966 588881746 /nfs/dbraw/zinc/88/17/46/588881746.db2.gz QSLQLYJGXCXWGY-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO CN(C)c1cc(NCCC2(O)CCC2)[nH+]cn1 ZINC000893745513 583216925 /nfs/dbraw/zinc/21/69/25/583216925.db2.gz WQATXAFPZRTHRH-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCC2=CCCC2)c1 ZINC000893817458 583227172 /nfs/dbraw/zinc/22/71/72/583227172.db2.gz IMELSVQJDFZHLP-UHFFFAOYSA-N 1 2 248.330 1.720 20 0 BDADLO C[C@@H]1CSC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893825456 583229588 /nfs/dbraw/zinc/22/95/88/583229588.db2.gz FFCXLHRHTCLELG-RKDXNWHRSA-N 1 2 238.360 1.706 20 0 BDADLO C[C@@H]1CSC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893825456 583229592 /nfs/dbraw/zinc/22/95/92/583229592.db2.gz FFCXLHRHTCLELG-RKDXNWHRSA-N 1 2 238.360 1.706 20 0 BDADLO CC(C)[C@@H](CO)CNc1cc(N(C)C)nc[nH+]1 ZINC000893859945 583233266 /nfs/dbraw/zinc/23/32/66/583233266.db2.gz OHWOVUZDDXFFJU-SNVBAGLBSA-N 1 2 238.335 1.219 20 0 BDADLO CC(C)[C@@H](CO)CNc1cc(N(C)C)[nH+]cn1 ZINC000893859945 583233267 /nfs/dbraw/zinc/23/32/67/583233267.db2.gz OHWOVUZDDXFFJU-SNVBAGLBSA-N 1 2 238.335 1.219 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CCCOC2)[nH+]1 ZINC000893877142 583240167 /nfs/dbraw/zinc/24/01/67/583240167.db2.gz VDGKQEHUYYOYKG-ZJUUUORDSA-N 1 2 222.288 1.726 20 0 BDADLO CCc1cc(N2Cc3c[nH]nc3C2)nc(CC)[nH+]1 ZINC000893944286 583256035 /nfs/dbraw/zinc/25/60/35/583256035.db2.gz XZEOSDXXGDTUEF-UHFFFAOYSA-N 1 2 243.314 1.845 20 0 BDADLO CCc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc(CC)[nH+]1 ZINC000893948795 583259630 /nfs/dbraw/zinc/25/96/30/583259630.db2.gz GNKCBSBJGFMQBD-GDNZZTSVSA-N 1 2 247.342 1.276 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1ocnc1C ZINC000893969322 583263966 /nfs/dbraw/zinc/26/39/66/583263966.db2.gz KZBGHKUNAZQFMI-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1ocnc1C ZINC000893969322 583263968 /nfs/dbraw/zinc/26/39/68/583263968.db2.gz KZBGHKUNAZQFMI-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cc[nH]c(=O)c2)n1 ZINC000893972339 583264843 /nfs/dbraw/zinc/26/48/43/583264843.db2.gz JRTWLASDXUMUCE-SSDOTTSWSA-N 1 2 234.259 1.329 20 0 BDADLO Cc1cc[nH+]c(N)c1CN(C)Cc1cnccn1 ZINC000893978581 583266175 /nfs/dbraw/zinc/26/61/75/583266175.db2.gz SYYFGLUWWHGITB-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C/C=C\c1cccc(F)c1 ZINC000893983387 583268740 /nfs/dbraw/zinc/26/87/40/583268740.db2.gz BFVZMUQMBZJOHP-MZBZXASESA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1cccc(F)c1 ZINC000893983387 583268742 /nfs/dbraw/zinc/26/87/42/583268742.db2.gz BFVZMUQMBZJOHP-MZBZXASESA-N 1 2 248.301 1.659 20 0 BDADLO CCc1cc(N2CCC[C@H](O)CC2)nc(CC)[nH+]1 ZINC000894001011 583271034 /nfs/dbraw/zinc/27/10/34/583271034.db2.gz MNIARLUESYNFAM-LBPRGKRZSA-N 1 2 249.358 1.953 20 0 BDADLO C[C@@H](CCO)CCNc1cc(N(C)C)nc[nH+]1 ZINC000894015528 583275468 /nfs/dbraw/zinc/27/54/68/583275468.db2.gz ONUXBJVNJQHKNQ-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO C[C@@H](CCO)CCNc1cc(N(C)C)[nH+]cn1 ZINC000894015528 583275469 /nfs/dbraw/zinc/27/54/69/583275469.db2.gz ONUXBJVNJQHKNQ-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO CNc1cc(NCc2nnc(C(C)C)[nH]2)nc[nH+]1 ZINC000894030702 583277619 /nfs/dbraw/zinc/27/76/19/583277619.db2.gz XTFFQTMGQZHVMX-UHFFFAOYSA-N 1 2 247.306 1.372 20 0 BDADLO CNc1cc(NCc2nnc(C(C)C)[nH]2)[nH+]cn1 ZINC000894030702 583277620 /nfs/dbraw/zinc/27/76/20/583277620.db2.gz XTFFQTMGQZHVMX-UHFFFAOYSA-N 1 2 247.306 1.372 20 0 BDADLO CN(C)c1cc(N[C@H]2CCOC2(C)C)[nH+]cn1 ZINC000894034951 583278022 /nfs/dbraw/zinc/27/80/22/583278022.db2.gz RKEMWAPXMAYMGH-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(N[C@H]2CCOC2(C)C)nc[nH+]1 ZINC000894034951 583278023 /nfs/dbraw/zinc/27/80/23/583278023.db2.gz RKEMWAPXMAYMGH-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000894035076 583278504 /nfs/dbraw/zinc/27/85/04/583278504.db2.gz YBMUYVFNZBVZJV-SNVBAGLBSA-N 1 2 225.336 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000894035076 583278507 /nfs/dbraw/zinc/27/85/07/583278507.db2.gz YBMUYVFNZBVZJV-SNVBAGLBSA-N 1 2 225.336 1.736 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(C)co2)C1 ZINC000894084257 583294960 /nfs/dbraw/zinc/29/49/60/583294960.db2.gz IWXYRYSGLZSFAS-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(C)co2)C1 ZINC000894084257 583294963 /nfs/dbraw/zinc/29/49/63/583294963.db2.gz IWXYRYSGLZSFAS-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)co1 ZINC000894087364 583298784 /nfs/dbraw/zinc/29/87/84/583298784.db2.gz YDUAXNSUJFNJGS-LBPRGKRZSA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)co1 ZINC000894087364 583298785 /nfs/dbraw/zinc/29/87/85/583298785.db2.gz YDUAXNSUJFNJGS-LBPRGKRZSA-N 1 2 236.315 1.689 20 0 BDADLO CC[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C(=O)NC ZINC000894128193 583312320 /nfs/dbraw/zinc/31/23/20/583312320.db2.gz QMYFIUMQBDCKKO-DTWKUNHWSA-N 1 2 237.303 1.071 20 0 BDADLO Nc1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000894169073 583325042 /nfs/dbraw/zinc/32/50/42/583325042.db2.gz YTWZSYFEFWJVJQ-UTLUCORTSA-N 1 2 245.330 1.932 20 0 BDADLO Nc1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]c(C2CC2)n1 ZINC000894169073 583325045 /nfs/dbraw/zinc/32/50/45/583325045.db2.gz YTWZSYFEFWJVJQ-UTLUCORTSA-N 1 2 245.330 1.932 20 0 BDADLO C[C@@H](O)c1cccc(N2CCO[C@@H](CF)C2)[nH+]1 ZINC000894181210 583331145 /nfs/dbraw/zinc/33/11/45/583331145.db2.gz JXAWONJYHMMEMT-ZJUUUORDSA-N 1 2 240.278 1.310 20 0 BDADLO CCCOc1ncccc1C[NH2+]Cc1cnc[nH]1 ZINC000894207517 583352520 /nfs/dbraw/zinc/35/25/20/583352520.db2.gz YKTFXSLUBDPVBL-UHFFFAOYSA-N 1 2 246.314 1.883 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\c1ccco1 ZINC000726430795 583354832 /nfs/dbraw/zinc/35/48/32/583354832.db2.gz YQWASXDEIVMGHL-WAYWQWQTSA-N 1 2 245.282 1.685 20 0 BDADLO O=C1C[N@H+](C[C@H]2CC2(Cl)Cl)CCCN1 ZINC000726846052 583378160 /nfs/dbraw/zinc/37/81/60/583378160.db2.gz VKTUEUUDALYIBW-SSDOTTSWSA-N 1 2 237.130 1.002 20 0 BDADLO O=C1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCCN1 ZINC000726846052 583378163 /nfs/dbraw/zinc/37/81/63/583378163.db2.gz VKTUEUUDALYIBW-SSDOTTSWSA-N 1 2 237.130 1.002 20 0 BDADLO Cn1ccc(-c2nc(C[NH2+]CCF)cs2)n1 ZINC000894220734 583382039 /nfs/dbraw/zinc/38/20/39/583382039.db2.gz JKAURKCYOGSLQE-UHFFFAOYSA-N 1 2 240.307 1.603 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1=COCCC1 ZINC000857281928 588902391 /nfs/dbraw/zinc/90/23/91/588902391.db2.gz YAOISTGTTRQOAW-SNVBAGLBSA-N 1 2 249.314 1.775 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccnnc1 ZINC000857280910 588902644 /nfs/dbraw/zinc/90/26/44/588902644.db2.gz PWUBFUGMWLZIHR-VIFPVBQESA-N 1 2 245.286 1.184 20 0 BDADLO Cn1ncc(C[N@@H+]2CCOCC23CC3)c1C1CC1 ZINC000894280423 583407977 /nfs/dbraw/zinc/40/79/77/583407977.db2.gz VLXBRKJDZFKBQL-UHFFFAOYSA-N 1 2 247.342 1.662 20 0 BDADLO Cn1ncc(C[N@H+]2CCOCC23CC3)c1C1CC1 ZINC000894280423 583407982 /nfs/dbraw/zinc/40/79/82/583407982.db2.gz VLXBRKJDZFKBQL-UHFFFAOYSA-N 1 2 247.342 1.662 20 0 BDADLO O=C1CCN1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000857233223 588898179 /nfs/dbraw/zinc/89/81/79/588898179.db2.gz AQDGDRMINYJPOG-UHFFFAOYSA-N 1 2 234.274 1.374 20 0 BDADLO O=C1CCN1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000857233223 588898181 /nfs/dbraw/zinc/89/81/81/588898181.db2.gz AQDGDRMINYJPOG-UHFFFAOYSA-N 1 2 234.274 1.374 20 0 BDADLO CC[C@@H](NCc1c[nH+]c[nH]1)C(=O)OC(C)(C)C ZINC000894410254 583450889 /nfs/dbraw/zinc/45/08/89/583450889.db2.gz MMUJVULAUWCYFU-SNVBAGLBSA-N 1 2 239.319 1.620 20 0 BDADLO CC[C@@H](NCc1c[nH]c[nH+]1)C(=O)OC(C)(C)C ZINC000894410254 583450890 /nfs/dbraw/zinc/45/08/90/583450890.db2.gz MMUJVULAUWCYFU-SNVBAGLBSA-N 1 2 239.319 1.620 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)[nH]1 ZINC000880004555 583453875 /nfs/dbraw/zinc/45/38/75/583453875.db2.gz WVQIALMHLRRUJT-SECBINFHSA-N 1 2 248.252 1.887 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)[nH]1 ZINC000880004555 583453878 /nfs/dbraw/zinc/45/38/78/583453878.db2.gz WVQIALMHLRRUJT-SECBINFHSA-N 1 2 248.252 1.887 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1ocnc1C ZINC000894431325 583457428 /nfs/dbraw/zinc/45/74/28/583457428.db2.gz OKCJZEXHCSFLHA-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1ocnc1C ZINC000894431325 583457430 /nfs/dbraw/zinc/45/74/30/583457430.db2.gz OKCJZEXHCSFLHA-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1C ZINC000894453346 583463321 /nfs/dbraw/zinc/46/33/21/583463321.db2.gz PUZHTVIKSZXHAZ-ZKANADHPSA-N 1 2 243.376 1.225 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1C ZINC000894453346 583463322 /nfs/dbraw/zinc/46/33/22/583463322.db2.gz PUZHTVIKSZXHAZ-ZKANADHPSA-N 1 2 243.376 1.225 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(NCCN(C)OC)c12 ZINC000894465509 583467858 /nfs/dbraw/zinc/46/78/58/583467858.db2.gz XVHGOQAZZFTDGV-UHFFFAOYSA-N 1 2 249.318 1.377 20 0 BDADLO C[C@H](O)c1cccc(N[C@H](CO)C2CCC2)[nH+]1 ZINC000894484692 583471038 /nfs/dbraw/zinc/47/10/38/583471038.db2.gz AOGNRRYFSOQQLI-JOYOIKCWSA-N 1 2 236.315 1.708 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000894513032 583475340 /nfs/dbraw/zinc/47/53/40/583475340.db2.gz APEDHILUDFEYLU-APPZFPTMSA-N 1 2 221.247 1.715 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC2(F)F)[C@H]1OC ZINC000894514376 583476006 /nfs/dbraw/zinc/47/60/06/583476006.db2.gz ZRMHKUDXMUDPMN-GWOFURMSSA-N 1 2 249.301 1.956 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCC[C@H](C)CC1)C(=O)OC ZINC000894539155 583479725 /nfs/dbraw/zinc/47/97/25/583479725.db2.gz PMZCZXMLEZQDGI-SRVKXCTJSA-N 1 2 243.347 1.733 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)COC(C)=O)s1 ZINC000894554370 583483701 /nfs/dbraw/zinc/48/37/01/583483701.db2.gz ADZLNHOLEHIGGP-ZETCQYMHSA-N 1 2 243.332 1.142 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)COC(C)=O)s1 ZINC000894554369 583483873 /nfs/dbraw/zinc/48/38/73/583483873.db2.gz ADZLNHOLEHIGGP-SSDOTTSWSA-N 1 2 243.332 1.142 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@H](O)C23CCC3)[nH+]cn1 ZINC000894576992 583487802 /nfs/dbraw/zinc/48/78/02/583487802.db2.gz MZLULSYDYZWVRK-UWVGGRQHSA-N 1 2 248.330 1.258 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000894576992 583487805 /nfs/dbraw/zinc/48/78/05/583487805.db2.gz MZLULSYDYZWVRK-UWVGGRQHSA-N 1 2 248.330 1.258 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@@H]4C[C@@H]4C3)c12 ZINC000894594985 583493173 /nfs/dbraw/zinc/49/31/73/583493173.db2.gz XCKLHMGTEHHBTH-NXEZZACHSA-N 1 2 214.272 1.576 20 0 BDADLO CC(C)c1c[nH]c(CN(CCO)CC(F)F)[nH+]1 ZINC000894614764 583494095 /nfs/dbraw/zinc/49/40/95/583494095.db2.gz XXMBGBULWDTCOT-UHFFFAOYSA-N 1 2 247.289 1.593 20 0 BDADLO FCC(CF)NCc1[nH+]ccn1C1CC1 ZINC000894665876 583502096 /nfs/dbraw/zinc/50/20/96/583502096.db2.gz BRWPWMFUJNDOJT-UHFFFAOYSA-N 1 2 215.247 1.615 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000894669749 583502920 /nfs/dbraw/zinc/50/29/20/583502920.db2.gz YQQHKVFFIMTSOE-LLVKDONJSA-N 1 2 246.289 1.960 20 0 BDADLO CN(C)c1cc(NCC[C@H]2CC2(F)F)[nH+]cn1 ZINC000894673270 583504591 /nfs/dbraw/zinc/50/45/91/583504591.db2.gz MMBCZZJZYBXUND-QMMMGPOBSA-N 1 2 242.273 2.000 20 0 BDADLO CN(C)c1cc(NCC[C@H]2CC2(F)F)nc[nH+]1 ZINC000894673270 583504592 /nfs/dbraw/zinc/50/45/92/583504592.db2.gz MMBCZZJZYBXUND-QMMMGPOBSA-N 1 2 242.273 2.000 20 0 BDADLO CN(CC1(C)COC1)c1nccn2c[nH+]cc12 ZINC000894724867 583515326 /nfs/dbraw/zinc/51/53/26/583515326.db2.gz BDEGYZSUOVQULK-UHFFFAOYSA-N 1 2 232.287 1.202 20 0 BDADLO O=c1cc(C[NH+]2CC(OC(F)F)C2)cc[nH]1 ZINC000894832111 583528526 /nfs/dbraw/zinc/52/85/26/583528526.db2.gz ARTKHZWRXXAZML-UHFFFAOYSA-N 1 2 230.214 1.211 20 0 BDADLO COCC1(C)C[NH+](Cc2cnc(F)c(C)c2)C1 ZINC000894841803 583529877 /nfs/dbraw/zinc/52/98/77/583529877.db2.gz XWCQAXKJTOSQEU-UHFFFAOYSA-N 1 2 238.306 1.997 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2C[C@H](C)[C@@H]2C)s1 ZINC000894861963 583535195 /nfs/dbraw/zinc/53/51/95/583535195.db2.gz PXYMMJLMOUTVAF-YUMQZZPRSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2C[C@H](C)[C@@H]2C)s1 ZINC000894861963 583535197 /nfs/dbraw/zinc/53/51/97/583535197.db2.gz PXYMMJLMOUTVAF-YUMQZZPRSA-N 1 2 240.328 1.770 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)n2C)[C@H]1C ZINC000894861706 583535409 /nfs/dbraw/zinc/53/54/09/583535409.db2.gz MNFQITFZXOPZAY-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)n2C)[C@H]1C ZINC000894861706 583535412 /nfs/dbraw/zinc/53/54/12/583535412.db2.gz MNFQITFZXOPZAY-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO c1cn(C2CC2)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000894862293 583536576 /nfs/dbraw/zinc/53/65/76/583536576.db2.gz GROQGAPYFLSUHR-YPMHNXCESA-N 1 2 247.342 1.829 20 0 BDADLO c1cn(C2CC2)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000894862293 583536579 /nfs/dbraw/zinc/53/65/79/583536579.db2.gz GROQGAPYFLSUHR-YPMHNXCESA-N 1 2 247.342 1.829 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](CO)CC2)c1C ZINC000894866487 583537645 /nfs/dbraw/zinc/53/76/45/583537645.db2.gz SCJLXNWLBKXCIV-LBPRGKRZSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](CO)CC2)c1C ZINC000894866487 583537646 /nfs/dbraw/zinc/53/76/46/583537646.db2.gz SCJLXNWLBKXCIV-LBPRGKRZSA-N 1 2 237.347 1.621 20 0 BDADLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894873844 583541095 /nfs/dbraw/zinc/54/10/95/583541095.db2.gz KLIKYMWZRPYCGZ-PRJMDXOYSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@@H]1[C@@H](C[N@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894873844 583541096 /nfs/dbraw/zinc/54/10/96/583541096.db2.gz KLIKYMWZRPYCGZ-PRJMDXOYSA-N 1 2 237.221 1.085 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccc(F)cc1F ZINC000880486305 583544223 /nfs/dbraw/zinc/54/42/23/583544223.db2.gz NTCGNJCNAMPRCQ-NSHDSACASA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ccc(F)cc1F ZINC000880486305 583544225 /nfs/dbraw/zinc/54/42/25/583544225.db2.gz NTCGNJCNAMPRCQ-NSHDSACASA-N 1 2 225.238 1.698 20 0 BDADLO CCc1nc(N2Cc3c[nH]nc3[C@H](C)C2)cc[nH+]1 ZINC000894895813 583550127 /nfs/dbraw/zinc/55/01/27/583550127.db2.gz VBLTYNVUJQFVGY-SECBINFHSA-N 1 2 243.314 1.886 20 0 BDADLO C[C@H]1C[N@H+](C/C=C\c2cccc(F)c2)CC(=O)N1 ZINC000894901370 583551876 /nfs/dbraw/zinc/55/18/76/583551876.db2.gz CTAJUDIBAMTRPY-MZBZXASESA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CC(=O)N1 ZINC000894901370 583551878 /nfs/dbraw/zinc/55/18/78/583551878.db2.gz CTAJUDIBAMTRPY-MZBZXASESA-N 1 2 248.301 1.659 20 0 BDADLO CNc1cc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nc[nH+]1 ZINC000894922036 583556919 /nfs/dbraw/zinc/55/69/19/583556919.db2.gz NWNWXXKTVJPOQN-LGTSKVTRSA-N 1 2 246.314 1.354 20 0 BDADLO CNc1cc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)[nH+]cn1 ZINC000894922036 583556921 /nfs/dbraw/zinc/55/69/21/583556921.db2.gz NWNWXXKTVJPOQN-LGTSKVTRSA-N 1 2 246.314 1.354 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CC(C(C)C)C(C)C ZINC000894972565 583561303 /nfs/dbraw/zinc/56/13/03/583561303.db2.gz RPTHDZKBASCQES-ZDUSSCGKSA-N 1 2 245.363 1.428 20 0 BDADLO COC1C[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894970846 583561420 /nfs/dbraw/zinc/56/14/20/583561420.db2.gz NLWGHLPDVVNYAV-UHFFFAOYSA-N 1 2 233.271 1.099 20 0 BDADLO CNc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)nc[nH+]1 ZINC000895009310 583567029 /nfs/dbraw/zinc/56/70/29/583567029.db2.gz BHRQDBVLAXANJO-PHIMTYICSA-N 1 2 230.315 1.921 20 0 BDADLO CNc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)[nH+]cn1 ZINC000895009310 583567031 /nfs/dbraw/zinc/56/70/31/583567031.db2.gz BHRQDBVLAXANJO-PHIMTYICSA-N 1 2 230.315 1.921 20 0 BDADLO Cc1nnc(C[NH+]2CC(CC(F)F)C2)s1 ZINC000895017795 583567434 /nfs/dbraw/zinc/56/74/34/583567434.db2.gz HGUHXVOFPOFBIQ-UHFFFAOYSA-N 1 2 233.287 1.934 20 0 BDADLO OCc1cc[nH+]c(NCCC[C@@H]2CCO2)c1 ZINC000895038581 583570240 /nfs/dbraw/zinc/57/02/40/583570240.db2.gz WEOPRWXWBHJRGK-LLVKDONJSA-N 1 2 222.288 1.555 20 0 BDADLO CC1(C)C[C@H](O)CN(c2nccn3c[nH+]cc23)C1 ZINC000895031717 583571417 /nfs/dbraw/zinc/57/14/17/583571417.db2.gz NUQPFXQYVNYZAS-JTQLQIEISA-N 1 2 246.314 1.327 20 0 BDADLO C[C@H](O)c1cccc(NC[C@H]2C[C@H](O)C2)[nH+]1 ZINC000895075088 583580095 /nfs/dbraw/zinc/58/00/95/583580095.db2.gz PVNHXKGGKVZUNX-GUBZILKMSA-N 1 2 222.288 1.318 20 0 BDADLO CC[C@H](C[NH2+]Cc1cn[nH]c1C)C(=O)OC ZINC000895119827 583593682 /nfs/dbraw/zinc/59/36/82/583593682.db2.gz HXMGKXRSBXBUIJ-SECBINFHSA-N 1 2 225.292 1.007 20 0 BDADLO Cc1ncc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)o1 ZINC000895122250 583596498 /nfs/dbraw/zinc/59/64/98/583596498.db2.gz SSHYOOISFGAIKW-IWSPIJDZSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1ncc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)o1 ZINC000895122250 583596499 /nfs/dbraw/zinc/59/64/99/583596499.db2.gz SSHYOOISFGAIKW-IWSPIJDZSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCCCC[C@H]2CO)c1C ZINC000895150665 583606332 /nfs/dbraw/zinc/60/63/32/583606332.db2.gz NOPJADGCBMAPGB-LBPRGKRZSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCCCC[C@H]2CO)c1C ZINC000895150665 583606333 /nfs/dbraw/zinc/60/63/33/583606333.db2.gz NOPJADGCBMAPGB-LBPRGKRZSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1cc(N2CC=C[C@H]2CO)nc(C2CCC2)[nH+]1 ZINC000895161637 583610334 /nfs/dbraw/zinc/61/03/34/583610334.db2.gz CRAOPNGMEZEYAN-LBPRGKRZSA-N 1 2 245.326 1.790 20 0 BDADLO Cc1occc1C[NH2+][C@H](C)C1N=NC(=O)N1C ZINC000895170129 583612226 /nfs/dbraw/zinc/61/22/26/583612226.db2.gz CRYWPYPWISGPCD-SSDOTTSWSA-N 1 2 236.275 1.273 20 0 BDADLO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1n[nH]c(=O)n1C ZINC000895171393 583612578 /nfs/dbraw/zinc/61/25/78/583612578.db2.gz JSAOLSUPINUPQQ-BWZBUEFSSA-N 1 2 242.348 1.065 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H](C)C1N=NC(=O)N1C ZINC000895175646 583615622 /nfs/dbraw/zinc/61/56/22/583615622.db2.gz OGUASLGHSQUXFG-VIFPVBQESA-N 1 2 247.302 1.075 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCSC1)c1n[nH]c(=O)n1C ZINC000895179288 583617036 /nfs/dbraw/zinc/61/70/36/583617036.db2.gz FWWKFLPDGOGUTO-SFYZADRCSA-N 1 2 242.348 1.067 20 0 BDADLO CNc1cc(CNc2nccc(C)n2)cc[nH+]1 ZINC000895254624 583633760 /nfs/dbraw/zinc/63/37/60/583633760.db2.gz CCPQARIQRKIPEO-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1C ZINC000895258915 583634408 /nfs/dbraw/zinc/63/44/08/583634408.db2.gz IFPDELLKCGWQKH-CQSZACIVSA-N 1 2 249.358 1.763 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H]3C[C@@H]32)c1 ZINC000895291554 583636974 /nfs/dbraw/zinc/63/69/74/583636974.db2.gz NQIAMNMLNFCEOX-PWSUYJOCSA-N 1 2 248.330 1.157 20 0 BDADLO Cc1nc(C[NH2+][C@H]2C(=O)NCC2(C)C)cs1 ZINC000895319497 583649429 /nfs/dbraw/zinc/64/94/29/583649429.db2.gz YGNFMJCUFJPTSH-VIFPVBQESA-N 1 2 239.344 1.066 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000895352003 583656578 /nfs/dbraw/zinc/65/65/78/583656578.db2.gz MDIZCPKOUROUPR-MFKMUULPSA-N 1 2 231.299 1.621 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000857879648 588919576 /nfs/dbraw/zinc/91/95/76/588919576.db2.gz LZUJCMTZYHIRNA-CYBMUJFWSA-N 1 2 236.315 1.185 20 0 BDADLO CCOCC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000857879648 588919578 /nfs/dbraw/zinc/91/95/78/588919578.db2.gz LZUJCMTZYHIRNA-CYBMUJFWSA-N 1 2 236.315 1.185 20 0 BDADLO CC1CCC(C[N@H+](C)C2CS(=O)(=O)C2)CC1 ZINC000895397722 583665106 /nfs/dbraw/zinc/66/51/06/583665106.db2.gz KJQDPOXZCQXJHT-UHFFFAOYSA-N 1 2 245.388 1.542 20 0 BDADLO CC1CCC(C[N@@H+](C)C2CS(=O)(=O)C2)CC1 ZINC000895397722 583665107 /nfs/dbraw/zinc/66/51/07/583665107.db2.gz KJQDPOXZCQXJHT-UHFFFAOYSA-N 1 2 245.388 1.542 20 0 BDADLO C([NH2+]C1CSC1)c1nnc(C2CC2)s1 ZINC000895434377 583672602 /nfs/dbraw/zinc/67/26/02/583672602.db2.gz VMDWGTUSFYAWFM-UHFFFAOYSA-N 1 2 227.358 1.621 20 0 BDADLO C[C@@H](O)C1([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000895441929 583675255 /nfs/dbraw/zinc/67/52/55/583675255.db2.gz HRIFJDHFAOAKFP-DTWKUNHWSA-N 1 2 229.320 1.220 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857889621 588921085 /nfs/dbraw/zinc/92/10/85/588921085.db2.gz LVXCIVBGFHMAHP-UMCURTJPSA-N 1 2 233.315 1.526 20 0 BDADLO CCc1nc(NC2CC(CC(=O)OC)C2)cc[nH+]1 ZINC000895498359 583681466 /nfs/dbraw/zinc/68/14/66/583681466.db2.gz NIGZEGUCRUWGFM-UHFFFAOYSA-N 1 2 249.314 1.793 20 0 BDADLO CC1(CC(=O)Nc2cccc3[nH+]ccn32)COC1 ZINC000895507706 583681473 /nfs/dbraw/zinc/68/14/73/583681473.db2.gz YTHCZIHMKBZRDF-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO COC(=O)/C(C)=C\CNc1cc(C)[nH+]cn1 ZINC000895508981 583681902 /nfs/dbraw/zinc/68/19/02/583681902.db2.gz ODWAOPOVIWKMCA-YWEYNIOJSA-N 1 2 221.260 1.316 20 0 BDADLO O=C(C=C1CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888877 588921357 /nfs/dbraw/zinc/92/13/57/588921357.db2.gz FNINMRUJQIVSPJ-SNVBAGLBSA-N 1 2 217.272 1.034 20 0 BDADLO NC(CO)=[NH+]OCCOc1ccc(Cl)cc1 ZINC000883009938 583686715 /nfs/dbraw/zinc/68/67/15/583686715.db2.gz ZBLYELUABYUHPU-UHFFFAOYSA-N 1 2 244.678 1.210 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2CC3(CCC3)C2)c1 ZINC000895589089 583694933 /nfs/dbraw/zinc/69/49/33/583694933.db2.gz NGSSCZHEJXCPAF-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1ccnc(Cl)c1F)C2 ZINC000895652109 583703319 /nfs/dbraw/zinc/70/33/19/583703319.db2.gz FNAVRSWZYXKHIK-LDYMZIIASA-N 1 2 242.681 1.441 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1ccnc(Cl)c1F)C2 ZINC000895652109 583703321 /nfs/dbraw/zinc/70/33/21/583703321.db2.gz FNAVRSWZYXKHIK-LDYMZIIASA-N 1 2 242.681 1.441 20 0 BDADLO CC(=O)OC[C@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000895701076 583709508 /nfs/dbraw/zinc/70/95/08/583709508.db2.gz WZQBOLVUOBZDTI-VIFPVBQESA-N 1 2 237.303 1.511 20 0 BDADLO C[C@H]1OCC[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000895726911 583713557 /nfs/dbraw/zinc/71/35/57/583713557.db2.gz KFQXDEKRRBEQEY-RITPCOANSA-N 1 2 233.218 1.274 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](C)O ZINC000895743324 583715795 /nfs/dbraw/zinc/71/57/95/583715795.db2.gz GGSSENYQSKHXOF-MXWKQRLJSA-N 1 2 231.336 1.181 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(C)(C)SC)[C@@H](C)O ZINC000895743990 583716120 /nfs/dbraw/zinc/71/61/20/583716120.db2.gz RTIXDAMYLBYIFW-BDAKNGLRSA-N 1 2 249.376 1.030 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000857944280 588924497 /nfs/dbraw/zinc/92/44/97/588924497.db2.gz KBAUGVZHTPBRIT-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857949270 588924886 /nfs/dbraw/zinc/92/48/86/588924886.db2.gz YULFSQZJCMLRRR-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808895 583729669 /nfs/dbraw/zinc/72/96/69/583729669.db2.gz WNYDDKUHXPKCLS-VWYCJHECSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804106 583731402 /nfs/dbraw/zinc/73/14/02/583731402.db2.gz NJJPNMDPQFNBES-KXUCPTDWSA-N 1 2 229.345 1.422 20 0 BDADLO Cc1cccc(C[C@H](C)[NH2+][C@H]2CCOC2=O)c1 ZINC000895807816 583732547 /nfs/dbraw/zinc/73/25/47/583732547.db2.gz CTOOQGDQFNHVIL-AAEUAGOBSA-N 1 2 233.311 1.831 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1(F)F ZINC000857976395 588925410 /nfs/dbraw/zinc/92/54/10/588925410.db2.gz CWWLETJLRMFUBC-XCBNKYQSSA-N 1 2 241.241 1.489 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977401 588925467 /nfs/dbraw/zinc/92/54/67/588925467.db2.gz DHZRLIRINORAJH-LLGDCAAFSA-N 1 2 219.288 1.800 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983264 588925709 /nfs/dbraw/zinc/92/57/09/588925709.db2.gz YSIIJTJDHJRJIM-GARJFASQSA-N 1 2 233.315 1.736 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2COC[C@H]2C)[nH+]1 ZINC000895907945 583745069 /nfs/dbraw/zinc/74/50/69/583745069.db2.gz FITCGDIQVBICQP-YWVKMMECSA-N 1 2 222.288 1.582 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000895910298 583745150 /nfs/dbraw/zinc/74/51/50/583745150.db2.gz PDVDWSLDGHMYBZ-WPRPVWTQSA-N 1 2 234.303 1.498 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000895910298 583745152 /nfs/dbraw/zinc/74/51/52/583745152.db2.gz PDVDWSLDGHMYBZ-WPRPVWTQSA-N 1 2 234.303 1.498 20 0 BDADLO CO[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857974684 588926000 /nfs/dbraw/zinc/92/60/00/588926000.db2.gz ISDJBDIJYPEBSE-PWSUYJOCSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCCO1 ZINC000857976212 588926050 /nfs/dbraw/zinc/92/60/50/588926050.db2.gz ACFJDMPYVZRPEY-MFKMUULPSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1CC2(CC2)C1 ZINC000857975383 588926296 /nfs/dbraw/zinc/92/62/96/588926296.db2.gz NFACQEUIGGNGAF-SNVBAGLBSA-N 1 2 231.299 1.634 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@H]2C[C@H]2C1 ZINC000857975934 588926416 /nfs/dbraw/zinc/92/64/16/588926416.db2.gz SXXSSPDJCHYWMB-VPOLOUISSA-N 1 2 231.299 1.490 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccc(CO)o2)C1 ZINC000895955062 583752650 /nfs/dbraw/zinc/75/26/50/583752650.db2.gz NAGLLOFTAQGMRZ-UHFFFAOYSA-N 1 2 225.288 1.381 20 0 BDADLO CC(C)OC1C[NH+](Cc2cnn(CCF)c2)C1 ZINC000895956835 583752690 /nfs/dbraw/zinc/75/26/90/583752690.db2.gz WBEGHUORDZODFN-UHFFFAOYSA-N 1 2 241.310 1.462 20 0 BDADLO CCc1nnc(C[NH+]2CC(COC)C2)s1 ZINC000895976509 583753253 /nfs/dbraw/zinc/75/32/53/583753253.db2.gz QPHWRYGMWTUIRF-UHFFFAOYSA-N 1 2 227.333 1.179 20 0 BDADLO COCC1C[NH+](Cc2ccnc(Cl)c2F)C1 ZINC000895969848 583754890 /nfs/dbraw/zinc/75/48/90/583754890.db2.gz OAEMNPJTXSFZGM-UHFFFAOYSA-N 1 2 244.697 1.952 20 0 BDADLO CCC/C=C\C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977483 588926733 /nfs/dbraw/zinc/92/67/33/588926733.db2.gz VYULTKRVDRMSOE-LWTINBJPSA-N 1 2 219.288 1.800 20 0 BDADLO COCC1C[NH+](Cc2c(C)nn(C)c2Cl)C1 ZINC000895972240 583756913 /nfs/dbraw/zinc/75/69/13/583756913.db2.gz UJPDAMKPTGLQGC-UHFFFAOYSA-N 1 2 243.738 1.460 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C(F)F ZINC000857980413 588927223 /nfs/dbraw/zinc/92/72/23/588927223.db2.gz YBPUSVRTCIYNEQ-SSDOTTSWSA-N 1 2 243.257 1.735 20 0 BDADLO Cc1ccc(CC(=O)N[C@@H]2CCn3c[nH+]cc32)o1 ZINC000857981732 588927760 /nfs/dbraw/zinc/92/77/60/588927760.db2.gz BBQBSGWMTGRJOX-LLVKDONJSA-N 1 2 245.282 1.588 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2CCn3c[nH+]cc32)o1 ZINC000857982853 588928138 /nfs/dbraw/zinc/92/81/38/588928138.db2.gz MXSWLNBRAQWZAI-JTQLQIEISA-N 1 2 245.282 1.968 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCC=CO1 ZINC000857982641 588928300 /nfs/dbraw/zinc/92/83/00/588928300.db2.gz KUGWTBIOHHBSKG-GXSJLCMTSA-N 1 2 233.271 1.137 20 0 BDADLO O=C(C[C@@H]1CCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857985181 588928375 /nfs/dbraw/zinc/92/83/75/588928375.db2.gz IOSJNSHVDPWPSM-UWVGGRQHSA-N 1 2 235.287 1.013 20 0 BDADLO Cc1nc(NC[C@]2(C)CCCCO2)nc(N)[nH+]1 ZINC000896180316 583779875 /nfs/dbraw/zinc/77/98/75/583779875.db2.gz HDWKVSNWWXBBKL-NSHDSACASA-N 1 2 237.307 1.133 20 0 BDADLO Cc1nc(N)nc(NC[C@]2(C)CCCCO2)[nH+]1 ZINC000896180316 583779877 /nfs/dbraw/zinc/77/98/77/583779877.db2.gz HDWKVSNWWXBBKL-NSHDSACASA-N 1 2 237.307 1.133 20 0 BDADLO CCC[C@H](O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000896181145 583780526 /nfs/dbraw/zinc/78/05/26/583780526.db2.gz BJUWPYMVDARRFI-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@H](O)CCNc1cc(N(C)C)[nH+]cn1 ZINC000896181145 583780528 /nfs/dbraw/zinc/78/05/28/583780528.db2.gz BJUWPYMVDARRFI-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO O=C(C=C1CCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987251 588929040 /nfs/dbraw/zinc/92/90/40/588929040.db2.gz SGOIGXNLKCJIMZ-SNVBAGLBSA-N 1 2 217.272 1.554 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)o1 ZINC000857987815 588929394 /nfs/dbraw/zinc/92/93/94/588929394.db2.gz AMVBVGDMNXJOHD-NSHDSACASA-N 1 2 245.282 1.968 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccncc1O ZINC000896262764 583787376 /nfs/dbraw/zinc/78/73/76/583787376.db2.gz SXUPUJHDLUYLAA-JTQLQIEISA-N 1 2 249.314 1.020 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccncc1O ZINC000896262764 583787378 /nfs/dbraw/zinc/78/73/78/583787378.db2.gz SXUPUJHDLUYLAA-JTQLQIEISA-N 1 2 249.314 1.020 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986837 588929416 /nfs/dbraw/zinc/92/94/16/588929416.db2.gz XEYCPZVVCRITPR-MWLCHTKSSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccsc1 ZINC000857989098 588929447 /nfs/dbraw/zinc/92/94/47/588929447.db2.gz PEEGTVMMMOSAJH-SECBINFHSA-N 1 2 233.296 1.819 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(C2CC2)CC1 ZINC000896302935 583789883 /nfs/dbraw/zinc/78/98/83/583789883.db2.gz BPCCOSAUFDVDMN-UHFFFAOYSA-N 1 2 205.261 1.216 20 0 BDADLO O=C(Cc1cccs1)N[C@H]1CCn2c[nH+]cc21 ZINC000857991254 588929823 /nfs/dbraw/zinc/92/98/23/588929823.db2.gz WHKNYHJRNSUHQY-JTQLQIEISA-N 1 2 247.323 1.748 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H]1CCCO1)CCN2 ZINC000857994440 588929914 /nfs/dbraw/zinc/92/99/14/588929914.db2.gz JRKKZGMMIFQPDC-LLVKDONJSA-N 1 2 247.298 1.328 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)c1ncc[nH]1)CCN2 ZINC000858001335 588930509 /nfs/dbraw/zinc/93/05/09/588930509.db2.gz VMHLQQDHMNFTAK-UHFFFAOYSA-N 1 2 243.270 1.185 20 0 BDADLO CCOCCOCCNc1cccc[nH+]1 ZINC000896486174 583804097 /nfs/dbraw/zinc/80/40/97/583804097.db2.gz GRLMTHAXEXWBEG-UHFFFAOYSA-N 1 2 210.277 1.547 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1=COCC1)CCN2 ZINC000857998607 588930610 /nfs/dbraw/zinc/93/06/10/588930610.db2.gz WTEJOGOHGBEHIQ-UHFFFAOYSA-N 1 2 245.282 1.453 20 0 BDADLO COC[C@H](CNc1cc(CO)cc[nH+]1)C(C)C ZINC000896503259 583807821 /nfs/dbraw/zinc/80/78/21/583807821.db2.gz LZXYEMIXNFFSRU-LBPRGKRZSA-N 1 2 238.331 1.904 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccn2C2CC2)CCO1 ZINC000896574467 583813688 /nfs/dbraw/zinc/81/36/88/583813688.db2.gz RCBNLHVEDGXHGY-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccn2C2CC2)CCO1 ZINC000896574467 583813689 /nfs/dbraw/zinc/81/36/89/583813689.db2.gz RCBNLHVEDGXHGY-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO Cc1cc(N2CCOC[C@@H]2CC2CC2)nc[nH+]1 ZINC000896639005 583820073 /nfs/dbraw/zinc/82/00/73/583820073.db2.gz SPSBZBVWGJIZRF-LBPRGKRZSA-N 1 2 233.315 1.790 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)CC1CCCC1 ZINC000896928004 583859711 /nfs/dbraw/zinc/85/97/11/583859711.db2.gz XINDMASRGKRJAY-VIFPVBQESA-N 1 2 214.309 1.222 20 0 BDADLO Fc1cc(C[NH2+][C@H]2CCn3ccnc32)ccn1 ZINC000858169611 588936588 /nfs/dbraw/zinc/93/65/88/588936588.db2.gz AFIOLBOWSVAJAZ-JTQLQIEISA-N 1 2 232.262 1.652 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cccc(=O)[nH]2)[nH+]c1C ZINC000896910410 583852691 /nfs/dbraw/zinc/85/26/91/583852691.db2.gz PATVSMXEVUDISJ-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO CC[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)[C@@H](C)O ZINC000896910957 583853044 /nfs/dbraw/zinc/85/30/44/583853044.db2.gz IAGONADBZHNEJA-NXEZZACHSA-N 1 2 239.319 1.050 20 0 BDADLO Cc1[nH]c(CNC(=O)C[C@@H]2CCOC2)[nH+]c1C ZINC000896918507 583855887 /nfs/dbraw/zinc/85/58/87/583855887.db2.gz BHPIBPZEYKMRBW-JTQLQIEISA-N 1 2 237.303 1.069 20 0 BDADLO CCOCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922122 583857000 /nfs/dbraw/zinc/85/70/00/583857000.db2.gz KKNYRWXVOMMQHY-UHFFFAOYSA-N 1 2 239.319 1.459 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H](C)n2cccn2)[nH+]c1C ZINC000896921827 583857009 /nfs/dbraw/zinc/85/70/09/583857009.db2.gz GHSOZGBXJKTEPI-JTQLQIEISA-N 1 2 247.302 1.100 20 0 BDADLO CCC[C@H]([NH2+]CC(=O)NOC)[C@H]1CC1(C)C ZINC000896924036 583858409 /nfs/dbraw/zinc/85/84/09/583858409.db2.gz JNZICPCLXNFXGV-ZJUUUORDSA-N 1 2 228.336 1.468 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000896927242 583858597 /nfs/dbraw/zinc/85/85/97/583858597.db2.gz OUSWSYJODNKMSY-OPRDCNLKSA-N 1 2 214.309 1.078 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000896923547 583858802 /nfs/dbraw/zinc/85/88/02/583858802.db2.gz GLDCQPBUELFNTA-CYBMUJFWSA-N 1 2 248.326 1.201 20 0 BDADLO CONC(=O)C[NH2+]C1CCC(C(F)F)CC1 ZINC000896928229 583859537 /nfs/dbraw/zinc/85/95/37/583859537.db2.gz YHZPHWIORFDNNR-UHFFFAOYSA-N 1 2 236.262 1.078 20 0 BDADLO CONC(=O)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000896927980 583859668 /nfs/dbraw/zinc/85/96/68/583859668.db2.gz WRYJLNPEYGGXTL-UHFFFAOYSA-N 1 2 248.326 1.374 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000896926680 583860080 /nfs/dbraw/zinc/86/00/80/583860080.db2.gz KDSANVPCYWDMNA-JTQLQIEISA-N 1 2 226.320 1.367 20 0 BDADLO Cc1nc(N2CCC[C@H]2C2OCCO2)cc[nH+]1 ZINC000897006432 583868636 /nfs/dbraw/zinc/86/86/36/583868636.db2.gz GGCRULLCKZWNMV-JTQLQIEISA-N 1 2 235.287 1.127 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc[nH+]1 ZINC000897071574 583878020 /nfs/dbraw/zinc/87/80/20/583878020.db2.gz GSNASCBKXGKHDL-BLHGMNIDSA-N 1 2 232.287 1.106 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]cn1 ZINC000897071574 583878022 /nfs/dbraw/zinc/87/80/22/583878022.db2.gz GSNASCBKXGKHDL-BLHGMNIDSA-N 1 2 232.287 1.106 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC23CC(O)C3)[nH+]1 ZINC000897091622 583878831 /nfs/dbraw/zinc/87/88/31/583878831.db2.gz OQRVGSLDBWSSOE-MDGUTJNFSA-N 1 2 244.298 1.592 20 0 BDADLO CC(C)c1nc(N[C@H]2CC23CC(O)C3)cc[nH+]1 ZINC000897091760 583878889 /nfs/dbraw/zinc/87/88/89/583878889.db2.gz VCACKRWWWFPSFP-QUNCOHTASA-N 1 2 233.315 1.925 20 0 BDADLO COC1(C(F)(F)F)CN(c2cc[nH+]c(C)n2)C1 ZINC000897104569 583880360 /nfs/dbraw/zinc/88/03/60/583880360.db2.gz WCWGZWJYEVYNGS-UHFFFAOYSA-N 1 2 247.220 1.553 20 0 BDADLO CCc1cc(N2CC[C@@H]2CO)nc(CC)[nH+]1 ZINC000897119005 583882498 /nfs/dbraw/zinc/88/24/98/583882498.db2.gz RYBPCLHUMJKIPI-SNVBAGLBSA-N 1 2 221.304 1.172 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1cc[nH+]cc1F ZINC000897142062 583883443 /nfs/dbraw/zinc/88/34/43/583883443.db2.gz FTRSHKYHWHVLMM-WDEREUQCSA-N 1 2 210.252 1.834 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1cc[nH+]cc1F ZINC000897142060 583883688 /nfs/dbraw/zinc/88/36/88/583883688.db2.gz FTRSHKYHWHVLMM-MNOVXSKESA-N 1 2 210.252 1.834 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3CCC[C@@H]32)nc(N)[nH+]1 ZINC000897177905 583890295 /nfs/dbraw/zinc/89/02/95/583890295.db2.gz XFWBPSNXFYJLQF-HRDYMLBCSA-N 1 2 219.292 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@H]3CCC[C@@H]32)[nH+]1 ZINC000897177905 583890296 /nfs/dbraw/zinc/89/02/96/583890296.db2.gz XFWBPSNXFYJLQF-HRDYMLBCSA-N 1 2 219.292 1.363 20 0 BDADLO Cc1nc(CNc2nc(C)[nH+]c(C)c2C)n[nH]1 ZINC000897209023 583894864 /nfs/dbraw/zinc/89/48/64/583894864.db2.gz KZEQICWZNNCJGS-UHFFFAOYSA-N 1 2 232.291 1.440 20 0 BDADLO COc1c(C)[nH+]cnc1NC1CC(CCO)C1 ZINC000897233123 583899502 /nfs/dbraw/zinc/89/95/02/583899502.db2.gz DOUWWIOGQALBFF-UHFFFAOYSA-N 1 2 237.303 1.367 20 0 BDADLO CCc1nc(NC2CC(CCO)C2)cc[nH+]1 ZINC000897236937 583900331 /nfs/dbraw/zinc/90/03/31/583900331.db2.gz ZGXKVABUSZNEBT-UHFFFAOYSA-N 1 2 221.304 1.612 20 0 BDADLO COc1nn(C)cc1CNc1[nH+]cccc1OC ZINC000897242938 583901371 /nfs/dbraw/zinc/90/13/71/583901371.db2.gz SXZAVNANKBMXJF-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO COc1nn(C)cc1CNc1cc[nH+]c(C)n1 ZINC000897244352 583901798 /nfs/dbraw/zinc/90/17/98/583901798.db2.gz DRWMHRZYIRHYCM-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC=CCC2)c[nH+]1 ZINC000897336238 583924584 /nfs/dbraw/zinc/92/45/84/583924584.db2.gz UAKCZIKNOHDGQS-UHFFFAOYSA-N 1 2 233.315 1.715 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2ccns2)n1 ZINC000858318546 588942697 /nfs/dbraw/zinc/94/26/97/588942697.db2.gz RFAGVMVKEDMNCP-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO CC(C)[N@H+](CCC1OCCO1)CC(F)F ZINC000124718488 583955789 /nfs/dbraw/zinc/95/57/89/583955789.db2.gz LMJIZCFXLIGCLY-UHFFFAOYSA-N 1 2 223.263 1.725 20 0 BDADLO CC(C)[N@@H+](CCC1OCCO1)CC(F)F ZINC000124718488 583955790 /nfs/dbraw/zinc/95/57/90/583955790.db2.gz LMJIZCFXLIGCLY-UHFFFAOYSA-N 1 2 223.263 1.725 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000888161416 583975727 /nfs/dbraw/zinc/97/57/27/583975727.db2.gz ZEKSVESREFBAON-ONGXEEELSA-N 1 2 249.314 1.511 20 0 BDADLO CCC[N@@H+]1CC[C@H](NC(=O)C(F)(F)F)C1 ZINC000202397859 583983130 /nfs/dbraw/zinc/98/31/30/583983130.db2.gz YZWCRFHQCVGZRB-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO CCC[N@H+]1CC[C@H](NC(=O)C(F)(F)F)C1 ZINC000202397859 583983131 /nfs/dbraw/zinc/98/31/31/583983131.db2.gz YZWCRFHQCVGZRB-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@H]1C[C@@H]1C ZINC000863457070 583991908 /nfs/dbraw/zinc/99/19/08/583991908.db2.gz AAQPEFYYCMGBRD-IONNQARKSA-N 1 2 227.308 1.056 20 0 BDADLO CN(C)c1ccc(CNc2nccnc2F)c[nH+]1 ZINC000858344891 588947515 /nfs/dbraw/zinc/94/75/15/588947515.db2.gz YLVXZUGEYBIAAL-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO Fc1nccnc1NCCCNc1cccc[nH+]1 ZINC000858351974 588948436 /nfs/dbraw/zinc/94/84/36/588948436.db2.gz ZANRYXXVRDQCPM-UHFFFAOYSA-N 1 2 247.277 1.925 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530443 584007310 /nfs/dbraw/zinc/00/73/10/584007310.db2.gz JPOMDZKAAAHSFA-UHFFFAOYSA-N 1 2 235.331 1.503 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=S)NC1(C)CC1 ZINC000865262433 584014886 /nfs/dbraw/zinc/01/48/86/584014886.db2.gz PMMLINYMEPRZOW-UHFFFAOYSA-N 1 2 224.333 1.269 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OC ZINC000897834453 584053116 /nfs/dbraw/zinc/05/31/16/584053116.db2.gz PEYLYDJFMDGEEI-IVZWLZJFSA-N 1 2 231.361 1.669 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2ccc(F)cc2)C1 ZINC000897788678 584048290 /nfs/dbraw/zinc/04/82/90/584048290.db2.gz BBWUDCQSRQIEBM-UHFFFAOYSA-N 1 2 248.301 1.632 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OC ZINC000897833944 584052455 /nfs/dbraw/zinc/05/24/55/584052455.db2.gz FDWDXIQLZLOFAB-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CO[C@@H](CC)C1)C(=O)OC ZINC000897834144 584052538 /nfs/dbraw/zinc/05/25/38/584052538.db2.gz KRYOLKSFRFAPEZ-GARJFASQSA-N 1 2 229.320 1.485 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C(=O)OC ZINC000897833871 584052686 /nfs/dbraw/zinc/05/26/86/584052686.db2.gz BENMRXPYRYMFEL-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CS[C@@H](C)C1)C(=O)OC ZINC000897834660 584053043 /nfs/dbraw/zinc/05/30/43/584053043.db2.gz VCXYNMNCEFCTOA-LPEHRKFASA-N 1 2 231.361 1.812 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)nn1 ZINC000898046819 584073865 /nfs/dbraw/zinc/07/38/65/584073865.db2.gz YOGAIGOOMVCQBM-CMPLNLGQSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)nn1 ZINC000898046819 584073866 /nfs/dbraw/zinc/07/38/66/584073866.db2.gz YOGAIGOOMVCQBM-CMPLNLGQSA-N 1 2 238.335 1.155 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ccccn1 ZINC000898028375 584077009 /nfs/dbraw/zinc/07/70/09/584077009.db2.gz NOJPAJDWCUTXMZ-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cn(C)cn2)c(C)n1 ZINC000898042799 584080236 /nfs/dbraw/zinc/08/02/36/584080236.db2.gz XTDNDQPOJPJKEE-VIFPVBQESA-N 1 2 245.330 1.678 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)o1 ZINC000898186773 584093966 /nfs/dbraw/zinc/09/39/66/584093966.db2.gz FNKIFVGCFUJNPO-NWDGAFQWSA-N 1 2 227.279 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)o1 ZINC000898186773 584093968 /nfs/dbraw/zinc/09/39/68/584093968.db2.gz FNKIFVGCFUJNPO-NWDGAFQWSA-N 1 2 227.279 1.801 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898187069 584094334 /nfs/dbraw/zinc/09/43/34/584094334.db2.gz CRPURJXSJOXCLL-NEPJUHHUSA-N 1 2 241.310 1.369 20 0 BDADLO CCn1ncnc1C[NH2+]C/C=C/Cl ZINC000898424219 584132125 /nfs/dbraw/zinc/13/21/25/584132125.db2.gz CGZAKQPLYBQCSX-ONEGZZNKSA-N 1 2 200.673 1.140 20 0 BDADLO CC(C)n1ncnc1C[NH2+]C/C=C\Cl ZINC000898428209 584132878 /nfs/dbraw/zinc/13/28/78/584132878.db2.gz HNERZMKOAXSMEC-ARJAWSKDSA-N 1 2 214.700 1.701 20 0 BDADLO COC(=O)c1occc1C[NH2+]C/C=C/Cl ZINC000898434922 584135646 /nfs/dbraw/zinc/13/56/46/584135646.db2.gz YZEARSBXMOLSPU-DUXPYHPUSA-N 1 2 229.663 1.908 20 0 BDADLO c1cc(C[NH2+]CCOC2CCSCC2)[nH]n1 ZINC000898442473 584136847 /nfs/dbraw/zinc/13/68/47/584136847.db2.gz NQPRPKXBFNSKRL-UHFFFAOYSA-N 1 2 241.360 1.412 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCCC2(C)C)c1 ZINC000898628154 584147172 /nfs/dbraw/zinc/14/71/72/584147172.db2.gz RMEMPHOHPWCIEM-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CC(C)C(C)(C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898615813 584147217 /nfs/dbraw/zinc/14/72/17/584147217.db2.gz MGBFWNNLJGFVCF-UHFFFAOYSA-N 1 2 238.335 1.654 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@]2(C)CC=CCC2)c1 ZINC000898619273 584147516 /nfs/dbraw/zinc/14/75/16/584147516.db2.gz JGRZGPYOPXWPEX-ZDUSSCGKSA-N 1 2 248.330 1.718 20 0 BDADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CC(C)(C)C ZINC000898880874 584161580 /nfs/dbraw/zinc/16/15/80/584161580.db2.gz HFWAWQDGNNQGHI-VIFPVBQESA-N 1 2 239.319 1.006 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898897062 584165291 /nfs/dbraw/zinc/16/52/91/584165291.db2.gz ZXAVIROWZGHWIF-NXEZZACHSA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)OCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901969 584165297 /nfs/dbraw/zinc/16/52/97/584165297.db2.gz RAMDOFNQAZFJQU-UHFFFAOYSA-N 1 2 239.319 1.159 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898897063 584165561 /nfs/dbraw/zinc/16/55/61/584165561.db2.gz ZXAVIROWZGHWIF-UWVGGRQHSA-N 1 2 239.319 1.006 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC[C@H]3C)cc2[nH+]1 ZINC000899201878 584181415 /nfs/dbraw/zinc/18/14/15/584181415.db2.gz ZPJPZTPGCUOACI-SNVBAGLBSA-N 1 2 229.283 1.877 20 0 BDADLO CCCC1=NN(C2CC[NH2+]CC2)C(=O)C1 ZINC000899363856 584205512 /nfs/dbraw/zinc/20/55/12/584205512.db2.gz IKDOZDBECCSOAR-UHFFFAOYSA-N 1 2 209.293 1.127 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c[nH+]1 ZINC000899416723 584214910 /nfs/dbraw/zinc/21/49/10/584214910.db2.gz RRKHRBBEGXNOKF-DQDDRIPDSA-N 1 2 233.315 1.740 20 0 BDADLO COCc1cn(-c2ccc3[nH]c(C)[nH+]c3c2)nn1 ZINC000899692351 584225427 /nfs/dbraw/zinc/22/54/27/584225427.db2.gz FRCBPRZGCYXOTQ-UHFFFAOYSA-N 1 2 243.270 1.598 20 0 BDADLO COCc1cn(-c2ccc3[nH+]c(C)[nH]c3c2)nn1 ZINC000899692351 584225428 /nfs/dbraw/zinc/22/54/28/584225428.db2.gz FRCBPRZGCYXOTQ-UHFFFAOYSA-N 1 2 243.270 1.598 20 0 BDADLO CN(CCCF)C(=O)CCc1[nH]cc[nH+]1 ZINC000899811603 584238623 /nfs/dbraw/zinc/23/86/23/584238623.db2.gz OBKQOEDUVGGRLQ-UHFFFAOYSA-N 1 2 213.256 1.160 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C2CC2)CCC1 ZINC000899823598 584240674 /nfs/dbraw/zinc/24/06/74/584240674.db2.gz DNGCETNRFSPBDJ-UHFFFAOYSA-N 1 2 233.315 1.412 20 0 BDADLO CN(Cc1ccco1)C(=O)Cc1c[nH+]c[nH]1 ZINC000899962235 584260276 /nfs/dbraw/zinc/26/02/76/584260276.db2.gz MVXHMLMYEKYLTN-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO Cc1ccnc(NC2CC([NH+]3CCOCC3)C2)n1 ZINC000858600735 588970159 /nfs/dbraw/zinc/97/01/59/588970159.db2.gz UBFRQXBPMIPRGB-UHFFFAOYSA-N 1 2 248.330 1.060 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCc2occc21 ZINC000900112981 584274156 /nfs/dbraw/zinc/27/41/56/584274156.db2.gz IDMCTLCUFXFAOF-NSHDSACASA-N 1 2 245.282 1.739 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCCc2occc21 ZINC000900112981 584274158 /nfs/dbraw/zinc/27/41/58/584274158.db2.gz IDMCTLCUFXFAOF-NSHDSACASA-N 1 2 245.282 1.739 20 0 BDADLO C/C(Cl)=C/C(=O)NCCn1cc[nH+]c1 ZINC000900193551 584284646 /nfs/dbraw/zinc/28/46/46/584284646.db2.gz NGGYPTNJKZCEAG-VURMDHGXSA-N 1 2 213.668 1.142 20 0 BDADLO CN(Cc1ccoc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900321638 584294988 /nfs/dbraw/zinc/29/49/88/584294988.db2.gz VXICOMQRAOYYDL-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900378690 584299522 /nfs/dbraw/zinc/29/95/22/584299522.db2.gz MUTBUDIDOIWATG-NSHDSACASA-N 1 2 221.304 1.599 20 0 BDADLO O=C(CCF)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000900410427 584305144 /nfs/dbraw/zinc/30/51/44/584305144.db2.gz UAKJWMIRNIEEFC-UHFFFAOYSA-N 1 2 248.261 1.243 20 0 BDADLO CC(C)(C)n1cc(NC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900415609 584306057 /nfs/dbraw/zinc/30/60/57/584306057.db2.gz URQHQBDBOGNQNP-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CC(C)(C)n1cc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900415609 584306059 /nfs/dbraw/zinc/30/60/59/584306059.db2.gz URQHQBDBOGNQNP-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000900446414 584311368 /nfs/dbraw/zinc/31/13/68/584311368.db2.gz MUIXCBIZNYKECS-OWPBXUSHSA-N 1 2 249.314 1.400 20 0 BDADLO CC(C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900458898 584313800 /nfs/dbraw/zinc/31/38/00/584313800.db2.gz ADMZSBCLGDQBBF-GFCCVEGCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900486578 584316678 /nfs/dbraw/zinc/31/66/78/584316678.db2.gz ZSKGSNRWWIPCRN-SNVBAGLBSA-N 1 2 219.288 1.362 20 0 BDADLO C/C(=C(\F)C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000900560155 584328732 /nfs/dbraw/zinc/32/87/32/584328732.db2.gz CMDOYVKJQSUOCD-DHZHZOJOSA-N 1 2 237.278 1.690 20 0 BDADLO CC[C@H](O)[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900673247 584339613 /nfs/dbraw/zinc/33/96/13/584339613.db2.gz RNSXHVRRJZSOPG-ONGXEEELSA-N 1 2 222.288 1.157 20 0 BDADLO CCC[C@@H]1SCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900728111 584341987 /nfs/dbraw/zinc/34/19/87/584341987.db2.gz MSNSJBCATWBEAE-NSHDSACASA-N 1 2 239.344 1.654 20 0 BDADLO CC(C)(C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900791912 584351908 /nfs/dbraw/zinc/35/19/08/584351908.db2.gz KMEPSXZZKSUQDD-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC(C)(C)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900791912 584351910 /nfs/dbraw/zinc/35/19/10/584351910.db2.gz KMEPSXZZKSUQDD-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000900818521 584354439 /nfs/dbraw/zinc/35/44/39/584354439.db2.gz LWPWGFQOZMCSKJ-LBPRGKRZSA-N 1 2 244.298 1.615 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000900818521 584354441 /nfs/dbraw/zinc/35/44/41/584354441.db2.gz LWPWGFQOZMCSKJ-LBPRGKRZSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000900832383 584354997 /nfs/dbraw/zinc/35/49/97/584354997.db2.gz WKNMIKMCBSQSHG-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900909308 584365004 /nfs/dbraw/zinc/36/50/04/584365004.db2.gz QHJVZCJMUQFTJW-ONGXEEELSA-N 1 2 221.304 1.599 20 0 BDADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000900984699 584373228 /nfs/dbraw/zinc/37/32/28/584373228.db2.gz ZHEIPHRQOURQBB-UHFFFAOYSA-N 1 2 239.344 1.306 20 0 BDADLO CC(C)C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900995251 584375322 /nfs/dbraw/zinc/37/53/22/584375322.db2.gz XZRZADXQZIXVLP-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)C1(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900995251 584375323 /nfs/dbraw/zinc/37/53/23/584375323.db2.gz XZRZADXQZIXVLP-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC(F)(F)C1 ZINC000901092512 584383507 /nfs/dbraw/zinc/38/35/07/584383507.db2.gz WGFYGAYRXYRMBM-ZETCQYMHSA-N 1 2 229.230 1.256 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCC(F)(F)C1 ZINC000901092512 584383508 /nfs/dbraw/zinc/38/35/08/584383508.db2.gz WGFYGAYRXYRMBM-ZETCQYMHSA-N 1 2 229.230 1.256 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC(F)(F)C1 ZINC000901092511 584383553 /nfs/dbraw/zinc/38/35/53/584383553.db2.gz WGFYGAYRXYRMBM-SSDOTTSWSA-N 1 2 229.230 1.256 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCC(F)(F)C1 ZINC000901092511 584383554 /nfs/dbraw/zinc/38/35/54/584383554.db2.gz WGFYGAYRXYRMBM-SSDOTTSWSA-N 1 2 229.230 1.256 20 0 BDADLO CC[C@H](C)N(OC)C(=O)CNc1cccc[nH+]1 ZINC000901115953 584385917 /nfs/dbraw/zinc/38/59/17/584385917.db2.gz SXYYAYVANQSESQ-JTQLQIEISA-N 1 2 237.303 1.682 20 0 BDADLO CSC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901117362 584386522 /nfs/dbraw/zinc/38/65/22/584386522.db2.gz MUXUIASCEYJWES-SNVBAGLBSA-N 1 2 239.344 1.306 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901147755 584390997 /nfs/dbraw/zinc/39/09/97/584390997.db2.gz JPDXZPIAKKRTRC-RBMBQVQZSA-N 1 2 239.706 1.526 20 0 BDADLO CC(Cl)=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000901147755 584390998 /nfs/dbraw/zinc/39/09/98/584390998.db2.gz JPDXZPIAKKRTRC-RBMBQVQZSA-N 1 2 239.706 1.526 20 0 BDADLO CC(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901189413 584393759 /nfs/dbraw/zinc/39/37/59/584393759.db2.gz KBKSHHIGZFXJBF-UHFFFAOYSA-N 1 2 207.277 1.067 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC12CCCCC2 ZINC000901301354 584419317 /nfs/dbraw/zinc/41/93/17/584419317.db2.gz GUCJFFSOIGRCEA-NSHDSACASA-N 1 2 233.315 1.791 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC12CCCCC2 ZINC000901301354 584419318 /nfs/dbraw/zinc/41/93/18/584419318.db2.gz GUCJFFSOIGRCEA-NSHDSACASA-N 1 2 233.315 1.791 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000901302434 584419504 /nfs/dbraw/zinc/41/95/04/584419504.db2.gz XIGNVDXPTJLXFD-WMSLEYKJSA-N 1 2 235.287 1.010 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000901308257 584420673 /nfs/dbraw/zinc/42/06/73/584420673.db2.gz ZOCLISMMFJFXHF-GXSJLCMTSA-N 1 2 221.304 1.742 20 0 BDADLO Cc1nnnn1Cc1cc(C)cc(C)[nH+]1 ZINC000901508349 584456358 /nfs/dbraw/zinc/45/63/58/584456358.db2.gz MPMTUBUQORVPJJ-UHFFFAOYSA-N 1 2 203.249 1.042 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000858941612 588986730 /nfs/dbraw/zinc/98/67/30/588986730.db2.gz FDOVLQODEMYYPZ-UHFFFAOYSA-N 1 2 244.335 1.233 20 0 BDADLO CCCOC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000858941612 588986732 /nfs/dbraw/zinc/98/67/32/588986732.db2.gz FDOVLQODEMYYPZ-UHFFFAOYSA-N 1 2 244.335 1.233 20 0 BDADLO CCn1c[nH+]cc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000901954779 584508140 /nfs/dbraw/zinc/50/81/40/584508140.db2.gz SAMYRIDHXJOUKJ-UHFFFAOYSA-N 1 2 249.270 1.484 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ccco2)c1 ZINC000902027391 584512855 /nfs/dbraw/zinc/51/28/55/584512855.db2.gz DTGSWHBHMHWTKC-UHFFFAOYSA-N 1 2 205.261 1.786 20 0 BDADLO C[N@@H+](Cc1ccccc1F)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902026905 584513006 /nfs/dbraw/zinc/51/30/06/584513006.db2.gz BOSASWZNXKQKDD-RYUDHWBXSA-N 1 2 248.301 1.693 20 0 BDADLO C[N@H+](Cc1ccccc1F)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902026905 584513008 /nfs/dbraw/zinc/51/30/08/584513008.db2.gz BOSASWZNXKQKDD-RYUDHWBXSA-N 1 2 248.301 1.693 20 0 BDADLO Cc1noc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000902038631 584515741 /nfs/dbraw/zinc/51/57/41/584515741.db2.gz XLNUGEXOOLKJOS-UHFFFAOYSA-N 1 2 207.237 1.330 20 0 BDADLO Cc1[nH]c(CNc2ncccn2)[nH+]c1C ZINC000902054162 584518444 /nfs/dbraw/zinc/51/84/44/584518444.db2.gz SPGJNQSQKQVWNX-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO COCc1cc(NCc2[nH]c(C)c(C)[nH+]2)ncn1 ZINC000902090556 584524603 /nfs/dbraw/zinc/52/46/03/584524603.db2.gz VEYRTMBMBDBOPX-UHFFFAOYSA-N 1 2 247.302 1.575 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)nn1C ZINC000902193786 584536604 /nfs/dbraw/zinc/53/66/04/584536604.db2.gz BMXFOOCVZAGTIU-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO COc1cncnc1NCc1c[nH+]cn1C(C)C ZINC000902218051 584539658 /nfs/dbraw/zinc/53/96/58/584539658.db2.gz LUEMSULNTNHZDO-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCCC(C)(F)F ZINC000902281989 584547229 /nfs/dbraw/zinc/54/72/29/584547229.db2.gz ONMUUPYNFMZDSA-SSDOTTSWSA-N 1 2 224.251 1.955 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1CN1CCOC1=O ZINC000902313904 584555834 /nfs/dbraw/zinc/55/58/34/584555834.db2.gz VCNAWFGVYJAVES-SNVBAGLBSA-N 1 2 240.303 1.040 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1CN1CCOC1=O ZINC000902313904 584555835 /nfs/dbraw/zinc/55/58/35/584555835.db2.gz VCNAWFGVYJAVES-SNVBAGLBSA-N 1 2 240.303 1.040 20 0 BDADLO COC[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)C(C)C ZINC000902384023 584577892 /nfs/dbraw/zinc/57/78/92/584577892.db2.gz XUGMOXNIMSSIPM-MNOVXSKESA-N 1 2 244.335 1.582 20 0 BDADLO O=C(OCCF)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000859058461 588995376 /nfs/dbraw/zinc/99/53/76/588995376.db2.gz WTXYGSCWYASVCC-SECBINFHSA-N 1 2 241.266 1.695 20 0 BDADLO O=C(OCCF)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000859058462 588995550 /nfs/dbraw/zinc/99/55/50/588995550.db2.gz WTXYGSCWYASVCC-VIFPVBQESA-N 1 2 241.266 1.695 20 0 BDADLO CC[C@]1(C)OC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902443503 584598399 /nfs/dbraw/zinc/59/83/99/584598399.db2.gz LUADTIVYYANLJR-LBPRGKRZSA-N 1 2 249.270 1.311 20 0 BDADLO CC(C)Cc1ccccc1CO[NH+]=C(N)CO ZINC000902536841 584628468 /nfs/dbraw/zinc/62/84/68/584628468.db2.gz QLHSWBGONBMGDA-UHFFFAOYSA-N 1 2 236.315 1.876 20 0 BDADLO Cc1ccc(F)c(CO[NH+]=C(N)CO)c1F ZINC000902534279 584633769 /nfs/dbraw/zinc/63/37/69/584633769.db2.gz ALAWRZGQFFCNPJ-UHFFFAOYSA-N 1 2 230.214 1.264 20 0 BDADLO Nc1ccc(Cn2nnc3c2CCCC3)c[nH+]1 ZINC000902574123 584637018 /nfs/dbraw/zinc/63/70/18/584637018.db2.gz UNJWQTQNQSEDJJ-UHFFFAOYSA-N 1 2 229.287 1.182 20 0 BDADLO CCc1c(C)on(CCc2c[nH+]cn2C)c1=O ZINC000902580810 584638712 /nfs/dbraw/zinc/63/87/12/584638712.db2.gz ZRKWUIQXGHFKKO-UHFFFAOYSA-N 1 2 235.287 1.288 20 0 BDADLO CCOCCO[NH+]=C(N)Cc1ccccc1F ZINC000902623697 584640355 /nfs/dbraw/zinc/64/03/55/584640355.db2.gz VGNBKVSIPVBLKI-UHFFFAOYSA-N 1 2 240.278 1.903 20 0 BDADLO O=C(OCCF)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000859100440 589001545 /nfs/dbraw/zinc/00/15/45/589001545.db2.gz DTQCZEAGRPOGBN-QMMMGPOBSA-N 1 2 227.239 1.653 20 0 BDADLO CCn1c[nH+]c(CN[C@H](C)c2csnn2)c1 ZINC000902610033 584642882 /nfs/dbraw/zinc/64/28/82/584642882.db2.gz UVTJSEJFERSUHH-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccccc2NC)n1 ZINC000902622862 584645398 /nfs/dbraw/zinc/64/53/98/584645398.db2.gz QPGKEMSVRIORPD-UHFFFAOYSA-N 1 2 245.330 1.630 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)[C@@H](C)OC ZINC000902717482 584657726 /nfs/dbraw/zinc/65/77/26/584657726.db2.gz PUYWABRATOFVOI-BZJXQOFCSA-N 1 2 216.281 1.112 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)[C@H]1CCCO1 ZINC000902738353 584662709 /nfs/dbraw/zinc/66/27/09/584662709.db2.gz IIPYKBKVZLIYBE-HYHWUIIZSA-N 1 2 228.292 1.257 20 0 BDADLO CCc1ncc(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000902738853 584663061 /nfs/dbraw/zinc/66/30/61/584663061.db2.gz OEARGCGAGAVWIC-SECBINFHSA-N 1 2 239.275 1.414 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccnc(F)c1 ZINC000859073734 588997333 /nfs/dbraw/zinc/99/73/33/588997333.db2.gz NGWVRPNLHZEZHV-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccnc(F)c1 ZINC000859073734 588997334 /nfs/dbraw/zinc/99/73/34/588997334.db2.gz NGWVRPNLHZEZHV-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@H]3CNC(=O)C3)ccc21 ZINC000902781263 584670350 /nfs/dbraw/zinc/67/03/50/584670350.db2.gz LQDXMVSQHCBFGW-SECBINFHSA-N 1 2 245.282 1.088 20 0 BDADLO CO[C@@H](C)COc1ccc2c(c1)[nH+]cn2C ZINC000902781397 584670467 /nfs/dbraw/zinc/67/04/67/584670467.db2.gz RLLRXGFGYFPEDU-VIFPVBQESA-N 1 2 220.272 1.987 20 0 BDADLO COc1cc[nH+]cc1NC(=O)OC1COC1 ZINC000902834454 584679242 /nfs/dbraw/zinc/67/92/42/584679242.db2.gz BAAKLBFQYOPGIM-UHFFFAOYSA-N 1 2 224.216 1.038 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cn(C)nn1 ZINC000902882660 584688129 /nfs/dbraw/zinc/68/81/29/584688129.db2.gz YEUBDFRJZCWVTO-WCBMZHEXSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cn(C)nn1 ZINC000902882660 584688131 /nfs/dbraw/zinc/68/81/31/584688131.db2.gz YEUBDFRJZCWVTO-WCBMZHEXSA-N 1 2 246.318 1.266 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001560 584715587 /nfs/dbraw/zinc/71/55/87/584715587.db2.gz PGVMXRZUWQRYBC-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001560 584715589 /nfs/dbraw/zinc/71/55/89/584715589.db2.gz PGVMXRZUWQRYBC-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903002034 584716310 /nfs/dbraw/zinc/71/63/10/584716310.db2.gz UOUIJEACDNZGKF-MNOVXSKESA-N 1 2 230.327 1.677 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903002034 584716312 /nfs/dbraw/zinc/71/63/12/584716312.db2.gz UOUIJEACDNZGKF-MNOVXSKESA-N 1 2 230.327 1.677 20 0 BDADLO Cn1nc(C[N@H+](C)[C@@H]2CCOC2)cc1Cl ZINC000859130342 589006720 /nfs/dbraw/zinc/00/67/20/589006720.db2.gz FTHPRTGUQSQMGZ-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1nc(C[N@@H+](C)[C@@H]2CCOC2)cc1Cl ZINC000859130342 589006722 /nfs/dbraw/zinc/00/67/22/589006722.db2.gz FTHPRTGUQSQMGZ-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO COc1cc([C@@H](C)NCc2cn(C)c[nH+]2)on1 ZINC000903351190 584755377 /nfs/dbraw/zinc/75/53/77/584755377.db2.gz IPGZWAUAJXANAB-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cn(C)cn2)on1 ZINC000903351190 584755378 /nfs/dbraw/zinc/75/53/78/584755378.db2.gz IPGZWAUAJXANAB-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO C[C@H](c1noc([C@H](C)[NH+](C)C)n1)[C@H]1CCCO1 ZINC000903816699 584800802 /nfs/dbraw/zinc/80/08/02/584800802.db2.gz OZQVWZMIXNAEQJ-LPEHRKFASA-N 1 2 239.319 1.975 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@H]2C2CC2)n1 ZINC000904075975 584839609 /nfs/dbraw/zinc/83/96/09/584839609.db2.gz ULJVRVFNNNZEOK-KOLCDFICSA-N 1 2 237.303 1.462 20 0 BDADLO C[C@H](OC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000904087157 584840812 /nfs/dbraw/zinc/84/08/12/584840812.db2.gz ZWNPSQFKUGRJTD-CYNONHLPSA-N 1 2 220.272 1.775 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(COC(C)C)n1 ZINC000904271891 584858488 /nfs/dbraw/zinc/85/84/88/584858488.db2.gz DNBMTJBTTHBVDH-UHFFFAOYSA-N 1 2 248.286 1.947 20 0 BDADLO COCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904258227 584859405 /nfs/dbraw/zinc/85/94/05/584859405.db2.gz JQXILTUPMIENNY-UHFFFAOYSA-N 1 2 234.259 1.211 20 0 BDADLO COC(C)(C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904261930 584859467 /nfs/dbraw/zinc/85/94/67/584859467.db2.gz SBASVOCYVSEIDH-UHFFFAOYSA-N 1 2 248.286 1.904 20 0 BDADLO CC(C)OC1CN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000828216275 584902165 /nfs/dbraw/zinc/90/21/65/584902165.db2.gz OQGTXERCFNGCDL-SNAWJCMRSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761079900 584909029 /nfs/dbraw/zinc/90/90/29/584909029.db2.gz CPWLYNUZOAYTNG-ZJUUUORDSA-N 1 2 234.303 1.059 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761079900 584909030 /nfs/dbraw/zinc/90/90/30/584909030.db2.gz CPWLYNUZOAYTNG-ZJUUUORDSA-N 1 2 234.303 1.059 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761092382 584909595 /nfs/dbraw/zinc/90/95/95/584909595.db2.gz MOOMXVHLTOHYGF-USWWRNFRSA-N 1 2 232.283 1.390 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761092382 584909596 /nfs/dbraw/zinc/90/95/96/584909596.db2.gz MOOMXVHLTOHYGF-USWWRNFRSA-N 1 2 232.283 1.390 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC000754096698 584913106 /nfs/dbraw/zinc/91/31/06/584913106.db2.gz CXRWTBRENWUFHB-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000754096698 584913107 /nfs/dbraw/zinc/91/31/07/584913107.db2.gz CXRWTBRENWUFHB-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](CCO)C2CC2)no1 ZINC000763062468 584919873 /nfs/dbraw/zinc/91/98/73/584919873.db2.gz FAHGZMUPQZZNRT-SNVBAGLBSA-N 1 2 239.319 1.444 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc[nH]c1=S ZINC000731856902 584929753 /nfs/dbraw/zinc/92/97/53/584929753.db2.gz WPNOLTLERRATES-UHFFFAOYSA-N 1 2 248.311 1.366 20 0 BDADLO CCOCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907378 584930977 /nfs/dbraw/zinc/93/09/77/584930977.db2.gz GCNLLRKYHFVHDI-UHFFFAOYSA-N 1 2 234.255 1.528 20 0 BDADLO CC(C)c1ocnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732093806 584933785 /nfs/dbraw/zinc/93/37/85/584933785.db2.gz LJLCGNVNCRVYED-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO C/C=C(\CC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800213295 584944317 /nfs/dbraw/zinc/94/43/17/584944317.db2.gz WPKXOICIDNABCO-ZFSPTPKQSA-N 1 2 241.331 1.607 20 0 BDADLO C/C=C(\CC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800213295 584944318 /nfs/dbraw/zinc/94/43/18/584944318.db2.gz WPKXOICIDNABCO-ZFSPTPKQSA-N 1 2 241.331 1.607 20 0 BDADLO COc1cccc(C[N@H+](C)CN2CCCC2=O)c1 ZINC000733289699 584945854 /nfs/dbraw/zinc/94/58/54/584945854.db2.gz OYEYNKQYBVRQHA-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO COc1cccc(C[N@@H+](C)CN2CCCC2=O)c1 ZINC000733289699 584945855 /nfs/dbraw/zinc/94/58/55/584945855.db2.gz OYEYNKQYBVRQHA-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C/C=C\Cl ZINC000733614461 584951302 /nfs/dbraw/zinc/95/13/02/584951302.db2.gz PCBGSXZITLGUMZ-CDLGPUQVSA-N 1 2 239.768 1.492 20 0 BDADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C\Cl ZINC000733614461 584951303 /nfs/dbraw/zinc/95/13/03/584951303.db2.gz PCBGSXZITLGUMZ-CDLGPUQVSA-N 1 2 239.768 1.492 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733996024 584956229 /nfs/dbraw/zinc/95/62/29/584956229.db2.gz PJJLDNNYRLMFBA-GFCCVEGCSA-N 1 2 225.263 1.190 20 0 BDADLO Cc1nonc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000734148611 584957579 /nfs/dbraw/zinc/95/75/79/584957579.db2.gz BXXCCTDSQCPVIG-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO C[C@@H](C(=O)NC1=[NH+]CCS1)C(C)(C)C ZINC000734387819 584961863 /nfs/dbraw/zinc/96/18/63/584961863.db2.gz UVTDKEQOYHEOQD-ZETCQYMHSA-N 1 2 214.334 1.888 20 0 BDADLO Cc1nonc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000735674738 584980614 /nfs/dbraw/zinc/98/06/14/584980614.db2.gz TWLAYBOADUUMSW-IUCAKERBSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nonc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000735674738 584980615 /nfs/dbraw/zinc/98/06/15/584980615.db2.gz TWLAYBOADUUMSW-IUCAKERBSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nonc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000735674736 584980694 /nfs/dbraw/zinc/98/06/94/584980694.db2.gz TWLAYBOADUUMSW-BDAKNGLRSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nonc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000735674736 584980695 /nfs/dbraw/zinc/98/06/95/584980695.db2.gz TWLAYBOADUUMSW-BDAKNGLRSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nonc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000735674737 584980765 /nfs/dbraw/zinc/98/07/65/584980765.db2.gz TWLAYBOADUUMSW-DTWKUNHWSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nonc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000735674737 584980766 /nfs/dbraw/zinc/98/07/66/584980766.db2.gz TWLAYBOADUUMSW-DTWKUNHWSA-N 1 2 227.333 1.704 20 0 BDADLO c1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)no1 ZINC000735920082 584984372 /nfs/dbraw/zinc/98/43/72/584984372.db2.gz NAFXPIHHTUWAMD-NSHDSACASA-N 1 2 238.287 1.402 20 0 BDADLO c1cc(C[N@H+]2CCCC[C@H]2C2OCCO2)no1 ZINC000735920082 584984373 /nfs/dbraw/zinc/98/43/73/584984373.db2.gz NAFXPIHHTUWAMD-NSHDSACASA-N 1 2 238.287 1.402 20 0 BDADLO Cc1noc([C@H](C)O[NH+]=C(N)COC(C)C)n1 ZINC000736299188 584996336 /nfs/dbraw/zinc/99/63/36/584996336.db2.gz GZELXXCXACFPGS-ZETCQYMHSA-N 1 2 242.279 1.362 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107655 585023662 /nfs/dbraw/zinc/02/36/62/585023662.db2.gz OREZFPHQXHISAG-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO CC(=O)CCCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788081286 585027201 /nfs/dbraw/zinc/02/72/01/585027201.db2.gz PLYTYRJIXNMYAP-NSHDSACASA-N 1 2 245.294 1.333 20 0 BDADLO CC(=O)CCCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788081286 585027202 /nfs/dbraw/zinc/02/72/02/585027202.db2.gz PLYTYRJIXNMYAP-NSHDSACASA-N 1 2 245.294 1.333 20 0 BDADLO Cc1nc(N2[C@@H](C)CC[C@@H]2C)nc(N)[nH+]1 ZINC000631162535 585028440 /nfs/dbraw/zinc/02/84/40/585028440.db2.gz BNXMHZPHKUVKII-BQBZGAKWSA-N 1 2 207.281 1.139 20 0 BDADLO Cc1nc(N)nc(N2[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC000631162535 585028441 /nfs/dbraw/zinc/02/84/41/585028441.db2.gz BNXMHZPHKUVKII-BQBZGAKWSA-N 1 2 207.281 1.139 20 0 BDADLO Cc1nc(N2[C@H](C)CC[C@@H]2C)nc(N)[nH+]1 ZINC000631162536 585028447 /nfs/dbraw/zinc/02/84/47/585028447.db2.gz BNXMHZPHKUVKII-KNVOCYPGSA-N 1 2 207.281 1.139 20 0 BDADLO Cc1nc(N)nc(N2[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000631162536 585028448 /nfs/dbraw/zinc/02/84/48/585028448.db2.gz BNXMHZPHKUVKII-KNVOCYPGSA-N 1 2 207.281 1.139 20 0 BDADLO C/C=C/C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000737845158 585038676 /nfs/dbraw/zinc/03/86/76/585038676.db2.gz WXWIZEXRTKXVRJ-HWKANZROSA-N 1 2 229.283 1.835 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccccc1 ZINC000788085786 585039295 /nfs/dbraw/zinc/03/92/95/585039295.db2.gz WVKPBQVXQSFARP-LBPRGKRZSA-N 1 2 237.274 1.887 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccccc1 ZINC000788085786 585039296 /nfs/dbraw/zinc/03/92/96/585039296.db2.gz WVKPBQVXQSFARP-LBPRGKRZSA-N 1 2 237.274 1.887 20 0 BDADLO CC(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788085791 585039304 /nfs/dbraw/zinc/03/93/04/585039304.db2.gz WYENYNNPSJPSBR-SECBINFHSA-N 1 2 217.284 1.620 20 0 BDADLO CC(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788085791 585039305 /nfs/dbraw/zinc/03/93/05/585039305.db2.gz WYENYNNPSJPSBR-SECBINFHSA-N 1 2 217.284 1.620 20 0 BDADLO CC/C(C)=C/C(=O)OCC[NH+]1CCOCC1 ZINC000838040552 585043124 /nfs/dbraw/zinc/04/31/24/585043124.db2.gz KUNINPCWCSBESA-ZHACJKMWSA-N 1 2 227.304 1.218 20 0 BDADLO Cc1nonc1C[N@H+]1CCSC[C@H]1C ZINC000738339858 585043323 /nfs/dbraw/zinc/04/33/23/585043323.db2.gz KRPUDHGHQQKBQH-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nonc1C[N@@H+]1CCSC[C@H]1C ZINC000738339858 585043324 /nfs/dbraw/zinc/04/33/24/585043324.db2.gz KRPUDHGHQQKBQH-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)C1CCC1 ZINC000838386054 585055589 /nfs/dbraw/zinc/05/55/89/585055589.db2.gz CZKZVWBTJVZWQX-SNVBAGLBSA-N 1 2 222.288 1.863 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1[nH]ccc1C1CC1 ZINC000838463706 585059061 /nfs/dbraw/zinc/05/90/61/585059061.db2.gz RLSCSJVJBHGHKT-UHFFFAOYSA-N 1 2 245.282 1.946 20 0 BDADLO Cc1cc(C)c(CNC(=O)NOCC2CC2)c[nH+]1 ZINC000838613611 585062764 /nfs/dbraw/zinc/06/27/64/585062764.db2.gz HRCFNZRIVNLVQS-UHFFFAOYSA-N 1 2 249.314 1.839 20 0 BDADLO CC(C)C1(NC(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000838632141 585064074 /nfs/dbraw/zinc/06/40/74/585064074.db2.gz CFWAFBOZEZUZAO-SNVBAGLBSA-N 1 2 248.330 1.816 20 0 BDADLO CCn1ncc(C[NH+]2CCC(C(F)F)CC2)n1 ZINC000838844091 585074037 /nfs/dbraw/zinc/07/40/37/585074037.db2.gz VFQPGQPFWWUSJR-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO CCn1ncc(C[N@@H+]2CCSC(C)(C)C2)n1 ZINC000838841458 585074242 /nfs/dbraw/zinc/07/42/42/585074242.db2.gz DYIYXFYQMWLMQZ-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO CCn1ncc(C[N@H+]2CCSC(C)(C)C2)n1 ZINC000838841458 585074243 /nfs/dbraw/zinc/07/42/43/585074243.db2.gz DYIYXFYQMWLMQZ-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO Cc1nnc(NC(=O)CCCn2cc[nH+]c2C)[nH]1 ZINC000103258261 585082013 /nfs/dbraw/zinc/08/20/13/585082013.db2.gz QGUBMWYCNKEWGY-UHFFFAOYSA-N 1 2 248.290 1.037 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnccn2)C[C@@H]1F ZINC000838996797 585085266 /nfs/dbraw/zinc/08/52/66/585085266.db2.gz ZWVJRSYDDOOVRC-KOLCDFICSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnccn2)C[C@@H]1F ZINC000838996797 585085267 /nfs/dbraw/zinc/08/52/67/585085267.db2.gz ZWVJRSYDDOOVRC-KOLCDFICSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@]1([NH2+]CCOCC2CCCC2)CCOC1=O ZINC000839021669 585087560 /nfs/dbraw/zinc/08/75/60/585087560.db2.gz OWXUHCPMEBDIOU-ZDUSSCGKSA-N 1 2 241.331 1.488 20 0 BDADLO CCn1nccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839132966 585093986 /nfs/dbraw/zinc/09/39/86/585093986.db2.gz NZVVPCKJVYCIHN-UHFFFAOYSA-N 1 2 223.320 1.106 20 0 BDADLO Cc1ccc([C@@H](O)CNc2cc(C)[nH+]cn2)o1 ZINC000741242176 585111345 /nfs/dbraw/zinc/11/13/45/585111345.db2.gz GCOUZPJCNFIJDG-JTQLQIEISA-N 1 2 233.271 1.832 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000742193423 585122823 /nfs/dbraw/zinc/12/28/23/585122823.db2.gz BPPHRVNCAGFOQW-VIFPVBQESA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000742193423 585122824 /nfs/dbraw/zinc/12/28/24/585122824.db2.gz BPPHRVNCAGFOQW-VIFPVBQESA-N 1 2 238.356 1.833 20 0 BDADLO C/C(=C/C(=O)NCc1c[nH+]c(C)nc1N)C1CC1 ZINC000808098317 585133894 /nfs/dbraw/zinc/13/38/94/585133894.db2.gz KCQYUXSMMQYFFW-YVMONPNESA-N 1 2 246.314 1.340 20 0 BDADLO Cn1cnn(C[N@@H+]2CCC(C)(C)C2)c1=S ZINC000743391373 585136541 /nfs/dbraw/zinc/13/65/41/585136541.db2.gz SFLPZKGSLZSJNM-UHFFFAOYSA-N 1 2 226.349 1.640 20 0 BDADLO Cn1cnn(C[N@H+]2CCC(C)(C)C2)c1=S ZINC000743391373 585136542 /nfs/dbraw/zinc/13/65/42/585136542.db2.gz SFLPZKGSLZSJNM-UHFFFAOYSA-N 1 2 226.349 1.640 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1noc(C)n1 ZINC000744194860 585145755 /nfs/dbraw/zinc/14/57/55/585145755.db2.gz XWUKCHACIGXCBE-UHFFFAOYSA-N 1 2 246.314 1.838 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1noc(C)n1 ZINC000744194860 585145756 /nfs/dbraw/zinc/14/57/56/585145756.db2.gz XWUKCHACIGXCBE-UHFFFAOYSA-N 1 2 246.314 1.838 20 0 BDADLO Cc1nonc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000744423547 585150331 /nfs/dbraw/zinc/15/03/31/585150331.db2.gz JYYFPCCLGHYEFD-NSHDSACASA-N 1 2 241.360 1.951 20 0 BDADLO Cc1nonc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000744423547 585150332 /nfs/dbraw/zinc/15/03/32/585150332.db2.gz JYYFPCCLGHYEFD-NSHDSACASA-N 1 2 241.360 1.951 20 0 BDADLO CC(=O)CCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082668 585156162 /nfs/dbraw/zinc/15/61/62/585156162.db2.gz QIIHBQHQBLVYAW-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CC(=O)CCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082668 585156163 /nfs/dbraw/zinc/15/61/63/585156163.db2.gz QIIHBQHQBLVYAW-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CC[N@H+](C)[C@H](C(=O)OCCO)c1ccccc1 ZINC000745099125 585156922 /nfs/dbraw/zinc/15/69/22/585156922.db2.gz HZIWXZBJAATEAO-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@@H+](C)[C@H](C(=O)OCCO)c1ccccc1 ZINC000745099125 585156923 /nfs/dbraw/zinc/15/69/23/585156923.db2.gz HZIWXZBJAATEAO-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO C[C@H](CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000746243404 585166351 /nfs/dbraw/zinc/16/63/51/585166351.db2.gz VNUHLPMQUSABBA-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cn1ccsc1=O ZINC000746615993 585171077 /nfs/dbraw/zinc/17/10/77/585171077.db2.gz SZUCNMOIJKKXCY-MRVPVSSYSA-N 1 2 230.358 1.305 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cn1ccsc1=O ZINC000746615993 585171078 /nfs/dbraw/zinc/17/10/78/585171078.db2.gz SZUCNMOIJKKXCY-MRVPVSSYSA-N 1 2 230.358 1.305 20 0 BDADLO CC1(C)C[N@H+](Cn2ccsc2=O)CCCO1 ZINC000746619755 585171236 /nfs/dbraw/zinc/17/12/36/585171236.db2.gz LRMRSDJVJBYKBO-UHFFFAOYSA-N 1 2 242.344 1.368 20 0 BDADLO CC1(C)C[N@@H+](Cn2ccsc2=O)CCCO1 ZINC000746619755 585171237 /nfs/dbraw/zinc/17/12/37/585171237.db2.gz LRMRSDJVJBYKBO-UHFFFAOYSA-N 1 2 242.344 1.368 20 0 BDADLO Cc1cnc([C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000789605053 585172656 /nfs/dbraw/zinc/17/26/56/585172656.db2.gz DNXSJROLLSZMFF-RKDXNWHRSA-N 1 2 239.275 1.721 20 0 BDADLO CSC=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000747108483 585175192 /nfs/dbraw/zinc/17/51/92/585175192.db2.gz SXKDJCAWRHWEEQ-SNAWJCMRSA-N 1 2 222.313 1.936 20 0 BDADLO Cc1nnc([C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000789612831 585177386 /nfs/dbraw/zinc/17/73/86/585177386.db2.gz VNWSRLXMNCGBHS-XPUUQOCRSA-N 1 2 240.263 1.116 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@H]1CC12CCCC2 ZINC000747295879 585177556 /nfs/dbraw/zinc/17/75/56/585177556.db2.gz ZVIDJLYFKUSSBP-MRVPVSSYSA-N 1 2 224.329 1.786 20 0 BDADLO [O-]C1=C[NH+]=C(NNc2[nH+]cccc2Cl)C1 ZINC000747633039 585181449 /nfs/dbraw/zinc/18/14/49/585181449.db2.gz KNWKVFGHHCORRC-UHFFFAOYSA-N 1 2 224.651 1.506 20 0 BDADLO CNC(=S)NCCc1cn2cccc(C)c2[nH+]1 ZINC000747657260 585181964 /nfs/dbraw/zinc/18/19/64/585181964.db2.gz FRDBLBPCNNCTTG-UHFFFAOYSA-N 1 2 248.355 1.279 20 0 BDADLO C[C@@H](CC(=O)OCc1c[nH+]cn1C)n1cccc1 ZINC000747782774 585184381 /nfs/dbraw/zinc/18/43/81/585184381.db2.gz KILYCOGBLMSKJD-NSHDSACASA-N 1 2 247.298 1.916 20 0 BDADLO CCCNC(=S)Nc1c[nH+]ccc1OC ZINC000748159584 585188431 /nfs/dbraw/zinc/18/84/31/585188431.db2.gz ZBOPTIOKMXGDQQ-UHFFFAOYSA-N 1 2 225.317 1.787 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CCS(C)(=O)=O ZINC000748305493 585190317 /nfs/dbraw/zinc/19/03/17/585190317.db2.gz MNKLZGDAWRIXGN-UHFFFAOYSA-N 1 2 247.282 1.305 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CCS(C)(=O)=O ZINC000748305493 585190318 /nfs/dbraw/zinc/19/03/18/585190318.db2.gz MNKLZGDAWRIXGN-UHFFFAOYSA-N 1 2 247.282 1.305 20 0 BDADLO CCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000748987659 585197884 /nfs/dbraw/zinc/19/78/84/585197884.db2.gz VQWIKLBIMMMWMR-SNVBAGLBSA-N 1 2 249.314 1.448 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)c1ccoc1 ZINC000789791528 585200905 /nfs/dbraw/zinc/20/09/05/585200905.db2.gz LHOJFHOJVDOQHM-UHFFFAOYSA-N 1 2 234.255 1.803 20 0 BDADLO C[C@H]1C[N@H+](Cc2nncn2C)Cc2ccccc21 ZINC000750518846 585216593 /nfs/dbraw/zinc/21/65/93/585216593.db2.gz YTWQLFLVDJNZOG-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nncn2C)Cc2ccccc21 ZINC000750518846 585216594 /nfs/dbraw/zinc/21/65/94/585216594.db2.gz YTWQLFLVDJNZOG-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C/C=C(\C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000751196074 585225637 /nfs/dbraw/zinc/22/56/37/585225637.db2.gz YPJZOWXPOAYJCK-XCVCLJGOSA-N 1 2 229.283 1.917 20 0 BDADLO CO[C@@H]1CC[N@H+](CC(=O)OCc2ccccc2)C1 ZINC000752087299 585241780 /nfs/dbraw/zinc/24/17/80/585241780.db2.gz DLNPCOARIQNMFG-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO CO[C@@H]1CC[N@@H+](CC(=O)OCc2ccccc2)C1 ZINC000752087299 585241781 /nfs/dbraw/zinc/24/17/81/585241781.db2.gz DLNPCOARIQNMFG-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@@H](OC)C2)o1 ZINC000752089831 585242068 /nfs/dbraw/zinc/24/20/68/585242068.db2.gz ZLYBRZJMRXTWJQ-SNVBAGLBSA-N 1 2 210.277 1.458 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@@H](OC)C2)o1 ZINC000752089831 585242069 /nfs/dbraw/zinc/24/20/69/585242069.db2.gz ZLYBRZJMRXTWJQ-SNVBAGLBSA-N 1 2 210.277 1.458 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000752313901 585244612 /nfs/dbraw/zinc/24/46/12/585244612.db2.gz IBIBFCVKAGWDCH-CHWSQXEVSA-N 1 2 231.295 1.619 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000752313901 585244613 /nfs/dbraw/zinc/24/46/13/585244613.db2.gz IBIBFCVKAGWDCH-CHWSQXEVSA-N 1 2 231.295 1.619 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000753612429 585264226 /nfs/dbraw/zinc/26/42/26/585264226.db2.gz VRBIGBOUCBNFTA-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000753612429 585264227 /nfs/dbraw/zinc/26/42/27/585264227.db2.gz VRBIGBOUCBNFTA-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)cn1 ZINC000753638587 585265477 /nfs/dbraw/zinc/26/54/77/585265477.db2.gz VSHJJTSXMUZALO-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000753716502 585267060 /nfs/dbraw/zinc/26/70/60/585267060.db2.gz YCBDXZRAMFUTBR-BQBZGAKWSA-N 1 2 236.237 1.290 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000753716502 585267061 /nfs/dbraw/zinc/26/70/61/585267061.db2.gz YCBDXZRAMFUTBR-BQBZGAKWSA-N 1 2 236.237 1.290 20 0 BDADLO COC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753732277 585267387 /nfs/dbraw/zinc/26/73/87/585267387.db2.gz BRZYNHGVJMNYHH-SECBINFHSA-N 1 2 221.260 1.016 20 0 BDADLO CCN1CC[N@H+](CCC(=O)C(C)(C)C)CC1=O ZINC000753766837 585268372 /nfs/dbraw/zinc/26/83/72/585268372.db2.gz ZFTVXWCJBRULCL-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCN1CC[N@@H+](CCC(=O)C(C)(C)C)CC1=O ZINC000753766837 585268373 /nfs/dbraw/zinc/26/83/73/585268373.db2.gz ZFTVXWCJBRULCL-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO Cc1c(Cl)cnn1C[NH+]1CCC(C)(O)CC1 ZINC000753796014 585269420 /nfs/dbraw/zinc/26/94/20/585269420.db2.gz OBIOBQPGFMVGRM-UHFFFAOYSA-N 1 2 243.738 1.649 20 0 BDADLO C[C@H]1COCC[N@H+](CN2CCSC2=O)C1 ZINC000753987228 585274132 /nfs/dbraw/zinc/27/41/32/585274132.db2.gz UDPUFUGYIDHVHX-SECBINFHSA-N 1 2 230.333 1.081 20 0 BDADLO C[C@H]1COCC[N@@H+](CN2CCSC2=O)C1 ZINC000753987228 585274133 /nfs/dbraw/zinc/27/41/33/585274133.db2.gz UDPUFUGYIDHVHX-SECBINFHSA-N 1 2 230.333 1.081 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000754185965 585280077 /nfs/dbraw/zinc/28/00/77/585280077.db2.gz WZRSIYGZGPZVTL-GHMZBOCLSA-N 1 2 236.315 1.446 20 0 BDADLO CCC/C=C/C(=O)NCc1[nH]c[nH+]c1C ZINC000754355772 585283132 /nfs/dbraw/zinc/28/31/32/585283132.db2.gz RUPMXCFOZLYGAD-AATRIKPKSA-N 1 2 207.277 1.691 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCc1ccoc1 ZINC000754687571 585289580 /nfs/dbraw/zinc/28/95/80/585289580.db2.gz QUARQWROVZNSAQ-UHFFFAOYSA-N 1 2 234.255 1.689 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2ccsc2=O)CCS1 ZINC000754881043 585292010 /nfs/dbraw/zinc/29/20/10/585292010.db2.gz DQMFNZABOHXUER-SECBINFHSA-N 1 2 244.385 1.695 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2ccsc2=O)CCS1 ZINC000754881043 585292011 /nfs/dbraw/zinc/29/20/11/585292011.db2.gz DQMFNZABOHXUER-SECBINFHSA-N 1 2 244.385 1.695 20 0 BDADLO Cc1cc(NC(=O)c2csc(C=O)c2)cc[nH+]1 ZINC000755010064 585293187 /nfs/dbraw/zinc/29/31/87/585293187.db2.gz YSEGLARLTUQWED-UHFFFAOYSA-N 1 2 246.291 1.938 20 0 BDADLO CCC1(C(=O)NCCNc2cccc[nH+]2)COC1 ZINC000755688028 585304259 /nfs/dbraw/zinc/30/42/59/585304259.db2.gz WLNZHSQJLAIPLV-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO CN(C)c1cc(COC(=O)c2cocn2)cc[nH+]1 ZINC000755883510 585309351 /nfs/dbraw/zinc/30/93/51/585309351.db2.gz BKOZIJCDHBCFSU-UHFFFAOYSA-N 1 2 247.254 1.493 20 0 BDADLO C[C@@H](O)CC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000839565054 585330280 /nfs/dbraw/zinc/33/02/80/585330280.db2.gz VAWRZYJJQYNGRF-SNVBAGLBSA-N 1 2 239.290 1.100 20 0 BDADLO CN(C)C(=O)C1([NH2+]C/C(Cl)=C/Cl)CC1 ZINC000839631708 585333036 /nfs/dbraw/zinc/33/30/36/585333036.db2.gz AZISWJNRCDKYHJ-ALCCZGGFSA-N 1 2 237.130 1.516 20 0 BDADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(F)(F)F ZINC000758330031 585354212 /nfs/dbraw/zinc/35/42/12/585354212.db2.gz GZTODWZUQQRSMR-HTRCEHHLSA-N 1 2 236.237 1.148 20 0 BDADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(F)(F)F ZINC000758330031 585354213 /nfs/dbraw/zinc/35/42/13/585354213.db2.gz GZTODWZUQQRSMR-HTRCEHHLSA-N 1 2 236.237 1.148 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1CC(C)(C)CC1=O ZINC000808168744 585364034 /nfs/dbraw/zinc/36/40/34/585364034.db2.gz OYGOEGWKXARFTM-UHFFFAOYSA-N 1 2 249.358 1.673 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1CC(C)(C)CC1=O ZINC000808168744 585364035 /nfs/dbraw/zinc/36/40/35/585364035.db2.gz OYGOEGWKXARFTM-UHFFFAOYSA-N 1 2 249.358 1.673 20 0 BDADLO C/C=C/C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000759206274 585365599 /nfs/dbraw/zinc/36/55/99/585365599.db2.gz BGGCBOHIFRQION-ONEGZZNKSA-N 1 2 246.314 1.010 20 0 BDADLO FCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000759342450 585367293 /nfs/dbraw/zinc/36/72/93/585367293.db2.gz JJYRXHKKEWSRRD-UHFFFAOYSA-N 1 2 238.188 1.082 20 0 BDADLO FCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000759342450 585367294 /nfs/dbraw/zinc/36/72/94/585367294.db2.gz JJYRXHKKEWSRRD-UHFFFAOYSA-N 1 2 238.188 1.082 20 0 BDADLO C/C=C\C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759470493 585373722 /nfs/dbraw/zinc/37/37/22/585373722.db2.gz SEDLTGYTKYOMEI-WGPFEIJOSA-N 1 2 233.315 1.869 20 0 BDADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000760740021 585396623 /nfs/dbraw/zinc/39/66/23/585396623.db2.gz QNVPMJXSLWKZML-NSHDSACASA-N 1 2 246.314 1.869 20 0 BDADLO Cc1cc(=O)[nH]c(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000760897945 585401561 /nfs/dbraw/zinc/40/15/61/585401561.db2.gz YPPWHRBSCKDMIF-SNVBAGLBSA-N 1 2 237.303 1.101 20 0 BDADLO Cc1cc(=O)[nH]c(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000760897945 585401562 /nfs/dbraw/zinc/40/15/62/585401562.db2.gz YPPWHRBSCKDMIF-SNVBAGLBSA-N 1 2 237.303 1.101 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000761128549 585410947 /nfs/dbraw/zinc/41/09/47/585410947.db2.gz WRVLMYJZLWFTJX-SBKJXLNCSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000761128549 585410948 /nfs/dbraw/zinc/41/09/48/585410948.db2.gz WRVLMYJZLWFTJX-SBKJXLNCSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc[nH]1 ZINC000762194483 585428774 /nfs/dbraw/zinc/42/87/74/585428774.db2.gz JCKFCATVFFIBRV-VIFPVBQESA-N 1 2 218.260 1.089 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCC(C)C ZINC000762213351 585429212 /nfs/dbraw/zinc/42/92/12/585429212.db2.gz ZKVVGNMQKSVMSP-UHFFFAOYSA-N 1 2 243.351 1.836 20 0 BDADLO CS/C=C/c1nc(Cc2c[nH+]cn2C)no1 ZINC000762411040 585431770 /nfs/dbraw/zinc/43/17/70/585431770.db2.gz LWTTUQTYZUNCAQ-ONEGZZNKSA-N 1 2 236.300 1.728 20 0 BDADLO Cc1noc(OCc2cc[nH+]c(N(C)C)c2)n1 ZINC000762472854 585432524 /nfs/dbraw/zinc/43/25/24/585432524.db2.gz BEWVBEMNSOJAPM-UHFFFAOYSA-N 1 2 234.259 1.418 20 0 BDADLO CS/C=C\C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762560292 585434201 /nfs/dbraw/zinc/43/42/01/585434201.db2.gz BPRILVGLGLJUOR-CLTKARDFSA-N 1 2 247.323 1.827 20 0 BDADLO COc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000763116175 585443105 /nfs/dbraw/zinc/44/31/05/585443105.db2.gz PEXLBJXBOWRQCV-UHFFFAOYSA-N 1 2 246.266 1.749 20 0 BDADLO Cc1occc1C(=O)OCCn1cc[nH+]c1 ZINC000763114777 585443362 /nfs/dbraw/zinc/44/33/62/585443362.db2.gz VTYRTNBWDKWKDX-UHFFFAOYSA-N 1 2 220.228 1.642 20 0 BDADLO O=C(OCC1CC1)c1ccc2[nH+]ccn2c1 ZINC000763974298 585458008 /nfs/dbraw/zinc/45/80/08/585458008.db2.gz XOHQKFKUWIBORC-UHFFFAOYSA-N 1 2 216.240 1.901 20 0 BDADLO CC[C@H](C)N(OC)C(=O)CCn1cc[nH+]c1 ZINC000764816680 585474609 /nfs/dbraw/zinc/47/46/09/585474609.db2.gz HNCXZNVAZBGATK-JTQLQIEISA-N 1 2 225.292 1.462 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000764895956 585477318 /nfs/dbraw/zinc/47/73/18/585477318.db2.gz LWHNTUYUVUHZHZ-MWLCHTKSSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000764895956 585477319 /nfs/dbraw/zinc/47/73/19/585477319.db2.gz LWHNTUYUVUHZHZ-MWLCHTKSSA-N 1 2 247.342 1.819 20 0 BDADLO CCC=C(C)C(=O)Nc1cc[nH+]cc1O ZINC000765424281 585486138 /nfs/dbraw/zinc/48/61/38/585486138.db2.gz FJRXPNJLDCRPNT-XBXARRHUSA-N 1 2 206.245 1.504 20 0 BDADLO CC=C(C=CC(=O)NCc1c[nH+]c[nH]1)CC ZINC000765619158 585491353 /nfs/dbraw/zinc/49/13/53/585491353.db2.gz HVRNHVIGJRQTDR-VMTDUWPYSA-N 1 2 219.288 1.938 20 0 BDADLO CC=C(C=CC(=O)NCc1c[nH]c[nH+]1)CC ZINC000765619158 585491354 /nfs/dbraw/zinc/49/13/54/585491354.db2.gz HVRNHVIGJRQTDR-VMTDUWPYSA-N 1 2 219.288 1.938 20 0 BDADLO CC[C@H]1C[N@H+](CCF)CCN1CC(F)F ZINC000766268401 585499345 /nfs/dbraw/zinc/49/93/45/585499345.db2.gz JHVKEKQCFAJEMK-VIFPVBQESA-N 1 2 224.270 1.617 20 0 BDADLO CC[C@H]1C[N@@H+](CCF)CCN1CC(F)F ZINC000766268401 585499346 /nfs/dbraw/zinc/49/93/46/585499346.db2.gz JHVKEKQCFAJEMK-VIFPVBQESA-N 1 2 224.270 1.617 20 0 BDADLO NC(=O)[C@@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000766455361 585502671 /nfs/dbraw/zinc/50/26/71/585502671.db2.gz DQCJTMWHVZFAEZ-LBPRGKRZSA-N 1 2 248.257 1.735 20 0 BDADLO CCOC(C[NH2+][C@H](C)c1nnc(C)o1)OCC ZINC000767847791 585527004 /nfs/dbraw/zinc/52/70/04/585527004.db2.gz AFBKDEXRNAMQJS-MRVPVSSYSA-N 1 2 243.307 1.428 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](CCO)C2CC2)cc[nH+]1 ZINC000767896236 585527726 /nfs/dbraw/zinc/52/77/26/585527726.db2.gz YUEAPSHDYDLLCJ-LBPRGKRZSA-N 1 2 249.314 1.094 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768154337 585533239 /nfs/dbraw/zinc/53/32/39/585533239.db2.gz LNYMLIBISINWDL-TUAOUCFPSA-N 1 2 247.342 1.782 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cnn(C(C)C)c1 ZINC000768304144 585535558 /nfs/dbraw/zinc/53/55/58/585535558.db2.gz XCNYVQJJMAXWKT-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cnn(C(C)C)c1 ZINC000768304144 585535559 /nfs/dbraw/zinc/53/55/59/585535559.db2.gz XCNYVQJJMAXWKT-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(Cl)o1 ZINC000768302569 585535574 /nfs/dbraw/zinc/53/55/74/585535574.db2.gz NUKGHXWORFHBBT-UHFFFAOYSA-N 1 2 230.695 1.501 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)o1 ZINC000768302569 585535575 /nfs/dbraw/zinc/53/55/75/585535575.db2.gz NUKGHXWORFHBBT-UHFFFAOYSA-N 1 2 230.695 1.501 20 0 BDADLO C[C@H]1COCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000769266502 585552059 /nfs/dbraw/zinc/55/20/59/585552059.db2.gz KUUWRBDDBPHTLH-WDEREUQCSA-N 1 2 238.287 1.099 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000769450904 585557293 /nfs/dbraw/zinc/55/72/93/585557293.db2.gz JNUMNEYLNASVEB-VIFPVBQESA-N 1 2 224.304 1.755 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000769450904 585557294 /nfs/dbraw/zinc/55/72/94/585557294.db2.gz JNUMNEYLNASVEB-VIFPVBQESA-N 1 2 224.304 1.755 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)co1 ZINC000769558886 585559627 /nfs/dbraw/zinc/55/96/27/585559627.db2.gz XRWQDALPOBQOHV-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO c1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)co1 ZINC000769558886 585559628 /nfs/dbraw/zinc/55/96/28/585559628.db2.gz XRWQDALPOBQOHV-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO COC(=O)C1([N@H+](C)CCF)CCCC1 ZINC000770238029 585572247 /nfs/dbraw/zinc/57/22/47/585572247.db2.gz CXBKQARUKQSZHX-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO COC(=O)C1([N@@H+](C)CCF)CCCC1 ZINC000770238029 585572248 /nfs/dbraw/zinc/57/22/48/585572248.db2.gz CXBKQARUKQSZHX-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO Clc1ncccc1C[N@@H+]1CCn2ncnc2C1 ZINC000770664034 585579283 /nfs/dbraw/zinc/57/92/83/585579283.db2.gz JQIWYIIUGDSWQK-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ncccc1C[N@H+]1CCn2ncnc2C1 ZINC000770664034 585579284 /nfs/dbraw/zinc/57/92/84/585579284.db2.gz JQIWYIIUGDSWQK-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CC1(CO[NH+]=C(N)Cc2cccnc2)COC1 ZINC000771673280 585598910 /nfs/dbraw/zinc/59/89/10/585598910.db2.gz DFKJLWHONLOZNW-UHFFFAOYSA-N 1 2 235.287 1.159 20 0 BDADLO CC(C)SCC(=O)OCCn1cc[nH+]c1 ZINC000771898916 585604067 /nfs/dbraw/zinc/60/40/67/585604067.db2.gz QJKCLIBPJCKZOI-UHFFFAOYSA-N 1 2 228.317 1.568 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771960483 585605515 /nfs/dbraw/zinc/60/55/15/585605515.db2.gz NTWRDFVZTMQGIA-SNVBAGLBSA-N 1 2 210.277 1.718 20 0 BDADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)c1ccco1 ZINC000771975115 585605784 /nfs/dbraw/zinc/60/57/84/585605784.db2.gz KBRDIIBCHHMFQG-SNVBAGLBSA-N 1 2 234.255 1.823 20 0 BDADLO COc1ccnc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771965108 585605791 /nfs/dbraw/zinc/60/57/91/585605791.db2.gz MDILCDQIEKARNK-UHFFFAOYSA-N 1 2 247.254 1.144 20 0 BDADLO C[C@H](C(=O)OCCn1cc[nH+]c1)c1ccco1 ZINC000771975112 585605867 /nfs/dbraw/zinc/60/58/67/585605867.db2.gz KBRDIIBCHHMFQG-JTQLQIEISA-N 1 2 234.255 1.823 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccncc1F ZINC000771978569 585606063 /nfs/dbraw/zinc/60/60/63/585606063.db2.gz RTHIXCRPJDYIGG-UHFFFAOYSA-N 1 2 235.218 1.274 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772485950 585616140 /nfs/dbraw/zinc/61/61/40/585616140.db2.gz AQIVJCVXHVAZDS-MNOVXSKESA-N 1 2 222.288 1.718 20 0 BDADLO CCSCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805469029 585621068 /nfs/dbraw/zinc/62/10/68/585621068.db2.gz KHMLKCQRVVJKBN-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCSCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805469029 585621069 /nfs/dbraw/zinc/62/10/69/585621069.db2.gz KHMLKCQRVVJKBN-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cn1cccnc1=S ZINC000772822229 585624805 /nfs/dbraw/zinc/62/48/05/585624805.db2.gz ORFNELZNXRPSPP-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cn1cccnc1=S ZINC000772822229 585624806 /nfs/dbraw/zinc/62/48/06/585624806.db2.gz ORFNELZNXRPSPP-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO CS[C@H](C)CCC(=O)NC1=[NH+]CCS1 ZINC000773209984 585633688 /nfs/dbraw/zinc/63/36/88/585633688.db2.gz UVIWCEYUKMSSBQ-SSDOTTSWSA-N 1 2 232.374 1.737 20 0 BDADLO CSCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000773524866 585639426 /nfs/dbraw/zinc/63/94/26/585639426.db2.gz XTZCJTXIGQMIPA-VIFPVBQESA-N 1 2 217.334 1.377 20 0 BDADLO CSCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000773524866 585639427 /nfs/dbraw/zinc/63/94/27/585639427.db2.gz XTZCJTXIGQMIPA-VIFPVBQESA-N 1 2 217.334 1.377 20 0 BDADLO CS[C@@H](C)CCC(=O)OCc1c[nH+]cn1C ZINC000773781808 585643833 /nfs/dbraw/zinc/64/38/33/585643833.db2.gz YCRCXPSZIYZIRJ-VIFPVBQESA-N 1 2 242.344 1.995 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000773894319 585645862 /nfs/dbraw/zinc/64/58/62/585645862.db2.gz KANWEBQFDHWJHV-UHFFFAOYSA-N 1 2 249.358 1.350 20 0 BDADLO C[C@H]1COCC[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000774122541 585651184 /nfs/dbraw/zinc/65/11/84/585651184.db2.gz KLJRCYMOJHRLNU-ONGXEEELSA-N 1 2 238.287 1.136 20 0 BDADLO C[C@@H]1C[NH+](C[C@H]2CCC=CO2)C[C@@H](C)S1=O ZINC000775116380 585672542 /nfs/dbraw/zinc/67/25/42/585672542.db2.gz UNFWZRWNVRGNKT-IJLUTSLNSA-N 1 2 243.372 1.520 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CCC=CO1 ZINC000805544081 585676651 /nfs/dbraw/zinc/67/66/51/585676651.db2.gz AVKPBRJSFCMXOF-LBPRGKRZSA-N 1 2 249.266 1.826 20 0 BDADLO O=C(NOC1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000775604993 585681227 /nfs/dbraw/zinc/68/12/27/585681227.db2.gz UNYXHBHAGHRAAB-JTQLQIEISA-N 1 2 249.314 1.436 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCF ZINC000775805937 585685522 /nfs/dbraw/zinc/68/55/22/585685522.db2.gz FRLFEZKHVVSWCJ-IUCAKERBSA-N 1 2 203.257 1.229 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCF ZINC000775805937 585685523 /nfs/dbraw/zinc/68/55/23/585685523.db2.gz FRLFEZKHVVSWCJ-IUCAKERBSA-N 1 2 203.257 1.229 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccoc2)[C@H](C)CN1C ZINC000775981031 585688337 /nfs/dbraw/zinc/68/83/37/585688337.db2.gz MBOWMCYWSVIZHL-GHMZBOCLSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccoc2)[C@H](C)CN1C ZINC000775981031 585688338 /nfs/dbraw/zinc/68/83/38/585688338.db2.gz MBOWMCYWSVIZHL-GHMZBOCLSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccoc2)CCN1C ZINC000775988398 585688982 /nfs/dbraw/zinc/68/89/82/585688982.db2.gz XNYXUYWNCBUKBB-GHMZBOCLSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccoc2)CCN1C ZINC000775988398 585688983 /nfs/dbraw/zinc/68/89/83/585688983.db2.gz XNYXUYWNCBUKBB-GHMZBOCLSA-N 1 2 208.305 1.804 20 0 BDADLO Cn1nc(C[N@H+](C)C2CC(O)C2)cc1Cl ZINC000859251930 589024612 /nfs/dbraw/zinc/02/46/12/589024612.db2.gz ITGQSEUKEPNWLZ-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO Cn1nc(C[N@@H+](C)C2CC(O)C2)cc1Cl ZINC000859251930 589024613 /nfs/dbraw/zinc/02/46/13/589024613.db2.gz ITGQSEUKEPNWLZ-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2cnnc2)no1 ZINC000776755556 585703929 /nfs/dbraw/zinc/70/39/29/585703929.db2.gz FGMPUDSHRVFCGW-NSHDSACASA-N 1 2 233.275 1.369 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2Cn2cnnc2)no1 ZINC000776755556 585703930 /nfs/dbraw/zinc/70/39/30/585703930.db2.gz FGMPUDSHRVFCGW-NSHDSACASA-N 1 2 233.275 1.369 20 0 BDADLO CC(Cl)(Cl)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000777400154 585710533 /nfs/dbraw/zinc/71/05/33/585710533.db2.gz SSAXYNWXIRVWSC-UHFFFAOYSA-N 1 2 248.113 1.460 20 0 BDADLO O=C(c1cnco1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777457341 585712618 /nfs/dbraw/zinc/71/26/18/585712618.db2.gz NOTCBLRJNBREAB-QMMMGPOBSA-N 1 2 232.243 1.375 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCOC2=S)C[C@H]1F ZINC000777967616 585724694 /nfs/dbraw/zinc/72/46/94/585724694.db2.gz JSHDTMVICCKIDE-RKDXNWHRSA-N 1 2 232.324 1.241 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCOC2=S)C[C@H]1F ZINC000777967616 585724695 /nfs/dbraw/zinc/72/46/95/585724695.db2.gz JSHDTMVICCKIDE-RKDXNWHRSA-N 1 2 232.324 1.241 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCOC2=S)C[C@@H]1F ZINC000777967611 585724777 /nfs/dbraw/zinc/72/47/77/585724777.db2.gz JSHDTMVICCKIDE-BDAKNGLRSA-N 1 2 232.324 1.241 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCOC2=S)C[C@@H]1F ZINC000777967611 585724778 /nfs/dbraw/zinc/72/47/78/585724778.db2.gz JSHDTMVICCKIDE-BDAKNGLRSA-N 1 2 232.324 1.241 20 0 BDADLO Cc1cnc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000778229040 585728226 /nfs/dbraw/zinc/72/82/26/585728226.db2.gz NRHZWUMGLNWASG-LLVKDONJSA-N 1 2 243.314 1.845 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000778395002 585733432 /nfs/dbraw/zinc/73/34/32/585733432.db2.gz CCKYPUOQRXVRLL-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000778395002 585733433 /nfs/dbraw/zinc/73/34/33/585733433.db2.gz CCKYPUOQRXVRLL-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cc1ccc(COC(=O)c2ccncn2)c(C)[nH+]1 ZINC000778450947 585735062 /nfs/dbraw/zinc/73/50/62/585735062.db2.gz CBIKJAPEXCVPCG-UHFFFAOYSA-N 1 2 243.266 1.845 20 0 BDADLO CCC1(C(=O)NC2=[NH+]CCS2)CCOCC1 ZINC000778550883 585736782 /nfs/dbraw/zinc/73/67/82/585736782.db2.gz RQROPCJXKLDUTA-UHFFFAOYSA-N 1 2 242.344 1.412 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CC=CCC1 ZINC000778969415 585743148 /nfs/dbraw/zinc/74/31/48/585743148.db2.gz SMYFQQQEUJIUGP-LLVKDONJSA-N 1 2 211.305 1.980 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CC=CCC1 ZINC000778969415 585743149 /nfs/dbraw/zinc/74/31/49/585743149.db2.gz SMYFQQQEUJIUGP-LLVKDONJSA-N 1 2 211.305 1.980 20 0 BDADLO CSc1ccc(N[C@H](C)CCO)[nH+]c1 ZINC000779423011 585753706 /nfs/dbraw/zinc/75/37/06/585753706.db2.gz ZBSJPKHDNVTHRS-MRVPVSSYSA-N 1 2 212.318 1.986 20 0 BDADLO C[C@@H](CCO)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000779417514 585754446 /nfs/dbraw/zinc/75/44/46/585754446.db2.gz KJEWVEBOBASZNJ-NSHDSACASA-N 1 2 235.331 1.865 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@]1(C)CCCOC1 ZINC000781463311 585796523 /nfs/dbraw/zinc/79/65/23/585796523.db2.gz OTVJQWYECYFQIB-LBPRGKRZSA-N 1 2 238.287 1.280 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC=CO2)c[nH+]1 ZINC000781498180 585797614 /nfs/dbraw/zinc/79/76/14/585797614.db2.gz SFCHDVPMYHPUQJ-VIFPVBQESA-N 1 2 221.260 1.141 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCc1cccs1 ZINC000781943988 585805698 /nfs/dbraw/zinc/80/56/98/585805698.db2.gz DAHZTRPCVUAZOP-VIFPVBQESA-N 1 2 247.310 1.993 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCc1cccs1 ZINC000781943988 585805699 /nfs/dbraw/zinc/80/56/99/585805699.db2.gz DAHZTRPCVUAZOP-VIFPVBQESA-N 1 2 247.310 1.993 20 0 BDADLO OC[C@]12C[C@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000782406677 585817726 /nfs/dbraw/zinc/81/77/26/585817726.db2.gz MGEJULXFOJLWNU-GXFFZTMASA-N 1 2 231.299 1.173 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000782590487 585820853 /nfs/dbraw/zinc/82/08/53/585820853.db2.gz DQTKLGQYCDVRED-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000782590487 585820854 /nfs/dbraw/zinc/82/08/54/585820854.db2.gz DQTKLGQYCDVRED-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCOc1ccccc1 ZINC000782594486 585821264 /nfs/dbraw/zinc/82/12/64/585821264.db2.gz YYCYLXUXEAKCPR-LBPRGKRZSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCOc1ccccc1 ZINC000782594486 585821265 /nfs/dbraw/zinc/82/12/65/585821265.db2.gz YYCYLXUXEAKCPR-LBPRGKRZSA-N 1 2 248.326 1.228 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782616791 585822450 /nfs/dbraw/zinc/82/24/50/585822450.db2.gz MPDAOWDIVBLCRB-WCQYABFASA-N 1 2 235.331 1.278 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782616791 585822451 /nfs/dbraw/zinc/82/24/51/585822451.db2.gz MPDAOWDIVBLCRB-WCQYABFASA-N 1 2 235.331 1.278 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cncs1 ZINC000782620372 585822841 /nfs/dbraw/zinc/82/28/41/585822841.db2.gz QGLWRHSLTHIUNV-UHFFFAOYSA-N 1 2 237.284 1.587 20 0 BDADLO CC(C)OCC(=O)OCCCn1cc[nH+]c1 ZINC000783200665 585830410 /nfs/dbraw/zinc/83/04/10/585830410.db2.gz WUDOZUXLKLVDBE-UHFFFAOYSA-N 1 2 226.276 1.241 20 0 BDADLO O=C(CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000783600447 585838101 /nfs/dbraw/zinc/83/81/01/585838101.db2.gz ZPCJZXAXZMUOBV-UHFFFAOYSA-N 1 2 243.266 1.043 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC000783733464 585841318 /nfs/dbraw/zinc/84/13/18/585841318.db2.gz HTMSKUCITOOPMU-GXFFZTMASA-N 1 2 234.299 1.366 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC000783733464 585841319 /nfs/dbraw/zinc/84/13/19/585841319.db2.gz HTMSKUCITOOPMU-GXFFZTMASA-N 1 2 234.299 1.366 20 0 BDADLO CCc1ocnc1C(=O)OCCCn1cc[nH+]c1 ZINC000783764335 585842544 /nfs/dbraw/zinc/84/25/44/585842544.db2.gz WCUVKZJQBDASRM-UHFFFAOYSA-N 1 2 249.270 1.681 20 0 BDADLO C[C@@H](C(=O)OCCCn1cc[nH+]c1)C1CC1 ZINC000783983129 585846409 /nfs/dbraw/zinc/84/64/09/585846409.db2.gz YXSWCDAZOSOXEY-SNVBAGLBSA-N 1 2 222.288 1.863 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000784157754 585851930 /nfs/dbraw/zinc/85/19/30/585851930.db2.gz MFZLODAIMSEUBC-JTQLQIEISA-N 1 2 240.328 1.570 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C/C=C\Cl ZINC000784356349 585856996 /nfs/dbraw/zinc/85/69/96/585856996.db2.gz NCKLPSRUVHPZLF-WPEWVOEUSA-N 1 2 243.734 1.809 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C/C=C\Cl ZINC000784356349 585856997 /nfs/dbraw/zinc/85/69/97/585856997.db2.gz NCKLPSRUVHPZLF-WPEWVOEUSA-N 1 2 243.734 1.809 20 0 BDADLO CC(C)[C@@H](F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000784414618 585859005 /nfs/dbraw/zinc/85/90/05/585859005.db2.gz RKCFYCOMFLFGFM-GHMZBOCLSA-N 1 2 241.310 1.630 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000784524852 585862133 /nfs/dbraw/zinc/86/21/33/585862133.db2.gz HIAIZUVIUTWDNT-KOLCDFICSA-N 1 2 239.294 1.308 20 0 BDADLO CC(C)[C@H](F)C(=O)OCc1c[nH+]cn1C ZINC000784526733 585862426 /nfs/dbraw/zinc/86/24/26/585862426.db2.gz YBWVOGYOKCXRJA-VIFPVBQESA-N 1 2 214.240 1.457 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCCNc1cccc[nH+]1 ZINC000784771264 585866295 /nfs/dbraw/zinc/86/62/95/585866295.db2.gz XKFRFMGQOKKYNN-LLVKDONJSA-N 1 2 239.294 1.604 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)/C=C/C1CC1 ZINC000784905166 585868356 /nfs/dbraw/zinc/86/83/56/585868356.db2.gz BZZNORJWBLPRDK-ZWNMCFTASA-N 1 2 239.315 1.217 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccc(F)nc1C ZINC000785418709 585872965 /nfs/dbraw/zinc/87/29/65/585872965.db2.gz YJSMIFSBFZMKJY-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO O=C(OCCC1(O)CC1)c1ccc2[nH+]ccn2c1 ZINC000785674958 585877722 /nfs/dbraw/zinc/87/77/22/585877722.db2.gz YOTCTGDMFIMIEB-UHFFFAOYSA-N 1 2 246.266 1.406 20 0 BDADLO Cn1cnnc1C[N@H+](C)Cc1ccc(CF)cc1 ZINC000805821067 585898132 /nfs/dbraw/zinc/89/81/32/585898132.db2.gz CRHIGPDVLOBQQK-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO Cn1cnnc1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000805821067 585898133 /nfs/dbraw/zinc/89/81/33/585898133.db2.gz CRHIGPDVLOBQQK-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO Cn1cnnc1C[N@H+](C)CCSC(C)(C)C ZINC000805822798 585899168 /nfs/dbraw/zinc/89/91/68/585899168.db2.gz WMRIFSDWKXZUCE-UHFFFAOYSA-N 1 2 242.392 1.779 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CCSC(C)(C)C ZINC000805822798 585899169 /nfs/dbraw/zinc/89/91/69/585899169.db2.gz WMRIFSDWKXZUCE-UHFFFAOYSA-N 1 2 242.392 1.779 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC=CO1 ZINC000787055408 585900538 /nfs/dbraw/zinc/90/05/38/585900538.db2.gz YJRHGVNQNCMJPY-JTQLQIEISA-N 1 2 222.244 1.119 20 0 BDADLO O=C(C(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000787269439 585904261 /nfs/dbraw/zinc/90/42/61/585904261.db2.gz AVZVSAZPEYRPSS-UHFFFAOYSA-N 1 2 229.230 1.381 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)n[nH]1 ZINC000787608118 585912849 /nfs/dbraw/zinc/91/28/49/585912849.db2.gz TVCLNXVCHGUOBO-UHFFFAOYSA-N 1 2 232.243 1.052 20 0 BDADLO CNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788333070 585922100 /nfs/dbraw/zinc/92/21/00/585922100.db2.gz MBIQHXRBCWCOKH-SNVBAGLBSA-N 1 2 237.328 1.039 20 0 BDADLO CC(=O)OCCCSCCCn1cc[nH+]c1 ZINC000788508243 585925950 /nfs/dbraw/zinc/92/59/50/585925950.db2.gz BYSZDHKLULTSTN-UHFFFAOYSA-N 1 2 242.344 1.960 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000788747978 585929730 /nfs/dbraw/zinc/92/97/30/585929730.db2.gz PTJVBCDZYHRJSS-ZFSPTPKQSA-N 1 2 240.347 1.180 20 0 BDADLO CCc1cncc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000789437983 585942831 /nfs/dbraw/zinc/94/28/31/585942831.db2.gz BDJGFADULXQMPI-UHFFFAOYSA-N 1 2 245.282 1.735 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCCCF ZINC000789590488 585945092 /nfs/dbraw/zinc/94/50/92/585945092.db2.gz IDXCHJSTJHUTBM-UHFFFAOYSA-N 1 2 247.314 1.539 20 0 BDADLO CC[C@H](C)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789612789 585946651 /nfs/dbraw/zinc/94/66/51/585946651.db2.gz VLKBYOIXXGUICP-DTWKUNHWSA-N 1 2 200.282 1.710 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C(CC)CC)C1 ZINC000789773434 585949664 /nfs/dbraw/zinc/94/96/64/585949664.db2.gz HJRAHXPBEUBATE-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CCSC)C1 ZINC000789775857 585949771 /nfs/dbraw/zinc/94/97/71/585949771.db2.gz SDOULKTVBHABOI-UHFFFAOYSA-N 1 2 247.360 1.003 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCCC1CCOCC1 ZINC000790439465 585964629 /nfs/dbraw/zinc/96/46/29/585964629.db2.gz RCTXGYXIAIITIE-JTQLQIEISA-N 1 2 244.335 1.727 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)c1)c1nnnn1C1CC1 ZINC000790537293 585965935 /nfs/dbraw/zinc/96/59/35/585965935.db2.gz XFVFYFQVYKTOJP-VIFPVBQESA-N 1 2 246.318 1.197 20 0 BDADLO CCOCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791715109 585986574 /nfs/dbraw/zinc/98/65/74/585986574.db2.gz DVOWTDJWKDNVDL-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)OC[C@H](C)O ZINC000791736383 585986799 /nfs/dbraw/zinc/98/67/99/585986799.db2.gz LOBNSOCDQQUAPY-VIFPVBQESA-N 1 2 248.282 1.269 20 0 BDADLO Cc1nccc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000791748492 585987365 /nfs/dbraw/zinc/98/73/65/585987365.db2.gz JKRPPZSJEHQBCB-UHFFFAOYSA-N 1 2 244.254 1.119 20 0 BDADLO Nc1cc(COC(=O)[C@H]2C[C@@]23CCOC3)cc[nH+]1 ZINC000792130330 585996157 /nfs/dbraw/zinc/99/61/57/585996157.db2.gz RWEHCKRNGWQVHB-ZWNOBZJWSA-N 1 2 248.282 1.134 20 0 BDADLO C[C@H]1C[C@@H](C(=O)OCc2cc[nH+]c(N)c2)CO1 ZINC000792168583 585996832 /nfs/dbraw/zinc/99/68/32/585996832.db2.gz AWYFLBBWGXHPMJ-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1cc(COC(=O)c2ccc(F)nc2)cc[nH+]1 ZINC000792204233 585997681 /nfs/dbraw/zinc/99/76/81/585997681.db2.gz PSXQREQAWKSGPR-UHFFFAOYSA-N 1 2 247.229 1.555 20 0 BDADLO Cc1c(C(=O)OCc2cc[nH+]c(N)c2)ccn1C ZINC000792288946 585999190 /nfs/dbraw/zinc/99/91/90/585999190.db2.gz DUDFVKYOGUOZPV-UHFFFAOYSA-N 1 2 245.282 1.668 20 0 BDADLO Nc1cc(COC(=O)[C@H]2C[C@@H]2C(F)F)cc[nH+]1 ZINC000792309241 585999657 /nfs/dbraw/zinc/99/96/57/585999657.db2.gz XAUPFNIOOXVADJ-YUMQZZPRSA-N 1 2 242.225 1.608 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(=O)C2CC2)C[C@H](C)[S@@]1=O ZINC000792395595 586000188 /nfs/dbraw/zinc/00/01/88/586000188.db2.gz RWVCKKZVWCBSPJ-WRBXQSRGSA-N 1 2 243.372 1.197 20 0 BDADLO C[C@@H]1C[N@H+](CCC(=O)C2CC2)C[C@H](C)[S@@]1=O ZINC000792395595 586000189 /nfs/dbraw/zinc/00/01/89/586000189.db2.gz RWVCKKZVWCBSPJ-WRBXQSRGSA-N 1 2 243.372 1.197 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@]1(CC)CCOC1 ZINC000792426925 586000585 /nfs/dbraw/zinc/00/05/85/586000585.db2.gz OTPRRRWKARWKEU-WCQYABFASA-N 1 2 243.347 1.877 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)c1cccc2[nH+]ccn21 ZINC000792526888 586001536 /nfs/dbraw/zinc/00/15/36/586001536.db2.gz BKFMIGCBVJDKSV-UWVGGRQHSA-N 1 2 229.283 1.957 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NC1=[NH+]CCS1 ZINC000792854115 586005834 /nfs/dbraw/zinc/00/58/34/586005834.db2.gz JWMXXQOPGMQAAV-YUMQZZPRSA-N 1 2 230.333 1.267 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)F ZINC000793237328 586014864 /nfs/dbraw/zinc/01/48/64/586014864.db2.gz HWBPGBGIPJDFDM-UHFFFAOYSA-N 1 2 214.240 1.254 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000793253335 586015214 /nfs/dbraw/zinc/01/52/14/586015214.db2.gz PDWWGKXYSKLBHI-NEPJUHHUSA-N 1 2 234.299 1.552 20 0 BDADLO CCCCOCC(=O)OCCc1c[nH+]cn1C ZINC000793257029 586015356 /nfs/dbraw/zinc/01/53/56/586015356.db2.gz RWKXTDCJVXYCAC-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC=CO1 ZINC000793890652 586028379 /nfs/dbraw/zinc/02/83/79/586028379.db2.gz ZZYIGBDWWJAMPT-LLVKDONJSA-N 1 2 235.287 1.151 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC=CO1 ZINC000793890652 586028380 /nfs/dbraw/zinc/02/83/80/586028380.db2.gz ZZYIGBDWWJAMPT-LLVKDONJSA-N 1 2 235.287 1.151 20 0 BDADLO Cc1ccccc1CC(N)=[NH+]O[C@H]1CCOC1 ZINC000794522546 586041791 /nfs/dbraw/zinc/04/17/91/586041791.db2.gz YXNDTOIPGHZEGW-LBPRGKRZSA-N 1 2 234.299 1.825 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H]1CCOC1 ZINC000794521672 586041857 /nfs/dbraw/zinc/04/18/57/586041857.db2.gz DXJSGOUBKOFLBW-UWVGGRQHSA-N 1 2 230.308 1.335 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000794577986 586045110 /nfs/dbraw/zinc/04/51/10/586045110.db2.gz VNPSPRDTIZSEEL-RYUDHWBXSA-N 1 2 243.347 1.326 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794583465 586045150 /nfs/dbraw/zinc/04/51/50/586045150.db2.gz IFZXTRYCLNRGJT-JXPAYYINSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794583465 586045151 /nfs/dbraw/zinc/04/51/51/586045151.db2.gz IFZXTRYCLNRGJT-JXPAYYINSA-N 1 2 249.314 1.666 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cn1cccnc1=S ZINC000795749597 586091618 /nfs/dbraw/zinc/09/16/18/586091618.db2.gz QLQHBVKWQVINEP-VIFPVBQESA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cn1cccnc1=S ZINC000795749597 586091619 /nfs/dbraw/zinc/09/16/19/586091619.db2.gz QLQHBVKWQVINEP-VIFPVBQESA-N 1 2 227.333 1.537 20 0 BDADLO Oc1ccc2c(c1)OCC[N@@H+](CCF)C2 ZINC000796466455 586104388 /nfs/dbraw/zinc/10/43/88/586104388.db2.gz QOZSEHHQVLCGOX-UHFFFAOYSA-N 1 2 211.236 1.556 20 0 BDADLO Oc1ccc2c(c1)OCC[N@H+](CCF)C2 ZINC000796466455 586104389 /nfs/dbraw/zinc/10/43/89/586104389.db2.gz QOZSEHHQVLCGOX-UHFFFAOYSA-N 1 2 211.236 1.556 20 0 BDADLO CON(CC[N@@H+]1CCO[C@@H](C)C1)CC(C)(C)C ZINC000796470004 586104559 /nfs/dbraw/zinc/10/45/59/586104559.db2.gz AYQMHKDAHAHQIW-LBPRGKRZSA-N 1 2 244.379 1.617 20 0 BDADLO CON(CC[N@H+]1CCO[C@@H](C)C1)CC(C)(C)C ZINC000796470004 586104560 /nfs/dbraw/zinc/10/45/60/586104560.db2.gz AYQMHKDAHAHQIW-LBPRGKRZSA-N 1 2 244.379 1.617 20 0 BDADLO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000796480378 586105267 /nfs/dbraw/zinc/10/52/67/586105267.db2.gz DIFQLQLECVPKDF-RISCZKNCSA-N 1 2 245.326 1.930 20 0 BDADLO C[N@H+](CC(=O)OCc1ccccc1)C1(CO)CC1 ZINC000796500359 586105554 /nfs/dbraw/zinc/10/55/54/586105554.db2.gz GFUXAPHATFYGFX-UHFFFAOYSA-N 1 2 249.310 1.187 20 0 BDADLO C[N@@H+](CC(=O)OCc1ccccc1)C1(CO)CC1 ZINC000796500359 586105555 /nfs/dbraw/zinc/10/55/55/586105555.db2.gz GFUXAPHATFYGFX-UHFFFAOYSA-N 1 2 249.310 1.187 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC(F)(F)CC1 ZINC000796541118 586106605 /nfs/dbraw/zinc/10/66/05/586106605.db2.gz FCXJOXIPCHCTKJ-ZETCQYMHSA-N 1 2 205.204 1.033 20 0 BDADLO C[C@@H]([NH2+]CC1OCCO1)c1c(F)cncc1F ZINC000796639434 586109135 /nfs/dbraw/zinc/10/91/35/586109135.db2.gz MGBXYCWKJNZQQN-SSDOTTSWSA-N 1 2 244.241 1.383 20 0 BDADLO C[C@@H](N[C@H](C)c1[nH]cc[nH+]1)c1nnnn1C1CC1 ZINC000796964718 586117974 /nfs/dbraw/zinc/11/79/74/586117974.db2.gz JQMIVOWWJRTSAM-HTQZYQBOSA-N 1 2 247.306 1.143 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cncs1 ZINC000797117010 586120603 /nfs/dbraw/zinc/12/06/03/586120603.db2.gz BUVBUMWQJDTGRY-UHFFFAOYSA-N 1 2 237.284 1.276 20 0 BDADLO C[N@H+](C/C=C\Cl)CC(=O)N1CCCC1 ZINC000797761262 586130823 /nfs/dbraw/zinc/13/08/23/586130823.db2.gz CPRZADXZGRDMQH-PLNGDYQASA-N 1 2 216.712 1.293 20 0 BDADLO C[N@@H+](C/C=C\Cl)CC(=O)N1CCCC1 ZINC000797761262 586130824 /nfs/dbraw/zinc/13/08/24/586130824.db2.gz CPRZADXZGRDMQH-PLNGDYQASA-N 1 2 216.712 1.293 20 0 BDADLO CC(C)[N@H+](Cc1ccnc(F)c1)C1COC1 ZINC000859320430 589030877 /nfs/dbraw/zinc/03/08/77/589030877.db2.gz ZRVXCQDLWKBRKO-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)[N@@H+](Cc1ccnc(F)c1)C1COC1 ZINC000859320430 589030878 /nfs/dbraw/zinc/03/08/78/589030878.db2.gz ZRVXCQDLWKBRKO-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)n1nccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000799168635 586160612 /nfs/dbraw/zinc/16/06/12/586160612.db2.gz VCNQXXHVAOKPLH-UHFFFAOYSA-N 1 2 237.347 1.667 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(Cl)n(C)n2)[C@H]1C ZINC000859316605 589031255 /nfs/dbraw/zinc/03/12/55/589031255.db2.gz YGIVIOGLDFNXRA-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)[C@H]1C ZINC000859316605 589031257 /nfs/dbraw/zinc/03/12/57/589031257.db2.gz YGIVIOGLDFNXRA-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO CC[C@@](C)([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000799314517 586171081 /nfs/dbraw/zinc/17/10/81/586171081.db2.gz KYZDIYZUJVTZIW-CYBMUJFWSA-N 1 2 245.330 1.625 20 0 BDADLO C[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)CC(=O)N1C ZINC000800479465 586222223 /nfs/dbraw/zinc/22/22/23/586222223.db2.gz GSVQRCDFEVPAQR-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(=O)C(C)(C)C)CC(=O)N1C ZINC000800479465 586222224 /nfs/dbraw/zinc/22/22/24/586222224.db2.gz GSVQRCDFEVPAQR-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)OCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801560508 586262421 /nfs/dbraw/zinc/26/24/21/586262421.db2.gz QVQPFWNTIYNVKK-VIFPVBQESA-N 1 2 223.263 1.377 20 0 BDADLO CC(C)OCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801560508 586262422 /nfs/dbraw/zinc/26/24/22/586262422.db2.gz QVQPFWNTIYNVKK-VIFPVBQESA-N 1 2 223.263 1.377 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCF)O1 ZINC000801599886 586266063 /nfs/dbraw/zinc/26/60/63/586266063.db2.gz GVFUKMZMHVTUMA-VLEAKVRGSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCF)O1 ZINC000801599886 586266065 /nfs/dbraw/zinc/26/60/65/586266065.db2.gz GVFUKMZMHVTUMA-VLEAKVRGSA-N 1 2 245.294 1.139 20 0 BDADLO CN(C)c1cc(C[N@@H+]2CCOCC23CC3)ccn1 ZINC000801981299 586284985 /nfs/dbraw/zinc/28/49/85/586284985.db2.gz MHGQXHYMFIZXNW-UHFFFAOYSA-N 1 2 247.342 1.512 20 0 BDADLO CN(C)c1cc(C[N@H+]2CCOCC23CC3)ccn1 ZINC000801981299 586284987 /nfs/dbraw/zinc/28/49/87/586284987.db2.gz MHGQXHYMFIZXNW-UHFFFAOYSA-N 1 2 247.342 1.512 20 0 BDADLO CCO[C@H](CC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802232526 586297664 /nfs/dbraw/zinc/29/76/64/586297664.db2.gz JSUXSHNQAUXMLE-GHMZBOCLSA-N 1 2 247.310 1.389 20 0 BDADLO CCO[C@H](CC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802232526 586297665 /nfs/dbraw/zinc/29/76/65/586297665.db2.gz JSUXSHNQAUXMLE-GHMZBOCLSA-N 1 2 247.310 1.389 20 0 BDADLO C[C@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802232741 586297721 /nfs/dbraw/zinc/29/77/21/586297721.db2.gz UAJHJXJJBSQUHI-GXSJLCMTSA-N 1 2 229.295 1.620 20 0 BDADLO C[C@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802232741 586297723 /nfs/dbraw/zinc/29/77/23/586297723.db2.gz UAJHJXJJBSQUHI-GXSJLCMTSA-N 1 2 229.295 1.620 20 0 BDADLO COC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCC1 ZINC000802237693 586297965 /nfs/dbraw/zinc/29/79/65/586297965.db2.gz IPXDWYAJFPZZDG-SNVBAGLBSA-N 1 2 245.294 1.143 20 0 BDADLO COC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCC1 ZINC000802237693 586297968 /nfs/dbraw/zinc/29/79/68/586297968.db2.gz IPXDWYAJFPZZDG-SNVBAGLBSA-N 1 2 245.294 1.143 20 0 BDADLO CS[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802242732 586298662 /nfs/dbraw/zinc/29/86/62/586298662.db2.gz PJVWTHSKNCPKCV-DTWKUNHWSA-N 1 2 235.324 1.325 20 0 BDADLO CS[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802242732 586298664 /nfs/dbraw/zinc/29/86/64/586298664.db2.gz PJVWTHSKNCPKCV-DTWKUNHWSA-N 1 2 235.324 1.325 20 0 BDADLO FC(F)[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000802653994 586307741 /nfs/dbraw/zinc/30/77/41/586307741.db2.gz BVSJPBBMIPGGNA-ZJUUUORDSA-N 1 2 233.258 1.645 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCO1 ZINC000802653994 586307743 /nfs/dbraw/zinc/30/77/43/586307743.db2.gz BVSJPBBMIPGGNA-ZJUUUORDSA-N 1 2 233.258 1.645 20 0 BDADLO Cc1ocnc1C(=O)OCCCc1[nH+]ccn1C ZINC000802783869 586314366 /nfs/dbraw/zinc/31/43/66/586314366.db2.gz FHRRIVPMJSLCSC-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccncc1 ZINC000803361078 586347148 /nfs/dbraw/zinc/34/71/48/586347148.db2.gz IHKFFYXHUXTCBK-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccncc1 ZINC000803361078 586347151 /nfs/dbraw/zinc/34/71/51/586347151.db2.gz IHKFFYXHUXTCBK-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CC(C)[C@H](C(=O)O[C@@H](C)C(=O)C1CC1)[NH+](C)C ZINC000803496536 586361398 /nfs/dbraw/zinc/36/13/98/586361398.db2.gz GBKNXBBPAZNYSQ-GXSJLCMTSA-N 1 2 241.331 1.483 20 0 BDADLO CCC(=O)CCCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803494252 586362018 /nfs/dbraw/zinc/36/20/18/586362018.db2.gz AIHJOLDPXPHPJK-GFCCVEGCSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]1OCC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@H]1C ZINC000840026668 586384469 /nfs/dbraw/zinc/38/44/69/586384469.db2.gz HJPZCOWJIIEHJT-YFKTTZPYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1OCC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@H]1C ZINC000840026668 586384472 /nfs/dbraw/zinc/38/44/72/586384472.db2.gz HJPZCOWJIIEHJT-YFKTTZPYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CCOC(C)(C)[C@H]2C)C1=O ZINC000840029809 586385125 /nfs/dbraw/zinc/38/51/25/586385125.db2.gz VCOSCWGVRCAKCW-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CCOC(C)(C)[C@H]2C)C1=O ZINC000840029809 586385128 /nfs/dbraw/zinc/38/51/28/586385128.db2.gz VCOSCWGVRCAKCW-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO CCC[C@@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840036696 586386578 /nfs/dbraw/zinc/38/65/78/586386578.db2.gz FERXDKMYGHDUDU-VXGBXAGGSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@@H]1C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840036696 586386575 /nfs/dbraw/zinc/38/65/75/586386575.db2.gz FERXDKMYGHDUDU-VXGBXAGGSA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335412 586391230 /nfs/dbraw/zinc/39/12/30/586391230.db2.gz YSZNGSQKIPPGTD-XUIVZRPNSA-N 1 2 247.342 1.916 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804334036 586391543 /nfs/dbraw/zinc/39/15/43/586391543.db2.gz WKQVKACHQOYQMM-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335395 586391774 /nfs/dbraw/zinc/39/17/74/586391774.db2.gz YFQJIUVWXXWZCY-WANFKSSISA-N 1 2 231.299 1.446 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337294 586392230 /nfs/dbraw/zinc/39/22/30/586392230.db2.gz XCRDVHUFAJXVHC-NSHDSACASA-N 1 2 233.315 1.670 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337292 586392399 /nfs/dbraw/zinc/39/23/99/586392399.db2.gz XCRDVHUFAJXVHC-LLVKDONJSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)Cc1c[nH+]cn1C ZINC000806442157 586412646 /nfs/dbraw/zinc/41/26/46/586412646.db2.gz MGAJCBDSRFSIGF-SNVBAGLBSA-N 1 2 247.298 1.303 20 0 BDADLO CSCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000806888573 586419833 /nfs/dbraw/zinc/41/98/33/586419833.db2.gz PWRSXNCFJAZMCH-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO COC[C@H]1CC[N@@H+]1CN1C[C@@H](C(C)C)CC1=O ZINC000840084643 586424051 /nfs/dbraw/zinc/42/40/51/586424051.db2.gz VIODZRAPHPTZBQ-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@H]1CC[N@H+]1CN1C[C@@H](C(C)C)CC1=O ZINC000840084643 586424053 /nfs/dbraw/zinc/42/40/53/586424053.db2.gz VIODZRAPHPTZBQ-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2CCC[C@@](C)(F)C2)C[C@H]1C ZINC000840098510 586445519 /nfs/dbraw/zinc/44/55/19/586445519.db2.gz HXERELIGLHDCCV-NQBHXWOUSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2CCC[C@@](C)(F)C2)C[C@H]1C ZINC000840098510 586445521 /nfs/dbraw/zinc/44/55/21/586445521.db2.gz HXERELIGLHDCCV-NQBHXWOUSA-N 1 2 242.338 1.882 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)OCC(C)C)n1 ZINC000843145878 586445933 /nfs/dbraw/zinc/44/59/33/586445933.db2.gz ZTVVLVCTYNHTOO-SECBINFHSA-N 1 2 227.308 1.913 20 0 BDADLO CC1(C)CC(=O)N(C[N@@H+]2CC[C@H](F)C2)C1 ZINC000840102486 586446692 /nfs/dbraw/zinc/44/66/92/586446692.db2.gz JCMUULSDCMPGGF-VIFPVBQESA-N 1 2 214.284 1.246 20 0 BDADLO CC1(C)CC(=O)N(C[N@H+]2CC[C@H](F)C2)C1 ZINC000840102486 586446694 /nfs/dbraw/zinc/44/66/94/586446694.db2.gz JCMUULSDCMPGGF-VIFPVBQESA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](F)C2)C1 ZINC000840102659 586446700 /nfs/dbraw/zinc/44/67/00/586446700.db2.gz ADVVNEOQEMGDCR-ZJUUUORDSA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](F)C2)C1 ZINC000840102659 586446702 /nfs/dbraw/zinc/44/67/02/586446702.db2.gz ADVVNEOQEMGDCR-ZJUUUORDSA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000840102646 586446853 /nfs/dbraw/zinc/44/68/53/586446853.db2.gz YWLPXKUITOWTJZ-PWSUYJOCSA-N 1 2 228.311 1.636 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](F)C2)C1 ZINC000840102646 586446854 /nfs/dbraw/zinc/44/68/54/586446854.db2.gz YWLPXKUITOWTJZ-PWSUYJOCSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@@H](F)C2)C(=O)[C@@H]1C ZINC000840115231 586449029 /nfs/dbraw/zinc/44/90/29/586449029.db2.gz NLIUQXGELDJVPG-IVZWLZJFSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@@H](F)C2)C(=O)[C@@H]1C ZINC000840115231 586449030 /nfs/dbraw/zinc/44/90/30/586449030.db2.gz NLIUQXGELDJVPG-IVZWLZJFSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@H]1OCC[N@H+](CN2C(=O)CCC2(C)C)[C@@H]1C ZINC000808172199 586466069 /nfs/dbraw/zinc/46/60/69/586466069.db2.gz QTRYKAMMFMYLIB-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2C(=O)CCC2(C)C)[C@@H]1C ZINC000808172199 586466070 /nfs/dbraw/zinc/46/60/70/586466070.db2.gz QTRYKAMMFMYLIB-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO CC(C)n1ccc(CNCc2cn(C)c[nH+]2)n1 ZINC000808391251 586470168 /nfs/dbraw/zinc/47/01/68/586470168.db2.gz KOLOBZDBOPYYDG-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO CC(C)n1ccc(C[NH2+]Cc2cn(C)cn2)n1 ZINC000808391251 586470170 /nfs/dbraw/zinc/47/01/70/586470170.db2.gz KOLOBZDBOPYYDG-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO Cn1cnc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000808390104 586470378 /nfs/dbraw/zinc/47/03/78/586470378.db2.gz ZMMBLENESZFFML-ZDUSSCGKSA-N 1 2 249.289 1.382 20 0 BDADLO COc1cccc(C[NH2+]Cc2cn(C)cn2)n1 ZINC000808386454 586470382 /nfs/dbraw/zinc/47/03/82/586470382.db2.gz DKWUGLVHYIIZFN-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO CCn1nc(C)c(NCc2cn(C)c[nH+]2)c1C ZINC000808400283 586471162 /nfs/dbraw/zinc/47/11/62/586471162.db2.gz ZVDDOIUNWLUGPZ-UHFFFAOYSA-N 1 2 233.319 1.865 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000808756435 586488810 /nfs/dbraw/zinc/48/88/10/586488810.db2.gz LWWMATIKSRQXMN-CYBMUJFWSA-N 1 2 241.331 1.093 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000808756435 586488811 /nfs/dbraw/zinc/48/88/11/586488811.db2.gz LWWMATIKSRQXMN-CYBMUJFWSA-N 1 2 241.331 1.093 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000809743065 586516063 /nfs/dbraw/zinc/51/60/63/586516063.db2.gz QBBQZITWNYMNQV-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000809743065 586516064 /nfs/dbraw/zinc/51/60/64/586516064.db2.gz QBBQZITWNYMNQV-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnn(C)n2)C[C@@H](C)S1 ZINC000809949582 586525881 /nfs/dbraw/zinc/52/58/81/586525881.db2.gz SOCOCOFULYZMGF-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000809974511 586528210 /nfs/dbraw/zinc/52/82/10/586528210.db2.gz AOSUURADDPBNHE-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO Cc1ccc(OCC[NH2+][C@@]2(C)CCOC2=O)cc1 ZINC000810097481 586533774 /nfs/dbraw/zinc/53/37/74/586533774.db2.gz IGEHMOUGAMPIGM-AWEZNQCLSA-N 1 2 249.310 1.669 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(F)CCCCC1 ZINC000810425818 586539026 /nfs/dbraw/zinc/53/90/26/586539026.db2.gz FJOHNONXSWSJEX-UHFFFAOYSA-N 1 2 225.267 1.698 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(F)CCCCC1 ZINC000810425818 586539027 /nfs/dbraw/zinc/53/90/27/586539027.db2.gz FJOHNONXSWSJEX-UHFFFAOYSA-N 1 2 225.267 1.698 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1(CCF)CC1 ZINC000810602749 586542267 /nfs/dbraw/zinc/54/22/67/586542267.db2.gz VAJMQLPCFDAQCB-UHFFFAOYSA-N 1 2 226.251 1.603 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cc2occc2[nH]1 ZINC000811588377 586561734 /nfs/dbraw/zinc/56/17/34/586561734.db2.gz IMPXNDDYICXYGT-UHFFFAOYSA-N 1 2 244.254 1.424 20 0 BDADLO C/C=C(/CC)C(=O)NCc1c[nH+]cn1C ZINC000811589566 586561914 /nfs/dbraw/zinc/56/19/14/586561914.db2.gz YBUXMYACTLSSLS-WTKPLQERSA-N 1 2 207.277 1.393 20 0 BDADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000811898968 586568309 /nfs/dbraw/zinc/56/83/09/586568309.db2.gz WUBQGSMFBTYNBF-SECBINFHSA-N 1 2 236.319 1.408 20 0 BDADLO CC(C)CCN(C)C(=O)NCc1c[nH+]cn1C ZINC000811925497 586568588 /nfs/dbraw/zinc/56/85/88/586568588.db2.gz PXGRLNWTJQMLFN-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)NC1=[NH+]CCS1 ZINC000812448322 586577489 /nfs/dbraw/zinc/57/74/89/586577489.db2.gz SVNWMYLTTGPODL-HTQZYQBOSA-N 1 2 230.333 1.124 20 0 BDADLO CC(C)C1CN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000812486035 586578001 /nfs/dbraw/zinc/57/80/01/586578001.db2.gz CCIXGSIIYDCTJL-UHFFFAOYSA-N 1 2 236.319 1.218 20 0 BDADLO Cc1[nH]nc(NC(=O)Cn2cc[nH+]c2)c1Cl ZINC000812559596 586579334 /nfs/dbraw/zinc/57/93/34/586579334.db2.gz XRWPYEHJPFXPDR-UHFFFAOYSA-N 1 2 239.666 1.207 20 0 BDADLO CC[C@H](C)CONC(=O)NCc1[nH+]ccn1C ZINC000813628763 586604642 /nfs/dbraw/zinc/60/46/42/586604642.db2.gz RENVFPCIDQZUGY-VIFPVBQESA-N 1 2 240.307 1.197 20 0 BDADLO FCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815294704 586677110 /nfs/dbraw/zinc/67/71/10/586677110.db2.gz CKNAQTLMWXMUOA-NSHDSACASA-N 1 2 201.285 1.847 20 0 BDADLO FCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815294704 586677111 /nfs/dbraw/zinc/67/71/11/586677111.db2.gz CKNAQTLMWXMUOA-NSHDSACASA-N 1 2 201.285 1.847 20 0 BDADLO FCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000815294703 586677374 /nfs/dbraw/zinc/67/73/74/586677374.db2.gz CKNAQTLMWXMUOA-LLVKDONJSA-N 1 2 201.285 1.847 20 0 BDADLO FCC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000815294703 586677376 /nfs/dbraw/zinc/67/73/76/586677376.db2.gz CKNAQTLMWXMUOA-LLVKDONJSA-N 1 2 201.285 1.847 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1C[C@@H]1C1CC1 ZINC000816055042 586706034 /nfs/dbraw/zinc/70/60/34/586706034.db2.gz WDUCLBXTYLYMRE-TUAOUCFPSA-N 1 2 241.306 1.620 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1C[C@@H]1C1CC1 ZINC000816055042 586706036 /nfs/dbraw/zinc/70/60/36/586706036.db2.gz WDUCLBXTYLYMRE-TUAOUCFPSA-N 1 2 241.306 1.620 20 0 BDADLO CC(=O)O[C@@H](c1c[nH+]cn1C)c1ccc(C)nc1 ZINC000816316319 586717269 /nfs/dbraw/zinc/71/72/69/586717269.db2.gz QJOOYKODGARUKK-CYBMUJFWSA-N 1 2 245.282 1.776 20 0 BDADLO C[N@H+](CCF)Cc1cnc2ccccn12 ZINC000816640141 586747559 /nfs/dbraw/zinc/74/75/59/586747559.db2.gz WLCCZOOOQMAGDG-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO C[N@@H+](CCF)Cc1cnc2ccccn12 ZINC000816640141 586747561 /nfs/dbraw/zinc/74/75/61/586747561.db2.gz WLCCZOOOQMAGDG-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO Clc1ccc(C[NH+]2CC3(C2)CCOC3)cn1 ZINC000816670269 586753879 /nfs/dbraw/zinc/75/38/79/586753879.db2.gz PWNXBGPOFPQLPJ-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO C[C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816861280 586768274 /nfs/dbraw/zinc/76/82/74/586768274.db2.gz RFINJDKMYZGWMB-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](c1cccnc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816907239 586770764 /nfs/dbraw/zinc/77/07/64/586770764.db2.gz LWGJFCAWEXKHLA-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO CCCCn1nccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816913919 586771567 /nfs/dbraw/zinc/77/15/67/586771567.db2.gz XZSHFRLQFPTBDS-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)ccc1O ZINC000816949623 586773259 /nfs/dbraw/zinc/77/32/59/586773259.db2.gz ASYZCMQXBRELGS-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO C[C@@]1(C(=O)OCCCn2cc[nH+]c2)CC1(F)F ZINC000817252335 586790754 /nfs/dbraw/zinc/79/07/54/586790754.db2.gz PZKYZMBJGSFFFC-JTQLQIEISA-N 1 2 244.241 1.862 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cc(C)nc(C)c2)n1 ZINC000817411645 586801533 /nfs/dbraw/zinc/80/15/33/586801533.db2.gz TZHZOQXZIFXKIH-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO CCC[C@H](C)c1noc([C@@H]([NH3+])CC(=O)OC)n1 ZINC000817864917 586830899 /nfs/dbraw/zinc/83/08/99/586830899.db2.gz RCHABKKJEJWVAG-YUMQZZPRSA-N 1 2 241.291 1.536 20 0 BDADLO FCC[C@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000859904144 589069528 /nfs/dbraw/zinc/06/95/28/589069528.db2.gz WOYLYDSEOTWLMF-MBMUTDPPSA-N 1 2 207.676 1.799 20 0 BDADLO FCC[C@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000859904144 589069530 /nfs/dbraw/zinc/06/95/30/589069530.db2.gz WOYLYDSEOTWLMF-MBMUTDPPSA-N 1 2 207.676 1.799 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cnccn2)n1 ZINC000818116656 586875408 /nfs/dbraw/zinc/87/54/08/586875408.db2.gz OBYIIJSAHHODNU-VIFPVBQESA-N 1 2 246.318 1.247 20 0 BDADLO CCC1(C(=O)Nc2ccc(N)[nH+]c2)COC1 ZINC000818541084 586899008 /nfs/dbraw/zinc/89/90/08/586899008.db2.gz AFOLEYHSOLTFRK-UHFFFAOYSA-N 1 2 221.260 1.029 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)c2ccccc2C)no1 ZINC000819078453 586928900 /nfs/dbraw/zinc/92/89/00/586928900.db2.gz VSFWKPGYXZPDQU-GFCCVEGCSA-N 1 2 247.298 1.510 20 0 BDADLO COc1cc[nH+]cc1NC(=O)/C=C\[C@@H]1CCCO1 ZINC000819203356 586938163 /nfs/dbraw/zinc/93/81/63/586938163.db2.gz XKLPIKHHLVZEJA-LWTINBJPSA-N 1 2 248.282 1.764 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C(F)=C1CCC1 ZINC000819404841 586962003 /nfs/dbraw/zinc/96/20/03/586962003.db2.gz IDVWKPURSXQGKJ-VIFPVBQESA-N 1 2 249.289 1.791 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C(F)=C1CCC1 ZINC000819404841 586962004 /nfs/dbraw/zinc/96/20/04/586962004.db2.gz IDVWKPURSXQGKJ-VIFPVBQESA-N 1 2 249.289 1.791 20 0 BDADLO CC[C@H](SC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775716 586992300 /nfs/dbraw/zinc/99/23/00/586992300.db2.gz FWGIZJGURSRYLN-BQBZGAKWSA-N 1 2 232.374 1.736 20 0 BDADLO CC(C)OCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819763607 586991180 /nfs/dbraw/zinc/99/11/80/586991180.db2.gz FOJUCJSSSNMVLX-MRVPVSSYSA-N 1 2 230.333 1.409 20 0 BDADLO CCn1nc(C)c(CNc2cc[nH+]c(C)n2)n1 ZINC000819938999 587004090 /nfs/dbraw/zinc/00/40/90/587004090.db2.gz SQMUZZIPOXCZGA-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOc1ccccc1 ZINC000820048913 587015169 /nfs/dbraw/zinc/01/51/69/587015169.db2.gz LCJCINLYMUJGME-UHFFFAOYSA-N 1 2 231.255 1.383 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000820085240 587020158 /nfs/dbraw/zinc/02/01/58/587020158.db2.gz RYQNHFAOQVSVSU-QWRGUYRKSA-N 1 2 228.336 1.314 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000820085240 587020161 /nfs/dbraw/zinc/02/01/61/587020161.db2.gz RYQNHFAOQVSVSU-QWRGUYRKSA-N 1 2 228.336 1.314 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1ncc(Cl)s1 ZINC000820295482 587041854 /nfs/dbraw/zinc/04/18/54/587041854.db2.gz LHABJDOWGDSSAN-UHFFFAOYSA-N 1 2 245.735 1.831 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)[O-] ZINC000820465356 587050459 /nfs/dbraw/zinc/05/04/59/587050459.db2.gz CKJCIMNCDICNOM-WPRPVWTQSA-N 1 2 225.292 1.009 20 0 BDADLO O=C(CCCF)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000820914123 587081317 /nfs/dbraw/zinc/08/13/17/587081317.db2.gz AZWRLPMLBQSFOZ-UHFFFAOYSA-N 1 2 248.261 1.956 20 0 BDADLO CCC1(CC(=O)N[C@H]2CCn3cc[nH+]c32)COC1 ZINC000820948223 587083905 /nfs/dbraw/zinc/08/39/05/587083905.db2.gz PRHSYRXDHDHIDN-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820965902 587085149 /nfs/dbraw/zinc/08/51/49/587085149.db2.gz LADDQDODQDFNBY-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(NC(CF)CF)c1cc2c[nH+]ccc2[nH]1 ZINC000820981141 587085884 /nfs/dbraw/zinc/08/58/84/587085884.db2.gz KHSQLLPGQKXYIW-UHFFFAOYSA-N 1 2 239.225 1.600 20 0 BDADLO CCc1c[nH]c(CC(=O)N(OC)[C@H](C)CC)[nH+]1 ZINC000821036883 587090009 /nfs/dbraw/zinc/09/00/09/587090009.db2.gz OQDXVCFXVMMNKL-SECBINFHSA-N 1 2 239.319 1.703 20 0 BDADLO Cc1cccn2c(C[N@@H+](C)[C@@H](C)C(=O)[O-])c[nH+]c12 ZINC000821125275 587097620 /nfs/dbraw/zinc/09/76/20/587097620.db2.gz CNUKHGSPVOWRJD-JTQLQIEISA-N 1 2 247.298 1.548 20 0 BDADLO Cc1cccn2c(C[N@H+](C)[C@@H](C)C(=O)[O-])c[nH+]c12 ZINC000821125275 587097622 /nfs/dbraw/zinc/09/76/22/587097622.db2.gz CNUKHGSPVOWRJD-JTQLQIEISA-N 1 2 247.298 1.548 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CCC(=O)O2)no1 ZINC000821354626 587110982 /nfs/dbraw/zinc/11/09/82/587110982.db2.gz HYMLVKLQBYDORD-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCC(=O)O2)no1 ZINC000821354626 587110983 /nfs/dbraw/zinc/11/09/83/587110983.db2.gz HYMLVKLQBYDORD-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[C@H]1C ZINC000821564501 587128831 /nfs/dbraw/zinc/12/88/31/587128831.db2.gz IMFFMMSJMSSSCI-VHSXEESVSA-N 1 2 219.288 1.684 20 0 BDADLO C[C@@H]1[C@H](O)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821856558 587144304 /nfs/dbraw/zinc/14/43/04/587144304.db2.gz DKEWLPNTVWTMTO-PRHODGIISA-N 1 2 245.282 1.158 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000822234031 587159288 /nfs/dbraw/zinc/15/92/88/587159288.db2.gz AFVIISYWHXRYHE-RKDXNWHRSA-N 1 2 226.345 1.888 20 0 BDADLO CCC1CN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000822309624 587161286 /nfs/dbraw/zinc/16/12/86/587161286.db2.gz AZVZSSSNAWWGCW-PLNGDYQASA-N 1 2 219.288 1.302 20 0 BDADLO C[NH+](C)CC1(C(=O)NOc2ccccc2)CC1 ZINC000822690715 587181136 /nfs/dbraw/zinc/18/11/36/587181136.db2.gz WSNYQXCPDKEIKD-UHFFFAOYSA-N 1 2 234.299 1.438 20 0 BDADLO COc1cnc(NC(=O)C[NH+]2CCCC2)s1 ZINC000822700982 587181932 /nfs/dbraw/zinc/18/19/32/587181932.db2.gz VZWMVHRKHMDBPY-UHFFFAOYSA-N 1 2 241.316 1.186 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(C)nc2)no1 ZINC000822723354 587182760 /nfs/dbraw/zinc/18/27/60/587182760.db2.gz UVBDRRUGCCCCFQ-VIFPVBQESA-N 1 2 234.259 1.086 20 0 BDADLO COC[C@H]([NH3+])c1nc(CCc2ccco2)no1 ZINC000822870005 587190108 /nfs/dbraw/zinc/19/01/08/587190108.db2.gz PNBLHBFPTBSBIL-VIFPVBQESA-N 1 2 237.259 1.094 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nc([C@@H](C)C2CC2)no1 ZINC000822875174 587190700 /nfs/dbraw/zinc/19/07/00/587190700.db2.gz KVLPSRSZINSHRJ-XPUUQOCRSA-N 1 2 239.275 1.146 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C)CC(F)(F)C1 ZINC000822997682 587197221 /nfs/dbraw/zinc/19/72/21/587197221.db2.gz NCDLNJRRLWQDDH-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(O)c(C)c2)no1 ZINC000823080946 587201268 /nfs/dbraw/zinc/20/12/68/587201268.db2.gz XRTRKMOKOPITMQ-VIFPVBQESA-N 1 2 249.270 1.397 20 0 BDADLO Cc1occc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823244416 587210896 /nfs/dbraw/zinc/21/08/96/587210896.db2.gz FHLFEYYIBKJGAE-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)C2(C)CC=CC2)S1 ZINC000823307904 587215468 /nfs/dbraw/zinc/21/54/68/587215468.db2.gz XYELROVRAYSRKW-QMMMGPOBSA-N 1 2 224.329 1.950 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CC=CCC2)n1 ZINC000824119754 587256920 /nfs/dbraw/zinc/25/69/20/587256920.db2.gz NDLFEXVTUGQACB-UHFFFAOYSA-N 1 2 206.293 1.368 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CC=CCC2)n1 ZINC000824119754 587256922 /nfs/dbraw/zinc/25/69/22/587256922.db2.gz NDLFEXVTUGQACB-UHFFFAOYSA-N 1 2 206.293 1.368 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ncc2F)C1 ZINC000825316207 587314254 /nfs/dbraw/zinc/31/42/54/587314254.db2.gz LUHIYIAJOWRWQS-SCZZXKLOSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000825316207 587314255 /nfs/dbraw/zinc/31/42/55/587314255.db2.gz LUHIYIAJOWRWQS-SCZZXKLOSA-N 1 2 242.269 1.563 20 0 BDADLO CN(CC(C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000825498031 587321877 /nfs/dbraw/zinc/32/18/77/587321877.db2.gz RVBOTWBHSRSGIQ-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CON(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000825903312 587344636 /nfs/dbraw/zinc/34/46/36/587344636.db2.gz CSHUPJYYTIUKNY-UHFFFAOYSA-N 1 2 234.259 1.668 20 0 BDADLO c1cc(C[NH+]2CC3(CC3)C2)n(CC2CC2)n1 ZINC000826030370 587348983 /nfs/dbraw/zinc/34/89/83/587348983.db2.gz XVBLDYGZYNQKOL-UHFFFAOYSA-N 1 2 217.316 1.889 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2C[C@H]2C)c1-c1nn[nH]n1 ZINC000826313273 587352002 /nfs/dbraw/zinc/35/20/02/587352002.db2.gz ALJFKNKFBLWBLA-RKDXNWHRSA-N 1 2 244.302 1.638 20 0 BDADLO Cc1cc[nH+]c(N(C)C2CC2)c1-c1nn[nH]n1 ZINC000826309543 587352394 /nfs/dbraw/zinc/35/23/94/587352394.db2.gz SJTAZAALWGKQBT-UHFFFAOYSA-N 1 2 230.275 1.169 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826703676 587359624 /nfs/dbraw/zinc/35/96/24/587359624.db2.gz HRXKYANQJKLLMX-HONMWMINSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826703676 587359625 /nfs/dbraw/zinc/35/96/25/587359625.db2.gz HRXKYANQJKLLMX-HONMWMINSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826736164 587360682 /nfs/dbraw/zinc/36/06/82/587360682.db2.gz HRXKYANQJKLLMX-DDTOSNHZSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826736164 587360683 /nfs/dbraw/zinc/36/06/83/587360683.db2.gz HRXKYANQJKLLMX-DDTOSNHZSA-N 1 2 244.338 1.945 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000867043133 587362517 /nfs/dbraw/zinc/36/25/17/587362517.db2.gz XDLWXIFUDDWGJQ-RKDXNWHRSA-N 1 2 234.299 1.830 20 0 BDADLO Cc1csc(N(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC000827027104 587368207 /nfs/dbraw/zinc/36/82/07/587368207.db2.gz XEHQBIJXQFYWKT-UHFFFAOYSA-N 1 2 236.300 1.380 20 0 BDADLO COCC[N@H+](CCF)Cc1cccn1C ZINC000827054463 587369191 /nfs/dbraw/zinc/36/91/91/587369191.db2.gz UAAVJISEMQPBCU-UHFFFAOYSA-N 1 2 214.284 1.443 20 0 BDADLO COCC[N@@H+](CCF)Cc1cccn1C ZINC000827054463 587369192 /nfs/dbraw/zinc/36/91/92/587369192.db2.gz UAAVJISEMQPBCU-UHFFFAOYSA-N 1 2 214.284 1.443 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000827119594 587370441 /nfs/dbraw/zinc/37/04/41/587370441.db2.gz ALNAPCGKJMYJKS-KOLCDFICSA-N 1 2 248.330 1.768 20 0 BDADLO CC[C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000827169027 587371847 /nfs/dbraw/zinc/37/18/47/587371847.db2.gz BNHQHCMUVQLEEK-VIFPVBQESA-N 1 2 209.293 1.457 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2csnn2)c2ccccc21 ZINC000827178322 587371993 /nfs/dbraw/zinc/37/19/93/587371993.db2.gz HRYMBYZMXIARGX-RYUDHWBXSA-N 1 2 247.323 1.806 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](c2ccco2)C1 ZINC000827177679 587372165 /nfs/dbraw/zinc/37/21/65/587372165.db2.gz AMOZIUCITCRTQA-JTQLQIEISA-N 1 2 245.282 1.561 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1CCC=CO1 ZINC000827352662 587378136 /nfs/dbraw/zinc/37/81/36/587378136.db2.gz MSJUCOCOLSLVAY-PWSUYJOCSA-N 1 2 245.294 1.560 20 0 BDADLO CCC1(CC(=O)NCc2[nH]cc(C)[nH+]2)COC1 ZINC000827582393 587389959 /nfs/dbraw/zinc/38/99/59/587389959.db2.gz IYUUOACFDMTMKZ-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1noc(C)c1[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000827728848 587399855 /nfs/dbraw/zinc/39/98/55/587399855.db2.gz PHPFWKIERBUKEM-SSDOTTSWSA-N 1 2 248.286 1.434 20 0 BDADLO C[N@H+](Cc1ccnc(Cl)c1F)C1(CO)CC1 ZINC000827903539 587408758 /nfs/dbraw/zinc/40/87/58/587408758.db2.gz JPFAXZIQLCQBAM-UHFFFAOYSA-N 1 2 244.697 1.831 20 0 BDADLO C[N@@H+](Cc1ccnc(Cl)c1F)C1(CO)CC1 ZINC000827903539 587408760 /nfs/dbraw/zinc/40/87/60/587408760.db2.gz JPFAXZIQLCQBAM-UHFFFAOYSA-N 1 2 244.697 1.831 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000828052459 587417527 /nfs/dbraw/zinc/41/75/27/587417527.db2.gz IZYNLLXBZPCCHA-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO CCCONC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000828343701 587437159 /nfs/dbraw/zinc/43/71/59/587437159.db2.gz IRXBLYBJVUHRBP-UHFFFAOYSA-N 1 2 237.303 1.839 20 0 BDADLO CCc1cc(N[C@H]2CCn3cc[nH+]c32)ncn1 ZINC000828357205 587438126 /nfs/dbraw/zinc/43/81/26/587438126.db2.gz AJIOVSWUTBXDFM-JTQLQIEISA-N 1 2 229.287 1.792 20 0 BDADLO CCc1nsc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000828357959 587438215 /nfs/dbraw/zinc/43/82/15/587438215.db2.gz NVKYUPBOKDOWGM-SSDOTTSWSA-N 1 2 235.316 1.854 20 0 BDADLO CCc1ncnc(N[C@@H]2CCn3cc[nH+]c32)c1F ZINC000828358843 587438451 /nfs/dbraw/zinc/43/84/51/587438451.db2.gz VOGSRSVOUYDBFL-SECBINFHSA-N 1 2 247.277 1.932 20 0 BDADLO CCc1nocc1C[N@H+](C)CC[S@@](C)=O ZINC000828581068 587451660 /nfs/dbraw/zinc/45/16/60/587451660.db2.gz FCIFEHFIFJQMKG-OAHLLOKOSA-N 1 2 230.333 1.047 20 0 BDADLO CCc1nocc1C[N@@H+](C)CC[S@@](C)=O ZINC000828581068 587451661 /nfs/dbraw/zinc/45/16/61/587451661.db2.gz FCIFEHFIFJQMKG-OAHLLOKOSA-N 1 2 230.333 1.047 20 0 BDADLO C[N@H+](Cc1csc(Cl)n1)C1CC(O)C1 ZINC000828868215 587467629 /nfs/dbraw/zinc/46/76/29/587467629.db2.gz LGZTUDLFTYYRSN-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO C[N@@H+](Cc1csc(Cl)n1)C1CC(O)C1 ZINC000828868215 587467630 /nfs/dbraw/zinc/46/76/30/587467630.db2.gz LGZTUDLFTYYRSN-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829142384 587484518 /nfs/dbraw/zinc/48/45/18/587484518.db2.gz AYAITAIKEDWHLY-MRVPVSSYSA-N 1 2 241.722 1.523 20 0 BDADLO COC[C@@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829142384 587484519 /nfs/dbraw/zinc/48/45/19/587484519.db2.gz AYAITAIKEDWHLY-MRVPVSSYSA-N 1 2 241.722 1.523 20 0 BDADLO C[C@H]1CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829144010 587484741 /nfs/dbraw/zinc/48/47/41/587484741.db2.gz ALSROONRDYTOID-NWALNABHSA-N 1 2 205.261 1.054 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143546 587484818 /nfs/dbraw/zinc/48/48/18/587484818.db2.gz RGJWPHPHOJMELD-VIFPVBQESA-N 1 2 241.722 1.259 20 0 BDADLO CC[C@H](O)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143546 587484819 /nfs/dbraw/zinc/48/48/19/587484819.db2.gz RGJWPHPHOJMELD-VIFPVBQESA-N 1 2 241.722 1.259 20 0 BDADLO CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000829221791 587489071 /nfs/dbraw/zinc/48/90/71/587489071.db2.gz VJZRWOLIOOMVQY-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C3CCC3)cc2C1 ZINC000829473117 587499866 /nfs/dbraw/zinc/49/98/66/587499866.db2.gz XQRHCVMVHAHGCQ-UHFFFAOYSA-N 1 2 234.303 1.067 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C3CCC3)cc2C1 ZINC000829473117 587499867 /nfs/dbraw/zinc/49/98/67/587499867.db2.gz XQRHCVMVHAHGCQ-UHFFFAOYSA-N 1 2 234.303 1.067 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000829514356 587501351 /nfs/dbraw/zinc/50/13/51/587501351.db2.gz VCIYWDXODYPXDC-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829868049 587525831 /nfs/dbraw/zinc/52/58/31/587525831.db2.gz ZXBBFJWKRJFITP-OGZRUICASA-N 1 2 241.316 1.078 20 0 BDADLO CN(CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000830743761 587566456 /nfs/dbraw/zinc/56/64/56/587566456.db2.gz ICYRXYYBVYLUDU-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)OC1CCCCC1 ZINC000867068118 587566659 /nfs/dbraw/zinc/56/66/59/587566659.db2.gz GXDMUXHOEFPFFG-UHFFFAOYSA-N 1 2 237.303 1.979 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CCC(=O)C2)cc[nH+]1 ZINC000830891329 587575362 /nfs/dbraw/zinc/57/53/62/587575362.db2.gz DMIWGQIWPUFZSG-VIFPVBQESA-N 1 2 234.255 1.076 20 0 BDADLO CC(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000831087478 587585783 /nfs/dbraw/zinc/58/57/83/587585783.db2.gz MFYGLFMMYWTHNN-UHFFFAOYSA-N 1 2 207.277 1.067 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000831331844 587599109 /nfs/dbraw/zinc/59/91/09/587599109.db2.gz ARRWVBDUMDUVQZ-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000831331843 587599112 /nfs/dbraw/zinc/59/91/12/587599112.db2.gz ARRWVBDUMDUVQZ-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO CCON(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000831451553 587608562 /nfs/dbraw/zinc/60/85/62/587608562.db2.gz UYYBHTIHHNNSLK-RKDXNWHRSA-N 1 2 223.276 1.313 20 0 BDADLO CCON(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000831451553 587608564 /nfs/dbraw/zinc/60/85/64/587608564.db2.gz UYYBHTIHHNNSLK-RKDXNWHRSA-N 1 2 223.276 1.313 20 0 BDADLO CCON(CC)C(=O)c1cccc2[nH+]ccn21 ZINC000831470946 587611616 /nfs/dbraw/zinc/61/16/16/587611616.db2.gz HOSZOICNTWWUKP-UHFFFAOYSA-N 1 2 233.271 1.748 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000832165337 587647391 /nfs/dbraw/zinc/64/73/91/587647391.db2.gz SWQCWFJGXLXODK-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](O)C[N@H+](CCCCCCO)CC(F)F ZINC000832196257 587649709 /nfs/dbraw/zinc/64/97/09/587649709.db2.gz PYXXUVJDJPEPGF-JTQLQIEISA-N 1 2 239.306 1.487 20 0 BDADLO C[C@H](O)C[N@@H+](CCCCCCO)CC(F)F ZINC000832196257 587649710 /nfs/dbraw/zinc/64/97/10/587649710.db2.gz PYXXUVJDJPEPGF-JTQLQIEISA-N 1 2 239.306 1.487 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1C/C(Cl)=C\Cl ZINC000832219739 587651066 /nfs/dbraw/zinc/65/10/66/587651066.db2.gz ITPDYLTYXBIIQE-AIVTYHFNSA-N 1 2 210.104 1.761 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1C/C(Cl)=C\Cl ZINC000832219739 587651068 /nfs/dbraw/zinc/65/10/68/587651068.db2.gz ITPDYLTYXBIIQE-AIVTYHFNSA-N 1 2 210.104 1.761 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832655605 587674293 /nfs/dbraw/zinc/67/42/93/587674293.db2.gz RNAJOFCYQRFORY-DTWKUNHWSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000834642254 587762527 /nfs/dbraw/zinc/76/25/27/587762527.db2.gz BYLAZIAHRSMMDS-BDAKNGLRSA-N 1 2 239.344 1.353 20 0 BDADLO CC(C)(C)[C@@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000834840345 587768601 /nfs/dbraw/zinc/76/86/01/587768601.db2.gz LXSUEMZVUBOKEP-NSHDSACASA-N 1 2 247.298 1.680 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000835266734 587793487 /nfs/dbraw/zinc/79/34/87/587793487.db2.gz LOLRTQADAIIEAO-IJLUTSLNSA-N 1 2 241.331 1.296 20 0 BDADLO CCCCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836195915 587828423 /nfs/dbraw/zinc/82/84/23/587828423.db2.gz CBHLNIADKDNGMV-SECBINFHSA-N 1 2 222.292 1.427 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(F)F ZINC000836239166 587829473 /nfs/dbraw/zinc/82/94/73/587829473.db2.gz XYHBZVGPLVBNTC-SSDOTTSWSA-N 1 2 231.246 1.735 20 0 BDADLO CC1(CNC(=O)N[C@H]2CCn3cc[nH+]c32)CCC1 ZINC000836341036 587831230 /nfs/dbraw/zinc/83/12/30/587831230.db2.gz MXGMKKLYRQJWDE-JTQLQIEISA-N 1 2 248.330 1.817 20 0 BDADLO Cc1cc(NC(=O)NN2CCCCC2)c(C)c[nH+]1 ZINC000836484291 587834321 /nfs/dbraw/zinc/83/43/21/587834321.db2.gz NLVPSMUWZOJCSZ-UHFFFAOYSA-N 1 2 248.330 1.643 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836522240 587834654 /nfs/dbraw/zinc/83/46/54/587834654.db2.gz IHJGWRNHHBKCAD-OUAUKWLOSA-N 1 2 248.330 1.673 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@H]1CCOC1=O ZINC000102517404 587835555 /nfs/dbraw/zinc/83/55/55/587835555.db2.gz JNPBLZQKPGLUGK-JTQLQIEISA-N 1 2 209.245 1.417 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@H]1CCOC1=O ZINC000102517404 587835556 /nfs/dbraw/zinc/83/55/56/587835556.db2.gz JNPBLZQKPGLUGK-JTQLQIEISA-N 1 2 209.245 1.417 20 0 BDADLO Cc1cc(C)c(CNC(=O)C(=O)C(C)(C)C)c[nH+]1 ZINC000837103260 587853772 /nfs/dbraw/zinc/85/37/72/587853772.db2.gz CCFWIAGYLVHHDH-UHFFFAOYSA-N 1 2 248.326 1.930 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000837618051 587885768 /nfs/dbraw/zinc/88/57/68/587885768.db2.gz RRKIKYXLJZOHRC-GDNZZTSVSA-N 1 2 234.299 1.552 20 0 BDADLO CCC/C(C)=C\C(=O)NCCc1cn(C)c[nH+]1 ZINC000837717120 587892345 /nfs/dbraw/zinc/89/23/45/587892345.db2.gz KGBLYZISIQVRII-FLIBITNWSA-N 1 2 235.331 1.825 20 0 BDADLO CCC[C@@H](OC)C(=O)OCCCn1cc[nH+]c1 ZINC000837795817 587895665 /nfs/dbraw/zinc/89/56/65/587895665.db2.gz CQLHSECMVMPKLQ-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO CC[C@H](O)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000837810048 587897352 /nfs/dbraw/zinc/89/73/52/587897352.db2.gz JAVTYVISYFYPKN-LBPRGKRZSA-N 1 2 237.299 1.903 20 0 BDADLO CC[C@H](O)CC(=O)OCc1c[nH+]ccc1OC ZINC000837811109 587897414 /nfs/dbraw/zinc/89/74/14/587897414.db2.gz PIWZXZASXPILIM-JTQLQIEISA-N 1 2 239.271 1.294 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=S)NC(C)C ZINC000840809113 587922743 /nfs/dbraw/zinc/92/27/43/587922743.db2.gz FQVMQQVTGYRVTH-VIFPVBQESA-N 1 2 240.376 1.837 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000840940393 587930950 /nfs/dbraw/zinc/93/09/50/587930950.db2.gz YESQYNIUHKMRMI-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000840940393 587930951 /nfs/dbraw/zinc/93/09/51/587930951.db2.gz YESQYNIUHKMRMI-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO COC1(CO[NH+]=C(N)[C@@H]2CCCO2)CCC1 ZINC000842046984 587993067 /nfs/dbraw/zinc/99/30/67/587993067.db2.gz IZXLOGOIYRESSK-VIFPVBQESA-N 1 2 228.292 1.233 20 0 BDADLO CC[C@H](COC(=O)c1ccc2[nH+]ccn2c1)OC ZINC000842075825 587996489 /nfs/dbraw/zinc/99/64/89/587996489.db2.gz WBAPGLBCINDRTF-LLVKDONJSA-N 1 2 248.282 1.916 20 0 BDADLO CCC[C@H](C)c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000842490363 588030504 /nfs/dbraw/zinc/03/05/04/588030504.db2.gz LWYSOGUSEYHHRR-UWVGGRQHSA-N 1 2 239.319 1.976 20 0 BDADLO CCC[C@H](C)c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000842490363 588030505 /nfs/dbraw/zinc/03/05/05/588030505.db2.gz LWYSOGUSEYHHRR-UWVGGRQHSA-N 1 2 239.319 1.976 20 0 BDADLO CCc1nn(C[N@@H+]2CCC[C@H]2C)c(=O)n1CC ZINC000842598314 588044883 /nfs/dbraw/zinc/04/48/83/588044883.db2.gz IKMQUPVFIYVSTO-SNVBAGLBSA-N 1 2 238.335 1.069 20 0 BDADLO CCc1nn(C[N@H+]2CCC[C@H]2C)c(=O)n1CC ZINC000842598314 588044885 /nfs/dbraw/zinc/04/48/85/588044885.db2.gz IKMQUPVFIYVSTO-SNVBAGLBSA-N 1 2 238.335 1.069 20 0 BDADLO NC(=[NH+]OCC1=CCCC1)[C@@H]1CCCO1 ZINC000842650041 588048978 /nfs/dbraw/zinc/04/89/78/588048978.db2.gz IVVQLUMKSXBOJL-JTQLQIEISA-N 1 2 210.277 1.774 20 0 BDADLO CC(C)CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842660262 588050434 /nfs/dbraw/zinc/05/04/34/588050434.db2.gz HUMZHKHCDZDXEF-SNVBAGLBSA-N 1 2 230.308 1.194 20 0 BDADLO NC(COC[C@@H]1CCOC1)=[NH+]OC1CCC1 ZINC000842662579 588050620 /nfs/dbraw/zinc/05/06/20/588050620.db2.gz ULTQDIMTNRVMPJ-SECBINFHSA-N 1 2 228.292 1.090 20 0 BDADLO CCCCCC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000843081121 588079972 /nfs/dbraw/zinc/07/99/72/588079972.db2.gz POQBPEOSGACSNB-JTQLQIEISA-N 1 2 239.306 1.535 20 0 BDADLO Cc1ccccc1[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000843081397 588080214 /nfs/dbraw/zinc/08/02/14/588080214.db2.gz RLRJCUBEEKEXGV-NSHDSACASA-N 1 2 245.269 1.246 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)CCCOC)n1 ZINC000843145019 588086466 /nfs/dbraw/zinc/08/64/66/588086466.db2.gz RPCUOLLYLIVDBL-SECBINFHSA-N 1 2 227.308 1.709 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@H](CC)C2)n1 ZINC000843145130 588086907 /nfs/dbraw/zinc/08/69/07/588086907.db2.gz UVPGJLBNSHCQIO-NXEZZACHSA-N 1 2 239.319 1.852 20 0 BDADLO CC[NH2+]Cc1noc(Cc2csc(C)n2)n1 ZINC000843145752 588086996 /nfs/dbraw/zinc/08/69/96/588086996.db2.gz NTBJZOIPUWFGSU-UHFFFAOYSA-N 1 2 238.316 1.535 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(C(F)F)CC1 ZINC000843544780 588121551 /nfs/dbraw/zinc/12/15/51/588121551.db2.gz IQMRSDLSFSTOIQ-UHFFFAOYSA-N 1 2 226.226 1.796 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(C(F)F)CC1 ZINC000843899990 588149173 /nfs/dbraw/zinc/14/91/73/588149173.db2.gz ROTNIEIDJLCGSH-UHFFFAOYSA-N 1 2 243.257 1.565 20 0 BDADLO O=C1O[C@H](C[N@H+]2CCC=C(F)C2)CN1C1CC1 ZINC000844316366 588183625 /nfs/dbraw/zinc/18/36/25/588183625.db2.gz MPVOVSMMKOVCQZ-LLVKDONJSA-N 1 2 240.278 1.529 20 0 BDADLO O=C1O[C@H](C[N@@H+]2CCC=C(F)C2)CN1C1CC1 ZINC000844316366 588183626 /nfs/dbraw/zinc/18/36/26/588183626.db2.gz MPVOVSMMKOVCQZ-LLVKDONJSA-N 1 2 240.278 1.529 20 0 BDADLO C[C@H](CC(=O)OCc1ccn(C)n1)n1cc[nH+]c1 ZINC000844348918 588186488 /nfs/dbraw/zinc/18/64/88/588186488.db2.gz DIETZKLNEAOWAF-SNVBAGLBSA-N 1 2 248.286 1.311 20 0 BDADLO O=C1OCC[C@H]1CC[N@H+]1CCCC(F)(F)C1 ZINC000844375590 588188402 /nfs/dbraw/zinc/18/84/02/588188402.db2.gz SBFOFGNJPIOUOV-SECBINFHSA-N 1 2 233.258 1.671 20 0 BDADLO O=C1OCC[C@H]1CC[N@@H+]1CCCC(F)(F)C1 ZINC000844375590 588188403 /nfs/dbraw/zinc/18/84/03/588188403.db2.gz SBFOFGNJPIOUOV-SECBINFHSA-N 1 2 233.258 1.671 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)OCC23CCC3)cn1 ZINC000844423979 588191756 /nfs/dbraw/zinc/19/17/56/588191756.db2.gz ZISIBVKHONCLBH-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)OCC23CCC3)cn1 ZINC000844423979 588191757 /nfs/dbraw/zinc/19/17/57/588191757.db2.gz ZISIBVKHONCLBH-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438808 588193342 /nfs/dbraw/zinc/19/33/42/588193342.db2.gz SWOXOBRBUUROGD-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438808 588193343 /nfs/dbraw/zinc/19/33/43/588193343.db2.gz SWOXOBRBUUROGD-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO Fc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)nc1 ZINC000844458253 588196422 /nfs/dbraw/zinc/19/64/22/588196422.db2.gz NSDKDYNIAWXAIW-AOOOYVTPSA-N 1 2 228.217 1.918 20 0 BDADLO Fc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)nc1 ZINC000844458253 588196423 /nfs/dbraw/zinc/19/64/23/588196423.db2.gz NSDKDYNIAWXAIW-AOOOYVTPSA-N 1 2 228.217 1.918 20 0 BDADLO CN(C[C@H]1CC=CCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867358008 588196841 /nfs/dbraw/zinc/19/68/41/588196841.db2.gz JVIMQFUGXJEFCP-JQWIXIFHSA-N 1 2 249.314 1.258 20 0 BDADLO COCC(C)=CC(=O)Nc1cc[nH+]c(C)c1 ZINC000844466142 588197857 /nfs/dbraw/zinc/19/78/57/588197857.db2.gz YMPUBYPWXZYYDI-RMKNXTFCSA-N 1 2 220.272 1.343 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1CCC=CO1)n1cc[nH+]c1 ZINC000844489730 588199510 /nfs/dbraw/zinc/19/95/10/588199510.db2.gz KJNNYTNKLQTYGT-NEPJUHHUSA-N 1 2 249.314 1.643 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=O)n1C ZINC000844684611 588213804 /nfs/dbraw/zinc/21/38/04/588213804.db2.gz MWZUZUHSQAUILY-SECBINFHSA-N 1 2 240.351 1.214 20 0 BDADLO Cc1nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=O)n1C ZINC000844684611 588213805 /nfs/dbraw/zinc/21/38/05/588213805.db2.gz MWZUZUHSQAUILY-SECBINFHSA-N 1 2 240.351 1.214 20 0 BDADLO O=C1CC2(CCCC2)N1C[N@H+]1CC[C@H](F)C1 ZINC000844708185 588214383 /nfs/dbraw/zinc/21/43/83/588214383.db2.gz KIPZMZZAPSXRTG-JTQLQIEISA-N 1 2 226.295 1.533 20 0 BDADLO O=C1CC2(CCCC2)N1C[N@@H+]1CC[C@H](F)C1 ZINC000844708185 588214385 /nfs/dbraw/zinc/21/43/85/588214385.db2.gz KIPZMZZAPSXRTG-JTQLQIEISA-N 1 2 226.295 1.533 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1CN1CCCC1=O ZINC000844723872 588215419 /nfs/dbraw/zinc/21/54/19/588215419.db2.gz ZICUQRMUCYIEBP-LLVKDONJSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1CN1CCCC1=O ZINC000844723872 588215420 /nfs/dbraw/zinc/21/54/20/588215420.db2.gz ZICUQRMUCYIEBP-LLVKDONJSA-N 1 2 240.347 1.456 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278106 588225044 /nfs/dbraw/zinc/22/50/44/588225044.db2.gz LRKTVAKWMDIPEY-WCBMZHEXSA-N 1 2 224.260 1.355 20 0 BDADLO Cc1cc(COC(=O)C[C@@H](C)n2cc[nH+]c2)on1 ZINC000845277598 588225184 /nfs/dbraw/zinc/22/51/84/588225184.db2.gz IIEPUPGEIKJOAL-SNVBAGLBSA-N 1 2 249.270 1.874 20 0 BDADLO C[C@@H](CC(=O)OC[C@H]1CCOC1)n1cc[nH+]c1 ZINC000845280261 588225512 /nfs/dbraw/zinc/22/55/12/588225512.db2.gz IBYRESJSJHPIIY-QWRGUYRKSA-N 1 2 238.287 1.414 20 0 BDADLO C[C@H](CC(=O)OCCn1cccn1)n1cc[nH+]c1 ZINC000845282987 588225574 /nfs/dbraw/zinc/22/55/74/588225574.db2.gz WPIRTENHRNOWPW-LLVKDONJSA-N 1 2 248.286 1.274 20 0 BDADLO COC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283211 588225628 /nfs/dbraw/zinc/22/56/28/588225628.db2.gz AFMASXJCHIUOAT-NXEZZACHSA-N 1 2 226.276 1.412 20 0 BDADLO C[C@H](CC(=O)O[C@H]1CCCOC1)n1cc[nH+]c1 ZINC000845490276 588230393 /nfs/dbraw/zinc/23/03/93/588230393.db2.gz WZZDPBBQNUNOGT-MNOVXSKESA-N 1 2 238.287 1.556 20 0 BDADLO COC[C@@H](C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845518199 588231574 /nfs/dbraw/zinc/23/15/74/588231574.db2.gz GSRUJYXNWMEEPR-MNOVXSKESA-N 1 2 240.303 1.660 20 0 BDADLO CCOC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845528029 588232114 /nfs/dbraw/zinc/23/21/14/588232114.db2.gz ROBFPCFEBZZOBX-GHMZBOCLSA-N 1 2 240.303 1.802 20 0 BDADLO CO[C@H]1C[C@@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000845573291 588233602 /nfs/dbraw/zinc/23/36/02/588233602.db2.gz OOHCTPLKZVTVBL-MXWKQRLJSA-N 1 2 238.287 1.555 20 0 BDADLO O=C1C[N@H+](Cc2cc3cnccc3o2)CCCN1 ZINC000845904837 588250017 /nfs/dbraw/zinc/25/00/17/588250017.db2.gz KCIZAUKTJNETLK-UHFFFAOYSA-N 1 2 245.282 1.150 20 0 BDADLO O=C1C[N@@H+](Cc2cc3cnccc3o2)CCCN1 ZINC000845904837 588250018 /nfs/dbraw/zinc/25/00/18/588250018.db2.gz KCIZAUKTJNETLK-UHFFFAOYSA-N 1 2 245.282 1.150 20 0 BDADLO COC/C(C)=C/C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000845910314 588250272 /nfs/dbraw/zinc/25/02/72/588250272.db2.gz LCMWPKWUCJDDBQ-UQSGXBNBSA-N 1 2 249.314 1.666 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000846090457 588255782 /nfs/dbraw/zinc/25/57/82/588255782.db2.gz AVJSHRSZKPVEHR-WDEREUQCSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000846087472 588255804 /nfs/dbraw/zinc/25/58/04/588255804.db2.gz UDRUFKOAKBTCPX-NEPJUHHUSA-N 1 2 240.347 1.636 20 0 BDADLO CCONC(=O)C[NH2+]C1CC(C(C)C)C1 ZINC000846091361 588255867 /nfs/dbraw/zinc/25/58/67/588255867.db2.gz LIZNHWQMWRAOGK-UHFFFAOYSA-N 1 2 214.309 1.078 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000846086901 588255945 /nfs/dbraw/zinc/25/59/45/588255945.db2.gz QCQAFRIIJMYLDH-JTQLQIEISA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCCC12CCC2 ZINC000846090836 588256373 /nfs/dbraw/zinc/25/63/73/588256373.db2.gz KLYKJAFKAYUYPF-SNVBAGLBSA-N 1 2 226.320 1.367 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000846119898 588258011 /nfs/dbraw/zinc/25/80/11/588258011.db2.gz JOMQIASRMCLBQS-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000846119898 588258012 /nfs/dbraw/zinc/25/80/12/588258012.db2.gz JOMQIASRMCLBQS-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C(/C)COC ZINC000846238416 588262331 /nfs/dbraw/zinc/26/23/31/588262331.db2.gz NNGULXXCBIYLAM-YFHOEESVSA-N 1 2 237.303 1.112 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc2nonc2c1 ZINC000846791865 588288400 /nfs/dbraw/zinc/28/84/00/588288400.db2.gz ZWSNUQXFCWPBRB-UHFFFAOYSA-N 1 2 249.270 1.218 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846791865 588288401 /nfs/dbraw/zinc/28/84/01/588288401.db2.gz ZWSNUQXFCWPBRB-UHFFFAOYSA-N 1 2 249.270 1.218 20 0 BDADLO BrC1(Cn2cc[nH+]c2)CC1 ZINC000846815963 588290971 /nfs/dbraw/zinc/29/09/71/588290971.db2.gz CCQFMXNHRYIKPG-UHFFFAOYSA-N 1 2 201.067 1.811 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846837966 588292369 /nfs/dbraw/zinc/29/23/69/588292369.db2.gz SKYJCACEDLIBSY-ZCFIWIBFSA-N 1 2 219.260 1.625 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846837966 588292370 /nfs/dbraw/zinc/29/23/70/588292370.db2.gz SKYJCACEDLIBSY-ZCFIWIBFSA-N 1 2 219.260 1.625 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000846852230 588293239 /nfs/dbraw/zinc/29/32/39/588293239.db2.gz WOFKMVRTPNPHRL-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846852230 588293240 /nfs/dbraw/zinc/29/32/40/588293240.db2.gz WOFKMVRTPNPHRL-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CSCCC[N@H+](C)Cc1cnsn1 ZINC000846888966 588295681 /nfs/dbraw/zinc/29/56/81/588295681.db2.gz KLKZIODDKMLJQY-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CSCCC[N@@H+](C)Cc1cnsn1 ZINC000846888966 588295682 /nfs/dbraw/zinc/29/56/82/588295682.db2.gz KLKZIODDKMLJQY-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CC(=O)C1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000846946543 588298109 /nfs/dbraw/zinc/29/81/09/588298109.db2.gz JHZIKLDVWWZJOM-UHFFFAOYSA-N 1 2 241.331 1.487 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCC1(C)C ZINC000846963218 588298751 /nfs/dbraw/zinc/29/87/51/588298751.db2.gz XNTPNUCWJXMINE-JTQLQIEISA-N 1 2 213.321 1.964 20 0 BDADLO CON1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000846970427 588299164 /nfs/dbraw/zinc/29/91/64/588299164.db2.gz FOXNKAUKIVODQP-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO Cl/C=C(/Cl)C[N@@H+]1CCn2nncc2C1 ZINC000847018660 588301989 /nfs/dbraw/zinc/30/19/89/588301989.db2.gz QKPHYYYJWDIEQK-XVNBXDOJSA-N 1 2 233.102 1.413 20 0 BDADLO Cl/C=C(/Cl)C[N@H+]1CCn2nncc2C1 ZINC000847018660 588301990 /nfs/dbraw/zinc/30/19/90/588301990.db2.gz QKPHYYYJWDIEQK-XVNBXDOJSA-N 1 2 233.102 1.413 20 0 BDADLO CCO/C=C/C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000847437341 588313427 /nfs/dbraw/zinc/31/34/27/588313427.db2.gz LDJWDIPDBZJSNB-LHXVZLOVSA-N 1 2 249.314 1.597 20 0 BDADLO CO[C@@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000107288041 588346281 /nfs/dbraw/zinc/34/62/81/588346281.db2.gz KICICDWHFSANHT-VIFPVBQESA-N 1 2 208.261 1.754 20 0 BDADLO C[N@@H+]1CCN(C(=O)C(=O)C(C)(C)C)CC1(C)C ZINC000848033009 588348729 /nfs/dbraw/zinc/34/87/29/588348729.db2.gz IJJYKFGCTRUIKC-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO C[N@H+]1CCN(C(=O)C(=O)C(C)(C)C)CC1(C)C ZINC000848033009 588348731 /nfs/dbraw/zinc/34/87/31/588348731.db2.gz IJJYKFGCTRUIKC-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NOCC3CC3)ccn12 ZINC000848129784 588359127 /nfs/dbraw/zinc/35/91/27/588359127.db2.gz XJZQNGBZORYFOQ-UHFFFAOYSA-N 1 2 245.282 1.714 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1ccc(C)nc1 ZINC000848509189 588388533 /nfs/dbraw/zinc/38/85/33/588388533.db2.gz GRPDHYJNCBXOAZ-SECBINFHSA-N 1 2 223.276 1.423 20 0 BDADLO COc1c(C)[nH+]cnc1NCCc1cccnc1 ZINC000848644296 588403522 /nfs/dbraw/zinc/40/35/22/588403522.db2.gz MNEGGTDIFZFWDP-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](O)c1ccco1 ZINC000848644583 588403581 /nfs/dbraw/zinc/40/35/81/588403581.db2.gz MPFQJFGISHEYIL-SECBINFHSA-N 1 2 249.270 1.532 20 0 BDADLO Cc1nc(NC[C@@H]2CN(C3CC3)C(=O)O2)cc[nH+]1 ZINC000848793269 588413448 /nfs/dbraw/zinc/41/34/48/588413448.db2.gz LMWKEVCFTLMZHN-SNVBAGLBSA-N 1 2 248.286 1.180 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OC[C@@H](C)CO)ccn12 ZINC000848782444 588413873 /nfs/dbraw/zinc/41/38/73/588413873.db2.gz JTUFRBBUKJBPQF-VIFPVBQESA-N 1 2 248.282 1.428 20 0 BDADLO Cn1c(Cl)ncc1C[N@H+](C)Cc1cn[nH]c1 ZINC000848887187 588416596 /nfs/dbraw/zinc/41/65/96/588416596.db2.gz PTSUUFUMQNZEET-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO Cn1c(Cl)ncc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000848887187 588416597 /nfs/dbraw/zinc/41/65/97/588416597.db2.gz PTSUUFUMQNZEET-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO c1c(C[NH+]2CC3(CC3)C2)nn2c1CCCC2 ZINC000848914461 588420260 /nfs/dbraw/zinc/42/02/60/588420260.db2.gz NLVFHWHEQJGAFH-UHFFFAOYSA-N 1 2 217.316 1.815 20 0 BDADLO Cn1c(C[NH+]2CC3(CC3)C2)cnc1Cl ZINC000848914459 588420400 /nfs/dbraw/zinc/42/04/00/588420400.db2.gz NFGIYJMQMBTXAQ-UHFFFAOYSA-N 1 2 211.696 1.669 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1CC=CCC1 ZINC000849168616 588458981 /nfs/dbraw/zinc/45/89/81/588458981.db2.gz WXJZSKZQDLKHFI-GFCCVEGCSA-N 1 2 239.315 1.218 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1nncn1C ZINC000849345727 588474421 /nfs/dbraw/zinc/47/44/21/588474421.db2.gz RCPVKJPOHFEMLT-UHFFFAOYSA-N 1 2 220.280 1.205 20 0 BDADLO CC(C)[C@H](O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000849733696 588490956 /nfs/dbraw/zinc/49/09/56/588490956.db2.gz UOBGYHXNQHHVLB-WDEREUQCSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)[C@H](O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000849733696 588490957 /nfs/dbraw/zinc/49/09/57/588490957.db2.gz UOBGYHXNQHHVLB-WDEREUQCSA-N 1 2 229.320 1.031 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1COC(C)(C)C1 ZINC000849732781 588491305 /nfs/dbraw/zinc/49/13/05/588491305.db2.gz MFPAITSIOCZCHK-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1COC(C)(C)C1 ZINC000849732781 588491306 /nfs/dbraw/zinc/49/13/06/588491306.db2.gz MFPAITSIOCZCHK-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO CCCn1nccc1C(=O)OCCn1cc[nH+]c1 ZINC000850241342 588531258 /nfs/dbraw/zinc/53/12/58/588531258.db2.gz CILQPYFRSITDRZ-UHFFFAOYSA-N 1 2 248.286 1.347 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)s1 ZINC000850352434 588538128 /nfs/dbraw/zinc/53/81/28/588538128.db2.gz WMAPNQXAKAXIIA-GMSGAONNSA-N 1 2 249.343 1.839 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)nn1 ZINC000850371795 588541128 /nfs/dbraw/zinc/54/11/28/588541128.db2.gz MBGHKBLXSQMBLB-OLZOCXBDSA-N 1 2 244.298 1.083 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850372164 588541566 /nfs/dbraw/zinc/54/15/66/588541566.db2.gz QNXRQIJTMGVEMC-CHWSQXEVSA-N 1 2 243.310 1.688 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1CC2(CC2)C1 ZINC000850868873 588571812 /nfs/dbraw/zinc/57/18/12/588571812.db2.gz JWPZVKMSAOYEAM-UHFFFAOYSA-N 1 2 220.272 1.654 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC1(C)C ZINC000850869273 588572088 /nfs/dbraw/zinc/57/20/88/588572088.db2.gz QOXLXHSIKWXKSA-JTQLQIEISA-N 1 2 222.288 1.900 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCC1(C)C ZINC000850869274 588572309 /nfs/dbraw/zinc/57/23/09/588572309.db2.gz QOXLXHSIKWXKSA-SNVBAGLBSA-N 1 2 222.288 1.900 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CCc2c[nH]nn2)no1 ZINC000851716489 588616403 /nfs/dbraw/zinc/61/64/03/588616403.db2.gz NHRLEYLPLCOVFR-LBPRGKRZSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CCc2c[nH]nn2)no1 ZINC000851716489 588616404 /nfs/dbraw/zinc/61/64/04/588616404.db2.gz NHRLEYLPLCOVFR-LBPRGKRZSA-N 1 2 247.302 1.481 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC000851721606 588617296 /nfs/dbraw/zinc/61/72/96/588617296.db2.gz NOEZWSQMNNVSGY-SSDOTTSWSA-N 1 2 237.130 1.645 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC000851721606 588617297 /nfs/dbraw/zinc/61/72/97/588617297.db2.gz NOEZWSQMNNVSGY-SSDOTTSWSA-N 1 2 237.130 1.645 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cccc(F)n1 ZINC000851735592 588620660 /nfs/dbraw/zinc/62/06/60/588620660.db2.gz YEBRIGSTSLTTRT-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cccc(F)n1 ZINC000851735592 588620661 /nfs/dbraw/zinc/62/06/61/588620661.db2.gz YEBRIGSTSLTTRT-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO c1cn([C@@H]2CCCN(Cc3cnon3)C2)c[nH+]1 ZINC000851752603 588623755 /nfs/dbraw/zinc/62/37/55/588623755.db2.gz FMBCDVHOIISEQA-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO CCn1ncc(C[NH+]2CCC(O)(CC)CC2)n1 ZINC000851786073 588628882 /nfs/dbraw/zinc/62/88/82/588628882.db2.gz WBLMIUCIBVAFQS-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO C[N@@H+](Cc1cnccn1)Cc1cccc(F)n1 ZINC000851803085 588631279 /nfs/dbraw/zinc/63/12/79/588631279.db2.gz CGQKZKFBOCWXPX-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO C[N@H+](Cc1cnccn1)Cc1cccc(F)n1 ZINC000851803085 588631280 /nfs/dbraw/zinc/63/12/80/588631280.db2.gz CGQKZKFBOCWXPX-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO CC(C)(C)[N@H+](CC=C(Cl)Cl)CC(N)=O ZINC000851818564 588633515 /nfs/dbraw/zinc/63/35/15/588633515.db2.gz IJXXVCXEBDIOGA-UHFFFAOYSA-N 1 2 239.146 1.891 20 0 BDADLO CC(C)(C)[N@@H+](CC=C(Cl)Cl)CC(N)=O ZINC000851818564 588633516 /nfs/dbraw/zinc/63/35/16/588633516.db2.gz IJXXVCXEBDIOGA-UHFFFAOYSA-N 1 2 239.146 1.891 20 0 BDADLO CCC1(CO)CC[NH+](Cc2cnon2)CC1 ZINC000851882788 588639315 /nfs/dbraw/zinc/63/93/15/588639315.db2.gz HCORGRNCBYHJAO-UHFFFAOYSA-N 1 2 225.292 1.054 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOC(F)F ZINC000851886952 588640682 /nfs/dbraw/zinc/64/06/82/588640682.db2.gz VTPPAACIAGCJOL-QMMMGPOBSA-N 1 2 246.261 1.191 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCOC(F)F ZINC000851886952 588640683 /nfs/dbraw/zinc/64/06/83/588640683.db2.gz VTPPAACIAGCJOL-QMMMGPOBSA-N 1 2 246.261 1.191 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)Br)[C@H](C)CO ZINC000851933879 588645444 /nfs/dbraw/zinc/64/54/44/588645444.db2.gz VUQKGIXPOXETDJ-PHDIDXHHSA-N 1 2 246.095 1.581 20 0 BDADLO C[C@@H]1CC[N@H+](CCOC(F)F)CC[S@@]1=O ZINC000851985629 588651828 /nfs/dbraw/zinc/65/18/28/588651828.db2.gz OLMSRWNZRQQIQG-GLEZIHRCSA-N 1 2 241.303 1.069 20 0 BDADLO C[C@@H]1CC[N@@H+](CCOC(F)F)CC[S@@]1=O ZINC000851985629 588651829 /nfs/dbraw/zinc/65/18/29/588651829.db2.gz OLMSRWNZRQQIQG-GLEZIHRCSA-N 1 2 241.303 1.069 20 0 BDADLO FC1(F)CC[NH+](Cc2cnon2)CC1 ZINC000852001221 588654071 /nfs/dbraw/zinc/65/40/71/588654071.db2.gz FZPGJFBOPRUHFS-UHFFFAOYSA-N 1 2 203.192 1.301 20 0 BDADLO O=CN1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC000852073081 588659457 /nfs/dbraw/zinc/65/94/57/588659457.db2.gz OTQNZQKRTGEOGV-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO O=CN1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC000852073081 588659458 /nfs/dbraw/zinc/65/94/58/588659458.db2.gz OTQNZQKRTGEOGV-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO CC(C)[N@H+](Cc1cnon1)[C@@H]1CCOC1 ZINC000852071214 588659500 /nfs/dbraw/zinc/65/95/00/588659500.db2.gz ZUHPYJXAHWYERK-SNVBAGLBSA-N 1 2 211.265 1.069 20 0 BDADLO CC(C)[N@@H+](Cc1cnon1)[C@@H]1CCOC1 ZINC000852071214 588659501 /nfs/dbraw/zinc/65/95/01/588659501.db2.gz ZUHPYJXAHWYERK-SNVBAGLBSA-N 1 2 211.265 1.069 20 0 BDADLO CON1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000852144884 588667007 /nfs/dbraw/zinc/66/70/07/588667007.db2.gz WOIOOFMGHHHKIX-UHFFFAOYSA-N 1 2 237.303 1.231 20 0 BDADLO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cnon2)C1 ZINC000852172925 588669064 /nfs/dbraw/zinc/66/90/64/588669064.db2.gz WCMNRGDIFKIYTN-CHWSQXEVSA-N 1 2 245.282 1.378 20 0 BDADLO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnon2)C1 ZINC000852172925 588669065 /nfs/dbraw/zinc/66/90/65/588669065.db2.gz WCMNRGDIFKIYTN-CHWSQXEVSA-N 1 2 245.282 1.378 20 0 BDADLO CS(C)(=O)=NC(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000852169764 588669381 /nfs/dbraw/zinc/66/93/81/588669381.db2.gz QXMPPRFBQPTDJW-JTQLQIEISA-N 1 2 244.360 1.115 20 0 BDADLO CS(C)(=O)=NC(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC000852169764 588669382 /nfs/dbraw/zinc/66/93/82/588669382.db2.gz QXMPPRFBQPTDJW-JTQLQIEISA-N 1 2 244.360 1.115 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)CC(F)(F)C(F)F ZINC000852286772 588675972 /nfs/dbraw/zinc/67/59/72/588675972.db2.gz LSVGPOXNYNCHHH-UHFFFAOYSA-N 1 2 225.189 1.742 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)c1cccc(F)c1 ZINC000852284424 588675671 /nfs/dbraw/zinc/67/56/71/588675671.db2.gz LHVNGPINBVZWIA-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)c1cccc(F)c1 ZINC000852284424 588675672 /nfs/dbraw/zinc/67/56/72/588675672.db2.gz LHVNGPINBVZWIA-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)CC(F)(F)C(F)F ZINC000852286772 588675973 /nfs/dbraw/zinc/67/59/73/588675973.db2.gz LSVGPOXNYNCHHH-UHFFFAOYSA-N 1 2 225.189 1.742 20 0 BDADLO Cc1cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)no1 ZINC000852294867 588676890 /nfs/dbraw/zinc/67/68/90/588676890.db2.gz MFYKPTGGBWUNDE-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO Cc1cc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)no1 ZINC000852294867 588676891 /nfs/dbraw/zinc/67/68/91/588676891.db2.gz MFYKPTGGBWUNDE-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852322170 588678447 /nfs/dbraw/zinc/67/84/47/588678447.db2.gz CQTNYUZTZAMHCE-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852322170 588678448 /nfs/dbraw/zinc/67/84/48/588678448.db2.gz CQTNYUZTZAMHCE-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1=CCCC1 ZINC000852344149 588679078 /nfs/dbraw/zinc/67/90/78/588679078.db2.gz MAWRNBUABZJTPG-UHFFFAOYSA-N 1 2 234.303 1.330 20 0 BDADLO CC[C@@H](C)CONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852353349 588679196 /nfs/dbraw/zinc/67/91/96/588679196.db2.gz ZTSZTUIMSSZTBG-SECBINFHSA-N 1 2 240.307 1.529 20 0 BDADLO CC[C@@H](C)CONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852353349 588679197 /nfs/dbraw/zinc/67/91/97/588679197.db2.gz ZTSZTUIMSSZTBG-SECBINFHSA-N 1 2 240.307 1.529 20 0 BDADLO O=C(NCC1=CCCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000852362180 588679797 /nfs/dbraw/zinc/67/97/97/588679797.db2.gz KFZKEZIVYYNISC-LLVKDONJSA-N 1 2 246.314 1.737 20 0 BDADLO COCC[N@H+](CCF)[C@@H](C)c1cnccn1 ZINC000852481124 588684343 /nfs/dbraw/zinc/68/43/43/588684343.db2.gz IKIGYMODAOXDCX-JTQLQIEISA-N 1 2 227.283 1.456 20 0 BDADLO COCC[N@@H+](CCF)[C@@H](C)c1cnccn1 ZINC000852481124 588684344 /nfs/dbraw/zinc/68/43/44/588684344.db2.gz IKIGYMODAOXDCX-JTQLQIEISA-N 1 2 227.283 1.456 20 0 BDADLO CCc1noc(C)c1C[N@H+](CCF)CCOC ZINC000852483335 588684467 /nfs/dbraw/zinc/68/44/67/588684467.db2.gz GEKBHUNZLNWBIM-UHFFFAOYSA-N 1 2 244.310 1.963 20 0 BDADLO CCc1noc(C)c1C[N@@H+](CCF)CCOC ZINC000852483335 588684468 /nfs/dbraw/zinc/68/44/68/588684468.db2.gz GEKBHUNZLNWBIM-UHFFFAOYSA-N 1 2 244.310 1.963 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC000852584133 588692059 /nfs/dbraw/zinc/69/20/59/588692059.db2.gz JBGLGUAANGKJPW-NKWVEPMBSA-N 1 2 241.228 1.780 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852585391 588692424 /nfs/dbraw/zinc/69/24/24/588692424.db2.gz FGMOFHMVHYQLQA-MNOVXSKESA-N 1 2 241.331 1.223 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CC1=CCSC1 ZINC000852747730 588699376 /nfs/dbraw/zinc/69/93/76/588699376.db2.gz VHTGOONSLQZUKH-UHFFFAOYSA-N 1 2 243.372 1.935 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CC1=CCSC1 ZINC000852747730 588699377 /nfs/dbraw/zinc/69/93/77/588699377.db2.gz VHTGOONSLQZUKH-UHFFFAOYSA-N 1 2 243.372 1.935 20 0 BDADLO CCc1ncc(C(=O)OCC[NH+]2CCC2)s1 ZINC000861386721 589162727 /nfs/dbraw/zinc/16/27/27/589162727.db2.gz LWEGTXVBJJKKSZ-UHFFFAOYSA-N 1 2 240.328 1.568 20 0 BDADLO Cc1ncc(C[N@H+](CC(N)=O)C(C)(C)C)o1 ZINC000862250026 589197738 /nfs/dbraw/zinc/19/77/38/589197738.db2.gz GXOBRCQVSGYECF-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1ncc(C[N@@H+](CC(N)=O)C(C)(C)C)o1 ZINC000862250026 589197739 /nfs/dbraw/zinc/19/77/39/589197739.db2.gz GXOBRCQVSGYECF-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1[nH]c(CN2CC[C@](O)(C(F)F)C2)[nH+]c1C ZINC000862383569 589206693 /nfs/dbraw/zinc/20/66/93/589206693.db2.gz CPJQVBAWTKZSCN-LLVKDONJSA-N 1 2 245.273 1.228 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@](O)(C(F)F)C2)[nH]c1C ZINC000862383569 589206695 /nfs/dbraw/zinc/20/66/95/589206695.db2.gz CPJQVBAWTKZSCN-LLVKDONJSA-N 1 2 245.273 1.228 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@](O)(C(F)F)C2)[nH]c1C ZINC000862383569 589206697 /nfs/dbraw/zinc/20/66/97/589206697.db2.gz CPJQVBAWTKZSCN-LLVKDONJSA-N 1 2 245.273 1.228 20 0 BDADLO Cc1c(C[NH+]2CC(C)(CO)C2)ccnc1F ZINC000862389004 589207244 /nfs/dbraw/zinc/20/72/44/589207244.db2.gz CNHUHHJMAVCEOC-UHFFFAOYSA-N 1 2 224.279 1.343 20 0 BDADLO COC(=O)[C@@H](CC1CC1)NCc1[nH]cc(C)[nH+]1 ZINC000862393779 589208438 /nfs/dbraw/zinc/20/84/38/589208438.db2.gz YSYFVCNEWXTPPC-SNVBAGLBSA-N 1 2 237.303 1.149 20 0 BDADLO O=C1OC[C@@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]12 ZINC000862545359 589218997 /nfs/dbraw/zinc/21/89/97/589218997.db2.gz QCRFSKJOOCSQNK-ONGXEEELSA-N 1 2 248.282 1.157 20 0 BDADLO O=C1OC[C@@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]12 ZINC000862545359 589218999 /nfs/dbraw/zinc/21/89/99/589218999.db2.gz QCRFSKJOOCSQNK-ONGXEEELSA-N 1 2 248.282 1.157 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1ncccc1Cl ZINC000863459395 589289793 /nfs/dbraw/zinc/28/97/93/589289793.db2.gz PEJAUXDJLITRFB-ZETCQYMHSA-N 1 2 243.694 1.768 20 0 BDADLO NC(=[NH+]OCc1ccnc(F)c1)[C@@H]1CCCO1 ZINC000863473024 589291351 /nfs/dbraw/zinc/29/13/51/589291351.db2.gz XHGIJKVXMPUFKG-VIFPVBQESA-N 1 2 239.250 1.398 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)C1(OC)CCCC1 ZINC000863478270 589291970 /nfs/dbraw/zinc/29/19/70/589291970.db2.gz MOGCZTNPLGWXFJ-SNVBAGLBSA-N 1 2 244.335 1.869 20 0 BDADLO COC1(C(N)=[NH+]OCCC2(O)CC2)CCCC1 ZINC000863478065 589292030 /nfs/dbraw/zinc/29/20/30/589292030.db2.gz ISHDBYDZTRGZJG-UHFFFAOYSA-N 1 2 242.319 1.359 20 0 BDADLO COC1(C(N)=[NH+]OCC2CC2)CCCC1 ZINC000863478724 589292090 /nfs/dbraw/zinc/29/20/90/589292090.db2.gz VPUXMBJGGPYYBK-UHFFFAOYSA-N 1 2 212.293 1.854 20 0 BDADLO COC1CC(O[NH+]=C(N)C2(OC)CCCC2)C1 ZINC000863476877 589292238 /nfs/dbraw/zinc/29/22/38/589292238.db2.gz AZNFADFYJQCSJT-UHFFFAOYSA-N 1 2 242.319 1.621 20 0 BDADLO CC[NH2+]Cc1noc([C@H](NC(C)=O)C(C)C)n1 ZINC000863657453 589308603 /nfs/dbraw/zinc/30/86/03/589308603.db2.gz YEUCDLXDLRIWSB-SNVBAGLBSA-N 1 2 240.307 1.012 20 0 BDADLO C[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC000863922595 589327171 /nfs/dbraw/zinc/32/71/71/589327171.db2.gz WVFWLCOXIIQXAV-LURJTMIESA-N 1 2 242.216 1.145 20 0 BDADLO C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC000863922595 589327173 /nfs/dbraw/zinc/32/71/73/589327173.db2.gz WVFWLCOXIIQXAV-LURJTMIESA-N 1 2 242.216 1.145 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC3CC2(C)C3)c[nH+]1 ZINC000864072919 589339364 /nfs/dbraw/zinc/33/93/64/589339364.db2.gz ROGYAPRLANIETH-UHFFFAOYSA-N 1 2 247.342 1.938 20 0 BDADLO CC(C)[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000864074661 589340068 /nfs/dbraw/zinc/34/00/68/589340068.db2.gz ZSQJZEKPAZXGEM-GFCCVEGCSA-N 1 2 221.304 1.503 20 0 BDADLO CC(C)[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000864074661 589340070 /nfs/dbraw/zinc/34/00/70/589340070.db2.gz ZSQJZEKPAZXGEM-GFCCVEGCSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2C[C@@H](O)C23CCC3)[nH+]c1 ZINC000864093168 589344194 /nfs/dbraw/zinc/34/41/94/589344194.db2.gz JAZZUHFQHAYINE-ZMLRMANQSA-N 1 2 248.326 1.850 20 0 BDADLO CC/C=C(/F)C(=O)N1CC[NH+](C)CC1 ZINC000864382375 589357065 /nfs/dbraw/zinc/35/70/65/589357065.db2.gz QAXVGGHAPBBIPX-RUDMXATFSA-N 1 2 200.257 1.024 20 0 BDADLO CC[C@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864392037 589357608 /nfs/dbraw/zinc/35/76/08/589357608.db2.gz HJJXQEPOBIGWNT-GXSJLCMTSA-N 1 2 237.303 1.234 20 0 BDADLO CC/C=C(/F)C(=O)NCCCn1cc[nH+]c1 ZINC000864413804 589360265 /nfs/dbraw/zinc/36/02/65/589360265.db2.gz VCQPBYHUNLDBEF-ONNFQVAWSA-N 1 2 225.267 1.653 20 0 BDADLO Cn1cc[nH+]c1CS(=O)(=O)CCCC1CC1 ZINC000864495338 589374760 /nfs/dbraw/zinc/37/47/60/589374760.db2.gz GXLLQUAQXJXBSY-UHFFFAOYSA-N 1 2 242.344 1.525 20 0 BDADLO C[C@H](c1ccco1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864810068 589395024 /nfs/dbraw/zinc/39/50/24/589395024.db2.gz ZMUSXMLQHDYHMW-LDYMZIIASA-N 1 2 249.270 1.256 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000864878787 589399584 /nfs/dbraw/zinc/39/95/84/589399584.db2.gz AZPICCJWJKPNQS-ZQJWYQMXSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000864878786 589399792 /nfs/dbraw/zinc/39/97/92/589399792.db2.gz AZPICCJWJKPNQS-KRPLZJQNSA-N 1 2 244.310 1.087 20 0 BDADLO CCC[N@H+](CC[C@H]1CCOC1=O)CC(F)F ZINC000120328165 589404534 /nfs/dbraw/zinc/40/45/34/589404534.db2.gz BINNTLGXZYFZFR-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO CCC[N@@H+](CC[C@H]1CCOC1=O)CC(F)F ZINC000120328165 589404535 /nfs/dbraw/zinc/40/45/35/589404535.db2.gz BINNTLGXZYFZFR-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C1CC1)C1CC1 ZINC000865062926 589407048 /nfs/dbraw/zinc/40/70/48/589407048.db2.gz MJYIHEFRCFDABV-GFCCVEGCSA-N 1 2 249.314 1.090 20 0 BDADLO CCN(Cc1ccoc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865111152 589409430 /nfs/dbraw/zinc/40/94/30/589409430.db2.gz KVKXMJWINMZVIT-LLVKDONJSA-N 1 2 249.270 1.085 20 0 BDADLO COC/C=C\C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865139994 589410878 /nfs/dbraw/zinc/41/08/78/589410878.db2.gz AVFKKPOYVCZJFT-USEMIUTHSA-N 1 2 249.314 1.318 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(C1CC1)C1CCCC1 ZINC000865162271 589412063 /nfs/dbraw/zinc/41/20/63/589412063.db2.gz ICPGPHRUYXXYTD-GFCCVEGCSA-N 1 2 249.314 1.377 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000865157656 589412159 /nfs/dbraw/zinc/41/21/59/589412159.db2.gz AGJQAPSONYNPHA-GWCFXTLKSA-N 1 2 233.315 1.617 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=S)NC1(C)CCC1 ZINC000865262945 589417026 /nfs/dbraw/zinc/41/70/26/589417026.db2.gz YOJAYWSFRFQSND-UHFFFAOYSA-N 1 2 238.360 1.659 20 0 BDADLO COCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865398269 589431738 /nfs/dbraw/zinc/43/17/38/589431738.db2.gz XVYYJKBKPNMYGO-UHFFFAOYSA-N 1 2 209.293 1.733 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc(CC)no2)nn1 ZINC000865473136 589439084 /nfs/dbraw/zinc/43/90/84/589439084.db2.gz KRJRXSWOZPQHMY-UHFFFAOYSA-N 1 2 249.318 1.528 20 0 BDADLO CC(=O)c1cccc(NCc2[nH+]ccn2C)n1 ZINC000865507744 589442597 /nfs/dbraw/zinc/44/25/97/589442597.db2.gz AIGNDDVKOBNNMF-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO C[C@H](O)c1ccc(N(C)Cc2cc[nH]n2)[nH+]c1 ZINC000865535848 589444384 /nfs/dbraw/zinc/44/43/84/589444384.db2.gz UWTNROCVNBQBOF-VIFPVBQESA-N 1 2 232.287 1.494 20 0 BDADLO CC(C)Cc1cc(NCC[C@@H](C)O)nc[nH+]1 ZINC000865538468 589444729 /nfs/dbraw/zinc/44/47/29/589444729.db2.gz ITJYPJJVOYFGOY-SNVBAGLBSA-N 1 2 223.320 1.858 20 0 BDADLO CC(C)Cc1cc(N[C@@H](C)CC(N)=O)nc[nH+]1 ZINC000865553268 589445740 /nfs/dbraw/zinc/44/57/40/589445740.db2.gz UFKGNDJMWJZVCQ-VIFPVBQESA-N 1 2 236.319 1.351 20 0 BDADLO Cc1c[nH+]ccc1CCNc1ccc(F)nn1 ZINC000865640761 589453747 /nfs/dbraw/zinc/45/37/47/589453747.db2.gz LJBKKWPINGLSJS-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO CC(C)([NH2+]Cc1ccn[nH]1)[C@@H]1CCCCO1 ZINC000865747749 589460842 /nfs/dbraw/zinc/46/08/42/589460842.db2.gz WNTIHKAAECXFFA-NSHDSACASA-N 1 2 223.320 1.847 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)nn1 ZINC000865813947 589462864 /nfs/dbraw/zinc/46/28/64/589462864.db2.gz BFPIFQXJNPWGGQ-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@H]2CCC[C@@H]2O)[nH+]c1 ZINC000865868577 589466231 /nfs/dbraw/zinc/46/62/31/589466231.db2.gz LPJGMIUXMUPFTB-JLLWLGSASA-N 1 2 236.315 1.708 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874679 589466805 /nfs/dbraw/zinc/46/68/05/589466805.db2.gz GRFCKDPJAWDKMZ-ZDUSSCGKSA-N 1 2 237.347 1.749 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@@](C)(O)C2)nc[nH+]1 ZINC000865881530 589467139 /nfs/dbraw/zinc/46/71/39/589467139.db2.gz ACCABPVDYBJDHS-WVSHTKLVSA-N 1 2 236.319 1.624 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@@](C)(O)C2)[nH+]cn1 ZINC000865881530 589467140 /nfs/dbraw/zinc/46/71/40/589467140.db2.gz ACCABPVDYBJDHS-WVSHTKLVSA-N 1 2 236.319 1.624 20 0 BDADLO CCCCc1cc(N[C@@H]2CC[C@H]2O)nc[nH+]1 ZINC000865891896 589467465 /nfs/dbraw/zinc/46/74/65/589467465.db2.gz YSECCTGWHLXGRO-GHMZBOCLSA-N 1 2 221.304 1.754 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(CC1CC1)CC1CC1 ZINC000865901122 589467811 /nfs/dbraw/zinc/46/78/11/589467811.db2.gz MEQZYZSKQOXCEM-GFCCVEGCSA-N 1 2 249.314 1.092 20 0 BDADLO COC/C=C/C(=O)NCCCNc1cccc[nH+]1 ZINC000865952747 589469891 /nfs/dbraw/zinc/46/98/91/589469891.db2.gz PMYOKXZAEUDUIP-QPJJXVBHSA-N 1 2 249.314 1.202 20 0 BDADLO CC(C)Cc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc[nH+]1 ZINC000865969256 589470962 /nfs/dbraw/zinc/47/09/62/589470962.db2.gz TXEZKISNTLQFIU-HOMQSWHASA-N 1 2 248.330 1.351 20 0 BDADLO Cc1cc(N[C@H](C)c2nnnn2C2CC2)nc[nH+]1 ZINC000866153556 589478133 /nfs/dbraw/zinc/47/81/33/589478133.db2.gz CQXQNBGBSOSKDP-MRVPVSSYSA-N 1 2 245.290 1.280 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866338120 589486944 /nfs/dbraw/zinc/48/69/44/589486944.db2.gz XOFYEYBIFMSDLB-MWLCHTKSSA-N 1 2 239.319 1.338 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867499426 589523062 /nfs/dbraw/zinc/52/30/62/589523062.db2.gz LCFKXNVEOADWRK-FBIMIBRVSA-N 1 2 237.303 1.090 20 0 BDADLO CCONC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867976180 589542053 /nfs/dbraw/zinc/54/20/53/589542053.db2.gz WSSNKQHRKKLBNS-LBPRGKRZSA-N 1 2 249.314 1.424 20 0 BDADLO CCONC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867976180 589542055 /nfs/dbraw/zinc/54/20/55/589542055.db2.gz WSSNKQHRKKLBNS-LBPRGKRZSA-N 1 2 249.314 1.424 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000868426847 589558016 /nfs/dbraw/zinc/55/80/16/589558016.db2.gz LCMWKNFOIYGPFL-YTWAJWBKSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000868426847 589558017 /nfs/dbraw/zinc/55/80/17/589558017.db2.gz LCMWKNFOIYGPFL-YTWAJWBKSA-N 1 2 245.326 1.587 20 0 BDADLO CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H](C)C(C)C ZINC000868432156 589558164 /nfs/dbraw/zinc/55/81/64/589558164.db2.gz ZREYEPGNIJOFFQ-MWLCHTKSSA-N 1 2 239.319 1.336 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000868507430 589561423 /nfs/dbraw/zinc/56/14/23/589561423.db2.gz VNLBQDBRUFZTGZ-SAVGLBRCSA-N 1 2 233.315 1.879 20 0 BDADLO CC[C@H](CO)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000868678772 589572592 /nfs/dbraw/zinc/57/25/92/589572592.db2.gz MWSMJCCGIJJJGA-VHSXEESVSA-N 1 2 239.319 1.099 20 0 BDADLO CCCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)C ZINC000869186869 589592106 /nfs/dbraw/zinc/59/21/06/589592106.db2.gz JUHCJFWERRLDJH-JTQLQIEISA-N 1 2 225.292 1.090 20 0 BDADLO CC[C@H](C)N(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869222824 589592544 /nfs/dbraw/zinc/59/25/44/589592544.db2.gz KKNFNNZPEFCAOE-WCBMZHEXSA-N 1 2 225.292 1.090 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCC2(CC2)CC1 ZINC000869490836 589609029 /nfs/dbraw/zinc/60/90/29/589609029.db2.gz GJPSLOOOCDDRHX-LLVKDONJSA-N 1 2 249.314 1.236 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCCn2cc[nH+]c2)[C@@H](C)O1 ZINC000869656003 589620227 /nfs/dbraw/zinc/62/02/27/589620227.db2.gz RTLGKPAHSKWOPA-MXWKQRLJSA-N 1 2 238.287 1.240 20 0 BDADLO CCn1ncc(C(=O)OCCn2cc[nH+]c2)c1C ZINC000869846733 589632505 /nfs/dbraw/zinc/63/25/05/589632505.db2.gz MCPUSENHQKRJSB-UHFFFAOYSA-N 1 2 248.286 1.265 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000869889180 589635968 /nfs/dbraw/zinc/63/59/68/589635968.db2.gz WMMCBEOSXYBGAR-MGAJPHDKSA-N 1 2 248.326 1.798 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCCS2)c[nH+]1 ZINC000871030728 589716047 /nfs/dbraw/zinc/71/60/47/589716047.db2.gz NVDJHYMGZLEBKD-VIFPVBQESA-N 1 2 239.344 1.734 20 0 BDADLO COC(C)(C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000871253917 589749189 /nfs/dbraw/zinc/74/91/89/589749189.db2.gz GQMLLTMDSQSKLE-UHFFFAOYSA-N 1 2 225.292 1.263 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC12CCC2 ZINC000871628896 589778306 /nfs/dbraw/zinc/77/83/06/589778306.db2.gz ICPAZOAZNOWXDI-LLVKDONJSA-N 1 2 248.330 1.515 20 0 BDADLO O=C(OCn1c[nH+]c2c1CCCC2)N1CCCC1 ZINC000871674142 589788304 /nfs/dbraw/zinc/78/83/04/589788304.db2.gz SEUINUBOGTYJRV-UHFFFAOYSA-N 1 2 249.314 1.952 20 0 BDADLO CC(C)(O)CCO[NH+]=C(N)COC1CCC1 ZINC000871774408 589812860 /nfs/dbraw/zinc/81/28/60/589812860.db2.gz CUBIVUXOTCKHSR-UHFFFAOYSA-N 1 2 230.308 1.215 20 0 BDADLO COC(=O)CCCO[NH+]=C(N)COC1CCC1 ZINC000871778543 589813683 /nfs/dbraw/zinc/81/36/83/589813683.db2.gz NBUFQLCMIQIHIC-UHFFFAOYSA-N 1 2 244.291 1.007 20 0 BDADLO Cc1ccccc1Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000871945249 589838751 /nfs/dbraw/zinc/83/87/51/589838751.db2.gz YEAWWBNLPZRWHB-LBPRGKRZSA-N 1 2 243.310 1.303 20 0 BDADLO CC(C)(C)c1cn(C[C@]2(O)CCCOC2)c[nH+]1 ZINC000871989790 589854627 /nfs/dbraw/zinc/85/46/27/589854627.db2.gz SNYWDPWZRAHGAW-CYBMUJFWSA-N 1 2 238.331 1.722 20 0 BDADLO CC[NH2+]Cc1noc(CCCCCOCC)n1 ZINC000872171761 589888083 /nfs/dbraw/zinc/88/80/83/589888083.db2.gz UMCYFUDCYBXIFV-UHFFFAOYSA-N 1 2 241.335 1.928 20 0 BDADLO CC[NH2+]Cc1noc(C2(F)CCOCC2)n1 ZINC000872171272 589888128 /nfs/dbraw/zinc/88/81/28/589888128.db2.gz OUPCAWDTFFUPKQ-UHFFFAOYSA-N 1 2 229.255 1.154 20 0 BDADLO CN1CC[N@H+](Cc2cc[nH]n2)Cc2cccnc21 ZINC000872264786 589901930 /nfs/dbraw/zinc/90/19/30/589901930.db2.gz BSAICALALNRQBZ-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO CN1CC[N@@H+](Cc2cc[nH]n2)Cc2cccnc21 ZINC000872264786 589901932 /nfs/dbraw/zinc/90/19/32/589901932.db2.gz BSAICALALNRQBZ-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO O=C1OCC[C@H]1CCCNc1cccc[nH+]1 ZINC000872704674 589963608 /nfs/dbraw/zinc/96/36/08/589963608.db2.gz ACELRWPUXROXNQ-SNVBAGLBSA-N 1 2 220.272 1.837 20 0 BDADLO Cn1ncc2c1nc(N[C@@H]1CC13CCC3)[nH+]c2N ZINC000872775760 589968282 /nfs/dbraw/zinc/96/82/82/589968282.db2.gz ZTKXRRVYKYQTGO-MRVPVSSYSA-N 1 2 244.302 1.300 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)[C@@H](C)[C@@H](C)O1 ZINC000873207361 589993807 /nfs/dbraw/zinc/99/38/07/589993807.db2.gz AIYQARWZHMTALK-KXUCPTDWSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)[C@@H](C)[C@@H](C)O1 ZINC000873207361 589993808 /nfs/dbraw/zinc/99/38/08/589993808.db2.gz AIYQARWZHMTALK-KXUCPTDWSA-N 1 2 236.319 1.057 20 0 BDADLO CCc1nc(C[NH2+]Cc2cnc(N)cn2)cs1 ZINC000873211355 589996279 /nfs/dbraw/zinc/99/62/79/589996279.db2.gz LUYUKPBDDFRTAQ-UHFFFAOYSA-N 1 2 249.343 1.368 20 0 BDADLO CON(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000873907884 590078168 /nfs/dbraw/zinc/07/81/68/590078168.db2.gz FJTSROFTVUJMBJ-UHFFFAOYSA-N 1 2 219.244 1.276 20 0 BDADLO CCn1ccc(C(=O)NCCn2cc[nH+]c2)c1C ZINC000874011031 590084937 /nfs/dbraw/zinc/08/49/37/590084937.db2.gz QZOSYVKNMPBTOO-UHFFFAOYSA-N 1 2 246.314 1.443 20 0 BDADLO COc1ccncc1NC(=O)C[NH+]1CCCC1 ZINC000874258852 590100332 /nfs/dbraw/zinc/10/03/32/590100332.db2.gz VBRTZSJVIHYKCZ-UHFFFAOYSA-N 1 2 235.287 1.125 20 0 BDADLO C[C@H](O)c1ccc(N(C)CC2CC2)[nH+]c1 ZINC000124923045 590102292 /nfs/dbraw/zinc/10/22/92/590102292.db2.gz JGGOZQRZBOPBAO-VIFPVBQESA-N 1 2 206.289 1.981 20 0 BDADLO CCN(CCOC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124928649 590103108 /nfs/dbraw/zinc/10/31/08/590103108.db2.gz IVNGBCZGMXHFHK-SNVBAGLBSA-N 1 2 224.304 1.608 20 0 BDADLO CCC[C@@H](CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000874453912 590111668 /nfs/dbraw/zinc/11/16/68/590111668.db2.gz XRCXRHPRIRXUHE-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CCC[C@H](CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000874453910 590112192 /nfs/dbraw/zinc/11/21/92/590112192.db2.gz XRCXRHPRIRXUHE-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874703969 590124194 /nfs/dbraw/zinc/12/41/94/590124194.db2.gz DYRSDNAHGQMZEE-KBVBDRTLSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874703969 590124196 /nfs/dbraw/zinc/12/41/96/590124196.db2.gz DYRSDNAHGQMZEE-KBVBDRTLSA-N 1 2 240.347 1.180 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000874778274 590129996 /nfs/dbraw/zinc/12/99/96/590129996.db2.gz STNYUVPXGLEYRS-JOYOIKCWSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000874778274 590129997 /nfs/dbraw/zinc/12/99/97/590129997.db2.gz STNYUVPXGLEYRS-JOYOIKCWSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000874778271 590130177 /nfs/dbraw/zinc/13/01/77/590130177.db2.gz STNYUVPXGLEYRS-BXKDBHETSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000874778271 590130178 /nfs/dbraw/zinc/13/01/78/590130178.db2.gz STNYUVPXGLEYRS-BXKDBHETSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000874779054 590130644 /nfs/dbraw/zinc/13/06/44/590130644.db2.gz WFFJSDLUCYXWHH-JQWIXIFHSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000874783826 590134472 /nfs/dbraw/zinc/13/44/72/590134472.db2.gz CVRHDWUCJZVXHH-ZYHUDNBSSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(C1CC1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874895768 590153645 /nfs/dbraw/zinc/15/36/45/590153645.db2.gz YTQQLEIIXZKNLH-ZDUSSCGKSA-N 1 2 248.301 1.709 20 0 BDADLO CCON(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000875628907 590167156 /nfs/dbraw/zinc/16/71/56/590167156.db2.gz TYIFEHGUWIIVSG-VIFPVBQESA-N 1 2 238.291 1.311 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)CCO1 ZINC000876555902 590214971 /nfs/dbraw/zinc/21/49/71/590214971.db2.gz HKAMTEHVWGDCHY-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)CCO1 ZINC000876555902 590214973 /nfs/dbraw/zinc/21/49/73/590214973.db2.gz HKAMTEHVWGDCHY-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc2c(cnn2C)c1 ZINC000876610346 590221910 /nfs/dbraw/zinc/22/19/10/590221910.db2.gz BHIYJJGQTUNYNN-JTQLQIEISA-N 1 2 246.314 1.189 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc2c(cnn2C)c1 ZINC000876610346 590221911 /nfs/dbraw/zinc/22/19/11/590221911.db2.gz BHIYJJGQTUNYNN-JTQLQIEISA-N 1 2 246.314 1.189 20 0 BDADLO CCCn1cc(C[N@@H+]2CCS[C@H](C)C2)nn1 ZINC000876686898 590229834 /nfs/dbraw/zinc/22/98/34/590229834.db2.gz BSJDPYBOQLXZNF-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1cc(C[N@H+]2CCS[C@H](C)C2)nn1 ZINC000876686898 590229836 /nfs/dbraw/zinc/22/98/36/590229836.db2.gz BSJDPYBOQLXZNF-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1cc(C[N@H+](C)CCn2cccn2)nn1 ZINC000876730883 590233941 /nfs/dbraw/zinc/23/39/41/590233941.db2.gz NEECJCYYHDYIGS-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO CCCn1cc(C[N@@H+](C)CCn2cccn2)nn1 ZINC000876730883 590233942 /nfs/dbraw/zinc/23/39/42/590233942.db2.gz NEECJCYYHDYIGS-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO Cc1[nH]c(C(=O)NC2CC3(C2)CO[C@@H](C)C3)c[nH+]1 ZINC000888732339 590238576 /nfs/dbraw/zinc/23/85/76/590238576.db2.gz ONVBTVUGBHWHBP-LUHBLDKBSA-N 1 2 249.314 1.406 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000876815015 590246162 /nfs/dbraw/zinc/24/61/62/590246162.db2.gz MFFPYIRCQHXSEY-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000876815015 590246163 /nfs/dbraw/zinc/24/61/63/590246163.db2.gz MFFPYIRCQHXSEY-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO CO[C@H](C[NH2+]Cc1ncc(C)o1)C(F)(F)F ZINC000877026296 590271015 /nfs/dbraw/zinc/27/10/15/590271015.db2.gz BWYAUIPPGYVJFD-SSDOTTSWSA-N 1 2 238.209 1.650 20 0 BDADLO CCOCC[N@H+](C)Cc1cc(OC)cnc1F ZINC000877172948 590294202 /nfs/dbraw/zinc/29/42/02/590294202.db2.gz ZHZSTEQXMIVLQB-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc(OC)cnc1F ZINC000877172948 590294203 /nfs/dbraw/zinc/29/42/03/590294203.db2.gz ZHZSTEQXMIVLQB-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877185083 590298714 /nfs/dbraw/zinc/29/87/14/590298714.db2.gz PHULUHCAINOXQU-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877185083 590298716 /nfs/dbraw/zinc/29/87/16/590298716.db2.gz PHULUHCAINOXQU-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000877471097 590334592 /nfs/dbraw/zinc/33/45/92/590334592.db2.gz OLXWILMNJMLELD-ZJUUUORDSA-N 1 2 211.305 1.860 20 0 BDADLO O=c1ccc(C[N@@H+]2CCO[C@H](C(F)F)C2)c[nH]1 ZINC000877502751 590342203 /nfs/dbraw/zinc/34/22/03/590342203.db2.gz RIOUMIJKJVOHDD-VIFPVBQESA-N 1 2 244.241 1.253 20 0 BDADLO O=c1ccc(C[N@H+]2CCO[C@H](C(F)F)C2)c[nH]1 ZINC000877502751 590342206 /nfs/dbraw/zinc/34/22/06/590342206.db2.gz RIOUMIJKJVOHDD-VIFPVBQESA-N 1 2 244.241 1.253 20 0 BDADLO CCCn1cc(C[N@H+](C)C[C@@H](C)OC)nn1 ZINC000877522165 590346792 /nfs/dbraw/zinc/34/67/92/590346792.db2.gz BPENKCVJMATSJJ-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO CCCn1cc(C[N@@H+](C)C[C@@H](C)OC)nn1 ZINC000877522165 590346795 /nfs/dbraw/zinc/34/67/95/590346795.db2.gz BPENKCVJMATSJJ-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO CSC(C)(C)CC[N@H+](C)Cc1nncn1C ZINC000877529436 590348538 /nfs/dbraw/zinc/34/85/38/590348538.db2.gz DDCAILRDCHIKFK-UHFFFAOYSA-N 1 2 242.392 1.779 20 0 BDADLO CSC(C)(C)CC[N@@H+](C)Cc1nncn1C ZINC000877529436 590348540 /nfs/dbraw/zinc/34/85/40/590348540.db2.gz DDCAILRDCHIKFK-UHFFFAOYSA-N 1 2 242.392 1.779 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+]Cc1cc(C3CC3)no1)CC2 ZINC000877556975 590357515 /nfs/dbraw/zinc/35/75/15/590357515.db2.gz LTFAYIYTBLPAHV-LLVKDONJSA-N 1 2 244.298 1.983 20 0 BDADLO c1cn2c([nH+]1)[C@H](NCc1cc(C3CC3)no1)CC2 ZINC000877556975 590357517 /nfs/dbraw/zinc/35/75/17/590357517.db2.gz LTFAYIYTBLPAHV-LLVKDONJSA-N 1 2 244.298 1.983 20 0 BDADLO Cc1cc(C[NH+]2CC(c3nc(C)no3)C2)on1 ZINC000877580679 590366184 /nfs/dbraw/zinc/36/61/84/590366184.db2.gz WGAYZANGIFWANB-UHFFFAOYSA-N 1 2 234.259 1.274 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000877613888 590373579 /nfs/dbraw/zinc/37/35/79/590373579.db2.gz RYXFVXLVIQJSEQ-ZJUUUORDSA-N 1 2 228.336 1.468 20 0 BDADLO Cn1ncc(C[NH+]2CCC(CCF)CC2)n1 ZINC000877674601 590390371 /nfs/dbraw/zinc/39/03/71/590390371.db2.gz SQQSQLHGWIMSDX-UHFFFAOYSA-N 1 2 226.299 1.387 20 0 BDADLO Cn1cc(C[NH+]2CC(C)(C)C2)c(Cl)n1 ZINC000877717577 590399175 /nfs/dbraw/zinc/39/91/75/590399175.db2.gz LWLSSDOWQMNWBX-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737230 590405366 /nfs/dbraw/zinc/40/53/66/590405366.db2.gz HKVODKGZXJJJHD-DTWKUNHWSA-N 1 2 241.385 1.723 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737230 590405367 /nfs/dbraw/zinc/40/53/67/590405367.db2.gz HKVODKGZXJJJHD-DTWKUNHWSA-N 1 2 241.385 1.723 20 0 BDADLO Cc1n[nH]cc1C[NH+]1CC(OC(C)(C)C)C1 ZINC000877772300 590422511 /nfs/dbraw/zinc/42/25/11/590422511.db2.gz XSJFWMXWMOGHNJ-UHFFFAOYSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH+]c[nH]c1[C@H]1Nc2ccc(C)cc2C(=O)N1 ZINC000877860845 590433433 /nfs/dbraw/zinc/43/34/33/590433433.db2.gz BNKGEXPVNDLEEK-LBPRGKRZSA-N 1 2 242.282 1.881 20 0 BDADLO Cc1[nH+]c[nH]c1[C@H]1Nc2cc(C)ccc2C(=O)N1 ZINC000877863039 590434261 /nfs/dbraw/zinc/43/42/61/590434261.db2.gz AKGVVHXTQATRPZ-LBPRGKRZSA-N 1 2 242.282 1.881 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000877921292 590447149 /nfs/dbraw/zinc/44/71/49/590447149.db2.gz GLCQNXXOMKTAEE-ZDUSSCGKSA-N 1 2 248.330 1.923 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000877921292 590447150 /nfs/dbraw/zinc/44/71/50/590447150.db2.gz GLCQNXXOMKTAEE-ZDUSSCGKSA-N 1 2 248.330 1.923 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nocc1C ZINC000877964278 590460289 /nfs/dbraw/zinc/46/02/89/590460289.db2.gz PDRTZADKTJDGTN-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nocc1C ZINC000877964278 590460290 /nfs/dbraw/zinc/46/02/90/590460290.db2.gz PDRTZADKTJDGTN-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO FC(F)Cn1cc[nH+]c1CN1CCSCC1 ZINC000877968016 590461114 /nfs/dbraw/zinc/46/11/14/590461114.db2.gz SXRNKKSKPJQIFX-UHFFFAOYSA-N 1 2 247.314 1.697 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878040486 590478398 /nfs/dbraw/zinc/47/83/98/590478398.db2.gz LWJKTJOPSVPPJF-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878040486 590478400 /nfs/dbraw/zinc/47/84/00/590478400.db2.gz LWJKTJOPSVPPJF-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000878040754 590478694 /nfs/dbraw/zinc/47/86/94/590478694.db2.gz NJVWEPDCCQSEHV-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000878040754 590478695 /nfs/dbraw/zinc/47/86/95/590478695.db2.gz NJVWEPDCCQSEHV-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO CN(Cc1[nH+]ccn1CC(F)F)CC(F)F ZINC000878051556 590482960 /nfs/dbraw/zinc/48/29/60/590482960.db2.gz JYRKGJGFOASNLQ-UHFFFAOYSA-N 1 2 239.216 1.845 20 0 BDADLO CC1(C)CCC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000878093863 590491475 /nfs/dbraw/zinc/49/14/75/590491475.db2.gz OONOOTXKAWEYHN-NSHDSACASA-N 1 2 245.388 1.398 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nocc2C)C[C@H](C)O1 ZINC000878095238 590492108 /nfs/dbraw/zinc/49/21/08/590492108.db2.gz VJACMBSZVDZMEQ-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nocc2C)C[C@H](C)O1 ZINC000878095238 590492110 /nfs/dbraw/zinc/49/21/10/590492110.db2.gz VJACMBSZVDZMEQ-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCOC[C@H](C)C1 ZINC000878298929 590538023 /nfs/dbraw/zinc/53/80/23/590538023.db2.gz NWRYXGZTCQIILK-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO CCC(F)(F)C[N@H+]1CCOC[C@H](C)C1 ZINC000878298929 590538024 /nfs/dbraw/zinc/53/80/24/590538024.db2.gz NWRYXGZTCQIILK-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO O[C@H](C[N@@H+]1CCC=C(F)C1)CC1(O)CCCC1 ZINC000878338694 590550270 /nfs/dbraw/zinc/55/02/70/590550270.db2.gz AIEHCDSSMNPSEX-LBPRGKRZSA-N 1 2 243.322 1.602 20 0 BDADLO O[C@H](C[N@H+]1CCC=C(F)C1)CC1(O)CCCC1 ZINC000878338694 590550271 /nfs/dbraw/zinc/55/02/71/590550271.db2.gz AIEHCDSSMNPSEX-LBPRGKRZSA-N 1 2 243.322 1.602 20 0 BDADLO Cc1conc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000878442217 590568455 /nfs/dbraw/zinc/56/84/55/590568455.db2.gz KTJDSTUGRCRLEZ-NSHDSACASA-N 1 2 238.312 1.868 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000878547164 590589686 /nfs/dbraw/zinc/58/96/86/590589686.db2.gz YGGMIDAPYMAWSD-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000878547164 590589687 /nfs/dbraw/zinc/58/96/87/590589687.db2.gz YGGMIDAPYMAWSD-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000878546114 590590140 /nfs/dbraw/zinc/59/01/40/590590140.db2.gz FVXHPMGOGANIIF-VHSXEESVSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000878546114 590590141 /nfs/dbraw/zinc/59/01/41/590590141.db2.gz FVXHPMGOGANIIF-VHSXEESVSA-N 1 2 229.320 1.295 20 0 BDADLO C[C@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677056 590608083 /nfs/dbraw/zinc/60/80/83/590608083.db2.gz BATXQVPGPFPZRL-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677056 590608084 /nfs/dbraw/zinc/60/80/84/590608084.db2.gz BATXQVPGPFPZRL-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C=C/C=C\CC[NH2+][C@](CC)(COC)C(=O)OC ZINC000878698057 590611201 /nfs/dbraw/zinc/61/12/01/590611201.db2.gz OHEUBVRRDRQFRA-MEJMFZKBSA-N 1 2 241.331 1.677 20 0 BDADLO CC(C)NC(=O)NCC[N@@H+]1CCC=C(Cl)C1 ZINC000878790442 590622631 /nfs/dbraw/zinc/62/26/31/590622631.db2.gz LXAGAGOYTSAIRK-UHFFFAOYSA-N 1 2 245.754 1.522 20 0 BDADLO CC(C)NC(=O)NCC[N@H+]1CCC=C(Cl)C1 ZINC000878790442 590622632 /nfs/dbraw/zinc/62/26/32/590622632.db2.gz LXAGAGOYTSAIRK-UHFFFAOYSA-N 1 2 245.754 1.522 20 0 BDADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000878802523 590624989 /nfs/dbraw/zinc/62/49/89/590624989.db2.gz JASWHOFLDZFBIJ-SECBINFHSA-N 1 2 237.290 1.239 20 0 BDADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000878802523 590624990 /nfs/dbraw/zinc/62/49/90/590624990.db2.gz JASWHOFLDZFBIJ-SECBINFHSA-N 1 2 237.290 1.239 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2CCOC2=O)c(C)[nH+]1 ZINC000878908857 590644911 /nfs/dbraw/zinc/64/49/11/590644911.db2.gz XHBHDWHEQZGRLV-JTQLQIEISA-N 1 2 249.270 1.135 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000878968844 590663265 /nfs/dbraw/zinc/66/32/65/590663265.db2.gz CIZHDGGPQRCHBT-VXGBXAGGSA-N 1 2 241.331 1.393 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000878968844 590663270 /nfs/dbraw/zinc/66/32/70/590663270.db2.gz CIZHDGGPQRCHBT-VXGBXAGGSA-N 1 2 241.331 1.393 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000878969021 590663286 /nfs/dbraw/zinc/66/32/86/590663286.db2.gz IGLAGMGETZSLJL-RYUDHWBXSA-N 1 2 243.347 1.496 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000878969021 590663287 /nfs/dbraw/zinc/66/32/87/590663287.db2.gz IGLAGMGETZSLJL-RYUDHWBXSA-N 1 2 243.347 1.496 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000878979619 590666323 /nfs/dbraw/zinc/66/63/23/590666323.db2.gz ZHNAIKMDKMTQHQ-SECBINFHSA-N 1 2 243.257 1.853 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000878979619 590666324 /nfs/dbraw/zinc/66/63/24/590666324.db2.gz ZHNAIKMDKMTQHQ-SECBINFHSA-N 1 2 243.257 1.853 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000879057430 590689013 /nfs/dbraw/zinc/68/90/13/590689013.db2.gz LULXGQZBMRYWSM-LBPRGKRZSA-N 1 2 234.299 1.432 20 0 BDADLO CC(=O)C[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000879057430 590689016 /nfs/dbraw/zinc/68/90/16/590689016.db2.gz LULXGQZBMRYWSM-LBPRGKRZSA-N 1 2 234.299 1.432 20 0 BDADLO CCC[C@H](O)C[N@H+](C)Cc1cn[nH]c1C ZINC000879188260 590710832 /nfs/dbraw/zinc/71/08/32/590710832.db2.gz JBMQGMHTLYHKIZ-NSHDSACASA-N 1 2 211.309 1.311 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)Cc1cn[nH]c1C ZINC000879188260 590710834 /nfs/dbraw/zinc/71/08/34/590710834.db2.gz JBMQGMHTLYHKIZ-NSHDSACASA-N 1 2 211.309 1.311 20 0 BDADLO CC(=O)C[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879237109 590720231 /nfs/dbraw/zinc/72/02/31/590720231.db2.gz ADVMOAGLDHZYQA-UHFFFAOYSA-N 1 2 246.310 1.592 20 0 BDADLO CC(=O)C[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879237109 590720235 /nfs/dbraw/zinc/72/02/35/590720235.db2.gz ADVMOAGLDHZYQA-UHFFFAOYSA-N 1 2 246.310 1.592 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)no2)C1 ZINC000879318590 590738761 /nfs/dbraw/zinc/73/87/61/590738761.db2.gz NCRCPQZGIAYFOL-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)no2)C1 ZINC000879318590 590738764 /nfs/dbraw/zinc/73/87/64/590738764.db2.gz NCRCPQZGIAYFOL-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)o1 ZINC000879318553 590739374 /nfs/dbraw/zinc/73/93/74/590739374.db2.gz MNDJIKMXCFYGQB-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)o1 ZINC000879318553 590739376 /nfs/dbraw/zinc/73/93/76/590739376.db2.gz MNDJIKMXCFYGQB-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2noc(C)n2)C1 ZINC000879322585 590743106 /nfs/dbraw/zinc/74/31/06/590743106.db2.gz WUURSDXHPDBPHJ-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2noc(C)n2)C1 ZINC000879322585 590743111 /nfs/dbraw/zinc/74/31/11/590743111.db2.gz WUURSDXHPDBPHJ-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO CCOC(=O)[C@@H]1C[N@H+](CCF)CCC1(F)F ZINC000879369005 590755881 /nfs/dbraw/zinc/75/58/81/590755881.db2.gz ZXWSYNGRQCDMIF-QMMMGPOBSA-N 1 2 239.237 1.476 20 0 BDADLO CCOC(=O)[C@@H]1C[N@@H+](CCF)CCC1(F)F ZINC000879369005 590755886 /nfs/dbraw/zinc/75/58/86/590755886.db2.gz ZXWSYNGRQCDMIF-QMMMGPOBSA-N 1 2 239.237 1.476 20 0 BDADLO COC(=O)C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879407186 590763830 /nfs/dbraw/zinc/76/38/30/590763830.db2.gz VZPZLEYAWCUWCX-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC([C@@H](C)O)CC2)[nH]1 ZINC000879459314 590773523 /nfs/dbraw/zinc/77/35/23/590773523.db2.gz BBVAXQFBXQAZEY-DTWKUNHWSA-N 1 2 238.335 1.267 20 0 BDADLO CCOCC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501678 590782927 /nfs/dbraw/zinc/78/29/27/590782927.db2.gz POQIQASOKQRWFK-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CCOCC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501678 590782930 /nfs/dbraw/zinc/78/29/30/590782930.db2.gz POQIQASOKQRWFK-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879693654 590851228 /nfs/dbraw/zinc/85/12/28/590851228.db2.gz RZKIXTXGRCVSPB-ZDUSSCGKSA-N 1 2 245.326 1.455 20 0 BDADLO CC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879693654 590851230 /nfs/dbraw/zinc/85/12/30/590851230.db2.gz RZKIXTXGRCVSPB-ZDUSSCGKSA-N 1 2 245.326 1.455 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879747176 590860810 /nfs/dbraw/zinc/86/08/10/590860810.db2.gz CNIXNJVBUOFCBL-LBPRGKRZSA-N 1 2 234.299 1.700 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879747176 590860814 /nfs/dbraw/zinc/86/08/14/590860814.db2.gz CNIXNJVBUOFCBL-LBPRGKRZSA-N 1 2 234.299 1.700 20 0 BDADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cnsn1 ZINC000879787725 590870345 /nfs/dbraw/zinc/87/03/45/590870345.db2.gz LQSAGKNABPPOEF-VIFPVBQESA-N 1 2 235.316 1.359 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000879927690 590890939 /nfs/dbraw/zinc/89/09/39/590890939.db2.gz DNSKFMCHUCLFNM-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](O)CC ZINC000879980278 590902647 /nfs/dbraw/zinc/90/26/47/590902647.db2.gz HUUCBLPOEXUQKJ-GHMZBOCLSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1[nH]cc[nH+]1 ZINC000880087206 590923666 /nfs/dbraw/zinc/92/36/66/590923666.db2.gz ZFVKUKLBBQQFFC-VPOLOUISSA-N 1 2 249.314 1.402 20 0 BDADLO CCC[N@H+](C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000880195410 590956334 /nfs/dbraw/zinc/95/63/34/590956334.db2.gz PVMCQOKWHGNXGV-UHFFFAOYSA-N 1 2 247.302 1.238 20 0 BDADLO CCC[N@@H+](C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000880195410 590956338 /nfs/dbraw/zinc/95/63/38/590956338.db2.gz PVMCQOKWHGNXGV-UHFFFAOYSA-N 1 2 247.302 1.238 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@@H](CF)C2)n1 ZINC000880230989 590963182 /nfs/dbraw/zinc/96/31/82/590963182.db2.gz RWIMTXSWKGXDMX-VIFPVBQESA-N 1 2 227.283 1.814 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000880230989 590963185 /nfs/dbraw/zinc/96/31/85/590963185.db2.gz RWIMTXSWKGXDMX-VIFPVBQESA-N 1 2 227.283 1.814 20 0 BDADLO CC(C)(C)n1cc(C[NH+]2CCC(F)CC2)nn1 ZINC000880238595 590971775 /nfs/dbraw/zinc/97/17/75/590971775.db2.gz IFDMNBSHDSUPSA-UHFFFAOYSA-N 1 2 240.326 1.967 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2CCC(F)CC2)[nH]1 ZINC000880239233 590972956 /nfs/dbraw/zinc/97/29/56/590972956.db2.gz XLPAAOMJKOMCMV-QMMMGPOBSA-N 1 2 226.299 1.862 20 0 BDADLO Cc1cnc(C[NH+]2CCC(F)CC2)nc1 ZINC000880240137 590974292 /nfs/dbraw/zinc/97/42/92/590974292.db2.gz MQHJEWQSHRASHZ-UHFFFAOYSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880299356 590993914 /nfs/dbraw/zinc/99/39/14/590993914.db2.gz RUKRZGGTHVRKAP-APPZFPTMSA-N 1 2 213.256 1.730 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880299356 590993915 /nfs/dbraw/zinc/99/39/15/590993915.db2.gz RUKRZGGTHVRKAP-APPZFPTMSA-N 1 2 213.256 1.730 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880299932 590995455 /nfs/dbraw/zinc/99/54/55/590995455.db2.gz MIKGVQCEHCEKSF-VIFPVBQESA-N 1 2 226.299 1.720 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880299932 590995458 /nfs/dbraw/zinc/99/54/58/590995458.db2.gz MIKGVQCEHCEKSF-VIFPVBQESA-N 1 2 226.299 1.720 20 0 BDADLO CO[C@]1(C(F)(F)F)CC[N@H+](CC(C)=O)C1 ZINC000880308732 590999595 /nfs/dbraw/zinc/99/95/95/590999595.db2.gz HZNBHFZHNFBFHB-MRVPVSSYSA-N 1 2 225.210 1.229 20 0 BDADLO CO[C@]1(C(F)(F)F)CC[N@@H+](CC(C)=O)C1 ZINC000880308732 590999596 /nfs/dbraw/zinc/99/95/96/590999596.db2.gz HZNBHFZHNFBFHB-MRVPVSSYSA-N 1 2 225.210 1.229 20 0 BDADLO COC(=O)[C@@H]([NH2+]C/C=C/Cl)C1CCOCC1 ZINC000880334132 591006803 /nfs/dbraw/zinc/00/68/03/591006803.db2.gz DIKHRWSQDOSJIY-FWYAXHSGSA-N 1 2 247.722 1.297 20 0 BDADLO CC[N@H+](Cc1cnon1)[C@@H](CO)c1ccccc1 ZINC000880461363 591050941 /nfs/dbraw/zinc/05/09/41/591050941.db2.gz GLAPCJXLVDXBNK-ZDUSSCGKSA-N 1 2 247.298 1.625 20 0 BDADLO CC[N@@H+](Cc1cnon1)[C@@H](CO)c1ccccc1 ZINC000880461363 591050944 /nfs/dbraw/zinc/05/09/44/591050944.db2.gz GLAPCJXLVDXBNK-ZDUSSCGKSA-N 1 2 247.298 1.625 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000128447826 591058208 /nfs/dbraw/zinc/05/82/08/591058208.db2.gz NPCHMUSYDKRFPN-QWRGUYRKSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1ccc(C[N@H+]2CC=C[C@H]2CO)nc1Cl ZINC000880493265 591070688 /nfs/dbraw/zinc/07/06/88/591070688.db2.gz AFVOAAOKIJRNTJ-NSHDSACASA-N 1 2 238.718 1.776 20 0 BDADLO Cc1ccc(C[N@@H+]2CC=C[C@H]2CO)nc1Cl ZINC000880493265 591070686 /nfs/dbraw/zinc/07/06/86/591070686.db2.gz AFVOAAOKIJRNTJ-NSHDSACASA-N 1 2 238.718 1.776 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC000880494273 591073805 /nfs/dbraw/zinc/07/38/05/591073805.db2.gz LZUHOOWEDIZJRA-JTQLQIEISA-N 1 2 234.299 1.286 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC000880494273 591073808 /nfs/dbraw/zinc/07/38/08/591073808.db2.gz LZUHOOWEDIZJRA-JTQLQIEISA-N 1 2 234.299 1.286 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCc2ncncc2C1 ZINC000880596808 591106688 /nfs/dbraw/zinc/10/66/88/591106688.db2.gz BCCRDHSWKXRXIT-SNVBAGLBSA-N 1 2 241.298 1.386 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCc2ncncc2C1 ZINC000880596808 591106690 /nfs/dbraw/zinc/10/66/90/591106690.db2.gz BCCRDHSWKXRXIT-SNVBAGLBSA-N 1 2 241.298 1.386 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000880657784 591120430 /nfs/dbraw/zinc/12/04/30/591120430.db2.gz ZVXVKPTXZXHVRO-ZMLRMANQSA-N 1 2 249.314 1.183 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000880657784 591120433 /nfs/dbraw/zinc/12/04/33/591120433.db2.gz ZVXVKPTXZXHVRO-ZMLRMANQSA-N 1 2 249.314 1.183 20 0 BDADLO Cn1cc[nH+]c1Cn1cc([C@@H]2CCCCO2)nn1 ZINC000881226792 591174679 /nfs/dbraw/zinc/17/46/79/591174679.db2.gz XKNKLXNXKSADSR-NSHDSACASA-N 1 2 247.302 1.302 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc(C(C)(C)O)nn1 ZINC000881312361 591186515 /nfs/dbraw/zinc/18/65/15/591186515.db2.gz KCAPATUJKXOFBY-UHFFFAOYSA-N 1 2 232.287 1.257 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc(CC(C)(C)O)nn1 ZINC000881312000 591186600 /nfs/dbraw/zinc/18/66/00/591186600.db2.gz FLVLWOOIMTYPCM-UHFFFAOYSA-N 1 2 246.314 1.343 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C=CCC1 ZINC000881499352 591221850 /nfs/dbraw/zinc/22/18/50/591221850.db2.gz TXYUGKCGTZQVGP-IJLUTSLNSA-N 1 2 245.326 1.606 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](CF)C1 ZINC000881674529 591264052 /nfs/dbraw/zinc/26/40/52/591264052.db2.gz PGUWAEDZWSMWTJ-SECBINFHSA-N 1 2 225.267 1.160 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](CF)C1 ZINC000881674529 591264053 /nfs/dbraw/zinc/26/40/53/591264053.db2.gz PGUWAEDZWSMWTJ-SECBINFHSA-N 1 2 225.267 1.160 20 0 BDADLO Cc1[nH+]cnc(NCCCN2CCCC2=O)c1C ZINC000881734601 591268100 /nfs/dbraw/zinc/26/81/00/591268100.db2.gz OWKNWCXUCAUERT-UHFFFAOYSA-N 1 2 248.330 1.518 20 0 BDADLO COC(=O)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000881830655 591273623 /nfs/dbraw/zinc/27/36/23/591273623.db2.gz GAVYUTPRJOJBGU-UHFFFAOYSA-N 1 2 239.250 1.109 20 0 BDADLO Cc1[nH+]cnc(NCc2cocn2)c1C ZINC000881958913 591283958 /nfs/dbraw/zinc/28/39/58/591283958.db2.gz ZAJMPFFAYZOPDM-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO CCn1cc(CN(C)c2nc[nH+]c(C)c2C)cn1 ZINC000881983072 591285805 /nfs/dbraw/zinc/28/58/05/591285805.db2.gz RNYGKNZOZVLBRB-UHFFFAOYSA-N 1 2 245.330 1.946 20 0 BDADLO Cc1ccc([C@@H](O)CNc2cc(CO)cc[nH+]2)o1 ZINC000882009648 591287682 /nfs/dbraw/zinc/28/76/82/591287682.db2.gz BIDYESDVLHCUDN-NSHDSACASA-N 1 2 248.282 1.621 20 0 BDADLO Cc1ccc([C@@H](O)CNc2cc[nH+]cc2F)o1 ZINC000882011014 591287732 /nfs/dbraw/zinc/28/77/32/591287732.db2.gz WMSYDLWWLTZFKH-NSHDSACASA-N 1 2 236.246 1.690 20 0 BDADLO Cn1c[nH+]cc1CCSC1=NCCS1 ZINC000882033982 591289360 /nfs/dbraw/zinc/28/93/60/591289360.db2.gz LMZQPIDLRONPJP-UHFFFAOYSA-N 1 2 227.358 1.799 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2C=C[C@H](CO)C2)c1C ZINC000882049456 591291690 /nfs/dbraw/zinc/29/16/90/591291690.db2.gz ABXWYDQMJFWILK-WDEREUQCSA-N 1 2 219.288 1.442 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCc3c[nH]nc3C2)c1C ZINC000882084336 591295417 /nfs/dbraw/zinc/29/54/17/591295417.db2.gz OREPKBZQYRAJRO-LLVKDONJSA-N 1 2 243.314 1.786 20 0 BDADLO C[C@@H]1COCCN(c2cc[nH+]cc2F)C1 ZINC000882131217 591303489 /nfs/dbraw/zinc/30/34/89/591303489.db2.gz BWEXNDDVTCDZMA-VIFPVBQESA-N 1 2 210.252 1.693 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCC=CO2)c1 ZINC000882229335 591317845 /nfs/dbraw/zinc/31/78/45/591317845.db2.gz IQUUEECCGPPJQE-NSHDSACASA-N 1 2 220.272 1.679 20 0 BDADLO COCC1(C)CN(c2nc[nH+]c(C)c2C)C1 ZINC000882281840 591325784 /nfs/dbraw/zinc/32/57/84/591325784.db2.gz LOLFJOISHUCMTG-UHFFFAOYSA-N 1 2 221.304 1.566 20 0 BDADLO CN1CC[C@@H](Cn2c[nH+]c(C(C)(C)C)c2)C1=O ZINC000882280692 591325864 /nfs/dbraw/zinc/32/58/64/591325864.db2.gz IJRULYZQIXURLY-JTQLQIEISA-N 1 2 235.331 1.659 20 0 BDADLO Fc1c[nH+]ccc1N1CCO[C@@H](C(F)F)C1 ZINC000882317189 591329004 /nfs/dbraw/zinc/32/90/04/591329004.db2.gz DFAAKSFEACJQAN-SECBINFHSA-N 1 2 232.205 1.691 20 0 BDADLO Cc1[nH+]cnc(NCC2([S@@](C)=O)CC2)c1C ZINC000882314126 591329484 /nfs/dbraw/zinc/32/94/84/591329484.db2.gz NWVNPVUQIKEMSN-MRXNPFEDSA-N 1 2 239.344 1.416 20 0 BDADLO O=C1C[C@H](Nc2cc(C3CC3)[nH+]cn2)CO1 ZINC000882388289 591341715 /nfs/dbraw/zinc/34/17/15/591341715.db2.gz YAMIIJVVIRIOLQ-QMMMGPOBSA-N 1 2 219.244 1.081 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)C2CCC2)c1C ZINC000882433042 591347871 /nfs/dbraw/zinc/34/78/71/591347871.db2.gz VMPPYMKWPKZFMD-LLVKDONJSA-N 1 2 221.304 1.666 20 0 BDADLO COCOCCCNc1nc[nH+]c(C)c1C ZINC000882519297 591381304 /nfs/dbraw/zinc/38/13/04/591381304.db2.gz SXZBTQPPAZMCOY-UHFFFAOYSA-N 1 2 225.292 1.516 20 0 BDADLO Cc1[nH+]cnc(N2CCC([C@@H](C)CO)CC2)c1C ZINC000882528518 591382312 /nfs/dbraw/zinc/38/23/12/591382312.db2.gz URIMWGJOVYHAOC-JTQLQIEISA-N 1 2 249.358 1.938 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H]3COC[C@@H]3C2)c1C ZINC000882631273 591404712 /nfs/dbraw/zinc/40/47/12/591404712.db2.gz IKENBJLYQCCXMU-RYUDHWBXSA-N 1 2 233.315 1.566 20 0 BDADLO Cc1[nH]c(C(=O)NC2CCC3(COC3)CC2)c[nH+]1 ZINC000882760442 591431425 /nfs/dbraw/zinc/43/14/25/591431425.db2.gz DNOSYAQELGADCG-UHFFFAOYSA-N 1 2 249.314 1.407 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](CF)C1 ZINC000882800496 591443033 /nfs/dbraw/zinc/44/30/33/591443033.db2.gz AZHXYUPSFNJMAZ-SECBINFHSA-N 1 2 249.293 1.549 20 0 BDADLO FC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000882806726 591446119 /nfs/dbraw/zinc/44/61/19/591446119.db2.gz OLHANXSDRTYZNF-UHFFFAOYSA-N 1 2 247.277 1.601 20 0 BDADLO CC(C)c1nc(N2CC=C[C@H]2CO)cc[nH+]1 ZINC000882976635 591490255 /nfs/dbraw/zinc/49/02/55/591490255.db2.gz IYKXHLCDEJMGOH-JTQLQIEISA-N 1 2 219.288 1.337 20 0 BDADLO Cc1cc(N2CCC3(CC2)COCCO3)nc[nH+]1 ZINC000882996207 591499936 /nfs/dbraw/zinc/49/99/36/591499936.db2.gz GRMOVUFIZNFCBL-UHFFFAOYSA-N 1 2 249.314 1.171 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CO)c(Cl)n1 ZINC000883012840 591513280 /nfs/dbraw/zinc/51/32/80/591513280.db2.gz VKQUWWRAYMDBMH-UHFFFAOYSA-N 1 2 229.667 1.034 20 0 BDADLO NC(CO)=[NH+]OCc1ccccc1OC1CC1 ZINC000883013685 591514265 /nfs/dbraw/zinc/51/42/65/591514265.db2.gz WUKHOLOKJQSFAC-UHFFFAOYSA-N 1 2 236.271 1.219 20 0 BDADLO NC(CO)=[NH+]OCC[C@H]1CCCC1(F)F ZINC000883013282 591514498 /nfs/dbraw/zinc/51/44/98/591514498.db2.gz KFHHAPJBLFSWLY-SSDOTTSWSA-N 1 2 222.235 1.303 20 0 BDADLO CC(C)c1cccc(CO[NH+]=C(N)CO)c1 ZINC000883013773 591514553 /nfs/dbraw/zinc/51/45/53/591514553.db2.gz ZNLBVXHBEMPUCY-UHFFFAOYSA-N 1 2 222.288 1.801 20 0 BDADLO COc1ccc[nH+]c1N1CCc2ncncc2C1 ZINC000883017522 591515715 /nfs/dbraw/zinc/51/57/15/591515715.db2.gz PBVPLUXJJYNBJE-UHFFFAOYSA-N 1 2 242.282 1.443 20 0 BDADLO C=C/C=C/CCNC(=O)NCCCn1cc[nH+]c1 ZINC000883035979 591522527 /nfs/dbraw/zinc/52/25/27/591522527.db2.gz WAAPAEHRANKUPB-ONEGZZNKSA-N 1 2 248.330 1.705 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000883048935 591528415 /nfs/dbraw/zinc/52/84/15/591528415.db2.gz YQRFFDHWGMLQCL-VIFPVBQESA-N 1 2 208.261 1.568 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)c1ccccc1C ZINC000883059309 591532048 /nfs/dbraw/zinc/53/20/48/591532048.db2.gz SINHLCSHRHNFFD-SNVBAGLBSA-N 1 2 222.288 1.876 20 0 BDADLO COCc1cc(C[NH2+][C@H](C)c2ccc[nH]2)no1 ZINC000883077415 591535442 /nfs/dbraw/zinc/53/54/42/591535442.db2.gz JAGFCIUYOUZBOU-SECBINFHSA-N 1 2 235.287 2.000 20 0 BDADLO Cn1cc(N[C@@H]2CCc3ccc[nH+]c3CC2)nn1 ZINC000883145141 591551407 /nfs/dbraw/zinc/55/14/07/591551407.db2.gz OQVJFBUFBZFMNX-LLVKDONJSA-N 1 2 243.314 1.570 20 0 BDADLO Cc1ccc(CNc2cc(CO)cc[nH+]2)nn1 ZINC000883147869 591552410 /nfs/dbraw/zinc/55/24/10/591552410.db2.gz MALNUVJMYUCZRR-UHFFFAOYSA-N 1 2 230.271 1.284 20 0 BDADLO Cn1ccc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000883307168 591610428 /nfs/dbraw/zinc/61/04/28/591610428.db2.gz NRTPRNXDPHFVIX-UHFFFAOYSA-N 1 2 242.326 1.984 20 0 BDADLO C=C/C=C/CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000883918953 591773420 /nfs/dbraw/zinc/77/34/20/591773420.db2.gz CRLUKPBCHJUFOF-UFFNRZRYSA-N 1 2 246.314 1.239 20 0 BDADLO C=C/C=C/CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000883918952 591773434 /nfs/dbraw/zinc/77/34/34/591773434.db2.gz CRLUKPBCHJUFOF-PGLGOXFNSA-N 1 2 246.314 1.239 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccsc2)nn1 ZINC000883990549 591788631 /nfs/dbraw/zinc/78/86/31/591788631.db2.gz OXXFMRQFVHNPLJ-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccsc2)nn1 ZINC000883990549 591788638 /nfs/dbraw/zinc/78/86/38/591788638.db2.gz OXXFMRQFVHNPLJ-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)nn1 ZINC000884003948 591792395 /nfs/dbraw/zinc/79/23/95/591792395.db2.gz WNEHYKJQQGYHSC-AOOOYVTPSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)nn1 ZINC000884003948 591792398 /nfs/dbraw/zinc/79/23/98/591792398.db2.gz WNEHYKJQQGYHSC-AOOOYVTPSA-N 1 2 240.376 1.624 20 0 BDADLO CCC/C=C/C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800138867 591827178 /nfs/dbraw/zinc/82/71/78/591827178.db2.gz YRUDAAAIIRPPCL-FYJFLYSWSA-N 1 2 241.331 1.607 20 0 BDADLO CCC/C=C/C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800138867 591827181 /nfs/dbraw/zinc/82/71/81/591827181.db2.gz YRUDAAAIIRPPCL-FYJFLYSWSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800139358 591827234 /nfs/dbraw/zinc/82/72/34/591827234.db2.gz YSKGLSNNRVZZTR-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800139358 591827236 /nfs/dbraw/zinc/82/72/36/591827236.db2.gz YSKGLSNNRVZZTR-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H](C(=O)OCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000800176518 591830973 /nfs/dbraw/zinc/83/09/73/591830973.db2.gz IVARUZRAYTXQAN-GHMZBOCLSA-N 1 2 241.331 1.296 20 0 BDADLO C[C@@H](C(=O)OCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000800176518 591830977 /nfs/dbraw/zinc/83/09/77/591830977.db2.gz IVARUZRAYTXQAN-GHMZBOCLSA-N 1 2 241.331 1.296 20 0 BDADLO Cn1c2ccncc2n(C[NH+]2CCCCC2)c1=O ZINC000133602394 591842627 /nfs/dbraw/zinc/84/26/27/591842627.db2.gz UWLDRDHQZOJUTF-UHFFFAOYSA-N 1 2 246.314 1.178 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000134554929 591935890 /nfs/dbraw/zinc/93/58/90/591935890.db2.gz QHLOXIRGOANGGA-KOLCDFICSA-N 1 2 225.336 1.776 20 0 BDADLO CCc1nc(NCc2cn(C(C)C)nn2)cc[nH+]1 ZINC000884512903 591962070 /nfs/dbraw/zinc/96/20/70/591962070.db2.gz TWHVXILYUOGWQW-UHFFFAOYSA-N 1 2 246.318 1.824 20 0 BDADLO CCc1nc(N2CC(C3CC3)C2)cc[nH+]1 ZINC000884512712 591962368 /nfs/dbraw/zinc/96/23/68/591962368.db2.gz OBKUWNAFEGKBHF-UHFFFAOYSA-N 1 2 203.289 1.885 20 0 BDADLO CCc1nc(N2CCC[C@@H](CO)[C@H]2C)cc[nH+]1 ZINC000884532071 591969362 /nfs/dbraw/zinc/96/93/62/591969362.db2.gz BKLNIAIGUWJAGU-MNOVXSKESA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N2CC[C@@H](O)CC23CCC3)cc[nH+]1 ZINC000884533952 591969892 /nfs/dbraw/zinc/96/98/92/591969892.db2.gz UIZQYHCOPKLPPV-LLVKDONJSA-N 1 2 247.342 1.923 20 0 BDADLO CCc1nc(NCCCc2ncn(C)n2)cc[nH+]1 ZINC000884541582 591972703 /nfs/dbraw/zinc/97/27/03/591972703.db2.gz IOTJYEQMUICQOL-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BDADLO CCc1nc(N2CCC(C3(O)CC3)CC2)cc[nH+]1 ZINC000884544118 591973531 /nfs/dbraw/zinc/97/35/31/591973531.db2.gz WYGUAPLEGYOITO-UHFFFAOYSA-N 1 2 247.342 1.780 20 0 BDADLO CCc1nc(N2C[C@@H]3COC[C@@]3(C)C2)cc[nH+]1 ZINC000884556983 591978132 /nfs/dbraw/zinc/97/81/32/591978132.db2.gz DWIBIJAAKKEULY-ZWNOBZJWSA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N[C@H]2C[C@@H](CO)C2)cc[nH+]1 ZINC000884569481 591983290 /nfs/dbraw/zinc/98/32/90/591983290.db2.gz OQHXZDFZRIGGMP-DTORHVGOSA-N 1 2 207.277 1.222 20 0 BDADLO CCc1nc(NCCN(C)CC(F)F)cc[nH+]1 ZINC000884568618 591983456 /nfs/dbraw/zinc/98/34/56/591983456.db2.gz PTOKTPFAXVVFSX-UHFFFAOYSA-N 1 2 244.289 1.648 20 0 BDADLO CCc1nc(N[C@@H](C)[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000884571671 591983897 /nfs/dbraw/zinc/98/38/97/591983897.db2.gz VMVSAYZUAIXRIV-IMTBSYHQSA-N 1 2 249.236 1.763 20 0 BDADLO CCc1nc(NC[C@H]2C[C@H](OC)C2)cc[nH+]1 ZINC000884581237 591987208 /nfs/dbraw/zinc/98/72/08/591987208.db2.gz XRWGZGQDLZLUCT-MGCOHNPYSA-N 1 2 221.304 1.876 20 0 BDADLO Nc1nc(N2C[C@@H]3C[C@@H]3C2)[nH+]c2ccccc12 ZINC000884590086 591989469 /nfs/dbraw/zinc/98/94/69/591989469.db2.gz PIEXDKOZBFTIHM-DTORHVGOSA-N 1 2 226.283 1.668 20 0 BDADLO Nc1nc(N2C[C@@H]3C[C@@H]3C2)nc(C2CCCC2)[nH+]1 ZINC000884591871 591990642 /nfs/dbraw/zinc/99/06/42/591990642.db2.gz AOMLSPNDVGZPIQ-AOOOYVTPSA-N 1 2 245.330 1.568 20 0 BDADLO Nc1nc(C2CCCC2)[nH+]c(N2C[C@@H]3C[C@@H]3C2)n1 ZINC000884591871 591990645 /nfs/dbraw/zinc/99/06/45/591990645.db2.gz AOMLSPNDVGZPIQ-AOOOYVTPSA-N 1 2 245.330 1.568 20 0 BDADLO Cc1cc(N[C@H](CO)C[C@H]2CCCO2)nc[nH+]1 ZINC000884615563 591994395 /nfs/dbraw/zinc/99/43/95/591994395.db2.gz KEQDMRNMPSPOMS-WDEREUQCSA-N 1 2 237.303 1.127 20 0 BDADLO Cc1nc(NC[C@@H]2CC3(CCC3)CO2)nc(N)[nH+]1 ZINC000884659857 592006429 /nfs/dbraw/zinc/00/64/29/592006429.db2.gz FXVMHCLDBKBXMA-VIFPVBQESA-N 1 2 249.318 1.133 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CC3(CCC3)CO2)[nH+]1 ZINC000884659857 592006430 /nfs/dbraw/zinc/00/64/30/592006430.db2.gz FXVMHCLDBKBXMA-VIFPVBQESA-N 1 2 249.318 1.133 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CC3(CCC3)CO2)c1 ZINC000884660252 592006534 /nfs/dbraw/zinc/00/65/34/592006534.db2.gz OEQSUHIFIWGWBS-LBPRGKRZSA-N 1 2 248.326 1.945 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884751032 592017131 /nfs/dbraw/zinc/01/71/31/592017131.db2.gz INMUZSQJPVBNNM-OLZOCXBDSA-N 1 2 248.326 1.579 20 0 BDADLO Cc1ncc(CC(=O)OCCCn2cc[nH+]c2)o1 ZINC000885339411 592069971 /nfs/dbraw/zinc/06/99/71/592069971.db2.gz GBJGUWOAQLVQIX-UHFFFAOYSA-N 1 2 249.270 1.356 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885983944 592120255 /nfs/dbraw/zinc/12/02/55/592120255.db2.gz UGDVRGOUQXURBP-WDEREUQCSA-N 1 2 241.331 1.485 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@](C)(O)C(F)F ZINC000886019240 592132689 /nfs/dbraw/zinc/13/26/89/592132689.db2.gz OZHMHOHXWZKIOO-SECBINFHSA-N 1 2 220.219 1.123 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@](C)(O)C(F)F ZINC000886019240 592132691 /nfs/dbraw/zinc/13/26/91/592132691.db2.gz OZHMHOHXWZKIOO-SECBINFHSA-N 1 2 220.219 1.123 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@]12C[C@H]1CCC2 ZINC000885989678 592122561 /nfs/dbraw/zinc/12/25/61/592122561.db2.gz KYBDJDJDUIDMKE-SKDRFNHKSA-N 1 2 219.288 1.259 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@]12C[C@H]1CCC2 ZINC000885989678 592122563 /nfs/dbraw/zinc/12/25/63/592122563.db2.gz KYBDJDJDUIDMKE-SKDRFNHKSA-N 1 2 219.288 1.259 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000885993662 592124098 /nfs/dbraw/zinc/12/40/98/592124098.db2.gz SFTZPIWCAPTRKK-GYSYKLTISA-N 1 2 247.342 1.895 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000885993662 592124100 /nfs/dbraw/zinc/12/41/00/592124100.db2.gz SFTZPIWCAPTRKK-GYSYKLTISA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@]1(O)CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000218067427 592151348 /nfs/dbraw/zinc/15/13/48/592151348.db2.gz AOTIKPFPUSHNEK-RBMBQVQZSA-N 1 2 210.104 1.762 20 0 BDADLO C[C@@]1(O)CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000218067427 592151349 /nfs/dbraw/zinc/15/13/49/592151349.db2.gz AOTIKPFPUSHNEK-RBMBQVQZSA-N 1 2 210.104 1.762 20 0 BDADLO C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000886164443 592166568 /nfs/dbraw/zinc/16/65/68/592166568.db2.gz LEDINPPLIZOLFK-ZWNOBZJWSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000886164443 592166570 /nfs/dbraw/zinc/16/65/70/592166570.db2.gz LEDINPPLIZOLFK-ZWNOBZJWSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000886164441 592166629 /nfs/dbraw/zinc/16/66/29/592166629.db2.gz LEDINPPLIZOLFK-GXFFZTMASA-N 1 2 248.330 1.120 20 0 BDADLO C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000886164441 592166631 /nfs/dbraw/zinc/16/66/31/592166631.db2.gz LEDINPPLIZOLFK-GXFFZTMASA-N 1 2 248.330 1.120 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000886177207 592170371 /nfs/dbraw/zinc/17/03/71/592170371.db2.gz WUSKIJMVXUTJIW-LBPRGKRZSA-N 1 2 231.303 1.778 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000886177207 592170373 /nfs/dbraw/zinc/17/03/73/592170373.db2.gz WUSKIJMVXUTJIW-LBPRGKRZSA-N 1 2 231.303 1.778 20 0 BDADLO C[C@](O)(C[N@@H+]1Cc2ccncc2C1)C(F)F ZINC000886202844 592174590 /nfs/dbraw/zinc/17/45/90/592174590.db2.gz GJQXLPVODHAPQV-NSHDSACASA-N 1 2 228.242 1.413 20 0 BDADLO C[C@](O)(C[N@H+]1Cc2ccncc2C1)C(F)F ZINC000886202844 592174592 /nfs/dbraw/zinc/17/45/92/592174592.db2.gz GJQXLPVODHAPQV-NSHDSACASA-N 1 2 228.242 1.413 20 0 BDADLO CCn1cc[nH+]c1CNc1n[nH]c2c1COCC2 ZINC000886206220 592175931 /nfs/dbraw/zinc/17/59/31/592175931.db2.gz MYNXIJQGUCPLGA-UHFFFAOYSA-N 1 2 247.302 1.311 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000886236206 592182098 /nfs/dbraw/zinc/18/20/98/592182098.db2.gz BLGYDFCLWXXIHY-UMNHJUIQSA-N 1 2 249.301 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000886236206 592182100 /nfs/dbraw/zinc/18/21/00/592182100.db2.gz BLGYDFCLWXXIHY-UMNHJUIQSA-N 1 2 249.301 1.361 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)s1 ZINC000886249427 592186622 /nfs/dbraw/zinc/18/66/22/592186622.db2.gz JYECAVKFOIELHA-KWQFWETISA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)s1 ZINC000886249427 592186624 /nfs/dbraw/zinc/18/66/24/592186624.db2.gz JYECAVKFOIELHA-KWQFWETISA-N 1 2 242.344 1.033 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886335841 592211420 /nfs/dbraw/zinc/21/14/20/592211420.db2.gz IPASBQCWUDNQNF-XHNCKOQMSA-N 1 2 223.276 1.229 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886335841 592211421 /nfs/dbraw/zinc/21/14/21/592211421.db2.gz IPASBQCWUDNQNF-XHNCKOQMSA-N 1 2 223.276 1.229 20 0 BDADLO CCn1cc(Cl)c(NCc2[nH+]ccn2C)n1 ZINC000886368422 592220768 /nfs/dbraw/zinc/22/07/68/592220768.db2.gz SAYJCNDZWFUESZ-UHFFFAOYSA-N 1 2 239.710 1.902 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cc[nH]n1 ZINC000886441576 592225883 /nfs/dbraw/zinc/22/58/83/592225883.db2.gz AHIHYTFMTOKUCV-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cc[nH]n1 ZINC000886441576 592225886 /nfs/dbraw/zinc/22/58/86/592225886.db2.gz AHIHYTFMTOKUCV-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ncco2)C1=O ZINC000886532932 592249411 /nfs/dbraw/zinc/24/94/11/592249411.db2.gz RJQAYZQYJHWVAA-VHSXEESVSA-N 1 2 237.303 1.335 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ccon1)c1cnn(C)c1 ZINC000886536746 592251177 /nfs/dbraw/zinc/25/11/77/592251177.db2.gz NYSXUUNRPOXGCY-GFCCVEGCSA-N 1 2 234.303 1.895 20 0 BDADLO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ncco1 ZINC000886539417 592254184 /nfs/dbraw/zinc/25/41/84/592254184.db2.gz ZDLGCAVVQWLCEW-HTRCEHHLSA-N 1 2 238.209 1.639 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)/C=C\C1CC1)C2 ZINC000886619344 592277762 /nfs/dbraw/zinc/27/77/62/592277762.db2.gz ACCJWLVSWLDOHC-WAYWQWQTSA-N 1 2 245.326 1.754 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2F)CCO1 ZINC000221093493 592396779 /nfs/dbraw/zinc/39/67/79/592396779.db2.gz ZUIBHESXTSAYRL-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)CCO1 ZINC000221093493 592396785 /nfs/dbraw/zinc/39/67/85/592396785.db2.gz ZUIBHESXTSAYRL-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO CCOC(=O)[C@@H](CCCC(C)C)[NH2+]C[C@H](C)O ZINC000886934501 592396835 /nfs/dbraw/zinc/39/68/35/592396835.db2.gz YMDSVVMPYBANDZ-NWDGAFQWSA-N 1 2 245.363 1.715 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@]23C[C@H]2CCC3)c1 ZINC000887030689 592422691 /nfs/dbraw/zinc/42/26/91/592422691.db2.gz DKFUSTJRCGFXDZ-FYDKOMJYSA-N 1 2 231.299 1.492 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]Cc1nc(C)c(C)o1)C(N)=O ZINC000887060851 592434119 /nfs/dbraw/zinc/43/41/19/592434119.db2.gz AHDKYQFUDJXMHM-CPCISQLKSA-N 1 2 239.319 1.281 20 0 BDADLO CCOC[C@@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887099223 592441720 /nfs/dbraw/zinc/44/17/20/592441720.db2.gz VYXODYVOTBFQIY-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CCOC[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887099223 592441721 /nfs/dbraw/zinc/44/17/21/592441721.db2.gz VYXODYVOTBFQIY-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO Cn1cc(CC[N@H+](CC(F)F)C2CCC2)nn1 ZINC000887102643 592443281 /nfs/dbraw/zinc/44/32/81/592443281.db2.gz YYHCEUBARMVCBX-UHFFFAOYSA-N 1 2 244.289 1.477 20 0 BDADLO Cn1cc(CC[N@@H+](CC(F)F)C2CCC2)nn1 ZINC000887102643 592443283 /nfs/dbraw/zinc/44/32/83/592443283.db2.gz YYHCEUBARMVCBX-UHFFFAOYSA-N 1 2 244.289 1.477 20 0 BDADLO CCCc1nc(C[N@H+](C)CCCF)no1 ZINC000887137324 592451621 /nfs/dbraw/zinc/45/16/21/592451621.db2.gz CRWSRGLURGOXHC-UHFFFAOYSA-N 1 2 215.272 1.814 20 0 BDADLO CCCc1nc(C[N@@H+](C)CCCF)no1 ZINC000887137324 592451622 /nfs/dbraw/zinc/45/16/22/592451622.db2.gz CRWSRGLURGOXHC-UHFFFAOYSA-N 1 2 215.272 1.814 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCCF)[nH]1 ZINC000887142601 592459300 /nfs/dbraw/zinc/45/93/00/592459300.db2.gz RSPHQZJBZXBMIY-ZETCQYMHSA-N 1 2 200.261 1.466 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCCF)[nH]1 ZINC000887142601 592459303 /nfs/dbraw/zinc/45/93/03/592459303.db2.gz RSPHQZJBZXBMIY-ZETCQYMHSA-N 1 2 200.261 1.466 20 0 BDADLO CCn1cc(C[N@H+](C)CCOC(C)(C)C)nn1 ZINC000887155045 592462502 /nfs/dbraw/zinc/46/25/02/592462502.db2.gz KPIVILDGWHDODM-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCn1cc(C[N@@H+](C)CCOC(C)(C)C)nn1 ZINC000887155045 592462505 /nfs/dbraw/zinc/46/25/05/592462505.db2.gz KPIVILDGWHDODM-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO C[C@H]1CC[C@@]2(C1)[NH2+]C1(CCOCC1)C(=O)N2C ZINC000887333954 592481720 /nfs/dbraw/zinc/48/17/20/592481720.db2.gz DVSVLOSCYILKKK-GXFFZTMASA-N 1 2 238.331 1.114 20 0 BDADLO CC(C)(CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000887373841 592496588 /nfs/dbraw/zinc/49/65/88/592496588.db2.gz VDPITAMQDPVZGZ-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CCCF ZINC000887933932 592560839 /nfs/dbraw/zinc/56/08/39/592560839.db2.gz LOGLLRVBZDYRJP-UHFFFAOYSA-N 1 2 225.267 1.635 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C1(CO)CCC1 ZINC000887933692 592561011 /nfs/dbraw/zinc/56/10/11/592561011.db2.gz BSLZVKTVQMJMAF-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889608245 592628442 /nfs/dbraw/zinc/62/84/42/592628442.db2.gz FJOPEHSPVMTKQP-IVZWLZJFSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889615907 592630411 /nfs/dbraw/zinc/63/04/11/592630411.db2.gz DIVHGHZXEKSTPU-DVVUODLYSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889615907 592630413 /nfs/dbraw/zinc/63/04/13/592630413.db2.gz DIVHGHZXEKSTPU-DVVUODLYSA-N 1 2 219.288 1.257 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C(F)F)CCC2)c1 ZINC000890099716 592679393 /nfs/dbraw/zinc/67/93/93/592679393.db2.gz HOQQEQVNRGQJSZ-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104855 592681402 /nfs/dbraw/zinc/68/14/02/592681402.db2.gz RQSYSMRYZDAUAI-NSHDSACASA-N 1 2 239.319 1.097 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C(C)(C)C(F)F)c1 ZINC000890107278 592681477 /nfs/dbraw/zinc/68/14/77/592681477.db2.gz IONKGLJEFIJVBZ-UHFFFAOYSA-N 1 2 231.246 1.328 20 0 BDADLO CC/C(C)=C\C(=O)NCc1cn(C)c[nH+]1 ZINC000890104998 592681608 /nfs/dbraw/zinc/68/16/08/592681608.db2.gz UYSFOTYGICOJTM-UITAMQMPSA-N 1 2 207.277 1.393 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890106797 592681930 /nfs/dbraw/zinc/68/19/30/592681930.db2.gz DPKJUPWVUAVLRR-NXEZZACHSA-N 1 2 249.314 1.042 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000890104885 592682084 /nfs/dbraw/zinc/68/20/84/592682084.db2.gz SKUKBDHEMBKSCT-JBLDHEPKSA-N 1 2 233.315 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(F)CCCC2)c1 ZINC000890107915 592682913 /nfs/dbraw/zinc/68/29/13/592682913.db2.gz QNEBJGRBXZLMQM-UHFFFAOYSA-N 1 2 225.267 1.319 20 0 BDADLO CC(C)[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113548 592683946 /nfs/dbraw/zinc/68/39/46/592683946.db2.gz HYEGVMXTCLXJKZ-VIFPVBQESA-N 1 2 209.293 1.328 20 0 BDADLO COCCC[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109783 592684653 /nfs/dbraw/zinc/68/46/53/592684653.db2.gz SIBNGQYMTZFUOC-JTQLQIEISA-N 1 2 239.319 1.099 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CC(F)(F)C2)c1 ZINC000890109806 592684757 /nfs/dbraw/zinc/68/47/57/592684757.db2.gz GUTXYDYOYCVYSH-UHFFFAOYSA-N 1 2 229.230 1.082 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C=C2CCCC2)c1 ZINC000890114656 592685661 /nfs/dbraw/zinc/68/56/61/592685661.db2.gz UDDNSAGKAYRDDT-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccnn1C1CCC1 ZINC000890353952 592693693 /nfs/dbraw/zinc/69/36/93/592693693.db2.gz ZTBHFDDFBDUIQO-UHFFFAOYSA-N 1 2 245.286 1.443 20 0 BDADLO O=C([O-])CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037252331 597239458 /nfs/dbraw/zinc/23/94/58/597239458.db2.gz WOXXHCJCMNDRQD-UHFFFAOYSA-N 1 2 249.314 1.115 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000044993048 598215299 /nfs/dbraw/zinc/21/52/99/598215299.db2.gz ONLMANFUBOINIJ-GHMZBOCLSA-N 1 2 228.336 1.314 20 0 BDADLO C[C@]1(C(=O)[O-])CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000062934971 605057095 /nfs/dbraw/zinc/05/70/95/605057095.db2.gz SUMOWQKDTDQORZ-LBPRGKRZSA-N 1 2 237.303 1.070 20 0 BDADLO C[C@]1(C(=O)[O-])CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000062934971 605057100 /nfs/dbraw/zinc/05/71/00/605057100.db2.gz SUMOWQKDTDQORZ-LBPRGKRZSA-N 1 2 237.303 1.070 20 0 BDADLO O=C([O-])[C@H]1CC12CC[NH+](CCn1cc[nH+]c1)CC2 ZINC000405409341 605141230 /nfs/dbraw/zinc/14/12/30/605141230.db2.gz VYWNIFQZPKXVKU-LLVKDONJSA-N 1 2 249.314 1.070 20 0 BDADLO CCCC(CCC)[NH2+][C@H](CO)C(=O)OC ZINC001257328886 984898775 /nfs/dbraw/zinc/89/87/75/984898775.db2.gz MSYGUUVZJDPWPV-SNVBAGLBSA-N 1 2 217.309 1.079 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](CC)CO)C(=O)OC ZINC000299996440 634404595 /nfs/dbraw/zinc/40/45/95/634404595.db2.gz LEFQKLIYDADFAV-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nncs2)C1 ZINC000931475392 634501104 /nfs/dbraw/zinc/50/11/04/634501104.db2.gz TWRZEEDZWPROFZ-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nncs2)C1 ZINC000931475392 634501117 /nfs/dbraw/zinc/50/11/17/634501117.db2.gz TWRZEEDZWPROFZ-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](C/C=C/Cl)C1)C(F)F ZINC001009814244 634589673 /nfs/dbraw/zinc/58/96/73/634589673.db2.gz GCUOZJSWAPINTP-RCYFRSRISA-N 1 2 238.665 1.195 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](C/C=C/Cl)C1)C(F)F ZINC001009814244 634589680 /nfs/dbraw/zinc/58/96/80/634589680.db2.gz GCUOZJSWAPINTP-RCYFRSRISA-N 1 2 238.665 1.195 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000260296021 635315677 /nfs/dbraw/zinc/31/56/77/635315677.db2.gz YZRFILVPXSRSFC-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000260296021 635315681 /nfs/dbraw/zinc/31/56/81/635315681.db2.gz YZRFILVPXSRSFC-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO CCN(CC)C(=O)C[NH2+]Cc1cscn1 ZINC000064411218 635473654 /nfs/dbraw/zinc/47/36/54/635473654.db2.gz XJSSGKXZANYGNE-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCC(O)(CC)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000090815199 631234836 /nfs/dbraw/zinc/23/48/36/631234836.db2.gz CSYLTIJQLKDQQJ-SNVBAGLBSA-N 1 2 245.363 1.857 20 0 BDADLO CC(C)C[C@@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000090814858 631235048 /nfs/dbraw/zinc/23/50/48/631235048.db2.gz HGOCLPFVKTXLRB-MNOVXSKESA-N 1 2 245.363 1.713 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324796 631252307 /nfs/dbraw/zinc/25/23/07/631252307.db2.gz FGUTUKYTXDOQFF-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324796 631252312 /nfs/dbraw/zinc/25/23/12/631252312.db2.gz FGUTUKYTXDOQFF-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cc(NC[C@@H](C)O)nc(C2CCC2)[nH+]1 ZINC000891437557 631255312 /nfs/dbraw/zinc/25/53/12/631255312.db2.gz UDNZBWJEIVKFOI-SECBINFHSA-N 1 2 221.304 1.845 20 0 BDADLO COC(=O)C[N@H+](C)CCSC(C)(C)C ZINC000308448327 631294064 /nfs/dbraw/zinc/29/40/64/631294064.db2.gz AHIVVGMQWAHTBI-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO COC(=O)C[N@@H+](C)CCSC(C)(C)C ZINC000308448327 631294070 /nfs/dbraw/zinc/29/40/70/631294070.db2.gz AHIVVGMQWAHTBI-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(N)=O ZINC000087375589 631479081 /nfs/dbraw/zinc/47/90/81/631479081.db2.gz MRTLUMOAOJMNRL-SSDOTTSWSA-N 1 2 241.360 1.404 20 0 BDADLO CC[C@](C)(O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933822838 631518538 /nfs/dbraw/zinc/51/85/38/631518538.db2.gz BYUGSAIPGRFBNG-ZDUSSCGKSA-N 1 2 247.298 1.454 20 0 BDADLO CNc1cc(N[C@H]2CCO[C@H](C)C2)[nH+]cn1 ZINC000234534259 631568969 /nfs/dbraw/zinc/56/89/69/631568969.db2.gz ICJWUFNTMOTIFK-BDAKNGLRSA-N 1 2 222.292 1.498 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@H]2CO)cs1 ZINC000934012279 631587499 /nfs/dbraw/zinc/58/74/99/631587499.db2.gz PYROZKFURGOCKT-VIFPVBQESA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@H]2CO)cs1 ZINC000934012279 631587503 /nfs/dbraw/zinc/58/75/03/631587503.db2.gz PYROZKFURGOCKT-VIFPVBQESA-N 1 2 241.312 1.101 20 0 BDADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]1CO ZINC000934014077 631593937 /nfs/dbraw/zinc/59/39/37/631593937.db2.gz KIYKHSNPAQPVAI-ZJUUUORDSA-N 1 2 229.320 1.173 20 0 BDADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]1CO ZINC000934014077 631593945 /nfs/dbraw/zinc/59/39/45/631593945.db2.gz KIYKHSNPAQPVAI-ZJUUUORDSA-N 1 2 229.320 1.173 20 0 BDADLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H]2CO)c1 ZINC000934026237 631604002 /nfs/dbraw/zinc/60/40/02/631604002.db2.gz LKOSLTPNDORNGP-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H]2CO)c1 ZINC000934026237 631604009 /nfs/dbraw/zinc/60/40/09/631604009.db2.gz LKOSLTPNDORNGP-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]2CO)cc1C ZINC000934029260 631628593 /nfs/dbraw/zinc/62/85/93/631628593.db2.gz YCVFVPBQPQIXAV-ZDUSSCGKSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H]2CO)cc1C ZINC000934029260 631628598 /nfs/dbraw/zinc/62/85/98/631628598.db2.gz YCVFVPBQPQIXAV-ZDUSSCGKSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2CO)c1 ZINC000934031246 631631460 /nfs/dbraw/zinc/63/14/60/631631460.db2.gz PJJNUWOZVDJWID-DGCLKSJQSA-N 1 2 248.326 1.389 20 0 BDADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]2CO)c1 ZINC000934031246 631631464 /nfs/dbraw/zinc/63/14/64/631631464.db2.gz PJJNUWOZVDJWID-DGCLKSJQSA-N 1 2 248.326 1.389 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)[C@@H]2CC[C@H]2OC)[nH]1 ZINC000934110273 631683819 /nfs/dbraw/zinc/68/38/19/631683819.db2.gz XJZAEUIICDHYIB-IVZWLZJFSA-N 1 2 238.335 1.537 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)[C@@H]2CC[C@H]2OC)[nH]1 ZINC000934110273 631683822 /nfs/dbraw/zinc/68/38/22/631683822.db2.gz XJZAEUIICDHYIB-IVZWLZJFSA-N 1 2 238.335 1.537 20 0 BDADLO CCc1cc(N2CCC[C@@H]2CO)nc(CC)[nH+]1 ZINC000892072766 631719802 /nfs/dbraw/zinc/71/98/02/631719802.db2.gz DSDCRRNOJDTNQZ-LLVKDONJSA-N 1 2 235.331 1.563 20 0 BDADLO CO[C@H](C[NH2+]Cc1cnc[nH]1)C(F)(F)F ZINC000308966358 631770679 /nfs/dbraw/zinc/77/06/79/631770679.db2.gz VZLWUHPCEHVDGB-SSDOTTSWSA-N 1 2 223.198 1.077 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567372 631933860 /nfs/dbraw/zinc/93/38/60/631933860.db2.gz PZXDGJQTJQSHPQ-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cnccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567372 631933868 /nfs/dbraw/zinc/93/38/68/631933868.db2.gz PZXDGJQTJQSHPQ-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1F ZINC000934570261 631940007 /nfs/dbraw/zinc/94/00/07/631940007.db2.gz JCVLWOAKSAYVRQ-NWDGAFQWSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1F ZINC000934570261 631940015 /nfs/dbraw/zinc/94/00/15/631940015.db2.gz JCVLWOAKSAYVRQ-NWDGAFQWSA-N 1 2 227.254 1.730 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934580168 631949552 /nfs/dbraw/zinc/94/95/52/631949552.db2.gz ITEFLMZUVWHBDS-JLLWLGSASA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934580168 631949557 /nfs/dbraw/zinc/94/95/57/631949557.db2.gz ITEFLMZUVWHBDS-JLLWLGSASA-N 1 2 224.279 1.547 20 0 BDADLO CC[NH2+]Cc1noc(CCc2ccco2)n1 ZINC000051860788 631971255 /nfs/dbraw/zinc/97/12/55/631971255.db2.gz BKSCLJWALWRGNB-UHFFFAOYSA-N 1 2 221.260 1.557 20 0 BDADLO C/C=C/C=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000309283323 631993906 /nfs/dbraw/zinc/99/39/06/631993906.db2.gz NXPCRMOQEAWCHC-MQQKCMAXSA-N 1 2 218.256 1.839 20 0 BDADLO CC1(OCC(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000927777935 635746126 /nfs/dbraw/zinc/74/61/26/635746126.db2.gz ZUZZLBHBWKUVDM-UHFFFAOYSA-N 1 2 249.314 1.239 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CC[C@H](C)O ZINC000934820470 632091192 /nfs/dbraw/zinc/09/11/92/632091192.db2.gz QHESKZIGAQUWQJ-VIFPVBQESA-N 1 2 217.309 1.077 20 0 BDADLO Cc1cnnc(N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000235155055 632103026 /nfs/dbraw/zinc/10/30/26/632103026.db2.gz ZQAVLTMGBHAKKT-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO CS[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777457 635744181 /nfs/dbraw/zinc/74/41/81/635744181.db2.gz AGWSGCVASAXDSW-SSDOTTSWSA-N 1 2 225.317 1.032 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000178961996 632430883 /nfs/dbraw/zinc/43/08/83/632430883.db2.gz ZGWZCDNFEDHFKD-SNVBAGLBSA-N 1 2 243.738 1.913 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000178961996 632430886 /nfs/dbraw/zinc/43/08/86/632430886.db2.gz ZGWZCDNFEDHFKD-SNVBAGLBSA-N 1 2 243.738 1.913 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+][C@H](C)COC ZINC000309526405 632469545 /nfs/dbraw/zinc/46/95/45/632469545.db2.gz BFXRXMBONQDLOG-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ncc[nH]1 ZINC000235216121 632541554 /nfs/dbraw/zinc/54/15/54/632541554.db2.gz FJFHKBFPTBAXMR-RKDXNWHRSA-N 1 2 219.292 1.555 20 0 BDADLO CC[S@@](=O)CC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309957161 632686747 /nfs/dbraw/zinc/68/67/47/632686747.db2.gz IYZZHBWXLITOOT-MGPLVRAMSA-N 1 2 241.360 1.145 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(F)cc1 ZINC000310173940 632705251 /nfs/dbraw/zinc/70/52/51/632705251.db2.gz UTYIXZWEMUXXIW-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2COC[C@@H]2C)c1 ZINC000926660526 632786957 /nfs/dbraw/zinc/78/69/57/632786957.db2.gz JQLBYGVRNGPCOU-GXSJLCMTSA-N 1 2 222.288 1.675 20 0 BDADLO O=c1sc2c(n1C[NH+]1CCCC1)CCCC2 ZINC000066075091 632833655 /nfs/dbraw/zinc/83/36/55/632833655.db2.gz CUHOVAIBCOXBRE-UHFFFAOYSA-N 1 2 238.356 1.842 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2cnn(C)n2)c1 ZINC000924563605 632874670 /nfs/dbraw/zinc/87/46/70/632874670.db2.gz HKRYAZWFXOCFKO-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2ncc[nH]2)[nH]n1 ZINC000309466388 633108949 /nfs/dbraw/zinc/10/89/49/633108949.db2.gz PMIMFRRNJQDIBE-MRVPVSSYSA-N 1 2 219.292 1.546 20 0 BDADLO C[C@@H]1OC[C@H]([N@@H+]2CCO[C@@H](C(F)F)C2)[C@@H]1C ZINC000926820976 633159914 /nfs/dbraw/zinc/15/99/14/633159914.db2.gz FPWFQBLGIASAIE-XFWSIPNHSA-N 1 2 235.274 1.376 20 0 BDADLO C[C@@H]1OC[C@H]([N@H+]2CCO[C@@H](C(F)F)C2)[C@@H]1C ZINC000926820976 633159917 /nfs/dbraw/zinc/15/99/17/633159917.db2.gz FPWFQBLGIASAIE-XFWSIPNHSA-N 1 2 235.274 1.376 20 0 BDADLO CC[C@@H](CO)[NH2+]CC(F)(F)C(F)F ZINC000308206392 633212536 /nfs/dbraw/zinc/21/25/36/633212536.db2.gz IGJCFJQEUISQGO-YFKPBYRVSA-N 1 2 203.179 1.247 20 0 BDADLO COCCSCCC[NH2+][C@]1(C)CCOC1=O ZINC000309669811 633221865 /nfs/dbraw/zinc/22/18/65/633221865.db2.gz VOOQGRSPKPXUTD-LLVKDONJSA-N 1 2 247.360 1.051 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)nn1 ZINC000307313598 635985407 /nfs/dbraw/zinc/98/54/07/635985407.db2.gz GZHSBKWOUPFPCP-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)nn1 ZINC000307313598 635985408 /nfs/dbraw/zinc/98/54/08/635985408.db2.gz GZHSBKWOUPFPCP-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO Cn1c[nH+]cc1CNc1cncc(Cl)n1 ZINC000307398216 635986613 /nfs/dbraw/zinc/98/66/13/635986613.db2.gz SRIVZBOPJMQYJN-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO CN(CCCF)C(=O)CCn1cc[nH+]c1 ZINC000895287635 636130378 /nfs/dbraw/zinc/13/03/78/636130378.db2.gz YVGKYLYNXOBJEV-UHFFFAOYSA-N 1 2 213.256 1.091 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2c[nH]cn2)C1 ZINC000895439462 636143746 /nfs/dbraw/zinc/14/37/46/636143746.db2.gz BMQKWBJLVXBYII-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ncco1 ZINC000926863092 633730002 /nfs/dbraw/zinc/73/00/02/633730002.db2.gz CFIHZDGCUIBBLH-KOLCDFICSA-N 1 2 249.314 1.336 20 0 BDADLO COCc1nnc(C[NH2+]CCCCC(C)C)[nH]1 ZINC000895347088 636136597 /nfs/dbraw/zinc/13/65/97/636136597.db2.gz CCUMIPBOZKEZSQ-UHFFFAOYSA-N 1 2 240.351 1.867 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182289958 633942803 /nfs/dbraw/zinc/94/28/03/633942803.db2.gz CQUQYLUNOHBAHL-NWDGAFQWSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2COC[C@@H]2C)c(C)c[nH+]1 ZINC000930625575 633952939 /nfs/dbraw/zinc/95/29/39/633952939.db2.gz ISEUBNIPVINORV-CABZTGNLSA-N 1 2 249.314 1.277 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(CC(C)C)nc1 ZINC000895473270 636148295 /nfs/dbraw/zinc/14/82/95/636148295.db2.gz KMMYMLVWQOLJSV-UHFFFAOYSA-N 1 2 249.358 1.458 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(CC(C)C)nc1 ZINC000895473270 636148299 /nfs/dbraw/zinc/14/82/99/636148299.db2.gz KMMYMLVWQOLJSV-UHFFFAOYSA-N 1 2 249.358 1.458 20 0 BDADLO COC(=O)/C(C)=C/CNc1cccc[nH+]1 ZINC000895514005 636154576 /nfs/dbraw/zinc/15/45/76/636154576.db2.gz OCMWUIBPMBIZAS-RMKNXTFCSA-N 1 2 206.245 1.613 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)s1 ZINC000930814876 634112098 /nfs/dbraw/zinc/11/20/98/634112098.db2.gz CMMOAUHHAVEDRI-BDAKNGLRSA-N 1 2 225.317 1.149 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)s1 ZINC000930814876 634112101 /nfs/dbraw/zinc/11/21/01/634112101.db2.gz CMMOAUHHAVEDRI-BDAKNGLRSA-N 1 2 225.317 1.149 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000930864191 634142674 /nfs/dbraw/zinc/14/26/74/634142674.db2.gz LPQWNFSGFGIPCB-XHNCKOQMSA-N 1 2 225.242 1.735 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000930864191 634142682 /nfs/dbraw/zinc/14/26/82/634142682.db2.gz LPQWNFSGFGIPCB-XHNCKOQMSA-N 1 2 225.242 1.735 20 0 BDADLO O=C(C1CCCC1)N1CCC[N@@H+](CCF)CC1 ZINC000980603384 635241017 /nfs/dbraw/zinc/24/10/17/635241017.db2.gz VGEYCLYLLAWYBL-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO O=C(C1CCCC1)N1CCC[N@H+](CCF)CC1 ZINC000980603384 635241024 /nfs/dbraw/zinc/24/10/24/635241024.db2.gz VGEYCLYLLAWYBL-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO CCc1cc(N(C)[C@H](C)CCO)nc(CC)[nH+]1 ZINC000894406865 635892820 /nfs/dbraw/zinc/89/28/20/635892820.db2.gz QYOAFWFVOVIGJR-SNVBAGLBSA-N 1 2 237.347 1.809 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000895907320 636182225 /nfs/dbraw/zinc/18/22/25/636182225.db2.gz BOFXRBZBXBGLHU-PSASIEDQSA-N 1 2 208.261 1.021 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)sn1 ZINC000896825310 636222547 /nfs/dbraw/zinc/22/25/47/636222547.db2.gz HTLMDLNDGKKRJO-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)sn1 ZINC000896825310 636222567 /nfs/dbraw/zinc/22/25/67/636222567.db2.gz HTLMDLNDGKKRJO-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccncc2C)[nH+]c1C ZINC000896910805 636253345 /nfs/dbraw/zinc/25/33/45/636253345.db2.gz YMYFDISVAUSSGG-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1cc(N2CC[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000897120590 636270219 /nfs/dbraw/zinc/27/02/19/636270219.db2.gz VWHIXSCBJFCBMD-JTQLQIEISA-N 1 2 219.288 1.233 20 0 BDADLO C[C@H]1COC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000928906249 636488714 /nfs/dbraw/zinc/48/87/14/636488714.db2.gz QNSCOLYDZXZCBH-VHSXEESVSA-N 1 2 245.282 1.099 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889612671 636538325 /nfs/dbraw/zinc/53/83/25/636538325.db2.gz QKGIYWDOJVRUAE-GRYCIOLGSA-N 1 2 245.326 1.798 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCOC(C)(C)C1 ZINC000929119104 636810761 /nfs/dbraw/zinc/81/07/61/636810761.db2.gz YIFLPYHPWDJBIP-JXMROGBWSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCOC(C)(C)C1 ZINC000929119104 636810763 /nfs/dbraw/zinc/81/07/63/636810763.db2.gz YIFLPYHPWDJBIP-JXMROGBWSA-N 1 2 227.304 1.217 20 0 BDADLO Cc1noc(C2([NH2+]C[C@H]3CCC=CO3)CC2)n1 ZINC000897897622 636844740 /nfs/dbraw/zinc/84/47/40/636844740.db2.gz CNMALHIKBXCOJR-SNVBAGLBSA-N 1 2 235.287 1.649 20 0 BDADLO Cc1noc(C2([NH2+]CC3=CCCOC3)CC2)n1 ZINC000897897776 636845902 /nfs/dbraw/zinc/84/59/02/636845902.db2.gz KDUILGRETBINDN-UHFFFAOYSA-N 1 2 235.287 1.303 20 0 BDADLO c1[nH]cc([C@H]2C[C@@H]2c2nc([C@H]3CCCO3)no2)[nH+]1 ZINC000923921364 637001408 /nfs/dbraw/zinc/00/14/08/637001408.db2.gz BKHROBPHNADKJK-OYNCUSHFSA-N 1 2 246.270 1.915 20 0 BDADLO CC[C@H](C)c1noc([C@@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923808440 637032446 /nfs/dbraw/zinc/03/24/46/637032446.db2.gz MWBZTNYVEJNUKL-AEJSXWLSSA-N 1 2 239.319 1.975 20 0 BDADLO CC[C@H](C)c1noc([C@@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923808440 637032452 /nfs/dbraw/zinc/03/24/52/637032452.db2.gz MWBZTNYVEJNUKL-AEJSXWLSSA-N 1 2 239.319 1.975 20 0 BDADLO CCN(Cc1ccncc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900471118 637188816 /nfs/dbraw/zinc/18/88/16/637188816.db2.gz HGKOGWSQOBHRLU-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO C[C@@H]1CCC[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900826201 637192197 /nfs/dbraw/zinc/19/21/97/637192197.db2.gz ALAKXQWGQXFGPH-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO CCC/C=C\[C@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900917551 637205098 /nfs/dbraw/zinc/20/50/98/637205098.db2.gz CZDKQFASLDWFFR-GZTOBOFZSA-N 1 2 237.303 1.052 20 0 BDADLO Cc1cccc2c1N(C(=O)Cc1c[nH]c[nH+]1)CC2 ZINC000900948546 637210418 /nfs/dbraw/zinc/21/04/18/637210418.db2.gz CGEXUNMNYFOVGV-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO O=C([O-])c1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000042417104 637238918 /nfs/dbraw/zinc/23/89/18/637238918.db2.gz PUFKMZBYVJRDAC-UHFFFAOYSA-N 1 2 234.299 1.180 20 0 BDADLO O=C([O-])c1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000042417104 637238923 /nfs/dbraw/zinc/23/89/23/637238923.db2.gz PUFKMZBYVJRDAC-UHFFFAOYSA-N 1 2 234.299 1.180 20 0 BDADLO CCc1c(C)on(Cc2ccc(N)[nH+]c2)c1=O ZINC000902579390 637309750 /nfs/dbraw/zinc/30/97/50/637309750.db2.gz KSQYRHMWYUVAPJ-UHFFFAOYSA-N 1 2 233.271 1.338 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)c2cccc(C)c2)no1 ZINC000905120413 637626138 /nfs/dbraw/zinc/62/61/38/637626138.db2.gz AJJJGPQUMQEERG-GFCCVEGCSA-N 1 2 247.298 1.510 20 0 BDADLO CC[C@@](O)(C[NH2+]Cc1ccon1)C(F)(F)F ZINC000905146134 637654377 /nfs/dbraw/zinc/65/43/77/637654377.db2.gz GJPLEZWJOFKTMK-MRVPVSSYSA-N 1 2 238.209 1.468 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905386062 637785771 /nfs/dbraw/zinc/78/57/71/637785771.db2.gz QYKLUISAABJDMY-SECBINFHSA-N 1 2 237.290 1.287 20 0 BDADLO CC[C@](O)(C[NH2+]Cc1ncccn1)C(F)(F)F ZINC000905371817 637791741 /nfs/dbraw/zinc/79/17/41/637791741.db2.gz LBVGPMARSAZVQW-VIFPVBQESA-N 1 2 249.236 1.270 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCSC2=O)CCO1 ZINC000905738378 637903906 /nfs/dbraw/zinc/90/39/06/637903906.db2.gz KTZMJSGSKFCBOD-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCSC2=O)CCO1 ZINC000905738378 637903911 /nfs/dbraw/zinc/90/39/11/637903911.db2.gz KTZMJSGSKFCBOD-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOCCF)C(=O)OC ZINC000905775811 637906756 /nfs/dbraw/zinc/90/67/56/637906756.db2.gz YPJDGWJHPOKKJY-UWVGGRQHSA-N 1 2 235.299 1.150 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCOCCF)C(=O)OC ZINC000905775810 637907098 /nfs/dbraw/zinc/90/70/98/637907098.db2.gz YPJDGWJHPOKKJY-NXEZZACHSA-N 1 2 235.299 1.150 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000905774537 637928574 /nfs/dbraw/zinc/92/85/74/637928574.db2.gz PUFQYPNLUGMHOD-XWLWVQCSSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@H]1CC[N@@H+]1CC[S@](=O)C(F)(F)F ZINC000905975212 637991685 /nfs/dbraw/zinc/99/16/85/637991685.db2.gz PQMBVLAWODRFKV-UANNBLPKSA-N 1 2 215.240 1.349 20 0 BDADLO C[C@@H]1CC[N@H+]1CC[S@](=O)C(F)(F)F ZINC000905975212 637991689 /nfs/dbraw/zinc/99/16/89/637991689.db2.gz PQMBVLAWODRFKV-UANNBLPKSA-N 1 2 215.240 1.349 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2cccc(C)c2)C1 ZINC000905948343 637995221 /nfs/dbraw/zinc/99/52/21/637995221.db2.gz DHSSBOHJGLYPNJ-CYBMUJFWSA-N 1 2 221.300 1.359 20 0 BDADLO CCC1(C)C[NH+](CC[S@](=O)C(F)(F)F)C1 ZINC000905959386 638007170 /nfs/dbraw/zinc/00/71/70/638007170.db2.gz SLQFFHRIINCABF-HNNXBMFYSA-N 1 2 243.294 1.987 20 0 BDADLO CCOCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906242620 638122391 /nfs/dbraw/zinc/12/23/91/638122391.db2.gz DTOPPUHFPSVITB-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C3CC3)nn2)CCCO1 ZINC000906265178 638128899 /nfs/dbraw/zinc/12/88/99/638128899.db2.gz XZUVNIWKALMTMR-JTQLQIEISA-N 1 2 236.319 1.224 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C3CC3)nn2)CCCO1 ZINC000906265178 638128903 /nfs/dbraw/zinc/12/89/03/638128903.db2.gz XZUVNIWKALMTMR-JTQLQIEISA-N 1 2 236.319 1.224 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000906884285 638268416 /nfs/dbraw/zinc/26/84/16/638268416.db2.gz UEIIVFYIRZIPNL-PPKCKEKNSA-N 1 2 237.303 1.005 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC(CO)C2)c(C)[nH+]1 ZINC000907338465 638348184 /nfs/dbraw/zinc/34/81/84/638348184.db2.gz ROGOBXYUOGXGSJ-UHFFFAOYSA-N 1 2 234.299 1.071 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC000907325692 638354069 /nfs/dbraw/zinc/35/40/69/638354069.db2.gz TUSVEIFTTGIIDA-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1CC2(CCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907751071 638461310 /nfs/dbraw/zinc/46/13/10/638461310.db2.gz OXTMBDRNWXYCFC-JTQLQIEISA-N 1 2 233.315 1.743 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)CNc1cccc[nH+]1 ZINC000907876224 638496284 /nfs/dbraw/zinc/49/62/84/638496284.db2.gz VSWAPXRANHPPEW-NXEZZACHSA-N 1 2 219.288 1.503 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC(C)(C)C1 ZINC000907911343 638509969 /nfs/dbraw/zinc/50/99/69/638509969.db2.gz LAAFIDZBOQDFRQ-NSHDSACASA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCCOC2)c(C)[nH+]1 ZINC000908114897 638571096 /nfs/dbraw/zinc/57/10/96/638571096.db2.gz NOBQUZOWHYHPHE-UHFFFAOYSA-N 1 2 234.299 1.827 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)CNc2cccc[nH+]2)C1 ZINC000908133979 638577793 /nfs/dbraw/zinc/57/77/93/638577793.db2.gz QYIYGULPMHHTDG-PHIMTYICSA-N 1 2 249.314 1.129 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCCCN2)c[nH+]1 ZINC000908158529 638582052 /nfs/dbraw/zinc/58/20/52/638582052.db2.gz XYFDRTWKJBTAGA-UHFFFAOYSA-N 1 2 236.319 1.054 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908191943 638598503 /nfs/dbraw/zinc/59/85/03/638598503.db2.gz NECHUFQRLAADHP-SECBINFHSA-N 1 2 207.277 1.257 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000908286008 638632743 /nfs/dbraw/zinc/63/27/43/638632743.db2.gz YLOGTISIGDCEKK-CYBMUJFWSA-N 1 2 245.326 1.743 20 0 BDADLO Cc1ccoc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908350508 638662138 /nfs/dbraw/zinc/66/21/38/638662138.db2.gz BXSUQDIKTDOOKY-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO COC1(CCNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000908417206 638702508 /nfs/dbraw/zinc/70/25/08/638702508.db2.gz GVUSLDBDLPEMOF-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[NH+](C)[C@H](C(=O)NC1CC(=O)C1)c1ccccc1 ZINC000908471232 638733544 /nfs/dbraw/zinc/73/35/44/638733544.db2.gz PQRYCWKBIQELRG-ZDUSSCGKSA-N 1 2 246.310 1.137 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@H]1C1CC1 ZINC000908558746 639009544 /nfs/dbraw/zinc/00/95/44/639009544.db2.gz YERUJDYYPHCRJJ-NSHDSACASA-N 1 2 231.299 1.504 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757840 639061688 /nfs/dbraw/zinc/06/16/88/639061688.db2.gz CYFNOEKEFSMSEN-VKWJFSHESA-N 1 2 225.679 1.067 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000908937965 639097152 /nfs/dbraw/zinc/09/71/52/639097152.db2.gz NNQWYSHFSIDOIL-MNOVXSKESA-N 1 2 233.315 1.656 20 0 BDADLO Cc1occc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000924827806 639300757 /nfs/dbraw/zinc/30/07/57/639300757.db2.gz WBVSFVKFYZVPBB-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC=CC1 ZINC000910005673 639319685 /nfs/dbraw/zinc/31/96/85/639319685.db2.gz WECBPLLSWGWBJT-UHFFFAOYSA-N 1 2 205.261 1.062 20 0 BDADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)C=CCC1 ZINC000930221761 639641062 /nfs/dbraw/zinc/64/10/62/639641062.db2.gz LVOXHSXJTDSVBN-GFCCVEGCSA-N 1 2 219.288 1.356 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC2CCC1CC2 ZINC000911498086 639655544 /nfs/dbraw/zinc/65/55/44/639655544.db2.gz PCIKBIXVXLOROE-MCIGGMRASA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC2(CCC2)O1 ZINC000911600496 639673292 /nfs/dbraw/zinc/67/32/92/639673292.db2.gz DOAUTWUZJYZRSX-SNVBAGLBSA-N 1 2 249.314 1.122 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930308355 639696004 /nfs/dbraw/zinc/69/60/04/639696004.db2.gz XUHLXCXNPMRSIC-OBJOEFQTSA-N 1 2 246.310 1.201 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930308355 639696010 /nfs/dbraw/zinc/69/60/10/639696010.db2.gz XUHLXCXNPMRSIC-OBJOEFQTSA-N 1 2 246.310 1.201 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nncs2)[C@@H](C)C1 ZINC000930322322 639702733 /nfs/dbraw/zinc/70/27/33/639702733.db2.gz IVAOKVIDKJBYRZ-IUCAKERBSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nncs2)[C@@H](C)C1 ZINC000930322322 639702740 /nfs/dbraw/zinc/70/27/40/639702740.db2.gz IVAOKVIDKJBYRZ-IUCAKERBSA-N 1 2 227.333 1.537 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000930344620 639715311 /nfs/dbraw/zinc/71/53/11/639715311.db2.gz ZBJTVPKNUCYSMM-RZCNENHTSA-N 1 2 235.274 1.545 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000930344620 639715318 /nfs/dbraw/zinc/71/53/18/639715318.db2.gz ZBJTVPKNUCYSMM-RZCNENHTSA-N 1 2 235.274 1.545 20 0 BDADLO c1cc(CC[N@@H+]2CCOCC23CC3)sn1 ZINC000930360954 639728371 /nfs/dbraw/zinc/72/83/71/639728371.db2.gz SRFDFQFVTHNGPD-UHFFFAOYSA-N 1 2 224.329 1.550 20 0 BDADLO c1cc(CC[N@H+]2CCOCC23CC3)sn1 ZINC000930360954 639728388 /nfs/dbraw/zinc/72/83/88/639728388.db2.gz SRFDFQFVTHNGPD-UHFFFAOYSA-N 1 2 224.329 1.550 20 0 BDADLO CC(C)[N@H+](Cc1cnn(CCF)c1)C1COC1 ZINC000930595515 639815533 /nfs/dbraw/zinc/81/55/33/639815533.db2.gz QZBHSXANQJQMOP-UHFFFAOYSA-N 1 2 241.310 1.462 20 0 BDADLO CC(C)[N@@H+](Cc1cnn(CCF)c1)C1COC1 ZINC000930595515 639815534 /nfs/dbraw/zinc/81/55/34/639815534.db2.gz QZBHSXANQJQMOP-UHFFFAOYSA-N 1 2 241.310 1.462 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000930705592 639871542 /nfs/dbraw/zinc/87/15/42/639871542.db2.gz VWSVCQQSJODGQQ-WISYIIOYSA-N 1 2 243.347 1.731 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CC2(CCC2)C1 ZINC000911921375 639879444 /nfs/dbraw/zinc/87/94/44/639879444.db2.gz NXKGODLEWXLISJ-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO COC/C(C)=C\C[NH2+][C@@H](C)c1csnn1 ZINC000930726780 639880063 /nfs/dbraw/zinc/88/00/63/639880063.db2.gz PODVVKOHNUGYKZ-OTOXVQDCSA-N 1 2 227.333 1.781 20 0 BDADLO C[N@H+](CCCC(C)(F)F)Cc1n[nH]c(=O)o1 ZINC000930757935 639901000 /nfs/dbraw/zinc/90/10/00/639901000.db2.gz DEDVVGYYEDQCKW-UHFFFAOYSA-N 1 2 235.234 1.642 20 0 BDADLO C[N@@H+](CCCC(C)(F)F)Cc1n[nH]c(=O)o1 ZINC000930757935 639901006 /nfs/dbraw/zinc/90/10/06/639901006.db2.gz DEDVVGYYEDQCKW-UHFFFAOYSA-N 1 2 235.234 1.642 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1c(F)cncc1F ZINC000930862052 639954981 /nfs/dbraw/zinc/95/49/81/639954981.db2.gz HJTNVYPSMXWSHY-MRVPVSSYSA-N 1 2 230.258 1.563 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1c(F)cncc1F ZINC000930862052 639954987 /nfs/dbraw/zinc/95/49/87/639954987.db2.gz HJTNVYPSMXWSHY-MRVPVSSYSA-N 1 2 230.258 1.563 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000930964456 639997270 /nfs/dbraw/zinc/99/72/70/639997270.db2.gz OHBIHAMHINVRBC-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000930964456 639997276 /nfs/dbraw/zinc/99/72/76/639997276.db2.gz OHBIHAMHINVRBC-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO Cc1nnc(CC[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)o1 ZINC000930972476 640007943 /nfs/dbraw/zinc/00/79/43/640007943.db2.gz IZGGKXCEYILGEY-RKDXNWHRSA-N 1 2 237.303 1.077 20 0 BDADLO COCC1(N(C)C(=O)CNc2cccc[nH+]2)CC1 ZINC000912305353 640024114 /nfs/dbraw/zinc/02/41/14/640024114.db2.gz YRYPCTLEGVAHIX-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCc2nccnc2C1 ZINC000931065783 640053580 /nfs/dbraw/zinc/05/35/80/640053580.db2.gz RADWRPOHAAQHNQ-QDEBKDIKSA-N 1 2 233.315 1.427 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCc2nccnc2C1 ZINC000931065783 640053585 /nfs/dbraw/zinc/05/35/85/640053585.db2.gz RADWRPOHAAQHNQ-QDEBKDIKSA-N 1 2 233.315 1.427 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]23CCOC3)n[nH]1 ZINC000931144616 640078748 /nfs/dbraw/zinc/07/87/48/640078748.db2.gz YFIVXJMQIKAJNP-NTZNESFSSA-N 1 2 248.330 1.368 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@]23CCOC3)n[nH]1 ZINC000931144616 640078751 /nfs/dbraw/zinc/07/87/51/640078751.db2.gz YFIVXJMQIKAJNP-NTZNESFSSA-N 1 2 248.330 1.368 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000931179857 640090954 /nfs/dbraw/zinc/09/09/54/640090954.db2.gz ONCJDPKARXUNIB-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000931179857 640090958 /nfs/dbraw/zinc/09/09/58/640090958.db2.gz ONCJDPKARXUNIB-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO COc1c(C)[nH]cc(C[N@H+](C)CCF)c1=O ZINC000931326194 640154788 /nfs/dbraw/zinc/15/47/88/640154788.db2.gz XANGYUWDBJPBAE-UHFFFAOYSA-N 1 2 228.267 1.093 20 0 BDADLO COc1c(C)[nH]cc(C[N@@H+](C)CCF)c1=O ZINC000931326194 640154797 /nfs/dbraw/zinc/15/47/97/640154797.db2.gz XANGYUWDBJPBAE-UHFFFAOYSA-N 1 2 228.267 1.093 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]2C(F)F)C1 ZINC000931424838 640193266 /nfs/dbraw/zinc/19/32/66/640193266.db2.gz BUHPZEAFOMOASP-HLTSFMKQSA-N 1 2 205.248 1.893 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@H+]2CC[C@H]2C(F)F)C1 ZINC000931424838 640193275 /nfs/dbraw/zinc/19/32/75/640193275.db2.gz BUHPZEAFOMOASP-HLTSFMKQSA-N 1 2 205.248 1.893 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CC[C@@H]2C(F)F)CCO1 ZINC000931427751 640197022 /nfs/dbraw/zinc/19/70/22/640197022.db2.gz YXGZEVDSFUHHQR-NXEZZACHSA-N 1 2 234.290 1.047 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CC[C@@H]2C(F)F)CCO1 ZINC000931427751 640197024 /nfs/dbraw/zinc/19/70/24/640197024.db2.gz YXGZEVDSFUHHQR-NXEZZACHSA-N 1 2 234.290 1.047 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)Cc2c[nH]nc21 ZINC000931460245 640216874 /nfs/dbraw/zinc/21/68/74/640216874.db2.gz VZYLBJRKHKRRMG-SECBINFHSA-N 1 2 231.303 1.263 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)Cc2c[nH]nc21 ZINC000931460245 640216881 /nfs/dbraw/zinc/21/68/81/640216881.db2.gz VZYLBJRKHKRRMG-SECBINFHSA-N 1 2 231.303 1.263 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461256 640218989 /nfs/dbraw/zinc/21/89/89/640218989.db2.gz RYEXKNACERSQDV-VHSXEESVSA-N 1 2 243.314 1.880 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461256 640218995 /nfs/dbraw/zinc/21/89/95/640218995.db2.gz RYEXKNACERSQDV-VHSXEESVSA-N 1 2 243.314 1.880 20 0 BDADLO Cc1ncc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)o1 ZINC000931465563 640226294 /nfs/dbraw/zinc/22/62/94/640226294.db2.gz HUKLETGHFAOHNT-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1ncc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)o1 ZINC000931465563 640226296 /nfs/dbraw/zinc/22/62/96/640226296.db2.gz HUKLETGHFAOHNT-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO CCN(C#N)CC[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468510 640226984 /nfs/dbraw/zinc/22/69/84/640226984.db2.gz ZROWUZSBQHCJSV-JTQLQIEISA-N 1 2 233.319 1.132 20 0 BDADLO CCN(C#N)CC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468510 640226989 /nfs/dbraw/zinc/22/69/89/640226989.db2.gz ZROWUZSBQHCJSV-JTQLQIEISA-N 1 2 233.319 1.132 20 0 BDADLO O=C(Nc1ccns1)[C@H]1CCc2[nH+]ccn2C1 ZINC000913057531 640296614 /nfs/dbraw/zinc/29/66/14/640296614.db2.gz OSQMFZWEORFEBH-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO FC[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000931686761 640315592 /nfs/dbraw/zinc/31/55/92/640315592.db2.gz MYCJCJYKKXUXDL-ZETCQYMHSA-N 1 2 201.270 1.330 20 0 BDADLO FC[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC000931686761 640315588 /nfs/dbraw/zinc/31/55/88/640315588.db2.gz MYCJCJYKKXUXDL-ZETCQYMHSA-N 1 2 201.270 1.330 20 0 BDADLO Cn1c(C[N@@H+](C)CCCF)nnc1C1CC1 ZINC000151242025 640350427 /nfs/dbraw/zinc/35/04/27/640350427.db2.gz JORGMJWDZHCIKG-UHFFFAOYSA-N 1 2 226.299 1.484 20 0 BDADLO Cn1c(C[N@H+](C)CCCF)nnc1C1CC1 ZINC000151242025 640350424 /nfs/dbraw/zinc/35/04/24/640350424.db2.gz JORGMJWDZHCIKG-UHFFFAOYSA-N 1 2 226.299 1.484 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000931773085 640367117 /nfs/dbraw/zinc/36/71/17/640367117.db2.gz NLYDOZRAXUHBFJ-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO C/C=C(/CC)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913451154 640372417 /nfs/dbraw/zinc/37/24/17/640372417.db2.gz KBCFYWSAMDLWTK-FALLNDSDSA-N 1 2 248.330 1.239 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@@H]2c2ccnn2C)c1 ZINC000932266437 640464629 /nfs/dbraw/zinc/46/46/29/640464629.db2.gz YNSWNXKKDBCUOD-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@@H]2c2ccnn2C)c1 ZINC000932266437 640464633 /nfs/dbraw/zinc/46/46/33/640464633.db2.gz YNSWNXKKDBCUOD-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932334519 640477328 /nfs/dbraw/zinc/47/73/28/640477328.db2.gz GKBJTKJDKSRTPA-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932334519 640477331 /nfs/dbraw/zinc/47/73/31/640477331.db2.gz GKBJTKJDKSRTPA-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC000932348980 640490465 /nfs/dbraw/zinc/49/04/65/640490465.db2.gz CXSMMIYVNUZNDY-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCO[C@@H](C)CC2)n1 ZINC000932348980 640490467 /nfs/dbraw/zinc/49/04/67/640490467.db2.gz CXSMMIYVNUZNDY-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@H](C)CC2)oc1C ZINC000932346873 640490636 /nfs/dbraw/zinc/49/06/36/640490636.db2.gz YTCLUEHJJCWIGL-SECBINFHSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@H](C)CC2)oc1C ZINC000932346873 640490641 /nfs/dbraw/zinc/49/06/41/640490641.db2.gz YTCLUEHJJCWIGL-SECBINFHSA-N 1 2 224.304 1.902 20 0 BDADLO CCCc1nc(C[NH2+][C@H](C)C(C)(C)OC)no1 ZINC000932370790 640500384 /nfs/dbraw/zinc/50/03/84/640500384.db2.gz VCDKHZFSJQMBGN-SECBINFHSA-N 1 2 241.335 1.925 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)C1CCCC1 ZINC001030047842 640543938 /nfs/dbraw/zinc/54/39/38/640543938.db2.gz VMSFOSOMTLGACI-UHFFFAOYSA-N 1 2 228.311 1.337 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)o2)C1 ZINC001030080893 640582995 /nfs/dbraw/zinc/58/29/95/640582995.db2.gz LBSMCXAMLZWUIZ-UHFFFAOYSA-N 1 2 208.261 1.022 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccn(C)n2)c1F ZINC000165889685 640596924 /nfs/dbraw/zinc/59/69/24/640596924.db2.gz WMYRFNMDQZLERD-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO CC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000078429743 640673766 /nfs/dbraw/zinc/67/37/66/640673766.db2.gz MJGNGJJRYTZSFQ-UHFFFAOYSA-N 1 2 216.288 1.719 20 0 BDADLO CC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000078429743 640673769 /nfs/dbraw/zinc/67/37/69/640673769.db2.gz MJGNGJJRYTZSFQ-UHFFFAOYSA-N 1 2 216.288 1.719 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001030201946 640680862 /nfs/dbraw/zinc/68/08/62/640680862.db2.gz SBWNJQWJZYUPFC-GDNZZTSVSA-N 1 2 240.322 1.193 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cc(C)c(C)o2)C1 ZINC001030216885 640690873 /nfs/dbraw/zinc/69/08/73/640690873.db2.gz NFEHVRSUUZDULR-UHFFFAOYSA-N 1 2 236.315 1.720 20 0 BDADLO CCn1cnc2c1CC[N@H+](Cc1ccn(C)n1)C2 ZINC000933257383 640692544 /nfs/dbraw/zinc/69/25/44/640692544.db2.gz WCRGPSPTLIUPLJ-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1cnc2c1CC[N@@H+](Cc1ccn(C)n1)C2 ZINC000933257383 640692549 /nfs/dbraw/zinc/69/25/49/640692549.db2.gz WCRGPSPTLIUPLJ-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ccn(C)n1)C2 ZINC000933257383 640692557 /nfs/dbraw/zinc/69/25/57/640692557.db2.gz WCRGPSPTLIUPLJ-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2cnn[nH]2)cc1C ZINC000933484110 640721890 /nfs/dbraw/zinc/72/18/90/640721890.db2.gz ZETDRVHDKXZDIW-SNVBAGLBSA-N 1 2 246.314 1.973 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001030342330 640774065 /nfs/dbraw/zinc/77/40/65/640774065.db2.gz GLRDGNZGDNOYHC-NTZNESFSSA-N 1 2 234.343 1.409 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000226592504 640778369 /nfs/dbraw/zinc/77/83/69/640778369.db2.gz YCABWPRHJHEJQD-SDDRHHMPSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCOC12CCCCC2 ZINC000933875083 640778744 /nfs/dbraw/zinc/77/87/44/640778744.db2.gz MQCHIUYMJMOJOP-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]2C2OCCO2)sn1 ZINC000933897665 640782950 /nfs/dbraw/zinc/78/29/50/640782950.db2.gz XPLVYKHNCWNXRN-JTQLQIEISA-N 1 2 240.328 1.480 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]2C2OCCO2)sn1 ZINC000933897665 640782956 /nfs/dbraw/zinc/78/29/56/640782956.db2.gz XPLVYKHNCWNXRN-JTQLQIEISA-N 1 2 240.328 1.480 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2C2OCCO2)cn1 ZINC000933899431 640784599 /nfs/dbraw/zinc/78/45/99/640784599.db2.gz NARILVMOWGMNPC-GFCCVEGCSA-N 1 2 249.314 1.122 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@H]2C2OCCO2)cn1 ZINC000933899431 640784606 /nfs/dbraw/zinc/78/46/06/640784606.db2.gz NARILVMOWGMNPC-GFCCVEGCSA-N 1 2 249.314 1.122 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC1(C)CC1 ZINC000933991035 640799960 /nfs/dbraw/zinc/79/99/60/640799960.db2.gz WQSIMDNLFDFVHN-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO CN(C(=O)C[N@H+](Cc1ccoc1)C1CC1)C1CC1 ZINC000934001675 640802285 /nfs/dbraw/zinc/80/22/85/640802285.db2.gz HCTIVJKRPYLGTC-UHFFFAOYSA-N 1 2 248.326 1.865 20 0 BDADLO CN(C(=O)C[N@@H+](Cc1ccoc1)C1CC1)C1CC1 ZINC000934001675 640802289 /nfs/dbraw/zinc/80/22/89/640802289.db2.gz HCTIVJKRPYLGTC-UHFFFAOYSA-N 1 2 248.326 1.865 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)nc(C)c2)C1 ZINC001030375491 640803667 /nfs/dbraw/zinc/80/36/67/640803667.db2.gz PNJIKGATOKFOCW-UHFFFAOYSA-N 1 2 233.315 1.132 20 0 BDADLO CN(C)C(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934005176 640804544 /nfs/dbraw/zinc/80/45/44/640804544.db2.gz WJZPIBYSACYKRT-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO CN(C)C(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005176 640804546 /nfs/dbraw/zinc/80/45/46/640804546.db2.gz WJZPIBYSACYKRT-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC000059370471 640807811 /nfs/dbraw/zinc/80/78/11/640807811.db2.gz KPJRYLQMDAPVNO-NSHDSACASA-N 1 2 224.210 1.895 20 0 BDADLO CCOC(C[N@@H+]1CCC(=O)[C@H](C)C1)OCC ZINC000229505312 640961463 /nfs/dbraw/zinc/96/14/63/640961463.db2.gz WZGVYDBLOUIGRV-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(C[N@H+]1CCC(=O)[C@H](C)C1)OCC ZINC000229505312 640961468 /nfs/dbraw/zinc/96/14/68/640961468.db2.gz WZGVYDBLOUIGRV-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(C[N@@H+]1CCC(=O)[C@@H](C)C1)OCC ZINC000229505295 640961607 /nfs/dbraw/zinc/96/16/07/640961607.db2.gz WZGVYDBLOUIGRV-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(C[N@H+]1CCC(=O)[C@@H](C)C1)OCC ZINC000229505295 640961610 /nfs/dbraw/zinc/96/16/10/640961610.db2.gz WZGVYDBLOUIGRV-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CNc1cc(N[C@@H](C)CC[S@](C)=O)[nH+]cn1 ZINC000230115592 641027649 /nfs/dbraw/zinc/02/76/49/641027649.db2.gz AITZKPITMIKLHC-PWJLMRLQSA-N 1 2 242.348 1.087 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(Cl)cn2C)C1 ZINC001030645345 641047654 /nfs/dbraw/zinc/04/76/54/641047654.db2.gz YPDAQLDYGBNZPX-UHFFFAOYSA-N 1 2 241.722 1.112 20 0 BDADLO CNc1cc(N(C)C[C@H]2CCCO2)nc[nH+]1 ZINC000087821747 641056301 /nfs/dbraw/zinc/05/63/01/641056301.db2.gz ZKHLERLTQIHBGB-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N(C)C[C@H]2CCCO2)[nH+]cn1 ZINC000087821747 641056302 /nfs/dbraw/zinc/05/63/02/641056302.db2.gz ZKHLERLTQIHBGB-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N2CCCSCC2)nc[nH+]1 ZINC000087821339 641056922 /nfs/dbraw/zinc/05/69/22/641056922.db2.gz RLBPGQUSIOCLFE-UHFFFAOYSA-N 1 2 224.333 1.462 20 0 BDADLO CNc1cc(N2CCCSCC2)[nH+]cn1 ZINC000087821339 641056927 /nfs/dbraw/zinc/05/69/27/641056927.db2.gz RLBPGQUSIOCLFE-UHFFFAOYSA-N 1 2 224.333 1.462 20 0 BDADLO CNc1cc(N[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000087826954 641059511 /nfs/dbraw/zinc/05/95/11/641059511.db2.gz BIHXBHREDCVYGX-IUCAKERBSA-N 1 2 222.292 1.234 20 0 BDADLO CNc1cc(N[C@H]2CCCC[C@@H]2O)[nH+]cn1 ZINC000087826954 641059514 /nfs/dbraw/zinc/05/95/14/641059514.db2.gz BIHXBHREDCVYGX-IUCAKERBSA-N 1 2 222.292 1.234 20 0 BDADLO CNc1cc(N2CCSC[C@H]2C)nc[nH+]1 ZINC000087830869 641063199 /nfs/dbraw/zinc/06/31/99/641063199.db2.gz RRHJXWNVYHRLPM-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO CNc1cc(N2CCSC[C@H]2C)[nH+]cn1 ZINC000087830869 641063203 /nfs/dbraw/zinc/06/32/03/641063203.db2.gz RRHJXWNVYHRLPM-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934110315 641075120 /nfs/dbraw/zinc/07/51/20/641075120.db2.gz YLMSXNUXSKEIEL-NWDGAFQWSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934110315 641075122 /nfs/dbraw/zinc/07/51/22/641075122.db2.gz YLMSXNUXSKEIEL-NWDGAFQWSA-N 1 2 238.335 1.216 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934475940 641166033 /nfs/dbraw/zinc/16/60/33/641166033.db2.gz RQWWQTMYYLUFEJ-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934475940 641166037 /nfs/dbraw/zinc/16/60/37/641166037.db2.gz RQWWQTMYYLUFEJ-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cnc(C[NH2+]C[C@H](O)c2ccco2)o1 ZINC000231650726 641191423 /nfs/dbraw/zinc/19/14/23/641191423.db2.gz AEKLHWGKMMVERD-VIFPVBQESA-N 1 2 222.244 1.399 20 0 BDADLO CCc1cncc(C(=O)NC2C[NH+](CC)C2)c1 ZINC001030682591 641198678 /nfs/dbraw/zinc/19/86/78/641198678.db2.gz ZPGCKJFKYJIEMZ-UHFFFAOYSA-N 1 2 233.315 1.078 20 0 BDADLO CCCC[NH2+][C@](C)(Cn1cccn1)C(=O)OC ZINC000934711442 641253392 /nfs/dbraw/zinc/25/33/92/641253392.db2.gz LSOJDXOFJVJLEK-GFCCVEGCSA-N 1 2 239.319 1.205 20 0 BDADLO O=C(NCC1(CO)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000934710955 641253829 /nfs/dbraw/zinc/25/38/29/641253829.db2.gz WUGQRBSWRWOEDC-UHFFFAOYSA-N 1 2 245.282 1.065 20 0 BDADLO CCCC[NH2+][C@@](C)(Cn1cccn1)C(=O)OC ZINC000934711444 641254208 /nfs/dbraw/zinc/25/42/08/641254208.db2.gz LSOJDXOFJVJLEK-LBPRGKRZSA-N 1 2 239.319 1.205 20 0 BDADLO CC1(C(=O)NC2C[NH+](CCCF)C2)CCCC1 ZINC001030757327 641337138 /nfs/dbraw/zinc/33/71/38/641337138.db2.gz MHIFHUBWQAQIBP-UHFFFAOYSA-N 1 2 242.338 1.727 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC000935189977 641360468 /nfs/dbraw/zinc/36/04/68/641360468.db2.gz QLKGPLKCRPHZAV-PRHODGIISA-N 1 2 245.282 1.016 20 0 BDADLO COc1nnc(C[N@@H+]2C[C@H](C)C[C@@H]2C)s1 ZINC000929698006 641405119 /nfs/dbraw/zinc/40/51/19/641405119.db2.gz YIGOZDMLHNXVQS-SFYZADRCSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2C[C@H](C)C[C@@H]2C)s1 ZINC000929698006 641405123 /nfs/dbraw/zinc/40/51/23/641405123.db2.gz YIGOZDMLHNXVQS-SFYZADRCSA-N 1 2 227.333 1.777 20 0 BDADLO CC(C)C[C@@H](C(=O)Nc1cn[nH]n1)n1cc[nH+]c1 ZINC000935595980 641439591 /nfs/dbraw/zinc/43/95/91/641439591.db2.gz ZFALCHQRYOUGGP-VIFPVBQESA-N 1 2 248.290 1.227 20 0 BDADLO COCC(C)(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000913795729 641478691 /nfs/dbraw/zinc/47/86/91/641478691.db2.gz HDFRRCGVLMOHLK-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CONC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030687363 641515188 /nfs/dbraw/zinc/51/51/88/641515188.db2.gz GPBCVZKNHRLFQL-UHFFFAOYSA-N 1 2 217.228 1.164 20 0 BDADLO CCOC[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC000929777438 641531853 /nfs/dbraw/zinc/53/18/53/641531853.db2.gz COZOSCSWDSLQEM-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CCOC[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000929777438 641531860 /nfs/dbraw/zinc/53/18/60/641531860.db2.gz COZOSCSWDSLQEM-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO Nc1nc(NC2CC2)[nH+]c2ccccc12 ZINC000041146496 641542366 /nfs/dbraw/zinc/54/23/66/641542366.db2.gz CNTUYNSCCKYVOB-UHFFFAOYSA-N 1 2 200.245 1.786 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCOC2)cc[nH+]1 ZINC000493030152 641568003 /nfs/dbraw/zinc/56/80/03/641568003.db2.gz WWTKGFWJMBDROP-VUDBWIFFSA-N 1 2 232.283 1.343 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ncsc1C1CC1 ZINC000914120302 641575052 /nfs/dbraw/zinc/57/50/52/641575052.db2.gz APCBGHZBPWQYFZ-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@@H+]1CC(OC)OC ZINC000152457539 641579911 /nfs/dbraw/zinc/57/99/11/641579911.db2.gz LISMNRRQIHZKLG-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@H+]1CC(OC)OC ZINC000152457539 641579915 /nfs/dbraw/zinc/57/99/15/641579915.db2.gz LISMNRRQIHZKLG-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCOC2)c(N(C)C)[nH+]1 ZINC000152602826 641621765 /nfs/dbraw/zinc/62/17/65/641621765.db2.gz YANQWAVGASSIAG-JTQLQIEISA-N 1 2 249.314 1.431 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C=CCC1 ZINC000914285227 641630635 /nfs/dbraw/zinc/63/06/35/641630635.db2.gz PKLSKHQUPLDWRS-SECBINFHSA-N 1 2 205.261 1.035 20 0 BDADLO COCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152761676 641642516 /nfs/dbraw/zinc/64/25/16/641642516.db2.gz KZQBAGOSVXEYQT-UHFFFAOYSA-N 1 2 237.303 1.431 20 0 BDADLO CCC[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000914362893 641646412 /nfs/dbraw/zinc/64/64/12/641646412.db2.gz JTNJMSMUMDTYEM-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CC1(C)C[N@H+](C/C=C/Cl)C[C@@H](CO)O1 ZINC000158732600 641647245 /nfs/dbraw/zinc/64/72/45/641647245.db2.gz OKGTXQKDBMUPCE-NWALNABHSA-N 1 2 219.712 1.211 20 0 BDADLO CC1(C)C[N@@H+](C/C=C/Cl)C[C@@H](CO)O1 ZINC000158732600 641647253 /nfs/dbraw/zinc/64/72/53/641647253.db2.gz OKGTXQKDBMUPCE-NWALNABHSA-N 1 2 219.712 1.211 20 0 BDADLO COCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152792980 641649567 /nfs/dbraw/zinc/64/95/67/641649567.db2.gz IGUBZCNQEPPXIL-UHFFFAOYSA-N 1 2 223.276 1.041 20 0 BDADLO CC1(C)C[C@]1(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000914376993 641652795 /nfs/dbraw/zinc/65/27/95/641652795.db2.gz NHPDFRJRVWMQCU-GFCCVEGCSA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)C[C@]1(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000914379637 641653680 /nfs/dbraw/zinc/65/36/80/641653680.db2.gz BOIGLILZGCSQMK-GFCCVEGCSA-N 1 2 221.304 1.505 20 0 BDADLO COC[C@H]([NH3+])c1nc(Cc2cccc(C)c2)no1 ZINC000159338454 641677622 /nfs/dbraw/zinc/67/76/22/641677622.db2.gz JWNVIJJJRPVACY-NSHDSACASA-N 1 2 247.298 1.615 20 0 BDADLO CCCCC[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000187880022 641728372 /nfs/dbraw/zinc/72/83/72/641728372.db2.gz GZKANBAMQVHLJP-NWDGAFQWSA-N 1 2 243.347 1.877 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000929843662 641754597 /nfs/dbraw/zinc/75/45/97/641754597.db2.gz NYMGMSKBLVCODA-ZNWQGHSCSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000929843662 641754602 /nfs/dbraw/zinc/75/46/02/641754602.db2.gz NYMGMSKBLVCODA-ZNWQGHSCSA-N 1 2 227.304 1.215 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001031170085 641766797 /nfs/dbraw/zinc/76/67/97/641766797.db2.gz KYQJAJPLZYITAU-WDEREUQCSA-N 1 2 210.321 1.099 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001031176968 641774553 /nfs/dbraw/zinc/77/45/53/641774553.db2.gz ZEIPQSYELKWUPN-QWHCGFSZSA-N 1 2 236.359 1.633 20 0 BDADLO CCN(C(=O)c1ccc(C)o1)C1C[NH+](CC)C1 ZINC000949632195 641847074 /nfs/dbraw/zinc/84/70/74/641847074.db2.gz JEACNRXAQNDDIF-UHFFFAOYSA-N 1 2 236.315 1.754 20 0 BDADLO C[N@H+](Cn1cc2[nH]cccc-2c1=O)C1CC1 ZINC000190195513 641850057 /nfs/dbraw/zinc/85/00/57/641850057.db2.gz BBSPJTZQAFIUMW-UHFFFAOYSA-N 1 2 217.272 1.089 20 0 BDADLO C[N@@H+](Cn1cc2[nH]cccc-2c1=O)C1CC1 ZINC000190195513 641850060 /nfs/dbraw/zinc/85/00/60/641850060.db2.gz BBSPJTZQAFIUMW-UHFFFAOYSA-N 1 2 217.272 1.089 20 0 BDADLO CCOCC[NH+]1CCN(CCC(=O)CC)CC1 ZINC000190219164 641852057 /nfs/dbraw/zinc/85/20/57/641852057.db2.gz HQGRLTBAUZQNMW-UHFFFAOYSA-N 1 2 242.363 1.010 20 0 BDADLO CCN(C(=O)c1ocnc1C)C1C[NH+](CC)C1 ZINC000949839929 641866957 /nfs/dbraw/zinc/86/69/57/641866957.db2.gz OIHITRNQGQFTLM-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cc(CC)on2)C1 ZINC001031275982 641870816 /nfs/dbraw/zinc/87/08/16/641870816.db2.gz AYKXZRUCQWDIFJ-UHFFFAOYSA-N 1 2 237.303 1.061 20 0 BDADLO CCn1c(C)nnc1SCc1ccc(N)[nH+]c1 ZINC000916858305 641982631 /nfs/dbraw/zinc/98/26/31/641982631.db2.gz OTFFBFACPGHKTC-UHFFFAOYSA-N 1 2 249.343 1.876 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)c(C)s2)C1 ZINC001031363900 642007955 /nfs/dbraw/zinc/00/79/55/642007955.db2.gz VUFPCLWPSFZJOM-UHFFFAOYSA-N 1 2 238.356 1.799 20 0 BDADLO CC(C)c1noc([C@@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923756996 642110030 /nfs/dbraw/zinc/11/00/30/642110030.db2.gz BUFTUKKIIBGLRY-BDAKNGLRSA-N 1 2 225.292 1.585 20 0 BDADLO CC(C)c1noc([C@@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923756996 642110037 /nfs/dbraw/zinc/11/00/37/642110037.db2.gz BUFTUKKIIBGLRY-BDAKNGLRSA-N 1 2 225.292 1.585 20 0 BDADLO CCS(=O)(=O)Cc1cc[nH+]c(N(C)C)c1 ZINC000917959666 642147707 /nfs/dbraw/zinc/14/77/07/642147707.db2.gz JIVFJWRLFWAHPU-UHFFFAOYSA-N 1 2 228.317 1.082 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(CF)cc2)C1 ZINC001031457087 642177181 /nfs/dbraw/zinc/17/71/81/642177181.db2.gz ASXSCDSZORVTJJ-UHFFFAOYSA-N 1 2 236.290 1.590 20 0 BDADLO Cc1occc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031538666 642282403 /nfs/dbraw/zinc/28/24/03/642282403.db2.gz AKZQUJKCONNXGY-UHFFFAOYSA-N 1 2 240.278 1.219 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001031601873 642363249 /nfs/dbraw/zinc/36/32/49/642363249.db2.gz RMOZKWXFQMHOFW-GDNZZTSVSA-N 1 2 240.322 1.050 20 0 BDADLO Cc1cn(Cc2cc[nH+]c(N(C)C)c2)c(=O)s1 ZINC000920325838 642474198 /nfs/dbraw/zinc/47/41/98/642474198.db2.gz VEMGNVRHEQIXCA-UHFFFAOYSA-N 1 2 249.339 1.728 20 0 BDADLO CCC/C=C\C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000920454376 642499167 /nfs/dbraw/zinc/49/91/67/642499167.db2.gz LOCVUOKHGOCOMS-FJOGCWAESA-N 1 2 240.347 1.180 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000921379857 642606376 /nfs/dbraw/zinc/60/63/76/642606376.db2.gz SJDVAHDYVSGBKV-GMXVVIOVSA-N 1 2 247.342 1.956 20 0 BDADLO C[C@@H]([NH2+]CC1(CCO)CC1)C(=O)OC(C)(C)C ZINC000097818098 642634360 /nfs/dbraw/zinc/63/43/60/642634360.db2.gz IUSQHKSBTLXZKX-SNVBAGLBSA-N 1 2 243.347 1.469 20 0 BDADLO CCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179513617 642723165 /nfs/dbraw/zinc/72/31/65/642723165.db2.gz OPDWPJNCQBQOTE-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO Cc1nc(C(=O)NCc2cc(C)[nH+]c(C)c2)no1 ZINC000421212809 642738231 /nfs/dbraw/zinc/73/82/31/642738231.db2.gz AEQSHPOHECYUDO-UHFFFAOYSA-N 1 2 246.270 1.320 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1=COCCC1 ZINC000068510156 642779535 /nfs/dbraw/zinc/77/95/35/642779535.db2.gz ZGKWXISLVFTJFZ-UHFFFAOYSA-N 1 2 235.287 1.084 20 0 BDADLO O=C(OCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181170250 642846359 /nfs/dbraw/zinc/84/63/59/642846359.db2.gz HXLKDZQRNCBQEX-UHFFFAOYSA-N 1 2 234.230 1.999 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010104164 642852485 /nfs/dbraw/zinc/85/24/85/642852485.db2.gz GHXZFZGCUYBYSG-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010104164 642852488 /nfs/dbraw/zinc/85/24/88/642852488.db2.gz GHXZFZGCUYBYSG-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO OC[C@H](CC(F)F)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353590450 642880108 /nfs/dbraw/zinc/88/01/08/642880108.db2.gz UFHGKTXWXBIZRL-IONNQARKSA-N 1 2 245.273 1.393 20 0 BDADLO CC(C)[C@@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181632216 642890678 /nfs/dbraw/zinc/89/06/78/642890678.db2.gz WLCBATYHLBQILK-VXGBXAGGSA-N 1 2 243.347 1.542 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000069890317 642927730 /nfs/dbraw/zinc/92/77/30/642927730.db2.gz ALKXVGNRHXVWAY-GARJFASQSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001016064881 642949309 /nfs/dbraw/zinc/94/93/09/642949309.db2.gz ZIGWLYOSULHKCU-VIFPVBQESA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001016064881 642949315 /nfs/dbraw/zinc/94/93/15/642949315.db2.gz ZIGWLYOSULHKCU-VIFPVBQESA-N 1 2 216.300 1.193 20 0 BDADLO O=C(c1ccc(F)nc1)N1CC[NH+](C2CC2)CC1 ZINC000070083602 642968294 /nfs/dbraw/zinc/96/82/94/642968294.db2.gz LJYOBIFPTSQNHX-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO CC(C)OCc1noc(C[NH+]2CCCC2)n1 ZINC000929212868 642994929 /nfs/dbraw/zinc/99/49/29/642994929.db2.gz ZXXSBBNECRQQRA-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO CCCCSCC(=O)N1CC[NH+](C)CC1 ZINC000070250960 643002225 /nfs/dbraw/zinc/00/22/25/643002225.db2.gz CVBJUAZVKOAGEM-UHFFFAOYSA-N 1 2 230.377 1.294 20 0 BDADLO c1csc(N2CC[NH+](Cn3cnnc3)CC2)c1 ZINC000182604199 643045025 /nfs/dbraw/zinc/04/50/25/643045025.db2.gz SGEABWCMZTWLIJ-UHFFFAOYSA-N 1 2 249.343 1.119 20 0 BDADLO CC[C@H](COC)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000070656487 643056831 /nfs/dbraw/zinc/05/68/31/643056831.db2.gz LQCQZSXQGZAGJW-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H](NC(=O)c1ccoc1)C1C[NH+](CCF)C1 ZINC000969301467 643132339 /nfs/dbraw/zinc/13/23/39/643132339.db2.gz HMCHRCZXSQYDKG-VIFPVBQESA-N 1 2 240.278 1.299 20 0 BDADLO CON(CC(C)(C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000286657872 643158488 /nfs/dbraw/zinc/15/84/88/643158488.db2.gz YCYFYEMIVAPCBM-UHFFFAOYSA-N 1 2 239.319 1.778 20 0 BDADLO CON(CC(C)(C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000286657872 643158499 /nfs/dbraw/zinc/15/84/99/643158499.db2.gz YCYFYEMIVAPCBM-UHFFFAOYSA-N 1 2 239.319 1.778 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032025849 643195114 /nfs/dbraw/zinc/19/51/14/643195114.db2.gz APRHHHDRVOMAMK-JQWIXIFHSA-N 1 2 242.338 1.440 20 0 BDADLO CCc1cnc(C[NH2+]C2(C(N)=O)CCCC2)o1 ZINC000081099981 643195838 /nfs/dbraw/zinc/19/58/38/643195838.db2.gz ZHXKXWALZDJABF-UHFFFAOYSA-N 1 2 237.303 1.125 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1=CCCCO1 ZINC000072960892 643215904 /nfs/dbraw/zinc/21/59/04/643215904.db2.gz HRBZKLJJCQUOIB-SNVBAGLBSA-N 1 2 235.287 1.082 20 0 BDADLO C#CCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000184779921 643239444 /nfs/dbraw/zinc/23/94/44/643239444.db2.gz PYLBFRXHNWVRFK-CYBMUJFWSA-N 1 2 231.295 1.856 20 0 BDADLO C/C=C/C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082250756 643283676 /nfs/dbraw/zinc/28/36/76/643283676.db2.gz UFMUKCDRRBIBAX-GORDUTHDSA-N 1 2 231.299 1.306 20 0 BDADLO C/C=C/C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082275499 643291184 /nfs/dbraw/zinc/29/11/84/643291184.db2.gz BASPBELNSJZABW-YWNRKNDBSA-N 1 2 219.288 1.692 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000091506923 643329605 /nfs/dbraw/zinc/32/96/05/643329605.db2.gz LBNNZKNYCDDVDR-UHFFFAOYSA-N 1 2 247.298 1.010 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000091506923 643329607 /nfs/dbraw/zinc/32/96/07/643329607.db2.gz LBNNZKNYCDDVDR-UHFFFAOYSA-N 1 2 247.298 1.010 20 0 BDADLO C[C@H](CN1CCOCC1)[N@@H+]1CCn2cccc2C1 ZINC000932528792 643350606 /nfs/dbraw/zinc/35/06/06/643350606.db2.gz PWOAUOCAVAJWET-CYBMUJFWSA-N 1 2 249.358 1.024 20 0 BDADLO C[C@H](CN1CCOCC1)[N@H+]1CCn2cccc2C1 ZINC000932528792 643350609 /nfs/dbraw/zinc/35/06/09/643350609.db2.gz PWOAUOCAVAJWET-CYBMUJFWSA-N 1 2 249.358 1.024 20 0 BDADLO CSCC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000932586191 643367984 /nfs/dbraw/zinc/36/79/84/643367984.db2.gz LWCQQGLEIAWCLQ-UHFFFAOYSA-N 1 2 240.376 1.688 20 0 BDADLO Cn1c2ccccc2n(C[NH+]2CCCCC2)c1=O ZINC000073340761 643438763 /nfs/dbraw/zinc/43/87/63/643438763.db2.gz NMBLTXDKPFXCMK-UHFFFAOYSA-N 1 2 245.326 1.783 20 0 BDADLO O=C(/C=C\C1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC001032331079 643516026 /nfs/dbraw/zinc/51/60/26/643516026.db2.gz TWWWAKWASWHFEY-WGPFEIJOSA-N 1 2 238.306 1.207 20 0 BDADLO O=C(/C=C\C1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC001032331079 643516043 /nfs/dbraw/zinc/51/60/43/643516043.db2.gz TWWWAKWASWHFEY-WGPFEIJOSA-N 1 2 238.306 1.207 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000307568966 643516247 /nfs/dbraw/zinc/51/62/47/643516247.db2.gz VCRKIUVANSAAQI-JGVFFNPUSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000307568966 643516251 /nfs/dbraw/zinc/51/62/51/643516251.db2.gz VCRKIUVANSAAQI-JGVFFNPUSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000307568964 643516847 /nfs/dbraw/zinc/51/68/47/643516847.db2.gz VCRKIUVANSAAQI-HTQZYQBOSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000307568964 643516856 /nfs/dbraw/zinc/51/68/56/643516856.db2.gz VCRKIUVANSAAQI-HTQZYQBOSA-N 1 2 224.131 1.901 20 0 BDADLO CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000970906216 643600354 /nfs/dbraw/zinc/60/03/54/643600354.db2.gz ZPRJCLDZCXDHOU-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000970906216 643600359 /nfs/dbraw/zinc/60/03/59/643600359.db2.gz ZPRJCLDZCXDHOU-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO CNC(=S)NCc1cc(C)[nH+]c(C)c1 ZINC000146181272 643634449 /nfs/dbraw/zinc/63/44/49/643634449.db2.gz GHYJBWHYSOVRKK-UHFFFAOYSA-N 1 2 209.318 1.292 20 0 BDADLO CC(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001002201990 643810830 /nfs/dbraw/zinc/81/08/30/643810830.db2.gz CQRSDFHDENLMKG-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO CC(C)CC(=O)OCc1ccc[nH+]c1N ZINC000922171484 643889626 /nfs/dbraw/zinc/88/96/26/643889626.db2.gz LZWUCBPRRZMMES-UHFFFAOYSA-N 1 2 208.261 1.753 20 0 BDADLO Cc1[nH]c(CNc2ncccc2CO)[nH+]c1C ZINC000922290244 643956473 /nfs/dbraw/zinc/95/64/73/643956473.db2.gz RAFVUZPICVYKPH-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO Nc1ccc(COC(=O)COCC2CC2)c[nH+]1 ZINC000922347751 643979023 /nfs/dbraw/zinc/97/90/23/643979023.db2.gz DDKHMLSAXWAHNG-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922451790 643997036 /nfs/dbraw/zinc/99/70/36/643997036.db2.gz RXRCHXNBCKLTNL-SECBINFHSA-N 1 2 222.288 1.999 20 0 BDADLO CCC[C@](C)(O)C(=O)OCc1ccc[nH+]c1N ZINC000922543656 644019981 /nfs/dbraw/zinc/01/99/81/644019981.db2.gz FRYSKDODERCZRA-LBPRGKRZSA-N 1 2 238.287 1.258 20 0 BDADLO COCc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)no1 ZINC000922554462 644022373 /nfs/dbraw/zinc/02/23/73/644022373.db2.gz KAPJQYPSQFXQBZ-BXKDBHETSA-N 1 2 239.319 1.003 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)c1cccc(F)c1 ZINC000922563718 644026082 /nfs/dbraw/zinc/02/60/82/644026082.db2.gz LDYXIYIBFKRRGP-ZDUSSCGKSA-N 1 2 249.289 1.546 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922621152 644042846 /nfs/dbraw/zinc/04/28/46/644042846.db2.gz JPCXUJFAJXCGJK-WDEREUQCSA-N 1 2 234.299 1.999 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922635773 644049345 /nfs/dbraw/zinc/04/93/45/644049345.db2.gz XHFQVMZMLBLWJA-SNVBAGLBSA-N 1 2 226.251 1.701 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2C[C@@H]2C2CC2)c[nH+]1 ZINC000922757119 644088075 /nfs/dbraw/zinc/08/80/75/644088075.db2.gz RADGYHDATZVLAT-MNOVXSKESA-N 1 2 232.283 1.753 20 0 BDADLO Cc1nc(C(=O)OCc2ccc[nH+]c2N)c(C)o1 ZINC000922762672 644089448 /nfs/dbraw/zinc/08/94/48/644089448.db2.gz YJUSGDRIZBIJNF-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO Nc1ccc(COC(=O)/C=C\[C@@H]2CCCO2)c[nH+]1 ZINC000922816309 644107893 /nfs/dbraw/zinc/10/78/93/644107893.db2.gz OEWJVOGPKILTHD-QZPNVGJNSA-N 1 2 248.282 1.442 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cc(C2CC2)nn1C ZINC000922948417 644199380 /nfs/dbraw/zinc/19/93/80/644199380.db2.gz RIRKLLQVGSWSFK-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cc(C2CC2)nn1C ZINC000922948417 644199382 /nfs/dbraw/zinc/19/93/82/644199382.db2.gz RIRKLLQVGSWSFK-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO Oc1cncc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000922975696 644205782 /nfs/dbraw/zinc/20/57/82/644205782.db2.gz INSVQLGXZWIAEO-UHFFFAOYSA-N 1 2 245.282 1.942 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cncc(O)c2)o1 ZINC000922975709 644207101 /nfs/dbraw/zinc/20/71/01/644207101.db2.gz JABXURPJCMCDQO-UHFFFAOYSA-N 1 2 248.282 1.816 20 0 BDADLO Oc1cncc(C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000922976487 644208089 /nfs/dbraw/zinc/20/80/89/644208089.db2.gz XQIVGGIYWWJOGW-UHFFFAOYSA-N 1 2 244.298 1.220 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cn(C)cn1 ZINC000922982422 644209813 /nfs/dbraw/zinc/20/98/13/644209813.db2.gz CDRDVZYUCGFDLV-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079770896 644210419 /nfs/dbraw/zinc/21/04/19/644210419.db2.gz JEAITFVQLZEENU-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000079770896 644210426 /nfs/dbraw/zinc/21/04/26/644210426.db2.gz JEAITFVQLZEENU-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO FC1(C[NH2+]Cc2noc3c2COCC3)CC1 ZINC000923014908 644233558 /nfs/dbraw/zinc/23/35/58/644233558.db2.gz MVGKHABECAKEPH-UHFFFAOYSA-N 1 2 226.251 1.339 20 0 BDADLO FC(F)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000193585704 644257669 /nfs/dbraw/zinc/25/76/69/644257669.db2.gz GSSJRBZXVDTQJO-QMMMGPOBSA-N 1 2 214.215 1.552 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087620244 644501202 /nfs/dbraw/zinc/50/12/02/644501202.db2.gz DWKUCQPASJJGHD-KOLCDFICSA-N 1 2 231.361 1.813 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000923576896 644512189 /nfs/dbraw/zinc/51/21/89/644512189.db2.gz MPWLMQUOXLCRPP-JLLWLGSASA-N 1 2 248.282 1.042 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)C[C@H]1C ZINC000245794673 644542645 /nfs/dbraw/zinc/54/26/45/644542645.db2.gz YBSSXNFAYJFLFK-NXEZZACHSA-N 1 2 240.376 1.886 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=S)C[C@H]1C ZINC000245794673 644542650 /nfs/dbraw/zinc/54/26/50/644542650.db2.gz YBSSXNFAYJFLFK-NXEZZACHSA-N 1 2 240.376 1.886 20 0 BDADLO CCOC(=O)[C@H](C)NCc1c[nH+]cn1C(C)C ZINC000090208781 644584916 /nfs/dbraw/zinc/58/49/16/644584916.db2.gz BCBJXDHKRSZYDW-JTQLQIEISA-N 1 2 239.319 1.505 20 0 BDADLO Cn1nccc1COC(=O)CCCn1cc[nH+]c1 ZINC000766531260 644667476 /nfs/dbraw/zinc/66/74/76/644667476.db2.gz STWXSDLUXKESSG-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO OCC[N@H+](Cc1ccoc1)Cc1cccnc1 ZINC000093086322 644677584 /nfs/dbraw/zinc/67/75/84/644677584.db2.gz WRFSKUJNPANCFM-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO OCC[N@@H+](Cc1ccoc1)Cc1cccnc1 ZINC000093086322 644677590 /nfs/dbraw/zinc/67/75/90/644677590.db2.gz WRFSKUJNPANCFM-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)ccc1F ZINC000769115175 644678932 /nfs/dbraw/zinc/67/89/32/644678932.db2.gz PAOSRHPOUYJVMI-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)ccc1F ZINC000769115175 644678935 /nfs/dbraw/zinc/67/89/35/644678935.db2.gz PAOSRHPOUYJVMI-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO CCN(C(=O)c1nocc1C)C1C[NH+](CC)C1 ZINC000957104346 644684938 /nfs/dbraw/zinc/68/49/38/644684938.db2.gz VUPBUAQZFDFXKC-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771875681 644689922 /nfs/dbraw/zinc/68/99/22/644689922.db2.gz RUPXHAAYERXVAR-UHFFFAOYSA-N 1 2 247.254 1.271 20 0 BDADLO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000249512734 644725211 /nfs/dbraw/zinc/72/52/11/644725211.db2.gz OPCHWBBOAALDTN-OUAUKWLOSA-N 1 2 243.372 1.956 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000095015501 644738225 /nfs/dbraw/zinc/73/82/25/644738225.db2.gz PTTYYNUKKDZQSA-MLRMMBSGSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000095015501 644738229 /nfs/dbraw/zinc/73/82/29/644738229.db2.gz PTTYYNUKKDZQSA-MLRMMBSGSA-N 1 2 241.331 1.605 20 0 BDADLO CC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000782985558 644749143 /nfs/dbraw/zinc/74/91/43/644749143.db2.gz IJJNVVUBTWKTAG-UHFFFAOYSA-N 1 2 210.277 1.863 20 0 BDADLO Cc1nc(C)c(C(=O)OCCc2c[nH+]cn2C)o1 ZINC000793237879 644801908 /nfs/dbraw/zinc/80/19/08/644801908.db2.gz KWZZYZHYWGDPCA-UHFFFAOYSA-N 1 2 249.270 1.424 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C(=O)OC(C)(C)C ZINC000251534205 644808223 /nfs/dbraw/zinc/80/82/23/644808223.db2.gz GQFQSOZYYBFTGZ-HBNTYKKESA-N 1 2 243.347 1.610 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)[nH]n1 ZINC000800478404 644835676 /nfs/dbraw/zinc/83/56/76/644835676.db2.gz GLNZSELNRYHRAO-JTQLQIEISA-N 1 2 247.346 1.865 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCc3n[nH]cc3C2)n1 ZINC000843144334 644862818 /nfs/dbraw/zinc/86/28/18/644862818.db2.gz AREUBGRPTFJSLD-QMMMGPOBSA-N 1 2 247.302 1.175 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H](C)COC(C)C ZINC000414483717 644865319 /nfs/dbraw/zinc/86/53/19/644865319.db2.gz FQMVDLGICYBQNZ-CMPLNLGQSA-N 1 2 243.347 1.731 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000304341160 644893628 /nfs/dbraw/zinc/89/36/28/644893628.db2.gz TUHWAKXSJUPFGO-QWRGUYRKSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](O)C1 ZINC000304341160 644893632 /nfs/dbraw/zinc/89/36/32/644893632.db2.gz TUHWAKXSJUPFGO-QWRGUYRKSA-N 1 2 229.320 1.175 20 0 BDADLO CO[C@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459206 644983569 /nfs/dbraw/zinc/98/35/69/644983569.db2.gz SGTIKXPWDDUXMF-LLVKDONJSA-N 1 2 236.315 1.740 20 0 BDADLO CC(C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828068210 645093317 /nfs/dbraw/zinc/09/33/17/645093317.db2.gz FODSPXSNTPVJDY-LLVKDONJSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000834408096 645141676 /nfs/dbraw/zinc/14/16/76/645141676.db2.gz WZHQGVUTEQWSGK-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cnn(C)n1 ZINC000926587712 645302672 /nfs/dbraw/zinc/30/26/72/645302672.db2.gz NYNNJHHPHSJDPQ-OPRDCNLKSA-N 1 2 226.299 1.746 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000844379310 645320985 /nfs/dbraw/zinc/32/09/85/645320985.db2.gz PJWZXPXGBFWIPW-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000844379310 645320990 /nfs/dbraw/zinc/32/09/90/645320990.db2.gz PJWZXPXGBFWIPW-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000844381795 645323794 /nfs/dbraw/zinc/32/37/94/645323794.db2.gz NDODVPMOCYXNAB-LBPRGKRZSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000844381795 645323806 /nfs/dbraw/zinc/32/38/06/645323806.db2.gz NDODVPMOCYXNAB-LBPRGKRZSA-N 1 2 238.335 1.205 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CO)[C@H](C)CCC ZINC000844380943 645325640 /nfs/dbraw/zinc/32/56/40/645325640.db2.gz YMLYAZRFIZPZAW-GRYCIOLGSA-N 1 2 245.363 1.715 20 0 BDADLO CON1CC[NH+](Cc2cnccc2C)CC1 ZINC000846979078 645409875 /nfs/dbraw/zinc/40/98/75/645409875.db2.gz QHKZSXHBXZNXIF-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO CN(Cc1ccc(O)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000857465387 645566157 /nfs/dbraw/zinc/56/61/57/645566157.db2.gz MPABJLPJTBUMLN-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO Cc1cc(C)c(CN2C(=O)CN(C)C2=O)c[nH+]1 ZINC000927663732 645637112 /nfs/dbraw/zinc/63/71/12/645637112.db2.gz SJQWDLWIJGQFME-UHFFFAOYSA-N 1 2 233.271 1.092 20 0 BDADLO C[C@@]1(C(=O)NCc2ccc(N)[nH+]c2)C=CCC1 ZINC000927778521 645654776 /nfs/dbraw/zinc/65/47/76/645654776.db2.gz WCQZXEREHFJXQJ-CYBMUJFWSA-N 1 2 231.299 1.636 20 0 BDADLO CC1(C(=O)NCc2ccc(N)[nH+]c2)CC=CC1 ZINC000927778720 645656969 /nfs/dbraw/zinc/65/69/69/645656969.db2.gz YKNADZVCMFYITN-UHFFFAOYSA-N 1 2 231.299 1.636 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC1(F)F ZINC000857728014 645665329 /nfs/dbraw/zinc/66/53/29/645665329.db2.gz HOYNYUARCPMHOV-SSDOTTSWSA-N 1 2 229.230 1.114 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000928035303 645679293 /nfs/dbraw/zinc/67/92/93/645679293.db2.gz BDCQHIUHBVHBTE-CZULRBLNSA-N 1 2 219.288 1.113 20 0 BDADLO COC[C@@]1(C)C[N@H+](C/C=C\Cl)CCO1 ZINC000860200249 645687180 /nfs/dbraw/zinc/68/71/80/645687180.db2.gz QVYPHLZHOMVUSS-UMBAGQNISA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@@]1(C)C[N@@H+](C/C=C\Cl)CCO1 ZINC000860200249 645687186 /nfs/dbraw/zinc/68/71/86/645687186.db2.gz QVYPHLZHOMVUSS-UMBAGQNISA-N 1 2 219.712 1.476 20 0 BDADLO Cc1cc(F)ncc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000865676002 645721896 /nfs/dbraw/zinc/72/18/96/645721896.db2.gz HQKFRVWTDJJGMM-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO CCCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928642352 645853239 /nfs/dbraw/zinc/85/32/39/645853239.db2.gz GLRXPDRFXPWQSV-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2COC[C@@H]2C)c(C)[nH+]1 ZINC000928899676 645883861 /nfs/dbraw/zinc/88/38/61/645883861.db2.gz XCFJLCJGRIANNU-JOYOIKCWSA-N 1 2 248.326 1.772 20 0 BDADLO CCc1ncc(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000929070393 645932500 /nfs/dbraw/zinc/93/25/00/645932500.db2.gz VBZKMIMLEOMNJS-UHFFFAOYSA-N 1 2 232.287 1.518 20 0 BDADLO c1nc(-c2noc([C@H]3C[C@@H]3c3c[nH]c[nH+]3)n2)c[nH]1 ZINC000924092533 645977799 /nfs/dbraw/zinc/97/77/99/645977799.db2.gz LFVJINGPWHNCDW-BQBZGAKWSA-N 1 2 242.242 1.454 20 0 BDADLO CCc1onc(C)c1C[N@H+](CC(N)=O)C(C)C ZINC000929188565 645988264 /nfs/dbraw/zinc/98/82/64/645988264.db2.gz JLNPMXQPCZPAKD-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CCc1onc(C)c1C[N@@H+](CC(N)=O)C(C)C ZINC000929188565 645988272 /nfs/dbraw/zinc/98/82/72/645988272.db2.gz JLNPMXQPCZPAKD-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@]12C[C@H]1CCC2 ZINC000924431784 646035806 /nfs/dbraw/zinc/03/58/06/646035806.db2.gz CBIYYERNGSBPHU-ZYHUDNBSSA-N 1 2 220.272 1.617 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nn(C)cc1C ZINC000929267716 646048568 /nfs/dbraw/zinc/04/85/68/646048568.db2.gz DIPPXWLCNPGEGW-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nn(C)cc1C ZINC000929267716 646048571 /nfs/dbraw/zinc/04/85/71/646048571.db2.gz DIPPXWLCNPGEGW-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@H](c1ncccn1)[NH+]1CCSCC1 ZINC000929275872 646056189 /nfs/dbraw/zinc/05/61/89/646056189.db2.gz FLLLMYQXLFASOE-SECBINFHSA-N 1 2 209.318 1.586 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2cnn(C)c2)nn1 ZINC000924752459 646100934 /nfs/dbraw/zinc/10/09/34/646100934.db2.gz PEJPWWFRTKLHCK-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO Cc1ncsc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000924972162 646146923 /nfs/dbraw/zinc/14/69/23/646146923.db2.gz WSPWFFLRQHHSRJ-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000925213423 646212049 /nfs/dbraw/zinc/21/20/49/646212049.db2.gz ZMZGPMOQNCGSOJ-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cnn(C)n1 ZINC000925245280 646218473 /nfs/dbraw/zinc/21/84/73/646218473.db2.gz PJMVUSQFZWWYNY-VWYCJHECSA-N 1 2 249.362 1.091 20 0 BDADLO CC(C)c1nsc(C[N@H+](C)CC(C)(C)O)n1 ZINC000929655122 646226722 /nfs/dbraw/zinc/22/67/22/646226722.db2.gz UEMVLPIWKVUXIT-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nsc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000929655122 646226730 /nfs/dbraw/zinc/22/67/30/646226730.db2.gz UEMVLPIWKVUXIT-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000929660085 646229555 /nfs/dbraw/zinc/22/95/55/646229555.db2.gz QGGHHDFPWRURKO-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnn(CCF)c1 ZINC000929660085 646229559 /nfs/dbraw/zinc/22/95/59/646229559.db2.gz QGGHHDFPWRURKO-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO c1cn(C2CCN(Cc3nncs3)CC2)c[nH+]1 ZINC000929805457 646326363 /nfs/dbraw/zinc/32/63/63/646326363.db2.gz IDYCLAZLUONBDH-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c(C)nn1 ZINC000929842845 646354898 /nfs/dbraw/zinc/35/48/98/646354898.db2.gz DMQQSLBNUZCABT-RYUDHWBXSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c(C)nn1 ZINC000929842845 646354905 /nfs/dbraw/zinc/35/49/05/646354905.db2.gz DMQQSLBNUZCABT-RYUDHWBXSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c(C)nn1 ZINC000929842844 646356579 /nfs/dbraw/zinc/35/65/79/646356579.db2.gz DMQQSLBNUZCABT-NWDGAFQWSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c(C)nn1 ZINC000929842844 646356588 /nfs/dbraw/zinc/35/65/88/646356588.db2.gz DMQQSLBNUZCABT-NWDGAFQWSA-N 1 2 235.331 1.703 20 0 BDADLO COC(=O)[C@H]1CCCC[C@@H]1Cn1cc[nH+]c1 ZINC000929865496 646366672 /nfs/dbraw/zinc/36/66/72/646366672.db2.gz FCTNAIBCYQCDEE-MNOVXSKESA-N 1 2 222.288 1.863 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)c(C)nn1 ZINC000930014221 646394030 /nfs/dbraw/zinc/39/40/30/646394030.db2.gz QMUYEAMFIPCUMB-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)c(C)nn1 ZINC000930014221 646394036 /nfs/dbraw/zinc/39/40/36/646394036.db2.gz QMUYEAMFIPCUMB-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO C[C@@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930086994 646429729 /nfs/dbraw/zinc/42/97/29/646429729.db2.gz OZSILHOZHGHABL-SECBINFHSA-N 1 2 245.282 1.424 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000930114582 646440537 /nfs/dbraw/zinc/44/05/37/646440537.db2.gz NCJDPQDACRQTKW-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000930114582 646440539 /nfs/dbraw/zinc/44/05/39/646440539.db2.gz NCJDPQDACRQTKW-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C2CC2)CCC1 ZINC000925720295 646444471 /nfs/dbraw/zinc/44/44/71/646444471.db2.gz FXFLSRYVMVDCEQ-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125356 646447953 /nfs/dbraw/zinc/44/79/53/646447953.db2.gz NWKQZBOLCPPHER-GXSJLCMTSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125356 646447959 /nfs/dbraw/zinc/44/79/59/646447959.db2.gz NWKQZBOLCPPHER-GXSJLCMTSA-N 1 2 238.331 1.927 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N=S1(=O)CCCC1 ZINC000925908771 646538978 /nfs/dbraw/zinc/53/89/78/646538978.db2.gz VMDUXBSCLBYERK-UHFFFAOYSA-N 1 2 241.316 1.131 20 0 BDADLO CC(C)[S@@](C)(=O)=NC(=O)CCn1cc[nH+]c1 ZINC000926065376 646571165 /nfs/dbraw/zinc/57/11/65/646571165.db2.gz VVDCPWMTXWHBHE-MRXNPFEDSA-N 1 2 243.332 1.306 20 0 BDADLO C[C@@H](Cc1ccccn1)[NH2+]CC(F)(F)CO ZINC000926193447 646592412 /nfs/dbraw/zinc/59/24/12/646592412.db2.gz QPFQTYUXGQIEFM-VIFPVBQESA-N 1 2 230.258 1.230 20 0 BDADLO COCc1csc(C[NH2+]Cc2c[nH]cn2)c1 ZINC000724673037 711607780 /nfs/dbraw/zinc/60/77/80/711607780.db2.gz OZSIXHNXIOWUCV-UHFFFAOYSA-N 1 2 237.328 1.907 20 0 BDADLO [NH3+][C@H](CC(=O)NCCC(F)(F)F)C(F)F ZINC000724750846 711610810 /nfs/dbraw/zinc/61/08/10/711610810.db2.gz GKKWESWDBFJDSJ-SCSAIBSYSA-N 1 2 234.168 1.038 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721547632 711622634 /nfs/dbraw/zinc/62/26/34/711622634.db2.gz AZWGMVNEQDRCTA-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO C[NH+](C)Cc1csc(CNC(=O)C2CC2)n1 ZINC000722386786 711753004 /nfs/dbraw/zinc/75/30/04/711753004.db2.gz YNWAODKMXVOEHG-UHFFFAOYSA-N 1 2 239.344 1.231 20 0 BDADLO C[C@H](c1nc([C@@]2(C)CCCO2)no1)[NH+](C)C ZINC000923974308 711768900 /nfs/dbraw/zinc/76/89/00/711768900.db2.gz RYIKGZBJLYKJEE-LDYMZIIASA-N 1 2 225.292 1.718 20 0 BDADLO CC/C(C)=C\C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000835266929 711866776 /nfs/dbraw/zinc/86/67/76/711866776.db2.gz ODVSPTILWQVLAH-MMRAYRKESA-N 1 2 241.331 1.607 20 0 BDADLO COc1cncc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000700013131 711982551 /nfs/dbraw/zinc/98/25/51/711982551.db2.gz SADLEUXGKLMSJA-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000704793267 712117550 /nfs/dbraw/zinc/11/75/50/712117550.db2.gz UWCHVCDUFMTXTM-IUCAKERBSA-N 1 2 235.274 1.773 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000704793267 712117552 /nfs/dbraw/zinc/11/75/52/712117552.db2.gz UWCHVCDUFMTXTM-IUCAKERBSA-N 1 2 235.274 1.773 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCOCC12CCC2 ZINC000707476962 712170743 /nfs/dbraw/zinc/17/07/43/712170743.db2.gz OIJAFRGHFCZROA-WCIBSUBMSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCOCC12CCC2 ZINC000707476962 712170746 /nfs/dbraw/zinc/17/07/46/712170746.db2.gz OIJAFRGHFCZROA-WCIBSUBMSA-N 1 2 239.315 1.361 20 0 BDADLO Cc1conc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000708235746 712184219 /nfs/dbraw/zinc/18/42/19/712184219.db2.gz MNGALGIKBPKJSM-MRVPVSSYSA-N 1 2 206.249 1.557 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccco2)c1Cl ZINC000378899917 712366778 /nfs/dbraw/zinc/36/67/78/712366778.db2.gz DNSNVROARDWEPJ-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)C(=O)OC ZINC000715435122 712518910 /nfs/dbraw/zinc/51/89/10/712518910.db2.gz HJHSVIRIUASXGL-SDDRHHMPSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCSC1 ZINC000036980335 712525545 /nfs/dbraw/zinc/52/55/45/712525545.db2.gz FEYSKIDDKZYQLW-ZJUUUORDSA-N 1 2 231.361 1.669 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715539949 712526497 /nfs/dbraw/zinc/52/64/97/712526497.db2.gz NGPHYUGEZYTSOA-HRDYMLBCSA-N 1 2 231.242 1.135 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715539949 712526498 /nfs/dbraw/zinc/52/64/98/712526498.db2.gz NGPHYUGEZYTSOA-HRDYMLBCSA-N 1 2 231.242 1.135 20 0 BDADLO Cc1nc(N2CCC(C(C)(C)O)CC2)cc[nH+]1 ZINC000716414066 712559122 /nfs/dbraw/zinc/55/91/22/712559122.db2.gz VSQYIZHYOPWPGK-UHFFFAOYSA-N 1 2 235.331 1.772 20 0 BDADLO CCC[N@H+](CCc1ccns1)CC(=O)OC ZINC000719793577 712823374 /nfs/dbraw/zinc/82/33/74/712823374.db2.gz IVEUMVORLVYUKC-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCC[N@@H+](CCc1ccns1)CC(=O)OC ZINC000719793577 712823375 /nfs/dbraw/zinc/82/33/75/712823375.db2.gz IVEUMVORLVYUKC-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001037982311 712895848 /nfs/dbraw/zinc/89/58/48/712895848.db2.gz XSTBUFLVPFVSJV-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001037982311 712895849 /nfs/dbraw/zinc/89/58/49/712895849.db2.gz XSTBUFLVPFVSJV-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO O=C(NC[C@@H]1CC[N@H+]1C/C=C\Cl)C1CCC1 ZINC001037997996 712897789 /nfs/dbraw/zinc/89/77/89/712897789.db2.gz TYXPHWRYVWLRST-ZYVOWACSSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(NC[C@@H]1CC[N@@H+]1C/C=C\Cl)C1CCC1 ZINC001037997996 712897790 /nfs/dbraw/zinc/89/77/90/712897790.db2.gz TYXPHWRYVWLRST-ZYVOWACSSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(NC[C@@H]1CC[N@H+]1C/C=C/Cl)C1CCC1 ZINC001037997982 712897884 /nfs/dbraw/zinc/89/78/84/712897884.db2.gz TYXPHWRYVWLRST-GSQGTZRGSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(NC[C@@H]1CC[N@@H+]1C/C=C/Cl)C1CCC1 ZINC001037997982 712897885 /nfs/dbraw/zinc/89/78/85/712897885.db2.gz TYXPHWRYVWLRST-GSQGTZRGSA-N 1 2 242.750 1.730 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CCSC2)cc[nH+]1 ZINC000381398604 710632297 /nfs/dbraw/zinc/63/22/97/710632297.db2.gz PNDAFJXXHFLWCV-VIFPVBQESA-N 1 2 238.312 1.290 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000381448735 710637145 /nfs/dbraw/zinc/63/71/45/710637145.db2.gz GRGNUBSKRADQJB-WPRPVWTQSA-N 1 2 229.320 1.077 20 0 BDADLO CCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000381614446 710661960 /nfs/dbraw/zinc/66/19/60/710661960.db2.gz WQQVYWQAMMGBJE-UHFFFAOYSA-N 1 2 222.288 1.770 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001038601150 710698078 /nfs/dbraw/zinc/69/80/78/710698078.db2.gz XLCAKBQJJMMTDO-RRFDEMMASA-N 1 2 242.750 1.585 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001038601150 710698081 /nfs/dbraw/zinc/69/80/81/710698081.db2.gz XLCAKBQJJMMTDO-RRFDEMMASA-N 1 2 242.750 1.585 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723611893 710728509 /nfs/dbraw/zinc/72/85/09/710728509.db2.gz ZCUUVZPSIKEFJJ-GARJFASQSA-N 1 2 236.319 1.100 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723611893 710728510 /nfs/dbraw/zinc/72/85/10/710728510.db2.gz ZCUUVZPSIKEFJJ-GARJFASQSA-N 1 2 236.319 1.100 20 0 BDADLO Cc1ccccc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724771384 710746656 /nfs/dbraw/zinc/74/66/56/710746656.db2.gz KMPZBSDSHNUNKA-MRVPVSSYSA-N 1 2 228.242 1.916 20 0 BDADLO CN(Cc1ccccc1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724758257 710746734 /nfs/dbraw/zinc/74/67/34/710746734.db2.gz AYGDOWBZEBISAJ-JTQLQIEISA-N 1 2 242.269 1.628 20 0 BDADLO CN(C(=O)C[C@H]([NH3+])C(F)F)c1ccccc1 ZINC000724770949 710746903 /nfs/dbraw/zinc/74/69/03/710746903.db2.gz IOQKSBHTGMOKMU-VIFPVBQESA-N 1 2 228.242 1.632 20 0 BDADLO OC1CC2(C[C@H]2[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000724968062 710751940 /nfs/dbraw/zinc/75/19/40/710751940.db2.gz YSKWROXALFSAQI-JRZRUSQNSA-N 1 2 243.310 1.566 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)C(C)(F)F)C1 ZINC001042410951 710781737 /nfs/dbraw/zinc/78/17/37/710781737.db2.gz OAVDELFRBMQHFO-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccccc2F)C1 ZINC001042423086 710783440 /nfs/dbraw/zinc/78/34/40/710783440.db2.gz PHFHUPHHIYHPAJ-UHFFFAOYSA-N 1 2 236.290 1.602 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001042472480 710785918 /nfs/dbraw/zinc/78/59/18/710785918.db2.gz UDRUAKLWESHKSH-UHFFFAOYSA-N 1 2 247.342 1.737 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001042611849 710794966 /nfs/dbraw/zinc/79/49/66/710794966.db2.gz IHHCUEVHUNQUMO-UHFFFAOYSA-N 1 2 240.322 1.947 20 0 BDADLO CCc1ccc(C(=O)N(C)C2C[NH+](CC)C2)o1 ZINC001043111533 710804435 /nfs/dbraw/zinc/80/44/35/710804435.db2.gz YJKLGAUQZZUXDY-UHFFFAOYSA-N 1 2 236.315 1.618 20 0 BDADLO CCc1ncoc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001043814862 710815098 /nfs/dbraw/zinc/81/50/98/710815098.db2.gz WLEBZHNZPCMFOD-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO Cc1[nH+]ccn1CCNc1[nH+]cccc1C(=O)[O-] ZINC000385088194 711005615 /nfs/dbraw/zinc/00/56/15/711005615.db2.gz YQTUEZIITABXIU-UHFFFAOYSA-N 1 2 246.270 1.397 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(F)nc1 ZINC000380673372 712902314 /nfs/dbraw/zinc/90/23/14/712902314.db2.gz CCXLFMZOKURVJJ-UHFFFAOYSA-N 1 2 220.207 1.056 20 0 BDADLO CCCCNC(=S)NCc1c[nH+]cn1C ZINC000388553653 711062417 /nfs/dbraw/zinc/06/24/17/711062417.db2.gz UUCNQHJJOUTISM-UHFFFAOYSA-N 1 2 226.349 1.184 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000389807581 711089547 /nfs/dbraw/zinc/08/95/47/711089547.db2.gz ASWKIQFLBNYOSC-GFCCVEGCSA-N 1 2 243.314 1.377 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](COC)CC(C)C ZINC000390436323 711117741 /nfs/dbraw/zinc/11/77/41/711117741.db2.gz SIHIAFKYNAIAKM-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CC[NH2+]Cc1noc(CSC(F)(F)F)n1 ZINC000390820063 711136441 /nfs/dbraw/zinc/13/64/41/711136441.db2.gz VMBDNGHWJXBIRA-UHFFFAOYSA-N 1 2 241.238 1.932 20 0 BDADLO C[C@H]([NH2+][C@@H](C)C(C)(C)O)C(=O)OC(C)(C)C ZINC000393989741 711181641 /nfs/dbraw/zinc/18/16/41/711181641.db2.gz QHOJWFSVJHBOCX-IUCAKERBSA-N 1 2 231.336 1.466 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cccc(C)n2)C1 ZINC001042489502 710787298 /nfs/dbraw/zinc/78/72/98/710787298.db2.gz NWVOTXAFNQYGTG-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000383083339 710951670 /nfs/dbraw/zinc/95/16/70/710951670.db2.gz URLGAJFUHMHZTL-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000386009118 711020770 /nfs/dbraw/zinc/02/07/70/711020770.db2.gz PITDLETYSYMFGL-VIFPVBQESA-N 1 2 207.264 1.733 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000386009118 711020773 /nfs/dbraw/zinc/02/07/73/711020773.db2.gz PITDLETYSYMFGL-VIFPVBQESA-N 1 2 207.264 1.733 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)[nH]1 ZINC000392414182 711146993 /nfs/dbraw/zinc/14/69/93/711146993.db2.gz GPKLVHXQPKBGBX-SSDOTTSWSA-N 1 2 247.327 1.897 20 0 BDADLO C[C@]1(O)CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000379312527 711454474 /nfs/dbraw/zinc/45/44/74/711454474.db2.gz AOTIKPFPUSHNEK-IPWDFOCMSA-N 1 2 210.104 1.762 20 0 BDADLO C[C@]1(O)CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000379312527 711454475 /nfs/dbraw/zinc/45/44/75/711454475.db2.gz AOTIKPFPUSHNEK-IPWDFOCMSA-N 1 2 210.104 1.762 20 0 BDADLO COc1ccc[nH+]c1NCC[C@H]1CC(=O)N(C)C1 ZINC000723368844 711508865 /nfs/dbraw/zinc/50/88/65/711508865.db2.gz OTTQXKYYEUGGRG-JTQLQIEISA-N 1 2 249.314 1.371 20 0 BDADLO Cc1cn(C)nc1C[NH2+][C@H](C)c1ccnn1C ZINC000723524498 711515333 /nfs/dbraw/zinc/51/53/33/711515333.db2.gz HPSCORWQTISSNY-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC(O)(C(C)C)C2)o1 ZINC000723646505 711529836 /nfs/dbraw/zinc/52/98/36/711529836.db2.gz IBRKLDVWESTSKU-UHFFFAOYSA-N 1 2 224.304 1.494 20 0 BDADLO CC(C)(C)c1coc(C[NH2+][C@]23C[C@H]2COC3)n1 ZINC000724377093 711577273 /nfs/dbraw/zinc/57/72/73/711577273.db2.gz QYQKEFNZLAQNTB-ZANVPECISA-N 1 2 236.315 1.851 20 0 BDADLO CC(C)(C)c1coc(C[NH2+]C/C=C\CO)n1 ZINC000724387140 711577462 /nfs/dbraw/zinc/57/74/62/711577462.db2.gz HESSXJHZDXOOIL-PLNGDYQASA-N 1 2 224.304 1.610 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000724776231 711611338 /nfs/dbraw/zinc/61/13/38/711611338.db2.gz YLGJXDPFBDLAAD-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000724776231 711611339 /nfs/dbraw/zinc/61/13/39/711611339.db2.gz YLGJXDPFBDLAAD-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cn[nH]c2C)C1 ZINC000724785957 711615260 /nfs/dbraw/zinc/61/52/60/711615260.db2.gz NGPNBIQQIVQEKH-BXKDBHETSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cn[nH]c2C)C1 ZINC000724785957 711615264 /nfs/dbraw/zinc/61/52/64/711615264.db2.gz NGPNBIQQIVQEKH-BXKDBHETSA-N 1 2 223.320 1.717 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC ZINC000310014140 711702253 /nfs/dbraw/zinc/70/22/53/711702253.db2.gz KAEIVTQYZWAIOQ-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccoc1 ZINC000093055412 711714948 /nfs/dbraw/zinc/71/49/48/711714948.db2.gz XHFWNLDVQVFWKG-NSHDSACASA-N 1 2 222.288 1.236 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccoc1 ZINC000093055412 711714951 /nfs/dbraw/zinc/71/49/51/711714951.db2.gz XHFWNLDVQVFWKG-NSHDSACASA-N 1 2 222.288 1.236 20 0 BDADLO OCC[C@@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000258629261 711739068 /nfs/dbraw/zinc/73/90/68/711739068.db2.gz DOPAXSOMIUZIPQ-NSHDSACASA-N 1 2 248.330 1.402 20 0 BDADLO OCC[C@@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000258629261 711739069 /nfs/dbraw/zinc/73/90/69/711739069.db2.gz DOPAXSOMIUZIPQ-NSHDSACASA-N 1 2 248.330 1.402 20 0 BDADLO CCN1CCC[C@@H](Nc2cc[nH+]cc2F)C1=O ZINC000722348787 711743272 /nfs/dbraw/zinc/74/32/72/711743272.db2.gz XVINAGGHHMWGCJ-LLVKDONJSA-N 1 2 237.278 1.065 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000399644667 711757653 /nfs/dbraw/zinc/75/76/53/711757653.db2.gz HVFHNTVEVSWPGP-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000399644667 711757655 /nfs/dbraw/zinc/75/76/55/711757655.db2.gz HVFHNTVEVSWPGP-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO O[C@@H](CCNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000897383673 711788853 /nfs/dbraw/zinc/78/88/53/711788853.db2.gz DCLRHTDYZAYZNT-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO O[C@@H](CCNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000897383673 711788854 /nfs/dbraw/zinc/78/88/54/711788854.db2.gz DCLRHTDYZAYZNT-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO CCCC[C@@](C)(CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911530619 711819091 /nfs/dbraw/zinc/81/90/91/711819091.db2.gz LJTUKHLXLMUMHV-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000913341099 711821784 /nfs/dbraw/zinc/82/17/84/711821784.db2.gz IBZBCOFCQGVBDT-HAQNSBGRSA-N 1 2 248.326 1.914 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)c1ccoc1 ZINC001030103989 711826551 /nfs/dbraw/zinc/82/65/51/711826551.db2.gz HJWMYXCFQBIVKL-UHFFFAOYSA-N 1 2 226.251 1.053 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001030567367 711837372 /nfs/dbraw/zinc/83/73/72/711837372.db2.gz MRFOCHIIGODVDI-GMTAPVOTSA-N 1 2 222.332 1.243 20 0 BDADLO C[C@H](CC#N)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000068481925 711887289 /nfs/dbraw/zinc/88/72/89/711887289.db2.gz UHWWAXVBNIHRAR-LLVKDONJSA-N 1 2 241.298 1.659 20 0 BDADLO CC[C@](C)(CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494518 711935531 /nfs/dbraw/zinc/93/55/31/711935531.db2.gz LBXROYSPACZBBL-BXKDBHETSA-N 1 2 231.336 1.467 20 0 BDADLO CC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001061033425 711946148 /nfs/dbraw/zinc/94/61/48/711946148.db2.gz MXOJRTUZOFRESY-RYUDHWBXSA-N 1 2 248.330 1.644 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000450947207 711947806 /nfs/dbraw/zinc/94/78/06/711947806.db2.gz YNJCUWOJGDPCKA-LLVKDONJSA-N 1 2 244.298 1.288 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000450947207 711947810 /nfs/dbraw/zinc/94/78/10/711947810.db2.gz YNJCUWOJGDPCKA-LLVKDONJSA-N 1 2 244.298 1.288 20 0 BDADLO Cc1nc(N2CCC(c3cn[nH]c3)CC2)cc[nH+]1 ZINC000360999688 711978502 /nfs/dbraw/zinc/97/85/02/711978502.db2.gz VLBZUFGCQIGAFE-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO COc1cncc(C[NH2+]Cc2cc(C)on2)c1 ZINC000700062444 711985840 /nfs/dbraw/zinc/98/58/40/711985840.db2.gz ZIRCLUMPCWHRIV-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CCN(C(C)=O)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033715563 712015664 /nfs/dbraw/zinc/01/56/64/712015664.db2.gz KRWBSAWFHIHUPA-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO CCN(C(C)=O)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033715563 712015665 /nfs/dbraw/zinc/01/56/65/712015665.db2.gz KRWBSAWFHIHUPA-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO O=C(N[C@@H]1CCCC[N@@H+](CCF)C1)C(F)F ZINC001034068355 712038784 /nfs/dbraw/zinc/03/87/84/712038784.db2.gz IXATXZUVNYJMDY-MRVPVSSYSA-N 1 2 238.253 1.192 20 0 BDADLO O=C(N[C@@H]1CCCC[N@H+](CCF)C1)C(F)F ZINC001034068355 712038786 /nfs/dbraw/zinc/03/87/86/712038786.db2.gz IXATXZUVNYJMDY-MRVPVSSYSA-N 1 2 238.253 1.192 20 0 BDADLO COC1CC(CSc2nc(N)cc(C)[nH+]2)C1 ZINC000703818627 712089160 /nfs/dbraw/zinc/08/91/60/712089160.db2.gz BBEBPQPHGPUDIK-UHFFFAOYSA-N 1 2 239.344 1.884 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N)nn1 ZINC000703962247 712096521 /nfs/dbraw/zinc/09/65/21/712096521.db2.gz IPYPPSCJHDORFJ-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N)nn1 ZINC000703962247 712096523 /nfs/dbraw/zinc/09/65/23/712096523.db2.gz IPYPPSCJHDORFJ-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)C(F)(F)F)n1 ZINC000705469867 712132205 /nfs/dbraw/zinc/13/22/05/712132205.db2.gz KLGMKRUYWZONQV-ZCFIWIBFSA-N 1 2 237.225 1.920 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@](C)(O)C2)cc1Cl ZINC000706169607 712141418 /nfs/dbraw/zinc/14/14/18/712141418.db2.gz ZCMXDHSPCYKEOD-JTQLQIEISA-N 1 2 229.711 1.030 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@](C)(O)C2)cc1Cl ZINC000706169607 712141419 /nfs/dbraw/zinc/14/14/19/712141419.db2.gz ZCMXDHSPCYKEOD-JTQLQIEISA-N 1 2 229.711 1.030 20 0 BDADLO CCC(O)(CC)CN(C)c1cc(NC)[nH+]cn1 ZINC000706408404 712145356 /nfs/dbraw/zinc/14/53/56/712145356.db2.gz MMGJLJQNDYEGRF-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO CCC(O)(CC)CN(C)c1cc(NC)nc[nH+]1 ZINC000706408404 712145358 /nfs/dbraw/zinc/14/53/58/712145358.db2.gz MMGJLJQNDYEGRF-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709060864 712207174 /nfs/dbraw/zinc/20/71/74/712207174.db2.gz JJUMHDZQJWWNJO-IONNQARKSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709060864 712207175 /nfs/dbraw/zinc/20/71/75/712207175.db2.gz JJUMHDZQJWWNJO-IONNQARKSA-N 1 2 239.237 1.822 20 0 BDADLO CCn1cc(C[NH2+]Cc2nccn2C2CC2)cn1 ZINC000711775636 712328698 /nfs/dbraw/zinc/32/86/98/712328698.db2.gz WODFEMNSJJYNHZ-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)c1ccco1 ZINC001079363494 712346703 /nfs/dbraw/zinc/34/67/03/712346703.db2.gz IVRCXODHXCNUQP-NXEZZACHSA-N 1 2 240.278 1.299 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)c1ccco1 ZINC001079363494 712346704 /nfs/dbraw/zinc/34/67/04/712346704.db2.gz IVRCXODHXCNUQP-NXEZZACHSA-N 1 2 240.278 1.299 20 0 BDADLO CCCNc1cc(N(C)[C@@H](CC)CO)nc[nH+]1 ZINC000379062467 712368680 /nfs/dbraw/zinc/36/86/80/712368680.db2.gz SKBFFCPPHJACEN-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCCNc1cc(N(C)[C@@H](CC)CO)[nH+]cn1 ZINC000379062467 712368682 /nfs/dbraw/zinc/36/86/82/712368682.db2.gz SKBFFCPPHJACEN-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cnn(C)c1Cl ZINC000712495901 712431473 /nfs/dbraw/zinc/43/14/73/712431473.db2.gz BAXDAOMVKULRTN-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2cn(C)nn2)cn1 ZINC000715858265 712537171 /nfs/dbraw/zinc/53/71/71/712537171.db2.gz XABFSIBYEVTBOJ-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H]([NH2+]Cc1ccsc1)c1cn(C)nn1 ZINC000715889416 712540074 /nfs/dbraw/zinc/54/00/74/712540074.db2.gz GGHUSMVJXRYYJD-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccns1 ZINC000715925001 712543017 /nfs/dbraw/zinc/54/30/17/712543017.db2.gz AQOIEIJFOUUIRC-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO Cc1nc(NCC[C@@H]2CCCS2)nc(N)[nH+]1 ZINC000715932862 712543722 /nfs/dbraw/zinc/54/37/22/712543722.db2.gz QYKXEEOQADXXQP-QMMMGPOBSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1nc(N)nc(NCC[C@@H]2CCCS2)[nH+]1 ZINC000715932862 712543723 /nfs/dbraw/zinc/54/37/23/712543723.db2.gz QYKXEEOQADXXQP-QMMMGPOBSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccnn1C ZINC000716468967 712563559 /nfs/dbraw/zinc/56/35/59/712563559.db2.gz MJQCVGRMXIARED-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccnn1C ZINC000716468967 712563561 /nfs/dbraw/zinc/56/35/61/712563561.db2.gz MJQCVGRMXIARED-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](C)c1nccnc1C ZINC000716484659 712565253 /nfs/dbraw/zinc/56/52/53/712565253.db2.gz VJUIQUSQQXGLSO-SNVBAGLBSA-N 1 2 231.303 1.667 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](C)c1nccnc1C ZINC000716484659 712565254 /nfs/dbraw/zinc/56/52/54/712565254.db2.gz VJUIQUSQQXGLSO-SNVBAGLBSA-N 1 2 231.303 1.667 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1nccnc1C ZINC000716484658 712565438 /nfs/dbraw/zinc/56/54/38/712565438.db2.gz VJUIQUSQQXGLSO-JTQLQIEISA-N 1 2 231.303 1.667 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](C)c1nccnc1C ZINC000716484658 712565439 /nfs/dbraw/zinc/56/54/39/712565439.db2.gz VJUIQUSQQXGLSO-JTQLQIEISA-N 1 2 231.303 1.667 20 0 BDADLO C[C@@H](CC(=O)O[C@]1(C)CCOC1)n1cc[nH+]c1 ZINC000845559379 712607063 /nfs/dbraw/zinc/60/70/63/712607063.db2.gz CRWHKBOTSHPGFR-CMPLNLGQSA-N 1 2 238.287 1.556 20 0 BDADLO C[C@@H]([NH2+]CC1(CO)CCC1)C(=O)OC(C)(C)C ZINC000717678092 712664079 /nfs/dbraw/zinc/66/40/79/712664079.db2.gz WFHDVCFJAFQSNR-SNVBAGLBSA-N 1 2 243.347 1.469 20 0 BDADLO C[NH+](C)c1ccc(N[C@@H]2CCCNC(=O)C2)cc1 ZINC000111825721 712688302 /nfs/dbraw/zinc/68/83/02/712688302.db2.gz ZPPMFEJBXXTSEK-GFCCVEGCSA-N 1 2 247.342 1.833 20 0 BDADLO CN(C)c1ccc([NH2+][C@@H]2CCCNC(=O)C2)cc1 ZINC000111825721 712688303 /nfs/dbraw/zinc/68/83/03/712688303.db2.gz ZPPMFEJBXXTSEK-GFCCVEGCSA-N 1 2 247.342 1.833 20 0 BDADLO CO[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000718736016 712779308 /nfs/dbraw/zinc/77/93/08/712779308.db2.gz PNZWMRKPPDGIIV-MWLCHTKSSA-N 1 2 224.308 1.242 20 0 BDADLO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000718736016 712779309 /nfs/dbraw/zinc/77/93/09/712779309.db2.gz PNZWMRKPPDGIIV-MWLCHTKSSA-N 1 2 224.308 1.242 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)no1 ZINC000719640218 712815389 /nfs/dbraw/zinc/81/53/89/712815389.db2.gz RJRAURGSFGEJOH-SNVBAGLBSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)no1 ZINC000719640218 712815390 /nfs/dbraw/zinc/81/53/90/712815390.db2.gz RJRAURGSFGEJOH-SNVBAGLBSA-N 1 2 239.319 1.361 20 0 BDADLO C[C@@H](C(=O)NCc1ccc(N)[nH+]c1)[C@H]1CCCO1 ZINC000720608525 712858705 /nfs/dbraw/zinc/85/87/05/712858705.db2.gz BUFTWKYNWZGNIP-MWLCHTKSSA-N 1 2 249.314 1.095 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720789064 712865967 /nfs/dbraw/zinc/86/59/67/712865967.db2.gz OFGKTCPSZNHSNI-OUAUKWLOSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720789064 712865969 /nfs/dbraw/zinc/86/59/69/712865969.db2.gz OFGKTCPSZNHSNI-OUAUKWLOSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@@](C)([NH2+]CC[N+](=O)[O-])c1nccs1 ZINC000380335537 712887630 /nfs/dbraw/zinc/88/76/30/712887630.db2.gz PXWGFBBQKFAZLD-SECBINFHSA-N 1 2 229.305 1.635 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001209554092 957499848 /nfs/dbraw/zinc/49/98/48/957499848.db2.gz GYVSXCLYYFLDSS-MNOVXSKESA-N 1 2 229.274 1.990 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001209554092 957499856 /nfs/dbraw/zinc/49/98/56/957499856.db2.gz GYVSXCLYYFLDSS-MNOVXSKESA-N 1 2 229.274 1.990 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1(C)CC1 ZINC001353889630 960538794 /nfs/dbraw/zinc/53/87/94/960538794.db2.gz YEQSDRAAHHXGQU-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO CCC(=O)NC1C[NH+](CCOCC2CCC2)C1 ZINC001268240104 961469430 /nfs/dbraw/zinc/46/94/30/961469430.db2.gz VPOMKLFWNLHWGS-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO [NH3+][C@H]1CN(C[C@@H]2CCCCO2)CCC1(F)F ZINC001206648193 962609830 /nfs/dbraw/zinc/60/98/30/962609830.db2.gz MJSLQELUAZZVBA-UWVGGRQHSA-N 1 2 234.290 1.224 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1ncc(F)cc1C(N)=O ZINC001155180335 963003334 /nfs/dbraw/zinc/00/33/34/963003334.db2.gz RTTWRLWUXGUSOY-UHFFFAOYSA-N 1 2 238.266 1.755 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206657557 963134788 /nfs/dbraw/zinc/13/47/88/963134788.db2.gz RYSJQKSGOKYRSM-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206657557 963134793 /nfs/dbraw/zinc/13/47/93/963134793.db2.gz RYSJQKSGOKYRSM-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001204384581 963457943 /nfs/dbraw/zinc/45/79/43/963457943.db2.gz ZOJVJVRUCLLBMB-MNOVXSKESA-N 1 2 229.274 1.692 20 0 BDADLO CCC1(Nc2cc(COC)cc[nH+]2)COC1 ZINC001157532880 963647068 /nfs/dbraw/zinc/64/70/68/963647068.db2.gz LDIGCVJPFQTJGP-UHFFFAOYSA-N 1 2 222.288 1.819 20 0 BDADLO CC(C)Oc1cc(NCC2COC2)cc[nH+]1 ZINC001161948917 964832211 /nfs/dbraw/zinc/83/22/11/964832211.db2.gz APMXDMRVOROUQZ-UHFFFAOYSA-N 1 2 222.288 1.927 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2coc(CC)n2)C1 ZINC001030238785 965220548 /nfs/dbraw/zinc/22/05/48/965220548.db2.gz RCSYGGXMBLUPMF-UHFFFAOYSA-N 1 2 237.303 1.061 20 0 BDADLO CS(C)(=O)=NC(=O)C12CCC[NH+](CCC1)C2 ZINC000913638965 965627910 /nfs/dbraw/zinc/62/79/10/965627910.db2.gz OBBUCDIYTKFHNC-UHFFFAOYSA-N 1 2 244.360 1.117 20 0 BDADLO Cc1nc(N2CC(C)(F)C2)c2c([nH+]1)CCC2 ZINC001164589191 965930994 /nfs/dbraw/zinc/93/09/94/965930994.db2.gz RWPYUYJZKSGMQY-UHFFFAOYSA-N 1 2 221.279 1.822 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC001203162560 966534650 /nfs/dbraw/zinc/53/46/50/966534650.db2.gz ZOHCXRSWTIBRBZ-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC001203162560 966534657 /nfs/dbraw/zinc/53/46/57/966534657.db2.gz ZOHCXRSWTIBRBZ-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238018673 966708312 /nfs/dbraw/zinc/70/83/12/966708312.db2.gz VNWZVLBFIWDDRU-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238018673 966708322 /nfs/dbraw/zinc/70/83/22/966708322.db2.gz VNWZVLBFIWDDRU-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccc[nH]2)C[C@@H]1F ZINC001204006762 966845389 /nfs/dbraw/zinc/84/53/89/966845389.db2.gz LRHRIPCJLSFAMD-WDEREUQCSA-N 1 2 212.268 1.310 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccc[nH]2)C[C@@H]1F ZINC001204006762 966845394 /nfs/dbraw/zinc/84/53/94/966845394.db2.gz LRHRIPCJLSFAMD-WDEREUQCSA-N 1 2 212.268 1.310 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+](Cc2cccnc2)C1 ZINC001204068982 966878005 /nfs/dbraw/zinc/87/80/05/966878005.db2.gz IYGSHWPKAGWWGC-RYUDHWBXSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2cccnc2)C1 ZINC001204068982 966878007 /nfs/dbraw/zinc/87/80/07/966878007.db2.gz IYGSHWPKAGWWGC-RYUDHWBXSA-N 1 2 224.279 1.234 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)[C@@H](F)CC1 ZINC001204587971 967075548 /nfs/dbraw/zinc/07/55/48/967075548.db2.gz QCOIQLGLIUHBHS-VIFPVBQESA-N 1 2 225.267 1.221 20 0 BDADLO COCCc1[nH]c2cc(F)c(OC)cc2[nH+]1 ZINC001250595644 968127036 /nfs/dbraw/zinc/12/70/36/968127036.db2.gz OGFFCCCENHHZCS-UHFFFAOYSA-N 1 2 224.235 1.900 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)COc1cccc(F)c1 ZINC001250783552 968201225 /nfs/dbraw/zinc/20/12/25/968201225.db2.gz JUYZMQMESHQXDV-VIFPVBQESA-N 1 2 249.232 1.420 20 0 BDADLO COc1ncc(C[NH+]2CCSCC2)cn1 ZINC001206387721 968274237 /nfs/dbraw/zinc/27/42/37/968274237.db2.gz ZQSFLQPACMEXCP-UHFFFAOYSA-N 1 2 225.317 1.034 20 0 BDADLO CCCCOc1cc(NC[C@H](O)CO)cc[nH+]1 ZINC001252054893 968466635 /nfs/dbraw/zinc/46/66/35/968466635.db2.gz ZTOUFZRJZSZTDD-NSHDSACASA-N 1 2 240.303 1.026 20 0 BDADLO CC[N@H+](Cc1cnc(C)s1)C1CN(C)C1 ZINC001207062827 968590747 /nfs/dbraw/zinc/59/07/47/968590747.db2.gz LZFPCSDIRIDYNV-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO CC[N@@H+](Cc1cnc(C)s1)C1CN(C)C1 ZINC001207062827 968590762 /nfs/dbraw/zinc/59/07/62/968590762.db2.gz LZFPCSDIRIDYNV-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1C/C=C\Cl)C(=O)C1CC1 ZINC001085449560 968721730 /nfs/dbraw/zinc/72/17/30/968721730.db2.gz XTVLQGZCOJGALL-ZYVOWACSSA-N 1 2 242.750 1.682 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1C/C=C\Cl)C(=O)C1CC1 ZINC001085449560 968721741 /nfs/dbraw/zinc/72/17/41/968721741.db2.gz XTVLQGZCOJGALL-ZYVOWACSSA-N 1 2 242.750 1.682 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)COC(C)C ZINC001252667174 968900577 /nfs/dbraw/zinc/90/05/77/968900577.db2.gz NMCMXYUQSLRKRO-SNVBAGLBSA-N 1 2 240.303 1.288 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001252778413 968952401 /nfs/dbraw/zinc/95/24/01/968952401.db2.gz KMTDVYBZDCQTDZ-ZJUUUORDSA-N 1 2 237.290 1.239 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001252778413 968952406 /nfs/dbraw/zinc/95/24/06/968952406.db2.gz KMTDVYBZDCQTDZ-ZJUUUORDSA-N 1 2 237.290 1.239 20 0 BDADLO FC1(F)COC2(C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001207960858 968959824 /nfs/dbraw/zinc/95/98/24/968959824.db2.gz VVCZNQFZQXYKBZ-SNVBAGLBSA-N 1 2 247.285 1.666 20 0 BDADLO COC[C@@H](O)CNc1c(C)cc[nH+]c1C(C)C ZINC001252812897 969003435 /nfs/dbraw/zinc/00/34/35/969003435.db2.gz PINQFXOPCPFZGY-NSHDSACASA-N 1 2 238.331 1.933 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H](C)C(F)(F)F)C[C@@H]1F ZINC001208896042 969282686 /nfs/dbraw/zinc/28/26/86/969282686.db2.gz PRYFBQKXPDXKKY-GJMOJQLCSA-N 1 2 229.217 1.854 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H](C)C(F)(F)F)C[C@@H]1F ZINC001208896042 969282691 /nfs/dbraw/zinc/28/26/91/969282691.db2.gz PRYFBQKXPDXKKY-GJMOJQLCSA-N 1 2 229.217 1.854 20 0 BDADLO CCOC(C)(C)C[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209066821 969342693 /nfs/dbraw/zinc/34/26/93/969342693.db2.gz OIRRCWTXQGJHCN-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO CCOC(C)(C)C[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209066821 969342699 /nfs/dbraw/zinc/34/26/99/969342699.db2.gz OIRRCWTXQGJHCN-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO CCOC(C)(C)C[N@@H+]1Cc2cncnc2C1 ZINC001209066295 969344300 /nfs/dbraw/zinc/34/43/00/969344300.db2.gz CIXNEAKNTMJFJI-UHFFFAOYSA-N 1 2 221.304 1.607 20 0 BDADLO CCOC(C)(C)C[N@H+]1Cc2cncnc2C1 ZINC001209066295 969344305 /nfs/dbraw/zinc/34/43/05/969344305.db2.gz CIXNEAKNTMJFJI-UHFFFAOYSA-N 1 2 221.304 1.607 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)C ZINC001253741758 969362233 /nfs/dbraw/zinc/36/22/33/969362233.db2.gz HIGWVPCCBWMPIJ-QWRGUYRKSA-N 1 2 245.363 1.571 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001253767755 969389443 /nfs/dbraw/zinc/38/94/43/969389443.db2.gz NZDQWOYAEJZANJ-ZDUSSCGKSA-N 1 2 235.327 1.818 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001253767755 969389450 /nfs/dbraw/zinc/38/94/50/969389450.db2.gz NZDQWOYAEJZANJ-ZDUSSCGKSA-N 1 2 235.327 1.818 20 0 BDADLO COC(C)(C)CC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209404364 969445276 /nfs/dbraw/zinc/44/52/76/969445276.db2.gz WQVGQIKYMDHKEF-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO COC(C)(C)CC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209404364 969445288 /nfs/dbraw/zinc/44/52/88/969445288.db2.gz WQVGQIKYMDHKEF-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO C[C@H]1CC(C[NH+]2CC(F)C2)C[C@H](C)O1 ZINC001209380131 969450736 /nfs/dbraw/zinc/45/07/36/969450736.db2.gz VSXKFUYUYNVEOB-IUCAKERBSA-N 1 2 201.285 1.844 20 0 BDADLO COc1cc(C[N@H+](C)C2COC2)cc(F)c1O ZINC001209529540 969533367 /nfs/dbraw/zinc/53/33/67/969533367.db2.gz BIHDGRAXRQWKSM-UHFFFAOYSA-N 1 2 241.262 1.371 20 0 BDADLO COc1cc(C[N@@H+](C)C2COC2)cc(F)c1O ZINC001209529540 969533372 /nfs/dbraw/zinc/53/33/72/969533372.db2.gz BIHDGRAXRQWKSM-UHFFFAOYSA-N 1 2 241.262 1.371 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)no1 ZINC001209559198 969545551 /nfs/dbraw/zinc/54/55/51/969545551.db2.gz CUGFJJAGRKIRHS-PWSUYJOCSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)no1 ZINC001209559198 969545556 /nfs/dbraw/zinc/54/55/56/969545556.db2.gz CUGFJJAGRKIRHS-PWSUYJOCSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1ccncc1NC[C@H]1COCC[N@@H+]1C ZINC001169653731 969801653 /nfs/dbraw/zinc/80/16/53/969801653.db2.gz KEXWKDZCHMROLO-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO CCOC(=O)c1cc(NC=[NH2+])ncc1C ZINC001157077518 970073681 /nfs/dbraw/zinc/07/36/81/970073681.db2.gz FFCRDIIAJROIJZ-UHFFFAOYSA-N 1 2 207.233 1.586 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001255320022 970093765 /nfs/dbraw/zinc/09/37/65/970093765.db2.gz NMHJLFUIBCKEKM-ZYHUDNBSSA-N 1 2 229.320 1.487 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001255575868 970368145 /nfs/dbraw/zinc/36/81/45/970368145.db2.gz KSBSIFADGTVLOW-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO COC[C@@H](C)[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001255575868 970368152 /nfs/dbraw/zinc/36/81/52/970368152.db2.gz KSBSIFADGTVLOW-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1CC[C@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001170130368 970390139 /nfs/dbraw/zinc/39/01/39/970390139.db2.gz FSCZBXZRSXONDR-ZJUUUORDSA-N 1 2 218.291 1.716 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001255659580 970435847 /nfs/dbraw/zinc/43/58/47/970435847.db2.gz ZZQYBJBCEPQHRK-CSMHCCOUSA-N 1 2 209.211 1.800 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001255659580 970435855 /nfs/dbraw/zinc/43/58/55/970435855.db2.gz ZZQYBJBCEPQHRK-CSMHCCOUSA-N 1 2 209.211 1.800 20 0 BDADLO CC[C@@H]1C[C@H]([NH+]2CC(C)(F)C2)CCO1 ZINC001170205509 970571122 /nfs/dbraw/zinc/57/11/22/970571122.db2.gz AMGMKDNXGRMGRI-NXEZZACHSA-N 1 2 201.285 1.988 20 0 BDADLO CN(CCO)c1ccc(NCC(C)(C)C)[nH+]c1 ZINC000305150403 970698004 /nfs/dbraw/zinc/69/80/04/970698004.db2.gz ZYPXIENNZNKWKC-UHFFFAOYSA-N 1 2 237.347 1.968 20 0 BDADLO Cc1cnnc(OC2C[NH+](C(C)C)C2)c1 ZINC001226716618 975046311 /nfs/dbraw/zinc/04/63/11/975046311.db2.gz ZLYQUAAIUBXFNK-UHFFFAOYSA-N 1 2 207.277 1.256 20 0 BDADLO C[C@H]1C[N@@H+](CCCC(F)(F)F)CC(=O)N1C ZINC001333732453 976041243 /nfs/dbraw/zinc/04/12/43/976041243.db2.gz IVJDXUDEOTWBJS-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO COC/C(C)=C\C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC001335927255 977367021 /nfs/dbraw/zinc/36/70/21/977367021.db2.gz IXVSNLSVCNDSBF-LNDQWDPSSA-N 1 2 245.388 1.420 20 0 BDADLO COC/C(C)=C\C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC001335927255 977367028 /nfs/dbraw/zinc/36/70/28/977367028.db2.gz IXVSNLSVCNDSBF-LNDQWDPSSA-N 1 2 245.388 1.420 20 0 BDADLO C[N@H+](CCc1cscn1)Cc1ncccn1 ZINC001175707500 977689155 /nfs/dbraw/zinc/68/91/55/977689155.db2.gz NKUJIPZGRPARCB-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1cscn1)Cc1ncccn1 ZINC001175707500 977689165 /nfs/dbraw/zinc/68/91/65/977689165.db2.gz NKUJIPZGRPARCB-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CC[C@H](OC)C1 ZINC001231739870 977729725 /nfs/dbraw/zinc/72/97/25/977729725.db2.gz KQDQOYUZTBZLSC-NSHDSACASA-N 1 2 240.278 1.450 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CC[C@H](OC)C1 ZINC001231739870 977729736 /nfs/dbraw/zinc/72/97/36/977729736.db2.gz KQDQOYUZTBZLSC-NSHDSACASA-N 1 2 240.278 1.450 20 0 BDADLO COc1ncc(F)cc1C[NH+]1CC=CC1 ZINC001231740323 977729817 /nfs/dbraw/zinc/72/98/17/977729817.db2.gz IZEQESRNMVBDQM-UHFFFAOYSA-N 1 2 208.236 1.601 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001336572894 977788092 /nfs/dbraw/zinc/78/80/92/977788092.db2.gz ZYCSZOVOUYYGSG-JGVFFNPUSA-N 1 2 211.240 1.192 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cnsc2)CC[C@H]1F ZINC001232224541 977951580 /nfs/dbraw/zinc/95/15/80/977951580.db2.gz LWHQXZVGIJDIOG-RKDXNWHRSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cnsc2)CC[C@H]1F ZINC001232224541 977951601 /nfs/dbraw/zinc/95/16/01/977951601.db2.gz LWHQXZVGIJDIOG-RKDXNWHRSA-N 1 2 216.281 1.048 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1C[C@@H](F)[C@H](F)C1 ZINC001232340366 978017106 /nfs/dbraw/zinc/01/71/06/978017106.db2.gz PHFAZPOKSHDOFP-NXEZZACHSA-N 1 2 227.258 1.464 20 0 BDADLO CC[N@@H+](Cc1cnc(OC)cc1C)C1COC1 ZINC001232353405 978030962 /nfs/dbraw/zinc/03/09/62/978030962.db2.gz OKNMQKJPKXHVIF-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](CO)CC(F)(F)C2)c[nH+]1 ZINC001232460717 978098501 /nfs/dbraw/zinc/09/85/01/978098501.db2.gz UNXOSCZPZRHINO-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](CO)CC(F)(F)C2)[nH+]1 ZINC001232460717 978098513 /nfs/dbraw/zinc/09/85/13/978098513.db2.gz UNXOSCZPZRHINO-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO COc1cncc(OC)c1C[N@H+]1CC[C@H]1C ZINC001232501723 978152560 /nfs/dbraw/zinc/15/25/60/978152560.db2.gz FTIYYGQNCKKVOR-SECBINFHSA-N 1 2 222.288 1.693 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cscn1 ZINC001597677019 978350102 /nfs/dbraw/zinc/35/01/02/978350102.db2.gz OLXGIOCVVYAHPM-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO Cc1cnsc1C[N@@H+](C)Cc1cnn(C)c1 ZINC001233318333 978551993 /nfs/dbraw/zinc/55/19/93/978551993.db2.gz ZMKLBHCADGMNCW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1cnsc1C[N@H+](C)Cc1cnn(C)c1 ZINC001233318333 978552003 /nfs/dbraw/zinc/55/20/03/978552003.db2.gz ZMKLBHCADGMNCW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233923328 978729497 /nfs/dbraw/zinc/72/94/97/978729497.db2.gz AYYNQKCJZKAOFZ-NWDGAFQWSA-N 1 2 244.354 1.925 20 0 BDADLO CC[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233923328 978729501 /nfs/dbraw/zinc/72/95/01/978729501.db2.gz AYYNQKCJZKAOFZ-NWDGAFQWSA-N 1 2 244.354 1.925 20 0 BDADLO Cc1cc(F)cc(N2CCC3(COC3)C2)[nH+]1 ZINC001339773540 978910428 /nfs/dbraw/zinc/91/04/28/978910428.db2.gz JQQFQGZSAXGKPH-UHFFFAOYSA-N 1 2 222.263 1.756 20 0 BDADLO CCc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)n1 ZINC001235254529 979009746 /nfs/dbraw/zinc/00/97/46/979009746.db2.gz MLNCFBAFJFFMJY-ZDUSSCGKSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1cccc(C[N@H+]2CC[C@@](F)(CO)C2)n1 ZINC001235254529 979009750 /nfs/dbraw/zinc/00/97/50/979009750.db2.gz MLNCFBAFJFFMJY-ZDUSSCGKSA-N 1 2 238.306 1.550 20 0 BDADLO C[N@H+](Cc1ncc(Cl)cn1)[C@H]1CCCOC1 ZINC001235426448 979042109 /nfs/dbraw/zinc/04/21/09/979042109.db2.gz OKXZIRXKZKVRIC-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)cn1)[C@H]1CCCOC1 ZINC001235426448 979042117 /nfs/dbraw/zinc/04/21/17/979042117.db2.gz OKXZIRXKZKVRIC-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CCN(C(=O)[C@H]1C[C@@]1(F)Cl)C1C[NH+](C)C1 ZINC001181666027 979234463 /nfs/dbraw/zinc/23/44/63/979234463.db2.gz SGCROXWWKGYOSL-SCZZXKLOSA-N 1 2 234.702 1.073 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)o1 ZINC001236598610 979673184 /nfs/dbraw/zinc/67/31/84/979673184.db2.gz ZSOLYXACVXYUSW-QWRGUYRKSA-N 1 2 221.304 1.180 20 0 BDADLO CC[C@@](C)(CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC001604903595 979760053 /nfs/dbraw/zinc/76/00/53/979760053.db2.gz ONQQMBFATUECMZ-NSHDSACASA-N 1 2 225.292 1.116 20 0 BDADLO CC[N@H+](CC[NH3+])Cc1ccc(C)c(C(=O)[O-])c1 ZINC001605446612 979876061 /nfs/dbraw/zinc/87/60/61/979876061.db2.gz AZTNOSBHIJWIHM-UHFFFAOYSA-N 1 2 236.315 1.474 20 0 BDADLO CC[N@@H+](CC[NH3+])Cc1ccc(C)c(C(=O)[O-])c1 ZINC001605446612 979876066 /nfs/dbraw/zinc/87/60/66/979876066.db2.gz AZTNOSBHIJWIHM-UHFFFAOYSA-N 1 2 236.315 1.474 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](C(F)F)C2)nn1 ZINC001343789959 980237518 /nfs/dbraw/zinc/23/75/18/980237518.db2.gz LMUJSYSVKVSGMT-VIFPVBQESA-N 1 2 244.289 1.946 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](C(F)F)C2)nn1 ZINC001343789959 980237527 /nfs/dbraw/zinc/23/75/27/980237527.db2.gz LMUJSYSVKVSGMT-VIFPVBQESA-N 1 2 244.289 1.946 20 0 BDADLO [NH3+][C@H](CC(=O)NCC1(CC2CC2)CC1)C(F)F ZINC001344528931 980416242 /nfs/dbraw/zinc/41/62/42/980416242.db2.gz MRHNMFBYBWBFLQ-SECBINFHSA-N 1 2 246.301 1.665 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCCCc1c[nH+]cn1C ZINC001344916995 980500679 /nfs/dbraw/zinc/50/06/79/980500679.db2.gz MOYWJLHMIDWEPO-GXSJLCMTSA-N 1 2 222.288 1.552 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)C(C)(C)C ZINC001346226723 980789939 /nfs/dbraw/zinc/78/99/39/980789939.db2.gz LIJWGUDINYRBJU-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO CC[C@H](C)CONC(=O)CCc1[nH+]ccn1C ZINC001347102314 980970862 /nfs/dbraw/zinc/97/08/62/980970862.db2.gz NQOABNSOIWQPPR-JTQLQIEISA-N 1 2 239.319 1.447 20 0 BDADLO Cn1ncc(C[N@@H+]2CC(C)(C)C2(C)C)n1 ZINC001347319106 981045526 /nfs/dbraw/zinc/04/55/26/981045526.db2.gz BQNSLKSOFVZQMV-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO Cn1ncc(C[N@H+]2CC(C)(C)C2(C)C)n1 ZINC001347319106 981045530 /nfs/dbraw/zinc/04/55/30/981045530.db2.gz BQNSLKSOFVZQMV-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735200 981156723 /nfs/dbraw/zinc/15/67/23/981156723.db2.gz HGBJSEBQUSWDIR-WDEREUQCSA-N 1 2 235.331 1.371 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1C[C@@H]1F)n1cc[nH+]c1 ZINC001347832134 981187045 /nfs/dbraw/zinc/18/70/45/981187045.db2.gz OYJLVCIZRRQPEU-BDAKNGLRSA-N 1 2 225.267 1.092 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CC1(C)COC1 ZINC001347970917 981231970 /nfs/dbraw/zinc/23/19/70/981231970.db2.gz DGBADSCCMQEOGS-UHFFFAOYSA-N 1 2 238.287 1.373 20 0 BDADLO CCc1ccc(N2CCC[C@H]2CCO)[nH+]c1 ZINC001348108362 981285820 /nfs/dbraw/zinc/28/58/20/981285820.db2.gz XPSVOZUYDLXBAZ-LBPRGKRZSA-N 1 2 220.316 1.995 20 0 BDADLO COC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001193935702 981497178 /nfs/dbraw/zinc/49/71/78/981497178.db2.gz STADJRIIAFNIDV-UHFFFAOYSA-N 1 2 223.276 1.539 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC(C)(C)F ZINC001350080148 981863406 /nfs/dbraw/zinc/86/34/06/981863406.db2.gz HBDUFVBWCNVYIJ-UHFFFAOYSA-N 1 2 241.310 1.607 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](CF)C1 ZINC001350385994 981957967 /nfs/dbraw/zinc/95/79/67/981957967.db2.gz HSWHSWJQVNXLOJ-SNVBAGLBSA-N 1 2 239.294 1.171 20 0 BDADLO CC(C)CCOC(=O)NCCc1[nH+]ccn1C ZINC001194902956 981964854 /nfs/dbraw/zinc/96/48/54/981964854.db2.gz NSPLJUPSEZWDJW-UHFFFAOYSA-N 1 2 239.319 1.735 20 0 BDADLO CC[C@H](CO)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001351319472 982283546 /nfs/dbraw/zinc/28/35/46/982283546.db2.gz IWNDRSJGQYJQBM-GFCCVEGCSA-N 1 2 239.290 1.100 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](F)C1 ZINC001354084067 983148665 /nfs/dbraw/zinc/14/86/65/983148665.db2.gz VLKGUPKKPDZRPG-RKDXNWHRSA-N 1 2 225.267 1.349 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCCOC3)n[nH]1 ZINC001137124894 983958735 /nfs/dbraw/zinc/95/87/35/983958735.db2.gz DFQKVUGQEHHNRC-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO CC[N@H+](CCNC(C)=O)Cc1ncc(C)s1 ZINC001492900888 984045600 /nfs/dbraw/zinc/04/56/00/984045600.db2.gz DJBHQRWTQXCFRS-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CC[N@@H+](CCNC(C)=O)Cc1ncc(C)s1 ZINC001492900888 984045613 /nfs/dbraw/zinc/04/56/13/984045613.db2.gz DJBHQRWTQXCFRS-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CC(C)[NH+]1CC(Oc2cccc(F)n2)C1 ZINC001226185762 974820307 /nfs/dbraw/zinc/82/03/07/974820307.db2.gz BMSOCCGFQCABHX-UHFFFAOYSA-N 1 2 210.252 1.692 20 0 BDADLO CCOC(=O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001243473631 970767358 /nfs/dbraw/zinc/76/73/58/970767358.db2.gz DDQJZQARWCMBFV-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001329270625 973623312 /nfs/dbraw/zinc/62/33/12/973623312.db2.gz JRYFQIDYQAKEMW-DTORHVGOSA-N 1 2 246.301 1.346 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001329270625 973623324 /nfs/dbraw/zinc/62/33/24/973623324.db2.gz JRYFQIDYQAKEMW-DTORHVGOSA-N 1 2 246.301 1.346 20 0 BDADLO CC(C)n1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001256401636 970808259 /nfs/dbraw/zinc/80/82/59/970808259.db2.gz JKUNWEZPUCYACY-JTQLQIEISA-N 1 2 247.302 1.860 20 0 BDADLO COC(C)(CNc1ccc2[nH+]cn(C)c2c1)OC ZINC001170437274 970818034 /nfs/dbraw/zinc/81/80/34/970818034.db2.gz HGMVTCVPIUJWBP-UHFFFAOYSA-N 1 2 249.314 1.994 20 0 BDADLO Fc1nccnc1NCCCCn1cc[nH+]c1 ZINC000402677880 970827464 /nfs/dbraw/zinc/82/74/64/970827464.db2.gz GJQOOTARWQXRBB-UHFFFAOYSA-N 1 2 235.266 1.705 20 0 BDADLO CC(C)Cc1nnc(CCc2c[nH]c[nH+]2)o1 ZINC001256432650 970836542 /nfs/dbraw/zinc/83/65/42/970836542.db2.gz XUXMTOLKXHPKAQ-UHFFFAOYSA-N 1 2 220.276 1.776 20 0 BDADLO CC(C)Cc1nnc(CCn2cc[nH+]c2)o1 ZINC001256432351 970837162 /nfs/dbraw/zinc/83/71/62/970837162.db2.gz NKQDWUBRBXLTIZ-UHFFFAOYSA-N 1 2 220.276 1.707 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001256532255 970856755 /nfs/dbraw/zinc/85/67/55/970856755.db2.gz IFWCJERTDMKMPU-WOPDTQHZSA-N 1 2 235.331 1.997 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001256657800 970906774 /nfs/dbraw/zinc/90/67/74/970906774.db2.gz MVIMXBHTWFUSAV-IONNQARKSA-N 1 2 218.260 1.517 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC001171319520 973799354 /nfs/dbraw/zinc/79/93/54/973799354.db2.gz IPHFXRLEDXBHOM-OPRDCNLKSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC001171319520 973799369 /nfs/dbraw/zinc/79/93/69/973799369.db2.gz IPHFXRLEDXBHOM-OPRDCNLKSA-N 1 2 241.360 1.549 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)Cc2ccncc2)no1 ZINC001256735619 970963234 /nfs/dbraw/zinc/96/32/34/970963234.db2.gz HSUIIRUYJHODGD-SNVBAGLBSA-N 1 2 246.314 1.836 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)Cc2ccncc2)no1 ZINC001256735619 970963243 /nfs/dbraw/zinc/96/32/43/970963243.db2.gz HSUIIRUYJHODGD-SNVBAGLBSA-N 1 2 246.314 1.836 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)Cc2ccncc2)CC1=O ZINC001256744953 970980868 /nfs/dbraw/zinc/98/08/68/970980868.db2.gz CUPOTJODQWAZLL-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@H+]([C@H](C)Cc2ccncc2)CC1=O ZINC001256744953 970980880 /nfs/dbraw/zinc/98/08/80/970980880.db2.gz CUPOTJODQWAZLL-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO COC(=O)c1cc(OC)nc(C2=C[NH2+]CCC2)c1 ZINC001243948167 971031333 /nfs/dbraw/zinc/03/13/33/971031333.db2.gz WHFAOQMKCBFMBD-UHFFFAOYSA-N 1 2 248.282 1.601 20 0 BDADLO COC(=O)c1cnc(C2=C[NH2+]CCC2)cc1C ZINC001243947273 971036157 /nfs/dbraw/zinc/03/61/57/971036157.db2.gz GCMDNWXTVURYQH-UHFFFAOYSA-N 1 2 232.283 1.901 20 0 BDADLO C=Cc1ccc(NCCn2cnnc2)[nH+]c1 ZINC001158039666 971037910 /nfs/dbraw/zinc/03/79/10/971037910.db2.gz OQBGFHYDJMVODK-UHFFFAOYSA-N 1 2 215.260 1.428 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000403743312 971045943 /nfs/dbraw/zinc/04/59/43/971045943.db2.gz MYQBJJWYWIXPND-TUAOUCFPSA-N 1 2 245.326 1.547 20 0 BDADLO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)C[C@H](C)O1 ZINC001257100528 971116943 /nfs/dbraw/zinc/11/69/43/971116943.db2.gz XJWYZFAKAZMDCK-VLEAKVRGSA-N 1 2 249.301 1.644 20 0 BDADLO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](O)C(F)(F)C2)C[C@H](C)O1 ZINC001257100528 971116946 /nfs/dbraw/zinc/11/69/46/971116946.db2.gz XJWYZFAKAZMDCK-VLEAKVRGSA-N 1 2 249.301 1.644 20 0 BDADLO C/C(=C\C=C\[NH3+])NCc1nccc(Cl)n1 ZINC001170546303 971153195 /nfs/dbraw/zinc/15/31/95/971153195.db2.gz OGXSWRZLPXTZPJ-QKVOYMTASA-N 1 2 224.695 1.596 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCn3ccnc32)sn1 ZINC000404385343 971158932 /nfs/dbraw/zinc/15/89/32/971158932.db2.gz XGBBMCJVSZVWIL-SECBINFHSA-N 1 2 220.301 1.574 20 0 BDADLO CCC(CC)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001257290506 971175387 /nfs/dbraw/zinc/17/53/87/971175387.db2.gz ZHJLWYVUQUCNEO-JTQLQIEISA-N 1 2 231.336 1.467 20 0 BDADLO CC(C)[N@H+](CCCO)Cc1csnn1 ZINC000308470077 971250171 /nfs/dbraw/zinc/25/01/71/971250171.db2.gz BKAWLWQYAYMDBZ-UHFFFAOYSA-N 1 2 215.322 1.131 20 0 BDADLO CC(C)[N@@H+](CCCO)Cc1csnn1 ZINC000308470077 971250177 /nfs/dbraw/zinc/25/01/77/971250177.db2.gz BKAWLWQYAYMDBZ-UHFFFAOYSA-N 1 2 215.322 1.131 20 0 BDADLO CC(C)(C)Cc1nnc([C@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217694913 971329778 /nfs/dbraw/zinc/32/97/78/971329778.db2.gz FYTHGFVBBJBXHY-RKDXNWHRSA-N 1 2 239.319 1.444 20 0 BDADLO C[NH2+][C@@H](CC(=O)OC(C)(C)C)c1nnc(C)o1 ZINC001217719208 971357392 /nfs/dbraw/zinc/35/73/92/971357392.db2.gz XPFJIULAVKIIRJ-QMMMGPOBSA-N 1 2 241.291 1.370 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)n(C)n1 ZINC001332003755 971456579 /nfs/dbraw/zinc/45/65/79/971456579.db2.gz HINDDPHYUFBZCB-QMMMGPOBSA-N 1 2 234.307 1.006 20 0 BDADLO Nc1cccnc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218009061 971567456 /nfs/dbraw/zinc/56/74/56/971567456.db2.gz FBYOTCDAGSNGBB-MRVPVSSYSA-N 1 2 229.230 1.040 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170709047 971605508 /nfs/dbraw/zinc/60/55/08/971605508.db2.gz ATWDRHWYQILGOT-OWUUHHOZSA-N 1 2 223.316 1.716 20 0 BDADLO COC(=O)C1([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170709045 971608831 /nfs/dbraw/zinc/60/88/31/971608831.db2.gz ATWDRHWYQILGOT-ILWJIGKKSA-N 1 2 223.316 1.716 20 0 BDADLO COC(=O)[C@H](CCO)Oc1c(C)cc[nH+]c1C ZINC001218217956 971636159 /nfs/dbraw/zinc/63/61/59/971636159.db2.gz MVVLGZMUXXEYPA-JTQLQIEISA-N 1 2 239.271 1.001 20 0 BDADLO Cc1c[nH+]c(N2CCN(C#N)CC2)c(C)c1 ZINC001159102062 971680703 /nfs/dbraw/zinc/68/07/03/971680703.db2.gz LJUGMFKRCGFYEL-UHFFFAOYSA-N 1 2 216.288 1.302 20 0 BDADLO CCOC(=[NH2+])c1ccc(O[C@H]2C[C@@H](O)C2)cc1 ZINC001218423967 971801342 /nfs/dbraw/zinc/80/13/42/971801342.db2.gz RJZKTRPHJPNQRA-KLPPZKSPSA-N 1 2 235.283 1.951 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCOCC2)no1 ZINC001170808099 971866508 /nfs/dbraw/zinc/86/65/08/971866508.db2.gz GPVIDDLDOFXGFT-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCCOCC2)no1 ZINC001170808099 971866510 /nfs/dbraw/zinc/86/65/10/971866510.db2.gz GPVIDDLDOFXGFT-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO C[C@H]1COCC[C@@H]1[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001170821815 971909423 /nfs/dbraw/zinc/90/94/23/971909423.db2.gz YNMKPVNVODUFBB-WPRPVWTQSA-N 1 2 247.298 1.413 20 0 BDADLO Cc1cc(C)c(NC(=O)C2(F)C[NH2+]C2)cc1C ZINC001219007076 971973697 /nfs/dbraw/zinc/97/36/97/971973697.db2.gz GDIGEJZFDFKPAE-UHFFFAOYSA-N 1 2 236.290 1.862 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCOc2ccccc21 ZINC001135973165 972016286 /nfs/dbraw/zinc/01/62/86/972016286.db2.gz PLJMSXQIRFZHNZ-GFCCVEGCSA-N 1 2 246.310 1.506 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CCOc2ccccc21 ZINC001135973165 972016295 /nfs/dbraw/zinc/01/62/95/972016295.db2.gz PLJMSXQIRFZHNZ-GFCCVEGCSA-N 1 2 246.310 1.506 20 0 BDADLO c1c[nH]c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000190593586 972035807 /nfs/dbraw/zinc/03/58/07/972035807.db2.gz XJWDVHTZNGXYRR-UHFFFAOYSA-N 1 2 243.314 1.127 20 0 BDADLO C[C@H]1CCCC[C@H]1CNC(=O)C1(F)C[NH2+]C1 ZINC001219673649 972076534 /nfs/dbraw/zinc/07/65/34/972076534.db2.gz LVCHTFKGRPGGQL-UWVGGRQHSA-N 1 2 228.311 1.240 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC000191965580 972117347 /nfs/dbraw/zinc/11/73/47/972117347.db2.gz YONWENOJEWJYQV-DBIOUOCHSA-N 1 2 229.320 1.077 20 0 BDADLO CC[NH+](CC)Cc1nc(Br)nn1C ZINC000214477195 956882818 /nfs/dbraw/zinc/88/28/18/956882818.db2.gz GPODHKNPMNOALN-UHFFFAOYSA-N 1 2 247.140 1.419 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000705275121 957026533 /nfs/dbraw/zinc/02/65/33/957026533.db2.gz FNZCEYNIZNQTIE-WCBMZHEXSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000705275121 957026545 /nfs/dbraw/zinc/02/65/45/957026545.db2.gz FNZCEYNIZNQTIE-WCBMZHEXSA-N 1 2 241.722 1.475 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]1C ZINC001136710594 972244593 /nfs/dbraw/zinc/24/45/93/972244593.db2.gz RGTKJKAXTIWJAO-PSASIEDQSA-N 1 2 221.304 1.565 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3cccnn3)C2)C1 ZINC001139969614 957172382 /nfs/dbraw/zinc/17/23/82/957172382.db2.gz BPEMZTPCILZBQI-UHFFFAOYSA-N 1 2 225.242 1.708 20 0 BDADLO CC1(C[NH+]2CC(S(C)(=O)=O)C2)CCCCC1 ZINC001208897684 957218339 /nfs/dbraw/zinc/21/83/39/957218339.db2.gz DNLXHPODZAEVOS-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO CCn1cccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001345622759 957295304 /nfs/dbraw/zinc/29/53/04/957295304.db2.gz NPSZLEKEKJWSIV-NSHDSACASA-N 1 2 246.314 1.523 20 0 BDADLO CCC(=O)NCC[N@@H+](CC)Cc1ccns1 ZINC001266371905 957402388 /nfs/dbraw/zinc/40/23/88/957402388.db2.gz LLLWVYRYCHKQGQ-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO CCC(=O)NCC[N@H+](CC)Cc1ccns1 ZINC001266371905 957402400 /nfs/dbraw/zinc/40/24/00/957402400.db2.gz LLLWVYRYCHKQGQ-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001167215338 957547874 /nfs/dbraw/zinc/54/78/74/957547874.db2.gz PBJOSJSFYODEMG-STQMWFEESA-N 1 2 248.326 1.843 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001167215333 957549146 /nfs/dbraw/zinc/54/91/46/957549146.db2.gz PBJOSJSFYODEMG-CHWSQXEVSA-N 1 2 248.326 1.843 20 0 BDADLO c1ncc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)[nH]1 ZINC001136866337 972283370 /nfs/dbraw/zinc/28/33/70/972283370.db2.gz RPRGKFQBEMYTEJ-ZYHUDNBSSA-N 1 2 221.304 1.411 20 0 BDADLO CNc1ccc(NCc2cccnn2)c[nH+]1 ZINC001167327715 957766928 /nfs/dbraw/zinc/76/69/28/957766928.db2.gz NARPIIOTFLALNZ-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO CCCO[C@H]1CC[N@@H+](CC(=O)OCC)C1 ZINC000706433360 957850520 /nfs/dbraw/zinc/85/05/20/957850520.db2.gz FQQBOFKCVIFFNC-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCCO[C@H]1CC[N@H+](CC(=O)OCC)C1 ZINC000706433360 957850515 /nfs/dbraw/zinc/85/05/15/957850515.db2.gz FQQBOFKCVIFFNC-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)c1c(C[N@@H+]2CC[C@H]2C)cnn1C ZINC001136903057 972297387 /nfs/dbraw/zinc/29/73/87/972297387.db2.gz UEPOCLLUSVRWTH-SECBINFHSA-N 1 2 237.303 1.191 20 0 BDADLO CCOC(=O)c1c(C[N@H+]2CC[C@H]2C)cnn1C ZINC001136903057 972297389 /nfs/dbraw/zinc/29/73/89/972297389.db2.gz UEPOCLLUSVRWTH-SECBINFHSA-N 1 2 237.303 1.191 20 0 BDADLO CNc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907388 957871061 /nfs/dbraw/zinc/87/10/61/957871061.db2.gz DHYCCWKJMCNLGN-TXEJJXNPSA-N 1 2 233.315 1.487 20 0 BDADLO CNc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907388 957871066 /nfs/dbraw/zinc/87/10/66/957871066.db2.gz DHYCCWKJMCNLGN-TXEJJXNPSA-N 1 2 233.315 1.487 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cn1 ZINC001207075848 957922926 /nfs/dbraw/zinc/92/29/26/957922926.db2.gz AAQKXAYEZAUJOD-ZMLRMANQSA-N 1 2 221.279 1.575 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cn1 ZINC001207075848 957922942 /nfs/dbraw/zinc/92/29/42/957922942.db2.gz AAQKXAYEZAUJOD-ZMLRMANQSA-N 1 2 221.279 1.575 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001137564496 957945740 /nfs/dbraw/zinc/94/57/40/957945740.db2.gz MMLVQJBKZOYRQK-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001137564496 957945748 /nfs/dbraw/zinc/94/57/48/957945748.db2.gz MMLVQJBKZOYRQK-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccncn2)CCO1 ZINC001140349484 958275523 /nfs/dbraw/zinc/27/55/23/958275523.db2.gz JJXGUIMJCFHBQF-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccncn2)CCO1 ZINC001140349484 958275538 /nfs/dbraw/zinc/27/55/38/958275538.db2.gz JJXGUIMJCFHBQF-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO COc1cc(C[NH+]2CC(C)(CO)C2)ccc1F ZINC001204556705 958300489 /nfs/dbraw/zinc/30/04/89/958300489.db2.gz KBHBEYLGVYCPQQ-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)CCC1=O ZINC001137041045 972339267 /nfs/dbraw/zinc/33/92/67/972339267.db2.gz GWABOIDFUKQOBC-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCC1=O ZINC001137041045 972339269 /nfs/dbraw/zinc/33/92/69/972339269.db2.gz GWABOIDFUKQOBC-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\[C@@H]2CCCO2)o1 ZINC001327000823 972357727 /nfs/dbraw/zinc/35/77/27/972357727.db2.gz NUUZHETYNXBEGP-UDIARPCQSA-N 1 2 223.276 1.323 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000588484850 958748837 /nfs/dbraw/zinc/74/88/37/958748837.db2.gz QMZDKKOGUJLZRT-OODOAVRDSA-N 1 2 217.696 1.230 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000588484850 958748870 /nfs/dbraw/zinc/74/88/70/958748870.db2.gz QMZDKKOGUJLZRT-OODOAVRDSA-N 1 2 217.696 1.230 20 0 BDADLO COC(C[N@@H+]1Cc2ccc(F)cc2C1)OC ZINC001207252901 958763345 /nfs/dbraw/zinc/76/33/45/958763345.db2.gz DXENZQMCHHWEMF-UHFFFAOYSA-N 1 2 225.263 1.760 20 0 BDADLO COC(C[N@H+]1Cc2ccc(F)cc2C1)OC ZINC001207252901 958763360 /nfs/dbraw/zinc/76/33/60/958763360.db2.gz DXENZQMCHHWEMF-UHFFFAOYSA-N 1 2 225.263 1.760 20 0 BDADLO C[C@H]1OCC[C@H]1COCCn1cc[nH+]c1 ZINC001222129196 972378386 /nfs/dbraw/zinc/37/83/86/972378386.db2.gz MUKSNLXLLSCXBQ-MNOVXSKESA-N 1 2 210.277 1.325 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H]1F ZINC001143431987 958820792 /nfs/dbraw/zinc/82/07/92/958820792.db2.gz POIVDPQFKMQRRY-IUCAKERBSA-N 1 2 219.219 1.631 20 0 BDADLO F[C@@H]1COCC[C@H]1OCCn1cc[nH+]c1 ZINC001222139960 972387986 /nfs/dbraw/zinc/38/79/86/972387986.db2.gz ZFHVZXFRGQMKPC-NXEZZACHSA-N 1 2 214.240 1.027 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)c(C)n1 ZINC000087152352 959016900 /nfs/dbraw/zinc/01/69/00/959016900.db2.gz HJULJEFELQABHV-JTQLQIEISA-N 1 2 237.328 1.299 20 0 BDADLO COc1cnc(NCc2cc[nH+]c(N)c2)nc1C ZINC001167611700 959060525 /nfs/dbraw/zinc/06/05/25/959060525.db2.gz AQOLKNYETJUABK-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO Nc1cc(CNc2cccc3ncnn32)cc[nH+]1 ZINC001167616903 959081312 /nfs/dbraw/zinc/08/13/12/959081312.db2.gz CCVHZGASDWFTJO-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO CCc1ncncc1NCc1cc[nH+]c(N)c1 ZINC001167616354 959084631 /nfs/dbraw/zinc/08/46/31/959084631.db2.gz HLPKXZXVHQFFEY-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO Nc1cc(CNc2ncc(CF)cn2)cc[nH+]1 ZINC001167617302 959084799 /nfs/dbraw/zinc/08/47/99/959084799.db2.gz NQWRSBVJTUSVKA-UHFFFAOYSA-N 1 2 233.250 1.535 20 0 BDADLO Cc1nc(NC[C@H](C)N(C)C(=O)C2CC2)cc[nH+]1 ZINC001104457679 959272736 /nfs/dbraw/zinc/27/27/36/959272736.db2.gz NHHZUTCEOKLJHK-VIFPVBQESA-N 1 2 248.330 1.454 20 0 BDADLO C/C=C(\C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001143943390 972417813 /nfs/dbraw/zinc/41/78/13/972417813.db2.gz UZBZVSIZURMEQH-XCVCLJGOSA-N 1 2 219.288 1.234 20 0 BDADLO CC[C@H](C(=O)OC)[NH+]1CCC(F)(F)CC1 ZINC000695090402 960093210 /nfs/dbraw/zinc/09/32/10/960093210.db2.gz INXOLKBYYVDDKA-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141012394 960200877 /nfs/dbraw/zinc/20/08/77/960200877.db2.gz KEYGQDQLUXAJCT-MRVPVSSYSA-N 1 2 249.236 1.385 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141012394 960200886 /nfs/dbraw/zinc/20/08/86/960200886.db2.gz KEYGQDQLUXAJCT-MRVPVSSYSA-N 1 2 249.236 1.385 20 0 BDADLO CC[NH2+][C@@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001267805241 960381113 /nfs/dbraw/zinc/38/11/13/960381113.db2.gz OKLNCYSTQBKFKS-BQBZGAKWSA-N 1 2 244.232 1.391 20 0 BDADLO CC[NH2+][C@@H](CC)CNC(=O)[C@H](F)C(F)(F)F ZINC001267805241 960381118 /nfs/dbraw/zinc/38/11/18/960381118.db2.gz OKLNCYSTQBKFKS-BQBZGAKWSA-N 1 2 244.232 1.391 20 0 BDADLO COc1ccc(C[NH+]2CC3(CCO3)C2)c(C)c1 ZINC001140676904 960486741 /nfs/dbraw/zinc/48/67/41/960486741.db2.gz PTNZPAYPQCYHNR-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1ccc(CO)o1)C2 ZINC001140684565 960498294 /nfs/dbraw/zinc/49/82/94/960498294.db2.gz ONUYWPXOGKBYKV-UHFFFAOYSA-N 1 2 247.298 1.064 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1ccc(CO)o1)C2 ZINC001140684565 960498300 /nfs/dbraw/zinc/49/83/00/960498300.db2.gz ONUYWPXOGKBYKV-UHFFFAOYSA-N 1 2 247.298 1.064 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccc(OC)n1)C2 ZINC001137534411 960537014 /nfs/dbraw/zinc/53/70/14/960537014.db2.gz XKWVHEURICOSNW-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccc(OC)n1)C2 ZINC001137534411 960537033 /nfs/dbraw/zinc/53/70/33/960537033.db2.gz XKWVHEURICOSNW-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3c(ncn3C)C2)c1C ZINC001140861908 960641954 /nfs/dbraw/zinc/64/19/54/960641954.db2.gz SWCJTZCYACJQKE-UHFFFAOYSA-N 1 2 244.342 1.923 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3c(ncn3C)C2)c1C ZINC001140861908 960641972 /nfs/dbraw/zinc/64/19/72/960641972.db2.gz SWCJTZCYACJQKE-UHFFFAOYSA-N 1 2 244.342 1.923 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140887962 960668712 /nfs/dbraw/zinc/66/87/12/960668712.db2.gz KHQBMBRFWMVTTE-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1ccc(O)c(F)c1F ZINC001140887962 960668720 /nfs/dbraw/zinc/66/87/20/960668720.db2.gz KHQBMBRFWMVTTE-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)[nH]n1 ZINC001203077476 960687121 /nfs/dbraw/zinc/68/71/21/960687121.db2.gz ZQASMYYUUWVEOP-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)[nH]n1 ZINC001203077476 960687125 /nfs/dbraw/zinc/68/71/25/960687125.db2.gz ZQASMYYUUWVEOP-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO C[N@H+](Cc1cnco1)Cc1cccnc1 ZINC001140927202 960689405 /nfs/dbraw/zinc/68/94/05/960689405.db2.gz IYVDWDZQCCUAIG-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1cnco1)Cc1cccnc1 ZINC001140927202 960689410 /nfs/dbraw/zinc/68/94/10/960689410.db2.gz IYVDWDZQCCUAIG-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001143511887 960702092 /nfs/dbraw/zinc/70/20/92/960702092.db2.gz AGTSTWUSYPECCH-QWRGUYRKSA-N 1 2 245.326 1.916 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001140935006 960717567 /nfs/dbraw/zinc/71/75/67/960717567.db2.gz ICIFSCJCIMFOGH-PSASIEDQSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001140935006 960717572 /nfs/dbraw/zinc/71/75/72/960717572.db2.gz ICIFSCJCIMFOGH-PSASIEDQSA-N 1 2 209.268 1.717 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1nccnc1C)C2 ZINC001140938278 960724130 /nfs/dbraw/zinc/72/41/30/960724130.db2.gz IDWFHUXPKQYUEY-AAEUAGOBSA-N 1 2 233.315 1.538 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1nccnc1C)C2 ZINC001140938278 960724142 /nfs/dbraw/zinc/72/41/42/960724142.db2.gz IDWFHUXPKQYUEY-AAEUAGOBSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)n[nH]1 ZINC001203081138 960736066 /nfs/dbraw/zinc/73/60/66/960736066.db2.gz LVUPJQIUMCEEQZ-ZDUSSCGKSA-N 1 2 249.314 1.390 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)n[nH]1 ZINC001203081138 960736084 /nfs/dbraw/zinc/73/60/84/960736084.db2.gz LVUPJQIUMCEEQZ-ZDUSSCGKSA-N 1 2 249.314 1.390 20 0 BDADLO CCOCC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203082283 960754292 /nfs/dbraw/zinc/75/42/92/960754292.db2.gz OPBIWJRBZHFKSB-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C(C)C)[nH]n1 ZINC001203081648 960758790 /nfs/dbraw/zinc/75/87/90/960758790.db2.gz YQABQPGOOWATDB-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C(C)C)[nH]n1 ZINC001203081648 960758807 /nfs/dbraw/zinc/75/88/07/960758807.db2.gz YQABQPGOOWATDB-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO CC[N@H+](Cc1cc(F)c(O)c(F)c1)C1COC1 ZINC001140991365 960778939 /nfs/dbraw/zinc/77/89/39/960778939.db2.gz OETOSZZEJUDLPU-UHFFFAOYSA-N 1 2 243.253 1.891 20 0 BDADLO CC[N@@H+](Cc1cc(F)c(O)c(F)c1)C1COC1 ZINC001140991365 960778953 /nfs/dbraw/zinc/77/89/53/960778953.db2.gz OETOSZZEJUDLPU-UHFFFAOYSA-N 1 2 243.253 1.891 20 0 BDADLO Cn1cnnc1C1CC[NH+](Cc2ncco2)CC1 ZINC001141010705 960811176 /nfs/dbraw/zinc/81/11/76/960811176.db2.gz FEVKBGQWEGFHLG-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO c1coc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)n1 ZINC001141010854 960814091 /nfs/dbraw/zinc/81/40/91/960814091.db2.gz JAUBMDYTPYNBCO-GFCCVEGCSA-N 1 2 245.282 1.723 20 0 BDADLO c1coc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)n1 ZINC001141010854 960814103 /nfs/dbraw/zinc/81/41/03/960814103.db2.gz JAUBMDYTPYNBCO-GFCCVEGCSA-N 1 2 245.282 1.723 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccn3ccnc3c2)C1 ZINC001141047619 960836318 /nfs/dbraw/zinc/83/63/18/960836318.db2.gz NIPISGBOVBPRHC-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccn3ccnc3c2)C1 ZINC001141047619 960836319 /nfs/dbraw/zinc/83/63/19/960836319.db2.gz NIPISGBOVBPRHC-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2cocn2)CC12CC2 ZINC001141132101 960882412 /nfs/dbraw/zinc/88/24/12/960882412.db2.gz UDBBAOPBTJEGNP-SNVBAGLBSA-N 1 2 236.271 1.060 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2cocn2)CC12CC2 ZINC001141132101 960882423 /nfs/dbraw/zinc/88/24/23/960882423.db2.gz UDBBAOPBTJEGNP-SNVBAGLBSA-N 1 2 236.271 1.060 20 0 BDADLO O=C1OCCC12CC[NH+](Cc1cocn1)CC2 ZINC001141132488 960886439 /nfs/dbraw/zinc/88/64/39/960886439.db2.gz NPIRUVSBGXXOQC-UHFFFAOYSA-N 1 2 236.271 1.204 20 0 BDADLO CNc1ccc(NC2(CO)CCCC2)c[nH+]1 ZINC001167804389 961056082 /nfs/dbraw/zinc/05/60/82/961056082.db2.gz GTYRRJMVBAPLMS-UHFFFAOYSA-N 1 2 221.304 1.840 20 0 BDADLO C[C@@H]1CC[N@@H+]1Cc1cn2c(n1)COCC2 ZINC001141526896 961096951 /nfs/dbraw/zinc/09/69/51/961096951.db2.gz PRKQQLYCBNMIEV-SECBINFHSA-N 1 2 207.277 1.008 20 0 BDADLO C[C@@H]1CC[N@H+]1Cc1cn2c(n1)COCC2 ZINC001141526896 961096973 /nfs/dbraw/zinc/09/69/73/961096973.db2.gz PRKQQLYCBNMIEV-SECBINFHSA-N 1 2 207.277 1.008 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1F ZINC001142174009 961317138 /nfs/dbraw/zinc/31/71/38/961317138.db2.gz XFDOMIYQWZNBHU-NXEZZACHSA-N 1 2 239.294 1.739 20 0 BDADLO COCCCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001142422389 961438370 /nfs/dbraw/zinc/43/83/70/961438370.db2.gz FQAZQNNZZWVFQK-NSHDSACASA-N 1 2 239.319 1.329 20 0 BDADLO CCC(C)(CC)C(=O)NCC1C[NH+](CCF)C1 ZINC001481661356 961539956 /nfs/dbraw/zinc/53/99/56/961539956.db2.gz OITHKJAYGLGULM-UHFFFAOYSA-N 1 2 244.354 1.830 20 0 BDADLO Cc1nc(N[C@@H]2CCN(C)C2=O)cc(C(C)C)[nH+]1 ZINC000709786648 961572960 /nfs/dbraw/zinc/57/29/60/961572960.db2.gz MEJUPPLLDCXUNX-SNVBAGLBSA-N 1 2 248.330 1.551 20 0 BDADLO COC1(C)C[NH+](Cc2cccc3nc[nH]c32)C1 ZINC001142672638 961578439 /nfs/dbraw/zinc/57/84/39/961578439.db2.gz HFJDWJVXGLXXQL-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO C[N@H+](Cc1cccn2ccnc12)C1(C)COC1 ZINC001142962299 961858899 /nfs/dbraw/zinc/85/88/99/961858899.db2.gz WSOGLZNNYKMPSR-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1cccn2ccnc12)C1(C)COC1 ZINC001142962299 961858907 /nfs/dbraw/zinc/85/89/07/961858907.db2.gz WSOGLZNNYKMPSR-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO c1cn2cc(CN3CC4(CCO4)C3)ccc2[nH+]1 ZINC001143027826 961867642 /nfs/dbraw/zinc/86/76/42/961867642.db2.gz SNOJSRNYCOQNSQ-UHFFFAOYSA-N 1 2 229.283 1.309 20 0 BDADLO c1cn2cc(CN3CCC34COC4)ccc2[nH+]1 ZINC001143029000 961870632 /nfs/dbraw/zinc/87/06/32/961870632.db2.gz MSCJVLYQEZQOKY-UHFFFAOYSA-N 1 2 229.283 1.309 20 0 BDADLO COc1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001225215506 961872786 /nfs/dbraw/zinc/87/27/86/961872786.db2.gz NLTRSJSSCYDKHO-LLVKDONJSA-N 1 2 237.299 1.405 20 0 BDADLO COc1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001225215506 961872787 /nfs/dbraw/zinc/87/27/87/961872787.db2.gz NLTRSJSSCYDKHO-LLVKDONJSA-N 1 2 237.299 1.405 20 0 BDADLO CC(C)([NH2+]C[C@H]1COC(C)(C)O1)C(F)F ZINC000894148944 961971310 /nfs/dbraw/zinc/97/13/10/961971310.db2.gz RUHMOXXMVOUYBT-ZETCQYMHSA-N 1 2 223.263 1.771 20 0 BDADLO C[NH+]1CC(NC(=O)c2nccc3ccccc32)C1 ZINC001149151744 962037060 /nfs/dbraw/zinc/03/70/60/962037060.db2.gz JGRJMBLCEVJISK-UHFFFAOYSA-N 1 2 241.294 1.279 20 0 BDADLO CC[C@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)CCO1 ZINC000045880559 962079399 /nfs/dbraw/zinc/07/93/99/962079399.db2.gz HZCGVCISKPNOGQ-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CC[C@H](SC)C(=O)NCC1C[NH+](CCF)C1 ZINC001268818148 962348188 /nfs/dbraw/zinc/34/81/88/962348188.db2.gz GPVVTFFSBHIJHU-JTQLQIEISA-N 1 2 248.367 1.146 20 0 BDADLO N[C@@H]1C[N@H+](CCC(F)(F)F)CCC1(F)F ZINC001206648188 962610544 /nfs/dbraw/zinc/61/05/44/962610544.db2.gz MJPLYAPBBJGYFU-ZCFIWIBFSA-N 1 2 232.196 1.607 20 0 BDADLO N[C@@H]1C[N@@H+](CCC(F)(F)F)CCC1(F)F ZINC001206648188 962610558 /nfs/dbraw/zinc/61/05/58/962610558.db2.gz MJPLYAPBBJGYFU-ZCFIWIBFSA-N 1 2 232.196 1.607 20 0 BDADLO CC(=O)NCC1([NH2+]Cc2nc(C)c(C)o2)CC1 ZINC001269356671 962611707 /nfs/dbraw/zinc/61/17/07/962611707.db2.gz SOZJBHADUYTARF-UHFFFAOYSA-N 1 2 237.303 1.050 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)C(=O)NCc1ccco1 ZINC000049441461 962612256 /nfs/dbraw/zinc/61/22/56/962612256.db2.gz HMAWICSISAMPPT-SNVBAGLBSA-N 1 2 245.282 1.791 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@H+]3C)C2)cc(C)n1 ZINC001269550165 962711455 /nfs/dbraw/zinc/71/14/55/962711455.db2.gz NZZCNYGEUPOVLS-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@@H+]3C)C2)cc(C)n1 ZINC001269550165 962711467 /nfs/dbraw/zinc/71/14/67/962711467.db2.gz NZZCNYGEUPOVLS-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001154130718 962718883 /nfs/dbraw/zinc/71/88/83/962718883.db2.gz DSYMRWSFEIUZIG-TUAOUCFPSA-N 1 2 247.342 1.515 20 0 BDADLO CN(CC1COC1)C(=O)c1cccc2[nH+]ccn21 ZINC001154521445 962792233 /nfs/dbraw/zinc/79/22/33/962792233.db2.gz FBUQNEUNSVOMGU-UHFFFAOYSA-N 1 2 245.282 1.053 20 0 BDADLO CC[C@H](F)C(=O)N(C)C1C[NH+](CC=C(C)C)C1 ZINC001269831145 962800357 /nfs/dbraw/zinc/80/03/57/962800357.db2.gz DKUIOHMECKBTQI-LBPRGKRZSA-N 1 2 242.338 1.843 20 0 BDADLO CSc1cc[nH+]c(NCC2COC2)c1 ZINC001154638400 962823809 /nfs/dbraw/zinc/82/38/09/962823809.db2.gz WTHANPSZENRPND-UHFFFAOYSA-N 1 2 210.302 1.862 20 0 BDADLO CCc1coc(CNc2cc(N)nc[nH+]2)n1 ZINC001154779914 962847375 /nfs/dbraw/zinc/84/73/75/962847375.db2.gz UQTOLLDKTBXMCY-UHFFFAOYSA-N 1 2 219.248 1.221 20 0 BDADLO COc1ccc[nH+]c1NCc1cnoc1C ZINC001154884712 962884457 /nfs/dbraw/zinc/88/44/57/962884457.db2.gz VAMKCJGUSXNKBA-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CCc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)cn1 ZINC001270223431 962909788 /nfs/dbraw/zinc/90/97/88/962909788.db2.gz OYUMQJDJOMFVGS-UHFFFAOYSA-N 1 2 245.326 1.174 20 0 BDADLO CCc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)cn1 ZINC001270223431 962909804 /nfs/dbraw/zinc/90/98/04/962909804.db2.gz OYUMQJDJOMFVGS-UHFFFAOYSA-N 1 2 245.326 1.174 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H]1CCO ZINC000303741063 963078367 /nfs/dbraw/zinc/07/83/67/963078367.db2.gz GPCUQLHEGBWCKA-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H]1CCO ZINC000303741063 963078382 /nfs/dbraw/zinc/07/83/82/963078382.db2.gz GPCUQLHEGBWCKA-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cn1 ZINC001204969859 963107630 /nfs/dbraw/zinc/10/76/30/963107630.db2.gz GVGBRGPFEZANJA-QWHCGFSZSA-N 1 2 247.342 1.754 20 0 BDADLO Cn1cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cn1 ZINC001204969859 963107637 /nfs/dbraw/zinc/10/76/37/963107637.db2.gz GVGBRGPFEZANJA-QWHCGFSZSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1nonc1CNc1[nH+]ccc(F)c1C ZINC001156084883 963251588 /nfs/dbraw/zinc/25/15/88/963251588.db2.gz BXBFYAOIDPWJAC-UHFFFAOYSA-N 1 2 222.223 1.833 20 0 BDADLO Cc1nonc1CNc1cc(N)cc(Cl)[nH+]1 ZINC001156085376 963254256 /nfs/dbraw/zinc/25/42/56/963254256.db2.gz JURMCCXFQNQLHM-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO CCOc1ccc[nH+]c1NCc1nonc1C ZINC001156090349 963260231 /nfs/dbraw/zinc/26/02/31/963260231.db2.gz KEPGTDYOHFJBFK-UHFFFAOYSA-N 1 2 234.259 1.784 20 0 BDADLO Cc1nc(N2CC(=O)N(C)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC001156190180 963283857 /nfs/dbraw/zinc/28/38/57/963283857.db2.gz HAPLMYNHEJUUQU-QMMMGPOBSA-N 1 2 248.330 1.069 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)C2(CC2)C1 ZINC001156401562 963332772 /nfs/dbraw/zinc/33/27/72/963332772.db2.gz IBLNVJCMJCBUDO-SNVBAGLBSA-N 1 2 232.331 1.921 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)C2(CC2)C1 ZINC001156401562 963332781 /nfs/dbraw/zinc/33/27/81/963332781.db2.gz IBLNVJCMJCBUDO-SNVBAGLBSA-N 1 2 232.331 1.921 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CCCCO2)c[nH+]1 ZINC001156537912 963379670 /nfs/dbraw/zinc/37/96/70/963379670.db2.gz COZKGVKAIRNKGA-SNVBAGLBSA-N 1 2 237.303 1.157 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CCCCO2)[nH+]1 ZINC001156537912 963379681 /nfs/dbraw/zinc/37/96/81/963379681.db2.gz COZKGVKAIRNKGA-SNVBAGLBSA-N 1 2 237.303 1.157 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CO[C@H](C)C2)c[nH+]1 ZINC001156538385 963381644 /nfs/dbraw/zinc/38/16/44/963381644.db2.gz SRXKSNRNWNNBOM-RKDXNWHRSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CO[C@H](C)C2)[nH+]1 ZINC001156538385 963381654 /nfs/dbraw/zinc/38/16/54/963381654.db2.gz SRXKSNRNWNNBOM-RKDXNWHRSA-N 1 2 237.303 1.013 20 0 BDADLO COC(=O)c1c(C)cc(C)[nH+]c1NC1CC(=O)C1 ZINC001156616659 963414349 /nfs/dbraw/zinc/41/43/49/963414349.db2.gz OBUZFBBKHGVYBJ-UHFFFAOYSA-N 1 2 248.282 1.628 20 0 BDADLO c1nc(C[NH+]2CC(C3COC3)C2)cs1 ZINC001137591412 963436577 /nfs/dbraw/zinc/43/65/77/963436577.db2.gz PZYYOQCKAOITPZ-UHFFFAOYSA-N 1 2 210.302 1.221 20 0 BDADLO COCc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156761751 963455048 /nfs/dbraw/zinc/45/50/48/963455048.db2.gz VTMKKEMCEYMPFW-UHFFFAOYSA-N 1 2 244.298 1.817 20 0 BDADLO CC[C@@H](F)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156897038 963485911 /nfs/dbraw/zinc/48/59/11/963485911.db2.gz HAVHUNDHOPEWAE-MRVPVSSYSA-N 1 2 239.294 1.653 20 0 BDADLO Nc1[nH]c2cc(C(=O)N3CCCCO3)ccc2[nH+]1 ZINC001156963702 963502492 /nfs/dbraw/zinc/50/24/92/963502492.db2.gz DRTRPAYQKSGLJW-UHFFFAOYSA-N 1 2 246.270 1.313 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccnc1NC ZINC000052721767 963518431 /nfs/dbraw/zinc/51/84/31/963518431.db2.gz AAOBUVSYPQYGML-GFCCVEGCSA-N 1 2 235.331 1.734 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccnc1NC ZINC000052721767 963518441 /nfs/dbraw/zinc/51/84/41/963518441.db2.gz AAOBUVSYPQYGML-GFCCVEGCSA-N 1 2 235.331 1.734 20 0 BDADLO Cc1noc(-c2ccnc(NC=[NH2+])c2)n1 ZINC001157080294 963524989 /nfs/dbraw/zinc/52/49/89/963524989.db2.gz RLSFTQKDESLTQS-UHFFFAOYSA-N 1 2 203.205 1.459 20 0 BDADLO CC[C@H](C)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001157237675 963560681 /nfs/dbraw/zinc/56/06/81/963560681.db2.gz IXZPLMYKUWCEFD-JTQLQIEISA-N 1 2 231.303 1.932 20 0 BDADLO CC(C)(C)c1ccc(NC2(CO)COC2)[nH+]c1 ZINC001157396881 963598015 /nfs/dbraw/zinc/59/80/15/963598015.db2.gz LCTFKKGVMVQELU-UHFFFAOYSA-N 1 2 236.315 1.552 20 0 BDADLO CCc1nccnc1N(CC)CCn1cc[nH+]c1 ZINC001157462424 963620338 /nfs/dbraw/zinc/62/03/38/963620338.db2.gz HVHWGLBDJGNHTI-UHFFFAOYSA-N 1 2 245.330 1.762 20 0 BDADLO CCN(CC)c1cc(NCC2CC(=O)C2)[nH+]cn1 ZINC001157609640 963676692 /nfs/dbraw/zinc/67/66/92/963676692.db2.gz XYWZCBORTLUYHC-UHFFFAOYSA-N 1 2 248.330 1.714 20 0 BDADLO CCN(CC)c1cc(NCC2CC(=O)C2)nc[nH+]1 ZINC001157609640 963676696 /nfs/dbraw/zinc/67/66/96/963676696.db2.gz XYWZCBORTLUYHC-UHFFFAOYSA-N 1 2 248.330 1.714 20 0 BDADLO C[NH+]1CC(Oc2nnc(Cl)c3ccccc32)C1 ZINC001228281281 963707514 /nfs/dbraw/zinc/70/75/14/963707514.db2.gz NXUNMZRAXIRJBC-UHFFFAOYSA-N 1 2 249.701 1.976 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168100949 963709187 /nfs/dbraw/zinc/70/91/87/963709187.db2.gz GBPZBMSTUCXJIJ-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO CCCCCOC(=O)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168106399 963729169 /nfs/dbraw/zinc/72/91/69/963729169.db2.gz ZEKPHWGESORRJJ-VXGBXAGGSA-N 1 2 243.347 1.877 20 0 BDADLO CC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098733484 963749897 /nfs/dbraw/zinc/74/98/97/963749897.db2.gz FLOAMFQQGWAXFC-QMMMGPOBSA-N 1 2 222.292 1.112 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC2(CCCOC2)CC1 ZINC001203212923 963767401 /nfs/dbraw/zinc/76/74/01/963767401.db2.gz YHFAOUXXCQDKOI-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO Nc1[nH+]cccc1CN(CCO)c1ccccc1 ZINC000714489943 963802533 /nfs/dbraw/zinc/80/25/33/963802533.db2.gz QUZGLQTYTLHDLK-UHFFFAOYSA-N 1 2 243.310 1.663 20 0 BDADLO CSc1c[nH+]c(NCCC(N)=O)c(C)c1 ZINC001158109627 963810744 /nfs/dbraw/zinc/81/07/44/963810744.db2.gz CVVSYCIEECGOQL-UHFFFAOYSA-N 1 2 225.317 1.399 20 0 BDADLO O=C1C[C@@H]([NH2+]C2(C(F)F)CC2)CCCN1 ZINC000697434430 963923203 /nfs/dbraw/zinc/92/32/03/963923203.db2.gz XBWMZGKBDIWJPX-ZETCQYMHSA-N 1 2 218.247 1.042 20 0 BDADLO CN(C)c1cc(NCCc2cncs2)[nH+]cn1 ZINC001158875419 963951288 /nfs/dbraw/zinc/95/12/88/963951288.db2.gz LDLOTMAJMPSQGE-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO CN(C)c1cc(NCCc2cncs2)nc[nH+]1 ZINC001158875419 963951293 /nfs/dbraw/zinc/95/12/93/963951293.db2.gz LDLOTMAJMPSQGE-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]1C1CC1 ZINC001158929440 963960297 /nfs/dbraw/zinc/96/02/97/963960297.db2.gz MRPYIJYTBJTTLY-LLVKDONJSA-N 1 2 219.288 1.353 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]1C1CC1 ZINC001158929440 963960306 /nfs/dbraw/zinc/96/03/06/963960306.db2.gz MRPYIJYTBJTTLY-LLVKDONJSA-N 1 2 219.288 1.353 20 0 BDADLO Cn1c[nH+]cc1CN1CC(Oc2ccccc2)C1 ZINC001204388002 964008402 /nfs/dbraw/zinc/00/84/02/964008402.db2.gz NTBCCTKQZBGHTP-UHFFFAOYSA-N 1 2 243.310 1.683 20 0 BDADLO COc1ccc(-c2noc(C[NH+]3CCC3)n2)cn1 ZINC001212095509 964250310 /nfs/dbraw/zinc/25/03/10/964250310.db2.gz LBHHTDLDMUAFQW-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc[nH+]c(CC)n1 ZINC001160891194 964436166 /nfs/dbraw/zinc/43/61/66/964436166.db2.gz CPWHWQLRWFOIRF-VIFPVBQESA-N 1 2 237.303 1.650 20 0 BDADLO CCC1(CNc2ccc3c([nH+]2)CCOC3)COC1 ZINC001168326871 964454422 /nfs/dbraw/zinc/45/44/22/964454422.db2.gz JIRLLPNLXLHBTG-UHFFFAOYSA-N 1 2 248.326 1.993 20 0 BDADLO Fc1cccnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319475 964570948 /nfs/dbraw/zinc/57/09/48/964570948.db2.gz TXKXYRLUDPRRIN-UHFFFAOYSA-N 1 2 244.273 1.916 20 0 BDADLO Cc1cnc(NC2CN(c3cccc[nH+]3)C2)cn1 ZINC001161319602 964572080 /nfs/dbraw/zinc/57/20/80/964572080.db2.gz UYZBJWLQVDWSQS-UHFFFAOYSA-N 1 2 241.298 1.481 20 0 BDADLO CC(=O)NCCNc1c[nH+]c(C)c(C)c1 ZINC001161658194 964666864 /nfs/dbraw/zinc/66/68/64/964666864.db2.gz LHTGMIFYZOBNAB-UHFFFAOYSA-N 1 2 207.277 1.246 20 0 BDADLO CC(=O)NCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001161658164 964667104 /nfs/dbraw/zinc/66/71/04/964667104.db2.gz JMKVWBBGSKJPSZ-UHFFFAOYSA-N 1 2 248.330 1.230 20 0 BDADLO CCc1cncnc1NCCCn1cc[nH+]c1 ZINC001161681879 964684095 /nfs/dbraw/zinc/68/40/95/964684095.db2.gz DMIHKDVEUJIDCR-UHFFFAOYSA-N 1 2 231.303 1.738 20 0 BDADLO Cc1cc(NCCCn2cc[nH+]c2)cn(C)c1=O ZINC001161687818 964687572 /nfs/dbraw/zinc/68/75/72/964687572.db2.gz FHIYKSSOTWXRDY-UHFFFAOYSA-N 1 2 246.314 1.392 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1CC2CC[NH+]1CC2 ZINC001142624424 964709247 /nfs/dbraw/zinc/70/92/47/964709247.db2.gz SIIYUARMTQTKNG-QMMMGPOBSA-N 1 2 236.237 1.149 20 0 BDADLO O=C(Nc1ncccc1O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142626069 964712156 /nfs/dbraw/zinc/71/21/56/964712156.db2.gz CUEPOBAQXFPYAW-JTQLQIEISA-N 1 2 247.298 1.210 20 0 BDADLO CC(C)[C@H](CO)Nc1ccc(N(C)C)c[nH+]1 ZINC001161740368 964726891 /nfs/dbraw/zinc/72/68/91/964726891.db2.gz FUPLCFWFGSSIHO-NSHDSACASA-N 1 2 223.320 1.576 20 0 BDADLO COC(=O)c1[nH+]ccc(NCC(F)F)c1C ZINC001161815492 964767973 /nfs/dbraw/zinc/76/79/73/964767973.db2.gz GREQMMNUMCZDEU-UHFFFAOYSA-N 1 2 230.214 1.276 20 0 BDADLO CSc1cc(NCc2ccnn2C)nc(C)[nH+]1 ZINC001161868101 964800492 /nfs/dbraw/zinc/80/04/92/964800492.db2.gz HACPRKLEMVGWJV-UHFFFAOYSA-N 1 2 249.343 1.853 20 0 BDADLO Cc1c(F)cc[nH+]c1NCCCn1cncn1 ZINC001161962556 964838599 /nfs/dbraw/zinc/83/85/99/964838599.db2.gz UAZUDPOQWQHKAS-UHFFFAOYSA-N 1 2 235.266 1.623 20 0 BDADLO O=C1C=C(Nc2ccc3c([nH+]2)CCCC3)CCN1 ZINC001162643703 965083634 /nfs/dbraw/zinc/08/36/34/965083634.db2.gz PWDYBHGEJOILLW-UHFFFAOYSA-N 1 2 243.310 1.776 20 0 BDADLO CN1C(=O)Cc2c1ncnc2NC(=[NH2+])C(C)(C)C ZINC001162662430 965096756 /nfs/dbraw/zinc/09/67/56/965096756.db2.gz UUIGSETXRHDIEL-UHFFFAOYSA-N 1 2 247.302 1.431 20 0 BDADLO Nc1cn2ccc(NCC3CC(=O)C3)cc2[nH+]1 ZINC001168392830 965130276 /nfs/dbraw/zinc/13/02/76/965130276.db2.gz PTGUFVSQAJQKPK-UHFFFAOYSA-N 1 2 230.271 1.308 20 0 BDADLO Nc1nc(=O)[nH]cc1Nc1cccn2cc[nH+]c12 ZINC001162784378 965171273 /nfs/dbraw/zinc/17/12/73/965171273.db2.gz JSFXIIWMZBUCPH-UHFFFAOYSA-N 1 2 242.242 1.156 20 0 BDADLO CN(Cc1ccc(N)[nH+]c1)c1cnccn1 ZINC001162994423 965222178 /nfs/dbraw/zinc/22/21/78/965222178.db2.gz FPKSPGBTBONZBQ-UHFFFAOYSA-N 1 2 215.260 1.090 20 0 BDADLO Nc1cc(N[C@@H]2CCCc3ccncc32)[nH+]cn1 ZINC001163168302 965277964 /nfs/dbraw/zinc/27/79/64/965277964.db2.gz VAUNPHKBZGUATF-LLVKDONJSA-N 1 2 241.298 1.943 20 0 BDADLO CCOC(=O)C=C(N)Nc1cccn2cc[nH+]c12 ZINC001163447677 965402225 /nfs/dbraw/zinc/40/22/25/965402225.db2.gz VHRYYPHYFSEOTB-UHFFFAOYSA-N 1 2 246.270 1.677 20 0 BDADLO CCC1(CO)CCN(c2cc(N)nc[nH+]2)CC1 ZINC001120830643 965428415 /nfs/dbraw/zinc/42/84/15/965428415.db2.gz UZHCZOVXNABREH-UHFFFAOYSA-N 1 2 236.319 1.048 20 0 BDADLO c1ccn2nc(C[NH+]3C4CCC3CC4)nc2c1 ZINC001233068543 965473791 /nfs/dbraw/zinc/47/37/91/965473791.db2.gz ABUXRRFBUNQZPU-UHFFFAOYSA-N 1 2 228.299 1.856 20 0 BDADLO COCc1cc[nH+]c(N2CC3(CC(O)C3)C2)c1 ZINC001163735438 965554403 /nfs/dbraw/zinc/55/44/03/965554403.db2.gz SBSMQBUUVDZKGP-UHFFFAOYSA-N 1 2 234.299 1.189 20 0 BDADLO COc1[nH+]ccc(NCCn2cc[nH+]c2C)c1N ZINC001163920106 965634975 /nfs/dbraw/zinc/63/49/75/965634975.db2.gz RMLOFHXHLCXYEC-UHFFFAOYSA-N 1 2 247.302 1.289 20 0 BDADLO COc1cc[nH+]cc1NCc1nonc1C ZINC001164058902 965709552 /nfs/dbraw/zinc/70/95/52/965709552.db2.gz BUZIPZDUDPVGDF-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO Cc1nonc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001164053850 965716127 /nfs/dbraw/zinc/71/61/27/965716127.db2.gz XJPQSDAUHRLWTR-UHFFFAOYSA-N 1 2 229.243 1.866 20 0 BDADLO CCCc1cc(N2C[C@@H](O)[C@@H](F)C2)nc(C)[nH+]1 ZINC001164105294 965734727 /nfs/dbraw/zinc/73/47/27/965734727.db2.gz CLRSENAIYHXLQR-WDEREUQCSA-N 1 2 239.294 1.257 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2cc(C)ccc2C)C[NH2+]1 ZINC001164304750 965837742 /nfs/dbraw/zinc/83/77/42/965837742.db2.gz DWLGHFNHNXUBIL-AAEUAGOBSA-N 1 2 248.326 1.619 20 0 BDADLO Cc1cc[nH+]cc1NCCCc1c[nH][nH]c1=O ZINC001164375187 965866875 /nfs/dbraw/zinc/86/68/75/965866875.db2.gz RJXBLXRIATUFBB-SNVBAGLBSA-N 1 2 232.287 1.314 20 0 BDADLO Cc1[nH+]cccc1NCCCc1c[nH][nH]c1=O ZINC001164382658 965870556 /nfs/dbraw/zinc/87/05/56/965870556.db2.gz PRHSALHIHOWWNB-SNVBAGLBSA-N 1 2 232.287 1.314 20 0 BDADLO COC(=O)CNc1cc(C)cn2cc[nH+]c12 ZINC001164561971 965913473 /nfs/dbraw/zinc/91/34/73/965913473.db2.gz GOVFCCZJVGWTFJ-UHFFFAOYSA-N 1 2 219.244 1.228 20 0 BDADLO CCc1ccc(C[NH+]2CCN(CCF)CC2)o1 ZINC001204393475 965949523 /nfs/dbraw/zinc/94/95/23/965949523.db2.gz YPIXDNWERCYSPP-UHFFFAOYSA-N 1 2 240.322 1.929 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2CCCC(=O)CC2)c1 ZINC001165465052 966104531 /nfs/dbraw/zinc/10/45/31/966104531.db2.gz YIQJKVCAQWGHGY-UHFFFAOYSA-N 1 2 239.706 1.877 20 0 BDADLO CCCNc1cc(N[C@@H]2COC[C@@H]2C)nc[nH+]1 ZINC000699873675 966155687 /nfs/dbraw/zinc/15/56/87/966155687.db2.gz IWLCSZUUUQRTLM-VHSXEESVSA-N 1 2 236.319 1.745 20 0 BDADLO CCCNc1cc(N[C@@H]2COC[C@@H]2C)[nH+]cn1 ZINC000699873675 966155699 /nfs/dbraw/zinc/15/56/99/966155699.db2.gz IWLCSZUUUQRTLM-VHSXEESVSA-N 1 2 236.319 1.745 20 0 BDADLO CCN(C)c1cc(NC(C)(C)COC)[nH+]cn1 ZINC001165977062 966222431 /nfs/dbraw/zinc/22/24/31/966222431.db2.gz RFABFNPLPVOZMD-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CCN(C)c1cc(NC(C)(C)COC)nc[nH+]1 ZINC001165977062 966222449 /nfs/dbraw/zinc/22/24/49/966222449.db2.gz RFABFNPLPVOZMD-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1Nc1nnco1 ZINC001206714094 966264029 /nfs/dbraw/zinc/26/40/29/966264029.db2.gz BLPKDGMGKHVOMW-UHFFFAOYSA-N 1 2 219.248 1.583 20 0 BDADLO C[N@H+](CCO)Cc1cnccc1Cl ZINC001236254223 966323588 /nfs/dbraw/zinc/32/35/88/966323588.db2.gz SKPZMEFMMNPHLM-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO C[N@@H+](CCO)Cc1cnccc1Cl ZINC001236254223 966323597 /nfs/dbraw/zinc/32/35/97/966323597.db2.gz SKPZMEFMMNPHLM-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO COc1ccc(OC)c(C[N@H+](C)CCO)c1F ZINC001236255319 966326235 /nfs/dbraw/zinc/32/62/35/966326235.db2.gz CFXMPMNEBRFKGM-UHFFFAOYSA-N 1 2 243.278 1.267 20 0 BDADLO COc1ccc(OC)c(C[N@@H+](C)CCO)c1F ZINC001236255319 966326251 /nfs/dbraw/zinc/32/62/51/966326251.db2.gz CFXMPMNEBRFKGM-UHFFFAOYSA-N 1 2 243.278 1.267 20 0 BDADLO CCc1cc(N2C[C@@H]3C[C@H]2CO3)nc(C)[nH+]1 ZINC001166757000 966400038 /nfs/dbraw/zinc/40/00/38/966400038.db2.gz WTJBAKUUTZBULL-QWRGUYRKSA-N 1 2 219.288 1.325 20 0 BDADLO CCc1cn(CC[C@@H]2COC(C)(C)O2)c[nH+]1 ZINC001166823009 966427618 /nfs/dbraw/zinc/42/76/18/966427618.db2.gz QBKGGOQUBYXTIG-LLVKDONJSA-N 1 2 224.304 1.987 20 0 BDADLO NC(=O)[C@@H]1CCCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166933603 966446528 /nfs/dbraw/zinc/44/65/28/966446528.db2.gz JQJFBGUTHSZJHL-LLVKDONJSA-N 1 2 245.326 1.661 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCN(C)C(=O)[C@H]1C ZINC001167038547 966531858 /nfs/dbraw/zinc/53/18/58/966531858.db2.gz ZWVBFVFCSVJVDF-SNVBAGLBSA-N 1 2 249.314 1.066 20 0 BDADLO O=C1C[N@H+](Cc2ccco2)CC2(CCCC2)N1 ZINC001203285215 966596477 /nfs/dbraw/zinc/59/64/77/966596477.db2.gz XIRIWCSUIKZCLI-UHFFFAOYSA-N 1 2 234.299 1.524 20 0 BDADLO O=C1C[N@@H+](Cc2ccco2)CC2(CCCC2)N1 ZINC001203285215 966596486 /nfs/dbraw/zinc/59/64/86/966596486.db2.gz XIRIWCSUIKZCLI-UHFFFAOYSA-N 1 2 234.299 1.524 20 0 BDADLO CNc1ccc(Nc2cnc(N(C)C)nc2)c[nH+]1 ZINC001203449959 966659076 /nfs/dbraw/zinc/65/90/76/966659076.db2.gz PDWDNHDOJZFHKY-UHFFFAOYSA-N 1 2 244.302 1.723 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nc(C)co1 ZINC001237644175 966679139 /nfs/dbraw/zinc/67/91/39/966679139.db2.gz DJBOJPWVTQWNDL-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nc(C)co1 ZINC001237644175 966679154 /nfs/dbraw/zinc/67/91/54/966679154.db2.gz DJBOJPWVTQWNDL-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CNc1ccc(Nc2cc3n(n2)CCO3)c[nH+]1 ZINC001203455358 966693055 /nfs/dbraw/zinc/69/30/55/966693055.db2.gz RXEAVNBFCLXEED-UHFFFAOYSA-N 1 2 231.259 1.456 20 0 BDADLO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001203822503 966792048 /nfs/dbraw/zinc/79/20/48/966792048.db2.gz KJINYFRYUHZZPB-BETUJISGSA-N 1 2 219.284 1.668 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001203822503 966792065 /nfs/dbraw/zinc/79/20/65/966792065.db2.gz KJINYFRYUHZZPB-BETUJISGSA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1O ZINC001203871525 966802332 /nfs/dbraw/zinc/80/23/32/966802332.db2.gz SCQQGHFOQPCVRE-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1ccc(C[N@H+]2CCOC3(CC3)C2)cc1O ZINC001203871525 966802340 /nfs/dbraw/zinc/80/23/40/966802340.db2.gz SCQQGHFOQPCVRE-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001127794063 966802793 /nfs/dbraw/zinc/80/27/93/966802793.db2.gz UMDCSQTXDFFUAU-IJLUTSLNSA-N 1 2 247.342 1.782 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001203976515 966835402 /nfs/dbraw/zinc/83/54/02/966835402.db2.gz AEIUFKUWVGMYND-MNOVXSKESA-N 1 2 221.304 1.411 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001203976515 966835403 /nfs/dbraw/zinc/83/54/03/966835403.db2.gz AEIUFKUWVGMYND-MNOVXSKESA-N 1 2 221.304 1.411 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CCO1 ZINC001204050951 966871926 /nfs/dbraw/zinc/87/19/26/966871926.db2.gz BYGMSUHYXRXVMY-SNVBAGLBSA-N 1 2 235.283 1.636 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)CCO1 ZINC001204050951 966871931 /nfs/dbraw/zinc/87/19/31/966871931.db2.gz BYGMSUHYXRXVMY-SNVBAGLBSA-N 1 2 235.283 1.636 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccc(C)n2)C1 ZINC001204069645 966878315 /nfs/dbraw/zinc/87/83/15/966878315.db2.gz XZWACMJCJHBRDN-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO Cc1cccc(C[N@H+]2CCc3c(cnn3C)C2)n1 ZINC001204070728 966881170 /nfs/dbraw/zinc/88/11/70/966881170.db2.gz RUWQKVBNVSMUJQ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc(C[N@@H+]2CCc3c(cnn3C)C2)n1 ZINC001204070728 966881175 /nfs/dbraw/zinc/88/11/75/966881175.db2.gz RUWQKVBNVSMUJQ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Fc1ccc(C[NH+]2CC3(COC3)C2)cc1F ZINC001204224470 966932134 /nfs/dbraw/zinc/93/21/34/966932134.db2.gz ZPCQRKJILPMFFX-UHFFFAOYSA-N 1 2 225.238 1.797 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccoc2)C1 ZINC001204241008 966936658 /nfs/dbraw/zinc/93/66/58/966936658.db2.gz QQKGWWHHVHCWAI-WDEREUQCSA-N 1 2 213.252 1.432 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccoc2)C1 ZINC001204241008 966936662 /nfs/dbraw/zinc/93/66/62/966936662.db2.gz QQKGWWHHVHCWAI-WDEREUQCSA-N 1 2 213.252 1.432 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)o1 ZINC001204393459 966986698 /nfs/dbraw/zinc/98/66/98/966986698.db2.gz YHRKNOHODVVUFS-UHFFFAOYSA-N 1 2 236.315 1.506 20 0 BDADLO CCc1ccc(C[N@H+]2CCCN(C)C(=O)C2)o1 ZINC001204393459 966986714 /nfs/dbraw/zinc/98/67/14/966986714.db2.gz YHRKNOHODVVUFS-UHFFFAOYSA-N 1 2 236.315 1.506 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1F ZINC001204499649 967003780 /nfs/dbraw/zinc/00/37/80/967003780.db2.gz KNCDFGIOWJHBDJ-GXTWGEPZSA-N 1 2 246.285 1.749 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]1F ZINC001204499649 967003787 /nfs/dbraw/zinc/00/37/87/967003787.db2.gz KNCDFGIOWJHBDJ-GXTWGEPZSA-N 1 2 246.285 1.749 20 0 BDADLO Cc1cc(-n2ncc3c2cccc3N)c[nH+]c1N ZINC001249787798 967065780 /nfs/dbraw/zinc/06/57/80/967065780.db2.gz SLOIORMAZLTIGA-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(Oc2cccnc2)C1 ZINC001204589107 967086064 /nfs/dbraw/zinc/08/60/64/967086064.db2.gz QTWROSXLYBZZMJ-UHFFFAOYSA-N 1 2 244.298 1.376 20 0 BDADLO COc1ccc(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001239727016 967114311 /nfs/dbraw/zinc/11/43/11/967114311.db2.gz QUZVQHALYUZTFB-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)nc1C ZINC001249891403 967131480 /nfs/dbraw/zinc/13/14/80/967131480.db2.gz FYGCBYWBYVTQDX-JTQLQIEISA-N 1 2 224.279 1.942 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)nc1C ZINC001249891403 967131488 /nfs/dbraw/zinc/13/14/88/967131488.db2.gz FYGCBYWBYVTQDX-JTQLQIEISA-N 1 2 224.279 1.942 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC23COC3)nc1C ZINC001249909209 967146864 /nfs/dbraw/zinc/14/68/64/967146864.db2.gz IOXUBVJTPUMAEQ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1ccc(C[N@H+]2CCCC23COC3)nc1C ZINC001249909209 967146868 /nfs/dbraw/zinc/14/68/68/967146868.db2.gz IOXUBVJTPUMAEQ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2nonc2c1 ZINC001204938751 967244304 /nfs/dbraw/zinc/24/43/04/967244304.db2.gz CXVHWHILPJXADI-UHFFFAOYSA-N 1 2 212.212 1.867 20 0 BDADLO COc1cc[nH+]c(Nc2ccc3nncn3c2)c1 ZINC001249999805 967253943 /nfs/dbraw/zinc/25/39/43/967253943.db2.gz KRHBMSLXGJYUJH-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Nc1cncc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204959288 967259380 /nfs/dbraw/zinc/25/93/80/967259380.db2.gz KSHKKVTZQWOYPK-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO COc1cc(N)n(-c2ccn3cc[nH+]c3c2)n1 ZINC001204959645 967259748 /nfs/dbraw/zinc/25/97/48/967259748.db2.gz RVHIWOZAZHOGEL-UHFFFAOYSA-N 1 2 229.243 1.111 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cn1 ZINC001204978335 967272437 /nfs/dbraw/zinc/27/24/37/967272437.db2.gz AAGNVQYXEUPCBF-WDEREUQCSA-N 1 2 229.274 1.692 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cn1 ZINC001204978335 967272443 /nfs/dbraw/zinc/27/24/43/967272443.db2.gz AAGNVQYXEUPCBF-WDEREUQCSA-N 1 2 229.274 1.692 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cn1 ZINC001204978768 967272762 /nfs/dbraw/zinc/27/27/62/967272762.db2.gz GKMASEMTRGBHOR-JTQLQIEISA-N 1 2 247.264 1.989 20 0 BDADLO Cn1cc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cn1 ZINC001204978768 967272766 /nfs/dbraw/zinc/27/27/66/967272766.db2.gz GKMASEMTRGBHOR-JTQLQIEISA-N 1 2 247.264 1.989 20 0 BDADLO C[NH+]1CC(OCOCc2ccccc2)C1 ZINC001205258251 967450164 /nfs/dbraw/zinc/45/01/64/967450164.db2.gz URNNGNJRZWYROY-UHFFFAOYSA-N 1 2 207.273 1.491 20 0 BDADLO OCc1cc(CC[NH+]2CCOCC2)cs1 ZINC001250275851 967604018 /nfs/dbraw/zinc/60/40/18/967604018.db2.gz QJZYFGWZQBFPDU-UHFFFAOYSA-N 1 2 227.329 1.115 20 0 BDADLO COc1cc(F)ccc1CC[NH+]1CCOCC1 ZINC001250274345 967605098 /nfs/dbraw/zinc/60/50/98/967605098.db2.gz DUPMTJJFGJQHNV-UHFFFAOYSA-N 1 2 239.290 1.709 20 0 BDADLO CN(C)c1ccc(NC[C@@H]2CC(=O)N(C)C2)[nH+]c1 ZINC001168726707 967650940 /nfs/dbraw/zinc/65/09/40/967650940.db2.gz NHIYOOTXTFEKEH-JTQLQIEISA-N 1 2 248.330 1.038 20 0 BDADLO CCn1cc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001205557269 967685398 /nfs/dbraw/zinc/68/53/98/967685398.db2.gz MMJJERTZFPKETM-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1cc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001205557269 967685418 /nfs/dbraw/zinc/68/54/18/967685418.db2.gz MMJJERTZFPKETM-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO COc1ncc(CCn2cc[nH+]c2)cc1N ZINC001250316795 967691111 /nfs/dbraw/zinc/69/11/11/967691111.db2.gz YHZQFGKTSZATKC-UHFFFAOYSA-N 1 2 218.260 1.112 20 0 BDADLO CN1CCOc2cc(CCn3cc[nH+]c3)cnc21 ZINC001250316657 967692052 /nfs/dbraw/zinc/69/20/52/967692052.db2.gz RGASVAGMFYFNJQ-UHFFFAOYSA-N 1 2 244.298 1.349 20 0 BDADLO Oc1cc(F)ccc1CCn1cc[nH+]c1 ZINC001250319551 967693084 /nfs/dbraw/zinc/69/30/84/967693084.db2.gz VAVNBHOXOWSNDH-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO OCc1ccc(F)cc1CCn1cc[nH+]c1 ZINC001250319527 967694358 /nfs/dbraw/zinc/69/43/58/967694358.db2.gz UAGYXYDCOQYSOC-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO COc1cc[nH+]cc1Cc1nnc(C)o1 ZINC001250339506 967731473 /nfs/dbraw/zinc/73/14/73/967731473.db2.gz RJSKATAYFJHTDC-UHFFFAOYSA-N 1 2 205.217 1.372 20 0 BDADLO CCn1c[nH+]cc1CN[C@H](C)c1nc(C)no1 ZINC001205650820 967744451 /nfs/dbraw/zinc/74/44/51/967744451.db2.gz USUVISAHIMLKGN-MRVPVSSYSA-N 1 2 235.291 1.445 20 0 BDADLO Cc1ccc(CC(=O)NC2CC2)c(C)[nH+]1 ZINC001250380555 967800969 /nfs/dbraw/zinc/80/09/69/967800969.db2.gz AXHCTEMEHFWXHD-UHFFFAOYSA-N 1 2 204.273 1.520 20 0 BDADLO Cc1cc(Cc2ccc(N(C)C)[nH+]c2)n(C)n1 ZINC001250417768 967824143 /nfs/dbraw/zinc/82/41/43/967824143.db2.gz KFHGBZBIEOFGTJ-UHFFFAOYSA-N 1 2 230.315 1.780 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ncccc2C)C[C@@H]1C ZINC001205814200 967834628 /nfs/dbraw/zinc/83/46/28/967834628.db2.gz XBEFXRNFXHUQQZ-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ncccc2C)C[C@@H]1C ZINC001205814200 967834631 /nfs/dbraw/zinc/83/46/31/967834631.db2.gz XBEFXRNFXHUQQZ-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC[C@H](CO)Nc1cc(C)[nH+]c(SC)n1 ZINC001163043023 967984887 /nfs/dbraw/zinc/98/48/87/967984887.db2.gz LTUPULRFSMKVDL-MRVPVSSYSA-N 1 2 227.333 1.690 20 0 BDADLO CC(=O)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001142698951 968057865 /nfs/dbraw/zinc/05/78/65/968057865.db2.gz DTHUFBHAMLERSI-UHFFFAOYSA-N 1 2 243.266 1.459 20 0 BDADLO CC(=O)Nc1ccc2nc(C[NH+](C)C)[nH]c2c1 ZINC001250565345 968077968 /nfs/dbraw/zinc/07/79/68/968077968.db2.gz GRJVJLLWQOFQMZ-UHFFFAOYSA-N 1 2 232.287 1.583 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206221775 968151815 /nfs/dbraw/zinc/15/18/15/968151815.db2.gz JXXJXAGNSQSLDK-VIFPVBQESA-N 1 2 248.252 1.184 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206221775 968151817 /nfs/dbraw/zinc/15/18/17/968151817.db2.gz JXXJXAGNSQSLDK-VIFPVBQESA-N 1 2 248.252 1.184 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cnn(C)c1 ZINC001118427982 968152729 /nfs/dbraw/zinc/15/27/29/968152729.db2.gz PFTDWCBOSBROBH-YWVKMMECSA-N 1 2 246.318 1.368 20 0 BDADLO O=C1CC[C@H](CNc2ccn3cc[nH+]c3c2)N1 ZINC001164164827 968178032 /nfs/dbraw/zinc/17/80/32/968178032.db2.gz XRXQGKSMCKBAQH-SNVBAGLBSA-N 1 2 230.271 1.025 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)n1cccc1 ZINC001118793519 968230030 /nfs/dbraw/zinc/23/00/30/968230030.db2.gz NJZRJPPLVMQINA-MNOVXSKESA-N 1 2 244.298 1.507 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1noc(C)n1 ZINC001119245432 968291867 /nfs/dbraw/zinc/29/18/67/968291867.db2.gz PVQZJWXYLJFVSB-BWZBUEFSSA-N 1 2 213.281 1.452 20 0 BDADLO Cc1nc2c(ccn2C)c(N[C@@H](C)CCO)[nH+]1 ZINC001165865740 968299643 /nfs/dbraw/zinc/29/96/43/968299643.db2.gz ARJOWGVRIWMLGF-QMMMGPOBSA-N 1 2 234.303 1.460 20 0 BDADLO COc1cnccc1C[NH+]1CC(C(F)F)C1 ZINC001206493763 968337429 /nfs/dbraw/zinc/33/74/29/968337429.db2.gz KRTROYFYTXESNW-UHFFFAOYSA-N 1 2 228.242 1.787 20 0 BDADLO COc1cnccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001206487383 968340108 /nfs/dbraw/zinc/34/01/08/968340108.db2.gz OTPLKIPBOLNGDO-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cnccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001206487383 968340116 /nfs/dbraw/zinc/34/01/16/968340116.db2.gz OTPLKIPBOLNGDO-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO CC(=O)N1C[C@H]2CC[N@H+](Cc3nocc3C)C[C@H]21 ZINC001084140085 968359177 /nfs/dbraw/zinc/35/91/77/968359177.db2.gz QLSMHAKCWUMLRA-DGCLKSJQSA-N 1 2 249.314 1.036 20 0 BDADLO CC(=O)N1C[C@H]2CC[N@@H+](Cc3nocc3C)C[C@H]21 ZINC001084140085 968359184 /nfs/dbraw/zinc/35/91/84/968359184.db2.gz QLSMHAKCWUMLRA-DGCLKSJQSA-N 1 2 249.314 1.036 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1Nc1c[nH]ccc1=O ZINC001206737715 968451752 /nfs/dbraw/zinc/45/17/52/968451752.db2.gz VLLZBIIJWPDLAK-UHFFFAOYSA-N 1 2 244.298 1.888 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccncc2F)CC[C@@H]1F ZINC001206783988 968470249 /nfs/dbraw/zinc/47/02/49/968470249.db2.gz VSMXQWQYEFEFOK-ONGXEEELSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccncc2F)CC[C@@H]1F ZINC001206783988 968470256 /nfs/dbraw/zinc/47/02/56/968470256.db2.gz VSMXQWQYEFEFOK-ONGXEEELSA-N 1 2 228.242 1.125 20 0 BDADLO Cc1nc(C[N@H+]2CCc3nncn3CC2)cs1 ZINC001206797788 968481362 /nfs/dbraw/zinc/48/13/62/968481362.db2.gz IOIVUSHPMXCHAE-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO Cc1nc(C[N@@H+]2CCc3nncn3CC2)cs1 ZINC001206797788 968481368 /nfs/dbraw/zinc/48/13/68/968481368.db2.gz IOIVUSHPMXCHAE-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)no1 ZINC001206816006 968488309 /nfs/dbraw/zinc/48/83/09/968488309.db2.gz ZGJPEYXIELMBLB-WCQYABFASA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)no1 ZINC001206816006 968488313 /nfs/dbraw/zinc/48/83/13/968488313.db2.gz ZGJPEYXIELMBLB-WCQYABFASA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001206847259 968497352 /nfs/dbraw/zinc/49/73/52/968497352.db2.gz UEMJIEVVTIVYLF-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCC(=O)CC2)c1 ZINC001206847259 968497357 /nfs/dbraw/zinc/49/73/57/968497357.db2.gz UEMJIEVVTIVYLF-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1ccccc1-c1noc([C@]2([NH3+])CCOC2)n1 ZINC000085850493 968506028 /nfs/dbraw/zinc/50/60/28/968506028.db2.gz SMWMAAKMPIFDOH-ZDUSSCGKSA-N 1 2 245.282 1.619 20 0 BDADLO COc1cncc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001206988392 968527304 /nfs/dbraw/zinc/52/73/04/968527304.db2.gz BOHAWPXHWIXUFS-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1cncc(C[N@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001206988392 968527309 /nfs/dbraw/zinc/52/73/09/968527309.db2.gz BOHAWPXHWIXUFS-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO O=c1[nH]cccc1C[NH+]1CCN(C2CCC2)CC1 ZINC001207000383 968535660 /nfs/dbraw/zinc/53/56/60/968535660.db2.gz KOEZSKOPPXTYNO-UHFFFAOYSA-N 1 2 247.342 1.457 20 0 BDADLO C[N@@H+](Cc1ccc[nH]c1=O)Cc1ncccn1 ZINC001207000415 968536840 /nfs/dbraw/zinc/53/68/40/968536840.db2.gz LNODANONNVHBTC-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@H+](Cc1ccc[nH]c1=O)Cc1ncccn1 ZINC001207000415 968536845 /nfs/dbraw/zinc/53/68/45/968536845.db2.gz LNODANONNVHBTC-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO c1[nH+]c(CN2C[C@@H]3C[C@@H]3C2)n2ccccc12 ZINC001207050294 968576364 /nfs/dbraw/zinc/57/63/64/968576364.db2.gz NFEDSYVAGAFUFQ-PHIMTYICSA-N 1 2 213.284 1.786 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001252108997 968593093 /nfs/dbraw/zinc/59/30/93/968593093.db2.gz UUBCYCULRYVCNA-SRVKXCTJSA-N 1 2 245.363 1.715 20 0 BDADLO O=c1cccc(C[N@@H+]2CCc3ncccc3C2)[nH]1 ZINC001207070769 968600543 /nfs/dbraw/zinc/60/05/43/968600543.db2.gz FZFHHGATECZQEX-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO O=c1cccc(C[N@H+]2CCc3ncccc3C2)[nH]1 ZINC001207070769 968600549 /nfs/dbraw/zinc/60/05/49/968600549.db2.gz FZFHHGATECZQEX-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H]2C(C)C)cn1 ZINC001207079562 968615528 /nfs/dbraw/zinc/61/55/28/968615528.db2.gz WHODLZRXIZFXRN-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H]2C(C)C)cn1 ZINC001207079562 968615534 /nfs/dbraw/zinc/61/55/34/968615534.db2.gz WHODLZRXIZFXRN-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO CCc1nccc(C[N@@H+]2CCOC[C@H]2C(C)C)n1 ZINC001207088973 968621277 /nfs/dbraw/zinc/62/12/77/968621277.db2.gz ZJYXMCKOBDBPQG-ZDUSSCGKSA-N 1 2 249.358 1.896 20 0 BDADLO CCc1nccc(C[N@H+]2CCOC[C@H]2C(C)C)n1 ZINC001207088973 968621280 /nfs/dbraw/zinc/62/12/80/968621280.db2.gz ZJYXMCKOBDBPQG-ZDUSSCGKSA-N 1 2 249.358 1.896 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207090528 968621303 /nfs/dbraw/zinc/62/13/03/968621303.db2.gz JHRZJGXRLSYGAA-SECBINFHSA-N 1 2 242.269 1.564 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207090528 968621308 /nfs/dbraw/zinc/62/13/08/968621308.db2.gz JHRZJGXRLSYGAA-SECBINFHSA-N 1 2 242.269 1.564 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207093781 968626019 /nfs/dbraw/zinc/62/60/19/968626019.db2.gz PNKFPCREXFEBAJ-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207093781 968626021 /nfs/dbraw/zinc/62/60/21/968626021.db2.gz PNKFPCREXFEBAJ-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ncc(F)cc1F ZINC001207097483 968631304 /nfs/dbraw/zinc/63/13/04/968631304.db2.gz RFROBLPHCXPNPI-WCBMZHEXSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ncc(F)cc1F ZINC001207097483 968631309 /nfs/dbraw/zinc/63/13/09/968631309.db2.gz RFROBLPHCXPNPI-WCBMZHEXSA-N 1 2 242.269 1.705 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC(C)(C)O)C1CCCC1 ZINC001252369268 968648606 /nfs/dbraw/zinc/64/86/06/968648606.db2.gz XYQIXJPSVFHXEF-JTQLQIEISA-N 1 2 229.320 1.079 20 0 BDADLO C/C(=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000827791946 968704417 /nfs/dbraw/zinc/70/44/17/968704417.db2.gz KERAGXXCEDETRI-SOFGYWHQSA-N 1 2 233.315 1.999 20 0 BDADLO CC(=CC(=O)NCc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000827791946 968704423 /nfs/dbraw/zinc/70/44/23/968704423.db2.gz KERAGXXCEDETRI-SOFGYWHQSA-N 1 2 233.315 1.999 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001207413391 968754346 /nfs/dbraw/zinc/75/43/46/968754346.db2.gz QRHYSHPBXGTRAQ-MNOVXSKESA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001207413391 968754355 /nfs/dbraw/zinc/75/43/55/968754355.db2.gz QRHYSHPBXGTRAQ-MNOVXSKESA-N 1 2 227.304 1.050 20 0 BDADLO CCn1ncc(NCc2ccc[nH+]c2N)c1C ZINC001207415109 968756270 /nfs/dbraw/zinc/75/62/70/968756270.db2.gz JQNSGHCQADMNHO-UHFFFAOYSA-N 1 2 231.303 1.801 20 0 BDADLO COc1cccc(CC[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC001207428189 968766058 /nfs/dbraw/zinc/76/60/58/968766058.db2.gz YDHNPSRNEPWFLM-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(CC[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC001207428189 968766062 /nfs/dbraw/zinc/76/60/62/968766062.db2.gz YDHNPSRNEPWFLM-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCN2CC[C@@H]2C1 ZINC001207457819 968779329 /nfs/dbraw/zinc/77/93/29/968779329.db2.gz HLDVGNXPYLSWPB-CQSZACIVSA-N 1 2 246.354 1.628 20 0 BDADLO COc1ccccc1CC[N@H+]1CCN2CC[C@@H]2C1 ZINC001207457819 968779336 /nfs/dbraw/zinc/77/93/36/968779336.db2.gz HLDVGNXPYLSWPB-CQSZACIVSA-N 1 2 246.354 1.628 20 0 BDADLO O=C1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1F ZINC001207630801 968847930 /nfs/dbraw/zinc/84/79/30/968847930.db2.gz YNFRPHUNMINJSJ-WHOHXGKFSA-N 1 2 223.291 1.812 20 0 BDADLO O=C1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1F ZINC001207630801 968847935 /nfs/dbraw/zinc/84/79/35/968847935.db2.gz YNFRPHUNMINJSJ-WHOHXGKFSA-N 1 2 223.291 1.812 20 0 BDADLO Cc1nc2c(o1)CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC001207965831 968963562 /nfs/dbraw/zinc/96/35/62/968963562.db2.gz YKPAAUNSQQEPCO-NSHDSACASA-N 1 2 236.315 1.910 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC001207965831 968963565 /nfs/dbraw/zinc/96/35/65/968963565.db2.gz YKPAAUNSQQEPCO-NSHDSACASA-N 1 2 236.315 1.910 20 0 BDADLO CCC[C@@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252806296 968995382 /nfs/dbraw/zinc/99/53/82/968995382.db2.gz SEHKRLSZZQAQMX-SECBINFHSA-N 1 2 225.292 1.118 20 0 BDADLO Fc1cccc(F)c1CC[NH+]1CC2(COC2)C1 ZINC001208115684 969007645 /nfs/dbraw/zinc/00/76/45/969007645.db2.gz JTUJEXWGIBXYPU-UHFFFAOYSA-N 1 2 239.265 1.840 20 0 BDADLO Cc1cc2[nH+]ccn2cc1-c1cnc(N)nc1C ZINC001241646939 969080047 /nfs/dbraw/zinc/08/00/47/969080047.db2.gz MMOJNZGBHKLLMG-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO C[C@@](O)(C[NH+]1CC2(CCO2)C1)c1ccccc1 ZINC001253102193 969086430 /nfs/dbraw/zinc/08/64/30/969086430.db2.gz RKGHZCAFIXJZOH-CYBMUJFWSA-N 1 2 233.311 1.369 20 0 BDADLO CCCC1(C(=O)N2CC3(CC[N@@H+]3C)C2)CCC1 ZINC001273432412 969098935 /nfs/dbraw/zinc/09/89/35/969098935.db2.gz QASVZWBAVOIVKF-UHFFFAOYSA-N 1 2 236.359 1.873 20 0 BDADLO CCCC1(C(=O)N2CC3(CC[N@H+]3C)C2)CCC1 ZINC001273432412 969098942 /nfs/dbraw/zinc/09/89/42/969098942.db2.gz QASVZWBAVOIVKF-UHFFFAOYSA-N 1 2 236.359 1.873 20 0 BDADLO CNC(=O)c1cccnc1-c1c[nH+]c(N)cc1C ZINC001242072209 969196568 /nfs/dbraw/zinc/19/65/68/969196568.db2.gz FTOBEWQHKCSMHP-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO C[C@@H](C[N@@H+]1C[C@H]2C[C@@H](C1)O2)C(F)(F)F ZINC001208905482 969295869 /nfs/dbraw/zinc/29/58/69/969295869.db2.gz ORYUGZXYLJPSFM-BIIVOSGPSA-N 1 2 209.211 1.658 20 0 BDADLO C[C@@H](C[N@H+]1C[C@H]2C[C@@H](C1)O2)C(F)(F)F ZINC001208905482 969295865 /nfs/dbraw/zinc/29/58/65/969295865.db2.gz ORYUGZXYLJPSFM-BIIVOSGPSA-N 1 2 209.211 1.658 20 0 BDADLO CCCS(=O)(=O)Nc1ccn2cc[nH+]c2c1 ZINC001253634090 969319045 /nfs/dbraw/zinc/31/90/45/969319045.db2.gz HQPINSLPYGPZNQ-UHFFFAOYSA-N 1 2 239.300 1.486 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001253671761 969327341 /nfs/dbraw/zinc/32/73/41/969327341.db2.gz POABLIUOWRWXKS-LBPRGKRZSA-N 1 2 237.274 1.918 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001253671761 969327347 /nfs/dbraw/zinc/32/73/47/969327347.db2.gz POABLIUOWRWXKS-LBPRGKRZSA-N 1 2 237.274 1.918 20 0 BDADLO CC(=O)C[N@H+](C)CCOC(=O)c1ccccc1 ZINC001209040064 969331543 /nfs/dbraw/zinc/33/15/43/969331543.db2.gz GYXXHABTWOSTSP-UHFFFAOYSA-N 1 2 235.283 1.364 20 0 BDADLO CC(=O)C[N@@H+](C)CCOC(=O)c1ccccc1 ZINC001209040064 969331550 /nfs/dbraw/zinc/33/15/50/969331550.db2.gz GYXXHABTWOSTSP-UHFFFAOYSA-N 1 2 235.283 1.364 20 0 BDADLO O=C1CC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC001209102337 969351857 /nfs/dbraw/zinc/35/18/57/969351857.db2.gz AMEHMTGSNMVZFB-UHFFFAOYSA-N 1 2 239.315 1.195 20 0 BDADLO O=C1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC001209102337 969351861 /nfs/dbraw/zinc/35/18/61/969351861.db2.gz AMEHMTGSNMVZFB-UHFFFAOYSA-N 1 2 239.315 1.195 20 0 BDADLO CCCS(=O)(=O)NCc1c[nH+]cn1C(C)C ZINC001253752092 969369266 /nfs/dbraw/zinc/36/92/66/969369266.db2.gz WIFYPSJSAOSNEW-UHFFFAOYSA-N 1 2 245.348 1.293 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001253756836 969373599 /nfs/dbraw/zinc/37/35/99/969373599.db2.gz KCUYLLBCLJJRPK-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001253756836 969373602 /nfs/dbraw/zinc/37/36/02/969373602.db2.gz KCUYLLBCLJJRPK-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO c1ccn(-c2ccc(NCC3OCCO3)[nH+]c2)c1 ZINC001169062013 969374456 /nfs/dbraw/zinc/37/44/56/969374456.db2.gz AKAJULPWXUEHAN-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO CC(=O)[C@H]1C[N@H+](CCCc2ccncc2)CCO1 ZINC001209191828 969380847 /nfs/dbraw/zinc/38/08/47/969380847.db2.gz PVFCDOFTMMPSHM-CQSZACIVSA-N 1 2 248.326 1.304 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](CCCc2ccncc2)CCO1 ZINC001209191828 969380857 /nfs/dbraw/zinc/38/08/57/969380857.db2.gz PVFCDOFTMMPSHM-CQSZACIVSA-N 1 2 248.326 1.304 20 0 BDADLO Cc1ccsc1C[NH+]1CCN(C#N)CC1 ZINC001204023295 969538885 /nfs/dbraw/zinc/53/88/85/969538885.db2.gz FQQPWRIOWDZLJA-UHFFFAOYSA-N 1 2 221.329 1.655 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1c[nH]nc1C ZINC001209559402 969545209 /nfs/dbraw/zinc/54/52/09/969545209.db2.gz WWGNNZNVBMATIY-NSHDSACASA-N 1 2 239.319 1.348 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1c[nH]nc1C ZINC001209559402 969545214 /nfs/dbraw/zinc/54/52/14/969545214.db2.gz WWGNNZNVBMATIY-NSHDSACASA-N 1 2 239.319 1.348 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1ccon1 ZINC001209564381 969546571 /nfs/dbraw/zinc/54/65/71/969546571.db2.gz KDMQVRRCXRIWKP-UHFFFAOYSA-N 1 2 220.276 1.393 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1ccon1 ZINC001209564381 969546578 /nfs/dbraw/zinc/54/65/78/969546578.db2.gz KDMQVRRCXRIWKP-UHFFFAOYSA-N 1 2 220.276 1.393 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C)[nH]2)C1 ZINC001209567315 969551631 /nfs/dbraw/zinc/55/16/31/969551631.db2.gz ZRTKABOOGFRZQC-LBPRGKRZSA-N 1 2 240.278 1.410 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C)[nH]2)C1 ZINC001209567315 969551634 /nfs/dbraw/zinc/55/16/34/969551634.db2.gz ZRTKABOOGFRZQC-LBPRGKRZSA-N 1 2 240.278 1.410 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209575332 969557061 /nfs/dbraw/zinc/55/70/61/969557061.db2.gz BYKIJOHDWNMMIW-WXHSDQCUSA-N 1 2 248.326 1.849 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(C)[nH]1 ZINC001209575332 969557065 /nfs/dbraw/zinc/55/70/65/969557065.db2.gz BYKIJOHDWNMMIW-WXHSDQCUSA-N 1 2 248.326 1.849 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccc(C)[nH]2)CCO1 ZINC001209578629 969563325 /nfs/dbraw/zinc/56/33/25/969563325.db2.gz KTLWWNUOYLAOAN-LBPRGKRZSA-N 1 2 224.304 1.170 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccc(C)[nH]2)CCO1 ZINC001209578629 969563330 /nfs/dbraw/zinc/56/33/30/969563330.db2.gz KTLWWNUOYLAOAN-LBPRGKRZSA-N 1 2 224.304 1.170 20 0 BDADLO COc1cc(C[NH+]2CC(C)(C)C2)cnc1OC ZINC001209613021 969567736 /nfs/dbraw/zinc/56/77/36/969567736.db2.gz GVBJGFZCDMPUJZ-UHFFFAOYSA-N 1 2 236.315 1.941 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCCOC2)CCCCC1 ZINC001254362204 969576384 /nfs/dbraw/zinc/57/63/84/969576384.db2.gz GRWRMDHEOHHJSX-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CCN(Cc1ccccc1N(C)C)C1C[NH+](C)C1 ZINC001209779510 969608219 /nfs/dbraw/zinc/60/82/19/969608219.db2.gz JKLHYWHPPIKWGP-UHFFFAOYSA-N 1 2 247.386 1.889 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)[NH2+]CC(F)F ZINC001169423457 969629716 /nfs/dbraw/zinc/62/97/16/969629716.db2.gz UZAKSGNGVXPPRI-QMMMGPOBSA-N 1 2 222.279 1.488 20 0 BDADLO C[C@H](Nc1ccc(N)[nH+]c1)c1cnccn1 ZINC001169533715 969725166 /nfs/dbraw/zinc/72/51/66/969725166.db2.gz PPADUHKKACESOD-QMMMGPOBSA-N 1 2 215.260 1.627 20 0 BDADLO Cc1cc(N)[nH+]cc1-n1ccc(Cl)c(N)c1=N ZINC001209967959 969738154 /nfs/dbraw/zinc/73/81/54/969738154.db2.gz OWCMUMXDVOPTOI-UHFFFAOYSA-N 1 2 249.705 1.478 20 0 BDADLO CCCCC(=O)[C@H](C)[NH2+]c1cccc(=O)n1C ZINC001169548405 969740749 /nfs/dbraw/zinc/74/07/49/969740749.db2.gz ZAIONJSHBKCPLH-JTQLQIEISA-N 1 2 236.315 1.945 20 0 BDADLO COC(=O)c1n[nH]cc1Nc1c[nH+]c(C)c(C)c1 ZINC001169573445 969768781 /nfs/dbraw/zinc/76/87/81/969768781.db2.gz KXAAFECQNPMKBC-UHFFFAOYSA-N 1 2 246.270 1.952 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000723624048 969789524 /nfs/dbraw/zinc/78/95/24/969789524.db2.gz OZEMFIFZCNJNNR-NSHDSACASA-N 1 2 222.288 1.784 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000723624048 969789529 /nfs/dbraw/zinc/78/95/29/969789529.db2.gz OZEMFIFZCNJNNR-NSHDSACASA-N 1 2 222.288 1.784 20 0 BDADLO CCCOC1C[NH+]([C@H]2CCCN(C(C)=O)C2)C1 ZINC001169618387 969796338 /nfs/dbraw/zinc/79/63/38/969796338.db2.gz VWRBIBQUIXPYFK-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1ccncc1NC[C@H]1COCC[N@H+]1C ZINC001169653731 969801647 /nfs/dbraw/zinc/80/16/47/969801647.db2.gz KEXWKDZCHMROLO-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cnc(C2CC2)nc1 ZINC001169653413 969801843 /nfs/dbraw/zinc/80/18/43/969801843.db2.gz IYOSVIRRGZPBNC-GFCCVEGCSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cnc(C2CC2)nc1 ZINC001169653413 969801848 /nfs/dbraw/zinc/80/18/48/969801848.db2.gz IYOSVIRRGZPBNC-GFCCVEGCSA-N 1 2 248.330 1.097 20 0 BDADLO Cc1cncc(NC[C@@H]2COCC[N@H+]2C)c1 ZINC001169652679 969802028 /nfs/dbraw/zinc/80/20/28/969802028.db2.gz APFJTCBOQLZQEM-GFCCVEGCSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1cncc(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC001169652679 969802033 /nfs/dbraw/zinc/80/20/33/969802033.db2.gz APFJTCBOQLZQEM-GFCCVEGCSA-N 1 2 221.304 1.133 20 0 BDADLO C[C@@H](OCC[NH+]1CCOCC1)c1cccnc1 ZINC001210191878 969824877 /nfs/dbraw/zinc/82/48/77/969824877.db2.gz JTSXFADJDOKSGX-GFCCVEGCSA-N 1 2 236.315 1.491 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCOCC1 ZINC001255030785 969855718 /nfs/dbraw/zinc/85/57/18/969855718.db2.gz NNSVJYZYNJABCF-VIFPVBQESA-N 1 2 215.293 1.095 20 0 BDADLO COc1nccc(Nc2c[nH+]c(C)c(N)c2)n1 ZINC001210284569 969850911 /nfs/dbraw/zinc/85/09/11/969850911.db2.gz IMOYVUKUNYFLII-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO Cc1[nH+]cc(Nc2ccncn2)cc1N ZINC001210285790 969853822 /nfs/dbraw/zinc/85/38/22/969853822.db2.gz RQKHEMKNSSCIAE-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO COc1cnc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210287161 969854300 /nfs/dbraw/zinc/85/43/00/969854300.db2.gz MRASFQAWAMFESV-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO C=CC(=O)NCCNc1c[nH+]cc(C)c1C ZINC001169808337 969862824 /nfs/dbraw/zinc/86/28/24/969862824.db2.gz ZBKJCLWNOGMKLU-UHFFFAOYSA-N 1 2 219.288 1.413 20 0 BDADLO Cc1nc(NCCc2cncs2)cc[nH+]1 ZINC001169866850 969878245 /nfs/dbraw/zinc/87/82/45/969878245.db2.gz PYWRTRUIWHXOCU-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO FC1(F)C[C@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169902305 969880294 /nfs/dbraw/zinc/88/02/94/969880294.db2.gz PTYUUACYXLQNFV-RKDXNWHRSA-N 1 2 233.258 1.669 20 0 BDADLO CC(C)c1ccc(N[C@@H]2CCN(C)C2=O)[nH+]c1 ZINC001156507252 969908797 /nfs/dbraw/zinc/90/87/97/969908797.db2.gz NCAKMOYQBOSNLS-LLVKDONJSA-N 1 2 233.315 1.848 20 0 BDADLO CNC(=O)[C@H](C)Nc1[nH+]cccc1-n1cccc1 ZINC001169979413 969931027 /nfs/dbraw/zinc/93/10/27/969931027.db2.gz LOAHRSIYARLOIG-JTQLQIEISA-N 1 2 244.298 1.419 20 0 BDADLO CC/C=C\CCN1CC[NH2+]CC(F)(F)C1 ZINC001210815599 970048409 /nfs/dbraw/zinc/04/84/09/970048409.db2.gz WXNZLVZRUZZXQI-ARJAWSKDSA-N 1 2 218.291 1.883 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+]([C@H]1CCSC1)C2 ZINC001255295848 970057842 /nfs/dbraw/zinc/05/78/42/970057842.db2.gz NDKKFSWZZMUWPR-VIFPVBQESA-N 1 2 224.329 1.847 20 0 BDADLO Cc1nc2c(o1)CC[N@H+]([C@H]1CCSC1)C2 ZINC001255295848 970057844 /nfs/dbraw/zinc/05/78/44/970057844.db2.gz NDKKFSWZZMUWPR-VIFPVBQESA-N 1 2 224.329 1.847 20 0 BDADLO CC(=O)[C@H](N[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001255412553 970126632 /nfs/dbraw/zinc/12/66/32/970126632.db2.gz SAZKQLITQDGUOP-KBPBESRZSA-N 1 2 232.327 1.610 20 0 BDADLO CC(=O)[C@H](N[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001255412553 970126640 /nfs/dbraw/zinc/12/66/40/970126640.db2.gz SAZKQLITQDGUOP-KBPBESRZSA-N 1 2 232.327 1.610 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CCC=CO1)n1cc[nH+]c1 ZINC001255391021 970128026 /nfs/dbraw/zinc/12/80/26/970128026.db2.gz NVTOGXZLNKFFMX-GHMZBOCLSA-N 1 2 235.287 1.253 20 0 BDADLO C[C@@H]1Oc2ccc(-c3c[nH+]cn3C)cc2NC1=O ZINC001243068978 970261045 /nfs/dbraw/zinc/26/10/45/970261045.db2.gz LPRWTJUCJCYRDY-QMMMGPOBSA-N 1 2 243.266 1.807 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CC(=O)N2 ZINC001243069308 970261542 /nfs/dbraw/zinc/26/15/42/970261542.db2.gz QHZSQQSJHXQJRA-UHFFFAOYSA-N 1 2 213.240 1.582 20 0 BDADLO Cc1c[nH+]cc(-n2cc(N)c(N)n2)c1C ZINC001213525232 970345207 /nfs/dbraw/zinc/34/52/07/970345207.db2.gz PGTZZAUNZSXZJT-UHFFFAOYSA-N 1 2 203.249 1.049 20 0 BDADLO Cc1nnc2n1CC[N@@H+]([C@@H](C)CC(F)(F)F)C2 ZINC001255657220 970438906 /nfs/dbraw/zinc/43/89/06/970438906.db2.gz FYDUHNUBBGFKFQ-ZETCQYMHSA-N 1 2 248.252 1.743 20 0 BDADLO Cc1nnc2n1CC[N@H+]([C@@H](C)CC(F)(F)F)C2 ZINC001255657220 970438917 /nfs/dbraw/zinc/43/89/17/970438917.db2.gz FYDUHNUBBGFKFQ-ZETCQYMHSA-N 1 2 248.252 1.743 20 0 BDADLO CC(=O)c1cc([NH+]=c2nc[nH]n2C)cs1 ZINC001214771346 970533999 /nfs/dbraw/zinc/53/39/99/970533999.db2.gz KGJAMRAHJDWWBN-UHFFFAOYSA-N 1 2 222.273 1.245 20 0 BDADLO CC[C@H]1C[C@@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206379 970574138 /nfs/dbraw/zinc/57/41/38/970574138.db2.gz GIKPLIPTSNNFSK-QWRGUYRKSA-N 1 2 248.317 1.485 20 0 BDADLO CC[C@H]1C[C@@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206379 970574141 /nfs/dbraw/zinc/57/41/41/970574141.db2.gz GIKPLIPTSNNFSK-QWRGUYRKSA-N 1 2 248.317 1.485 20 0 BDADLO CC[C@H]1C[C@@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001170206379 970574154 /nfs/dbraw/zinc/57/41/54/970574154.db2.gz GIKPLIPTSNNFSK-QWRGUYRKSA-N 1 2 248.317 1.485 20 0 BDADLO C[NH+]1CC(CNc2cc3nc[nH]c3cc2F)C1 ZINC001170258424 970648028 /nfs/dbraw/zinc/64/80/28/970648028.db2.gz KEYMWWGXWPDTEA-UHFFFAOYSA-N 1 2 234.278 1.676 20 0 BDADLO C[C@H](Cc1ccccc1Cl)[NH+]1CC(O)C1 ZINC001170265170 970649465 /nfs/dbraw/zinc/64/94/65/970649465.db2.gz FEYOPXBOWOKGNN-SECBINFHSA-N 1 2 225.719 1.948 20 0 BDADLO COc1cccc(C[C@@H](C)[N@@H+]2CCNC(=O)C2)c1 ZINC001256155337 970674560 /nfs/dbraw/zinc/67/45/60/970674560.db2.gz FRVZNQDZRZKAMV-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(C[C@@H](C)[N@H+]2CCNC(=O)C2)c1 ZINC001256155337 970674569 /nfs/dbraw/zinc/67/45/69/970674569.db2.gz FRVZNQDZRZKAMV-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO CC(C)CC[C@H](C)[NH2+]Cc1noc(C(N)=O)n1 ZINC001256355643 970752597 /nfs/dbraw/zinc/75/25/97/970752597.db2.gz ZXNXTQDIJKRFJC-QMMMGPOBSA-N 1 2 240.307 1.083 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cccc(O)c2C)C1 ZINC001144119179 972589839 /nfs/dbraw/zinc/58/98/39/972589839.db2.gz VYPRDBKDOJHBCW-UHFFFAOYSA-N 1 2 234.299 1.021 20 0 BDADLO Cn1c[nH+]cc1COCC[C@H]1COC(C)(C)O1 ZINC001222594629 972592738 /nfs/dbraw/zinc/59/27/38/972592738.db2.gz HVNYCAMITIGPSA-NSHDSACASA-N 1 2 240.303 1.478 20 0 BDADLO C[C@H](O)CCCC(=O)OCc1c[nH+]cn1C ZINC001222593966 972594885 /nfs/dbraw/zinc/59/48/85/972594885.db2.gz AJECPULWJDXUMY-VIFPVBQESA-N 1 2 226.276 1.014 20 0 BDADLO CCOC(=O)[C@H](OCc1c[nH+]cn1C)C1CC1 ZINC001222600460 972601027 /nfs/dbraw/zinc/60/10/27/972601027.db2.gz PWGXPNZRJQEEFL-LLVKDONJSA-N 1 2 238.287 1.278 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1CCCCC1=O ZINC001222601018 972601527 /nfs/dbraw/zinc/60/15/27/972601527.db2.gz XLUNVUYSSHGKEP-LLVKDONJSA-N 1 2 208.261 1.448 20 0 BDADLO CCC1(C)CC[NH+](Cc2nnc[nH]2)CC1 ZINC001327511025 972603973 /nfs/dbraw/zinc/60/39/73/972603973.db2.gz ADIAYWOJAUDCCV-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO c1cc2ccc(C[NH+]3CC4(C3)CCCO4)nc2[nH]1 ZINC001144172127 972646277 /nfs/dbraw/zinc/64/62/77/972646277.db2.gz XIKPLHSTJINZHO-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2cc[nH]c2n1 ZINC001144168876 972664909 /nfs/dbraw/zinc/66/49/09/972664909.db2.gz OPDHDJMDRHNODX-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2cc[nH]c2n1 ZINC001144168876 972664912 /nfs/dbraw/zinc/66/49/12/972664912.db2.gz OPDHDJMDRHNODX-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccc(O)cn2)cn1 ZINC001144263188 972714251 /nfs/dbraw/zinc/71/42/51/972714251.db2.gz NRCUFRBWVCLNHN-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccc(O)cn2)cn1 ZINC001144263188 972714265 /nfs/dbraw/zinc/71/42/65/972714265.db2.gz NRCUFRBWVCLNHN-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(O)cn1 ZINC001144265535 972720918 /nfs/dbraw/zinc/72/09/18/972720918.db2.gz OJTGJZFQRPLMHF-ZDUSSCGKSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(O)cn1 ZINC001144265535 972720927 /nfs/dbraw/zinc/72/09/27/972720927.db2.gz OJTGJZFQRPLMHF-ZDUSSCGKSA-N 1 2 236.315 1.644 20 0 BDADLO Oc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)nc1 ZINC001144263217 972733146 /nfs/dbraw/zinc/73/31/46/972733146.db2.gz OVPPSEBXIRFVFG-ZDUSSCGKSA-N 1 2 234.299 1.398 20 0 BDADLO Oc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)nc1 ZINC001144263217 972733157 /nfs/dbraw/zinc/73/31/57/972733157.db2.gz OVPPSEBXIRFVFG-ZDUSSCGKSA-N 1 2 234.299 1.398 20 0 BDADLO Cc1cc(CO[C@H](C)C[NH+]2CCOCC2)no1 ZINC001222974730 972777488 /nfs/dbraw/zinc/77/74/88/972777488.db2.gz YABAJHTZDAHQPV-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC/C=C\C1CC1 ZINC001327902004 972803762 /nfs/dbraw/zinc/80/37/62/972803762.db2.gz NMWPKXBQLDGPME-IHWYPQMZSA-N 1 2 219.288 1.045 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NC2C[NH+](C)C2)cc1 ZINC001144457433 972831466 /nfs/dbraw/zinc/83/14/66/972831466.db2.gz VQCBUHFTQLDORT-LLVKDONJSA-N 1 2 232.327 1.529 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC001327992275 972843593 /nfs/dbraw/zinc/84/35/93/972843593.db2.gz BWVURHMJZJJRTR-UWVGGRQHSA-N 1 2 221.304 1.606 20 0 BDADLO COc1cc(Cl)cc(C[NH+]2CC(CO)C2)c1 ZINC001144488571 972843865 /nfs/dbraw/zinc/84/38/65/972843865.db2.gz OJBDYMKMXHFJBW-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO CO[C@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001328077335 972868699 /nfs/dbraw/zinc/86/86/99/972868699.db2.gz GDVGDQAGMZYOKY-SNVBAGLBSA-N 1 2 247.298 1.489 20 0 BDADLO CO[C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001328077332 972868793 /nfs/dbraw/zinc/86/87/93/972868793.db2.gz GDVGDQAGMZYOKY-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO CC[NH+]1CC(OCc2ncc(C)cn2)C1 ZINC001223202066 972874090 /nfs/dbraw/zinc/87/40/90/972874090.db2.gz SSAHTVVDWOKTMR-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO C[C@H]1C[C@@H](O)CCN1Cc1[nH+]cn2ccccc12 ZINC001144624678 972890226 /nfs/dbraw/zinc/89/02/26/972890226.db2.gz PSUOPUCLBIPTFI-RYUDHWBXSA-N 1 2 245.326 1.680 20 0 BDADLO C[C@@H]1CC[C@@H](O)CN1Cc1[nH+]cn2ccccc12 ZINC001144615160 972890616 /nfs/dbraw/zinc/89/06/16/972890616.db2.gz FMCKQCFDYSCLGO-VXGBXAGGSA-N 1 2 245.326 1.680 20 0 BDADLO C[NH+]1CCN(Cc2cc(F)c(O)cc2F)CC1 ZINC001144646875 972908960 /nfs/dbraw/zinc/90/89/60/972908960.db2.gz OBIDJFRORNBZCK-UHFFFAOYSA-N 1 2 242.269 1.418 20 0 BDADLO Oc1cc(F)c(C[N@H+]2CCC[C@H](O)C2)cc1F ZINC001144647095 972909663 /nfs/dbraw/zinc/90/96/63/972909663.db2.gz YNFKYQPBXUVYFN-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Oc1cc(F)c(C[N@@H+]2CCC[C@H](O)C2)cc1F ZINC001144647095 972909679 /nfs/dbraw/zinc/90/96/79/972909679.db2.gz YNFKYQPBXUVYFN-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647223 972909862 /nfs/dbraw/zinc/90/98/62/972909862.db2.gz DBWAINPFWKVGTP-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647223 972909870 /nfs/dbraw/zinc/90/98/70/972909870.db2.gz DBWAINPFWKVGTP-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cc(F)c(O)cc1F ZINC001144647154 972912492 /nfs/dbraw/zinc/91/24/92/972912492.db2.gz AMZODMGMFIYBGS-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cc(F)c(O)cc1F ZINC001144647154 972912502 /nfs/dbraw/zinc/91/25/02/972912502.db2.gz AMZODMGMFIYBGS-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001328382024 973001678 /nfs/dbraw/zinc/00/16/78/973001678.db2.gz WDDOWPPKUJGSQZ-NEPJUHHUSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001328382024 973001697 /nfs/dbraw/zinc/00/16/97/973001697.db2.gz WDDOWPPKUJGSQZ-NEPJUHHUSA-N 1 2 234.347 1.859 20 0 BDADLO CC(C)[NH+]1CC(OCc2nccs2)C1 ZINC001223356622 973012360 /nfs/dbraw/zinc/01/23/60/973012360.db2.gz XVMBCJRLAMWALS-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO Cc1cccn2cc(COC3C[NH+](C)C3)nc12 ZINC001223359152 973016380 /nfs/dbraw/zinc/01/63/80/973016380.db2.gz PXKSRLJAZISIKN-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO C[NH+]1CC(OCc2cccc3nsnc32)C1 ZINC001223379844 973034241 /nfs/dbraw/zinc/03/42/41/973034241.db2.gz MAOKJLCYHZHRBS-UHFFFAOYSA-N 1 2 235.312 1.522 20 0 BDADLO C[C@H](C(=O)NCCC1CSC1)n1cc[nH+]c1 ZINC001328418184 973048239 /nfs/dbraw/zinc/04/82/39/973048239.db2.gz WHCZJURQZFAERW-SECBINFHSA-N 1 2 239.344 1.313 20 0 BDADLO Cc1ccc(Cc2nnc(C[NH+](C)C)o2)o1 ZINC001328434394 973058028 /nfs/dbraw/zinc/05/80/28/973058028.db2.gz YYYINHIIVNXJAZ-UHFFFAOYSA-N 1 2 221.260 1.623 20 0 BDADLO C[C@H](C(=O)NC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001328511795 973118302 /nfs/dbraw/zinc/11/83/02/973118302.db2.gz JTLUCYIPAJPGQE-SECBINFHSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CC[C@@H](C)O1)n1cc[nH+]c1 ZINC001328615128 973193145 /nfs/dbraw/zinc/19/31/45/973193145.db2.gz DAMUFINXNSAMMG-OUAUKWLOSA-N 1 2 237.303 1.128 20 0 BDADLO CC[NH+]1CC(OCc2nccc(OC)c2C)C1 ZINC001223622915 973195909 /nfs/dbraw/zinc/19/59/09/973195909.db2.gz ZAPNRVBWNXQXJT-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO C[NH+]1CC(OCc2ccc3c(c2)OCCO3)C1 ZINC001223741020 973247001 /nfs/dbraw/zinc/24/70/01/973247001.db2.gz ZTLJLGCCVHEQQX-UHFFFAOYSA-N 1 2 235.283 1.288 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)c1cc[nH]c1 ZINC001146892149 973322984 /nfs/dbraw/zinc/32/29/84/973322984.db2.gz QDMKFEWTOCQQRB-UHFFFAOYSA-N 1 2 231.255 1.219 20 0 BDADLO C[C@H](C(=O)N1CCCC(F)(F)C1)n1cc[nH+]c1 ZINC001328840662 973368889 /nfs/dbraw/zinc/36/88/89/973368889.db2.gz LHLAGISRHGAKAB-SECBINFHSA-N 1 2 243.257 1.702 20 0 BDADLO CC[NH+]1CC(OCc2cncc(C)n2)C1 ZINC001224030468 973413368 /nfs/dbraw/zinc/41/33/68/973413368.db2.gz NRKGBTXDHPFNKL-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CCOc1ccc(COC2C[NH+](C)C2)cn1 ZINC001224083458 973449577 /nfs/dbraw/zinc/44/95/77/973449577.db2.gz VBZWWDFRGSTWJY-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC(=O)Oc1cccc(COC2C[NH+](C)C2)c1 ZINC001224175619 973468038 /nfs/dbraw/zinc/46/80/38/973468038.db2.gz GHSNDHCMEWKHNY-UHFFFAOYSA-N 1 2 235.283 1.443 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)c1cscn1 ZINC001147378185 973569799 /nfs/dbraw/zinc/56/97/99/973569799.db2.gz MIYKEQJHPROCNI-UHFFFAOYSA-N 1 2 249.295 1.347 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cncnc1 ZINC001147425982 973584437 /nfs/dbraw/zinc/58/44/37/973584437.db2.gz GEYAFNJJPNZRRE-UHFFFAOYSA-N 1 2 240.266 1.035 20 0 BDADLO COc1ccccc1OCCOC1C[NH+](C)C1 ZINC001224404296 973622391 /nfs/dbraw/zinc/62/23/91/973622391.db2.gz ABDHZQXESWFGSK-UHFFFAOYSA-N 1 2 237.299 1.405 20 0 BDADLO Cc1ccoc1Cc1nnc(C[NH+](C)C)o1 ZINC001329324722 973679927 /nfs/dbraw/zinc/67/99/27/973679927.db2.gz XAGKPWANWUESFK-UHFFFAOYSA-N 1 2 221.260 1.623 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC001171319521 973801439 /nfs/dbraw/zinc/80/14/39/973801439.db2.gz IPHFXRLEDXBHOM-UTLUCORTSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC001171319521 973801440 /nfs/dbraw/zinc/80/14/40/973801440.db2.gz IPHFXRLEDXBHOM-UTLUCORTSA-N 1 2 241.360 1.549 20 0 BDADLO Cc1noc(C2C[NH+](Cc3cnc(C)o3)C2)n1 ZINC001329521085 973810990 /nfs/dbraw/zinc/81/09/90/973810990.db2.gz FELHCSMLTUSPFK-UHFFFAOYSA-N 1 2 234.259 1.274 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)Oc2ccccc2)c1 ZINC000170272409 973932123 /nfs/dbraw/zinc/93/21/23/973932123.db2.gz FTQGZEFCJAAILG-UHFFFAOYSA-N 1 2 245.282 1.751 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001329793821 973938302 /nfs/dbraw/zinc/93/83/02/973938302.db2.gz XRXYIRPGOWILQP-NXEZZACHSA-N 1 2 249.314 1.199 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001329793821 973938311 /nfs/dbraw/zinc/93/83/11/973938311.db2.gz XRXYIRPGOWILQP-NXEZZACHSA-N 1 2 249.314 1.199 20 0 BDADLO CC(C)=CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093458049 974024278 /nfs/dbraw/zinc/02/42/78/974024278.db2.gz WCAFLCNMWPZYOU-UHFFFAOYSA-N 1 2 234.303 1.279 20 0 BDADLO CCCCOC(=O)NCCc1cn(C)c[nH+]1 ZINC000170276393 974030628 /nfs/dbraw/zinc/03/06/28/974030628.db2.gz MWWFRCDAWRNFBP-UHFFFAOYSA-N 1 2 225.292 1.489 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@@H]1COCCO1 ZINC001224964105 974106630 /nfs/dbraw/zinc/10/66/30/974106630.db2.gz TWBPEPLNUBBZHY-LLVKDONJSA-N 1 2 245.319 1.602 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795460 974187432 /nfs/dbraw/zinc/18/74/32/974187432.db2.gz WTKQPGPOOWQJEL-MWLCHTKSSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795460 974187442 /nfs/dbraw/zinc/18/74/42/974187442.db2.gz WTKQPGPOOWQJEL-MWLCHTKSSA-N 1 2 248.301 1.113 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cccnc1 ZINC001204077231 974211408 /nfs/dbraw/zinc/21/14/08/974211408.db2.gz MFAXHQJDJREBGM-FRRDWIJNSA-N 1 2 246.310 1.608 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cccnc1 ZINC001204077231 974211432 /nfs/dbraw/zinc/21/14/32/974211432.db2.gz MFAXHQJDJREBGM-FRRDWIJNSA-N 1 2 246.310 1.608 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC/C=C\C1CC1 ZINC001330478917 974274418 /nfs/dbraw/zinc/27/44/18/974274418.db2.gz NGLDZNVXYCNDCH-UPHRSURJSA-N 1 2 219.288 1.425 20 0 BDADLO CN(C)c1cccc(OC2C[NH+](C)C2)c1 ZINC001225230772 974280585 /nfs/dbraw/zinc/28/05/85/974280585.db2.gz CXCGIWRVVFWLGX-UHFFFAOYSA-N 1 2 206.289 1.445 20 0 BDADLO CC(=O)[C@@H](C)Oc1cccnc1C[NH+](C)C ZINC001225278854 974344222 /nfs/dbraw/zinc/34/42/22/974344222.db2.gz SHQOGHHHZWPHHI-SNVBAGLBSA-N 1 2 222.288 1.500 20 0 BDADLO COC(C[C@H](C)Oc1cc[nH+]cc1)OC ZINC001225291749 974352510 /nfs/dbraw/zinc/35/25/10/974352510.db2.gz XWRJQLRDRIXQKP-VIFPVBQESA-N 1 2 211.261 1.858 20 0 BDADLO CC1=C[C@@H](Oc2cc[nH+]cc2)CC(=O)O1 ZINC001225291703 974364337 /nfs/dbraw/zinc/36/43/37/974364337.db2.gz WNGLHSRQHGBDFQ-SNVBAGLBSA-N 1 2 205.213 1.680 20 0 BDADLO c1nnc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)[nH]1 ZINC001330687716 974417094 /nfs/dbraw/zinc/41/70/94/974417094.db2.gz BKXWAURMUIPPJR-YPMHNXCESA-N 1 2 244.298 1.425 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)[nH]n1 ZINC001330701058 974427435 /nfs/dbraw/zinc/42/74/35/974427435.db2.gz BSDAGNNRCVFSNF-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)[nH]n1 ZINC001330701058 974427445 /nfs/dbraw/zinc/42/74/45/974427445.db2.gz BSDAGNNRCVFSNF-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1C=CCCC1 ZINC001330757842 974455092 /nfs/dbraw/zinc/45/50/92/974455092.db2.gz HNCDZPQAMDJJTQ-MNOVXSKESA-N 1 2 246.314 1.216 20 0 BDADLO C[NH+]1CCC(Oc2nc(Cl)cc(=O)[nH]2)CC1 ZINC001225556987 974551119 /nfs/dbraw/zinc/55/11/19/974551119.db2.gz ANZTUABRPKIVHJ-UHFFFAOYSA-N 1 2 243.694 1.309 20 0 BDADLO Cc1conc1CN1CCn2c[nH+]cc2C1 ZINC001331111653 974607640 /nfs/dbraw/zinc/60/76/40/974607640.db2.gz XFVRPKFNARJSGT-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172361426 974633996 /nfs/dbraw/zinc/63/39/96/974633996.db2.gz WGDOMXYISPHKIX-KKOKHZNYSA-N 1 2 243.347 1.325 20 0 BDADLO CCOCC[C@@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001172412626 974677122 /nfs/dbraw/zinc/67/71/22/974677122.db2.gz ZSLSEZGHAKETAT-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C)cc2C(=O)OC)C1 ZINC001225877383 974712368 /nfs/dbraw/zinc/71/23/68/974712368.db2.gz YHHZIYKXEAUCOI-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO O=C(Cc1cscn1)N[C@H]1CCn2c[nH+]cc21 ZINC001331478322 974737635 /nfs/dbraw/zinc/73/76/35/974737635.db2.gz KOKZVLPPNWBTID-VIFPVBQESA-N 1 2 248.311 1.143 20 0 BDADLO Cc1cnc(NCC[N@H+]2CCOC[C@@H]2C)o1 ZINC001331550794 974758053 /nfs/dbraw/zinc/75/80/53/974758053.db2.gz JLPCRHUPEBHCKT-VIFPVBQESA-N 1 2 225.292 1.116 20 0 BDADLO Cc1cnc(NCC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001331550794 974758055 /nfs/dbraw/zinc/75/80/55/974758055.db2.gz JLPCRHUPEBHCKT-VIFPVBQESA-N 1 2 225.292 1.116 20 0 BDADLO COC(=O)C[NH2+][C@H](C)CCOCC(C)C ZINC001172454686 974818901 /nfs/dbraw/zinc/81/89/01/974818901.db2.gz ARVBIVKACJMPEO-SNVBAGLBSA-N 1 2 217.309 1.200 20 0 BDADLO OC1C[NH+](Cc2ccc(Nc3ccon3)cc2)C1 ZINC001212664556 974830082 /nfs/dbraw/zinc/83/00/82/974830082.db2.gz SIIPRGXMKQJXEK-UHFFFAOYSA-N 1 2 245.282 1.595 20 0 BDADLO CC[C@H]([NH2+]Cc1ncn[nH]1)[C@@H]1CCCOC1 ZINC001331838098 974831814 /nfs/dbraw/zinc/83/18/14/974831814.db2.gz UCPAAEOVUGLYLX-ZJUUUORDSA-N 1 2 224.308 1.100 20 0 BDADLO CC(=O)Nc1cccnc1OC1C[NH+](C(C)C)C1 ZINC001226313374 974854794 /nfs/dbraw/zinc/85/47/94/974854794.db2.gz QHBNWFGZVKCLIC-UHFFFAOYSA-N 1 2 249.314 1.511 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001172611799 974888197 /nfs/dbraw/zinc/88/81/97/974888197.db2.gz QQWAUIFHMRQCEL-LNFKQOIKSA-N 1 2 247.285 1.710 20 0 BDADLO CC(C)OC(=O)CC[C@@H](C)[NH+]1CC2(CCO2)C1 ZINC001172759818 974933001 /nfs/dbraw/zinc/93/30/01/974933001.db2.gz SNQQXIZLFSZDGH-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO O=c1c2ccc[nH]c-2cn1C[NH+]1CCC(F)CC1 ZINC001332137467 974970422 /nfs/dbraw/zinc/97/04/22/974970422.db2.gz YEDYAHRXNQBUET-UHFFFAOYSA-N 1 2 249.289 1.429 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3ccsc32)C1 ZINC001226619829 974982587 /nfs/dbraw/zinc/98/25/87/974982587.db2.gz LXIVQFJYPYVHAW-UHFFFAOYSA-N 1 2 235.312 1.774 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1F)n1cc[nH+]c1 ZINC001332187823 974999192 /nfs/dbraw/zinc/99/91/92/974999192.db2.gz PTGJVYHTOXPPLR-OUAUKWLOSA-N 1 2 239.294 1.841 20 0 BDADLO CCc1nccc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC001332197003 975001591 /nfs/dbraw/zinc/00/15/91/975001591.db2.gz DLZAWECTXFWTKZ-NSHDSACASA-N 1 2 245.330 1.984 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC(=O)CC1 ZINC001332311630 975051418 /nfs/dbraw/zinc/05/14/18/975051418.db2.gz OPQJYUJEXFMPBT-VIFPVBQESA-N 1 2 249.314 1.216 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC(=O)CC1 ZINC001332311630 975051425 /nfs/dbraw/zinc/05/14/25/975051425.db2.gz OPQJYUJEXFMPBT-VIFPVBQESA-N 1 2 249.314 1.216 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1cc(F)ccn1 ZINC001226767392 975067779 /nfs/dbraw/zinc/06/77/79/975067779.db2.gz JEVYKAGEBJIZBG-SNVBAGLBSA-N 1 2 240.278 1.320 20 0 BDADLO Cc1c(F)cccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001226773952 975072479 /nfs/dbraw/zinc/07/24/79/975072479.db2.gz JHSQPHAWHXNKPA-LLVKDONJSA-N 1 2 239.290 1.844 20 0 BDADLO Cc1c(F)cccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001226773952 975072482 /nfs/dbraw/zinc/07/24/82/975072482.db2.gz JHSQPHAWHXNKPA-LLVKDONJSA-N 1 2 239.290 1.844 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001332381263 975083098 /nfs/dbraw/zinc/08/30/98/975083098.db2.gz ZFOMVULBUWWWDX-NEPJUHHUSA-N 1 2 247.342 1.991 20 0 BDADLO COc1ccnc(OC2C[NH+](C(C)C)C2)c1 ZINC001226821131 975099051 /nfs/dbraw/zinc/09/90/51/975099051.db2.gz OXKCGVSETIVVDX-UHFFFAOYSA-N 1 2 222.288 1.562 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cnnn1C ZINC001332459253 975143934 /nfs/dbraw/zinc/14/39/34/975143934.db2.gz LNEQWYPTPNNGSC-PSASIEDQSA-N 1 2 246.318 1.325 20 0 BDADLO CCSC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001173306518 975213877 /nfs/dbraw/zinc/21/38/77/975213877.db2.gz VNAYZVQUYYYNTC-VGMNWLOBSA-N 1 2 234.340 1.026 20 0 BDADLO CCSC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001173306518 975213881 /nfs/dbraw/zinc/21/38/81/975213881.db2.gz VNAYZVQUYYYNTC-VGMNWLOBSA-N 1 2 234.340 1.026 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ncccc2Cl)C1 ZINC001227119171 975286766 /nfs/dbraw/zinc/28/67/66/975286766.db2.gz STCOGMMFNZFGTI-VIFPVBQESA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ncccc2Cl)C1 ZINC001227119171 975286769 /nfs/dbraw/zinc/28/67/69/975286769.db2.gz STCOGMMFNZFGTI-VIFPVBQESA-N 1 2 242.706 1.444 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001332939010 975328532 /nfs/dbraw/zinc/32/85/32/975328532.db2.gz VTZPETAJJWMRGS-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001332939010 975328539 /nfs/dbraw/zinc/32/85/39/975328539.db2.gz VTZPETAJJWMRGS-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO Cc1cc[nH+]c(C)c1OC1COCOC1 ZINC001227262995 975341167 /nfs/dbraw/zinc/34/11/67/975341167.db2.gz AZYBWFJNVYIETP-UHFFFAOYSA-N 1 2 209.245 1.450 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](OC)C1CC1)C1CC1 ZINC001332963184 975341742 /nfs/dbraw/zinc/34/17/42/975341742.db2.gz XHXBSXYWBDFNKY-RYUDHWBXSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCS(=O)(=O)C1 ZINC001227265591 975343378 /nfs/dbraw/zinc/34/33/78/975343378.db2.gz UOZCACWLYSAEIU-SNVBAGLBSA-N 1 2 241.312 1.264 20 0 BDADLO Cc1ccn([C@@H](C)Cc2nnc(C[NH+](C)C)o2)n1 ZINC001333120314 975456479 /nfs/dbraw/zinc/45/64/79/975456479.db2.gz DRFFHJYQUPQWKP-JTQLQIEISA-N 1 2 249.318 1.440 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2ncnc3[nH]cnc32)C1 ZINC001227531922 975506637 /nfs/dbraw/zinc/50/66/37/975506637.db2.gz NWQSJCVKZVXAFY-UHFFFAOYSA-N 1 2 247.302 1.214 20 0 BDADLO CC1(F)C[NH+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173748583 975539734 /nfs/dbraw/zinc/53/97/34/975539734.db2.gz PRLHOFRPWBWMDQ-NXEZZACHSA-N 1 2 239.298 1.201 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(F)cc1 ZINC001173797317 975635974 /nfs/dbraw/zinc/63/59/74/975635974.db2.gz KBHKFPCGPKLHJV-UHFFFAOYSA-N 1 2 249.245 1.770 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ncnn1C ZINC001333320895 975655933 /nfs/dbraw/zinc/65/59/33/975655933.db2.gz GOLHLNNYXPALLR-NXEZZACHSA-N 1 2 246.318 1.197 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ncnn1C ZINC001333320898 975655965 /nfs/dbraw/zinc/65/59/65/975655965.db2.gz GOLHLNNYXPALLR-ZJUUUORDSA-N 1 2 246.318 1.197 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCc2ccns2)no1 ZINC001333329342 975663595 /nfs/dbraw/zinc/66/35/95/975663595.db2.gz VMPJJYZUHKYZPS-SSDOTTSWSA-N 1 2 238.316 1.728 20 0 BDADLO CCC[C@H](C[NH2+][C@H](C(=O)OCC)C1CC1)OC ZINC001333370083 975719567 /nfs/dbraw/zinc/71/95/67/975719567.db2.gz DKBHZQIBNLNLRC-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(F)cc(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001227848325 975738403 /nfs/dbraw/zinc/73/84/03/975738403.db2.gz PQLIPZKUCWLKAG-ZDUSSCGKSA-N 1 2 239.290 1.844 20 0 BDADLO Cc1cc(F)cc(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001227848325 975738418 /nfs/dbraw/zinc/73/84/18/975738418.db2.gz PQLIPZKUCWLKAG-ZDUSSCGKSA-N 1 2 239.290 1.844 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1C ZINC001333465028 975798153 /nfs/dbraw/zinc/79/81/53/975798153.db2.gz DQMRXVNGXSOMEU-GMSGAONNSA-N 1 2 246.318 1.414 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1CCOC12CCCC2 ZINC001333481059 975807362 /nfs/dbraw/zinc/80/73/62/975807362.db2.gz VANITCJTQPJCGL-NSHDSACASA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cnc(NC(=O)CCn2cc[nH+]c2)o1 ZINC001333481430 975808118 /nfs/dbraw/zinc/80/81/18/975808118.db2.gz JNKXKYQDEZANDJ-UHFFFAOYSA-N 1 2 220.232 1.208 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001333525104 975827562 /nfs/dbraw/zinc/82/75/62/975827562.db2.gz ITKNLVMWUVMYLW-SECBINFHSA-N 1 2 223.276 1.406 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001333525104 975827563 /nfs/dbraw/zinc/82/75/63/975827563.db2.gz ITKNLVMWUVMYLW-SECBINFHSA-N 1 2 223.276 1.406 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cnn(C)c2C)n1 ZINC001333594234 975879785 /nfs/dbraw/zinc/87/97/85/975879785.db2.gz ZNYFSLGCFGPKKI-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO CN(CC1CC1)c1nccn2c[nH+]cc12 ZINC001333679525 975972850 /nfs/dbraw/zinc/97/28/50/975972850.db2.gz RUWUGANNAKMCOR-UHFFFAOYSA-N 1 2 202.261 1.576 20 0 BDADLO C[NH+]1CC(Oc2cccc3sc(N)nc32)C1 ZINC001228237483 976009753 /nfs/dbraw/zinc/00/97/53/976009753.db2.gz LJNGQKOOCMWJKO-UHFFFAOYSA-N 1 2 235.312 1.571 20 0 BDADLO C[C@H]1C[N@H+](CCCC(F)(F)F)CC(=O)N1C ZINC001333732453 976041230 /nfs/dbraw/zinc/04/12/30/976041230.db2.gz IVJDXUDEOTWBJS-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO c1cc(C[NH2+]Cc2noc3c2COCC3)ccn1 ZINC001333792288 976084174 /nfs/dbraw/zinc/08/41/74/976084174.db2.gz VFPPFTOYQYJJLK-UHFFFAOYSA-N 1 2 245.282 1.432 20 0 BDADLO Cc1[nH]c2ccc(O[C@H](C)CON)cc2[nH+]1 ZINC001228329944 976128862 /nfs/dbraw/zinc/12/88/62/976128862.db2.gz SRFHTJSISUCDBK-SSDOTTSWSA-N 1 2 221.260 1.529 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)ncn3C)C1 ZINC001228343407 976135761 /nfs/dbraw/zinc/13/57/61/976135761.db2.gz HRQSBLPRLZBVNG-UHFFFAOYSA-N 1 2 231.299 1.656 20 0 BDADLO CCc1nc(NC[C@@H](C)C(=O)OC)cc[nH+]1 ZINC001333885563 976141106 /nfs/dbraw/zinc/14/11/06/976141106.db2.gz VQTZYLMEHKJRBZ-MRVPVSSYSA-N 1 2 223.276 1.260 20 0 BDADLO CCc1nccc(N(C)CCCn2cc[nH+]c2)n1 ZINC001333927233 976166189 /nfs/dbraw/zinc/16/61/89/976166189.db2.gz QEIKWERNFYPUQH-UHFFFAOYSA-N 1 2 245.330 1.762 20 0 BDADLO Cc1cc(N2CCn3c[nH+]cc3C2)nc(F)n1 ZINC001333943526 976182378 /nfs/dbraw/zinc/18/23/78/976182378.db2.gz NLQGQPKVHLYEJR-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1F ZINC001334199333 976366568 /nfs/dbraw/zinc/36/65/68/976366568.db2.gz XOOQYFDIWWJOTJ-NXEZZACHSA-N 1 2 234.278 1.914 20 0 BDADLO C[NH+](C)Cc1ccncc1Br ZINC000259469644 976384206 /nfs/dbraw/zinc/38/42/06/976384206.db2.gz MNNMTSIVTDNKIF-UHFFFAOYSA-N 1 2 215.094 1.906 20 0 BDADLO Cc1cc(OC2C[NH+](C)C2)nc2ncccc12 ZINC001228617673 976384956 /nfs/dbraw/zinc/38/49/56/976384956.db2.gz SORCACGVQKEGDO-UHFFFAOYSA-N 1 2 229.283 1.631 20 0 BDADLO CCc1ncc(CN2CCn3c[nH+]cc3C2)o1 ZINC001334258963 976409027 /nfs/dbraw/zinc/40/90/27/976409027.db2.gz SYBMWEVECDVMTC-UHFFFAOYSA-N 1 2 232.287 1.449 20 0 BDADLO COc1ncc(OC2C[NH+](C)C2)cc1C ZINC001228662048 976417366 /nfs/dbraw/zinc/41/73/66/976417366.db2.gz BLTAMLKHPKCRHC-UHFFFAOYSA-N 1 2 208.261 1.091 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc3[nH]nnc3c2)C1 ZINC001228667662 976427542 /nfs/dbraw/zinc/42/75/42/976427542.db2.gz PHLMVAUEJSUGHN-UHFFFAOYSA-N 1 2 232.287 1.429 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc3n[nH]nc3c2)C1 ZINC001228667662 976427549 /nfs/dbraw/zinc/42/75/49/976427549.db2.gz PHLMVAUEJSUGHN-UHFFFAOYSA-N 1 2 232.287 1.429 20 0 BDADLO C[C@@H](C[NH+](C)C)Oc1nc(-c2cccnc2)n[nH]1 ZINC001228695101 976443137 /nfs/dbraw/zinc/44/31/37/976443137.db2.gz JKZBZMHBLNINPY-VIFPVBQESA-N 1 2 247.302 1.196 20 0 BDADLO C[NH+]1CC(Oc2cnc3c(c2)CCCC3)C1 ZINC001228778574 976492150 /nfs/dbraw/zinc/49/21/50/976492150.db2.gz MHYAWQPNIPRLHU-UHFFFAOYSA-N 1 2 218.300 1.653 20 0 BDADLO Cc1c[nH+]c(Nc2ccc(=O)n(C)c2)c(N)c1 ZINC001174355709 976599070 /nfs/dbraw/zinc/59/90/70/976599070.db2.gz MWKTVSBREVWAHI-UHFFFAOYSA-N 1 2 230.271 1.415 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc(=O)n(C)c1 ZINC001174355915 976599798 /nfs/dbraw/zinc/59/97/98/976599798.db2.gz XQARRLSIHDNFDT-UHFFFAOYSA-N 1 2 231.255 1.533 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc2ncnn2c1 ZINC001174373046 976613820 /nfs/dbraw/zinc/61/38/20/976613820.db2.gz WRAWFXCBGLWEOX-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC001334900683 976781074 /nfs/dbraw/zinc/78/10/74/976781074.db2.gz CUZVSAZMVRASLK-UHFFFAOYSA-N 1 2 238.287 1.000 20 0 BDADLO CCOc1ccc(C[N@H+]2CCNC(=O)CC2)o1 ZINC001334900683 976781078 /nfs/dbraw/zinc/78/10/78/976781078.db2.gz CUZVSAZMVRASLK-UHFFFAOYSA-N 1 2 238.287 1.000 20 0 BDADLO C[NH+]1CC(Oc2[nH]c(=O)cc3c2CCCC3)C1 ZINC001229175226 976786520 /nfs/dbraw/zinc/78/65/20/976786520.db2.gz LHPWUZAVVIQSQW-UHFFFAOYSA-N 1 2 234.299 1.359 20 0 BDADLO Cl/C=C/CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001335005858 976824398 /nfs/dbraw/zinc/82/43/98/976824398.db2.gz KGWDYWOJWNURAR-OWOJBTEDSA-N 1 2 240.738 1.280 20 0 BDADLO OCC12CCC(CC1)N2c1nccn2c[nH+]cc12 ZINC001335089211 976847085 /nfs/dbraw/zinc/84/70/85/976847085.db2.gz NRZWPYWJULWOFR-UHFFFAOYSA-N 1 2 244.298 1.223 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001335300151 976938018 /nfs/dbraw/zinc/93/80/18/976938018.db2.gz WVUFHKIIXDPMJF-QMMMGPOBSA-N 1 2 209.249 1.016 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001335300151 976938030 /nfs/dbraw/zinc/93/80/30/976938030.db2.gz WVUFHKIIXDPMJF-QMMMGPOBSA-N 1 2 209.249 1.016 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC1(C)CC1 ZINC001335398516 977031172 /nfs/dbraw/zinc/03/11/72/977031172.db2.gz PYJJRAKEULQXHE-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO COCn1ncc(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC001335419177 977039973 /nfs/dbraw/zinc/03/99/73/977039973.db2.gz CCZUSBKYBUQROA-UHFFFAOYSA-N 1 2 249.318 1.151 20 0 BDADLO COCn1ncc(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC001335419177 977039990 /nfs/dbraw/zinc/03/99/90/977039990.db2.gz CCZUSBKYBUQROA-UHFFFAOYSA-N 1 2 249.318 1.151 20 0 BDADLO CCOCCN(C)c1nccn2c[nH+]cc12 ZINC001335471699 977082940 /nfs/dbraw/zinc/08/29/40/977082940.db2.gz PWSJVDGDEGISPD-UHFFFAOYSA-N 1 2 220.276 1.202 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc(F)ccc2O)C1 ZINC001230295289 977174494 /nfs/dbraw/zinc/17/44/94/977174494.db2.gz VCERBFHGHRSXBM-SNVBAGLBSA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc(F)ccc2O)C1 ZINC001230295289 977174501 /nfs/dbraw/zinc/17/45/01/977174501.db2.gz VCERBFHGHRSXBM-SNVBAGLBSA-N 1 2 241.262 1.241 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cnc(C3CC3)nc2)C1 ZINC001230750560 977324844 /nfs/dbraw/zinc/32/48/44/977324844.db2.gz AKADJDCMWOKNAV-LBPRGKRZSA-N 1 2 249.314 1.063 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cnc(C3CC3)nc2)C1 ZINC001230750560 977324852 /nfs/dbraw/zinc/32/48/52/977324852.db2.gz AKADJDCMWOKNAV-LBPRGKRZSA-N 1 2 249.314 1.063 20 0 BDADLO Oc1cc2c(cc1O[C@@H]1CCCOC1)CC[NH+]=C2 ZINC001230920853 977382101 /nfs/dbraw/zinc/38/21/01/977382101.db2.gz WGROTENWOWZNKO-GFCCVEGCSA-N 1 2 247.294 1.925 20 0 BDADLO CN(C)c1ccc(Nc2cn(C)cn2)c[nH+]1 ZINC001175337758 977383349 /nfs/dbraw/zinc/38/33/49/977383349.db2.gz MKGHPQJRJDCAQI-UHFFFAOYSA-N 1 2 217.276 1.625 20 0 BDADLO O=C1C[C@H](Oc2cc3c(cc2O)C=[NH+]CC3)CO1 ZINC001230919630 977385239 /nfs/dbraw/zinc/38/52/39/977385239.db2.gz FYLGVBWHLWXPHZ-JTQLQIEISA-N 1 2 247.250 1.062 20 0 BDADLO CN(C)c1ccc(Nc2ncccc2O)c[nH+]1 ZINC001175338816 977388691 /nfs/dbraw/zinc/38/86/91/977388691.db2.gz LZUIAFJQBCUEAB-UHFFFAOYSA-N 1 2 230.271 1.992 20 0 BDADLO Cc1c[nH+]c(Nc2cnc3n[nH]cc3c2)c(N)c1 ZINC001175402435 977415555 /nfs/dbraw/zinc/41/55/55/977415555.db2.gz VWPBOCWVCVHZMW-UHFFFAOYSA-N 1 2 240.270 1.987 20 0 BDADLO CC(=O)NCCC[N@@H+](C)C/C(Cl)=C\Cl ZINC001230983701 977416784 /nfs/dbraw/zinc/41/67/84/977416784.db2.gz CTACPGBFAQBBBV-RMKNXTFCSA-N 1 2 239.146 1.763 20 0 BDADLO CC(=O)NCCC[N@H+](C)C/C(Cl)=C\Cl ZINC001230983701 977416788 /nfs/dbraw/zinc/41/67/88/977416788.db2.gz CTACPGBFAQBBBV-RMKNXTFCSA-N 1 2 239.146 1.763 20 0 BDADLO CC/C=C(/C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001231005395 977422399 /nfs/dbraw/zinc/42/23/99/977422399.db2.gz PRYNNLBZHSRFHM-DKRCXCIFSA-N 1 2 242.338 1.845 20 0 BDADLO CC/C=C(/C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001231005395 977422403 /nfs/dbraw/zinc/42/24/03/977422403.db2.gz PRYNNLBZHSRFHM-DKRCXCIFSA-N 1 2 242.338 1.845 20 0 BDADLO C[N@@H+]1CCCC(=Nc2ccc(Cl)nn2)C1 ZINC001175574574 977575261 /nfs/dbraw/zinc/57/52/61/977575261.db2.gz ZQSOAULUIHPQCX-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCCC(=Nc2ccc(Cl)nn2)C1 ZINC001175574574 977575266 /nfs/dbraw/zinc/57/52/66/977575266.db2.gz ZQSOAULUIHPQCX-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@@H+]1CCC=C(Nc2ccc(Cl)nn2)C1 ZINC001175574574 977575272 /nfs/dbraw/zinc/57/52/72/977575272.db2.gz ZQSOAULUIHPQCX-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCC=C(Nc2ccc(Cl)nn2)C1 ZINC001175574574 977575279 /nfs/dbraw/zinc/57/52/79/977575279.db2.gz ZQSOAULUIHPQCX-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)CCC1CC1 ZINC001231350650 977579197 /nfs/dbraw/zinc/57/91/97/977579197.db2.gz UBHSEPSIBFCBLJ-GFCCVEGCSA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)CCC1CC1 ZINC001231350650 977579208 /nfs/dbraw/zinc/57/92/08/977579208.db2.gz UBHSEPSIBFCBLJ-GFCCVEGCSA-N 1 2 242.338 1.679 20 0 BDADLO O=C(Cc1cc[nH]n1)Nc1cccc2[nH+]ccn21 ZINC001175694462 977628608 /nfs/dbraw/zinc/62/86/08/977628608.db2.gz XEDCJWIYOLWSGJ-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO C[C@@H](C1CC1)N(C)c1nccn2c[nH+]cc12 ZINC001336466517 977702408 /nfs/dbraw/zinc/70/24/08/977702408.db2.gz SZAXOJSFNIBDQR-VIFPVBQESA-N 1 2 216.288 1.964 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CC[C@H]1C ZINC001231741377 977722969 /nfs/dbraw/zinc/72/29/69/977722969.db2.gz UPOWWENBQVHWHH-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CC[C@H]1C ZINC001231741377 977722981 /nfs/dbraw/zinc/72/29/81/977722981.db2.gz UPOWWENBQVHWHH-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO CCc1ccc(NCC[S@@](=O)CC)[nH+]c1 ZINC001336502544 977724477 /nfs/dbraw/zinc/72/44/77/977724477.db2.gz CSELGFKEKNBNBZ-HNNXBMFYSA-N 1 2 226.345 1.825 20 0 BDADLO CCCCc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC001231779529 977740554 /nfs/dbraw/zinc/74/05/54/977740554.db2.gz DCIDVSQFESZWLV-UHFFFAOYSA-N 1 2 246.354 1.961 20 0 BDADLO CCCCc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC001231779529 977740570 /nfs/dbraw/zinc/74/05/70/977740570.db2.gz DCIDVSQFESZWLV-UHFFFAOYSA-N 1 2 246.354 1.961 20 0 BDADLO Cc1cc(C[NH+]2CC3(COC3)C2)cnc1F ZINC001231922537 977800561 /nfs/dbraw/zinc/80/05/61/977800561.db2.gz AZVWOYMXQIZSAB-UHFFFAOYSA-N 1 2 222.263 1.361 20 0 BDADLO COc1cnc(C[N@H+](C)C2CC(F)(F)C2)cn1 ZINC001231934323 977804055 /nfs/dbraw/zinc/80/40/55/977804055.db2.gz QIJIGEXHKKUYET-UHFFFAOYSA-N 1 2 243.257 1.715 20 0 BDADLO COc1cnc(C[N@@H+](C)C2CC(F)(F)C2)cn1 ZINC001231934323 977804061 /nfs/dbraw/zinc/80/40/61/977804061.db2.gz QIJIGEXHKKUYET-UHFFFAOYSA-N 1 2 243.257 1.715 20 0 BDADLO c1[nH]nc2c1cccc2C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001231975387 977817283 /nfs/dbraw/zinc/81/72/83/977817283.db2.gz NNNCKSKGEIMNCM-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2c1cccc2C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001231975387 977817286 /nfs/dbraw/zinc/81/72/86/977817286.db2.gz NNNCKSKGEIMNCM-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO CC(C)(C)[S@@](C)(=O)=NC(=O)Cc1c[nH]c[nH+]1 ZINC001336643802 977827697 /nfs/dbraw/zinc/82/76/97/977827697.db2.gz PBHVUVHUQFZLMO-MRXNPFEDSA-N 1 2 243.332 1.375 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@](O)(C(F)F)C2)[nH+]1 ZINC001336647120 977827949 /nfs/dbraw/zinc/82/79/49/977827949.db2.gz LLLMYCYDUYOJBV-NSHDSACASA-N 1 2 246.232 1.735 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(Cl)cnc2F)C[C@H]1O ZINC001231991059 977827979 /nfs/dbraw/zinc/82/79/79/977827979.db2.gz PSSUOEWXLUAUHD-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(Cl)cnc2F)C[C@H]1O ZINC001231991059 977827980 /nfs/dbraw/zinc/82/79/80/977827980.db2.gz PSSUOEWXLUAUHD-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[N@H+](Cc1cncc(O)c1)Cc1ccccn1 ZINC001232039570 977861609 /nfs/dbraw/zinc/86/16/09/977861609.db2.gz UMFZZBULDAACGU-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1cncc(O)c1)Cc1ccccn1 ZINC001232039570 977861612 /nfs/dbraw/zinc/86/16/12/977861612.db2.gz UMFZZBULDAACGU-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO Cc1nccnc1[C@H](C)Nc1cc(N)nc[nH+]1 ZINC001336699557 977862899 /nfs/dbraw/zinc/86/28/99/977862899.db2.gz ULXYHPRMZOBMJY-QMMMGPOBSA-N 1 2 230.275 1.330 20 0 BDADLO Oc1cc(Cl)cnc1Nc1[nH]cc[nH+]1 ZINC001176078927 977870527 /nfs/dbraw/zinc/87/05/27/977870527.db2.gz CUAGXTNCGMZLTG-UHFFFAOYSA-N 1 2 210.624 1.907 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc3ncccc3[nH]2)C[C@@H]1F ZINC001232061524 977874848 /nfs/dbraw/zinc/87/48/48/977874848.db2.gz IGHSGIDZJZSGDL-GXFFZTMASA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc3ncccc3[nH]2)C[C@@H]1F ZINC001232061524 977874854 /nfs/dbraw/zinc/87/48/54/977874854.db2.gz IGHSGIDZJZSGDL-GXFFZTMASA-N 1 2 249.289 1.732 20 0 BDADLO CCn1ccnc(NCc2[nH]c(C)c(C)[nH+]2)c1=O ZINC001336727519 977885646 /nfs/dbraw/zinc/88/56/46/977885646.db2.gz XMULRHQSYQSLJV-UHFFFAOYSA-N 1 2 247.302 1.215 20 0 BDADLO Cn1cc(C[NH+]2CCC2)c(C(F)(F)F)n1 ZINC001232083329 977886139 /nfs/dbraw/zinc/88/61/39/977886139.db2.gz YYHWWERGDOJZSM-UHFFFAOYSA-N 1 2 219.210 1.645 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cn(C)nc1C1CC1 ZINC001232170594 977904890 /nfs/dbraw/zinc/90/48/90/977904890.db2.gz ZKLSGNNVMUXBGM-CYBMUJFWSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cn(C)nc1C1CC1 ZINC001232170594 977904896 /nfs/dbraw/zinc/90/48/96/977904896.db2.gz ZKLSGNNVMUXBGM-CYBMUJFWSA-N 1 2 249.358 1.908 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccns1 ZINC001232191772 977914219 /nfs/dbraw/zinc/91/42/19/977914219.db2.gz FCCGLGCPKZRXDG-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccns1 ZINC001232191772 977914228 /nfs/dbraw/zinc/91/42/28/977914228.db2.gz FCCGLGCPKZRXDG-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO c1cc(C[N@@H+]2CC[C@]23CCOC3)sn1 ZINC001232194876 977919065 /nfs/dbraw/zinc/91/90/65/977919065.db2.gz XNDPMZSTJNKHQQ-SNVBAGLBSA-N 1 2 210.302 1.508 20 0 BDADLO c1cc(C[N@H+]2CC[C@]23CCOC3)sn1 ZINC001232194876 977919078 /nfs/dbraw/zinc/91/90/78/977919078.db2.gz XNDPMZSTJNKHQQ-SNVBAGLBSA-N 1 2 210.302 1.508 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@@H+](C[C@@H](O)C2CC2)C1 ZINC001176145215 977933323 /nfs/dbraw/zinc/93/33/23/977933323.db2.gz KOMASCWHVVQDII-TVQRCGJNSA-N 1 2 235.331 1.175 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@H+](C[C@@H](O)C2CC2)C1 ZINC001176145215 977933332 /nfs/dbraw/zinc/93/33/32/977933332.db2.gz KOMASCWHVVQDII-TVQRCGJNSA-N 1 2 235.331 1.175 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1CCC3(CCC3)O1)CC2 ZINC001336773305 977943645 /nfs/dbraw/zinc/94/36/45/977943645.db2.gz CKBNIGINCVXNDT-ZDUSSCGKSA-N 1 2 247.342 1.800 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1CCC3(CCC3)O1)CC2 ZINC001336773305 977943655 /nfs/dbraw/zinc/94/36/55/977943655.db2.gz CKBNIGINCVXNDT-ZDUSSCGKSA-N 1 2 247.342 1.800 20 0 BDADLO COc1cc[nH+]cc1N(C)c1ncccc1N ZINC001176118765 977952047 /nfs/dbraw/zinc/95/20/47/977952047.db2.gz GVILBHYFEWEXKI-UHFFFAOYSA-N 1 2 230.271 1.835 20 0 BDADLO COCC[N@H+](Cc1nnc(C)s1)C(C)C ZINC001232245754 977973293 /nfs/dbraw/zinc/97/32/93/977973293.db2.gz QJUSKYVELOEZRV-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO COCC[N@@H+](Cc1nnc(C)s1)C(C)C ZINC001232245754 977973305 /nfs/dbraw/zinc/97/33/05/977973305.db2.gz QJUSKYVELOEZRV-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO COCC1C[NH+](Cc2cc(C)sn2)C1 ZINC001249571820 978002782 /nfs/dbraw/zinc/00/27/82/978002782.db2.gz WLBHTZLLUVVNAW-UHFFFAOYSA-N 1 2 212.318 1.530 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CCC(F)(F)C1 ZINC001232336427 978005984 /nfs/dbraw/zinc/00/59/84/978005984.db2.gz AMSZPBVAISGUHH-UHFFFAOYSA-N 1 2 227.258 1.813 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCOC[C@@H]1C ZINC001232337625 978014158 /nfs/dbraw/zinc/01/41/58/978014158.db2.gz AYCSZBBTLKHVSA-VIFPVBQESA-N 1 2 221.304 1.193 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC001232337625 978014168 /nfs/dbraw/zinc/01/41/68/978014168.db2.gz AYCSZBBTLKHVSA-VIFPVBQESA-N 1 2 221.304 1.193 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCn2nccc2C1 ZINC001232347895 978024621 /nfs/dbraw/zinc/02/46/21/978024621.db2.gz UGNIUEFTPIQWSU-UHFFFAOYSA-N 1 2 243.314 1.185 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCn2nccc2C1 ZINC001232347895 978024631 /nfs/dbraw/zinc/02/46/31/978024631.db2.gz UGNIUEFTPIQWSU-UHFFFAOYSA-N 1 2 243.314 1.185 20 0 BDADLO CC[N@H+](Cc1cnc(OC)cc1C)C1COC1 ZINC001232353405 978030951 /nfs/dbraw/zinc/03/09/51/978030951.db2.gz OKNMQKJPKXHVIF-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO Cc1c([C@@H](C)Nc2cc[nH+]cc2F)cnn1C ZINC001336918226 978054486 /nfs/dbraw/zinc/05/44/86/978054486.db2.gz KBHQZCIOFMEMIL-MRVPVSSYSA-N 1 2 234.278 1.858 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2[nH]nc3c2CCC3)CCO1 ZINC001232433467 978080657 /nfs/dbraw/zinc/08/06/57/978080657.db2.gz YRZWQCNHJRJHQX-CQSZACIVSA-N 1 2 249.358 1.755 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)CCO1 ZINC001232433467 978080668 /nfs/dbraw/zinc/08/06/68/978080668.db2.gz YRZWQCNHJRJHQX-CQSZACIVSA-N 1 2 249.358 1.755 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)[C@@H](C)C2)c[nH+]1 ZINC001232458710 978086755 /nfs/dbraw/zinc/08/67/55/978086755.db2.gz RRGKHSVQLZAJEV-QMMMGPOBSA-N 1 2 207.277 1.129 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)[C@@H](C)C2)[nH+]1 ZINC001232458710 978086763 /nfs/dbraw/zinc/08/67/63/978086763.db2.gz RRGKHSVQLZAJEV-QMMMGPOBSA-N 1 2 207.277 1.129 20 0 BDADLO COc1cc[nH+]c(Nc2cnn(CCO)c2)c1 ZINC001176471924 978087157 /nfs/dbraw/zinc/08/71/57/978087157.db2.gz LZHBJQPQPBMRFA-UHFFFAOYSA-N 1 2 234.259 1.023 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)C[C@@]2(C)CO)c[nH+]1 ZINC001232459346 978087237 /nfs/dbraw/zinc/08/72/37/978087237.db2.gz CRLQLHVJVJTBKG-JTQLQIEISA-N 1 2 245.273 1.310 20 0 BDADLO Cc1[nH]cc(CN2CC(F)(F)C[C@@]2(C)CO)[nH+]1 ZINC001232459346 978087250 /nfs/dbraw/zinc/08/72/50/978087250.db2.gz CRLQLHVJVJTBKG-JTQLQIEISA-N 1 2 245.273 1.310 20 0 BDADLO CCc1csc(CN(CC)C2C[NH+](C)C2)n1 ZINC001232476630 978126560 /nfs/dbraw/zinc/12/65/60/978126560.db2.gz DPKKKINMAIZKJY-UHFFFAOYSA-N 1 2 239.388 1.841 20 0 BDADLO Cc1cccc(F)c1C[N@@H+]1CCCNC(=O)C1 ZINC001232483054 978133941 /nfs/dbraw/zinc/13/39/41/978133941.db2.gz AIHGROCWPHXISL-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1cccc(F)c1C[N@H+]1CCCNC(=O)C1 ZINC001232483054 978133945 /nfs/dbraw/zinc/13/39/45/978133945.db2.gz AIHGROCWPHXISL-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(F)ccn2)CC[C@@H]1F ZINC001232490666 978144018 /nfs/dbraw/zinc/14/40/18/978144018.db2.gz NBRXSKDGFMIOKK-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(F)ccn2)CC[C@@H]1F ZINC001232490666 978144024 /nfs/dbraw/zinc/14/40/24/978144024.db2.gz NBRXSKDGFMIOKK-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO COc1cncc(OC)c1C[N@@H+]1CC[C@H]1C ZINC001232501723 978152555 /nfs/dbraw/zinc/15/25/55/978152555.db2.gz FTIYYGQNCKKVOR-SECBINFHSA-N 1 2 222.288 1.693 20 0 BDADLO C[N@H+](Cc1cc(F)ccc1N)C1(C)COC1 ZINC001232512334 978155966 /nfs/dbraw/zinc/15/59/66/978155966.db2.gz OTUIIVUQARNJLL-UHFFFAOYSA-N 1 2 224.279 1.629 20 0 BDADLO C[N@@H+](Cc1cc(F)ccc1N)C1(C)COC1 ZINC001232512334 978155976 /nfs/dbraw/zinc/15/59/76/978155976.db2.gz OTUIIVUQARNJLL-UHFFFAOYSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001232616320 978197223 /nfs/dbraw/zinc/19/72/23/978197223.db2.gz ZIXZYIOPNVRYDJ-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001232616320 978197227 /nfs/dbraw/zinc/19/72/27/978197227.db2.gz ZIXZYIOPNVRYDJ-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(CC2CC2)CC1 ZINC001176835954 978205309 /nfs/dbraw/zinc/20/53/09/978205309.db2.gz HXQAQDPQBJHRON-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO CCCN(CCOC)C(=O)CCn1cc[nH+]c1 ZINC001176872756 978218053 /nfs/dbraw/zinc/21/80/53/978218053.db2.gz PIHMLQASIRBPEL-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO Cc1cc(F)ncc1NC(=O)CCn1cc[nH+]c1 ZINC001176873555 978223564 /nfs/dbraw/zinc/22/35/64/978223564.db2.gz USSQINYZOZGKIM-UHFFFAOYSA-N 1 2 248.261 1.754 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCc2[nH]ccc2C1 ZINC001176878444 978223881 /nfs/dbraw/zinc/22/38/81/978223881.db2.gz RIIVPPOPEGDNOL-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1(CC2CC2)CC1 ZINC001176883824 978226075 /nfs/dbraw/zinc/22/60/75/978226075.db2.gz OWOZVANDMOBYED-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]1C1CC1 ZINC001176883781 978228582 /nfs/dbraw/zinc/22/85/82/978228582.db2.gz MZWMHPXZBUMKNT-QWRGUYRKSA-N 1 2 219.288 1.188 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C/c2ccco2)c1 ZINC001596635086 978243488 /nfs/dbraw/zinc/24/34/88/978243488.db2.gz SVXICVQGIBHFLB-SNAWJCMRSA-N 1 2 245.282 1.385 20 0 BDADLO CCc1ccc(N2CC[C@H](NC(=O)OC)C2)[nH+]c1 ZINC001337270209 978258379 /nfs/dbraw/zinc/25/83/79/978258379.db2.gz YULROTHKOZFUCE-NSHDSACASA-N 1 2 249.314 1.579 20 0 BDADLO CCCn1cnc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001232800869 978294156 /nfs/dbraw/zinc/29/41/56/978294156.db2.gz XQCYYPAWWIXRPP-CYBMUJFWSA-N 1 2 235.331 1.658 20 0 BDADLO CCCn1cnc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001232800869 978294160 /nfs/dbraw/zinc/29/41/60/978294160.db2.gz XQCYYPAWWIXRPP-CYBMUJFWSA-N 1 2 235.331 1.658 20 0 BDADLO COc1cc(O)cc(C[N@H+](C)C2COC2)c1 ZINC001232802945 978294983 /nfs/dbraw/zinc/29/49/83/978294983.db2.gz GYFGXOKCCIWMPA-UHFFFAOYSA-N 1 2 223.272 1.231 20 0 BDADLO COc1cc(O)cc(C[N@@H+](C)C2COC2)c1 ZINC001232802945 978294995 /nfs/dbraw/zinc/29/49/95/978294995.db2.gz GYFGXOKCCIWMPA-UHFFFAOYSA-N 1 2 223.272 1.231 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+](CC)C1CC1 ZINC001232913918 978329326 /nfs/dbraw/zinc/32/93/26/978329326.db2.gz ZBDNJQAVCFYCGW-UHFFFAOYSA-N 1 2 237.303 1.571 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+](CC)C1CC1 ZINC001232913918 978329333 /nfs/dbraw/zinc/32/93/33/978329333.db2.gz ZBDNJQAVCFYCGW-UHFFFAOYSA-N 1 2 237.303 1.571 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1F)[C@@H]1CCOC1 ZINC001232934568 978343123 /nfs/dbraw/zinc/34/31/23/978343123.db2.gz HUKHKHAIOPKSEL-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1F)[C@@H]1CCOC1 ZINC001232934568 978343110 /nfs/dbraw/zinc/34/31/10/978343110.db2.gz HUKHKHAIOPKSEL-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970584 978374155 /nfs/dbraw/zinc/37/41/55/978374155.db2.gz HAJPNJPDGKMBRW-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970584 978374166 /nfs/dbraw/zinc/37/41/66/978374166.db2.gz HAJPNJPDGKMBRW-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(O)c(F)c(F)c2)C[C@H]1O ZINC001232970004 978376187 /nfs/dbraw/zinc/37/61/87/978376187.db2.gz FUSWTRWDFVFYTO-WRWORJQWSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(O)c(F)c(F)c2)C[C@H]1O ZINC001232970004 978376198 /nfs/dbraw/zinc/37/61/98/978376198.db2.gz FUSWTRWDFVFYTO-WRWORJQWSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(O)c(F)c(F)c2)C[C@@H]1O ZINC001232970003 978376343 /nfs/dbraw/zinc/37/63/43/978376343.db2.gz FUSWTRWDFVFYTO-CPCISQLKSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(O)c(F)c(F)c2)C[C@@H]1O ZINC001232970003 978376355 /nfs/dbraw/zinc/37/63/55/978376355.db2.gz FUSWTRWDFVFYTO-CPCISQLKSA-N 1 2 243.253 1.483 20 0 BDADLO Cc1ncc(F)cc1C[NH+]1CC(C)(CO)C1 ZINC001232985204 978380000 /nfs/dbraw/zinc/38/00/00/978380000.db2.gz ANWMCBMJUXMYCV-UHFFFAOYSA-N 1 2 224.279 1.343 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC001233006252 978395873 /nfs/dbraw/zinc/39/58/73/978395873.db2.gz ZJJGUIYNJIPVIH-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCn3ccnc3C2)cn1 ZINC001233006252 978395882 /nfs/dbraw/zinc/39/58/82/978395882.db2.gz ZJJGUIYNJIPVIH-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO C[N@H+](Cc1nc2ccccn2n1)C1CCOCC1 ZINC001233069051 978456625 /nfs/dbraw/zinc/45/66/25/978456625.db2.gz PWONEFIYBBAZEX-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO C[N@@H+](Cc1nc2ccccn2n1)C1CCOCC1 ZINC001233069051 978456634 /nfs/dbraw/zinc/45/66/34/978456634.db2.gz PWONEFIYBBAZEX-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO CCC[N@H+](CCOC)Cc1nc2ccccn2n1 ZINC001233069711 978460637 /nfs/dbraw/zinc/46/06/37/978460637.db2.gz YOPHXSFYPWCERK-UHFFFAOYSA-N 1 2 248.330 1.588 20 0 BDADLO CCC[N@@H+](CCOC)Cc1nc2ccccn2n1 ZINC001233069711 978460644 /nfs/dbraw/zinc/46/06/44/978460644.db2.gz YOPHXSFYPWCERK-UHFFFAOYSA-N 1 2 248.330 1.588 20 0 BDADLO O=C(Cc1ccc[nH]1)Nc1cccc2[nH+]ccn21 ZINC001177864730 978466804 /nfs/dbraw/zinc/46/68/04/978466804.db2.gz IPSRRIZIUDHZBR-UHFFFAOYSA-N 1 2 240.266 1.844 20 0 BDADLO Cc1cnc(NC(=O)[C@@H](C)n2cc[nH+]c2)nc1C ZINC001177918483 978472773 /nfs/dbraw/zinc/47/27/73/978472773.db2.gz ZHODNGMLOJRMEB-SNVBAGLBSA-N 1 2 245.286 1.490 20 0 BDADLO Cc1ncc(NC(=O)[C@@H](C)n2cc[nH+]c2)nc1C ZINC001177921738 978472911 /nfs/dbraw/zinc/47/29/11/978472911.db2.gz KDQQKRYFKBTQCC-SNVBAGLBSA-N 1 2 245.286 1.490 20 0 BDADLO C[N@H+](Cc1[nH]nc2cc(F)ccc21)C1(C)COC1 ZINC001233123436 978473033 /nfs/dbraw/zinc/47/30/33/978473033.db2.gz REVWIZCVBLBZED-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO C[N@@H+](Cc1[nH]nc2cc(F)ccc21)C1(C)COC1 ZINC001233123436 978473041 /nfs/dbraw/zinc/47/30/41/978473041.db2.gz REVWIZCVBLBZED-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO C[C@H](C(=O)Nc1ncccc1O)n1cc[nH+]c1 ZINC001177922672 978474077 /nfs/dbraw/zinc/47/40/77/978474077.db2.gz ZMGDTOLUZXUCLQ-MRVPVSSYSA-N 1 2 232.243 1.183 20 0 BDADLO Cc1cncnc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177922822 978474461 /nfs/dbraw/zinc/47/44/61/978474461.db2.gz QEIPKVMGYMICGE-SECBINFHSA-N 1 2 231.259 1.181 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccncc1F ZINC001177998007 978481547 /nfs/dbraw/zinc/48/15/47/978481547.db2.gz KLCJJSITRLZXKK-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCN(Cc1cnc(C)c(C)c1)C1C[NH+](C)C1 ZINC001233163278 978482510 /nfs/dbraw/zinc/48/25/10/978482510.db2.gz WMMMKDNLRVJMMW-UHFFFAOYSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1cc(C)c(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001177994541 978493870 /nfs/dbraw/zinc/49/38/70/978493870.db2.gz XLDSZTOOYGSDCJ-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CC/C=C/NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119812 978505760 /nfs/dbraw/zinc/50/57/60/978505760.db2.gz WURUNSAWPWSPCS-QLCVYAKKSA-N 1 2 219.288 1.485 20 0 BDADLO CCc1ccc(N2CC[C@H](C)[C@@H]2CO)[nH+]c1 ZINC001337846810 978523784 /nfs/dbraw/zinc/52/37/84/978523784.db2.gz OMOVWAXUIMUJGA-JQWIXIFHSA-N 1 2 220.316 1.851 20 0 BDADLO c1cc2c(c(C[N@@H+]3CCO[C@H]4C[C@H]43)c1)CCO2 ZINC001233277642 978528465 /nfs/dbraw/zinc/52/84/65/978528465.db2.gz LGNIYKKBAFQCEX-OCCSQVGLSA-N 1 2 231.295 1.595 20 0 BDADLO c1cc2c(c(C[N@H+]3CCO[C@H]4C[C@H]43)c1)CCO2 ZINC001233277642 978528472 /nfs/dbraw/zinc/52/84/72/978528472.db2.gz LGNIYKKBAFQCEX-OCCSQVGLSA-N 1 2 231.295 1.595 20 0 BDADLO CCN(C(=O)Cc1cc(C)ccn1)C1C[NH+](C)C1 ZINC001178270478 978534392 /nfs/dbraw/zinc/53/43/92/978534392.db2.gz NGNOLLQJQKINAX-UHFFFAOYSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cc(C[NH+]2CC3(CC(O)C3)C2)sn1 ZINC001233309729 978534878 /nfs/dbraw/zinc/53/48/78/978534878.db2.gz YNNRYBWMCXBAGU-UHFFFAOYSA-N 1 2 224.329 1.408 20 0 BDADLO CC(=O)N[C@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337909535 978560309 /nfs/dbraw/zinc/56/03/09/978560309.db2.gz IGQYNKNKJIDTPM-NSHDSACASA-N 1 2 237.278 1.244 20 0 BDADLO F[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@H]1F ZINC001233360713 978572861 /nfs/dbraw/zinc/57/28/61/978572861.db2.gz AWFWUMMJBHRENT-GHMZBOCLSA-N 1 2 237.253 1.826 20 0 BDADLO O=C1CCN(Cc2cccc3[nH+]ccn32)C[C@H]1F ZINC001233363614 978577420 /nfs/dbraw/zinc/57/74/20/978577420.db2.gz PPICRBAULPATGP-LLVKDONJSA-N 1 2 247.273 1.447 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3ncccc3C2)o1 ZINC001233367241 978580388 /nfs/dbraw/zinc/58/03/88/978580388.db2.gz UEAPRJWFFHKSFM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3ncccc3C2)o1 ZINC001233367241 978580395 /nfs/dbraw/zinc/58/03/95/978580395.db2.gz UEAPRJWFFHKSFM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO C[N@H+](CCF)Cc1cc(F)c(F)cc1N ZINC001233382702 978587983 /nfs/dbraw/zinc/58/79/83/978587983.db2.gz FWNBVZQGQCCWGY-UHFFFAOYSA-N 1 2 218.222 1.948 20 0 BDADLO C[N@@H+](CCF)Cc1cc(F)c(F)cc1N ZINC001233382702 978587990 /nfs/dbraw/zinc/58/79/90/978587990.db2.gz FWNBVZQGQCCWGY-UHFFFAOYSA-N 1 2 218.222 1.948 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)CC2(CCCC2)O1 ZINC001338026845 978591745 /nfs/dbraw/zinc/59/17/45/978591745.db2.gz GIMPDKFLYJWIJG-JTQLQIEISA-N 1 2 248.330 1.597 20 0 BDADLO CCc1ccc(N2CCC[C@@H]2[C@H](C)O)[nH+]c1 ZINC001338044062 978597858 /nfs/dbraw/zinc/59/78/58/978597858.db2.gz XHPWDANGCJHVNR-CMPLNLGQSA-N 1 2 220.316 1.994 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)ccc(O)c1F ZINC001233393531 978598004 /nfs/dbraw/zinc/59/80/04/978598004.db2.gz ZYUASKYMPPYUGR-SFYZADRCSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)ccc(O)c1F ZINC001233393531 978598009 /nfs/dbraw/zinc/59/80/09/978598009.db2.gz ZYUASKYMPPYUGR-SFYZADRCSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)ccc(O)c1F ZINC001233393530 978600383 /nfs/dbraw/zinc/60/03/83/978600383.db2.gz ZYUASKYMPPYUGR-HTQZYQBOSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)ccc(O)c1F ZINC001233393530 978600392 /nfs/dbraw/zinc/60/03/92/978600392.db2.gz ZYUASKYMPPYUGR-HTQZYQBOSA-N 1 2 243.253 1.626 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446385 978603966 /nfs/dbraw/zinc/60/39/66/978603966.db2.gz SUNAWIYVUSYEIB-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446385 978603969 /nfs/dbraw/zinc/60/39/69/978603969.db2.gz SUNAWIYVUSYEIB-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(CO)o1 ZINC001178713141 978623528 /nfs/dbraw/zinc/62/35/28/978623528.db2.gz JROXHUIHWROTPS-JTQLQIEISA-N 1 2 249.314 1.839 20 0 BDADLO COc1cccc2[nH]c(NCc3cc[nH]n3)[nH+]c21 ZINC001179497382 978712642 /nfs/dbraw/zinc/71/26/42/978712642.db2.gz CJPLQZXQPPFHDX-UHFFFAOYSA-N 1 2 243.270 1.907 20 0 BDADLO C[NH+]1CC(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001179697270 978741766 /nfs/dbraw/zinc/74/17/66/978741766.db2.gz YXZJYSHKSQYSPI-UHFFFAOYSA-N 1 2 210.321 1.099 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000069862889 978765437 /nfs/dbraw/zinc/76/54/37/978765437.db2.gz UCAHCZWLTRSBOX-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO C=C(F)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001180110637 978819765 /nfs/dbraw/zinc/81/97/65/978819765.db2.gz BVALWRYHAZKJCO-ZDUSSCGKSA-N 1 2 248.301 1.985 20 0 BDADLO C=C(F)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001180110637 978819767 /nfs/dbraw/zinc/81/97/67/978819767.db2.gz BVALWRYHAZKJCO-ZDUSSCGKSA-N 1 2 248.301 1.985 20 0 BDADLO C=C(F)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001180122138 978830630 /nfs/dbraw/zinc/83/06/30/978830630.db2.gz IVNPPRJWQZZWHG-UHFFFAOYSA-N 1 2 223.251 1.708 20 0 BDADLO CCOC(=[NH2+])c1ccc(O[C@H](C)CON)cc1 ZINC001234587434 978864427 /nfs/dbraw/zinc/86/44/27/978864427.db2.gz ABHFTZJMIMDPDG-SECBINFHSA-N 1 2 238.287 1.706 20 0 BDADLO Cc1cc(C)cc(OCC(=O)NC2C[NH+](C)C2)c1 ZINC001180540618 978901871 /nfs/dbraw/zinc/90/18/71/978901871.db2.gz VFNQCAYWJDDDIM-UHFFFAOYSA-N 1 2 248.326 1.112 20 0 BDADLO CCc1ccc(N2CC[C@H](C3OCCO3)C2)[nH+]c1 ZINC001339824804 978919836 /nfs/dbraw/zinc/91/98/36/978919836.db2.gz TZXRALSSEYGNDK-LBPRGKRZSA-N 1 2 248.326 1.843 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nc(C)no1)C2 ZINC001339840300 978923180 /nfs/dbraw/zinc/92/31/80/978923180.db2.gz HTGNNRMXPPNAMH-UHFFFAOYSA-N 1 2 233.275 1.157 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001339863014 978928978 /nfs/dbraw/zinc/92/89/78/978928978.db2.gz XGTSZLAXJFVUNZ-GFCCVEGCSA-N 1 2 248.326 1.823 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001339863014 978928980 /nfs/dbraw/zinc/92/89/80/978928980.db2.gz XGTSZLAXJFVUNZ-GFCCVEGCSA-N 1 2 248.326 1.823 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(F)cn2)CC[C@@H]1O ZINC001235004732 978948941 /nfs/dbraw/zinc/94/89/41/978948941.db2.gz LKNABNQGWGSUDO-KOLCDFICSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(F)cn2)CC[C@@H]1O ZINC001235004732 978948946 /nfs/dbraw/zinc/94/89/46/978948946.db2.gz LKNABNQGWGSUDO-KOLCDFICSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ncc(F)cn1 ZINC001235008055 978950576 /nfs/dbraw/zinc/95/05/76/978950576.db2.gz VCGRQOMMPSYAPS-UWVGGRQHSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ncc(F)cn1 ZINC001235008055 978950578 /nfs/dbraw/zinc/95/05/78/978950578.db2.gz VCGRQOMMPSYAPS-UWVGGRQHSA-N 1 2 239.294 1.209 20 0 BDADLO CSCC[N@H+](C)Cc1ncc(F)cn1 ZINC001235012950 978953185 /nfs/dbraw/zinc/95/31/85/978953185.db2.gz JQRDPPXPSBWECA-UHFFFAOYSA-N 1 2 215.297 1.411 20 0 BDADLO CSCC[N@@H+](C)Cc1ncc(F)cn1 ZINC001235012950 978953194 /nfs/dbraw/zinc/95/31/94/978953194.db2.gz JQRDPPXPSBWECA-UHFFFAOYSA-N 1 2 215.297 1.411 20 0 BDADLO O=C1CCC[C@@H]2C[N@@H+](Cc3ncc(F)cn3)C[C@H]12 ZINC001235023590 978956076 /nfs/dbraw/zinc/95/60/76/978956076.db2.gz QBFVHBRMUPZMJA-KOLCDFICSA-N 1 2 249.289 1.417 20 0 BDADLO O=C1CCC[C@@H]2C[N@H+](Cc3ncc(F)cn3)C[C@H]12 ZINC001235023590 978956079 /nfs/dbraw/zinc/95/60/79/978956079.db2.gz QBFVHBRMUPZMJA-KOLCDFICSA-N 1 2 249.289 1.417 20 0 BDADLO COC(=O)c1ccnc(C[NH+]2CC(C)(C)C2)c1 ZINC001235196538 978992963 /nfs/dbraw/zinc/99/29/63/978992963.db2.gz DDTRUASWJDAJDU-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO CCOC(C)(C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001181149856 979011234 /nfs/dbraw/zinc/01/12/34/979011234.db2.gz DGZSHQYSNPJUFL-UHFFFAOYSA-N 1 2 248.326 1.746 20 0 BDADLO Nc1cc(CC(=O)N2CCC23CCCC3)cc[nH+]1 ZINC001181240830 979016630 /nfs/dbraw/zinc/01/66/30/979016630.db2.gz VXSFFLXWYFMHCM-UHFFFAOYSA-N 1 2 245.326 1.751 20 0 BDADLO CC(=O)C[C@@H](C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001181252188 979021347 /nfs/dbraw/zinc/02/13/47/979021347.db2.gz RZMQBHQISUNDEL-SECBINFHSA-N 1 2 246.310 1.546 20 0 BDADLO COCC1C[NH+](Cc2cc(C)cnc2F)C1 ZINC001235332736 979027077 /nfs/dbraw/zinc/02/70/77/979027077.db2.gz SKWBGDVDCZGZTM-UHFFFAOYSA-N 1 2 224.279 1.607 20 0 BDADLO CC[C@@H](C)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264615 979030574 /nfs/dbraw/zinc/03/05/74/979030574.db2.gz KPCWMLPAAAGSPL-MRVPVSSYSA-N 1 2 207.277 1.121 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1Cl ZINC001235488520 979051650 /nfs/dbraw/zinc/05/16/50/979051650.db2.gz KMBNKZNHYWDCJS-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cncc(F)c1Cl ZINC001235488520 979051653 /nfs/dbraw/zinc/05/16/53/979051653.db2.gz KMBNKZNHYWDCJS-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO Cc1nc(C)c(NC(=O)C[C@H]([NH3+])C(F)F)s1 ZINC001340744602 979085739 /nfs/dbraw/zinc/08/57/39/979085739.db2.gz AGEMGMZMPLFOJW-LURJTMIESA-N 1 2 249.286 1.681 20 0 BDADLO Cc1[nH+]cn(C)c1CN(C)Cc1cscn1 ZINC001235553213 979091634 /nfs/dbraw/zinc/09/16/34/979091634.db2.gz NZWDNNKUMDRVOU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235682252 979118582 /nfs/dbraw/zinc/11/85/82/979118582.db2.gz VXLPCYPWRCJRPY-SNVBAGLBSA-N 1 2 249.289 1.659 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235682252 979118585 /nfs/dbraw/zinc/11/85/85/979118585.db2.gz VXLPCYPWRCJRPY-SNVBAGLBSA-N 1 2 249.289 1.659 20 0 BDADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCO1 ZINC001181580465 979166850 /nfs/dbraw/zinc/16/68/50/979166850.db2.gz ZSCZBPSRTGXMON-GFCCVEGCSA-N 1 2 243.266 1.600 20 0 BDADLO Cc1cc(F)cc(CC(=O)NC2C[NH+](C)C2)c1 ZINC001181646191 979203121 /nfs/dbraw/zinc/20/31/21/979203121.db2.gz WKFDGEWDBLRGPN-UHFFFAOYSA-N 1 2 236.290 1.107 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)C[C@H]([NH3+])C(F)F ZINC001341138278 979250929 /nfs/dbraw/zinc/25/09/29/979250929.db2.gz DMGBEAKEMCZWRX-SYDCGGLASA-N 1 2 240.681 1.616 20 0 BDADLO CCC1(CC)C[C@H]1C(=O)NC1C[NH+](C)C1 ZINC001181887006 979356282 /nfs/dbraw/zinc/35/62/82/979356282.db2.gz OVNFMILDMUGQCC-JTQLQIEISA-N 1 2 210.321 1.243 20 0 BDADLO OCCCC[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112457 979392677 /nfs/dbraw/zinc/39/26/77/979392677.db2.gz PPBLMRNDJRPYBW-LLVKDONJSA-N 1 2 240.372 1.467 20 0 BDADLO OCCCC[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112457 979392668 /nfs/dbraw/zinc/39/26/68/979392668.db2.gz PPBLMRNDJRPYBW-LLVKDONJSA-N 1 2 240.372 1.467 20 0 BDADLO OCC[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001236159019 979414710 /nfs/dbraw/zinc/41/47/10/979414710.db2.gz STDHPYCDWUXGFU-UHFFFAOYSA-N 1 2 212.680 1.085 20 0 BDADLO OCC[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001236159019 979414717 /nfs/dbraw/zinc/41/47/17/979414717.db2.gz STDHPYCDWUXGFU-UHFFFAOYSA-N 1 2 212.680 1.085 20 0 BDADLO C[C@H](c1ncccn1)N1CCn2c[nH+]cc2C1 ZINC001341478043 979427588 /nfs/dbraw/zinc/42/75/88/979427588.db2.gz BHXDHVMAVZSHBH-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO CCOc1nccc(C[N@H+](C)CCO)c1Cl ZINC001236259561 979483018 /nfs/dbraw/zinc/48/30/18/979483018.db2.gz ZYKIAZRGNFEKTH-UHFFFAOYSA-N 1 2 244.722 1.558 20 0 BDADLO CCOc1nccc(C[N@@H+](C)CCO)c1Cl ZINC001236259561 979483023 /nfs/dbraw/zinc/48/30/23/979483023.db2.gz ZYKIAZRGNFEKTH-UHFFFAOYSA-N 1 2 244.722 1.558 20 0 BDADLO Sc1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001236288241 979493248 /nfs/dbraw/zinc/49/32/48/979493248.db2.gz GGYDTUYDWSTPTE-JQWIXIFHSA-N 1 2 220.341 1.379 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ncccc2C)n1 ZINC001182389434 979529165 /nfs/dbraw/zinc/52/91/65/979529165.db2.gz YSVWVZHVWTWLRF-UHFFFAOYSA-N 1 2 230.315 1.896 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1O ZINC001182852573 979658271 /nfs/dbraw/zinc/65/82/71/979658271.db2.gz XRCYBBZSFDVFMB-NSHDSACASA-N 1 2 234.299 1.813 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccccc1O ZINC001182852573 979658280 /nfs/dbraw/zinc/65/82/80/979658280.db2.gz XRCYBBZSFDVFMB-NSHDSACASA-N 1 2 234.299 1.813 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)o1 ZINC001236598610 979673180 /nfs/dbraw/zinc/67/31/80/979673180.db2.gz ZSOLYXACVXYUSW-QWRGUYRKSA-N 1 2 221.304 1.180 20 0 BDADLO COC(=O)CC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001236590393 979673481 /nfs/dbraw/zinc/67/34/81/979673481.db2.gz ACRJTGDURLNMDF-UHFFFAOYSA-N 1 2 238.287 1.286 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1)Cc1cncnc1 ZINC001236713057 979705169 /nfs/dbraw/zinc/70/51/69/979705169.db2.gz LWIVXZGRKVRQNL-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1)Cc1cncnc1 ZINC001236713057 979705178 /nfs/dbraw/zinc/70/51/78/979705178.db2.gz LWIVXZGRKVRQNL-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001604815114 979729036 /nfs/dbraw/zinc/72/90/36/979729036.db2.gz PYMVCWQTPBJFRH-KWQFWETISA-N 1 2 238.287 1.065 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](O)C2)c(F)cc1F ZINC001236816913 979744022 /nfs/dbraw/zinc/74/40/22/979744022.db2.gz JQPRAUVTGQXITI-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](O)C2)c(F)cc1F ZINC001236816913 979744028 /nfs/dbraw/zinc/74/40/28/979744028.db2.gz JQPRAUVTGQXITI-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO COc1cccc2c(C[NH+]3CC(O)C3)ccnc12 ZINC001237112859 979819346 /nfs/dbraw/zinc/81/93/46/979819346.db2.gz DZRQVIIHJWSLOO-UHFFFAOYSA-N 1 2 244.294 1.420 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCn3ccnc32)[nH]n1 ZINC000716460773 979832896 /nfs/dbraw/zinc/83/28/96/979832896.db2.gz WNNLETBLSFQSDH-SNVBAGLBSA-N 1 2 217.276 1.149 20 0 BDADLO Cc1cc(F)cc(C)c1C[NH+]1CC(O)C1 ZINC001237317330 979863958 /nfs/dbraw/zinc/86/39/58/979863958.db2.gz LDTZDFBIBVSPEG-UHFFFAOYSA-N 1 2 209.264 1.619 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc3ccccn3n2)CC[C@@H]1F ZINC001237438517 979893327 /nfs/dbraw/zinc/89/33/27/979893327.db2.gz IAGPHLMNTCCASJ-QWHCGFSZSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc3ccccn3n2)CC[C@@H]1F ZINC001237438517 979893332 /nfs/dbraw/zinc/89/33/32/979893332.db2.gz IAGPHLMNTCCASJ-QWHCGFSZSA-N 1 2 249.289 1.239 20 0 BDADLO COc1c(C)cccc1C[NH+]1CC2(CN(C)C2)C1 ZINC001237505490 979923666 /nfs/dbraw/zinc/92/36/66/979923666.db2.gz GICRSABKZRXJBM-UHFFFAOYSA-N 1 2 246.354 1.751 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@H](C)c1nncn1C ZINC001342933264 979947108 /nfs/dbraw/zinc/94/71/08/979947108.db2.gz VUQDRHOGVHLPPJ-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO CCn1c[nH+]cc1CN1CCCCC12COC2 ZINC001237589499 979951024 /nfs/dbraw/zinc/95/10/24/979951024.db2.gz DSTHGZIBETVLJW-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC001237639378 979986902 /nfs/dbraw/zinc/98/69/02/979986902.db2.gz KYJIVSOENCYTQC-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC001237639378 979986915 /nfs/dbraw/zinc/98/69/15/979986915.db2.gz KYJIVSOENCYTQC-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237647242 979998589 /nfs/dbraw/zinc/99/85/89/979998589.db2.gz RUHHZDMPUYHVQR-FZMZJTMJSA-N 1 2 249.358 1.973 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237647242 979998596 /nfs/dbraw/zinc/99/85/96/979998596.db2.gz RUHHZDMPUYHVQR-FZMZJTMJSA-N 1 2 249.358 1.973 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001237646006 980000518 /nfs/dbraw/zinc/00/05/18/980000518.db2.gz JCQYUHSWUQLEIL-VXGBXAGGSA-N 1 2 221.304 1.335 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001237646006 980000528 /nfs/dbraw/zinc/00/05/28/980000528.db2.gz JCQYUHSWUQLEIL-VXGBXAGGSA-N 1 2 221.304 1.335 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCOC[C@H](C)C1 ZINC001237652308 980013778 /nfs/dbraw/zinc/01/37/78/980013778.db2.gz REOBCOZGWHYEDF-SNVBAGLBSA-N 1 2 223.320 1.440 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCOC[C@H](C)C1 ZINC001237652308 980013786 /nfs/dbraw/zinc/01/37/86/980013786.db2.gz REOBCOZGWHYEDF-SNVBAGLBSA-N 1 2 223.320 1.440 20 0 BDADLO CCc1[nH]ncc1CN(C)[C@@H]1CC[N@H+](C)C1 ZINC001237651802 980013854 /nfs/dbraw/zinc/01/38/54/980013854.db2.gz YIIOJSGMVQRJTQ-LLVKDONJSA-N 1 2 222.336 1.108 20 0 BDADLO CCc1[nH]ncc1CN(C)[C@@H]1CC[N@@H+](C)C1 ZINC001237651802 980013861 /nfs/dbraw/zinc/01/38/61/980013861.db2.gz YIIOJSGMVQRJTQ-LLVKDONJSA-N 1 2 222.336 1.108 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001237655407 980019143 /nfs/dbraw/zinc/01/91/43/980019143.db2.gz PTDKNWWNGBGPJF-VHSXEESVSA-N 1 2 223.320 1.581 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001237655407 980019151 /nfs/dbraw/zinc/01/91/51/980019151.db2.gz PTDKNWWNGBGPJF-VHSXEESVSA-N 1 2 223.320 1.581 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cn[nH]c2CC)C1 ZINC001237653720 980023353 /nfs/dbraw/zinc/02/33/53/980023353.db2.gz NOUGELUWFARREE-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cn[nH]c2CC)C1 ZINC001237653720 980023362 /nfs/dbraw/zinc/02/33/62/980023362.db2.gz NOUGELUWFARREE-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC001237712812 980031868 /nfs/dbraw/zinc/03/18/68/980031868.db2.gz FNWZPGLMRCQTAL-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC001237712812 980031874 /nfs/dbraw/zinc/03/18/74/980031874.db2.gz FNWZPGLMRCQTAL-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CC(=O)NC[C@H]2C)c1 ZINC001237711682 980034081 /nfs/dbraw/zinc/03/40/81/980034081.db2.gz SYEJDRNCHAOAHB-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CC(=O)NC[C@H]2C)c1 ZINC001237711682 980034085 /nfs/dbraw/zinc/03/40/85/980034085.db2.gz SYEJDRNCHAOAHB-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001237805802 980055889 /nfs/dbraw/zinc/05/58/89/980055889.db2.gz GCGQIMALHMDCHS-NSHDSACASA-N 1 2 219.288 1.196 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001237805802 980055897 /nfs/dbraw/zinc/05/58/97/980055897.db2.gz GCGQIMALHMDCHS-NSHDSACASA-N 1 2 219.288 1.196 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC001343457422 980112997 /nfs/dbraw/zinc/11/29/97/980112997.db2.gz QFFPQNDLBMMRRA-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCC[C@H](F)C1 ZINC001238169557 980201543 /nfs/dbraw/zinc/20/15/43/980201543.db2.gz LWIMNITTXVNECK-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncncc1C[N@H+]1CCC[C@H](F)C1 ZINC001238169557 980201551 /nfs/dbraw/zinc/20/15/51/980201551.db2.gz LWIMNITTXVNECK-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ncc(C)cc1C ZINC001238425898 980249800 /nfs/dbraw/zinc/24/98/00/980249800.db2.gz JPHQBEKLBRRFRT-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ncc(C)cc1C ZINC001238425898 980249803 /nfs/dbraw/zinc/24/98/03/980249803.db2.gz JPHQBEKLBRRFRT-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO Cc1cnc(CN2CCn3c[nH+]cc3C2)c(C)c1 ZINC001238443137 980267240 /nfs/dbraw/zinc/26/72/40/980267240.db2.gz XGMQAZONCCDYHX-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)Nc2cccnc2)c1 ZINC001185703155 980269171 /nfs/dbraw/zinc/26/91/71/980269171.db2.gz YGRHNTIPISZVIR-UHFFFAOYSA-N 1 2 245.286 1.179 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)o1 ZINC001278248348 980291385 /nfs/dbraw/zinc/29/13/85/980291385.db2.gz AFSVNELLXFECLJ-RNCFNFMXSA-N 1 2 234.299 1.292 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)o1 ZINC001278248348 980291392 /nfs/dbraw/zinc/29/13/92/980291392.db2.gz AFSVNELLXFECLJ-RNCFNFMXSA-N 1 2 234.299 1.292 20 0 BDADLO C[C@H]1CC[N@@H+]1Cc1cn(-c2cnccn2)cn1 ZINC001238805371 980328243 /nfs/dbraw/zinc/32/82/43/980328243.db2.gz GOEXQICKZXQJDT-JTQLQIEISA-N 1 2 229.287 1.257 20 0 BDADLO C[C@H]1CC[N@H+]1Cc1cn(-c2cnccn2)cn1 ZINC001238805371 980328252 /nfs/dbraw/zinc/32/82/52/980328252.db2.gz GOEXQICKZXQJDT-JTQLQIEISA-N 1 2 229.287 1.257 20 0 BDADLO C[C@@H](CCO)Nc1cc(N)cc(Cl)[nH+]1 ZINC000154764017 980354178 /nfs/dbraw/zinc/35/41/78/980354178.db2.gz WFTIYCADROULTC-LURJTMIESA-N 1 2 215.684 1.500 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCSC1)n1cc[nH+]c1 ZINC001344351544 980373928 /nfs/dbraw/zinc/37/39/28/980373928.db2.gz IIZKMUYVRCFMMS-IUCAKERBSA-N 1 2 225.317 1.066 20 0 BDADLO O=C1CC2(CCC2)N1C[NH+]1CCC(F)(F)CC1 ZINC001344416224 980394234 /nfs/dbraw/zinc/39/42/34/980394234.db2.gz OINXVDWWOFVMHY-UHFFFAOYSA-N 1 2 244.285 1.830 20 0 BDADLO Cc1cc(N2CCOCC2)[nH+]cc1-c1cnoc1 ZINC001239177516 980486048 /nfs/dbraw/zinc/48/60/48/980486048.db2.gz KKUYRNJMKOEZKF-UHFFFAOYSA-N 1 2 245.282 1.882 20 0 BDADLO CO[C@H](C)CC(=O)OCCCc1c[nH+]cn1C ZINC001344917450 980499191 /nfs/dbraw/zinc/49/91/91/980499191.db2.gz TXHSXVFQLUYSLJ-SNVBAGLBSA-N 1 2 240.303 1.321 20 0 BDADLO CCc1[nH]c(CNc2ncc(C=O)cn2)c[nH+]1 ZINC001187739914 980546346 /nfs/dbraw/zinc/54/63/46/980546346.db2.gz NYTDVRMWILLJIL-UHFFFAOYSA-N 1 2 231.259 1.187 20 0 BDADLO CCc1[nH]cc(CNc2ncc(C=O)cn2)[nH+]1 ZINC001187739914 980546349 /nfs/dbraw/zinc/54/63/49/980546349.db2.gz NYTDVRMWILLJIL-UHFFFAOYSA-N 1 2 231.259 1.187 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cccnc1 ZINC001345996412 980726493 /nfs/dbraw/zinc/72/64/93/980726493.db2.gz QFLPPJUQQWWSLZ-UHFFFAOYSA-N 1 2 231.255 1.655 20 0 BDADLO CCc1cn(CC[C@H]2CCOC2=O)c[nH+]1 ZINC001190104689 980848243 /nfs/dbraw/zinc/84/82/43/980848243.db2.gz URFXCPHAEYOPHV-VIFPVBQESA-N 1 2 208.261 1.399 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C1CC1 ZINC001346478966 980849349 /nfs/dbraw/zinc/84/93/49/980849349.db2.gz WUZUHSYAQGPUMT-ZMWSMAPVSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C1CC1 ZINC001346478966 980849350 /nfs/dbraw/zinc/84/93/50/980849350.db2.gz WUZUHSYAQGPUMT-ZMWSMAPVSA-N 1 2 233.315 1.671 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ncccc1C ZINC001346746875 980897904 /nfs/dbraw/zinc/89/79/04/980897904.db2.gz HGMZBVJWCXISCE-UHFFFAOYSA-N 1 2 245.282 1.963 20 0 BDADLO COc1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001239844883 980984137 /nfs/dbraw/zinc/98/41/37/980984137.db2.gz IVJVEOXMLXWDSK-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Cc1cc(-c2ccc(C(N)=O)cc2)c[nH+]c1N ZINC001239872902 981013597 /nfs/dbraw/zinc/01/35/97/981013597.db2.gz YJQFOGOFGBIIDC-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Cc1cn2c(cccc2NC(=O)NC2CC2)[nH+]1 ZINC001191440018 981035430 /nfs/dbraw/zinc/03/54/30/981035430.db2.gz INFPOZOZMYYQLI-UHFFFAOYSA-N 1 2 230.271 1.927 20 0 BDADLO CCOC[C@H]1CC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001191473505 981037658 /nfs/dbraw/zinc/03/76/58/981037658.db2.gz FCBRIFSZVAZCLK-ZJUUUORDSA-N 1 2 241.360 1.958 20 0 BDADLO CCOC[C@H]1CC[N@H+]([C@H](C)c2csnn2)C1 ZINC001191473505 981037667 /nfs/dbraw/zinc/03/76/67/981037667.db2.gz FCBRIFSZVAZCLK-ZJUUUORDSA-N 1 2 241.360 1.958 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001347478322 981091779 /nfs/dbraw/zinc/09/17/79/981091779.db2.gz VMKDRZFPUAEOQO-IJLUTSLNSA-N 1 2 247.342 1.658 20 0 BDADLO CCNc1cc(CNC(=O)NC2CCC2)cc[nH+]1 ZINC001347507464 981103156 /nfs/dbraw/zinc/10/31/56/981103156.db2.gz WAYUIQXKJPJPNV-UHFFFAOYSA-N 1 2 248.330 1.865 20 0 BDADLO CC/C=C/CNC(=O)CCc1[nH+]ccn1C ZINC001347650906 981138880 /nfs/dbraw/zinc/13/88/80/981138880.db2.gz HVFNAWLSPZTIGO-SNAWJCMRSA-N 1 2 221.304 1.435 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CCc1ccoc1 ZINC001347711827 981150491 /nfs/dbraw/zinc/15/04/91/981150491.db2.gz OOJDJSHCWAPKLC-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO CN(C)c1cncc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214859 981163147 /nfs/dbraw/zinc/16/31/47/981163147.db2.gz UFTJPTVJEQXGTJ-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccn1C1CC1 ZINC001347791585 981176173 /nfs/dbraw/zinc/17/61/73/981176173.db2.gz HDQQZDQQDRKHKF-UHFFFAOYSA-N 1 2 221.304 1.130 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccn1C1CC1 ZINC001347791585 981176177 /nfs/dbraw/zinc/17/61/77/981176177.db2.gz HDQQZDQQDRKHKF-UHFFFAOYSA-N 1 2 221.304 1.130 20 0 BDADLO Nc1cc(N2CCCC3(CCOCC3)C2)[nH+]cn1 ZINC001348009224 981244494 /nfs/dbraw/zinc/24/44/94/981244494.db2.gz MDJXXFSMGVIVOE-UHFFFAOYSA-N 1 2 248.330 1.456 20 0 BDADLO Cn1cc(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001240295639 981245502 /nfs/dbraw/zinc/24/55/02/981245502.db2.gz ICVPJVFBQZUECN-UHFFFAOYSA-N 1 2 213.244 1.317 20 0 BDADLO CCc1ccc(N2CCN(C3CC3)C(=O)C2)[nH+]c1 ZINC001348021484 981249508 /nfs/dbraw/zinc/24/95/08/981249508.db2.gz QRVBQCQMHBNJCK-UHFFFAOYSA-N 1 2 245.326 1.455 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2cnn(C)c2c1 ZINC001240306983 981275348 /nfs/dbraw/zinc/27/53/48/981275348.db2.gz JYFGGCSRHLOHCR-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)no1 ZINC001348110912 981284259 /nfs/dbraw/zinc/28/42/59/981284259.db2.gz PXIZNJDFMBHRSV-VIFPVBQESA-N 1 2 233.271 1.934 20 0 BDADLO COCCOC(=O)Nc1cccc2[nH+]ccn21 ZINC001193368947 981304016 /nfs/dbraw/zinc/30/40/16/981304016.db2.gz ZLNKTWDDHBQGTG-UHFFFAOYSA-N 1 2 235.243 1.529 20 0 BDADLO CC/C(C)=C/C(=O)NCCc1[nH+]ccn1C ZINC001348253804 981319238 /nfs/dbraw/zinc/31/92/38/981319238.db2.gz CUELHZHZTWKLNK-MDZDMXLPSA-N 1 2 221.304 1.435 20 0 BDADLO C/C(Cl)=C\C(=O)NCCc1[nH+]ccn1C ZINC001348267228 981320782 /nfs/dbraw/zinc/32/07/82/981320782.db2.gz VWNGSNNLBYMNAM-BQYQJAHWSA-N 1 2 227.695 1.221 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cncnc2)cc1 ZINC001240376969 981329789 /nfs/dbraw/zinc/32/97/89/981329789.db2.gz OGNGQWKKUJQBLW-GFCCVEGCSA-N 1 2 243.266 1.316 20 0 BDADLO CC(C)OC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001193512415 981365190 /nfs/dbraw/zinc/36/51/90/981365190.db2.gz XNBHIMXGENTJHH-JTQLQIEISA-N 1 2 232.299 1.555 20 0 BDADLO CC(C)OC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001193512415 981365195 /nfs/dbraw/zinc/36/51/95/981365195.db2.gz XNBHIMXGENTJHH-JTQLQIEISA-N 1 2 232.299 1.555 20 0 BDADLO O=C(OC1CCCC1)N1CCc2[nH+]ccn2CC1 ZINC001193549872 981380904 /nfs/dbraw/zinc/38/09/04/981380904.db2.gz KVFSUDATWJUKQM-UHFFFAOYSA-N 1 2 249.314 1.820 20 0 BDADLO CCCCOC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001193727208 981417589 /nfs/dbraw/zinc/41/75/89/981417589.db2.gz OTTFHPDCKJFTMI-UHFFFAOYSA-N 1 2 249.314 1.797 20 0 BDADLO CCc1nc(N2CC(F)(F)C2)cc(C)[nH+]1 ZINC001348767162 981439555 /nfs/dbraw/zinc/43/95/55/981439555.db2.gz KZUZKVMIZIYASO-UHFFFAOYSA-N 1 2 213.231 1.803 20 0 BDADLO CC(C)(COC(=O)[C@H]1CC12CC2)n1cc[nH+]c1 ZINC001349020623 981499123 /nfs/dbraw/zinc/49/91/23/981499123.db2.gz HUXNFWPKTFZBAY-SNVBAGLBSA-N 1 2 234.299 1.962 20 0 BDADLO COC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001193902977 981505744 /nfs/dbraw/zinc/50/57/44/981505744.db2.gz UADZNZGWNKSDCY-LLVKDONJSA-N 1 2 236.271 1.691 20 0 BDADLO C[C@@H](C[N@@H+]1CCNC(=O)C1(C)C)C(F)(F)F ZINC000336349254 981521683 /nfs/dbraw/zinc/52/16/83/981521683.db2.gz GJKJYZFUIRPWDG-ZETCQYMHSA-N 1 2 238.253 1.395 20 0 BDADLO C[C@@H](C[N@H+]1CCNC(=O)C1(C)C)C(F)(F)F ZINC000336349254 981521692 /nfs/dbraw/zinc/52/16/92/981521692.db2.gz GJKJYZFUIRPWDG-ZETCQYMHSA-N 1 2 238.253 1.395 20 0 BDADLO Nc1[nH+]cccc1-c1cnn([C@@H]2CCOC2)c1 ZINC001240630927 981522572 /nfs/dbraw/zinc/52/25/72/981522572.db2.gz VXCUOJVLZAPKNA-SNVBAGLBSA-N 1 2 230.271 1.489 20 0 BDADLO O=C(C(F)F)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001349598342 981591396 /nfs/dbraw/zinc/59/13/96/981591396.db2.gz MAWBTBLOVNABEN-UHFFFAOYSA-N 1 2 243.257 1.456 20 0 BDADLO CCCOC(=O)NCc1c[nH+]cn1CCOC ZINC001194139601 981591928 /nfs/dbraw/zinc/59/19/28/981591928.db2.gz WMICWUYTALZRCQ-UHFFFAOYSA-N 1 2 241.291 1.166 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@@H]1CCCO1 ZINC001349790974 981746521 /nfs/dbraw/zinc/74/65/21/981746521.db2.gz CIJCVVAHEKIASL-FYJFLYSWSA-N 1 2 246.310 1.794 20 0 BDADLO Cc1ccc(OC(=O)NCCn2cc[nH+]c2)cc1 ZINC001194421173 981807236 /nfs/dbraw/zinc/80/72/36/981807236.db2.gz WQPOQEZVIUBYFP-UHFFFAOYSA-N 1 2 245.282 1.980 20 0 BDADLO CCC(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001583333812 981811757 /nfs/dbraw/zinc/81/17/57/981811757.db2.gz RPBLPHCXLRECHQ-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1cc(-c2cnn(C3COC3)c2)c[nH+]c1N ZINC001240783721 981824181 /nfs/dbraw/zinc/82/41/81/981824181.db2.gz BIJCBIUTTVCIEW-UHFFFAOYSA-N 1 2 230.271 1.407 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CSC(F)F)c1 ZINC001584478769 981873718 /nfs/dbraw/zinc/87/37/18/981873718.db2.gz RHDQYPZLGNGBKM-UHFFFAOYSA-N 1 2 249.286 1.035 20 0 BDADLO Cc1cc(NC(=O)COc2ccsn2)cc[nH+]1 ZINC001586090667 981967528 /nfs/dbraw/zinc/96/75/28/981967528.db2.gz BIPNCUBWNBUFMS-UHFFFAOYSA-N 1 2 249.295 1.286 20 0 BDADLO C/C(=C/C(=O)NCCc1[nH]cc[nH+]1)c1ccco1 ZINC001586295385 981985576 /nfs/dbraw/zinc/98/55/76/981985576.db2.gz ITEWISXIDCCBSS-KTKRTIGZSA-N 1 2 245.282 1.765 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001350500130 981988265 /nfs/dbraw/zinc/98/82/65/981988265.db2.gz QLEYUTXCMZFPML-FZMZJTMJSA-N 1 2 249.358 1.761 20 0 BDADLO CC(C)(CNC(=O)CC1CC1)n1cc[nH+]c1 ZINC001350562601 981997559 /nfs/dbraw/zinc/99/75/59/981997559.db2.gz NKSYXEPCLVMICT-UHFFFAOYSA-N 1 2 221.304 1.535 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC001586984798 982037336 /nfs/dbraw/zinc/03/73/36/982037336.db2.gz UFMAWEAWEGIKDO-LBPRGKRZSA-N 1 2 248.330 1.326 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC001586984798 982037351 /nfs/dbraw/zinc/03/73/51/982037351.db2.gz UFMAWEAWEGIKDO-LBPRGKRZSA-N 1 2 248.330 1.326 20 0 BDADLO CC/C=C(\C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195079783 982064654 /nfs/dbraw/zinc/06/46/54/982064654.db2.gz UXEXZFDXSFJLDP-LFYBBSHMSA-N 1 2 242.338 1.847 20 0 BDADLO CC/C=C(\C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195079783 982064661 /nfs/dbraw/zinc/06/46/61/982064661.db2.gz UXEXZFDXSFJLDP-LFYBBSHMSA-N 1 2 242.338 1.847 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(N2CCOCC2)nc1 ZINC001240994780 982078475 /nfs/dbraw/zinc/07/84/75/982078475.db2.gz CQAWZAIZFDNWNW-UHFFFAOYSA-N 1 2 244.298 1.319 20 0 BDADLO Cn1ccc(-c2cc[nH+]c3c2CCN3)cc1=O ZINC001240998127 982082501 /nfs/dbraw/zinc/08/25/01/982082501.db2.gz MCTPZSFTZOMXGN-UHFFFAOYSA-N 1 2 227.267 1.415 20 0 BDADLO Cc1c[nH]c(NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001588189537 982123497 /nfs/dbraw/zinc/12/34/97/982123497.db2.gz YNCUOOVWWKZYKJ-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC[C@H](C)OC(=O)NCc1c[nH+]cn1CCF ZINC001195153842 982139019 /nfs/dbraw/zinc/13/90/19/982139019.db2.gz NNYDBZMZDZDBFJ-VIFPVBQESA-N 1 2 243.282 1.877 20 0 BDADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cnnn1C ZINC001350977763 982145005 /nfs/dbraw/zinc/14/50/05/982145005.db2.gz LVRRYNYNIZLFTH-QMMMGPOBSA-N 1 2 247.302 1.531 20 0 BDADLO CN1CCOc2c1cn[nH+]c2-c1ccc(O)cc1 ZINC001241061391 982163396 /nfs/dbraw/zinc/16/33/96/982163396.db2.gz FVWCCWXMJFNOEI-UHFFFAOYSA-N 1 2 243.266 1.678 20 0 BDADLO Cn1cc(C[N@H+](CCO)C2CC2)c(Cl)n1 ZINC001351162131 982224617 /nfs/dbraw/zinc/22/46/17/982224617.db2.gz CVSJPHZXQNCPMX-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(C[N@@H+](CCO)C2CC2)c(Cl)n1 ZINC001351162131 982224629 /nfs/dbraw/zinc/22/46/29/982224629.db2.gz CVSJPHZXQNCPMX-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO CCNC(=S)NCc1c[nH+]cn1C(C)C ZINC001195366446 982232382 /nfs/dbraw/zinc/23/23/82/982232382.db2.gz VNVZPXXYMJIDCX-UHFFFAOYSA-N 1 2 226.349 1.448 20 0 BDADLO Nc1cc(-c2cnc3c(c2)OCC(=O)N3)cc[nH+]1 ZINC001241161986 982298536 /nfs/dbraw/zinc/29/85/36/982298536.db2.gz DNVPBCOMKPCQNA-UHFFFAOYSA-N 1 2 242.238 1.057 20 0 BDADLO Nc1cc(-c2cnc(N3CCC3)nc2)cc[nH+]1 ZINC001241162824 982300381 /nfs/dbraw/zinc/30/03/81/982300381.db2.gz NBHGLLWHIPQNPL-UHFFFAOYSA-N 1 2 227.271 1.331 20 0 BDADLO CNC(=O)Cc1ccccc1-c1cc[nH+]c(N)c1 ZINC001241162895 982301371 /nfs/dbraw/zinc/30/13/71/982301371.db2.gz OVUKKWDUPWBYSU-UHFFFAOYSA-N 1 2 241.294 1.619 20 0 BDADLO NC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1F ZINC001241170000 982311963 /nfs/dbraw/zinc/31/19/63/982311963.db2.gz TWQLFXFUDSGQJW-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO COC(=O)Cc1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241169956 982312743 /nfs/dbraw/zinc/31/27/43/982312743.db2.gz SGJFSCGYVDERSL-UHFFFAOYSA-N 1 2 243.266 1.441 20 0 BDADLO COC(=O)c1cncc(-c2cc[nH+]c(N)c2)c1C ZINC001241170451 982316717 /nfs/dbraw/zinc/31/67/17/982316717.db2.gz OEZOAOYPBAYYIX-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Nc1cc(-c2ccc3nccc(=O)n3c2)cc[nH+]1 ZINC001241170672 982319774 /nfs/dbraw/zinc/31/97/74/982319774.db2.gz OOLVQEBITZGFRT-UHFFFAOYSA-N 1 2 238.250 1.339 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnoc1C(C)C ZINC001351512285 982323877 /nfs/dbraw/zinc/32/38/77/982323877.db2.gz CDXMVJGULCNIAH-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1ccn(C)n1 ZINC001241242962 982385917 /nfs/dbraw/zinc/38/59/17/982385917.db2.gz BXJSDKUFWGTILE-UHFFFAOYSA-N 1 2 216.288 1.857 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(=O)n1C ZINC001241248393 982388976 /nfs/dbraw/zinc/38/89/76/982388976.db2.gz IOWOVEJBIJVCQS-UHFFFAOYSA-N 1 2 243.310 1.822 20 0 BDADLO Cc1cnc(NC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001351792098 982390594 /nfs/dbraw/zinc/39/05/94/982390594.db2.gz CBFBKGGWMKLICT-MRVPVSSYSA-N 1 2 220.232 1.379 20 0 BDADLO Cc1cncc(CN2CCc3c([nH+]cn3C)C2)n1 ZINC001203174761 982399834 /nfs/dbraw/zinc/39/98/34/982399834.db2.gz FFHOKRCSILVVTR-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO CC(C)[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001352444544 982524763 /nfs/dbraw/zinc/52/47/63/982524763.db2.gz YUTXWSVBBHVALW-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](CO)CC(C)C ZINC000160216301 982529487 /nfs/dbraw/zinc/52/94/87/982529487.db2.gz HPKATRUUXBQMNU-SNVBAGLBSA-N 1 2 224.304 1.909 20 0 BDADLO CC(=CC=C[NH3+])c1cnc2n[nH]cc2c1 ZINC001241423731 982573164 /nfs/dbraw/zinc/57/31/64/982573164.db2.gz AJZCQMNEZRQIEU-BVOBWIRXSA-N 1 2 200.245 1.834 20 0 BDADLO O=C(NC[C@H]1C=CCC1)N1CCn2c[nH+]cc2C1 ZINC001353045127 982676459 /nfs/dbraw/zinc/67/64/59/982676459.db2.gz XLWZFWCURUVEHK-NSHDSACASA-N 1 2 246.314 1.375 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001589446700 982800376 /nfs/dbraw/zinc/80/03/76/982800376.db2.gz OKYMVYUIVSXKFI-HBNTYKKESA-N 1 2 226.320 1.018 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001589446700 982800380 /nfs/dbraw/zinc/80/03/80/982800380.db2.gz OKYMVYUIVSXKFI-HBNTYKKESA-N 1 2 226.320 1.018 20 0 BDADLO CC[C@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001589446700 982800382 /nfs/dbraw/zinc/80/03/82/982800382.db2.gz OKYMVYUIVSXKFI-HBNTYKKESA-N 1 2 226.320 1.018 20 0 BDADLO CC[C@H](C(=O)[O-])[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001589446700 982800383 /nfs/dbraw/zinc/80/03/83/982800383.db2.gz OKYMVYUIVSXKFI-HBNTYKKESA-N 1 2 226.320 1.018 20 0 BDADLO CCCOC(=O)CCNc1cc[nH+]c(CC)n1 ZINC001353245215 982800624 /nfs/dbraw/zinc/80/06/24/982800624.db2.gz JVYMCWALXXRZIR-UHFFFAOYSA-N 1 2 237.303 1.794 20 0 BDADLO COCNC(=S)Nc1ccn2cc[nH+]c2c1 ZINC001198808319 982853217 /nfs/dbraw/zinc/85/32/17/982853217.db2.gz MMGYHAGIGNTWEO-UHFFFAOYSA-N 1 2 236.300 1.225 20 0 BDADLO O=C(CCl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000082276949 982957186 /nfs/dbraw/zinc/95/71/86/982957186.db2.gz ZZUDYTYGBRLOLW-UHFFFAOYSA-N 1 2 227.695 1.355 20 0 BDADLO CCc1ncoc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001353737810 982990581 /nfs/dbraw/zinc/99/05/81/982990581.db2.gz MNLFQNWXXIFCHY-SECBINFHSA-N 1 2 246.270 1.308 20 0 BDADLO C[NH+]1CC(NC(=S)NCC2CCCCC2)C1 ZINC001199936792 983050151 /nfs/dbraw/zinc/05/01/51/983050151.db2.gz ZETMXEFBOSEDBW-UHFFFAOYSA-N 1 2 241.404 1.345 20 0 BDADLO S=C(Nc1cccc2[nH+]ccn21)NC1CC1 ZINC001200618726 983094317 /nfs/dbraw/zinc/09/43/17/983094317.db2.gz QEYABCRAEAKQHA-UHFFFAOYSA-N 1 2 232.312 1.783 20 0 BDADLO C[C@@](CC(=O)[O-])([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC001592317952 983135583 /nfs/dbraw/zinc/13/55/83/983135583.db2.gz NXRDULVXBSCMDS-LBPRGKRZSA-N 1 2 237.303 1.116 20 0 BDADLO CN(c1cc(N)nc[nH+]1)C1Cc2ccccc2C1 ZINC001354091413 983146965 /nfs/dbraw/zinc/14/69/65/983146965.db2.gz ZGOMBGMYKFTIJE-UHFFFAOYSA-N 1 2 240.310 1.662 20 0 BDADLO Nc1cc(-c2ccc3n[nH]nc3c2)cc[nH+]1 ZINC001241940671 983155629 /nfs/dbraw/zinc/15/56/29/983155629.db2.gz NLCSHFXANNXEJO-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO Nc1ccc(Nc2cnn3c2OCCC3)c[nH+]1 ZINC001201284076 983155677 /nfs/dbraw/zinc/15/56/77/983155677.db2.gz IMLDPWZASZGJAN-UHFFFAOYSA-N 1 2 231.259 1.386 20 0 BDADLO Nc1ccc(Nc2ccc(N)[nH+]c2)c(CCO)c1 ZINC001201285278 983160317 /nfs/dbraw/zinc/16/03/17/983160317.db2.gz FXHQLAYHIOYNNU-UHFFFAOYSA-N 1 2 244.298 1.524 20 0 BDADLO CCOC(=O)c1c(N)ccn1-c1ccc(N)[nH+]c1 ZINC001201271789 983172220 /nfs/dbraw/zinc/17/22/20/983172220.db2.gz CHLJHVHSBULPAV-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO CC(=O)N1CC=C(c2ccc[nH+]c2N)CC1 ZINC001241968971 983175256 /nfs/dbraw/zinc/17/52/56/983175256.db2.gz VWIXNDGDZHQIPH-UHFFFAOYSA-N 1 2 217.272 1.299 20 0 BDADLO Cn1cnc2cc(Nc3ccc(N)[nH+]c3)cnc21 ZINC001201272871 983175782 /nfs/dbraw/zinc/17/57/82/983175782.db2.gz VMJLCBFAZNNNRH-UHFFFAOYSA-N 1 2 240.270 1.689 20 0 BDADLO CSc1ncc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201278148 983176008 /nfs/dbraw/zinc/17/60/08/983176008.db2.gz CABODVBANNYLEH-UHFFFAOYSA-N 1 2 233.300 1.919 20 0 BDADLO CCOC(=O)c1cc(Nc2ccc(N)[nH+]c2)on1 ZINC001201278227 983179205 /nfs/dbraw/zinc/17/92/05/983179205.db2.gz ADNZVVXIKXFVNC-UHFFFAOYSA-N 1 2 248.242 1.572 20 0 BDADLO CCCC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001252075924 983236077 /nfs/dbraw/zinc/23/60/77/983236077.db2.gz FGYPANFWQCZQQC-SNVBAGLBSA-N 1 2 209.293 1.748 20 0 BDADLO Cc1c[nH+]ccc1NC(=S)NC1CC1 ZINC001200618116 983254171 /nfs/dbraw/zinc/25/41/71/983254171.db2.gz AKQHRIXZQAYPRB-UHFFFAOYSA-N 1 2 207.302 1.261 20 0 BDADLO Nc1cn2ccc(-c3ccnnc3)cc2[nH+]1 ZINC001242051703 983258056 /nfs/dbraw/zinc/25/80/56/983258056.db2.gz NWGXRWXJXFRODV-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO COCc1cnc(-c2c[nH+]c(N)cc2C)nc1 ZINC001242070806 983303969 /nfs/dbraw/zinc/30/39/69/983303969.db2.gz MDUQSDABWRAOPE-UHFFFAOYSA-N 1 2 230.271 1.576 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc2nc[nH]c21 ZINC001242070764 983304759 /nfs/dbraw/zinc/30/47/59/983304759.db2.gz LCHIZJDBJZFKRQ-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nncc2cnccc21 ZINC001242072176 983308504 /nfs/dbraw/zinc/30/85/04/983308504.db2.gz DTAONTJXVAXHIA-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nnc(C)c(C)n1 ZINC001242078069 983325008 /nfs/dbraw/zinc/32/50/08/983325008.db2.gz QTNBNVHSZBEBSG-UHFFFAOYSA-N 1 2 215.260 1.441 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ccc(N)nn1 ZINC001242078402 983326993 /nfs/dbraw/zinc/32/69/93/983326993.db2.gz JXYSAYKWDVASIT-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC001354636785 983337018 /nfs/dbraw/zinc/33/70/18/983337018.db2.gz XOENGWAOAAPGTO-WDEREUQCSA-N 1 2 244.302 1.076 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC001354636785 983337022 /nfs/dbraw/zinc/33/70/22/983337022.db2.gz XOENGWAOAAPGTO-WDEREUQCSA-N 1 2 244.302 1.076 20 0 BDADLO CC[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001201583113 983345994 /nfs/dbraw/zinc/34/59/94/983345994.db2.gz VMVIMZQPGCAZKP-UHFFFAOYSA-N 1 2 205.257 1.809 20 0 BDADLO CC[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001201583113 983345999 /nfs/dbraw/zinc/34/59/99/983345999.db2.gz VMVIMZQPGCAZKP-UHFFFAOYSA-N 1 2 205.257 1.809 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC001201610114 983371889 /nfs/dbraw/zinc/37/18/89/983371889.db2.gz QBZPNWSNYZUOGL-AWEZNQCLSA-N 1 2 233.311 1.519 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC001201610114 983371898 /nfs/dbraw/zinc/37/18/98/983371898.db2.gz QBZPNWSNYZUOGL-AWEZNQCLSA-N 1 2 233.311 1.519 20 0 BDADLO CC(C)CC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201613331 983372684 /nfs/dbraw/zinc/37/26/84/983372684.db2.gz CEMNXZHXEFOEGJ-JTQLQIEISA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)CC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201613331 983372691 /nfs/dbraw/zinc/37/26/91/983372691.db2.gz CEMNXZHXEFOEGJ-JTQLQIEISA-N 1 2 221.291 1.982 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)o1 ZINC001355113422 983418002 /nfs/dbraw/zinc/41/80/02/983418002.db2.gz AQRSXJICSPFVPM-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1cnccn1 ZINC001355369756 983482238 /nfs/dbraw/zinc/48/22/38/983482238.db2.gz CNQVAGKDZWPHJF-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[NH+]1CC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001201938812 983504551 /nfs/dbraw/zinc/50/45/51/983504551.db2.gz IKQZUTNKRORWAD-QWHCGFSZSA-N 1 2 245.326 1.156 20 0 BDADLO Cc1ccc(-c2c[nH+]cn2C)cc1CO ZINC001242383698 983673051 /nfs/dbraw/zinc/67/30/51/983673051.db2.gz QWBAUWOCWNCKCP-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Nc1[nH+]cccc1CONC(=O)C1CCCC1 ZINC000853666579 983767089 /nfs/dbraw/zinc/76/70/89/983767089.db2.gz IUIDZAXODWPQIF-UHFFFAOYSA-N 1 2 235.287 1.402 20 0 BDADLO c1cnc2cc(C[N@@H+]3CCC34COC4)ccc2n1 ZINC001137088634 983934828 /nfs/dbraw/zinc/93/48/28/983934828.db2.gz ILDIWOOFPKVYCE-UHFFFAOYSA-N 1 2 241.294 1.605 20 0 BDADLO c1cnc2cc(C[N@H+]3CCC34COC4)ccc2n1 ZINC001137088634 983934835 /nfs/dbraw/zinc/93/48/35/983934835.db2.gz ILDIWOOFPKVYCE-UHFFFAOYSA-N 1 2 241.294 1.605 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NC[C@]1(C)CCCS1 ZINC001545722997 984126613 /nfs/dbraw/zinc/12/66/13/984126613.db2.gz JFFYUGFJYWSEOB-PWSUYJOCSA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NC[C@]1(C)CCCS1 ZINC001545722997 984126616 /nfs/dbraw/zinc/12/66/16/984126616.db2.gz JFFYUGFJYWSEOB-PWSUYJOCSA-N 1 2 242.388 1.483 20 0 BDADLO CCc1[nH]nc2ncc(-c3c[nH+]cn3C)cc12 ZINC001242822633 984183173 /nfs/dbraw/zinc/18/31/73/984183173.db2.gz VIXZDSYXROMQQE-UHFFFAOYSA-N 1 2 227.271 1.921 20 0 BDADLO O=C1CC[N@H+](Cc2cnccc2Cl)CCN1 ZINC001137230224 984195648 /nfs/dbraw/zinc/19/56/48/984195648.db2.gz MPXAEVYPDMFXGK-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2cnccc2Cl)CCN1 ZINC001137230224 984195651 /nfs/dbraw/zinc/19/56/51/984195651.db2.gz MPXAEVYPDMFXGK-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnccc1Cl ZINC001137240415 984206106 /nfs/dbraw/zinc/20/61/06/984206106.db2.gz COADFYNOLFMFKH-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnccc1Cl ZINC001137240415 984206111 /nfs/dbraw/zinc/20/61/11/984206111.db2.gz COADFYNOLFMFKH-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC2(CCC2)C1 ZINC001294842313 984252490 /nfs/dbraw/zinc/25/24/90/984252490.db2.gz ADDAPZFQDIGYBF-UHFFFAOYSA-N 1 2 219.288 1.286 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cn(C)cn2)cc[nH+]1 ZINC001435759289 984299542 /nfs/dbraw/zinc/29/95/42/984299542.db2.gz YRIVZZBDLKCHBQ-ONEGZZNKSA-N 1 2 242.282 1.197 20 0 BDADLO Cc1cc(NC(=O)c2ccsn2)c(C)c[nH+]1 ZINC001435758250 984300090 /nfs/dbraw/zinc/30/00/90/984300090.db2.gz OZVOPMVBHYUAFO-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO Cc1cc(-c2cncc(CO)c2)c[nH+]c1N ZINC001242971730 984309131 /nfs/dbraw/zinc/30/91/31/984309131.db2.gz CYPOXIZMZJNUQW-UHFFFAOYSA-N 1 2 215.256 1.527 20 0 BDADLO C/C(=C\C=C\[NH3+])C1=CCN(C(=O)C2CC2)CC1 ZINC001243028008 984376546 /nfs/dbraw/zinc/37/65/46/984376546.db2.gz LPIKJIBZLPTPSH-GGBREQKCSA-N 1 2 232.327 1.974 20 0 BDADLO CCc1nnc2ccc(-c3c[nH+]cn3C)cn21 ZINC001243067384 984482756 /nfs/dbraw/zinc/48/27/56/984482756.db2.gz LLEVBVGZFCUVCJ-UHFFFAOYSA-N 1 2 227.271 1.692 20 0 BDADLO COC(=O)c1ccc(N)c(-c2c[nH+]cn2C)c1 ZINC001243067562 984483000 /nfs/dbraw/zinc/48/30/00/984483000.db2.gz XXAFPNIIILZJJV-UHFFFAOYSA-N 1 2 231.255 1.456 20 0 BDADLO COCCOc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243069190 984487402 /nfs/dbraw/zinc/48/74/02/984487402.db2.gz BQDYLVFFIYZVAS-UHFFFAOYSA-N 1 2 233.271 1.507 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1N(C)C(=O)NC2 ZINC001243069130 984488894 /nfs/dbraw/zinc/48/88/94/984488894.db2.gz AMJGMQFFNHEWPO-UHFFFAOYSA-N 1 2 242.282 1.747 20 0 BDADLO Cn1cnc2cc(-c3c[nH+]cn3C)cnc21 ZINC001243069029 984489804 /nfs/dbraw/zinc/48/98/04/984489804.db2.gz NBLYXCKEXRLBIE-UHFFFAOYSA-N 1 2 213.244 1.369 20 0 BDADLO COc1ccc(-c2c[nH+]cn2C)c(N)c1 ZINC001243070025 984492049 /nfs/dbraw/zinc/49/20/49/984492049.db2.gz FBGUSRNPLRJFJL-UHFFFAOYSA-N 1 2 203.245 1.678 20 0 BDADLO COC(=O)c1cc(-c2c[nH+]cn2C)ccc1OC ZINC001243070642 984495913 /nfs/dbraw/zinc/49/59/13/984495913.db2.gz ISEOVPKSPIWBTN-UHFFFAOYSA-N 1 2 246.266 1.882 20 0 BDADLO Cc1ccc(-c2c[nH+]cn2C)cc1-c1nn[nH]n1 ZINC001243072996 984509291 /nfs/dbraw/zinc/50/92/91/984509291.db2.gz WBHVAYLGKFQIBK-UHFFFAOYSA-N 1 2 240.270 1.576 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cncc(C)c1 ZINC001447049255 984726409 /nfs/dbraw/zinc/72/64/09/984726409.db2.gz GFSSTKXTRCMVBR-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC=CO1 ZINC001448958107 984823998 /nfs/dbraw/zinc/82/39/98/984823998.db2.gz GZPHVAFQHBMNKU-NSHDSACASA-N 1 2 243.266 1.966 20 0 BDADLO [NH3+]Cc1ncc(-c2ccc(O)c(F)c2F)cn1 ZINC001243342615 984834541 /nfs/dbraw/zinc/83/45/41/984834541.db2.gz LKLLXQAQEBGNRA-UHFFFAOYSA-N 1 2 237.209 1.586 20 0 BDADLO Cc1nc(N[C@H](C)CNC(=O)[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001098190068 984844417 /nfs/dbraw/zinc/84/44/17/984844417.db2.gz RZSYFGWYWACCBP-FXPVBKGRSA-N 1 2 248.330 1.358 20 0 BDADLO Cc1nc(N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001098190069 984845740 /nfs/dbraw/zinc/84/57/40/984845740.db2.gz RZSYFGWYWACCBP-WCABBAIRSA-N 1 2 248.330 1.358 20 0 BDADLO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC001578234375 984887144 /nfs/dbraw/zinc/88/71/44/984887144.db2.gz XAYHYPLTXDMYIR-DSYKOEDSSA-N 1 2 242.216 1.144 20 0 BDADLO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001578234375 984887154 /nfs/dbraw/zinc/88/71/54/984887154.db2.gz XAYHYPLTXDMYIR-DSYKOEDSSA-N 1 2 242.216 1.144 20 0 BDADLO Nc1cn2ccc(-c3cc[nH]c(=O)c3)cc2[nH+]1 ZINC001243425643 984899546 /nfs/dbraw/zinc/89/95/46/984899546.db2.gz PEHDBTIEPRARNK-UHFFFAOYSA-N 1 2 226.239 1.684 20 0 BDADLO CCc1cc(NC(=O)[C@H]2CC[N@@H+]2CC)nn1C ZINC001451877493 984908883 /nfs/dbraw/zinc/90/88/83/984908883.db2.gz QEJAGJCUNDIVAZ-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO CCc1cc(NC(=O)[C@H]2CC[N@H+]2CC)nn1C ZINC001451877493 984908861 /nfs/dbraw/zinc/90/88/61/984908861.db2.gz QEJAGJCUNDIVAZ-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO CC[C@H](C)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001257436598 985011848 /nfs/dbraw/zinc/01/18/48/985011848.db2.gz XXEUTUXHDFXQGL-ZANVPECISA-N 1 2 237.299 1.664 20 0 BDADLO CC(=O)Nc1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243472886 985018128 /nfs/dbraw/zinc/01/81/28/985018128.db2.gz BXTYECSHHZPLGC-UHFFFAOYSA-N 1 2 228.255 1.684 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1C(=O)NC2 ZINC001243474336 985024953 /nfs/dbraw/zinc/02/49/53/985024953.db2.gz KZJWLJBGVVLXRX-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO Nc1ncccc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001243473530 985025823 /nfs/dbraw/zinc/02/58/23/985025823.db2.gz WREHYFUVIZSOIH-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccns2)C1 ZINC001454378206 985030794 /nfs/dbraw/zinc/03/07/94/985030794.db2.gz IOKATPFXHFKNMM-QMMMGPOBSA-N 1 2 225.317 1.423 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccns2)C1 ZINC001454378206 985030814 /nfs/dbraw/zinc/03/08/14/985030814.db2.gz IOKATPFXHFKNMM-QMMMGPOBSA-N 1 2 225.317 1.423 20 0 BDADLO CCO/C=C/C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454539896 985037865 /nfs/dbraw/zinc/03/78/65/985037865.db2.gz KLQWHFKCRPKFCK-VMPITWQZSA-N 1 2 247.298 1.099 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)[C@H]1CC13CC3)CC2 ZINC001454533380 985038596 /nfs/dbraw/zinc/03/85/96/985038596.db2.gz FYYGAGHNJSSEEI-LLVKDONJSA-N 1 2 243.310 1.349 20 0 BDADLO C[C@H](C(=O)NN1C[C@@H]2CCC[C@@H]2C1)n1cc[nH+]c1 ZINC001457416732 985212382 /nfs/dbraw/zinc/21/23/82/985212382.db2.gz ICKAYNVZYFTLMI-UTUOFQBUSA-N 1 2 248.330 1.207 20 0 BDADLO CC1(F)C[NH+](C2CCC3(COC3)CC2)C1 ZINC001257906992 985302301 /nfs/dbraw/zinc/30/23/01/985302301.db2.gz MISMWAFZKYDZGS-UHFFFAOYSA-N 1 2 213.296 1.989 20 0 BDADLO C[NH2+]c1ccc(NC2COCCOC2)cc1 ZINC001578760240 985324853 /nfs/dbraw/zinc/32/48/53/985324853.db2.gz MMMOJKNHEUCAOF-UHFFFAOYSA-N 1 2 222.288 1.556 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000687821431 985403505 /nfs/dbraw/zinc/40/35/05/985403505.db2.gz VJELCXZYJUBDQL-SECBINFHSA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC000687821431 985403521 /nfs/dbraw/zinc/40/35/21/985403521.db2.gz VJELCXZYJUBDQL-SECBINFHSA-N 1 2 227.333 1.273 20 0 BDADLO CCc1cn(CCCCS(C)(=O)=O)c[nH+]1 ZINC001459258989 985418036 /nfs/dbraw/zinc/41/80/36/985418036.db2.gz GOZNJTRPQXWNET-UHFFFAOYSA-N 1 2 230.333 1.270 20 0 BDADLO CCc1cn(Cc2nc([C@@H](C)OC)no2)c[nH+]1 ZINC001459266079 985429337 /nfs/dbraw/zinc/42/93/37/985429337.db2.gz ZREKGJPMGLUPPC-MRVPVSSYSA-N 1 2 236.275 1.584 20 0 BDADLO CCn1cc(-c2cc[nH+]c(N(C)C)c2)ccc1=O ZINC001243834299 985440400 /nfs/dbraw/zinc/44/04/00/985440400.db2.gz CDGVVTLTRIKLBS-UHFFFAOYSA-N 1 2 243.310 1.996 20 0 BDADLO CCOC(=O)c1cc(C2=C[NH2+]CCC2)nc(C)n1 ZINC001243948288 985627687 /nfs/dbraw/zinc/62/76/87/985627687.db2.gz YOTASOLVLXZIAD-UHFFFAOYSA-N 1 2 247.298 1.686 20 0 BDADLO CON(C)C(=O)c1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243948401 985629607 /nfs/dbraw/zinc/62/96/07/985629607.db2.gz FIRQAJKKZHUCMF-UHFFFAOYSA-N 1 2 247.298 1.439 20 0 BDADLO c1cc2c(C3=C[NH2+]CCC3)ncnn2c1 ZINC001243951541 985654620 /nfs/dbraw/zinc/65/46/20/985654620.db2.gz XVJSMFJOCJTPGI-UHFFFAOYSA-N 1 2 200.245 1.454 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](CC)c1noc(C)n1 ZINC001459933476 985671832 /nfs/dbraw/zinc/67/18/32/985671832.db2.gz KUTBHLZJWFUDDD-UWVGGRQHSA-N 1 2 227.308 1.580 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258274721 985781889 /nfs/dbraw/zinc/78/18/89/985781889.db2.gz VBCULBUEXHLACW-NXEZZACHSA-N 1 2 229.320 1.079 20 0 BDADLO COc1ncccc1C[N@@H+]1CCC[C@H]1C(C)=O ZINC001206601946 985804677 /nfs/dbraw/zinc/80/46/77/985804677.db2.gz AAUJUHHMMJZKEE-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO COc1ncccc1C[N@H+]1CCC[C@H]1C(C)=O ZINC001206601946 985804681 /nfs/dbraw/zinc/80/46/81/985804681.db2.gz AAUJUHHMMJZKEE-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO Cc1cccnc1[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC001460935289 985949424 /nfs/dbraw/zinc/94/94/24/985949424.db2.gz LIQXYVLKXRATEV-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(C3CC3)nc2)on1 ZINC001461169776 986013866 /nfs/dbraw/zinc/01/38/66/986013866.db2.gz KOKAFMACRSIFHK-UHFFFAOYSA-N 1 2 244.298 1.940 20 0 BDADLO CCc1nc(C[NH2+]Cc2cccnc2)co1 ZINC001461515714 986070507 /nfs/dbraw/zinc/07/05/07/986070507.db2.gz PXKTYYSILLQCGZ-UHFFFAOYSA-N 1 2 217.272 1.922 20 0 BDADLO O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1cnc[nH]1 ZINC001461675432 986112696 /nfs/dbraw/zinc/11/26/96/986112696.db2.gz HZDMKNURQFUZGV-GFCCVEGCSA-N 1 2 242.282 1.063 20 0 BDADLO Nc1cc(-c2cccc(F)c2CO)cc[nH+]1 ZINC001244561951 986249644 /nfs/dbraw/zinc/24/96/44/986249644.db2.gz WBUINNMTBGLPOZ-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO COc1cc(-c2cc[nH+]c(N)c2)ccc1CO ZINC001244666119 986303437 /nfs/dbraw/zinc/30/34/37/986303437.db2.gz AKDHFRHGYDVYTN-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO C[C@H](O)C1([NH2+]Cc2nn(C)cc2Cl)CC1 ZINC001462456884 986383019 /nfs/dbraw/zinc/38/30/19/986383019.db2.gz OLYKPFODNNRJRK-ZETCQYMHSA-N 1 2 229.711 1.077 20 0 BDADLO COc1ncc(-c2cc[nH+]c(N)c2)cc1O ZINC001244847339 986398381 /nfs/dbraw/zinc/39/83/81/986398381.db2.gz VBMYOJGKVZPAQW-UHFFFAOYSA-N 1 2 217.228 1.440 20 0 BDADLO Fc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC001462478774 986400497 /nfs/dbraw/zinc/40/04/97/986400497.db2.gz IYDGDXVSYNFWBM-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001096404870 986402965 /nfs/dbraw/zinc/40/29/65/986402965.db2.gz OASFQMFPFBIJCP-VWYCJHECSA-N 1 2 242.338 1.724 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001096404870 986402970 /nfs/dbraw/zinc/40/29/70/986402970.db2.gz OASFQMFPFBIJCP-VWYCJHECSA-N 1 2 242.338 1.724 20 0 BDADLO COc1ccc(-c2ccc(N)[nH+]c2)cc1N ZINC001244896315 986427666 /nfs/dbraw/zinc/42/76/66/986427666.db2.gz XHKMQKSDXIIZRZ-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(CO)cc1F ZINC001244910142 986451410 /nfs/dbraw/zinc/45/14/10/986451410.db2.gz NVRIPRFNXFQHGZ-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO NC1(c2noc([C@H]3CCCCC[NH2+]3)n2)CC1 ZINC001262167629 986540515 /nfs/dbraw/zinc/54/05/15/986540515.db2.gz UQHYAHFJVUFHRQ-MRVPVSSYSA-N 1 2 222.292 1.222 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cccc(O)c1F ZINC001464132130 986615259 /nfs/dbraw/zinc/61/52/59/986615259.db2.gz SJSCYOAOMUGXCM-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccoc1C ZINC001464605423 986648408 /nfs/dbraw/zinc/64/84/08/986648408.db2.gz PIKQIMNHSDOYSH-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC001464797229 986653553 /nfs/dbraw/zinc/65/35/53/986653553.db2.gz FUXWKNWIYSUYJY-NSHDSACASA-N 1 2 246.314 1.387 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC001464797229 986653560 /nfs/dbraw/zinc/65/35/60/986653560.db2.gz FUXWKNWIYSUYJY-NSHDSACASA-N 1 2 246.314 1.387 20 0 BDADLO CC(=O)CN(C)Cc1[nH+]c2ccccn2c1C ZINC001137268213 986706244 /nfs/dbraw/zinc/70/62/44/986706244.db2.gz RVXFBUQOZAKIDS-UHFFFAOYSA-N 1 2 231.299 1.664 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC=CO1 ZINC001465604144 986728639 /nfs/dbraw/zinc/72/86/39/986728639.db2.gz BXORMGGJGJJXRQ-JTQLQIEISA-N 1 2 221.260 1.027 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001465527876 986729754 /nfs/dbraw/zinc/72/97/54/986729754.db2.gz FAHMUWOFORTUMG-MWLCHTKSSA-N 1 2 235.331 1.908 20 0 BDADLO COc1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1F ZINC001466923432 986831236 /nfs/dbraw/zinc/83/12/36/986831236.db2.gz JYDPTTQLXZAXET-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(cnn2C)c1 ZINC001245472231 986862032 /nfs/dbraw/zinc/86/20/32/986862032.db2.gz JYBDWHLQGVQBAL-UHFFFAOYSA-N 1 2 213.244 1.369 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc2c(cnn2C)c1 ZINC001245472632 986863894 /nfs/dbraw/zinc/86/38/94/986863894.db2.gz OTSXSMMKZAKPFD-BMVOEDMYSA-N 1 2 214.272 1.844 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc(O)c(F)c1F ZINC001468003232 986878279 /nfs/dbraw/zinc/87/82/79/986878279.db2.gz GYHGVOWACVHZAL-UHFFFAOYSA-N 1 2 230.214 1.171 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](F)C1 ZINC001468271574 986894158 /nfs/dbraw/zinc/89/41/58/986894158.db2.gz NHRQSURXXCECOQ-NXEZZACHSA-N 1 2 237.278 1.016 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C2CC2)nn1C ZINC001468282098 986899189 /nfs/dbraw/zinc/89/91/89/986899189.db2.gz IFCDCCJMOLIGKU-NSHDSACASA-N 1 2 248.330 1.330 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C2CC2)nn1C ZINC001468282098 986899192 /nfs/dbraw/zinc/89/91/92/986899192.db2.gz IFCDCCJMOLIGKU-NSHDSACASA-N 1 2 248.330 1.330 20 0 BDADLO Cc1cc(-c2nccc3c2NC(=O)C3)c[nH+]c1N ZINC001245534990 986910632 /nfs/dbraw/zinc/91/06/32/986910632.db2.gz DIGIKOBONAKEPJ-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO Cc1cc(-c2cnc(N(C)C)cn2)c[nH+]c1N ZINC001245536769 986913219 /nfs/dbraw/zinc/91/32/19/986913219.db2.gz ZIHMMXMDFYPHPU-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO Cc1nc2ccc(-c3c[nH+]c(N)c(C)c3)cn2n1 ZINC001245537648 986919381 /nfs/dbraw/zinc/91/93/81/986919381.db2.gz TWHJHWNFNAKYFQ-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2cc3nccnc3cn2)c[nH+]c1N ZINC001245537127 986919804 /nfs/dbraw/zinc/91/98/04/986919804.db2.gz YLUMIFMTOYKDFO-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cc1cc(-c2ncnc3c2CCC3)c[nH+]c1N ZINC001245537122 986920927 /nfs/dbraw/zinc/92/09/27/986920927.db2.gz YKQQJXKWDPLJDK-UHFFFAOYSA-N 1 2 226.283 1.918 20 0 BDADLO COC(=O)N(C)CCNc1[nH+]cccc1OC ZINC000689575796 987061858 /nfs/dbraw/zinc/06/18/58/987061858.db2.gz MYIPFDZQQKUOED-UHFFFAOYSA-N 1 2 239.275 1.200 20 0 BDADLO Cn1cc[nH+]c1Cn1[nH]c(C2CCC2)cc1=O ZINC001245926371 987181855 /nfs/dbraw/zinc/18/18/55/987181855.db2.gz VOCAHFFCEZVAIG-UHFFFAOYSA-N 1 2 232.287 1.638 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1C1CCCC1 ZINC001245927333 987182591 /nfs/dbraw/zinc/18/25/91/987182591.db2.gz OTRSRKQDISJIQA-UHFFFAOYSA-N 1 2 207.277 1.391 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC(=O)C(C)(C)C ZINC001472406320 987221170 /nfs/dbraw/zinc/22/11/70/987221170.db2.gz LANPSRITDUWPMJ-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(C)CC(=O)C(C)(C)C ZINC001472406320 987221181 /nfs/dbraw/zinc/22/11/81/987221181.db2.gz LANPSRITDUWPMJ-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1ncncc1NC(=O)CCc1c[nH+]cn1C ZINC001472628315 987260630 /nfs/dbraw/zinc/26/06/30/987260630.db2.gz HCYKGSGXORIUCV-UHFFFAOYSA-N 1 2 245.286 1.090 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC001473289033 987392102 /nfs/dbraw/zinc/39/21/02/987392102.db2.gz GBYUYSOEXIHADV-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC001473289033 987392106 /nfs/dbraw/zinc/39/21/06/987392106.db2.gz GBYUYSOEXIHADV-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO CC(F)(F)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001473829695 987574902 /nfs/dbraw/zinc/57/49/02/987574902.db2.gz ZHJSYCDQYBNHHQ-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCCC3)C2)[nH]n1 ZINC001116445475 987574958 /nfs/dbraw/zinc/57/49/58/987574958.db2.gz OCEOQXDVCRZCOM-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCCC3)C2)[nH]n1 ZINC001116445475 987574980 /nfs/dbraw/zinc/57/49/80/987574980.db2.gz OCEOQXDVCRZCOM-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3nonc3c2)cs1 ZINC001474291300 987676959 /nfs/dbraw/zinc/67/69/59/987676959.db2.gz MLZUMIGGPIOGGE-UHFFFAOYSA-N 1 2 246.295 1.969 20 0 BDADLO Cc1ccc(C[C@H](C)N[C@@H]2C[NH2+]CCC2=O)cc1 ZINC001246286598 987679346 /nfs/dbraw/zinc/67/93/46/987679346.db2.gz DFNQDYXKQINYQY-GXTWGEPZSA-N 1 2 246.354 1.447 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)[nH]n1 ZINC001116773620 987703047 /nfs/dbraw/zinc/70/30/47/987703047.db2.gz OJUWDZMUYDQGMP-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)[nH]n1 ZINC001116773620 987703054 /nfs/dbraw/zinc/70/30/54/987703054.db2.gz OJUWDZMUYDQGMP-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO C[C@@H](C(=O)NC1(C(F)F)CC1)n1cc[nH+]c1 ZINC001116921396 987759359 /nfs/dbraw/zinc/75/93/59/987759359.db2.gz GZATUSQNUCQZCI-ZETCQYMHSA-N 1 2 229.230 1.358 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC001117166835 987793245 /nfs/dbraw/zinc/79/32/45/987793245.db2.gz HAXJMWZEORLFHF-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC001117166835 987793250 /nfs/dbraw/zinc/79/32/50/987793250.db2.gz HAXJMWZEORLFHF-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CC(C)(C)C2)c1 ZINC001478783347 987884377 /nfs/dbraw/zinc/88/43/77/987884377.db2.gz HVAYSZFEBPSQGO-UHFFFAOYSA-N 1 2 236.319 1.014 20 0 BDADLO Cc1nnc([C@H](C)N2CCc3[nH+]c[nH]c3C2)o1 ZINC001117777267 987905261 /nfs/dbraw/zinc/90/52/61/987905261.db2.gz JIWICPKYYOMYOH-ZETCQYMHSA-N 1 2 233.275 1.220 20 0 BDADLO CC(C)[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001480463636 987965270 /nfs/dbraw/zinc/96/52/70/987965270.db2.gz GPTDAPOSVSGQQC-RNFRBKRXSA-N 1 2 244.232 1.390 20 0 BDADLO CC(C)[NH2+][C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001480463636 987965275 /nfs/dbraw/zinc/96/52/75/987965275.db2.gz GPTDAPOSVSGQQC-RNFRBKRXSA-N 1 2 244.232 1.390 20 0 BDADLO C[C@@H](C(=O)N1C2CCC1CC2)n1cc[nH+]c1 ZINC001322024920 988077119 /nfs/dbraw/zinc/07/71/19/988077119.db2.gz KMESMSKOCLTBSQ-WHXUTIOJSA-N 1 2 219.288 1.598 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)n1cc[nH+]c1 ZINC001322143807 988142674 /nfs/dbraw/zinc/14/26/74/988142674.db2.gz GAQNMSJKVSLCHT-GARJFASQSA-N 1 2 233.315 1.559 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)n(C)n1 ZINC001322301343 988197464 /nfs/dbraw/zinc/19/74/64/988197464.db2.gz GJLYVMAJIGHNDG-ZJUUUORDSA-N 1 2 248.334 1.269 20 0 BDADLO Cc1nn(C)c(C)c1Cc1nnc(C[NH+](C)C)o1 ZINC001322583897 988331089 /nfs/dbraw/zinc/33/10/89/988331089.db2.gz YXHGPANCRXNLJV-UHFFFAOYSA-N 1 2 249.318 1.072 20 0 BDADLO C[NH+](C)Cc1nnc(C2(CF)CCC2)o1 ZINC001118433321 988348150 /nfs/dbraw/zinc/34/81/50/988348150.db2.gz SBEAGOMHUUHGOG-UHFFFAOYSA-N 1 2 213.256 1.522 20 0 BDADLO CC(=O)NC/C=C/C[NH2+][C@H](C)c1ncc(C)o1 ZINC001497512118 988385400 /nfs/dbraw/zinc/38/54/00/988385400.db2.gz MICBOHZMJJPZMJ-ORAHPGNNSA-N 1 2 237.303 1.326 20 0 BDADLO c1nnc(C[N@@H+]2CCC3(CCCC3)C2)[nH]1 ZINC001118556689 988432749 /nfs/dbraw/zinc/43/27/49/988432749.db2.gz JKQGFSHHVGTKEL-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO c1nnc(C[N@H+]2CCC3(CCCC3)C2)[nH]1 ZINC001118556689 988432763 /nfs/dbraw/zinc/43/27/63/988432763.db2.gz JKQGFSHHVGTKEL-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO O=C(c1cnco1)N1CCC(n2cc[nH+]c2)CC1 ZINC001323053304 988441288 /nfs/dbraw/zinc/44/12/88/988441288.db2.gz WEKJBJQLRNMFGM-UHFFFAOYSA-N 1 2 246.270 1.348 20 0 BDADLO CC(F)(F)CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001323303009 988494371 /nfs/dbraw/zinc/49/43/71/988494371.db2.gz QRSFMFURYBRHOO-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001323303009 988494377 /nfs/dbraw/zinc/49/43/77/988494377.db2.gz QRSFMFURYBRHOO-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO C[C@H](C(=O)NCCCCCCO)n1cc[nH+]c1 ZINC001323452151 988534951 /nfs/dbraw/zinc/53/49/51/988534951.db2.gz LOFHIXPMYNKVLJ-LLVKDONJSA-N 1 2 239.319 1.113 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC001323930593 988655246 /nfs/dbraw/zinc/65/52/46/988655246.db2.gz NIQSRJGESGMFIP-NEPJUHHUSA-N 1 2 241.331 1.487 20 0 BDADLO COC[C@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001118941644 988723521 /nfs/dbraw/zinc/72/35/21/988723521.db2.gz IRPYTDWWTWYKDH-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]1C(F)(F)F)n1cc[nH+]c1 ZINC001118996728 988784709 /nfs/dbraw/zinc/78/47/09/988784709.db2.gz REWZVCNQAMGVPS-BWZBUEFSSA-N 1 2 247.220 1.511 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1F ZINC001119047948 988815126 /nfs/dbraw/zinc/81/51/26/988815126.db2.gz YSXASTWURVGHHQ-MNOVXSKESA-N 1 2 239.294 1.670 20 0 BDADLO CC(C)OC1CN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001119108273 988839501 /nfs/dbraw/zinc/83/95/01/988839501.db2.gz SRWLFZOTCNJVQK-SNVBAGLBSA-N 1 2 237.303 1.080 20 0 BDADLO COc1ccc2c(c1)[nH+]c(CCCCO)n2C ZINC001247020780 988845814 /nfs/dbraw/zinc/84/58/14/988845814.db2.gz OVUJUQIGBZXQHY-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO C[C@H](O)c1ncc(C[NH2+]Cc2ncc[nH]2)s1 ZINC001119246874 988861873 /nfs/dbraw/zinc/86/18/73/988861873.db2.gz KJVLTIXYTCKGEY-ZETCQYMHSA-N 1 2 238.316 1.209 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1ccc[nH]1)n1cc[nH+]c1 ZINC001324521414 988866114 /nfs/dbraw/zinc/86/61/14/988866114.db2.gz VVUUADHYAPVCEJ-VHSXEESVSA-N 1 2 232.287 1.650 20 0 BDADLO Cc1ccoc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324579604 988881409 /nfs/dbraw/zinc/88/14/09/988881409.db2.gz CPAIIHMYVPCSCM-SNVBAGLBSA-N 1 2 233.271 1.662 20 0 BDADLO Cc1cnc(NCC[N@@H+]2CCO[C@H](C)C2)o1 ZINC001119343457 988981336 /nfs/dbraw/zinc/98/13/36/988981336.db2.gz IQYVFWFFVHBUEI-SNVBAGLBSA-N 1 2 225.292 1.116 20 0 BDADLO Cc1cnc(NCC[N@H+]2CCO[C@H](C)C2)o1 ZINC001119343457 988981348 /nfs/dbraw/zinc/98/13/48/988981348.db2.gz IQYVFWFFVHBUEI-SNVBAGLBSA-N 1 2 225.292 1.116 20 0 BDADLO CCc1ccc(N2C[C@@H](C(N)=O)CC[C@@H]2C)[nH+]c1 ZINC001515361505 989035751 /nfs/dbraw/zinc/03/57/51/989035751.db2.gz GXRNUSRKNREPCT-JQWIXIFHSA-N 1 2 247.342 1.734 20 0 BDADLO C[N@H+](CCC(F)(F)F)CC1OCCO1 ZINC001324980378 989040391 /nfs/dbraw/zinc/04/03/91/989040391.db2.gz XSNZAZNMXQGVRL-UHFFFAOYSA-N 1 2 213.199 1.244 20 0 BDADLO C[N@@H+](CCC(F)(F)F)CC1OCCO1 ZINC001324980378 989040401 /nfs/dbraw/zinc/04/04/01/989040401.db2.gz XSNZAZNMXQGVRL-UHFFFAOYSA-N 1 2 213.199 1.244 20 0 BDADLO CCc1nc(NCC[S@](=O)CC)cc[nH+]1 ZINC001119404797 989044391 /nfs/dbraw/zinc/04/43/91/989044391.db2.gz XSHMXQWKPOLTBM-OAHLLOKOSA-N 1 2 227.333 1.220 20 0 BDADLO CCc1ccc(N2CCN3C(=O)CC[C@H]3C2)[nH+]c1 ZINC001515594494 989076736 /nfs/dbraw/zinc/07/67/36/989076736.db2.gz IJSUQFFOLITFLJ-LBPRGKRZSA-N 1 2 245.326 1.455 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1C ZINC001119449041 989079483 /nfs/dbraw/zinc/07/94/83/989079483.db2.gz PHHAAJRMHFIBBC-ZDUSSCGKSA-N 1 2 235.331 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1C ZINC001119449041 989079494 /nfs/dbraw/zinc/07/94/94/989079494.db2.gz PHHAAJRMHFIBBC-ZDUSSCGKSA-N 1 2 235.331 1.373 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cccnc2C)no1 ZINC001248189073 989083567 /nfs/dbraw/zinc/08/35/67/989083567.db2.gz ZFIFFPZVHRUYPI-VIFPVBQESA-N 1 2 234.259 1.086 20 0 BDADLO CC(C)(COC(=O)[C@H]1C[C@H]1F)n1cc[nH+]c1 ZINC001515914210 989127469 /nfs/dbraw/zinc/12/74/69/989127469.db2.gz LIPPBVRPXCXOIG-DTWKUNHWSA-N 1 2 226.251 1.519 20 0 BDADLO CCc1ccc(N(CC)CCC(=O)NC)[nH+]c1 ZINC001516052201 989137516 /nfs/dbraw/zinc/13/75/16/989137516.db2.gz SVHMTWRSLWFNDX-UHFFFAOYSA-N 1 2 235.331 1.606 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H](F)C1 ZINC001325280027 989140910 /nfs/dbraw/zinc/14/09/10/989140910.db2.gz WUDNBOQKIGNDTM-VIFPVBQESA-N 1 2 233.246 1.518 20 0 BDADLO C[N@H+](Cc1ccc2n1CCC2)C1(C)COC1 ZINC001248824547 989172611 /nfs/dbraw/zinc/17/26/11/989172611.db2.gz SDGFIJRXELRKEE-UHFFFAOYSA-N 1 2 220.316 1.655 20 0 BDADLO C[N@@H+](Cc1ccc2n1CCC2)C1(C)COC1 ZINC001248824547 989172616 /nfs/dbraw/zinc/17/26/16/989172616.db2.gz SDGFIJRXELRKEE-UHFFFAOYSA-N 1 2 220.316 1.655 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3n2CCC3)C[C@H]1F ZINC001248820897 989173827 /nfs/dbraw/zinc/17/38/27/989173827.db2.gz HFSDXYMVLSUASZ-CHWSQXEVSA-N 1 2 238.306 1.339 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3n2CCC3)C[C@H]1F ZINC001248820897 989173836 /nfs/dbraw/zinc/17/38/36/989173836.db2.gz HFSDXYMVLSUASZ-CHWSQXEVSA-N 1 2 238.306 1.339 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248820951 989178425 /nfs/dbraw/zinc/17/84/25/989178425.db2.gz ISPRJIKGEJAQBZ-NSHDSACASA-N 1 2 220.316 1.655 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2n1CCC2 ZINC001248820951 989178431 /nfs/dbraw/zinc/17/84/31/989178431.db2.gz ISPRJIKGEJAQBZ-NSHDSACASA-N 1 2 220.316 1.655 20 0 BDADLO c1cc2n(c1C[N@H+]1C[C@H]3C[C@@H](C1)O3)CCC2 ZINC001248824624 989183480 /nfs/dbraw/zinc/18/34/80/989183480.db2.gz VLUFKJRJXTUBPV-BETUJISGSA-N 1 2 218.300 1.407 20 0 BDADLO c1cc2n(c1C[N@@H+]1C[C@H]3C[C@@H](C1)O3)CCC2 ZINC001248824624 989183497 /nfs/dbraw/zinc/18/34/97/989183497.db2.gz VLUFKJRJXTUBPV-BETUJISGSA-N 1 2 218.300 1.407 20 0 BDADLO c1cc2n(c1C[N@@H+]1C[C@@H]3C[C@H]1CO3)CCC2 ZINC001248824028 989183612 /nfs/dbraw/zinc/18/36/12/989183612.db2.gz VTEQSFOXLNIPRB-STQMWFEESA-N 1 2 218.300 1.407 20 0 BDADLO c1cc2n(c1C[N@H+]1C[C@@H]3C[C@H]1CO3)CCC2 ZINC001248824028 989183618 /nfs/dbraw/zinc/18/36/18/989183618.db2.gz VTEQSFOXLNIPRB-STQMWFEESA-N 1 2 218.300 1.407 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001248972049 989233657 /nfs/dbraw/zinc/23/36/57/989233657.db2.gz GKXULCKLHVUCAA-AWEZNQCLSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001248972049 989233666 /nfs/dbraw/zinc/23/36/66/989233666.db2.gz GKXULCKLHVUCAA-AWEZNQCLSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001248972050 989233946 /nfs/dbraw/zinc/23/39/46/989233946.db2.gz GKXULCKLHVUCAA-CQSZACIVSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001248972050 989233952 /nfs/dbraw/zinc/23/39/52/989233952.db2.gz GKXULCKLHVUCAA-CQSZACIVSA-N 1 2 247.342 1.848 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC001325902861 989303486 /nfs/dbraw/zinc/30/34/86/989303486.db2.gz IPSVQYZJFAQINK-RKDXNWHRSA-N 1 2 205.261 1.113 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)sn2)C1 ZINC001249571181 989312103 /nfs/dbraw/zinc/31/21/03/989312103.db2.gz MWTZUXJXNHYBAF-SECBINFHSA-N 1 2 240.328 1.446 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)sn2)C1 ZINC001249571181 989312108 /nfs/dbraw/zinc/31/21/08/989312108.db2.gz MWTZUXJXNHYBAF-SECBINFHSA-N 1 2 240.328 1.446 20 0 BDADLO C[C@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001518511272 989316842 /nfs/dbraw/zinc/31/68/42/989316842.db2.gz JQUBERGGDQXYIA-YPMHNXCESA-N 1 2 241.306 1.930 20 0 BDADLO C[C@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001518511272 989316845 /nfs/dbraw/zinc/31/68/45/989316845.db2.gz JQUBERGGDQXYIA-YPMHNXCESA-N 1 2 241.306 1.930 20 0 BDADLO CCN1CCc2ccc(C[NH+]3CC(OC)C3)cc21 ZINC001249657258 989338248 /nfs/dbraw/zinc/33/82/48/989338248.db2.gz FFGOHPCOUHWIAN-UHFFFAOYSA-N 1 2 246.354 1.900 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001119743604 989382087 /nfs/dbraw/zinc/38/20/87/989382087.db2.gz MLCMUQADBRAENP-NEOSZVFXSA-N 1 2 211.305 1.490 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001119743604 989382090 /nfs/dbraw/zinc/38/20/90/989382090.db2.gz MLCMUQADBRAENP-NEOSZVFXSA-N 1 2 211.305 1.490 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC001119765381 989393700 /nfs/dbraw/zinc/39/37/00/989393700.db2.gz IIJXXQPXFHOZLB-ZADCQDASSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC001119765381 989393708 /nfs/dbraw/zinc/39/37/08/989393708.db2.gz IIJXXQPXFHOZLB-ZADCQDASSA-N 1 2 241.331 1.605 20 0 BDADLO CCc1ncc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC001119811153 989414598 /nfs/dbraw/zinc/41/45/98/989414598.db2.gz WVZHXUGSAACWCG-XXFAHNHDSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1ncc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC001119811153 989414603 /nfs/dbraw/zinc/41/46/03/989414603.db2.gz WVZHXUGSAACWCG-XXFAHNHDSA-N 1 2 244.360 1.436 20 0 BDADLO CCOCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001519584014 989434467 /nfs/dbraw/zinc/43/44/67/989434467.db2.gz NKJVNIPGNGDNEB-UHFFFAOYSA-N 1 2 226.276 1.198 20 0 BDADLO Clc1nccnc1N1CCn2c[nH+]cc2C1 ZINC001119958533 989509639 /nfs/dbraw/zinc/50/96/39/989509639.db2.gz GPAIFAZLFDIHLA-UHFFFAOYSA-N 1 2 235.678 1.347 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001119975353 989534233 /nfs/dbraw/zinc/53/42/33/989534233.db2.gz UKRFWDMIFGCQDL-NTSWFWBYSA-N 1 2 233.218 1.274 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@]1(C)CC1(C)C ZINC001520347241 989546788 /nfs/dbraw/zinc/54/67/88/989546788.db2.gz PQSXHIPKQOIKPK-CYBMUJFWSA-N 1 2 235.331 1.658 20 0 BDADLO CCc1cc(N2CC[C@H](OC)C2)nc(CC)[nH+]1 ZINC001120028205 989567358 /nfs/dbraw/zinc/56/73/58/989567358.db2.gz XZXSKXDHRFNNRV-NSHDSACASA-N 1 2 235.331 1.827 20 0 BDADLO CSC(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001520631943 989584149 /nfs/dbraw/zinc/58/41/49/989584149.db2.gz CRVLOUXYISIAMO-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO CON(Cc1ccc(C)o1)C(=O)Cc1c[nH+]c[nH]1 ZINC001520708679 989590981 /nfs/dbraw/zinc/59/09/81/989590981.db2.gz MJHLSNPNGXLOMI-UHFFFAOYSA-N 1 2 249.270 1.444 20 0 BDADLO COCCC(C)(C)c1nnc(C[NH+](C)C)o1 ZINC001326554189 989602946 /nfs/dbraw/zinc/60/29/46/989602946.db2.gz UUHPUBQHNQVEBD-UHFFFAOYSA-N 1 2 227.308 1.445 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001326717728 989661924 /nfs/dbraw/zinc/66/19/24/989661924.db2.gz SMEBLDDRGRSJFM-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001326717728 989661931 /nfs/dbraw/zinc/66/19/31/989661931.db2.gz SMEBLDDRGRSJFM-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001326717732 989662301 /nfs/dbraw/zinc/66/23/01/989662301.db2.gz SMEBLDDRGRSJFM-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001326717732 989662304 /nfs/dbraw/zinc/66/23/04/989662304.db2.gz SMEBLDDRGRSJFM-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO CNc1cc(CNC(=O)N2CC[C@@H]2C)cc[nH+]1 ZINC001521341891 989687792 /nfs/dbraw/zinc/68/77/92/989687792.db2.gz AGKCLMGYPISHGI-VIFPVBQESA-N 1 2 234.303 1.427 20 0 BDADLO CCc1cccc(C[NH+]2CC(NC(=O)OC)C2)c1 ZINC001326779020 989703816 /nfs/dbraw/zinc/70/38/16/989703816.db2.gz RSGQHPVBRBAKIK-UHFFFAOYSA-N 1 2 248.326 1.789 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001522326362 989845334 /nfs/dbraw/zinc/84/53/34/989845334.db2.gz AFWCDYLGUOLDCL-WPRPVWTQSA-N 1 2 237.303 1.008 20 0 BDADLO Nc1cc(N2CCC([C@H]3CCOC3)CC2)[nH+]cn1 ZINC001120834824 989915403 /nfs/dbraw/zinc/91/54/03/989915403.db2.gz ZRMKDIRIYBSIKO-NSHDSACASA-N 1 2 248.330 1.312 20 0 BDADLO C[C@H](O)C(C)(C)CNc1cc[nH+]cc1F ZINC001120887757 989947343 /nfs/dbraw/zinc/94/73/43/989947343.db2.gz XPVWGDRXRAGZSE-QMMMGPOBSA-N 1 2 212.268 1.462 20 0 BDADLO Cc1cc(F)cc(N2CCN3C(=O)CC[C@H]3C2)[nH+]1 ZINC001120912895 989962838 /nfs/dbraw/zinc/96/28/38/989962838.db2.gz CNGRPDJIJZYNKK-NSHDSACASA-N 1 2 249.289 1.340 20 0 BDADLO Cc1cc(F)cc(N2CC(=O)N(C)[C@@H](C)C2)[nH+]1 ZINC001120933589 989976386 /nfs/dbraw/zinc/97/63/86/989976386.db2.gz UZXQZXOXLLBOTC-VIFPVBQESA-N 1 2 237.278 1.196 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)COC(C)(C)C ZINC001121140818 990022495 /nfs/dbraw/zinc/02/24/95/990022495.db2.gz UDNDOBGEMNEWQU-UHFFFAOYSA-N 1 2 236.315 1.874 20 0 BDADLO O=C(NCCC(F)F)c1cccc2[nH+]ccn21 ZINC001121293817 990068207 /nfs/dbraw/zinc/06/82/07/990068207.db2.gz XBWYSVVXKTXYOO-UHFFFAOYSA-N 1 2 239.225 1.719 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC(C)(C)C ZINC001527420340 990222340 /nfs/dbraw/zinc/22/23/40/990222340.db2.gz LJHCSRZMOXRYFV-UHFFFAOYSA-N 1 2 209.293 1.267 20 0 BDADLO Cc1cccc(NC(=O)CCc2[nH+]ccn2C)n1 ZINC001527460804 990224470 /nfs/dbraw/zinc/22/44/70/990224470.db2.gz FXUDGRPAAHHVGY-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)o1 ZINC001527795859 990245290 /nfs/dbraw/zinc/24/52/90/990245290.db2.gz XJYBRKSKXTUYRM-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO O=C(N[C@@H]1C=CCC1)c1cccc2[nH+]ccn21 ZINC001531369282 990391549 /nfs/dbraw/zinc/39/15/49/990391549.db2.gz CVHVBHYIVWNFAZ-SNVBAGLBSA-N 1 2 227.267 1.783 20 0 BDADLO Cc1conc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001533645056 990431606 /nfs/dbraw/zinc/43/16/06/990431606.db2.gz KTHNBAHPPZNMSH-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccncn1 ZINC001534711662 990455783 /nfs/dbraw/zinc/45/57/83/990455783.db2.gz AXKDPGYWVVUXQQ-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO CC[C@H](F)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC001122894741 990459442 /nfs/dbraw/zinc/45/94/42/990459442.db2.gz GFIGZSRHOXYSGM-JTQLQIEISA-N 1 2 240.278 1.939 20 0 BDADLO C[C@H](C(=O)NCCc1[nH+]ccn1C)c1ccco1 ZINC001123920694 990703533 /nfs/dbraw/zinc/70/35/33/990703533.db2.gz ASQIJYXONJHDSE-JTQLQIEISA-N 1 2 247.298 1.476 20 0 BDADLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC001543789308 990704057 /nfs/dbraw/zinc/70/40/57/990704057.db2.gz OLKYYCLCVXDFJJ-ONGXEEELSA-N 1 2 249.314 1.074 20 0 BDADLO CCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001544477109 990724860 /nfs/dbraw/zinc/72/48/60/990724860.db2.gz PSEPSNQWMCGECA-MRVPVSSYSA-N 1 2 209.293 1.565 20 0 BDADLO CCCC(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001124014130 990733349 /nfs/dbraw/zinc/73/33/49/990733349.db2.gz BAQKUMMEPCCOKR-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO Cc1cc(F)cc(N2C[C@H]3C[C@@]3(O)C2)[nH+]1 ZINC001548521018 990767528 /nfs/dbraw/zinc/76/75/28/990767528.db2.gz SFWMREXILTWXBR-LDYMZIIASA-N 1 2 208.236 1.100 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001556273087 990815918 /nfs/dbraw/zinc/81/59/18/990815918.db2.gz LLJBMRMLCAGREX-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO CC(C(=O)N[C@H]1CCn2cc[nH+]c2C1)=C1CCC1 ZINC001556275481 990818055 /nfs/dbraw/zinc/81/80/55/990818055.db2.gz QEYXAKJUSHKZFA-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO OC1C[NH+](Cc2cccc(-c3cncnc3)c2)C1 ZINC001137762951 990848726 /nfs/dbraw/zinc/84/87/26/990848726.db2.gz DWNRHHIHKGSAEE-UHFFFAOYSA-N 1 2 241.294 1.320 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2F)C[C@H]1O ZINC001137868638 990862349 /nfs/dbraw/zinc/86/23/49/990862349.db2.gz MKGYKVWCTUHQDU-WRWORJQWSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2F)C[C@H]1O ZINC001137868638 990862353 /nfs/dbraw/zinc/86/23/53/990862353.db2.gz MKGYKVWCTUHQDU-WRWORJQWSA-N 1 2 245.244 1.917 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001556971572 990867197 /nfs/dbraw/zinc/86/71/97/990867197.db2.gz CRVWISAQZRUXFN-USWWRNFRSA-N 1 2 233.315 1.267 20 0 BDADLO COCC[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001557035216 990871720 /nfs/dbraw/zinc/87/17/20/990871720.db2.gz VAZCJSFQUFWWTC-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO CC(=O)Oc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001138043748 990877417 /nfs/dbraw/zinc/87/74/17/990877417.db2.gz FLSXFKFOAUCPAP-OKILXGFUSA-N 1 2 247.294 1.585 20 0 BDADLO CC(=O)Oc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001138043748 990877420 /nfs/dbraw/zinc/87/74/20/990877420.db2.gz FLSXFKFOAUCPAP-OKILXGFUSA-N 1 2 247.294 1.585 20 0 BDADLO C[NH+](C)CCCNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001598220812 990898943 /nfs/dbraw/zinc/89/89/43/990898943.db2.gz XSVHZTUHOBMVDM-UHFFFAOYSA-N 1 2 237.303 1.072 20 0 BDADLO CCOC1C[NH+](Cc2ncccc2O)C1 ZINC001138391765 990927669 /nfs/dbraw/zinc/92/76/69/990927669.db2.gz WRGMFEMSERHPSG-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ncccc2O)n(C)n1 ZINC001138394020 990932096 /nfs/dbraw/zinc/93/20/96/990932096.db2.gz CNFAKLQERBMPEP-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ncccc2O)n(C)n1 ZINC001138394020 990932105 /nfs/dbraw/zinc/93/21/05/990932105.db2.gz CNFAKLQERBMPEP-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ncccc1O ZINC001138396139 990935423 /nfs/dbraw/zinc/93/54/23/990935423.db2.gz JORAJCVALVISNW-QWRGUYRKSA-N 1 2 233.315 1.066 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ncccc1O ZINC001138396139 990935427 /nfs/dbraw/zinc/93/54/27/990935427.db2.gz JORAJCVALVISNW-QWRGUYRKSA-N 1 2 233.315 1.066 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC000162085510 990946781 /nfs/dbraw/zinc/94/67/81/990946781.db2.gz NCILMFJPHHPJIT-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO CC/C=C(\C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001558497146 990947766 /nfs/dbraw/zinc/94/77/66/990947766.db2.gz CZRPFLKXENZHGM-RMKNXTFCSA-N 1 2 221.304 1.945 20 0 BDADLO CCC=C(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001558497146 990947773 /nfs/dbraw/zinc/94/77/73/990947773.db2.gz CZRPFLKXENZHGM-RMKNXTFCSA-N 1 2 221.304 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)C2(CF)CCC2)c[nH+]1 ZINC001558498342 990956906 /nfs/dbraw/zinc/95/69/06/990956906.db2.gz ZWTJEMPCXKVWNU-UHFFFAOYSA-N 1 2 239.294 1.728 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2(CF)CCC2)[nH+]1 ZINC001558498342 990956909 /nfs/dbraw/zinc/95/69/09/990956909.db2.gz ZWTJEMPCXKVWNU-UHFFFAOYSA-N 1 2 239.294 1.728 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ncc[nH]2)[nH+]1 ZINC001558559602 990964399 /nfs/dbraw/zinc/96/43/99/990964399.db2.gz AIJNDSXZPFFJJQ-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ncc[nH]2)c[nH+]1 ZINC001558559602 990964409 /nfs/dbraw/zinc/96/44/09/990964409.db2.gz AIJNDSXZPFFJJQ-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C2CC(=O)C2)[nH+]1 ZINC001558560543 990969215 /nfs/dbraw/zinc/96/92/15/990969215.db2.gz HOGTVWFBXIARLH-UHFFFAOYSA-N 1 2 235.287 1.128 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C2CC(=O)C2)c[nH+]1 ZINC001558560543 990969231 /nfs/dbraw/zinc/96/92/31/990969231.db2.gz HOGTVWFBXIARLH-UHFFFAOYSA-N 1 2 235.287 1.128 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nc2c(o1)CCCC2 ZINC001558773629 990991622 /nfs/dbraw/zinc/99/16/22/990991622.db2.gz RVXRFPIBJFFVMR-SNVBAGLBSA-N 1 2 249.314 1.586 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1nc2c(o1)CCCC2 ZINC001558773629 990991632 /nfs/dbraw/zinc/99/16/32/990991632.db2.gz RVXRFPIBJFFVMR-SNVBAGLBSA-N 1 2 249.314 1.586 20 0 BDADLO CCSc1ncc(C[NH+]2CCC2)cn1 ZINC001138650684 990996966 /nfs/dbraw/zinc/99/69/66/990996966.db2.gz CRXZVOUPTIBEQN-UHFFFAOYSA-N 1 2 209.318 1.794 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCCC(=O)CC1 ZINC001138690647 991006709 /nfs/dbraw/zinc/00/67/09/991006709.db2.gz OWWSMFHOILSGJK-UHFFFAOYSA-N 1 2 233.315 1.678 20 0 BDADLO CNc1ncccc1C[N@H+]1CCCC(=O)CC1 ZINC001138690647 991006713 /nfs/dbraw/zinc/00/67/13/991006713.db2.gz OWWSMFHOILSGJK-UHFFFAOYSA-N 1 2 233.315 1.678 20 0 BDADLO CC[N@H+](Cc1cccnc1NC)C1CN(C)C1 ZINC001138694762 991007430 /nfs/dbraw/zinc/00/74/30/991007430.db2.gz JVOXKXFGJZVPJB-UHFFFAOYSA-N 1 2 234.347 1.259 20 0 BDADLO CC[N@@H+](Cc1cccnc1NC)C1CN(C)C1 ZINC001138694762 991007441 /nfs/dbraw/zinc/00/74/41/991007441.db2.gz JVOXKXFGJZVPJB-UHFFFAOYSA-N 1 2 234.347 1.259 20 0 BDADLO CCCn1c[nH+]cc1CNc1nncn1C1CC1 ZINC001308528240 991017325 /nfs/dbraw/zinc/01/73/25/991017325.db2.gz IDIPURHFCVXZBW-UHFFFAOYSA-N 1 2 246.318 1.832 20 0 BDADLO Fc1cccc(C=CC[NH2+]Cc2nnc[nH]2)c1 ZINC001308558518 991039900 /nfs/dbraw/zinc/03/99/00/991039900.db2.gz MCZFYOALPNZOPX-RQOWECAXSA-N 1 2 232.262 1.747 20 0 BDADLO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nnc(CO)[nH]1 ZINC001308558613 991042379 /nfs/dbraw/zinc/04/23/79/991042379.db2.gz UUMOEPDSTRHABJ-RKDXNWHRSA-N 1 2 238.335 1.211 20 0 BDADLO Fc1ncccc1C[N@@H+]1CCCOCC1 ZINC001138785181 991045234 /nfs/dbraw/zinc/04/52/34/991045234.db2.gz QBNFETLIADDZBA-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO Fc1ncccc1C[N@H+]1CCCOCC1 ZINC001138785181 991045243 /nfs/dbraw/zinc/04/52/43/991045243.db2.gz QBNFETLIADDZBA-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO Fc1ncccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001138790781 991050566 /nfs/dbraw/zinc/05/05/66/991050566.db2.gz CKCBCKBZFIIAGO-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ncccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001138790781 991050571 /nfs/dbraw/zinc/05/05/71/991050571.db2.gz CKCBCKBZFIIAGO-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cnn(C)c3C2)nn1C ZINC001138832033 991084861 /nfs/dbraw/zinc/08/48/61/991084861.db2.gz GVIMPPAZMQCKQF-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cnn(C)c3C2)nn1C ZINC001138832033 991084867 /nfs/dbraw/zinc/08/48/67/991084867.db2.gz GVIMPPAZMQCKQF-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO C[C@@H](Cc1ccco1)N1CC[NH2+]CC(F)(F)C1 ZINC001258186810 991096933 /nfs/dbraw/zinc/09/69/33/991096933.db2.gz SSODVYJXZQTYSD-JTQLQIEISA-N 1 2 244.285 1.751 20 0 BDADLO C[C@H](Cc1ccco1)[N@@H+]1CCn2ccnc2C1 ZINC001258188545 991101535 /nfs/dbraw/zinc/10/15/35/991101535.db2.gz MBSQEZRXYWKZNV-LLVKDONJSA-N 1 2 231.299 1.923 20 0 BDADLO C[C@H](Cc1ccco1)[N@H+]1CCn2ccnc2C1 ZINC001258188545 991101539 /nfs/dbraw/zinc/10/15/39/991101539.db2.gz MBSQEZRXYWKZNV-LLVKDONJSA-N 1 2 231.299 1.923 20 0 BDADLO CSCC[C@@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001258213855 991139180 /nfs/dbraw/zinc/13/91/80/991139180.db2.gz ZIPRUQGRIZWSGG-SECBINFHSA-N 1 2 223.345 1.934 20 0 BDADLO CSCC[C@@H](C)[N@H+]1Cc2cncnc2C1 ZINC001258213855 991139193 /nfs/dbraw/zinc/13/91/93/991139193.db2.gz ZIPRUQGRIZWSGG-SECBINFHSA-N 1 2 223.345 1.934 20 0 BDADLO COc1cccnc1C[NH2+]Cc1cccnc1N ZINC001308821366 991158523 /nfs/dbraw/zinc/15/85/23/991158523.db2.gz WQUYQFVSQQIXTR-UHFFFAOYSA-N 1 2 244.298 1.357 20 0 BDADLO CC1(C)CCC[C@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258284766 991222807 /nfs/dbraw/zinc/22/28/07/991222807.db2.gz HAPYANLFXJBVFM-JTQLQIEISA-N 1 2 215.312 1.971 20 0 BDADLO Nc1ncnc(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139436882 991242353 /nfs/dbraw/zinc/24/23/53/991242353.db2.gz KAARUQJYQQNLAR-KNVOCYPGSA-N 1 2 224.695 1.164 20 0 BDADLO Nc1ncnc(Cl)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139436882 991242364 /nfs/dbraw/zinc/24/23/64/991242364.db2.gz KAARUQJYQQNLAR-KNVOCYPGSA-N 1 2 224.695 1.164 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(Cl)ccn2)CC[C@@H]1F ZINC001139559733 991267853 /nfs/dbraw/zinc/26/78/53/991267853.db2.gz OFTIAYDWHRJGLN-WDEREUQCSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(Cl)ccn2)CC[C@@H]1F ZINC001139559733 991267861 /nfs/dbraw/zinc/26/78/61/991267861.db2.gz OFTIAYDWHRJGLN-WDEREUQCSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1cnc(Cl)c(C[NH+]2CC(CO)C2)c1 ZINC001139591350 991280132 /nfs/dbraw/zinc/28/01/32/991280132.db2.gz QQKWSAZELVMQPV-UHFFFAOYSA-N 1 2 226.707 1.468 20 0 BDADLO COC[C@]1(C)CC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001559855175 991282491 /nfs/dbraw/zinc/28/24/91/991282491.db2.gz STLMIMZYJVOXBL-GXSJLCMTSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@]1(C)CC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001559855175 991282501 /nfs/dbraw/zinc/28/25/01/991282501.db2.gz STLMIMZYJVOXBL-GXSJLCMTSA-N 1 2 241.360 1.958 20 0 BDADLO CC[NH+](CC)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139633505 991306006 /nfs/dbraw/zinc/30/60/06/991306006.db2.gz YBWTYBSYBFHCRC-UHFFFAOYSA-N 1 2 242.344 1.327 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC001559900047 991310065 /nfs/dbraw/zinc/31/00/65/991310065.db2.gz WQHNIKZIYOLGON-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO c1c(C[NH+]2CC3(CCC3)C2)nc2cnccn12 ZINC001139695915 991325071 /nfs/dbraw/zinc/32/50/71/991325071.db2.gz PSMXATKJDDMFKB-UHFFFAOYSA-N 1 2 228.299 1.715 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc2cccnc2c1 ZINC001139737873 991350924 /nfs/dbraw/zinc/35/09/24/991350924.db2.gz BUGKNQKVDOOERF-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc2cccnc2c1 ZINC001139737873 991350928 /nfs/dbraw/zinc/35/09/28/991350928.db2.gz BUGKNQKVDOOERF-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO COc1ccc(C[N@H+](C)CC2=NOCC2)cn1 ZINC001559991327 991354159 /nfs/dbraw/zinc/35/41/59/991354159.db2.gz PZIXRKJUFJNOCP-UHFFFAOYSA-N 1 2 235.287 1.298 20 0 BDADLO COc1ccc(C[N@@H+](C)CC2=NOCC2)cn1 ZINC001559991327 991354165 /nfs/dbraw/zinc/35/41/65/991354165.db2.gz PZIXRKJUFJNOCP-UHFFFAOYSA-N 1 2 235.287 1.298 20 0 BDADLO CNc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cn1 ZINC001341687136 991374733 /nfs/dbraw/zinc/37/47/33/991374733.db2.gz QLIFZKCKXHCEBT-SSDOTTSWSA-N 1 2 244.245 1.044 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1csnc1OC ZINC001560173518 991404298 /nfs/dbraw/zinc/40/42/98/991404298.db2.gz JFGVMUXKKSADMN-MRVPVSSYSA-N 1 2 230.333 1.618 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1csnc1OC ZINC001560173518 991404308 /nfs/dbraw/zinc/40/43/08/991404308.db2.gz JFGVMUXKKSADMN-MRVPVSSYSA-N 1 2 230.333 1.618 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC(=O)CC2)cn1 ZINC001139930874 991423329 /nfs/dbraw/zinc/42/33/29/991423329.db2.gz GVPACOGSTCKIQC-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC(=O)CC2)cn1 ZINC001139930874 991423337 /nfs/dbraw/zinc/42/33/37/991423337.db2.gz GVPACOGSTCKIQC-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1C ZINC001139934086 991427761 /nfs/dbraw/zinc/42/77/61/991427761.db2.gz CIAZXDAFWWZPOF-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1C ZINC001139934086 991427767 /nfs/dbraw/zinc/42/77/67/991427767.db2.gz CIAZXDAFWWZPOF-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1cccnn1 ZINC001139968400 991432396 /nfs/dbraw/zinc/43/23/96/991432396.db2.gz KRIRBVSNUVIDHX-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1cccnn1 ZINC001139968400 991432399 /nfs/dbraw/zinc/43/23/99/991432399.db2.gz KRIRBVSNUVIDHX-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO Cc1ncc(C[NH2+]Cc2nnc3n2CCC3)s1 ZINC001560258366 991444857 /nfs/dbraw/zinc/44/48/57/991444857.db2.gz GEEXVJIMOWVKAZ-UHFFFAOYSA-N 1 2 249.343 1.279 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnnc2)[C@H](C)CO1 ZINC001139984829 991460135 /nfs/dbraw/zinc/46/01/35/991460135.db2.gz BQWWKTOCYCUWNI-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnnc2)[C@H](C)CO1 ZINC001139984829 991460142 /nfs/dbraw/zinc/46/01/42/991460142.db2.gz BQWWKTOCYCUWNI-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH+]1CC2(C1)CCCO2 ZINC001258492699 991463316 /nfs/dbraw/zinc/46/33/16/991463316.db2.gz UEGLRFFFOWKLLX-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)CC[C@@H](C)[N@H+](C)CC(=O)OCC ZINC001258490685 991463773 /nfs/dbraw/zinc/46/37/73/991463773.db2.gz FINWVWYXHOGZTO-SNVBAGLBSA-N 1 2 245.319 1.213 20 0 BDADLO CCOC(=O)CC[C@@H](C)[N@@H+](C)CC(=O)OCC ZINC001258490685 991463787 /nfs/dbraw/zinc/46/37/87/991463787.db2.gz FINWVWYXHOGZTO-SNVBAGLBSA-N 1 2 245.319 1.213 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139986640 991464096 /nfs/dbraw/zinc/46/40/96/991464096.db2.gz BFRRQUWZTZFNEM-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139986640 991464101 /nfs/dbraw/zinc/46/41/01/991464101.db2.gz BFRRQUWZTZFNEM-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2ccccc2cn1 ZINC001139995462 991473347 /nfs/dbraw/zinc/47/33/47/991473347.db2.gz JFHYDBBMUQHKCD-UHFFFAOYSA-N 1 2 243.310 1.413 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2ccccc2cn1 ZINC001139995462 991473354 /nfs/dbraw/zinc/47/33/54/991473354.db2.gz JFHYDBBMUQHKCD-UHFFFAOYSA-N 1 2 243.310 1.413 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cn(C)nc1C ZINC001560471420 991483180 /nfs/dbraw/zinc/48/31/80/991483180.db2.gz OOPQSXMXFOYNNZ-LLVKDONJSA-N 1 2 247.346 1.796 20 0 BDADLO Nc1nccnc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140016080 991489634 /nfs/dbraw/zinc/48/96/34/991489634.db2.gz YCFPUYIZQPSNLU-SSDOTTSWSA-N 1 2 246.236 1.443 20 0 BDADLO Nc1nccnc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140016080 991489642 /nfs/dbraw/zinc/48/96/42/991489642.db2.gz YCFPUYIZQPSNLU-SSDOTTSWSA-N 1 2 246.236 1.443 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H](C)O ZINC001258593630 991491605 /nfs/dbraw/zinc/49/16/05/991491605.db2.gz YISMUVSSMMRABH-UTLUCORTSA-N 1 2 229.320 1.077 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(O)cc2Cl)C1 ZINC001140081462 991518316 /nfs/dbraw/zinc/51/83/16/991518316.db2.gz QTAUFSVMRPFANW-UHFFFAOYSA-N 1 2 241.718 1.860 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccncn1 ZINC001140348082 991617435 /nfs/dbraw/zinc/61/74/35/991617435.db2.gz JFWKMTKIXAUBDZ-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccncn1 ZINC001140348082 991617438 /nfs/dbraw/zinc/61/74/38/991617438.db2.gz JFWKMTKIXAUBDZ-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccncn1 ZINC001140348081 991618289 /nfs/dbraw/zinc/61/82/89/991618289.db2.gz JFWKMTKIXAUBDZ-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1ccncn1 ZINC001140348081 991618297 /nfs/dbraw/zinc/61/82/97/991618297.db2.gz JFWKMTKIXAUBDZ-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NC1C[NH+](CC)C1 ZINC001318073557 991618599 /nfs/dbraw/zinc/61/85/99/991618599.db2.gz HIYYYNWDTIYPJY-VHSXEESVSA-N 1 2 212.337 1.489 20 0 BDADLO c1cc(C[NH+]2CC3(CSC3)C2)ncn1 ZINC001140350166 991623827 /nfs/dbraw/zinc/62/38/27/991623827.db2.gz YZKZIMPRKWVLKK-UHFFFAOYSA-N 1 2 207.302 1.025 20 0 BDADLO CCn1c[nH+]cc1CN[C@@H](C)c1noc(C)n1 ZINC001560862043 991628567 /nfs/dbraw/zinc/62/85/67/991628567.db2.gz FEWPDWOKNHMXCQ-QMMMGPOBSA-N 1 2 235.291 1.445 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318491091 991664265 /nfs/dbraw/zinc/66/42/65/991664265.db2.gz NVYHFOIAVIDDNK-MNOVXSKESA-N 1 2 221.304 1.845 20 0 BDADLO CCOCCN(CC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318586676 991683426 /nfs/dbraw/zinc/68/34/26/991683426.db2.gz MFLHLEMJRSZDDR-LLVKDONJSA-N 1 2 239.319 1.329 20 0 BDADLO CCn1ccc(C[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC001561016218 991688366 /nfs/dbraw/zinc/68/83/66/991688366.db2.gz QSFITFOYGVSLBB-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccc(C[N@H+]2CCO[C@@H](C)CC2)n1 ZINC001561016218 991688374 /nfs/dbraw/zinc/68/83/74/991688374.db2.gz QSFITFOYGVSLBB-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCCC[C@H](CCC)[NH2+][C@H](CO)C(=O)OC ZINC001258753126 991698253 /nfs/dbraw/zinc/69/82/53/991698253.db2.gz SDWWHDGOOOCPRG-WDEREUQCSA-N 1 2 231.336 1.469 20 0 BDADLO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001258778997 991746497 /nfs/dbraw/zinc/74/64/97/991746497.db2.gz PRTISZBLNCXOFD-GMTAPVOTSA-N 1 2 231.336 1.325 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[N@@H+](CCF)CC1 ZINC001565503597 991790116 /nfs/dbraw/zinc/79/01/16/991790116.db2.gz VEWQMHOYOQFPHV-UHFFFAOYSA-N 1 2 239.294 1.132 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[N@H+](CCF)CC1 ZINC001565503597 991790125 /nfs/dbraw/zinc/79/01/25/991790125.db2.gz VEWQMHOYOQFPHV-UHFFFAOYSA-N 1 2 239.294 1.132 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258809408 991815436 /nfs/dbraw/zinc/81/54/36/991815436.db2.gz ZFTLLKXBJSPXLZ-AXFHLTTASA-N 1 2 229.320 1.079 20 0 BDADLO C[C@@H](C(=O)N1CCOC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC001319570379 991896980 /nfs/dbraw/zinc/89/69/80/991896980.db2.gz STKQDSSVDSPYHK-CMPLNLGQSA-N 1 2 249.314 1.082 20 0 BDADLO O=S(=O)(Nc1c[nH+]c2ccccn12)C1CC1 ZINC001259270514 991925871 /nfs/dbraw/zinc/92/58/71/991925871.db2.gz VOCDJQUWOQJOSG-UHFFFAOYSA-N 1 2 237.284 1.238 20 0 BDADLO O=S(=O)(Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC001259271750 991930484 /nfs/dbraw/zinc/93/04/84/991930484.db2.gz RLXRCKUESDSFKP-UHFFFAOYSA-N 1 2 237.284 1.238 20 0 BDADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccncc1 ZINC001319932470 992033018 /nfs/dbraw/zinc/03/30/18/992033018.db2.gz PHTVDPWTUYVLEE-JTQLQIEISA-N 1 2 243.314 1.470 20 0 BDADLO C[C@H](C(=O)N1CC2CCC1CC2)n1cc[nH+]c1 ZINC001320011152 992072789 /nfs/dbraw/zinc/07/27/89/992072789.db2.gz QJZCWZSZFBFEPY-VOMCLLRMSA-N 1 2 233.315 1.845 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001567781919 992084870 /nfs/dbraw/zinc/08/48/70/992084870.db2.gz MNUOZYPENRQPBK-UHFFFAOYSA-N 1 2 248.326 1.137 20 0 BDADLO CC(=O)N[C@@H](C)CC[NH2+]CC(F)(F)C(F)F ZINC001568595052 992193196 /nfs/dbraw/zinc/19/31/96/992193196.db2.gz HMWMXOAJAYUDEJ-LURJTMIESA-N 1 2 244.232 1.391 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC001261214076 992198078 /nfs/dbraw/zinc/19/80/78/992198078.db2.gz JIICVCRKIDEHHS-LLVKDONJSA-N 1 2 237.303 1.082 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC001261214076 992198089 /nfs/dbraw/zinc/19/80/89/992198089.db2.gz JIICVCRKIDEHHS-LLVKDONJSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H]1OCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001261569982 992388607 /nfs/dbraw/zinc/38/86/07/992388607.db2.gz ACYWCHAWQDEBTF-SFYZADRCSA-N 1 2 211.265 1.024 20 0 BDADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001261637939 992431118 /nfs/dbraw/zinc/43/11/18/992431118.db2.gz KLGNKNJJVAUAOJ-ZJUUUORDSA-N 1 2 240.376 1.911 20 0 BDADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001261637939 992431122 /nfs/dbraw/zinc/43/11/22/992431122.db2.gz KLGNKNJJVAUAOJ-ZJUUUORDSA-N 1 2 240.376 1.911 20 0 BDADLO Cc1ncc(CNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001261670678 992456022 /nfs/dbraw/zinc/45/60/22/992456022.db2.gz SYSWBPNBQKMAEN-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO O=C(Cc1ccncc1)N[C@@H]1CCn2c[nH+]cc21 ZINC001261783668 992508531 /nfs/dbraw/zinc/50/85/31/992508531.db2.gz UHGDUTSCNSEKJE-LLVKDONJSA-N 1 2 242.282 1.082 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C)c1noc(C)n1)OC ZINC001262010557 992595590 /nfs/dbraw/zinc/59/55/90/992595590.db2.gz JGZXFJDTYWGJAC-WCBMZHEXSA-N 1 2 227.308 1.844 20 0 BDADLO CO[C@H]1C[NH2+][C@@H](C(=O)Oc2ccc(C)c(C)c2)C1 ZINC001574000656 992794913 /nfs/dbraw/zinc/79/49/13/992794913.db2.gz MLPAMFJGEWOMDI-CHWSQXEVSA-N 1 2 249.310 1.586 20 0 BDADLO FC(F)(F)CCC[NH2+]Cc1cn[nH]n1 ZINC001262373550 992867480 /nfs/dbraw/zinc/86/74/80/992867480.db2.gz CSNADZZWQQRHCU-UHFFFAOYSA-N 1 2 208.187 1.237 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1(C)CC1 ZINC001262651907 993002310 /nfs/dbraw/zinc/00/23/10/993002310.db2.gz SCLWOFSOTYBCJU-IVZWLZJFSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1(C)CC1 ZINC001262651907 993002315 /nfs/dbraw/zinc/00/23/15/993002315.db2.gz SCLWOFSOTYBCJU-IVZWLZJFSA-N 1 2 233.315 1.818 20 0 BDADLO Cc1cc(F)cc(N2C[C@H]3C[C@@]3(CO)C2)[nH+]1 ZINC001262692222 993034063 /nfs/dbraw/zinc/03/40/63/993034063.db2.gz CDMQPTGAYQCPOR-SKDRFNHKSA-N 1 2 222.263 1.348 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)n1cccn1 ZINC001262805066 993068400 /nfs/dbraw/zinc/06/84/00/993068400.db2.gz CIXDKDPRQAAUIA-NSHDSACASA-N 1 2 244.298 1.517 20 0 BDADLO CN(C)c1cc(COC(=O)[C@H]2C[C@@H]2F)cc[nH+]1 ZINC001263446839 993318049 /nfs/dbraw/zinc/31/80/49/993318049.db2.gz DEQDCDVWQAYDAU-UWVGGRQHSA-N 1 2 238.262 1.549 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1C[C@@H]1C1CC1 ZINC001263510497 993353948 /nfs/dbraw/zinc/35/39/48/993353948.db2.gz FLNWTAJMXUMNTR-OLZOCXBDSA-N 1 2 248.326 1.942 20 0 BDADLO CC(C)(COC(=O)C1=COCC1)n1cc[nH+]c1 ZINC001263543953 993375812 /nfs/dbraw/zinc/37/58/12/993375812.db2.gz NKRWVUOXNYFHFA-UHFFFAOYSA-N 1 2 236.271 1.466 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001263755067 993489622 /nfs/dbraw/zinc/48/96/22/993489622.db2.gz DCOGDMFHYUVIQX-QWRGUYRKSA-N 1 2 235.331 1.467 20 0 BDADLO CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1CC1(C)C ZINC001577153906 993514546 /nfs/dbraw/zinc/51/45/46/993514546.db2.gz UEWKDHWYIXOPPX-YIZRAAEISA-N 1 2 248.317 1.910 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001263921707 993607548 /nfs/dbraw/zinc/60/75/48/993607548.db2.gz CQACPCQSWDJQTM-NOOOWODRSA-N 1 2 247.342 1.371 20 0 BDADLO CCN(OC)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001263937933 993618651 /nfs/dbraw/zinc/61/86/51/993618651.db2.gz XGKJRZCMNQJOOV-UHFFFAOYSA-N 1 2 247.298 1.595 20 0 BDADLO C/C(=C\C(=O)NCCc1[nH+]ccn1C)C1CC1 ZINC001263973794 993631640 /nfs/dbraw/zinc/63/16/40/993631640.db2.gz LRDROWRXEUYRSO-MDZDMXLPSA-N 1 2 233.315 1.435 20 0 BDADLO CC/C=C(/C)C(=O)NCCc1[nH+]ccn1C ZINC001263973626 993632528 /nfs/dbraw/zinc/63/25/28/993632528.db2.gz IWLCTDDTKBGRCD-YHYXMXQVSA-N 1 2 221.304 1.435 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC(F)F ZINC001263997182 993644063 /nfs/dbraw/zinc/64/40/63/993644063.db2.gz HUVAQJMIOADPDJ-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO CCC[C@@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000389959139 993772243 /nfs/dbraw/zinc/77/22/43/993772243.db2.gz VIECXGCJXFHRIT-MWLCHTKSSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)C1([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000390648218 993800059 /nfs/dbraw/zinc/80/00/59/993800059.db2.gz OMJSNDDWLSSQDA-RKDXNWHRSA-N 1 2 227.304 1.238 20 0 BDADLO Clc1cnccc1C[NH2+]Cc1cnccn1 ZINC000700464541 993838806 /nfs/dbraw/zinc/83/88/06/993838806.db2.gz NTQBNTGEDYNKSN-UHFFFAOYSA-N 1 2 234.690 1.815 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccnc2)[nH]1 ZINC000392470475 993860285 /nfs/dbraw/zinc/86/02/85/993860285.db2.gz QIZPZIPAVUZEJJ-IUCAKERBSA-N 1 2 231.303 1.920 20 0 BDADLO CC[C@@H]1COCCN1Cc1c[nH+]c(C)[nH]1 ZINC000724783244 994073917 /nfs/dbraw/zinc/07/39/17/994073917.db2.gz YTUDIOSHFXJTAB-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1COCCN1Cc1c[nH]c(C)[nH+]1 ZINC000724783244 994073928 /nfs/dbraw/zinc/07/39/28/994073928.db2.gz YTUDIOSHFXJTAB-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C1(C)CC1 ZINC000724735099 994074059 /nfs/dbraw/zinc/07/40/59/994074059.db2.gz QLNMQJQSEILCJO-RQJHMYQMSA-N 1 2 220.263 1.274 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC001332947118 994408052 /nfs/dbraw/zinc/40/80/52/994408052.db2.gz SYVRNDYOZJMPTC-ZJUUUORDSA-N 1 2 246.318 1.325 20 0 BDADLO CCc1nccc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC001333860300 994533795 /nfs/dbraw/zinc/53/37/95/994533795.db2.gz MEOLDIAFEOMWTG-SNVBAGLBSA-N 1 2 231.303 1.736 20 0 BDADLO CC[C@@H](CC(F)F)C(=O)NCCn1cc[nH+]c1 ZINC001290855205 994565416 /nfs/dbraw/zinc/56/54/16/994565416.db2.gz TVMRACPPFBUKIL-VIFPVBQESA-N 1 2 245.273 1.681 20 0 BDADLO Cn1ccnc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001334386341 994587525 /nfs/dbraw/zinc/58/75/25/994587525.db2.gz ZBPNQDYIPRZBAM-UHFFFAOYSA-N 1 2 249.358 1.669 20 0 BDADLO CC(C)OCc1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC001334643850 994609990 /nfs/dbraw/zinc/60/99/90/994609990.db2.gz LZSNSJAYYPJOFW-VHSXEESVSA-N 1 2 237.303 1.589 20 0 BDADLO CC(C)OCc1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC001334643850 994609996 /nfs/dbraw/zinc/60/99/96/994609996.db2.gz LZSNSJAYYPJOFW-VHSXEESVSA-N 1 2 237.303 1.589 20 0 BDADLO C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(C(=O)[O-])co1 ZINC001593285927 994640206 /nfs/dbraw/zinc/64/02/06/994640206.db2.gz LFDBYVUJQJIBQZ-SECBINFHSA-N 1 2 249.270 1.525 20 0 BDADLO C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001334856960 994648232 /nfs/dbraw/zinc/64/82/32/994648232.db2.gz DASWXTFBPFJEAU-GMTAPVOTSA-N 1 2 249.314 1.117 20 0 BDADLO CC(C)=CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001296358368 994812346 /nfs/dbraw/zinc/81/23/46/994812346.db2.gz JFSQDBOYNXEFFQ-UHFFFAOYSA-N 1 2 221.304 1.733 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)ccn1 ZINC001298201395 994907667 /nfs/dbraw/zinc/90/76/67/994907667.db2.gz UUHOZDPQEXXLGX-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO CN1C[C@H](C[N@@H+]2CCC=C(Cl)C2)OC1=O ZINC001336773604 995100881 /nfs/dbraw/zinc/10/08/81/995100881.db2.gz LBJCOVFOVZECBW-SECBINFHSA-N 1 2 230.695 1.265 20 0 BDADLO CN1C[C@H](C[N@H+]2CCC=C(Cl)C2)OC1=O ZINC001336773604 995100887 /nfs/dbraw/zinc/10/08/87/995100887.db2.gz LBJCOVFOVZECBW-SECBINFHSA-N 1 2 230.695 1.265 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc[nH+]cc2F)n[nH]1 ZINC001337902123 995222058 /nfs/dbraw/zinc/22/20/58/995222058.db2.gz MNXJZCFLTZSCDL-QMMMGPOBSA-N 1 2 234.278 1.717 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1ncc[nH]1)n1cc[nH+]c1 ZINC001306847744 995263059 /nfs/dbraw/zinc/26/30/59/995263059.db2.gz VOKFKBMVAZDQFD-DTWKUNHWSA-N 1 2 233.275 1.045 20 0 BDADLO CCc1cn(Cc2cncc(C(=O)OC)c2)c[nH+]1 ZINC001307397488 995343028 /nfs/dbraw/zinc/34/30/28/995343028.db2.gz QFZSWGKPRKYVHG-UHFFFAOYSA-N 1 2 245.282 1.675 20 0 BDADLO C[C@H](c1csnn1)[NH+]1CCC(CCO)CC1 ZINC001307463181 995370324 /nfs/dbraw/zinc/37/03/24/995370324.db2.gz JUSDWDWBGYYDAW-SECBINFHSA-N 1 2 241.360 1.694 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cnon2)CCO1 ZINC001308168815 995587225 /nfs/dbraw/zinc/58/72/25/995587225.db2.gz OANRSVIXHWGYES-LLVKDONJSA-N 1 2 239.319 1.707 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cnon2)CCO1 ZINC001308168815 995587235 /nfs/dbraw/zinc/58/72/35/995587235.db2.gz OANRSVIXHWGYES-LLVKDONJSA-N 1 2 239.319 1.707 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602102998 349442364 /nfs/dbraw/zinc/44/23/64/349442364.db2.gz NTYFTHGCALGAOM-IWSPIJDZSA-N 1 2 239.344 1.381 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602102998 349442367 /nfs/dbraw/zinc/44/23/67/349442367.db2.gz NTYFTHGCALGAOM-IWSPIJDZSA-N 1 2 239.344 1.381 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cccnc1C ZINC000092399712 398139100 /nfs/dbraw/zinc/13/91/00/398139100.db2.gz MTDPERNZQRRBJS-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cccnc1C ZINC000092399712 398139105 /nfs/dbraw/zinc/13/91/05/398139105.db2.gz MTDPERNZQRRBJS-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000408374220 398142328 /nfs/dbraw/zinc/14/23/28/398142328.db2.gz JVTRREYQBMNLMG-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000408374220 398142333 /nfs/dbraw/zinc/14/23/33/398142333.db2.gz JVTRREYQBMNLMG-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CCC(CC)(CO)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269853713 168326910 /nfs/dbraw/zinc/32/69/10/168326910.db2.gz GSQDWEVPCCZZAE-UHFFFAOYSA-N 1 2 239.319 1.247 20 0 BDADLO CCN(C(=O)NCc1c[nH+]ccc1OC)C1CC1 ZINC000297529108 398145750 /nfs/dbraw/zinc/14/57/50/398145750.db2.gz XXBZACJFAYACKZ-UHFFFAOYSA-N 1 2 249.314 1.784 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000602219401 349479189 /nfs/dbraw/zinc/47/91/89/349479189.db2.gz DJOMLLVMSNLNSW-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000602219400 349479451 /nfs/dbraw/zinc/47/94/51/349479451.db2.gz DJOMLLVMSNLNSW-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)N(CC[NH+]1CCOCC1)CC(F)F ZINC000336688691 187321698 /nfs/dbraw/zinc/32/16/98/187321698.db2.gz YOWDNBBRICNORF-UHFFFAOYSA-N 1 2 236.306 1.294 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000337210359 187323806 /nfs/dbraw/zinc/32/38/06/187323806.db2.gz CKYVUBLZCZFLJT-HSMVNMDESA-N 1 2 247.404 1.500 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000337210359 187323808 /nfs/dbraw/zinc/32/38/08/187323808.db2.gz CKYVUBLZCZFLJT-HSMVNMDESA-N 1 2 247.404 1.500 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)C(F)F ZINC000389925187 398149501 /nfs/dbraw/zinc/14/95/01/398149501.db2.gz VLJRKINYAOGVGD-ZCFIWIBFSA-N 1 2 239.216 1.891 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)C(F)F)cn1 ZINC000389950614 398151031 /nfs/dbraw/zinc/15/10/31/398151031.db2.gz SPGMTRRNKUMYDN-ZETCQYMHSA-N 1 2 203.236 1.646 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)no1 ZINC000044724850 178026013 /nfs/dbraw/zinc/02/60/13/178026013.db2.gz OAUQSCZLCRDFNR-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnccn2)on1 ZINC000054766723 178027213 /nfs/dbraw/zinc/02/72/13/178027213.db2.gz HOGHFAYJYRFKBJ-UHFFFAOYSA-N 1 2 204.233 1.063 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc(Cl)n2C)on1 ZINC000044991578 178028873 /nfs/dbraw/zinc/02/88/73/178028873.db2.gz UODYVOITENDABJ-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1CCOCC1 ZINC000109891091 136215462 /nfs/dbraw/zinc/21/54/62/136215462.db2.gz NCSXTDGRMVLQDI-UHFFFAOYSA-N 1 2 222.244 1.152 20 0 BDADLO CCC(CC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000373303822 168336481 /nfs/dbraw/zinc/33/64/81/168336481.db2.gz QKPUDMOTVFWQEK-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn[nH]c2)nn1C ZINC000336776673 178037844 /nfs/dbraw/zinc/03/78/44/178037844.db2.gz GHXLMCIWPAZLNX-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn[nH]c2)no1 ZINC000336678715 178037977 /nfs/dbraw/zinc/03/79/77/178037977.db2.gz IFNKNHZOGWQXJF-MRVPVSSYSA-N 1 2 206.249 1.557 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccccn2)nn1C ZINC000340779250 178038468 /nfs/dbraw/zinc/03/84/68/178038468.db2.gz QVKAMBXLKUALMR-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000558639486 398182178 /nfs/dbraw/zinc/18/21/78/398182178.db2.gz UJSWEBYFCMNJIU-LLVKDONJSA-N 1 2 237.347 2.000 20 0 BDADLO CCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882093 398162025 /nfs/dbraw/zinc/16/20/25/398162025.db2.gz KCYUNRVWCSEYOE-NSHDSACASA-N 1 2 209.293 1.203 20 0 BDADLO CCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882093 398162029 /nfs/dbraw/zinc/16/20/29/398162029.db2.gz KCYUNRVWCSEYOE-NSHDSACASA-N 1 2 209.293 1.203 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCC(=O)OC)[C@H](C)CC ZINC000411483437 398182804 /nfs/dbraw/zinc/18/28/04/398182804.db2.gz VKNOELKOWDJOJG-MWLCHTKSSA-N 1 2 245.319 1.117 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1cnn[nH]1)CC2 ZINC000649376188 398187907 /nfs/dbraw/zinc/18/79/07/398187907.db2.gz HSJNTRAQDJTGGI-UHFFFAOYSA-N 1 2 244.298 1.111 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1cnn[nH]1)CC2 ZINC000649376188 398187911 /nfs/dbraw/zinc/18/79/11/398187911.db2.gz HSJNTRAQDJTGGI-UHFFFAOYSA-N 1 2 244.298 1.111 20 0 BDADLO CC(C)OCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649922714 398188798 /nfs/dbraw/zinc/18/87/98/398188798.db2.gz GEYJNCMZACRXDI-NSHDSACASA-N 1 2 239.319 1.375 20 0 BDADLO CCN(CC)C(=O)CCCn1cc[nH+]c1 ZINC000199440748 398191923 /nfs/dbraw/zinc/19/19/23/398191923.db2.gz SADGFGSWUABUCJ-UHFFFAOYSA-N 1 2 209.293 1.532 20 0 BDADLO Cc1cc(N(C)CCO)nc(C2CC2)[nH+]1 ZINC000265365553 178099107 /nfs/dbraw/zinc/09/91/07/178099107.db2.gz NEODYZWNQGTUJK-UHFFFAOYSA-N 1 2 207.277 1.091 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCSC2)nc[nH+]1 ZINC000301855778 178099951 /nfs/dbraw/zinc/09/99/51/178099951.db2.gz RBYIGNWSWZXKDP-SECBINFHSA-N 1 2 209.318 1.727 20 0 BDADLO Cc1cc(N(C)Cc2nccs2)nc[nH+]1 ZINC000301431594 178100981 /nfs/dbraw/zinc/10/09/81/178100981.db2.gz JZPKLLZJFCEOFM-UHFFFAOYSA-N 1 2 220.301 1.878 20 0 BDADLO CCC[C@H](C[NH2+]CC(F)(F)CO)OC ZINC000386077735 398196011 /nfs/dbraw/zinc/19/60/11/398196011.db2.gz GIJWBPLKPRZGQM-MRVPVSSYSA-N 1 2 211.252 1.019 20 0 BDADLO Cc1cc(N)nc(S[C@H](C)[C@H](C)O)[nH+]1 ZINC000131985089 178109406 /nfs/dbraw/zinc/10/94/06/178109406.db2.gz GZILAOYRSWGGSI-NKWVEPMBSA-N 1 2 213.306 1.229 20 0 BDADLO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000120907130 398201362 /nfs/dbraw/zinc/20/13/62/398201362.db2.gz PDLKGYVKNBNNJD-ZJUUUORDSA-N 1 2 238.335 1.499 20 0 BDADLO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000120907130 398201365 /nfs/dbraw/zinc/20/13/65/398201365.db2.gz PDLKGYVKNBNNJD-ZJUUUORDSA-N 1 2 238.335 1.499 20 0 BDADLO Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)nc[nH+]1 ZINC000301414344 178122069 /nfs/dbraw/zinc/12/20/69/178122069.db2.gz ADVZEROFBILOFA-AOOOYVTPSA-N 1 2 203.289 1.877 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccoc2)nn1 ZINC000338239560 187326679 /nfs/dbraw/zinc/32/66/79/187326679.db2.gz POEVPAKSFAMBRS-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccoc2)nn1 ZINC000338239560 187326681 /nfs/dbraw/zinc/32/66/81/187326681.db2.gz POEVPAKSFAMBRS-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO Cc1cc(NC(=O)NCC2=CCCOC2)cc[nH+]1 ZINC000287288391 178139578 /nfs/dbraw/zinc/13/95/78/178139578.db2.gz ZKTMKLXFQXMQFU-UHFFFAOYSA-N 1 2 247.298 1.858 20 0 BDADLO Cc1cc(NC(=O)C(F)(F)F)cc[nH+]1 ZINC000075284826 178125790 /nfs/dbraw/zinc/12/57/90/178125790.db2.gz ZVVKBSQHKXBSJF-UHFFFAOYSA-N 1 2 204.151 1.891 20 0 BDADLO Cc1cc(NC(=O)CCn2cccn2)cc[nH+]1 ZINC000112298430 178128140 /nfs/dbraw/zinc/12/81/40/178128140.db2.gz SVBICOZKRMXCHE-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccon1 ZINC000336752591 398204807 /nfs/dbraw/zinc/20/48/07/398204807.db2.gz VVNJJQLFVQKLPX-POYBYMJQSA-N 1 2 238.209 1.639 20 0 BDADLO COC(=O)[C@@H](C)N(C)c1cc[nH+]c(C)c1 ZINC000261129379 398205023 /nfs/dbraw/zinc/20/50/23/398205023.db2.gz JTQJORJGGJAJJJ-SECBINFHSA-N 1 2 208.261 1.388 20 0 BDADLO CCc1nc(C[NH+]2CCC(CF)CC2)no1 ZINC000451386648 398205034 /nfs/dbraw/zinc/20/50/34/398205034.db2.gz ACOZDIHGXLIPJR-UHFFFAOYSA-N 1 2 227.283 1.814 20 0 BDADLO Cc1cc(NC(=O)COC(C)C)cc[nH+]1 ZINC000068014648 178132921 /nfs/dbraw/zinc/13/29/21/178132921.db2.gz JZAJQDYSZYJQKF-UHFFFAOYSA-N 1 2 208.261 1.754 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H]2CO)cc[nH+]1 ZINC000190170749 178137387 /nfs/dbraw/zinc/13/73/87/178137387.db2.gz HJHMJMBJPCLYAY-BXKDBHETSA-N 1 2 249.314 1.625 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576290714 365554929 /nfs/dbraw/zinc/55/49/29/365554929.db2.gz NWGSIXRVEOZGCB-GWCFXTLKSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000277515209 178142127 /nfs/dbraw/zinc/14/21/27/178142127.db2.gz QKNBIMKUASBFQT-BXKDBHETSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)on1 ZINC000293403654 178146402 /nfs/dbraw/zinc/14/64/02/178146402.db2.gz LTHNQHBOQCOFDQ-HGNGGELXSA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)on1 ZINC000293403654 178146403 /nfs/dbraw/zinc/14/64/03/178146403.db2.gz LTHNQHBOQCOFDQ-HGNGGELXSA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CCCO2)cc[nH+]1 ZINC000154367894 178149458 /nfs/dbraw/zinc/14/94/58/178149458.db2.gz OVJFCUVFWZWKLL-LBPRGKRZSA-N 1 2 220.272 1.898 20 0 BDADLO Cc1cc(NC(=O)c2cn[nH]n2)cn2cc[nH+]c12 ZINC000355399340 178151231 /nfs/dbraw/zinc/15/12/31/178151231.db2.gz DWLIJCHJKBYGTC-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO Cc1cc(NCCOC[C@@H]2CCCO2)nc[nH+]1 ZINC000301296693 178160877 /nfs/dbraw/zinc/16/08/77/178160877.db2.gz PJHOPMDJHLAXIG-NSHDSACASA-N 1 2 237.303 1.393 20 0 BDADLO Cc1cc(NCCNC(=O)c2ccco2)nc[nH+]1 ZINC000301257177 178161350 /nfs/dbraw/zinc/16/13/50/178161350.db2.gz RDLUZWVOJHICIK-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO Cc1cc(NCCNc2cc[nH+]c(C)n2)n(C)n1 ZINC000280980749 178161908 /nfs/dbraw/zinc/16/19/08/178161908.db2.gz NGOJCSDPZLJTKX-UHFFFAOYSA-N 1 2 246.318 1.351 20 0 BDADLO Cc1cc(NCC[S@](=O)C(C)(C)C)nc[nH+]1 ZINC000301311203 178163838 /nfs/dbraw/zinc/16/38/38/178163838.db2.gz GCFXRHOWVXTFQS-INIZCTEOSA-N 1 2 241.360 1.744 20 0 BDADLO CN1CC[N@H+](Cc2ccc(C3CC3)cc2)CC1=O ZINC000576444367 365597110 /nfs/dbraw/zinc/59/71/10/365597110.db2.gz LIXNEYQVKNFAGE-UHFFFAOYSA-N 1 2 244.338 1.838 20 0 BDADLO CN1CC[N@@H+](Cc2ccc(C3CC3)cc2)CC1=O ZINC000576444367 365597115 /nfs/dbraw/zinc/59/71/15/365597115.db2.gz LIXNEYQVKNFAGE-UHFFFAOYSA-N 1 2 244.338 1.838 20 0 BDADLO Cc1cc(NCc2ncnn2C)nc(C(C)C)[nH+]1 ZINC000301464311 178176638 /nfs/dbraw/zinc/17/66/38/178176638.db2.gz WHXLKYAMJDXNIC-UHFFFAOYSA-N 1 2 246.318 1.649 20 0 BDADLO Cc1c[nH+]c(CNc2cc(C)n(C)n2)n1C ZINC000309875356 178177031 /nfs/dbraw/zinc/17/70/31/178177031.db2.gz SJBLTWNFDJKLNF-UHFFFAOYSA-N 1 2 219.292 1.383 20 0 BDADLO Cc1cc(N[C@@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000127231277 178178163 /nfs/dbraw/zinc/17/81/63/178178163.db2.gz NBAXWXQTJMRHTQ-UWVGGRQHSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H]2Cc2ccccc2)[nH]1 ZINC000428217654 398222456 /nfs/dbraw/zinc/22/24/56/398222456.db2.gz HKUFDLFIAOYRRR-ZDUSSCGKSA-N 1 2 242.326 1.930 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H]2Cc2ccccc2)[nH]1 ZINC000428217654 398222459 /nfs/dbraw/zinc/22/24/59/398222459.db2.gz HKUFDLFIAOYRRR-ZDUSSCGKSA-N 1 2 242.326 1.930 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000263953107 398223346 /nfs/dbraw/zinc/22/33/46/398223346.db2.gz YKJPKNCUVOEQJW-MWLCHTKSSA-N 1 2 248.330 1.355 20 0 BDADLO CCC[C@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000264059648 398224056 /nfs/dbraw/zinc/22/40/56/398224056.db2.gz AUTDUDLESGSHBR-JTQLQIEISA-N 1 2 238.335 1.750 20 0 BDADLO Cc1cc(N[C@H]2CCN(C(C)C)C2=O)nc[nH+]1 ZINC000301298581 178190058 /nfs/dbraw/zinc/19/00/58/178190058.db2.gz QAYFNUUOHZEYQK-JTQLQIEISA-N 1 2 234.303 1.206 20 0 BDADLO CC(C)COC[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000265776672 187332242 /nfs/dbraw/zinc/33/22/42/187332242.db2.gz DIJWHWKHTVRNNE-GFCCVEGCSA-N 1 2 242.319 1.140 20 0 BDADLO CC(C)COC[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000265776672 187332243 /nfs/dbraw/zinc/33/22/43/187332243.db2.gz DIJWHWKHTVRNNE-GFCCVEGCSA-N 1 2 242.319 1.140 20 0 BDADLO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000421382456 192325512 /nfs/dbraw/zinc/32/55/12/192325512.db2.gz XQNRNXPQYPRQIT-WCBMZHEXSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000421382456 192325513 /nfs/dbraw/zinc/32/55/13/192325513.db2.gz XQNRNXPQYPRQIT-WCBMZHEXSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H]1C[N@H+](CCCOC(C)(C)C)CC(=O)N1 ZINC000650051491 398227571 /nfs/dbraw/zinc/22/75/71/398227571.db2.gz QAYXVITYFNVILE-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO C[C@H]1C[N@@H+](CCCOC(C)(C)C)CC(=O)N1 ZINC000650051491 398227574 /nfs/dbraw/zinc/22/75/74/398227574.db2.gz QAYXVITYFNVILE-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCC(CC)C[N@@H+]1CCOC[C@H]1C(=O)OC ZINC000162893940 168352102 /nfs/dbraw/zinc/35/21/02/168352102.db2.gz MKMYIPAXFJZPLK-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CCC(CC)C[N@H+]1CCOC[C@H]1C(=O)OC ZINC000162893940 168352104 /nfs/dbraw/zinc/35/21/04/168352104.db2.gz MKMYIPAXFJZPLK-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)CCCCO)nn1C ZINC000421394745 192329298 /nfs/dbraw/zinc/32/92/98/192329298.db2.gz PSPUKONADKJTQJ-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)CCCCO)nn1C ZINC000421394745 192329300 /nfs/dbraw/zinc/32/93/00/192329300.db2.gz PSPUKONADKJTQJ-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)c2[nH+]ccn21 ZINC000650075932 398232502 /nfs/dbraw/zinc/23/25/02/398232502.db2.gz CDRMFYRCXLBWMB-GMTAPVOTSA-N 1 2 249.314 1.574 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CC(=O)NC(C)C)no1 ZINC000281946089 178221910 /nfs/dbraw/zinc/22/19/10/178221910.db2.gz BTSUDIGVXOSUNQ-SECBINFHSA-N 1 2 225.292 1.158 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@H](F)C1)n1cc[nH+]c1 ZINC000650064634 398230400 /nfs/dbraw/zinc/23/04/00/398230400.db2.gz IWCWWGDOXXKMJB-UWVGGRQHSA-N 1 2 225.267 1.405 20 0 BDADLO CCCCCOC1C[NH+](C[C@@H](O)COCC)C1 ZINC000517215052 259305149 /nfs/dbraw/zinc/30/51/49/259305149.db2.gz AOECLAXWSIJDSU-GFCCVEGCSA-N 1 2 245.363 1.275 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)no1 ZINC000285295119 178228709 /nfs/dbraw/zinc/22/87/09/178228709.db2.gz RUDCFXWCMGIYHG-BDAKNGLRSA-N 1 2 225.292 1.110 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nncn2C)c(C)o1 ZINC000038007710 178229700 /nfs/dbraw/zinc/22/97/00/178229700.db2.gz YUCBLOVCPLPNMT-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2ncc[nH]2)ccn1 ZINC000278952293 538935132 /nfs/dbraw/zinc/93/51/32/538935132.db2.gz NDENRVXIYLTPJG-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO Cc1cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)no1 ZINC000282874382 178248367 /nfs/dbraw/zinc/24/83/67/178248367.db2.gz VJLKVRBEWGVHLH-POYBYMJQSA-N 1 2 238.209 1.557 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)no1 ZINC000285462749 178252297 /nfs/dbraw/zinc/25/22/97/178252297.db2.gz ZZAFUGYDLORLPX-IUCAKERBSA-N 1 2 243.282 1.108 20 0 BDADLO CCN(CC(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000281712117 538939755 /nfs/dbraw/zinc/93/97/55/538939755.db2.gz WOJQZCNYEXXSMI-UHFFFAOYSA-N 1 2 231.246 1.456 20 0 BDADLO CCN(CC(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000281712117 538939756 /nfs/dbraw/zinc/93/97/56/538939756.db2.gz WOJQZCNYEXXSMI-UHFFFAOYSA-N 1 2 231.246 1.456 20 0 BDADLO C[C@H](CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000157343314 398237223 /nfs/dbraw/zinc/23/72/23/398237223.db2.gz YSQQIYJVVRCHTR-MRVPVSSYSA-N 1 2 205.261 1.033 20 0 BDADLO CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280801583 538938092 /nfs/dbraw/zinc/93/80/92/538938092.db2.gz PKQJPTALIUFLLP-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280801583 538938093 /nfs/dbraw/zinc/93/80/93/538938093.db2.gz PKQJPTALIUFLLP-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)C(C)(C)CO ZINC000166012829 538938359 /nfs/dbraw/zinc/93/83/59/538938359.db2.gz FNQBXPMBFSYTJL-UHFFFAOYSA-N 1 2 240.351 1.137 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)C(C)(C)CO ZINC000166012829 538938360 /nfs/dbraw/zinc/93/83/60/538938360.db2.gz FNQBXPMBFSYTJL-UHFFFAOYSA-N 1 2 240.351 1.137 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCOC2(CCC2)C1 ZINC000281052971 538938524 /nfs/dbraw/zinc/93/85/24/538938524.db2.gz BTUWXDJGQWKQBV-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCOC2(CCC2)C1 ZINC000281052971 538938526 /nfs/dbraw/zinc/93/85/26/538938526.db2.gz BTUWXDJGQWKQBV-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281617728 538938914 /nfs/dbraw/zinc/93/89/14/538938914.db2.gz PBNHCYWZZUNGDA-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281617728 538938915 /nfs/dbraw/zinc/93/89/15/538938915.db2.gz PBNHCYWZZUNGDA-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO COC1(c2nc(Cc3c[nH+]cn3C)no2)CC1 ZINC000351360876 398240108 /nfs/dbraw/zinc/24/01/08/398240108.db2.gz HLMAYTGBDWHUNS-UHFFFAOYSA-N 1 2 234.259 1.029 20 0 BDADLO C[NH+](C)Cc1ccc(-c2nnc[nH]2)cc1F ZINC000649438195 398240112 /nfs/dbraw/zinc/24/01/12/398240112.db2.gz YCMKTLZLKGJSAY-UHFFFAOYSA-N 1 2 220.251 1.672 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)n1 ZINC000631235616 361818804 /nfs/dbraw/zinc/81/88/04/361818804.db2.gz XZYGYYZHMHIDFD-SVRRBLITSA-N 1 2 237.225 1.119 20 0 BDADLO c1nnc([C@H]([NH2+]CCC2CC2)c2cccnc2)[nH]1 ZINC000285059768 538940817 /nfs/dbraw/zinc/94/08/17/538940817.db2.gz ITSRAFFYBXMDRE-GFCCVEGCSA-N 1 2 243.314 1.679 20 0 BDADLO O[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1F ZINC000380025416 398243792 /nfs/dbraw/zinc/24/37/92/398243792.db2.gz YGRFOPDRRYDFSY-KCJUWKMLSA-N 1 2 210.252 1.216 20 0 BDADLO Cc1cocc1C(=O)NCCCCn1cc[nH+]c1 ZINC000625564362 343995061 /nfs/dbraw/zinc/99/50/61/343995061.db2.gz ICJJHIKEFLEBBW-UHFFFAOYSA-N 1 2 247.298 1.995 20 0 BDADLO Cn1nccc1-c1cc[nH+]c(N2CCOCC2)c1 ZINC000649442511 398247920 /nfs/dbraw/zinc/24/79/20/398247920.db2.gz RVDCMUNLZUWJTG-UHFFFAOYSA-N 1 2 244.298 1.319 20 0 BDADLO Cn1c[nH+]cc1CNc1ccnc(C2CC2)n1 ZINC000291127210 538947570 /nfs/dbraw/zinc/94/75/70/538947570.db2.gz MVABVHWNSCPICL-UHFFFAOYSA-N 1 2 229.287 1.700 20 0 BDADLO Cc1cc(N[C@H](CO)CCC(C)C)nc[nH+]1 ZINC000624530663 343996640 /nfs/dbraw/zinc/99/66/40/343996640.db2.gz QZXDBCKTJYFXPW-NSHDSACASA-N 1 2 223.320 1.994 20 0 BDADLO CCC[C@@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000291190179 538947179 /nfs/dbraw/zinc/94/71/79/538947179.db2.gz CWQLGTBWXSRTEK-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000291484265 538947992 /nfs/dbraw/zinc/94/79/92/538947992.db2.gz QLVXZCKXJWMOMD-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000291452665 538948138 /nfs/dbraw/zinc/94/81/38/538948138.db2.gz NGMZNPBFVJKVPM-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@H](C)O ZINC000649460320 398262112 /nfs/dbraw/zinc/26/21/12/398262112.db2.gz GSTIFMIUKLVDBR-UWVGGRQHSA-N 1 2 237.347 1.767 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000291503757 538948209 /nfs/dbraw/zinc/94/82/09/538948209.db2.gz SIIZMWUKSVSMDQ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CCc1cccnc1C(=O)NCc1c[nH+]cn1C ZINC000291542539 538948221 /nfs/dbraw/zinc/94/82/21/538948221.db2.gz XTJPGLOBBJMRIT-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cc(C2CC2)no1 ZINC000291479745 538948288 /nfs/dbraw/zinc/94/82/88/538948288.db2.gz PYZFEOYLIAPIDA-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC(C)[C@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000649466885 398267848 /nfs/dbraw/zinc/26/78/48/398267848.db2.gz RPIXUECHXRBOEA-LLVKDONJSA-N 1 2 243.314 1.897 20 0 BDADLO CCOC(=O)C[C@H](C)Nc1nc[nH+]c2c1CCC2 ZINC000259327463 349558796 /nfs/dbraw/zinc/55/87/96/349558796.db2.gz GIHTUGJIXVTPIS-VIFPVBQESA-N 1 2 249.314 1.719 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000034592197 538954537 /nfs/dbraw/zinc/95/45/37/538954537.db2.gz PHSTWBMNDFFUOL-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO C[C@@H](CO)[N@H+](Cc1csnn1)C1CCCC1 ZINC000649468478 398268904 /nfs/dbraw/zinc/26/89/04/398268904.db2.gz HFTJNKUTFVNUFT-VIFPVBQESA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](CO)[N@@H+](Cc1csnn1)C1CCCC1 ZINC000649468478 398268907 /nfs/dbraw/zinc/26/89/07/398268907.db2.gz HFTJNKUTFVNUFT-VIFPVBQESA-N 1 2 241.360 1.664 20 0 BDADLO CC(C)(C)c1nc(NCCC2(CO)CC2)cc[nH+]1 ZINC000649475880 398273035 /nfs/dbraw/zinc/27/30/35/398273035.db2.gz YZERXVZCHPFKRE-UHFFFAOYSA-N 1 2 249.358 1.771 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000600152360 342691552 /nfs/dbraw/zinc/69/15/52/342691552.db2.gz WZTVULLPEXGZOL-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000600152360 342691553 /nfs/dbraw/zinc/69/15/53/342691553.db2.gz WZTVULLPEXGZOL-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO C[C@H]1C[NH+](Cc2cccc3nccn32)C[C@H](C)O1 ZINC000183380109 538966357 /nfs/dbraw/zinc/96/63/57/538966357.db2.gz BRGIFKMKISVVIH-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1CN(Cc2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000183380109 538966358 /nfs/dbraw/zinc/96/63/58/538966358.db2.gz BRGIFKMKISVVIH-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569766 168383452 /nfs/dbraw/zinc/38/34/52/168383452.db2.gz VMEPJWAQISKQHF-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569766 168383454 /nfs/dbraw/zinc/38/34/54/168383454.db2.gz VMEPJWAQISKQHF-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO COc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCO2 ZINC000144894281 342754180 /nfs/dbraw/zinc/75/41/80/342754180.db2.gz MMRHMADUZDNYHV-UHFFFAOYSA-N 1 2 245.282 1.817 20 0 BDADLO COc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCO2 ZINC000144894281 342754182 /nfs/dbraw/zinc/75/41/82/342754182.db2.gz MMRHMADUZDNYHV-UHFFFAOYSA-N 1 2 245.282 1.817 20 0 BDADLO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580632 342796327 /nfs/dbraw/zinc/79/63/27/342796327.db2.gz IGQDHXRRELHHAD-XVKPBYJWSA-N 1 2 228.242 1.300 20 0 BDADLO C[N@H+](Cc1cccnc1Cl)[C@H]1CCOC1 ZINC000106880538 398286284 /nfs/dbraw/zinc/28/62/84/398286284.db2.gz YDHKBTHDIJJKMH-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1cccnc1Cl)[C@H]1CCOC1 ZINC000106880538 398286287 /nfs/dbraw/zinc/28/62/87/398286287.db2.gz YDHKBTHDIJJKMH-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO Cc1nc(C(=O)Nc2ccc[nH+]c2N(C)C)co1 ZINC000188410000 538978540 /nfs/dbraw/zinc/97/85/40/538978540.db2.gz YSNJIMBZLXYTOR-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000624666705 342813984 /nfs/dbraw/zinc/81/39/84/342813984.db2.gz NJHNUWZLSAAZKL-AOOOYVTPSA-N 1 2 229.283 1.235 20 0 BDADLO Cc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc[nH+]1 ZINC000624674352 342817484 /nfs/dbraw/zinc/81/74/84/342817484.db2.gz YSKIVVQSRJOGPP-WDEREUQCSA-N 1 2 219.288 1.764 20 0 BDADLO CCC(CC)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298095337 168393451 /nfs/dbraw/zinc/39/34/51/168393451.db2.gz ACZGLCRSCCOKLF-SECBINFHSA-N 1 2 238.335 1.870 20 0 BDADLO CCC(CC)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298095337 168393453 /nfs/dbraw/zinc/39/34/53/168393453.db2.gz ACZGLCRSCCOKLF-SECBINFHSA-N 1 2 238.335 1.870 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)CC1(CO)CC1 ZINC000186769933 538974573 /nfs/dbraw/zinc/97/45/73/538974573.db2.gz ASHMYHAULUGRCB-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)CC1(CO)CC1 ZINC000186769933 538974575 /nfs/dbraw/zinc/97/45/75/538974575.db2.gz ASHMYHAULUGRCB-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO Fc1c[nH+]ccc1NCc1cncnc1 ZINC000192149163 538994215 /nfs/dbraw/zinc/99/42/15/538994215.db2.gz VGKAEQSVIIOBBK-UHFFFAOYSA-N 1 2 204.208 1.623 20 0 BDADLO Cc1cnc(NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC000188934443 538980280 /nfs/dbraw/zinc/98/02/80/538980280.db2.gz XZTFBZAUYZHBQA-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO Cc1cnc(NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC000188934443 538980282 /nfs/dbraw/zinc/98/02/82/538980282.db2.gz XZTFBZAUYZHBQA-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO O[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000335479585 398291212 /nfs/dbraw/zinc/29/12/12/398291212.db2.gz WAVXRNUMCAAXQY-NSHDSACASA-N 1 2 232.258 1.945 20 0 BDADLO CCOc1cccc(NCc2[nH+]ccn2CC)n1 ZINC000385310983 539013273 /nfs/dbraw/zinc/01/32/73/539013273.db2.gz LRIJOEBZBPPSCG-UHFFFAOYSA-N 1 2 246.314 1.731 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(F)(F)F ZINC000517756557 259322791 /nfs/dbraw/zinc/32/27/91/259322791.db2.gz JPEBUIVQHFJFCG-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(F)(F)F ZINC000517756557 259322793 /nfs/dbraw/zinc/32/27/93/259322793.db2.gz JPEBUIVQHFJFCG-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@H](CC(=O)NCCc1cnoc1)n1cc[nH+]c1 ZINC000640711415 361951935 /nfs/dbraw/zinc/95/19/35/361951935.db2.gz FFQQOCMBKIOMNP-SNVBAGLBSA-N 1 2 248.286 1.181 20 0 BDADLO Cc1nc(N[C@H](C)C[C@H]2CCOC2)cc[nH+]1 ZINC000390181800 539020375 /nfs/dbraw/zinc/02/03/75/539020375.db2.gz JZBNPSMEWCLSKJ-MWLCHTKSSA-N 1 2 221.304 1.434 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ncc[nH]2)c1C ZINC000066593709 342839981 /nfs/dbraw/zinc/83/99/81/342839981.db2.gz XWMUJQQQQDHBDE-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nccn1C(F)F ZINC000385671846 342840148 /nfs/dbraw/zinc/84/01/48/342840148.db2.gz NCJQEOMCCMARKY-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nccn1C(F)F ZINC000385671846 342840149 /nfs/dbraw/zinc/84/01/49/342840149.db2.gz NCJQEOMCCMARKY-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1occc1C[NH2+]Cc1csnn1 ZINC000388821703 539015176 /nfs/dbraw/zinc/01/51/76/539015176.db2.gz JXEQWHNMJSXCDQ-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCCO1 ZINC000389667314 539016788 /nfs/dbraw/zinc/01/67/88/539016788.db2.gz QDQJUHOYYAOXMB-MWLCHTKSSA-N 1 2 209.293 1.457 20 0 BDADLO Cc1ccc(F)c(C[N@@H+]2CCOC[C@H]2CO)c1 ZINC000649501347 398298818 /nfs/dbraw/zinc/29/88/18/398298818.db2.gz HBPKCUBHBCLAKF-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(F)c(C[N@H+]2CCOC[C@H]2CO)c1 ZINC000649501347 398298820 /nfs/dbraw/zinc/29/88/20/398298820.db2.gz HBPKCUBHBCLAKF-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C)C1)CC2 ZINC000625038547 342844821 /nfs/dbraw/zinc/84/48/21/342844821.db2.gz AYDYIOJBNVHHQV-ZYHUDNBSSA-N 1 2 247.342 1.622 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000649501618 398299749 /nfs/dbraw/zinc/29/97/49/398299749.db2.gz ONNKZGJWAJWRDJ-PSASIEDQSA-N 1 2 219.288 1.314 20 0 BDADLO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134568931 342868854 /nfs/dbraw/zinc/86/88/54/342868854.db2.gz OLGLXOFTJQSZGG-POZPLHJXSA-N 1 2 243.376 1.481 20 0 BDADLO CCc1cc(NCCc2nncn2CC)nc[nH+]1 ZINC000078267399 398308985 /nfs/dbraw/zinc/30/89/85/398308985.db2.gz DFJQKYXTKXTCPQ-UHFFFAOYSA-N 1 2 246.318 1.305 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078253041 398309115 /nfs/dbraw/zinc/30/91/15/398309115.db2.gz PNBQDKFGPHZOJR-SKDRFNHKSA-N 1 2 223.320 1.994 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1nc[nH+]c(C)c1OC ZINC000624556701 344008427 /nfs/dbraw/zinc/00/84/27/344008427.db2.gz LDIQQQJQGUJWIH-SKDRFNHKSA-N 1 2 237.303 1.773 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C12CCC(CC1)C2 ZINC000336474970 398319261 /nfs/dbraw/zinc/31/92/61/398319261.db2.gz XYROVYTUFZPZMI-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO Cc1noc(C)c1CN1CCc2c([nH+]cn2C)C1 ZINC000069516466 398311658 /nfs/dbraw/zinc/31/16/58/398311658.db2.gz GITXIORACOZXGT-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccncc1 ZINC000035273969 342886685 /nfs/dbraw/zinc/88/66/85/342886685.db2.gz PLHWQXIMMUDEFM-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CCC[C@H](OCC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000628035507 342888741 /nfs/dbraw/zinc/88/87/41/342888741.db2.gz QNPRHXZNUBFCBL-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@H](OCC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000628035507 342888742 /nfs/dbraw/zinc/88/87/42/342888742.db2.gz QNPRHXZNUBFCBL-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000625187187 342904990 /nfs/dbraw/zinc/90/49/90/342904990.db2.gz YWEGBKJNWGMIGL-QMMMGPOBSA-N 1 2 239.344 1.230 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000625187187 342904991 /nfs/dbraw/zinc/90/49/91/342904991.db2.gz YWEGBKJNWGMIGL-QMMMGPOBSA-N 1 2 239.344 1.230 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000351477597 136245923 /nfs/dbraw/zinc/24/59/23/136245923.db2.gz NWWXACILGPJREE-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000351477597 136245924 /nfs/dbraw/zinc/24/59/24/136245924.db2.gz NWWXACILGPJREE-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO CCOC[C@@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351514787 136246531 /nfs/dbraw/zinc/24/65/31/136246531.db2.gz AFOHOMXSBDYNEK-GXSJLCMTSA-N 1 2 239.319 1.797 20 0 BDADLO CCOC[C@@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351514787 136246532 /nfs/dbraw/zinc/24/65/32/136246532.db2.gz AFOHOMXSBDYNEK-GXSJLCMTSA-N 1 2 239.319 1.797 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000584011385 342902629 /nfs/dbraw/zinc/90/26/29/342902629.db2.gz NLPQWKFFLMXLID-KXUCPTDWSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000584011385 342902630 /nfs/dbraw/zinc/90/26/30/342902630.db2.gz NLPQWKFFLMXLID-KXUCPTDWSA-N 1 2 233.315 1.744 20 0 BDADLO CSCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000590239775 346871486 /nfs/dbraw/zinc/87/14/86/346871486.db2.gz NVMRRXJWMHOISK-JTQLQIEISA-N 1 2 249.343 1.242 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1sccc1C ZINC000037073834 342916595 /nfs/dbraw/zinc/91/65/95/342916595.db2.gz XQOYXPMDPYMNGQ-QMMMGPOBSA-N 1 2 213.302 1.708 20 0 BDADLO C[C@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000105785764 398324916 /nfs/dbraw/zinc/32/49/16/398324916.db2.gz ZBXMWKAKFCMAAQ-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO C[C@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000105785764 398324917 /nfs/dbraw/zinc/32/49/17/398324917.db2.gz ZBXMWKAKFCMAAQ-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO O=c1c2c([nH]n1-c1ccccc1F)CC[NH2+]C2 ZINC000634587203 342930946 /nfs/dbraw/zinc/93/09/46/342930946.db2.gz HNCAXXLXBPWDNE-QMMMGPOBSA-N 1 2 233.246 1.138 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CC[C@H]2CCCO2)no1 ZINC000351627559 136248820 /nfs/dbraw/zinc/24/88/20/136248820.db2.gz GSMAOAXZRCSOQM-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CC[C@H]2CCCO2)no1 ZINC000351627559 136248821 /nfs/dbraw/zinc/24/88/21/136248821.db2.gz GSMAOAXZRCSOQM-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CCC[C@](C)([NH2+]CCOCC1CC1)C(=O)OC ZINC000119647336 398328088 /nfs/dbraw/zinc/32/80/88/398328088.db2.gz PXTDLBDAFUPRDZ-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO CCn1ccnc1CN(C)Cc1[nH+]ccn1C ZINC000162328123 349659518 /nfs/dbraw/zinc/65/95/18/349659518.db2.gz ZIMHCZLEXZBHFG-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OCC ZINC000602637265 349651409 /nfs/dbraw/zinc/65/14/09/349651409.db2.gz LFFQDEMHXQCQFG-FWSSAOSUSA-N 1 2 243.347 1.897 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000602643369 349655473 /nfs/dbraw/zinc/65/54/73/349655473.db2.gz FJQJFAZNIVAZKH-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@H](NC(=O)COC(F)F)c1[nH]cc[nH+]1 ZINC000354775174 398330164 /nfs/dbraw/zinc/33/01/64/398330164.db2.gz VVOWQWPUIPACTK-LURJTMIESA-N 1 2 233.218 1.216 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000351628292 136249018 /nfs/dbraw/zinc/24/90/18/136249018.db2.gz JBHNDUJRRJQTQL-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000351628292 136249019 /nfs/dbraw/zinc/24/90/19/136249019.db2.gz JBHNDUJRRJQTQL-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO COCCC[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017586 398333118 /nfs/dbraw/zinc/33/31/18/398333118.db2.gz SDIPQRXHKPVUDE-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017586 398333119 /nfs/dbraw/zinc/33/31/19/398333119.db2.gz SDIPQRXHKPVUDE-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](SC)C1 ZINC000602678155 349671033 /nfs/dbraw/zinc/67/10/33/349671033.db2.gz CUMJRXQWXHXNDJ-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](SC)C1 ZINC000602678155 349671035 /nfs/dbraw/zinc/67/10/35/349671035.db2.gz CUMJRXQWXHXNDJ-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000602682052 349674452 /nfs/dbraw/zinc/67/44/52/349674452.db2.gz QDWRKHUWDUZJBC-DCAQKATOSA-N 1 2 229.320 1.484 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000602683930 349675531 /nfs/dbraw/zinc/67/55/31/349675531.db2.gz YFIRIYUULSLKQV-GUBZILKMSA-N 1 2 231.361 1.810 20 0 BDADLO CCc1nocc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000647368620 398344603 /nfs/dbraw/zinc/34/46/03/398344603.db2.gz RJDDWRDHXDIKDR-UHFFFAOYSA-N 1 2 248.286 1.092 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)o1 ZINC000351782359 136254194 /nfs/dbraw/zinc/25/41/94/136254194.db2.gz QCAYJNMVWOSRAS-DTWKUNHWSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)o1 ZINC000351782359 136254195 /nfs/dbraw/zinc/25/41/95/136254195.db2.gz QCAYJNMVWOSRAS-DTWKUNHWSA-N 1 2 225.292 1.006 20 0 BDADLO Cc1cc(N(C)Cc2ccccn2)nc[nH+]1 ZINC000301272449 187206496 /nfs/dbraw/zinc/20/64/96/187206496.db2.gz XZBPVFUDHPGSMN-UHFFFAOYSA-N 1 2 214.272 1.816 20 0 BDADLO CC(C)c1nc(N2CC(C)(O)C2)cc[nH+]1 ZINC000302624616 187207167 /nfs/dbraw/zinc/20/71/67/187207167.db2.gz HRFIBYANAAULKS-UHFFFAOYSA-N 1 2 207.277 1.171 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000602700602 349695874 /nfs/dbraw/zinc/69/58/74/349695874.db2.gz HPBJWMXKXHNRPD-YFKTTZPYSA-N 1 2 245.363 1.977 20 0 BDADLO CC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cn2)C1 ZINC000301851952 187207296 /nfs/dbraw/zinc/20/72/96/187207296.db2.gz PTAALWZFOWREJP-LBPRGKRZSA-N 1 2 248.330 1.090 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000162411372 349697374 /nfs/dbraw/zinc/69/73/74/349697374.db2.gz DJPOWTTTZJFLJC-ZDUSSCGKSA-N 1 2 238.331 1.435 20 0 BDADLO CCOCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000162411372 349697377 /nfs/dbraw/zinc/69/73/77/349697377.db2.gz DJPOWTTTZJFLJC-ZDUSSCGKSA-N 1 2 238.331 1.435 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCC1 ZINC000492262758 529550665 /nfs/dbraw/zinc/55/06/65/529550665.db2.gz QJSBIHUCGZKDSO-AATRIKPKSA-N 1 2 219.288 1.539 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC[C@H](C)F ZINC000493127304 529554135 /nfs/dbraw/zinc/55/41/35/529554135.db2.gz RQKRLVWJTZLMIQ-YEZKRMTDSA-N 1 2 239.294 1.781 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CCO[C@@H]1C ZINC000493844599 529554624 /nfs/dbraw/zinc/55/46/24/529554624.db2.gz MHWINDVTKAXGRP-XKFHPXPTSA-N 1 2 249.314 1.210 20 0 BDADLO CCOC(=O)C[N@H+](CCOC)CC[C@H](C)F ZINC000351849583 136257713 /nfs/dbraw/zinc/25/77/13/136257713.db2.gz FCLWQGQRFJVKLU-JTQLQIEISA-N 1 2 235.299 1.246 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC)CC[C@H](C)F ZINC000351849583 136257714 /nfs/dbraw/zinc/25/77/14/136257714.db2.gz FCLWQGQRFJVKLU-JTQLQIEISA-N 1 2 235.299 1.246 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@@H]1CCOC1 ZINC000492404778 529550139 /nfs/dbraw/zinc/55/01/39/529550139.db2.gz AGUUXYZBBCGQDX-SGUJLRQBSA-N 1 2 249.314 1.164 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)c(F)c1 ZINC000020372586 342984198 /nfs/dbraw/zinc/98/41/98/342984198.db2.gz JHOHCZXLGNOPFN-SNVBAGLBSA-N 1 2 240.303 1.735 20 0 BDADLO COc1c(C)c[nH+]c(CSCCO)c1C ZINC000020426954 342984571 /nfs/dbraw/zinc/98/45/71/342984571.db2.gz ACUDNRKLZSQZLK-UHFFFAOYSA-N 1 2 227.329 1.933 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000357032581 187213694 /nfs/dbraw/zinc/21/36/94/187213694.db2.gz GWDVPDKFVZIVQQ-UHFFFAOYSA-N 1 2 235.331 1.380 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000357032581 187213696 /nfs/dbraw/zinc/21/36/96/187213696.db2.gz GWDVPDKFVZIVQQ-UHFFFAOYSA-N 1 2 235.331 1.380 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC(F)(F)F ZINC000357216665 187214991 /nfs/dbraw/zinc/21/49/91/187214991.db2.gz NCGOJXLBHXKBCF-UHFFFAOYSA-N 1 2 235.209 1.031 20 0 BDADLO C[C@H](c1ccccc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634599447 342988739 /nfs/dbraw/zinc/98/87/39/342988739.db2.gz IRYHRPAYHOOJLT-PWSUYJOCSA-N 1 2 243.310 1.555 20 0 BDADLO COCCc1noc(C[N@H+](C)CC[C@H](C)F)n1 ZINC000351877701 136261531 /nfs/dbraw/zinc/26/15/31/136261531.db2.gz CCAVBGMBYFDNDN-VIFPVBQESA-N 1 2 245.298 1.438 20 0 BDADLO COCCc1noc(C[N@@H+](C)CC[C@H](C)F)n1 ZINC000351877701 136261532 /nfs/dbraw/zinc/26/15/32/136261532.db2.gz CCAVBGMBYFDNDN-VIFPVBQESA-N 1 2 245.298 1.438 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000037956973 343018790 /nfs/dbraw/zinc/01/87/90/343018790.db2.gz PDBNMEZVCHWBQW-PWSUYJOCSA-N 1 2 229.320 1.487 20 0 BDADLO CC(C)[C@H](CO)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000362181905 187219342 /nfs/dbraw/zinc/21/93/42/187219342.db2.gz PTTZGBHBZUBVHU-VIFPVBQESA-N 1 2 241.335 1.474 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@H+](CC(F)F)C1 ZINC000368068049 187220702 /nfs/dbraw/zinc/22/07/02/187220702.db2.gz DZGULIOCLKZLAH-JTQLQIEISA-N 1 2 207.264 1.592 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@@H+](CC(F)F)C1 ZINC000368068049 187220704 /nfs/dbraw/zinc/22/07/04/187220704.db2.gz DZGULIOCLKZLAH-JTQLQIEISA-N 1 2 207.264 1.592 20 0 BDADLO C[C@@](O)(C[N@@H+]1CCC=C(F)C1)C(F)(F)F ZINC000335908922 136261834 /nfs/dbraw/zinc/26/18/34/136261834.db2.gz LPDUJPFKHFLAGQ-MRVPVSSYSA-N 1 2 227.201 1.859 20 0 BDADLO C[C@@](O)(C[N@H+]1CCC=C(F)C1)C(F)(F)F ZINC000335908922 136261835 /nfs/dbraw/zinc/26/18/35/136261835.db2.gz LPDUJPFKHFLAGQ-MRVPVSSYSA-N 1 2 227.201 1.859 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000602832918 349769020 /nfs/dbraw/zinc/76/90/20/349769020.db2.gz UDFQQVSMEUXBPP-VGMNWLOBSA-N 1 2 238.287 1.862 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000602832918 349769022 /nfs/dbraw/zinc/76/90/22/349769022.db2.gz UDFQQVSMEUXBPP-VGMNWLOBSA-N 1 2 238.287 1.862 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCSC1 ZINC000373273657 187223943 /nfs/dbraw/zinc/22/39/43/187223943.db2.gz YDQQLKXSFPXAJP-BDAKNGLRSA-N 1 2 237.315 1.441 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H]1CCSC1 ZINC000373273657 187223944 /nfs/dbraw/zinc/22/39/44/187223944.db2.gz YDQQLKXSFPXAJP-BDAKNGLRSA-N 1 2 237.315 1.441 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cncn1C ZINC000177035180 346921110 /nfs/dbraw/zinc/92/11/10/346921110.db2.gz FUTAYKXGARRKCB-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cncn1C ZINC000177035180 346921112 /nfs/dbraw/zinc/92/11/12/346921112.db2.gz FUTAYKXGARRKCB-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1c[nH+]cn1C ZINC000177035180 346921114 /nfs/dbraw/zinc/92/11/14/346921114.db2.gz FUTAYKXGARRKCB-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[C@@H](OC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421578706 192355832 /nfs/dbraw/zinc/35/58/32/192355832.db2.gz RNDUHWYYJDWVQU-GFCCVEGCSA-N 1 2 236.315 1.740 20 0 BDADLO C[N@H+](CC(=O)NCC(C)(C)C)Cc1cn[nH]c1 ZINC000625259667 343129369 /nfs/dbraw/zinc/12/93/69/343129369.db2.gz SUZALASCNACVEB-UHFFFAOYSA-N 1 2 238.335 1.004 20 0 BDADLO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1cn[nH]c1 ZINC000625259667 343129372 /nfs/dbraw/zinc/12/93/72/343129372.db2.gz SUZALASCNACVEB-UHFFFAOYSA-N 1 2 238.335 1.004 20 0 BDADLO CC(C)(O)CCNc1nc[nH+]c(N)c1Cl ZINC000277831080 187239643 /nfs/dbraw/zinc/23/96/43/187239643.db2.gz PORBHKOJKNORJV-UHFFFAOYSA-N 1 2 230.699 1.285 20 0 BDADLO CC(C)(O)CCNc1[nH+]cnc(N)c1Cl ZINC000277831080 187239645 /nfs/dbraw/zinc/23/96/45/187239645.db2.gz PORBHKOJKNORJV-UHFFFAOYSA-N 1 2 230.699 1.285 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000379372812 343136317 /nfs/dbraw/zinc/13/63/17/343136317.db2.gz VZCARBHSKPUGAP-PRJMDXOYSA-N 1 2 203.307 1.032 20 0 BDADLO CCC[C@@H]1SCCN1C(=O)Cn1cc[nH+]c1 ZINC000576916721 365721607 /nfs/dbraw/zinc/72/16/07/365721607.db2.gz GIOYJLWBBRXKLZ-NSHDSACASA-N 1 2 239.344 1.585 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1C=CCC1)c1[nH]cc[nH+]1 ZINC000125386402 343173003 /nfs/dbraw/zinc/17/30/03/343173003.db2.gz LBZKDEDNWXGGPK-ZJUUUORDSA-N 1 2 219.288 1.943 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@H](C(=O)[O-])C1 ZINC000129353435 343176902 /nfs/dbraw/zinc/17/69/02/343176902.db2.gz AHIVYCNUTCVVCZ-KOLCDFICSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@H](C(=O)[O-])C1 ZINC000129353435 343176904 /nfs/dbraw/zinc/17/69/04/343176904.db2.gz AHIVYCNUTCVVCZ-KOLCDFICSA-N 1 2 237.303 1.105 20 0 BDADLO C[N@H+](CC(F)F)C[C@H]1CCCC[C@@H]1O ZINC000163116473 343206438 /nfs/dbraw/zinc/20/64/38/343206438.db2.gz YYHVKAVESNBAKV-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H]1CCCC[C@@H]1O ZINC000163116473 343206439 /nfs/dbraw/zinc/20/64/39/343206439.db2.gz YYHVKAVESNBAKV-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCOCC1 ZINC000082777128 136277020 /nfs/dbraw/zinc/27/70/20/136277020.db2.gz VKPUYFRQENDPEX-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCOCC1 ZINC000082777128 136277021 /nfs/dbraw/zinc/27/70/21/136277021.db2.gz VKPUYFRQENDPEX-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1CC1 ZINC000393580188 259356144 /nfs/dbraw/zinc/35/61/44/259356144.db2.gz DTIMLEDVZUJAHW-SNVBAGLBSA-N 1 2 243.347 1.325 20 0 BDADLO CC[C@@H](C)[C@H](C)Nc1nc[nH+]c(N)c1OC ZINC000134844562 343191094 /nfs/dbraw/zinc/19/10/94/343191094.db2.gz QPHJUCSONMWMOQ-SFYZADRCSA-N 1 2 224.308 1.914 20 0 BDADLO CC[C@@H](C)[C@H](C)Nc1[nH+]cnc(N)c1OC ZINC000134844562 343191096 /nfs/dbraw/zinc/19/10/96/343191096.db2.gz QPHJUCSONMWMOQ-SFYZADRCSA-N 1 2 224.308 1.914 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CC1CCCC1 ZINC000134891670 343191928 /nfs/dbraw/zinc/19/19/28/343191928.db2.gz VNWWFARVIXUIFI-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CC1CCCC1 ZINC000134891670 343191930 /nfs/dbraw/zinc/19/19/30/343191930.db2.gz VNWWFARVIXUIFI-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO Cc1ccncc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000525678838 259356560 /nfs/dbraw/zinc/35/65/60/259356560.db2.gz UIWMUBVTFRAELX-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO CCC(C)(C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625301740 343227685 /nfs/dbraw/zinc/22/76/85/343227685.db2.gz XHPQGJPJVAPNTN-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO CCC(C)(C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625301740 343227687 /nfs/dbraw/zinc/22/76/87/343227687.db2.gz XHPQGJPJVAPNTN-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO COC1CC(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000627658557 343238309 /nfs/dbraw/zinc/23/83/09/343238309.db2.gz GVQHRIMGKRSSOX-SFXRXQKFSA-N 1 2 249.314 1.430 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000625341679 343241230 /nfs/dbraw/zinc/24/12/30/343241230.db2.gz WJADPLZPKSBPGU-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000625341679 343241231 /nfs/dbraw/zinc/24/12/31/343241231.db2.gz WJADPLZPKSBPGU-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO CC(C)C=Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035280 362146466 /nfs/dbraw/zinc/14/64/66/362146466.db2.gz GVCOWVGQHIFQNW-ONEGZZNKSA-N 1 2 217.276 1.719 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000121459054 343266490 /nfs/dbraw/zinc/26/64/90/343266490.db2.gz LZBHSYNSPYKUKN-RYUDHWBXSA-N 1 2 233.315 1.125 20 0 BDADLO CC(C)/C=C/c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037553 362150113 /nfs/dbraw/zinc/15/01/13/362150113.db2.gz AGMMHZKVLGLMQT-SNAWJCMRSA-N 1 2 231.303 1.729 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)on1 ZINC000274454075 136284968 /nfs/dbraw/zinc/28/49/68/136284968.db2.gz LGEMOASTJMFJBE-PSLIRLAXSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)on1 ZINC000274454075 136284969 /nfs/dbraw/zinc/28/49/69/136284969.db2.gz LGEMOASTJMFJBE-PSLIRLAXSA-N 1 2 230.333 1.182 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC1=CCCC1 ZINC000185885380 343326194 /nfs/dbraw/zinc/32/61/94/343326194.db2.gz KBKWMZYLAVRQSR-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO Fc1cccc(C[NH2+]Cc2csnn2)c1 ZINC000036902167 343327098 /nfs/dbraw/zinc/32/70/98/343327098.db2.gz VTNTXSZJUDNYOW-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000348756164 136297843 /nfs/dbraw/zinc/29/78/43/136297843.db2.gz MNURTQLQIDZOKE-CYBMUJFWSA-N 1 2 236.363 1.395 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000348756164 136297844 /nfs/dbraw/zinc/29/78/44/136297844.db2.gz MNURTQLQIDZOKE-CYBMUJFWSA-N 1 2 236.363 1.395 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCC[C@H]2O)[nH+]1 ZINC000348730104 136294997 /nfs/dbraw/zinc/29/49/97/136294997.db2.gz YRFKBYKOHXSWGG-GHMZBOCLSA-N 1 2 246.314 1.982 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335613158 136295377 /nfs/dbraw/zinc/29/53/77/136295377.db2.gz LULPQXXYJPNJRG-SECBINFHSA-N 1 2 242.706 1.643 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335613158 136295378 /nfs/dbraw/zinc/29/53/78/136295378.db2.gz LULPQXXYJPNJRG-SECBINFHSA-N 1 2 242.706 1.643 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(F)C1 ZINC000584062132 343309253 /nfs/dbraw/zinc/30/92/53/343309253.db2.gz FJVBHQPHOKLELS-CABZTGNLSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(F)C1 ZINC000584062132 343309255 /nfs/dbraw/zinc/30/92/55/343309255.db2.gz FJVBHQPHOKLELS-CABZTGNLSA-N 1 2 239.294 1.549 20 0 BDADLO CC(C)=CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000075848752 343361330 /nfs/dbraw/zinc/36/13/30/343361330.db2.gz OGODCOYQDKYLGM-JTQLQIEISA-N 1 2 207.277 1.354 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccccc1Cl ZINC000037988971 343364286 /nfs/dbraw/zinc/36/42/86/343364286.db2.gz ZROQZRWMXUOCGR-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000625383491 343366225 /nfs/dbraw/zinc/36/62/25/343366225.db2.gz LTBRZPOREHQWEX-PSASIEDQSA-N 1 2 236.319 1.346 20 0 BDADLO CCO[C@@H](C[N@H+](CCO)CC(F)F)C1CC1 ZINC000625382518 343366237 /nfs/dbraw/zinc/36/62/37/343366237.db2.gz BPLKDTFJAPBUOD-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO CCO[C@@H](C[N@@H+](CCO)CC(F)F)C1CC1 ZINC000625382518 343366238 /nfs/dbraw/zinc/36/62/38/343366238.db2.gz BPLKDTFJAPBUOD-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1ncc(C)n1C ZINC000348836489 136302126 /nfs/dbraw/zinc/30/21/26/136302126.db2.gz WTFDHPJGBQBQNH-SNVBAGLBSA-N 1 2 211.309 1.195 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1ncc(C)n1C ZINC000348836489 136302127 /nfs/dbraw/zinc/30/21/27/136302127.db2.gz WTFDHPJGBQBQNH-SNVBAGLBSA-N 1 2 211.309 1.195 20 0 BDADLO CO[C@H](C)CN(C)Cc1[nH+]cc(C)n1C ZINC000348836489 136302128 /nfs/dbraw/zinc/30/21/28/136302128.db2.gz WTFDHPJGBQBQNH-SNVBAGLBSA-N 1 2 211.309 1.195 20 0 BDADLO C[C@@H]1[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C1(F)F ZINC000335652729 136305880 /nfs/dbraw/zinc/30/58/80/136305880.db2.gz BSAGHQNCAZZEFG-VXNVDRBHSA-N 1 2 243.257 1.280 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000335671167 136313163 /nfs/dbraw/zinc/31/31/63/136313163.db2.gz GWNXWTKPAYXVIG-UHFFFAOYSA-N 1 2 248.326 1.320 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000335671167 136313164 /nfs/dbraw/zinc/31/31/64/136313164.db2.gz GWNXWTKPAYXVIG-UHFFFAOYSA-N 1 2 248.326 1.320 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)on1 ZINC000335663003 136315584 /nfs/dbraw/zinc/31/55/84/136315584.db2.gz HZEHMXGWXKRRMO-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)on1 ZINC000335663003 136315585 /nfs/dbraw/zinc/31/55/85/136315585.db2.gz HZEHMXGWXKRRMO-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)on1 ZINC000335663488 136316012 /nfs/dbraw/zinc/31/60/12/136316012.db2.gz LTQNXYQYDSDDPJ-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)on1 ZINC000335663488 136316013 /nfs/dbraw/zinc/31/60/13/136316013.db2.gz LTQNXYQYDSDDPJ-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000335664631 136316601 /nfs/dbraw/zinc/31/66/01/136316601.db2.gz VDHPUONFDKZWAH-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000335664631 136316602 /nfs/dbraw/zinc/31/66/02/136316602.db2.gz VDHPUONFDKZWAH-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO CSC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000276590281 187338699 /nfs/dbraw/zinc/33/86/99/187338699.db2.gz MYJZRLZJONDOPA-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000631138779 343417388 /nfs/dbraw/zinc/41/73/88/343417388.db2.gz ACNTUXUTPBOMSC-GMTAPVOTSA-N 1 2 234.299 1.564 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000335679671 136320045 /nfs/dbraw/zinc/32/00/45/136320045.db2.gz NHNABTDGSCZTMT-ZDUSSCGKSA-N 1 2 245.326 1.674 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ncnn1C ZINC000335722900 136343964 /nfs/dbraw/zinc/34/39/64/136343964.db2.gz WQDZBZZEAIJQPD-JGVFFNPUSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ncnn1C ZINC000335722900 136343965 /nfs/dbraw/zinc/34/39/65/136343965.db2.gz WQDZBZZEAIJQPD-JGVFFNPUSA-N 1 2 248.252 1.588 20 0 BDADLO Cn1cccc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000349405010 136344808 /nfs/dbraw/zinc/34/48/08/136344808.db2.gz GUYVCNMBLINIFH-VIFPVBQESA-N 1 2 236.237 1.380 20 0 BDADLO Cn1cccc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000349405010 136344809 /nfs/dbraw/zinc/34/48/09/136344809.db2.gz GUYVCNMBLINIFH-VIFPVBQESA-N 1 2 236.237 1.380 20 0 BDADLO c1cc(C[NH2+]CCOC2CCCC2)[nH]n1 ZINC000082394725 343440723 /nfs/dbraw/zinc/44/07/23/343440723.db2.gz IHFASGSXJMYGGR-UHFFFAOYSA-N 1 2 209.293 1.459 20 0 BDADLO CC(C)=CCNC(=O)CCn1cc[nH+]c1 ZINC000276699639 187339865 /nfs/dbraw/zinc/33/98/65/187339865.db2.gz MYRQLRUMYSDVKH-UHFFFAOYSA-N 1 2 207.277 1.356 20 0 BDADLO O[C@H]1C[N@H+](Cc2nccs2)CC12CC2 ZINC000335725071 136347219 /nfs/dbraw/zinc/34/72/19/136347219.db2.gz ILOPDAFGZJLETI-QMMMGPOBSA-N 1 2 210.302 1.100 20 0 BDADLO O[C@H]1C[N@@H+](Cc2nccs2)CC12CC2 ZINC000335725071 136347220 /nfs/dbraw/zinc/34/72/20/136347220.db2.gz ILOPDAFGZJLETI-QMMMGPOBSA-N 1 2 210.302 1.100 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335728484 136347706 /nfs/dbraw/zinc/34/77/06/136347706.db2.gz PCUSFUAIHJNSEW-JGVFFNPUSA-N 1 2 221.247 1.525 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335728484 136347707 /nfs/dbraw/zinc/34/77/07/136347707.db2.gz PCUSFUAIHJNSEW-JGVFFNPUSA-N 1 2 221.247 1.525 20 0 BDADLO CC1(Cn2cc(Cn3cc[nH+]c3)nn2)CCC1 ZINC000641088838 362212997 /nfs/dbraw/zinc/21/29/97/362212997.db2.gz WTVPOIMTBSTPPD-UHFFFAOYSA-N 1 2 231.303 1.713 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000042223374 343431447 /nfs/dbraw/zinc/43/14/47/343431447.db2.gz YVVPUDFVRXGCTF-NSHDSACASA-N 1 2 221.300 1.955 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000042303763 343433984 /nfs/dbraw/zinc/43/39/84/343433984.db2.gz CIQLLZVSKBIIRC-WDEREUQCSA-N 1 2 221.300 1.941 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042532622 343441763 /nfs/dbraw/zinc/44/17/63/343441763.db2.gz JXMYJUKGQFBOQZ-UAWPZABVSA-N 1 2 221.304 1.744 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335718237 136340104 /nfs/dbraw/zinc/34/01/04/136340104.db2.gz QHPUYYMXPFFRGO-YUMQZZPRSA-N 1 2 239.344 1.135 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335718237 136340105 /nfs/dbraw/zinc/34/01/05/136340105.db2.gz QHPUYYMXPFFRGO-YUMQZZPRSA-N 1 2 239.344 1.135 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367087759 136341456 /nfs/dbraw/zinc/34/14/56/136341456.db2.gz ZESCKVWDUWSUCA-KGYLQXTDSA-N 1 2 245.326 1.211 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+]CC(=O)NC1CCCCC1 ZINC000166940058 136367896 /nfs/dbraw/zinc/36/78/96/136367896.db2.gz JPZYNOZBOGRKAE-MNOVXSKESA-N 1 2 224.348 1.681 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351106621 136368021 /nfs/dbraw/zinc/36/80/21/136368021.db2.gz XMQVZPZKBGCBLF-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351106621 136368022 /nfs/dbraw/zinc/36/80/22/136368022.db2.gz XMQVZPZKBGCBLF-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CCC(C)(C)c1cn(CCn2cc[nH+]c2)nn1 ZINC000641124044 362231705 /nfs/dbraw/zinc/23/17/05/362231705.db2.gz TUWWKBLPWOSJKI-UHFFFAOYSA-N 1 2 233.319 1.862 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000616490339 343473893 /nfs/dbraw/zinc/47/38/93/343473893.db2.gz SCKWVIIHWHWFEL-SECBINFHSA-N 1 2 235.331 1.772 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000616490339 343473895 /nfs/dbraw/zinc/47/38/95/343473895.db2.gz SCKWVIIHWHWFEL-SECBINFHSA-N 1 2 235.331 1.772 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCO)C1CC1 ZINC000082784296 343467023 /nfs/dbraw/zinc/46/70/23/343467023.db2.gz HYQPQEUNFHDKJD-VIFPVBQESA-N 1 2 229.320 1.173 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCO)C1CC1 ZINC000082784296 343467026 /nfs/dbraw/zinc/46/70/26/343467026.db2.gz HYQPQEUNFHDKJD-VIFPVBQESA-N 1 2 229.320 1.173 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000043314325 343467568 /nfs/dbraw/zinc/46/75/68/343467568.db2.gz VIXLYGRLINMFKY-LLVKDONJSA-N 1 2 221.300 1.955 20 0 BDADLO CCCNC(=O)CCNc1cc(CC)[nH+]cn1 ZINC000045084728 343523223 /nfs/dbraw/zinc/52/32/23/343523223.db2.gz PRTGUENHPMTKTE-UHFFFAOYSA-N 1 2 236.319 1.367 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000277855953 187341007 /nfs/dbraw/zinc/34/10/07/187341007.db2.gz RCUWTLPTWRDFGM-NKWVEPMBSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000277855953 187341009 /nfs/dbraw/zinc/34/10/09/187341009.db2.gz RCUWTLPTWRDFGM-NKWVEPMBSA-N 1 2 242.710 1.549 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723861 343550757 /nfs/dbraw/zinc/55/07/57/343550757.db2.gz XFDNAZDILHZCMH-JQWIXIFHSA-N 1 2 233.315 1.662 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000536349512 343503285 /nfs/dbraw/zinc/50/32/85/343503285.db2.gz RRSARMGOCXWUIU-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000536349512 343503286 /nfs/dbraw/zinc/50/32/86/343503286.db2.gz RRSARMGOCXWUIU-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245311 343553428 /nfs/dbraw/zinc/55/34/28/343553428.db2.gz MAMWWYSBHMCAGJ-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000047953431 343569072 /nfs/dbraw/zinc/56/90/72/343569072.db2.gz HCOIHUMFNDHETK-UHFFFAOYSA-N 1 2 247.245 1.273 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000047953431 343569075 /nfs/dbraw/zinc/56/90/75/343569075.db2.gz HCOIHUMFNDHETK-UHFFFAOYSA-N 1 2 247.245 1.273 20 0 BDADLO CC(C)[C@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000620042459 343593976 /nfs/dbraw/zinc/59/39/76/343593976.db2.gz RPPIMADQLSEGGK-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)[C@H](C)O1 ZINC000384555069 343617216 /nfs/dbraw/zinc/61/72/16/343617216.db2.gz GUKWGMWNGRIZPK-DSYKOEDSSA-N 1 2 242.710 1.690 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)[C@H](C)O1 ZINC000384555069 343617217 /nfs/dbraw/zinc/61/72/17/343617217.db2.gz GUKWGMWNGRIZPK-DSYKOEDSSA-N 1 2 242.710 1.690 20 0 BDADLO CCc1nnc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492863719 529769521 /nfs/dbraw/zinc/76/95/21/529769521.db2.gz MTHSQOOYCOOVKX-ONEGZZNKSA-N 1 2 249.299 1.476 20 0 BDADLO C[N@H+](CCO)Cc1nc(-c2cccs2)no1 ZINC000049633856 343604818 /nfs/dbraw/zinc/60/48/18/343604818.db2.gz GBKLSDPJMYMNRQ-UHFFFAOYSA-N 1 2 239.300 1.222 20 0 BDADLO C[N@@H+](CCO)Cc1nc(-c2cccs2)no1 ZINC000049633856 343604819 /nfs/dbraw/zinc/60/48/19/343604819.db2.gz GBKLSDPJMYMNRQ-UHFFFAOYSA-N 1 2 239.300 1.222 20 0 BDADLO CC(=O)N1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000280613487 187343288 /nfs/dbraw/zinc/34/32/88/187343288.db2.gz YLMDOGWUYRKRBV-LBPRGKRZSA-N 1 2 248.330 1.455 20 0 BDADLO CC(C)C1(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000281395223 187342738 /nfs/dbraw/zinc/34/27/38/187342738.db2.gz YEEPZIZVGRUXHR-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282658062 187343460 /nfs/dbraw/zinc/34/34/60/187343460.db2.gz IKXIRNNHSCEGFF-LLVKDONJSA-N 1 2 248.330 1.009 20 0 BDADLO CCSCC[N@H+](C)Cc1cn[nH]c1C ZINC000602942184 349825466 /nfs/dbraw/zinc/82/54/66/349825466.db2.gz LHGXYTOMYQAZIM-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO CCSCC[N@@H+](C)Cc1cn[nH]c1C ZINC000602942184 349825470 /nfs/dbraw/zinc/82/54/70/349825470.db2.gz LHGXYTOMYQAZIM-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)N(C)C)cn2c1 ZINC000056354589 343678607 /nfs/dbraw/zinc/67/86/07/343678607.db2.gz YJUPRDRWQQTUCH-UHFFFAOYSA-N 1 2 232.287 1.414 20 0 BDADLO COc1ccnc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000577054302 365794879 /nfs/dbraw/zinc/79/48/79/365794879.db2.gz SHDOZGQTMUZCBB-RKDXNWHRSA-N 1 2 245.286 1.800 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1cocn1 ZINC000379975259 343662229 /nfs/dbraw/zinc/66/22/29/343662229.db2.gz CZZMYZYQCGKSMP-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)OC)C(C)(C)C ZINC000379983045 343663405 /nfs/dbraw/zinc/66/34/05/343663405.db2.gz IMILVAZLHKXUEM-RKDXNWHRSA-N 1 2 217.309 1.199 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(F)cc1 ZINC000083970390 343691936 /nfs/dbraw/zinc/69/19/36/343691936.db2.gz MGHNRWFPDZQGRP-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO COCC[N@H+](Cc1cc(C)on1)C1CC1 ZINC000048023782 343701652 /nfs/dbraw/zinc/70/16/52/343701652.db2.gz ZFUBOZBSZQGAFT-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COCC[N@@H+](Cc1cc(C)on1)C1CC1 ZINC000048023782 343701653 /nfs/dbraw/zinc/70/16/53/343701653.db2.gz ZFUBOZBSZQGAFT-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CCOC1 ZINC000287449508 187346461 /nfs/dbraw/zinc/34/64/61/187346461.db2.gz HXWMGMZNJXVKNJ-LLVKDONJSA-N 1 2 249.314 1.856 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CSC[C@@H]2C)no1 ZINC000309035200 346956005 /nfs/dbraw/zinc/95/60/05/346956005.db2.gz HQFIIENBTBKFMB-YUMQZZPRSA-N 1 2 227.333 1.473 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@H](C)O1 ZINC000631301952 343685620 /nfs/dbraw/zinc/68/56/20/343685620.db2.gz XRGSHZVOALGVMK-JFGNBEQYSA-N 1 2 249.314 1.080 20 0 BDADLO CSC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000287841634 187345840 /nfs/dbraw/zinc/34/58/40/187345840.db2.gz DMHJNIFBAUGLQY-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431882 343732932 /nfs/dbraw/zinc/73/29/32/343732932.db2.gz KGLXAOWOJTYLHA-KXUCPTDWSA-N 1 2 236.319 1.346 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431882 343732934 /nfs/dbraw/zinc/73/29/34/343732934.db2.gz KGLXAOWOJTYLHA-KXUCPTDWSA-N 1 2 236.319 1.346 20 0 BDADLO Cc1noc([C@H](C)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000625438409 343740025 /nfs/dbraw/zinc/74/00/25/343740025.db2.gz QBNAXQRICBVMEO-ZETCQYMHSA-N 1 2 233.275 1.220 20 0 BDADLO FC(F)(F)CN1CCc2[nH+]c[nH]c2C1 ZINC000625438043 343740120 /nfs/dbraw/zinc/74/01/20/343740120.db2.gz MQICGDYSLAQDLA-UHFFFAOYSA-N 1 2 205.183 1.330 20 0 BDADLO CCN1C[C@H](CNc2[nH+]cccc2OC)CC1=O ZINC000624351161 343730011 /nfs/dbraw/zinc/73/00/11/343730011.db2.gz UIEJRYFUVCEDPD-JTQLQIEISA-N 1 2 249.314 1.371 20 0 BDADLO CCC[N@H+](Cc1ccno1)[C@H](C)C(=O)OCC ZINC000584218194 343773134 /nfs/dbraw/zinc/77/31/34/343773134.db2.gz BIASNGBWLWJZPT-SNVBAGLBSA-N 1 2 240.303 1.838 20 0 BDADLO CCC[N@@H+](Cc1ccno1)[C@H](C)C(=O)OCC ZINC000584218194 343773136 /nfs/dbraw/zinc/77/31/36/343773136.db2.gz BIASNGBWLWJZPT-SNVBAGLBSA-N 1 2 240.303 1.838 20 0 BDADLO CN(CC1CCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493477561 529862658 /nfs/dbraw/zinc/86/26/58/529862658.db2.gz GCXZGZMEHVSYAV-AATRIKPKSA-N 1 2 219.288 1.681 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)c2nccs2)[C@H]1C ZINC000293382607 187350562 /nfs/dbraw/zinc/35/05/62/187350562.db2.gz JZWKLSCXEKTWDJ-BDAKNGLRSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2nccs2)[C@H]1C ZINC000293382607 187350563 /nfs/dbraw/zinc/35/05/63/187350563.db2.gz JZWKLSCXEKTWDJ-BDAKNGLRSA-N 1 2 239.344 1.446 20 0 BDADLO CNc1cc(N2CCC(F)(F)CC2)nc[nH+]1 ZINC000405016190 343812265 /nfs/dbraw/zinc/81/22/65/343812265.db2.gz DMZAFZJUHQUJOI-UHFFFAOYSA-N 1 2 228.246 1.754 20 0 BDADLO CNc1cc(N2CCC(F)(F)CC2)[nH+]cn1 ZINC000405016190 343812267 /nfs/dbraw/zinc/81/22/67/343812267.db2.gz DMZAFZJUHQUJOI-UHFFFAOYSA-N 1 2 228.246 1.754 20 0 BDADLO CC[N@H+](Cc1noc(C2CCC2)n1)[C@@H](C)CO ZINC000625451746 343827742 /nfs/dbraw/zinc/82/77/42/343827742.db2.gz PJOBETBCKQUXOL-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@@H+](Cc1noc(C2CCC2)n1)[C@@H](C)CO ZINC000625451746 343827746 /nfs/dbraw/zinc/82/77/46/343827746.db2.gz PJOBETBCKQUXOL-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000387655470 346992511 /nfs/dbraw/zinc/99/25/11/346992511.db2.gz CUKSFEHLGHUKOJ-IWSPIJDZSA-N 1 2 207.277 1.633 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CCCOCC2)c1 ZINC000334279913 343854876 /nfs/dbraw/zinc/85/48/76/343854876.db2.gz VUVACOUAOLPPNT-UHFFFAOYSA-N 1 2 248.326 1.656 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CCCOCC2)c1 ZINC000334279913 343854878 /nfs/dbraw/zinc/85/48/78/343854878.db2.gz VUVACOUAOLPPNT-UHFFFAOYSA-N 1 2 248.326 1.656 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCc1[nH]cc[nH+]1 ZINC000625488720 343884606 /nfs/dbraw/zinc/88/46/06/343884606.db2.gz IQFAMQFMWOMOTJ-SECBINFHSA-N 1 2 225.292 1.231 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000625468138 343872564 /nfs/dbraw/zinc/87/25/64/343872564.db2.gz HEWVGFQTLJWREJ-UWVGGRQHSA-N 1 2 237.328 1.175 20 0 BDADLO COc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000625468138 343872565 /nfs/dbraw/zinc/87/25/65/343872565.db2.gz HEWVGFQTLJWREJ-UWVGGRQHSA-N 1 2 237.328 1.175 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC ZINC000402149686 349886931 /nfs/dbraw/zinc/88/69/31/349886931.db2.gz OPHAXLYKZNQYMX-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO COCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048350333 343898158 /nfs/dbraw/zinc/89/81/58/343898158.db2.gz BGSWJAWJLBANHQ-UHFFFAOYSA-N 1 2 247.298 1.377 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1(C2CC2)CCC1 ZINC000393633530 343904756 /nfs/dbraw/zinc/90/47/56/343904756.db2.gz SLXDOSITJQQOCI-UHFFFAOYSA-N 1 2 248.330 1.482 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1(C2CC2)CCC1 ZINC000393633530 343904758 /nfs/dbraw/zinc/90/47/58/343904758.db2.gz SLXDOSITJQQOCI-UHFFFAOYSA-N 1 2 248.330 1.482 20 0 BDADLO CC(C)c1nc(N2CC(O)(C(F)F)C2)cc[nH+]1 ZINC000425281527 192368383 /nfs/dbraw/zinc/36/83/83/192368383.db2.gz ZUIVYFHVRJUTBP-UHFFFAOYSA-N 1 2 243.257 1.416 20 0 BDADLO COC1CC(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000625513451 343915071 /nfs/dbraw/zinc/91/50/71/343915071.db2.gz JSVVAWOEAZOMLQ-UHFFFAOYSA-N 1 2 220.272 1.175 20 0 BDADLO CC(C)c1nc(NCC2(O)CCC2)cc[nH+]1 ZINC000393769106 343926965 /nfs/dbraw/zinc/92/69/65/343926965.db2.gz GDEYIZFPCYBRSL-UHFFFAOYSA-N 1 2 221.304 1.349 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C12CC(C1)C2 ZINC000626213056 347017042 /nfs/dbraw/zinc/01/70/42/347017042.db2.gz HMDBWOOISJPZEN-XQVHRTOBSA-N 1 2 231.299 1.183 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C12CC(C1)C2 ZINC000626213056 347017044 /nfs/dbraw/zinc/01/70/44/347017044.db2.gz HMDBWOOISJPZEN-XQVHRTOBSA-N 1 2 231.299 1.183 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000157147053 343928404 /nfs/dbraw/zinc/92/84/04/343928404.db2.gz NWDVJGBERGMNJS-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1 ZINC000157147053 343928405 /nfs/dbraw/zinc/92/84/05/343928405.db2.gz NWDVJGBERGMNJS-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO Cc1cc(NC(=O)N2CC(C)(C)C2)cc[nH+]1 ZINC000683947486 488249579 /nfs/dbraw/zinc/24/95/79/488249579.db2.gz ZKPCJKYHTBPPEG-UHFFFAOYSA-N 1 2 219.288 1.686 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC(F)(F)CC2)[nH]1 ZINC000625770827 344066483 /nfs/dbraw/zinc/06/64/83/344066483.db2.gz URMKBYRYEBVLDH-UHFFFAOYSA-N 1 2 232.234 1.132 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC(F)(F)CC2)[nH]1 ZINC000625770827 344066485 /nfs/dbraw/zinc/06/64/85/344066485.db2.gz URMKBYRYEBVLDH-UHFFFAOYSA-N 1 2 232.234 1.132 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000641241408 362301019 /nfs/dbraw/zinc/30/10/19/362301019.db2.gz CALIHTLLLLVAOU-RKDXNWHRSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000641241408 362301023 /nfs/dbraw/zinc/30/10/23/362301023.db2.gz CALIHTLLLLVAOU-RKDXNWHRSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000641241610 362301489 /nfs/dbraw/zinc/30/14/89/362301489.db2.gz KNIPEZWLLDIWKF-UWVGGRQHSA-N 1 2 219.288 1.066 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CC2(C)COC2)no1 ZINC000625788747 344073637 /nfs/dbraw/zinc/07/36/37/344073637.db2.gz ZNTUZBUJUQONJQ-UHFFFAOYSA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CC2(C)COC2)no1 ZINC000625788747 344073639 /nfs/dbraw/zinc/07/36/39/344073639.db2.gz ZNTUZBUJUQONJQ-UHFFFAOYSA-N 1 2 239.319 1.661 20 0 BDADLO Cc1nc(CCNc2cc(CO)cc[nH+]2)cs1 ZINC000641276810 362341560 /nfs/dbraw/zinc/34/15/60/362341560.db2.gz MUILLFGVHLFHMQ-UHFFFAOYSA-N 1 2 249.339 1.993 20 0 BDADLO C[C@H]1CCN(c2cccnn2)C[C@@H]1n1cc[nH+]c1 ZINC000584249169 344112029 /nfs/dbraw/zinc/11/20/29/344112029.db2.gz YSADBNVQOWDJJJ-RYUDHWBXSA-N 1 2 243.314 1.761 20 0 BDADLO CC[C@@H](F)C[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000331276151 187358605 /nfs/dbraw/zinc/35/86/05/187358605.db2.gz CLXVPRBBXZTFCD-SECBINFHSA-N 1 2 243.282 1.023 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000331276151 187358607 /nfs/dbraw/zinc/35/86/07/187358607.db2.gz CLXVPRBBXZTFCD-SECBINFHSA-N 1 2 243.282 1.023 20 0 BDADLO Cc1cncnc1NC[C@H](C)Cn1cc[nH+]c1 ZINC000641298860 362349373 /nfs/dbraw/zinc/34/93/73/362349373.db2.gz HQUDVVNIGMAWSP-JTQLQIEISA-N 1 2 231.303 1.152 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1CC=CC1 ZINC000077612756 344077328 /nfs/dbraw/zinc/07/73/28/344077328.db2.gz WOMREJXQUUMXCB-UHFFFAOYSA-N 1 2 231.299 1.576 20 0 BDADLO C[C@@H]1CC[C@@H](C(N)=O)CN1c1cc[nH+]cc1F ZINC000641299588 362350960 /nfs/dbraw/zinc/35/09/60/362350960.db2.gz OVGVFIDNXOQPGH-RKDXNWHRSA-N 1 2 237.278 1.311 20 0 BDADLO CSc1ccnc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000395253700 344133301 /nfs/dbraw/zinc/13/33/01/344133301.db2.gz ACFDOIYEWQDSTH-SECBINFHSA-N 1 2 249.343 1.896 20 0 BDADLO CN1CCCC[C@@H]([N@H+](C)Cc2ccon2)C1=O ZINC000634740061 344162313 /nfs/dbraw/zinc/16/23/13/344162313.db2.gz MZLRKOPCFOIJKA-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO CN1CCCC[C@@H]([N@@H+](C)Cc2ccon2)C1=O ZINC000634740061 344162315 /nfs/dbraw/zinc/16/23/15/344162315.db2.gz MZLRKOPCFOIJKA-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cnns2)CCO1 ZINC000634757856 344225713 /nfs/dbraw/zinc/22/57/13/344225713.db2.gz BSGAYQARSLUPDV-MRVPVSSYSA-N 1 2 249.286 1.394 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cnns2)CCO1 ZINC000634757856 344225714 /nfs/dbraw/zinc/22/57/14/344225714.db2.gz BSGAYQARSLUPDV-MRVPVSSYSA-N 1 2 249.286 1.394 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000634757951 344225769 /nfs/dbraw/zinc/22/57/69/344225769.db2.gz DYBVDZPMXWENLK-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000634757951 344225771 /nfs/dbraw/zinc/22/57/71/344225771.db2.gz DYBVDZPMXWENLK-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cc1cc(N[C@@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000127230842 344190037 /nfs/dbraw/zinc/19/00/37/344190037.db2.gz NBAXWXQTJMRHTQ-VHSXEESVSA-N 1 2 207.277 1.622 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C2CC(O)C2)o1 ZINC000408217205 344253232 /nfs/dbraw/zinc/25/32/32/344253232.db2.gz YDIJNNFHOHOAJI-UEJVZZJDSA-N 1 2 225.292 1.148 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C2CC(O)C2)o1 ZINC000408217205 344253234 /nfs/dbraw/zinc/25/32/34/344253234.db2.gz YDIJNNFHOHOAJI-UEJVZZJDSA-N 1 2 225.292 1.148 20 0 BDADLO Cc1nc(N2CC[C@@H](C3CCCC3)C2)nc(N)[nH+]1 ZINC000631310227 344262558 /nfs/dbraw/zinc/26/25/58/344262558.db2.gz VRLXAKPLTTWKSX-LLVKDONJSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C3CCCC3)C2)[nH+]1 ZINC000631310227 344262559 /nfs/dbraw/zinc/26/25/59/344262559.db2.gz VRLXAKPLTTWKSX-LLVKDONJSA-N 1 2 247.346 1.609 20 0 BDADLO CCC[C@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000631426208 344263703 /nfs/dbraw/zinc/26/37/03/344263703.db2.gz HKDCVPOETYGNFZ-SECBINFHSA-N 1 2 249.318 1.326 20 0 BDADLO CCc1nc(CSCCn2cc[nH+]c2)no1 ZINC000090200746 344267185 /nfs/dbraw/zinc/26/71/85/344267185.db2.gz CMPNSNBYPBDRKV-UHFFFAOYSA-N 1 2 238.316 1.762 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cn(C)cn1 ZINC000622083360 344290014 /nfs/dbraw/zinc/29/00/14/344290014.db2.gz BXMGVTJQAWUHBM-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)C[C@@H]1CCCO1 ZINC000092407848 344294894 /nfs/dbraw/zinc/29/48/94/344294894.db2.gz SYRBKCSBXCPMQB-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)C[C@@H]1CCCO1 ZINC000092407848 344294896 /nfs/dbraw/zinc/29/48/96/344294896.db2.gz SYRBKCSBXCPMQB-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000625869376 344241903 /nfs/dbraw/zinc/24/19/03/344241903.db2.gz KJSOXRFPMFZJLJ-NSHDSACASA-N 1 2 235.287 1.002 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000625869376 344241907 /nfs/dbraw/zinc/24/19/07/344241907.db2.gz KJSOXRFPMFZJLJ-NSHDSACASA-N 1 2 235.287 1.002 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000600614591 344336977 /nfs/dbraw/zinc/33/69/77/344336977.db2.gz KUIHCFYGMXYOCO-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OCC ZINC000600616484 344337911 /nfs/dbraw/zinc/33/79/11/344337911.db2.gz XDDGADXTHHVMGV-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO OCCO[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641379584 362383690 /nfs/dbraw/zinc/38/36/90/362383690.db2.gz IFBDLEKFFNDKMG-JTQLQIEISA-N 1 2 240.278 1.198 20 0 BDADLO C[C@](O)(CNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641370285 362379702 /nfs/dbraw/zinc/37/97/02/362379702.db2.gz DWWFPRFYAMVAQF-LBPRGKRZSA-N 1 2 222.288 1.147 20 0 BDADLO CCC[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641373092 362381511 /nfs/dbraw/zinc/38/15/11/362381511.db2.gz SUEWLGOYNXIRNV-SNVBAGLBSA-N 1 2 210.277 1.147 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641373054 362381535 /nfs/dbraw/zinc/38/15/35/362381535.db2.gz SFQGEXPBJLPSJA-MFKMUULPSA-N 1 2 238.331 1.783 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nc(CC)no2)C1 ZINC000672573724 488260375 /nfs/dbraw/zinc/26/03/75/488260375.db2.gz GJQGIKNBYTZXSV-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nc(CC)no2)C1 ZINC000672573724 488260376 /nfs/dbraw/zinc/26/03/76/488260376.db2.gz GJQGIKNBYTZXSV-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO CC(C)(C)C[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641384538 362385958 /nfs/dbraw/zinc/38/59/58/362385958.db2.gz YPWAKZJCRQJGQM-LLVKDONJSA-N 1 2 238.331 1.783 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1cnc(C)s1 ZINC000600863801 344383801 /nfs/dbraw/zinc/38/38/01/344383801.db2.gz PVTSSQUNIZKQOK-UHFFFAOYSA-N 1 2 238.360 1.686 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1cnc(C)s1 ZINC000600863801 344383804 /nfs/dbraw/zinc/38/38/04/344383804.db2.gz PVTSSQUNIZKQOK-UHFFFAOYSA-N 1 2 238.360 1.686 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1C1CCC(F)(F)CC1 ZINC000215715991 344396961 /nfs/dbraw/zinc/39/69/61/344396961.db2.gz FIVKCIGLTIOJJG-VIFPVBQESA-N 1 2 233.258 1.812 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1C1CCC(F)(F)CC1 ZINC000215715991 344396962 /nfs/dbraw/zinc/39/69/62/344396962.db2.gz FIVKCIGLTIOJJG-VIFPVBQESA-N 1 2 233.258 1.812 20 0 BDADLO O[C@@H]1CCCC[C@H]1CNc1cc[nH+]cc1F ZINC000641390526 362389574 /nfs/dbraw/zinc/38/95/74/362389574.db2.gz HHKAWXGGSWTSOW-JOYOIKCWSA-N 1 2 224.279 1.606 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCCC[C@@H]2O)c1 ZINC000641393372 362390773 /nfs/dbraw/zinc/39/07/73/362390773.db2.gz UXTINFLOEKFENW-NEPJUHHUSA-N 1 2 236.315 1.537 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000041053389 344416313 /nfs/dbraw/zinc/41/63/13/344416313.db2.gz FWIKESVIFWCROG-GHMZBOCLSA-N 1 2 229.320 1.487 20 0 BDADLO COc1ccc(C[N@H+](C)CC(C)=O)c(OC)c1 ZINC000258832722 344505219 /nfs/dbraw/zinc/50/52/19/344505219.db2.gz BOOTVRZRZKRRBO-UHFFFAOYSA-N 1 2 237.299 1.725 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(C)=O)c(OC)c1 ZINC000258832722 344505222 /nfs/dbraw/zinc/50/52/22/344505222.db2.gz BOOTVRZRZKRRBO-UHFFFAOYSA-N 1 2 237.299 1.725 20 0 BDADLO CCCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245315 344446969 /nfs/dbraw/zinc/44/69/69/344446969.db2.gz MAMWWYSBHMCAGJ-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCc1nc(C[NH2+]Cc2cncn2C)cs1 ZINC000107715614 344487583 /nfs/dbraw/zinc/48/75/83/344487583.db2.gz QJCUGQXEFFJRQW-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO CCOC[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641414813 362402176 /nfs/dbraw/zinc/40/21/76/362402176.db2.gz JHJOMIZLOACOJP-GFCCVEGCSA-N 1 2 236.315 1.437 20 0 BDADLO C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641406017 362397305 /nfs/dbraw/zinc/39/73/05/362397305.db2.gz LDTAKDKSBYBASN-PTRXPTGYSA-N 1 2 249.289 1.064 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000641439493 362420182 /nfs/dbraw/zinc/42/01/82/362420182.db2.gz DXIMEGWIAVSLND-XQQFMLRXSA-N 1 2 248.326 1.943 20 0 BDADLO COCCC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000641448530 362424830 /nfs/dbraw/zinc/42/48/30/362424830.db2.gz DUIJFMVTSLHKOW-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO CN(C[C@H]1CCC[C@@H]1O)c1cc(CO)cc[nH+]1 ZINC000641461131 362435366 /nfs/dbraw/zinc/43/53/66/362435366.db2.gz GUYDXDDJZFQEIK-NEPJUHHUSA-N 1 2 236.315 1.171 20 0 BDADLO CC(C)(O)[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641468498 362436852 /nfs/dbraw/zinc/43/68/52/362436852.db2.gz MQRSMXHVMTWADZ-LLVKDONJSA-N 1 2 236.315 1.314 20 0 BDADLO COCCCOCCN(C)c1cc[nH+]cc1F ZINC000641477654 362446177 /nfs/dbraw/zinc/44/61/77/362446177.db2.gz FIKGWXUPDLXNIR-UHFFFAOYSA-N 1 2 242.294 1.710 20 0 BDADLO O=C1CC[C@@H]2CN(c3cc[nH+]cc3F)CCN12 ZINC000641469679 362438154 /nfs/dbraw/zinc/43/81/54/362438154.db2.gz JONQAGYABMYEGF-SECBINFHSA-N 1 2 235.262 1.032 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1O ZINC000641465888 362438625 /nfs/dbraw/zinc/43/86/25/362438625.db2.gz QHTQSSGIVAEMSJ-LDYMZIIASA-N 1 2 210.252 1.428 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]cc2F)C[C@H]1O ZINC000641465883 362438815 /nfs/dbraw/zinc/43/88/15/362438815.db2.gz QHTQSSGIVAEMSJ-GZMMTYOYSA-N 1 2 210.252 1.428 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1c1cc(CO)cc[nH+]1 ZINC000641434858 362415225 /nfs/dbraw/zinc/41/52/25/362415225.db2.gz XPPLNWXLLJMVOU-NXEZZACHSA-N 1 2 206.289 1.951 20 0 BDADLO Cn1c(CNc2cc[nH+]cc2F)nnc1C1CC1 ZINC000641481756 362450033 /nfs/dbraw/zinc/45/00/33/362450033.db2.gz UVSGQWWVZUKBBA-UHFFFAOYSA-N 1 2 247.277 1.261 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1cc[nH+]cc1F ZINC000641504573 362468214 /nfs/dbraw/zinc/46/82/14/362468214.db2.gz ZAKQNYFKYIMOOO-NXEZZACHSA-N 1 2 210.252 1.214 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(F)n1 ZINC000049239329 344600495 /nfs/dbraw/zinc/60/04/95/344600495.db2.gz USYJFQGSZFMPHE-VIFPVBQESA-N 1 2 220.251 1.918 20 0 BDADLO O[C@H]1CN(c2cc[nH+]cc2F)CC(F)(F)C1 ZINC000641527788 362480926 /nfs/dbraw/zinc/48/09/26/362480926.db2.gz UHUUARAIZNLDMP-SSDOTTSWSA-N 1 2 232.205 1.427 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000049573387 344653940 /nfs/dbraw/zinc/65/39/40/344653940.db2.gz WNADTSCHOOXFQJ-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H]1CCCO1)C1CC1 ZINC000049573387 344653942 /nfs/dbraw/zinc/65/39/42/344653942.db2.gz WNADTSCHOOXFQJ-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000626002572 344663214 /nfs/dbraw/zinc/66/32/14/344663214.db2.gz QDBXDCHWMAUNJE-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000626002572 344663217 /nfs/dbraw/zinc/66/32/17/344663217.db2.gz QDBXDCHWMAUNJE-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000626002277 344663316 /nfs/dbraw/zinc/66/33/16/344663316.db2.gz KARHXNIPVZNYDG-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO FCC[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000626002277 344663319 /nfs/dbraw/zinc/66/33/19/344663319.db2.gz KARHXNIPVZNYDG-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1cc[nH]n1)C2 ZINC000626028543 344681335 /nfs/dbraw/zinc/68/13/35/344681335.db2.gz NHYONFDTFCNTJB-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000626028543 344681336 /nfs/dbraw/zinc/68/13/36/344681336.db2.gz NHYONFDTFCNTJB-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626006272 344665184 /nfs/dbraw/zinc/66/51/84/344665184.db2.gz UWUBFANGTOYPLT-NSHDSACASA-N 1 2 239.294 1.224 20 0 BDADLO Nc1ncccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626006272 344665185 /nfs/dbraw/zinc/66/51/85/344665185.db2.gz UWUBFANGTOYPLT-NSHDSACASA-N 1 2 239.294 1.224 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005075 344667159 /nfs/dbraw/zinc/66/71/59/344667159.db2.gz UVDNZHQEISNFEF-WDEREUQCSA-N 1 2 239.294 1.598 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@H](CCF)C1 ZINC000626005075 344667161 /nfs/dbraw/zinc/66/71/61/344667161.db2.gz UVDNZHQEISNFEF-WDEREUQCSA-N 1 2 239.294 1.598 20 0 BDADLO COc1cccc2c1CN(Cc1c[nH+]cn1C)C2 ZINC000626022427 344677505 /nfs/dbraw/zinc/67/75/05/344677505.db2.gz SMBJAMVUEGFODR-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO Cn1cc[nH+]c1CN1CCc2c(O)cccc2C1 ZINC000626026487 344678885 /nfs/dbraw/zinc/67/88/85/344678885.db2.gz MBFDLRZWXRGQQK-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CCN(C(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000570941984 323076050 /nfs/dbraw/zinc/07/60/50/323076050.db2.gz FORIXAFJSMBQHA-UHFFFAOYSA-N 1 2 224.308 1.692 20 0 BDADLO CCN(C(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000570941984 323076051 /nfs/dbraw/zinc/07/60/51/323076051.db2.gz FORIXAFJSMBQHA-UHFFFAOYSA-N 1 2 224.308 1.692 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC1(F)F ZINC000623032955 347068064 /nfs/dbraw/zinc/06/80/64/347068064.db2.gz BAMQPKPSNTXPOH-MRVPVSSYSA-N 1 2 229.230 1.045 20 0 BDADLO CC(C)[N@H+](C)Cc1nc([C@H]2CCCO2)no1 ZINC000408227632 344734065 /nfs/dbraw/zinc/73/40/65/344734065.db2.gz YEGCRCQXDVRZMG-SECBINFHSA-N 1 2 225.292 1.761 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc([C@H]2CCCO2)no1 ZINC000408227632 344734066 /nfs/dbraw/zinc/73/40/66/344734066.db2.gz YEGCRCQXDVRZMG-SECBINFHSA-N 1 2 225.292 1.761 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626047072 344698387 /nfs/dbraw/zinc/69/83/87/344698387.db2.gz BUPYCEFODQPUNG-XHNCKOQMSA-N 1 2 227.333 1.302 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626047072 344698388 /nfs/dbraw/zinc/69/83/88/344698388.db2.gz BUPYCEFODQPUNG-XHNCKOQMSA-N 1 2 227.333 1.302 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000050048383 344717061 /nfs/dbraw/zinc/71/70/61/344717061.db2.gz IPZRMRWMYGKPJZ-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000050048383 344717064 /nfs/dbraw/zinc/71/70/64/344717064.db2.gz IPZRMRWMYGKPJZ-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCCC1)C1CC1 ZINC000560522659 344767373 /nfs/dbraw/zinc/76/73/73/344767373.db2.gz ZGJDFKXRHJRHOT-NSHDSACASA-N 1 2 248.330 1.677 20 0 BDADLO CN1CC2(C[NH+](CC(C)(C)C)C2)OC1=O ZINC000496315436 530047320 /nfs/dbraw/zinc/04/73/20/530047320.db2.gz UXLRLZCMRPPIMS-UHFFFAOYSA-N 1 2 212.293 1.169 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C)no2)CCS1 ZINC000076072891 344794223 /nfs/dbraw/zinc/79/42/23/344794223.db2.gz TYWWJEGPPXIBKK-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C)no2)CCS1 ZINC000076072891 344794224 /nfs/dbraw/zinc/79/42/24/344794224.db2.gz TYWWJEGPPXIBKK-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO CC(C)COCCCNC(=O)Cn1cc[nH+]c1 ZINC000076829960 344806934 /nfs/dbraw/zinc/80/69/34/344806934.db2.gz HNAMTAZUTBDASW-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000560540014 344815589 /nfs/dbraw/zinc/81/55/89/344815589.db2.gz UUPRYOXUDSIZAV-ADEWGFFLSA-N 1 2 248.330 1.408 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000077318202 344816471 /nfs/dbraw/zinc/81/64/71/344816471.db2.gz NQFFUKBQPDBCAH-VGZKNDNBSA-N 1 2 243.294 1.780 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(F)(F)F ZINC000077318202 344816473 /nfs/dbraw/zinc/81/64/73/344816473.db2.gz NQFFUKBQPDBCAH-VGZKNDNBSA-N 1 2 243.294 1.780 20 0 BDADLO CC[N@@H+](Cc1nc(C)c[nH]1)C[C@H]1CCCO1 ZINC000628152464 344841209 /nfs/dbraw/zinc/84/12/09/344841209.db2.gz BYSMIJYBKLJBDS-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO CC[N@H+](Cc1nc(C)c[nH]1)C[C@H]1CCCO1 ZINC000628152464 344841210 /nfs/dbraw/zinc/84/12/10/344841210.db2.gz BYSMIJYBKLJBDS-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC=CCC1 ZINC000077537313 344821838 /nfs/dbraw/zinc/82/18/38/344821838.db2.gz DXARLTDNIZTHOY-NEPJUHHUSA-N 1 2 248.330 1.680 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC=CCC1 ZINC000077537316 344822055 /nfs/dbraw/zinc/82/20/55/344822055.db2.gz DXARLTDNIZTHOY-NWDGAFQWSA-N 1 2 248.330 1.680 20 0 BDADLO CC[C@@H]1COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628146608 344825677 /nfs/dbraw/zinc/82/56/77/344825677.db2.gz UDLLBZFGIGYIRD-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@@H](C)O1 ZINC000628155315 344846738 /nfs/dbraw/zinc/84/67/38/344846738.db2.gz WCJIUJRONZNMED-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nc(NCC(C)(C)C[C@@H](C)O)cc[nH+]1 ZINC000078339726 344850318 /nfs/dbraw/zinc/85/03/18/344850318.db2.gz VCXCRMNATMPMDY-SECBINFHSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000628163314 344864905 /nfs/dbraw/zinc/86/49/05/344864905.db2.gz XCQGEESZFKYDAO-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000628163314 344864908 /nfs/dbraw/zinc/86/49/08/344864908.db2.gz XCQGEESZFKYDAO-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO CC(C)c1nc(NCCc2nnc[nH]2)cc[nH+]1 ZINC000153565128 344905256 /nfs/dbraw/zinc/90/52/56/344905256.db2.gz NWAXAOCHZRBQLP-UHFFFAOYSA-N 1 2 232.291 1.373 20 0 BDADLO C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C(F)(F)F ZINC000582127738 344913376 /nfs/dbraw/zinc/91/33/76/344913376.db2.gz HIERGAJQZBXSGD-ZCFIWIBFSA-N 1 2 249.236 1.959 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000583438259 344959081 /nfs/dbraw/zinc/95/90/81/344959081.db2.gz ADFUVRUZEPTYKR-SNVBAGLBSA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000583438259 344959083 /nfs/dbraw/zinc/95/90/83/344959083.db2.gz ADFUVRUZEPTYKR-SNVBAGLBSA-N 1 2 227.333 1.537 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](OCC(C)C)C2)n1 ZINC000628191030 344944483 /nfs/dbraw/zinc/94/44/83/344944483.db2.gz XRBIMIDKMOQFTP-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)n1 ZINC000628191030 344944484 /nfs/dbraw/zinc/94/44/84/344944484.db2.gz XRBIMIDKMOQFTP-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO OCc1cc[nH+]c(N2CCC3(CCOC3)CC2)c1 ZINC000641554644 362498560 /nfs/dbraw/zinc/49/85/60/362498560.db2.gz VVFRWHOOLNUSBW-UHFFFAOYSA-N 1 2 248.326 1.581 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccc(C)nc2)CCO1 ZINC000153925170 345002874 /nfs/dbraw/zinc/00/28/74/345002874.db2.gz GOPGGOJAIIUVCC-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCO1 ZINC000153925170 345002875 /nfs/dbraw/zinc/00/28/75/345002875.db2.gz GOPGGOJAIIUVCC-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000641560873 362501162 /nfs/dbraw/zinc/50/11/62/362501162.db2.gz IBGMJRSTOPTUJE-CHWSQXEVSA-N 1 2 248.326 1.722 20 0 BDADLO CC1(C)SC[C@@H]1Nc1cc[nH+]cc1F ZINC000641560028 362505723 /nfs/dbraw/zinc/50/57/23/362505723.db2.gz XEYQWCWIDHSMKX-VIFPVBQESA-N 1 2 212.293 1.949 20 0 BDADLO CC[C@H](Nc1cc(CO)cc[nH+]1)[C@@H](C)O ZINC000641620990 362553088 /nfs/dbraw/zinc/55/30/88/362553088.db2.gz KAQWPKLNMCTVQN-SCZZXKLOSA-N 1 2 210.277 1.145 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCCCC[C@H]2O)c1 ZINC000641599181 362540541 /nfs/dbraw/zinc/54/05/41/362540541.db2.gz PPBWBOBQYDDSAQ-VXGBXAGGSA-N 1 2 236.315 1.679 20 0 BDADLO C[C@@H]1OCC[C@H]1SCc1cn(C)c[nH+]1 ZINC000603324908 349923389 /nfs/dbraw/zinc/92/33/89/349923389.db2.gz IZQZJLGUDLXARO-WCBMZHEXSA-N 1 2 212.318 1.831 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000235252818 537886226 /nfs/dbraw/zinc/88/62/26/537886226.db2.gz KIAJBIAAXAPWEQ-NTSWFWBYSA-N 1 2 230.699 1.284 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000235252818 537886233 /nfs/dbraw/zinc/88/62/33/537886233.db2.gz KIAJBIAAXAPWEQ-NTSWFWBYSA-N 1 2 230.699 1.284 20 0 BDADLO C[C@H]1[C@@H](CO)CCCN1c1cc[nH+]cc1F ZINC000641639746 362567637 /nfs/dbraw/zinc/56/76/37/362567637.db2.gz XANQQFMRXNNMLY-VHSXEESVSA-N 1 2 224.279 1.818 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000080233370 345122144 /nfs/dbraw/zinc/12/21/44/345122144.db2.gz WICYXSYAGSMMAC-LLVKDONJSA-N 1 2 249.358 1.981 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)nc1 ZINC000156054887 345122209 /nfs/dbraw/zinc/12/22/09/345122209.db2.gz GXDLPAZQQFQFRC-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)nc1 ZINC000156054887 345122210 /nfs/dbraw/zinc/12/22/10/345122210.db2.gz GXDLPAZQQFQFRC-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641649831 362576990 /nfs/dbraw/zinc/57/69/90/362576990.db2.gz LOWDPKABWPCGDU-BXKDBHETSA-N 1 2 226.295 1.852 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155749139 345100855 /nfs/dbraw/zinc/10/08/55/345100855.db2.gz LVXAVDQBSDFDIO-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155797733 345104217 /nfs/dbraw/zinc/10/42/17/345104217.db2.gz VVJAPEMBGGTXTL-LLVKDONJSA-N 1 2 235.331 1.608 20 0 BDADLO Cc1cc(C)c(CNc2ncncc2C)c[nH+]1 ZINC000641623434 362555391 /nfs/dbraw/zinc/55/53/91/362555391.db2.gz KDTCYPHVLNQNPW-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO C[C@H]1CC[C@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641627320 362556788 /nfs/dbraw/zinc/55/67/88/362556788.db2.gz MUGXPFRCNDZOSJ-GXSJLCMTSA-N 1 2 222.288 1.553 20 0 BDADLO Cc1cnc(CCNc2cc[nH+]cc2F)cn1 ZINC000641625858 362557989 /nfs/dbraw/zinc/55/79/89/362557989.db2.gz AZLALLDFNPFTDB-UHFFFAOYSA-N 1 2 232.262 1.396 20 0 BDADLO CO[C@H]([C@@H](C)Nc1cc(CO)cc[nH+]1)C1CC1 ZINC000641630094 362560824 /nfs/dbraw/zinc/56/08/24/362560824.db2.gz RQHAFDBEEUHRJO-NOZJJQNGSA-N 1 2 236.315 1.799 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000634987293 345169164 /nfs/dbraw/zinc/16/91/64/345169164.db2.gz QZBCDQBKAXRTTC-MFKMUULPSA-N 1 2 232.283 1.886 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)[C@@H](O)C(F)(F)F ZINC000634988024 345170419 /nfs/dbraw/zinc/17/04/19/345170419.db2.gz KOYZZFOKXAKSGU-IYSWYEEDSA-N 1 2 224.182 1.076 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000156151414 345133410 /nfs/dbraw/zinc/13/34/10/345133410.db2.gz UJRZADVLLXKOIF-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cccnc2)[nH+]1 ZINC000635064984 345236110 /nfs/dbraw/zinc/23/61/10/345236110.db2.gz DVMAUDFCWNDXJR-UHFFFAOYSA-N 1 2 230.271 1.548 20 0 BDADLO COC[C@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635079807 345242868 /nfs/dbraw/zinc/24/28/68/345242868.db2.gz YOXMEHDXTUBERM-JTQLQIEISA-N 1 2 247.298 1.407 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635125026 345252916 /nfs/dbraw/zinc/25/29/16/345252916.db2.gz FFVKQYYUYNJMHN-FXBDTBDDSA-N 1 2 219.288 1.428 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635125026 345252917 /nfs/dbraw/zinc/25/29/17/345252917.db2.gz FFVKQYYUYNJMHN-FXBDTBDDSA-N 1 2 219.288 1.428 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000408468019 345317438 /nfs/dbraw/zinc/31/74/38/345317438.db2.gz PIIARFJBPXHVKS-WPRPVWTQSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000408468019 345317442 /nfs/dbraw/zinc/31/74/42/345317442.db2.gz PIIARFJBPXHVKS-WPRPVWTQSA-N 1 2 224.308 1.285 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000130218067 345270255 /nfs/dbraw/zinc/27/02/55/345270255.db2.gz KBKQLIVXNYOQHQ-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000130218067 345270257 /nfs/dbraw/zinc/27/02/57/345270257.db2.gz KBKQLIVXNYOQHQ-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2CCC2)[nH+]1 ZINC000635267783 345291378 /nfs/dbraw/zinc/29/13/78/345291378.db2.gz UORDJSZSKFDVMP-UHFFFAOYSA-N 1 2 221.304 1.431 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cc(C)ccn2)[nH+]1 ZINC000635336238 345311892 /nfs/dbraw/zinc/31/18/92/345311892.db2.gz GAZAPFGVFYIPMQ-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000408465046 345312573 /nfs/dbraw/zinc/31/25/73/345312573.db2.gz HTUQZLVLZBMUTD-SCZZXKLOSA-N 1 2 224.308 1.285 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000408465046 345312574 /nfs/dbraw/zinc/31/25/74/345312574.db2.gz HTUQZLVLZBMUTD-SCZZXKLOSA-N 1 2 224.308 1.285 20 0 BDADLO CC(C)COC[C@@H](O)CNc1cccc[nH+]1 ZINC000301534671 187302544 /nfs/dbraw/zinc/30/25/44/187302544.db2.gz QJJFAMCSKCWFMA-NSHDSACASA-N 1 2 224.304 1.527 20 0 BDADLO CCc1nnc(C[N@H+](C)CCSC)[nH]1 ZINC000158943324 345390147 /nfs/dbraw/zinc/39/01/47/345390147.db2.gz QIDYKKMIHJACKO-UHFFFAOYSA-N 1 2 214.338 1.162 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCSC)[nH]1 ZINC000158943324 345390150 /nfs/dbraw/zinc/39/01/50/345390150.db2.gz QIDYKKMIHJACKO-UHFFFAOYSA-N 1 2 214.338 1.162 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635467277 345384613 /nfs/dbraw/zinc/38/46/13/345384613.db2.gz KRLZBIYNSXPWSP-OPRDCNLKSA-N 1 2 219.288 1.382 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635467277 345384615 /nfs/dbraw/zinc/38/46/15/345384615.db2.gz KRLZBIYNSXPWSP-OPRDCNLKSA-N 1 2 219.288 1.382 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](C)C2)[nH+]1 ZINC000635467681 345385014 /nfs/dbraw/zinc/38/50/14/345385014.db2.gz VYWQQASPQRFWAK-SECBINFHSA-N 1 2 221.304 1.383 20 0 BDADLO CCc1ccc(-c2noc([C@@H]([NH3+])COC)n2)cc1 ZINC000159334744 345425554 /nfs/dbraw/zinc/42/55/54/345425554.db2.gz URNAOMKMAYTRGW-NSHDSACASA-N 1 2 247.298 1.945 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)CO)[nH+]1 ZINC000080945956 345453914 /nfs/dbraw/zinc/45/39/14/345453914.db2.gz PNBFPKJHDJWLRD-ZCFIWIBFSA-N 1 2 206.249 1.059 20 0 BDADLO CCc1nsc(N2CC[NH+](C3CC3)CC2)n1 ZINC000080786861 345447373 /nfs/dbraw/zinc/44/73/73/345447373.db2.gz HBOZYZKZEXTQQI-UHFFFAOYSA-N 1 2 238.360 1.385 20 0 BDADLO CCN(CCO)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080762368 345449435 /nfs/dbraw/zinc/44/94/35/345449435.db2.gz SDMSCLWZSJVKHN-UHFFFAOYSA-N 1 2 220.276 1.085 20 0 BDADLO CN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635484884 345393416 /nfs/dbraw/zinc/39/34/16/345393416.db2.gz FGIRCSFHINVADR-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635484884 345393418 /nfs/dbraw/zinc/39/34/18/345393418.db2.gz FGIRCSFHINVADR-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@@H]2C2CC2)[nH+]1 ZINC000635494544 345398192 /nfs/dbraw/zinc/39/81/92/345398192.db2.gz DUZKAKVEKKKTIX-GFCCVEGCSA-N 1 2 247.342 1.916 20 0 BDADLO CC(C)(C)OCCCNc1cc(CO)cc[nH+]1 ZINC000641660158 362585951 /nfs/dbraw/zinc/58/59/51/362585951.db2.gz XIFWOSVTLSUBDT-UHFFFAOYSA-N 1 2 238.331 1.613 20 0 BDADLO CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000082276023 345500728 /nfs/dbraw/zinc/50/07/28/345500728.db2.gz ZICWITQRSDTECM-SECBINFHSA-N 1 2 222.292 1.142 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccco1)C1CC1 ZINC000082277778 345501256 /nfs/dbraw/zinc/50/12/56/345501256.db2.gz UVPGOTZJGQARNP-LLVKDONJSA-N 1 2 245.282 1.894 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@@]1(C)CO ZINC000641667917 362588040 /nfs/dbraw/zinc/58/80/40/362588040.db2.gz AWWMKIWBQRBBQA-SKDRFNHKSA-N 1 2 224.279 1.675 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]cc2F)C[C@H]1CO ZINC000641674510 362592359 /nfs/dbraw/zinc/59/23/59/362592359.db2.gz ZLRYIOUOZLNHKG-UWVGGRQHSA-N 1 2 224.279 1.675 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)[C@H](C)CO)[nH+]1 ZINC000081003973 345459058 /nfs/dbraw/zinc/45/90/58/345459058.db2.gz DOTASLXTDNBIEV-SFYZADRCSA-N 1 2 234.303 1.695 20 0 BDADLO C[C@@H]1CCC[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000081453299 345475202 /nfs/dbraw/zinc/47/52/02/345475202.db2.gz DBLPKWCIAZUXIR-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO CC(C)[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091577990 345598246 /nfs/dbraw/zinc/59/82/46/345598246.db2.gz MSVZLHQUIJIJTJ-JTQLQIEISA-N 1 2 238.335 1.356 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091577990 345598247 /nfs/dbraw/zinc/59/82/47/345598247.db2.gz MSVZLHQUIJIJTJ-JTQLQIEISA-N 1 2 238.335 1.356 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1C=CCCC1 ZINC000137311147 345604831 /nfs/dbraw/zinc/60/48/31/345604831.db2.gz MMTQMVUFSHOVBE-JTQLQIEISA-N 1 2 205.261 1.108 20 0 BDADLO Cc1ncccc1N(C)C(=O)Cc1c[nH+]cn1C ZINC000622624994 345605395 /nfs/dbraw/zinc/60/53/95/345605395.db2.gz IJMLEXAXEZPUKX-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc(N(C)C)s1 ZINC000091814939 345610719 /nfs/dbraw/zinc/61/07/19/345610719.db2.gz IUKWRWHPLVUJDE-VIFPVBQESA-N 1 2 241.360 1.430 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc(N(C)C)s1 ZINC000091814939 345610722 /nfs/dbraw/zinc/61/07/22/345610722.db2.gz IUKWRWHPLVUJDE-VIFPVBQESA-N 1 2 241.360 1.430 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000092373883 345617901 /nfs/dbraw/zinc/61/79/01/345617901.db2.gz BIWKUUCNUXZKIQ-NXEZZACHSA-N 1 2 220.272 1.754 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccn(C)c1 ZINC000092399527 345618672 /nfs/dbraw/zinc/61/86/72/345618672.db2.gz TYUNPHYFLPBZCL-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccn(C)c1 ZINC000092399527 345618675 /nfs/dbraw/zinc/61/86/75/345618675.db2.gz TYUNPHYFLPBZCL-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C)cc[nH+]1 ZINC000092447750 345620237 /nfs/dbraw/zinc/62/02/37/345620237.db2.gz FRHXLLBAIKSSLL-GXSJLCMTSA-N 1 2 220.272 1.754 20 0 BDADLO CC(C)N1CCC[C@@H](n2cc[nH+]c2)C1=O ZINC000179312797 187308311 /nfs/dbraw/zinc/30/83/11/187308311.db2.gz KZQRZTLJGXAZOO-SNVBAGLBSA-N 1 2 207.277 1.455 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)Cc1occc1C ZINC000093816176 345665540 /nfs/dbraw/zinc/66/55/40/345665540.db2.gz QJKYBCSSVCGTEW-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)Cc1occc1C ZINC000093816176 345665541 /nfs/dbraw/zinc/66/55/41/345665541.db2.gz QJKYBCSSVCGTEW-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO O[C@@]12C[C@@H]1CN(c1[nH+]ccc3ccccc31)C2 ZINC000641711155 362620829 /nfs/dbraw/zinc/62/08/29/362620829.db2.gz GMAPZFAJPARTPU-BXUZGUMPSA-N 1 2 226.279 1.806 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccnc1C ZINC000093323615 345652865 /nfs/dbraw/zinc/65/28/65/345652865.db2.gz GGLBAFXLHDVLBW-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1C ZINC000093323615 345652867 /nfs/dbraw/zinc/65/28/67/345652867.db2.gz GGLBAFXLHDVLBW-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)c2cccnc2)[nH+]1 ZINC000635554994 345698438 /nfs/dbraw/zinc/69/84/38/345698438.db2.gz VXUXNWIRMZAYCQ-UHFFFAOYSA-N 1 2 244.298 1.573 20 0 BDADLO CC(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000215614241 345742876 /nfs/dbraw/zinc/74/28/76/345742876.db2.gz NQUHQPDFZLKFBH-LBPRGKRZSA-N 1 2 235.331 1.778 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N(C)C)cc2n1C ZINC000225971080 345751318 /nfs/dbraw/zinc/75/13/18/345751318.db2.gz ZBHIGITWQQSUOV-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(CO)o2)on1 ZINC000082738117 345715338 /nfs/dbraw/zinc/71/53/38/345715338.db2.gz SZCOOVNHVIQYBZ-UHFFFAOYSA-N 1 2 222.244 1.358 20 0 BDADLO COc1ncccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140818597 345823000 /nfs/dbraw/zinc/82/30/00/345823000.db2.gz NHEUAAYGQYYDJW-MRVPVSSYSA-N 1 2 246.270 1.304 20 0 BDADLO Cc1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1O ZINC000139755301 345801659 /nfs/dbraw/zinc/80/16/59/345801659.db2.gz SJLHQQUAAGWYTA-SECBINFHSA-N 1 2 245.282 1.915 20 0 BDADLO c1nc(NC[C@@H]2CC23CC3)cc(NCC2CC2)[nH+]1 ZINC000418986055 192091612 /nfs/dbraw/zinc/09/16/12/192091612.db2.gz FZFIJWZCZZTUAN-NSHDSACASA-N 1 2 244.342 1.932 20 0 BDADLO c1nc(NCC2CC2)cc(NC[C@@H]2CC23CC3)[nH+]1 ZINC000418986055 192091614 /nfs/dbraw/zinc/09/16/14/192091614.db2.gz FZFIJWZCZZTUAN-NSHDSACASA-N 1 2 244.342 1.932 20 0 BDADLO O=C(N[C@H]1CCSC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635617845 345895185 /nfs/dbraw/zinc/89/51/85/345895185.db2.gz MABMCWNMUOKRKM-DJLDLDEBSA-N 1 2 237.328 1.135 20 0 BDADLO O=C(N[C@H]1CCSC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635617845 345895189 /nfs/dbraw/zinc/89/51/89/345895189.db2.gz MABMCWNMUOKRKM-DJLDLDEBSA-N 1 2 237.328 1.135 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC2CC2)[nH+]1 ZINC000635618062 345895445 /nfs/dbraw/zinc/89/54/45/345895445.db2.gz ORMWRPLVTBJYTH-UHFFFAOYSA-N 1 2 221.304 1.431 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(C[C@@H]2CCCO2)no1 ZINC000350406893 537916375 /nfs/dbraw/zinc/91/63/75/537916375.db2.gz BUBIVOIHIFALFF-JTQLQIEISA-N 1 2 248.286 1.115 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)nc1 ZINC000335941897 345896465 /nfs/dbraw/zinc/89/64/65/345896465.db2.gz WQOHBJNWNWUHJY-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)nc1 ZINC000335941897 345896467 /nfs/dbraw/zinc/89/64/67/345896467.db2.gz WQOHBJNWNWUHJY-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000449258367 201851741 /nfs/dbraw/zinc/85/17/41/201851741.db2.gz PEYLYDJFMDGEEI-GUBZILKMSA-N 1 2 231.361 1.669 20 0 BDADLO CC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000144982359 345927519 /nfs/dbraw/zinc/92/75/19/345927519.db2.gz FVZQPYGTBOUJBY-UHFFFAOYSA-N 1 2 204.273 1.355 20 0 BDADLO CC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000144982359 345927522 /nfs/dbraw/zinc/92/75/22/345927522.db2.gz FVZQPYGTBOUJBY-UHFFFAOYSA-N 1 2 204.273 1.355 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC000635627732 345900573 /nfs/dbraw/zinc/90/05/73/345900573.db2.gz BFULQKQRBVLKLT-GWOFURMSSA-N 1 2 233.315 1.628 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC000635627732 345900575 /nfs/dbraw/zinc/90/05/75/345900575.db2.gz BFULQKQRBVLKLT-GWOFURMSSA-N 1 2 233.315 1.628 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@H](C)C2)[nH+]1 ZINC000635627900 345900700 /nfs/dbraw/zinc/90/07/00/345900700.db2.gz DONQDFIFBZBYPF-NXEZZACHSA-N 1 2 235.331 1.629 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(CC)CCC2)[nH+]1 ZINC000635645263 345920884 /nfs/dbraw/zinc/92/08/84/345920884.db2.gz MLOQDOYQGMKDFJ-UHFFFAOYSA-N 1 2 235.331 1.964 20 0 BDADLO CSCC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000291099475 345937399 /nfs/dbraw/zinc/93/73/99/345937399.db2.gz BJEIXFFZMBKMPS-UHFFFAOYSA-N 1 2 241.360 1.426 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1C ZINC000623081788 345944455 /nfs/dbraw/zinc/94/44/55/345944455.db2.gz FOXKLOYYUOAUCN-HTQZYQBOSA-N 1 2 206.245 1.685 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H]3CCC[C@H]3C2)[nH+]1 ZINC000635673224 345971294 /nfs/dbraw/zinc/97/12/94/345971294.db2.gz FYLYRJZUXPVMHS-QWRGUYRKSA-N 1 2 247.342 1.773 20 0 BDADLO CCOC(=O)CCC[N@@H+]1Cc2cccnc2C1 ZINC000585716572 345981026 /nfs/dbraw/zinc/98/10/26/345981026.db2.gz MHCHBVUVMBLWBI-UHFFFAOYSA-N 1 2 234.299 1.741 20 0 BDADLO CCOC(=O)CCC[N@H+]1Cc2cccnc2C1 ZINC000585716572 345981032 /nfs/dbraw/zinc/98/10/32/345981032.db2.gz MHCHBVUVMBLWBI-UHFFFAOYSA-N 1 2 234.299 1.741 20 0 BDADLO C[C@@H]1OCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000635702096 345989988 /nfs/dbraw/zinc/98/99/88/345989988.db2.gz VKLNEMKMRIIASH-UKKRHICBSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H]1OCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000635702096 345989990 /nfs/dbraw/zinc/98/99/90/345989990.db2.gz VKLNEMKMRIIASH-UKKRHICBSA-N 1 2 249.314 1.149 20 0 BDADLO CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635767062 346058184 /nfs/dbraw/zinc/05/81/84/346058184.db2.gz YTKPFTQYQDLVSH-NXEZZACHSA-N 1 2 237.303 1.008 20 0 BDADLO CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635767062 346058188 /nfs/dbraw/zinc/05/81/88/346058188.db2.gz YTKPFTQYQDLVSH-NXEZZACHSA-N 1 2 237.303 1.008 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000153816543 537933961 /nfs/dbraw/zinc/93/39/61/537933961.db2.gz HNQITLNHBKNZFE-STQMWFEESA-N 1 2 247.342 1.922 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000673647718 488300021 /nfs/dbraw/zinc/30/00/21/488300021.db2.gz LOKBVXJARDMCLL-VIFPVBQESA-N 1 2 207.277 1.045 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC23CCCC3)[nH+]1 ZINC000635855763 346091739 /nfs/dbraw/zinc/09/17/39/346091739.db2.gz RFBBIXWEOFKIQM-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO O=C(N[C@@H]1CC12CCCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635856017 346091875 /nfs/dbraw/zinc/09/18/75/346091875.db2.gz TXYJLYJWMVQPOV-CKYFFXLPSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(N[C@@H]1CC12CCCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635856017 346091877 /nfs/dbraw/zinc/09/18/77/346091877.db2.gz TXYJLYJWMVQPOV-CKYFFXLPSA-N 1 2 245.326 1.962 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCCF ZINC000586771771 346093707 /nfs/dbraw/zinc/09/37/07/346093707.db2.gz UYHKBAXTYUWAIH-IUCAKERBSA-N 1 2 221.247 1.322 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCCF ZINC000586771771 346093710 /nfs/dbraw/zinc/09/37/10/346093710.db2.gz UYHKBAXTYUWAIH-IUCAKERBSA-N 1 2 221.247 1.322 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC=CCC2)[nH+]1 ZINC000635779315 346063434 /nfs/dbraw/zinc/06/34/34/346063434.db2.gz KJOSVWOGEXNYOP-UHFFFAOYSA-N 1 2 219.288 1.303 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]1C(F)F ZINC000635990296 346141410 /nfs/dbraw/zinc/14/14/10/346141410.db2.gz NFNROONJAMJOEE-ZXFLCMHBSA-N 1 2 241.241 1.379 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]1C(F)F ZINC000635990296 346141413 /nfs/dbraw/zinc/14/14/13/346141413.db2.gz NFNROONJAMJOEE-ZXFLCMHBSA-N 1 2 241.241 1.379 20 0 BDADLO COCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000635910204 346107595 /nfs/dbraw/zinc/10/75/95/346107595.db2.gz YURKTCIVGIBXJB-NXEZZACHSA-N 1 2 249.314 1.199 20 0 BDADLO COCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000635910204 346107598 /nfs/dbraw/zinc/10/75/98/346107598.db2.gz YURKTCIVGIBXJB-NXEZZACHSA-N 1 2 249.314 1.199 20 0 BDADLO CON(C)C(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000149389315 346107862 /nfs/dbraw/zinc/10/78/62/346107862.db2.gz JPFFYWGOZDJGLN-UHFFFAOYSA-N 1 2 249.314 1.318 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)[C@@H](C)OC)[nH+]1 ZINC000635945065 346118814 /nfs/dbraw/zinc/11/88/14/346118814.db2.gz CMPWQFMIXLFQPS-RKDXNWHRSA-N 1 2 239.319 1.054 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000635967297 346126497 /nfs/dbraw/zinc/12/64/97/346126497.db2.gz YKUPERKZXJZGIT-UTINFBMNSA-N 1 2 219.288 1.380 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000635967297 346126501 /nfs/dbraw/zinc/12/65/01/346126501.db2.gz YKUPERKZXJZGIT-UTINFBMNSA-N 1 2 219.288 1.380 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)F ZINC000635972222 346128523 /nfs/dbraw/zinc/12/85/23/346128523.db2.gz AYTOHRIMGHHNPM-BWZBUEFSSA-N 1 2 243.257 1.673 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)F ZINC000635972222 346128524 /nfs/dbraw/zinc/12/85/24/346128524.db2.gz AYTOHRIMGHHNPM-BWZBUEFSSA-N 1 2 243.257 1.673 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000193962120 187315907 /nfs/dbraw/zinc/31/59/07/187315907.db2.gz RXSARRYOSQTKHC-MNOVXSKESA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000193962120 187315909 /nfs/dbraw/zinc/31/59/09/187315909.db2.gz RXSARRYOSQTKHC-MNOVXSKESA-N 1 2 221.304 1.593 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1[nH]cnc1C ZINC000635957602 346132233 /nfs/dbraw/zinc/13/22/33/346132233.db2.gz KOAUCRVSVMVKHI-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO Cc1cc(N[C@H]2C[C@@](C)(O)C2)nc(C(C)C)[nH+]1 ZINC000419005072 192097610 /nfs/dbraw/zinc/09/76/10/192097610.db2.gz RNNSZILVXUJWDC-GSJFWJNXSA-N 1 2 235.331 1.656 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H]2C2CC2)[nH+]1 ZINC000635980012 346145786 /nfs/dbraw/zinc/14/57/86/346145786.db2.gz HZBFLFSQLGIJMR-NSHDSACASA-N 1 2 233.315 1.526 20 0 BDADLO CC1(C)COC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635998251 346150076 /nfs/dbraw/zinc/15/00/76/346150076.db2.gz DIANUIAEXGLPAF-KKZNHRDASA-N 1 2 249.314 1.054 20 0 BDADLO CC1(C)COC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635998251 346150078 /nfs/dbraw/zinc/15/00/78/346150078.db2.gz DIANUIAEXGLPAF-KKZNHRDASA-N 1 2 249.314 1.054 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000577078143 365807819 /nfs/dbraw/zinc/80/78/19/365807819.db2.gz ZGMOQYVSZJKHEY-SNVBAGLBSA-N 1 2 246.314 1.269 20 0 BDADLO CC(C)=C(C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000636015662 346156530 /nfs/dbraw/zinc/15/65/30/346156530.db2.gz NARXFEJVASLJFE-UHFFFAOYSA-N 1 2 235.331 1.825 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](O)CC(F)(F)C2)[nH+]c1C ZINC000628248135 346215522 /nfs/dbraw/zinc/21/55/22/346215522.db2.gz CKSUJICXHMEINR-VIFPVBQESA-N 1 2 245.273 1.228 20 0 BDADLO CCc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)nc[nH+]1 ZINC000603390694 349944025 /nfs/dbraw/zinc/94/40/25/349944025.db2.gz YSJFZNLIUUCQSG-LLVKDONJSA-N 1 2 248.330 1.460 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](O)C(C)(C)C2)[nH+]c1C ZINC000628254737 346237488 /nfs/dbraw/zinc/23/74/88/346237488.db2.gz NMKRYKFMEGDDOU-SNVBAGLBSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCCOC2)nc[nH+]1 ZINC000110587140 187317136 /nfs/dbraw/zinc/31/71/36/187317136.db2.gz OLMOXZZVTSSWLP-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO Cc1ncc(CNc2ccc(CO)c[nH+]2)o1 ZINC000628259333 346259383 /nfs/dbraw/zinc/25/93/83/346259383.db2.gz QHMXBNZYBKQHEQ-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C)c1 ZINC000336064426 179020030 /nfs/dbraw/zinc/02/00/30/179020030.db2.gz OTJCPPJXEZVHTG-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC23CC3)[nH+]1 ZINC000636056788 346303880 /nfs/dbraw/zinc/30/38/80/346303880.db2.gz YPCPFALUQBOIST-SECBINFHSA-N 1 2 219.288 1.183 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccncc1N ZINC000641758388 362688869 /nfs/dbraw/zinc/68/88/69/362688869.db2.gz OIDAGYJDPLRIOI-SNVBAGLBSA-N 1 2 245.330 1.731 20 0 BDADLO CCOC(=O)C1(C)CC([NH2+][C@H](C)C(F)F)C1 ZINC000603429295 349951917 /nfs/dbraw/zinc/95/19/17/349951917.db2.gz MYWPFMKKRNBZNR-OBEAGUGNSA-N 1 2 235.274 1.961 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccsn1 ZINC000636102934 346319786 /nfs/dbraw/zinc/31/97/86/346319786.db2.gz ZCSLUNDHGQTEPX-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO CCc1nc(CNc2cc(C)[nH+]c(CC)n2)n[nH]1 ZINC000295067519 346354896 /nfs/dbraw/zinc/35/48/96/346354896.db2.gz ZRPGZAWZSGQKSE-UHFFFAOYSA-N 1 2 246.318 1.640 20 0 BDADLO Cc1nc2ccc(NCc3c[nH+]cn3C)cn2n1 ZINC000641766064 362697922 /nfs/dbraw/zinc/69/79/22/362697922.db2.gz FZSZGEKPDQSIGI-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ccc(C)cn2)n1 ZINC000641766051 362698221 /nfs/dbraw/zinc/69/82/21/362698221.db2.gz FFRUZQVNBAELTG-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636226930 346360651 /nfs/dbraw/zinc/36/06/51/346360651.db2.gz JFGIOQUXDZOWOO-GHMZBOCLSA-N 1 2 231.299 1.740 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636226930 346360654 /nfs/dbraw/zinc/36/06/54/346360654.db2.gz JFGIOQUXDZOWOO-GHMZBOCLSA-N 1 2 231.299 1.740 20 0 BDADLO COC(=O)C[C@@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000401169742 346367790 /nfs/dbraw/zinc/36/77/90/346367790.db2.gz NHYXCWYOYZHMEO-GFCCVEGCSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)C[C@@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000401169742 346367792 /nfs/dbraw/zinc/36/77/92/346367792.db2.gz NHYXCWYOYZHMEO-GFCCVEGCSA-N 1 2 239.315 1.361 20 0 BDADLO CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CO1 ZINC000636156532 346338337 /nfs/dbraw/zinc/33/83/37/346338337.db2.gz UIZHMOQYZVOGOE-IVZWLZJFSA-N 1 2 249.314 1.197 20 0 BDADLO CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CO1 ZINC000636156532 346338340 /nfs/dbraw/zinc/33/83/40/346338340.db2.gz UIZHMOQYZVOGOE-IVZWLZJFSA-N 1 2 249.314 1.197 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000636171430 346344138 /nfs/dbraw/zinc/34/41/38/346344138.db2.gz VOEDRSXUYXXYIG-JTQLQIEISA-N 1 2 239.319 1.165 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000636171430 346344141 /nfs/dbraw/zinc/34/41/41/346344141.db2.gz VOEDRSXUYXXYIG-JTQLQIEISA-N 1 2 239.319 1.165 20 0 BDADLO CC[C@@H](O)Cn1c2ccccc2[nH+]c1CCCO ZINC000156476756 346370024 /nfs/dbraw/zinc/37/00/24/346370024.db2.gz JYJMQWLHGNQQFP-LLVKDONJSA-N 1 2 248.326 1.732 20 0 BDADLO c1nc2n(n1)CC[N@@H+]([C@H]1/C=C/CCCCC1)C2 ZINC000336379818 187367457 /nfs/dbraw/zinc/36/74/57/187367457.db2.gz RYSPABLRBAWVML-FUEXJSSKSA-N 1 2 232.331 1.983 20 0 BDADLO c1nc2n(n1)CC[N@H+]([C@H]1/C=C/CCCCC1)C2 ZINC000336379818 187367459 /nfs/dbraw/zinc/36/74/59/187367459.db2.gz RYSPABLRBAWVML-FUEXJSSKSA-N 1 2 232.331 1.983 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)N(C)C)c1F ZINC000294499174 179063974 /nfs/dbraw/zinc/06/39/74/179063974.db2.gz AYBPXWWKUNUOJJ-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)N(C)C)c1F ZINC000294499174 179063977 /nfs/dbraw/zinc/06/39/77/179063977.db2.gz AYBPXWWKUNUOJJ-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178363911 537977208 /nfs/dbraw/zinc/97/72/08/537977208.db2.gz CXQPKOVWPLSCTG-KOLCDFICSA-N 1 2 229.283 1.607 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)Nc2ccncc2)CCCO1 ZINC000170764923 346445903 /nfs/dbraw/zinc/44/59/03/346445903.db2.gz RZASMNIIDBDAFI-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccncc2)CCCO1 ZINC000170764923 346445907 /nfs/dbraw/zinc/44/59/07/346445907.db2.gz RZASMNIIDBDAFI-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H](N[C@H]1CCCn2cc[nH+]c21)C(F)F ZINC000641791872 362732539 /nfs/dbraw/zinc/73/25/39/362732539.db2.gz OJNILZPQULIYPC-SFYZADRCSA-N 1 2 215.247 1.961 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@@H]1F ZINC000679223827 488320243 /nfs/dbraw/zinc/32/02/43/488320243.db2.gz LZUWRORZEQNPRJ-NEPJUHHUSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1F ZINC000679223827 488320245 /nfs/dbraw/zinc/32/02/45/488320245.db2.gz LZUWRORZEQNPRJ-NEPJUHHUSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H](CC(=O)N1OC2CCC1CC2)n1cc[nH+]c1 ZINC000636404102 346474884 /nfs/dbraw/zinc/47/48/84/346474884.db2.gz YYYNLWFMDALCGX-VOMCLLRMSA-N 1 2 249.314 1.919 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000580325748 347098650 /nfs/dbraw/zinc/09/86/50/347098650.db2.gz XMBKVFFSKYLIDW-WDSKDSINSA-N 1 2 247.245 1.256 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000580325745 347098739 /nfs/dbraw/zinc/09/87/39/347098739.db2.gz XMBKVFFSKYLIDW-NTSWFWBYSA-N 1 2 247.245 1.256 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000186560038 346518127 /nfs/dbraw/zinc/51/81/27/346518127.db2.gz HONRTDSNUOVKOE-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nncn1C ZINC000170954385 346488811 /nfs/dbraw/zinc/48/88/11/346488811.db2.gz NVNLDNGHQVAABH-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nncn1C ZINC000170954385 346488814 /nfs/dbraw/zinc/48/88/14/346488814.db2.gz NVNLDNGHQVAABH-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nncn1C ZINC000170954383 346489009 /nfs/dbraw/zinc/48/90/09/346489009.db2.gz NVNLDNGHQVAABH-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nncn1C ZINC000170954383 346489011 /nfs/dbraw/zinc/48/90/11/346489011.db2.gz NVNLDNGHQVAABH-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO Cc1cccc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000186742789 346532952 /nfs/dbraw/zinc/53/29/52/346532952.db2.gz NIIISUTVHXCAOY-UHFFFAOYSA-N 1 2 229.283 1.910 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCc1ccccc1 ZINC000186741691 346533080 /nfs/dbraw/zinc/53/30/80/346533080.db2.gz AOYZZMGPWITRQG-UHFFFAOYSA-N 1 2 243.310 1.322 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1CCOC1 ZINC000176799775 346553672 /nfs/dbraw/zinc/55/36/72/346553672.db2.gz QCVOQAJWCXYWHO-SNVBAGLBSA-N 1 2 249.314 1.147 20 0 BDADLO CCC(CC)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636451261 346578608 /nfs/dbraw/zinc/57/86/08/346578608.db2.gz LHNCJCOJKVLFAF-JTQLQIEISA-N 1 2 236.319 1.296 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CC1(C)C ZINC000621044169 346588421 /nfs/dbraw/zinc/58/84/21/346588421.db2.gz OYSLETHTNAENIB-SNVBAGLBSA-N 1 2 235.331 1.765 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679228628 488322831 /nfs/dbraw/zinc/32/28/31/488322831.db2.gz YKHJOCSUGKKUFE-MNOVXSKESA-N 1 2 230.327 1.535 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679228628 488322833 /nfs/dbraw/zinc/32/28/33/488322833.db2.gz YKHJOCSUGKKUFE-MNOVXSKESA-N 1 2 230.327 1.535 20 0 BDADLO CSC1(C[N@@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC000589174728 346673486 /nfs/dbraw/zinc/67/34/86/346673486.db2.gz DAUDLHOWACQXRC-MRVPVSSYSA-N 1 2 237.315 1.584 20 0 BDADLO CSC1(C[N@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC000589174728 346673491 /nfs/dbraw/zinc/67/34/91/346673491.db2.gz DAUDLHOWACQXRC-MRVPVSSYSA-N 1 2 237.315 1.584 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000336606224 187370541 /nfs/dbraw/zinc/37/05/41/187370541.db2.gz IAKCILSOOVIYDL-LLVKDONJSA-N 1 2 233.315 1.698 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)[C@@H](C)OC ZINC000589542137 346711090 /nfs/dbraw/zinc/71/10/90/346711090.db2.gz KEWQGDOKGHEPGK-IJLUTSLNSA-N 1 2 245.363 1.977 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000179900039 346741819 /nfs/dbraw/zinc/74/18/19/346741819.db2.gz YVNKEVXPSLZRSQ-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccnc1C ZINC000179900039 346741821 /nfs/dbraw/zinc/74/18/21/346741821.db2.gz YVNKEVXPSLZRSQ-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COCC1(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000381744623 346795821 /nfs/dbraw/zinc/79/58/21/346795821.db2.gz PUONWWWRWYDHIM-UHFFFAOYSA-N 1 2 219.288 1.945 20 0 BDADLO Cc1cccc(OCC[NH2+]Cc2ccn[nH]2)c1 ZINC000042895812 179168496 /nfs/dbraw/zinc/16/84/96/179168496.db2.gz JAXMULWRUOZWGP-UHFFFAOYSA-N 1 2 231.299 1.887 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cn[nH]c1C ZINC000183185948 347121351 /nfs/dbraw/zinc/12/13/51/347121351.db2.gz OFVAECLCHLZOEZ-VIFPVBQESA-N 1 2 239.319 1.492 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cn[nH]c1C ZINC000183185948 347121353 /nfs/dbraw/zinc/12/13/53/347121353.db2.gz OFVAECLCHLZOEZ-VIFPVBQESA-N 1 2 239.319 1.492 20 0 BDADLO CCCc1csc(C[NH2+]C2(C(N)=O)CC2)n1 ZINC000309938640 347203878 /nfs/dbraw/zinc/20/38/78/347203878.db2.gz AWWSWGUBUMHONQ-UHFFFAOYSA-N 1 2 239.344 1.203 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)C[C@H]2CCCO2)n1 ZINC000582093478 347205739 /nfs/dbraw/zinc/20/57/39/347205739.db2.gz RUBHBXIPMWSRPC-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000582093478 347205740 /nfs/dbraw/zinc/20/57/40/347205740.db2.gz RUBHBXIPMWSRPC-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO OC[C@@H](CNc1cccc[nH+]1)Cc1ccco1 ZINC000641849065 362786023 /nfs/dbraw/zinc/78/60/23/362786023.db2.gz STYXVPHOTNAJSB-LLVKDONJSA-N 1 2 232.283 1.938 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)on1 ZINC000631158459 347241265 /nfs/dbraw/zinc/24/12/65/347241265.db2.gz VORPSFWUBZQRJX-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H]2CCSC2)no1 ZINC000119960182 347259316 /nfs/dbraw/zinc/25/93/16/347259316.db2.gz MVDMHMGVKHIGRP-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H]2CCSC2)no1 ZINC000119960182 347259320 /nfs/dbraw/zinc/25/93/20/347259320.db2.gz MVDMHMGVKHIGRP-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO Cc1cccc2c1CC[C@H]2[NH2+]Cc1nnn(C)n1 ZINC000330269580 179216973 /nfs/dbraw/zinc/21/69/73/179216973.db2.gz SCUXLHZGTDJFNA-GFCCVEGCSA-N 1 2 243.314 1.296 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1nc2ccccc2o1 ZINC000191729715 347358782 /nfs/dbraw/zinc/35/87/82/347358782.db2.gz YUYAOYLKAQIRIV-UHFFFAOYSA-N 1 2 233.271 1.135 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1nc2ccccc2o1 ZINC000191729715 347358784 /nfs/dbraw/zinc/35/87/84/347358784.db2.gz YUYAOYLKAQIRIV-UHFFFAOYSA-N 1 2 233.271 1.135 20 0 BDADLO CC[C@H](C[NH2+]C(C)(C)c1noc(C)n1)OC ZINC000419219321 192106040 /nfs/dbraw/zinc/10/60/40/192106040.db2.gz HBECOXNBNAVQAO-SECBINFHSA-N 1 2 227.308 1.628 20 0 BDADLO CC[N@@H+](Cc1cc[nH]n1)C[C@H](O)C(F)(F)F ZINC000189874979 347312690 /nfs/dbraw/zinc/31/26/90/347312690.db2.gz RVERPLHEARWZCE-QMMMGPOBSA-N 1 2 237.225 1.155 20 0 BDADLO CC[N@H+](Cc1cc[nH]n1)C[C@H](O)C(F)(F)F ZINC000189874979 347312692 /nfs/dbraw/zinc/31/26/92/347312692.db2.gz RVERPLHEARWZCE-QMMMGPOBSA-N 1 2 237.225 1.155 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N(C)C2)nc(C(C)C)[nH+]1 ZINC000310899844 347320767 /nfs/dbraw/zinc/32/07/67/347320767.db2.gz OYIZODDRBYPACQ-SNVBAGLBSA-N 1 2 248.330 1.551 20 0 BDADLO Cc1cc(NC(=O)c2cncnc2)cc[nH+]1 ZINC000082267312 347321595 /nfs/dbraw/zinc/32/15/95/347321595.db2.gz RFKIFNZAXUBGBP-UHFFFAOYSA-N 1 2 214.228 1.432 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC12CC2 ZINC000616921538 347451334 /nfs/dbraw/zinc/45/13/34/347451334.db2.gz ULQAIBDJVSMEBC-SECBINFHSA-N 1 2 205.261 1.168 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC12CC2 ZINC000616921538 347451337 /nfs/dbraw/zinc/45/13/37/347451337.db2.gz ULQAIBDJVSMEBC-SECBINFHSA-N 1 2 205.261 1.168 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC1(C)C ZINC000616921398 347451355 /nfs/dbraw/zinc/45/13/55/347451355.db2.gz PMBRHPYCICUYEY-JTQLQIEISA-N 1 2 221.304 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC1(C)C ZINC000616921398 347451356 /nfs/dbraw/zinc/45/13/56/347451356.db2.gz PMBRHPYCICUYEY-JTQLQIEISA-N 1 2 221.304 1.804 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)s1 ZINC000616924285 347455196 /nfs/dbraw/zinc/45/51/96/347455196.db2.gz CVDPYDHCAPHDFL-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)s1 ZINC000616924285 347455197 /nfs/dbraw/zinc/45/51/97/347455197.db2.gz CVDPYDHCAPHDFL-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO CCC[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925247 347455630 /nfs/dbraw/zinc/45/56/30/347455630.db2.gz AMXNBEGOPXHSOX-VIFPVBQESA-N 1 2 209.293 1.804 20 0 BDADLO CCC[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925247 347455633 /nfs/dbraw/zinc/45/56/33/347455633.db2.gz AMXNBEGOPXHSOX-VIFPVBQESA-N 1 2 209.293 1.804 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1ccoc1 ZINC000616927710 347455821 /nfs/dbraw/zinc/45/58/21/347455821.db2.gz OZOCKYAODVYQGK-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1ccoc1 ZINC000616927710 347455824 /nfs/dbraw/zinc/45/58/24/347455824.db2.gz OZOCKYAODVYQGK-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000152570867 362839988 /nfs/dbraw/zinc/83/99/88/362839988.db2.gz HTQMMSNALHKPKA-LLVKDONJSA-N 1 2 246.314 1.387 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616229635 347427887 /nfs/dbraw/zinc/42/78/87/347427887.db2.gz SKNIYDXRTPHRDX-IRCOFANPSA-N 1 2 247.342 1.684 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCS1 ZINC000616925530 347456912 /nfs/dbraw/zinc/45/69/12/347456912.db2.gz KMHNJXHIGWHSLI-VIFPVBQESA-N 1 2 225.317 1.264 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCS1 ZINC000616925530 347456914 /nfs/dbraw/zinc/45/69/14/347456914.db2.gz KMHNJXHIGWHSLI-VIFPVBQESA-N 1 2 225.317 1.264 20 0 BDADLO Cc1cccc2[nH+]c(CN3CCO[C@H]4C[C@H]43)cn21 ZINC000368639792 179229148 /nfs/dbraw/zinc/22/91/48/179229148.db2.gz XVWCPQXYTSIVJK-OLZOCXBDSA-N 1 2 243.310 1.616 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616928527 347494776 /nfs/dbraw/zinc/49/47/76/347494776.db2.gz DBOROYPNRFFDFD-NGZCFLSTSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616928527 347494778 /nfs/dbraw/zinc/49/47/78/347494778.db2.gz DBOROYPNRFFDFD-NGZCFLSTSA-N 1 2 237.303 1.182 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725812 347495595 /nfs/dbraw/zinc/49/55/95/347495595.db2.gz WWZFTLWRSMVCBY-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000616928843 347496087 /nfs/dbraw/zinc/49/60/87/347496087.db2.gz OHJPGNVKJDGSOU-HTQZYQBOSA-N 1 2 247.220 1.567 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000616928843 347496088 /nfs/dbraw/zinc/49/60/88/347496088.db2.gz OHJPGNVKJDGSOU-HTQZYQBOSA-N 1 2 247.220 1.567 20 0 BDADLO O=C(c1ccon1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590727294 347496468 /nfs/dbraw/zinc/49/64/68/347496468.db2.gz JHXHIFLJWXRRQQ-JTQLQIEISA-N 1 2 246.270 1.348 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000590706116 347498146 /nfs/dbraw/zinc/49/81/46/347498146.db2.gz BYXREPCNSMKHOH-ZJUUUORDSA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601911 347476012 /nfs/dbraw/zinc/47/60/12/347476012.db2.gz SROMDELKSOIGMU-NWDGAFQWSA-N 1 2 248.326 1.823 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601911 347476014 /nfs/dbraw/zinc/47/60/14/347476014.db2.gz SROMDELKSOIGMU-NWDGAFQWSA-N 1 2 248.326 1.823 20 0 BDADLO CCC1(CC)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000571582231 323148615 /nfs/dbraw/zinc/14/86/15/323148615.db2.gz TZOVHVRVPMWGTJ-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(C(F)(F)F)CC1 ZINC000590737540 347502179 /nfs/dbraw/zinc/50/21/79/347502179.db2.gz ZGUFMJFEJIBMQR-UHFFFAOYSA-N 1 2 247.220 1.379 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)CCc1c[nH+]cn1C ZINC000616977842 347559646 /nfs/dbraw/zinc/55/96/46/347559646.db2.gz OCCCEPNMTMYMON-LLVKDONJSA-N 1 2 237.347 2.000 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)CCn1cc[nH+]c1 ZINC000616982414 347564665 /nfs/dbraw/zinc/56/46/65/347564665.db2.gz WKPUMKOFNZDPKL-LLVKDONJSA-N 1 2 223.320 1.920 20 0 BDADLO c1cc(-c2noc(C[N@@H+]3CCCOCC3)n2)co1 ZINC000591809037 347699297 /nfs/dbraw/zinc/69/92/97/347699297.db2.gz HOBWRBUEIYNLOA-UHFFFAOYSA-N 1 2 249.270 1.552 20 0 BDADLO c1cc(-c2noc(C[N@H+]3CCCOCC3)n2)co1 ZINC000591809037 347699301 /nfs/dbraw/zinc/69/93/01/347699301.db2.gz HOBWRBUEIYNLOA-UHFFFAOYSA-N 1 2 249.270 1.552 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592188961 347761381 /nfs/dbraw/zinc/76/13/81/347761381.db2.gz RVTXFLAVMCMEIN-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592188961 347761384 /nfs/dbraw/zinc/76/13/84/347761384.db2.gz RVTXFLAVMCMEIN-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO Cn1ccc(/C=C/C(=O)NCc2c[nH+]cn2C)c1 ZINC000493403074 347788614 /nfs/dbraw/zinc/78/86/14/347788614.db2.gz RYGYKEZZQHXFLZ-ONEGZZNKSA-N 1 2 244.298 1.088 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)s1 ZINC000593102575 347859010 /nfs/dbraw/zinc/85/90/10/347859010.db2.gz XYTAXYYILJSMBB-UTEYVOQOSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)s1 ZINC000593102575 347859013 /nfs/dbraw/zinc/85/90/13/347859013.db2.gz XYTAXYYILJSMBB-UTEYVOQOSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1ccccc1NC(=O)COCc1[nH]cc[nH+]1 ZINC000123719201 179298377 /nfs/dbraw/zinc/29/83/77/179298377.db2.gz YHWUQOIQKCLMQL-UHFFFAOYSA-N 1 2 245.282 1.873 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H](C)c2ccccn2)c[nH+]1 ZINC000617079443 347877616 /nfs/dbraw/zinc/87/76/16/347877616.db2.gz QSYREASHOINQIZ-SECBINFHSA-N 1 2 244.298 1.647 20 0 BDADLO COC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C1CC1 ZINC000593522913 347904748 /nfs/dbraw/zinc/90/47/48/347904748.db2.gz OYGCDQYEVGQQCI-NWDGAFQWSA-N 1 2 246.310 1.717 20 0 BDADLO Cc1ccccc1[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000119754494 179318951 /nfs/dbraw/zinc/31/89/51/179318951.db2.gz HLWZUHJKIQBKAU-CQSZACIVSA-N 1 2 248.370 1.666 20 0 BDADLO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000201945709 347949913 /nfs/dbraw/zinc/94/99/13/347949913.db2.gz ZRWABJFFZOBGJF-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1(SC)CC1 ZINC000594575875 348075268 /nfs/dbraw/zinc/07/52/68/348075268.db2.gz DMLHEOIYUVVCRE-UHFFFAOYSA-N 1 2 239.344 1.523 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)C1CC1 ZINC000594732718 348109208 /nfs/dbraw/zinc/10/92/08/348109208.db2.gz XFQCHYKXQADFQX-ADEWGFFLSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000594914787 348135149 /nfs/dbraw/zinc/13/51/49/348135149.db2.gz LJAAIVHSXDYRCC-DVVUODLYSA-N 1 2 237.303 1.005 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000594914789 348135161 /nfs/dbraw/zinc/13/51/61/348135161.db2.gz LJAAIVHSXDYRCC-INTQDDNPSA-N 1 2 237.303 1.005 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000594931260 348140202 /nfs/dbraw/zinc/14/02/02/348140202.db2.gz MLEOPNLBLJEOSJ-ZMLRMANQSA-N 1 2 234.299 2.000 20 0 BDADLO Cc1cccnc1C(=O)NCCCn1cc[nH+]c1 ZINC000267473668 179363600 /nfs/dbraw/zinc/36/36/00/179363600.db2.gz RMPNBYKBHHVUAW-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CSCCF ZINC000595028051 348174173 /nfs/dbraw/zinc/17/41/73/348174173.db2.gz SKGWMNBVXDNCHD-QMMMGPOBSA-N 1 2 231.340 1.899 20 0 BDADLO Cc1cccnc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000093157847 179369946 /nfs/dbraw/zinc/36/99/46/179369946.db2.gz ZLGCBRXRWZUTGN-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccnc1C[N@H+](C)Cc1cnn(C)c1 ZINC000093157847 179369948 /nfs/dbraw/zinc/36/99/48/179369948.db2.gz ZLGCBRXRWZUTGN-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186676689 179372249 /nfs/dbraw/zinc/37/22/49/179372249.db2.gz SXXTWTSUHLJPSF-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186676689 179372250 /nfs/dbraw/zinc/37/22/50/179372250.db2.gz SXXTWTSUHLJPSF-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000595287038 348212596 /nfs/dbraw/zinc/21/25/96/348212596.db2.gz JZGKMFSZQJLBPT-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](OC)C1CCCC1 ZINC000595287038 348212600 /nfs/dbraw/zinc/21/26/00/348212600.db2.gz JZGKMFSZQJLBPT-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO Cc1cccnc1CNC(=O)CCn1cc[nH+]c1 ZINC000264198085 179379256 /nfs/dbraw/zinc/37/92/56/179379256.db2.gz QHLZYGLIROYUDT-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](CC)OC)[C@H](C)CC ZINC000419251077 192114378 /nfs/dbraw/zinc/11/43/78/192114378.db2.gz QZRMFCFNBFIXIN-IJLUTSLNSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H](CC)OC)C(=O)OC ZINC000419244849 192115146 /nfs/dbraw/zinc/11/51/46/192115146.db2.gz NHOMQLZPYUNQAO-DCAQKATOSA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)SCC[N@H+](C)Cc1cnc[nH]1 ZINC000595591422 348277528 /nfs/dbraw/zinc/27/75/28/348277528.db2.gz HGLXALBOEZJGKH-UHFFFAOYSA-N 1 2 213.350 1.983 20 0 BDADLO CC(C)SCC[N@@H+](C)Cc1cnc[nH]1 ZINC000595591422 348277530 /nfs/dbraw/zinc/27/75/30/348277530.db2.gz HGLXALBOEZJGKH-UHFFFAOYSA-N 1 2 213.350 1.983 20 0 BDADLO CC[C@@H](CN1CC[N@H+](CC)C[C@H]1CC)OC ZINC000419283175 192121980 /nfs/dbraw/zinc/12/19/80/192121980.db2.gz LGXYITDPRQWPEI-OLZOCXBDSA-N 1 2 228.380 1.828 20 0 BDADLO CC[C@@H](CN1CC[N@@H+](CC)C[C@H]1CC)OC ZINC000419283175 192121981 /nfs/dbraw/zinc/12/19/81/192121981.db2.gz LGXYITDPRQWPEI-OLZOCXBDSA-N 1 2 228.380 1.828 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCC(F)(F)F ZINC000595675825 348310116 /nfs/dbraw/zinc/31/01/16/348310116.db2.gz WLNITZMGPJNPAA-UHFFFAOYSA-N 1 2 237.221 1.576 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCC(F)(F)F ZINC000595675825 348310120 /nfs/dbraw/zinc/31/01/20/348310120.db2.gz WLNITZMGPJNPAA-UHFFFAOYSA-N 1 2 237.221 1.576 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@H](C)OC)CC[C@@H](C)CC1 ZINC000595707361 348319766 /nfs/dbraw/zinc/31/97/66/348319766.db2.gz OHKMXIAJSWFQGE-GVXVVHGQSA-N 1 2 243.347 1.733 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595808748 348349496 /nfs/dbraw/zinc/34/94/96/348349496.db2.gz VVBDMWBPIFHGQV-SNVBAGLBSA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810998 348350741 /nfs/dbraw/zinc/35/07/41/348350741.db2.gz RACALPPIFXSFHX-RTXFEEFZSA-N 1 2 246.310 1.638 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810998 348350743 /nfs/dbraw/zinc/35/07/43/348350743.db2.gz RACALPPIFXSFHX-RTXFEEFZSA-N 1 2 246.310 1.638 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCOC(C)(C)C ZINC000595769954 348335991 /nfs/dbraw/zinc/33/59/91/348335991.db2.gz PIFJSZASRIERGF-LBPRGKRZSA-N 1 2 249.326 1.682 20 0 BDADLO COCCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595771112 348336760 /nfs/dbraw/zinc/33/67/60/348336760.db2.gz WGTZKWNASQKIHX-NSHDSACASA-N 1 2 235.299 1.294 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](O)C(C)(C)C ZINC000595773245 348337352 /nfs/dbraw/zinc/33/73/52/348337352.db2.gz DJWBPVOSXCKNDP-JOYOIKCWSA-N 1 2 249.326 1.274 20 0 BDADLO CC[C@@H](Nc1cc(C#N)cnn1)c1[nH]cc[nH+]1 ZINC000396911552 349988878 /nfs/dbraw/zinc/98/88/78/349988878.db2.gz ILTASNLDUURTEX-SECBINFHSA-N 1 2 228.259 1.056 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627373974 348499067 /nfs/dbraw/zinc/49/90/67/348499067.db2.gz GQOIGIBOXBTWMV-VHSXEESVSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627373974 348499070 /nfs/dbraw/zinc/49/90/70/348499070.db2.gz GQOIGIBOXBTWMV-VHSXEESVSA-N 1 2 249.314 1.110 20 0 BDADLO Cc1ccsc1C[NH2+][C@@]1(C)CCOC1=O ZINC000289878716 179549491 /nfs/dbraw/zinc/54/94/91/179549491.db2.gz RTSHJDVSTFADOF-NSHDSACASA-N 1 2 225.313 1.852 20 0 BDADLO COC(=O)c1occc1CNc1cc[nH+]c(C)n1 ZINC000596486136 348559228 /nfs/dbraw/zinc/55/92/28/348559228.db2.gz DVLHQTNPMHOPKJ-UHFFFAOYSA-N 1 2 247.254 1.199 20 0 BDADLO COC[C@@H]([NH2+][C@@H]1CCCSCC1)C(=O)OC ZINC000597110971 348657980 /nfs/dbraw/zinc/65/79/80/348657980.db2.gz MSPYNFPQVQVPMI-NXEZZACHSA-N 1 2 247.360 1.050 20 0 BDADLO COC(=O)[C@H](CF)NCc1[nH+]ccn1C(C)C ZINC000597131985 348660847 /nfs/dbraw/zinc/66/08/47/348660847.db2.gz ZPNFPBRFUQEOGL-VIFPVBQESA-N 1 2 243.282 1.065 20 0 BDADLO CSCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000597855616 348827029 /nfs/dbraw/zinc/82/70/29/348827029.db2.gz UBKDTLBRNWRZJW-UHFFFAOYSA-N 1 2 227.333 1.167 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccn1)c1nccn1C ZINC000070007350 490194731 /nfs/dbraw/zinc/19/47/31/490194731.db2.gz WHRAJHVTKBRNQS-SNVBAGLBSA-N 1 2 216.288 1.666 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnn(C)c1 ZINC000107285735 179712294 /nfs/dbraw/zinc/71/22/94/179712294.db2.gz AKRAPMWVDRQSLD-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)C(C)(C)CO ZINC000605903077 348906901 /nfs/dbraw/zinc/90/69/01/348906901.db2.gz XFOYWZBOMUQTRZ-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)C(C)(C)CO ZINC000605903077 348906904 /nfs/dbraw/zinc/90/69/04/348906904.db2.gz XFOYWZBOMUQTRZ-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@]12C[C@H]1CCC2 ZINC000421737253 192377254 /nfs/dbraw/zinc/37/72/54/192377254.db2.gz JCGYKDCSGIUTMH-DGCLKSJQSA-N 1 2 233.315 1.580 20 0 BDADLO Cc1cnccc1NC(=O)NCc1[nH+]ccn1C ZINC000271161502 179710007 /nfs/dbraw/zinc/71/00/07/179710007.db2.gz WDZLQHHMVFACQV-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000042977820 348992237 /nfs/dbraw/zinc/99/22/37/348992237.db2.gz MYZHTVHVNWDYME-UHFFFAOYSA-N 1 2 240.734 1.860 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000042977820 348992238 /nfs/dbraw/zinc/99/22/38/348992238.db2.gz MYZHTVHVNWDYME-UHFFFAOYSA-N 1 2 240.734 1.860 20 0 BDADLO Cc1cnn(CC[NH2+][C@@H](C)c2nnc(C)o2)c1 ZINC000330510104 179740163 /nfs/dbraw/zinc/74/01/63/179740163.db2.gz AQUHZEOZSLUYES-VIFPVBQESA-N 1 2 235.291 1.234 20 0 BDADLO NC(=O)c1csc(CNc2c[nH]c[nH+]2)c1 ZINC000308878793 349016879 /nfs/dbraw/zinc/01/68/79/349016879.db2.gz OTYFQAIZGKYNTO-UHFFFAOYSA-N 1 2 222.273 1.182 20 0 BDADLO C[C@H](CC(=O)Nc1nccs1)n1cc[nH+]c1 ZINC000015734480 349085228 /nfs/dbraw/zinc/08/52/28/349085228.db2.gz QVMAPWGFUYOMAW-MRVPVSSYSA-N 1 2 236.300 1.929 20 0 BDADLO CSCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946554 349063514 /nfs/dbraw/zinc/06/35/14/349063514.db2.gz GKRWIIOFSHHCAV-SECBINFHSA-N 1 2 239.344 1.067 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@]12C[C@@H]1CCC2 ZINC000421789074 192381563 /nfs/dbraw/zinc/38/15/63/192381563.db2.gz ZHQOWHYXVHFSIJ-JSGCOSHPSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1nnc(NC(=O)[C@H]2CCCC[N@H+]2C)s1 ZINC000599303409 349141955 /nfs/dbraw/zinc/14/19/55/349141955.db2.gz UOCDLYKZODKXFQ-MRVPVSSYSA-N 1 2 240.332 1.269 20 0 BDADLO Cc1nnc(NC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC000599303409 349141958 /nfs/dbraw/zinc/14/19/58/349141958.db2.gz UOCDLYKZODKXFQ-MRVPVSSYSA-N 1 2 240.332 1.269 20 0 BDADLO CNC(=O)CSCCc1cc[nH+]cc1C ZINC000421841583 192392447 /nfs/dbraw/zinc/39/24/47/192392447.db2.gz LEFGQJMXHWXNMQ-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599621776 349229623 /nfs/dbraw/zinc/22/96/23/349229623.db2.gz FJWHVDRTGVBOBQ-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599621776 349229626 /nfs/dbraw/zinc/22/96/26/349229626.db2.gz FJWHVDRTGVBOBQ-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO COc1cccnc1C[NH2+]Cc1oc(C)nc1C ZINC000628302445 349206029 /nfs/dbraw/zinc/20/60/29/349206029.db2.gz CZQCLJBZCHASBH-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccco1 ZINC000184503657 349256828 /nfs/dbraw/zinc/25/68/28/349256828.db2.gz CWZNCIMLZQEEGV-SNVBAGLBSA-N 1 2 221.260 1.216 20 0 BDADLO CCC(CC)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264917119 349307141 /nfs/dbraw/zinc/30/71/41/349307141.db2.gz IWMQHHFJSCMWCC-UHFFFAOYSA-N 1 2 209.293 1.884 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000601940382 349392763 /nfs/dbraw/zinc/39/27/63/349392763.db2.gz MDGSHLQESZCIBZ-QWRGUYRKSA-N 1 2 241.331 1.343 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CC1CCC1 ZINC000601913706 349378552 /nfs/dbraw/zinc/37/85/52/349378552.db2.gz UAPWLVDRAOKORQ-CQSZACIVSA-N 1 2 212.318 1.469 20 0 BDADLO Cc1noc(C)c1[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000603801587 350035205 /nfs/dbraw/zinc/03/52/05/350035205.db2.gz ZVXVILSILLDLLT-ZETCQYMHSA-N 1 2 248.286 1.434 20 0 BDADLO O=C(c1ccsc1)N1CC(n2cc[nH+]c2)C1 ZINC000603813598 350037395 /nfs/dbraw/zinc/03/73/95/350037395.db2.gz OWAHAFRCRYAOPO-UHFFFAOYSA-N 1 2 233.296 1.642 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1cccnc1 ZINC000603889449 350049570 /nfs/dbraw/zinc/04/95/70/350049570.db2.gz STOLLJJYCYPYCV-UHFFFAOYSA-N 1 2 244.298 1.721 20 0 BDADLO COCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603915025 350055866 /nfs/dbraw/zinc/05/58/66/350055866.db2.gz AGFJGXISMCCZFA-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO CC[C@H](SC)C(=O)NCc1c[nH+]cn1C ZINC000291512105 350059314 /nfs/dbraw/zinc/05/93/14/350059314.db2.gz UBVXNCOAOYBFIO-VIFPVBQESA-N 1 2 227.333 1.178 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCCO)[nH+]1 ZINC000027899358 180017707 /nfs/dbraw/zinc/01/77/07/180017707.db2.gz RPXXNEVZQXYFKL-UHFFFAOYSA-N 1 2 206.249 1.061 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](C)CO)[nH+]1 ZINC000309450069 180019033 /nfs/dbraw/zinc/01/90/33/180019033.db2.gz MHUXFJLNYSIGJE-ZETCQYMHSA-N 1 2 220.276 1.307 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CCc2cnccn2)no1 ZINC000289303705 180033851 /nfs/dbraw/zinc/03/38/51/180033851.db2.gz DAIDXATVVDXSBK-SECBINFHSA-N 1 2 247.302 1.404 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CCc2cnccn2)no1 ZINC000289303705 180033852 /nfs/dbraw/zinc/03/38/52/180033852.db2.gz DAIDXATVVDXSBK-SECBINFHSA-N 1 2 247.302 1.404 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccon3)C2)no1 ZINC000369586550 180041742 /nfs/dbraw/zinc/04/17/42/180041742.db2.gz YNNJLIMAPZSWFA-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccon3)C2)no1 ZINC000369586550 180041745 /nfs/dbraw/zinc/04/17/45/180041745.db2.gz YNNJLIMAPZSWFA-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@@H]3C[C@H]3C)CCO2)no1 ZINC000330184258 180045418 /nfs/dbraw/zinc/04/54/18/180045418.db2.gz IJTKPJPOETXRCP-MIMYLULJSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@@H]3C[C@H]3C)CCO2)no1 ZINC000330184258 180045421 /nfs/dbraw/zinc/04/54/21/180045421.db2.gz IJTKPJPOETXRCP-MIMYLULJSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@]2(C)CCO[C@@H]2C)no1 ZINC000336744254 180053363 /nfs/dbraw/zinc/05/33/63/180053363.db2.gz PZEFFZGTNIAEMU-VAOFZXAKSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H]2CCCO2)no1 ZINC000329182401 180057401 /nfs/dbraw/zinc/05/74/01/180057401.db2.gz PAJBJSHANQURGJ-WDEREUQCSA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+]2C[C@@H]2CCCO2)no1 ZINC000329182401 180057403 /nfs/dbraw/zinc/05/74/03/180057403.db2.gz PAJBJSHANQURGJ-WDEREUQCSA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)[C@H]2CCOC2)[nH+]1 ZINC000359299926 180059025 /nfs/dbraw/zinc/05/90/25/180059025.db2.gz RHSMEUADUNCOCY-WPRPVWTQSA-N 1 2 246.314 1.525 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CC[C@H](O)C2)[nH+]1 ZINC000352614432 180059188 /nfs/dbraw/zinc/05/91/88/180059188.db2.gz XONDHLZGRCMWSF-ZJUUUORDSA-N 1 2 246.314 1.261 20 0 BDADLO Cc1nc(N2CCC[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000267934448 180068352 /nfs/dbraw/zinc/06/83/52/180068352.db2.gz HKXHNYKFJZXEQI-LLVKDONJSA-N 1 2 247.342 1.625 20 0 BDADLO Cc1nc(N2CCC2)c2c([nH+]1)CCCC2 ZINC000272836182 180068890 /nfs/dbraw/zinc/06/88/90/180068890.db2.gz HREVLBCNTPHOGI-UHFFFAOYSA-N 1 2 203.289 1.874 20 0 BDADLO Cc1nc(NCCO)c2c([nH+]1)CCCC2 ZINC000238539237 180070105 /nfs/dbraw/zinc/07/01/05/180070105.db2.gz SEVJPKBJJBMHGB-UHFFFAOYSA-N 1 2 207.277 1.068 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C(=O)NC1CCC1)C2 ZINC000377768151 180109099 /nfs/dbraw/zinc/10/90/99/180109099.db2.gz HTUBZXMQLPZDHY-UHFFFAOYSA-N 1 2 248.330 1.578 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC000268692050 180110791 /nfs/dbraw/zinc/11/07/91/180110791.db2.gz RVVDUKOXSNMDDB-YWEYNIOJSA-N 1 2 247.129 1.721 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC000268692050 180110792 /nfs/dbraw/zinc/11/07/92/180110792.db2.gz RVVDUKOXSNMDDB-YWEYNIOJSA-N 1 2 247.129 1.721 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+]([C@H](C)c1cccnc1)C2 ZINC000267378701 180112609 /nfs/dbraw/zinc/11/26/09/180112609.db2.gz MCUGXANUWJIWGJ-SNVBAGLBSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1nc2n(n1)CC[N@H+]([C@H](C)c1cccnc1)C2 ZINC000267378701 180112610 /nfs/dbraw/zinc/11/26/10/180112610.db2.gz MCUGXANUWJIWGJ-SNVBAGLBSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@H](CO)C2)nc[nH+]1 ZINC000304534579 350161923 /nfs/dbraw/zinc/16/19/23/350161923.db2.gz CGGKLGPRKIAOJL-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]cc2C)c[nH]1 ZINC000336571087 180129011 /nfs/dbraw/zinc/12/90/11/180129011.db2.gz PDLCPPJSNMHAQF-UHFFFAOYSA-N 1 2 216.244 1.096 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@H](C)C2)c[nH+]1 ZINC000336419964 180130835 /nfs/dbraw/zinc/13/08/35/180130835.db2.gz BSURRWFAQVOHBZ-WCBMZHEXSA-N 1 2 221.304 1.884 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@](F)(CO)C2)s1 ZINC000286895979 180142007 /nfs/dbraw/zinc/14/20/07/180142007.db2.gz LKDMPOMLVGQTHO-NSHDSACASA-N 1 2 244.335 1.748 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@](F)(CO)C2)s1 ZINC000286895979 180142009 /nfs/dbraw/zinc/14/20/09/180142009.db2.gz LKDMPOMLVGQTHO-NSHDSACASA-N 1 2 244.335 1.748 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000333074707 180119525 /nfs/dbraw/zinc/11/95/25/180119525.db2.gz VRVOKYCOHRAKLN-ZJUUUORDSA-N 1 2 219.288 1.380 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccccn1 ZINC000346208909 180120369 /nfs/dbraw/zinc/12/03/69/180120369.db2.gz FAVBESUVZPZRFE-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccoc1 ZINC000336064308 180122110 /nfs/dbraw/zinc/12/21/10/180122110.db2.gz PJAWOBPLFRZCKQ-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cc1ncc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000356327399 180159926 /nfs/dbraw/zinc/15/99/26/180159926.db2.gz YSRNBUDWXMLUPG-UHFFFAOYSA-N 1 2 230.271 1.284 20 0 BDADLO Cc1cc(N[C@H](C)C(C)(C)O)nc(C2CC2)[nH+]1 ZINC000604756814 350187717 /nfs/dbraw/zinc/18/77/17/350187717.db2.gz CRGDUHBQFDDYDD-SECBINFHSA-N 1 2 235.331 1.656 20 0 BDADLO Cc1nc(NCCCNC(=O)C2CCC2)cc[nH+]1 ZINC000176813831 180197878 /nfs/dbraw/zinc/19/78/78/180197878.db2.gz IAFSKCOLJPDVIO-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO Cc1nc(NCCCCCCO)cc[nH+]1 ZINC000224479293 180199022 /nfs/dbraw/zinc/19/90/22/180199022.db2.gz IBJATMYBTGITCB-UHFFFAOYSA-N 1 2 209.293 1.750 20 0 BDADLO Cc1nc(NC2CCC(CO)CC2)cc[nH+]1 ZINC000304635542 180199248 /nfs/dbraw/zinc/19/92/48/180199248.db2.gz RHNCZWMEVQASFT-UHFFFAOYSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@H](O)C2)cc[nH+]1 ZINC000235972566 180200144 /nfs/dbraw/zinc/20/01/44/180200144.db2.gz LVMHQRYAULBBAJ-UWVGGRQHSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(NC[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000230896502 180200699 /nfs/dbraw/zinc/20/06/99/180200699.db2.gz TXSSNTITNUFIHC-ZCFIWIBFSA-N 1 2 221.182 1.120 20 0 BDADLO Cc1nc(NC[C@H](O)Cc2ccccc2)cc[nH+]1 ZINC000266405767 180200951 /nfs/dbraw/zinc/20/09/51/180200951.db2.gz PZWAGDIUTKZNMJ-CYBMUJFWSA-N 1 2 243.310 1.801 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc[nH+]c(C)n2)[nH]1 ZINC000286596933 180203571 /nfs/dbraw/zinc/20/35/71/180203571.db2.gz SHGXCMMGEBHRQX-LURJTMIESA-N 1 2 218.264 1.385 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000361040767 180203669 /nfs/dbraw/zinc/20/36/69/180203669.db2.gz QJFGKMFZMOQMHA-NXEZZACHSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc[nH+]c(C)n2)n[nH]1 ZINC000133525534 180204554 /nfs/dbraw/zinc/20/45/54/180204554.db2.gz UFNDANHBHRBPRP-MRVPVSSYSA-N 1 2 231.303 1.860 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc[nH+]c(C)n2)[nH]n1 ZINC000133525534 180204556 /nfs/dbraw/zinc/20/45/56/180204556.db2.gz UFNDANHBHRBPRP-MRVPVSSYSA-N 1 2 231.303 1.860 20 0 BDADLO Cc1nc(NCc2cccc(O)c2)cc[nH+]1 ZINC000336747315 180181615 /nfs/dbraw/zinc/18/16/15/180181615.db2.gz XGLASNMGVJIVKB-UHFFFAOYSA-N 1 2 215.256 1.525 20 0 BDADLO Cc1nc(NCc2ccc(F)cn2)cc[nH+]1 ZINC000336731120 180181786 /nfs/dbraw/zinc/18/17/86/180181786.db2.gz IUDLDTNCFRDGBL-UHFFFAOYSA-N 1 2 218.235 1.353 20 0 BDADLO CCc1cnc(C[N@H+](CC(N)=O)C(C)(C)C)o1 ZINC000532878289 323304916 /nfs/dbraw/zinc/30/49/16/323304916.db2.gz QVMANCSLZXQAAT-UHFFFAOYSA-N 1 2 239.319 1.323 20 0 BDADLO CCc1cnc(C[N@@H+](CC(N)=O)C(C)(C)C)o1 ZINC000532878289 323304918 /nfs/dbraw/zinc/30/49/18/323304918.db2.gz QVMANCSLZXQAAT-UHFFFAOYSA-N 1 2 239.319 1.323 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000353541516 180218212 /nfs/dbraw/zinc/21/82/12/180218212.db2.gz IQPYWWNKACPXRX-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353541516 180218213 /nfs/dbraw/zinc/21/82/13/180218213.db2.gz IQPYWWNKACPXRX-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334826302 180220778 /nfs/dbraw/zinc/22/07/78/180220778.db2.gz ANBHQMUKIXQRSX-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334826302 180220780 /nfs/dbraw/zinc/22/07/80/180220780.db2.gz ANBHQMUKIXQRSX-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCCOCC1 ZINC000334493043 538073074 /nfs/dbraw/zinc/07/30/74/538073074.db2.gz ARIGCRUGLOCNDF-UHFFFAOYSA-N 1 2 235.287 1.066 20 0 BDADLO CCOC[C@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000068950994 350313655 /nfs/dbraw/zinc/31/36/55/350313655.db2.gz WNZIUQGJUWXLAE-LLVKDONJSA-N 1 2 244.360 1.281 20 0 BDADLO CCOC[C@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000068950994 350313658 /nfs/dbraw/zinc/31/36/58/350313658.db2.gz WNZIUQGJUWXLAE-LLVKDONJSA-N 1 2 244.360 1.281 20 0 BDADLO CN(C(=O)[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000606369009 350320579 /nfs/dbraw/zinc/32/05/79/350320579.db2.gz RDHPPEJKCIMIAA-SECBINFHSA-N 1 2 239.344 1.590 20 0 BDADLO CN(C(=O)[C@H]1CCCC[N@H+]1C)c1nccs1 ZINC000606369009 350320581 /nfs/dbraw/zinc/32/05/81/350320581.db2.gz RDHPPEJKCIMIAA-SECBINFHSA-N 1 2 239.344 1.590 20 0 BDADLO Cc1cc(F)cc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000335167765 538090043 /nfs/dbraw/zinc/09/00/43/538090043.db2.gz ACKCKVOLVNYNSR-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCC=C(C)C1 ZINC000563931880 323324916 /nfs/dbraw/zinc/32/49/16/323324916.db2.gz BGFSESHKIXJOLS-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCC=C(C)C1 ZINC000563931880 323324922 /nfs/dbraw/zinc/32/49/22/323324922.db2.gz BGFSESHKIXJOLS-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO O=C(Nc1cn[nH]c1)Nc1ccc2[nH+]ccn2c1 ZINC000606580898 350374083 /nfs/dbraw/zinc/37/40/83/350374083.db2.gz IWHVXNYOVJFDNC-UHFFFAOYSA-N 1 2 242.242 1.701 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000617211166 350380542 /nfs/dbraw/zinc/38/05/42/350380542.db2.gz IYSIQIDCVMIISY-SUNKGSAMSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000617211937 350381445 /nfs/dbraw/zinc/38/14/45/350381445.db2.gz RMFYVZTTXWPQFS-MJVIPROJSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967812 180318403 /nfs/dbraw/zinc/31/84/03/180318403.db2.gz IESFLEVKEQDTBX-AOOOYVTPSA-N 1 2 240.328 1.051 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967812 180318406 /nfs/dbraw/zinc/31/84/06/180318406.db2.gz IESFLEVKEQDTBX-AOOOYVTPSA-N 1 2 240.328 1.051 20 0 BDADLO C[C@@H](NC(=O)N1CC=CC1)c1[nH+]ccn1C ZINC000637287585 350400054 /nfs/dbraw/zinc/40/00/54/350400054.db2.gz BGRXJPGPQWCPHZ-SECBINFHSA-N 1 2 220.276 1.063 20 0 BDADLO CC[N@@H+](Cc1cnns1)C[C@H]1CCCO1 ZINC000336679767 350436213 /nfs/dbraw/zinc/43/62/13/350436213.db2.gz IRFPWVRXPXPOAK-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@H+](Cc1cnns1)C[C@H]1CCCO1 ZINC000336679767 350436217 /nfs/dbraw/zinc/43/62/17/350436217.db2.gz IRFPWVRXPXPOAK-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO C[C@H](C(N)=O)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007689914 350447280 /nfs/dbraw/zinc/44/72/80/350447280.db2.gz WCBRGQSIWCFACA-MRVPVSSYSA-N 1 2 249.339 1.602 20 0 BDADLO C[C@H](C(N)=O)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007689914 350447283 /nfs/dbraw/zinc/44/72/83/350447283.db2.gz WCBRGQSIWCFACA-MRVPVSSYSA-N 1 2 249.339 1.602 20 0 BDADLO Cc1nc([C@@H](C)Nc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000343938431 538092976 /nfs/dbraw/zinc/09/29/76/538092976.db2.gz IALRUFUUBIPMKG-SSDOTTSWSA-N 1 2 232.291 1.115 20 0 BDADLO Cc1[nH]c(CN2CC3(CC(F)C3)C2)[nH+]c1C ZINC000628307212 350458331 /nfs/dbraw/zinc/45/83/31/350458331.db2.gz UUOWLFRBDNXXDV-UHFFFAOYSA-N 1 2 223.295 1.960 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427999504 191105152 /nfs/dbraw/zinc/10/51/52/191105152.db2.gz ZQCZHPVOOPUYIG-MISXGVKJSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1c[nH]cn1 ZINC000362336153 180381828 /nfs/dbraw/zinc/38/18/28/180381828.db2.gz NIDCZUFHMYMCAD-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c[nH]cn1 ZINC000362336153 180381832 /nfs/dbraw/zinc/38/18/32/180381832.db2.gz NIDCZUFHMYMCAD-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cnc[nH]1 ZINC000362336153 180381833 /nfs/dbraw/zinc/38/18/33/180381833.db2.gz NIDCZUFHMYMCAD-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cnc[nH]1 ZINC000362336153 180381835 /nfs/dbraw/zinc/38/18/35/180381835.db2.gz NIDCZUFHMYMCAD-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428001018 191105616 /nfs/dbraw/zinc/10/56/16/191105616.db2.gz NOUMCJBIZRWGSA-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccco1 ZINC000344009485 538094474 /nfs/dbraw/zinc/09/44/74/538094474.db2.gz JAKIKTBGYYQUNI-UHFFFAOYSA-N 1 2 245.282 1.922 20 0 BDADLO Cc1nnc(NCCn2cc[nH+]c2)s1 ZINC000083584017 180433436 /nfs/dbraw/zinc/43/34/36/180433436.db2.gz YYZIAGOTBHZUTO-UHFFFAOYSA-N 1 2 209.278 1.155 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H](CO)C2)no1 ZINC000051886984 191113464 /nfs/dbraw/zinc/11/34/64/191113464.db2.gz GXFPCQDDAQNGDJ-VIFPVBQESA-N 1 2 239.319 1.181 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H](CO)C2)no1 ZINC000051886984 191113466 /nfs/dbraw/zinc/11/34/66/191113466.db2.gz GXFPCQDDAQNGDJ-VIFPVBQESA-N 1 2 239.319 1.181 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)C[C@H](C)O ZINC000577527875 365980735 /nfs/dbraw/zinc/98/07/35/365980735.db2.gz CUBJRBLJLWYKLV-IUCAKERBSA-N 1 2 209.293 1.087 20 0 BDADLO COCC1(C)CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628307504 350606597 /nfs/dbraw/zinc/60/65/97/350606597.db2.gz NJHVYBFISBJQQS-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO COCC1(C)C[NH+](Cc2nc(C)c[nH]2)C1 ZINC000628307504 350606601 /nfs/dbraw/zinc/60/66/01/350606601.db2.gz NJHVYBFISBJQQS-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CS[C@H](C)C1)C1CC1 ZINC000397927452 350646403 /nfs/dbraw/zinc/64/64/03/350646403.db2.gz KQOFHTQLNDELSK-SZEHBUNVSA-N 1 2 229.345 1.422 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCO[C@H](C)C1 ZINC000096593377 350679001 /nfs/dbraw/zinc/67/90/01/350679001.db2.gz JWCDGSNMSJDCPD-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CCO[C@H](C)C1 ZINC000096593377 350679003 /nfs/dbraw/zinc/67/90/03/350679003.db2.gz JWCDGSNMSJDCPD-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ncnn1C ZINC000177294503 365992296 /nfs/dbraw/zinc/99/22/96/365992296.db2.gz WNWMVVJZSUTPKP-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ncnn1C ZINC000177294503 365992299 /nfs/dbraw/zinc/99/22/99/365992299.db2.gz WNWMVVJZSUTPKP-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587855 350697735 /nfs/dbraw/zinc/69/77/35/350697735.db2.gz PVKPSSTZOPDQAS-ZYHUDNBSSA-N 1 2 247.310 1.125 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587855 350697738 /nfs/dbraw/zinc/69/77/38/350697738.db2.gz PVKPSSTZOPDQAS-ZYHUDNBSSA-N 1 2 247.310 1.125 20 0 BDADLO Cc1nc(N[C@H]2C[C@H]3CCCCN3C2=O)cc[nH+]1 ZINC000563323137 350818883 /nfs/dbraw/zinc/81/88/83/350818883.db2.gz GNHFBQPDVYJYMD-MNOVXSKESA-N 1 2 246.314 1.350 20 0 BDADLO CC[N@H+](Cc1ncnn1CC(C)C)[C@@H](C)CO ZINC000339627414 350769629 /nfs/dbraw/zinc/76/96/29/350769629.db2.gz BPJBSSVMJMAUIW-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CC[N@@H+](Cc1ncnn1CC(C)C)[C@@H](C)CO ZINC000339627414 350769631 /nfs/dbraw/zinc/76/96/31/350769631.db2.gz BPJBSSVMJMAUIW-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO O=C(C1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000138692360 350830263 /nfs/dbraw/zinc/83/02/63/350830263.db2.gz DKMHQKITMVKSQL-UHFFFAOYSA-N 1 2 219.288 1.526 20 0 BDADLO O=C(C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000138692360 350830264 /nfs/dbraw/zinc/83/02/64/350830264.db2.gz DKMHQKITMVKSQL-UHFFFAOYSA-N 1 2 219.288 1.526 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000389821667 350854436 /nfs/dbraw/zinc/85/44/36/350854436.db2.gz FOQITOVMLGDAQZ-UHFFFAOYSA-N 1 2 245.261 1.116 20 0 BDADLO Cc1nocc1C[NH2+]Cc1nc(C#N)cs1 ZINC000398040845 351002852 /nfs/dbraw/zinc/00/28/52/351002852.db2.gz XQDIYCZRQXNVKA-UHFFFAOYSA-N 1 2 234.284 1.601 20 0 BDADLO CC1(C)CCC[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398310212 351024352 /nfs/dbraw/zinc/02/43/52/351024352.db2.gz KUPFRSOGOYTOOA-SECBINFHSA-N 1 2 208.309 1.863 20 0 BDADLO CC1(C)CCC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398310212 351024354 /nfs/dbraw/zinc/02/43/54/351024354.db2.gz KUPFRSOGOYTOOA-SECBINFHSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398304385 351025511 /nfs/dbraw/zinc/02/55/11/351025511.db2.gz HYITZVXLDSKWKG-VHSXEESVSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398304385 351025513 /nfs/dbraw/zinc/02/55/13/351025513.db2.gz HYITZVXLDSKWKG-VHSXEESVSA-N 1 2 208.309 1.863 20 0 BDADLO CSC[C@H](CCO)Nc1cc[nH+]cc1F ZINC000389897775 351049499 /nfs/dbraw/zinc/04/94/99/351049499.db2.gz BFHFHVCZXDZFKX-QMMMGPOBSA-N 1 2 230.308 1.169 20 0 BDADLO OCCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000052711919 351066810 /nfs/dbraw/zinc/06/68/10/351066810.db2.gz HSCZIJQRJPQTHL-UHFFFAOYSA-N 1 2 240.372 1.248 20 0 BDADLO CCC(=O)N1CCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628319033 351106030 /nfs/dbraw/zinc/10/60/30/351106030.db2.gz GYCPCFLLFDJOKM-UHFFFAOYSA-N 1 2 236.319 1.038 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000398364733 351123018 /nfs/dbraw/zinc/12/30/18/351123018.db2.gz ZIOGDAXKIOOOSF-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO CCc1ccc(C[NH2+]Cc2c[nH]nn2)s1 ZINC000398364733 351123021 /nfs/dbraw/zinc/12/30/21/351123021.db2.gz ZIOGDAXKIOOOSF-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cn[nH]n2)s1 ZINC000398364733 351123024 /nfs/dbraw/zinc/12/30/24/351123024.db2.gz ZIOGDAXKIOOOSF-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398371254 351124749 /nfs/dbraw/zinc/12/47/49/351124749.db2.gz QXGVLKTXYYHBQW-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)cc1F ZINC000398404665 351137269 /nfs/dbraw/zinc/13/72/69/351137269.db2.gz PLXJAHGUBUGSGP-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO C[C@H]1C[N@H+](CCC(F)(F)F)CCC1=O ZINC000063100375 351140675 /nfs/dbraw/zinc/14/06/75/351140675.db2.gz FEJNRWRZHOLTED-ZETCQYMHSA-N 1 2 209.211 1.850 20 0 BDADLO C[C@H]1C[N@@H+](CCC(F)(F)F)CCC1=O ZINC000063100375 351140678 /nfs/dbraw/zinc/14/06/78/351140678.db2.gz FEJNRWRZHOLTED-ZETCQYMHSA-N 1 2 209.211 1.850 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)OCC23CCC3)[nH+]1 ZINC000628325247 351251066 /nfs/dbraw/zinc/25/10/66/351251066.db2.gz DNMNIUJZTUGTAU-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCO1 ZINC000264992242 351260409 /nfs/dbraw/zinc/26/04/09/351260409.db2.gz KLOWVOPGVYPXTC-LLVKDONJSA-N 1 2 220.272 1.762 20 0 BDADLO Cc1[nH]c(CN2CCC[C@@H](F)C2)[nH+]c1C ZINC000628326893 351261984 /nfs/dbraw/zinc/26/19/84/351261984.db2.gz ZOEKJXFQRBXKCI-SNVBAGLBSA-N 1 2 211.284 1.960 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266993040 351296936 /nfs/dbraw/zinc/29/69/36/351296936.db2.gz VVIHZQVBSRFMDL-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CCCCO[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266993041 351297106 /nfs/dbraw/zinc/29/71/06/351297106.db2.gz VVIHZQVBSRFMDL-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2nnc(C)s2)[nH+]1 ZINC000628352537 351316084 /nfs/dbraw/zinc/31/60/84/351316084.db2.gz MFOAJGCTNPADNV-UHFFFAOYSA-N 1 2 237.332 1.510 20 0 BDADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)nc1 ZINC000072628116 351326060 /nfs/dbraw/zinc/32/60/60/351326060.db2.gz RBHYKNVRIWQXQU-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CCn1ccnn1 ZINC000265252985 351266277 /nfs/dbraw/zinc/26/62/77/351266277.db2.gz UAYLPUIPOXOWTB-UHFFFAOYSA-N 1 2 245.286 1.264 20 0 BDADLO CCn1nccc1C[NH2+]Cc1ncnn1C(C)C ZINC000631177825 351360912 /nfs/dbraw/zinc/36/09/12/351360912.db2.gz AKQUZCGRPLBNRZ-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000306993162 351410172 /nfs/dbraw/zinc/41/01/72/351410172.db2.gz YJCMCXFAXXQHNO-LBPRGKRZSA-N 1 2 207.273 1.491 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000306993162 351410175 /nfs/dbraw/zinc/41/01/75/351410175.db2.gz YJCMCXFAXXQHNO-LBPRGKRZSA-N 1 2 207.273 1.491 20 0 BDADLO Cc1cnc(NC(=O)C[C@H](C)n2cc[nH+]c2)cn1 ZINC000637676995 351521632 /nfs/dbraw/zinc/52/16/32/351521632.db2.gz BZCSWARDWZXJLW-JTQLQIEISA-N 1 2 245.286 1.571 20 0 BDADLO CCN1CC[N@H+](CCOc2ccccc2)CC1=O ZINC000273383948 351526422 /nfs/dbraw/zinc/52/64/22/351526422.db2.gz CWTVFENVMLKHIZ-UHFFFAOYSA-N 1 2 248.326 1.230 20 0 BDADLO CCN1CC[N@@H+](CCOc2ccccc2)CC1=O ZINC000273383948 351526428 /nfs/dbraw/zinc/52/64/28/351526428.db2.gz CWTVFENVMLKHIZ-UHFFFAOYSA-N 1 2 248.326 1.230 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000275055199 351591310 /nfs/dbraw/zinc/59/13/10/351591310.db2.gz UQZZCCFIWNOENZ-VHSXEESVSA-N 1 2 233.315 1.925 20 0 BDADLO CC[C@@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000275036729 351591703 /nfs/dbraw/zinc/59/17/03/351591703.db2.gz QMBNVALLXWFKAL-SNVBAGLBSA-N 1 2 249.314 1.211 20 0 BDADLO CC(C)CN1CC[N@H+](Cc2ccn(C)c2)CC1=O ZINC000275156753 351594231 /nfs/dbraw/zinc/59/42/31/351594231.db2.gz WCGCKYJDUCOKCR-UHFFFAOYSA-N 1 2 249.358 1.325 20 0 BDADLO CC(C)CN1CC[N@@H+](Cc2ccn(C)c2)CC1=O ZINC000275156753 351594234 /nfs/dbraw/zinc/59/42/34/351594234.db2.gz WCGCKYJDUCOKCR-UHFFFAOYSA-N 1 2 249.358 1.325 20 0 BDADLO CC1(C)C[N@H+](Cc2ccon2)CC[C@H]1O ZINC000275446061 351599612 /nfs/dbraw/zinc/59/96/12/351599612.db2.gz LBDIQTQBJBTTEK-SNVBAGLBSA-N 1 2 210.277 1.267 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccon2)CC[C@H]1O ZINC000275446061 351599616 /nfs/dbraw/zinc/59/96/16/351599616.db2.gz LBDIQTQBJBTTEK-SNVBAGLBSA-N 1 2 210.277 1.267 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)c(F)c1 ZINC000404608068 351602646 /nfs/dbraw/zinc/60/26/46/351602646.db2.gz DCKZYUNCAVSQRP-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO CC1(C)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276573005 351634799 /nfs/dbraw/zinc/63/47/99/351634799.db2.gz KQMREPBLXXMCME-ONEGZZNKSA-N 1 2 219.288 1.681 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H](C)O1 ZINC000637814753 351653934 /nfs/dbraw/zinc/65/39/34/351653934.db2.gz NDBYCZVLZUUBEQ-DTORHVGOSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)C[C@H](C)O1 ZINC000637814753 351653935 /nfs/dbraw/zinc/65/39/35/351653935.db2.gz NDBYCZVLZUUBEQ-DTORHVGOSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000582140732 351616572 /nfs/dbraw/zinc/61/65/72/351616572.db2.gz ZPYUAVZGPPPJCK-NQBHXWOUSA-N 1 2 249.358 1.904 20 0 BDADLO CCOC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000276543540 351630048 /nfs/dbraw/zinc/63/00/48/351630048.db2.gz ZGDBYIDCJISQKG-NSHDSACASA-N 1 2 239.319 1.509 20 0 BDADLO CC(C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577735026 366047698 /nfs/dbraw/zinc/04/76/98/366047698.db2.gz SAKKPERHQGNFJH-NSHDSACASA-N 1 2 223.320 1.949 20 0 BDADLO COCCC[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000577767927 366058133 /nfs/dbraw/zinc/05/81/33/366058133.db2.gz PLLKAVFAFRSSDG-VHSXEESVSA-N 1 2 239.319 1.650 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1nncn1C ZINC000037017321 358466727 /nfs/dbraw/zinc/46/67/27/358466727.db2.gz IRWRBRMYIPZETA-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO COc1ncc(C[N@@H+]2CCCOCC2)s1 ZINC000637948840 351825217 /nfs/dbraw/zinc/82/52/17/351825217.db2.gz AUEHVFIWDJRZIB-UHFFFAOYSA-N 1 2 228.317 1.374 20 0 BDADLO COc1ncc(C[N@H+]2CCCOCC2)s1 ZINC000637948840 351825221 /nfs/dbraw/zinc/82/52/21/351825221.db2.gz AUEHVFIWDJRZIB-UHFFFAOYSA-N 1 2 228.317 1.374 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccns1 ZINC000637950123 351826606 /nfs/dbraw/zinc/82/66/06/351826606.db2.gz ZOJLJPXJQUSYLZ-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccns1 ZINC000637950123 351826612 /nfs/dbraw/zinc/82/66/12/351826612.db2.gz ZOJLJPXJQUSYLZ-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ccns1 ZINC000637965243 351838830 /nfs/dbraw/zinc/83/88/30/351838830.db2.gz RFRSJIUFGJGKRZ-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ccns1 ZINC000637965243 351838832 /nfs/dbraw/zinc/83/88/32/351838832.db2.gz RFRSJIUFGJGKRZ-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)c[nH]1 ZINC000637998017 351875416 /nfs/dbraw/zinc/87/54/16/351875416.db2.gz GTGZJUFPHOYYST-SNVBAGLBSA-N 1 2 246.270 1.507 20 0 BDADLO O=c1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)c[nH]1 ZINC000637998017 351875419 /nfs/dbraw/zinc/87/54/19/351875419.db2.gz GTGZJUFPHOYYST-SNVBAGLBSA-N 1 2 246.270 1.507 20 0 BDADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1O ZINC000282969852 351952575 /nfs/dbraw/zinc/95/25/75/351952575.db2.gz DZOQXEFTOHLPLM-UFFNRZRYSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)sn1 ZINC000638088836 351967105 /nfs/dbraw/zinc/96/71/05/351967105.db2.gz QAMHTOIOXMXVSN-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)sn1 ZINC000638088836 351967108 /nfs/dbraw/zinc/96/71/08/351967108.db2.gz QAMHTOIOXMXVSN-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO O=c1ccc(C[N@@H+]2CCc3c[nH]nc3C2)c[nH]1 ZINC000638106744 351984520 /nfs/dbraw/zinc/98/45/20/351984520.db2.gz DCSALUANVCWTJX-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1ccc(C[N@H+]2CCc3c[nH]nc3C2)c[nH]1 ZINC000638106744 351984524 /nfs/dbraw/zinc/98/45/24/351984524.db2.gz DCSALUANVCWTJX-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1ccc(C[N@@H+]2CCc3cn[nH]c3C2)c[nH]1 ZINC000638106744 351984527 /nfs/dbraw/zinc/98/45/27/351984527.db2.gz DCSALUANVCWTJX-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1ccc(C[N@H+]2CCc3cn[nH]c3C2)c[nH]1 ZINC000638106744 351984530 /nfs/dbraw/zinc/98/45/30/351984530.db2.gz DCSALUANVCWTJX-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000618874217 351994529 /nfs/dbraw/zinc/99/45/29/351994529.db2.gz NABYIADXFBEAPY-IJLUTSLNSA-N 1 2 247.342 1.828 20 0 BDADLO Cc1cncc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000083892630 352055743 /nfs/dbraw/zinc/05/57/43/352055743.db2.gz DTHXBYNGJSJCSX-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO CC[N@H+](Cc1oncc1C(=O)OC)C1CC1 ZINC000286042379 352072793 /nfs/dbraw/zinc/07/27/93/352072793.db2.gz QPZBNSJFUYSIOB-UHFFFAOYSA-N 1 2 224.260 1.446 20 0 BDADLO CC[N@@H+](Cc1oncc1C(=O)OC)C1CC1 ZINC000286042379 352072797 /nfs/dbraw/zinc/07/27/97/352072797.db2.gz QPZBNSJFUYSIOB-UHFFFAOYSA-N 1 2 224.260 1.446 20 0 BDADLO COC[C@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410877630 191149998 /nfs/dbraw/zinc/14/99/98/191149998.db2.gz SCDOCIJUIVNYFR-SNVBAGLBSA-N 1 2 247.298 1.945 20 0 BDADLO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000252749409 538101910 /nfs/dbraw/zinc/10/19/10/538101910.db2.gz ANXOOWREKVYEIX-YGOYTEALSA-N 1 2 225.336 1.776 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CC1(F)F ZINC000638329723 352150219 /nfs/dbraw/zinc/15/02/19/352150219.db2.gz QUSDXKOPHDOUBM-POYBYMJQSA-N 1 2 201.220 1.543 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000181446804 535172827 /nfs/dbraw/zinc/17/28/27/535172827.db2.gz MVAJTLIPJCERHZ-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000181446804 535172834 /nfs/dbraw/zinc/17/28/34/535172834.db2.gz MVAJTLIPJCERHZ-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCc1[nH+]c(C)ccc1OCc1cnn(C)n1 ZINC000289378851 352183172 /nfs/dbraw/zinc/18/31/72/352183172.db2.gz KXHBTPYWKFFWRS-UHFFFAOYSA-N 1 2 232.287 1.660 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C2=CCC2)n1 ZINC000411091780 191158571 /nfs/dbraw/zinc/15/85/71/191158571.db2.gz HUDDWGNHYKLTEJ-UHFFFAOYSA-N 1 2 237.328 1.863 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccoc1C ZINC000638405836 352211569 /nfs/dbraw/zinc/21/15/69/352211569.db2.gz CDXSNPQBMIAUCB-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411180144 191169269 /nfs/dbraw/zinc/16/92/69/191169269.db2.gz BJONUKWNNCHTOG-QMMMGPOBSA-N 1 2 212.297 1.142 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411180144 191169272 /nfs/dbraw/zinc/16/92/72/191169272.db2.gz BJONUKWNNCHTOG-QMMMGPOBSA-N 1 2 212.297 1.142 20 0 BDADLO COCC(C)(C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000411203723 191171556 /nfs/dbraw/zinc/17/15/56/191171556.db2.gz ZZDIDZVQYOZDKU-UHFFFAOYSA-N 1 2 236.315 1.813 20 0 BDADLO CC[C@](C)([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)OC ZINC000411438437 191186016 /nfs/dbraw/zinc/18/60/16/191186016.db2.gz KFILZJQGYBPQBC-MFKMUULPSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccc(C)cn1)C1CC1 ZINC000411606884 191196558 /nfs/dbraw/zinc/19/65/58/191196558.db2.gz CENYJKLISHFPIE-CYBMUJFWSA-N 1 2 248.326 1.474 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1C=CCCC1 ZINC000275221727 180743027 /nfs/dbraw/zinc/74/30/27/180743027.db2.gz DJROEHUHQWUFOC-LLVKDONJSA-N 1 2 233.315 1.783 20 0 BDADLO Cc1noc(C)c1[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000607948690 352453182 /nfs/dbraw/zinc/45/31/82/352453182.db2.gz NRCKYJGMFMHHKQ-ZETCQYMHSA-N 1 2 248.286 1.434 20 0 BDADLO Cc1noc(C)c1[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000607948690 352453187 /nfs/dbraw/zinc/45/31/87/352453187.db2.gz NRCKYJGMFMHHKQ-ZETCQYMHSA-N 1 2 248.286 1.434 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]CC[C@H](C)O ZINC000411762216 191209191 /nfs/dbraw/zinc/20/91/91/191209191.db2.gz WAVLCJPAVQEFRY-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)cc1 ZINC000336588261 180745445 /nfs/dbraw/zinc/74/54/45/180745445.db2.gz RIOAOLKKYSTGFU-UHFFFAOYSA-N 1 2 248.261 1.881 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC(C)(C)C1 ZINC000266822046 180745556 /nfs/dbraw/zinc/74/55/56/180745556.db2.gz LPTLMCLFXGOIIA-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000411793366 191211991 /nfs/dbraw/zinc/21/19/91/191211991.db2.gz RCOPYDSQAKGSFQ-UHFFFAOYSA-N 1 2 235.331 1.380 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000411793366 191211993 /nfs/dbraw/zinc/21/19/93/191211993.db2.gz RCOPYDSQAKGSFQ-UHFFFAOYSA-N 1 2 235.331 1.380 20 0 BDADLO COC[C@@H](C(N)=O)[N@H+](C)C/C=C/c1ccccc1 ZINC000411809198 191215925 /nfs/dbraw/zinc/21/59/25/191215925.db2.gz YNVJYEQTLDAPIL-PPGNKHEKSA-N 1 2 248.326 1.132 20 0 BDADLO COC[C@@H](C(N)=O)[N@@H+](C)C/C=C/c1ccccc1 ZINC000411809198 191215927 /nfs/dbraw/zinc/21/59/27/191215927.db2.gz YNVJYEQTLDAPIL-PPGNKHEKSA-N 1 2 248.326 1.132 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000411837895 191216657 /nfs/dbraw/zinc/21/66/57/191216657.db2.gz AKVDTJHSQJMUJX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000411837895 191216659 /nfs/dbraw/zinc/21/66/59/191216659.db2.gz AKVDTJHSQJMUJX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](C2CCC2)C1 ZINC000411840795 191216759 /nfs/dbraw/zinc/21/67/59/191216759.db2.gz CXFYFJBTUGYEBN-CYBMUJFWSA-N 1 2 249.358 1.904 20 0 BDADLO COC(=O)CC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411929255 191229670 /nfs/dbraw/zinc/22/96/70/191229670.db2.gz XCXBJAFMURACGG-UHFFFAOYSA-N 1 2 247.294 1.768 20 0 BDADLO COC(=O)CC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411929255 191229671 /nfs/dbraw/zinc/22/96/71/191229671.db2.gz XCXBJAFMURACGG-UHFFFAOYSA-N 1 2 247.294 1.768 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](CC[C@H](C)O)C2 ZINC000411954286 191233757 /nfs/dbraw/zinc/23/37/57/191233757.db2.gz PCHYIQJKMAADNB-JTQLQIEISA-N 1 2 233.311 1.976 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](CC[C@H](C)O)C2 ZINC000411954286 191233759 /nfs/dbraw/zinc/23/37/59/191233759.db2.gz PCHYIQJKMAADNB-JTQLQIEISA-N 1 2 233.311 1.976 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411941728 191230930 /nfs/dbraw/zinc/23/09/30/191230930.db2.gz LUOJAZUAEBGZAN-STQMWFEESA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411941728 191230933 /nfs/dbraw/zinc/23/09/33/191230933.db2.gz LUOJAZUAEBGZAN-STQMWFEESA-N 1 2 249.310 1.357 20 0 BDADLO Cc1nc(NCC(=O)NC2CCCCC2)cc[nH+]1 ZINC000608081009 352730520 /nfs/dbraw/zinc/73/05/20/352730520.db2.gz FDJOGOGWBUAXCZ-UHFFFAOYSA-N 1 2 248.330 1.068 20 0 BDADLO CO[C@@H](CNc1c[nH+]cc(C)c1)[C@H]1CCOC1 ZINC000638787513 352743483 /nfs/dbraw/zinc/74/34/83/352743483.db2.gz IOWLQKSLITZVDG-AAEUAGOBSA-N 1 2 236.315 1.853 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cn(C)nn2)CCS1 ZINC000334217414 352817927 /nfs/dbraw/zinc/81/79/27/352817927.db2.gz WQNPDNHEIQJWIH-NSHDSACASA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cn(C)nn2)CCS1 ZINC000334217414 352817928 /nfs/dbraw/zinc/81/79/28/352817928.db2.gz WQNPDNHEIQJWIH-NSHDSACASA-N 1 2 240.376 1.389 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C(F)F ZINC000334218477 352819346 /nfs/dbraw/zinc/81/93/46/352819346.db2.gz TWDGRABXRXSCKV-MRVPVSSYSA-N 1 2 229.230 1.139 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1(C(F)F)CC1 ZINC000334200097 352793133 /nfs/dbraw/zinc/79/31/33/352793133.db2.gz NCBBGTLXVWOENG-UHFFFAOYSA-N 1 2 241.241 1.731 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000334211632 352809122 /nfs/dbraw/zinc/80/91/22/352809122.db2.gz HEIGNCGRBLCDSI-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ncccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000334211632 352809124 /nfs/dbraw/zinc/80/91/24/352809124.db2.gz HEIGNCGRBLCDSI-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CC[C@@H](F)C2)cc[nH+]1 ZINC000334236380 352854439 /nfs/dbraw/zinc/85/44/39/352854439.db2.gz HUMFZGWKCPJCFK-NXEZZACHSA-N 1 2 237.278 1.824 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000412065116 191257340 /nfs/dbraw/zinc/25/73/40/191257340.db2.gz FOCQMZRZDPFYQS-FFAUQURTSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000412065116 191257343 /nfs/dbraw/zinc/25/73/43/191257343.db2.gz FOCQMZRZDPFYQS-FFAUQURTSA-N 1 2 247.338 1.781 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCCC3)nn1C ZINC000342873775 352884931 /nfs/dbraw/zinc/88/49/31/352884931.db2.gz XJEQHXWIZDAUAR-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCCC3)nn1C ZINC000342873775 352884936 /nfs/dbraw/zinc/88/49/36/352884936.db2.gz XJEQHXWIZDAUAR-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1ccoc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000041999113 187909079 /nfs/dbraw/zinc/90/90/79/187909079.db2.gz JPHVYKWZYWMWHD-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H]3CCC[C@H]32)n1C ZINC000334262954 352896630 /nfs/dbraw/zinc/89/66/30/352896630.db2.gz JIUFMTNWHWDMMF-NXEZZACHSA-N 1 2 206.293 1.108 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H]3CCC[C@H]32)n1C ZINC000334262954 352896633 /nfs/dbraw/zinc/89/66/33/352896633.db2.gz JIUFMTNWHWDMMF-NXEZZACHSA-N 1 2 206.293 1.108 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334264285 352898619 /nfs/dbraw/zinc/89/86/19/352898619.db2.gz KVQRPWGNWPLMBL-DTWKUNHWSA-N 1 2 221.304 1.744 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334264285 352898622 /nfs/dbraw/zinc/89/86/22/352898622.db2.gz KVQRPWGNWPLMBL-DTWKUNHWSA-N 1 2 221.304 1.744 20 0 BDADLO Cc1cc(NC(=O)Cc2cccnc2C)cc[nH+]1 ZINC000334265550 352900331 /nfs/dbraw/zinc/90/03/31/352900331.db2.gz LTMMMFZDVVNJEB-UHFFFAOYSA-N 1 2 241.294 1.697 20 0 BDADLO Cc1nc(N2CCO[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000608086660 352978515 /nfs/dbraw/zinc/97/85/15/352978515.db2.gz HBTNTJHAQLYGAI-QMMMGPOBSA-N 1 2 247.220 1.553 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000334331185 352967854 /nfs/dbraw/zinc/96/78/54/352967854.db2.gz KZCCNHCOFCEYNI-LLVKDONJSA-N 1 2 228.267 1.198 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CC[C@](F)(CO)C1 ZINC000334331185 352967857 /nfs/dbraw/zinc/96/78/57/352967857.db2.gz KZCCNHCOFCEYNI-LLVKDONJSA-N 1 2 228.267 1.198 20 0 BDADLO CO[C@@]1(C[N@@H+]2CCC(F)(F)C2)CCOC1 ZINC000638842724 353019065 /nfs/dbraw/zinc/01/90/65/353019065.db2.gz ZLOAQCCEEORZII-SECBINFHSA-N 1 2 221.247 1.133 20 0 BDADLO CO[C@@]1(C[N@H+]2CCC(F)(F)C2)CCOC1 ZINC000638842724 353019068 /nfs/dbraw/zinc/01/90/68/353019068.db2.gz ZLOAQCCEEORZII-SECBINFHSA-N 1 2 221.247 1.133 20 0 BDADLO CC(C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617481430 353073412 /nfs/dbraw/zinc/07/34/12/353073412.db2.gz SRONJGWKGKRCJG-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334381773 353048020 /nfs/dbraw/zinc/04/80/20/353048020.db2.gz JWRSLOKRNWXSTQ-AAEUAGOBSA-N 1 2 247.342 1.702 20 0 BDADLO CCOCCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000092962933 538108234 /nfs/dbraw/zinc/10/82/34/538108234.db2.gz VIUAGMGJRCTWOC-UHFFFAOYSA-N 1 2 247.302 1.135 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2CC)C[C@H](C)O1 ZINC000119959742 188000168 /nfs/dbraw/zinc/00/01/68/188000168.db2.gz WNMIPYFTSSHOAV-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CC)C[C@H](C)O1 ZINC000119959742 188000170 /nfs/dbraw/zinc/00/01/70/188000170.db2.gz WNMIPYFTSSHOAV-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000185521597 188000189 /nfs/dbraw/zinc/00/01/89/188000189.db2.gz YIJOSEVCUPDTJO-DGCLKSJQSA-N 1 2 235.331 1.682 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000189822498 188002419 /nfs/dbraw/zinc/00/24/19/188002419.db2.gz ICJMYMMMGLYHLE-FSIBCCDJSA-N 1 2 230.739 1.585 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000189822498 188002420 /nfs/dbraw/zinc/00/24/20/188002420.db2.gz ICJMYMMMGLYHLE-FSIBCCDJSA-N 1 2 230.739 1.585 20 0 BDADLO c1c[nH]c(Sc2cc(-n3cc[nH+]c3)ncn2)n1 ZINC000608091815 353116917 /nfs/dbraw/zinc/11/69/17/353116917.db2.gz VXZWBLRIIZAAEY-UHFFFAOYSA-N 1 2 244.283 1.537 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000365141534 188007577 /nfs/dbraw/zinc/00/75/77/188007577.db2.gz RRXRLJIFWKPABJ-GFCCVEGCSA-N 1 2 247.342 1.918 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@@H]1COCCO1 ZINC000336643564 188011663 /nfs/dbraw/zinc/01/16/63/188011663.db2.gz CYFARGXLEJBYLO-SECBINFHSA-N 1 2 223.263 1.377 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1COCCO1 ZINC000336643564 188011665 /nfs/dbraw/zinc/01/16/65/188011665.db2.gz CYFARGXLEJBYLO-SECBINFHSA-N 1 2 223.263 1.377 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000337375862 188014938 /nfs/dbraw/zinc/01/49/38/188014938.db2.gz VKIGYCUYZGQVLF-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000337375862 188014940 /nfs/dbraw/zinc/01/49/40/188014940.db2.gz VKIGYCUYZGQVLF-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(=O)CCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000337499768 188015360 /nfs/dbraw/zinc/01/53/60/188015360.db2.gz LCJOMVOTLOHANL-NSHDSACASA-N 1 2 249.314 1.105 20 0 BDADLO COc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000335945369 188018267 /nfs/dbraw/zinc/01/82/67/188018267.db2.gz HSRFOWSFIFFLLD-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@@]12CCOC2 ZINC000367459279 188019640 /nfs/dbraw/zinc/01/96/40/188019640.db2.gz RZDDLRDFHBCDLF-ZDUSSCGKSA-N 1 2 249.314 1.702 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCC[C@@]12CCOC2 ZINC000367459279 188019642 /nfs/dbraw/zinc/01/96/42/188019642.db2.gz RZDDLRDFHBCDLF-ZDUSSCGKSA-N 1 2 249.314 1.702 20 0 BDADLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366562233 188020542 /nfs/dbraw/zinc/02/05/42/188020542.db2.gz VRQKHZXWMQFYKE-UONOGXRCSA-N 1 2 246.310 1.618 20 0 BDADLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366562233 188020544 /nfs/dbraw/zinc/02/05/44/188020544.db2.gz VRQKHZXWMQFYKE-UONOGXRCSA-N 1 2 246.310 1.618 20 0 BDADLO CC(=O)NC1CCC(Nc2cccc[nH+]2)CC1 ZINC000263671121 188020642 /nfs/dbraw/zinc/02/06/42/188020642.db2.gz GGTVKLZRUSGCNX-UHFFFAOYSA-N 1 2 233.315 1.941 20 0 BDADLO C/C(=C\C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000265125028 188021813 /nfs/dbraw/zinc/02/18/13/188021813.db2.gz PBXTXDYDSIKDNK-SOFGYWHQSA-N 1 2 205.261 1.382 20 0 BDADLO CC(=CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000265125028 188021815 /nfs/dbraw/zinc/02/18/15/188021815.db2.gz PBXTXDYDSIKDNK-SOFGYWHQSA-N 1 2 205.261 1.382 20 0 BDADLO Cc1nc(N(C)Cc2cscn2)cc[nH+]1 ZINC000266313127 188022179 /nfs/dbraw/zinc/02/21/79/188022179.db2.gz DSQPSLNJVDTFHU-UHFFFAOYSA-N 1 2 220.301 1.878 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccco2)[C@@H](C)C1 ZINC000271163756 188026387 /nfs/dbraw/zinc/02/63/87/188026387.db2.gz FGIPMSNXJWPHKQ-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccco2)[C@@H](C)C1 ZINC000271163756 188026389 /nfs/dbraw/zinc/02/63/89/188026389.db2.gz FGIPMSNXJWPHKQ-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)NCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353173735 188026660 /nfs/dbraw/zinc/02/66/60/188026660.db2.gz PABMFOMQOBODTI-VIFPVBQESA-N 1 2 220.263 1.242 20 0 BDADLO CC(=O)NCCC[N@H+]1CCC[C@H]1C(F)F ZINC000353173735 188026662 /nfs/dbraw/zinc/02/66/62/188026662.db2.gz PABMFOMQOBODTI-VIFPVBQESA-N 1 2 220.263 1.242 20 0 BDADLO Cc1nc(N(C)[C@H]2CC[C@H](O)CC2)cc[nH+]1 ZINC000275844869 188028630 /nfs/dbraw/zinc/02/86/30/188028630.db2.gz HFZUORZPKSSSME-XYPYZODXSA-N 1 2 221.304 1.525 20 0 BDADLO C/C=C(/CC)C(=O)NCCCn1cc[nH+]c1 ZINC000276367699 188028691 /nfs/dbraw/zinc/02/86/91/188028691.db2.gz BKJMOADCPJTARG-JYOAFUTRSA-N 1 2 221.304 1.746 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccn[nH]1)c1[nH]cc[nH+]1 ZINC000276623047 188029309 /nfs/dbraw/zinc/02/93/09/188029309.db2.gz OIWCMDASIFZPAZ-VIFPVBQESA-N 1 2 233.275 1.260 20 0 BDADLO CC(C)(C)n1ncnc1Cn1cc[nH+]c1 ZINC000282275135 188032764 /nfs/dbraw/zinc/03/27/64/188032764.db2.gz UJEWFQXOPPBMTA-UHFFFAOYSA-N 1 2 205.265 1.278 20 0 BDADLO Cc1coc(C)c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000284073279 188033049 /nfs/dbraw/zinc/03/30/49/188033049.db2.gz WASAKELFMIQNON-UHFFFAOYSA-N 1 2 248.326 1.817 20 0 BDADLO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccn[nH]2)c1 ZINC000283124842 188033944 /nfs/dbraw/zinc/03/39/44/188033944.db2.gz ZHCRSALOHBVSSA-AWEZNQCLSA-N 1 2 245.326 1.850 20 0 BDADLO CC(C)[C@H](C)SCC(=O)N1CC[NH+](C)CC1 ZINC000340697118 188044278 /nfs/dbraw/zinc/04/42/78/188044278.db2.gz PJRXTNMWWOEKEZ-NSHDSACASA-N 1 2 244.404 1.538 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@H]1CCNC1=O)CCO2 ZINC000285737673 188034719 /nfs/dbraw/zinc/03/47/19/188034719.db2.gz XZHBAYKZTQAPRO-LBPRGKRZSA-N 1 2 246.310 1.078 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@H]1CCNC1=O)CCO2 ZINC000285737673 188034720 /nfs/dbraw/zinc/03/47/20/188034720.db2.gz XZHBAYKZTQAPRO-LBPRGKRZSA-N 1 2 246.310 1.078 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C[C@@H](C)O ZINC000291795827 188036910 /nfs/dbraw/zinc/03/69/10/188036910.db2.gz PXXDGEWEALLHRX-SECBINFHSA-N 1 2 237.303 1.543 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000295162069 188038623 /nfs/dbraw/zinc/03/86/23/188038623.db2.gz NHSDABXJIBUTBL-CYBMUJFWSA-N 1 2 247.342 1.523 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000295162069 188038624 /nfs/dbraw/zinc/03/86/24/188038624.db2.gz NHSDABXJIBUTBL-CYBMUJFWSA-N 1 2 247.342 1.523 20 0 BDADLO COc1ccc(C[N@H+](C2CC2)C2COC2)nc1 ZINC000295546751 188039406 /nfs/dbraw/zinc/03/94/06/188039406.db2.gz WSJUKBVLPQHBEM-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO COc1ccc(C[N@@H+](C2CC2)C2COC2)nc1 ZINC000295546751 188039408 /nfs/dbraw/zinc/03/94/08/188039408.db2.gz WSJUKBVLPQHBEM-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC1 ZINC000298323379 188040251 /nfs/dbraw/zinc/04/02/51/188040251.db2.gz WQFAWOVOKLDKOQ-UHFFFAOYSA-N 1 2 228.255 1.113 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000299134900 188041573 /nfs/dbraw/zinc/04/15/73/188041573.db2.gz NPYNGJVOXGUHRI-NSHDSACASA-N 1 2 243.310 1.792 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC=CCC1 ZINC000192939861 188004445 /nfs/dbraw/zinc/00/44/45/188004445.db2.gz RWADNFOMRFKORU-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)nc1 ZINC000336262562 188053739 /nfs/dbraw/zinc/05/37/39/188053739.db2.gz AVOUJYLQSRCBMI-VIFPVBQESA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)nc1 ZINC000336262562 188053740 /nfs/dbraw/zinc/05/37/40/188053740.db2.gz AVOUJYLQSRCBMI-VIFPVBQESA-N 1 2 210.252 1.634 20 0 BDADLO c1nnc2n1CC[N@@H+]([C@H]1/C=C/CCCCC1)C2 ZINC000336326443 188055064 /nfs/dbraw/zinc/05/50/64/188055064.db2.gz GXTFMJGLMKMZBV-FUEXJSSKSA-N 1 2 232.331 1.983 20 0 BDADLO c1nnc2n1CC[N@H+]([C@H]1/C=C/CCCCC1)C2 ZINC000336326443 188055066 /nfs/dbraw/zinc/05/50/66/188055066.db2.gz GXTFMJGLMKMZBV-FUEXJSSKSA-N 1 2 232.331 1.983 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(F)c1F ZINC000336424810 188056243 /nfs/dbraw/zinc/05/62/43/188056243.db2.gz AXIVHZGUSGMPCM-ZJUUUORDSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(F)c1F ZINC000336424810 188056245 /nfs/dbraw/zinc/05/62/45/188056245.db2.gz AXIVHZGUSGMPCM-ZJUUUORDSA-N 1 2 245.244 1.870 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000073950857 353177173 /nfs/dbraw/zinc/17/71/73/353177173.db2.gz WIELIGUKKMVCPO-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO COCCC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000291364865 538110556 /nfs/dbraw/zinc/11/05/56/538110556.db2.gz YRFXWDJXTJIPSK-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCC[C@]2(C)CO)no1 ZINC000331008957 353211964 /nfs/dbraw/zinc/21/19/64/353211964.db2.gz MMSGYMFAGZTGNC-JOYOIKCWSA-N 1 2 239.319 1.273 20 0 BDADLO CC[C@@H](COC)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134568420 538113562 /nfs/dbraw/zinc/11/35/62/538113562.db2.gz HZSSORMNJJZRAN-WPRPVWTQSA-N 1 2 211.309 1.794 20 0 BDADLO Cc1nc(N(C)[C@H]2CCCOC2)cc[nH+]1 ZINC000343264808 353276239 /nfs/dbraw/zinc/27/62/39/353276239.db2.gz MASVALJLBPPNLJ-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO COC1(C[NH2+][C@H](C)c2cn[nH]c2C)CCC1 ZINC000134718161 538113736 /nfs/dbraw/zinc/11/37/36/538113736.db2.gz SXMAGYQKOIMVEH-SECBINFHSA-N 1 2 223.320 1.938 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000134562252 538113251 /nfs/dbraw/zinc/11/32/51/538113251.db2.gz PBKVSGJKEUZTAF-PSASIEDQSA-N 1 2 211.309 1.530 20 0 BDADLO c1cc(C[NH2+]Cc2cc(C3CC3)no2)on1 ZINC000639040700 353317657 /nfs/dbraw/zinc/31/76/57/353317657.db2.gz ADJTULMFTDYAHJ-UHFFFAOYSA-N 1 2 219.244 1.830 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)sn1 ZINC000639054966 353356665 /nfs/dbraw/zinc/35/66/65/353356665.db2.gz WTWNHUPDUGRHDJ-NSHDSACASA-N 1 2 240.328 1.134 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)sn1 ZINC000639054966 353356667 /nfs/dbraw/zinc/35/66/67/353356667.db2.gz WTWNHUPDUGRHDJ-NSHDSACASA-N 1 2 240.328 1.134 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ncn(C)n1 ZINC000639084545 353422163 /nfs/dbraw/zinc/42/21/63/353422163.db2.gz PBCJIVUOMPFJBO-BIIVOSGPSA-N 1 2 230.262 1.509 20 0 BDADLO CCC[C@@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083973 353424344 /nfs/dbraw/zinc/42/43/44/353424344.db2.gz HTQIZODZFPSSRK-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083973 353424346 /nfs/dbraw/zinc/42/43/46/353424346.db2.gz HTQIZODZFPSSRK-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CCC23CCC3)n1 ZINC000081515650 353408867 /nfs/dbraw/zinc/40/88/67/353408867.db2.gz NVFYAJBZNDNGCP-SECBINFHSA-N 1 2 237.303 1.905 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CCC23CCC3)n1 ZINC000081515650 353408869 /nfs/dbraw/zinc/40/88/69/353408869.db2.gz NVFYAJBZNDNGCP-SECBINFHSA-N 1 2 237.303 1.905 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)Cc1c[nH+]cn1C ZINC000563742414 353453672 /nfs/dbraw/zinc/45/36/72/353453672.db2.gz QOMBYIMQXTWJHJ-SSDOTTSWSA-N 1 2 249.236 1.420 20 0 BDADLO O[C@H]1C[N@H+](CCC[C@H]2CCO2)CC(F)(F)C1 ZINC000639096054 353483032 /nfs/dbraw/zinc/48/30/32/353483032.db2.gz ZQTTUQFSIWPTDP-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1C[N@@H+](CCC[C@H]2CCO2)CC(F)(F)C1 ZINC000639096054 353483033 /nfs/dbraw/zinc/48/30/33/353483033.db2.gz ZQTTUQFSIWPTDP-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO Cc1cc(N2CC[C@](C)(O)C2)nc(C(C)C)[nH+]1 ZINC000230186124 353475020 /nfs/dbraw/zinc/47/50/20/353475020.db2.gz NFDZLQIZGRWJCS-ZDUSSCGKSA-N 1 2 235.331 1.870 20 0 BDADLO CC[C@](C)(C[N@@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639095265 353480092 /nfs/dbraw/zinc/48/00/92/353480092.db2.gz MPULWBPXWACINF-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@](C)(C[N@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639095265 353480093 /nfs/dbraw/zinc/48/00/93/353480093.db2.gz MPULWBPXWACINF-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)cc(C)c1O ZINC000398389051 363228992 /nfs/dbraw/zinc/22/89/92/363228992.db2.gz YPEDCVTXBYNAMD-UHFFFAOYSA-N 1 2 232.287 1.417 20 0 BDADLO Cc1cc(C[NH2+]Cc2c[nH]nn2)cc(C)c1O ZINC000398389051 363228993 /nfs/dbraw/zinc/22/89/93/363228993.db2.gz YPEDCVTXBYNAMD-UHFFFAOYSA-N 1 2 232.287 1.417 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn[nH]n2)cc(C)c1O ZINC000398389051 363228995 /nfs/dbraw/zinc/22/89/95/363228995.db2.gz YPEDCVTXBYNAMD-UHFFFAOYSA-N 1 2 232.287 1.417 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639099345 353504942 /nfs/dbraw/zinc/50/49/42/353504942.db2.gz PEECNVVBGYAADR-JQWIXIFHSA-N 1 2 238.335 1.470 20 0 BDADLO CC[C@@](C)(C[N@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639099345 353504944 /nfs/dbraw/zinc/50/49/44/353504944.db2.gz PEECNVVBGYAADR-JQWIXIFHSA-N 1 2 238.335 1.470 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cncc(C)c1 ZINC000189809961 353587611 /nfs/dbraw/zinc/58/76/11/353587611.db2.gz HMIDOFBNWFDEKT-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cncc(C)c1 ZINC000189809961 353587615 /nfs/dbraw/zinc/58/76/15/353587615.db2.gz HMIDOFBNWFDEKT-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2cc[nH]n2)o1 ZINC000336779973 353562378 /nfs/dbraw/zinc/56/23/78/353562378.db2.gz PZCQWMAYHBLFRF-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CC(C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577876049 366094469 /nfs/dbraw/zinc/09/44/69/366094469.db2.gz KZKYJLFBFMLVLM-JTQLQIEISA-N 1 2 209.293 1.701 20 0 BDADLO c1c[nH+]c(COCCCO[C@@H]2CCCCO2)[nH]1 ZINC000189872758 353694437 /nfs/dbraw/zinc/69/44/37/353694437.db2.gz FSWFDPBQSYZELH-GFCCVEGCSA-N 1 2 240.303 1.860 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12CCCC(C)(C)C2 ZINC000189889864 353714770 /nfs/dbraw/zinc/71/47/70/353714770.db2.gz WLXZZIUOJKKJEH-GFCCVEGCSA-N 1 2 210.321 1.735 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12CCCC(C)(C)C2 ZINC000189889864 353714773 /nfs/dbraw/zinc/71/47/73/353714773.db2.gz WLXZZIUOJKKJEH-GFCCVEGCSA-N 1 2 210.321 1.735 20 0 BDADLO Cc1ccc(C[N@H+](CC(=O)N2CCC2)C2CC2)o1 ZINC000613443815 363262709 /nfs/dbraw/zinc/26/27/09/363262709.db2.gz QZGSEOGOVUXUNR-UHFFFAOYSA-N 1 2 248.326 1.785 20 0 BDADLO Cc1ccc(C[N@@H+](CC(=O)N2CCC2)C2CC2)o1 ZINC000613443815 363262712 /nfs/dbraw/zinc/26/27/12/363262712.db2.gz QZGSEOGOVUXUNR-UHFFFAOYSA-N 1 2 248.326 1.785 20 0 BDADLO CCc1ccc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000580346967 353816645 /nfs/dbraw/zinc/81/66/45/353816645.db2.gz GPHBTHHVMSRQEY-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCc1ccc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000580346967 353816647 /nfs/dbraw/zinc/81/66/47/353816647.db2.gz GPHBTHHVMSRQEY-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000639128360 353834297 /nfs/dbraw/zinc/83/42/97/353834297.db2.gz VTKSIOSGLSZYAV-JGVFFNPUSA-N 1 2 225.292 1.460 20 0 BDADLO Fc1cncc(C[NH+]2CCSCC2)c1 ZINC000274397188 181019953 /nfs/dbraw/zinc/01/99/53/181019953.db2.gz XEDTYARNAPZNTG-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO Fc1cncc(COCc2[nH]cc[nH+]2)c1 ZINC000341349273 181020981 /nfs/dbraw/zinc/02/09/81/181020981.db2.gz IDFXNFLHADVLHA-UHFFFAOYSA-N 1 2 207.208 1.661 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCO[C@H]2c2cccnc2)[nH]n1 ZINC000343383809 353875768 /nfs/dbraw/zinc/87/57/68/353875768.db2.gz IPXWMCGWDMPCEE-OLZOCXBDSA-N 1 2 244.298 1.425 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1[C@H](C)C[C@H]1C ZINC000334520074 353883792 /nfs/dbraw/zinc/88/37/92/353883792.db2.gz VPNXDRXBXNAUJJ-NXEZZACHSA-N 1 2 236.319 1.595 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@](F)(CO)C2)s1 ZINC000639144913 353850877 /nfs/dbraw/zinc/85/08/77/353850877.db2.gz HSKQSMDGPMYIHF-JTQLQIEISA-N 1 2 246.307 1.058 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@](F)(CO)C2)s1 ZINC000639144913 353850879 /nfs/dbraw/zinc/85/08/79/353850879.db2.gz HSKQSMDGPMYIHF-JTQLQIEISA-N 1 2 246.307 1.058 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)CC1CCCC1 ZINC000577947427 366127736 /nfs/dbraw/zinc/12/77/36/366127736.db2.gz CZPGVISWPHKGGA-LBPRGKRZSA-N 1 2 223.320 1.441 20 0 BDADLO Cc1nc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)c(C)c(C)[nH+]1 ZINC000343474804 353901549 /nfs/dbraw/zinc/90/15/49/353901549.db2.gz LPAAWSGXKVPVDZ-AVGNSLFASA-N 1 2 247.342 1.609 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000343687561 353964405 /nfs/dbraw/zinc/96/44/05/353964405.db2.gz KGILNUNJXJCWMP-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000343687561 353964407 /nfs/dbraw/zinc/96/44/07/353964407.db2.gz KGILNUNJXJCWMP-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO CC[C@H](F)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343737919 353968966 /nfs/dbraw/zinc/96/89/66/353968966.db2.gz BGODLVXWHGOMTG-VIFPVBQESA-N 1 2 242.298 1.438 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H]1C(F)F ZINC000343750193 353972057 /nfs/dbraw/zinc/97/20/57/353972057.db2.gz ATJKOCKLPBKLHR-VDTYLAMSSA-N 1 2 239.229 1.429 20 0 BDADLO O=C1NCCC[C@H]1Sc1[nH+]cc2ccccn21 ZINC000334552282 353993065 /nfs/dbraw/zinc/99/30/65/353993065.db2.gz QDWRCXUTKLFWOQ-SNVBAGLBSA-N 1 2 247.323 1.705 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343723699 353959502 /nfs/dbraw/zinc/95/95/02/353959502.db2.gz ZXZZGUSBILZXTP-VXGBXAGGSA-N 1 2 249.358 1.854 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000343914913 354040701 /nfs/dbraw/zinc/04/07/01/354040701.db2.gz VZFSZTCYABDAIK-VHSXEESVSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000343914913 354040703 /nfs/dbraw/zinc/04/07/03/354040703.db2.gz VZFSZTCYABDAIK-VHSXEESVSA-N 1 2 238.335 1.062 20 0 BDADLO CCCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449645080 201995216 /nfs/dbraw/zinc/99/52/16/201995216.db2.gz IANKHQGIMCGOMR-SECBINFHSA-N 1 2 234.290 1.538 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000343963899 354075287 /nfs/dbraw/zinc/07/52/87/354075287.db2.gz QEGUXYNCKQGHJS-NXEZZACHSA-N 1 2 207.277 1.188 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)C(C)(C)C ZINC000343972124 354077580 /nfs/dbraw/zinc/07/75/80/354077580.db2.gz ONDKXSCLSXUJBB-SNVBAGLBSA-N 1 2 245.363 1.667 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)C(C)(C)C ZINC000343972124 354077583 /nfs/dbraw/zinc/07/75/83/354077583.db2.gz ONDKXSCLSXUJBB-SNVBAGLBSA-N 1 2 245.363 1.667 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCC(C)(C)OC ZINC000230414463 363310123 /nfs/dbraw/zinc/31/01/23/363310123.db2.gz LVLKKEYZUQGZQW-UHFFFAOYSA-N 1 2 217.309 1.343 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC12CCC2 ZINC000344137388 354150483 /nfs/dbraw/zinc/15/04/83/354150483.db2.gz QCTJMGJDHHDYDN-LLVKDONJSA-N 1 2 245.326 1.601 20 0 BDADLO CSC1(C[NH2+][C@@H](C)C(=O)OC(C)C)CC1 ZINC000449668773 202000890 /nfs/dbraw/zinc/00/08/90/202000890.db2.gz WXXHNUFKNPZDKW-VIFPVBQESA-N 1 2 231.361 1.812 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccnc1 ZINC000344151337 354155947 /nfs/dbraw/zinc/15/59/47/354155947.db2.gz BIIKOHWOTHTVAO-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCCc2occc2C1 ZINC000344240523 354187143 /nfs/dbraw/zinc/18/71/43/354187143.db2.gz CQNRAQWRMODDKQ-ZDUSSCGKSA-N 1 2 249.310 1.979 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCCc2occc2C1 ZINC000344240523 354187144 /nfs/dbraw/zinc/18/71/44/354187144.db2.gz CQNRAQWRMODDKQ-ZDUSSCGKSA-N 1 2 249.310 1.979 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccno1 ZINC000334584473 354207268 /nfs/dbraw/zinc/20/72/68/354207268.db2.gz QSNKZNOZVPSRIO-NSHDSACASA-N 1 2 223.276 1.954 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccno1 ZINC000334584473 354207269 /nfs/dbraw/zinc/20/72/69/354207269.db2.gz QSNKZNOZVPSRIO-NSHDSACASA-N 1 2 223.276 1.954 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000344467044 354266139 /nfs/dbraw/zinc/26/61/39/354266139.db2.gz QJRKFOIXTCRDAL-LMLFDSFASA-N 1 2 243.347 1.587 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344345143 354237742 /nfs/dbraw/zinc/23/77/42/354237742.db2.gz JHEAQBXYYUTFSM-BDAKNGLRSA-N 1 2 233.315 1.429 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344345143 354237744 /nfs/dbraw/zinc/23/77/44/354237744.db2.gz JHEAQBXYYUTFSM-BDAKNGLRSA-N 1 2 233.315 1.429 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1nncs1 ZINC000232289172 363366593 /nfs/dbraw/zinc/36/65/93/363366593.db2.gz VFPYKGLEUUJNDU-UHFFFAOYSA-N 1 2 223.305 1.928 20 0 BDADLO c1nc(C[NH+]2CC3(C2)CCCOC3)cs1 ZINC000334600725 354278298 /nfs/dbraw/zinc/27/82/98/354278298.db2.gz VIZDDUVAUDRUGF-UHFFFAOYSA-N 1 2 224.329 1.756 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334610130 354317459 /nfs/dbraw/zinc/31/74/59/354317459.db2.gz SBZVLECPQSFNGO-TXEJJXNPSA-N 1 2 223.272 1.188 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334610130 354317464 /nfs/dbraw/zinc/31/74/64/354317464.db2.gz SBZVLECPQSFNGO-TXEJJXNPSA-N 1 2 223.272 1.188 20 0 BDADLO CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000366872949 354325760 /nfs/dbraw/zinc/32/57/60/354325760.db2.gz GXCOSCNLYZIZQB-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CN(CCCNC(=O)C1CCC1)c1cccc[nH+]1 ZINC000344710997 354353567 /nfs/dbraw/zinc/35/35/67/354353567.db2.gz PJHQTWAKYSIXKB-UHFFFAOYSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCCOC(C)C ZINC000344994141 354390158 /nfs/dbraw/zinc/39/01/58/354390158.db2.gz PPWMOHHEEPCGPC-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000578037531 366199289 /nfs/dbraw/zinc/19/92/89/366199289.db2.gz GGPZKBJHWSCVPY-VXGBXAGGSA-N 1 2 246.310 1.753 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cn2)[C@H]1C ZINC000344977879 354405160 /nfs/dbraw/zinc/40/51/60/354405160.db2.gz DZCZPDLBWMBRKA-VHSXEESVSA-N 1 2 235.287 1.173 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000578023052 366187213 /nfs/dbraw/zinc/18/72/13/366187213.db2.gz NQXNNPFXQATNMC-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000578023052 366187215 /nfs/dbraw/zinc/18/72/15/366187215.db2.gz NQXNNPFXQATNMC-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000578023052 366187220 /nfs/dbraw/zinc/18/72/20/366187220.db2.gz NQXNNPFXQATNMC-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000578023052 366187224 /nfs/dbraw/zinc/18/72/24/366187224.db2.gz NQXNNPFXQATNMC-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000578023052 366187225 /nfs/dbraw/zinc/18/72/25/366187225.db2.gz NQXNNPFXQATNMC-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO C[NH+]1CCC[C@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334674111 354416653 /nfs/dbraw/zinc/41/66/53/354416653.db2.gz IWLXLRXZBDQDKA-AWEZNQCLSA-N 1 2 248.374 1.301 20 0 BDADLO Cc1nc(C[NH2+]C2(CF)CCOCC2)[nH]c1C ZINC000578027198 366193174 /nfs/dbraw/zinc/19/31/74/366193174.db2.gz RHSXJSMFEHLJPJ-UHFFFAOYSA-N 1 2 241.310 1.635 20 0 BDADLO Cc1[nH]c(CNC2(CF)CCOCC2)[nH+]c1C ZINC000578027198 366193181 /nfs/dbraw/zinc/19/31/81/366193181.db2.gz RHSXJSMFEHLJPJ-UHFFFAOYSA-N 1 2 241.310 1.635 20 0 BDADLO c1snnc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000334679268 354423978 /nfs/dbraw/zinc/42/39/78/354423978.db2.gz NCAFJDNCQUBDSN-JTQLQIEISA-N 1 2 241.385 1.866 20 0 BDADLO c1snnc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000334679268 354423980 /nfs/dbraw/zinc/42/39/80/354423980.db2.gz NCAFJDNCQUBDSN-JTQLQIEISA-N 1 2 241.385 1.866 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CC(C)(CO)C1 ZINC000334681775 354428064 /nfs/dbraw/zinc/42/80/64/354428064.db2.gz AXIGQIYLZHYUNX-UHFFFAOYSA-N 1 2 249.289 1.531 20 0 BDADLO CS[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334652251 354445342 /nfs/dbraw/zinc/44/53/42/354445342.db2.gz RHDUGCCFPUCVQB-QMMMGPOBSA-N 1 2 239.344 1.909 20 0 BDADLO CC(C)=Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000334658877 354455243 /nfs/dbraw/zinc/45/52/43/354455243.db2.gz MXHKDBRCFNOLAK-UHFFFAOYSA-N 1 2 218.260 1.817 20 0 BDADLO CC[C@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000334664733 354466029 /nfs/dbraw/zinc/46/60/29/354466029.db2.gz ZHIAKVVKOSSXKG-LLVKDONJSA-N 1 2 247.298 1.529 20 0 BDADLO c1nc(C[N@@H+]2CCOC[C@H]2C2CCC2)co1 ZINC000578071228 366218878 /nfs/dbraw/zinc/21/88/78/366218878.db2.gz GWLVNOVZFSOPCB-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO c1nc(C[N@H+]2CCOC[C@H]2C2CCC2)co1 ZINC000578071228 366218883 /nfs/dbraw/zinc/21/88/83/366218883.db2.gz GWLVNOVZFSOPCB-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000334749581 354474462 /nfs/dbraw/zinc/47/44/62/354474462.db2.gz QIDAIXBVBOGVHY-SECBINFHSA-N 1 2 245.286 1.116 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](C)C[C@@H](O)C2)cc[nH+]1 ZINC000334692719 354482648 /nfs/dbraw/zinc/48/26/48/354482648.db2.gz AFAUQVFOVDZIIO-BXKDBHETSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000334732613 354532082 /nfs/dbraw/zinc/53/20/82/354532082.db2.gz KZBZOXLSICDDFY-SECBINFHSA-N 1 2 229.711 1.257 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCn1cc(Cl)cn1 ZINC000334732613 354532085 /nfs/dbraw/zinc/53/20/85/354532085.db2.gz KZBZOXLSICDDFY-SECBINFHSA-N 1 2 229.711 1.257 20 0 BDADLO COC1C[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000334732596 354532201 /nfs/dbraw/zinc/53/22/01/354532201.db2.gz KLQYOJKWYRKPGM-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000334732779 354532801 /nfs/dbraw/zinc/53/28/01/354532801.db2.gz SNFFOATVCFIZHF-UHFFFAOYSA-N 1 2 238.360 1.666 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCSC2(CCC2)CC1 ZINC000334732779 354532805 /nfs/dbraw/zinc/53/28/05/354532805.db2.gz SNFFOATVCFIZHF-UHFFFAOYSA-N 1 2 238.360 1.666 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000334735961 354536823 /nfs/dbraw/zinc/53/68/23/354536823.db2.gz YQCAYWRHMMFHTN-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000334735961 354536826 /nfs/dbraw/zinc/53/68/26/354536826.db2.gz YQCAYWRHMMFHTN-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1[C@H](C)C[C@H]1C ZINC000334699078 354491333 /nfs/dbraw/zinc/49/13/33/354491333.db2.gz GBSXFNNAWQXZQO-NXEZZACHSA-N 1 2 249.314 1.783 20 0 BDADLO COc1cc[nH+]c(CN2CC[C@H](F)C2)c1 ZINC000334702265 354495038 /nfs/dbraw/zinc/49/50/38/354495038.db2.gz PFJGEDFTLCGZKO-VIFPVBQESA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccnc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000334702265 354495041 /nfs/dbraw/zinc/49/50/41/354495041.db2.gz PFJGEDFTLCGZKO-VIFPVBQESA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccnc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000334702265 354495044 /nfs/dbraw/zinc/49/50/44/354495044.db2.gz PFJGEDFTLCGZKO-VIFPVBQESA-N 1 2 210.252 1.634 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)co1 ZINC000334711535 354508503 /nfs/dbraw/zinc/50/85/03/354508503.db2.gz WDEOTXWHPUYCGM-UHFFFAOYSA-N 1 2 216.240 1.966 20 0 BDADLO Cn1ncc2c1CCCN(c1cccc[nH+]1)C2 ZINC000334713817 354511120 /nfs/dbraw/zinc/51/11/20/354511120.db2.gz XGRKIWGIEDWGFQ-UHFFFAOYSA-N 1 2 228.299 1.768 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c[nH+]1 ZINC000334716010 354514873 /nfs/dbraw/zinc/51/48/73/354514873.db2.gz MYDHGGRYRRSNNV-JQWIXIFHSA-N 1 2 221.304 1.883 20 0 BDADLO Cc1ccc(NC(=O)C(=O)N2CC(C)C2)c(C)[nH+]1 ZINC000334723461 354523188 /nfs/dbraw/zinc/52/31/88/354523188.db2.gz VMHKUQJNJOPPGP-UHFFFAOYSA-N 1 2 247.298 1.115 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000334724073 354523798 /nfs/dbraw/zinc/52/37/98/354523798.db2.gz ZIZYKWCXKBMVHA-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000334799181 354554543 /nfs/dbraw/zinc/55/45/43/354554543.db2.gz DPOAZTJPICNDDU-VIFPVBQESA-N 1 2 221.304 1.139 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000334799181 354554545 /nfs/dbraw/zinc/55/45/45/354554545.db2.gz DPOAZTJPICNDDU-VIFPVBQESA-N 1 2 221.304 1.139 20 0 BDADLO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccon2)C1 ZINC000334808558 354565923 /nfs/dbraw/zinc/56/59/23/354565923.db2.gz PYWCJBPDPLDAKQ-UONOGXRCSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccon2)C1 ZINC000334808558 354565926 /nfs/dbraw/zinc/56/59/26/354565926.db2.gz PYWCJBPDPLDAKQ-UONOGXRCSA-N 1 2 244.294 1.983 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)NC1CCCC1 ZINC000334811576 354568825 /nfs/dbraw/zinc/56/88/25/354568825.db2.gz NNEVFSHZDDLEJP-VIFPVBQESA-N 1 2 214.284 1.089 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC1CCCC1 ZINC000334811576 354568828 /nfs/dbraw/zinc/56/88/28/354568828.db2.gz NNEVFSHZDDLEJP-VIFPVBQESA-N 1 2 214.284 1.089 20 0 BDADLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](F)C1 ZINC000334812458 354569831 /nfs/dbraw/zinc/56/98/31/354569831.db2.gz QBPDIVSJYIELRN-NEPJUHHUSA-N 1 2 242.338 1.677 20 0 BDADLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](F)C1 ZINC000334812458 354569833 /nfs/dbraw/zinc/56/98/33/354569833.db2.gz QBPDIVSJYIELRN-NEPJUHHUSA-N 1 2 242.338 1.677 20 0 BDADLO CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000334766024 354587679 /nfs/dbraw/zinc/58/76/79/354587679.db2.gz NUBTXQIEUMLRDR-QMMMGPOBSA-N 1 2 247.298 1.856 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2ccccn2)c2[nH+]ccn21 ZINC000334744535 354548077 /nfs/dbraw/zinc/54/80/77/354548077.db2.gz TWRIBYUAWZSKCV-MWLCHTKSSA-N 1 2 242.282 1.714 20 0 BDADLO CCCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345375602 354657037 /nfs/dbraw/zinc/65/70/37/354657037.db2.gz DYQHOGKQRJFJMI-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCC[C@H](F)C1 ZINC000335116916 354707131 /nfs/dbraw/zinc/70/71/31/354707131.db2.gz ROUBLTNUTNVZMQ-IUCAKERBSA-N 1 2 238.262 1.676 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCSCC2)nn1 ZINC000335136353 354786250 /nfs/dbraw/zinc/78/62/50/354786250.db2.gz YWIZXUHGIKVDGO-UHFFFAOYSA-N 1 2 240.376 1.798 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCSCC2)nn1 ZINC000335136353 354786254 /nfs/dbraw/zinc/78/62/54/354786254.db2.gz YWIZXUHGIKVDGO-UHFFFAOYSA-N 1 2 240.376 1.798 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000345943728 354815912 /nfs/dbraw/zinc/81/59/12/354815912.db2.gz RZDGRZFLMUUMKG-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000345943728 354815913 /nfs/dbraw/zinc/81/59/13/354815913.db2.gz RZDGRZFLMUUMKG-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CC/C=C\CC[N@@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346049482 354845497 /nfs/dbraw/zinc/84/54/97/354845497.db2.gz AWCZLFVHVJUANA-HWKXXFMVSA-N 1 2 214.284 1.240 20 0 BDADLO CC/C=C\CC[N@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346049482 354845500 /nfs/dbraw/zinc/84/55/00/354845500.db2.gz AWCZLFVHVJUANA-HWKXXFMVSA-N 1 2 214.284 1.240 20 0 BDADLO O=S1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000335142822 354849641 /nfs/dbraw/zinc/84/96/41/354849641.db2.gz CUTQWFAYXHOGFC-LLVKDONJSA-N 1 2 231.361 1.010 20 0 BDADLO CCOCCN(C)c1nc[nH+]c(N)c1Cl ZINC000233723079 363406413 /nfs/dbraw/zinc/40/64/13/363406413.db2.gz KXYNVMORNFFZMW-UHFFFAOYSA-N 1 2 230.699 1.185 20 0 BDADLO CCOCCN(C)c1[nH+]cnc(N)c1Cl ZINC000233723079 363406415 /nfs/dbraw/zinc/40/64/15/363406415.db2.gz KXYNVMORNFFZMW-UHFFFAOYSA-N 1 2 230.699 1.185 20 0 BDADLO Cn1cc[nH+]c1CN1CCC(F)(F)C1 ZINC000335958607 134023949 /nfs/dbraw/zinc/02/39/49/134023949.db2.gz XTWGWNAWBCQCDC-UHFFFAOYSA-N 1 2 201.220 1.261 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335179948 354953434 /nfs/dbraw/zinc/95/34/34/354953434.db2.gz FVVAXBKSNOOGQH-GXFFZTMASA-N 1 2 235.331 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335179948 354953438 /nfs/dbraw/zinc/95/34/38/354953438.db2.gz FVVAXBKSNOOGQH-GXFFZTMASA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335179948 354953440 /nfs/dbraw/zinc/95/34/40/354953440.db2.gz FVVAXBKSNOOGQH-GXFFZTMASA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335179948 354953444 /nfs/dbraw/zinc/95/34/44/354953444.db2.gz FVVAXBKSNOOGQH-GXFFZTMASA-N 1 2 235.331 1.717 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000639226898 355045052 /nfs/dbraw/zinc/04/50/52/355045052.db2.gz GHXFWAIWPPMFSF-ZETCQYMHSA-N 1 2 216.281 1.696 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000639226898 355045054 /nfs/dbraw/zinc/04/50/54/355045054.db2.gz GHXFWAIWPPMFSF-ZETCQYMHSA-N 1 2 216.281 1.696 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000639228814 355108567 /nfs/dbraw/zinc/10/85/67/355108567.db2.gz QICUIIZSRLCXQL-MNOVXSKESA-N 1 2 223.295 1.915 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000639228814 355108571 /nfs/dbraw/zinc/10/85/71/355108571.db2.gz QICUIIZSRLCXQL-MNOVXSKESA-N 1 2 223.295 1.915 20 0 BDADLO Cc1ncccc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000335247892 355164534 /nfs/dbraw/zinc/16/45/34/355164534.db2.gz BMQHTCZGUGSZNH-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000335247892 355164535 /nfs/dbraw/zinc/16/45/35/355164535.db2.gz BMQHTCZGUGSZNH-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO COc1cccc(CNc2cc(C)[nH+]cn2)n1 ZINC000346901833 355149158 /nfs/dbraw/zinc/14/91/58/355149158.db2.gz JBCYKUBFSOKZSF-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO CC(C)OCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000346968415 355173977 /nfs/dbraw/zinc/17/39/77/355173977.db2.gz VNMNYKMMHROHEB-RWSFTLGLSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)OCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000346968415 355173978 /nfs/dbraw/zinc/17/39/78/355173978.db2.gz VNMNYKMMHROHEB-RWSFTLGLSA-N 1 2 233.377 1.253 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@@H+]1CCO[C@H](C)C1 ZINC000412994311 191332428 /nfs/dbraw/zinc/33/24/28/191332428.db2.gz ARGUPDLLBZYMAR-MWLCHTKSSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@H+]1CCO[C@H](C)C1 ZINC000412994311 191332431 /nfs/dbraw/zinc/33/24/31/191332431.db2.gz ARGUPDLLBZYMAR-MWLCHTKSSA-N 1 2 231.361 1.418 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000335258750 355198092 /nfs/dbraw/zinc/19/80/92/355198092.db2.gz BUWCSUKDNQOOHO-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000335258750 355198094 /nfs/dbraw/zinc/19/80/94/355198094.db2.gz BUWCSUKDNQOOHO-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO CC(C)c1nccnc1NCc1[nH+]ccn1C ZINC000413115812 191357307 /nfs/dbraw/zinc/35/73/07/191357307.db2.gz GLYODEPERWIERJ-UHFFFAOYSA-N 1 2 231.303 1.368 20 0 BDADLO C[C@H](CCO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413171394 191361486 /nfs/dbraw/zinc/36/14/86/191361486.db2.gz OPDIOALQZTVKDB-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@H](CCO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413171394 191361490 /nfs/dbraw/zinc/36/14/90/191361490.db2.gz OPDIOALQZTVKDB-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO OCCCSCc1c[nH+]c2ccccn12 ZINC000413011099 191340054 /nfs/dbraw/zinc/34/00/54/191340054.db2.gz ANRRIDPSZRWJNY-UHFFFAOYSA-N 1 2 222.313 1.950 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347628411 355240330 /nfs/dbraw/zinc/24/03/30/355240330.db2.gz MMUOHJUXOSCTQU-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347628411 355240332 /nfs/dbraw/zinc/24/03/32/355240332.db2.gz MMUOHJUXOSCTQU-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347627688 355240470 /nfs/dbraw/zinc/24/04/70/355240470.db2.gz WBKDNMDKPXDQST-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347627688 355240473 /nfs/dbraw/zinc/24/04/73/355240473.db2.gz WBKDNMDKPXDQST-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CO[C@H](C)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413108168 191353923 /nfs/dbraw/zinc/35/39/23/191353923.db2.gz DJFDJOLDBSTQAZ-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO CO[C@H](C)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413108168 191353926 /nfs/dbraw/zinc/35/39/26/191353926.db2.gz DJFDJOLDBSTQAZ-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347672617 355260730 /nfs/dbraw/zinc/26/07/30/355260730.db2.gz CVKDCORBUZBLHZ-SECBINFHSA-N 1 2 245.273 1.483 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347672617 355260733 /nfs/dbraw/zinc/26/07/33/355260733.db2.gz CVKDCORBUZBLHZ-SECBINFHSA-N 1 2 245.273 1.483 20 0 BDADLO C[C@@H]1C[C@H](O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000413591504 191398325 /nfs/dbraw/zinc/39/83/25/191398325.db2.gz VHOPGTMLYBUFQY-KOLCDFICSA-N 1 2 233.315 1.561 20 0 BDADLO Cc1cc(N2CCCc3c(cnn3C)C2)nc[nH+]1 ZINC000413479135 191386314 /nfs/dbraw/zinc/38/63/14/191386314.db2.gz PVKRZDWERABZTQ-UHFFFAOYSA-N 1 2 243.314 1.471 20 0 BDADLO CCn1ccc(CNc2cc[nH+]c(C(C)C)n2)n1 ZINC000413487444 191388190 /nfs/dbraw/zinc/38/81/90/191388190.db2.gz CCVYEWVOFLTDTO-UHFFFAOYSA-N 1 2 245.330 1.850 20 0 BDADLO COCC[C@@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000413493131 191388689 /nfs/dbraw/zinc/38/86/89/191388689.db2.gz NPAAKLPSRIXCLG-SNVBAGLBSA-N 1 2 235.331 1.860 20 0 BDADLO CCn1ccc(CNc2cccc[nH+]2)n1 ZINC000413491884 191388901 /nfs/dbraw/zinc/38/89/01/191388901.db2.gz KPHNMBMUXUTBHI-UHFFFAOYSA-N 1 2 202.261 1.910 20 0 BDADLO CC[C@H](O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413197004 191361917 /nfs/dbraw/zinc/36/19/17/191361917.db2.gz KKXGZNFKQQOKEV-JTQLQIEISA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@H](O)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413197004 191361919 /nfs/dbraw/zinc/36/19/19/191361919.db2.gz KKXGZNFKQQOKEV-JTQLQIEISA-N 1 2 236.319 1.624 20 0 BDADLO CSCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413185053 191362313 /nfs/dbraw/zinc/36/23/13/191362313.db2.gz LNQBKAWCKWUZON-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CSCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413185053 191362315 /nfs/dbraw/zinc/36/23/15/191362315.db2.gz LNQBKAWCKWUZON-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CCOC[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413247194 191365686 /nfs/dbraw/zinc/36/56/86/191365686.db2.gz HVRUVBFBOBKARG-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO CCOC[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413247194 191365688 /nfs/dbraw/zinc/36/56/88/191365688.db2.gz HVRUVBFBOBKARG-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO OCCC1(CNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413254584 191367216 /nfs/dbraw/zinc/36/72/16/191367216.db2.gz YUJLESIFAVCPKH-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO OCCC1(CNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413254584 191367219 /nfs/dbraw/zinc/36/72/19/191367219.db2.gz YUJLESIFAVCPKH-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO C[C@@H](O)CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413271957 191368075 /nfs/dbraw/zinc/36/80/75/191368075.db2.gz UDGNLWJZNJKFPE-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO C[C@@H](O)CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413271957 191368078 /nfs/dbraw/zinc/36/80/78/191368078.db2.gz UDGNLWJZNJKFPE-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO OC[C@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000413317900 191372474 /nfs/dbraw/zinc/37/24/74/191372474.db2.gz ZQBTXTQKAZRQDY-JTQLQIEISA-N 1 2 248.330 1.481 20 0 BDADLO OC[C@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000413317900 191372477 /nfs/dbraw/zinc/37/24/77/191372477.db2.gz ZQBTXTQKAZRQDY-JTQLQIEISA-N 1 2 248.330 1.481 20 0 BDADLO CCC1CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000413356053 191373932 /nfs/dbraw/zinc/37/39/32/191373932.db2.gz BKNJVKPEJVCPPJ-UHFFFAOYSA-N 1 2 217.276 1.210 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000413386261 191377669 /nfs/dbraw/zinc/37/76/69/191377669.db2.gz JYXQFUHLKGIQPL-KNVOCYPGSA-N 1 2 242.710 1.692 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000413386261 191377671 /nfs/dbraw/zinc/37/76/71/191377671.db2.gz JYXQFUHLKGIQPL-KNVOCYPGSA-N 1 2 242.710 1.692 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3occc3c2)C1 ZINC000639253714 355292001 /nfs/dbraw/zinc/29/20/01/355292001.db2.gz OQJYIXIUGFFPKF-UHFFFAOYSA-N 1 2 217.268 1.999 20 0 BDADLO CC1(O)C[NH+](Cc2cc3cccnc3o2)C1 ZINC000639253701 355292192 /nfs/dbraw/zinc/29/21/92/355292192.db2.gz OGJBOJFEQRCWEB-UHFFFAOYSA-N 1 2 218.256 1.394 20 0 BDADLO Cc1ncc([C@H](C)[NH+]2CC(C)(O)C2)c(C)n1 ZINC000639253885 355292634 /nfs/dbraw/zinc/29/26/34/355292634.db2.gz STYDKSBPAGNTFW-VIFPVBQESA-N 1 2 221.304 1.221 20 0 BDADLO COc1cccc(C)c1C[NH+]1CC(C)(O)C1 ZINC000639253829 355292841 /nfs/dbraw/zinc/29/28/41/355292841.db2.gz RVPGPDUHLNYJPI-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO COc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)s1 ZINC000639259385 355309270 /nfs/dbraw/zinc/30/92/70/355309270.db2.gz XVMLCQWSELDJKQ-YUMQZZPRSA-N 1 2 242.369 1.841 20 0 BDADLO COc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CS3)s1 ZINC000639259385 355309273 /nfs/dbraw/zinc/30/92/73/355309273.db2.gz XVMLCQWSELDJKQ-YUMQZZPRSA-N 1 2 242.369 1.841 20 0 BDADLO FC(F)OC1C[NH+](CCC[C@H]2CCO2)C1 ZINC000639262935 355317557 /nfs/dbraw/zinc/31/75/57/355317557.db2.gz CYGYGHCXHUBWQR-QMMMGPOBSA-N 1 2 221.247 1.479 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000414181271 191453757 /nfs/dbraw/zinc/45/37/57/191453757.db2.gz KWDRTAHWFAZRQX-POZPLHJXSA-N 1 2 242.344 1.516 20 0 BDADLO C[C@@H]1[C@H](CO)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000413600389 191399507 /nfs/dbraw/zinc/39/95/07/191399507.db2.gz YQOIRYNCWUCLGB-PWSUYJOCSA-N 1 2 247.342 1.951 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457872205 355279400 /nfs/dbraw/zinc/27/94/00/355279400.db2.gz NSJMRDAYKRWBAR-SMDDNHRTSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1ncnc1C[NH+]1CC(C2CCCCC2)C1 ZINC000639250603 355280156 /nfs/dbraw/zinc/28/01/56/355280156.db2.gz UWVNDUAQEIAANZ-UHFFFAOYSA-N 1 2 234.347 1.827 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCOCC3)no1 ZINC000639252412 355286273 /nfs/dbraw/zinc/28/62/73/355286273.db2.gz GZNYAUAQSHMYID-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO Oc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000623234808 355365289 /nfs/dbraw/zinc/36/52/89/355365289.db2.gz XXRXBFQJVYGMHB-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1cccc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000623234808 355365290 /nfs/dbraw/zinc/36/52/90/355365290.db2.gz XXRXBFQJVYGMHB-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)no1 ZINC000639280847 355375363 /nfs/dbraw/zinc/37/53/63/355375363.db2.gz GOPQCCQITHNWEN-JTQLQIEISA-N 1 2 245.286 1.151 20 0 BDADLO c1cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)no1 ZINC000639280847 355375368 /nfs/dbraw/zinc/37/53/68/355375368.db2.gz GOPQCCQITHNWEN-JTQLQIEISA-N 1 2 245.286 1.151 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CC2(C)C)n1C ZINC000335775835 355400257 /nfs/dbraw/zinc/40/02/57/355400257.db2.gz NFBKJEZTWWYAQW-SECBINFHSA-N 1 2 208.309 1.354 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CC2(C)C)n1C ZINC000335775835 355400259 /nfs/dbraw/zinc/40/02/59/355400259.db2.gz NFBKJEZTWWYAQW-SECBINFHSA-N 1 2 208.309 1.354 20 0 BDADLO C[N@H+](Cc1ccncc1Cl)[C@H]1CCOC1 ZINC000335779534 355406958 /nfs/dbraw/zinc/40/69/58/355406958.db2.gz LLWYAKBIIWZQSB-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1ccncc1Cl)[C@H]1CCOC1 ZINC000335779534 355406961 /nfs/dbraw/zinc/40/69/61/355406961.db2.gz LLWYAKBIIWZQSB-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO Cc1c[nH+]c(C)c(NCc2ncnn2C)c1 ZINC000639291274 355466339 /nfs/dbraw/zinc/46/63/39/355466339.db2.gz MMYRABVXUUDULO-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC(C)(CF)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000335835325 355562186 /nfs/dbraw/zinc/56/21/86/355562186.db2.gz YEPQXQBFNQTRRM-UHFFFAOYSA-N 1 2 235.262 1.812 20 0 BDADLO C[NH2+]Cc1noc(CCO[C@@H](C)CC(C)C)n1 ZINC000349881017 355517258 /nfs/dbraw/zinc/51/72/58/355517258.db2.gz LDYWKECVBJUBJF-JTQLQIEISA-N 1 2 241.335 1.783 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000350125746 355608888 /nfs/dbraw/zinc/60/88/88/355608888.db2.gz SNPGOWONPCRTFA-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000350125746 355608889 /nfs/dbraw/zinc/60/88/89/355608889.db2.gz SNPGOWONPCRTFA-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1occc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000335839928 355570586 /nfs/dbraw/zinc/57/05/86/355570586.db2.gz IOPDCPLONPKVJL-UHFFFAOYSA-N 1 2 222.288 1.410 20 0 BDADLO CCc1ccccc1C[N@@H+]1CCNC(=O)C1 ZINC000335873958 355641894 /nfs/dbraw/zinc/64/18/94/355641894.db2.gz NHWKYIODNQYSJJ-UHFFFAOYSA-N 1 2 218.300 1.181 20 0 BDADLO CCc1ccccc1C[N@H+]1CCNC(=O)C1 ZINC000335873958 355641897 /nfs/dbraw/zinc/64/18/97/355641897.db2.gz NHWKYIODNQYSJJ-UHFFFAOYSA-N 1 2 218.300 1.181 20 0 BDADLO CC[C@@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335878343 355649641 /nfs/dbraw/zinc/64/96/41/355649641.db2.gz KCPHOIKXZQZMBT-CYBMUJFWSA-N 1 2 231.299 1.914 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCCNC(=O)C2)c1 ZINC000639310063 355666334 /nfs/dbraw/zinc/66/63/34/355666334.db2.gz BKVVSDVUEQHWSZ-NSHDSACASA-N 1 2 249.314 1.309 20 0 BDADLO Cc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)on1 ZINC000335861324 355623901 /nfs/dbraw/zinc/62/39/01/355623901.db2.gz GHZSNHYHKTUWFX-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)on1 ZINC000335861324 355623905 /nfs/dbraw/zinc/62/39/05/355623905.db2.gz GHZSNHYHKTUWFX-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000335867585 355632846 /nfs/dbraw/zinc/63/28/46/355632846.db2.gz BILQSQLIIJTALB-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000335867585 355632848 /nfs/dbraw/zinc/63/28/48/355632848.db2.gz BILQSQLIIJTALB-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO Cc1nocc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000350314341 355669882 /nfs/dbraw/zinc/66/98/82/355669882.db2.gz LLEOOLJQTNIDAZ-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO Cc1nocc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000350314341 355669885 /nfs/dbraw/zinc/66/98/85/355669885.db2.gz LLEOOLJQTNIDAZ-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@H]1CCSC1)C2 ZINC000639321761 355723170 /nfs/dbraw/zinc/72/31/70/355723170.db2.gz ZCTOXAWAYDQHQQ-SECBINFHSA-N 1 2 223.345 1.489 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@H]1CCSC1)C2 ZINC000639321761 355723172 /nfs/dbraw/zinc/72/31/72/355723172.db2.gz ZCTOXAWAYDQHQQ-SECBINFHSA-N 1 2 223.345 1.489 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320963 355722301 /nfs/dbraw/zinc/72/23/01/355722301.db2.gz QLSUTLMUJWKULW-ZWNOBZJWSA-N 1 2 237.347 1.797 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320963 355722305 /nfs/dbraw/zinc/72/23/05/355722305.db2.gz QLSUTLMUJWKULW-ZWNOBZJWSA-N 1 2 237.347 1.797 20 0 BDADLO CCn1cncc1C[NH2+]Cc1cc(OC)no1 ZINC000639323310 355716573 /nfs/dbraw/zinc/71/65/73/355716573.db2.gz BRSSFBYZBHDGCE-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO COc1cc(C[NH2+]Cc2ccc(CO)o2)on1 ZINC000639323410 355716821 /nfs/dbraw/zinc/71/68/21/355716821.db2.gz CCJSSXGRYMXBLQ-UHFFFAOYSA-N 1 2 238.243 1.058 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)C[C@@H]2C)[nH+]1 ZINC000350703841 355744659 /nfs/dbraw/zinc/74/46/59/355744659.db2.gz VUXZLHZWYBNWHT-CBAPKCEASA-N 1 2 232.287 1.226 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3nccnc3C2)sn1 ZINC000639329387 355745213 /nfs/dbraw/zinc/74/52/13/355745213.db2.gz DKUVQWNCQKMJKC-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1cc(C[N@H+]2CCc3nccnc3C2)sn1 ZINC000639329387 355745216 /nfs/dbraw/zinc/74/52/16/355745216.db2.gz DKUVQWNCQKMJKC-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1noc(C)n1)OC ZINC000639332041 355758431 /nfs/dbraw/zinc/75/84/31/355758431.db2.gz FIOSYLQASDZAPA-KOLCDFICSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1noc(C)n1)OC ZINC000639332041 355758432 /nfs/dbraw/zinc/75/84/32/355758432.db2.gz FIOSYLQASDZAPA-KOLCDFICSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1noc(C)n1)OC ZINC000639332040 355758494 /nfs/dbraw/zinc/75/84/94/355758494.db2.gz FIOSYLQASDZAPA-GXSJLCMTSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1noc(C)n1)OC ZINC000639332040 355758497 /nfs/dbraw/zinc/75/84/97/355758497.db2.gz FIOSYLQASDZAPA-GXSJLCMTSA-N 1 2 241.335 1.871 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCSC1 ZINC000336013578 134052401 /nfs/dbraw/zinc/05/24/01/134052401.db2.gz QMKVZQAGZFIAOJ-VIFPVBQESA-N 1 2 239.344 1.180 20 0 BDADLO Nc1cc(CN2CCC[C@H]2c2ncon2)cc[nH+]1 ZINC000377099556 181209213 /nfs/dbraw/zinc/20/92/13/181209213.db2.gz XGHIQLNMAGJWCN-JTQLQIEISA-N 1 2 245.286 1.214 20 0 BDADLO Nc1cc(CN2CCC[C@@H]2c2ncon2)cc[nH+]1 ZINC000377099559 181209353 /nfs/dbraw/zinc/20/93/53/181209353.db2.gz XGHIQLNMAGJWCN-SNVBAGLBSA-N 1 2 245.286 1.214 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(=O)c2sccc2[nH]1 ZINC000350601574 355733039 /nfs/dbraw/zinc/73/30/39/355733039.db2.gz UUYYITOOFSZDPC-UHFFFAOYSA-N 1 2 246.295 1.721 20 0 BDADLO O=C([C@H]1C[C@@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000336022549 134055934 /nfs/dbraw/zinc/05/59/34/134055934.db2.gz IGCGIGADBWIRKP-NEPJUHHUSA-N 1 2 231.299 1.271 20 0 BDADLO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000639342525 355784490 /nfs/dbraw/zinc/78/44/90/355784490.db2.gz WYARPSLOPDADBK-GWCFXTLKSA-N 1 2 246.314 1.671 20 0 BDADLO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000639342525 355784495 /nfs/dbraw/zinc/78/44/95/355784495.db2.gz WYARPSLOPDADBK-GWCFXTLKSA-N 1 2 246.314 1.671 20 0 BDADLO CCn1ncnc1C[NH2+]CC(C)(C)F ZINC000639357952 355812258 /nfs/dbraw/zinc/81/22/58/355812258.db2.gz CQKMUCIKRSUUAB-UHFFFAOYSA-N 1 2 200.261 1.136 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCCCC1 ZINC000336032574 134058808 /nfs/dbraw/zinc/05/88/08/134058808.db2.gz SUVAXJUWFWTJQR-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCCCCC1 ZINC000336032574 134058809 /nfs/dbraw/zinc/05/88/09/134058809.db2.gz SUVAXJUWFWTJQR-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO O=C(Nc1ccccc1F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336033287 134059077 /nfs/dbraw/zinc/05/90/77/134059077.db2.gz CMYUZBJFHAISLO-SECBINFHSA-N 1 2 244.216 1.761 20 0 BDADLO CC1([NH2+]Cc2ccn(-c3ccccc3)n2)COC1 ZINC000639380238 355916351 /nfs/dbraw/zinc/91/63/51/355916351.db2.gz CLOXUCGKUGDMQS-UHFFFAOYSA-N 1 2 243.310 1.751 20 0 BDADLO CC1([NH2+]Cc2nc3c(s2)CCC3)COC1 ZINC000639380652 355919069 /nfs/dbraw/zinc/91/90/69/355919069.db2.gz HYILUUGCYNIYJT-UHFFFAOYSA-N 1 2 224.329 1.510 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C(F)(F)F)O1 ZINC000608759419 355976024 /nfs/dbraw/zinc/97/60/24/355976024.db2.gz WOYXERKARZWZCZ-SFYZADRCSA-N 1 2 249.236 1.561 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147127 355954047 /nfs/dbraw/zinc/95/40/47/355954047.db2.gz QQMPVWSHQOFKGB-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147127 355954048 /nfs/dbraw/zinc/95/40/48/355954048.db2.gz QQMPVWSHQOFKGB-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO COCCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608747374 355969946 /nfs/dbraw/zinc/96/99/46/355969946.db2.gz AVUADAHSOMHWET-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608747374 355969948 /nfs/dbraw/zinc/96/99/48/355969948.db2.gz AVUADAHSOMHWET-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748397 355971628 /nfs/dbraw/zinc/97/16/28/355971628.db2.gz FMQKBLOSYNLAFQ-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748397 355971631 /nfs/dbraw/zinc/97/16/31/355971631.db2.gz FMQKBLOSYNLAFQ-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608748635 355972472 /nfs/dbraw/zinc/97/24/72/355972472.db2.gz FVOOJKRVNAULNG-XHNCKOQMSA-N 1 2 241.253 1.673 20 0 BDADLO COC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608748635 355972474 /nfs/dbraw/zinc/97/24/74/355972474.db2.gz FVOOJKRVNAULNG-XHNCKOQMSA-N 1 2 241.253 1.673 20 0 BDADLO CCc1cc(NCCC[C@H](C)O)nc[nH+]1 ZINC000227997164 491086481 /nfs/dbraw/zinc/08/64/81/491086481.db2.gz BSEBHVMNRPTPHR-VIFPVBQESA-N 1 2 209.293 1.612 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000351565319 356019025 /nfs/dbraw/zinc/01/90/25/356019025.db2.gz WALMVFCUEYDCKC-OTDNITJGSA-N 1 2 233.315 1.515 20 0 BDADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cs1 ZINC000623258291 356068616 /nfs/dbraw/zinc/06/86/16/356068616.db2.gz NVGZNUMOGILOAC-JTQLQIEISA-N 1 2 247.323 1.608 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)cn1 ZINC000351734525 356074907 /nfs/dbraw/zinc/07/49/07/356074907.db2.gz JNRLEQSTXUCXTI-SNVBAGLBSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@H](C)c2cnn(C)c2)cn1 ZINC000351734525 356074910 /nfs/dbraw/zinc/07/49/10/356074910.db2.gz JNRLEQSTXUCXTI-SNVBAGLBSA-N 1 2 245.330 1.712 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351787021 356086014 /nfs/dbraw/zinc/08/60/14/356086014.db2.gz YMQJNLWRHGERTQ-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351787021 356086018 /nfs/dbraw/zinc/08/60/18/356086018.db2.gz YMQJNLWRHGERTQ-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCOC(=O)C[N@H+](CC[C@@H](C)F)C1CC1 ZINC000352118384 134074480 /nfs/dbraw/zinc/07/44/80/134074480.db2.gz RFGFNWRQCBZNHF-SECBINFHSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)C[N@@H+](CC[C@@H](C)F)C1CC1 ZINC000352118384 134074481 /nfs/dbraw/zinc/07/44/81/134074481.db2.gz RFGFNWRQCBZNHF-SECBINFHSA-N 1 2 217.284 1.762 20 0 BDADLO CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCCC1 ZINC000623261476 356152587 /nfs/dbraw/zinc/15/25/87/356152587.db2.gz TXXRIMLWKCFQGF-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000335916936 356160173 /nfs/dbraw/zinc/16/01/73/356160173.db2.gz CGYUZHZDIWEQHS-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO Cc1nc(C)c(C(=O)N2CCn3cc[nH+]c3C2)o1 ZINC000329900362 356141355 /nfs/dbraw/zinc/14/13/55/356141355.db2.gz NSJGJFHZOBZIGD-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261244 356143878 /nfs/dbraw/zinc/14/38/78/356143878.db2.gz HVNIVQDSHLGGEO-USWWRNFRSA-N 1 2 233.315 1.216 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=CCCCC1 ZINC000623261141 356148343 /nfs/dbraw/zinc/14/83/43/356148343.db2.gz AFVZCIGVKKCRCP-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n[nH]1 ZINC000336088587 134077508 /nfs/dbraw/zinc/07/75/08/134077508.db2.gz ZTCUHKAERSTWMY-LLVKDONJSA-N 1 2 207.277 1.021 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)n[nH]1 ZINC000336088587 134077509 /nfs/dbraw/zinc/07/75/09/134077509.db2.gz ZTCUHKAERSTWMY-LLVKDONJSA-N 1 2 207.277 1.021 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC12CCCC2 ZINC000623264530 356236486 /nfs/dbraw/zinc/23/64/86/356236486.db2.gz NLUPMUNLOMYSBP-PWSUYJOCSA-N 1 2 245.326 1.504 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639445448 356225779 /nfs/dbraw/zinc/22/57/79/356225779.db2.gz SNSCFAXOIWEUOQ-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639445448 356225782 /nfs/dbraw/zinc/22/57/82/356225782.db2.gz SNSCFAXOIWEUOQ-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264958 356231130 /nfs/dbraw/zinc/23/11/30/356231130.db2.gz XUQDHAKUNPHJCP-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)oc1C ZINC000623263148 356198214 /nfs/dbraw/zinc/19/82/14/356198214.db2.gz DJVJSCHGFVSNOQ-JTQLQIEISA-N 1 2 245.282 1.448 20 0 BDADLO CCC(CC)[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263862 356205039 /nfs/dbraw/zinc/20/50/39/356205039.db2.gz ZRHFCMOWVHFTLV-CMPLNLGQSA-N 1 2 249.358 1.996 20 0 BDADLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263865 356205091 /nfs/dbraw/zinc/20/50/91/356205091.db2.gz ZRHFCMOWVHFTLV-ZYHUDNBSSA-N 1 2 249.358 1.996 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@@H+]1CCCOCC1 ZINC000639465039 356251191 /nfs/dbraw/zinc/25/11/91/356251191.db2.gz ASPMQWXBSZAUOG-UHFFFAOYSA-N 1 2 237.303 1.559 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@H+]1CCCOCC1 ZINC000639465039 356251196 /nfs/dbraw/zinc/25/11/96/356251196.db2.gz ASPMQWXBSZAUOG-UHFFFAOYSA-N 1 2 237.303 1.559 20 0 BDADLO COC(=O)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC000384090598 356271954 /nfs/dbraw/zinc/27/19/54/356271954.db2.gz YVVMNGGVADZYHG-UHFFFAOYSA-N 1 2 238.287 1.368 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H]2C2CC2)cc[nH+]1 ZINC000336109443 134085854 /nfs/dbraw/zinc/08/58/54/134085854.db2.gz BOMLKNOVWOETLK-GFCCVEGCSA-N 1 2 231.299 1.828 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@H]1CCN(C2CCC2)C1=O ZINC000639460409 356248285 /nfs/dbraw/zinc/24/82/85/356248285.db2.gz VBWQXRCLPAAQRU-ZDUSSCGKSA-N 1 2 248.326 1.865 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@H]1CCN(C2CCC2)C1=O ZINC000639460409 356248286 /nfs/dbraw/zinc/24/82/86/356248286.db2.gz VBWQXRCLPAAQRU-ZDUSSCGKSA-N 1 2 248.326 1.865 20 0 BDADLO C[N@H+](Cc1nc(CC2CC2)no1)[C@H]1CCOC1 ZINC000639483234 356297570 /nfs/dbraw/zinc/29/75/70/356297570.db2.gz QKWIQUNDIXQGHC-JTQLQIEISA-N 1 2 237.303 1.243 20 0 BDADLO C[N@@H+](Cc1nc(CC2CC2)no1)[C@H]1CCOC1 ZINC000639483234 356297573 /nfs/dbraw/zinc/29/75/73/356297573.db2.gz QKWIQUNDIXQGHC-JTQLQIEISA-N 1 2 237.303 1.243 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265820 356299104 /nfs/dbraw/zinc/29/91/04/356299104.db2.gz LLVCPYOTJWTTSS-UWVGGRQHSA-N 1 2 221.304 1.216 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623266293 356304628 /nfs/dbraw/zinc/30/46/28/356304628.db2.gz XJGWKHHSGVFPIX-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000623266312 356304717 /nfs/dbraw/zinc/30/47/17/356304717.db2.gz YAIWJUDWYQVXJZ-NXEZZACHSA-N 1 2 245.282 1.321 20 0 BDADLO C[N@H+](Cc1nccs1)Cc1cc[nH]c(=O)c1 ZINC000639506597 356334324 /nfs/dbraw/zinc/33/43/24/356334324.db2.gz HSAQMNMIEHNWBI-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1nccs1)Cc1cc[nH]c(=O)c1 ZINC000639506597 356334326 /nfs/dbraw/zinc/33/43/26/356334326.db2.gz HSAQMNMIEHNWBI-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CCCCCC1 ZINC000623267977 356335004 /nfs/dbraw/zinc/33/50/04/356335004.db2.gz CKVPQXDYWXVGLU-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(NC(N)=O)CC1 ZINC000639512564 356349426 /nfs/dbraw/zinc/34/94/26/356349426.db2.gz BSHOUBKOJUDODE-UHFFFAOYSA-N 1 2 235.278 1.164 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccnc1 ZINC000336130637 134094081 /nfs/dbraw/zinc/09/40/81/134094081.db2.gz PHCVJJIUBIRLFA-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccnc1 ZINC000336130637 134094082 /nfs/dbraw/zinc/09/40/82/134094082.db2.gz PHCVJJIUBIRLFA-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@H]1CCc2ncnn21 ZINC000639519400 356363503 /nfs/dbraw/zinc/36/35/03/356363503.db2.gz HVCWHZIIGKBUQM-SECBINFHSA-N 1 2 244.289 1.741 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CCc2ncnn21 ZINC000639519400 356363509 /nfs/dbraw/zinc/36/35/09/356363509.db2.gz HVCWHZIIGKBUQM-SECBINFHSA-N 1 2 244.289 1.741 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CCc2ncnn21 ZINC000639519402 356364696 /nfs/dbraw/zinc/36/46/96/356364696.db2.gz HVCWHZIIGKBUQM-VIFPVBQESA-N 1 2 244.289 1.741 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CCc2ncnn21 ZINC000639519402 356364702 /nfs/dbraw/zinc/36/47/02/356364702.db2.gz HVCWHZIIGKBUQM-VIFPVBQESA-N 1 2 244.289 1.741 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000639539519 356392281 /nfs/dbraw/zinc/39/22/81/356392281.db2.gz LPNRGSLQBAWDJZ-UHFFFAOYSA-N 1 2 237.328 1.725 20 0 BDADLO CC(=O)C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000639539519 356392286 /nfs/dbraw/zinc/39/22/86/356392286.db2.gz LPNRGSLQBAWDJZ-UHFFFAOYSA-N 1 2 237.328 1.725 20 0 BDADLO CCc1nc(C[N@@H+]2CCSCC[C@H]2C)no1 ZINC000336583788 356394388 /nfs/dbraw/zinc/39/43/88/356394388.db2.gz BJOMLOITEPYAGP-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nc(C[N@H+]2CCSCC[C@H]2C)no1 ZINC000336583788 356394392 /nfs/dbraw/zinc/39/43/92/356394392.db2.gz BJOMLOITEPYAGP-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000639541999 356395713 /nfs/dbraw/zinc/39/57/13/356395713.db2.gz SJJPFTHUIUHJKI-NSHDSACASA-N 1 2 248.330 1.381 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000639541999 356395717 /nfs/dbraw/zinc/39/57/17/356395717.db2.gz SJJPFTHUIUHJKI-NSHDSACASA-N 1 2 248.330 1.381 20 0 BDADLO CCN1CC[N@H+](Cc2ccsc2C)CC1=O ZINC000336594683 356396366 /nfs/dbraw/zinc/39/63/66/356396366.db2.gz XZFDRASRJPNVIY-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CCN1CC[N@@H+](Cc2ccsc2C)CC1=O ZINC000336594683 356396368 /nfs/dbraw/zinc/39/63/68/356396368.db2.gz XZFDRASRJPNVIY-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CCC(F)(F)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000639546979 356410949 /nfs/dbraw/zinc/41/09/49/356410949.db2.gz OAMOGFLTNZRRGK-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639547815 356411628 /nfs/dbraw/zinc/41/16/28/356411628.db2.gz COSREYRGJWINJH-LLVKDONJSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639547815 356411630 /nfs/dbraw/zinc/41/16/30/356411630.db2.gz COSREYRGJWINJH-LLVKDONJSA-N 1 2 237.347 1.667 20 0 BDADLO CC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000639550081 356420612 /nfs/dbraw/zinc/42/06/12/356420612.db2.gz XDNFVBHKJPSQRG-UHFFFAOYSA-N 1 2 204.273 1.635 20 0 BDADLO CC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000639550081 356420616 /nfs/dbraw/zinc/42/06/16/356420616.db2.gz XDNFVBHKJPSQRG-UHFFFAOYSA-N 1 2 204.273 1.635 20 0 BDADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C)o1 ZINC000623278986 356427167 /nfs/dbraw/zinc/42/71/67/356427167.db2.gz JJNSIZLCHJYNPK-JTQLQIEISA-N 1 2 245.282 1.448 20 0 BDADLO O=C(Nc1cccnc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639545936 356406145 /nfs/dbraw/zinc/40/61/45/356406145.db2.gz GASFEQPNFMKRMJ-JTQLQIEISA-N 1 2 243.270 1.025 20 0 BDADLO CC[C@@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000420630242 192251373 /nfs/dbraw/zinc/25/13/73/192251373.db2.gz SOPQRFFZTZAVOR-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000420630242 192251376 /nfs/dbraw/zinc/25/13/76/192251376.db2.gz SOPQRFFZTZAVOR-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO Cc1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000623282023 356464535 /nfs/dbraw/zinc/46/45/35/356464535.db2.gz KOEQZAAAEOHRHZ-LBPRGKRZSA-N 1 2 241.294 1.546 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000639551045 356434142 /nfs/dbraw/zinc/43/41/42/356434142.db2.gz GGEIXYNXUPDHKR-WCBMZHEXSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639551045 356434148 /nfs/dbraw/zinc/43/41/48/356434148.db2.gz GGEIXYNXUPDHKR-WCBMZHEXSA-N 1 2 237.303 1.292 20 0 BDADLO Cc1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000623282022 356464903 /nfs/dbraw/zinc/46/49/03/356464903.db2.gz KOEQZAAAEOHRHZ-GFCCVEGCSA-N 1 2 241.294 1.546 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000420632613 192253102 /nfs/dbraw/zinc/25/31/02/192253102.db2.gz RSEQLLOWVWPLHJ-ZANVPECISA-N 1 2 249.358 1.857 20 0 BDADLO CON1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000420640368 192254208 /nfs/dbraw/zinc/25/42/08/192254208.db2.gz MLUOBAMVADOKCE-UHFFFAOYSA-N 1 2 248.330 1.214 20 0 BDADLO FC1=CCC[NH+](CCc2cnccn2)C1 ZINC000639559608 356469114 /nfs/dbraw/zinc/46/91/14/356469114.db2.gz XWQZTBYYHDEEHF-UHFFFAOYSA-N 1 2 207.252 1.578 20 0 BDADLO CCc1nc(N2CC[C@@]23CCOC3)cc(C)[nH+]1 ZINC000420649147 192255252 /nfs/dbraw/zinc/25/52/52/192255252.db2.gz ZWBWDWPHPORGKV-ZDUSSCGKSA-N 1 2 233.315 1.717 20 0 BDADLO Cc1cc(CNC(=O)N[C@H]2CCOC2)cc(C)[nH+]1 ZINC000420821353 192263603 /nfs/dbraw/zinc/26/36/03/192263603.db2.gz RBDMAVNBLLRUPK-LBPRGKRZSA-N 1 2 249.314 1.287 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ncn(C)n1 ZINC000639602372 356521376 /nfs/dbraw/zinc/52/13/76/356521376.db2.gz SVCFAMVXFBCJDB-VHSXEESVSA-N 1 2 238.335 1.281 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](CCC(F)(F)F)CC2 ZINC000623292488 356518178 /nfs/dbraw/zinc/51/81/78/356518178.db2.gz PRZCZLYTLLUSDW-UHFFFAOYSA-N 1 2 246.236 1.200 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](CCC(F)(F)F)CC2 ZINC000623292488 356518179 /nfs/dbraw/zinc/51/81/79/356518179.db2.gz PRZCZLYTLLUSDW-UHFFFAOYSA-N 1 2 246.236 1.200 20 0 BDADLO COc1ccc([C@H](C)C[N@@H+]2CCNC(=O)C2)cc1 ZINC000179561727 366271410 /nfs/dbraw/zinc/27/14/10/366271410.db2.gz YSOWPJPVBDCVIT-LLVKDONJSA-N 1 2 248.326 1.231 20 0 BDADLO COc1ccc([C@H](C)C[N@H+]2CCNC(=O)C2)cc1 ZINC000179561727 366271417 /nfs/dbraw/zinc/27/14/17/366271417.db2.gz YSOWPJPVBDCVIT-LLVKDONJSA-N 1 2 248.326 1.231 20 0 BDADLO CC(C)(O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000348185664 535312671 /nfs/dbraw/zinc/31/26/71/535312671.db2.gz BZXSGJVBVKBPKY-NSHDSACASA-N 1 2 246.314 1.255 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006948 192297831 /nfs/dbraw/zinc/29/78/31/192297831.db2.gz HGGWOFVAZRJQFW-SCZZXKLOSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006948 192297832 /nfs/dbraw/zinc/29/78/32/192297832.db2.gz HGGWOFVAZRJQFW-SCZZXKLOSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006951 192298694 /nfs/dbraw/zinc/29/86/94/192298694.db2.gz HGGWOFVAZRJQFW-WCBMZHEXSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006951 192298696 /nfs/dbraw/zinc/29/86/96/192298696.db2.gz HGGWOFVAZRJQFW-WCBMZHEXSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccsc1 ZINC000449784529 202035889 /nfs/dbraw/zinc/03/58/89/202035889.db2.gz BCIVGFUAYZLPNO-NSHDSACASA-N 1 2 240.372 1.247 20 0 BDADLO C[C@H]1CN(CCO)CC[N@H+]1Cc1ccsc1 ZINC000449784529 202035892 /nfs/dbraw/zinc/03/58/92/202035892.db2.gz BCIVGFUAYZLPNO-NSHDSACASA-N 1 2 240.372 1.247 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC12CC2 ZINC000623298403 356554756 /nfs/dbraw/zinc/55/47/56/356554756.db2.gz AJUKQQMKBVXDLV-KOLCDFICSA-N 1 2 231.299 1.114 20 0 BDADLO CC1(C)C[N@H+](Cc2cccc3nccn32)CCO1 ZINC000179762139 366301400 /nfs/dbraw/zinc/30/14/00/366301400.db2.gz VUPIXUVJAVWWQG-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccc3nccn32)CCO1 ZINC000179762139 366301405 /nfs/dbraw/zinc/30/14/05/366301405.db2.gz VUPIXUVJAVWWQG-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000179762139 366301408 /nfs/dbraw/zinc/30/14/08/366301408.db2.gz VUPIXUVJAVWWQG-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299852 356559500 /nfs/dbraw/zinc/55/95/00/356559500.db2.gz DNVFZFOBEIVZGI-LLVKDONJSA-N 1 2 235.331 1.894 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[C@@H]1C1CC1 ZINC000623300309 356561532 /nfs/dbraw/zinc/56/15/32/356561532.db2.gz OETAULZHZFFIFW-UHTWSYAYSA-N 1 2 245.326 1.360 20 0 BDADLO CC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000639650542 356561823 /nfs/dbraw/zinc/56/18/23/356561823.db2.gz ZEKWJRPLCLNWQE-UHFFFAOYSA-N 1 2 216.284 1.760 20 0 BDADLO CC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000639650542 356561827 /nfs/dbraw/zinc/56/18/27/356561827.db2.gz ZEKWJRPLCLNWQE-UHFFFAOYSA-N 1 2 216.284 1.760 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639658708 356567120 /nfs/dbraw/zinc/56/71/20/356567120.db2.gz CNKAVFJOYGXARM-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639658708 356567123 /nfs/dbraw/zinc/56/71/23/356567123.db2.gz CNKAVFJOYGXARM-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CC[N@@H+](Cc1nn(C)c(C)c1Cl)C[C@H](C)O ZINC000421356670 192321158 /nfs/dbraw/zinc/32/11/58/192321158.db2.gz LVVYMFNWYCOWEE-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO CC[N@H+](Cc1nn(C)c(C)c1Cl)C[C@H](C)O ZINC000421356670 192321159 /nfs/dbraw/zinc/32/11/59/192321159.db2.gz LVVYMFNWYCOWEE-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO CC[N@H+](CCCO)Cc1nn(C)c(C)c1Cl ZINC000421318071 192316415 /nfs/dbraw/zinc/31/64/15/192316415.db2.gz BRGZYFCVLJKQLY-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CC[N@@H+](CCCO)Cc1nn(C)c(C)c1Cl ZINC000421318071 192316417 /nfs/dbraw/zinc/31/64/17/192316417.db2.gz BRGZYFCVLJKQLY-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CCNC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000613565405 363495989 /nfs/dbraw/zinc/49/59/89/363495989.db2.gz OSLFYPAZLSPYJA-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO CCNC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000613565405 363495994 /nfs/dbraw/zinc/49/59/94/363495994.db2.gz OSLFYPAZLSPYJA-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000336219271 134138189 /nfs/dbraw/zinc/13/81/89/134138189.db2.gz ARRJKRFNLXJADJ-STQMWFEESA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cnccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000336219271 134138190 /nfs/dbraw/zinc/13/81/90/134138190.db2.gz ARRJKRFNLXJADJ-STQMWFEESA-N 1 2 236.290 1.974 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)n1 ZINC000639666794 356581465 /nfs/dbraw/zinc/58/14/65/356581465.db2.gz VTLRXHRYBDMAGK-NSHDSACASA-N 1 2 247.342 1.327 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c(C)n1 ZINC000639666794 356581466 /nfs/dbraw/zinc/58/14/66/356581466.db2.gz VTLRXHRYBDMAGK-NSHDSACASA-N 1 2 247.342 1.327 20 0 BDADLO C[C@@]12COC[C@H]1CN(c1cc(CO)cc[nH+]1)C2 ZINC000630093147 363521268 /nfs/dbraw/zinc/52/12/68/363521268.db2.gz MHYPUVKGHKFHOD-DGCLKSJQSA-N 1 2 234.299 1.047 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304340 356595518 /nfs/dbraw/zinc/59/55/18/356595518.db2.gz WHSDGKQSTMSMEF-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccn1 ZINC000639688824 356597443 /nfs/dbraw/zinc/59/74/43/356597443.db2.gz SLTCJAFOWFOFMM-IJLUTSLNSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccn1 ZINC000639688824 356597446 /nfs/dbraw/zinc/59/74/46/356597446.db2.gz SLTCJAFOWFOFMM-IJLUTSLNSA-N 1 2 247.342 1.521 20 0 BDADLO CC[C@@H](O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000450179864 202091041 /nfs/dbraw/zinc/09/10/41/202091041.db2.gz GFEGKCAMEJKGGX-LLVKDONJSA-N 1 2 247.298 1.112 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cnc(C2CC2)o1 ZINC000639719253 356617710 /nfs/dbraw/zinc/61/77/10/356617710.db2.gz ZCDUMKFBIOEPJZ-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO FC1(F)CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639720083 356618714 /nfs/dbraw/zinc/61/87/14/356618714.db2.gz UMZJUFJTLDNDRV-SECBINFHSA-N 1 2 242.273 1.497 20 0 BDADLO FC1(F)CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639720083 356618717 /nfs/dbraw/zinc/61/87/17/356618717.db2.gz UMZJUFJTLDNDRV-SECBINFHSA-N 1 2 242.273 1.497 20 0 BDADLO C[C@@H](CCO)[N@H+](C)CC(=O)c1ccccc1F ZINC000639723624 356619505 /nfs/dbraw/zinc/61/95/05/356619505.db2.gz OSFLXTFYDUYJGA-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)CC(=O)c1ccccc1F ZINC000639723624 356619507 /nfs/dbraw/zinc/61/95/07/356619507.db2.gz OSFLXTFYDUYJGA-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639723902 356620418 /nfs/dbraw/zinc/62/04/18/356620418.db2.gz YGKZNBVOYKIDSG-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639723902 356620423 /nfs/dbraw/zinc/62/04/23/356620423.db2.gz YGKZNBVOYKIDSG-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CC1(F)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000630094747 363539769 /nfs/dbraw/zinc/53/97/69/363539769.db2.gz KODIYIIQHLUAKS-UHFFFAOYSA-N 1 2 224.279 1.902 20 0 BDADLO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1csnn1 ZINC000450263627 202114715 /nfs/dbraw/zinc/11/47/15/202114715.db2.gz CTMRXLPPMFIJFV-SFYZADRCSA-N 1 2 243.332 1.340 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450263627 202114719 /nfs/dbraw/zinc/11/47/19/202114719.db2.gz CTMRXLPPMFIJFV-SFYZADRCSA-N 1 2 243.332 1.340 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C[C@@H]1CO ZINC000630095263 363547311 /nfs/dbraw/zinc/54/73/11/363547311.db2.gz XBJCTLQVEVYRNF-ZYHUDNBSSA-N 1 2 236.315 1.029 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@@]1(C)CO ZINC000630095248 363548099 /nfs/dbraw/zinc/54/80/99/363548099.db2.gz WTPGMLAZJREBMO-GWCFXTLKSA-N 1 2 236.315 1.029 20 0 BDADLO C[C@H](C[N@H+](C)Cc1ccoc1)S(C)(=O)=O ZINC000450282553 202118741 /nfs/dbraw/zinc/11/87/41/202118741.db2.gz GTEQNGKROHZSIF-SECBINFHSA-N 1 2 231.317 1.145 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1ccoc1)S(C)(=O)=O ZINC000450282553 202118743 /nfs/dbraw/zinc/11/87/43/202118743.db2.gz GTEQNGKROHZSIF-SECBINFHSA-N 1 2 231.317 1.145 20 0 BDADLO COCCC[N@H+](C)[C@@H](C)c1csnn1 ZINC000450285181 202119787 /nfs/dbraw/zinc/11/97/87/202119787.db2.gz DZLUEIPYADSDCG-QMMMGPOBSA-N 1 2 215.322 1.567 20 0 BDADLO COCCC[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450285181 202119790 /nfs/dbraw/zinc/11/97/90/202119790.db2.gz DZLUEIPYADSDCG-QMMMGPOBSA-N 1 2 215.322 1.567 20 0 BDADLO COCCN1CC[C@H]([NH2+][C@H](C)C(C)(F)F)C1 ZINC000389441009 356672389 /nfs/dbraw/zinc/67/23/89/356672389.db2.gz IBEFKRIDLDXASA-ZJUUUORDSA-N 1 2 236.306 1.340 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)COCC)C(=O)OCC ZINC000216604269 134154198 /nfs/dbraw/zinc/15/41/98/134154198.db2.gz ZDYZATNEGHHKCR-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO C[C@H](N=c1[nH]ncs1)C(C)(C)C[NH+](C)C ZINC000450349666 202137532 /nfs/dbraw/zinc/13/75/32/202137532.db2.gz PCSSHJGDAKWVKF-QMMMGPOBSA-N 1 2 228.365 1.348 20 0 BDADLO CN1CC[N@H+](Cc2ccncc2)CC1(C)C ZINC000578148224 366331103 /nfs/dbraw/zinc/33/11/03/366331103.db2.gz AETZFSUTSPPURO-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO CN1CC[N@@H+](Cc2ccncc2)CC1(C)C ZINC000578148224 366331112 /nfs/dbraw/zinc/33/11/12/366331112.db2.gz AETZFSUTSPPURO-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)C(C)(F)F)n(C)n1 ZINC000389474286 356682329 /nfs/dbraw/zinc/68/23/29/356682329.db2.gz WSJLFGCPOUCKKT-QMMMGPOBSA-N 1 2 217.263 1.862 20 0 BDADLO CCOCC[N@H+](CC)[C@H](C)c1csnn1 ZINC000450397843 202152824 /nfs/dbraw/zinc/15/28/24/202152824.db2.gz YRPYSFNSCPIJHW-SECBINFHSA-N 1 2 229.349 1.958 20 0 BDADLO CCOCC[N@@H+](CC)[C@H](C)c1csnn1 ZINC000450397843 202152827 /nfs/dbraw/zinc/15/28/27/202152827.db2.gz YRPYSFNSCPIJHW-SECBINFHSA-N 1 2 229.349 1.958 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000078778915 535342146 /nfs/dbraw/zinc/34/21/46/535342146.db2.gz DOEMVVHAKCGKKP-UHFFFAOYSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000078778915 535342151 /nfs/dbraw/zinc/34/21/51/535342151.db2.gz DOEMVVHAKCGKKP-UHFFFAOYSA-N 1 2 241.335 1.471 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1CCCC1 ZINC000542481783 325030281 /nfs/dbraw/zinc/03/02/81/325030281.db2.gz DVRLNFXEYCVAHD-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)nc1 ZINC000639777698 356723935 /nfs/dbraw/zinc/72/39/35/356723935.db2.gz NAHGRXPDBCGLLR-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)nc1 ZINC000639777698 356723937 /nfs/dbraw/zinc/72/39/37/356723937.db2.gz NAHGRXPDBCGLLR-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H]1c1cn[nH]c1)NCC1CC1 ZINC000639779260 356726013 /nfs/dbraw/zinc/72/60/13/356726013.db2.gz ZSHUALJCYQZSLS-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO O=C(C[N@H+]1CCC[C@H]1c1cn[nH]c1)NCC1CC1 ZINC000639779260 356726017 /nfs/dbraw/zinc/72/60/17/356726017.db2.gz ZSHUALJCYQZSLS-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO C[N@@H+]1CC[C@H]([NH2+]CCn2cc[nH+]c2)CC1(C)C ZINC000623338624 356734644 /nfs/dbraw/zinc/73/46/44/356734644.db2.gz IXVAFBBAHJXIFG-LBPRGKRZSA-N 1 2 236.363 1.346 20 0 BDADLO C[N@H+]1CC[C@H]([NH2+]CCn2cc[nH+]c2)CC1(C)C ZINC000623338624 356734649 /nfs/dbraw/zinc/73/46/49/356734649.db2.gz IXVAFBBAHJXIFG-LBPRGKRZSA-N 1 2 236.363 1.346 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818096 356797939 /nfs/dbraw/zinc/79/79/39/356797939.db2.gz ZUDQTZUJMISQQZ-SECBINFHSA-N 1 2 230.262 1.570 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818096 356797940 /nfs/dbraw/zinc/79/79/40/356797940.db2.gz ZUDQTZUJMISQQZ-SECBINFHSA-N 1 2 230.262 1.570 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000450474070 202178514 /nfs/dbraw/zinc/17/85/14/202178514.db2.gz OWMVLBVBGMPVOB-SECBINFHSA-N 1 2 241.360 1.882 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000450474070 202178517 /nfs/dbraw/zinc/17/85/17/202178517.db2.gz OWMVLBVBGMPVOB-SECBINFHSA-N 1 2 241.360 1.882 20 0 BDADLO CO[C@H]1C[N@@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000639834108 356821423 /nfs/dbraw/zinc/82/14/23/356821423.db2.gz NUCWBNVQUDFQIF-CMPLNLGQSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000639834108 356821425 /nfs/dbraw/zinc/82/14/25/356821425.db2.gz NUCWBNVQUDFQIF-CMPLNLGQSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+](CCOCCC(C)C)CCO1 ZINC000639833972 356821443 /nfs/dbraw/zinc/82/14/43/356821443.db2.gz SDKYGWWMXBDYIN-LBPRGKRZSA-N 1 2 231.336 1.354 20 0 BDADLO CO[C@@H]1C[N@@H+](CCOCCC(C)C)CCO1 ZINC000639833972 356821444 /nfs/dbraw/zinc/82/14/44/356821444.db2.gz SDKYGWWMXBDYIN-LBPRGKRZSA-N 1 2 231.336 1.354 20 0 BDADLO CO[C@@H]1C[N@H+](CCc2ccncc2C)CCO1 ZINC000639835224 356825625 /nfs/dbraw/zinc/82/56/25/356825625.db2.gz DUTZNMJSSPJWKM-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CO[C@@H]1C[N@@H+](CCc2ccncc2C)CCO1 ZINC000639835224 356825627 /nfs/dbraw/zinc/82/56/27/356825627.db2.gz DUTZNMJSSPJWKM-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639837233 356829698 /nfs/dbraw/zinc/82/96/98/356829698.db2.gz QDNAEBWXGFFJKY-GHMZBOCLSA-N 1 2 229.320 1.106 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639837233 356829700 /nfs/dbraw/zinc/82/97/00/356829700.db2.gz QDNAEBWXGFFJKY-GHMZBOCLSA-N 1 2 229.320 1.106 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC(C)C ZINC000356037748 356785548 /nfs/dbraw/zinc/78/55/48/356785548.db2.gz RAMKUXSMDUTDMI-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC(C)C ZINC000356037748 356785551 /nfs/dbraw/zinc/78/55/51/356785551.db2.gz RAMKUXSMDUTDMI-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC(C)C)CC2 ZINC000623369274 356871990 /nfs/dbraw/zinc/87/19/90/356871990.db2.gz WSDHPAQJGQIPTA-LBPRGKRZSA-N 1 2 249.358 1.916 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncnn1CC)c1cnn(C)c1 ZINC000359077794 356883415 /nfs/dbraw/zinc/88/34/15/356883415.db2.gz ZPQLJJBLFGAQLT-LLVKDONJSA-N 1 2 248.334 1.272 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccn1C ZINC000359292300 356887359 /nfs/dbraw/zinc/88/73/59/356887359.db2.gz DPOPSQYCSVBDKW-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccn1C ZINC000359292300 356887361 /nfs/dbraw/zinc/88/73/61/356887361.db2.gz DPOPSQYCSVBDKW-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cccc(O)c1 ZINC000352281837 538718796 /nfs/dbraw/zinc/71/87/96/538718796.db2.gz WITBNQVXFWVUHV-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cccc(O)c1 ZINC000352281837 538718803 /nfs/dbraw/zinc/71/88/03/538718803.db2.gz WITBNQVXFWVUHV-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000450557263 202196958 /nfs/dbraw/zinc/19/69/58/202196958.db2.gz VZFGSNHELHXDML-LBPRGKRZSA-N 1 2 243.314 1.491 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000450557263 202196961 /nfs/dbraw/zinc/19/69/61/202196961.db2.gz VZFGSNHELHXDML-LBPRGKRZSA-N 1 2 243.314 1.491 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000450557263 202196964 /nfs/dbraw/zinc/19/69/64/202196964.db2.gz VZFGSNHELHXDML-LBPRGKRZSA-N 1 2 243.314 1.491 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000450557263 202196968 /nfs/dbraw/zinc/19/69/68/202196968.db2.gz VZFGSNHELHXDML-LBPRGKRZSA-N 1 2 243.314 1.491 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000450557263 202196971 /nfs/dbraw/zinc/19/69/71/202196971.db2.gz VZFGSNHELHXDML-LBPRGKRZSA-N 1 2 243.314 1.491 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000450557263 202196973 /nfs/dbraw/zinc/19/69/73/202196973.db2.gz VZFGSNHELHXDML-LBPRGKRZSA-N 1 2 243.314 1.491 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000543092871 325071307 /nfs/dbraw/zinc/07/13/07/325071307.db2.gz PXYXFMSXWWGHQR-JTQLQIEISA-N 1 2 238.356 1.453 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+]1CCN(C)C(=O)C1 ZINC000543092871 325071310 /nfs/dbraw/zinc/07/13/10/325071310.db2.gz PXYXFMSXWWGHQR-JTQLQIEISA-N 1 2 238.356 1.453 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000359657029 356892854 /nfs/dbraw/zinc/89/28/54/356892854.db2.gz ZAPMBDQXNJIDSK-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000359657029 356892857 /nfs/dbraw/zinc/89/28/57/356892857.db2.gz ZAPMBDQXNJIDSK-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CCN(c1[nH+]c(C)nc2[nH]ccc21)[C@@H]1CCOC1 ZINC000359968151 356899284 /nfs/dbraw/zinc/89/92/84/356899284.db2.gz NWIWUSWTVKYUIV-SNVBAGLBSA-N 1 2 246.314 1.882 20 0 BDADLO CCN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CCOC1 ZINC000360035000 356901609 /nfs/dbraw/zinc/90/16/09/356901609.db2.gz CHZDVGTYEZLMHK-LLVKDONJSA-N 1 2 233.315 1.969 20 0 BDADLO CC[C@H](CO)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000450576712 202203080 /nfs/dbraw/zinc/20/30/80/202203080.db2.gz CWPKKSNEXUWVFH-SECBINFHSA-N 1 2 234.303 1.473 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCOC2=O)[C@H]1[C@@H]1CCCO1 ZINC000367706680 356958037 /nfs/dbraw/zinc/95/80/37/356958037.db2.gz ODYMDZCHSFGBDP-VWYCJHECSA-N 1 2 239.315 1.191 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCOC2=O)[C@H]1[C@@H]1CCCO1 ZINC000367706680 356958038 /nfs/dbraw/zinc/95/80/38/356958038.db2.gz ODYMDZCHSFGBDP-VWYCJHECSA-N 1 2 239.315 1.191 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cccc(C)n1 ZINC000399796070 357051650 /nfs/dbraw/zinc/05/16/50/357051650.db2.gz XEYURWYQVUDHOC-UHFFFAOYSA-N 1 2 222.288 1.037 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cccc(C)n1 ZINC000399796070 357051651 /nfs/dbraw/zinc/05/16/51/357051651.db2.gz XEYURWYQVUDHOC-UHFFFAOYSA-N 1 2 222.288 1.037 20 0 BDADLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC000353910705 538770594 /nfs/dbraw/zinc/77/05/94/538770594.db2.gz PVWXJCWZPLCWBS-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC000353910705 538770603 /nfs/dbraw/zinc/77/06/03/538770603.db2.gz PVWXJCWZPLCWBS-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CCc1nc(C[NH+]2CCC3(CCO3)CC2)n[nH]1 ZINC000370238458 357009536 /nfs/dbraw/zinc/00/95/36/357009536.db2.gz KSLYIOVRXDKMGZ-UHFFFAOYSA-N 1 2 236.319 1.122 20 0 BDADLO COc1cccc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000355262756 538791424 /nfs/dbraw/zinc/79/14/24/538791424.db2.gz HFFRJVLWGMXYNW-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO Cc1c[nH]c(=NCC[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000390477932 357095822 /nfs/dbraw/zinc/09/58/22/357095822.db2.gz LMMLDYCELZOHFC-VIFPVBQESA-N 1 2 241.360 1.006 20 0 BDADLO Cc1c[nH]c(=NCC[N@H+]2CCO[C@@H](C)C2)s1 ZINC000390477932 357095827 /nfs/dbraw/zinc/09/58/27/357095827.db2.gz LMMLDYCELZOHFC-VIFPVBQESA-N 1 2 241.360 1.006 20 0 BDADLO Cc1cnccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000391844572 357134955 /nfs/dbraw/zinc/13/49/55/357134955.db2.gz XUUXOIXNVTXASQ-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCOc1ccc2[nH]c(CCCO)[nH+]c2c1 ZINC000026462054 357135966 /nfs/dbraw/zinc/13/59/66/357135966.db2.gz IKKZNNUMWWMSOU-UHFFFAOYSA-N 1 2 220.272 1.887 20 0 BDADLO CCCCOCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000390779939 357116469 /nfs/dbraw/zinc/11/64/69/357116469.db2.gz IPNWQHSYFLIFJB-VIFPVBQESA-N 1 2 227.308 1.845 20 0 BDADLO CCCCOCC[NH2+][C@H](C)c1nnc(C)o1 ZINC000390779938 357116608 /nfs/dbraw/zinc/11/66/08/357116608.db2.gz IPNWQHSYFLIFJB-SECBINFHSA-N 1 2 227.308 1.845 20 0 BDADLO CCc1nc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)no1 ZINC000375002260 357171450 /nfs/dbraw/zinc/17/14/50/357171450.db2.gz BXHMQGSZCRMYTO-SECBINFHSA-N 1 2 247.302 1.692 20 0 BDADLO CC[C@@H](O)CCNc1cccc(-n2cc[nH+]c2)n1 ZINC000378195251 357246858 /nfs/dbraw/zinc/24/68/58/357246858.db2.gz UZBPSAHUKCVGBX-LLVKDONJSA-N 1 2 246.314 1.262 20 0 BDADLO Cc1c[nH]c(CN2CC3(C2)CCCO3)[nH+]1 ZINC000628427521 357257182 /nfs/dbraw/zinc/25/71/82/357257182.db2.gz HOOJUUGRPBZXJG-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO COc1ccc[nH+]c1NCC(=O)NCC1CC1 ZINC000393093739 357267683 /nfs/dbraw/zinc/26/76/83/357267683.db2.gz KVWVGEVJGHLIKN-UHFFFAOYSA-N 1 2 235.287 1.028 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1OC2CCC1CC2 ZINC000639899370 357276804 /nfs/dbraw/zinc/27/68/04/357276804.db2.gz HCWNXCWZDUKPKH-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CCCc1noc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000583701583 357312101 /nfs/dbraw/zinc/31/21/01/357312101.db2.gz TXEBOXBYXGHBTE-RKDXNWHRSA-N 1 2 239.319 1.271 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000381481199 357343380 /nfs/dbraw/zinc/34/33/80/357343380.db2.gz DMUHAFWKSDFUMI-VHSXEESVSA-N 1 2 221.304 1.611 20 0 BDADLO CCO[C@@H]1C[C@@H]1[NH2+]Cc1cc(COC)on1 ZINC000582771267 357385720 /nfs/dbraw/zinc/38/57/20/357385720.db2.gz YIWFRCIFBQFUQK-WDEREUQCSA-N 1 2 226.276 1.088 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000582785317 357392652 /nfs/dbraw/zinc/39/26/52/357392652.db2.gz ARIVAJGGYZNUND-WOPDTQHZSA-N 1 2 243.347 1.731 20 0 BDADLO CC(F)(F)C[NH2+][C@H](CS(C)(=O)=O)C1CC1 ZINC000378849734 357395327 /nfs/dbraw/zinc/39/53/27/357395327.db2.gz DERTZMOWMPPPMX-MRVPVSSYSA-N 1 2 241.303 1.054 20 0 BDADLO COCC1(CC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000582846843 357418002 /nfs/dbraw/zinc/41/80/02/357418002.db2.gz RUNABVBSKSLCHM-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO Cc1cc([NH2+]C[C@@H](C)CO)ccc1-n1cnnn1 ZINC000157875250 538842642 /nfs/dbraw/zinc/84/26/42/538842642.db2.gz DIHPXFXLRYDTMW-SECBINFHSA-N 1 2 247.302 1.011 20 0 BDADLO Cc1ncsc1CCNc1nc(C)[nH+]cc1C ZINC000582916839 357435897 /nfs/dbraw/zinc/43/58/97/357435897.db2.gz UVJXZLBYLAMESN-UHFFFAOYSA-N 1 2 248.355 1.935 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC(C)(F)F ZINC000582924092 357437749 /nfs/dbraw/zinc/43/77/49/357437749.db2.gz KVAPXHCDIFCLIS-UHFFFAOYSA-N 1 2 217.219 1.032 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC(C)(F)F ZINC000582924092 357437755 /nfs/dbraw/zinc/43/77/55/357437755.db2.gz KVAPXHCDIFCLIS-UHFFFAOYSA-N 1 2 217.219 1.032 20 0 BDADLO C[C@H]1CN(C)CC[N@@H+]1Cc1ccccn1 ZINC000219094595 357381468 /nfs/dbraw/zinc/38/14/68/357381468.db2.gz BWESDDLFSGEAPU-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO C[C@H]1CN(C)CC[N@H+]1Cc1ccccn1 ZINC000219094595 357381473 /nfs/dbraw/zinc/38/14/73/357381473.db2.gz BWESDDLFSGEAPU-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO C[NH2+][C@H](CC(C)(C)C)C(=O)N=c1cc(C)o[nH]1 ZINC000395766332 357454897 /nfs/dbraw/zinc/45/48/97/357454897.db2.gz YSUNRGJCDPBSSA-SECBINFHSA-N 1 2 239.319 1.368 20 0 BDADLO CC[C@](C)(O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583148337 357494543 /nfs/dbraw/zinc/49/45/43/357494543.db2.gz XMDLEQHVVNXEID-JQWIXIFHSA-N 1 2 239.319 1.111 20 0 BDADLO CC[C@@](C)(O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583148339 357494681 /nfs/dbraw/zinc/49/46/81/357494681.db2.gz XMDLEQHVVNXEID-ZYHUDNBSSA-N 1 2 239.319 1.111 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cn1 ZINC000158142829 538850680 /nfs/dbraw/zinc/85/06/80/538850680.db2.gz PMUMWDGWRJOJOM-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO C[C@@H]1CC[C@@H](C[NH+]2CCN(CC3CC3)CC2)O1 ZINC000188540911 357559047 /nfs/dbraw/zinc/55/90/47/357559047.db2.gz YXOQBNHXBXARLY-OCCSQVGLSA-N 1 2 238.375 1.582 20 0 BDADLO Cc1cccc(CCNc2cc[nH+]c(C)n2)n1 ZINC000359814097 538859017 /nfs/dbraw/zinc/85/90/17/538859017.db2.gz ITPKDZUIHCBTPG-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC1(C)C ZINC000583223074 357629916 /nfs/dbraw/zinc/62/99/16/357629916.db2.gz ACRQAOBUUCFKIU-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccccc1 ZINC000189540105 357643967 /nfs/dbraw/zinc/64/39/67/357643967.db2.gz MJKMHLMUIKUXRV-OLZOCXBDSA-N 1 2 249.310 1.185 20 0 BDADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccccc1 ZINC000189540105 357643969 /nfs/dbraw/zinc/64/39/69/357643969.db2.gz MJKMHLMUIKUXRV-OLZOCXBDSA-N 1 2 249.310 1.185 20 0 BDADLO FC(F)COCC[N@@H+]1CCOCC12CCC2 ZINC000189734824 357665670 /nfs/dbraw/zinc/66/56/70/357665670.db2.gz WSMDTKUUEBIHMQ-UHFFFAOYSA-N 1 2 235.274 1.523 20 0 BDADLO FC(F)COCC[N@H+]1CCOCC12CCC2 ZINC000189734824 357665679 /nfs/dbraw/zinc/66/56/79/357665679.db2.gz WSMDTKUUEBIHMQ-UHFFFAOYSA-N 1 2 235.274 1.523 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nnnn2C)c(C)o1 ZINC000189942578 357676472 /nfs/dbraw/zinc/67/64/72/357676472.db2.gz PIVNKEKEPRUZMF-RKDXNWHRSA-N 1 2 249.318 1.832 20 0 BDADLO C[N@H+](Cc1cn(C(C)(C)C)nn1)C1CC1 ZINC000191231311 357759210 /nfs/dbraw/zinc/75/92/10/357759210.db2.gz LDGYUFLOYVJOLD-UHFFFAOYSA-N 1 2 208.309 1.627 20 0 BDADLO C[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CC1 ZINC000191231311 357759211 /nfs/dbraw/zinc/75/92/11/357759211.db2.gz LDGYUFLOYVJOLD-UHFFFAOYSA-N 1 2 208.309 1.627 20 0 BDADLO CC[C@@](C)(OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000233967560 357764280 /nfs/dbraw/zinc/76/42/80/357764280.db2.gz ISWYKWZACVLWHX-LLVKDONJSA-N 1 2 225.292 1.183 20 0 BDADLO CC1(C)C[N@H+](CC(N)=O)[C@@H]1c1ccco1 ZINC000639924641 357796560 /nfs/dbraw/zinc/79/65/60/357796560.db2.gz BIMSAAYSDRSEGL-SNVBAGLBSA-N 1 2 208.261 1.148 20 0 BDADLO CC1(C)C[N@@H+](CC(N)=O)[C@@H]1c1ccco1 ZINC000639924641 357796563 /nfs/dbraw/zinc/79/65/63/357796563.db2.gz BIMSAAYSDRSEGL-SNVBAGLBSA-N 1 2 208.261 1.148 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)[C@@H](C)O ZINC000191959429 357806255 /nfs/dbraw/zinc/80/62/55/357806255.db2.gz CEMUXZIKWMVUFE-GUDRVLHUSA-N 1 2 243.347 1.323 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCSCC1 ZINC000191944067 357806358 /nfs/dbraw/zinc/80/63/58/357806358.db2.gz YWFQWSHXYJWBMO-QMMMGPOBSA-N 1 2 239.348 1.118 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC(=O)CC12CCC2 ZINC000583271706 357778795 /nfs/dbraw/zinc/77/87/95/357778795.db2.gz MTCRSANIPMWTKG-UHFFFAOYSA-N 1 2 238.331 1.099 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC(=O)CC12CCC2 ZINC000583271706 357778798 /nfs/dbraw/zinc/77/87/98/357778798.db2.gz MTCRSANIPMWTKG-UHFFFAOYSA-N 1 2 238.331 1.099 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191715823 357789625 /nfs/dbraw/zinc/78/96/25/357789625.db2.gz KEWQGDOKGHEPGK-SRVKXCTJSA-N 1 2 245.363 1.977 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191715793 357790457 /nfs/dbraw/zinc/79/04/57/357790457.db2.gz KEWQGDOKGHEPGK-TUAOUCFPSA-N 1 2 245.363 1.977 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](CO)C[C@H](C)C1 ZINC000398705783 357889634 /nfs/dbraw/zinc/88/96/34/357889634.db2.gz LJBWEKXDNCOSBR-WDEREUQCSA-N 1 2 236.315 1.545 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](C)C[C@H](CO)C1 ZINC000398705782 357889664 /nfs/dbraw/zinc/88/96/64/357889664.db2.gz LJBWEKXDNCOSBR-QWRGUYRKSA-N 1 2 236.315 1.545 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOCC12CCC2 ZINC000193443323 357925303 /nfs/dbraw/zinc/92/53/03/357925303.db2.gz HBAMKGYOGTYPPR-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ncccc1C[N@H+]1CCOCC12CCC2 ZINC000193443323 357925305 /nfs/dbraw/zinc/92/53/05/357925305.db2.gz HBAMKGYOGTYPPR-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO Nc1ncc(C[N@@H+]2CCO[C@H](CCF)C2)s1 ZINC000628457527 358016505 /nfs/dbraw/zinc/01/65/05/358016505.db2.gz BLZUCGHDZTZFEC-MRVPVSSYSA-N 1 2 245.323 1.116 20 0 BDADLO Nc1ncc(C[N@H+]2CCO[C@H](CCF)C2)s1 ZINC000628457527 358016509 /nfs/dbraw/zinc/01/65/09/358016509.db2.gz BLZUCGHDZTZFEC-MRVPVSSYSA-N 1 2 245.323 1.116 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000639966734 358021054 /nfs/dbraw/zinc/02/10/54/358021054.db2.gz FVDVBXDXYIEDAM-VIFPVBQESA-N 1 2 238.335 1.065 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000639966734 358021056 /nfs/dbraw/zinc/02/10/56/358021056.db2.gz FVDVBXDXYIEDAM-VIFPVBQESA-N 1 2 238.335 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](O)C(C)C ZINC000639971267 358021638 /nfs/dbraw/zinc/02/16/38/358021638.db2.gz PFIOIRZRPMVZPI-LLVKDONJSA-N 1 2 211.309 1.167 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](O)C(C)C ZINC000639971267 358021639 /nfs/dbraw/zinc/02/16/39/358021639.db2.gz PFIOIRZRPMVZPI-LLVKDONJSA-N 1 2 211.309 1.167 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1cscn1 ZINC000639970822 358023972 /nfs/dbraw/zinc/02/39/72/358023972.db2.gz LHTAHGHSXCIUHE-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cscn1 ZINC000639970822 358023974 /nfs/dbraw/zinc/02/39/74/358023974.db2.gz LHTAHGHSXCIUHE-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cnn(C)c1 ZINC000639971024 358024232 /nfs/dbraw/zinc/02/42/32/358024232.db2.gz VKFYMNNJPHDHHV-UHFFFAOYSA-N 1 2 233.319 1.126 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1cnn(C)c1 ZINC000639971024 358024234 /nfs/dbraw/zinc/02/42/34/358024234.db2.gz VKFYMNNJPHDHHV-UHFFFAOYSA-N 1 2 233.319 1.126 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000639970959 358024447 /nfs/dbraw/zinc/02/44/47/358024447.db2.gz LZDMAIDENGSAEU-SKDRFNHKSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000639970959 358024449 /nfs/dbraw/zinc/02/44/49/358024449.db2.gz LZDMAIDENGSAEU-SKDRFNHKSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](O)CCC(C)C ZINC000639971836 358030839 /nfs/dbraw/zinc/03/08/39/358030839.db2.gz XSPAUOKALVGGCF-CYBMUJFWSA-N 1 2 239.363 1.947 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](O)CCC(C)C ZINC000639971836 358030844 /nfs/dbraw/zinc/03/08/44/358030844.db2.gz XSPAUOKALVGGCF-CYBMUJFWSA-N 1 2 239.363 1.947 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000628458099 358040235 /nfs/dbraw/zinc/04/02/35/358040235.db2.gz CTHRONYIXDDOLT-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000628458099 358040236 /nfs/dbraw/zinc/04/02/36/358040236.db2.gz CTHRONYIXDDOLT-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCO[C@@H](C)C1 ZINC000583864658 358044763 /nfs/dbraw/zinc/04/47/63/358044763.db2.gz XNEUOWLGXHTVDQ-JTQLQIEISA-N 1 2 221.304 1.709 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000170764483 134253798 /nfs/dbraw/zinc/25/37/98/134253798.db2.gz FAUDCRPQCXJLGA-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000170764483 134253799 /nfs/dbraw/zinc/25/37/99/134253799.db2.gz FAUDCRPQCXJLGA-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000628459699 358094676 /nfs/dbraw/zinc/09/46/76/358094676.db2.gz WOAMJGYALYSXDO-LBPRGKRZSA-N 1 2 239.294 1.544 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000628459699 358094677 /nfs/dbraw/zinc/09/46/77/358094677.db2.gz WOAMJGYALYSXDO-LBPRGKRZSA-N 1 2 239.294 1.544 20 0 BDADLO CC[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000584638293 358124597 /nfs/dbraw/zinc/12/45/97/358124597.db2.gz LZBVFDKBLZGTPM-QMMMGPOBSA-N 1 2 209.293 1.807 20 0 BDADLO CC[C@]1(O)CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000640035232 358125277 /nfs/dbraw/zinc/12/52/77/358125277.db2.gz IQROWDQXFQTJIC-CABZTGNLSA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@]1(O)CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000640035232 358125278 /nfs/dbraw/zinc/12/52/78/358125278.db2.gz IQROWDQXFQTJIC-CABZTGNLSA-N 1 2 239.319 1.676 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225301087 535405141 /nfs/dbraw/zinc/40/51/41/535405141.db2.gz JTIQRSYYFCCQGA-LURJTMIESA-N 1 2 247.751 1.411 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)CCCO)[nH+]1 ZINC000450631604 202218441 /nfs/dbraw/zinc/21/84/41/202218441.db2.gz YUOYSQGHLXWQLK-VIFPVBQESA-N 1 2 248.330 1.509 20 0 BDADLO O[C@@H]1CC[N@H+](CC(F)F)[C@@H]2CCCC[C@@H]12 ZINC000640094491 358185937 /nfs/dbraw/zinc/18/59/37/358185937.db2.gz GKMKJNOQLRDVJY-OPRDCNLKSA-N 1 2 219.275 1.877 20 0 BDADLO O[C@@H]1CC[N@@H+](CC(F)F)[C@@H]2CCCC[C@@H]12 ZINC000640094491 358185943 /nfs/dbraw/zinc/18/59/43/358185943.db2.gz GKMKJNOQLRDVJY-OPRDCNLKSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H](Cc1nc(-c2ncc[nH]2)no1)n1cc[nH+]c1 ZINC000351394201 358186733 /nfs/dbraw/zinc/18/67/33/358186733.db2.gz BVTZQOMKIMRJNN-MRVPVSSYSA-N 1 2 244.258 1.460 20 0 BDADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCF)CCO1 ZINC000610821150 358200589 /nfs/dbraw/zinc/20/05/89/358200589.db2.gz OSHPXEJMPRNNIF-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCF)CCO1 ZINC000610821150 358200592 /nfs/dbraw/zinc/20/05/92/358200592.db2.gz OSHPXEJMPRNNIF-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO Cc1noc(C[NH2+][C@H](C)c2cnc(C)s2)n1 ZINC000090408223 491126328 /nfs/dbraw/zinc/12/63/28/491126328.db2.gz OHQGGRHCQRYLEO-ZCFIWIBFSA-N 1 2 238.316 1.994 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cnn[nH]2)C[C@H]1O ZINC000450694706 202236632 /nfs/dbraw/zinc/23/66/32/202236632.db2.gz ORKMWZGNMFBGRG-WDEREUQCSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@H]1O ZINC000450694706 202236634 /nfs/dbraw/zinc/23/66/34/202236634.db2.gz ORKMWZGNMFBGRG-WDEREUQCSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2c[nH]nn2)C[C@H]1O ZINC000450694706 202236637 /nfs/dbraw/zinc/23/66/37/202236637.db2.gz ORKMWZGNMFBGRG-WDEREUQCSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@H]1O ZINC000450694706 202236640 /nfs/dbraw/zinc/23/66/40/202236640.db2.gz ORKMWZGNMFBGRG-WDEREUQCSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cn[nH]n2)C[C@H]1O ZINC000450694706 202236643 /nfs/dbraw/zinc/23/66/43/202236643.db2.gz ORKMWZGNMFBGRG-WDEREUQCSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@H]1O ZINC000450694706 202236645 /nfs/dbraw/zinc/23/66/45/202236645.db2.gz ORKMWZGNMFBGRG-WDEREUQCSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H](O)[C@@H]2C)cc[nH+]1 ZINC000450709133 202241442 /nfs/dbraw/zinc/24/14/42/202241442.db2.gz AVIKMGXXDMXSFX-WDEREUQCSA-N 1 2 235.331 1.950 20 0 BDADLO Cc1nn(C)cc1CSc1nc(N)cc(C)[nH+]1 ZINC000450720737 202243409 /nfs/dbraw/zinc/24/34/09/202243409.db2.gz UQRXGBSOHZNQMH-UHFFFAOYSA-N 1 2 249.343 1.532 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000450726723 202247144 /nfs/dbraw/zinc/24/71/44/202247144.db2.gz WDWGUVXVFKVWOJ-OUAUKWLOSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccco1 ZINC000041392399 358301673 /nfs/dbraw/zinc/30/16/73/358301673.db2.gz JRJGUATYQVIXBK-JTQLQIEISA-N 1 2 211.261 1.663 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccco1 ZINC000041392399 358301678 /nfs/dbraw/zinc/30/16/78/358301678.db2.gz JRJGUATYQVIXBK-JTQLQIEISA-N 1 2 211.261 1.663 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccco1 ZINC000041392401 358301913 /nfs/dbraw/zinc/30/19/13/358301913.db2.gz JRJGUATYQVIXBK-SNVBAGLBSA-N 1 2 211.261 1.663 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccco1 ZINC000041392401 358301915 /nfs/dbraw/zinc/30/19/15/358301915.db2.gz JRJGUATYQVIXBK-SNVBAGLBSA-N 1 2 211.261 1.663 20 0 BDADLO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000450764084 202258600 /nfs/dbraw/zinc/25/86/00/202258600.db2.gz PZNMTQAXARSJCQ-GHMZBOCLSA-N 1 2 240.376 1.959 20 0 BDADLO Cc1ccc[nH+]c1CCNc1nccc(CO)n1 ZINC000450738955 202251063 /nfs/dbraw/zinc/25/10/63/202251063.db2.gz PBZJSQXZMOQELU-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO CC[C@@H](Nc1cnccn1)c1[nH]cc[nH+]1 ZINC000125230610 491128849 /nfs/dbraw/zinc/12/88/49/491128849.db2.gz WAKHSOZZYLOTQK-MRVPVSSYSA-N 1 2 203.249 1.763 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCSC1 ZINC000228626289 358382685 /nfs/dbraw/zinc/38/26/85/358382685.db2.gz GFAZTACDLBTTAJ-ZETCQYMHSA-N 1 2 240.332 1.232 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCSC1 ZINC000228626289 358382689 /nfs/dbraw/zinc/38/26/89/358382689.db2.gz GFAZTACDLBTTAJ-ZETCQYMHSA-N 1 2 240.332 1.232 20 0 BDADLO Cc1cc(C#N)ccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000387302166 363610086 /nfs/dbraw/zinc/61/00/86/363610086.db2.gz PARUUDFFTMWYDA-LLVKDONJSA-N 1 2 243.310 1.187 20 0 BDADLO Cc1cc(C#N)ccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000387302166 363610095 /nfs/dbraw/zinc/61/00/95/363610095.db2.gz PARUUDFFTMWYDA-LLVKDONJSA-N 1 2 243.310 1.187 20 0 BDADLO CCNC(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640153188 358432258 /nfs/dbraw/zinc/43/22/58/358432258.db2.gz MSKZTKQZTRERFZ-LLVKDONJSA-N 1 2 242.269 1.562 20 0 BDADLO COCCc1noc(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000547768762 325394539 /nfs/dbraw/zinc/39/45/39/325394539.db2.gz QVAHUNXEERDKFT-IUCAKERBSA-N 1 2 225.292 1.241 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000129606104 358589512 /nfs/dbraw/zinc/58/95/12/358589512.db2.gz MJNPBIIVQAJCHC-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC2(CCC2)C1 ZINC000129606104 358589515 /nfs/dbraw/zinc/58/95/15/358589515.db2.gz MJNPBIIVQAJCHC-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO CCCc1nc(C[N@@H+]2CCCC[C@@H]2CO)no1 ZINC000048755823 358653321 /nfs/dbraw/zinc/65/33/21/358653321.db2.gz GMFDJGDBIWUDSX-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCCC[C@@H]2CO)no1 ZINC000048755823 358653324 /nfs/dbraw/zinc/65/33/24/358653324.db2.gz GMFDJGDBIWUDSX-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)n1cncc1C[NH2+]Cc1ccn(C)n1 ZINC000213165069 358671192 /nfs/dbraw/zinc/67/11/92/358671192.db2.gz CBVVWDCSLKTCSQ-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(O)c1 ZINC000049237702 358677849 /nfs/dbraw/zinc/67/78/49/358677849.db2.gz WEHXIAKCIJVUOD-SNVBAGLBSA-N 1 2 245.282 1.407 20 0 BDADLO CCOC1CC([NH2+][C@H](CC(C)C)C(=O)OC)C1 ZINC000131482858 358678762 /nfs/dbraw/zinc/67/87/62/358678762.db2.gz JNNZCVRJAIMTKU-HTAVTVPLSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]Cc1cccn1C)C(=O)OC ZINC000049537321 358694209 /nfs/dbraw/zinc/69/42/09/358694209.db2.gz MUOWIUDPHHJCNJ-ZYHUDNBSSA-N 1 2 238.331 1.702 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H]1CCCCO1)C1CC1 ZINC000049573493 358695394 /nfs/dbraw/zinc/69/53/94/358695394.db2.gz ZDFCSGDVCIBEIP-GFCCVEGCSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H]1CCCCO1)C1CC1 ZINC000049573493 358695397 /nfs/dbraw/zinc/69/53/97/358695397.db2.gz ZDFCSGDVCIBEIP-GFCCVEGCSA-N 1 2 241.331 1.583 20 0 BDADLO OC[C@H]1C[C@@H](O)CN1c1cc2ccccc2c[nH+]1 ZINC000631185143 358748324 /nfs/dbraw/zinc/74/83/24/358748324.db2.gz BELFOCIYFLJHQX-CHWSQXEVSA-N 1 2 244.294 1.167 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000051838185 358764529 /nfs/dbraw/zinc/76/45/29/358764529.db2.gz GBJMVSAEYREDET-SNVBAGLBSA-N 1 2 247.298 1.549 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000051838185 358764530 /nfs/dbraw/zinc/76/45/30/358764530.db2.gz GBJMVSAEYREDET-SNVBAGLBSA-N 1 2 247.298 1.549 20 0 BDADLO CC(C)c1nc(C[NH+](CCO)CCO)cs1 ZINC000050103415 358714804 /nfs/dbraw/zinc/71/48/04/358714804.db2.gz YCHRGPIHFPRESC-UHFFFAOYSA-N 1 2 244.360 1.053 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052634482 358789576 /nfs/dbraw/zinc/78/95/76/358789576.db2.gz HWYWKDXIPGOTCT-OUAUKWLOSA-N 1 2 228.336 1.010 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052634482 358789579 /nfs/dbraw/zinc/78/95/79/358789579.db2.gz HWYWKDXIPGOTCT-OUAUKWLOSA-N 1 2 228.336 1.010 20 0 BDADLO CCc1noc(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000640215317 358789957 /nfs/dbraw/zinc/78/99/57/358789957.db2.gz DMBIFFZXKDISFT-SECBINFHSA-N 1 2 247.302 1.453 20 0 BDADLO C[C@@H](N(C)C(=O)Cn1cc[nH+]c1)C1(C)CC1 ZINC000578291451 366475806 /nfs/dbraw/zinc/47/58/06/366475806.db2.gz WHRGSULOHPSUJY-SNVBAGLBSA-N 1 2 221.304 1.530 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135515420 358841883 /nfs/dbraw/zinc/84/18/83/358841883.db2.gz IDUUJAZHXCLYSW-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCOCC12CCC2 ZINC000135515420 358841884 /nfs/dbraw/zinc/84/18/84/358841884.db2.gz IDUUJAZHXCLYSW-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@@H](NC(=O)c1ncccc1O)c1[nH]cc[nH+]1 ZINC000139747907 358913499 /nfs/dbraw/zinc/91/34/99/358913499.db2.gz VIYPDFLCPPLIFB-MRVPVSSYSA-N 1 2 246.270 1.391 20 0 BDADLO CC(=O)CN(C(=O)C[NH+]1CC(C)(C)C1)C(C)C ZINC000633221255 358900625 /nfs/dbraw/zinc/90/06/25/358900625.db2.gz SRKFMSCMMRLZPF-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@H]1C(F)F)n1cc[nH+]c1 ZINC000633238435 358969804 /nfs/dbraw/zinc/96/98/04/358969804.db2.gz IBSCTOYIZZSRIX-IUCAKERBSA-N 1 2 243.257 1.700 20 0 BDADLO CC[C@@H](NC(=O)C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000140691978 358924853 /nfs/dbraw/zinc/92/48/53/358924853.db2.gz QITAVZHFDKXSOA-VHSXEESVSA-N 1 2 237.303 1.546 20 0 BDADLO CC[C@H](NC(=O)C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000140692160 358924998 /nfs/dbraw/zinc/92/49/98/358924998.db2.gz QITAVZHFDKXSOA-ZJUUUORDSA-N 1 2 237.303 1.546 20 0 BDADLO CC[C@H](NC(=O)c1cccnc1)c1[nH]cc[nH+]1 ZINC000140675696 358925297 /nfs/dbraw/zinc/92/52/97/358925297.db2.gz NQDSUCXNYDDSDI-JTQLQIEISA-N 1 2 230.271 1.686 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180258 358929287 /nfs/dbraw/zinc/92/92/87/358929287.db2.gz VQZOENFKOIWMRZ-ZETCQYMHSA-N 1 2 207.220 1.137 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180258 358929293 /nfs/dbraw/zinc/92/92/93/358929293.db2.gz VQZOENFKOIWMRZ-ZETCQYMHSA-N 1 2 207.220 1.137 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)NC1CC1 ZINC000177712090 134301774 /nfs/dbraw/zinc/30/17/74/134301774.db2.gz ITDLUTRYSJYMEU-UHFFFAOYSA-N 1 2 230.271 1.296 20 0 BDADLO CCc1cc(N[C@H](C)CC[S@](C)=O)nc[nH+]1 ZINC000130269682 358995469 /nfs/dbraw/zinc/99/54/69/358995469.db2.gz XDBALVYBZBDYFT-JDNHERCYSA-N 1 2 241.360 1.608 20 0 BDADLO c1coc([C@H]2C[N@H+](C[C@H]3CCCO3)CCO2)c1 ZINC000246980325 359179828 /nfs/dbraw/zinc/17/98/28/359179828.db2.gz PUSITWPDASPYPP-DGCLKSJQSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)c1 ZINC000246980325 359179834 /nfs/dbraw/zinc/17/98/34/359179834.db2.gz PUSITWPDASPYPP-DGCLKSJQSA-N 1 2 237.299 1.832 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000247139385 359196905 /nfs/dbraw/zinc/19/69/05/359196905.db2.gz XCWKHIDDWJKMDP-WDEREUQCSA-N 1 2 221.304 1.382 20 0 BDADLO O=C(NC1CCCC1)N1CCn2cc[nH+]c2C1 ZINC000074902461 359133144 /nfs/dbraw/zinc/13/31/44/359133144.db2.gz CKYIZRDVXUXIDZ-UHFFFAOYSA-N 1 2 234.303 1.351 20 0 BDADLO COC(=O)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000074932058 359136132 /nfs/dbraw/zinc/13/61/32/359136132.db2.gz CPWHIEMLQWPTJN-UHFFFAOYSA-N 1 2 222.244 1.282 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@H+](C)[C@H]1C=CCCC1 ZINC000611210153 359142457 /nfs/dbraw/zinc/14/24/57/359142457.db2.gz RWGVZDRNZHADHI-RYUDHWBXSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)[C@H]1C=CCCC1 ZINC000611210153 359142460 /nfs/dbraw/zinc/14/24/60/359142460.db2.gz RWGVZDRNZHADHI-RYUDHWBXSA-N 1 2 241.331 1.605 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000246798225 359165054 /nfs/dbraw/zinc/16/50/54/359165054.db2.gz QUQVNNWRAANMSJ-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000246798225 359165058 /nfs/dbraw/zinc/16/50/58/359165058.db2.gz QUQVNNWRAANMSJ-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000246798239 359165486 /nfs/dbraw/zinc/16/54/86/359165486.db2.gz QUQVNNWRAANMSJ-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000246798239 359165490 /nfs/dbraw/zinc/16/54/90/359165490.db2.gz QUQVNNWRAANMSJ-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO FC(F)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000075890084 359244348 /nfs/dbraw/zinc/24/43/48/359244348.db2.gz BUQIPRODKRTFDV-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC(C)C)C[C@@H](C)O1 ZINC000247481722 359224458 /nfs/dbraw/zinc/22/44/58/359224458.db2.gz FRCDSCGYAIGPEW-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@@H](C)O1 ZINC000247481722 359224459 /nfs/dbraw/zinc/22/44/59/359224459.db2.gz FRCDSCGYAIGPEW-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO C/C=C\C(=O)Nc1ccc[nH+]c1N(C)C ZINC000228171054 359316114 /nfs/dbraw/zinc/31/61/14/359316114.db2.gz DMQBJWSVEIEWJN-XQRVVYSFSA-N 1 2 205.261 1.662 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccon2)ccn1 ZINC000623438508 359331169 /nfs/dbraw/zinc/33/11/69/359331169.db2.gz BPLYUTODCYGPAS-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611516927 359386077 /nfs/dbraw/zinc/38/60/77/359386077.db2.gz JRNZJRFPOMGQBE-MRVPVSSYSA-N 1 2 235.274 1.915 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611516927 359386080 /nfs/dbraw/zinc/38/60/80/359386080.db2.gz JRNZJRFPOMGQBE-MRVPVSSYSA-N 1 2 235.274 1.915 20 0 BDADLO CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000611840988 359462238 /nfs/dbraw/zinc/46/22/38/359462238.db2.gz LFNBPNMIWANKME-JPPWEJMLSA-N 1 2 233.315 1.438 20 0 BDADLO CC[C@]1(Nc2cc[nH+]c(C)n2)CCOC1 ZINC000308967885 491141247 /nfs/dbraw/zinc/14/12/47/491141247.db2.gz XCIJOVPIMDYOIB-NSHDSACASA-N 1 2 207.277 1.766 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1[C@@H](C)C[C@@H]1C)CC2 ZINC000626725980 359583232 /nfs/dbraw/zinc/58/32/32/359583232.db2.gz KFEXIZDQNQKTKY-SDDRHHMPSA-N 1 2 247.342 1.763 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCCF)C1CC1 ZINC000137654309 325487369 /nfs/dbraw/zinc/48/73/69/325487369.db2.gz IIRRBIIYZDAVBK-JTQLQIEISA-N 1 2 203.257 1.277 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(C)CCC1 ZINC000612039656 359619438 /nfs/dbraw/zinc/61/94/38/359619438.db2.gz UTQVSBOCEVMBAK-GHMZBOCLSA-N 1 2 247.342 1.830 20 0 BDADLO Cc1nc(N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc[nH+]1 ZINC000450810046 202272144 /nfs/dbraw/zinc/27/21/44/202272144.db2.gz KDACHUSICRLJGU-UPJWGTAASA-N 1 2 247.342 1.772 20 0 BDADLO CCn1ccnc1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000450825799 202278645 /nfs/dbraw/zinc/27/86/45/202278645.db2.gz FKSFROAHUKRRCH-SECBINFHSA-N 1 2 231.303 1.596 20 0 BDADLO COC(=O)C1(C[N@@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC000450848153 202287154 /nfs/dbraw/zinc/28/71/54/202287154.db2.gz QXOAYPNLKCEYLQ-VIFPVBQESA-N 1 2 247.285 1.917 20 0 BDADLO COC(=O)C1(C[N@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC000450848153 202287157 /nfs/dbraw/zinc/28/71/57/202287157.db2.gz QXOAYPNLKCEYLQ-VIFPVBQESA-N 1 2 247.285 1.917 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CC(=O)N(C2CC2)C1 ZINC000450887531 202298636 /nfs/dbraw/zinc/29/86/36/202298636.db2.gz ZKGYCGOKZLSQNZ-JTQLQIEISA-N 1 2 210.321 1.685 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CC(=O)N(C2CC2)C1 ZINC000450887531 202298640 /nfs/dbraw/zinc/29/86/40/202298640.db2.gz ZKGYCGOKZLSQNZ-JTQLQIEISA-N 1 2 210.321 1.685 20 0 BDADLO CCO[C@@H]1COC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000450893208 202301701 /nfs/dbraw/zinc/30/17/01/202301701.db2.gz BBXWRXHCVYBQTQ-NXEZZACHSA-N 1 2 223.276 1.001 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000450905658 202304861 /nfs/dbraw/zinc/30/48/61/202304861.db2.gz HDFPBVZDWXPNEO-CYBMUJFWSA-N 1 2 241.331 1.237 20 0 BDADLO CCC(=O)CCC[N@H+]1CCOC[C@]12CCOC2 ZINC000450905658 202304865 /nfs/dbraw/zinc/30/48/65/202304865.db2.gz HDFPBVZDWXPNEO-CYBMUJFWSA-N 1 2 241.331 1.237 20 0 BDADLO COc1cccnc1CNc1cc[nH+]c(C)n1 ZINC000450925147 202310098 /nfs/dbraw/zinc/31/00/98/202310098.db2.gz HRXAYPUWGVIHJO-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(=O)NC ZINC000450947654 202316142 /nfs/dbraw/zinc/31/61/42/202316142.db2.gz ZFMPYIBOBSZRJA-JTQLQIEISA-N 1 2 248.330 1.021 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC=CC1 ZINC000612371636 359809839 /nfs/dbraw/zinc/80/98/39/359809839.db2.gz LFKQAJYBHIGSMZ-GHMZBOCLSA-N 1 2 231.299 1.358 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)s1)C[C@H](C)O ZINC000450977868 202325037 /nfs/dbraw/zinc/32/50/37/202325037.db2.gz KGMXGNHBQFDNSC-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)s1)C[C@H](C)O ZINC000450977868 202325040 /nfs/dbraw/zinc/32/50/40/202325040.db2.gz KGMXGNHBQFDNSC-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1[nH]cc[nH+]1 ZINC000578452321 366573905 /nfs/dbraw/zinc/57/39/05/366573905.db2.gz HFPUTSMKROOTEN-ZYUZMQFOSA-N 1 2 235.287 1.012 20 0 BDADLO CSC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000451064796 202342683 /nfs/dbraw/zinc/34/26/83/202342683.db2.gz JRRCIUGPRPKMEJ-VIFPVBQESA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000451064796 202342686 /nfs/dbraw/zinc/34/26/86/202342686.db2.gz JRRCIUGPRPKMEJ-VIFPVBQESA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000451064796 202342689 /nfs/dbraw/zinc/34/26/89/202342689.db2.gz JRRCIUGPRPKMEJ-VIFPVBQESA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000451064796 202342693 /nfs/dbraw/zinc/34/26/93/202342693.db2.gz JRRCIUGPRPKMEJ-VIFPVBQESA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000451064796 202342695 /nfs/dbraw/zinc/34/26/95/202342695.db2.gz JRRCIUGPRPKMEJ-VIFPVBQESA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000451064796 202342699 /nfs/dbraw/zinc/34/26/99/202342699.db2.gz JRRCIUGPRPKMEJ-VIFPVBQESA-N 1 2 226.349 1.380 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000451161111 202368420 /nfs/dbraw/zinc/36/84/20/202368420.db2.gz XCLLIGWXRIOUQV-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000451161111 202368423 /nfs/dbraw/zinc/36/84/23/202368423.db2.gz XCLLIGWXRIOUQV-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@H](F)C2)C1 ZINC000451180079 202369891 /nfs/dbraw/zinc/36/98/91/202369891.db2.gz BZBVECMQWNCPTI-UTUOFQBUSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@H](F)C2)C1 ZINC000451180079 202369894 /nfs/dbraw/zinc/36/98/94/202369894.db2.gz BZBVECMQWNCPTI-UTUOFQBUSA-N 1 2 242.338 1.535 20 0 BDADLO COc1ccc(C[N@H+](C(C)C)C2COC2)nc1 ZINC000451121539 202357939 /nfs/dbraw/zinc/35/79/39/202357939.db2.gz RYHUKLGWLYIEFP-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+](C(C)C)C2COC2)nc1 ZINC000451121539 202357941 /nfs/dbraw/zinc/35/79/41/202357941.db2.gz RYHUKLGWLYIEFP-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+](C2CC2)C2COC2)ccn1 ZINC000451123740 202359656 /nfs/dbraw/zinc/35/96/56/202359656.db2.gz FGDTXHSQNBIAEP-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cc(C[N@@H+](C2CC2)C2COC2)ccn1 ZINC000451123740 202359658 /nfs/dbraw/zinc/35/96/58/202359658.db2.gz FGDTXHSQNBIAEP-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO FC(F)(F)CC[N@H+](C1CC1)C1COC1 ZINC000451124996 202360418 /nfs/dbraw/zinc/36/04/18/202360418.db2.gz HUADDUKMVPQIKT-UHFFFAOYSA-N 1 2 209.211 1.802 20 0 BDADLO FC(F)(F)CC[N@@H+](C1CC1)C1COC1 ZINC000451124996 202360420 /nfs/dbraw/zinc/36/04/20/202360420.db2.gz HUADDUKMVPQIKT-UHFFFAOYSA-N 1 2 209.211 1.802 20 0 BDADLO C[N@H+](Cc1cnc2ccccn12)C(C)(C)C(N)=O ZINC000451138368 202363157 /nfs/dbraw/zinc/36/31/57/202363157.db2.gz YTCJDBMOTWZZOW-UHFFFAOYSA-N 1 2 246.314 1.030 20 0 BDADLO C[N@@H+](Cc1cnc2ccccn12)C(C)(C)C(N)=O ZINC000451138368 202363160 /nfs/dbraw/zinc/36/31/60/202363160.db2.gz YTCJDBMOTWZZOW-UHFFFAOYSA-N 1 2 246.314 1.030 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](F)C1 ZINC000451180066 202371347 /nfs/dbraw/zinc/37/13/47/202371347.db2.gz BXJZRFPCGZRTDG-DTWKUNHWSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](F)C1 ZINC000451180066 202371349 /nfs/dbraw/zinc/37/13/49/202371349.db2.gz BXJZRFPCGZRTDG-DTWKUNHWSA-N 1 2 203.257 1.372 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000451180077 202371409 /nfs/dbraw/zinc/37/14/09/202371409.db2.gz BZBVECMQWNCPTI-IJLUTSLNSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@@H](F)C2)C1 ZINC000451180077 202371412 /nfs/dbraw/zinc/37/14/12/202371412.db2.gz BZBVECMQWNCPTI-IJLUTSLNSA-N 1 2 242.338 1.535 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451184715 202372037 /nfs/dbraw/zinc/37/20/37/202372037.db2.gz KUOHGMMQGIDCSS-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451184715 202372041 /nfs/dbraw/zinc/37/20/41/202372041.db2.gz KUOHGMMQGIDCSS-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)[nH]1)CC(C)(C)CO ZINC000451249800 202385991 /nfs/dbraw/zinc/38/59/91/202385991.db2.gz FPRRLNWDNZJHOX-UHFFFAOYSA-N 1 2 238.335 1.132 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)[nH]1)CC(C)(C)CO ZINC000451249800 202385994 /nfs/dbraw/zinc/38/59/94/202385994.db2.gz FPRRLNWDNZJHOX-UHFFFAOYSA-N 1 2 238.335 1.132 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)NCc1ccccc1 ZINC000451189344 202373642 /nfs/dbraw/zinc/37/36/42/202373642.db2.gz PFOLQMNAXHSTDK-GFCCVEGCSA-N 1 2 236.290 1.347 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NCc1ccccc1 ZINC000451189344 202373645 /nfs/dbraw/zinc/37/36/45/202373645.db2.gz PFOLQMNAXHSTDK-GFCCVEGCSA-N 1 2 236.290 1.347 20 0 BDADLO CC(C)N(C(=O)C[N@@H+]1CC[C@@H](F)C1)C(C)C ZINC000451192320 202376880 /nfs/dbraw/zinc/37/68/80/202376880.db2.gz SNGFZQTUVPBFRB-LLVKDONJSA-N 1 2 230.327 1.676 20 0 BDADLO CC(C)N(C(=O)C[N@H+]1CC[C@@H](F)C1)C(C)C ZINC000451192320 202376883 /nfs/dbraw/zinc/37/68/83/202376883.db2.gz SNGFZQTUVPBFRB-LLVKDONJSA-N 1 2 230.327 1.676 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)nc1 ZINC000451193825 202376944 /nfs/dbraw/zinc/37/69/44/202376944.db2.gz JVJQPDQXAGLLTP-JTQLQIEISA-N 1 2 238.262 1.412 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](F)C2)nc1 ZINC000451193825 202376946 /nfs/dbraw/zinc/37/69/46/202376946.db2.gz JVJQPDQXAGLLTP-JTQLQIEISA-N 1 2 238.262 1.412 20 0 BDADLO COc1cc[nH+]c(CN2CC[C@H](F)C2)c1OC ZINC000451200471 202379666 /nfs/dbraw/zinc/37/96/66/202379666.db2.gz SUEZFBVAZZOUHZ-VIFPVBQESA-N 1 2 240.278 1.643 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)on1 ZINC000578660891 366623373 /nfs/dbraw/zinc/62/33/73/366623373.db2.gz ZWLVJSUHDWFETG-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO COC(=O)c1cc(CNc2c[nH]c[nH+]2)n(C)c1C ZINC000578827878 366653194 /nfs/dbraw/zinc/65/31/94/366653194.db2.gz XWBFOLZEGMZYQI-UHFFFAOYSA-N 1 2 248.286 1.455 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2ccn(C)n2)[nH+]c1C ZINC000578787071 366649315 /nfs/dbraw/zinc/64/93/15/366649315.db2.gz AWCQUBHCPIKIEZ-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(OC)cc1 ZINC000088588335 359968475 /nfs/dbraw/zinc/96/84/75/359968475.db2.gz JZVNAECQKULNRT-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1F ZINC000088759437 359976862 /nfs/dbraw/zinc/97/68/62/359976862.db2.gz UVFZGBPZEMRCCX-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1F ZINC000088759437 359976866 /nfs/dbraw/zinc/97/68/66/359976866.db2.gz UVFZGBPZEMRCCX-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626840707 360025035 /nfs/dbraw/zinc/02/50/35/360025035.db2.gz FZQWBOIPJNNCDZ-IJLUTSLNSA-N 1 2 247.342 1.669 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@H]2C2CC2)oc1C ZINC000090009066 360054545 /nfs/dbraw/zinc/05/45/45/360054545.db2.gz CHGRLDOINRSCBL-GFCCVEGCSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@H]2C2CC2)oc1C ZINC000090009066 360054549 /nfs/dbraw/zinc/05/45/49/360054549.db2.gz CHGRLDOINRSCBL-GFCCVEGCSA-N 1 2 236.315 1.902 20 0 BDADLO COC(=O)[C@H]([NH2+]CCCF)C(C)(C)C ZINC000138127951 360087992 /nfs/dbraw/zinc/08/79/92/360087992.db2.gz HNVKVGMHZDTTCJ-QMMMGPOBSA-N 1 2 205.273 1.523 20 0 BDADLO Cc1nc(C)c(C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000092175663 360153556 /nfs/dbraw/zinc/15/35/56/360153556.db2.gz KHMHIIRFSQYLLS-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000091810695 360132026 /nfs/dbraw/zinc/13/20/26/360132026.db2.gz DVOGCCRXCYXRLJ-LLVKDONJSA-N 1 2 237.347 1.859 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000091810695 360132030 /nfs/dbraw/zinc/13/20/30/360132030.db2.gz DVOGCCRXCYXRLJ-LLVKDONJSA-N 1 2 237.347 1.859 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000093101732 360218527 /nfs/dbraw/zinc/21/85/27/360218527.db2.gz JJNSUYMCRSVBGN-JQWIXIFHSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000093101732 360218531 /nfs/dbraw/zinc/21/85/31/360218531.db2.gz JJNSUYMCRSVBGN-JQWIXIFHSA-N 1 2 248.326 1.725 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000093316012 360229499 /nfs/dbraw/zinc/22/94/99/360229499.db2.gz NOSHAEWZDFTWRK-SECBINFHSA-N 1 2 239.319 1.976 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000093316012 360229500 /nfs/dbraw/zinc/22/95/00/360229500.db2.gz NOSHAEWZDFTWRK-SECBINFHSA-N 1 2 239.319 1.976 20 0 BDADLO CSC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000131003350 370667596 /nfs/dbraw/zinc/66/75/96/370667596.db2.gz BAPCQNXCVHJWOG-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO CC1(C)CC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000613086518 360347471 /nfs/dbraw/zinc/34/74/71/360347471.db2.gz NWWWMHWCSCJDJR-QMMMGPOBSA-N 1 2 220.272 1.584 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCO[C@H](CC)C1 ZINC000096593454 360350186 /nfs/dbraw/zinc/35/01/86/360350186.db2.gz CMEHQLTXHIXEQG-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCO[C@H](CC)C1 ZINC000096593454 360350190 /nfs/dbraw/zinc/35/01/90/360350190.db2.gz CMEHQLTXHIXEQG-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC1 ZINC000096643140 360351349 /nfs/dbraw/zinc/35/13/49/360351349.db2.gz AVUBWFRNJTYSDV-JTQLQIEISA-N 1 2 219.288 1.068 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000098000543 360386735 /nfs/dbraw/zinc/38/67/35/360386735.db2.gz ZNXVQDSTAVRUES-TUAOUCFPSA-N 1 2 241.331 1.581 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000098000543 360386741 /nfs/dbraw/zinc/38/67/41/360386741.db2.gz ZNXVQDSTAVRUES-TUAOUCFPSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)(F)CNC(=O)CCCn1cc[nH+]c1 ZINC000633724217 360408156 /nfs/dbraw/zinc/40/81/56/360408156.db2.gz NFPJLJXXYVYBDH-UHFFFAOYSA-N 1 2 227.283 1.528 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C1CC1)C1CC1 ZINC000628813795 360675145 /nfs/dbraw/zinc/67/51/45/360675145.db2.gz WINVUORPUDQZED-SECBINFHSA-N 1 2 233.315 1.742 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C1CC1)C1CC1 ZINC000628813795 360675147 /nfs/dbraw/zinc/67/51/47/360675147.db2.gz WINVUORPUDQZED-SECBINFHSA-N 1 2 233.315 1.742 20 0 BDADLO CC[C@@H](NC(=O)C1CSC1)c1[nH]cc[nH+]1 ZINC000632509974 360702972 /nfs/dbraw/zinc/70/29/72/360702972.db2.gz TYXYQAVDRHMLRM-MRVPVSSYSA-N 1 2 225.317 1.340 20 0 BDADLO CC(C)CCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912027 360745062 /nfs/dbraw/zinc/74/50/62/360745062.db2.gz AIFOXMPKBWYLGH-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912027 360745065 /nfs/dbraw/zinc/74/50/65/360745065.db2.gz AIFOXMPKBWYLGH-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916725 360748099 /nfs/dbraw/zinc/74/80/99/360748099.db2.gz FOYSEPXMECVHKE-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916725 360748101 /nfs/dbraw/zinc/74/81/01/360748101.db2.gz FOYSEPXMECVHKE-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C\CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000629032291 360811250 /nfs/dbraw/zinc/81/12/50/360811250.db2.gz KWEAADDRPSSHOR-TYRPZCRBSA-N 1 2 207.277 1.281 20 0 BDADLO C/C=C\CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000629032291 360811254 /nfs/dbraw/zinc/81/12/54/360811254.db2.gz KWEAADDRPSSHOR-TYRPZCRBSA-N 1 2 207.277 1.281 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000629032544 360812761 /nfs/dbraw/zinc/81/27/61/360812761.db2.gz NOAHZFTUVHXDCY-GKQMSVHHSA-N 1 2 219.288 1.207 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000629032544 360812762 /nfs/dbraw/zinc/81/27/62/360812762.db2.gz NOAHZFTUVHXDCY-GKQMSVHHSA-N 1 2 219.288 1.207 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000629034721 360822245 /nfs/dbraw/zinc/82/22/45/360822245.db2.gz NEXHIAUTCQKUSB-MXQLGCADSA-N 1 2 219.288 1.138 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2C[C@@H]2C)[nH+]1 ZINC000629103076 360878854 /nfs/dbraw/zinc/87/88/54/360878854.db2.gz AHXBTURPRXQDCJ-XPUUQOCRSA-N 1 2 209.318 1.946 20 0 BDADLO Cc1cc(C(=O)NCC2COC2)c2[nH+]ccn2c1 ZINC000629202854 360943462 /nfs/dbraw/zinc/94/34/62/360943462.db2.gz SVTCWVWPUDEGOD-UHFFFAOYSA-N 1 2 245.282 1.019 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1C[C@@H]1C ZINC000629359827 361005077 /nfs/dbraw/zinc/00/50/77/361005077.db2.gz CKOBCVWSFJVTOS-YUMQZZPRSA-N 1 2 217.276 1.524 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000631208576 361064973 /nfs/dbraw/zinc/06/49/73/361064973.db2.gz GOGZCNVHMFKRCV-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO CCCCc1cc(NCC[C@@H](O)CC)nc[nH+]1 ZINC000631167393 361078362 /nfs/dbraw/zinc/07/83/62/361078362.db2.gz JEUCSVUDVWDIJO-LBPRGKRZSA-N 1 2 237.347 1.814 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1C[C@H]1C ZINC000171050603 361235372 /nfs/dbraw/zinc/23/53/72/361235372.db2.gz BHZNPXYKPRXFQF-BXKDBHETSA-N 1 2 243.310 1.869 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000640483878 361274458 /nfs/dbraw/zinc/27/44/58/361274458.db2.gz QQFSUOAQRGPKCZ-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO CCOC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578992393 366688750 /nfs/dbraw/zinc/68/87/50/366688750.db2.gz OTYOHHPCZLSBLH-QWRGUYRKSA-N 1 2 239.319 1.375 20 0 BDADLO CCc1cc(NCC(C)(C)CO)nc[nH+]1 ZINC000133504344 491155679 /nfs/dbraw/zinc/15/56/79/491155679.db2.gz VCVDBIKNLAUAJQ-UHFFFAOYSA-N 1 2 209.293 1.469 20 0 BDADLO Cc1nocc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000640479583 361260698 /nfs/dbraw/zinc/26/06/98/361260698.db2.gz DCVHOCXODRGMTC-MRVPVSSYSA-N 1 2 234.259 1.769 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1conc1C ZINC000640486615 361271768 /nfs/dbraw/zinc/27/17/68/361271768.db2.gz SAVHPBXTJJTVJN-NSHDSACASA-N 1 2 237.303 1.796 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1conc1C ZINC000640486615 361271777 /nfs/dbraw/zinc/27/17/77/361271777.db2.gz SAVHPBXTJJTVJN-NSHDSACASA-N 1 2 237.303 1.796 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]cn1C)n1cccc1 ZINC000579047223 366701113 /nfs/dbraw/zinc/70/11/13/366701113.db2.gz BUEJOXMCZSPYTR-LLVKDONJSA-N 1 2 246.314 1.489 20 0 BDADLO CC[C@@](C)([NH2+]CCc1cccnc1)C(=O)OC ZINC000428303864 201007390 /nfs/dbraw/zinc/00/73/90/201007390.db2.gz UUUKYAYAMFSFPC-CYBMUJFWSA-N 1 2 236.315 1.555 20 0 BDADLO c1n[nH]cc1CCNc1cc(NC2CC2)nc[nH+]1 ZINC000579086282 366706055 /nfs/dbraw/zinc/70/60/55/366706055.db2.gz ISZRVHURVHEUGA-UHFFFAOYSA-N 1 2 244.302 1.429 20 0 BDADLO c1n[nH]cc1CCNc1cc(NC2CC2)[nH+]cn1 ZINC000579086282 366706067 /nfs/dbraw/zinc/70/60/67/366706067.db2.gz ISZRVHURVHEUGA-UHFFFAOYSA-N 1 2 244.302 1.429 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1cccc1 ZINC000579129956 366720146 /nfs/dbraw/zinc/72/01/46/366720146.db2.gz UUAHGGGWRHVHFK-NSHDSACASA-N 1 2 246.314 1.206 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCn1cccc1 ZINC000579129956 366720151 /nfs/dbraw/zinc/72/01/51/366720151.db2.gz UUAHGGGWRHVHFK-NSHDSACASA-N 1 2 246.314 1.206 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000579139397 366722741 /nfs/dbraw/zinc/72/27/41/366722741.db2.gz GCIBIWSYKQFTMP-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000579139397 366722747 /nfs/dbraw/zinc/72/27/47/366722747.db2.gz GCIBIWSYKQFTMP-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000579139396 366723345 /nfs/dbraw/zinc/72/33/45/366723345.db2.gz GCIBIWSYKQFTMP-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000579139396 366723349 /nfs/dbraw/zinc/72/33/49/366723349.db2.gz GCIBIWSYKQFTMP-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H](O)[C@@H](NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000579015254 366697122 /nfs/dbraw/zinc/69/71/22/366697122.db2.gz MYMHLFQMAIUPJI-NOZJJQNGSA-N 1 2 249.289 1.761 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000579015254 366697124 /nfs/dbraw/zinc/69/71/24/366697124.db2.gz MYMHLFQMAIUPJI-NOZJJQNGSA-N 1 2 249.289 1.761 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ncn1 ZINC000428408938 201014254 /nfs/dbraw/zinc/01/42/54/201014254.db2.gz ZKXVLGARLFGKKK-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ncn1 ZINC000428408938 201014257 /nfs/dbraw/zinc/01/42/57/201014257.db2.gz ZKXVLGARLFGKKK-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C(F)F)n2)CC[C@H]1O ZINC000428481606 201023775 /nfs/dbraw/zinc/02/37/75/201023775.db2.gz FSMNTNPREHBWAJ-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CC[C@H]1O ZINC000428481606 201023776 /nfs/dbraw/zinc/02/37/76/201023776.db2.gz FSMNTNPREHBWAJ-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO CCOC(=O)CC1([NH2+]CC(=O)OC)CCCC1 ZINC000428949245 201051285 /nfs/dbraw/zinc/05/12/85/201051285.db2.gz XAHCAFMZADLBIY-UHFFFAOYSA-N 1 2 243.303 1.015 20 0 BDADLO CC1(C)C[N@H+](CCCO)C[C@@H](C(F)(F)F)O1 ZINC000428944409 201051036 /nfs/dbraw/zinc/05/10/36/201051036.db2.gz HJONZNJXSBASTM-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[N@@H+](CCCO)C[C@@H](C(F)(F)F)O1 ZINC000428944409 201051039 /nfs/dbraw/zinc/05/10/39/201051039.db2.gz HJONZNJXSBASTM-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1(O)CCC1 ZINC000614274757 363767398 /nfs/dbraw/zinc/76/73/98/363767398.db2.gz BVQLYOYCNQXEOI-UHFFFAOYSA-N 1 2 231.255 1.188 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1CC(=O)C1 ZINC000614276235 363767415 /nfs/dbraw/zinc/76/74/15/363767415.db2.gz RYCJHQJUZQWBOG-UHFFFAOYSA-N 1 2 229.239 1.252 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cnc(C2CC2)o1 ZINC000640668296 361355689 /nfs/dbraw/zinc/35/56/89/361355689.db2.gz FSTAUILVPQUQLM-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cnc(C2CC2)o1 ZINC000640668296 361355691 /nfs/dbraw/zinc/35/56/91/361355691.db2.gz FSTAUILVPQUQLM-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)ncn1 ZINC000428983822 201056369 /nfs/dbraw/zinc/05/63/69/201056369.db2.gz QQDIUILECZRTTB-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@](F)(CO)C2)ncn1 ZINC000428983822 201056372 /nfs/dbraw/zinc/05/63/72/201056372.db2.gz QQDIUILECZRTTB-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1c[nH]cc1C1CC1 ZINC000640670255 361356056 /nfs/dbraw/zinc/35/60/56/361356056.db2.gz YRCVEHPGKKZWMX-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1c[nH]cc1C1CC1 ZINC000640670255 361356061 /nfs/dbraw/zinc/35/60/61/361356061.db2.gz YRCVEHPGKKZWMX-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)n1 ZINC000429156378 201073393 /nfs/dbraw/zinc/07/33/93/201073393.db2.gz QYUZAPZJIWAMDW-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@H](O)C[C@@H]2C)n1 ZINC000429156378 201073397 /nfs/dbraw/zinc/07/33/97/201073397.db2.gz QYUZAPZJIWAMDW-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO COc1ccc[nH+]c1NCc1n[nH]cc1C ZINC000309848212 491157011 /nfs/dbraw/zinc/15/70/11/491157011.db2.gz HUAQMUMKVYCUNQ-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429168993 201076680 /nfs/dbraw/zinc/07/66/80/201076680.db2.gz RPHHDUZEXNCDGT-QWRGUYRKSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429168993 201076682 /nfs/dbraw/zinc/07/66/82/201076682.db2.gz RPHHDUZEXNCDGT-QWRGUYRKSA-N 1 2 238.335 1.204 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429244424 201082339 /nfs/dbraw/zinc/08/23/39/201082339.db2.gz GFYJYXKJLMJEFP-ONGXEEELSA-N 1 2 249.310 1.401 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C2(CO)CCC2)[nH]1 ZINC000429253418 201084960 /nfs/dbraw/zinc/08/49/60/201084960.db2.gz IDCXLHNRHHFQEW-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C2(CO)CCC2)[nH]1 ZINC000429253418 201084963 /nfs/dbraw/zinc/08/49/63/201084963.db2.gz IDCXLHNRHHFQEW-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO C[C@H]1C[C@H]1c1noc(CCc2c[nH]c[nH+]2)n1 ZINC000579258624 366752041 /nfs/dbraw/zinc/75/20/41/366752041.db2.gz UKPXOQJNGGCECL-IONNQARKSA-N 1 2 218.260 1.701 20 0 BDADLO C[C@H]1C[C@H]1c1noc(CCc2c[nH+]c[nH]2)n1 ZINC000579258624 366752043 /nfs/dbraw/zinc/75/20/43/366752043.db2.gz UKPXOQJNGGCECL-IONNQARKSA-N 1 2 218.260 1.701 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429388343 201105528 /nfs/dbraw/zinc/10/55/28/201105528.db2.gz NVMQECFFOYLZDT-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429388343 201105531 /nfs/dbraw/zinc/10/55/31/201105531.db2.gz NVMQECFFOYLZDT-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000429500048 201113261 /nfs/dbraw/zinc/11/32/61/201113261.db2.gz VBUGQINBKBXWAR-TUAOUCFPSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2OC)no1 ZINC000429537756 201111439 /nfs/dbraw/zinc/11/14/39/201111439.db2.gz NIZKWWASDUXJAS-ZJUUUORDSA-N 1 2 239.319 1.679 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CC12CCCC2 ZINC000579368748 366771183 /nfs/dbraw/zinc/77/11/83/366771183.db2.gz RGPJADBGGRMQGA-NSHDSACASA-N 1 2 248.330 1.552 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1C ZINC000429321657 201102110 /nfs/dbraw/zinc/10/21/10/201102110.db2.gz YRRGKFQBSFBGSP-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1C ZINC000429321657 201102112 /nfs/dbraw/zinc/10/21/12/201102112.db2.gz YRRGKFQBSFBGSP-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CCC[N@H+](CC(F)F)CC1(C(=O)OC)CC1 ZINC000448525633 201161085 /nfs/dbraw/zinc/16/10/85/201161085.db2.gz SOYXKQHNQRLELD-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO CCC[N@@H+](CC(F)F)CC1(C(=O)OC)CC1 ZINC000448525633 201161088 /nfs/dbraw/zinc/16/10/88/201161088.db2.gz SOYXKQHNQRLELD-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000629595064 361482432 /nfs/dbraw/zinc/48/24/32/361482432.db2.gz JDFMHFLIFYGTPC-SSDOTTSWSA-N 1 2 229.292 1.054 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000309938670 491158517 /nfs/dbraw/zinc/15/85/17/491158517.db2.gz AYCWIFYRRLYDJA-JOAKQRRISA-N 1 2 221.304 1.778 20 0 BDADLO CCC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC1 ZINC000433957098 201200975 /nfs/dbraw/zinc/20/09/75/201200975.db2.gz ZCLOJUIABFWAHT-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCCOC2)[nH+]1 ZINC000433786449 201192832 /nfs/dbraw/zinc/19/28/32/201192832.db2.gz XLKJREGYXICFML-SNVBAGLBSA-N 1 2 246.314 1.527 20 0 BDADLO CC[C@@H]1COCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000433770481 201193173 /nfs/dbraw/zinc/19/31/73/201193173.db2.gz FQDVAXBIPYACIA-SNVBAGLBSA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cscn2)[nH+]1 ZINC000433784952 201194892 /nfs/dbraw/zinc/19/48/92/201194892.db2.gz GQZAZSHQBIOKHZ-UHFFFAOYSA-N 1 2 245.311 1.757 20 0 BDADLO CCOCC[N@H+](C)Cc1ncnn1C(C)C ZINC000434479488 201222769 /nfs/dbraw/zinc/22/27/69/201222769.db2.gz ZDPGVRGKZWVFKD-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000434479488 201222770 /nfs/dbraw/zinc/22/27/70/201222770.db2.gz ZDPGVRGKZWVFKD-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CN1C[C@@H](Nc2cc3ccccc3c[nH+]2)CC1=O ZINC000631124393 361583882 /nfs/dbraw/zinc/58/38/82/361583882.db2.gz KPTLBTSWDQBGNB-LBPRGKRZSA-N 1 2 241.294 1.877 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000306640402 361589554 /nfs/dbraw/zinc/58/95/54/361589554.db2.gz PLSLYGQAQIRZCK-HTRCEHHLSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000306640402 361589559 /nfs/dbraw/zinc/58/95/59/361589559.db2.gz PLSLYGQAQIRZCK-HTRCEHHLSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccoc1 ZINC000434815895 201243371 /nfs/dbraw/zinc/24/33/71/201243371.db2.gz PJSLJMRFFLEQAU-SECBINFHSA-N 1 2 210.277 1.188 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccoc1 ZINC000434815895 201243374 /nfs/dbraw/zinc/24/33/74/201243374.db2.gz PJSLJMRFFLEQAU-SECBINFHSA-N 1 2 210.277 1.188 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000448554928 201260968 /nfs/dbraw/zinc/26/09/68/201260968.db2.gz JTVCFDBNKBXXAJ-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000448554928 201260972 /nfs/dbraw/zinc/26/09/72/201260972.db2.gz JTVCFDBNKBXXAJ-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO COc1ccc(N[C@@H](C)CC(=O)N(C)C)[nH+]c1 ZINC000310123698 491160439 /nfs/dbraw/zinc/16/04/39/491160439.db2.gz FGAGMHRXXRSIGW-VIFPVBQESA-N 1 2 237.303 1.369 20 0 BDADLO CC(C)c1nc(N[C@@H](C)c2ncn(C)n2)cc[nH+]1 ZINC000436412554 201324808 /nfs/dbraw/zinc/32/48/08/201324808.db2.gz GRSFDVQVBGNNCY-VIFPVBQESA-N 1 2 246.318 1.324 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCNc1cccc[nH+]1 ZINC000438220405 201398979 /nfs/dbraw/zinc/39/89/79/201398979.db2.gz SJBUYASFCFPKTD-UHFFFAOYSA-N 1 2 244.298 1.560 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CC2(CC2)C1 ZINC000614701583 363933041 /nfs/dbraw/zinc/93/30/41/363933041.db2.gz XTZXEUKDQDTZPY-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO CC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409083 364141999 /nfs/dbraw/zinc/14/19/99/364141999.db2.gz BWVOTLYGYFNJSF-QMMMGPOBSA-N 1 2 210.281 1.350 20 0 BDADLO CCOCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000622082751 370699170 /nfs/dbraw/zinc/69/91/70/370699170.db2.gz RFIISEYJAOUJTB-SNVBAGLBSA-N 1 2 239.319 1.507 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cncnc1 ZINC000622083502 370699767 /nfs/dbraw/zinc/69/97/67/370699767.db2.gz FZTYUSZESBNWBU-VIFPVBQESA-N 1 2 245.286 1.184 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ocnc1C ZINC000622084094 370701299 /nfs/dbraw/zinc/70/12/99/370701299.db2.gz RRAXRPJEZLNCLT-SECBINFHSA-N 1 2 248.286 1.690 20 0 BDADLO CCOC1(C)CN(c2cc(CO)cc[nH+]2)C1 ZINC000398938088 364175453 /nfs/dbraw/zinc/17/54/53/364175453.db2.gz JNFBYEIYPQYMEE-UHFFFAOYSA-N 1 2 222.288 1.189 20 0 BDADLO CO[C@H](C(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000615039298 364407365 /nfs/dbraw/zinc/40/73/65/364407365.db2.gz IVZSAHUSNGQSKA-LBPRGKRZSA-N 1 2 249.314 1.040 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC[C@@H](C)OC ZINC000579493317 366832483 /nfs/dbraw/zinc/83/24/83/366832483.db2.gz FEEHPHDONYFRAX-SNVBAGLBSA-N 1 2 239.319 1.334 20 0 BDADLO Cc1nnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)s1 ZINC000615158386 364549068 /nfs/dbraw/zinc/54/90/68/364549068.db2.gz OQIBOOXHXQHMCZ-RXMQYKEDSA-N 1 2 237.288 1.061 20 0 BDADLO C[C@@H](NC(=O)c1cnc2n1CCC2)c1[nH]cc[nH+]1 ZINC000615158451 364549174 /nfs/dbraw/zinc/54/91/74/364549174.db2.gz PGKMBTOTDUMUIO-MRVPVSSYSA-N 1 2 245.286 1.043 20 0 BDADLO Cc1cc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)on1 ZINC000615158729 364552559 /nfs/dbraw/zinc/55/25/59/364552559.db2.gz UDEKXPKEERYPFR-MRVPVSSYSA-N 1 2 234.259 1.126 20 0 BDADLO CCC[C@@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615162279 364556163 /nfs/dbraw/zinc/55/61/63/364556163.db2.gz PTVFQSPZOWEMGY-LDYMZIIASA-N 1 2 225.292 1.138 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCCCO ZINC000630866330 364697343 /nfs/dbraw/zinc/69/73/43/364697343.db2.gz LXPVLWLEWYOQGN-UHFFFAOYSA-N 1 2 224.260 1.191 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615354161 364711672 /nfs/dbraw/zinc/71/16/72/364711672.db2.gz MWWGYYOZCLBLKK-OPRDCNLKSA-N 1 2 239.294 1.388 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)CC[C@H](C)O)on1 ZINC000567011699 364718363 /nfs/dbraw/zinc/71/83/63/364718363.db2.gz RYENWWXIPVYLAQ-QMMMGPOBSA-N 1 2 226.276 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)CC[C@H](C)O)on1 ZINC000567011699 364718368 /nfs/dbraw/zinc/71/83/68/364718368.db2.gz RYENWWXIPVYLAQ-QMMMGPOBSA-N 1 2 226.276 1.080 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000615358714 364725602 /nfs/dbraw/zinc/72/56/02/364725602.db2.gz PHUBJFPXWYDHPH-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000252664390 364756083 /nfs/dbraw/zinc/75/60/83/364756083.db2.gz MNLYQJPAVMALRR-CKEKPRIKSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000252664390 364756086 /nfs/dbraw/zinc/75/60/86/364756086.db2.gz MNLYQJPAVMALRR-CKEKPRIKSA-N 1 2 237.303 1.085 20 0 BDADLO CC(F)(F)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000573504240 364849421 /nfs/dbraw/zinc/84/94/21/364849421.db2.gz MGMJOIRNJNLLJR-UHFFFAOYSA-N 1 2 220.263 1.100 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC1(C)C ZINC000573624444 364878718 /nfs/dbraw/zinc/87/87/18/364878718.db2.gz XLLPBSYUXOEHDZ-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC1(C)C ZINC000573624444 364878723 /nfs/dbraw/zinc/87/87/23/364878723.db2.gz XLLPBSYUXOEHDZ-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CCCOCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573733395 364904702 /nfs/dbraw/zinc/90/47/02/364904702.db2.gz HRZFFRDBGGIZEX-UHFFFAOYSA-N 1 2 225.292 1.188 20 0 BDADLO CO[C@](C)(CNc1nc(C)[nH+]cc1C)C1CC1 ZINC000573695682 364894424 /nfs/dbraw/zinc/89/44/24/364894424.db2.gz CZJOLEFQVARIRE-CYBMUJFWSA-N 1 2 235.331 1.742 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000573948859 364953415 /nfs/dbraw/zinc/95/34/15/364953415.db2.gz XUPVNSDFMNYVKW-JQWIXIFHSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CC[C@H](F)C1)n1cc[nH+]c1 ZINC000574210479 365010986 /nfs/dbraw/zinc/01/09/86/365010986.db2.gz VSJJIADRETYVEJ-VWYCJHECSA-N 1 2 239.294 1.841 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccn(C)c2)[nH+]1 ZINC000574213165 365011669 /nfs/dbraw/zinc/01/16/69/365011669.db2.gz KVWCTJXKVHUFNO-UHFFFAOYSA-N 1 2 246.314 1.722 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H](C)COC ZINC000574292684 365032381 /nfs/dbraw/zinc/03/23/81/365032381.db2.gz QYUVRUIDRFCRNU-SNVBAGLBSA-N 1 2 239.319 1.192 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c(C)n1 ZINC000574582760 365095987 /nfs/dbraw/zinc/09/59/87/365095987.db2.gz NBRXJLCQANTPBA-GFCCVEGCSA-N 1 2 247.342 1.977 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c(C)n1 ZINC000574582764 365097207 /nfs/dbraw/zinc/09/72/07/365097207.db2.gz NBRXJLCQANTPBA-LBPRGKRZSA-N 1 2 247.342 1.977 20 0 BDADLO COc1cnc(NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000574582913 365097229 /nfs/dbraw/zinc/09/72/29/365097229.db2.gz BIDODQYSZXKBRO-SSDOTTSWSA-N 1 2 241.316 1.184 20 0 BDADLO COc1cnc(NC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000574582913 365097230 /nfs/dbraw/zinc/09/72/30/365097230.db2.gz BIDODQYSZXKBRO-SSDOTTSWSA-N 1 2 241.316 1.184 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@H]1CCOC1 ZINC000574650894 365113665 /nfs/dbraw/zinc/11/36/65/365113665.db2.gz DGDQODRWXCVFPI-LLVKDONJSA-N 1 2 221.304 1.566 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000574694902 365123298 /nfs/dbraw/zinc/12/32/98/365123298.db2.gz UAPNMIQNPZPJGI-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO Cc1nnsc1C[N@H+]1CCOCC2(CC2)C1 ZINC000574694902 365123303 /nfs/dbraw/zinc/12/33/03/365123303.db2.gz UAPNMIQNPZPJGI-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO Cc1ccc(CO)cc1NC(=O)Cn1cc[nH+]c1 ZINC000574740565 365132995 /nfs/dbraw/zinc/13/29/95/365132995.db2.gz CXDDPCNGNBWRNU-UHFFFAOYSA-N 1 2 245.282 1.323 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](F)C1 ZINC000574761810 365138246 /nfs/dbraw/zinc/13/82/46/365138246.db2.gz NDTGILZTAFBQMJ-SNVBAGLBSA-N 1 2 240.282 1.027 20 0 BDADLO C[C@@H](CCC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC000575053917 365179205 /nfs/dbraw/zinc/17/92/05/365179205.db2.gz UALRXIUPFWNCLR-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO Cn1cc(NC(=O)c2ccc3[nH+]ccn3c2)cn1 ZINC000068397783 370797528 /nfs/dbraw/zinc/79/75/28/370797528.db2.gz NHCAIPHIZZIFNW-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000443999816 193033463 /nfs/dbraw/zinc/03/34/63/193033463.db2.gz DUHSCGKKTCWMKA-PSASIEDQSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000443999816 193033467 /nfs/dbraw/zinc/03/34/67/193033467.db2.gz DUHSCGKKTCWMKA-PSASIEDQSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000443999819 193033503 /nfs/dbraw/zinc/03/35/03/193033503.db2.gz DUHSCGKKTCWMKA-WPRPVWTQSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000443999819 193033505 /nfs/dbraw/zinc/03/35/05/193033505.db2.gz DUHSCGKKTCWMKA-WPRPVWTQSA-N 1 2 235.335 1.268 20 0 BDADLO COCC[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000444594439 193051616 /nfs/dbraw/zinc/05/16/16/193051616.db2.gz IIVUQORSSYDDGX-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO COCC[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000444594439 193051618 /nfs/dbraw/zinc/05/16/18/193051618.db2.gz IIVUQORSSYDDGX-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO CSC[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000575759626 365356713 /nfs/dbraw/zinc/35/67/13/365356713.db2.gz WDEXZZGOCZUTLA-SECBINFHSA-N 1 2 230.377 1.196 20 0 BDADLO Cc1csc(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000575877006 365402547 /nfs/dbraw/zinc/40/25/47/365402547.db2.gz FNOLBNFHCUJWNA-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000575809620 365370504 /nfs/dbraw/zinc/37/05/04/365370504.db2.gz AKNDASCEXAEWMX-QMMMGPOBSA-N 1 2 235.287 1.130 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nncn2C)CCS1 ZINC000173934682 365454108 /nfs/dbraw/zinc/45/41/08/365454108.db2.gz VCESREXWKXDYPF-VIFPVBQESA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nncn2C)CCS1 ZINC000173934682 365454113 /nfs/dbraw/zinc/45/41/13/365454113.db2.gz VCESREXWKXDYPF-VIFPVBQESA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@]1([NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000380172537 541460431 /nfs/dbraw/zinc/46/04/31/541460431.db2.gz IGTNMQHERURMPG-NSHDSACASA-N 1 2 209.293 1.377 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576203523 365520102 /nfs/dbraw/zinc/52/01/02/365520102.db2.gz QJUKPEDUIDLKNG-OPRDCNLKSA-N 1 2 248.330 1.459 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576203523 365520106 /nfs/dbraw/zinc/52/01/06/365520106.db2.gz QJUKPEDUIDLKNG-OPRDCNLKSA-N 1 2 248.330 1.459 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000182404435 366898427 /nfs/dbraw/zinc/89/84/27/366898427.db2.gz WDDKVTXSSDQWJJ-QMMMGPOBSA-N 1 2 238.360 1.619 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000182404435 366898434 /nfs/dbraw/zinc/89/84/34/366898434.db2.gz WDDKVTXSSDQWJJ-QMMMGPOBSA-N 1 2 238.360 1.619 20 0 BDADLO C[C@H]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000357230214 541488245 /nfs/dbraw/zinc/48/82/45/541488245.db2.gz YTPSSUFILQHTDJ-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000357230214 541488250 /nfs/dbraw/zinc/48/82/50/541488250.db2.gz YTPSSUFILQHTDJ-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO CC(=O)N1CC[C@@H](C[N@H+](C)CC(F)F)C1 ZINC000179446023 541504777 /nfs/dbraw/zinc/50/47/77/541504777.db2.gz QOUBMDRRXKSJEV-VIFPVBQESA-N 1 2 220.263 1.052 20 0 BDADLO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(F)F)C1 ZINC000179446023 541504782 /nfs/dbraw/zinc/50/47/82/541504782.db2.gz QOUBMDRRXKSJEV-VIFPVBQESA-N 1 2 220.263 1.052 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1csnn1 ZINC000579686243 366978890 /nfs/dbraw/zinc/97/88/90/366978890.db2.gz FYFHRGYXEWJBKC-ZETCQYMHSA-N 1 2 247.327 1.801 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCC(=O)C1 ZINC000579836947 367039380 /nfs/dbraw/zinc/03/93/80/367039380.db2.gz OJNAISGCCLBRJT-UWVGGRQHSA-N 1 2 249.314 1.449 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000579848358 367048696 /nfs/dbraw/zinc/04/86/96/367048696.db2.gz YZEUMXPYQPCPRI-QMMMGPOBSA-N 1 2 239.344 1.657 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000579992556 367118036 /nfs/dbraw/zinc/11/80/36/367118036.db2.gz DSKLGFJRCOHCGN-NXEZZACHSA-N 1 2 221.304 1.220 20 0 BDADLO Cc1ccc(CN2C(=O)[C@H](C)[C@@H](C)C2=O)c(C)[nH+]1 ZINC000185375363 367130240 /nfs/dbraw/zinc/13/02/40/367130240.db2.gz IIWYLZOPBLEVND-NXEZZACHSA-N 1 2 246.310 1.839 20 0 BDADLO Cc1ccc(CN2C(=O)C[C@H](C)C2=O)c(C)[nH+]1 ZINC000185377317 367130478 /nfs/dbraw/zinc/13/04/78/367130478.db2.gz JUMPANHBKYYYGO-QMMMGPOBSA-N 1 2 232.283 1.593 20 0 BDADLO COc1ccc[nH+]c1NCC1([S@](C)=O)CC1 ZINC000380202937 367155595 /nfs/dbraw/zinc/15/55/95/367155595.db2.gz ICAAIPVMEFTOLU-INIZCTEOSA-N 1 2 240.328 1.413 20 0 BDADLO CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000581165334 367279596 /nfs/dbraw/zinc/27/95/96/367279596.db2.gz HFUMQJMOTBWNKM-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000581165332 367279843 /nfs/dbraw/zinc/27/98/43/367279843.db2.gz HFUMQJMOTBWNKM-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1ncc(C)o1 ZINC000194430152 367287920 /nfs/dbraw/zinc/28/79/20/367287920.db2.gz ZAJKARZRRVLACT-UHFFFAOYSA-N 1 2 244.258 1.213 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C)[C@H]1C ZINC000380743501 367294747 /nfs/dbraw/zinc/29/47/47/367294747.db2.gz CMTVTPHXIYNEIP-JGVFFNPUSA-N 1 2 222.292 1.302 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C)[C@H]1C ZINC000380743501 367294757 /nfs/dbraw/zinc/29/47/57/367294757.db2.gz CMTVTPHXIYNEIP-JGVFFNPUSA-N 1 2 222.292 1.302 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCCOC3)ccn12 ZINC000581262871 367313146 /nfs/dbraw/zinc/31/31/46/367313146.db2.gz WMUBINBHQFHDNI-UHFFFAOYSA-N 1 2 245.282 1.463 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000195514255 367366695 /nfs/dbraw/zinc/36/66/95/367366695.db2.gz KOEYRXYPRGSMHM-ZDUSSCGKSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000195514255 367366699 /nfs/dbraw/zinc/36/66/99/367366699.db2.gz KOEYRXYPRGSMHM-ZDUSSCGKSA-N 1 2 242.326 1.934 20 0 BDADLO Cc1cnc(CN[C@H]2CCn3cc[nH+]c32)s1 ZINC000382089966 367484193 /nfs/dbraw/zinc/48/41/93/367484193.db2.gz KXYXBUNPVSKFHK-VIFPVBQESA-N 1 2 234.328 1.883 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCn3ccnc32)s1 ZINC000382089966 367484205 /nfs/dbraw/zinc/48/42/05/367484205.db2.gz KXYXBUNPVSKFHK-VIFPVBQESA-N 1 2 234.328 1.883 20 0 BDADLO CCc1cc(N)nc(SCc2ncccn2)[nH+]1 ZINC000581647372 367650017 /nfs/dbraw/zinc/65/00/17/367650017.db2.gz IBDRZYWTFCQGCZ-UHFFFAOYSA-N 1 2 247.327 1.534 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCC1(C)C ZINC000622352768 370862868 /nfs/dbraw/zinc/86/28/68/370862868.db2.gz LLGGZPXWYHCFLA-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCC1(C)C ZINC000622352768 370862870 /nfs/dbraw/zinc/86/28/70/370862870.db2.gz LLGGZPXWYHCFLA-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCn1cc[nH+]c1CNc1ncnc2nc[nH]c21 ZINC000385362120 367821694 /nfs/dbraw/zinc/82/16/94/367821694.db2.gz PKFKSJXHNVEOEW-UHFFFAOYSA-N 1 2 243.274 1.133 20 0 BDADLO CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000023182091 367990523 /nfs/dbraw/zinc/99/05/23/367990523.db2.gz MBMRAHJUUKIROX-GFCCVEGCSA-N 1 2 247.273 1.785 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000075682023 367942549 /nfs/dbraw/zinc/94/25/49/367942549.db2.gz YHPXSISNSQLVBT-GHMZBOCLSA-N 1 2 221.304 1.578 20 0 BDADLO CCN(c1nc(C)[nH+]c2c1CCCC2)[C@H](C)CO ZINC000581979215 368038302 /nfs/dbraw/zinc/03/83/02/368038302.db2.gz AOHJVRJZDTVEIK-SNVBAGLBSA-N 1 2 249.358 1.871 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(C)(C)CCO ZINC000581954290 368019834 /nfs/dbraw/zinc/01/98/34/368019834.db2.gz RCBKTDQFAOLJEZ-UHFFFAOYSA-N 1 2 223.320 1.336 20 0 BDADLO CC(=O)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615576370 368110955 /nfs/dbraw/zinc/11/09/55/368110955.db2.gz ATUVRZKUMCLVNY-NSHDSACASA-N 1 2 249.314 1.312 20 0 BDADLO C[C@@H](CC(=O)NCC(F)(F)F)n1cc[nH+]c1 ZINC000582006491 368129794 /nfs/dbraw/zinc/12/97/94/368129794.db2.gz LDSGGHOTPOIBIH-ZETCQYMHSA-N 1 2 235.209 1.513 20 0 BDADLO Cc1cc(CNc2c[nH+]cc(N(C)C)c2)nn1C ZINC000630956947 368152669 /nfs/dbraw/zinc/15/26/69/368152669.db2.gz YLHIAXRLOMQRTB-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](F)C1 ZINC000615746922 368235854 /nfs/dbraw/zinc/23/58/54/368235854.db2.gz IWJUPJYWQLXBTH-IVZWLZJFSA-N 1 2 237.278 1.094 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000029594266 368243746 /nfs/dbraw/zinc/24/37/46/368243746.db2.gz GFUMQQQZZXYXJH-LBPRGKRZSA-N 1 2 243.310 1.803 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@H](C)[C@@H](C)O1 ZINC000446077915 201671190 /nfs/dbraw/zinc/67/11/90/201671190.db2.gz GHUOJQFSCBEIQV-GMTAPVOTSA-N 1 2 240.347 1.105 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@H](C)[C@@H](C)O1 ZINC000446077915 201671193 /nfs/dbraw/zinc/67/11/93/201671193.db2.gz GHUOJQFSCBEIQV-GMTAPVOTSA-N 1 2 240.347 1.105 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC1 ZINC000046289613 368442936 /nfs/dbraw/zinc/44/29/36/368442936.db2.gz XASANLROFFVPEH-UHFFFAOYSA-N 1 2 234.303 1.063 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)Cc1ccco1 ZINC000057876214 368503079 /nfs/dbraw/zinc/50/30/79/368503079.db2.gz WKIYODWIOYXFJE-UHFFFAOYSA-N 1 2 224.304 1.484 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)Cc1ccco1 ZINC000057876214 368503084 /nfs/dbraw/zinc/50/30/84/368503084.db2.gz WKIYODWIOYXFJE-UHFFFAOYSA-N 1 2 224.304 1.484 20 0 BDADLO CC(C)n1nnnc1SCc1[nH+]ccn1C ZINC000059337934 368531267 /nfs/dbraw/zinc/53/12/67/368531267.db2.gz OSDUTECSJNNTSM-UHFFFAOYSA-N 1 2 238.320 1.280 20 0 BDADLO CS[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000063705013 368592487 /nfs/dbraw/zinc/59/24/87/368592487.db2.gz HAECOKBLWKNKQL-VIFPVBQESA-N 1 2 239.344 1.361 20 0 BDADLO CCCCNC(=O)C[N@H+](C)CCC(F)(F)F ZINC000064635350 368610355 /nfs/dbraw/zinc/61/03/55/368610355.db2.gz VEVOGECXWORZGN-UHFFFAOYSA-N 1 2 240.269 1.787 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000064635350 368610359 /nfs/dbraw/zinc/61/03/59/368610359.db2.gz VEVOGECXWORZGN-UHFFFAOYSA-N 1 2 240.269 1.787 20 0 BDADLO CCCC[N@H+](CCOC)Cc1nncn1C ZINC000109333390 368623281 /nfs/dbraw/zinc/62/32/81/368623281.db2.gz OMJLBELKROVXPG-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1nncn1C ZINC000109333390 368623285 /nfs/dbraw/zinc/62/32/85/368623285.db2.gz OMJLBELKROVXPG-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO CC[C@H](OC)C(=O)NCCNc1cccc[nH+]1 ZINC000066043983 368639652 /nfs/dbraw/zinc/63/96/52/368639652.db2.gz JLINDNDGASZTMI-JTQLQIEISA-N 1 2 237.303 1.035 20 0 BDADLO CSC[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000066822983 368663385 /nfs/dbraw/zinc/66/33/85/368663385.db2.gz ZSMZMTKLNCCBFA-VHSXEESVSA-N 1 2 241.360 1.387 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)CC(C)(C)O1 ZINC000068477598 368727320 /nfs/dbraw/zinc/72/73/20/368727320.db2.gz PJYVZJWZUADRAV-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)CC(C)(C)O1 ZINC000068477598 368727325 /nfs/dbraw/zinc/72/73/25/368727325.db2.gz PJYVZJWZUADRAV-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)c1ccon1 ZINC000067288117 368683819 /nfs/dbraw/zinc/68/38/19/368683819.db2.gz FVEMZYMXAYOQIP-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(CCO)CC1 ZINC000567179333 326129595 /nfs/dbraw/zinc/12/95/95/326129595.db2.gz DMMGYNUOVAVNKF-UHFFFAOYSA-N 1 2 235.331 1.692 20 0 BDADLO CC1(C(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000072619693 368775432 /nfs/dbraw/zinc/77/54/32/368775432.db2.gz QFWLSWRIKZFANL-UHFFFAOYSA-N 1 2 240.347 1.015 20 0 BDADLO CC1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000073494430 368807807 /nfs/dbraw/zinc/80/78/07/368807807.db2.gz FWRUOPBCTRXPOW-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1cc(NC(=O)Cc2ccon2)cc[nH+]1 ZINC000073610128 368810756 /nfs/dbraw/zinc/81/07/56/368810756.db2.gz OTVRPXPTEWWHDK-UHFFFAOYSA-N 1 2 217.228 1.559 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000074219332 368833989 /nfs/dbraw/zinc/83/39/89/368833989.db2.gz IJQWXAIVJHWJNC-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)ccn1 ZINC000072709700 368778125 /nfs/dbraw/zinc/77/81/25/368778125.db2.gz BNXSFYFDIBJCAU-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cn[nH]c1 ZINC000619612342 368882901 /nfs/dbraw/zinc/88/29/01/368882901.db2.gz AHJNSTQOCXOSBL-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cn[nH]c1 ZINC000619612342 368882905 /nfs/dbraw/zinc/88/29/05/368882905.db2.gz AHJNSTQOCXOSBL-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)CC[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000623646619 368968533 /nfs/dbraw/zinc/96/85/33/368968533.db2.gz KPBLXIZFGCTRCG-NSHDSACASA-N 1 2 211.309 1.296 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccn(CC)c1 ZINC000616141602 368979508 /nfs/dbraw/zinc/97/95/08/368979508.db2.gz BFJFHKADSPNTIE-GFCCVEGCSA-N 1 2 238.331 1.891 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccn(CC)c1 ZINC000616141602 368979512 /nfs/dbraw/zinc/97/95/12/368979512.db2.gz BFJFHKADSPNTIE-GFCCVEGCSA-N 1 2 238.331 1.891 20 0 BDADLO CCC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000616194127 369024395 /nfs/dbraw/zinc/02/43/95/369024395.db2.gz ZONBLGOILWHDSZ-LLVKDONJSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C1CCC1 ZINC000457448899 203064425 /nfs/dbraw/zinc/06/44/25/203064425.db2.gz XQKADWNTTIUORY-GHMZBOCLSA-N 1 2 235.331 1.824 20 0 BDADLO CCC(C)(C)OCC(=O)NCc1[nH]c[nH+]c1C ZINC000457616623 203082373 /nfs/dbraw/zinc/08/23/73/203082373.db2.gz PRPOLSSFNMVZAI-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855327 203113319 /nfs/dbraw/zinc/11/33/19/203113319.db2.gz KWWVZXZMFIOKQW-WDEREUQCSA-N 1 2 237.347 1.761 20 0 BDADLO C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CC1(F)F ZINC000618606998 369182861 /nfs/dbraw/zinc/18/28/61/369182861.db2.gz UTIGDJXEZWOKBC-JTQLQIEISA-N 1 2 243.257 1.435 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000618503970 369160992 /nfs/dbraw/zinc/16/09/92/369160992.db2.gz BIQQKTOQDZIESS-VWYCJHECSA-N 1 2 233.315 1.884 20 0 BDADLO CC[C@H](COC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567504952 326206674 /nfs/dbraw/zinc/20/66/74/326206674.db2.gz HKOMIFSPMIWXBG-GHMZBOCLSA-N 1 2 239.319 1.375 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000458125100 203136685 /nfs/dbraw/zinc/13/66/85/203136685.db2.gz DFOFQXSQCUQEMB-WDEREUQCSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@@]1(NC(=O)CCn2cc[nH+]c2)CC=CCC1 ZINC000458318081 203159528 /nfs/dbraw/zinc/15/95/28/203159528.db2.gz QWZPNKUUHWXLDM-CYBMUJFWSA-N 1 2 233.315 1.888 20 0 BDADLO CC[C@H](O)CC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619016087 369258076 /nfs/dbraw/zinc/25/80/76/369258076.db2.gz VPFYMASYFFXMMH-JTQLQIEISA-N 1 2 247.298 1.742 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[C@H]2C1 ZINC000619359522 369323997 /nfs/dbraw/zinc/32/39/97/369323997.db2.gz ZXIBGQQJNXCGCS-QWRGUYRKSA-N 1 2 219.288 1.142 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000623679941 369382070 /nfs/dbraw/zinc/38/20/70/369382070.db2.gz QHOUIKSZITZPRK-UHFFFAOYSA-N 1 2 242.269 1.920 20 0 BDADLO COC1C[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000459583449 203307093 /nfs/dbraw/zinc/30/70/93/203307093.db2.gz PPVNVSAFPBYHDF-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO OCCC1C[NH+](Cc2c(F)cccc2F)C1 ZINC000459584379 203307460 /nfs/dbraw/zinc/30/74/60/203307460.db2.gz AOMXXORDAKDGKR-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO COC1C[NH+](Cc2ccc(F)cc2C)C1 ZINC000459584730 203307947 /nfs/dbraw/zinc/30/79/47/203307947.db2.gz QZWIGBHPFNYCOJ-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO COC1(C)C[NH+](Cc2cn(C(C)C)nc2C)C1 ZINC000459593663 203310418 /nfs/dbraw/zinc/31/04/18/203310418.db2.gz VVMKSAJEMZSKTP-UHFFFAOYSA-N 1 2 237.347 1.993 20 0 BDADLO CC[C@H](C)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619433685 369353159 /nfs/dbraw/zinc/35/31/59/369353159.db2.gz LGGVORRSDRSSFZ-GUBZILKMSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619433685 369353162 /nfs/dbraw/zinc/35/31/62/369353162.db2.gz LGGVORRSDRSSFZ-GUBZILKMSA-N 1 2 217.284 1.618 20 0 BDADLO COC1C[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000459572893 203304505 /nfs/dbraw/zinc/30/45/05/203304505.db2.gz AXGIGYAQJMRWMK-UHFFFAOYSA-N 1 2 223.320 1.538 20 0 BDADLO COC1C[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000459574212 203305226 /nfs/dbraw/zinc/30/52/26/203305226.db2.gz CXMZDKLUWPBGAS-UHFFFAOYSA-N 1 2 249.339 1.969 20 0 BDADLO CCOC1(C)CN(Cc2c[nH+]cn2C)C1 ZINC000459613616 203315921 /nfs/dbraw/zinc/31/59/21/203315921.db2.gz CTQOKZHXNXUIRL-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cccc1C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC000459625621 203322512 /nfs/dbraw/zinc/32/25/12/203322512.db2.gz FBUSUSHOFOYPEM-UHFFFAOYSA-N 1 2 247.342 1.126 20 0 BDADLO COCCC1(C)C[NH+](Cc2cc(C)on2)C1 ZINC000459629819 203323986 /nfs/dbraw/zinc/32/39/86/203323986.db2.gz FGOIODNEFSCLQZ-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cn1nncc1C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000459635584 203326415 /nfs/dbraw/zinc/32/64/15/203326415.db2.gz JNGMJXXFNNKMCT-UHFFFAOYSA-N 1 2 248.252 1.589 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCSC ZINC000619514768 369456151 /nfs/dbraw/zinc/45/61/51/369456151.db2.gz ODRXZSVUKYRBBN-IUCAKERBSA-N 1 2 235.324 1.325 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCSC ZINC000619514768 369456154 /nfs/dbraw/zinc/45/61/54/369456154.db2.gz ODRXZSVUKYRBBN-IUCAKERBSA-N 1 2 235.324 1.325 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC(C)(C)OC ZINC000619513566 369456253 /nfs/dbraw/zinc/45/62/53/369456253.db2.gz QLVMAQHIIMMJQQ-UWVGGRQHSA-N 1 2 247.310 1.387 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC(C)(C)OC ZINC000619513566 369456257 /nfs/dbraw/zinc/45/62/57/369456257.db2.gz QLVMAQHIIMMJQQ-UWVGGRQHSA-N 1 2 247.310 1.387 20 0 BDADLO CCOC(=O)CCNc1cc(C2CC2)[nH+]cn1 ZINC000260132478 370976998 /nfs/dbraw/zinc/97/69/98/370976998.db2.gz DJGOOGIWXNGVAR-UHFFFAOYSA-N 1 2 235.287 1.719 20 0 BDADLO COC[C@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459778884 203365387 /nfs/dbraw/zinc/36/53/87/203365387.db2.gz ZZYSYAGEBMFVEG-GFCCVEGCSA-N 1 2 241.718 1.663 20 0 BDADLO COC[C@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459778884 203365390 /nfs/dbraw/zinc/36/53/90/203365390.db2.gz ZZYSYAGEBMFVEG-GFCCVEGCSA-N 1 2 241.718 1.663 20 0 BDADLO COC[C@H](C)Nc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631034631 370983054 /nfs/dbraw/zinc/98/30/54/370983054.db2.gz POGVVHJTGXCEQZ-VIFPVBQESA-N 1 2 248.330 1.950 20 0 BDADLO C[C@@H](NC(=O)c1ccco1)c1[nH+]ccn1C ZINC000082277730 370979215 /nfs/dbraw/zinc/97/92/15/370979215.db2.gz MBQBFDPUWKORIK-MRVPVSSYSA-N 1 2 219.244 1.504 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1=CCCC1 ZINC000620005451 369660889 /nfs/dbraw/zinc/66/08/89/369660889.db2.gz CFUCKMJRCUZJIY-UHFFFAOYSA-N 1 2 205.261 1.110 20 0 BDADLO O=C(NCC1=CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000620007647 369663644 /nfs/dbraw/zinc/66/36/44/369663644.db2.gz BKBCPEZQEOIODK-LBPRGKRZSA-N 1 2 245.326 1.672 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]2(C)CC2(C)C)c[nH+]1 ZINC000620080467 369717772 /nfs/dbraw/zinc/71/77/72/369717772.db2.gz ORUJBEULZLLZHN-NSHDSACASA-N 1 2 207.277 1.637 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000620074125 369707416 /nfs/dbraw/zinc/70/74/16/369707416.db2.gz BJUYVNLVBSJICK-IINYFYTJSA-N 1 2 247.342 1.750 20 0 BDADLO CCc1ocnc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620600971 369950452 /nfs/dbraw/zinc/95/04/52/369950452.db2.gz SMYVSLAEODKDFL-MRVPVSSYSA-N 1 2 248.286 1.462 20 0 BDADLO CCc1ocnc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620600972 369950638 /nfs/dbraw/zinc/95/06/38/369950638.db2.gz SMYVSLAEODKDFL-QMMMGPOBSA-N 1 2 248.286 1.462 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605243 369953107 /nfs/dbraw/zinc/95/31/07/369953107.db2.gz ZHSOHAVBYGDJSQ-NXEZZACHSA-N 1 2 239.319 1.412 20 0 BDADLO CO[C@H](C)CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604447 369953282 /nfs/dbraw/zinc/95/32/82/369953282.db2.gz RCQXYSTYKPHHFK-ZJUUUORDSA-N 1 2 239.319 1.412 20 0 BDADLO CC[C@](C)(OC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605547 369954246 /nfs/dbraw/zinc/95/42/46/369954246.db2.gz GMMKEQRPJFDVIN-CABZTGNLSA-N 1 2 239.319 1.412 20 0 BDADLO Cc1nc(C(=O)N[C@H](C)c2[nH+]ccn2C)c(C)o1 ZINC000620607528 369955708 /nfs/dbraw/zinc/95/57/08/369955708.db2.gz HPWCLLSMXCXIDR-SSDOTTSWSA-N 1 2 248.286 1.516 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@@H](O)C(C)C)cc2[nH+]1 ZINC000620650685 369972360 /nfs/dbraw/zinc/97/23/60/369972360.db2.gz CAAOKAQEZHUKCN-LBPRGKRZSA-N 1 2 247.298 1.598 20 0 BDADLO Cc1cn2ccc(NC(=O)C(C)(C)O)cc2[nH+]1 ZINC000620651021 369972783 /nfs/dbraw/zinc/97/27/83/369972783.db2.gz IEWNUOGPRJZMMP-UHFFFAOYSA-N 1 2 233.271 1.352 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@@H]3CCOC3)cc2[nH+]1 ZINC000620649154 369972803 /nfs/dbraw/zinc/97/28/03/369972803.db2.gz VJHCYDVHAODDKQ-SNVBAGLBSA-N 1 2 245.282 1.618 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594891 369946642 /nfs/dbraw/zinc/94/66/42/369946642.db2.gz IDCPCVFGIXMJKD-ZJUUUORDSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C)(C)C1 ZINC000620736145 369983860 /nfs/dbraw/zinc/98/38/60/369983860.db2.gz TXOPYOCIZNXBKJ-SECBINFHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C)(C)C1 ZINC000620736145 369983865 /nfs/dbraw/zinc/98/38/65/369983865.db2.gz TXOPYOCIZNXBKJ-SECBINFHSA-N 1 2 235.331 1.893 20 0 BDADLO CC1(C)CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000620739712 369986299 /nfs/dbraw/zinc/98/62/99/369986299.db2.gz SOHSCFWBNVTORM-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000620739712 369986305 /nfs/dbraw/zinc/98/63/05/369986305.db2.gz SOHSCFWBNVTORM-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1cnc(C[N@H+](CC(N)=O)C2CCCC2)o1 ZINC000075714854 370167592 /nfs/dbraw/zinc/16/75/92/370167592.db2.gz BCQWNZVBXOSTTH-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cnc(C[N@@H+](CC(N)=O)C2CCCC2)o1 ZINC000075714854 370167596 /nfs/dbraw/zinc/16/75/96/370167596.db2.gz BCQWNZVBXOSTTH-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000075685481 370167709 /nfs/dbraw/zinc/16/77/09/370167709.db2.gz NPTZIXDFGFKHFP-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000075685481 370167713 /nfs/dbraw/zinc/16/77/13/370167713.db2.gz NPTZIXDFGFKHFP-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO Clc1cncc(C[N@@H+]2CCn3ccnc3C2)c1 ZINC000621253887 370186229 /nfs/dbraw/zinc/18/62/29/370186229.db2.gz ZKYGFIAFOHKFPF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cncc(C[N@H+]2CCn3ccnc3C2)c1 ZINC000621253887 370186234 /nfs/dbraw/zinc/18/62/34/370186234.db2.gz ZKYGFIAFOHKFPF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO CCc1noc(C[N@@H+]2CCS[C@@H](CC)C2)n1 ZINC000076072937 370210689 /nfs/dbraw/zinc/21/06/89/370210689.db2.gz MPCLGCHCBZOUKX-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCc1noc(C[N@H+]2CCS[C@@H](CC)C2)n1 ZINC000076072937 370210696 /nfs/dbraw/zinc/21/06/96/370210696.db2.gz MPCLGCHCBZOUKX-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccon1 ZINC000621278860 370210939 /nfs/dbraw/zinc/21/09/39/370210939.db2.gz LQELJOHKTOVOHZ-SECBINFHSA-N 1 2 249.270 1.321 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccon1 ZINC000621278860 370210942 /nfs/dbraw/zinc/21/09/42/370210942.db2.gz LQELJOHKTOVOHZ-SECBINFHSA-N 1 2 249.270 1.321 20 0 BDADLO Cc1nccnc1C[NH2+][C@H](CO)c1ccsc1 ZINC000621345768 370280431 /nfs/dbraw/zinc/28/04/31/370280431.db2.gz WDGARWUKKMZPJI-GFCCVEGCSA-N 1 2 249.339 1.670 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nc(CC)no2)C1 ZINC000076406096 370281003 /nfs/dbraw/zinc/28/10/03/370281003.db2.gz KRNSLOHMSMCEBY-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nc(CC)no2)C1 ZINC000076406096 370281006 /nfs/dbraw/zinc/28/10/06/370281006.db2.gz KRNSLOHMSMCEBY-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000621510516 370374072 /nfs/dbraw/zinc/37/40/72/370374072.db2.gz FIAVGTGKYPEJCW-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)C1CCC1 ZINC000315705160 326337642 /nfs/dbraw/zinc/33/76/42/326337642.db2.gz PNZHIGBMPBUETB-SNVBAGLBSA-N 1 2 222.288 1.663 20 0 BDADLO CNC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401005 370339186 /nfs/dbraw/zinc/33/91/86/370339186.db2.gz ZCCHLBBYCKWOCE-SNVBAGLBSA-N 1 2 234.290 1.536 20 0 BDADLO CCc1noc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000076744918 370349569 /nfs/dbraw/zinc/34/95/69/370349569.db2.gz XPWZJNSVIBBLHU-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000076744918 370349570 /nfs/dbraw/zinc/34/95/70/370349570.db2.gz XPWZJNSVIBBLHU-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000621724587 370477447 /nfs/dbraw/zinc/47/74/47/370477447.db2.gz NKVRYXBVYUMCPI-MVWJERBFSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000621724587 370477451 /nfs/dbraw/zinc/47/74/51/370477451.db2.gz NKVRYXBVYUMCPI-MVWJERBFSA-N 1 2 235.331 1.783 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc(O)cc1 ZINC000094687842 370447213 /nfs/dbraw/zinc/44/72/13/370447213.db2.gz ABZUOQUGRMCEMT-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc(O)cc1 ZINC000094687842 370447221 /nfs/dbraw/zinc/44/72/21/370447221.db2.gz ABZUOQUGRMCEMT-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO COC[C@@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621730887 370484809 /nfs/dbraw/zinc/48/48/09/370484809.db2.gz XXWMDUQMXXKKQT-VIFPVBQESA-N 1 2 239.319 1.086 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000621731922 370486250 /nfs/dbraw/zinc/48/62/50/370486250.db2.gz GDRVCZLTFHPTHM-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000621731922 370486252 /nfs/dbraw/zinc/48/62/52/370486252.db2.gz GDRVCZLTFHPTHM-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO CCc1cc(N[C@@H](CCO)C(C)C)nc[nH+]1 ZINC000078447212 370564502 /nfs/dbraw/zinc/56/45/02/370564502.db2.gz WNVRXJTYHPRMOZ-NSHDSACASA-N 1 2 223.320 1.858 20 0 BDADLO CCc1cc(N[C@@H]2CCSC2)nc[nH+]1 ZINC000078501748 370570769 /nfs/dbraw/zinc/57/07/69/370570769.db2.gz ZWTUMMIQZWJWNY-SECBINFHSA-N 1 2 209.318 1.956 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)c(C)c[nH+]1 ZINC000568497266 326359719 /nfs/dbraw/zinc/35/97/19/326359719.db2.gz NKLQFHZOWNBPPN-SCZZXKLOSA-N 1 2 240.253 1.960 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000078679893 370589099 /nfs/dbraw/zinc/58/90/99/370589099.db2.gz IGKFAOIHBCVIQC-SSDOTTSWSA-N 1 2 220.276 1.865 20 0 BDADLO CC[C@H](NC(=O)c1[nH]c(C)nc1C)c1[nH]cc[nH+]1 ZINC000621956240 370619908 /nfs/dbraw/zinc/61/99/08/370619908.db2.gz DEHPBTFFKRKDOY-VIFPVBQESA-N 1 2 247.302 1.631 20 0 BDADLO CC(C)(C(=O)N1CCCCCO1)c1c[nH+]c[nH]1 ZINC000621970080 370628502 /nfs/dbraw/zinc/62/85/02/370628502.db2.gz QMOISSXISQPCJN-UHFFFAOYSA-N 1 2 237.303 1.631 20 0 BDADLO CCOCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000622683079 371061233 /nfs/dbraw/zinc/06/12/33/371061233.db2.gz AZKGBLNRUOMXHO-UHFFFAOYSA-N 1 2 243.332 1.180 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CCCC2)c1 ZINC000622685619 371062274 /nfs/dbraw/zinc/06/22/74/371062274.db2.gz AZEGGXJAESTOSL-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cn1 ZINC000622685982 371064349 /nfs/dbraw/zinc/06/43/49/371064349.db2.gz UFPWNRDPBGMLKM-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CSCC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000154615959 371134791 /nfs/dbraw/zinc/13/47/91/371134791.db2.gz FOGJKVQHYQUHMJ-VIFPVBQESA-N 1 2 227.333 1.311 20 0 BDADLO COc1ccc[nH+]c1NCC(=O)NC1CCCC1 ZINC000623908889 371151869 /nfs/dbraw/zinc/15/18/69/371151869.db2.gz VNWSFAZAXPRPAX-UHFFFAOYSA-N 1 2 249.314 1.561 20 0 BDADLO C[C@H](O)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569250866 326397747 /nfs/dbraw/zinc/39/77/47/326397747.db2.gz UGZVHGBDMYBJAN-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO CCc1cc(CN[C@@H](C)c2[nH]cc[nH+]2)on1 ZINC000390571720 371216589 /nfs/dbraw/zinc/21/65/89/371216589.db2.gz VELFIZZEGFPZCM-QMMMGPOBSA-N 1 2 220.276 1.811 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2ncc[nH]2)on1 ZINC000390571720 371216593 /nfs/dbraw/zinc/21/65/93/371216593.db2.gz VELFIZZEGFPZCM-QMMMGPOBSA-N 1 2 220.276 1.811 20 0 BDADLO CCCCc1cc(NCc2cnn(C)c2)nc[nH+]1 ZINC000631070528 371309218 /nfs/dbraw/zinc/30/92/18/371309218.db2.gz BQGKOZAUUOWDNE-UHFFFAOYSA-N 1 2 245.330 1.587 20 0 BDADLO C[C@@H](Nc1cnn(CCF)c1)c1[nH+]ccn1C ZINC000624126387 371326932 /nfs/dbraw/zinc/32/69/32/371326932.db2.gz GGGZUISDRKAYBQ-SECBINFHSA-N 1 2 237.282 1.759 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)C12CCC(CC1)C2 ZINC000627370198 371588920 /nfs/dbraw/zinc/58/89/20/371588920.db2.gz QLMBKXAHWUTMLA-UHFFFAOYSA-N 1 2 245.326 1.875 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)C12CCC(CC1)C2 ZINC000627370198 371588927 /nfs/dbraw/zinc/58/89/27/371588927.db2.gz QLMBKXAHWUTMLA-UHFFFAOYSA-N 1 2 245.326 1.875 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627508868 371669703 /nfs/dbraw/zinc/66/97/03/371669703.db2.gz ARKWQIONHZSVES-NEPJUHHUSA-N 1 2 247.342 1.765 20 0 BDADLO C[C@@H]1OCC[C@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000631204164 372235043 /nfs/dbraw/zinc/23/50/43/372235043.db2.gz YXEFDHGMZWKJTE-JOYOIKCWSA-N 1 2 221.304 1.737 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000631131291 372205059 /nfs/dbraw/zinc/20/50/59/372205059.db2.gz UYFLFNVTPMCVCC-GMTAPVOTSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)[nH+]1 ZINC000631131291 372205065 /nfs/dbraw/zinc/20/50/65/372205065.db2.gz UYFLFNVTPMCVCC-GMTAPVOTSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N2CC[C@@H]2C(F)(F)F)cc[nH+]1 ZINC000631343733 372302957 /nfs/dbraw/zinc/30/29/57/372302957.db2.gz OFMLMEVRZBXASE-SSDOTTSWSA-N 1 2 217.194 1.926 20 0 BDADLO CCCCc1cc(NCC2=CCCOC2)nc[nH+]1 ZINC000631285042 372278079 /nfs/dbraw/zinc/27/80/79/372278079.db2.gz MUHUPFIEKBWZHX-UHFFFAOYSA-N 1 2 247.342 2.000 20 0 BDADLO O=C(CC1CSC1)N1CC(n2cc[nH+]c2)C1 ZINC000631301130 372285279 /nfs/dbraw/zinc/28/52/79/372285279.db2.gz FKBDUZBAIDXNRO-UHFFFAOYSA-N 1 2 237.328 1.020 20 0 BDADLO CCCCc1cc(NC[C@@H](O)C2CCC2)nc[nH+]1 ZINC000631300470 372285403 /nfs/dbraw/zinc/28/54/03/372285403.db2.gz ATVMQCWAKLUQBF-CYBMUJFWSA-N 1 2 249.358 1.814 20 0 BDADLO CCC[C@@H](CCO)Nc1nc[nH+]c(N)c1OC ZINC000631425303 372355325 /nfs/dbraw/zinc/35/53/25/372355325.db2.gz BKEOSUJJCZYMFI-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BDADLO CCC[C@@H](CCO)Nc1[nH+]cnc(N)c1OC ZINC000631425303 372355334 /nfs/dbraw/zinc/35/53/34/372355334.db2.gz BKEOSUJJCZYMFI-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BDADLO Cc1cc(N2CCO[C@@H](C(F)F)CC2)nc[nH+]1 ZINC000631480535 372385847 /nfs/dbraw/zinc/38/58/47/372385847.db2.gz BUBVQWWLSZRBRZ-SECBINFHSA-N 1 2 243.257 1.645 20 0 BDADLO CN(c1cccc[nH+]1)[C@H]1CCCCN(C)C1=O ZINC000631479704 372386234 /nfs/dbraw/zinc/38/62/34/372386234.db2.gz WOVHKNVBTUNWMU-NSHDSACASA-N 1 2 233.315 1.529 20 0 BDADLO Cc1nocc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000631440600 372365731 /nfs/dbraw/zinc/36/57/31/372365731.db2.gz TUFNZIDQZZBKDE-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1ccncc1 ZINC000631594133 372447341 /nfs/dbraw/zinc/44/73/41/372447341.db2.gz ITLLFVUNFHHCIM-VIFPVBQESA-N 1 2 244.298 1.533 20 0 BDADLO OCC(F)(F)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631617744 372463516 /nfs/dbraw/zinc/46/35/16/372463516.db2.gz IOVOKJJCLLPQQV-NSHDSACASA-N 1 2 242.269 1.676 20 0 BDADLO CN(C)c1cccc(Cn2cc[nH+]c2)c1 ZINC000140479341 372693483 /nfs/dbraw/zinc/69/34/83/372693483.db2.gz AKDKZFAZKBCCKH-UHFFFAOYSA-N 1 2 201.273 1.997 20 0 BDADLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000171669691 372727362 /nfs/dbraw/zinc/72/73/62/372727362.db2.gz STYIYIRRWBOVFQ-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171669691 372727365 /nfs/dbraw/zinc/72/73/65/372727365.db2.gz STYIYIRRWBOVFQ-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CCC(C)(C)N(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000632142415 372778617 /nfs/dbraw/zinc/77/86/17/372778617.db2.gz BYMVNXHSWABHKM-UHFFFAOYSA-N 1 2 224.308 1.740 20 0 BDADLO C[NH+](C)Cc1nc([C@H]2Cc3ccc(F)cc32)no1 ZINC000632218939 372812862 /nfs/dbraw/zinc/81/28/62/372812862.db2.gz JSCOFZHDLQCOQB-NSHDSACASA-N 1 2 247.273 1.958 20 0 BDADLO FC(F)CN1CCC(n2cc[nH+]c2)CC1 ZINC000171994547 372853037 /nfs/dbraw/zinc/85/30/37/372853037.db2.gz GGNCHKZXRRWROZ-UHFFFAOYSA-N 1 2 215.247 1.785 20 0 BDADLO O=C(C[C@@H]1C=CCC1)NC1=[NH+]CCS1 ZINC000046551876 182013588 /nfs/dbraw/zinc/01/35/88/182013588.db2.gz JBPNNYQQGUTUGX-MRVPVSSYSA-N 1 2 210.302 1.562 20 0 BDADLO O=C(C[C@H]1CCCCO1)NCCc1[nH]cc[nH+]1 ZINC000122529739 182027509 /nfs/dbraw/zinc/02/75/09/182027509.db2.gz YGNBTKKHQREHLG-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332839354 182025416 /nfs/dbraw/zinc/02/54/16/182025416.db2.gz BHMCSJSBIAEFCN-QWRGUYRKSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332839354 182025418 /nfs/dbraw/zinc/02/54/18/182025418.db2.gz BHMCSJSBIAEFCN-QWRGUYRKSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(Cc1ccc(F)cc1)NCCn1cc[nH+]c1 ZINC000041904447 182036136 /nfs/dbraw/zinc/03/61/36/182036136.db2.gz WYCVOFXALXHZOT-UHFFFAOYSA-N 1 2 247.273 1.381 20 0 BDADLO O=C(Cc1ccsc1)NCCCn1cc[nH+]c1 ZINC000047465598 182057719 /nfs/dbraw/zinc/05/77/19/182057719.db2.gz JAFQRYRVVPJPGA-UHFFFAOYSA-N 1 2 249.339 1.694 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285785072 182071772 /nfs/dbraw/zinc/07/17/72/182071772.db2.gz LOPPZBDMMXBUHG-NEPJUHHUSA-N 1 2 249.314 1.053 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC2(CCC2)C1 ZINC000360485730 182071064 /nfs/dbraw/zinc/07/10/64/182071064.db2.gz CNMHMAFIYSBCTA-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO CCOC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000172909455 373105695 /nfs/dbraw/zinc/10/56/95/373105695.db2.gz YAMMRDLSJZSLHL-NSHDSACASA-N 1 2 233.311 1.996 20 0 BDADLO CCOC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000172909455 373105699 /nfs/dbraw/zinc/10/56/99/373105699.db2.gz YAMMRDLSJZSLHL-NSHDSACASA-N 1 2 233.311 1.996 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(F)cc1F ZINC000010809244 182071481 /nfs/dbraw/zinc/07/14/81/182071481.db2.gz JZUFPWQOYYXXML-UHFFFAOYSA-N 1 2 237.209 1.800 20 0 BDADLO CCCCCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632756471 373127466 /nfs/dbraw/zinc/12/74/66/373127466.db2.gz LTLSZQGJZHAXPI-UHFFFAOYSA-N 1 2 245.348 1.362 20 0 BDADLO CC1CC(NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633095291 373292281 /nfs/dbraw/zinc/29/22/81/373292281.db2.gz SUFAIRXOFCPQAD-UHFFFAOYSA-N 1 2 222.292 1.350 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875321 182110179 /nfs/dbraw/zinc/11/01/79/182110179.db2.gz ROUNTJDLQGOSJJ-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875321 182110184 /nfs/dbraw/zinc/11/01/84/182110184.db2.gz ROUNTJDLQGOSJJ-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CC[C@@H](O)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000633286195 373451115 /nfs/dbraw/zinc/45/11/15/373451115.db2.gz DNVUKLRPQHAOQM-NXEZZACHSA-N 1 2 239.319 1.241 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000633337964 373481336 /nfs/dbraw/zinc/48/13/36/373481336.db2.gz LDSDTXHDDQWQFB-SECBINFHSA-N 1 2 238.335 1.986 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC12CC2 ZINC000633322224 373476334 /nfs/dbraw/zinc/47/63/34/373476334.db2.gz SMEKRUMRHDIQCF-MRVPVSSYSA-N 1 2 220.276 1.104 20 0 BDADLO CC(C)(NC(=O)c1ncccc1N)c1[nH]cc[nH+]1 ZINC000633323857 373478210 /nfs/dbraw/zinc/47/82/10/373478210.db2.gz UGQIABBZYXEFLG-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC(C)(C)F ZINC000633276463 373436962 /nfs/dbraw/zinc/43/69/62/373436962.db2.gz LMDWCSNGLDZNRU-UHFFFAOYSA-N 1 2 242.298 1.450 20 0 BDADLO O=C(NCC1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000336382849 182145699 /nfs/dbraw/zinc/14/56/99/182145699.db2.gz INESLCOQGYROMP-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1conc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000633454233 373560284 /nfs/dbraw/zinc/56/02/84/373560284.db2.gz JFMZWDXLYKNLGN-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO C[C@H](NC(=O)CC1CSC1)c1[nH+]ccn1C ZINC000633648439 373657992 /nfs/dbraw/zinc/65/79/92/373657992.db2.gz GKWCSGUXASVGEM-QMMMGPOBSA-N 1 2 239.344 1.350 20 0 BDADLO Cc1cn2ccc(NC(=O)CCCCO)cc2[nH+]1 ZINC000633652002 373660934 /nfs/dbraw/zinc/66/09/34/373660934.db2.gz WSADFFFMFKHMLL-UHFFFAOYSA-N 1 2 247.298 1.744 20 0 BDADLO O=C(NCCCCO)Nc1ccn2cc[nH+]c2c1 ZINC000290820530 182164195 /nfs/dbraw/zinc/16/41/95/182164195.db2.gz WYPNETDKEMCGIM-UHFFFAOYSA-N 1 2 248.286 1.228 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCCC23CC3)c[nH+]1 ZINC000633773295 373740759 /nfs/dbraw/zinc/74/07/59/373740759.db2.gz GAEGNYBTJMMYRR-JTQLQIEISA-N 1 2 219.288 1.781 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000354264435 182178613 /nfs/dbraw/zinc/17/86/13/182178613.db2.gz JWIRQUKKQQJKAJ-JTQLQIEISA-N 1 2 239.344 1.143 20 0 BDADLO O=C(NCCF)NCCCNc1cccc[nH+]1 ZINC000280895570 182180770 /nfs/dbraw/zinc/18/07/70/182180770.db2.gz FSDYKTZVMWIZEW-UHFFFAOYSA-N 1 2 240.282 1.152 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C(F)(F)F ZINC000263641418 182188982 /nfs/dbraw/zinc/18/89/82/182188982.db2.gz BGRORVHEFTYQLL-UHFFFAOYSA-N 1 2 233.193 1.172 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]23C[C@H]2CCCC3)c[nH+]1 ZINC000634084810 373950225 /nfs/dbraw/zinc/95/02/25/373950225.db2.gz GVDOWDOMDAFMQY-BXKDBHETSA-N 1 2 219.288 1.781 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)c[nH+]1 ZINC000634025978 373911314 /nfs/dbraw/zinc/91/13/14/373911314.db2.gz ZWWIHEYTJWJAFE-ZXFLCMHBSA-N 1 2 223.276 1.014 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC3(C)COC3)ccn12 ZINC000634192067 374010072 /nfs/dbraw/zinc/01/00/72/374010072.db2.gz DMZMPSQJLAFLBU-UHFFFAOYSA-N 1 2 245.282 1.161 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccoc1Cl ZINC000192398071 182211311 /nfs/dbraw/zinc/21/13/11/182211311.db2.gz MUQVICFHEQDXMF-UHFFFAOYSA-N 1 2 239.662 1.629 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1=CCCCCC1 ZINC000185993387 182211363 /nfs/dbraw/zinc/21/13/63/182211363.db2.gz PHSSNEZBUBXMEW-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000359990738 182253081 /nfs/dbraw/zinc/25/30/81/182253081.db2.gz FGNVWGOPCGZOEX-UHFFFAOYSA-N 1 2 241.294 1.899 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc2c([nH]1)CCCC2 ZINC000294670500 182273449 /nfs/dbraw/zinc/27/34/49/182273449.db2.gz RBUOQVLIBZHQMH-UHFFFAOYSA-N 1 2 244.298 1.547 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1=CCCCCC1 ZINC000131207070 182272596 /nfs/dbraw/zinc/27/25/96/182272596.db2.gz ZCCBCAQLQWNRNI-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119503700 182288813 /nfs/dbraw/zinc/28/88/13/182288813.db2.gz ZLIFFAGFCDKJFU-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(NC1CC1C1CC1)N1CC[NH+]2CCC1CC2 ZINC000336271103 182318111 /nfs/dbraw/zinc/31/81/11/182318111.db2.gz VRDNAECNGRSYFB-QWHCGFSZSA-N 1 2 249.358 1.275 20 0 BDADLO Cc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)nc[nH+]1 ZINC000445673921 206085044 /nfs/dbraw/zinc/08/50/44/206085044.db2.gz GVLRFVPWSHJYCF-HBNTYKKESA-N 1 2 221.304 1.787 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@H](C)[C@H]2C)cc[nH+]1 ZINC000445666721 206086150 /nfs/dbraw/zinc/08/61/50/206086150.db2.gz OZHWHHZORASMHW-IVZWLZJFSA-N 1 2 221.304 1.787 20 0 BDADLO CC1(C)C[N@H+](CCOCC(F)(F)F)CCO1 ZINC000194307735 206087444 /nfs/dbraw/zinc/08/74/44/206087444.db2.gz POQSIJYRHLVBMK-UHFFFAOYSA-N 1 2 241.253 1.676 20 0 BDADLO CC1(C)C[N@@H+](CCOCC(F)(F)F)CCO1 ZINC000194307735 206087446 /nfs/dbraw/zinc/08/74/46/206087446.db2.gz POQSIJYRHLVBMK-UHFFFAOYSA-N 1 2 241.253 1.676 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)o1 ZINC000447870835 206094666 /nfs/dbraw/zinc/09/46/66/206094666.db2.gz FTQDYBAXIPYEBS-VIFPVBQESA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)o1 ZINC000447870835 206094670 /nfs/dbraw/zinc/09/46/70/206094670.db2.gz FTQDYBAXIPYEBS-VIFPVBQESA-N 1 2 239.319 1.396 20 0 BDADLO CCCn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000449391975 206096058 /nfs/dbraw/zinc/09/60/58/206096058.db2.gz ZXBIYONYECCEFH-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO CCCn1cc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000449391975 206096065 /nfs/dbraw/zinc/09/60/65/206096065.db2.gz ZXBIYONYECCEFH-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC=CCC1 ZINC000332857706 182342508 /nfs/dbraw/zinc/34/25/08/182342508.db2.gz OHQKZAXNXWHZTN-QWRGUYRKSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC=CCC1 ZINC000332857706 182342511 /nfs/dbraw/zinc/34/25/11/182342511.db2.gz OHQKZAXNXWHZTN-QWRGUYRKSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(Nc1ccc(F)cc1F)[C@H]1CSC[NH2+]1 ZINC000019504984 182357202 /nfs/dbraw/zinc/35/72/02/182357202.db2.gz KMUSBGXDRQWJKP-SECBINFHSA-N 1 2 244.266 1.566 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccoc1 ZINC000109890610 182387433 /nfs/dbraw/zinc/38/74/33/182387433.db2.gz AQTQJDQUZMNETQ-UHFFFAOYSA-N 1 2 204.185 1.633 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1cccnc1 ZINC000109888986 182387644 /nfs/dbraw/zinc/38/76/44/182387644.db2.gz MJAGXXYCJZHCML-UHFFFAOYSA-N 1 2 215.212 1.435 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000522058851 259584880 /nfs/dbraw/zinc/58/48/80/259584880.db2.gz GEQBOZIMJQTJLB-WDEREUQCSA-N 1 2 233.315 1.674 20 0 BDADLO O=c1ccccn1CCNc1cccc[nH+]1 ZINC000036405205 183002094 /nfs/dbraw/zinc/00/20/94/183002094.db2.gz UBYJHNOHFAUNEA-UHFFFAOYSA-N 1 2 215.256 1.355 20 0 BDADLO OC1(c2ccccc2)C[NH+](Cc2ccco2)C1 ZINC000291547284 183022669 /nfs/dbraw/zinc/02/26/69/183022669.db2.gz LWTMZNRSOMYILX-UHFFFAOYSA-N 1 2 229.279 1.983 20 0 BDADLO OCC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000047958731 183041548 /nfs/dbraw/zinc/04/15/48/183041548.db2.gz ZXYCWRKPLAAAGM-UHFFFAOYSA-N 1 2 245.273 1.483 20 0 BDADLO OCC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000301477358 183037046 /nfs/dbraw/zinc/03/70/46/183037046.db2.gz PGABRZMCWJXYPB-UHFFFAOYSA-N 1 2 219.288 1.538 20 0 BDADLO OCCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126516306 183056153 /nfs/dbraw/zinc/05/61/53/183056153.db2.gz LAEYDZJLQDNIQZ-CYBMUJFWSA-N 1 2 237.299 1.148 20 0 BDADLO OCCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126516306 183056155 /nfs/dbraw/zinc/05/61/55/183056155.db2.gz LAEYDZJLQDNIQZ-CYBMUJFWSA-N 1 2 237.299 1.148 20 0 BDADLO OCC[NH+](CCO)Cc1c(F)cccc1Cl ZINC000049753155 183065495 /nfs/dbraw/zinc/06/54/95/183065495.db2.gz VMPGFWSEKBIEFU-UHFFFAOYSA-N 1 2 247.697 1.266 20 0 BDADLO OCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000173179816 183069811 /nfs/dbraw/zinc/06/98/11/183069811.db2.gz HNCVGVFHASSHIA-UHFFFAOYSA-N 1 2 221.256 1.867 20 0 BDADLO OCC[N@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC000095830101 183070311 /nfs/dbraw/zinc/07/03/11/183070311.db2.gz DWFHMCCBZZUJKC-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO OCC[N@@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC000095830101 183070312 /nfs/dbraw/zinc/07/03/12/183070312.db2.gz DWFHMCCBZZUJKC-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO OCC[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000095830101 183070313 /nfs/dbraw/zinc/07/03/13/183070313.db2.gz DWFHMCCBZZUJKC-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO OCC[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000095830101 183070314 /nfs/dbraw/zinc/07/03/14/183070314.db2.gz DWFHMCCBZZUJKC-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO OCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377996696 183073253 /nfs/dbraw/zinc/07/32/53/183073253.db2.gz JSQUWQDGYIAQKY-SNVBAGLBSA-N 1 2 237.303 1.466 20 0 BDADLO OCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377996696 183073255 /nfs/dbraw/zinc/07/32/55/183073255.db2.gz JSQUWQDGYIAQKY-SNVBAGLBSA-N 1 2 237.303 1.466 20 0 BDADLO OCCOCCSc1[nH+]cc2ccccn21 ZINC000078700324 183085603 /nfs/dbraw/zinc/08/56/03/183085603.db2.gz NLXHIOQYYMEDDR-UHFFFAOYSA-N 1 2 238.312 1.435 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000041053386 169011201 /nfs/dbraw/zinc/01/12/01/169011201.db2.gz FWIKESVIFWCROG-QWRGUYRKSA-N 1 2 229.320 1.487 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccon1)c1cccc(F)c1 ZINC000359532327 183109144 /nfs/dbraw/zinc/10/91/44/183109144.db2.gz TYTVOEORZLJQDK-GFCCVEGCSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccsc1 ZINC000308898963 183109690 /nfs/dbraw/zinc/10/96/90/183109690.db2.gz BFYCFHYRSIWCJT-SNVBAGLBSA-N 1 2 223.301 1.294 20 0 BDADLO OC[C@H]([NH2+]Cc1cc[nH]n1)c1ccsc1 ZINC000336730346 183141220 /nfs/dbraw/zinc/14/12/20/183141220.db2.gz JVUVOKPGDZWNCL-JTQLQIEISA-N 1 2 223.301 1.294 20 0 BDADLO OC[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090804288 183154008 /nfs/dbraw/zinc/15/40/08/183154008.db2.gz CINNHXHESNKIEC-QMMMGPOBSA-N 1 2 246.232 1.919 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000015019599 183154721 /nfs/dbraw/zinc/15/47/21/183154721.db2.gz UDJLSVQIAWENSE-GFCCVEGCSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000015019599 183154723 /nfs/dbraw/zinc/15/47/23/183154723.db2.gz UDJLSVQIAWENSE-GFCCVEGCSA-N 1 2 225.263 1.019 20 0 BDADLO OCc1ccc(NCc2ccc(F)cc2)[nH+]c1 ZINC000340580431 183162721 /nfs/dbraw/zinc/16/27/21/183162721.db2.gz REPZANXVGVCQAT-UHFFFAOYSA-N 1 2 232.258 1.747 20 0 BDADLO OCc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)o1 ZINC000289886427 183162771 /nfs/dbraw/zinc/16/27/71/183162771.db2.gz SJWHLOGWPZQRAR-GFCCVEGCSA-N 1 2 243.278 1.068 20 0 BDADLO OCc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)o1 ZINC000289886427 183162772 /nfs/dbraw/zinc/16/27/72/183162772.db2.gz SJWHLOGWPZQRAR-GFCCVEGCSA-N 1 2 243.278 1.068 20 0 BDADLO OCc1ccc(NCc2cccc(O)c2)[nH+]c1 ZINC000356348601 183163514 /nfs/dbraw/zinc/16/35/14/183163514.db2.gz VZOSASNZLVRRSR-UHFFFAOYSA-N 1 2 230.267 1.314 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2n[nH]cc2C1)CC(F)(F)F ZINC000276264232 183178244 /nfs/dbraw/zinc/17/82/44/183178244.db2.gz RNTQCESXUVNKDU-MRVPVSSYSA-N 1 2 249.236 1.081 20 0 BDADLO O[C@@H](C[N@H+]1CCc2n[nH]cc2C1)CC(F)(F)F ZINC000276264232 183178248 /nfs/dbraw/zinc/17/82/48/183178248.db2.gz RNTQCESXUVNKDU-MRVPVSSYSA-N 1 2 249.236 1.081 20 0 BDADLO OCc1ccc(NCc2cocn2)[nH+]c1 ZINC000336735741 183166689 /nfs/dbraw/zinc/16/66/89/183166689.db2.gz OKGKXKUBLQQABZ-UHFFFAOYSA-N 1 2 205.217 1.174 20 0 BDADLO CCCN(C)C(=O)NCc1c[nH+]ccc1OC ZINC000293116964 169055194 /nfs/dbraw/zinc/05/51/94/169055194.db2.gz XTNJEMKMYOSZJF-UHFFFAOYSA-N 1 2 237.303 1.642 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000128095380 183197872 /nfs/dbraw/zinc/19/78/72/183197872.db2.gz AZEJVICRDHDBDF-MRVPVSSYSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000128095380 183197874 /nfs/dbraw/zinc/19/78/74/183197874.db2.gz AZEJVICRDHDBDF-MRVPVSSYSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000294756320 183208138 /nfs/dbraw/zinc/20/81/38/183208138.db2.gz IRBDTBMVYQSOKS-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000294756320 183208140 /nfs/dbraw/zinc/20/81/40/183208140.db2.gz IRBDTBMVYQSOKS-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H](CC[N@@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000367839435 183218845 /nfs/dbraw/zinc/21/88/45/183218845.db2.gz ZYGUYUZGUOEUBK-MCIONIFRSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@H](CC[N@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000367839435 183218846 /nfs/dbraw/zinc/21/88/46/183218846.db2.gz ZYGUYUZGUOEUBK-MCIONIFRSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@H](CNc1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000277391957 183225064 /nfs/dbraw/zinc/22/50/64/183225064.db2.gz JCGUCHOQVUYVOL-LLVKDONJSA-N 1 2 248.330 1.260 20 0 BDADLO O[C@H](CNc1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000277391957 183225066 /nfs/dbraw/zinc/22/50/66/183225066.db2.gz JCGUCHOQVUYVOL-LLVKDONJSA-N 1 2 248.330 1.260 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1n[nH]cc1C ZINC000290393002 169093777 /nfs/dbraw/zinc/09/37/77/169093777.db2.gz JQDSFBMBSXUCAB-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1n[nH]cc1C ZINC000290393002 169093780 /nfs/dbraw/zinc/09/37/80/169093780.db2.gz JQDSFBMBSXUCAB-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1[nH]ncc1C ZINC000290393002 169093783 /nfs/dbraw/zinc/09/37/83/169093783.db2.gz JQDSFBMBSXUCAB-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1[nH]ncc1C ZINC000290393002 169093787 /nfs/dbraw/zinc/09/37/87/169093787.db2.gz JQDSFBMBSXUCAB-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1cccn1C ZINC000092380560 169101936 /nfs/dbraw/zinc/10/19/36/169101936.db2.gz ZBPXSCZJOQOBHQ-UHFFFAOYSA-N 1 2 238.331 1.800 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1cccn1C ZINC000092380560 169101938 /nfs/dbraw/zinc/10/19/38/169101938.db2.gz ZBPXSCZJOQOBHQ-UHFFFAOYSA-N 1 2 238.331 1.800 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1cncs1 ZINC000092381512 169094611 /nfs/dbraw/zinc/09/46/11/169094611.db2.gz MOAKVLAQBIPSDA-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1cncs1 ZINC000092381512 169094613 /nfs/dbraw/zinc/09/46/13/169094613.db2.gz MOAKVLAQBIPSDA-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000294756315 183245333 /nfs/dbraw/zinc/24/53/33/183245333.db2.gz IRBDTBMVYQSOKS-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000294756315 183245334 /nfs/dbraw/zinc/24/53/34/183245334.db2.gz IRBDTBMVYQSOKS-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000086001386 183233856 /nfs/dbraw/zinc/23/38/56/183233856.db2.gz TVPGYMRWIZHETK-NZGHECTNSA-N 1 2 210.104 1.762 20 0 BDADLO O[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000086001386 183233859 /nfs/dbraw/zinc/23/38/59/183233859.db2.gz TVPGYMRWIZHETK-NZGHECTNSA-N 1 2 210.104 1.762 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H]1COCCO1 ZINC000336646656 169108284 /nfs/dbraw/zinc/10/82/84/169108284.db2.gz KZCUPLGFOJMJGW-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H]1COCCO1 ZINC000336646656 169108286 /nfs/dbraw/zinc/10/82/86/169108286.db2.gz KZCUPLGFOJMJGW-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO Oc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000308938418 183270203 /nfs/dbraw/zinc/27/02/03/183270203.db2.gz PDJVLOMVSBEWGF-UHFFFAOYSA-N 1 2 204.229 1.670 20 0 BDADLO CCCN(CC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279285693 169135428 /nfs/dbraw/zinc/13/54/28/169135428.db2.gz XIOZYPZVLHXMCN-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cscn1)C2 ZINC000360416984 183263051 /nfs/dbraw/zinc/26/30/51/183263051.db2.gz OONZEGVARBXVEB-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cscn1)C2 ZINC000360416984 183263052 /nfs/dbraw/zinc/26/30/52/183263052.db2.gz OONZEGVARBXVEB-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO Oc1cccc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000041014479 183291810 /nfs/dbraw/zinc/29/18/10/183291810.db2.gz ZJQIOHHRUHSYPK-UHFFFAOYSA-N 1 2 203.245 1.405 20 0 BDADLO c1c[nH+]c(CN2CCOC3(CCCC3)C2)[nH]1 ZINC000158341662 183326154 /nfs/dbraw/zinc/32/61/54/183326154.db2.gz NOUHMGQDLAZDGU-UHFFFAOYSA-N 1 2 221.304 1.555 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2Cc2cc[nH]n2)[nH]1 ZINC000092730025 183327096 /nfs/dbraw/zinc/32/70/96/183327096.db2.gz XSJHQDVEHOZINE-LLVKDONJSA-N 1 2 231.303 1.860 20 0 BDADLO c1c[nH+]c([C@H]2CCCN(Cc3cocn3)C2)[nH]1 ZINC000276496413 183327322 /nfs/dbraw/zinc/32/73/22/183327322.db2.gz WUPIZEIJWLOBDI-JTQLQIEISA-N 1 2 232.287 1.777 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1ncccn1)CC2 ZINC000330273194 183308737 /nfs/dbraw/zinc/30/87/37/183308737.db2.gz YVPXNRMYMOTDOE-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1ncccn1)CC2 ZINC000330273194 183308739 /nfs/dbraw/zinc/30/87/39/183308739.db2.gz YVPXNRMYMOTDOE-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286064006 169223222 /nfs/dbraw/zinc/22/32/22/169223222.db2.gz JGQGNFIPOJROSJ-NSHDSACASA-N 1 2 236.319 1.073 20 0 BDADLO CCCNC(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286064006 169223224 /nfs/dbraw/zinc/22/32/24/169223224.db2.gz JGQGNFIPOJROSJ-NSHDSACASA-N 1 2 236.319 1.073 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1nc(C)cs1 ZINC000038091635 169226912 /nfs/dbraw/zinc/22/69/12/169226912.db2.gz HPYDJLSHYDICIW-UHFFFAOYSA-N 1 2 227.333 1.067 20 0 BDADLO c1cc(C[N@@H+]2CCCc3occc3C2)n[nH]1 ZINC000290251449 183343931 /nfs/dbraw/zinc/34/39/31/183343931.db2.gz VTBHHLOTNIGTIA-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO c1cc(C[N@H+]2CCCc3occc3C2)n[nH]1 ZINC000290251449 183343932 /nfs/dbraw/zinc/34/39/32/183343932.db2.gz VTBHHLOTNIGTIA-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CSCCS2)[nH]n1 ZINC000131144866 183349895 /nfs/dbraw/zinc/34/98/95/183349895.db2.gz JBXFSYUPJZYZDK-SECBINFHSA-N 1 2 229.374 1.348 20 0 BDADLO CCCNC(=O)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000111546655 169214499 /nfs/dbraw/zinc/21/44/99/169214499.db2.gz UCUBZKBALCSWER-UHFFFAOYSA-N 1 2 249.314 1.635 20 0 BDADLO c1cc(N[C@@H]2CCO[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000340567928 183334844 /nfs/dbraw/zinc/33/48/44/183334844.db2.gz CUKLQVXOBGLTOT-YPMHNXCESA-N 1 2 245.326 1.755 20 0 BDADLO CCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069042109 169237310 /nfs/dbraw/zinc/23/73/10/169237310.db2.gz PRDGPYYWRPCTKO-UHFFFAOYSA-N 1 2 246.314 1.852 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362560727 169241288 /nfs/dbraw/zinc/24/12/88/169241288.db2.gz OBXKAKGAYJNVJL-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362560727 169241289 /nfs/dbraw/zinc/24/12/89/169241289.db2.gz OBXKAKGAYJNVJL-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000133845028 183360108 /nfs/dbraw/zinc/36/01/08/183360108.db2.gz FKZPTETXUGCTOL-GFCCVEGCSA-N 1 2 242.282 1.529 20 0 BDADLO CCC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000275669263 169290229 /nfs/dbraw/zinc/29/02/29/169290229.db2.gz FVEDKHFAQRXPAU-GFCCVEGCSA-N 1 2 239.290 1.909 20 0 BDADLO c1cn(Cc2noc(Cc3ccccc3)n2)c[nH+]1 ZINC000065288304 183412873 /nfs/dbraw/zinc/41/28/73/183412873.db2.gz QGDNZGSCKODVLK-UHFFFAOYSA-N 1 2 240.266 1.905 20 0 BDADLO CCC[C@@H](C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000354479024 169365067 /nfs/dbraw/zinc/36/50/67/169365067.db2.gz PFBOKGWGZIYMIY-SNVBAGLBSA-N 1 2 248.330 1.643 20 0 BDADLO CCC[C@@H](C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000354479024 169365068 /nfs/dbraw/zinc/36/50/68/169365068.db2.gz PFBOKGWGZIYMIY-SNVBAGLBSA-N 1 2 248.330 1.643 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccn[nH]1 ZINC000292701025 169350531 /nfs/dbraw/zinc/35/05/31/169350531.db2.gz ODEUMDXYAYMBHC-SNVBAGLBSA-N 1 2 238.335 1.052 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356577154 169350588 /nfs/dbraw/zinc/35/05/88/169350588.db2.gz GBCPKOGGPPBPBR-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356577154 169350589 /nfs/dbraw/zinc/35/05/89/169350589.db2.gz GBCPKOGGPPBPBR-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000078488520 169356325 /nfs/dbraw/zinc/35/63/25/169356325.db2.gz BCMGDCLJODELSO-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000264059649 169363001 /nfs/dbraw/zinc/36/30/01/169363001.db2.gz AUTDUDLESGSHBR-SNVBAGLBSA-N 1 2 238.335 1.750 20 0 BDADLO CCCc1noc(C[N@H+](CCO)C2CCC2)n1 ZINC000221147521 134316906 /nfs/dbraw/zinc/31/69/06/134316906.db2.gz RUWWUPDPGPTUHF-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@@H+](CCO)C2CCC2)n1 ZINC000221147521 134316907 /nfs/dbraw/zinc/31/69/07/134316907.db2.gz RUWWUPDPGPTUHF-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO COCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180045827 134325716 /nfs/dbraw/zinc/32/57/16/134325716.db2.gz NVSNVBWPUWWVBF-SNVBAGLBSA-N 1 2 231.336 1.589 20 0 BDADLO CCC[C@@](C)(O)C(=O)NCc1[nH+]ccn1CC ZINC000297167287 169456217 /nfs/dbraw/zinc/45/62/17/169456217.db2.gz KFVNHLYPKCOLNG-GFCCVEGCSA-N 1 2 239.319 1.070 20 0 BDADLO CNC(=O)[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225326726 134354564 /nfs/dbraw/zinc/35/45/64/134354564.db2.gz MORMMRYIADTFNA-YFKPBYRVSA-N 1 2 233.724 1.021 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCSC)C(=O)OC ZINC000183661372 134355201 /nfs/dbraw/zinc/35/52/01/134355201.db2.gz PVFWVNUXCKCEMT-IUCAKERBSA-N 1 2 219.350 1.527 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cnn(C)c1 ZINC000194847184 259628717 /nfs/dbraw/zinc/62/87/17/259628717.db2.gz FJKLRECDMMIGOT-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO COCCOCCCNc1cc(C)[nH+]cn1 ZINC000225693015 134356678 /nfs/dbraw/zinc/35/66/78/134356678.db2.gz VWGGEKQMZWETPZ-UHFFFAOYSA-N 1 2 225.292 1.250 20 0 BDADLO CO[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1(C)C ZINC000493757808 532954189 /nfs/dbraw/zinc/95/41/89/532954189.db2.gz PBOSCKYXDHIWFT-NRFYAWERSA-N 1 2 249.314 1.353 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]Cc2cnn(C)c2)o1 ZINC000220931897 383828460 /nfs/dbraw/zinc/82/84/60/383828460.db2.gz ZVZZMARYJIIUAA-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@H]([NH2+]Cc1ccco1)c1cnccn1 ZINC000070024350 383855369 /nfs/dbraw/zinc/85/53/69/383855369.db2.gz OHPWSEGYRNCZBI-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000112342996 383920899 /nfs/dbraw/zinc/92/08/99/383920899.db2.gz WPOHSDASHUAIOB-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO CC[C@@H](O)[C@@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC000313134844 383921153 /nfs/dbraw/zinc/92/11/53/383921153.db2.gz DVGYKMUBCMYKRL-NXEZZACHSA-N 1 2 249.318 1.325 20 0 BDADLO CC[N@H+](CCO)Cc1nnc(C(C)C)o1 ZINC000112525225 383928963 /nfs/dbraw/zinc/92/89/63/383928963.db2.gz OLIRYBMOMIYCCK-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO CC[N@@H+](CCO)Cc1nnc(C(C)C)o1 ZINC000112525225 383928970 /nfs/dbraw/zinc/92/89/70/383928970.db2.gz OLIRYBMOMIYCCK-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)c1cnn(C)c1 ZINC000493356230 533020533 /nfs/dbraw/zinc/02/05/33/533020533.db2.gz QWTLFPKGTYJHHX-CDAZIORVSA-N 1 2 245.286 1.034 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119849936 383900880 /nfs/dbraw/zinc/90/08/80/383900880.db2.gz RKHUMLCRNRLETP-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO CSC[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000066927185 383902592 /nfs/dbraw/zinc/90/25/92/383902592.db2.gz OTEXCQHLOZYSRC-SNVBAGLBSA-N 1 2 241.360 1.389 20 0 BDADLO CCC(CC)NC(=O)Cc1c[nH+]cn1C ZINC000558397387 383982859 /nfs/dbraw/zinc/98/28/59/383982859.db2.gz VXPCJWMIXJMTAE-UHFFFAOYSA-N 1 2 209.293 1.267 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2c[nH+]cn2C)o1 ZINC000558415480 383993393 /nfs/dbraw/zinc/99/33/93/383993393.db2.gz JSBMPALERIOQIP-UHFFFAOYSA-N 1 2 247.298 1.223 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)no1 ZINC000065426104 384049235 /nfs/dbraw/zinc/04/92/35/384049235.db2.gz HFRSXBBAHXILAZ-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)no1 ZINC000065426104 384049239 /nfs/dbraw/zinc/04/92/39/384049239.db2.gz HFRSXBBAHXILAZ-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO COC[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000069054133 384027879 /nfs/dbraw/zinc/02/78/79/384027879.db2.gz BWOHQZIPXUBCRZ-LBPRGKRZSA-N 1 2 232.283 1.557 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334339480 384030803 /nfs/dbraw/zinc/03/08/03/384030803.db2.gz BNABWFVXQATSPH-PHIMTYICSA-N 1 2 223.272 1.188 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334339480 384030814 /nfs/dbraw/zinc/03/08/14/384030814.db2.gz BNABWFVXQATSPH-PHIMTYICSA-N 1 2 223.272 1.188 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)[nH]n1 ZINC000114337025 384033054 /nfs/dbraw/zinc/03/30/54/384033054.db2.gz QEAGAGIKWQRCAG-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(c1)OCO2 ZINC000090153489 384033361 /nfs/dbraw/zinc/03/33/61/384033361.db2.gz QQEWRTMFPYUZRS-UHFFFAOYSA-N 1 2 231.255 1.761 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC1CC=CC1 ZINC000644902271 384033491 /nfs/dbraw/zinc/03/34/91/384033491.db2.gz IYDIDFUCHZXVFE-UHFFFAOYSA-N 1 2 247.298 1.608 20 0 BDADLO Cn1ccnc1C[N@H+](CCO)Cc1ccccc1 ZINC000049752788 384038309 /nfs/dbraw/zinc/03/83/09/384038309.db2.gz JEBCVZQQKKYYFS-UHFFFAOYSA-N 1 2 245.326 1.415 20 0 BDADLO Cn1ccnc1C[N@@H+](CCO)Cc1ccccc1 ZINC000049752788 384038320 /nfs/dbraw/zinc/03/83/20/384038320.db2.gz JEBCVZQQKKYYFS-UHFFFAOYSA-N 1 2 245.326 1.415 20 0 BDADLO CCOC[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000069277735 384039545 /nfs/dbraw/zinc/03/95/45/384039545.db2.gz CFZLSAJNADBWQP-ZDUSSCGKSA-N 1 2 246.310 1.948 20 0 BDADLO COC(=O)C[C@H](C)SCc1[nH+]ccn1C ZINC000078817692 384083649 /nfs/dbraw/zinc/08/36/49/384083649.db2.gz FQUAFXXMZQGJEW-QMMMGPOBSA-N 1 2 228.317 1.605 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncn(C)n1)CC2 ZINC000090969480 384086694 /nfs/dbraw/zinc/08/66/94/384086694.db2.gz AXPPLWUIHYNYMO-CYBMUJFWSA-N 1 2 242.326 1.901 20 0 BDADLO Cc1noc(C[NH2+][C@@H](C)c2cccc(O)c2)n1 ZINC000038034399 384062033 /nfs/dbraw/zinc/06/20/33/384062033.db2.gz FYMRGKSBAXXCNV-QMMMGPOBSA-N 1 2 233.271 1.934 20 0 BDADLO C[C@@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078591962 384075775 /nfs/dbraw/zinc/07/57/75/384075775.db2.gz DBYGJPLLPFHGSG-LURJTMIESA-N 1 2 220.194 1.893 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000070142687 384081230 /nfs/dbraw/zinc/08/12/30/384081230.db2.gz KKVWWRRMZUQRHR-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)cc1 ZINC000070142687 384081233 /nfs/dbraw/zinc/08/12/33/384081233.db2.gz KKVWWRRMZUQRHR-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO O=C(c1ccco1)N1CC[NH+](C2CC2)CC1 ZINC000070266223 384095882 /nfs/dbraw/zinc/09/58/82/384095882.db2.gz HRSOIXLWIXFJKU-UHFFFAOYSA-N 1 2 220.272 1.200 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000050048788 384101425 /nfs/dbraw/zinc/10/14/25/384101425.db2.gz YCLSJPDJUYRWLY-RYEJSQLPSA-N 1 2 203.669 1.376 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1C/C=C/Cl ZINC000050048788 384101428 /nfs/dbraw/zinc/10/14/28/384101428.db2.gz YCLSJPDJUYRWLY-RYEJSQLPSA-N 1 2 203.669 1.376 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)o1 ZINC000050049061 384102219 /nfs/dbraw/zinc/10/22/19/384102219.db2.gz SXHQCOBWWGKAIZ-LLVKDONJSA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)o1 ZINC000050049061 384102226 /nfs/dbraw/zinc/10/22/26/384102226.db2.gz SXHQCOBWWGKAIZ-LLVKDONJSA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000227771255 134393889 /nfs/dbraw/zinc/39/38/89/134393889.db2.gz BMYYLWHVJIGAHL-UWVGGRQHSA-N 1 2 229.345 1.423 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)CSC)C1CC1 ZINC000227770295 134394076 /nfs/dbraw/zinc/39/40/76/134394076.db2.gz MGPGKFDUJMDWEU-APPZFPTMSA-N 1 2 217.334 1.279 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)CSC)C1CC1 ZINC000227770284 134393562 /nfs/dbraw/zinc/39/35/62/134393562.db2.gz MGPGKFDUJMDWEU-CBAPKCEASA-N 1 2 217.334 1.279 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000117338601 384172402 /nfs/dbraw/zinc/17/24/02/384172402.db2.gz LWNMZEOLOLVNPU-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000117338601 384172404 /nfs/dbraw/zinc/17/24/04/384172404.db2.gz LWNMZEOLOLVNPU-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CC(C)C ZINC000040775584 384165811 /nfs/dbraw/zinc/16/58/11/384165811.db2.gz YIRRMOOMIZFXQE-NSHDSACASA-N 1 2 211.309 1.215 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)on1 ZINC000574338078 384177267 /nfs/dbraw/zinc/17/72/67/384177267.db2.gz ABPQAPIPNOETMF-GUBZILKMSA-N 1 2 237.303 1.793 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOCC1(C)C ZINC000092399337 384177374 /nfs/dbraw/zinc/17/73/74/384177374.db2.gz YPXDCRADYOLBCT-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1nccc1C[N@H+]1CCOCC1(C)C ZINC000092399337 384177379 /nfs/dbraw/zinc/17/73/79/384177379.db2.gz YPXDCRADYOLBCT-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)s1 ZINC000093049898 384206743 /nfs/dbraw/zinc/20/67/43/384206743.db2.gz GVHLBHBPVHGXTF-NSHDSACASA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)s1 ZINC000093049898 384206749 /nfs/dbraw/zinc/20/67/49/384206749.db2.gz GVHLBHBPVHGXTF-NSHDSACASA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000559366499 384207336 /nfs/dbraw/zinc/20/73/36/384207336.db2.gz HDPSSCBMFMAHFN-OUAUKWLOSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000559366499 384207343 /nfs/dbraw/zinc/20/73/43/384207343.db2.gz HDPSSCBMFMAHFN-OUAUKWLOSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1OC ZINC000093050539 384207420 /nfs/dbraw/zinc/20/74/20/384207420.db2.gz CRUUHOWDSALRNO-LBPRGKRZSA-N 1 2 248.326 1.406 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1OC ZINC000093050539 384207426 /nfs/dbraw/zinc/20/74/26/384207426.db2.gz CRUUHOWDSALRNO-LBPRGKRZSA-N 1 2 248.326 1.406 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)[nH]1 ZINC000092618701 384186502 /nfs/dbraw/zinc/18/65/02/384186502.db2.gz IJEXDCANZZEENT-CYBMUJFWSA-N 1 2 248.330 1.420 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)[nH]1 ZINC000092618701 384186507 /nfs/dbraw/zinc/18/65/07/384186507.db2.gz IJEXDCANZZEENT-CYBMUJFWSA-N 1 2 248.330 1.420 20 0 BDADLO Cn1cc[nH+]c1CN1CCOc2cc(F)ccc21 ZINC000118408699 384199126 /nfs/dbraw/zinc/19/91/26/384199126.db2.gz LNFYPWNDZREIFG-UHFFFAOYSA-N 1 2 247.273 1.958 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359526772 384232930 /nfs/dbraw/zinc/23/29/30/384232930.db2.gz DSMJQMBDECVBBL-LBPRGKRZSA-N 1 2 249.289 1.382 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccno1 ZINC000072978873 384240126 /nfs/dbraw/zinc/24/01/26/384240126.db2.gz OUBOJLLDCFXQMS-LLVKDONJSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccno1 ZINC000072978873 384240130 /nfs/dbraw/zinc/24/01/30/384240130.db2.gz OUBOJLLDCFXQMS-LLVKDONJSA-N 1 2 224.304 1.922 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ncccc1C ZINC000093175101 384219327 /nfs/dbraw/zinc/21/93/27/384219327.db2.gz IYZUVBVLADPLOS-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ncccc1C ZINC000093175101 384219330 /nfs/dbraw/zinc/21/93/30/384219330.db2.gz IYZUVBVLADPLOS-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@](C)(C[NH2+]CC(F)(F)CO)OC ZINC000319485473 384250938 /nfs/dbraw/zinc/25/09/38/384250938.db2.gz TYYOIHWDLNIGMJ-MRVPVSSYSA-N 1 2 211.252 1.019 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1CF ZINC000292672529 384255575 /nfs/dbraw/zinc/25/55/75/384255575.db2.gz DBYVQZQPTRPKTP-MRVPVSSYSA-N 1 2 235.266 1.302 20 0 BDADLO COC(=O)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119372536 384263620 /nfs/dbraw/zinc/26/36/20/384263620.db2.gz CYDLIGSZAQSBFL-UHFFFAOYSA-N 1 2 237.259 1.075 20 0 BDADLO CC(=O)c1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000010495320 384276312 /nfs/dbraw/zinc/27/63/12/384276312.db2.gz AAJRBXTUYXHTET-UHFFFAOYSA-N 1 2 246.310 1.924 20 0 BDADLO CC[C@H](C)CN(CC)c1nc(C)[nH+]c(N)n1 ZINC000304435964 384305704 /nfs/dbraw/zinc/30/57/04/384305704.db2.gz HBZBDUHPWFGCKM-QMMMGPOBSA-N 1 2 223.324 1.635 20 0 BDADLO CC[C@H](C)CN(CC)c1nc(N)nc(C)[nH+]1 ZINC000304435964 384305707 /nfs/dbraw/zinc/30/57/07/384305707.db2.gz HBZBDUHPWFGCKM-QMMMGPOBSA-N 1 2 223.324 1.635 20 0 BDADLO CC[S@](=O)Cc1cn2ccccc2[nH+]1 ZINC000133302538 384281841 /nfs/dbraw/zinc/28/18/41/384281841.db2.gz VENYTZACXINFFJ-CQSZACIVSA-N 1 2 208.286 1.603 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000074448173 384288235 /nfs/dbraw/zinc/28/82/35/384288235.db2.gz ZVHZOUXYQRSADX-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2ccc(F)cc2C1 ZINC000074448173 384288240 /nfs/dbraw/zinc/28/82/40/384288240.db2.gz ZVHZOUXYQRSADX-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO COC[C@H](NC(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000119679120 384295297 /nfs/dbraw/zinc/29/52/97/384295297.db2.gz OVPWFKIZDZPSED-LBPRGKRZSA-N 1 2 249.314 1.937 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000558865580 384344551 /nfs/dbraw/zinc/34/45/51/384344551.db2.gz KDDRHWSWKBWVJH-QMMMGPOBSA-N 1 2 218.203 1.488 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000558865580 384344557 /nfs/dbraw/zinc/34/45/57/384344557.db2.gz KDDRHWSWKBWVJH-QMMMGPOBSA-N 1 2 218.203 1.488 20 0 BDADLO O=C(c1ccoc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120323481 384345948 /nfs/dbraw/zinc/34/59/48/384345948.db2.gz BNLXQJVRTVDRQF-UHFFFAOYSA-N 1 2 245.282 1.953 20 0 BDADLO CC[N@H+](CCOC)Cc1cc(C(C)=O)no1 ZINC000569619054 384351073 /nfs/dbraw/zinc/35/10/73/384351073.db2.gz NOZOYDHQSXTUTJ-UHFFFAOYSA-N 1 2 226.276 1.346 20 0 BDADLO CC[N@@H+](CCOC)Cc1cc(C(C)=O)no1 ZINC000569619054 384351079 /nfs/dbraw/zinc/35/10/79/384351079.db2.gz NOZOYDHQSXTUTJ-UHFFFAOYSA-N 1 2 226.276 1.346 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000304523908 384353342 /nfs/dbraw/zinc/35/33/42/384353342.db2.gz SLPAJAFFRAHDIA-HTQZYQBOSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000304523908 384353356 /nfs/dbraw/zinc/35/33/56/384353356.db2.gz SLPAJAFFRAHDIA-HTQZYQBOSA-N 1 2 221.308 1.245 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccn2C)CCS1 ZINC000076072076 384356496 /nfs/dbraw/zinc/35/64/96/384356496.db2.gz DRXFRUCLUPHYLT-JTQLQIEISA-N 1 2 225.361 1.748 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccn2C)CCS1 ZINC000076072076 384356501 /nfs/dbraw/zinc/35/65/01/384356501.db2.gz DRXFRUCLUPHYLT-JTQLQIEISA-N 1 2 225.361 1.748 20 0 BDADLO Cc1ccsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081760 384363770 /nfs/dbraw/zinc/36/37/70/384363770.db2.gz CIPQOSCWRSXOPF-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO Cc1ccsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081760 384363772 /nfs/dbraw/zinc/36/37/72/384363772.db2.gz CIPQOSCWRSXOPF-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO COC(=O)[C@H](C1CC1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000084092918 384363922 /nfs/dbraw/zinc/36/39/22/384363922.db2.gz OWQHWGCWPNQUCT-QXEWZRGKSA-N 1 2 227.304 1.047 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083248136 384367221 /nfs/dbraw/zinc/36/72/21/384367221.db2.gz QZKZRPGHPCEXAB-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083248136 384367227 /nfs/dbraw/zinc/36/72/27/384367227.db2.gz QZKZRPGHPCEXAB-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO c1c[nH]c([C@H]([NH2+][C@@H]2CCOC2)c2ccccn2)n1 ZINC000447574793 384325884 /nfs/dbraw/zinc/32/58/84/384325884.db2.gz OMYRRGHBVWRZMM-ZYHUDNBSSA-N 1 2 244.298 1.273 20 0 BDADLO c1c[nH+]c([C@H](N[C@@H]2CCOC2)c2ccccn2)[nH]1 ZINC000447574793 384325894 /nfs/dbraw/zinc/32/58/94/384325894.db2.gz OMYRRGHBVWRZMM-ZYHUDNBSSA-N 1 2 244.298 1.273 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000304476565 384326216 /nfs/dbraw/zinc/32/62/16/384326216.db2.gz NZCOYSAPMGHDMB-CBAPKCEASA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCCC[C@@H]2C)[nH+]1 ZINC000304476565 384326226 /nfs/dbraw/zinc/32/62/26/384326226.db2.gz NZCOYSAPMGHDMB-CBAPKCEASA-N 1 2 221.308 1.753 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](O)C2(C)C)no1 ZINC000332700474 384334849 /nfs/dbraw/zinc/33/48/49/384334849.db2.gz XCWCXYHZBLPAGD-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](O)C2(C)C)no1 ZINC000332700474 384334855 /nfs/dbraw/zinc/33/48/55/384334855.db2.gz XCWCXYHZBLPAGD-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175102444 384393828 /nfs/dbraw/zinc/39/38/28/384393828.db2.gz AIPWTSIDSPAKMS-DTWKUNHWSA-N 1 2 243.307 1.244 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175102444 384393838 /nfs/dbraw/zinc/39/38/38/384393838.db2.gz AIPWTSIDSPAKMS-DTWKUNHWSA-N 1 2 243.307 1.244 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@H](O)CC2)no1 ZINC000331625487 384401412 /nfs/dbraw/zinc/40/14/12/384401412.db2.gz KPXLWWRYIDZAHV-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@H](O)CC2)no1 ZINC000331625487 384401415 /nfs/dbraw/zinc/40/14/15/384401415.db2.gz KPXLWWRYIDZAHV-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H]1CCOC1 ZINC000121280646 384405542 /nfs/dbraw/zinc/40/55/42/384405542.db2.gz NGDNJGNREXAGDF-SNVBAGLBSA-N 1 2 235.287 1.643 20 0 BDADLO Cc1ccoc1C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000135143670 384413987 /nfs/dbraw/zinc/41/39/87/384413987.db2.gz BRDOIBIFTPGGIB-SNVBAGLBSA-N 1 2 246.314 1.977 20 0 BDADLO COC[C@@H](NC(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000121483864 384421090 /nfs/dbraw/zinc/42/10/90/384421090.db2.gz RDUFUOGUOHYTQE-GFCCVEGCSA-N 1 2 249.314 1.937 20 0 BDADLO c1cc(CNCc2c[nH+]c3n2CCCC3)n[nH]1 ZINC000556429834 384383849 /nfs/dbraw/zinc/38/38/49/384383849.db2.gz ISYFCCAZAAUXMM-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO Cc1cc(N[C@H]2CO[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000402006577 384391272 /nfs/dbraw/zinc/39/12/72/384391272.db2.gz AGTNWBCRZVNISN-WDEREUQCSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000047597716 384457697 /nfs/dbraw/zinc/45/76/97/384457697.db2.gz AWTAZCLAYZRACV-MNOVXSKESA-N 1 2 236.319 1.228 20 0 BDADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(N)=O)s1 ZINC000121988435 384448045 /nfs/dbraw/zinc/44/80/45/384448045.db2.gz TXLQPPCZVDFMOO-QMMMGPOBSA-N 1 2 241.360 1.492 20 0 BDADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(N)=O)s1 ZINC000121988435 384448049 /nfs/dbraw/zinc/44/80/49/384448049.db2.gz TXLQPPCZVDFMOO-QMMMGPOBSA-N 1 2 241.360 1.492 20 0 BDADLO CC[C@]1(C)CN(Cc2[nH+]ccn2C)CCO1 ZINC000135591087 384452977 /nfs/dbraw/zinc/45/29/77/384452977.db2.gz UCBNKTODSWVTTA-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000135619554 384456334 /nfs/dbraw/zinc/45/63/34/384456334.db2.gz JDCKKFKTUDGCFG-SNVBAGLBSA-N 1 2 247.298 1.549 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000135619554 384456343 /nfs/dbraw/zinc/45/63/43/384456343.db2.gz JDCKKFKTUDGCFG-SNVBAGLBSA-N 1 2 247.298 1.549 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)C[C@@H]1F ZINC000335653212 384441017 /nfs/dbraw/zinc/44/10/17/384441017.db2.gz XUNDJZXTBPEQPP-XVKPBYJWSA-N 1 2 211.240 1.116 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000082784229 384444131 /nfs/dbraw/zinc/44/41/31/384444131.db2.gz INUAHAKOWJDEJP-QWRGUYRKSA-N 1 2 223.320 1.703 20 0 BDADLO CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000047676080 384460782 /nfs/dbraw/zinc/46/07/82/384460782.db2.gz FWAZETZHIGLTKS-UHFFFAOYSA-N 1 2 236.319 1.357 20 0 BDADLO CCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000078821449 384468470 /nfs/dbraw/zinc/46/84/70/384468470.db2.gz LFVDDYZJRMAXOB-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO C[C@H](Nc1[nH+]c2ccccc2n1C)C(=O)N(C)C ZINC000079045563 384483470 /nfs/dbraw/zinc/48/34/70/384483470.db2.gz HGHBIGNIFVZDNO-VIFPVBQESA-N 1 2 246.314 1.462 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000249002353 384458093 /nfs/dbraw/zinc/45/80/93/384458093.db2.gz YZDXVHSVNBTBKH-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000249002353 384458100 /nfs/dbraw/zinc/45/81/00/384458100.db2.gz YZDXVHSVNBTBKH-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1cc(=NCc2c[nH+]cn2C(C)C)[nH]o1 ZINC000566113983 384503701 /nfs/dbraw/zinc/50/37/01/384503701.db2.gz JKIFZCKEVLHGMG-UHFFFAOYSA-N 1 2 220.276 1.794 20 0 BDADLO CCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000170484496 384510065 /nfs/dbraw/zinc/51/00/65/384510065.db2.gz YIDPDROIGSUWEP-UHFFFAOYSA-N 1 2 213.306 1.553 20 0 BDADLO COc1ncncc1C[NH2+]Cc1c(C)noc1C ZINC000647176127 384489067 /nfs/dbraw/zinc/48/90/67/384489067.db2.gz VJMJSHIJBMHKAR-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122914318 384521991 /nfs/dbraw/zinc/52/19/91/384521991.db2.gz QMBOHGYOYMUYFP-MWLCHTKSSA-N 1 2 207.277 1.313 20 0 BDADLO CC(C)c1nc(N[C@H]2CC23CC3)cc[nH+]1 ZINC000335104032 384550278 /nfs/dbraw/zinc/55/02/78/384550278.db2.gz HRQRZCLYPKBRBW-VIFPVBQESA-N 1 2 203.289 1.986 20 0 BDADLO COc1ncccc1NCc1[nH]cc[nH+]1 ZINC000049715192 384559992 /nfs/dbraw/zinc/55/99/92/384559992.db2.gz TYIKJQCXPOHBEF-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000151222524 384562076 /nfs/dbraw/zinc/56/20/76/384562076.db2.gz UALNMIMBDVCWOR-KWQFWETISA-N 1 2 236.271 1.596 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCSC)[C@@H](C)CC ZINC000183571823 384539572 /nfs/dbraw/zinc/53/95/72/384539572.db2.gz AZVKJQLWDYVBHQ-UWVGGRQHSA-N 1 2 233.377 1.917 20 0 BDADLO O[C@H]1CCCC[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000569609529 384540570 /nfs/dbraw/zinc/54/05/70/384540570.db2.gz RNYBAUOMSGTXGT-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1CCCC[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000569609529 384540575 /nfs/dbraw/zinc/54/05/75/384540575.db2.gz RNYBAUOMSGTXGT-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2C)nc1 ZINC000335312149 384570389 /nfs/dbraw/zinc/57/03/89/384570389.db2.gz CXBZRWCAECCPNG-JTQLQIEISA-N 1 2 223.345 1.722 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2C)nc1 ZINC000335312149 384570397 /nfs/dbraw/zinc/57/03/97/384570397.db2.gz CXBZRWCAECCPNG-JTQLQIEISA-N 1 2 223.345 1.722 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccccc2)n1C ZINC000047540744 384570483 /nfs/dbraw/zinc/57/04/83/384570483.db2.gz SEFQSBDADZZJEI-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccccc2)n1C ZINC000047540744 384570493 /nfs/dbraw/zinc/57/04/93/384570493.db2.gz SEFQSBDADZZJEI-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@@H](O)CSCc1cn2ccccc2[nH+]1 ZINC000298268166 384572024 /nfs/dbraw/zinc/57/20/24/384572024.db2.gz OYGFNBLQFOZJOP-SECBINFHSA-N 1 2 222.313 1.948 20 0 BDADLO FC(F)(F)COCCCOCc1[nH]cc[nH+]1 ZINC000123697469 384578689 /nfs/dbraw/zinc/57/86/89/384578689.db2.gz ZKFZHCZTJXJSMT-UHFFFAOYSA-N 1 2 238.209 1.895 20 0 BDADLO Cn1c[nH+]cc1CNc1ccnc2cccnc21 ZINC000338721920 384609841 /nfs/dbraw/zinc/60/98/41/384609841.db2.gz AOYXGXSRTALIQT-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000561270103 384611494 /nfs/dbraw/zinc/61/14/94/384611494.db2.gz OVNBYXHGTBZXNH-IJLUTSLNSA-N 1 2 247.342 1.560 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H]2CCSC2)[nH]1 ZINC000428290374 384614821 /nfs/dbraw/zinc/61/48/21/384614821.db2.gz XLVDXNCNYXLSTJ-VIFPVBQESA-N 1 2 240.376 1.865 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCSC2)[nH]1 ZINC000428290374 384614832 /nfs/dbraw/zinc/61/48/32/384614832.db2.gz XLVDXNCNYXLSTJ-VIFPVBQESA-N 1 2 240.376 1.865 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)C[C@H]1CC=CCC1 ZINC000569622669 384620929 /nfs/dbraw/zinc/62/09/29/384620929.db2.gz HEPNORFZHFAWEW-JTQLQIEISA-N 1 2 248.330 1.860 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)C[C@H]1CC=CCC1 ZINC000569622669 384620934 /nfs/dbraw/zinc/62/09/34/384620934.db2.gz HEPNORFZHFAWEW-JTQLQIEISA-N 1 2 248.330 1.860 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(C)(C)C ZINC000331088433 384598409 /nfs/dbraw/zinc/59/84/09/384598409.db2.gz RYNULDVJIZTSLP-QMMMGPOBSA-N 1 2 209.293 1.708 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(C)(C)C ZINC000331088433 384598415 /nfs/dbraw/zinc/59/84/15/384598415.db2.gz RYNULDVJIZTSLP-QMMMGPOBSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1scnc1C ZINC000173361576 384676391 /nfs/dbraw/zinc/67/63/91/384676391.db2.gz RHNQWQUFBZKYNZ-VIFPVBQESA-N 1 2 242.344 1.835 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1scnc1C ZINC000173361576 384676395 /nfs/dbraw/zinc/67/63/95/384676395.db2.gz RHNQWQUFBZKYNZ-VIFPVBQESA-N 1 2 242.344 1.835 20 0 BDADLO CC[N@H+](CCO)Cc1c(C)nn(C)c1Cl ZINC000037900115 384640111 /nfs/dbraw/zinc/64/01/11/384640111.db2.gz HKNUHDFHPHUIKS-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO CC[N@@H+](CCO)Cc1c(C)nn(C)c1Cl ZINC000037900115 384640119 /nfs/dbraw/zinc/64/01/19/384640119.db2.gz HKNUHDFHPHUIKS-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO FC(F)Cn1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000124541515 384647988 /nfs/dbraw/zinc/64/79/88/384647988.db2.gz OOVFOSDAMVZRTE-UHFFFAOYSA-N 1 2 227.218 1.483 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCC(C)(F)F ZINC000294102676 384660375 /nfs/dbraw/zinc/66/03/75/384660375.db2.gz CCKNTZPKRVGJHL-UHFFFAOYSA-N 1 2 203.236 1.853 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(CO)o1 ZINC000556959310 384692538 /nfs/dbraw/zinc/69/25/38/384692538.db2.gz PSVVBZYBFSEQEZ-LLVKDONJSA-N 1 2 238.331 1.298 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(CO)o1 ZINC000556959310 384692541 /nfs/dbraw/zinc/69/25/41/384692541.db2.gz PSVVBZYBFSEQEZ-LLVKDONJSA-N 1 2 238.331 1.298 20 0 BDADLO COC[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000234677219 384713145 /nfs/dbraw/zinc/71/31/45/384713145.db2.gz BDHKGRKEXQFVGZ-LLVKDONJSA-N 1 2 232.283 1.654 20 0 BDADLO Nc1ccc(NC(=O)C[C@H]2CCCO2)c[nH+]1 ZINC000083524499 384778456 /nfs/dbraw/zinc/77/84/56/384778456.db2.gz MOVXPTXNMLXWLP-SECBINFHSA-N 1 2 221.260 1.171 20 0 BDADLO CCc1cc(N)nc(SCCC(=O)OC)[nH+]1 ZINC000279015135 384732779 /nfs/dbraw/zinc/73/27/79/384732779.db2.gz AZLBLDBEBCWDPG-UHFFFAOYSA-N 1 2 241.316 1.276 20 0 BDADLO CCCC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000336663759 384736499 /nfs/dbraw/zinc/73/64/99/384736499.db2.gz CVZRVSHSWSAITJ-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CC(C)(C)c1nc(=N[C@@H]2CC[C@H](C[NH3+])C2)[nH]o1 ZINC000518144062 384737398 /nfs/dbraw/zinc/73/73/98/384737398.db2.gz LHABSKYGHOSMCA-DTWKUNHWSA-N 1 2 238.335 1.328 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000368562711 384747406 /nfs/dbraw/zinc/74/74/06/384747406.db2.gz RHLOPANFFJDJTB-QMMMGPOBSA-N 1 2 243.257 1.391 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CC1 ZINC000449654161 384827008 /nfs/dbraw/zinc/82/70/08/384827008.db2.gz UYHCXXZYADRYMF-WPRPVWTQSA-N 1 2 246.301 1.394 20 0 BDADLO CCC[C@@H](OCC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000528534309 384831759 /nfs/dbraw/zinc/83/17/59/384831759.db2.gz PSYUMDYDFOVTQH-GFCCVEGCSA-N 1 2 236.315 1.956 20 0 BDADLO CCc1cc(N)nc(S[C@@H](C)C(C)=O)[nH+]1 ZINC000279085240 384789136 /nfs/dbraw/zinc/78/91/36/384789136.db2.gz MMXKYNHPEIPCJZ-ZETCQYMHSA-N 1 2 225.317 1.691 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)C(=O)OC ZINC000310025177 384790678 /nfs/dbraw/zinc/79/06/78/384790678.db2.gz OWOZKFWAPFQLMF-UKKRHICBSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1nccn1C ZINC000126760359 384801655 /nfs/dbraw/zinc/80/16/55/384801655.db2.gz ZBANWLNYZBXUHY-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(F)F ZINC000517757964 384877843 /nfs/dbraw/zinc/87/78/43/384877843.db2.gz XFWGFRBBWRYZQE-QMMMGPOBSA-N 1 2 234.290 1.488 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636454247 384883046 /nfs/dbraw/zinc/88/30/46/384883046.db2.gz ZDRSXKIMVNMYKL-ZJUUUORDSA-N 1 2 236.319 1.296 20 0 BDADLO C[C@H](N[C@@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000335277488 384886820 /nfs/dbraw/zinc/88/68/20/384886820.db2.gz IDDQVQJHPRRFAD-NKWVEPMBSA-N 1 2 219.210 1.868 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1csnn1 ZINC000398286183 384886819 /nfs/dbraw/zinc/88/68/19/384886819.db2.gz YTKJBHWWYHREMW-SSDOTTSWSA-N 1 2 223.305 1.420 20 0 BDADLO FC(F)C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000147347013 384838631 /nfs/dbraw/zinc/83/86/31/384838631.db2.gz VTPCPVXVWUNQLL-UHFFFAOYSA-N 1 2 229.226 1.813 20 0 BDADLO Cc1c(-c2cc(Cn3cc[nH+]c3)on2)cnn1C ZINC000186356501 384840059 /nfs/dbraw/zinc/84/00/59/384840059.db2.gz QIMLHQZTHHLFGG-UHFFFAOYSA-N 1 2 243.270 1.628 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC2CC2)C1 ZINC000518244641 384843118 /nfs/dbraw/zinc/84/31/18/384843118.db2.gz XSEWVURIINBSHU-LBPRGKRZSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000449663758 384851024 /nfs/dbraw/zinc/85/10/24/384851024.db2.gz PADCBGWROFQUSO-DCAQKATOSA-N 1 2 229.320 1.484 20 0 BDADLO CC[C@H](CO)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000294127008 384861165 /nfs/dbraw/zinc/86/11/65/384861165.db2.gz OHYMCOJQIXBRHW-SECBINFHSA-N 1 2 219.288 1.770 20 0 BDADLO COC(=O)CCCCCNc1cc[nH+]c(C)n1 ZINC000054937329 384863171 /nfs/dbraw/zinc/86/31/71/384863171.db2.gz QORWZUMYQZESPI-UHFFFAOYSA-N 1 2 237.303 1.930 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCC2(CC2)C1 ZINC000521068338 384954088 /nfs/dbraw/zinc/95/40/88/384954088.db2.gz VDZMKWSYSSCDSU-UHFFFAOYSA-N 1 2 234.303 1.448 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCC2(CC2)C1 ZINC000521068338 384954094 /nfs/dbraw/zinc/95/40/94/384954094.db2.gz VDZMKWSYSSCDSU-UHFFFAOYSA-N 1 2 234.303 1.448 20 0 BDADLO C[C@@H]1CCCN1C(=O)NCc1c[nH+]cn1C ZINC000291771672 384890376 /nfs/dbraw/zinc/89/03/76/384890376.db2.gz FPBQGPJGOGWIQT-SECBINFHSA-N 1 2 222.292 1.114 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000261326510 384976723 /nfs/dbraw/zinc/97/67/23/384976723.db2.gz QBWPIXJZYQTBHP-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000261326510 384976735 /nfs/dbraw/zinc/97/67/35/384976735.db2.gz QBWPIXJZYQTBHP-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO O=C1NC[C@@H]2C[N@H+](Cc3cccc(F)c3)CCN12 ZINC000175901658 384979389 /nfs/dbraw/zinc/97/93/89/384979389.db2.gz XPPAEIYMIWHBQY-GFCCVEGCSA-N 1 2 249.289 1.035 20 0 BDADLO O=C1NC[C@@H]2C[N@@H+](Cc3cccc(F)c3)CCN12 ZINC000175901658 384979394 /nfs/dbraw/zinc/97/93/94/384979394.db2.gz XPPAEIYMIWHBQY-GFCCVEGCSA-N 1 2 249.289 1.035 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n(C)n1 ZINC000557516387 384997102 /nfs/dbraw/zinc/99/71/02/384997102.db2.gz UNGWPTIBKRKJMP-SNVBAGLBSA-N 1 2 236.319 1.007 20 0 BDADLO CC1(C)CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000530629101 384999618 /nfs/dbraw/zinc/99/96/18/384999618.db2.gz DBILUVLALRBXOA-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1cc[nH]c(=O)c1 ZINC000339458616 385000256 /nfs/dbraw/zinc/00/02/56/385000256.db2.gz VQJLFVPMLHGEIC-MRVPVSSYSA-N 1 2 218.260 1.361 20 0 BDADLO Cc1c(C(=O)Nc2cc[nH+]cc2C)cnn1C ZINC000107293024 384961997 /nfs/dbraw/zinc/96/19/97/384961997.db2.gz ZXSPKFVBMDYZEQ-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H](C)O1 ZINC000188394945 385047844 /nfs/dbraw/zinc/04/78/44/385047844.db2.gz YINRBKVDRMDRMB-YPMHNXCESA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H](C)O1 ZINC000188394945 385047850 /nfs/dbraw/zinc/04/78/50/385047850.db2.gz YINRBKVDRMDRMB-YPMHNXCESA-N 1 2 239.315 1.824 20 0 BDADLO C[C@H](CCO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000152291683 385054140 /nfs/dbraw/zinc/05/41/40/385054140.db2.gz OTZAVMNBHRCJNX-MRVPVSSYSA-N 1 2 232.287 1.395 20 0 BDADLO CCc1cc(N)nc(SC[C@H](C)OC)[nH+]1 ZINC000279151391 385054048 /nfs/dbraw/zinc/05/40/48/385054048.db2.gz ZWRKNHBNNFNUFR-ZETCQYMHSA-N 1 2 227.333 1.748 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCCC[C@@H]2C)[nH+]1 ZINC000408362311 385030593 /nfs/dbraw/zinc/03/05/93/385030593.db2.gz NIPFZCBIOCGJFA-GXSJLCMTSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000408362311 385030604 /nfs/dbraw/zinc/03/06/04/385030604.db2.gz NIPFZCBIOCGJFA-GXSJLCMTSA-N 1 2 249.362 1.659 20 0 BDADLO CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000058872607 385032426 /nfs/dbraw/zinc/03/24/26/385032426.db2.gz RTAZIHXDCPLBQS-UHFFFAOYSA-N 1 2 225.317 1.697 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cn[nH]c2C)CC[C@@H]1C ZINC000188293790 385035152 /nfs/dbraw/zinc/03/51/52/385035152.db2.gz OPQVPKFVCNNYAN-JOYOIKCWSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cn[nH]c2C)CC[C@@H]1C ZINC000188293790 385035157 /nfs/dbraw/zinc/03/51/57/385035157.db2.gz OPQVPKFVCNNYAN-JOYOIKCWSA-N 1 2 223.320 1.575 20 0 BDADLO Cn1ncc2c1nc[nH+]c2S[C@@H]1CCOC1 ZINC000188287676 385035399 /nfs/dbraw/zinc/03/53/99/385035399.db2.gz UPEVHKQINOAWDD-SSDOTTSWSA-N 1 2 236.300 1.244 20 0 BDADLO CCS(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000644636705 385037854 /nfs/dbraw/zinc/03/78/54/385037854.db2.gz XYSJHYLLXIQUJB-UHFFFAOYSA-N 1 2 240.328 1.394 20 0 BDADLO CCS(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000644636705 385037858 /nfs/dbraw/zinc/03/78/58/385037858.db2.gz XYSJHYLLXIQUJB-UHFFFAOYSA-N 1 2 240.328 1.394 20 0 BDADLO C[C@H](CC(=O)NCc1ccncc1)n1cc[nH+]c1 ZINC000565307689 385040335 /nfs/dbraw/zinc/04/03/35/385040335.db2.gz NNGVCZXZNYHEBU-LLVKDONJSA-N 1 2 244.298 1.546 20 0 BDADLO CC(=O)[C@@H](C)CSc1nc(N)cc(C)[nH+]1 ZINC000088495741 385117859 /nfs/dbraw/zinc/11/78/59/385117859.db2.gz DUILTPTTZKSRBK-LURJTMIESA-N 1 2 225.317 1.684 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CCCOC2)c[nH+]1 ZINC000061680264 385131542 /nfs/dbraw/zinc/13/15/42/385131542.db2.gz LMVKIJRIXBOGKL-QMMMGPOBSA-N 1 2 221.260 1.029 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)c(C)c1 ZINC000279481497 385134897 /nfs/dbraw/zinc/13/48/97/385134897.db2.gz KVTJKNDLGJKXKZ-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644717179 385135867 /nfs/dbraw/zinc/13/58/67/385135867.db2.gz YXCGJQXLQSVGTI-BDAKNGLRSA-N 1 2 210.302 1.425 20 0 BDADLO Cc1ncsc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644717179 385135874 /nfs/dbraw/zinc/13/58/74/385135874.db2.gz YXCGJQXLQSVGTI-BDAKNGLRSA-N 1 2 210.302 1.425 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCOC[C@H]2C)[nH]1 ZINC000644678423 385090445 /nfs/dbraw/zinc/09/04/45/385090445.db2.gz JNWPFBOVBCJRBC-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCOC[C@H]2C)[nH]1 ZINC000644678423 385090449 /nfs/dbraw/zinc/09/04/49/385090449.db2.gz JNWPFBOVBCJRBC-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CCC[C@@H]([NH2+]CCC1(O)CCC1)C(=O)OCC ZINC000340623554 385092433 /nfs/dbraw/zinc/09/24/33/385092433.db2.gz OBBFMKBFJPJMRB-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO COC(=O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189294279 385140993 /nfs/dbraw/zinc/14/09/93/385140993.db2.gz PHKIVRGCHXBQGA-UHFFFAOYSA-N 1 2 233.311 1.823 20 0 BDADLO COC(=O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189294279 385140996 /nfs/dbraw/zinc/14/09/96/385140996.db2.gz PHKIVRGCHXBQGA-UHFFFAOYSA-N 1 2 233.311 1.823 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000341021930 385102807 /nfs/dbraw/zinc/10/28/07/385102807.db2.gz XBALASGYKQHRJN-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000341021930 385102814 /nfs/dbraw/zinc/10/28/14/385102814.db2.gz XBALASGYKQHRJN-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@](C)(O)c1ccccc1 ZINC000177152239 385191821 /nfs/dbraw/zinc/19/18/21/385191821.db2.gz DLKVZGPCWUIQIR-CYBMUJFWSA-N 1 2 246.314 1.144 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@](C)(O)c1ccccc1 ZINC000177152239 385191831 /nfs/dbraw/zinc/19/18/31/385191831.db2.gz DLKVZGPCWUIQIR-CYBMUJFWSA-N 1 2 246.314 1.144 20 0 BDADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C)o1 ZINC000189937563 385199910 /nfs/dbraw/zinc/19/99/10/385199910.db2.gz HYLLSKZOBHGHEG-IUCAKERBSA-N 1 2 235.291 1.523 20 0 BDADLO Cc1ccc(NC(=O)N2CCC[C@@H]2CO)c(C)[nH+]1 ZINC000152251609 385168900 /nfs/dbraw/zinc/16/89/00/385168900.db2.gz JXAOTQHMNGMWNB-LLVKDONJSA-N 1 2 249.314 1.687 20 0 BDADLO CC[C@H](O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000648313558 385172219 /nfs/dbraw/zinc/17/22/19/385172219.db2.gz BPLHBXRYFIDQFW-JTQLQIEISA-N 1 2 233.271 1.434 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCCC2(CC2)C1 ZINC000292076563 385208856 /nfs/dbraw/zinc/20/88/56/385208856.db2.gz TWYGLERKUATZQB-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO FC(F)COCCSCCn1cc[nH+]c1 ZINC000190093521 385210864 /nfs/dbraw/zinc/21/08/64/385210864.db2.gz HRTLBOMCYUMOPW-UHFFFAOYSA-N 1 2 236.287 1.898 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cnco1 ZINC000647068615 385215748 /nfs/dbraw/zinc/21/57/48/385215748.db2.gz MKCFALXAOHKKHC-UHFFFAOYSA-N 1 2 233.227 1.008 20 0 BDADLO C[C@@H]1COCCN1c1cc[nH+]c(C2CC2)n1 ZINC000110129097 385215947 /nfs/dbraw/zinc/21/59/47/385215947.db2.gz XVSBWWRHWDJTCJ-SECBINFHSA-N 1 2 219.288 1.579 20 0 BDADLO CCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152856384 385218343 /nfs/dbraw/zinc/21/83/43/385218343.db2.gz VHWBEMBYIRRJEB-GFCCVEGCSA-N 1 2 247.342 1.967 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000063218609 385218393 /nfs/dbraw/zinc/21/83/93/385218393.db2.gz LXPQUEYMQXOLOB-AWEZNQCLSA-N 1 2 245.326 1.411 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000292130315 385239030 /nfs/dbraw/zinc/23/90/30/385239030.db2.gz XMDFDRXKQPTLPY-GHMZBOCLSA-N 1 2 248.330 1.362 20 0 BDADLO C[C@@H](O)C[N@H+](CCO)Cc1c(F)cccc1F ZINC000289702211 385244096 /nfs/dbraw/zinc/24/40/96/385244096.db2.gz HMUAKSZRLFRYGU-SECBINFHSA-N 1 2 245.269 1.140 20 0 BDADLO C[C@@H](O)C[N@@H+](CCO)Cc1c(F)cccc1F ZINC000289702211 385244102 /nfs/dbraw/zinc/24/41/02/385244102.db2.gz HMUAKSZRLFRYGU-SECBINFHSA-N 1 2 245.269 1.140 20 0 BDADLO Fc1ccc(C[NH2+]Cc2cocn2)nc1 ZINC000308894114 385246886 /nfs/dbraw/zinc/24/68/86/385246886.db2.gz ZALZPBMJSCDLST-UHFFFAOYSA-N 1 2 207.208 1.499 20 0 BDADLO CC(C)n1nccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000153333377 385247263 /nfs/dbraw/zinc/24/72/63/385247263.db2.gz AOJABVNEZQKAMZ-UHFFFAOYSA-N 1 2 248.290 1.509 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290845768 385255819 /nfs/dbraw/zinc/25/58/19/385255819.db2.gz ZNWIKTPBGDDTFE-MWLCHTKSSA-N 1 2 236.319 1.408 20 0 BDADLO CC(=O)OC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000157523229 385205163 /nfs/dbraw/zinc/20/51/63/385205163.db2.gz FNTSVMNOXATERU-UHFFFAOYSA-N 1 2 235.287 1.317 20 0 BDADLO Cc1cnc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000063048799 385205686 /nfs/dbraw/zinc/20/56/86/385205686.db2.gz QSYWSHYUSNCSHR-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CSc3ccccc32)nn1 ZINC000336380462 385302242 /nfs/dbraw/zinc/30/22/42/385302242.db2.gz ZFADLVQEJKFEJX-LLVKDONJSA-N 1 2 246.339 1.752 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C(=O)OC ZINC000308938940 385305744 /nfs/dbraw/zinc/30/57/44/385305744.db2.gz LQLVTGASQUUUFQ-NKWVEPMBSA-N 1 2 227.226 1.726 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C(=O)OC ZINC000308938943 385305893 /nfs/dbraw/zinc/30/58/93/385305893.db2.gz LQLVTGASQUUUFQ-RNFRBKRXSA-N 1 2 227.226 1.726 20 0 BDADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCCS1 ZINC000154184040 385308303 /nfs/dbraw/zinc/30/83/03/385308303.db2.gz DGWPQRWLQHHSKG-LLVKDONJSA-N 1 2 239.344 1.285 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CC[C@@H]1CCCO1 ZINC000308963116 385316185 /nfs/dbraw/zinc/31/61/85/385316185.db2.gz SQCFRTTUSROFMB-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cncs1 ZINC000131196507 385317520 /nfs/dbraw/zinc/31/75/20/385317520.db2.gz UPWSRERKIZSABB-XLKFXECMSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cncs1 ZINC000131196507 385317525 /nfs/dbraw/zinc/31/75/25/385317525.db2.gz UPWSRERKIZSABB-XLKFXECMSA-N 1 2 232.374 1.342 20 0 BDADLO CCC(O)(CC)CNc1nc[nH+]c(N)c1Cl ZINC000227849009 385261688 /nfs/dbraw/zinc/26/16/88/385261688.db2.gz KTLLTQBOVJAJNI-UHFFFAOYSA-N 1 2 244.726 1.675 20 0 BDADLO CCC(O)(CC)CNc1[nH+]cnc(N)c1Cl ZINC000227849009 385261707 /nfs/dbraw/zinc/26/17/07/385261707.db2.gz KTLLTQBOVJAJNI-UHFFFAOYSA-N 1 2 244.726 1.675 20 0 BDADLO C[C@@H](CNC(=O)C1=COCCC1)Cn1cc[nH+]c1 ZINC000153701780 385274171 /nfs/dbraw/zinc/27/41/71/385274171.db2.gz BAIFWDXLPYLQKP-NSHDSACASA-N 1 2 249.314 1.330 20 0 BDADLO c1cn(C2CC[NH+](Cc3cocn3)CC2)cn1 ZINC000191070377 385280121 /nfs/dbraw/zinc/28/01/21/385280121.db2.gz JCMKTUFKCDISHP-UHFFFAOYSA-N 1 2 232.287 1.708 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOC[C@H](C)C2)o1 ZINC000407980336 385281388 /nfs/dbraw/zinc/28/13/88/385281388.db2.gz IJCIMBGIMFVZME-BDAKNGLRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOC[C@H](C)C2)o1 ZINC000407980336 385281394 /nfs/dbraw/zinc/28/13/94/385281394.db2.gz IJCIMBGIMFVZME-BDAKNGLRSA-N 1 2 225.292 1.407 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H]1C1CC1)C1CC1 ZINC000308908130 385284762 /nfs/dbraw/zinc/28/47/62/385284762.db2.gz CZUTYQYVJHCXBX-GARJFASQSA-N 1 2 209.289 1.326 20 0 BDADLO CCCC(C)(C)NC(=O)NCc1c[nH+]cn1C ZINC000292214923 385290694 /nfs/dbraw/zinc/29/06/94/385290694.db2.gz DLSKNZNBORVEKF-UHFFFAOYSA-N 1 2 238.335 1.798 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)no1 ZINC000158079131 385335205 /nfs/dbraw/zinc/33/52/05/385335205.db2.gz HIPYBXRBHRNGTA-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO CN(C[C@@H]1CCOC1)c1nc[nH+]c(N)c1Cl ZINC000273117146 385344848 /nfs/dbraw/zinc/34/48/48/385344848.db2.gz PATKOJXEZZFQAB-ZETCQYMHSA-N 1 2 242.710 1.185 20 0 BDADLO CN(C[C@@H]1CCOC1)c1[nH+]cnc(N)c1Cl ZINC000273117146 385344850 /nfs/dbraw/zinc/34/48/50/385344850.db2.gz PATKOJXEZZFQAB-ZETCQYMHSA-N 1 2 242.710 1.185 20 0 BDADLO Cn1ncc(Br)c1C[NH2+]CCF ZINC000280663868 385348967 /nfs/dbraw/zinc/34/89/67/385348967.db2.gz LKISLQSEGOUXQD-UHFFFAOYSA-N 1 2 236.088 1.242 20 0 BDADLO CCOc1cc(C[NH+]2CCOCC2)ccc1O ZINC000131865094 385364659 /nfs/dbraw/zinc/36/46/59/385364659.db2.gz DNQIVKUEERNADJ-UHFFFAOYSA-N 1 2 237.299 1.623 20 0 BDADLO CS[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154925086 385365543 /nfs/dbraw/zinc/36/55/43/385365543.db2.gz NDYZKFGHFJTWSR-SNVBAGLBSA-N 1 2 241.360 1.483 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000364339218 385368587 /nfs/dbraw/zinc/36/85/87/385368587.db2.gz NYJLAFVODNQHPC-SECBINFHSA-N 1 2 245.286 1.116 20 0 BDADLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)[nH]n1 ZINC000155024550 385369992 /nfs/dbraw/zinc/36/99/92/385369992.db2.gz QVQHNEIKYZTZTE-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)n[nH]1 ZINC000155024550 385369996 /nfs/dbraw/zinc/36/99/96/385369996.db2.gz QVQHNEIKYZTZTE-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO COC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110111815 385380618 /nfs/dbraw/zinc/38/06/18/385380618.db2.gz KGESRQMBDZLZAB-QMMMGPOBSA-N 1 2 207.277 1.801 20 0 BDADLO CCc1cnc(C[N@H+](CC)CCOC)o1 ZINC000558134269 385325229 /nfs/dbraw/zinc/32/52/29/385325229.db2.gz OSQGIXRWQZVYQE-UHFFFAOYSA-N 1 2 212.293 1.705 20 0 BDADLO CCc1cnc(C[N@@H+](CC)CCOC)o1 ZINC000558134269 385325232 /nfs/dbraw/zinc/32/52/32/385325232.db2.gz OSQGIXRWQZVYQE-UHFFFAOYSA-N 1 2 212.293 1.705 20 0 BDADLO COC(=O)[C@@H](C)SCCCn1cc[nH+]c1 ZINC000154452060 385328251 /nfs/dbraw/zinc/32/82/51/385328251.db2.gz FWKDIYLWQLFBPZ-SECBINFHSA-N 1 2 228.317 1.568 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H](OC)C1CC1)C1CC1 ZINC000400249719 385397984 /nfs/dbraw/zinc/39/79/84/385397984.db2.gz NIVZYAYWFTWWPF-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H](OC)C1CC1)C1CC1 ZINC000400249719 385397989 /nfs/dbraw/zinc/39/79/89/385397989.db2.gz NIVZYAYWFTWWPF-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)[C@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178649382 385404093 /nfs/dbraw/zinc/40/40/93/385404093.db2.gz JWVUBIBLHJKACF-LLVKDONJSA-N 1 2 247.298 1.081 20 0 BDADLO Cc1nc(NC[C@@H](CO)C(C)C)cc[nH+]1 ZINC000309084642 385410933 /nfs/dbraw/zinc/41/09/33/385410933.db2.gz VRTAJNSLBATGFD-JTQLQIEISA-N 1 2 209.293 1.461 20 0 BDADLO CCOCC[NH2+][C@@H](C(=O)OCC)[C@H](C)CC ZINC000181636607 385411645 /nfs/dbraw/zinc/41/16/45/385411645.db2.gz ICKILOMRUXSBGR-GHMZBOCLSA-N 1 2 231.336 1.590 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182364908 385442315 /nfs/dbraw/zinc/44/23/15/385442315.db2.gz DGPSHUNXJMYYGC-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1c[nH+]c(CNCc2ccco2)n1C ZINC000309163926 385445229 /nfs/dbraw/zinc/44/52/29/385445229.db2.gz IDGUHXMOQDXGJH-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccco2)n1C ZINC000309163926 385445230 /nfs/dbraw/zinc/44/52/30/385445230.db2.gz IDGUHXMOQDXGJH-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000179155237 385446959 /nfs/dbraw/zinc/44/69/59/385446959.db2.gz GWSYGUSQMQUFEF-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000179155237 385446962 /nfs/dbraw/zinc/44/69/62/385446962.db2.gz GWSYGUSQMQUFEF-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO O=C(CCCC1CC1)NCC[NH+]1CCOCC1 ZINC000643124408 385451142 /nfs/dbraw/zinc/45/11/42/385451142.db2.gz QQGGWXHVKSBTAF-UHFFFAOYSA-N 1 2 240.347 1.015 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000179214334 385452273 /nfs/dbraw/zinc/45/22/73/385452273.db2.gz DMLIGNLUPKQQNN-SNVBAGLBSA-N 1 2 249.343 1.572 20 0 BDADLO c1csc(C[N@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000179214334 385452277 /nfs/dbraw/zinc/45/22/77/385452277.db2.gz DMLIGNLUPKQQNN-SNVBAGLBSA-N 1 2 249.343 1.572 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(F)n1 ZINC000492871735 385456597 /nfs/dbraw/zinc/45/65/97/385456597.db2.gz XXBCDXXEJDTYRJ-SNAWJCMRSA-N 1 2 246.245 1.273 20 0 BDADLO Nc1nnc(SCCn2cc[nH+]c2)s1 ZINC000020254143 385456607 /nfs/dbraw/zinc/45/66/07/385456607.db2.gz IATOEKZMZAGOAX-UHFFFAOYSA-N 1 2 227.318 1.109 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cccnc1 ZINC000309121479 385426820 /nfs/dbraw/zinc/42/68/20/385426820.db2.gz NZWIOSVUSNRYCR-MRVPVSSYSA-N 1 2 203.249 1.051 20 0 BDADLO Cc1nc(N2C[C@@H](O)C3(CC3)C2)c(C)c(C)[nH+]1 ZINC000364414963 385427440 /nfs/dbraw/zinc/42/74/40/385427440.db2.gz HMBKBXZBWFIWAN-LLVKDONJSA-N 1 2 233.315 1.363 20 0 BDADLO O=C1NCC[C@@H]1Sc1[nH+]cc2ccccn21 ZINC000178999665 385433052 /nfs/dbraw/zinc/43/30/52/385433052.db2.gz IGYHSSGMEOQULB-VIFPVBQESA-N 1 2 233.296 1.315 20 0 BDADLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000194425479 385433974 /nfs/dbraw/zinc/43/39/74/385433974.db2.gz SZVDPPVGLIVKFJ-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000182179340 385434250 /nfs/dbraw/zinc/43/42/50/385434250.db2.gz OBTIKKBKMSKZGE-MWLCHTKSSA-N 1 2 217.309 1.343 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](C)OC)C(=O)OC ZINC000182179380 385434786 /nfs/dbraw/zinc/43/47/86/385434786.db2.gz OBTIKKBKMSKZGE-GXSJLCMTSA-N 1 2 217.309 1.343 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000194432851 385435665 /nfs/dbraw/zinc/43/56/65/385435665.db2.gz UESZGHNALHNKGJ-LBPRGKRZSA-N 1 2 243.314 1.200 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000194432851 385435668 /nfs/dbraw/zinc/43/56/68/385435668.db2.gz UESZGHNALHNKGJ-LBPRGKRZSA-N 1 2 243.314 1.200 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364432670 385438020 /nfs/dbraw/zinc/43/80/20/385438020.db2.gz CZCYAUURRILTAT-MNOVXSKESA-N 1 2 241.331 1.175 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364432670 385438023 /nfs/dbraw/zinc/43/80/23/385438023.db2.gz CZCYAUURRILTAT-MNOVXSKESA-N 1 2 241.331 1.175 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000182725285 385471313 /nfs/dbraw/zinc/47/13/13/385471313.db2.gz SVBHQAPKLAREGV-LLVKDONJSA-N 1 2 243.310 1.872 20 0 BDADLO Cc1nc(N2CC[C@H](CC(C)C)C2)nc(N)[nH+]1 ZINC000307838322 385475270 /nfs/dbraw/zinc/47/52/70/385475270.db2.gz SDEDFISRGIHZFR-SNVBAGLBSA-N 1 2 235.335 1.635 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](CC(C)C)C2)[nH+]1 ZINC000307838322 385475276 /nfs/dbraw/zinc/47/52/76/385475276.db2.gz SDEDFISRGIHZFR-SNVBAGLBSA-N 1 2 235.335 1.635 20 0 BDADLO Cl/C=C/C[NH+]1CCN(c2cccnn2)CC1 ZINC000171351341 385479897 /nfs/dbraw/zinc/47/98/97/385479897.db2.gz NCFNTWSMEAWOAH-DUXPYHPUSA-N 1 2 238.722 1.351 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000378672670 385460255 /nfs/dbraw/zinc/46/02/55/385460255.db2.gz LOELFAKLPJMINY-HTRCEHHLSA-N 1 2 247.751 1.849 20 0 BDADLO CCSCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904916 385460794 /nfs/dbraw/zinc/46/07/94/385460794.db2.gz YCJWEFSGUSEBLY-PLNGDYQASA-N 1 2 239.344 1.682 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000156620656 385462933 /nfs/dbraw/zinc/46/29/33/385462933.db2.gz VENFJYXFYKJLOZ-HYYFJVDXSA-N 1 2 226.711 1.705 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1C/C=C/Cl ZINC000156620656 385462935 /nfs/dbraw/zinc/46/29/35/385462935.db2.gz VENFJYXFYKJLOZ-HYYFJVDXSA-N 1 2 226.711 1.705 20 0 BDADLO CC[C@@H](CNC(=O)CCCn1cc[nH+]c1)OC ZINC000642996784 385494716 /nfs/dbraw/zinc/49/47/16/385494716.db2.gz KXBWBDNNJRIOPD-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO FC(F)(F)CN1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179843615 385494944 /nfs/dbraw/zinc/49/49/44/385494944.db2.gz SQLUQVOZTUANBF-UHFFFAOYSA-N 1 2 248.252 1.090 20 0 BDADLO FC(F)(F)CN1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179843615 385494947 /nfs/dbraw/zinc/49/49/47/385494947.db2.gz SQLUQVOZTUANBF-UHFFFAOYSA-N 1 2 248.252 1.090 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCO[C@@H](C)C3)n2c1 ZINC000179870287 385496400 /nfs/dbraw/zinc/49/64/00/385496400.db2.gz UHJWUXOSGBIQDH-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1c[nH+]c[nH]1 ZINC000179969005 385501494 /nfs/dbraw/zinc/50/14/94/385501494.db2.gz JECFMFPJMCFGMX-SECBINFHSA-N 1 2 239.319 1.572 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1c[nH]c[nH+]1 ZINC000179969005 385501497 /nfs/dbraw/zinc/50/14/97/385501497.db2.gz JECFMFPJMCFGMX-SECBINFHSA-N 1 2 239.319 1.572 20 0 BDADLO CC(C)n1ccc(COCc2[nH]cc[nH+]2)n1 ZINC000180053961 385505478 /nfs/dbraw/zinc/50/54/78/385505478.db2.gz XMTRVURRMFBDLX-UHFFFAOYSA-N 1 2 220.276 1.904 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000157502287 385505537 /nfs/dbraw/zinc/50/55/37/385505537.db2.gz LFFJKQHZKZVSEN-YPMHNXCESA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccncc1 ZINC000157502287 385505544 /nfs/dbraw/zinc/50/55/44/385505544.db2.gz LFFJKQHZKZVSEN-YPMHNXCESA-N 1 2 236.315 1.053 20 0 BDADLO CC(C)c1nc(N2CCOC[C@@H]2C)cc[nH+]1 ZINC000106464269 385509220 /nfs/dbraw/zinc/50/92/20/385509220.db2.gz QFZKRNMKOLRDPG-JTQLQIEISA-N 1 2 221.304 1.825 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCO[C@H]2C[C@H]21 ZINC000644136095 385513402 /nfs/dbraw/zinc/51/34/02/385513402.db2.gz LGRXKZZMDBCBKE-NEPJUHHUSA-N 1 2 229.283 1.551 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000616927875 385489338 /nfs/dbraw/zinc/48/93/38/385489338.db2.gz RYUBMFOIWIWBKW-JTQLQIEISA-N 1 2 237.303 1.326 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000616927875 385489342 /nfs/dbraw/zinc/48/93/42/385489342.db2.gz RYUBMFOIWIWBKW-JTQLQIEISA-N 1 2 237.303 1.326 20 0 BDADLO c1cn(-c2cc(N3CC(C4CC4)C3)ncn2)c[nH+]1 ZINC000643170153 385544281 /nfs/dbraw/zinc/54/42/81/385544281.db2.gz BRYPSMCHUHHINL-UHFFFAOYSA-N 1 2 241.298 1.509 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@](C)(F)C1 ZINC000334418120 385546668 /nfs/dbraw/zinc/54/66/68/385546668.db2.gz YMAILALIYSCKAO-LLVKDONJSA-N 1 2 240.282 1.064 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)OCC2CC2)C1 ZINC000364815126 385520683 /nfs/dbraw/zinc/52/06/83/385520683.db2.gz VMAVLPIBCPKFTB-LLVKDONJSA-N 1 2 249.314 1.756 20 0 BDADLO COC(=O)COC[C@@H](C)Nc1ccc[nH+]c1C ZINC000294936004 385521755 /nfs/dbraw/zinc/52/17/55/385521755.db2.gz BMXTZHYNBWKIFR-SECBINFHSA-N 1 2 238.287 1.380 20 0 BDADLO CCC[C@@](C)([NH2+]CCSC)C(=O)OC ZINC000172238440 385525729 /nfs/dbraw/zinc/52/57/29/385525729.db2.gz XFUUFDNYSYVTLG-SNVBAGLBSA-N 1 2 219.350 1.671 20 0 BDADLO COC(=O)COC[C@H](C)Nc1c[nH+]ccc1C ZINC000295799518 385528725 /nfs/dbraw/zinc/52/87/25/385528725.db2.gz SQDVKVQVLPGNQB-JTQLQIEISA-N 1 2 238.287 1.380 20 0 BDADLO CC(C)c1nc(N[C@H]2[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000309393824 385560896 /nfs/dbraw/zinc/56/08/96/385560896.db2.gz GHTLRTRIVZZABS-JZYVYDRUSA-N 1 2 219.288 1.657 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493380704 385570078 /nfs/dbraw/zinc/57/00/78/385570078.db2.gz GEAJAMXFLOUFBT-BXXZLRJFSA-N 1 2 249.314 1.185 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000365664674 385593515 /nfs/dbraw/zinc/59/35/15/385593515.db2.gz WKSSTQFYJQFZEG-LBPRGKRZSA-N 1 2 245.330 1.752 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000365664674 385593518 /nfs/dbraw/zinc/59/35/18/385593518.db2.gz WKSSTQFYJQFZEG-LBPRGKRZSA-N 1 2 245.330 1.752 20 0 BDADLO Fc1ccc(NCCCNc2cccc[nH+]2)nc1 ZINC000339974313 385598040 /nfs/dbraw/zinc/59/80/40/385598040.db2.gz FQPCMFNSOOWXDJ-UHFFFAOYSA-N 1 2 246.289 1.952 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC=CO1 ZINC000280752712 385601802 /nfs/dbraw/zinc/60/18/02/385601802.db2.gz DVSSGAXVCUHXKI-VHSXEESVSA-N 1 2 213.277 1.172 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000280752712 385601806 /nfs/dbraw/zinc/60/18/06/385601806.db2.gz DVSSGAXVCUHXKI-VHSXEESVSA-N 1 2 213.277 1.172 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC)o1 ZINC000280793368 385604263 /nfs/dbraw/zinc/60/42/63/385604263.db2.gz HRJMUUDNQNNGAT-VIFPVBQESA-N 1 2 225.288 1.835 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC)o1 ZINC000280793368 385604268 /nfs/dbraw/zinc/60/42/68/385604268.db2.gz HRJMUUDNQNNGAT-VIFPVBQESA-N 1 2 225.288 1.835 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCC[C@H]1O ZINC000052007361 385604537 /nfs/dbraw/zinc/60/45/37/385604537.db2.gz NHOVTMXAPVEAFU-VHSXEESVSA-N 1 2 247.302 1.079 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)o1 ZINC000280793367 385605360 /nfs/dbraw/zinc/60/53/60/385605360.db2.gz HRJMUUDNQNNGAT-SECBINFHSA-N 1 2 225.288 1.835 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)o1 ZINC000280793367 385605364 /nfs/dbraw/zinc/60/53/64/385605364.db2.gz HRJMUUDNQNNGAT-SECBINFHSA-N 1 2 225.288 1.835 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC=C(C)C1 ZINC000280875690 385614964 /nfs/dbraw/zinc/61/49/64/385614964.db2.gz ORAUMFIRXYFCPO-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC=C(C)C1 ZINC000280875690 385614966 /nfs/dbraw/zinc/61/49/66/385614966.db2.gz ORAUMFIRXYFCPO-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CC[N@H+](CCc1cccnc1)CC(=O)OC ZINC000063224106 385616621 /nfs/dbraw/zinc/61/66/21/385616621.db2.gz CXNRVCBCYBNKRQ-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CC[N@@H+](CCc1cccnc1)CC(=O)OC ZINC000063224106 385616627 /nfs/dbraw/zinc/61/66/27/385616627.db2.gz CXNRVCBCYBNKRQ-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1nc(C)ccc1O ZINC000280921543 385617860 /nfs/dbraw/zinc/61/78/60/385617860.db2.gz RDWOKKHLYVXGPR-VIFPVBQESA-N 1 2 238.287 1.089 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1nc(C)ccc1O ZINC000280921543 385617862 /nfs/dbraw/zinc/61/78/62/385617862.db2.gz RDWOKKHLYVXGPR-VIFPVBQESA-N 1 2 238.287 1.089 20 0 BDADLO CC[C@H](CNc1cc[nH+]c(C(C)C)n1)OC ZINC000336679195 385621734 /nfs/dbraw/zinc/62/17/34/385621734.db2.gz CMIQWRHGEAXYLG-SNVBAGLBSA-N 1 2 223.320 1.859 20 0 BDADLO CCCCNc1cc(NC[C@H](C)O)nc(N)[nH+]1 ZINC000280962615 385622281 /nfs/dbraw/zinc/62/22/81/385622281.db2.gz LCROSKYCMIEROH-QMMMGPOBSA-N 1 2 239.323 1.064 20 0 BDADLO CCCCNc1cc(NC[C@H](C)O)[nH+]c(N)n1 ZINC000280962615 385622286 /nfs/dbraw/zinc/62/22/86/385622286.db2.gz LCROSKYCMIEROH-QMMMGPOBSA-N 1 2 239.323 1.064 20 0 BDADLO Cc1ccn(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000365163386 385624743 /nfs/dbraw/zinc/62/47/43/385624743.db2.gz TWWIFOOOWNBIRP-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO CCN(CC)C(=O)CSCc1c[nH+]cn1C ZINC000269758372 385634902 /nfs/dbraw/zinc/63/49/02/385634902.db2.gz VZOUZRXCRKPHMD-UHFFFAOYSA-N 1 2 241.360 1.522 20 0 BDADLO Cc1nonc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000269571506 385609373 /nfs/dbraw/zinc/60/93/73/385609373.db2.gz NOMYPNVDOXZKCF-ZDUSSCGKSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1nonc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000269571506 385609379 /nfs/dbraw/zinc/60/93/79/385609379.db2.gz NOMYPNVDOXZKCF-ZDUSSCGKSA-N 1 2 247.298 1.543 20 0 BDADLO COCc1noc(C[N@@H+]2CCC(C)=C(C)C2)n1 ZINC000280843698 385611119 /nfs/dbraw/zinc/61/11/19/385611119.db2.gz XJNANDZMMZRHGY-UHFFFAOYSA-N 1 2 237.303 1.758 20 0 BDADLO COCc1noc(C[N@H+]2CCC(C)=C(C)C2)n1 ZINC000280843698 385611127 /nfs/dbraw/zinc/61/11/27/385611127.db2.gz XJNANDZMMZRHGY-UHFFFAOYSA-N 1 2 237.303 1.758 20 0 BDADLO CC(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280848616 385611182 /nfs/dbraw/zinc/61/11/82/385611182.db2.gz WGHNZMBQQSQGSL-UHFFFAOYSA-N 1 2 203.245 1.929 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC1(C)CC1 ZINC000280857547 385611914 /nfs/dbraw/zinc/61/19/14/385611914.db2.gz BZRMUTLAXDDEBJ-UHFFFAOYSA-N 1 2 231.303 1.965 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000309493255 385613568 /nfs/dbraw/zinc/61/35/68/385613568.db2.gz XSWUAOWRKKADBG-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO COC[C@H]([NH2+]Cc1cnn(C)c1C)c1ccco1 ZINC000270052545 385664446 /nfs/dbraw/zinc/66/44/46/385664446.db2.gz FECGHHWTHICKIS-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1cccs1 ZINC000273330941 385664943 /nfs/dbraw/zinc/66/49/43/385664943.db2.gz UOYXLHKVXQJUQO-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1c[nH]nc1C ZINC000281241705 385648729 /nfs/dbraw/zinc/64/87/29/385648729.db2.gz LTFCBYUXSSEXIT-SECBINFHSA-N 1 2 239.319 1.492 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1c[nH]nc1C ZINC000281241705 385648736 /nfs/dbraw/zinc/64/87/36/385648736.db2.gz LTFCBYUXSSEXIT-SECBINFHSA-N 1 2 239.319 1.492 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1ncccn1 ZINC000188208062 385665577 /nfs/dbraw/zinc/66/55/77/385665577.db2.gz LWYXTLBONAZPCL-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1ncccn1 ZINC000188208062 385665581 /nfs/dbraw/zinc/66/55/81/385665581.db2.gz LWYXTLBONAZPCL-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1OCC[C@H]1SCc1c[nH+]cn1C ZINC000269970869 385654929 /nfs/dbraw/zinc/65/49/29/385654929.db2.gz OIVWJIYUYHFOSE-PSASIEDQSA-N 1 2 212.318 1.831 20 0 BDADLO CO[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000270077825 385665818 /nfs/dbraw/zinc/66/58/18/385665818.db2.gz KRTBEKOAYFUFGD-JTQLQIEISA-N 1 2 225.292 1.119 20 0 BDADLO CC[C@@H](C)N(CC(=O)OC)Cc1c[nH+]c[nH]1 ZINC000281325619 385659051 /nfs/dbraw/zinc/65/90/51/385659051.db2.gz LNASVUZMSNPNNJ-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@@H](C)N(CC(=O)OC)Cc1c[nH]c[nH+]1 ZINC000281325619 385659055 /nfs/dbraw/zinc/65/90/55/385659055.db2.gz LNASVUZMSNPNNJ-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO COc1cc(C)[nH+]c(CSc2cn[nH]n2)c1 ZINC000270122770 385673362 /nfs/dbraw/zinc/67/33/62/385673362.db2.gz KPWJJLBMTUDIHN-UHFFFAOYSA-N 1 2 236.300 1.809 20 0 BDADLO COc1cc(C)[nH+]c(CSc2c[nH]nn2)c1 ZINC000270122770 385673364 /nfs/dbraw/zinc/67/33/64/385673364.db2.gz KPWJJLBMTUDIHN-UHFFFAOYSA-N 1 2 236.300 1.809 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CC(Cc2cccc(F)c2)C1 ZINC000372835813 385676059 /nfs/dbraw/zinc/67/60/59/385676059.db2.gz HYYOQDNQOMDCCX-ZDUSSCGKSA-N 1 2 249.285 1.616 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C)CCCC2)c[nH+]1 ZINC000270148355 385676334 /nfs/dbraw/zinc/67/63/34/385676334.db2.gz WHCYQUXAMGWHGQ-UHFFFAOYSA-N 1 2 207.277 1.781 20 0 BDADLO CC(C)CC(=O)NCCCCn1cc[nH+]c1 ZINC000041534932 385679263 /nfs/dbraw/zinc/67/92/63/385679263.db2.gz LKFGKDSNFNYGII-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CSC[C@H]2C)no1 ZINC000307352749 385681458 /nfs/dbraw/zinc/68/14/58/385681458.db2.gz REDJITKTRFXZPI-SVRRBLITSA-N 1 2 213.306 1.219 20 0 BDADLO CCc1nnc(C[NH+]2C[C@H](C)[C@H]2C)s1 ZINC000645219000 385682563 /nfs/dbraw/zinc/68/25/63/385682563.db2.gz DRHXRJFKAHPFRP-JGVFFNPUSA-N 1 2 211.334 1.941 20 0 BDADLO CSCC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000337481937 385682889 /nfs/dbraw/zinc/68/28/89/385682889.db2.gz FFDKGWRPASKETN-UHFFFAOYSA-N 1 2 241.360 1.757 20 0 BDADLO O=C(C[N@H+]1CC=C(C(F)(F)F)CC1)N1CCC1 ZINC000270187783 385683569 /nfs/dbraw/zinc/68/35/69/385683569.db2.gz MYCWXDQJOZBQMH-UHFFFAOYSA-N 1 2 248.248 1.413 20 0 BDADLO O=C(C[N@@H+]1CC=C(C(F)(F)F)CC1)N1CCC1 ZINC000270187783 385683576 /nfs/dbraw/zinc/68/35/76/385683576.db2.gz MYCWXDQJOZBQMH-UHFFFAOYSA-N 1 2 248.248 1.413 20 0 BDADLO COc1cc(C)[nH+]c(CN(C)[C@@H]2CCOC2)c1 ZINC000270205045 385685415 /nfs/dbraw/zinc/68/54/15/385685415.db2.gz CUVSRHKXPPRUEJ-GFCCVEGCSA-N 1 2 236.315 1.619 20 0 BDADLO COc1cc(C[N@@H+]2CCn3cncc3C2)ccn1 ZINC000647939638 385687204 /nfs/dbraw/zinc/68/72/04/385687204.db2.gz VMPSEYTVBFFXGT-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cc(C[N@H+]2CCn3cncc3C2)ccn1 ZINC000647939638 385687208 /nfs/dbraw/zinc/68/72/08/385687208.db2.gz VMPSEYTVBFFXGT-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO FC(F)[C@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000337526628 385698021 /nfs/dbraw/zinc/69/80/21/385698021.db2.gz RTTZTKLBELTRTH-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO CC[C@@H](NC(=O)c1cnc(C)[nH]1)c1[nH]cc[nH+]1 ZINC000354133486 385703786 /nfs/dbraw/zinc/70/37/86/385703786.db2.gz GEMDHODAZJDRBG-MRVPVSSYSA-N 1 2 233.275 1.322 20 0 BDADLO CC[C@@H](C)OCC(=O)N(C)Cc1[nH+]ccn1C ZINC000337544307 385704405 /nfs/dbraw/zinc/70/44/05/385704405.db2.gz LIKVWXXPDFVIBO-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1ccccn1 ZINC000188211440 385668600 /nfs/dbraw/zinc/66/86/00/385668600.db2.gz FYSTZDMSYDJVTA-NSHDSACASA-N 1 2 238.356 1.894 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1ccccn1 ZINC000188211440 385668605 /nfs/dbraw/zinc/66/86/05/385668605.db2.gz FYSTZDMSYDJVTA-NSHDSACASA-N 1 2 238.356 1.894 20 0 BDADLO CS(=O)(=O)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000337459866 385669015 /nfs/dbraw/zinc/66/90/15/385669015.db2.gz OVPGCDQJXXKZRJ-SSDOTTSWSA-N 1 2 245.266 1.058 20 0 BDADLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000337459866 385669022 /nfs/dbraw/zinc/66/90/22/385669022.db2.gz OVPGCDQJXXKZRJ-SSDOTTSWSA-N 1 2 245.266 1.058 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1ncc(C2CC2)o1 ZINC000270679176 385728888 /nfs/dbraw/zinc/72/88/88/385728888.db2.gz YMMHPPCQTZHHPH-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1ncc(C2CC2)o1 ZINC000270679176 385728890 /nfs/dbraw/zinc/72/88/90/385728890.db2.gz YMMHPPCQTZHHPH-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO CC(C)n1cc(NCc2[nH+]ccn2C)cn1 ZINC000061683152 385743694 /nfs/dbraw/zinc/74/36/94/385743694.db2.gz CSHFHCBGZQYLLV-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000282266732 385746315 /nfs/dbraw/zinc/74/63/15/385746315.db2.gz CGZYBLKOVZSGIT-JTQLQIEISA-N 1 2 245.369 1.367 20 0 BDADLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000282266732 385746323 /nfs/dbraw/zinc/74/63/23/385746323.db2.gz CGZYBLKOVZSGIT-JTQLQIEISA-N 1 2 245.369 1.367 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)o1 ZINC000282264141 385747149 /nfs/dbraw/zinc/74/71/49/385747149.db2.gz CAKJAVFESMVZBL-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)o1 ZINC000282264141 385747155 /nfs/dbraw/zinc/74/71/55/385747155.db2.gz CAKJAVFESMVZBL-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO C[N@H+](CCOCCO)Cc1cccnc1Cl ZINC000282299808 385749491 /nfs/dbraw/zinc/74/94/91/385749491.db2.gz GEUWVFCYPCZADW-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO C[N@@H+](CCOCCO)Cc1cccnc1Cl ZINC000282299808 385749501 /nfs/dbraw/zinc/74/95/01/385749501.db2.gz GEUWVFCYPCZADW-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)o1 ZINC000525838548 385751425 /nfs/dbraw/zinc/75/14/25/385751425.db2.gz YHHQDQWHCFQVLL-NSHDSACASA-N 1 2 238.331 1.830 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@H](O)C(C)(C)C2)o1 ZINC000525838548 385751429 /nfs/dbraw/zinc/75/14/29/385751429.db2.gz YHHQDQWHCFQVLL-NSHDSACASA-N 1 2 238.331 1.830 20 0 BDADLO CC[N@H+](CCO)Cc1ncc(Cl)s1 ZINC000308248700 385757122 /nfs/dbraw/zinc/75/71/22/385757122.db2.gz ZWZPXZMLMSAZRT-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO CC[N@@H+](CCO)Cc1ncc(Cl)s1 ZINC000308248700 385757124 /nfs/dbraw/zinc/75/71/24/385757124.db2.gz ZWZPXZMLMSAZRT-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO CCC[C@@H](O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000271113487 385786910 /nfs/dbraw/zinc/78/69/10/385786910.db2.gz GYEYWFTVATYDPZ-LLVKDONJSA-N 1 2 237.303 1.673 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C1CC1 ZINC000309633601 385758738 /nfs/dbraw/zinc/75/87/38/385758738.db2.gz IQOLWUOGNMBFEV-XPUUQOCRSA-N 1 2 239.237 1.726 20 0 BDADLO Cc1cc(C)nc(N(C)Cc2[nH+]ccn2C)n1 ZINC000270914931 385759955 /nfs/dbraw/zinc/75/99/55/385759955.db2.gz ICUZTIWPLMDIPC-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cnccc1C ZINC000270925731 385760117 /nfs/dbraw/zinc/76/01/17/385760117.db2.gz VYXSYUHNWHIFPN-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cnccc1C ZINC000270925731 385760122 /nfs/dbraw/zinc/76/01/22/385760122.db2.gz VYXSYUHNWHIFPN-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO Cc1nc(N2CCC([C@H](C)O)CC2)cc[nH+]1 ZINC000230904786 385765444 /nfs/dbraw/zinc/76/54/44/385765444.db2.gz FZJRFEHLLZCJLT-VIFPVBQESA-N 1 2 221.304 1.382 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000282561924 385771403 /nfs/dbraw/zinc/77/14/03/385771403.db2.gz UHTVIAUCCXQJID-LLVKDONJSA-N 1 2 246.314 1.392 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CCO[C@H](C)C2)c[nH]1 ZINC000271045565 385775077 /nfs/dbraw/zinc/77/50/77/385775077.db2.gz QJVJMZCKCXRSQE-SECBINFHSA-N 1 2 238.287 1.022 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CCO[C@H](C)C2)c[nH]1 ZINC000271045565 385775084 /nfs/dbraw/zinc/77/50/84/385775084.db2.gz QJVJMZCKCXRSQE-SECBINFHSA-N 1 2 238.287 1.022 20 0 BDADLO CO[C@@H]1CCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282650804 385778310 /nfs/dbraw/zinc/77/83/10/385778310.db2.gz AQFRZKPTHYXICF-BYAJROORSA-N 1 2 249.314 1.497 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000271068440 385781530 /nfs/dbraw/zinc/78/15/30/385781530.db2.gz HVUPJNHCXJOEKA-LLVKDONJSA-N 1 2 235.331 1.553 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000271068440 385781533 /nfs/dbraw/zinc/78/15/33/385781533.db2.gz HVUPJNHCXJOEKA-LLVKDONJSA-N 1 2 235.331 1.553 20 0 BDADLO C[N@H+](Cc1ncc(C2CC2)o1)[C@H]1CCOC1 ZINC000270578485 385719852 /nfs/dbraw/zinc/71/98/52/385719852.db2.gz IDYHYMKRBLTYSV-JTQLQIEISA-N 1 2 222.288 1.773 20 0 BDADLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@H]1CCOC1 ZINC000270578485 385719858 /nfs/dbraw/zinc/71/98/58/385719858.db2.gz IDYHYMKRBLTYSV-JTQLQIEISA-N 1 2 222.288 1.773 20 0 BDADLO C[N@H+](Cc1cnccn1)C[C@](C)(O)C(F)(F)F ZINC000282035411 385727267 /nfs/dbraw/zinc/72/72/67/385727267.db2.gz QKOQTOWKZVXPRK-VIFPVBQESA-N 1 2 249.236 1.222 20 0 BDADLO C[N@@H+](Cc1cnccn1)C[C@](C)(O)C(F)(F)F ZINC000282035411 385727271 /nfs/dbraw/zinc/72/72/71/385727271.db2.gz QKOQTOWKZVXPRK-VIFPVBQESA-N 1 2 249.236 1.222 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000271198430 385804190 /nfs/dbraw/zinc/80/41/90/385804190.db2.gz SIOPFCLBUYRIBY-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000271198430 385804195 /nfs/dbraw/zinc/80/41/95/385804195.db2.gz SIOPFCLBUYRIBY-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)CCc1c[nH+]cn1C ZINC000283293865 385816777 /nfs/dbraw/zinc/81/67/77/385816777.db2.gz HHCLFJDBPPKFOQ-SNVBAGLBSA-N 1 2 239.319 1.541 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCOCC(F)F ZINC000188637002 385819070 /nfs/dbraw/zinc/81/90/70/385819070.db2.gz HVVWNDUJQBRIHK-BDAKNGLRSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCOCC(F)F ZINC000188637002 385819075 /nfs/dbraw/zinc/81/90/75/385819075.db2.gz HVVWNDUJQBRIHK-BDAKNGLRSA-N 1 2 223.263 1.377 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCOC2)s1 ZINC000271382720 385822461 /nfs/dbraw/zinc/82/24/61/385822461.db2.gz PJAMXVKWTDAZRS-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCOC2)s1 ZINC000271382720 385822468 /nfs/dbraw/zinc/82/24/68/385822468.db2.gz PJAMXVKWTDAZRS-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO CN(C[C@@H]1CCCOC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283623644 385824387 /nfs/dbraw/zinc/82/43/87/385824387.db2.gz AVRNHXZRXITIOI-ZWNMCFTASA-N 1 2 249.314 1.308 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCCO1 ZINC000283744620 385830170 /nfs/dbraw/zinc/83/01/70/385830170.db2.gz JCHUQGMYQUNSRW-JTQLQIEISA-N 1 2 238.291 1.009 20 0 BDADLO C[C@H](O)CNc1cc(NCc2ccco2)nc[nH+]1 ZINC000294277368 385831213 /nfs/dbraw/zinc/83/12/13/385831213.db2.gz GHTPVJKSWJDBLG-VIFPVBQESA-N 1 2 248.286 1.474 20 0 BDADLO C[C@H](O)CNc1cc(NCc2ccco2)[nH+]cn1 ZINC000294277368 385831215 /nfs/dbraw/zinc/83/12/15/385831215.db2.gz GHTPVJKSWJDBLG-VIFPVBQESA-N 1 2 248.286 1.474 20 0 BDADLO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336738270 385834966 /nfs/dbraw/zinc/83/49/66/385834966.db2.gz RCAZITQETVPYHH-SFYZADRCSA-N 1 2 210.281 1.179 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000413583044 385847491 /nfs/dbraw/zinc/84/74/91/385847491.db2.gz MZDKPJMOIFEKGV-PELKAZGASA-N 1 2 235.331 1.609 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC1(C)C ZINC000271748561 385848589 /nfs/dbraw/zinc/84/85/89/385848589.db2.gz FCLYQZFFFXQOSN-SECBINFHSA-N 1 2 236.319 1.360 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(C)CCC1)C2 ZINC000365904364 385851647 /nfs/dbraw/zinc/85/16/47/385851647.db2.gz XEWWMCUFVRDHGI-LLVKDONJSA-N 1 2 247.342 1.813 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)s1 ZINC000271110958 385788404 /nfs/dbraw/zinc/78/84/04/385788404.db2.gz DLWIHNMZWGEHTE-GHMZBOCLSA-N 1 2 224.329 1.896 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)s1 ZINC000271110958 385788405 /nfs/dbraw/zinc/78/84/05/385788405.db2.gz DLWIHNMZWGEHTE-GHMZBOCLSA-N 1 2 224.329 1.896 20 0 BDADLO COC(=O)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000260092875 385790514 /nfs/dbraw/zinc/79/05/14/385790514.db2.gz CBIBBCXBXRBSOH-QMMMGPOBSA-N 1 2 235.287 1.718 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1nc(C)ccc1O ZINC000271150017 385792104 /nfs/dbraw/zinc/79/21/04/385792104.db2.gz JWPGZGCWDNWBSI-UHFFFAOYSA-N 1 2 238.287 1.091 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1nc(C)ccc1O ZINC000271150017 385792110 /nfs/dbraw/zinc/79/21/10/385792110.db2.gz JWPGZGCWDNWBSI-UHFFFAOYSA-N 1 2 238.287 1.091 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@H]2CCC[C@H]21 ZINC000282902528 385795728 /nfs/dbraw/zinc/79/57/28/385795728.db2.gz XBNNRJCSFDTZBK-RVAOTSRCSA-N 1 2 247.298 1.203 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC000271173969 385795805 /nfs/dbraw/zinc/79/58/05/385795805.db2.gz FMPVKANUNPZRFX-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC000271173969 385795807 /nfs/dbraw/zinc/79/58/07/385795807.db2.gz FMPVKANUNPZRFX-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccn(C)n2)[C@H]1C ZINC000271172052 385797838 /nfs/dbraw/zinc/79/78/38/385797838.db2.gz IBZHRMZAHMFHBK-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccn(C)n2)[C@H]1C ZINC000271172052 385797843 /nfs/dbraw/zinc/79/78/43/385797843.db2.gz IBZHRMZAHMFHBK-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccncc3)[C@@H]12 ZINC000366638234 385886939 /nfs/dbraw/zinc/88/69/39/385886939.db2.gz DPOKVQHGJNZIAB-VXGBXAGGSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccncc3)[C@@H]12 ZINC000366638234 385886943 /nfs/dbraw/zinc/88/69/43/385886943.db2.gz DPOKVQHGJNZIAB-VXGBXAGGSA-N 1 2 232.283 1.219 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000272253764 385888673 /nfs/dbraw/zinc/88/86/73/385888673.db2.gz IXAYEFMZBKUZLU-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000272253764 385888677 /nfs/dbraw/zinc/88/86/77/385888677.db2.gz IXAYEFMZBKUZLU-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000408259186 385893897 /nfs/dbraw/zinc/89/38/97/385893897.db2.gz HUSGPKDFXOYJTR-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000408259186 385893900 /nfs/dbraw/zinc/89/39/00/385893900.db2.gz HUSGPKDFXOYJTR-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)no1 ZINC000228885850 385897913 /nfs/dbraw/zinc/89/79/13/385897913.db2.gz NXGLFTZZJUUDDP-ONGXEEELSA-N 1 2 239.319 1.503 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)no1 ZINC000228885850 385897916 /nfs/dbraw/zinc/89/79/16/385897916.db2.gz NXGLFTZZJUUDDP-ONGXEEELSA-N 1 2 239.319 1.503 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccncc2C)CCO1 ZINC000294832350 385901829 /nfs/dbraw/zinc/90/18/29/385901829.db2.gz NNLNVQOAVNCQHL-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccncc2C)CCO1 ZINC000294832350 385901833 /nfs/dbraw/zinc/90/18/33/385901833.db2.gz NNLNVQOAVNCQHL-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CSCC[C@H](O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000294866185 385905576 /nfs/dbraw/zinc/90/55/76/385905576.db2.gz BNMGIOCTEGAGBL-JTQLQIEISA-N 1 2 240.328 1.443 20 0 BDADLO Cc1cnc(CNc2nc(C)[nH+]cc2C)nc1 ZINC000518796167 385906885 /nfs/dbraw/zinc/90/68/85/385906885.db2.gz VIYTVALAPHPANP-UHFFFAOYSA-N 1 2 229.287 1.226 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000285262797 385911036 /nfs/dbraw/zinc/91/10/36/385911036.db2.gz DDHPUMGJWFBMOU-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000285262797 385911042 /nfs/dbraw/zinc/91/10/42/385911042.db2.gz DDHPUMGJWFBMOU-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO CC[C@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000294891305 385911908 /nfs/dbraw/zinc/91/19/08/385911908.db2.gz LRROTYYUHPITTJ-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000294891305 385911911 /nfs/dbraw/zinc/91/19/11/385911911.db2.gz LRROTYYUHPITTJ-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356038729 385914051 /nfs/dbraw/zinc/91/40/51/385914051.db2.gz UQDWBKMHUWDIKL-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356038729 385914057 /nfs/dbraw/zinc/91/40/57/385914057.db2.gz UQDWBKMHUWDIKL-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1csc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000285370267 385917998 /nfs/dbraw/zinc/91/79/98/385917998.db2.gz CBCLSXHKVLLLPF-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1csc(C[N@H+](C)C2(CO)CC2)n1 ZINC000285370267 385918002 /nfs/dbraw/zinc/91/80/02/385918002.db2.gz CBCLSXHKVLLLPF-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000284316650 385861770 /nfs/dbraw/zinc/86/17/70/385861770.db2.gz WBZKNITYFRNQNO-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000284316650 385861775 /nfs/dbraw/zinc/86/17/75/385861775.db2.gz WBZKNITYFRNQNO-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000284316650 385861781 /nfs/dbraw/zinc/86/17/81/385861781.db2.gz WBZKNITYFRNQNO-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCCC2(C1)OCCO2 ZINC000284316650 385861783 /nfs/dbraw/zinc/86/17/83/385861783.db2.gz WBZKNITYFRNQNO-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO COc1nccnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000294580220 385870760 /nfs/dbraw/zinc/87/07/60/385870760.db2.gz QCGUHCWUOPQVJS-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000294580220 385870764 /nfs/dbraw/zinc/87/07/64/385870764.db2.gz QCGUHCWUOPQVJS-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000647735197 385873359 /nfs/dbraw/zinc/87/33/59/385873359.db2.gz VUTGGZAWFOWVIR-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO COCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000647735197 385873363 /nfs/dbraw/zinc/87/33/63/385873363.db2.gz VUTGGZAWFOWVIR-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nnn(C)n1 ZINC000338350481 385977855 /nfs/dbraw/zinc/97/78/55/385977855.db2.gz QIPAVXAGUMAZBV-JTQLQIEISA-N 1 2 237.351 1.611 20 0 BDADLO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1nnn(C)n1 ZINC000338350481 385977858 /nfs/dbraw/zinc/97/78/58/385977858.db2.gz QIPAVXAGUMAZBV-JTQLQIEISA-N 1 2 237.351 1.611 20 0 BDADLO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccn(C)n1 ZINC000414132477 385979583 /nfs/dbraw/zinc/97/95/83/385979583.db2.gz MMHNQDMKVGKDFV-NSHDSACASA-N 1 2 236.363 1.555 20 0 BDADLO CC(C)c1noc(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000273246874 385982728 /nfs/dbraw/zinc/98/27/28/385982728.db2.gz CJMGXIIXNVHGIU-VIFPVBQESA-N 1 2 249.318 1.777 20 0 BDADLO COC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000338381958 385984909 /nfs/dbraw/zinc/98/49/09/385984909.db2.gz BMOPZMFZFKFXEI-CYBMUJFWSA-N 1 2 249.310 1.623 20 0 BDADLO COC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000338381958 385984914 /nfs/dbraw/zinc/98/49/14/385984914.db2.gz BMOPZMFZFKFXEI-CYBMUJFWSA-N 1 2 249.310 1.623 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286011079 385986870 /nfs/dbraw/zinc/98/68/70/385986870.db2.gz GWQNMEPYKSHUID-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286011079 385986872 /nfs/dbraw/zinc/98/68/72/385986872.db2.gz GWQNMEPYKSHUID-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO CC(C)(C)c1nnc(C[NH+]2CCC(O)CC2)[nH]1 ZINC000408395168 385931290 /nfs/dbraw/zinc/93/12/90/385931290.db2.gz PSPVTHJJOXRLCM-UHFFFAOYSA-N 1 2 238.335 1.059 20 0 BDADLO Cc1cn2cc(NC(=O)[C@H](O)C(C)C)ccc2[nH+]1 ZINC000285545302 385941477 /nfs/dbraw/zinc/94/14/77/385941477.db2.gz HZCUHRYIJIHWQR-GFCCVEGCSA-N 1 2 247.298 1.598 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@](C)(F)C2)nn1 ZINC000338284391 385949075 /nfs/dbraw/zinc/94/90/75/385949075.db2.gz PHCZWWRGSNWFHF-NSHDSACASA-N 1 2 225.267 1.419 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@](C)(F)C2)nn1 ZINC000338284391 385949082 /nfs/dbraw/zinc/94/90/82/385949082.db2.gz PHCZWWRGSNWFHF-NSHDSACASA-N 1 2 225.267 1.419 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C(C)(C)CO)n1 ZINC000643250630 385952179 /nfs/dbraw/zinc/95/21/79/385952179.db2.gz RIGLHKWGHKAIQK-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C(C)(C)CO)n1 ZINC000643250630 385952184 /nfs/dbraw/zinc/95/21/84/385952184.db2.gz RIGLHKWGHKAIQK-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO COC[C@@]1(C)CCN(c2cccc[nH+]2)C1 ZINC000295063594 385958187 /nfs/dbraw/zinc/95/81/87/385958187.db2.gz YYCUGUNGTOAWRR-LBPRGKRZSA-N 1 2 206.289 1.944 20 0 BDADLO COC[C@@H](CNc1cc[nH+]c2ccncc12)OC ZINC000272999185 385958551 /nfs/dbraw/zinc/95/85/51/385958551.db2.gz RCRNRIXZVDJCOD-SNVBAGLBSA-N 1 2 247.298 1.703 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCO[C@H]2C)c[nH+]1 ZINC000335059113 385960339 /nfs/dbraw/zinc/96/03/39/385960339.db2.gz PJERSAZLLXXWIH-WCQYABFASA-N 1 2 248.326 1.740 20 0 BDADLO COc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)ccc1C ZINC000295080191 385961327 /nfs/dbraw/zinc/96/13/27/385961327.db2.gz RWHBHYJOLBQJOG-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)ccc1C ZINC000295080191 385961337 /nfs/dbraw/zinc/96/13/37/385961337.db2.gz RWHBHYJOLBQJOG-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COC[C@H](CC(C)C)[NH2+]CC(F)(F)CO ZINC000336769298 385970911 /nfs/dbraw/zinc/97/09/11/385970911.db2.gz URURYZIENAONES-VIFPVBQESA-N 1 2 225.279 1.265 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000189444708 386000042 /nfs/dbraw/zinc/00/00/42/386000042.db2.gz LSIRPNAGUGOKNO-SKDRFNHKSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000189444708 386000050 /nfs/dbraw/zinc/00/00/50/386000050.db2.gz LSIRPNAGUGOKNO-SKDRFNHKSA-N 1 2 240.303 1.219 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000286143617 386000263 /nfs/dbraw/zinc/00/02/63/386000263.db2.gz NDXHNRGFABWGHY-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO NC(=O)c1coc(C[NH2+]Cc2ccco2)c1 ZINC000189423892 386000336 /nfs/dbraw/zinc/00/03/36/386000336.db2.gz HXKPLYGJDKKPNK-UHFFFAOYSA-N 1 2 220.228 1.261 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000273460349 386004453 /nfs/dbraw/zinc/00/44/53/386004453.db2.gz ZVHMTZZXLQGQIY-ZETCQYMHSA-N 1 2 235.291 1.271 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C(F)(F)F ZINC000345147070 386012987 /nfs/dbraw/zinc/01/29/87/386012987.db2.gz VXGWXTUYSQPWKR-LURJTMIESA-N 1 2 235.209 1.267 20 0 BDADLO CC[C@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)CCO1 ZINC000335069811 386017743 /nfs/dbraw/zinc/01/77/43/386017743.db2.gz RDSMUAHVJHMWAU-UWVGGRQHSA-N 1 2 237.303 1.406 20 0 BDADLO CCCN1CC(=O)N[C@H]1c1cc(OC)cc(C)[nH+]1 ZINC000414177211 386018982 /nfs/dbraw/zinc/01/89/82/386018982.db2.gz FTFDAHTYOASGDO-CYBMUJFWSA-N 1 2 249.314 1.239 20 0 BDADLO CO[C@@H]1[C@H]2C[C@H]3CN(c4cccc[nH+]4)[C@H]1[C@H]3C2 ZINC000286299714 386020865 /nfs/dbraw/zinc/02/08/65/386020865.db2.gz JJVLLMWGPKGKRF-NARNDRFESA-N 1 2 230.311 1.941 20 0 BDADLO Cn1c[nH+]c2c1CCN(C(=O)NC(C)(C)C)C2 ZINC000366042036 386020937 /nfs/dbraw/zinc/02/09/37/386020937.db2.gz XXDIOFXDZIQDNQ-UHFFFAOYSA-N 1 2 236.319 1.286 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCCCO2)c[nH+]1 ZINC000335060795 386026156 /nfs/dbraw/zinc/02/61/56/386026156.db2.gz ZMHZNIMBWDKBTL-ZDUSSCGKSA-N 1 2 248.326 1.884 20 0 BDADLO Cc1cnc(C[NH2+]C[C@](C)(O)C(F)(F)F)o1 ZINC000309805649 386027431 /nfs/dbraw/zinc/02/74/31/386027431.db2.gz XNHFKOKSZYUCFG-QMMMGPOBSA-N 1 2 238.209 1.386 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000414186706 386027812 /nfs/dbraw/zinc/02/78/12/386027812.db2.gz PQLPIABJSPCKBJ-PJXYFTJBSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000414186706 386027817 /nfs/dbraw/zinc/02/78/17/386027817.db2.gz PQLPIABJSPCKBJ-PJXYFTJBSA-N 1 2 224.348 1.981 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[C@H]1O ZINC000189651164 386056916 /nfs/dbraw/zinc/05/69/16/386056916.db2.gz YYGOQBRLNQFDRT-ZYHUDNBSSA-N 1 2 231.299 1.899 20 0 BDADLO CC(C)c1nnc(CN2CCn3cc[nH+]c3C2)[nH]1 ZINC000331821600 386036225 /nfs/dbraw/zinc/03/62/25/386036225.db2.gz AHCRBKLGQMQYGK-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)OCCCC(=O)Nc1cc[nH+]cc1O ZINC000345169847 386037096 /nfs/dbraw/zinc/03/70/96/386037096.db2.gz SUPBSVRJCAUQFM-UHFFFAOYSA-N 1 2 238.287 1.353 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000295497426 386043763 /nfs/dbraw/zinc/04/37/63/386043763.db2.gz YCLDNTWNJOADDH-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000295497426 386043764 /nfs/dbraw/zinc/04/37/64/386043764.db2.gz YCLDNTWNJOADDH-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCCCO2)cc(C)[nH+]1 ZINC000335076637 386046986 /nfs/dbraw/zinc/04/69/86/386046986.db2.gz ZVELGGGUSGIMMT-CYBMUJFWSA-N 1 2 248.326 1.884 20 0 BDADLO CC[C@](C)([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000425426759 386050283 /nfs/dbraw/zinc/05/02/83/386050283.db2.gz WPNLQXWJRVMFKB-JQWIXIFHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCSC(C)C ZINC000286572370 386052355 /nfs/dbraw/zinc/05/23/55/386052355.db2.gz BXARLIJYHRIGMR-UHFFFAOYSA-N 1 2 241.360 1.518 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCSC(C)C ZINC000286572370 386052363 /nfs/dbraw/zinc/05/23/63/386052363.db2.gz BXARLIJYHRIGMR-UHFFFAOYSA-N 1 2 241.360 1.518 20 0 BDADLO CCCc1noc(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000273402218 385996673 /nfs/dbraw/zinc/99/66/73/385996673.db2.gz RDJJCMDVXUKCSS-SECBINFHSA-N 1 2 249.318 1.606 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334459704 386111788 /nfs/dbraw/zinc/11/17/88/386111788.db2.gz MFBNZRYSWOQQJX-WDEREUQCSA-N 1 2 247.342 1.750 20 0 BDADLO C[NH2+]Cc1noc(COC2CCC(C)CC2)n1 ZINC000414647249 386059389 /nfs/dbraw/zinc/05/93/89/386059389.db2.gz UDKVGWWKSYAIFG-UHFFFAOYSA-N 1 2 239.319 1.884 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCOC[C@H]2C)c[nH+]1 ZINC000286692483 386065541 /nfs/dbraw/zinc/06/55/41/386065541.db2.gz CSCKNKYFQMFCCA-PSASIEDQSA-N 1 2 237.303 1.121 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCOC[C@H]2C)c[nH+]1 ZINC000286692485 386067121 /nfs/dbraw/zinc/06/71/21/386067121.db2.gz CSCKNKYFQMFCCA-SCZZXKLOSA-N 1 2 237.303 1.121 20 0 BDADLO COc1nccnc1CNc1c[nH+]cc(C)c1 ZINC000295657132 386068221 /nfs/dbraw/zinc/06/82/21/386068221.db2.gz JCTWIOYXBYCVBJ-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000334440568 386068331 /nfs/dbraw/zinc/06/83/31/386068331.db2.gz XHTWYJIAUNQKCO-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000334440568 386068333 /nfs/dbraw/zinc/06/83/33/386068333.db2.gz XHTWYJIAUNQKCO-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000338595164 386069785 /nfs/dbraw/zinc/06/97/85/386069785.db2.gz CBFWTELEBIBPKP-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000338595164 386069788 /nfs/dbraw/zinc/06/97/88/386069788.db2.gz CBFWTELEBIBPKP-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO CCCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365402158 386080094 /nfs/dbraw/zinc/08/00/94/386080094.db2.gz CSAAYWXLKIRKPX-UHFFFAOYSA-N 1 2 235.331 1.978 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)CCO ZINC000286977108 386089367 /nfs/dbraw/zinc/08/93/67/386089367.db2.gz BQDCYLACALGAOO-SECBINFHSA-N 1 2 237.303 1.591 20 0 BDADLO Cc1nc(CNc2cccc(CO)[nH+]2)cs1 ZINC000336738469 386090297 /nfs/dbraw/zinc/09/02/97/386090297.db2.gz OHTDRIWPMWPNFG-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO CCOC[C@@H]([NH2+][C@H](CC)C(=O)OC)C(C)C ZINC000189807965 386090580 /nfs/dbraw/zinc/09/05/80/386090580.db2.gz KEJIKJJCZVSMDL-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cc(F)c[nH]1 ZINC000334451496 386091780 /nfs/dbraw/zinc/09/17/80/386091780.db2.gz WBVZOZDYIDONPO-UHFFFAOYSA-N 1 2 248.261 1.867 20 0 BDADLO Cc1cc(CNc2cccc[nH+]2)nn1C ZINC000414286473 386096262 /nfs/dbraw/zinc/09/62/62/386096262.db2.gz CRKFQKNQIHKHNM-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO CC[C@@H](C)CC(=O)NCc1[nH+]ccn1CC ZINC000295872473 386098857 /nfs/dbraw/zinc/09/88/57/386098857.db2.gz XTLPCKQFOKBCIL-SNVBAGLBSA-N 1 2 223.320 1.955 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccsc1 ZINC000190089483 386146985 /nfs/dbraw/zinc/14/69/85/386146985.db2.gz OFIVJBUYZXVQSK-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccsc1 ZINC000190089483 386146987 /nfs/dbraw/zinc/14/69/87/386146987.db2.gz OFIVJBUYZXVQSK-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000334473577 386147142 /nfs/dbraw/zinc/14/71/42/386147142.db2.gz JMKRZNVORPKMKZ-PHIMTYICSA-N 1 2 236.363 1.253 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000334473577 386147145 /nfs/dbraw/zinc/14/71/45/386147145.db2.gz JMKRZNVORPKMKZ-PHIMTYICSA-N 1 2 236.363 1.253 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)s1 ZINC000190087505 386147386 /nfs/dbraw/zinc/14/73/86/386147386.db2.gz GCZWDJLXARPEEE-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)s1 ZINC000190087505 386147389 /nfs/dbraw/zinc/14/73/89/386147389.db2.gz GCZWDJLXARPEEE-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO COc1ccc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000296196590 386148993 /nfs/dbraw/zinc/14/89/93/386148993.db2.gz YWMXECHMFVPYEB-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO COc1ccc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000296196590 386149001 /nfs/dbraw/zinc/14/90/01/386149001.db2.gz YWMXECHMFVPYEB-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO CCN(C)C(=O)CNc1cc[nH+]c2ccncc12 ZINC000274773900 386149635 /nfs/dbraw/zinc/14/96/35/386149635.db2.gz NHIGZWCMVDEDRQ-UHFFFAOYSA-N 1 2 244.298 1.520 20 0 BDADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC(F)C1 ZINC000335155922 386150484 /nfs/dbraw/zinc/15/04/84/386150484.db2.gz KRAWZIWKPUSEJV-UHFFFAOYSA-N 1 2 245.257 1.666 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000414369245 386155015 /nfs/dbraw/zinc/15/50/15/386155015.db2.gz UINULBDXQFZBQY-PHIMTYICSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000414369245 386155017 /nfs/dbraw/zinc/15/50/17/386155017.db2.gz UINULBDXQFZBQY-PHIMTYICSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1cc(NC(=O)CCc2[nH]cc[nH+]2)n(C)n1 ZINC000287916863 386157090 /nfs/dbraw/zinc/15/70/90/386157090.db2.gz IQWQBICHTHNMCK-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cs1 ZINC000334478172 386164728 /nfs/dbraw/zinc/16/47/28/386164728.db2.gz RCSOLAOBWHIPCE-SNVBAGLBSA-N 1 2 248.355 1.822 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000346150697 386169054 /nfs/dbraw/zinc/16/90/54/386169054.db2.gz BDCKADPDAAYOJB-MRVPVSSYSA-N 1 2 221.304 1.602 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000275004850 386169520 /nfs/dbraw/zinc/16/95/20/386169520.db2.gz QEUYHTYRQNHIKK-CABZTGNLSA-N 1 2 221.304 1.708 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1OC ZINC000275047045 386174382 /nfs/dbraw/zinc/17/43/82/386174382.db2.gz ZYIPEPIEYDIMHB-FOGDFJRCSA-N 1 2 237.303 1.389 20 0 BDADLO CSCCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000288255248 386177389 /nfs/dbraw/zinc/17/73/89/386177389.db2.gz TVXAOAZTALABQX-UHFFFAOYSA-N 1 2 241.360 1.554 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000414372907 386180058 /nfs/dbraw/zinc/18/00/58/386180058.db2.gz QIXPFHAVSCHTKL-JTQLQIEISA-N 1 2 221.304 1.260 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000414372907 386180062 /nfs/dbraw/zinc/18/00/62/386180062.db2.gz QIXPFHAVSCHTKL-JTQLQIEISA-N 1 2 221.304 1.260 20 0 BDADLO CSC1(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000288265878 386180784 /nfs/dbraw/zinc/18/07/84/386180784.db2.gz PIVZNJOTUZNEHE-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)c2ccco2)o1 ZINC000638322390 386181813 /nfs/dbraw/zinc/18/18/13/386181813.db2.gz SWYAEUDOYKHTDX-UHFFFAOYSA-N 1 2 249.270 1.096 20 0 BDADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cncc(F)c1 ZINC000275117375 386182827 /nfs/dbraw/zinc/18/28/27/386182827.db2.gz IHUNAIPDAKGESL-ABKXIKBNSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cncc(F)c1 ZINC000275117375 386182831 /nfs/dbraw/zinc/18/28/31/386182831.db2.gz IHUNAIPDAKGESL-ABKXIKBNSA-N 1 2 244.335 1.420 20 0 BDADLO Cc1cccc2ncc(C[N@@H+]3CCO[C@H](C)C3)n21 ZINC000334470727 386143781 /nfs/dbraw/zinc/14/37/81/386143781.db2.gz GALJCCXKWWMKIH-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2ncc(C[N@H+]3CCO[C@H](C)C3)n21 ZINC000334470727 386143788 /nfs/dbraw/zinc/14/37/88/386143788.db2.gz GALJCCXKWWMKIH-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CCO[C@H](C)C3)n21 ZINC000334470727 386143792 /nfs/dbraw/zinc/14/37/92/386143792.db2.gz GALJCCXKWWMKIH-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000288479493 386206413 /nfs/dbraw/zinc/20/64/13/386206413.db2.gz CFTCPJMXSSYVBF-SSDOTTSWSA-N 1 2 235.209 1.340 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000097989599 386208806 /nfs/dbraw/zinc/20/88/06/386208806.db2.gz HUEWHYBVIMWHTO-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000097989599 386208810 /nfs/dbraw/zinc/20/88/10/386208810.db2.gz HUEWHYBVIMWHTO-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000264141094 386210596 /nfs/dbraw/zinc/21/05/96/386210596.db2.gz IXJFETZMIVVMHN-ZJUUUORDSA-N 1 2 238.335 1.654 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CC12CC2 ZINC000643317069 386211041 /nfs/dbraw/zinc/21/10/41/386211041.db2.gz BXZARKZKDPCKPM-SNVBAGLBSA-N 1 2 232.283 1.507 20 0 BDADLO COc1cc[nH+]cc1CN1C(=O)[C@H](C)[C@@H](C)C1=O ZINC000288607386 386219981 /nfs/dbraw/zinc/21/99/81/386219981.db2.gz NDWAUDPFJYFXMV-RKDXNWHRSA-N 1 2 248.282 1.231 20 0 BDADLO Cc1coc(C)c1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297015511 386220577 /nfs/dbraw/zinc/22/05/77/386220577.db2.gz HSMQUJHPDBUBMX-UHFFFAOYSA-N 1 2 236.315 1.719 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C=C1CCCCC1 ZINC000264269902 386222792 /nfs/dbraw/zinc/22/27/92/386222792.db2.gz FYGMBNWJTBQCKB-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](O)C(C)(C)C)CCCC1 ZINC000340291879 386225863 /nfs/dbraw/zinc/22/58/63/386225863.db2.gz MLNWEMBFDOLFOT-JTQLQIEISA-N 1 2 243.347 1.469 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCc1c[nH+]c[nH]1 ZINC000416167878 386230855 /nfs/dbraw/zinc/23/08/55/386230855.db2.gz VBVTVWDLSVZKRP-SNVBAGLBSA-N 1 2 225.292 1.087 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCc1c[nH]c[nH+]1 ZINC000416167878 386230859 /nfs/dbraw/zinc/23/08/59/386230859.db2.gz VBVTVWDLSVZKRP-SNVBAGLBSA-N 1 2 225.292 1.087 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCc1[nH]c[nH+]c1C ZINC000416172846 386232544 /nfs/dbraw/zinc/23/25/44/386232544.db2.gz YPKUYWRHNYHXII-NSHDSACASA-N 1 2 239.319 1.395 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(C)nc1 ZINC000339077640 386237962 /nfs/dbraw/zinc/23/79/62/386237962.db2.gz SIIYYFKVDNJKMK-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnc(C)nc1 ZINC000339077640 386237967 /nfs/dbraw/zinc/23/79/67/386237967.db2.gz SIIYYFKVDNJKMK-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CSC[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000264513694 386243937 /nfs/dbraw/zinc/24/39/37/386243937.db2.gz YEMYCXMQBHYAKW-VIFPVBQESA-N 1 2 241.360 1.378 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1cncc(C)c1)C2 ZINC000275994839 386260819 /nfs/dbraw/zinc/26/08/19/386260819.db2.gz GYYDNLMCCGVKFP-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1cncc(C)c1)C2 ZINC000275994839 386260822 /nfs/dbraw/zinc/26/08/22/386260822.db2.gz GYYDNLMCCGVKFP-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H](C)CO)cs1 ZINC000336645572 386251422 /nfs/dbraw/zinc/25/14/22/386251422.db2.gz IDQXMFDJMXPCKC-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H](C)CO)cs1 ZINC000336645572 386251430 /nfs/dbraw/zinc/25/14/30/386251430.db2.gz IDQXMFDJMXPCKC-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccoc2)n1 ZINC000336645042 386252243 /nfs/dbraw/zinc/25/22/43/386252243.db2.gz HMFLVUCPBCTKGL-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccoc2)n1 ZINC000336645042 386252248 /nfs/dbraw/zinc/25/22/48/386252248.db2.gz HMFLVUCPBCTKGL-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCCn1cc[nH+]c1 ZINC000414720544 386254846 /nfs/dbraw/zinc/25/48/46/386254846.db2.gz CLJFLQUIDNKOHT-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCCC[C@H]2C)[nH+]1 ZINC000408362313 386257354 /nfs/dbraw/zinc/25/73/54/386257354.db2.gz NIPFZCBIOCGJFA-MWLCHTKSSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000408362313 386257357 /nfs/dbraw/zinc/25/73/57/386257357.db2.gz NIPFZCBIOCGJFA-MWLCHTKSSA-N 1 2 249.362 1.659 20 0 BDADLO COc1ncncc1C[NH+]1CCSCC1 ZINC000648000853 386195008 /nfs/dbraw/zinc/19/50/08/386195008.db2.gz HRFOTVVUOMNGIR-UHFFFAOYSA-N 1 2 225.317 1.034 20 0 BDADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)[C@H]1C ZINC000416078281 386195371 /nfs/dbraw/zinc/19/53/71/386195371.db2.gz SLNLDHZDTPKRLF-WOPDTQHZSA-N 1 2 235.331 1.776 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(C)nn2)C[C@H](C)O1 ZINC000414376426 386199740 /nfs/dbraw/zinc/19/97/40/386199740.db2.gz CDQCXFVRBZQFIO-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(C)nn2)C[C@H](C)O1 ZINC000414376426 386199744 /nfs/dbraw/zinc/19/97/44/386199744.db2.gz CDQCXFVRBZQFIO-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CCC(=O)N1CC[N@H+](CC[C@@H](C)F)C1 ZINC000425505421 386284240 /nfs/dbraw/zinc/28/42/40/386284240.db2.gz AUIOTYJRCQPJPR-SECBINFHSA-N 1 2 202.273 1.246 20 0 BDADLO CCC(=O)N1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000425505421 386284244 /nfs/dbraw/zinc/28/42/44/386284244.db2.gz AUIOTYJRCQPJPR-SECBINFHSA-N 1 2 202.273 1.246 20 0 BDADLO c1cc([C@@H]2CCCC[N@H+]2Cc2cncnc2)n[nH]1 ZINC000289323005 386285410 /nfs/dbraw/zinc/28/54/10/386285410.db2.gz FYRITLGCAHBDAM-ZDUSSCGKSA-N 1 2 243.314 1.927 20 0 BDADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2cncnc2)n[nH]1 ZINC000289323005 386285417 /nfs/dbraw/zinc/28/54/17/386285417.db2.gz FYRITLGCAHBDAM-ZDUSSCGKSA-N 1 2 243.314 1.927 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC000276213618 386286994 /nfs/dbraw/zinc/28/69/94/386286994.db2.gz KXVQZYAZDGLCTG-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC000276213618 386286998 /nfs/dbraw/zinc/28/69/98/386286998.db2.gz KXVQZYAZDGLCTG-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO CO[C@H]1C[NH+](Cc2csc(C)n2)C[C@@H]1OC ZINC000336664869 386287226 /nfs/dbraw/zinc/28/72/26/386287226.db2.gz HYSMYGHPAAVSCB-QWRGUYRKSA-N 1 2 242.344 1.297 20 0 BDADLO COCc1cc(C[N@H+]2CC=C(C)CC2)no1 ZINC000297970484 386288652 /nfs/dbraw/zinc/28/86/52/386288652.db2.gz XFYYOZYSNVMSCX-UHFFFAOYSA-N 1 2 222.288 1.973 20 0 BDADLO COCc1cc(C[N@@H+]2CC=C(C)CC2)no1 ZINC000297970484 386288656 /nfs/dbraw/zinc/28/86/56/386288656.db2.gz XFYYOZYSNVMSCX-UHFFFAOYSA-N 1 2 222.288 1.973 20 0 BDADLO C[C@@H](O)CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289358714 386291230 /nfs/dbraw/zinc/29/12/30/386291230.db2.gz YZKFYDPIZBDNCV-PWSUYJOCSA-N 1 2 246.314 1.255 20 0 BDADLO C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000276253800 386293259 /nfs/dbraw/zinc/29/32/59/386293259.db2.gz MBYRNHJWBXTUIK-LURJTMIESA-N 1 2 232.291 1.156 20 0 BDADLO C[C@]1([NH2+]CCCc2ccccc2)CCOC1=O ZINC000289402852 386299933 /nfs/dbraw/zinc/29/99/33/386299933.db2.gz AENZBGZIMJMXMS-AWEZNQCLSA-N 1 2 233.311 1.914 20 0 BDADLO CCn1nncc1CNc1ccc(SC)c[nH+]1 ZINC000416424200 386300866 /nfs/dbraw/zinc/30/08/66/386300866.db2.gz BEROGZITTBWYOI-UHFFFAOYSA-N 1 2 249.343 1.449 20 0 BDADLO CCn1c[nH+]cc1CNc1cc(C)c(C)nn1 ZINC000416428052 386303631 /nfs/dbraw/zinc/30/36/31/386303631.db2.gz OYCDDUPJKMQSLV-UHFFFAOYSA-N 1 2 231.303 1.344 20 0 BDADLO CCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000298142026 386304545 /nfs/dbraw/zinc/30/45/45/386304545.db2.gz DLXKKAJDTFZRIR-UHFFFAOYSA-N 1 2 209.293 1.569 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000289433868 386305269 /nfs/dbraw/zinc/30/52/69/386305269.db2.gz SIPNLJDVEOQWKG-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000289433868 386305273 /nfs/dbraw/zinc/30/52/73/386305273.db2.gz SIPNLJDVEOQWKG-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO CC[C@@H](C(=O)NC(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339235832 386311887 /nfs/dbraw/zinc/31/18/87/386311887.db2.gz SAPBUDXECIGVBF-NEPJUHHUSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C(=O)NC(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339235832 386311891 /nfs/dbraw/zinc/31/18/91/386311891.db2.gz SAPBUDXECIGVBF-NEPJUHHUSA-N 1 2 242.363 1.400 20 0 BDADLO Nc1ccc(NC(=O)c2cc(C3CC3)on2)c[nH+]1 ZINC000262556952 386312486 /nfs/dbraw/zinc/31/24/86/386312486.db2.gz ZDMWIUVIJGIKTP-UHFFFAOYSA-N 1 2 244.254 1.782 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000347271019 386312581 /nfs/dbraw/zinc/31/25/81/386312581.db2.gz BUHOBHSJAVFIPU-ZWNOBZJWSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000347271019 386312586 /nfs/dbraw/zinc/31/25/86/386312586.db2.gz BUHOBHSJAVFIPU-ZWNOBZJWSA-N 1 2 239.315 1.424 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)C(C)(C)C ZINC000265200235 386315422 /nfs/dbraw/zinc/31/54/22/386315422.db2.gz JELTYHPKHDRKBQ-VIFPVBQESA-N 1 2 223.320 1.719 20 0 BDADLO CCc1cc(NC(=O)CCn2cc[nH+]c2)n(C)n1 ZINC000265226740 386319416 /nfs/dbraw/zinc/31/94/16/386319416.db2.gz UFGCLTPDSIHVRC-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C)n1)C(C)(C)O ZINC000292675570 386319884 /nfs/dbraw/zinc/31/98/84/386319884.db2.gz DJCPPWGRGCPRLA-VIFPVBQESA-N 1 2 209.293 1.746 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccno2)C[C@H](C)O1 ZINC000264731226 386266879 /nfs/dbraw/zinc/26/68/79/386266879.db2.gz PNDYXTMCKIPWHT-UWVGGRQHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccno2)C[C@H](C)O1 ZINC000264731226 386266884 /nfs/dbraw/zinc/26/68/84/386266884.db2.gz PNDYXTMCKIPWHT-UWVGGRQHSA-N 1 2 210.277 1.674 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)nn1 ZINC000414392844 386271846 /nfs/dbraw/zinc/27/18/46/386271846.db2.gz GVBOCFUGCUYGKK-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)nn1 ZINC000414392844 386271855 /nfs/dbraw/zinc/27/18/55/386271855.db2.gz GVBOCFUGCUYGKK-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)no1 ZINC000276444185 386324052 /nfs/dbraw/zinc/32/40/52/386324052.db2.gz AXHBZYKNYMWCLZ-SNVBAGLBSA-N 1 2 248.286 1.833 20 0 BDADLO Cc1nc(C[NH2+]C(C)(C)C(C)(C)O)no1 ZINC000223247150 386278108 /nfs/dbraw/zinc/27/81/08/386278108.db2.gz WIAVSVVBXOFYHP-UHFFFAOYSA-N 1 2 213.281 1.017 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)nc1 ZINC000339177146 386278505 /nfs/dbraw/zinc/27/85/05/386278505.db2.gz OAWZETOXKXFIDS-CYBMUJFWSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@](F)(CO)C2)nc1 ZINC000339177146 386278507 /nfs/dbraw/zinc/27/85/07/386278507.db2.gz OAWZETOXKXFIDS-CYBMUJFWSA-N 1 2 238.306 1.550 20 0 BDADLO Cc1noc(CCC[N@@H+](C)CC(F)F)n1 ZINC000336644572 386279629 /nfs/dbraw/zinc/27/96/29/386279629.db2.gz GRQPGXZLNIKYNQ-UHFFFAOYSA-N 1 2 219.235 1.508 20 0 BDADLO Cc1noc(CCC[N@H+](C)CC(F)F)n1 ZINC000336644572 386279632 /nfs/dbraw/zinc/27/96/32/386279632.db2.gz GRQPGXZLNIKYNQ-UHFFFAOYSA-N 1 2 219.235 1.508 20 0 BDADLO O=C(c1ccncc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335277997 386342808 /nfs/dbraw/zinc/34/28/08/386342808.db2.gz KPCKVJLETSUWOQ-LLVKDONJSA-N 1 2 242.282 1.782 20 0 BDADLO CO[C@@H](C)C[N@H+](Cc1noc(C)n1)C(C)C ZINC000336685828 386344016 /nfs/dbraw/zinc/34/40/16/386344016.db2.gz VTWAIPASUPJEOL-VIFPVBQESA-N 1 2 227.308 1.623 20 0 BDADLO CO[C@@H](C)C[N@@H+](Cc1noc(C)n1)C(C)C ZINC000336685828 386344020 /nfs/dbraw/zinc/34/40/20/386344020.db2.gz VTWAIPASUPJEOL-VIFPVBQESA-N 1 2 227.308 1.623 20 0 BDADLO CO[C@H](C)C[N@H+](Cc1noc(C)n1)C(C)C ZINC000336685826 386344439 /nfs/dbraw/zinc/34/44/39/386344439.db2.gz VTWAIPASUPJEOL-SECBINFHSA-N 1 2 227.308 1.623 20 0 BDADLO CO[C@H](C)C[N@@H+](Cc1noc(C)n1)C(C)C ZINC000336685826 386344443 /nfs/dbraw/zinc/34/44/43/386344443.db2.gz VTWAIPASUPJEOL-SECBINFHSA-N 1 2 227.308 1.623 20 0 BDADLO CCc1noc(C)c1CN1CCc2[nH+]c[nH]c2C1 ZINC000647933288 386346012 /nfs/dbraw/zinc/34/60/12/386346012.db2.gz IXXXNRUOAGVSJI-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000298460847 386350122 /nfs/dbraw/zinc/35/01/22/386350122.db2.gz LLCWTAWVOREOHZ-LLVKDONJSA-N 1 2 235.331 1.343 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000298460847 386350125 /nfs/dbraw/zinc/35/01/25/386350125.db2.gz LLCWTAWVOREOHZ-LLVKDONJSA-N 1 2 235.331 1.343 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC[C@H](C)O)s1 ZINC000347313196 386353146 /nfs/dbraw/zinc/35/31/46/386353146.db2.gz QLBCYRYWXMKFIE-JGVFFNPUSA-N 1 2 229.349 1.610 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC[C@H](C)O)s1 ZINC000347313196 386353150 /nfs/dbraw/zinc/35/31/50/386353150.db2.gz QLBCYRYWXMKFIE-JGVFFNPUSA-N 1 2 229.349 1.610 20 0 BDADLO CN(CC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276627518 386356441 /nfs/dbraw/zinc/35/64/41/386356441.db2.gz SBXBFFNJNITCKA-SNAWJCMRSA-N 1 2 205.261 1.291 20 0 BDADLO CCN1CC[N@H+](Cc2ccoc2C)[C@H](C)C1=O ZINC000335271986 386360039 /nfs/dbraw/zinc/36/00/39/386360039.db2.gz LOQMKVXJQZZPGL-SNVBAGLBSA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[N@@H+](Cc2ccoc2C)[C@H](C)C1=O ZINC000335271986 386360043 /nfs/dbraw/zinc/36/00/43/386360043.db2.gz LOQMKVXJQZZPGL-SNVBAGLBSA-N 1 2 236.315 1.641 20 0 BDADLO COC[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276670324 386362109 /nfs/dbraw/zinc/36/21/09/386362109.db2.gz ZBQZBUIDOGLEBT-ZWNMCFTASA-N 1 2 249.314 1.308 20 0 BDADLO CCO[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265749359 386364982 /nfs/dbraw/zinc/36/49/82/386364982.db2.gz IWLQMFVRSTYJSH-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@]1([NH2+]Cc2cccc3cc[nH]c32)CCOC1=O ZINC000289946053 386374150 /nfs/dbraw/zinc/37/41/50/386374150.db2.gz XEKABVBYBRXYRH-CQSZACIVSA-N 1 2 244.294 1.963 20 0 BDADLO C[C@@H](CNC(=O)C[C@@H]1C=CCC1)Cn1cc[nH+]c1 ZINC000265866589 386380878 /nfs/dbraw/zinc/38/08/78/386380878.db2.gz XXAWLIGDCZUUHR-QWHCGFSZSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000265870582 386381989 /nfs/dbraw/zinc/38/19/89/386381989.db2.gz YRQZFSXGGZCKPU-QWHCGFSZSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347395327 386382343 /nfs/dbraw/zinc/38/23/43/386382343.db2.gz ROJGLSVWKKKAAP-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347395327 386382347 /nfs/dbraw/zinc/38/23/47/386382347.db2.gz ROJGLSVWKKKAAP-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000366318695 386329046 /nfs/dbraw/zinc/32/90/46/386329046.db2.gz GCFCTCMWLIYJIC-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCc2ncccc2C1 ZINC000366318695 386329049 /nfs/dbraw/zinc/32/90/49/386329049.db2.gz GCFCTCMWLIYJIC-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000347333182 386331726 /nfs/dbraw/zinc/33/17/26/386331726.db2.gz JMOMFVBZVFCTNT-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000347333182 386331729 /nfs/dbraw/zinc/33/17/29/386331729.db2.gz JMOMFVBZVFCTNT-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347342586 386337931 /nfs/dbraw/zinc/33/79/31/386337931.db2.gz FEPALECXDBPTPZ-LBPRGKRZSA-N 1 2 230.327 1.725 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347342586 386337935 /nfs/dbraw/zinc/33/79/35/386337935.db2.gz FEPALECXDBPTPZ-LBPRGKRZSA-N 1 2 230.327 1.725 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nnc(C)s1 ZINC000339287077 386338323 /nfs/dbraw/zinc/33/83/23/386338323.db2.gz YKDQBYWBKSZMMU-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nnc(C)s1 ZINC000339287077 386338327 /nfs/dbraw/zinc/33/83/27/386338327.db2.gz YKDQBYWBKSZMMU-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO CC[C@@H](CO)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000290464684 386438774 /nfs/dbraw/zinc/43/87/74/386438774.db2.gz WRKLYCASVHMLHP-RYUDHWBXSA-N 1 2 246.314 1.255 20 0 BDADLO CC[C@@H](CO)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290464682 386440898 /nfs/dbraw/zinc/44/08/98/386440898.db2.gz WRKLYCASVHMLHP-NWDGAFQWSA-N 1 2 246.314 1.255 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](F)C(F)(F)F ZINC000290480003 386442205 /nfs/dbraw/zinc/44/22/05/386442205.db2.gz ZUHJLHHCYYWOCQ-ZCFIWIBFSA-N 1 2 239.172 1.235 20 0 BDADLO CC[C@H]1C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000290500933 386445282 /nfs/dbraw/zinc/44/52/82/386445282.db2.gz SLICQGKEJWATSB-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000290500933 386445287 /nfs/dbraw/zinc/44/52/87/386445287.db2.gz SLICQGKEJWATSB-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000266552481 386449318 /nfs/dbraw/zinc/44/93/18/386449318.db2.gz UVVBRHLLEVGCNE-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000266552481 386449323 /nfs/dbraw/zinc/44/93/23/386449323.db2.gz UVVBRHLLEVGCNE-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@@H]1OC ZINC000276933655 386391238 /nfs/dbraw/zinc/39/12/38/386391238.db2.gz UCLACFYMWDHAQR-AOOOYVTPSA-N 1 2 242.344 1.297 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ncc(C)s2)C[C@@H]1OC ZINC000276933655 386391244 /nfs/dbraw/zinc/39/12/44/386391244.db2.gz UCLACFYMWDHAQR-AOOOYVTPSA-N 1 2 242.344 1.297 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC[C@@H]2C)s1 ZINC000266017614 386391308 /nfs/dbraw/zinc/39/13/08/386391308.db2.gz OXAFIKOVPKKMNX-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC[C@@H]2C)s1 ZINC000266017614 386391312 /nfs/dbraw/zinc/39/13/12/386391312.db2.gz OXAFIKOVPKKMNX-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000266043030 386393116 /nfs/dbraw/zinc/39/31/16/386393116.db2.gz WQITULKSMDOBRE-UVWXRNBGSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccncc1 ZINC000266043030 386393117 /nfs/dbraw/zinc/39/31/17/386393117.db2.gz WQITULKSMDOBRE-UVWXRNBGSA-N 1 2 238.356 1.423 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cn1 ZINC000336704619 386393946 /nfs/dbraw/zinc/39/39/46/386393946.db2.gz NERVZEIPMILTSY-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cn1 ZINC000336704619 386393950 /nfs/dbraw/zinc/39/39/50/386393950.db2.gz NERVZEIPMILTSY-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000347358372 386394475 /nfs/dbraw/zinc/39/44/75/386394475.db2.gz SUNQLTKJJAIEBQ-LLVKDONJSA-N 1 2 227.235 1.279 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000347358372 386394477 /nfs/dbraw/zinc/39/44/77/386394477.db2.gz SUNQLTKJJAIEBQ-LLVKDONJSA-N 1 2 227.235 1.279 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000336700405 386400929 /nfs/dbraw/zinc/40/09/29/386400929.db2.gz KLGJBQCTQVXUNJ-JTQLQIEISA-N 1 2 241.335 1.735 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000336700405 386400933 /nfs/dbraw/zinc/40/09/33/386400933.db2.gz KLGJBQCTQVXUNJ-JTQLQIEISA-N 1 2 241.335 1.735 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nnc(CC)o2)C1 ZINC000347444901 386406643 /nfs/dbraw/zinc/40/66/43/386406643.db2.gz GECYUGNQYFCALM-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nnc(CC)o2)C1 ZINC000347444901 386406650 /nfs/dbraw/zinc/40/66/50/386406650.db2.gz GECYUGNQYFCALM-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@H](CNC(=O)CC(C)(F)F)Cn1cc[nH+]c1 ZINC000277108702 386408843 /nfs/dbraw/zinc/40/88/43/386408843.db2.gz MFKHEOIZYFCPJN-SECBINFHSA-N 1 2 245.273 1.681 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC1(C)C ZINC000299083236 386409284 /nfs/dbraw/zinc/40/92/84/386409284.db2.gz RJVGMZANEUWXSI-ZJUUUORDSA-N 1 2 236.319 1.369 20 0 BDADLO COc1ncncc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000648033474 386409867 /nfs/dbraw/zinc/40/98/67/386409867.db2.gz JDWUOKRIGWZJSY-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000648033474 386409873 /nfs/dbraw/zinc/40/98/73/386409873.db2.gz JDWUOKRIGWZJSY-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000266199283 386410106 /nfs/dbraw/zinc/41/01/06/386410106.db2.gz YODJFBARMWSBGN-ZDUSSCGKSA-N 1 2 248.326 1.370 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000266199283 386410112 /nfs/dbraw/zinc/41/01/12/386410112.db2.gz YODJFBARMWSBGN-ZDUSSCGKSA-N 1 2 248.326 1.370 20 0 BDADLO CCc1cc(N)nc(SC[C@@H](CC)OC)[nH+]1 ZINC000416901893 386410983 /nfs/dbraw/zinc/41/09/83/386410983.db2.gz CPWBVISEZVLQRT-SECBINFHSA-N 1 2 241.360 1.969 20 0 BDADLO CCc1cnc(C[NH2+]Cc2cnn(C)c2)s1 ZINC000164906779 386411493 /nfs/dbraw/zinc/41/14/93/386411493.db2.gz MRJNMSZVVFVMOL-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000237790210 386411639 /nfs/dbraw/zinc/41/16/39/386411639.db2.gz JGUZXEVORDINOK-CYBMUJFWSA-N 1 2 231.299 1.541 20 0 BDADLO CC(C)CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334498722 386418105 /nfs/dbraw/zinc/41/81/05/386418105.db2.gz NPBAJEMMSIAOGA-UWVGGRQHSA-N 1 2 236.319 1.844 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H]2C(F)F)cc[nH+]1 ZINC000647991864 386420287 /nfs/dbraw/zinc/42/02/87/386420287.db2.gz WDTYFIHLFJTIOH-VIFPVBQESA-N 1 2 241.241 1.683 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000336709361 386423284 /nfs/dbraw/zinc/42/32/84/386423284.db2.gz XBRRJGYQZUUBSE-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000336709361 386423288 /nfs/dbraw/zinc/42/32/88/386423288.db2.gz XBRRJGYQZUUBSE-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cn1nncc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000290348764 386423915 /nfs/dbraw/zinc/42/39/15/386423915.db2.gz FYQWBMTXFFBHJN-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1nncc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000290348764 386423920 /nfs/dbraw/zinc/42/39/20/386423920.db2.gz FYQWBMTXFFBHJN-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000336279707 386427829 /nfs/dbraw/zinc/42/78/29/386427829.db2.gz NULWTQWFOGVFLS-LBPRGKRZSA-N 1 2 227.254 1.996 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000336279707 386427834 /nfs/dbraw/zinc/42/78/34/386427834.db2.gz NULWTQWFOGVFLS-LBPRGKRZSA-N 1 2 227.254 1.996 20 0 BDADLO CCc1cccnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000347519469 386429240 /nfs/dbraw/zinc/42/92/40/386429240.db2.gz KSQNZPVBQSVTKS-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CCc1cccnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000347519469 386429243 /nfs/dbraw/zinc/42/92/43/386429243.db2.gz KSQNZPVBQSVTKS-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO C[N@H+](Cc1ccco1)[C@H]1CCN(C2CC2)C1=O ZINC000336713672 386429308 /nfs/dbraw/zinc/42/93/08/386429308.db2.gz SSSFWYCAIYTXNN-LBPRGKRZSA-N 1 2 234.299 1.475 20 0 BDADLO C[N@@H+](Cc1ccco1)[C@H]1CCN(C2CC2)C1=O ZINC000336713672 386429311 /nfs/dbraw/zinc/42/93/11/386429311.db2.gz SSSFWYCAIYTXNN-LBPRGKRZSA-N 1 2 234.299 1.475 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000336713508 386429561 /nfs/dbraw/zinc/42/95/61/386429561.db2.gz SQCGFGZRJAHMHC-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(C)n(C)n1 ZINC000336713508 386429565 /nfs/dbraw/zinc/42/95/65/386429565.db2.gz SQCGFGZRJAHMHC-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1ccnc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000277440226 386436152 /nfs/dbraw/zinc/43/61/52/386436152.db2.gz NDMNCYSXQVSERB-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO CC1(C)C[N@H+](CC(=O)NC2CCCC2)CCO1 ZINC000335330240 386469908 /nfs/dbraw/zinc/46/99/08/386469908.db2.gz GCHGFUSWKGUNLT-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)NC2CCCC2)CCO1 ZINC000335330240 386469917 /nfs/dbraw/zinc/46/99/17/386469917.db2.gz GCHGFUSWKGUNLT-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339574718 386471740 /nfs/dbraw/zinc/47/17/40/386471740.db2.gz BWRRJFBNKYONKD-UWVGGRQHSA-N 1 2 222.336 1.837 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339574718 386471741 /nfs/dbraw/zinc/47/17/41/386471741.db2.gz BWRRJFBNKYONKD-UWVGGRQHSA-N 1 2 222.336 1.837 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCCC(=O)N(C)C ZINC000266823451 386474064 /nfs/dbraw/zinc/47/40/64/386474064.db2.gz JDMJJGPLZSYDAX-UHFFFAOYSA-N 1 2 249.314 1.587 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000299631740 386475263 /nfs/dbraw/zinc/47/52/63/386475263.db2.gz OMMXYCUJWTYNCN-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000299631740 386475270 /nfs/dbraw/zinc/47/52/70/386475270.db2.gz OMMXYCUJWTYNCN-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)[C@H]1C ZINC000339562035 386475298 /nfs/dbraw/zinc/47/52/98/386475298.db2.gz FXWVWZXIAVLUNA-PTRXPTGYSA-N 1 2 236.290 1.692 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)[C@H]1C ZINC000339562035 386475303 /nfs/dbraw/zinc/47/53/03/386475303.db2.gz FXWVWZXIAVLUNA-PTRXPTGYSA-N 1 2 236.290 1.692 20 0 BDADLO CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000299654537 386478381 /nfs/dbraw/zinc/47/83/81/386478381.db2.gz LQFXWXMSWFCRGE-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2scnc2C)n1 ZINC000336778855 386479127 /nfs/dbraw/zinc/47/91/27/386479127.db2.gz MNHNKCVSDYNYJB-ZETCQYMHSA-N 1 2 238.316 1.994 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cccnc2)[nH]1 ZINC000336778987 386481866 /nfs/dbraw/zinc/48/18/66/386481866.db2.gz MXBGIFBUJXVWJX-QMMMGPOBSA-N 1 2 217.276 1.359 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)nn1C ZINC000266963835 386483256 /nfs/dbraw/zinc/48/32/56/386483256.db2.gz VBJQIKKTOHUQCV-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)co1 ZINC000290869793 386483716 /nfs/dbraw/zinc/48/37/16/386483716.db2.gz CLZGSOCWKFNNCH-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO COC(C)(C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290873764 386484000 /nfs/dbraw/zinc/48/40/00/386484000.db2.gz CTZFIXRSKACAMI-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)ccn1 ZINC000391213412 386487105 /nfs/dbraw/zinc/48/71/05/386487105.db2.gz DYPHYZHWJLRNTF-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCO[C@H](C)C1 ZINC000339585005 386488875 /nfs/dbraw/zinc/48/88/75/386488875.db2.gz RKGPJEMOQGRUQX-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CCO[C@H](C)C1 ZINC000339585005 386488881 /nfs/dbraw/zinc/48/88/81/386488881.db2.gz RKGPJEMOQGRUQX-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCO[C@H](C)C1 ZINC000339585006 386490079 /nfs/dbraw/zinc/49/00/79/386490079.db2.gz RKGPJEMOQGRUQX-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+]1CCO[C@H](C)C1 ZINC000339585006 386490084 /nfs/dbraw/zinc/49/00/84/386490084.db2.gz RKGPJEMOQGRUQX-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000290923372 386490517 /nfs/dbraw/zinc/49/05/17/386490517.db2.gz KXNPSJPSRCKSFD-ITGUQSILSA-N 1 2 245.326 1.662 20 0 BDADLO COC[C@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000494954169 533172658 /nfs/dbraw/zinc/17/26/58/533172658.db2.gz GOSNNLFERWWODT-PYLYLYNFSA-N 1 2 248.326 1.442 20 0 BDADLO COC[C@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000494954169 533172664 /nfs/dbraw/zinc/17/26/64/533172664.db2.gz GOSNNLFERWWODT-PYLYLYNFSA-N 1 2 248.326 1.442 20 0 BDADLO Cc1cc(N2CCO[C@@]3(CCCOC3)C2)nc[nH+]1 ZINC000343227735 386495803 /nfs/dbraw/zinc/49/58/03/386495803.db2.gz VPOABALPEOSPDV-ZDUSSCGKSA-N 1 2 249.314 1.171 20 0 BDADLO CCC[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290991264 386496444 /nfs/dbraw/zinc/49/64/44/386496444.db2.gz XHNMOSMDRVLXFM-JTQLQIEISA-N 1 2 221.304 1.662 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267195299 386509934 /nfs/dbraw/zinc/50/99/34/386509934.db2.gz NLIQPBKNZJARQU-KWQFWETISA-N 1 2 238.718 1.961 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267195299 386509938 /nfs/dbraw/zinc/50/99/38/386509938.db2.gz NLIQPBKNZJARQU-KWQFWETISA-N 1 2 238.718 1.961 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CCO1 ZINC000335449966 386520515 /nfs/dbraw/zinc/52/05/15/386520515.db2.gz ANSXEUVGPBMQOM-JTQLQIEISA-N 1 2 247.298 1.890 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CCO1 ZINC000335449966 386520521 /nfs/dbraw/zinc/52/05/21/386520521.db2.gz ANSXEUVGPBMQOM-JTQLQIEISA-N 1 2 247.298 1.890 20 0 BDADLO CCCC(C)(C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339701551 386522118 /nfs/dbraw/zinc/52/21/18/386522118.db2.gz OMCFIHLYKXYKFU-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000267288079 386523103 /nfs/dbraw/zinc/52/31/03/386523103.db2.gz QQDQAZVVJDCDTB-UHFFFAOYSA-N 1 2 240.328 1.574 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)CCn1cccn1 ZINC000290551897 386454072 /nfs/dbraw/zinc/45/40/72/386454072.db2.gz WWABUEWKXAWRHH-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)CCn1cccn1 ZINC000290551897 386454080 /nfs/dbraw/zinc/45/40/80/386454080.db2.gz WWABUEWKXAWRHH-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)CCn1cccn1 ZINC000290551897 386454083 /nfs/dbraw/zinc/45/40/83/386454083.db2.gz WWABUEWKXAWRHH-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000347661817 386460723 /nfs/dbraw/zinc/46/07/23/386460723.db2.gz ZGLWCBYSZRPMOJ-ZDUSSCGKSA-N 1 2 248.326 1.781 20 0 BDADLO CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000347661817 386460728 /nfs/dbraw/zinc/46/07/28/386460728.db2.gz ZGLWCBYSZRPMOJ-ZDUSSCGKSA-N 1 2 248.326 1.781 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nn1 ZINC000414439272 386464847 /nfs/dbraw/zinc/46/48/47/386464847.db2.gz WVKIEIUGOYNCDE-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)nn1 ZINC000414439272 386464851 /nfs/dbraw/zinc/46/48/51/386464851.db2.gz WVKIEIUGOYNCDE-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457859740 386464928 /nfs/dbraw/zinc/46/49/28/386464928.db2.gz OIERNFGLHHFANW-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CCC[C@@H](CNCC(F)(F)C[NH3+])C1 ZINC000414921618 386579296 /nfs/dbraw/zinc/57/92/96/386579296.db2.gz AVNYXWQSBCUWEB-VHSXEESVSA-N 1 2 220.307 1.996 20 0 BDADLO O=CN1CCC([NH2+]c2ccc3c(c2)CCO3)CC1 ZINC000278807875 386586559 /nfs/dbraw/zinc/58/65/59/386586559.db2.gz RTDKEEPVYUTAFC-UHFFFAOYSA-N 1 2 246.310 1.654 20 0 BDADLO CCc1ncc(C[N@H+](C(C)C)C2COC2)cn1 ZINC000414459970 386589389 /nfs/dbraw/zinc/58/93/89/386589389.db2.gz PPFUYCSABSQGHK-UHFFFAOYSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@@H+](C(C)C)C2COC2)cn1 ZINC000414459970 386589394 /nfs/dbraw/zinc/58/93/94/386589394.db2.gz PPFUYCSABSQGHK-UHFFFAOYSA-N 1 2 235.331 1.648 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/C(C)(C)C ZINC000291847011 386589890 /nfs/dbraw/zinc/58/98/90/386589890.db2.gz JMLQNVFHEMHWEO-AATRIKPKSA-N 1 2 221.304 1.639 20 0 BDADLO O=C(C(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278825634 386590042 /nfs/dbraw/zinc/59/00/42/386590042.db2.gz YKQAAYDPZFTDEP-SSDOTTSWSA-N 1 2 229.230 1.381 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C)CCC1 ZINC000267350878 386533841 /nfs/dbraw/zinc/53/38/41/386533841.db2.gz LWACIIQRZHMOHG-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)C(=O)N1CCCCC1 ZINC000135700329 386536008 /nfs/dbraw/zinc/53/60/08/386536008.db2.gz WBLIQPZABUMUBQ-LLVKDONJSA-N 1 2 233.315 1.895 20 0 BDADLO C[C@@H](NC(=O)CCCn1cccc1)c1[nH]cc[nH+]1 ZINC000519718322 386536514 /nfs/dbraw/zinc/53/65/14/386536514.db2.gz BLGRWYZEVBNFDC-LLVKDONJSA-N 1 2 246.314 1.869 20 0 BDADLO C[C@@H]1C[C@H]1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278504662 386536921 /nfs/dbraw/zinc/53/69/21/386536921.db2.gz XSDAOEQDTLOYMF-RQJHMYQMSA-N 1 2 232.291 1.013 20 0 BDADLO Cc1ccc(CNCC[N@H+]2CC=CCC2)nn1 ZINC000414451171 386537769 /nfs/dbraw/zinc/53/77/69/386537769.db2.gz ZUNDPTFUQWPPIG-UHFFFAOYSA-N 1 2 232.331 1.137 20 0 BDADLO Cc1ccc(CNCC[N@@H+]2CC=CCC2)nn1 ZINC000414451171 386537772 /nfs/dbraw/zinc/53/77/72/386537772.db2.gz ZUNDPTFUQWPPIG-UHFFFAOYSA-N 1 2 232.331 1.137 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(C(C)(C)O)C1 ZINC000278528530 386542433 /nfs/dbraw/zinc/54/24/33/386542433.db2.gz HXGGANFWJOHQGN-UHFFFAOYSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)ns1 ZINC000278569688 386550182 /nfs/dbraw/zinc/55/01/82/386550182.db2.gz KHBASJWMTBSHTL-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO C/C=C(\C)C(=O)NCCCn1cc[nH+]c1 ZINC000267537871 386551205 /nfs/dbraw/zinc/55/12/05/386551205.db2.gz WQGBKSSPYQMBGG-XCVCLJGOSA-N 1 2 207.277 1.356 20 0 BDADLO Cn1nc(C2CC2)nc1C[NH+]1CCCCC1 ZINC000335410221 386573111 /nfs/dbraw/zinc/57/31/11/386573111.db2.gz YXVUMPZVTBAEGS-UHFFFAOYSA-N 1 2 220.320 1.678 20 0 BDADLO CCN(C)C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000268105286 386619601 /nfs/dbraw/zinc/61/96/01/386619601.db2.gz BFKHINCYXHJHSL-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO CCN(C)C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000268105286 386619603 /nfs/dbraw/zinc/61/96/03/386619603.db2.gz BFKHINCYXHJHSL-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335497194 386620408 /nfs/dbraw/zinc/62/04/08/386620408.db2.gz ZBYPZIMQUAYNNU-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335497194 386620413 /nfs/dbraw/zinc/62/04/13/386620413.db2.gz ZBYPZIMQUAYNNU-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO Cc1ccc(C[N@H+](C2CC2)C2COC2)nn1 ZINC000414464952 386624346 /nfs/dbraw/zinc/62/43/46/386624346.db2.gz ZZNIFCQOWVQQBD-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1ccc(C[N@@H+](C2CC2)C2COC2)nn1 ZINC000414464952 386624351 /nfs/dbraw/zinc/62/43/51/386624351.db2.gz ZZNIFCQOWVQQBD-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO CC(C)[C@H]1C[C@H]([NH2+]CC(F)(F)CO)CS1 ZINC000336758063 386625164 /nfs/dbraw/zinc/62/51/64/386625164.db2.gz KJLSWWIZXPDWFP-DTWKUNHWSA-N 1 2 239.331 1.734 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](OC)c1ccccc1 ZINC000284026705 386625614 /nfs/dbraw/zinc/62/56/14/386625614.db2.gz PAFJVSVJCKBVMK-GFCCVEGCSA-N 1 2 237.299 1.479 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000284026705 386625618 /nfs/dbraw/zinc/62/56/18/386625618.db2.gz PAFJVSVJCKBVMK-GFCCVEGCSA-N 1 2 237.299 1.479 20 0 BDADLO CC[C@@H](C)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268184708 386629903 /nfs/dbraw/zinc/62/99/03/386629903.db2.gz LVNHLRDQAIIKFY-SECBINFHSA-N 1 2 230.333 1.381 20 0 BDADLO CCc1cc(N)nc(SCc2ccn(C)n2)[nH+]1 ZINC000279095797 386631010 /nfs/dbraw/zinc/63/10/10/386631010.db2.gz OHFPOCZOBMKXBB-UHFFFAOYSA-N 1 2 249.343 1.647 20 0 BDADLO C[C@H](CCO)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000279102838 386632911 /nfs/dbraw/zinc/63/29/11/386632911.db2.gz VKNZZWUVJFXRGG-PWSUYJOCSA-N 1 2 246.314 1.255 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C(C1CC1)C1CC1 ZINC000279136281 386636383 /nfs/dbraw/zinc/63/63/83/386636383.db2.gz CNUJLLXLNVFNLX-UHFFFAOYSA-N 1 2 247.342 1.908 20 0 BDADLO CC(C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279164991 386642438 /nfs/dbraw/zinc/64/24/38/386642438.db2.gz INTAPMIFYPCYON-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCCCC1 ZINC000279201399 386648452 /nfs/dbraw/zinc/64/84/52/386648452.db2.gz MTQJRCSSEAJJPK-UHFFFAOYSA-N 1 2 221.304 1.745 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@@H](C)CC(C)C)CCOC1 ZINC000337198668 386649837 /nfs/dbraw/zinc/64/98/37/386649837.db2.gz ZVSNGFKNTFIDER-WCQYABFASA-N 1 2 243.347 1.590 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ncnn1C ZINC000336782724 386650331 /nfs/dbraw/zinc/65/03/31/386650331.db2.gz YQHDMDYFBQHGJF-SSDOTTSWSA-N 1 2 240.694 1.912 20 0 BDADLO CCCC(C)(C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279212098 386650503 /nfs/dbraw/zinc/65/05/03/386650503.db2.gz MMWHPHLFKPNVOE-UHFFFAOYSA-N 1 2 223.320 1.956 20 0 BDADLO CCCC(C)(C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279212098 386650508 /nfs/dbraw/zinc/65/05/08/386650508.db2.gz MMWHPHLFKPNVOE-UHFFFAOYSA-N 1 2 223.320 1.956 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc[nH+]1 ZINC000328953546 386652731 /nfs/dbraw/zinc/65/27/31/386652731.db2.gz YBFZNGYMHYLIQK-KOLCDFICSA-N 1 2 246.310 1.756 20 0 BDADLO CC[C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)OC ZINC000292349633 386653859 /nfs/dbraw/zinc/65/38/59/386653859.db2.gz WGDBQPABYUKJAY-NSHDSACASA-N 1 2 247.298 1.489 20 0 BDADLO CC[N@H+](CC(=O)NC1CC1)Cc1ccncc1 ZINC000267930954 386599820 /nfs/dbraw/zinc/59/98/20/386599820.db2.gz SGJBIDBMSGUXHP-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CC[N@@H+](CC(=O)NC1CC1)Cc1ccncc1 ZINC000267930954 386599828 /nfs/dbraw/zinc/59/98/28/386599828.db2.gz SGJBIDBMSGUXHP-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CN(c1cc[nH+]c2ccncc21)[C@@H]1CCOC1 ZINC000267976883 386603479 /nfs/dbraw/zinc/60/34/79/386603479.db2.gz OGRPHTJGPCQIPW-SNVBAGLBSA-N 1 2 229.283 1.855 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178781278 386605084 /nfs/dbraw/zinc/60/50/84/386605084.db2.gz RKOFNHPLFQHQCK-SNVBAGLBSA-N 1 2 235.331 1.608 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)n1 ZINC000339771639 386607014 /nfs/dbraw/zinc/60/70/14/386607014.db2.gz KFKOOSKKGNOUJR-CQSZACIVSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)n1 ZINC000339771639 386607019 /nfs/dbraw/zinc/60/70/19/386607019.db2.gz KFKOOSKKGNOUJR-CQSZACIVSA-N 1 2 249.358 1.811 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335489745 386607252 /nfs/dbraw/zinc/60/72/52/386607252.db2.gz VHJDCXMIMLVGHG-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)C ZINC000278938181 386610018 /nfs/dbraw/zinc/61/00/18/386610018.db2.gz UHGAKYRZISQYMM-UHFFFAOYSA-N 1 2 209.293 1.375 20 0 BDADLO C[C@H]1OCC[C@@]1(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000278994230 386614907 /nfs/dbraw/zinc/61/49/07/386614907.db2.gz FDBHEFOPDJTIDM-NOZJJQNGSA-N 1 2 249.314 1.306 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000644994802 386659352 /nfs/dbraw/zinc/65/93/52/386659352.db2.gz QWPVVQSBRNIJMU-DTWKUNHWSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000644994802 386659355 /nfs/dbraw/zinc/65/93/55/386659355.db2.gz QWPVVQSBRNIJMU-DTWKUNHWSA-N 1 2 241.253 1.266 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000292394725 386661755 /nfs/dbraw/zinc/66/17/55/386661755.db2.gz SPKFROCMFKAENO-SECBINFHSA-N 1 2 209.245 1.335 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@@H]1CCOC1=O ZINC000292394725 386661758 /nfs/dbraw/zinc/66/17/58/386661758.db2.gz SPKFROCMFKAENO-SECBINFHSA-N 1 2 209.245 1.335 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccn(C)n1 ZINC000335525035 386668839 /nfs/dbraw/zinc/66/88/39/386668839.db2.gz RJPQJQSJBCKYNP-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccn(C)n1 ZINC000335525035 386668845 /nfs/dbraw/zinc/66/88/45/386668845.db2.gz RJPQJQSJBCKYNP-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO C[C@H]1[N@H+](Cc2ccn(C)n2)CCOC1(C)C ZINC000335524855 386669009 /nfs/dbraw/zinc/66/90/09/386669009.db2.gz HFGVEXACLDEXMF-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1[N@@H+](Cc2ccn(C)n2)CCOC1(C)C ZINC000335524855 386669013 /nfs/dbraw/zinc/66/90/13/386669013.db2.gz HFGVEXACLDEXMF-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO Cc1occc1C[NH2+]Cc1ncccn1 ZINC000520430939 386672078 /nfs/dbraw/zinc/67/20/78/386672078.db2.gz RYBJEGMNPHARDV-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO O=C(C1=CCCC1)N1CCn2c[nH+]cc2C1 ZINC000335519770 386657305 /nfs/dbraw/zinc/65/73/05/386657305.db2.gz HRQQENDXCLWBNF-UHFFFAOYSA-N 1 2 217.272 1.336 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)C(=O)OC ZINC000192854448 386686367 /nfs/dbraw/zinc/68/63/67/386686367.db2.gz FJLXPUMZPUWMDI-ZJUUUORDSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ncn(C)n1 ZINC000391899262 386692646 /nfs/dbraw/zinc/69/26/46/386692646.db2.gz DOJAXYRMLZFZKK-NXEZZACHSA-N 1 2 238.335 1.423 20 0 BDADLO C[C@H](CC(=O)NCc1[nH+]ccn1C)n1cccc1 ZINC000520567070 386694034 /nfs/dbraw/zinc/69/40/34/386694034.db2.gz IZTPQXVSQWEZLP-LLVKDONJSA-N 1 2 246.314 1.489 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cn1 ZINC000391931010 386696432 /nfs/dbraw/zinc/69/64/32/386696432.db2.gz GZUGCHYEUPVUEJ-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC(C)C)[C@@H](C)O ZINC000191962956 386731359 /nfs/dbraw/zinc/73/13/59/386731359.db2.gz BAPKCQMTSQVLOB-HBNTYKKESA-N 1 2 231.336 1.323 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ccn1 ZINC000330479656 386731273 /nfs/dbraw/zinc/73/12/73/386731273.db2.gz ZJJCLVAJCYQIIU-JTQLQIEISA-N 1 2 235.287 1.590 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)ccn1 ZINC000330479656 386731277 /nfs/dbraw/zinc/73/12/77/386731277.db2.gz ZJJCLVAJCYQIIU-JTQLQIEISA-N 1 2 235.287 1.590 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CCCCC1)[C@H](C)O ZINC000191963077 386731543 /nfs/dbraw/zinc/73/15/43/386731543.db2.gz PFVDXPPEWLNMMH-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)ccn1 ZINC000330479657 386731909 /nfs/dbraw/zinc/73/19/09/386731909.db2.gz ZJJCLVAJCYQIIU-SNVBAGLBSA-N 1 2 235.287 1.590 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)ccn1 ZINC000330479657 386731915 /nfs/dbraw/zinc/73/19/15/386731915.db2.gz ZJJCLVAJCYQIIU-SNVBAGLBSA-N 1 2 235.287 1.590 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC(C)C)[C@@H](C)O ZINC000191962948 386732061 /nfs/dbraw/zinc/73/20/61/386732061.db2.gz BAPKCQMTSQVLOB-GMTAPVOTSA-N 1 2 231.336 1.323 20 0 BDADLO CCn1cncc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000417974664 386732860 /nfs/dbraw/zinc/73/28/60/386732860.db2.gz VZRMOBIFPWVMIO-LLVKDONJSA-N 1 2 247.346 1.830 20 0 BDADLO CCn1cncc1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000417974664 386732863 /nfs/dbraw/zinc/73/28/63/386732863.db2.gz VZRMOBIFPWVMIO-LLVKDONJSA-N 1 2 247.346 1.830 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@H](C)c1cnn(C)c1 ZINC000417974664 386732869 /nfs/dbraw/zinc/73/28/69/386732869.db2.gz VZRMOBIFPWVMIO-LLVKDONJSA-N 1 2 247.346 1.830 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CC2(CCC2)C1 ZINC000335534433 386735388 /nfs/dbraw/zinc/73/53/88/386735388.db2.gz IYCHQPCRFKARHC-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO CC[N@@H+](Cc1coc(C)n1)C[C@H]1CCCO1 ZINC000647961330 386737539 /nfs/dbraw/zinc/73/75/39/386737539.db2.gz BCLCWHYVGCFPQQ-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[N@H+](Cc1coc(C)n1)C[C@H]1CCCO1 ZINC000647961330 386737544 /nfs/dbraw/zinc/73/75/44/386737544.db2.gz BCLCWHYVGCFPQQ-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccno1 ZINC000269013003 386738518 /nfs/dbraw/zinc/73/85/18/386738518.db2.gz NROFXDIPLDHVHE-UWVGGRQHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccno1 ZINC000269013003 386738522 /nfs/dbraw/zinc/73/85/22/386738522.db2.gz NROFXDIPLDHVHE-UWVGGRQHSA-N 1 2 210.277 1.674 20 0 BDADLO C[N@H+](Cc1ncnn1C(C)(C)C)CC(C)(C)O ZINC000330442768 386739315 /nfs/dbraw/zinc/73/93/15/386739315.db2.gz RTBPNUWJOPPMOT-UHFFFAOYSA-N 1 2 240.351 1.236 20 0 BDADLO C[N@@H+](Cc1ncnn1C(C)(C)C)CC(C)(C)O ZINC000330442768 386739322 /nfs/dbraw/zinc/73/93/22/386739322.db2.gz RTBPNUWJOPPMOT-UHFFFAOYSA-N 1 2 240.351 1.236 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000279673695 386717781 /nfs/dbraw/zinc/71/77/81/386717781.db2.gz FSCUEOWQYYKSFJ-LLVKDONJSA-N 1 2 237.299 1.261 20 0 BDADLO O=C(C1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357126690 386723193 /nfs/dbraw/zinc/72/31/93/386723193.db2.gz KMMULSAYLCZZMF-SECBINFHSA-N 1 2 205.261 1.483 20 0 BDADLO CC(C)C[C@@H](C)CNCC(F)(F)C[NH3+] ZINC000414928820 386724116 /nfs/dbraw/zinc/72/41/16/386724116.db2.gz NFXJRLQIDPVHEX-SECBINFHSA-N 1 2 208.296 1.852 20 0 BDADLO CCC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000292771450 386725442 /nfs/dbraw/zinc/72/54/42/386725442.db2.gz IXHHIKSNKXMOHS-SNAWJCMRSA-N 1 2 219.288 1.681 20 0 BDADLO COc1cc(C[N@@H+]2CCOC[C@H]2C)ccn1 ZINC000339863859 386726658 /nfs/dbraw/zinc/72/66/58/386726658.db2.gz BBLALTQTOPTFBV-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cc(C[N@H+]2CCOC[C@H]2C)ccn1 ZINC000339863859 386726663 /nfs/dbraw/zinc/72/66/63/386726663.db2.gz BBLALTQTOPTFBV-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO CC[NH+]1CCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000292791836 386726951 /nfs/dbraw/zinc/72/69/51/386726951.db2.gz VMHQUIWAYIRJCJ-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)no1 ZINC000348527676 386750958 /nfs/dbraw/zinc/75/09/58/386750958.db2.gz IEWRZMGQXODDMP-JGVFFNPUSA-N 1 2 247.245 1.628 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329644552 386753051 /nfs/dbraw/zinc/75/30/51/386753051.db2.gz ILFDAZGTLBWENB-FZMZJTMJSA-N 1 2 246.310 1.431 20 0 BDADLO COC[C@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000192285955 386756453 /nfs/dbraw/zinc/75/64/53/386756453.db2.gz GAOMUOAWKYOVAW-ZCFIWIBFSA-N 1 2 230.699 1.407 20 0 BDADLO COC[C@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000192285955 386756459 /nfs/dbraw/zinc/75/64/59/386756459.db2.gz GAOMUOAWKYOVAW-ZCFIWIBFSA-N 1 2 230.699 1.407 20 0 BDADLO O=C([O-])c1cccc(NCCCn2cc[nH+]c2)[nH+]1 ZINC000051042506 386759633 /nfs/dbraw/zinc/75/96/33/386759633.db2.gz ICTHUXOCFYJFQM-UHFFFAOYSA-N 1 2 246.270 1.479 20 0 BDADLO CC[N@H+](CCO)[C@H](C(=O)OC)c1ccsc1 ZINC000279945284 386759780 /nfs/dbraw/zinc/75/97/80/386759780.db2.gz HKHKVDQJQYVUGT-JTQLQIEISA-N 1 2 243.328 1.276 20 0 BDADLO CC[N@@H+](CCO)[C@H](C(=O)OC)c1ccsc1 ZINC000279945284 386759786 /nfs/dbraw/zinc/75/97/86/386759786.db2.gz HKHKVDQJQYVUGT-JTQLQIEISA-N 1 2 243.328 1.276 20 0 BDADLO Cc1cc(NCc2noc3c2CCCC3)nc[nH+]1 ZINC000340791090 386763539 /nfs/dbraw/zinc/76/35/39/386763539.db2.gz GHXFQNXRIQPBPK-UHFFFAOYSA-N 1 2 244.298 1.686 20 0 BDADLO c1cnc(C[N@@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000648067164 386766687 /nfs/dbraw/zinc/76/66/87/386766687.db2.gz JOQMQLAPNMRCKD-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000648067164 386766693 /nfs/dbraw/zinc/76/66/93/386766693.db2.gz JOQMQLAPNMRCKD-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO Cc1cnc(C[N@@H+](CC(N)=O)C(C)C)cn1 ZINC000330567550 386790479 /nfs/dbraw/zinc/79/04/79/386790479.db2.gz HCNZOPBCXVFFBE-UHFFFAOYSA-N 1 2 222.292 1.531 20 0 BDADLO Cc1cnc(C[N@H+](CC(N)=O)C(C)C)cn1 ZINC000330567550 386790488 /nfs/dbraw/zinc/79/04/88/386790488.db2.gz HCNZOPBCXVFFBE-UHFFFAOYSA-N 1 2 222.292 1.531 20 0 BDADLO COc1nccnc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000414507084 386791559 /nfs/dbraw/zinc/79/15/59/386791559.db2.gz AFJBRYUSGFYQBQ-NXEZZACHSA-N 1 2 239.294 1.856 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000330576229 386794070 /nfs/dbraw/zinc/79/40/70/386794070.db2.gz MUIRTQZSXYRESG-SNVBAGLBSA-N 1 2 220.276 1.285 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000330576229 386794076 /nfs/dbraw/zinc/79/40/76/386794076.db2.gz MUIRTQZSXYRESG-SNVBAGLBSA-N 1 2 220.276 1.285 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ncoc1C1CC1 ZINC000293081283 386772090 /nfs/dbraw/zinc/77/20/90/386772090.db2.gz NCBUAKKXJRXUNJ-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO COC1(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000648413059 386775279 /nfs/dbraw/zinc/77/52/79/386775279.db2.gz SVMJNIJMPYRBCA-UHFFFAOYSA-N 1 2 234.299 1.494 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](C)OC)C(=O)OCC ZINC000191222698 386778779 /nfs/dbraw/zinc/77/87/79/386778779.db2.gz PNFVRQABHYWAFM-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000269350622 386783355 /nfs/dbraw/zinc/78/33/55/386783355.db2.gz HTULRICVQCHLNZ-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](CC)OC)C(=O)OCC ZINC000336666999 386784883 /nfs/dbraw/zinc/78/48/83/386784883.db2.gz LYIIGNOEQJXLBR-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1c[nH+]c(CN[C@H]2COc3ccccc32)n1C ZINC000341006815 386816853 /nfs/dbraw/zinc/81/68/53/386816853.db2.gz CYGORKNIWUJIID-LBPRGKRZSA-N 1 2 243.310 1.952 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2COc3ccccc32)n1C ZINC000341006815 386816857 /nfs/dbraw/zinc/81/68/57/386816857.db2.gz CYGORKNIWUJIID-LBPRGKRZSA-N 1 2 243.310 1.952 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000293455482 386819934 /nfs/dbraw/zinc/81/99/34/386819934.db2.gz CVRWCTUMBFZIIA-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cccc(Cl)n1 ZINC000293455482 386819942 /nfs/dbraw/zinc/81/99/42/386819942.db2.gz CVRWCTUMBFZIIA-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C(C)C ZINC000280503565 386819997 /nfs/dbraw/zinc/81/99/97/386819997.db2.gz CHZAEHRVBRQELF-SNVBAGLBSA-N 1 2 239.319 1.457 20 0 BDADLO COC[C@@H](NCc1[nH+]cc(C)n1C)c1ccco1 ZINC000341018331 386822397 /nfs/dbraw/zinc/82/23/97/386822397.db2.gz UDMCAGIGVOEBPF-LLVKDONJSA-N 1 2 249.314 1.799 20 0 BDADLO c1[nH+]cn2c1CN(c1nc(C3CC3)ns1)CC2 ZINC000357587811 386808546 /nfs/dbraw/zinc/80/85/46/386808546.db2.gz VRWVXAINYOYLOG-UHFFFAOYSA-N 1 2 247.327 1.632 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn2cc(C)ccc2n1 ZINC000293429547 386815071 /nfs/dbraw/zinc/81/50/71/386815071.db2.gz AZRRPYZEFFUKNJ-ZDUSSCGKSA-N 1 2 245.326 1.863 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn2cc(C)ccc2n1 ZINC000293429547 386815076 /nfs/dbraw/zinc/81/50/76/386815076.db2.gz AZRRPYZEFFUKNJ-ZDUSSCGKSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CC1OCCCO1 ZINC000280458526 386815093 /nfs/dbraw/zinc/81/50/93/386815093.db2.gz GYUFTMPUPYVCBL-UHFFFAOYSA-N 1 2 236.271 1.482 20 0 BDADLO Cc1ccc2[nH+]c(CNc3cnn(C)c3)cn2c1 ZINC000341035978 386825358 /nfs/dbraw/zinc/82/53/58/386825358.db2.gz ZGSPYJOTHNFVFW-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000290143937 386828475 /nfs/dbraw/zinc/82/84/75/386828475.db2.gz KWDRTAHWFAZRQX-HDBBIHSSSA-N 1 2 242.344 1.516 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000293533864 386832670 /nfs/dbraw/zinc/83/26/70/386832670.db2.gz CAYMUBJVHOHWOH-RKDXNWHRSA-N 1 2 242.344 1.417 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000293533864 386832673 /nfs/dbraw/zinc/83/26/73/386832673.db2.gz CAYMUBJVHOHWOH-RKDXNWHRSA-N 1 2 242.344 1.417 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cnn(C)c2C)n1C ZINC000341083523 386835121 /nfs/dbraw/zinc/83/51/21/386835121.db2.gz WYQHEEZOYZISNY-JTQLQIEISA-N 1 2 247.346 1.621 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)c2cnn(C)c2C)n1C ZINC000341083523 386835124 /nfs/dbraw/zinc/83/51/24/386835124.db2.gz WYQHEEZOYZISNY-JTQLQIEISA-N 1 2 247.346 1.621 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280670648 386835287 /nfs/dbraw/zinc/83/52/87/386835287.db2.gz BJSYURVRYIJAEL-VIFPVBQESA-N 1 2 233.271 1.698 20 0 BDADLO c1ccc(NCCCOC[C@H]2CCOC2)[nH+]c1 ZINC000301333831 386837054 /nfs/dbraw/zinc/83/70/54/386837054.db2.gz FLTHZXOBAISFJG-GFCCVEGCSA-N 1 2 236.315 1.937 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC=CCC1 ZINC000280689784 386837160 /nfs/dbraw/zinc/83/71/60/386837160.db2.gz DGFSJGHFUYVCIA-LLVKDONJSA-N 1 2 233.315 1.733 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1CC(F)(F)C1 ZINC000293546064 386837194 /nfs/dbraw/zinc/83/71/94/386837194.db2.gz BLPCDWROYSOMDN-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO C[N@H+](CCF)Cc1cccc2nccn21 ZINC000293621643 386849309 /nfs/dbraw/zinc/84/93/09/386849309.db2.gz KTBDIFDYBYGLNQ-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO C[N@@H+](CCF)Cc1cccc2nccn21 ZINC000293621643 386849314 /nfs/dbraw/zinc/84/93/14/386849314.db2.gz KTBDIFDYBYGLNQ-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO CCN1CN(Cc2c[nH+]cn2C(C)C)CC1=O ZINC000425336189 386850162 /nfs/dbraw/zinc/85/01/62/386850162.db2.gz KECIVHADTMTOHB-UHFFFAOYSA-N 1 2 236.319 1.086 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1ccnn1C ZINC000425336425 386850181 /nfs/dbraw/zinc/85/01/81/386850181.db2.gz KXUXPYUIAZBWKR-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO COC[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000301555276 386853114 /nfs/dbraw/zinc/85/31/14/386853114.db2.gz RZWZOZWKCXVBRN-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000366727311 386891390 /nfs/dbraw/zinc/89/13/90/386891390.db2.gz AHUFAPQRIGQMEV-MNOVXSKESA-N 1 2 248.326 1.791 20 0 BDADLO CCC1(CC)[C@@H]([NH2+]CC(=O)OC)C[C@@H]1OC ZINC000191379555 386892945 /nfs/dbraw/zinc/89/29/45/386892945.db2.gz LLHGFMXGBGBJNG-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330676314 386854482 /nfs/dbraw/zinc/85/44/82/386854482.db2.gz UAOOURVCBUUDRP-PSASIEDQSA-N 1 2 249.314 1.313 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330676314 386854489 /nfs/dbraw/zinc/85/44/89/386854489.db2.gz UAOOURVCBUUDRP-PSASIEDQSA-N 1 2 249.314 1.313 20 0 BDADLO Cn1nnnc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000330703983 386857913 /nfs/dbraw/zinc/85/79/13/386857913.db2.gz LWXJEPKVUOMFOR-UHFFFAOYSA-N 1 2 249.293 1.374 20 0 BDADLO Cc1nc(N(C)C[C@@H](O)C2CC2)c(C)c(C)[nH+]1 ZINC000301673445 386865879 /nfs/dbraw/zinc/86/58/79/386865879.db2.gz PCSXCTQNZXJRKQ-GFCCVEGCSA-N 1 2 235.331 1.609 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000335745216 386865948 /nfs/dbraw/zinc/86/59/48/386865948.db2.gz SILVIPUKUKOALL-GXSJLCMTSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CC[C@@](C)(F)C1 ZINC000335745216 386865953 /nfs/dbraw/zinc/86/59/53/386865953.db2.gz SILVIPUKUKOALL-GXSJLCMTSA-N 1 2 209.268 1.972 20 0 BDADLO CSCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357937595 386869171 /nfs/dbraw/zinc/86/91/71/386869171.db2.gz QBFLAIIGENFHMB-UHFFFAOYSA-N 1 2 224.289 1.257 20 0 BDADLO Cc1nnc(CCNc2cc(C)[nH+]cn2)s1 ZINC000336739345 386870224 /nfs/dbraw/zinc/87/02/24/386870224.db2.gz PAFNIOJBMSBRQU-UHFFFAOYSA-N 1 2 235.316 1.021 20 0 BDADLO COC(=O)c1cc(C[NH+]2CC(C)(OC)C2)c[nH]1 ZINC000331580255 386872303 /nfs/dbraw/zinc/87/23/03/386872303.db2.gz SSDCPZWJCUEWLC-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000331613821 386875389 /nfs/dbraw/zinc/87/53/89/386875389.db2.gz PJABHUFGBLNMKN-KXUCPTDWSA-N 1 2 236.319 1.663 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000331613821 386875392 /nfs/dbraw/zinc/87/53/92/386875392.db2.gz PJABHUFGBLNMKN-KXUCPTDWSA-N 1 2 236.319 1.663 20 0 BDADLO Cc1cc(NCCCOC(F)F)nc[nH+]1 ZINC000336739307 386879010 /nfs/dbraw/zinc/87/90/10/386879010.db2.gz SKIYJWWSXLSGSS-UHFFFAOYSA-N 1 2 217.219 1.248 20 0 BDADLO Nc1nc(N2CC[C@H](CO)C2)[nH+]c2ccccc12 ZINC000301901530 386889576 /nfs/dbraw/zinc/88/95/76/386889576.db2.gz NLWRUZODZZKTCQ-VIFPVBQESA-N 1 2 244.298 1.031 20 0 BDADLO Cc1c[nH+]c(CNc2ccn(C(C)C)n2)n1C ZINC000341352190 386889752 /nfs/dbraw/zinc/88/97/52/386889752.db2.gz UQEFUHFQXUSGAU-UHFFFAOYSA-N 1 2 233.319 1.540 20 0 BDADLO Cc1nc(N2CC[C@@H]([C@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000302008852 386896771 /nfs/dbraw/zinc/89/67/71/386896771.db2.gz BNHIXHXAZMHVNC-CMPLNLGQSA-N 1 2 235.331 1.609 20 0 BDADLO Cc1cnc([C@H](C)NCc2[nH+]cc(C)n2C)o1 ZINC000341395819 386901299 /nfs/dbraw/zinc/90/12/99/386901299.db2.gz ZSUPXJNWCXXULA-JTQLQIEISA-N 1 2 234.303 1.876 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H]1CF ZINC000293918780 386903262 /nfs/dbraw/zinc/90/32/62/386903262.db2.gz AVMLQWUJSAURIZ-NSHDSACASA-N 1 2 247.273 1.908 20 0 BDADLO CN(CCF)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000293918672 386903610 /nfs/dbraw/zinc/90/36/10/386903610.db2.gz OKIOOKJGQSQYCP-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO Cc1nc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)no1 ZINC000248744887 386905810 /nfs/dbraw/zinc/90/58/10/386905810.db2.gz FGNTXPWFNAEZIW-DIYOJNKTSA-N 1 2 225.292 1.112 20 0 BDADLO Cc1nc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)no1 ZINC000248744887 386905814 /nfs/dbraw/zinc/90/58/14/386905814.db2.gz FGNTXPWFNAEZIW-DIYOJNKTSA-N 1 2 225.292 1.112 20 0 BDADLO Cc1cncc(NCCNc2cccc[nH+]2)n1 ZINC000358258637 386922265 /nfs/dbraw/zinc/92/22/65/386922265.db2.gz WGVJCICDQLRCNN-UHFFFAOYSA-N 1 2 229.287 1.704 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334868212 386925317 /nfs/dbraw/zinc/92/53/17/386925317.db2.gz LRZLKXMVSVPJAN-VHSXEESVSA-N 1 2 249.314 1.583 20 0 BDADLO CCCC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000331956803 386927819 /nfs/dbraw/zinc/92/78/19/386927819.db2.gz JKTCXNIMHDUNRH-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2scc(C)c2C1 ZINC000368010799 386928864 /nfs/dbraw/zinc/92/88/64/386928864.db2.gz ZYNCNZQKLNOFCD-VIFPVBQESA-N 1 2 239.340 1.976 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2scc(C)c2C1 ZINC000368010799 386928872 /nfs/dbraw/zinc/92/88/72/386928872.db2.gz ZYNCNZQKLNOFCD-VIFPVBQESA-N 1 2 239.340 1.976 20 0 BDADLO C[C@@H](O)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000302642379 386929844 /nfs/dbraw/zinc/92/98/44/386929844.db2.gz IMLKCWMRENINLZ-MRVPVSSYSA-N 1 2 232.287 1.029 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC2)C1 ZINC000334870390 386931471 /nfs/dbraw/zinc/93/14/71/386931471.db2.gz KMOVKVIHFPOPLI-VIFPVBQESA-N 1 2 234.303 1.081 20 0 BDADLO c1cc(CNc2cc(N3CCCC3)nc[nH+]2)n[nH]1 ZINC000302773575 386937058 /nfs/dbraw/zinc/93/70/58/386937058.db2.gz DFHNMMAHZWSSQO-UHFFFAOYSA-N 1 2 244.302 1.412 20 0 BDADLO c1cc(CNc2cc(N3CCCC3)[nH+]cn2)n[nH]1 ZINC000302773575 386937061 /nfs/dbraw/zinc/93/70/61/386937061.db2.gz DFHNMMAHZWSSQO-UHFFFAOYSA-N 1 2 244.302 1.412 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000334878214 386940703 /nfs/dbraw/zinc/94/07/03/386940703.db2.gz TYMXEDMIJREABJ-UONOGXRCSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000334878214 386940710 /nfs/dbraw/zinc/94/07/10/386940710.db2.gz TYMXEDMIJREABJ-UONOGXRCSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1cnc(NC(=O)N(C)Cc2[nH+]ccn2C)o1 ZINC000341703196 386952946 /nfs/dbraw/zinc/95/29/46/386952946.db2.gz QQYQDKWGMGXOBM-UHFFFAOYSA-N 1 2 249.274 1.380 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000331081983 386955615 /nfs/dbraw/zinc/95/56/15/386955615.db2.gz YCMCDQUIIFSDKJ-WPRPVWTQSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000331081983 386955618 /nfs/dbraw/zinc/95/56/18/386955618.db2.gz YCMCDQUIIFSDKJ-WPRPVWTQSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCc1[nH]c[nH+]c1C ZINC000331079725 386956919 /nfs/dbraw/zinc/95/69/19/386956919.db2.gz XFJJOQJNOLEYJC-LDYMZIIASA-N 1 2 239.319 1.395 20 0 BDADLO C[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000334886141 386958070 /nfs/dbraw/zinc/95/80/70/386958070.db2.gz ZFBNAHIGMFARIE-IUCAKERBSA-N 1 2 220.272 1.584 20 0 BDADLO COC(=O)C(C)(C)CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368331220 386958648 /nfs/dbraw/zinc/95/86/48/386958648.db2.gz NGNAPYSGJJUVBO-ZJUUUORDSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C(C)(C)CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368331220 386958656 /nfs/dbraw/zinc/95/86/56/386958656.db2.gz NGNAPYSGJJUVBO-ZJUUUORDSA-N 1 2 227.304 1.049 20 0 BDADLO CCCc1nc(C[NH2+][C@@](C)(CO)C(C)C)no1 ZINC000352919696 386969119 /nfs/dbraw/zinc/96/91/19/386969119.db2.gz XMIQDWVNKBRIRA-LBPRGKRZSA-N 1 2 241.335 1.519 20 0 BDADLO CC[C@H]1OCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331158626 386978238 /nfs/dbraw/zinc/97/82/38/386978238.db2.gz FEDCWWHZRVVBDI-WDEREUQCSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@H]1OCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331158626 386978240 /nfs/dbraw/zinc/97/82/40/386978240.db2.gz FEDCWWHZRVVBDI-WDEREUQCSA-N 1 2 237.303 1.231 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)[nH]1 ZINC000334907611 386982140 /nfs/dbraw/zinc/98/21/40/386982140.db2.gz RMWPPIYGOZYLCN-XPUUQOCRSA-N 1 2 248.252 1.886 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)[nH]1 ZINC000334907611 386982142 /nfs/dbraw/zinc/98/21/42/386982142.db2.gz RMWPPIYGOZYLCN-XPUUQOCRSA-N 1 2 248.252 1.886 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn(C)n1)c1nccn1C ZINC000341874790 386982495 /nfs/dbraw/zinc/98/24/95/386982495.db2.gz HTLOFPMGHHHTBI-NSHDSACASA-N 1 2 233.319 1.395 20 0 BDADLO CC[C@H](NCc1ccn(C)n1)c1[nH+]ccn1C ZINC000341874790 386982501 /nfs/dbraw/zinc/98/25/01/386982501.db2.gz HTLOFPMGHHHTBI-NSHDSACASA-N 1 2 233.319 1.395 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@H]1c1ncon1 ZINC000368542699 386984502 /nfs/dbraw/zinc/98/45/02/386984502.db2.gz HCISTDPTADMNBK-JTQLQIEISA-N 1 2 233.275 1.140 20 0 BDADLO FC(F)OC[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000353009662 386987540 /nfs/dbraw/zinc/98/75/40/386987540.db2.gz RDBVMSOWEKOXLU-QMMMGPOBSA-N 1 2 232.230 1.736 20 0 BDADLO FC(F)OC[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000353009662 386987545 /nfs/dbraw/zinc/98/75/45/386987545.db2.gz RDBVMSOWEKOXLU-QMMMGPOBSA-N 1 2 232.230 1.736 20 0 BDADLO CC(C)c1nnc(C[NH+]2[C@@H](C)C[C@@H]2C)[nH]1 ZINC000334915512 386989427 /nfs/dbraw/zinc/98/94/27/386989427.db2.gz PNGGSRQCCQQVDQ-IUCAKERBSA-N 1 2 208.309 1.911 20 0 BDADLO CC(C)[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331223315 386991440 /nfs/dbraw/zinc/99/14/40/386991440.db2.gz WLTPKFICTVPOTN-MNOVXSKESA-N 1 2 237.303 1.087 20 0 BDADLO CC(C)[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331223315 386991444 /nfs/dbraw/zinc/99/14/44/386991444.db2.gz WLTPKFICTVPOTN-MNOVXSKESA-N 1 2 237.303 1.087 20 0 BDADLO Cc1cnn(CC[NH2+][C@H](C)c2nc(C)no2)c1 ZINC000341899315 386998699 /nfs/dbraw/zinc/99/86/99/386998699.db2.gz GWVPRAXQVAXRLB-SECBINFHSA-N 1 2 235.291 1.234 20 0 BDADLO Cc1nc(C2CCC2)nn1Cc1c[nH+]cn1C ZINC000334958697 387037855 /nfs/dbraw/zinc/03/78/55/387037855.db2.gz PDJBFUVQPZOQFP-UHFFFAOYSA-N 1 2 231.303 1.636 20 0 BDADLO CC[C@@H](C[C@@H](C)CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000333984501 387047775 /nfs/dbraw/zinc/04/77/75/387047775.db2.gz HHFMEQFSNYACFN-SCZZXKLOSA-N 1 2 239.319 1.245 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC(C2CCCC2)C1 ZINC000369548676 387053122 /nfs/dbraw/zinc/05/31/22/387053122.db2.gz WKJRSXTYRPZAKW-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC(C2CCCC2)C1 ZINC000369548676 387053130 /nfs/dbraw/zinc/05/31/30/387053130.db2.gz WKJRSXTYRPZAKW-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CCSCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000369624191 387057432 /nfs/dbraw/zinc/05/74/32/387057432.db2.gz ZQQDIONTELLLSZ-VIFPVBQESA-N 1 2 227.333 1.960 20 0 BDADLO CCSCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000369624191 387057433 /nfs/dbraw/zinc/05/74/33/387057433.db2.gz ZQQDIONTELLLSZ-VIFPVBQESA-N 1 2 227.333 1.960 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1F ZINC000359125836 387057495 /nfs/dbraw/zinc/05/74/95/387057495.db2.gz VFYQHSRODVCWQK-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1F ZINC000359125836 387057499 /nfs/dbraw/zinc/05/74/99/387057499.db2.gz VFYQHSRODVCWQK-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369683825 387060898 /nfs/dbraw/zinc/06/08/98/387060898.db2.gz PMAKFGRHDJYSIB-CMPLNLGQSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369683825 387060900 /nfs/dbraw/zinc/06/09/00/387060900.db2.gz PMAKFGRHDJYSIB-CMPLNLGQSA-N 1 2 221.304 1.329 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369669759 387061447 /nfs/dbraw/zinc/06/14/47/387061447.db2.gz DYMKZKJALVRAMS-WCBMZHEXSA-N 1 2 225.317 1.149 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369669759 387061452 /nfs/dbraw/zinc/06/14/52/387061452.db2.gz DYMKZKJALVRAMS-WCBMZHEXSA-N 1 2 225.317 1.149 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)nc1 ZINC000334978445 387065125 /nfs/dbraw/zinc/06/51/25/387065125.db2.gz DPLJAYGGQWZYJK-GFCCVEGCSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)nc1 ZINC000334978445 387065129 /nfs/dbraw/zinc/06/51/29/387065129.db2.gz DPLJAYGGQWZYJK-GFCCVEGCSA-N 1 2 233.315 1.053 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368791141 387009045 /nfs/dbraw/zinc/00/90/45/387009045.db2.gz KFYPWZPPCRQPIK-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368791141 387009051 /nfs/dbraw/zinc/00/90/51/387009051.db2.gz KFYPWZPPCRQPIK-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368787263 387010041 /nfs/dbraw/zinc/01/00/41/387010041.db2.gz UNXFDDQRVUQUFP-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368787263 387010045 /nfs/dbraw/zinc/01/00/45/387010045.db2.gz UNXFDDQRVUQUFP-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368799873 387012332 /nfs/dbraw/zinc/01/23/32/387012332.db2.gz KBTOHFFCIAJUJO-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368799873 387012336 /nfs/dbraw/zinc/01/23/36/387012336.db2.gz KBTOHFFCIAJUJO-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000368843749 387015326 /nfs/dbraw/zinc/01/53/26/387015326.db2.gz HKDFKCAYIGQSBX-SBKJXLNCSA-N 1 2 247.342 1.979 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1F ZINC000333242938 387023039 /nfs/dbraw/zinc/02/30/39/387023039.db2.gz FDVRKUXLEDVPRI-JWYUURKGSA-N 1 2 237.278 1.131 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1F ZINC000333242938 387023041 /nfs/dbraw/zinc/02/30/41/387023041.db2.gz FDVRKUXLEDVPRI-JWYUURKGSA-N 1 2 237.278 1.131 20 0 BDADLO CCCCC[N@H+](CCO)Cc1nc(C)no1 ZINC000304036942 387026325 /nfs/dbraw/zinc/02/63/25/387026325.db2.gz HWSCZWJKPOSDPP-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1nc(C)no1 ZINC000304036942 387026327 /nfs/dbraw/zinc/02/63/27/387026327.db2.gz HWSCZWJKPOSDPP-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](F)C1 ZINC000334982327 387069303 /nfs/dbraw/zinc/06/93/03/387069303.db2.gz VPUHNBHVIYHXHH-VIFPVBQESA-N 1 2 223.251 1.388 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1nccs1 ZINC000185973891 387069720 /nfs/dbraw/zinc/06/97/20/387069720.db2.gz MJTZDDBOQNLHCI-LLVKDONJSA-N 1 2 239.344 1.373 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1nccs1 ZINC000185973891 387069724 /nfs/dbraw/zinc/06/97/24/387069724.db2.gz MJTZDDBOQNLHCI-LLVKDONJSA-N 1 2 239.344 1.373 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000334984407 387071947 /nfs/dbraw/zinc/07/19/47/387071947.db2.gz YSJIRKYWTFVPGB-TXEJJXNPSA-N 1 2 247.342 1.909 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC(=O)N1 ZINC000334983916 387072072 /nfs/dbraw/zinc/07/20/72/387072072.db2.gz DANPAAGZIIOMOI-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC(=O)N1 ZINC000334983916 387072080 /nfs/dbraw/zinc/07/20/80/387072080.db2.gz DANPAAGZIIOMOI-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO Cc1cc(CNC(=O)N2CC(F)C2)cc(C)[nH+]1 ZINC000334985871 387073965 /nfs/dbraw/zinc/07/39/65/387073965.db2.gz GOBHHZWCJFICAG-UHFFFAOYSA-N 1 2 237.278 1.562 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1CO ZINC000334985053 387074123 /nfs/dbraw/zinc/07/41/23/387074123.db2.gz AWCROMLVNXNTNA-BDAKNGLRSA-N 1 2 243.738 1.134 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1CO ZINC000334985053 387074127 /nfs/dbraw/zinc/07/41/27/387074127.db2.gz AWCROMLVNXNTNA-BDAKNGLRSA-N 1 2 243.738 1.134 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@H]1C)CC2 ZINC000369922302 387077860 /nfs/dbraw/zinc/07/78/60/387077860.db2.gz CQUUVOWXWQWASA-SCZZXKLOSA-N 1 2 219.288 1.190 20 0 BDADLO c1csc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000334989722 387078523 /nfs/dbraw/zinc/07/85/23/387078523.db2.gz SWPQPSDRNKWXTK-UHFFFAOYSA-N 1 2 224.329 1.756 20 0 BDADLO c1csc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000334989722 387078526 /nfs/dbraw/zinc/07/85/26/387078526.db2.gz SWPQPSDRNKWXTK-UHFFFAOYSA-N 1 2 224.329 1.756 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nn(C)cc2Cl)[C@H]1CO ZINC000334991442 387080104 /nfs/dbraw/zinc/08/01/04/387080104.db2.gz ZXVHYOIRVWOGBI-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nn(C)cc2Cl)[C@H]1CO ZINC000334991442 387080105 /nfs/dbraw/zinc/08/01/05/387080105.db2.gz ZXVHYOIRVWOGBI-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO Cc1cc(CNC(=O)N2CCC2)cc(C)[nH+]1 ZINC000334990696 387080242 /nfs/dbraw/zinc/08/02/42/387080242.db2.gz VZHROFJPZFUWOC-UHFFFAOYSA-N 1 2 219.288 1.614 20 0 BDADLO CCn1c[nH+]cc1CN1CC(C)(OC)C1 ZINC000418070272 387083586 /nfs/dbraw/zinc/08/35/86/387083586.db2.gz RFONXKQDTREKNG-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC[C@@H]1CCCO1 ZINC000070978937 387085449 /nfs/dbraw/zinc/08/54/49/387085449.db2.gz JMKFLMISLJWDBC-JTQLQIEISA-N 1 2 237.303 1.327 20 0 BDADLO C[C@](O)(C[N@@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263239 387096794 /nfs/dbraw/zinc/09/67/94/387096794.db2.gz YWZBSEPUVMJPGM-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@](O)(C[N@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263239 387096796 /nfs/dbraw/zinc/09/67/96/387096796.db2.gz YWZBSEPUVMJPGM-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@@](O)(C[N@@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263241 387097671 /nfs/dbraw/zinc/09/76/71/387097671.db2.gz YWZBSEPUVMJPGM-RNFRBKRXSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@@](O)(C[N@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263241 387097677 /nfs/dbraw/zinc/09/76/77/387097677.db2.gz YWZBSEPUVMJPGM-RNFRBKRXSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@]1(F)CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000336275424 387106157 /nfs/dbraw/zinc/10/61/57/387106157.db2.gz MLYUFRKJZCVWSL-SFYZADRCSA-N 1 2 229.217 1.734 20 0 BDADLO C[C@]1(F)CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000336275424 387106162 /nfs/dbraw/zinc/10/61/62/387106162.db2.gz MLYUFRKJZCVWSL-SFYZADRCSA-N 1 2 229.217 1.734 20 0 BDADLO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000352354385 387108095 /nfs/dbraw/zinc/10/80/95/387108095.db2.gz KPIFYIFHZNBISI-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CC[C@H]1CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000352354385 387108098 /nfs/dbraw/zinc/10/80/98/387108098.db2.gz KPIFYIFHZNBISI-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193391761 387111728 /nfs/dbraw/zinc/11/17/28/387111728.db2.gz FQLDLFRBKOYZDS-NSHDSACASA-N 1 2 223.324 1.222 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193391761 387111729 /nfs/dbraw/zinc/11/17/29/387111729.db2.gz FQLDLFRBKOYZDS-NSHDSACASA-N 1 2 223.324 1.222 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@H](C2CC2)C1 ZINC000336281433 387116445 /nfs/dbraw/zinc/11/64/45/387116445.db2.gz CPFLUFAMDMEWKY-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO CC(=O)c1csc(N2CC[NH+](C)CC2)n1 ZINC000070849041 387119703 /nfs/dbraw/zinc/11/97/03/387119703.db2.gz QODDSLBRSHRWMN-UHFFFAOYSA-N 1 2 225.317 1.098 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc[nH+]1 ZINC000333976346 387120405 /nfs/dbraw/zinc/12/04/05/387120405.db2.gz YNWGSJGHAGMSRL-MVWJERBFSA-N 1 2 244.294 1.366 20 0 BDADLO CCc1cc(N[C@H](C)c2nncn2C)nc[nH+]1 ZINC000050419841 387068002 /nfs/dbraw/zinc/06/80/02/387068002.db2.gz OHAPEASUHCBQSD-MRVPVSSYSA-N 1 2 232.291 1.341 20 0 BDADLO C[C@@H](Nc1cccc(-n2cc[nH+]c2)n1)C1CC1 ZINC000370746996 387141813 /nfs/dbraw/zinc/14/18/13/387141813.db2.gz KWHLKIOXWPNUSG-SNVBAGLBSA-N 1 2 228.299 1.900 20 0 BDADLO CCC[C@H](CC)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000353160433 387146722 /nfs/dbraw/zinc/14/67/22/387146722.db2.gz DIQSUIIZNKCLTB-IUCAKERBSA-N 1 2 234.290 1.679 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CCSC2)o1 ZINC000120041181 387151134 /nfs/dbraw/zinc/15/11/34/387151134.db2.gz NMJNAZWZAFXHDU-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CCSC2)o1 ZINC000120041181 387151136 /nfs/dbraw/zinc/15/11/36/387151136.db2.gz NMJNAZWZAFXHDU-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353187903 387153931 /nfs/dbraw/zinc/15/39/31/387153931.db2.gz FPMMGMDWCDIUEY-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353187903 387153936 /nfs/dbraw/zinc/15/39/36/387153936.db2.gz FPMMGMDWCDIUEY-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CO[C@@H]1CCC[C@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336331435 387159122 /nfs/dbraw/zinc/15/91/22/387159122.db2.gz XBNBMCVRNLTMAP-WCQYABFASA-N 1 2 248.326 1.956 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@H]2C)n1C1CC1 ZINC000336331515 387159199 /nfs/dbraw/zinc/15/91/99/387159199.db2.gz HMYNVBVNQIQCPW-RKDXNWHRSA-N 1 2 220.320 1.762 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1C1CC1 ZINC000336331515 387159203 /nfs/dbraw/zinc/15/92/03/387159203.db2.gz HMYNVBVNQIQCPW-RKDXNWHRSA-N 1 2 220.320 1.762 20 0 BDADLO Cc1nnc(N(C)CCCn2cc[nH+]c2)nc1C ZINC000359758209 387160133 /nfs/dbraw/zinc/16/01/33/387160133.db2.gz MTSJFCSKWWUORS-UHFFFAOYSA-N 1 2 246.318 1.211 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1ccnn1C ZINC000353261326 387165877 /nfs/dbraw/zinc/16/58/77/387165877.db2.gz QLINVAMMJBYOBE-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1ccnn1C ZINC000353261326 387165883 /nfs/dbraw/zinc/16/58/83/387165883.db2.gz QLINVAMMJBYOBE-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C2CC(O)C2)[nH+]1 ZINC000353282679 387171207 /nfs/dbraw/zinc/17/12/07/387171207.db2.gz PWZMMIUGVKMGKP-UHFFFAOYSA-N 1 2 232.287 1.226 20 0 BDADLO Cc1csc(C[N@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000371196016 387172192 /nfs/dbraw/zinc/17/21/92/387172192.db2.gz BFDBTNCEGWFAFO-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO Cc1csc(C[N@@H+]2CCNC(=O)C[C@@H]2C)n1 ZINC000371196016 387172196 /nfs/dbraw/zinc/17/21/96/387172196.db2.gz BFDBTNCEGWFAFO-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000229883423 387203655 /nfs/dbraw/zinc/20/36/55/387203655.db2.gz RVIFSCWYMOMHPU-SECBINFHSA-N 1 2 219.292 1.477 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2cccc(C)n2)C1 ZINC000571915274 387205343 /nfs/dbraw/zinc/20/53/43/387205343.db2.gz GGOABTXHELFUQE-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2cccc(C)n2)C1 ZINC000571915274 387205349 /nfs/dbraw/zinc/20/53/49/387205349.db2.gz GGOABTXHELFUQE-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000571939154 387207232 /nfs/dbraw/zinc/20/72/32/387207232.db2.gz LGOCVXIDMABYPW-LPEHRKFASA-N 1 2 239.319 1.506 20 0 BDADLO C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000300423584 387212426 /nfs/dbraw/zinc/21/24/26/387212426.db2.gz SLHJVUXRQIUIDY-OUJBWJOFSA-N 1 2 243.347 1.874 20 0 BDADLO C[N@H+](Cc1ncc(C(C)(C)C)o1)C1CC(O)C1 ZINC000353481896 387212566 /nfs/dbraw/zinc/21/25/66/387212566.db2.gz KYEMOPHMXYLCEX-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)C1CC(O)C1 ZINC000353481896 387212568 /nfs/dbraw/zinc/21/25/68/387212568.db2.gz KYEMOPHMXYLCEX-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncn(C)n2)c(C)c1 ZINC000092851851 387215706 /nfs/dbraw/zinc/21/57/06/387215706.db2.gz LDZXFFWIMXVACP-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO CCn1ccnc1C[N@H+]1CC=C(COC)CC1 ZINC000187691083 387223070 /nfs/dbraw/zinc/22/30/70/387223070.db2.gz QGUYSNQMQRSKMT-UHFFFAOYSA-N 1 2 235.331 1.682 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC=C(COC)CC1 ZINC000187691083 387223072 /nfs/dbraw/zinc/22/30/72/387223072.db2.gz QGUYSNQMQRSKMT-UHFFFAOYSA-N 1 2 235.331 1.682 20 0 BDADLO CCC[C@@H](C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000572046833 387227935 /nfs/dbraw/zinc/22/79/35/387227935.db2.gz OCUVMLDUQNUOKR-SECBINFHSA-N 1 2 245.348 1.028 20 0 BDADLO CCC[C@H](C)S(=O)(=O)NCc1c[nH+]cn1C ZINC000572046834 387228251 /nfs/dbraw/zinc/22/82/51/387228251.db2.gz OCUVMLDUQNUOKR-VIFPVBQESA-N 1 2 245.348 1.028 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCCS1)C1CC1 ZINC000230059398 387229311 /nfs/dbraw/zinc/22/93/11/387229311.db2.gz IIYMYKDZXIWRAL-QWRGUYRKSA-N 1 2 243.372 1.813 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCCCCO1 ZINC000572100086 387234492 /nfs/dbraw/zinc/23/44/92/387234492.db2.gz HWJBHAGVAMMNHT-UHFFFAOYSA-N 1 2 238.291 1.010 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)/C=C/C1CC1)CC2 ZINC000371704734 387242073 /nfs/dbraw/zinc/24/20/73/387242073.db2.gz YAJVWDOVAMXVPL-SNAWJCMRSA-N 1 2 231.299 1.500 20 0 BDADLO CCN(C[C@H](C)OC)c1cc(C)[nH+]cn1 ZINC000360229780 387248566 /nfs/dbraw/zinc/24/85/66/387248566.db2.gz GAIKARIEDZXLKL-JTQLQIEISA-N 1 2 209.293 1.646 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ccccn1)c1nncn1C ZINC000352491147 387249735 /nfs/dbraw/zinc/24/97/35/387249735.db2.gz OAJOJLUSYKISIR-GFCCVEGCSA-N 1 2 245.330 1.697 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CCC1 ZINC000514675227 387200778 /nfs/dbraw/zinc/20/07/78/387200778.db2.gz CZFZBDOTIPXLES-NWDGAFQWSA-N 1 2 233.315 1.436 20 0 BDADLO CO[C@H](C(=O)NCc1[nH]c[nH+]c1C)C(C)C ZINC000354016372 387312055 /nfs/dbraw/zinc/31/20/55/387312055.db2.gz YKHJAHHYOJJJSD-JTQLQIEISA-N 1 2 225.292 1.005 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1ccc[nH]1 ZINC000354026808 387314398 /nfs/dbraw/zinc/31/43/98/387314398.db2.gz ZLLQPVAQGXVCKK-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000354026808 387314405 /nfs/dbraw/zinc/31/44/05/387314405.db2.gz ZLLQPVAQGXVCKK-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000336491539 387319185 /nfs/dbraw/zinc/31/91/85/387319185.db2.gz ANADLFOOPIBVTN-RKDXNWHRSA-N 1 2 212.272 1.403 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000336491539 387319193 /nfs/dbraw/zinc/31/91/93/387319193.db2.gz ANADLFOOPIBVTN-RKDXNWHRSA-N 1 2 212.272 1.403 20 0 BDADLO CCCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120771725 387269277 /nfs/dbraw/zinc/26/92/77/387269277.db2.gz KGKITBRKMUWRLN-LBPRGKRZSA-N 1 2 234.299 1.861 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](F)C1 ZINC000360350315 387269724 /nfs/dbraw/zinc/26/97/24/387269724.db2.gz BFAXSYLRWYPCHN-BDAKNGLRSA-N 1 2 225.267 1.349 20 0 BDADLO COc1cc(NC(=O)NCc2[nH]cc[nH+]2)ccn1 ZINC000352520483 387286572 /nfs/dbraw/zinc/28/65/72/387286572.db2.gz YTSBVVIKLHNIGE-UHFFFAOYSA-N 1 2 247.258 1.135 20 0 BDADLO CC[C@H]1CN(c2nc(C)[nH+]cc2C)CCO1 ZINC000514822048 387290124 /nfs/dbraw/zinc/29/01/24/387290124.db2.gz MAZMNIYNSXTBCY-NSHDSACASA-N 1 2 221.304 1.709 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336472899 387301969 /nfs/dbraw/zinc/30/19/69/387301969.db2.gz OVSQHWHVCSVBOK-SECBINFHSA-N 1 2 244.298 1.185 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336472899 387301973 /nfs/dbraw/zinc/30/19/73/387301973.db2.gz OVSQHWHVCSVBOK-SECBINFHSA-N 1 2 244.298 1.185 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CC2(F)F)[nH+]1 ZINC000515306079 387360730 /nfs/dbraw/zinc/36/07/30/387360730.db2.gz UDTPQMAHVJMMML-SSDOTTSWSA-N 1 2 243.257 1.725 20 0 BDADLO CC(C)c1cccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000354331246 387362463 /nfs/dbraw/zinc/36/24/63/387362463.db2.gz CGULOFPMJMEEPF-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cscn1 ZINC000290101043 387373925 /nfs/dbraw/zinc/37/39/25/387373925.db2.gz HZJFTLIRWAMMNM-WEDXCCLWSA-N 1 2 228.317 1.208 20 0 BDADLO COC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354431591 387374729 /nfs/dbraw/zinc/37/47/29/387374729.db2.gz RSUCRULNSIUQLD-GFCCVEGCSA-N 1 2 235.331 1.875 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCc3cc(F)ccc32)n1 ZINC000287126064 387377043 /nfs/dbraw/zinc/37/70/43/387377043.db2.gz RKIAPNZLTSGTFZ-CYBMUJFWSA-N 1 2 246.289 1.731 20 0 BDADLO Cc1ccc(NCc2[nH+]ccn2C)cn1 ZINC000149821608 387381764 /nfs/dbraw/zinc/38/17/64/387381764.db2.gz PGGKFJNVKZYYNJ-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000360634963 387327083 /nfs/dbraw/zinc/32/70/83/387327083.db2.gz FMHXIIWXISIBOY-JTQLQIEISA-N 1 2 245.286 1.121 20 0 BDADLO Cn1cncc1C[NH2+][C@H]1COc2cccc(F)c21 ZINC000360709028 387340694 /nfs/dbraw/zinc/34/06/94/387340694.db2.gz BOWAVBXRXBAFMJ-NSHDSACASA-N 1 2 247.273 1.783 20 0 BDADLO Cc1nc(CNCc2[nH]cc[nH+]2)sc1C ZINC000165018486 387343886 /nfs/dbraw/zinc/34/38/86/387343886.db2.gz TUYRXUDUPMVFHX-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)no1 ZINC000336521781 387346804 /nfs/dbraw/zinc/34/68/04/387346804.db2.gz UUAXELPXIQKWNT-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)no1 ZINC000336521781 387346807 /nfs/dbraw/zinc/34/68/07/387346807.db2.gz UUAXELPXIQKWNT-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000361277834 387431213 /nfs/dbraw/zinc/43/12/13/387431213.db2.gz GFFRZYSBFCLVNS-WXLQGSQKSA-N 1 2 233.315 1.740 20 0 BDADLO CCC=C(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000361277834 387431216 /nfs/dbraw/zinc/43/12/16/387431216.db2.gz GFFRZYSBFCLVNS-WXLQGSQKSA-N 1 2 233.315 1.740 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)co1 ZINC000336591399 387431543 /nfs/dbraw/zinc/43/15/43/387431543.db2.gz KWAVNXBXXBEIDM-JTQLQIEISA-N 1 2 245.282 1.598 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)co1 ZINC000336591399 387431547 /nfs/dbraw/zinc/43/15/47/387431547.db2.gz KWAVNXBXXBEIDM-JTQLQIEISA-N 1 2 245.282 1.598 20 0 BDADLO C[N@H+](CCN1CCCOCC1)Cc1ccoc1 ZINC000361296313 387433555 /nfs/dbraw/zinc/43/35/55/387433555.db2.gz JIAWDWBZAHEDBW-UHFFFAOYSA-N 1 2 238.331 1.434 20 0 BDADLO C[N@@H+](CCN1CCCOCC1)Cc1ccoc1 ZINC000361296313 387433558 /nfs/dbraw/zinc/43/35/58/387433558.db2.gz JIAWDWBZAHEDBW-UHFFFAOYSA-N 1 2 238.331 1.434 20 0 BDADLO C[C@H](NCC[N@@H+]1CCCOCC1)c1ccon1 ZINC000361339893 387441937 /nfs/dbraw/zinc/44/19/37/387441937.db2.gz VWQOPXDOIRPQRM-NSHDSACASA-N 1 2 239.319 1.048 20 0 BDADLO C[C@H](NCC[N@H+]1CCCOCC1)c1ccon1 ZINC000361339893 387441940 /nfs/dbraw/zinc/44/19/40/387441940.db2.gz VWQOPXDOIRPQRM-NSHDSACASA-N 1 2 239.319 1.048 20 0 BDADLO Cc1nnc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)s1 ZINC000354901367 387444392 /nfs/dbraw/zinc/44/43/92/387444392.db2.gz RPUMJCQZNOZUDA-WCBMZHEXSA-N 1 2 241.360 1.582 20 0 BDADLO Cc1nnc(C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)s1 ZINC000354901367 387444399 /nfs/dbraw/zinc/44/43/99/387444399.db2.gz RPUMJCQZNOZUDA-WCBMZHEXSA-N 1 2 241.360 1.582 20 0 BDADLO c1cn2c(n1)C[N@H+](Cc1cccnc1)CC2 ZINC000336603029 387447337 /nfs/dbraw/zinc/44/73/37/387447337.db2.gz FYTJGFUDZYGWDF-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO c1cn2c(n1)C[N@@H+](Cc1cccnc1)CC2 ZINC000336603029 387447344 /nfs/dbraw/zinc/44/73/44/387447344.db2.gz FYTJGFUDZYGWDF-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO Cc1ccc(CCCN2CC(=O)N(C)C2)c[nH+]1 ZINC000354646193 387409477 /nfs/dbraw/zinc/40/94/77/387409477.db2.gz IFHBHBHVQJLYOJ-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nncn1C ZINC000162525631 387411316 /nfs/dbraw/zinc/41/13/16/387411316.db2.gz VVHUVZGXKHNHFK-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nncn1C ZINC000162525631 387411320 /nfs/dbraw/zinc/41/13/20/387411320.db2.gz VVHUVZGXKHNHFK-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+]2CCCOCC2)n1 ZINC000374028298 387412822 /nfs/dbraw/zinc/41/28/22/387412822.db2.gz YDVMZJLQHJLEOL-JTQLQIEISA-N 1 2 239.319 1.976 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+]2CCCOCC2)n1 ZINC000374028298 387412826 /nfs/dbraw/zinc/41/28/26/387412826.db2.gz YDVMZJLQHJLEOL-JTQLQIEISA-N 1 2 239.319 1.976 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n(C)n1 ZINC000572422000 387417711 /nfs/dbraw/zinc/41/77/11/387417711.db2.gz PMVBMSCUADIQKM-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000572422000 387417714 /nfs/dbraw/zinc/41/77/14/387417714.db2.gz PMVBMSCUADIQKM-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H]2C2CC2)no1 ZINC000374840964 387494247 /nfs/dbraw/zinc/49/42/47/387494247.db2.gz YKMHIUNICAKIJS-JTQLQIEISA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H]2C2CC2)no1 ZINC000374840964 387494252 /nfs/dbraw/zinc/49/42/52/387494252.db2.gz YKMHIUNICAKIJS-JTQLQIEISA-N 1 2 237.303 1.590 20 0 BDADLO COC(=O)C[N@H+]1CC=C(c2cnccc2C)CC1 ZINC000375003321 387506548 /nfs/dbraw/zinc/50/65/48/387506548.db2.gz GAGPLQWXLMUPIR-UHFFFAOYSA-N 1 2 246.310 1.652 20 0 BDADLO COC(=O)C[N@@H+]1CC=C(c2cnccc2C)CC1 ZINC000375003321 387506549 /nfs/dbraw/zinc/50/65/49/387506549.db2.gz GAGPLQWXLMUPIR-UHFFFAOYSA-N 1 2 246.310 1.652 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC1CCCCC1)[C@@H](C)O ZINC000361605353 387510992 /nfs/dbraw/zinc/51/09/92/387510992.db2.gz WUPNYHOLNGXAES-ZYHUDNBSSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nccn2C)o1 ZINC000053036775 387511392 /nfs/dbraw/zinc/51/13/92/387511392.db2.gz UDBSSCBRCGQSBZ-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO CCCn1cc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000355283170 387512164 /nfs/dbraw/zinc/51/21/64/387512164.db2.gz QNIITYMHMAVSPF-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCCn1cc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000355283170 387512168 /nfs/dbraw/zinc/51/21/68/387512168.db2.gz QNIITYMHMAVSPF-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(Cl)cc2)n1 ZINC000290106185 387514395 /nfs/dbraw/zinc/51/43/95/387514395.db2.gz KRVVKJKHHRCXHI-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000361640377 387515532 /nfs/dbraw/zinc/51/55/32/387515532.db2.gz UIGJDRYLDRWRMW-UTLUCORTSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000361640377 387515536 /nfs/dbraw/zinc/51/55/36/387515536.db2.gz UIGJDRYLDRWRMW-UTLUCORTSA-N 1 2 215.293 1.047 20 0 BDADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ncccn1 ZINC000361748354 387528895 /nfs/dbraw/zinc/52/88/95/387528895.db2.gz AOQXWAZYTCPAMI-SNVBAGLBSA-N 1 2 249.339 1.670 20 0 BDADLO Cc1n[nH]cc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000375381770 387536813 /nfs/dbraw/zinc/53/68/13/387536813.db2.gz TYYMUONWPZSZNC-UHFFFAOYSA-N 1 2 245.330 1.821 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCOCC2)nn1 ZINC000367379244 387464638 /nfs/dbraw/zinc/46/46/38/387464638.db2.gz ZERAQPCOJZDZCS-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCOCC2)nn1 ZINC000367379244 387464640 /nfs/dbraw/zinc/46/46/40/387464640.db2.gz ZERAQPCOJZDZCS-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424062365 387473996 /nfs/dbraw/zinc/47/39/96/387473996.db2.gz GXZGBJZKMKJMIC-ZSBIGDGJSA-N 1 2 248.330 1.371 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1ccc[nH]1)CC2 ZINC000374676793 387480138 /nfs/dbraw/zinc/48/01/38/387480138.db2.gz HXTVLLLTHJLWIC-UHFFFAOYSA-N 1 2 244.298 1.105 20 0 BDADLO COC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000355092918 387480663 /nfs/dbraw/zinc/48/06/63/387480663.db2.gz ZGOHBFKWNYQGDM-TUAOUCFPSA-N 1 2 243.347 1.590 20 0 BDADLO CC(C)n1nccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000355124630 387482999 /nfs/dbraw/zinc/48/29/99/387482999.db2.gz ORIIQCVUJQGTHW-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccncc1)CC2 ZINC000374700269 387483146 /nfs/dbraw/zinc/48/31/46/387483146.db2.gz VTCRSZBMOLPZOA-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000355162459 387489491 /nfs/dbraw/zinc/48/94/91/387489491.db2.gz WSKMLBKDVZHCHF-CYZMBNFOSA-N 1 2 233.311 1.941 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1noc(C)n1 ZINC000375787120 387581438 /nfs/dbraw/zinc/58/14/38/387581438.db2.gz FZPMQEIENBLUBD-CXWACVEQSA-N 1 2 249.314 1.233 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1noc(C)n1 ZINC000375787120 387581443 /nfs/dbraw/zinc/58/14/43/387581443.db2.gz FZPMQEIENBLUBD-CXWACVEQSA-N 1 2 249.314 1.233 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@@H]2C)oc1C ZINC000375828414 387584981 /nfs/dbraw/zinc/58/49/81/387584981.db2.gz DZYUEBFTWIDABU-QMMMGPOBSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@@H]2C)oc1C ZINC000375828414 387584987 /nfs/dbraw/zinc/58/49/87/387584987.db2.gz DZYUEBFTWIDABU-QMMMGPOBSA-N 1 2 237.303 1.002 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCOCC[C@@H]1C ZINC000362241312 387586626 /nfs/dbraw/zinc/58/66/26/387586626.db2.gz YNRKQRQAVYLIOM-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCOCC[C@@H]1C ZINC000362241312 387586629 /nfs/dbraw/zinc/58/66/29/387586629.db2.gz YNRKQRQAVYLIOM-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCc1ccc([C@@H](CO)[NH2+]Cc2cc[nH]n2)cc1 ZINC000305270043 387590767 /nfs/dbraw/zinc/59/07/67/387590767.db2.gz SOHUEULXGSEYRU-CQSZACIVSA-N 1 2 245.326 1.795 20 0 BDADLO O=C(CCCC(F)(F)F)NCCn1cc[nH+]c1 ZINC000355987836 387602693 /nfs/dbraw/zinc/60/26/93/387602693.db2.gz WAUHCRBBDNFZDO-UHFFFAOYSA-N 1 2 249.236 1.732 20 0 BDADLO CC[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000362428438 387611912 /nfs/dbraw/zinc/61/19/12/387611912.db2.gz ACVMJENKXHYJOE-HNNXBMFYSA-N 1 2 240.250 1.714 20 0 BDADLO Cc1noc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000124421061 387618782 /nfs/dbraw/zinc/61/87/82/387618782.db2.gz XUPFJAOWFNPRMJ-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO Cc1noc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000124421061 387618791 /nfs/dbraw/zinc/61/87/91/387618791.db2.gz XUPFJAOWFNPRMJ-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO Cc1noc(CN(C)CCCn2cc[nH+]c2)n1 ZINC000124421061 387618797 /nfs/dbraw/zinc/61/87/97/387618797.db2.gz XUPFJAOWFNPRMJ-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO Cc1noc(C[N@H+](C)CCCn2ccnc2)n1 ZINC000124421061 387618803 /nfs/dbraw/zinc/61/88/03/387618803.db2.gz XUPFJAOWFNPRMJ-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO Cc1noc(C[N@@H+](C)CCCn2ccnc2)n1 ZINC000124421061 387618805 /nfs/dbraw/zinc/61/88/05/387618805.db2.gz XUPFJAOWFNPRMJ-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CCC[C@H]1c1nccs1 ZINC000361942636 387553651 /nfs/dbraw/zinc/55/36/51/387553651.db2.gz XDAJBRIHSVKNIA-IUCAKERBSA-N 1 2 237.328 1.169 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CCC[C@H]1c1nccs1 ZINC000361942636 387553656 /nfs/dbraw/zinc/55/36/56/387553656.db2.gz XDAJBRIHSVKNIA-IUCAKERBSA-N 1 2 237.328 1.169 20 0 BDADLO OCC[N@H+](Cc1cc[nH]n1)Cc1cccc(F)c1 ZINC000426383021 387562346 /nfs/dbraw/zinc/56/23/46/387562346.db2.gz UNWLHKQFSOZKBW-UHFFFAOYSA-N 1 2 249.289 1.543 20 0 BDADLO OCC[N@@H+](Cc1cc[nH]n1)Cc1cccc(F)c1 ZINC000426383021 387562349 /nfs/dbraw/zinc/56/23/49/387562349.db2.gz UNWLHKQFSOZKBW-UHFFFAOYSA-N 1 2 249.289 1.543 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000375697643 387569735 /nfs/dbraw/zinc/56/97/35/387569735.db2.gz MWWPISZYDRZITM-RKDXNWHRSA-N 1 2 239.275 1.016 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000375697643 387569740 /nfs/dbraw/zinc/56/97/40/387569740.db2.gz MWWPISZYDRZITM-RKDXNWHRSA-N 1 2 239.275 1.016 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362088606 387571140 /nfs/dbraw/zinc/57/11/40/387571140.db2.gz GCYKZPKPIAVBCF-VHSXEESVSA-N 1 2 239.319 1.253 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362088606 387571143 /nfs/dbraw/zinc/57/11/43/387571143.db2.gz GCYKZPKPIAVBCF-VHSXEESVSA-N 1 2 239.319 1.253 20 0 BDADLO C[C@@H](F)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000356664101 387694740 /nfs/dbraw/zinc/69/47/40/387694740.db2.gz ZYPNTYOWJJSYOX-SNVBAGLBSA-N 1 2 249.289 1.741 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363188366 387695078 /nfs/dbraw/zinc/69/50/78/387695078.db2.gz JKTZLBNCIBXLNI-NEPJUHHUSA-N 1 2 240.347 1.156 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363188366 387695083 /nfs/dbraw/zinc/69/50/83/387695083.db2.gz JKTZLBNCIBXLNI-NEPJUHHUSA-N 1 2 240.347 1.156 20 0 BDADLO C[C@H]1[C@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000362673974 387647329 /nfs/dbraw/zinc/64/73/29/387647329.db2.gz YQONYOWPFJUHLD-ONGXEEELSA-N 1 2 233.315 1.561 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3cccnc3)[C@H]12 ZINC000376549463 387650746 /nfs/dbraw/zinc/65/07/46/387650746.db2.gz YIAQCXZQUNBSID-RYUDHWBXSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3cccnc3)[C@H]12 ZINC000376549463 387650751 /nfs/dbraw/zinc/65/07/51/387650751.db2.gz YIAQCXZQUNBSID-RYUDHWBXSA-N 1 2 232.283 1.219 20 0 BDADLO CC[C@H](NC(=O)c1ccco1)c1[nH]cc[nH+]1 ZINC000125338757 387651615 /nfs/dbraw/zinc/65/16/15/387651615.db2.gz BLFCMNLOOKODOK-QMMMGPOBSA-N 1 2 219.244 1.884 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000362781160 387658628 /nfs/dbraw/zinc/65/86/28/387658628.db2.gz LGINXCLLXDGBQQ-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363202323 387695790 /nfs/dbraw/zinc/69/57/90/387695790.db2.gz PMRQXQQZDHIIAQ-WDEREUQCSA-N 1 2 235.331 1.606 20 0 BDADLO O=C(CC1CC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000362860194 387666783 /nfs/dbraw/zinc/66/67/83/387666783.db2.gz KDECJYBBSHNOSF-UHFFFAOYSA-N 1 2 247.342 1.678 20 0 BDADLO COC[C@H]([NH2+][C@@H](CC(C)C)C(=O)OC)C1CC1 ZINC000126169258 387673939 /nfs/dbraw/zinc/67/39/39/387673939.db2.gz MKKALXTYJZKSOO-RYUDHWBXSA-N 1 2 243.347 1.589 20 0 BDADLO CC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000440708532 387675423 /nfs/dbraw/zinc/67/54/23/387675423.db2.gz FIZDQSFKBVXGCH-UHFFFAOYSA-N 1 2 226.299 1.480 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCC[C@@H]2O)no1 ZINC000163498065 387681114 /nfs/dbraw/zinc/68/11/14/387681114.db2.gz AWOVGLCITQFSSX-UWVGGRQHSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCCC[C@@H]2O)no1 ZINC000163498065 387681119 /nfs/dbraw/zinc/68/11/19/387681119.db2.gz AWOVGLCITQFSSX-UWVGGRQHSA-N 1 2 225.292 1.113 20 0 BDADLO CC[C@@H](F)C[N@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000440714374 387681301 /nfs/dbraw/zinc/68/13/01/387681301.db2.gz PAXSTWAGFSSTOF-NXEZZACHSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000440714374 387681303 /nfs/dbraw/zinc/68/13/03/387681303.db2.gz PAXSTWAGFSSTOF-NXEZZACHSA-N 1 2 239.356 1.490 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cnn(CC)n2)cn1 ZINC000527733903 387682063 /nfs/dbraw/zinc/68/20/63/387682063.db2.gz ICDQOHIKGKROCU-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000356655231 387688731 /nfs/dbraw/zinc/68/87/31/387688731.db2.gz WXZOOFNMFMUZPJ-ZJUUUORDSA-N 1 2 239.294 1.310 20 0 BDADLO CC[C@@H](F)C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000440771596 387690481 /nfs/dbraw/zinc/69/04/81/387690481.db2.gz CRUXQEWCVLBOTH-KOLCDFICSA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@@H](F)C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000440771596 387690487 /nfs/dbraw/zinc/69/04/87/387690487.db2.gz CRUXQEWCVLBOTH-KOLCDFICSA-N 1 2 249.351 1.386 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)[nH]1 ZINC000441355076 387746816 /nfs/dbraw/zinc/74/68/16/387746816.db2.gz XVFKNHOEPRAJOH-ZJUUUORDSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](OC)C[C@H]2C)[nH]1 ZINC000441355076 387746823 /nfs/dbraw/zinc/74/68/23/387746823.db2.gz XVFKNHOEPRAJOH-ZJUUUORDSA-N 1 2 238.335 1.366 20 0 BDADLO Cn1ccc(N2CC[C@H](Nc3cccc[nH+]3)C2)n1 ZINC000377730437 387747076 /nfs/dbraw/zinc/74/70/76/387747076.db2.gz RSAIJOOVRVESJL-NSHDSACASA-N 1 2 243.314 1.506 20 0 BDADLO C[C@H]([NH2+]Cc1cnnn1C)c1ncccc1F ZINC000527826696 387746884 /nfs/dbraw/zinc/74/68/84/387746884.db2.gz RZTVJWOFXDCPNM-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO CCCc1nc(C[N@H+](CC)CCCO)no1 ZINC000128472978 387748017 /nfs/dbraw/zinc/74/80/17/387748017.db2.gz YVLGOONJNOLJFF-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCc1nc(C[N@@H+](CC)CCCO)no1 ZINC000128472978 387748023 /nfs/dbraw/zinc/74/80/23/387748023.db2.gz YVLGOONJNOLJFF-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000367779949 387752809 /nfs/dbraw/zinc/75/28/09/387752809.db2.gz APJHCZUKUQJJHD-QWRGUYRKSA-N 1 2 225.288 1.688 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000367779949 387752815 /nfs/dbraw/zinc/75/28/15/387752815.db2.gz APJHCZUKUQJJHD-QWRGUYRKSA-N 1 2 225.288 1.688 20 0 BDADLO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccn[nH]1 ZINC000527766652 387702230 /nfs/dbraw/zinc/70/22/30/387702230.db2.gz PEVSPBRORNBOKE-GZMMTYOYSA-N 1 2 207.277 1.067 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccncc2C)n1 ZINC000527737812 387704500 /nfs/dbraw/zinc/70/45/00/387704500.db2.gz XNAVIUZZBLXAIG-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CO[C@@H](C)C[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431412178 387708338 /nfs/dbraw/zinc/70/83/38/387708338.db2.gz DWXUUHMUFXTBTN-QMMMGPOBSA-N 1 2 237.278 1.581 20 0 BDADLO Cc1nc(N2C[C@@H]3COC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000367421208 387709099 /nfs/dbraw/zinc/70/90/99/387709099.db2.gz ZLNXRZLQRJWTRI-TXEJJXNPSA-N 1 2 233.315 1.484 20 0 BDADLO Cc1nnc(COc2cc[nH+]cc2)s1 ZINC000431510591 387712615 /nfs/dbraw/zinc/71/26/15/387712615.db2.gz TZGHNNDITRQQAV-UHFFFAOYSA-N 1 2 207.258 1.821 20 0 BDADLO CCCCc1noc([C@H](C)[N@H+](C)CCCO)n1 ZINC000440942525 387713960 /nfs/dbraw/zinc/71/39/60/387713960.db2.gz NRMCQOZVFTWNBB-JTQLQIEISA-N 1 2 241.335 1.787 20 0 BDADLO CCCCc1noc([C@H](C)[N@@H+](C)CCCO)n1 ZINC000440942525 387713966 /nfs/dbraw/zinc/71/39/66/387713966.db2.gz NRMCQOZVFTWNBB-JTQLQIEISA-N 1 2 241.335 1.787 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@H]2CCCO2)no1 ZINC000377492546 387720499 /nfs/dbraw/zinc/72/04/99/387720499.db2.gz FDTQGWVORRCJNH-ZJUUUORDSA-N 1 2 223.276 1.386 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@H]2CCCO2)no1 ZINC000377492546 387720509 /nfs/dbraw/zinc/72/05/09/387720509.db2.gz FDTQGWVORRCJNH-ZJUUUORDSA-N 1 2 223.276 1.386 20 0 BDADLO Cc1nc(N(C)[C@H](C)C2CCC2)nc(N(C)C)[nH+]1 ZINC000356789827 387722623 /nfs/dbraw/zinc/72/26/23/387722623.db2.gz GHWCDIGUHGIJSL-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@H](C)C2CCC2)[nH+]1 ZINC000356789827 387722629 /nfs/dbraw/zinc/72/26/29/387722629.db2.gz GHWCDIGUHGIJSL-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000356822123 387727854 /nfs/dbraw/zinc/72/78/54/387727854.db2.gz LQKGZYARWAVZBW-UWVGGRQHSA-N 1 2 207.277 1.318 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000356822123 387727858 /nfs/dbraw/zinc/72/78/58/387727858.db2.gz LQKGZYARWAVZBW-UWVGGRQHSA-N 1 2 207.277 1.318 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC=CCC1 ZINC000564015398 387729563 /nfs/dbraw/zinc/72/95/63/387729563.db2.gz SGIGRFLEPZNQEV-LLVKDONJSA-N 1 2 219.288 1.356 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CC[S@@](=O)C1 ZINC000527908228 387764673 /nfs/dbraw/zinc/76/46/73/387764673.db2.gz DKLKDUHXJPDOFL-VXJOIVPMSA-N 1 2 226.301 1.023 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@H]1CCOC1 ZINC000527912692 387765373 /nfs/dbraw/zinc/76/53/73/387765373.db2.gz GPOGQMOCSIECMZ-SNVBAGLBSA-N 1 2 222.288 1.563 20 0 BDADLO COC[C@H]1CCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000432168971 387770020 /nfs/dbraw/zinc/77/00/20/387770020.db2.gz HXBWEBJAOOKWOL-SECBINFHSA-N 1 2 232.287 1.491 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000378370322 387776787 /nfs/dbraw/zinc/77/67/87/387776787.db2.gz KXNZJICCHQOEMA-ZJUUUORDSA-N 1 2 237.303 1.119 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2oc(=O)oc2c1 ZINC000441814656 387778268 /nfs/dbraw/zinc/77/82/68/387778268.db2.gz ABYOSVCNMZMGKT-UHFFFAOYSA-N 1 2 246.222 1.699 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2ccncc2)n1 ZINC000424146607 387779091 /nfs/dbraw/zinc/77/90/91/387779091.db2.gz WWAKVGGDINJGDR-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO CC(C)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000378366552 387781780 /nfs/dbraw/zinc/78/17/80/387781780.db2.gz BCHNPEPXMIMENQ-SNVBAGLBSA-N 1 2 221.304 1.740 20 0 BDADLO CC(C)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000378366549 387782243 /nfs/dbraw/zinc/78/22/43/387782243.db2.gz BCHNPEPXMIMENQ-JTQLQIEISA-N 1 2 221.304 1.740 20 0 BDADLO CCOCCN(C)c1[nH+]cccc1OC ZINC000527949617 387783842 /nfs/dbraw/zinc/78/38/42/387783842.db2.gz WKTAQCYJEWZOOX-UHFFFAOYSA-N 1 2 210.277 1.563 20 0 BDADLO COc1ccc[nH+]c1N(C)CCOCC1CC1 ZINC000527918739 387788495 /nfs/dbraw/zinc/78/84/95/387788495.db2.gz HILNNAFAMQDWHS-UHFFFAOYSA-N 1 2 236.315 1.953 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOC2CCC2)n1 ZINC000309457599 387791634 /nfs/dbraw/zinc/79/16/34/387791634.db2.gz NYVOMBURBWHNBO-QMMMGPOBSA-N 1 2 225.292 1.598 20 0 BDADLO CCn1ncc(CN[C@H](C)c2[nH+]ccn2CC)n1 ZINC000527924579 387791950 /nfs/dbraw/zinc/79/19/50/387791950.db2.gz RAGKDQCANIFUDY-SNVBAGLBSA-N 1 2 248.334 1.365 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000193571880 387796996 /nfs/dbraw/zinc/79/69/96/387796996.db2.gz LZNNJQLUUBGMMO-UHFFFAOYSA-N 1 2 247.302 1.229 20 0 BDADLO COC[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000567288674 387806985 /nfs/dbraw/zinc/80/69/85/387806985.db2.gz WCEAGFHERMLBQE-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO COC[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000567288674 387806991 /nfs/dbraw/zinc/80/69/91/387806991.db2.gz WCEAGFHERMLBQE-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO [NH3+][C@H](C(=O)NCC1CC1)c1c(F)cccc1F ZINC000422959969 387811619 /nfs/dbraw/zinc/81/16/19/387811619.db2.gz UWJLOKQWLQBPDX-NSHDSACASA-N 1 2 240.253 1.491 20 0 BDADLO CC(C)[C@H](NC(=O)COC(F)F)c1[nH]cc[nH+]1 ZINC000356986049 387760787 /nfs/dbraw/zinc/76/07/87/387760787.db2.gz SYINDEQRSBEQAD-QMMMGPOBSA-N 1 2 247.245 1.462 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CCN(C)C(=O)C1 ZINC000528037733 387821057 /nfs/dbraw/zinc/82/10/57/387821057.db2.gz FYDKOEHVZBQPRZ-JTQLQIEISA-N 1 2 249.314 1.371 20 0 BDADLO c1nn2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000360072388 387825599 /nfs/dbraw/zinc/82/55/99/387825599.db2.gz BUDQMSJGQGQBCP-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO c1nn2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000360072388 387825604 /nfs/dbraw/zinc/82/56/04/387825604.db2.gz BUDQMSJGQGQBCP-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000564100516 387827141 /nfs/dbraw/zinc/82/71/41/387827141.db2.gz UQVWTYXTTZQVPX-GHMZBOCLSA-N 1 2 248.330 1.549 20 0 BDADLO CCC1(CNc2[nH+]cccc2OC)COC1 ZINC000528030945 387833583 /nfs/dbraw/zinc/83/35/83/387833583.db2.gz QHEFAOCVWPNXHT-UHFFFAOYSA-N 1 2 222.288 1.929 20 0 BDADLO COCC1(C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000432929983 387841268 /nfs/dbraw/zinc/84/12/68/387841268.db2.gz CTMFEURDBPOVOJ-UHFFFAOYSA-N 1 2 233.315 1.827 20 0 BDADLO COCC1(C)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000432933477 387842838 /nfs/dbraw/zinc/84/28/38/387842838.db2.gz NRIOYXDJYJYHPY-UHFFFAOYSA-N 1 2 246.314 1.739 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@H]1C ZINC000452571834 387861343 /nfs/dbraw/zinc/86/13/43/387861343.db2.gz QBDSULCVWBWKHS-GHMZBOCLSA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1[C@H](C)C1(F)F ZINC000452573852 387861966 /nfs/dbraw/zinc/86/19/66/387861966.db2.gz YKDNCPYRUWKCKJ-IONNQARKSA-N 1 2 243.257 1.420 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423058687 387864167 /nfs/dbraw/zinc/86/41/67/387864167.db2.gz KCOSGSTVHLPFBU-XKSSXDPKSA-N 1 2 241.360 1.694 20 0 BDADLO CSC[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000151619614 387866368 /nfs/dbraw/zinc/86/63/68/387866368.db2.gz KUFJQNJDHNHXSO-ZETCQYMHSA-N 1 2 225.317 1.601 20 0 BDADLO C[NH+](C)CCCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000019845186 387867675 /nfs/dbraw/zinc/86/76/75/387867675.db2.gz ZYVDGNWTVSTBQQ-UHFFFAOYSA-N 1 2 223.276 1.143 20 0 BDADLO CCN1CCCN(c2[nH+]cccc2OC)CC1=O ZINC000527975800 387815238 /nfs/dbraw/zinc/81/52/38/387815238.db2.gz GSBFAJWPTQZSPB-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1ccc(CO)cn1 ZINC000424181465 387893471 /nfs/dbraw/zinc/89/34/71/387893471.db2.gz RIRCNFYXADNMAV-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO C[C@H]1CC[C@H](c2noc(Cc3c[nH+]cn3C)n2)O1 ZINC000528246415 387877432 /nfs/dbraw/zinc/87/74/32/387877432.db2.gz WOECZNNSOUGJOD-WCBMZHEXSA-N 1 2 248.286 1.634 20 0 BDADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)CC[C@H]1O ZINC000445609614 387953119 /nfs/dbraw/zinc/95/31/19/387953119.db2.gz IREMSAGWACVLQH-LLVKDONJSA-N 1 2 247.342 1.951 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000245513373 387954192 /nfs/dbraw/zinc/95/41/92/387954192.db2.gz CKBSRJPNAGBOTP-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000245513373 387954196 /nfs/dbraw/zinc/95/41/96/387954196.db2.gz CKBSRJPNAGBOTP-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO CCn1nncc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000459439310 387940993 /nfs/dbraw/zinc/94/09/93/387940993.db2.gz FGGISVUNXUOLOQ-DCAQKATOSA-N 1 2 238.335 1.296 20 0 BDADLO CCn1nncc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000459439310 387940995 /nfs/dbraw/zinc/94/09/95/387940995.db2.gz FGGISVUNXUOLOQ-DCAQKATOSA-N 1 2 238.335 1.296 20 0 BDADLO CN(CC1(CO)CC1)c1cc[nH+]c2ccncc21 ZINC000445614576 387951758 /nfs/dbraw/zinc/95/17/58/387951758.db2.gz AWEYAXBDCKXACX-UHFFFAOYSA-N 1 2 243.310 1.839 20 0 BDADLO Cn1cccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245550692 387959451 /nfs/dbraw/zinc/95/94/51/387959451.db2.gz ALMAVYOWEQDKIW-QWHCGFSZSA-N 1 2 247.342 1.268 20 0 BDADLO Cn1cccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245550692 387959454 /nfs/dbraw/zinc/95/94/54/387959454.db2.gz ALMAVYOWEQDKIW-QWHCGFSZSA-N 1 2 247.342 1.268 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CC)c2)C[C@@H](C)O1 ZINC000245568717 387961347 /nfs/dbraw/zinc/96/13/47/387961347.db2.gz VMUWBZJLRAUBCI-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)C[C@@H](C)O1 ZINC000245568717 387961350 /nfs/dbraw/zinc/96/13/50/387961350.db2.gz VMUWBZJLRAUBCI-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423183784 387969968 /nfs/dbraw/zinc/96/99/68/387969968.db2.gz HQMUIUVBZPBVER-APPZFPTMSA-N 1 2 239.344 1.305 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2c1cccc2F ZINC000514699714 387980308 /nfs/dbraw/zinc/98/03/08/387980308.db2.gz PBKNLHGTJSLJHH-UHFFFAOYSA-N 1 2 245.257 1.612 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@H]1CCOC1 ZINC000106937077 387987469 /nfs/dbraw/zinc/98/74/69/387987469.db2.gz LEHXCCRVWDONBY-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1CCOC1 ZINC000106937077 387987475 /nfs/dbraw/zinc/98/74/75/387987475.db2.gz LEHXCCRVWDONBY-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1C ZINC000423203489 387990216 /nfs/dbraw/zinc/99/02/16/387990216.db2.gz MXPBBIYZEUKLJT-MRTMQBJTSA-N 1 2 239.344 1.257 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)nn1C ZINC000446070969 387992930 /nfs/dbraw/zinc/99/29/30/387992930.db2.gz IJUFEHQUKXLQDM-TUAOUCFPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)nn1C ZINC000446070969 387992933 /nfs/dbraw/zinc/99/29/33/387992933.db2.gz IJUFEHQUKXLQDM-TUAOUCFPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1nc(NCc2noc3ccccc23)cc[nH+]1 ZINC000439115195 387981960 /nfs/dbraw/zinc/98/19/60/387981960.db2.gz DFKQGWFORPXLMF-UHFFFAOYSA-N 1 2 240.266 1.960 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncccn2)CCCO1 ZINC000439478601 388002666 /nfs/dbraw/zinc/00/26/66/388002666.db2.gz OUUVLNVXZGCSGA-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncccn2)CCCO1 ZINC000439478601 388002669 /nfs/dbraw/zinc/00/26/69/388002669.db2.gz OUUVLNVXZGCSGA-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(-n2cccc2)cn1 ZINC000439562214 388008672 /nfs/dbraw/zinc/00/86/72/388008672.db2.gz QOKBMQSVRHBYKA-UHFFFAOYSA-N 1 2 227.271 1.456 20 0 BDADLO Cn1c[nH+]cc1Cn1nccc1-c1ccncc1 ZINC000439547389 388008714 /nfs/dbraw/zinc/00/87/14/388008714.db2.gz JLIAKWVRBQAGIP-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO CC(=O)Nc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000439550047 388008945 /nfs/dbraw/zinc/00/89/45/388008945.db2.gz LIGZEVXBJCWRRZ-UHFFFAOYSA-N 1 2 245.282 1.958 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[NH+]1[C@H](C)C[C@H]1C ZINC000548754882 388010008 /nfs/dbraw/zinc/01/00/08/388010008.db2.gz UZXGPDHLLJCWQN-HLTSFMKQSA-N 1 2 221.308 1.552 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446083946 387996556 /nfs/dbraw/zinc/99/65/56/387996556.db2.gz SJBLZPYAGYGXFN-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446083946 387996558 /nfs/dbraw/zinc/99/65/58/387996558.db2.gz SJBLZPYAGYGXFN-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO c1cc(C[NH+]2CCOCC2)c2c(c1)OCCO2 ZINC000064431033 388012384 /nfs/dbraw/zinc/01/23/84/388012384.db2.gz NBLNRBVFOBVGKZ-UHFFFAOYSA-N 1 2 235.283 1.290 20 0 BDADLO CC(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000082254491 388017376 /nfs/dbraw/zinc/01/73/76/388017376.db2.gz DIJUZZJPPYLJGR-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000261334462 135149962 /nfs/dbraw/zinc/14/99/62/135149962.db2.gz YXGKNAIABGBKGQ-WPRPVWTQSA-N 1 2 203.257 1.372 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000261334462 135149964 /nfs/dbraw/zinc/14/99/64/135149964.db2.gz YXGKNAIABGBKGQ-WPRPVWTQSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000440500252 388044823 /nfs/dbraw/zinc/04/48/23/388044823.db2.gz YYFFWPIFTWWYBN-OUAUKWLOSA-N 1 2 219.300 1.470 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000440500252 388044825 /nfs/dbraw/zinc/04/48/25/388044825.db2.gz YYFFWPIFTWWYBN-OUAUKWLOSA-N 1 2 219.300 1.470 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000446755604 388037804 /nfs/dbraw/zinc/03/78/04/388037804.db2.gz XCKPKWPLTJKBNR-WDEREUQCSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnn(C)n2)CC(C)(C)C1 ZINC000440522242 388050994 /nfs/dbraw/zinc/05/09/94/388050994.db2.gz DJBXECAUKUZJHV-SECBINFHSA-N 1 2 223.324 1.078 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnn(C)n2)CC(C)(C)C1 ZINC000440522242 388050998 /nfs/dbraw/zinc/05/09/98/388050998.db2.gz DJBXECAUKUZJHV-SECBINFHSA-N 1 2 223.324 1.078 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000440519414 388051050 /nfs/dbraw/zinc/05/10/50/388051050.db2.gz MFVVKYKIQXOKOH-QWHCGFSZSA-N 1 2 245.338 1.862 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000440519414 388051053 /nfs/dbraw/zinc/05/10/53/388051053.db2.gz MFVVKYKIQXOKOH-QWHCGFSZSA-N 1 2 245.338 1.862 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000440690514 388066630 /nfs/dbraw/zinc/06/66/30/388066630.db2.gz CLWGKOSPNLUOAP-JTQLQIEISA-N 1 2 238.310 1.719 20 0 BDADLO CC[C@H](F)C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000440690514 388066633 /nfs/dbraw/zinc/06/66/33/388066633.db2.gz CLWGKOSPNLUOAP-JTQLQIEISA-N 1 2 238.310 1.719 20 0 BDADLO C[N@@H+](Cc1nnn(CC(F)(F)F)n1)CC1CC1 ZINC000440696509 388068710 /nfs/dbraw/zinc/06/87/10/388068710.db2.gz SSMSSAXJYGBGFS-UHFFFAOYSA-N 1 2 249.240 1.077 20 0 BDADLO C[N@H+](Cc1nnn(CC(F)(F)F)n1)CC1CC1 ZINC000440696509 388068715 /nfs/dbraw/zinc/06/87/15/388068715.db2.gz SSMSSAXJYGBGFS-UHFFFAOYSA-N 1 2 249.240 1.077 20 0 BDADLO CCc1ccsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081683 388070176 /nfs/dbraw/zinc/07/01/76/388070176.db2.gz RWJGJAXYHTWZQN-UHFFFAOYSA-N 1 2 235.312 1.964 20 0 BDADLO CCc1ccsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081683 388070179 /nfs/dbraw/zinc/07/01/79/388070179.db2.gz RWJGJAXYHTWZQN-UHFFFAOYSA-N 1 2 235.312 1.964 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCSC)C(=O)OC ZINC000336657778 388073248 /nfs/dbraw/zinc/07/32/48/388073248.db2.gz PVFWVNUXCKCEMT-BDAKNGLRSA-N 1 2 219.350 1.527 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447828860 388095439 /nfs/dbraw/zinc/09/54/39/388095439.db2.gz FEWHSCDCKRYGPU-VHSXEESVSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447828860 388095440 /nfs/dbraw/zinc/09/54/40/388095440.db2.gz FEWHSCDCKRYGPU-VHSXEESVSA-N 1 2 229.320 1.295 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](OC)C2)o1 ZINC000170819328 388106679 /nfs/dbraw/zinc/10/66/79/388106679.db2.gz HBDNBOYVDQXDCT-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](OC)C2)o1 ZINC000170819328 388106682 /nfs/dbraw/zinc/10/66/82/388106682.db2.gz HBDNBOYVDQXDCT-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCCN1CCC[N@H+](C[C@@H](F)CC)CC1=O ZINC000440514769 388048925 /nfs/dbraw/zinc/04/89/25/388048925.db2.gz CCFIHIHRORSWGR-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO CCCN1CCC[N@@H+](C[C@@H](F)CC)CC1=O ZINC000440514769 388048929 /nfs/dbraw/zinc/04/89/29/388048929.db2.gz CCFIHIHRORSWGR-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO C[C@@H]1CC[C@]2(CC[N@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516836 388049284 /nfs/dbraw/zinc/04/92/84/388049284.db2.gz PJWYYBSRQOCJDF-PWSUYJOCSA-N 1 2 235.335 1.222 20 0 BDADLO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516836 388049287 /nfs/dbraw/zinc/04/92/87/388049287.db2.gz PJWYYBSRQOCJDF-PWSUYJOCSA-N 1 2 235.335 1.222 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1c1cc(C)[nH+]cn1 ZINC000447063059 388049877 /nfs/dbraw/zinc/04/98/77/388049877.db2.gz HWKLBLHQTCRZSN-MNOVXSKESA-N 1 2 221.304 1.789 20 0 BDADLO COc1cc[nH+]cc1NCc1nccnc1OC ZINC000449201163 388156598 /nfs/dbraw/zinc/15/65/98/388156598.db2.gz CSLWQTZKRFKKIO-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cs1 ZINC000449258293 388163128 /nfs/dbraw/zinc/16/31/28/388163128.db2.gz MMLAIVYPFOVOLX-SNVBAGLBSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cs1 ZINC000449258293 388163129 /nfs/dbraw/zinc/16/31/29/388163129.db2.gz MMLAIVYPFOVOLX-SNVBAGLBSA-N 1 2 238.356 1.719 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)OC ZINC000449255193 388163497 /nfs/dbraw/zinc/16/34/97/388163497.db2.gz BJJKOYYHSJQSGX-XWLWVQCSSA-N 1 2 229.320 1.484 20 0 BDADLO CC[C@H](C)OCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260764 388171370 /nfs/dbraw/zinc/17/13/70/388171370.db2.gz GBZVCMZZPHVZBP-VIFPVBQESA-N 1 2 237.303 1.110 20 0 BDADLO CC[C@H](C)OCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260764 388171372 /nfs/dbraw/zinc/17/13/72/388171372.db2.gz GBZVCMZZPHVZBP-VIFPVBQESA-N 1 2 237.303 1.110 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646258150 388171939 /nfs/dbraw/zinc/17/19/39/388171939.db2.gz HJGHVTSDPPRKMT-KBVBSXBZSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646258150 388171941 /nfs/dbraw/zinc/17/19/41/388171941.db2.gz HJGHVTSDPPRKMT-KBVBSXBZSA-N 1 2 249.314 1.108 20 0 BDADLO O=C(CCC1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259262 388172140 /nfs/dbraw/zinc/17/21/40/388172140.db2.gz RRTMFYSDLQUQML-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO O=C(CCC1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259262 388172141 /nfs/dbraw/zinc/17/21/41/388172141.db2.gz RRTMFYSDLQUQML-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646260759 388172278 /nfs/dbraw/zinc/17/22/78/388172278.db2.gz FWLJDGKYSLLALT-JOYOIKCWSA-N 1 2 249.314 1.252 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646260759 388172279 /nfs/dbraw/zinc/17/22/79/388172279.db2.gz FWLJDGKYSLLALT-JOYOIKCWSA-N 1 2 249.314 1.252 20 0 BDADLO CC[N@H+](Cc1nccnc1OC)[C@@H]1CCOC1 ZINC000449339230 388176174 /nfs/dbraw/zinc/17/61/74/388176174.db2.gz XPNXAIAYRLZDDJ-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO CC[N@@H+](Cc1nccnc1OC)[C@@H]1CCOC1 ZINC000449339230 388176177 /nfs/dbraw/zinc/17/61/77/388176177.db2.gz XPNXAIAYRLZDDJ-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@H](NCc1[nH+]cc(C)n1C)C(F)F ZINC000449357159 388180804 /nfs/dbraw/zinc/18/08/04/388180804.db2.gz BUZMTAHFRCVSQN-QMMMGPOBSA-N 1 2 217.263 1.862 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@@H]1OC ZINC000488523222 388183904 /nfs/dbraw/zinc/18/39/04/388183904.db2.gz BGDLDUVZEUEQSU-AOOOYVTPSA-N 1 2 245.706 1.779 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1OC ZINC000488523222 388183906 /nfs/dbraw/zinc/18/39/06/388183906.db2.gz BGDLDUVZEUEQSU-AOOOYVTPSA-N 1 2 245.706 1.779 20 0 BDADLO CC[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H](C)O ZINC000456206093 388184609 /nfs/dbraw/zinc/18/46/09/388184609.db2.gz GHKAYTZEIKSFSD-KOLCDFICSA-N 1 2 247.298 1.224 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCCC(=O)C1CC1 ZINC000448932487 388121364 /nfs/dbraw/zinc/12/13/64/388121364.db2.gz JHZSGMDQQZEXIJ-UHFFFAOYSA-N 1 2 246.310 1.900 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000448956412 388122676 /nfs/dbraw/zinc/12/26/76/388122676.db2.gz ZWGAKJSQDWMZRN-MFKMUULPSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000646059154 388134267 /nfs/dbraw/zinc/13/42/67/388134267.db2.gz KBKCANCSHFYQQT-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000646059154 388134268 /nfs/dbraw/zinc/13/42/68/388134268.db2.gz KBKCANCSHFYQQT-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CC/C=C\CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000454840670 388136123 /nfs/dbraw/zinc/13/61/23/388136123.db2.gz RRSOBMCXEJXLAG-DLRQAJBASA-N 1 2 248.330 1.463 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@H](C)CF)c[nH+]1 ZINC000454955352 388141812 /nfs/dbraw/zinc/14/18/12/388141812.db2.gz JUGQKVSSRSSTPS-SNVBAGLBSA-N 1 2 239.294 1.856 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000455039074 388146010 /nfs/dbraw/zinc/14/60/10/388146010.db2.gz UYPVDTBSDLFCNM-MNOVXSKESA-N 1 2 233.315 1.980 20 0 BDADLO O=C1CCCN1[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641530713 388151497 /nfs/dbraw/zinc/15/14/97/388151497.db2.gz RUFBZHQWXVAHKQ-SNVBAGLBSA-N 1 2 249.289 1.422 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC2(CCCC2)O1 ZINC000646134438 388152364 /nfs/dbraw/zinc/15/23/64/388152364.db2.gz BULDVEDBJKYUQN-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC2(CCCC2)O1 ZINC000646134438 388152366 /nfs/dbraw/zinc/15/23/66/388152366.db2.gz BULDVEDBJKYUQN-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[S@@](=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000449388996 388192465 /nfs/dbraw/zinc/19/24/65/388192465.db2.gz RECXUSRXCOLBIK-BDJLRTHQSA-N 1 2 241.331 1.968 20 0 BDADLO C[S@@](=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000449388996 388192468 /nfs/dbraw/zinc/19/24/68/388192468.db2.gz RECXUSRXCOLBIK-BDJLRTHQSA-N 1 2 241.331 1.968 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000449398853 388194087 /nfs/dbraw/zinc/19/40/87/388194087.db2.gz ZEOWDSTXWVPEPK-VIFPVBQESA-N 1 2 213.252 1.970 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000449398853 388194089 /nfs/dbraw/zinc/19/40/89/388194089.db2.gz ZEOWDSTXWVPEPK-VIFPVBQESA-N 1 2 213.252 1.970 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccccn1 ZINC000456343091 388195506 /nfs/dbraw/zinc/19/55/06/388195506.db2.gz GJUHYPGTZVLQOD-JTQLQIEISA-N 1 2 244.298 1.789 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C)no1 ZINC000456391219 388198359 /nfs/dbraw/zinc/19/83/59/388198359.db2.gz PMZPJBMYYOUJDD-SECBINFHSA-N 1 2 248.286 1.690 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@@H](C)C(C)(F)F)c[nH]1 ZINC000449417037 388200212 /nfs/dbraw/zinc/20/02/12/388200212.db2.gz WMQFACMPWBPHPK-ZETCQYMHSA-N 1 2 246.257 1.935 20 0 BDADLO Cc1csc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000313283339 256545995 /nfs/dbraw/zinc/54/59/95/256545995.db2.gz OTGLHHIDOGKXIB-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CO[C@@H]([C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000456617713 388210746 /nfs/dbraw/zinc/21/07/46/388210746.db2.gz YEQVGRPKNZEHEC-HQJQHLMTSA-N 1 2 237.303 1.261 20 0 BDADLO CC(C)n1nnnc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489445872 388214918 /nfs/dbraw/zinc/21/49/18/388214918.db2.gz ZWQSGHMVDMOZDJ-SECBINFHSA-N 1 2 223.324 1.484 20 0 BDADLO CC(C)n1nnnc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489445872 388214919 /nfs/dbraw/zinc/21/49/19/388214919.db2.gz ZWQSGHMVDMOZDJ-SECBINFHSA-N 1 2 223.324 1.484 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489455738 388215987 /nfs/dbraw/zinc/21/59/87/388215987.db2.gz NIBPSGRMDIYGEP-SECBINFHSA-N 1 2 208.309 1.528 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489455738 388215990 /nfs/dbraw/zinc/21/59/90/388215990.db2.gz NIBPSGRMDIYGEP-SECBINFHSA-N 1 2 208.309 1.528 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2csnn2)CC1(C)C ZINC000449498017 388218670 /nfs/dbraw/zinc/21/86/70/388218670.db2.gz JONSHICRYAZEJU-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2csnn2)CC1(C)C ZINC000449498017 388218671 /nfs/dbraw/zinc/21/86/71/388218671.db2.gz JONSHICRYAZEJU-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO Cc1nc(N2CC3(C2)CCCC3)nc(N(C)C)[nH+]1 ZINC000489893614 388228262 /nfs/dbraw/zinc/22/82/62/388228262.db2.gz CDADJNZNACWGFU-UHFFFAOYSA-N 1 2 247.346 1.626 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC3(C2)CCCC3)[nH+]1 ZINC000489893614 388228264 /nfs/dbraw/zinc/22/82/64/388228264.db2.gz CDADJNZNACWGFU-UHFFFAOYSA-N 1 2 247.346 1.626 20 0 BDADLO Cc1nc(N2C[C@@H](C)CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000489959079 388228729 /nfs/dbraw/zinc/22/87/29/388228729.db2.gz XQSOEQZYFHLWSG-VHSXEESVSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)CC[C@H]2C)[nH+]1 ZINC000489959079 388228731 /nfs/dbraw/zinc/22/87/31/388228731.db2.gz XQSOEQZYFHLWSG-VHSXEESVSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1cc(C)c(CNC(=O)C[C@H]2CCCO2)c[nH+]1 ZINC000456867507 388229285 /nfs/dbraw/zinc/22/92/85/388229285.db2.gz WIDGAMNFKJJMPA-CYBMUJFWSA-N 1 2 248.326 1.884 20 0 BDADLO Cc1nc(N2CCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000489963329 388229662 /nfs/dbraw/zinc/22/96/62/388229662.db2.gz JHDAVYCBZHPXRE-MRVPVSSYSA-N 1 2 221.308 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H]2C)[nH+]1 ZINC000489963329 388229665 /nfs/dbraw/zinc/22/96/65/388229665.db2.gz JHDAVYCBZHPXRE-MRVPVSSYSA-N 1 2 221.308 1.235 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)CC[C@H]1O ZINC000489991927 388230400 /nfs/dbraw/zinc/23/04/00/388230400.db2.gz IOSWEJBNZYNPJD-QMTHXVAHSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CCCC1 ZINC000456901464 388232607 /nfs/dbraw/zinc/23/26/07/388232607.db2.gz YRALNWODHDLWRV-VIFPVBQESA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C1CCCC1 ZINC000456901464 388232610 /nfs/dbraw/zinc/23/26/10/388232610.db2.gz YRALNWODHDLWRV-VIFPVBQESA-N 1 2 235.331 1.956 20 0 BDADLO CC[C@]1(O)CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000490077773 388233809 /nfs/dbraw/zinc/23/38/09/388233809.db2.gz SKZIFEPRAYQVQR-ZDUSSCGKSA-N 1 2 246.314 1.618 20 0 BDADLO Cc1nc(N(C)[C@@H](C)C2(C)CC2)nc(N(C)C)[nH+]1 ZINC000490127442 388235334 /nfs/dbraw/zinc/23/53/34/388235334.db2.gz VPYHDNTVYVLVDS-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@@H](C)C2(C)CC2)[nH+]1 ZINC000490127442 388235336 /nfs/dbraw/zinc/23/53/36/388235336.db2.gz VPYHDNTVYVLVDS-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO C[N@H+](Cc1csnn1)[C@H](CO)CC(C)(C)C ZINC000449581523 388237436 /nfs/dbraw/zinc/23/74/36/388237436.db2.gz AQVGYDYJVQVGDJ-JTQLQIEISA-N 1 2 243.376 1.767 20 0 BDADLO C[N@@H+](Cc1csnn1)[C@H](CO)CC(C)(C)C ZINC000449581523 388237439 /nfs/dbraw/zinc/23/74/39/388237439.db2.gz AQVGYDYJVQVGDJ-JTQLQIEISA-N 1 2 243.376 1.767 20 0 BDADLO CCc1ncncc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000518416564 256571865 /nfs/dbraw/zinc/57/18/65/256571865.db2.gz QXADGCNQSRUMLT-UHFFFAOYSA-N 1 2 245.286 1.034 20 0 BDADLO CCn1cc[nH+]c1CN(CC(F)F)C[C@@H](C)O ZINC000449633232 388244133 /nfs/dbraw/zinc/24/41/33/388244133.db2.gz TXTDCGLZIROZQU-SECBINFHSA-N 1 2 247.289 1.351 20 0 BDADLO COc1ccsc1C[NH+]1CC(OC)C1 ZINC000459576788 388246440 /nfs/dbraw/zinc/24/64/40/388246440.db2.gz HCSXYTWDYGTIIP-UHFFFAOYSA-N 1 2 213.302 1.587 20 0 BDADLO COCC(C)(C)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000449634758 388247315 /nfs/dbraw/zinc/24/73/15/388247315.db2.gz WNAJYYPIGOLXPJ-SECBINFHSA-N 1 2 239.306 1.607 20 0 BDADLO COCC(C)(C)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000449634758 388247316 /nfs/dbraw/zinc/24/73/16/388247316.db2.gz WNAJYYPIGOLXPJ-SECBINFHSA-N 1 2 239.306 1.607 20 0 BDADLO C[C@H]1C[N@H+](CCCCC(F)(F)F)CC(=O)N1 ZINC000451637495 388286293 /nfs/dbraw/zinc/28/62/93/388286293.db2.gz BLJCUOUKGLFKMO-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC(=O)N1 ZINC000451637495 388286294 /nfs/dbraw/zinc/28/62/94/388286294.db2.gz BLJCUOUKGLFKMO-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCCCO1 ZINC000492027611 388332043 /nfs/dbraw/zinc/33/20/43/388332043.db2.gz CARHUSLVBBIVRZ-SREVYHEPSA-N 1 2 249.314 1.860 20 0 BDADLO COCCCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451848243 388300594 /nfs/dbraw/zinc/30/05/94/388300594.db2.gz IHUSVANXCHQXKQ-JTQLQIEISA-N 1 2 239.306 1.751 20 0 BDADLO COCCCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451848243 388300595 /nfs/dbraw/zinc/30/05/95/388300595.db2.gz IHUSVANXCHQXKQ-JTQLQIEISA-N 1 2 239.306 1.751 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccncc1 ZINC000492045073 388332566 /nfs/dbraw/zinc/33/25/66/388332566.db2.gz TWCCVDMYTVVGJU-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(/C=C/c1ccsc1)NCc1[nH]cc[nH+]1 ZINC000491841678 388324688 /nfs/dbraw/zinc/32/46/88/388324688.db2.gz FGKPXEIKWWHGCO-OWOJBTEDSA-N 1 2 233.296 1.801 20 0 BDADLO Cc1cc(NC(=O)C=CC2CC2)cc[nH+]1 ZINC000491912751 388327742 /nfs/dbraw/zinc/32/77/42/388327742.db2.gz VWEPXISXPFZQPD-PLNGDYQASA-N 1 2 202.257 1.717 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCCO1 ZINC000491985837 388330842 /nfs/dbraw/zinc/33/08/42/388330842.db2.gz YCSUUVBMVMQYDB-AATRIKPKSA-N 1 2 235.287 1.470 20 0 BDADLO CC[C@H](NC(=O)/C=C\C1CC1)c1[nH]cc[nH+]1 ZINC000492007866 388331106 /nfs/dbraw/zinc/33/11/06/388331106.db2.gz YBDPUPJOKBOVIK-OMMCCPJFSA-N 1 2 219.288 1.943 20 0 BDADLO CC[C@H](NC(=O)C=CC1CC1)c1[nH]cc[nH+]1 ZINC000492007866 388331107 /nfs/dbraw/zinc/33/11/07/388331107.db2.gz YBDPUPJOKBOVIK-OMMCCPJFSA-N 1 2 219.288 1.943 20 0 BDADLO Cc1cnc(NCCn2cc[nH+]c2)s1 ZINC000302851913 388345874 /nfs/dbraw/zinc/34/58/74/388345874.db2.gz QAVOXHAAPLCRLJ-UHFFFAOYSA-N 1 2 208.290 1.760 20 0 BDADLO FC(F)(F)CNCc1cccc2[nH+]ccn21 ZINC000276448480 388350013 /nfs/dbraw/zinc/35/00/13/388350013.db2.gz JNGPSAQBHYHDRM-UHFFFAOYSA-N 1 2 229.205 1.986 20 0 BDADLO C[C@@H]([NH2+]Cc1ccsc1)c1ncnn1C ZINC000276777664 388350911 /nfs/dbraw/zinc/35/09/11/388350911.db2.gz WPOJZZSFCJCVBB-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@H](NCc1[nH+]ccn1C)C(F)(F)F ZINC000277186512 388352535 /nfs/dbraw/zinc/35/25/35/388352535.db2.gz UISBTMLBOYBBTD-LURJTMIESA-N 1 2 207.199 1.461 20 0 BDADLO Cc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000524418658 388358988 /nfs/dbraw/zinc/35/89/88/388358988.db2.gz PONMUJIEAZGKHQ-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H](C)O1 ZINC000227840428 388371579 /nfs/dbraw/zinc/37/15/79/388371579.db2.gz LZHMQFIRTKODCP-BQBZGAKWSA-N 1 2 242.710 1.326 20 0 BDADLO CC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000227841035 388371953 /nfs/dbraw/zinc/37/19/53/388371953.db2.gz HAHNNBDKMQVEEY-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO CC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000227841035 388371957 /nfs/dbraw/zinc/37/19/57/388371957.db2.gz HAHNNBDKMQVEEY-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO C[C@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000227840636 388372111 /nfs/dbraw/zinc/37/21/11/388372111.db2.gz DCAWSHVUDKBZDT-ZETCQYMHSA-N 1 2 226.711 1.949 20 0 BDADLO C[C@H]1CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000227840636 388372114 /nfs/dbraw/zinc/37/21/14/388372114.db2.gz DCAWSHVUDKBZDT-ZETCQYMHSA-N 1 2 226.711 1.949 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(F)F ZINC000642659912 388374172 /nfs/dbraw/zinc/37/41/72/388374172.db2.gz GNEZJCINWKZVLU-VIFPVBQESA-N 1 2 245.273 1.823 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169864 135168221 /nfs/dbraw/zinc/16/82/21/135168221.db2.gz JQOHKVRTXYUXJH-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353169864 135168224 /nfs/dbraw/zinc/16/82/24/135168224.db2.gz JQOHKVRTXYUXJH-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CCO[C@H]1C[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000572816334 388379087 /nfs/dbraw/zinc/37/90/87/388379087.db2.gz YLLZXIVDBJPDJB-QWRGUYRKSA-N 1 2 245.282 1.242 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000572821396 388379241 /nfs/dbraw/zinc/37/92/41/388379241.db2.gz HUXBBABEJZRCMP-NXEZZACHSA-N 1 2 239.319 1.792 20 0 BDADLO Cc1sccc1C[NH2+]Cc1ncn(C)n1 ZINC000293337143 388384738 /nfs/dbraw/zinc/38/47/38/388384738.db2.gz SCFRPOOGNNTIQB-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO C[C@@H](CNC(=O)/C=C/C1CCC1)Cn1cc[nH+]c1 ZINC000492092786 388334737 /nfs/dbraw/zinc/33/47/37/388334737.db2.gz UYRXOMMKDKZYNT-FYJFLYSWSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C\C1CC1 ZINC000492114293 388335298 /nfs/dbraw/zinc/33/52/98/388335298.db2.gz ZQHBEETXFYFNMW-PLNGDYQASA-N 1 2 205.261 1.301 20 0 BDADLO C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC(C)(C)C ZINC000336900024 388441797 /nfs/dbraw/zinc/44/17/97/388441797.db2.gz RQLLQMYCYKQHGL-UWVGGRQHSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2CC2)c[nH+]1 ZINC000335056604 388448231 /nfs/dbraw/zinc/44/82/31/388448231.db2.gz HYVDUYSMKBSUHA-UHFFFAOYSA-N 1 2 204.273 1.725 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649215309 388459951 /nfs/dbraw/zinc/45/99/51/388459951.db2.gz AVIYHJYOCSVBRX-LLVKDONJSA-N 1 2 247.342 1.560 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000336724958 388469959 /nfs/dbraw/zinc/46/99/59/388469959.db2.gz BMGGWKOXFOFXSE-AXTSPUMRSA-N 1 2 229.320 1.197 20 0 BDADLO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)OC ZINC000336728848 388469979 /nfs/dbraw/zinc/46/99/79/388469979.db2.gz INYASBOZDIIWSM-NKWVEPMBSA-N 1 2 227.226 1.869 20 0 BDADLO C[C@@H]1[C@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H]1C1CC1 ZINC000528519837 388541685 /nfs/dbraw/zinc/54/16/85/388541685.db2.gz WLWCIKXEODNGKC-AXTRIDKLSA-N 1 2 233.315 1.361 20 0 BDADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1cccc(C)c1 ZINC000353594181 388542074 /nfs/dbraw/zinc/54/20/74/388542074.db2.gz MHHAHWCCFJJCKC-LBPRGKRZSA-N 1 2 245.330 1.759 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](COC)C1CC1)C(=O)OCC ZINC000136627133 388543048 /nfs/dbraw/zinc/54/30/48/388543048.db2.gz JSEMOQHAYPUAHC-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO CCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079722279 388545841 /nfs/dbraw/zinc/54/58/41/388545841.db2.gz KPYDXCLDSZRZAQ-UHFFFAOYSA-N 1 2 221.304 1.911 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCC(=O)C1 ZINC000648912801 388489650 /nfs/dbraw/zinc/48/96/50/388489650.db2.gz RUFVYWLDJDJMCS-SECBINFHSA-N 1 2 248.282 1.076 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C(C)C)no2)C[C@@H]1O ZINC000341004780 388494298 /nfs/dbraw/zinc/49/42/98/388494298.db2.gz CMFAXXORUTZYKH-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C(C)C)no2)C[C@@H]1O ZINC000341004780 388494300 /nfs/dbraw/zinc/49/43/00/388494300.db2.gz CMFAXXORUTZYKH-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CCCC[C@H]([NH2+]CC1=CCOCC1)C(=O)OC ZINC000397777693 388498203 /nfs/dbraw/zinc/49/82/03/388498203.db2.gz NIRHJXHTAJQHTK-LBPRGKRZSA-N 1 2 241.331 1.655 20 0 BDADLO CC(C)[C@H](CO)CNc1[nH+]cnc2c1cnn2C ZINC000342908795 388499125 /nfs/dbraw/zinc/49/91/25/388499125.db2.gz JFSSHKNLXPYPRV-VIFPVBQESA-N 1 2 249.318 1.040 20 0 BDADLO CC[C@@]1(C)C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000135635364 388504095 /nfs/dbraw/zinc/50/40/95/388504095.db2.gz ZGKHBLGQJCTLHZ-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@]1(C)C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000135635364 388504097 /nfs/dbraw/zinc/50/40/97/388504097.db2.gz ZGKHBLGQJCTLHZ-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@H](CNc1cc(CC)[nH+]cn1)OC ZINC000378818520 388516146 /nfs/dbraw/zinc/51/61/46/388516146.db2.gz CZQHMAVDQSCAQX-LLVKDONJSA-N 1 2 223.320 1.688 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1ncnn1C(C)C ZINC000345840693 388516618 /nfs/dbraw/zinc/51/66/18/388516618.db2.gz RHVKKDZJXMTNQF-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1ncnn1C(C)C ZINC000345840693 388516621 /nfs/dbraw/zinc/51/66/21/388516621.db2.gz RHVKKDZJXMTNQF-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@H](CC)CO)n1 ZINC000345835013 388516733 /nfs/dbraw/zinc/51/67/33/388516733.db2.gz NHIUBAXZZRFTAH-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@H](CC)CO)n1 ZINC000345835013 388516737 /nfs/dbraw/zinc/51/67/37/388516737.db2.gz NHIUBAXZZRFTAH-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CS[C@@H](CO)[C@@H](C)Nc1nc(C)[nH+]cc1C ZINC000516820646 388518972 /nfs/dbraw/zinc/51/89/72/388518972.db2.gz QONSCWMZZSEFMU-SCZZXKLOSA-N 1 2 241.360 1.040 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCc2[nH+]ccn2C)[C@H]1C1CC1 ZINC000528412502 388520378 /nfs/dbraw/zinc/52/03/78/388520378.db2.gz WNSNAEUGXOFXDW-XXILOJSOSA-N 1 2 233.315 1.328 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876920 388522745 /nfs/dbraw/zinc/52/27/45/388522745.db2.gz LKAXLVVNFMPOIC-JULQROHOSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876920 388522747 /nfs/dbraw/zinc/52/27/47/388522747.db2.gz LKAXLVVNFMPOIC-JULQROHOSA-N 1 2 247.342 1.893 20 0 BDADLO Cc1cnccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000528430438 388524649 /nfs/dbraw/zinc/52/46/49/388524649.db2.gz FVBKVQZBJQPTAO-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO c1nn2ccccc2c1C[NH2+]Cc1csnn1 ZINC000348557486 388527907 /nfs/dbraw/zinc/52/79/07/388527907.db2.gz QUMGARJGHNWDEE-UHFFFAOYSA-N 1 2 245.311 1.476 20 0 BDADLO CCCc1noc(C[N@H+](C)CCCCO)n1 ZINC000349907969 388529272 /nfs/dbraw/zinc/52/92/72/388529272.db2.gz JEBNBXFVTSPYNM-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCc1noc(C[N@@H+](C)CCCCO)n1 ZINC000349907969 388529276 /nfs/dbraw/zinc/52/92/76/388529276.db2.gz JEBNBXFVTSPYNM-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO C/C(Cl)=C/C[NH2+][C@H](C)c1ncn(C)n1 ZINC000528464746 388529822 /nfs/dbraw/zinc/52/98/22/388529822.db2.gz FMYYGVNJPYTVHW-RBMBQVQZSA-N 1 2 214.700 1.608 20 0 BDADLO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(F)cn1 ZINC000352597284 388536778 /nfs/dbraw/zinc/53/67/78/388536778.db2.gz HYYOKWQJEIPROU-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1[C@H](C)C[C@H]1C ZINC000548424604 388537070 /nfs/dbraw/zinc/53/70/70/388537070.db2.gz AYEPPCOIYMYSFC-BWZBUEFSSA-N 1 2 238.253 1.536 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@H]1CC=CCC1 ZINC000529866519 388593732 /nfs/dbraw/zinc/59/37/32/388593732.db2.gz OLSJNLONDOFNPZ-LBPRGKRZSA-N 1 2 233.315 1.746 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C(C)(C)CO)s1 ZINC000649317303 388606732 /nfs/dbraw/zinc/60/67/32/388606732.db2.gz IATHAKWVCZJKOU-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C(C)(C)CO)s1 ZINC000649317303 388606733 /nfs/dbraw/zinc/60/67/33/388606733.db2.gz IATHAKWVCZJKOU-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO COC1(C)C[NH+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000358651807 388556362 /nfs/dbraw/zinc/55/63/62/388556362.db2.gz NUURITPTJBHMGV-MRVPVSSYSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnnn1C(C)(C)C ZINC000548753145 388556842 /nfs/dbraw/zinc/55/68/42/388556842.db2.gz SGFJQBVGNABMOA-DTORHVGOSA-N 1 2 223.324 1.411 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000548753145 388556843 /nfs/dbraw/zinc/55/68/43/388556843.db2.gz SGFJQBVGNABMOA-DTORHVGOSA-N 1 2 223.324 1.411 20 0 BDADLO CCOC[C@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000528723636 388562061 /nfs/dbraw/zinc/56/20/61/388562061.db2.gz JWEFZALXLRUNCB-UMBAGQNISA-N 1 2 219.712 1.476 20 0 BDADLO CCOC[C@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000528723636 388562062 /nfs/dbraw/zinc/56/20/62/388562062.db2.gz JWEFZALXLRUNCB-UMBAGQNISA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@@H]1CCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548813915 388563405 /nfs/dbraw/zinc/56/34/05/388563405.db2.gz XIKUDIZCJVLTMX-UWVGGRQHSA-N 1 2 249.314 1.077 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000528741440 388564916 /nfs/dbraw/zinc/56/49/16/388564916.db2.gz NKAOLSBGDWKRML-NZXMKCKXSA-N 1 2 233.315 1.626 20 0 BDADLO c1nc(C2CC2)nc2c1C[N@@H+]([C@@H]1CCOC1)CC2 ZINC000528740110 388565105 /nfs/dbraw/zinc/56/51/05/388565105.db2.gz PDEWRPYCRNYCAK-GFCCVEGCSA-N 1 2 245.326 1.501 20 0 BDADLO c1nc(C2CC2)nc2c1C[N@H+]([C@@H]1CCOC1)CC2 ZINC000528740110 388565107 /nfs/dbraw/zinc/56/51/07/388565107.db2.gz PDEWRPYCRNYCAK-GFCCVEGCSA-N 1 2 245.326 1.501 20 0 BDADLO CC[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H](C)O ZINC000386746708 388576751 /nfs/dbraw/zinc/57/67/51/388576751.db2.gz ZUFFWQYTDUTDEC-VHSXEESVSA-N 1 2 233.315 1.567 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000184711545 388582365 /nfs/dbraw/zinc/58/23/65/388582365.db2.gz PWUXVIXYPAQAKG-CBAPKCEASA-N 1 2 249.236 1.393 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000184711545 388582368 /nfs/dbraw/zinc/58/23/68/388582368.db2.gz PWUXVIXYPAQAKG-CBAPKCEASA-N 1 2 249.236 1.393 20 0 BDADLO COCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000522006973 388674000 /nfs/dbraw/zinc/67/40/00/388674000.db2.gz YLFZOQCJEQSNAE-QWRGUYRKSA-N 1 2 239.319 1.375 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)N[C@H](C)CC)CCO1 ZINC000248145852 388674208 /nfs/dbraw/zinc/67/42/08/388674208.db2.gz ZQIMGZXPDVAAQY-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)CC)CCO1 ZINC000248145852 388674211 /nfs/dbraw/zinc/67/42/11/388674211.db2.gz ZQIMGZXPDVAAQY-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCC[C@H]2O)no1 ZINC000248428791 388679975 /nfs/dbraw/zinc/67/99/75/388679975.db2.gz AWOVGLCITQFSSX-VHSXEESVSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCCC[C@H]2O)no1 ZINC000248428791 388679977 /nfs/dbraw/zinc/67/99/77/388679977.db2.gz AWOVGLCITQFSSX-VHSXEESVSA-N 1 2 225.292 1.113 20 0 BDADLO CC(F)(F)CCC(=O)NCCCn1cc[nH+]c1 ZINC000642619728 388621698 /nfs/dbraw/zinc/62/16/98/388621698.db2.gz VACUDJJXLYUTRH-UHFFFAOYSA-N 1 2 245.273 1.825 20 0 BDADLO CCc1nc(C[N@H+](C)CCNC(C)=O)cs1 ZINC000551531455 388632486 /nfs/dbraw/zinc/63/24/86/388632486.db2.gz ZEHIIBYGQNFYCP-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO CCc1nc(C[N@@H+](C)CCNC(C)=O)cs1 ZINC000551531455 388632488 /nfs/dbraw/zinc/63/24/88/388632488.db2.gz ZEHIIBYGQNFYCP-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)Cn1cc[nH+]c1 ZINC000246508943 388640917 /nfs/dbraw/zinc/64/09/17/388640917.db2.gz TXRVXEJXJHVDPG-WUHRBBMRSA-N 1 2 247.342 1.682 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000189656513 388640998 /nfs/dbraw/zinc/64/09/98/388640998.db2.gz XZFYZYXNBLDMEW-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000189656513 388641000 /nfs/dbraw/zinc/64/10/00/388641000.db2.gz XZFYZYXNBLDMEW-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO CCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000620409558 388646571 /nfs/dbraw/zinc/64/65/71/388646571.db2.gz XEBLVXXLCGYYHH-NSHDSACASA-N 1 2 223.320 1.968 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cncs2)[C@H](C(N)=O)C1 ZINC000190159745 388647826 /nfs/dbraw/zinc/64/78/26/388647826.db2.gz RNTCBDTYBBPKFC-WPRPVWTQSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cncs2)[C@H](C(N)=O)C1 ZINC000190159745 388647828 /nfs/dbraw/zinc/64/78/28/388647828.db2.gz RNTCBDTYBBPKFC-WPRPVWTQSA-N 1 2 239.344 1.229 20 0 BDADLO CCc1cccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000190068529 388647834 /nfs/dbraw/zinc/64/78/34/388647834.db2.gz GDLYJBLAFSIIOP-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1cccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000190068529 388647836 /nfs/dbraw/zinc/64/78/36/388647836.db2.gz GDLYJBLAFSIIOP-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2CCO[C@@H]2C)no1 ZINC000329196478 388649818 /nfs/dbraw/zinc/64/98/18/388649818.db2.gz SYFFDDIHRZGWJK-RKDXNWHRSA-N 1 2 225.292 1.460 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1n[nH]cc1C1CC1 ZINC000648975019 388658152 /nfs/dbraw/zinc/65/81/52/388658152.db2.gz PTQYYRWILRQZBS-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1n[nH]cc1C1CC1 ZINC000648975019 388658154 /nfs/dbraw/zinc/65/81/54/388658154.db2.gz PTQYYRWILRQZBS-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO C[C@@H]1C[N@H+](CN2CC(C)(C)OC2=O)CCS1 ZINC000124131536 388660461 /nfs/dbraw/zinc/66/04/61/388660461.db2.gz NNGUPFJUKQWSPP-SECBINFHSA-N 1 2 244.360 1.612 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CC(C)(C)OC2=O)CCS1 ZINC000124131536 388660463 /nfs/dbraw/zinc/66/04/63/388660463.db2.gz NNGUPFJUKQWSPP-SECBINFHSA-N 1 2 244.360 1.612 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247221302 388660876 /nfs/dbraw/zinc/66/08/76/388660876.db2.gz CURQIRIMDDXHCM-UTUOFQBUSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247221302 388660878 /nfs/dbraw/zinc/66/08/78/388660878.db2.gz CURQIRIMDDXHCM-UTUOFQBUSA-N 1 2 243.347 1.827 20 0 BDADLO c1c[nH+]c(CNc2cnn(-c3ccccn3)c2)[nH]1 ZINC000124614701 388664650 /nfs/dbraw/zinc/66/46/50/388664650.db2.gz GCOHQDQIBSXGCQ-UHFFFAOYSA-N 1 2 240.270 1.603 20 0 BDADLO CCOC(=O)NCC(=O)Nc1cc[nH+]c(C)c1 ZINC000194512766 388734180 /nfs/dbraw/zinc/73/41/80/388734180.db2.gz NMUJFZDXKJOXBT-UHFFFAOYSA-N 1 2 237.259 1.075 20 0 BDADLO O=C(CC(F)(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000522258397 388737918 /nfs/dbraw/zinc/73/79/18/388737918.db2.gz ROQIQCQOOCOVLP-UHFFFAOYSA-N 1 2 233.193 1.219 20 0 BDADLO CNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000552845098 388738781 /nfs/dbraw/zinc/73/87/81/388738781.db2.gz JABIDUNYSULQDI-LURJTMIESA-N 1 2 235.209 1.202 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC(C)C)[C@H](C)O ZINC000248960359 388701298 /nfs/dbraw/zinc/70/12/98/388701298.db2.gz BAPKCQMTSQVLOB-GARJFASQSA-N 1 2 231.336 1.323 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249045176 388705927 /nfs/dbraw/zinc/70/59/27/388705927.db2.gz VTEYTPFTWAQTLH-YPMHNXCESA-N 1 2 249.314 1.029 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249045176 388705930 /nfs/dbraw/zinc/70/59/30/388705930.db2.gz VTEYTPFTWAQTLH-YPMHNXCESA-N 1 2 249.314 1.029 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cncs2)cn1 ZINC000538728127 388713413 /nfs/dbraw/zinc/71/34/13/388713413.db2.gz XRWWJUKLUAWNGE-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cncs2)cn1 ZINC000538728127 388713415 /nfs/dbraw/zinc/71/34/15/388713415.db2.gz XRWWJUKLUAWNGE-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)no1 ZINC000249596357 388729489 /nfs/dbraw/zinc/72/94/89/388729489.db2.gz WYIMPVHGSCQODU-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)no1 ZINC000249596357 388729493 /nfs/dbraw/zinc/72/94/93/388729493.db2.gz WYIMPVHGSCQODU-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000554199048 388802997 /nfs/dbraw/zinc/80/29/97/388802997.db2.gz AIUYMUZEZIOQEI-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCCS1)C1CC1 ZINC000230059405 388811484 /nfs/dbraw/zinc/81/14/84/388811484.db2.gz IIYMYKDZXIWRAL-MNOVXSKESA-N 1 2 243.372 1.813 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccccn2)C[C@H](C)O1 ZINC000251986822 388758579 /nfs/dbraw/zinc/75/85/79/388758579.db2.gz VSMCSDHQPKEWCO-AAEUAGOBSA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H](C)O1 ZINC000251986822 388758582 /nfs/dbraw/zinc/75/85/82/388758582.db2.gz VSMCSDHQPKEWCO-AAEUAGOBSA-N 1 2 236.315 1.317 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]1C ZINC000553393691 388767843 /nfs/dbraw/zinc/76/78/43/388767843.db2.gz RXJGHSLCOXEJNO-IONNQARKSA-N 1 2 207.277 1.175 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@@H]1C ZINC000553393691 388767846 /nfs/dbraw/zinc/76/78/46/388767846.db2.gz RXJGHSLCOXEJNO-IONNQARKSA-N 1 2 207.277 1.175 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cn(C)nc2C)cn1 ZINC000539824572 388781532 /nfs/dbraw/zinc/78/15/32/388781532.db2.gz IDVKUKJRYVPAGU-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cn(C)nc2C)cn1 ZINC000539824572 388781534 /nfs/dbraw/zinc/78/15/34/388781534.db2.gz IDVKUKJRYVPAGU-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO Cc1cc(NC[C@]2(C)CCOC2)nc(C2CC2)[nH+]1 ZINC000341512933 177708566 /nfs/dbraw/zinc/70/85/66/177708566.db2.gz KNZLHYUUMSCOLC-AWEZNQCLSA-N 1 2 247.342 1.923 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)[nH]1 ZINC000092618702 388813096 /nfs/dbraw/zinc/81/30/96/388813096.db2.gz IJEXDCANZZEENT-ZDUSSCGKSA-N 1 2 248.330 1.420 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)[nH]1 ZINC000092618702 388813097 /nfs/dbraw/zinc/81/30/97/388813097.db2.gz IJEXDCANZZEENT-ZDUSSCGKSA-N 1 2 248.330 1.420 20 0 BDADLO Cc1cc(CCNc2cc[nH+]c(C3CC3)n2)on1 ZINC000553728507 388788166 /nfs/dbraw/zinc/78/81/66/388788166.db2.gz VYIDDUQNBUCCKX-UHFFFAOYSA-N 1 2 244.298 1.727 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)no1 ZINC000068477463 388789758 /nfs/dbraw/zinc/78/97/58/388789758.db2.gz HFRSXBBAHXILAZ-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)no1 ZINC000068477463 388789759 /nfs/dbraw/zinc/78/97/59/388789759.db2.gz HFRSXBBAHXILAZ-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO CN(CC(C)(C)C)C(=O)Cc1c[nH+]cn1C ZINC000554485043 388816233 /nfs/dbraw/zinc/81/62/33/388816233.db2.gz LRKACEKAMRENSN-UHFFFAOYSA-N 1 2 223.320 1.467 20 0 BDADLO Cc1cc(NCC[C@H]2CCOC2)nc[nH+]1 ZINC000230103384 388816354 /nfs/dbraw/zinc/81/63/54/388816354.db2.gz UMASDNDBHHSFAD-JTQLQIEISA-N 1 2 207.277 1.624 20 0 BDADLO Cc1cc(NC(=O)COC(C)(C)C)c(C)c[nH+]1 ZINC000540890448 388821700 /nfs/dbraw/zinc/82/17/00/388821700.db2.gz YFIDKEHWHYIXRZ-UHFFFAOYSA-N 1 2 236.315 1.874 20 0 BDADLO CSC[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523688901 388852433 /nfs/dbraw/zinc/85/24/33/388852433.db2.gz OQDALAAVRUQYFN-VIFPVBQESA-N 1 2 239.344 1.266 20 0 BDADLO CCCc1nc(C[NH2+][C@H](COC)C(C)C)no1 ZINC000541596124 388860301 /nfs/dbraw/zinc/86/03/01/388860301.db2.gz IBHUTHIOALNPSM-SNVBAGLBSA-N 1 2 241.335 1.783 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649166444 388886213 /nfs/dbraw/zinc/88/62/13/388886213.db2.gz DBGJYTQNRHCBBD-SDDRHHMPSA-N 1 2 247.342 1.658 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCS[C@@H]2C)c[nH+]1 ZINC000649174505 388891515 /nfs/dbraw/zinc/89/15/15/388891515.db2.gz IEECUDVBBPMMNS-SVRRBLITSA-N 1 2 225.317 1.342 20 0 BDADLO CC[N@H+](Cc1ccccn1)Cc1cnccn1 ZINC000564863237 388896058 /nfs/dbraw/zinc/89/60/58/388896058.db2.gz YERGGTJQUCCTJE-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1ccccn1)Cc1cnccn1 ZINC000564863237 388896060 /nfs/dbraw/zinc/89/60/60/388896060.db2.gz YERGGTJQUCCTJE-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[C@@H](C)OCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565107885 388915025 /nfs/dbraw/zinc/91/50/25/388915025.db2.gz PSZYQZHRBQZZIE-SECBINFHSA-N 1 2 239.319 1.576 20 0 BDADLO C[C@@H](CC(=O)N1CCC[C@@H](F)C1)n1cc[nH+]c1 ZINC000565311279 388936549 /nfs/dbraw/zinc/93/65/49/388936549.db2.gz DOAOOYKJJPQGRU-WDEREUQCSA-N 1 2 239.294 1.795 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1[nH]cc[nH+]1 ZINC000565213739 388926884 /nfs/dbraw/zinc/92/68/84/388926884.db2.gz NIJBVEXSUGPOAO-QNSHHTMESA-N 1 2 219.288 1.633 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226404 388928483 /nfs/dbraw/zinc/92/84/83/388928483.db2.gz KUNMWKTYXSPHSW-BFHYXJOUSA-N 1 2 239.407 1.720 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565226411 388928559 /nfs/dbraw/zinc/92/85/59/388928559.db2.gz KUNMWKTYXSPHSW-MELADBBJSA-N 1 2 239.407 1.720 20 0 BDADLO CS[C@@H](C)CNc1nc(C)[nH+]cc1C ZINC000565230726 388929442 /nfs/dbraw/zinc/92/94/42/388929442.db2.gz UWRWKOPXVJMLTF-QMMMGPOBSA-N 1 2 211.334 1.679 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@@H]1CF)n1cc[nH+]c1 ZINC000565660050 388960788 /nfs/dbraw/zinc/96/07/88/388960788.db2.gz ITDYLTXYIQYSIF-GHMZBOCLSA-N 1 2 239.294 1.795 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC3CC3)ccn12 ZINC000565311642 388937343 /nfs/dbraw/zinc/93/73/43/388937343.db2.gz FMPJIRMPPUDKCJ-UHFFFAOYSA-N 1 2 215.256 1.535 20 0 BDADLO Cc1nc(N2CCC[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000301449881 132223612 /nfs/dbraw/zinc/22/36/12/132223612.db2.gz SNZPHYNQTNWZGU-LLVKDONJSA-N 1 2 221.304 1.363 20 0 BDADLO C[C@@H](CC(=O)Nc1nncs1)n1cc[nH+]c1 ZINC000565894552 388977240 /nfs/dbraw/zinc/97/72/40/388977240.db2.gz JYRVCYAJJQRIFM-ZETCQYMHSA-N 1 2 237.288 1.324 20 0 BDADLO O=C1NCC[C@]12CCC[N@H+]2Cc1cncc(F)c1 ZINC000565900354 388977937 /nfs/dbraw/zinc/97/79/37/388977937.db2.gz JUPHCOCZWWURQF-CYBMUJFWSA-N 1 2 249.289 1.075 20 0 BDADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1cncc(F)c1 ZINC000565900354 388977941 /nfs/dbraw/zinc/97/79/41/388977941.db2.gz JUPHCOCZWWURQF-CYBMUJFWSA-N 1 2 249.289 1.075 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC=C(C)CC1 ZINC000566020157 388983702 /nfs/dbraw/zinc/98/37/02/388983702.db2.gz GAVQEMUKJQWDLK-UHFFFAOYSA-N 1 2 220.276 1.224 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC=C(C)CC1 ZINC000566020157 388983699 /nfs/dbraw/zinc/98/36/99/388983699.db2.gz GAVQEMUKJQWDLK-UHFFFAOYSA-N 1 2 220.276 1.224 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000566048120 388984049 /nfs/dbraw/zinc/98/40/49/388984049.db2.gz FESMTRQVDBNZMB-VXGBXAGGSA-N 1 2 248.330 1.054 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000566048120 388984051 /nfs/dbraw/zinc/98/40/51/388984051.db2.gz FESMTRQVDBNZMB-VXGBXAGGSA-N 1 2 248.330 1.054 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566101370 388987154 /nfs/dbraw/zinc/98/71/54/388987154.db2.gz KWXYXPZHBIYPPB-JTQLQIEISA-N 1 2 239.344 1.401 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cncc(C)c1 ZINC000267149799 388998330 /nfs/dbraw/zinc/99/83/30/388998330.db2.gz DMZCYVNLTFGYDH-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO C[C@@H](CCO)Nc1cc[nH+]c2ccncc12 ZINC000267921350 389001752 /nfs/dbraw/zinc/00/17/52/389001752.db2.gz CTURVFRSPZPZHP-VIFPVBQESA-N 1 2 217.272 1.813 20 0 BDADLO CCCc1nnc(NCc2c[nH+]cn2C)s1 ZINC000271978126 389028421 /nfs/dbraw/zinc/02/84/21/389028421.db2.gz LTOAJJUWVNGCKM-UHFFFAOYSA-N 1 2 237.332 1.836 20 0 BDADLO COC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000270343202 389011151 /nfs/dbraw/zinc/01/11/51/389011151.db2.gz FMNHWVRINFDKPA-UHFFFAOYSA-N 1 2 211.305 1.838 20 0 BDADLO COC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000270343202 389011148 /nfs/dbraw/zinc/01/11/48/389011148.db2.gz FMNHWVRINFDKPA-UHFFFAOYSA-N 1 2 211.305 1.838 20 0 BDADLO CC[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1O ZINC000270544693 389012533 /nfs/dbraw/zinc/01/25/33/389012533.db2.gz DCNVROYKTQARBI-GXFFZTMASA-N 1 2 245.326 1.780 20 0 BDADLO Cc1cc(N2CCOC(C)(C)[C@H]2C)nc[nH+]1 ZINC000357195281 132272718 /nfs/dbraw/zinc/27/27/18/132272718.db2.gz DKZGBCZHDCWHRH-SNVBAGLBSA-N 1 2 221.304 1.789 20 0 BDADLO C[C@@H](C[S@@](C)=O)Nc1cc[nH+]c(C2CC2)n1 ZINC000273096374 389036549 /nfs/dbraw/zinc/03/65/49/389036549.db2.gz DKHJUMMEYFSKEO-ZKANADHPSA-N 1 2 239.344 1.533 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCC2)s1 ZINC000273405519 389040737 /nfs/dbraw/zinc/04/07/37/389040737.db2.gz RSGCOWHIMANQAL-VIFPVBQESA-N 1 2 239.344 1.334 20 0 BDADLO Cc1[nH+]cnc(N2CCC(=O)CC2)c1C ZINC000045951152 132299312 /nfs/dbraw/zinc/29/93/12/132299312.db2.gz SLPISPQVPIAXEE-UHFFFAOYSA-N 1 2 205.261 1.263 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895837 533482133 /nfs/dbraw/zinc/48/21/33/533482133.db2.gz IUXKVUWCCXOAEX-XDVGHUOJSA-N 1 2 247.220 1.880 20 0 BDADLO CSCCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493544355 533558551 /nfs/dbraw/zinc/55/85/51/533558551.db2.gz BKCDGYCEALHRFB-SNAWJCMRSA-N 1 2 239.344 1.634 20 0 BDADLO CCc1ncc(C(=O)NCC[NH+]2CCC2)s1 ZINC000533566640 322834638 /nfs/dbraw/zinc/83/46/38/322834638.db2.gz FXJZUEUAVBJPIF-UHFFFAOYSA-N 1 2 239.344 1.141 20 0 BDADLO Cc1cc(N2CCOC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000265395112 132182270 /nfs/dbraw/zinc/18/22/70/132182270.db2.gz WAJIAYAWFIGENQ-SNVBAGLBSA-N 1 2 233.315 1.888 20 0 BDADLO Cc1nc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000266287797 132185943 /nfs/dbraw/zinc/18/59/43/132185943.db2.gz VZPMIHNUAZOZSH-BEPCFFQHSA-N 1 2 239.344 1.131 20 0 BDADLO OCC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267264233 132188659 /nfs/dbraw/zinc/18/86/59/132188659.db2.gz XQNNNUBEKOXUOJ-UHFFFAOYSA-N 1 2 243.310 1.839 20 0 BDADLO Cc1nc(N2CCO[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000268053671 132190997 /nfs/dbraw/zinc/19/09/97/132190997.db2.gz UXKICDNWTRDLNZ-QWRGUYRKSA-N 1 2 219.288 1.543 20 0 BDADLO Cn1cncc1CN1CCN(C)c2[nH+]cccc21 ZINC000272285704 132200004 /nfs/dbraw/zinc/20/00/04/132200004.db2.gz RCORMSQTOLCSGV-UHFFFAOYSA-N 1 2 243.314 1.272 20 0 BDADLO c1cc(N2CCOC[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000273458250 132201768 /nfs/dbraw/zinc/20/17/68/132201768.db2.gz HVJFVQLSZQPQRO-GFCCVEGCSA-N 1 2 245.326 1.969 20 0 BDADLO Cc1nc(N2CCO[C@]3(CCO[C@@H]3C)C2)cc[nH+]1 ZINC000280588296 132210812 /nfs/dbraw/zinc/21/08/12/132210812.db2.gz WRCRTWMDKXJOSO-ZWNOBZJWSA-N 1 2 249.314 1.169 20 0 BDADLO FCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000280727505 132211037 /nfs/dbraw/zinc/21/10/37/132211037.db2.gz JOQUOMHCZIBCJB-UHFFFAOYSA-N 1 2 242.323 1.411 20 0 BDADLO FCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000280727505 132211038 /nfs/dbraw/zinc/21/10/38/132211038.db2.gz JOQUOMHCZIBCJB-UHFFFAOYSA-N 1 2 242.323 1.411 20 0 BDADLO Cc1nc(N2CCO[C@@]3(CCCOC3)C2)cc[nH+]1 ZINC000286552765 132215112 /nfs/dbraw/zinc/21/51/12/132215112.db2.gz JWBWFXHFAMLMCL-ZDUSSCGKSA-N 1 2 249.314 1.171 20 0 BDADLO Cc1nc(N2CCO[C@]3(CCCOC3)C2)cc[nH+]1 ZINC000286552763 132215197 /nfs/dbraw/zinc/21/51/97/132215197.db2.gz JWBWFXHFAMLMCL-CYBMUJFWSA-N 1 2 249.314 1.171 20 0 BDADLO CCc1nc(N2CCN(CC)C(=O)C2)cc(C)[nH+]1 ZINC000287019894 132215740 /nfs/dbraw/zinc/21/57/40/132215740.db2.gz VMFLKCYGFDOKJQ-UHFFFAOYSA-N 1 2 248.330 1.016 20 0 BDADLO Cc1cnc(C)c(N2CCn3c[nH+]cc3C2)n1 ZINC000290724908 132217414 /nfs/dbraw/zinc/21/74/14/132217414.db2.gz PVOPDCAVVGTTPF-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H](C)O1 ZINC000334050763 132247073 /nfs/dbraw/zinc/24/70/73/132247073.db2.gz RRPLJQDSUPJQIA-AOOOYVTPSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H](C)O1 ZINC000334050763 132247075 /nfs/dbraw/zinc/24/70/75/132247075.db2.gz RRPLJQDSUPJQIA-AOOOYVTPSA-N 1 2 248.330 1.665 20 0 BDADLO Cc1cc(N2CCOC3(CCCC3)C2)nc[nH+]1 ZINC000301726474 132256901 /nfs/dbraw/zinc/25/69/01/132256901.db2.gz VHYQKOAZVROTKJ-UHFFFAOYSA-N 1 2 233.315 1.934 20 0 BDADLO C[C@@H]1COCCN1c1nc(N)c2ccccc2[nH+]1 ZINC000301807924 132257890 /nfs/dbraw/zinc/25/78/90/132257890.db2.gz YKSXQXPXWARSRA-SECBINFHSA-N 1 2 244.298 1.437 20 0 BDADLO Cc1cc(N2C[C@@H](C)O[C@H](C3CC3)C2)nc[nH+]1 ZINC000359736216 132277266 /nfs/dbraw/zinc/27/72/66/132277266.db2.gz NXRDCBZJQIADPG-PWSUYJOCSA-N 1 2 233.315 1.789 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)C[C@H](C)O1 ZINC000361026120 132279266 /nfs/dbraw/zinc/27/92/66/132279266.db2.gz RGZKUGUESYRDQP-ONGXEEELSA-N 1 2 221.304 1.789 20 0 BDADLO CON(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363028932 132282247 /nfs/dbraw/zinc/28/22/47/132282247.db2.gz ZIMDIFBUAFYADO-LLVKDONJSA-N 1 2 249.314 1.318 20 0 BDADLO Cc1nc(N2CCC3(CCOC3=O)CC2)cc[nH+]1 ZINC000368542648 132283550 /nfs/dbraw/zinc/28/35/50/132283550.db2.gz HNCLXOPTNUFUPD-UHFFFAOYSA-N 1 2 247.298 1.319 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncccn1)CC2 ZINC000359895140 132300625 /nfs/dbraw/zinc/30/06/25/132300625.db2.gz GOMGTAUBRNMINT-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000357198607 132335843 /nfs/dbraw/zinc/33/58/43/132335843.db2.gz AUGADOYQROMGBK-CABZTGNLSA-N 1 2 247.342 1.870 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000038436748 132346080 /nfs/dbraw/zinc/34/60/80/132346080.db2.gz INFWUFGHPZCIOJ-CYBMUJFWSA-N 1 2 246.310 1.124 20 0 BDADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000046617150 132355037 /nfs/dbraw/zinc/35/50/37/132355037.db2.gz BWSYNGKBDSLRDI-UHFFFAOYSA-N 1 2 245.326 1.577 20 0 BDADLO Nc1nc(N2CCC(O)CC2)[nH+]c2ccccc12 ZINC000301769448 132361248 /nfs/dbraw/zinc/36/12/48/132361248.db2.gz IMQYWVYKHNMTNV-UHFFFAOYSA-N 1 2 244.298 1.173 20 0 BDADLO Cc1cc(N2CCS[C@H](C)C2)nc[nH+]1 ZINC000110540970 132449001 /nfs/dbraw/zinc/44/90/01/132449001.db2.gz CHSWFSWMXIEUES-SECBINFHSA-N 1 2 209.318 1.727 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC1(C)C ZINC000335796934 133910733 /nfs/dbraw/zinc/91/07/33/133910733.db2.gz RQOOCEWIVLPDHZ-VIFPVBQESA-N 1 2 236.319 1.408 20 0 BDADLO CC(C)CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000335922399 134007567 /nfs/dbraw/zinc/00/75/67/134007567.db2.gz KMKGCVZXRJFULP-CYBMUJFWSA-N 1 2 247.342 1.601 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335931564 134010815 /nfs/dbraw/zinc/01/08/15/134010815.db2.gz PEWHQANQPWKWJE-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCC[C@@H](C)O ZINC000351942618 134015604 /nfs/dbraw/zinc/01/56/04/134015604.db2.gz HJZCASXJZWMWRH-SECBINFHSA-N 1 2 237.303 1.591 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000335959593 134024536 /nfs/dbraw/zinc/02/45/36/134024536.db2.gz GZKIHSHNDHAXMJ-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000335959593 134024537 /nfs/dbraw/zinc/02/45/37/134024537.db2.gz GZKIHSHNDHAXMJ-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccn(C)n2)CCO1 ZINC000335966098 134028277 /nfs/dbraw/zinc/02/82/77/134028277.db2.gz NDCYDHRDKTVOQU-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccn(C)n2)CCO1 ZINC000335966098 134028278 /nfs/dbraw/zinc/02/82/78/134028278.db2.gz NDCYDHRDKTVOQU-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H](CO)c2ccsc2)n1 ZINC000352032047 134045011 /nfs/dbraw/zinc/04/50/11/134045011.db2.gz IZGQOQDRGYEVCS-NSHDSACASA-N 1 2 249.339 1.670 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CCc1ccccc1)C2 ZINC000336024130 134056638 /nfs/dbraw/zinc/05/66/38/134056638.db2.gz JHDCNABREMVRSL-UHFFFAOYSA-N 1 2 244.298 1.042 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CCc1ccccc1)C2 ZINC000336024130 134056639 /nfs/dbraw/zinc/05/66/39/134056639.db2.gz JHDCNABREMVRSL-UHFFFAOYSA-N 1 2 244.298 1.042 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000336025424 134056860 /nfs/dbraw/zinc/05/68/60/134056860.db2.gz ZLQDZFFPSNHZTC-JTQLQIEISA-N 1 2 233.315 1.573 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000336025424 134056861 /nfs/dbraw/zinc/05/68/61/134056861.db2.gz ZLQDZFFPSNHZTC-JTQLQIEISA-N 1 2 233.315 1.573 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000336033725 134059178 /nfs/dbraw/zinc/05/91/78/134059178.db2.gz NUWUWVPSPJUJEQ-MRVPVSSYSA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000336033725 134059179 /nfs/dbraw/zinc/05/91/79/134059179.db2.gz NUWUWVPSPJUJEQ-MRVPVSSYSA-N 1 2 243.253 1.891 20 0 BDADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]n1)CO2 ZINC000336039482 134060564 /nfs/dbraw/zinc/06/05/64/134060564.db2.gz LCMPMQIRVQITEL-LLVKDONJSA-N 1 2 233.246 1.772 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000352115569 134072185 /nfs/dbraw/zinc/07/21/85/134072185.db2.gz MFTZBQNDFLLKKG-SFYZADRCSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000352115569 134072186 /nfs/dbraw/zinc/07/21/86/134072186.db2.gz MFTZBQNDFLLKKG-SFYZADRCSA-N 1 2 213.281 1.406 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cscn2)C1 ZINC000336113846 134087609 /nfs/dbraw/zinc/08/76/09/134087609.db2.gz ILDCIXFXLKTWLI-VIFPVBQESA-N 1 2 212.318 1.611 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cscn2)C1 ZINC000336113846 134087610 /nfs/dbraw/zinc/08/76/10/134087610.db2.gz ILDCIXFXLKTWLI-VIFPVBQESA-N 1 2 212.318 1.611 20 0 BDADLO Cc1cccc(C[N@@H+]2CCC[C@](F)(CO)C2)n1 ZINC000336147808 134103170 /nfs/dbraw/zinc/10/31/70/134103170.db2.gz JLTDKMGFTWYJKZ-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1cccc(C[N@H+]2CCC[C@](F)(CO)C2)n1 ZINC000336147808 134103171 /nfs/dbraw/zinc/10/31/71/134103171.db2.gz JLTDKMGFTWYJKZ-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)nn1C ZINC000336150771 134103919 /nfs/dbraw/zinc/10/39/19/134103919.db2.gz HAQBCGLXSDGURR-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO CCOc1nnc(C[N@H+](CC)C[C@H](C)O)s1 ZINC000352204611 134104567 /nfs/dbraw/zinc/10/45/67/134104567.db2.gz YMNCZRXSFVKMFN-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](CC)C[C@H](C)O)s1 ZINC000352204611 134104568 /nfs/dbraw/zinc/10/45/68/134104568.db2.gz YMNCZRXSFVKMFN-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO Cc1cc[nH]c1C(=O)Nc1cc[nH+]cc1O ZINC000336154073 134105536 /nfs/dbraw/zinc/10/55/36/134105536.db2.gz JDPNNPNZKAVGNU-UHFFFAOYSA-N 1 2 217.228 1.098 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)n1C)C[C@@H](C)O ZINC000352219407 134108951 /nfs/dbraw/zinc/10/89/51/134108951.db2.gz CSZWWKSUVHJHPY-SNVBAGLBSA-N 1 2 240.351 1.141 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)n1C)C[C@@H](C)O ZINC000352219407 134108952 /nfs/dbraw/zinc/10/89/52/134108952.db2.gz CSZWWKSUVHJHPY-SNVBAGLBSA-N 1 2 240.351 1.141 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336168393 134113778 /nfs/dbraw/zinc/11/37/78/134113778.db2.gz MXZGLRGHXYAHOG-JTQLQIEISA-N 1 2 230.271 1.715 20 0 BDADLO CCc1ccccc1C[NH+]1CCS(=O)CC1 ZINC000336181089 134119204 /nfs/dbraw/zinc/11/92/04/134119204.db2.gz BIABCRNHMANMNQ-UHFFFAOYSA-N 1 2 237.368 1.813 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnn[nH]2)CC12CCC2 ZINC000336199389 134128043 /nfs/dbraw/zinc/12/80/43/134128043.db2.gz DJZYAIKKXYAZAF-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)CC12CCC2 ZINC000336199389 134128044 /nfs/dbraw/zinc/12/80/44/134128044.db2.gz DJZYAIKKXYAZAF-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c[nH]nn2)CC12CCC2 ZINC000336199389 134128045 /nfs/dbraw/zinc/12/80/45/134128045.db2.gz DJZYAIKKXYAZAF-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)CC12CCC2 ZINC000336199389 134128046 /nfs/dbraw/zinc/12/80/46/134128046.db2.gz DJZYAIKKXYAZAF-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)CC12CCC2 ZINC000336199389 134128047 /nfs/dbraw/zinc/12/80/47/134128047.db2.gz DJZYAIKKXYAZAF-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)CC12CCC2 ZINC000336199389 134128048 /nfs/dbraw/zinc/12/80/48/134128048.db2.gz DJZYAIKKXYAZAF-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO Cc1cc(N(C)Cc2ccon2)nc[nH+]1 ZINC000352264161 134128310 /nfs/dbraw/zinc/12/83/10/134128310.db2.gz GUSZRZPEMQHRMS-UHFFFAOYSA-N 1 2 204.233 1.409 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ncc(F)cc1F ZINC000336200076 134130167 /nfs/dbraw/zinc/13/01/67/134130167.db2.gz IXVLADIIUILFNX-UHFFFAOYSA-N 1 2 238.197 1.013 20 0 BDADLO O=C1C[N@H+](C[C@H]2CCCCC2(F)F)CCN1 ZINC000336202235 134130829 /nfs/dbraw/zinc/13/08/29/134130829.db2.gz RVOKUVVVMQXKHS-SECBINFHSA-N 1 2 232.274 1.244 20 0 BDADLO O=C1C[N@@H+](C[C@H]2CCCCC2(F)F)CCN1 ZINC000336202235 134130830 /nfs/dbraw/zinc/13/08/30/134130830.db2.gz RVOKUVVVMQXKHS-SECBINFHSA-N 1 2 232.274 1.244 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000168296515 134166856 /nfs/dbraw/zinc/16/68/56/134166856.db2.gz GBSYTRKAMGSYJR-DTWKUNHWSA-N 1 2 207.277 1.356 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1CF ZINC000359581707 134195997 /nfs/dbraw/zinc/19/59/97/134195997.db2.gz HUUXWGWAWCAHFZ-SNVBAGLBSA-N 1 2 239.294 1.313 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCCCS1)C(=O)OC ZINC000168389163 134197478 /nfs/dbraw/zinc/19/74/78/134197478.db2.gz YAJYDFXMNZCDNF-NXEZZACHSA-N 1 2 231.361 1.813 20 0 BDADLO C[C@@H]1CO[C@H](CO)CN1c1[nH]c2ccccc2[nH+]1 ZINC000168539578 134225597 /nfs/dbraw/zinc/22/55/97/134225597.db2.gz JPQYEJZLHOJWMP-ZJUUUORDSA-N 1 2 247.298 1.149 20 0 BDADLO C[C@H]1CO[C@H](CO)CN1c1[nH]c2ccccc2[nH+]1 ZINC000168539654 134225649 /nfs/dbraw/zinc/22/56/49/134225649.db2.gz JPQYEJZLHOJWMP-UWVGGRQHSA-N 1 2 247.298 1.149 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)CCCO1 ZINC000170766886 134253299 /nfs/dbraw/zinc/25/32/99/134253299.db2.gz NNKAUKCDJQKAHN-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)CCCO1 ZINC000170766886 134253300 /nfs/dbraw/zinc/25/33/00/134253300.db2.gz NNKAUKCDJQKAHN-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC000177260322 134296873 /nfs/dbraw/zinc/29/68/73/134296873.db2.gz QAZMDWZTBBEOCR-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC000177260322 134296874 /nfs/dbraw/zinc/29/68/74/134296874.db2.gz QAZMDWZTBBEOCR-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000177260322 134296875 /nfs/dbraw/zinc/29/68/75/134296875.db2.gz QAZMDWZTBBEOCR-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178821682 134315749 /nfs/dbraw/zinc/31/57/49/134315749.db2.gz YJOYFAZEJHQQET-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO CN(CC(=O)OC(C)(C)C)Cc1c[nH+]c[nH]1 ZINC000179806009 134324041 /nfs/dbraw/zinc/32/40/41/134324041.db2.gz NAFWUYXNKYZKCJ-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CN(CC(=O)OC(C)(C)C)Cc1c[nH]c[nH+]1 ZINC000179806009 134324042 /nfs/dbraw/zinc/32/40/42/134324042.db2.gz NAFWUYXNKYZKCJ-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO C[C@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000179866594 134324079 /nfs/dbraw/zinc/32/40/79/134324079.db2.gz LEGCDYQRPSYVIP-JTQLQIEISA-N 1 2 237.347 1.928 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000179866594 134324080 /nfs/dbraw/zinc/32/40/80/134324080.db2.gz LEGCDYQRPSYVIP-JTQLQIEISA-N 1 2 237.347 1.928 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cncc(F)c1 ZINC000222715088 134333935 /nfs/dbraw/zinc/33/39/35/134333935.db2.gz HMNLVWMAZOUXCL-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCC[N@H+](Cc1noc(COC)n1)C1CC1 ZINC000182436522 134341987 /nfs/dbraw/zinc/34/19/87/134341987.db2.gz SXTMTMUTQFENSM-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO CCC[N@@H+](Cc1noc(COC)n1)C1CC1 ZINC000182436522 134341988 /nfs/dbraw/zinc/34/19/88/134341988.db2.gz SXTMTMUTQFENSM-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC000183682546 134353128 /nfs/dbraw/zinc/35/31/28/134353128.db2.gz XDNCOTSOEUSSLE-GUBZILKMSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@@H](CSC)[NH2+][C@@H](CC)C(=O)OC ZINC000183869664 134357048 /nfs/dbraw/zinc/35/70/48/134357048.db2.gz RXGPIONDUBTKDN-IUCAKERBSA-N 1 2 219.350 1.669 20 0 BDADLO Cc1ccc(Cn2cc(CCO)cn2)c(C)[nH+]1 ZINC000185462993 134380521 /nfs/dbraw/zinc/38/05/21/134380521.db2.gz HGZNKOWDXYPSGB-UHFFFAOYSA-N 1 2 231.299 1.478 20 0 BDADLO COC(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185547658 134381659 /nfs/dbraw/zinc/38/16/59/134381659.db2.gz SKDVDFHTEXIBNH-GXSJLCMTSA-N 1 2 235.283 1.314 20 0 BDADLO CN(Cc1ccccn1)c1nc[nH+]c(N)c1Cl ZINC000227848577 134390692 /nfs/dbraw/zinc/39/06/92/134390692.db2.gz ARDOCCCNDHLPLR-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO CN(Cc1ccccn1)c1[nH+]cnc(N)c1Cl ZINC000227848577 134390694 /nfs/dbraw/zinc/39/06/94/134390694.db2.gz ARDOCCCNDHLPLR-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@]1(C)CCCO1)C1CC1 ZINC000227771149 134393717 /nfs/dbraw/zinc/39/37/17/134393717.db2.gz LLTXPRJGIRYMES-CMPLNLGQSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCCC(C)C)C1CC1 ZINC000227769429 134393950 /nfs/dbraw/zinc/39/39/50/134393950.db2.gz RHKOFNQVXPJGQB-LBPRGKRZSA-N 1 2 243.347 1.590 20 0 BDADLO Cc1cncc(C[NH2+]Cc2nccn2C)c1 ZINC000230313294 134495240 /nfs/dbraw/zinc/49/52/40/134495240.db2.gz XUISRULTWCGPON-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO c1nc(CNCc2cn3ccccc3[nH+]2)co1 ZINC000236585714 134830783 /nfs/dbraw/zinc/83/07/83/134830783.db2.gz YNZJTTZAOGCNIZ-UHFFFAOYSA-N 1 2 228.255 1.612 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)s1 ZINC000248617239 135017374 /nfs/dbraw/zinc/01/73/74/135017374.db2.gz KSONMAVBJZVJFP-ANRSDYALSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@@](C)=O)s1 ZINC000248617239 135017376 /nfs/dbraw/zinc/01/73/76/135017376.db2.gz KSONMAVBJZVJFP-ANRSDYALSA-N 1 2 246.401 1.650 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@H](C)O ZINC000248969046 135028708 /nfs/dbraw/zinc/02/87/08/135028708.db2.gz CEMUXZIKWMVUFE-RNWYCLNJSA-N 1 2 243.347 1.323 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC=C(C)C)[C@H](C)O ZINC000249093815 135033059 /nfs/dbraw/zinc/03/30/59/135033059.db2.gz OITDYOWAQMFPCI-SDDRHHMPSA-N 1 2 243.347 1.633 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@H](C)O ZINC000249093812 135033407 /nfs/dbraw/zinc/03/34/07/135033407.db2.gz OITDYOWAQMFPCI-GRYCIOLGSA-N 1 2 243.347 1.633 20 0 BDADLO c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)[nH]n1 ZINC000250136462 135049458 /nfs/dbraw/zinc/04/94/58/135049458.db2.gz YCYCBDXVCJWPKR-AXFHLTTASA-N 1 2 207.277 1.067 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000086765801 135096633 /nfs/dbraw/zinc/09/66/33/135096633.db2.gz QAWAWPSCRNOFEU-QMMMGPOBSA-N 1 2 227.333 1.336 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000086765801 135096635 /nfs/dbraw/zinc/09/66/35/135096635.db2.gz QAWAWPSCRNOFEU-QMMMGPOBSA-N 1 2 227.333 1.336 20 0 BDADLO Cc1nc(NC[C@@]2(C)CCCO2)cc[nH+]1 ZINC000087256210 135115174 /nfs/dbraw/zinc/11/51/74/135115174.db2.gz SOKHZBLBGNDFQK-LLVKDONJSA-N 1 2 207.277 1.766 20 0 BDADLO CC(C)[C@H](C)N(C)Cc1noc(C[NH3+])n1 ZINC000261536460 135171808 /nfs/dbraw/zinc/17/18/08/135171808.db2.gz RUGLILAZYGVLFL-QMMMGPOBSA-N 1 2 212.297 1.005 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261539558 135177862 /nfs/dbraw/zinc/17/78/62/135177862.db2.gz CTJUJAWYMBDDRF-SFYZADRCSA-N 1 2 220.263 1.144 20 0 BDADLO O=C(CCc1cccs1)NCc1c[nH+]c[nH]1 ZINC000084081784 135182317 /nfs/dbraw/zinc/18/23/17/135182317.db2.gz FHMOPGRKYDMJFJ-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C(CCc1cccs1)NCc1c[nH]c[nH+]1 ZINC000084081784 135182319 /nfs/dbraw/zinc/18/23/19/135182319.db2.gz FHMOPGRKYDMJFJ-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C(Nc1ccsc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261557334 135198154 /nfs/dbraw/zinc/19/81/54/135198154.db2.gz XFHIFPWCWFGBJV-SSDOTTSWSA-N 1 2 232.255 1.684 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000078879523 135245165 /nfs/dbraw/zinc/24/51/65/135245165.db2.gz KAVQBYFFCXRJJH-VIFPVBQESA-N 1 2 237.303 1.511 20 0 BDADLO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+]([C@@H](C)C(=O)[O-])CC2 ZINC000262397829 135298795 /nfs/dbraw/zinc/29/87/95/135298795.db2.gz NFYHVTXGGDXACD-TUAOUCFPSA-N 1 2 240.347 1.407 20 0 BDADLO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+]([C@@H](C)C(=O)[O-])CC2 ZINC000262397829 135298797 /nfs/dbraw/zinc/29/87/97/135298797.db2.gz NFYHVTXGGDXACD-TUAOUCFPSA-N 1 2 240.347 1.407 20 0 BDADLO CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+]([C@@H](C)C(=O)[O-])CC2 ZINC000262397829 135298798 /nfs/dbraw/zinc/29/87/98/135298798.db2.gz NFYHVTXGGDXACD-TUAOUCFPSA-N 1 2 240.347 1.407 20 0 BDADLO CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+]([C@@H](C)C(=O)[O-])CC2 ZINC000262397829 135298800 /nfs/dbraw/zinc/29/88/00/135298800.db2.gz NFYHVTXGGDXACD-TUAOUCFPSA-N 1 2 240.347 1.407 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000342638006 135299626 /nfs/dbraw/zinc/29/96/26/135299626.db2.gz UJIQOYBBHULQPZ-JOYOIKCWSA-N 1 2 221.304 1.804 20 0 BDADLO Cn1cc[nH+]c1Cn1cnc(-c2ccccn2)n1 ZINC000342705981 135312326 /nfs/dbraw/zinc/31/23/26/135312326.db2.gz ADXUQMSEKZEXQU-UHFFFAOYSA-N 1 2 240.270 1.122 20 0 BDADLO COCc1cnc(C[N@H+](C)[C@H]2CCOC2)s1 ZINC000342728993 135316048 /nfs/dbraw/zinc/31/60/48/135316048.db2.gz PGFWRVUFURBPNV-VIFPVBQESA-N 1 2 242.344 1.510 20 0 BDADLO COCc1cnc(C[N@@H+](C)[C@H]2CCOC2)s1 ZINC000342728993 135316049 /nfs/dbraw/zinc/31/60/49/135316049.db2.gz PGFWRVUFURBPNV-VIFPVBQESA-N 1 2 242.344 1.510 20 0 BDADLO Cc1c[nH+]c(CN2CCOC3(CCC3)C2)n1C ZINC000342785634 135318301 /nfs/dbraw/zinc/31/83/01/135318301.db2.gz RWBVDPZIFMYTEF-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO CCC[N@H+](CCOCCOC)CC(F)F ZINC000079406986 135320127 /nfs/dbraw/zinc/32/01/27/135320127.db2.gz QBJLDFJEMAJGLN-UHFFFAOYSA-N 1 2 225.279 1.627 20 0 BDADLO CCC[N@@H+](CCOCCOC)CC(F)F ZINC000079406986 135320129 /nfs/dbraw/zinc/32/01/29/135320129.db2.gz QBJLDFJEMAJGLN-UHFFFAOYSA-N 1 2 225.279 1.627 20 0 BDADLO Cc1c[nH+]c(CN(C)CCc2noc(C)n2)n1C ZINC000342799410 135320769 /nfs/dbraw/zinc/32/07/69/135320769.db2.gz NGYDLSLLOFWLNE-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1cnc(C[N@H+](C)CCc2noc(C)n2)n1C ZINC000342799410 135320771 /nfs/dbraw/zinc/32/07/71/135320771.db2.gz NGYDLSLLOFWLNE-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCc2noc(C)n2)n1C ZINC000342799410 135320773 /nfs/dbraw/zinc/32/07/73/135320773.db2.gz NGYDLSLLOFWLNE-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1nc2[nH]ccc2c(NC(C)(C)[C@@H](C)O)[nH+]1 ZINC000342800710 135322099 /nfs/dbraw/zinc/32/20/99/135322099.db2.gz UELDAWPZLRRQKA-SSDOTTSWSA-N 1 2 234.303 1.838 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334223093 135328205 /nfs/dbraw/zinc/32/82/05/135328205.db2.gz ZICHKEDSHQUZLO-SNVBAGLBSA-N 1 2 221.304 1.218 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC000334276277 135332530 /nfs/dbraw/zinc/33/25/30/135332530.db2.gz COJWDUHOUVFXSD-LLVKDONJSA-N 1 2 233.315 1.536 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334297585 135334840 /nfs/dbraw/zinc/33/48/40/135334840.db2.gz DDIRCKHPGZGCCC-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334338131 135357264 /nfs/dbraw/zinc/35/72/64/135357264.db2.gz XLWQVIDHVRRIFU-SNVBAGLBSA-N 1 2 230.271 1.715 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334357430 135370093 /nfs/dbraw/zinc/37/00/93/135370093.db2.gz QAORUCXYFWHBBS-LLVKDONJSA-N 1 2 245.282 1.355 20 0 BDADLO CSCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000334377875 135378484 /nfs/dbraw/zinc/37/84/84/135378484.db2.gz XAMDATHRZIDGPR-VIFPVBQESA-N 1 2 239.344 1.099 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000334380493 135380394 /nfs/dbraw/zinc/38/03/94/135380394.db2.gz ZOJLKQUXYHJGBH-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334390399 135383558 /nfs/dbraw/zinc/38/35/58/135383558.db2.gz SZXOAQPNPISKBS-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334390399 135383559 /nfs/dbraw/zinc/38/35/59/135383559.db2.gz SZXOAQPNPISKBS-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000074828021 135390091 /nfs/dbraw/zinc/39/00/91/135390091.db2.gz XOBKFJXCHLPWMC-UHFFFAOYSA-N 1 2 201.229 1.340 20 0 BDADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1ocnc1C1CC1 ZINC000334411405 135395394 /nfs/dbraw/zinc/39/53/94/135395394.db2.gz LERMRMDZSMWWRO-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ocnc1C1CC1 ZINC000334411405 135395395 /nfs/dbraw/zinc/39/53/95/135395395.db2.gz LERMRMDZSMWWRO-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO Cc1cc(CNC(=O)c2ccn[nH]2)cc(C)[nH+]1 ZINC000335073846 135887771 /nfs/dbraw/zinc/88/77/71/135887771.db2.gz OHKHSWOCJVACML-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc[nH]n1 ZINC000346703818 135969030 /nfs/dbraw/zinc/96/90/30/135969030.db2.gz DGYNEQAKQXDBBC-UHFFFAOYSA-N 1 2 218.216 1.066 20 0 BDADLO CNC(=O)C1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000346840208 135976972 /nfs/dbraw/zinc/97/69/72/135976972.db2.gz HSMHQBDWNHAOBW-UHFFFAOYSA-N 1 2 248.330 1.502 20 0 BDADLO C[C@](CO)([NH2+]Cc1ccon1)c1cccc(O)c1 ZINC000347714481 136003162 /nfs/dbraw/zinc/00/31/62/136003162.db2.gz DEQUEUBMNFOJJV-CYBMUJFWSA-N 1 2 248.282 1.378 20 0 BDADLO CSC1(C[N@H+](C)Cc2nnc[nH]2)CC1 ZINC000347852241 136012872 /nfs/dbraw/zinc/01/28/72/136012872.db2.gz AVPVTBCSYZHCRE-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CSC1(C[N@@H+](C)Cc2nnc[nH]2)CC1 ZINC000347852241 136012873 /nfs/dbraw/zinc/01/28/73/136012873.db2.gz AVPVTBCSYZHCRE-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CC[C@H](NC(=O)c1cnn(CC)c1)c1[nH]cc[nH+]1 ZINC000347944429 136019562 /nfs/dbraw/zinc/01/95/62/136019562.db2.gz DHTPAIWRXLAGFE-JTQLQIEISA-N 1 2 247.302 1.507 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000335306895 136026828 /nfs/dbraw/zinc/02/68/28/136026828.db2.gz UTYLVXMALLXLIQ-AAEUAGOBSA-N 1 2 233.315 1.662 20 0 BDADLO Cc1cc(C)n(CC[NH2+][C@@H](C)c2nc(C)no2)n1 ZINC000348099886 136036096 /nfs/dbraw/zinc/03/60/96/136036096.db2.gz XFBJQJPCWSNJRP-JTQLQIEISA-N 1 2 249.318 1.542 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348136905 136038701 /nfs/dbraw/zinc/03/87/01/136038701.db2.gz BAWPMQOJMWRJPR-NSHDSACASA-N 1 2 247.346 1.655 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348136905 136038702 /nfs/dbraw/zinc/03/87/02/136038702.db2.gz BAWPMQOJMWRJPR-NSHDSACASA-N 1 2 247.346 1.655 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1nccc(C)n1 ZINC000348194037 136050211 /nfs/dbraw/zinc/05/02/11/136050211.db2.gz OXNHJWFPGFETHK-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000335328504 136053344 /nfs/dbraw/zinc/05/33/44/136053344.db2.gz IERSFDZBRZVUPL-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000335328504 136053345 /nfs/dbraw/zinc/05/33/45/136053345.db2.gz IERSFDZBRZVUPL-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000335328504 136053346 /nfs/dbraw/zinc/05/33/46/136053346.db2.gz IERSFDZBRZVUPL-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000335328504 136053347 /nfs/dbraw/zinc/05/33/47/136053347.db2.gz IERSFDZBRZVUPL-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc2c1CCO2 ZINC000335331110 136053483 /nfs/dbraw/zinc/05/34/83/136053483.db2.gz WVUBLROLEHXNPR-UHFFFAOYSA-N 1 2 243.266 1.457 20 0 BDADLO CC[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)[C@@H]1CCCO1 ZINC000348281309 136059988 /nfs/dbraw/zinc/05/99/88/136059988.db2.gz MLDRBXYWNVORPF-SDDRHHMPSA-N 1 2 241.331 1.485 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccc[nH]1 ZINC000348239030 136062037 /nfs/dbraw/zinc/06/20/37/136062037.db2.gz FRUGDGAVZUENJN-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000335346231 136066481 /nfs/dbraw/zinc/06/64/81/136066481.db2.gz QOIWWSJXUBNNBZ-DTWKUNHWSA-N 1 2 223.276 1.015 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccncc1 ZINC000348327083 136070299 /nfs/dbraw/zinc/07/02/99/136070299.db2.gz MUECZLJIBUPWGD-UHFFFAOYSA-N 1 2 243.266 1.415 20 0 BDADLO C[C@H](CO)[N@@H+](Cc1csnn1)CC1CCC1 ZINC000348376732 136073556 /nfs/dbraw/zinc/07/35/56/136073556.db2.gz YNBXIPWTJVGRDC-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H](CO)[N@H+](Cc1csnn1)CC1CCC1 ZINC000348376732 136073557 /nfs/dbraw/zinc/07/35/57/136073557.db2.gz YNBXIPWTJVGRDC-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)[C@H]1C ZINC000335367528 136081962 /nfs/dbraw/zinc/08/19/62/136081962.db2.gz UPINXUWIUJOVGV-BDAKNGLRSA-N 1 2 220.320 1.533 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)[C@H]1C ZINC000335367528 136081963 /nfs/dbraw/zinc/08/19/63/136081963.db2.gz UPINXUWIUJOVGV-BDAKNGLRSA-N 1 2 220.320 1.533 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000335383886 136088116 /nfs/dbraw/zinc/08/81/16/136088116.db2.gz FYABVWWJENBWAR-QWRGUYRKSA-N 1 2 249.314 1.501 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547654 136096862 /nfs/dbraw/zinc/09/68/62/136096862.db2.gz JBJLZOPCPQBKNB-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2CC[C@](C)(O)C2)nn1C ZINC000335548680 136097268 /nfs/dbraw/zinc/09/72/68/136097268.db2.gz CGDIRGUFJUQYRB-NSHDSACASA-N 1 2 243.738 1.339 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2CC[C@](C)(O)C2)nn1C ZINC000335548680 136097269 /nfs/dbraw/zinc/09/72/69/136097269.db2.gz CGDIRGUFJUQYRB-NSHDSACASA-N 1 2 243.738 1.339 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335550601 136098101 /nfs/dbraw/zinc/09/81/01/136098101.db2.gz ZUBQJVOWAVQZKN-WDEREUQCSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335558063 136100117 /nfs/dbraw/zinc/10/01/17/136100117.db2.gz KGMNSWBOCSZFNT-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)NCC(C)C)n1 ZINC000348576949 136100393 /nfs/dbraw/zinc/10/03/93/136100393.db2.gz LGLCQUZVOIBJTD-UHFFFAOYSA-N 1 2 249.358 1.594 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)NCC(C)C)n1 ZINC000348576949 136100394 /nfs/dbraw/zinc/10/03/94/136100394.db2.gz LGLCQUZVOIBJTD-UHFFFAOYSA-N 1 2 249.358 1.594 20 0 BDADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC1(C)C ZINC000335559918 136100742 /nfs/dbraw/zinc/10/07/42/136100742.db2.gz SAHKIIBZWJURLW-JQWIXIFHSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ncnn2C)n1 ZINC000353238020 136100751 /nfs/dbraw/zinc/10/07/51/136100751.db2.gz UXNBEKFUPSJGKI-VIFPVBQESA-N 1 2 247.302 1.075 20 0 BDADLO CC(C)=CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335560500 136105790 /nfs/dbraw/zinc/10/57/90/136105790.db2.gz UGQMXWFQPXXPPF-NSHDSACASA-N 1 2 233.315 1.528 20 0 BDADLO C[C@@H]1C[C@H](CO)CN(c2cccc[nH+]2)C1 ZINC000335569738 136108514 /nfs/dbraw/zinc/10/85/14/136108514.db2.gz SHTLSJLHIYZCGQ-MNOVXSKESA-N 1 2 206.289 1.536 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](O)C2CCC2)c(C)[nH+]1 ZINC000335581081 136112439 /nfs/dbraw/zinc/11/24/39/136112439.db2.gz MUFXCYATOICQLF-LBPRGKRZSA-N 1 2 234.299 1.798 20 0 BDADLO Cc1ccc(NC(=O)[C@H](O)C2CCC2)c(C)[nH+]1 ZINC000335581080 136112471 /nfs/dbraw/zinc/11/24/71/136112471.db2.gz MUFXCYATOICQLF-GFCCVEGCSA-N 1 2 234.299 1.798 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC=CCC1 ZINC000335580598 136112533 /nfs/dbraw/zinc/11/25/33/136112533.db2.gz VCSWCDRPBHFGQP-CYBMUJFWSA-N 1 2 233.315 1.876 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@]1(C)CC=CCC1 ZINC000335580598 136112534 /nfs/dbraw/zinc/11/25/34/136112534.db2.gz VCSWCDRPBHFGQP-CYBMUJFWSA-N 1 2 233.315 1.876 20 0 BDADLO O=[S@@](CCn1cc[nH+]c1)c1ccccc1 ZINC000104664242 397783289 /nfs/dbraw/zinc/78/32/89/397783289.db2.gz JIXGQMIXNJAGNG-OAHLLOKOSA-N 1 2 220.297 1.691 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cn[nH]c2)o1 ZINC000308793489 397838477 /nfs/dbraw/zinc/83/84/77/397838477.db2.gz JHJHRZYYHOJXNQ-MRVPVSSYSA-N 1 2 206.249 1.557 20 0 BDADLO CCc1cc(NC[C@@H]2C[C@H]2CC)nc[nH+]1 ZINC000387646419 397853059 /nfs/dbraw/zinc/85/30/59/397853059.db2.gz CESQVYAVJMGIEL-ZJUUUORDSA-N 1 2 205.305 1.919 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccc[nH]1 ZINC000356110252 397927093 /nfs/dbraw/zinc/92/70/93/397927093.db2.gz AXUXNKODBQCKGQ-UHFFFAOYSA-N 1 2 204.277 1.678 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000356110252 397927098 /nfs/dbraw/zinc/92/70/98/397927098.db2.gz AXUXNKODBQCKGQ-UHFFFAOYSA-N 1 2 204.277 1.678 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc[nH]1 ZINC000356110252 397927101 /nfs/dbraw/zinc/92/71/01/397927101.db2.gz AXUXNKODBQCKGQ-UHFFFAOYSA-N 1 2 204.277 1.678 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc[nH]1 ZINC000356110252 397927109 /nfs/dbraw/zinc/92/71/09/397927109.db2.gz AXUXNKODBQCKGQ-UHFFFAOYSA-N 1 2 204.277 1.678 20 0 BDADLO CO[C@H](C)CNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631239187 397934145 /nfs/dbraw/zinc/93/41/45/397934145.db2.gz AVYRZWGEUCITHZ-SECBINFHSA-N 1 2 248.330 1.950 20 0 BDADLO CN(C[C@@H]1CCOC1)c1cc[nH+]c(C2CC2)n1 ZINC000267243256 397943376 /nfs/dbraw/zinc/94/33/76/397943376.db2.gz SFKMRUPLIHKAIG-JTQLQIEISA-N 1 2 233.315 1.827 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000650186522 397966587 /nfs/dbraw/zinc/96/65/87/397966587.db2.gz OZSLOPDEZHSCLW-RKDXNWHRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000650186522 397966588 /nfs/dbraw/zinc/96/65/88/397966588.db2.gz OZSLOPDEZHSCLW-RKDXNWHRSA-N 1 2 239.319 1.322 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nn2c1CCC2 ZINC000649578529 397966852 /nfs/dbraw/zinc/96/68/52/397966852.db2.gz TVERYXIAGJQRAA-UHFFFAOYSA-N 1 2 203.289 1.591 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nn2c1CCC2 ZINC000649578529 397966855 /nfs/dbraw/zinc/96/68/55/397966855.db2.gz TVERYXIAGJQRAA-UHFFFAOYSA-N 1 2 203.289 1.591 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)C[C@H](C)C2)[nH+]1 ZINC000649563810 397952937 /nfs/dbraw/zinc/95/29/37/397952937.db2.gz ISZSPCKLDKQYJX-WCBMZHEXSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cn1 ZINC000193604144 397896654 /nfs/dbraw/zinc/89/66/54/397896654.db2.gz GHXSDPLENFHBPV-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO c1c(C[N@@H+]2CCOC[C@@H]2C2CC2)nn2c1CCC2 ZINC000649571458 397962483 /nfs/dbraw/zinc/96/24/83/397962483.db2.gz KJXFDQPWXQILEC-CQSZACIVSA-N 1 2 247.342 1.440 20 0 BDADLO c1c(C[N@H+]2CCOC[C@@H]2C2CC2)nn2c1CCC2 ZINC000649571458 397962487 /nfs/dbraw/zinc/96/24/87/397962487.db2.gz KJXFDQPWXQILEC-CQSZACIVSA-N 1 2 247.342 1.440 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H](C)O1 ZINC000111276788 397906746 /nfs/dbraw/zinc/90/67/46/397906746.db2.gz GABBLCMOXJAPSB-JQWIXIFHSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H](C)O1 ZINC000111276788 397906749 /nfs/dbraw/zinc/90/67/49/397906749.db2.gz GABBLCMOXJAPSB-JQWIXIFHSA-N 1 2 240.347 1.107 20 0 BDADLO O=C1CC[C@@H](C[N@H+](CC(F)F)CC2CCC2)N1 ZINC000649571751 397963086 /nfs/dbraw/zinc/96/30/86/397963086.db2.gz VPPCKQLUFRQNBI-JTQLQIEISA-N 1 2 246.301 1.632 20 0 BDADLO O=C1CC[C@@H](C[N@@H+](CC(F)F)CC2CCC2)N1 ZINC000649571751 397963090 /nfs/dbraw/zinc/96/30/90/397963090.db2.gz VPPCKQLUFRQNBI-JTQLQIEISA-N 1 2 246.301 1.632 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364786211 397912345 /nfs/dbraw/zinc/91/23/45/397912345.db2.gz AMWOHZSEHXGRPF-CMPLNLGQSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364786211 397912349 /nfs/dbraw/zinc/91/23/49/397912349.db2.gz AMWOHZSEHXGRPF-CMPLNLGQSA-N 1 2 241.331 1.439 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1=CCC1 ZINC000355694730 397917985 /nfs/dbraw/zinc/91/79/85/397917985.db2.gz GRCGQVSKOWJBHZ-UHFFFAOYSA-N 1 2 205.261 1.099 20 0 BDADLO CCCC[C@H](C(=O)OC)N(C)Cc1c[nH+]c[nH]1 ZINC000595595236 397991587 /nfs/dbraw/zinc/99/15/87/397991587.db2.gz FKGOKNGMOWTVNF-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CCCC[C@H](C(=O)OC)N(C)Cc1c[nH]c[nH+]1 ZINC000595595236 397991590 /nfs/dbraw/zinc/99/15/90/397991590.db2.gz FKGOKNGMOWTVNF-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000649618088 397999930 /nfs/dbraw/zinc/99/99/30/397999930.db2.gz KRULELCZYPEYGN-CYBMUJFWSA-N 1 2 235.331 1.440 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000649618088 397999938 /nfs/dbraw/zinc/99/99/38/397999938.db2.gz KRULELCZYPEYGN-CYBMUJFWSA-N 1 2 235.331 1.440 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372311353 398001051 /nfs/dbraw/zinc/00/10/51/398001051.db2.gz ZTDUDOHOELFVGF-LBPRGKRZSA-N 1 2 249.358 1.950 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000372317642 398002118 /nfs/dbraw/zinc/00/21/18/398002118.db2.gz XJNJHEKGBMLHIE-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000372317642 398002119 /nfs/dbraw/zinc/00/21/19/398002119.db2.gz XJNJHEKGBMLHIE-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000232030045 398003762 /nfs/dbraw/zinc/00/37/62/398003762.db2.gz ODOHBRMPGDDHFG-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000232030045 398003765 /nfs/dbraw/zinc/00/37/65/398003765.db2.gz ODOHBRMPGDDHFG-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCc1cc[nH+]cc1NCc1cn(C)nn1 ZINC000650243002 398004505 /nfs/dbraw/zinc/00/45/05/398004505.db2.gz GKNNOVYIRWQOQV-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649622153 398006865 /nfs/dbraw/zinc/00/68/65/398006865.db2.gz WLTSDMMZVORZCB-SECBINFHSA-N 1 2 209.268 1.373 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649622153 398006868 /nfs/dbraw/zinc/00/68/68/398006868.db2.gz WLTSDMMZVORZCB-SECBINFHSA-N 1 2 209.268 1.373 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)o1 ZINC000277015950 398025237 /nfs/dbraw/zinc/02/52/37/398025237.db2.gz ZARGGLKQTICCCD-UHFFFAOYSA-N 1 2 246.270 1.037 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)o1 ZINC000277015950 398025241 /nfs/dbraw/zinc/02/52/41/398025241.db2.gz ZARGGLKQTICCCD-UHFFFAOYSA-N 1 2 246.270 1.037 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CF)CCC1 ZINC000583703143 398038444 /nfs/dbraw/zinc/03/84/44/398038444.db2.gz ODBKKUSZUVZACT-VIFPVBQESA-N 1 2 239.294 1.597 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(CF)CCC1 ZINC000583703143 398038449 /nfs/dbraw/zinc/03/84/49/398038449.db2.gz ODBKKUSZUVZACT-VIFPVBQESA-N 1 2 239.294 1.597 20 0 BDADLO c1c(C[N@@H+]2CCOCC3(CC3)C2)nn2c1CCC2 ZINC000649581998 397969531 /nfs/dbraw/zinc/96/95/31/397969531.db2.gz URROCRAJLYGTIF-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO c1c(C[N@H+]2CCOCC3(CC3)C2)nn2c1CCC2 ZINC000649581998 397969534 /nfs/dbraw/zinc/96/95/34/397969534.db2.gz URROCRAJLYGTIF-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000365048891 397986937 /nfs/dbraw/zinc/98/69/37/397986937.db2.gz VUGPJTBVXPJWIL-QWRGUYRKSA-N 1 2 246.314 1.525 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000595302858 397987370 /nfs/dbraw/zinc/98/73/70/397987370.db2.gz MIWWXQMETSYNPQ-IUCAKERBSA-N 1 2 249.257 1.048 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000595302858 397987371 /nfs/dbraw/zinc/98/73/71/397987371.db2.gz MIWWXQMETSYNPQ-IUCAKERBSA-N 1 2 249.257 1.048 20 0 BDADLO Cn1c[nH+]cc1COc1ccccc1CCO ZINC000203788619 397987958 /nfs/dbraw/zinc/98/79/58/397987958.db2.gz WVPNORWJKVSBTH-UHFFFAOYSA-N 1 2 232.283 1.534 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)C)[C@@H](CC)CO1 ZINC000649722011 398065528 /nfs/dbraw/zinc/06/55/28/398065528.db2.gz GYOOCRWZMXIUQA-NWDGAFQWSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)[C@@H](CC)CO1 ZINC000649722011 398065531 /nfs/dbraw/zinc/06/55/31/398065531.db2.gz GYOOCRWZMXIUQA-NWDGAFQWSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC2CC2)[C@H](C)CO1 ZINC000649732383 398072554 /nfs/dbraw/zinc/07/25/54/398072554.db2.gz WLAATXOEBCCLLI-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC2CC2)[C@H](C)CO1 ZINC000649732383 398072556 /nfs/dbraw/zinc/07/25/56/398072556.db2.gz WLAATXOEBCCLLI-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CN(C)c1ncnc(Cl)c1C[N@H+](C)C1CC1 ZINC000283386984 398072839 /nfs/dbraw/zinc/07/28/39/398072839.db2.gz DBUTVTVWTTTYJM-UHFFFAOYSA-N 1 2 240.738 1.790 20 0 BDADLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)C1CC1 ZINC000283386984 398072842 /nfs/dbraw/zinc/07/28/42/398072842.db2.gz DBUTVTVWTTTYJM-UHFFFAOYSA-N 1 2 240.738 1.790 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(C)n2)[C@H](C)CO1 ZINC000649737440 398075683 /nfs/dbraw/zinc/07/56/83/398075683.db2.gz ZNEMCIVMUAICGT-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(C)n2)[C@H](C)CO1 ZINC000649737440 398075688 /nfs/dbraw/zinc/07/56/88/398075688.db2.gz ZNEMCIVMUAICGT-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CO[C@@](C)(C[N@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000638096274 398075908 /nfs/dbraw/zinc/07/59/08/398075908.db2.gz GZYVEMTWCAIYEY-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@](C)(C[N@@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000638096274 398075911 /nfs/dbraw/zinc/07/59/11/398075911.db2.gz GZYVEMTWCAIYEY-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC[C@H]1C[N@H+](Cc2snnc2C)[C@@H](C)CO1 ZINC000649736893 398078605 /nfs/dbraw/zinc/07/86/05/398078605.db2.gz LXJCLJNFMSSAMD-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2snnc2C)[C@@H](C)CO1 ZINC000649736893 398078607 /nfs/dbraw/zinc/07/86/07/398078607.db2.gz LXJCLJNFMSSAMD-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)ncn2)[C@@H](C)CO1 ZINC000649736775 398078737 /nfs/dbraw/zinc/07/87/37/398078737.db2.gz JAQAUMUFARRFHK-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)ncn2)[C@@H](C)CO1 ZINC000649736775 398078739 /nfs/dbraw/zinc/07/87/39/398078739.db2.gz JAQAUMUFARRFHK-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000186976808 398081233 /nfs/dbraw/zinc/08/12/33/398081233.db2.gz XUMSMSAHJVXPKS-LBPRGKRZSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000186976808 398081236 /nfs/dbraw/zinc/08/12/36/398081236.db2.gz XUMSMSAHJVXPKS-LBPRGKRZSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccoc1CN1CCn2c[nH+]cc2C1 ZINC000291568211 398095380 /nfs/dbraw/zinc/09/53/80/398095380.db2.gz NPUUJTHLQVMIGV-UHFFFAOYSA-N 1 2 217.272 1.800 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@@H]2CCCOC2)[nH]1 ZINC000649755119 398084982 /nfs/dbraw/zinc/08/49/82/398084982.db2.gz FRDJDBVKFMYDPL-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@@H]2CCCOC2)[nH]1 ZINC000649755119 398084983 /nfs/dbraw/zinc/08/49/83/398084983.db2.gz FRDJDBVKFMYDPL-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@@H]2CCCOC2)o1 ZINC000649759050 398089161 /nfs/dbraw/zinc/08/91/61/398089161.db2.gz DCMHIJLBPHTOOM-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@@H]2CCCOC2)o1 ZINC000649759050 398089164 /nfs/dbraw/zinc/08/91/64/398089164.db2.gz DCMHIJLBPHTOOM-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736308 398096136 /nfs/dbraw/zinc/09/61/36/398096136.db2.gz HPUZLMGMMALDKD-ZJUUUORDSA-N 1 2 235.331 1.977 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736308 398096138 /nfs/dbraw/zinc/09/61/38/398096138.db2.gz HPUZLMGMMALDKD-ZJUUUORDSA-N 1 2 235.331 1.977 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC000649716660 398057427 /nfs/dbraw/zinc/05/74/27/398057427.db2.gz JWLNFRABJQUJKE-GFCCVEGCSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC000649716660 398057432 /nfs/dbraw/zinc/05/74/32/398057432.db2.gz JWLNFRABJQUJKE-GFCCVEGCSA-N 1 2 237.347 1.810 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)c1ccccc1F ZINC000384826542 398107534 /nfs/dbraw/zinc/10/75/34/398107534.db2.gz SFABQNCYEZDFGQ-UWVGGRQHSA-N 1 2 237.274 1.464 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)c1ccccc1F ZINC000384826542 398107536 /nfs/dbraw/zinc/10/75/36/398107536.db2.gz SFABQNCYEZDFGQ-UWVGGRQHSA-N 1 2 237.274 1.464 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000122198543 398097035 /nfs/dbraw/zinc/09/70/35/398097035.db2.gz XXJPNZOPYKFDBR-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)nc1 ZINC000122198543 398097039 /nfs/dbraw/zinc/09/70/39/398097039.db2.gz XXJPNZOPYKFDBR-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2CF)cn1 ZINC000294036644 398120479 /nfs/dbraw/zinc/12/04/79/398120479.db2.gz OOFPNGKDJFOGLX-NSHDSACASA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2CF)cn1 ZINC000294036644 398120482 /nfs/dbraw/zinc/12/04/82/398120482.db2.gz OOFPNGKDJFOGLX-NSHDSACASA-N 1 2 238.310 1.477 20 0 BDADLO CN(CCF)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000294476323 398127731 /nfs/dbraw/zinc/12/77/31/398127731.db2.gz RFRNBSVCTUSFLX-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)[nH]1 ZINC000571951740 398128373 /nfs/dbraw/zinc/12/83/73/398128373.db2.gz ONDUJZXJTLWNBF-VIFPVBQESA-N 1 2 248.334 1.741 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C(C)(F)F ZINC000294660546 398129881 /nfs/dbraw/zinc/12/98/81/398129881.db2.gz KTQMOOPVRFENKI-QMMMGPOBSA-N 1 2 243.257 1.517 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)C(C)(F)F ZINC000294660544 398129895 /nfs/dbraw/zinc/12/98/95/398129895.db2.gz KTQMOOPVRFENKI-MRVPVSSYSA-N 1 2 243.257 1.517 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OCC23CCC3)cn1 ZINC000649822027 398123491 /nfs/dbraw/zinc/12/34/91/398123491.db2.gz XBFBATYBQQZNAD-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OCC23CCC3)cn1 ZINC000649822027 398123494 /nfs/dbraw/zinc/12/34/94/398123494.db2.gz XBFBATYBQQZNAD-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000336690840 398133129 /nfs/dbraw/zinc/13/31/29/398133129.db2.gz HYEUSQKQOJZFAR-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000336690840 398133132 /nfs/dbraw/zinc/13/31/32/398133132.db2.gz HYEUSQKQOJZFAR-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H](O)C2CC2)s1 ZINC000680061730 487529773 /nfs/dbraw/zinc/52/97/73/487529773.db2.gz ULZXMIJTOYFIOC-VIFPVBQESA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H](O)C2CC2)s1 ZINC000680061730 487529777 /nfs/dbraw/zinc/52/97/77/487529777.db2.gz ULZXMIJTOYFIOC-VIFPVBQESA-N 1 2 241.360 1.303 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000527005026 487567149 /nfs/dbraw/zinc/56/71/49/487567149.db2.gz UQHMROHQQIWETQ-IJLUTSLNSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000527005026 487567152 /nfs/dbraw/zinc/56/71/52/487567152.db2.gz UQHMROHQQIWETQ-IJLUTSLNSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(C1CCCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785469 487574963 /nfs/dbraw/zinc/57/49/63/487574963.db2.gz DULJHLXQWGIQJF-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO O=C(C1CCCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785469 487574969 /nfs/dbraw/zinc/57/49/69/487574969.db2.gz DULJHLXQWGIQJF-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO c1cnc2cc(C[NH+]3CCOCC3)ccc2n1 ZINC000144956023 487579567 /nfs/dbraw/zinc/57/95/67/487579567.db2.gz SCWPGFXSLWKMLO-UHFFFAOYSA-N 1 2 229.283 1.462 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](CC(F)F)C[C@@H]1O ZINC000680387561 487581289 /nfs/dbraw/zinc/58/12/89/487581289.db2.gz XEVHMZFLZJSIAQ-IUCAKERBSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](CC(F)F)C[C@@H]1O ZINC000680387561 487581292 /nfs/dbraw/zinc/58/12/92/487581292.db2.gz XEVHMZFLZJSIAQ-IUCAKERBSA-N 1 2 221.291 1.980 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000674468495 487584685 /nfs/dbraw/zinc/58/46/85/487584685.db2.gz BYAYKWPMTRQJOI-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000674468495 487584690 /nfs/dbraw/zinc/58/46/90/487584690.db2.gz BYAYKWPMTRQJOI-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO c1[nH]cc(NCc2cnc(N3CCCC3)nc2)[nH+]1 ZINC000685845702 487586509 /nfs/dbraw/zinc/58/65/09/487586509.db2.gz UMBOOVSTTHPSNQ-UHFFFAOYSA-N 1 2 244.302 1.412 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353173878 167261548 /nfs/dbraw/zinc/26/15/48/167261548.db2.gz PSJUQNCZDPRPMN-UWVGGRQHSA-N 1 2 237.290 1.502 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353173878 167261551 /nfs/dbraw/zinc/26/15/51/167261551.db2.gz PSJUQNCZDPRPMN-UWVGGRQHSA-N 1 2 237.290 1.502 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc2ccccc2[nH]1 ZINC000674505417 487589772 /nfs/dbraw/zinc/58/97/72/487589772.db2.gz GNRXEIIUAYVNAC-UHFFFAOYSA-N 1 2 217.272 1.085 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc2ccccc2[nH]1 ZINC000674505417 487589776 /nfs/dbraw/zinc/58/97/76/487589776.db2.gz GNRXEIIUAYVNAC-UHFFFAOYSA-N 1 2 217.272 1.085 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3coc(C)n3)C2)c1 ZINC000585639804 487591489 /nfs/dbraw/zinc/59/14/89/487591489.db2.gz MMEFRPQNTHQFJX-CYBMUJFWSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3coc(C)n3)C2)c1 ZINC000585639804 487591493 /nfs/dbraw/zinc/59/14/93/487591493.db2.gz MMEFRPQNTHQFJX-CYBMUJFWSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1nccnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685907384 487593635 /nfs/dbraw/zinc/59/36/35/487593635.db2.gz WWLJQRFANDETIE-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)c2ccncc2)CC1=O ZINC000680436100 487593701 /nfs/dbraw/zinc/59/37/01/487593701.db2.gz NMISQRRFSBWRCT-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)c2ccncc2)CC1=O ZINC000680436100 487593705 /nfs/dbraw/zinc/59/37/05/487593705.db2.gz NMISQRRFSBWRCT-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccn(C)n1 ZINC000680465690 487601250 /nfs/dbraw/zinc/60/12/50/487601250.db2.gz QOGMSGPUBOARPT-NSHDSACASA-N 1 2 233.319 1.693 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)c1 ZINC000668825249 487608586 /nfs/dbraw/zinc/60/85/86/487608586.db2.gz MGCJXZJRJCBUEM-GFCCVEGCSA-N 1 2 244.285 1.881 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)c1 ZINC000668825249 487608591 /nfs/dbraw/zinc/60/85/91/487608591.db2.gz MGCJXZJRJCBUEM-GFCCVEGCSA-N 1 2 244.285 1.881 20 0 BDADLO CCn1ncnc1C[N@H+](C)CC1=CCSC1 ZINC000662263092 409557176 /nfs/dbraw/zinc/55/71/76/409557176.db2.gz HDSGJLZVEOJBED-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CC1=CCSC1 ZINC000662263092 409557186 /nfs/dbraw/zinc/55/71/86/409557186.db2.gz HDSGJLZVEOJBED-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO C[C@H]([NH2+]Cc1nn(C)c(=O)[nH]1)c1ccsc1 ZINC000309778114 487610236 /nfs/dbraw/zinc/61/02/36/487610236.db2.gz MEYHHQQRZVZTGU-ZETCQYMHSA-N 1 2 238.316 1.021 20 0 BDADLO C[C@@H]([NH2+]Cc1nn(C)c(=O)[nH]1)c1ccsc1 ZINC000309778113 487610189 /nfs/dbraw/zinc/61/01/89/487610189.db2.gz MEYHHQQRZVZTGU-SSDOTTSWSA-N 1 2 238.316 1.021 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@](C)(C(F)F)O1 ZINC000662358777 409673834 /nfs/dbraw/zinc/67/38/34/409673834.db2.gz FIAUZVBXRVUZIB-KCJUWKMLSA-N 1 2 245.273 1.654 20 0 BDADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@](C)(C(F)F)O1 ZINC000662358777 409673841 /nfs/dbraw/zinc/67/38/41/409673841.db2.gz FIAUZVBXRVUZIB-KCJUWKMLSA-N 1 2 245.273 1.654 20 0 BDADLO CC[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660761245 409721536 /nfs/dbraw/zinc/72/15/36/409721536.db2.gz OVYPFPFPVKSCRV-LLVKDONJSA-N 1 2 216.288 1.846 20 0 BDADLO CC[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660761245 409721544 /nfs/dbraw/zinc/72/15/44/409721544.db2.gz OVYPFPFPVKSCRV-LLVKDONJSA-N 1 2 216.288 1.846 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2cn(C)c[nH+]2)n1 ZINC000660926930 409973605 /nfs/dbraw/zinc/97/36/05/409973605.db2.gz ULSGUQFMSFWCGH-QMMMGPOBSA-N 1 2 235.291 1.305 20 0 BDADLO CCCc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]n1 ZINC000655401819 410205123 /nfs/dbraw/zinc/20/51/23/410205123.db2.gz IWLIHQLIMODOBU-MRVPVSSYSA-N 1 2 247.302 1.576 20 0 BDADLO C[C@@H](NC(=O)C1(C(F)(F)F)CC1)c1[nH]cc[nH+]1 ZINC000655401906 410205478 /nfs/dbraw/zinc/20/54/78/410205478.db2.gz XOMHHAFTGMXGPI-ZCFIWIBFSA-N 1 2 247.220 1.929 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)C[C@H]1C)c1[nH]cc[nH+]1 ZINC000655403451 410208550 /nfs/dbraw/zinc/20/85/50/410208550.db2.gz BULDTTVENAAHNU-FXPVBKGRSA-N 1 2 249.314 1.592 20 0 BDADLO C[C@@H](NC(=O)c1c[nH]nc1C1CC1)c1[nH]cc[nH+]1 ZINC000655403489 410209307 /nfs/dbraw/zinc/20/93/07/410209307.db2.gz NWZVOWDXJHYQAV-SSDOTTSWSA-N 1 2 245.286 1.501 20 0 BDADLO CC[C@H](C)[N@H+](CC)Cc1noc(CCOC)n1 ZINC000661103966 410224290 /nfs/dbraw/zinc/22/42/90/410224290.db2.gz IVRMQJPWUMCQIW-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO CC[C@H](C)[N@@H+](CC)Cc1noc(CCOC)n1 ZINC000661103966 410224297 /nfs/dbraw/zinc/22/42/97/410224297.db2.gz IVRMQJPWUMCQIW-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO O=C(CC[NH2+]C1CC1)Nc1ccc2nn[nH]c2c1 ZINC000655423479 410233587 /nfs/dbraw/zinc/23/35/87/410233587.db2.gz GJZQQUILOCWINI-UHFFFAOYSA-N 1 2 245.286 1.039 20 0 BDADLO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(F)F ZINC000393203371 410310184 /nfs/dbraw/zinc/31/01/84/410310184.db2.gz FBTLXEFVHIGFOK-HTQZYQBOSA-N 1 2 241.303 1.197 20 0 BDADLO Cc1ccoc1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661225061 410370024 /nfs/dbraw/zinc/37/00/24/410370024.db2.gz AFAQPAAWVSCAST-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO Cc1ccoc1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661225061 410370029 /nfs/dbraw/zinc/37/00/29/410370029.db2.gz AFAQPAAWVSCAST-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO CCc1nc(N(C)Cc2c[nH]cn2)cc(C)[nH+]1 ZINC000664128435 410462812 /nfs/dbraw/zinc/46/28/12/410462812.db2.gz YEOGFQYOCVWPDT-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO Cc1nc(NC/C=C/CO)c2c([nH+]1)CCCC2 ZINC000664238672 410524841 /nfs/dbraw/zinc/52/48/41/410524841.db2.gz ZDNJZOJXXSTSHE-SNAWJCMRSA-N 1 2 233.315 1.624 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153074248 410581355 /nfs/dbraw/zinc/58/13/55/410581355.db2.gz KQXSVCHUFRGJFG-VXGBXAGGSA-N 1 2 247.342 1.823 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H]2COC[C@H]2C1 ZINC000664553904 410599866 /nfs/dbraw/zinc/59/98/66/410599866.db2.gz RISOWPVBUAFNNV-WDEREUQCSA-N 1 2 249.314 1.266 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000664553902 410600258 /nfs/dbraw/zinc/60/02/58/410600258.db2.gz RISOWPVBUAFNNV-MNOVXSKESA-N 1 2 249.314 1.266 20 0 BDADLO Cc1cc(N2CC[C@H]3COC[C@H]3C2)nc[nH+]1 ZINC000664556047 410600760 /nfs/dbraw/zinc/60/07/60/410600760.db2.gz IWLGRTJZHCZRNZ-WDEREUQCSA-N 1 2 219.288 1.258 20 0 BDADLO CCOC1CC(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000661415562 410629841 /nfs/dbraw/zinc/62/98/41/410629841.db2.gz ZLQUGMLAFXVERF-VQXHTEKXSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1CC(C[N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000661415562 410629844 /nfs/dbraw/zinc/62/98/44/410629844.db2.gz ZLQUGMLAFXVERF-VQXHTEKXSA-N 1 2 249.301 1.503 20 0 BDADLO COc1ccc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)nc1 ZINC000661545412 410744174 /nfs/dbraw/zinc/74/41/74/410744174.db2.gz WKRHPJPVEWFBJN-GHMZBOCLSA-N 1 2 248.326 1.747 20 0 BDADLO OCc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000395040824 410834532 /nfs/dbraw/zinc/83/45/32/410834532.db2.gz DJSDZYGWHJVQTK-UHFFFAOYSA-N 1 2 218.256 1.457 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672157100 487619144 /nfs/dbraw/zinc/61/91/44/487619144.db2.gz ZAOGCWRFYIQYJK-TUAOUCFPSA-N 1 2 249.358 1.996 20 0 BDADLO CCOC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000040879296 410893448 /nfs/dbraw/zinc/89/34/48/410893448.db2.gz KONOPIKLMOVNJP-UHFFFAOYSA-N 1 2 236.315 1.579 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C ZINC000635489670 410903790 /nfs/dbraw/zinc/90/37/90/410903790.db2.gz KKQUBIPCFXNLAL-RKDXNWHRSA-N 1 2 245.286 1.492 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C ZINC000635489670 410903798 /nfs/dbraw/zinc/90/37/98/410903798.db2.gz KKQUBIPCFXNLAL-RKDXNWHRSA-N 1 2 245.286 1.492 20 0 BDADLO CC(C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048843902 167075239 /nfs/dbraw/zinc/07/52/39/167075239.db2.gz FNOROQTUTDHBFI-UHFFFAOYSA-N 1 2 232.287 1.542 20 0 BDADLO CC(C)OC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000130084225 167169058 /nfs/dbraw/zinc/16/90/58/167169058.db2.gz JNMTXZGRWIQEEO-SNVBAGLBSA-N 1 2 239.319 1.192 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000133783253 167170720 /nfs/dbraw/zinc/17/07/20/167170720.db2.gz CAJLGQRGNCTPPG-NSHDSACASA-N 1 2 236.315 1.854 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000133783253 167170725 /nfs/dbraw/zinc/17/07/25/167170725.db2.gz CAJLGQRGNCTPPG-NSHDSACASA-N 1 2 236.315 1.854 20 0 BDADLO CC(C)Oc1nccnc1NCCn1cc[nH+]c1 ZINC000302241631 167315813 /nfs/dbraw/zinc/31/58/13/167315813.db2.gz YDMCNDJBNUEGEX-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)C(F)(F)F ZINC000398004070 410938272 /nfs/dbraw/zinc/93/82/72/410938272.db2.gz PKWIXEJBDDWRQJ-PHDIDXHHSA-N 1 2 233.180 1.687 20 0 BDADLO FC(F)Cn1cc(C[NH2+]Cc2cocn2)cn1 ZINC000397718116 410931926 /nfs/dbraw/zinc/93/19/26/410931926.db2.gz IGMQQGCKEJWIIJ-UHFFFAOYSA-N 1 2 242.229 1.426 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1C1CCCC1 ZINC000651364980 410954329 /nfs/dbraw/zinc/95/43/29/410954329.db2.gz QZRPATMXWVCXFO-NWDGAFQWSA-N 1 2 233.315 1.852 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1C1CCCC1 ZINC000651364980 410954333 /nfs/dbraw/zinc/95/43/33/410954333.db2.gz QZRPATMXWVCXFO-NWDGAFQWSA-N 1 2 233.315 1.852 20 0 BDADLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CCC1 ZINC000651390570 410974633 /nfs/dbraw/zinc/97/46/33/410974633.db2.gz DMGWEFVNXGWFBG-UHFFFAOYSA-N 1 2 247.342 1.773 20 0 BDADLO OCC1(CCNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000651465754 411049657 /nfs/dbraw/zinc/04/96/57/411049657.db2.gz ARXKFPXVPBPDAH-UHFFFAOYSA-N 1 2 247.342 1.741 20 0 BDADLO Cc1nc(N(C)[C@@H](C)CCO)c2c([nH+]1)CCCC2 ZINC000651470862 411051020 /nfs/dbraw/zinc/05/10/20/411051020.db2.gz BINSQNQWVCEOSI-JTQLQIEISA-N 1 2 249.358 1.871 20 0 BDADLO CC(C)c1cnc(NCCn2cc[nH+]c2)s1 ZINC000336737119 167554083 /nfs/dbraw/zinc/55/40/83/167554083.db2.gz JCPFYOMSFCCDQX-UHFFFAOYSA-N 1 2 236.344 1.997 20 0 BDADLO CC1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651429557 411018862 /nfs/dbraw/zinc/01/88/62/411018862.db2.gz HNTSMUGCFATJLB-UHFFFAOYSA-N 1 2 247.342 1.677 20 0 BDADLO CCc1cc(N2C[C@H](O)CC[C@H]2C)nc(C)[nH+]1 ZINC000399308492 411032161 /nfs/dbraw/zinc/03/21/61/411032161.db2.gz ANXHUBVVQWIEEI-BXKDBHETSA-N 1 2 235.331 1.697 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651596778 411127779 /nfs/dbraw/zinc/12/77/79/411127779.db2.gz VFCUVSDSOMBILE-OUAUKWLOSA-N 1 2 244.294 1.750 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCO[C@H](C2CC2)C1 ZINC000493698986 411146440 /nfs/dbraw/zinc/14/64/40/411146440.db2.gz XJYPFWVKSQEBBN-UFFNRZRYSA-N 1 2 247.298 1.060 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](CC)OC[C@H]2C)cn1 ZINC000651932223 411150798 /nfs/dbraw/zinc/15/07/98/411150798.db2.gz OFDDEIOPWRQQHT-DGCLKSJQSA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](CC)OC[C@H]2C)cn1 ZINC000651932223 411150799 /nfs/dbraw/zinc/15/07/99/411150799.db2.gz OFDDEIOPWRQQHT-DGCLKSJQSA-N 1 2 235.331 1.983 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651947210 411158509 /nfs/dbraw/zinc/15/85/09/411158509.db2.gz ZOYYLNNEEIPGLD-QWRGUYRKSA-N 1 2 247.342 1.771 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@H+](Cc2csnn2)C1 ZINC000661626137 411090854 /nfs/dbraw/zinc/09/08/54/411090854.db2.gz AKFPFRBPBWWUPV-NSHDSACASA-N 1 2 239.344 1.275 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@@H+](Cc2csnn2)C1 ZINC000661626137 411090857 /nfs/dbraw/zinc/09/08/57/411090857.db2.gz AKFPFRBPBWWUPV-NSHDSACASA-N 1 2 239.344 1.275 20 0 BDADLO CC(C)c1nc(N2CC[C@H](CO)[C@H]2C)cc[nH+]1 ZINC000362661223 167689984 /nfs/dbraw/zinc/68/99/84/167689984.db2.gz CWPGIRDFZLETTC-GHMZBOCLSA-N 1 2 235.331 1.807 20 0 BDADLO Cc1noc(C[N@@H+](C)Cc2cccc(N)c2)n1 ZINC000655949077 411161380 /nfs/dbraw/zinc/16/13/80/411161380.db2.gz LVXKZAYUCGUDNW-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO Cc1noc(C[N@H+](C)Cc2cccc(N)c2)n1 ZINC000655949077 411161381 /nfs/dbraw/zinc/16/13/81/411161381.db2.gz LVXKZAYUCGUDNW-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000652055997 411100844 /nfs/dbraw/zinc/10/08/44/411100844.db2.gz SSXQJVPSYYJBNV-NQBHXWOUSA-N 1 2 235.331 1.449 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000652055997 411100848 /nfs/dbraw/zinc/10/08/48/411100848.db2.gz SSXQJVPSYYJBNV-NQBHXWOUSA-N 1 2 235.331 1.449 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000047976203 411171110 /nfs/dbraw/zinc/17/11/10/411171110.db2.gz VSJRNTKCQRENGI-IUCAKERBSA-N 1 2 219.288 1.742 20 0 BDADLO C[NH+](C)[C@H]1C[C@@H](CNc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000656094298 411176290 /nfs/dbraw/zinc/17/62/90/411176290.db2.gz OZUYFZYSCBLRLT-AOOOYVTPSA-N 1 2 249.314 1.532 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCCCC1 ZINC000656103568 411178905 /nfs/dbraw/zinc/17/89/05/411178905.db2.gz YGIPDDGSHAJUSG-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO COc1c(C)[nH+]cnc1NCCc1ccccn1 ZINC000656103821 411179045 /nfs/dbraw/zinc/17/90/45/411179045.db2.gz KNCBAYPXACFLBB-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO CCOCCCNc1nc[nH+]c(C)c1OC ZINC000656104858 411179660 /nfs/dbraw/zinc/17/96/60/411179660.db2.gz HVTIPFBFTXMACU-UHFFFAOYSA-N 1 2 225.292 1.632 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCCCO1 ZINC000656111380 411180898 /nfs/dbraw/zinc/18/08/98/411180898.db2.gz AGJWQZYTETVAGM-JTQLQIEISA-N 1 2 237.303 1.775 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC1(C)C ZINC000656111365 411180966 /nfs/dbraw/zinc/18/09/66/411180966.db2.gz ZFZWOOYRTVBDOZ-SSDOTTSWSA-N 1 2 232.291 1.156 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1CCOCC1 ZINC000656113695 411181856 /nfs/dbraw/zinc/18/18/56/411181856.db2.gz WGTWSMXAOGZEQU-UHFFFAOYSA-N 1 2 237.303 1.632 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)C[C@H](C)O ZINC000656128429 411183784 /nfs/dbraw/zinc/18/37/84/411183784.db2.gz RAPMXZJUXNZTSX-WPRPVWTQSA-N 1 2 223.320 1.912 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@H](C)[C@@H](C)C1 ZINC000656132914 411184885 /nfs/dbraw/zinc/18/48/85/411184885.db2.gz WOBIBJSLJBDRAE-IUCAKERBSA-N 1 2 221.304 1.886 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)CCCO ZINC000656144405 411186199 /nfs/dbraw/zinc/18/61/99/411186199.db2.gz BBKAKSCZGLMKDU-QMMMGPOBSA-N 1 2 225.292 1.367 20 0 BDADLO CC[C@@H]1CN(c2nc(C)[nH+]cc2C)C[C@H]1O ZINC000656149961 411187166 /nfs/dbraw/zinc/18/71/66/411187166.db2.gz AMMXPGRXZQCAHJ-GHMZBOCLSA-N 1 2 221.304 1.301 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C)[C@H](F)C1 ZINC000656153414 411188208 /nfs/dbraw/zinc/18/82/08/411188208.db2.gz QVHMGTRNBWQLAI-PSASIEDQSA-N 1 2 239.294 1.978 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCOC[C@@H]1C ZINC000656178928 411193700 /nfs/dbraw/zinc/19/37/00/411193700.db2.gz GAGVIIJKHXYTGZ-WPRPVWTQSA-N 1 2 237.303 1.631 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCSC1 ZINC000656182473 411195945 /nfs/dbraw/zinc/19/59/45/411195945.db2.gz MKUGWQPUHXODIA-VIFPVBQESA-N 1 2 239.344 1.959 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)NC1CC=CC1 ZINC000652447394 411244736 /nfs/dbraw/zinc/24/47/36/411244736.db2.gz FBGSYHPBUHYBHT-JTQLQIEISA-N 1 2 248.330 1.982 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@H]2C[C@H]21 ZINC000656187775 411196544 /nfs/dbraw/zinc/19/65/44/411196544.db2.gz DOHMJEVXGWODQT-VHSXEESVSA-N 1 2 219.288 1.782 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@](C)(F)C1 ZINC000656192597 411198160 /nfs/dbraw/zinc/19/81/60/411198160.db2.gz IAJIIXMJEVAKCL-LLVKDONJSA-N 1 2 240.282 1.396 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@](C)(F)C1 ZINC000656192597 411198161 /nfs/dbraw/zinc/19/81/61/411198161.db2.gz IAJIIXMJEVAKCL-LLVKDONJSA-N 1 2 240.282 1.396 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@@H](C)CCO ZINC000656192689 411198612 /nfs/dbraw/zinc/19/86/12/411198612.db2.gz TWSCDJHWICXFDW-SECBINFHSA-N 1 2 239.319 1.614 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CCCO1 ZINC000061920742 411200245 /nfs/dbraw/zinc/20/02/45/411200245.db2.gz UHECMUCAGVRFGU-JTQLQIEISA-N 1 2 222.288 1.189 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000656420724 411245160 /nfs/dbraw/zinc/24/51/60/411245160.db2.gz JDXIVKUQUJWXLF-UHFFFAOYSA-N 1 2 247.342 1.138 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000656420724 411245162 /nfs/dbraw/zinc/24/51/62/411245162.db2.gz JDXIVKUQUJWXLF-UHFFFAOYSA-N 1 2 247.342 1.138 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)CC(C)(C)O ZINC000656194684 411202257 /nfs/dbraw/zinc/20/22/57/411202257.db2.gz NXOYKJPRTFMTOY-MRVPVSSYSA-N 1 2 239.319 1.755 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC12CC2 ZINC000656201432 411206819 /nfs/dbraw/zinc/20/68/19/411206819.db2.gz FGUJJTZDFOHMNH-ZETCQYMHSA-N 1 2 220.276 1.279 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC12CC2 ZINC000656201432 411206821 /nfs/dbraw/zinc/20/68/21/411206821.db2.gz FGUJJTZDFOHMNH-ZETCQYMHSA-N 1 2 220.276 1.279 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2cncs2)n1 ZINC000653888668 411210064 /nfs/dbraw/zinc/21/00/64/411210064.db2.gz WCXJAVJGHXJUGW-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2cncs2)n1 ZINC000653888668 411210067 /nfs/dbraw/zinc/21/00/67/411210067.db2.gz WCXJAVJGHXJUGW-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[C@@H]3C)cn2c1 ZINC000048747824 411213618 /nfs/dbraw/zinc/21/36/18/411213618.db2.gz SSONDXIDLQAXRT-JQWIXIFHSA-N 1 2 243.310 1.915 20 0 BDADLO CCCc1noc(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653897144 411214038 /nfs/dbraw/zinc/21/40/38/411214038.db2.gz JJTUDPPDAUURBK-SECBINFHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1noc(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000653897144 411214040 /nfs/dbraw/zinc/21/40/40/411214040.db2.gz JJTUDPPDAUURBK-SECBINFHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1noc(CN(C)c2cc[nH+]c(C3CC3)n2)n1 ZINC000656225733 411215240 /nfs/dbraw/zinc/21/52/40/411215240.db2.gz BKJSYBSUCFUIKM-UHFFFAOYSA-N 1 2 245.286 1.682 20 0 BDADLO C[C@H](CC(=O)N1C[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC000652365096 411218207 /nfs/dbraw/zinc/21/82/07/411218207.db2.gz UVDMHQMVLCLLLT-GMTAPVOTSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652365065 411218264 /nfs/dbraw/zinc/21/82/64/411218264.db2.gz SNZGMWIMRZAKMW-WDEREUQCSA-N 1 2 247.342 1.629 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000652365062 411218546 /nfs/dbraw/zinc/21/85/46/411218546.db2.gz SNZGMWIMRZAKMW-GHMZBOCLSA-N 1 2 247.342 1.629 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000656278574 411229385 /nfs/dbraw/zinc/22/93/85/411229385.db2.gz ISDZBXKMCASFJP-QMMMGPOBSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000656278574 411229388 /nfs/dbraw/zinc/22/93/88/411229388.db2.gz ISDZBXKMCASFJP-QMMMGPOBSA-N 1 2 209.293 1.063 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C2CCC2)CC1 ZINC000652868124 411232175 /nfs/dbraw/zinc/23/21/75/411232175.db2.gz QEKCMQOJGIUYEK-UHFFFAOYSA-N 1 2 233.315 1.412 20 0 BDADLO CCC[C@@H](O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652411944 411234126 /nfs/dbraw/zinc/23/41/26/411234126.db2.gz AQIATVPWPYZXJF-SECBINFHSA-N 1 2 239.319 1.312 20 0 BDADLO CCC[C@H](OC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652413394 411234287 /nfs/dbraw/zinc/23/42/87/411234287.db2.gz XEAFNCDOQDZLBL-VIFPVBQESA-N 1 2 239.319 1.576 20 0 BDADLO COc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)on1 ZINC000660150341 411265433 /nfs/dbraw/zinc/26/54/33/411265433.db2.gz ISALKBKZJWXEMT-NSHDSACASA-N 1 2 238.287 1.294 20 0 BDADLO COc1cc(C[N@H+]2CCOC[C@H]2C2CC2)on1 ZINC000660150341 411265435 /nfs/dbraw/zinc/26/54/35/411265435.db2.gz ISALKBKZJWXEMT-NSHDSACASA-N 1 2 238.287 1.294 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)CS1 ZINC000655712459 411266837 /nfs/dbraw/zinc/26/68/37/411266837.db2.gz OAYKJBNRXHGPHB-SCZZXKLOSA-N 1 2 211.334 1.783 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660159698 411270938 /nfs/dbraw/zinc/27/09/38/411270938.db2.gz WXEQCIIMXXXXRY-ZJUUUORDSA-N 1 2 208.309 1.325 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660159698 411270940 /nfs/dbraw/zinc/27/09/40/411270940.db2.gz WXEQCIIMXXXXRY-ZJUUUORDSA-N 1 2 208.309 1.325 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCCC2(C)C)[nH]1 ZINC000658158144 411271020 /nfs/dbraw/zinc/27/10/20/411271020.db2.gz GEXUIXVFZQIHAT-VIFPVBQESA-N 1 2 238.335 1.619 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661712845 411275257 /nfs/dbraw/zinc/27/52/57/411275257.db2.gz ZDIPZDBYZRJOJX-JOYOIKCWSA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661712845 411275260 /nfs/dbraw/zinc/27/52/60/411275260.db2.gz ZDIPZDBYZRJOJX-JOYOIKCWSA-N 1 2 237.303 1.150 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC12CCCC2 ZINC000652569932 411275531 /nfs/dbraw/zinc/27/55/31/411275531.db2.gz JSCVKVYQAAMING-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC(C)(C)F ZINC000656473658 411277291 /nfs/dbraw/zinc/27/72/91/411277291.db2.gz QRKAHUGMYYIXJL-UHFFFAOYSA-N 1 2 237.282 1.913 20 0 BDADLO Cc1nc(NC(C2CC2)C2CC2)nc(N)[nH+]1 ZINC000115200028 411280337 /nfs/dbraw/zinc/28/03/37/411280337.db2.gz KKDFUIHTFZGUMU-UHFFFAOYSA-N 1 2 219.292 1.363 20 0 BDADLO Cc1nc(N)nc(NC(C2CC2)C2CC2)[nH+]1 ZINC000115200028 411280339 /nfs/dbraw/zinc/28/03/39/411280339.db2.gz KKDFUIHTFZGUMU-UHFFFAOYSA-N 1 2 219.292 1.363 20 0 BDADLO CN(CC[NH+]1CCOCC1)c1ccsc1 ZINC000653464059 411281060 /nfs/dbraw/zinc/28/10/60/411281060.db2.gz JXLJVGSAAPHULK-UHFFFAOYSA-N 1 2 226.345 1.517 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716274 411285361 /nfs/dbraw/zinc/28/53/61/411285361.db2.gz XXZDKPCQWBKSJY-DFAYQTQMSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716274 411285364 /nfs/dbraw/zinc/28/53/64/411285364.db2.gz XXZDKPCQWBKSJY-DFAYQTQMSA-N 1 2 249.314 1.465 20 0 BDADLO CC(C)[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660222156 411299629 /nfs/dbraw/zinc/29/96/29/411299629.db2.gz TZBNOVHHZGHUDR-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cn(C)cn2)CCO1 ZINC000660222156 411299631 /nfs/dbraw/zinc/29/96/31/411299631.db2.gz TZBNOVHHZGHUDR-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cn(C)cn2)CCO1 ZINC000660222156 411299633 /nfs/dbraw/zinc/29/96/33/411299633.db2.gz TZBNOVHHZGHUDR-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CC[C@@H](NC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000656554851 411303533 /nfs/dbraw/zinc/30/35/33/411303533.db2.gz QQGYZEZYWPFTGR-LLVKDONJSA-N 1 2 236.319 1.371 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2ccco2)C1=O ZINC000659816964 411303912 /nfs/dbraw/zinc/30/39/12/411303912.db2.gz VVSCNGWEUXDGPW-LLVKDONJSA-N 1 2 222.288 1.332 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000659816964 411303915 /nfs/dbraw/zinc/30/39/15/411303915.db2.gz VVSCNGWEUXDGPW-LLVKDONJSA-N 1 2 222.288 1.332 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660246885 411305767 /nfs/dbraw/zinc/30/57/67/411305767.db2.gz REIFSIFBDYVRAQ-VHSXEESVSA-N 1 2 238.335 1.969 20 0 BDADLO C[C@@H](NC(=O)NCC1=CCCC1)c1[nH+]ccn1C ZINC000661958827 411331145 /nfs/dbraw/zinc/33/11/45/411331145.db2.gz CRMWPCFPZOXLFK-SNVBAGLBSA-N 1 2 248.330 1.891 20 0 BDADLO CCOc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)ccc1O ZINC000656630401 411311874 /nfs/dbraw/zinc/31/18/74/411311874.db2.gz IUQYSOONYZSMNV-YPMHNXCESA-N 1 2 249.310 1.764 20 0 BDADLO CCOc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)ccc1O ZINC000656630401 411311877 /nfs/dbraw/zinc/31/18/77/411311877.db2.gz IUQYSOONYZSMNV-YPMHNXCESA-N 1 2 249.310 1.764 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000659829143 411312419 /nfs/dbraw/zinc/31/24/19/411312419.db2.gz NTEWLSVBUZBJFD-NXEZZACHSA-N 1 2 238.335 1.132 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000659829143 411312423 /nfs/dbraw/zinc/31/24/23/411312423.db2.gz NTEWLSVBUZBJFD-NXEZZACHSA-N 1 2 238.335 1.132 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000659832163 411314173 /nfs/dbraw/zinc/31/41/73/411314173.db2.gz XZNIVOYFCKRMJV-LBPRGKRZSA-N 1 2 249.314 1.392 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000659832163 411314177 /nfs/dbraw/zinc/31/41/77/411314177.db2.gz XZNIVOYFCKRMJV-LBPRGKRZSA-N 1 2 249.314 1.392 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658252051 411314290 /nfs/dbraw/zinc/31/42/90/411314290.db2.gz IDZMHQUKLYUQGI-AXTRIDKLSA-N 1 2 235.331 1.672 20 0 BDADLO CC1(NC(=O)CCn2cc[nH+]c2)CC=CC1 ZINC000654012127 411315175 /nfs/dbraw/zinc/31/51/75/411315175.db2.gz WEBWDSKGSHESHW-UHFFFAOYSA-N 1 2 219.288 1.498 20 0 BDADLO CCc1nc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661965905 411332062 /nfs/dbraw/zinc/33/20/62/411332062.db2.gz BXKDDCFVWHUQDE-IVZWLZJFSA-N 1 2 220.320 1.770 20 0 BDADLO CCc1nc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661965905 411332067 /nfs/dbraw/zinc/33/20/67/411332067.db2.gz BXKDDCFVWHUQDE-IVZWLZJFSA-N 1 2 220.320 1.770 20 0 BDADLO CC[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659838151 411317241 /nfs/dbraw/zinc/31/72/41/411317241.db2.gz METJKMDLFKETNM-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659838151 411317244 /nfs/dbraw/zinc/31/72/44/411317244.db2.gz METJKMDLFKETNM-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO COCC1(CNC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000654025987 411319511 /nfs/dbraw/zinc/31/95/11/411319511.db2.gz XBXVSYXFRVUZTL-UHFFFAOYSA-N 1 2 249.314 1.360 20 0 BDADLO Cc1nc(C[N@@H+]2CCCCC[C@@H]2CO)no1 ZINC000124791619 411321265 /nfs/dbraw/zinc/32/12/65/411321265.db2.gz JQOYDDNYOPLPBE-SNVBAGLBSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCCCC[C@@H]2CO)no1 ZINC000124791619 411321268 /nfs/dbraw/zinc/32/12/68/411321268.db2.gz JQOYDDNYOPLPBE-SNVBAGLBSA-N 1 2 225.292 1.115 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000656446207 411254895 /nfs/dbraw/zinc/25/48/95/411254895.db2.gz HQSHCZNILRCPJA-SECBINFHSA-N 1 2 249.236 1.215 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000656446207 411254898 /nfs/dbraw/zinc/25/48/98/411254898.db2.gz HQSHCZNILRCPJA-SECBINFHSA-N 1 2 249.236 1.215 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000656446208 411255130 /nfs/dbraw/zinc/25/51/30/411255130.db2.gz HQSHCZNILRCPJA-VIFPVBQESA-N 1 2 249.236 1.215 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000656446208 411255132 /nfs/dbraw/zinc/25/51/32/411255132.db2.gz HQSHCZNILRCPJA-VIFPVBQESA-N 1 2 249.236 1.215 20 0 BDADLO C[C@H](CF)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655774572 411257649 /nfs/dbraw/zinc/25/76/49/411257649.db2.gz XKUOOLXNAMYPMX-SECBINFHSA-N 1 2 211.284 1.667 20 0 BDADLO COCC[N@H+](C)Cc1cn(CCC(C)C)nn1 ZINC000656442108 411260512 /nfs/dbraw/zinc/26/05/12/411260512.db2.gz ARNQLFNLPBHUHA-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO COCC[N@@H+](C)Cc1cn(CCC(C)C)nn1 ZINC000656442108 411260515 /nfs/dbraw/zinc/26/05/15/411260515.db2.gz ARNQLFNLPBHUHA-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO C[C@H](CC(=O)N(C)[C@@H](C)CCO)n1cc[nH+]c1 ZINC000652955414 411353596 /nfs/dbraw/zinc/35/35/96/411353596.db2.gz CPNCVDPZRHIDNK-WDEREUQCSA-N 1 2 239.319 1.064 20 0 BDADLO COc1ccc(NCc2cc3n(n2)CCC3)[nH+]c1 ZINC000656770719 411362579 /nfs/dbraw/zinc/36/25/79/411362579.db2.gz NJWCHQWZAFPWJE-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000120512574 411333514 /nfs/dbraw/zinc/33/35/14/411333514.db2.gz FFCVRSHBQJQLRK-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000120512574 411333519 /nfs/dbraw/zinc/33/35/19/411333519.db2.gz FFCVRSHBQJQLRK-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661968590 411337943 /nfs/dbraw/zinc/33/79/43/411337943.db2.gz YWVOZYFIHKWXPE-HGNGGELXSA-N 1 2 207.277 1.781 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661968590 411337945 /nfs/dbraw/zinc/33/79/45/411337945.db2.gz YWVOZYFIHKWXPE-HGNGGELXSA-N 1 2 207.277 1.781 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C)S1 ZINC000069909019 411343893 /nfs/dbraw/zinc/34/38/93/411343893.db2.gz HZGMDGQYTGDOEV-UWVGGRQHSA-N 1 2 238.356 1.904 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccn(C)n1 ZINC000658336164 411344425 /nfs/dbraw/zinc/34/44/25/411344425.db2.gz OOHKECPSAWORMJ-QWRGUYRKSA-N 1 2 247.346 1.956 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367616095 168009246 /nfs/dbraw/zinc/00/92/46/168009246.db2.gz NJBHOHHSQRJZCL-YUSALJHKSA-N 1 2 235.331 1.536 20 0 BDADLO CC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC000267671193 168030351 /nfs/dbraw/zinc/03/03/51/168030351.db2.gz FWCMJXGKZAJNJI-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CC1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC000268176168 168030937 /nfs/dbraw/zinc/03/09/37/168030937.db2.gz KSLZGQCTLBRZKB-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000373834541 168096852 /nfs/dbraw/zinc/09/68/52/168096852.db2.gz FJWKICDXAONNHV-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC=C(C)C2)on1 ZINC000280924575 168098357 /nfs/dbraw/zinc/09/83/57/168098357.db2.gz UIGHODQZBIQZFA-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC=C(C)C2)on1 ZINC000280924575 168098359 /nfs/dbraw/zinc/09/83/59/168098359.db2.gz UIGHODQZBIQZFA-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO CC1=CCC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000280788572 168099631 /nfs/dbraw/zinc/09/96/31/168099631.db2.gz JERIPRPFTXDULQ-JTQLQIEISA-N 1 2 233.319 1.721 20 0 BDADLO CC1=CCC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000280788572 168099633 /nfs/dbraw/zinc/09/96/33/168099633.db2.gz JERIPRPFTXDULQ-JTQLQIEISA-N 1 2 233.319 1.721 20 0 BDADLO CC1=CC[N@H+](Cc2nnc3n2CCCC3)CC1 ZINC000270090214 168113891 /nfs/dbraw/zinc/11/38/91/168113891.db2.gz ALHARYRICNVRGA-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO CC1=CC[N@@H+](Cc2nnc3n2CCCC3)CC1 ZINC000270090214 168113894 /nfs/dbraw/zinc/11/38/94/168113894.db2.gz ALHARYRICNVRGA-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO CC1=CC[N@H+](Cc2nccc(N)n2)CC1 ZINC000270345205 168115142 /nfs/dbraw/zinc/11/51/42/168115142.db2.gz OPSMEIJKSNNKEA-UHFFFAOYSA-N 1 2 204.277 1.211 20 0 BDADLO CC1=CC[N@@H+](Cc2nccc(N)n2)CC1 ZINC000270345205 168115145 /nfs/dbraw/zinc/11/51/45/168115145.db2.gz OPSMEIJKSNNKEA-UHFFFAOYSA-N 1 2 204.277 1.211 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000336292354 168123574 /nfs/dbraw/zinc/12/35/74/168123574.db2.gz WQENXQYEYVQPOQ-MRVPVSSYSA-N 1 2 207.277 1.776 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000336292354 168123576 /nfs/dbraw/zinc/12/35/76/168123576.db2.gz WQENXQYEYVQPOQ-MRVPVSSYSA-N 1 2 207.277 1.776 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cc2csnn2)C1 ZINC000336577772 168123740 /nfs/dbraw/zinc/12/37/40/168123740.db2.gz WRWLFHMQDVAWKM-MRVPVSSYSA-N 1 2 209.318 1.936 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cc2csnn2)C1 ZINC000336577772 168123741 /nfs/dbraw/zinc/12/37/41/168123741.db2.gz WRWLFHMQDVAWKM-MRVPVSSYSA-N 1 2 209.318 1.936 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230587 411381935 /nfs/dbraw/zinc/38/19/35/411381935.db2.gz BVXKXKJZRDJNQP-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230587 411381940 /nfs/dbraw/zinc/38/19/40/411381940.db2.gz BVXKXKJZRDJNQP-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CC1C[NH+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000338953164 168191222 /nfs/dbraw/zinc/19/12/22/168191222.db2.gz RCGRKDGGVBSVGZ-UHFFFAOYSA-N 1 2 243.314 1.173 20 0 BDADLO CCCCNC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000656956858 411388952 /nfs/dbraw/zinc/38/89/52/411388952.db2.gz MMAPQDCNVGQNSJ-UHFFFAOYSA-N 1 2 222.292 1.250 20 0 BDADLO CCC(=O)N1CCC[N@H+](Cc2ccon2)CC1 ZINC000122872848 168216719 /nfs/dbraw/zinc/21/67/19/168216719.db2.gz PDJMKHOMFZONCY-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO CCC(=O)N1CCC[N@@H+](Cc2ccon2)CC1 ZINC000122872848 168216721 /nfs/dbraw/zinc/21/67/21/168216721.db2.gz PDJMKHOMFZONCY-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2CCC(OC)CC2)[nH]1 ZINC000659809677 411460477 /nfs/dbraw/zinc/46/04/77/411460477.db2.gz AJHIOQKBYFZOBJ-VIFPVBQESA-N 1 2 238.335 1.539 20 0 BDADLO CCc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC000653017514 411395881 /nfs/dbraw/zinc/39/58/81/411395881.db2.gz GRJJQQSCROAYBO-VIFPVBQESA-N 1 2 247.302 1.180 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@@H+]1C ZINC000125702560 411396580 /nfs/dbraw/zinc/39/65/80/411396580.db2.gz SRUNNMLXGIPWBM-ZJUUUORDSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@H+]1C ZINC000125702560 411396582 /nfs/dbraw/zinc/39/65/82/411396582.db2.gz SRUNNMLXGIPWBM-ZJUUUORDSA-N 1 2 249.314 1.674 20 0 BDADLO Cn1cc(C[NH2+]Cc2cn(C3CCC3)nn2)cn1 ZINC000657326016 411464527 /nfs/dbraw/zinc/46/45/27/411464527.db2.gz RJPOMVDUWLLSPF-UHFFFAOYSA-N 1 2 246.318 1.026 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)C[C@H](C)S1 ZINC000659961345 411402382 /nfs/dbraw/zinc/40/23/82/411402382.db2.gz QKDSAGDQQLYXNE-DTORHVGOSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)C[C@H](C)S1 ZINC000659961345 411402385 /nfs/dbraw/zinc/40/23/85/411402385.db2.gz QKDSAGDQQLYXNE-DTORHVGOSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)[C@H](C)CO1 ZINC000659822065 411461778 /nfs/dbraw/zinc/46/17/78/411461778.db2.gz LCMKIGIBMVEZTI-OPRDCNLKSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)[C@H](C)CO1 ZINC000659822065 411461779 /nfs/dbraw/zinc/46/17/79/411461779.db2.gz LCMKIGIBMVEZTI-OPRDCNLKSA-N 1 2 235.274 1.520 20 0 BDADLO CCn1nncc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000653500244 411414126 /nfs/dbraw/zinc/41/41/26/411414126.db2.gz KVKAXXFHRCIYOY-UHFFFAOYSA-N 1 2 242.286 1.208 20 0 BDADLO Cc1occc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654580532 411414416 /nfs/dbraw/zinc/41/44/16/411414416.db2.gz XWEGIRYUGYMGTO-SECBINFHSA-N 1 2 247.298 1.806 20 0 BDADLO Cc1occc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654580532 411414419 /nfs/dbraw/zinc/41/44/19/411414419.db2.gz XWEGIRYUGYMGTO-SECBINFHSA-N 1 2 247.298 1.806 20 0 BDADLO COCc1ccc(C[N@@H+]2CCO[C@H](CF)C2)o1 ZINC000414465924 411422681 /nfs/dbraw/zinc/42/26/81/411422681.db2.gz AQVNRHYRHJBWST-GFCCVEGCSA-N 1 2 243.278 1.596 20 0 BDADLO COCc1ccc(C[N@H+]2CCO[C@H](CF)C2)o1 ZINC000414465924 411422683 /nfs/dbraw/zinc/42/26/83/411422683.db2.gz AQVNRHYRHJBWST-GFCCVEGCSA-N 1 2 243.278 1.596 20 0 BDADLO COCc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)o1 ZINC000414465925 411423089 /nfs/dbraw/zinc/42/30/89/411423089.db2.gz AQVNRHYRHJBWST-LBPRGKRZSA-N 1 2 243.278 1.596 20 0 BDADLO COCc1ccc(C[N@H+]2CCO[C@@H](CF)C2)o1 ZINC000414465925 411423092 /nfs/dbraw/zinc/42/30/92/411423092.db2.gz AQVNRHYRHJBWST-LBPRGKRZSA-N 1 2 243.278 1.596 20 0 BDADLO CC(C)n1cnc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000652726708 411427094 /nfs/dbraw/zinc/42/70/94/411427094.db2.gz JQZAAJPFABPOIO-UHFFFAOYSA-N 1 2 248.290 1.153 20 0 BDADLO CC(C)n1cnc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000652726708 411427098 /nfs/dbraw/zinc/42/70/98/411427098.db2.gz JQZAAJPFABPOIO-UHFFFAOYSA-N 1 2 248.290 1.153 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC000657317657 411462971 /nfs/dbraw/zinc/46/29/71/411462971.db2.gz FAYJMSPYAJNTIO-UHFFFAOYSA-N 1 2 242.326 1.823 20 0 BDADLO Cn1cc(Cl)c(C[NH2+]C2CSC2)n1 ZINC000306976509 411463049 /nfs/dbraw/zinc/46/30/49/411463049.db2.gz NSGGDLHZJBHWBU-UHFFFAOYSA-N 1 2 217.725 1.279 20 0 BDADLO c1cc(C[NH2+]Cc2cc3n(n2)CCCC3)n[nH]1 ZINC000655733919 411442288 /nfs/dbraw/zinc/44/22/88/411442288.db2.gz VEYWVHDJLBZZBX-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC(C)(C)n1ccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000654773055 411442635 /nfs/dbraw/zinc/44/26/35/411442635.db2.gz MXDVKPMIXJUSDW-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)[nH]1 ZINC000657295025 411454784 /nfs/dbraw/zinc/45/47/84/411454784.db2.gz SQYKVWFSKGYNGZ-KOLCDFICSA-N 1 2 207.277 1.021 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)[nH]1 ZINC000657295025 411454785 /nfs/dbraw/zinc/45/47/85/411454785.db2.gz SQYKVWFSKGYNGZ-KOLCDFICSA-N 1 2 207.277 1.021 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(C3CC3)cnn2C)no1 ZINC000657329031 411467433 /nfs/dbraw/zinc/46/74/33/411467433.db2.gz HMTPFOFSVBLTBL-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cn(C)cn1 ZINC000659840385 411472015 /nfs/dbraw/zinc/47/20/15/411472015.db2.gz FDMUZIQOZRMVOO-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cn(C)cn1 ZINC000659840385 411472017 /nfs/dbraw/zinc/47/20/17/411472017.db2.gz FDMUZIQOZRMVOO-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000293982642 411472653 /nfs/dbraw/zinc/47/26/53/411472653.db2.gz KEPCDMUSZDVDHK-PORFMDCZSA-N 1 2 237.303 1.089 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](C)c2cn(C)nc2C)n1 ZINC000657347640 411475268 /nfs/dbraw/zinc/47/52/68/411475268.db2.gz VHUCJDKFCPCULM-SECBINFHSA-N 1 2 233.319 1.611 20 0 BDADLO CCc1cc(CNCc2[nH]cc(C)[nH+]2)on1 ZINC000657373733 411482690 /nfs/dbraw/zinc/48/26/90/411482690.db2.gz AQDHLPYZLNXRLA-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C ZINC000655066329 411489174 /nfs/dbraw/zinc/48/91/74/411489174.db2.gz GFCASMWSQQGQKZ-KHQFGBGNSA-N 1 2 207.277 1.113 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C ZINC000655066329 411489177 /nfs/dbraw/zinc/48/91/77/411489177.db2.gz GFCASMWSQQGQKZ-KHQFGBGNSA-N 1 2 207.277 1.113 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000655080321 411491193 /nfs/dbraw/zinc/49/11/93/411491193.db2.gz DBPNWVNTHCIQKD-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000655080320 411491613 /nfs/dbraw/zinc/49/16/13/411491613.db2.gz DBPNWVNTHCIQKD-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CCCCN1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000655553274 411493291 /nfs/dbraw/zinc/49/32/91/411493291.db2.gz GWNDZPZNRUSMCY-LLVKDONJSA-N 1 2 248.330 1.734 20 0 BDADLO CC1(C)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659928813 411501798 /nfs/dbraw/zinc/50/17/98/411501798.db2.gz YPIQNOLCNQELMC-UHFFFAOYSA-N 1 2 208.309 1.469 20 0 BDADLO CC1(C)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659928813 411501800 /nfs/dbraw/zinc/50/18/00/411501800.db2.gz YPIQNOLCNQELMC-UHFFFAOYSA-N 1 2 208.309 1.469 20 0 BDADLO CCc1nnc([C@@H](C)NCc2c[nH+]c(C)n2C)[nH]1 ZINC000657420052 411502381 /nfs/dbraw/zinc/50/23/81/411502381.db2.gz JTQPDXIRCJHQJT-MRVPVSSYSA-N 1 2 248.334 1.260 20 0 BDADLO CC[C@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000659932977 411503684 /nfs/dbraw/zinc/50/36/84/411503684.db2.gz SJYNRGFJCJSGAX-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cn(C)cn1 ZINC000659932977 411503688 /nfs/dbraw/zinc/50/36/88/411503688.db2.gz SJYNRGFJCJSGAX-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cn(C)cn1 ZINC000659932977 411503689 /nfs/dbraw/zinc/50/36/89/411503689.db2.gz SJYNRGFJCJSGAX-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342133350 411504465 /nfs/dbraw/zinc/50/44/65/411504465.db2.gz DMOJHJTXRGGNNA-MXWKQRLJSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342133350 411504468 /nfs/dbraw/zinc/50/44/68/411504468.db2.gz DMOJHJTXRGGNNA-MXWKQRLJSA-N 1 2 240.347 1.153 20 0 BDADLO COC[C@@H](C)n1ccc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000657441345 411508981 /nfs/dbraw/zinc/50/89/81/411508981.db2.gz VIDFLIQERGYGOL-SNVBAGLBSA-N 1 2 249.318 1.734 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ncn(C)n2)CO1 ZINC000657443270 411511238 /nfs/dbraw/zinc/51/12/38/411511238.db2.gz IRUXXWFKBYPLET-LPEHRKFASA-N 1 2 224.308 1.033 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657471977 411523167 /nfs/dbraw/zinc/52/31/67/411523167.db2.gz KXFJSZNDBPXPSV-UHFFFAOYSA-N 1 2 249.343 1.279 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2occc2C)n1 ZINC000657471880 411523467 /nfs/dbraw/zinc/52/34/67/411523467.db2.gz IZAVGKMAVHMXHZ-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO CC1(C[NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)CC1 ZINC000655819730 411525765 /nfs/dbraw/zinc/52/57/65/411525765.db2.gz SFUMVYYRYZZJKZ-SECBINFHSA-N 1 2 236.319 1.546 20 0 BDADLO C[C@@H]1OCC[N@H+](CCO[C@H]2CC2(F)F)[C@H]1C ZINC000660010728 411527752 /nfs/dbraw/zinc/52/77/52/411527752.db2.gz LLUCAZUKZUNWLJ-GUBZILKMSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1OCC[N@@H+](CCO[C@H]2CC2(F)F)[C@H]1C ZINC000660010728 411527754 /nfs/dbraw/zinc/52/77/54/411527754.db2.gz LLUCAZUKZUNWLJ-GUBZILKMSA-N 1 2 235.274 1.520 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000660011453 411527877 /nfs/dbraw/zinc/52/78/77/411527877.db2.gz OEJMZLAECJZODT-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000660011453 411527878 /nfs/dbraw/zinc/52/78/78/411527878.db2.gz OEJMZLAECJZODT-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO CCc1nc([C@H](C)N2CC[NH+](CC)CC2)n[nH]1 ZINC000659826955 411464970 /nfs/dbraw/zinc/46/49/70/411464970.db2.gz LZMMQAGDCMTHKX-JTQLQIEISA-N 1 2 237.351 1.066 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000120943124 170001873 /nfs/dbraw/zinc/00/18/73/170001873.db2.gz MYMGXVZKDQSTRB-JTQLQIEISA-N 1 2 223.272 1.573 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000120943124 170001875 /nfs/dbraw/zinc/00/18/75/170001875.db2.gz MYMGXVZKDQSTRB-JTQLQIEISA-N 1 2 223.272 1.573 20 0 BDADLO CC(C)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654951224 411466433 /nfs/dbraw/zinc/46/64/33/411466433.db2.gz NTMBZJLRAMNZJJ-SNVBAGLBSA-N 1 2 235.331 1.703 20 0 BDADLO CC(C)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654951224 411466435 /nfs/dbraw/zinc/46/64/35/411466435.db2.gz NTMBZJLRAMNZJJ-SNVBAGLBSA-N 1 2 235.331 1.703 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2ccncc2C)[C@@H](C)C1 ZINC000339053850 170034593 /nfs/dbraw/zinc/03/45/93/170034593.db2.gz MNVQLOIURHXAFD-ZFWWWQNUSA-N 1 2 247.386 1.862 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000131356178 170055531 /nfs/dbraw/zinc/05/55/31/170055531.db2.gz XPPZVZCVSFYXLQ-UHFFFAOYSA-N 1 2 243.738 1.246 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000131356178 170055532 /nfs/dbraw/zinc/05/55/32/170055532.db2.gz XPPZVZCVSFYXLQ-UHFFFAOYSA-N 1 2 243.738 1.246 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cncs1 ZINC000119295320 170057059 /nfs/dbraw/zinc/05/70/59/170057059.db2.gz GZDUGGYKUOCHNU-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cncs1 ZINC000119295320 170057060 /nfs/dbraw/zinc/05/70/60/170057060.db2.gz GZDUGGYKUOCHNU-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376425918 170073610 /nfs/dbraw/zinc/07/36/10/170073610.db2.gz JOYDCJBEHDLYSE-SNVBAGLBSA-N 1 2 236.319 1.329 20 0 BDADLO CCCCOCC[N@H+](C)Cc1ncc[nH]1 ZINC000660143912 411544392 /nfs/dbraw/zinc/54/43/92/411544392.db2.gz INJVDGGUTGOPLV-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1ncc[nH]1 ZINC000660143912 411544394 /nfs/dbraw/zinc/54/43/94/411544394.db2.gz INJVDGGUTGOPLV-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000036915650 170095037 /nfs/dbraw/zinc/09/50/37/170095037.db2.gz MZFQVOGFSNCQLV-YUMQZZPRSA-N 1 2 241.360 1.627 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC000660169353 411551228 /nfs/dbraw/zinc/55/12/28/411551228.db2.gz MEXZZRQMGGSPOF-SECBINFHSA-N 1 2 226.324 1.396 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC000660169353 411551229 /nfs/dbraw/zinc/55/12/29/411551229.db2.gz MEXZZRQMGGSPOF-SECBINFHSA-N 1 2 226.324 1.396 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cccn2C)c2ncnn21 ZINC000657567594 411552833 /nfs/dbraw/zinc/55/28/33/411552833.db2.gz CJYOKAKZAFOIMM-GXSJLCMTSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)c2ncnn21 ZINC000657567530 411553155 /nfs/dbraw/zinc/55/31/55/411553155.db2.gz SNCURAGJUYERCQ-SKDRFNHKSA-N 1 2 244.298 1.779 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccco2)c2ncnn21 ZINC000657568498 411553284 /nfs/dbraw/zinc/55/32/84/411553284.db2.gz JVOLWMPVVSSZKJ-SCZZXKLOSA-N 1 2 218.260 1.667 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657569378 411553658 /nfs/dbraw/zinc/55/36/58/411553658.db2.gz MJASMUDBBXGQCA-ZYHUDNBSSA-N 1 2 243.314 1.777 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCCCO2)n1 ZINC000051860485 170132039 /nfs/dbraw/zinc/13/20/39/170132039.db2.gz PTWFDGCWMUVOPM-MRVPVSSYSA-N 1 2 211.265 1.421 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)on1 ZINC000660221677 411555978 /nfs/dbraw/zinc/55/59/78/411555978.db2.gz QJSSZASREYLQNP-WCBMZHEXSA-N 1 2 228.267 1.863 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)on1 ZINC000660221677 411555980 /nfs/dbraw/zinc/55/59/80/411555980.db2.gz QJSSZASREYLQNP-WCBMZHEXSA-N 1 2 228.267 1.863 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)nc(C)n1 ZINC000660149196 411546017 /nfs/dbraw/zinc/54/60/17/411546017.db2.gz BMFNCMUIVYKEQM-CQSZACIVSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)nc(C)n1 ZINC000660149196 411546018 /nfs/dbraw/zinc/54/60/18/411546018.db2.gz BMFNCMUIVYKEQM-CQSZACIVSA-N 1 2 247.342 1.704 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H]2CCCO2)CCCC1 ZINC000037957511 170190353 /nfs/dbraw/zinc/19/03/53/170190353.db2.gz QFXPJTHHQWQTAG-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000377493053 170205746 /nfs/dbraw/zinc/20/57/46/170205746.db2.gz FWYCLRAXEFRECA-VIFPVBQESA-N 1 2 239.275 1.160 20 0 BDADLO CCOC(=O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000377493053 170205747 /nfs/dbraw/zinc/20/57/47/170205747.db2.gz FWYCLRAXEFRECA-VIFPVBQESA-N 1 2 239.275 1.160 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](O)CCC(C)C ZINC000361267114 170215025 /nfs/dbraw/zinc/21/50/25/170215025.db2.gz QNDHLFDXJSMKJF-NSHDSACASA-N 1 2 231.336 1.278 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)CCC(C)C ZINC000361267114 170215026 /nfs/dbraw/zinc/21/50/26/170215026.db2.gz QNDHLFDXJSMKJF-NSHDSACASA-N 1 2 231.336 1.278 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ccncc1 ZINC000048260268 170215213 /nfs/dbraw/zinc/21/52/13/170215213.db2.gz RCDOOEYUFHBPAH-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ccncc1 ZINC000048260268 170215215 /nfs/dbraw/zinc/21/52/15/170215215.db2.gz RCDOOEYUFHBPAH-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000042223913 170215420 /nfs/dbraw/zinc/21/54/20/170215420.db2.gz QRSUXSNYBUHWTC-UHFFFAOYSA-N 1 2 225.263 1.821 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000042223913 170215421 /nfs/dbraw/zinc/21/54/21/170215421.db2.gz QRSUXSNYBUHWTC-UHFFFAOYSA-N 1 2 225.263 1.821 20 0 BDADLO CCOC(=O)C[N@H+](CCc1ccncc1)C1CC1 ZINC000050063773 170217567 /nfs/dbraw/zinc/21/75/67/170217567.db2.gz UBMFXSCLPFVPDF-UHFFFAOYSA-N 1 2 248.326 1.652 20 0 BDADLO CCOC(=O)C[N@@H+](CCc1ccncc1)C1CC1 ZINC000050063773 170217569 /nfs/dbraw/zinc/21/75/69/170217569.db2.gz UBMFXSCLPFVPDF-UHFFFAOYSA-N 1 2 248.326 1.652 20 0 BDADLO CCOC(=O)C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000375731202 170225184 /nfs/dbraw/zinc/22/51/84/170225184.db2.gz NFOXILCJRZKQPZ-QWHCGFSZSA-N 1 2 241.331 1.344 20 0 BDADLO CCOC(=O)C[NH2+]CC1(c2ccccn2)CCC1 ZINC000377706629 170225669 /nfs/dbraw/zinc/22/56/69/170225669.db2.gz VCDOAQFVVIZCPH-UHFFFAOYSA-N 1 2 248.326 1.656 20 0 BDADLO OCC=CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000657592621 411556722 /nfs/dbraw/zinc/55/67/22/411556722.db2.gz LEKOWVUDOQCXFC-ARJAWSKDSA-N 1 2 217.272 1.201 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1cnn(C)c1 ZINC000077901482 170249978 /nfs/dbraw/zinc/24/99/78/170249978.db2.gz CMFQFMQOFJFBTB-LLVKDONJSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1cnn(C)c1 ZINC000077901482 170249979 /nfs/dbraw/zinc/24/99/79/170249979.db2.gz CMFQFMQOFJFBTB-LLVKDONJSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)[C@H](C)N(Cc1c[nH+]c[nH]1)C1CC1 ZINC000191714319 170266676 /nfs/dbraw/zinc/26/66/76/170266676.db2.gz LSMIPIDRQCNUEX-VIFPVBQESA-N 1 2 237.303 1.326 20 0 BDADLO CCOC(=O)[C@H](C)N(Cc1c[nH]c[nH+]1)C1CC1 ZINC000191714319 170266677 /nfs/dbraw/zinc/26/66/77/170266677.db2.gz LSMIPIDRQCNUEX-VIFPVBQESA-N 1 2 237.303 1.326 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC000338284590 170269612 /nfs/dbraw/zinc/26/96/12/170269612.db2.gz CLFDAWRQUUAJRN-BBBLOLIVSA-N 1 2 245.319 1.115 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000050064375 170279555 /nfs/dbraw/zinc/27/95/55/170279555.db2.gz PKMMQIGOILWHBB-OTQAPUNGSA-N 1 2 217.696 1.766 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1C/C=C/Cl ZINC000050064375 170279556 /nfs/dbraw/zinc/27/95/56/170279556.db2.gz PKMMQIGOILWHBB-OTQAPUNGSA-N 1 2 217.696 1.766 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000094687836 170281647 /nfs/dbraw/zinc/28/16/47/170281647.db2.gz JHPLAPDJTVLPMN-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000094687836 170281649 /nfs/dbraw/zinc/28/16/49/170281649.db2.gz JHPLAPDJTVLPMN-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619432 411565308 /nfs/dbraw/zinc/56/53/08/411565308.db2.gz WRASCOXWOGGKLK-SECBINFHSA-N 1 2 231.246 1.232 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660340651 411571670 /nfs/dbraw/zinc/57/16/70/411571670.db2.gz MULOQMBMBBLXDW-IUCAKERBSA-N 1 2 222.292 1.207 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660340651 411571671 /nfs/dbraw/zinc/57/16/71/411571671.db2.gz MULOQMBMBBLXDW-IUCAKERBSA-N 1 2 222.292 1.207 20 0 BDADLO CCOC1(C[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000292991089 170318831 /nfs/dbraw/zinc/31/88/31/170318831.db2.gz NZWNFUIUWLXSKF-UHFFFAOYSA-N 1 2 223.320 1.849 20 0 BDADLO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000657668215 411573632 /nfs/dbraw/zinc/57/36/32/411573632.db2.gz YARXNBSBSMYUGX-MWLCHTKSSA-N 1 2 209.293 1.457 20 0 BDADLO CCOC1CC([N@H+](C)Cc2cocn2)C1 ZINC000290659687 170328723 /nfs/dbraw/zinc/32/87/23/170328723.db2.gz ZNWOSHBSCIDPFO-UHFFFAOYSA-N 1 2 210.277 1.674 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2cocn2)C1 ZINC000290659687 170328724 /nfs/dbraw/zinc/32/87/24/170328724.db2.gz ZNWOSHBSCIDPFO-UHFFFAOYSA-N 1 2 210.277 1.674 20 0 BDADLO CCOC1CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000297867193 170334127 /nfs/dbraw/zinc/33/41/27/170334127.db2.gz UQYFBKDXUNGYAX-UHFFFAOYSA-N 1 2 235.287 1.643 20 0 BDADLO CCOC1CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000296674126 170334735 /nfs/dbraw/zinc/33/47/35/170334735.db2.gz ROFJAJWKVUGKOS-UHFFFAOYSA-N 1 2 249.314 1.951 20 0 BDADLO CCOC1C[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000297547738 170336713 /nfs/dbraw/zinc/33/67/13/170336713.db2.gz ZHBFMGLSUBTLIB-UHFFFAOYSA-N 1 2 249.310 1.694 20 0 BDADLO CCOCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276611104 170347017 /nfs/dbraw/zinc/34/70/17/170347017.db2.gz MVMMYHRQBFMPSL-JTQLQIEISA-N 1 2 225.292 1.260 20 0 BDADLO CCOCC(C)(C)[NH2+]CC(=O)OC(C)(C)C ZINC000339369967 170354221 /nfs/dbraw/zinc/35/42/21/170354221.db2.gz LURXJYKVAGQMLU-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO CCOCCN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373007612 170390641 /nfs/dbraw/zinc/39/06/41/170390641.db2.gz UXUHDGOQXKIJRD-UHFFFAOYSA-N 1 2 237.347 1.688 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000338283685 170391710 /nfs/dbraw/zinc/39/17/10/170391710.db2.gz RSDNWKPBVSXBQR-QMMMGPOBSA-N 1 2 229.349 1.876 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000338283685 170391712 /nfs/dbraw/zinc/39/17/12/170391712.db2.gz RSDNWKPBVSXBQR-QMMMGPOBSA-N 1 2 229.349 1.876 20 0 BDADLO CCOCC[N@H+](CC)Cc1c(Cl)cnn1C ZINC000189807957 170394185 /nfs/dbraw/zinc/39/41/85/170394185.db2.gz KHJQLJFPEGRLHG-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CCOCC[N@@H+](CC)Cc1c(Cl)cnn1C ZINC000189807957 170394187 /nfs/dbraw/zinc/39/41/87/170394187.db2.gz KHJQLJFPEGRLHG-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CCOCC[N@H+](CC)Cc1cc(C)on1 ZINC000107681017 170394478 /nfs/dbraw/zinc/39/44/78/170394478.db2.gz RNZUCJUBCIOORB-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cc(C)on1 ZINC000107681017 170394480 /nfs/dbraw/zinc/39/44/80/170394480.db2.gz RNZUCJUBCIOORB-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO C[C@@H]([NH2+]Cc1cncs1)c1ccn(C)n1 ZINC000660780912 411629109 /nfs/dbraw/zinc/62/91/09/411629109.db2.gz PNCUGKPMRFUTEM-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000663366438 411639435 /nfs/dbraw/zinc/63/94/35/411639435.db2.gz JGLDVOXOPDFGQN-MRVPVSSYSA-N 1 2 233.233 1.888 20 0 BDADLO COC[C@@H](C)n1ccc(NCc2[nH+]ccn2C)n1 ZINC000495195223 411640000 /nfs/dbraw/zinc/64/00/00/411640000.db2.gz UZDZGFATVRSSSB-SNVBAGLBSA-N 1 2 249.318 1.436 20 0 BDADLO COC[C@@](C)(O)CNc1cc[nH+]c(C(C)C)n1 ZINC000522116340 411645089 /nfs/dbraw/zinc/64/50/89/411645089.db2.gz KOGWDBDNWIYFAW-LBPRGKRZSA-N 1 2 239.319 1.409 20 0 BDADLO O[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC(F)(F)C1 ZINC000660393593 411578429 /nfs/dbraw/zinc/57/84/29/411578429.db2.gz ZLCXMOJMEDMBLI-VLEAKVRGSA-N 1 2 231.286 1.734 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC(F)(F)C1 ZINC000660393593 411578431 /nfs/dbraw/zinc/57/84/31/411578431.db2.gz ZLCXMOJMEDMBLI-VLEAKVRGSA-N 1 2 231.286 1.734 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cn(C)cn1 ZINC000660406381 411580210 /nfs/dbraw/zinc/58/02/10/411580210.db2.gz CYTTWWDGNDBEKA-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cn(C)cn1 ZINC000660406381 411580212 /nfs/dbraw/zinc/58/02/12/411580212.db2.gz CYTTWWDGNDBEKA-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)co1 ZINC000660445772 411585618 /nfs/dbraw/zinc/58/56/18/411585618.db2.gz NVNOJDUQQBBSBV-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)co1 ZINC000660445772 411585620 /nfs/dbraw/zinc/58/56/20/411585620.db2.gz NVNOJDUQQBBSBV-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)cn2)C[C@H](C2CC2)O1 ZINC000660447721 411586512 /nfs/dbraw/zinc/58/65/12/411586512.db2.gz ZCYNKNRJQOSHDO-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)cn2)C[C@H](C2CC2)O1 ZINC000660447721 411586514 /nfs/dbraw/zinc/58/65/14/411586514.db2.gz ZCYNKNRJQOSHDO-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)C ZINC000660454446 411586878 /nfs/dbraw/zinc/58/68/78/411586878.db2.gz YPHXQXWAGNDMII-UHFFFAOYSA-N 1 2 224.308 1.597 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)C ZINC000660454446 411586879 /nfs/dbraw/zinc/58/68/79/411586879.db2.gz YPHXQXWAGNDMII-UHFFFAOYSA-N 1 2 224.308 1.597 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)on1 ZINC000660488520 411592897 /nfs/dbraw/zinc/59/28/97/411592897.db2.gz GQBLWIMYOVRGCI-ZETCQYMHSA-N 1 2 248.229 1.497 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)on1 ZINC000660488520 411592899 /nfs/dbraw/zinc/59/28/99/411592899.db2.gz GQBLWIMYOVRGCI-ZETCQYMHSA-N 1 2 248.229 1.497 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOCC12CC2 ZINC000660489579 411593438 /nfs/dbraw/zinc/59/34/38/411593438.db2.gz PUKFDUPAGZRUDX-UHFFFAOYSA-N 1 2 222.288 1.602 20 0 BDADLO CCc1nocc1C[N@H+]1CCOCC12CC2 ZINC000660489579 411593440 /nfs/dbraw/zinc/59/34/40/411593440.db2.gz PUKFDUPAGZRUDX-UHFFFAOYSA-N 1 2 222.288 1.602 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCOC2)c(C)o1 ZINC000660532165 411596647 /nfs/dbraw/zinc/59/66/47/411596647.db2.gz CRVJNSFQXLNWLL-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCOC2)c(C)o1 ZINC000660532165 411596649 /nfs/dbraw/zinc/59/66/49/411596649.db2.gz CRVJNSFQXLNWLL-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H](C)c2nccn2C)cn1 ZINC000657793769 411599142 /nfs/dbraw/zinc/59/91/42/411599142.db2.gz KZEFZXLDYWIWCX-JTQLQIEISA-N 1 2 231.303 1.568 20 0 BDADLO FC1(F)COCC[N@H+](CC2CC=CC2)C1 ZINC000660561364 411599991 /nfs/dbraw/zinc/59/99/91/411599991.db2.gz VIRRJIYEKJLMHF-UHFFFAOYSA-N 1 2 217.259 1.920 20 0 BDADLO FC1(F)COCC[N@@H+](CC2CC=CC2)C1 ZINC000660561364 411599992 /nfs/dbraw/zinc/59/99/92/411599992.db2.gz VIRRJIYEKJLMHF-UHFFFAOYSA-N 1 2 217.259 1.920 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C)C2)C1=O ZINC000660566100 411601219 /nfs/dbraw/zinc/60/12/19/411601219.db2.gz MTYBPRUWECSRRN-DTWKUNHWSA-N 1 2 248.273 1.126 20 0 BDADLO CCN1OC[C@@H]([N@H+]2CCC(F)(F)[C@@H](C)C2)C1=O ZINC000660566100 411601221 /nfs/dbraw/zinc/60/12/21/411601221.db2.gz MTYBPRUWECSRRN-DTWKUNHWSA-N 1 2 248.273 1.126 20 0 BDADLO O[C@H](CN1CCn2c[nH+]cc2C1)CC(F)(F)F ZINC000660582618 411603135 /nfs/dbraw/zinc/60/31/35/411603135.db2.gz XBUCBUBOAJPGMD-VIFPVBQESA-N 1 2 249.236 1.012 20 0 BDADLO Cc1cnc([C@H](C)N2CCn3c[nH+]cc3C2)cn1 ZINC000660582964 411604192 /nfs/dbraw/zinc/60/41/92/411604192.db2.gz CJCUJGPBWGIKJK-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO CCC[C@@H](C)[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660728357 411619416 /nfs/dbraw/zinc/61/94/16/411619416.db2.gz QPRDDHHTMNTWSQ-SECBINFHSA-N 1 2 219.350 1.294 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2CC=CC2)C1 ZINC000660731821 411619607 /nfs/dbraw/zinc/61/96/07/411619607.db2.gz ZEKUDKFTVKUCNB-UHFFFAOYSA-N 1 2 229.345 1.072 20 0 BDADLO O[C@@H]([C@H]1CC[N@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741802 411620157 /nfs/dbraw/zinc/62/01/57/411620157.db2.gz SJDYZIMHEOGMQD-CBAPKCEASA-N 1 2 249.236 1.155 20 0 BDADLO O[C@@H]([C@H]1CC[N@@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741802 411620158 /nfs/dbraw/zinc/62/01/58/411620158.db2.gz SJDYZIMHEOGMQD-CBAPKCEASA-N 1 2 249.236 1.155 20 0 BDADLO CCO[C@@H]1COCC[C@H]1Nc1cccc[nH+]1 ZINC000336770552 170481700 /nfs/dbraw/zinc/48/17/00/170481700.db2.gz TWYNSURWPHBONY-GHMZBOCLSA-N 1 2 222.288 1.688 20 0 BDADLO Cc1cc(NC[C@@H]2COCCO2)nc(C2CC2)[nH+]1 ZINC000604758758 411649835 /nfs/dbraw/zinc/64/98/35/411649835.db2.gz UHTLLNCECTZQIG-LLVKDONJSA-N 1 2 249.314 1.490 20 0 BDADLO CC(C)C[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842459 411652466 /nfs/dbraw/zinc/65/24/66/411652466.db2.gz PAVKBEBYMUHRDV-MRVPVSSYSA-N 1 2 213.281 1.642 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842459 411652471 /nfs/dbraw/zinc/65/24/71/411652471.db2.gz PAVKBEBYMUHRDV-MRVPVSSYSA-N 1 2 213.281 1.642 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842681 411652621 /nfs/dbraw/zinc/65/26/21/411652621.db2.gz PSCNRFVTTNTOCO-SECBINFHSA-N 1 2 243.307 1.004 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842681 411652625 /nfs/dbraw/zinc/65/26/25/411652625.db2.gz PSCNRFVTTNTOCO-SECBINFHSA-N 1 2 243.307 1.004 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843486 411654424 /nfs/dbraw/zinc/65/44/24/411654424.db2.gz ZFMADTSJPSGDLS-BDAKNGLRSA-N 1 2 241.291 1.022 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843486 411654428 /nfs/dbraw/zinc/65/44/28/411654428.db2.gz ZFMADTSJPSGDLS-BDAKNGLRSA-N 1 2 241.291 1.022 20 0 BDADLO COC[C@](C)(O)CNc1cc[nH+]c(C(C)C)n1 ZINC000522116339 411654983 /nfs/dbraw/zinc/65/49/83/411654983.db2.gz KOGWDBDNWIYFAW-GFCCVEGCSA-N 1 2 239.319 1.409 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660860672 411658756 /nfs/dbraw/zinc/65/87/56/411658756.db2.gz CMNZELABCNBPPH-JTQLQIEISA-N 1 2 238.335 1.843 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660860672 411658760 /nfs/dbraw/zinc/65/87/60/411658760.db2.gz CMNZELABCNBPPH-JTQLQIEISA-N 1 2 238.335 1.843 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@H]2C2CCC2)co1 ZINC000660905109 411667904 /nfs/dbraw/zinc/66/79/04/411667904.db2.gz QHVTXRJDOACGNO-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@H]2C2CCC2)co1 ZINC000660905109 411667905 /nfs/dbraw/zinc/66/79/05/411667905.db2.gz QHVTXRJDOACGNO-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCC1CCC1 ZINC000660924314 411675349 /nfs/dbraw/zinc/67/53/49/411675349.db2.gz ZMGRRAFLUUFSIH-AWEZNQCLSA-N 1 2 249.358 1.984 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CCC1CCC1 ZINC000660924314 411675354 /nfs/dbraw/zinc/67/53/54/411675354.db2.gz ZMGRRAFLUUFSIH-AWEZNQCLSA-N 1 2 249.358 1.984 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932523 411682623 /nfs/dbraw/zinc/68/26/23/411682623.db2.gz ZCHCRWJVNBZHSM-QWRGUYRKSA-N 1 2 220.320 1.672 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932523 411682629 /nfs/dbraw/zinc/68/26/29/411682629.db2.gz ZCHCRWJVNBZHSM-QWRGUYRKSA-N 1 2 220.320 1.672 20 0 BDADLO CC(C)=CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661060839 411694274 /nfs/dbraw/zinc/69/42/74/411694274.db2.gz BDHKUCGKKDOPRE-JTQLQIEISA-N 1 2 236.319 1.747 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCC(C)(C)O1 ZINC000661088212 411699778 /nfs/dbraw/zinc/69/97/78/411699778.db2.gz GZOCDTUCWJTDMZ-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCC(C)(C)O1 ZINC000661088212 411699782 /nfs/dbraw/zinc/69/97/82/411699782.db2.gz GZOCDTUCWJTDMZ-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CCC(C)(C)O1 ZINC000661088212 411699786 /nfs/dbraw/zinc/69/97/86/411699786.db2.gz GZOCDTUCWJTDMZ-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CCC(C)(C)O1 ZINC000661088212 411699788 /nfs/dbraw/zinc/69/97/88/411699788.db2.gz GZOCDTUCWJTDMZ-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CC[C@H]1C)c1[nH+]ccn1C ZINC000661179206 411730441 /nfs/dbraw/zinc/73/04/41/411730441.db2.gz JRPBRWXNBDOPEY-KXUCPTDWSA-N 1 2 236.319 1.579 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cc[nH]n1)CC2 ZINC000624763122 411730628 /nfs/dbraw/zinc/73/06/28/411730628.db2.gz ZPQIQBDXUNIWDM-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509377 411791655 /nfs/dbraw/zinc/79/16/55/411791655.db2.gz BUZKZCJHEIXLTG-VXGBXAGGSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509377 411791657 /nfs/dbraw/zinc/79/16/57/411791657.db2.gz BUZKZCJHEIXLTG-VXGBXAGGSA-N 1 2 234.274 1.461 20 0 BDADLO C[C@@H](NC(=O)NCC(C)(F)F)c1[nH+]ccn1C ZINC000661237969 411738642 /nfs/dbraw/zinc/73/86/42/411738642.db2.gz CHZSNRAFVDNSLC-SSDOTTSWSA-N 1 2 246.261 1.436 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000661293523 411748302 /nfs/dbraw/zinc/74/83/02/411748302.db2.gz WFGPUOZELKQPDF-JQWIXIFHSA-N 1 2 248.330 1.597 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000661293523 411748307 /nfs/dbraw/zinc/74/83/07/411748307.db2.gz WFGPUOZELKQPDF-JQWIXIFHSA-N 1 2 248.330 1.597 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000661312561 411750052 /nfs/dbraw/zinc/75/00/52/411750052.db2.gz BDKBOKOLHFCGSI-USWWRNFRSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000661312561 411750056 /nfs/dbraw/zinc/75/00/56/411750056.db2.gz BDKBOKOLHFCGSI-USWWRNFRSA-N 1 2 248.330 1.740 20 0 BDADLO CCc1cc(NC(=O)NCCn2cc[nH+]c2)no1 ZINC000606960330 411763866 /nfs/dbraw/zinc/76/38/66/411763866.db2.gz RGDGPNNQGRLSGI-UHFFFAOYSA-N 1 2 249.274 1.255 20 0 BDADLO CCc1cc(N2CCc3nc[nH]c3C2)nc(C)[nH+]1 ZINC000663919843 411775500 /nfs/dbraw/zinc/77/55/00/411775500.db2.gz SCBUQLJLGFJKFB-UHFFFAOYSA-N 1 2 243.314 1.633 20 0 BDADLO Cc1ccc(N2CCc3[nH+]c[nH]c3C2)nn1 ZINC000663919284 411775616 /nfs/dbraw/zinc/77/56/16/411775616.db2.gz LHKZXWLCFKFWFL-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccnn1C ZINC000661469231 411782399 /nfs/dbraw/zinc/78/23/99/411782399.db2.gz KNKCUNXVZMHGDI-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccnn1C ZINC000661469231 411782400 /nfs/dbraw/zinc/78/24/00/411782400.db2.gz KNKCUNXVZMHGDI-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000663945273 411786054 /nfs/dbraw/zinc/78/60/54/411786054.db2.gz FMYWAPNAXVOALH-SFYZADRCSA-N 1 2 217.276 1.208 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@](C)(C2CC2)C1 ZINC000661166120 411727226 /nfs/dbraw/zinc/72/72/26/411727226.db2.gz AKLMFJVDIMHFLD-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000661528836 411795652 /nfs/dbraw/zinc/79/56/52/411795652.db2.gz PAQMNYLZDACJOY-SNVBAGLBSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000661528836 411795655 /nfs/dbraw/zinc/79/56/55/411795655.db2.gz PAQMNYLZDACJOY-SNVBAGLBSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC23COC3)[nH+]1 ZINC000663972690 411796890 /nfs/dbraw/zinc/79/68/90/411796890.db2.gz GYGZEEFLVPKFKR-UHFFFAOYSA-N 1 2 230.271 1.245 20 0 BDADLO Cc1cc(N2CCC23COC3)nc(C2CC2)[nH+]1 ZINC000663973964 411796933 /nfs/dbraw/zinc/79/69/33/411796933.db2.gz DEBFZYSYSJVMNX-UHFFFAOYSA-N 1 2 231.299 1.642 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@]1(C)CC1(C)C ZINC000663975923 411797754 /nfs/dbraw/zinc/79/77/54/411797754.db2.gz SWGUHUFWSZCMRS-GFCCVEGCSA-N 1 2 236.319 1.408 20 0 BDADLO CCc1cc(N2CCC23COC3)nc(C)[nH+]1 ZINC000663976788 411797930 /nfs/dbraw/zinc/79/79/30/411797930.db2.gz YQMJGOJGRJLJQX-UHFFFAOYSA-N 1 2 219.288 1.327 20 0 BDADLO Cc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)ncn1 ZINC000661538361 411798146 /nfs/dbraw/zinc/79/81/46/411798146.db2.gz IEEFZJIGMMDESZ-NXEZZACHSA-N 1 2 233.315 1.442 20 0 BDADLO Cc1n[nH]c(C)c1CCNc1cc(C)[nH+]cn1 ZINC000663983999 411800958 /nfs/dbraw/zinc/80/09/58/411800958.db2.gz PBEXVELZCBXVRT-UHFFFAOYSA-N 1 2 231.303 1.780 20 0 BDADLO CC(C)(C)n1nnc(CCOc2cc[nH+]cc2)n1 ZINC000664014375 411813821 /nfs/dbraw/zinc/81/38/21/411813821.db2.gz AQEXLKJQFNPQGZ-UHFFFAOYSA-N 1 2 247.302 1.445 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000087236815 487620777 /nfs/dbraw/zinc/62/07/77/487620777.db2.gz JJPKDTGARYUISX-JXVAYASWSA-N 1 2 249.314 1.662 20 0 BDADLO CNC(=O)COc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046871 411826798 /nfs/dbraw/zinc/82/67/98/411826798.db2.gz RJYDVMDZSGYVMA-UHFFFAOYSA-N 1 2 233.271 1.007 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+](C)CC1=CCCOC1 ZINC000661651556 411827880 /nfs/dbraw/zinc/82/78/80/411827880.db2.gz ARUXOWJSRKUYKF-JTQLQIEISA-N 1 2 248.330 1.398 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)CC1=CCCOC1 ZINC000661651556 411827883 /nfs/dbraw/zinc/82/78/83/411827883.db2.gz ARUXOWJSRKUYKF-JTQLQIEISA-N 1 2 248.330 1.398 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CCF)C2)[nH]1 ZINC000661690237 411840027 /nfs/dbraw/zinc/84/00/27/411840027.db2.gz KROPSQLZVMGUAR-JTQLQIEISA-N 1 2 240.326 1.939 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](CCF)C2)[nH]1 ZINC000661690237 411840031 /nfs/dbraw/zinc/84/00/31/411840031.db2.gz KROPSQLZVMGUAR-JTQLQIEISA-N 1 2 240.326 1.939 20 0 BDADLO CC(C)c1ncn(Cc2c[nH+]cn2C)n1 ZINC000664106579 411857111 /nfs/dbraw/zinc/85/71/11/411857111.db2.gz KDCHVSXQPQYNFI-UHFFFAOYSA-N 1 2 205.265 1.183 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)c1ncnc2c1CCCC2 ZINC000664126247 411863095 /nfs/dbraw/zinc/86/30/95/411863095.db2.gz FDTFLDRUOGUGSI-UHFFFAOYSA-N 1 2 243.314 1.715 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)c1ncnc2c1CCCC2 ZINC000664126247 411863100 /nfs/dbraw/zinc/86/31/00/411863100.db2.gz FDTFLDRUOGUGSI-UHFFFAOYSA-N 1 2 243.314 1.715 20 0 BDADLO CN1CC[N@H+](Cc2cc(C3CC3)no2)CCC1=O ZINC000661804415 411886503 /nfs/dbraw/zinc/88/65/03/411886503.db2.gz BJTQXGXNZRSIBM-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO CN1CC[N@@H+](Cc2cc(C3CC3)no2)CCC1=O ZINC000661804415 411886508 /nfs/dbraw/zinc/88/65/08/411886508.db2.gz BJTQXGXNZRSIBM-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC(=O)N(C)CC2)s1 ZINC000661806359 411888249 /nfs/dbraw/zinc/88/82/49/411888249.db2.gz IXZFEGSYEJMRNO-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1cnc(C[N@H+]2CCC(=O)N(C)CC2)s1 ZINC000661806359 411888252 /nfs/dbraw/zinc/88/82/52/411888252.db2.gz IXZFEGSYEJMRNO-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C12CCC2 ZINC000661838717 411899837 /nfs/dbraw/zinc/89/98/37/411899837.db2.gz OAZLRZLQTMHULG-UWVGGRQHSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)n1C ZINC000661856681 411904463 /nfs/dbraw/zinc/90/44/63/411904463.db2.gz KBIUGOAJIYIUPX-ZJUUUORDSA-N 1 2 238.335 1.123 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)n1C ZINC000661856681 411904465 /nfs/dbraw/zinc/90/44/65/411904465.db2.gz KBIUGOAJIYIUPX-ZJUUUORDSA-N 1 2 238.335 1.123 20 0 BDADLO C[C@H](Nc1cc[nH+]c2ccncc12)C1(CO)CC1 ZINC000664273767 411907016 /nfs/dbraw/zinc/90/70/16/411907016.db2.gz YDZXCLURKZCDIZ-JTQLQIEISA-N 1 2 243.310 1.625 20 0 BDADLO Cc1nc(NCCC2CC(F)(F)C2)nc(N)[nH+]1 ZINC000631305347 411940252 /nfs/dbraw/zinc/94/02/52/411940252.db2.gz UCNBYGSTEVCAPI-UHFFFAOYSA-N 1 2 243.261 1.031 20 0 BDADLO Cc1nc(N)nc(NCCC2CC(F)(F)C2)[nH+]1 ZINC000631305347 411940257 /nfs/dbraw/zinc/94/02/57/411940257.db2.gz UCNBYGSTEVCAPI-UHFFFAOYSA-N 1 2 243.261 1.031 20 0 BDADLO CCO[C@@H]1CCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631296479 411868450 /nfs/dbraw/zinc/86/84/50/411868450.db2.gz HKDXVANRPMOEAH-RKDXNWHRSA-N 1 2 237.307 1.132 20 0 BDADLO CCO[C@@H]1CCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631296479 411868458 /nfs/dbraw/zinc/86/84/58/411868458.db2.gz HKDXVANRPMOEAH-RKDXNWHRSA-N 1 2 237.307 1.132 20 0 BDADLO CC[C@@H](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000631356011 411873737 /nfs/dbraw/zinc/87/37/37/411873737.db2.gz VHCKMCIMKCUDFM-SSDOTTSWSA-N 1 2 209.297 1.032 20 0 BDADLO CC[C@@H](C)CCNc1nc(N)nc(C)[nH+]1 ZINC000631356011 411873741 /nfs/dbraw/zinc/87/37/41/411873741.db2.gz VHCKMCIMKCUDFM-SSDOTTSWSA-N 1 2 209.297 1.032 20 0 BDADLO Nc1[nH+]cnc(N[C@@H](CO)C2CCC2)c1Cl ZINC000664172997 411879455 /nfs/dbraw/zinc/87/94/55/411879455.db2.gz YZLYTFUYLOIARC-ZETCQYMHSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(N[C@@H](CO)C2CCC2)c1Cl ZINC000664172997 411879459 /nfs/dbraw/zinc/87/94/59/411879459.db2.gz YZLYTFUYLOIARC-ZETCQYMHSA-N 1 2 242.710 1.285 20 0 BDADLO OC[C@H](Nc1cc(NC2CC2)[nH+]cn1)C1CCC1 ZINC000664173110 411879508 /nfs/dbraw/zinc/87/95/08/411879508.db2.gz KIHSKJOFKIEBSZ-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO OC[C@H](Nc1cc(NC2CC2)nc[nH+]1)C1CCC1 ZINC000664173110 411879512 /nfs/dbraw/zinc/87/95/12/411879512.db2.gz KIHSKJOFKIEBSZ-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO COCCC1CN(c2cc(C)[nH+]cn2)C1 ZINC000664192273 411884604 /nfs/dbraw/zinc/88/46/04/411884604.db2.gz AEXJEFRCWZGRMA-UHFFFAOYSA-N 1 2 207.277 1.258 20 0 BDADLO Cc1cc(NC[C@@H](CO)CC2CC2)nc[nH+]1 ZINC000664460759 411964413 /nfs/dbraw/zinc/96/44/13/411964413.db2.gz NZOGMDUMKSMSHF-NSHDSACASA-N 1 2 221.304 1.606 20 0 BDADLO C[C@@H](NC(=O)N1CC=CCC1)c1[nH+]ccn1C ZINC000662091313 411984560 /nfs/dbraw/zinc/98/45/60/411984560.db2.gz DRTKPFLERFWJBH-SNVBAGLBSA-N 1 2 234.303 1.453 20 0 BDADLO C[C@@H](NC(=O)N(C)CC(F)F)c1[nH+]ccn1C ZINC000662093596 411984924 /nfs/dbraw/zinc/98/49/24/411984924.db2.gz FKAJCHAGOWNXEH-SSDOTTSWSA-N 1 2 246.261 1.388 20 0 BDADLO Oc1ccc2c(c1)CN(Cc1[nH]cc[nH+]1)CCO2 ZINC000662100341 411987228 /nfs/dbraw/zinc/98/72/28/411987228.db2.gz GABIYBMCNTYZDJ-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC3(COC3)C2)[nH+]1 ZINC000664571265 411989121 /nfs/dbraw/zinc/98/91/21/411989121.db2.gz YAMBHUWWJNRUIJ-UHFFFAOYSA-N 1 2 244.298 1.493 20 0 BDADLO c1ccc(N2CCc3nccnc3C2)[nH+]c1 ZINC000664588392 411993012 /nfs/dbraw/zinc/99/30/12/411993012.db2.gz CIEMEWIFEFMCLS-UHFFFAOYSA-N 1 2 212.256 1.434 20 0 BDADLO COc1ccnc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000664608558 411998028 /nfs/dbraw/zinc/99/80/28/411998028.db2.gz GZWMKWFZRIFUJP-QMMMGPOBSA-N 1 2 233.275 1.392 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2C[C@H](O)C2)c1Cl ZINC000664642725 412002815 /nfs/dbraw/zinc/00/28/15/412002815.db2.gz CJIXEMHLMUZMJY-ZKCHVHJHSA-N 1 2 212.680 1.979 20 0 BDADLO CNc1nc(N[C@H]2C[C@H](O)C2)[nH+]c2ccccc21 ZINC000664642287 412003132 /nfs/dbraw/zinc/00/31/32/412003132.db2.gz BQMGJTSLBNVCIK-KYZUINATSA-N 1 2 244.298 1.607 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)C[C@@H]1CC1(C)C ZINC000664670493 412007878 /nfs/dbraw/zinc/00/78/78/412007878.db2.gz SXCBCRINFCPWGX-QMMMGPOBSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)C[C@@H]1CC1(C)C ZINC000664670493 412007883 /nfs/dbraw/zinc/00/78/83/412007883.db2.gz SXCBCRINFCPWGX-QMMMGPOBSA-N 1 2 236.319 1.550 20 0 BDADLO FCCOCCNc1cc[nH+]c2ccncc12 ZINC000664674763 412008815 /nfs/dbraw/zinc/00/88/15/412008815.db2.gz NOXUYAKJUFXZCU-UHFFFAOYSA-N 1 2 235.262 1.450 20 0 BDADLO CCn1nccc1CNc1cc(C)[nH+]cn1 ZINC000664680743 412009381 /nfs/dbraw/zinc/00/93/81/412009381.db2.gz OQFJHKSAIHIWTN-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO Cc1nc(NC[C@H]2CCC(F)(F)C2)nc(N)[nH+]1 ZINC000631260175 411945191 /nfs/dbraw/zinc/94/51/91/411945191.db2.gz DMYOCMYELCFYHT-ZETCQYMHSA-N 1 2 243.261 1.031 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCC(F)(F)C2)[nH+]1 ZINC000631260175 411945197 /nfs/dbraw/zinc/94/51/97/411945197.db2.gz DMYOCMYELCFYHT-ZETCQYMHSA-N 1 2 243.261 1.031 20 0 BDADLO Cc1nc(N(C)Cc2cn(C)nn2)c(C)c(C)[nH+]1 ZINC000664432709 411954044 /nfs/dbraw/zinc/95/40/44/411954044.db2.gz RMFQYIVXVJTVNI-UHFFFAOYSA-N 1 2 246.318 1.167 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000664439480 411957541 /nfs/dbraw/zinc/95/75/41/411957541.db2.gz NSLDGQWGEGRSBT-GXFFZTMASA-N 1 2 243.310 1.979 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCC(C)(C)F ZINC000631406714 411957701 /nfs/dbraw/zinc/95/77/01/411957701.db2.gz PJWYAEXTUYEKEB-UHFFFAOYSA-N 1 2 238.270 1.106 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833422 412029615 /nfs/dbraw/zinc/02/96/15/412029615.db2.gz LIDWRUFOCGHMHB-VXGBXAGGSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833422 412029618 /nfs/dbraw/zinc/02/96/18/412029618.db2.gz LIDWRUFOCGHMHB-VXGBXAGGSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](COC)C(=O)OC)C1 ZINC000355053371 170987020 /nfs/dbraw/zinc/98/70/20/170987020.db2.gz OSVPAHLHUIAVPB-UTUOFQBUSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H](O)C(C)(C)C)s1 ZINC000662256612 412051544 /nfs/dbraw/zinc/05/15/44/412051544.db2.gz MCCOJKWAHVEPLQ-SECBINFHSA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)C(C)(C)C)s1 ZINC000662256612 412051547 /nfs/dbraw/zinc/05/15/47/412051547.db2.gz MCCOJKWAHVEPLQ-SECBINFHSA-N 1 2 243.376 1.685 20 0 BDADLO CC[C@@H](O)Cc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664984915 412057031 /nfs/dbraw/zinc/05/70/31/412057031.db2.gz HOACJHJTZKRRSV-LLVKDONJSA-N 1 2 247.298 1.677 20 0 BDADLO CC[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000150940735 171005251 /nfs/dbraw/zinc/00/52/51/171005251.db2.gz MSVQKWUBSWUWJR-LLVKDONJSA-N 1 2 236.319 1.325 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000362525150 171047173 /nfs/dbraw/zinc/04/71/73/171047173.db2.gz QTSORWPIWFNZLB-NXEZZACHSA-N 1 2 237.303 1.326 20 0 BDADLO CC[C@@H]1CN(C(=O)Nc2cc[nH+]cc2C)C[C@@H]1O ZINC000271116274 171067288 /nfs/dbraw/zinc/06/72/88/171067288.db2.gz HPKNPWOFDXPWQF-PWSUYJOCSA-N 1 2 249.314 1.625 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C)[S@@]1=O ZINC000285631197 171089906 /nfs/dbraw/zinc/08/99/06/171089906.db2.gz CVPSGLLYCCAPFF-ZXLZKYRFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C)[S@@]1=O ZINC000285631197 171089908 /nfs/dbraw/zinc/08/99/08/171089908.db2.gz CVPSGLLYCCAPFF-ZXLZKYRFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncc(F)c2)CCO1 ZINC000274361518 171091296 /nfs/dbraw/zinc/09/12/96/171091296.db2.gz NPVVRCGWBJPDAI-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncc(F)c2)CCO1 ZINC000274361518 171091298 /nfs/dbraw/zinc/09/12/98/171091298.db2.gz NPVVRCGWBJPDAI-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccnn1C ZINC000270992206 171114274 /nfs/dbraw/zinc/11/42/74/171114274.db2.gz IKYWFAZXYHQUAA-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccnn1C ZINC000270992206 171114277 /nfs/dbraw/zinc/11/42/77/171114277.db2.gz IKYWFAZXYHQUAA-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)no1 ZINC000298579872 171114732 /nfs/dbraw/zinc/11/47/32/171114732.db2.gz URXUHIGAKXCUFB-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)no1 ZINC000298579872 171114734 /nfs/dbraw/zinc/11/47/34/171114734.db2.gz URXUHIGAKXCUFB-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000337887540 171129217 /nfs/dbraw/zinc/12/92/17/171129217.db2.gz ZAHPJABWGIXBHS-VHSXEESVSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@@](C)(OC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335293759 171188523 /nfs/dbraw/zinc/18/85/23/171188523.db2.gz OEBWUDLZHZKLPS-GFCCVEGCSA-N 1 2 237.303 1.040 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000336713513 171204429 /nfs/dbraw/zinc/20/44/29/171204429.db2.gz SQCGFGZRJAHMHC-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(C)n(C)n1 ZINC000336713513 171204431 /nfs/dbraw/zinc/20/44/31/171204431.db2.gz SQCGFGZRJAHMHC-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnoc1C ZINC000336476328 171206106 /nfs/dbraw/zinc/20/61/06/171206106.db2.gz JSNYEGKVPDZWMS-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cnoc1C ZINC000336476328 171206109 /nfs/dbraw/zinc/20/61/09/171206109.db2.gz JSNYEGKVPDZWMS-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000299249252 171250894 /nfs/dbraw/zinc/25/08/94/171250894.db2.gz YOFJMQHDHPTZKY-JTQLQIEISA-N 1 2 221.304 1.656 20 0 BDADLO CC[C@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000277319682 171261374 /nfs/dbraw/zinc/26/13/74/171261374.db2.gz UHYDNMATDKLROP-VIFPVBQESA-N 1 2 209.293 1.473 20 0 BDADLO CC[C@H](C)CN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278141389 171276155 /nfs/dbraw/zinc/27/61/55/171276155.db2.gz ARNJKRPRLQSWEF-QMMMGPOBSA-N 1 2 248.334 1.428 20 0 BDADLO CC[C@H](C)CN(C)c1[nH+]cnc2c1cnn2C ZINC000171942303 171276192 /nfs/dbraw/zinc/27/61/92/171276192.db2.gz DGUQJVUBNFASJN-VIFPVBQESA-N 1 2 233.319 1.846 20 0 BDADLO CC[C@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000049370959 171303383 /nfs/dbraw/zinc/30/33/83/171303383.db2.gz CERQSHSZNQDKNW-JTQLQIEISA-N 1 2 224.308 1.323 20 0 BDADLO CC[C@H](C)N(CC(=O)OC)Cc1c[nH+]c[nH]1 ZINC000281325623 171311721 /nfs/dbraw/zinc/31/17/21/171311721.db2.gz LNASVUZMSNPNNJ-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@H](C)N(CC(=O)OC)Cc1c[nH]c[nH+]1 ZINC000281325623 171311722 /nfs/dbraw/zinc/31/17/22/171311722.db2.gz LNASVUZMSNPNNJ-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@H](C)N(CCO)c1cc(C)[nH+]cn1 ZINC000308815963 171314988 /nfs/dbraw/zinc/31/49/88/171314988.db2.gz PHOJAJQGXSBCTQ-JTQLQIEISA-N 1 2 209.293 1.382 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000366324155 171324450 /nfs/dbraw/zinc/32/44/50/171324450.db2.gz IYQISLMJPBXDTD-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCc2ncccc2C1 ZINC000366324155 171324451 /nfs/dbraw/zinc/32/44/51/171324451.db2.gz IYQISLMJPBXDTD-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362560178 171324817 /nfs/dbraw/zinc/32/48/17/171324817.db2.gz MXHOEIRXBNNSRS-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362560178 171324819 /nfs/dbraw/zinc/32/48/19/171324819.db2.gz MXHOEIRXBNNSRS-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000336615784 171335800 /nfs/dbraw/zinc/33/58/00/171335800.db2.gz LHDOBVCMNVMRIX-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]Cc1cccn1C)C(=O)OC ZINC000049537322 171374226 /nfs/dbraw/zinc/37/42/26/171374226.db2.gz MUOWIUDPHHJCNJ-CMPLNLGQSA-N 1 2 238.331 1.702 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC3CC2(C)C3)no1 ZINC000662385239 412138399 /nfs/dbraw/zinc/13/83/99/412138399.db2.gz OUMVQNQGDYPOII-DUWLDVDNSA-N 1 2 207.277 1.923 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC3CC2(C)C3)no1 ZINC000662385239 412138403 /nfs/dbraw/zinc/13/84/03/412138403.db2.gz OUMVQNQGDYPOII-DUWLDVDNSA-N 1 2 207.277 1.923 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000272570501 171384572 /nfs/dbraw/zinc/38/45/72/171384572.db2.gz RXTPFFDHNITDJI-IUCAKERBSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000309850398 171399606 /nfs/dbraw/zinc/39/96/06/171399606.db2.gz XMKZVAKDQYVXIW-DCAQKATOSA-N 1 2 231.336 1.181 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]Cc1cccn1C)C(=O)OC ZINC000049537320 171399970 /nfs/dbraw/zinc/39/99/70/171399970.db2.gz MUOWIUDPHHJCNJ-JQWIXIFHSA-N 1 2 238.331 1.702 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CC3CC2(C)C3)c1 ZINC000665108774 412096830 /nfs/dbraw/zinc/09/68/30/412096830.db2.gz OQVBVPSTIICCSR-UHFFFAOYSA-N 1 2 248.330 1.157 20 0 BDADLO Cc1cc(CNC(=O)NC/C=C\CO)cc(C)[nH+]1 ZINC000665163353 412117013 /nfs/dbraw/zinc/11/70/13/412117013.db2.gz FXGGWQSKHVLSPE-ARJAWSKDSA-N 1 2 249.314 1.046 20 0 BDADLO C[C@@H](NC(=O)NC(C)(C)C)c1[nH+]ccn1C ZINC000663236515 412397186 /nfs/dbraw/zinc/39/71/86/412397186.db2.gz GLXOVAKZYQECJT-MRVPVSSYSA-N 1 2 224.308 1.579 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H]2CCOC2)s1 ZINC000271443081 171908903 /nfs/dbraw/zinc/90/89/03/171908903.db2.gz SIOHJPDWBBSLBB-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H]2CCOC2)s1 ZINC000271443081 171908904 /nfs/dbraw/zinc/90/89/04/171908904.db2.gz SIOHJPDWBBSLBB-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCCNC2=O)cs1 ZINC000050395743 171988581 /nfs/dbraw/zinc/98/85/81/171988581.db2.gz ZNRPWMWTEOOUQX-VIFPVBQESA-N 1 2 239.344 1.074 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cnccn2)[nH]1 ZINC000358270690 172002953 /nfs/dbraw/zinc/00/29/53/172002953.db2.gz XJDYNSNPBKRMFP-RKDXNWHRSA-N 1 2 246.318 1.569 20 0 BDADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(N)=O)cs1 ZINC000183071345 172006582 /nfs/dbraw/zinc/00/65/82/172006582.db2.gz YRUVZPJGTIKVRF-BQBZGAKWSA-N 1 2 227.333 1.230 20 0 BDADLO CCc1[nH+]c2ccccc2n1C[C@H](O)COC ZINC000069054150 172013987 /nfs/dbraw/zinc/01/39/87/172013987.db2.gz MGLVPVGDHRLERE-JTQLQIEISA-N 1 2 234.299 1.606 20 0 BDADLO CCc1ncc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000269520968 172020943 /nfs/dbraw/zinc/02/09/43/172020943.db2.gz MFCNFZGRKCRPMA-UHFFFAOYSA-N 1 2 245.286 1.264 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@@H](C)OC)o1 ZINC000336688401 172048112 /nfs/dbraw/zinc/04/81/12/172048112.db2.gz LPEWNOSLCTVTLV-MRVPVSSYSA-N 1 2 213.281 1.099 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)OC)o1 ZINC000336688401 172048114 /nfs/dbraw/zinc/04/81/14/172048114.db2.gz LPEWNOSLCTVTLV-MRVPVSSYSA-N 1 2 213.281 1.099 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](OC)C2)o1 ZINC000361372291 172063583 /nfs/dbraw/zinc/06/35/83/172063583.db2.gz MGWIBOLAAAJFHV-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@H](OC)C2)o1 ZINC000361372291 172063584 /nfs/dbraw/zinc/06/35/84/172063584.db2.gz MGWIBOLAAAJFHV-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CCOC)o1 ZINC000111204861 172065350 /nfs/dbraw/zinc/06/53/50/172065350.db2.gz VITWQKYSUMLQDP-QMMMGPOBSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CCOC)o1 ZINC000111204861 172065354 /nfs/dbraw/zinc/06/53/54/172065354.db2.gz VITWQKYSUMLQDP-QMMMGPOBSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1noc(C)c1CNc1cc(C)[nH+]cn1 ZINC000338730257 172077465 /nfs/dbraw/zinc/07/74/65/172077465.db2.gz OKKQHRCLEAOIIK-UHFFFAOYSA-N 1 2 232.287 1.678 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338584727 172078201 /nfs/dbraw/zinc/07/82/01/172078201.db2.gz GSBXGTQOCBUITA-LBPRGKRZSA-N 1 2 242.294 1.452 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338584727 172078203 /nfs/dbraw/zinc/07/82/03/172078203.db2.gz GSBXGTQOCBUITA-LBPRGKRZSA-N 1 2 242.294 1.452 20 0 BDADLO CCc1noc(Cc2ccc[nH+]c2C)n1 ZINC000285669852 172086616 /nfs/dbraw/zinc/08/66/16/172086616.db2.gz YGUMDHOLCHOIRR-UHFFFAOYSA-N 1 2 203.245 1.926 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000374341554 172088614 /nfs/dbraw/zinc/08/86/14/172088614.db2.gz PBKYBZXOOIEVSV-NXEZZACHSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCOC[C@H](C)C2)n1 ZINC000374341554 172088615 /nfs/dbraw/zinc/08/86/15/172088615.db2.gz PBKYBZXOOIEVSV-NXEZZACHSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000304344616 172088784 /nfs/dbraw/zinc/08/87/84/172088784.db2.gz ZZKAXHVEUXBLGP-DTWKUNHWSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000304344616 172088786 /nfs/dbraw/zinc/08/87/86/172088786.db2.gz ZZKAXHVEUXBLGP-DTWKUNHWSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000274030756 172089066 /nfs/dbraw/zinc/08/90/66/172089066.db2.gz MKOCGBHVABDFJT-JGVFFNPUSA-N 1 2 235.291 1.767 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@H](C)Cn2cccn2)n1 ZINC000264341710 172091945 /nfs/dbraw/zinc/09/19/45/172091945.db2.gz CJMSIOIITLDTAM-ZJUUUORDSA-N 1 2 249.318 1.568 20 0 BDADLO CCc1nsc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000083654570 172106665 /nfs/dbraw/zinc/10/66/65/172106665.db2.gz GPEDELDRJGCNED-MRVPVSSYSA-N 1 2 237.332 1.798 20 0 BDADLO CCc1ocnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290964695 172120575 /nfs/dbraw/zinc/12/05/75/172120575.db2.gz SCANCVBYQWCKGT-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCn1cc(C(=O)Nc2cc[nH+]cc2C)cn1 ZINC000114331934 172156478 /nfs/dbraw/zinc/15/64/78/172156478.db2.gz SRWPCOAKRGUZCZ-UHFFFAOYSA-N 1 2 230.271 1.859 20 0 BDADLO CCn1cc(CC[N@@H+]2CCC(=O)[C@@H](C)C2)cn1 ZINC000284834522 172159323 /nfs/dbraw/zinc/15/93/23/172159323.db2.gz BPBIELQWOJDTBQ-NSHDSACASA-N 1 2 235.331 1.356 20 0 BDADLO CCn1cc(CC[N@H+]2CCC(=O)[C@@H](C)C2)cn1 ZINC000284834522 172159324 /nfs/dbraw/zinc/15/93/24/172159324.db2.gz BPBIELQWOJDTBQ-NSHDSACASA-N 1 2 235.331 1.356 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000092590965 172163655 /nfs/dbraw/zinc/16/36/55/172163655.db2.gz MRWOTVODPPOAQX-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000092590965 172163658 /nfs/dbraw/zinc/16/36/58/172163658.db2.gz MRWOTVODPPOAQX-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](C)C1 ZINC000195514198 172219273 /nfs/dbraw/zinc/21/92/73/172219273.db2.gz FUHRUMHASKLJRP-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@@H]1c1ncon1 ZINC000375772986 172220326 /nfs/dbraw/zinc/22/03/26/172220326.db2.gz MRWLBRYEQAYVCM-SNVBAGLBSA-N 1 2 247.302 1.623 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccnc(F)c1 ZINC000295565392 172221581 /nfs/dbraw/zinc/22/15/81/172221581.db2.gz FSDKJIMNMUDXMH-UHFFFAOYSA-N 1 2 248.261 1.367 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[C@@H]1C ZINC000298091687 172221840 /nfs/dbraw/zinc/22/18/40/172221840.db2.gz LPHXLVQFRMWSRO-ZJUUUORDSA-N 1 2 236.319 1.453 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC=C(C)C ZINC000296777643 172222621 /nfs/dbraw/zinc/22/26/21/172222621.db2.gz ITFLLKOMSMSGIO-UHFFFAOYSA-N 1 2 236.319 1.668 20 0 BDADLO CCn1nc(C)c(CNc2ccc[nH+]c2C)n1 ZINC000295822353 172247497 /nfs/dbraw/zinc/24/74/97/172247497.db2.gz UUIFCODZDKRQIA-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000179863968 172266718 /nfs/dbraw/zinc/26/67/18/172266718.db2.gz HIEQGJIPKHUZSB-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000179863968 172266720 /nfs/dbraw/zinc/26/67/20/172266720.db2.gz HIEQGJIPKHUZSB-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156564817 172269214 /nfs/dbraw/zinc/26/92/14/172269214.db2.gz VRUASZLWXGWGRF-PHIMTYICSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156564817 172269217 /nfs/dbraw/zinc/26/92/17/172269217.db2.gz VRUASZLWXGWGRF-PHIMTYICSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368012917 172279944 /nfs/dbraw/zinc/27/99/44/172279944.db2.gz ZCHCRWJVNBZHSM-GHMZBOCLSA-N 1 2 220.320 1.672 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368012917 172279947 /nfs/dbraw/zinc/27/99/47/172279947.db2.gz ZCHCRWJVNBZHSM-GHMZBOCLSA-N 1 2 220.320 1.672 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000359075466 172284061 /nfs/dbraw/zinc/28/40/61/172284061.db2.gz SOXPOVDOWXJHPA-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](F)C1 ZINC000335402286 172286283 /nfs/dbraw/zinc/28/62/83/172286283.db2.gz YFNMIMZEZVFQTH-VIFPVBQESA-N 1 2 212.272 1.150 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@H](F)C1 ZINC000335402286 172286286 /nfs/dbraw/zinc/28/62/86/172286286.db2.gz YFNMIMZEZVFQTH-VIFPVBQESA-N 1 2 212.272 1.150 20 0 BDADLO CN(C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000336424665 172376970 /nfs/dbraw/zinc/37/69/70/172376970.db2.gz GULNMEMDWBOHOW-UHFFFAOYSA-N 1 2 236.319 1.333 20 0 BDADLO CN(C)C(=O)NCCNc1cc[nH+]c(C2CC2)n1 ZINC000273256551 172380142 /nfs/dbraw/zinc/38/01/42/172380142.db2.gz VOWMGRXIFIISQM-UHFFFAOYSA-N 1 2 249.318 1.037 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665848292 487624707 /nfs/dbraw/zinc/62/47/07/487624707.db2.gz MYZWNCQTYNYXRF-UWVGGRQHSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665848292 487624713 /nfs/dbraw/zinc/62/47/13/487624713.db2.gz MYZWNCQTYNYXRF-UWVGGRQHSA-N 1 2 235.331 1.675 20 0 BDADLO CN1CCC[C@@H](Nc2cccc[nH+]2)C1=O ZINC000336356356 173022578 /nfs/dbraw/zinc/02/25/78/173022578.db2.gz VJRXNVKGQUKUPE-SECBINFHSA-N 1 2 205.261 1.114 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000264970782 173025217 /nfs/dbraw/zinc/02/52/17/173025217.db2.gz FMVVOPPPSURQJK-SNVBAGLBSA-N 1 2 240.253 1.998 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000264970782 173025220 /nfs/dbraw/zinc/02/52/20/173025220.db2.gz FMVVOPPPSURQJK-SNVBAGLBSA-N 1 2 240.253 1.998 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc([C@@H]3CC3(C)C)no2)C1 ZINC000333626748 173109155 /nfs/dbraw/zinc/10/91/55/173109155.db2.gz FXFUJXVCOATUFF-IUCAKERBSA-N 1 2 237.303 1.586 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc([C@@H]3CC3(C)C)no2)C1 ZINC000333626748 173109158 /nfs/dbraw/zinc/10/91/58/173109158.db2.gz FXFUJXVCOATUFF-IUCAKERBSA-N 1 2 237.303 1.586 20 0 BDADLO C[N@@H+]1CCc2nc(NC(=O)C(F)F)sc2C1 ZINC000278447065 173173591 /nfs/dbraw/zinc/17/35/91/173173591.db2.gz MMBJAJLRUUKLDY-UHFFFAOYSA-N 1 2 247.270 1.335 20 0 BDADLO C[N@H+]1CCc2nc(NC(=O)C(F)F)sc2C1 ZINC000278447065 173173593 /nfs/dbraw/zinc/17/35/93/173173593.db2.gz MMBJAJLRUUKLDY-UHFFFAOYSA-N 1 2 247.270 1.335 20 0 BDADLO CNC(=O)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000116260150 173260671 /nfs/dbraw/zinc/26/06/71/173260671.db2.gz CZRMEZFYZCYPAQ-UHFFFAOYSA-N 1 2 234.303 1.210 20 0 BDADLO CNC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292474235 173275688 /nfs/dbraw/zinc/27/56/88/173275688.db2.gz ROUUXXFAVKUYCI-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292474235 173275689 /nfs/dbraw/zinc/27/56/89/173275689.db2.gz ROUUXXFAVKUYCI-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)COc1ccc([NH2+]CC2CC2)c(C)c1 ZINC000280227046 173279173 /nfs/dbraw/zinc/27/91/73/173279173.db2.gz JOMDXCRBYFINBS-UHFFFAOYSA-N 1 2 248.326 1.942 20 0 BDADLO CNC(=O)C[C@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000272077797 173283275 /nfs/dbraw/zinc/28/32/75/173283275.db2.gz FAPCYMBVRGTCOR-JTQLQIEISA-N 1 2 248.326 1.948 20 0 BDADLO CNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000362355578 173291337 /nfs/dbraw/zinc/29/13/37/173291337.db2.gz DKQJGKAABIPPRP-UHFFFAOYSA-N 1 2 244.298 1.516 20 0 BDADLO CNC(=O)c1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000054764334 173310822 /nfs/dbraw/zinc/31/08/22/173310822.db2.gz BTUAXLSOAVNULP-UHFFFAOYSA-N 1 2 230.271 1.381 20 0 BDADLO CNC(=O)c1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000054764334 173310823 /nfs/dbraw/zinc/31/08/23/173310823.db2.gz BTUAXLSOAVNULP-UHFFFAOYSA-N 1 2 230.271 1.381 20 0 BDADLO C[NH2+]C(C)(C)CNc1nc([C@@H](C)OC)ns1 ZINC000336764584 173319118 /nfs/dbraw/zinc/31/91/18/173319118.db2.gz NLTGOKYAHNAPBS-SSDOTTSWSA-N 1 2 244.364 1.077 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000183918201 173776539 /nfs/dbraw/zinc/77/65/39/173776539.db2.gz QOJMAOXKRVPQBJ-IUCAKERBSA-N 1 2 242.344 1.740 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183918201 173776542 /nfs/dbraw/zinc/77/65/42/173776542.db2.gz QOJMAOXKRVPQBJ-IUCAKERBSA-N 1 2 242.344 1.740 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000275751998 173804514 /nfs/dbraw/zinc/80/45/14/173804514.db2.gz QUVPFEWPVFXMIC-WDEREUQCSA-N 1 2 225.288 1.220 20 0 BDADLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](C)O ZINC000282049224 173831152 /nfs/dbraw/zinc/83/11/52/173831152.db2.gz RNESBDVHQXQCRN-GXFFZTMASA-N 1 2 249.310 1.140 20 0 BDADLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](C)O ZINC000282049224 173831157 /nfs/dbraw/zinc/83/11/57/173831157.db2.gz RNESBDVHQXQCRN-GXFFZTMASA-N 1 2 249.310 1.140 20 0 BDADLO COCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360010212 174053117 /nfs/dbraw/zinc/05/31/17/174053117.db2.gz LVUXSUSDZIROTN-UHFFFAOYSA-N 1 2 245.282 1.135 20 0 BDADLO COCC1(C[N@@H+]2CCOCC(F)(F)C2)CCC1 ZINC000361378533 174098106 /nfs/dbraw/zinc/09/81/06/174098106.db2.gz RPUGBPDUYXIUDI-UHFFFAOYSA-N 1 2 249.301 1.771 20 0 BDADLO COCC1(C[N@H+]2CCOCC(F)(F)C2)CCC1 ZINC000361378533 174098109 /nfs/dbraw/zinc/09/81/09/174098109.db2.gz RPUGBPDUYXIUDI-UHFFFAOYSA-N 1 2 249.301 1.771 20 0 BDADLO COCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000285804912 174109266 /nfs/dbraw/zinc/10/92/66/174109266.db2.gz QULYWYQWZSLZLA-UHFFFAOYSA-N 1 2 223.276 1.017 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000297410885 174113839 /nfs/dbraw/zinc/11/38/39/174113839.db2.gz MLKWNDQAAVPWQE-UHFFFAOYSA-N 1 2 241.718 1.533 20 0 BDADLO COCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000185881113 174116638 /nfs/dbraw/zinc/11/66/38/174116638.db2.gz RDSKONPERVCYPG-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO COCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000185881113 174116639 /nfs/dbraw/zinc/11/66/39/174116639.db2.gz RDSKONPERVCYPG-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO COCC1=CC[N@H+](Cc2nonc2C)CC1 ZINC000274944770 174116765 /nfs/dbraw/zinc/11/67/65/174116765.db2.gz FVVNNYAXLFMJLI-UHFFFAOYSA-N 1 2 223.276 1.157 20 0 BDADLO COCC1=CC[N@@H+](Cc2nonc2C)CC1 ZINC000274944770 174116766 /nfs/dbraw/zinc/11/67/66/174116766.db2.gz FVVNNYAXLFMJLI-UHFFFAOYSA-N 1 2 223.276 1.157 20 0 BDADLO COCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332395396 174124553 /nfs/dbraw/zinc/12/45/53/174124553.db2.gz SPIUVTCLEASZIR-VIFPVBQESA-N 1 2 223.276 1.110 20 0 BDADLO COCCC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000338862752 174146021 /nfs/dbraw/zinc/14/60/21/174146021.db2.gz GWEVGSZBRFEXAU-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO COCCC1(C)CN(c2cc(C)[nH+]cn2)C1 ZINC000341136714 174153451 /nfs/dbraw/zinc/15/34/51/174153451.db2.gz JFOVIGIVZTULIN-UHFFFAOYSA-N 1 2 221.304 1.648 20 0 BDADLO COCCC1(C)CN(c2cc[nH+]c(C)n2)C1 ZINC000288683960 174154976 /nfs/dbraw/zinc/15/49/76/174154976.db2.gz AWYLYWXUMZPQEC-UHFFFAOYSA-N 1 2 221.304 1.648 20 0 BDADLO COCCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119660195 174197825 /nfs/dbraw/zinc/19/78/25/174197825.db2.gz LDDWWKMCFPLJMJ-UHFFFAOYSA-N 1 2 237.303 1.938 20 0 BDADLO COCCCCNc1nc[nH+]c(N)c1Cl ZINC000234601902 174205414 /nfs/dbraw/zinc/20/54/14/174205414.db2.gz PAFBYTZNVJIFES-UHFFFAOYSA-N 1 2 230.699 1.551 20 0 BDADLO COCCCCNc1[nH+]cnc(N)c1Cl ZINC000234601902 174205416 /nfs/dbraw/zinc/20/54/16/174205416.db2.gz PAFBYTZNVJIFES-UHFFFAOYSA-N 1 2 230.699 1.551 20 0 BDADLO COCCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000330954346 174210304 /nfs/dbraw/zinc/21/03/04/174210304.db2.gz MESWAKCRVNITIS-UHFFFAOYSA-N 1 2 239.319 1.182 20 0 BDADLO COCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000243244694 174252536 /nfs/dbraw/zinc/25/25/36/174252536.db2.gz KOQVJJZIODFKHM-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO COCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000243244694 174252537 /nfs/dbraw/zinc/25/25/37/174252537.db2.gz KOQVJJZIODFKHM-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO COCCCOC1CN(c2cc(C)[nH+]cn2)C1 ZINC000128762907 174253000 /nfs/dbraw/zinc/25/30/00/174253000.db2.gz NGAZPNPICKVNCF-UHFFFAOYSA-N 1 2 237.303 1.027 20 0 BDADLO COCC[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000265307284 174279987 /nfs/dbraw/zinc/27/99/87/174279987.db2.gz DAZPPTKENNJSHD-UHFFFAOYSA-N 1 2 211.309 1.542 20 0 BDADLO COCC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000265307284 174279989 /nfs/dbraw/zinc/27/99/89/174279989.db2.gz DAZPPTKENNJSHD-UHFFFAOYSA-N 1 2 211.309 1.542 20 0 BDADLO COCC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000338238622 174281922 /nfs/dbraw/zinc/28/19/22/174281922.db2.gz VWXVPACIEINWAK-ZETCQYMHSA-N 1 2 215.322 1.486 20 0 BDADLO COCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000338238622 174281925 /nfs/dbraw/zinc/28/19/25/174281925.db2.gz VWXVPACIEINWAK-ZETCQYMHSA-N 1 2 215.322 1.486 20 0 BDADLO COCCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000110253705 174283564 /nfs/dbraw/zinc/28/35/64/174283564.db2.gz XBEOECQGGDRIDV-UHFFFAOYSA-N 1 2 209.293 1.683 20 0 BDADLO COCC[N@H+](Cc1cc(C)n(C)n1)C1CC1 ZINC000336701897 174299539 /nfs/dbraw/zinc/29/95/39/174299539.db2.gz MEDVBKUVSGXCEX-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO COCC[N@@H+](Cc1cc(C)n(C)n1)C1CC1 ZINC000336701897 174299541 /nfs/dbraw/zinc/29/95/41/174299541.db2.gz MEDVBKUVSGXCEX-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO COCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301828857 174341338 /nfs/dbraw/zinc/34/13/38/174341338.db2.gz OOTKNSWLMLZHKU-UHFFFAOYSA-N 1 2 222.292 1.357 20 0 BDADLO COCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000301828857 174341341 /nfs/dbraw/zinc/34/13/41/174341341.db2.gz OOTKNSWLMLZHKU-UHFFFAOYSA-N 1 2 222.292 1.357 20 0 BDADLO COCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000173464612 174369990 /nfs/dbraw/zinc/36/99/90/174369990.db2.gz MXZPFQKIPFIUDF-UHFFFAOYSA-N 1 2 218.256 1.898 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000365837890 174398068 /nfs/dbraw/zinc/39/80/68/174398068.db2.gz MNBGJDGSHQMLKQ-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1CCC(F)(F)F ZINC000365837890 174398070 /nfs/dbraw/zinc/39/80/70/174398070.db2.gz MNBGJDGSHQMLKQ-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO COC[C@H]([NH2+]CC(=O)NC(C)C)c1ccco1 ZINC000184538531 174578313 /nfs/dbraw/zinc/57/83/13/174578313.db2.gz MBIFSDMPGQKULQ-JTQLQIEISA-N 1 2 240.303 1.081 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000270579853 174891773 /nfs/dbraw/zinc/89/17/73/174891773.db2.gz IKCSJPUKZCOSHZ-JTQLQIEISA-N 1 2 222.288 1.773 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000270579853 174891775 /nfs/dbraw/zinc/89/17/75/174891775.db2.gz IKCSJPUKZCOSHZ-JTQLQIEISA-N 1 2 222.288 1.773 20 0 BDADLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)ccn1 ZINC000339863858 174981621 /nfs/dbraw/zinc/98/16/21/174981621.db2.gz BBLALTQTOPTFBV-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cc(C[N@H+]2CCOC[C@@H]2C)ccn1 ZINC000339863858 174981622 /nfs/dbraw/zinc/98/16/22/174981622.db2.gz BBLALTQTOPTFBV-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1C ZINC000295051323 175098334 /nfs/dbraw/zinc/09/83/34/175098334.db2.gz PNURYVIXXZOELS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1C ZINC000295051323 175098337 /nfs/dbraw/zinc/09/83/37/175098337.db2.gz PNURYVIXXZOELS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(OC)c(C[NH2+]Cc2cocn2)c1 ZINC000264542174 175165434 /nfs/dbraw/zinc/16/54/34/175165434.db2.gz AZCFBWHVWCUOAS-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO COc1ccc2nc(C[NH+](C)C)[nH]c2c1 ZINC000041580067 175228723 /nfs/dbraw/zinc/22/87/23/175228723.db2.gz MHLOYASYXRIKKI-UHFFFAOYSA-N 1 2 205.261 1.633 20 0 BDADLO COc1cccc2c(NC(CO)CO)cc[nH+]c12 ZINC000193484516 175299805 /nfs/dbraw/zinc/29/98/05/175299805.db2.gz KIIVLZWKEXBSOT-UHFFFAOYSA-N 1 2 248.282 1.009 20 0 BDADLO COc1ccccc1CCC[N@@H+]1CCNC(=O)C1 ZINC000182375111 175322765 /nfs/dbraw/zinc/32/27/65/175322765.db2.gz KZMYKYQIXXYLEK-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO COc1ccccc1CCC[N@H+]1CCNC(=O)C1 ZINC000182375111 175322767 /nfs/dbraw/zinc/32/27/67/175322767.db2.gz KZMYKYQIXXYLEK-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO COc1ccccc1C[NH2+]Cc1cocn1 ZINC000237179202 175330198 /nfs/dbraw/zinc/33/01/98/175330198.db2.gz KIOHHXKKPVGIRL-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO COc1ccnc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000330643561 175358070 /nfs/dbraw/zinc/35/80/70/175358070.db2.gz HBZUOYVUBVCVRV-LLVKDONJSA-N 1 2 235.287 1.590 20 0 BDADLO COc1ccnc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000330643561 175358072 /nfs/dbraw/zinc/35/80/72/175358072.db2.gz HBZUOYVUBVCVRV-LLVKDONJSA-N 1 2 235.287 1.590 20 0 BDADLO COc1cc[nH+]c(CN2CCC[C@@H]2C(N)=O)c1 ZINC000330643561 175358074 /nfs/dbraw/zinc/35/80/74/175358074.db2.gz HBZUOYVUBVCVRV-LLVKDONJSA-N 1 2 235.287 1.590 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CC[C@H](C)C1 ZINC000293010277 175370046 /nfs/dbraw/zinc/37/00/46/175370046.db2.gz OOCTULUNBRXSBX-JTQLQIEISA-N 1 2 249.314 1.642 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H]1C[C@H]1C ZINC000292506431 175371219 /nfs/dbraw/zinc/37/12/19/175371219.db2.gz CUVNMSJSAWBDSK-PSASIEDQSA-N 1 2 235.287 1.298 20 0 BDADLO COc1cc[nH+]cc1CNc1ncc(C)cn1 ZINC000292588739 175372713 /nfs/dbraw/zinc/37/27/13/175372713.db2.gz BAVACIYWOUWMJV-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO COc1cc[nH+]cc1CSCCCO ZINC000298248663 175373483 /nfs/dbraw/zinc/37/34/83/175373483.db2.gz MTUDPEDAMASZCL-UHFFFAOYSA-N 1 2 213.302 1.706 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000376354890 175375696 /nfs/dbraw/zinc/37/56/96/175375696.db2.gz CPRUNSXKMSWXIC-NOZJJQNGSA-N 1 2 248.282 1.455 20 0 BDADLO COc1cc[nH+]cc1Cn1nc(C)nc1C ZINC000288732607 175375793 /nfs/dbraw/zinc/37/57/93/175375793.db2.gz WRUBOZGZPKDMCO-UHFFFAOYSA-N 1 2 218.260 1.347 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccco1 ZINC000336364643 175376025 /nfs/dbraw/zinc/37/60/25/175376025.db2.gz PJCBSCKNDIRVLH-UHFFFAOYSA-N 1 2 218.212 1.936 20 0 BDADLO COc1ccsc1C[NH+]1CC(C)(OC)C1 ZINC000362313885 175377482 /nfs/dbraw/zinc/37/74/82/175377482.db2.gz XYQHVFNABIREAY-UHFFFAOYSA-N 1 2 227.329 1.977 20 0 BDADLO COc1cncc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000330843283 175385034 /nfs/dbraw/zinc/38/50/34/175385034.db2.gz MWLSBELZHOBIEC-LLVKDONJSA-N 1 2 235.287 1.590 20 0 BDADLO COc1cncc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000330843283 175385036 /nfs/dbraw/zinc/38/50/36/175385036.db2.gz MWLSBELZHOBIEC-LLVKDONJSA-N 1 2 235.287 1.590 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000290288844 175386054 /nfs/dbraw/zinc/38/60/54/175386054.db2.gz MSFNZKJIYPWMEM-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000290288844 175386055 /nfs/dbraw/zinc/38/60/55/175386055.db2.gz MSFNZKJIYPWMEM-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1nc(C)cc(C)c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368325972 175390568 /nfs/dbraw/zinc/39/05/68/175390568.db2.gz BPXFKHUGGDKISF-OLZOCXBDSA-N 1 2 248.326 1.680 20 0 BDADLO COc1nc(C)cc(C)c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368325972 175390570 /nfs/dbraw/zinc/39/05/70/175390570.db2.gz BPXFKHUGGDKISF-OLZOCXBDSA-N 1 2 248.326 1.680 20 0 BDADLO COc1[nH+]c2ccccc2c(N)c1OC ZINC000098213324 175396894 /nfs/dbraw/zinc/39/68/94/175396894.db2.gz GGRPPBDXKGLOHB-UHFFFAOYSA-N 1 2 204.229 1.834 20 0 BDADLO COc1ncc(C[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000337126797 175399538 /nfs/dbraw/zinc/39/95/38/175399538.db2.gz GIFFZAZUIVTUQL-SECBINFHSA-N 1 2 237.303 1.014 20 0 BDADLO COc1ncc(C[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000337126797 175399540 /nfs/dbraw/zinc/39/95/40/175399540.db2.gz GIFFZAZUIVTUQL-SECBINFHSA-N 1 2 237.303 1.014 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000277405422 175537168 /nfs/dbraw/zinc/53/71/68/175537168.db2.gz HIMZKSIHRVGTBK-IUCAKERBSA-N 1 2 241.360 1.975 20 0 BDADLO C[C@@H](CO)CNc1cc[nH+]c2ccncc12 ZINC000267913350 175744577 /nfs/dbraw/zinc/74/45/77/175744577.db2.gz AWWBEEPJQZMHMO-SECBINFHSA-N 1 2 217.272 1.670 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccncc1F ZINC000338377344 175834813 /nfs/dbraw/zinc/83/48/13/175834813.db2.gz USWISGIUMIEWJZ-SECBINFHSA-N 1 2 248.261 1.295 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)Cc1cnn(C)c1 ZINC000184398852 176034927 /nfs/dbraw/zinc/03/49/27/176034927.db2.gz LICSSKUYCFIGHE-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1cnn(C)c1 ZINC000184398852 176034929 /nfs/dbraw/zinc/03/49/29/176034929.db2.gz LICSSKUYCFIGHE-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2occc2c1 ZINC000289419542 176046706 /nfs/dbraw/zinc/04/67/06/176046706.db2.gz UODIBIPLNAKWOO-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2occc2c1 ZINC000289419542 176046709 /nfs/dbraw/zinc/04/67/09/176046709.db2.gz UODIBIPLNAKWOO-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO c1n[nH]c2c1C[N@H+](C[C@@H]1CCSC1)CCC2 ZINC000668840902 487632827 /nfs/dbraw/zinc/63/28/27/487632827.db2.gz KMVXTSBPBKJZKF-JTQLQIEISA-N 1 2 237.372 1.911 20 0 BDADLO c1n[nH]c2c1C[N@@H+](C[C@@H]1CCSC1)CCC2 ZINC000668840902 487632832 /nfs/dbraw/zinc/63/28/32/487632832.db2.gz KMVXTSBPBKJZKF-JTQLQIEISA-N 1 2 237.372 1.911 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000334877969 176060489 /nfs/dbraw/zinc/06/04/89/176060489.db2.gz KIJHTHOEYSZXMG-MWLCHTKSSA-N 1 2 219.288 1.628 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000334877969 176060491 /nfs/dbraw/zinc/06/04/91/176060491.db2.gz KIJHTHOEYSZXMG-MWLCHTKSSA-N 1 2 219.288 1.628 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336530122 176068094 /nfs/dbraw/zinc/06/80/94/176068094.db2.gz ZLRJCNRNZVWKMT-RKDXNWHRSA-N 1 2 232.274 1.385 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279211901 176091974 /nfs/dbraw/zinc/09/19/74/176091974.db2.gz NWMGBRCFKLYUGH-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000266516942 176104393 /nfs/dbraw/zinc/10/43/93/176104393.db2.gz YZOQHHDPSCXKHT-SNVBAGLBSA-N 1 2 207.277 1.284 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ncn[nH]1 ZINC000037919146 176113444 /nfs/dbraw/zinc/11/34/44/176113444.db2.gz FSJREQBALJRGSE-RKDXNWHRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000029594113 176141135 /nfs/dbraw/zinc/14/11/35/176141135.db2.gz HOJKTGIQLHIUCV-UTUOFQBUSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCc1[nH+]ccn1C ZINC000274444165 176147377 /nfs/dbraw/zinc/14/73/77/176147377.db2.gz LUVDWIWYYPBLCD-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)[C@H]1CO ZINC000332661615 176177376 /nfs/dbraw/zinc/17/73/76/176177376.db2.gz OBUUEKGWCXHXLN-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)[C@H]1CO ZINC000332661615 176177379 /nfs/dbraw/zinc/17/73/79/176177379.db2.gz OBUUEKGWCXHXLN-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000263786026 176182278 /nfs/dbraw/zinc/18/22/78/176182278.db2.gz ZWGQPLSMLSTYEO-MRVPVSSYSA-N 1 2 217.276 1.210 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@@](=O)[C@H](C)C2)O1 ZINC000354832500 176224825 /nfs/dbraw/zinc/22/48/25/176224825.db2.gz IHULHTUFOIDUMR-UYUMYWFVSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@@](=O)[C@H](C)C2)O1 ZINC000354832500 176224826 /nfs/dbraw/zinc/22/48/26/176224826.db2.gz IHULHTUFOIDUMR-UYUMYWFVSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000357980419 176225249 /nfs/dbraw/zinc/22/52/49/176225249.db2.gz AAXFUWRWNVCBEC-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000284164315 176241575 /nfs/dbraw/zinc/24/15/75/176241575.db2.gz XJECWJKZLGMPHS-HMDXOVGESA-N 1 2 235.287 1.060 20 0 BDADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000267695295 176245981 /nfs/dbraw/zinc/24/59/81/176245981.db2.gz QZAWKWSVTOPDNS-GHMZBOCLSA-N 1 2 221.304 1.388 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000279730770 176246452 /nfs/dbraw/zinc/24/64/52/176246452.db2.gz CNGFEBQCXAGULF-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCC1(F)F ZINC000291410731 176250088 /nfs/dbraw/zinc/25/00/88/176250088.db2.gz HSRBWDHNUYNSHC-SECBINFHSA-N 1 2 243.257 1.387 20 0 BDADLO C[C@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@H]1C ZINC000267751476 176251161 /nfs/dbraw/zinc/25/11/61/176251161.db2.gz PJXIAHSFQDOZDL-AOOOYVTPSA-N 1 2 236.319 1.218 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)[C@H](C)C[NH2+]1 ZINC000237645371 176259861 /nfs/dbraw/zinc/25/98/61/176259861.db2.gz IUXVSYXEOGQNOD-RKDXNWHRSA-N 1 2 248.330 1.110 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC(=O)N1 ZINC000295127780 176279988 /nfs/dbraw/zinc/27/99/88/176279988.db2.gz YCHWUZXVSUATHS-FZKGZDJFSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC(=O)N1 ZINC000295127780 176279989 /nfs/dbraw/zinc/27/99/89/176279989.db2.gz YCHWUZXVSUATHS-FZKGZDJFSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC(=O)N1C ZINC000282225445 176280593 /nfs/dbraw/zinc/28/05/93/176280593.db2.gz PCUADLXEZXTUDF-YSKGHYERSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC(=O)N1C ZINC000282225445 176280595 /nfs/dbraw/zinc/28/05/95/176280595.db2.gz PCUADLXEZXTUDF-YSKGHYERSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)[C@@H]1C ZINC000339582613 176283207 /nfs/dbraw/zinc/28/32/07/176283207.db2.gz YXHWUNQTQCXLKO-RNFRBKRXSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)[C@@H]1C ZINC000339582613 176283208 /nfs/dbraw/zinc/28/32/08/176283208.db2.gz YXHWUNQTQCXLKO-RNFRBKRXSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@H]2CCCCO2)CCC1=O ZINC000338565875 176292335 /nfs/dbraw/zinc/29/23/35/176292335.db2.gz BWOQPFRWYOTCEI-YPMHNXCESA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@H]2CCCCO2)CCC1=O ZINC000338565875 176292336 /nfs/dbraw/zinc/29/23/36/176292336.db2.gz BWOQPFRWYOTCEI-YPMHNXCESA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(=O)c(O)co2)CCS1 ZINC000124530292 176301999 /nfs/dbraw/zinc/30/19/99/176301999.db2.gz TXDIIILUZQTQPY-MRVPVSSYSA-N 1 2 241.312 1.283 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(=O)c(O)co2)CCS1 ZINC000124530292 176302001 /nfs/dbraw/zinc/30/20/01/176302001.db2.gz TXDIIILUZQTQPY-MRVPVSSYSA-N 1 2 241.312 1.283 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccs2)CC[S@](=O)C1 ZINC000277417158 176307122 /nfs/dbraw/zinc/30/71/22/176307122.db2.gz ITUXUZSOSYXIOS-BMIGLBTASA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccs2)CC[S@](=O)C1 ZINC000277417158 176307123 /nfs/dbraw/zinc/30/71/23/176307123.db2.gz ITUXUZSOSYXIOS-BMIGLBTASA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2)[C@H](C)CN1C ZINC000336492422 176308671 /nfs/dbraw/zinc/30/86/71/176308671.db2.gz CFYDQTPRJWANSW-VXGBXAGGSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2)[C@H](C)CN1C ZINC000336492422 176308673 /nfs/dbraw/zinc/30/86/73/176308673.db2.gz CFYDQTPRJWANSW-VXGBXAGGSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccsc2)CC[S@@](=O)C1 ZINC000277333634 176308833 /nfs/dbraw/zinc/30/88/33/176308833.db2.gz CTQYJMRLEAWCSN-MEBBXXQBSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccsc2)CC[S@@](=O)C1 ZINC000277333634 176308834 /nfs/dbraw/zinc/30/88/34/176308834.db2.gz CTQYJMRLEAWCSN-MEBBXXQBSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@H](C2CC2)O1 ZINC000279217924 176309761 /nfs/dbraw/zinc/30/97/61/176309761.db2.gz CONUWPZWZBKVEU-BXKDBHETSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@H](C2CC2)O1 ZINC000279217924 176309763 /nfs/dbraw/zinc/30/97/63/176309763.db2.gz CONUWPZWZBKVEU-BXKDBHETSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[NH+](Cc2csnn2)C[C@@H](C)S1 ZINC000120521289 176310660 /nfs/dbraw/zinc/31/06/60/176310660.db2.gz CKKKFNCZDWGELY-HTQZYQBOSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1CO ZINC000357674330 176319673 /nfs/dbraw/zinc/31/96/73/176319673.db2.gz NFSJJDZUIDPPER-MWLCHTKSSA-N 1 2 233.315 1.419 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](CO)O1 ZINC000299970632 176320858 /nfs/dbraw/zinc/32/08/58/176320858.db2.gz UMSGJGPGBVAJBN-NXEZZACHSA-N 1 2 247.298 1.149 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC000267648816 176322046 /nfs/dbraw/zinc/32/20/46/176322046.db2.gz LWQGXHPGZXELBP-DTORHVGOSA-N 1 2 231.303 1.456 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(C2CC2)no1 ZINC000336622818 176364452 /nfs/dbraw/zinc/36/44/52/176364452.db2.gz XBGRQAWZTQNUGP-HTQZYQBOSA-N 1 2 207.277 1.930 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734487 176365724 /nfs/dbraw/zinc/36/57/24/176365724.db2.gz BRDYXAJMZUBPCK-IWSPIJDZSA-N 1 2 224.308 1.377 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734487 176365725 /nfs/dbraw/zinc/36/57/25/176365725.db2.gz BRDYXAJMZUBPCK-IWSPIJDZSA-N 1 2 224.308 1.377 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000290934412 176365792 /nfs/dbraw/zinc/36/57/92/176365792.db2.gz NDOQHXUFCCIAJT-CKYFFXLPSA-N 1 2 249.314 1.039 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292458827 176393659 /nfs/dbraw/zinc/39/36/59/176393659.db2.gz OXKMOHNOAHQEGK-NXEZZACHSA-N 1 2 234.303 1.064 20 0 BDADLO C[C@@]1(O)CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000301904223 176544588 /nfs/dbraw/zinc/54/45/88/176544588.db2.gz PMEOZBDPHMPJPT-CYBMUJFWSA-N 1 2 244.298 1.173 20 0 BDADLO C[C@H]([NH2+]Cc1ccccn1)c1ccon1 ZINC000336766515 176878030 /nfs/dbraw/zinc/87/80/30/176878030.db2.gz SAYSCHYYXVTUQL-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000168353438 177009072 /nfs/dbraw/zinc/00/90/72/177009072.db2.gz HYXFHTUHCMNPRV-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000168353438 177009074 /nfs/dbraw/zinc/00/90/74/177009074.db2.gz HYXFHTUHCMNPRV-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H](O)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000272476333 177009743 /nfs/dbraw/zinc/00/97/43/177009743.db2.gz NWFPNNQEOKIBOB-GXSJLCMTSA-N 1 2 233.315 1.561 20 0 BDADLO C[C@H](O)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000272480603 177015482 /nfs/dbraw/zinc/01/54/82/177015482.db2.gz OKICWYPUJHAACT-QWRGUYRKSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCCC1 ZINC000170793680 177045597 /nfs/dbraw/zinc/04/55/97/177045597.db2.gz XCRHAGOOQWFQAQ-GFCCVEGCSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000170793680 177045598 /nfs/dbraw/zinc/04/55/98/177045598.db2.gz XCRHAGOOQWFQAQ-GFCCVEGCSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCOC2(CCC2)C1 ZINC000184704195 177051372 /nfs/dbraw/zinc/05/13/72/177051372.db2.gz TWAJYSYMUFWXMZ-LLVKDONJSA-N 1 2 233.315 1.793 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCOC2(CCC2)C1 ZINC000184704195 177051373 /nfs/dbraw/zinc/05/13/73/177051373.db2.gz TWAJYSYMUFWXMZ-LLVKDONJSA-N 1 2 233.315 1.793 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1F ZINC000137580727 177059741 /nfs/dbraw/zinc/05/97/41/177059741.db2.gz LCZUOYXSYFMQIO-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1F ZINC000137580727 177059742 /nfs/dbraw/zinc/05/97/42/177059742.db2.gz LCZUOYXSYFMQIO-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000377463639 177073293 /nfs/dbraw/zinc/07/32/93/177073293.db2.gz GOXJQZSVMAKEQO-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000362969300 177104471 /nfs/dbraw/zinc/10/44/71/177104471.db2.gz KLULLNYZAHQYHL-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000362969300 177104472 /nfs/dbraw/zinc/10/44/72/177104472.db2.gz KLULLNYZAHQYHL-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339165061 177123962 /nfs/dbraw/zinc/12/39/62/177123962.db2.gz PQDKRLXBMIVSNA-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288725814 177140895 /nfs/dbraw/zinc/14/08/95/177140895.db2.gz AQTOZQQNEXIIFA-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC[N@H+](Cc2csc(Cl)n2)[C@@H]1CO ZINC000295961703 177166488 /nfs/dbraw/zinc/16/64/88/177166488.db2.gz JOHAFYOTICOKKH-IONNQARKSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@@H]1CO ZINC000295961703 177166490 /nfs/dbraw/zinc/16/64/90/177166490.db2.gz JOHAFYOTICOKKH-IONNQARKSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[C@@H](CCC(=O)NCc2[nH]cc[nH+]2)O1 ZINC000266593458 177188334 /nfs/dbraw/zinc/18/83/34/177188334.db2.gz SZRLPDOOOXLNFJ-UWVGGRQHSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000287907988 177198118 /nfs/dbraw/zinc/19/81/18/177198118.db2.gz FVCMHTOCGOYWRU-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483501 177202069 /nfs/dbraw/zinc/20/20/69/177202069.db2.gz WNMMANOAPNQVCZ-WDEREUQCSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483501 177202071 /nfs/dbraw/zinc/20/20/71/177202071.db2.gz WNMMANOAPNQVCZ-WDEREUQCSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H]1CC[C@H](CN2CCc3c([nH+]cn3C)C2)O1 ZINC000375483501 177202072 /nfs/dbraw/zinc/20/20/72/177202072.db2.gz WNMMANOAPNQVCZ-WDEREUQCSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000336514168 177206534 /nfs/dbraw/zinc/20/65/34/177206534.db2.gz RXBZZOPBBASVFY-VHSXEESVSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000294384503 177215339 /nfs/dbraw/zinc/21/53/39/177215339.db2.gz XZOVVCCYQWQJQA-UWVGGRQHSA-N 1 2 221.304 1.220 20 0 BDADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000294054630 177216569 /nfs/dbraw/zinc/21/65/69/177216569.db2.gz KRWDTUDIXLNCAA-UWVGGRQHSA-N 1 2 207.277 1.140 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N(C)c2nccs2)[C@H]1C ZINC000293382613 177244154 /nfs/dbraw/zinc/24/41/54/177244154.db2.gz JZWKLSCXEKTWDJ-IUCAKERBSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N(C)c2nccs2)[C@H]1C ZINC000293382613 177244155 /nfs/dbraw/zinc/24/41/55/177244155.db2.gz JZWKLSCXEKTWDJ-IUCAKERBSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)c2cccn2C)[C@H]1C ZINC000293510833 177245653 /nfs/dbraw/zinc/24/56/53/177245653.db2.gz VCSGDUNIXLFLFQ-UWVGGRQHSA-N 1 2 206.289 1.548 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)c2cccn2C)[C@H]1C ZINC000293510833 177245654 /nfs/dbraw/zinc/24/56/54/177245654.db2.gz VCSGDUNIXLFLFQ-UWVGGRQHSA-N 1 2 206.289 1.548 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)O1 ZINC000362090708 177259208 /nfs/dbraw/zinc/25/92/08/177259208.db2.gz ZTBUDYJVXCSVDC-KEBCXIEDSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)O1 ZINC000362090708 177259210 /nfs/dbraw/zinc/25/92/10/177259210.db2.gz ZTBUDYJVXCSVDC-KEBCXIEDSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(O)c2)[C@@H](C)CN1C ZINC000336545052 177264681 /nfs/dbraw/zinc/26/46/81/177264681.db2.gz UZYUSMRSADSGDX-RYUDHWBXSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(O)c2)[C@@H](C)CN1C ZINC000336545052 177264685 /nfs/dbraw/zinc/26/46/85/177264685.db2.gz UZYUSMRSADSGDX-RYUDHWBXSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cncc(F)c1 ZINC000275117198 177268984 /nfs/dbraw/zinc/26/89/84/177268984.db2.gz ICOCWXKBBNTHHK-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cncc(F)c1 ZINC000275117198 177268985 /nfs/dbraw/zinc/26/89/85/177268985.db2.gz ICOCWXKBBNTHHK-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H](C)N1C ZINC000293514938 177269723 /nfs/dbraw/zinc/26/97/23/177269723.db2.gz AMDFVMKDOKHQAD-AOOOYVTPSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)C[C@H](C)N1C ZINC000293514938 177269725 /nfs/dbraw/zinc/26/97/25/177269725.db2.gz AMDFVMKDOKHQAD-AOOOYVTPSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000248132556 177271667 /nfs/dbraw/zinc/27/16/67/177271667.db2.gz NNABYRYVZCPIJL-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncnn2CCF)[C@H]1C ZINC000339572421 177272379 /nfs/dbraw/zinc/27/23/79/177272379.db2.gz VDPLXFJCEZIELN-IUCAKERBSA-N 1 2 212.272 1.088 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncnn2CCF)[C@H]1C ZINC000339572421 177272381 /nfs/dbraw/zinc/27/23/81/177272381.db2.gz VDPLXFJCEZIELN-IUCAKERBSA-N 1 2 212.272 1.088 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184396698 177273472 /nfs/dbraw/zinc/27/34/72/177273472.db2.gz HLXIMHSYNYUOHC-AXFHLTTASA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184396698 177273473 /nfs/dbraw/zinc/27/34/73/177273473.db2.gz HLXIMHSYNYUOHC-AXFHLTTASA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349763 177275755 /nfs/dbraw/zinc/27/57/55/177275755.db2.gz HHPJUWWIYGIKJZ-CMPLNLGQSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349763 177275757 /nfs/dbraw/zinc/27/57/57/177275757.db2.gz HHPJUWWIYGIKJZ-CMPLNLGQSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)C(C)(C)C1 ZINC000267104725 177279164 /nfs/dbraw/zinc/27/91/64/177279164.db2.gz XJWQZTRIPHIXEV-SECBINFHSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc(F)c2)[C@@H](C)CO1 ZINC000275117195 177302066 /nfs/dbraw/zinc/30/20/66/177302066.db2.gz ICOCWXKBBNTHHK-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc(F)c2)[C@@H](C)CO1 ZINC000275117195 177302069 /nfs/dbraw/zinc/30/20/69/177302069.db2.gz ICOCWXKBBNTHHK-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)c2nccn21 ZINC000345353955 177333519 /nfs/dbraw/zinc/33/35/19/177333519.db2.gz RLIWHUCAEYLWNC-GXSJLCMTSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)c2nccn21 ZINC000345340356 177333923 /nfs/dbraw/zinc/33/39/23/177333923.db2.gz CNJVNWBPOYEIEG-GXSJLCMTSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279175649 177343127 /nfs/dbraw/zinc/34/31/27/177343127.db2.gz JROYZDJFOYJRME-DTWKUNHWSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000336777186 177356806 /nfs/dbraw/zinc/35/68/06/177356806.db2.gz HPQRRWKDNDWELG-HRDYMLBCSA-N 1 2 224.308 1.425 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCc1[nH+]ccn1C ZINC000354257265 177378800 /nfs/dbraw/zinc/37/88/00/177378800.db2.gz VHPLFARTYGGUJT-IUCAKERBSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292458833 177380245 /nfs/dbraw/zinc/38/02/45/177380245.db2.gz OXKMOHNOAHQEGK-UWVGGRQHSA-N 1 2 234.303 1.064 20 0 BDADLO C[C@H]1C[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000075979469 177383993 /nfs/dbraw/zinc/38/39/93/177383993.db2.gz FUEHFDKNQDAYKO-GXSJLCMTSA-N 1 2 248.330 1.355 20 0 BDADLO CN(C(N)=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000487156462 225289326 /nfs/dbraw/zinc/28/93/26/225289326.db2.gz KACOBUWDMLJSST-UHFFFAOYSA-N 1 2 245.286 1.537 20 0 BDADLO Cc1nc(N(C)C)nc(NC2(C)CCCC2)[nH+]1 ZINC000488385196 225389758 /nfs/dbraw/zinc/38/97/58/225389758.db2.gz KVVVPLORSMUSTO-UHFFFAOYSA-N 1 2 235.335 1.991 20 0 BDADLO Cc1nc(NC2(C)CCCC2)nc(N(C)C)[nH+]1 ZINC000488385196 225389762 /nfs/dbraw/zinc/38/97/62/225389762.db2.gz KVVVPLORSMUSTO-UHFFFAOYSA-N 1 2 235.335 1.991 20 0 BDADLO FC(F)Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000488153889 225352058 /nfs/dbraw/zinc/35/20/58/225352058.db2.gz TUFHJGLVWZBWFR-IUCAKERBSA-N 1 2 242.273 1.528 20 0 BDADLO FC(F)Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000488153889 225352061 /nfs/dbraw/zinc/35/20/61/225352061.db2.gz TUFHJGLVWZBWFR-IUCAKERBSA-N 1 2 242.273 1.528 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@H]2CCC[C@H]21 ZINC000492774599 226050089 /nfs/dbraw/zinc/05/00/89/226050089.db2.gz XBNNRJCSFDTZBK-JYYSYOFASA-N 1 2 247.298 1.203 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cscn1 ZINC000492857376 226066710 /nfs/dbraw/zinc/06/67/10/226066710.db2.gz KDNDXQKXXKLUGY-UPHRSURJSA-N 1 2 248.311 1.238 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccon1 ZINC000492856052 226067594 /nfs/dbraw/zinc/06/75/94/226067594.db2.gz BJKMUVNCBZBECH-KZUAUGPASA-N 1 2 232.243 1.288 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ncccc1F ZINC000492860424 226068885 /nfs/dbraw/zinc/06/88/85/226068885.db2.gz IBXQQTATOWIRFB-ONEGZZNKSA-N 1 2 246.245 1.273 20 0 BDADLO Cc1occc1CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861912 226070177 /nfs/dbraw/zinc/07/01/77/226070177.db2.gz KCHHIIHXBWJADP-ARJAWSKDSA-N 1 2 245.282 1.983 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(F)nc1 ZINC000492862363 226070660 /nfs/dbraw/zinc/07/06/60/226070660.db2.gz KMRZATPHQNYQPN-DUXPYHPUSA-N 1 2 232.218 1.596 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000492871264 226071447 /nfs/dbraw/zinc/07/14/47/226071447.db2.gz XBNNRJCSFDTZBK-KBIXYVOKSA-N 1 2 247.298 1.203 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493293388 226177598 /nfs/dbraw/zinc/17/75/98/226177598.db2.gz URORRGDDBWLLHT-HWKXXFMVSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@H](C[C@@H]1CCCO1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493155285 226140777 /nfs/dbraw/zinc/14/07/77/226140777.db2.gz CUJSYQFFXNIITI-PRANIUCASA-N 1 2 249.314 1.497 20 0 BDADLO CO[C@@H]([C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493226405 226160674 /nfs/dbraw/zinc/16/06/74/226160674.db2.gz VJFQWVLQQYTUHA-CFQAULHUSA-N 1 2 249.314 1.353 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000493253154 226166833 /nfs/dbraw/zinc/16/68/33/226166833.db2.gz KPPUMUNAOWGAMQ-JZEAAEPLSA-N 1 2 247.298 1.107 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC[C@H]1CCOC1 ZINC000493367557 226197761 /nfs/dbraw/zinc/19/77/61/226197761.db2.gz KCWGIXPQWQPHNQ-BYCRGOAPSA-N 1 2 249.314 1.356 20 0 BDADLO C[C@H](O)[C@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493375513 226198425 /nfs/dbraw/zinc/19/84/25/226198425.db2.gz YYCCIDLPEIDCFU-NNOMMRTBSA-N 1 2 249.314 1.042 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@H](CO)C1 ZINC000493469820 226225301 /nfs/dbraw/zinc/22/53/01/226225301.db2.gz YBMMZZLCYQYRHI-BXXZLRJFSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(/C=C\C1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000493478325 226228449 /nfs/dbraw/zinc/22/84/49/226228449.db2.gz AVDPBOBSZKSHSC-XICOKMJESA-N 1 2 231.299 1.349 20 0 BDADLO O=C(C=CC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000493478325 226228452 /nfs/dbraw/zinc/22/84/52/226228452.db2.gz AVDPBOBSZKSHSC-XICOKMJESA-N 1 2 231.299 1.349 20 0 BDADLO C[C@@H](CCCCO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493493586 226231999 /nfs/dbraw/zinc/23/19/99/226231999.db2.gz LUCGKQNZTGVJFN-PORFMDCZSA-N 1 2 237.303 1.090 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(C(F)F)CC1 ZINC000493640370 226247045 /nfs/dbraw/zinc/24/70/45/226247045.db2.gz HISCPVANQAHJCM-OWOJBTEDSA-N 1 2 241.241 1.584 20 0 BDADLO Cc1csc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493678626 226249049 /nfs/dbraw/zinc/24/90/49/226249049.db2.gz VYKURRWFAQEMFO-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H]1C(F)F ZINC000493739036 226251822 /nfs/dbraw/zinc/25/18/22/226251822.db2.gz KJQOUISNPUHXRV-MPJRPATESA-N 1 2 241.241 1.679 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1C=CCCC1 ZINC000493847204 226257073 /nfs/dbraw/zinc/25/70/73/226257073.db2.gz FYDACOUJXAKPCJ-FGEFZZPRSA-N 1 2 217.272 1.648 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)OCC1CC1 ZINC000496239761 226299828 /nfs/dbraw/zinc/29/98/28/226299828.db2.gz ZJUFPBHMGCRJJA-UHFFFAOYSA-N 1 2 245.282 1.971 20 0 BDADLO CN(C[C@@H]1COCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000664338520 487659552 /nfs/dbraw/zinc/65/95/52/487659552.db2.gz ULEOKKMHMLQVJP-LLVKDONJSA-N 1 2 249.314 1.206 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccn(C)n1 ZINC000655777006 487670617 /nfs/dbraw/zinc/67/06/17/487670617.db2.gz PBJGLOYPFWVRFA-PWSUYJOCSA-N 1 2 245.330 1.802 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)o1 ZINC000510110262 229293089 /nfs/dbraw/zinc/29/30/89/229293089.db2.gz WWSCCAPPMXGRRV-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)o1 ZINC000510110262 229293095 /nfs/dbraw/zinc/29/30/95/229293095.db2.gz WWSCCAPPMXGRRV-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1cc(N[C@H]2CCc3c[nH]nc3C2)nc[nH+]1 ZINC000675157942 487675680 /nfs/dbraw/zinc/67/56/80/487675680.db2.gz FCZNLUPIKRNPDL-NSHDSACASA-N 1 2 243.314 1.732 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661511260 487677966 /nfs/dbraw/zinc/67/79/66/487677966.db2.gz KNWYFZKXJCSYBE-QWHCGFSZSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661511260 487677968 /nfs/dbraw/zinc/67/79/68/487677968.db2.gz KNWYFZKXJCSYBE-QWHCGFSZSA-N 1 2 248.301 1.803 20 0 BDADLO FCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000671682241 487688393 /nfs/dbraw/zinc/68/83/93/487688393.db2.gz IMFFPRFVQVPWIU-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO FCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000671682241 487688396 /nfs/dbraw/zinc/68/83/96/487688396.db2.gz IMFFPRFVQVPWIU-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO CCOC1CC(C[N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000671688762 487692589 /nfs/dbraw/zinc/69/25/89/487692589.db2.gz KGHKUMSTPGYXHO-HSOILSAZSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1CC(C[N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000671688762 487692596 /nfs/dbraw/zinc/69/25/96/487692596.db2.gz KGHKUMSTPGYXHO-HSOILSAZSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000526931635 262797750 /nfs/dbraw/zinc/79/77/50/262797750.db2.gz NPPOYJZYJJOPNE-AXFHLTTASA-N 1 2 233.315 1.455 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)ccn1 ZINC000527539277 262856060 /nfs/dbraw/zinc/85/60/60/262856060.db2.gz QBXATLNMMONWBQ-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)ccn1 ZINC000527539277 262856061 /nfs/dbraw/zinc/85/60/61/262856061.db2.gz QBXATLNMMONWBQ-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccsc2C)n1 ZINC000527735297 262877889 /nfs/dbraw/zinc/87/78/89/262877889.db2.gz MKOHQWNVUSXAPJ-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N(C)C ZINC000528823420 262976629 /nfs/dbraw/zinc/97/66/29/262976629.db2.gz AWLBLXVUJHLKRI-IUCAKERBSA-N 1 2 239.294 1.348 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@H]2C2CC2)c(C)o1 ZINC000660151190 487701131 /nfs/dbraw/zinc/70/11/31/487701131.db2.gz QDISUWMWFYBIFI-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@H]2C2CC2)c(C)o1 ZINC000660151190 487701135 /nfs/dbraw/zinc/70/11/35/487701135.db2.gz QDISUWMWFYBIFI-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671710509 487702431 /nfs/dbraw/zinc/70/24/31/487702431.db2.gz GNPHWWSJTCBKGC-YIZRAAEISA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671710509 487702437 /nfs/dbraw/zinc/70/24/37/487702437.db2.gz GNPHWWSJTCBKGC-YIZRAAEISA-N 1 2 241.253 1.673 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCF ZINC000671711038 487702835 /nfs/dbraw/zinc/70/28/35/487702835.db2.gz SBHHVEQVQOSCBL-SFYZADRCSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCF ZINC000671711038 487702838 /nfs/dbraw/zinc/70/28/38/487702838.db2.gz SBHHVEQVQOSCBL-SFYZADRCSA-N 1 2 229.217 1.998 20 0 BDADLO CCc1cc(N)nc(S[C@H](C)OC)[nH+]1 ZINC000901546001 584463902 /nfs/dbraw/zinc/46/39/02/584463902.db2.gz ATGAOZAPFWZTTK-ZCFIWIBFSA-N 1 2 213.306 1.706 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CCCC2 ZINC000353956565 487710155 /nfs/dbraw/zinc/71/01/55/487710155.db2.gz VBHFNADGUHIEMS-NEPJUHHUSA-N 1 2 247.342 1.968 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000681097894 487722487 /nfs/dbraw/zinc/72/24/87/487722487.db2.gz SJDXNUJRCSIZRZ-AXFHLTTASA-N 1 2 233.315 1.392 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000681105710 487725602 /nfs/dbraw/zinc/72/56/02/487725602.db2.gz GRLBWWKJDQUKCG-CYDGBPFRSA-N 1 2 247.342 1.949 20 0 BDADLO CC[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665688636 487730841 /nfs/dbraw/zinc/73/08/41/487730841.db2.gz ZZWXIJQRUWPOBR-SSDOTTSWSA-N 1 2 208.265 1.491 20 0 BDADLO CC[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665688636 487730847 /nfs/dbraw/zinc/73/08/47/487730847.db2.gz ZZWXIJQRUWPOBR-SSDOTTSWSA-N 1 2 208.265 1.491 20 0 BDADLO c1cc(CNc2nc[nH+]c3c2OCCN3)cs1 ZINC000665692084 487731493 /nfs/dbraw/zinc/73/14/93/487731493.db2.gz LJJMTVXILZWTND-UHFFFAOYSA-N 1 2 248.311 1.955 20 0 BDADLO c1cc(CNc2[nH+]cnc3c2OCCN3)cs1 ZINC000665692084 487731500 /nfs/dbraw/zinc/73/15/00/487731500.db2.gz LJJMTVXILZWTND-UHFFFAOYSA-N 1 2 248.311 1.955 20 0 BDADLO CC1(C)C[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665694002 487733364 /nfs/dbraw/zinc/73/33/64/487733364.db2.gz BRNGSYKOFDHUEQ-SSDOTTSWSA-N 1 2 220.276 1.491 20 0 BDADLO CC1(C)C[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665694002 487733368 /nfs/dbraw/zinc/73/33/68/487733368.db2.gz BRNGSYKOFDHUEQ-SSDOTTSWSA-N 1 2 220.276 1.491 20 0 BDADLO CC[C@H](C)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000665700510 487735204 /nfs/dbraw/zinc/73/52/04/487735204.db2.gz CBPPNFYITREMIZ-VIFPVBQESA-N 1 2 236.319 1.763 20 0 BDADLO CC[C@H](C)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000665700510 487735208 /nfs/dbraw/zinc/73/52/08/487735208.db2.gz CBPPNFYITREMIZ-VIFPVBQESA-N 1 2 236.319 1.763 20 0 BDADLO C[C@H]1CN(c2nc[nH+]c3c2OCCN3)CC[C@@H]1C ZINC000665709643 487736616 /nfs/dbraw/zinc/73/66/16/487736616.db2.gz RNPWOPISGZHUEU-UWVGGRQHSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2OCCN3)CC[C@@H]1C ZINC000665709643 487736620 /nfs/dbraw/zinc/73/66/20/487736620.db2.gz RNPWOPISGZHUEU-UWVGGRQHSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000665714098 487738067 /nfs/dbraw/zinc/73/80/67/487738067.db2.gz SPOGRZTWDWLISH-PSASIEDQSA-N 1 2 234.303 1.010 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000665714098 487738070 /nfs/dbraw/zinc/73/80/70/487738070.db2.gz SPOGRZTWDWLISH-PSASIEDQSA-N 1 2 234.303 1.010 20 0 BDADLO c1nc(N2CCC3(CC3)C2)c2c([nH+]1)NCCO2 ZINC000665716861 487739325 /nfs/dbraw/zinc/73/93/25/487739325.db2.gz MRSRCRQWSMIDCP-UHFFFAOYSA-N 1 2 232.287 1.271 20 0 BDADLO c1nc2c(c(N3CCC4(CC4)C3)[nH+]1)OCCN2 ZINC000665716861 487739331 /nfs/dbraw/zinc/73/93/31/487739331.db2.gz MRSRCRQWSMIDCP-UHFFFAOYSA-N 1 2 232.287 1.271 20 0 BDADLO CCc1nnc(C[N@H+](CCO)CC(C)(C)C)[nH]1 ZINC000681209216 487748844 /nfs/dbraw/zinc/74/88/44/487748844.db2.gz BHXPPNBMRJFWMP-UHFFFAOYSA-N 1 2 240.351 1.208 20 0 BDADLO CCc1nnc(C[N@@H+](CCO)CC(C)(C)C)[nH]1 ZINC000681209216 487748846 /nfs/dbraw/zinc/74/88/46/487748846.db2.gz BHXPPNBMRJFWMP-UHFFFAOYSA-N 1 2 240.351 1.208 20 0 BDADLO C[C@@H](CCCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651479400 487751639 /nfs/dbraw/zinc/75/16/39/487751639.db2.gz YVOQUZLCEBXKNE-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO CC(C)(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000146148327 487761873 /nfs/dbraw/zinc/76/18/73/487761873.db2.gz OURNFJUOCBMDRJ-UHFFFAOYSA-N 1 2 202.261 1.960 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](OC(F)F)C2)nc1 ZINC000555072622 487767948 /nfs/dbraw/zinc/76/79/48/487767948.db2.gz AEXWQUQGEMFSID-VIFPVBQESA-N 1 2 243.257 1.599 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](OC(F)F)C2)nc1 ZINC000555072622 487767955 /nfs/dbraw/zinc/76/79/55/487767955.db2.gz AEXWQUQGEMFSID-VIFPVBQESA-N 1 2 243.257 1.599 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668448279 487770281 /nfs/dbraw/zinc/77/02/81/487770281.db2.gz NAXHTXNRTJVLNZ-MXWKQRLJSA-N 1 2 233.315 1.804 20 0 BDADLO C[N@H+](CCF)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000759346092 585370147 /nfs/dbraw/zinc/37/01/47/585370147.db2.gz WHQXUQWHAGECSW-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO C[N@@H+](CCF)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000759346092 585370148 /nfs/dbraw/zinc/37/01/48/585370148.db2.gz WHQXUQWHAGECSW-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO COCC1(C)C[NH+](Cc2ccncc2F)C1 ZINC000459619247 487779426 /nfs/dbraw/zinc/77/94/26/487779426.db2.gz FHSCAERKUBPFIJ-UHFFFAOYSA-N 1 2 224.279 1.689 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CC12CCC2 ZINC000681343165 487781054 /nfs/dbraw/zinc/78/10/54/487781054.db2.gz KUYRJEGIKFSNOV-LLVKDONJSA-N 1 2 233.315 1.269 20 0 BDADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)c1ccco1 ZINC000681343531 487780602 /nfs/dbraw/zinc/78/06/02/487780602.db2.gz SJWOTNSSMGHCTH-SNVBAGLBSA-N 1 2 247.298 1.476 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000763911335 585456908 /nfs/dbraw/zinc/45/69/08/585456908.db2.gz KWJJRLAZDUWXDM-LVCFMKKZSA-N 1 2 237.752 1.248 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000763911335 585456909 /nfs/dbraw/zinc/45/69/09/585456909.db2.gz KWJJRLAZDUWXDM-LVCFMKKZSA-N 1 2 237.752 1.248 20 0 BDADLO Cc1[nH]ccc1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681358166 487783848 /nfs/dbraw/zinc/78/38/48/487783848.db2.gz SCOINMPPPCRPRY-UHFFFAOYSA-N 1 2 244.298 1.458 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCC2(CC2)C1 ZINC000666353265 487791900 /nfs/dbraw/zinc/79/19/00/487791900.db2.gz RIJQKMFYVLLGAG-GFCCVEGCSA-N 1 2 247.342 1.970 20 0 BDADLO COCCC1C[NH+](Cc2[nH]ncc2C)C1 ZINC000668472410 487796681 /nfs/dbraw/zinc/79/66/81/487796681.db2.gz YZSTYNBUYXXWGD-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675968490 487798197 /nfs/dbraw/zinc/79/81/97/487798197.db2.gz QVVQXQGLMTTXRW-STQMWFEESA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675968490 487798199 /nfs/dbraw/zinc/79/81/99/487798199.db2.gz QVVQXQGLMTTXRW-STQMWFEESA-N 1 2 248.301 1.851 20 0 BDADLO CCc1cc(N(C)CCCn2cc[nH+]c2)ncn1 ZINC000676031059 487800915 /nfs/dbraw/zinc/80/09/15/487800915.db2.gz ZSZWLEIQMZXLNX-UHFFFAOYSA-N 1 2 245.330 1.762 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1occ2c1CCC2 ZINC000671757033 487809769 /nfs/dbraw/zinc/80/97/69/487809769.db2.gz LAGODBRYBDRDHF-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000649883704 487812737 /nfs/dbraw/zinc/81/27/37/487812737.db2.gz ZLDYMNAVNNRROZ-CYBMUJFWSA-N 1 2 235.331 1.594 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CC1CCC1 ZINC000649883704 487812742 /nfs/dbraw/zinc/81/27/42/487812742.db2.gz ZLDYMNAVNNRROZ-CYBMUJFWSA-N 1 2 235.331 1.594 20 0 BDADLO CC(=O)c1nc(Cn2cc[nH+]c2)sc1C ZINC000307495092 487813691 /nfs/dbraw/zinc/81/36/91/487813691.db2.gz JFOORXKFLGUKNV-UHFFFAOYSA-N 1 2 221.285 1.899 20 0 BDADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676119357 487815841 /nfs/dbraw/zinc/81/58/41/487815841.db2.gz VKAAYOJOULFFFX-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676119357 487815842 /nfs/dbraw/zinc/81/58/42/487815842.db2.gz VKAAYOJOULFFFX-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000681582102 487817337 /nfs/dbraw/zinc/81/73/37/487817337.db2.gz QBOAGTCMKPOPBH-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000669427163 487817484 /nfs/dbraw/zinc/81/74/84/487817484.db2.gz VYNDDCBMVJLHAF-OVYXKVPISA-N 1 2 209.293 1.282 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681583665 487818291 /nfs/dbraw/zinc/81/82/91/487818291.db2.gz GLIAZMGEYOBRFI-GHMZBOCLSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)C2(CO)CC2)cc[nH+]1 ZINC000666491926 487820625 /nfs/dbraw/zinc/82/06/25/487820625.db2.gz HMUOSXPRHCNDOD-SNVBAGLBSA-N 1 2 249.314 1.094 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@@H](n3cncn3)C2)o1 ZINC000681604036 487823020 /nfs/dbraw/zinc/82/30/20/487823020.db2.gz KDXQXMNRBSOKIV-SNVBAGLBSA-N 1 2 247.302 1.276 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@@H](n3cncn3)C2)o1 ZINC000681604036 487823029 /nfs/dbraw/zinc/82/30/29/487823029.db2.gz KDXQXMNRBSOKIV-SNVBAGLBSA-N 1 2 247.302 1.276 20 0 BDADLO CC[C@@H](C)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789612785 585946724 /nfs/dbraw/zinc/94/67/24/585946724.db2.gz VLKBYOIXXGUICP-BDAKNGLRSA-N 1 2 200.282 1.710 20 0 BDADLO Cc1ccc(NC(=O)NCc2[nH+]ccn2C)cn1 ZINC000676267273 487829831 /nfs/dbraw/zinc/82/98/31/487829831.db2.gz GPFBMGANHBLQQC-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO O=C(NCCC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681651563 487830711 /nfs/dbraw/zinc/83/07/11/487830711.db2.gz QGQSATAKIYECTA-LLVKDONJSA-N 1 2 248.330 1.297 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cn(C2CCC2)nn1 ZINC000668090832 487834885 /nfs/dbraw/zinc/83/48/85/487834885.db2.gz UBQCPZDOEOQNRZ-NXEZZACHSA-N 1 2 220.320 1.986 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000668995966 487844991 /nfs/dbraw/zinc/84/49/91/487844991.db2.gz SBCVOXQTCWSFNX-ONGXEEELSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000668995966 487844994 /nfs/dbraw/zinc/84/49/94/487844994.db2.gz SBCVOXQTCWSFNX-ONGXEEELSA-N 1 2 237.303 1.231 20 0 BDADLO FC[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000880300807 590997414 /nfs/dbraw/zinc/99/74/14/590997414.db2.gz XBNPTDUEDGARAL-SSDOTTSWSA-N 1 2 201.270 1.330 20 0 BDADLO FC[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000880300807 590997416 /nfs/dbraw/zinc/99/74/16/590997416.db2.gz XBNPTDUEDGARAL-SSDOTTSWSA-N 1 2 201.270 1.330 20 0 BDADLO CC(=O)C(C)(C)CCC(=O)N1CC[NH+](C)CC1 ZINC000676485479 487854328 /nfs/dbraw/zinc/85/43/28/487854328.db2.gz PAIQTYQXKKHWJI-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668498259 487855534 /nfs/dbraw/zinc/85/55/34/487855534.db2.gz PEVSOEAPBVXHAQ-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668498259 487855537 /nfs/dbraw/zinc/85/55/37/487855537.db2.gz PEVSOEAPBVXHAQ-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO CCO/C=C\C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000493797661 487857748 /nfs/dbraw/zinc/85/77/48/487857748.db2.gz XZQBQZBOYNZTEW-WAYWQWQTSA-N 1 2 234.299 1.865 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000676539117 487870718 /nfs/dbraw/zinc/87/07/18/487870718.db2.gz PGNBWRRLIBCRJF-DTWKUNHWSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000676539117 487870722 /nfs/dbraw/zinc/87/07/22/487870722.db2.gz PGNBWRRLIBCRJF-DTWKUNHWSA-N 1 2 237.290 1.095 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2nccn2C)C1 ZINC000668513192 487874316 /nfs/dbraw/zinc/87/43/16/487874316.db2.gz FBPBIJGNJJCDML-UHFFFAOYSA-N 1 2 249.358 1.669 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC1CC1 ZINC000682032767 487885250 /nfs/dbraw/zinc/88/52/50/487885250.db2.gz JOTTXXSWVKEYSW-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC1CC1 ZINC000682032767 487885252 /nfs/dbraw/zinc/88/52/52/487885252.db2.gz JOTTXXSWVKEYSW-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000676686536 487892059 /nfs/dbraw/zinc/89/20/59/487892059.db2.gz PFSHCOOTMIFQGP-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cn[nH]c2)nc1 ZINC000676704987 487895942 /nfs/dbraw/zinc/89/59/42/487895942.db2.gz VSZTZOPBWIOEPR-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cn[nH]c2)nc1 ZINC000676704987 487895945 /nfs/dbraw/zinc/89/59/45/487895945.db2.gz VSZTZOPBWIOEPR-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000416328272 487896843 /nfs/dbraw/zinc/89/68/43/487896843.db2.gz ZSZUBUQDTIVQJD-OUAUKWLOSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000416328272 487896846 /nfs/dbraw/zinc/89/68/46/487896846.db2.gz ZSZUBUQDTIVQJD-OUAUKWLOSA-N 1 2 235.331 1.845 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC=CCC1 ZINC000679323486 487903279 /nfs/dbraw/zinc/90/32/79/487903279.db2.gz XXKZPRNIXCLGFW-UHFFFAOYSA-N 1 2 221.308 1.235 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC=CCC1 ZINC000679323486 487903286 /nfs/dbraw/zinc/90/32/86/487903286.db2.gz XXKZPRNIXCLGFW-UHFFFAOYSA-N 1 2 221.308 1.235 20 0 BDADLO CCc1cnc(C[N@@H+]2CCCOC[C@@H]2C)o1 ZINC000676715309 487903673 /nfs/dbraw/zinc/90/36/73/487903673.db2.gz ZZHUWDQZBRHALE-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCCOC[C@@H]2C)o1 ZINC000676715309 487903676 /nfs/dbraw/zinc/90/36/76/487903676.db2.gz ZZHUWDQZBRHALE-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO C[C@@H](NC(=O)CC(F)(F)F)c1[nH]cc[nH+]1 ZINC000125404180 487904317 /nfs/dbraw/zinc/90/43/17/487904317.db2.gz STSPPVMODDDIGB-RXMQYKEDSA-N 1 2 221.182 1.539 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000669041422 487909636 /nfs/dbraw/zinc/90/96/36/487909636.db2.gz DHRRJBUFUGMFEY-QJPTWQEYSA-N 1 2 249.358 1.932 20 0 BDADLO OCc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000227463983 487914608 /nfs/dbraw/zinc/91/46/08/487914608.db2.gz JGRWIHPGILGIRS-UHFFFAOYSA-N 1 2 217.272 1.192 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC000682165629 487923299 /nfs/dbraw/zinc/92/32/99/487923299.db2.gz XGUNTSXDHRLPFN-MXWKQRLJSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC000682165629 487923303 /nfs/dbraw/zinc/92/33/03/487923303.db2.gz XGUNTSXDHRLPFN-MXWKQRLJSA-N 1 2 249.301 1.503 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676791755 487929085 /nfs/dbraw/zinc/92/90/85/487929085.db2.gz APBXJICNWVARPJ-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000676791755 487929090 /nfs/dbraw/zinc/92/90/90/487929090.db2.gz APBXJICNWVARPJ-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000676794223 487930118 /nfs/dbraw/zinc/93/01/18/487930118.db2.gz ARQFODDUIKFWNX-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000676794223 487930122 /nfs/dbraw/zinc/93/01/22/487930122.db2.gz ARQFODDUIKFWNX-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@H](O)C1 ZINC000667060864 487935646 /nfs/dbraw/zinc/93/56/46/487935646.db2.gz BQRRJYUNOCFAIP-MGCOHNPYSA-N 1 2 235.287 1.343 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1C2CCC1CC2 ZINC000676842435 487936138 /nfs/dbraw/zinc/93/61/38/487936138.db2.gz RRIQGKIMHKBSLD-UNXYVOJBSA-N 1 2 245.326 1.599 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)C ZINC000667094268 487938291 /nfs/dbraw/zinc/93/82/91/487938291.db2.gz UNIHKFYOTYNFPU-NXEZZACHSA-N 1 2 235.331 1.686 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(CO)o2)C[C@@H]1F ZINC000679360869 487940413 /nfs/dbraw/zinc/94/04/13/487940413.db2.gz WCAKZKQOMMFZDD-SKDRFNHKSA-N 1 2 227.279 1.952 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C[C@@H]1F ZINC000679360869 487940416 /nfs/dbraw/zinc/94/04/16/487940416.db2.gz WCAKZKQOMMFZDD-SKDRFNHKSA-N 1 2 227.279 1.952 20 0 BDADLO CC(C)c1nc(NCc2ncn(C)n2)cc[nH+]1 ZINC000121037404 490073760 /nfs/dbraw/zinc/07/37/60/490073760.db2.gz HFWCDEKMPZBJNM-UHFFFAOYSA-N 1 2 232.291 1.341 20 0 BDADLO C[C@@H](Cc1ccsc1)NC(=O)Cn1cc[nH+]c1 ZINC000569539105 322969215 /nfs/dbraw/zinc/96/92/15/322969215.db2.gz JXLOSMXRSBIVEO-JTQLQIEISA-N 1 2 249.339 1.692 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129583636 323008872 /nfs/dbraw/zinc/00/88/72/323008872.db2.gz FIRXHRLXJPSUJN-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129583636 323008873 /nfs/dbraw/zinc/00/88/73/323008873.db2.gz FIRXHRLXJPSUJN-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO Cc1ccc(F)c(NC(=O)Cn2cc[nH+]c2)c1 ZINC000562272889 323014336 /nfs/dbraw/zinc/01/43/36/323014336.db2.gz MGHJRKRGRDMJQR-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO Cc1ncsc1NC(=O)Cn1cc[nH+]c1 ZINC000562276301 323014545 /nfs/dbraw/zinc/01/45/45/323014545.db2.gz FRXZPKFUPWIMLK-UHFFFAOYSA-N 1 2 222.273 1.287 20 0 BDADLO COC[C@@H](C)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000562670910 323027135 /nfs/dbraw/zinc/02/71/35/323027135.db2.gz YDVCECYTPDERSX-DTWKUNHWSA-N 1 2 225.279 1.217 20 0 BDADLO COC[C@@H](C)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000562670910 323027136 /nfs/dbraw/zinc/02/71/36/323027136.db2.gz YDVCECYTPDERSX-DTWKUNHWSA-N 1 2 225.279 1.217 20 0 BDADLO c1cnc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000562687724 323027699 /nfs/dbraw/zinc/02/76/99/323027699.db2.gz SMGIDXASYRUCJD-KGLIPLIRSA-N 1 2 245.326 1.620 20 0 BDADLO c1cnc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000562687724 323027700 /nfs/dbraw/zinc/02/77/00/323027700.db2.gz SMGIDXASYRUCJD-KGLIPLIRSA-N 1 2 245.326 1.620 20 0 BDADLO CCO[C@@H]1C[C@@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000562939818 323034309 /nfs/dbraw/zinc/03/43/09/323034309.db2.gz PKQIINOLGCYLBX-WCBMZHEXSA-N 1 2 243.738 1.649 20 0 BDADLO CCn1cc(C(=O)NCc2[nH+]ccn2CC)cn1 ZINC000570058971 323049007 /nfs/dbraw/zinc/04/90/07/323049007.db2.gz DQMDQEVLOUXWMY-UHFFFAOYSA-N 1 2 247.302 1.049 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)[C@H]2CCOC2)on1 ZINC000570407910 323058796 /nfs/dbraw/zinc/05/87/96/323058796.db2.gz OTVQZDCULGOFRP-VIFPVBQESA-N 1 2 224.260 1.098 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)[C@H]2CCOC2)on1 ZINC000570407910 323058797 /nfs/dbraw/zinc/05/87/97/323058797.db2.gz OTVQZDCULGOFRP-VIFPVBQESA-N 1 2 224.260 1.098 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000154868053 323059168 /nfs/dbraw/zinc/05/91/68/323059168.db2.gz PAXSXYHMFZKOGS-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000154868053 323059169 /nfs/dbraw/zinc/05/91/69/323059169.db2.gz PAXSXYHMFZKOGS-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CC(C)c1nc(NC[C@@H](CO)C2CC2)cc[nH+]1 ZINC000570493898 323061004 /nfs/dbraw/zinc/06/10/04/323061004.db2.gz AQEQNODMHWDVEN-NSHDSACASA-N 1 2 235.331 1.452 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CCC(=O)C1 ZINC000570633552 323065336 /nfs/dbraw/zinc/06/53/36/323065336.db2.gz BLYZNEOCMYRILZ-NSHDSACASA-N 1 2 249.314 1.149 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCC[C@H](O)C1 ZINC000570739319 323069155 /nfs/dbraw/zinc/06/91/55/323069155.db2.gz NWHVFETXITYLHY-NEPJUHHUSA-N 1 2 235.331 1.478 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](O)C1CCCCC1 ZINC000570765398 323069616 /nfs/dbraw/zinc/06/96/16/323069616.db2.gz KBSHNHVFAAEQLF-ZDUSSCGKSA-N 1 2 249.358 1.868 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC12CC2 ZINC000570831926 323072092 /nfs/dbraw/zinc/07/20/92/323072092.db2.gz JWTCATIVHYVXEY-ZJUUUORDSA-N 1 2 234.303 1.123 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](C)C2)[nH]1 ZINC000158282148 323072617 /nfs/dbraw/zinc/07/26/17/323072617.db2.gz PNMGEJSNCMTIJS-MRVPVSSYSA-N 1 2 226.349 1.304 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](C)C2)[nH]1 ZINC000158282148 323072618 /nfs/dbraw/zinc/07/26/18/323072618.db2.gz PNMGEJSNCMTIJS-MRVPVSSYSA-N 1 2 226.349 1.304 20 0 BDADLO CCn1nncc1CNc1c[nH+]ccc1OC ZINC000570910199 323073875 /nfs/dbraw/zinc/07/38/75/323073875.db2.gz YYWYMLVMTNNOFE-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000563015732 323079969 /nfs/dbraw/zinc/07/99/69/323079969.db2.gz UKAVRTREQMTJBE-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1c[nH]cn1 ZINC000563021381 323080195 /nfs/dbraw/zinc/08/01/95/323080195.db2.gz VHEJVAWKYRZKFM-UHFFFAOYSA-N 1 2 205.265 1.799 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ncccc1O ZINC000570950029 323081969 /nfs/dbraw/zinc/08/19/69/323081969.db2.gz PIUNDKMNXAHHIX-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ncccc1O ZINC000570950029 323081970 /nfs/dbraw/zinc/08/19/70/323081970.db2.gz PIUNDKMNXAHHIX-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CO[C@H](C)C1 ZINC000565313576 323085791 /nfs/dbraw/zinc/08/57/91/323085791.db2.gz LXBOHPKJXFVHTB-SCZZXKLOSA-N 1 2 207.277 1.683 20 0 BDADLO Cc1cc(NC[C@@H]2CC[C@H](C)O2)nc[nH+]1 ZINC000397897994 323100459 /nfs/dbraw/zinc/10/04/59/323100459.db2.gz AHBYBLLWEBLRCI-UWVGGRQHSA-N 1 2 207.277 1.186 20 0 BDADLO Cc1cc(NC[C@@H]2CC[C@@H](C)O2)nc[nH+]1 ZINC000397897996 323100490 /nfs/dbraw/zinc/10/04/90/323100490.db2.gz AHBYBLLWEBLRCI-ZJUUUORDSA-N 1 2 207.277 1.186 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563201796 323101520 /nfs/dbraw/zinc/10/15/20/323101520.db2.gz YIKHTVACNQBRJZ-NXEZZACHSA-N 1 2 239.294 1.310 20 0 BDADLO C[C@H](CC(=O)NCc1ccoc1)n1cc[nH+]c1 ZINC000570972341 323102476 /nfs/dbraw/zinc/10/24/76/323102476.db2.gz ZGIRWOPKHVMWOQ-SNVBAGLBSA-N 1 2 233.271 1.744 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC000563258890 323107065 /nfs/dbraw/zinc/10/70/65/323107065.db2.gz NRESDWHRMSIHIX-MEWQQHAOSA-N 1 2 233.315 1.749 20 0 BDADLO CCn1ccnc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000531566190 323110102 /nfs/dbraw/zinc/11/01/02/323110102.db2.gz OJEXPIRTEIOPRN-NSHDSACASA-N 1 2 245.330 1.273 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1CCC(=O)CC1 ZINC000531800841 323113983 /nfs/dbraw/zinc/11/39/83/323113983.db2.gz GTQOWYJLMZROGV-UHFFFAOYSA-N 1 2 246.310 1.764 20 0 BDADLO COC(C)(C)CN(C)c1cc(C)[nH+]cn1 ZINC000531817368 323114520 /nfs/dbraw/zinc/11/45/20/323114520.db2.gz YLOLDNHDCGYOLH-UHFFFAOYSA-N 1 2 209.293 1.646 20 0 BDADLO CC(C)c1cc(N2CC(n3cc[nH+]c3)C2)ncn1 ZINC000531832295 323115058 /nfs/dbraw/zinc/11/50/58/323115058.db2.gz RAARECLRGDYWCV-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO C[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CCC1=O ZINC000534268290 323115221 /nfs/dbraw/zinc/11/52/21/323115221.db2.gz LBQAQMWFAVQQDD-QWRGUYRKSA-N 1 2 249.314 1.005 20 0 BDADLO CC1(C)C[C@@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000534271853 323115414 /nfs/dbraw/zinc/11/54/14/323115414.db2.gz AHMGVGRQHIEIGL-SECBINFHSA-N 1 2 242.326 1.922 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCC=C(F)C2)C1 ZINC000563389660 323121782 /nfs/dbraw/zinc/12/17/82/323121782.db2.gz GNKSLRPOOXVDHB-UHFFFAOYSA-N 1 2 226.295 1.414 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(C)(C)C[C@@H](C)O ZINC000563420143 323124011 /nfs/dbraw/zinc/12/40/11/323124011.db2.gz MZVMGVRFYCDQOJ-SNVBAGLBSA-N 1 2 237.347 1.724 20 0 BDADLO Cc1cnccc1CCNc1nc(C)[nH+]cc1C ZINC000563428054 323124953 /nfs/dbraw/zinc/12/49/53/323124953.db2.gz VKRQGZWNSDGKSG-UHFFFAOYSA-N 1 2 242.326 1.873 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCC[C@@H](C)C1 ZINC000563425637 323126082 /nfs/dbraw/zinc/12/60/82/323126082.db2.gz IKEGQJKUQCHECC-SECBINFHSA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCC[C@@H](C)C1 ZINC000563425637 323126083 /nfs/dbraw/zinc/12/60/83/323126083.db2.gz IKEGQJKUQCHECC-SECBINFHSA-N 1 2 236.319 1.694 20 0 BDADLO Cc1cnccc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000571188397 323137862 /nfs/dbraw/zinc/13/78/62/323137862.db2.gz CRPIBZQFWFQSPM-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1([C@H](O)C(C)C)CC1 ZINC000571226577 323138776 /nfs/dbraw/zinc/13/87/76/323138776.db2.gz RASJJIZIGRFDTC-GFCCVEGCSA-N 1 2 249.358 1.724 20 0 BDADLO CC[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC(C)(C)C ZINC000571346205 323142255 /nfs/dbraw/zinc/14/22/55/323142255.db2.gz OWPMSTQPJUEXRG-VQXHTEKXSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1cc(N[C@H]([C@H](CO)C2CC2)C2CC2)nc[nH+]1 ZINC000571493550 323145842 /nfs/dbraw/zinc/14/58/42/323145842.db2.gz OTYBVHMZDKANQV-OCCSQVGLSA-N 1 2 247.342 1.994 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1nc(C2CC2)c[nH]1 ZINC000571553830 323147804 /nfs/dbraw/zinc/14/78/04/323147804.db2.gz KDLBNYZCMBWDMF-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000546032950 323150417 /nfs/dbraw/zinc/15/04/17/323150417.db2.gz AMPVRBRQBFREDN-UHFFFAOYSA-N 1 2 249.362 1.849 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCCC2(CC2)C1 ZINC000546032950 323150418 /nfs/dbraw/zinc/15/04/18/323150418.db2.gz AMPVRBRQBFREDN-UHFFFAOYSA-N 1 2 249.362 1.849 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H]1SC ZINC000425370670 323173877 /nfs/dbraw/zinc/17/38/77/323173877.db2.gz OWEVTRDTYSBPCZ-VWYCJHECSA-N 1 2 243.372 1.812 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CC[C@@H]1SC ZINC000425370664 323173905 /nfs/dbraw/zinc/17/39/05/323173905.db2.gz OWEVTRDTYSBPCZ-DCAQKATOSA-N 1 2 243.372 1.812 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000563728074 323176086 /nfs/dbraw/zinc/17/60/86/323176086.db2.gz BCLRQJUKVIQORE-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO CCC(CC)[C@@H](O)CNc1nc(C)[nH+]cc1C ZINC000563821059 323179433 /nfs/dbraw/zinc/17/94/33/323179433.db2.gz OIZQBYOXRLNBNU-LBPRGKRZSA-N 1 2 237.347 1.724 20 0 BDADLO O=C(C1=CCCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000525867697 323181298 /nfs/dbraw/zinc/18/12/98/323181298.db2.gz VATXPNUHPYWSSP-UHFFFAOYSA-N 1 2 231.299 1.767 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529584227 323184538 /nfs/dbraw/zinc/18/45/38/323184538.db2.gz ZWNXLWXWFYGLEB-UTUOFQBUSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529584227 323184539 /nfs/dbraw/zinc/18/45/39/323184539.db2.gz ZWNXLWXWFYGLEB-UTUOFQBUSA-N 1 2 247.342 1.813 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCOC(C)(C)C)C1CC1 ZINC000535763991 323190692 /nfs/dbraw/zinc/19/06/92/323190692.db2.gz GCHRMTIKFPNHQB-ZDUSSCGKSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(NC(=O)NC[C@H](O)C2CC2)c(C)c[nH+]1 ZINC000535774028 323190902 /nfs/dbraw/zinc/19/09/02/323190902.db2.gz MKYOLJITZLPQPM-LBPRGKRZSA-N 1 2 249.314 1.013 20 0 BDADLO CC(C)OC1CC[NH+](Cc2csnn2)CC1 ZINC000535796602 323191713 /nfs/dbraw/zinc/19/17/13/323191713.db2.gz ZIKXQYUCAZQONN-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1nccs1 ZINC000309023801 323194401 /nfs/dbraw/zinc/19/44/01/323194401.db2.gz YUIFQQOYGJZODO-JGVFFNPUSA-N 1 2 248.373 1.227 20 0 BDADLO CC1=CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000535966092 323194775 /nfs/dbraw/zinc/19/47/75/323194775.db2.gz VTQZBUTYWAMWIV-UHFFFAOYSA-N 1 2 244.298 1.175 20 0 BDADLO CC1=CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000535966092 323194776 /nfs/dbraw/zinc/19/47/76/323194776.db2.gz VTQZBUTYWAMWIV-UHFFFAOYSA-N 1 2 244.298 1.175 20 0 BDADLO CC(=O)Nc1nc(C[N@H+](C)CC2CC2)cs1 ZINC000053184030 323196668 /nfs/dbraw/zinc/19/66/68/323196668.db2.gz DKCYPRUJUIVNEO-UHFFFAOYSA-N 1 2 239.344 1.943 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+](C)CC2CC2)cs1 ZINC000053184030 323196669 /nfs/dbraw/zinc/19/66/69/323196669.db2.gz DKCYPRUJUIVNEO-UHFFFAOYSA-N 1 2 239.344 1.943 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOC(C)C)no1 ZINC000042132227 323243897 /nfs/dbraw/zinc/24/38/97/323243897.db2.gz AAQHGJJDNYHQHG-UHFFFAOYSA-N 1 2 212.293 1.840 20 0 BDADLO Cc1cc(C[N@H+](C)CCOC(C)C)no1 ZINC000042132227 323243902 /nfs/dbraw/zinc/24/39/02/323243902.db2.gz AAQHGJJDNYHQHG-UHFFFAOYSA-N 1 2 212.293 1.840 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cn1 ZINC000532473394 323267381 /nfs/dbraw/zinc/26/73/81/323267381.db2.gz YXTPCGFKYLYGEO-GFCCVEGCSA-N 1 2 243.314 1.675 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cn1 ZINC000532473394 323267385 /nfs/dbraw/zinc/26/73/85/323267385.db2.gz YXTPCGFKYLYGEO-GFCCVEGCSA-N 1 2 243.314 1.675 20 0 BDADLO C[N@H+](CCCF)Cc1nnc2n1CCC2 ZINC000532503856 323271520 /nfs/dbraw/zinc/27/15/20/323271520.db2.gz UOYDYYWBQDJLAD-UHFFFAOYSA-N 1 2 212.272 1.016 20 0 BDADLO C[N@@H+](CCCF)Cc1nnc2n1CCC2 ZINC000532503856 323271525 /nfs/dbraw/zinc/27/15/25/323271525.db2.gz UOYDYYWBQDJLAD-UHFFFAOYSA-N 1 2 212.272 1.016 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NCCCF ZINC000532864660 323303192 /nfs/dbraw/zinc/30/31/92/323303192.db2.gz SNIUYEUSNACSDL-UHFFFAOYSA-N 1 2 235.262 1.353 20 0 BDADLO Cc1nnc(CNc2cc(C)[nH+]cn2)s1 ZINC000309198142 323327722 /nfs/dbraw/zinc/32/77/22/323327722.db2.gz QWCCLSAMQNSVPQ-UHFFFAOYSA-N 1 2 221.289 1.557 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)COC)C(=O)OC(C)(C)C ZINC000309408169 323381420 /nfs/dbraw/zinc/38/14/20/323381420.db2.gz BJCYBFUCBXZDIM-NXEZZACHSA-N 1 2 231.336 1.731 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C)CCCC1 ZINC000571710302 323464505 /nfs/dbraw/zinc/46/45/05/323464505.db2.gz NSLBRGOAAXFARJ-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000667212722 487958751 /nfs/dbraw/zinc/95/87/51/487958751.db2.gz YGEBSHKRWIABTP-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1CC(F)(F)C1 ZINC000572250147 323573158 /nfs/dbraw/zinc/57/31/58/323573158.db2.gz HVXSQCXFVXUQOM-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000667212988 487959081 /nfs/dbraw/zinc/95/90/81/487959081.db2.gz HFYCPMWUCKZKLL-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000667212988 487959089 /nfs/dbraw/zinc/95/90/89/487959089.db2.gz HFYCPMWUCKZKLL-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@@H](F)C1)c1[nH+]ccn1C ZINC000667248924 487960844 /nfs/dbraw/zinc/96/08/44/487960844.db2.gz IWMVUPVILRNERQ-RKDXNWHRSA-N 1 2 240.282 1.235 20 0 BDADLO O[C@@H](Cc1ccccc1)Cn1cc[nH+]c1 ZINC000060167325 324025357 /nfs/dbraw/zinc/02/53/57/324025357.db2.gz WHKHJPOJUKPSLA-LBPRGKRZSA-N 1 2 202.257 1.487 20 0 BDADLO C[C@@H]1CC[C@H](C[NH+]=c2[nH]c3ccccc3[nH]2)O1 ZINC000398101895 324217890 /nfs/dbraw/zinc/21/78/90/324217890.db2.gz MYGXKUBPMZNQNZ-NXEZZACHSA-N 1 2 231.299 1.964 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)[C@@H]1C1CC1 ZINC000529400236 324287436 /nfs/dbraw/zinc/28/74/36/324287436.db2.gz BITDMNJBGREFFP-AQUOVQTQSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)[C@@H]1C1CC1 ZINC000529400236 324287442 /nfs/dbraw/zinc/28/74/42/324287442.db2.gz BITDMNJBGREFFP-AQUOVQTQSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCc2cn(C)c[nH+]2)[C@@H]1C1CC1 ZINC000529477278 324309728 /nfs/dbraw/zinc/30/97/28/324309728.db2.gz KMNNXLRVBUNJPX-TVYUQYBPSA-N 1 2 247.342 1.371 20 0 BDADLO COCCC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000529637038 324368194 /nfs/dbraw/zinc/36/81/94/324368194.db2.gz MNQKDRISZRLREH-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000529667388 324373998 /nfs/dbraw/zinc/37/39/98/324373998.db2.gz URIJSIQJIIJHJJ-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000529667388 324374001 /nfs/dbraw/zinc/37/40/01/324374001.db2.gz URIJSIQJIIJHJJ-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1CC=CC1 ZINC000529709827 324383404 /nfs/dbraw/zinc/38/34/04/324383404.db2.gz RETQZTVHASIXPK-UHFFFAOYSA-N 1 2 205.261 1.035 20 0 BDADLO C[C@@H](NC(=O)N1C2CCC1CC2)c1[nH+]ccn1C ZINC000667256274 487963056 /nfs/dbraw/zinc/96/30/56/487963056.db2.gz IGUJQAXJXQIGJO-KPPDAEKUSA-N 1 2 248.330 1.818 20 0 BDADLO Cn1cnnc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000538130743 324657276 /nfs/dbraw/zinc/65/72/76/324657276.db2.gz LMLIIBUTLQTQOU-GFCCVEGCSA-N 1 2 246.314 1.028 20 0 BDADLO CCCC[C@H](C(=O)OC)[NH+]1CCSCC1 ZINC000067226997 324786146 /nfs/dbraw/zinc/78/61/46/324786146.db2.gz ATFSEGFNRGZVOZ-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCC(=O)OC(C)C)o1 ZINC000541692445 324972370 /nfs/dbraw/zinc/97/23/70/324972370.db2.gz ZMUFFIJSNZCHBZ-QMMMGPOBSA-N 1 2 241.291 1.370 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000653559842 487966419 /nfs/dbraw/zinc/96/64/19/487966419.db2.gz XLKMHHUGTROYNS-AOOOYVTPSA-N 1 2 249.362 1.516 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000653559842 487966424 /nfs/dbraw/zinc/96/64/24/487966424.db2.gz XLKMHHUGTROYNS-AOOOYVTPSA-N 1 2 249.362 1.516 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000542481174 325030149 /nfs/dbraw/zinc/03/01/49/325030149.db2.gz JXBIHNSHXJDOCZ-ITGUQSILSA-N 1 2 247.342 1.515 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccnc2)cn1 ZINC000071016241 325050149 /nfs/dbraw/zinc/05/01/49/325050149.db2.gz PLZDYUYBLYJCFZ-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC000071016241 325050150 /nfs/dbraw/zinc/05/01/50/325050150.db2.gz PLZDYUYBLYJCFZ-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)oc1C ZINC000131304044 325135952 /nfs/dbraw/zinc/13/59/52/325135952.db2.gz UOSYQIVKXDHLIT-UHFFFAOYSA-N 1 2 247.298 1.913 20 0 BDADLO CSCCCC(=O)NCCc1c[nH+]cn1C ZINC000544407548 325141721 /nfs/dbraw/zinc/14/17/21/325141721.db2.gz DUKRMIJWHCXFBA-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000544516206 325146214 /nfs/dbraw/zinc/14/62/14/325146214.db2.gz ZGWVWWYVKBVQTE-NEPJUHHUSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1ccnc(C[NH2+]C(C)(C)c2cnn(C)c2)n1 ZINC000545292678 325208166 /nfs/dbraw/zinc/20/81/66/325208166.db2.gz NDBHFXMNWBCUBN-UHFFFAOYSA-N 1 2 245.330 1.543 20 0 BDADLO CCC(CC)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000132399892 325214555 /nfs/dbraw/zinc/21/45/55/325214555.db2.gz VOBLMXZNNIHUDG-UHFFFAOYSA-N 1 2 238.335 1.750 20 0 BDADLO CC(C)c1noc(CCn2cc[nH+]c2)n1 ZINC000546262232 325275135 /nfs/dbraw/zinc/27/51/35/325275135.db2.gz KOMMOHBYYIUNFZ-UHFFFAOYSA-N 1 2 206.249 1.632 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cncs1 ZINC000133381602 325292216 /nfs/dbraw/zinc/29/22/16/325292216.db2.gz LTXICCNIFZIFOD-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000546715456 325304353 /nfs/dbraw/zinc/30/43/53/325304353.db2.gz UGCRBVZBVKEFDQ-GHMZBOCLSA-N 1 2 235.331 1.515 20 0 BDADLO CC(C)C[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547322082 325340598 /nfs/dbraw/zinc/34/05/98/325340598.db2.gz XHJJEXWWRXFYSX-NSHDSACASA-N 1 2 235.331 1.949 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)ncn1 ZINC000134395910 325357390 /nfs/dbraw/zinc/35/73/90/325357390.db2.gz PIRYBAWLJQCFEW-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO Cc1cccnc1C(=O)NCCc1c[nH+]cn1C ZINC000547482934 325361422 /nfs/dbraw/zinc/36/14/22/325361422.db2.gz WFZATUQNQMGXHJ-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CCCC1(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000547482430 325361472 /nfs/dbraw/zinc/36/14/72/325361472.db2.gz HPKXWASCVCEJNV-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000547769174 325394823 /nfs/dbraw/zinc/39/48/23/325394823.db2.gz FICUICUSOPRAFI-SBMIAAHKSA-N 1 2 236.290 1.835 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000547769174 325394825 /nfs/dbraw/zinc/39/48/25/325394825.db2.gz FICUICUSOPRAFI-SBMIAAHKSA-N 1 2 236.290 1.835 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000135181686 325399379 /nfs/dbraw/zinc/39/93/79/325399379.db2.gz ZVUWGVBRNNNQEZ-NWDGAFQWSA-N 1 2 243.347 1.877 20 0 BDADLO O=C(Cc1ccccc1O)NCCc1[nH]cc[nH+]1 ZINC000135553944 325417433 /nfs/dbraw/zinc/41/74/33/325417433.db2.gz HVDUKBVNVOZHPX-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO CCOc1cc(N2CCn3cc[nH+]c3C2)ncn1 ZINC000548117313 325432325 /nfs/dbraw/zinc/43/23/25/325432325.db2.gz IHYGOPOAHXBCDO-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC=CCC1 ZINC000548815088 325486216 /nfs/dbraw/zinc/48/62/16/325486216.db2.gz UPQLRUBJPJKPRU-SNVBAGLBSA-N 1 2 219.288 1.188 20 0 BDADLO Cc1cc(N2CCC3(CCO3)CC2)nc[nH+]1 ZINC000548819474 325486680 /nfs/dbraw/zinc/48/66/80/325486680.db2.gz KEOPXJDMCCTDHB-UHFFFAOYSA-N 1 2 219.288 1.544 20 0 BDADLO CNc1ccc(Nc2nc(C)cc(C)n2)c[nH+]1 ZINC000550435018 325531507 /nfs/dbraw/zinc/53/15/07/325531507.db2.gz HESBWCJFWYBSPH-UHFFFAOYSA-N 1 2 229.287 1.696 20 0 BDADLO COCCC1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000551958106 325576616 /nfs/dbraw/zinc/57/66/16/325576616.db2.gz YPRBEONTNYKHHI-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000552029145 325589051 /nfs/dbraw/zinc/58/90/51/325589051.db2.gz KHGUIKWPBNCUEG-BDAKNGLRSA-N 1 2 243.332 1.177 20 0 BDADLO CCc1cnccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552558696 325653231 /nfs/dbraw/zinc/65/32/31/325653231.db2.gz IZSPGOPORXGSBP-SECBINFHSA-N 1 2 244.298 1.858 20 0 BDADLO Cn1cc[nH+]c1[C@@H](Nc1ncccn1)C1CC1 ZINC000553265690 325684152 /nfs/dbraw/zinc/68/41/52/325684152.db2.gz YELCRIMLRHLTKS-JTQLQIEISA-N 1 2 229.287 1.773 20 0 BDADLO CC(C)(C)/C=C/C(=O)NCC[NH+]1CCOCC1 ZINC000253463142 325724403 /nfs/dbraw/zinc/72/44/03/325724403.db2.gz MUOKZPQFNQDTES-SNAWJCMRSA-N 1 2 240.347 1.037 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000555224385 325750307 /nfs/dbraw/zinc/75/03/07/325750307.db2.gz SNKUWRYSNKMSPK-GDNZZTSVSA-N 1 2 235.331 1.824 20 0 BDADLO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1csnn1 ZINC000555338514 325754122 /nfs/dbraw/zinc/75/41/22/325754122.db2.gz GPXQBEZCKCANDP-JTQLQIEISA-N 1 2 249.343 1.439 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CC12CC2 ZINC000564430461 325792404 /nfs/dbraw/zinc/79/24/04/325792404.db2.gz MOFKOILOVCGDQN-JTQLQIEISA-N 1 2 248.330 1.502 20 0 BDADLO C[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)CC1 ZINC000564576889 325797013 /nfs/dbraw/zinc/79/70/13/325797013.db2.gz MVWNJGNVVDTUPL-MGCOHNPYSA-N 1 2 234.299 1.974 20 0 BDADLO Cc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)no1 ZINC000565053643 325852643 /nfs/dbraw/zinc/85/26/43/325852643.db2.gz JXHYNLMUURHEHO-SECBINFHSA-N 1 2 248.286 1.447 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682490957 487970905 /nfs/dbraw/zinc/97/09/05/487970905.db2.gz MGNKURTYVUTBCG-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO CS[C@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000565389348 325904597 /nfs/dbraw/zinc/90/45/97/325904597.db2.gz CFPXPRHEWFBQEW-HTQZYQBOSA-N 1 2 227.333 1.729 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000565389349 325904816 /nfs/dbraw/zinc/90/48/16/325904816.db2.gz CFPXPRHEWFBQEW-JGVFFNPUSA-N 1 2 227.333 1.729 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682490958 487971110 /nfs/dbraw/zinc/97/11/10/487971110.db2.gz MGNKURTYVUTBCG-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H](CC(=O)N1C[C@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000566304782 326031607 /nfs/dbraw/zinc/03/16/07/326031607.db2.gz QDGYVUWFRNQRKB-GRYCIOLGSA-N 1 2 235.331 1.949 20 0 BDADLO OCc1ccc(C[N@@H+]2CCC[C@@H](F)C2)o1 ZINC000566353968 326036118 /nfs/dbraw/zinc/03/61/18/326036118.db2.gz NQKMGVDPHFWMRL-SECBINFHSA-N 1 2 213.252 1.706 20 0 BDADLO OCc1ccc(C[N@H+]2CCC[C@@H](F)C2)o1 ZINC000566353968 326036121 /nfs/dbraw/zinc/03/61/21/326036121.db2.gz NQKMGVDPHFWMRL-SECBINFHSA-N 1 2 213.252 1.706 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)co1 ZINC000566363277 326037427 /nfs/dbraw/zinc/03/74/27/326037427.db2.gz GUXJAKZPMACFEZ-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO CSC[C@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418315 326039553 /nfs/dbraw/zinc/03/95/53/326039553.db2.gz DQIZVCOMXFJPMI-VXNVDRBHSA-N 1 2 245.348 1.095 20 0 BDADLO CSC[C@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418315 326039556 /nfs/dbraw/zinc/03/95/56/326039556.db2.gz DQIZVCOMXFJPMI-VXNVDRBHSA-N 1 2 245.348 1.095 20 0 BDADLO CC1=CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000566446031 326049159 /nfs/dbraw/zinc/04/91/59/326049159.db2.gz GMWDWPHKUBRGET-NSHDSACASA-N 1 2 233.315 1.767 20 0 BDADLO CC1=CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000566446031 326049163 /nfs/dbraw/zinc/04/91/63/326049163.db2.gz GMWDWPHKUBRGET-NSHDSACASA-N 1 2 233.315 1.767 20 0 BDADLO COCCC1(C)CN(c2nc(C)[nH+]cc2C)C1 ZINC000566482547 326056361 /nfs/dbraw/zinc/05/63/61/326056361.db2.gz PAPFVDXGABNOTA-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)[C@H]1CCCOC1 ZINC000566616490 326068429 /nfs/dbraw/zinc/06/84/29/326068429.db2.gz AEXMUFZPWIBPJO-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@H]1CCCOC1 ZINC000566616490 326068430 /nfs/dbraw/zinc/06/84/30/326068430.db2.gz AEXMUFZPWIBPJO-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCCOC1 ZINC000566616486 326068475 /nfs/dbraw/zinc/06/84/75/326068475.db2.gz AEXMUFZPWIBPJO-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCCOC1 ZINC000566616486 326068477 /nfs/dbraw/zinc/06/84/77/326068477.db2.gz AEXMUFZPWIBPJO-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO CC(C)(NC(=O)C1=CCCC1)c1[nH]cc[nH+]1 ZINC000566625423 326069632 /nfs/dbraw/zinc/06/96/32/326069632.db2.gz SDYVXVUDKACLPZ-UHFFFAOYSA-N 1 2 219.288 1.871 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1(CF)CCC1 ZINC000566740293 326079076 /nfs/dbraw/zinc/07/90/76/326079076.db2.gz PNIFYYDSWKXPAZ-UHFFFAOYSA-N 1 2 225.267 1.351 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1(CF)CCC1 ZINC000566740293 326079080 /nfs/dbraw/zinc/07/90/80/326079080.db2.gz PNIFYYDSWKXPAZ-UHFFFAOYSA-N 1 2 225.267 1.351 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@]1(C)CCCO1 ZINC000566807159 326085719 /nfs/dbraw/zinc/08/57/19/326085719.db2.gz FSYKRPKIBQJTJG-GFCCVEGCSA-N 1 2 221.304 1.496 20 0 BDADLO C[C@@H]([NH2+]C[C@H](C)O)c1noc(-c2ccccc2)n1 ZINC000566841736 326086742 /nfs/dbraw/zinc/08/67/42/326086742.db2.gz ZIULTLDCZZPZDH-VHSXEESVSA-N 1 2 247.298 1.768 20 0 BDADLO COc1cccc2nc[nH+]c(N3CCCCN3)c21 ZINC000566896277 326091740 /nfs/dbraw/zinc/09/17/40/326091740.db2.gz XLTKTWFZWBMEBZ-UHFFFAOYSA-N 1 2 244.298 1.743 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@H](F)C1 ZINC000567172366 326128935 /nfs/dbraw/zinc/12/89/35/326128935.db2.gz KKHPZTHZCFMSTM-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO Cc1cc(NCc2nnc(C3CC3)s2)nc[nH+]1 ZINC000567240757 326148975 /nfs/dbraw/zinc/14/89/75/326148975.db2.gz XORLDNXWCKZWQS-UHFFFAOYSA-N 1 2 247.327 1.548 20 0 BDADLO CC(C)(NC(=O)COCC1CC1)c1[nH]cc[nH+]1 ZINC000567279885 326155301 /nfs/dbraw/zinc/15/53/01/326155301.db2.gz FLHTUQJDPQNKAC-UHFFFAOYSA-N 1 2 237.303 1.188 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1ccccn1 ZINC000567341469 326166865 /nfs/dbraw/zinc/16/68/65/326166865.db2.gz RIPJHALTFVRODF-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO COCC[N@@H+](Cc1cnn(C)c1)Cc1ccco1 ZINC000154847640 326167669 /nfs/dbraw/zinc/16/76/69/326167669.db2.gz UVDMWLLAGNXHMB-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO COCC[N@H+](Cc1cnn(C)c1)Cc1ccco1 ZINC000154847640 326167670 /nfs/dbraw/zinc/16/76/70/326167670.db2.gz UVDMWLLAGNXHMB-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCSC)C1CC1 ZINC000154904853 326171820 /nfs/dbraw/zinc/17/18/20/326171820.db2.gz RAFXXYIMQWYKEF-SNVBAGLBSA-N 1 2 217.334 1.281 20 0 BDADLO CCc1ncc(CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000567454820 326196032 /nfs/dbraw/zinc/19/60/32/326196032.db2.gz KCGFEZRSCXUGHO-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO C[C@@H]1C[NH+](CCSc2nc[nH]n2)C[C@@H](C)O1 ZINC000567522666 326208276 /nfs/dbraw/zinc/20/82/76/326208276.db2.gz WYINEBMARNKDNK-RKDXNWHRSA-N 1 2 242.348 1.006 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)C1COC1 ZINC000567577294 326221378 /nfs/dbraw/zinc/22/13/78/326221378.db2.gz BXFHBFRWELTONL-UHFFFAOYSA-N 1 2 235.287 1.065 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000156821595 326243454 /nfs/dbraw/zinc/24/34/54/326243454.db2.gz DRQWAQKQDVUUND-AAEUAGOBSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cccnc1 ZINC000156821595 326243456 /nfs/dbraw/zinc/24/34/56/326243456.db2.gz DRQWAQKQDVUUND-AAEUAGOBSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)n1cc[nH+]c1 ZINC000567739784 326253628 /nfs/dbraw/zinc/25/36/28/326253628.db2.gz BHZGXCNYTQZBAC-UTUOFQBUSA-N 1 2 247.342 1.949 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000682504403 487972027 /nfs/dbraw/zinc/97/20/27/487972027.db2.gz GGZNCBBMANLVHZ-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2CC[C@H](C)C2)c[nH+]1 ZINC000567956300 326287905 /nfs/dbraw/zinc/28/79/05/326287905.db2.gz LJVJAIWPVPTESV-WPRPVWTQSA-N 1 2 248.330 1.250 20 0 BDADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)nc1 ZINC000567963449 326288956 /nfs/dbraw/zinc/28/89/56/326288956.db2.gz XCYWKJYTEMWHGO-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO Cc1nnsc1C[N@@H+](C)[C@H]1CCOC1 ZINC000567989961 326292757 /nfs/dbraw/zinc/29/27/57/326292757.db2.gz WCXCYNDDFKMHTD-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1nnsc1C[N@H+](C)[C@H]1CCOC1 ZINC000567989961 326292758 /nfs/dbraw/zinc/29/27/58/326292758.db2.gz WCXCYNDDFKMHTD-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO CC[C@@H](OC)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000568069994 326303433 /nfs/dbraw/zinc/30/34/33/326303433.db2.gz VZYHHYFEVWNTCL-SECBINFHSA-N 1 2 239.319 1.494 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)COC(C)C)[nH+]1 ZINC000568069910 326303543 /nfs/dbraw/zinc/30/35/43/326303543.db2.gz SYDKSCAQWLVBBR-UHFFFAOYSA-N 1 2 239.319 1.494 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccnn2C)[nH+]1 ZINC000568069728 326303560 /nfs/dbraw/zinc/30/35/60/326303560.db2.gz NHOXIXFCXKALEB-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO Cc1cnc(CNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000568096472 326307253 /nfs/dbraw/zinc/30/72/53/326307253.db2.gz CXQFJKWIPHRYPW-VIFPVBQESA-N 1 2 248.286 1.447 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOCCC(C)C ZINC000568156367 326315345 /nfs/dbraw/zinc/31/53/45/326315345.db2.gz IKRPRUOCSMSQNG-LLVKDONJSA-N 1 2 231.336 1.542 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCCC(C)C ZINC000568156367 326315346 /nfs/dbraw/zinc/31/53/46/326315346.db2.gz IKRPRUOCSMSQNG-LLVKDONJSA-N 1 2 231.336 1.542 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C2CCC1CC2 ZINC000568184348 326322632 /nfs/dbraw/zinc/32/26/32/326322632.db2.gz UCBKMJBRCRDKGU-GCVQQVDUSA-N 1 2 233.315 1.742 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C2CCC1CC2 ZINC000568184348 326322634 /nfs/dbraw/zinc/32/26/34/326322634.db2.gz UCBKMJBRCRDKGU-GCVQQVDUSA-N 1 2 233.315 1.742 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCCCF)ccn12 ZINC000568195406 326324406 /nfs/dbraw/zinc/32/44/06/326324406.db2.gz GFFKFQROHBMUDR-UHFFFAOYSA-N 1 2 235.262 1.732 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cn1 ZINC000568193845 326324430 /nfs/dbraw/zinc/32/44/30/326324430.db2.gz WLOHIILCCLINNQ-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cn1 ZINC000568193845 326324432 /nfs/dbraw/zinc/32/44/32/326324432.db2.gz WLOHIILCCLINNQ-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CC2 ZINC000568227976 326329367 /nfs/dbraw/zinc/32/93/67/326329367.db2.gz KIDRAUXRUJPDFJ-SCZZXKLOSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CC2 ZINC000568227976 326329369 /nfs/dbraw/zinc/32/93/69/326329369.db2.gz KIDRAUXRUJPDFJ-SCZZXKLOSA-N 1 2 219.288 1.257 20 0 BDADLO CCc1oc(C(=O)NCCn2cc[nH+]c2)cc1C ZINC000159027349 326348103 /nfs/dbraw/zinc/34/81/03/326348103.db2.gz OABYRJPQNGYMJY-UHFFFAOYSA-N 1 2 247.298 1.777 20 0 BDADLO COc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000568376692 326351128 /nfs/dbraw/zinc/35/11/28/326351128.db2.gz INLLMGLNNQNTMR-UHFFFAOYSA-N 1 2 248.326 1.976 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CO)C2)on1 ZINC000568828080 326378312 /nfs/dbraw/zinc/37/83/12/326378312.db2.gz CTPCMVDWEYHTIY-SNVBAGLBSA-N 1 2 238.287 1.082 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCC[C@@H](CO)C2)on1 ZINC000568828080 326378315 /nfs/dbraw/zinc/37/83/15/326378315.db2.gz CTPCMVDWEYHTIY-SNVBAGLBSA-N 1 2 238.287 1.082 20 0 BDADLO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000568857966 326379601 /nfs/dbraw/zinc/37/96/01/326379601.db2.gz XHDYCPNIGHBZGI-RISCZKNCSA-N 1 2 245.326 1.664 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCOC1 ZINC000569050378 326387908 /nfs/dbraw/zinc/38/79/08/326387908.db2.gz LJKXLAQKCGWWTJ-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCOC1 ZINC000569050378 326387909 /nfs/dbraw/zinc/38/79/09/326387909.db2.gz LJKXLAQKCGWWTJ-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO Cc1nc(N)c(CNC(=O)C2(C)CCC2)c[nH+]1 ZINC000572906979 326418485 /nfs/dbraw/zinc/41/84/85/326418485.db2.gz ZESZUKWEAIDIFR-UHFFFAOYSA-N 1 2 234.303 1.004 20 0 BDADLO CC1(C)CC[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000573134700 326431731 /nfs/dbraw/zinc/43/17/31/326431731.db2.gz QSKUTUVJNVUBBZ-JTQLQIEISA-N 1 2 246.314 1.301 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682512347 487972976 /nfs/dbraw/zinc/97/29/76/487972976.db2.gz XQSPGFZAVKSFGI-GRYCIOLGSA-N 1 2 247.342 1.845 20 0 BDADLO CC[C@@H](C)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667256811 487975997 /nfs/dbraw/zinc/97/59/97/487975997.db2.gz UVMWMMMWNARGCY-ZJUUUORDSA-N 1 2 238.335 1.921 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1scnc1C)CC2 ZINC000680000653 487976341 /nfs/dbraw/zinc/97/63/41/487976341.db2.gz LOVYRIRNUBFAQA-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO O[C@H]1C[N@H+](CC[C@@H]2CCCO2)CC(F)(F)C1 ZINC000682542732 487981140 /nfs/dbraw/zinc/98/11/40/487981140.db2.gz IIKBWMOUHRWYIJ-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CC(F)(F)C1 ZINC000682542732 487981145 /nfs/dbraw/zinc/98/11/45/487981145.db2.gz IIKBWMOUHRWYIJ-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCCC1 ZINC000220516622 487986548 /nfs/dbraw/zinc/98/65/48/487986548.db2.gz XTOILFWJQUABJF-SNVBAGLBSA-N 1 2 233.315 1.527 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCC1 ZINC000220516622 487986556 /nfs/dbraw/zinc/98/65/56/487986556.db2.gz XTOILFWJQUABJF-SNVBAGLBSA-N 1 2 233.315 1.527 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2nc[nH+]c3c2OCCN3)C1 ZINC000665702326 487993003 /nfs/dbraw/zinc/99/30/03/487993003.db2.gz XFBSWUWJEYGEAX-BDAKNGLRSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2[nH+]cnc3c2OCCN3)C1 ZINC000665702326 487993005 /nfs/dbraw/zinc/99/30/05/487993005.db2.gz XFBSWUWJEYGEAX-BDAKNGLRSA-N 1 2 234.303 1.516 20 0 BDADLO CCc1ccc(CC(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000668604494 487998356 /nfs/dbraw/zinc/99/83/56/487998356.db2.gz PMEGZXJRYVQCIC-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000309648636 488011200 /nfs/dbraw/zinc/01/12/00/488011200.db2.gz NHATZYLIFJNSMZ-GGZOMVNGSA-N 1 2 223.320 1.936 20 0 BDADLO Cc1cnn(C)c1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000667452375 488012392 /nfs/dbraw/zinc/01/23/92/488012392.db2.gz DHJAHNHXNVRZIG-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO Cc1cnn(C)c1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000667452375 488012397 /nfs/dbraw/zinc/01/23/97/488012397.db2.gz DHJAHNHXNVRZIG-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1ccccc1Cl ZINC000159246227 488013811 /nfs/dbraw/zinc/01/38/11/488013811.db2.gz ZICVKJBRJIROFG-LLVKDONJSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1ccccc1Cl ZINC000159246227 488013814 /nfs/dbraw/zinc/01/38/14/488013814.db2.gz ZICVKJBRJIROFG-LLVKDONJSA-N 1 2 241.718 1.533 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H](C)C(F)F ZINC000228519909 488019829 /nfs/dbraw/zinc/01/98/29/488019829.db2.gz SFOCYMZNRRFWNA-SSDOTTSWSA-N 1 2 203.236 1.472 20 0 BDADLO O=C(c1ccccn1)N1CCc2[nH]c[nH+]c2C1 ZINC000074885529 488023903 /nfs/dbraw/zinc/02/39/03/488023903.db2.gz UEEGINXJKBUVPL-UHFFFAOYSA-N 1 2 228.255 1.003 20 0 BDADLO O=C(c1ccccn1)N1CCc2[nH+]c[nH]c2C1 ZINC000074885529 488023908 /nfs/dbraw/zinc/02/39/08/488023908.db2.gz UEEGINXJKBUVPL-UHFFFAOYSA-N 1 2 228.255 1.003 20 0 BDADLO CC[N@H+](CCOC)Cc1cn(C2CCC2)nn1 ZINC000667496753 488028185 /nfs/dbraw/zinc/02/81/85/488028185.db2.gz CKLFHUOSTLTXHH-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO CC[N@@H+](CCOC)Cc1cn(C2CCC2)nn1 ZINC000667496753 488028189 /nfs/dbraw/zinc/02/81/89/488028189.db2.gz CKLFHUOSTLTXHH-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cc(C)ncn2)o1 ZINC000677425456 488033455 /nfs/dbraw/zinc/03/34/55/488033455.db2.gz UBGPFOUTGCCYKS-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667543836 488041138 /nfs/dbraw/zinc/04/11/38/488041138.db2.gz MWFYLCBPLWMMKB-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667543836 488041144 /nfs/dbraw/zinc/04/11/44/488041144.db2.gz MWFYLCBPLWMMKB-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO Cc1[nH+]cc(CN(C)C[C@@H]2CCCCO2)n1C ZINC000667549481 488042803 /nfs/dbraw/zinc/04/28/03/488042803.db2.gz MXCKYHJZGPOCCI-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)c[nH]c1=O ZINC000677470202 488043825 /nfs/dbraw/zinc/04/38/25/488043825.db2.gz LFPILGVEFXMXPG-UHFFFAOYSA-N 1 2 246.270 1.321 20 0 BDADLO C[NH+](C)[C@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000091394298 488049032 /nfs/dbraw/zinc/04/90/32/488049032.db2.gz MBJJQSNLJQUVKW-NSHDSACASA-N 1 2 249.314 1.310 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000672337346 488055861 /nfs/dbraw/zinc/05/58/61/488055861.db2.gz LYHZNNNTVULWDZ-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO c1coc([C@H]2C[N@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000678294963 488067915 /nfs/dbraw/zinc/06/79/15/488067915.db2.gz TTYHOZIAIXJIEN-GFCCVEGCSA-N 1 2 233.271 1.576 20 0 BDADLO c1coc([C@H]2C[N@@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000678294963 488067919 /nfs/dbraw/zinc/06/79/19/488067919.db2.gz TTYHOZIAIXJIEN-GFCCVEGCSA-N 1 2 233.271 1.576 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667650952 488074512 /nfs/dbraw/zinc/07/45/12/488074512.db2.gz IYBFBQKOQZNINA-CYBMUJFWSA-N 1 2 249.358 1.830 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667650952 488074513 /nfs/dbraw/zinc/07/45/13/488074513.db2.gz IYBFBQKOQZNINA-CYBMUJFWSA-N 1 2 249.358 1.830 20 0 BDADLO O=C([C@@H](O)C1CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000667653252 488075450 /nfs/dbraw/zinc/07/54/50/488075450.db2.gz WGFUUAMKLZNTIE-MNOVXSKESA-N 1 2 249.314 1.234 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000683000790 488083001 /nfs/dbraw/zinc/08/30/01/488083001.db2.gz FRHZYYMFIZGJBT-TXEJJXNPSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000683000790 488083005 /nfs/dbraw/zinc/08/30/05/488083005.db2.gz FRHZYYMFIZGJBT-TXEJJXNPSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000683001991 488083017 /nfs/dbraw/zinc/08/30/17/488083017.db2.gz UHSSAYRIVLNEQE-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000683001991 488083024 /nfs/dbraw/zinc/08/30/24/488083024.db2.gz UHSSAYRIVLNEQE-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO C[C@H](NC(=O)Nc1ccn(C)n1)c1[nH+]ccn1C ZINC000665919695 488083526 /nfs/dbraw/zinc/08/35/26/488083526.db2.gz TYTQDTHDXMMTPV-QMMMGPOBSA-N 1 2 248.290 1.036 20 0 BDADLO CO[C@@H]1CN(c2cc(CO)cc[nH+]2)CC[C@@H]1C ZINC000230320041 488085901 /nfs/dbraw/zinc/08/59/01/488085901.db2.gz WTUUSXQIENLFEM-CMPLNLGQSA-N 1 2 236.315 1.435 20 0 BDADLO CCC[N@@H+]1CC[C@H](Nc2nc(CC)ns2)C1 ZINC000389320047 488088766 /nfs/dbraw/zinc/08/87/66/488088766.db2.gz GIOYQLJUKVMSST-VIFPVBQESA-N 1 2 240.376 1.419 20 0 BDADLO CCC[N@H+]1CC[C@H](Nc2nc(CC)ns2)C1 ZINC000389320047 488088769 /nfs/dbraw/zinc/08/87/69/488088769.db2.gz GIOYQLJUKVMSST-VIFPVBQESA-N 1 2 240.376 1.419 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccn1 ZINC000683011199 488091017 /nfs/dbraw/zinc/09/10/17/488091017.db2.gz NXJOSCOZORDMCO-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccn1 ZINC000683011199 488091020 /nfs/dbraw/zinc/09/10/20/488091020.db2.gz NXJOSCOZORDMCO-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO FC(F)O[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000683022921 488098293 /nfs/dbraw/zinc/09/82/93/488098293.db2.gz ZRUSRRNGRHRBRR-VIFPVBQESA-N 1 2 243.257 1.680 20 0 BDADLO FC(F)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000683022921 488098296 /nfs/dbraw/zinc/09/82/96/488098296.db2.gz ZRUSRRNGRHRBRR-VIFPVBQESA-N 1 2 243.257 1.680 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000683025257 488098620 /nfs/dbraw/zinc/09/86/20/488098620.db2.gz ZLRFHUOGTZGPDM-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000683025257 488098622 /nfs/dbraw/zinc/09/86/22/488098622.db2.gz ZLRFHUOGTZGPDM-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]nn1)C1CCC(F)CC1 ZINC000661999155 488105082 /nfs/dbraw/zinc/10/50/82/488105082.db2.gz RTMCFTYEBSVNSL-XNWIYYODSA-N 1 2 226.299 1.811 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]n1)C1CCC(F)CC1 ZINC000661999155 488105088 /nfs/dbraw/zinc/10/50/88/488105088.db2.gz RTMCFTYEBSVNSL-XNWIYYODSA-N 1 2 226.299 1.811 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cc(C)no1 ZINC000160126594 488108812 /nfs/dbraw/zinc/10/88/12/488108812.db2.gz YYJGPVZMOHEQKO-UHFFFAOYSA-N 1 2 234.303 1.879 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000084933951 488114544 /nfs/dbraw/zinc/11/45/44/488114544.db2.gz AZGVOMCUQMOOIR-QMMMGPOBSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000084933951 488114548 /nfs/dbraw/zinc/11/45/48/488114548.db2.gz AZGVOMCUQMOOIR-QMMMGPOBSA-N 1 2 231.217 1.671 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000677735789 488114670 /nfs/dbraw/zinc/11/46/70/488114670.db2.gz GYPBAVZDBBRURR-SSDOTTSWSA-N 1 2 243.261 1.095 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000677735789 488114678 /nfs/dbraw/zinc/11/46/78/488114678.db2.gz GYPBAVZDBBRURR-SSDOTTSWSA-N 1 2 243.261 1.095 20 0 BDADLO CC(C)c1nnc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000677803037 488125859 /nfs/dbraw/zinc/12/58/59/488125859.db2.gz WTLPADASJVKECC-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO C[N@H+](CCCC1CCC1)Cc1nnc[nH]1 ZINC000659994927 488130634 /nfs/dbraw/zinc/13/06/34/488130634.db2.gz PUQREUCUWFCBDN-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO C[N@@H+](CCCC1CCC1)Cc1nnc[nH]1 ZINC000659994927 488130639 /nfs/dbraw/zinc/13/06/39/488130639.db2.gz PUQREUCUWFCBDN-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO Cc1nc(C)c(CN(C)Cc2[nH+]ccn2C)o1 ZINC000685569632 487542168 /nfs/dbraw/zinc/54/21/68/487542168.db2.gz CQEHZLRLRGJWNC-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC=CC1 ZINC000655222674 487544066 /nfs/dbraw/zinc/54/40/66/487544066.db2.gz FJUZCMAZNUBKCQ-LLVKDONJSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCC1(F)F ZINC000673380504 487550345 /nfs/dbraw/zinc/55/03/45/487550345.db2.gz PIUPJDGDQFFEBR-QMMMGPOBSA-N 1 2 243.257 1.646 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766730 487552162 /nfs/dbraw/zinc/55/21/62/487552162.db2.gz ADKYAGWFEJSBIB-KOLCDFICSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766730 487552168 /nfs/dbraw/zinc/55/21/68/487552168.db2.gz ADKYAGWFEJSBIB-KOLCDFICSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766730 487552170 /nfs/dbraw/zinc/55/21/70/487552170.db2.gz ADKYAGWFEJSBIB-KOLCDFICSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766730 487552177 /nfs/dbraw/zinc/55/21/77/487552177.db2.gz ADKYAGWFEJSBIB-KOLCDFICSA-N 1 2 221.304 1.335 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@H]1CCCOC1)C2 ZINC000674300889 487553121 /nfs/dbraw/zinc/55/31/21/487553121.db2.gz IFMDTXVPMZETSR-LBPRGKRZSA-N 1 2 235.331 1.495 20 0 BDADLO Fc1cnccc1C[NH+]1CC2(C1)CCCOC2 ZINC000334636264 487531009 /nfs/dbraw/zinc/53/10/09/487531009.db2.gz CLLZJFRDFIRTDO-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO CCc1cccc(F)c1C[N@H+](C)CC(=O)NC ZINC000668788345 487533250 /nfs/dbraw/zinc/53/32/50/487533250.db2.gz NDQQGQOBUWLVGE-UHFFFAOYSA-N 1 2 238.306 1.566 20 0 BDADLO CCc1cccc(F)c1C[N@@H+](C)CC(=O)NC ZINC000668788345 487533258 /nfs/dbraw/zinc/53/32/58/487533258.db2.gz NDQQGQOBUWLVGE-UHFFFAOYSA-N 1 2 238.306 1.566 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1C ZINC000086011137 487471714 /nfs/dbraw/zinc/47/17/14/487471714.db2.gz ZDJLWWMCTBKXPC-AOOOYVTPSA-N 1 2 206.289 1.666 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H]1C ZINC000086011139 487471808 /nfs/dbraw/zinc/47/18/08/487471808.db2.gz ZDJLWWMCTBKXPC-UWVGGRQHSA-N 1 2 206.289 1.666 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC[C@@H](C)C1)CC2 ZINC000679894462 487481437 /nfs/dbraw/zinc/48/14/37/487481437.db2.gz XSKQYVISDHWIOS-PWSUYJOCSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1c[nH]cc1C)CC2 ZINC000679894263 487481808 /nfs/dbraw/zinc/48/18/08/487481808.db2.gz OESLOTHRVRZDCK-UHFFFAOYSA-N 1 2 244.298 1.484 20 0 BDADLO Cc1cn2c([nH+]1)CN([C@H](C)c1nc(C)no1)CC2 ZINC000679869408 487477807 /nfs/dbraw/zinc/47/78/07/487477807.db2.gz OHUHCIGPFRIRSG-SECBINFHSA-N 1 2 247.302 1.460 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCOCC1CC1)CC2 ZINC000679870045 487478596 /nfs/dbraw/zinc/47/85/96/487478596.db2.gz YAYWRKSEBFUSCR-UHFFFAOYSA-N 1 2 235.331 1.434 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(C)nn1 ZINC000093602080 487480408 /nfs/dbraw/zinc/48/04/08/487480408.db2.gz PNAZBJKEWUXOLV-UHFFFAOYSA-N 1 2 204.233 1.038 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000674008371 487498533 /nfs/dbraw/zinc/49/85/33/487498533.db2.gz DPHQRWWKQJSXDE-LLVKDONJSA-N 1 2 245.326 1.449 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000674008371 487498537 /nfs/dbraw/zinc/49/85/37/487498537.db2.gz DPHQRWWKQJSXDE-LLVKDONJSA-N 1 2 245.326 1.449 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cncnc2)c1 ZINC000680627286 487493394 /nfs/dbraw/zinc/49/33/94/487493394.db2.gz CTDHVECPZJTOSW-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO CCOC1C[NH+](Cc2c(C3CCC3)cnn2C)C1 ZINC000668231173 487496462 /nfs/dbraw/zinc/49/64/62/487496462.db2.gz PGRWULVUDRPFJD-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009567 487497878 /nfs/dbraw/zinc/49/78/78/487497878.db2.gz JTHPEXALOSBNOZ-LBPRGKRZSA-N 1 2 236.290 1.661 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674009567 487497882 /nfs/dbraw/zinc/49/78/82/487497882.db2.gz JTHPEXALOSBNOZ-LBPRGKRZSA-N 1 2 236.290 1.661 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669297275 487503786 /nfs/dbraw/zinc/50/37/86/487503786.db2.gz UBKBDYOHUAYYAS-VIFPVBQESA-N 1 2 244.298 1.159 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669297275 487503791 /nfs/dbraw/zinc/50/37/91/487503791.db2.gz UBKBDYOHUAYYAS-VIFPVBQESA-N 1 2 244.298 1.159 20 0 BDADLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@@H]1C[C@H]1C ZINC000666120226 487504004 /nfs/dbraw/zinc/50/40/04/487504004.db2.gz LSWYWYFCDWZBHL-NTZNESFSSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1ncsc1C[NH2+]Cc1ccon1 ZINC000086452631 487511170 /nfs/dbraw/zinc/51/11/70/487511170.db2.gz DZWHVWWOXRUMPT-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1c(C)n[nH]c1C)CC2 ZINC000679999995 487513592 /nfs/dbraw/zinc/51/35/92/487513592.db2.gz ANDZZVXNTPJJGG-UHFFFAOYSA-N 1 2 245.330 1.547 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1c(C)n[nH]c1C)CC2 ZINC000679999995 487513595 /nfs/dbraw/zinc/51/35/95/487513595.db2.gz ANDZZVXNTPJJGG-UHFFFAOYSA-N 1 2 245.330 1.547 20 0 BDADLO C[C@H](CC(N)=O)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000674065736 487507232 /nfs/dbraw/zinc/50/72/32/487507232.db2.gz FEPOSAHBUURDHS-MRVPVSSYSA-N 1 2 236.319 1.450 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)C1CCCC1 ZINC000674092407 487517787 /nfs/dbraw/zinc/51/77/87/487517787.db2.gz LXWLOJYYNRVDQD-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C(F)(F)F)C1 ZINC000669327560 487524409 /nfs/dbraw/zinc/52/44/09/487524409.db2.gz JTSGTMFCBPFUBA-UHFFFAOYSA-N 1 2 247.220 1.281 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CO)C2)s1 ZINC000680045629 487526492 /nfs/dbraw/zinc/52/64/92/487526492.db2.gz LOEUHBBECOGGCE-SECBINFHSA-N 1 2 241.360 1.305 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](CO)C2)s1 ZINC000680045629 487526494 /nfs/dbraw/zinc/52/64/94/487526494.db2.gz LOEUHBBECOGGCE-SECBINFHSA-N 1 2 241.360 1.305 20 0 BDADLO Cc1cc(CNc2[nH+]c(C)nc3[nH]ccc32)[nH]n1 ZINC000674337087 487561417 /nfs/dbraw/zinc/56/14/17/487561417.db2.gz AVAWYWBGVJAZIG-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO Cc1cc(CNc2[nH+]c(C)nc3[nH]ccc32)n[nH]1 ZINC000674337087 487561421 /nfs/dbraw/zinc/56/14/21/487561421.db2.gz AVAWYWBGVJAZIG-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO CCN1CC[N@H+](CCCOC(C)(C)C)CC1=O ZINC000680436900 487593896 /nfs/dbraw/zinc/59/38/96/487593896.db2.gz XYANLTMEKFLNKF-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO CCN1CC[N@@H+](CCCOC(C)(C)C)CC1=O ZINC000680436900 487593905 /nfs/dbraw/zinc/59/39/05/487593905.db2.gz XYANLTMEKFLNKF-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnc2ccccn12 ZINC000675246686 487683562 /nfs/dbraw/zinc/68/35/62/487683562.db2.gz FTZLBNRQRWZETC-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnc2ccccn12 ZINC000675246686 487683568 /nfs/dbraw/zinc/68/35/68/487683568.db2.gz FTZLBNRQRWZETC-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)C[C@H]1CCCO1 ZINC000681358130 487783636 /nfs/dbraw/zinc/78/36/36/487783636.db2.gz QTIBYNDIMQUOID-SNVBAGLBSA-N 1 2 249.314 1.077 20 0 BDADLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)n2ncnc2n1 ZINC000139924785 487905397 /nfs/dbraw/zinc/90/53/97/487905397.db2.gz RRFSWFZXLGBOAS-MRVPVSSYSA-N 1 2 243.274 1.329 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682456313 487967784 /nfs/dbraw/zinc/96/77/84/487967784.db2.gz UFQYDLOKSCZXRE-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(N)=O)c1ccccc1 ZINC000074017614 487988880 /nfs/dbraw/zinc/98/88/80/487988880.db2.gz ODLUASDVAFYZPA-JTQLQIEISA-N 1 2 230.271 1.178 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC1CC(F)(F)C1 ZINC000683258644 488136451 /nfs/dbraw/zinc/13/64/51/488136451.db2.gz JKLRJGIFELMEPJ-UHFFFAOYSA-N 1 2 243.257 1.577 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668704525 488142168 /nfs/dbraw/zinc/14/21/68/488142168.db2.gz DIIUHNHMFMTXCY-JQWIXIFHSA-N 1 2 221.304 1.186 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668704525 488142170 /nfs/dbraw/zinc/14/21/70/488142170.db2.gz DIIUHNHMFMTXCY-JQWIXIFHSA-N 1 2 221.304 1.186 20 0 BDADLO CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)O ZINC000294203382 488146831 /nfs/dbraw/zinc/14/68/31/488146831.db2.gz SKAWTBUCOIHAOP-SNVBAGLBSA-N 1 2 239.319 1.008 20 0 BDADLO CC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)O ZINC000294203382 488146834 /nfs/dbraw/zinc/14/68/34/488146834.db2.gz SKAWTBUCOIHAOP-SNVBAGLBSA-N 1 2 239.319 1.008 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cn(CC)nn2)cn1 ZINC000404512833 488165809 /nfs/dbraw/zinc/16/58/09/488165809.db2.gz SBQQOFVONJTCGM-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO Cc1cn2nc(N(C)Cc3c[nH+]c[nH]3)sc2n1 ZINC000664128319 488177614 /nfs/dbraw/zinc/17/76/14/488177614.db2.gz VUSWJRIVYQFDAW-UHFFFAOYSA-N 1 2 248.315 1.459 20 0 BDADLO Cc1cn2nc(N(C)Cc3c[nH]c[nH+]3)sc2n1 ZINC000664128319 488177618 /nfs/dbraw/zinc/17/76/18/488177618.db2.gz VUSWJRIVYQFDAW-UHFFFAOYSA-N 1 2 248.315 1.459 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](C)CO)no1 ZINC000678044650 488180323 /nfs/dbraw/zinc/18/03/23/488180323.db2.gz WZGUUXSSZJGUIR-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](C)CO)no1 ZINC000678044650 488180325 /nfs/dbraw/zinc/18/03/25/488180325.db2.gz WZGUUXSSZJGUIR-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1COC(C)(C)C1 ZINC000664144339 488186520 /nfs/dbraw/zinc/18/65/20/488186520.db2.gz FBOLPIJMADFSOZ-SECBINFHSA-N 1 2 237.303 1.773 20 0 BDADLO C[C@H]1COC(C)(C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668058304 488196530 /nfs/dbraw/zinc/19/65/30/488196530.db2.gz MFYTVSBRIRBGTB-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO Cc1cc(NC(=O)N2CC(C(C)C)C2)cc[nH+]1 ZINC000678094891 488196886 /nfs/dbraw/zinc/19/68/86/488196886.db2.gz MQTWCVDDEPSTHA-UHFFFAOYSA-N 1 2 233.315 1.932 20 0 BDADLO Cc1cc(NC(=O)NCC[C@H]2CCCO2)cc[nH+]1 ZINC000678096320 488197737 /nfs/dbraw/zinc/19/77/37/488197737.db2.gz LBZYYLUVMQVRFL-GFCCVEGCSA-N 1 2 249.314 1.503 20 0 BDADLO CC1C[NH+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000668093132 488202129 /nfs/dbraw/zinc/20/21/29/488202129.db2.gz CDIZKUGBPMRRFW-UHFFFAOYSA-N 1 2 233.237 1.891 20 0 BDADLO Cc1ccc(C[N@@H+](Cc2cnnn2C)C2CC2)o1 ZINC000678135955 488203852 /nfs/dbraw/zinc/20/38/52/488203852.db2.gz WGDOWFYLZRAREW-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO Cc1ccc(C[N@H+](Cc2cnnn2C)C2CC2)o1 ZINC000678135955 488203854 /nfs/dbraw/zinc/20/38/54/488203854.db2.gz WGDOWFYLZRAREW-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO COc1ccc(N[C@H](C)c2ccnn2C)[nH+]c1 ZINC000683692343 488207944 /nfs/dbraw/zinc/20/79/44/488207944.db2.gz HOBWVEDALHWODH-SECBINFHSA-N 1 2 232.287 1.997 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(N)c1)c1csnn1 ZINC000398327889 488216610 /nfs/dbraw/zinc/21/66/10/488216610.db2.gz JUAANYACRPEFBR-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccncc1 ZINC000678218122 488219540 /nfs/dbraw/zinc/21/95/40/488219540.db2.gz CWBVPANRQMVYRY-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000683785056 488221197 /nfs/dbraw/zinc/22/11/97/488221197.db2.gz DXKPCCYAXMFAES-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000683785056 488221199 /nfs/dbraw/zinc/22/11/99/488221199.db2.gz DXKPCCYAXMFAES-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000668213445 488228040 /nfs/dbraw/zinc/22/80/40/488228040.db2.gz AWLYJKKMXLSJJV-LLVKDONJSA-N 1 2 223.295 1.837 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000668213445 488228043 /nfs/dbraw/zinc/22/80/43/488228043.db2.gz AWLYJKKMXLSJJV-LLVKDONJSA-N 1 2 223.295 1.837 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678275793 488235779 /nfs/dbraw/zinc/23/57/79/488235779.db2.gz CBPSOHAGEKMYRO-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1ncccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678275793 488235780 /nfs/dbraw/zinc/23/57/80/488235780.db2.gz CBPSOHAGEKMYRO-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145170 488240762 /nfs/dbraw/zinc/24/07/62/488240762.db2.gz YBFYLSIWTXMBHM-SECBINFHSA-N 1 2 207.277 1.114 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148648 488241150 /nfs/dbraw/zinc/24/11/50/488241150.db2.gz UKGKDWZELODDLS-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672156350 488242609 /nfs/dbraw/zinc/24/26/09/488242609.db2.gz KIIDNUHRAFKIAF-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC12CCC2 ZINC000672157509 488242817 /nfs/dbraw/zinc/24/28/17/488242817.db2.gz DKUDZMNWIDRKGN-CMPLNLGQSA-N 1 2 245.326 1.504 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(C)(C)C1 ZINC000683922403 488245340 /nfs/dbraw/zinc/24/53/40/488245340.db2.gz YEYKHBKKBYGXBW-JTQLQIEISA-N 1 2 236.319 1.323 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1F ZINC000683995816 488254274 /nfs/dbraw/zinc/25/42/74/488254274.db2.gz KZENGCJKVOUNOC-OUAUKWLOSA-N 1 2 249.351 1.101 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1F ZINC000683995816 488254278 /nfs/dbraw/zinc/25/42/78/488254278.db2.gz KZENGCJKVOUNOC-OUAUKWLOSA-N 1 2 249.351 1.101 20 0 BDADLO CC1(C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000684084471 488263104 /nfs/dbraw/zinc/26/31/04/488263104.db2.gz VPAGMIGGNSRLQP-JTQLQIEISA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCC1 ZINC000673037444 488272092 /nfs/dbraw/zinc/27/20/92/488272092.db2.gz GKLJPDQQDMXJEV-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CCOC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000678623307 488273226 /nfs/dbraw/zinc/27/32/26/488273226.db2.gz NNPVCNPIPXYJRN-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000673093582 488276602 /nfs/dbraw/zinc/27/66/02/488276602.db2.gz GXOWYVDPCMPKPN-PWSUYJOCSA-N 1 2 233.315 1.364 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)C(=O)NC(C)(C)C ZINC000678787199 488282638 /nfs/dbraw/zinc/28/26/38/488282638.db2.gz CBJDTGZHSHUZQM-QMMMGPOBSA-N 1 2 239.294 1.358 20 0 BDADLO Cc1cccn2cc(CC(=O)N[C@H](C)CF)[nH+]c12 ZINC000673389468 488283861 /nfs/dbraw/zinc/28/38/61/488283861.db2.gz OEPCZAGFHQOVRP-SNVBAGLBSA-N 1 2 249.289 1.659 20 0 BDADLO CC(=O)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000673436077 488286640 /nfs/dbraw/zinc/28/66/40/488286640.db2.gz SHWFTOQRZDXLAM-UHFFFAOYSA-N 1 2 231.255 1.642 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678833546 488289672 /nfs/dbraw/zinc/28/96/72/488289672.db2.gz FDBRJBMRAGJPCY-UHFFFAOYSA-N 1 2 245.330 1.264 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678833546 488289674 /nfs/dbraw/zinc/28/96/74/488289674.db2.gz FDBRJBMRAGJPCY-UHFFFAOYSA-N 1 2 245.330 1.264 20 0 BDADLO Cn1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000678892456 488293934 /nfs/dbraw/zinc/29/39/34/488293934.db2.gz UPGPBGWBTIRFGF-QMMMGPOBSA-N 1 2 233.237 1.804 20 0 BDADLO Cn1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000678892456 488293936 /nfs/dbraw/zinc/29/39/36/488293936.db2.gz UPGPBGWBTIRFGF-QMMMGPOBSA-N 1 2 233.237 1.804 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnc(C2CC2)nc1 ZINC000673658532 488300753 /nfs/dbraw/zinc/30/07/53/488300753.db2.gz ZNRZFKPQZCQWCM-UHFFFAOYSA-N 1 2 243.270 1.189 20 0 BDADLO Cc1cc(COCc2[nH]cc[nH+]2)nn1C ZINC000679008511 488302741 /nfs/dbraw/zinc/30/27/41/488302741.db2.gz KPDHUTUXOWQGDI-UHFFFAOYSA-N 1 2 206.249 1.168 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnn(CC2CC2)c1 ZINC000673683996 488303259 /nfs/dbraw/zinc/30/32/59/488303259.db2.gz DPEDXSGKWNPHPQ-UHFFFAOYSA-N 1 2 245.286 1.128 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC=CCC1 ZINC000679323120 488336761 /nfs/dbraw/zinc/33/67/61/488336761.db2.gz IZVLEVATVOQISB-QMMMGPOBSA-N 1 2 236.237 1.315 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC=CCC1 ZINC000679323120 488336764 /nfs/dbraw/zinc/33/67/64/488336764.db2.gz IZVLEVATVOQISB-QMMMGPOBSA-N 1 2 236.237 1.315 20 0 BDADLO CCCc1cc(C(=O)NCc2[nH]c[nH+]c2C)[nH]n1 ZINC000673812844 488307793 /nfs/dbraw/zinc/30/77/93/488307793.db2.gz CQKIHCDRRXEZSG-UHFFFAOYSA-N 1 2 247.302 1.324 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@H](F)C2)nc[nH+]1 ZINC000679192659 488316024 /nfs/dbraw/zinc/31/60/24/488316024.db2.gz OQCRAWMGULLIKK-WCBMZHEXSA-N 1 2 209.268 1.969 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N1CC=CCC1 ZINC000679286644 488329312 /nfs/dbraw/zinc/32/93/12/488329312.db2.gz ZLRISUKJPUYGJW-UHFFFAOYSA-N 1 2 248.330 1.635 20 0 BDADLO C1=CC[N@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000679323417 488337356 /nfs/dbraw/zinc/33/73/56/488337356.db2.gz IELPQQCWPBQBEU-UHFFFAOYSA-N 1 2 205.261 1.709 20 0 BDADLO C1=CC[N@@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000679323417 488337358 /nfs/dbraw/zinc/33/73/58/488337358.db2.gz IELPQQCWPBQBEU-UHFFFAOYSA-N 1 2 205.261 1.709 20 0 BDADLO CCc1noc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000684773604 488341528 /nfs/dbraw/zinc/34/15/28/488341528.db2.gz AOGZERCAMNOJMX-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCc1noc(C[N@H+]2CCC=C(C)C2)n1 ZINC000684773604 488341529 /nfs/dbraw/zinc/34/15/29/488341529.db2.gz AOGZERCAMNOJMX-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnc3cnccn23)C[C@H]1F ZINC000679358053 488344781 /nfs/dbraw/zinc/34/47/81/488344781.db2.gz FMNINLSBVSKYLC-CMPLNLGQSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C[C@H]1F ZINC000679358053 488344783 /nfs/dbraw/zinc/34/47/83/488344783.db2.gz FMNINLSBVSKYLC-CMPLNLGQSA-N 1 2 248.305 1.909 20 0 BDADLO Cn1nccc1C[NH+]1CC(C(F)F)C1 ZINC000679369372 488347615 /nfs/dbraw/zinc/34/76/15/488347615.db2.gz UYVAOGFOFQDSQI-UHFFFAOYSA-N 1 2 201.220 1.117 20 0 BDADLO c1[nH]cc(NCc2c[nH]nc2-c2cccnc2)[nH+]1 ZINC000684836611 488347888 /nfs/dbraw/zinc/34/78/88/488347888.db2.gz YZXAZBLGUBYGDP-UHFFFAOYSA-N 1 2 240.270 1.807 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@@H](c3ccco3)C2)c1 ZINC000684837513 488348372 /nfs/dbraw/zinc/34/83/72/488348372.db2.gz IWNNJQIBLLPEAD-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684854771 488349515 /nfs/dbraw/zinc/34/95/15/488349515.db2.gz ZABUUWGVRNLPGC-WDEREUQCSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)o1 ZINC000679679302 488363513 /nfs/dbraw/zinc/36/35/13/488363513.db2.gz AKTDGHVSTGWBCQ-MRVPVSSYSA-N 1 2 247.245 1.582 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](OC(F)F)C2)o1 ZINC000679679302 488363514 /nfs/dbraw/zinc/36/35/14/488363514.db2.gz AKTDGHVSTGWBCQ-MRVPVSSYSA-N 1 2 247.245 1.582 20 0 BDADLO COc1cc(C)c(C[NH2+]Cc2cocn2)c(C)n1 ZINC000679750019 488365779 /nfs/dbraw/zinc/36/57/79/488365779.db2.gz SLAUYZLLQHYWSU-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COC[C@@H](C)CNc1ccc(OC)c[nH+]1 ZINC000220798457 490143907 /nfs/dbraw/zinc/14/39/07/490143907.db2.gz SZWHEZLVVJLZFB-VIFPVBQESA-N 1 2 210.277 1.785 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1CC2(CCC2)C1 ZINC000652969224 490149994 /nfs/dbraw/zinc/14/99/94/490149994.db2.gz SLFYTOLIAIAGEJ-UHFFFAOYSA-N 1 2 219.288 1.332 20 0 BDADLO CCC[N@H+](CC)Cc1nnn(C(C)(C)C)n1 ZINC000653509879 490158849 /nfs/dbraw/zinc/15/88/49/490158849.db2.gz ASZQYTUFTMCPOY-UHFFFAOYSA-N 1 2 225.340 1.660 20 0 BDADLO CCC[N@@H+](CC)Cc1nnn(C(C)(C)C)n1 ZINC000653509879 490158857 /nfs/dbraw/zinc/15/88/57/490158857.db2.gz ASZQYTUFTMCPOY-UHFFFAOYSA-N 1 2 225.340 1.660 20 0 BDADLO CN1C[C@@H]([N@H+](C)Cc2cscn2)CCC1=O ZINC000653696303 490192799 /nfs/dbraw/zinc/19/27/99/490192799.db2.gz ZQYAWYVUQUHNBJ-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CN1C[C@@H]([N@@H+](C)Cc2cscn2)CCC1=O ZINC000653696303 490192807 /nfs/dbraw/zinc/19/28/07/490192807.db2.gz ZQYAWYVUQUHNBJ-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2ncco2)C[C@H](C)O1 ZINC000566497782 490204492 /nfs/dbraw/zinc/20/44/92/490204492.db2.gz KARWVIXAJYYJNN-AOOOYVTPSA-N 1 2 242.344 1.876 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2ncco2)C[C@H](C)O1 ZINC000566497782 490204486 /nfs/dbraw/zinc/20/44/86/490204486.db2.gz KARWVIXAJYYJNN-AOOOYVTPSA-N 1 2 242.344 1.876 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C2(CCC2)CO1 ZINC000649822116 490205469 /nfs/dbraw/zinc/20/54/69/490205469.db2.gz YVKWGTIENXRXIW-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C2(CCC2)CO1 ZINC000649822116 490205477 /nfs/dbraw/zinc/20/54/77/490205477.db2.gz YVKWGTIENXRXIW-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO O[C@]1(CCNc2cccc[nH+]2)CCOC1 ZINC000404154448 490225170 /nfs/dbraw/zinc/22/51/70/490225170.db2.gz SARXWFDSTZYNHI-LLVKDONJSA-N 1 2 208.261 1.035 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)NC1CC1 ZINC000229134998 490244129 /nfs/dbraw/zinc/24/41/29/490244129.db2.gz FREYEQBZRZYGII-YUMQZZPRSA-N 1 2 239.344 1.461 20 0 BDADLO Cc1cc(C)cc(C[N@H+](C)Cc2n[nH]c(=O)[nH]2)c1 ZINC000444717253 490256781 /nfs/dbraw/zinc/25/67/81/490256781.db2.gz RTARAJWGMSCBHA-UHFFFAOYSA-N 1 2 246.314 1.759 20 0 BDADLO Cc1cc(C)cc(C[N@@H+](C)Cc2n[nH]c(=O)[nH]2)c1 ZINC000444717253 490256786 /nfs/dbraw/zinc/25/67/86/490256786.db2.gz RTARAJWGMSCBHA-UHFFFAOYSA-N 1 2 246.314 1.759 20 0 BDADLO Cc1ccoc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657570763 490285599 /nfs/dbraw/zinc/28/55/99/490285599.db2.gz SYSJZLWIZMQHNB-UWVGGRQHSA-N 1 2 232.287 1.975 20 0 BDADLO CCCc1noc(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000079769247 490461719 /nfs/dbraw/zinc/46/17/19/490461719.db2.gz JLZSOUFQBXTFQS-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000079769247 490461726 /nfs/dbraw/zinc/46/17/26/490461726.db2.gz JLZSOUFQBXTFQS-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCOC[C@@H]1C ZINC000300838023 490570971 /nfs/dbraw/zinc/57/09/71/490570971.db2.gz IZAMHDRNOBBDIW-VHSXEESVSA-N 1 2 222.288 1.927 20 0 BDADLO COc1ccc(N[C@H]2CCOC[C@H]2C)[nH+]c1 ZINC000300862394 490572212 /nfs/dbraw/zinc/57/22/12/490572212.db2.gz NWTWSINNNURCOL-KOLCDFICSA-N 1 2 222.288 1.927 20 0 BDADLO Cc1nc(NCC(=O)NC2CCCC2)cc[nH+]1 ZINC000608081030 491108599 /nfs/dbraw/zinc/10/85/99/491108599.db2.gz UMKTZIOOWZMUBU-UHFFFAOYSA-N 1 2 234.303 1.256 20 0 BDADLO CC(C)(C)c1nc(Cn2cc[nH+]c2)no1 ZINC000076829836 491125616 /nfs/dbraw/zinc/12/56/16/491125616.db2.gz HBKVIEBPWAQUHX-UHFFFAOYSA-N 1 2 206.249 1.612 20 0 BDADLO CC(C)(C)CCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000230191858 491128186 /nfs/dbraw/zinc/12/81/86/491128186.db2.gz HMNZGMYTLBAAQT-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1cccc1 ZINC000081257859 491134098 /nfs/dbraw/zinc/13/40/98/491134098.db2.gz DLEKVHCCORVXEW-LBPRGKRZSA-N 1 2 246.314 1.280 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@H](C)OC ZINC000308963003 491141386 /nfs/dbraw/zinc/14/13/86/491141386.db2.gz SMJSLPAWHODACZ-IUCAKERBSA-N 1 2 210.277 1.926 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nccn2C)[nH]n1 ZINC000309741157 491155734 /nfs/dbraw/zinc/15/57/34/491155734.db2.gz DIPIEOMLVZYWEI-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cn1cnnc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000310242602 491160835 /nfs/dbraw/zinc/16/08/35/491160835.db2.gz BVWVLOSQFVRUEU-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1cnnc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000310242602 491160836 /nfs/dbraw/zinc/16/08/36/491160836.db2.gz BVWVLOSQFVRUEU-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1nncs1 ZINC000174054383 533740298 /nfs/dbraw/zinc/74/02/98/533740298.db2.gz YAQZOEXGGMSZNW-YUMQZZPRSA-N 1 2 240.332 1.349 20 0 BDADLO Cc1ccc(CCC(=O)NCc2[nH+]ccn2C)o1 ZINC000471884641 533774849 /nfs/dbraw/zinc/77/48/49/533774849.db2.gz NIYDUBFJHTYGFF-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO CCOC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000054614204 535525080 /nfs/dbraw/zinc/52/50/80/535525080.db2.gz PJPCQUJFKMIRRY-LLVKDONJSA-N 1 2 234.299 1.861 20 0 BDADLO CCC[C@H](C)C[N@@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249390669 535612543 /nfs/dbraw/zinc/61/25/43/535612543.db2.gz YIZPEOOOMKPPPL-RYUDHWBXSA-N 1 2 247.404 1.789 20 0 BDADLO CCC[C@H](C)C[N@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249390669 535612548 /nfs/dbraw/zinc/61/25/48/535612548.db2.gz YIZPEOOOMKPPPL-RYUDHWBXSA-N 1 2 247.404 1.789 20 0 BDADLO Cc1cc(NC[C@@H](CO)c2ccccc2)nc[nH+]1 ZINC000487657856 534031962 /nfs/dbraw/zinc/03/19/62/534031962.db2.gz SQTWWIZXFQRBNK-ZDUSSCGKSA-N 1 2 243.310 1.395 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CCCCCO ZINC000227115991 535643446 /nfs/dbraw/zinc/64/34/46/535643446.db2.gz GUSXTQLXQMCEFT-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CCCCCO ZINC000227115991 535643451 /nfs/dbraw/zinc/64/34/51/535643451.db2.gz GUSXTQLXQMCEFT-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO CC[C@@H](NC(=O)c1cnn(CC)c1)c1[nH]cc[nH+]1 ZINC000347944430 535802127 /nfs/dbraw/zinc/80/21/27/535802127.db2.gz DHTPAIWRXLAGFE-SNVBAGLBSA-N 1 2 247.302 1.507 20 0 BDADLO C[C@@]1(F)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493715946 534271220 /nfs/dbraw/zinc/27/12/20/534271220.db2.gz BJIWRCYHBWCNJM-KXMPLOMGSA-N 1 2 223.251 1.383 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000527703710 518185203 /nfs/dbraw/zinc/18/52/03/518185203.db2.gz AAOHEVNKKUKQBK-XDTLVQLUSA-N 1 2 247.342 1.671 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488406741 534436485 /nfs/dbraw/zinc/43/64/85/534436485.db2.gz BGVSDFRHBHVPKJ-IUCAKERBSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000488406741 534436489 /nfs/dbraw/zinc/43/64/89/534436489.db2.gz BGVSDFRHBHVPKJ-IUCAKERBSA-N 1 2 235.335 1.481 20 0 BDADLO CC(=O)N[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335569672 534594850 /nfs/dbraw/zinc/59/48/50/534594850.db2.gz RFAKABIYCYLOEI-SNVBAGLBSA-N 1 2 244.298 1.278 20 0 BDADLO Cc1cncc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492809347 534683105 /nfs/dbraw/zinc/68/31/05/534683105.db2.gz FUYPUNBOXUTRMH-IHWYPQMZSA-N 1 2 228.255 1.765 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccoc2C)CC1 ZINC000335261421 534793713 /nfs/dbraw/zinc/79/37/13/534793713.db2.gz JSWAYXJYRDMODS-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCC(F)(F)F ZINC000492899812 534803237 /nfs/dbraw/zinc/80/32/37/534803237.db2.gz MZLBZLVAINJEIZ-UPHRSURJSA-N 1 2 235.165 1.033 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1nccs1 ZINC000493608428 534804834 /nfs/dbraw/zinc/80/48/34/534804834.db2.gz DPUCKPNOLQGOKA-UPHRSURJSA-N 1 2 220.257 1.518 20 0 BDADLO CC(C)c1nc(N2CCO[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000368047213 534910339 /nfs/dbraw/zinc/91/03/39/534910339.db2.gz SINIVSMSNCGKBX-VHSXEESVSA-N 1 2 219.288 1.578 20 0 BDADLO C/C=C/C=C/C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000493087190 527581494 /nfs/dbraw/zinc/58/14/94/527581494.db2.gz ATNWOAYGBHYBKO-FQTVTVBISA-N 1 2 244.285 1.480 20 0 BDADLO CCO[C@@H]1CCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493127584 527745405 /nfs/dbraw/zinc/74/54/05/527745405.db2.gz ZOGNCQOKTWRFLE-AFPRHGJPSA-N 1 2 249.314 1.497 20 0 BDADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493591050 527770966 /nfs/dbraw/zinc/77/09/66/527770966.db2.gz VRJSSAJQEPNWBI-ARJAWSKDSA-N 1 2 205.261 1.482 20 0 BDADLO CCC[N@H+](C)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000471904295 527825677 /nfs/dbraw/zinc/82/56/77/527825677.db2.gz BRPJAZMWODPJGO-UHFFFAOYSA-N 1 2 247.302 1.238 20 0 BDADLO CCC[N@@H+](C)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000471904295 527825682 /nfs/dbraw/zinc/82/56/82/527825682.db2.gz BRPJAZMWODPJGO-UHFFFAOYSA-N 1 2 247.302 1.238 20 0 BDADLO CC(C)CN(C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493425718 527909025 /nfs/dbraw/zinc/90/90/25/527909025.db2.gz FUCRTEUIXOABIL-PLNGDYQASA-N 1 2 207.277 1.537 20 0 BDADLO CC1=C(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492856875 528084683 /nfs/dbraw/zinc/08/46/83/528084683.db2.gz CNOVBVYXCCZAMU-ARJAWSKDSA-N 1 2 231.299 1.992 20 0 BDADLO Cc1cnnc(N(C)Cc2[nH]cc[nH+]2)c1 ZINC000892558656 582913725 /nfs/dbraw/zinc/91/37/25/582913725.db2.gz AAYQDQPSINZHBB-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493447211 528257739 /nfs/dbraw/zinc/25/77/39/528257739.db2.gz DGCGUZSXIWBPQO-ORAHPGNNSA-N 1 2 221.304 1.974 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493399822 528258213 /nfs/dbraw/zinc/25/82/13/528258213.db2.gz YATUBWIDVCCLEI-UMCURTJPSA-N 1 2 221.304 1.974 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488179044 528504097 /nfs/dbraw/zinc/50/40/97/528504097.db2.gz GMVDFMGDCSTOKJ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488179044 528504103 /nfs/dbraw/zinc/50/41/03/528504103.db2.gz GMVDFMGDCSTOKJ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCO/C=C\C(=O)NCCCNc1cccc[nH+]1 ZINC000493563367 528522734 /nfs/dbraw/zinc/52/27/34/528522734.db2.gz VXVZVAIMESCHBR-XFFZJAGNSA-N 1 2 249.314 1.550 20 0 BDADLO CC(C)n1cc(COCc2[nH]cc[nH+]2)nn1 ZINC000488251143 528568137 /nfs/dbraw/zinc/56/81/37/528568137.db2.gz PFRSWBFLLNOWFC-UHFFFAOYSA-N 1 2 221.264 1.299 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493160921 528722613 /nfs/dbraw/zinc/72/26/13/528722613.db2.gz SNRMBBZKJWGERS-PORFMDCZSA-N 1 2 237.303 1.306 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493691354 528766211 /nfs/dbraw/zinc/76/62/11/528766211.db2.gz PWEJHXRAFQNNSC-UTCJRWHESA-N 1 2 219.288 1.822 20 0 BDADLO CCC(CC)N(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000494848651 528774290 /nfs/dbraw/zinc/77/42/90/528774290.db2.gz YCERELLGABRVIK-LBPRGKRZSA-N 1 2 242.363 1.354 20 0 BDADLO CCC(CC)N(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000494848651 528774295 /nfs/dbraw/zinc/77/42/95/528774295.db2.gz YCERELLGABRVIK-LBPRGKRZSA-N 1 2 242.363 1.354 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000492762169 528911361 /nfs/dbraw/zinc/91/13/61/528911361.db2.gz HHONMHTZVYVWPZ-WAYWQWQTSA-N 1 2 207.277 1.680 20 0 BDADLO CC1(C)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493527536 528940897 /nfs/dbraw/zinc/94/08/97/528940897.db2.gz OXTVUIZKUJIXLI-SNAWJCMRSA-N 1 2 219.288 1.824 20 0 BDADLO CC1(C)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493166584 529001681 /nfs/dbraw/zinc/00/16/81/529001681.db2.gz ZBMXZKIMRFPOSC-ONEGZZNKSA-N 1 2 219.288 1.681 20 0 BDADLO CCC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493662150 529025077 /nfs/dbraw/zinc/02/50/77/529025077.db2.gz WTWVEZOPJNPVNO-SNAWJCMRSA-N 1 2 219.288 1.681 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccccn1 ZINC000495230258 529192109 /nfs/dbraw/zinc/19/21/09/529192109.db2.gz MBCIFUTZIGWFHH-ZDUSSCGKSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccccn1 ZINC000495230258 529192111 /nfs/dbraw/zinc/19/21/11/529192111.db2.gz MBCIFUTZIGWFHH-ZDUSSCGKSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762557 529238594 /nfs/dbraw/zinc/23/85/94/529238594.db2.gz HSCCBSLMZIJEOY-QEJZFVATSA-N 1 2 221.304 1.974 20 0 BDADLO CC[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493256451 529322772 /nfs/dbraw/zinc/32/27/72/529322772.db2.gz FUKUSYJFQAQMRT-HMDXOVGESA-N 1 2 219.288 1.681 20 0 BDADLO CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000493862405 529346619 /nfs/dbraw/zinc/34/66/19/529346619.db2.gz YXBNREDDJSZNJF-BXXZLRJFSA-N 1 2 249.314 1.449 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249340370 535063627 /nfs/dbraw/zinc/06/36/27/535063627.db2.gz SJORQCJJXFHFHJ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249340370 535063634 /nfs/dbraw/zinc/06/36/34/535063634.db2.gz SJORQCJJXFHFHJ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CC1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCC1 ZINC000261856619 535146293 /nfs/dbraw/zinc/14/62/93/535146293.db2.gz AAXKGESYZJFSEX-MRVPVSSYSA-N 1 2 232.274 1.290 20 0 BDADLO CC1=C(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000335738534 535227188 /nfs/dbraw/zinc/22/71/88/535227188.db2.gz LQECJIJTDXASAR-LLVKDONJSA-N 1 2 245.326 1.815 20 0 BDADLO CC(C)C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262980095 535376858 /nfs/dbraw/zinc/37/68/58/535376858.db2.gz MQIRCBUFKZEPMM-VIFPVBQESA-N 1 2 246.301 1.536 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351096136 535432640 /nfs/dbraw/zinc/43/26/40/535432640.db2.gz GPMYTAHQICEFPV-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351096136 535432642 /nfs/dbraw/zinc/43/26/42/535432642.db2.gz GPMYTAHQICEFPV-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCO[C@H](C)C1 ZINC000182001900 535444912 /nfs/dbraw/zinc/44/49/12/535444912.db2.gz IBYQGLMTYIPIPR-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCO[C@H](C)C1 ZINC000182001900 535444914 /nfs/dbraw/zinc/44/49/14/535444914.db2.gz IBYQGLMTYIPIPR-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262982902 535489302 /nfs/dbraw/zinc/48/93/02/535489302.db2.gz MVMFXRYUKNVQMH-HLTSFMKQSA-N 1 2 232.274 1.288 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000227091988 535648649 /nfs/dbraw/zinc/64/86/49/535648649.db2.gz RVOMXOGIPSPLHI-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000227091988 535648653 /nfs/dbraw/zinc/64/86/53/535648653.db2.gz RVOMXOGIPSPLHI-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765839 535836107 /nfs/dbraw/zinc/83/61/07/535836107.db2.gz QHEFPMIMSRDRJW-MRVPVSSYSA-N 1 2 227.333 1.336 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnc(N)s1 ZINC000086765839 535836109 /nfs/dbraw/zinc/83/61/09/535836109.db2.gz QHEFPMIMSRDRJW-MRVPVSSYSA-N 1 2 227.333 1.336 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCCC(=O)OC)C(=O)OC ZINC000348012716 535871661 /nfs/dbraw/zinc/87/16/61/535871661.db2.gz UNYLRUYLGSHOAS-GXSJLCMTSA-N 1 2 245.319 1.117 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000335652590 535906416 /nfs/dbraw/zinc/90/64/16/535906416.db2.gz NTJOAPJEZPUEAY-MWLCHTKSSA-N 1 2 204.273 1.797 20 0 BDADLO CCc1cc(N2CCOC[C@H]2C2CC2)nc(C)[nH+]1 ZINC000273487276 536147547 /nfs/dbraw/zinc/14/75/47/536147547.db2.gz OIJKNACVAPCSDJ-ZDUSSCGKSA-N 1 2 247.342 1.963 20 0 BDADLO C[N@H+](CCC(=O)NC1CCCC1)CC(F)F ZINC000171674773 536305431 /nfs/dbraw/zinc/30/54/31/536305431.db2.gz MBFOEBMXJSWQOG-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO C[N@@H+](CCC(=O)NC1CCCC1)CC(F)F ZINC000171674773 536305434 /nfs/dbraw/zinc/30/54/34/536305434.db2.gz MBFOEBMXJSWQOG-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C)o1 ZINC000258899101 536427620 /nfs/dbraw/zinc/42/76/20/536427620.db2.gz XQBKBOIKELJPDL-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C)o1 ZINC000258899101 536427621 /nfs/dbraw/zinc/42/76/21/536427621.db2.gz XQBKBOIKELJPDL-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351969085 536628328 /nfs/dbraw/zinc/62/83/28/536628328.db2.gz URABVVACHVYPFA-AXFHLTTASA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351969085 536628334 /nfs/dbraw/zinc/62/83/34/536628334.db2.gz URABVVACHVYPFA-AXFHLTTASA-N 1 2 241.331 1.437 20 0 BDADLO COCCC[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000350062955 536650217 /nfs/dbraw/zinc/65/02/17/536650217.db2.gz DQQZTXRTQJELHW-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccsc2Cl)C[C@H]1O ZINC000336212111 536732739 /nfs/dbraw/zinc/73/27/39/536732739.db2.gz HQNDHSZRSKEVFS-RKDXNWHRSA-N 1 2 247.747 1.593 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccsc2Cl)C[C@H]1O ZINC000336212111 536732747 /nfs/dbraw/zinc/73/27/47/536732747.db2.gz HQNDHSZRSKEVFS-RKDXNWHRSA-N 1 2 247.747 1.593 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000112989659 536755252 /nfs/dbraw/zinc/75/52/52/536755252.db2.gz MNIQOSMTDDJLQO-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000112989659 536755260 /nfs/dbraw/zinc/75/52/60/536755260.db2.gz MNIQOSMTDDJLQO-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO COCCc1nc(C[N@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000351520250 536836618 /nfs/dbraw/zinc/83/66/18/536836618.db2.gz GXYIZZTZPAQJFZ-AOOOYVTPSA-N 1 2 239.319 1.631 20 0 BDADLO COCCc1nc(C[N@@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000351520250 536836624 /nfs/dbraw/zinc/83/66/24/536836624.db2.gz GXYIZZTZPAQJFZ-AOOOYVTPSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1cc(N2CC[C@H](CO)C2)nc(CC)[nH+]1 ZINC000892638021 582935530 /nfs/dbraw/zinc/93/55/30/582935530.db2.gz UVDPFGIDQHHOLX-JTQLQIEISA-N 1 2 235.331 1.420 20 0 BDADLO CCOc1ccc(CN[C@H]2CCC[N@H+](C)C2)o1 ZINC000892665771 582945161 /nfs/dbraw/zinc/94/51/61/582945161.db2.gz UKIMSWFTVCWOTR-NSHDSACASA-N 1 2 238.331 1.862 20 0 BDADLO CCOc1ccc(CN[C@H]2CCC[N@@H+](C)C2)o1 ZINC000892665771 582945165 /nfs/dbraw/zinc/94/51/65/582945165.db2.gz UKIMSWFTVCWOTR-NSHDSACASA-N 1 2 238.331 1.862 20 0 BDADLO CO[C@H]1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC001172929249 974978406 /nfs/dbraw/zinc/97/84/06/974978406.db2.gz DUPRCJSCNTWWOL-MNOVXSKESA-N 1 2 239.319 1.767 20 0 BDADLO CO[C@H]1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC001172929249 974978409 /nfs/dbraw/zinc/97/84/09/974978409.db2.gz DUPRCJSCNTWWOL-MNOVXSKESA-N 1 2 239.319 1.767 20 0 BDADLO C[N@@H+](Cc1cnon1)C[C@@H]1CCCCO1 ZINC000851734437 582964814 /nfs/dbraw/zinc/96/48/14/582964814.db2.gz RQDQFZJMHGTIBY-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO C[N@H+](Cc1cnon1)C[C@@H]1CCCCO1 ZINC000851734437 582964818 /nfs/dbraw/zinc/96/48/18/582964818.db2.gz RQDQFZJMHGTIBY-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO C[C@@H]1CCCN1c1cc(N(C)C)[nH+]cn1 ZINC000892737851 582973380 /nfs/dbraw/zinc/97/33/80/582973380.db2.gz MJJQNEKDTJGUPB-SECBINFHSA-N 1 2 206.293 1.531 20 0 BDADLO C[C@@H]1CCCN1c1cc(N(C)C)nc[nH+]1 ZINC000892737851 582973384 /nfs/dbraw/zinc/97/33/84/582973384.db2.gz MJJQNEKDTJGUPB-SECBINFHSA-N 1 2 206.293 1.531 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245459487 566372330 /nfs/dbraw/zinc/37/23/30/566372330.db2.gz LKCIZQYLBUBCDP-IAZYJMLFSA-N 1 2 233.315 1.505 20 0 BDADLO CCOCCC(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893523135 583156793 /nfs/dbraw/zinc/15/67/93/583156793.db2.gz BRSALXZQYJRTRB-JTQLQIEISA-N 1 2 238.287 1.606 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1C ZINC000894033606 583277151 /nfs/dbraw/zinc/27/71/51/583277151.db2.gz KCMZEISPVFILRZ-BXKDBHETSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1C ZINC000894033606 583277152 /nfs/dbraw/zinc/27/71/52/583277152.db2.gz KCMZEISPVFILRZ-BXKDBHETSA-N 1 2 237.347 1.762 20 0 BDADLO CCCn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000852962620 588714669 /nfs/dbraw/zinc/71/46/69/588714669.db2.gz ICMCXTRHTQKNFN-LBPRGKRZSA-N 1 2 237.347 1.913 20 0 BDADLO CCCn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000852962620 588714670 /nfs/dbraw/zinc/71/46/70/588714670.db2.gz ICMCXTRHTQKNFN-LBPRGKRZSA-N 1 2 237.347 1.913 20 0 BDADLO Cc1nn(C[N@H+]2CCCCC[C@H]2C)c(=O)o1 ZINC000853499917 588746160 /nfs/dbraw/zinc/74/61/60/588746160.db2.gz VFJUEIULRXQPDN-SECBINFHSA-N 1 2 225.292 1.367 20 0 BDADLO Cc1nn(C[N@@H+]2CCCCC[C@H]2C)c(=O)o1 ZINC000853499917 588746161 /nfs/dbraw/zinc/74/61/61/588746161.db2.gz VFJUEIULRXQPDN-SECBINFHSA-N 1 2 225.292 1.367 20 0 BDADLO Cc1nn(C[N@@H+](CCC(C)C)C2CC2)c(=O)o1 ZINC000853490608 588745838 /nfs/dbraw/zinc/74/58/38/588745838.db2.gz XTWUPHKLEJGBRH-UHFFFAOYSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](CCC(C)C)C2CC2)c(=O)o1 ZINC000853490608 588745839 /nfs/dbraw/zinc/74/58/39/588745839.db2.gz XTWUPHKLEJGBRH-UHFFFAOYSA-N 1 2 239.319 1.613 20 0 BDADLO CCC1(C)CC[NH+](Cn2nc(C)oc2=O)CC1 ZINC000853494381 588745911 /nfs/dbraw/zinc/74/59/11/588745911.db2.gz ZPYMNIVCNKKDOQ-UHFFFAOYSA-N 1 2 239.319 1.614 20 0 BDADLO C[N@@H+](CC1=CCSC1)CN1CCSC1=O ZINC000853618885 588750567 /nfs/dbraw/zinc/75/05/67/588750567.db2.gz PKAYLRJMURTHTJ-UHFFFAOYSA-N 1 2 244.385 1.718 20 0 BDADLO C[N@H+](CC1=CCSC1)CN1CCSC1=O ZINC000853618885 588750568 /nfs/dbraw/zinc/75/05/68/588750568.db2.gz PKAYLRJMURTHTJ-UHFFFAOYSA-N 1 2 244.385 1.718 20 0 BDADLO Cc1cnc(N[C@@H]2CCn3cc[nH+]c32)nc1 ZINC000853650850 588752274 /nfs/dbraw/zinc/75/22/74/588752274.db2.gz LNBQQHOCTBZRRJ-SECBINFHSA-N 1 2 215.260 1.538 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC1CC=CC1 ZINC000853658169 588752900 /nfs/dbraw/zinc/75/29/00/588752900.db2.gz IOTFUHULXMIJTB-UHFFFAOYSA-N 1 2 212.293 1.876 20 0 BDADLO CON1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000853670933 588754264 /nfs/dbraw/zinc/75/42/64/588754264.db2.gz ANLLXYYDDJUAOW-UHFFFAOYSA-N 1 2 234.303 1.037 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000853673222 588754542 /nfs/dbraw/zinc/75/45/42/588754542.db2.gz CAMSFFZUHTWSNC-CHWFTXMASA-N 1 2 226.320 1.956 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@H](OC)C1CCC1 ZINC000853674238 588754816 /nfs/dbraw/zinc/75/48/16/588754816.db2.gz UTAWOJFODREPFJ-SCZZXKLOSA-N 1 2 230.308 1.335 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCCC1(O)CCC1 ZINC000853678442 588755116 /nfs/dbraw/zinc/75/51/16/588755116.db2.gz HZVALLDGOIFQCZ-UHFFFAOYSA-N 1 2 249.314 1.428 20 0 BDADLO CC[C@@]1(C)OC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000853726868 588759709 /nfs/dbraw/zinc/75/97/09/588759709.db2.gz ZQUQPWJTBOFAOM-GFCCVEGCSA-N 1 2 249.270 1.311 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000854066898 588772875 /nfs/dbraw/zinc/77/28/75/588772875.db2.gz JPNZQUIHMRCFCD-JQWIXIFHSA-N 1 2 248.330 1.504 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccsc1 ZINC000854367918 588785112 /nfs/dbraw/zinc/78/51/12/588785112.db2.gz IXHDADMRFJUEBD-QMMMGPOBSA-N 1 2 235.312 1.891 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC1(C)C ZINC000854456172 588787658 /nfs/dbraw/zinc/78/76/58/588787658.db2.gz MBMZCZUTJOAEDO-CKYFFXLPSA-N 1 2 247.342 1.828 20 0 BDADLO C[C@@H](NC(=O)/C=C/[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594203 588796519 /nfs/dbraw/zinc/79/65/19/588796519.db2.gz GUFUINATYRYYBT-NUNSBDKSSA-N 1 2 235.287 1.322 20 0 BDADLO C[C@@H](NC(=O)C=C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594203 588796520 /nfs/dbraw/zinc/79/65/20/588796520.db2.gz GUFUINATYRYYBT-NUNSBDKSSA-N 1 2 235.287 1.322 20 0 BDADLO C/C=C/C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345133 588794669 /nfs/dbraw/zinc/79/46/69/588794669.db2.gz MLCFZPIRXZNFMF-QRGHLMKCSA-N 1 2 235.331 1.990 20 0 BDADLO CCc1n[nH]cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595451 588796223 /nfs/dbraw/zinc/79/62/23/588796223.db2.gz ZQUUQWJCLCOMLT-SSDOTTSWSA-N 1 2 233.275 1.186 20 0 BDADLO CCC/C=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594195 588796324 /nfs/dbraw/zinc/79/63/24/588796324.db2.gz GRDNMNCRZHNLLU-SSJHQANKSA-N 1 2 207.277 1.943 20 0 BDADLO CCCC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594195 588796325 /nfs/dbraw/zinc/79/63/25/588796325.db2.gz GRDNMNCRZHNLLU-SSJHQANKSA-N 1 2 207.277 1.943 20 0 BDADLO CC(C)[C@@H]1N(C(=O)Cc2[nH]cc[nH+]2)CC12CCC2 ZINC000854594827 588796463 /nfs/dbraw/zinc/79/64/63/588796463.db2.gz BKCSSSKJLSMZHX-ZDUSSCGKSA-N 1 2 247.342 1.989 20 0 BDADLO CCOC1(C(=O)N[C@H]2CCn3cc[nH+]c32)CCC1 ZINC000854685449 588801076 /nfs/dbraw/zinc/80/10/76/588801076.db2.gz LNBCNLVLQJGUQR-JTQLQIEISA-N 1 2 249.314 1.403 20 0 BDADLO CC[C@H](C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854740981 588804913 /nfs/dbraw/zinc/80/49/13/588804913.db2.gz FMQJUAHDLWPGQU-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@H]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854751168 588805274 /nfs/dbraw/zinc/80/52/74/588805274.db2.gz ZFLQAHAOTPMOFN-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1ccnc1[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854846372 588813256 /nfs/dbraw/zinc/81/32/56/588813256.db2.gz TVKGOTHKNHYVNM-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO Cc1csc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000854817388 588812084 /nfs/dbraw/zinc/81/20/84/588812084.db2.gz YRNRCHAYOZXYDU-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000854820460 588812221 /nfs/dbraw/zinc/81/22/21/588812221.db2.gz BUVMWVXHVIMEGG-PHIMTYICSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC12CCCC2 ZINC000855012780 588820405 /nfs/dbraw/zinc/82/04/05/588820405.db2.gz WVEQUZGFXADHRQ-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO CCCCc1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000855084322 588822245 /nfs/dbraw/zinc/82/22/45/588822245.db2.gz BHWCRTSGCPCWGX-UHFFFAOYSA-N 1 2 247.302 1.657 20 0 BDADLO CC=CC=CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135536 588822413 /nfs/dbraw/zinc/82/24/13/588822413.db2.gz NUAUWGPPRHJSRA-VNKDHWASSA-N 1 2 205.261 1.500 20 0 BDADLO CC=CC=CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135536 588822414 /nfs/dbraw/zinc/82/24/14/588822414.db2.gz NUAUWGPPRHJSRA-VNKDHWASSA-N 1 2 205.261 1.500 20 0 BDADLO c1cc(N2CC[C@H]3C[C@H]32)nc(C2CC2)[nH+]1 ZINC000804687561 582525893 /nfs/dbraw/zinc/52/58/93/582525893.db2.gz BQYCWWMPZUKQSB-VHSXEESVSA-N 1 2 201.273 1.953 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@H]1C[C@@H]1C ZINC000890852792 582580954 /nfs/dbraw/zinc/58/09/54/582580954.db2.gz DTYZUYAXVLOGOX-ONGXEEELSA-N 1 2 243.310 1.915 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(C2CCC2)CC1 ZINC000855437563 588836781 /nfs/dbraw/zinc/83/67/81/588836781.db2.gz IBULZRUEUIZHQC-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO Cn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450151 582589483 /nfs/dbraw/zinc/58/94/83/582589483.db2.gz GBAVWVBSNJJHIH-OCAPTIKFSA-N 1 2 213.231 1.117 20 0 BDADLO Cn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450151 582589484 /nfs/dbraw/zinc/58/94/84/582589484.db2.gz GBAVWVBSNJJHIH-OCAPTIKFSA-N 1 2 213.231 1.117 20 0 BDADLO CCc1cc(N[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000049235897 582641132 /nfs/dbraw/zinc/64/11/32/582641132.db2.gz RVSYVCXMBGENAR-JTQLQIEISA-N 1 2 231.303 1.736 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC=C(C)CC1 ZINC000846091732 582644646 /nfs/dbraw/zinc/64/46/46/582644646.db2.gz PABLGVICTRUFOJ-SNVBAGLBSA-N 1 2 212.293 1.143 20 0 BDADLO Cc1cc(Br)cc(N(C)CCO)[nH+]1 ZINC000891399117 582677676 /nfs/dbraw/zinc/67/76/76/582677676.db2.gz IOWVDKDKJGYLHY-UHFFFAOYSA-N 1 2 245.120 1.581 20 0 BDADLO Cc1cc(NCCCO)nc(C2CCC2)[nH+]1 ZINC000891408889 582679531 /nfs/dbraw/zinc/67/95/31/582679531.db2.gz COOHLULNQNBFJI-UHFFFAOYSA-N 1 2 221.304 1.847 20 0 BDADLO CCCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000891424453 582682063 /nfs/dbraw/zinc/68/20/63/582682063.db2.gz ZHRFHGQHEMGYDM-UHFFFAOYSA-N 1 2 210.281 1.019 20 0 BDADLO CC(=O)c1c(F)cncc1NCCn1cc[nH+]c1 ZINC000891516496 582694710 /nfs/dbraw/zinc/69/47/10/582694710.db2.gz NNFSFKSDOBJADO-UHFFFAOYSA-N 1 2 248.261 1.732 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)CCO1 ZINC000891543214 582696147 /nfs/dbraw/zinc/69/61/47/582696147.db2.gz RBFUCJUZZYHRJM-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)CCO1 ZINC000891543214 582696149 /nfs/dbraw/zinc/69/61/49/582696149.db2.gz RBFUCJUZZYHRJM-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cccc2c1OCC2 ZINC000891612075 582702149 /nfs/dbraw/zinc/70/21/49/582702149.db2.gz KINNMKYRUZWWKC-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cccc2c1OCC2 ZINC000891612075 582702152 /nfs/dbraw/zinc/70/21/52/582702152.db2.gz KINNMKYRUZWWKC-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CC[C@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000891684056 582709848 /nfs/dbraw/zinc/70/98/48/582709848.db2.gz FFWWYJUDSJHIJE-JTQLQIEISA-N 1 2 232.287 1.345 20 0 BDADLO CC1(C)COCCN1Cc1[nH+]ccn1C1CC1 ZINC000891781954 582720041 /nfs/dbraw/zinc/72/00/41/582720041.db2.gz NNQBZCNJWZPTEK-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO O=c1cc(NCCCNc2cccc[nH+]2)nc[nH]1 ZINC000891870779 582732922 /nfs/dbraw/zinc/73/29/22/582732922.db2.gz QPJXOGCOKVARSX-UHFFFAOYSA-N 1 2 245.286 1.491 20 0 BDADLO CCc1cc(NCc2nnc(C)o2)nc(CC)[nH+]1 ZINC000891888846 582735232 /nfs/dbraw/zinc/73/52/32/582735232.db2.gz IVMLLWGUAWLDHN-UHFFFAOYSA-N 1 2 247.302 1.905 20 0 BDADLO CCc1cc(NCCn2cccn2)nc(CC)[nH+]1 ZINC000891952717 582744875 /nfs/dbraw/zinc/74/48/75/582744875.db2.gz QEHMJPICMAQBAQ-UHFFFAOYSA-N 1 2 245.330 1.910 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CCCCNC2=O)[nH+]1 ZINC000891960671 582748253 /nfs/dbraw/zinc/74/82/53/582748253.db2.gz PFVKJJYMZCXLKJ-MWLCHTKSSA-N 1 2 249.314 1.216 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cnnc3C2)cnc1F ZINC000891977320 582751212 /nfs/dbraw/zinc/75/12/12/582751212.db2.gz VCROPDGSENNOHI-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cnnc3C2)cnc1F ZINC000891977320 582751215 /nfs/dbraw/zinc/75/12/15/582751215.db2.gz VCROPDGSENNOHI-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO COC[C@H](C)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892025731 582765107 /nfs/dbraw/zinc/76/51/07/582765107.db2.gz VKYKKUVHEPWJNF-NXEZZACHSA-N 1 2 224.304 1.829 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnn(C)c2C2CC2)[C@H]1C ZINC000892049925 582774452 /nfs/dbraw/zinc/77/44/52/582774452.db2.gz ULFQZZIQMWKRHZ-QWRGUYRKSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnn(C)c2C2CC2)[C@H]1C ZINC000892049925 582774455 /nfs/dbraw/zinc/77/44/55/582774455.db2.gz ULFQZZIQMWKRHZ-QWRGUYRKSA-N 1 2 249.358 1.907 20 0 BDADLO Cn1nc2c(c1C[N@H+](C)Cc1cn[nH]c1)CCC2 ZINC000892049828 582774895 /nfs/dbraw/zinc/77/48/95/582774895.db2.gz MOYSWUBZCMANKB-UHFFFAOYSA-N 1 2 245.330 1.264 20 0 BDADLO Cn1nc2c(c1C[N@@H+](C)Cc1cn[nH]c1)CCC2 ZINC000892049828 582774896 /nfs/dbraw/zinc/77/48/96/582774896.db2.gz MOYSWUBZCMANKB-UHFFFAOYSA-N 1 2 245.330 1.264 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000855857722 588851059 /nfs/dbraw/zinc/85/10/59/588851059.db2.gz PRAXHBZAZMFHQZ-VIFPVBQESA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cncs1 ZINC000889511327 582797452 /nfs/dbraw/zinc/79/74/52/582797452.db2.gz UHTYQURMWACTFE-MRVPVSSYSA-N 1 2 236.300 1.217 20 0 BDADLO OC1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000892288813 582828797 /nfs/dbraw/zinc/82/87/97/582828797.db2.gz VUJJLGZTQDNMEY-UHFFFAOYSA-N 1 2 231.299 1.412 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892502610 582899634 /nfs/dbraw/zinc/89/96/34/582899634.db2.gz ULZDARPEYTXHCO-ZJUUUORDSA-N 1 2 238.335 1.362 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892502610 582899637 /nfs/dbraw/zinc/89/96/37/582899637.db2.gz ULZDARPEYTXHCO-ZJUUUORDSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@H](O)c1cccc(NCC2(C)COC2)[nH+]1 ZINC000892505871 582900765 /nfs/dbraw/zinc/90/07/65/582900765.db2.gz MXNLSRMGPRVUNZ-VIFPVBQESA-N 1 2 222.288 1.583 20 0 BDADLO CCc1cc(NCC[C@H](C)O)nc(CC)[nH+]1 ZINC000892540977 582909126 /nfs/dbraw/zinc/90/91/26/582909126.db2.gz VFUGEARTZMTXHV-VIFPVBQESA-N 1 2 223.320 1.784 20 0 BDADLO CNc1cc(NCc2ccn(C(C)C)n2)nc[nH+]1 ZINC000892619377 582931713 /nfs/dbraw/zinc/93/17/13/582931713.db2.gz YQNWBLOHWZPIRI-UHFFFAOYSA-N 1 2 246.318 1.908 20 0 BDADLO CNc1cc(NCc2ccn(C(C)C)n2)[nH+]cn1 ZINC000892619377 582931715 /nfs/dbraw/zinc/93/17/15/582931715.db2.gz YQNWBLOHWZPIRI-UHFFFAOYSA-N 1 2 246.318 1.908 20 0 BDADLO CCc1cc(N(CC)CCCO)nc(CC)[nH+]1 ZINC000892733175 582972063 /nfs/dbraw/zinc/97/20/63/582972063.db2.gz PDSVWPQLPAGTJK-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO C[C@@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000892737527 582973102 /nfs/dbraw/zinc/97/31/02/582973102.db2.gz DTLXYWFEYASROA-SECBINFHSA-N 1 2 202.261 1.718 20 0 BDADLO C[C@@H](NC(=O)[C@H](O)C(C)(C)C)c1[nH+]ccn1C ZINC000856279049 588866827 /nfs/dbraw/zinc/86/68/27/588866827.db2.gz AVVUFPXPYPVEGX-BDAKNGLRSA-N 1 2 239.319 1.004 20 0 BDADLO COC/C(C)=C/C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279865 588867029 /nfs/dbraw/zinc/86/70/29/588867029.db2.gz KZNXIHUWAJMJLS-PCYYEKQGSA-N 1 2 237.303 1.190 20 0 BDADLO O=C(NOCC1CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000856351746 588870147 /nfs/dbraw/zinc/87/01/47/588870147.db2.gz MLYNMTYDSXVUTN-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO CN(CC1CCOCC1)c1nccn2c[nH+]cc12 ZINC000893070200 583041092 /nfs/dbraw/zinc/04/10/92/583041092.db2.gz XQNSHONXUFOBJA-UHFFFAOYSA-N 1 2 246.314 1.592 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@H](O)C2)nc(C2CCC2)[nH+]1 ZINC000893078727 583042639 /nfs/dbraw/zinc/04/26/39/583042639.db2.gz GBSBMTCSMWLWPB-BXKDBHETSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2C[C@H](O)[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000893078729 583042714 /nfs/dbraw/zinc/04/27/14/583042714.db2.gz GBSBMTCSMWLWPB-CABZTGNLSA-N 1 2 247.342 1.870 20 0 BDADLO OCC1CN(c2ccc(-c3ccncc3)c[nH+]2)C1 ZINC000893140855 583056369 /nfs/dbraw/zinc/05/63/69/583056369.db2.gz FTLIVKFAKLSZDS-UHFFFAOYSA-N 1 2 241.294 1.572 20 0 BDADLO C[C@H](O)c1cccc(NCC[C@@H]2CCOC2)[nH+]1 ZINC000893144637 583056834 /nfs/dbraw/zinc/05/68/34/583056834.db2.gz RYTAGDYQDJIJRJ-WDEREUQCSA-N 1 2 236.315 1.973 20 0 BDADLO Cn1cnn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1=S ZINC000853581815 583058901 /nfs/dbraw/zinc/05/89/01/583058901.db2.gz ZLWQRMKLRIYIJJ-IUCAKERBSA-N 1 2 224.333 1.250 20 0 BDADLO Cn1cnn(C[N@H+]2CC[C@H]3C[C@H]3C2)c1=S ZINC000853581815 583058903 /nfs/dbraw/zinc/05/89/03/583058903.db2.gz ZLWQRMKLRIYIJJ-IUCAKERBSA-N 1 2 224.333 1.250 20 0 BDADLO C[C@H](O)c1cccc(NCCc2ccn(C)n2)[nH+]1 ZINC000893179578 583064946 /nfs/dbraw/zinc/06/49/46/583064946.db2.gz WAQVZRLUBISZEE-JTQLQIEISA-N 1 2 246.314 1.523 20 0 BDADLO CNc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]cn1 ZINC000893194262 583069051 /nfs/dbraw/zinc/06/90/51/583069051.db2.gz FEZJSYPYRNYPRO-MNOVXSKESA-N 1 2 248.330 1.888 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)ccn1 ZINC000856739063 588875673 /nfs/dbraw/zinc/87/56/73/588875673.db2.gz NHDHPHPWBAGNOV-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)ccn1 ZINC000856739063 588875674 /nfs/dbraw/zinc/87/56/74/588875674.db2.gz NHDHPHPWBAGNOV-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893231531 583074588 /nfs/dbraw/zinc/07/45/88/583074588.db2.gz VJQFFJTXQVZVTI-MJKAUQOVSA-N 1 2 236.315 1.874 20 0 BDADLO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)C(=O)OC(C)(C)C ZINC000893233511 583075436 /nfs/dbraw/zinc/07/54/36/583075436.db2.gz SSEFIXZGAUURJI-GMTAPVOTSA-N 1 2 243.347 1.610 20 0 BDADLO CNc1cc(NC[C@@H]2CCC=CO2)[nH+]cn1 ZINC000893368043 583127529 /nfs/dbraw/zinc/12/75/29/583127529.db2.gz PAAQTLNDDMDWQQ-VIFPVBQESA-N 1 2 220.276 1.623 20 0 BDADLO CC1(C)CN(c2nccn3c[nH+]cc23)CC[C@H]1O ZINC000893380727 583132847 /nfs/dbraw/zinc/13/28/47/583132847.db2.gz WNCXJQQQOVNTFN-LLVKDONJSA-N 1 2 246.314 1.327 20 0 BDADLO CN(C)c1cc(NC[C@H]2CC[C@@H](O)C2)[nH+]cn1 ZINC000893435261 583142785 /nfs/dbraw/zinc/14/27/85/583142785.db2.gz QFVYMHUURRQLQI-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000893435261 583142787 /nfs/dbraw/zinc/14/27/87/583142787.db2.gz QFVYMHUURRQLQI-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO Cn1cc(C[N@H+](C)[C@H]2CCOC2)c(Cl)n1 ZINC000857017358 588882043 /nfs/dbraw/zinc/88/20/43/588882043.db2.gz KCTVCNQXVPUCDD-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO Cn1cc(C[N@@H+](C)[C@H]2CCOC2)c(Cl)n1 ZINC000857017358 588882044 /nfs/dbraw/zinc/88/20/44/588882044.db2.gz KCTVCNQXVPUCDD-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cn(C)nc1Cl ZINC000857022710 588882894 /nfs/dbraw/zinc/88/28/94/588882894.db2.gz RWIPXGVCNMGNBF-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cn(C)nc1Cl ZINC000857022710 588882895 /nfs/dbraw/zinc/88/28/95/588882895.db2.gz RWIPXGVCNMGNBF-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H](O)C[N@H+](Cc1cn(C)nc1Cl)C1CC1 ZINC000857048779 588884197 /nfs/dbraw/zinc/88/41/97/588884197.db2.gz AXUQDRGYBNTRME-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1cn(C)nc1Cl)C1CC1 ZINC000857048779 588884199 /nfs/dbraw/zinc/88/41/99/588884199.db2.gz AXUQDRGYBNTRME-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H]1CSC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893825453 583229729 /nfs/dbraw/zinc/22/97/29/583229729.db2.gz FFCXLHRHTCLELG-BDAKNGLRSA-N 1 2 238.360 1.706 20 0 BDADLO C[C@@H]1CSC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893825453 583229732 /nfs/dbraw/zinc/22/97/32/583229732.db2.gz FFCXLHRHTCLELG-BDAKNGLRSA-N 1 2 238.360 1.706 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000893910129 583246344 /nfs/dbraw/zinc/24/63/44/583246344.db2.gz WXXRAUWCFMQZDE-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO Cc1ccnc(N)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000893910129 583246346 /nfs/dbraw/zinc/24/63/46/583246346.db2.gz WXXRAUWCFMQZDE-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO CC(C)c1c[nH]c(CN2CCOC[C@@H]2C)[nH+]1 ZINC000893961966 583256178 /nfs/dbraw/zinc/25/61/78/583256178.db2.gz HSLSILCIPJXXSU-JTQLQIEISA-N 1 2 223.320 1.754 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOCC2(C)C)c1C ZINC000893970035 583263469 /nfs/dbraw/zinc/26/34/69/583263469.db2.gz XRAYKNJCWOFRNT-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOCC2(C)C)c1C ZINC000893970035 583263471 /nfs/dbraw/zinc/26/34/71/583263471.db2.gz XRAYKNJCWOFRNT-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(SC)o1 ZINC000893966698 583263589 /nfs/dbraw/zinc/26/35/89/583263589.db2.gz SQQSCWQENSORKW-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(SC)o1 ZINC000893966698 583263590 /nfs/dbraw/zinc/26/35/90/583263590.db2.gz SQQSCWQENSORKW-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO CCc1cc(NC2(CCO)CC2)nc(CC)[nH+]1 ZINC000893971242 583264054 /nfs/dbraw/zinc/26/40/54/583264054.db2.gz SIOHRQJHRDMVLT-UHFFFAOYSA-N 1 2 235.331 1.928 20 0 BDADLO Cc1[nH]nc(C[NH+]2CCC([C@H](C)O)CC2)c1C ZINC000893995036 583267653 /nfs/dbraw/zinc/26/76/53/583267653.db2.gz QVLXVCFTNSBVPL-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000894001760 583272518 /nfs/dbraw/zinc/27/25/18/583272518.db2.gz JUZKGJOMQCVBGW-SNVBAGLBSA-N 1 2 223.320 1.754 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000894001760 583272519 /nfs/dbraw/zinc/27/25/19/583272519.db2.gz JUZKGJOMQCVBGW-SNVBAGLBSA-N 1 2 223.320 1.754 20 0 BDADLO Cc1nsc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000894015323 583275731 /nfs/dbraw/zinc/27/57/31/583275731.db2.gz HRFPFUQEDBVISH-SSDOTTSWSA-N 1 2 221.289 1.600 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H](C)CCO)C(=O)OCC ZINC000894029533 583282051 /nfs/dbraw/zinc/28/20/51/583282051.db2.gz ZFYZBPUEQKPJKA-LJRGRFNSSA-N 1 2 229.320 1.245 20 0 BDADLO CCc1cc(N2CC(C)(CO)C2)nc(CC)[nH+]1 ZINC000894076464 583297115 /nfs/dbraw/zinc/29/71/15/583297115.db2.gz AJRFYQNLGFHBDH-UHFFFAOYSA-N 1 2 235.331 1.420 20 0 BDADLO COc1ccc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000894091837 583299560 /nfs/dbraw/zinc/29/95/60/583299560.db2.gz UKVPXPHTTLIKIG-UHFFFAOYSA-N 1 2 221.260 1.643 20 0 BDADLO C[C@H](O)c1cccc(NCCC2(CO)CC2)[nH+]1 ZINC000894094569 583299728 /nfs/dbraw/zinc/29/97/28/583299728.db2.gz AWJDAQDEUXRABE-JTQLQIEISA-N 1 2 236.315 1.709 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000245610200 583302747 /nfs/dbraw/zinc/30/27/47/583302747.db2.gz AVBIQGQHTAGTJX-MNOVXSKESA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000245610200 583302749 /nfs/dbraw/zinc/30/27/49/583302749.db2.gz AVBIQGQHTAGTJX-MNOVXSKESA-N 1 2 237.347 1.592 20 0 BDADLO CCc1ncc(CNc2cc(N(C)C)nc[nH+]2)o1 ZINC000894099073 583303178 /nfs/dbraw/zinc/30/31/78/583303178.db2.gz GCJZYJVGOTURPS-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO CCc1ncc(CNc2cc(N(C)C)[nH+]cn2)o1 ZINC000894099073 583303181 /nfs/dbraw/zinc/30/31/81/583303181.db2.gz GCJZYJVGOTURPS-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO CCc1cc(NC[C@H]2CNC(=O)C2)nc(CC)[nH+]1 ZINC000894185044 583332645 /nfs/dbraw/zinc/33/26/45/583332645.db2.gz JIPUTJLFHCYMLA-VIFPVBQESA-N 1 2 248.330 1.149 20 0 BDADLO COCC[C@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000894185267 583333032 /nfs/dbraw/zinc/33/30/32/583333032.db2.gz LEHLRWGZFFJLFG-JTQLQIEISA-N 1 2 238.335 1.627 20 0 BDADLO COCC[C@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000894185267 583333033 /nfs/dbraw/zinc/33/30/33/583333033.db2.gz LEHLRWGZFFJLFG-JTQLQIEISA-N 1 2 238.335 1.627 20 0 BDADLO COC(=O)[C@H]1[C@@H](CNc2cccc[nH+]2)C1(F)F ZINC000894196729 583335678 /nfs/dbraw/zinc/33/56/78/583335678.db2.gz ABBLEQNRHABSBC-VXNVDRBHSA-N 1 2 242.225 1.548 20 0 BDADLO Cc1ccnc(N)c1C[NH2+]Cc1nccs1 ZINC000894200765 583337429 /nfs/dbraw/zinc/33/74/29/583337429.db2.gz WBRUGRUNYYALFC-UHFFFAOYSA-N 1 2 234.328 1.719 20 0 BDADLO O=S1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878092936 583361119 /nfs/dbraw/zinc/36/11/19/583361119.db2.gz CCHGDQLWAFGEDM-LLVKDONJSA-N 1 2 243.372 1.152 20 0 BDADLO O=C1C[N@H+](Cc2ccc(F)cc2)CCCN1 ZINC000726790682 583374411 /nfs/dbraw/zinc/37/44/11/583374411.db2.gz ZWCKDEDLMFCVEJ-UHFFFAOYSA-N 1 2 222.263 1.148 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(F)cc2)CCCN1 ZINC000726790682 583374412 /nfs/dbraw/zinc/37/44/12/583374412.db2.gz ZWCKDEDLMFCVEJ-UHFFFAOYSA-N 1 2 222.263 1.148 20 0 BDADLO O=C1C[N@H+](Cc2cccc(F)c2)CCCN1 ZINC000726792059 583374980 /nfs/dbraw/zinc/37/49/80/583374980.db2.gz VKCJWWLORYROJW-UHFFFAOYSA-N 1 2 222.263 1.148 20 0 BDADLO O=C1C[N@@H+](Cc2cccc(F)c2)CCCN1 ZINC000726792059 583374982 /nfs/dbraw/zinc/37/49/82/583374982.db2.gz VKCJWWLORYROJW-UHFFFAOYSA-N 1 2 222.263 1.148 20 0 BDADLO O=C1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCCN1 ZINC000726846053 583378274 /nfs/dbraw/zinc/37/82/74/583378274.db2.gz VKTUEUUDALYIBW-ZETCQYMHSA-N 1 2 237.130 1.002 20 0 BDADLO O=C1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCCN1 ZINC000726846053 583378277 /nfs/dbraw/zinc/37/82/77/583378277.db2.gz VKTUEUUDALYIBW-ZETCQYMHSA-N 1 2 237.130 1.002 20 0 BDADLO C[N@H+](CCCO)Cc1nccn1C1CC1 ZINC000894253894 583394057 /nfs/dbraw/zinc/39/40/57/583394057.db2.gz AWERUBBXWVEVJE-UHFFFAOYSA-N 1 2 209.293 1.032 20 0 BDADLO C[N@@H+](CCCO)Cc1nccn1C1CC1 ZINC000894253894 583394060 /nfs/dbraw/zinc/39/40/60/583394060.db2.gz AWERUBBXWVEVJE-UHFFFAOYSA-N 1 2 209.293 1.032 20 0 BDADLO O=C1CCN1C[N@@H+]1CCc2sccc2C1 ZINC000857229382 588896847 /nfs/dbraw/zinc/89/68/47/588896847.db2.gz RMMBMJLWONUNLB-UHFFFAOYSA-N 1 2 222.313 1.296 20 0 BDADLO O=C1CCN1C[N@H+]1CCc2sccc2C1 ZINC000857229382 588896848 /nfs/dbraw/zinc/89/68/48/588896848.db2.gz RMMBMJLWONUNLB-UHFFFAOYSA-N 1 2 222.313 1.296 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000894340348 583428435 /nfs/dbraw/zinc/42/84/35/583428435.db2.gz NNHVBERCMIIPNJ-STQMWFEESA-N 1 2 229.283 1.158 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1CN1CCC1=O ZINC000857234696 588899180 /nfs/dbraw/zinc/89/91/80/588899180.db2.gz MAWVPVWIPYMNPB-JTQLQIEISA-N 1 2 216.284 1.753 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1CN1CCC1=O ZINC000857234696 588899182 /nfs/dbraw/zinc/89/91/82/588899182.db2.gz MAWVPVWIPYMNPB-JTQLQIEISA-N 1 2 216.284 1.753 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1C ZINC000894421665 583455494 /nfs/dbraw/zinc/45/54/94/583455494.db2.gz FMZWUHVCQWIFIB-RYUDHWBXSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1C ZINC000894421665 583455495 /nfs/dbraw/zinc/45/54/95/583455495.db2.gz FMZWUHVCQWIFIB-RYUDHWBXSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1C ZINC000894453962 583461796 /nfs/dbraw/zinc/46/17/96/583461796.db2.gz JXWJEQGWZNJGAO-LBPRGKRZSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1C ZINC000894453962 583461799 /nfs/dbraw/zinc/46/17/99/583461799.db2.gz JXWJEQGWZNJGAO-LBPRGKRZSA-N 1 2 237.347 1.762 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](CO)C2CCC2)[nH+]1 ZINC000894484689 583470498 /nfs/dbraw/zinc/47/04/98/583470498.db2.gz AOGNRRYFSOQQLI-CABZTGNLSA-N 1 2 236.315 1.708 20 0 BDADLO CCO[C@H]1C[C@H](Nc2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000894525424 583477812 /nfs/dbraw/zinc/47/78/12/583477812.db2.gz BZMFQEUTVBLJBY-KYZUINATSA-N 1 2 249.318 1.311 20 0 BDADLO CCO[C@H]1C[C@H](Nc2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000894525424 583477814 /nfs/dbraw/zinc/47/78/14/583477814.db2.gz BZMFQEUTVBLJBY-KYZUINATSA-N 1 2 249.318 1.311 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000894533494 583478739 /nfs/dbraw/zinc/47/87/39/583478739.db2.gz NKMNWNYPUUANOB-MWLCHTKSSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000894533494 583478742 /nfs/dbraw/zinc/47/87/42/583478742.db2.gz NKMNWNYPUUANOB-MWLCHTKSSA-N 1 2 240.303 1.219 20 0 BDADLO CN(CC1=CCCOC1)c1nccn2c[nH+]cc12 ZINC000894551348 583482999 /nfs/dbraw/zinc/48/29/99/583482999.db2.gz RHGBWLIXUCYVJP-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CN(Cc1cn(C2CCC2)nn1)Cc1[nH]cc[nH+]1 ZINC000894587151 583490532 /nfs/dbraw/zinc/49/05/32/583490532.db2.gz RZJFXEXXMMREDG-UHFFFAOYSA-N 1 2 246.318 1.358 20 0 BDADLO C[C@@H](O)c1cccc(N2CCC3(COC3)C2)[nH+]1 ZINC000894609697 583492044 /nfs/dbraw/zinc/49/20/44/583492044.db2.gz GVMSFYIJXIRCEY-SNVBAGLBSA-N 1 2 234.299 1.362 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@H]1COC ZINC000894613128 583494724 /nfs/dbraw/zinc/49/47/24/583494724.db2.gz UEBNYRKNLRTZCH-QMMMGPOBSA-N 1 2 243.738 1.846 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@H]1COC ZINC000894613128 583494726 /nfs/dbraw/zinc/49/47/26/583494726.db2.gz UEBNYRKNLRTZCH-QMMMGPOBSA-N 1 2 243.738 1.846 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@]1(C)CO ZINC000894623790 583496029 /nfs/dbraw/zinc/49/60/29/583496029.db2.gz RAPMKPRESQSPFK-MFKMUULPSA-N 1 2 246.314 1.184 20 0 BDADLO CCn1nccc1CNc1cc(NC)[nH+]cn1 ZINC000894658059 583499400 /nfs/dbraw/zinc/49/94/00/583499400.db2.gz ZYIUDMBLKFGVEQ-UHFFFAOYSA-N 1 2 232.291 1.347 20 0 BDADLO CCn1nccc1CNc1cc(NC)nc[nH+]1 ZINC000894658059 583499401 /nfs/dbraw/zinc/49/94/01/583499401.db2.gz ZYIUDMBLKFGVEQ-UHFFFAOYSA-N 1 2 232.291 1.347 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@H](F)C2)c(C)n1 ZINC000894670704 583503077 /nfs/dbraw/zinc/50/30/77/583503077.db2.gz KWUMURRKFWFEEH-NSHDSACASA-N 1 2 211.284 1.755 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@H](F)C2)c(C)n1 ZINC000894670704 583503080 /nfs/dbraw/zinc/50/30/80/583503080.db2.gz KWUMURRKFWFEEH-NSHDSACASA-N 1 2 211.284 1.755 20 0 BDADLO c1cc2c(c(C[N@H+](C3CC3)C3COC3)c1)OCC2 ZINC000894659544 583503873 /nfs/dbraw/zinc/50/38/73/583503873.db2.gz VBWRJZQWRRMOKE-UHFFFAOYSA-N 1 2 245.322 1.985 20 0 BDADLO c1cc2c(c(C[N@@H+](C3CC3)C3COC3)c1)OCC2 ZINC000894659544 583503875 /nfs/dbraw/zinc/50/38/75/583503875.db2.gz VBWRJZQWRRMOKE-UHFFFAOYSA-N 1 2 245.322 1.985 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000894686460 583507252 /nfs/dbraw/zinc/50/72/52/583507252.db2.gz OAQVZMPYBOIMTJ-LLVKDONJSA-N 1 2 213.252 1.494 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000894686460 583507254 /nfs/dbraw/zinc/50/72/54/583507254.db2.gz OAQVZMPYBOIMTJ-LLVKDONJSA-N 1 2 213.252 1.494 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc(NC)[nH+]cn1 ZINC000894735437 583514020 /nfs/dbraw/zinc/51/40/20/583514020.db2.gz JKACMVJBHBFMJM-KCJUWKMLSA-N 1 2 222.292 1.498 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000894735437 583514021 /nfs/dbraw/zinc/51/40/21/583514021.db2.gz JKACMVJBHBFMJM-KCJUWKMLSA-N 1 2 222.292 1.498 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1ocnc1C ZINC000894817825 583523969 /nfs/dbraw/zinc/52/39/69/583523969.db2.gz MAEZGBUGHNZUBF-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1ocnc1C ZINC000894817825 583523970 /nfs/dbraw/zinc/52/39/70/583523970.db2.gz MAEZGBUGHNZUBF-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COC1C[NH+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000894818421 583524941 /nfs/dbraw/zinc/52/49/41/583524941.db2.gz DLOBMFCJRYKSLG-UHFFFAOYSA-N 1 2 237.347 1.911 20 0 BDADLO COC1C[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000894818407 583525142 /nfs/dbraw/zinc/52/51/42/583525142.db2.gz DBYUSRISVODTEI-UHFFFAOYSA-N 1 2 221.304 1.128 20 0 BDADLO COc1ccc(C[NH+]2CC(OC)C2)c(C)c1 ZINC000894819264 583525147 /nfs/dbraw/zinc/52/51/47/583525147.db2.gz KHLGOLZXXZVCKR-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000894830259 583527753 /nfs/dbraw/zinc/52/77/53/583527753.db2.gz HZXZKBMKGGPREH-UHFFFAOYSA-N 1 2 233.311 1.578 20 0 BDADLO CCc1[nH]nc(Cl)c1C[NH+]1CC(C)(CO)C1 ZINC000894841815 583530976 /nfs/dbraw/zinc/53/09/76/583530976.db2.gz YCUNTHAKTNLPEN-UHFFFAOYSA-N 1 2 243.738 1.440 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](CO)CC2)c1C ZINC000894866486 583537784 /nfs/dbraw/zinc/53/77/84/583537784.db2.gz SCJLXNWLBKXCIV-GFCCVEGCSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](CO)CC2)c1C ZINC000894866486 583537786 /nfs/dbraw/zinc/53/77/86/583537786.db2.gz SCJLXNWLBKXCIV-GFCCVEGCSA-N 1 2 237.347 1.621 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1F ZINC000894888777 583547646 /nfs/dbraw/zinc/54/76/46/583547646.db2.gz UVKNHULOGPJACE-SNVBAGLBSA-N 1 2 243.253 1.702 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1F ZINC000894888777 583547648 /nfs/dbraw/zinc/54/76/48/583547648.db2.gz UVKNHULOGPJACE-SNVBAGLBSA-N 1 2 243.253 1.702 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC(C(F)(F)F)C1 ZINC000894890864 583547791 /nfs/dbraw/zinc/54/77/91/583547791.db2.gz OZMHOPNDYXWBTF-UHFFFAOYSA-N 1 2 245.248 1.966 20 0 BDADLO CCc1nc(N2Cc3c[nH]nc3[C@@H](C)C2)cc[nH+]1 ZINC000894895814 583550359 /nfs/dbraw/zinc/55/03/59/583550359.db2.gz VBLTYNVUJQFVGY-VIFPVBQESA-N 1 2 243.314 1.886 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000894913408 583554726 /nfs/dbraw/zinc/55/47/26/583554726.db2.gz NHXVHYQYIOTUPK-ZMLRMANQSA-N 1 2 248.330 1.408 20 0 BDADLO Cc1coc(C[NH+]2CC(O)(C(C)C)C2)c1 ZINC000894968988 583560803 /nfs/dbraw/zinc/56/08/03/583560803.db2.gz BXOHBGPWLGOQQZ-UHFFFAOYSA-N 1 2 209.289 1.791 20 0 BDADLO CC(C)c1c[nH]c(CN2CC(OC(F)F)C2)[nH+]1 ZINC000894978424 583563221 /nfs/dbraw/zinc/56/32/21/583563221.db2.gz GKXKAUKNVYXWMD-UHFFFAOYSA-N 1 2 245.273 1.957 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1cc(N(C)C)nc[nH+]1 ZINC000895045261 583571816 /nfs/dbraw/zinc/57/18/16/583571816.db2.gz VUHYPKSGWCNJBH-NXEZZACHSA-N 1 2 238.335 1.504 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1cc(N(C)C)[nH+]cn1 ZINC000895045261 583571818 /nfs/dbraw/zinc/57/18/18/583571818.db2.gz VUHYPKSGWCNJBH-NXEZZACHSA-N 1 2 238.335 1.504 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1cc(N(C)C)nc[nH+]1 ZINC000895045264 583572001 /nfs/dbraw/zinc/57/20/01/583572001.db2.gz VUHYPKSGWCNJBH-VHSXEESVSA-N 1 2 238.335 1.504 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1cc(N(C)C)[nH+]cn1 ZINC000895045264 583572003 /nfs/dbraw/zinc/57/20/03/583572003.db2.gz VUHYPKSGWCNJBH-VHSXEESVSA-N 1 2 238.335 1.504 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2[nH]nc(C)c2C)C1 ZINC000895056849 583575356 /nfs/dbraw/zinc/57/53/56/583575356.db2.gz DFMWZIBMFAHDHW-UHFFFAOYSA-N 1 2 237.303 1.021 20 0 BDADLO COCC[N@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000749166379 583582458 /nfs/dbraw/zinc/58/24/58/583582458.db2.gz UJYBRCHFOHWILC-UHFFFAOYSA-N 1 2 228.336 1.169 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000749166379 583582461 /nfs/dbraw/zinc/58/24/61/583582461.db2.gz UJYBRCHFOHWILC-UHFFFAOYSA-N 1 2 228.336 1.169 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccsc1 ZINC000895113234 583591049 /nfs/dbraw/zinc/59/10/49/583591049.db2.gz HQUDAGPCCQDTGS-LPEHRKFASA-N 1 2 238.356 1.845 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccsc1 ZINC000895113234 583591051 /nfs/dbraw/zinc/59/10/51/583591051.db2.gz HQUDAGPCCQDTGS-LPEHRKFASA-N 1 2 238.356 1.845 20 0 BDADLO CSC1(C[NH2+][C@H](C)c2n[nH]c(=O)n2C)CC1 ZINC000895176710 583616067 /nfs/dbraw/zinc/61/60/67/583616067.db2.gz TYQMMDSLRZBAQN-SSDOTTSWSA-N 1 2 242.348 1.067 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)[C@H](C)CCO)c1Cl ZINC000895184140 583618430 /nfs/dbraw/zinc/61/84/30/583618430.db2.gz AHUSGRHKAMZUIH-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)[C@H](C)CCO)c1Cl ZINC000895184140 583618429 /nfs/dbraw/zinc/61/84/29/583618429.db2.gz AHUSGRHKAMZUIH-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1ccccc1C[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC000895185370 583619094 /nfs/dbraw/zinc/61/90/94/583619094.db2.gz ZUHODGLMCODHDR-SNVBAGLBSA-N 1 2 246.314 1.680 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2C[C@@H](CO)C2)c1C ZINC000882677643 583629618 /nfs/dbraw/zinc/62/96/18/583629618.db2.gz ABACQSBLEPSVMW-AOOOYVTPSA-N 1 2 207.277 1.276 20 0 BDADLO COCC[N@H+](CCF)Cc1[nH]nc(C)c1C ZINC000895251620 583633269 /nfs/dbraw/zinc/63/32/69/583633269.db2.gz ULNMSAWBSFVETB-UHFFFAOYSA-N 1 2 229.299 1.444 20 0 BDADLO COCC[N@@H+](CCF)Cc1[nH]nc(C)c1C ZINC000895251620 583633270 /nfs/dbraw/zinc/63/32/70/583633270.db2.gz ULNMSAWBSFVETB-UHFFFAOYSA-N 1 2 229.299 1.444 20 0 BDADLO CNc1cc(CNc2nnc(C)c(C)n2)cc[nH+]1 ZINC000895255605 583633933 /nfs/dbraw/zinc/63/39/33/583633933.db2.gz HVHQOZKYRKOMOL-UHFFFAOYSA-N 1 2 244.302 1.537 20 0 BDADLO Clc1ccc(NCCCn2cc[nH+]c2)nn1 ZINC000020368563 583651621 /nfs/dbraw/zinc/65/16/21/583651621.db2.gz RVSLFMWJEZTRNH-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000895352002 583656908 /nfs/dbraw/zinc/65/69/08/583656908.db2.gz MDIZCPKOUROUPR-GXFFZTMASA-N 1 2 231.299 1.621 20 0 BDADLO CCn1cc(C[N@H+](CCF)CCOC)c(C)n1 ZINC000895356587 583658923 /nfs/dbraw/zinc/65/89/23/583658923.db2.gz ZASSHYJSEDWTJI-UHFFFAOYSA-N 1 2 243.326 1.629 20 0 BDADLO CCn1cc(C[N@@H+](CCF)CCOC)c(C)n1 ZINC000895356587 583658924 /nfs/dbraw/zinc/65/89/24/583658924.db2.gz ZASSHYJSEDWTJI-UHFFFAOYSA-N 1 2 243.326 1.629 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(OC)o1 ZINC000895356534 583658935 /nfs/dbraw/zinc/65/89/35/583658935.db2.gz XQCBCCJOESVFAK-UHFFFAOYSA-N 1 2 231.267 1.706 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(OC)o1 ZINC000895356534 583658936 /nfs/dbraw/zinc/65/89/36/583658936.db2.gz XQCBCCJOESVFAK-UHFFFAOYSA-N 1 2 231.267 1.706 20 0 BDADLO CO[C@@H]1COCC[C@H]1N(C)c1cc[nH+]cc1F ZINC000882937343 583659666 /nfs/dbraw/zinc/65/96/66/583659666.db2.gz NATNBXKKMGLBEK-VXGBXAGGSA-N 1 2 240.278 1.461 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCCc3n[nH]cc3C2)c1C ZINC000895364504 583660612 /nfs/dbraw/zinc/66/06/12/583660612.db2.gz OLQMXLWGGJMFEH-UHFFFAOYSA-N 1 2 245.330 1.698 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCCc3n[nH]cc3C2)c1C ZINC000895364504 583660613 /nfs/dbraw/zinc/66/06/13/583660613.db2.gz OLQMXLWGGJMFEH-UHFFFAOYSA-N 1 2 245.330 1.698 20 0 BDADLO COc1ccc(F)c(C[NH2+]Cc2cnc[nH]2)c1 ZINC000895376201 583661434 /nfs/dbraw/zinc/66/14/34/583661434.db2.gz FOKKPZATGJWVQI-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000335715676 583665324 /nfs/dbraw/zinc/66/53/24/583665324.db2.gz OZJURHKHHMCNCQ-SNVBAGLBSA-N 1 2 235.331 1.863 20 0 BDADLO C[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CS(=O)(=O)C1 ZINC000895399207 583665895 /nfs/dbraw/zinc/66/58/95/583665895.db2.gz KWXYLKUSFHORDD-OUAUKWLOSA-N 1 2 243.372 1.151 20 0 BDADLO C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CS(=O)(=O)C1 ZINC000895399207 583665896 /nfs/dbraw/zinc/66/58/96/583665896.db2.gz KWXYLKUSFHORDD-OUAUKWLOSA-N 1 2 243.372 1.151 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000895404798 583666697 /nfs/dbraw/zinc/66/66/97/583666697.db2.gz HDVCLLJBVQGFGO-JTQLQIEISA-N 1 2 228.267 1.543 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000895404798 583666698 /nfs/dbraw/zinc/66/66/98/583666698.db2.gz HDVCLLJBVQGFGO-JTQLQIEISA-N 1 2 228.267 1.543 20 0 BDADLO COC(=O)c1cnc(C[NH2+]CC(C)(C)F)s1 ZINC000895414967 583667235 /nfs/dbraw/zinc/66/72/35/583667235.db2.gz IZDHTCNNJBMXFE-UHFFFAOYSA-N 1 2 246.307 1.767 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCCCC2)c[nH+]1 ZINC000895428329 583668734 /nfs/dbraw/zinc/66/87/34/583668734.db2.gz PKHVBDFPNVJQKG-UHFFFAOYSA-N 1 2 235.331 1.939 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@H]1C(F)F)C1CCOCC1 ZINC000895431359 583670318 /nfs/dbraw/zinc/67/03/18/583670318.db2.gz LLVVNSSFOFPWGN-WDEREUQCSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@H]1C(F)F)C1CCOCC1 ZINC000895431359 583670319 /nfs/dbraw/zinc/67/03/19/583670319.db2.gz LLVVNSSFOFPWGN-WDEREUQCSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@]1(C[N@@H+]2CC[C@H]2C(F)F)CCOC1 ZINC000895432242 583670775 /nfs/dbraw/zinc/67/07/75/583670775.db2.gz XQXXPHKHBZJUFO-WPRPVWTQSA-N 1 2 221.247 1.131 20 0 BDADLO CO[C@]1(C[N@H+]2CC[C@H]2C(F)F)CCOC1 ZINC000895432242 583670777 /nfs/dbraw/zinc/67/07/77/583670777.db2.gz XQXXPHKHBZJUFO-WPRPVWTQSA-N 1 2 221.247 1.131 20 0 BDADLO CO[C@]1(C[N@@H+]2CC[C@@H]2C(F)F)CCOC1 ZINC000895432240 583670959 /nfs/dbraw/zinc/67/09/59/583670959.db2.gz XQXXPHKHBZJUFO-SCZZXKLOSA-N 1 2 221.247 1.131 20 0 BDADLO CO[C@]1(C[N@H+]2CC[C@@H]2C(F)F)CCOC1 ZINC000895432240 583670961 /nfs/dbraw/zinc/67/09/61/583670961.db2.gz XQXXPHKHBZJUFO-SCZZXKLOSA-N 1 2 221.247 1.131 20 0 BDADLO CSC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884506 588920713 /nfs/dbraw/zinc/92/07/13/588920713.db2.gz JNFREJNACDWULV-MRVPVSSYSA-N 1 2 239.344 1.066 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(F)CCCC1 ZINC000857887367 588920942 /nfs/dbraw/zinc/92/09/42/588920942.db2.gz PZIGCXAYUZNXMR-VIFPVBQESA-N 1 2 237.278 1.206 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857889620 588921036 /nfs/dbraw/zinc/92/10/36/588921036.db2.gz LVXCIVBGFHMAHP-ORAHPGNNSA-N 1 2 233.315 1.526 20 0 BDADLO CC/C=C(/C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888496 588921049 /nfs/dbraw/zinc/92/10/49/588921049.db2.gz VKZKNUZKERRMIF-ZUYFITGHSA-N 1 2 219.288 1.280 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888495 588921114 /nfs/dbraw/zinc/92/11/14/588921114.db2.gz VKZKNUZKERRMIF-WXLQGSQKSA-N 1 2 219.288 1.280 20 0 BDADLO COC(=O)/C(C)=C/CNc1nc[nH+]c(C)c1C ZINC000895508723 583681751 /nfs/dbraw/zinc/68/17/51/583681751.db2.gz LESMRAKBNFMVQS-VMPITWQZSA-N 1 2 235.287 1.625 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCC2)c[nH+]1 ZINC000895521447 583681992 /nfs/dbraw/zinc/68/19/92/583681992.db2.gz DRFKDIZOOSPDJM-UHFFFAOYSA-N 1 2 207.277 1.159 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000895525984 583684285 /nfs/dbraw/zinc/68/42/85/583684285.db2.gz GWYKBOJBWHLBPV-GMTAPVOTSA-N 1 2 248.330 1.408 20 0 BDADLO CCC/C(C)=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887820 588921338 /nfs/dbraw/zinc/92/13/38/588921338.db2.gz PAZNXWXDTFPRPH-VQNWOSHQSA-N 1 2 233.315 1.670 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857889622 588921504 /nfs/dbraw/zinc/92/15/04/588921504.db2.gz LVXCIVBGFHMAHP-YEZKRMTDSA-N 1 2 233.315 1.526 20 0 BDADLO C[C@H]1CO[C@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608618 583695555 /nfs/dbraw/zinc/69/55/55/583695555.db2.gz QVIJSCYSIIKUTI-MNOVXSKESA-N 1 2 249.314 1.035 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1ccnc(Cl)c1F)C2 ZINC000895652108 583703155 /nfs/dbraw/zinc/70/31/55/583703155.db2.gz FNAVRSWZYXKHIK-KWQFWETISA-N 1 2 242.681 1.441 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1ccnc(Cl)c1F)C2 ZINC000895652108 583703157 /nfs/dbraw/zinc/70/31/57/583703157.db2.gz FNAVRSWZYXKHIK-KWQFWETISA-N 1 2 242.681 1.441 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000857944279 588924459 /nfs/dbraw/zinc/92/44/59/588924459.db2.gz KBAUGVZHTPBRIT-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2cn[nH]c2)c[nH+]1 ZINC000895668642 583705689 /nfs/dbraw/zinc/70/56/89/583705689.db2.gz PVMOLLKHYPCSFT-UHFFFAOYSA-N 1 2 233.275 1.288 20 0 BDADLO CCOc1ccc(CNCc2[nH]cc[nH+]2)o1 ZINC000895703822 583710472 /nfs/dbraw/zinc/71/04/72/583710472.db2.gz GXSXHDBXJFOTGO-UHFFFAOYSA-N 1 2 221.260 1.691 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000895703822 583710474 /nfs/dbraw/zinc/71/04/74/583710474.db2.gz GXSXHDBXJFOTGO-UHFFFAOYSA-N 1 2 221.260 1.691 20 0 BDADLO C[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000895726912 583713506 /nfs/dbraw/zinc/71/35/06/583713506.db2.gz KFQXDEKRRBEQEY-WDSKDSINSA-N 1 2 233.218 1.274 20 0 BDADLO Cc1noc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000895766635 583719362 /nfs/dbraw/zinc/71/93/62/583719362.db2.gz WGKCULYRVKHINB-MRVPVSSYSA-N 1 2 238.291 1.189 20 0 BDADLO Cc1noc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000895766635 583719363 /nfs/dbraw/zinc/71/93/63/583719363.db2.gz WGKCULYRVKHINB-MRVPVSSYSA-N 1 2 238.291 1.189 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000895756817 583720806 /nfs/dbraw/zinc/72/08/06/583720806.db2.gz MSMNFYGTZBBJPD-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CCc1ccc(C[N@H+]2CCCn3nncc3C2)o1 ZINC000895756817 583720808 /nfs/dbraw/zinc/72/08/08/583720808.db2.gz MSMNFYGTZBBJPD-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857948764 588924856 /nfs/dbraw/zinc/92/48/56/588924856.db2.gz QHYFXZIYWSPYQW-MRVPVSSYSA-N 1 2 225.267 1.062 20 0 BDADLO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC000895804393 583731388 /nfs/dbraw/zinc/73/13/88/583731388.db2.gz RFWPCWXLTGKASJ-YPMHNXCESA-N 1 2 233.311 1.831 20 0 BDADLO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCOC1=O ZINC000895804430 583731490 /nfs/dbraw/zinc/73/14/90/583731490.db2.gz SMDNATYBASKVMW-CABZTGNLSA-N 1 2 237.274 1.662 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000895803287 583731510 /nfs/dbraw/zinc/73/15/10/583731510.db2.gz FWCAGSCBGZYQIP-YPMHNXCESA-N 1 2 231.295 1.622 20 0 BDADLO COc1ccc(C[C@H](C)[NH2+][C@H]2CCOC2=O)cc1 ZINC000895805121 583732162 /nfs/dbraw/zinc/73/21/62/583732162.db2.gz PLDITHCNEHKPND-GWCFXTLKSA-N 1 2 249.310 1.531 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895808483 583732757 /nfs/dbraw/zinc/73/27/57/583732757.db2.gz JDYPJRYDDBYKIP-VGMNWLOBSA-N 1 2 215.318 1.176 20 0 BDADLO C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCOC1=O ZINC000895808300 583732815 /nfs/dbraw/zinc/73/28/15/583732815.db2.gz KWTGIRPNDQVRSB-JQWIXIFHSA-N 1 2 234.299 1.308 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1(C2CC2)CC1 ZINC000895827253 583733077 /nfs/dbraw/zinc/73/30/77/583733077.db2.gz IMIFOFJCXRZMNR-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857946946 588925100 /nfs/dbraw/zinc/92/51/00/588925100.db2.gz IUHRBZBBRSSGLM-KOLCDFICSA-N 1 2 239.294 1.308 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(CCF)CC1 ZINC000857979703 588925730 /nfs/dbraw/zinc/92/57/30/588925730.db2.gz ZCHWAOZFYRBLJR-VIFPVBQESA-N 1 2 237.278 1.584 20 0 BDADLO C/C=C/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857965836 588925861 /nfs/dbraw/zinc/92/58/61/588925861.db2.gz ROSXZIXUNRDQHX-SWVIMVIYSA-N 1 2 231.299 1.446 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000895905064 583742910 /nfs/dbraw/zinc/74/29/10/583742910.db2.gz HOXJKKHDXNJZKK-WCBMZHEXSA-N 1 2 219.288 1.801 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000895911750 583745573 /nfs/dbraw/zinc/74/55/73/583745573.db2.gz WGUNFQUIVYUHBZ-KCJUWKMLSA-N 1 2 244.298 1.659 20 0 BDADLO CCc1nocc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976528 588926117 /nfs/dbraw/zinc/92/61/17/588926117.db2.gz GKGXCHBKKBFZRC-SNVBAGLBSA-N 1 2 246.270 1.308 20 0 BDADLO Brc1ccc[nH+]c1N1CCOCN1 ZINC000895925860 583747680 /nfs/dbraw/zinc/74/76/80/583747680.db2.gz QIKMRPIPOURYIO-UHFFFAOYSA-N 1 2 244.092 1.143 20 0 BDADLO Cc1nc(N2CCC[C@@H]2c2ncccn2)cc[nH+]1 ZINC000895946555 583749617 /nfs/dbraw/zinc/74/96/17/583749617.db2.gz ZNSOFOVYPSOUOE-LLVKDONJSA-N 1 2 241.298 1.917 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc3n[nH]cc32)CCO1 ZINC000895963617 583753992 /nfs/dbraw/zinc/75/39/92/583753992.db2.gz QVUPEHQFGBEENW-ZDUSSCGKSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc3n[nH]cc32)CCO1 ZINC000895963617 583753994 /nfs/dbraw/zinc/75/39/94/583753994.db2.gz QVUPEHQFGBEENW-ZDUSSCGKSA-N 1 2 247.298 1.368 20 0 BDADLO CC1(C)CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)O1 ZINC000857978327 588926639 /nfs/dbraw/zinc/92/66/39/588926639.db2.gz FFAGIDVMSKENGZ-MWLCHTKSSA-N 1 2 249.314 1.402 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H]2CCn3c[nH+]cc32)[nH]1 ZINC000857977086 588926660 /nfs/dbraw/zinc/92/66/60/588926660.db2.gz RPWAVIDFRAYVOU-VIFPVBQESA-N 1 2 245.286 1.098 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000857977471 588926723 /nfs/dbraw/zinc/92/67/23/588926723.db2.gz VWGLKUITCVDYGC-DDHJBXDOSA-N 1 2 245.326 1.880 20 0 BDADLO COCC1(CC(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857977787 588926785 /nfs/dbraw/zinc/92/67/85/588926785.db2.gz ZLKPPWPIYCLMGW-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000857977012 588926983 /nfs/dbraw/zinc/92/69/83/588926983.db2.gz QALABIFUAPJNTP-SVDPJWKOSA-N 1 2 247.298 1.012 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978683 588927088 /nfs/dbraw/zinc/92/70/88/588927088.db2.gz QBRDSDPXTGMEBX-CBZSPVTBSA-N 1 2 247.298 1.179 20 0 BDADLO COC/C(C)=C/C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979693 588927180 /nfs/dbraw/zinc/92/71/80/588927180.db2.gz YXCXVHHJGXUEQB-CYNRKNSPSA-N 1 2 235.287 1.037 20 0 BDADLO CC[C@H](SC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979951 588927497 /nfs/dbraw/zinc/92/74/97/588927497.db2.gz HCLWXIVJKUCKMJ-SCZZXKLOSA-N 1 2 239.344 1.586 20 0 BDADLO CS[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980599 588927552 /nfs/dbraw/zinc/92/75/52/588927552.db2.gz LYCJWQRKQKJMGY-BDAKNGLRSA-N 1 2 239.344 1.586 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(CCF)CC1 ZINC000857979702 588927572 /nfs/dbraw/zinc/92/75/72/588927572.db2.gz ZCHWAOZFYRBLJR-SECBINFHSA-N 1 2 237.278 1.584 20 0 BDADLO CC1(OCC(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857979607 588927594 /nfs/dbraw/zinc/92/75/94/588927594.db2.gz DPQAVTPMXZAXHI-SNVBAGLBSA-N 1 2 249.314 1.403 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCCC(C)C)[C@@H](C)O ZINC000896040652 583767011 /nfs/dbraw/zinc/76/70/11/583767011.db2.gz AVWLCLWTBVXXPI-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC1CC=CC1 ZINC000896094766 583771547 /nfs/dbraw/zinc/77/15/47/583771547.db2.gz QWOWJCQFQIWAAY-UHFFFAOYSA-N 1 2 234.303 1.836 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC1CC=CC1 ZINC000896094766 583771549 /nfs/dbraw/zinc/77/15/49/583771549.db2.gz QWOWJCQFQIWAAY-UHFFFAOYSA-N 1 2 234.303 1.836 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2CCn3c[nH+]cc32)o1 ZINC000857982854 588928062 /nfs/dbraw/zinc/92/80/62/588928062.db2.gz MXSWLNBRAQWZAI-SNVBAGLBSA-N 1 2 245.282 1.968 20 0 BDADLO C[C@H](O)c1cccc(NCC[C@@H]2CNC(=O)C2)[nH+]1 ZINC000896135930 583775434 /nfs/dbraw/zinc/77/54/34/583775434.db2.gz RSULKIRIGSWTSJ-UWVGGRQHSA-N 1 2 249.314 1.073 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857983776 588928383 /nfs/dbraw/zinc/92/83/83/588928383.db2.gz UYZUGHMRCGLZOW-WPRPVWTQSA-N 1 2 219.288 1.490 20 0 BDADLO C[C@H]1CO[C@H](c2nc(Cc3c[nH+]cn3C)no2)C1 ZINC000896165513 583776883 /nfs/dbraw/zinc/77/68/83/583776883.db2.gz MYLHWEYVTMNVFD-SCZZXKLOSA-N 1 2 248.286 1.491 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCSC1 ZINC000857983759 588928734 /nfs/dbraw/zinc/92/87/34/588928734.db2.gz UKIKLTBBBVRGPX-IUCAKERBSA-N 1 2 237.328 1.197 20 0 BDADLO C/C(=C/C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986804 588929529 /nfs/dbraw/zinc/92/95/29/588929529.db2.gz XAQBSEWRQAOUJK-WDDYJBPVSA-N 1 2 231.299 1.800 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)on1 ZINC000857989675 588929628 /nfs/dbraw/zinc/92/96/28/588929628.db2.gz SJMNTHAQAAUQNO-QMMMGPOBSA-N 1 2 232.243 1.054 20 0 BDADLO CCO[C@@H](C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995809 588929644 /nfs/dbraw/zinc/92/96/44/588929644.db2.gz HVGOCYZVXLFTBJ-JTQLQIEISA-N 1 2 249.314 1.574 20 0 BDADLO CC[C@](C)(OC)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896314072 583791432 /nfs/dbraw/zinc/79/14/32/583791432.db2.gz QSXAUEYHUNLDND-NSHDSACASA-N 1 2 239.319 1.892 20 0 BDADLO C/C=C\C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857994543 588930169 /nfs/dbraw/zinc/93/01/69/588930169.db2.gz LDHPCYZFEKHHPN-ARJAWSKDSA-N 1 2 217.272 1.725 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)c1cn[nH]c1)CCN2 ZINC000857996437 588930174 /nfs/dbraw/zinc/93/01/74/588930174.db2.gz BXSIJCOLYIPUGC-UHFFFAOYSA-N 1 2 243.270 1.185 20 0 BDADLO CCO[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000896404275 583799952 /nfs/dbraw/zinc/79/99/52/583799952.db2.gz JMEQPJFAPZTLNK-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1cc(NCCO[C@@H]2CCOC2)nc[nH+]1 ZINC000896471746 583802858 /nfs/dbraw/zinc/80/28/58/583802858.db2.gz DIVTWLMYPUUIJE-SNVBAGLBSA-N 1 2 223.276 1.002 20 0 BDADLO COC[C@@H](CNc1cc(CO)cc[nH+]1)C(C)C ZINC000896503258 583807767 /nfs/dbraw/zinc/80/77/67/583807767.db2.gz LZXYEMIXNFFSRU-GFCCVEGCSA-N 1 2 238.331 1.904 20 0 BDADLO Cc1cc(N2CCOC[C@H]2CC2CC2)nc[nH+]1 ZINC000896639004 583819949 /nfs/dbraw/zinc/81/99/49/583819949.db2.gz SPSBZBVWGJIZRF-GFCCVEGCSA-N 1 2 233.315 1.790 20 0 BDADLO CCC1(CC)CNC(=O)[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000896672507 583822073 /nfs/dbraw/zinc/82/20/73/583822073.db2.gz CWLIZKVQOAOZHZ-NSHDSACASA-N 1 2 248.330 1.502 20 0 BDADLO CCc1nc(N[C@H]2C[C@H](CO)C2)cc[nH+]1 ZINC000896697250 583825157 /nfs/dbraw/zinc/82/51/57/583825157.db2.gz OQHXZDFZRIGGMP-KYZUINATSA-N 1 2 207.277 1.222 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCn3cccc3C2)c1C ZINC000896763863 583831175 /nfs/dbraw/zinc/83/11/75/583831175.db2.gz SOJNSGUBTPFBEJ-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCn3cccc3C2)c1C ZINC000896763863 583831177 /nfs/dbraw/zinc/83/11/77/583831177.db2.gz SOJNSGUBTPFBEJ-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO CCCn1cc(C[N@@H+]2CCn3cccc3C2)nn1 ZINC000896763224 583831645 /nfs/dbraw/zinc/83/16/45/583831645.db2.gz MKNPIPBAYUVKSG-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO CCCn1cc(C[N@H+]2CCn3cccc3C2)nn1 ZINC000896763224 583831648 /nfs/dbraw/zinc/83/16/48/583831648.db2.gz MKNPIPBAYUVKSG-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000896800010 583834838 /nfs/dbraw/zinc/83/48/38/583834838.db2.gz FKNHPOYDFOLGMS-OLZOCXBDSA-N 1 2 248.326 1.943 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1c(O)cccc1F ZINC000336157885 583843356 /nfs/dbraw/zinc/84/33/56/583843356.db2.gz GHVCZRQVXHWFIK-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO CCO[C@H](C(=O)NC1=[NH+]CCS1)C(C)C ZINC000858170049 588936800 /nfs/dbraw/zinc/93/68/00/588936800.db2.gz BEBICKNSCPNEQO-QMMMGPOBSA-N 1 2 230.333 1.267 20 0 BDADLO Cc1nc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)co1 ZINC000896911506 583853148 /nfs/dbraw/zinc/85/31/48/583853148.db2.gz WOTVTXQJHTUEGU-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO CSC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000896911652 583853220 /nfs/dbraw/zinc/85/32/20/583853220.db2.gz ZUYUPWZHURSDFN-UHFFFAOYSA-N 1 2 239.344 1.538 20 0 BDADLO COC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CCC1 ZINC000896913032 583854177 /nfs/dbraw/zinc/85/41/77/583854177.db2.gz MBIGWXMDRNHKHP-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[nH+]c1C ZINC000896916226 583854824 /nfs/dbraw/zinc/85/48/24/583854824.db2.gz VERLCZWLMFOYGS-IAZYJMLFSA-N 1 2 233.315 1.689 20 0 BDADLO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000796480379 583855960 /nfs/dbraw/zinc/85/59/60/583855960.db2.gz DIFQLQLECVPKDF-SMDDNHRTSA-N 1 2 245.326 1.930 20 0 BDADLO CCO[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922363 583856959 /nfs/dbraw/zinc/85/69/59/583856959.db2.gz NUOQVWXDNMJJON-SECBINFHSA-N 1 2 225.292 1.068 20 0 BDADLO CS[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896921863 583857249 /nfs/dbraw/zinc/85/72/49/583857249.db2.gz IBZZGASALVIANB-MRVPVSSYSA-N 1 2 227.333 1.394 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000896927235 583858548 /nfs/dbraw/zinc/85/85/48/583858548.db2.gz OUSWSYJODNKMSY-KXUCPTDWSA-N 1 2 214.309 1.078 20 0 BDADLO CCCCC[C@@H](C)[NH2+]CC(=O)NOC ZINC000896927688 583859106 /nfs/dbraw/zinc/85/91/06/583859106.db2.gz ULXNGLBTUWRYLN-SECBINFHSA-N 1 2 202.298 1.222 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cccc(C)n2)[nH+]c1C ZINC000896927458 583859456 /nfs/dbraw/zinc/85/94/56/583859456.db2.gz MBBOIUPOXRSACL-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CCCC(CCC)[NH2+]CC(=O)NOC ZINC000896927306 583859614 /nfs/dbraw/zinc/85/96/14/583859614.db2.gz PMXIMHYCUUUWCR-UHFFFAOYSA-N 1 2 202.298 1.222 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000896959254 583863498 /nfs/dbraw/zinc/86/34/98/583863498.db2.gz VRWNUYOYYKDWJX-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000896959254 583863500 /nfs/dbraw/zinc/86/35/00/583863500.db2.gz VRWNUYOYYKDWJX-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000896959510 583863607 /nfs/dbraw/zinc/86/36/07/583863607.db2.gz AESBSSULTMDHER-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000896959510 583863608 /nfs/dbraw/zinc/86/36/08/583863608.db2.gz AESBSSULTMDHER-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc[nH+]1 ZINC000897075779 583876597 /nfs/dbraw/zinc/87/65/97/583876597.db2.gz QQNKPUPIDYCQDH-ULHKAFAUSA-N 1 2 217.272 1.373 20 0 BDADLO Cc1cc(N2CC[C@H]2CO)nc(C2CCC2)[nH+]1 ZINC000897119244 583882514 /nfs/dbraw/zinc/88/25/14/583882514.db2.gz SYKBHHFITLMIND-NSHDSACASA-N 1 2 233.315 1.624 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1CC ZINC000862403976 583962332 /nfs/dbraw/zinc/96/23/32/583962332.db2.gz ZNCXOUIYRSELLO-NWDGAFQWSA-N 1 2 242.363 1.860 20 0 BDADLO C[C@H]1CO[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000888161414 583975566 /nfs/dbraw/zinc/97/55/66/583975566.db2.gz ZEKSVESREFBAON-KOLCDFICSA-N 1 2 249.314 1.511 20 0 BDADLO Cn1nccc1[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000897558968 584018201 /nfs/dbraw/zinc/01/82/01/584018201.db2.gz PGOIPZNTCQTLRI-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000897558968 584018203 /nfs/dbraw/zinc/01/82/03/584018203.db2.gz PGOIPZNTCQTLRI-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cccc(C)n1 ZINC000842037319 584023607 /nfs/dbraw/zinc/02/36/07/584023607.db2.gz XJBPTYIVISEWLB-VIFPVBQESA-N 1 2 223.276 1.423 20 0 BDADLO O=C1CN(c2[nH+]ccc3ccccc32)CCCN1 ZINC000858385909 588950350 /nfs/dbraw/zinc/95/03/50/588950350.db2.gz JZOJLIWBSDRUSV-UHFFFAOYSA-N 1 2 241.294 1.561 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2[C@@H](C)C[C@@H]2C)c[nH+]1 ZINC000897614140 584031599 /nfs/dbraw/zinc/03/15/99/584031599.db2.gz VENJGMKCKSINKW-QWRGUYRKSA-N 1 2 235.331 1.936 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCCF)c[nH+]1 ZINC000897641088 584034509 /nfs/dbraw/zinc/03/45/09/584034509.db2.gz VKBXUSUHCOHNGU-UHFFFAOYSA-N 1 2 213.256 1.012 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CO[C@@H](CC)C1)C(=O)OC ZINC000897834247 584052948 /nfs/dbraw/zinc/05/29/48/584052948.db2.gz KRYOLKSFRFAPEZ-OUAUKWLOSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@]1([NH2+]Cc2nc3ccccc3o2)CCNC1=O ZINC000897868088 584055445 /nfs/dbraw/zinc/05/54/45/584055445.db2.gz GDVUEUDCVMPTOX-ZDUSSCGKSA-N 1 2 245.282 1.196 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1cc(C)no1 ZINC000898025942 584076757 /nfs/dbraw/zinc/07/67/57/584076757.db2.gz RQNQJIFZHQWMFW-UHFFFAOYSA-N 1 2 236.275 1.015 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cn(C)nc2C2CC2)c1 ZINC000898041768 584079885 /nfs/dbraw/zinc/07/98/85/584079885.db2.gz AKHAIGULHDQGKA-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO Cn1ccc(C[NH+]2CC(Cc3ccoc3)C2)n1 ZINC000898160463 584087621 /nfs/dbraw/zinc/08/76/21/584087621.db2.gz GNKYRKKJMFLQLW-UHFFFAOYSA-N 1 2 231.299 1.688 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898186755 584093889 /nfs/dbraw/zinc/09/38/89/584093889.db2.gz FLAONZVRVWOUQN-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898186755 584093890 /nfs/dbraw/zinc/09/38/90/584093890.db2.gz FLAONZVRVWOUQN-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898188657 584095071 /nfs/dbraw/zinc/09/50/71/584095071.db2.gz SNVLUJRITOEVOU-RYUDHWBXSA-N 1 2 227.279 1.747 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898188657 584095073 /nfs/dbraw/zinc/09/50/73/584095073.db2.gz SNVLUJRITOEVOU-RYUDHWBXSA-N 1 2 227.279 1.747 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@H](F)C2)n1 ZINC000898192208 584095431 /nfs/dbraw/zinc/09/54/31/584095431.db2.gz GWEYUEILIXURCN-KOLCDFICSA-N 1 2 240.278 1.000 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@H]2C2CC2)c1 ZINC000898629542 584146995 /nfs/dbraw/zinc/14/69/95/584146995.db2.gz OKDKABIPWPHRLD-LBPRGKRZSA-N 1 2 248.330 1.504 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@@H](F)C2)c1 ZINC000898615547 584147114 /nfs/dbraw/zinc/14/71/14/584147114.db2.gz IEPOAQWOLUFRAP-SECBINFHSA-N 1 2 240.282 1.064 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883086 584164147 /nfs/dbraw/zinc/16/41/47/584164147.db2.gz CEUSGKAIVFXFPC-VIFPVBQESA-N 1 2 239.319 1.006 20 0 BDADLO Cc1ncoc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898904684 584165016 /nfs/dbraw/zinc/16/50/16/584165016.db2.gz ZCUUCPZNVFYJCM-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC23CCC3)c[nH+]1 ZINC000899200405 584180727 /nfs/dbraw/zinc/18/07/27/584180727.db2.gz LJGZVVSNRJRDTL-NSHDSACASA-N 1 2 247.342 1.985 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](CF)C1 ZINC000899205177 584181710 /nfs/dbraw/zinc/18/17/10/584181710.db2.gz KYLBMCCKDXEANZ-OPRDCNLKSA-N 1 2 237.278 1.331 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](CF)C1 ZINC000899205177 584181712 /nfs/dbraw/zinc/18/17/12/584181712.db2.gz KYLBMCCKDXEANZ-OPRDCNLKSA-N 1 2 237.278 1.331 20 0 BDADLO C[C@@H]1C[C@@H](Nc2nccnc2F)c2[nH+]ccn21 ZINC000858563542 588965996 /nfs/dbraw/zinc/96/59/96/588965996.db2.gz XAGJTVKSYLPXPB-HTQZYQBOSA-N 1 2 233.250 1.930 20 0 BDADLO CC[C@@H](C)CS(=O)(=O)CCc1c[nH+]cn1C ZINC000899480248 584218198 /nfs/dbraw/zinc/21/81/98/584218198.db2.gz CUXWYTCKHUAXPV-SNVBAGLBSA-N 1 2 244.360 1.424 20 0 BDADLO CCn1cc(C[N@H+](C)CC2=CCCOC2)nn1 ZINC000899882495 584246409 /nfs/dbraw/zinc/24/64/09/584246409.db2.gz OKYTUTMLGWMOJL-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1cc(C[N@@H+](C)CC2=CCCOC2)nn1 ZINC000899882495 584246411 /nfs/dbraw/zinc/24/64/11/584246411.db2.gz OKYTUTMLGWMOJL-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CC(C)CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900076466 584269595 /nfs/dbraw/zinc/26/95/95/584269595.db2.gz MSFHZHUXMHDTOE-SNVBAGLBSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)CC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900076466 584269598 /nfs/dbraw/zinc/26/95/98/584269598.db2.gz MSFHZHUXMHDTOE-SNVBAGLBSA-N 1 2 223.320 1.893 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900078445 584270475 /nfs/dbraw/zinc/27/04/75/584270475.db2.gz WVBKVEZWYIUYSC-QMMMGPOBSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900121894 584275176 /nfs/dbraw/zinc/27/51/76/584275176.db2.gz CJMFKAJRZZGNIK-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900121894 584275180 /nfs/dbraw/zinc/27/51/80/584275180.db2.gz CJMFKAJRZZGNIK-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900180560 584283108 /nfs/dbraw/zinc/28/31/08/584283108.db2.gz PTSDWZFBWYJENS-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO CC1(C)CN(C(=O)CNc2cccc[nH+]2)CCO1 ZINC000900186426 584284117 /nfs/dbraw/zinc/28/41/17/584284117.db2.gz SODGLQYQXQWDJH-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO C/C(=C(/F)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000900193110 584284806 /nfs/dbraw/zinc/28/48/06/584284806.db2.gz ADCFLTLSLMVFCI-LUAWRHEFSA-N 1 2 237.278 1.653 20 0 BDADLO C[C@H](Cc1ccsc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900320766 584294883 /nfs/dbraw/zinc/29/48/83/584294883.db2.gz IWUOOAPPMARGMP-SECBINFHSA-N 1 2 249.339 1.761 20 0 BDADLO C[C@H](Cc1ccsc1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900320766 584294885 /nfs/dbraw/zinc/29/48/85/584294885.db2.gz IWUOOAPPMARGMP-SECBINFHSA-N 1 2 249.339 1.761 20 0 BDADLO C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900372035 584298319 /nfs/dbraw/zinc/29/83/19/584298319.db2.gz NCQKBVDFHMJILN-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900372035 584298320 /nfs/dbraw/zinc/29/83/20/584298320.db2.gz NCQKBVDFHMJILN-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1cccc2c1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000900429008 584308634 /nfs/dbraw/zinc/30/86/34/584308634.db2.gz GMOVITZAQUHHIR-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO Cc1cccc2c1CCN2C(=O)Cc1c[nH]c[nH+]1 ZINC000900429008 584308636 /nfs/dbraw/zinc/30/86/36/584308636.db2.gz GMOVITZAQUHHIR-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)CCF)c1C ZINC000900447003 584311344 /nfs/dbraw/zinc/31/13/44/584311344.db2.gz XJEYCKUSGAMGSJ-UHFFFAOYSA-N 1 2 240.278 1.683 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cnoc1 ZINC000900473869 584317486 /nfs/dbraw/zinc/31/74/86/584317486.db2.gz KNXTYGSBEOYCIU-SECBINFHSA-N 1 2 223.276 1.486 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cnoc1 ZINC000900473869 584317488 /nfs/dbraw/zinc/31/74/88/584317488.db2.gz KNXTYGSBEOYCIU-SECBINFHSA-N 1 2 223.276 1.486 20 0 BDADLO O=C(CCF)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000900540484 584323846 /nfs/dbraw/zinc/32/38/46/584323846.db2.gz JYVJXSQGGQYKAV-SECBINFHSA-N 1 2 225.267 1.475 20 0 BDADLO COC(=O)C1=CC[C@H](Nc2cccc[nH+]2)C1 ZINC000858689602 588974527 /nfs/dbraw/zinc/97/45/27/588974527.db2.gz HSDHEYXIAGPEID-JTQLQIEISA-N 1 2 218.256 1.755 20 0 BDADLO C/C(Cl)=C\C(=O)NCc1[nH+]ccn1C ZINC000900564565 584325566 /nfs/dbraw/zinc/32/55/66/584325566.db2.gz ZNIPDSCGNMWYBZ-FNORWQNLSA-N 1 2 213.668 1.179 20 0 BDADLO CCC/C=C\[C@@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900625777 584333350 /nfs/dbraw/zinc/33/33/50/584333350.db2.gz NQKBIFINIYBAQM-WWQCOOJYSA-N 1 2 237.303 1.085 20 0 BDADLO CC(C)c1cc(CNC(=O)Cc2c[nH]c[nH+]2)on1 ZINC000900720648 584344233 /nfs/dbraw/zinc/34/42/33/584344233.db2.gz VWULBTGMOLTRJP-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO CC(C)c1cc(CNC(=O)Cc2c[nH+]c[nH]2)on1 ZINC000900720648 584344235 /nfs/dbraw/zinc/34/42/35/584344235.db2.gz VWULBTGMOLTRJP-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO Cc1noc(C)c1[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900714039 584344332 /nfs/dbraw/zinc/34/43/32/584344332.db2.gz RAXRDGIVJUQWDH-SSDOTTSWSA-N 1 2 248.286 1.434 20 0 BDADLO Cc1noc(C)c1[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900714039 584344333 /nfs/dbraw/zinc/34/43/33/584344333.db2.gz RAXRDGIVJUQWDH-SSDOTTSWSA-N 1 2 248.286 1.434 20 0 BDADLO C/C(Cl)=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718386 584344668 /nfs/dbraw/zinc/34/46/68/584344668.db2.gz SEVFLVAAAZZQRU-XBXARRHUSA-N 1 2 225.679 1.409 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC=CCC1 ZINC000900763178 584346553 /nfs/dbraw/zinc/34/65/53/584346553.db2.gz IQVZHFCZAQBECC-LLVKDONJSA-N 1 2 231.299 1.718 20 0 BDADLO COc1ncc(CCNc2cc(C)[nH+]cn2)cn1 ZINC000858820620 588977797 /nfs/dbraw/zinc/97/77/97/588977797.db2.gz AQZOEDVJDBPSGM-UHFFFAOYSA-N 1 2 245.286 1.238 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C\[C@@H]2CCCO2)[nH+]c1C ZINC000901001584 584373066 /nfs/dbraw/zinc/37/30/66/584373066.db2.gz XQEIYLJNOPKGLL-GZTOBOFZSA-N 1 2 249.314 1.378 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@@H]2CCCO2)[nH+]c1C ZINC000901001584 584373069 /nfs/dbraw/zinc/37/30/69/584373069.db2.gz XQEIYLJNOPKGLL-GZTOBOFZSA-N 1 2 249.314 1.378 20 0 BDADLO Cc1ccc(NC(=O)CC2COC2)c(C)[nH+]1 ZINC000901014356 584374525 /nfs/dbraw/zinc/37/45/25/584374525.db2.gz UJIORYXEWVKMPO-UHFFFAOYSA-N 1 2 220.272 1.673 20 0 BDADLO C/C=C(\C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996563 584374983 /nfs/dbraw/zinc/37/49/83/584374983.db2.gz FQCJJWMYWXFNDM-FNORWQNLSA-N 1 2 207.277 1.609 20 0 BDADLO CC=C(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996563 584374985 /nfs/dbraw/zinc/37/49/85/584374985.db2.gz FQCJJWMYWXFNDM-FNORWQNLSA-N 1 2 207.277 1.609 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC2(CCC2)C1 ZINC000901030789 584375832 /nfs/dbraw/zinc/37/58/32/584375832.db2.gz JTGUPQFKDZMHAL-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C2CC2)CC1 ZINC000901061805 584380247 /nfs/dbraw/zinc/38/02/47/584380247.db2.gz AUBHRNXIOBPDBN-UHFFFAOYSA-N 1 2 205.261 1.011 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC1(C2CC2)CC1 ZINC000901061805 584380249 /nfs/dbraw/zinc/38/02/49/584380249.db2.gz AUBHRNXIOBPDBN-UHFFFAOYSA-N 1 2 205.261 1.011 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000901120622 584386898 /nfs/dbraw/zinc/38/68/98/584386898.db2.gz DYYGYMYBATWWRT-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000901120622 584386901 /nfs/dbraw/zinc/38/69/01/584386901.db2.gz DYYGYMYBATWWRT-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO C[C@H]1COCCCN1C(=O)CNc1cccc[nH+]1 ZINC000901153548 584391705 /nfs/dbraw/zinc/39/17/05/584391705.db2.gz XJEDTOCUVMJZGL-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO O=C(CCF)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000901191276 584396299 /nfs/dbraw/zinc/39/62/99/584396299.db2.gz PUUYCCMOSRVTFN-JTQLQIEISA-N 1 2 237.278 1.136 20 0 BDADLO CC(C)CSCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901212555 584400804 /nfs/dbraw/zinc/40/08/04/584400804.db2.gz NENRKFJXDDGKCS-UHFFFAOYSA-N 1 2 241.360 1.458 20 0 BDADLO CC(C)CSCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000901212555 584400806 /nfs/dbraw/zinc/40/08/06/584400806.db2.gz NENRKFJXDDGKCS-UHFFFAOYSA-N 1 2 241.360 1.458 20 0 BDADLO C[C@H]1CC(NC(=O)Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000901284202 584421763 /nfs/dbraw/zinc/42/17/63/584421763.db2.gz WQJJFVDLRRBOQP-IUCAKERBSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@H]1CC(NC(=O)Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000901284202 584421764 /nfs/dbraw/zinc/42/17/64/584421764.db2.gz WQJJFVDLRRBOQP-IUCAKERBSA-N 1 2 237.303 1.024 20 0 BDADLO CC1(C)CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000901287840 584422229 /nfs/dbraw/zinc/42/22/29/584422229.db2.gz PKONCPCUIAYFDU-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901287840 584422230 /nfs/dbraw/zinc/42/22/30/584422230.db2.gz PKONCPCUIAYFDU-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CNc2cccc[nH+]2)CCO1 ZINC000901293407 584423140 /nfs/dbraw/zinc/42/31/40/584423140.db2.gz FOXSFXZNIDXSNM-GHMZBOCLSA-N 1 2 249.314 1.177 20 0 BDADLO CN(C)c1ccc(CNC(=O)OCCF)c[nH+]1 ZINC000858895958 588983352 /nfs/dbraw/zinc/98/33/52/588983352.db2.gz MKPCUYXXJTUBEH-UHFFFAOYSA-N 1 2 241.266 1.343 20 0 BDADLO c1c(CC[NH+]2CCOCC2)onc1C1CC1 ZINC000901396145 584438613 /nfs/dbraw/zinc/43/86/13/584438613.db2.gz LHEPCMDYDQDWQA-UHFFFAOYSA-N 1 2 222.288 1.427 20 0 BDADLO Cc1ccc(CCC[NH2+][C@@H](C)C(=O)[O-])c[nH+]1 ZINC000901463201 584450969 /nfs/dbraw/zinc/45/09/69/584450969.db2.gz JHSPFQLVIPHWQZ-JTQLQIEISA-N 1 2 222.288 1.385 20 0 BDADLO Cc1nc(C)n(Cc2cc(C)cc(C)[nH+]2)n1 ZINC000901466293 584451382 /nfs/dbraw/zinc/45/13/82/584451382.db2.gz LBDAGNDQNMPOQU-UHFFFAOYSA-N 1 2 216.288 1.955 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CC[C@H](C(=O)[O-])C2)c[nH+]1 ZINC000901489206 584452528 /nfs/dbraw/zinc/45/25/28/584452528.db2.gz HDXXCHVCRFGYNE-ZDUSSCGKSA-N 1 2 248.326 1.729 20 0 BDADLO Cc1ccc(CCC[N@H+]2CC[C@H](C(=O)[O-])C2)c[nH+]1 ZINC000901489206 584452530 /nfs/dbraw/zinc/45/25/30/584452530.db2.gz HDXXCHVCRFGYNE-ZDUSSCGKSA-N 1 2 248.326 1.729 20 0 BDADLO CC(C)n1c[nH+]cc1C=C1SC(=O)NC1=O ZINC000901555709 584462263 /nfs/dbraw/zinc/46/22/63/584462263.db2.gz YYXONCDHUVVFFS-BAQGIRSFSA-N 1 2 237.284 1.788 20 0 BDADLO CCC[C@H](NCc1cn(C)c[nH+]1)C(=O)OCC ZINC000901684036 584480828 /nfs/dbraw/zinc/48/08/28/584480828.db2.gz SRSKPKPUOAXZIT-NSHDSACASA-N 1 2 239.319 1.242 20 0 BDADLO CCCC[C@@H](NCc1cn(C)c[nH+]1)C(=O)OC ZINC000901683469 584480849 /nfs/dbraw/zinc/48/08/49/584480849.db2.gz MMWQMWFMTQRLHV-LLVKDONJSA-N 1 2 239.319 1.242 20 0 BDADLO CCCc1nnc(NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000902043977 584516460 /nfs/dbraw/zinc/51/64/60/584516460.db2.gz NTWDIQGUQTVTJL-UHFFFAOYSA-N 1 2 235.291 1.974 20 0 BDADLO CCn1cccc(NCc2c[nH+]cn2C)c1=O ZINC000902123192 584528680 /nfs/dbraw/zinc/52/86/80/584528680.db2.gz UJPIUPGQGWMJLO-UHFFFAOYSA-N 1 2 232.287 1.214 20 0 BDADLO NC(=[NH+]OCC[C@@H]1CCNC1=O)c1ccccc1 ZINC000902122433 584528687 /nfs/dbraw/zinc/52/86/87/584528687.db2.gz CULZFFGEHDECOL-NSHDSACASA-N 1 2 247.298 1.059 20 0 BDADLO COc1cncc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000902127478 584528834 /nfs/dbraw/zinc/52/88/34/584528834.db2.gz SKTSORRIPBBRCR-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO NC(=[NH+]OC[C@H]1C[C@]12CCOC2)c1ccccc1 ZINC000902124241 584529064 /nfs/dbraw/zinc/52/90/64/584529064.db2.gz XILZKOGZBDPKKC-OCCSQVGLSA-N 1 2 246.310 1.960 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@]12CCOC2)c1ccccc1 ZINC000902124240 584529377 /nfs/dbraw/zinc/52/93/77/584529377.db2.gz XILZKOGZBDPKKC-JSGCOSHPSA-N 1 2 246.310 1.960 20 0 BDADLO CCn1cc(CNc2cc(F)cc[nH+]2)nn1 ZINC000902155574 584531895 /nfs/dbraw/zinc/53/18/95/584531895.db2.gz CVYRRKVNWUOUAU-UHFFFAOYSA-N 1 2 221.239 1.444 20 0 BDADLO CCn1c[nH+]cc1CNc1cccn(C)c1=O ZINC000902210731 584535351 /nfs/dbraw/zinc/53/53/51/584535351.db2.gz PXQIJYHNXZCJOY-UHFFFAOYSA-N 1 2 232.287 1.214 20 0 BDADLO C[C@H]1CC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H]1F ZINC000902212734 584536261 /nfs/dbraw/zinc/53/62/61/584536261.db2.gz IOFJSHOBBVIWKF-XWLWVQCSSA-N 1 2 226.295 1.102 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H]1F ZINC000902212734 584536262 /nfs/dbraw/zinc/53/62/62/584536262.db2.gz IOFJSHOBBVIWKF-XWLWVQCSSA-N 1 2 226.295 1.102 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1C[C@]12CCOC2 ZINC000902220466 584540599 /nfs/dbraw/zinc/54/05/99/584540599.db2.gz DUMHZDHCZBFPMG-JQWIXIFHSA-N 1 2 242.319 1.336 20 0 BDADLO Cn1c[nH+]cc1CCCN1C(=O)CC(C)(C)C1=O ZINC000902229312 584542036 /nfs/dbraw/zinc/54/20/36/584542036.db2.gz ZKQIAVVVHMYZJO-UHFFFAOYSA-N 1 2 249.314 1.138 20 0 BDADLO Cc1cccn(Cc2ccc(N(C)C)[nH+]c2)c1=O ZINC000902241289 584542493 /nfs/dbraw/zinc/54/24/93/584542493.db2.gz YJWPBTUSZQEESS-UHFFFAOYSA-N 1 2 243.310 1.666 20 0 BDADLO Cc1cc(OCc2ccc(N)[nH+]c2)nnc1C ZINC000902250578 584546694 /nfs/dbraw/zinc/54/66/94/584546694.db2.gz PWFLGXBBKXVXGK-UHFFFAOYSA-N 1 2 230.271 1.650 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC1CC2(CCC2)C1 ZINC000902280988 584547304 /nfs/dbraw/zinc/54/73/04/584547304.db2.gz IOZFFEZWARQYQT-MRVPVSSYSA-N 1 2 212.293 1.852 20 0 BDADLO CC[C@@]1(C)CC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902319120 584551504 /nfs/dbraw/zinc/55/15/04/584551504.db2.gz NQZRMZCQKHTUMB-ZDUSSCGKSA-N 1 2 247.298 1.339 20 0 BDADLO Cc1nc(C2CCC2)nn1Cc1ccc(N)[nH+]c1 ZINC000902296969 584552784 /nfs/dbraw/zinc/55/27/84/584552784.db2.gz KHZDZEBAWAUJBL-UHFFFAOYSA-N 1 2 243.314 1.880 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCCO1 ZINC000902383533 584577641 /nfs/dbraw/zinc/57/76/41/584577641.db2.gz UDDTWOAWODLHSP-WHOHXGKFSA-N 1 2 236.315 1.876 20 0 BDADLO Cc1nn(Cc2ccc(C)[nH+]c2C)cc1CO ZINC000902499968 584619891 /nfs/dbraw/zinc/61/98/91/584619891.db2.gz RVQTZVSRRBYOOX-UHFFFAOYSA-N 1 2 231.299 1.744 20 0 BDADLO CNc1ccccc1C[NH2+][C@H](C)c1ncnn1C ZINC000902525249 584632254 /nfs/dbraw/zinc/63/22/54/584632254.db2.gz XDZSKGXICVAEIL-SNVBAGLBSA-N 1 2 245.330 1.708 20 0 BDADLO C[C@@H]1CCN(C[N@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000902570842 584636116 /nfs/dbraw/zinc/63/61/16/584636116.db2.gz YBPKNUJRQZGXHT-SNVBAGLBSA-N 1 2 249.314 1.045 20 0 BDADLO C[C@@H]1CCN(C[N@@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000902570842 584636117 /nfs/dbraw/zinc/63/61/17/584636117.db2.gz YBPKNUJRQZGXHT-SNVBAGLBSA-N 1 2 249.314 1.045 20 0 BDADLO CCn1c[nH+]c(CNCc2nnc(C(C)C)[nH]2)c1 ZINC000902577786 584637739 /nfs/dbraw/zinc/63/77/39/584637739.db2.gz HFBXOLVFCDZJQF-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO CCCOCCOC(=O)NCc1[nH+]ccn1C ZINC000859099260 589001401 /nfs/dbraw/zinc/00/14/01/589001401.db2.gz IWBSVJHMLBGLQJ-UHFFFAOYSA-N 1 2 241.291 1.073 20 0 BDADLO CC(=O)c1nn(C)cc1OCc1ccc(N)[nH+]c1 ZINC000902620602 584644794 /nfs/dbraw/zinc/64/47/94/584644794.db2.gz OKRQHUSPFFQTDI-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO COCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622946 584644963 /nfs/dbraw/zinc/64/49/63/584644963.db2.gz LEFAQVWXXQNADX-UHFFFAOYSA-N 1 2 226.251 1.513 20 0 BDADLO CCCOC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000859102552 589001878 /nfs/dbraw/zinc/00/18/78/589001878.db2.gz LAWAHFDJDUBATO-UHFFFAOYSA-N 1 2 223.276 1.554 20 0 BDADLO FCCn1ccc(NCc2[nH+]ccn2C2CC2)n1 ZINC000902634148 584647427 /nfs/dbraw/zinc/64/74/27/584647427.db2.gz AHJQHQPRSSLNBJ-UHFFFAOYSA-N 1 2 249.293 1.996 20 0 BDADLO CCc1onc(C)c1CO[NH+]=C(N)[C@H](C)OC ZINC000902717987 584657972 /nfs/dbraw/zinc/65/79/72/584657972.db2.gz XMQCTJUKBCVWRO-QMMMGPOBSA-N 1 2 241.291 1.579 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)COC(C)C ZINC000902701947 584658530 /nfs/dbraw/zinc/65/85/30/584658530.db2.gz NSKJLUDJSLLVJQ-BJMVGYQFSA-N 1 2 230.308 1.503 20 0 BDADLO CC(C)(C)c1nc(CO[NH+]=C(N)CCO)co1 ZINC000902729018 584661752 /nfs/dbraw/zinc/66/17/52/584661752.db2.gz GTVRSBIDLRAOHT-UHFFFAOYSA-N 1 2 241.291 1.353 20 0 BDADLO Fc1cc(C[NH+]2CCSCC2)ccn1 ZINC000859076448 588997521 /nfs/dbraw/zinc/99/75/21/588997521.db2.gz ILXPCHJODACUQU-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO Cn1c[nH+]c2cc(OCCCO)ccc21 ZINC000902781145 584670103 /nfs/dbraw/zinc/67/01/03/584670103.db2.gz HCLZRRODZPRMAJ-UHFFFAOYSA-N 1 2 206.245 1.335 20 0 BDADLO Cn1c[nH+]c2cc(OCCC3OCCO3)ccc21 ZINC000902781035 584670272 /nfs/dbraw/zinc/67/02/72/584670272.db2.gz CGBDTSKBSCSMHH-UHFFFAOYSA-N 1 2 248.282 1.715 20 0 BDADLO Cn1c[nH+]c2cc(OCCC3(O)CC3)ccc21 ZINC000902781489 584670388 /nfs/dbraw/zinc/67/03/88/584670388.db2.gz WHQNDUOUMGGEBB-UHFFFAOYSA-N 1 2 232.283 1.867 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)c(C)o1 ZINC000902869003 584683435 /nfs/dbraw/zinc/68/34/35/584683435.db2.gz RUXSEZLWMOLXFH-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO C[C@H]1C[C@H](NC(=O)OC2COC2)c2[nH+]ccn21 ZINC000902943870 584696192 /nfs/dbraw/zinc/69/61/92/584696192.db2.gz WATKZDMZBFVWLM-CBAPKCEASA-N 1 2 237.259 1.014 20 0 BDADLO CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](F)C2)CC1 ZINC000902995133 584708702 /nfs/dbraw/zinc/70/87/02/584708702.db2.gz LYUSYFGHMFSWEV-JTQLQIEISA-N 1 2 249.351 1.245 20 0 BDADLO CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](F)C2)CC1 ZINC000902995133 584708704 /nfs/dbraw/zinc/70/87/04/584708704.db2.gz LYUSYFGHMFSWEV-JTQLQIEISA-N 1 2 249.351 1.245 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](F)C2)ncn1 ZINC000902993789 584711406 /nfs/dbraw/zinc/71/14/06/584711406.db2.gz YAJYLVYPHWGOGD-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](F)C2)ncn1 ZINC000902993789 584711408 /nfs/dbraw/zinc/71/14/08/584711408.db2.gz YAJYLVYPHWGOGD-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](F)C2)n1 ZINC000902996871 584714563 /nfs/dbraw/zinc/71/45/63/584714563.db2.gz YDCJLLFFEXBFRE-UWVGGRQHSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@H](F)C2)n1 ZINC000902996871 584714565 /nfs/dbraw/zinc/71/45/65/584714565.db2.gz YDCJLLFFEXBFRE-UWVGGRQHSA-N 1 2 239.294 1.986 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000660 584715359 /nfs/dbraw/zinc/71/53/59/584715359.db2.gz ICWFFYUCFWIFIC-VXGBXAGGSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000660 584715360 /nfs/dbraw/zinc/71/53/60/584715360.db2.gz ICWFFYUCFWIFIC-VXGBXAGGSA-N 1 2 244.354 1.971 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003776 584717118 /nfs/dbraw/zinc/71/71/18/584717118.db2.gz RACAEDLDPMHMIQ-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003776 584717120 /nfs/dbraw/zinc/71/71/20/584717120.db2.gz RACAEDLDPMHMIQ-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO C[NH+]1CC[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316720 584750035 /nfs/dbraw/zinc/75/00/35/584750035.db2.gz QNMNUVMJQCSPDP-RYUDHWBXSA-N 1 2 225.380 1.153 20 0 BDADLO C[NH+]1CC[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316720 584750036 /nfs/dbraw/zinc/75/00/36/584750036.db2.gz QNMNUVMJQCSPDP-RYUDHWBXSA-N 1 2 225.380 1.153 20 0 BDADLO COc1nn(C)cc1CN[C@H](C)c1[nH]cc[nH+]1 ZINC000903338926 584751984 /nfs/dbraw/zinc/75/19/84/584751984.db2.gz VDSZBDFZXIMKKQ-MRVPVSSYSA-N 1 2 235.291 1.003 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000903338926 584751986 /nfs/dbraw/zinc/75/19/86/584751986.db2.gz VDSZBDFZXIMKKQ-MRVPVSSYSA-N 1 2 235.291 1.003 20 0 BDADLO FC(F)(F)Cn1cc[nH+]c1CN1CC=CCN1 ZINC000903489725 584780409 /nfs/dbraw/zinc/78/04/09/584780409.db2.gz ZEGLTKHLDAPXNR-UHFFFAOYSA-N 1 2 246.236 1.322 20 0 BDADLO C[C@@H](c1noc(Cn2cc[nH+]c2)n1)[C@@H]1CCCO1 ZINC000903815417 584800652 /nfs/dbraw/zinc/80/06/52/584800652.db2.gz JRRFTXVCQDEZHI-ZJUUUORDSA-N 1 2 248.286 1.597 20 0 BDADLO CCCCN(O)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000904188565 584848209 /nfs/dbraw/zinc/84/82/09/584848209.db2.gz FANZBFMYXFRMIG-VIFPVBQESA-N 1 2 238.291 1.529 20 0 BDADLO COCCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272230 584858413 /nfs/dbraw/zinc/85/84/13/584858413.db2.gz MXAHTEPLSTYRJC-UHFFFAOYSA-N 1 2 248.286 1.601 20 0 BDADLO CCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904256788 584858813 /nfs/dbraw/zinc/85/88/13/584858813.db2.gz IDIYDGWJZMGEDL-UHFFFAOYSA-N 1 2 218.260 1.975 20 0 BDADLO CCOCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904258936 584859499 /nfs/dbraw/zinc/85/94/99/584859499.db2.gz WENDSGJDPVNAFM-UHFFFAOYSA-N 1 2 248.286 1.601 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000904324844 584865562 /nfs/dbraw/zinc/86/55/62/584865562.db2.gz SZPFUGOQNQWZHR-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000904324844 584865563 /nfs/dbraw/zinc/86/55/63/584865563.db2.gz SZPFUGOQNQWZHR-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO Fc1cccc(Cl)c1C[NH2+][C@@H]1CNOC1 ZINC000904420973 584881953 /nfs/dbraw/zinc/88/19/53/584881953.db2.gz KANSVJBBQPYNGI-SSDOTTSWSA-N 1 2 230.670 1.472 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876562262 584886165 /nfs/dbraw/zinc/88/61/65/584886165.db2.gz XONJNZZRRQUCSO-ZCFIWIBFSA-N 1 2 218.709 1.363 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876562262 584886167 /nfs/dbraw/zinc/88/61/67/584886167.db2.gz XONJNZZRRQUCSO-ZCFIWIBFSA-N 1 2 218.709 1.363 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)OCCF)c2[nH+]ccn21 ZINC000859179815 589014893 /nfs/dbraw/zinc/01/48/93/589014893.db2.gz ARUDRKPGHNKTOL-JGVFFNPUSA-N 1 2 227.239 1.585 20 0 BDADLO CC(C)CCOC(=O)NCCc1cn(C)c[nH+]1 ZINC000859184186 589015679 /nfs/dbraw/zinc/01/56/79/589015679.db2.gz DLBWSDFPOJWESX-UHFFFAOYSA-N 1 2 239.319 1.735 20 0 BDADLO CCn1ccc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000830745443 584908616 /nfs/dbraw/zinc/90/86/16/584908616.db2.gz IQCQDIVRDYPRIH-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO C(c1nnc2n1CCCCC2)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761085482 584909098 /nfs/dbraw/zinc/90/90/98/584909098.db2.gz CAKNBIZJHLTPPW-MNOVXSKESA-N 1 2 232.331 1.599 20 0 BDADLO C(c1nnc2n1CCCCC2)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761085482 584909099 /nfs/dbraw/zinc/90/90/99/584909099.db2.gz CAKNBIZJHLTPPW-MNOVXSKESA-N 1 2 232.331 1.599 20 0 BDADLO OCCCc1cn(-c2nccs2)c[nH+]1 ZINC000732043655 584933172 /nfs/dbraw/zinc/93/31/72/584933172.db2.gz XNMOIQOUIKGJDM-UHFFFAOYSA-N 1 2 209.274 1.254 20 0 BDADLO CCC/C=C\C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732093298 584933889 /nfs/dbraw/zinc/93/38/89/584933889.db2.gz IUJMDPKCOIYHRO-WAYWQWQTSA-N 1 2 207.277 1.724 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000769115829 584956904 /nfs/dbraw/zinc/95/69/04/584956904.db2.gz PYCKHOJLSOEWAZ-ZYHUDNBSSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000769115829 584956905 /nfs/dbraw/zinc/95/69/05/584956905.db2.gz PYCKHOJLSOEWAZ-ZYHUDNBSSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCCS1 ZINC000816946129 584982040 /nfs/dbraw/zinc/98/20/40/584982040.db2.gz ABTADKYQWDGGFI-NSHDSACASA-N 1 2 239.344 1.354 20 0 BDADLO CCCCNC(=S)N[C@@H]1CCn2cc[nH+]c21 ZINC000840773301 584983440 /nfs/dbraw/zinc/98/34/40/584983440.db2.gz ZRCIFWPHQSTDAL-SECBINFHSA-N 1 2 238.360 1.592 20 0 BDADLO CCc1cc(N2C[C@@H](O)C[C@H]2C)nc(C)[nH+]1 ZINC000350703833 584985494 /nfs/dbraw/zinc/98/54/94/584985494.db2.gz VRTODNYDYYQQMV-KCJUWKMLSA-N 1 2 221.304 1.307 20 0 BDADLO Cc1noc([C@@H](C)O[NH+]=C(N)COC(C)C)n1 ZINC000736299186 584996238 /nfs/dbraw/zinc/99/62/38/584996238.db2.gz GZELXXCXACFPGS-SSDOTTSWSA-N 1 2 242.279 1.362 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C1CC1 ZINC000771996211 585011797 /nfs/dbraw/zinc/01/17/97/585011797.db2.gz OXRGHIDUSOVXGV-GHMZBOCLSA-N 1 2 220.272 1.472 20 0 BDADLO CC/C=C(/F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104936 585023533 /nfs/dbraw/zinc/02/35/33/585023533.db2.gz ULAUEROUJXKCHS-RUDMXATFSA-N 1 2 211.240 1.300 20 0 BDADLO Cc1cc(NC(=O)NOCC2CCC2)c(C)c[nH+]1 ZINC000822278683 585026006 /nfs/dbraw/zinc/02/60/06/585026006.db2.gz WVYZTCPZFGSTEU-UHFFFAOYSA-N 1 2 249.314 1.974 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cccnc1 ZINC000788084418 585039068 /nfs/dbraw/zinc/03/90/68/585039068.db2.gz RGOCRGDWESHUHA-LLVKDONJSA-N 1 2 238.262 1.282 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cccnc1 ZINC000788084418 585039069 /nfs/dbraw/zinc/03/90/69/585039069.db2.gz RGOCRGDWESHUHA-LLVKDONJSA-N 1 2 238.262 1.282 20 0 BDADLO CC[N@H+](Cn1nc2ccccn2c1=O)C1CCC1 ZINC000738054433 585040533 /nfs/dbraw/zinc/04/05/33/585040533.db2.gz PJXWVBXAXYIVGN-UHFFFAOYSA-N 1 2 246.314 1.328 20 0 BDADLO CC[N@@H+](Cn1nc2ccccn2c1=O)C1CCC1 ZINC000738054433 585040534 /nfs/dbraw/zinc/04/05/34/585040534.db2.gz PJXWVBXAXYIVGN-UHFFFAOYSA-N 1 2 246.314 1.328 20 0 BDADLO CC[C@](C)(CO)C(=O)OCCCn1cc[nH+]c1 ZINC000838210369 585048563 /nfs/dbraw/zinc/04/85/63/585048563.db2.gz SJERSBYTVCYEKY-GFCCVEGCSA-N 1 2 240.303 1.225 20 0 BDADLO C[C@]1(C(=O)OCCn2cc[nH+]c2)CCCCO1 ZINC000838437330 585058144 /nfs/dbraw/zinc/05/81/44/585058144.db2.gz SLZZZWHCMMPABK-GFCCVEGCSA-N 1 2 238.287 1.386 20 0 BDADLO CC1=CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000838636669 585064160 /nfs/dbraw/zinc/06/41/60/585064160.db2.gz DNUQXLAHVOWMFG-NSHDSACASA-N 1 2 246.314 1.690 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000838781484 585069727 /nfs/dbraw/zinc/06/97/27/585069727.db2.gz ZFJBBWZYBLAPPI-CYBMUJFWSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000838781484 585069728 /nfs/dbraw/zinc/06/97/28/585069728.db2.gz ZFJBBWZYBLAPPI-CYBMUJFWSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000838839181 585073720 /nfs/dbraw/zinc/07/37/20/585073720.db2.gz OOIQOYHCXBLVGN-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000838839181 585073721 /nfs/dbraw/zinc/07/37/21/585073721.db2.gz OOIQOYHCXBLVGN-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)CC1CC1 ZINC000838945973 585080349 /nfs/dbraw/zinc/08/03/49/585080349.db2.gz JIASBFSUJXXKHP-UHFFFAOYSA-N 1 2 234.299 1.991 20 0 BDADLO CCn1ncc(C[NH+]2CC3(C2)CCCC3)n1 ZINC000839106937 585091471 /nfs/dbraw/zinc/09/14/71/585091471.db2.gz QMFIZLZDOJLGMO-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO COCC[N@H+](CCF)Cc1c(C)nn(C)c1C ZINC000839125384 585093174 /nfs/dbraw/zinc/09/31/74/585093174.db2.gz HKBQYZJHQKNMBH-UHFFFAOYSA-N 1 2 243.326 1.455 20 0 BDADLO COCC[N@@H+](CCF)Cc1c(C)nn(C)c1C ZINC000839125384 585093175 /nfs/dbraw/zinc/09/31/75/585093175.db2.gz HKBQYZJHQKNMBH-UHFFFAOYSA-N 1 2 243.326 1.455 20 0 BDADLO Fc1ccc(C[NH+]2CC3(C2)CCCOC3)cn1 ZINC000839137269 585094273 /nfs/dbraw/zinc/09/42/73/585094273.db2.gz CCLCKUMMQVLPGQ-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO FC(F)OC1C[NH+](C[C@@H]2CCC=CO2)C1 ZINC000839142657 585094915 /nfs/dbraw/zinc/09/49/15/585094915.db2.gz CRAJAPZIHAFLBT-QMMMGPOBSA-N 1 2 219.231 1.603 20 0 BDADLO CO[C@@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839360844 585101919 /nfs/dbraw/zinc/10/19/19/585101919.db2.gz QQBPEYNAXHMJBO-VIFPVBQESA-N 1 2 233.271 1.698 20 0 BDADLO CC/C=C(\C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000740727251 585105814 /nfs/dbraw/zinc/10/58/14/585105814.db2.gz JFFGFOXECQOMKM-FIJZOYEMSA-N 1 2 235.331 1.992 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1F)Cn1cnnc1 ZINC000740759420 585106563 /nfs/dbraw/zinc/10/65/63/585106563.db2.gz FPIBYVBUMCPYPB-UHFFFAOYSA-N 1 2 238.241 1.646 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1F)Cn1cnnc1 ZINC000740759420 585106564 /nfs/dbraw/zinc/10/65/64/585106564.db2.gz FPIBYVBUMCPYPB-UHFFFAOYSA-N 1 2 238.241 1.646 20 0 BDADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC000741146590 585110192 /nfs/dbraw/zinc/11/01/92/585110192.db2.gz MYECYDRETSFPJD-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2C)no1 ZINC000741146590 585110193 /nfs/dbraw/zinc/11/01/93/585110193.db2.gz MYECYDRETSFPJD-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000741245251 585111551 /nfs/dbraw/zinc/11/15/51/585111551.db2.gz FNBMVRPWPXVOPM-RYUDHWBXSA-N 1 2 239.315 1.359 20 0 BDADLO CCOC(=O)[C@@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000741245251 585111552 /nfs/dbraw/zinc/11/15/52/585111552.db2.gz FNBMVRPWPXVOPM-RYUDHWBXSA-N 1 2 239.315 1.359 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@H]1CCOC1 ZINC000741785157 585118842 /nfs/dbraw/zinc/11/88/42/585118842.db2.gz NUCIRJWCJXRPMB-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCOC1 ZINC000741785157 585118843 /nfs/dbraw/zinc/11/88/43/585118843.db2.gz NUCIRJWCJXRPMB-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO O=C(C[C@@H]1CCOC1)Nc1cccc2[nH+]ccn21 ZINC000741970293 585121336 /nfs/dbraw/zinc/12/13/36/585121336.db2.gz YFACZDWKZCOMGF-JTQLQIEISA-N 1 2 245.282 1.699 20 0 BDADLO Cc1[nH+]c[nH]c1[C@H]1NC2(CCCC2)C(=O)N1C ZINC000742441730 585126347 /nfs/dbraw/zinc/12/63/47/585126347.db2.gz GFOPYIDWEGLTNL-JTQLQIEISA-N 1 2 234.303 1.091 20 0 BDADLO CCCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745089223 585156061 /nfs/dbraw/zinc/15/60/61/585156061.db2.gz PUHBSMIDBBIENS-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745089223 585156062 /nfs/dbraw/zinc/15/60/62/585156062.db2.gz PUHBSMIDBBIENS-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745084127 585156546 /nfs/dbraw/zinc/15/65/46/585156546.db2.gz HCSDVCXEXGZTAR-VHSXEESVSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745084127 585156547 /nfs/dbraw/zinc/15/65/47/585156547.db2.gz HCSDVCXEXGZTAR-VHSXEESVSA-N 1 2 227.304 1.382 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC1(C)COC1 ZINC000745084871 585156833 /nfs/dbraw/zinc/15/68/33/585156833.db2.gz KEEKHPXCOXEVCU-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCC1(C)COC1 ZINC000745084871 585156834 /nfs/dbraw/zinc/15/68/34/585156834.db2.gz KEEKHPXCOXEVCU-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC1(Cl)Cl ZINC000746121181 585163330 /nfs/dbraw/zinc/16/33/30/585163330.db2.gz VEKBJIHNUUHPRX-SSDOTTSWSA-N 1 2 248.113 1.193 20 0 BDADLO FCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000746495392 585168786 /nfs/dbraw/zinc/16/87/86/585168786.db2.gz MTFGEEZQWPCHHB-UHFFFAOYSA-N 1 2 226.270 1.917 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)Cn1ccsc1=O ZINC000746610929 585170704 /nfs/dbraw/zinc/17/07/04/585170704.db2.gz JMZWMWCSZVKYTR-SNVBAGLBSA-N 1 2 242.344 1.368 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)Cn1ccsc1=O ZINC000746610929 585170705 /nfs/dbraw/zinc/17/07/05/585170705.db2.gz JMZWMWCSZVKYTR-SNVBAGLBSA-N 1 2 242.344 1.368 20 0 BDADLO C[C@@H]1C[C@@H](CO[NH+]=C(N)[C@H]2CCCO2)CCO1 ZINC000789607799 585172944 /nfs/dbraw/zinc/17/29/44/585172944.db2.gz CRFRSFYLJKKHKY-OUAUKWLOSA-N 1 2 242.319 1.479 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1nccs1 ZINC000747065142 585174656 /nfs/dbraw/zinc/17/46/56/585174656.db2.gz SCKUVXMQBDHBSL-SECBINFHSA-N 1 2 240.328 1.671 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1nccs1 ZINC000747065142 585174657 /nfs/dbraw/zinc/17/46/57/585174657.db2.gz SCKUVXMQBDHBSL-SECBINFHSA-N 1 2 240.328 1.671 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000747702183 585182516 /nfs/dbraw/zinc/18/25/16/585182516.db2.gz WUYXFEJVZFCHPQ-LLVKDONJSA-N 1 2 229.320 1.154 20 0 BDADLO CCCSCC(=O)OCc1c[nH+]cn1C ZINC000747785051 585184408 /nfs/dbraw/zinc/18/44/08/585184408.db2.gz ZJGHTRBRDOKTKG-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OC[C@H]1CCOC1 ZINC000747836303 585185013 /nfs/dbraw/zinc/18/50/13/585185013.db2.gz QKGMUCODCOMXPR-MNOVXSKESA-N 1 2 244.335 1.582 20 0 BDADLO OCc1ccc(C[NH2+]Cc2cccc(F)n2)o1 ZINC000747938991 585186199 /nfs/dbraw/zinc/18/61/99/585186199.db2.gz RUBMWWKGIOIZGD-UHFFFAOYSA-N 1 2 236.246 1.596 20 0 BDADLO CC[C@@H](C)NC(=S)NCCCn1cc[nH+]c1 ZINC000749757027 585205330 /nfs/dbraw/zinc/20/53/30/585205330.db2.gz LQMWTCGIJCSYOI-SNVBAGLBSA-N 1 2 240.376 1.536 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2C)Cc2ccccc21 ZINC000750033885 585209717 /nfs/dbraw/zinc/20/97/17/585209717.db2.gz YIKOSPCDQHTFKJ-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)Cc2ccccc21 ZINC000750033885 585209718 /nfs/dbraw/zinc/20/97/18/585209718.db2.gz YIKOSPCDQHTFKJ-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO O=C(OCc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000750309345 585212958 /nfs/dbraw/zinc/21/29/58/585212958.db2.gz NHUJPCLXBIQLJC-UHFFFAOYSA-N 1 2 243.266 1.721 20 0 BDADLO FC(F)C(F)(F)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000750720024 585219015 /nfs/dbraw/zinc/21/90/15/585219015.db2.gz KSRPBDBDQNYCGQ-UHFFFAOYSA-N 1 2 237.200 1.668 20 0 BDADLO FC(F)C(F)(F)C[N@H+]1CCc2c[nH]nc2C1 ZINC000750720024 585219016 /nfs/dbraw/zinc/21/90/16/585219016.db2.gz KSRPBDBDQNYCGQ-UHFFFAOYSA-N 1 2 237.200 1.668 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750746301 585219021 /nfs/dbraw/zinc/21/90/21/585219021.db2.gz IMWWWNKHCHPPHN-JVOXIWMLSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750746301 585219022 /nfs/dbraw/zinc/21/90/22/585219022.db2.gz IMWWWNKHCHPPHN-JVOXIWMLSA-N 1 2 240.347 1.180 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1Cl ZINC000859216089 589020131 /nfs/dbraw/zinc/02/01/31/589020131.db2.gz FAECXNAOKXYMKU-APPZFPTMSA-N 1 2 211.696 1.668 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1Cl ZINC000859216089 589020133 /nfs/dbraw/zinc/02/01/33/589020133.db2.gz FAECXNAOKXYMKU-APPZFPTMSA-N 1 2 211.696 1.668 20 0 BDADLO C/C=C(\C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000751380565 585228766 /nfs/dbraw/zinc/22/87/66/585228766.db2.gz GNQCNBXHLBNMCR-YCRREMRBSA-N 1 2 205.261 1.233 20 0 BDADLO C/C=C(\C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000751385864 585228997 /nfs/dbraw/zinc/22/89/97/585228997.db2.gz HTFUQDHVYZRSTG-KRPLZJQNSA-N 1 2 221.304 1.602 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000752089377 585241953 /nfs/dbraw/zinc/24/19/53/585241953.db2.gz ULMHVNOIBCDMTJ-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000752089377 585241954 /nfs/dbraw/zinc/24/19/54/585241954.db2.gz ULMHVNOIBCDMTJ-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO CCON(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000753340104 585256960 /nfs/dbraw/zinc/25/69/60/585256960.db2.gz PKTRMIGJPWKHHA-UHFFFAOYSA-N 1 2 248.286 1.427 20 0 BDADLO CCC[N@H+](CCC(=O)C(C)(C)C)CC(=O)OC ZINC000753704856 585266500 /nfs/dbraw/zinc/26/65/00/585266500.db2.gz OUEBHUFTYNGUMG-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCC[N@@H+](CCC(=O)C(C)(C)C)CC(=O)OC ZINC000753704856 585266501 /nfs/dbraw/zinc/26/65/01/585266501.db2.gz OUEBHUFTYNGUMG-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H](C)O1 ZINC000754235675 585280619 /nfs/dbraw/zinc/28/06/19/585280619.db2.gz SQUFBYXHIKTJDS-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H](C)O1 ZINC000754235675 585280620 /nfs/dbraw/zinc/28/06/20/585280620.db2.gz SQUFBYXHIKTJDS-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO O=C(/C=C/C1CCOCC1)NCc1c[nH+]c[nH]1 ZINC000754295504 585282350 /nfs/dbraw/zinc/28/23/50/585282350.db2.gz XOMQPNCVWMCHII-OWOJBTEDSA-N 1 2 235.287 1.009 20 0 BDADLO O=C(C=CC1CCOCC1)NCc1c[nH]c[nH+]1 ZINC000754295504 585282351 /nfs/dbraw/zinc/28/23/51/585282351.db2.gz XOMQPNCVWMCHII-OWOJBTEDSA-N 1 2 235.287 1.009 20 0 BDADLO C[C@H](C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000754682165 585289275 /nfs/dbraw/zinc/28/92/75/585289275.db2.gz HITLNNBTLMZKAJ-QMMMGPOBSA-N 1 2 208.261 1.509 20 0 BDADLO CSCCCC(=O)OCc1c[nH+]cn1C ZINC000754686835 585289570 /nfs/dbraw/zinc/28/95/70/585289570.db2.gz MBODIBDKXWHUNF-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO Cc1[nH]c(C(=O)NC2CCC(C)(O)CC2)c[nH+]1 ZINC000754906075 585292276 /nfs/dbraw/zinc/29/22/76/585292276.db2.gz IFWOEKPVSFVQQN-UHFFFAOYSA-N 1 2 237.303 1.142 20 0 BDADLO COC[C@](C)(O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000755772273 585306658 /nfs/dbraw/zinc/30/66/58/585306658.db2.gz WUHDIPUTKINGRB-LBPRGKRZSA-N 1 2 238.287 1.034 20 0 BDADLO Cc1cc[nH+]c(NNC2=CC(=O)CN2)c1 ZINC000755901710 585309800 /nfs/dbraw/zinc/30/98/00/585309800.db2.gz HLZXPEGLZVJKRA-UHFFFAOYSA-N 1 2 204.233 1.161 20 0 BDADLO COC[C@@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000756296024 585317215 /nfs/dbraw/zinc/31/72/15/585317215.db2.gz SCAAKLRGBMZJMB-VIFPVBQESA-N 1 2 226.276 1.136 20 0 BDADLO COCC(C)(C)C(=O)OCc1c[nH+]cn1C ZINC000756567523 585321521 /nfs/dbraw/zinc/32/15/21/585321521.db2.gz RWSBZXAGVUYHDQ-UHFFFAOYSA-N 1 2 226.276 1.136 20 0 BDADLO FC[C@@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000839621605 585332479 /nfs/dbraw/zinc/33/24/79/585332479.db2.gz GYOBGFWZERTGGK-HTQZYQBOSA-N 1 2 242.121 1.851 20 0 BDADLO FC[C@@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000839621605 585332480 /nfs/dbraw/zinc/33/24/80/585332480.db2.gz GYOBGFWZERTGGK-HTQZYQBOSA-N 1 2 242.121 1.851 20 0 BDADLO CON(C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC000757632077 585343508 /nfs/dbraw/zinc/34/35/08/585343508.db2.gz VIEFIZVUUZOQJC-UHFFFAOYSA-N 1 2 237.303 1.606 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)c2cc[nH]n2)c1 ZINC000757687323 585344275 /nfs/dbraw/zinc/34/42/75/585344275.db2.gz GWHBSGMHNYZQJA-UHFFFAOYSA-N 1 2 247.254 1.479 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccccn1)CC(C)C ZINC000757854880 585346189 /nfs/dbraw/zinc/34/61/89/585346189.db2.gz HNAVLVVMXXDFSO-UHFFFAOYSA-N 1 2 236.315 1.713 20 0 BDADLO COC(=O)C[N@H+](Cc1ccccn1)CC(C)C ZINC000757854880 585346190 /nfs/dbraw/zinc/34/61/90/585346190.db2.gz HNAVLVVMXXDFSO-UHFFFAOYSA-N 1 2 236.315 1.713 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+]C1CC(OC)C1 ZINC000758149081 585350854 /nfs/dbraw/zinc/35/08/54/585350854.db2.gz ULWCLMPUIKNTIX-ILDUYXDCSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cocn1 ZINC000758342428 585354417 /nfs/dbraw/zinc/35/44/17/585354417.db2.gz MREYRKSZIPEDFK-LBPRGKRZSA-N 1 2 244.298 1.940 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC[C@@H]1CCCCO1 ZINC000758763691 585359696 /nfs/dbraw/zinc/35/96/96/585359696.db2.gz OWTIIXBXDBFQQD-ZJUUUORDSA-N 1 2 230.308 1.479 20 0 BDADLO CC(C)(C)C1=CC[N@@H+]([C@@H]2CCOC2=O)CC1 ZINC000759261803 585366474 /nfs/dbraw/zinc/36/64/74/585366474.db2.gz BOGFLPPBQWKUMU-LLVKDONJSA-N 1 2 223.316 1.980 20 0 BDADLO CC(C)(C)C1=CC[N@H+]([C@@H]2CCOC2=O)CC1 ZINC000759261803 585366475 /nfs/dbraw/zinc/36/64/75/585366475.db2.gz BOGFLPPBQWKUMU-LLVKDONJSA-N 1 2 223.316 1.980 20 0 BDADLO COc1ccccc1CO[NH+]=C(N)[C@@H](C)OC ZINC000759636321 585377532 /nfs/dbraw/zinc/37/75/32/585377532.db2.gz JRBWSKQOWPYNFT-SECBINFHSA-N 1 2 238.287 1.729 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000759874377 585381907 /nfs/dbraw/zinc/38/19/07/585381907.db2.gz IUXHPXUWPHGEOF-MEBBXXQBSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000759874377 585381908 /nfs/dbraw/zinc/38/19/08/585381908.db2.gz IUXHPXUWPHGEOF-MEBBXXQBSA-N 1 2 231.361 1.199 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000809743816 585384592 /nfs/dbraw/zinc/38/45/92/585384592.db2.gz HGEMAOXTZBYGOT-UHFFFAOYSA-N 1 2 243.270 1.544 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000809743816 585384593 /nfs/dbraw/zinc/38/45/93/585384593.db2.gz HGEMAOXTZBYGOT-UHFFFAOYSA-N 1 2 243.270 1.544 20 0 BDADLO CN(Cc1cccn1C)Cc1[nH]cc[nH+]1 ZINC000760941151 585402190 /nfs/dbraw/zinc/40/21/90/585402190.db2.gz XOZHLBNOZFFGTL-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1nccs1 ZINC000761095198 585408553 /nfs/dbraw/zinc/40/85/53/585408553.db2.gz OJXKENFPLIHPMR-JGVFFNPUSA-N 1 2 223.301 1.176 20 0 BDADLO O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1nccs1 ZINC000761095198 585408554 /nfs/dbraw/zinc/40/85/54/585408554.db2.gz OJXKENFPLIHPMR-JGVFFNPUSA-N 1 2 223.301 1.176 20 0 BDADLO O=C1OCC[C@@H]1CC[N@H+]1CCC[C@H]1C(F)F ZINC000761118948 585410577 /nfs/dbraw/zinc/41/05/77/585410577.db2.gz QHCYPNLIDNVNPE-IUCAKERBSA-N 1 2 233.258 1.669 20 0 BDADLO O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000761118948 585410578 /nfs/dbraw/zinc/41/05/78/585410578.db2.gz QHCYPNLIDNVNPE-IUCAKERBSA-N 1 2 233.258 1.669 20 0 BDADLO CCc1c[nH]c(SCC[NH+]2CCOCC2)n1 ZINC000761876426 585421740 /nfs/dbraw/zinc/42/17/40/585421740.db2.gz OLBMHGHDTPOUCA-UHFFFAOYSA-N 1 2 241.360 1.396 20 0 BDADLO C[C@@H]1[N@H+](Cn2cc[nH]c2=S)CCOC1(C)C ZINC000763210609 585444605 /nfs/dbraw/zinc/44/46/05/585444605.db2.gz HKLMZHPDICQEEV-VIFPVBQESA-N 1 2 241.360 1.629 20 0 BDADLO C[C@@H]1[N@@H+](Cn2cc[nH]c2=S)CCOC1(C)C ZINC000763210609 585444606 /nfs/dbraw/zinc/44/46/06/585444606.db2.gz HKLMZHPDICQEEV-VIFPVBQESA-N 1 2 241.360 1.629 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000763626641 585450916 /nfs/dbraw/zinc/45/09/16/585450916.db2.gz COOSXBBNFIRVDM-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC(C)(C)[C@H]1C ZINC000763626641 585450917 /nfs/dbraw/zinc/45/09/17/585450917.db2.gz COOSXBBNFIRVDM-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCN(CCOC)C(=O)c1cccc2[nH+]ccn21 ZINC000763696556 585452671 /nfs/dbraw/zinc/45/26/71/585452671.db2.gz OCJMYBXZCRDJQW-UHFFFAOYSA-N 1 2 247.298 1.443 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccnn1CC1CC1 ZINC000763784404 585454521 /nfs/dbraw/zinc/45/45/21/585454521.db2.gz GMGOCQWXMCFHOA-UHFFFAOYSA-N 1 2 245.286 1.128 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000763877353 585455891 /nfs/dbraw/zinc/45/58/91/585455891.db2.gz YEWYRVVQAODTRC-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO CC[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763877353 585455892 /nfs/dbraw/zinc/45/58/92/585455892.db2.gz YEWYRVVQAODTRC-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](F)C(F)(F)F ZINC000764508177 585467012 /nfs/dbraw/zinc/46/70/12/585467012.db2.gz QHZNIEBJBOCHQD-NKWVEPMBSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@@H](CC[NH+](C)C)NC(=O)C(F)C(F)(F)F ZINC000764508177 585467013 /nfs/dbraw/zinc/46/70/13/585467013.db2.gz QHZNIEBJBOCHQD-NKWVEPMBSA-N 1 2 244.232 1.343 20 0 BDADLO CON(C)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000765001374 585479144 /nfs/dbraw/zinc/47/91/44/585479144.db2.gz NOWRFFJVJHAJFK-UHFFFAOYSA-N 1 2 225.679 1.981 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@H](C)[C@@H]2C)C1 ZINC000765100003 585481086 /nfs/dbraw/zinc/48/10/86/585481086.db2.gz OACZFTYYAZOJIM-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCO[C@H](C)[C@@H]2C)C1 ZINC000765100003 585481087 /nfs/dbraw/zinc/48/10/87/585481087.db2.gz OACZFTYYAZOJIM-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)C1CC1 ZINC000887373378 585501297 /nfs/dbraw/zinc/50/12/97/585501297.db2.gz CXKVDTVQSKHSEF-UHFFFAOYSA-N 1 2 235.331 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC(C)(C)C1CC1 ZINC000887373378 585501298 /nfs/dbraw/zinc/50/12/98/585501298.db2.gz CXKVDTVQSKHSEF-UHFFFAOYSA-N 1 2 235.331 1.813 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2ccon2)c(C)n1 ZINC000766420324 585502022 /nfs/dbraw/zinc/50/20/22/585502022.db2.gz PBPVRPMSUBKIJM-MRVPVSSYSA-N 1 2 232.287 1.932 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCC(=O)C1CC1 ZINC000767396240 585519121 /nfs/dbraw/zinc/51/91/21/585519121.db2.gz NYUXUAFYTXDFPS-XIZWVBILSA-N 1 2 243.372 1.197 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCC(=O)C1CC1 ZINC000767396240 585519122 /nfs/dbraw/zinc/51/91/22/585519122.db2.gz NYUXUAFYTXDFPS-XIZWVBILSA-N 1 2 243.372 1.197 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)C1CC1 ZINC000767761950 585525856 /nfs/dbraw/zinc/52/58/56/585525856.db2.gz TXRWIAJJHWLNRH-NSHDSACASA-N 1 2 248.330 1.321 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)C1CC1 ZINC000767761950 585525857 /nfs/dbraw/zinc/52/58/57/585525857.db2.gz TXRWIAJJHWLNRH-NSHDSACASA-N 1 2 248.330 1.321 20 0 BDADLO CCOC(C[NH2+][C@@H](C)c1nc(C)no1)OCC ZINC000767849335 585527074 /nfs/dbraw/zinc/52/70/74/585527074.db2.gz ITSUSBFSOUGRDF-QMMMGPOBSA-N 1 2 243.307 1.428 20 0 BDADLO CCOC(C[NH2+][C@@H](C)c1nnc(C)o1)OCC ZINC000767847793 585527086 /nfs/dbraw/zinc/52/70/86/585527086.db2.gz AFBKDEXRNAMQJS-QMMMGPOBSA-N 1 2 243.307 1.428 20 0 BDADLO O=C1C[N@H+](Cc2cncc3ccccc32)CCN1 ZINC000768161303 585533036 /nfs/dbraw/zinc/53/30/36/585533036.db2.gz WXDPUJJFPNSLOE-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2cncc3ccccc32)CCN1 ZINC000768161303 585533037 /nfs/dbraw/zinc/53/30/37/585533037.db2.gz WXDPUJJFPNSLOE-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO CC(C)(F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000768406419 585538267 /nfs/dbraw/zinc/53/82/67/585538267.db2.gz HPJXHOFCRMYNAQ-UHFFFAOYSA-N 1 2 211.240 1.015 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC(c2cccnc2)CC1 ZINC000768755880 585542512 /nfs/dbraw/zinc/54/25/12/585542512.db2.gz YTXIRLSIJSCUIG-ZDUSSCGKSA-N 1 2 246.310 1.577 20 0 BDADLO CS/C=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000768930430 585546093 /nfs/dbraw/zinc/54/60/93/585546093.db2.gz SVBGKECPVSUBJL-WTKPLQERSA-N 1 2 239.344 1.608 20 0 BDADLO C/C=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000768930117 585546179 /nfs/dbraw/zinc/54/61/79/585546179.db2.gz RXSNAUHQGQBLDA-HYXAFXHYSA-N 1 2 207.277 1.308 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000769445609 585556882 /nfs/dbraw/zinc/55/68/82/585556882.db2.gz IKKYQZZLNCXRQO-LLVKDONJSA-N 1 2 249.289 1.694 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000769445609 585556883 /nfs/dbraw/zinc/55/68/83/585556883.db2.gz IKKYQZZLNCXRQO-LLVKDONJSA-N 1 2 249.289 1.694 20 0 BDADLO Cc1nc(NC[C@H](O)c2ccccn2)cc[nH+]1 ZINC000770129680 585571161 /nfs/dbraw/zinc/57/11/61/585571161.db2.gz VMRNRZCBRRCJRD-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCc2ncccc21 ZINC000770318571 585572869 /nfs/dbraw/zinc/57/28/69/585572869.db2.gz NOLBMGGZFTWPPI-UHFFFAOYSA-N 1 2 242.282 1.258 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c(C)o1 ZINC000770351126 585573233 /nfs/dbraw/zinc/57/32/33/585573233.db2.gz JCSQFWHPYHUXKW-NOZJJQNGSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c(C)o1 ZINC000770351126 585573234 /nfs/dbraw/zinc/57/32/34/585573234.db2.gz JCSQFWHPYHUXKW-NOZJJQNGSA-N 1 2 239.315 1.478 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1=COCCC1 ZINC000805448497 585599404 /nfs/dbraw/zinc/59/94/04/585599404.db2.gz OGFLQQWWENABLA-UHFFFAOYSA-N 1 2 249.266 1.828 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc(Cl)o1 ZINC000771890421 585603801 /nfs/dbraw/zinc/60/38/01/585603801.db2.gz DTRGSIXKFUKFQN-UHFFFAOYSA-N 1 2 240.646 1.987 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771920605 585604663 /nfs/dbraw/zinc/60/46/63/585604663.db2.gz JHYCIPWJTFRDCO-NSHDSACASA-N 1 2 240.303 1.487 20 0 BDADLO CCO[C@H](CC)C(=O)OCCn1cc[nH+]c1 ZINC000771931903 585604983 /nfs/dbraw/zinc/60/49/83/585604983.db2.gz BXHPLXWNFVCMJU-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO O=C(N1CC[NH+](C2CC2)CC1)C1(F)CCCC1 ZINC000771968163 585605681 /nfs/dbraw/zinc/60/56/81/585605681.db2.gz WWKISDVTBRQFKJ-UHFFFAOYSA-N 1 2 240.322 1.575 20 0 BDADLO O=C(/C=C/C1CC1)OCCn1cc[nH+]c1 ZINC000771982658 585606082 /nfs/dbraw/zinc/60/60/82/585606082.db2.gz XPUWJRJJBRQGOM-ONEGZZNKSA-N 1 2 206.245 1.393 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC12CCC2 ZINC000772005921 585606582 /nfs/dbraw/zinc/60/65/82/585606582.db2.gz XQZMMZBNMQXJGZ-JTQLQIEISA-N 1 2 220.272 1.617 20 0 BDADLO Cc1ccc(COC(=O)c2cc[nH]n2)c(C)[nH+]1 ZINC000771999946 585606764 /nfs/dbraw/zinc/60/67/64/585606764.db2.gz KAXQOGNQVWIZOW-UHFFFAOYSA-N 1 2 231.255 1.779 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000772021415 585607075 /nfs/dbraw/zinc/60/70/75/585607075.db2.gz CRNMBMMWJVDLJE-UHFFFAOYSA-N 1 2 234.299 1.863 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000772504937 585616880 /nfs/dbraw/zinc/61/68/80/585616880.db2.gz PUPVGAIFXGCTBP-NWDGAFQWSA-N 1 2 241.331 1.154 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCC2CCCC2)C1 ZINC000805468215 585620241 /nfs/dbraw/zinc/62/02/41/585620241.db2.gz DDOMMBZPQLPDBK-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCC2CCCC2)C1 ZINC000805468215 585620242 /nfs/dbraw/zinc/62/02/42/585620242.db2.gz DDOMMBZPQLPDBK-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CCOCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000772893475 585626693 /nfs/dbraw/zinc/62/66/93/585626693.db2.gz XYPLFGWAFCCMNQ-UHFFFAOYSA-N 1 2 247.298 1.443 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC2CC2)C1 ZINC000805474632 585627223 /nfs/dbraw/zinc/62/72/23/585627223.db2.gz RCOVFUOWZJEQCO-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCC2CC2)C1 ZINC000805474632 585627224 /nfs/dbraw/zinc/62/72/24/585627224.db2.gz RCOVFUOWZJEQCO-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)COC1(C)CCC1 ZINC000773061073 585630317 /nfs/dbraw/zinc/63/03/17/585630317.db2.gz VCPMDPXQEJJDGZ-UHFFFAOYSA-N 1 2 248.326 1.964 20 0 BDADLO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ncn(C)n1 ZINC000773145830 585632415 /nfs/dbraw/zinc/63/24/15/585632415.db2.gz NAGBAVCXRILWFP-CYBMUJFWSA-N 1 2 242.326 1.901 20 0 BDADLO CC[C@@H](CSC)[N@H+](C)Cn1ccsc1=O ZINC000773254949 585634458 /nfs/dbraw/zinc/63/44/58/585634458.db2.gz JTECUOQKGKIJMH-VIFPVBQESA-N 1 2 246.401 1.941 20 0 BDADLO CC[C@@H](CSC)[N@@H+](C)Cn1ccsc1=O ZINC000773254949 585634459 /nfs/dbraw/zinc/63/44/59/585634459.db2.gz JTECUOQKGKIJMH-VIFPVBQESA-N 1 2 246.401 1.941 20 0 BDADLO CC[C@H](SC)C(=O)NOC1CC[NH+](C)CC1 ZINC000773543228 585640027 /nfs/dbraw/zinc/64/00/27/585640027.db2.gz VBAYOLOAXMTQND-JTQLQIEISA-N 1 2 246.376 1.270 20 0 BDADLO CCC/C=C\C(=O)NCCc1c[nH+]cn1C ZINC000773854704 585644899 /nfs/dbraw/zinc/64/48/99/585644899.db2.gz WYVANMNLFYGPIG-WAYWQWQTSA-N 1 2 221.304 1.435 20 0 BDADLO CC(C)=C(C)C(=O)NCCc1c[nH+]cn1C ZINC000773852595 585644901 /nfs/dbraw/zinc/64/49/01/585644901.db2.gz MKGBRUQVPYWKDR-UHFFFAOYSA-N 1 2 221.304 1.435 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cncs1 ZINC000774288298 585655787 /nfs/dbraw/zinc/65/57/87/585655787.db2.gz MBBHORXQDBEQIO-SNVBAGLBSA-N 1 2 240.328 1.671 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cncs1 ZINC000774288298 585655788 /nfs/dbraw/zinc/65/57/88/585655788.db2.gz MBBHORXQDBEQIO-SNVBAGLBSA-N 1 2 240.328 1.671 20 0 BDADLO C[C@H](C(=O)OCCC1CC1)[NH+]1CCSCC1 ZINC000774977968 585670187 /nfs/dbraw/zinc/67/01/87/585670187.db2.gz CJULHCOYVZLNEE-SNVBAGLBSA-N 1 2 243.372 1.767 20 0 BDADLO CC[C@](C)([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000775391615 585677201 /nfs/dbraw/zinc/67/72/01/585677201.db2.gz VHCGECFNNSYJSK-ZDUSSCGKSA-N 1 2 246.314 1.925 20 0 BDADLO Cc1n[nH]nc1C(=O)OCc1ccc(C)[nH+]c1C ZINC000805546552 585679364 /nfs/dbraw/zinc/67/93/64/585679364.db2.gz OAXZJUYSDWYPEX-UHFFFAOYSA-N 1 2 246.270 1.482 20 0 BDADLO Cc1cc(=O)[nH]c(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000775570501 585680540 /nfs/dbraw/zinc/68/05/40/585680540.db2.gz ZRJLDVQRZLYOMM-JTQLQIEISA-N 1 2 237.303 1.101 20 0 BDADLO Cc1cc(=O)[nH]c(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000775570501 585680541 /nfs/dbraw/zinc/68/05/41/585680541.db2.gz ZRJLDVQRZLYOMM-JTQLQIEISA-N 1 2 237.303 1.101 20 0 BDADLO C[C@H]1C[C@H](C(=O)OCCn2cc[nH+]c2)CCO1 ZINC000776412543 585697868 /nfs/dbraw/zinc/69/78/68/585697868.db2.gz IKLBUCZUTXDKDN-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)nc1)Cn1cnnc1 ZINC000776757026 585704472 /nfs/dbraw/zinc/70/44/72/585704472.db2.gz XJIINXAWZFOXTA-UHFFFAOYSA-N 1 2 237.694 1.416 20 0 BDADLO C[N@H+](Cc1ccc(Cl)nc1)Cn1cnnc1 ZINC000776757026 585704473 /nfs/dbraw/zinc/70/44/73/585704473.db2.gz XJIINXAWZFOXTA-UHFFFAOYSA-N 1 2 237.694 1.416 20 0 BDADLO c1nncn1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000776759674 585704669 /nfs/dbraw/zinc/70/46/69/585704669.db2.gz BXNLWTLBEULUOD-CYBMUJFWSA-N 1 2 244.298 1.309 20 0 BDADLO c1nncn1C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000776759674 585704670 /nfs/dbraw/zinc/70/46/70/585704670.db2.gz BXNLWTLBEULUOD-CYBMUJFWSA-N 1 2 244.298 1.309 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C(C)(Cl)Cl ZINC000777322215 585710270 /nfs/dbraw/zinc/71/02/70/585710270.db2.gz GTPDCGDILRDXAT-UHFFFAOYSA-N 1 2 237.086 1.657 20 0 BDADLO C[C@H]1CN(C(=O)C(C)(Cl)Cl)CC[N@@H+]1C ZINC000777523194 585713963 /nfs/dbraw/zinc/71/39/63/585713963.db2.gz IULKASIELWOIGX-ZETCQYMHSA-N 1 2 239.146 1.343 20 0 BDADLO C[C@H]1CN(C(=O)C(C)(Cl)Cl)CC[N@H+]1C ZINC000777523194 585713964 /nfs/dbraw/zinc/71/39/64/585713964.db2.gz IULKASIELWOIGX-ZETCQYMHSA-N 1 2 239.146 1.343 20 0 BDADLO CC(C)[C@H]1C[N@H+](CN2C[C@@H](C)CC2=O)CCO1 ZINC000777969898 585724917 /nfs/dbraw/zinc/72/49/17/585724917.db2.gz VSAQUTKIZGRMTG-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CN2C[C@@H](C)CC2=O)CCO1 ZINC000777969898 585724918 /nfs/dbraw/zinc/72/49/18/585724918.db2.gz VSAQUTKIZGRMTG-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO CC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000778262522 585730280 /nfs/dbraw/zinc/73/02/80/585730280.db2.gz KNXPSUFXUJSDFR-GFCCVEGCSA-N 1 2 240.347 1.154 20 0 BDADLO CC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000778262522 585730281 /nfs/dbraw/zinc/73/02/81/585730281.db2.gz KNXPSUFXUJSDFR-GFCCVEGCSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094598 585745306 /nfs/dbraw/zinc/74/53/06/585745306.db2.gz DBCBSXYARSDDRN-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CCC/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779215846 585747367 /nfs/dbraw/zinc/74/73/67/585747367.db2.gz QKEIAFHLURSPDW-DOGVGXBMSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1cnc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)c1 ZINC000780494125 585779472 /nfs/dbraw/zinc/77/94/72/585779472.db2.gz FNFHYNMPJHSYMC-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H]2CCC=CO2)[nH+]1 ZINC000780621415 585782439 /nfs/dbraw/zinc/78/24/39/585782439.db2.gz FWFZYSNZMJSYEY-SNVBAGLBSA-N 1 2 249.318 1.351 20 0 BDADLO Cc1nc(NC[C@H]2CCC=CO2)nc(N(C)C)[nH+]1 ZINC000780621415 585782440 /nfs/dbraw/zinc/78/24/40/585782440.db2.gz FWFZYSNZMJSYEY-SNVBAGLBSA-N 1 2 249.318 1.351 20 0 BDADLO C[C@]1(C(=O)OCCn2cc[nH+]c2)CCCOC1 ZINC000781285495 585794336 /nfs/dbraw/zinc/79/43/36/585794336.db2.gz WCUWNHNMZLPCAZ-LBPRGKRZSA-N 1 2 238.287 1.243 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)c2ccccc2)CCO1 ZINC000782175135 585809799 /nfs/dbraw/zinc/80/97/99/585809799.db2.gz CYSGHSSXDULBQA-GFCCVEGCSA-N 1 2 249.310 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)c2ccccc2)CCO1 ZINC000782175135 585809800 /nfs/dbraw/zinc/80/98/00/585809800.db2.gz CYSGHSSXDULBQA-GFCCVEGCSA-N 1 2 249.310 1.564 20 0 BDADLO Cc1cccc(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000782306266 585814546 /nfs/dbraw/zinc/81/45/46/585814546.db2.gz PCOAVLKZPVDFBL-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO CO[C@H](C)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000782335500 585815512 /nfs/dbraw/zinc/81/55/12/585815512.db2.gz CLHWCHFFKPWBFV-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@H](C)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000782335500 585815513 /nfs/dbraw/zinc/81/55/13/585815513.db2.gz CLHWCHFFKPWBFV-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@@H](C)CCC(=O)OCCn1cc[nH+]c1 ZINC000782431128 585818150 /nfs/dbraw/zinc/81/81/50/585818150.db2.gz HHGMZHZLUNBLOS-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000782579480 585820379 /nfs/dbraw/zinc/82/03/79/585820379.db2.gz QGMKQUTXUMCSRS-NSHDSACASA-N 1 2 243.347 1.278 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000782579480 585820380 /nfs/dbraw/zinc/82/03/80/585820380.db2.gz QGMKQUTXUMCSRS-NSHDSACASA-N 1 2 243.347 1.278 20 0 BDADLO CCC/C=C/C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782822202 585824682 /nfs/dbraw/zinc/82/46/82/585824682.db2.gz JXPJHBBCZSYGBG-AATRIKPKSA-N 1 2 233.315 1.890 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)C(C)(C)C)CC2 ZINC000782822587 585824745 /nfs/dbraw/zinc/82/47/45/585824745.db2.gz LRTWCGPJOHXSOT-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO Cc1nccc(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000783064650 585827496 /nfs/dbraw/zinc/82/74/96/585827496.db2.gz UMWUUCFDRKYOSN-UHFFFAOYSA-N 1 2 246.270 1.229 20 0 BDADLO CO[C@@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000783337661 585833955 /nfs/dbraw/zinc/83/39/55/585833955.db2.gz PEQRVCFPOQWDFJ-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)C1 ZINC000783547014 585836484 /nfs/dbraw/zinc/83/64/84/585836484.db2.gz ZKSLBPJPUJRWMA-KXNHARMFSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)C1 ZINC000783547014 585836485 /nfs/dbraw/zinc/83/64/85/585836485.db2.gz ZKSLBPJPUJRWMA-KXNHARMFSA-N 1 2 240.347 1.310 20 0 BDADLO NC(C[NH+]1CCSCC1)=NOCCC1CC1 ZINC000783568320 585837311 /nfs/dbraw/zinc/83/73/11/585837311.db2.gz QNCBBPMJHRSMOC-UHFFFAOYSA-N 1 2 243.376 1.334 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cccc(F)n1 ZINC000783573557 585837328 /nfs/dbraw/zinc/83/73/28/585837328.db2.gz IFHMLSIWZFFPJF-UHFFFAOYSA-N 1 2 247.229 1.877 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1C ZINC000783730190 585840717 /nfs/dbraw/zinc/84/07/17/585840717.db2.gz RTAPJIWDJTUBGW-ZDUSSCGKSA-N 1 2 246.354 1.966 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1C ZINC000783730190 585840718 /nfs/dbraw/zinc/84/07/18/585840718.db2.gz RTAPJIWDJTUBGW-ZDUSSCGKSA-N 1 2 246.354 1.966 20 0 BDADLO C[N@H+](Cc1coc(C2CC2)n1)CC1(CO)CC1 ZINC000783735028 585841077 /nfs/dbraw/zinc/84/10/77/585841077.db2.gz YAWKNPYEBHRNJG-UHFFFAOYSA-N 1 2 236.315 1.756 20 0 BDADLO C[N@@H+](Cc1coc(C2CC2)n1)CC1(CO)CC1 ZINC000783735028 585841078 /nfs/dbraw/zinc/84/10/78/585841078.db2.gz YAWKNPYEBHRNJG-UHFFFAOYSA-N 1 2 236.315 1.756 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC000805755945 585849665 /nfs/dbraw/zinc/84/96/65/585849665.db2.gz NOLUSWMGKPSLPI-JTQLQIEISA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC000805755945 585849666 /nfs/dbraw/zinc/84/96/66/585849666.db2.gz NOLUSWMGKPSLPI-JTQLQIEISA-N 1 2 235.274 1.521 20 0 BDADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC(F)C1 ZINC000784187409 585852569 /nfs/dbraw/zinc/85/25/69/585852569.db2.gz NSUJWGGYKQSZCG-UHFFFAOYSA-N 1 2 249.293 1.739 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOC[C@H](C)C2)s1 ZINC000784204247 585852731 /nfs/dbraw/zinc/85/27/31/585852731.db2.gz IIWIILLLIBAPES-SECBINFHSA-N 1 2 241.360 1.569 20 0 BDADLO CCc1nnc(C[N@H+]2CCOC[C@H](C)C2)s1 ZINC000784204247 585852732 /nfs/dbraw/zinc/85/27/32/585852732.db2.gz IIWIILLLIBAPES-SECBINFHSA-N 1 2 241.360 1.569 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCCCO1 ZINC000784285522 585854536 /nfs/dbraw/zinc/85/45/36/585854536.db2.gz ASECQPVWDLAPMA-LLVKDONJSA-N 1 2 238.287 1.386 20 0 BDADLO Cc1ccn(C)c1C(=O)OCCn1cc[nH+]c1 ZINC000784295371 585854883 /nfs/dbraw/zinc/85/48/83/585854883.db2.gz XEHFABMEESKZML-UHFFFAOYSA-N 1 2 233.271 1.387 20 0 BDADLO CS[C@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000784385953 585857971 /nfs/dbraw/zinc/85/79/71/585857971.db2.gz MNDSRZSJBNUXOT-SNVBAGLBSA-N 1 2 242.344 1.958 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000784495900 585861297 /nfs/dbraw/zinc/86/12/97/585861297.db2.gz WCAQDUQPWFXXNQ-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO COCC1(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000784584314 585863836 /nfs/dbraw/zinc/86/38/36/585863836.db2.gz FVIQZLICUODQFW-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO Cc1cncc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000785489081 585874581 /nfs/dbraw/zinc/87/45/81/585874581.db2.gz XFLXQHSOQKCZNZ-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cncc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000785489081 585874582 /nfs/dbraw/zinc/87/45/82/585874582.db2.gz XFLXQHSOQKCZNZ-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO O=c1c2ccc[nH]c-2cn1C[N@H+]1CC=CCC1 ZINC000785507378 585874919 /nfs/dbraw/zinc/87/49/19/585874919.db2.gz MJSHDZSFCXRRMZ-UHFFFAOYSA-N 1 2 229.283 1.257 20 0 BDADLO O=c1c2ccc[nH]c-2cn1C[N@@H+]1CC=CCC1 ZINC000785507378 585874920 /nfs/dbraw/zinc/87/49/20/585874920.db2.gz MJSHDZSFCXRRMZ-UHFFFAOYSA-N 1 2 229.283 1.257 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCC[C@H]1CCCO1 ZINC000786749516 585897109 /nfs/dbraw/zinc/89/71/09/585897109.db2.gz ZAMFYBYWODJKNC-SNVBAGLBSA-N 1 2 244.335 1.869 20 0 BDADLO CC(C)n1cc(C(=O)OCc2c[nH+]cn2C)cn1 ZINC000786953302 585898978 /nfs/dbraw/zinc/89/89/78/585898978.db2.gz IZFFVWXORCCMPG-UHFFFAOYSA-N 1 2 248.286 1.555 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCC=CO1 ZINC000787034715 585900047 /nfs/dbraw/zinc/90/00/47/585900047.db2.gz MTIJDBHDCSFTTL-LLVKDONJSA-N 1 2 236.271 1.509 20 0 BDADLO CC1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000788194728 585919161 /nfs/dbraw/zinc/91/91/61/585919161.db2.gz AWQHSABSJWURJO-UHFFFAOYSA-N 1 2 242.282 1.359 20 0 BDADLO CCCn1cc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000788662459 585928611 /nfs/dbraw/zinc/92/86/11/585928611.db2.gz YTACCUNPAFEINY-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO CCCn1cc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000788662459 585928612 /nfs/dbraw/zinc/92/86/12/585928612.db2.gz YTACCUNPAFEINY-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000789577088 585944437 /nfs/dbraw/zinc/94/44/37/585944437.db2.gz MUYSWIOBOGQYQC-WOPDTQHZSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)(C)OCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613001 585946491 /nfs/dbraw/zinc/94/64/91/585946491.db2.gz SMFGATHBVZSVHX-SNVBAGLBSA-N 1 2 244.335 1.869 20 0 BDADLO CC[C@@H](C)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789612797 585946523 /nfs/dbraw/zinc/94/65/23/585946523.db2.gz VLKBYOIXXGUICP-RKDXNWHRSA-N 1 2 200.282 1.710 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CCc1ccco1 ZINC000789773097 585949838 /nfs/dbraw/zinc/94/98/38/585949838.db2.gz SRODVXHGWJRSHX-UHFFFAOYSA-N 1 2 248.282 1.732 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791748866 585987353 /nfs/dbraw/zinc/98/73/53/585987353.db2.gz JHMWTBFGZGUDKU-VHSXEESVSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1[nH]ccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791997312 585993071 /nfs/dbraw/zinc/99/30/71/585993071.db2.gz WREDRRYVAQHUDL-UHFFFAOYSA-N 1 2 231.255 1.657 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CCCCO2)cc[nH+]1 ZINC000792041714 585994554 /nfs/dbraw/zinc/99/45/54/585994554.db2.gz QACBRDBOFWSJNW-SNVBAGLBSA-N 1 2 236.271 1.276 20 0 BDADLO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000792198777 585997358 /nfs/dbraw/zinc/99/73/58/585997358.db2.gz CAZBIEGUBQLYRX-ONGXEEELSA-N 1 2 237.303 1.149 20 0 BDADLO CO[C@@H](C(=O)OCc1cc[nH+]c(N)c1)C1CC1 ZINC000792271029 585998614 /nfs/dbraw/zinc/99/86/14/585998614.db2.gz GFQJSBKTLRANAX-LLVKDONJSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC000792294084 585999081 /nfs/dbraw/zinc/99/90/81/585999081.db2.gz FKEOTRRYRHVOOM-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccnc(C[N@H+]2CCC[C@]23CCOC3=O)c1 ZINC000792294084 585999082 /nfs/dbraw/zinc/99/90/82/585999082.db2.gz FKEOTRRYRHVOOM-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1nc(C(=O)OCc2cc[nH+]c(N)c2)co1 ZINC000792296268 585999491 /nfs/dbraw/zinc/99/94/91/585999491.db2.gz ZVYBZXQKQSPKMJ-UHFFFAOYSA-N 1 2 233.227 1.317 20 0 BDADLO Cn1cc([C@@H]2CSCC[N@@H+]2CCF)cn1 ZINC000792418972 586000658 /nfs/dbraw/zinc/00/06/58/586000658.db2.gz PTVKFDOBVZWJCJ-JTQLQIEISA-N 1 2 229.324 1.480 20 0 BDADLO Cn1cc([C@@H]2CSCC[N@H+]2CCF)cn1 ZINC000792418972 586000659 /nfs/dbraw/zinc/00/06/59/586000659.db2.gz PTVKFDOBVZWJCJ-JTQLQIEISA-N 1 2 229.324 1.480 20 0 BDADLO Cc1oncc1C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000792475037 586000791 /nfs/dbraw/zinc/00/07/91/586000791.db2.gz SMBDRGNSAQNKEB-SSDOTTSWSA-N 1 2 248.290 1.155 20 0 BDADLO C[N@H+](CC(C)(C)S(C)(=O)=O)CC1(F)CC1 ZINC000792831176 586005512 /nfs/dbraw/zinc/00/55/12/586005512.db2.gz JUZRPJUIPMQSOF-UHFFFAOYSA-N 1 2 237.340 1.244 20 0 BDADLO C[N@@H+](CC(C)(C)S(C)(=O)=O)CC1(F)CC1 ZINC000792831176 586005513 /nfs/dbraw/zinc/00/55/13/586005513.db2.gz JUZRPJUIPMQSOF-UHFFFAOYSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000793021492 586008660 /nfs/dbraw/zinc/00/86/60/586008660.db2.gz PABOGMCXDKCEQT-SNVBAGLBSA-N 1 2 247.298 1.683 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000793021492 586008661 /nfs/dbraw/zinc/00/86/61/586008661.db2.gz PABOGMCXDKCEQT-SNVBAGLBSA-N 1 2 247.298 1.683 20 0 BDADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)ccn1 ZINC000793251289 586014989 /nfs/dbraw/zinc/01/49/89/586014989.db2.gz PPAMBFWHGQSLLH-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO CO[C@@H](C(=O)OCCc1c[nH+]cn1C)C(C)C ZINC000793252161 586015079 /nfs/dbraw/zinc/01/50/79/586015079.db2.gz WVQBBSWAHYEWJV-LLVKDONJSA-N 1 2 240.303 1.177 20 0 BDADLO CCc1cc(C(=O)OCCc2c[nH+]cn2C)n[nH]1 ZINC000793256471 586015402 /nfs/dbraw/zinc/01/54/02/586015402.db2.gz ARPOMYBTBMFDOG-UHFFFAOYSA-N 1 2 248.286 1.105 20 0 BDADLO Cc1cnc(=S)n(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000793612254 586024117 /nfs/dbraw/zinc/02/41/17/586024117.db2.gz FZJIJCGJZPXVKR-ZJUUUORDSA-N 1 2 237.328 1.352 20 0 BDADLO Cc1cnc(=S)n(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000793612254 586024118 /nfs/dbraw/zinc/02/41/18/586024118.db2.gz FZJIJCGJZPXVKR-ZJUUUORDSA-N 1 2 237.328 1.352 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NOC1CCCCC1 ZINC000793888033 586028519 /nfs/dbraw/zinc/02/85/19/586028519.db2.gz XHBKXTVSHLQCFZ-UHFFFAOYSA-N 1 2 237.303 1.723 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NOC1CCCCC1 ZINC000793888033 586028520 /nfs/dbraw/zinc/02/85/20/586028520.db2.gz XHBKXTVSHLQCFZ-UHFFFAOYSA-N 1 2 237.303 1.723 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC000794410729 586039123 /nfs/dbraw/zinc/03/91/23/586039123.db2.gz FOJHPYPNNWIBET-LLVKDONJSA-N 1 2 249.314 1.295 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCC3(C2)OCCO3)cn1 ZINC000794410729 586039124 /nfs/dbraw/zinc/03/91/24/586039124.db2.gz FOJHPYPNNWIBET-LLVKDONJSA-N 1 2 249.314 1.295 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]O[C@H]1CCOC1 ZINC000794521530 586041467 /nfs/dbraw/zinc/04/14/67/586041467.db2.gz MYIQSZYXTNULJP-QMMMGPOBSA-N 1 2 216.281 1.089 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000794578145 586045146 /nfs/dbraw/zinc/04/51/46/586045146.db2.gz WTRZKQHYCCRKHG-NEPJUHHUSA-N 1 2 243.347 1.470 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cn2cc(Cl)cn2)CC1 ZINC000794673721 586046231 /nfs/dbraw/zinc/04/62/31/586046231.db2.gz UQLDGFLDDCRMPJ-LLVKDONJSA-N 1 2 243.738 1.731 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cn2cc(Cl)cn2)CC1 ZINC000794673721 586046232 /nfs/dbraw/zinc/04/62/32/586046232.db2.gz UQLDGFLDDCRMPJ-LLVKDONJSA-N 1 2 243.738 1.731 20 0 BDADLO C[C@H](O)CCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000795505524 586081778 /nfs/dbraw/zinc/08/17/78/586081778.db2.gz JVNTXIOOLGBQDD-JTQLQIEISA-N 1 2 248.282 1.652 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@@H](CC(C)C)C(=O)OC ZINC000795544239 586084404 /nfs/dbraw/zinc/08/44/04/586084404.db2.gz HOEQCUOGGAFLCA-LBPRGKRZSA-N 1 2 243.347 1.875 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)OC ZINC000795544239 586084406 /nfs/dbraw/zinc/08/44/06/586084406.db2.gz HOEQCUOGGAFLCA-LBPRGKRZSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccnc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000859307581 589029767 /nfs/dbraw/zinc/02/97/67/589029767.db2.gz CGNQNZLERAIKQN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO C[N@H+](Cc1cccnc1)[C@H]1CC(C)(C)OC1=O ZINC000795663145 586090390 /nfs/dbraw/zinc/09/03/90/586090390.db2.gz YECTXQYSJWCSEK-NSHDSACASA-N 1 2 234.299 1.608 20 0 BDADLO C[N@@H+](Cc1cccnc1)[C@H]1CC(C)(C)OC1=O ZINC000795663145 586090391 /nfs/dbraw/zinc/09/03/91/586090391.db2.gz YECTXQYSJWCSEK-NSHDSACASA-N 1 2 234.299 1.608 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795661481 586090480 /nfs/dbraw/zinc/09/04/80/586090480.db2.gz LTAHPBBWFOEWPB-JTQLQIEISA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795661481 586090481 /nfs/dbraw/zinc/09/04/81/586090481.db2.gz LTAHPBBWFOEWPB-JTQLQIEISA-N 1 2 227.304 1.382 20 0 BDADLO C[N@H+](CCc1cccnc1)[C@H]1CC(C)(C)OC1=O ZINC000795685247 586091191 /nfs/dbraw/zinc/09/11/91/586091191.db2.gz CKQGXHPKBPVDKO-LBPRGKRZSA-N 1 2 248.326 1.650 20 0 BDADLO C[N@@H+](CCc1cccnc1)[C@H]1CC(C)(C)OC1=O ZINC000795685247 586091192 /nfs/dbraw/zinc/09/11/92/586091192.db2.gz CKQGXHPKBPVDKO-LBPRGKRZSA-N 1 2 248.326 1.650 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cn1cnnc1)CCO2 ZINC000795712521 586091377 /nfs/dbraw/zinc/09/13/77/586091377.db2.gz YXOHZTCLHVECIW-UHFFFAOYSA-N 1 2 244.298 1.439 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cn1cnnc1)CCO2 ZINC000795712521 586091378 /nfs/dbraw/zinc/09/13/78/586091378.db2.gz YXOHZTCLHVECIW-UHFFFAOYSA-N 1 2 244.298 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@H]1CCCOC1 ZINC000796199226 586098508 /nfs/dbraw/zinc/09/85/08/586098508.db2.gz BFLSDFHORUSYQX-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCOC1 ZINC000796199226 586098509 /nfs/dbraw/zinc/09/85/09/586098509.db2.gz BFLSDFHORUSYQX-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000796385314 586102346 /nfs/dbraw/zinc/10/23/46/586102346.db2.gz RLECJMMABYPDTK-NEPJUHHUSA-N 1 2 234.299 1.566 20 0 BDADLO CC(C)(C)OCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000796382455 586102372 /nfs/dbraw/zinc/10/23/72/586102372.db2.gz ZNHVHSVDSZLQFX-UHFFFAOYSA-N 1 2 239.319 1.621 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nnc2ccccn21 ZINC000796443592 586103589 /nfs/dbraw/zinc/10/35/89/586103589.db2.gz STAKCCAKHWXVPJ-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nnc2ccccn21 ZINC000796443592 586103590 /nfs/dbraw/zinc/10/35/90/586103590.db2.gz STAKCCAKHWXVPJ-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO O=C(CC[N@H+]1CCOC[C@H]1CC(F)F)C1CC1 ZINC000796585554 586107810 /nfs/dbraw/zinc/10/78/10/586107810.db2.gz XFPZZBZRVQLXOX-SNVBAGLBSA-N 1 2 247.285 1.712 20 0 BDADLO O=C(CC[N@@H+]1CCOC[C@H]1CC(F)F)C1CC1 ZINC000796585554 586107811 /nfs/dbraw/zinc/10/78/11/586107811.db2.gz XFPZZBZRVQLXOX-SNVBAGLBSA-N 1 2 247.285 1.712 20 0 BDADLO CC(C)n1cc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000798182374 586138598 /nfs/dbraw/zinc/13/85/98/586138598.db2.gz FSCYSGUSCYCHLF-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO Cc1c(C(=O)OCc2c[nH+]cn2C)ccn1C ZINC000798835579 586150308 /nfs/dbraw/zinc/15/03/08/586150308.db2.gz KTYNGKOYKOGKTF-UHFFFAOYSA-N 1 2 233.271 1.424 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cn1cnnc1 ZINC000799147289 586161683 /nfs/dbraw/zinc/16/16/83/586161683.db2.gz FNPOERIBSWEXIF-LBPRGKRZSA-N 1 2 246.318 1.196 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cn1cnnc1 ZINC000799147289 586161686 /nfs/dbraw/zinc/16/16/86/586161686.db2.gz FNPOERIBSWEXIF-LBPRGKRZSA-N 1 2 246.318 1.196 20 0 BDADLO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000799350099 586172863 /nfs/dbraw/zinc/17/28/63/586172863.db2.gz NAZOXMCWJSWRJS-ZDUSSCGKSA-N 1 2 245.326 1.493 20 0 BDADLO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000799350098 586172995 /nfs/dbraw/zinc/17/29/95/586172995.db2.gz NAZOXMCWJSWRJS-CYBMUJFWSA-N 1 2 245.326 1.493 20 0 BDADLO CC(=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859476008 589039891 /nfs/dbraw/zinc/03/98/91/589039891.db2.gz LXIYBWZCVJNYOF-UHFFFAOYSA-N 1 2 205.257 1.687 20 0 BDADLO CC(=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859476008 589039893 /nfs/dbraw/zinc/03/98/93/589039893.db2.gz LXIYBWZCVJNYOF-UHFFFAOYSA-N 1 2 205.257 1.687 20 0 BDADLO CC(C)[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802231243 586297682 /nfs/dbraw/zinc/29/76/82/586297682.db2.gz AOKOYEUPKPMOPB-GHMZBOCLSA-N 1 2 231.311 1.866 20 0 BDADLO CC(C)[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802231243 586297683 /nfs/dbraw/zinc/29/76/83/586297683.db2.gz AOKOYEUPKPMOPB-GHMZBOCLSA-N 1 2 231.311 1.866 20 0 BDADLO CCO[C@H](CC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802232531 586298019 /nfs/dbraw/zinc/29/80/19/586298019.db2.gz JSUXSHNQAUXMLE-WDEREUQCSA-N 1 2 247.310 1.389 20 0 BDADLO CCO[C@H](CC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802232531 586298020 /nfs/dbraw/zinc/29/80/20/586298020.db2.gz JSUXSHNQAUXMLE-WDEREUQCSA-N 1 2 247.310 1.389 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1nccs1 ZINC000802235392 586298221 /nfs/dbraw/zinc/29/82/21/586298221.db2.gz ZGYUVHZKZOBFSF-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1nccs1 ZINC000802235392 586298224 /nfs/dbraw/zinc/29/82/24/586298224.db2.gz ZGYUVHZKZOBFSF-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839959255 586300418 /nfs/dbraw/zinc/30/04/18/586300418.db2.gz KNVRGOYEDIDIAT-KXNHARMFSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839959255 586300420 /nfs/dbraw/zinc/30/04/20/586300420.db2.gz KNVRGOYEDIDIAT-KXNHARMFSA-N 1 2 238.331 1.064 20 0 BDADLO CCc1nc(C(=O)OCCn2cc[nH+]c2)c(C)o1 ZINC000802814740 586316379 /nfs/dbraw/zinc/31/63/79/586316379.db2.gz CWVYBVSJOMWJFI-UHFFFAOYSA-N 1 2 249.270 1.599 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1C[C@H](C)[C@H](C)C1=O ZINC000839998747 586348750 /nfs/dbraw/zinc/34/87/50/586348750.db2.gz JECXUSSYGUGYCJ-SDDRHHMPSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1C[C@H](C)[C@H](C)C1=O ZINC000839998747 586348751 /nfs/dbraw/zinc/34/87/51/586348751.db2.gz JECXUSSYGUGYCJ-SDDRHHMPSA-N 1 2 240.347 1.169 20 0 BDADLO CCC[C@H]1C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840036695 586386792 /nfs/dbraw/zinc/38/67/92/586386792.db2.gz FERXDKMYGHDUDU-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@H]1C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840036695 586386794 /nfs/dbraw/zinc/38/67/94/586386794.db2.gz FERXDKMYGHDUDU-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000804289479 586387530 /nfs/dbraw/zinc/38/75/30/586387530.db2.gz AYXFCOKYCLFTJW-KOLCDFICSA-N 1 2 219.288 1.272 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)C(=O)[C@H]1C ZINC000840040545 586391628 /nfs/dbraw/zinc/39/16/28/586391628.db2.gz FWBNQUDLIGXJOV-RHYQMDGZSA-N 1 2 242.338 1.738 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)C(=O)[C@H]1C ZINC000840040545 586391630 /nfs/dbraw/zinc/39/16/30/586391630.db2.gz FWBNQUDLIGXJOV-RHYQMDGZSA-N 1 2 242.338 1.738 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)O[C@@H](C)[C@H]2C)C1=O ZINC000840054135 586403438 /nfs/dbraw/zinc/40/34/38/586403438.db2.gz QRKJTWVOURUKQY-QCNOEVLYSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)O[C@@H](C)[C@H]2C)C1=O ZINC000840054135 586403441 /nfs/dbraw/zinc/40/34/41/586403441.db2.gz QRKJTWVOURUKQY-QCNOEVLYSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000806440857 586412601 /nfs/dbraw/zinc/41/26/01/586412601.db2.gz BKGWXWPFJDVUBB-JTQLQIEISA-N 1 2 247.298 1.683 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NOC1CCCCC1 ZINC000807289078 586432201 /nfs/dbraw/zinc/43/22/01/586432201.db2.gz IHHPNDGDTMGXKJ-UHFFFAOYSA-N 1 2 237.303 1.343 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2CCCC2=O)C1 ZINC000840098849 586445782 /nfs/dbraw/zinc/44/57/82/586445782.db2.gz FFNNTPZKDHCITB-NSHDSACASA-N 1 2 214.284 1.390 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2CCCC2=O)C1 ZINC000840098849 586445783 /nfs/dbraw/zinc/44/57/83/586445783.db2.gz FFNNTPZKDHCITB-NSHDSACASA-N 1 2 214.284 1.390 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000840101592 586446353 /nfs/dbraw/zinc/44/63/53/586446353.db2.gz USRUAYXHUIXWNK-JQWIXIFHSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000840101592 586446354 /nfs/dbraw/zinc/44/63/54/586446354.db2.gz USRUAYXHUIXWNK-JQWIXIFHSA-N 1 2 228.311 1.636 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cn(C)cn2)o1 ZINC000808390407 586470026 /nfs/dbraw/zinc/47/00/26/586470026.db2.gz UACPMOBNPDODDQ-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO COC(=O)c1ccc(CNCc2cn(C)c[nH+]2)o1 ZINC000808390407 586470027 /nfs/dbraw/zinc/47/00/27/586470027.db2.gz UACPMOBNPDODDQ-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000808384044 586470234 /nfs/dbraw/zinc/47/02/34/586470234.db2.gz ZNKBCJMCXWAZSC-UHFFFAOYSA-N 1 2 247.327 1.419 20 0 BDADLO Cn1c[nH+]c(CNCc2cn3ccsc3n2)c1 ZINC000808384044 586470237 /nfs/dbraw/zinc/47/02/37/586470237.db2.gz ZNKBCJMCXWAZSC-UHFFFAOYSA-N 1 2 247.327 1.419 20 0 BDADLO Cn1c[nH+]c(CNc2ccn(CC(F)F)n2)c1 ZINC000808395539 586471249 /nfs/dbraw/zinc/47/12/49/586471249.db2.gz ONBWOROPSXMJMN-UHFFFAOYSA-N 1 2 241.245 1.494 20 0 BDADLO Cn1c[nH+]c(CNc2cnn(C)c2C2CC2)c1 ZINC000808406682 586471885 /nfs/dbraw/zinc/47/18/85/586471885.db2.gz LWBPUSASVUBXPV-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO OC1(c2ccc(NCc3[nH]cc[nH+]3)cc2)COC1 ZINC000808433052 586472290 /nfs/dbraw/zinc/47/22/90/586472290.db2.gz MESHHZRUSCRJPP-UHFFFAOYSA-N 1 2 245.282 1.240 20 0 BDADLO Cn1c[nH+]c(CNCc2noc3c2CCCC3)c1 ZINC000808436208 586472447 /nfs/dbraw/zinc/47/24/47/586472447.db2.gz QQQOBWXUFRRRKU-UHFFFAOYSA-N 1 2 246.314 1.577 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(C)(F)F)C[C@@H]1C ZINC000808465015 586474453 /nfs/dbraw/zinc/47/44/53/586474453.db2.gz FHAZNCZFWMGNBL-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(C)(F)F)C[C@@H]1C ZINC000808465015 586474454 /nfs/dbraw/zinc/47/44/54/586474454.db2.gz FHAZNCZFWMGNBL-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000808729336 586485466 /nfs/dbraw/zinc/48/54/66/586485466.db2.gz YHMIURANLNPKON-UVWXRNBGSA-N 1 2 245.388 1.443 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000808729336 586485467 /nfs/dbraw/zinc/48/54/67/586485467.db2.gz YHMIURANLNPKON-UVWXRNBGSA-N 1 2 245.388 1.443 20 0 BDADLO O=C1SCCN1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840169581 586503693 /nfs/dbraw/zinc/50/36/93/586503693.db2.gz XLGSHAZYXVDTPR-YUMQZZPRSA-N 1 2 230.358 1.302 20 0 BDADLO O=C1SCCN1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840169581 586503695 /nfs/dbraw/zinc/50/36/95/586503695.db2.gz XLGSHAZYXVDTPR-YUMQZZPRSA-N 1 2 230.358 1.302 20 0 BDADLO c1nc(C[NH+]2CCCC2)sc1C1OCCO1 ZINC000809537383 586506166 /nfs/dbraw/zinc/50/61/66/586506166.db2.gz JDJJMSKTQQWNSP-UHFFFAOYSA-N 1 2 240.328 1.784 20 0 BDADLO Cc1noc(CCC[N@@H+]2Cc3ccncc3C2)n1 ZINC000809565739 586507447 /nfs/dbraw/zinc/50/74/47/586507447.db2.gz QIFYWZHWZCGFBE-UHFFFAOYSA-N 1 2 244.298 1.721 20 0 BDADLO Cc1noc(CCC[N@H+]2Cc3ccncc3C2)n1 ZINC000809565739 586507448 /nfs/dbraw/zinc/50/74/48/586507448.db2.gz QIFYWZHWZCGFBE-UHFFFAOYSA-N 1 2 244.298 1.721 20 0 BDADLO CC[N@H+](Cn1ncn(C)c1=O)C1CC(C)(C)C1 ZINC000840184665 586519029 /nfs/dbraw/zinc/51/90/29/586519029.db2.gz RTKHXRYGBFZKEV-UHFFFAOYSA-N 1 2 238.335 1.050 20 0 BDADLO CC[N@@H+](Cn1ncn(C)c1=O)C1CC(C)(C)C1 ZINC000840184665 586519031 /nfs/dbraw/zinc/51/90/31/586519031.db2.gz RTKHXRYGBFZKEV-UHFFFAOYSA-N 1 2 238.335 1.050 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@H]1CCCSC1 ZINC000809960393 586526468 /nfs/dbraw/zinc/52/64/68/586526468.db2.gz NFALJQOXDFHSDY-ZETCQYMHSA-N 1 2 230.358 1.349 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000809966547 586527149 /nfs/dbraw/zinc/52/71/49/586527149.db2.gz FMCJXWXNWVBIEN-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000809966547 586527150 /nfs/dbraw/zinc/52/71/50/586527150.db2.gz FMCJXWXNWVBIEN-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000809985387 586528721 /nfs/dbraw/zinc/52/87/21/586528721.db2.gz KSUUEFISSDUCKQ-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)n1 ZINC000809998816 586530141 /nfs/dbraw/zinc/53/01/41/586530141.db2.gz WDPUISSJSHJPGI-CBAPKCEASA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)n1 ZINC000809998816 586530142 /nfs/dbraw/zinc/53/01/42/586530142.db2.gz WDPUISSJSHJPGI-CBAPKCEASA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@]1([NH2+]C[C@H](O)CC2CCCC2)CCOC1=O ZINC000810096217 586533724 /nfs/dbraw/zinc/53/37/24/586533724.db2.gz IDOLXGIMZGQHJB-DGCLKSJQSA-N 1 2 241.331 1.223 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCc2c[nH+]cn2C)o1 ZINC000810756082 586546391 /nfs/dbraw/zinc/54/63/91/586546391.db2.gz SIADBJGCIAECST-SNVBAGLBSA-N 1 2 247.298 1.741 20 0 BDADLO CCC(C)(C)NC(=S)NCc1c[nH+]cn1C ZINC000811701991 586565861 /nfs/dbraw/zinc/56/58/61/586565861.db2.gz SVMFUJGXKKVCSK-UHFFFAOYSA-N 1 2 240.376 1.573 20 0 BDADLO C[C@@H]1C[N@H+](Cn2ccsc2=O)CCC1(F)F ZINC000811780858 586566793 /nfs/dbraw/zinc/56/67/93/586566793.db2.gz RODHCLZHTQPEFC-MRVPVSSYSA-N 1 2 248.298 1.844 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2ccsc2=O)CCC1(F)F ZINC000811780858 586566794 /nfs/dbraw/zinc/56/67/94/586566794.db2.gz RODHCLZHTQPEFC-MRVPVSSYSA-N 1 2 248.298 1.844 20 0 BDADLO CC[N@H+](C[C@H](C)OC)Cn1ncn(C)c1=S ZINC000812303984 586573210 /nfs/dbraw/zinc/57/32/10/586573210.db2.gz UVOZOHSFXHSOAT-VIFPVBQESA-N 1 2 244.364 1.265 20 0 BDADLO CC[N@@H+](C[C@H](C)OC)Cn1ncn(C)c1=S ZINC000812303984 586573211 /nfs/dbraw/zinc/57/32/11/586573211.db2.gz UVOZOHSFXHSOAT-VIFPVBQESA-N 1 2 244.364 1.265 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000812638366 586581304 /nfs/dbraw/zinc/58/13/04/586581304.db2.gz QLQADOXBSUNESG-VXGBXAGGSA-N 1 2 241.331 1.298 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1coc(C2CC2)n1 ZINC000813256553 586598746 /nfs/dbraw/zinc/59/87/46/586598746.db2.gz HOKIXHRIKLBRPK-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO COc1ccc2nc(C[N@@H+]3C[C@H](C)[C@H]3C)[nH]c2n1 ZINC000815163484 586671807 /nfs/dbraw/zinc/67/18/07/586671807.db2.gz OQUJQPIVRLFJGO-DTWKUNHWSA-N 1 2 246.314 1.807 20 0 BDADLO COc1ccc2nc(C[N@H+]3C[C@H](C)[C@H]3C)[nH]c2n1 ZINC000815163484 586671808 /nfs/dbraw/zinc/67/18/08/586671808.db2.gz OQUJQPIVRLFJGO-DTWKUNHWSA-N 1 2 246.314 1.807 20 0 BDADLO C[C@@H]1CN(C(=O)c2sccc2F)CC[N@@H+]1C ZINC000815700480 586692084 /nfs/dbraw/zinc/69/20/84/586692084.db2.gz JMELCWNNSKVGLF-MRVPVSSYSA-N 1 2 242.319 1.663 20 0 BDADLO C[C@@H]1CN(C(=O)c2sccc2F)CC[N@H+]1C ZINC000815700480 586692086 /nfs/dbraw/zinc/69/20/86/586692086.db2.gz JMELCWNNSKVGLF-MRVPVSSYSA-N 1 2 242.319 1.663 20 0 BDADLO CO[C@@H](COC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000816384387 586723291 /nfs/dbraw/zinc/72/32/91/586723291.db2.gz QCCCECBAYSDILO-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CO[C@@H](COC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000816384387 586723294 /nfs/dbraw/zinc/72/32/94/586723294.db2.gz QCCCECBAYSDILO-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO Cn1ncc(C[N@H+](C)[C@@H]2CCOC2)c1Cl ZINC000816503799 586737494 /nfs/dbraw/zinc/73/74/94/586737494.db2.gz MQTYAPFBLAPFJT-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1ncc(C[N@@H+](C)[C@@H]2CCOC2)c1Cl ZINC000816503799 586737495 /nfs/dbraw/zinc/73/74/95/586737495.db2.gz MQTYAPFBLAPFJT-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO CCc1nocc1C[NH2+]Cc1nonc1C ZINC000816611354 586743698 /nfs/dbraw/zinc/74/36/98/586743698.db2.gz NTWNRIOKGZBFKX-UHFFFAOYSA-N 1 2 222.248 1.218 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000816808301 586764833 /nfs/dbraw/zinc/76/48/33/586764833.db2.gz JSSWFKZBMCYTNE-SNVBAGLBSA-N 1 2 229.283 1.830 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccc(F)cc1 ZINC000816811925 586765468 /nfs/dbraw/zinc/76/54/68/586765468.db2.gz UQNFZADVBDGAQZ-UHFFFAOYSA-N 1 2 247.273 1.450 20 0 BDADLO CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816809462 586765509 /nfs/dbraw/zinc/76/55/09/586765509.db2.gz YJNWVGLCFPJJKH-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nn1cnc2ccccc21 ZINC000816823614 586766524 /nfs/dbraw/zinc/76/65/24/586766524.db2.gz AGUUUWIDEPOBEU-UHFFFAOYSA-N 1 2 241.254 1.072 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816816122 586766534 /nfs/dbraw/zinc/76/65/34/586766534.db2.gz MVNMHMXOMQDTSC-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO CN(CC1CCCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816843419 586767479 /nfs/dbraw/zinc/76/74/79/586767479.db2.gz BQGFKNFAJPDVBU-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816863988 586769202 /nfs/dbraw/zinc/76/92/02/586769202.db2.gz ZJAHYUCLURHDBE-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000816937244 586772007 /nfs/dbraw/zinc/77/20/07/586772007.db2.gz ZBUKHUJBDIFKSY-DTORHVGOSA-N 1 2 219.288 1.067 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(O)c(F)c1 ZINC000816930705 586772273 /nfs/dbraw/zinc/77/22/73/586772273.db2.gz FBOYVXJXZLEPQJ-UHFFFAOYSA-N 1 2 249.245 1.113 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ccc(F)nc2)C1 ZINC000816949160 586773500 /nfs/dbraw/zinc/77/35/00/586773500.db2.gz PGVYTGSIPLSSHM-UHFFFAOYSA-N 1 2 237.278 1.501 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC12CC2 ZINC000817233226 586788586 /nfs/dbraw/zinc/78/85/86/586788586.db2.gz PTJXFZWTCPPMJR-GHMZBOCLSA-N 1 2 239.315 1.050 20 0 BDADLO O=C1NCC[N@@H+](CCF)[C@@H]1CC1CCCCC1 ZINC000817298182 586794132 /nfs/dbraw/zinc/79/41/32/586794132.db2.gz HPQWICHTHCGDOV-GFCCVEGCSA-N 1 2 242.338 1.727 20 0 BDADLO O=C1NCC[N@H+](CCF)[C@@H]1CC1CCCCC1 ZINC000817298182 586794133 /nfs/dbraw/zinc/79/41/33/586794133.db2.gz HPQWICHTHCGDOV-GFCCVEGCSA-N 1 2 242.338 1.727 20 0 BDADLO O=c1ccc([C@H]2CCC[N@H+]2CCF)n[nH]1 ZINC000859890144 589068990 /nfs/dbraw/zinc/06/89/90/589068990.db2.gz SEGAUOXMKCTVJJ-SECBINFHSA-N 1 2 211.240 1.289 20 0 BDADLO O=c1ccc([C@H]2CCC[N@@H+]2CCF)n[nH]1 ZINC000859890144 589068992 /nfs/dbraw/zinc/06/89/92/589068992.db2.gz SEGAUOXMKCTVJJ-SECBINFHSA-N 1 2 211.240 1.289 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000859905681 589069866 /nfs/dbraw/zinc/06/98/66/589069866.db2.gz NDDNYPJYTRXWKM-LLVKDONJSA-N 1 2 228.267 1.543 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000859905681 589069868 /nfs/dbraw/zinc/06/98/68/589069868.db2.gz NDDNYPJYTRXWKM-LLVKDONJSA-N 1 2 228.267 1.543 20 0 BDADLO C[C@H](F)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000818297840 586883459 /nfs/dbraw/zinc/88/34/59/586883459.db2.gz LIWTYFHGPURHGW-VIFPVBQESA-N 1 2 235.262 1.812 20 0 BDADLO CCn1nc(C)c(CN[C@H](C)c2[nH+]ccn2C)n1 ZINC000818343432 586887199 /nfs/dbraw/zinc/88/71/99/586887199.db2.gz BGFZYCLVAQPVQE-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)c2ccccc2C)no1 ZINC000819078454 586929219 /nfs/dbraw/zinc/92/92/19/586929219.db2.gz VSFWKPGYXZPDQU-LBPRGKRZSA-N 1 2 247.298 1.510 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C(F)=C1CCC1 ZINC000819265515 586945261 /nfs/dbraw/zinc/94/52/61/586945261.db2.gz GYKMRPAKQSIBNU-UHFFFAOYSA-N 1 2 223.251 1.476 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(F)=C1CCC1 ZINC000819503439 586970899 /nfs/dbraw/zinc/97/08/99/586970899.db2.gz JPIGUOGQQHLMKF-SNVBAGLBSA-N 1 2 249.289 1.722 20 0 BDADLO CSC[C@@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775274 586992314 /nfs/dbraw/zinc/99/23/14/586992314.db2.gz YGHIBCUOMTUCER-RNFRBKRXSA-N 1 2 232.374 1.593 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)CCC(C)(C)O)S1 ZINC000819778252 586992994 /nfs/dbraw/zinc/99/29/94/586992994.db2.gz YUAOUINCFVWMLI-ZETCQYMHSA-N 1 2 230.333 1.145 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)CCC(C)(C)O)S1 ZINC000819778251 586993239 /nfs/dbraw/zinc/99/32/39/586993239.db2.gz YUAOUINCFVWMLI-SSDOTTSWSA-N 1 2 230.333 1.145 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000820085928 587020438 /nfs/dbraw/zinc/02/04/38/587020438.db2.gz ZHFWOWJIVOBKOF-JTQLQIEISA-N 1 2 247.298 1.330 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/[C@H]1CCCO1 ZINC000820160712 587030105 /nfs/dbraw/zinc/03/01/05/587030105.db2.gz AXNMGOSHBDOXKW-SGUJLRQBSA-N 1 2 236.271 1.199 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cn(C)nc2C)[nH+]1 ZINC000820222771 587036406 /nfs/dbraw/zinc/03/64/06/587036406.db2.gz WISBPHLSLDYYNG-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000820465698 587050341 /nfs/dbraw/zinc/05/03/41/587050341.db2.gz QYTFMNDNEJJOHO-QWRGUYRKSA-N 1 2 239.319 1.362 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cc[nH]n2)on1 ZINC000820809851 587074483 /nfs/dbraw/zinc/07/44/83/587074483.db2.gz JEKZSUAJHRIZMA-SSDOTTSWSA-N 1 2 222.248 1.257 20 0 BDADLO Cc1ccc(N[C@@H](C)c2cnnn2C)c[nH+]1 ZINC000820837821 587074767 /nfs/dbraw/zinc/07/47/67/587074767.db2.gz XHYBSMGDACWERZ-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO CC(C)N(C(=O)/C=C/c1cn(C)c[nH+]1)C1COC1 ZINC000820894736 587080197 /nfs/dbraw/zinc/08/01/97/587080197.db2.gz AUIDLNSPEPGRCW-SNAWJCMRSA-N 1 2 249.314 1.069 20 0 BDADLO CC[C@@H](CO)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820958289 587084751 /nfs/dbraw/zinc/08/47/51/587084751.db2.gz SHAHPGDHCBWGQI-JTQLQIEISA-N 1 2 247.298 1.406 20 0 BDADLO O=C1OC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000860163899 589084638 /nfs/dbraw/zinc/08/46/38/589084638.db2.gz DEHDPTLKBAHLQZ-CWJSLXATSA-N 1 2 236.098 1.410 20 0 BDADLO O=C1OC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000860163899 589084640 /nfs/dbraw/zinc/08/46/40/589084640.db2.gz DEHDPTLKBAHLQZ-CWJSLXATSA-N 1 2 236.098 1.410 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(C)CC=CC1 ZINC000821238305 587103337 /nfs/dbraw/zinc/10/33/37/587103337.db2.gz HUNQTQCVVMVKLY-UHFFFAOYSA-N 1 2 233.315 1.876 20 0 BDADLO CCOC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000821259793 587104162 /nfs/dbraw/zinc/10/41/62/587104162.db2.gz LAIZXKAYWLCCRM-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO CCOC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000821259793 587104163 /nfs/dbraw/zinc/10/41/63/587104163.db2.gz LAIZXKAYWLCCRM-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO CSC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000821262533 587104307 /nfs/dbraw/zinc/10/43/07/587104307.db2.gz VWANZLLVXGVHJS-LLVKDONJSA-N 1 2 224.329 1.121 20 0 BDADLO CSC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000821262533 587104309 /nfs/dbraw/zinc/10/43/09/587104309.db2.gz VWANZLLVXGVHJS-LLVKDONJSA-N 1 2 224.329 1.121 20 0 BDADLO CCCN(CC(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000821345676 587107803 /nfs/dbraw/zinc/10/78/03/587107803.db2.gz JMZRSINAUVAUMJ-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO O=C(C[C@@H]1CC=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821385689 587115251 /nfs/dbraw/zinc/11/52/51/587115251.db2.gz NFMZXXBGDHHGMH-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO Nc1cc(COC(=O)/C=C/[C@H]2CCCO2)cc[nH+]1 ZINC000821398842 587117280 /nfs/dbraw/zinc/11/72/80/587117280.db2.gz TZOKKHNYCWFGKL-PGLGOXFNSA-N 1 2 248.282 1.442 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000821704846 587134806 /nfs/dbraw/zinc/13/48/06/587134806.db2.gz FBJHMEYDJZNXJN-VIFPVBQESA-N 1 2 233.271 1.293 20 0 BDADLO O=C(NC[C@@H]1CCC=CO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822278361 587160916 /nfs/dbraw/zinc/16/09/16/587160916.db2.gz VQANXLBEWYWDDE-HBNTYKKESA-N 1 2 247.298 1.322 20 0 BDADLO O=C(NC[C@@H]1CCC=CO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822278361 587160918 /nfs/dbraw/zinc/16/09/18/587160918.db2.gz VQANXLBEWYWDDE-HBNTYKKESA-N 1 2 247.298 1.322 20 0 BDADLO O=C(NC[C@H]1CCC=CO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822278359 587161021 /nfs/dbraw/zinc/16/10/21/587161021.db2.gz VQANXLBEWYWDDE-GMTAPVOTSA-N 1 2 247.298 1.322 20 0 BDADLO O=C(NC[C@H]1CCC=CO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822278359 587161023 /nfs/dbraw/zinc/16/10/23/587161023.db2.gz VQANXLBEWYWDDE-GMTAPVOTSA-N 1 2 247.298 1.322 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nnc(C2CC2)s1 ZINC000822639003 587178999 /nfs/dbraw/zinc/17/89/99/587178999.db2.gz LPDXKFCGHNZOPG-UHFFFAOYSA-N 1 2 249.299 1.320 20 0 BDADLO C[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1nnc[nH]1 ZINC000822677619 587180355 /nfs/dbraw/zinc/18/03/55/587180355.db2.gz YQLISDKNHJGSDK-SSDOTTSWSA-N 1 2 249.145 1.820 20 0 BDADLO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1nnc[nH]1 ZINC000822677619 587180356 /nfs/dbraw/zinc/18/03/56/587180356.db2.gz YQLISDKNHJGSDK-SSDOTTSWSA-N 1 2 249.145 1.820 20 0 BDADLO CC[C@H](C)CONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823101810 587203072 /nfs/dbraw/zinc/20/30/72/587203072.db2.gz VUDYPWOSJRBZOH-IVZWLZJFSA-N 1 2 237.303 1.607 20 0 BDADLO CC[C@H](C)CONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823101810 587203073 /nfs/dbraw/zinc/20/30/73/587203073.db2.gz VUDYPWOSJRBZOH-IVZWLZJFSA-N 1 2 237.303 1.607 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](OC)C2)n1 ZINC000823409293 587220092 /nfs/dbraw/zinc/22/00/92/587220092.db2.gz XAADHJWLHSVFKD-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCC[C@@H](OC)C2)n1 ZINC000823409293 587220093 /nfs/dbraw/zinc/22/00/93/587220093.db2.gz XAADHJWLHSVFKD-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000823432352 587221112 /nfs/dbraw/zinc/22/11/12/587221112.db2.gz GFFDFQAOJDGQOZ-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000823432352 587221113 /nfs/dbraw/zinc/22/11/13/587221113.db2.gz GFFDFQAOJDGQOZ-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(CNc2[nH+]cccc2OC)n1 ZINC000824057904 587252942 /nfs/dbraw/zinc/25/29/42/587252942.db2.gz JPGPGHUGYHCLCN-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000824277444 587264642 /nfs/dbraw/zinc/26/46/42/587264642.db2.gz UTEQIZSPVURQMF-OUAUKWLOSA-N 1 2 245.388 1.915 20 0 BDADLO CCc1nn(C)cc1C[NH2+]C(CF)CF ZINC000824555559 587276052 /nfs/dbraw/zinc/27/60/52/587276052.db2.gz VCZYMQPMPKEGJC-UHFFFAOYSA-N 1 2 217.263 1.380 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC(C)=NO1 ZINC000824895325 587291935 /nfs/dbraw/zinc/29/19/35/587291935.db2.gz UNDRCKUPWZRAAL-JTQLQIEISA-N 1 2 235.243 1.194 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)o1 ZINC000824909105 587293056 /nfs/dbraw/zinc/29/30/56/587293056.db2.gz IVZLPXJRIURPAQ-QMMMGPOBSA-N 1 2 222.288 1.217 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(C)o1 ZINC000824909105 587293058 /nfs/dbraw/zinc/29/30/58/587293058.db2.gz IVZLPXJRIURPAQ-QMMMGPOBSA-N 1 2 222.288 1.217 20 0 BDADLO CC[C@H](C)CCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824918420 587293505 /nfs/dbraw/zinc/29/35/05/587293505.db2.gz VIVOTBBCEQGSLF-QRGHLMKCSA-N 1 2 235.331 1.986 20 0 BDADLO CC1(C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825928542 587346083 /nfs/dbraw/zinc/34/60/83/587346083.db2.gz YLYSWYGFALQTRW-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000826064907 587350184 /nfs/dbraw/zinc/35/01/84/587350184.db2.gz RDGOCHZQSLUVLU-AOOOYVTPSA-N 1 2 221.304 1.742 20 0 BDADLO COc1cncc(C[NH+]2CC(C(F)F)C2)c1 ZINC000826113359 587350868 /nfs/dbraw/zinc/35/08/68/587350868.db2.gz KFBZCWFKBFRJSE-UHFFFAOYSA-N 1 2 228.242 1.787 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H]2C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826313272 587351993 /nfs/dbraw/zinc/35/19/93/587351993.db2.gz ALJFKNKFBLWBLA-IUCAKERBSA-N 1 2 244.302 1.638 20 0 BDADLO Cn1c2ccccc2sc1=NC(=O)C(C)(C)[NH3+] ZINC000826624538 587357070 /nfs/dbraw/zinc/35/70/70/587357070.db2.gz XDGXCYWXHMDYQM-UHFFFAOYSA-N 1 2 249.339 1.404 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(F)F ZINC000826736655 587360715 /nfs/dbraw/zinc/36/07/15/587360715.db2.gz LPWJFFFQLUCDNR-JTQLQIEISA-N 1 2 240.253 1.554 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(F)F ZINC000826736655 587360716 /nfs/dbraw/zinc/36/07/16/587360716.db2.gz LPWJFFFQLUCDNR-JTQLQIEISA-N 1 2 240.253 1.554 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCC=CO1 ZINC000826769181 587361530 /nfs/dbraw/zinc/36/15/30/587361530.db2.gz IPCDDRSHTDLIRM-LLVKDONJSA-N 1 2 207.277 1.534 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CCC=CO1 ZINC000826769181 587361531 /nfs/dbraw/zinc/36/15/31/587361531.db2.gz IPCDDRSHTDLIRM-LLVKDONJSA-N 1 2 207.277 1.534 20 0 BDADLO CC1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000826920235 587365511 /nfs/dbraw/zinc/36/55/11/587365511.db2.gz FREGVHOHNKKUCK-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC=CO2)o1 ZINC000827039559 587368520 /nfs/dbraw/zinc/36/85/20/587368520.db2.gz ZBDUBSSFESFAPY-JTQLQIEISA-N 1 2 223.276 1.503 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC=CO2)o1 ZINC000827039559 587368521 /nfs/dbraw/zinc/36/85/21/587368521.db2.gz ZBDUBSSFESFAPY-JTQLQIEISA-N 1 2 223.276 1.503 20 0 BDADLO CCc1ncc(C[N@H+](CCF)CCOC)cn1 ZINC000827047936 587368934 /nfs/dbraw/zinc/36/89/34/587368934.db2.gz KNPAKHSPOPNARS-UHFFFAOYSA-N 1 2 241.310 1.457 20 0 BDADLO CCc1ncc(C[N@@H+](CCF)CCOC)cn1 ZINC000827047936 587368935 /nfs/dbraw/zinc/36/89/35/587368935.db2.gz KNPAKHSPOPNARS-UHFFFAOYSA-N 1 2 241.310 1.457 20 0 BDADLO C[C@@]1(C[NH+]2CCOCC2)CC1(Cl)Cl ZINC000827294761 587374897 /nfs/dbraw/zinc/37/48/97/587374897.db2.gz PNYYIJUBXKRNGN-QMMMGPOBSA-N 1 2 224.131 1.903 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC000827292547 587375687 /nfs/dbraw/zinc/37/56/87/587375687.db2.gz QXGGHAVOFWGOLD-GXFFZTMASA-N 1 2 234.299 1.509 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC000827292547 587375688 /nfs/dbraw/zinc/37/56/88/587375688.db2.gz QXGGHAVOFWGOLD-GXFFZTMASA-N 1 2 234.299 1.509 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H]1CCOC1)CCN2 ZINC000827558685 587387960 /nfs/dbraw/zinc/38/79/60/587387960.db2.gz BLIXRSIEACRHFM-JTQLQIEISA-N 1 2 247.298 1.185 20 0 BDADLO Cc1c[nH]c(CNC(=O)c2cc(C)c(C)cn2)[nH+]1 ZINC000827582183 587390061 /nfs/dbraw/zinc/39/00/61/587390061.db2.gz ATUMRJDJFDWBAX-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000827612172 587392533 /nfs/dbraw/zinc/39/25/33/587392533.db2.gz DAHJPYDQOMOCKM-VWYCJHECSA-N 1 2 235.331 1.893 20 0 BDADLO c1n[nH]c2c1C[N@H+](C[C@H]1CCC=CO1)CCC2 ZINC000828009912 587416435 /nfs/dbraw/zinc/41/64/35/587416435.db2.gz MNRPWMIMASTCGG-GFCCVEGCSA-N 1 2 233.315 1.851 20 0 BDADLO c1n[nH]c2c1C[N@@H+](C[C@H]1CCC=CO1)CCC2 ZINC000828009912 587416436 /nfs/dbraw/zinc/41/64/36/587416436.db2.gz MNRPWMIMASTCGG-GFCCVEGCSA-N 1 2 233.315 1.851 20 0 BDADLO CSCC[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828230248 587426309 /nfs/dbraw/zinc/42/63/09/587426309.db2.gz JCSJFIZMNPPSEU-VIFPVBQESA-N 1 2 241.360 1.552 20 0 BDADLO Cc1cc(C)nc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000828358916 587438535 /nfs/dbraw/zinc/43/85/35/587438535.db2.gz WUPTZDRVOIIKCM-JTQLQIEISA-N 1 2 229.287 1.847 20 0 BDADLO CCON(CC)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000828733890 587459276 /nfs/dbraw/zinc/45/92/76/587459276.db2.gz OUEDFADETPXSIJ-VOTSOKGWSA-N 1 2 223.276 1.233 20 0 BDADLO CSC(C)(C)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000828773167 587460967 /nfs/dbraw/zinc/46/09/67/587460967.db2.gz BRQWHUSFQNBZJM-SECBINFHSA-N 1 2 230.377 1.291 20 0 BDADLO CSC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000828773167 587460969 /nfs/dbraw/zinc/46/09/69/587460969.db2.gz BRQWHUSFQNBZJM-SECBINFHSA-N 1 2 230.377 1.291 20 0 BDADLO CC(=O)[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000828866527 587467846 /nfs/dbraw/zinc/46/78/46/587467846.db2.gz GHVBFFIQWNSXAR-VXGBXAGGSA-N 1 2 241.331 1.628 20 0 BDADLO CC(=O)[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC000828866527 587467847 /nfs/dbraw/zinc/46/78/47/587467847.db2.gz GHVBFFIQWNSXAR-VXGBXAGGSA-N 1 2 241.331 1.628 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CC23CCC3)c1 ZINC000828944371 587474048 /nfs/dbraw/zinc/47/40/48/587474048.db2.gz IOYWQZDFOUYZQH-PGLGOXFNSA-N 1 2 231.299 1.492 20 0 BDADLO Clc1cc2c(nn1)CN(Cc1[nH]cc[nH+]1)CC2 ZINC000829148477 587485102 /nfs/dbraw/zinc/48/51/02/587485102.db2.gz JFANOHFLTJCKMP-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO C/C=C/C=C\C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829472599 587499314 /nfs/dbraw/zinc/49/93/14/587499314.db2.gz REKIOLCDFXADMM-ICWBMWKASA-N 1 2 246.314 1.399 20 0 BDADLO C/C=C/C=C\C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829472599 587499315 /nfs/dbraw/zinc/49/93/15/587499315.db2.gz REKIOLCDFXADMM-ICWBMWKASA-N 1 2 246.314 1.399 20 0 BDADLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCF ZINC000829660810 587508083 /nfs/dbraw/zinc/50/80/83/587508083.db2.gz FOGSXLBGHNXIRX-LBPRGKRZSA-N 1 2 236.290 1.129 20 0 BDADLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCF ZINC000829660810 587508084 /nfs/dbraw/zinc/50/80/84/587508084.db2.gz FOGSXLBGHNXIRX-LBPRGKRZSA-N 1 2 236.290 1.129 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829916753 587528065 /nfs/dbraw/zinc/52/80/65/587528065.db2.gz LBYJEBBJQCHPRN-JTQLQIEISA-N 1 2 221.304 1.457 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000829948908 587529570 /nfs/dbraw/zinc/52/95/70/587529570.db2.gz KWAIOBTYHVOMGU-UQSGXBNBSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000830008070 587531787 /nfs/dbraw/zinc/53/17/87/587531787.db2.gz KZFGWCFLOOACEB-GVEAKHFQSA-N 1 2 245.326 1.594 20 0 BDADLO C[C@@H]1COC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830223821 587542099 /nfs/dbraw/zinc/54/20/99/587542099.db2.gz VFSHFVURDRIZHV-PELKAZGASA-N 1 2 245.282 1.328 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000830397430 587549416 /nfs/dbraw/zinc/54/94/16/587549416.db2.gz HDYFHCBAJJUHER-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000830397430 587549417 /nfs/dbraw/zinc/54/94/17/587549417.db2.gz HDYFHCBAJJUHER-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000831205287 587591949 /nfs/dbraw/zinc/59/19/49/587591949.db2.gz ULELCSMMMMHAMK-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO CO[C@H]1C[C@H]([NH2+]CC(=O)OCC(C)C)C1(C)C ZINC000831337937 587598525 /nfs/dbraw/zinc/59/85/25/587598525.db2.gz CEFDITKPMHOWIK-QWRGUYRKSA-N 1 2 243.347 1.589 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1OC2CCC1CC2 ZINC000831503200 587614865 /nfs/dbraw/zinc/61/48/65/587614865.db2.gz GZTAQTLBGFCRCI-UHFFFAOYSA-N 1 2 221.260 1.037 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC12CCCCC2 ZINC000831607291 587623447 /nfs/dbraw/zinc/62/34/47/587623447.db2.gz LIHCXAHBZOTDKK-SNVBAGLBSA-N 1 2 233.315 1.791 20 0 BDADLO CC1=NO[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000831607252 587623480 /nfs/dbraw/zinc/62/34/80/587623480.db2.gz KRHDCDXVTHGBKC-UWVGGRQHSA-N 1 2 248.286 1.238 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831726374 587629256 /nfs/dbraw/zinc/62/92/56/587629256.db2.gz BPNORAKDFQFYGE-SECBINFHSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000831739061 587629678 /nfs/dbraw/zinc/62/96/78/587629678.db2.gz PZBQOUPNDWHDRC-WDEREUQCSA-N 1 2 248.330 1.769 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000832165273 587647484 /nfs/dbraw/zinc/64/74/84/587647484.db2.gz QQZUQNRAFCUANM-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H](CCC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832309445 587653647 /nfs/dbraw/zinc/65/36/47/587653647.db2.gz YNQCGRKPNRJDGS-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CSCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832444186 587660425 /nfs/dbraw/zinc/66/04/25/587660425.db2.gz NTRNHWYUOYGOPN-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000832569611 587667284 /nfs/dbraw/zinc/66/72/84/587667284.db2.gz FQKCWZIGQGRULV-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833300699 587705510 /nfs/dbraw/zinc/70/55/10/587705510.db2.gz QIBWUIRWXBOITO-ZJUUUORDSA-N 1 2 221.304 1.880 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC1CCC1 ZINC000834313298 587751127 /nfs/dbraw/zinc/75/11/27/587751127.db2.gz HRHHIHKDJXUDAR-UHFFFAOYSA-N 1 2 221.304 1.567 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c[nH+]1 ZINC000834401389 587754603 /nfs/dbraw/zinc/75/46/03/587754603.db2.gz IHQHSUYKMFPMNM-NHCYSSNCSA-N 1 2 249.314 1.406 20 0 BDADLO CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834759709 587765964 /nfs/dbraw/zinc/76/59/64/587765964.db2.gz LHORQWCJRWDOAL-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000835193621 587788413 /nfs/dbraw/zinc/78/84/13/587788413.db2.gz MOWRVUMZFMMZTG-PSASIEDQSA-N 1 2 208.261 1.509 20 0 BDADLO CCc1cccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000835350265 587797904 /nfs/dbraw/zinc/79/79/04/587797904.db2.gz OPYQDNADEVUDAG-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CC1(F)F ZINC000835372443 587798566 /nfs/dbraw/zinc/79/85/66/587798566.db2.gz UYMFIYYSUNABKN-YUMQZZPRSA-N 1 2 237.221 1.229 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CC1(F)F ZINC000835372443 587798567 /nfs/dbraw/zinc/79/85/67/587798567.db2.gz UYMFIYYSUNABKN-YUMQZZPRSA-N 1 2 237.221 1.229 20 0 BDADLO CCC(CC)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836196225 587828510 /nfs/dbraw/zinc/82/85/10/587828510.db2.gz GJGGEXXNJHCFLL-SNVBAGLBSA-N 1 2 236.319 1.816 20 0 BDADLO CCn1c(C)nn(C[NH+]2CCCC2)c1=S ZINC000102388414 587829403 /nfs/dbraw/zinc/82/94/03/587829403.db2.gz BBYVDXMZKTTZQX-UHFFFAOYSA-N 1 2 226.349 1.796 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836414694 587832926 /nfs/dbraw/zinc/83/29/26/587832926.db2.gz ADFBNIWMVMSLFE-OUAUKWLOSA-N 1 2 248.330 1.816 20 0 BDADLO CC[C@H](CO)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104688 587853718 /nfs/dbraw/zinc/85/37/18/587853718.db2.gz JKOJRJHVVZWZRI-LLVKDONJSA-N 1 2 236.315 1.333 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000837545030 587881042 /nfs/dbraw/zinc/88/10/42/587881042.db2.gz IGMHKRSTBSGSAW-ZETCQYMHSA-N 1 2 242.216 1.096 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC000837545030 587881043 /nfs/dbraw/zinc/88/10/43/587881043.db2.gz IGMHKRSTBSGSAW-ZETCQYMHSA-N 1 2 242.216 1.096 20 0 BDADLO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)nc1 ZINC000837715414 587892003 /nfs/dbraw/zinc/89/20/03/587892003.db2.gz BLKLDAFPHQBUFA-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO C[C@H]1CC/C(=C/C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000837716751 587892375 /nfs/dbraw/zinc/89/23/75/587892375.db2.gz FALIHMNYGHPFIZ-LCFDYFRESA-N 1 2 247.342 1.825 20 0 BDADLO Cn1ccnc1[C@H]1[N@H+](C[C@H](O)C2CC2)CC1(C)C ZINC000840768724 587920930 /nfs/dbraw/zinc/92/09/30/587920930.db2.gz PFAIXZQNJAKFHR-NWDGAFQWSA-N 1 2 249.358 1.574 20 0 BDADLO Cn1ccnc1[C@H]1[N@@H+](C[C@H](O)C2CC2)CC1(C)C ZINC000840768724 587920931 /nfs/dbraw/zinc/92/09/31/587920931.db2.gz PFAIXZQNJAKFHR-NWDGAFQWSA-N 1 2 249.358 1.574 20 0 BDADLO C[C@H]1C[C@@]2(CCO1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840818210 587923172 /nfs/dbraw/zinc/92/31/72/587923172.db2.gz MOPCZWFBLDILOB-GWCFXTLKSA-N 1 2 238.331 1.256 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCc1cscn1 ZINC000842025382 587989885 /nfs/dbraw/zinc/98/98/85/587989885.db2.gz OPIANTDXOZJFIH-UHFFFAOYSA-N 1 2 243.332 1.609 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCC1CCOCC1 ZINC000842036616 587991907 /nfs/dbraw/zinc/99/19/07/587991907.db2.gz NNBXWJWEJDVESN-VIFPVBQESA-N 1 2 230.308 1.336 20 0 BDADLO COc1ncccc1CO[NH+]=C(N)[C@H](C)OC ZINC000842035900 587992234 /nfs/dbraw/zinc/99/22/34/587992234.db2.gz GJQOJSROSIRCOR-QMMMGPOBSA-N 1 2 239.275 1.124 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000842046478 587992526 /nfs/dbraw/zinc/99/25/26/587992526.db2.gz JHBVNKJHYPHIFR-VIFPVBQESA-N 1 2 240.278 1.638 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000842162982 588005281 /nfs/dbraw/zinc/00/52/81/588005281.db2.gz DCLUGSRMYNDPOJ-CSMHCCOUSA-N 1 2 221.247 1.571 20 0 BDADLO CC(C)O[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655342 588049850 /nfs/dbraw/zinc/04/98/50/588049850.db2.gz FCPVFSYMIPLLRQ-SECBINFHSA-N 1 2 216.281 1.089 20 0 BDADLO CCCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842661298 588050815 /nfs/dbraw/zinc/05/08/15/588050815.db2.gz MUZAARWBLVPBNO-SNVBAGLBSA-N 1 2 230.308 1.338 20 0 BDADLO CC(C)Cn1nccc1C[NH2+]Cc1ccon1 ZINC000842686407 588052034 /nfs/dbraw/zinc/05/20/34/588052034.db2.gz HAJYFVCSOBERES-UHFFFAOYSA-N 1 2 234.303 1.817 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC1CCCC1 ZINC000842687016 588052243 /nfs/dbraw/zinc/05/22/43/588052243.db2.gz NOBKCKKRJWNSHB-DCAQKATOSA-N 1 2 241.331 1.628 20 0 BDADLO CC(C)C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842890790 588071018 /nfs/dbraw/zinc/07/10/18/588071018.db2.gz MDPGNFIGHMEQBT-UHFFFAOYSA-N 1 2 234.299 1.717 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cncs2)n1 ZINC000843141538 588086376 /nfs/dbraw/zinc/08/63/76/588086376.db2.gz OSJGWFDYSLBMEJ-UHFFFAOYSA-N 1 2 224.289 1.226 20 0 BDADLO CC[NH2+]Cc1noc(CN(C)c2ccccc2)n1 ZINC000843144725 588086492 /nfs/dbraw/zinc/08/64/92/588086492.db2.gz XFKSBTSYTWOUGL-UHFFFAOYSA-N 1 2 246.314 1.816 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)C1(C(F)F)CC1 ZINC000843601904 588128526 /nfs/dbraw/zinc/12/85/26/588128526.db2.gz PEFIPSHDLGHITE-ZETCQYMHSA-N 1 2 241.241 1.489 20 0 BDADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(F)CC1 ZINC000843788484 588140335 /nfs/dbraw/zinc/14/03/35/588140335.db2.gz DSDSKBNSWKHHIA-JTQLQIEISA-N 1 2 237.278 1.549 20 0 BDADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(F)CC1 ZINC000843788485 588140386 /nfs/dbraw/zinc/14/03/86/588140386.db2.gz DSDSKBNSWKHHIA-SNVBAGLBSA-N 1 2 237.278 1.549 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC(=O)C1 ZINC000843794809 588140946 /nfs/dbraw/zinc/14/09/46/588140946.db2.gz BVXZBQFXPZOJPR-SECBINFHSA-N 1 2 243.266 1.642 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(C(F)F)CC1 ZINC000843850834 588145190 /nfs/dbraw/zinc/14/51/90/588145190.db2.gz FIWABDMWYMEGQT-UHFFFAOYSA-N 1 2 243.257 1.124 20 0 BDADLO COC/C(C)=C/C(=O)Nc1ccc[nH+]c1N(C)C ZINC000844327076 588185275 /nfs/dbraw/zinc/18/52/75/588185275.db2.gz MJSBQBIEZPPBCJ-CSKARUKUSA-N 1 2 249.314 1.679 20 0 BDADLO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)OCC(C)C ZINC000844374298 588188319 /nfs/dbraw/zinc/18/83/19/588188319.db2.gz GDZGSMDRBZTXNB-NWDGAFQWSA-N 1 2 245.363 1.572 20 0 BDADLO Cc1nonc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844411183 588190826 /nfs/dbraw/zinc/19/08/26/588190826.db2.gz VNBHCDFGMFKBDM-UHFFFAOYSA-N 1 2 243.257 1.999 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844450412 588194956 /nfs/dbraw/zinc/19/49/56/588194956.db2.gz LFTUSDWXZIIOTH-OCAPTIKFSA-N 1 2 243.257 1.890 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844450412 588194957 /nfs/dbraw/zinc/19/49/57/588194957.db2.gz LFTUSDWXZIIOTH-OCAPTIKFSA-N 1 2 243.257 1.890 20 0 BDADLO COCC(C)=CC(=O)Nc1cc[nH+]c(C)c1 ZINC000844466144 588197730 /nfs/dbraw/zinc/19/77/30/588197730.db2.gz YMPUBYPWXZYYDI-TWGQIWQCSA-N 1 2 220.272 1.343 20 0 BDADLO O=C(C[C@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c21 ZINC000844552005 588201961 /nfs/dbraw/zinc/20/19/61/588201961.db2.gz IUFNTQXMXFVORY-NXEZZACHSA-N 1 2 235.287 1.013 20 0 BDADLO Cc1nn(C[N@H+](C)CCC(C)(C)C)c(=O)n1C ZINC000844710511 588214623 /nfs/dbraw/zinc/21/46/23/588214623.db2.gz XRYXJXWKAPMUCC-UHFFFAOYSA-N 1 2 240.351 1.216 20 0 BDADLO Cc1nn(C[N@@H+](C)CCC(C)(C)C)c(=O)n1C ZINC000844710511 588214624 /nfs/dbraw/zinc/21/46/24/588214624.db2.gz XRYXJXWKAPMUCC-UHFFFAOYSA-N 1 2 240.351 1.216 20 0 BDADLO COC/C(C)=C\C(=O)OCCCn1cc[nH+]c1 ZINC000845242110 588224593 /nfs/dbraw/zinc/22/45/93/588224593.db2.gz GGZGWVNFUYKHTB-FLIBITNWSA-N 1 2 238.287 1.409 20 0 BDADLO C[C@H](CC(=O)OC[C@H]1CCCO1)n1cc[nH+]c1 ZINC000845278457 588225270 /nfs/dbraw/zinc/22/52/70/588225270.db2.gz GGPNWVYOHGYMDE-GHMZBOCLSA-N 1 2 238.287 1.556 20 0 BDADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)n1cc[nH+]c1 ZINC000845282022 588225549 /nfs/dbraw/zinc/22/55/49/588225549.db2.gz LBBUAMZCZVVYAZ-NSHDSACASA-N 1 2 248.286 1.274 20 0 BDADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)n1ccnc1 ZINC000845282022 588225550 /nfs/dbraw/zinc/22/55/50/588225550.db2.gz LBBUAMZCZVVYAZ-NSHDSACASA-N 1 2 248.286 1.274 20 0 BDADLO C[C@@H](CC(=O)OCCn1ccnc1)n1cc[nH+]c1 ZINC000845282022 588225551 /nfs/dbraw/zinc/22/55/51/588225551.db2.gz LBBUAMZCZVVYAZ-NSHDSACASA-N 1 2 248.286 1.274 20 0 BDADLO C[C@@H](CC(=O)O[C@H]1CCOC1)n1cc[nH+]c1 ZINC000845284449 588225723 /nfs/dbraw/zinc/22/57/23/588225723.db2.gz BWULCBFGYJNSMS-UWVGGRQHSA-N 1 2 224.260 1.166 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cc2cnccc2o1 ZINC000845912156 588250351 /nfs/dbraw/zinc/25/03/51/588250351.db2.gz OMMODCUZUFIBCX-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cc2cnccc2o1 ZINC000845912156 588250352 /nfs/dbraw/zinc/25/03/52/588250352.db2.gz OMMODCUZUFIBCX-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO COC1C[NH+](Cc2cc3cnccc3o2)C1 ZINC000845981680 588252642 /nfs/dbraw/zinc/25/26/42/588252642.db2.gz LRMOMAZVHHVXAJ-UHFFFAOYSA-N 1 2 218.256 1.658 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000846090018 588256417 /nfs/dbraw/zinc/25/64/17/588256417.db2.gz BSIIBPZNMZPKHM-HBNTYKKESA-N 1 2 228.336 1.468 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000846116815 588257933 /nfs/dbraw/zinc/25/79/33/588257933.db2.gz KCVUDWRDLUAKAF-JTQLQIEISA-N 1 2 242.273 1.529 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000846116815 588257934 /nfs/dbraw/zinc/25/79/34/588257934.db2.gz KCVUDWRDLUAKAF-JTQLQIEISA-N 1 2 242.273 1.529 20 0 BDADLO CS/C=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244891 588262508 /nfs/dbraw/zinc/26/25/08/588262508.db2.gz PUAVPVNGBFTFPS-QPJJXVBHSA-N 1 2 225.317 1.638 20 0 BDADLO C[C@H](Cn1cncn1)Nc1ccc([NH+](C)C)cc1 ZINC000846747393 588284435 /nfs/dbraw/zinc/28/44/35/588284435.db2.gz HGHUGAFSGBFXAB-LLVKDONJSA-N 1 2 245.330 1.845 20 0 BDADLO COC(=O)C1(C2=CSC3=[NH+]CCN23)CC1 ZINC000846759699 588286318 /nfs/dbraw/zinc/28/63/18/588286318.db2.gz XBOCHRVBTSCOID-UHFFFAOYSA-N 1 2 224.285 1.199 20 0 BDADLO CCCCC[N@H+](CCO)Cc1cnsn1 ZINC000846805521 588289468 /nfs/dbraw/zinc/28/94/68/588289468.db2.gz XXNIOWQBKFXZCJ-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1cnsn1 ZINC000846805521 588289469 /nfs/dbraw/zinc/28/94/69/588289469.db2.gz XXNIOWQBKFXZCJ-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO c1nsnc1C[N@@H+]1CCC2(CCC2)C1 ZINC000846814748 588289639 /nfs/dbraw/zinc/28/96/39/588289639.db2.gz FYPRIMXLKBTVHR-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO c1nsnc1C[N@H+]1CCC2(CCC2)C1 ZINC000846814748 588289640 /nfs/dbraw/zinc/28/96/40/588289640.db2.gz FYPRIMXLKBTVHR-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000846815699 588290867 /nfs/dbraw/zinc/29/08/67/588290867.db2.gz RZOBEVJOCKTBLY-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000846815699 588290868 /nfs/dbraw/zinc/29/08/68/588290868.db2.gz RZOBEVJOCKTBLY-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1cnsn1 ZINC000846834602 588291815 /nfs/dbraw/zinc/29/18/15/588291815.db2.gz QALWMVZHMUUSCO-UHFFFAOYSA-N 1 2 240.357 1.669 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1cnsn1 ZINC000846834602 588291816 /nfs/dbraw/zinc/29/18/16/588291816.db2.gz QALWMVZHMUUSCO-UHFFFAOYSA-N 1 2 240.357 1.669 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1cnsn1 ZINC000846850648 588292974 /nfs/dbraw/zinc/29/29/74/588292974.db2.gz QTTNQDPMWYDDHB-LBPRGKRZSA-N 1 2 249.339 1.670 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2cnsn2)CC1 ZINC000846882324 588295329 /nfs/dbraw/zinc/29/53/29/588295329.db2.gz BRCYSXLDXZLXGY-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846882324 588295330 /nfs/dbraw/zinc/29/53/30/588295330.db2.gz BRCYSXLDXZLXGY-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO BrC1(C[N@H+](C2CC2)C2COC2)CC1 ZINC000846927634 588297017 /nfs/dbraw/zinc/29/70/17/588297017.db2.gz FXQUGYSIZAGIKH-UHFFFAOYSA-N 1 2 246.148 1.777 20 0 BDADLO BrC1(C[N@@H+](C2CC2)C2COC2)CC1 ZINC000846927634 588297018 /nfs/dbraw/zinc/29/70/18/588297018.db2.gz FXQUGYSIZAGIKH-UHFFFAOYSA-N 1 2 246.148 1.777 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(CC1CC1)C1CCC1 ZINC000846949812 588298305 /nfs/dbraw/zinc/29/83/05/588298305.db2.gz JWQVKLDZQLLFKE-UHFFFAOYSA-N 1 2 233.315 1.743 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000846958673 588298631 /nfs/dbraw/zinc/29/86/31/588298631.db2.gz JDZFCBHOEJUPMC-GARJFASQSA-N 1 2 243.347 1.467 20 0 BDADLO CCOC(C[N@H+](CC)[C@H]1CCOC1=O)OCC ZINC000846970134 588299182 /nfs/dbraw/zinc/29/91/82/588299182.db2.gz KEYQKLSVEFLJPZ-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO CCOC(C[N@@H+](CC)[C@H]1CCOC1=O)OCC ZINC000846970134 588299183 /nfs/dbraw/zinc/29/91/83/588299183.db2.gz KEYQKLSVEFLJPZ-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cnsn1 ZINC000846998573 588301021 /nfs/dbraw/zinc/30/10/21/588301021.db2.gz YGDBCIZSACCIPO-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cnsn1 ZINC000846998573 588301022 /nfs/dbraw/zinc/30/10/22/588301022.db2.gz YGDBCIZSACCIPO-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H](CO)C1CC[NH+](Cc2cnsn2)CC1 ZINC000847013644 588301637 /nfs/dbraw/zinc/30/16/37/588301637.db2.gz NMKOXCMCSBTCQV-VIFPVBQESA-N 1 2 241.360 1.379 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCC[C@@H](C)O ZINC000847063555 588305578 /nfs/dbraw/zinc/30/55/78/588305578.db2.gz QUNMSZSGNCIRQM-LLVKDONJSA-N 1 2 245.363 1.859 20 0 BDADLO C=C=CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848113979 588357113 /nfs/dbraw/zinc/35/71/13/588357113.db2.gz NWFZMRWCFCDNNK-SECBINFHSA-N 1 2 205.261 1.046 20 0 BDADLO C=C=CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848113979 588357114 /nfs/dbraw/zinc/35/71/14/588357114.db2.gz NWFZMRWCFCDNNK-SECBINFHSA-N 1 2 205.261 1.046 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](O)CC(C)C ZINC000848659961 588404166 /nfs/dbraw/zinc/40/41/66/588404166.db2.gz YXZQGNPTHCLPRY-JTQLQIEISA-N 1 2 239.319 1.613 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OCCF)ccn12 ZINC000848782725 588413594 /nfs/dbraw/zinc/41/35/94/588413594.db2.gz MTACSKWDURBTFF-UHFFFAOYSA-N 1 2 222.219 1.769 20 0 BDADLO CO[C@@H](C)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782699 588413896 /nfs/dbraw/zinc/41/38/96/588413896.db2.gz MOCWDSKIWMUDOF-JTQLQIEISA-N 1 2 248.282 1.834 20 0 BDADLO Cn1c(C[NH+]2CC(C(C)(C)O)C2)cnc1Cl ZINC000848917239 588420979 /nfs/dbraw/zinc/42/09/79/588420979.db2.gz QCUORFLMJBLCBD-UHFFFAOYSA-N 1 2 243.738 1.276 20 0 BDADLO CCOCc1cn(-c2ccc([NH+](C)C)cc2)nn1 ZINC000849146905 588455874 /nfs/dbraw/zinc/45/58/74/588455874.db2.gz YROMEABVGKLYBG-UHFFFAOYSA-N 1 2 246.314 1.870 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C=CCC1 ZINC000849225990 588463014 /nfs/dbraw/zinc/46/30/14/588463014.db2.gz JUDCWZWFKGQUKP-WDEREUQCSA-N 1 2 234.303 1.289 20 0 BDADLO CCCN(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000849407949 588477185 /nfs/dbraw/zinc/47/71/85/588477185.db2.gz QXSWUPQDMKIHDF-UHFFFAOYSA-N 1 2 210.281 1.303 20 0 BDADLO CCCN(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000849407949 588477186 /nfs/dbraw/zinc/47/71/86/588477186.db2.gz QXSWUPQDMKIHDF-UHFFFAOYSA-N 1 2 210.281 1.303 20 0 BDADLO C[C@H](CC(=O)OCC[C@H](C)O)n1cc[nH+]c1 ZINC000849817397 588503308 /nfs/dbraw/zinc/50/33/08/588503308.db2.gz APMBNALCDLURRI-ZJUUUORDSA-N 1 2 226.276 1.148 20 0 BDADLO CC1(C)CC[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000850069042 588517414 /nfs/dbraw/zinc/51/74/14/588517414.db2.gz JALJCVMACLPJOS-NSHDSACASA-N 1 2 241.331 1.298 20 0 BDADLO COc1cccc(NCc2cn(C)c[nH+]2)n1 ZINC000850339623 588537529 /nfs/dbraw/zinc/53/75/29/588537529.db2.gz AZINWBZTIOSLIH-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2cocn2)c2ccccc21 ZINC000850374175 588541707 /nfs/dbraw/zinc/54/17/07/588541707.db2.gz KPHXZEXJWLVISR-STQMWFEESA-N 1 2 230.267 1.943 20 0 BDADLO CSC(C)(C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000851630121 588612008 /nfs/dbraw/zinc/61/20/08/588612008.db2.gz CJVLUYUHKHLWCK-UHFFFAOYSA-N 1 2 225.317 1.744 20 0 BDADLO Cc1cccc(OCC[N@@H+](C)Cc2cnon2)c1 ZINC000851717688 588616498 /nfs/dbraw/zinc/61/64/98/588616498.db2.gz NSDGHBBGQBMLQZ-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1cccc(OCC[N@H+](C)Cc2cnon2)c1 ZINC000851717688 588616499 /nfs/dbraw/zinc/61/64/99/588616499.db2.gz NSDGHBBGQBMLQZ-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO CCC[N@@H+](CC(=O)OC)C[C@@H]1COC(C)(C)O1 ZINC000851729450 588618940 /nfs/dbraw/zinc/61/89/40/588618940.db2.gz AKJUVLGUILZAFI-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO CCC[N@H+](CC(=O)OC)C[C@@H]1COC(C)(C)O1 ZINC000851729450 588618941 /nfs/dbraw/zinc/61/89/41/588618941.db2.gz AKJUVLGUILZAFI-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@H](O)c1ccccn1 ZINC000851734755 588620269 /nfs/dbraw/zinc/62/02/69/588620269.db2.gz MVDXYOJXAUVJSE-GFCCVEGCSA-N 1 2 249.339 1.704 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@H](O)c1ccccn1 ZINC000851734755 588620270 /nfs/dbraw/zinc/62/02/70/588620270.db2.gz MVDXYOJXAUVJSE-GFCCVEGCSA-N 1 2 249.339 1.704 20 0 BDADLO C[N@H+](Cc1cnon1)[C@H](CO)c1ccccc1 ZINC000851751899 588623508 /nfs/dbraw/zinc/62/35/08/588623508.db2.gz YIIWPGYDZXCHIV-GFCCVEGCSA-N 1 2 233.271 1.235 20 0 BDADLO C[N@@H+](Cc1cnon1)[C@H](CO)c1ccccc1 ZINC000851751899 588623509 /nfs/dbraw/zinc/62/35/09/588623509.db2.gz YIIWPGYDZXCHIV-GFCCVEGCSA-N 1 2 233.271 1.235 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851778791 588627022 /nfs/dbraw/zinc/62/70/22/588627022.db2.gz IVTLHFLVKUVGPP-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851778791 588627023 /nfs/dbraw/zinc/62/70/23/588627023.db2.gz IVTLHFLVKUVGPP-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000851790863 588629223 /nfs/dbraw/zinc/62/92/23/588629223.db2.gz QFEWLZSZYIEHMZ-UHFFFAOYSA-N 1 2 220.320 1.613 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC2(CCCC2)C1 ZINC000851790863 588629224 /nfs/dbraw/zinc/62/92/24/588629224.db2.gz QFEWLZSZYIEHMZ-UHFFFAOYSA-N 1 2 220.320 1.613 20 0 BDADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cnon1 ZINC000851808138 588631733 /nfs/dbraw/zinc/63/17/33/588631733.db2.gz KRYRLKSVNATOFB-UHFFFAOYSA-N 1 2 241.291 1.233 20 0 BDADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cnon1 ZINC000851808138 588631734 /nfs/dbraw/zinc/63/17/34/588631734.db2.gz KRYRLKSVNATOFB-UHFFFAOYSA-N 1 2 241.291 1.233 20 0 BDADLO C[C@H]1CCN(Cc2cnon2)C[C@H]1n1cc[nH+]c1 ZINC000851858652 588635761 /nfs/dbraw/zinc/63/57/61/588635761.db2.gz RTSCMKOBNYOTRI-CMPLNLGQSA-N 1 2 247.302 1.349 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnon1 ZINC000851873249 588637637 /nfs/dbraw/zinc/63/76/37/588637637.db2.gz UJRNOVNXYGXQLS-VIFPVBQESA-N 1 2 218.260 1.658 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnon1 ZINC000851873249 588637638 /nfs/dbraw/zinc/63/76/38/588637638.db2.gz UJRNOVNXYGXQLS-VIFPVBQESA-N 1 2 218.260 1.658 20 0 BDADLO CCCCOC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000851874412 588637988 /nfs/dbraw/zinc/63/79/88/588637988.db2.gz FRTBHWQNEXQGJP-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO COc1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)on1 ZINC000851887216 588640308 /nfs/dbraw/zinc/64/03/08/588640308.db2.gz MVILNSACEAYTQA-JTQLQIEISA-N 1 2 248.286 1.743 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1cnon1 ZINC000851892658 588641231 /nfs/dbraw/zinc/64/12/31/588641231.db2.gz PKUAMNKEWZGPOO-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO OCC[C@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851894704 588641825 /nfs/dbraw/zinc/64/18/25/588641825.db2.gz PGEPQXMAFMNSJV-LBPRGKRZSA-N 1 2 233.271 1.283 20 0 BDADLO COCC[C@@H]([NH2+]Cc1cnon1)c1ccco1 ZINC000851926145 588644706 /nfs/dbraw/zinc/64/47/06/588644706.db2.gz KBUVNPPOPTWXPO-SNVBAGLBSA-N 1 2 237.259 1.530 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CCC1=O ZINC000851952099 588646939 /nfs/dbraw/zinc/64/69/39/588646939.db2.gz IHWQNEKHJNXACD-VHSXEESVSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CCC1=O ZINC000851952099 588646940 /nfs/dbraw/zinc/64/69/40/588646940.db2.gz IHWQNEKHJNXACD-VHSXEESVSA-N 1 2 227.304 1.049 20 0 BDADLO CCn1ncc(C[N@H+]2CC=C(COC)CC2)n1 ZINC000851950656 588647110 /nfs/dbraw/zinc/64/71/10/588647110.db2.gz QWKCTTGXVKTCBC-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1ncc(C[N@@H+]2CC=C(COC)CC2)n1 ZINC000851950656 588647111 /nfs/dbraw/zinc/64/71/11/588647111.db2.gz QWKCTTGXVKTCBC-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO C[C@H](O)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852020072 588655777 /nfs/dbraw/zinc/65/57/77/588655777.db2.gz PYNQEYKUPZYEDA-VIFPVBQESA-N 1 2 241.718 1.224 20 0 BDADLO CCCCOC(=O)CN1CCn2c[nH+]cc2C1 ZINC000852060773 588658448 /nfs/dbraw/zinc/65/84/48/588658448.db2.gz JJEPZDCHOCLQNO-UHFFFAOYSA-N 1 2 237.303 1.042 20 0 BDADLO CCCOC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000852060490 588658692 /nfs/dbraw/zinc/65/86/92/588658692.db2.gz GTQBMZGDUNHLSC-JTQLQIEISA-N 1 2 237.303 1.040 20 0 BDADLO CC(C)C(=O)CCN1CCn2c[nH+]cc2C1 ZINC000852065787 588658801 /nfs/dbraw/zinc/65/88/01/588658801.db2.gz MSAYLIKRYGFCEY-UHFFFAOYSA-N 1 2 221.304 1.314 20 0 BDADLO O=C(CCN1CCn2c[nH+]cc2C1)C1CC1 ZINC000852065772 588658956 /nfs/dbraw/zinc/65/89/56/588658956.db2.gz MKPOMLJAAZVQMN-UHFFFAOYSA-N 1 2 219.288 1.068 20 0 BDADLO C[N@@H+](Cc1cnon1)C[C@H](O)Cc1ccccc1 ZINC000852085230 588660919 /nfs/dbraw/zinc/66/09/19/588660919.db2.gz FWRXIMPXJQBLRT-CYBMUJFWSA-N 1 2 247.298 1.105 20 0 BDADLO C[N@H+](Cc1cnon1)C[C@H](O)Cc1ccccc1 ZINC000852085230 588660920 /nfs/dbraw/zinc/66/09/20/588660920.db2.gz FWRXIMPXJQBLRT-CYBMUJFWSA-N 1 2 247.298 1.105 20 0 BDADLO CC(C)COC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000852120633 588665014 /nfs/dbraw/zinc/66/50/14/588665014.db2.gz VJOMGENFCJEPAT-UHFFFAOYSA-N 1 2 243.347 1.470 20 0 BDADLO c1nonc1C[N@@H+]1CCOCC12CCCCC2 ZINC000852140197 588666574 /nfs/dbraw/zinc/66/65/74/588666574.db2.gz FRYYRPFPHJEVBO-UHFFFAOYSA-N 1 2 237.303 1.605 20 0 BDADLO c1nonc1C[N@H+]1CCOCC12CCCCC2 ZINC000852140197 588666575 /nfs/dbraw/zinc/66/65/75/588666575.db2.gz FRYYRPFPHJEVBO-UHFFFAOYSA-N 1 2 237.303 1.605 20 0 BDADLO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cnon2)C1 ZINC000852172931 588669299 /nfs/dbraw/zinc/66/92/99/588669299.db2.gz WCMNRGDIFKIYTN-STQMWFEESA-N 1 2 245.282 1.378 20 0 BDADLO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cnon2)C1 ZINC000852172931 588669300 /nfs/dbraw/zinc/66/93/00/588669300.db2.gz WCMNRGDIFKIYTN-STQMWFEESA-N 1 2 245.282 1.378 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000852183914 588669962 /nfs/dbraw/zinc/66/99/62/588669962.db2.gz BIBASISBRVYLLH-QMMMGPOBSA-N 1 2 237.130 1.516 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852183914 588669963 /nfs/dbraw/zinc/66/99/63/588669963.db2.gz BIBASISBRVYLLH-QMMMGPOBSA-N 1 2 237.130 1.516 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cnon1 ZINC000852211644 588672488 /nfs/dbraw/zinc/67/24/88/588672488.db2.gz VKMFECAQZYEQIQ-SNVBAGLBSA-N 1 2 225.292 1.459 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cnon1 ZINC000852211644 588672489 /nfs/dbraw/zinc/67/24/89/588672489.db2.gz VKMFECAQZYEQIQ-SNVBAGLBSA-N 1 2 225.292 1.459 20 0 BDADLO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1cscn1 ZINC000852418123 588681640 /nfs/dbraw/zinc/68/16/40/588681640.db2.gz PBAGOFYOMQUCLQ-USYJTPIQSA-N 1 2 240.328 1.913 20 0 BDADLO C[C@@H]([NH2+]CC1OCCO1)c1cscn1 ZINC000852417938 588681860 /nfs/dbraw/zinc/68/18/60/588681860.db2.gz YQWUAPWOGDNPKZ-SSDOTTSWSA-N 1 2 214.290 1.167 20 0 BDADLO COCC[N@H+](CCF)Cc1cn(C)nc1C ZINC000852479651 588683770 /nfs/dbraw/zinc/68/37/70/588683770.db2.gz IERVRDPQSABKBY-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO COCC[N@@H+](CCF)Cc1cn(C)nc1C ZINC000852479651 588683771 /nfs/dbraw/zinc/68/37/71/588683771.db2.gz IERVRDPQSABKBY-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO COCC[N@H+](CCF)Cc1cccc(OC)n1 ZINC000852484255 588684926 /nfs/dbraw/zinc/68/49/26/588684926.db2.gz ZXIQVLBZQJUTCS-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO COCC[N@@H+](CCF)Cc1cccc(OC)n1 ZINC000852484255 588684927 /nfs/dbraw/zinc/68/49/27/588684927.db2.gz ZXIQVLBZQJUTCS-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@@H]2CC2(Cl)Cl)nn1 ZINC000852551906 588689340 /nfs/dbraw/zinc/68/93/40/588689340.db2.gz BAECVZXVWLDABW-ZETCQYMHSA-N 1 2 249.145 1.441 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@@H]2CC2(Cl)Cl)nn1 ZINC000852551906 588689341 /nfs/dbraw/zinc/68/93/41/588689341.db2.gz BAECVZXVWLDABW-ZETCQYMHSA-N 1 2 249.145 1.441 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCOC(F)F ZINC000852578383 588691603 /nfs/dbraw/zinc/69/16/03/588691603.db2.gz LEYDKPXMKPYNOJ-VIFPVBQESA-N 1 2 243.225 1.107 20 0 BDADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C/C=C/Cl ZINC000852632806 588693050 /nfs/dbraw/zinc/69/30/50/588693050.db2.gz IAKDXMLBOCZYJX-MALLOTDXSA-N 1 2 247.722 1.393 20 0 BDADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C/C=C/Cl ZINC000852632806 588693051 /nfs/dbraw/zinc/69/30/51/588693051.db2.gz IAKDXMLBOCZYJX-MALLOTDXSA-N 1 2 247.722 1.393 20 0 BDADLO O=C1CCCC12CC[NH+]([C@H]1CCOC1=O)CC2 ZINC000852632050 588693146 /nfs/dbraw/zinc/69/31/46/588693146.db2.gz PBPCINQPSCFLRL-JTQLQIEISA-N 1 2 237.299 1.137 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cnon1 ZINC000852637421 588693573 /nfs/dbraw/zinc/69/35/73/588693573.db2.gz XIQSZMWDUZNGCX-JTQLQIEISA-N 1 2 237.303 1.603 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cnon1 ZINC000852637421 588693574 /nfs/dbraw/zinc/69/35/74/588693574.db2.gz XIQSZMWDUZNGCX-JTQLQIEISA-N 1 2 237.303 1.603 20 0 BDADLO O=C(CC[N@@H+]1CCc2nccnc2C1)C1CC1 ZINC000852698530 588696684 /nfs/dbraw/zinc/69/66/84/588696684.db2.gz SYEXFNOUVLZBOG-UHFFFAOYSA-N 1 2 231.299 1.204 20 0 BDADLO O=C(CC[N@H+]1CCc2nccnc2C1)C1CC1 ZINC000852698530 588696685 /nfs/dbraw/zinc/69/66/85/588696685.db2.gz SYEXFNOUVLZBOG-UHFFFAOYSA-N 1 2 231.299 1.204 20 0 BDADLO CCn1ncc(C[N@H+](C)CC2=CCSC2)n1 ZINC000852747259 588699336 /nfs/dbraw/zinc/69/93/36/588699336.db2.gz BAKYSINBSSRIPI-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO CCn1ncc(C[N@@H+](C)CC2=CCSC2)n1 ZINC000852747259 588699337 /nfs/dbraw/zinc/69/93/37/588699337.db2.gz BAKYSINBSSRIPI-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C12CC(C1)C2 ZINC000860576047 589106703 /nfs/dbraw/zinc/10/67/03/589106703.db2.gz MIXJWJNNUFBGSV-UHFFFAOYSA-N 1 2 206.245 1.263 20 0 BDADLO O=C(OCC[NH+]1CCC1)c1scnc1Cl ZINC000861386525 589162688 /nfs/dbraw/zinc/16/26/88/589162688.db2.gz DBVJZCPSWLATQF-UHFFFAOYSA-N 1 2 246.719 1.659 20 0 BDADLO O=C(C=C1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000861761095 589176871 /nfs/dbraw/zinc/17/68/71/589176871.db2.gz WYFVIRJCYIPEAF-UHFFFAOYSA-N 1 2 217.272 1.405 20 0 BDADLO O=C(C=C1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000861761095 589176872 /nfs/dbraw/zinc/17/68/72/589176872.db2.gz WYFVIRJCYIPEAF-UHFFFAOYSA-N 1 2 217.272 1.405 20 0 BDADLO CC(C)[C@H](F)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762578 589176951 /nfs/dbraw/zinc/17/69/51/589176951.db2.gz YPGFDEPKYZCGDG-JTQLQIEISA-N 1 2 225.267 1.289 20 0 BDADLO CC(C)[C@H](F)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762578 589176952 /nfs/dbraw/zinc/17/69/52/589176952.db2.gz YPGFDEPKYZCGDG-JTQLQIEISA-N 1 2 225.267 1.289 20 0 BDADLO CC(C(=O)N1CCc2[nH]c[nH+]c2C1)=C1CCC1 ZINC000861763168 589177396 /nfs/dbraw/zinc/17/73/96/589177396.db2.gz LAGAKRKPEPACRK-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO CC(C(=O)N1CCc2[nH+]c[nH]c2C1)=C1CCC1 ZINC000861763168 589177397 /nfs/dbraw/zinc/17/73/97/589177397.db2.gz LAGAKRKPEPACRK-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO CCO[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000861852842 589180519 /nfs/dbraw/zinc/18/05/19/589180519.db2.gz LHMSTYLPROMYAZ-GHMZBOCLSA-N 1 2 249.314 1.259 20 0 BDADLO CCCONC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000862104285 589192095 /nfs/dbraw/zinc/19/20/95/589192095.db2.gz VRDXRXZWLCLPEG-SNVBAGLBSA-N 1 2 237.303 1.212 20 0 BDADLO COC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000862155904 589193029 /nfs/dbraw/zinc/19/30/29/589193029.db2.gz ZATBLLIIMCCBOJ-UHFFFAOYSA-N 1 2 235.287 1.538 20 0 BDADLO Cc1c(F)nccc1C[NH2+]Cc1cc[nH]n1 ZINC000862265376 589198167 /nfs/dbraw/zinc/19/81/67/589198167.db2.gz IDRFJRQJCPFOMW-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO COCC1(C)C[NH+](Cc2ccnc(F)c2)C1 ZINC000862390427 589208062 /nfs/dbraw/zinc/20/80/62/589208062.db2.gz WTECVORKYMJZRA-UHFFFAOYSA-N 1 2 224.279 1.689 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)nn1 ZINC000862530679 589218247 /nfs/dbraw/zinc/21/82/47/589218247.db2.gz QIYVKWVXMANKJY-GFCCVEGCSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)nn1 ZINC000862530679 589218248 /nfs/dbraw/zinc/21/82/48/589218248.db2.gz QIYVKWVXMANKJY-GFCCVEGCSA-N 1 2 239.294 1.345 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc(C)s2)C1 ZINC000864053693 589336006 /nfs/dbraw/zinc/33/60/06/589336006.db2.gz MSGVVAHOJJQCFO-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(C)s2)C1 ZINC000864053693 589336007 /nfs/dbraw/zinc/33/60/07/589336007.db2.gz MSGVVAHOJJQCFO-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)C[C@H]2C[C@H]2C1 ZINC000864079099 589341185 /nfs/dbraw/zinc/34/11/85/589341185.db2.gz QRFSUJUZNFFRRR-IWIIMEHWSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH+]c[nH]2)C[C@H]2C[C@H]2C1 ZINC000864079099 589341188 /nfs/dbraw/zinc/34/11/88/589341188.db2.gz QRFSUJUZNFFRRR-IWIIMEHWSA-N 1 2 233.315 1.505 20 0 BDADLO CCCCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864793785 589394643 /nfs/dbraw/zinc/39/46/43/589394643.db2.gz BBWBYZQCBPPSJO-NSHDSACASA-N 1 2 237.303 1.234 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864866297 589398843 /nfs/dbraw/zinc/39/88/43/589398843.db2.gz AORULAVGCHTBLB-WPRPVWTQSA-N 1 2 225.292 1.090 20 0 BDADLO CC/C=C(\F)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000865122710 589409709 /nfs/dbraw/zinc/40/97/09/589409709.db2.gz GJPYFEKJMORVQU-WCIBSUBMSA-N 1 2 244.310 1.040 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=S)NC(C)(C)C ZINC000865262986 589417041 /nfs/dbraw/zinc/41/70/41/589417041.db2.gz ZMUGWYRHXXJKGC-UHFFFAOYSA-N 1 2 226.349 1.515 20 0 BDADLO CC(=O)c1cccc(NCCn2cc[nH+]c2)n1 ZINC000865409355 589433795 /nfs/dbraw/zinc/43/37/95/589433795.db2.gz FVCBGQJLSINXFU-UHFFFAOYSA-N 1 2 230.271 1.593 20 0 BDADLO Fc1ccc(NCCCNc2cccc[nH+]2)nn1 ZINC000865447234 589436585 /nfs/dbraw/zinc/43/65/85/589436585.db2.gz NKOSJAUDJBQGNA-UHFFFAOYSA-N 1 2 247.277 1.925 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc(CC)n[nH]2)nn1 ZINC000865463171 589438120 /nfs/dbraw/zinc/43/81/20/589438120.db2.gz XKTZQEMWGWARCV-UHFFFAOYSA-N 1 2 248.334 1.263 20 0 BDADLO Cc1c(NCc2cn(C3CC3)c[nH+]2)cnn1C ZINC000865520573 589442675 /nfs/dbraw/zinc/44/26/75/589442675.db2.gz UEDANKMJLGYFFU-UHFFFAOYSA-N 1 2 231.303 1.872 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H](CCO)C2CC2)[nH+]c1 ZINC000865551266 589445664 /nfs/dbraw/zinc/44/56/64/589445664.db2.gz AXJBNZFAXLNVQU-SKDRFNHKSA-N 1 2 236.315 1.708 20 0 BDADLO O=c1ccc(C[NH2+]C(CF)CF)c[nH]1 ZINC000865583811 589449348 /nfs/dbraw/zinc/44/93/48/589449348.db2.gz WCAMSUQXRJUAGD-UHFFFAOYSA-N 1 2 202.204 1.184 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865716633 589458298 /nfs/dbraw/zinc/45/82/98/589458298.db2.gz CCCRAZKATFIYHJ-LPEHRKFASA-N 1 2 224.304 1.970 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865819099 589463325 /nfs/dbraw/zinc/46/33/25/589463325.db2.gz CCCRAZKATFIYHJ-KXUCPTDWSA-N 1 2 224.304 1.970 20 0 BDADLO CCn1c[nH+]cc1CNc1ccn(CCF)n1 ZINC000865835576 589463893 /nfs/dbraw/zinc/46/38/93/589463893.db2.gz AXWNLJVEDPFGJG-UHFFFAOYSA-N 1 2 237.282 1.681 20 0 BDADLO CCCNc1cc(N2CC[C@@H](O)[C@H]2C)nc[nH+]1 ZINC000865861893 589465738 /nfs/dbraw/zinc/46/57/38/589465738.db2.gz XWWQNAIVNUPOOS-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CCCNc1cc(N2CC[C@@H](O)[C@H]2C)[nH+]cn1 ZINC000865861893 589465739 /nfs/dbraw/zinc/46/57/39/589465739.db2.gz XWWQNAIVNUPOOS-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@H](C(=O)OCC1CCC1)[NH+]1CCSCC1 ZINC000120794056 589466360 /nfs/dbraw/zinc/46/63/60/589466360.db2.gz IDKUDUFJQMTDGQ-SNVBAGLBSA-N 1 2 243.372 1.767 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC=C(Cl)C1 ZINC000865905297 589468037 /nfs/dbraw/zinc/46/80/37/589468037.db2.gz FGBQHLVZAAYBAX-UHFFFAOYSA-N 1 2 249.705 1.696 20 0 BDADLO CON(C)CCNc1cc(CC(C)C)[nH+]cn1 ZINC000865923244 589468652 /nfs/dbraw/zinc/46/86/52/589468652.db2.gz KVZRIONWFUKOQM-UHFFFAOYSA-N 1 2 238.335 1.580 20 0 BDADLO CC[C@@H](O)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865942402 589469503 /nfs/dbraw/zinc/46/95/03/589469503.db2.gz ROLYFDCXXMRXQJ-LLVKDONJSA-N 1 2 223.320 1.858 20 0 BDADLO CC/C=C(\F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000866002231 589471991 /nfs/dbraw/zinc/47/19/91/589471991.db2.gz PLIRFLOLYOMBDL-BJIOATRMSA-N 1 2 239.294 1.899 20 0 BDADLO CC(C)c1nc(N[C@@H]2COCC[C@H]2O)cc[nH+]1 ZINC000866119352 589477438 /nfs/dbraw/zinc/47/74/38/589477438.db2.gz XBLOATXEDAJDRI-NXEZZACHSA-N 1 2 237.303 1.162 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)nn1C ZINC000866612805 589504715 /nfs/dbraw/zinc/50/47/15/589504715.db2.gz BSVJBESBEPMDCG-GHMZBOCLSA-N 1 2 247.346 1.874 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866823254 589519556 /nfs/dbraw/zinc/51/95/56/589519556.db2.gz KJFHQSJURBZKPA-MMEMACFNSA-N 1 2 237.278 1.647 20 0 BDADLO CCC=C(F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000866823254 589519558 /nfs/dbraw/zinc/51/95/58/589519558.db2.gz KJFHQSJURBZKPA-MMEMACFNSA-N 1 2 237.278 1.647 20 0 BDADLO CC[C@@H](NC(=O)/C=C/COC)c1[nH]cc[nH+]1 ZINC000867457379 589520469 /nfs/dbraw/zinc/52/04/69/589520469.db2.gz GKNGQHOGFDVUIF-XNPJLODASA-N 1 2 223.276 1.180 20 0 BDADLO CC[C@@H](NC(=O)C=CCOC)c1[nH]cc[nH+]1 ZINC000867457379 589520471 /nfs/dbraw/zinc/52/04/71/589520471.db2.gz GKNGQHOGFDVUIF-XNPJLODASA-N 1 2 223.276 1.180 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000868426845 589557924 /nfs/dbraw/zinc/55/79/24/589557924.db2.gz LCMWKNFOIYGPFL-VPOLOUISSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000868426845 589557926 /nfs/dbraw/zinc/55/79/26/589557926.db2.gz LCMWKNFOIYGPFL-VPOLOUISSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000868525293 589562967 /nfs/dbraw/zinc/56/29/67/589562967.db2.gz SGPSPWIQUMHHNA-NXEZZACHSA-N 1 2 236.319 1.740 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(C1CCC1)C1CCC1 ZINC000868536343 589563241 /nfs/dbraw/zinc/56/32/41/589563241.db2.gz MEZRVQLNNMXZIV-GFCCVEGCSA-N 1 2 249.314 1.377 20 0 BDADLO O=C(CCC1(O)CCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000868620889 589568435 /nfs/dbraw/zinc/56/84/35/589568435.db2.gz LMESLAXYWMTDOZ-JTQLQIEISA-N 1 2 249.314 1.139 20 0 BDADLO CC[C@@H](C)CONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868639559 589569889 /nfs/dbraw/zinc/56/98/89/589569889.db2.gz JHEGGQCAYYEGSK-SECBINFHSA-N 1 2 240.307 1.529 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCC=CO1 ZINC000868677113 589572433 /nfs/dbraw/zinc/57/24/33/589572433.db2.gz GWSNFWPOANQGBD-WDEREUQCSA-N 1 2 249.314 1.773 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCC=CO1 ZINC000868677111 589572719 /nfs/dbraw/zinc/57/27/19/589572719.db2.gz GWSNFWPOANQGBD-MNOVXSKESA-N 1 2 249.314 1.773 20 0 BDADLO CCCCC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000869500788 589609845 /nfs/dbraw/zinc/60/98/45/589609845.db2.gz JZGJJQNSVLHNEL-GFCCVEGCSA-N 1 2 243.347 1.875 20 0 BDADLO COCCCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000122894225 589643007 /nfs/dbraw/zinc/64/30/07/589643007.db2.gz QHCDRLASNDKBFA-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO Cc1conc1C(=O)OCCc1c[nH+]cn1C ZINC000870303847 589657207 /nfs/dbraw/zinc/65/72/07/589657207.db2.gz YNQIUYMBAYYSSV-UHFFFAOYSA-N 1 2 235.243 1.116 20 0 BDADLO FC(F)Cn1ccnc1Cn1cc[nH+]c1 ZINC000871663481 589785248 /nfs/dbraw/zinc/78/52/48/589785248.db2.gz IHMGKOULSYAHLC-UHFFFAOYSA-N 1 2 212.203 1.393 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CCO)nc1Cl ZINC000871742136 589802809 /nfs/dbraw/zinc/80/28/09/589802809.db2.gz KFRRRGOXZSABJK-UHFFFAOYSA-N 1 2 243.694 1.424 20 0 BDADLO NC(COC1CCC1)=[NH+]OCc1ccccn1 ZINC000871775157 589814374 /nfs/dbraw/zinc/81/43/74/589814374.db2.gz IVAANPJXIYVOJF-UHFFFAOYSA-N 1 2 235.287 1.649 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000872129972 589877486 /nfs/dbraw/zinc/87/74/86/589877486.db2.gz CJAZVPHHKRYRCK-KOLCDFICSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000872136078 589879352 /nfs/dbraw/zinc/87/93/52/589879352.db2.gz KTCXYKHVIOMGCK-SECBINFHSA-N 1 2 247.298 1.721 20 0 BDADLO Cc1nonc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000872136642 589879507 /nfs/dbraw/zinc/87/95/07/589879507.db2.gz NQVRZYGGJBULNW-SNVBAGLBSA-N 1 2 247.302 1.279 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2nonc2C)s1 ZINC000872137990 589879951 /nfs/dbraw/zinc/87/99/51/589879951.db2.gz YRANBIJIMVMQCX-ZETCQYMHSA-N 1 2 238.316 1.994 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)Cn2ccc(C)n2)n1 ZINC000872171291 589887727 /nfs/dbraw/zinc/88/77/27/589887727.db2.gz PHCWDBQSROHVBY-VIFPVBQESA-N 1 2 249.318 1.488 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000888596889 589896138 /nfs/dbraw/zinc/89/61/38/589896138.db2.gz FVLDRGJRFLBSQZ-KCJUWKMLSA-N 1 2 236.271 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)COC1CC1 ZINC000888597542 589897967 /nfs/dbraw/zinc/89/79/67/589897967.db2.gz NYSUADDPZFCOBE-UHFFFAOYSA-N 1 2 222.244 1.208 20 0 BDADLO O=C1N(C[N@H+]2CC[C@H](F)C2)CCC12CCCC2 ZINC000872615982 589956689 /nfs/dbraw/zinc/95/66/89/589956689.db2.gz VRXJEXUTGZBAMZ-NSHDSACASA-N 1 2 240.322 1.780 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@H](F)C2)CCC12CCCC2 ZINC000872615982 589956691 /nfs/dbraw/zinc/95/66/91/589956691.db2.gz VRXJEXUTGZBAMZ-NSHDSACASA-N 1 2 240.322 1.780 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000872644836 589958034 /nfs/dbraw/zinc/95/80/34/589958034.db2.gz KJRRSJQWMUPVNI-LLVKDONJSA-N 1 2 244.335 1.233 20 0 BDADLO CCCOC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000872644836 589958035 /nfs/dbraw/zinc/95/80/35/589958035.db2.gz KJRRSJQWMUPVNI-LLVKDONJSA-N 1 2 244.335 1.233 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)nc(N)[nH+]1 ZINC000872696167 589962419 /nfs/dbraw/zinc/96/24/19/589962419.db2.gz MSWWBOWWEUKYAF-UTLUCORTSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)[nH+]1 ZINC000872696167 589962421 /nfs/dbraw/zinc/96/24/21/589962421.db2.gz MSWWBOWWEUKYAF-UTLUCORTSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873157214 589988882 /nfs/dbraw/zinc/98/88/82/589988882.db2.gz UJBJYOPCGVEWRS-WCFLWFBJSA-N 1 2 235.331 1.765 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nccnc2C)nn1C ZINC000873186516 589990873 /nfs/dbraw/zinc/99/08/73/589990873.db2.gz PXPAYORPLSDGHZ-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1csc([C@H](C)[NH2+]Cc2cnc(N)cn2)n1 ZINC000873210808 589994775 /nfs/dbraw/zinc/99/47/75/589994775.db2.gz BYUIOHWUWOEDMN-QMMMGPOBSA-N 1 2 249.343 1.675 20 0 BDADLO CC[NH+]1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC000873722970 590068189 /nfs/dbraw/zinc/06/81/89/590068189.db2.gz SNRUHWLSLYIQET-UHFFFAOYSA-N 1 2 243.694 1.106 20 0 BDADLO COC[C@H](C)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000124761165 590083643 /nfs/dbraw/zinc/08/36/43/590083643.db2.gz QIMYYTPLKBETEK-UWVGGRQHSA-N 1 2 247.360 1.002 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000874110682 590092568 /nfs/dbraw/zinc/09/25/68/590092568.db2.gz SYNPCSPAEOLYKA-NXEZZACHSA-N 1 2 221.304 1.770 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000874110682 590092571 /nfs/dbraw/zinc/09/25/71/590092571.db2.gz SYNPCSPAEOLYKA-NXEZZACHSA-N 1 2 221.304 1.770 20 0 BDADLO COCCCN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124938618 590102478 /nfs/dbraw/zinc/10/24/78/590102478.db2.gz LIAPSYNFQWLXEA-JTQLQIEISA-N 1 2 224.304 1.608 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CCC2 ZINC000874777016 590128878 /nfs/dbraw/zinc/12/88/78/590128878.db2.gz IBYBBLNHGCHTDI-MWLCHTKSSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CCC2 ZINC000874777016 590128880 /nfs/dbraw/zinc/12/88/80/590128880.db2.gz IBYBBLNHGCHTDI-MWLCHTKSSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000874778275 590129905 /nfs/dbraw/zinc/12/99/05/590129905.db2.gz STNYUVPXGLEYRS-SKDRFNHKSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000874778275 590129907 /nfs/dbraw/zinc/12/99/07/590129907.db2.gz STNYUVPXGLEYRS-SKDRFNHKSA-N 1 2 245.326 1.573 20 0 BDADLO C/C=C/C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874894418 590153619 /nfs/dbraw/zinc/15/36/19/590153619.db2.gz FQVQJRQFUBSRBS-IBUXWKBASA-N 1 2 248.301 1.875 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NOCC1CCC1 ZINC000875753768 590170595 /nfs/dbraw/zinc/17/05/95/590170595.db2.gz UREDBQTYTYBUQD-UHFFFAOYSA-N 1 2 238.291 1.283 20 0 BDADLO C[N@H+](CCN1CCOC1=O)Cc1ccns1 ZINC000876811468 590245398 /nfs/dbraw/zinc/24/53/98/590245398.db2.gz DXODJLNSTZKCLS-UHFFFAOYSA-N 1 2 241.316 1.027 20 0 BDADLO C[N@@H+](CCN1CCOC1=O)Cc1ccns1 ZINC000876811468 590245400 /nfs/dbraw/zinc/24/54/00/590245400.db2.gz DXODJLNSTZKCLS-UHFFFAOYSA-N 1 2 241.316 1.027 20 0 BDADLO ClC1(Cl)C[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000876915705 590256597 /nfs/dbraw/zinc/25/65/97/590256597.db2.gz YEVPNITYMZQLOX-LURJTMIESA-N 1 2 220.103 1.693 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877142432 590291428 /nfs/dbraw/zinc/29/14/28/590291428.db2.gz PPTGEHPIURMQJK-ZCFIWIBFSA-N 1 2 247.751 1.411 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(Cl)cs2)CC[C@@H]1O ZINC000877432649 590326592 /nfs/dbraw/zinc/32/65/92/590326592.db2.gz DUSVKOONWCODOQ-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(Cl)cs2)CC[C@@H]1O ZINC000877432649 590326595 /nfs/dbraw/zinc/32/65/95/590326595.db2.gz DUSVKOONWCODOQ-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nc(Cl)cs1)C2 ZINC000877462128 590332575 /nfs/dbraw/zinc/33/25/75/590332575.db2.gz ORTWKOLGQMZURI-XCBNKYQSSA-N 1 2 244.747 1.611 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nc(Cl)cs1)C2 ZINC000877462128 590332578 /nfs/dbraw/zinc/33/25/78/590332578.db2.gz ORTWKOLGQMZURI-XCBNKYQSSA-N 1 2 244.747 1.611 20 0 BDADLO C[C@H]([NH2+]Cc1nc(Cl)cs1)C(=O)N(C)C ZINC000877474205 590335612 /nfs/dbraw/zinc/33/56/12/590335612.db2.gz SSZZXTIGDZAOBP-LURJTMIESA-N 1 2 247.751 1.363 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccnc1F ZINC000877490754 590340500 /nfs/dbraw/zinc/34/05/00/590340500.db2.gz GPOVNLOJERTQBJ-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO COc1cccc(C)c1C[NH2+]Cc1cnn(C)n1 ZINC000877522380 590346426 /nfs/dbraw/zinc/34/64/26/590346426.db2.gz OSYUKUTXSZNYHY-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](Cc3nc(Cl)cs3)C[C@H]12 ZINC000877545782 590352868 /nfs/dbraw/zinc/35/28/68/590352868.db2.gz LTMKKPWVCNPVOV-JIGDXULJSA-N 1 2 244.747 1.467 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3nc(Cl)cs3)C[C@H]12 ZINC000877545782 590352871 /nfs/dbraw/zinc/35/28/71/590352871.db2.gz LTMKKPWVCNPVOV-JIGDXULJSA-N 1 2 244.747 1.467 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+]C(CF)CF)cc1C ZINC000877556457 590357294 /nfs/dbraw/zinc/35/72/94/590357294.db2.gz RJLIRXVBRZQPHN-UHFFFAOYSA-N 1 2 246.257 1.507 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cc(F)ncc1F ZINC000877563088 590361347 /nfs/dbraw/zinc/36/13/47/590361347.db2.gz HGYMFIUGTLIBHJ-UHFFFAOYSA-N 1 2 239.225 1.946 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccns2)co1 ZINC000877571450 590362401 /nfs/dbraw/zinc/36/24/01/590362401.db2.gz ZKBJWZJDLQLBHW-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nc(Cl)cs1 ZINC000877586780 590367435 /nfs/dbraw/zinc/36/74/35/590367435.db2.gz RZQVICDNEJEQAH-NKWVEPMBSA-N 1 2 248.735 1.300 20 0 BDADLO Cc1ccc(CC[NH+]2CC3(C2)CNC(=O)O3)cc1 ZINC000877595852 590369668 /nfs/dbraw/zinc/36/96/68/590369668.db2.gz DRQCZYMGMCAYKV-UHFFFAOYSA-N 1 2 246.310 1.332 20 0 BDADLO CCc1noc(C[N@H+](C)CCCF)n1 ZINC000126611159 590373940 /nfs/dbraw/zinc/37/39/40/590373940.db2.gz VIZDMUIGWYRDCT-UHFFFAOYSA-N 1 2 201.245 1.423 20 0 BDADLO CCc1noc(C[N@@H+](C)CCCF)n1 ZINC000126611159 590373943 /nfs/dbraw/zinc/37/39/43/590373943.db2.gz VIZDMUIGWYRDCT-UHFFFAOYSA-N 1 2 201.245 1.423 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC000877632673 590379094 /nfs/dbraw/zinc/37/90/94/590379094.db2.gz JIZOXEWMEMCMTR-LLVKDONJSA-N 1 2 219.288 1.428 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000877632673 590379096 /nfs/dbraw/zinc/37/90/96/590379096.db2.gz JIZOXEWMEMCMTR-LLVKDONJSA-N 1 2 219.288 1.428 20 0 BDADLO CC[C@@H]1C[C@@H](C[N@@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632634 590379165 /nfs/dbraw/zinc/37/91/65/590379165.db2.gz ICNCJPZOCCSBIB-WCQYABFASA-N 1 2 249.358 1.941 20 0 BDADLO CC[C@@H]1C[C@@H](C[N@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632634 590379167 /nfs/dbraw/zinc/37/91/67/590379167.db2.gz ICNCJPZOCCSBIB-WCQYABFASA-N 1 2 249.358 1.941 20 0 BDADLO Cc1cc(C)cc(CC[NH2+]Cc2cn[nH]n2)c1 ZINC000877649229 590383699 /nfs/dbraw/zinc/38/36/99/590383699.db2.gz QQXOSUDFFBMCRW-UHFFFAOYSA-N 1 2 230.315 1.754 20 0 BDADLO CC1([NH2+]Cc2cnn(-c3ccccc3)n2)COC1 ZINC000877691182 590392631 /nfs/dbraw/zinc/39/26/31/590392631.db2.gz KGYWEGOPGYPZPV-UHFFFAOYSA-N 1 2 244.298 1.146 20 0 BDADLO Cn1c(C[NH+]2CC(C)(C)C2)cnc1Cl ZINC000877716997 590398068 /nfs/dbraw/zinc/39/80/68/590398068.db2.gz APSZDWCUHQJMPO-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1scnc1Cl ZINC000878046267 590479805 /nfs/dbraw/zinc/47/98/05/590479805.db2.gz VBRRVGRTGPNUGK-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1scnc1Cl ZINC000878046267 590479807 /nfs/dbraw/zinc/47/98/07/590479807.db2.gz VBRRVGRTGPNUGK-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000878083874 590488505 /nfs/dbraw/zinc/48/85/05/590488505.db2.gz IPYGYYQNIHGZRL-LLVKDONJSA-N 1 2 249.314 1.049 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+](C)[C@@H]1CCOC1 ZINC000878083874 590488507 /nfs/dbraw/zinc/48/85/07/590488507.db2.gz IPYGYYQNIHGZRL-LLVKDONJSA-N 1 2 249.314 1.049 20 0 BDADLO Cc1conc1C[N@H+](C)CCN1CCCC1=O ZINC000878101369 590493296 /nfs/dbraw/zinc/49/32/96/590493296.db2.gz CBHZRSUWTJHITF-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1conc1C[N@@H+](C)CCN1CCCC1=O ZINC000878101369 590493299 /nfs/dbraw/zinc/49/32/99/590493299.db2.gz CBHZRSUWTJHITF-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCC[C@](C)([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878113086 590497281 /nfs/dbraw/zinc/49/72/81/590497281.db2.gz SHRKDZRUFUKMJK-AAEUAGOBSA-N 1 2 245.363 1.715 20 0 BDADLO CCC[C@@](C)([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878113088 590497380 /nfs/dbraw/zinc/49/73/80/590497380.db2.gz SHRKDZRUFUKMJK-WCQYABFASA-N 1 2 245.363 1.715 20 0 BDADLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878156154 590509432 /nfs/dbraw/zinc/50/94/32/590509432.db2.gz IXQWFSQZUUVCHQ-VHSXEESVSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878156154 590509434 /nfs/dbraw/zinc/50/94/34/590509434.db2.gz IXQWFSQZUUVCHQ-VHSXEESVSA-N 1 2 246.376 1.361 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccn1CC(F)F ZINC000878319449 590544504 /nfs/dbraw/zinc/54/45/04/590544504.db2.gz RWVHCRZYOHSWIN-RKDXNWHRSA-N 1 2 245.273 1.103 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccn1CC(F)F ZINC000878319449 590544506 /nfs/dbraw/zinc/54/45/06/590544506.db2.gz RWVHCRZYOHSWIN-RKDXNWHRSA-N 1 2 245.273 1.103 20 0 BDADLO C=C/C=C\CC[NH2+][C@](C)(COC)C(=O)OC ZINC000878333520 590548486 /nfs/dbraw/zinc/54/84/86/590548486.db2.gz WYPFVCOYJOOKFE-ZHRWSRJISA-N 1 2 227.304 1.286 20 0 BDADLO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878341337 590551663 /nfs/dbraw/zinc/55/16/63/590551663.db2.gz WPVUZRLTLKMMED-ZJUUUORDSA-N 1 2 246.376 1.504 20 0 BDADLO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878341337 590551665 /nfs/dbraw/zinc/55/16/65/590551665.db2.gz WPVUZRLTLKMMED-ZJUUUORDSA-N 1 2 246.376 1.504 20 0 BDADLO C=C/C=C/CC[N@@H+](C)Cc1noc(C)n1 ZINC000878381014 590556764 /nfs/dbraw/zinc/55/67/64/590556764.db2.gz IZAQRVACJYAEAF-AATRIKPKSA-N 1 2 207.277 1.942 20 0 BDADLO C=C/C=C/CC[N@H+](C)Cc1noc(C)n1 ZINC000878381014 590556766 /nfs/dbraw/zinc/55/67/66/590556766.db2.gz IZAQRVACJYAEAF-AATRIKPKSA-N 1 2 207.277 1.942 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1CC=CCC1 ZINC000878384590 590557668 /nfs/dbraw/zinc/55/76/68/590557668.db2.gz NPQZJGHFRCVBAT-UHFFFAOYSA-N 1 2 231.299 1.590 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000878384590 590557669 /nfs/dbraw/zinc/55/76/69/590557669.db2.gz NPQZJGHFRCVBAT-UHFFFAOYSA-N 1 2 231.299 1.590 20 0 BDADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878453609 590569424 /nfs/dbraw/zinc/56/94/24/590569424.db2.gz VZIZSCDMRIYFJF-VHSXEESVSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878453609 590569427 /nfs/dbraw/zinc/56/94/27/590569427.db2.gz VZIZSCDMRIYFJF-VHSXEESVSA-N 1 2 246.376 1.361 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000878466242 590572988 /nfs/dbraw/zinc/57/29/88/590572988.db2.gz IXROKGZRTVQQAC-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000878466242 590572989 /nfs/dbraw/zinc/57/29/89/590572989.db2.gz IXROKGZRTVQQAC-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO Cc1conc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000878481237 590575916 /nfs/dbraw/zinc/57/59/16/590575916.db2.gz BXBHFHVIWJAZSS-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000878481237 590575920 /nfs/dbraw/zinc/57/59/20/590575920.db2.gz BXBHFHVIWJAZSS-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000878481683 590576776 /nfs/dbraw/zinc/57/67/76/590576776.db2.gz FUMANYPGSMZHKR-DTWKUNHWSA-N 1 2 205.248 1.346 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000878481683 590576779 /nfs/dbraw/zinc/57/67/79/590576779.db2.gz FUMANYPGSMZHKR-DTWKUNHWSA-N 1 2 205.248 1.346 20 0 BDADLO C=C/C=C\CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000878542058 590589355 /nfs/dbraw/zinc/58/93/55/590589355.db2.gz VPVHAJVWXLMKPA-XXJOZFEBSA-N 1 2 227.279 1.704 20 0 BDADLO C=C/C=C\CC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000878542058 590589356 /nfs/dbraw/zinc/58/93/56/590589356.db2.gz VPVHAJVWXLMKPA-XXJOZFEBSA-N 1 2 227.279 1.704 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000878547165 590589641 /nfs/dbraw/zinc/58/96/41/590589641.db2.gz YGGMIDAPYMAWSD-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000878547165 590589642 /nfs/dbraw/zinc/58/96/42/590589642.db2.gz YGGMIDAPYMAWSD-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO C=C/C=C/CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622221 590597064 /nfs/dbraw/zinc/59/70/64/590597064.db2.gz MSTFXQFMSKMWGY-PGLGOXFNSA-N 1 2 248.330 1.822 20 0 BDADLO C=C/C=C/CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622221 590597066 /nfs/dbraw/zinc/59/70/66/590597066.db2.gz MSTFXQFMSKMWGY-PGLGOXFNSA-N 1 2 248.330 1.822 20 0 BDADLO CC[N@H+](Cc1scnc1Cl)[C@H](C)CO ZINC000878639777 590599558 /nfs/dbraw/zinc/59/95/58/590599558.db2.gz UWSFKCPOTWTQCC-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@@H+](Cc1scnc1Cl)[C@H](C)CO ZINC000878639777 590599560 /nfs/dbraw/zinc/59/95/60/590599560.db2.gz UWSFKCPOTWTQCC-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000878641107 590599921 /nfs/dbraw/zinc/59/99/21/590599921.db2.gz QJRUVMAKXLKMRM-BRPSZJMVSA-N 1 2 233.258 1.383 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000878641107 590599922 /nfs/dbraw/zinc/59/99/22/590599922.db2.gz QJRUVMAKXLKMRM-BRPSZJMVSA-N 1 2 233.258 1.383 20 0 BDADLO C=C/C=C\CC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000878681019 590608722 /nfs/dbraw/zinc/60/87/22/590608722.db2.gz BYRBURULMRUJEQ-WAYWQWQTSA-N 1 2 229.345 1.238 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](C)CC(C)(C)C ZINC000878700356 590610989 /nfs/dbraw/zinc/61/09/89/590610989.db2.gz QAAJOVONJRLXBM-ZWNOBZJWSA-N 1 2 245.363 1.572 20 0 BDADLO O=C(COC1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878719777 590615748 /nfs/dbraw/zinc/61/57/48/590615748.db2.gz HAIUZEOJLFQGJX-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C(C)(C)C ZINC000878725961 590616561 /nfs/dbraw/zinc/61/65/61/590616561.db2.gz CTTIHOUZRCXXGL-MRVPVSSYSA-N 1 2 227.308 1.889 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C(C)(C)C ZINC000878725961 590616563 /nfs/dbraw/zinc/61/65/63/590616563.db2.gz CTTIHOUZRCXXGL-MRVPVSSYSA-N 1 2 227.308 1.889 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000878722417 590617121 /nfs/dbraw/zinc/61/71/21/590617121.db2.gz UJMRXVDHWIGOCG-QWRGUYRKSA-N 1 2 233.315 1.473 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878790193 590622758 /nfs/dbraw/zinc/62/27/58/590622758.db2.gz DXWDTAMGUCEOMU-SNVBAGLBSA-N 1 2 228.723 1.436 20 0 BDADLO CCN1CC[C@@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878790193 590622760 /nfs/dbraw/zinc/62/27/60/590622760.db2.gz DXWDTAMGUCEOMU-SNVBAGLBSA-N 1 2 228.723 1.436 20 0 BDADLO O=C(C[N@H+]1CCC=C(Cl)C1)N1CCCCC1 ZINC000878793663 590623959 /nfs/dbraw/zinc/62/39/59/590623959.db2.gz RJHOQHSBZDGSPG-UHFFFAOYSA-N 1 2 242.750 1.827 20 0 BDADLO O=C(C[N@@H+]1CCC=C(Cl)C1)N1CCCCC1 ZINC000878793663 590623960 /nfs/dbraw/zinc/62/39/60/590623960.db2.gz RJHOQHSBZDGSPG-UHFFFAOYSA-N 1 2 242.750 1.827 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC=C(Cl)C1 ZINC000878793418 590624614 /nfs/dbraw/zinc/62/46/14/590624614.db2.gz MHAOFGVJFAGCOU-MRVPVSSYSA-N 1 2 228.723 1.482 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC=C(Cl)C1 ZINC000878793418 590624615 /nfs/dbraw/zinc/62/46/15/590624615.db2.gz MHAOFGVJFAGCOU-MRVPVSSYSA-N 1 2 228.723 1.482 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CC[C@H](O)C(C)C)n1 ZINC000878845002 590632205 /nfs/dbraw/zinc/63/22/05/590632205.db2.gz GVTLIWLUBNZWGB-ONGXEEELSA-N 1 2 241.335 1.778 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CC[C@H](O)C(C)C)n1 ZINC000878845002 590632207 /nfs/dbraw/zinc/63/22/07/590632207.db2.gz GVTLIWLUBNZWGB-ONGXEEELSA-N 1 2 241.335 1.778 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000878876660 590637794 /nfs/dbraw/zinc/63/77/94/590637794.db2.gz QRAPHZFHDJCYBF-LBPRGKRZSA-N 1 2 246.318 1.358 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000878876660 590637797 /nfs/dbraw/zinc/63/77/97/590637797.db2.gz QRAPHZFHDJCYBF-LBPRGKRZSA-N 1 2 246.318 1.358 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ncsc1C1CC1 ZINC000878907998 590644692 /nfs/dbraw/zinc/64/46/92/590644692.db2.gz RRPQLGAFGUVBDZ-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ncsc1C1CC1 ZINC000878907998 590644695 /nfs/dbraw/zinc/64/46/95/590644695.db2.gz RRPQLGAFGUVBDZ-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO CCCCOC(=O)CC[N@@H+]1CCO[C@@H](OC)C1 ZINC000878968696 590663971 /nfs/dbraw/zinc/66/39/71/590663971.db2.gz YVRQIYRKHQVDSO-GFCCVEGCSA-N 1 2 245.319 1.025 20 0 BDADLO CCCCOC(=O)CC[N@H+]1CCO[C@@H](OC)C1 ZINC000878968696 590663974 /nfs/dbraw/zinc/66/39/74/590663974.db2.gz YVRQIYRKHQVDSO-GFCCVEGCSA-N 1 2 245.319 1.025 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](CF)C1 ZINC000879072697 590692087 /nfs/dbraw/zinc/69/20/87/590692087.db2.gz IYXDGZHUFNINIW-JTQLQIEISA-N 1 2 237.278 1.635 20 0 BDADLO CSC1CC[NH+](Cc2cnon2)CC1 ZINC000879098302 590696611 /nfs/dbraw/zinc/69/66/11/590696611.db2.gz ABVLRBYFCZRYDS-UHFFFAOYSA-N 1 2 213.306 1.397 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000879225364 590718428 /nfs/dbraw/zinc/71/84/28/590718428.db2.gz ZCVWKUODDPZNJK-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000879225364 590718432 /nfs/dbraw/zinc/71/84/32/590718432.db2.gz ZCVWKUODDPZNJK-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO Cc1ncc(CC(=O)Nc2cc(C)[nH+]cc2C)o1 ZINC000879248616 590721367 /nfs/dbraw/zinc/72/13/67/590721367.db2.gz RDDDSJLQGHNUKQ-UHFFFAOYSA-N 1 2 245.282 1.598 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)no2)C1 ZINC000879318593 590738880 /nfs/dbraw/zinc/73/88/80/590738880.db2.gz NCRCPQZGIAYFOL-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)no2)C1 ZINC000879318593 590738883 /nfs/dbraw/zinc/73/88/83/590738883.db2.gz NCRCPQZGIAYFOL-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO C[C@@H](O)C1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000879459388 590774005 /nfs/dbraw/zinc/77/40/05/590774005.db2.gz LXUAGFSFNZFOHD-DTWKUNHWSA-N 1 2 241.360 1.692 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000879616134 590830637 /nfs/dbraw/zinc/83/06/37/590830637.db2.gz RQAMIWOARPJHBM-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCc1noc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)n1 ZINC000879616134 590830640 /nfs/dbraw/zinc/83/06/40/590830640.db2.gz RQAMIWOARPJHBM-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CC1(C)C[C@@H](O)C[N@H+](Cc2cnsn2)C1 ZINC000879623989 590837319 /nfs/dbraw/zinc/83/73/19/590837319.db2.gz KDNLOEJMFYHEEB-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2cnsn2)C1 ZINC000879623989 590837323 /nfs/dbraw/zinc/83/73/23/590837323.db2.gz KDNLOEJMFYHEEB-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCOC1=O ZINC000879726700 590856762 /nfs/dbraw/zinc/85/67/62/590856762.db2.gz RMTAZZIIGGXMRL-CYBMUJFWSA-N 1 2 244.294 1.915 20 0 BDADLO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCOC1=O ZINC000879726700 590856763 /nfs/dbraw/zinc/85/67/63/590856763.db2.gz RMTAZZIIGGXMRL-CYBMUJFWSA-N 1 2 244.294 1.915 20 0 BDADLO CCCC[NH2+][C@@H](Cc1cncs1)C(=O)OC ZINC000879991283 590905644 /nfs/dbraw/zinc/90/56/44/590905644.db2.gz KAKXFVSBBSTEMU-JTQLQIEISA-N 1 2 242.344 1.617 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2nccnc2C)on1 ZINC000880109236 590927848 /nfs/dbraw/zinc/92/78/48/590927848.db2.gz UHWQMMAPLBTVAX-SECBINFHSA-N 1 2 248.286 1.632 20 0 BDADLO COCC1([N@H+](C)Cc2nnc(C)o2)CCC1 ZINC000880185513 590953266 /nfs/dbraw/zinc/95/32/66/590953266.db2.gz QXAVHMJAJRHCRS-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COCC1([N@@H+](C)Cc2nnc(C)o2)CCC1 ZINC000880185513 590953270 /nfs/dbraw/zinc/95/32/70/590953270.db2.gz QXAVHMJAJRHCRS-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)co1 ZINC000880190124 590955710 /nfs/dbraw/zinc/95/57/10/590955710.db2.gz OMAYLZBBOCPKKE-UHFFFAOYSA-N 1 2 233.271 1.734 20 0 BDADLO CC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188137 590956130 /nfs/dbraw/zinc/95/61/30/590956130.db2.gz ZBSAJHJFCFTJLL-KBPBESRZSA-N 1 2 230.311 1.539 20 0 BDADLO CC(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188137 590956132 /nfs/dbraw/zinc/95/61/32/590956132.db2.gz ZBSAJHJFCFTJLL-KBPBESRZSA-N 1 2 230.311 1.539 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000880236781 590965802 /nfs/dbraw/zinc/96/58/02/590965802.db2.gz IPLMUAANEXRXEY-LLVKDONJSA-N 1 2 231.311 1.867 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880236781 590965805 /nfs/dbraw/zinc/96/58/05/590965805.db2.gz IPLMUAANEXRXEY-LLVKDONJSA-N 1 2 231.311 1.867 20 0 BDADLO C[C@H](c1nncn1C)[NH+]1CCC(F)CC1 ZINC000880239252 590973063 /nfs/dbraw/zinc/97/30/63/590973063.db2.gz CUZAROLTEMLNHM-MRVPVSSYSA-N 1 2 212.272 1.310 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC(F)CC2)[nH]1 ZINC000880239726 590973138 /nfs/dbraw/zinc/97/31/38/590973138.db2.gz OIVOXBXOQKYGQS-ZETCQYMHSA-N 1 2 212.272 1.608 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316433 591003925 /nfs/dbraw/zinc/00/39/25/591003925.db2.gz CKBYWAQCLKMOFM-SECBINFHSA-N 1 2 249.343 1.261 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316433 591003927 /nfs/dbraw/zinc/00/39/27/591003927.db2.gz CKBYWAQCLKMOFM-SECBINFHSA-N 1 2 249.343 1.261 20 0 BDADLO COC(=O)[C@H]([NH2+]CC=C(C)C)C1CCOCC1 ZINC000880333347 591006529 /nfs/dbraw/zinc/00/65/29/591006529.db2.gz BZRLHGPJBJQPOZ-GFCCVEGCSA-N 1 2 241.331 1.510 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC000880415956 591026030 /nfs/dbraw/zinc/02/60/30/591026030.db2.gz DOSIHLDXQGJKKB-RCOVLWMOSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC000880415956 591026035 /nfs/dbraw/zinc/02/60/35/591026035.db2.gz DOSIHLDXQGJKKB-RCOVLWMOSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1scnc1Cl)C2 ZINC000880420749 591028600 /nfs/dbraw/zinc/02/86/00/591028600.db2.gz NWNZUFBZDDHFGH-HZGVNTEJSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1scnc1Cl)C2 ZINC000880420749 591028604 /nfs/dbraw/zinc/02/86/04/591028604.db2.gz NWNZUFBZDDHFGH-HZGVNTEJSA-N 1 2 230.720 1.363 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000880449493 591047793 /nfs/dbraw/zinc/04/77/93/591047793.db2.gz ANJDBGNOJSPCNZ-VIFPVBQESA-N 1 2 209.249 1.016 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000880449493 591047796 /nfs/dbraw/zinc/04/77/96/591047796.db2.gz ANJDBGNOJSPCNZ-VIFPVBQESA-N 1 2 209.249 1.016 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@H](CO)c1ccccc1 ZINC000880460433 591049711 /nfs/dbraw/zinc/04/97/11/591049711.db2.gz VHTSGZWLPNLJDC-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@H](CO)c1ccccc1 ZINC000880460433 591049714 /nfs/dbraw/zinc/04/97/14/591049714.db2.gz VHTSGZWLPNLJDC-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880458261 591050719 /nfs/dbraw/zinc/05/07/19/591050719.db2.gz NPCDAQUIXPGYKV-UHFFFAOYSA-N 1 2 236.319 1.340 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000880486842 591060687 /nfs/dbraw/zinc/06/06/87/591060687.db2.gz VHNOPYWXOGLRCF-SNVBAGLBSA-N 1 2 230.267 1.561 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1nc2ccccc2o1 ZINC000880486842 591060690 /nfs/dbraw/zinc/06/06/90/591060690.db2.gz VHNOPYWXOGLRCF-SNVBAGLBSA-N 1 2 230.267 1.561 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000880488204 591063056 /nfs/dbraw/zinc/06/30/56/591063056.db2.gz ZLDZXSSBSRFRKC-AWEZNQCLSA-N 1 2 247.342 1.731 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC000880488204 591063061 /nfs/dbraw/zinc/06/30/61/591063061.db2.gz ZLDZXSSBSRFRKC-AWEZNQCLSA-N 1 2 247.342 1.731 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000880488571 591064625 /nfs/dbraw/zinc/06/46/25/591064625.db2.gz HQRYYRSPMMFRAJ-LBPRGKRZSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000880488571 591064629 /nfs/dbraw/zinc/06/46/29/591064629.db2.gz HQRYYRSPMMFRAJ-LBPRGKRZSA-N 1 2 225.238 1.698 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)CC=C(C)C ZINC000128616047 591141475 /nfs/dbraw/zinc/14/14/75/591141475.db2.gz DSPXQBYJTQEJLF-UHFFFAOYSA-N 1 2 219.350 1.319 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)CC=C(C)C ZINC000128616047 591141477 /nfs/dbraw/zinc/14/14/77/591141477.db2.gz DSPXQBYJTQEJLF-UHFFFAOYSA-N 1 2 219.350 1.319 20 0 BDADLO C/C=C\CNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880823377 591144095 /nfs/dbraw/zinc/14/40/95/591144095.db2.gz BWWBFSCXMVOGPJ-ARJAWSKDSA-N 1 2 249.318 1.026 20 0 BDADLO C/C=C\CNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880823377 591144096 /nfs/dbraw/zinc/14/40/96/591144096.db2.gz BWWBFSCXMVOGPJ-ARJAWSKDSA-N 1 2 249.318 1.026 20 0 BDADLO O=C1CCC[C@H](c2cn(Cc3[nH]cc[nH+]3)nn2)C1 ZINC000880947042 591154300 /nfs/dbraw/zinc/15/43/00/591154300.db2.gz GDCSCXZYYWCDJP-VIFPVBQESA-N 1 2 245.286 1.276 20 0 BDADLO O=C1CCC[C@@H](c2cn(Cc3[nH]cc[nH+]3)nn2)C1 ZINC000880947039 591154312 /nfs/dbraw/zinc/15/43/12/591154312.db2.gz GDCSCXZYYWCDJP-SECBINFHSA-N 1 2 245.286 1.276 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C(F)F ZINC000881276417 591178029 /nfs/dbraw/zinc/17/80/29/591178029.db2.gz DJZLXFAUGRGPIS-RQJHMYQMSA-N 1 2 244.245 1.281 20 0 BDADLO CCCC(=O)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000881289859 591181351 /nfs/dbraw/zinc/18/13/51/591181351.db2.gz ROZVFFLRTFAZCY-UHFFFAOYSA-N 1 2 219.248 1.032 20 0 BDADLO CC[C@@H](O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000881312348 591187009 /nfs/dbraw/zinc/18/70/09/591187009.db2.gz JVFGSVAJIURGQR-GFCCVEGCSA-N 1 2 232.287 1.473 20 0 BDADLO Cc1ccc(Cn2cc(C(C)(C)O)nn2)c(C)[nH+]1 ZINC000881327021 591192090 /nfs/dbraw/zinc/19/20/90/591192090.db2.gz DPAFQLFHXAYKGY-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO c1cn(CCn2cc([C@H]3CCCCO3)nn2)c[nH+]1 ZINC000881345290 591194278 /nfs/dbraw/zinc/19/42/78/591194278.db2.gz MFGZHGFGIKKTHU-GFCCVEGCSA-N 1 2 247.302 1.416 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000881499619 591222553 /nfs/dbraw/zinc/22/25/53/591222553.db2.gz VNXFAEWYENTLPU-RYUDHWBXSA-N 1 2 245.326 1.528 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000881566832 591241711 /nfs/dbraw/zinc/24/17/11/591241711.db2.gz HETZDRWIZWKVDJ-PGLGOXFNSA-N 1 2 245.326 1.763 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000881566832 591241713 /nfs/dbraw/zinc/24/17/13/591241713.db2.gz HETZDRWIZWKVDJ-PGLGOXFNSA-N 1 2 245.326 1.763 20 0 BDADLO Cc1[nH+]cnc(NCCNC(=O)C(C)C)c1C ZINC000881763546 591269239 /nfs/dbraw/zinc/26/92/39/591269239.db2.gz ZZRPOXXXDZLKNK-UHFFFAOYSA-N 1 2 236.319 1.278 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)c2ccco2)c1C ZINC000881801804 591271444 /nfs/dbraw/zinc/27/14/44/591271444.db2.gz PMRUTRZXVZTXNC-SNVBAGLBSA-N 1 2 233.271 1.832 20 0 BDADLO CNC(=O)CCCNc1nc[nH+]c(C)c1C ZINC000881820585 591273015 /nfs/dbraw/zinc/27/30/15/591273015.db2.gz LRYYNEFSRACRPA-UHFFFAOYSA-N 1 2 222.292 1.032 20 0 BDADLO COC(=O)[C@@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000881827031 591273861 /nfs/dbraw/zinc/27/38/61/591273861.db2.gz AIQRSOUEAMISJH-SNVBAGLBSA-N 1 2 235.287 1.093 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)Cn2cncn2)c1C ZINC000881865300 591275091 /nfs/dbraw/zinc/27/50/91/591275091.db2.gz UHFFBNOLATUEQS-MRVPVSSYSA-N 1 2 232.291 1.186 20 0 BDADLO COCCCN(C)c1nc[nH+]c(C)c1C ZINC000881852737 591275128 /nfs/dbraw/zinc/27/51/28/591275128.db2.gz ZHDLGYATKNMSGG-UHFFFAOYSA-N 1 2 209.293 1.566 20 0 BDADLO Cc1[nH+]cnc(NCc2nncn2C(C)C)c1C ZINC000881975920 591284919 /nfs/dbraw/zinc/28/49/19/591284919.db2.gz RRJPFNMLOZAAAE-UHFFFAOYSA-N 1 2 246.318 1.878 20 0 BDADLO CCc1cc(CNc2cc[nH+]cc2F)[nH]n1 ZINC000881978670 591285056 /nfs/dbraw/zinc/28/50/56/591285056.db2.gz YVVQNZCHJFOEBK-UHFFFAOYSA-N 1 2 220.251 1.540 20 0 BDADLO CCc1cc(CNc2cc[nH+]cc2F)n[nH]1 ZINC000881978670 591285059 /nfs/dbraw/zinc/28/50/59/591285059.db2.gz YVVQNZCHJFOEBK-UHFFFAOYSA-N 1 2 220.251 1.540 20 0 BDADLO Cc1ncnc(N(C)Cc2[nH]cc[nH+]2)c1C ZINC000881988925 591286190 /nfs/dbraw/zinc/28/61/90/591286190.db2.gz QPSLUZIRIZRYSW-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO CCOC[C@@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882049772 591291473 /nfs/dbraw/zinc/29/14/73/591291473.db2.gz GUQJMTNTWQGHDN-GFCCVEGCSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)c2cccnc2)c1C ZINC000882117028 591300367 /nfs/dbraw/zinc/30/03/67/591300367.db2.gz LDJULTHLWAEWEB-LBPRGKRZSA-N 1 2 244.298 1.634 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2C[C@@H](O)C2(C)C)c1C ZINC000882210442 591316525 /nfs/dbraw/zinc/31/65/25/591316525.db2.gz KRGAFQIOHZWNPL-VHSXEESVSA-N 1 2 221.304 1.665 20 0 BDADLO OC[C@@]12C[C@@H]1CN(c1cc[nH+]cc1F)C2 ZINC000882239445 591320011 /nfs/dbraw/zinc/32/00/11/591320011.db2.gz WLYYUGLCZLNSIK-KCJUWKMLSA-N 1 2 208.236 1.039 20 0 BDADLO CO[C@H](CNc1nc[nH+]c(C)c1C)C1CC1 ZINC000882402385 591343469 /nfs/dbraw/zinc/34/34/69/591343469.db2.gz DUWCJNAYHTTYDX-LLVKDONJSA-N 1 2 221.304 1.930 20 0 BDADLO Cc1[nH+]cnc(NCc2nnc(C3CC3)[nH]2)c1C ZINC000882409449 591344020 /nfs/dbraw/zinc/34/40/20/591344020.db2.gz XUGDQIAWMHLPCI-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO COc1ccc(CNc2nc[nH+]c(C)c2C)nn1 ZINC000882429408 591347518 /nfs/dbraw/zinc/34/75/18/591347518.db2.gz NYZDXVRCJYUKQY-UHFFFAOYSA-N 1 2 245.286 1.504 20 0 BDADLO Cc1[nH+]cnc(NC[C@@]2(C)CCC(=O)N2)c1C ZINC000882436390 591348535 /nfs/dbraw/zinc/34/85/35/591348535.db2.gz XCTRZNNLKVDZOA-GFCCVEGCSA-N 1 2 234.303 1.174 20 0 BDADLO Cc1[nH+]cnc(NCCN2CCCC2=O)c1C ZINC000882526478 591382360 /nfs/dbraw/zinc/38/23/60/591382360.db2.gz FHAIBZRFTUXZSD-UHFFFAOYSA-N 1 2 234.303 1.128 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](CO)CCF)c1C ZINC000882530726 591383491 /nfs/dbraw/zinc/38/34/91/591383491.db2.gz LBDBWJRMAWMMAZ-SECBINFHSA-N 1 2 213.256 1.226 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccncc1C ZINC000129758816 591394583 /nfs/dbraw/zinc/39/45/83/591394583.db2.gz BSUIIWHWIZBPRB-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2COC3(CCC3)C2)c1 ZINC000882616835 591400222 /nfs/dbraw/zinc/40/02/22/591400222.db2.gz MXGQZUPMMQZQDF-LLVKDONJSA-N 1 2 234.299 1.697 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@]3(O)C[C@H]3C2)c1C ZINC000882619697 591400502 /nfs/dbraw/zinc/40/05/02/591400502.db2.gz BKSMIRZDUDVCGV-CMPLNLGQSA-N 1 2 219.288 1.055 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]3C[C@@H]3C2)c1C ZINC000882628014 591403844 /nfs/dbraw/zinc/40/38/44/591403844.db2.gz YNGLOHSFSWQSRS-GHMZBOCLSA-N 1 2 203.289 1.940 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)[C@H]2CCCO2)c1C ZINC000882650557 591406624 /nfs/dbraw/zinc/40/66/24/591406624.db2.gz CBAMHZJNTMXMJL-WDEREUQCSA-N 1 2 237.303 1.045 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)[C@@H]2CCCO2)c1C ZINC000882650555 591406960 /nfs/dbraw/zinc/40/69/60/591406960.db2.gz CBAMHZJNTMXMJL-QWRGUYRKSA-N 1 2 237.303 1.045 20 0 BDADLO COC(=O)C1=CC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000882651095 591407314 /nfs/dbraw/zinc/40/73/14/591407314.db2.gz MPJKJNDKUPSANW-SECBINFHSA-N 1 2 236.246 1.316 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)c1nnnn1C1CC1 ZINC000882692151 591412682 /nfs/dbraw/zinc/41/26/82/591412682.db2.gz BOXZCDQVJOTOIX-SSDOTTSWSA-N 1 2 248.265 1.137 20 0 BDADLO CC1(C)CO[C@H](CNc2cc(CO)cc[nH+]2)C1 ZINC000882715270 591419113 /nfs/dbraw/zinc/41/91/13/591419113.db2.gz UCPOCWBHHRVEJO-NSHDSACASA-N 1 2 236.315 1.801 20 0 BDADLO C[C@@H](O)CSc1cc(-n2cc[nH+]c2)ncn1 ZINC000882737652 591425130 /nfs/dbraw/zinc/42/51/30/591425130.db2.gz RUHDHDHMAMZUQV-MRVPVSSYSA-N 1 2 236.300 1.135 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000130351506 591458244 /nfs/dbraw/zinc/45/82/44/591458244.db2.gz SUTHLVDDWWBCAT-BXKDBHETSA-N 1 2 249.314 1.913 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882880296 591462174 /nfs/dbraw/zinc/46/21/74/591462174.db2.gz LNNWTPWVVLGKGO-SECBINFHSA-N 1 2 238.335 1.147 20 0 BDADLO Cc1cc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)no1 ZINC000882960774 591485544 /nfs/dbraw/zinc/48/55/44/591485544.db2.gz VLQNTRSNIYBDJI-KGLIPLIRSA-N 1 2 244.294 1.731 20 0 BDADLO CCC[C@H](C)CCCO[NH+]=C(N)CO ZINC000883013634 591494944 /nfs/dbraw/zinc/49/49/44/591494944.db2.gz UZIFFKBLBZWJAH-VIFPVBQESA-N 1 2 202.298 1.694 20 0 BDADLO CC(C)[C@H](O)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000882990296 591497479 /nfs/dbraw/zinc/49/74/79/591497479.db2.gz FWIASPIVASXKCD-NXEZZACHSA-N 1 2 230.308 1.071 20 0 BDADLO C=C/C=C\CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000882990627 591497639 /nfs/dbraw/zinc/49/76/39/591497639.db2.gz SQVBOIGNBVHRHS-UMBAGQNISA-N 1 2 210.277 1.796 20 0 BDADLO Cc1ccc(C)c(CO[NH+]=C(N)CO)c1 ZINC000883009603 591509818 /nfs/dbraw/zinc/50/98/18/591509818.db2.gz MZPSNYBAULRDQV-UHFFFAOYSA-N 1 2 208.261 1.294 20 0 BDADLO NC(CO)=[NH+]OCc1csc(C2CC2)n1 ZINC000883011778 591511704 /nfs/dbraw/zinc/51/17/04/591511704.db2.gz IXFAMQKWNSISBJ-UHFFFAOYSA-N 1 2 227.289 1.011 20 0 BDADLO Cc1cc(F)ccc1CO[NH+]=C(N)CO ZINC000883011900 591513195 /nfs/dbraw/zinc/51/31/95/591513195.db2.gz MQCVMFUWNDQLDD-UHFFFAOYSA-N 1 2 212.224 1.125 20 0 BDADLO Cc1ccc(F)cc1CO[NH+]=C(N)CO ZINC000883012749 591513261 /nfs/dbraw/zinc/51/32/61/591513261.db2.gz RETQMJNZMSTYQZ-UHFFFAOYSA-N 1 2 212.224 1.125 20 0 BDADLO NC(CO)=[NH+]OC1CC(Oc2ccccc2)C1 ZINC000883013106 591514229 /nfs/dbraw/zinc/51/42/29/591514229.db2.gz FEZUODZRKQSFIH-UHFFFAOYSA-N 1 2 236.271 1.087 20 0 BDADLO CO[C@H](CO[NH+]=C(N)CO)c1ccc(F)cc1 ZINC000883013245 591514608 /nfs/dbraw/zinc/51/46/08/591514608.db2.gz JLABKAKLRSGKHH-SNVBAGLBSA-N 1 2 242.250 1.004 20 0 BDADLO C[C@@H](CO[NH+]=C(N)CO)CC(C)(C)C ZINC000883013172 591514940 /nfs/dbraw/zinc/51/49/40/591514940.db2.gz HHUDPFHLPPJIIX-MRVPVSSYSA-N 1 2 202.298 1.549 20 0 BDADLO Cc1nc(N2CCc3ncncc3C2)cc[nH+]1 ZINC000883018133 591515879 /nfs/dbraw/zinc/51/58/79/591515879.db2.gz PINHDEVGYHHACE-UHFFFAOYSA-N 1 2 227.271 1.138 20 0 BDADLO Cc1cc(C[NH2+]Cc2nc(C(C)C)c[nH]2)n(C)n1 ZINC000883113435 591541815 /nfs/dbraw/zinc/54/18/15/591541815.db2.gz SPDJEUHBZAUWJI-UHFFFAOYSA-N 1 2 247.346 1.865 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccncc2N)co1 ZINC000883136784 591547913 /nfs/dbraw/zinc/54/79/13/591547913.db2.gz NPNJPLUTKMBLMG-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO CCC[C@@H](OC)c1noc([C@@H]([NH3+])COC)n1 ZINC000131171381 591565501 /nfs/dbraw/zinc/56/55/01/591565501.db2.gz PICIMSUVDCMKCN-JGVFFNPUSA-N 1 2 229.280 1.203 20 0 BDADLO C=C/C=C/CCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000883669905 591714658 /nfs/dbraw/zinc/71/46/58/591714658.db2.gz TYPZYYXBWJKXNI-PGLGOXFNSA-N 1 2 246.314 1.759 20 0 BDADLO CCCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800084298 591818753 /nfs/dbraw/zinc/81/87/53/591818753.db2.gz GHSICEUUBGPNQQ-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800084298 591818756 /nfs/dbraw/zinc/81/87/56/591818756.db2.gz GHSICEUUBGPNQQ-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CC(C)CCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800107418 591822941 /nfs/dbraw/zinc/82/29/41/591822941.db2.gz QJTAQONOMRWPSK-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)CCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800107418 591822944 /nfs/dbraw/zinc/82/29/44/591822944.db2.gz QJTAQONOMRWPSK-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800139360 591827555 /nfs/dbraw/zinc/82/75/55/591827555.db2.gz YSKGLSNNRVZZTR-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800139360 591827556 /nfs/dbraw/zinc/82/75/56/591827556.db2.gz YSKGLSNNRVZZTR-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C2(C)CC2)CCO1 ZINC000800182128 591833655 /nfs/dbraw/zinc/83/36/55/591833655.db2.gz AEDHXIFNICYEOG-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C2(C)CC2)CCO1 ZINC000800182128 591833657 /nfs/dbraw/zinc/83/36/57/591833657.db2.gz AEDHXIFNICYEOG-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C=C2CCC2)CCO1 ZINC000800180998 591834325 /nfs/dbraw/zinc/83/43/25/591834325.db2.gz CUDOMLRXXNHBFS-NSHDSACASA-N 1 2 239.315 1.361 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C=C2CCC2)CCO1 ZINC000800180998 591834329 /nfs/dbraw/zinc/83/43/29/591834329.db2.gz CUDOMLRXXNHBFS-NSHDSACASA-N 1 2 239.315 1.361 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800211633 591841133 /nfs/dbraw/zinc/84/11/33/591841133.db2.gz IADSLEJTUFVIMR-GHMZBOCLSA-N 1 2 247.310 1.244 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800211633 591841136 /nfs/dbraw/zinc/84/11/36/591841136.db2.gz IADSLEJTUFVIMR-GHMZBOCLSA-N 1 2 247.310 1.244 20 0 BDADLO CCCNc1cc(N[C@@H](C)CCO)nc[nH+]1 ZINC000134281484 591911261 /nfs/dbraw/zinc/91/12/61/591911261.db2.gz NQAXOHXQXJUNDG-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(N[C@@H](C)CCO)[nH+]cn1 ZINC000134281484 591911262 /nfs/dbraw/zinc/91/12/62/591911262.db2.gz NQAXOHXQXJUNDG-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N(C)CCCF ZINC000884387730 591922025 /nfs/dbraw/zinc/92/20/25/591922025.db2.gz CPNAMLNKMWFTFU-UHFFFAOYSA-N 1 2 242.298 1.404 20 0 BDADLO CCc1nc(N2CC(C3CCOCC3)C2)cc[nH+]1 ZINC000884497912 591957530 /nfs/dbraw/zinc/95/75/30/591957530.db2.gz LSEKPBHCIJKSLG-UHFFFAOYSA-N 1 2 247.342 1.902 20 0 BDADLO CCc1nc(N2CCC3(CCO3)CC2)cc[nH+]1 ZINC000884497768 591958071 /nfs/dbraw/zinc/95/80/71/591958071.db2.gz HBVHMJLWPHVPJQ-UHFFFAOYSA-N 1 2 233.315 1.798 20 0 BDADLO CCc1nc(N2CC3(C2)CCCOC3)cc[nH+]1 ZINC000884509619 591961024 /nfs/dbraw/zinc/96/10/24/591961024.db2.gz KVWKZSMCZZCVSJ-UHFFFAOYSA-N 1 2 233.315 1.656 20 0 BDADLO CCc1nc(N(CC)C[C@@H](C)OC)cc[nH+]1 ZINC000884512793 591961816 /nfs/dbraw/zinc/96/18/16/591961816.db2.gz PWNDSHPCAPVYAM-SNVBAGLBSA-N 1 2 223.320 1.900 20 0 BDADLO CCc1nc(N(C)[C@H](CC)CO)cc[nH+]1 ZINC000884518084 591963891 /nfs/dbraw/zinc/96/38/91/591963891.db2.gz FHSTZTHEBUBODF-SECBINFHSA-N 1 2 209.293 1.246 20 0 BDADLO CCc1nc(N2CC[C@@H](SC)C2)cc[nH+]1 ZINC000884519765 591964407 /nfs/dbraw/zinc/96/44/07/591964407.db2.gz CAPHLHQTJPFFAN-SECBINFHSA-N 1 2 223.345 1.981 20 0 BDADLO CCc1nc(NCc2ncccn2)cc[nH+]1 ZINC000884527608 591966972 /nfs/dbraw/zinc/96/69/72/591966972.db2.gz VHFWPKMVYGQGOM-UHFFFAOYSA-N 1 2 215.260 1.441 20 0 BDADLO CCc1nc(N2CCC[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000884528719 591967578 /nfs/dbraw/zinc/96/75/78/591967578.db2.gz XAJVWMKFTDKCEA-MNOVXSKESA-N 1 2 233.315 1.654 20 0 BDADLO CCc1nc(NCC[C@@H](COC)OC)cc[nH+]1 ZINC000884552020 591976399 /nfs/dbraw/zinc/97/63/99/591976399.db2.gz OYCAENCLENTTLQ-JTQLQIEISA-N 1 2 239.319 1.502 20 0 BDADLO CCc1nc(NCCOC(=O)N(C)C)cc[nH+]1 ZINC000884556276 591978579 /nfs/dbraw/zinc/97/85/79/591978579.db2.gz MFJPSUSAAYSYFP-UHFFFAOYSA-N 1 2 238.291 1.149 20 0 BDADLO CCc1nc(NC2([C@@H](C)O)CC2)cc[nH+]1 ZINC000884559524 591979523 /nfs/dbraw/zinc/97/95/23/591979523.db2.gz XBRBPPPFHMVGBT-MRVPVSSYSA-N 1 2 207.277 1.364 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(F)nc1 ZINC000135050437 591979783 /nfs/dbraw/zinc/97/97/83/591979783.db2.gz HSZSVOBQGFHYDC-UHFFFAOYSA-N 1 2 248.261 1.836 20 0 BDADLO COc1c(N)[nH+]cnc1NC1CCC=CCC1 ZINC000884844121 592024169 /nfs/dbraw/zinc/02/41/69/592024169.db2.gz DMIJJNAFKIBHDY-UHFFFAOYSA-N 1 2 234.303 1.978 20 0 BDADLO COc1c(N)nc[nH+]c1NC1CCC=CCC1 ZINC000884844121 592024172 /nfs/dbraw/zinc/02/41/72/592024172.db2.gz DMIJJNAFKIBHDY-UHFFFAOYSA-N 1 2 234.303 1.978 20 0 BDADLO C[C@H]1C(=O)CCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000885068029 592044659 /nfs/dbraw/zinc/04/46/59/592044659.db2.gz WKDDKNMBWIOVOH-PORFMDCZSA-N 1 2 247.298 1.013 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)CC[C@H]1C ZINC000885076470 592047060 /nfs/dbraw/zinc/04/70/60/592047060.db2.gz UXJULEMXSLIGED-NXEZZACHSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)CC[C@H]1C ZINC000885076470 592047062 /nfs/dbraw/zinc/04/70/62/592047062.db2.gz UXJULEMXSLIGED-NXEZZACHSA-N 1 2 249.314 1.168 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)nn1 ZINC000885755189 592098428 /nfs/dbraw/zinc/09/84/28/592098428.db2.gz DQQYFMSUVPFNKB-CYBMUJFWSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)nn1 ZINC000885755189 592098429 /nfs/dbraw/zinc/09/84/29/592098429.db2.gz DQQYFMSUVPFNKB-CYBMUJFWSA-N 1 2 245.330 1.963 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSC(F)(F)F ZINC000885951972 592113923 /nfs/dbraw/zinc/11/39/23/592113923.db2.gz SSSWGKRODSDZPT-SSDOTTSWSA-N 1 2 229.267 1.960 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSC(F)(F)F ZINC000885951972 592113926 /nfs/dbraw/zinc/11/39/26/592113926.db2.gz SSSWGKRODSDZPT-SSDOTTSWSA-N 1 2 229.267 1.960 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000885985605 592119663 /nfs/dbraw/zinc/11/96/63/592119663.db2.gz LTTPCOGLEGWVPJ-ZYHUDNBSSA-N 1 2 249.301 1.627 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000885985605 592119664 /nfs/dbraw/zinc/11/96/64/592119664.db2.gz LTTPCOGLEGWVPJ-ZYHUDNBSSA-N 1 2 249.301 1.627 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@]23C[C@H]2CCC3)c[nH+]1 ZINC000886002670 592127759 /nfs/dbraw/zinc/12/77/59/592127759.db2.gz JTHLNXWSNKMFFG-SKDRFNHKSA-N 1 2 219.288 1.638 20 0 BDADLO Cc1coc(C[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000886046754 592140332 /nfs/dbraw/zinc/14/03/32/592140332.db2.gz OYZSHYDTXSFNSO-GFCCVEGCSA-N 1 2 235.287 1.145 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2[nH]nc(C)c2C)n1 ZINC000886109998 592156228 /nfs/dbraw/zinc/15/62/28/592156228.db2.gz WGXBRVVYISLPEN-UHFFFAOYSA-N 1 2 249.318 1.743 20 0 BDADLO Cc1n[nH]c(C[NH2+]CC(C)(F)F)c1C ZINC000886125000 592158942 /nfs/dbraw/zinc/15/89/42/592158942.db2.gz GRXOKRBXUFENQW-UHFFFAOYSA-N 1 2 203.236 1.771 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cc(C)co2)n1 ZINC000886149089 592163830 /nfs/dbraw/zinc/16/38/30/592163830.db2.gz GAUWOIWRPRDNSP-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO O[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC(F)(F)C1 ZINC000886166584 592168128 /nfs/dbraw/zinc/16/81/28/592168128.db2.gz LTOXQFYAYGUUEI-GARJFASQSA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC(F)(F)C1 ZINC000886166584 592168130 /nfs/dbraw/zinc/16/81/30/592168130.db2.gz LTOXQFYAYGUUEI-GARJFASQSA-N 1 2 247.285 1.115 20 0 BDADLO C[C@@](O)(C[N@@H+]1Cc2ccncc2C1)C(F)F ZINC000886202843 592174948 /nfs/dbraw/zinc/17/49/48/592174948.db2.gz GJQXLPVODHAPQV-LLVKDONJSA-N 1 2 228.242 1.413 20 0 BDADLO C[C@@](O)(C[N@H+]1Cc2ccncc2C1)C(F)F ZINC000886202843 592174949 /nfs/dbraw/zinc/17/49/49/592174949.db2.gz GJQXLPVODHAPQV-LLVKDONJSA-N 1 2 228.242 1.413 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C3CC3)no2)nn1C ZINC000886269404 592191914 /nfs/dbraw/zinc/19/19/14/592191914.db2.gz UNHJQFKTCHYVJJ-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1)c1ncco1 ZINC000886276118 592192780 /nfs/dbraw/zinc/19/27/80/592192780.db2.gz XKSJHNYPVUSLQT-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ncco1 ZINC000886274169 592194477 /nfs/dbraw/zinc/19/44/77/592194477.db2.gz NTXAVXNBGLFZBA-JTQLQIEISA-N 1 2 246.314 1.986 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2[nH]ncc2C)C1 ZINC000886285829 592200262 /nfs/dbraw/zinc/20/02/62/592200262.db2.gz SZMRCTISBXIRGB-AOOOYVTPSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2[nH]ncc2C)C1 ZINC000886285829 592200265 /nfs/dbraw/zinc/20/02/65/592200265.db2.gz SZMRCTISBXIRGB-AOOOYVTPSA-N 1 2 237.303 1.102 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000886305396 592203506 /nfs/dbraw/zinc/20/35/06/592203506.db2.gz FZTUYWGMPFVMRR-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO C([C@@H]1C[C@@]12CCOC2)[N@@H+]1OC2CCC1CC2 ZINC000886311863 592205488 /nfs/dbraw/zinc/20/54/88/592205488.db2.gz KEUBPJXZKGZOAX-YWPUVAFDSA-N 1 2 223.316 1.971 20 0 BDADLO C([C@@H]1C[C@@]12CCOC2)[N@H+]1OC2CCC1CC2 ZINC000886311863 592205489 /nfs/dbraw/zinc/20/54/89/592205489.db2.gz KEUBPJXZKGZOAX-YWPUVAFDSA-N 1 2 223.316 1.971 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886331201 592210718 /nfs/dbraw/zinc/21/07/18/592210718.db2.gz BXQIDJWMDPCMHE-DTORHVGOSA-N 1 2 207.277 1.474 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886331201 592210719 /nfs/dbraw/zinc/21/07/19/592210719.db2.gz BXQIDJWMDPCMHE-DTORHVGOSA-N 1 2 207.277 1.474 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ncnn1C ZINC000886599053 592271951 /nfs/dbraw/zinc/27/19/51/592271951.db2.gz PRQVMINNKZJMHS-MWLCHTKSSA-N 1 2 243.314 1.548 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ncnn1C ZINC000886599051 592273199 /nfs/dbraw/zinc/27/31/99/592273199.db2.gz PRQVMINNKZJMHS-GXSJLCMTSA-N 1 2 243.314 1.548 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C(C)(C)C)C2 ZINC000886626025 592278808 /nfs/dbraw/zinc/27/88/08/592278808.db2.gz KWTLBKJVNFJAOA-UHFFFAOYSA-N 1 2 235.331 1.834 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ncccn1)c1cnn(C)c1 ZINC000886638108 592285914 /nfs/dbraw/zinc/28/59/14/592285914.db2.gz MALRDNRFLVEQGP-ZDUSSCGKSA-N 1 2 245.330 1.697 20 0 BDADLO Cc1nonc1C[NH2+][C@H]1CCc2cccnc21 ZINC000886650447 592289479 /nfs/dbraw/zinc/28/94/79/592289479.db2.gz XCSFNLHPTDFYBO-JTQLQIEISA-N 1 2 230.271 1.550 20 0 BDADLO CCOC(=O)[C@@H](CCCC(C)C)[NH2+]C[C@@H](C)O ZINC000886934503 592397484 /nfs/dbraw/zinc/39/74/84/592397484.db2.gz YMDSVVMPYBANDZ-VXGBXAGGSA-N 1 2 245.363 1.715 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCC[C@@H](O)[C@H]2C)on1 ZINC000887033534 592426701 /nfs/dbraw/zinc/42/67/01/592426701.db2.gz UIRYHRWRFSGEDL-PRHODGIISA-N 1 2 238.287 1.222 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)on1 ZINC000887033534 592426706 /nfs/dbraw/zinc/42/67/06/592426706.db2.gz UIRYHRWRFSGEDL-PRHODGIISA-N 1 2 238.287 1.222 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1([C@H]2CCCCO2)CC1 ZINC000887083610 592437372 /nfs/dbraw/zinc/43/73/72/592437372.db2.gz FOIKPBNCUYIBML-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC1([C@H]2CCCCO2)CC1 ZINC000887083610 592437374 /nfs/dbraw/zinc/43/73/74/592437374.db2.gz FOIKPBNCUYIBML-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO COc1cc2c(cc1O)CC[N@H+](CC(C)=O)C2 ZINC000887108487 592444344 /nfs/dbraw/zinc/44/43/44/592444344.db2.gz KSPWITAHASIASJ-UHFFFAOYSA-N 1 2 235.283 1.348 20 0 BDADLO COc1cc2c(cc1O)CC[N@@H+](CC(C)=O)C2 ZINC000887108487 592444347 /nfs/dbraw/zinc/44/43/47/592444347.db2.gz KSPWITAHASIASJ-UHFFFAOYSA-N 1 2 235.283 1.348 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCCF)o1 ZINC000887138620 592453508 /nfs/dbraw/zinc/45/35/08/592453508.db2.gz DQDHFYUMSLBPTL-UHFFFAOYSA-N 1 2 215.272 1.984 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCCF)o1 ZINC000887138620 592453512 /nfs/dbraw/zinc/45/35/12/592453512.db2.gz DQDHFYUMSLBPTL-UHFFFAOYSA-N 1 2 215.272 1.984 20 0 BDADLO C[N@H+](CCCF)Cc1nnnn1-c1ccccc1 ZINC000887136167 592451282 /nfs/dbraw/zinc/45/12/82/592451282.db2.gz LUGJNTOIVTZOOZ-UHFFFAOYSA-N 1 2 249.293 1.454 20 0 BDADLO C[N@@H+](CCCF)Cc1nnnn1-c1ccccc1 ZINC000887136167 592451284 /nfs/dbraw/zinc/45/12/84/592451284.db2.gz LUGJNTOIVTZOOZ-UHFFFAOYSA-N 1 2 249.293 1.454 20 0 BDADLO CCc1cnc(NC(=O)CNc2cccc[nH+]2)o1 ZINC000887235683 592469242 /nfs/dbraw/zinc/46/92/42/592469242.db2.gz JXLGOHWOZNOABK-UHFFFAOYSA-N 1 2 246.270 1.683 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)c[nH+]1 ZINC000887489560 592514192 /nfs/dbraw/zinc/51/41/92/592514192.db2.gz CJSCQDBPMFXYPT-CMPLNLGQSA-N 1 2 249.314 1.406 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000300890025 592523650 /nfs/dbraw/zinc/52/36/50/592523650.db2.gz UDUHDDCRUJELJY-QWRGUYRKSA-N 1 2 229.320 1.344 20 0 BDADLO CCn1cc(C[N@H+](C)[C@H](C)c2ccccn2)nn1 ZINC000887555398 592525750 /nfs/dbraw/zinc/52/57/50/592525750.db2.gz IIVWIYCUCHDQBO-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@H](C)c2ccccn2)nn1 ZINC000887555398 592525751 /nfs/dbraw/zinc/52/57/51/592525751.db2.gz IIVWIYCUCHDQBO-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000302474145 592548466 /nfs/dbraw/zinc/54/84/66/592548466.db2.gz ZXSSHSBNELDMIU-RQJHMYQMSA-N 1 2 247.245 1.619 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C(F)(F)F)C1 ZINC000888020887 592567854 /nfs/dbraw/zinc/56/78/54/592567854.db2.gz IMJVNXNUYOWFSL-SSDOTTSWSA-N 1 2 247.220 1.363 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889320678 592596640 /nfs/dbraw/zinc/59/66/40/592596640.db2.gz CPPKBPKGWNICQQ-CNVPUSNMSA-N 1 2 249.314 1.149 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889320678 592596642 /nfs/dbraw/zinc/59/66/42/592596642.db2.gz CPPKBPKGWNICQQ-CNVPUSNMSA-N 1 2 249.314 1.149 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H](C)CO2)cc[nH+]1 ZINC000889792527 592653671 /nfs/dbraw/zinc/65/36/71/592653671.db2.gz BHRONVYPSZPESC-KWQFWETISA-N 1 2 220.272 1.175 20 0 BDADLO Cc1cc(NC(=O)C[C@H]2CC(C)(C)CO2)cc[nH+]1 ZINC000889792840 592654845 /nfs/dbraw/zinc/65/48/45/592654845.db2.gz OZAVRPUSBBBAPX-LBPRGKRZSA-N 1 2 248.326 1.956 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C3CC3)CC2)c1 ZINC000890100426 592679478 /nfs/dbraw/zinc/67/94/78/592679478.db2.gz XDWAYDLDWBGIPX-UHFFFAOYSA-N 1 2 219.288 1.227 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C(C)(C)C(C)(F)F)c1 ZINC000890104043 592680092 /nfs/dbraw/zinc/68/00/92/592680092.db2.gz HBOYKEMXWJNAHO-UHFFFAOYSA-N 1 2 245.273 1.718 20 0 BDADLO C[C@H](CC(=O)NCc1cn(C)c[nH+]1)C(F)(F)F ZINC000890103432 592680451 /nfs/dbraw/zinc/68/04/51/592680451.db2.gz KYXOVEKEPONZSY-SSDOTTSWSA-N 1 2 249.236 1.625 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107085 592681416 /nfs/dbraw/zinc/68/14/16/592681416.db2.gz HUXYXUSCVBJNDJ-JQWIXIFHSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C[C@H]2C=CCCC2)c1 ZINC000890107898 592682606 /nfs/dbraw/zinc/68/26/06/592682606.db2.gz QBPVLKXGBGOLRN-NSHDSACASA-N 1 2 233.315 1.783 20 0 BDADLO CS[C@H](C)CCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109070 592683490 /nfs/dbraw/zinc/68/34/90/592683490.db2.gz AHXQXEIDMGKKDS-SECBINFHSA-N 1 2 241.360 1.568 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)c1ccsc1 ZINC000890113732 592683695 /nfs/dbraw/zinc/68/36/95/592683695.db2.gz NEHRSBWYIJWNIO-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO CCC/C(C)=C\C(=O)NCc1cn(C)c[nH+]1 ZINC000890113913 592684207 /nfs/dbraw/zinc/68/42/07/592684207.db2.gz CGDHXMIHEBPYRU-POHAHGRESA-N 1 2 221.304 1.783 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CCCC2)c1 ZINC000890119159 592685564 /nfs/dbraw/zinc/68/55/64/592685564.db2.gz ACVRCXXIRHQUGY-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO Cc1ccc(CC(=O)NCc2cn(C)c[nH+]2)s1 ZINC000890114382 592685656 /nfs/dbraw/zinc/68/56/56/592685656.db2.gz JGMMMQDXFJDYPK-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO O=C([O-])c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000050920661 600730995 /nfs/dbraw/zinc/73/09/95/600730995.db2.gz ZCVMNLMDHVELDL-UHFFFAOYSA-N 1 2 245.282 1.371 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)[C@@H](C)CO)c1Cl ZINC000124678936 634429490 /nfs/dbraw/zinc/42/94/90/634429490.db2.gz HTFLDHZUCSUIOK-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)[C@@H](C)CO)c1Cl ZINC000124678936 634429499 /nfs/dbraw/zinc/42/94/99/634429499.db2.gz HTFLDHZUCSUIOK-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H]1C(F)F ZINC000931428734 634443089 /nfs/dbraw/zinc/44/30/89/634443089.db2.gz VSWYRZRJPPJUFV-CIUDSAMLSA-N 1 2 205.248 1.751 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H]1C(F)F ZINC000931428734 634443092 /nfs/dbraw/zinc/44/30/92/634443092.db2.gz VSWYRZRJPPJUFV-CIUDSAMLSA-N 1 2 205.248 1.751 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000909354402 634477048 /nfs/dbraw/zinc/47/70/48/634477048.db2.gz QTKGBDVUNFSENT-NSHDSACASA-N 1 2 249.314 1.312 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000909354402 634477053 /nfs/dbraw/zinc/47/70/53/634477053.db2.gz QTKGBDVUNFSENT-NSHDSACASA-N 1 2 249.314 1.312 20 0 BDADLO CC(C)=CCNc1cc(N(C)C)nc[nH+]1 ZINC000893453868 634497769 /nfs/dbraw/zinc/49/77/69/634497769.db2.gz OPZWKTOWFWVTAT-UHFFFAOYSA-N 1 2 206.293 1.921 20 0 BDADLO CC(C)=CCNc1cc(N(C)C)[nH+]cn1 ZINC000893453868 634497773 /nfs/dbraw/zinc/49/77/73/634497773.db2.gz OPZWKTOWFWVTAT-UHFFFAOYSA-N 1 2 206.293 1.921 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](C/C=C\Cl)C1)C(F)F ZINC001009814243 634590019 /nfs/dbraw/zinc/59/00/19/634590019.db2.gz GCUOZJSWAPINTP-BYXPXVBTSA-N 1 2 238.665 1.195 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](C/C=C\Cl)C1)C(F)F ZINC001009814243 634590025 /nfs/dbraw/zinc/59/00/25/634590025.db2.gz GCUOZJSWAPINTP-BYXPXVBTSA-N 1 2 238.665 1.195 20 0 BDADLO CNc1cc(N2CCC3(CCO3)CC2)nc[nH+]1 ZINC000893699461 635495145 /nfs/dbraw/zinc/49/51/45/635495145.db2.gz MRVKRWKKSUNGBO-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO CNc1cc(N2CCC3(CCO3)CC2)[nH+]cn1 ZINC000893699461 635495150 /nfs/dbraw/zinc/49/51/50/635495150.db2.gz MRVKRWKKSUNGBO-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO O=C(N[C@@H]1CCCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC000932151717 635602439 /nfs/dbraw/zinc/60/24/39/635602439.db2.gz NHITXDJQCKOEBT-SNVBAGLBSA-N 1 2 245.282 1.472 20 0 BDADLO C[C@@H]([NH2+]CC[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000090814839 631233694 /nfs/dbraw/zinc/23/36/94/631233694.db2.gz WOUXXPKSZPHVMA-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO CCC(O)(CC)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090815198 631234126 /nfs/dbraw/zinc/23/41/26/631234126.db2.gz CSYLTIJQLKDQQJ-JTQLQIEISA-N 1 2 245.363 1.857 20 0 BDADLO CN(CCc1ccncc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000074673265 631237745 /nfs/dbraw/zinc/23/77/45/631237745.db2.gz NZKUJQPVYDFLCU-UHFFFAOYSA-N 1 2 244.298 1.048 20 0 BDADLO Nc1ccc(CNC(=O)CC[C@@H]2CCCO2)c[nH+]1 ZINC000308375793 631312054 /nfs/dbraw/zinc/31/20/54/631312054.db2.gz LUZSWKQVNULZMO-NSHDSACASA-N 1 2 249.314 1.239 20 0 BDADLO Cc1ccc(CC[N@@H+]2CCNC(=O)C2)cc1C ZINC000891470093 631373410 /nfs/dbraw/zinc/37/34/10/631373410.db2.gz BOZFMLNCPXVTDH-UHFFFAOYSA-N 1 2 232.327 1.278 20 0 BDADLO Cc1ccc(CC[N@H+]2CCNC(=O)C2)cc1C ZINC000891470093 631373414 /nfs/dbraw/zinc/37/34/14/631373414.db2.gz BOZFMLNCPXVTDH-UHFFFAOYSA-N 1 2 232.327 1.278 20 0 BDADLO CC[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000891572219 631395838 /nfs/dbraw/zinc/39/58/38/631395838.db2.gz RVDFLCZVTHTJJL-UHFFFAOYSA-N 1 2 218.098 1.624 20 0 BDADLO CC[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000891572219 631395844 /nfs/dbraw/zinc/39/58/44/631395844.db2.gz RVDFLCZVTHTJJL-UHFFFAOYSA-N 1 2 218.098 1.624 20 0 BDADLO CCCCCCNC(=O)NCc1c[nH+]cn1C ZINC000291169642 631580525 /nfs/dbraw/zinc/58/05/25/631580525.db2.gz QWQYTLAYIYZKDH-UHFFFAOYSA-N 1 2 238.335 1.800 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000934012075 631586813 /nfs/dbraw/zinc/58/68/13/631586813.db2.gz PHYMJRKHUIOOLI-SECBINFHSA-N 1 2 208.261 1.119 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC000934012075 631586820 /nfs/dbraw/zinc/58/68/20/631586820.db2.gz PHYMJRKHUIOOLI-SECBINFHSA-N 1 2 208.261 1.119 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000934010287 631588902 /nfs/dbraw/zinc/58/89/02/631588902.db2.gz CEPJMRWFFHBMEO-SECBINFHSA-N 1 2 227.691 1.612 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000934010287 631588908 /nfs/dbraw/zinc/58/89/08/631588908.db2.gz CEPJMRWFFHBMEO-SECBINFHSA-N 1 2 227.691 1.612 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cccnc1Cl ZINC000934014199 631593530 /nfs/dbraw/zinc/59/35/30/631593530.db2.gz AIEWJQVZYRZNBF-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cccnc1Cl ZINC000934014199 631593525 /nfs/dbraw/zinc/59/35/25/631593525.db2.gz AIEWJQVZYRZNBF-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]1CO ZINC000934014018 631595036 /nfs/dbraw/zinc/59/50/36/631595036.db2.gz JLQJWFFPOIRYJU-LLVKDONJSA-N 1 2 241.718 1.915 20 0 BDADLO COc1cc(Cl)ccc1C[N@H+]1CC[C@@H]1CO ZINC000934014018 631595040 /nfs/dbraw/zinc/59/50/40/631595040.db2.gz JLQJWFFPOIRYJU-LLVKDONJSA-N 1 2 241.718 1.915 20 0 BDADLO O=C(/C=C\c1cccs1)NCCn1cc[nH+]c1 ZINC000067182145 635688659 /nfs/dbraw/zinc/68/86/59/635688659.db2.gz IAHVNOBVCPNKPL-ARJAWSKDSA-N 1 2 247.323 1.774 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934027007 631608104 /nfs/dbraw/zinc/60/81/04/631608104.db2.gz IOYYODUXEGYWBN-GFCCVEGCSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934027007 631608109 /nfs/dbraw/zinc/60/81/09/631608109.db2.gz IOYYODUXEGYWBN-GFCCVEGCSA-N 1 2 244.294 1.908 20 0 BDADLO Cc1nc(Cl)cc(NCc2c[nH+]cn2C)n1 ZINC000291251849 631656751 /nfs/dbraw/zinc/65/67/51/631656751.db2.gz YJBVIZXIMLOVIO-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124368 631702131 /nfs/dbraw/zinc/70/21/31/631702131.db2.gz HNIYFPUWMJUQFE-NXEZZACHSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124368 631702135 /nfs/dbraw/zinc/70/21/35/631702135.db2.gz HNIYFPUWMJUQFE-NXEZZACHSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2c(Cl)c(C)nn2C)C1 ZINC000892071949 631719323 /nfs/dbraw/zinc/71/93/23/631719323.db2.gz YNSXYLSEUCUUEA-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2c(Cl)c(C)nn2C)C1 ZINC000892071949 631719319 /nfs/dbraw/zinc/71/93/19/631719319.db2.gz YNSXYLSEUCUUEA-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934395868 631820914 /nfs/dbraw/zinc/82/09/14/631820914.db2.gz MMIOQVRHNHVYGM-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934568499 631937659 /nfs/dbraw/zinc/93/76/59/631937659.db2.gz VGZRCRJNSDQPKZ-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ncccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934568499 631937662 /nfs/dbraw/zinc/93/76/62/631937662.db2.gz VGZRCRJNSDQPKZ-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934568703 631941730 /nfs/dbraw/zinc/94/17/30/631941730.db2.gz VCLMDVSUNVQZFX-NWDGAFQWSA-N 1 2 242.294 1.239 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934568703 631941734 /nfs/dbraw/zinc/94/17/34/631941734.db2.gz VCLMDVSUNVQZFX-NWDGAFQWSA-N 1 2 242.294 1.239 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934578001 631950345 /nfs/dbraw/zinc/95/03/45/631950345.db2.gz YREIKNKMBMRKNQ-ADEWGFFLSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934578001 631950348 /nfs/dbraw/zinc/95/03/48/631950348.db2.gz YREIKNKMBMRKNQ-ADEWGFFLSA-N 1 2 224.279 1.547 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@]12C[C@H]1CCC2 ZINC000924435505 631973559 /nfs/dbraw/zinc/97/35/59/631973559.db2.gz SHNDHTLXZRDKCQ-ZWNOBZJWSA-N 1 2 232.283 1.897 20 0 BDADLO COc1ccncc1C[NH2+][C@H](C)c1cnnn1C ZINC000926481349 632117374 /nfs/dbraw/zinc/11/73/74/632117374.db2.gz QRGPYFYIPAJOFL-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000162172669 632529863 /nfs/dbraw/zinc/52/98/63/632529863.db2.gz QXOXARWQPKNCRU-NEPJUHHUSA-N 1 2 245.363 1.715 20 0 BDADLO Nc1cc(COC(=O)C2CCCC2)cc[nH+]1 ZINC000309579243 632544433 /nfs/dbraw/zinc/54/44/33/632544433.db2.gz RMZFAFNJMSERGF-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO Cc1nc(NCc2cccn2C)cc[nH+]1 ZINC000266436339 632605113 /nfs/dbraw/zinc/60/51/13/632605113.db2.gz FINCCSBMMOORIS-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)C2CC2)n1 ZINC000309648381 632613225 /nfs/dbraw/zinc/61/32/25/632613225.db2.gz RKZNBSRINXQGBF-MRVPVSSYSA-N 1 2 209.293 1.768 20 0 BDADLO CC(=O)N[C@H]1C[N@H+](Cc2ccon2)CC1(C)C ZINC000972701258 632629728 /nfs/dbraw/zinc/62/97/28/632629728.db2.gz APJZTWHDURVNQL-NSHDSACASA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@H]1C[N@@H+](Cc2ccon2)CC1(C)C ZINC000972701258 632629731 /nfs/dbraw/zinc/62/97/31/632629731.db2.gz APJZTWHDURVNQL-NSHDSACASA-N 1 2 237.303 1.021 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309677216 632642112 /nfs/dbraw/zinc/64/21/12/632642112.db2.gz YEZHCHXSXKXECW-GXSJLCMTSA-N 1 2 223.320 1.802 20 0 BDADLO CC1(C)C[N@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC000972712391 632644115 /nfs/dbraw/zinc/64/41/15/632644115.db2.gz MLSIFNWLLBBCPZ-SSDOTTSWSA-N 1 2 238.253 1.048 20 0 BDADLO CC1(C)C[N@@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC000972712391 632644118 /nfs/dbraw/zinc/64/41/18/632644118.db2.gz MLSIFNWLLBBCPZ-SSDOTTSWSA-N 1 2 238.253 1.048 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2COC[C@H]2C)c1 ZINC000926660528 632787754 /nfs/dbraw/zinc/78/77/54/632787754.db2.gz JQLBYGVRNGPCOU-MWLCHTKSSA-N 1 2 222.288 1.675 20 0 BDADLO COCc1nnc(C[NH2+]C2[C@H](C)CC[C@H]2C)[nH]1 ZINC000926691977 632827194 /nfs/dbraw/zinc/82/71/94/632827194.db2.gz FOWUDRIKTYIEIG-RKDXNWHRSA-N 1 2 238.335 1.475 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000079770893 632854850 /nfs/dbraw/zinc/85/48/50/632854850.db2.gz JEAITFVQLZEENU-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000079770893 632854853 /nfs/dbraw/zinc/85/48/53/632854853.db2.gz JEAITFVQLZEENU-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO CCC[C@H](C)[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894381695 635874036 /nfs/dbraw/zinc/87/40/36/635874036.db2.gz ITXHHAGZKYTASP-UWVGGRQHSA-N 1 2 238.335 1.727 20 0 BDADLO CCC[C@H](C)[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894381695 635874038 /nfs/dbraw/zinc/87/40/38/635874038.db2.gz ITXHHAGZKYTASP-UWVGGRQHSA-N 1 2 238.335 1.727 20 0 BDADLO CN(C)c1cc(NC[C@]2(C)CC2(F)F)[nH+]cn1 ZINC000894557628 635907385 /nfs/dbraw/zinc/90/73/85/635907385.db2.gz HUBRQZUGOFVNAQ-JTQLQIEISA-N 1 2 242.273 2.000 20 0 BDADLO CN(C)c1cc(NC[C@]2(C)CC2(F)F)nc[nH+]1 ZINC000894557628 635907391 /nfs/dbraw/zinc/90/73/91/635907391.db2.gz HUBRQZUGOFVNAQ-JTQLQIEISA-N 1 2 242.273 2.000 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)cn2)CC[C@H]1O ZINC000299971835 635894543 /nfs/dbraw/zinc/89/45/43/635894543.db2.gz YSTZYLBCEYAYEC-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)CC[C@H]1O ZINC000299971835 635894547 /nfs/dbraw/zinc/89/45/47/635894547.db2.gz YSTZYLBCEYAYEC-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO Nc1cc(COC(=O)C2CCC(=O)CC2)cc[nH+]1 ZINC000791994577 635896130 /nfs/dbraw/zinc/89/61/30/635896130.db2.gz NNNDLCCPNXQKFG-UHFFFAOYSA-N 1 2 248.282 1.466 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000164505884 633077606 /nfs/dbraw/zinc/07/76/06/633077606.db2.gz WQNPAVLEPZIXRH-UHFFFAOYSA-N 1 2 238.331 1.211 20 0 BDADLO O=C1CCCN1C[N@H+]1CCOC2(CCCC2)C1 ZINC000164505884 633077611 /nfs/dbraw/zinc/07/76/11/633077611.db2.gz WQNPAVLEPZIXRH-UHFFFAOYSA-N 1 2 238.331 1.211 20 0 BDADLO CC(C)COC(=O)C[NH2+]C1(CO)CCCC1 ZINC000305787119 633108897 /nfs/dbraw/zinc/10/88/97/633108897.db2.gz SCQMCNBNXIPFLM-UHFFFAOYSA-N 1 2 229.320 1.080 20 0 BDADLO C[C@@H]1[C@@H]([N@@H+]2CCO[C@@H](C(F)F)C2)CO[C@H]1C ZINC000926820973 633158038 /nfs/dbraw/zinc/15/80/38/633158038.db2.gz FPWFQBLGIASAIE-AATLWQCWSA-N 1 2 235.274 1.376 20 0 BDADLO C[C@@H]1[C@@H]([N@H+]2CCO[C@@H](C(F)F)C2)CO[C@H]1C ZINC000926820973 633158044 /nfs/dbraw/zinc/15/80/44/633158044.db2.gz FPWFQBLGIASAIE-AATLWQCWSA-N 1 2 235.274 1.376 20 0 BDADLO CO[C@@H]1CC[C@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000894938625 636010164 /nfs/dbraw/zinc/01/01/64/636010164.db2.gz BDPRTEGGBUISLJ-WDEREUQCSA-N 1 2 246.314 1.733 20 0 BDADLO COC(C)(C)CCNc1cc(N(C)C)nc[nH+]1 ZINC000894999962 636013913 /nfs/dbraw/zinc/01/39/13/636013913.db2.gz HFJAOLMEWNTVLB-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO COC(C)(C)CCNc1cc(N(C)C)[nH+]cn1 ZINC000894999962 636013916 /nfs/dbraw/zinc/01/39/16/636013916.db2.gz HFJAOLMEWNTVLB-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@H](O)c2ccccc21 ZINC000123590570 636015417 /nfs/dbraw/zinc/01/54/17/636015417.db2.gz GROJOWBLMFEDPM-AWEZNQCLSA-N 1 2 243.310 1.864 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@@H](O)c2ccccc21 ZINC000123590806 636015525 /nfs/dbraw/zinc/01/55/25/636015525.db2.gz GROJOWBLMFEDPM-CQSZACIVSA-N 1 2 243.310 1.864 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+](Cc2cnc(Cl)s2)C1 ZINC000307385062 635987931 /nfs/dbraw/zinc/98/79/31/635987931.db2.gz HLYQIHBMNKUVFF-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000307385062 635987932 /nfs/dbraw/zinc/98/79/32/635987932.db2.gz HLYQIHBMNKUVFF-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cc(C)n[nH]2)on1 ZINC000925104324 636028311 /nfs/dbraw/zinc/02/83/11/636028311.db2.gz UIOWIHZXHJAGHI-QMMMGPOBSA-N 1 2 236.275 1.566 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ncco1 ZINC000926863093 633728790 /nfs/dbraw/zinc/72/87/90/633728790.db2.gz CFIHZDGCUIBBLH-MWLCHTKSSA-N 1 2 249.314 1.336 20 0 BDADLO Cc1cc(C)[nH+]c(CN(C)Cc2nncn2C)c1 ZINC000930492782 633850187 /nfs/dbraw/zinc/85/01/87/633850187.db2.gz LDBYOQQXCAZOQA-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000309514891 633942484 /nfs/dbraw/zinc/94/24/84/633942484.db2.gz RBRIAQCDGTXFNV-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2nonc2C)s1 ZINC000309606109 633969137 /nfs/dbraw/zinc/96/91/37/633969137.db2.gz LHHRCYUBWIOEDQ-UHFFFAOYSA-N 1 2 238.316 1.741 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CCO)C1CC1 ZINC000309951868 633971545 /nfs/dbraw/zinc/97/15/45/633971545.db2.gz GKLHQPQYSMOICO-QWRGUYRKSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000309689434 633988344 /nfs/dbraw/zinc/98/83/44/633988344.db2.gz PEYBUENMKAOKOV-QWRGUYRKSA-N 1 2 229.320 1.200 20 0 BDADLO C[N@H+](Cc1nccn1C1CC1)C1(CO)CC1 ZINC000895475646 636148611 /nfs/dbraw/zinc/14/86/11/636148611.db2.gz JJPUWGNLRPYCEL-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO C[N@@H+](Cc1nccn1C1CC1)C1(CO)CC1 ZINC000895475646 636148615 /nfs/dbraw/zinc/14/86/15/636148615.db2.gz JJPUWGNLRPYCEL-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC2)[nH]n1 ZINC000895476874 636150361 /nfs/dbraw/zinc/15/03/61/636150361.db2.gz MSVZLMSYQLGBJI-LLVKDONJSA-N 1 2 234.303 1.069 20 0 BDADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC2)[nH]n1 ZINC000895476874 636150362 /nfs/dbraw/zinc/15/03/62/636150362.db2.gz MSVZLMSYQLGBJI-LLVKDONJSA-N 1 2 234.303 1.069 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ncccc1O ZINC000895487379 636150617 /nfs/dbraw/zinc/15/06/17/636150617.db2.gz ORBONXZLNYVPCP-VIFPVBQESA-N 1 2 249.314 1.599 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ncccc1O ZINC000895487379 636150621 /nfs/dbraw/zinc/15/06/21/636150621.db2.gz ORBONXZLNYVPCP-VIFPVBQESA-N 1 2 249.314 1.599 20 0 BDADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)C(=O)OC ZINC000178365461 634023163 /nfs/dbraw/zinc/02/31/63/634023163.db2.gz AVKFSPJIJBNPQF-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO CC1(C)C[C@@](C)([NH2+]CC[C@H]2CCCO2)C(=O)O1 ZINC000930871727 634147103 /nfs/dbraw/zinc/14/71/03/634147103.db2.gz FIAZJLYBSABULA-ZWNOBZJWSA-N 1 2 241.331 1.629 20 0 BDADLO CCONC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000776210804 634226805 /nfs/dbraw/zinc/22/68/05/634226805.db2.gz UHRFGYHGVVSPBE-JTQLQIEISA-N 1 2 238.291 1.181 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000931165528 634237233 /nfs/dbraw/zinc/23/72/33/634237233.db2.gz LQEKVIKPMOEUDT-CQSZACIVSA-N 1 2 249.310 1.513 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000931165528 634237241 /nfs/dbraw/zinc/23/72/41/634237241.db2.gz LQEKVIKPMOEUDT-CQSZACIVSA-N 1 2 249.310 1.513 20 0 BDADLO C[NH+](C)[C@@H](C(=O)O[C@@H]1CCOC1)c1ccccc1 ZINC000194929158 634340328 /nfs/dbraw/zinc/34/03/28/634340328.db2.gz MYVDWLMBFLFQDH-CHWSQXEVSA-N 1 2 249.310 1.621 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)c1ncccn1 ZINC001027711933 635123961 /nfs/dbraw/zinc/12/39/61/635123961.db2.gz VVPLDUKAZJDVKB-JQWIXIFHSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1ncccn1 ZINC001027711933 635123970 /nfs/dbraw/zinc/12/39/70/635123970.db2.gz VVPLDUKAZJDVKB-JQWIXIFHSA-N 1 2 248.330 1.138 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)CCO)c1F ZINC000162894722 635164112 /nfs/dbraw/zinc/16/41/12/635164112.db2.gz FXBLXAUIAOOHPR-UHFFFAOYSA-N 1 2 215.243 1.697 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)CCO)c1F ZINC000162894722 635164119 /nfs/dbraw/zinc/16/41/19/635164119.db2.gz FXBLXAUIAOOHPR-UHFFFAOYSA-N 1 2 215.243 1.697 20 0 BDADLO Cc1nnc(C[NH+]2CCC(c3cn[nH]c3)CC2)o1 ZINC000336708809 635220924 /nfs/dbraw/zinc/22/09/24/635220924.db2.gz LRDBNMNNQYYASG-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980655591 635250780 /nfs/dbraw/zinc/25/07/80/635250780.db2.gz CKRWVXDRUPCSCV-WDEREUQCSA-N 1 2 228.311 1.146 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980655591 635250790 /nfs/dbraw/zinc/25/07/90/635250790.db2.gz CKRWVXDRUPCSCV-WDEREUQCSA-N 1 2 228.311 1.146 20 0 BDADLO CNc1cc(N[C@@H](CO)CC2CCC2)nc[nH+]1 ZINC000893620182 635273712 /nfs/dbraw/zinc/27/37/12/635273712.db2.gz HWOLURXCYJDOGA-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BDADLO CNc1cc(N[C@@H](CO)CC2CCC2)[nH+]cn1 ZINC000893620182 635273715 /nfs/dbraw/zinc/27/37/15/635273715.db2.gz HWOLURXCYJDOGA-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000260296027 635317044 /nfs/dbraw/zinc/31/70/44/635317044.db2.gz YZRFILVPXSRSFC-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000260296027 635317051 /nfs/dbraw/zinc/31/70/51/635317051.db2.gz YZRFILVPXSRSFC-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO Cc1nc(C[NH2+]CC2(O)CCCCC2)no1 ZINC000235928558 635591129 /nfs/dbraw/zinc/59/11/29/635591129.db2.gz YZLYVMOHQAGYSB-UHFFFAOYSA-N 1 2 225.292 1.163 20 0 BDADLO CCc1cc(NC[C@@H](O)COC)nc(CC)[nH+]1 ZINC000893722518 635623432 /nfs/dbraw/zinc/62/34/32/635623432.db2.gz HEBXDRBXYIYLCX-SNVBAGLBSA-N 1 2 239.319 1.021 20 0 BDADLO CN(C)c1ccc(C[NH2+]Cc2c[nH]cn2)cn1 ZINC000894173170 635740391 /nfs/dbraw/zinc/74/03/91/635740391.db2.gz LSDQMFLRFYYGNV-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO CC(C)(C)C1CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000909572046 636260493 /nfs/dbraw/zinc/26/04/93/636260493.db2.gz QQDNGMCFXJIQTI-UHFFFAOYSA-N 1 2 247.342 1.998 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(O)CC1 ZINC000304336616 636322032 /nfs/dbraw/zinc/32/20/32/636322032.db2.gz SIFOZIANLPQWMX-SNVBAGLBSA-N 1 2 229.320 1.175 20 0 BDADLO CC(C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000169798055 636541746 /nfs/dbraw/zinc/54/17/46/636541746.db2.gz RWTHGVLDIVTWAR-JTQLQIEISA-N 1 2 221.304 1.360 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)[C@@H]1C=CCCC1 ZINC000179115823 636641488 /nfs/dbraw/zinc/64/14/88/636641488.db2.gz RUUHLSJVGKXTFV-LLVKDONJSA-N 1 2 231.361 1.462 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H]1C=CCCC1 ZINC000179115823 636641490 /nfs/dbraw/zinc/64/14/90/636641490.db2.gz RUUHLSJVGKXTFV-LLVKDONJSA-N 1 2 231.361 1.462 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC1=CCCCC1 ZINC000074673143 636650467 /nfs/dbraw/zinc/65/04/67/636650467.db2.gz UCKUZHQMDXZZEO-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)c(C)nn1 ZINC000929109231 636805497 /nfs/dbraw/zinc/80/54/97/636805497.db2.gz KRMSUMZARZMUQB-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)c(C)nn1 ZINC000929109231 636805505 /nfs/dbraw/zinc/80/55/05/636805505.db2.gz KRMSUMZARZMUQB-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CCSCC[NH2+]C1(c2nc(C)no2)CC1 ZINC000897898137 636845604 /nfs/dbraw/zinc/84/56/04/636845604.db2.gz ZXTZXWISRLVZIN-UHFFFAOYSA-N 1 2 227.333 1.710 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(C3CCC3)no2)O1 ZINC000923824339 636873238 /nfs/dbraw/zinc/87/32/38/636873238.db2.gz NRBDINYFGJZZRM-WCBMZHEXSA-N 1 2 237.303 1.729 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(C3CCC3)no2)O1 ZINC000923824339 636873242 /nfs/dbraw/zinc/87/32/42/636873242.db2.gz NRBDINYFGJZZRM-WCBMZHEXSA-N 1 2 237.303 1.729 20 0 BDADLO Cn1cc(C[NH2+]Cc2ncc(Cl)n2C)cn1 ZINC000041054944 636958494 /nfs/dbraw/zinc/95/84/94/636958494.db2.gz VFLZNRQESHTSHG-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO C[C@H]1C[C@@H]1c1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923920933 636986510 /nfs/dbraw/zinc/98/65/10/636986510.db2.gz JDQLVUIJNGYVIU-QCLAVDOMSA-N 1 2 237.303 1.585 20 0 BDADLO C[C@H]1C[C@@H]1c1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923920933 636986511 /nfs/dbraw/zinc/98/65/11/636986511.db2.gz JDQLVUIJNGYVIU-QCLAVDOMSA-N 1 2 237.303 1.585 20 0 BDADLO c1c[nH]c(-c2noc([C@H]3C[C@@H]3c3c[nH]c[nH+]3)n2)n1 ZINC000923897524 637031238 /nfs/dbraw/zinc/03/12/38/637031238.db2.gz YJGMBJNDPCFINK-BQBZGAKWSA-N 1 2 242.242 1.454 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1CO)c1cnn(C)n1 ZINC000924759922 637100024 /nfs/dbraw/zinc/10/00/24/637100024.db2.gz BLAWRZXEPFEYGK-SNVBAGLBSA-N 1 2 246.314 1.158 20 0 BDADLO C[C@H]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900141838 637174818 /nfs/dbraw/zinc/17/48/18/637174818.db2.gz RIYWICKQUPWXHK-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)CCN(C)C(=O)CNc1cccc[nH+]1 ZINC000900143462 637175046 /nfs/dbraw/zinc/17/50/46/637175046.db2.gz JETKVVHROMQKAM-UHFFFAOYSA-N 1 2 235.331 1.998 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900918904 637204543 /nfs/dbraw/zinc/20/45/43/637204543.db2.gz IQEYYGCVPIPCRV-UHFFFAOYSA-N 1 2 237.303 1.340 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900947032 637206584 /nfs/dbraw/zinc/20/65/84/637206584.db2.gz VZESIQBBHYOOQF-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO CCC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901026010 637227320 /nfs/dbraw/zinc/22/73/20/637227320.db2.gz MKQOKIDFMJLKMS-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO c1cn(CCSCCOC2CC2)c[nH+]1 ZINC000902581460 637310044 /nfs/dbraw/zinc/31/00/44/637310044.db2.gz XUOPUBSPSPKVRT-UHFFFAOYSA-N 1 2 212.318 1.795 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000903437732 637361663 /nfs/dbraw/zinc/36/16/63/637361663.db2.gz QFTGAIUMLZYMTL-HJIKLVIJSA-N 1 2 235.331 1.794 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCCC23OCCO3)no1 ZINC000904442581 637410233 /nfs/dbraw/zinc/41/02/33/637410233.db2.gz VEPMLDJMLQZRFN-SNVBAGLBSA-N 1 2 224.260 1.060 20 0 BDADLO C[N@H+](Cc1cn(-c2ccncc2)nn1)C(C)(C)C ZINC000905056618 637589738 /nfs/dbraw/zinc/58/97/38/637589738.db2.gz GTLODPUQASIASX-UHFFFAOYSA-N 1 2 245.330 1.893 20 0 BDADLO C[N@@H+](Cc1cn(-c2ccncc2)nn1)C(C)(C)C ZINC000905056618 637589749 /nfs/dbraw/zinc/58/97/49/637589749.db2.gz GTLODPUQASIASX-UHFFFAOYSA-N 1 2 245.330 1.893 20 0 BDADLO C[C@](O)(C[NH2+][C@H]1CCCC1(F)F)C(F)F ZINC000905263372 637716992 /nfs/dbraw/zinc/71/69/92/637716992.db2.gz UUHGBXBTIAIQID-XPUUQOCRSA-N 1 2 229.217 1.780 20 0 BDADLO CC(C)C[C@H](N)c1nc(C2([NH3+])CC2)no1 ZINC000905315166 637744671 /nfs/dbraw/zinc/74/46/71/637744671.db2.gz RDNZUXZQJDDPQX-ZETCQYMHSA-N 1 2 210.281 1.063 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCOCCF)C(=O)OC ZINC000905775812 637906272 /nfs/dbraw/zinc/90/62/72/637906272.db2.gz YPJDGWJHPOKKJY-VHSXEESVSA-N 1 2 235.299 1.150 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H](C)CSC)C(=O)OC ZINC000905762193 637916325 /nfs/dbraw/zinc/91/63/25/637916325.db2.gz RPGIGFCQHDWCER-LPEHRKFASA-N 1 2 233.377 1.915 20 0 BDADLO CC[C@](O)(C[N@@H+]1CCO[C@H](C)C1)C(F)(F)F ZINC000905893828 637967905 /nfs/dbraw/zinc/96/79/05/637967905.db2.gz BOBIXVXFPPHNCL-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@](O)(C[N@H+]1CCO[C@H](C)C1)C(F)(F)F ZINC000905893828 637967911 /nfs/dbraw/zinc/96/79/11/637967911.db2.gz BOBIXVXFPPHNCL-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CCN(CCO)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906044715 638034808 /nfs/dbraw/zinc/03/48/08/638034808.db2.gz NZGOHJIRNLDDFT-UHFFFAOYSA-N 1 2 236.315 1.461 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906284383 638126384 /nfs/dbraw/zinc/12/63/84/638126384.db2.gz YWOVKCFPLBAIHK-SNVBAGLBSA-N 1 2 236.319 1.224 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906284383 638126386 /nfs/dbraw/zinc/12/63/86/638126386.db2.gz YWOVKCFPLBAIHK-SNVBAGLBSA-N 1 2 236.319 1.224 20 0 BDADLO C[N@H+](Cc1cn(C2CC2)nn1)CC1=CCCOC1 ZINC000906314409 638141650 /nfs/dbraw/zinc/14/16/50/638141650.db2.gz VKILTTVSKHWBPK-UHFFFAOYSA-N 1 2 248.330 1.392 20 0 BDADLO C[N@@H+](Cc1cn(C2CC2)nn1)CC1=CCCOC1 ZINC000906314409 638141653 /nfs/dbraw/zinc/14/16/53/638141653.db2.gz VKILTTVSKHWBPK-UHFFFAOYSA-N 1 2 248.330 1.392 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)C[C@@H](C)O)c(C)[nH+]1 ZINC000906885603 638268773 /nfs/dbraw/zinc/26/87/73/638268773.db2.gz ZOTUFTZHRZIMGY-SNVBAGLBSA-N 1 2 236.315 1.460 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2CCOC2)c(C)[nH+]1 ZINC000907116542 638301298 /nfs/dbraw/zinc/30/12/98/638301298.db2.gz VXYXMEIOUUYTRY-LLVKDONJSA-N 1 2 234.299 1.526 20 0 BDADLO C[C@H]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000907297234 638345221 /nfs/dbraw/zinc/34/52/21/638345221.db2.gz YHMMSTDBRPTVHI-SMDDNHRTSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)CNc1cccc[nH+]1 ZINC000907328755 638356819 /nfs/dbraw/zinc/35/68/19/638356819.db2.gz WFCQGKHDVRBTIX-GWCFXTLKSA-N 1 2 249.314 1.177 20 0 BDADLO COCCC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907373070 638365524 /nfs/dbraw/zinc/36/55/24/638365524.db2.gz MOYSHFCQGHYORC-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907485330 638390169 /nfs/dbraw/zinc/39/01/69/638390169.db2.gz FCJCBPIGOGKXJM-GXSJLCMTSA-N 1 2 221.304 1.599 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000907642797 638430212 /nfs/dbraw/zinc/43/02/12/638430212.db2.gz AXSVLOPBDRDNJH-UWVGGRQHSA-N 1 2 237.303 1.033 20 0 BDADLO CCC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907736601 638459745 /nfs/dbraw/zinc/45/97/45/638459745.db2.gz FHHYMGZZVUIFKM-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CC12CCCC2 ZINC000907737625 638461696 /nfs/dbraw/zinc/46/16/96/638461696.db2.gz FRBDEKAYPQZCMY-NSHDSACASA-N 1 2 245.326 1.942 20 0 BDADLO CC1(C)C(CNC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000907921205 638511816 /nfs/dbraw/zinc/51/18/16/638511816.db2.gz JEGXGZXEGCELSK-UHFFFAOYSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccsc1 ZINC000908038492 638559117 /nfs/dbraw/zinc/55/91/17/638559117.db2.gz KKOHPQSOUCZRHJ-QMMMGPOBSA-N 1 2 235.312 1.891 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C2CC2)CCC1 ZINC000908256437 638619333 /nfs/dbraw/zinc/61/93/33/638619333.db2.gz AODICHMEGZVYIQ-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)COC(C)C ZINC000414483719 711456801 /nfs/dbraw/zinc/45/68/01/711456801.db2.gz FQMVDLGICYBQNZ-PWSUYJOCSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)C[C@H](C(=O)NC1CC(=O)C1)n1cc[nH+]c1 ZINC000908465871 638727668 /nfs/dbraw/zinc/72/76/68/638727668.db2.gz QSALVBLXFDKWKC-GFCCVEGCSA-N 1 2 249.314 1.318 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(C2CC2)CCC1 ZINC000908757901 639061522 /nfs/dbraw/zinc/06/15/22/639061522.db2.gz FLIMOAXAZQNLIJ-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO CC(C)O[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000909858267 639232857 /nfs/dbraw/zinc/23/28/57/639232857.db2.gz IKDKPNVJRQANSE-JGZJWPJOSA-N 1 2 237.303 1.024 20 0 BDADLO Cc1occc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924827808 639299961 /nfs/dbraw/zinc/29/99/61/639299961.db2.gz WBVSFVKFYZVPBB-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2nccn2C)c[nH+]1 ZINC000910460187 639456460 /nfs/dbraw/zinc/45/64/60/639456460.db2.gz WSQGUDPNNRJOCP-UHFFFAOYSA-N 1 2 247.302 1.299 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910463000 639458308 /nfs/dbraw/zinc/45/83/08/639458308.db2.gz YVCGMUGZVXOILT-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccn1 ZINC000911140964 639589277 /nfs/dbraw/zinc/58/92/77/639589277.db2.gz YKOUZGKXUSZFIN-LLVKDONJSA-N 1 2 244.298 1.546 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000930245673 639655398 /nfs/dbraw/zinc/65/53/98/639655398.db2.gz SIFIBMBDQFLUSV-XXJOZFEBSA-N 1 2 229.295 1.786 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000930245673 639655402 /nfs/dbraw/zinc/65/54/02/639655402.db2.gz SIFIBMBDQFLUSV-XXJOZFEBSA-N 1 2 229.295 1.786 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000911610468 639676564 /nfs/dbraw/zinc/67/65/64/639676564.db2.gz XKWLJINUNPBNCD-OPRDCNLKSA-N 1 2 219.288 1.257 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1CCOC1CC1 ZINC000930470458 639765276 /nfs/dbraw/zinc/76/52/76/639765276.db2.gz VNEQVLKEXXEROZ-VIFPVBQESA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1CCOC1CC1 ZINC000930470458 639765278 /nfs/dbraw/zinc/76/52/78/639765278.db2.gz VNEQVLKEXXEROZ-VIFPVBQESA-N 1 2 235.274 1.521 20 0 BDADLO Cc1cc(C[N@@H+](C(C)C)C2COC2)c(C)nn1 ZINC000930593721 639815102 /nfs/dbraw/zinc/81/51/02/639815102.db2.gz CTUWMDTXCINHFL-UHFFFAOYSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@H+](C(C)C)C2COC2)c(C)nn1 ZINC000930593721 639815104 /nfs/dbraw/zinc/81/51/04/639815104.db2.gz CTUWMDTXCINHFL-UHFFFAOYSA-N 1 2 235.331 1.703 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C(C)C)ns1 ZINC000930598312 639816026 /nfs/dbraw/zinc/81/60/26/639816026.db2.gz KYQOLGJTOAKRGQ-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C(C)C)ns1 ZINC000930598312 639816027 /nfs/dbraw/zinc/81/60/27/639816027.db2.gz KYQOLGJTOAKRGQ-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CC[C@@H](F)C1 ZINC000930602841 639817203 /nfs/dbraw/zinc/81/72/03/639817203.db2.gz DZDJHTPBAMZFFX-WHXYTISESA-N 1 2 201.241 1.150 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CC[C@@H](F)C1 ZINC000930602841 639817204 /nfs/dbraw/zinc/81/72/04/639817204.db2.gz DZDJHTPBAMZFFX-WHXYTISESA-N 1 2 201.241 1.150 20 0 BDADLO Cc1cc(NC(=O)NC/C=C\Cl)c(C)c[nH+]1 ZINC000930626236 639830242 /nfs/dbraw/zinc/83/02/42/639830242.db2.gz LVLPCZLCYNNMCR-ARJAWSKDSA-N 1 2 239.706 1.994 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nncs2)CC1(C)C ZINC000930639626 639833746 /nfs/dbraw/zinc/83/37/46/639833746.db2.gz IOAWXTOGFVBDES-VIFPVBQESA-N 1 2 241.360 1.785 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nncs2)CC1(C)C ZINC000930639626 639833750 /nfs/dbraw/zinc/83/37/50/639833750.db2.gz IOAWXTOGFVBDES-VIFPVBQESA-N 1 2 241.360 1.785 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1C ZINC000930643058 639839030 /nfs/dbraw/zinc/83/90/30/639839030.db2.gz QRBOQDFPSAGBMX-JTQLQIEISA-N 1 2 248.326 1.324 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1C ZINC000930643058 639839033 /nfs/dbraw/zinc/83/90/33/639839033.db2.gz QRBOQDFPSAGBMX-JTQLQIEISA-N 1 2 248.326 1.324 20 0 BDADLO CCOCCOCC[NH2+][C@H](C)c1csnn1 ZINC000930727702 639881367 /nfs/dbraw/zinc/88/13/67/639881367.db2.gz XCCBOEHLBOPRNW-SECBINFHSA-N 1 2 245.348 1.242 20 0 BDADLO CCOCCOCC[NH2+][C@@H](C)c1csnn1 ZINC000930727703 639882311 /nfs/dbraw/zinc/88/23/11/639882311.db2.gz XCCBOEHLBOPRNW-VIFPVBQESA-N 1 2 245.348 1.242 20 0 BDADLO Cc1nnc(CC[N@@H+]2CCC=C(Cl)C2)o1 ZINC000930843020 639940299 /nfs/dbraw/zinc/94/02/99/639940299.db2.gz NNKIGBJEPQMDTO-UHFFFAOYSA-N 1 2 227.695 1.749 20 0 BDADLO Cc1nnc(CC[N@H+]2CCC=C(Cl)C2)o1 ZINC000930843020 639940307 /nfs/dbraw/zinc/94/03/07/639940307.db2.gz NNKIGBJEPQMDTO-UHFFFAOYSA-N 1 2 227.695 1.749 20 0 BDADLO CC1(C)C[C@@](C)([NH2+]CC[C@@H]2CCCO2)C(=O)O1 ZINC000930871725 639962207 /nfs/dbraw/zinc/96/22/07/639962207.db2.gz FIAZJLYBSABULA-GXFFZTMASA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H](C1CC1)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000930964966 640002326 /nfs/dbraw/zinc/00/23/26/640002326.db2.gz RODIBPVOARXINC-CBAPKCEASA-N 1 2 205.248 1.487 20 0 BDADLO C[C@@H](C1CC1)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000930964966 640002336 /nfs/dbraw/zinc/00/23/36/640002336.db2.gz RODIBPVOARXINC-CBAPKCEASA-N 1 2 205.248 1.487 20 0 BDADLO [NH3+]C1CC(CC(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000912249192 640010463 /nfs/dbraw/zinc/01/04/63/640010463.db2.gz ICFAMXSUVROMME-UHFFFAOYSA-N 1 2 245.286 1.024 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1cscn1 ZINC000912393100 640051287 /nfs/dbraw/zinc/05/12/87/640051287.db2.gz ZVXWUTYLGHLONX-ZETCQYMHSA-N 1 2 236.300 1.286 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931081188 640061569 /nfs/dbraw/zinc/06/15/69/640061569.db2.gz XAPVEFZRTJKXJL-LHJMJDNXSA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931081188 640061577 /nfs/dbraw/zinc/06/15/77/640061577.db2.gz XAPVEFZRTJKXJL-LHJMJDNXSA-N 1 2 249.301 1.935 20 0 BDADLO CC(C)(C)OCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912463047 640070104 /nfs/dbraw/zinc/07/01/04/640070104.db2.gz QBZYYHODRMIJLG-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO C(c1noc2c1COCC2)[NH+](C1CC1)C1CC1 ZINC000931178825 640092373 /nfs/dbraw/zinc/09/23/73/640092373.db2.gz KTMIHHRKUWSSMW-UHFFFAOYSA-N 1 2 234.299 1.874 20 0 BDADLO C[N@H+](CCC1=CCCCC1)C1CS(=O)(=O)C1 ZINC000931236152 640110404 /nfs/dbraw/zinc/11/04/04/640110404.db2.gz SQGAUYJAWNUSQG-UHFFFAOYSA-N 1 2 243.372 1.606 20 0 BDADLO C[N@@H+](CCC1=CCCCC1)C1CS(=O)(=O)C1 ZINC000931236152 640110410 /nfs/dbraw/zinc/11/04/10/640110410.db2.gz SQGAUYJAWNUSQG-UHFFFAOYSA-N 1 2 243.372 1.606 20 0 BDADLO CC(C)(CNC(=O)CCF)n1cc[nH+]c1 ZINC000912615472 640140740 /nfs/dbraw/zinc/14/07/40/640140740.db2.gz XWVISTSUEFTGCC-UHFFFAOYSA-N 1 2 213.256 1.094 20 0 BDADLO CSC1CC[NH+](Cc2nncs2)CC1 ZINC000931377852 640169396 /nfs/dbraw/zinc/16/93/96/640169396.db2.gz RCPHHXFNPNEPQC-UHFFFAOYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1C[NH+](CCN2CC[C@@H]2C(F)F)C[C@@H](C)O1 ZINC000931425632 640195535 /nfs/dbraw/zinc/19/55/35/640195535.db2.gz GDGPMJMVCXCAOR-GMTAPVOTSA-N 1 2 248.317 1.435 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)Cc2c[nH]nc21 ZINC000931451502 640209801 /nfs/dbraw/zinc/20/98/01/640209801.db2.gz BZUVCEMEZHEWSB-MRVPVSSYSA-N 1 2 218.260 1.517 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)Cc2c[nH]nc21 ZINC000931451502 640209810 /nfs/dbraw/zinc/20/98/10/640209810.db2.gz BZUVCEMEZHEWSB-MRVPVSSYSA-N 1 2 218.260 1.517 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc[nH]2)Cc2c[nH]nc21 ZINC000931459261 640216248 /nfs/dbraw/zinc/21/62/48/640216248.db2.gz NHUREFUPYSZUCS-QMMMGPOBSA-N 1 2 217.276 1.252 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc[nH]2)Cc2c[nH]nc21 ZINC000931459261 640216253 /nfs/dbraw/zinc/21/62/53/640216253.db2.gz NHUREFUPYSZUCS-QMMMGPOBSA-N 1 2 217.276 1.252 20 0 BDADLO Cc1ncc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)o1 ZINC000931465565 640227358 /nfs/dbraw/zinc/22/73/58/640227358.db2.gz HUKLETGHFAOHNT-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1ncc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)o1 ZINC000931465565 640227361 /nfs/dbraw/zinc/22/73/61/640227361.db2.gz HUKLETGHFAOHNT-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1CC=CC1 ZINC000912989129 640274949 /nfs/dbraw/zinc/27/49/49/640274949.db2.gz GGDYLRJPFLLELA-UHFFFAOYSA-N 1 2 205.261 1.035 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000913057140 640296176 /nfs/dbraw/zinc/29/61/76/640296176.db2.gz IQYXPXQPSMULMT-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)CC1COC1)CCN2 ZINC000913177088 640318742 /nfs/dbraw/zinc/31/87/42/640318742.db2.gz COYSMLVHXAAMFP-UHFFFAOYSA-N 1 2 247.298 1.185 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](CC)CO ZINC000931774809 640366560 /nfs/dbraw/zinc/36/65/60/640366560.db2.gz NVAWIMAOFDRXRM-GHMZBOCLSA-N 1 2 231.336 1.325 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC12CC2 ZINC000913427450 640367541 /nfs/dbraw/zinc/36/75/41/640367541.db2.gz NOFNFLWJOMEMQL-SNVBAGLBSA-N 1 2 219.288 1.401 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3nccn3C)C2)no1 ZINC000931935358 640397643 /nfs/dbraw/zinc/39/76/43/640397643.db2.gz LJERGBMLLMKWKP-JTQLQIEISA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3nccn3C)C2)no1 ZINC000931935358 640397649 /nfs/dbraw/zinc/39/76/49/640397649.db2.gz LJERGBMLLMKWKP-JTQLQIEISA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932337696 640479813 /nfs/dbraw/zinc/47/98/13/640479813.db2.gz ZSBVPCGWBFEUAT-IUCAKERBSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932337696 640479817 /nfs/dbraw/zinc/47/98/17/640479817.db2.gz ZSBVPCGWBFEUAT-IUCAKERBSA-N 1 2 224.308 1.285 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932357279 640498503 /nfs/dbraw/zinc/49/85/03/640498503.db2.gz ZOOKNWOPJXEPMS-GFCCVEGCSA-N 1 2 248.330 1.044 20 0 BDADLO CC(=O)NC1C[NH+](CCOc2ccccc2C)C1 ZINC001030037075 640528648 /nfs/dbraw/zinc/52/86/48/640528648.db2.gz MLANDORIKZQLOP-UHFFFAOYSA-N 1 2 248.326 1.194 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030043995 640537801 /nfs/dbraw/zinc/53/78/01/640537801.db2.gz NFTHLUPGMKCOOM-UHFFFAOYSA-N 1 2 236.359 1.943 20 0 BDADLO O=C(C[C@@H]1CC=CCC1)NCCc1[nH]cc[nH+]1 ZINC000932475941 640542664 /nfs/dbraw/zinc/54/26/64/640542664.db2.gz SUVDXMHWHDVYOP-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000932476234 640543090 /nfs/dbraw/zinc/54/30/90/640543090.db2.gz XYUSSRBGVWRIKF-ZSBIGDGJSA-N 1 2 247.342 1.895 20 0 BDADLO CCCC[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001030051245 640546306 /nfs/dbraw/zinc/54/63/06/640546306.db2.gz YMMQBAZLICATEW-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C)C1 ZINC001030070765 640573991 /nfs/dbraw/zinc/57/39/91/640573991.db2.gz ARLVEMRQWMTBSP-PWSUYJOCSA-N 1 2 222.332 1.409 20 0 BDADLO CSCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000932587660 640577813 /nfs/dbraw/zinc/57/78/13/640577813.db2.gz NVDUWNYIMRBEPG-UHFFFAOYSA-N 1 2 241.360 1.953 20 0 BDADLO CSCC1CC[NH+](Cc2ncnn2C)CC1 ZINC000932591803 640581089 /nfs/dbraw/zinc/58/10/89/640581089.db2.gz HIPMDHNSTNOJQO-UHFFFAOYSA-N 1 2 240.376 1.390 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603211 640581973 /nfs/dbraw/zinc/58/19/73/640581973.db2.gz SWEVWBKYOXTKBY-SNVBAGLBSA-N 1 2 235.331 1.347 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603211 640581979 /nfs/dbraw/zinc/58/19/79/640581979.db2.gz SWEVWBKYOXTKBY-SNVBAGLBSA-N 1 2 235.331 1.347 20 0 BDADLO CCC1(CC(=O)Nc2cc[nH+]c(C)c2)COC1 ZINC000932607498 640583142 /nfs/dbraw/zinc/58/31/42/640583142.db2.gz TZBXXHPSISWCCA-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO CC[C@@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000932611700 640585176 /nfs/dbraw/zinc/58/51/76/640585176.db2.gz AGCKRDDNLYJMIS-GFCCVEGCSA-N 1 2 233.271 1.434 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C(C)C)C1 ZINC001030109351 640599611 /nfs/dbraw/zinc/59/96/11/640599611.db2.gz ZWLGKFHGKMFWSI-UHFFFAOYSA-N 1 2 210.321 1.409 20 0 BDADLO CC(C)C(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001030113812 640606126 /nfs/dbraw/zinc/60/61/26/640606126.db2.gz WQHMOUACEXQHRV-UHFFFAOYSA-N 1 2 232.327 1.643 20 0 BDADLO CCSCC[N@@H+]1CC(=O)CC[C@@H]1C ZINC000932869359 640631246 /nfs/dbraw/zinc/63/12/46/640631246.db2.gz AFYNYVQBXXZBQJ-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CCSCC[N@H+]1CC(=O)CC[C@@H]1C ZINC000932869359 640631248 /nfs/dbraw/zinc/63/12/48/640631248.db2.gz AFYNYVQBXXZBQJ-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CCO[C@H](C[N@@H+]1CC(=O)CC[C@@H]1C)C1CC1 ZINC000932876093 640634834 /nfs/dbraw/zinc/63/48/34/640634834.db2.gz HPEQHTLHAGDLDD-GXFFZTMASA-N 1 2 225.332 1.855 20 0 BDADLO CCO[C@H](C[N@H+]1CC(=O)CC[C@@H]1C)C1CC1 ZINC000932876093 640634837 /nfs/dbraw/zinc/63/48/37/640634837.db2.gz HPEQHTLHAGDLDD-GXFFZTMASA-N 1 2 225.332 1.855 20 0 BDADLO NC(=O)C12CCC(CC1)[N@@H+]2Cc1ccnc(F)c1 ZINC000932937912 640649816 /nfs/dbraw/zinc/64/98/16/640649816.db2.gz UROIVFSHSCPYEW-UHFFFAOYSA-N 1 2 249.289 1.203 20 0 BDADLO NC(=O)C12CCC(CC1)[N@H+]2Cc1ccnc(F)c1 ZINC000932937912 640649819 /nfs/dbraw/zinc/64/98/19/640649819.db2.gz UROIVFSHSCPYEW-UHFFFAOYSA-N 1 2 249.289 1.203 20 0 BDADLO CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000932977748 640660629 /nfs/dbraw/zinc/66/06/29/640660629.db2.gz XPFBGKKHEZBRES-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000932977748 640660632 /nfs/dbraw/zinc/66/06/32/640660632.db2.gz XPFBGKKHEZBRES-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2CC(C)C2)C1 ZINC001030202046 640678301 /nfs/dbraw/zinc/67/83/01/640678301.db2.gz AJPFEXDMIWRIIQ-UHFFFAOYSA-N 1 2 236.359 1.799 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cncs1 ZINC000933232211 640688435 /nfs/dbraw/zinc/68/84/35/640688435.db2.gz YXNDWBPTOXOPQB-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cncs1 ZINC000933232211 640688441 /nfs/dbraw/zinc/68/84/41/640688441.db2.gz YXNDWBPTOXOPQB-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@@H]1CCCO1)C2 ZINC000933262358 640691100 /nfs/dbraw/zinc/69/11/00/640691100.db2.gz DXHOUBDUKZQFKQ-NSHDSACASA-N 1 2 235.331 1.440 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000933262358 640691103 /nfs/dbraw/zinc/69/11/03/640691103.db2.gz DXHOUBDUKZQFKQ-NSHDSACASA-N 1 2 235.331 1.440 20 0 BDADLO c1nsnc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933373189 640710187 /nfs/dbraw/zinc/71/01/87/640710187.db2.gz NIFASBGJHHUFRH-JTQLQIEISA-N 1 2 239.344 1.729 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001030302188 640740540 /nfs/dbraw/zinc/74/05/40/640740540.db2.gz DQCHHYFILQMMRP-GXSJLCMTSA-N 1 2 248.326 1.837 20 0 BDADLO FCC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933675555 640741798 /nfs/dbraw/zinc/74/17/98/640741798.db2.gz PIWVCZGTSKBBFH-MNOVXSKESA-N 1 2 217.284 1.083 20 0 BDADLO FCC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933675555 640741803 /nfs/dbraw/zinc/74/18/03/640741803.db2.gz PIWVCZGTSKBBFH-MNOVXSKESA-N 1 2 217.284 1.083 20 0 BDADLO CNc1cc(NCc2cnn(C)c2C)nc[nH+]1 ZINC000226341179 640750977 /nfs/dbraw/zinc/75/09/77/640750977.db2.gz RTEFWLHKDCVTLT-UHFFFAOYSA-N 1 2 232.291 1.172 20 0 BDADLO CNc1cc(NCc2cnn(C)c2C)[nH+]cn1 ZINC000226341179 640750979 /nfs/dbraw/zinc/75/09/79/640750979.db2.gz RTEFWLHKDCVTLT-UHFFFAOYSA-N 1 2 232.291 1.172 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000227934930 640854459 /nfs/dbraw/zinc/85/44/59/640854459.db2.gz RGBWZPWRJKKOBN-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccc(O)c2)C1 ZINC000087182679 640858196 /nfs/dbraw/zinc/85/81/96/640858196.db2.gz NKHLLQQDJJIAFR-UHFFFAOYSA-N 1 2 221.300 1.595 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000228100105 640862066 /nfs/dbraw/zinc/86/20/66/640862066.db2.gz CDXCETXOKJTAQF-VREQRIBMSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000228100105 640862070 /nfs/dbraw/zinc/86/20/70/640862070.db2.gz CDXCETXOKJTAQF-VREQRIBMSA-N 1 2 227.304 1.215 20 0 BDADLO Cc1cc(C[NH2+]Cc2cncc(C)c2)no1 ZINC000228683609 640889343 /nfs/dbraw/zinc/88/93/43/640889343.db2.gz KNBRCCIFUIMZOL-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccc(CC)o2)C1 ZINC001030538801 640904944 /nfs/dbraw/zinc/90/49/44/640904944.db2.gz SVDYMXZUHFFPPX-UHFFFAOYSA-N 1 2 236.315 1.666 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)ccc2OC)C1 ZINC001030631292 641005943 /nfs/dbraw/zinc/00/59/43/641005943.db2.gz QIPQBTGJFCKLRV-UHFFFAOYSA-N 1 2 248.326 1.438 20 0 BDADLO CCCNc1cc(NCC[C@@H](C)O)nc[nH+]1 ZINC000087831794 641063640 /nfs/dbraw/zinc/06/36/40/641063640.db2.gz YKBXOLUURVFOEZ-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(NCC[C@@H](C)O)[nH+]cn1 ZINC000087831794 641063642 /nfs/dbraw/zinc/06/36/42/641063642.db2.gz YKBXOLUURVFOEZ-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103508 641065112 /nfs/dbraw/zinc/06/51/12/641065112.db2.gz BMXNAJYGDOTLEH-UWVGGRQHSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103508 641065113 /nfs/dbraw/zinc/06/51/13/641065113.db2.gz BMXNAJYGDOTLEH-UWVGGRQHSA-N 1 2 243.738 1.683 20 0 BDADLO CCC(O)(CC)CNc1cc(NC)nc[nH+]1 ZINC000087836618 641065737 /nfs/dbraw/zinc/06/57/37/641065737.db2.gz XBBCDENNBIVBNI-UHFFFAOYSA-N 1 2 224.308 1.481 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000934106000 641068201 /nfs/dbraw/zinc/06/82/01/641068201.db2.gz ACEMAGDCDQSVOO-VXGBXAGGSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000934106000 641068207 /nfs/dbraw/zinc/06/82/07/641068207.db2.gz ACEMAGDCDQSVOO-VXGBXAGGSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nccs1 ZINC000934117196 641083868 /nfs/dbraw/zinc/08/38/68/641083868.db2.gz ZNWZSYBPDSWZSU-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nccs1 ZINC000934117196 641083873 /nfs/dbraw/zinc/08/38/73/641083873.db2.gz ZNWZSYBPDSWZSU-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO CCc1noc(C[N@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934131031 641084343 /nfs/dbraw/zinc/08/43/43/641084343.db2.gz IOIFCBJMLJDDKW-IUCAKERBSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934131031 641084348 /nfs/dbraw/zinc/08/43/48/641084348.db2.gz IOIFCBJMLJDDKW-IUCAKERBSA-N 1 2 225.292 1.241 20 0 BDADLO COc1c(C)c[nH+]c(CNC(C)=O)c1C ZINC000050449254 641151381 /nfs/dbraw/zinc/15/13/81/641151381.db2.gz XHDWZGBUHKBIRR-UHFFFAOYSA-N 1 2 208.261 1.343 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567945 641191666 /nfs/dbraw/zinc/19/16/66/641191666.db2.gz SXYZARFHTNCGRW-RKDXNWHRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncsc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567945 641191673 /nfs/dbraw/zinc/19/16/73/641191673.db2.gz SXYZARFHTNCGRW-RKDXNWHRSA-N 1 2 230.308 1.356 20 0 BDADLO C[C@@H](Cc1cccc(F)c1)[NH2+]CC(F)(F)CO ZINC000231793192 641200276 /nfs/dbraw/zinc/20/02/76/641200276.db2.gz KWRRRUUHLTWTNX-VIFPVBQESA-N 1 2 247.260 1.974 20 0 BDADLO COc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934571286 641200454 /nfs/dbraw/zinc/20/04/54/641200454.db2.gz QYKRGYKYJQYKHA-STQMWFEESA-N 1 2 239.290 1.600 20 0 BDADLO COc1cccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934571286 641200460 /nfs/dbraw/zinc/20/04/60/641200460.db2.gz QYKRGYKYJQYKHA-STQMWFEESA-N 1 2 239.290 1.600 20 0 BDADLO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934584356 641210637 /nfs/dbraw/zinc/21/06/37/641210637.db2.gz XIBJIFGWCIGNAY-UWVGGRQHSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)CC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934584356 641210641 /nfs/dbraw/zinc/21/06/41/641210641.db2.gz XIBJIFGWCIGNAY-UWVGGRQHSA-N 1 2 247.310 1.123 20 0 BDADLO C[C@@H]([NH2+]Cc1ccno1)c1cncs1 ZINC000231884069 641211926 /nfs/dbraw/zinc/21/19/26/641211926.db2.gz GPWUQODARXSRDO-SSDOTTSWSA-N 1 2 209.274 1.982 20 0 BDADLO Oc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000088052728 641280332 /nfs/dbraw/zinc/28/03/32/641280332.db2.gz XPLIVYSPOMWCOO-UHFFFAOYSA-N 1 2 204.229 1.670 20 0 BDADLO CC[C@](C)(O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000311232242 641332614 /nfs/dbraw/zinc/33/26/14/641332614.db2.gz JTBNTTDUSWZJQX-LBPRGKRZSA-N 1 2 249.318 1.182 20 0 BDADLO CC(=O)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935136412 641346318 /nfs/dbraw/zinc/34/63/18/641346318.db2.gz ZXRATHOKKHZVMR-UHFFFAOYSA-N 1 2 245.282 1.614 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CC[C@H](F)C1 ZINC001030850474 641382657 /nfs/dbraw/zinc/38/26/57/641382657.db2.gz GTHDVXHTXPOBKL-UWVGGRQHSA-N 1 2 246.301 1.285 20 0 BDADLO CCc1ccccc1C(=O)NC1C[NH+](CC)C1 ZINC001030864355 641390992 /nfs/dbraw/zinc/39/09/92/641390992.db2.gz YLNAOMFQLWFHDM-UHFFFAOYSA-N 1 2 232.327 1.683 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001030869917 641392725 /nfs/dbraw/zinc/39/27/25/641392725.db2.gz VZJXHWOBUSLGDE-MNOVXSKESA-N 1 2 224.348 1.633 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935574766 641430954 /nfs/dbraw/zinc/43/09/54/641430954.db2.gz FWULBDHPDODHKS-DTWKUNHWSA-N 1 2 247.298 1.716 20 0 BDADLO CC(C)C1(O)C[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307975190 711501765 /nfs/dbraw/zinc/50/17/65/711501765.db2.gz FMHWXNGQDTUGQS-QMMMGPOBSA-N 1 2 241.253 1.002 20 0 BDADLO Cc1cnc(C(=O)NCc2c[nH+]cn2C)cc1C ZINC000936024569 641519359 /nfs/dbraw/zinc/51/93/59/641519359.db2.gz MLISJDLHKIODNX-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000936047026 641522708 /nfs/dbraw/zinc/52/27/08/641522708.db2.gz FWULBDHPDODHKS-BDAKNGLRSA-N 1 2 247.298 1.716 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001031010905 641587726 /nfs/dbraw/zinc/58/77/26/641587726.db2.gz QWDHSTPVINFVJT-UHFFFAOYSA-N 1 2 246.301 1.632 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C=CCC1 ZINC000914285228 641630892 /nfs/dbraw/zinc/63/08/92/641630892.db2.gz PKLSKHQUPLDWRS-VIFPVBQESA-N 1 2 205.261 1.035 20 0 BDADLO CS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000159001559 641659749 /nfs/dbraw/zinc/65/97/49/641659749.db2.gz SXXQQHMCDAQMSG-UHFFFAOYSA-N 1 2 238.268 1.211 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+](C)CCOCC1CC1 ZINC000929825742 641703937 /nfs/dbraw/zinc/70/39/37/641703937.db2.gz RNXKRJWGSHCYHS-NSHDSACASA-N 1 2 235.331 1.896 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+](C)CCOCC1CC1 ZINC000929825742 641703941 /nfs/dbraw/zinc/70/39/41/641703941.db2.gz RNXKRJWGSHCYHS-NSHDSACASA-N 1 2 235.331 1.896 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ncccc2F)C1 ZINC001031145637 641732974 /nfs/dbraw/zinc/73/29/74/641732974.db2.gz LYKHYUPVEVCXIV-UHFFFAOYSA-N 1 2 237.278 1.045 20 0 BDADLO COC[C@@H](C)C[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000187907645 641734408 /nfs/dbraw/zinc/73/44/08/641734408.db2.gz LSFRBTRUAZHEJO-QWRGUYRKSA-N 1 2 231.336 1.446 20 0 BDADLO COc1ccccc1OC(=O)CCc1c[nH]c[nH+]1 ZINC000188474053 641760054 /nfs/dbraw/zinc/76/00/54/641760054.db2.gz ASPYSAYDRPDMOK-UHFFFAOYSA-N 1 2 246.266 1.957 20 0 BDADLO COc1ccccc1OC(=O)CCc1c[nH+]c[nH]1 ZINC000188474053 641760059 /nfs/dbraw/zinc/76/00/59/641760059.db2.gz ASPYSAYDRPDMOK-UHFFFAOYSA-N 1 2 246.266 1.957 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC000754382750 641762609 /nfs/dbraw/zinc/76/26/09/641762609.db2.gz GLZDTIJASHERRV-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC000754382747 641763000 /nfs/dbraw/zinc/76/30/00/641763000.db2.gz GLZDTIJASHERRV-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CNc1cc(N(C)C[C@@H]2CCCCO2)nc[nH+]1 ZINC000130382649 641826481 /nfs/dbraw/zinc/82/64/81/641826481.db2.gz VHTPNWDTCSRICT-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N(C)C[C@@H]2CCCCO2)[nH+]cn1 ZINC000130382649 641826486 /nfs/dbraw/zinc/82/64/86/641826486.db2.gz VHTPNWDTCSRICT-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCN(C(=O)c1ccsc1)C1C[NH+](CC)C1 ZINC000949641960 641848902 /nfs/dbraw/zinc/84/89/02/641848902.db2.gz NBSRCZWWABWZTO-UHFFFAOYSA-N 1 2 238.356 1.914 20 0 BDADLO CCC(=O)CC[NH+]1CCN(CC2CC2)CC1 ZINC000190193354 641849912 /nfs/dbraw/zinc/84/99/12/641849912.db2.gz JVXUAKGIZFBKEC-UHFFFAOYSA-N 1 2 224.348 1.383 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001031274540 641871570 /nfs/dbraw/zinc/87/15/70/641871570.db2.gz MKATVTWYDQPQKK-JTQLQIEISA-N 1 2 233.315 1.005 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001031285569 641873813 /nfs/dbraw/zinc/87/38/13/641873813.db2.gz KZHWCKYFNLNKOK-XYPYZODXSA-N 1 2 224.348 1.633 20 0 BDADLO CC(C)(C)C(=O)NC1C[NH+](CCCF)C1 ZINC001031293089 641874264 /nfs/dbraw/zinc/87/42/64/641874264.db2.gz MTPBYJMWLUPQFL-UHFFFAOYSA-N 1 2 216.300 1.193 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](CCC(C)=O)C1CC1 ZINC000190825628 641890218 /nfs/dbraw/zinc/89/02/18/641890218.db2.gz PYTVKPGLASCLKK-SNVBAGLBSA-N 1 2 227.304 1.382 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](CCC(C)=O)C1CC1 ZINC000190825628 641890221 /nfs/dbraw/zinc/89/02/21/641890221.db2.gz PYTVKPGLASCLKK-SNVBAGLBSA-N 1 2 227.304 1.382 20 0 BDADLO C[C@H]([NH2+][C@H]1CCSC1)C(=O)OC1CCCC1 ZINC000192006401 641955734 /nfs/dbraw/zinc/95/57/34/641955734.db2.gz MODJCNSLRPMFOU-UWVGGRQHSA-N 1 2 243.372 1.956 20 0 BDADLO Cc1nc(N[C@@](C)(CO)C2CC2)cc[nH+]1 ZINC000154292784 642019506 /nfs/dbraw/zinc/01/95/06/642019506.db2.gz DLRLGXCJTDLPQU-NSHDSACASA-N 1 2 207.277 1.358 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2c[nH]cc2C)C1 ZINC001031382333 642041864 /nfs/dbraw/zinc/04/18/64/642041864.db2.gz QEJLOMPDCJWOEY-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ncco2)CC1=O ZINC000925452078 642198353 /nfs/dbraw/zinc/19/83/53/642198353.db2.gz GKNXYRVNLDDBBJ-ZJUUUORDSA-N 1 2 237.303 1.335 20 0 BDADLO C[N@H+](C[C@H]1CCCCO1)CN1CCSC1=O ZINC000918732352 642260450 /nfs/dbraw/zinc/26/04/50/642260450.db2.gz ONYGKENPPJBGPG-SNVBAGLBSA-N 1 2 244.360 1.614 20 0 BDADLO C[N@@H+](C[C@H]1CCCCO1)CN1CCSC1=O ZINC000918732352 642260456 /nfs/dbraw/zinc/26/04/56/642260456.db2.gz ONYGKENPPJBGPG-SNVBAGLBSA-N 1 2 244.360 1.614 20 0 BDADLO C[C@H](O)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933128433 642354753 /nfs/dbraw/zinc/35/47/53/642354753.db2.gz PJYDLLBHLZSXBR-QMMMGPOBSA-N 1 2 233.271 1.064 20 0 BDADLO CC1CC(C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031608966 642370358 /nfs/dbraw/zinc/37/03/58/642370358.db2.gz HFEUHDBYKVJMKZ-UHFFFAOYSA-N 1 2 228.311 1.050 20 0 BDADLO Cn1cnn(C[N@H+](C)CC2CC2)c1=S ZINC000919941921 642410284 /nfs/dbraw/zinc/41/02/84/642410284.db2.gz DQGNFCJPGCCGPW-UHFFFAOYSA-N 1 2 212.322 1.250 20 0 BDADLO Cn1cnn(C[N@@H+](C)CC2CC2)c1=S ZINC000919941921 642410290 /nfs/dbraw/zinc/41/02/90/642410290.db2.gz DQGNFCJPGCCGPW-UHFFFAOYSA-N 1 2 212.322 1.250 20 0 BDADLO CN(CCCn1cc[nH+]c1)Cc1nncs1 ZINC000930123780 642463961 /nfs/dbraw/zinc/46/39/61/642463961.db2.gz BIJZMAZPIPELSB-UHFFFAOYSA-N 1 2 237.332 1.257 20 0 BDADLO COc1ccc2ccc(NCCO)[nH+]c2c1 ZINC000891401393 642471515 /nfs/dbraw/zinc/47/15/15/642471515.db2.gz HSSTYHYWFQFFHU-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO CSCCC[NH2+][C@]1(C)CCOC1=O ZINC000308249910 642512842 /nfs/dbraw/zinc/51/28/42/642512842.db2.gz BDFOBANGTQMVKG-SECBINFHSA-N 1 2 203.307 1.035 20 0 BDADLO CC(C)COC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000305757374 642685455 /nfs/dbraw/zinc/68/54/55/642685455.db2.gz ARXYVKRDJOOUFC-NSHDSACASA-N 1 2 243.347 1.278 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(F)F ZINC000175465110 642687053 /nfs/dbraw/zinc/68/70/53/642687053.db2.gz CAIXUVTVGYYUJH-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(F)F ZINC000175465110 642687062 /nfs/dbraw/zinc/68/70/62/642687062.db2.gz CAIXUVTVGYYUJH-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001009838965 642844708 /nfs/dbraw/zinc/84/47/08/642844708.db2.gz DSMBRRDKHSKFNO-SGRBOOSSSA-N 1 2 248.729 1.678 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001009838965 642844713 /nfs/dbraw/zinc/84/47/13/642844713.db2.gz DSMBRRDKHSKFNO-SGRBOOSSSA-N 1 2 248.729 1.678 20 0 BDADLO OC[C@H](CC(F)F)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353590447 642880009 /nfs/dbraw/zinc/88/00/09/642880009.db2.gz UFHGKTXWXBIZRL-CBAPKCEASA-N 1 2 245.273 1.393 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069890314 642927906 /nfs/dbraw/zinc/92/79/06/642927906.db2.gz RPZSOXKOJNEZFH-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO COc1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000070261564 643006892 /nfs/dbraw/zinc/00/68/92/643006892.db2.gz ODJCXAZRHJFKFR-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](C)C1CC1 ZINC000063737116 643104686 /nfs/dbraw/zinc/10/46/86/643104686.db2.gz FFZJXYUKABCMGO-GHMZBOCLSA-N 1 2 235.331 1.824 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000306633819 643203618 /nfs/dbraw/zinc/20/36/18/643203618.db2.gz SPRSILBXCKCNQL-SNVBAGLBSA-N 1 2 207.277 1.211 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000306633819 643203626 /nfs/dbraw/zinc/20/36/26/643203626.db2.gz SPRSILBXCKCNQL-SNVBAGLBSA-N 1 2 207.277 1.211 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000131125231 643265568 /nfs/dbraw/zinc/26/55/68/643265568.db2.gz GTDIERXKMGJHJH-BLWPOKMGSA-N 1 2 239.315 1.359 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000131125231 643265575 /nfs/dbraw/zinc/26/55/75/643265575.db2.gz GTDIERXKMGJHJH-BLWPOKMGSA-N 1 2 239.315 1.359 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](F)CC ZINC001032238345 643385262 /nfs/dbraw/zinc/38/52/62/643385262.db2.gz MNBVTWNVDKNILO-DCAQKATOSA-N 1 2 228.311 1.430 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](F)CC ZINC001032238345 643385267 /nfs/dbraw/zinc/38/52/67/643385267.db2.gz MNBVTWNVDKNILO-DCAQKATOSA-N 1 2 228.311 1.430 20 0 BDADLO Cc1nonc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000733897340 643478499 /nfs/dbraw/zinc/47/84/99/643478499.db2.gz AYMKBOWGKBRPDR-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nonc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000733897340 643478502 /nfs/dbraw/zinc/47/85/02/643478502.db2.gz AYMKBOWGKBRPDR-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCC[C@@H](C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000813333909 643484588 /nfs/dbraw/zinc/48/45/88/643484588.db2.gz YYKGSXAMXYKCJC-SNVBAGLBSA-N 1 2 238.335 1.022 20 0 BDADLO CCC[C@@H](C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000813333909 643484590 /nfs/dbraw/zinc/48/45/90/643484590.db2.gz YYKGSXAMXYKCJC-SNVBAGLBSA-N 1 2 238.335 1.022 20 0 BDADLO C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970931044 643622751 /nfs/dbraw/zinc/62/27/51/643622751.db2.gz FWPLHVOEUUJRCV-LBPRGKRZSA-N 1 2 249.314 1.117 20 0 BDADLO C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970931044 643622754 /nfs/dbraw/zinc/62/27/54/643622754.db2.gz FWPLHVOEUUJRCV-LBPRGKRZSA-N 1 2 249.314 1.117 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000160584394 643692420 /nfs/dbraw/zinc/69/24/20/643692420.db2.gz YNFHFBDPHCWMMT-ZJUUUORDSA-N 1 2 231.361 1.765 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000160584394 643692426 /nfs/dbraw/zinc/69/24/26/643692426.db2.gz YNFHFBDPHCWMMT-ZJUUUORDSA-N 1 2 231.361 1.765 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCC(=O)NC(C)C ZINC000049874513 643703411 /nfs/dbraw/zinc/70/34/11/643703411.db2.gz YSTPQJXNKQIPGW-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000320632407 643765205 /nfs/dbraw/zinc/76/52/05/643765205.db2.gz RYKODFJNOXHPSQ-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000320632407 643765208 /nfs/dbraw/zinc/76/52/08/643765208.db2.gz RYKODFJNOXHPSQ-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cccc(Cl)n1 ZINC000085696819 643769931 /nfs/dbraw/zinc/76/99/31/643769931.db2.gz RWLGNBNKRLULDK-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cccc(Cl)n1 ZINC000085696819 643769934 /nfs/dbraw/zinc/76/99/34/643769934.db2.gz RWLGNBNKRLULDK-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC2(CCC2)O1 ZINC000922228774 643910814 /nfs/dbraw/zinc/91/08/14/643910814.db2.gz NHCSBDZIOZRCTE-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1ncccc1CO ZINC000922290062 643956682 /nfs/dbraw/zinc/95/66/82/643956682.db2.gz OWCFLLLJKNBITK-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO Nc1ccc(COC(=O)C2(O)CCCC2)c[nH+]1 ZINC000922339756 643976992 /nfs/dbraw/zinc/97/69/92/643976992.db2.gz SYEVBAHQUFDLBT-UHFFFAOYSA-N 1 2 236.271 1.012 20 0 BDADLO CC(C)OCC(=O)OCc1ccc[nH+]c1N ZINC000922386929 643984731 /nfs/dbraw/zinc/98/47/31/643984731.db2.gz RJGXFBNZHMSSGM-UHFFFAOYSA-N 1 2 224.260 1.132 20 0 BDADLO CC(C)[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922451791 643996404 /nfs/dbraw/zinc/99/64/04/643996404.db2.gz RXRCHXNBCKLTNL-VIFPVBQESA-N 1 2 222.288 1.999 20 0 BDADLO CCC[C@H](O)CC(=O)OCc1ccc[nH+]c1N ZINC000922461632 643998230 /nfs/dbraw/zinc/99/82/30/643998230.db2.gz DTQGDZVRMKMRJF-JTQLQIEISA-N 1 2 238.287 1.258 20 0 BDADLO Nc1[nH+]cccc1COC(=O)CCC1CC1 ZINC000922459708 643998490 /nfs/dbraw/zinc/99/84/90/643998490.db2.gz FIANQBVFZIDCKT-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CC12CCC2 ZINC000922528443 644017393 /nfs/dbraw/zinc/01/73/93/644017393.db2.gz ZMPHBCZBHQUINW-JTQLQIEISA-N 1 2 232.283 1.897 20 0 BDADLO CS[C@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922561481 644021112 /nfs/dbraw/zinc/02/11/12/644021112.db2.gz BDXBQJSBRHFNMT-MRVPVSSYSA-N 1 2 240.328 1.849 20 0 BDADLO Cn1ncnc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922584890 644033720 /nfs/dbraw/zinc/03/37/20/644033720.db2.gz ODQUCGHVFZDGFI-ZDUSSCGKSA-N 1 2 243.314 1.451 20 0 BDADLO COCC1(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922592034 644039009 /nfs/dbraw/zinc/03/90/09/644039009.db2.gz LLJKUIUYNGFSTQ-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO CO[C@@H](C(=O)OCc1ccc(N)[nH+]c1)C(C)C ZINC000922617757 644043401 /nfs/dbraw/zinc/04/34/01/644043401.db2.gz VPQWLTRRZOJRQY-LLVKDONJSA-N 1 2 238.287 1.378 20 0 BDADLO CC(=O)CCCC(=O)OCc1ccc[nH+]c1N ZINC000922617948 644044244 /nfs/dbraw/zinc/04/42/44/644044244.db2.gz DNDBDTNCWRVLAZ-UHFFFAOYSA-N 1 2 236.271 1.466 20 0 BDADLO CC(F)(F)CC(=O)OCc1ccc[nH+]c1N ZINC000922650289 644057214 /nfs/dbraw/zinc/05/72/14/644057214.db2.gz YQEIGZKJOGFUED-UHFFFAOYSA-N 1 2 230.214 1.752 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)[nH]n1 ZINC000922814215 644099493 /nfs/dbraw/zinc/09/94/93/644099493.db2.gz UDZNGCMOAKIMBU-GFCCVEGCSA-N 1 2 235.331 1.991 20 0 BDADLO Cc1ncc(CC(=O)OCc2ccc(N)[nH+]c2)o1 ZINC000922944926 644198222 /nfs/dbraw/zinc/19/82/22/644198222.db2.gz WUTASEUIRGHZPL-UHFFFAOYSA-N 1 2 247.254 1.246 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079785056 644209501 /nfs/dbraw/zinc/20/95/01/644209501.db2.gz PJFQVNVQNDNNOO-SECBINFHSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000079785056 644209508 /nfs/dbraw/zinc/20/95/08/644209508.db2.gz PJFQVNVQNDNNOO-SECBINFHSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923027199 644238200 /nfs/dbraw/zinc/23/82/00/644238200.db2.gz HLYIIXZIHBXULE-GFCCVEGCSA-N 1 2 235.331 1.909 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CCC=CO1 ZINC000193791891 644282381 /nfs/dbraw/zinc/28/23/81/644282381.db2.gz SUABQRXJPZAPOT-NSHDSACASA-N 1 2 227.304 1.564 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CCC=CO1 ZINC000193791891 644282384 /nfs/dbraw/zinc/28/23/84/644282384.db2.gz SUABQRXJPZAPOT-NSHDSACASA-N 1 2 227.304 1.564 20 0 BDADLO COc1ncc(C(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000082270925 644358706 /nfs/dbraw/zinc/35/87/06/644358706.db2.gz DZJIFZZMJFMSRL-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO COC(=O)N1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000082254826 644362169 /nfs/dbraw/zinc/36/21/69/644362169.db2.gz KOAPDNAEMIWRCA-LLVKDONJSA-N 1 2 249.314 1.527 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@@H]2C)n1 ZINC000086761044 644471185 /nfs/dbraw/zinc/47/11/85/644471185.db2.gz GXNMHQWXESMCPT-HTQZYQBOSA-N 1 2 211.265 1.072 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087620166 644501107 /nfs/dbraw/zinc/50/11/07/644501107.db2.gz JGSLLAYMGDKULH-WPRPVWTQSA-N 1 2 217.334 1.423 20 0 BDADLO CNc1cc(N(C)Cc2cscn2)nc[nH+]1 ZINC000087824707 644504956 /nfs/dbraw/zinc/50/49/56/644504956.db2.gz RXCBXEPSCCPHPY-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CNc1cc(N(C)Cc2cscn2)[nH+]cn1 ZINC000087824707 644504959 /nfs/dbraw/zinc/50/49/59/644504959.db2.gz RXCBXEPSCCPHPY-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@@H](O)C1(C)C ZINC000163444642 644521221 /nfs/dbraw/zinc/52/12/21/644521221.db2.gz CJTVQEQGTWEOOK-VHSXEESVSA-N 1 2 222.288 1.662 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@H](C)C1 ZINC000946933215 644526895 /nfs/dbraw/zinc/52/68/95/644526895.db2.gz SNTWAACDEWDLHW-KOLCDFICSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@H](C)C1 ZINC000946933215 644526900 /nfs/dbraw/zinc/52/69/00/644526900.db2.gz SNTWAACDEWDLHW-KOLCDFICSA-N 1 2 237.303 1.164 20 0 BDADLO CO[C@H](C)CC(=O)NCCCCn1cc[nH+]c1 ZINC000749735480 644594201 /nfs/dbraw/zinc/59/42/01/644594201.db2.gz CZDAFVDCSLUIAW-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CC[C@H](CCO)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000094954271 644734995 /nfs/dbraw/zinc/73/49/95/644734995.db2.gz BZLCVAYVTPRHAZ-GHMZBOCLSA-N 1 2 245.363 1.715 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000250142683 644747233 /nfs/dbraw/zinc/74/72/33/644747233.db2.gz PLEIPMNYMALKOO-PVTPVBHGSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000250142683 644747243 /nfs/dbraw/zinc/74/72/43/644747243.db2.gz PLEIPMNYMALKOO-PVTPVBHGSA-N 1 2 227.304 1.215 20 0 BDADLO Cc1cccnc1C(=O)OCCCn1cc[nH+]c1 ZINC000784017126 644760032 /nfs/dbraw/zinc/76/00/32/644760032.db2.gz ITDGXHSUGOGIJE-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO C[C@H]1CC[C@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000793239823 644801957 /nfs/dbraw/zinc/80/19/57/644801957.db2.gz VFIMKHUJNCXULX-QWRGUYRKSA-N 1 2 236.315 1.942 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793237977 644802104 /nfs/dbraw/zinc/80/21/04/644802104.db2.gz LWSOADCGOSURPK-SNVBAGLBSA-N 1 2 224.304 1.798 20 0 BDADLO CC(F)(F)C(=O)NCCCCn1cc[nH+]c1 ZINC000808458095 644880295 /nfs/dbraw/zinc/88/02/95/644880295.db2.gz QFYUUGVIIIMJHP-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC12CCC2 ZINC000834552842 645145212 /nfs/dbraw/zinc/14/52/12/645145212.db2.gz WXCDVVUHGCSTEA-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(F)nc1 ZINC000837684241 645204276 /nfs/dbraw/zinc/20/42/76/645204276.db2.gz ZSKMYTMVKIOYBQ-UHFFFAOYSA-N 1 2 249.245 1.354 20 0 BDADLO FC1(F)C[C@@]12CCC[N@H+](Cc1cnn[nH]1)C2 ZINC000844442833 645331462 /nfs/dbraw/zinc/33/14/62/645331462.db2.gz GLCSGFAVJVZOCT-SECBINFHSA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@@]12CCC[N@@H+](Cc1cnn[nH]1)C2 ZINC000844442833 645331469 /nfs/dbraw/zinc/33/14/69/645331469.db2.gz GLCSGFAVJVZOCT-SECBINFHSA-N 1 2 228.246 1.426 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)c2cnn(C)n2)c1 ZINC000926657758 645340442 /nfs/dbraw/zinc/34/04/42/645340442.db2.gz APRRMRZOSJWQJX-VIFPVBQESA-N 1 2 247.302 1.530 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000926757584 645406059 /nfs/dbraw/zinc/40/60/59/645406059.db2.gz GYEIZYCQXVEQCB-NGZCFLSTSA-N 1 2 210.277 1.893 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)F)c1cc(CO)on1 ZINC000926778128 645424754 /nfs/dbraw/zinc/42/47/54/645424754.db2.gz BJNAXLSHMXSVGY-ZETCQYMHSA-N 1 2 216.256 1.566 20 0 BDADLO CC[C@@H]1COC[C@@H]1[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000926825784 645447284 /nfs/dbraw/zinc/44/72/84/645447284.db2.gz VSXVQQDERYEQBS-KXUCPTDWSA-N 1 2 235.274 1.377 20 0 BDADLO CC[C@@H]1COC[C@@H]1[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000926825784 645447290 /nfs/dbraw/zinc/44/72/90/645447290.db2.gz VSXVQQDERYEQBS-KXUCPTDWSA-N 1 2 235.274 1.377 20 0 BDADLO C[N@H+](CCOC(F)F)Cc1nccs1 ZINC000851795804 645469097 /nfs/dbraw/zinc/46/90/97/645469097.db2.gz LPKYSMLEMZQAQC-UHFFFAOYSA-N 1 2 222.260 1.814 20 0 BDADLO C[N@@H+](CCOC(F)F)Cc1nccs1 ZINC000851795804 645469101 /nfs/dbraw/zinc/46/91/01/645469101.db2.gz LPKYSMLEMZQAQC-UHFFFAOYSA-N 1 2 222.260 1.814 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927408385 645604179 /nfs/dbraw/zinc/60/41/79/645604179.db2.gz HZUOGZYRGCHNKQ-NEPJUHHUSA-N 1 2 247.342 1.895 20 0 BDADLO CC[C@H](C)OCC(=O)NCc1ccc(N)[nH+]c1 ZINC000927776559 645652682 /nfs/dbraw/zinc/65/26/82/645652682.db2.gz LMHAQXHNOYVZGH-VIFPVBQESA-N 1 2 237.303 1.095 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NCc2ccc(N)[nH+]c2)CCO1 ZINC000927776882 645656336 /nfs/dbraw/zinc/65/63/36/645656336.db2.gz OMVWTXIAANBSSH-MWLCHTKSSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000928044515 645688008 /nfs/dbraw/zinc/68/80/08/645688008.db2.gz UWOVUXJRUYKECS-FVCCEPFGSA-N 1 2 247.342 1.824 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1CCC1 ZINC000928636576 645853010 /nfs/dbraw/zinc/85/30/10/645853010.db2.gz RSKOHVGSLNVFHT-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC000928930416 645897551 /nfs/dbraw/zinc/89/75/51/645897551.db2.gz PADZXZQTARAXPO-WAYWQWQTSA-N 1 2 241.722 1.990 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC000928930416 645897553 /nfs/dbraw/zinc/89/75/53/645897553.db2.gz PADZXZQTARAXPO-WAYWQWQTSA-N 1 2 241.722 1.990 20 0 BDADLO FCc1ccccc1C[NH+]1CCOCC1 ZINC000929125302 645958223 /nfs/dbraw/zinc/95/82/23/645958223.db2.gz ORFNDJZCGDVUNB-UHFFFAOYSA-N 1 2 209.264 1.988 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC000929176539 645986917 /nfs/dbraw/zinc/98/69/17/645986917.db2.gz JWBRQCVPQXEVPS-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC000929176539 645986924 /nfs/dbraw/zinc/98/69/24/645986924.db2.gz JWBRQCVPQXEVPS-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2nonc2C)cn1 ZINC000924614948 646080227 /nfs/dbraw/zinc/08/02/27/646080227.db2.gz LOZGSBQTKJUTKJ-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccnn2C)nn1 ZINC000924643561 646083324 /nfs/dbraw/zinc/08/33/24/646083324.db2.gz KSZIGPSKYZVHFZ-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CCCOCC1 ZINC000929410102 646109490 /nfs/dbraw/zinc/10/94/90/646109490.db2.gz RUBXGBNQIOIKQA-SNVBAGLBSA-N 1 2 207.277 1.260 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CCCOCC1 ZINC000929410102 646109492 /nfs/dbraw/zinc/10/94/92/646109492.db2.gz RUBXGBNQIOIKQA-SNVBAGLBSA-N 1 2 207.277 1.260 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000924893829 646125380 /nfs/dbraw/zinc/12/53/80/646125380.db2.gz ZABXTXAFYDMEMN-SECBINFHSA-N 1 2 248.334 1.016 20 0 BDADLO C[C@@H](N[C@H]1CC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955219 646141789 /nfs/dbraw/zinc/14/17/89/646141789.db2.gz NTOHLPLVGJPAHF-NEPJUHHUSA-N 1 2 248.374 1.963 20 0 BDADLO C[C@@H](N[C@H]1CC[N@@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955219 646141790 /nfs/dbraw/zinc/14/17/90/646141790.db2.gz NTOHLPLVGJPAHF-NEPJUHHUSA-N 1 2 248.374 1.963 20 0 BDADLO Cc1ncsc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924972164 646148289 /nfs/dbraw/zinc/14/82/89/646148289.db2.gz WSPWFFLRQHHSRJ-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO CC(C)c1cc(C[NH2+][C@H](C)c2cnnn2C)on1 ZINC000925067278 646173816 /nfs/dbraw/zinc/17/38/16/646173816.db2.gz NBRXVDQCQWSJSQ-SECBINFHSA-N 1 2 249.318 1.777 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929643699 646215610 /nfs/dbraw/zinc/21/56/10/646215610.db2.gz IXSVWBACEUBYIE-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929643699 646215616 /nfs/dbraw/zinc/21/56/16/646215616.db2.gz IXSVWBACEUBYIE-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000929680131 646237475 /nfs/dbraw/zinc/23/74/75/646237475.db2.gz LAPAJKAVZFVMCE-KLLDFKRUSA-N 1 2 245.388 1.420 20 0 BDADLO COC/C(C)=C\C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000929680131 646237479 /nfs/dbraw/zinc/23/74/79/646237479.db2.gz LAPAJKAVZFVMCE-KLLDFKRUSA-N 1 2 245.388 1.420 20 0 BDADLO CC[C@H](CO)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000929760413 646293623 /nfs/dbraw/zinc/29/36/23/646293623.db2.gz BOICJNASJJISNB-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](CO)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000929760413 646293626 /nfs/dbraw/zinc/29/36/26/646293626.db2.gz BOICJNASJJISNB-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@](C)(O)C2)co1 ZINC000929786381 646313901 /nfs/dbraw/zinc/31/39/01/646313901.db2.gz DCORPZVDKINSCD-ZDUSSCGKSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@](C)(O)C2)co1 ZINC000929786381 646313907 /nfs/dbraw/zinc/31/39/07/646313907.db2.gz DCORPZVDKINSCD-ZDUSSCGKSA-N 1 2 238.331 1.929 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+](C)Cc1cnccn1 ZINC000929797785 646325631 /nfs/dbraw/zinc/32/56/31/646325631.db2.gz LBLBEPRAFIJZFU-POHAHGRESA-N 1 2 235.287 1.028 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+](C)Cc1cnccn1 ZINC000929797785 646325635 /nfs/dbraw/zinc/32/56/35/646325635.db2.gz LBLBEPRAFIJZFU-POHAHGRESA-N 1 2 235.287 1.028 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cnnn1C ZINC000925552196 646329186 /nfs/dbraw/zinc/32/91/86/646329186.db2.gz WASIZWCWAOOTNK-PSASIEDQSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cnnn1C ZINC000925552196 646329194 /nfs/dbraw/zinc/32/91/94/646329194.db2.gz WASIZWCWAOOTNK-PSASIEDQSA-N 1 2 246.318 1.266 20 0 BDADLO CC[N@H+](Cc1ccccn1)[C@H]1CCN(OC)C1=O ZINC000929824449 646340601 /nfs/dbraw/zinc/34/06/01/646340601.db2.gz KFSOVLNJIXHCNO-LBPRGKRZSA-N 1 2 249.314 1.066 20 0 BDADLO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(OC)C1=O ZINC000929824449 646340605 /nfs/dbraw/zinc/34/06/05/646340605.db2.gz KFSOVLNJIXHCNO-LBPRGKRZSA-N 1 2 249.314 1.066 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000929836039 646349699 /nfs/dbraw/zinc/34/96/99/646349699.db2.gz PCENSQJGUAELLL-VNKGSWCUSA-N 1 2 243.347 1.851 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000929836039 646349702 /nfs/dbraw/zinc/34/97/02/646349702.db2.gz PCENSQJGUAELLL-VNKGSWCUSA-N 1 2 243.347 1.851 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000925647918 646389066 /nfs/dbraw/zinc/38/90/66/646389066.db2.gz KJAMUGYKBGIVLE-SSDOTTSWSA-N 1 2 235.291 1.271 20 0 BDADLO COC/C(C)=C/C[NH2+]C1(C(=O)OC)CCCC1 ZINC000930101587 646435674 /nfs/dbraw/zinc/43/56/74/646435674.db2.gz JHEBVZKEWRSDSR-IZZDOVSWSA-N 1 2 241.331 1.655 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC000930160942 646464613 /nfs/dbraw/zinc/46/46/13/646464613.db2.gz CJAKHOYCRRORHN-CPCISQLKSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC000930160942 646464618 /nfs/dbraw/zinc/46/46/18/646464618.db2.gz CJAKHOYCRRORHN-CPCISQLKSA-N 1 2 228.242 1.172 20 0 BDADLO C[N@H+](CCc1ccncc1)Cc1nncs1 ZINC000930158920 646465677 /nfs/dbraw/zinc/46/56/77/646465677.db2.gz PVUGIBWHHUGZLY-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1ccncc1)Cc1nncs1 ZINC000930158920 646465683 /nfs/dbraw/zinc/46/56/83/646465683.db2.gz PVUGIBWHHUGZLY-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[C@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)C[C@@H]1O ZINC000930164113 646471158 /nfs/dbraw/zinc/47/11/58/646471158.db2.gz WMDCGMYQSHLBCI-ONGXEEELSA-N 1 2 238.331 1.785 20 0 BDADLO C[C@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)C[C@@H]1O ZINC000930164113 646471164 /nfs/dbraw/zinc/47/11/64/646471164.db2.gz WMDCGMYQSHLBCI-ONGXEEELSA-N 1 2 238.331 1.785 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000925821455 646489137 /nfs/dbraw/zinc/48/91/37/646489137.db2.gz NLXYUFFUFSMYEK-ZKANADHPSA-N 1 2 243.332 1.233 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000925821455 646489133 /nfs/dbraw/zinc/48/91/33/646489133.db2.gz NLXYUFFUFSMYEK-ZKANADHPSA-N 1 2 243.332 1.233 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000925813421 646490467 /nfs/dbraw/zinc/49/04/67/646490467.db2.gz VKOHFVCMNYSAAB-STPJVMRTSA-N 1 2 241.316 1.158 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000925813421 646490469 /nfs/dbraw/zinc/49/04/69/646490469.db2.gz VKOHFVCMNYSAAB-STPJVMRTSA-N 1 2 241.316 1.158 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000925819066 646494022 /nfs/dbraw/zinc/49/40/22/646494022.db2.gz FHPUAIAGDVAZCL-MEDUHNTESA-N 1 2 244.360 1.117 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000925819066 646494032 /nfs/dbraw/zinc/49/40/32/646494032.db2.gz FHPUAIAGDVAZCL-MEDUHNTESA-N 1 2 244.360 1.117 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)CCCn1cc[nH+]c1 ZINC000925837489 646504390 /nfs/dbraw/zinc/50/43/90/646504390.db2.gz FRANYYSMCNUJQE-MRXNPFEDSA-N 1 2 243.332 1.308 20 0 BDADLO CCn1nc(C)c([C@@H](C)[NH2+]CCF)n1 ZINC000926348479 646622493 /nfs/dbraw/zinc/62/24/93/646622493.db2.gz MBNDPFONQRRHLU-SSDOTTSWSA-N 1 2 200.261 1.227 20 0 BDADLO C[C@@H]1[C@@H]([NH2+]C2(C(F)F)CC2)CO[C@H]1C ZINC000926364924 646622675 /nfs/dbraw/zinc/62/26/75/646622675.db2.gz PVFWIEQAVFHFDW-FXQIFTODSA-N 1 2 205.248 1.797 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)OC(C)(C)C ZINC000724133563 711564713 /nfs/dbraw/zinc/56/47/13/711564713.db2.gz ZWSIWKPHAIJZRO-VHSXEESVSA-N 1 2 229.320 1.437 20 0 BDADLO CC[N@H+](CCO)Cc1nc(C(C)(C)C)co1 ZINC000724413700 711578937 /nfs/dbraw/zinc/57/89/37/711578937.db2.gz OEYMIEVCVYZZJZ-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(C(C)(C)C)co1 ZINC000724413700 711578939 /nfs/dbraw/zinc/57/89/39/711578939.db2.gz OEYMIEVCVYZZJZ-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO CCCCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724726323 711609682 /nfs/dbraw/zinc/60/96/82/711609682.db2.gz CFLFGUPUQOHOOK-SSDOTTSWSA-N 1 2 208.252 1.275 20 0 BDADLO Cc1ccc(CNC(=O)C[C@@H]([NH3+])C(F)F)s1 ZINC000724738923 711609790 /nfs/dbraw/zinc/60/97/90/711609790.db2.gz JMADCJDPJJRJLM-MRVPVSSYSA-N 1 2 248.298 1.655 20 0 BDADLO CC[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000724749926 711610819 /nfs/dbraw/zinc/61/08/19/711610819.db2.gz BNFHPUAVFPOPEZ-IUCAKERBSA-N 1 2 234.290 1.760 20 0 BDADLO [NH3+][C@@H](CC(=O)NCc1cccc(F)c1)C(F)F ZINC000724740929 711610022 /nfs/dbraw/zinc/61/00/22/711610022.db2.gz RUVIRYFVNDDZRT-VIFPVBQESA-N 1 2 246.232 1.424 20 0 BDADLO [NH3+][C@H](CC(=O)NCc1ccc(F)cc1)C(F)F ZINC000724741833 711610328 /nfs/dbraw/zinc/61/03/28/711610328.db2.gz ZMOQTNPCJAFBGX-SECBINFHSA-N 1 2 246.232 1.424 20 0 BDADLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001032430616 711918102 /nfs/dbraw/zinc/91/81/02/711918102.db2.gz RIMBPSZVXJIRGO-IUCAKERBSA-N 1 2 237.328 1.062 20 0 BDADLO CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001032430616 711918104 /nfs/dbraw/zinc/91/81/04/711918104.db2.gz RIMBPSZVXJIRGO-IUCAKERBSA-N 1 2 237.328 1.062 20 0 BDADLO CCCNc1cc(NCCOCCF)nc[nH+]1 ZINC000702627799 712057273 /nfs/dbraw/zinc/05/72/73/712057273.db2.gz YKZKMYCSBAMDRI-UHFFFAOYSA-N 1 2 242.298 1.697 20 0 BDADLO CCCNc1cc(NCCOCCF)[nH+]cn1 ZINC000702627799 712057276 /nfs/dbraw/zinc/05/72/76/712057276.db2.gz YKZKMYCSBAMDRI-UHFFFAOYSA-N 1 2 242.298 1.697 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+]Cc1nccs1 ZINC000710907700 712262356 /nfs/dbraw/zinc/26/23/56/712262356.db2.gz AAAKBMIFLLZRSV-QMMMGPOBSA-N 1 2 228.317 1.384 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccccc2F)C1 ZINC000379113288 712369718 /nfs/dbraw/zinc/36/97/18/712369718.db2.gz WBDFPDRKMBPRKX-UHFFFAOYSA-N 1 2 222.263 1.260 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714384057 712487350 /nfs/dbraw/zinc/48/73/50/712487350.db2.gz WWXLPYFSPHYOCH-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714384057 712487351 /nfs/dbraw/zinc/48/73/51/712487351.db2.gz WWXLPYFSPHYOCH-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CCCF ZINC000714930522 712500750 /nfs/dbraw/zinc/50/07/50/712500750.db2.gz FGWDJYKBUDXUIP-UHFFFAOYSA-N 1 2 205.273 1.621 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CCCF ZINC000714930522 712500751 /nfs/dbraw/zinc/50/07/51/712500751.db2.gz FGWDJYKBUDXUIP-UHFFFAOYSA-N 1 2 205.273 1.621 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2ccns2)on1 ZINC000715897712 712541020 /nfs/dbraw/zinc/54/10/20/712541020.db2.gz DQHIIHRNYNJCIW-SSDOTTSWSA-N 1 2 239.300 1.991 20 0 BDADLO CCCn1cc([C@@H](C)NC[C@H]2CC[N@@H+]2C)nn1 ZINC000715936668 712544296 /nfs/dbraw/zinc/54/42/96/712544296.db2.gz SBWQDPIKEGDIHF-GHMZBOCLSA-N 1 2 237.351 1.043 20 0 BDADLO CCCn1cc([C@@H](C)NC[C@H]2CC[N@H+]2C)nn1 ZINC000715936668 712544297 /nfs/dbraw/zinc/54/42/97/712544297.db2.gz SBWQDPIKEGDIHF-GHMZBOCLSA-N 1 2 237.351 1.043 20 0 BDADLO CNc1cc(N[C@@H]2CCS[C@@H]2C)nc[nH+]1 ZINC000380177008 712706304 /nfs/dbraw/zinc/70/63/04/712706304.db2.gz KHTNYGXCIGHZSX-HTQZYQBOSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@@H]2CCS[C@@H]2C)[nH+]cn1 ZINC000380177008 712706305 /nfs/dbraw/zinc/70/63/05/712706305.db2.gz KHTNYGXCIGHZSX-HTQZYQBOSA-N 1 2 224.333 1.824 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](CC)SC)n1 ZINC000380179088 712706348 /nfs/dbraw/zinc/70/63/48/712706348.db2.gz LAMLRCWVYPVOQT-SSDOTTSWSA-N 1 2 215.322 1.993 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OC ZINC000385012025 712707852 /nfs/dbraw/zinc/70/78/52/712707852.db2.gz WTZUHAQUKJXNOJ-HGCLJGPKSA-N 1 2 243.347 1.730 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H](C)CO2)n1 ZINC000718427318 712760525 /nfs/dbraw/zinc/76/05/25/712760525.db2.gz ODEATUPCMAJBIM-SFYZADRCSA-N 1 2 211.265 1.277 20 0 BDADLO COC(=O)C[NH+]1CCC(CSC)CC1 ZINC000719233650 712800806 /nfs/dbraw/zinc/80/08/06/712800806.db2.gz ZZFSVFNWNXIACF-UHFFFAOYSA-N 1 2 217.334 1.234 20 0 BDADLO Cc1conc1C[N@@H+]1CCSC[C@H]1CCO ZINC000720375655 712836682 /nfs/dbraw/zinc/83/66/82/712836682.db2.gz SCSNUURDBHBXAZ-SNVBAGLBSA-N 1 2 242.344 1.283 20 0 BDADLO Cc1conc1C[N@H+]1CCSC[C@H]1CCO ZINC000720375655 712836683 /nfs/dbraw/zinc/83/66/83/712836683.db2.gz SCSNUURDBHBXAZ-SNVBAGLBSA-N 1 2 242.344 1.283 20 0 BDADLO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C(=O)OC(C)(C)C ZINC000720980781 712885295 /nfs/dbraw/zinc/88/52/95/712885295.db2.gz ZKISBJNAXCMFOO-GUBZILKMSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)C(=O)OC(C)(C)C ZINC000720980782 712885302 /nfs/dbraw/zinc/88/53/02/712885302.db2.gz ZKISBJNAXCMFOO-OPRDCNLKSA-N 1 2 229.320 1.077 20 0 BDADLO CNc1cc(N2CCS[C@@H](C)CC2)nc[nH+]1 ZINC000380357057 712897298 /nfs/dbraw/zinc/89/72/98/712897298.db2.gz XGQZLPOPIBQEGT-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO CNc1cc(N2CCS[C@@H](C)CC2)[nH+]cn1 ZINC000380357057 712897299 /nfs/dbraw/zinc/89/72/99/712897299.db2.gz XGQZLPOPIBQEGT-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CC12CCC2)C1CC1 ZINC000721212128 712898720 /nfs/dbraw/zinc/89/87/20/712898720.db2.gz BBSNADGSBWDZKF-ZJUUUORDSA-N 1 2 209.289 1.470 20 0 BDADLO CCC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381613484 710660947 /nfs/dbraw/zinc/66/09/47/710660947.db2.gz VZFISXGXZYCKHT-UHFFFAOYSA-N 1 2 222.288 1.974 20 0 BDADLO CS[C@@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000381678619 710670242 /nfs/dbraw/zinc/67/02/42/710670242.db2.gz XRJUDAQUGVYWDY-QMMMGPOBSA-N 1 2 240.328 1.679 20 0 BDADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCF ZINC001039494607 710739922 /nfs/dbraw/zinc/73/99/22/710739922.db2.gz UTCVMQSHPKMOET-PHIMTYICSA-N 1 2 214.284 1.041 20 0 BDADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCF ZINC001039494607 710739926 /nfs/dbraw/zinc/73/99/26/710739926.db2.gz UTCVMQSHPKMOET-PHIMTYICSA-N 1 2 214.284 1.041 20 0 BDADLO C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)c1ccccc1 ZINC000724763670 710746845 /nfs/dbraw/zinc/74/68/45/710746845.db2.gz ZWDHMCNAMJAECZ-WPRPVWTQSA-N 1 2 242.269 1.846 20 0 BDADLO Cc1ncoc1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001042580764 710792478 /nfs/dbraw/zinc/79/24/78/710792478.db2.gz HNEGFIOHAPGEOD-UHFFFAOYSA-N 1 2 237.303 1.148 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2oc(C)cc2C)C1 ZINC001042590576 710792713 /nfs/dbraw/zinc/79/27/13/710792713.db2.gz KXOSPLXVJQUKFZ-UHFFFAOYSA-N 1 2 236.315 1.673 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccoc2Cl)C1 ZINC001042658467 710796987 /nfs/dbraw/zinc/79/69/87/710796987.db2.gz GAKAULDRENUPOC-UHFFFAOYSA-N 1 2 242.706 1.709 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000382157321 710801152 /nfs/dbraw/zinc/80/11/52/710801152.db2.gz RMUDORGOQIPKMI-NXEZZACHSA-N 1 2 212.272 1.185 20 0 BDADLO CCc1cncc(C(=O)N(C)C2C[NH+](CC)C2)c1 ZINC001043350414 710806055 /nfs/dbraw/zinc/80/60/55/710806055.db2.gz SZNLMAIDWARRLN-UHFFFAOYSA-N 1 2 247.342 1.420 20 0 BDADLO Cc1nocc1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001043730565 710812315 /nfs/dbraw/zinc/81/23/15/710812315.db2.gz DMPAUWZFJIJYEK-UHFFFAOYSA-N 1 2 237.303 1.148 20 0 BDADLO CCC(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057562129 710954950 /nfs/dbraw/zinc/95/49/50/710954950.db2.gz QFMSGLQHCLOLCJ-LLVKDONJSA-N 1 2 248.330 1.598 20 0 BDADLO COc1ccccc1C[NH2+]Cc1cn(C)cn1 ZINC000383940286 710986478 /nfs/dbraw/zinc/98/64/78/710986478.db2.gz VAYONSHUBNSLSV-UHFFFAOYSA-N 1 2 231.299 1.719 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)ccc1N ZINC000384343890 710992623 /nfs/dbraw/zinc/99/26/23/710992623.db2.gz CUYKXINGRXVBPM-UHFFFAOYSA-N 1 2 216.288 1.923 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@H]2C)nc[nH+]1 ZINC000380743512 712902893 /nfs/dbraw/zinc/90/28/93/712902893.db2.gz UZICJCKYMCRLKF-DTWKUNHWSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@H]2C)[nH+]cn1 ZINC000380743512 712902894 /nfs/dbraw/zinc/90/28/94/712902894.db2.gz UZICJCKYMCRLKF-DTWKUNHWSA-N 1 2 206.293 1.753 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCCCC1 ZINC000388516244 711062548 /nfs/dbraw/zinc/06/25/48/711062548.db2.gz WPTFMOVILCIXQG-UHFFFAOYSA-N 1 2 222.292 1.116 20 0 BDADLO CC(C)COC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000389978931 711102523 /nfs/dbraw/zinc/10/25/23/711102523.db2.gz HGPOSPOUTKATMQ-UHFFFAOYSA-N 1 2 211.305 1.718 20 0 BDADLO C[C@]1([NH2+]CCc2cccs2)CCOC1=O ZINC000389726163 711088208 /nfs/dbraw/zinc/08/82/08/711088208.db2.gz QVPYWVOXHHIGJL-NSHDSACASA-N 1 2 225.313 1.586 20 0 BDADLO Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C)C2)n(C)n1 ZINC000390420790 711116585 /nfs/dbraw/zinc/11/65/85/711116585.db2.gz JNVNKENNPBTMCJ-WDEREUQCSA-N 1 2 222.336 1.083 20 0 BDADLO Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)C2)n(C)n1 ZINC000390420790 711116586 /nfs/dbraw/zinc/11/65/86/711116586.db2.gz JNVNKENNPBTMCJ-WDEREUQCSA-N 1 2 222.336 1.083 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2scnc2C)[nH]1 ZINC000392426237 711146055 /nfs/dbraw/zinc/14/60/55/711146055.db2.gz VXARGFORPBCRAL-ZETCQYMHSA-N 1 2 237.332 1.729 20 0 BDADLO Cc1nnc(C[NH2+]C/C=C/Cl)s1 ZINC000391983719 711143071 /nfs/dbraw/zinc/14/30/71/711143071.db2.gz QCAIXBODUBABNQ-NSCUHMNNSA-N 1 2 203.698 1.689 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC2(F)F)[C@H]1OC ZINC000398056428 711401134 /nfs/dbraw/zinc/40/11/34/711401134.db2.gz ZRMHKUDXMUDPMN-ZRUFSTJUSA-N 1 2 249.301 1.956 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc2c(c1)CCO2 ZINC000398360129 711409702 /nfs/dbraw/zinc/40/97/02/711409702.db2.gz XFBXWYWAHORPGG-SECBINFHSA-N 1 2 244.298 1.590 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000399074409 711420609 /nfs/dbraw/zinc/42/06/09/711420609.db2.gz ITOWJPPJWQADJR-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000399074409 711420612 /nfs/dbraw/zinc/42/06/12/711420612.db2.gz ITOWJPPJWQADJR-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000393785024 710691968 /nfs/dbraw/zinc/69/19/68/710691968.db2.gz WWERNXPQAKJMBC-LBPRGKRZSA-N 1 2 231.336 1.326 20 0 BDADLO CC(C)(C)c1coc(C[NH2+]C2(CO)CC2)n1 ZINC000724365676 710740105 /nfs/dbraw/zinc/74/01/05/710740105.db2.gz VKKONWKPZDSHDH-UHFFFAOYSA-N 1 2 224.304 1.587 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C(C)(C)O ZINC000393988562 710836976 /nfs/dbraw/zinc/83/69/76/710836976.db2.gz MDHUBGJSPUSJFA-VHSXEESVSA-N 1 2 245.363 1.856 20 0 BDADLO CC(=O)N1CCC(N(C)c2cc[nH+]c(C)n2)CC1 ZINC001068629631 711020490 /nfs/dbraw/zinc/02/04/90/711020490.db2.gz DXDHUJRQPBFHEQ-UHFFFAOYSA-N 1 2 248.330 1.232 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000392415930 711146292 /nfs/dbraw/zinc/14/62/92/711146292.db2.gz JCXNBQAVEXCGFO-SECBINFHSA-N 1 2 241.298 1.836 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392393700 711146532 /nfs/dbraw/zinc/14/65/32/711146532.db2.gz XDUPAKYLUXHKJG-QMMMGPOBSA-N 1 2 248.334 1.260 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000392492110 711149094 /nfs/dbraw/zinc/14/90/94/711149094.db2.gz YHKPPTSRUGXUHR-SSDOTTSWSA-N 1 2 206.249 1.557 20 0 BDADLO CCNC(=S)NCc1c[nH+]c(C)cc1C ZINC000397119584 711377008 /nfs/dbraw/zinc/37/70/08/711377008.db2.gz ZQFFOCYAPPFZDG-UHFFFAOYSA-N 1 2 223.345 1.682 20 0 BDADLO CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000144386016 711473552 /nfs/dbraw/zinc/47/35/52/711473552.db2.gz GNMFCXHNGOANDJ-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO Cc1cnnc(NCCn2cc[nH+]c2)c1 ZINC000235976401 711487909 /nfs/dbraw/zinc/48/79/09/711487909.db2.gz DUGOUFVCWQUZNJ-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cnc(C)o1 ZINC000933235451 711506784 /nfs/dbraw/zinc/50/67/84/711506784.db2.gz XVFVKLSYDXSYKR-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cnc(C)o1 ZINC000933235451 711506786 /nfs/dbraw/zinc/50/67/86/711506786.db2.gz XVFVKLSYDXSYKR-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)OC(C)(C)C ZINC000724133563 711564710 /nfs/dbraw/zinc/56/47/10/711564710.db2.gz ZWSIWKPHAIJZRO-VHSXEESVSA-N 1 2 229.320 1.437 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccc(F)cc1)C(F)F ZINC000724692556 711609234 /nfs/dbraw/zinc/60/92/34/711609234.db2.gz KFKOFYMBRWNYJN-MRVPVSSYSA-N 1 2 232.205 1.747 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721547628 711622417 /nfs/dbraw/zinc/62/24/17/711622417.db2.gz AZWGMVNEQDRCTA-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001075466103 711628580 /nfs/dbraw/zinc/62/85/80/711628580.db2.gz BFWPEDKXFBSHJJ-WCQYABFASA-N 1 2 249.314 1.036 20 0 BDADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001075466103 711628581 /nfs/dbraw/zinc/62/85/81/711628581.db2.gz BFWPEDKXFBSHJJ-WCQYABFASA-N 1 2 249.314 1.036 20 0 BDADLO CNc1cc(N(C)C[C@@H]2CCCOC2)nc[nH+]1 ZINC000133622097 711640022 /nfs/dbraw/zinc/64/00/22/711640022.db2.gz CXQIUNLLRFGWAX-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N(C)C[C@@H]2CCCOC2)[nH+]cn1 ZINC000133622097 711640024 /nfs/dbraw/zinc/64/00/24/711640024.db2.gz CXQIUNLLRFGWAX-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO OCC[C@H](Nc1cc[nH+]cc1F)C1CCCC1 ZINC000725040248 711646000 /nfs/dbraw/zinc/64/60/00/711646000.db2.gz DWECMGLVBBJFLX-LBPRGKRZSA-N 1 2 238.306 1.996 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccon1 ZINC000309092266 711661901 /nfs/dbraw/zinc/66/19/01/711661901.db2.gz BNWQOLDIQPPLEH-ZETCQYMHSA-N 1 2 206.249 1.557 20 0 BDADLO Cn1c[nH+]c(CCNc2cncc(Cl)n2)c1 ZINC000313358610 711717977 /nfs/dbraw/zinc/71/79/77/711717977.db2.gz UROWCADXPJVPJS-UHFFFAOYSA-N 1 2 237.694 1.518 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001027255529 711720927 /nfs/dbraw/zinc/72/09/27/711720927.db2.gz IOPWZCZFDCWVTC-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027255529 711720928 /nfs/dbraw/zinc/72/09/28/711720928.db2.gz IOPWZCZFDCWVTC-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO OC[C@@H]1CCCCC[N@@H+]1Cc1cnsn1 ZINC000399666547 711757858 /nfs/dbraw/zinc/75/78/58/711757858.db2.gz JLFPUDPAVBVZDV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@@H]1CCCCC[N@H+]1Cc1cnsn1 ZINC000399666547 711757860 /nfs/dbraw/zinc/75/78/60/711757860.db2.gz JLFPUDPAVBVZDV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CCC(F)(F)C1 ZINC000894374691 711771197 /nfs/dbraw/zinc/77/11/97/711771197.db2.gz KVRGPLRGLRXJBW-UHFFFAOYSA-N 1 2 227.258 1.813 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000227936065 711833184 /nfs/dbraw/zinc/83/31/84/711833184.db2.gz TZIMEBAMINRFFG-MRVPVSSYSA-N 1 2 217.334 1.423 20 0 BDADLO OCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919128288 711878060 /nfs/dbraw/zinc/87/80/60/711878060.db2.gz VYVYPWJXLYEZQI-UHFFFAOYSA-N 1 2 216.284 1.856 20 0 BDADLO Cn1cc(C[NH2+]Cc2cnn(C3CCC3)c2)nn1 ZINC000921985793 711950979 /nfs/dbraw/zinc/95/09/79/711950979.db2.gz ARHQOHJUQJNLCS-UHFFFAOYSA-N 1 2 246.318 1.026 20 0 BDADLO CNc1cc(N[C@@H]2CC23CCC3)nc[nH+]1 ZINC000721283081 711959005 /nfs/dbraw/zinc/95/90/05/711959005.db2.gz CZPLPWSBBRKAQG-MRVPVSSYSA-N 1 2 204.277 1.873 20 0 BDADLO CNc1cc(N[C@@H]2CC23CCC3)[nH+]cn1 ZINC000721283081 711959007 /nfs/dbraw/zinc/95/90/07/711959007.db2.gz CZPLPWSBBRKAQG-MRVPVSSYSA-N 1 2 204.277 1.873 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1C[C@@]12CCOC2 ZINC000922612670 711974501 /nfs/dbraw/zinc/97/45/01/711974501.db2.gz BMWZNBRECOBKDD-ZWNOBZJWSA-N 1 2 248.282 1.134 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(O)c(F)c1 ZINC000700405298 711992011 /nfs/dbraw/zinc/99/20/11/711992011.db2.gz XRSMLLVDCZCQEH-UHFFFAOYSA-N 1 2 245.269 1.949 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(O)c(F)c1 ZINC000700405298 711992012 /nfs/dbraw/zinc/99/20/12/711992012.db2.gz XRSMLLVDCZCQEH-UHFFFAOYSA-N 1 2 245.269 1.949 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nn2)[C@@H]1C ZINC000706894598 712159556 /nfs/dbraw/zinc/15/95/56/712159556.db2.gz APLFKAGQTJTXEK-HTQZYQBOSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)[C@@H]1C ZINC000706894598 712159559 /nfs/dbraw/zinc/15/95/59/712159559.db2.gz APLFKAGQTJTXEK-HTQZYQBOSA-N 1 2 211.696 1.970 20 0 BDADLO CNc1cc(N2CC[C@]3(CCOC3)C2)nc[nH+]1 ZINC000707191540 712166239 /nfs/dbraw/zinc/16/62/39/712166239.db2.gz WFHVRQXYQIQAEJ-LBPRGKRZSA-N 1 2 234.303 1.135 20 0 BDADLO CNc1cc(N2CC[C@]3(CCOC3)C2)[nH+]cn1 ZINC000707191540 712166240 /nfs/dbraw/zinc/16/62/40/712166240.db2.gz WFHVRQXYQIQAEJ-LBPRGKRZSA-N 1 2 234.303 1.135 20 0 BDADLO Cc1noc(C)c1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710012212 712240511 /nfs/dbraw/zinc/24/05/11/712240511.db2.gz HGJMEAPGOLPZII-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687544 712254318 /nfs/dbraw/zinc/25/43/18/712254318.db2.gz CFLUUTBMXSDIOV-MRVPVSSYSA-N 1 2 226.301 1.105 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687544 712254319 /nfs/dbraw/zinc/25/43/19/712254319.db2.gz CFLUUTBMXSDIOV-MRVPVSSYSA-N 1 2 226.301 1.105 20 0 BDADLO CC[C@@H]1COC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000711111206 712281247 /nfs/dbraw/zinc/28/12/47/712281247.db2.gz SPZVBBNJLBOQLN-KOLCDFICSA-N 1 2 209.293 1.233 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922918370 712287048 /nfs/dbraw/zinc/28/70/48/712287048.db2.gz RNBQVVRRRCECLH-SASUGWTJSA-N 1 2 246.310 1.999 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C(C)(C)F ZINC001079352071 712348264 /nfs/dbraw/zinc/34/82/64/712348264.db2.gz HYUIAXCPPAOYIT-RKDXNWHRSA-N 1 2 234.290 1.141 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C(C)(C)F ZINC001079352071 712348265 /nfs/dbraw/zinc/34/82/65/712348265.db2.gz HYUIAXCPPAOYIT-RKDXNWHRSA-N 1 2 234.290 1.141 20 0 BDADLO CC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001065790783 712356553 /nfs/dbraw/zinc/35/65/53/712356553.db2.gz ZRZDZEAQVOAFQN-CABZTGNLSA-N 1 2 248.330 1.311 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccoc2)c1Cl ZINC000378740110 712359686 /nfs/dbraw/zinc/35/96/86/712359686.db2.gz INMJNTWYQOSTKU-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO C[N@H+](Cc1csc(Cl)n1)C(C)(C)CO ZINC000379548646 712387763 /nfs/dbraw/zinc/38/77/63/712387763.db2.gz ZBMRKPXOHXPLQX-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO C[N@@H+](Cc1csc(Cl)n1)C(C)(C)CO ZINC000379548646 712387764 /nfs/dbraw/zinc/38/77/64/712387764.db2.gz ZBMRKPXOHXPLQX-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)c2cccnc2)nn1 ZINC000714495976 712492115 /nfs/dbraw/zinc/49/21/15/712492115.db2.gz YYQLXXBGQKMTAQ-NSHDSACASA-N 1 2 245.330 1.934 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715414788 712517721 /nfs/dbraw/zinc/51/77/21/712517721.db2.gz NKNVAYSLFAJKQZ-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715414788 712517722 /nfs/dbraw/zinc/51/77/22/712517722.db2.gz NKNVAYSLFAJKQZ-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CC(=O)C1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000715490201 712522789 /nfs/dbraw/zinc/52/27/89/712522789.db2.gz ZVZCJSXQZPFMEX-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO CCCn1cc([C@H](C)[NH2+]Cc2c[nH]nc2C)nn1 ZINC000715837064 712534927 /nfs/dbraw/zinc/53/49/27/712534927.db2.gz PIKGMMZPPZWOKU-JTQLQIEISA-N 1 2 248.334 1.570 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C)nn2)ccn1 ZINC000715851170 712536307 /nfs/dbraw/zinc/53/63/07/712536307.db2.gz NAIMTXMJVGLRDZ-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO COC(=O)c1occc1C[NH2+]Cc1cc(C)n[nH]1 ZINC000716462410 712563059 /nfs/dbraw/zinc/56/30/59/712563059.db2.gz GULPBZXTVNXBBP-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)OCCF)C1 ZINC000859080476 712617479 /nfs/dbraw/zinc/61/74/79/712617479.db2.gz LGWPRJFIDHVBGD-SECBINFHSA-N 1 2 241.266 1.316 20 0 BDADLO CO[C@@H](C[NH2+]Cc1ncc[nH]1)C(F)(F)F ZINC000379915980 712626464 /nfs/dbraw/zinc/62/64/64/712626464.db2.gz CDZOWHNKTLBIPW-LURJTMIESA-N 1 2 223.198 1.077 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000379930398 712631699 /nfs/dbraw/zinc/63/16/99/712631699.db2.gz ODLOFIYPBHQOEU-VHSXEESVSA-N 1 2 231.361 1.671 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000379930400 712631702 /nfs/dbraw/zinc/63/17/02/712631702.db2.gz ODLOFIYPBHQOEU-ZJUUUORDSA-N 1 2 231.361 1.671 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccnc1F ZINC000380148469 712700018 /nfs/dbraw/zinc/70/00/18/712700018.db2.gz USNLYACMJMZNLK-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO Cc1nnc(CNc2[nH+]c(C)nc3[nH]ccc32)[nH]1 ZINC000080982659 712728774 /nfs/dbraw/zinc/72/87/74/712728774.db2.gz QTKNOOIDNDNDQX-UHFFFAOYSA-N 1 2 243.274 1.305 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnc(Cl)s2)n1 ZINC000718185285 712752364 /nfs/dbraw/zinc/75/23/64/712752364.db2.gz DZYQAQOUNWKEPS-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO Cc1cccc([C@@H](O)C[NH2+]Cc2ccn[nH]2)c1 ZINC000305158334 712840187 /nfs/dbraw/zinc/84/01/87/712840187.db2.gz QRBLUIUAWSQDAZ-ZDUSSCGKSA-N 1 2 231.299 1.541 20 0 BDADLO Cc1conc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000720419703 712841271 /nfs/dbraw/zinc/84/12/71/712841271.db2.gz KUMIAMRULKDZGC-ZDUSSCGKSA-N 1 2 232.283 1.806 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000720432117 712842325 /nfs/dbraw/zinc/84/23/25/712842325.db2.gz NUEXJKLWMGUGLH-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000720432117 712842326 /nfs/dbraw/zinc/84/23/26/712842326.db2.gz NUEXJKLWMGUGLH-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)CCO1 ZINC000720453711 712844082 /nfs/dbraw/zinc/84/40/82/712844082.db2.gz LYJZOYCVUCLMGN-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)CCO1 ZINC000720453711 712844084 /nfs/dbraw/zinc/84/40/84/712844084.db2.gz LYJZOYCVUCLMGN-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2cn(C)nn2)cn1 ZINC000720602809 712857303 /nfs/dbraw/zinc/85/73/03/712857303.db2.gz NVGNOBVZPXYSII-VHSXEESVSA-N 1 2 248.334 1.443 20 0 BDADLO Cc1nc(NCC2(C)CC(F)(F)C2)nc(N)[nH+]1 ZINC000720930508 712879615 /nfs/dbraw/zinc/87/96/15/712879615.db2.gz BZNBJERERMGNBN-UHFFFAOYSA-N 1 2 243.261 1.610 20 0 BDADLO Cc1nc(N)nc(NCC2(C)CC(F)(F)C2)[nH+]1 ZINC000720930508 712879616 /nfs/dbraw/zinc/87/96/16/712879616.db2.gz BZNBJERERMGNBN-UHFFFAOYSA-N 1 2 243.261 1.610 20 0 BDADLO Cc1ccc(CNC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000724762951 959304029 /nfs/dbraw/zinc/30/40/29/959304029.db2.gz VMGUXWPMEFLNEC-SNVBAGLBSA-N 1 2 242.269 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)n[nH]1 ZINC001203077209 960683435 /nfs/dbraw/zinc/68/34/35/960683435.db2.gz SHVWEACJOLCMEK-SNVBAGLBSA-N 1 2 227.258 1.949 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)n[nH]1 ZINC001203077209 960683445 /nfs/dbraw/zinc/68/34/45/960683445.db2.gz SHVWEACJOLCMEK-SNVBAGLBSA-N 1 2 227.258 1.949 20 0 BDADLO C[C@H]1C[N@H+](Cc2csnn2)C2(CC2)C1 ZINC001140999423 960798008 /nfs/dbraw/zinc/79/80/08/960798008.db2.gz ZEXLNDHYQQJCAG-MRVPVSSYSA-N 1 2 209.318 1.913 20 0 BDADLO C[C@H]1C[N@@H+](Cc2csnn2)C2(CC2)C1 ZINC001140999423 960798038 /nfs/dbraw/zinc/79/80/38/960798038.db2.gz ZEXLNDHYQQJCAG-MRVPVSSYSA-N 1 2 209.318 1.913 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncco2)C1 ZINC001141005722 960803701 /nfs/dbraw/zinc/80/37/01/960803701.db2.gz RVDIUAWTFVNNTB-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC001141005722 960803709 /nfs/dbraw/zinc/80/37/09/960803709.db2.gz RVDIUAWTFVNNTB-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CCCCc1ncc(C[N@H+](C)[C@H]2CCOC2)[nH]1 ZINC001141072757 960862383 /nfs/dbraw/zinc/86/23/83/960862383.db2.gz XUQPBMQLNKMLFP-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1ncc(C[N@@H+](C)[C@H]2CCOC2)[nH]1 ZINC001141072757 960862394 /nfs/dbraw/zinc/86/23/94/960862394.db2.gz XUQPBMQLNKMLFP-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CC(C)CCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001269196732 962518963 /nfs/dbraw/zinc/51/89/63/962518963.db2.gz XZMZXPKYSKKMSP-LLVKDONJSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)CCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001269196732 962518980 /nfs/dbraw/zinc/51/89/80/962518980.db2.gz XZMZXPKYSKKMSP-LLVKDONJSA-N 1 2 230.327 1.583 20 0 BDADLO CSCc1cc[nH+]c(NCc2ncon2)c1 ZINC001154895403 962886370 /nfs/dbraw/zinc/88/63/70/962886370.db2.gz CFLCKNLGIKWFHJ-UHFFFAOYSA-N 1 2 236.300 1.940 20 0 BDADLO COC(=O)c1sccc1C[NH+]1CC(C)C1 ZINC000697939752 964752182 /nfs/dbraw/zinc/75/21/82/964752182.db2.gz GYJOGYSVCRPCJW-UHFFFAOYSA-N 1 2 225.313 1.986 20 0 BDADLO C[C@@H](OCC[NH+]1CCN(C)CC1)c1ccco1 ZINC001224550782 964773739 /nfs/dbraw/zinc/77/37/39/964773739.db2.gz ZOYSSMUAEBKNDE-GFCCVEGCSA-N 1 2 238.331 1.605 20 0 BDADLO CC[C@H](CO)Nc1cc(N(CC)CC)nc[nH+]1 ZINC001163045435 965240865 /nfs/dbraw/zinc/24/08/65/965240865.db2.gz PJDXJMWENUQECP-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@H](CO)Nc1cc(N(CC)CC)[nH+]cn1 ZINC001163045435 965240873 /nfs/dbraw/zinc/24/08/73/965240873.db2.gz PJDXJMWENUQECP-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(F)c1 ZINC001164488885 965895101 /nfs/dbraw/zinc/89/51/01/965895101.db2.gz PGVIUUDHXQWSHX-UHFFFAOYSA-N 1 2 245.248 1.574 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC2(CCO2)C1 ZINC001166941088 966461692 /nfs/dbraw/zinc/46/16/92/966461692.db2.gz BTSPJMNFMGMEAW-UHFFFAOYSA-N 1 2 220.272 1.378 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)c(C)o2)CCO1 ZINC001204538523 967038086 /nfs/dbraw/zinc/03/80/86/967038086.db2.gz DXMNVLWEJCXGTG-ZDUSSCGKSA-N 1 2 239.315 1.744 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)c(C)o2)CCO1 ZINC001204538523 967038101 /nfs/dbraw/zinc/03/81/01/967038101.db2.gz DXMNVLWEJCXGTG-ZDUSSCGKSA-N 1 2 239.315 1.744 20 0 BDADLO COC(=O)[C@@H]1CCCCN1Cc1[nH]c[nH+]c1C ZINC001204587599 967075121 /nfs/dbraw/zinc/07/51/21/967075121.db2.gz HIOUCANUEKWYSE-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001206068250 968035532 /nfs/dbraw/zinc/03/55/32/968035532.db2.gz RHKTXJBFIOFZJS-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCC[C@H](F)C2)n1 ZINC001206264804 968183779 /nfs/dbraw/zinc/18/37/79/968183779.db2.gz SVIHHOUDJDBLTB-JTQLQIEISA-N 1 2 211.284 1.744 20 0 BDADLO Cn1ccc(C[N@H+]2CCCC[C@H](F)C2)n1 ZINC001206264804 968183785 /nfs/dbraw/zinc/18/37/85/968183785.db2.gz SVIHHOUDJDBLTB-JTQLQIEISA-N 1 2 211.284 1.744 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1Cc2cnc(C)cc2C1 ZINC001252029896 968448931 /nfs/dbraw/zinc/44/89/31/968448931.db2.gz XPMSEYZVSWJWPM-ZDUSSCGKSA-N 1 2 236.315 1.103 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1Cc2cnc(C)cc2C1 ZINC001252029896 968448938 /nfs/dbraw/zinc/44/89/38/968448938.db2.gz XPMSEYZVSWJWPM-ZDUSSCGKSA-N 1 2 236.315 1.103 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)no1 ZINC001206819333 968490163 /nfs/dbraw/zinc/49/01/63/968490163.db2.gz FHFHDDXYPKDCSY-LBPRGKRZSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)no1 ZINC001206819333 968490166 /nfs/dbraw/zinc/49/01/66/968490166.db2.gz FHFHDDXYPKDCSY-LBPRGKRZSA-N 1 2 222.288 1.738 20 0 BDADLO CCCC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC001252089547 968512135 /nfs/dbraw/zinc/51/21/35/968512135.db2.gz RDEZVANVBXSHIK-CYBMUJFWSA-N 1 2 220.316 1.948 20 0 BDADLO CCCC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC001252089547 968512140 /nfs/dbraw/zinc/51/21/40/968512140.db2.gz RDEZVANVBXSHIK-CYBMUJFWSA-N 1 2 220.316 1.948 20 0 BDADLO CCCC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC001252089548 968513418 /nfs/dbraw/zinc/51/34/18/968513418.db2.gz RDEZVANVBXSHIK-ZDUSSCGKSA-N 1 2 220.316 1.948 20 0 BDADLO CCCC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC001252089548 968513422 /nfs/dbraw/zinc/51/34/22/968513422.db2.gz RDEZVANVBXSHIK-ZDUSSCGKSA-N 1 2 220.316 1.948 20 0 BDADLO C[N@H+](Cc1nccs1)Cc1ccc[nH]c1=O ZINC001207008749 968547523 /nfs/dbraw/zinc/54/75/23/968547523.db2.gz LSALISACUNQUFY-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1nccs1)Cc1ccc[nH]c1=O ZINC001207008749 968547527 /nfs/dbraw/zinc/54/75/27/968547527.db2.gz LSALISACUNQUFY-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO CCCC[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252095458 968573661 /nfs/dbraw/zinc/57/36/61/968573661.db2.gz XVKCWZLUKRXFIN-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO CC[N@H+](Cc1cccc(=O)[nH]1)C1COC1 ZINC001207074170 968610455 /nfs/dbraw/zinc/61/04/55/968610455.db2.gz WYQXVDUOCFGPDT-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CC[N@@H+](Cc1cccc(=O)[nH]1)C1COC1 ZINC001207074170 968610479 /nfs/dbraw/zinc/61/04/79/968610479.db2.gz WYQXVDUOCFGPDT-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2CC(C)(C)O)no1 ZINC001252356392 968632251 /nfs/dbraw/zinc/63/22/51/968632251.db2.gz AUYRSSOKXRAIJC-SNVBAGLBSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2CC(C)(C)O)no1 ZINC001252356392 968632259 /nfs/dbraw/zinc/63/22/59/968632259.db2.gz AUYRSSOKXRAIJC-SNVBAGLBSA-N 1 2 239.319 1.676 20 0 BDADLO CC(C)S(=O)(=O)Nc1c[nH+]c2ccccn12 ZINC001252426539 968680249 /nfs/dbraw/zinc/68/02/49/968680249.db2.gz BFUWDKUUKBBQFL-UHFFFAOYSA-N 1 2 239.300 1.484 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCCCO1 ZINC001207954082 968950000 /nfs/dbraw/zinc/95/00/00/968950000.db2.gz KNCAEFLGVBXUKF-GARJFASQSA-N 1 2 219.275 1.937 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCCCO1 ZINC001207954082 968950010 /nfs/dbraw/zinc/95/00/10/968950010.db2.gz KNCAEFLGVBXUKF-GARJFASQSA-N 1 2 219.275 1.937 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252801849 968983938 /nfs/dbraw/zinc/98/39/38/968983938.db2.gz BVHVJGRALKLGPW-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252801850 968984272 /nfs/dbraw/zinc/98/42/72/968984272.db2.gz BVHVJGRALKLGPW-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO COC1C[NH+](CCc2cccc(F)c2)C1 ZINC001208195737 969123678 /nfs/dbraw/zinc/12/36/78/969123678.db2.gz DRIPYASQXRLITG-UHFFFAOYSA-N 1 2 209.264 1.699 20 0 BDADLO CCCCC[C@H](O)C[NH2+]CC(F)(F)CO ZINC001253556239 969229707 /nfs/dbraw/zinc/22/97/07/969229707.db2.gz UZZLJJUBUKTMSN-VIFPVBQESA-N 1 2 225.279 1.145 20 0 BDADLO CC(C)[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001253765452 969384531 /nfs/dbraw/zinc/38/45/31/969384531.db2.gz WYWHYXDIEVFAFN-VIFPVBQESA-N 1 2 235.274 1.113 20 0 BDADLO O=S1(=O)CC[C@H]([NH+]2CC3(C2)CCCC3)C1 ZINC001254329782 969562264 /nfs/dbraw/zinc/56/22/64/969562264.db2.gz HNZUTTWWKBNYJN-JTQLQIEISA-N 1 2 229.345 1.050 20 0 BDADLO CC(=O)N1CCC[C@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001169602331 969780044 /nfs/dbraw/zinc/78/00/44/969780044.db2.gz GGGWAOZYSBMEOC-SRVKXCTJSA-N 1 2 246.301 1.379 20 0 BDADLO CC(=O)N1CCC[C@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001169602331 969780053 /nfs/dbraw/zinc/78/00/53/969780053.db2.gz GGGWAOZYSBMEOC-SRVKXCTJSA-N 1 2 246.301 1.379 20 0 BDADLO FC1C[NH+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001169936889 969885246 /nfs/dbraw/zinc/88/52/46/969885246.db2.gz MIZSJKCJQOKZMD-SNVBAGLBSA-N 1 2 215.268 1.326 20 0 BDADLO O=C1C[N@H+]([C@H]2CCSC2)CCC[C@H]1F ZINC001255281983 970038092 /nfs/dbraw/zinc/03/80/92/970038092.db2.gz IUEOUEWWOPMVIF-DTWKUNHWSA-N 1 2 217.309 1.495 20 0 BDADLO O=C1C[N@@H+]([C@H]2CCSC2)CCC[C@H]1F ZINC001255281983 970038095 /nfs/dbraw/zinc/03/80/95/970038095.db2.gz IUEOUEWWOPMVIF-DTWKUNHWSA-N 1 2 217.309 1.495 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001255659581 970439384 /nfs/dbraw/zinc/43/93/84/970439384.db2.gz ZZQYBJBCEPQHRK-FXQIFTODSA-N 1 2 209.211 1.800 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001255659581 970439391 /nfs/dbraw/zinc/43/93/91/970439391.db2.gz ZZQYBJBCEPQHRK-FXQIFTODSA-N 1 2 209.211 1.800 20 0 BDADLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001170153102 970470889 /nfs/dbraw/zinc/47/08/89/970470889.db2.gz OECSZDOGHZKMDD-UTLUCORTSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001170153102 970470896 /nfs/dbraw/zinc/47/08/96/970470896.db2.gz OECSZDOGHZKMDD-UTLUCORTSA-N 1 2 219.275 1.877 20 0 BDADLO CC[C@H]1C[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205632 970571568 /nfs/dbraw/zinc/57/15/68/970571568.db2.gz ZXIQICGCJYRVBT-DCAQKATOSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@H]1C[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205632 970571584 /nfs/dbraw/zinc/57/15/84/970571584.db2.gz ZXIQICGCJYRVBT-DCAQKATOSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@@H]1C[C@@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206380 970579830 /nfs/dbraw/zinc/57/98/30/970579830.db2.gz GIKPLIPTSNNFSK-WDEREUQCSA-N 1 2 248.317 1.485 20 0 BDADLO CC[C@@H]1C[C@@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206380 970579834 /nfs/dbraw/zinc/57/98/34/970579834.db2.gz GIKPLIPTSNNFSK-WDEREUQCSA-N 1 2 248.317 1.485 20 0 BDADLO CC[C@@H]1C[C@@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001170206380 970579848 /nfs/dbraw/zinc/57/98/48/970579848.db2.gz GIKPLIPTSNNFSK-WDEREUQCSA-N 1 2 248.317 1.485 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccn2C)CCC1=O ZINC001203254359 975058357 /nfs/dbraw/zinc/05/83/57/975058357.db2.gz UVXGSEQQKBKVCZ-JTQLQIEISA-N 1 2 206.289 1.436 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccn2C)CCC1=O ZINC001203254359 975058367 /nfs/dbraw/zinc/05/83/67/975058367.db2.gz UVXGSEQQKBKVCZ-JTQLQIEISA-N 1 2 206.289 1.436 20 0 BDADLO CC[C@H]1CC[C@H]([NH2+][C@@H](C(=O)OC)[C@@H](C)O)C1 ZINC001173266870 975131802 /nfs/dbraw/zinc/13/18/02/975131802.db2.gz HXTZHNFKANJBNX-VPOLOUISSA-N 1 2 229.320 1.077 20 0 BDADLO CC[C@@H]1CC[C@H]([NH+]2CC(F)(CO)C2)C1 ZINC001173272953 975149755 /nfs/dbraw/zinc/14/97/55/975149755.db2.gz LLUNSFOKOLAEBK-ZJUUUORDSA-N 1 2 201.285 1.581 20 0 BDADLO CCSC[C@H](C)[NH2+]Cc1ncon1 ZINC001173288699 975254623 /nfs/dbraw/zinc/25/46/23/975254623.db2.gz YXAPFPLGVMETRJ-ZETCQYMHSA-N 1 2 201.295 1.301 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(Cl)ccc1F ZINC001232155164 977897782 /nfs/dbraw/zinc/89/77/82/977897782.db2.gz FZXBXQVFBBPELN-HTQZYQBOSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(Cl)ccc1F ZINC001232155164 977897785 /nfs/dbraw/zinc/89/77/85/977897785.db2.gz FZXBXQVFBBPELN-HTQZYQBOSA-N 1 2 244.697 1.829 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C(F)F ZINC001336803060 977975306 /nfs/dbraw/zinc/97/53/06/977975306.db2.gz AEZMSDKVEFPVOP-QMMMGPOBSA-N 1 2 229.230 1.208 20 0 BDADLO COC(=O)CC[N@H+](Cc1c[nH]c(C)n1)C1CC1 ZINC001232465661 978112722 /nfs/dbraw/zinc/11/27/22/978112722.db2.gz NOZSBIOJUXOVBY-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)CC[N@@H+](Cc1c[nH]c(C)n1)C1CC1 ZINC001232465661 978112737 /nfs/dbraw/zinc/11/27/37/978112737.db2.gz NOZSBIOJUXOVBY-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@H](C)O)[nH+]c1C ZINC001595989058 978159702 /nfs/dbraw/zinc/15/97/02/978159702.db2.gz KMBNKSHWGWAXOM-UWVGGRQHSA-N 1 2 237.303 1.071 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H](C)C(F)(F)F)c[nH+]1 ZINC001597249904 978299951 /nfs/dbraw/zinc/29/99/51/978299951.db2.gz DBJAEYWLTHQVIX-ZCFIWIBFSA-N 1 2 249.236 1.787 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H](C)C(F)(F)F)[nH+]1 ZINC001597249904 978299958 /nfs/dbraw/zinc/29/99/58/978299958.db2.gz DBJAEYWLTHQVIX-ZCFIWIBFSA-N 1 2 249.236 1.787 20 0 BDADLO c1cn(Cc2nc3c(s2)CCC3)c[nH+]1 ZINC001337673290 978438616 /nfs/dbraw/zinc/43/86/16/978438616.db2.gz HJXCDXIYYMEPJH-UHFFFAOYSA-N 1 2 205.286 1.877 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC001233314353 978547335 /nfs/dbraw/zinc/54/73/35/978547335.db2.gz SYYOWBNPGNBRJF-SCZZXKLOSA-N 1 2 245.706 1.108 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC001233314353 978547342 /nfs/dbraw/zinc/54/73/42/978547342.db2.gz SYYOWBNPGNBRJF-SCZZXKLOSA-N 1 2 245.706 1.108 20 0 BDADLO Nc1cccc(CN2CCOCC(F)(F)C2)[nH+]1 ZINC001233368735 978585078 /nfs/dbraw/zinc/58/50/78/978585078.db2.gz DCYFIANYYZRBLE-UHFFFAOYSA-N 1 2 243.257 1.131 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C(F)(F)F)CC1 ZINC001331204420 978629212 /nfs/dbraw/zinc/62/92/12/978629212.db2.gz ACUGCVYNGJFACS-UHFFFAOYSA-N 1 2 233.193 1.163 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C=C1CCC1 ZINC001233644001 978659786 /nfs/dbraw/zinc/65/97/86/978659786.db2.gz LBGFFRCOOOVOCU-GFCCVEGCSA-N 1 2 240.322 1.599 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)C=C1CCC1 ZINC001233644001 978659789 /nfs/dbraw/zinc/65/97/89/978659789.db2.gz LBGFFRCOOOVOCU-GFCCVEGCSA-N 1 2 240.322 1.599 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001338889080 978744565 /nfs/dbraw/zinc/74/45/65/978744565.db2.gz VPLWJTQOOHVKLD-MNOVXSKESA-N 1 2 223.320 1.949 20 0 BDADLO CCC[N@H+](CCOC)Cc1ncc(Cl)cn1 ZINC001235419076 979041975 /nfs/dbraw/zinc/04/19/75/979041975.db2.gz XBPQTHHOAAQXFB-UHFFFAOYSA-N 1 2 243.738 1.988 20 0 BDADLO CCC[N@@H+](CCOC)Cc1ncc(Cl)cn1 ZINC001235419076 979041980 /nfs/dbraw/zinc/04/19/80/979041980.db2.gz XBPQTHHOAAQXFB-UHFFFAOYSA-N 1 2 243.738 1.988 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCCC12COC2 ZINC001235544539 979085405 /nfs/dbraw/zinc/08/54/05/979085405.db2.gz SLWUTJXTQRVCBT-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1[nH+]cn(C)c1CN(C)Cc1nccs1 ZINC001235554263 979098437 /nfs/dbraw/zinc/09/84/37/979098437.db2.gz ZQDCQKQLIOVTDX-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO COCC[N@H+](C)Cc1ccnc(OC)c1Cl ZINC001235830864 979163102 /nfs/dbraw/zinc/16/31/02/979163102.db2.gz UMMLPRPBZCAXPZ-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO COCC[N@@H+](C)Cc1ccnc(OC)c1Cl ZINC001235830864 979163106 /nfs/dbraw/zinc/16/31/06/979163106.db2.gz UMMLPRPBZCAXPZ-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO COc1nccc(C[NH+]2CCC2)c1Cl ZINC001235830861 979163948 /nfs/dbraw/zinc/16/39/48/979163948.db2.gz ULQNVTGNSOUODD-UHFFFAOYSA-N 1 2 212.680 1.949 20 0 BDADLO CCCn1c[nH+]cc1CN(CCF)CCOC ZINC001182781637 979644603 /nfs/dbraw/zinc/64/46/03/979644603.db2.gz MIDXLDSCKJBCSE-UHFFFAOYSA-N 1 2 243.326 1.711 20 0 BDADLO CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001236866164 979772596 /nfs/dbraw/zinc/77/25/96/979772596.db2.gz VMTYVJRSHGZVBN-LBPRGKRZSA-N 1 2 236.315 1.554 20 0 BDADLO CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001236866164 979772606 /nfs/dbraw/zinc/77/26/06/979772606.db2.gz VMTYVJRSHGZVBN-LBPRGKRZSA-N 1 2 236.315 1.554 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)n[nH]1 ZINC001342708190 979873603 /nfs/dbraw/zinc/87/36/03/979873603.db2.gz DFXSCPLQKXBYPP-GHMZBOCLSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)n[nH]1 ZINC001342708190 979873610 /nfs/dbraw/zinc/87/36/10/979873610.db2.gz DFXSCPLQKXBYPP-GHMZBOCLSA-N 1 2 223.320 1.311 20 0 BDADLO CCN(C)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183930048 979911049 /nfs/dbraw/zinc/91/10/49/979911049.db2.gz YPOFNVMAMUYUKQ-UHFFFAOYSA-N 1 2 207.277 1.075 20 0 BDADLO Cc1coc(C[NH+]2CC3(C2)CCOCC3)n1 ZINC001237642599 979993133 /nfs/dbraw/zinc/99/31/33/979993133.db2.gz HVPWISFSNURXIT-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO CC[N@H+](Cc1ccc(F)c(C)n1)C1CN(C)C1 ZINC001237828305 980069120 /nfs/dbraw/zinc/06/91/20/980069120.db2.gz ROXMCTZHNCWJAO-UHFFFAOYSA-N 1 2 237.322 1.665 20 0 BDADLO CC[N@@H+](Cc1ccc(F)c(C)n1)C1CN(C)C1 ZINC001237828305 980069126 /nfs/dbraw/zinc/06/91/26/980069126.db2.gz ROXMCTZHNCWJAO-UHFFFAOYSA-N 1 2 237.322 1.665 20 0 BDADLO CCN(Cc1occc1OC)C1C[NH+](C)C1 ZINC001237871199 980104012 /nfs/dbraw/zinc/10/40/12/980104012.db2.gz VFMCXSLVXTYSNP-UHFFFAOYSA-N 1 2 224.304 1.424 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1c(N)ccnc1F ZINC001238158396 980167931 /nfs/dbraw/zinc/16/79/31/980167931.db2.gz WTLXHHAMIVUEGJ-QMMMGPOBSA-N 1 2 225.267 1.024 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1c(N)ccnc1F ZINC001238158396 980167937 /nfs/dbraw/zinc/16/79/37/980167937.db2.gz WTLXHHAMIVUEGJ-QMMMGPOBSA-N 1 2 225.267 1.024 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001185171963 980188007 /nfs/dbraw/zinc/18/80/07/980188007.db2.gz AGUWKIKATOLQKM-VIFPVBQESA-N 1 2 210.321 1.243 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238225057 980229848 /nfs/dbraw/zinc/22/98/48/980229848.db2.gz QNXWXDZLVHGVCK-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238225057 980229852 /nfs/dbraw/zinc/22/98/52/980229852.db2.gz QNXWXDZLVHGVCK-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO CCn1c[nH+]cc1COC(=O)COC(C)C ZINC001345588837 980637300 /nfs/dbraw/zinc/63/73/00/980637300.db2.gz HSSFIZHWJNSDOO-UHFFFAOYSA-N 1 2 226.276 1.371 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc(C(F)(F)F)[nH]2)C1 ZINC001188508083 980658540 /nfs/dbraw/zinc/65/85/40/980658540.db2.gz IDQPHJKQGUWYFV-UHFFFAOYSA-N 1 2 247.220 1.077 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCCF ZINC001345995949 980727289 /nfs/dbraw/zinc/72/72/89/980727289.db2.gz KZNYZYQCVFSDNX-UHFFFAOYSA-N 1 2 214.240 1.696 20 0 BDADLO COc1ncc(/C(C)=C/C=C/[NH3+])cc1N ZINC001239638886 980819083 /nfs/dbraw/zinc/81/90/83/980819083.db2.gz WKUSVQBUTSEZLN-MSLMYCKWSA-N 1 2 205.261 1.548 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001347126879 980980268 /nfs/dbraw/zinc/98/02/68/980980268.db2.gz UMRFKCLGJZHTEX-UWVGGRQHSA-N 1 2 221.304 1.220 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCCSC1 ZINC001347364164 981057808 /nfs/dbraw/zinc/05/78/08/981057808.db2.gz CLIOZUIWDXVYFK-UHFFFAOYSA-N 1 2 239.344 1.276 20 0 BDADLO OC1C[NH+](Cc2coc3ccccc23)C1 ZINC000336220746 981411781 /nfs/dbraw/zinc/41/17/81/981411781.db2.gz DTKLPIYSUQBDHE-UHFFFAOYSA-N 1 2 203.241 1.609 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@H]2F)c(C)c[nH+]1 ZINC001349480533 981563513 /nfs/dbraw/zinc/56/35/13/981563513.db2.gz BEZSMYCXOWWQHL-DTWKUNHWSA-N 1 2 208.236 1.417 20 0 BDADLO CS[C@@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791023 981744794 /nfs/dbraw/zinc/74/47/94/981744794.db2.gz DOZRDENDECDKIH-VIFPVBQESA-N 1 2 224.329 1.810 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCn2nccc2C1 ZINC001196411090 982449332 /nfs/dbraw/zinc/44/93/32/982449332.db2.gz YDJJGXWBYGGWGG-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCn2nccc2C1 ZINC001196411090 982449339 /nfs/dbraw/zinc/44/93/39/982449339.db2.gz YDJJGXWBYGGWGG-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2ncccn2)O1 ZINC001197303696 982551322 /nfs/dbraw/zinc/55/13/22/982551322.db2.gz FHRBVFUEBAQDBK-QWRGUYRKSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ncccn2)O1 ZINC001197303696 982551327 /nfs/dbraw/zinc/55/13/27/982551327.db2.gz FHRBVFUEBAQDBK-QWRGUYRKSA-N 1 2 221.304 1.476 20 0 BDADLO CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001201573323 983339214 /nfs/dbraw/zinc/33/92/14/983339214.db2.gz NPATZTKKBRNITP-JTQLQIEISA-N 1 2 246.326 1.897 20 0 BDADLO CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001201573323 983339219 /nfs/dbraw/zinc/33/92/19/983339219.db2.gz NPATZTKKBRNITP-JTQLQIEISA-N 1 2 246.326 1.897 20 0 BDADLO Cc1c[nH+]ccc1NC(=S)NC(C)C ZINC001200773558 983353832 /nfs/dbraw/zinc/35/38/32/983353832.db2.gz SGLPJCKTJIVGAA-UHFFFAOYSA-N 1 2 209.318 1.507 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2ccc(F)cc2)C1 ZINC001202359261 983638391 /nfs/dbraw/zinc/63/83/91/983638391.db2.gz DGLCMFCJHJVOMK-UHFFFAOYSA-N 1 2 223.251 1.261 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252799436 983895423 /nfs/dbraw/zinc/89/54/23/983895423.db2.gz RVGILHZVYJKMLY-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)OCC[C@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001172448462 974809784 /nfs/dbraw/zinc/80/97/84/974809784.db2.gz MDUFZGDOEDELRZ-NSHDSACASA-N 1 2 237.347 1.939 20 0 BDADLO CC(C)OCC[C@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001172448462 974809785 /nfs/dbraw/zinc/80/97/85/974809785.db2.gz MDUFZGDOEDELRZ-NSHDSACASA-N 1 2 237.347 1.939 20 0 BDADLO CC(C)COCC[C@H](C)[NH2+]CC(=O)OC(C)C ZINC001172455929 974819755 /nfs/dbraw/zinc/81/97/55/974819755.db2.gz WJUQKRZQIZLRGK-LBPRGKRZSA-N 1 2 245.363 1.979 20 0 BDADLO CC(C)[C@H]1CC[C@H](C(=O)NC2C[NH+](C)C2)CC1 ZINC001144655957 972917513 /nfs/dbraw/zinc/91/75/13/972917513.db2.gz DNUIVUSROGCHLZ-HAQNSBGRSA-N 1 2 238.375 1.879 20 0 BDADLO COC(=O)c1ncccc1-c1ccc[nH+]c1N ZINC001243473729 970765418 /nfs/dbraw/zinc/76/54/18/970765418.db2.gz FIEGWJRDHJAXHB-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO CC(C)CC[C@H](C)[NH+]1CC(S(C)(=O)=O)C1 ZINC001256370613 970778759 /nfs/dbraw/zinc/77/87/59/970778759.db2.gz KCTKPCKKRTXJKF-JTQLQIEISA-N 1 2 233.377 1.540 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](C2CCS(=O)(=O)CC2)C1 ZINC001256386747 970797609 /nfs/dbraw/zinc/79/76/09/970797609.db2.gz OKVBEVSCOZZODI-LLVKDONJSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@@]1(F)CCC[N@H+](C2CCS(=O)(=O)CC2)C1 ZINC001256386747 970797618 /nfs/dbraw/zinc/79/76/18/970797618.db2.gz OKVBEVSCOZZODI-LLVKDONJSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)C(C)(F)F ZINC001129538250 970855835 /nfs/dbraw/zinc/85/58/35/970855835.db2.gz LDTZZOHPJDYOQJ-MRVPVSSYSA-N 1 2 245.273 1.370 20 0 BDADLO Fc1nccnc1NCCCn1cc[nH+]c1 ZINC000402797948 970856344 /nfs/dbraw/zinc/85/63/44/970856344.db2.gz NVMNZVONDLJYRW-UHFFFAOYSA-N 1 2 221.239 1.314 20 0 BDADLO Cc1ccc(C(=O)NC2C[NH+](C)C2)c(C)c1 ZINC001148253968 973816584 /nfs/dbraw/zinc/81/65/84/973816584.db2.gz ZZVAEEOLNAMMBX-UHFFFAOYSA-N 1 2 218.300 1.347 20 0 BDADLO OCC[N@H+](CC=C(Cl)Cl)C1CC1 ZINC000403589103 970989104 /nfs/dbraw/zinc/98/91/04/970989104.db2.gz DNQJNUJXKCVSBS-UHFFFAOYSA-N 1 2 210.104 1.762 20 0 BDADLO OCC[N@@H+](CC=C(Cl)Cl)C1CC1 ZINC000403589103 970989107 /nfs/dbraw/zinc/98/91/07/970989107.db2.gz DNQJNUJXKCVSBS-UHFFFAOYSA-N 1 2 210.104 1.762 20 0 BDADLO COCC[N@@H+](CC=C(Cl)Cl)CCO ZINC000403687496 971016399 /nfs/dbraw/zinc/01/63/99/971016399.db2.gz XODVKQTZHKWLNI-UHFFFAOYSA-N 1 2 228.119 1.246 20 0 BDADLO COCC[N@H+](CC=C(Cl)Cl)CCO ZINC000403687496 971016409 /nfs/dbraw/zinc/01/64/09/971016409.db2.gz XODVKQTZHKWLNI-UHFFFAOYSA-N 1 2 228.119 1.246 20 0 BDADLO CNc1cc(Nc2nnc(C)o2)cc[nH+]1 ZINC001216331096 971040619 /nfs/dbraw/zinc/04/06/19/971040619.db2.gz KXBBWRBDRNFTCH-UHFFFAOYSA-N 1 2 205.221 1.558 20 0 BDADLO CCCOC(=O)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257085194 971096966 /nfs/dbraw/zinc/09/69/66/971096966.db2.gz JTUWXAXMRGOCSX-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1occc1C[NH2+][C@@H](C)c1nncn1C ZINC000321607022 973926918 /nfs/dbraw/zinc/92/69/18/973926918.db2.gz YRXVHCAXGFNBIE-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCC=C(Cl)C1 ZINC000404424758 971163012 /nfs/dbraw/zinc/16/30/12/971163012.db2.gz LOIAKRIOQXEKQC-JTQLQIEISA-N 1 2 247.722 1.129 20 0 BDADLO CCOC(=O)C[C@H](O)C[N@H+]1CCC=C(Cl)C1 ZINC000404424758 971163018 /nfs/dbraw/zinc/16/30/18/971163018.db2.gz LOIAKRIOQXEKQC-JTQLQIEISA-N 1 2 247.722 1.129 20 0 BDADLO CC[C@H]1CCCCC[N@@H+]1Cc1nc[nH]n1 ZINC001329878221 973995842 /nfs/dbraw/zinc/99/58/42/973995842.db2.gz OAWNDCZOMYGPCX-JTQLQIEISA-N 1 2 208.309 1.959 20 0 BDADLO CC[C@H]1CCCCC[N@H+]1Cc1nc[nH]n1 ZINC001329878221 973995863 /nfs/dbraw/zinc/99/58/63/973995863.db2.gz OAWNDCZOMYGPCX-JTQLQIEISA-N 1 2 208.309 1.959 20 0 BDADLO CCC[C@@H](C)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001257316944 971212179 /nfs/dbraw/zinc/21/21/79/971212179.db2.gz OSZFRXHRGGHKJE-MWLCHTKSSA-N 1 2 239.319 1.287 20 0 BDADLO CSCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCF)C1 ZINC001131808062 971275497 /nfs/dbraw/zinc/27/54/97/971275497.db2.gz HWZMIYKKUIZMHD-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO CSCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCF)C1 ZINC001131808062 971275508 /nfs/dbraw/zinc/27/55/08/971275508.db2.gz HWZMIYKKUIZMHD-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO CC(C)(C)Cc1nnc([C@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217694909 971328203 /nfs/dbraw/zinc/32/82/03/971328203.db2.gz FYTHGFVBBJBXHY-DTWKUNHWSA-N 1 2 239.319 1.444 20 0 BDADLO CC(C)c1ccc(-c2nnc([C@@H]([NH3+])CO)o2)cc1 ZINC001217697956 971336278 /nfs/dbraw/zinc/33/62/78/971336278.db2.gz CKBCBZCHKDFECR-NSHDSACASA-N 1 2 247.298 1.852 20 0 BDADLO COC(C)(C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001330041069 974082478 /nfs/dbraw/zinc/08/24/78/974082478.db2.gz DFJKAYBCJZLMNI-JTQLQIEISA-N 1 2 239.319 1.375 20 0 BDADLO O[C@H]1CC[N@H+](Cc2nnc(C3CCCC3)o2)C1 ZINC001257561198 971453606 /nfs/dbraw/zinc/45/36/06/971453606.db2.gz YCFKGJZGMRMXGG-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2nnc(C3CCCC3)o2)C1 ZINC001257561198 971453614 /nfs/dbraw/zinc/45/36/14/971453614.db2.gz YCFKGJZGMRMXGG-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO FC1(F)C[NH2+]CCN([C@H]2CCCSC2)C1 ZINC001257670695 971475285 /nfs/dbraw/zinc/47/52/85/971475285.db2.gz ITINSUKLGNMSCL-VIFPVBQESA-N 1 2 236.331 1.423 20 0 BDADLO Nc1ccccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218010389 971569366 /nfs/dbraw/zinc/56/93/66/971569366.db2.gz NXSDWYLZIIGMSH-SNVBAGLBSA-N 1 2 228.242 1.645 20 0 BDADLO O=c1ccoc2cc(O)cc(O[C@H]3CC[NH2+]C3)c12 ZINC001218183333 971621854 /nfs/dbraw/zinc/62/18/54/971621854.db2.gz QDQGHTNMOFAIHG-VIFPVBQESA-N 1 2 247.250 1.239 20 0 BDADLO O=C(Nc1cccc(O)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001135563312 971921954 /nfs/dbraw/zinc/92/19/54/971921954.db2.gz QYEPSIQQYWNNMR-GHMZBOCLSA-N 1 2 243.266 1.858 20 0 BDADLO O=C(Nc1cccc(O)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001135563312 971921956 /nfs/dbraw/zinc/92/19/56/971921956.db2.gz QYEPSIQQYWNNMR-GHMZBOCLSA-N 1 2 243.266 1.858 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CCOc2ccccc21 ZINC001135973166 972016797 /nfs/dbraw/zinc/01/67/97/972016797.db2.gz PLJMSXQIRFZHNZ-LBPRGKRZSA-N 1 2 246.310 1.506 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CCOc2ccccc21 ZINC001135973166 972016802 /nfs/dbraw/zinc/01/68/02/972016802.db2.gz PLJMSXQIRFZHNZ-LBPRGKRZSA-N 1 2 246.310 1.506 20 0 BDADLO C[C@@H]1CCCC[C@H]1CNC(=O)C1(F)C[NH2+]C1 ZINC001219673651 972075367 /nfs/dbraw/zinc/07/53/67/972075367.db2.gz LVCHTFKGRPGGQL-ZJUUUORDSA-N 1 2 228.311 1.240 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220240076 972194130 /nfs/dbraw/zinc/19/41/30/972194130.db2.gz DNAOOHCYYOGFCA-DTWKUNHWSA-N 1 2 216.300 1.239 20 0 BDADLO O=C1C[N@H+]([C@@H]2CCc3cccc(F)c3C2)CCN1 ZINC001170986392 972208126 /nfs/dbraw/zinc/20/81/26/972208126.db2.gz SPCHEUDLWIYUGL-LLVKDONJSA-N 1 2 248.301 1.115 20 0 BDADLO O=C1C[N@@H+]([C@@H]2CCc3cccc(F)c3C2)CCN1 ZINC001170986392 972208130 /nfs/dbraw/zinc/20/81/30/972208130.db2.gz SPCHEUDLWIYUGL-LLVKDONJSA-N 1 2 248.301 1.115 20 0 BDADLO CCC(=O)NC[C@@H](C)[N@H+](C)Cc1nocc1C ZINC001282346093 956869805 /nfs/dbraw/zinc/86/98/05/956869805.db2.gz HFRXTDDXOOKRKQ-SNVBAGLBSA-N 1 2 239.319 1.330 20 0 BDADLO CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1nocc1C ZINC001282346093 956869810 /nfs/dbraw/zinc/86/98/10/956869810.db2.gz HFRXTDDXOOKRKQ-SNVBAGLBSA-N 1 2 239.319 1.330 20 0 BDADLO OC[C@@H]1C[N@@H+](CCC2CC2)CC(F)(F)C1 ZINC001208679728 957118405 /nfs/dbraw/zinc/11/84/05/957118405.db2.gz SOAQGYXDMJZXKZ-JTQLQIEISA-N 1 2 219.275 1.736 20 0 BDADLO OC[C@@H]1C[N@H+](CCC2CC2)CC(F)(F)C1 ZINC001208679728 957118396 /nfs/dbraw/zinc/11/83/96/957118396.db2.gz SOAQGYXDMJZXKZ-JTQLQIEISA-N 1 2 219.275 1.736 20 0 BDADLO c1ncc(C[NH2+]Cc2cccc3c2OCC3)[nH]1 ZINC000692964659 957154952 /nfs/dbraw/zinc/15/49/52/957154952.db2.gz GFZKYVUYIQNIQW-UHFFFAOYSA-N 1 2 229.283 1.634 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](O)C[C@H]2C)nc1 ZINC000705393778 957198657 /nfs/dbraw/zinc/19/86/57/957198657.db2.gz LSZBEJBGMBUFSO-MNOVXSKESA-N 1 2 221.304 1.130 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](O)C[C@H]2C)nc1 ZINC000705393778 957198659 /nfs/dbraw/zinc/19/86/59/957198659.db2.gz LSZBEJBGMBUFSO-MNOVXSKESA-N 1 2 221.304 1.130 20 0 BDADLO COCC[NH+]1Cc2cc(OC)c(OC)cc2C1 ZINC001209214143 957356307 /nfs/dbraw/zinc/35/63/07/957356307.db2.gz AOUCQBJNVQJUFK-UHFFFAOYSA-N 1 2 237.299 1.666 20 0 BDADLO COCC[N@@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001209212001 957357893 /nfs/dbraw/zinc/35/78/93/957357893.db2.gz NSNINCARZJDPEV-ZDUSSCGKSA-N 1 2 246.310 1.146 20 0 BDADLO COCC[N@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001209212001 957357908 /nfs/dbraw/zinc/35/79/08/957357908.db2.gz NSNINCARZJDPEV-ZDUSSCGKSA-N 1 2 246.310 1.146 20 0 BDADLO COCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209213705 957359537 /nfs/dbraw/zinc/35/95/37/957359537.db2.gz GDHYHEWTSHLIJK-JTQLQIEISA-N 1 2 217.284 1.416 20 0 BDADLO COCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209213705 957359551 /nfs/dbraw/zinc/35/95/51/957359551.db2.gz GDHYHEWTSHLIJK-JTQLQIEISA-N 1 2 217.284 1.416 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209410556 957420131 /nfs/dbraw/zinc/42/01/31/957420131.db2.gz KNWZBKQQPIVDII-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209410556 957420142 /nfs/dbraw/zinc/42/01/42/957420142.db2.gz KNWZBKQQPIVDII-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO C[C@H]1C[C@H]1C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425913 957446966 /nfs/dbraw/zinc/44/69/66/957446966.db2.gz GUQFYAIYXRCADR-RYUDHWBXSA-N 1 2 245.326 1.386 20 0 BDADLO C[C@H]1C[C@H]1C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425913 957446971 /nfs/dbraw/zinc/44/69/71/957446971.db2.gz GUQFYAIYXRCADR-RYUDHWBXSA-N 1 2 245.326 1.386 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCOC2(CC2)C1 ZINC001209562693 957504615 /nfs/dbraw/zinc/50/46/15/957504615.db2.gz ZISPUDYELAUDJE-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCOC2(CC2)C1 ZINC001209562693 957504622 /nfs/dbraw/zinc/50/46/22/957504622.db2.gz ZISPUDYELAUDJE-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)NC2C[NH+](C)C2)CC1 ZINC000705858118 957516941 /nfs/dbraw/zinc/51/69/41/957516941.db2.gz JETUOWYAUPBFLA-MGCOHNPYSA-N 1 2 225.336 1.178 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@H]3OCC[C@H]3C2)c1 ZINC001167215337 957549910 /nfs/dbraw/zinc/54/99/10/957549910.db2.gz PBJOSJSFYODEMG-QWHCGFSZSA-N 1 2 248.326 1.843 20 0 BDADLO Cc1cc(N[C@H]2CCC(=O)N(C)C2)c[nH+]c1C ZINC001167246989 957580600 /nfs/dbraw/zinc/58/06/00/957580600.db2.gz SNLQDVSTUWKESH-NSHDSACASA-N 1 2 233.315 1.731 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cnc[nH]2)CCC1(F)F ZINC001136864995 972277322 /nfs/dbraw/zinc/27/73/22/972277322.db2.gz NMSMHVSFCDYVGI-VIFPVBQESA-N 1 2 233.237 1.979 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cnc[nH]2)CCC1(F)F ZINC001136864995 972277329 /nfs/dbraw/zinc/27/73/29/972277329.db2.gz NMSMHVSFCDYVGI-VIFPVBQESA-N 1 2 233.237 1.979 20 0 BDADLO F[C@H]1CC[N@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136864995 972277334 /nfs/dbraw/zinc/27/73/34/972277334.db2.gz NMSMHVSFCDYVGI-VIFPVBQESA-N 1 2 233.237 1.979 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136864995 972277341 /nfs/dbraw/zinc/27/73/41/972277341.db2.gz NMSMHVSFCDYVGI-VIFPVBQESA-N 1 2 233.237 1.979 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCc3ccc(O)cc32)n1 ZINC000690702059 957688462 /nfs/dbraw/zinc/68/84/62/957688462.db2.gz IFIXEFRBGKMKCJ-ZDUSSCGKSA-N 1 2 244.298 1.298 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(C)oc1C ZINC001210278690 957703389 /nfs/dbraw/zinc/70/33/89/957703389.db2.gz QOOKSMGNEHHOJU-UHFFFAOYSA-N 1 2 249.270 1.841 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC001136874724 972286716 /nfs/dbraw/zinc/28/67/16/972286716.db2.gz DAACLSQFZWTMKT-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001136874724 972286718 /nfs/dbraw/zinc/28/67/18/972286718.db2.gz DAACLSQFZWTMKT-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO O=c1[nH]ccc2c1CC[N@H+](Cc1cnc[nH]1)C2 ZINC001136871802 972289273 /nfs/dbraw/zinc/28/92/73/972289273.db2.gz JYUACBUAYKSXTA-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1[nH]ccc2c1CC[N@@H+](Cc1cnc[nH]1)C2 ZINC001136871802 972289278 /nfs/dbraw/zinc/28/92/78/972289278.db2.gz JYUACBUAYKSXTA-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Cn1c[nH+]c2ccc(NCc3cccnn3)cc21 ZINC001167324515 957755996 /nfs/dbraw/zinc/75/59/96/957755996.db2.gz OWUXJWBHNVJXKS-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@@]3(CCO3)C2)[nH]1 ZINC001136871585 972291097 /nfs/dbraw/zinc/29/10/97/972291097.db2.gz VIHQSQDDUKMPQU-LLVKDONJSA-N 1 2 207.277 1.165 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@@]3(CCO3)C2)[nH]1 ZINC001136871585 972291105 /nfs/dbraw/zinc/29/11/05/972291105.db2.gz VIHQSQDDUKMPQU-LLVKDONJSA-N 1 2 207.277 1.165 20 0 BDADLO CSc1cc(NC2CC(=O)C2)nc(C)[nH+]1 ZINC001167334009 957785746 /nfs/dbraw/zinc/78/57/46/957785746.db2.gz IZOWZAPRZZGVCG-UHFFFAOYSA-N 1 2 223.301 1.650 20 0 BDADLO CCC[C@@H](C)CN1CC[NH2+]CC(F)(F)C1 ZINC001210815412 957910003 /nfs/dbraw/zinc/91/00/03/957910003.db2.gz UCFPQPZGQWAKDN-SNVBAGLBSA-N 1 2 220.307 1.963 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)oc1C ZINC001204534628 957958074 /nfs/dbraw/zinc/95/80/74/957958074.db2.gz KHOJSMBLUAAMAS-QWRGUYRKSA-N 1 2 207.273 1.870 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)oc1C ZINC001204534628 957958083 /nfs/dbraw/zinc/95/80/83/957958083.db2.gz KHOJSMBLUAAMAS-QWRGUYRKSA-N 1 2 207.273 1.870 20 0 BDADLO Cc1cccc(O)c1C(=O)NCCn1cc[nH+]c1 ZINC000706621293 958080713 /nfs/dbraw/zinc/08/07/13/958080713.db2.gz BFOYWLDCZUTBGV-UHFFFAOYSA-N 1 2 245.282 1.327 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1nccs1 ZINC001204548457 958174570 /nfs/dbraw/zinc/17/45/70/958174570.db2.gz KJQXALOWEKWQEQ-UHFFFAOYSA-N 1 2 236.344 1.862 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1nccs1 ZINC001204548457 958174578 /nfs/dbraw/zinc/17/45/78/958174578.db2.gz KJQXALOWEKWQEQ-UHFFFAOYSA-N 1 2 236.344 1.862 20 0 BDADLO Cc1c[nH+]cc(Nc2ncccc2C(N)=O)c1C ZINC001213524820 958202136 /nfs/dbraw/zinc/20/21/36/958202136.db2.gz FUKJFUMQZSPJGT-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1noc(NCC[NH+]2Cc3ccccc3C2)n1 ZINC001347956551 958216718 /nfs/dbraw/zinc/21/67/18/958216718.db2.gz KYHADEJBELHJMO-UHFFFAOYSA-N 1 2 244.298 1.806 20 0 BDADLO CCOC(=O)CC[NH2+][C@@H](C)c1csnn1 ZINC000398408439 958248065 /nfs/dbraw/zinc/24/80/65/958248065.db2.gz KHHFGDMEABSVCT-ZETCQYMHSA-N 1 2 229.305 1.142 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)Cc1ccncn1 ZINC001140346620 958260176 /nfs/dbraw/zinc/26/01/76/958260176.db2.gz SOCRJHHWQGPEKH-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)Cc1ccncn1 ZINC001140346620 958260192 /nfs/dbraw/zinc/26/01/92/958260192.db2.gz SOCRJHHWQGPEKH-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO c1cnc([C@@H]2CCC[N@H+]2Cc2ccncn2)cn1 ZINC001140347804 958264565 /nfs/dbraw/zinc/26/45/65/958264565.db2.gz WCNGSBKBHFOLLO-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnc([C@@H]2CCC[N@@H+]2Cc2ccncn2)cn1 ZINC001140347804 958264580 /nfs/dbraw/zinc/26/45/80/958264580.db2.gz WCNGSBKBHFOLLO-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001207163011 958268941 /nfs/dbraw/zinc/26/89/41/958268941.db2.gz JEBZKYHRPKYTJP-DLOVCJGASA-N 1 2 221.279 1.575 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001207163011 958268952 /nfs/dbraw/zinc/26/89/52/958268952.db2.gz JEBZKYHRPKYTJP-DLOVCJGASA-N 1 2 221.279 1.575 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(OC)nc1)C2 ZINC001137037680 972336633 /nfs/dbraw/zinc/33/66/33/972336633.db2.gz QSJQFEYQAZQXLC-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(OC)nc1)C2 ZINC001137037680 972336637 /nfs/dbraw/zinc/33/66/37/972336637.db2.gz QSJQFEYQAZQXLC-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC(C)OCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001143367425 972344834 /nfs/dbraw/zinc/34/48/34/972344834.db2.gz POMITXYQPKNSCA-UHFFFAOYSA-N 1 2 234.299 1.356 20 0 BDADLO CCCOC(=O)[C@@H](C)OCCn1cc[nH+]c1 ZINC001222135507 972369217 /nfs/dbraw/zinc/36/92/17/972369217.db2.gz ZBWRBMHZMCXVGH-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)C[C@@H]1CCOC1 ZINC001167522160 958834183 /nfs/dbraw/zinc/83/41/83/958834183.db2.gz UBCLBSOGZCXBCE-IUCAKERBSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001167522160 958834184 /nfs/dbraw/zinc/83/41/84/958834184.db2.gz UBCLBSOGZCXBCE-IUCAKERBSA-N 1 2 227.333 1.567 20 0 BDADLO C=CC(=O)OC[C@H](C)OCCn1cc[nH+]c1 ZINC001222134215 972382815 /nfs/dbraw/zinc/38/28/15/972382815.db2.gz BUGJMSVPOACEHP-JTQLQIEISA-N 1 2 224.260 1.017 20 0 BDADLO CCOC(=O)[C@@H](CC)OCCn1cc[nH+]c1 ZINC001222139433 972385748 /nfs/dbraw/zinc/38/57/48/972385748.db2.gz RNKMYEDRGKITDG-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO CCOC(=O)[C@H](OCCn1cc[nH+]c1)C1CC1 ZINC001222138761 972386658 /nfs/dbraw/zinc/38/66/58/972386658.db2.gz JUHSPCIWLGVEFF-LLVKDONJSA-N 1 2 238.287 1.241 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(N)cn2)[C@H](C)CO1 ZINC000403916693 958929934 /nfs/dbraw/zinc/92/99/34/958929934.db2.gz HBXOGQXOMLMWEM-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(N)cn2)[C@H](C)CO1 ZINC000403916693 958929947 /nfs/dbraw/zinc/92/99/47/958929947.db2.gz HBXOGQXOMLMWEM-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222139704 972388209 /nfs/dbraw/zinc/38/82/09/972388209.db2.gz UUIGDURIULIFGP-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cc(Nc2ccc(N)[nH+]c2)nn1C ZINC000300866252 958978596 /nfs/dbraw/zinc/97/85/96/958978596.db2.gz JVDLKKMVTLUQAB-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO Cc1cccc(NC2=CCS(=O)(=O)CC2)[nH+]1 ZINC001216561462 959046826 /nfs/dbraw/zinc/04/68/26/959046826.db2.gz AEGBQRWOXPTROO-UHFFFAOYSA-N 1 2 238.312 1.504 20 0 BDADLO Cc1nnc(NCc2cc[nH+]c(N)c2)c(C)c1C ZINC001167617260 959080518 /nfs/dbraw/zinc/08/05/18/959080518.db2.gz NBUYAZUUZCVATE-UHFFFAOYSA-N 1 2 243.314 1.991 20 0 BDADLO Nc1cc(CNc2nncc3ccoc32)cc[nH+]1 ZINC001167617014 959082279 /nfs/dbraw/zinc/08/22/79/959082279.db2.gz IXMGOLFAIUOZED-UHFFFAOYSA-N 1 2 241.254 1.812 20 0 BDADLO COc1c(F)nccc1NCc1cc[nH+]c(N)c1 ZINC001167616902 959084898 /nfs/dbraw/zinc/08/48/98/959084898.db2.gz CCSTUNNRTKVKBD-UHFFFAOYSA-N 1 2 248.261 1.819 20 0 BDADLO Cc1cnc(C)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167617023 959086545 /nfs/dbraw/zinc/08/65/45/959086545.db2.gz FGRURMJASQKNRB-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Nc1cc(CNc2ccc3nncn3c2)cc[nH+]1 ZINC001167617764 959090279 /nfs/dbraw/zinc/09/02/79/959090279.db2.gz UFNHJIBYHJOLMA-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO CC[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000724709138 959231280 /nfs/dbraw/zinc/23/12/80/959231280.db2.gz VSEPZGMJWDYBMF-JGVFFNPUSA-N 1 2 220.263 1.370 20 0 BDADLO CC(=O)[C@H](C)CCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001327110954 972413214 /nfs/dbraw/zinc/41/32/14/972413214.db2.gz ZKLHLFMXWYDBCB-ZYHUDNBSSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)C1(CNC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000724746828 959356243 /nfs/dbraw/zinc/35/62/43/959356243.db2.gz TXYGIXZTRLXWIU-QMMMGPOBSA-N 1 2 234.290 1.521 20 0 BDADLO CC(=O)NCC[N@H+](Cc1cncs1)C1CC1 ZINC001267321858 959435071 /nfs/dbraw/zinc/43/50/71/959435071.db2.gz WFOQXXAVJNIMAZ-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)NCC[N@@H+](Cc1cncs1)C1CC1 ZINC001267321858 959435078 /nfs/dbraw/zinc/43/50/78/959435078.db2.gz WFOQXXAVJNIMAZ-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO C[C@H](CCO)Nc1cc2cc[nH]c2c[nH+]1 ZINC000308847250 959521251 /nfs/dbraw/zinc/52/12/51/959521251.db2.gz MRQZTBGGZUWKCE-MRVPVSSYSA-N 1 2 205.261 1.746 20 0 BDADLO CNc1cc(N[C@@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000301019078 959589541 /nfs/dbraw/zinc/58/95/41/959589541.db2.gz NCVIQLZQQNGMJF-RKDXNWHRSA-N 1 2 222.292 1.355 20 0 BDADLO CNc1cc(N[C@@H]2CCOC[C@H]2C)[nH+]cn1 ZINC000301019078 959589550 /nfs/dbraw/zinc/58/95/50/959589550.db2.gz NCVIQLZQQNGMJF-RKDXNWHRSA-N 1 2 222.292 1.355 20 0 BDADLO CCC(=O)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001143973134 972448797 /nfs/dbraw/zinc/44/87/97/972448797.db2.gz QDXMSQVMHFZIMA-UHFFFAOYSA-N 1 2 235.287 1.203 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000694290927 959818891 /nfs/dbraw/zinc/81/88/91/959818891.db2.gz KFPWSOAWQOFSGO-QJPTWQEYSA-N 1 2 245.326 1.716 20 0 BDADLO Cc1cc(NC=CC(C)(C)O)nc(C)[nH+]1 ZINC001203209000 960174411 /nfs/dbraw/zinc/17/44/11/960174411.db2.gz CICCJELZGQWSAZ-AATRIKPKSA-N 1 2 207.277 1.790 20 0 BDADLO CC(C)[C@H](F)C(=O)NC1C[NH+](CCCF)C1 ZINC001267656828 960181959 /nfs/dbraw/zinc/18/19/59/960181959.db2.gz XZSAWXWDUMKKCQ-JTQLQIEISA-N 1 2 234.290 1.141 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(O)cn2)CCO1 ZINC000709020447 960211655 /nfs/dbraw/zinc/21/16/55/960211655.db2.gz NBQXHYOUTZJAHX-ZDUSSCGKSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(O)cn2)CCO1 ZINC000709020447 960211663 /nfs/dbraw/zinc/21/16/63/960211663.db2.gz NBQXHYOUTZJAHX-ZDUSSCGKSA-N 1 2 236.315 1.644 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccc(CO)o2)cn1 ZINC001140682870 960493552 /nfs/dbraw/zinc/49/35/52/960493552.db2.gz MFMZUFRVYUHPTQ-UHFFFAOYSA-N 1 2 247.298 1.502 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccc(CO)o2)cn1 ZINC001140682870 960493556 /nfs/dbraw/zinc/49/35/56/960493556.db2.gz MFMZUFRVYUHPTQ-UHFFFAOYSA-N 1 2 247.298 1.502 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000695834489 960500156 /nfs/dbraw/zinc/50/01/56/960500156.db2.gz QNRUOJNGGPSRRF-BRPSZJMVSA-N 1 2 207.277 1.693 20 0 BDADLO CCN1C[C@@H](C)[N@H+](Cc2cc[nH]c2)CC1=O ZINC001140708282 960518497 /nfs/dbraw/zinc/51/84/97/960518497.db2.gz XGQQLCVWYJMEBK-SNVBAGLBSA-N 1 2 221.304 1.067 20 0 BDADLO CCN1C[C@@H](C)[N@@H+](Cc2cc[nH]c2)CC1=O ZINC001140708282 960518511 /nfs/dbraw/zinc/51/85/11/960518511.db2.gz XGQQLCVWYJMEBK-SNVBAGLBSA-N 1 2 221.304 1.067 20 0 BDADLO COc1cccc(Cl)c1C[NH+]1CC(CO)C1 ZINC001140728544 960535797 /nfs/dbraw/zinc/53/57/97/960535797.db2.gz DAOSTIUZAHVKQX-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@](O)(CF)C2)n[nH]1 ZINC001203069934 960613332 /nfs/dbraw/zinc/61/33/32/960613332.db2.gz FSTTZXWMROKQPZ-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@](O)(CF)C2)n[nH]1 ZINC001203069934 960613341 /nfs/dbraw/zinc/61/33/41/960613341.db2.gz FSTTZXWMROKQPZ-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](C)(CF)C2)n[nH]1 ZINC001203070419 960623864 /nfs/dbraw/zinc/62/38/64/960623864.db2.gz SJSHXHSJCAINJK-NSHDSACASA-N 1 2 211.284 1.900 20 0 BDADLO CNc1nc(SC)ncc1C[N@@H+]1CC[C@@H]1C ZINC001140836846 960626594 /nfs/dbraw/zinc/62/65/94/960626594.db2.gz VKJGIKBBZDJMBO-QMMMGPOBSA-N 1 2 238.360 1.834 20 0 BDADLO CNc1nc(SC)ncc1C[N@H+]1CC[C@@H]1C ZINC001140836846 960626606 /nfs/dbraw/zinc/62/66/06/960626606.db2.gz VKJGIKBBZDJMBO-QMMMGPOBSA-N 1 2 238.360 1.834 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC3(C2)CCCO3)c1C ZINC001140858392 960634046 /nfs/dbraw/zinc/63/40/46/960634046.db2.gz INHDXRSKEZFPRK-UHFFFAOYSA-N 1 2 220.316 1.996 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1C ZINC001140862700 960642252 /nfs/dbraw/zinc/64/22/52/960642252.db2.gz IUYBXJGXYXOIOH-NSHDSACASA-N 1 2 235.331 1.294 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1C ZINC001140862700 960642267 /nfs/dbraw/zinc/64/22/67/960642267.db2.gz IUYBXJGXYXOIOH-NSHDSACASA-N 1 2 235.331 1.294 20 0 BDADLO Cc1cc(C[N@@H+](CCCO)C(C)C)n[nH]1 ZINC001203077015 960688428 /nfs/dbraw/zinc/68/84/28/960688428.db2.gz OAWKLLOQXGAHBB-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO Cc1cc(C[N@H+](CCCO)C(C)C)n[nH]1 ZINC001203077015 960688436 /nfs/dbraw/zinc/68/84/36/960688436.db2.gz OAWKLLOQXGAHBB-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001143511888 960699117 /nfs/dbraw/zinc/69/91/17/960699117.db2.gz AGTSTWUSYPECCH-WDEREUQCSA-N 1 2 245.326 1.916 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](Cc2cnco2)C1)C1CC1 ZINC001140933098 960711250 /nfs/dbraw/zinc/71/12/50/960711250.db2.gz KWWBOAINIKURIQ-LLVKDONJSA-N 1 2 249.314 1.165 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](Cc2cnco2)C1)C1CC1 ZINC001140933098 960711263 /nfs/dbraw/zinc/71/12/63/960711263.db2.gz KWWBOAINIKURIQ-LLVKDONJSA-N 1 2 249.314 1.165 20 0 BDADLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncco1 ZINC001141004134 960800379 /nfs/dbraw/zinc/80/03/79/960800379.db2.gz TXXGTYGYHOIWDF-CYBMUJFWSA-N 1 2 249.314 1.261 20 0 BDADLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncco1 ZINC001141004134 960800380 /nfs/dbraw/zinc/80/03/80/960800380.db2.gz TXXGTYGYHOIWDF-CYBMUJFWSA-N 1 2 249.314 1.261 20 0 BDADLO COC(=O)CC[N@H+](Cc1ncco1)C1CC1 ZINC001141010326 960810922 /nfs/dbraw/zinc/81/09/22/960810922.db2.gz NAMKVALPDQKYFO-UHFFFAOYSA-N 1 2 224.260 1.202 20 0 BDADLO COC(=O)CC[N@@H+](Cc1ncco1)C1CC1 ZINC001141010326 960810924 /nfs/dbraw/zinc/81/09/24/960810924.db2.gz NAMKVALPDQKYFO-UHFFFAOYSA-N 1 2 224.260 1.202 20 0 BDADLO O=c1[nH]ccc2c1CC[N@H+](Cc1ncco1)C2 ZINC001141010485 960811740 /nfs/dbraw/zinc/81/17/40/960811740.db2.gz UWVHIUHMRLFTBF-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO O=c1[nH]ccc2c1CC[N@@H+](Cc1ncco1)C2 ZINC001141010485 960811750 /nfs/dbraw/zinc/81/17/50/960811750.db2.gz UWVHIUHMRLFTBF-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO F[C@H]1C[N@H+](Cc2cn[nH]c2)CCCC1(F)F ZINC001203086584 960817848 /nfs/dbraw/zinc/81/78/48/960817848.db2.gz UNFFCCATIRKVOR-VIFPVBQESA-N 1 2 233.237 1.979 20 0 BDADLO F[C@H]1C[N@@H+](Cc2cn[nH]c2)CCCC1(F)F ZINC001203086584 960817852 /nfs/dbraw/zinc/81/78/52/960817852.db2.gz UNFFCCATIRKVOR-VIFPVBQESA-N 1 2 233.237 1.979 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCCC(=O)CC1 ZINC001141033282 960825410 /nfs/dbraw/zinc/82/54/10/960825410.db2.gz IJSQUIOONVDWOS-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO c1cn2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2n1 ZINC001141047293 960832961 /nfs/dbraw/zinc/83/29/61/960832961.db2.gz GFUXROKVSDHLOF-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2n1 ZINC001141047293 960832962 /nfs/dbraw/zinc/83/29/62/960832962.db2.gz GFUXROKVSDHLOF-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO F[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@H]1F ZINC001141047918 960835532 /nfs/dbraw/zinc/83/55/32/960835532.db2.gz WPIMZZAVBHNNSN-GHMZBOCLSA-N 1 2 237.253 1.826 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC001141130096 960883205 /nfs/dbraw/zinc/88/32/05/960883205.db2.gz WSTPMNJYVBEOOC-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC001141130096 960883207 /nfs/dbraw/zinc/88/32/07/960883207.db2.gz WSTPMNJYVBEOOC-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001203097133 960885566 /nfs/dbraw/zinc/88/55/66/960885566.db2.gz XRKUTFDQDAMVKF-VIFPVBQESA-N 1 2 227.308 1.439 20 0 BDADLO C[C@@H](C(=O)N1CC[C@H](F)C1)n1cc[nH+]c1 ZINC001141144633 960888040 /nfs/dbraw/zinc/88/80/40/960888040.db2.gz CELPELHUPWHKKB-IUCAKERBSA-N 1 2 211.240 1.015 20 0 BDADLO CCc1ccccc1C[NH+]1CC(N(C)C)C1 ZINC001141224116 960963997 /nfs/dbraw/zinc/96/39/97/960963997.db2.gz DYGFSLVPGRTTML-UHFFFAOYSA-N 1 2 218.344 1.995 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1nccn1C1CC1 ZINC001142077986 961237750 /nfs/dbraw/zinc/23/77/50/961237750.db2.gz NJIWGPOVDOFDCQ-JTQLQIEISA-N 1 2 234.303 1.251 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1nccn1C1CC1 ZINC001142077986 961237760 /nfs/dbraw/zinc/23/77/60/961237760.db2.gz NJIWGPOVDOFDCQ-JTQLQIEISA-N 1 2 234.303 1.251 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cccc2nc[nH]c21 ZINC001142672831 961591130 /nfs/dbraw/zinc/59/11/30/961591130.db2.gz OLNFWSOKCVEJCT-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cccc2nc[nH]c21 ZINC001142672831 961591138 /nfs/dbraw/zinc/59/11/38/961591138.db2.gz OLNFWSOKCVEJCT-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC/C=C(\C)C(=O)NCCOc1cc[nH+]cc1 ZINC001142673894 961594650 /nfs/dbraw/zinc/59/46/50/961594650.db2.gz ULLNXYXRVZRLBP-NYYWCZLTSA-N 1 2 234.299 1.933 20 0 BDADLO c1nc2cccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)c2[nH]1 ZINC001142696941 961637760 /nfs/dbraw/zinc/63/77/60/961637760.db2.gz ZONOSEKVAXWISS-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO c1nc2cccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)c2[nH]1 ZINC001142696941 961637769 /nfs/dbraw/zinc/63/77/69/961637769.db2.gz ZONOSEKVAXWISS-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142879156 961811763 /nfs/dbraw/zinc/81/17/63/961811763.db2.gz KWOCCHSVDOJWPL-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142879156 961811773 /nfs/dbraw/zinc/81/17/73/961811773.db2.gz KWOCCHSVDOJWPL-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccnc2[nH]ccc21 ZINC001142887783 961814559 /nfs/dbraw/zinc/81/45/59/961814559.db2.gz LMXFJTPPPDPNJH-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccnc2[nH]ccc21 ZINC001142887783 961814561 /nfs/dbraw/zinc/81/45/61/961814561.db2.gz LMXFJTPPPDPNJH-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO c1cn2cccc(C[N@H+](C3CC3)C3COC3)c2n1 ZINC001142961710 961857543 /nfs/dbraw/zinc/85/75/43/961857543.db2.gz QDLPEPMMVLXGJL-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2cccc(C[N@@H+](C3CC3)C3COC3)c2n1 ZINC001142961710 961857545 /nfs/dbraw/zinc/85/75/45/961857545.db2.gz QDLPEPMMVLXGJL-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO CC(C)OC1C[NH+](Cc2cccn3ccnc23)C1 ZINC001142960440 961858315 /nfs/dbraw/zinc/85/83/15/961858315.db2.gz OCGBTVRFCIPJJW-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1N ZINC001143211660 961949443 /nfs/dbraw/zinc/94/94/43/961949443.db2.gz HZJYHPFGVNSACX-LBPRGKRZSA-N 1 2 233.315 1.526 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)nc1N ZINC001143211660 961949459 /nfs/dbraw/zinc/94/94/59/961949459.db2.gz HZJYHPFGVNSACX-LBPRGKRZSA-N 1 2 233.315 1.526 20 0 BDADLO Cn1cnc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204951761 962177974 /nfs/dbraw/zinc/17/79/74/962177974.db2.gz ZRCRXVPVEXJFJX-UHFFFAOYSA-N 1 2 213.244 1.811 20 0 BDADLO O[C@H]1COCCN(c2[nH+]ccc3ccccc32)C1 ZINC000399950203 962214189 /nfs/dbraw/zinc/21/41/89/962214189.db2.gz YABSWDNKZDNDJM-GFCCVEGCSA-N 1 2 244.294 1.432 20 0 BDADLO Cc1sccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001151426186 962290045 /nfs/dbraw/zinc/29/00/45/962290045.db2.gz VEMBSUMIRSCVEC-UHFFFAOYSA-N 1 2 221.285 1.961 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc3ccccc3cn2)C1 ZINC001151696674 962323800 /nfs/dbraw/zinc/32/38/00/962323800.db2.gz QBKQKMPWFHIGFG-UHFFFAOYSA-N 1 2 241.294 1.279 20 0 BDADLO O=C(NCC(F)(F)F)c1cc2c[nH+]ccc2[nH]1 ZINC001151963605 962355846 /nfs/dbraw/zinc/35/58/46/962355846.db2.gz BHBJBFRBKQKIPH-UHFFFAOYSA-N 1 2 243.188 1.855 20 0 BDADLO Cc1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)n1 ZINC001204377856 962385295 /nfs/dbraw/zinc/38/52/95/962385295.db2.gz DMDLUUQSMFJCHM-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO Cc1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)n1 ZINC001204377856 962385311 /nfs/dbraw/zinc/38/53/11/962385311.db2.gz DMDLUUQSMFJCHM-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO CC(=O)CCCCC(=O)N1CC2(CC[N@H+]2C)C1 ZINC001269011203 962419360 /nfs/dbraw/zinc/41/93/60/962419360.db2.gz UHUKLGKAIUPLFP-UHFFFAOYSA-N 1 2 238.331 1.052 20 0 BDADLO CC(=O)CCCCC(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001269011203 962419369 /nfs/dbraw/zinc/41/93/69/962419369.db2.gz UHUKLGKAIUPLFP-UHFFFAOYSA-N 1 2 238.331 1.052 20 0 BDADLO C[C@@]1(O)CCN(C(=O)c2c[nH]c3cc[nH+]cc23)C1 ZINC001152971968 962510676 /nfs/dbraw/zinc/51/06/76/962510676.db2.gz NRPOKQRRFUIMNL-CYBMUJFWSA-N 1 2 245.282 1.160 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2ncccc2O)C1 ZINC001225650592 962555679 /nfs/dbraw/zinc/55/56/79/962555679.db2.gz KPEAQFBILNLWID-UHFFFAOYSA-N 1 2 222.288 1.649 20 0 BDADLO O=C1SCC[C@@H]1Nc1ccn2cc[nH+]c2c1 ZINC001167951529 962670757 /nfs/dbraw/zinc/67/07/57/962670757.db2.gz XDZGIJAGEUKTSM-VIFPVBQESA-N 1 2 233.296 1.778 20 0 BDADLO Cc1ccc(O)c(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001269701574 962766112 /nfs/dbraw/zinc/76/61/12/962766112.db2.gz QLXTYQLWOFWLFQ-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1ccc(O)c(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001269701574 962766129 /nfs/dbraw/zinc/76/61/29/962766129.db2.gz QLXTYQLWOFWLFQ-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001154802129 962852833 /nfs/dbraw/zinc/85/28/33/962852833.db2.gz QFMDJMRNMPCRIE-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO COCc1cc[nH+]c(NCc2ncon2)c1 ZINC001154893494 962886868 /nfs/dbraw/zinc/88/68/68/962886868.db2.gz HLKSYDKSPDCVCS-UHFFFAOYSA-N 1 2 220.232 1.223 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001204383561 962905788 /nfs/dbraw/zinc/90/57/88/962905788.db2.gz IPUIEGFOBSSJEN-VIFPVBQESA-N 1 2 233.237 1.599 20 0 BDADLO CCC(CO)(CO)Nc1c(C)cc[nH+]c1C ZINC001167971435 963049448 /nfs/dbraw/zinc/04/94/48/963049448.db2.gz JALJRMKZKVBMKU-UHFFFAOYSA-N 1 2 224.304 1.244 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H](C)c1nncn1C ZINC000135442919 963119225 /nfs/dbraw/zinc/11/92/25/963119225.db2.gz MSGSFCKUNVOGQX-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206658402 963153898 /nfs/dbraw/zinc/15/38/98/963153898.db2.gz XJHDBIVCQWDYFH-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206658402 963153912 /nfs/dbraw/zinc/15/39/12/963153912.db2.gz XJHDBIVCQWDYFH-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO c1cn2ccc(Nc3cc4n(n3)CCO4)cc2[nH+]1 ZINC001204971998 963166987 /nfs/dbraw/zinc/16/69/87/963166987.db2.gz SQBXKOUADZXQCX-UHFFFAOYSA-N 1 2 241.254 1.667 20 0 BDADLO CCc1nccnc1NCc1cc[nH+]c(N)c1 ZINC001156756851 963455359 /nfs/dbraw/zinc/45/53/59/963455359.db2.gz IEQBJSDBZUSHIV-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO COC[C@@H](CNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000896506226 963468419 /nfs/dbraw/zinc/46/84/19/963468419.db2.gz SSQGVTFUTIOGSL-SECBINFHSA-N 1 2 239.323 1.093 20 0 BDADLO COC[C@@H](CNc1nc(N)nc(C)[nH+]1)C(C)C ZINC000896506226 963468425 /nfs/dbraw/zinc/46/84/25/963468425.db2.gz SSQGVTFUTIOGSL-SECBINFHSA-N 1 2 239.323 1.093 20 0 BDADLO CN(C)c1ccc(NC2=CCOC2)c[nH+]1 ZINC001203379291 963519903 /nfs/dbraw/zinc/51/99/03/963519903.db2.gz GUHKPWPATFMTKY-UHFFFAOYSA-N 1 2 205.261 1.474 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H](F)C(C)C)[nH+]c1C ZINC000896910898 963522344 /nfs/dbraw/zinc/52/23/44/963522344.db2.gz GOFLATNHWGFRQS-JTQLQIEISA-N 1 2 227.283 1.637 20 0 BDADLO Cc1[nH]c(CNC(=O)Cc2ccoc2)[nH+]c1C ZINC000896914312 963526733 /nfs/dbraw/zinc/52/67/33/963526733.db2.gz ZEXAKNBRXKCMQE-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO COc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001203425562 963592163 /nfs/dbraw/zinc/59/21/63/963592163.db2.gz MXJGUVGUBDPTLK-WDEREUQCSA-N 1 2 225.263 1.210 20 0 BDADLO COc1ccccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001203425562 963592166 /nfs/dbraw/zinc/59/21/66/963592166.db2.gz MXJGUVGUBDPTLK-WDEREUQCSA-N 1 2 225.263 1.210 20 0 BDADLO Cc1ncc(F)c(NC2C[NH+](C(C)C)C2)n1 ZINC001157525860 963642695 /nfs/dbraw/zinc/64/26/95/963642695.db2.gz IDFZBEOCGGCLAK-UHFFFAOYSA-N 1 2 224.283 1.429 20 0 BDADLO CCC1(Nc2[nH+]ccc(C)c2NC(C)=O)COC1 ZINC001157539818 963653329 /nfs/dbraw/zinc/65/33/29/963653329.db2.gz FUVJSGUKIDEXPP-UHFFFAOYSA-N 1 2 249.314 1.939 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204801932 963692635 /nfs/dbraw/zinc/69/26/35/963692635.db2.gz XHHLPEBPKYCGIP-AWEZNQCLSA-N 1 2 248.326 1.616 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204801932 963692646 /nfs/dbraw/zinc/69/26/46/963692646.db2.gz XHHLPEBPKYCGIP-AWEZNQCLSA-N 1 2 248.326 1.616 20 0 BDADLO CSc1nc(N[C@H]2COC(=O)C2)cc(C)[nH+]1 ZINC001158242642 963837765 /nfs/dbraw/zinc/83/77/65/963837765.db2.gz KOTTWBUKORJDTI-SSDOTTSWSA-N 1 2 239.300 1.234 20 0 BDADLO O=C1C[C@@H](Nc2cccc(C3CC3)[nH+]2)CO1 ZINC001158251495 963839633 /nfs/dbraw/zinc/83/96/33/963839633.db2.gz LDWBIGWLRUEADW-SECBINFHSA-N 1 2 218.256 1.686 20 0 BDADLO Cc1nc(N(C)[C@H]2CCOC2)c(C)c(C)[nH+]1 ZINC001158574509 963890596 /nfs/dbraw/zinc/89/05/96/963890596.db2.gz YONSPFHVWSRKLU-NSHDSACASA-N 1 2 221.304 1.627 20 0 BDADLO CC(C)Oc1cc(NC2(CO)COC2)cc[nH+]1 ZINC001168173785 963912202 /nfs/dbraw/zinc/91/22/02/963912202.db2.gz IHQHJSOYNOLCMC-UHFFFAOYSA-N 1 2 238.287 1.042 20 0 BDADLO CO[C@@H]1COCC[C@H]1Nc1cc2cc[nH]c2c[nH+]1 ZINC001168189470 963950935 /nfs/dbraw/zinc/95/09/35/963950935.db2.gz SGFDMYDTOLATQC-ZYHUDNBSSA-N 1 2 247.298 1.779 20 0 BDADLO CCN(C)c1cc(N[C@H]2C[C@@H](CO)C2)[nH+]cn1 ZINC001168240120 964040047 /nfs/dbraw/zinc/04/00/47/964040047.db2.gz WFMAZYRSLXUELR-AOOOYVTPSA-N 1 2 236.319 1.116 20 0 BDADLO CCN(C)c1cc(N[C@H]2C[C@@H](CO)C2)nc[nH+]1 ZINC001168240120 964040067 /nfs/dbraw/zinc/04/00/67/964040067.db2.gz WFMAZYRSLXUELR-AOOOYVTPSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](CO)C2)c[nH+]c1C ZINC001168242880 964050700 /nfs/dbraw/zinc/05/07/00/964050700.db2.gz FGDASYYFAKHESH-PHIMTYICSA-N 1 2 206.289 1.881 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1C[C@H](NC(C)=O)C1 ZINC001159510929 964121317 /nfs/dbraw/zinc/12/13/17/964121317.db2.gz RHKDECAFTLDFER-XYPYZODXSA-N 1 2 249.314 1.478 20 0 BDADLO CN(C)c1cc(NCOc2ccccc2)[nH+]cn1 ZINC001159699430 964155735 /nfs/dbraw/zinc/15/57/35/964155735.db2.gz GTNITCOZWMHSJT-UHFFFAOYSA-N 1 2 244.298 1.991 20 0 BDADLO CN(C)c1cc(NCOc2ccccc2)nc[nH+]1 ZINC001159699430 964155746 /nfs/dbraw/zinc/15/57/46/964155746.db2.gz GTNITCOZWMHSJT-UHFFFAOYSA-N 1 2 244.298 1.991 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(F)(F)F ZINC000689965219 964405688 /nfs/dbraw/zinc/40/56/88/964405688.db2.gz JYSFXXZUVYEVJU-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(F)(F)F ZINC000689965219 964405697 /nfs/dbraw/zinc/40/56/97/964405697.db2.gz JYSFXXZUVYEVJU-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc[nH+]c(CC)n1 ZINC001160891193 964435520 /nfs/dbraw/zinc/43/55/20/964435520.db2.gz CPWHWQLRWFOIRF-SECBINFHSA-N 1 2 237.303 1.650 20 0 BDADLO CN(C)c1ccc(NC[C@H]2C[C@@](C)(O)C2)[nH+]c1 ZINC001168344693 964486618 /nfs/dbraw/zinc/48/66/18/964486618.db2.gz UROVLZLLXBHNRS-GSJFWJNXSA-N 1 2 235.331 1.721 20 0 BDADLO C=Cc1ccc(NC[C@H]2C[C@H]2C(=O)OC)[nH+]c1 ZINC001161045942 964499800 /nfs/dbraw/zinc/49/98/00/964499800.db2.gz ZMZIAZPZXPXBFK-GHMZBOCLSA-N 1 2 232.283 1.946 20 0 BDADLO CCC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001161052298 964507386 /nfs/dbraw/zinc/50/73/86/964507386.db2.gz IXAXOXRCWITICW-NSHDSACASA-N 1 2 233.315 1.314 20 0 BDADLO c1cc2c([nH+]c1NC1CSC1)CCOC2 ZINC001168362510 964634782 /nfs/dbraw/zinc/63/47/82/964634782.db2.gz YDTUKDDTAUWYMC-UHFFFAOYSA-N 1 2 222.313 1.682 20 0 BDADLO CC(=O)NCCNc1cc(C)c2[nH]ccc2[nH+]1 ZINC001161663001 964671586 /nfs/dbraw/zinc/67/15/86/964671586.db2.gz DWGZCGOALPEVAR-UHFFFAOYSA-N 1 2 232.287 1.419 20 0 BDADLO [O-][n+]1cccc(F)c1NCCCn1cc[nH+]c1 ZINC001161682622 964683458 /nfs/dbraw/zinc/68/34/58/964683458.db2.gz UAMCWFILZSBHJY-UHFFFAOYSA-N 1 2 236.250 1.158 20 0 BDADLO COc1ncnc(C)c1NCCCn1cc[nH+]c1 ZINC001161684821 964683976 /nfs/dbraw/zinc/68/39/76/964683976.db2.gz RITHWXGPEGNWSO-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO COc1cccc2[nH+]c(NCC(N)=O)ccc21 ZINC001161836704 964781617 /nfs/dbraw/zinc/78/16/17/964781617.db2.gz FPYUMGNSBGSPPS-UHFFFAOYSA-N 1 2 231.255 1.141 20 0 BDADLO CC(C)Oc1cc(NCC(=O)NC2CC2)cc[nH+]1 ZINC001161893414 964812810 /nfs/dbraw/zinc/81/28/10/964812810.db2.gz CGBRZAUXDZNZSE-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1ncc(C)cc1C ZINC001161950589 964832043 /nfs/dbraw/zinc/83/20/43/964832043.db2.gz QWVLMHYAJCPTEP-SNVBAGLBSA-N 1 2 237.303 1.001 20 0 BDADLO COc1cc[nH+]cc1NCc1cnoc1C ZINC001162270138 964899461 /nfs/dbraw/zinc/89/94/61/964899461.db2.gz XITNOTSLOGGDJM-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO c1nc(CNc2ccc3c([nH+]2)CCOC3)no1 ZINC001162275676 964902701 /nfs/dbraw/zinc/90/27/01/964902701.db2.gz DFZQCIZWHSETML-UHFFFAOYSA-N 1 2 232.243 1.149 20 0 BDADLO Cc1nccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168372033 964953302 /nfs/dbraw/zinc/95/33/02/964953302.db2.gz IQCFHETZNVEDIG-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1nccc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168372033 964953308 /nfs/dbraw/zinc/95/33/08/964953308.db2.gz IQCFHETZNVEDIG-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO COCc1cc[nH+]c(NC[C@@H](F)C(C)(C)O)c1 ZINC001162408850 964964858 /nfs/dbraw/zinc/96/48/58/964964858.db2.gz RTXFNCHZAPMYSM-SNVBAGLBSA-N 1 2 242.294 1.749 20 0 BDADLO Cc1cc(N[C@H]2CCS(=O)(=O)C2)c[nH+]c1C ZINC001162500535 965003781 /nfs/dbraw/zinc/00/37/81/965003781.db2.gz YFWJDFVCXBPVER-JTQLQIEISA-N 1 2 240.328 1.297 20 0 BDADLO NC(=O)C1(Nc2ccc(C3CC3)c[nH+]2)CC1 ZINC001162548986 965040512 /nfs/dbraw/zinc/04/05/12/965040512.db2.gz KVEKSGYZZQVLEY-UHFFFAOYSA-N 1 2 217.272 1.389 20 0 BDADLO Cn1cccc1CNc1ccn2cc(N)[nH+]c2c1 ZINC001162709476 965133964 /nfs/dbraw/zinc/13/39/64/965133964.db2.gz LRSVZYHWKZFKCM-UHFFFAOYSA-N 1 2 241.298 1.867 20 0 BDADLO C[C@H](O)CNc1nc2ccccc2n2c[nH+]cc12 ZINC001162833196 965192677 /nfs/dbraw/zinc/19/26/77/965192677.db2.gz RWLCZRKXIYJUBP-VIFPVBQESA-N 1 2 242.282 1.675 20 0 BDADLO CN(Cc1ccc(N)[nH+]c1)c1nccnc1F ZINC001162995284 965222057 /nfs/dbraw/zinc/22/20/57/965222057.db2.gz VZQAWQWOQVJQGP-UHFFFAOYSA-N 1 2 233.250 1.229 20 0 BDADLO CCOc1ccc[nH+]c1N[C@@H]1CNC(=O)C1(C)C ZINC001163014925 965228689 /nfs/dbraw/zinc/22/86/89/965228689.db2.gz CMMAJIWDWLXKEF-SNVBAGLBSA-N 1 2 249.314 1.417 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@@H]1CNC(=O)C1(C)C ZINC001163011593 965230674 /nfs/dbraw/zinc/23/06/74/965230674.db2.gz MAIHINKYUPTLGU-SECBINFHSA-N 1 2 237.278 1.466 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@@H]1CNC(=O)C1(C)C ZINC001163011574 965231403 /nfs/dbraw/zinc/23/14/03/965231403.db2.gz LMGGAZXQDHXZKU-SNVBAGLBSA-N 1 2 249.314 1.335 20 0 BDADLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)NC)CC2 ZINC000058410920 965417516 /nfs/dbraw/zinc/41/75/16/965417516.db2.gz PDQYDTCBLVKJSC-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCOc1ccc2c(c1)C[N@H+](CC(=O)NC)CC2 ZINC000058410920 965417523 /nfs/dbraw/zinc/41/75/23/965417523.db2.gz PDQYDTCBLVKJSC-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1F ZINC001233049640 965462912 /nfs/dbraw/zinc/46/29/12/965462912.db2.gz FYKPYSRKNBMEFD-ONGXEEELSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1F ZINC001233049640 965462922 /nfs/dbraw/zinc/46/29/22/965462922.db2.gz FYKPYSRKNBMEFD-ONGXEEELSA-N 1 2 243.253 1.436 20 0 BDADLO C1=CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC001163922265 965634330 /nfs/dbraw/zinc/63/43/30/965634330.db2.gz XMHOYIWQEHTJMA-UHFFFAOYSA-N 1 2 248.355 1.406 20 0 BDADLO C1=CCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC001163922265 965634335 /nfs/dbraw/zinc/63/43/35/965634335.db2.gz XMHOYIWQEHTJMA-UHFFFAOYSA-N 1 2 248.355 1.406 20 0 BDADLO COc1cc(C)c[nH+]c1N1Cc2cncnc2C1 ZINC001163984942 965680008 /nfs/dbraw/zinc/68/00/08/965680008.db2.gz NWQIHDFORVKLMH-UHFFFAOYSA-N 1 2 242.282 1.709 20 0 BDADLO Cc1nonc1CNc1ccc(N(C)C)c[nH+]1 ZINC001164060630 965721463 /nfs/dbraw/zinc/72/14/63/965721463.db2.gz BIPMLGJYZDAUGH-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO CC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106197852 965809450 /nfs/dbraw/zinc/80/94/50/965809450.db2.gz JOXBTZYMOBYRET-MRVPVSSYSA-N 1 2 222.292 1.112 20 0 BDADLO COc1ccc(C)[nH+]c1N1[C@@H](C)CC[C@H]1CO ZINC001164307772 965838887 /nfs/dbraw/zinc/83/88/87/965838887.db2.gz KRMPLNUOAUSYPY-QWRGUYRKSA-N 1 2 236.315 1.748 20 0 BDADLO CC1(C)CN(c2ccc(N)c[nH+]2)[C@@](C)(CO)C1 ZINC001164357772 965856882 /nfs/dbraw/zinc/85/68/82/965856882.db2.gz RKWOHPCXTCUHRI-CYBMUJFWSA-N 1 2 235.331 1.651 20 0 BDADLO CNc1ccc(NCC(=O)N2CCCC2)c[nH+]1 ZINC001164580628 965925543 /nfs/dbraw/zinc/92/55/43/965925543.db2.gz UBXTUKHCWAUPAX-UHFFFAOYSA-N 1 2 234.303 1.158 20 0 BDADLO CCCc1cc(N2CC[C@@](C)(O)C2)nc(C)[nH+]1 ZINC001165227731 965994015 /nfs/dbraw/zinc/99/40/15/965994015.db2.gz DQPMEWCCXIRROR-CYBMUJFWSA-N 1 2 235.331 1.699 20 0 BDADLO Fc1c[nH+]ccc1NC[C@H]1CSCCS1 ZINC000699601429 966005277 /nfs/dbraw/zinc/00/52/77/966005277.db2.gz ONIQWUBHDOCCES-QMMMGPOBSA-N 1 2 244.360 1.903 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H](CO)C1 ZINC001166549855 966296845 /nfs/dbraw/zinc/29/68/45/966296845.db2.gz LNAXXPZODUSMGC-NSHDSACASA-N 1 2 249.314 1.167 20 0 BDADLO CC(C)c1ccc(N2CC(C(=O)N(C)C)C2)[nH+]c1 ZINC001166737701 966388736 /nfs/dbraw/zinc/38/87/36/966388736.db2.gz UWSXNAWTPACOFV-UHFFFAOYSA-N 1 2 247.342 1.729 20 0 BDADLO Cc1nc(N(C)C2(C)COC2)c(C)c(C)[nH+]1 ZINC001166985139 966508584 /nfs/dbraw/zinc/50/85/84/966508584.db2.gz OZZKRGXWUCTRAG-UHFFFAOYSA-N 1 2 221.304 1.627 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCN(C)C(=O)[C@@H]1C ZINC001167038546 966529367 /nfs/dbraw/zinc/52/93/67/966529367.db2.gz ZWVBFVFCSVJVDF-JTQLQIEISA-N 1 2 249.314 1.066 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCN(C)C(=O)[C@H]1C ZINC001167035794 966531608 /nfs/dbraw/zinc/53/16/08/966531608.db2.gz IBSAYCPHOBKWFV-SNVBAGLBSA-N 1 2 249.314 1.066 20 0 BDADLO CNc1ccc(Nc2cnn3cccnc23)c[nH+]1 ZINC001203449079 966649722 /nfs/dbraw/zinc/64/97/22/966649722.db2.gz YTBRHWCINUIGEB-UHFFFAOYSA-N 1 2 240.270 1.910 20 0 BDADLO CNc1ccc(Nc2nc(OC)ccc2N)c[nH+]1 ZINC001203450106 966654684 /nfs/dbraw/zinc/65/46/84/966654684.db2.gz UMNYGQHPPQINCE-UHFFFAOYSA-N 1 2 245.286 1.853 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)[C@@H](F)C1 ZINC001237596821 966670601 /nfs/dbraw/zinc/67/06/01/966670601.db2.gz IOCKXLCCWVHUOW-JTQLQIEISA-N 1 2 225.267 1.016 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cn(C)nn2)c1 ZINC001203656411 966723542 /nfs/dbraw/zinc/72/35/42/966723542.db2.gz RCOFUZJKMZVZQW-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO CCCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737174 966781525 /nfs/dbraw/zinc/78/15/25/966781525.db2.gz LRDNSGPSTKIUCX-SSDOTTSWSA-N 1 2 244.232 1.393 20 0 BDADLO CCCC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737174 966781532 /nfs/dbraw/zinc/78/15/32/966781532.db2.gz LRDNSGPSTKIUCX-SSDOTTSWSA-N 1 2 244.232 1.393 20 0 BDADLO O=C1CC[N@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001203859597 966793176 /nfs/dbraw/zinc/79/31/76/966793176.db2.gz XBMXSYSMKWOGRJ-LBPRGKRZSA-N 1 2 237.274 1.895 20 0 BDADLO O=C1CC[N@@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001203859597 966793182 /nfs/dbraw/zinc/79/31/82/966793182.db2.gz XBMXSYSMKWOGRJ-LBPRGKRZSA-N 1 2 237.274 1.895 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc(OC)c1 ZINC001203858953 966796795 /nfs/dbraw/zinc/79/67/95/966796795.db2.gz FZGIKNKPKMXPMS-FZMZJTMJSA-N 1 2 249.310 1.677 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc(OC)c1 ZINC001203858953 966796810 /nfs/dbraw/zinc/79/68/10/966796810.db2.gz FZGIKNKPKMXPMS-FZMZJTMJSA-N 1 2 249.310 1.677 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC001203867857 966801915 /nfs/dbraw/zinc/80/19/15/966801915.db2.gz RXJDEGUMBOXMJO-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1cccc(O)c1)C2 ZINC001203867857 966801917 /nfs/dbraw/zinc/80/19/17/966801917.db2.gz RXJDEGUMBOXMJO-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Clc1ncc2c(n1)CC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203983569 966841834 /nfs/dbraw/zinc/84/18/34/966841834.db2.gz JSLXLMXDFSYJMC-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1ncc2c(n1)CC[N@H+](Cc1ncc[nH]1)C2 ZINC001203983569 966841839 /nfs/dbraw/zinc/84/18/39/966841839.db2.gz JSLXLMXDFSYJMC-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CN1CC[N@H+](Cc2c[nH]c3ccccc23)CC1=O ZINC001204041490 966863445 /nfs/dbraw/zinc/86/34/45/966863445.db2.gz OYDSQFWMNOCEEM-UHFFFAOYSA-N 1 2 243.310 1.442 20 0 BDADLO CN1CC[N@@H+](Cc2c[nH]c3ccccc23)CC1=O ZINC001204041490 966863449 /nfs/dbraw/zinc/86/34/49/966863449.db2.gz OYDSQFWMNOCEEM-UHFFFAOYSA-N 1 2 243.310 1.442 20 0 BDADLO N#CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204049866 966868584 /nfs/dbraw/zinc/86/85/84/966868584.db2.gz KQBVLBLPDBHRKN-UHFFFAOYSA-N 1 2 240.310 1.767 20 0 BDADLO CC(C)(C)[C@H](CO)Nc1ccn2cc(N)[nH+]c2c1 ZINC001168554206 966876362 /nfs/dbraw/zinc/87/63/62/966876362.db2.gz NSVFCPAIENCNFO-JTQLQIEISA-N 1 2 248.330 1.735 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@H]1F ZINC001204193408 966923126 /nfs/dbraw/zinc/92/31/26/966923126.db2.gz IWBSDZJMHAQBOO-KOLCDFICSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@H]1F ZINC001204193408 966923129 /nfs/dbraw/zinc/92/31/29/966923129.db2.gz IWBSDZJMHAQBOO-KOLCDFICSA-N 1 2 245.244 1.870 20 0 BDADLO Nc1cc(OCC2CC2)nn1-c1ccc[nH+]c1N ZINC001212391490 967003658 /nfs/dbraw/zinc/00/36/58/967003658.db2.gz PJNAOGRRMCKMDV-UHFFFAOYSA-N 1 2 245.286 1.221 20 0 BDADLO Nc1[nH+]cccc1Nc1cc[nH]c(=O)c1 ZINC001212391645 967009297 /nfs/dbraw/zinc/00/92/97/967009297.db2.gz SNDWLWNZTTURRF-UHFFFAOYSA-N 1 2 202.217 1.508 20 0 BDADLO CC(C)Oc1cc(N)n(-c2ccc[nH+]c2N)n1 ZINC001212391503 967009129 /nfs/dbraw/zinc/00/91/29/967009129.db2.gz PYYIKLWGKBTOEH-UHFFFAOYSA-N 1 2 233.275 1.219 20 0 BDADLO Nc1[nH+]cccc1Nc1ncc(F)cc1O ZINC001212395376 967023333 /nfs/dbraw/zinc/02/33/33/967023333.db2.gz NDKOHHZFJWDSNI-UHFFFAOYSA-N 1 2 220.207 1.647 20 0 BDADLO Cc1c(C[N@@H+]2CCCC(=O)CC2)cnn1C ZINC001204568671 967057922 /nfs/dbraw/zinc/05/79/22/967057922.db2.gz DDZMQMZQOQLVSW-UHFFFAOYSA-N 1 2 221.304 1.284 20 0 BDADLO Cc1c(C[N@H+]2CCCC(=O)CC2)cnn1C ZINC001204568671 967057933 /nfs/dbraw/zinc/05/79/33/967057933.db2.gz DDZMQMZQOQLVSW-UHFFFAOYSA-N 1 2 221.304 1.284 20 0 BDADLO Cc1cc(Nc2c(N)cc[nH]c2=O)c[nH+]c1N ZINC001249785721 967068524 /nfs/dbraw/zinc/06/85/24/967068524.db2.gz ANNLXRGJPVBMAV-UHFFFAOYSA-N 1 2 231.259 1.399 20 0 BDADLO COC(=O)[C@@]1(C)CCCN1Cc1[nH]c[nH+]c1C ZINC001204587943 967075794 /nfs/dbraw/zinc/07/57/94/967075794.db2.gz OSDWMYIRSGGGQN-GFCCVEGCSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)C(C)(C)C1 ZINC001204589612 967084854 /nfs/dbraw/zinc/08/48/54/967084854.db2.gz JEXNNXHBOZVEFR-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(Oc2ccccc2)C1 ZINC001204588284 967085954 /nfs/dbraw/zinc/08/59/54/967085954.db2.gz GBPYENUGPRTCRS-UHFFFAOYSA-N 1 2 243.310 1.981 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001204593278 967092769 /nfs/dbraw/zinc/09/27/69/967092769.db2.gz VOZFMJUKDCUANY-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCCC2(C1)OCCO2 ZINC001204593278 967092779 /nfs/dbraw/zinc/09/27/79/967092779.db2.gz VOZFMJUKDCUANY-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO N#CNc1cc[nH+]c(N2CCCCC2)c1 ZINC001168631192 967142018 /nfs/dbraw/zinc/14/20/18/967142018.db2.gz NHLPJZNGHVGHIA-UHFFFAOYSA-N 1 2 202.261 1.965 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(F)cc(N(C)C)c1 ZINC001249944214 967187796 /nfs/dbraw/zinc/18/77/96/967187796.db2.gz UPQKGVKHRNXREG-UHFFFAOYSA-N 1 2 238.306 1.913 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(F)cc(N(C)C)c1 ZINC001249944214 967187802 /nfs/dbraw/zinc/18/78/02/967187802.db2.gz UPQKGVKHRNXREG-UHFFFAOYSA-N 1 2 238.306 1.913 20 0 BDADLO CN(C)c1cc(F)cc(C[N@H+](C)C2COC2)c1 ZINC001249955262 967195622 /nfs/dbraw/zinc/19/56/22/967195622.db2.gz IGMNJOHPWSOUJA-UHFFFAOYSA-N 1 2 238.306 1.722 20 0 BDADLO CN(C)c1cc(F)cc(C[N@@H+](C)C2COC2)c1 ZINC001249955262 967195630 /nfs/dbraw/zinc/19/56/30/967195630.db2.gz IGMNJOHPWSOUJA-UHFFFAOYSA-N 1 2 238.306 1.722 20 0 BDADLO CCOC(COC1C[NH+](CC)C1)OCC ZINC001204910459 967231222 /nfs/dbraw/zinc/23/12/22/967231222.db2.gz SRZCDIHUYXQGTA-UHFFFAOYSA-N 1 2 217.309 1.106 20 0 BDADLO c1cn2ccc(Nc3ncccn3)cc2[nH+]1 ZINC001204943998 967247848 /nfs/dbraw/zinc/24/78/48/967247848.db2.gz QKNDOPHKWSRLPR-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO Nc1cn(-c2ccn3cc[nH+]c3c2)ccc1=O ZINC001204959673 967260957 /nfs/dbraw/zinc/26/09/57/967260957.db2.gz TVGBVZXCCGQUQV-UHFFFAOYSA-N 1 2 226.239 1.067 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)CCCC1=O ZINC001204970146 967267321 /nfs/dbraw/zinc/26/73/21/967267321.db2.gz QRXLSAGEOILFMC-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)CCCC1=O ZINC001204970146 967267328 /nfs/dbraw/zinc/26/73/28/967267328.db2.gz QRXLSAGEOILFMC-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC001485838188 967267951 /nfs/dbraw/zinc/26/79/51/967267951.db2.gz AQWRCLPZDXKFJG-YUMQZZPRSA-N 1 2 242.348 1.056 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001205182618 967408940 /nfs/dbraw/zinc/40/89/40/967408940.db2.gz DAWVVBHJVXSCNW-BXKDBHETSA-N 1 2 234.299 1.306 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC001205182618 967408961 /nfs/dbraw/zinc/40/89/61/967408961.db2.gz DAWVVBHJVXSCNW-BXKDBHETSA-N 1 2 234.299 1.306 20 0 BDADLO Cn1ccnc1C[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC001205341011 967551776 /nfs/dbraw/zinc/55/17/76/967551776.db2.gz RCFLGLCRYNPPDL-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1ccnc1C[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC001205341011 967551786 /nfs/dbraw/zinc/55/17/86/967551786.db2.gz RCFLGLCRYNPPDL-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO COc1c(O)cccc1CC[NH+]1CCOCC1 ZINC001250276973 967612207 /nfs/dbraw/zinc/61/22/07/967612207.db2.gz VUUKTIPTRYMVFD-UHFFFAOYSA-N 1 2 237.299 1.276 20 0 BDADLO CN1C[C@H](CNc2cc3cc[nH]c3c[nH+]2)CC1=O ZINC001168719203 967624279 /nfs/dbraw/zinc/62/42/79/967624279.db2.gz ZTVXKYPRCARLPK-VIFPVBQESA-N 1 2 244.298 1.453 20 0 BDADLO COc1cc(C)cc(C[NH+]2CC(OC)C2)c1 ZINC001143149806 967642719 /nfs/dbraw/zinc/64/27/19/967642719.db2.gz HUBPUGMLLUYMAM-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO OCCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001205539269 967679845 /nfs/dbraw/zinc/67/98/45/967679845.db2.gz VNMHXTGJKKVXKB-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001205539269 967679861 /nfs/dbraw/zinc/67/98/61/967679861.db2.gz VNMHXTGJKKVXKB-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO c1cn(CCc2cnn(C3CC3)c2)c[nH+]1 ZINC001250316592 967688906 /nfs/dbraw/zinc/68/89/06/967688906.db2.gz NWFWGHGSQLNONP-UHFFFAOYSA-N 1 2 202.261 1.657 20 0 BDADLO c1cn(CCc2ccc(-c3nn[nH]n3)cc2)c[nH+]1 ZINC001250316692 967691186 /nfs/dbraw/zinc/69/11/86/967691186.db2.gz SVRVSDSEHDVAEO-UHFFFAOYSA-N 1 2 240.270 1.306 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001205563404 967697888 /nfs/dbraw/zinc/69/78/88/967697888.db2.gz PMPYXSBYBUZULK-LBPRGKRZSA-N 1 2 221.304 1.456 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001205563404 967697898 /nfs/dbraw/zinc/69/78/98/967697898.db2.gz PMPYXSBYBUZULK-LBPRGKRZSA-N 1 2 221.304 1.456 20 0 BDADLO Cc1nnc(Cc2ccc(N3CCCC3)[nH+]c2)o1 ZINC001250336802 967722579 /nfs/dbraw/zinc/72/25/79/967722579.db2.gz RVKFJMVSSIOFII-UHFFFAOYSA-N 1 2 244.298 1.964 20 0 BDADLO Cc1noc(Cc2c[nH+]cc(C)c2C)n1 ZINC001250357675 967763232 /nfs/dbraw/zinc/76/32/32/967763232.db2.gz JZMZEOBPZSCKDC-UHFFFAOYSA-N 1 2 203.245 1.981 20 0 BDADLO CNc1ccc(Nc2cnc(OC)cn2)c[nH+]1 ZINC001203448825 967775539 /nfs/dbraw/zinc/77/55/39/967775539.db2.gz MABLWGYKLDQDGR-UHFFFAOYSA-N 1 2 231.259 1.666 20 0 BDADLO CNc1ccc(Cc2noc(COC)n2)c[nH+]1 ZINC001250368284 967779285 /nfs/dbraw/zinc/77/92/85/967779285.db2.gz PSFASEACNISUQU-UHFFFAOYSA-N 1 2 234.259 1.244 20 0 BDADLO CN(C)c1ccc(Cc2cnccn2)c[nH+]1 ZINC001250372872 967784618 /nfs/dbraw/zinc/78/46/18/967784618.db2.gz XFSHAICJSFQETG-UHFFFAOYSA-N 1 2 214.272 1.528 20 0 BDADLO c1cn2ccc(Cc3cnccn3)cc2[nH+]1 ZINC001250373132 967786715 /nfs/dbraw/zinc/78/67/15/967786715.db2.gz JXLSDBLTOJSOMT-UHFFFAOYSA-N 1 2 210.240 1.715 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001203163999 967822986 /nfs/dbraw/zinc/82/29/86/967822986.db2.gz OLPDPVQEHWVHNN-ZMLRMANQSA-N 1 2 221.279 1.575 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001203163999 967822988 /nfs/dbraw/zinc/82/29/88/967822988.db2.gz OLPDPVQEHWVHNN-ZMLRMANQSA-N 1 2 221.279 1.575 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000694466616 967840125 /nfs/dbraw/zinc/84/01/25/967840125.db2.gz IAQONALWTUTMLQ-WCQGTBRESA-N 1 2 221.304 1.554 20 0 BDADLO Cc1cnccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001205828005 967841568 /nfs/dbraw/zinc/84/15/68/967841568.db2.gz IXLKTZGVBCTYDD-UHFFFAOYSA-N 1 2 235.306 1.228 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(C)nn1C)C2 ZINC001205920063 967886405 /nfs/dbraw/zinc/88/64/05/967886405.db2.gz SJZNGLHFNXPXCS-STQMWFEESA-N 1 2 235.331 1.482 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(C)nn1C)C2 ZINC001205920063 967886407 /nfs/dbraw/zinc/88/64/07/967886407.db2.gz SJZNGLHFNXPXCS-STQMWFEESA-N 1 2 235.331 1.482 20 0 BDADLO Nc1ncccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC001205924077 967888260 /nfs/dbraw/zinc/88/82/60/967888260.db2.gz HNTDLLUAZBTGBE-SNVBAGLBSA-N 1 2 229.287 1.095 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001206068250 968035520 /nfs/dbraw/zinc/03/55/20/968035520.db2.gz RHKTXJBFIOFZJS-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2cscn2)C1 ZINC001137597901 968061426 /nfs/dbraw/zinc/06/14/26/968061426.db2.gz VOMVUEGMZLUDHU-QMMMGPOBSA-N 1 2 212.318 1.610 20 0 BDADLO COC(=O)c1c(C)cc(C)[nH+]c1N(C)C ZINC001163569768 968066682 /nfs/dbraw/zinc/06/66/82/968066682.db2.gz ZCRXEFDQGCWBQM-UHFFFAOYSA-N 1 2 208.261 1.551 20 0 BDADLO CO[C@H]1C[N@H+](Cc2sc(C)nc2C)C[C@@H]1F ZINC001206144705 968087103 /nfs/dbraw/zinc/08/71/03/968087103.db2.gz XYOQHCQBTFWFPH-UWVGGRQHSA-N 1 2 244.335 1.929 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@@H]1F ZINC001206144705 968087112 /nfs/dbraw/zinc/08/71/12/968087112.db2.gz XYOQHCQBTFWFPH-UWVGGRQHSA-N 1 2 244.335 1.929 20 0 BDADLO COC(=O)[C@H](C)c1[nH]c2ccc(N(C)C)cc2[nH+]1 ZINC001250577673 968099930 /nfs/dbraw/zinc/09/99/30/968099930.db2.gz VMIMNLOKSABPER-MRVPVSSYSA-N 1 2 247.298 1.905 20 0 BDADLO Cn1cnc(C[N@H+](C)C2CC(F)(F)C2)c1 ZINC001206198851 968126588 /nfs/dbraw/zinc/12/65/88/968126588.db2.gz NJQZOTFGNWTWFM-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO Cn1cnc(C[N@@H+](C)C2CC(F)(F)C2)c1 ZINC001206198851 968126592 /nfs/dbraw/zinc/12/65/92/968126592.db2.gz NJQZOTFGNWTWFM-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO CC[N@H+](Cc1cn(C)cn1)Cc1cccnc1 ZINC001206230583 968155416 /nfs/dbraw/zinc/15/54/16/968155416.db2.gz RWXJHBMYCYSJQE-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cn(C)cn1)Cc1cccnc1 ZINC001206230583 968155422 /nfs/dbraw/zinc/15/54/22/968155422.db2.gz RWXJHBMYCYSJQE-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CCc1ccc(N[C@@H]2C=CS(=O)(=O)C2)[nH+]c1 ZINC001164014690 968156198 /nfs/dbraw/zinc/15/61/98/968156198.db2.gz BHORPIQWACOAOH-SNVBAGLBSA-N 1 2 238.312 1.367 20 0 BDADLO C[C@]1(CF)CC(F)(F)CN1c1cc(N)[nH+]cn1 ZINC001164562127 968251400 /nfs/dbraw/zinc/25/14/00/968251400.db2.gz CKFGQMJAQGQADB-SECBINFHSA-N 1 2 246.236 1.632 20 0 BDADLO CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001251586323 968295746 /nfs/dbraw/zinc/29/57/46/968295746.db2.gz SDQZSIBBTVYALB-SECBINFHSA-N 1 2 207.277 1.455 20 0 BDADLO COc1cnccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001206447236 968309544 /nfs/dbraw/zinc/30/95/44/968309544.db2.gz LTYGBCAPBPLEIA-SDDRHHMPSA-N 1 2 236.290 1.880 20 0 BDADLO COc1cnccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001206447236 968309554 /nfs/dbraw/zinc/30/95/54/968309554.db2.gz LTYGBCAPBPLEIA-SDDRHHMPSA-N 1 2 236.290 1.880 20 0 BDADLO COc1cnccc1C[N@@H+]1CC[C@H](F)C1 ZINC001206450297 968314524 /nfs/dbraw/zinc/31/45/24/968314524.db2.gz ZEYAREJCXBSKEL-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1cnccc1C[N@H+]1CC[C@H](F)C1 ZINC001206450297 968314534 /nfs/dbraw/zinc/31/45/34/968314534.db2.gz ZEYAREJCXBSKEL-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1cnccc1C[N@@H+]1CCOCC12CCC2 ZINC001206480033 968335959 /nfs/dbraw/zinc/33/59/59/968335959.db2.gz GLUUKZUEWLELGD-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cnccc1C[N@H+]1CCOCC12CCC2 ZINC001206480033 968335967 /nfs/dbraw/zinc/33/59/67/968335967.db2.gz GLUUKZUEWLELGD-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001251811504 968344433 /nfs/dbraw/zinc/34/44/33/968344433.db2.gz RXPJTQJOQBNDPL-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO CCOC(=O)CCN(C)c1cc[nH+]c(CC)n1 ZINC001119351286 968347691 /nfs/dbraw/zinc/34/76/91/968347691.db2.gz CWWVEARXCHHYPM-UHFFFAOYSA-N 1 2 237.303 1.428 20 0 BDADLO O[C@H](CNc1cc[nH+]nc1)c1ccccc1 ZINC001251980146 968424133 /nfs/dbraw/zinc/42/41/33/968424133.db2.gz PHDMSRRVQJHMER-GFCCVEGCSA-N 1 2 215.256 1.622 20 0 BDADLO O[C@@H](C[NH+]1CC2(CCO2)C1)c1ccccc1 ZINC001251991118 968429451 /nfs/dbraw/zinc/42/94/51/968429451.db2.gz GWYINCSHTBJANJ-LBPRGKRZSA-N 1 2 219.284 1.195 20 0 BDADLO CC1(C[NH3+])C[NH+](Cc2ccccc2C(=O)[O-])C1 ZINC001206722957 968440491 /nfs/dbraw/zinc/44/04/91/968440491.db2.gz JKSFVXAKKPFHKU-UHFFFAOYSA-N 1 2 234.299 1.165 20 0 BDADLO CCOC[C@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252035778 968451746 /nfs/dbraw/zinc/45/17/46/968451746.db2.gz BQKRMGLRAVNBMT-LLVKDONJSA-N 1 2 249.314 1.383 20 0 BDADLO Cn1cnc2c1CC[N@H+](Cc1ccncc1F)C2 ZINC001206790094 968471114 /nfs/dbraw/zinc/47/11/14/968471114.db2.gz ZLZKPJYEQGWXSY-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cn1cnc2c1CC[N@@H+](Cc1ccncc1F)C2 ZINC001206790094 968471121 /nfs/dbraw/zinc/47/11/21/968471121.db2.gz ZLZKPJYEQGWXSY-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)no1 ZINC001206820123 968489829 /nfs/dbraw/zinc/48/98/29/968489829.db2.gz BTLQQOZEXWGRDG-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1cc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)no1 ZINC001206820123 968489834 /nfs/dbraw/zinc/48/98/34/968489834.db2.gz BTLQQOZEXWGRDG-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO CCCC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC001252075908 968492320 /nfs/dbraw/zinc/49/23/20/968492320.db2.gz DTBFWNJGLICWTJ-GFCCVEGCSA-N 1 2 220.316 1.948 20 0 BDADLO CCCC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC001252075908 968492325 /nfs/dbraw/zinc/49/23/25/968492325.db2.gz DTBFWNJGLICWTJ-GFCCVEGCSA-N 1 2 220.316 1.948 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC001206853889 968499994 /nfs/dbraw/zinc/49/99/94/968499994.db2.gz HHSSNOVUUSMGDR-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC001206853889 968499998 /nfs/dbraw/zinc/49/99/98/968499998.db2.gz HHSSNOVUUSMGDR-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206859717 968504928 /nfs/dbraw/zinc/50/49/28/968504928.db2.gz JSLIWQGPGKYHGI-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206859717 968504933 /nfs/dbraw/zinc/50/49/33/968504933.db2.gz JSLIWQGPGKYHGI-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cncc(OC)c1)C2 ZINC001206997842 968531759 /nfs/dbraw/zinc/53/17/59/968531759.db2.gz AXSVIBWABWQRFE-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cncc(OC)c1)C2 ZINC001206997842 968531766 /nfs/dbraw/zinc/53/17/66/968531766.db2.gz AXSVIBWABWQRFE-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccc[nH]c1=O ZINC001207010703 968546816 /nfs/dbraw/zinc/54/68/16/968546816.db2.gz SGLNAKFIKRZMQO-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccc[nH]c1=O ZINC001207010703 968546818 /nfs/dbraw/zinc/54/68/18/968546818.db2.gz SGLNAKFIKRZMQO-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ncccc1F)C2 ZINC001207035945 968568200 /nfs/dbraw/zinc/56/82/00/968568200.db2.gz OVGPWULROVKHHJ-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO CCCC[C@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC001252094319 968572039 /nfs/dbraw/zinc/57/20/39/968572039.db2.gz NCQTZGGTGMZDGU-LBPRGKRZSA-N 1 2 242.363 1.090 20 0 BDADLO CCCC[C@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC001252094319 968572043 /nfs/dbraw/zinc/57/20/43/968572043.db2.gz NCQTZGGTGMZDGU-LBPRGKRZSA-N 1 2 242.363 1.090 20 0 BDADLO COC(=O)C1C[NH+](Cc2cnc(C)s2)C1 ZINC001207058792 968591858 /nfs/dbraw/zinc/59/18/58/968591858.db2.gz LWTSCVHXVJGVKG-UHFFFAOYSA-N 1 2 226.301 1.056 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252112008 968595629 /nfs/dbraw/zinc/59/56/29/968595629.db2.gz HNYRKBJQGXEHGN-NEPJUHHUSA-N 1 2 245.363 1.715 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001252111479 968596579 /nfs/dbraw/zinc/59/65/79/968596579.db2.gz WGPMQPYQCVOWOX-RYUDHWBXSA-N 1 2 245.363 1.859 20 0 BDADLO O=c1cccc(C[N@@H+]2CCc3cccnc3C2)[nH]1 ZINC001207070330 968600247 /nfs/dbraw/zinc/60/02/47/968600247.db2.gz PDMNORCYCZOBOU-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO O=c1cccc(C[N@H+]2CCc3cccnc3C2)[nH]1 ZINC001207070330 968600254 /nfs/dbraw/zinc/60/02/54/968600254.db2.gz PDMNORCYCZOBOU-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207090193 968622344 /nfs/dbraw/zinc/62/23/44/968622344.db2.gz FXEQLBKKDDUXPF-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207090193 968622346 /nfs/dbraw/zinc/62/23/46/968622346.db2.gz FXEQLBKKDDUXPF-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207098472 968631676 /nfs/dbraw/zinc/63/16/76/968631676.db2.gz SORVVASCVWCMOL-MRVPVSSYSA-N 1 2 228.242 1.174 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207098472 968631680 /nfs/dbraw/zinc/63/16/80/968631680.db2.gz SORVVASCVWCMOL-MRVPVSSYSA-N 1 2 228.242 1.174 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2cnccc2C1 ZINC001207140281 968652617 /nfs/dbraw/zinc/65/26/17/968652617.db2.gz KXKXQDQORYSAJS-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2cnccc2C1 ZINC001207140281 968652621 /nfs/dbraw/zinc/65/26/21/968652621.db2.gz KXKXQDQORYSAJS-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1F ZINC001207148082 968655972 /nfs/dbraw/zinc/65/59/72/968655972.db2.gz WVIUTVLWPSURFE-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1F ZINC001207148082 968655974 /nfs/dbraw/zinc/65/59/74/968655974.db2.gz WVIUTVLWPSURFE-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2ccncn2)c1 ZINC001207163099 968669373 /nfs/dbraw/zinc/66/93/73/968669373.db2.gz KRVOFBAMUUFBQQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2ccncn2)c1 ZINC001207163099 968669376 /nfs/dbraw/zinc/66/93/76/968669376.db2.gz KRVOFBAMUUFBQQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nc(-n2cncn2)cc(NC2CC(F)C2)[nH+]1 ZINC001154842554 968692253 /nfs/dbraw/zinc/69/22/53/968692253.db2.gz APFGZVVZOBJCJG-UHFFFAOYSA-N 1 2 248.265 1.278 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)c1cnccn1 ZINC001085446680 968717784 /nfs/dbraw/zinc/71/77/84/968717784.db2.gz JXZTYSDKARNDCG-JQWIXIFHSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1cnccn1 ZINC001085446680 968717791 /nfs/dbraw/zinc/71/77/91/968717791.db2.gz JXZTYSDKARNDCG-JQWIXIFHSA-N 1 2 248.330 1.090 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)c1ccc[nH]1 ZINC001085482690 968757412 /nfs/dbraw/zinc/75/74/12/968757412.db2.gz KNKKZEDFUUQGKC-SNVBAGLBSA-N 1 2 239.294 1.131 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)c1ccc[nH]1 ZINC001085482690 968757424 /nfs/dbraw/zinc/75/74/24/968757424.db2.gz KNKKZEDFUUQGKC-SNVBAGLBSA-N 1 2 239.294 1.131 20 0 BDADLO CC1(C[N@@H+]2CC(F)(F)C[C@@]2(C)CO)COC1 ZINC001207790640 968885671 /nfs/dbraw/zinc/88/56/71/968885671.db2.gz GTALQIMTVBTMTA-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO CC1(C[N@H+]2CC(F)(F)C[C@@]2(C)CO)COC1 ZINC001207790640 968885679 /nfs/dbraw/zinc/88/56/79/968885679.db2.gz GTALQIMTVBTMTA-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO CC1(C[NH+]2CC3(C2)CC(F)(F)CO3)COC1 ZINC001207801818 968887881 /nfs/dbraw/zinc/88/78/81/968887881.db2.gz VXQBGESNIMNGSL-UHFFFAOYSA-N 1 2 233.258 1.133 20 0 BDADLO CCC[C@@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252773086 968941066 /nfs/dbraw/zinc/94/10/66/968941066.db2.gz UWCIUOJXPXLZEC-LLVKDONJSA-N 1 2 223.320 1.721 20 0 BDADLO CCC[C@@H](O)CNc1c[nH+]ccc1OC ZINC001252774163 968942542 /nfs/dbraw/zinc/94/25/42/968942542.db2.gz HRWDRRPECXZCJA-SECBINFHSA-N 1 2 210.277 1.663 20 0 BDADLO Nc1cc(-c2ccc3c(c2)C(=O)NC3)cc[nH+]1 ZINC001241163324 968944982 /nfs/dbraw/zinc/94/49/82/968944982.db2.gz UOFFGZVOEBQFLA-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO Cc1ccc(CCC[NH+]2CC3(CCO3)C2)o1 ZINC001207952024 968950541 /nfs/dbraw/zinc/95/05/41/968950541.db2.gz GMACBLCMCBTTQV-UHFFFAOYSA-N 1 2 221.300 1.995 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(N)ncn1 ZINC001241234470 968961539 /nfs/dbraw/zinc/96/15/39/968961539.db2.gz AAFUGRZKMFSHEL-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO F[C@@H]1C[NH+](CCCn2cccn2)C[C@H]1F ZINC001208082794 968984334 /nfs/dbraw/zinc/98/43/34/968984334.db2.gz VJNUQXBMGUKGGI-NXEZZACHSA-N 1 2 215.247 1.265 20 0 BDADLO F[C@@H]1C[N@@H+](CCCn2cccn2)C[C@@H]1F ZINC001208082793 968984605 /nfs/dbraw/zinc/98/46/05/968984605.db2.gz VJNUQXBMGUKGGI-AOOOYVTPSA-N 1 2 215.247 1.265 20 0 BDADLO F[C@@H]1C[N@H+](CCCn2cccn2)C[C@@H]1F ZINC001208082793 968984610 /nfs/dbraw/zinc/98/46/10/968984610.db2.gz VJNUQXBMGUKGGI-AOOOYVTPSA-N 1 2 215.247 1.265 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252803414 968988592 /nfs/dbraw/zinc/98/85/92/968988592.db2.gz RJSAVLPGKAQYPI-RYUDHWBXSA-N 1 2 243.347 1.469 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1F ZINC000886023851 969076794 /nfs/dbraw/zinc/07/67/94/969076794.db2.gz XAJJNJFBFPTKGE-VHSXEESVSA-N 1 2 215.293 1.653 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1F ZINC000886023851 969076806 /nfs/dbraw/zinc/07/68/06/969076806.db2.gz XAJJNJFBFPTKGE-VHSXEESVSA-N 1 2 215.293 1.653 20 0 BDADLO Cc1nnc(-c2cccc3[nH+]ccn32)o1 ZINC001253387333 969150925 /nfs/dbraw/zinc/15/09/25/969150925.db2.gz MLNFHLVIBKZOOB-UHFFFAOYSA-N 1 2 200.201 1.693 20 0 BDADLO CC(C)(C)OC[C@H](O)CNc1[nH+]cccc1O ZINC001253443461 969177378 /nfs/dbraw/zinc/17/73/78/969177378.db2.gz SAJAPCGJDFRBCP-SECBINFHSA-N 1 2 240.303 1.375 20 0 BDADLO CCCCC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC001253547261 969219837 /nfs/dbraw/zinc/21/98/37/969219837.db2.gz IDDUTBVFVNYWCJ-NSHDSACASA-N 1 2 211.309 1.441 20 0 BDADLO COc1cc[nH+]cc1NC1COC(C)(C)OC1 ZINC001168905234 969263519 /nfs/dbraw/zinc/26/35/19/969263519.db2.gz WDEDVVQHTDNFNW-UHFFFAOYSA-N 1 2 238.287 1.654 20 0 BDADLO CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001208953362 969310346 /nfs/dbraw/zinc/31/03/46/969310346.db2.gz DFZGXSUYMDBERK-UTUOFQBUSA-N 1 2 246.301 1.237 20 0 BDADLO CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001208953362 969310353 /nfs/dbraw/zinc/31/03/53/969310353.db2.gz DFZGXSUYMDBERK-UTUOFQBUSA-N 1 2 246.301 1.237 20 0 BDADLO C[C@@H](c1nc(-c2cnn(C)c2)no1)n1cc[nH+]c1 ZINC000349841734 969333968 /nfs/dbraw/zinc/33/39/68/969333968.db2.gz NGESKFFVDVSIPK-QMMMGPOBSA-N 1 2 244.258 1.276 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1Cc2cncnc2C1 ZINC001253715884 969341484 /nfs/dbraw/zinc/34/14/84/969341484.db2.gz RNYWHGAZJGLBJM-LLVKDONJSA-N 1 2 221.304 1.199 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1Cc2cncnc2C1 ZINC001253715884 969341488 /nfs/dbraw/zinc/34/14/88/969341488.db2.gz RNYWHGAZJGLBJM-LLVKDONJSA-N 1 2 221.304 1.199 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)Cc1ccccc1 ZINC000169935097 969361411 /nfs/dbraw/zinc/36/14/11/969361411.db2.gz WURRXNMEKUSJNX-UHFFFAOYSA-N 1 2 243.310 1.322 20 0 BDADLO CN(C)C1C[NH+](CCCc2cccnc2)C1 ZINC001209171095 969367464 /nfs/dbraw/zinc/36/74/64/969367464.db2.gz CZJURSCFBRHGJC-UHFFFAOYSA-N 1 2 219.332 1.260 20 0 BDADLO Cc1cc2cc(NCC3OCCO3)[nH+]cc2[nH]1 ZINC001169063252 969374086 /nfs/dbraw/zinc/37/40/86/969374086.db2.gz VUXMGFPVZILQHZ-UHFFFAOYSA-N 1 2 233.271 1.656 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001253758462 969377992 /nfs/dbraw/zinc/37/79/92/969377992.db2.gz YTQIXTCDCHQVCI-VHSXEESVSA-N 1 2 239.281 1.930 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001253758462 969377996 /nfs/dbraw/zinc/37/79/96/969377996.db2.gz YTQIXTCDCHQVCI-VHSXEESVSA-N 1 2 239.281 1.930 20 0 BDADLO CC(C)Oc1cc(NCC2OCCO2)cc[nH+]1 ZINC001169064467 969378663 /nfs/dbraw/zinc/37/86/63/969378663.db2.gz MRVKVYQBIHCCGL-UHFFFAOYSA-N 1 2 238.287 1.654 20 0 BDADLO Cc1cc(NCC2OCCO2)c[nH+]c1C ZINC001169067807 969380726 /nfs/dbraw/zinc/38/07/26/969380726.db2.gz VIRZTCQWMJCZDY-UHFFFAOYSA-N 1 2 208.261 1.483 20 0 BDADLO Cc1cc2c(cn1)CN(CC[NH+]1CCOCC1)C2 ZINC001209293505 969426626 /nfs/dbraw/zinc/42/66/26/969426626.db2.gz RLQUTIZDRNPXFF-UHFFFAOYSA-N 1 2 247.342 1.038 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2c(C)cccc2C)C[NH2+]1 ZINC001169131260 969437073 /nfs/dbraw/zinc/43/70/73/969437073.db2.gz WWMVBEKLEMLSSW-NEPJUHHUSA-N 1 2 248.326 1.619 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209576220 969563417 /nfs/dbraw/zinc/56/34/17/969563417.db2.gz TXXOITNTKUSMLC-LBPRGKRZSA-N 1 2 224.304 1.170 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1ccc(C)[nH]1 ZINC001209576220 969563420 /nfs/dbraw/zinc/56/34/20/969563420.db2.gz TXXOITNTKUSMLC-LBPRGKRZSA-N 1 2 224.304 1.170 20 0 BDADLO c1ccc(OC2C[NH+]([C@@H]3CCCOC3)C2)cc1 ZINC001254384950 969604120 /nfs/dbraw/zinc/60/41/20/969604120.db2.gz VWFHGCIJQGOWBJ-GFCCVEGCSA-N 1 2 233.311 1.929 20 0 BDADLO Cc1nonc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209842859 969654752 /nfs/dbraw/zinc/65/47/52/969654752.db2.gz QYIQGBRILIJIPV-UHFFFAOYSA-N 1 2 215.216 1.998 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2cnoc2c1 ZINC001169654093 969799306 /nfs/dbraw/zinc/79/93/06/969799306.db2.gz ONMDWAIOZMDGEG-LBPRGKRZSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccc2cnoc2c1 ZINC001169654093 969799316 /nfs/dbraw/zinc/79/93/16/969799316.db2.gz ONMDWAIOZMDGEG-LBPRGKRZSA-N 1 2 247.298 1.570 20 0 BDADLO CCc1cccc(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC001169656444 969800797 /nfs/dbraw/zinc/80/07/97/969800797.db2.gz MAVQNJOPLZDNHN-GFCCVEGCSA-N 1 2 235.331 1.387 20 0 BDADLO CCc1cccc(NC[C@@H]2COCC[N@H+]2C)n1 ZINC001169656444 969800798 /nfs/dbraw/zinc/80/07/98/969800798.db2.gz MAVQNJOPLZDNHN-GFCCVEGCSA-N 1 2 235.331 1.387 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cccc2c1OCC2 ZINC001169655171 969801576 /nfs/dbraw/zinc/80/15/76/969801576.db2.gz FBBQTCUMLULBRU-GFCCVEGCSA-N 1 2 248.326 1.364 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cccc2c1OCC2 ZINC001169655171 969801582 /nfs/dbraw/zinc/80/15/82/969801582.db2.gz FBBQTCUMLULBRU-GFCCVEGCSA-N 1 2 248.326 1.364 20 0 BDADLO Cc1cncc(NC[C@H]2COCC[N@H+]2C)c1 ZINC001169652680 969802268 /nfs/dbraw/zinc/80/22/68/969802268.db2.gz APFJTCBOQLZQEM-LBPRGKRZSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1cncc(NC[C@H]2COCC[N@@H+]2C)c1 ZINC001169652680 969802273 /nfs/dbraw/zinc/80/22/73/969802273.db2.gz APFJTCBOQLZQEM-LBPRGKRZSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ncccc1NC[C@H]1COCC[N@@H+]1C ZINC001169658427 969803255 /nfs/dbraw/zinc/80/32/55/969803255.db2.gz WHZRUTDDJOWDSI-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ncccc1NC[C@H]1COCC[N@H+]1C ZINC001169658427 969803253 /nfs/dbraw/zinc/80/32/53/969803253.db2.gz WHZRUTDDJOWDSI-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO CCCOC(=O)C[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254939422 969829845 /nfs/dbraw/zinc/82/98/45/969829845.db2.gz GPAFMWWZPFZWSN-NXEZZACHSA-N 1 2 239.315 1.287 20 0 BDADLO CC(=O)c1nn(C)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288137 969855884 /nfs/dbraw/zinc/85/58/84/969855884.db2.gz BIMUVHHYRJFFQW-UHFFFAOYSA-N 1 2 245.286 1.652 20 0 BDADLO O=C1NCc2ccccc2[C@@H]1Nc1cccc[nH+]1 ZINC001169876764 969878316 /nfs/dbraw/zinc/87/83/16/969878316.db2.gz DULOGCVBJXLPAZ-ZDUSSCGKSA-N 1 2 239.278 1.865 20 0 BDADLO c1[nH]cc(Cc2nnc(C3CCC3)o2)[nH+]1 ZINC001255182932 969999794 /nfs/dbraw/zinc/99/97/94/969999794.db2.gz XFCPYEMMZLYMED-UHFFFAOYSA-N 1 2 204.233 1.651 20 0 BDADLO CCOC(C)(C)C[N@@H+]1CC[C@H]1C(=O)OC ZINC000167111248 970004288 /nfs/dbraw/zinc/00/42/88/970004288.db2.gz NJOBOSSSDFSNQN-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(C)(C)C[N@H+]1CC[C@H]1C(=O)OC ZINC000167111248 970004296 /nfs/dbraw/zinc/00/42/96/970004296.db2.gz NJOBOSSSDFSNQN-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCSC2)CCC1 ZINC001255271890 970021728 /nfs/dbraw/zinc/02/17/28/970021728.db2.gz LNJYRDRYTMVEHD-VIFPVBQESA-N 1 2 229.345 1.567 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCSC1)C1CCCC1 ZINC001255276443 970030765 /nfs/dbraw/zinc/03/07/65/970030765.db2.gz JIPOBCTWTCTXJO-MNOVXSKESA-N 1 2 243.372 1.813 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001255320021 970094505 /nfs/dbraw/zinc/09/45/05/970094505.db2.gz NMHJLFUIBCKEKM-PWSUYJOCSA-N 1 2 229.320 1.487 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)NC(=O)C2 ZINC001243068993 970262466 /nfs/dbraw/zinc/26/24/66/970262466.db2.gz LYVZVTYPQBBERG-UHFFFAOYSA-N 1 2 213.240 1.582 20 0 BDADLO CC(=O)N1CCc2cc(-c3c[nH+]cn3C)ccc21 ZINC001243069737 970263194 /nfs/dbraw/zinc/26/31/94/970263194.db2.gz YCRQUNLVUYRZBT-UHFFFAOYSA-N 1 2 241.294 1.996 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@H](C)C1)[C@@H](C)O ZINC001170100818 970290883 /nfs/dbraw/zinc/29/08/83/970290883.db2.gz LMELXJNDLCMSPR-ZRUFSTJUSA-N 1 2 229.320 1.077 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001255547232 970316018 /nfs/dbraw/zinc/31/60/18/970316018.db2.gz STUWTRMCBZBGBM-VHSXEESVSA-N 1 2 249.301 1.646 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001255547232 970316028 /nfs/dbraw/zinc/31/60/28/970316028.db2.gz STUWTRMCBZBGBM-VHSXEESVSA-N 1 2 249.301 1.646 20 0 BDADLO Cc1cc(C)c(Nc2cnc(C(N)=O)nc2)c[nH+]1 ZINC001213508102 970329302 /nfs/dbraw/zinc/32/93/02/970329302.db2.gz LBUQGHNKOLITST-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO Cc1cc(C)c(Nc2c(N)cnn2CCO)c[nH+]1 ZINC001213506024 970334244 /nfs/dbraw/zinc/33/42/44/970334244.db2.gz YXANCMLRIBMEKA-UHFFFAOYSA-N 1 2 247.302 1.213 20 0 BDADLO Cc1c[nH+]cc(Nc2cnn(C)c2C(N)=O)c1C ZINC001213522619 970342784 /nfs/dbraw/zinc/34/27/84/970342784.db2.gz DIIAWCHOBPFFQP-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO Cc1c[nH+]cc(Nc2cnc(N)cn2)c1C ZINC001213525344 970349129 /nfs/dbraw/zinc/34/91/29/970349129.db2.gz RWYPJKYGCCOALI-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001255581327 970385500 /nfs/dbraw/zinc/38/55/00/970385500.db2.gz KQUDHQMNVDEXNW-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001255581327 970385509 /nfs/dbraw/zinc/38/55/09/970385509.db2.gz KQUDHQMNVDEXNW-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)CC(F)(F)F ZINC001255636858 970411740 /nfs/dbraw/zinc/41/17/40/970411740.db2.gz GADXQGZFGUHTFO-SFYZADRCSA-N 1 2 239.237 1.965 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1[C@H](C)CC(F)(F)F ZINC001255636858 970411745 /nfs/dbraw/zinc/41/17/45/970411745.db2.gz GADXQGZFGUHTFO-SFYZADRCSA-N 1 2 239.237 1.965 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@@H+]1[C@H]1CC[C@@H](C)C1 ZINC001170161155 970502990 /nfs/dbraw/zinc/50/29/90/970502990.db2.gz LPJGMXOOHZTMFP-MDZLAQPJSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@H+]1[C@H]1CC[C@@H](C)C1 ZINC001170161155 970503003 /nfs/dbraw/zinc/50/30/03/970503003.db2.gz LPJGMXOOHZTMFP-MDZLAQPJSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+]C2(C(=O)OC)CC2)CCO1 ZINC001170164191 970519492 /nfs/dbraw/zinc/51/94/92/970519492.db2.gz DYEGSWMWTLXQSR-VHSXEESVSA-N 1 2 227.304 1.239 20 0 BDADLO Nc1cc(N2CC[C@H](C3CC3)C2)[nH+]cn1 ZINC000400126608 970549682 /nfs/dbraw/zinc/54/96/82/970549682.db2.gz PUQXYKAFSMBPLE-VIFPVBQESA-N 1 2 204.277 1.295 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@]12CCOC2)n1cc[nH+]c1 ZINC001327350411 972554696 /nfs/dbraw/zinc/55/46/96/972554696.db2.gz CYJKZZFSWIOVME-YPMHNXCESA-N 1 2 249.314 1.226 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144110362 972576391 /nfs/dbraw/zinc/57/63/91/972576391.db2.gz LNAPISOEORPECG-UHFFFAOYSA-N 1 2 248.326 1.365 20 0 BDADLO COC[C@H](C)OC[C@@H](C)OCc1c[nH+]cn1C ZINC001222599796 972598605 /nfs/dbraw/zinc/59/86/05/972598605.db2.gz FVWPFFKCBTTYTH-WDEREUQCSA-N 1 2 242.319 1.377 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)n[nH]1 ZINC001327519139 972608632 /nfs/dbraw/zinc/60/86/32/972608632.db2.gz JZHFTCBJMDFMLA-LLVKDONJSA-N 1 2 236.319 1.196 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@H]2C2CCOCC2)n[nH]1 ZINC001327519139 972608637 /nfs/dbraw/zinc/60/86/37/972608637.db2.gz JZHFTCBJMDFMLA-LLVKDONJSA-N 1 2 236.319 1.196 20 0 BDADLO CC[N@H+](Cc1nnc[nH]1)[C@@H]1CCOC(C)(C)C1 ZINC001327565419 972639325 /nfs/dbraw/zinc/63/93/25/972639325.db2.gz UFPPHXRDAHRRPS-SNVBAGLBSA-N 1 2 238.335 1.584 20 0 BDADLO CC[N@@H+](Cc1nnc[nH]1)[C@@H]1CCOC(C)(C)C1 ZINC001327565419 972639334 /nfs/dbraw/zinc/63/93/34/972639334.db2.gz UFPPHXRDAHRRPS-SNVBAGLBSA-N 1 2 238.335 1.584 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCC1=O ZINC001144168575 972663164 /nfs/dbraw/zinc/66/31/64/972663164.db2.gz CZOQXIYVOJOBKX-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCC1=O ZINC001144168575 972663160 /nfs/dbraw/zinc/66/31/60/972663160.db2.gz CZOQXIYVOJOBKX-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3n2)C[C@H]1F ZINC001144168683 972664695 /nfs/dbraw/zinc/66/46/95/972664695.db2.gz HYCDSNXLKJAYRE-VXGBXAGGSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3n2)C[C@H]1F ZINC001144168683 972664701 /nfs/dbraw/zinc/66/47/01/972664701.db2.gz HYCDSNXLKJAYRE-VXGBXAGGSA-N 1 2 249.289 1.468 20 0 BDADLO c1cc2ccc(C[N@@H+]3CCOCC34CC4)nc2[nH]1 ZINC001144187095 972677518 /nfs/dbraw/zinc/67/75/18/972677518.db2.gz ADPDWKRWRAAKAM-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1cc2ccc(C[N@H+]3CCOCC34CC4)nc2[nH]1 ZINC001144187095 972677537 /nfs/dbraw/zinc/67/75/37/972677537.db2.gz ADPDWKRWRAAKAM-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1cc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)nc2[nH]1 ZINC001144186805 972677855 /nfs/dbraw/zinc/67/78/55/972677855.db2.gz JAIRZDXVECMSAL-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO c1cc2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)nc2[nH]1 ZINC001144186805 972677863 /nfs/dbraw/zinc/67/78/63/972677863.db2.gz JAIRZDXVECMSAL-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO Oc1ccc(C[N@@H+]2CCCCC23COC3)nc1 ZINC001144259891 972710478 /nfs/dbraw/zinc/71/04/78/972710478.db2.gz YKSXNNABMMFFIS-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO Oc1ccc(C[N@H+]2CCCCC23COC3)nc1 ZINC001144259891 972710493 /nfs/dbraw/zinc/71/04/93/972710493.db2.gz YKSXNNABMMFFIS-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)nc1 ZINC001144255405 972722079 /nfs/dbraw/zinc/72/20/79/972722079.db2.gz DCWZZZOTLDQSHX-KPXOXKRLSA-N 1 2 222.263 1.577 20 0 BDADLO Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)nc1 ZINC001144255405 972722089 /nfs/dbraw/zinc/72/20/89/972722089.db2.gz DCWZZZOTLDQSHX-KPXOXKRLSA-N 1 2 222.263 1.577 20 0 BDADLO CCCO[C@H]1CCC[N@H+](Cc2nnc[nH]2)CC1 ZINC001327870334 972775564 /nfs/dbraw/zinc/77/55/64/972775564.db2.gz HAIGDHVGGDDGBU-NSHDSACASA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@H]1CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001327870334 972775572 /nfs/dbraw/zinc/77/55/72/972775572.db2.gz HAIGDHVGGDDGBU-NSHDSACASA-N 1 2 238.335 1.586 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCCF ZINC000845474104 972822908 /nfs/dbraw/zinc/82/29/08/972822908.db2.gz LYJMIRCJWXITEQ-UHFFFAOYSA-N 1 2 226.251 1.275 20 0 BDADLO C[C@@]1(CO)CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144614856 972891028 /nfs/dbraw/zinc/89/10/28/972891028.db2.gz AUGGHGYZROIUKW-CQSZACIVSA-N 1 2 245.326 1.539 20 0 BDADLO Cc1cc(CO[C@@H]2COC[C@H]2F)cc(C)[nH+]1 ZINC001223422622 973061054 /nfs/dbraw/zinc/06/10/54/973061054.db2.gz YAUXHYYEUKNCCI-VXGBXAGGSA-N 1 2 225.263 1.952 20 0 BDADLO CCCN(CCC)C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001160855687 973081002 /nfs/dbraw/zinc/08/10/02/973081002.db2.gz ADNBUKNMVCBHFI-NSHDSACASA-N 1 2 239.319 1.065 20 0 BDADLO CCOC(=O)[C@@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001223622062 973194459 /nfs/dbraw/zinc/19/44/59/973194459.db2.gz PSBZKQKDTRMBGE-ZDUSSCGKSA-N 1 2 249.310 1.621 20 0 BDADLO CC[NH+]1CC(OCC(=O)OCc2ccccc2)C1 ZINC001224327461 973557960 /nfs/dbraw/zinc/55/79/60/973557960.db2.gz POAHBYQEFFANNR-UHFFFAOYSA-N 1 2 249.310 1.451 20 0 BDADLO Cc1csc(C(=O)NCc2c[nH+]cn2C)n1 ZINC001329273496 973626505 /nfs/dbraw/zinc/62/65/05/973626505.db2.gz MFRXYCZQBUDLTK-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO COc1ccc(OCCOC2C[NH+](C)C2)cc1 ZINC001224416977 973636075 /nfs/dbraw/zinc/63/60/75/973636075.db2.gz ZJVINAPLGLWOMJ-UHFFFAOYSA-N 1 2 237.299 1.405 20 0 BDADLO CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001329374043 973711630 /nfs/dbraw/zinc/71/16/30/973711630.db2.gz ZHOQOFWQCXZAGU-WPRPVWTQSA-N 1 2 239.319 1.500 20 0 BDADLO CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001329374043 973711641 /nfs/dbraw/zinc/71/16/41/973711641.db2.gz ZHOQOFWQCXZAGU-WPRPVWTQSA-N 1 2 239.319 1.500 20 0 BDADLO CC(=O)OCCOC1C[NH+](Cc2ccccc2)C1 ZINC001224575069 973782980 /nfs/dbraw/zinc/78/29/80/973782980.db2.gz MPMDIFPJONILTR-UHFFFAOYSA-N 1 2 249.310 1.451 20 0 BDADLO CC[C@H]1C[N@H+](CN2C(=O)CC2(C)C)[C@@H](C)CO1 ZINC001329603595 973848303 /nfs/dbraw/zinc/84/83/03/973848303.db2.gz JABBRLPGTGXBEB-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@H]1C[N@@H+](CN2C(=O)CC2(C)C)[C@@H](C)CO1 ZINC001329603595 973848307 /nfs/dbraw/zinc/84/83/07/973848307.db2.gz JABBRLPGTGXBEB-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO CC(C)(C(=O)N1CC[C@]12CCOC2)c1c[nH+]c[nH]1 ZINC001329624212 973856965 /nfs/dbraw/zinc/85/69/65/973856965.db2.gz MEFIYWJBVMMTSL-CYBMUJFWSA-N 1 2 249.314 1.079 20 0 BDADLO C[C@H](C(=O)NC1(C2CCC2)CC1)n1cc[nH+]c1 ZINC001329746815 973906600 /nfs/dbraw/zinc/90/66/00/973906600.db2.gz WBDMCNYORIYPHO-SNVBAGLBSA-N 1 2 233.315 1.893 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC001329857498 973976334 /nfs/dbraw/zinc/97/63/34/973976334.db2.gz LYWMZBVCYVEVFN-LNFKQOIKSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC001329857498 973976348 /nfs/dbraw/zinc/97/63/48/973976348.db2.gz LYWMZBVCYVEVFN-LNFKQOIKSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ncn[nH]1 ZINC001329892087 974010412 /nfs/dbraw/zinc/01/04/12/974010412.db2.gz MUZFUVCWBCYBHM-GXSJLCMTSA-N 1 2 208.309 1.863 20 0 BDADLO Cc1nc(NCCNC(=O)CC2CC2)cc[nH+]1 ZINC001093453539 974020191 /nfs/dbraw/zinc/02/01/91/974020191.db2.gz NJTWBHWEWVXELP-UHFFFAOYSA-N 1 2 234.303 1.113 20 0 BDADLO Cc1nc(NCCNC(=O)C(C)(C)F)cc[nH+]1 ZINC001093486403 974024619 /nfs/dbraw/zinc/02/46/19/974024619.db2.gz SHDVHUNXQSLBOJ-UHFFFAOYSA-N 1 2 240.282 1.061 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC001329937688 974037141 /nfs/dbraw/zinc/03/71/41/974037141.db2.gz AURUHZWYYDCLPF-CMPLNLGQSA-N 1 2 243.314 1.777 20 0 BDADLO CCC1(C(=O)NCCNc2cc[nH+]c(C)n2)CC1 ZINC001094102551 974050499 /nfs/dbraw/zinc/05/04/99/974050499.db2.gz WTUKIAQNAGZGPY-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@@H]1COCO1 ZINC001224964082 974106762 /nfs/dbraw/zinc/10/67/62/974106762.db2.gz SUFNKWIKLFVQKA-SNVBAGLBSA-N 1 2 231.292 1.560 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2c(F)cccc2F)C1 ZINC001225205931 974229554 /nfs/dbraw/zinc/22/95/54/974229554.db2.gz GYMVYBZMBCLXQH-VIFPVBQESA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@H](COc2c(F)cccc2F)C1 ZINC001225205931 974229576 /nfs/dbraw/zinc/22/95/76/974229576.db2.gz GYMVYBZMBCLXQH-VIFPVBQESA-N 1 2 243.253 1.674 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cncc(Cl)c2)C1 ZINC001225289351 974362710 /nfs/dbraw/zinc/36/27/10/974362710.db2.gz JBOYWUKDSASSLE-LLVKDONJSA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cncc(Cl)c2)C1 ZINC001225289351 974362719 /nfs/dbraw/zinc/36/27/19/974362719.db2.gz JBOYWUKDSASSLE-LLVKDONJSA-N 1 2 242.706 1.444 20 0 BDADLO C[C@H](O)CCCC(=O)Oc1cc[nH+]cc1 ZINC001225291755 974364518 /nfs/dbraw/zinc/36/45/18/974364518.db2.gz YDLHGUWAIWOZGB-VIFPVBQESA-N 1 2 209.245 1.538 20 0 BDADLO CC(=O)C1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001330676480 974407252 /nfs/dbraw/zinc/40/72/52/974407252.db2.gz PUGORTNXVMKCDR-QMMMGPOBSA-N 1 2 237.303 1.740 20 0 BDADLO CC1(F)C[NH+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172163392 974422557 /nfs/dbraw/zinc/42/25/57/974422557.db2.gz PEVNBELUEIKELC-ZJUUUORDSA-N 1 2 226.295 1.184 20 0 BDADLO Cc1ccnc(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001225353286 974438410 /nfs/dbraw/zinc/43/84/10/974438410.db2.gz YJSVRYHUQWNWSS-LLVKDONJSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1ccnc(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001225353286 974438413 /nfs/dbraw/zinc/43/84/13/974438413.db2.gz YJSVRYHUQWNWSS-LLVKDONJSA-N 1 2 222.288 1.099 20 0 BDADLO CS[C@@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001330789594 974472015 /nfs/dbraw/zinc/47/20/15/974472015.db2.gz NCBGVPSNWBJQTC-VHSXEESVSA-N 1 2 239.344 1.408 20 0 BDADLO O=C(NC/C=C\C1CC1)NCCCn1cc[nH+]c1 ZINC001330829397 974491217 /nfs/dbraw/zinc/49/12/17/974491217.db2.gz MCMRMPGBSZKSFY-IWQZZHSRSA-N 1 2 248.330 1.539 20 0 BDADLO FC1(F)COCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172241180 974506788 /nfs/dbraw/zinc/50/67/88/974506788.db2.gz YKIVRTYOUAMGGT-FGWVZKOKSA-N 1 2 245.269 1.440 20 0 BDADLO FC1(F)COCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172241180 974506794 /nfs/dbraw/zinc/50/67/94/974506794.db2.gz YKIVRTYOUAMGGT-FGWVZKOKSA-N 1 2 245.269 1.440 20 0 BDADLO CC[NH+]1CC(Oc2ccc(Cl)nc2)C1 ZINC001225594842 974584438 /nfs/dbraw/zinc/58/44/38/974584438.db2.gz CNMMADXRFJTJSL-UHFFFAOYSA-N 1 2 212.680 1.818 20 0 BDADLO C[C@H](C(=O)N1CC[C@H](CF)C1)n1cc[nH+]c1 ZINC001331259032 974663466 /nfs/dbraw/zinc/66/34/66/974663466.db2.gz WPGRQDDDDBJOTF-NXEZZACHSA-N 1 2 225.267 1.262 20 0 BDADLO C[C@H](C(=O)NCC1CC(C)C1)n1cc[nH+]c1 ZINC001331414802 974710835 /nfs/dbraw/zinc/71/08/35/974710835.db2.gz BSDDSHWBVPYXLO-HSOILSAZSA-N 1 2 221.304 1.606 20 0 BDADLO CCn1nncc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC001331535374 974752900 /nfs/dbraw/zinc/75/29/00/974752900.db2.gz YLJUZNMPOKDCQU-GXSJLCMTSA-N 1 2 246.318 1.290 20 0 BDADLO CCn1nncc1C[NH2+]Cc1nccs1 ZINC001331675844 974787815 /nfs/dbraw/zinc/78/78/15/974787815.db2.gz LEIZAYGCXBTTDE-UHFFFAOYSA-N 1 2 223.305 1.044 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1cn[nH]c1 ZINC001331684715 974788533 /nfs/dbraw/zinc/78/85/33/974788533.db2.gz RTSWXIKMRURAMO-UHFFFAOYSA-N 1 2 233.275 1.049 20 0 BDADLO CCCn1cc(C[NH2+]C(C)(C)CF)nn1 ZINC001331893020 974852264 /nfs/dbraw/zinc/85/22/64/974852264.db2.gz SHEHBNAHYAYSEA-UHFFFAOYSA-N 1 2 214.288 1.526 20 0 BDADLO Cn1nccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001226396236 974877461 /nfs/dbraw/zinc/87/74/61/974877461.db2.gz AZGDSECMLPSFHE-UHFFFAOYSA-N 1 2 243.310 1.683 20 0 BDADLO CC[N@@H+]1CC[C@@H](Oc2nc(C)[nH]c(=O)c2F)C1 ZINC001226422783 974892575 /nfs/dbraw/zinc/89/25/75/974892575.db2.gz YSAVUCIFHRINGI-MRVPVSSYSA-N 1 2 241.266 1.103 20 0 BDADLO CC[N@H+]1CC[C@@H](Oc2nc(C)[nH]c(=O)c2F)C1 ZINC001226422783 974892578 /nfs/dbraw/zinc/89/25/78/974892578.db2.gz YSAVUCIFHRINGI-MRVPVSSYSA-N 1 2 241.266 1.103 20 0 BDADLO CC1(C)CC([NH+]2CC(F)(CO)C2)CC(C)(C)O1 ZINC001172654998 974898669 /nfs/dbraw/zinc/89/86/69/974898669.db2.gz OGMOGKGFZKMHTN-UHFFFAOYSA-N 1 2 245.338 1.739 20 0 BDADLO C[NH+]1CC(Oc2ccc3cnccc3c2)C1 ZINC001226575019 974962601 /nfs/dbraw/zinc/96/26/01/974962601.db2.gz VADLXSGROYIUSE-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO CO[C@H]1CCC[C@@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001172931670 974982437 /nfs/dbraw/zinc/98/24/37/974982437.db2.gz PHLZYPKJBJTFLF-MNOVXSKESA-N 1 2 248.317 1.485 20 0 BDADLO CO[C@H]1CCC[C@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001172931671 974984267 /nfs/dbraw/zinc/98/42/67/974984267.db2.gz PHLZYPKJBJTFLF-QWRGUYRKSA-N 1 2 248.317 1.485 20 0 BDADLO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001332171575 974989947 /nfs/dbraw/zinc/98/99/47/974989947.db2.gz VUUUWXOEYSZHCK-LMLFDSFASA-N 1 2 249.314 1.054 20 0 BDADLO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001332171575 974989957 /nfs/dbraw/zinc/98/99/57/974989957.db2.gz VUUUWXOEYSZHCK-LMLFDSFASA-N 1 2 249.314 1.054 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001172941813 974997151 /nfs/dbraw/zinc/99/71/51/974997151.db2.gz GYDDHPQJCQIMLT-HBNTYKKESA-N 1 2 249.301 1.646 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001172941813 974997157 /nfs/dbraw/zinc/99/71/57/974997157.db2.gz GYDDHPQJCQIMLT-HBNTYKKESA-N 1 2 249.301 1.646 20 0 BDADLO CN(C)C1C[NH+]([C@@H]2CCc3ncsc3C2)C1 ZINC001173128480 975038259 /nfs/dbraw/zinc/03/82/59/975038259.db2.gz DMNUIGVUQGXGIP-SECBINFHSA-N 1 2 237.372 1.246 20 0 BDADLO CCc1ccc(C[C@H](C)[NH2+]CC(=O)OC)cc1 ZINC001173235171 975077453 /nfs/dbraw/zinc/07/74/53/975077453.db2.gz KDZZOLZECVZFDO-NSHDSACASA-N 1 2 235.327 1.943 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001332381264 975083146 /nfs/dbraw/zinc/08/31/46/975083146.db2.gz ZFOMVULBUWWWDX-NWDGAFQWSA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccnc(F)c2)C1 ZINC001226788172 975084538 /nfs/dbraw/zinc/08/45/38/975084538.db2.gz IKIQUSKCCKYFPG-UHFFFAOYSA-N 1 2 210.252 1.692 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@H](CC)C1)[C@@H](C)O ZINC001173264387 975126052 /nfs/dbraw/zinc/12/60/52/975126052.db2.gz SDLJVTYTCVEXDR-WRWGMCAJSA-N 1 2 243.347 1.467 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CC[C@H](CC)C1 ZINC001173265920 975127826 /nfs/dbraw/zinc/12/78/26/975127826.db2.gz WFXNWVMHIOCVGW-DCAQKATOSA-N 1 2 229.320 1.079 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3[nH]cnc3c2)C1 ZINC001226927788 975153660 /nfs/dbraw/zinc/15/36/60/975153660.db2.gz AYUJPDAHPWEZPW-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3[nH]cnc3c2)C1 ZINC001226927788 975153663 /nfs/dbraw/zinc/15/36/63/975153663.db2.gz AYUJPDAHPWEZPW-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO CC[C@@H]1CC[C@H]([NH2+][C@]2(C(=O)OC)CCOC2)C1 ZINC001173274340 975154606 /nfs/dbraw/zinc/15/46/06/975154606.db2.gz INGIZBVGXVRCKU-NTZNESFSSA-N 1 2 241.331 1.487 20 0 BDADLO CCSC[C@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001173300391 975197718 /nfs/dbraw/zinc/19/77/18/975197718.db2.gz LIAVTTBTKLGIHE-VIFPVBQESA-N 1 2 223.345 1.934 20 0 BDADLO CCSC[C@H](C)[N@H+]1Cc2cncnc2C1 ZINC001173300391 975197720 /nfs/dbraw/zinc/19/77/20/975197720.db2.gz LIAVTTBTKLGIHE-VIFPVBQESA-N 1 2 223.345 1.934 20 0 BDADLO CCN1CC(Oc2c(C)cc[nH+]c2C)C1 ZINC001227259225 975335281 /nfs/dbraw/zinc/33/52/81/975335281.db2.gz FWRKMCUOFLSPSC-UHFFFAOYSA-N 1 2 206.289 1.781 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@H]1CCS(=O)(=O)C1 ZINC001227265589 975344966 /nfs/dbraw/zinc/34/49/66/975344966.db2.gz UOZCACWLYSAEIU-JTQLQIEISA-N 1 2 241.312 1.264 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)N(C)C[C@H]2C)c1 ZINC001332967516 975347655 /nfs/dbraw/zinc/34/76/55/975347655.db2.gz IMRFCLXRRICBPQ-GFCCVEGCSA-N 1 2 247.342 1.361 20 0 BDADLO CC[N@H+](Cc1cn(C)cn1)Cc1ccncc1 ZINC001206199351 975365024 /nfs/dbraw/zinc/36/50/24/975365024.db2.gz URMQHRRJZLCOSG-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cn(C)cn1)Cc1ccncc1 ZINC001206199351 975365032 /nfs/dbraw/zinc/36/50/32/975365032.db2.gz URMQHRRJZLCOSG-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO O=C1C[N@H+](Cc2cccn2C2CC2)CCCN1 ZINC001333000888 975366110 /nfs/dbraw/zinc/36/61/10/975366110.db2.gz QKHOZTYBVYOKNR-UHFFFAOYSA-N 1 2 233.315 1.145 20 0 BDADLO O=C1C[N@@H+](Cc2cccn2C2CC2)CCCN1 ZINC001333000888 975366116 /nfs/dbraw/zinc/36/61/16/975366116.db2.gz QKHOZTYBVYOKNR-UHFFFAOYSA-N 1 2 233.315 1.145 20 0 BDADLO CC(=O)Oc1cccc(OC2C[NH+](C)C2)c1 ZINC001227564068 975544577 /nfs/dbraw/zinc/54/45/77/975544577.db2.gz GMLLFHARBCRCBY-UHFFFAOYSA-N 1 2 221.256 1.305 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ncnn1C ZINC001333320896 975653906 /nfs/dbraw/zinc/65/39/06/975653906.db2.gz GOLHLNNYXPALLR-UWVGGRQHSA-N 1 2 246.318 1.197 20 0 BDADLO CC[NH+]1CC(Oc2nc3cc[nH]cc-3n2)C1 ZINC001227867388 975747528 /nfs/dbraw/zinc/74/75/28/975747528.db2.gz XRMVAJSWCFQLPX-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO CC[NH+]1CC(Oc2cnc(F)c(Cl)c2)C1 ZINC001227963569 975816009 /nfs/dbraw/zinc/81/60/09/975816009.db2.gz GKPSDRKBVGTKBT-UHFFFAOYSA-N 1 2 230.670 1.957 20 0 BDADLO FCCn1cc(C[NH2+][C@H]2CCn3ccnc32)cn1 ZINC001333504056 975820135 /nfs/dbraw/zinc/82/01/35/975820135.db2.gz HDTQJWWGMODBEP-NSHDSACASA-N 1 2 249.293 1.284 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc(CO)on1 ZINC001333597252 975877940 /nfs/dbraw/zinc/87/79/40/975877940.db2.gz NRTRNZOPRRPHAD-DTWKUNHWSA-N 1 2 235.287 1.907 20 0 BDADLO Cc1ccc(O)cc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001228068844 975888696 /nfs/dbraw/zinc/88/86/96/975888696.db2.gz PYBBLQRTSCNSRM-LBPRGKRZSA-N 1 2 237.299 1.410 20 0 BDADLO Cc1ccc(O)cc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001228068844 975888700 /nfs/dbraw/zinc/88/87/00/975888700.db2.gz PYBBLQRTSCNSRM-LBPRGKRZSA-N 1 2 237.299 1.410 20 0 BDADLO CCN(C[C@H]1CCOC1)c1cc(NC)[nH+]cn1 ZINC001333680177 975985014 /nfs/dbraw/zinc/98/50/14/975985014.db2.gz MINKMMAWZVFNJK-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CCN(C[C@H]1CCOC1)c1cc(NC)nc[nH+]1 ZINC001333680177 975985041 /nfs/dbraw/zinc/98/50/41/975985041.db2.gz MINKMMAWZVFNJK-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO Cc1nnc([C@H](C)NC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001333691778 975993197 /nfs/dbraw/zinc/99/31/97/975993197.db2.gz XEEMIDVWFWCWGE-YUMQZZPRSA-N 1 2 249.274 1.013 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@H](F)C2)nc[nH+]1 ZINC001333699823 976008343 /nfs/dbraw/zinc/00/83/43/976008343.db2.gz VQGLJIRTSFIPRE-RKDXNWHRSA-N 1 2 224.283 1.703 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@H](F)C2)[nH+]cn1 ZINC001333699823 976008359 /nfs/dbraw/zinc/00/83/59/976008359.db2.gz VQGLJIRTSFIPRE-RKDXNWHRSA-N 1 2 224.283 1.703 20 0 BDADLO CC[NH+]1CC(Oc2ccccc2C(=O)N(C)C)C1 ZINC001228339587 976133355 /nfs/dbraw/zinc/13/33/55/976133355.db2.gz CYOCPTWFHNXXLH-UHFFFAOYSA-N 1 2 248.326 1.471 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC001333984744 976199174 /nfs/dbraw/zinc/19/91/74/976199174.db2.gz QKYRTXPZZPPWFQ-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1F ZINC001334199345 976369384 /nfs/dbraw/zinc/36/93/84/976369384.db2.gz XOOQYFDIWWJOTJ-VHSXEESVSA-N 1 2 234.278 1.914 20 0 BDADLO CC(=O)C1(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001334204352 976370959 /nfs/dbraw/zinc/37/09/59/976370959.db2.gz ZKNLSKXTTTVKHI-UHFFFAOYSA-N 1 2 246.310 1.858 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnn3c2CCC3)[nH]1 ZINC001334374794 976474409 /nfs/dbraw/zinc/47/44/09/976474409.db2.gz MRKJJRMNNWDKPG-QMMMGPOBSA-N 1 2 246.318 1.107 20 0 BDADLO CC(C)[NH+]1CC(Oc2ncc(F)cn2)C1 ZINC001228846695 976524260 /nfs/dbraw/zinc/52/42/60/976524260.db2.gz MZIFZAGPTNIGDE-UHFFFAOYSA-N 1 2 211.240 1.087 20 0 BDADLO CC[NH+]1CC(Oc2cnc(SC)nc2)C1 ZINC001228855392 976538102 /nfs/dbraw/zinc/53/81/02/976538102.db2.gz HANTVJZJDHTEIW-UHFFFAOYSA-N 1 2 225.317 1.281 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001334740180 976610910 /nfs/dbraw/zinc/61/09/10/976610910.db2.gz WVUFHKIIXDPMJF-MRVPVSSYSA-N 1 2 209.249 1.016 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001334740180 976610915 /nfs/dbraw/zinc/61/09/15/976610915.db2.gz WVUFHKIIXDPMJF-MRVPVSSYSA-N 1 2 209.249 1.016 20 0 BDADLO COc1cc[nH+]cc1Nc1cncnc1 ZINC001174383444 976617591 /nfs/dbraw/zinc/61/75/91/976617591.db2.gz YCIGYMMVZVGVGP-UHFFFAOYSA-N 1 2 202.217 1.624 20 0 BDADLO C[C@H](C(=O)NC[C@]1(C)CC1(F)F)n1cc[nH+]c1 ZINC001334783181 976657167 /nfs/dbraw/zinc/65/71/67/976657167.db2.gz SLJIHYXTPJWSQR-SCZZXKLOSA-N 1 2 243.257 1.606 20 0 BDADLO COc1cc[nH+]cc1Nc1c[nH]nc1C ZINC001174470984 976775196 /nfs/dbraw/zinc/77/51/96/976775196.db2.gz YVMZGDZDRCNACJ-UHFFFAOYSA-N 1 2 204.233 1.865 20 0 BDADLO CCc1cc(N2CC(O)(C(C)C)C2)nc(CC)[nH+]1 ZINC001334983354 976816512 /nfs/dbraw/zinc/81/65/12/976816512.db2.gz BBBLDGZXWCFPSG-UHFFFAOYSA-N 1 2 249.358 1.809 20 0 BDADLO Cc1c[nH+]ccc1Nc1c[nH]ccc1=O ZINC001174537415 976821688 /nfs/dbraw/zinc/82/16/88/976821688.db2.gz FNZCAZIHKONBLL-UHFFFAOYSA-N 1 2 201.229 1.244 20 0 BDADLO COCCn1cc(Nc2cc(OC)cc[nH+]2)cn1 ZINC001174548721 976852191 /nfs/dbraw/zinc/85/21/91/976852191.db2.gz GQVNZDXOVLOEGK-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO COc1cccc2c1ccnc2OC1C[NH+](C)C1 ZINC001229557817 976898839 /nfs/dbraw/zinc/89/88/39/976898839.db2.gz LXCPMHDHBOHISO-UHFFFAOYSA-N 1 2 244.294 1.936 20 0 BDADLO Cc1cc(Nc2[nH]c(=O)[nH]c(=O)c2N=O)cc[nH+]1 ZINC001174653491 976938885 /nfs/dbraw/zinc/93/88/85/976938885.db2.gz QIKYYSFFSSNZMU-UHFFFAOYSA-N 1 2 247.214 1.155 20 0 BDADLO CCn1nc(C)cc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001335364180 977000687 /nfs/dbraw/zinc/00/06/87/977000687.db2.gz NCTXBJVQIMBHPT-JTQLQIEISA-N 1 2 247.302 1.608 20 0 BDADLO CC[C@H](O)C(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229951789 977034936 /nfs/dbraw/zinc/03/49/36/977034936.db2.gz WECIRMJJOGBYBJ-LBPRGKRZSA-N 1 2 246.266 1.549 20 0 BDADLO CC(C)=CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230675650 977293470 /nfs/dbraw/zinc/29/34/70/977293470.db2.gz IXHNJQAWVDHSCC-LLVKDONJSA-N 1 2 228.311 1.455 20 0 BDADLO CC(C)=CC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230675650 977293488 /nfs/dbraw/zinc/29/34/88/977293488.db2.gz IXHNJQAWVDHSCC-LLVKDONJSA-N 1 2 228.311 1.455 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc[nH+]cc2F)on1 ZINC001175196518 977294784 /nfs/dbraw/zinc/29/47/84/977294784.db2.gz FFLIXGWNOYYKTN-MRVPVSSYSA-N 1 2 235.262 1.982 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2nccc3[nH]ccc32)C1 ZINC001230688879 977298066 /nfs/dbraw/zinc/29/80/66/977298066.db2.gz OYRGYMSQAVGSRS-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2nccc3[nH]ccc32)C1 ZINC001230688879 977298083 /nfs/dbraw/zinc/29/80/83/977298083.db2.gz OYRGYMSQAVGSRS-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO CC(C)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001230801853 977336843 /nfs/dbraw/zinc/33/68/43/977336843.db2.gz BGFOKUIWTSRGNC-VLWUPBBWSA-N 1 2 244.766 1.928 20 0 BDADLO CC(C)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001230801853 977336837 /nfs/dbraw/zinc/33/68/37/977336837.db2.gz BGFOKUIWTSRGNC-VLWUPBBWSA-N 1 2 244.766 1.928 20 0 BDADLO Oc1cc2c(cc1OC[C@@H]1CCO1)CC[NH+]=C2 ZINC001230919976 977383322 /nfs/dbraw/zinc/38/33/22/977383322.db2.gz IAMAZWQXKUPMLU-NSHDSACASA-N 1 2 233.267 1.535 20 0 BDADLO CO[C@H](C)COc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920828 977384073 /nfs/dbraw/zinc/38/40/73/977384073.db2.gz VMIKGRUGYMAVOV-SECBINFHSA-N 1 2 235.283 1.781 20 0 BDADLO COc1ccc(OC2C[NH+](C)C2)cc1C ZINC001230928689 977388574 /nfs/dbraw/zinc/38/85/74/977388574.db2.gz SSHOTFXZMLTIGW-UHFFFAOYSA-N 1 2 207.273 1.696 20 0 BDADLO CON(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001335992024 977408477 /nfs/dbraw/zinc/40/84/77/977408477.db2.gz YKGGMNJEBVEWKC-RKDXNWHRSA-N 1 2 223.276 1.312 20 0 BDADLO CON(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001335992024 977408483 /nfs/dbraw/zinc/40/84/83/977408483.db2.gz YKGGMNJEBVEWKC-RKDXNWHRSA-N 1 2 223.276 1.312 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC001336051365 977465659 /nfs/dbraw/zinc/46/56/59/977465659.db2.gz PCFRXZIHNGIBQF-DTWKUNHWSA-N 1 2 205.261 1.541 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CC[C@H]2C[C@H]21 ZINC001336051365 977465679 /nfs/dbraw/zinc/46/56/79/977465679.db2.gz PCFRXZIHNGIBQF-DTWKUNHWSA-N 1 2 205.261 1.541 20 0 BDADLO CN(c1cccc(CO)c1)c1[nH+]cccc1N ZINC001175506893 977479419 /nfs/dbraw/zinc/47/94/19/977479419.db2.gz IOCHJZDUJZMBIX-UHFFFAOYSA-N 1 2 229.283 1.924 20 0 BDADLO C[N@@H+]1CCC=C(Nc2cnc(Cl)cn2)C1 ZINC001175574125 977569054 /nfs/dbraw/zinc/56/90/54/977569054.db2.gz MQLPEQSPZGQPGK-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCC=C(Nc2cnc(Cl)cn2)C1 ZINC001175574125 977569060 /nfs/dbraw/zinc/56/90/60/977569060.db2.gz MQLPEQSPZGQPGK-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@@H+]1CCCC(=Nc2cnc(Cl)cn2)C1 ZINC001175574125 977569071 /nfs/dbraw/zinc/56/90/71/977569071.db2.gz MQLPEQSPZGQPGK-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCCC(=Nc2cnc(Cl)cn2)C1 ZINC001175574125 977569075 /nfs/dbraw/zinc/56/90/75/977569075.db2.gz MQLPEQSPZGQPGK-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO COC(=O)c1ccc(N=C2CCC[N@H+](C)C2)o1 ZINC001175575473 977577672 /nfs/dbraw/zinc/57/76/72/977577672.db2.gz WZZMLBRKVONSMT-UHFFFAOYSA-N 1 2 236.271 1.698 20 0 BDADLO COC(=O)c1ccc(N=C2CCC[N@@H+](C)C2)o1 ZINC001175575473 977577685 /nfs/dbraw/zinc/57/76/85/977577685.db2.gz WZZMLBRKVONSMT-UHFFFAOYSA-N 1 2 236.271 1.698 20 0 BDADLO CC[C@@H](F)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001336416019 977672056 /nfs/dbraw/zinc/67/20/56/977672056.db2.gz HLNFWJZFIULZGF-NXEZZACHSA-N 1 2 239.294 1.484 20 0 BDADLO Cc1nsc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001336423216 977672693 /nfs/dbraw/zinc/67/26/93/977672693.db2.gz GPFMYBQEPUGGNM-UHFFFAOYSA-N 1 2 223.305 1.799 20 0 BDADLO CCc1ccc(N2CCC[C@@H](CO)C2)[nH+]c1 ZINC001336439659 977684411 /nfs/dbraw/zinc/68/44/11/977684411.db2.gz QHDBSNFBBMLJOX-GFCCVEGCSA-N 1 2 220.316 1.853 20 0 BDADLO COCc1ccc(C[N@H+](C)Cc2ccncn2)o1 ZINC001231694136 977693295 /nfs/dbraw/zinc/69/32/95/977693295.db2.gz NRWWNTQZBIYWKG-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO COCc1ccc(C[N@@H+](C)Cc2ccncn2)o1 ZINC001231694136 977693306 /nfs/dbraw/zinc/69/33/06/977693306.db2.gz NRWWNTQZBIYWKG-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)C2)cc(C)n1 ZINC001232001241 977835283 /nfs/dbraw/zinc/83/52/83/977835283.db2.gz OMRXZBPDZOYZSE-CYBMUJFWSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@H](C)C2)cc(C)n1 ZINC001232001241 977835288 /nfs/dbraw/zinc/83/52/88/977835288.db2.gz OMRXZBPDZOYZSE-CYBMUJFWSA-N 1 2 233.359 1.834 20 0 BDADLO O=c1ccc(C[N@@H+]2CCc3cnccc3C2)n[nH]1 ZINC001232020173 977843724 /nfs/dbraw/zinc/84/37/24/977843724.db2.gz CZSUBSIXOUCLGM-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO O=c1ccc(C[N@H+]2CCc3cnccc3C2)n[nH]1 ZINC001232020173 977843730 /nfs/dbraw/zinc/84/37/30/977843730.db2.gz CZSUBSIXOUCLGM-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO CCc1ccc(N2CCC[C@@H](O)C2)[nH+]c1 ZINC001336680831 977848948 /nfs/dbraw/zinc/84/89/48/977848948.db2.gz DHBKCOAHNTXLHH-LLVKDONJSA-N 1 2 206.289 1.605 20 0 BDADLO CC1(C)[C@H]2[C@H](CCCN2c2cc(N)nc[nH+]2)[C@@H]1O ZINC001336691914 977860005 /nfs/dbraw/zinc/86/00/05/977860005.db2.gz HGWXQMUHWONTRW-AXTRIDKLSA-N 1 2 248.330 1.045 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2ccncc2[nH]1 ZINC001232091163 977890244 /nfs/dbraw/zinc/89/02/44/977890244.db2.gz SUNLNZMQUGRFGY-JQWIXIFHSA-N 1 2 249.289 1.468 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2ccncc2[nH]1 ZINC001232091163 977890246 /nfs/dbraw/zinc/89/02/46/977890246.db2.gz SUNLNZMQUGRFGY-JQWIXIFHSA-N 1 2 249.289 1.468 20 0 BDADLO Cc1cnnc(N2CCn3c[nH+]cc3C2)c1 ZINC001336762028 977931037 /nfs/dbraw/zinc/93/10/37/977931037.db2.gz YFFWNFDBATXGEW-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncsc2C)C1 ZINC001232205997 977934252 /nfs/dbraw/zinc/93/42/52/977934252.db2.gz ZUCTZLOIEBIUEU-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncsc2C)C1 ZINC001232205997 977934262 /nfs/dbraw/zinc/93/42/62/977934262.db2.gz ZUCTZLOIEBIUEU-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO COc1cc[nH+]cc1Nc1cnn(CCO)c1 ZINC001176118484 977944893 /nfs/dbraw/zinc/94/48/93/977944893.db2.gz LREBJZGDPPIWJY-UHFFFAOYSA-N 1 2 234.259 1.023 20 0 BDADLO COc1cc[nH+]cc1Nc1nc(C)ns1 ZINC001176119149 977949214 /nfs/dbraw/zinc/94/92/14/977949214.db2.gz LCJIKBGAKNRCMO-UHFFFAOYSA-N 1 2 222.273 1.994 20 0 BDADLO COc1cc[nH+]cc1-n1cc(N)c(C(C)=O)n1 ZINC001176121464 977950864 /nfs/dbraw/zinc/95/08/64/977950864.db2.gz JDFODBXHWWHFHI-UHFFFAOYSA-N 1 2 232.243 1.061 20 0 BDADLO Cc1cnc(C[NH2+]C[C@H](O)c2ccccn2)o1 ZINC001336782966 977955544 /nfs/dbraw/zinc/95/55/44/977955544.db2.gz CMBISVMRLAXXBV-NSHDSACASA-N 1 2 233.271 1.201 20 0 BDADLO CCc1cc(N[C@@H]2CC[C@H]2O)nc(CC)[nH+]1 ZINC001336806825 977975395 /nfs/dbraw/zinc/97/53/95/977975395.db2.gz ICLBFQSNRCVUNA-NXEZZACHSA-N 1 2 221.304 1.537 20 0 BDADLO COc1cc(C)c(C[N@H+](C)CCF)cn1 ZINC001232355033 978035105 /nfs/dbraw/zinc/03/51/05/978035105.db2.gz HKYCTKUQLVHYLR-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO COc1cc(C)c(C[N@@H+](C)CCF)cn1 ZINC001232355033 978035118 /nfs/dbraw/zinc/03/51/18/978035118.db2.gz HKYCTKUQLVHYLR-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429167 978068403 /nfs/dbraw/zinc/06/84/03/978068403.db2.gz GUZDINYEESAVJZ-AWEZNQCLSA-N 1 2 249.358 1.755 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429167 978068412 /nfs/dbraw/zinc/06/84/12/978068412.db2.gz GUZDINYEESAVJZ-AWEZNQCLSA-N 1 2 249.358 1.755 20 0 BDADLO COC(=O)[C@@H]1CCCCN1Cc1c[nH+]c(C)[nH]1 ZINC001232459229 978082675 /nfs/dbraw/zinc/08/26/75/978082675.db2.gz BFCOJXKXSRONKI-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@@H]1CCCCN1Cc1c[nH]c(C)[nH+]1 ZINC001232459229 978082690 /nfs/dbraw/zinc/08/26/90/978082690.db2.gz BFCOJXKXSRONKI-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO Cc1[nH]c(CN2CCc3cc(O)ccc3C2)c[nH+]1 ZINC001232460765 978100775 /nfs/dbraw/zinc/10/07/75/978100775.db2.gz XRIGRWPLPHTXBI-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1[nH]c(CN2CC(Oc3cccnc3)C2)c[nH+]1 ZINC001232461864 978101462 /nfs/dbraw/zinc/10/14/62/978101462.db2.gz GRSYDACVMWMGPO-UHFFFAOYSA-N 1 2 244.298 1.376 20 0 BDADLO Cc1[nH]cc(CN2CC(Oc3cccnc3)C2)[nH+]1 ZINC001232461864 978101475 /nfs/dbraw/zinc/10/14/75/978101475.db2.gz GRSYDACVMWMGPO-UHFFFAOYSA-N 1 2 244.298 1.376 20 0 BDADLO Cc1noc([C@@H]2CCCN2Cc2c[nH+]c(C)[nH]2)n1 ZINC001232465135 978110262 /nfs/dbraw/zinc/11/02/62/978110262.db2.gz VVYJBUOSCAMPOE-NSHDSACASA-N 1 2 247.302 1.747 20 0 BDADLO Cc1noc([C@@H]2CCCN2Cc2c[nH]c(C)[nH+]2)n1 ZINC001232465135 978110276 /nfs/dbraw/zinc/11/02/76/978110276.db2.gz VVYJBUOSCAMPOE-NSHDSACASA-N 1 2 247.302 1.747 20 0 BDADLO CCOC(=O)CN(CC)Cc1c[nH+]c(C)[nH]1 ZINC001232464433 978112562 /nfs/dbraw/zinc/11/25/62/978112562.db2.gz DSZIWXWBQSFSPD-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCOC(=O)CN(CC)Cc1c[nH]c(C)[nH+]1 ZINC001232464433 978112577 /nfs/dbraw/zinc/11/25/77/978112577.db2.gz DSZIWXWBQSFSPD-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO COC(=O)CC[N@H+](Cc1cnc(C)[nH]1)C1CC1 ZINC001232465661 978112687 /nfs/dbraw/zinc/11/26/87/978112687.db2.gz NOZSBIOJUXOVBY-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)CC[N@@H+](Cc1cnc(C)[nH]1)C1CC1 ZINC001232465661 978112704 /nfs/dbraw/zinc/11/27/04/978112704.db2.gz NOZSBIOJUXOVBY-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001337012018 978126310 /nfs/dbraw/zinc/12/63/10/978126310.db2.gz OCEWEJKSELYOSC-DTWKUNHWSA-N 1 2 213.256 1.136 20 0 BDADLO Fc1ccnc(C[N@@H+]2CCCOCC2)c1 ZINC001232490467 978143222 /nfs/dbraw/zinc/14/32/22/978143222.db2.gz KEFGSXBCGPDNNQ-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO Fc1ccnc(C[N@H+]2CCCOCC2)c1 ZINC001232490467 978143231 /nfs/dbraw/zinc/14/32/31/978143231.db2.gz KEFGSXBCGPDNNQ-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(C)n[nH]c1C ZINC000261109811 978145019 /nfs/dbraw/zinc/14/50/19/978145019.db2.gz CZSNEBHDDZVPCI-LLVKDONJSA-N 1 2 237.303 1.164 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1c(C)n[nH]c1C ZINC000261109811 978145022 /nfs/dbraw/zinc/14/50/22/978145022.db2.gz CZSNEBHDDZVPCI-LLVKDONJSA-N 1 2 237.303 1.164 20 0 BDADLO CCc1cnc(CN(C)c2cc(N)nc[nH+]2)s1 ZINC001337058340 978147282 /nfs/dbraw/zinc/14/72/82/978147282.db2.gz RAZUUQXNHVICMN-UHFFFAOYSA-N 1 2 249.343 1.714 20 0 BDADLO C[N@H+](CCF)Cc1cc(F)ccc1N ZINC001232512720 978158960 /nfs/dbraw/zinc/15/89/60/978158960.db2.gz JDHYRKABAJDJLV-UHFFFAOYSA-N 1 2 200.232 1.809 20 0 BDADLO C[N@@H+](CCF)Cc1cc(F)ccc1N ZINC001232512720 978158963 /nfs/dbraw/zinc/15/89/63/978158963.db2.gz JDHYRKABAJDJLV-UHFFFAOYSA-N 1 2 200.232 1.809 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccc(CF)n2)cn1 ZINC001232535839 978161387 /nfs/dbraw/zinc/16/13/87/978161387.db2.gz MZVDBGPSNLZCQJ-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccc(CF)n2)cn1 ZINC001232535839 978161395 /nfs/dbraw/zinc/16/13/95/978161395.db2.gz MZVDBGPSNLZCQJ-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO C[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CCC1=O ZINC001232547299 978172411 /nfs/dbraw/zinc/17/24/11/978172411.db2.gz RPOYBDBDCXFLCL-VIFPVBQESA-N 1 2 244.298 1.320 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CCC1=O ZINC001232547299 978172412 /nfs/dbraw/zinc/17/24/12/978172412.db2.gz RPOYBDBDCXFLCL-VIFPVBQESA-N 1 2 244.298 1.320 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2ccoc2cn1 ZINC001232548404 978173645 /nfs/dbraw/zinc/17/36/45/978173645.db2.gz BXEUNPWZNDAGFE-NSHDSACASA-N 1 2 245.282 1.278 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc2ccoc2cn1 ZINC001232548404 978173655 /nfs/dbraw/zinc/17/36/55/978173655.db2.gz BXEUNPWZNDAGFE-NSHDSACASA-N 1 2 245.282 1.278 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC[C@H]2C)[nH]c1C ZINC001176794168 978179090 /nfs/dbraw/zinc/17/90/90/978179090.db2.gz ZDUHGMBSORQYFH-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC[C@H]2C)[nH]c1C ZINC001176794168 978179098 /nfs/dbraw/zinc/17/90/98/978179098.db2.gz ZDUHGMBSORQYFH-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1ncc(CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001176826565 978190404 /nfs/dbraw/zinc/19/04/04/978190404.db2.gz VDAMXFSYWHCDOO-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO COC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001176831815 978198628 /nfs/dbraw/zinc/19/86/28/978198628.db2.gz YSZPAOJMAKRJRL-FOSCPWQOSA-N 1 2 249.314 1.121 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cncc3cnccc32)C[C@@H]1F ZINC001232649105 978212930 /nfs/dbraw/zinc/21/29/30/978212930.db2.gz DTEZVKWNBHVYON-QWHCGFSZSA-N 1 2 247.273 1.144 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cncc3cnccc32)C[C@@H]1F ZINC001232649105 978212940 /nfs/dbraw/zinc/21/29/40/978212940.db2.gz DTEZVKWNBHVYON-QWHCGFSZSA-N 1 2 247.273 1.144 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1c[nH]c2ncncc12 ZINC001232654776 978213615 /nfs/dbraw/zinc/21/36/15/978213615.db2.gz PSEIVFXRSAMHRR-VIFPVBQESA-N 1 2 244.298 1.463 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1c[nH]c2ncncc12 ZINC001232654776 978213622 /nfs/dbraw/zinc/21/36/22/978213622.db2.gz PSEIVFXRSAMHRR-VIFPVBQESA-N 1 2 244.298 1.463 20 0 BDADLO CCc1ccc(N2C[C@H](O)C[C@@H]2COC)[nH+]c1 ZINC001337204111 978213530 /nfs/dbraw/zinc/21/35/30/978213530.db2.gz ZUXMZMPVGDNASI-VXGBXAGGSA-N 1 2 236.315 1.230 20 0 BDADLO CCc1ccc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC001176873269 978221302 /nfs/dbraw/zinc/22/13/02/978221302.db2.gz FEOYGLUFOWPDEN-UHFFFAOYSA-N 1 2 244.298 1.869 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC001232670800 978225876 /nfs/dbraw/zinc/22/58/76/978225876.db2.gz HLVZVELTSLWYRH-JTQLQIEISA-N 1 2 233.315 1.049 20 0 BDADLO CNc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC001232670800 978225890 /nfs/dbraw/zinc/22/58/90/978225890.db2.gz HLVZVELTSLWYRH-JTQLQIEISA-N 1 2 233.315 1.049 20 0 BDADLO CCCn1cnc(C[NH+]2CCSCC2)c1 ZINC001232796668 978285265 /nfs/dbraw/zinc/28/52/65/978285265.db2.gz BJEVSAQRIPTMTO-UHFFFAOYSA-N 1 2 225.361 1.842 20 0 BDADLO COc1cc(O)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001232801153 978290963 /nfs/dbraw/zinc/29/09/63/978290963.db2.gz DTDXLNZGPYHGLX-BETUJISGSA-N 1 2 249.310 1.764 20 0 BDADLO COc1cc(O)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001232801153 978290973 /nfs/dbraw/zinc/29/09/73/978290973.db2.gz DTDXLNZGPYHGLX-BETUJISGSA-N 1 2 249.310 1.764 20 0 BDADLO CCc1coc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001337342909 978297041 /nfs/dbraw/zinc/29/70/41/978297041.db2.gz WJQQODKXJIKIOE-UHFFFAOYSA-N 1 2 220.232 1.141 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC001232879114 978314902 /nfs/dbraw/zinc/31/49/02/978314902.db2.gz BKMAHPVVEIOAOW-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC001232879114 978314909 /nfs/dbraw/zinc/31/49/09/978314909.db2.gz BKMAHPVVEIOAOW-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO COC1(C)C[NH+](Cc2cc(C)cc(O)c2)C1 ZINC001232879593 978316330 /nfs/dbraw/zinc/31/63/30/978316330.db2.gz HROBHJBEUFCUIG-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO O=C1C[N@H+](Cc2ccc3ncoc3c2)CCCN1 ZINC001232938369 978351124 /nfs/dbraw/zinc/35/11/24/978351124.db2.gz USNHGHCULUSVIC-UHFFFAOYSA-N 1 2 245.282 1.150 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3ncoc3c2)CCCN1 ZINC001232938369 978351136 /nfs/dbraw/zinc/35/11/36/978351136.db2.gz USNHGHCULUSVIC-UHFFFAOYSA-N 1 2 245.282 1.150 20 0 BDADLO CCN(C(=O)Cc1ncccc1C)C1C[NH+](C)C1 ZINC001177456218 978355339 /nfs/dbraw/zinc/35/53/39/978355339.db2.gz SDDHUIXRSSCZHV-UHFFFAOYSA-N 1 2 247.342 1.095 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)Cc2ccoc2)[nH+]1 ZINC001597811422 978376127 /nfs/dbraw/zinc/37/61/27/978376127.db2.gz FSYSZBBDOREELK-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)Cc2ccoc2)c[nH+]1 ZINC001597811422 978376136 /nfs/dbraw/zinc/37/61/36/978376136.db2.gz FSYSZBBDOREELK-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C12CC(C1)C2 ZINC001337508753 978380982 /nfs/dbraw/zinc/38/09/82/978380982.db2.gz GJWMVBYDOLCFJI-UHFFFAOYSA-N 1 2 216.284 1.859 20 0 BDADLO Cc1cc(C)c(C[NH+]2CC(C)(O)C2)cn1 ZINC001233008521 978397880 /nfs/dbraw/zinc/39/78/80/978397880.db2.gz SBKDUNRKJFXFOV-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO CC[C@@H](C)OCC(=O)Nc1c(C)c[nH+]cc1C ZINC001337641640 978437580 /nfs/dbraw/zinc/43/75/80/978437580.db2.gz ZXAGKMWYAASOOG-LLVKDONJSA-N 1 2 236.315 1.874 20 0 BDADLO COCC1(CC(=O)Nc2c(C)c[nH+]cc2C)CC1 ZINC001337640605 978437749 /nfs/dbraw/zinc/43/77/49/978437749.db2.gz SLQXNRYXXQNGQE-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2nc3ccccn3n2)C1 ZINC001233069339 978452509 /nfs/dbraw/zinc/45/25/09/978452509.db2.gz RXSRCLPDQLTXDD-LLVKDONJSA-N 1 2 246.314 1.198 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2nc3ccccn3n2)C1 ZINC001233069339 978452515 /nfs/dbraw/zinc/45/25/15/978452515.db2.gz RXSRCLPDQLTXDD-LLVKDONJSA-N 1 2 246.314 1.198 20 0 BDADLO C[C@H](C(=O)NCC(C)(F)F)n1cc[nH+]c1 ZINC001177921700 978472757 /nfs/dbraw/zinc/47/27/57/978472757.db2.gz JQWUPSZEFQRQGF-SSDOTTSWSA-N 1 2 217.219 1.216 20 0 BDADLO Cc1cc(F)ncc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921602 978473910 /nfs/dbraw/zinc/47/39/10/978473910.db2.gz HOOULNYGNCRUIT-SECBINFHSA-N 1 2 248.261 1.925 20 0 BDADLO CCc1ccc(N(C)CC(=O)NC(C)(C)C)[nH+]c1 ZINC001337764875 978488185 /nfs/dbraw/zinc/48/81/85/978488185.db2.gz QRVLLIMGMAIKQO-UHFFFAOYSA-N 1 2 249.358 1.995 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccnc1F ZINC001177993710 978493722 /nfs/dbraw/zinc/49/37/22/978493722.db2.gz PIMHUIGXILUXPF-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO Cc1cnc(C)c(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001177990703 978494091 /nfs/dbraw/zinc/49/40/91/978494091.db2.gz ZRTGKEPLCLRUKE-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO Cc1cc(F)ncc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177992730 978495994 /nfs/dbraw/zinc/49/59/94/978495994.db2.gz CNUWGUTWPHFAED-UHFFFAOYSA-N 1 2 248.261 1.824 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)cc1O ZINC001233229881 978496823 /nfs/dbraw/zinc/49/68/23/978496823.db2.gz UHISHXHUHCGEHE-UHFFFAOYSA-N 1 2 234.299 1.023 20 0 BDADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)cc1O ZINC001233229881 978496830 /nfs/dbraw/zinc/49/68/30/978496830.db2.gz UHISHXHUHCGEHE-UHFFFAOYSA-N 1 2 234.299 1.023 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1O ZINC001233230121 978497700 /nfs/dbraw/zinc/49/77/00/978497700.db2.gz XSTOJSJGIBMZTK-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1O ZINC001233230121 978497697 /nfs/dbraw/zinc/49/76/97/978497697.db2.gz XSTOJSJGIBMZTK-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO C[NH+]1CC(NC(=O)C(C)(C)Cc2cccnc2)C1 ZINC001178061840 978498226 /nfs/dbraw/zinc/49/82/26/978498226.db2.gz VECXBJRHAVAPHO-UHFFFAOYSA-N 1 2 247.342 1.081 20 0 BDADLO CCOC1C[NH+](Cc2cccc3c2CCO3)C1 ZINC001233274301 978524625 /nfs/dbraw/zinc/52/46/25/978524625.db2.gz LEJNZMKBVAQXAH-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO N#CN1CC[NH+](Cc2cccc3c2CCO3)CC1 ZINC001233278465 978527959 /nfs/dbraw/zinc/52/79/59/978527959.db2.gz RREKSMPUCCBVLZ-UHFFFAOYSA-N 1 2 243.310 1.220 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2sncc2C)C1 ZINC001233320835 978557207 /nfs/dbraw/zinc/55/72/07/978557207.db2.gz PDGAEAUTHNIFGX-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO CN(Cc1cccc2[nH+]ccn21)C1COC1 ZINC001233363212 978573638 /nfs/dbraw/zinc/57/36/38/978573638.db2.gz NWYCFPFLQAOVSC-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO Cc1ncc(C[NH+]2CC3(CSC3)C2)o1 ZINC001233368568 978579898 /nfs/dbraw/zinc/57/98/98/978579898.db2.gz VUJZZNHETZSHMR-UHFFFAOYSA-N 1 2 210.302 1.532 20 0 BDADLO C[C@@]1(F)CCN(Cc2cccc(N)[nH+]2)C[C@H]1F ZINC001233369568 978582342 /nfs/dbraw/zinc/58/23/42/978582342.db2.gz TZZNVBUQXAOUNW-ZYHUDNBSSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cccc(N)n2)C[C@H]1F ZINC001233369568 978582346 /nfs/dbraw/zinc/58/23/46/978582346.db2.gz TZZNVBUQXAOUNW-ZYHUDNBSSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(N)n2)C[C@H]1F ZINC001233369568 978582353 /nfs/dbraw/zinc/58/23/53/978582353.db2.gz TZZNVBUQXAOUNW-ZYHUDNBSSA-N 1 2 241.285 1.936 20 0 BDADLO CC[N@H+](Cc1cc(F)c(F)cc1N)C1COC1 ZINC001233381691 978593975 /nfs/dbraw/zinc/59/39/75/978593975.db2.gz OGYKZLLYBJGBLO-UHFFFAOYSA-N 1 2 242.269 1.768 20 0 BDADLO CC[N@@H+](Cc1cc(F)c(F)cc1N)C1COC1 ZINC001233381691 978593982 /nfs/dbraw/zinc/59/39/82/978593982.db2.gz OGYKZLLYBJGBLO-UHFFFAOYSA-N 1 2 242.269 1.768 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccnc(C)n2)c[nH+]1 ZINC001178662684 978604880 /nfs/dbraw/zinc/60/48/80/978604880.db2.gz VXDZMSFFWHZBBL-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccnc(C)n2)[nH+]1 ZINC001178662684 978604891 /nfs/dbraw/zinc/60/48/91/978604891.db2.gz VXDZMSFFWHZBBL-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCn1cncc1C[NH2+][C@H]1CCn2ccnc21 ZINC001178774029 978626886 /nfs/dbraw/zinc/62/68/86/978626886.db2.gz FROQJXDGRFSQID-NSHDSACASA-N 1 2 231.303 1.334 20 0 BDADLO CCn1cncc1C[NH2+][C@@H]1CCn2ccnc21 ZINC001178774020 978627846 /nfs/dbraw/zinc/62/78/46/978627846.db2.gz FROQJXDGRFSQID-LLVKDONJSA-N 1 2 231.303 1.334 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1ccn(C)n1 ZINC001338240218 978639977 /nfs/dbraw/zinc/63/99/77/978639977.db2.gz CXEXQOCUYGYAMK-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO Cc1noc2cccc(OC3C[NH+](C)C3)c12 ZINC001233661305 978666333 /nfs/dbraw/zinc/66/63/33/978666333.db2.gz BZDACAUPEYBJEC-UHFFFAOYSA-N 1 2 218.256 1.829 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC001338994239 978767551 /nfs/dbraw/zinc/76/75/51/978767551.db2.gz YDNMAWCASPHFOR-WDEREUQCSA-N 1 2 234.299 1.484 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001339103409 978794095 /nfs/dbraw/zinc/79/40/95/978794095.db2.gz PSZPOOXHHAIWIP-NXEZZACHSA-N 1 2 220.272 1.094 20 0 BDADLO O=C([O-])C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC001601905721 978862279 /nfs/dbraw/zinc/86/22/79/978862279.db2.gz DMCGGVZZJBRPKY-NSHDSACASA-N 1 2 237.303 1.116 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CSC1(C)C)n1cc[nH+]c1 ZINC001325268326 978875546 /nfs/dbraw/zinc/87/55/46/978875546.db2.gz LXKJUDDZOYHQDR-RKDXNWHRSA-N 1 2 239.344 1.454 20 0 BDADLO O=C([O-])CCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001601987428 978877739 /nfs/dbraw/zinc/87/77/39/978877739.db2.gz DDLQPAJQZVPSPM-QWRGUYRKSA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001601987428 978877742 /nfs/dbraw/zinc/87/77/42/978877742.db2.gz DDLQPAJQZVPSPM-QWRGUYRKSA-N 1 2 226.320 1.068 20 0 BDADLO Cc1cccc(CCCNc2ncc(O)cn2)[nH+]1 ZINC001339712436 978897002 /nfs/dbraw/zinc/89/70/02/978897002.db2.gz VZAXHINHKKBVGD-UHFFFAOYSA-N 1 2 244.298 1.930 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1cnn(C)c1 ZINC000070853086 978922360 /nfs/dbraw/zinc/92/23/60/978922360.db2.gz LLMZMILYFJTXKC-SECBINFHSA-N 1 2 219.292 1.004 20 0 BDADLO COC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccco1 ZINC001339843241 978922908 /nfs/dbraw/zinc/92/29/08/978922908.db2.gz SNDBLZFCKFMZSW-NSHDSACASA-N 1 2 235.287 1.788 20 0 BDADLO CC1CC[NH+](Cc2ncc(F)cn2)CC1 ZINC001234997799 978944734 /nfs/dbraw/zinc/94/47/34/978944734.db2.gz CEDWKEUVNCERTR-UHFFFAOYSA-N 1 2 209.268 1.848 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cn2)CCC[C@H]1O ZINC001235004235 978947141 /nfs/dbraw/zinc/94/71/41/978947141.db2.gz JELWRGCKAAMQAM-GXSJLCMTSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cn2)CCC[C@H]1O ZINC001235004235 978947144 /nfs/dbraw/zinc/94/71/44/978947144.db2.gz JELWRGCKAAMQAM-GXSJLCMTSA-N 1 2 239.294 1.209 20 0 BDADLO Fc1cnc(C[NH+]2CCC3(CC3)CC2)nc1 ZINC001235002574 978948519 /nfs/dbraw/zinc/94/85/19/978948519.db2.gz BVEJTWIHYFQRPK-UHFFFAOYSA-N 1 2 221.279 1.992 20 0 BDADLO Cc1ncsc1CN1CCC12C[NH+](C1CC1)C2 ZINC001277923512 978977123 /nfs/dbraw/zinc/97/71/23/978977123.db2.gz ZFHBMCOHWQEZGS-UHFFFAOYSA-N 1 2 249.383 1.874 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCC12CN(C1CC1)C2 ZINC001277923512 978977126 /nfs/dbraw/zinc/97/71/26/978977126.db2.gz ZFHBMCOHWQEZGS-UHFFFAOYSA-N 1 2 249.383 1.874 20 0 BDADLO Cc1ncsc1C[N@H+]1CCC12CN(C1CC1)C2 ZINC001277923512 978977128 /nfs/dbraw/zinc/97/71/28/978977128.db2.gz ZFHBMCOHWQEZGS-UHFFFAOYSA-N 1 2 249.383 1.874 20 0 BDADLO Cc1cc(F)c(C[N@H+](C)C[C@@H](O)CO)c(F)c1 ZINC001235189983 978993552 /nfs/dbraw/zinc/99/35/52/978993552.db2.gz NQGWBMZMXOFVEY-SECBINFHSA-N 1 2 245.269 1.058 20 0 BDADLO Cc1cc(F)c(C[N@@H+](C)C[C@@H](O)CO)c(F)c1 ZINC001235189983 978993558 /nfs/dbraw/zinc/99/35/58/978993558.db2.gz NQGWBMZMXOFVEY-SECBINFHSA-N 1 2 245.269 1.058 20 0 BDADLO C[C@@H]1CCCCN(C(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181240750 979015009 /nfs/dbraw/zinc/01/50/09/979015009.db2.gz RUTUZRRDEOKYDV-LLVKDONJSA-N 1 2 247.342 1.855 20 0 BDADLO C[C@H](C(=O)NC1(C2CC2)CC1)n1cc[nH+]c1 ZINC001340395412 979017550 /nfs/dbraw/zinc/01/75/50/979017550.db2.gz JLLJGHMRDLEBBF-SECBINFHSA-N 1 2 219.288 1.503 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181229122 979024155 /nfs/dbraw/zinc/02/41/55/979024155.db2.gz HFROZGBGUFTBMA-GHMZBOCLSA-N 1 2 247.342 1.996 20 0 BDADLO Nc1cc(CC(=O)N2CC(F)(C3CC3)C2)cc[nH+]1 ZINC001181228676 979024663 /nfs/dbraw/zinc/02/46/63/979024663.db2.gz CPBVBIWFZFJWJU-UHFFFAOYSA-N 1 2 249.289 1.167 20 0 BDADLO C[C@H](NC(=O)Cc1cc[nH+]c(N)c1)c1ccno1 ZINC001181276855 979033156 /nfs/dbraw/zinc/03/31/56/979033156.db2.gz JLNCBIWQIGVSBA-QMMMGPOBSA-N 1 2 246.270 1.072 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCOCC(F)(F)C1 ZINC001235539973 979081557 /nfs/dbraw/zinc/08/15/57/979081557.db2.gz FHYADCIFPPSZKQ-UHFFFAOYSA-N 1 2 245.273 1.196 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCCC12COC2 ZINC001235544539 979085394 /nfs/dbraw/zinc/08/53/94/979085394.db2.gz SLWUTJXTQRVCBT-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001181494600 979120113 /nfs/dbraw/zinc/12/01/13/979120113.db2.gz KPIIBUCGGVJDFY-NSHDSACASA-N 1 2 235.331 1.560 20 0 BDADLO CC(C)[C@H](C)C(=O)NCCOc1cc[nH+]cc1 ZINC001181512511 979131064 /nfs/dbraw/zinc/13/10/64/979131064.db2.gz QCYMTVRLDPYZSZ-NSHDSACASA-N 1 2 236.315 1.869 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@@H](O)C2)c1Cl ZINC001235831178 979164494 /nfs/dbraw/zinc/16/44/94/979164494.db2.gz WVSISSCHQGMSRI-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@@H](O)C2)c1Cl ZINC001235831178 979164502 /nfs/dbraw/zinc/16/45/02/979164502.db2.gz WVSISSCHQGMSRI-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO [NH3+][C@@H](CC(=O)NCCC[C@@H]1C=CCC1)C(F)F ZINC001340940527 979168959 /nfs/dbraw/zinc/16/89/59/979168959.db2.gz LDCIOJFCIYNYFY-ZJUUUORDSA-N 1 2 246.301 1.832 20 0 BDADLO COC/C(C)=C\C[NH2+][C@@H](C)c1nc(C)no1 ZINC001341058533 979213943 /nfs/dbraw/zinc/21/39/43/979213943.db2.gz BQXFKAJWAOAGNV-RDOCRHDPSA-N 1 2 225.292 1.621 20 0 BDADLO CC(C)(C)ONC(=O)c1cccc2[nH+]ccn21 ZINC001341324772 979336707 /nfs/dbraw/zinc/33/67/07/979336707.db2.gz GZFWYTDXYPQMND-UHFFFAOYSA-N 1 2 233.271 1.794 20 0 BDADLO COCC(C)(C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001181939707 979375108 /nfs/dbraw/zinc/37/51/08/979375108.db2.gz PMXQWBJEPSKTKE-UHFFFAOYSA-N 1 2 248.326 1.603 20 0 BDADLO CCn1ccc(C[NH+]2CC3(C2)CCOC3)n1 ZINC001182115861 979449653 /nfs/dbraw/zinc/44/96/53/979449653.db2.gz UTONDBSPXNUSSI-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO COCCCCc1nnc(C[NH+](C)C)o1 ZINC001341627904 979496721 /nfs/dbraw/zinc/49/67/21/979496721.db2.gz PVCMNKWTWAZWFM-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)C1 ZINC001182290518 979491124 /nfs/dbraw/zinc/49/11/24/979491124.db2.gz ZTOILIYBRVEVGL-VXGBXAGGSA-N 1 2 248.301 1.359 20 0 BDADLO O[C@H]1[C@H]([NH2+]Cc2csnn2)CCCC1(F)F ZINC001182325659 979497475 /nfs/dbraw/zinc/49/74/75/979497475.db2.gz BXQJJLXCRIEQLQ-SFYZADRCSA-N 1 2 249.286 1.176 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)NC(=O)C3)c[nH+]1 ZINC001236312786 979516533 /nfs/dbraw/zinc/51/65/33/979516533.db2.gz WGIADKMBLXGJRM-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO Cc1cc(-c2ccc(N)[nH+]c2)ccc1C(N)=O ZINC001236317676 979531556 /nfs/dbraw/zinc/53/15/56/979531556.db2.gz UKEHIKZSCJFUDT-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO OCc1cc[nH+]c(NCc2ncccc2F)c1 ZINC001182480087 979545541 /nfs/dbraw/zinc/54/55/41/979545541.db2.gz OSILHSVQIUJFKU-UHFFFAOYSA-N 1 2 233.246 1.720 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)nc1C ZINC001182830635 979653280 /nfs/dbraw/zinc/65/32/80/979653280.db2.gz SFTJOINAHTYKMG-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)nc1C ZINC001182830635 979653287 /nfs/dbraw/zinc/65/32/87/979653287.db2.gz SFTJOINAHTYKMG-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccnc2Cl)CC[C@@H]1O ZINC001236611940 979675302 /nfs/dbraw/zinc/67/53/02/979675302.db2.gz BDNDPOWSMSKAEN-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccnc2Cl)CC[C@@H]1O ZINC001236611940 979675313 /nfs/dbraw/zinc/67/53/13/979675313.db2.gz BDNDPOWSMSKAEN-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO COC1CC[NH+](Cc2nccnc2Cl)CC1 ZINC001236607479 979675327 /nfs/dbraw/zinc/67/53/27/979675327.db2.gz GXNFTBTUWFRTCM-UHFFFAOYSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cccc2occc21 ZINC001236741054 979722215 /nfs/dbraw/zinc/72/22/15/979722215.db2.gz SXGSPTJFRNHBGU-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cccc2occc21 ZINC001236741054 979722226 /nfs/dbraw/zinc/72/22/26/979722226.db2.gz SXGSPTJFRNHBGU-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO CN(C)c1ccc(C[C@@H]2CCCO2)c[nH+]1 ZINC001250102715 979727418 /nfs/dbraw/zinc/72/74/18/979727418.db2.gz JUILENURXIAXEY-NSHDSACASA-N 1 2 206.289 1.869 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1cccc2[nH+]ccn21 ZINC001183163949 979769124 /nfs/dbraw/zinc/76/91/24/979769124.db2.gz WSKASPAOAXOZJU-VIFPVBQESA-N 1 2 233.271 1.291 20 0 BDADLO OC1C[NH+](Cc2ccc(F)c3ccoc32)C1 ZINC001236891105 979784910 /nfs/dbraw/zinc/78/49/10/979784910.db2.gz RPZLRLFZRKPWHA-UHFFFAOYSA-N 1 2 221.231 1.748 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1C[C@H]1C(F)(F)F)C(F)F ZINC001342375627 979788858 /nfs/dbraw/zinc/78/88/58/979788858.db2.gz XJDPLZAMXVJUMJ-UOWFLXDJSA-N 1 2 246.179 1.036 20 0 BDADLO O=c1[nH]c(Cl)c(C[N@H+]2CC[C@@H](O)C2)s1 ZINC001237162461 979823015 /nfs/dbraw/zinc/82/30/15/979823015.db2.gz VQGJHUXKOZJUFM-RXMQYKEDSA-N 1 2 234.708 1.069 20 0 BDADLO O=c1[nH]c(Cl)c(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC001237162461 979823019 /nfs/dbraw/zinc/82/30/19/979823019.db2.gz VQGJHUXKOZJUFM-RXMQYKEDSA-N 1 2 234.708 1.069 20 0 BDADLO O=c1[nH]c(Cl)c(C[NH+]2CCC(O)CC2)s1 ZINC001237155809 979824915 /nfs/dbraw/zinc/82/49/15/979824915.db2.gz WYWWRAHGTMHSJM-UHFFFAOYSA-N 1 2 248.735 1.459 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1CC1OC=CC1=S ZINC001237189129 979837982 /nfs/dbraw/zinc/83/79/82/979837982.db2.gz BCNFESDXJGAGHN-QMMMGPOBSA-N 1 2 240.328 1.231 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CC1OC=CC1=S ZINC001237189129 979837985 /nfs/dbraw/zinc/83/79/85/979837985.db2.gz BCNFESDXJGAGHN-QMMMGPOBSA-N 1 2 240.328 1.231 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001605478164 979878427 /nfs/dbraw/zinc/87/84/27/979878427.db2.gz VKMSBCDOLULKPR-WYUUTHIRSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001605478164 979878431 /nfs/dbraw/zinc/87/84/31/979878431.db2.gz VKMSBCDOLULKPR-WYUUTHIRSA-N 1 2 240.347 1.170 20 0 BDADLO c1c(C[N@@H+]2CCCOCC2)nn2ccccc12 ZINC001237440527 979893147 /nfs/dbraw/zinc/89/31/47/979893147.db2.gz FPGKMHKNDDSGOW-UHFFFAOYSA-N 1 2 231.299 1.557 20 0 BDADLO c1c(C[N@H+]2CCCOCC2)nn2ccccc12 ZINC001237440527 979893149 /nfs/dbraw/zinc/89/31/49/979893149.db2.gz FPGKMHKNDDSGOW-UHFFFAOYSA-N 1 2 231.299 1.557 20 0 BDADLO C[C@H](NC(=O)CCc1ccc(N)[nH+]c1)C1CC1 ZINC001183933996 979902552 /nfs/dbraw/zinc/90/25/52/979902552.db2.gz CWMCUDDXOFSNSB-VIFPVBQESA-N 1 2 233.315 1.511 20 0 BDADLO Nc1ccc(CCC(=O)NCC(F)(F)F)c[nH+]1 ZINC001183929255 979909119 /nfs/dbraw/zinc/90/91/19/979909119.db2.gz MSOKVKSDHLFCCP-UHFFFAOYSA-N 1 2 247.220 1.275 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(Cl)ccnc2F)C[C@H]1O ZINC001183991600 979926687 /nfs/dbraw/zinc/92/66/87/979926687.db2.gz MCBWYNMONHXBDI-GMSGAONNSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(Cl)ccnc2F)C[C@H]1O ZINC001183991600 979926694 /nfs/dbraw/zinc/92/66/94/979926694.db2.gz MCBWYNMONHXBDI-GMSGAONNSA-N 1 2 244.697 1.687 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccn2nccc2c1 ZINC001237538725 979931763 /nfs/dbraw/zinc/93/17/63/979931763.db2.gz ICXLPIJBZZCYPL-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccn2nccc2c1 ZINC001237538725 979931774 /nfs/dbraw/zinc/93/17/74/979931774.db2.gz ICXLPIJBZZCYPL-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccn3nccc3c2)C[C@@H]1F ZINC001237550067 979935946 /nfs/dbraw/zinc/93/59/46/979935946.db2.gz OJPNZYFHWXCSRQ-QWHCGFSZSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccn3nccc3c2)C[C@@H]1F ZINC001237550067 979935948 /nfs/dbraw/zinc/93/59/48/979935948.db2.gz OJPNZYFHWXCSRQ-QWHCGFSZSA-N 1 2 249.289 1.503 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001237588021 979943490 /nfs/dbraw/zinc/94/34/90/979943490.db2.gz LTAQOYQVYACWOC-ZJUUUORDSA-N 1 2 211.284 1.835 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001237588021 979943495 /nfs/dbraw/zinc/94/34/95/979943495.db2.gz LTAQOYQVYACWOC-ZJUUUORDSA-N 1 2 211.284 1.835 20 0 BDADLO CCn1c[nH+]cc1CN1Cc2cccnc2C1 ZINC001237587641 979944377 /nfs/dbraw/zinc/94/43/77/979944377.db2.gz HNYDLFAOWJVZNX-UHFFFAOYSA-N 1 2 228.299 1.814 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001237588012 979945616 /nfs/dbraw/zinc/94/56/16/979945616.db2.gz LTAQOYQVYACWOC-NXEZZACHSA-N 1 2 211.284 1.835 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001237588012 979945617 /nfs/dbraw/zinc/94/56/17/979945617.db2.gz LTAQOYQVYACWOC-NXEZZACHSA-N 1 2 211.284 1.835 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](F)C[C@H](CO)C1 ZINC001237588727 979947519 /nfs/dbraw/zinc/94/75/19/979947519.db2.gz UEYFOVREZFOFGB-WDEREUQCSA-N 1 2 241.310 1.055 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)[C@@H](F)CC1 ZINC001237588794 979950453 /nfs/dbraw/zinc/95/04/53/979950453.db2.gz YUIQXBPQZMIFIE-NSHDSACASA-N 1 2 239.294 1.406 20 0 BDADLO FC1(F)CC2(C1)CC[NH+](Cc1nnc[nH]1)CC2 ZINC001237599005 979956593 /nfs/dbraw/zinc/95/65/93/979956593.db2.gz GNBUUDRNQPONPF-UHFFFAOYSA-N 1 2 242.273 1.816 20 0 BDADLO FC1(F)CC2(C1)CC[NH+](Cc1nc[nH]n1)CC2 ZINC001237599005 979956598 /nfs/dbraw/zinc/95/65/98/979956598.db2.gz GNBUUDRNQPONPF-UHFFFAOYSA-N 1 2 242.273 1.816 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237594845 979957081 /nfs/dbraw/zinc/95/70/81/979957081.db2.gz XVEHINXHCMJIAZ-ZYHUDNBSSA-N 1 2 221.304 1.266 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@@H](C)[C@H]2C)nc[nH+]1 ZINC001343020019 979979687 /nfs/dbraw/zinc/97/96/87/979979687.db2.gz MHCGQRFHLQGESG-AEJSXWLSSA-N 1 2 236.319 1.520 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@@H](C)[C@H]2C)[nH+]cn1 ZINC001343020019 979979699 /nfs/dbraw/zinc/97/96/99/979979699.db2.gz MHCGQRFHLQGESG-AEJSXWLSSA-N 1 2 236.319 1.520 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@H](C)[C@@H]2C)nc[nH+]1 ZINC001343020024 979980515 /nfs/dbraw/zinc/98/05/15/979980515.db2.gz MHCGQRFHLQGESG-LPEHRKFASA-N 1 2 236.319 1.520 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@H](C)[C@@H]2C)[nH+]cn1 ZINC001343020024 979980524 /nfs/dbraw/zinc/98/05/24/979980524.db2.gz MHCGQRFHLQGESG-LPEHRKFASA-N 1 2 236.319 1.520 20 0 BDADLO Cc1coc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC001237639969 979990235 /nfs/dbraw/zinc/99/02/35/979990235.db2.gz WYDVQZRZDAMEOK-AOOOYVTPSA-N 1 2 220.272 1.679 20 0 BDADLO Cc1coc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC001237639969 979990242 /nfs/dbraw/zinc/99/02/42/979990242.db2.gz WYDVQZRZDAMEOK-AOOOYVTPSA-N 1 2 220.272 1.679 20 0 BDADLO C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001606297388 979992675 /nfs/dbraw/zinc/99/26/75/979992675.db2.gz OEKSRZSVCNVSNQ-VIFPVBQESA-N 1 2 238.287 1.019 20 0 BDADLO C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001606297388 979992679 /nfs/dbraw/zinc/99/26/79/979992679.db2.gz OEKSRZSVCNVSNQ-VIFPVBQESA-N 1 2 238.287 1.019 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001237648287 980000883 /nfs/dbraw/zinc/00/08/83/980000883.db2.gz FXHVOTAHLLZUGS-GFCCVEGCSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001237648287 980000889 /nfs/dbraw/zinc/00/08/89/980000889.db2.gz FXHVOTAHLLZUGS-GFCCVEGCSA-N 1 2 222.288 1.738 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCc2cccnc2C1 ZINC001237652130 980009353 /nfs/dbraw/zinc/00/93/53/980009353.db2.gz FKXDROUQJZKDAU-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCc2cccnc2C1 ZINC001237652130 980009364 /nfs/dbraw/zinc/00/93/64/980009364.db2.gz FKXDROUQJZKDAU-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCOCC12CCC2 ZINC001237660239 980022892 /nfs/dbraw/zinc/02/28/92/980022892.db2.gz XRFCZJYXHXXRIX-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCOCC12CCC2 ZINC001237660239 980022903 /nfs/dbraw/zinc/02/29/03/980022903.db2.gz XRFCZJYXHXXRIX-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001237806665 980052864 /nfs/dbraw/zinc/05/28/64/980052864.db2.gz UXXILGJNAVTKTQ-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001237806665 980052872 /nfs/dbraw/zinc/05/28/72/980052872.db2.gz UXXILGJNAVTKTQ-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CC(C)Cc1coc(NC(=O)C[NH+](C)C)n1 ZINC001607151314 980093848 /nfs/dbraw/zinc/09/38/48/980093848.db2.gz FSLSXYKSAULGGQ-UHFFFAOYSA-N 1 2 225.292 1.373 20 0 BDADLO CC1(C)C[NH+](Cc2c(N)ccnc2F)C1 ZINC001238154549 980178364 /nfs/dbraw/zinc/17/83/64/980178364.db2.gz VELXSZKVWWJGPL-UHFFFAOYSA-N 1 2 209.268 1.645 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001185178386 980189664 /nfs/dbraw/zinc/18/96/64/980189664.db2.gz CTAOBXCNHBWIHB-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001238180373 980213893 /nfs/dbraw/zinc/21/38/93/980213893.db2.gz ZHAPXBKNTXIYHS-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ncncc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001238180373 980213897 /nfs/dbraw/zinc/21/38/97/980213897.db2.gz ZHAPXBKNTXIYHS-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1CC1(C)C ZINC001343734574 980228209 /nfs/dbraw/zinc/22/82/09/980228209.db2.gz WSBFZVDNGRVEAQ-LLVKDONJSA-N 1 2 236.315 1.942 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238225059 980229671 /nfs/dbraw/zinc/22/96/71/980229671.db2.gz QNXWXDZLVHGVCK-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238225059 980229677 /nfs/dbraw/zinc/22/96/77/980229677.db2.gz QNXWXDZLVHGVCK-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)c1 ZINC001238426499 980249783 /nfs/dbraw/zinc/24/97/83/980249783.db2.gz MSSZKKUGTJQCIT-WCQYABFASA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)c1 ZINC001238426499 980249787 /nfs/dbraw/zinc/24/97/87/980249787.db2.gz MSSZKKUGTJQCIT-WCQYABFASA-N 1 2 238.306 1.603 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ncc(C)cc2C)C[C@@H]1F ZINC001238424354 980251029 /nfs/dbraw/zinc/25/10/29/980251029.db2.gz AJYWGCVPXLQBNR-AAEUAGOBSA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ncc(C)cc2C)C[C@@H]1F ZINC001238424354 980251035 /nfs/dbraw/zinc/25/10/35/980251035.db2.gz AJYWGCVPXLQBNR-AAEUAGOBSA-N 1 2 238.306 1.867 20 0 BDADLO CSc1cc(C)cc(C[NH+]2CC(O)C2)c1 ZINC001238676619 980310146 /nfs/dbraw/zinc/31/01/46/980310146.db2.gz YDJYPOSLKGPWRE-UHFFFAOYSA-N 1 2 223.341 1.893 20 0 BDADLO C[C@@H](C(=O)N1CC(C(F)F)C1)n1cc[nH+]c1 ZINC001344081051 980343188 /nfs/dbraw/zinc/34/31/88/980343188.db2.gz BWFISZSYUOXVGQ-ZETCQYMHSA-N 1 2 229.230 1.168 20 0 BDADLO CN(C)c1cc(/C=C/C(C)(C)O)cc[nH+]1 ZINC001239155995 980470161 /nfs/dbraw/zinc/47/01/61/980470161.db2.gz OCDWKGOERZAAID-FNORWQNLSA-N 1 2 206.289 1.932 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCCCc1c[nH+]cn1C ZINC001344916997 980499880 /nfs/dbraw/zinc/49/98/80/980499880.db2.gz MOYWJLHMIDWEPO-MWLCHTKSSA-N 1 2 222.288 1.552 20 0 BDADLO O=C([C@H]1CCC=N1)N1CCC(n2cc[nH+]c2)CC1 ZINC001187365819 980504404 /nfs/dbraw/zinc/50/44/04/980504404.db2.gz SJUFGOOJVAQRRT-GFCCVEGCSA-N 1 2 246.314 1.280 20 0 BDADLO CCn1ccc(C(=O)OCc2c[nH+]cn2CC)n1 ZINC001344972993 980510767 /nfs/dbraw/zinc/51/07/67/980510767.db2.gz YDZJZWIPNIKTHM-UHFFFAOYSA-N 1 2 248.286 1.476 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1CCC=N1 ZINC001187356412 980525109 /nfs/dbraw/zinc/52/51/09/980525109.db2.gz YREDBCSNJCJMDN-GFCCVEGCSA-N 1 2 229.283 1.164 20 0 BDADLO O=C1[C@@H]([N@@H+]2CCC[C@H](F)C2)CCN1C1CC1 ZINC001345109545 980552331 /nfs/dbraw/zinc/55/23/31/980552331.db2.gz UDZMNQUVZFGRMZ-ONGXEEELSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@@H]([N@H+]2CCC[C@H](F)C2)CCN1C1CC1 ZINC001345109545 980552334 /nfs/dbraw/zinc/55/23/34/980552334.db2.gz UDZMNQUVZFGRMZ-ONGXEEELSA-N 1 2 226.295 1.184 20 0 BDADLO Cc1c[nH]cc1C(=O)NCCOc1cc[nH+]cc1 ZINC001187806996 980553998 /nfs/dbraw/zinc/55/39/98/980553998.db2.gz LIGGUFKZETWVML-UHFFFAOYSA-N 1 2 245.282 1.527 20 0 BDADLO Cc1c[nH]cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001187807259 980554315 /nfs/dbraw/zinc/55/43/15/980554315.db2.gz SNEPKEHOWNNSRN-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO c1cn(Cc2ccc(C3=CCOC3)nc2)c[nH+]1 ZINC001239475552 980610790 /nfs/dbraw/zinc/61/07/90/980610790.db2.gz DRGCFPAPETZLHS-UHFFFAOYSA-N 1 2 227.267 1.740 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)c[nH]1 ZINC001188206792 980626617 /nfs/dbraw/zinc/62/66/17/980626617.db2.gz IZOVKXZJGLHYBY-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cnn(C)c1C ZINC001345587100 980637548 /nfs/dbraw/zinc/63/75/48/980637548.db2.gz CYRJPWQJFLCCKC-UHFFFAOYSA-N 1 2 248.286 1.302 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1C[C@H]1C1CCC1)n1cc[nH+]c1 ZINC001345659778 980665734 /nfs/dbraw/zinc/66/57/34/980665734.db2.gz FDLOVOAQYCPZCB-DRZSPHRISA-N 1 2 247.342 1.997 20 0 BDADLO C[NH+](C)Cc1nnc(C2(C)CCOCC2)o1 ZINC001345941927 980714188 /nfs/dbraw/zinc/71/41/88/980714188.db2.gz RXIQCABVWIYBDH-UHFFFAOYSA-N 1 2 225.292 1.199 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001346279932 980803289 /nfs/dbraw/zinc/80/32/89/980803289.db2.gz PPVSXJQAVBVXSU-ZJUUUORDSA-N 1 2 221.304 1.125 20 0 BDADLO Nc1cn2ccc(-c3ccncc3)cc2[nH+]1 ZINC001239610234 980806301 /nfs/dbraw/zinc/80/63/01/980806301.db2.gz XEGNTYQEMSKEDJ-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)CCc1[nH+]ccn1C ZINC001346680870 980882860 /nfs/dbraw/zinc/88/28/60/980882860.db2.gz CIMMLCIRIQLXFM-PHIMTYICSA-N 1 2 235.331 1.752 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001346823095 980917548 /nfs/dbraw/zinc/91/75/48/980917548.db2.gz MWJQISBNPKLZQQ-RYUDHWBXSA-N 1 2 234.299 1.566 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001346862094 980921575 /nfs/dbraw/zinc/92/15/75/980921575.db2.gz WCXVYVWDMKZQFQ-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H](SCCn1cc[nH+]c1)c1nncn1C ZINC001346904156 980931711 /nfs/dbraw/zinc/93/17/11/980931711.db2.gz HORPPOVURFKYFA-VIFPVBQESA-N 1 2 237.332 1.506 20 0 BDADLO Cc1c[nH]c(C(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC001191093908 980980540 /nfs/dbraw/zinc/98/05/40/980980540.db2.gz PURUTWNDNVTJRE-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO C[NH+]1CC(NC(=O)NCCCc2ccccc2)C1 ZINC001191219775 981003712 /nfs/dbraw/zinc/00/37/12/981003712.db2.gz JDMNFIUJZKPNMI-UHFFFAOYSA-N 1 2 247.342 1.232 20 0 BDADLO CN(C)c1cc(-c2ccc(C(N)=O)cc2)cc[nH+]1 ZINC001239872188 981014224 /nfs/dbraw/zinc/01/42/24/981014224.db2.gz ULIGNMKRKISVLC-UHFFFAOYSA-N 1 2 241.294 1.914 20 0 BDADLO O=C(NCc1c[nH+]c2ccc(F)cn12)NC1CC1 ZINC001191509788 981054528 /nfs/dbraw/zinc/05/45/28/981054528.db2.gz BOWDDXCCXSSASE-UHFFFAOYSA-N 1 2 248.261 1.435 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735196 981154826 /nfs/dbraw/zinc/15/48/26/981154826.db2.gz HGBJSEBQUSWDIR-MNOVXSKESA-N 1 2 235.331 1.371 20 0 BDADLO Cc1ccc(C[NH+]2CC(N3CCOCC3)C2)o1 ZINC001203294010 981160886 /nfs/dbraw/zinc/16/08/86/981160886.db2.gz QAVORBIXVVLDIL-UHFFFAOYSA-N 1 2 236.315 1.104 20 0 BDADLO Nc1ncccc1-c1ccc2[nH+]ccn2c1 ZINC001240217928 981166419 /nfs/dbraw/zinc/16/64/19/981166419.db2.gz RGOMTDFKYBZNEY-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cnn(C)c2)cc1 ZINC001240296771 981246809 /nfs/dbraw/zinc/24/68/09/981246809.db2.gz AJDMWMSKDKJYNY-LBPRGKRZSA-N 1 2 245.282 1.260 20 0 BDADLO CC[C@@H](NCc1c[nH+]cn1C)c1noc(C)n1 ZINC001193241127 981277686 /nfs/dbraw/zinc/27/76/86/981277686.db2.gz XRXKNTBBSQNGER-SNVBAGLBSA-N 1 2 235.291 1.352 20 0 BDADLO CCc1ccc(N(CCO)CCCOC)[nH+]c1 ZINC001348119335 981288663 /nfs/dbraw/zinc/28/86/63/981288663.db2.gz ZXBOCNNJFCSYTI-UHFFFAOYSA-N 1 2 238.331 1.479 20 0 BDADLO CCC[C@]1(CO)CCN(c2cc(N)nc[nH+]2)C1 ZINC001348183276 981303673 /nfs/dbraw/zinc/30/36/73/981303673.db2.gz FVRRGTRZQCJKID-LBPRGKRZSA-N 1 2 236.319 1.048 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C12CCC(CC1)C2 ZINC001348240591 981313976 /nfs/dbraw/zinc/31/39/76/981313976.db2.gz AECGISSXTFAPBZ-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO CC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CC=CC1 ZINC001348326033 981337407 /nfs/dbraw/zinc/33/74/07/981337407.db2.gz FHDFXZCQHYBSIQ-LLVKDONJSA-N 1 2 241.306 1.930 20 0 BDADLO CC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CC=CC1 ZINC001348326033 981337411 /nfs/dbraw/zinc/33/74/11/981337411.db2.gz FHDFXZCQHYBSIQ-LLVKDONJSA-N 1 2 241.306 1.930 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2Cc3ccc(F)cc32)o1 ZINC001348434921 981362517 /nfs/dbraw/zinc/36/25/17/981362517.db2.gz CSGBIOQVLLXTAV-NSHDSACASA-N 1 2 247.273 1.958 20 0 BDADLO CC(C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001348495042 981374987 /nfs/dbraw/zinc/37/49/87/981374987.db2.gz HREGUZBVWGEAFO-UHFFFAOYSA-N 1 2 223.320 1.467 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc2ccnn2c1 ZINC001240429640 981379437 /nfs/dbraw/zinc/37/94/37/981379437.db2.gz VXDGXFFPAFSNJS-SKRMJIETSA-N 1 2 200.245 1.605 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H]2CCOC2)[nH+]cn1 ZINC000158788595 981415362 /nfs/dbraw/zinc/41/53/62/981415362.db2.gz SKBSUSCZLNHEII-IUCAKERBSA-N 1 2 222.292 1.355 20 0 BDADLO c1cn2ccc(-c3nccc4n[nH]nc43)cc2[nH+]1 ZINC001240496163 981415850 /nfs/dbraw/zinc/41/58/50/981415850.db2.gz JAABBXCFURDQNV-UHFFFAOYSA-N 1 2 236.238 1.668 20 0 BDADLO COCc1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240504044 981430693 /nfs/dbraw/zinc/43/06/93/981430693.db2.gz VXOIVTMQJBIYJE-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO O=c1occcc1-c1ccn2cc[nH+]c2c1 ZINC001240511855 981437473 /nfs/dbraw/zinc/43/74/73/981437473.db2.gz KMISBEOBNZWDTL-UHFFFAOYSA-N 1 2 212.208 1.955 20 0 BDADLO c1cn2ccc(-c3nccn4ncnc34)cc2[nH+]1 ZINC001240513400 981439755 /nfs/dbraw/zinc/43/97/55/981439755.db2.gz QCNXPZREMWNQNB-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO CCn1cncc1C[NH2+]Cc1csc(C)n1 ZINC000085183714 981454751 /nfs/dbraw/zinc/45/47/51/981454751.db2.gz VDABUJWCGGHVDA-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC1(C)C ZINC001348841051 981457280 /nfs/dbraw/zinc/45/72/80/981457280.db2.gz CKBUGCFKTUGIHB-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO C[C@H](C(=O)NC1=NC[C@@H](C)S1)n1cc[nH+]c1 ZINC001348979750 981491213 /nfs/dbraw/zinc/49/12/13/981491213.db2.gz ROPCPHLDRWHZSR-HTQZYQBOSA-N 1 2 238.316 1.052 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC([C@H](C)O)C2)c(C)[nH+]1 ZINC001348993165 981493391 /nfs/dbraw/zinc/49/33/91/981493391.db2.gz OEXFZPQULPZCBM-NSHDSACASA-N 1 2 248.326 1.460 20 0 BDADLO COC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001193902322 981505153 /nfs/dbraw/zinc/50/51/53/981505153.db2.gz YOWPPRYZWKHARH-SECBINFHSA-N 1 2 248.273 1.558 20 0 BDADLO COCCn1cc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001240633864 981526372 /nfs/dbraw/zinc/52/63/72/981526372.db2.gz WDCZNTFNBNSUCH-UHFFFAOYSA-N 1 2 244.298 1.560 20 0 BDADLO Cc1cc(-c2cnn([C@H]3CCOC3)c2)c[nH+]c1N ZINC001240637301 981529814 /nfs/dbraw/zinc/52/98/14/981529814.db2.gz OMVZCAFHRXCINQ-LBPRGKRZSA-N 1 2 244.298 1.797 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC[C@@H](F)C1)n1cc[nH+]c1 ZINC001349455183 981557341 /nfs/dbraw/zinc/55/73/41/981557341.db2.gz JOKYOKQKUPSJGV-MXWKQRLJSA-N 1 2 239.294 1.841 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791275 981744078 /nfs/dbraw/zinc/74/40/78/981744078.db2.gz GIMHVMFOZMHPSU-NEPJUHHUSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1nocc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791692 981745992 /nfs/dbraw/zinc/74/59/92/981745992.db2.gz MEHBJFRTAIESEB-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1nnsc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001349792269 981747082 /nfs/dbraw/zinc/74/70/82/981747082.db2.gz UZKDGEKKYDKKQS-UHFFFAOYSA-N 1 2 248.311 1.533 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/[C@@H]2CCOC2)o1 ZINC001349986300 981837938 /nfs/dbraw/zinc/83/79/38/981837938.db2.gz MYQRAHHSQDYVJI-CDAZIORVSA-N 1 2 223.276 1.181 20 0 BDADLO C=Cc1[nH+]cnc2[nH]cc(C(=O)OCC)c21 ZINC001240826163 981865586 /nfs/dbraw/zinc/86/55/86/981865586.db2.gz ARZUCSKCPLLEQY-UHFFFAOYSA-N 1 2 217.228 1.729 20 0 BDADLO CCc1coc(NC(=O)CCc2[nH+]ccn2C)n1 ZINC001350289587 981910531 /nfs/dbraw/zinc/91/05/31/981910531.db2.gz GKNHEXPPUYJNDR-UHFFFAOYSA-N 1 2 248.286 1.542 20 0 BDADLO c1c(C[NH2+]Cc2cncnc2)onc1C1CC1 ZINC001350292740 981910749 /nfs/dbraw/zinc/91/07/49/981910749.db2.gz BQEJZAMVHPOOIS-UHFFFAOYSA-N 1 2 230.271 1.632 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cscn1 ZINC001350334144 981929284 /nfs/dbraw/zinc/92/92/84/981929284.db2.gz LVKLSTRRCMVPJM-UHFFFAOYSA-N 1 2 237.284 1.717 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](CF)C1 ZINC001350385993 981958137 /nfs/dbraw/zinc/95/81/37/981958137.db2.gz HSWHSWJQVNXLOJ-JTQLQIEISA-N 1 2 239.294 1.171 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1c1ncc[nH]1 ZINC001350587974 982009123 /nfs/dbraw/zinc/00/91/23/982009123.db2.gz DWKGAZXJXJJOSU-JTQLQIEISA-N 1 2 245.286 1.039 20 0 BDADLO CC(C)n1c[nH+]cc1CNC(=O)OCCF ZINC001194987343 982021093 /nfs/dbraw/zinc/02/10/93/982021093.db2.gz FYHSWOMERSECHS-UHFFFAOYSA-N 1 2 229.255 1.660 20 0 BDADLO Nc1cc(-c2cnc3c(c2)OCCO3)cc[nH+]1 ZINC001241163625 982309005 /nfs/dbraw/zinc/30/90/05/982309005.db2.gz XHMYNPFYZIGZBO-UHFFFAOYSA-N 1 2 229.239 1.497 20 0 BDADLO CC(=O)Nc1ncc(-c2cc[nH+]c(N)c2)cc1C ZINC001241169963 982312999 /nfs/dbraw/zinc/31/29/99/982312999.db2.gz SMHGWMMNXHFQGR-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO C[N@H+](CCCCCO)Cc1c(F)cncc1F ZINC001351423811 982313496 /nfs/dbraw/zinc/31/34/96/982313496.db2.gz FGOOJNKBJNFUMH-UHFFFAOYSA-N 1 2 244.285 1.954 20 0 BDADLO C[N@@H+](CCCCCO)Cc1c(F)cncc1F ZINC001351423811 982313507 /nfs/dbraw/zinc/31/35/07/982313507.db2.gz FGOOJNKBJNFUMH-UHFFFAOYSA-N 1 2 244.285 1.954 20 0 BDADLO CN(C)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241170446 982316209 /nfs/dbraw/zinc/31/62/09/982316209.db2.gz NSQQPHDOMWWMLT-UHFFFAOYSA-N 1 2 214.272 1.792 20 0 BDADLO Cc1noc([C@H](C)NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001351618793 982340776 /nfs/dbraw/zinc/34/07/76/982340776.db2.gz ZOOMTXBRIQJFAO-QMMMGPOBSA-N 1 2 235.291 1.569 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1(C)CC1 ZINC001351657741 982353226 /nfs/dbraw/zinc/35/32/26/982353226.db2.gz RZGHATBSGDSKDI-VHSXEESVSA-N 1 2 248.330 1.296 20 0 BDADLO C[C@@H]1C(=O)CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001351807548 982396236 /nfs/dbraw/zinc/39/62/36/982396236.db2.gz VTCDYJUTXWFFJF-SECBINFHSA-N 1 2 249.314 1.267 20 0 BDADLO COCCCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC001196113687 982402461 /nfs/dbraw/zinc/40/24/61/982402461.db2.gz GKVDNTFZJUVUKN-GFCCVEGCSA-N 1 2 249.326 1.684 20 0 BDADLO CC(C)[C@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001352444543 982525316 /nfs/dbraw/zinc/52/53/16/982525316.db2.gz YUTXWSVBBHVALW-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1C=CCC1 ZINC001352433935 982525465 /nfs/dbraw/zinc/52/54/65/982525465.db2.gz SNACANWCVTVMBS-JTQLQIEISA-N 1 2 219.288 1.188 20 0 BDADLO CN(C)C(=O)OCC[N@@H+]1CCC[C@H](F)C1 ZINC001352759920 982568798 /nfs/dbraw/zinc/56/87/98/982568798.db2.gz HBDTVWSKZVSIRB-VIFPVBQESA-N 1 2 218.272 1.119 20 0 BDADLO CN(C)C(=O)OCC[N@H+]1CCC[C@H](F)C1 ZINC001352759920 982568801 /nfs/dbraw/zinc/56/88/01/982568801.db2.gz HBDTVWSKZVSIRB-VIFPVBQESA-N 1 2 218.272 1.119 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[O-] ZINC001589068153 982595951 /nfs/dbraw/zinc/59/59/51/982595951.db2.gz USCZEKZHYMTSMN-UTUOFQBUSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[O-] ZINC001589068153 982595958 /nfs/dbraw/zinc/59/59/58/982595958.db2.gz USCZEKZHYMTSMN-UTUOFQBUSA-N 1 2 240.347 1.314 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@]23CCOC3)n1 ZINC001203177002 982640961 /nfs/dbraw/zinc/64/09/61/982640961.db2.gz LUPUQVPIBCHHQM-LBPRGKRZSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@]23CCOC3)n1 ZINC001203177002 982640976 /nfs/dbraw/zinc/64/09/76/982640976.db2.gz LUPUQVPIBCHHQM-LBPRGKRZSA-N 1 2 219.288 1.150 20 0 BDADLO CC(C)(F)C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC001589312267 982709816 /nfs/dbraw/zinc/70/98/16/982709816.db2.gz CTIYGMWLXUEDDU-UHFFFAOYSA-N 1 2 239.254 1.297 20 0 BDADLO Cc1nc(N)ncc1-c1ccn2cc(N)[nH+]c2c1 ZINC001241644358 982882213 /nfs/dbraw/zinc/88/22/13/982882213.db2.gz HACLDLYAALRXOW-UHFFFAOYSA-N 1 2 240.270 1.264 20 0 BDADLO CC[C@H](F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001353610944 982918680 /nfs/dbraw/zinc/91/86/80/982918680.db2.gz SBRHGSMFMPJWOF-JTQLQIEISA-N 1 2 235.262 1.699 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)c(O)c1 ZINC001353668430 982962110 /nfs/dbraw/zinc/96/21/10/982962110.db2.gz YLPTVGIKUCSVAU-SSDOTTSWSA-N 1 2 244.241 1.622 20 0 BDADLO Nc1nc(NC[C@H]2CCOC2)[nH+]c2ccccc12 ZINC001354002419 983112779 /nfs/dbraw/zinc/11/27/79/983112779.db2.gz JKFWOGCTGQSZTL-SECBINFHSA-N 1 2 244.298 1.660 20 0 BDADLO Nc1nc(NC[C@@H]2CCOC2)[nH+]c2ccccc12 ZINC001354002421 983112854 /nfs/dbraw/zinc/11/28/54/983112854.db2.gz JKFWOGCTGQSZTL-VIFPVBQESA-N 1 2 244.298 1.660 20 0 BDADLO CC1(C)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001354007293 983112993 /nfs/dbraw/zinc/11/29/93/983112993.db2.gz UZHQIJACCXWRSC-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO C/C(Cl)=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC001354019122 983114982 /nfs/dbraw/zinc/11/49/82/983114982.db2.gz KARHVPDXAGYBNE-YWEYNIOJSA-N 1 2 225.679 1.368 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001354032204 983120453 /nfs/dbraw/zinc/12/04/53/983120453.db2.gz VFYNXYZPICSTRS-ZFRGLUTLSA-N 1 2 241.241 1.112 20 0 BDADLO Cc1cc(-c2ccc3n[nH]nc3c2)c[nH+]c1N ZINC001241942668 983143591 /nfs/dbraw/zinc/14/35/91/983143591.db2.gz ZCVCHKVCFZZDMG-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CC(=O)c1nn(C)cc1Nc1ccc(N)[nH+]c1 ZINC001201279626 983158579 /nfs/dbraw/zinc/15/85/79/983158579.db2.gz RMRYEXLKOKIJKF-UHFFFAOYSA-N 1 2 231.259 1.344 20 0 BDADLO C[C@@H](O)c1ccnc(Nc2ccc(N)[nH+]c2)c1 ZINC001201279656 983159073 /nfs/dbraw/zinc/15/90/73/983159073.db2.gz RRZPECQHTOIRCP-MRVPVSSYSA-N 1 2 230.271 1.856 20 0 BDADLO NC(=O)c1cc(F)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201292610 983172091 /nfs/dbraw/zinc/17/20/91/983172091.db2.gz QFIFHWBILPGMIM-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO COC(=O)c1cccnc1Nc1ccc(N)[nH+]c1 ZINC001201272078 983172277 /nfs/dbraw/zinc/17/22/77/983172277.db2.gz HZGRUYPMZCGBBD-UHFFFAOYSA-N 1 2 244.254 1.589 20 0 BDADLO COc1ncnc(OC)c1Nc1ccc(N)[nH+]c1 ZINC001201275699 983175962 /nfs/dbraw/zinc/17/59/62/983175962.db2.gz ITGMWHJLWDRYIT-UHFFFAOYSA-N 1 2 247.258 1.215 20 0 BDADLO COCCn1ncc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201278841 983178098 /nfs/dbraw/zinc/17/80/98/983178098.db2.gz HOXZYEJRDWMUSM-UHFFFAOYSA-N 1 2 247.302 1.559 20 0 BDADLO Nc1ccc(Nc2ccnc3cccnc32)c[nH+]1 ZINC001201278775 983178587 /nfs/dbraw/zinc/17/85/87/983178587.db2.gz NTVTUMFSCHAIIG-UHFFFAOYSA-N 1 2 237.266 1.773 20 0 BDADLO Nc1ccc(Nc2nonc2C2CC2)c[nH+]1 ZINC001201278504 983178639 /nfs/dbraw/zinc/17/86/39/983178639.db2.gz CGSQPXRKYQEUSV-UHFFFAOYSA-N 1 2 217.232 1.668 20 0 BDADLO COc1cc(CO)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201299199 983181580 /nfs/dbraw/zinc/18/15/80/983181580.db2.gz DUTBXJVYCWAMFX-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO CNC(=S)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001200607529 983221377 /nfs/dbraw/zinc/22/13/77/983221377.db2.gz MBIQHXRBCWCOKH-JTQLQIEISA-N 1 2 237.328 1.039 20 0 BDADLO Cc1[nH]c(CNc2ncc(F)cn2)[nH+]c1C ZINC001354265717 983239848 /nfs/dbraw/zinc/23/98/48/983239848.db2.gz AWHVFDVHYHQWCF-UHFFFAOYSA-N 1 2 221.239 1.568 20 0 BDADLO CC[C@@H](C)C[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001201501696 983270136 /nfs/dbraw/zinc/27/01/36/983270136.db2.gz LGGVORRSDRSSFZ-BBBLOLIVSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@@H](C)C[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001201501696 983270146 /nfs/dbraw/zinc/27/01/46/983270146.db2.gz LGGVORRSDRSSFZ-BBBLOLIVSA-N 1 2 217.284 1.618 20 0 BDADLO CC(=O)Nc1ccc(-c2c[nH+]c(N)cc2C)nn1 ZINC001242072625 983310264 /nfs/dbraw/zinc/31/02/64/983310264.db2.gz PEQRVEUXAJAFRQ-UHFFFAOYSA-N 1 2 243.270 1.388 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001354482931 983313219 /nfs/dbraw/zinc/31/32/19/983313219.db2.gz FYJZDAIJEIEBPD-VNKGSWCUSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001354482931 983313225 /nfs/dbraw/zinc/31/32/25/983313225.db2.gz FYJZDAIJEIEBPD-VNKGSWCUSA-N 1 2 241.331 1.463 20 0 BDADLO CC(C)[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC001354534996 983320768 /nfs/dbraw/zinc/32/07/68/983320768.db2.gz HYCLRLMGUZLBEV-NSHDSACASA-N 1 2 246.314 1.641 20 0 BDADLO CCOc1nccnc1-c1c[nH+]c(N)cc1C ZINC001242078151 983324761 /nfs/dbraw/zinc/32/47/61/983324761.db2.gz SHMMPHPCOYNKQP-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC/C=C\Cl ZINC001355311195 983470260 /nfs/dbraw/zinc/47/02/60/983470260.db2.gz CMORJFJXFOXLRG-PKRMOACSSA-N 1 2 242.710 1.323 20 0 BDADLO Cc1nc([C@@H](C)Nc2cc[nH+]c(C)n2)no1 ZINC000161855119 983583950 /nfs/dbraw/zinc/58/39/50/983583950.db2.gz GNPDPNNUTLKILU-ZCFIWIBFSA-N 1 2 219.248 1.650 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001356377250 983598749 /nfs/dbraw/zinc/59/87/49/983598749.db2.gz XKEGWMMCFWIYAW-GHMZBOCLSA-N 1 2 234.299 1.980 20 0 BDADLO Oc1c(F)cccc1-c1ncnc2c1C[NH2+]C2 ZINC001242349810 983615687 /nfs/dbraw/zinc/61/56/87/983615687.db2.gz UFWKEWGRPNWYTI-UHFFFAOYSA-N 1 2 231.230 1.592 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(C)n[nH]1 ZINC001202388597 983634425 /nfs/dbraw/zinc/63/44/25/983634425.db2.gz UQBWZIBVFDSMFS-SNVBAGLBSA-N 1 2 233.319 1.785 20 0 BDADLO FC(F)(F)CCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001202441999 983661396 /nfs/dbraw/zinc/66/13/96/983661396.db2.gz JUWCXDPQPKCJPJ-JGVFFNPUSA-N 1 2 209.211 1.802 20 0 BDADLO FC(F)(F)CCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001202441999 983661399 /nfs/dbraw/zinc/66/13/99/983661399.db2.gz JUWCXDPQPKCJPJ-JGVFFNPUSA-N 1 2 209.211 1.802 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1[NH2+]CCc2occc21 ZINC001356631791 983650686 /nfs/dbraw/zinc/65/06/86/983650686.db2.gz MEOMKYLSXASLSK-SECBINFHSA-N 1 2 249.295 1.562 20 0 BDADLO Cc1ccc(NC(=O)NC2C[NH+](C)C2)cc1 ZINC001202436263 983658031 /nfs/dbraw/zinc/65/80/31/983658031.db2.gz LHUVLWVFKNBUOB-UHFFFAOYSA-N 1 2 219.288 1.431 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC001252108163 983668066 /nfs/dbraw/zinc/66/80/66/983668066.db2.gz LPLWOMJRJIAVPW-WDEREUQCSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cnon1 ZINC001473291047 983747626 /nfs/dbraw/zinc/74/76/26/983747626.db2.gz ININRNGVRIATSI-LLVKDONJSA-N 1 2 247.298 1.625 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cnon1 ZINC001473291047 983747632 /nfs/dbraw/zinc/74/76/32/983747632.db2.gz ININRNGVRIATSI-LLVKDONJSA-N 1 2 247.298 1.625 20 0 BDADLO CC[N@H+](CC[NH3+])Cc1cccc(C(=O)[O-])c1 ZINC001596329198 983766280 /nfs/dbraw/zinc/76/62/80/983766280.db2.gz JUFJWGJKGXFJMZ-UHFFFAOYSA-N 1 2 222.288 1.165 20 0 BDADLO CC[N@@H+](CC[NH3+])Cc1cccc(C(=O)[O-])c1 ZINC001596329198 983766281 /nfs/dbraw/zinc/76/62/81/983766281.db2.gz JUFJWGJKGXFJMZ-UHFFFAOYSA-N 1 2 222.288 1.165 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccn(C)n2)cc1 ZINC001242459800 983775600 /nfs/dbraw/zinc/77/56/00/983775600.db2.gz KIJBFGXGUCYBIE-LBPRGKRZSA-N 1 2 245.282 1.260 20 0 BDADLO CC(C)NC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001202535692 983894422 /nfs/dbraw/zinc/89/44/22/983894422.db2.gz ISSAPYGZGYAJFP-UHFFFAOYSA-N 1 2 232.287 1.542 20 0 BDADLO COC[C@@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001252823816 983918793 /nfs/dbraw/zinc/91/87/93/983918793.db2.gz IRHSGZHZDCAVGD-LBPRGKRZSA-N 1 2 247.298 1.496 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1ncc(F)cc1F ZINC000200499964 983956455 /nfs/dbraw/zinc/95/64/55/983956455.db2.gz ZVADXFRVJMBVJU-VIFPVBQESA-N 1 2 228.242 1.317 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1ncc(F)cc1F ZINC000200499964 983956469 /nfs/dbraw/zinc/95/64/69/983956469.db2.gz ZVADXFRVJMBVJU-VIFPVBQESA-N 1 2 228.242 1.317 20 0 BDADLO C[N@H+](Cc1ccc(Cl)nc1)C1(C)COC1 ZINC001137168679 984019933 /nfs/dbraw/zinc/01/99/33/984019933.db2.gz LRCWHYVKXMKTIJ-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)nc1)C1(C)COC1 ZINC001137168679 984019943 /nfs/dbraw/zinc/01/99/43/984019943.db2.gz LRCWHYVKXMKTIJ-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CCCCC[C@@H](O)CNc1cc[nH+]nc1 ZINC001253520159 984189378 /nfs/dbraw/zinc/18/93/78/984189378.db2.gz IQFDFNSVOGBKKB-LLVKDONJSA-N 1 2 209.293 1.830 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000380051027 984308660 /nfs/dbraw/zinc/30/86/60/984308660.db2.gz WYIMQLGWMJSNNB-NXEZZACHSA-N 1 2 207.277 1.188 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)ccc1O ZINC000718337293 984436282 /nfs/dbraw/zinc/43/62/82/984436282.db2.gz NLFLECIHOARIBZ-QWRGUYRKSA-N 1 2 235.283 1.374 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)ccc1O ZINC000718337293 984436305 /nfs/dbraw/zinc/43/63/05/984436305.db2.gz NLFLECIHOARIBZ-QWRGUYRKSA-N 1 2 235.283 1.374 20 0 BDADLO CN1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001275045524 984450647 /nfs/dbraw/zinc/45/06/47/984450647.db2.gz PCLUJLNURGYGGE-UHFFFAOYSA-N 1 2 222.254 1.719 20 0 BDADLO CN1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001275045524 984450652 /nfs/dbraw/zinc/45/06/52/984450652.db2.gz PCLUJLNURGYGGE-UHFFFAOYSA-N 1 2 222.254 1.719 20 0 BDADLO CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1csnn1 ZINC001275051673 984459294 /nfs/dbraw/zinc/45/92/94/984459294.db2.gz CKJHSGRHFUBQLP-YUMQZZPRSA-N 1 2 242.348 1.103 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C)n1 ZINC001441460038 984481519 /nfs/dbraw/zinc/48/15/19/984481519.db2.gz OGIJURLMIHIFHQ-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(c1)CCC(=O)N2 ZINC001243068558 984491005 /nfs/dbraw/zinc/49/10/05/984491005.db2.gz DONZUNNPVSFMMZ-UHFFFAOYSA-N 1 2 228.255 1.367 20 0 BDADLO Cc1cc2c(cc1-c1c[nH+]cn1C)CC(=O)N2 ZINC001243070307 984492551 /nfs/dbraw/zinc/49/25/51/984492551.db2.gz RDLKXUJSQAJFNT-UHFFFAOYSA-N 1 2 227.267 1.890 20 0 BDADLO Cn1c[nH+]cc1-c1ccccc1CC(N)=O ZINC001243070664 984495279 /nfs/dbraw/zinc/49/52/79/984495279.db2.gz JTAXYOFFFMRNGG-UHFFFAOYSA-N 1 2 215.256 1.115 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccnc1N(C)C ZINC001442619934 984502364 /nfs/dbraw/zinc/50/23/64/984502364.db2.gz ZBGLLRXJSNYCEG-NSHDSACASA-N 1 2 248.330 1.180 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccnc1N(C)C ZINC001442619934 984502374 /nfs/dbraw/zinc/50/23/74/984502374.db2.gz ZBGLLRXJSNYCEG-NSHDSACASA-N 1 2 248.330 1.180 20 0 BDADLO CCOC(=O)c1cc(-c2c[nH+]cn2C)cnc1F ZINC001243073052 984508648 /nfs/dbraw/zinc/50/86/48/984508648.db2.gz XLGXNSCEAVYBNL-UHFFFAOYSA-N 1 2 249.245 1.798 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NCc1scnc1C ZINC001443703201 984541532 /nfs/dbraw/zinc/54/15/32/984541532.db2.gz YDHOVZGOWJHOBC-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NCc1scnc1C ZINC001443703201 984541534 /nfs/dbraw/zinc/54/15/34/984541534.db2.gz YDHOVZGOWJHOBC-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO O=C(CCCC(=O)C1CC1)NCCc1[nH]cc[nH+]1 ZINC001444202388 984549599 /nfs/dbraw/zinc/54/95/99/984549599.db2.gz WVJQCUOZNOLHRY-UHFFFAOYSA-N 1 2 249.314 1.218 20 0 BDADLO Cc1ccc(CN(C)Cc2ncccn2)c(N)[nH+]1 ZINC000718911130 984563686 /nfs/dbraw/zinc/56/36/86/984563686.db2.gz RTUSNVACKZSSSQ-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CCC2)C1 ZINC001445859016 984618330 /nfs/dbraw/zinc/61/83/30/984618330.db2.gz YXYPQKWOMRAMGV-GHMZBOCLSA-N 1 2 245.326 1.536 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1cnc(C3CC3)o1)C2 ZINC001275754064 984637338 /nfs/dbraw/zinc/63/73/38/984637338.db2.gz JSOQGDCWUPMMBW-UHFFFAOYSA-N 1 2 247.298 1.082 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1cnc(C3CC3)o1)C2 ZINC001275754064 984637373 /nfs/dbraw/zinc/63/73/73/984637373.db2.gz JSOQGDCWUPMMBW-UHFFFAOYSA-N 1 2 247.298 1.082 20 0 BDADLO COc1cccc(C[NH+]2CC3(CCN3C)C2)c1 ZINC001275805045 984658777 /nfs/dbraw/zinc/65/87/77/984658777.db2.gz BCGGOPXMYFSSKI-UHFFFAOYSA-N 1 2 232.327 1.585 20 0 BDADLO COc1cc(C)cc(C[NH+]2CC3(CCN3C)C2)c1 ZINC001275802613 984662530 /nfs/dbraw/zinc/66/25/30/984662530.db2.gz IAYZZYATYHQTHR-UHFFFAOYSA-N 1 2 246.354 1.894 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC=CCC1 ZINC001446848322 984693458 /nfs/dbraw/zinc/69/34/58/984693458.db2.gz MSEQCOCAOIFWGV-UHFFFAOYSA-N 1 2 205.261 1.049 20 0 BDADLO CCc1nn(C)cc1NC(=O)Cc1[nH]c[nH+]c1C ZINC001447028075 984730593 /nfs/dbraw/zinc/73/05/93/984730593.db2.gz RSMGBCMYKDYVBY-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO CC[N@@H+](CCSC)Cc1cc(C)[nH]n1 ZINC001326611816 984813093 /nfs/dbraw/zinc/81/30/93/984813093.db2.gz LTKGMPKBJOHPOP-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO CC[N@H+](CCSC)Cc1cc(C)[nH]n1 ZINC001326611816 984813089 /nfs/dbraw/zinc/81/30/89/984813089.db2.gz LTKGMPKBJOHPOP-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO Cc1nc(N(C)CCCNC(=O)C2CC2)cc[nH+]1 ZINC001095457059 984813659 /nfs/dbraw/zinc/81/36/59/984813659.db2.gz JMCVZWGDRUZHFF-UHFFFAOYSA-N 1 2 248.330 1.138 20 0 BDADLO C=C/C=C/CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001449961631 984851838 /nfs/dbraw/zinc/85/18/38/984851838.db2.gz AROJSOGWBVBYOE-FSIBCCDJSA-N 1 2 217.272 1.056 20 0 BDADLO O=C(/C=C/c1ccco1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001449966163 984853236 /nfs/dbraw/zinc/85/32/36/984853236.db2.gz DXJHEAIAVSCWIF-FSIBCCDJSA-N 1 2 243.266 1.230 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC001450008165 984856634 /nfs/dbraw/zinc/85/66/34/984856634.db2.gz YDTOWQMYPVNMFJ-GXSJLCMTSA-N 1 2 219.288 1.455 20 0 BDADLO O[C@@H](C[N@@H+]1CCC[C@H]1C(F)F)C1(O)CCCC1 ZINC000930129815 984944982 /nfs/dbraw/zinc/94/49/82/984944982.db2.gz SZGODNRXSOMABT-UWVGGRQHSA-N 1 2 249.301 1.382 20 0 BDADLO O[C@@H](C[N@H+]1CCC[C@H]1C(F)F)C1(O)CCCC1 ZINC000930129815 984944995 /nfs/dbraw/zinc/94/49/95/984944995.db2.gz SZGODNRXSOMABT-UWVGGRQHSA-N 1 2 249.301 1.382 20 0 BDADLO COc1c(F)nccc1-c1ccc[nH+]c1N ZINC001243472734 985017022 /nfs/dbraw/zinc/01/70/22/985017022.db2.gz ORQYVYDHIBXMKM-UHFFFAOYSA-N 1 2 219.219 1.874 20 0 BDADLO Nc1[nH+]cccc1-c1cccn2ncnc12 ZINC001243473424 985026270 /nfs/dbraw/zinc/02/62/70/985026270.db2.gz ASCOBNODXPGSMI-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO CCn1cc(-c2ccc[nH+]c2N)ccc1=O ZINC001243476077 985028915 /nfs/dbraw/zinc/02/89/15/985028915.db2.gz OBRJKKCBYOHYDF-UHFFFAOYSA-N 1 2 215.256 1.512 20 0 BDADLO Cc1nc2c(-c3ccc[nH+]c3N)cccn2n1 ZINC001243474828 985028946 /nfs/dbraw/zinc/02/89/46/985028946.db2.gz SHAFJHNLKCJDGE-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(=O)[nH]n1 ZINC001257444286 985031099 /nfs/dbraw/zinc/03/10/99/985031099.db2.gz MQWAUNUVCUDDQZ-MRVPVSSYSA-N 1 2 248.261 1.567 20 0 BDADLO CC(C)n1ncc(-c2ccc[nH+]c2N)cc1=O ZINC001243477951 985040658 /nfs/dbraw/zinc/04/06/58/985040658.db2.gz UDVNZTGIBBRBPO-UHFFFAOYSA-N 1 2 230.271 1.468 20 0 BDADLO COC(C[NH2+][C@H](C)c1nnc(C)s1)OC ZINC000380202453 985071615 /nfs/dbraw/zinc/07/16/15/985071615.db2.gz UTUOLRVYGVFAIU-ZCFIWIBFSA-N 1 2 231.321 1.116 20 0 BDADLO CCC[C@@H](C)CC[C@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257464981 985078243 /nfs/dbraw/zinc/07/82/43/985078243.db2.gz XTPMJEFASAJEIS-GRYCIOLGSA-N 1 2 245.363 1.715 20 0 BDADLO CCc1[nH]c(CNC(=O)CC(C)(F)F)c[nH+]1 ZINC001456144431 985112803 /nfs/dbraw/zinc/11/28/03/985112803.db2.gz WJYLTZVRZWPKQA-UHFFFAOYSA-N 1 2 231.246 1.634 20 0 BDADLO CCc1[nH]cc(CNC(=O)CC(C)(F)F)[nH+]1 ZINC001456144431 985112811 /nfs/dbraw/zinc/11/28/11/985112811.db2.gz WJYLTZVRZWPKQA-UHFFFAOYSA-N 1 2 231.246 1.634 20 0 BDADLO C/C=C(/C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456143917 985118771 /nfs/dbraw/zinc/11/87/71/985118771.db2.gz UNYNKVWQCGBZIK-YWEYNIOJSA-N 1 2 207.277 1.555 20 0 BDADLO CC=C(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456143917 985118776 /nfs/dbraw/zinc/11/87/76/985118776.db2.gz UNYNKVWQCGBZIK-YWEYNIOJSA-N 1 2 207.277 1.555 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)co1 ZINC001456345549 985133352 /nfs/dbraw/zinc/13/33/52/985133352.db2.gz QLDGRTNRBCUDCT-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)co1 ZINC001456345549 985133356 /nfs/dbraw/zinc/13/33/56/985133356.db2.gz QLDGRTNRBCUDCT-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Nc1ccc(-c2ccc(CCO)cc2)c[nH+]1 ZINC001243847393 985472252 /nfs/dbraw/zinc/47/22/52/985472252.db2.gz WEPROFTYGCLSCN-UHFFFAOYSA-N 1 2 214.268 1.866 20 0 BDADLO Nc1ncc(-c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001243875976 985543574 /nfs/dbraw/zinc/54/35/74/985543574.db2.gz VMWLKTSGIHLKFV-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO CC[N@H+](C)[C@H](COC1CCC1)C(=O)OC ZINC001459773862 985609511 /nfs/dbraw/zinc/60/95/11/985609511.db2.gz SQXXAHBLXYOTAT-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+](C)[C@H](COC1CCC1)C(=O)OC ZINC001459773862 985609533 /nfs/dbraw/zinc/60/95/33/985609533.db2.gz SQXXAHBLXYOTAT-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CN(C)c1nccnc1C1=C[NH2+]CCC1 ZINC001243948232 985630254 /nfs/dbraw/zinc/63/02/54/985630254.db2.gz WDAUNSRBWDIUJP-UHFFFAOYSA-N 1 2 204.277 1.267 20 0 BDADLO CC(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C1 ZINC001490860220 985638699 /nfs/dbraw/zinc/63/86/99/985638699.db2.gz BBYLDJMSKPJVIU-LJGSYFOKSA-N 1 2 242.216 1.144 20 0 BDADLO C[C@@H]1C(=O)Nc2ncnc(C3=C[NH2+]CCC3)c21 ZINC001243950146 985643984 /nfs/dbraw/zinc/64/39/84/985643984.db2.gz WEWRRLVTBJIAMJ-ZETCQYMHSA-N 1 2 230.271 1.257 20 0 BDADLO Nc1cc(C[N@@H+]2CCOCC23CC3)ccn1 ZINC001460022991 985702532 /nfs/dbraw/zinc/70/25/32/985702532.db2.gz OKJOTEPLSUJSCO-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO Nc1cc(C[N@H+]2CCOCC23CC3)ccn1 ZINC001460022991 985702546 /nfs/dbraw/zinc/70/25/46/985702546.db2.gz OKJOTEPLSUJSCO-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CCC1 ZINC001327553100 985704395 /nfs/dbraw/zinc/70/43/95/985704395.db2.gz DKNCYUZUCBWCDA-GZMMTYOYSA-N 1 2 239.319 1.844 20 0 BDADLO CNc1ncccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001138689862 985707526 /nfs/dbraw/zinc/70/75/26/985707526.db2.gz OVSKAJKXHYYSGF-SRVKXCTJSA-N 1 2 235.306 1.913 20 0 BDADLO CNc1ncccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001138689862 985707538 /nfs/dbraw/zinc/70/75/38/985707538.db2.gz OVSKAJKXHYYSGF-SRVKXCTJSA-N 1 2 235.306 1.913 20 0 BDADLO CNc1ncccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC001138689039 985707778 /nfs/dbraw/zinc/70/77/78/985707778.db2.gz CBLOVYBWKCCGAU-LBPRGKRZSA-N 1 2 239.294 1.030 20 0 BDADLO CNc1ncccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC001138689039 985707786 /nfs/dbraw/zinc/70/77/86/985707786.db2.gz CBLOVYBWKCCGAU-LBPRGKRZSA-N 1 2 239.294 1.030 20 0 BDADLO Nc1cc(-c2ccc3nc(N)ncc3c2)cc[nH+]1 ZINC001243994518 985731471 /nfs/dbraw/zinc/73/14/71/985731471.db2.gz MBDCJGUKCMRSBR-UHFFFAOYSA-N 1 2 237.266 1.856 20 0 BDADLO CS(C)(=O)=NCC1CC[NH+](CCF)CC1 ZINC001460807308 985902281 /nfs/dbraw/zinc/90/22/81/985902281.db2.gz LMURPGFXZPIBDV-UHFFFAOYSA-N 1 2 236.356 1.396 20 0 BDADLO CCOc1cc(Nc2cnc(N)nc2)cc(C)[nH+]1 ZINC001212960455 985958602 /nfs/dbraw/zinc/95/86/02/985958602.db2.gz NIGANBHTMYQBDJ-UHFFFAOYSA-N 1 2 245.286 1.905 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001460942189 985962034 /nfs/dbraw/zinc/96/20/34/985962034.db2.gz YIOJGALNUDYWMR-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](O)C[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001460942189 985962050 /nfs/dbraw/zinc/96/20/50/985962050.db2.gz YIOJGALNUDYWMR-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001138938926 986034959 /nfs/dbraw/zinc/03/49/59/986034959.db2.gz AKCGZUDHPHGRNT-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001138938926 986034975 /nfs/dbraw/zinc/03/49/75/986034975.db2.gz AKCGZUDHPHGRNT-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@]1(C)CCCCO1 ZINC001462157717 986297931 /nfs/dbraw/zinc/29/79/31/986297931.db2.gz MSLAICMFPGMRAI-LBPRGKRZSA-N 1 2 223.320 1.801 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@]1(C)CCCCO1 ZINC001462157717 986297942 /nfs/dbraw/zinc/29/79/42/986297942.db2.gz MSLAICMFPGMRAI-LBPRGKRZSA-N 1 2 223.320 1.801 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)[nH+]cn2)C[C@@H](C)O1 ZINC000689161158 986357528 /nfs/dbraw/zinc/35/75/28/986357528.db2.gz QLAUXNIQQIJJCZ-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)nc[nH+]2)C[C@@H](C)O1 ZINC000689161158 986357532 /nfs/dbraw/zinc/35/75/32/986357532.db2.gz QLAUXNIQQIJJCZ-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(C)c2F)C1 ZINC000383053244 986368533 /nfs/dbraw/zinc/36/85/33/986368533.db2.gz BALDOOVNTPMYGG-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO CCOc1cc(NC[C@H](O)C(C)C)cc[nH+]1 ZINC001253752972 986376057 /nfs/dbraw/zinc/37/60/57/986376057.db2.gz KJTXGSYWTNEPTK-NSHDSACASA-N 1 2 224.304 1.909 20 0 BDADLO CC[C@H](C)S(=O)(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001260751512 986461656 /nfs/dbraw/zinc/46/16/56/986461656.db2.gz FCCYETTUKSJNLH-VIFPVBQESA-N 1 2 248.392 1.187 20 0 BDADLO CC(C)[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001261755275 986528149 /nfs/dbraw/zinc/52/81/49/986528149.db2.gz AAGVHNUNVTVSSI-JQWIXIFHSA-N 1 2 235.331 1.995 20 0 BDADLO CCn1ccc(-c2cc[nH+]c(NC)c2)cc1=O ZINC001244976119 986560655 /nfs/dbraw/zinc/56/06/55/986560655.db2.gz GDYXWJFSDSGCCJ-UHFFFAOYSA-N 1 2 229.283 1.972 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)C(F)F ZINC001580119503 986577242 /nfs/dbraw/zinc/57/72/42/986577242.db2.gz TYNZDLBUWLFSPR-XGEHTFHBSA-N 1 2 232.274 1.274 20 0 BDADLO COC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001464359775 986626874 /nfs/dbraw/zinc/62/68/74/986626874.db2.gz PXVDPBWFGFXFES-GFCCVEGCSA-N 1 2 245.282 1.980 20 0 BDADLO CC(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001097665400 986629421 /nfs/dbraw/zinc/62/94/21/986629421.db2.gz GKRIUBKPIPFHHY-SECBINFHSA-N 1 2 248.330 1.599 20 0 BDADLO [NH3+]C[C@]12C[N@@H+](Cc3cnc[nH]3)C[C@@H]1CCCC2 ZINC001580256902 986708462 /nfs/dbraw/zinc/70/84/62/986708462.db2.gz ZOXQHRWNIHMLCE-WCQYABFASA-N 1 2 234.347 1.361 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CC(F)(CO)C3)n2c1 ZINC001137305006 986738578 /nfs/dbraw/zinc/73/85/78/986738578.db2.gz UZQWWKYNYDPVRW-UHFFFAOYSA-N 1 2 249.289 1.159 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2cccc(F)c21 ZINC001465873737 986745439 /nfs/dbraw/zinc/74/54/39/986745439.db2.gz KDOCZQIQGUIWBQ-GFCCVEGCSA-N 1 2 248.301 1.809 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2cccc(F)c21 ZINC001465873737 986745451 /nfs/dbraw/zinc/74/54/51/986745451.db2.gz KDOCZQIQGUIWBQ-GFCCVEGCSA-N 1 2 248.301 1.809 20 0 BDADLO COCn1cc(-c2cccc3[nH+]ccn32)cn1 ZINC001245220749 986745898 /nfs/dbraw/zinc/74/58/98/986745898.db2.gz NOEMALQJPVVFBW-UHFFFAOYSA-N 1 2 228.255 1.802 20 0 BDADLO Cc1cc(C)c(C[NH+]2CCN(C3CC3)CC2)[nH]1 ZINC001137321453 986758976 /nfs/dbraw/zinc/75/89/76/986758976.db2.gz MPCTUVZMKKAYDH-UHFFFAOYSA-N 1 2 233.359 1.912 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137333917 986799820 /nfs/dbraw/zinc/79/98/20/986799820.db2.gz YUKDPOPBNPJJQJ-UHFFFAOYSA-N 1 2 234.274 1.874 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cc[nH]n1 ZINC001245314466 986809130 /nfs/dbraw/zinc/80/91/30/986809130.db2.gz UBWDNNSGSRUJAN-UHFFFAOYSA-N 1 2 202.261 1.846 20 0 BDADLO CC[C@](C)(O)C[NH2+][C@@H](C)c1noc(C)n1 ZINC000393610425 986860583 /nfs/dbraw/zinc/86/05/83/986860583.db2.gz VDMNUKKVVIXQLG-XVKPBYJWSA-N 1 2 213.281 1.190 20 0 BDADLO Cn1ncc2cc(-c3ccc[nH+]c3N)cnc21 ZINC001245470723 986862746 /nfs/dbraw/zinc/86/27/46/986862746.db2.gz CEFDJQJGLLHZLU-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+]1CC ZINC001468050787 986881422 /nfs/dbraw/zinc/88/14/22/986881422.db2.gz KIQZTMREGOMQHN-WDEREUQCSA-N 1 2 238.331 1.051 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+]1CC ZINC001468050787 986881424 /nfs/dbraw/zinc/88/14/24/986881424.db2.gz KIQZTMREGOMQHN-WDEREUQCSA-N 1 2 238.331 1.051 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)ccn1 ZINC001137419834 986888331 /nfs/dbraw/zinc/88/83/31/986888331.db2.gz HKIMAMFCKVBWJS-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)ccn1 ZINC001137419834 986888335 /nfs/dbraw/zinc/88/83/35/986888335.db2.gz HKIMAMFCKVBWJS-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO CNc1cc(-c2cnc(N)c(F)c2)cc[nH+]1 ZINC001245520736 986899419 /nfs/dbraw/zinc/89/94/19/986899419.db2.gz XZJZOKPSCFJEEX-UHFFFAOYSA-N 1 2 218.235 1.907 20 0 BDADLO COC(=O)c1cccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245535583 986908790 /nfs/dbraw/zinc/90/87/90/986908790.db2.gz FOENBRGCHOQISW-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1cc(-c2cc3cncnc3cn2)c[nH+]c1N ZINC001245536230 986913441 /nfs/dbraw/zinc/91/34/41/986913441.db2.gz SBXFGJCWYJBSHB-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO CC(=O)Nc1ccnc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245536326 986915351 /nfs/dbraw/zinc/91/53/51/986915351.db2.gz OWLOKJRCQRNJKV-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO Cc1cc(-c2ccc(N)nn2)c[nH+]c1N ZINC001245536907 986915425 /nfs/dbraw/zinc/91/54/25/986915425.db2.gz BIRVVLFRYXSYMA-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO Cc1cc(-c2cc(N)ncn2)c[nH+]c1N ZINC001245537833 986917167 /nfs/dbraw/zinc/91/71/67/986917167.db2.gz JAINERLPJNDWFW-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO Cc1cn2cc(-c3c[nH+]c(N)c(C)c3)cnc2n1 ZINC001245538073 986917607 /nfs/dbraw/zinc/91/76/07/986917607.db2.gz WCMZEXIUHOMGPJ-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2cnc3c(ccn3C)n2)c[nH+]c1N ZINC001245538121 986918917 /nfs/dbraw/zinc/91/89/17/986918917.db2.gz WRSJLWFRIUZCTP-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cc(-c2ccc(=O)n(C(C)C)n2)c[nH+]c1N ZINC001245540369 986923917 /nfs/dbraw/zinc/92/39/17/986923917.db2.gz QGCARINHBSXMPY-UHFFFAOYSA-N 1 2 244.298 1.777 20 0 BDADLO Cc1cc(-c2cncc3nncn32)c[nH+]c1N ZINC001245540132 986926073 /nfs/dbraw/zinc/92/60/73/986926073.db2.gz ONKNADWNVKRGBK-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO Cc1cc(-c2cnc3c(c2)NCCO3)c[nH+]c1N ZINC001245548195 986939695 /nfs/dbraw/zinc/93/96/95/986939695.db2.gz DIGHDCOZIPJNCQ-UHFFFAOYSA-N 1 2 242.282 1.839 20 0 BDADLO COC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001255562783 987015652 /nfs/dbraw/zinc/01/56/52/987015652.db2.gz HDFULAGFASLOOK-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1[C@H](C)CC(F)(F)F ZINC001255661329 987053274 /nfs/dbraw/zinc/05/32/74/987053274.db2.gz BUXWOTLTTIYWOF-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H]1COCC[N@H+]1[C@H](C)CC(F)(F)F ZINC001255661329 987053286 /nfs/dbraw/zinc/05/32/86/987053286.db2.gz BUXWOTLTTIYWOF-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1cc(N(C)C(=O)Cn2cc[nH+]c2)ccc1O ZINC001471038535 987074465 /nfs/dbraw/zinc/07/44/65/987074465.db2.gz KSUXXJTXRQVEBB-UHFFFAOYSA-N 1 2 245.282 1.560 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccoc2)c[nH+]1 ZINC001472018920 987157863 /nfs/dbraw/zinc/15/78/63/987157863.db2.gz PDGUYBVEUQBQGW-UHFFFAOYSA-N 1 2 219.244 1.495 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccoc2)[nH+]1 ZINC001472018920 987157887 /nfs/dbraw/zinc/15/78/87/987157887.db2.gz PDGUYBVEUQBQGW-UHFFFAOYSA-N 1 2 219.244 1.495 20 0 BDADLO [NH3+]Cc1cc(=O)n(CCc2ccccc2)[nH]1 ZINC001245922443 987167528 /nfs/dbraw/zinc/16/75/28/987167528.db2.gz CPDPZKQESKMMQM-UHFFFAOYSA-N 1 2 217.272 1.290 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(CCc2c[nH]c[nH+]2)o1 ZINC001256649198 987265557 /nfs/dbraw/zinc/26/55/57/987265557.db2.gz WHPUJFBKPTUSKJ-APPZFPTMSA-N 1 2 218.260 1.701 20 0 BDADLO CCc1cn(CN(C)C(=O)OCCOC)c[nH+]1 ZINC001473086957 987328282 /nfs/dbraw/zinc/32/82/82/987328282.db2.gz FJTSCBCOYXDXSW-UHFFFAOYSA-N 1 2 241.291 1.118 20 0 BDADLO CCc1cn(CC(=O)[C@H]2CCOC2)c[nH+]1 ZINC001473086955 987330245 /nfs/dbraw/zinc/33/02/45/987330245.db2.gz FFSIEVKFIKYZFS-VIFPVBQESA-N 1 2 208.261 1.051 20 0 BDADLO CC[NH2+]Cc1noc(C2(C(F)F)CC2)n1 ZINC000697598335 987358636 /nfs/dbraw/zinc/35/86/36/987358636.db2.gz XOFKBNMNGZBMTL-UHFFFAOYSA-N 1 2 217.219 1.476 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001116287438 987504808 /nfs/dbraw/zinc/50/48/08/987504808.db2.gz JOMXKQBMLGYBSE-BDAKNGLRSA-N 1 2 243.257 1.748 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001116287441 987506546 /nfs/dbraw/zinc/50/65/46/987506546.db2.gz JOMXKQBMLGYBSE-RKDXNWHRSA-N 1 2 243.257 1.748 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)Cc1nccs1 ZINC001116333443 987519171 /nfs/dbraw/zinc/51/91/71/987519171.db2.gz IULISUGMSMXNRW-OAHLLOKOSA-N 1 2 241.341 1.326 20 0 BDADLO Cc1cccnc1[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC001473879496 987598206 /nfs/dbraw/zinc/59/82/06/987598206.db2.gz JFMNYFOMFDXOOV-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CN1 ZINC001246219940 987616095 /nfs/dbraw/zinc/61/60/95/987616095.db2.gz AXNKQBXHMSTVSR-WUHRBBMRSA-N 1 2 226.364 1.268 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3nsnc32)no1 ZINC001474033063 987634828 /nfs/dbraw/zinc/63/48/28/987634828.db2.gz ZJKCYLBDWSZGFE-UHFFFAOYSA-N 1 2 246.295 1.969 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cccnc2C)[nH]1 ZINC001474097429 987643806 /nfs/dbraw/zinc/64/38/06/987643806.db2.gz OBGFOFDUXQWBHC-SNVBAGLBSA-N 1 2 245.330 1.921 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccn(C)n2)n(C)n1 ZINC001474175790 987656650 /nfs/dbraw/zinc/65/66/50/987656650.db2.gz WGLUUZLSJGFCIO-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)nc1)c1nncn1C ZINC001116670677 987666436 /nfs/dbraw/zinc/66/64/36/987666436.db2.gz ULTQRNSEWHCRKF-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO CC1=CCC[N@H+](Cc2nc(CO)cs2)C1 ZINC001474478789 987733955 /nfs/dbraw/zinc/73/39/55/987733955.db2.gz HVCYKYFKVKJPIQ-UHFFFAOYSA-N 1 2 224.329 1.787 20 0 BDADLO CC1=CCC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001474478789 987733960 /nfs/dbraw/zinc/73/39/60/987733960.db2.gz HVCYKYFKVKJPIQ-UHFFFAOYSA-N 1 2 224.329 1.787 20 0 BDADLO c1nc2cnccn2c1C[N@@H+]1CC[C@@]12CCOC2 ZINC001474585965 987771292 /nfs/dbraw/zinc/77/12/92/987771292.db2.gz IDYVRSPCXDZSOK-ZDUSSCGKSA-N 1 2 244.298 1.094 20 0 BDADLO c1nc2cnccn2c1C[N@H+]1CC[C@@]12CCOC2 ZINC001474585965 987771296 /nfs/dbraw/zinc/77/12/96/987771296.db2.gz IDYVRSPCXDZSOK-ZDUSSCGKSA-N 1 2 244.298 1.094 20 0 BDADLO Cc1cc(C)n(CCc2nnc(C[NH+](C)C)o2)n1 ZINC001117260554 987812551 /nfs/dbraw/zinc/81/25/51/987812551.db2.gz MIZSHVZAUXDOFW-UHFFFAOYSA-N 1 2 249.318 1.187 20 0 BDADLO CN(C)c1[nH+]cccc1C=Cc1n[nH]cc1C=O ZINC001117392389 987829878 /nfs/dbraw/zinc/82/98/78/987829878.db2.gz QOOOEDCCZMZEKG-AATRIKPKSA-N 1 2 242.282 1.854 20 0 BDADLO CN(C)c1[nH+]cccc1C=Cc1n[nH]cc1C=O ZINC001117392390 987830033 /nfs/dbraw/zinc/83/00/33/987830033.db2.gz QOOOEDCCZMZEKG-WAYWQWQTSA-N 1 2 242.282 1.854 20 0 BDADLO CN(C)c1[nH+]ccc2cc(NC(N)=O)ccc21 ZINC001476657247 987845782 /nfs/dbraw/zinc/84/57/82/987845782.db2.gz UPBRYXDQAMEZJL-UHFFFAOYSA-N 1 2 230.271 1.791 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCCC1(F)F)n1cc[nH+]c1 ZINC001117673246 987860463 /nfs/dbraw/zinc/86/04/63/987860463.db2.gz GGAQVHYVQNBPOZ-RKDXNWHRSA-N 1 2 243.257 1.748 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC/C=C\C1CC1 ZINC001117788541 987915196 /nfs/dbraw/zinc/91/51/96/987915196.db2.gz YWSXXSHQNYYGAF-QUCGXOGASA-N 1 2 248.330 1.537 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001117807532 987928583 /nfs/dbraw/zinc/92/85/83/987928583.db2.gz WPNJKDCVJIFWOL-IJLUTSLNSA-N 1 2 235.331 1.995 20 0 BDADLO Cc1cc(C)c(C(=O)OCCc2c[nH+]cn2C)[nH]1 ZINC001117803051 987930668 /nfs/dbraw/zinc/93/06/68/987930668.db2.gz NFZYIYPOXXWXBY-UHFFFAOYSA-N 1 2 247.298 1.765 20 0 BDADLO Cc1nn(C)c(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C ZINC001321614554 987953153 /nfs/dbraw/zinc/95/31/53/987953153.db2.gz VACADCLQSLKNRD-SNVBAGLBSA-N 1 2 247.302 1.433 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC001118161162 988068575 /nfs/dbraw/zinc/06/85/75/988068575.db2.gz SQXHBYKSEHJYBZ-CHWFTXMASA-N 1 2 219.288 1.359 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCCF)C1CC1 ZINC001118289770 988199428 /nfs/dbraw/zinc/19/94/28/988199428.db2.gz FLQRGBYHNIQIRW-SECBINFHSA-N 1 2 203.257 1.277 20 0 BDADLO CC1(NC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001322366125 988226523 /nfs/dbraw/zinc/22/65/23/988226523.db2.gz JZUKONUSZCWJAQ-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H](C(=O)N1CCC[C@H]1C)n1cc[nH+]c1 ZINC001322398083 988236964 /nfs/dbraw/zinc/23/69/64/988236964.db2.gz UTQOTZHBUJICOE-NXEZZACHSA-N 1 2 207.277 1.455 20 0 BDADLO C[C@@H](C(=O)N1CC[C@H](C2CC2)C1)n1cc[nH+]c1 ZINC001323191287 988473990 /nfs/dbraw/zinc/47/39/90/988473990.db2.gz MJNCZGYYOXVNKQ-JQWIXIFHSA-N 1 2 233.315 1.703 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001118610741 988477862 /nfs/dbraw/zinc/47/78/62/988477862.db2.gz MTHADENKKQIQBF-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO CCCCCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001498920755 988512372 /nfs/dbraw/zinc/51/23/72/988512372.db2.gz OJQYILUIIZEAMX-NSHDSACASA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001498920755 988512381 /nfs/dbraw/zinc/51/23/81/988512381.db2.gz OJQYILUIIZEAMX-NSHDSACASA-N 1 2 230.327 1.727 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ccnn1C)c1nncn1C ZINC001323546712 988549790 /nfs/dbraw/zinc/54/97/90/988549790.db2.gz VWNFZSZYHDMWMR-NSHDSACASA-N 1 2 248.334 1.036 20 0 BDADLO C[C@@H](C(=O)N(C)C[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC001118798262 988606335 /nfs/dbraw/zinc/60/63/35/988606335.db2.gz LWTUKPNTDINSBA-WDEREUQCSA-N 1 2 235.331 1.949 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1nccnc1C ZINC001118808359 988615615 /nfs/dbraw/zinc/61/56/15/988615615.db2.gz RDFFZZLKKHOVAV-JTQLQIEISA-N 1 2 246.318 1.247 20 0 BDADLO c1cn(Cc2nc([C@H]3CCCO3)no2)c[nH+]1 ZINC001323997836 988665183 /nfs/dbraw/zinc/66/51/83/988665183.db2.gz UGQYRYUYQYAOMN-MRVPVSSYSA-N 1 2 220.232 1.166 20 0 BDADLO O=C([C@@H]1CCCOCC1)N1CCn2c[nH+]cc2C1 ZINC001324013500 988667814 /nfs/dbraw/zinc/66/78/14/988667814.db2.gz AONWTYHFYCBOLW-LLVKDONJSA-N 1 2 249.314 1.042 20 0 BDADLO CCCNc1cc(N2C[C@H](O)C3(CC3)C2)nc[nH+]1 ZINC001118990700 988775622 /nfs/dbraw/zinc/77/56/22/988775622.db2.gz QLUJUGNFFZLXLH-JTQLQIEISA-N 1 2 248.330 1.260 20 0 BDADLO CCCNc1cc(N2C[C@H](O)C3(CC3)C2)[nH+]cn1 ZINC001118990700 988775630 /nfs/dbraw/zinc/77/56/30/988775630.db2.gz QLUJUGNFFZLXLH-JTQLQIEISA-N 1 2 248.330 1.260 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2N(C)C)CCO1 ZINC001324341991 988809471 /nfs/dbraw/zinc/80/94/71/988809471.db2.gz FFLJOMVCYRRPNZ-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2N(C)C)CCO1 ZINC001324341991 988809474 /nfs/dbraw/zinc/80/94/74/988809474.db2.gz FFLJOMVCYRRPNZ-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO CCCCN(CCO)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324451508 988845431 /nfs/dbraw/zinc/84/54/31/988845431.db2.gz VSIZBAZSLLCPRQ-LLVKDONJSA-N 1 2 239.319 1.065 20 0 BDADLO Cc1cccc2c1[nH+]c(CCCO)n2C ZINC001247036545 988849106 /nfs/dbraw/zinc/84/91/06/988849106.db2.gz UVPQLNFLMVFPDY-UHFFFAOYSA-N 1 2 204.273 1.807 20 0 BDADLO Cn1c[nH+]c(Cc2nc(-c3ccccn3)no2)c1 ZINC001247245655 988853876 /nfs/dbraw/zinc/85/38/76/988853876.db2.gz ZJLYHKBTOQSDLU-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO Cc1ccoc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001324579603 988881616 /nfs/dbraw/zinc/88/16/16/988881616.db2.gz CPAIIHMYVPCSCM-JTQLQIEISA-N 1 2 233.271 1.662 20 0 BDADLO CC(C)(C(=O)N1CC[C@H](CF)C1)c1c[nH+]c[nH]1 ZINC001119283071 988885768 /nfs/dbraw/zinc/88/57/68/988885768.db2.gz OBYCWXVUARXUKD-SECBINFHSA-N 1 2 239.294 1.505 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCSC1 ZINC001514643589 988913487 /nfs/dbraw/zinc/91/34/87/988913487.db2.gz BBKGDJGHPFGEMQ-UHFFFAOYSA-N 1 2 247.323 1.871 20 0 BDADLO C[C@H](c1nc([C@@]2(C)CCCO2)no1)n1cc[nH+]c1 ZINC001324702759 988939807 /nfs/dbraw/zinc/93/98/07/988939807.db2.gz JPQPMDYYEKCRDS-BXKDBHETSA-N 1 2 248.286 1.901 20 0 BDADLO CCc1cccc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)c1 ZINC001247617742 988954708 /nfs/dbraw/zinc/95/47/08/988954708.db2.gz XVVNJMNNIPFXGT-KCJUWKMLSA-N 1 2 247.298 1.680 20 0 BDADLO CCC[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)OC ZINC001324744850 988959929 /nfs/dbraw/zinc/95/99/29/988959929.db2.gz COQZXHGQOXFMOC-WDEREUQCSA-N 1 2 239.319 1.375 20 0 BDADLO O[C@H]1CN(c2cc[nH+]cc2F)CC12CC2 ZINC001119339990 988970256 /nfs/dbraw/zinc/97/02/56/988970256.db2.gz IEQKXWBXLZDDDB-JTQLQIEISA-N 1 2 208.236 1.182 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC2CCC1CC2 ZINC001324911489 989021741 /nfs/dbraw/zinc/02/17/41/989021741.db2.gz KURDKXCTSBRPRV-UHFFFAOYSA-N 1 2 233.315 1.743 20 0 BDADLO CCCN(CC(F)F)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324980119 989037159 /nfs/dbraw/zinc/03/71/59/989037159.db2.gz SQMAXFPCKAXVEU-SECBINFHSA-N 1 2 245.273 1.948 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC001247963325 989052706 /nfs/dbraw/zinc/05/27/06/989052706.db2.gz MSMVVFURSQLKDP-SCZZXKLOSA-N 1 2 233.271 1.771 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(F)nc2)[nH]1 ZINC001119449203 989080934 /nfs/dbraw/zinc/08/09/34/989080934.db2.gz PVFFNICSDDOUDO-SSDOTTSWSA-N 1 2 235.266 1.498 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](O)[C@H](C)C2)[nH+]1 ZINC001515657873 989094277 /nfs/dbraw/zinc/09/42/77/989094277.db2.gz BIWKDIDMIKJOJY-KCJUWKMLSA-N 1 2 224.279 1.736 20 0 BDADLO CCc1ccc(N2CC[C@@](O)(C3CC3)C2)[nH+]c1 ZINC001515702120 989104376 /nfs/dbraw/zinc/10/43/76/989104376.db2.gz NOACFHTYHLRCKY-AWEZNQCLSA-N 1 2 232.327 1.995 20 0 BDADLO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001325203878 989119015 /nfs/dbraw/zinc/11/90/15/989119015.db2.gz LXNFLDRZPUIYIA-MVWJERBFSA-N 1 2 243.347 1.587 20 0 BDADLO CCc1ccc(N2C[C@@H](C)[C@H](C(=O)OC)C2)[nH+]c1 ZINC001515853415 989125511 /nfs/dbraw/zinc/12/55/11/989125511.db2.gz SNIPZFPOWCFWKX-ZYHUDNBSSA-N 1 2 248.326 1.889 20 0 BDADLO CCn1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001119521727 989126338 /nfs/dbraw/zinc/12/63/38/989126338.db2.gz ZEJAVEKZQGUUMB-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO N=C1C=CC(F)=C(N)[N@H+]1c1cc2cccnc2[nH]1 ZINC001248698636 989130146 /nfs/dbraw/zinc/13/01/46/989130146.db2.gz CRJUGPWTZNGGFY-UHFFFAOYSA-N 1 2 243.245 1.554 20 0 BDADLO N=C1C=CC(F)=C(N)[N@@H+]1c1cc2cccnc2[nH]1 ZINC001248698636 989130152 /nfs/dbraw/zinc/13/01/52/989130152.db2.gz CRJUGPWTZNGGFY-UHFFFAOYSA-N 1 2 243.245 1.554 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)[C@H](C)CCO1 ZINC001516274884 989145661 /nfs/dbraw/zinc/14/56/61/989145661.db2.gz KEUDKABHLPFHPR-RKDXNWHRSA-N 1 2 222.292 1.063 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccc(=O)n2C)CCC1=O ZINC001248805585 989156864 /nfs/dbraw/zinc/15/68/64/989156864.db2.gz ZJQZGODZLFQHNP-NSHDSACASA-N 1 2 248.326 1.186 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccc(=O)n2C)CCC1=O ZINC001248805585 989156866 /nfs/dbraw/zinc/15/68/66/989156866.db2.gz ZJQZGODZLFQHNP-NSHDSACASA-N 1 2 248.326 1.186 20 0 BDADLO c1cc2n(n1)CC[N@@H+](Cc1ccc3n1CCC3)C2 ZINC001248824875 989184913 /nfs/dbraw/zinc/18/49/13/989184913.db2.gz GLXLZELBWMWBTR-UHFFFAOYSA-N 1 2 242.326 1.647 20 0 BDADLO c1cc2n(n1)CC[N@H+](Cc1ccc3n1CCC3)C2 ZINC001248824875 989184920 /nfs/dbraw/zinc/18/49/20/989184920.db2.gz GLXLZELBWMWBTR-UHFFFAOYSA-N 1 2 242.326 1.647 20 0 BDADLO COCC[N@H+](Cc1nonc1C)C(C)C ZINC001248859039 989191720 /nfs/dbraw/zinc/19/17/20/989191720.db2.gz WBXZAOXUNVMWKF-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COCC[N@@H+](Cc1nonc1C)C(C)C ZINC001248859039 989191733 /nfs/dbraw/zinc/19/17/33/989191733.db2.gz WBXZAOXUNVMWKF-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](O)C3)nc2c1 ZINC001248839517 989194271 /nfs/dbraw/zinc/19/42/71/989194271.db2.gz MJBXSJFJINDLSQ-LLVKDONJSA-N 1 2 245.326 1.828 20 0 BDADLO Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](O)C3)nc2c1 ZINC001248839517 989194278 /nfs/dbraw/zinc/19/42/78/989194278.db2.gz MJBXSJFJINDLSQ-LLVKDONJSA-N 1 2 245.326 1.828 20 0 BDADLO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](O)C3)[nH]c2c1 ZINC001248839517 989194288 /nfs/dbraw/zinc/19/42/88/989194288.db2.gz MJBXSJFJINDLSQ-LLVKDONJSA-N 1 2 245.326 1.828 20 0 BDADLO Cc1ccc2nc(C[N@H+]3CCC[C@@H](O)C3)[nH]c2c1 ZINC001248839517 989194298 /nfs/dbraw/zinc/19/42/98/989194298.db2.gz MJBXSJFJINDLSQ-LLVKDONJSA-N 1 2 245.326 1.828 20 0 BDADLO O=C(NC/C=C/C1CC1)N1CCn2c[nH+]cc2C1 ZINC001325486042 989194448 /nfs/dbraw/zinc/19/44/48/989194448.db2.gz TWEKTNMOBCTOND-OWOJBTEDSA-N 1 2 246.314 1.375 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2nonc2C)C1 ZINC001248858993 989197452 /nfs/dbraw/zinc/19/74/52/989197452.db2.gz SFKQJEZZKYRLFR-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC001248858993 989197456 /nfs/dbraw/zinc/19/74/56/989197456.db2.gz SFKQJEZZKYRLFR-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001248856692 989198304 /nfs/dbraw/zinc/19/83/04/989198304.db2.gz NQZKWACCHYETOT-VIFPVBQESA-N 1 2 249.236 1.947 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001248856692 989198310 /nfs/dbraw/zinc/19/83/10/989198310.db2.gz NQZKWACCHYETOT-VIFPVBQESA-N 1 2 249.236 1.947 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(O)cc1F)n1cc[nH+]c1 ZINC001325750143 989253540 /nfs/dbraw/zinc/25/35/40/989253540.db2.gz WPZHZZWSPKPRPR-QMMMGPOBSA-N 1 2 249.245 1.928 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1nocc1C ZINC001518049639 989276646 /nfs/dbraw/zinc/27/66/46/989276646.db2.gz WJWZCUWMKHKESH-UHFFFAOYSA-N 1 2 235.243 1.556 20 0 BDADLO Cc1coc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1 ZINC001518426040 989305718 /nfs/dbraw/zinc/30/57/18/989305718.db2.gz JJBOEOMNRVUQLN-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO Cc1coc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1 ZINC001518426040 989305727 /nfs/dbraw/zinc/30/57/27/989305727.db2.gz JJBOEOMNRVUQLN-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO C[C@@H]([NH2+]Cc1nccs1)c1cnnn1C ZINC001119690317 989340383 /nfs/dbraw/zinc/34/03/83/989340383.db2.gz RGNVTVLPQWGKIU-SSDOTTSWSA-N 1 2 223.305 1.122 20 0 BDADLO Cc1ncccc1C[NH2+][C@H](C)c1cc(CO)on1 ZINC001119709021 989351883 /nfs/dbraw/zinc/35/18/83/989351883.db2.gz LUDJSRHKSSIPDY-SNVBAGLBSA-N 1 2 247.298 1.721 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)C1=COCC1 ZINC001519060754 989373956 /nfs/dbraw/zinc/37/39/56/989373956.db2.gz OEDJTZATIZXULA-UHFFFAOYSA-N 1 2 236.271 1.200 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001519699259 989444087 /nfs/dbraw/zinc/44/40/87/989444087.db2.gz CAZMCJQKFRJYCA-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CNc1cc(N2CC[C@@H]3OCCC[C@H]3C2)nc[nH+]1 ZINC001119947742 989500516 /nfs/dbraw/zinc/50/05/16/989500516.db2.gz WTTOZBNVCCJLRH-QWRGUYRKSA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CC[C@@H]3OCCC[C@H]3C2)[nH+]cn1 ZINC001119947742 989500527 /nfs/dbraw/zinc/50/05/27/989500527.db2.gz WTTOZBNVCCJLRH-QWRGUYRKSA-N 1 2 248.330 1.524 20 0 BDADLO c1nnc(C[N@@H+]2CCCSC[C@H]2C2CC2)[nH]1 ZINC001119956401 989504121 /nfs/dbraw/zinc/50/41/21/989504121.db2.gz IXHQYSJTPXHJEI-JTQLQIEISA-N 1 2 238.360 1.522 20 0 BDADLO c1nnc(C[N@H+]2CCCSC[C@H]2C2CC2)[nH]1 ZINC001119956401 989504143 /nfs/dbraw/zinc/50/41/43/989504143.db2.gz IXHQYSJTPXHJEI-JTQLQIEISA-N 1 2 238.360 1.522 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC001520169861 989518866 /nfs/dbraw/zinc/51/88/66/989518866.db2.gz VUSXDZZIMQYSNB-MNOVXSKESA-N 1 2 233.315 1.364 20 0 BDADLO CCn1cc(C[NH+]2CC3(C2)CCCC3)nn1 ZINC001119969656 989521029 /nfs/dbraw/zinc/52/10/29/989521029.db2.gz IIFAXFLFVWJXGU-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)O)C1CC1 ZINC001326388781 989539773 /nfs/dbraw/zinc/53/97/73/989539773.db2.gz VOPRRYJNGFNGFL-JTQLQIEISA-N 1 2 229.320 1.079 20 0 BDADLO CSCC(C)(C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001119998980 989551437 /nfs/dbraw/zinc/55/14/37/989551437.db2.gz DFIQZVGZFXEBIN-SECBINFHSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCCSC1)n1cc[nH+]c1 ZINC001326450821 989564880 /nfs/dbraw/zinc/56/48/80/989564880.db2.gz CTVFZEIDCAJIQU-VHSXEESVSA-N 1 2 239.344 1.456 20 0 BDADLO COCCN(CC(C)C)c1nccn2c[nH+]cc12 ZINC001120024042 989567558 /nfs/dbraw/zinc/56/75/58/989567558.db2.gz AINLLBWHULSQTJ-UHFFFAOYSA-N 1 2 248.330 1.838 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)ncn2)o1 ZINC001120037688 989570794 /nfs/dbraw/zinc/57/07/94/989570794.db2.gz JHNIYAQVSIQTJW-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3COC[C@H]3C2)nc[nH+]1 ZINC001120057866 989581252 /nfs/dbraw/zinc/58/12/52/989581252.db2.gz PEAVHZJUIKDDSK-GHMZBOCLSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3COC[C@H]3C2)[nH+]cn1 ZINC001120057866 989581261 /nfs/dbraw/zinc/58/12/61/989581261.db2.gz PEAVHZJUIKDDSK-GHMZBOCLSA-N 1 2 248.330 1.015 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ncon1 ZINC001326514226 989592092 /nfs/dbraw/zinc/59/20/92/989592092.db2.gz CRHCWCYQMZBPLZ-DTWKUNHWSA-N 1 2 249.274 1.095 20 0 BDADLO CCC[C@@H](C)CC(=O)NCCc1[nH+]ccn1C ZINC001520844183 989610307 /nfs/dbraw/zinc/61/03/07/989610307.db2.gz QYWAUUMVASQBMZ-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CCn1cccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001521646691 989765875 /nfs/dbraw/zinc/76/58/75/989765875.db2.gz SGDJGZNAVOVPLD-JTQLQIEISA-N 1 2 244.298 1.059 20 0 BDADLO C[C@@H]([NH2+]CC1(O)CCC1)c1noc(C(F)F)n1 ZINC001120596664 989769400 /nfs/dbraw/zinc/76/94/00/989769400.db2.gz XPGUGAMDUZLPIA-ZCFIWIBFSA-N 1 2 247.245 1.573 20 0 BDADLO CCOCC[C@@H](O)C[NH2+]CC(F)(F)C(F)F ZINC001120599972 989771219 /nfs/dbraw/zinc/77/12/19/989771219.db2.gz SCZWNYKFAYDECQ-SSDOTTSWSA-N 1 2 247.232 1.264 20 0 BDADLO CCO[C@@H](Cc1nnc(C[NH+](C)C)o1)C(C)C ZINC001326988103 989800096 /nfs/dbraw/zinc/80/00/96/989800096.db2.gz XOOWVNGDGBYRPA-JTQLQIEISA-N 1 2 241.335 1.735 20 0 BDADLO C[N@@H+]1CCN(C(=O)c2ccns2)C(C)(C)C1 ZINC001120628910 989802357 /nfs/dbraw/zinc/80/23/57/989802357.db2.gz WEPPBZFGYDAWMS-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO C[N@H+]1CCN(C(=O)c2ccns2)C(C)(C)C1 ZINC001120628910 989802358 /nfs/dbraw/zinc/80/23/58/989802358.db2.gz WEPPBZFGYDAWMS-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CCc1ncoc1C(=O)NCc1[nH]c[nH+]c1C ZINC001120705499 989838711 /nfs/dbraw/zinc/83/87/11/989838711.db2.gz WMBCLZFVBCZIBX-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO Cn1c[nH+]cc1C1CCN(C(=O)CC2CC2)CC1 ZINC001522587149 989865519 /nfs/dbraw/zinc/86/55/19/989865519.db2.gz WZPXQIWSKVFZGO-UHFFFAOYSA-N 1 2 247.342 1.926 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](CO)C[C@H](C)C2)[nH+]1 ZINC001120857894 989926903 /nfs/dbraw/zinc/92/69/03/989926903.db2.gz PCMYAFUIAGVJNJ-GXSJLCMTSA-N 1 2 238.306 1.984 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCOC2)c1 ZINC001120866986 989935075 /nfs/dbraw/zinc/93/50/75/989935075.db2.gz SPIPHEQMCKTWPK-SNVBAGLBSA-N 1 2 208.261 1.022 20 0 BDADLO Cc1cn2cc(NC(=O)[C@H]3C[C@H]3F)ccc2[nH+]1 ZINC001120973856 989995201 /nfs/dbraw/zinc/99/52/01/989995201.db2.gz GLOXPQBTTVGXDU-VHSXEESVSA-N 1 2 233.246 1.939 20 0 BDADLO O=C1OCC[C@]12CCN(c1cc[nH+]cc1F)C2 ZINC001120993886 989997840 /nfs/dbraw/zinc/99/78/40/989997840.db2.gz RMURTNIWSKRTFI-LBPRGKRZSA-N 1 2 236.246 1.364 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@@H]1C ZINC001121139037 990022809 /nfs/dbraw/zinc/02/28/09/990022809.db2.gz HNWPFDXRFPCABI-XVKPBYJWSA-N 1 2 204.273 1.715 20 0 BDADLO CS/C=C\C(=O)OCCCc1c[nH+]cn1C ZINC001525846898 990079336 /nfs/dbraw/zinc/07/93/36/990079336.db2.gz FXJYYWRDALAWGQ-ALCCZGGFSA-N 1 2 240.328 1.773 20 0 BDADLO Cc1[nH]ncc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001526089375 990111767 /nfs/dbraw/zinc/11/17/67/990111767.db2.gz YIZOGKRFQUPTJX-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1cc(F)ccc1O)C(F)F ZINC001122038229 990204702 /nfs/dbraw/zinc/20/47/02/990204702.db2.gz DRDHBMSASFUHOY-LURJTMIESA-N 1 2 248.204 1.452 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@H]1C=CCCC1)C(F)F ZINC001122119176 990245841 /nfs/dbraw/zinc/24/58/41/990245841.db2.gz QUBBOLGQKZDDAK-YUMQZZPRSA-N 1 2 218.247 1.194 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1cncs1 ZINC001122294078 990325825 /nfs/dbraw/zinc/32/58/25/990325825.db2.gz PTMRSSIUHKXQDM-PHDIDXHHSA-N 1 2 249.286 1.303 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)C2CC2)o1 ZINC001122437667 990387113 /nfs/dbraw/zinc/38/71/13/990387113.db2.gz PEUDKHBYHHJYOB-VIFPVBQESA-N 1 2 237.303 1.160 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CCOCC1CC1 ZINC001534712226 990455279 /nfs/dbraw/zinc/45/52/79/990455279.db2.gz GQRSOIYKMMACFC-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1cc(CNC(=O)C2=CCOCC2)cc(C)[nH+]1 ZINC001536667460 990489677 /nfs/dbraw/zinc/48/96/77/990489677.db2.gz TUKPFYGKYVGUPL-UHFFFAOYSA-N 1 2 246.310 1.661 20 0 BDADLO CCO[C@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123160780 990518719 /nfs/dbraw/zinc/51/87/19/990518719.db2.gz KURDAKMNPBRXEG-SNVBAGLBSA-N 1 2 240.303 1.586 20 0 BDADLO CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001538776055 990544629 /nfs/dbraw/zinc/54/46/29/990544629.db2.gz VZPFOCMGGMZQHQ-UHFFFAOYSA-N 1 2 231.255 1.328 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc(O)c1 ZINC001540390536 990614965 /nfs/dbraw/zinc/61/49/65/990614965.db2.gz JZIFMLYSJIZDGM-UHFFFAOYSA-N 1 2 217.228 1.297 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1c(C)nn(C)c1C ZINC001540537738 990625883 /nfs/dbraw/zinc/62/58/83/990625883.db2.gz HYNZUNUVKRRLJK-JTQLQIEISA-N 1 2 236.319 1.070 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1c(C)nn(C)c1C ZINC001540537738 990625886 /nfs/dbraw/zinc/62/58/86/990625886.db2.gz HYNZUNUVKRRLJK-JTQLQIEISA-N 1 2 236.319 1.070 20 0 BDADLO CNc1cc(CNC(=O)NOC(C)C)cc[nH+]1 ZINC001123694867 990647927 /nfs/dbraw/zinc/64/79/27/990647927.db2.gz NKZYOGZTRCGJFW-UHFFFAOYSA-N 1 2 238.291 1.263 20 0 BDADLO Cc1ccc(N(C)C(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001542685673 990670639 /nfs/dbraw/zinc/67/06/39/990670639.db2.gz SWYAGBGYZKHEHK-UHFFFAOYSA-N 1 2 229.283 1.924 20 0 BDADLO CCN(C(=O)NCc1cc[nH+]c(NC)c1)C1CC1 ZINC001123793377 990671207 /nfs/dbraw/zinc/67/12/07/990671207.db2.gz BXTSLJKVPWVIED-UHFFFAOYSA-N 1 2 248.330 1.817 20 0 BDADLO CN(C(=O)Cc1c[nH]c[nH+]1)c1nccs1 ZINC001542922752 990677772 /nfs/dbraw/zinc/67/77/72/990677772.db2.gz VYHNQPHZTWYHMM-UHFFFAOYSA-N 1 2 222.273 1.072 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(F)cn1 ZINC001544728326 990734739 /nfs/dbraw/zinc/73/47/39/990734739.db2.gz MHCBVSIBKVEXHM-UHFFFAOYSA-N 1 2 220.207 1.125 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C2CC=CC2)co1 ZINC001124058637 990745390 /nfs/dbraw/zinc/74/53/90/990745390.db2.gz UFHAIJWHTLMFLK-UHFFFAOYSA-N 1 2 249.314 1.319 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CSC1CC1 ZINC001545168025 990746024 /nfs/dbraw/zinc/74/60/24/990746024.db2.gz DEGOGXATPPAONS-UHFFFAOYSA-N 1 2 225.317 1.230 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@]12CCOC2 ZINC001124104437 990753117 /nfs/dbraw/zinc/75/31/17/990753117.db2.gz GTMXMRJXDPMKLD-ZDUSSCGKSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH+]ccn2C)nn1C ZINC001548671643 990776711 /nfs/dbraw/zinc/77/67/11/990776711.db2.gz DELBZGLVSHJKRA-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001548719036 990783858 /nfs/dbraw/zinc/78/38/58/990783858.db2.gz MHAWKZXPAOOZMI-RISCZKNCSA-N 1 2 249.358 1.904 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C)ccc1O ZINC001556081327 990804013 /nfs/dbraw/zinc/80/40/13/990804013.db2.gz RYYJSLQSZDFMFP-NSHDSACASA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C)ccc1O ZINC001556081327 990804014 /nfs/dbraw/zinc/80/40/14/990804014.db2.gz RYYJSLQSZDFMFP-NSHDSACASA-N 1 2 234.299 1.733 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1F ZINC001556699531 990843810 /nfs/dbraw/zinc/84/38/10/990843810.db2.gz VAYSZJJRAXXLEU-SECBINFHSA-N 1 2 245.257 1.377 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc(CCO)c1 ZINC001556999849 990869114 /nfs/dbraw/zinc/86/91/14/990869114.db2.gz HRXDUCDNGLNCSZ-UHFFFAOYSA-N 1 2 245.282 1.126 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)CO)c1F ZINC001138116200 990883814 /nfs/dbraw/zinc/88/38/14/990883814.db2.gz ZJMZHWGTYFWGBP-SECBINFHSA-N 1 2 245.269 1.058 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)C[C@@H](O)CO)c1F ZINC001138116200 990883815 /nfs/dbraw/zinc/88/38/15/990883815.db2.gz ZJMZHWGTYFWGBP-SECBINFHSA-N 1 2 245.269 1.058 20 0 BDADLO COc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1C ZINC001557495312 990894420 /nfs/dbraw/zinc/89/44/20/990894420.db2.gz NXFYZQZVVGLQDY-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO c1cc(C[NH+]2CC3(CCO3)C2)c2nccnc2c1 ZINC001138306540 990910658 /nfs/dbraw/zinc/91/06/58/990910658.db2.gz XHGLDAAWQYGWMP-UHFFFAOYSA-N 1 2 241.294 1.605 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cccc(O)c1F ZINC001558009174 990917445 /nfs/dbraw/zinc/91/74/45/990917445.db2.gz XTQSMKPKMWAJID-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO CCCSCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001558497151 990949056 /nfs/dbraw/zinc/94/90/56/990949056.db2.gz DARZWUKMDXOZPS-UHFFFAOYSA-N 1 2 241.360 1.732 20 0 BDADLO CCCSCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001558497151 990949057 /nfs/dbraw/zinc/94/90/57/990949057.db2.gz DARZWUKMDXOZPS-UHFFFAOYSA-N 1 2 241.360 1.732 20 0 BDADLO CC(C)[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC001558863579 990996962 /nfs/dbraw/zinc/99/69/62/990996962.db2.gz HJSPRRQAUOXPAO-JTQLQIEISA-N 1 2 247.298 1.081 20 0 BDADLO CCOc1cccc(C[NH+]2CC3(CCN3C)C2)c1 ZINC001276394766 990999919 /nfs/dbraw/zinc/99/99/19/990999919.db2.gz IFQIUEADJZAYLE-UHFFFAOYSA-N 1 2 246.354 1.975 20 0 BDADLO O=C(NCc1ccno1)c1cc2c[nH+]ccc2[nH]1 ZINC001558958091 991007543 /nfs/dbraw/zinc/00/75/43/991007543.db2.gz KPDKDVQZGUGKFO-UHFFFAOYSA-N 1 2 242.238 1.481 20 0 BDADLO CSc1ncc(C[NH+]2CCC(O)CC2)cn1 ZINC001138700502 991009712 /nfs/dbraw/zinc/00/97/12/991009712.db2.gz JTNZXEWEPUYXKG-UHFFFAOYSA-N 1 2 239.344 1.155 20 0 BDADLO COCC1=CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001138698149 991009809 /nfs/dbraw/zinc/00/98/09/991009809.db2.gz JKSYPQBIHPJELC-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO COC1(C)C[NH+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138736985 991024029 /nfs/dbraw/zinc/02/40/29/991024029.db2.gz MBCMNMTXRJTJIS-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001308599827 991052024 /nfs/dbraw/zinc/05/20/24/991052024.db2.gz HEINXBBGZNWXJV-GFCCVEGCSA-N 1 2 233.315 1.275 20 0 BDADLO Nc1ncccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001308599827 991052031 /nfs/dbraw/zinc/05/20/31/991052031.db2.gz HEINXBBGZNWXJV-GFCCVEGCSA-N 1 2 233.315 1.275 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cccc3ccnn32)C1 ZINC001138804772 991062650 /nfs/dbraw/zinc/06/26/50/991062650.db2.gz WCRIQQROKFSGJG-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cccc3ccnn32)C1 ZINC001138804772 991062655 /nfs/dbraw/zinc/06/26/55/991062655.db2.gz WCRIQQROKFSGJG-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3ccnn32)[C@@H](C)CO1 ZINC001138810043 991067379 /nfs/dbraw/zinc/06/73/79/991067379.db2.gz JQIPPGYRUOCXBI-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3ccnn32)[C@@H](C)CO1 ZINC001138810043 991067383 /nfs/dbraw/zinc/06/73/83/991067383.db2.gz JQIPPGYRUOCXBI-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)CC[C@H]1F ZINC001138816514 991067715 /nfs/dbraw/zinc/06/77/15/991067715.db2.gz VZLVQQDASMVDMU-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@H]1F ZINC001138816514 991067720 /nfs/dbraw/zinc/06/77/20/991067720.db2.gz VZLVQQDASMVDMU-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001138857099 991086849 /nfs/dbraw/zinc/08/68/49/991086849.db2.gz JOFUTBVDYZFURF-GXSJLCMTSA-N 1 2 249.314 1.571 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001138857099 991086858 /nfs/dbraw/zinc/08/68/58/991086858.db2.gz JOFUTBVDYZFURF-GXSJLCMTSA-N 1 2 249.314 1.571 20 0 BDADLO Cc1[nH]c2ccc(Cn3ccnn3)cc2[nH+]1 ZINC001559410371 991099757 /nfs/dbraw/zinc/09/97/57/991099757.db2.gz FUXVGRZROJJBPN-UHFFFAOYSA-N 1 2 213.244 1.511 20 0 BDADLO O=c1c(F)cccn1Cc1[nH+]ccn1C(F)F ZINC001559424807 991101394 /nfs/dbraw/zinc/10/13/94/991101394.db2.gz AZMUYUGOLRWEKF-UHFFFAOYSA-N 1 2 243.188 1.627 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001138936556 991102779 /nfs/dbraw/zinc/10/27/79/991102779.db2.gz LTURLXUDCXPKEQ-NWDGAFQWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001138936556 991102782 /nfs/dbraw/zinc/10/27/82/991102782.db2.gz LTURLXUDCXPKEQ-NWDGAFQWSA-N 1 2 235.331 1.719 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H](C)CCSC)[C@@H](C)O ZINC001258206428 991122706 /nfs/dbraw/zinc/12/27/06/991122706.db2.gz SOQMRQXWRWMMQX-IVZWLZJFSA-N 1 2 249.376 1.030 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2cccnc2c1 ZINC001139169534 991177202 /nfs/dbraw/zinc/17/72/02/991177202.db2.gz AMIIOVVIJRTQOG-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2cccnc2c1 ZINC001139169534 991177210 /nfs/dbraw/zinc/17/72/10/991177210.db2.gz AMIIOVVIJRTQOG-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC=C(C)C1 ZINC001139176072 991178170 /nfs/dbraw/zinc/17/81/70/991178170.db2.gz RCWQCVQDMFRSRM-UHFFFAOYSA-N 1 2 219.288 1.439 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3nonc3c2)C1 ZINC001139218930 991196820 /nfs/dbraw/zinc/19/68/20/991196820.db2.gz NHGIXVUNIWIJNL-UHFFFAOYSA-N 1 2 233.271 1.444 20 0 BDADLO CC(C)=CC[NH+]1CCN(C(=O)c2ccon2)CC1 ZINC001258269218 991198750 /nfs/dbraw/zinc/19/87/50/991198750.db2.gz JARVLILFUDWGAX-UHFFFAOYSA-N 1 2 249.314 1.399 20 0 BDADLO Nc1ncnc(Cl)c1C[NH+]1CCCCC1 ZINC001139436292 991236340 /nfs/dbraw/zinc/23/63/40/991236340.db2.gz VKBBQUDSXXYHOJ-UHFFFAOYSA-N 1 2 226.711 1.698 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cncc(F)c1 ZINC001139438772 991243662 /nfs/dbraw/zinc/24/36/62/991243662.db2.gz YDRULZUMYWRRMD-UHFFFAOYSA-N 1 2 234.234 1.433 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC001139463657 991247262 /nfs/dbraw/zinc/24/72/62/991247262.db2.gz HOOSBLXHLWJXOZ-VIFPVBQESA-N 1 2 220.272 1.341 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC001139463657 991247274 /nfs/dbraw/zinc/24/72/74/991247274.db2.gz HOOSBLXHLWJXOZ-VIFPVBQESA-N 1 2 220.272 1.341 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCC1=O ZINC001139463702 991249020 /nfs/dbraw/zinc/24/90/20/991249020.db2.gz KSQHPBHMIDAMJS-SECBINFHSA-N 1 2 220.272 1.198 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCC1=O ZINC001139463702 991249025 /nfs/dbraw/zinc/24/90/25/991249025.db2.gz KSQHPBHMIDAMJS-SECBINFHSA-N 1 2 220.272 1.198 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c[nH]1 ZINC001139463938 991249133 /nfs/dbraw/zinc/24/91/33/991249133.db2.gz SLJIHZSHWAXWPO-JTQLQIEISA-N 1 2 238.262 1.290 20 0 BDADLO O=c1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c[nH]1 ZINC001139463938 991249143 /nfs/dbraw/zinc/24/91/43/991249143.db2.gz SLJIHZSHWAXWPO-JTQLQIEISA-N 1 2 238.262 1.290 20 0 BDADLO CC(C)(C)[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001339402460 991264166 /nfs/dbraw/zinc/26/41/66/991264166.db2.gz PCQHLOWJHZKKHS-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccc(Cl)n2)CC[C@@H]1F ZINC001139547972 991266913 /nfs/dbraw/zinc/26/69/13/991266913.db2.gz RJKHEYJOUWNAOH-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@@H]1F ZINC001139547972 991266925 /nfs/dbraw/zinc/26/69/25/991266925.db2.gz RJKHEYJOUWNAOH-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO CCNC(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001309855676 991283942 /nfs/dbraw/zinc/28/39/42/991283942.db2.gz YQAVADPJFVNELL-JTQLQIEISA-N 1 2 236.319 1.893 20 0 BDADLO COC(=O)CC[C@@H](C)[NH+]1CC2(C1)CCCO2 ZINC001258367318 991312459 /nfs/dbraw/zinc/31/24/59/991312459.db2.gz KNCCTKYISKBSEU-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001139711757 991331519 /nfs/dbraw/zinc/33/15/19/991331519.db2.gz KDSRYPZFJKQHHX-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001139711757 991331529 /nfs/dbraw/zinc/33/15/29/991331529.db2.gz KDSRYPZFJKQHHX-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NC[C@@H]1C=CCC1 ZINC001313214049 991376072 /nfs/dbraw/zinc/37/60/72/991376072.db2.gz UYXOMIWUNRCFQV-SNVBAGLBSA-N 1 2 246.314 1.429 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1ccnc(F)c1)C2 ZINC001139831158 991387535 /nfs/dbraw/zinc/38/75/35/991387535.db2.gz XMQSJCIPWGYKEL-UHFFFAOYSA-N 1 2 222.263 1.177 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccnc(F)c2)cn1 ZINC001139835794 991396615 /nfs/dbraw/zinc/39/66/15/991396615.db2.gz MWZRGTWHRXUPFX-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccnc(F)c2)cn1 ZINC001139835794 991396625 /nfs/dbraw/zinc/39/66/25/991396625.db2.gz MWZRGTWHRXUPFX-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cn1c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc2ccccc21 ZINC001139868128 991406562 /nfs/dbraw/zinc/40/65/62/991406562.db2.gz JDRWSNMRJVRPQE-GXTWGEPZSA-N 1 2 248.301 1.693 20 0 BDADLO Cn1c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc2ccccc21 ZINC001139868128 991406565 /nfs/dbraw/zinc/40/65/65/991406565.db2.gz JDRWSNMRJVRPQE-GXTWGEPZSA-N 1 2 248.301 1.693 20 0 BDADLO COC(=O)[C@@]1([NH2+][C@H](C)CC2CC2)CCOC1 ZINC001258458406 991412252 /nfs/dbraw/zinc/41/22/52/991412252.db2.gz UROOHWYTIAJOEG-BXKDBHETSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@H](C)CC1CC1 ZINC001258464479 991419275 /nfs/dbraw/zinc/41/92/75/991419275.db2.gz KRUYDCPYOVTJLN-IEBDPFPHSA-N 1 2 229.295 1.760 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@H](C)CC1CC1 ZINC001258464479 991419283 /nfs/dbraw/zinc/41/92/83/991419283.db2.gz KRUYDCPYOVTJLN-IEBDPFPHSA-N 1 2 229.295 1.760 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cn1 ZINC001139933587 991428143 /nfs/dbraw/zinc/42/81/43/991428143.db2.gz ISYDBDWFRYIZRK-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cn1 ZINC001139933587 991428146 /nfs/dbraw/zinc/42/81/46/991428146.db2.gz ISYDBDWFRYIZRK-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO C[C@H](CC1CC1)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258467528 991428676 /nfs/dbraw/zinc/42/86/76/991428676.db2.gz HWYPOGBOOKATRR-SCZZXKLOSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H](CC1CC1)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258467528 991428681 /nfs/dbraw/zinc/42/86/81/991428681.db2.gz HWYPOGBOOKATRR-SCZZXKLOSA-N 1 2 219.275 1.877 20 0 BDADLO F[C@@H]1C[N@H+](Cc2cccnn2)C[C@@H]2C[C@@H]21 ZINC001139969306 991435735 /nfs/dbraw/zinc/43/57/35/991435735.db2.gz SMZVPXJLTSKRNY-INTQDDNPSA-N 1 2 207.252 1.266 20 0 BDADLO F[C@@H]1C[N@@H+](Cc2cccnn2)C[C@@H]2C[C@@H]21 ZINC001139969306 991435742 /nfs/dbraw/zinc/43/57/42/991435742.db2.gz SMZVPXJLTSKRNY-INTQDDNPSA-N 1 2 207.252 1.266 20 0 BDADLO CCOc1ncccc1C[NH2+]Cc1ccn(C)n1 ZINC001560262026 991446557 /nfs/dbraw/zinc/44/65/57/991446557.db2.gz ZNQDZOTZLOFZLO-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO COC(C[N@H+](C)Cc1cnc(Cl)nc1)OC ZINC001139992728 991474528 /nfs/dbraw/zinc/47/45/28/991474528.db2.gz RITAEBLEWRVFIH-UHFFFAOYSA-N 1 2 245.710 1.181 20 0 BDADLO COC(C[N@@H+](C)Cc1cnc(Cl)nc1)OC ZINC001139992728 991474534 /nfs/dbraw/zinc/47/45/34/991474534.db2.gz RITAEBLEWRVFIH-UHFFFAOYSA-N 1 2 245.710 1.181 20 0 BDADLO CC[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001317241129 991474662 /nfs/dbraw/zinc/47/46/62/991474662.db2.gz IZJNTKIKQCLSDD-WDSKDSINSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+][C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001317241129 991474672 /nfs/dbraw/zinc/47/46/72/991474672.db2.gz IZJNTKIKQCLSDD-WDSKDSINSA-N 1 2 230.205 1.001 20 0 BDADLO C[N@H+](Cc1cccc(F)c1)Cc1nccnc1N ZINC001140007959 991478071 /nfs/dbraw/zinc/47/80/71/991478071.db2.gz JHNQDZZZTMMZHP-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[N@@H+](Cc1cccc(F)c1)Cc1nccnc1N ZINC001140007959 991478075 /nfs/dbraw/zinc/47/80/75/991478075.db2.gz JHNQDZZZTMMZHP-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO CC[N@H+](Cc1cccnc1)Cc1nccnc1N ZINC001140015604 991486135 /nfs/dbraw/zinc/48/61/35/991486135.db2.gz HKBQQBVMFDVZHP-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO CC[N@@H+](Cc1cccnc1)Cc1nccnc1N ZINC001140015604 991486141 /nfs/dbraw/zinc/48/61/41/991486141.db2.gz HKBQQBVMFDVZHP-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO Cc1[nH]nnc1NCc1[nH]c(C)c(C)[nH+]1 ZINC001560597731 991512332 /nfs/dbraw/zinc/51/23/32/991512332.db2.gz YUVZZUFXTLHSBT-UHFFFAOYSA-N 1 2 206.253 1.065 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc(C)c(O)cc2C)C1 ZINC001140201693 991561693 /nfs/dbraw/zinc/56/16/93/991561693.db2.gz VWBHWFHKXXIRBM-UHFFFAOYSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1ccc2n[nH]c(C[NH+]3CC(C)(CO)C3)c2c1 ZINC001140328632 991606797 /nfs/dbraw/zinc/60/67/97/991606797.db2.gz IVUKJDJQFOHWMX-UHFFFAOYSA-N 1 2 245.326 1.686 20 0 BDADLO Cc1ccc2[nH]nc(C[NH+]3CC(C)(CO)C3)c2c1 ZINC001140328632 991606804 /nfs/dbraw/zinc/60/68/04/991606804.db2.gz IVUKJDJQFOHWMX-UHFFFAOYSA-N 1 2 245.326 1.686 20 0 BDADLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)n1cc[nH+]c1 ZINC001318007409 991608363 /nfs/dbraw/zinc/60/83/63/991608363.db2.gz HPSMNQFRFYEWAR-UTUOFQBUSA-N 1 2 235.331 1.949 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1ccoc1)n1cc[nH+]c1 ZINC001318034452 991614464 /nfs/dbraw/zinc/61/44/64/991614464.db2.gz IBUUYEWHLNKJRZ-JTQLQIEISA-N 1 2 233.271 1.696 20 0 BDADLO COCC[NH+]1CC(NC(=O)C(C)(C)C(C)C)C1 ZINC001318029380 991614659 /nfs/dbraw/zinc/61/46/59/991614659.db2.gz VUXGBPDSCYBFCT-UHFFFAOYSA-N 1 2 242.363 1.115 20 0 BDADLO COC(=O)C1CC([NH2+][C@@H]2CCCC2(F)F)C1 ZINC001560870494 991633386 /nfs/dbraw/zinc/63/33/86/991633386.db2.gz IHGYEISVDMFURZ-AMDVSUOASA-N 1 2 233.258 1.715 20 0 BDADLO Cc1ccc(Cl)nc1C[NH+]1CC(C)(CO)C1 ZINC001140440751 991637627 /nfs/dbraw/zinc/63/76/27/991637627.db2.gz BYLVJRQHGBAOTM-UHFFFAOYSA-N 1 2 240.734 1.858 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCCC2(CCC2)C1 ZINC001140474735 991652425 /nfs/dbraw/zinc/65/24/25/991652425.db2.gz SXKBYXNXUIMGQB-UHFFFAOYSA-N 1 2 249.314 1.654 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCCC2(CCC2)C1 ZINC001140474735 991652432 /nfs/dbraw/zinc/65/24/32/991652432.db2.gz SXKBYXNXUIMGQB-UHFFFAOYSA-N 1 2 249.314 1.654 20 0 BDADLO C[C@H](C(=O)N1CCCn2nccc21)n1cc[nH+]c1 ZINC001318372836 991652643 /nfs/dbraw/zinc/65/26/43/991652643.db2.gz AGLTZDUPANCKRM-SNVBAGLBSA-N 1 2 245.286 1.078 20 0 BDADLO Cc1cc(C[NH+]2CCC(=O)CC2)ccc1O ZINC001140574413 991674135 /nfs/dbraw/zinc/67/41/35/991674135.db2.gz CFNCUHGNORYTES-UHFFFAOYSA-N 1 2 219.284 1.866 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O)c(C)c1 ZINC001140573522 991674540 /nfs/dbraw/zinc/67/45/40/991674540.db2.gz NMIPLBMOKWGNGS-GFCCVEGCSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(O)c(C)c1 ZINC001140573522 991674546 /nfs/dbraw/zinc/67/45/46/991674546.db2.gz NMIPLBMOKWGNGS-GFCCVEGCSA-N 1 2 249.310 1.838 20 0 BDADLO CCCC[C@@H](CCC)[NH2+][C@@H](CO)C(=O)OCC ZINC001258753117 991699016 /nfs/dbraw/zinc/69/90/16/991699016.db2.gz RXETUIOLHQAFOQ-NEPJUHHUSA-N 1 2 245.363 1.859 20 0 BDADLO Cc1nc(NCCc2nc(C(C)C)no2)cc[nH+]1 ZINC001318776969 991716441 /nfs/dbraw/zinc/71/64/41/991716441.db2.gz BEARAGOAEOFZMB-UHFFFAOYSA-N 1 2 247.302 1.946 20 0 BDADLO C[C@H](F)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001564815911 991773251 /nfs/dbraw/zinc/77/32/51/991773251.db2.gz MXKMGOPLQOTKTK-VIFPVBQESA-N 1 2 240.282 1.156 20 0 BDADLO C[C@@H](C(=O)NCc1ccc(F)cn1)n1cc[nH+]c1 ZINC001319185324 991811317 /nfs/dbraw/zinc/81/13/17/991811317.db2.gz ACBRZBFVDDFXMY-VIFPVBQESA-N 1 2 248.261 1.295 20 0 BDADLO COC(C)(C)c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001319520905 991884603 /nfs/dbraw/zinc/88/46/03/991884603.db2.gz IMPZLDFXTDCAJW-MRVPVSSYSA-N 1 2 236.275 1.757 20 0 BDADLO CC[NH2+][C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001566840156 991884608 /nfs/dbraw/zinc/88/46/08/991884608.db2.gz RUBZRTGXMXQAAB-DSYKOEDSSA-N 1 2 242.216 1.144 20 0 BDADLO CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001566840156 991884620 /nfs/dbraw/zinc/88/46/20/991884620.db2.gz RUBZRTGXMXQAAB-DSYKOEDSSA-N 1 2 242.216 1.144 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)C1(CF)CCC1 ZINC001567807457 992095017 /nfs/dbraw/zinc/09/50/17/992095017.db2.gz KWOLDWNQQQHYHO-UHFFFAOYSA-N 1 2 246.301 1.286 20 0 BDADLO CON(C(=O)[C@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001320131007 992111683 /nfs/dbraw/zinc/11/16/83/992111683.db2.gz OXBLCJINZABJKA-JTQLQIEISA-N 1 2 237.303 1.777 20 0 BDADLO CON(C(=O)[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001320131010 992112203 /nfs/dbraw/zinc/11/22/03/992112203.db2.gz OXBLCJINZABJKA-SNVBAGLBSA-N 1 2 237.303 1.777 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001320208900 992131962 /nfs/dbraw/zinc/13/19/62/992131962.db2.gz NMZVARQWJGLDDB-VIFPVBQESA-N 1 2 246.270 1.492 20 0 BDADLO CCC[NH+]1CCN(S(=O)(=O)[C@H](C)CC)CC1 ZINC001260731204 992146504 /nfs/dbraw/zinc/14/65/04/992146504.db2.gz CWXJSJLUHSMCIA-LLVKDONJSA-N 1 2 248.392 1.142 20 0 BDADLO CCC(=O)NC[C@H]1C[N@H+](CC=C(C)C)CCO1 ZINC001568211900 992148670 /nfs/dbraw/zinc/14/86/70/992148670.db2.gz UIRYVZGCSZJDSF-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO CCC(=O)NC[C@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC001568211900 992148676 /nfs/dbraw/zinc/14/86/76/992148676.db2.gz UIRYVZGCSZJDSF-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO CCC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC001568211898 992149001 /nfs/dbraw/zinc/14/90/01/992149001.db2.gz UIRYVZGCSZJDSF-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CCC(=O)NC[C@@H]1C[N@H+](CC=C(C)C)CCO1 ZINC001568211898 992148996 /nfs/dbraw/zinc/14/89/96/992148996.db2.gz UIRYVZGCSZJDSF-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CC(F)(F)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001568610859 992198747 /nfs/dbraw/zinc/19/87/47/992198747.db2.gz YSDQLZSFJSGZNY-UHFFFAOYSA-N 1 2 225.198 1.928 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC001261238655 992211437 /nfs/dbraw/zinc/21/14/37/992211437.db2.gz LTLSLHQXBINYKQ-LBPRGKRZSA-N 1 2 243.347 1.325 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001320595648 992265527 /nfs/dbraw/zinc/26/55/27/992265527.db2.gz IZFGINAJCNTFFT-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001320595648 992265544 /nfs/dbraw/zinc/26/55/44/992265544.db2.gz IZFGINAJCNTFFT-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001320660607 992298835 /nfs/dbraw/zinc/29/88/35/992298835.db2.gz AQUDWZHUYGNEOQ-GARJFASQSA-N 1 2 237.303 1.128 20 0 BDADLO CC(C)CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001569344227 992357848 /nfs/dbraw/zinc/35/78/48/992357848.db2.gz CVIRASSYRAXWIB-SNVBAGLBSA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001569344227 992357858 /nfs/dbraw/zinc/35/78/58/992357858.db2.gz CVIRASSYRAXWIB-SNVBAGLBSA-N 1 2 216.300 1.193 20 0 BDADLO C[C@H]1OCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001261569980 992389454 /nfs/dbraw/zinc/38/94/54/992389454.db2.gz ACYWCHAWQDEBTF-HTQZYQBOSA-N 1 2 211.265 1.024 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ncnn1C ZINC001320999484 992427866 /nfs/dbraw/zinc/42/78/66/992427866.db2.gz NDJYNVGPQWMHHG-UWVGGRQHSA-N 1 2 231.303 1.622 20 0 BDADLO CCS[C@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001261637937 992430995 /nfs/dbraw/zinc/43/09/95/992430995.db2.gz KLGNKNJJVAUAOJ-UWVGGRQHSA-N 1 2 240.376 1.911 20 0 BDADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001261637937 992431003 /nfs/dbraw/zinc/43/10/03/992431003.db2.gz KLGNKNJJVAUAOJ-UWVGGRQHSA-N 1 2 240.376 1.911 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccnc(OC)c1 ZINC001570010421 992434062 /nfs/dbraw/zinc/43/40/62/992434062.db2.gz MCYGGWVLGJRMAU-JTQLQIEISA-N 1 2 235.287 1.123 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccnc(OC)c1 ZINC001570010421 992434070 /nfs/dbraw/zinc/43/40/70/992434070.db2.gz MCYGGWVLGJRMAU-JTQLQIEISA-N 1 2 235.287 1.123 20 0 BDADLO COCC1=CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001321383684 992529151 /nfs/dbraw/zinc/52/91/51/992529151.db2.gz VNDAKMWACHVXAB-NSHDSACASA-N 1 2 249.314 1.249 20 0 BDADLO Cc1cccnc1C[NH2+][C@@H](C)C1N=NC(=O)N1C ZINC001262111558 992683659 /nfs/dbraw/zinc/68/36/59/992683659.db2.gz JEPVLXVEUPQJRB-VIFPVBQESA-N 1 2 247.302 1.075 20 0 BDADLO CO[C@H]1C[NH2+][C@H](C(=O)Oc2ccc(C)cc2C)C1 ZINC001574010107 992790279 /nfs/dbraw/zinc/79/02/79/992790279.db2.gz GRXYVBSLQGWZIC-NEPJUHHUSA-N 1 2 249.310 1.586 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ncco1 ZINC001262202369 992797213 /nfs/dbraw/zinc/79/72/13/992797213.db2.gz SNTZNWBGWKGISU-NKWVEPMBSA-N 1 2 238.209 1.639 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCCC(F)F ZINC001262206365 992801982 /nfs/dbraw/zinc/80/19/82/992801982.db2.gz ZKPXAKBLFSJICZ-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@@H]1CCCC[C@H]1O ZINC001262240855 992817854 /nfs/dbraw/zinc/81/78/54/992817854.db2.gz KZMAUUHHJMOZMU-VHSXEESVSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@@H]1CCCC[C@H]1O ZINC001262240855 992817856 /nfs/dbraw/zinc/81/78/56/992817856.db2.gz KZMAUUHHJMOZMU-VHSXEESVSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1c([C@H](C)[NH2+][C@H](C)c2ncccn2)cnn1C ZINC001262257033 992824039 /nfs/dbraw/zinc/82/40/39/992824039.db2.gz ALCAUBICCVPDEW-VHSXEESVSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(C(=O)N2CCn3c[nH+]cc3C2)CC=CC1 ZINC001262339089 992844685 /nfs/dbraw/zinc/84/46/85/992844685.db2.gz LGEZYOYLCKQGFU-UHFFFAOYSA-N 1 2 231.299 1.582 20 0 BDADLO Cc1ncoc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001262347227 992849772 /nfs/dbraw/zinc/84/97/72/992849772.db2.gz XMUVLMXVSRFEHF-SECBINFHSA-N 1 2 234.259 1.057 20 0 BDADLO O=C([O-])[C@@H]1C[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001574395817 992853084 /nfs/dbraw/zinc/85/30/84/992853084.db2.gz RPFBDJUXKXQQLL-CMPLNLGQSA-N 1 2 249.314 1.241 20 0 BDADLO O=C([O-])[C@@H]1C2CCC(CC2)[N@@H+]1CCn1cc[nH+]c1 ZINC001574383913 992854007 /nfs/dbraw/zinc/85/40/07/992854007.db2.gz JFAIZADRXWTDQG-MCIGGMRASA-N 1 2 249.314 1.211 20 0 BDADLO O=C([O-])[C@@H]1C2CCC(CC2)[N@H+]1CCn1cc[nH+]c1 ZINC001574383913 992854009 /nfs/dbraw/zinc/85/40/09/992854009.db2.gz JFAIZADRXWTDQG-MCIGGMRASA-N 1 2 249.314 1.211 20 0 BDADLO Cn1c[nH+]cc1C1CC[NH+](CCC(=O)[O-])CC1 ZINC001574463064 992864138 /nfs/dbraw/zinc/86/41/38/992864138.db2.gz ZDBCXSPUNVEBMU-UHFFFAOYSA-N 1 2 237.303 1.074 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1COC(C)(C)C1)n1cc[nH+]c1 ZINC001262385317 992875394 /nfs/dbraw/zinc/87/53/94/992875394.db2.gz HKQVUANTAAAJRF-UWVGGRQHSA-N 1 2 237.303 1.128 20 0 BDADLO COC(=O)CCC(=O)Nc1c(C)c[nH+]cc1C ZINC001262805079 993069349 /nfs/dbraw/zinc/06/93/49/993069349.db2.gz DBCABTWZERFRNA-UHFFFAOYSA-N 1 2 236.271 1.012 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)no1 ZINC000379914876 993294372 /nfs/dbraw/zinc/29/43/72/993294372.db2.gz BGHIMDWFAYDZCJ-VXNVDRBHSA-N 1 2 213.281 1.046 20 0 BDADLO Cn1c[nH+]cc1CNCc1nc(C#N)cs1 ZINC000381608502 993409160 /nfs/dbraw/zinc/40/91/60/993409160.db2.gz RGEXMFNJNBTGIF-UHFFFAOYSA-N 1 2 233.300 1.038 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(OC)C2)cc1N ZINC000382597242 993465184 /nfs/dbraw/zinc/46/51/84/993465184.db2.gz IQXWMNMIABLFHD-UHFFFAOYSA-N 1 2 236.315 1.498 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC=CCC1 ZINC001263734900 993486133 /nfs/dbraw/zinc/48/61/33/993486133.db2.gz CBAFICIOIHZUQC-LLVKDONJSA-N 1 2 233.315 1.578 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C2(C)CC2)CC1 ZINC001263840199 993547154 /nfs/dbraw/zinc/54/71/54/993547154.db2.gz ZRJUXUYZACJCJY-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO Cc1conc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001263909757 993592624 /nfs/dbraw/zinc/59/26/24/993592624.db2.gz FSPDGLFJLMSTRJ-SECBINFHSA-N 1 2 234.259 1.057 20 0 BDADLO CCCC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001263967447 993634457 /nfs/dbraw/zinc/63/44/57/993634457.db2.gz PQVFNVHMLVKRIH-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CN(C)c1ccc(Nc2cncc(N)n2)c[nH+]1 ZINC000387328745 993706218 /nfs/dbraw/zinc/70/62/18/993706218.db2.gz ODSMTYQTCNRKBF-UHFFFAOYSA-N 1 2 230.275 1.263 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)c2nccn21 ZINC000388382313 993731882 /nfs/dbraw/zinc/73/18/82/993731882.db2.gz RZQXFPGUTIVIOS-KOLCDFICSA-N 1 2 231.303 1.412 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2COCc3ccccc32)nn1 ZINC000389808285 993763471 /nfs/dbraw/zinc/76/34/71/993763471.db2.gz BJBZPFWBUJTGAP-CYBMUJFWSA-N 1 2 244.298 1.176 20 0 BDADLO CCCn1c[nH+]cc1CN[C@H](C)c1ncn(C)n1 ZINC000391935953 993826301 /nfs/dbraw/zinc/82/63/01/993826301.db2.gz PCGXCHGKOHOOPC-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2nc(C)cc(C)n2)C1 ZINC000700514785 993837391 /nfs/dbraw/zinc/83/73/91/993837391.db2.gz FGZYYJXDZPDXQT-ZDUSSCGKSA-N 1 2 247.342 1.894 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)cc(C)n2)C1 ZINC000700514785 993837395 /nfs/dbraw/zinc/83/73/95/993837395.db2.gz FGZYYJXDZPDXQT-ZDUSSCGKSA-N 1 2 247.342 1.894 20 0 BDADLO CC[C@@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCF ZINC001265651592 993892199 /nfs/dbraw/zinc/89/21/99/993892199.db2.gz MRVWEXIUYXIDOS-WDEREUQCSA-N 1 2 248.317 1.675 20 0 BDADLO CC[C@@H](F)C(=O)NC[C@@H]1CCCC[N@H+]1CCF ZINC001265651592 993892206 /nfs/dbraw/zinc/89/22/06/993892206.db2.gz MRVWEXIUYXIDOS-WDEREUQCSA-N 1 2 248.317 1.675 20 0 BDADLO C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C1(C)CC1 ZINC000724735095 994077646 /nfs/dbraw/zinc/07/76/46/994077646.db2.gz QLNMQJQSEILCJO-BQBZGAKWSA-N 1 2 220.263 1.274 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@@H]1CC12CCCCC2)C(F)F ZINC000724704524 994070509 /nfs/dbraw/zinc/07/05/09/994070509.db2.gz TXSJVMNGMLFGEJ-DTWKUNHWSA-N 1 2 246.301 1.808 20 0 BDADLO Cc1[nH]c(CN2C[C@H]3CC[C@@H](C2)O3)c[nH+]1 ZINC000724780983 994079007 /nfs/dbraw/zinc/07/90/07/994079007.db2.gz YDJXLQCOXPHBOR-PHIMTYICSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1[nH]cc(CN2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000724780983 994079014 /nfs/dbraw/zinc/07/90/14/994079014.db2.gz YDJXLQCOXPHBOR-PHIMTYICSA-N 1 2 207.277 1.081 20 0 BDADLO CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCF)CC1 ZINC001316604995 994127751 /nfs/dbraw/zinc/12/77/51/994127751.db2.gz NBCXMHNILWSQAM-LLVKDONJSA-N 1 2 242.338 1.679 20 0 BDADLO CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCF)CC1 ZINC001316604995 994127767 /nfs/dbraw/zinc/12/77/67/994127767.db2.gz NBCXMHNILWSQAM-LLVKDONJSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(C(=O)[O-])co1 ZINC001593207345 994216481 /nfs/dbraw/zinc/21/64/81/994216481.db2.gz CJACAVIGESZEJX-OIBJUYFYSA-N 1 2 238.287 1.366 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001306007287 994429554 /nfs/dbraw/zinc/42/95/54/994429554.db2.gz ZIZHVHJCBNUNDO-OHBODLIOSA-N 1 2 249.314 1.024 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001306007287 994429568 /nfs/dbraw/zinc/42/95/68/994429568.db2.gz ZIZHVHJCBNUNDO-OHBODLIOSA-N 1 2 249.314 1.024 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(Cl)nc1 ZINC001290622076 994552957 /nfs/dbraw/zinc/55/29/57/994552957.db2.gz MSYDJSYYTHJDCI-VIFPVBQESA-N 1 2 239.706 1.768 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(Cl)nc1 ZINC001290622076 994552969 /nfs/dbraw/zinc/55/29/69/994552969.db2.gz MSYDJSYYTHJDCI-VIFPVBQESA-N 1 2 239.706 1.768 20 0 BDADLO COc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)nc1 ZINC001334457723 994597189 /nfs/dbraw/zinc/59/71/89/994597189.db2.gz FGHWZIBSJLOIFY-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncccc1F ZINC001294284571 994692773 /nfs/dbraw/zinc/69/27/73/994692773.db2.gz XNDCZDMCBHSKQP-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(O)c1 ZINC001296510885 994818254 /nfs/dbraw/zinc/81/82/54/994818254.db2.gz UITSYOWLZWUYPS-UHFFFAOYSA-N 1 2 247.254 1.305 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001296698953 994828484 /nfs/dbraw/zinc/82/84/84/994828484.db2.gz XCEIQNAVAVWVLM-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1nccn1C)n1cc[nH+]c1 ZINC001336018823 994924646 /nfs/dbraw/zinc/92/46/46/994924646.db2.gz QQWPGJKJZGABKC-VHSXEESVSA-N 1 2 247.302 1.055 20 0 BDADLO c1nnc(C[NH2+][C@@H](c2ccncc2)C2CC2)[nH]1 ZINC001336477064 995044757 /nfs/dbraw/zinc/04/47/57/995044757.db2.gz MLKXWXXUUSPWNB-GFCCVEGCSA-N 1 2 229.287 1.441 20 0 BDADLO C=CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001336674953 995075926 /nfs/dbraw/zinc/07/59/26/995075926.db2.gz ALZQUWPSOZKWQP-UHFFFAOYSA-N 1 2 201.229 1.767 20 0 BDADLO CCCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302094082 995112143 /nfs/dbraw/zinc/11/21/43/995112143.db2.gz MSGFPWKDTMDVOB-UHFFFAOYSA-N 1 2 219.288 1.349 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@H]2CCCOC2)[nH+]cn1 ZINC001337202887 995151310 /nfs/dbraw/zinc/15/13/10/995151310.db2.gz BIBRYAKKDADIAR-WDEREUQCSA-N 1 2 248.330 1.454 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnn(C2CCC2)c1 ZINC001304076763 995186074 /nfs/dbraw/zinc/18/60/74/995186074.db2.gz BCIATZVQZOGNIK-GFCCVEGCSA-N 1 2 248.330 1.641 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnn(C2CCC2)c1 ZINC001304076763 995186080 /nfs/dbraw/zinc/18/60/80/995186080.db2.gz BCIATZVQZOGNIK-GFCCVEGCSA-N 1 2 248.330 1.641 20 0 BDADLO CCC[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001337480438 995197605 /nfs/dbraw/zinc/19/76/05/995197605.db2.gz ABJSKNLWFIDKNV-LLVKDONJSA-N 1 2 235.331 1.754 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@H]1F ZINC001339100317 995252419 /nfs/dbraw/zinc/25/24/19/995252419.db2.gz MWVXAJHXHXNBRM-XQQFMLRXSA-N 1 2 248.301 1.647 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@H]1F ZINC001339100317 995252425 /nfs/dbraw/zinc/25/24/25/995252425.db2.gz MWVXAJHXHXNBRM-XQQFMLRXSA-N 1 2 248.301 1.647 20 0 BDADLO CCc1cn(Cc2cc3n(n2)CCC3)c[nH+]1 ZINC001307397794 995344304 /nfs/dbraw/zinc/34/43/04/995344304.db2.gz UYRDBOGDQYNCPM-UHFFFAOYSA-N 1 2 216.288 1.637 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCn2nccc2C1 ZINC001307958300 995509190 /nfs/dbraw/zinc/50/91/90/995509190.db2.gz PECJXVBHFFGYEH-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCn2nccc2C1 ZINC001307958300 995509201 /nfs/dbraw/zinc/50/92/01/995509201.db2.gz PECJXVBHFFGYEH-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO c1nnsc1C[N@@H+]1CCCC[C@]12CCOC2 ZINC001308167250 995584124 /nfs/dbraw/zinc/58/41/24/995584124.db2.gz PPLLBVMSHPEWCG-LLVKDONJSA-N 1 2 239.344 1.683 20 0 BDADLO c1nnsc1C[N@H+]1CCCC[C@]12CCOC2 ZINC001308167250 995584129 /nfs/dbraw/zinc/58/41/29/995584129.db2.gz PPLLBVMSHPEWCG-LLVKDONJSA-N 1 2 239.344 1.683 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc3n2CCC3)cs1 ZINC001308192061 995593917 /nfs/dbraw/zinc/59/39/17/995593917.db2.gz VRQICGHEHBCQRK-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000378682715 346807249 /nfs/dbraw/zinc/80/72/49/346807249.db2.gz YFOKWEGATOZGDB-BWZBUEFSSA-N 1 2 237.246 1.298 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000161167938 538915060 /nfs/dbraw/zinc/91/50/60/538915060.db2.gz BURAATCKVPQGGV-VIFPVBQESA-N 1 2 241.360 1.662 20 0 BDADLO Cc1nc(N2CC(=O)N(C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000336911203 398138733 /nfs/dbraw/zinc/13/87/33/398138733.db2.gz IXXBCOJCTVURSI-QMMMGPOBSA-N 1 2 248.330 1.069 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000567554807 398142146 /nfs/dbraw/zinc/14/21/46/398142146.db2.gz FTTRZJHKUNXOLK-VIFPVBQESA-N 1 2 207.277 1.045 20 0 BDADLO Cc1cc(C)cc(C[NH+]2CCS(=O)CC2)c1 ZINC000112599380 398145650 /nfs/dbraw/zinc/14/56/50/398145650.db2.gz IDBBFVHFJNLDSZ-UHFFFAOYSA-N 1 2 237.368 1.868 20 0 BDADLO Cc1nc(C(C)C)oc1C(=O)NCc1c[nH+]c[nH]1 ZINC000340585496 398147438 /nfs/dbraw/zinc/14/74/38/398147438.db2.gz WCLSAALOUXCQEM-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1nc(C(C)C)oc1C(=O)NCc1c[nH]c[nH+]1 ZINC000340585496 398147439 /nfs/dbraw/zinc/14/74/39/398147439.db2.gz WCLSAALOUXCQEM-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CCC(CC)([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000336732192 168330777 /nfs/dbraw/zinc/33/07/77/168330777.db2.gz LJIXYOOJTJIWRT-SECBINFHSA-N 1 2 217.309 1.343 20 0 BDADLO CCC(CC)([NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)OC ZINC000338353090 168330909 /nfs/dbraw/zinc/33/09/09/168330909.db2.gz YCPUMKFKGLSRSH-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000158806522 136214042 /nfs/dbraw/zinc/21/40/42/136214042.db2.gz RNZFFICOSQRDOW-LLVKDONJSA-N 1 2 249.310 1.658 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000158806522 136214043 /nfs/dbraw/zinc/21/40/43/136214043.db2.gz RNZFFICOSQRDOW-LLVKDONJSA-N 1 2 249.310 1.658 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)nn1C ZINC000336714385 178008218 /nfs/dbraw/zinc/00/82/18/178008218.db2.gz TURHTOTUCSHSGQ-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)nn1C ZINC000336714385 178008221 /nfs/dbraw/zinc/00/82/21/178008221.db2.gz TURHTOTUCSHSGQ-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000649871363 398154285 /nfs/dbraw/zinc/15/42/85/398154285.db2.gz ZBTYNNRXFCSMKJ-MRVPVSSYSA-N 1 2 241.360 1.618 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000649871363 398154286 /nfs/dbraw/zinc/15/42/86/398154286.db2.gz ZBTYNNRXFCSMKJ-MRVPVSSYSA-N 1 2 241.360 1.618 20 0 BDADLO COCc1nc(C[NH2+][C@@H](C)CF)cs1 ZINC000379631334 398156223 /nfs/dbraw/zinc/15/62/23/398156223.db2.gz NWHFRKHYBHDSSC-ZETCQYMHSA-N 1 2 218.297 1.737 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000649902719 398175568 /nfs/dbraw/zinc/17/55/68/398175568.db2.gz FABHQIBJGRPZBZ-VIFPVBQESA-N 1 2 229.230 1.609 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000649902719 398175571 /nfs/dbraw/zinc/17/55/71/398175571.db2.gz FABHQIBJGRPZBZ-VIFPVBQESA-N 1 2 229.230 1.609 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1ncc[nH]1)C2 ZINC000649905049 398178476 /nfs/dbraw/zinc/17/84/76/398178476.db2.gz RXMOZSCTLQDFCC-SECBINFHSA-N 1 2 213.231 1.641 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1ncc[nH]1)C2 ZINC000649905049 398178479 /nfs/dbraw/zinc/17/84/79/398178479.db2.gz RXMOZSCTLQDFCC-SECBINFHSA-N 1 2 213.231 1.641 20 0 BDADLO Cc1cc(NC2(CCO)CCCC2)nc[nH+]1 ZINC000649366719 398178826 /nfs/dbraw/zinc/17/88/26/398178826.db2.gz KRFYSDDFCISCSF-UHFFFAOYSA-N 1 2 221.304 1.892 20 0 BDADLO Cc1nc(N(C)Cc2cnn(C)c2)c(C)c(C)[nH+]1 ZINC000301450058 398167411 /nfs/dbraw/zinc/16/74/11/398167411.db2.gz SOMQGEIBNVNYAK-UHFFFAOYSA-N 1 2 245.330 1.772 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC1(C)C)CC2 ZINC000624524776 343981361 /nfs/dbraw/zinc/98/13/61/343981361.db2.gz CBRQNEOSDDJFPC-WDEREUQCSA-N 1 2 247.342 1.669 20 0 BDADLO Cc1cc(N2CCC[C@@H](CO)CC2)nc[nH+]1 ZINC000338827590 178114640 /nfs/dbraw/zinc/11/46/40/178114640.db2.gz GYAJXGYPYRKHIF-LLVKDONJSA-N 1 2 221.304 1.384 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000649942893 398193651 /nfs/dbraw/zinc/19/36/51/398193651.db2.gz BZBVECMQWNCPTI-SDDRHHMPSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@@H](F)C2)C1 ZINC000649942893 398193654 /nfs/dbraw/zinc/19/36/54/398193654.db2.gz BZBVECMQWNCPTI-SDDRHHMPSA-N 1 2 242.338 1.535 20 0 BDADLO Cc1cc(N(C)CCn2cccn2)nc[nH+]1 ZINC000110599024 178098355 /nfs/dbraw/zinc/09/83/55/178098355.db2.gz TUBRQYAAZUVSGJ-UHFFFAOYSA-N 1 2 217.276 1.118 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000302043678 178098791 /nfs/dbraw/zinc/09/87/91/178098791.db2.gz MEBPIGJZYSVTOX-NWDGAFQWSA-N 1 2 235.331 1.772 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649952270 398195344 /nfs/dbraw/zinc/19/53/44/398195344.db2.gz WIGODBSXEFGINS-OUAUKWLOSA-N 1 2 239.319 1.374 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cncnc1 ZINC000271004901 538923330 /nfs/dbraw/zinc/92/33/30/538923330.db2.gz MXTRJIAECUIHFK-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cncnc1 ZINC000271004901 538923331 /nfs/dbraw/zinc/92/33/31/538923331.db2.gz MXTRJIAECUIHFK-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO Cc1cc(N)nc(SC[C@H](O)C(C)(C)C)[nH+]1 ZINC000304253293 178108783 /nfs/dbraw/zinc/10/87/83/178108783.db2.gz RKCXTPCQKPHCRG-QMMMGPOBSA-N 1 2 241.360 1.866 20 0 BDADLO COc1ccc(C)cc1C[NH2+]Cc1cnn[nH]1 ZINC000398344678 398200996 /nfs/dbraw/zinc/20/09/96/398200996.db2.gz FYPDDLHDYUVBIF-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO Cc1cc(N2CC[C@H](CO)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000362664081 178120081 /nfs/dbraw/zinc/12/00/81/178120081.db2.gz LZAKGJMQLTXORG-CMPLNLGQSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(NC(=O)CC(C)(C)O)cc[nH+]1 ZINC000280791006 178126491 /nfs/dbraw/zinc/12/64/91/178126491.db2.gz FQQAGRVVWFTDEV-UHFFFAOYSA-N 1 2 208.261 1.490 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)no1 ZINC000292919446 178132190 /nfs/dbraw/zinc/13/21/90/178132190.db2.gz GBQPVUKOZJNLMC-VXNVDRBHSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)no1 ZINC000292919446 178132192 /nfs/dbraw/zinc/13/21/92/178132192.db2.gz GBQPVUKOZJNLMC-VXNVDRBHSA-N 1 2 223.276 1.262 20 0 BDADLO CC1(C)CN(C(=O)c2cc(C3CC3)[nH]n2)CC[NH2+]1 ZINC000175414457 365552176 /nfs/dbraw/zinc/55/21/76/365552176.db2.gz YYGVIPPKLKZKGZ-UHFFFAOYSA-N 1 2 248.330 1.111 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@H]2CCOC2)cc[nH+]1 ZINC000119522797 178135733 /nfs/dbraw/zinc/13/57/33/178135733.db2.gz HVOUVWOJQWFEDB-NSHDSACASA-N 1 2 235.287 1.643 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)CCO)cc[nH+]1 ZINC000270977110 178137433 /nfs/dbraw/zinc/13/74/33/178137433.db2.gz ATSGPTAUQHIDIL-UHFFFAOYSA-N 1 2 237.303 1.673 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC000649989522 398209180 /nfs/dbraw/zinc/20/91/80/398209180.db2.gz LXXXVLYDZDMIJB-ADEWGFFLSA-N 1 2 233.315 1.749 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)CCO)cc[nH+]1 ZINC000119913172 178141692 /nfs/dbraw/zinc/14/16/92/178141692.db2.gz SBIPITYHOVTCQM-MRVPVSSYSA-N 1 2 223.276 1.282 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1cnccn1 ZINC000649412288 398214252 /nfs/dbraw/zinc/21/42/52/398214252.db2.gz QFWNMNYVLSEUEY-SECBINFHSA-N 1 2 241.298 1.739 20 0 BDADLO Cc1cc(NC(=O)Nc2cnn(C)c2)cc[nH+]1 ZINC000120013310 178141869 /nfs/dbraw/zinc/14/18/69/178141869.db2.gz BJVIVJKNVGZXMP-UHFFFAOYSA-N 1 2 231.259 1.768 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)c2cn[nH]c2)cc[nH+]1 ZINC000271076418 178142598 /nfs/dbraw/zinc/14/25/98/178142598.db2.gz PJQKKTFYERKDRP-SECBINFHSA-N 1 2 245.286 1.996 20 0 BDADLO CO[C@H]1CC[N@H+](CC(F)F)CC1(C)C ZINC000650002780 398214845 /nfs/dbraw/zinc/21/48/45/398214845.db2.gz MANLZGFCWLKTFI-QMMMGPOBSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@H]1CC[N@@H+](CC(F)F)CC1(C)C ZINC000650002780 398214849 /nfs/dbraw/zinc/21/48/49/398214849.db2.gz MANLZGFCWLKTFI-QMMMGPOBSA-N 1 2 207.264 1.998 20 0 BDADLO COc1ncncc1C[NH2+][C@@H](C)c1ccccn1 ZINC000647167215 398215323 /nfs/dbraw/zinc/21/53/23/398215323.db2.gz XNMSRQOCOPXWGH-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cccn2)cc[nH+]1 ZINC000299240906 178144547 /nfs/dbraw/zinc/14/45/47/178144547.db2.gz VSUUMSWSAHVDGC-SNVBAGLBSA-N 1 2 230.271 1.786 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCCC(=O)N2)cc[nH+]1 ZINC000194103622 178145289 /nfs/dbraw/zinc/14/52/89/178145289.db2.gz FCKCYBXAUMOJFU-NSHDSACASA-N 1 2 247.298 1.387 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH+]1 ZINC000072805740 178147037 /nfs/dbraw/zinc/14/70/37/178147037.db2.gz MYRQTRILWNRGBO-UTUOFQBUSA-N 1 2 232.283 1.896 20 0 BDADLO Cc1cc(NC(=O)c2n[nH]c3c2CCC3)cc[nH+]1 ZINC000074643194 178151137 /nfs/dbraw/zinc/15/11/37/178151137.db2.gz BUKSRQVXMULGAP-UHFFFAOYSA-N 1 2 242.282 1.854 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ncccn2)o1 ZINC000576361661 365578507 /nfs/dbraw/zinc/57/85/07/365578507.db2.gz RERCHLFXPMOVPX-UHFFFAOYSA-N 1 2 217.272 1.922 20 0 BDADLO Cc1cc(NCC(C)(C)O)nc(C2CC2)[nH+]1 ZINC000265336989 178157368 /nfs/dbraw/zinc/15/73/68/178157368.db2.gz HVNYBGHLDMTOHT-UHFFFAOYSA-N 1 2 221.304 1.845 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C)C(C)C ZINC000339574236 187329896 /nfs/dbraw/zinc/32/98/96/187329896.db2.gz OMWFJSSCAKGRLX-OPQQBVKSSA-N 1 2 240.347 1.056 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](C)[C@H]1C)C(C)C ZINC000339574236 187329898 /nfs/dbraw/zinc/32/98/98/187329898.db2.gz OMWFJSSCAKGRLX-OPQQBVKSSA-N 1 2 240.347 1.056 20 0 BDADLO Cc1cc(NCCc2ccncc2)nc[nH+]1 ZINC000040727269 178162998 /nfs/dbraw/zinc/16/29/98/178162998.db2.gz ZSWFZFCHWSPFEP-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO Cc1cc(NC[C@@]2(C)CCOC2)nc[nH+]1 ZINC000309142837 178166793 /nfs/dbraw/zinc/16/67/93/178166793.db2.gz HQHVLSMYDROCCO-LLVKDONJSA-N 1 2 207.277 1.624 20 0 BDADLO Cc1cc(NC[C@H](C)Cn2cccn2)nc[nH+]1 ZINC000301234063 178168783 /nfs/dbraw/zinc/16/87/83/178168783.db2.gz GTFQOJDHVSTRLC-JTQLQIEISA-N 1 2 231.303 1.730 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000649422578 398221323 /nfs/dbraw/zinc/22/13/23/398221323.db2.gz QCNIPCZIWWZBFU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000649422578 398221324 /nfs/dbraw/zinc/22/13/24/398221324.db2.gz QCNIPCZIWWZBFU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000649422578 398221325 /nfs/dbraw/zinc/22/13/25/398221325.db2.gz QCNIPCZIWWZBFU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc(C)[nH+]cn2)[nH]1 ZINC000336781223 178180347 /nfs/dbraw/zinc/18/03/47/178180347.db2.gz UCPZBSPFOXNWTR-ZETCQYMHSA-N 1 2 218.264 1.385 20 0 BDADLO Cc1cc(N[C@H](C(N)=O)C(C)C)nc(C2CC2)[nH+]1 ZINC000269133930 178183816 /nfs/dbraw/zinc/18/38/16/178183816.db2.gz ICAINYDIXZNZNQ-NSHDSACASA-N 1 2 248.330 1.584 20 0 BDADLO Cc1cc(N[C@H](C)c2ncnn2C)nc[nH+]1 ZINC000309769241 178187334 /nfs/dbraw/zinc/18/73/34/178187334.db2.gz KCPLAFZVRWPENV-MRVPVSSYSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@@H]23)nc[nH+]1 ZINC000328790161 178187430 /nfs/dbraw/zinc/18/74/30/178187430.db2.gz LDXZSVNEWDWPBC-QWRGUYRKSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1cc(N[C@H](CO)Cc2ccccc2)nc[nH+]1 ZINC000063218888 178187956 /nfs/dbraw/zinc/18/79/56/178187956.db2.gz LNBCNDDHFXMXEL-ZDUSSCGKSA-N 1 2 243.310 1.801 20 0 BDADLO Cc1cc(N[C@H](CCO)C2CC2)nc[nH+]1 ZINC000301353056 178187995 /nfs/dbraw/zinc/18/79/95/178187995.db2.gz MAYMZVALYHBZCN-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000264175343 187331887 /nfs/dbraw/zinc/33/18/87/187331887.db2.gz MKTZTYPRMFPAHR-JTQLQIEISA-N 1 2 238.335 1.606 20 0 BDADLO Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)nn1 ZINC000605433284 343987495 /nfs/dbraw/zinc/98/74/95/343987495.db2.gz XBTGZDJWQGWOHO-UHFFFAOYSA-N 1 2 229.287 1.412 20 0 BDADLO CC[N@H+](Cc1nn(C)c(C)c1Cl)[C@@H](C)CO ZINC000421380072 192324226 /nfs/dbraw/zinc/32/42/26/192324226.db2.gz JFFCWQOCHPUTDM-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO CC[N@@H+](Cc1nn(C)c(C)c1Cl)[C@@H](C)CO ZINC000421380072 192324228 /nfs/dbraw/zinc/32/42/28/192324228.db2.gz JFFCWQOCHPUTDM-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO CCC(O)(CC)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276483744 538932668 /nfs/dbraw/zinc/93/26/68/538932668.db2.gz SONATNYGHLITBU-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO CCC(O)(CC)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276483744 538932669 /nfs/dbraw/zinc/93/26/69/538932669.db2.gz SONATNYGHLITBU-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2ccco2)nn1 ZINC000189935056 192030612 /nfs/dbraw/zinc/03/06/12/192030612.db2.gz MGRXVFKKPXBPIA-UHFFFAOYSA-N 1 2 234.303 1.916 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)CC(=O)N1 ZINC000650051461 398227463 /nfs/dbraw/zinc/22/74/63/398227463.db2.gz IPKUDGYFAAIJHA-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)CC(=O)N1 ZINC000650051461 398227466 /nfs/dbraw/zinc/22/74/66/398227466.db2.gz IPKUDGYFAAIJHA-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000276489186 538932131 /nfs/dbraw/zinc/93/21/31/538932131.db2.gz ULNUMXABXJANGB-AOOOYVTPSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000276489186 538932133 /nfs/dbraw/zinc/93/21/33/538932133.db2.gz ULNUMXABXJANGB-AOOOYVTPSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1cc(OCc2c[nH+]cn2C)nn1C ZINC000270885359 178213359 /nfs/dbraw/zinc/21/33/59/178213359.db2.gz GFTIGGKAUZYMSI-UHFFFAOYSA-N 1 2 206.249 1.041 20 0 BDADLO CC(C)[C@@H](NC(=O)Cc1cc[nH]n1)c1[nH]cc[nH+]1 ZINC000276734688 538932925 /nfs/dbraw/zinc/93/29/25/538932925.db2.gz UESTXFURFXFZRL-LLVKDONJSA-N 1 2 247.302 1.189 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCSC1 ZINC000334233782 136224600 /nfs/dbraw/zinc/22/46/00/136224600.db2.gz YMOVOYIFZSRVNZ-VIFPVBQESA-N 1 2 239.344 1.132 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)no1 ZINC000309804465 178231464 /nfs/dbraw/zinc/23/14/64/178231464.db2.gz RUDCFXWCMGIYHG-RKDXNWHRSA-N 1 2 225.292 1.110 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnn2ccccc12 ZINC000179815125 259305211 /nfs/dbraw/zinc/30/52/11/259305211.db2.gz URXZKNAFNZRZFZ-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnn2ccccc12 ZINC000179815125 259305212 /nfs/dbraw/zinc/30/52/12/259305212.db2.gz URXZKNAFNZRZFZ-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1cc([C@H](C)NCC[NH+]2CCC2)no1 ZINC000336758448 178246775 /nfs/dbraw/zinc/24/67/75/178246775.db2.gz KOZGOJBGGCLZRK-JTQLQIEISA-N 1 2 209.293 1.339 20 0 BDADLO Cc1cc([C@H](C)NCC[NH+]2CCC2)nn1C ZINC000336749549 178246781 /nfs/dbraw/zinc/24/67/81/178246781.db2.gz UCZDPNLJOCTMJM-NSHDSACASA-N 1 2 222.336 1.085 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nncn2C)oc1C ZINC000282337700 178251380 /nfs/dbraw/zinc/25/13/80/178251380.db2.gz VCHXNNMWYDFOOO-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@H](C)C1 ZINC000269594673 187333558 /nfs/dbraw/zinc/33/35/58/187333558.db2.gz UDQCJRONNJSPBP-JQWIXIFHSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@H](C)C1 ZINC000269594673 187333560 /nfs/dbraw/zinc/33/35/60/187333560.db2.gz UDQCJRONNJSPBP-JQWIXIFHSA-N 1 2 234.299 1.638 20 0 BDADLO CC(C)=CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000281523244 538939132 /nfs/dbraw/zinc/93/91/32/538939132.db2.gz HKEKTALFYXSDSJ-UHFFFAOYSA-N 1 2 207.277 1.425 20 0 BDADLO CC(C)=CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000281523244 538939133 /nfs/dbraw/zinc/93/91/33/538939133.db2.gz HKEKTALFYXSDSJ-UHFFFAOYSA-N 1 2 207.277 1.425 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000270226391 187334496 /nfs/dbraw/zinc/33/44/96/187334496.db2.gz PKVQRBCWQURSJD-JTQLQIEISA-N 1 2 239.344 1.237 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC(C)(C)C1CCC1 ZINC000576467857 365603629 /nfs/dbraw/zinc/60/36/29/365603629.db2.gz XQRZQQVLKPNWJK-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cc2c(NCCn3cc[nH+]c3)nccn2n1 ZINC000129260724 178280443 /nfs/dbraw/zinc/28/04/43/178280443.db2.gz KYAVYUAULNISBV-UHFFFAOYSA-N 1 2 242.286 1.346 20 0 BDADLO FC(F)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000361795801 398248346 /nfs/dbraw/zinc/24/83/46/398248346.db2.gz CQHUVELKOHWLIB-UHFFFAOYSA-N 1 2 224.214 1.366 20 0 BDADLO CCC(CC)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278425316 168365797 /nfs/dbraw/zinc/36/57/97/168365797.db2.gz PBQNHEGDECQWPK-UHFFFAOYSA-N 1 2 248.334 1.794 20 0 BDADLO CC1(C)[C@@H]2CN(c3cc(CO)cc[nH+]3)C[C@@H]21 ZINC000380406987 398250537 /nfs/dbraw/zinc/25/05/37/398250537.db2.gz WDZSENBTHHQTOK-PHIMTYICSA-N 1 2 218.300 1.666 20 0 BDADLO Cc1c[nH]c(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000288431451 538945292 /nfs/dbraw/zinc/94/52/92/538945292.db2.gz OGIYNRTUFCTNBE-UHFFFAOYSA-N 1 2 219.248 1.013 20 0 BDADLO Cc1c[nH]c(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000288431451 538945293 /nfs/dbraw/zinc/94/52/93/538945293.db2.gz OGIYNRTUFCTNBE-UHFFFAOYSA-N 1 2 219.248 1.013 20 0 BDADLO Cc1cc([C@H](C)[NH2+]C2COCCOC2)no1 ZINC000381307388 398251336 /nfs/dbraw/zinc/25/13/36/398251336.db2.gz KFCUVOFLCWZHOY-VIFPVBQESA-N 1 2 226.276 1.049 20 0 BDADLO CC(C)(C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000073905548 343996521 /nfs/dbraw/zinc/99/65/21/343996521.db2.gz OHNNEIRSQIDMMD-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000290562939 538946827 /nfs/dbraw/zinc/94/68/27/538946827.db2.gz WDURUYWXCQLFKR-QMMMGPOBSA-N 1 2 222.292 1.018 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCc1ccoc1 ZINC000290935534 538946863 /nfs/dbraw/zinc/94/68/63/538946863.db2.gz ZJBWEEVDEDGVJN-UHFFFAOYSA-N 1 2 234.259 1.013 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000290894025 538946958 /nfs/dbraw/zinc/94/69/58/538946958.db2.gz UHJFQIRHOKZTPY-ZJUUUORDSA-N 1 2 238.335 1.654 20 0 BDADLO Cn1c[nH+]cc1CNc1ccnc2c1cnn2C ZINC000291178120 538947424 /nfs/dbraw/zinc/94/74/24/538947424.db2.gz ROMSUVYMLWRBSX-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]cn2C)c1C ZINC000291560387 538947883 /nfs/dbraw/zinc/94/78/83/538947883.db2.gz ZYHHLJISTZDUSU-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000602488075 349569673 /nfs/dbraw/zinc/56/96/73/349569673.db2.gz ZLZRQCVXSBHFMY-JQWIXIFHSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000602488075 349569676 /nfs/dbraw/zinc/56/96/76/349569676.db2.gz ZLZRQCVXSBHFMY-JQWIXIFHSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178363922 538952724 /nfs/dbraw/zinc/95/27/24/538952724.db2.gz CXQPKOVWPLSCTG-ONGXEEELSA-N 1 2 229.283 1.607 20 0 BDADLO C[N@H+](CCO)Cc1ccn(-c2ccccc2F)n1 ZINC000188827235 346843837 /nfs/dbraw/zinc/84/38/37/346843837.db2.gz XXEYFRWINUBRBI-UHFFFAOYSA-N 1 2 249.289 1.436 20 0 BDADLO C[N@@H+](CCO)Cc1ccn(-c2ccccc2F)n1 ZINC000188827235 346843840 /nfs/dbraw/zinc/84/38/40/346843840.db2.gz XXEYFRWINUBRBI-UHFFFAOYSA-N 1 2 249.289 1.436 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1CC1(C)CCC1 ZINC000334673964 398272324 /nfs/dbraw/zinc/27/23/24/398272324.db2.gz ATBZOQJOWOQILW-SNVBAGLBSA-N 1 2 220.320 1.845 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1CC1(C)CCC1 ZINC000334673964 398272326 /nfs/dbraw/zinc/27/23/26/398272326.db2.gz ATBZOQJOWOQILW-SNVBAGLBSA-N 1 2 220.320 1.845 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636738526 349611463 /nfs/dbraw/zinc/61/14/63/349611463.db2.gz VATZDUYWUUFKCP-SCVCMEIPSA-N 1 2 248.330 1.296 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000600113512 342671524 /nfs/dbraw/zinc/67/15/24/342671524.db2.gz ZOIJKNHBSGYGRL-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000600113512 342671526 /nfs/dbraw/zinc/67/15/26/342671526.db2.gz ZOIJKNHBSGYGRL-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)S(=O)[C@@H](C)C2)[nH+]1 ZINC000600150736 342691331 /nfs/dbraw/zinc/69/13/31/342691331.db2.gz JSNFQYFPUVKPLY-UWVGGRQHSA-N 1 2 241.360 1.059 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399747426 342742585 /nfs/dbraw/zinc/74/25/85/342742585.db2.gz KSBYKTIYIVRNPA-DJLDLDEBSA-N 1 2 236.319 1.548 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399747426 342742586 /nfs/dbraw/zinc/74/25/86/342742586.db2.gz KSBYKTIYIVRNPA-DJLDLDEBSA-N 1 2 236.319 1.548 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399747425 342742590 /nfs/dbraw/zinc/74/25/90/342742590.db2.gz KSBYKTIYIVRNPA-CIUDSAMLSA-N 1 2 236.319 1.548 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399747425 342742591 /nfs/dbraw/zinc/74/25/91/342742591.db2.gz KSBYKTIYIVRNPA-CIUDSAMLSA-N 1 2 236.319 1.548 20 0 BDADLO CCCCOCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000605307107 342746758 /nfs/dbraw/zinc/74/67/58/342746758.db2.gz AERHHFREPMQZPU-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO C[C@H](CC(F)(F)F)[NH2+]Cc1ccn[nH]1 ZINC000167437020 361866322 /nfs/dbraw/zinc/86/63/22/361866322.db2.gz KKRILAAZEYHQIE-ZCFIWIBFSA-N 1 2 207.199 1.840 20 0 BDADLO CCOC1CC[NH+](Cc2nnc(CC)[nH]2)CC1 ZINC000184574383 538969178 /nfs/dbraw/zinc/96/91/78/538969178.db2.gz NUWJRKYTYCGODT-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO CC1(O)C[NH+](Cc2nccc3ccccc32)C1 ZINC000639254163 398285824 /nfs/dbraw/zinc/28/58/24/398285824.db2.gz MAUHNVGTXOZNOK-UHFFFAOYSA-N 1 2 228.295 1.801 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649487924 398286054 /nfs/dbraw/zinc/28/60/54/398286054.db2.gz VEXBGKZROACMRY-WCQYABFASA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649487924 398286057 /nfs/dbraw/zinc/28/60/57/398286057.db2.gz VEXBGKZROACMRY-WCQYABFASA-N 1 2 249.358 1.829 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)[C@H]1CCOC1 ZINC000106886002 398286513 /nfs/dbraw/zinc/28/65/13/398286513.db2.gz MKGTWAWTCQKPDY-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@H]1CCOC1 ZINC000106886002 398286515 /nfs/dbraw/zinc/28/65/15/398286515.db2.gz MKGTWAWTCQKPDY-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO CCC(F)(F)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000623679710 398290247 /nfs/dbraw/zinc/29/02/47/398290247.db2.gz GSGGJPWGVSYLER-BDAKNGLRSA-N 1 2 206.280 1.571 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000624653843 342810697 /nfs/dbraw/zinc/81/06/97/342810697.db2.gz DJACIBZPFQCUNF-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000624653843 342810699 /nfs/dbraw/zinc/81/06/99/342810699.db2.gz DJACIBZPFQCUNF-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]CC(F)F)cn1 ZINC000379578852 538978806 /nfs/dbraw/zinc/97/88/06/538978806.db2.gz VJLXCTKZWVNYEO-UHFFFAOYSA-N 1 2 203.236 1.510 20 0 BDADLO COC(=O)c1cc(CNc2c[nH+]cc(C)c2)on1 ZINC000602575629 349624063 /nfs/dbraw/zinc/62/40/63/349624063.db2.gz TXQSRSPHQHGHOU-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000624670896 342815178 /nfs/dbraw/zinc/81/51/78/342815178.db2.gz XPMVXKSOLLRWRA-SMDDNHRTSA-N 1 2 248.326 1.689 20 0 BDADLO COc1ccc2[nH+]c(NCC3COC3)ccc2c1 ZINC000624679909 342818680 /nfs/dbraw/zinc/81/86/80/342818680.db2.gz JDISIDMGBBJWLZ-UHFFFAOYSA-N 1 2 244.294 1.724 20 0 BDADLO CC(C)Cc1ncc(C[N@H+](C)CC(N)=O)s1 ZINC000271030451 187335697 /nfs/dbraw/zinc/33/56/97/187335697.db2.gz CGDWQZMAZIPOOS-UHFFFAOYSA-N 1 2 241.360 1.259 20 0 BDADLO CC(C)Cc1ncc(C[N@@H+](C)CC(N)=O)s1 ZINC000271030451 187335699 /nfs/dbraw/zinc/33/56/99/187335699.db2.gz CGDWQZMAZIPOOS-UHFFFAOYSA-N 1 2 241.360 1.259 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000624725616 342822647 /nfs/dbraw/zinc/82/26/47/342822647.db2.gz JUHMFILIONMADP-MGCOHNPYSA-N 1 2 219.288 1.365 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000624728197 342822883 /nfs/dbraw/zinc/82/28/83/342822883.db2.gz XMPOIVWPQCSJCH-MGCOHNPYSA-N 1 2 229.283 1.641 20 0 BDADLO Cn1cc[nH+]c1-c1ccc(NCCCCO)nc1 ZINC000630053656 361923291 /nfs/dbraw/zinc/92/32/91/361923291.db2.gz XPFMWUHYYLKZHW-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)o1 ZINC000335464442 398289433 /nfs/dbraw/zinc/28/94/33/398289433.db2.gz DXRQZPDKVURXGJ-QFYYESIMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)o1 ZINC000335464442 398289435 /nfs/dbraw/zinc/28/94/35/398289435.db2.gz DXRQZPDKVURXGJ-QFYYESIMSA-N 1 2 241.356 1.931 20 0 BDADLO C/C=C\CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000624820242 342833970 /nfs/dbraw/zinc/83/39/70/342833970.db2.gz KPGPSVZXFOWJIY-ARJAWSKDSA-N 1 2 208.265 1.127 20 0 BDADLO C/C=C\CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000624820242 342833971 /nfs/dbraw/zinc/83/39/71/342833971.db2.gz KPGPSVZXFOWJIY-ARJAWSKDSA-N 1 2 208.265 1.127 20 0 BDADLO CC[N@@H+](Cc1cncnc1)C[C@H](O)C(F)(F)F ZINC000189866804 538985979 /nfs/dbraw/zinc/98/59/79/538985979.db2.gz PHNXASNNEULTIS-VIFPVBQESA-N 1 2 249.236 1.222 20 0 BDADLO CC[N@H+](Cc1cncnc1)C[C@H](O)C(F)(F)F ZINC000189866804 538985980 /nfs/dbraw/zinc/98/59/80/538985980.db2.gz PHNXASNNEULTIS-VIFPVBQESA-N 1 2 249.236 1.222 20 0 BDADLO C/C=C/CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000624824221 342832770 /nfs/dbraw/zinc/83/27/70/342832770.db2.gz YTDOVCFSMWJFBF-NSCUHMNNSA-N 1 2 248.330 1.875 20 0 BDADLO C[C@H](CCn1cccn1)Nc1c[nH]c[nH+]1 ZINC000380100537 538985331 /nfs/dbraw/zinc/98/53/31/538985331.db2.gz LPEDSKYLBXZWOX-SECBINFHSA-N 1 2 205.265 1.497 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C[C@@H]1F ZINC000381690543 539005641 /nfs/dbraw/zinc/00/56/41/539005641.db2.gz ZRRQKZQEHCJBPV-RQJHMYQMSA-N 1 2 244.701 1.897 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C[C@@H]1F ZINC000381690543 539005642 /nfs/dbraw/zinc/00/56/42/539005642.db2.gz ZRRQKZQEHCJBPV-RQJHMYQMSA-N 1 2 244.701 1.897 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335741422 398297036 /nfs/dbraw/zinc/29/70/36/398297036.db2.gz HYOLGJGHZWCNJF-SSDOTTSWSA-N 1 2 248.311 1.925 20 0 BDADLO CCc1cc(NCc2cc[nH]c(=O)c2)nc[nH+]1 ZINC000392746034 539028033 /nfs/dbraw/zinc/02/80/33/539028033.db2.gz ZDNDRAAMLHTDAP-UHFFFAOYSA-N 1 2 230.271 1.174 20 0 BDADLO COC[C@H]([NH2+]CC(F)F)[C@@H]1CCCO1 ZINC000389369384 539015842 /nfs/dbraw/zinc/01/58/42/539015842.db2.gz WTZYXFYBCJYTGH-YUMQZZPRSA-N 1 2 209.236 1.035 20 0 BDADLO Oc1cccc2c1C[C@H]([NH2+]CC(F)F)C2 ZINC000389851469 539017892 /nfs/dbraw/zinc/01/78/92/539017892.db2.gz VOXINQGNZZLGSI-MRVPVSSYSA-N 1 2 213.227 1.714 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccccn1 ZINC000390127509 539019716 /nfs/dbraw/zinc/01/97/16/539019716.db2.gz IKDSZOKHUUMQJK-JTQLQIEISA-N 1 2 216.288 1.666 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N1CCC(C)(C)C1 ZINC000519836582 398307552 /nfs/dbraw/zinc/30/75/52/398307552.db2.gz TTZKKZZMGHLVMR-UHFFFAOYSA-N 1 2 246.318 1.012 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000134593017 342871364 /nfs/dbraw/zinc/87/13/64/342871364.db2.gz GTYGAMNYFBDWSL-OMQMVUIESA-N 1 2 243.376 1.526 20 0 BDADLO C[N@H+](Cc1nccs1)C1(C(N)=O)CCCC1 ZINC000093211217 398309467 /nfs/dbraw/zinc/30/94/67/398309467.db2.gz XVWWIKPKWHBNLM-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO C[N@@H+](Cc1nccs1)C1(C(N)=O)CCCC1 ZINC000093211217 398309468 /nfs/dbraw/zinc/30/94/68/398309468.db2.gz XVWWIKPKWHBNLM-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO COCCc1nc(C[N@H+](C)[C@H](C)C(C)C)no1 ZINC000351387357 136245473 /nfs/dbraw/zinc/24/54/73/136245473.db2.gz PUVYGIMGMUWCIH-SNVBAGLBSA-N 1 2 241.335 1.735 20 0 BDADLO COCCc1nc(C[N@@H+](C)[C@H](C)C(C)C)no1 ZINC000351387357 136245474 /nfs/dbraw/zinc/24/54/74/136245474.db2.gz PUVYGIMGMUWCIH-SNVBAGLBSA-N 1 2 241.335 1.735 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000134842097 342898778 /nfs/dbraw/zinc/89/87/78/342898778.db2.gz BFDFLXYWLKMWCR-UHFFFAOYSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000134842097 342898779 /nfs/dbraw/zinc/89/87/79/342898779.db2.gz BFDFLXYWLKMWCR-UHFFFAOYSA-N 1 2 241.335 1.471 20 0 BDADLO CC[C@@H]1COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813587 529409453 /nfs/dbraw/zinc/40/94/53/529409453.db2.gz PTDLFGWGQLIHRT-DLRQAJBASA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCc2cncnc2C1 ZINC000336475715 398319306 /nfs/dbraw/zinc/31/93/06/398319306.db2.gz LRVUBXLCBCCHIR-SNVBAGLBSA-N 1 2 209.268 1.583 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCc2cncnc2C1 ZINC000336475715 398319307 /nfs/dbraw/zinc/31/93/07/398319307.db2.gz LRVUBXLCBCCHIR-SNVBAGLBSA-N 1 2 209.268 1.583 20 0 BDADLO CCO[C@H](C[N@H+](C)CC(F)F)C1CC1 ZINC000625136359 342887370 /nfs/dbraw/zinc/88/73/70/342887370.db2.gz KXPPPVXCSIUYCE-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO CCO[C@H](C[N@@H+](C)CC(F)F)C1CC1 ZINC000625136359 342887371 /nfs/dbraw/zinc/88/73/71/342887371.db2.gz KXPPPVXCSIUYCE-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C12CC(C1)C2 ZINC000625195775 342907630 /nfs/dbraw/zinc/90/76/30/342907630.db2.gz QEHVUXLOZYBWSN-IQLKVPPVSA-N 1 2 245.326 1.916 20 0 BDADLO Cc1cnn(C)c1CNc1cccc(CO)[nH+]1 ZINC000351567305 136247009 /nfs/dbraw/zinc/24/70/09/136247009.db2.gz IAJRBRAQANEOON-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO CCOC1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000584015712 342903725 /nfs/dbraw/zinc/90/37/25/342903725.db2.gz TWFLIGJFQGOZSJ-JTQLQIEISA-N 1 2 249.314 1.077 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000037250909 342925998 /nfs/dbraw/zinc/92/59/98/342925998.db2.gz AVAYJLKVQHXDRI-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000037250909 342925999 /nfs/dbraw/zinc/92/59/99/342925999.db2.gz AVAYJLKVQHXDRI-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO Cn1cc[nH+]c1C[C@H](NC(N)=O)c1ccccc1 ZINC000080629717 342927901 /nfs/dbraw/zinc/92/79/01/342927901.db2.gz JJIYOTBJYHWJBB-NSHDSACASA-N 1 2 244.298 1.372 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NCC(C)(C)C)[C@@H]1C ZINC000625222681 342919655 /nfs/dbraw/zinc/91/96/55/342919655.db2.gz GNBWVFWLUWINMT-GHMZBOCLSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NCC(C)(C)C)[C@@H]1C ZINC000625222681 342919656 /nfs/dbraw/zinc/91/96/56/342919656.db2.gz GNBWVFWLUWINMT-GHMZBOCLSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000625222685 342919752 /nfs/dbraw/zinc/91/97/52/342919752.db2.gz GNBWVFWLUWINMT-MNOVXSKESA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625222685 342919753 /nfs/dbraw/zinc/91/97/53/342919753.db2.gz GNBWVFWLUWINMT-MNOVXSKESA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(C)cn1 ZINC000505602299 529416624 /nfs/dbraw/zinc/41/66/24/529416624.db2.gz NELQCHNOGOTNAN-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnc(C)cn1 ZINC000505602299 529416627 /nfs/dbraw/zinc/41/66/27/529416627.db2.gz NELQCHNOGOTNAN-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO COC[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)OC ZINC000602635871 349650667 /nfs/dbraw/zinc/65/06/67/349650667.db2.gz SCSPIACENROEHH-KXNHARMFSA-N 1 2 241.331 1.200 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348251615 536630586 /nfs/dbraw/zinc/63/05/86/536630586.db2.gz WWKGHUHUMJHBMV-BIIVOSGPSA-N 1 2 239.237 1.821 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348251615 536630591 /nfs/dbraw/zinc/63/05/91/536630591.db2.gz WWKGHUHUMJHBMV-BIIVOSGPSA-N 1 2 239.237 1.821 20 0 BDADLO CC(C)(F)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271069770 187335920 /nfs/dbraw/zinc/33/59/20/187335920.db2.gz KTEPAAMQCPOSQP-SECBINFHSA-N 1 2 239.294 1.864 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)o2)[C@@H](C)C1 ZINC000271168649 187336080 /nfs/dbraw/zinc/33/60/80/187336080.db2.gz GQPWMXCHDHMVHJ-JTQLQIEISA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)o2)[C@@H](C)C1 ZINC000271168649 187336081 /nfs/dbraw/zinc/33/60/81/187336081.db2.gz GQPWMXCHDHMVHJ-JTQLQIEISA-N 1 2 236.315 1.641 20 0 BDADLO CO[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120161829 398337076 /nfs/dbraw/zinc/33/70/76/398337076.db2.gz RPMKSVPYBQLJQL-VHSXEESVSA-N 1 2 237.303 1.498 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@@H](C)C1 ZINC000079601731 398338264 /nfs/dbraw/zinc/33/82/64/398338264.db2.gz XQCGCDGAOBTHJG-QWRGUYRKSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@@H](C)C1 ZINC000079601731 398338265 /nfs/dbraw/zinc/33/82/65/398338265.db2.gz XQCGCDGAOBTHJG-QWRGUYRKSA-N 1 2 206.289 1.863 20 0 BDADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(F)(F)F ZINC000493599134 529456830 /nfs/dbraw/zinc/45/68/30/529456830.db2.gz ZYBFZUOKJAZWCZ-SDLBARTOSA-N 1 2 247.220 1.880 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000355114086 398331503 /nfs/dbraw/zinc/33/15/03/398331503.db2.gz CQBIXAJFLHRXAY-WOPDTQHZSA-N 1 2 247.342 1.782 20 0 BDADLO CC[C@@](C)([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000308586957 346886002 /nfs/dbraw/zinc/88/60/02/346886002.db2.gz ISMOTEWZKMEZIZ-PSASIEDQSA-N 1 2 205.273 1.666 20 0 BDADLO COCCC[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000350062954 536662930 /nfs/dbraw/zinc/66/29/30/536662930.db2.gz DQQZTXRTQJELHW-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO CC1=NN(CC[NH+]2CCCCC2)C(=O)[C@H]1C ZINC000634592403 342946275 /nfs/dbraw/zinc/94/62/75/342946275.db2.gz IMMRRCQWMISDAV-JTQLQIEISA-N 1 2 223.320 1.327 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ncc(C)o1 ZINC000075680885 344015197 /nfs/dbraw/zinc/01/51/97/344015197.db2.gz WTYKZEJBDTWAFS-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ncc(C)o1 ZINC000075680885 344015200 /nfs/dbraw/zinc/01/52/00/344015200.db2.gz WTYKZEJBDTWAFS-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)[C@H](C)OC ZINC000602695270 349691434 /nfs/dbraw/zinc/69/14/34/349691434.db2.gz NGWYQCPKGNKLER-YWVKMMECSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCCOC2)C[C@H](C)[S@@]1=O ZINC000616823264 346904941 /nfs/dbraw/zinc/90/49/41/346904941.db2.gz ISVBJPCXZAATKQ-DDIVZENXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCCOC2)C[C@H](C)[S@@]1=O ZINC000616823264 346904945 /nfs/dbraw/zinc/90/49/45/346904945.db2.gz ISVBJPCXZAATKQ-DDIVZENXSA-N 1 2 231.361 1.007 20 0 BDADLO CC(C)c1nc(N2CCCNC(=O)[C@H]2C)cc[nH+]1 ZINC000302759201 187207260 /nfs/dbraw/zinc/20/72/60/187207260.db2.gz JSHMLKBVGPTVGF-SNVBAGLBSA-N 1 2 248.330 1.315 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H](C)OC ZINC000602701435 349696965 /nfs/dbraw/zinc/69/69/65/349696965.db2.gz SKRUWKKNKLQMTQ-DCAQKATOSA-N 1 2 245.363 1.977 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H]1COC ZINC000492813497 529552029 /nfs/dbraw/zinc/55/20/29/529552029.db2.gz YYKPJCAWUHKRSH-ZWNMCFTASA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC[C@@H](C)F ZINC000493127302 529553798 /nfs/dbraw/zinc/55/37/98/529553798.db2.gz RQKRLVWJTZLMIQ-ORAHPGNNSA-N 1 2 239.294 1.781 20 0 BDADLO CCO[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000625617504 344020109 /nfs/dbraw/zinc/02/01/09/344020109.db2.gz DYXHAUJGUNDLKY-GFCCVEGCSA-N 1 2 249.314 1.082 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000626182871 346908644 /nfs/dbraw/zinc/90/86/44/346908644.db2.gz CAJDYCWUUMZRNB-LBPRGKRZSA-N 1 2 249.314 1.139 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000626182871 346908647 /nfs/dbraw/zinc/90/86/47/346908647.db2.gz CAJDYCWUUMZRNB-LBPRGKRZSA-N 1 2 249.314 1.139 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000493522057 529560473 /nfs/dbraw/zinc/56/04/73/529560473.db2.gz LIFQMJATXIWEKB-KWKBKKAHSA-N 1 2 249.314 1.210 20 0 BDADLO CC[C@](C)(C[NH2+][C@@](C)(CCF)C(=O)OC)OC ZINC000602715318 349706412 /nfs/dbraw/zinc/70/64/12/349706412.db2.gz DUROGPRYEZZTQX-NEPJUHHUSA-N 1 2 249.326 1.682 20 0 BDADLO CCOC(=O)[C@]1(C)C[N@H+](CC=C(C)C)CCO1 ZINC000602745298 349710951 /nfs/dbraw/zinc/71/09/51/349710951.db2.gz FVQGMFCJIOANET-ZDUSSCGKSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)[C@]1(C)C[N@@H+](CC=C(C)C)CCO1 ZINC000602745298 349710954 /nfs/dbraw/zinc/71/09/54/349710954.db2.gz FVQGMFCJIOANET-ZDUSSCGKSA-N 1 2 241.331 1.607 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1O ZINC000357187164 187214692 /nfs/dbraw/zinc/21/46/92/187214692.db2.gz YAOVSMFLTYOYPR-UHFFFAOYSA-N 1 2 245.282 1.697 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C/C1CC1 ZINC000493081384 529569783 /nfs/dbraw/zinc/56/97/83/529569783.db2.gz GYBZUJKTDGQKSY-AATRIKPKSA-N 1 2 219.288 1.485 20 0 BDADLO C[C@@H](c1ccccc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634599445 342988497 /nfs/dbraw/zinc/98/84/97/342988497.db2.gz IRYHRPAYHOOJLT-CMPLNLGQSA-N 1 2 243.310 1.555 20 0 BDADLO COC(=O)C1([NH2+]CCc2cnccn2)CCCC1 ZINC000602794155 349735571 /nfs/dbraw/zinc/73/55/71/349735571.db2.gz GUKRFEXBAJTNIB-UHFFFAOYSA-N 1 2 249.314 1.095 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000602763848 349734414 /nfs/dbraw/zinc/73/44/14/349734414.db2.gz FBFVXUBHJPKREB-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000602763848 349734417 /nfs/dbraw/zinc/73/44/17/349734417.db2.gz FBFVXUBHJPKREB-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO CC(C)[N@H+](Cc1csnn1)[C@H]1CCOC1 ZINC000361062006 187219030 /nfs/dbraw/zinc/21/90/30/187219030.db2.gz RWCPGLVAMVEYJG-JTQLQIEISA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)[N@@H+](Cc1csnn1)[C@H]1CCOC1 ZINC000361062006 187219031 /nfs/dbraw/zinc/21/90/31/187219031.db2.gz RWCPGLVAMVEYJG-JTQLQIEISA-N 1 2 227.333 1.537 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000602829137 349766724 /nfs/dbraw/zinc/76/67/24/349766724.db2.gz PUYAPMGJYVYVQR-NSHDSACASA-N 1 2 249.318 1.318 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000602829137 349766728 /nfs/dbraw/zinc/76/67/28/349766728.db2.gz PUYAPMGJYVYVQR-NSHDSACASA-N 1 2 249.318 1.318 20 0 BDADLO CC(C)[N@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362926942 187219713 /nfs/dbraw/zinc/21/97/13/187219713.db2.gz DWRHXHATGQNZFK-UHFFFAOYSA-N 1 2 244.289 1.916 20 0 BDADLO CC(C)[N@@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362926942 187219716 /nfs/dbraw/zinc/21/97/16/187219716.db2.gz DWRHXHATGQNZFK-UHFFFAOYSA-N 1 2 244.289 1.916 20 0 BDADLO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000361561604 187217995 /nfs/dbraw/zinc/21/79/95/187217995.db2.gz FXAWWJCXTIDRKH-LBPRGKRZSA-N 1 2 249.358 1.758 20 0 BDADLO CCN(C)c1ccc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000361561604 187217997 /nfs/dbraw/zinc/21/79/97/187217997.db2.gz FXAWWJCXTIDRKH-LBPRGKRZSA-N 1 2 249.358 1.758 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C(C)C ZINC000602810452 349754586 /nfs/dbraw/zinc/75/45/86/349754586.db2.gz LUSFLAVRWPCLKB-LLVKDONJSA-N 1 2 238.287 1.074 20 0 BDADLO CC1(C)CCC[C@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634626109 343030995 /nfs/dbraw/zinc/03/09/95/343030995.db2.gz XEWLXJGUZXXEER-GXSJLCMTSA-N 1 2 235.331 1.373 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000335908606 136261825 /nfs/dbraw/zinc/26/18/25/136261825.db2.gz TUSAWNUAGOSHRM-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000335908606 136261826 /nfs/dbraw/zinc/26/18/26/136261826.db2.gz TUSAWNUAGOSHRM-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1nc2ccccn2c1C[N@H+]1CCOC[C@H]1C ZINC000351880080 136261911 /nfs/dbraw/zinc/26/19/11/136261911.db2.gz WFWFGDIFJQUCIM-LLVKDONJSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1nc2ccccn2c1C[N@@H+]1CCOC[C@H]1C ZINC000351880080 136261912 /nfs/dbraw/zinc/26/19/12/136261912.db2.gz WFWFGDIFJQUCIM-LLVKDONJSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC000335909693 136261947 /nfs/dbraw/zinc/26/19/47/136261947.db2.gz OHNQTKJRKNBGIX-JQWIXIFHSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC000335909693 136261948 /nfs/dbraw/zinc/26/19/48/136261948.db2.gz OHNQTKJRKNBGIX-JQWIXIFHSA-N 1 2 224.279 1.295 20 0 BDADLO CC[C@](C)(C(=O)OC)[N@@H+](CC(C)=O)CC1CC1 ZINC000602848535 349783213 /nfs/dbraw/zinc/78/32/13/349783213.db2.gz VZZYFZZZZKPOGF-CYBMUJFWSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@](C)(C(=O)OC)[N@H+](CC(C)=O)CC1CC1 ZINC000602848535 349783216 /nfs/dbraw/zinc/78/32/16/349783216.db2.gz VZZYFZZZZKPOGF-CYBMUJFWSA-N 1 2 241.331 1.629 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000227830009 536797638 /nfs/dbraw/zinc/79/76/38/536797638.db2.gz SLKZCNGEXJCDEY-NXEZZACHSA-N 1 2 209.293 1.313 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccncc1 ZINC000169798422 343044437 /nfs/dbraw/zinc/04/44/37/343044437.db2.gz LOZISZJPOFWJFW-LLVKDONJSA-N 1 2 242.282 1.023 20 0 BDADLO O=c1cc(C2CC2)[nH]n1CCCn1cc[nH+]c1 ZINC000634634282 343047269 /nfs/dbraw/zinc/04/72/69/343047269.db2.gz UEDGZZHZIMCQJY-UHFFFAOYSA-N 1 2 232.287 1.272 20 0 BDADLO Cn1cc[nH+]c1-c1cccc(NC(=O)CO)c1 ZINC000305733188 187226180 /nfs/dbraw/zinc/22/61/80/187226180.db2.gz VUACEWGMXHLXJE-UHFFFAOYSA-N 1 2 231.255 1.018 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)C(=O)OC ZINC000308384071 529663054 /nfs/dbraw/zinc/66/30/54/529663054.db2.gz YZDKNLKGJVINEI-HBNTYKKESA-N 1 2 241.331 1.485 20 0 BDADLO CNC(=O)CCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000576833655 365698946 /nfs/dbraw/zinc/69/89/46/365698946.db2.gz AOKYRLQEEGNVIS-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CNC(=O)CCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000576833655 365698949 /nfs/dbraw/zinc/69/89/49/365698949.db2.gz AOKYRLQEEGNVIS-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC1(C)C ZINC000576838031 365701001 /nfs/dbraw/zinc/70/10/01/365701001.db2.gz SLKBVOTYJHBEDH-GXSJLCMTSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC1(C)C ZINC000576838031 365701007 /nfs/dbraw/zinc/70/10/07/365701007.db2.gz SLKBVOTYJHBEDH-GXSJLCMTSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC1(C)C ZINC000576838035 365701159 /nfs/dbraw/zinc/70/11/59/365701159.db2.gz SLKBVOTYJHBEDH-MWLCHTKSSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC1(C)C ZINC000576838035 365701163 /nfs/dbraw/zinc/70/11/63/365701163.db2.gz SLKBVOTYJHBEDH-MWLCHTKSSA-N 1 2 235.331 1.893 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000576844582 365702638 /nfs/dbraw/zinc/70/26/38/365702638.db2.gz DWTGJUUHPFMAJP-ZETCQYMHSA-N 1 2 234.271 1.957 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000576844582 365702640 /nfs/dbraw/zinc/70/26/40/365702640.db2.gz DWTGJUUHPFMAJP-ZETCQYMHSA-N 1 2 234.271 1.957 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CO[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000229518366 343107267 /nfs/dbraw/zinc/10/72/67/343107267.db2.gz AHFFNVISZXNZMM-DJLDLDEBSA-N 1 2 223.276 1.012 20 0 BDADLO c1cn(Cc2cn(CC3CCC3)nn2)c[nH+]1 ZINC000640947688 362094429 /nfs/dbraw/zinc/09/44/29/362094429.db2.gz NHEZPEVHPPORQZ-UHFFFAOYSA-N 1 2 217.276 1.323 20 0 BDADLO CC[C@H](C)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000640941864 362083716 /nfs/dbraw/zinc/08/37/16/362083716.db2.gz HWJCMFWVVACOBL-NSHDSACASA-N 1 2 240.351 1.402 20 0 BDADLO CC[C@H](C)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000640941864 362083721 /nfs/dbraw/zinc/08/37/21/362083721.db2.gz HWJCMFWVVACOBL-NSHDSACASA-N 1 2 240.351 1.402 20 0 BDADLO CCc1noc(C[N@H+](C)C2(COC)CC2)n1 ZINC000677728368 488203615 /nfs/dbraw/zinc/20/36/15/488203615.db2.gz VSIIARNHNRACPB-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@@H+](C)C2(COC)CC2)n1 ZINC000677728368 488203617 /nfs/dbraw/zinc/20/36/17/488203617.db2.gz VSIIARNHNRACPB-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCO[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579296 192355856 /nfs/dbraw/zinc/35/58/56/192355856.db2.gz UDVUDZJKGYWPKF-LLVKDONJSA-N 1 2 236.315 1.740 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000677729229 488204506 /nfs/dbraw/zinc/20/45/06/488204506.db2.gz ASJZXLRAYAJFDI-SSDOTTSWSA-N 1 2 231.246 1.719 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000677729229 488204508 /nfs/dbraw/zinc/20/45/08/488204508.db2.gz ASJZXLRAYAJFDI-SSDOTTSWSA-N 1 2 231.246 1.719 20 0 BDADLO CC(C)SCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125381613 343173136 /nfs/dbraw/zinc/17/31/36/343173136.db2.gz BGYBICFOFMRTRB-MRVPVSSYSA-N 1 2 227.333 1.729 20 0 BDADLO CC(C)OCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125417267 343173385 /nfs/dbraw/zinc/17/33/85/343173385.db2.gz OXUQTSSKUHKSLB-MRVPVSSYSA-N 1 2 211.265 1.012 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000125417766 343173417 /nfs/dbraw/zinc/17/34/17/343173417.db2.gz XLTMPZHAMAGXCA-HTQZYQBOSA-N 1 2 225.317 1.340 20 0 BDADLO Cc1occc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125401564 343173584 /nfs/dbraw/zinc/17/35/84/343173584.db2.gz MTVSQGURLTVGQS-SSDOTTSWSA-N 1 2 219.244 1.802 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)OC(C)(C)C ZINC000128536837 343175021 /nfs/dbraw/zinc/17/50/21/343175021.db2.gz VGTOTHSDPUTCTJ-GUBZILKMSA-N 1 2 243.347 1.466 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000134806384 343195653 /nfs/dbraw/zinc/19/56/53/343195653.db2.gz QYFPMCSIUIHZGN-IUCAKERBSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H](C)C[C@H](C)C1 ZINC000134806384 343195655 /nfs/dbraw/zinc/19/56/55/343195655.db2.gz QYFPMCSIUIHZGN-IUCAKERBSA-N 1 2 236.319 1.550 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(C)C ZINC000160212333 343203580 /nfs/dbraw/zinc/20/35/80/343203580.db2.gz HLUJYUIFKYUYGK-WDEREUQCSA-N 1 2 243.347 1.731 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C(C)C)C1 ZINC000163749083 343207182 /nfs/dbraw/zinc/20/71/82/343207182.db2.gz NWAVZFABTAUEQV-SECBINFHSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C(C)C)C1 ZINC000163749083 343207183 /nfs/dbraw/zinc/20/71/83/343207183.db2.gz NWAVZFABTAUEQV-SECBINFHSA-N 1 2 236.319 1.550 20 0 BDADLO CC[C@@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000168371960 343209839 /nfs/dbraw/zinc/20/98/39/343209839.db2.gz GLTWFUJFUBPUCF-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@H]1COCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000210999259 343215520 /nfs/dbraw/zinc/21/55/20/343215520.db2.gz ZRWABJFFZOBGJF-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCCCO1 ZINC000134862867 343191268 /nfs/dbraw/zinc/19/12/68/343191268.db2.gz SJYJIPFLFTWJIZ-QMMMGPOBSA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCCCO1 ZINC000134862867 343191271 /nfs/dbraw/zinc/19/12/71/343191271.db2.gz SJYJIPFLFTWJIZ-QMMMGPOBSA-N 1 2 238.291 1.048 20 0 BDADLO O=C(CCC1CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428010497 259357366 /nfs/dbraw/zinc/35/73/66/259357366.db2.gz LSFYWASYXNSULK-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCSCC1 ZINC000082776931 136277154 /nfs/dbraw/zinc/27/71/54/136277154.db2.gz YEQINPCMBIVLGI-SECBINFHSA-N 1 2 231.361 1.765 20 0 BDADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)C(F)F ZINC000641023019 362137343 /nfs/dbraw/zinc/13/73/43/362137343.db2.gz DLQYBVDNERSFKP-QMMMGPOBSA-N 1 2 246.261 1.226 20 0 BDADLO CC(C)N1CC[N@H+](CCc2ccccn2)CC1=O ZINC000272577625 187337089 /nfs/dbraw/zinc/33/70/89/187337089.db2.gz NYBLKLZMQYOXAQ-UHFFFAOYSA-N 1 2 247.342 1.177 20 0 BDADLO CC(C)N1CC[N@@H+](CCc2ccccn2)CC1=O ZINC000272577625 187337090 /nfs/dbraw/zinc/33/70/90/187337090.db2.gz NYBLKLZMQYOXAQ-UHFFFAOYSA-N 1 2 247.342 1.177 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000034066795 343263712 /nfs/dbraw/zinc/26/37/12/343263712.db2.gz UVBPYTLVFSEPQF-SECBINFHSA-N 1 2 219.284 1.305 20 0 BDADLO CC[C@H](SC)C(=O)NCCc1c[nH+]cn1C ZINC000121518479 343266903 /nfs/dbraw/zinc/26/69/03/343266903.db2.gz UQVOGLPJYBAXSX-JTQLQIEISA-N 1 2 241.360 1.220 20 0 BDADLO CC(C)/C=C\c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037551 362150277 /nfs/dbraw/zinc/15/02/77/362150277.db2.gz AGMMHZKVLGLMQT-PLNGDYQASA-N 1 2 231.303 1.729 20 0 BDADLO Cn1c[nH+]c2c1CCN(C(=O)NC1CCC1)C2 ZINC000366591721 136286001 /nfs/dbraw/zinc/28/60/01/136286001.db2.gz LJFLNKJFWQPUFS-UHFFFAOYSA-N 1 2 234.303 1.040 20 0 BDADLO C/C=C/c1cn(CCCn2cc[nH+]c2)nn1 ZINC000641054767 362166238 /nfs/dbraw/zinc/16/62/38/362166238.db2.gz GTYYMQVGQHSWCX-DUXPYHPUSA-N 1 2 217.276 1.598 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1cccn1C ZINC000347861490 136293236 /nfs/dbraw/zinc/29/32/36/136293236.db2.gz ARVXWVMAFGVFCT-UHFFFAOYSA-N 1 2 232.331 1.699 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1cccn1C ZINC000347861490 136293237 /nfs/dbraw/zinc/29/32/37/136293237.db2.gz ARVXWVMAFGVFCT-UHFFFAOYSA-N 1 2 232.331 1.699 20 0 BDADLO CC(C)N(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CC1 ZINC000188379073 187255376 /nfs/dbraw/zinc/25/53/76/187255376.db2.gz NGWOAXKSDDYPLU-UHFFFAOYSA-N 1 2 248.330 1.068 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(F)C1 ZINC000584062134 343309242 /nfs/dbraw/zinc/30/92/42/343309242.db2.gz FJVBHQPHOKLELS-SKDRFNHKSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(F)C1 ZINC000584062134 343309244 /nfs/dbraw/zinc/30/92/44/343309244.db2.gz FJVBHQPHOKLELS-SKDRFNHKSA-N 1 2 239.294 1.549 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCOC1CCOCC1)C2 ZINC000625388202 343369612 /nfs/dbraw/zinc/36/96/12/343369612.db2.gz WIDBEBWIZGTOFW-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCOC1CCOCC1)C2 ZINC000625388202 343369615 /nfs/dbraw/zinc/36/96/15/343369615.db2.gz WIDBEBWIZGTOFW-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO Cc1cc(NC(=O)NCCC(F)(F)F)cc[nH+]1 ZINC000348835223 136301558 /nfs/dbraw/zinc/30/15/58/136301558.db2.gz SOMVCMUDKXLMAO-UHFFFAOYSA-N 1 2 247.220 1.886 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000335644317 136304066 /nfs/dbraw/zinc/30/40/66/136304066.db2.gz SQIRHAWHWRROLL-NSHDSACASA-N 1 2 227.283 1.279 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@@H](CF)C1 ZINC000335644317 136304067 /nfs/dbraw/zinc/30/40/67/136304067.db2.gz SQIRHAWHWRROLL-NSHDSACASA-N 1 2 227.283 1.279 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000037495095 343347253 /nfs/dbraw/zinc/34/72/53/343347253.db2.gz DLRVCIINTBDEJG-UHFFFAOYSA-N 1 2 241.262 1.439 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000037495095 343347254 /nfs/dbraw/zinc/34/72/54/343347254.db2.gz DLRVCIINTBDEJG-UHFFFAOYSA-N 1 2 241.262 1.439 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2C)CCC1(F)F ZINC000335673289 136317374 /nfs/dbraw/zinc/31/73/74/136317374.db2.gz FPKSLNRBZSFFQR-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CCC1(F)F ZINC000335673289 136317375 /nfs/dbraw/zinc/31/73/75/136317375.db2.gz FPKSLNRBZSFFQR-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000335668816 136312211 /nfs/dbraw/zinc/31/22/11/136312211.db2.gz DBRNSPJDWJRCLD-LLVKDONJSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000335668816 136312212 /nfs/dbraw/zinc/31/22/12/136312212.db2.gz DBRNSPJDWJRCLD-LLVKDONJSA-N 1 2 249.351 1.245 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000335669158 136312474 /nfs/dbraw/zinc/31/24/74/136312474.db2.gz CQGZTMDCXFYKBO-VXGBXAGGSA-N 1 2 235.331 1.656 20 0 BDADLO COCc1cc(C[N@@H+]2CCC2(C)C)no1 ZINC000569932353 323045154 /nfs/dbraw/zinc/04/51/54/323045154.db2.gz DAQXMQPMAKTGEU-UHFFFAOYSA-N 1 2 210.277 1.805 20 0 BDADLO COCc1cc(C[N@H+]2CCC2(C)C)no1 ZINC000569932353 323045155 /nfs/dbraw/zinc/04/51/55/323045155.db2.gz DAQXMQPMAKTGEU-UHFFFAOYSA-N 1 2 210.277 1.805 20 0 BDADLO COC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000367073925 136322954 /nfs/dbraw/zinc/32/29/54/136322954.db2.gz MTVRCIFPRCVAHO-UHFFFAOYSA-N 1 2 231.295 1.949 20 0 BDADLO COC(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000367073925 136322955 /nfs/dbraw/zinc/32/29/55/136322955.db2.gz MTVRCIFPRCVAHO-UHFFFAOYSA-N 1 2 231.295 1.949 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000335690249 136324607 /nfs/dbraw/zinc/32/46/07/136324607.db2.gz UUISCJWOLCDGOF-DTORHVGOSA-N 1 2 223.276 1.404 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000335690249 136324608 /nfs/dbraw/zinc/32/46/08/136324608.db2.gz UUISCJWOLCDGOF-DTORHVGOSA-N 1 2 223.276 1.404 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000678193301 488216152 /nfs/dbraw/zinc/21/61/52/488216152.db2.gz YFWGUEVLOGEWRC-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000678193301 488216156 /nfs/dbraw/zinc/21/61/56/488216156.db2.gz YFWGUEVLOGEWRC-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CCCCOCCNc1[nH+]cnc2c1cnn2C ZINC000040507598 343406332 /nfs/dbraw/zinc/40/63/32/343406332.db2.gz FAXYLEPEYBLPBO-UHFFFAOYSA-N 1 2 249.318 1.592 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000274824821 187337931 /nfs/dbraw/zinc/33/79/31/187337931.db2.gz FSKQAXORBMWNHM-NWDGAFQWSA-N 1 2 247.342 1.902 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CCC1 ZINC000041487760 343420716 /nfs/dbraw/zinc/42/07/16/343420716.db2.gz JCJHNLYFCAEQLD-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)nc1 ZINC000349424116 136346133 /nfs/dbraw/zinc/34/61/33/136346133.db2.gz YZORPSRARFWHHN-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)nc1 ZINC000349424116 136346134 /nfs/dbraw/zinc/34/61/34/136346134.db2.gz YZORPSRARFWHHN-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC[C@@H]2C)cc[nH+]1 ZINC000335732710 136349352 /nfs/dbraw/zinc/34/93/52/136349352.db2.gz QGWLKHOLCJNNSS-KWQFWETISA-N 1 2 219.288 1.732 20 0 BDADLO CC1=C(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000335738535 136351546 /nfs/dbraw/zinc/35/15/46/136351546.db2.gz LQECJIJTDXASAR-NSHDSACASA-N 1 2 245.326 1.815 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2ccon2)n1 ZINC000349247701 136333097 /nfs/dbraw/zinc/33/30/97/136333097.db2.gz UYVZDIWQAYRBRT-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000616429180 343432865 /nfs/dbraw/zinc/43/28/65/343432865.db2.gz YOJMQYBACCRYOA-IYKVGLELSA-N 1 2 245.326 1.438 20 0 BDADLO c1cn(Cc2cn(CC[C@H]3CCCO3)nn2)c[nH+]1 ZINC000641097706 362224131 /nfs/dbraw/zinc/22/41/31/362224131.db2.gz QAFUICZBDSPBQP-GFCCVEGCSA-N 1 2 247.302 1.092 20 0 BDADLO Cc1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)nn1C ZINC000351097305 136367312 /nfs/dbraw/zinc/36/73/12/136367312.db2.gz IWBYJHXVAQGJJQ-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)nn1C ZINC000351095461 136367435 /nfs/dbraw/zinc/36/74/35/136367435.db2.gz FCPSCSHZVVWWLU-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)nn1C ZINC000351095461 136367436 /nfs/dbraw/zinc/36/74/36/136367436.db2.gz FCPSCSHZVVWWLU-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC(C)(CO)CC2)no1 ZINC000351606816 136370160 /nfs/dbraw/zinc/37/01/60/136370160.db2.gz UVKLKAJVEKHHOC-VIFPVBQESA-N 1 2 239.319 1.533 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCc1cscn1 ZINC000082626286 343457164 /nfs/dbraw/zinc/45/71/64/343457164.db2.gz MJEHZCROMOFMIJ-UHFFFAOYSA-N 1 2 222.317 1.507 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616722125 343549403 /nfs/dbraw/zinc/54/94/03/343549403.db2.gz XLBHOPTXFWMLEB-GVXVVHGQSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616722125 343549405 /nfs/dbraw/zinc/54/94/05/343549405.db2.gz XLBHOPTXFWMLEB-GVXVVHGQSA-N 1 2 247.342 1.989 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723476 343550203 /nfs/dbraw/zinc/55/02/03/343550203.db2.gz HDGXGUHAHSPYST-QWRGUYRKSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000577013914 365767843 /nfs/dbraw/zinc/76/78/43/365767843.db2.gz TVYKIJUFDRFFBS-DTWKUNHWSA-N 1 2 221.304 1.602 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)C(=O)OC ZINC000379493972 343565056 /nfs/dbraw/zinc/56/50/56/343565056.db2.gz VQOCNFHZKRPKQA-CIUDSAMLSA-N 1 2 217.334 1.422 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(CF)CCC1 ZINC000580565831 365769198 /nfs/dbraw/zinc/76/91/98/365769198.db2.gz AIPRPAMGIICWQO-UHFFFAOYSA-N 1 2 225.267 1.139 20 0 BDADLO CCc1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000071014323 343585401 /nfs/dbraw/zinc/58/54/01/343585401.db2.gz PSJWVTZNNVKNMS-SNVBAGLBSA-N 1 2 207.277 1.630 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528406860 262944317 /nfs/dbraw/zinc/94/43/17/262944317.db2.gz SMFHZCDCOGCPIC-FWAPLPHYSA-N 1 2 230.739 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528406860 262944318 /nfs/dbraw/zinc/94/43/18/262944318.db2.gz SMFHZCDCOGCPIC-FWAPLPHYSA-N 1 2 230.739 1.682 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000620076349 343635592 /nfs/dbraw/zinc/63/55/92/343635592.db2.gz OQTPWOJTNWQFAZ-LBPRGKRZSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000620076349 343635594 /nfs/dbraw/zinc/63/55/94/343635594.db2.gz OQTPWOJTNWQFAZ-LBPRGKRZSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284329166 187343504 /nfs/dbraw/zinc/34/35/04/187343504.db2.gz IOFIWAQLOWKVBC-HMDXOVGESA-N 1 2 249.314 1.497 20 0 BDADLO Cc1ccc(O)c(CNc2c[nH]c[nH+]2)n1 ZINC000309069899 349826641 /nfs/dbraw/zinc/82/66/41/349826641.db2.gz AYFLGBCWPPPRHG-UHFFFAOYSA-N 1 2 204.233 1.431 20 0 BDADLO CCc1cc(N[C@H](COC)C2CC2)nc[nH+]1 ZINC000390474243 537795230 /nfs/dbraw/zinc/79/52/30/537795230.db2.gz KBEIPKYXJPZCSF-LLVKDONJSA-N 1 2 221.304 1.876 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)nc(N)[nH+]1 ZINC000631301352 343664014 /nfs/dbraw/zinc/66/40/14/343664014.db2.gz QCIXWEORLFMQAS-VGMNWLOBSA-N 1 2 219.292 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000631301352 343664017 /nfs/dbraw/zinc/66/40/17/343664017.db2.gz QCIXWEORLFMQAS-VGMNWLOBSA-N 1 2 219.292 1.193 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccccc1Cl ZINC000083970338 343692019 /nfs/dbraw/zinc/69/20/19/343692019.db2.gz WGZXPGOZLYYWSI-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CCCO1 ZINC000287623396 187345939 /nfs/dbraw/zinc/34/59/39/187345939.db2.gz UHMMSUCFIRIJGX-LLVKDONJSA-N 1 2 249.314 1.999 20 0 BDADLO C/C=C/C[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631395732 343695321 /nfs/dbraw/zinc/69/53/21/343695321.db2.gz RLEXZAXQSKEDLM-UFFNRZRYSA-N 1 2 247.346 1.775 20 0 BDADLO C/C=C/C[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631395732 343695323 /nfs/dbraw/zinc/69/53/23/343695323.db2.gz RLEXZAXQSKEDLM-UFFNRZRYSA-N 1 2 247.346 1.775 20 0 BDADLO CC(C)N(CC(F)F)C(=O)CCc1[nH]cc[nH+]1 ZINC000288389682 187345577 /nfs/dbraw/zinc/34/55/77/187345577.db2.gz YPKCPHWAZZCZRW-UHFFFAOYSA-N 1 2 245.273 1.844 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CCCO1 ZINC000287623398 187345667 /nfs/dbraw/zinc/34/56/67/187345667.db2.gz UHMMSUCFIRIJGX-NSHDSACASA-N 1 2 249.314 1.999 20 0 BDADLO Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)nc1 ZINC000625436931 343734466 /nfs/dbraw/zinc/73/44/66/343734466.db2.gz NZPHDUQAKILDHM-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC000619340641 343743279 /nfs/dbraw/zinc/74/32/79/343743279.db2.gz QVBPNOCCLFCTJB-IJLUTSLNSA-N 1 2 233.315 1.703 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1nncn1C)C1CC1 ZINC000625430414 343731945 /nfs/dbraw/zinc/73/19/45/343731945.db2.gz OTRLLDODOVTTLL-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1nncn1C)C1CC1 ZINC000625430414 343731948 /nfs/dbraw/zinc/73/19/48/343731948.db2.gz OTRLLDODOVTTLL-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO O=c1[nH]nc(C[NH2+]C2(C3CCC3)CCC2)[nH]1 ZINC000584217612 343773173 /nfs/dbraw/zinc/77/31/73/343773173.db2.gz FZHNWPLEMSVKMO-UHFFFAOYSA-N 1 2 222.292 1.323 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](O)C(F)(F)C1 ZINC000624393450 343750834 /nfs/dbraw/zinc/75/08/34/343750834.db2.gz ZONYCALGIQABCL-VIFPVBQESA-N 1 2 244.241 1.297 20 0 BDADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)n(C)n1 ZINC000176187721 343759092 /nfs/dbraw/zinc/75/90/92/343759092.db2.gz ZZDUIKFKVDSEMZ-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291352134 187348478 /nfs/dbraw/zinc/34/84/78/187348478.db2.gz TVIGMCPIHFUVBQ-SNVBAGLBSA-N 1 2 234.303 1.207 20 0 BDADLO C[C@H](CC(=O)NC(C)(C)CCO)n1cc[nH+]c1 ZINC000584117703 343761551 /nfs/dbraw/zinc/76/15/51/343761551.db2.gz RMOPBPVRUHNOKR-SNVBAGLBSA-N 1 2 239.319 1.111 20 0 BDADLO COc1ccc[nH+]c1NCCOCCF ZINC000624411024 343763799 /nfs/dbraw/zinc/76/37/99/343763799.db2.gz QEQVYVKDDQOVGW-UHFFFAOYSA-N 1 2 214.240 1.488 20 0 BDADLO CC1(C(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000128229657 343764532 /nfs/dbraw/zinc/76/45/32/343764532.db2.gz XKWUPAVSFJTQRP-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](O)C2)cs1 ZINC000047915925 343782084 /nfs/dbraw/zinc/78/20/84/343782084.db2.gz DNSABIYNYHMPDK-SNVBAGLBSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](O)C2)cs1 ZINC000047915925 343782085 /nfs/dbraw/zinc/78/20/85/343782085.db2.gz DNSABIYNYHMPDK-SNVBAGLBSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@@H](O)C[C@@H]2C)c(C)[nH+]1 ZINC000335874996 344037593 /nfs/dbraw/zinc/03/75/93/344037593.db2.gz WKIAKNDNHCYSDT-ONGXEEELSA-N 1 2 249.314 1.685 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627369933 346978141 /nfs/dbraw/zinc/97/81/41/346978141.db2.gz IEWRMYIJGCLQME-UWVGGRQHSA-N 1 2 233.315 1.731 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627369933 346978144 /nfs/dbraw/zinc/97/81/44/346978144.db2.gz IEWRMYIJGCLQME-UWVGGRQHSA-N 1 2 233.315 1.731 20 0 BDADLO COc1nn(C)cc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000336673574 537823077 /nfs/dbraw/zinc/82/30/77/537823077.db2.gz HVWDTVYAHXIUGV-ZETCQYMHSA-N 1 2 221.264 1.325 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000625484109 343881694 /nfs/dbraw/zinc/88/16/94/343881694.db2.gz VTYQKHQYTGMAKC-SECBINFHSA-N 1 2 241.291 1.022 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000625484109 343881696 /nfs/dbraw/zinc/88/16/96/343881696.db2.gz VTYQKHQYTGMAKC-SECBINFHSA-N 1 2 241.291 1.022 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cn[nH]c1 ZINC000336706195 537830334 /nfs/dbraw/zinc/83/03/34/537830334.db2.gz RLOPWJBSQJOMHW-SFYZADRCSA-N 1 2 205.265 1.545 20 0 BDADLO CCCC[C@@H](COC)[NH2+][C@@H](C)C(=O)OC ZINC000309244735 347003235 /nfs/dbraw/zinc/00/32/35/347003235.db2.gz YYUNFIJGWYTRSF-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO CCn1ccnc1C[N@H+](CC)C[C@H]1CCCO1 ZINC000106385160 347010288 /nfs/dbraw/zinc/01/02/88/347010288.db2.gz PYLDSGVDPJSZJN-GFCCVEGCSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+](CC)C[C@H]1CCCO1 ZINC000106385160 347010290 /nfs/dbraw/zinc/01/02/90/347010290.db2.gz PYLDSGVDPJSZJN-GFCCVEGCSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370968 347010501 /nfs/dbraw/zinc/01/05/01/347010501.db2.gz RNWQWGHVYBDHBI-YGRLFVJLSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370968 347010504 /nfs/dbraw/zinc/01/05/04/347010504.db2.gz RNWQWGHVYBDHBI-YGRLFVJLSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)[C@@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641188056 362265424 /nfs/dbraw/zinc/26/54/24/362265424.db2.gz CWAZPGQFHVFIOO-KOLCDFICSA-N 1 2 224.308 1.156 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000341754669 187355374 /nfs/dbraw/zinc/35/53/74/187355374.db2.gz BGFDFCORRUPFEQ-RYUDHWBXSA-N 1 2 242.363 1.210 20 0 BDADLO CN(C[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493128750 529949839 /nfs/dbraw/zinc/94/98/39/529949839.db2.gz KZESADIAIFTWSP-WYGGZMRJSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(C)o1 ZINC000628119840 343967917 /nfs/dbraw/zinc/96/79/17/343967917.db2.gz MLKKIFMZZIBXRP-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(C)o1 ZINC000628119840 343967918 /nfs/dbraw/zinc/96/79/18/343967918.db2.gz MLKKIFMZZIBXRP-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(C)o1 ZINC000628119839 343968108 /nfs/dbraw/zinc/96/81/08/343968108.db2.gz MLKKIFMZZIBXRP-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnc(C)o1 ZINC000628119839 343968110 /nfs/dbraw/zinc/96/81/10/343968110.db2.gz MLKKIFMZZIBXRP-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cn2nc(N(C)Cc3[nH]cc[nH+]3)sc2n1 ZINC000605398351 343968868 /nfs/dbraw/zinc/96/88/68/343968868.db2.gz RBVRDDMOHGVYQO-UHFFFAOYSA-N 1 2 248.315 1.459 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]1C)CC2 ZINC000641248563 362322961 /nfs/dbraw/zinc/32/29/61/362322961.db2.gz XUWWHUMWXGCNMV-MNOVXSKESA-N 1 2 233.315 1.375 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2CCCC(F)(F)CC2)C1=O ZINC000625770817 344066497 /nfs/dbraw/zinc/06/64/97/344066497.db2.gz UGFHEQYPGJGDIG-SECBINFHSA-N 1 2 248.273 1.270 20 0 BDADLO CCN1OC[C@@H]([N@H+]2CCCC(F)(F)CC2)C1=O ZINC000625770817 344066500 /nfs/dbraw/zinc/06/65/00/344066500.db2.gz UGFHEQYPGJGDIG-SECBINFHSA-N 1 2 248.273 1.270 20 0 BDADLO CC[N@@H+]1CCC[C@@H](N[C@H](C)c2cn[nH]c2)C1 ZINC000304222002 344070433 /nfs/dbraw/zinc/07/04/33/344070433.db2.gz HWRLLPGSXXNZHA-ZYHUDNBSSA-N 1 2 222.336 1.545 20 0 BDADLO CC[N@H+]1CCC[C@@H](N[C@H](C)c2cn[nH]c2)C1 ZINC000304222002 344070436 /nfs/dbraw/zinc/07/04/36/344070436.db2.gz HWRLLPGSXXNZHA-ZYHUDNBSSA-N 1 2 222.336 1.545 20 0 BDADLO CCOCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000570688833 323067309 /nfs/dbraw/zinc/06/73/09/323067309.db2.gz CIJLZHNVOARYIS-UHFFFAOYSA-N 1 2 225.292 1.106 20 0 BDADLO Cc1nc(NC[C@](C)(O)c2ccco2)cc[nH+]1 ZINC000078376445 344096177 /nfs/dbraw/zinc/09/61/77/344096177.db2.gz TWAWOKYXUDMTCI-LBPRGKRZSA-N 1 2 233.271 1.698 20 0 BDADLO Cc1coc(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000096643092 187289120 /nfs/dbraw/zinc/28/91/20/187289120.db2.gz MAPCBAZXIKOCLD-UHFFFAOYSA-N 1 2 222.288 1.284 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC1CC1 ZINC000081006445 344136751 /nfs/dbraw/zinc/13/67/51/344136751.db2.gz MGNGOTGAUJAQFT-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CCC(O)(CC)CNc1cc(CO)cc[nH+]1 ZINC000641317979 362360911 /nfs/dbraw/zinc/36/09/11/362360911.db2.gz DNHTWWXYENWGRN-UHFFFAOYSA-N 1 2 224.304 1.537 20 0 BDADLO Cc1[nH]c(CN2CCC(CO)CC2)[nH+]c1C ZINC000628129769 344157884 /nfs/dbraw/zinc/15/78/84/344157884.db2.gz TYJFPVZXSJYNLD-UHFFFAOYSA-N 1 2 223.320 1.231 20 0 BDADLO COC(=O)c1ccc(C[NH2+]CC(F)F)cc1F ZINC000234648200 344159373 /nfs/dbraw/zinc/15/93/73/344159373.db2.gz MKRQOBSKECUYEE-UHFFFAOYSA-N 1 2 247.216 1.967 20 0 BDADLO CC[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641332935 362366362 /nfs/dbraw/zinc/36/63/62/362366362.db2.gz VRQOKPMAHBCOTM-NSHDSACASA-N 1 2 210.277 1.147 20 0 BDADLO Cn1ccnc1Sc1[nH+]cnc2[nH]ccc21 ZINC000588891072 344197512 /nfs/dbraw/zinc/19/75/12/344197512.db2.gz JOTXGGKARWAMSO-UHFFFAOYSA-N 1 2 231.284 1.843 20 0 BDADLO CN(C)c1ccc(CSCCCO)c[nH+]1 ZINC000600558529 344272578 /nfs/dbraw/zinc/27/25/78/344272578.db2.gz WYSILRGSCKTPOT-UHFFFAOYSA-N 1 2 226.345 1.763 20 0 BDADLO Cc1ccc(CCNc2cc(CO)cc[nH+]2)cn1 ZINC000641367756 362378740 /nfs/dbraw/zinc/37/87/40/362378740.db2.gz OAXPTHPPBMZWDC-UHFFFAOYSA-N 1 2 243.310 1.354 20 0 BDADLO Cc1cccc(CCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088759073 344242021 /nfs/dbraw/zinc/24/20/21/344242021.db2.gz CXVIXIZYVFVCNE-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1cccc(CCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088759073 344242023 /nfs/dbraw/zinc/24/20/23/344242023.db2.gz CXVIXIZYVFVCNE-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)OC ZINC000300019371 344365113 /nfs/dbraw/zinc/36/51/13/344365113.db2.gz JDDFETJBGKFTPS-GARJFASQSA-N 1 2 243.347 1.467 20 0 BDADLO COC(=O)CCNc1nc[nH+]c2c1CCCC2 ZINC000094871914 344331539 /nfs/dbraw/zinc/33/15/39/344331539.db2.gz OZOGRYDXOKGKME-UHFFFAOYSA-N 1 2 235.287 1.330 20 0 BDADLO Cc1ncccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620598932 344334188 /nfs/dbraw/zinc/33/41/88/344334188.db2.gz AGOKLVQSWAKAEC-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C(=O)OC ZINC000600616015 344336986 /nfs/dbraw/zinc/33/69/86/344336986.db2.gz XPIWIKMNLRQUIS-OUAUKWLOSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1cnn(C)c1 ZINC000641393818 362390854 /nfs/dbraw/zinc/39/08/54/362390854.db2.gz PNRFDWTYQSJGRG-VIFPVBQESA-N 1 2 232.287 1.481 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000641392191 362390933 /nfs/dbraw/zinc/39/09/33/362390933.db2.gz JIDXAUFSYFJMFX-ZYHUDNBSSA-N 1 2 236.315 1.537 20 0 BDADLO OCc1cc[nH+]c(NCCCC2CC2)c1 ZINC000641385980 362386852 /nfs/dbraw/zinc/38/68/52/362386852.db2.gz URRIFPDJYSOKEF-UHFFFAOYSA-N 1 2 206.289 1.598 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)c1cnn(C)c1 ZINC000641392666 362390583 /nfs/dbraw/zinc/39/05/83/362390583.db2.gz KUZFKJFBFIZVQW-QMMMGPOBSA-N 1 2 220.251 1.549 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc[nH+]cc1F ZINC000603309794 349910971 /nfs/dbraw/zinc/91/09/71/349910971.db2.gz RVXCCUPORUCHKZ-QMMMGPOBSA-N 1 2 226.251 1.254 20 0 BDADLO C[C@H](CNC(=O)c1occc1N)Cn1cc[nH+]c1 ZINC000573614083 344400373 /nfs/dbraw/zinc/40/03/73/344400373.db2.gz SUYIKXREFUXFBC-SECBINFHSA-N 1 2 248.286 1.124 20 0 BDADLO COC[C@@H](OC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000622866645 344435201 /nfs/dbraw/zinc/43/52/01/344435201.db2.gz MZVGPLYNOVRFGN-SNVBAGLBSA-N 1 2 238.287 1.298 20 0 BDADLO CC1(C)[C@H](Nc2cc[nH+]cc2F)[C@@H]2CCO[C@@H]21 ZINC000641393417 362390757 /nfs/dbraw/zinc/39/07/57/362390757.db2.gz VBJIYQHASHURDE-AXTRIDKLSA-N 1 2 236.290 1.868 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1csc(C)n1 ZINC000041010891 344411690 /nfs/dbraw/zinc/41/16/90/344411690.db2.gz KMQUAPWRBCPWPX-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1O)c1ccn(C)n1 ZINC000584299626 344437762 /nfs/dbraw/zinc/43/77/62/344437762.db2.gz PSARIIYFLYQBAG-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO CCC1(O)CCN(c2cc[nH+]cc2F)CC1 ZINC000641401916 362396096 /nfs/dbraw/zinc/39/60/96/362396096.db2.gz MHDISHYFGMRZSM-UHFFFAOYSA-N 1 2 224.279 1.962 20 0 BDADLO CC(C)CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042532444 344447553 /nfs/dbraw/zinc/44/75/53/344447553.db2.gz UYABUXRHKVRRKE-NSHDSACASA-N 1 2 223.320 1.824 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nccs1 ZINC000104134482 344454039 /nfs/dbraw/zinc/45/40/39/344454039.db2.gz HNWVOYCRTPBSPN-VIFPVBQESA-N 1 2 239.344 1.956 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nccs1 ZINC000104134482 344454041 /nfs/dbraw/zinc/45/40/41/344454041.db2.gz HNWVOYCRTPBSPN-VIFPVBQESA-N 1 2 239.344 1.956 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000622338062 344506564 /nfs/dbraw/zinc/50/65/64/344506564.db2.gz WCXINUWPCPIJEF-NSHDSACASA-N 1 2 245.326 1.916 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)[C@@H]1CCOC1 ZINC000641399196 362393329 /nfs/dbraw/zinc/39/33/29/362393329.db2.gz ZHRIXOPCTAGBNB-GXSJLCMTSA-N 1 2 222.288 1.411 20 0 BDADLO CC(C)n1ccc(C[NH2+]Cc2cn[nH]c2)n1 ZINC000381150747 344480119 /nfs/dbraw/zinc/48/01/19/344480119.db2.gz AQSYKZCIPHHSBM-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO CC(C)N1CC[C@@H](Nc2cc[nH+]cc2F)C1=O ZINC000641400360 362395334 /nfs/dbraw/zinc/39/53/34/362395334.db2.gz TZWDXVCLBPTYJP-LLVKDONJSA-N 1 2 237.278 1.064 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCSC1 ZINC000570860455 323072814 /nfs/dbraw/zinc/07/28/14/323072814.db2.gz GYMXAZUZBFUSIM-RKDXNWHRSA-N 1 2 239.344 1.210 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)OC ZINC000043628916 344528972 /nfs/dbraw/zinc/52/89/72/344528972.db2.gz CRRAGIIJXFIQQC-SNVBAGLBSA-N 1 2 222.288 1.465 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)OC ZINC000043628916 344528975 /nfs/dbraw/zinc/52/89/75/344528975.db2.gz CRRAGIIJXFIQQC-SNVBAGLBSA-N 1 2 222.288 1.465 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCSC1 ZINC000570860455 323072815 /nfs/dbraw/zinc/07/28/15/323072815.db2.gz GYMXAZUZBFUSIM-RKDXNWHRSA-N 1 2 239.344 1.210 20 0 BDADLO O=C1CN(c2cc[nH+]cc2F)CCN1C1CC1 ZINC000641416257 362405810 /nfs/dbraw/zinc/40/58/10/362405810.db2.gz DCMOMKQCZAPTKX-UHFFFAOYSA-N 1 2 235.262 1.032 20 0 BDADLO CC[N@H+](CCO)Cc1nc(C2CCCC2)no1 ZINC000152407739 344543479 /nfs/dbraw/zinc/54/34/79/344543479.db2.gz OKOAIGKAEUFTJO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(C2CCCC2)no1 ZINC000152407739 344543480 /nfs/dbraw/zinc/54/34/80/344543480.db2.gz OKOAIGKAEUFTJO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO COC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641401989 362396785 /nfs/dbraw/zinc/39/67/85/362396785.db2.gz NIVHZFRTGPIGSA-UHFFFAOYSA-N 1 2 210.277 1.411 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000368093913 344549154 /nfs/dbraw/zinc/54/91/54/344549154.db2.gz NCDJNNKWBOPEPG-GMXVVIOVSA-N 1 2 246.310 1.566 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)C1CCOCC1 ZINC000641439444 362419747 /nfs/dbraw/zinc/41/97/47/362419747.db2.gz CJWYDYMZXLCBRT-JTQLQIEISA-N 1 2 236.315 1.801 20 0 BDADLO CC(=O)N1CCN(c2cc[nH+]cc2F)[C@H](C)C1 ZINC000641439663 362420126 /nfs/dbraw/zinc/42/01/26/362420126.db2.gz KPKKKZVVJNQNOP-SECBINFHSA-N 1 2 237.278 1.278 20 0 BDADLO CCCCN(CC(N)=O)c1cc[nH+]cc1F ZINC000641450587 362424933 /nfs/dbraw/zinc/42/49/33/362424933.db2.gz UZZJRWZTFZTUTB-UHFFFAOYSA-N 1 2 225.267 1.313 20 0 BDADLO CC(C)(C)C[C@H](CO)Nc1cc[nH+]cc1F ZINC000641450964 362425946 /nfs/dbraw/zinc/42/59/46/362425946.db2.gz NTAXRGXGTOWPJF-SECBINFHSA-N 1 2 226.295 1.852 20 0 BDADLO C[C@@H](O)[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641452993 362428235 /nfs/dbraw/zinc/42/82/35/362428235.db2.gz NUEHYDYAWQKHCQ-PWSUYJOCSA-N 1 2 236.315 1.171 20 0 BDADLO C[C@H](CO)CSCc1cn(C)c[nH+]1 ZINC000603318986 349913645 /nfs/dbraw/zinc/91/36/45/349913645.db2.gz JZXCQGIFJLQKIV-MRVPVSSYSA-N 1 2 200.307 1.282 20 0 BDADLO CC(C)OC(=O)CSCc1ccc[nH+]c1N ZINC000603318415 349913701 /nfs/dbraw/zinc/91/37/01/349913701.db2.gz IHJRLSSEFGBAHL-UHFFFAOYSA-N 1 2 240.328 1.849 20 0 BDADLO Cc1ccc(SCc2cn(C)c[nH+]2)nn1 ZINC000641459176 362432161 /nfs/dbraw/zinc/43/21/61/362432161.db2.gz UTHNMNPCPWRLOK-UHFFFAOYSA-N 1 2 220.301 1.811 20 0 BDADLO Cc1cncnc1NCCc1cc[nH+]cc1C ZINC000641463009 362434356 /nfs/dbraw/zinc/43/43/56/362434356.db2.gz YTQPOQAHGCNPLC-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)c1cc(CO)cc[nH+]1 ZINC000641461132 362435746 /nfs/dbraw/zinc/43/57/46/362435746.db2.gz GUYDXDDJZFQEIK-NWDGAFQWSA-N 1 2 236.315 1.171 20 0 BDADLO CO[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)C1(C)C ZINC000641427493 362411693 /nfs/dbraw/zinc/41/16/93/362411693.db2.gz ZKUITBCTZXUMCA-GHMZBOCLSA-N 1 2 224.279 1.868 20 0 BDADLO C[C@H](C[C@@H]1CCOC1)Nc1cc(CO)cc[nH+]1 ZINC000641436154 362417817 /nfs/dbraw/zinc/41/78/17/362417817.db2.gz PWDSENRDLRHCQQ-PWSUYJOCSA-N 1 2 236.315 1.801 20 0 BDADLO CN(CCc1cnccn1)c1cc(CO)cc[nH+]1 ZINC000641476335 362448362 /nfs/dbraw/zinc/44/83/62/362448362.db2.gz AYCFCVVGJQVSNI-UHFFFAOYSA-N 1 2 244.298 1.043 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641476124 362449090 /nfs/dbraw/zinc/44/90/90/362449090.db2.gz XOABDDSCZDIVEZ-KOLCDFICSA-N 1 2 222.288 1.553 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)[C@@H]1OC ZINC000641490392 362458451 /nfs/dbraw/zinc/45/84/51/362458451.db2.gz XTCLGWXAPRYRSL-UTUOFQBUSA-N 1 2 240.278 1.247 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)CC[C@H]1O ZINC000641502011 362464420 /nfs/dbraw/zinc/46/44/20/362464420.db2.gz ACNADMWWVFYWMO-LDYMZIIASA-N 1 2 210.252 1.428 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1cc[nH+]cc1F ZINC000641504574 362468016 /nfs/dbraw/zinc/46/80/16/362468016.db2.gz ZAKQNYFKYIMOOO-UWVGGRQHSA-N 1 2 210.252 1.214 20 0 BDADLO OCc1cc[nH+]c(NC2CC(F)(F)C2)c1 ZINC000641535897 362486708 /nfs/dbraw/zinc/48/67/08/362486708.db2.gz ICRKJNBJFSEDOZ-UHFFFAOYSA-N 1 2 214.215 1.784 20 0 BDADLO CCOC(=O)C[N@H+](CCOC(C)C)C1CC1 ZINC000049573418 344653934 /nfs/dbraw/zinc/65/39/34/344653934.db2.gz UGUUCKRLDFXPCI-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC(C)C)C1CC1 ZINC000049573418 344653936 /nfs/dbraw/zinc/65/39/36/344653936.db2.gz UGUUCKRLDFXPCI-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](CCF)C2)o1 ZINC000626006009 344664482 /nfs/dbraw/zinc/66/44/82/344664482.db2.gz OZPOBRAAGRTCNT-LLVKDONJSA-N 1 2 242.294 1.852 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](CCF)C2)o1 ZINC000626006009 344664484 /nfs/dbraw/zinc/66/44/84/344664484.db2.gz OZPOBRAAGRTCNT-LLVKDONJSA-N 1 2 242.294 1.852 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626006705 344664842 /nfs/dbraw/zinc/66/48/42/344664842.db2.gz GSZAEGIZWBTBGE-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cnccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626006705 344664845 /nfs/dbraw/zinc/66/48/45/344664845.db2.gz GSZAEGIZWBTBGE-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005073 344666986 /nfs/dbraw/zinc/66/69/86/344666986.db2.gz UVDNZHQEISNFEF-MNOVXSKESA-N 1 2 239.294 1.598 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005073 344666989 /nfs/dbraw/zinc/66/69/89/344666989.db2.gz UVDNZHQEISNFEF-MNOVXSKESA-N 1 2 239.294 1.598 20 0 BDADLO COc1cccc2c1C[N@H+](CCn1cncn1)C2 ZINC000626021872 344677772 /nfs/dbraw/zinc/67/77/72/344677772.db2.gz TUSIIEPGIXJJTI-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cccc2c1C[N@@H+](CCn1cncn1)C2 ZINC000626021872 344677775 /nfs/dbraw/zinc/67/77/75/344677775.db2.gz TUSIIEPGIXJJTI-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OCC(F)(F)F ZINC000497029968 530016273 /nfs/dbraw/zinc/01/62/73/530016273.db2.gz UDAHVKOKUMOPBT-UHFFFAOYSA-N 1 2 237.181 1.540 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OCC(F)(F)F ZINC000497029968 530016274 /nfs/dbraw/zinc/01/62/74/530016274.db2.gz UDAHVKOKUMOPBT-UHFFFAOYSA-N 1 2 237.181 1.540 20 0 BDADLO CN(Cc1cscn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900955 530019875 /nfs/dbraw/zinc/01/98/75/530019875.db2.gz OFGVFGIMZWSHJP-NSCUHMNNSA-N 1 2 248.311 1.538 20 0 BDADLO C[C@@H]1C[C@@H](c2nc(Cc3c[nH+]cn3C)no2)CO1 ZINC000350196614 344706035 /nfs/dbraw/zinc/70/60/35/344706035.db2.gz KTBQYTMOZSEESL-RKDXNWHRSA-N 1 2 248.286 1.286 20 0 BDADLO COc1nc(C(=O)Nc2ccc(C)[nH+]c2C)co1 ZINC000626060712 344707210 /nfs/dbraw/zinc/70/72/10/344707210.db2.gz GUECRIQHVBHJQP-UHFFFAOYSA-N 1 2 247.254 1.947 20 0 BDADLO CCc1cnc(C[N@@H+](CC(N)=O)CC(C)C)o1 ZINC000075624267 344781080 /nfs/dbraw/zinc/78/10/80/344781080.db2.gz DPKLSDFNSZMLDO-UHFFFAOYSA-N 1 2 239.319 1.180 20 0 BDADLO CCc1cnc(C[N@H+](CC(N)=O)CC(C)C)o1 ZINC000075624267 344781083 /nfs/dbraw/zinc/78/10/83/344781083.db2.gz DPKLSDFNSZMLDO-UHFFFAOYSA-N 1 2 239.319 1.180 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccn(C)c1 ZINC000493319238 530025907 /nfs/dbraw/zinc/02/59/07/530025907.db2.gz JVELKOOBOJAJDE-ONEGZZNKSA-N 1 2 244.298 1.420 20 0 BDADLO C[C@@H](CC[S@](C)=O)Nc1cc[nH+]cc1F ZINC000603303705 349916726 /nfs/dbraw/zinc/91/67/26/349916726.db2.gz QVRAFVWZVKPDAE-AYVTZFPOSA-N 1 2 230.308 1.212 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)ccn1 ZINC000627371574 347070680 /nfs/dbraw/zinc/07/06/80/347070680.db2.gz KCPODJRHDFZVHU-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000627371574 347070682 /nfs/dbraw/zinc/07/06/82/347070682.db2.gz KCPODJRHDFZVHU-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO C[N@H+](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000075637799 344782511 /nfs/dbraw/zinc/78/25/11/344782511.db2.gz NXJAXMAABRSDHL-UHFFFAOYSA-N 1 2 235.209 1.769 20 0 BDADLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000075637799 344782512 /nfs/dbraw/zinc/78/25/12/344782512.db2.gz NXJAXMAABRSDHL-UHFFFAOYSA-N 1 2 235.209 1.769 20 0 BDADLO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000075665235 344783501 /nfs/dbraw/zinc/78/35/01/344783501.db2.gz AHJXNKVIJDDGCF-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000075665235 344783504 /nfs/dbraw/zinc/78/35/04/344783504.db2.gz AHJXNKVIJDDGCF-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCCCCOC ZINC000181837113 347074510 /nfs/dbraw/zinc/07/45/10/347074510.db2.gz ZIMKVQGBRHNCQI-UHFFFAOYSA-N 1 2 249.318 1.685 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]c(C)c(C)[nH+]2)no1 ZINC000628140452 344805533 /nfs/dbraw/zinc/80/55/33/344805533.db2.gz KUVNEVRRDAZTEI-UHFFFAOYSA-N 1 2 234.303 1.955 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)OC[C@@H]2C)[nH+]1 ZINC000628140304 344805715 /nfs/dbraw/zinc/80/57/15/344805715.db2.gz GLEZWZXVGSJHGC-UWVGGRQHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]c(CN2CCc3ccc(O)cc3C2)[nH+]1 ZINC000628145233 344820194 /nfs/dbraw/zinc/82/01/94/344820194.db2.gz HMRXFRQRPDNSEH-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1[nH]c(CN2CCCOCC2)[nH+]c1C ZINC000628146726 344826007 /nfs/dbraw/zinc/82/60/07/344826007.db2.gz YEWNKFNMHHRSOC-UHFFFAOYSA-N 1 2 209.293 1.249 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOCC2)[nH]c1C ZINC000628146726 344826008 /nfs/dbraw/zinc/82/60/08/344826008.db2.gz YEWNKFNMHHRSOC-UHFFFAOYSA-N 1 2 209.293 1.249 20 0 BDADLO Cc1nc(C[N@H+]2CCCOCC2)[nH]c1C ZINC000628146726 344826010 /nfs/dbraw/zinc/82/60/10/344826010.db2.gz YEWNKFNMHHRSOC-UHFFFAOYSA-N 1 2 209.293 1.249 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2ccoc2)[nH+]1 ZINC000628152802 344841671 /nfs/dbraw/zinc/84/16/71/344841671.db2.gz OXZNJJCGNQUDPW-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628148583 344833880 /nfs/dbraw/zinc/83/38/80/344833880.db2.gz TWZKAGNATJKIQQ-LLVKDONJSA-N 1 2 249.314 1.262 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628148583 344833885 /nfs/dbraw/zinc/83/38/85/344833885.db2.gz TWZKAGNATJKIQQ-LLVKDONJSA-N 1 2 249.314 1.262 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628155369 344847279 /nfs/dbraw/zinc/84/72/79/344847279.db2.gz XLVMSWKDGHDJOJ-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628155369 344847281 /nfs/dbraw/zinc/84/72/81/344847281.db2.gz XLVMSWKDGHDJOJ-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cnccn2)[nH+]c1C ZINC000628156573 344849583 /nfs/dbraw/zinc/84/95/83/344849583.db2.gz UFOMMQWVYBACLW-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1ccc(CN(C)C(=O)CCn2cc[nH+]c2)o1 ZINC000078345869 344850310 /nfs/dbraw/zinc/85/03/10/344850310.db2.gz ISXJLMQKDVMUJS-UHFFFAOYSA-N 1 2 247.298 1.833 20 0 BDADLO CCCn1nccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000153333081 344852750 /nfs/dbraw/zinc/85/27/50/344852750.db2.gz ZBYGLIHDIGPDKH-UHFFFAOYSA-N 1 2 248.290 1.338 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOC[C@H](C)C2)o1 ZINC000407949771 534973741 /nfs/dbraw/zinc/97/37/41/534973741.db2.gz NWONUBURGZEDDW-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOC[C@H](C)C2)o1 ZINC000407949771 534973756 /nfs/dbraw/zinc/97/37/56/534973756.db2.gz NWONUBURGZEDDW-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO Cc1[nH]c(CN(C)[C@H]2CCOC2)[nH+]c1C ZINC000628163430 344866191 /nfs/dbraw/zinc/86/61/91/344866191.db2.gz BQBDFBQRZMZMIR-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCOC2)[nH]c1C ZINC000628163430 344866195 /nfs/dbraw/zinc/86/61/95/344866195.db2.gz BQBDFBQRZMZMIR-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCOC2)[nH]c1C ZINC000628163430 344866198 /nfs/dbraw/zinc/86/61/98/344866198.db2.gz BQBDFBQRZMZMIR-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO Cc1nc(C)c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)o1 ZINC000566364300 344870278 /nfs/dbraw/zinc/87/02/78/344870278.db2.gz LRKCBWXKRNEKNM-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO CC(=O)N1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298428 187294027 /nfs/dbraw/zinc/29/40/27/187294027.db2.gz SPOJJYPOGIOQLV-LBPRGKRZSA-N 1 2 247.298 1.339 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000153556228 344903073 /nfs/dbraw/zinc/90/30/73/344903073.db2.gz WQCBMRZGZUEFLF-GFCCVEGCSA-N 1 2 237.303 1.244 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000153556228 344903076 /nfs/dbraw/zinc/90/30/76/344903076.db2.gz WQCBMRZGZUEFLF-GFCCVEGCSA-N 1 2 237.303 1.244 20 0 BDADLO Cc1[nH]c(CN2C[C@H]3CC[C@@H](C2)O3)[nH+]c1C ZINC000628177286 344905349 /nfs/dbraw/zinc/90/53/49/344905349.db2.gz SHFVZIMYLUBHCX-PHIMTYICSA-N 1 2 221.304 1.390 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@H]2C2CC2)[nH+]c1C ZINC000628183705 344932343 /nfs/dbraw/zinc/93/23/43/344932343.db2.gz KPZGHHFGCNMEPW-LBPRGKRZSA-N 1 2 235.331 1.637 20 0 BDADLO COC(=O)CSCCc1cccc(C)[nH+]1 ZINC000583440018 344966917 /nfs/dbraw/zinc/96/69/17/344966917.db2.gz GBADLIARGJPHOT-UHFFFAOYSA-N 1 2 225.313 1.839 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000079543265 344987295 /nfs/dbraw/zinc/98/72/95/344987295.db2.gz VAMIYSDDOQSNDH-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C(F)(F)F ZINC000079577384 344992082 /nfs/dbraw/zinc/99/20/82/344992082.db2.gz QGKVJZLJLQEBML-HTQZYQBOSA-N 1 2 249.236 1.586 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ccnn2C)CCO1 ZINC000135599002 187299048 /nfs/dbraw/zinc/29/90/48/187299048.db2.gz VLBHHCLBTWAITL-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ccnn2C)CCO1 ZINC000135599002 187299049 /nfs/dbraw/zinc/29/90/49/187299049.db2.gz VLBHHCLBTWAITL-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CCc1nnc(SCc2ccc[nH+]c2N)o1 ZINC000641559689 362504375 /nfs/dbraw/zinc/50/43/75/362504375.db2.gz ATGUBDCCLWPGND-UHFFFAOYSA-N 1 2 236.300 1.902 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(F)(F)F ZINC000525723543 323082661 /nfs/dbraw/zinc/08/26/61/323082661.db2.gz QHTYPHLDKYQBJH-ZETCQYMHSA-N 1 2 247.220 1.465 20 0 BDADLO CC(C)(NC(=O)[C@H]1C[C@@H]1C1CC1)c1[nH]cc[nH+]1 ZINC000577071075 365803750 /nfs/dbraw/zinc/80/37/50/365803750.db2.gz JNJFVIIOGJVRLP-ZJUUUORDSA-N 1 2 233.315 1.807 20 0 BDADLO OC[C@@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641615837 362548374 /nfs/dbraw/zinc/54/83/74/362548374.db2.gz HSDXRAWPPFBXMC-BDAKNGLRSA-N 1 2 210.252 1.216 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000079993960 345073355 /nfs/dbraw/zinc/07/33/55/345073355.db2.gz IXXDCHOWDCJKMT-WDEREUQCSA-N 1 2 235.331 1.815 20 0 BDADLO CO[C@@H]1CCN(c2cc(CO)cc[nH+]2)C[C@H]1C ZINC000641618569 362551565 /nfs/dbraw/zinc/55/15/65/362551565.db2.gz HVIJUPJILITOAJ-ZYHUDNBSSA-N 1 2 236.315 1.435 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H](n3cccn3)C2)c1 ZINC000641622920 362554122 /nfs/dbraw/zinc/55/41/22/362554122.db2.gz NZXXFKOQEKZAHW-GFCCVEGCSA-N 1 2 244.298 1.222 20 0 BDADLO CC(C)(C(=O)Nc1ccc[nH]c1=O)c1c[nH]c[nH+]1 ZINC000618278802 345083800 /nfs/dbraw/zinc/08/38/00/345083800.db2.gz HVKAECHYWVBDST-UHFFFAOYSA-N 1 2 246.270 1.427 20 0 BDADLO Cc1cc(C[N@H+](C)CCN2CCCC2=O)no1 ZINC000079961878 345065943 /nfs/dbraw/zinc/06/59/43/345065943.db2.gz FKUJZNUYDPGDAN-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1cc(C[N@@H+](C)CCN2CCCC2=O)no1 ZINC000079961878 345065944 /nfs/dbraw/zinc/06/59/44/345065944.db2.gz FKUJZNUYDPGDAN-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000080208997 345120256 /nfs/dbraw/zinc/12/02/56/345120256.db2.gz HJLUNRIDOFALOI-RXMQYKEDSA-N 1 2 221.182 1.224 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CC2(CCC2)O1 ZINC000641648430 362574749 /nfs/dbraw/zinc/57/47/49/362574749.db2.gz JUKCFVKAYGQLEI-LLVKDONJSA-N 1 2 248.326 1.722 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155749369 345101279 /nfs/dbraw/zinc/10/12/79/345101279.db2.gz LVXAVDQBSDFDIO-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO OCc1cc[nH+]c(NC[C@H](O)C2CCC2)c1 ZINC000641623470 362555250 /nfs/dbraw/zinc/55/52/50/362555250.db2.gz LKPCKMXIZRIRRE-NSHDSACASA-N 1 2 222.288 1.147 20 0 BDADLO CC(C)(O)C(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641624628 362556306 /nfs/dbraw/zinc/55/63/06/362556306.db2.gz ONPKFMSIMFSDHY-UHFFFAOYSA-N 1 2 238.331 1.783 20 0 BDADLO FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1ccon1 ZINC000634988737 345171835 /nfs/dbraw/zinc/17/18/35/345171835.db2.gz GLCJVPJJICDQHN-RNFRBKRXSA-N 1 2 206.167 1.715 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000306258179 345139387 /nfs/dbraw/zinc/13/93/87/345139387.db2.gz RMCVOBLKFUHPRS-PHDIDXHHSA-N 1 2 212.684 1.923 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000306258179 345139391 /nfs/dbraw/zinc/13/93/91/345139391.db2.gz RMCVOBLKFUHPRS-PHDIDXHHSA-N 1 2 212.684 1.923 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156275663 345143361 /nfs/dbraw/zinc/14/33/61/345143361.db2.gz FDDHKDGXJJBZBA-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156275663 345143363 /nfs/dbraw/zinc/14/33/63/345143363.db2.gz FDDHKDGXJJBZBA-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccco2)[nH+]1 ZINC000635053927 345229117 /nfs/dbraw/zinc/22/91/17/345229117.db2.gz JXXYYYAXPQLXHV-UHFFFAOYSA-N 1 2 233.271 1.424 20 0 BDADLO CCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635070822 345239456 /nfs/dbraw/zinc/23/94/56/345239456.db2.gz WZIJOLQTMNKCGY-ZDUSSCGKSA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635070822 345239460 /nfs/dbraw/zinc/23/94/60/345239460.db2.gz WZIJOLQTMNKCGY-ZDUSSCGKSA-N 1 2 248.326 1.406 20 0 BDADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC1CC1 ZINC000635089290 345244270 /nfs/dbraw/zinc/24/42/70/345244270.db2.gz YFVNULAUXUMGMV-MRVPVSSYSA-N 1 2 247.220 1.655 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@]1(C)C(C)C ZINC000397255899 323084843 /nfs/dbraw/zinc/08/48/43/323084843.db2.gz DDUDHBVMNJOTES-QPUJVOFHSA-N 1 2 236.319 1.914 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@]1(C)C(C)C ZINC000397255899 323084844 /nfs/dbraw/zinc/08/48/44/323084844.db2.gz DDUDHBVMNJOTES-QPUJVOFHSA-N 1 2 236.319 1.914 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccoc2)[nH+]1 ZINC000635427526 345364161 /nfs/dbraw/zinc/36/41/61/345364161.db2.gz XXXCBGVSXUEEOR-UHFFFAOYSA-N 1 2 233.271 1.424 20 0 BDADLO CC1(C)C[N@H+](CCC(F)(F)F)C[C@H](CO)O1 ZINC000158725485 345370522 /nfs/dbraw/zinc/37/05/22/345370522.db2.gz HCWVGPUUYAOBDA-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[N@@H+](CCC(F)(F)F)C[C@H](CO)O1 ZINC000158725485 345370524 /nfs/dbraw/zinc/37/05/24/345370524.db2.gz HCWVGPUUYAOBDA-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](C[S@@](C)=O)Nc1cc(C2CC2)[nH+]cn1 ZINC000603335831 349927494 /nfs/dbraw/zinc/92/74/94/349927494.db2.gz YPIROEFRPYHAMR-ZKANADHPSA-N 1 2 239.344 1.533 20 0 BDADLO COCc1nc(C)cc(NCc2[nH+]ccn2C)n1 ZINC000080678556 345422423 /nfs/dbraw/zinc/42/24/23/345422423.db2.gz DBRWCYCSXHMSNL-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO Cc1nc(N2CC[C@@H](C)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000425279834 192088166 /nfs/dbraw/zinc/08/81/66/192088166.db2.gz VZOCJNHFXIFTMZ-NXEZZACHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C)C[C@H]2C)[nH+]1 ZINC000425279834 192088167 /nfs/dbraw/zinc/08/81/67/192088167.db2.gz VZOCJNHFXIFTMZ-NXEZZACHSA-N 1 2 249.362 1.871 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](C)O)C2 ZINC000058011783 192088247 /nfs/dbraw/zinc/08/82/47/192088247.db2.gz PLJWMTDENOJEKD-SECBINFHSA-N 1 2 219.284 1.586 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](C)O)C2 ZINC000058011783 192088249 /nfs/dbraw/zinc/08/82/49/192088249.db2.gz PLJWMTDENOJEKD-SECBINFHSA-N 1 2 219.284 1.586 20 0 BDADLO COCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635483289 345391809 /nfs/dbraw/zinc/39/18/09/345391809.db2.gz NRNGOMNWEAXSIO-RKDXNWHRSA-N 1 2 237.303 1.054 20 0 BDADLO COCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635483289 345391811 /nfs/dbraw/zinc/39/18/11/345391811.db2.gz NRNGOMNWEAXSIO-RKDXNWHRSA-N 1 2 237.303 1.054 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635506153 345402106 /nfs/dbraw/zinc/40/21/06/345402106.db2.gz NIDYIPMURUPVRB-ZDCRXTMVSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635506153 345402108 /nfs/dbraw/zinc/40/21/08/345402108.db2.gz NIDYIPMURUPVRB-ZDCRXTMVSA-N 1 2 233.315 1.818 20 0 BDADLO CC(C)[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081797746 345492695 /nfs/dbraw/zinc/49/26/95/345492695.db2.gz SIYGGSVEOFDHHH-RYUDHWBXSA-N 1 2 237.347 1.928 20 0 BDADLO Cc1cc(NC(=O)c2csnn2)cc[nH+]1 ZINC000082269566 345500003 /nfs/dbraw/zinc/50/00/03/345500003.db2.gz FIRSUJNRDMVZLW-UHFFFAOYSA-N 1 2 220.257 1.494 20 0 BDADLO O[C@H]1CCN(c2cc[nH+]cc2F)CC1(F)F ZINC000641659613 362585801 /nfs/dbraw/zinc/58/58/01/362585801.db2.gz RQSVOKDDSCFXKB-VIFPVBQESA-N 1 2 232.205 1.427 20 0 BDADLO OCc1cc[nH+]c(NCCCc2ccco2)c1 ZINC000641668492 362590252 /nfs/dbraw/zinc/59/02/52/362590252.db2.gz AQEHKOLYJGEKDA-UHFFFAOYSA-N 1 2 232.283 1.634 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC(C)(C)C2)o1 ZINC000083418481 345506978 /nfs/dbraw/zinc/50/69/78/345506978.db2.gz MTGMAULLIBUZIU-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC(C)(C)C2)o1 ZINC000083418481 345506979 /nfs/dbraw/zinc/50/69/79/345506979.db2.gz MTGMAULLIBUZIU-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO CO[C@@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000080979578 345457474 /nfs/dbraw/zinc/45/74/74/345457474.db2.gz LWPZITPUNAVQBI-SNVBAGLBSA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCOC2)[nH+]1 ZINC000080986115 345458498 /nfs/dbraw/zinc/45/84/98/345458498.db2.gz DYNSPCCNYBBBSF-VIFPVBQESA-N 1 2 232.287 1.857 20 0 BDADLO Cl/C=C/C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083691126 345511828 /nfs/dbraw/zinc/51/18/28/345511828.db2.gz FOSPTEGBCNQFNP-DAFODLJHSA-N 1 2 226.711 1.737 20 0 BDADLO C[C@H]1CCCCCN1C(=O)Cn1cc[nH+]c1 ZINC000081409565 345472124 /nfs/dbraw/zinc/47/21/24/345472124.db2.gz MOUPMXWGHJMKQS-NSHDSACASA-N 1 2 221.304 1.674 20 0 BDADLO CC(C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000081453091 345475005 /nfs/dbraw/zinc/47/50/05/345475005.db2.gz RYESZLBMTSWWJZ-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000626121556 345517383 /nfs/dbraw/zinc/51/73/83/345517383.db2.gz MLALXQKSWRNJRQ-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1csnn1 ZINC000626121556 345517385 /nfs/dbraw/zinc/51/73/85/345517385.db2.gz MLALXQKSWRNJRQ-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO COCCOC1CCN(c2cccc[nH+]2)CC1 ZINC000091483494 345594832 /nfs/dbraw/zinc/59/48/32/345594832.db2.gz RMEDJVPZSUHJHX-UHFFFAOYSA-N 1 2 236.315 1.713 20 0 BDADLO CC[N@H+](CCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000091539862 345597275 /nfs/dbraw/zinc/59/72/75/345597275.db2.gz MFQCLFOEWFWABD-UHFFFAOYSA-N 1 2 246.314 1.163 20 0 BDADLO CC[N@@H+](CCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000091539862 345597277 /nfs/dbraw/zinc/59/72/77/345597277.db2.gz MFQCLFOEWFWABD-UHFFFAOYSA-N 1 2 246.314 1.163 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@H](C)S1=O ZINC000603358418 349932423 /nfs/dbraw/zinc/93/24/23/349932423.db2.gz MWXOWMVDZDWPBR-IUCAKERBSA-N 1 2 242.319 1.566 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091558604 345598465 /nfs/dbraw/zinc/59/84/65/345598465.db2.gz GZAHJEILNGMUQD-VIFPVBQESA-N 1 2 244.298 1.630 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091558604 345598468 /nfs/dbraw/zinc/59/84/68/345598468.db2.gz GZAHJEILNGMUQD-VIFPVBQESA-N 1 2 244.298 1.630 20 0 BDADLO COC(=O)N1CC[NH+](Cc2occc2C)CC1 ZINC000092217336 345608607 /nfs/dbraw/zinc/60/86/07/345608607.db2.gz QOLWVJDLCBIWTC-UHFFFAOYSA-N 1 2 238.287 1.472 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000092738536 345637468 /nfs/dbraw/zinc/63/74/68/345637468.db2.gz FVIKBBKFWPKYSE-SFYZADRCSA-N 1 2 222.244 1.151 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000249964176 537901276 /nfs/dbraw/zinc/90/12/76/537901276.db2.gz JXDQCNUQIYIGKI-BKDNQFJXSA-N 1 2 223.320 1.528 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cncs2)C1 ZINC000093887372 345666803 /nfs/dbraw/zinc/66/68/03/345666803.db2.gz ZQZKWFLVEJPJHH-JTQLQIEISA-N 1 2 244.291 1.230 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cncs2)C1 ZINC000093887372 345666804 /nfs/dbraw/zinc/66/68/04/345666804.db2.gz ZQZKWFLVEJPJHH-JTQLQIEISA-N 1 2 244.291 1.230 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000092977683 345650463 /nfs/dbraw/zinc/65/04/63/345650463.db2.gz AUGADOYQROMGBK-JOYOIKCWSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1nc(N2Cc3cnn(C)c3C2)cc[nH+]1 ZINC000641677155 362598787 /nfs/dbraw/zinc/59/87/87/362598787.db2.gz XYTDARHLKWTOAN-UHFFFAOYSA-N 1 2 215.260 1.039 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000093323594 345651708 /nfs/dbraw/zinc/65/17/08/345651708.db2.gz SLBIKGPENFRPER-SNVBAGLBSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000093323594 345651711 /nfs/dbraw/zinc/65/17/11/345651711.db2.gz SLBIKGPENFRPER-SNVBAGLBSA-N 1 2 227.304 1.217 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1CCCn2nccc21 ZINC000641684332 362603049 /nfs/dbraw/zinc/60/30/49/362603049.db2.gz GLMINPYJBKWBSF-LLVKDONJSA-N 1 2 232.262 1.786 20 0 BDADLO Cc1nc(NCC2CSC2)c2c([nH+]1)CCCC2 ZINC000641682839 362604512 /nfs/dbraw/zinc/60/45/12/362604512.db2.gz SJDWZVGVDKWGCB-UHFFFAOYSA-N 1 2 249.383 1.861 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635553264 345656202 /nfs/dbraw/zinc/65/62/02/345656202.db2.gz YYQXMFWEOYQHTB-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635553264 345656205 /nfs/dbraw/zinc/65/62/05/345656205.db2.gz YYQXMFWEOYQHTB-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000641690776 362605458 /nfs/dbraw/zinc/60/54/58/362605458.db2.gz SCBBOIFWUCVBBT-JOYOIKCWSA-N 1 2 222.263 1.622 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000093444771 345670972 /nfs/dbraw/zinc/67/09/72/345670972.db2.gz XCGBNSWQAPSBOG-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000093444771 345670974 /nfs/dbraw/zinc/67/09/74/345670974.db2.gz XCGBNSWQAPSBOG-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO c1c[nH+]c(COCc2cnc(C3CC3)o2)[nH]1 ZINC000641720737 362638063 /nfs/dbraw/zinc/63/80/63/362638063.db2.gz PPXNQXPJHDIUSQ-UHFFFAOYSA-N 1 2 219.244 1.992 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000221020927 345746910 /nfs/dbraw/zinc/74/69/10/345746910.db2.gz SDNNQXXPPXIRIA-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000221020927 345746911 /nfs/dbraw/zinc/74/69/11/345746911.db2.gz SDNNQXXPPXIRIA-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]1C1CC1 ZINC000622636460 345699016 /nfs/dbraw/zinc/69/90/16/345699016.db2.gz AYWXGKHMHQLCTQ-NSHDSACASA-N 1 2 219.288 1.284 20 0 BDADLO COCC[N@H+](Cc1nc(C)c(C)o1)C1CC1 ZINC000139897929 345699108 /nfs/dbraw/zinc/69/91/08/345699108.db2.gz YFKFPHQVGHFMSP-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO COCC[N@@H+](Cc1nc(C)c(C)o1)C1CC1 ZINC000139897929 345699110 /nfs/dbraw/zinc/69/91/10/345699110.db2.gz YFKFPHQVGHFMSP-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO C[C@H](CC(C)(C)O)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622642133 345714090 /nfs/dbraw/zinc/71/40/90/345714090.db2.gz SONBVRRPMNXYSO-SECBINFHSA-N 1 2 239.319 1.008 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N1CCSCC1 ZINC000565236870 345841668 /nfs/dbraw/zinc/84/16/68/345841668.db2.gz XEXKPPGFSTUAQQ-UHFFFAOYSA-N 1 2 240.332 1.010 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N1CCSCC1 ZINC000565236870 345841669 /nfs/dbraw/zinc/84/16/69/345841669.db2.gz XEXKPPGFSTUAQQ-UHFFFAOYSA-N 1 2 240.332 1.010 20 0 BDADLO CCN(c1cc[nH+]c(C)n1)[C@@H]1CCOC1 ZINC000359967419 345842891 /nfs/dbraw/zinc/84/28/91/345842891.db2.gz HHGRFRZOAWWTDN-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO C[C@@H](NC(=O)CCc1ccccn1)c1[nH]cc[nH+]1 ZINC000140964976 345825831 /nfs/dbraw/zinc/82/58/31/345825831.db2.gz XLQDWRQDCZARPI-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO COc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183895833 187309829 /nfs/dbraw/zinc/30/98/29/187309829.db2.gz DSYLRBOIAFHICN-UHFFFAOYSA-N 1 2 231.242 1.412 20 0 BDADLO Fc1ccc2c(c1)OCC[N@@H+](Cc1cn[nH]c1)C2 ZINC000626153298 345836308 /nfs/dbraw/zinc/83/63/08/345836308.db2.gz DBBNPLCDSSMIKI-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Fc1ccc2c(c1)OCC[N@H+](Cc1cn[nH]c1)C2 ZINC000626153298 345836311 /nfs/dbraw/zinc/83/63/11/345836311.db2.gz DBBNPLCDSSMIKI-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Cc1cn2ccc(C(=O)NCC[C@@H](C)O)cc2[nH+]1 ZINC000635580421 345878207 /nfs/dbraw/zinc/87/82/07/345878207.db2.gz CRSSAXDGLYNKDZ-SNVBAGLBSA-N 1 2 247.298 1.143 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC1CC1 ZINC000080620924 345898564 /nfs/dbraw/zinc/89/85/64/345898564.db2.gz RMPFIRWJLBVILV-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO Cc1n[nH]cc1CN(C)c1cc[nH+]c(C)n1 ZINC000631322810 345921629 /nfs/dbraw/zinc/92/16/29/345921629.db2.gz NZOJURCAEUULAG-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO COC(=O)C1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC000074774670 345922062 /nfs/dbraw/zinc/92/20/62/345922062.db2.gz DMUMWWLFYKCTCN-UHFFFAOYSA-N 1 2 249.314 1.930 20 0 BDADLO CCOc1cccc(NCc2c[nH+]cn2C)n1 ZINC000151000069 537926108 /nfs/dbraw/zinc/92/61/08/537926108.db2.gz QGVYREBIVVRFHM-UHFFFAOYSA-N 1 2 232.287 1.826 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)CC(C)(C)O ZINC000092971497 187361410 /nfs/dbraw/zinc/36/14/10/187361410.db2.gz AFQXDRUGTMDXLM-UHFFFAOYSA-N 1 2 240.351 1.137 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)CC(C)(C)O ZINC000092971497 187361412 /nfs/dbraw/zinc/36/14/12/187361412.db2.gz AFQXDRUGTMDXLM-UHFFFAOYSA-N 1 2 240.351 1.137 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C/C=C\c1ccccc1 ZINC000310560085 187312740 /nfs/dbraw/zinc/31/27/40/187312740.db2.gz KGEGJHAFKNTPMX-DBVFPWQWSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1C/C=C\c1ccccc1 ZINC000310560085 187312742 /nfs/dbraw/zinc/31/27/42/187312742.db2.gz KGEGJHAFKNTPMX-DBVFPWQWSA-N 1 2 247.338 1.781 20 0 BDADLO CC[C@@H](O)CSc1nc(N)cc(C)[nH+]1 ZINC000148614362 346038081 /nfs/dbraw/zinc/03/80/81/346038081.db2.gz HIALHZXSOQTEPR-SSDOTTSWSA-N 1 2 213.306 1.230 20 0 BDADLO CC[C@H](NC(=O)c1[nH]cnc1C)c1[nH]cc[nH+]1 ZINC000635807078 346072589 /nfs/dbraw/zinc/07/25/89/346072589.db2.gz LGDROPJZFUBZNS-QMMMGPOBSA-N 1 2 233.275 1.322 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1ncccn1 ZINC000192035235 346079987 /nfs/dbraw/zinc/07/99/87/346079987.db2.gz LFFCCZNNUYIALT-VIFPVBQESA-N 1 2 209.318 1.414 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1ncccn1 ZINC000192035235 346079989 /nfs/dbraw/zinc/07/99/89/346079989.db2.gz LFFCCZNNUYIALT-VIFPVBQESA-N 1 2 209.318 1.414 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635874765 346095266 /nfs/dbraw/zinc/09/52/66/346095266.db2.gz IRGPPCGMAFJNGR-AXTSPUMRSA-N 1 2 219.288 1.523 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635874765 346095267 /nfs/dbraw/zinc/09/52/67/346095267.db2.gz IRGPPCGMAFJNGR-AXTSPUMRSA-N 1 2 219.288 1.523 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635890357 346100500 /nfs/dbraw/zinc/10/05/00/346100500.db2.gz WDHLWGQEHSUWJZ-ZYUZMQFOSA-N 1 2 219.288 1.428 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635890357 346100501 /nfs/dbraw/zinc/10/05/01/346100501.db2.gz WDHLWGQEHSUWJZ-ZYUZMQFOSA-N 1 2 219.288 1.428 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC=CCC1 ZINC000635779549 346063741 /nfs/dbraw/zinc/06/37/41/346063741.db2.gz LSAWKDMYVAZRAF-NXEZZACHSA-N 1 2 217.272 1.302 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC=CCC1 ZINC000635779549 346063743 /nfs/dbraw/zinc/06/37/43/346063743.db2.gz LSAWKDMYVAZRAF-NXEZZACHSA-N 1 2 217.272 1.302 20 0 BDADLO CC(C)C[C@H](C(=O)N1CC(F)C1)n1cc[nH+]c1 ZINC000635793141 346064222 /nfs/dbraw/zinc/06/42/22/346064222.db2.gz RXBXVNRIRPQIEF-LLVKDONJSA-N 1 2 239.294 1.651 20 0 BDADLO CC(C)C[C@H](C(=O)N[C@@H](C)CF)n1cc[nH+]c1 ZINC000635932520 346113569 /nfs/dbraw/zinc/11/35/69/346113569.db2.gz BGNUFMWSHNBBFM-WDEREUQCSA-N 1 2 241.310 1.945 20 0 BDADLO Cn1nnc(C[NH2+]Cc2cccc3ccoc32)n1 ZINC000574897851 346122572 /nfs/dbraw/zinc/12/25/72/346122572.db2.gz YOPRAMVBYVFPOE-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO CC1(C)CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000279137352 346123616 /nfs/dbraw/zinc/12/36/16/346123616.db2.gz XJTQNHIIHWXQAA-NSHDSACASA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2=O)[NH+](C)C ZINC000616798606 346124430 /nfs/dbraw/zinc/12/44/30/346124430.db2.gz FQVRAPLVHWOHEG-VIFPVBQESA-N 1 2 246.310 1.704 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCCCF)[nH+]1 ZINC000635963852 346135065 /nfs/dbraw/zinc/13/50/65/346135065.db2.gz OLFRZEGMXYQVIB-UHFFFAOYSA-N 1 2 227.283 1.381 20 0 BDADLO C[N@H+](CCn1ccccc1=O)Cc1cscn1 ZINC000586830031 346154908 /nfs/dbraw/zinc/15/49/08/346154908.db2.gz IEGZSBFWECQWJZ-UHFFFAOYSA-N 1 2 249.339 1.437 20 0 BDADLO C[N@@H+](CCn1ccccc1=O)Cc1cscn1 ZINC000586830031 346154909 /nfs/dbraw/zinc/15/49/09/346154909.db2.gz IEGZSBFWECQWJZ-UHFFFAOYSA-N 1 2 249.339 1.437 20 0 BDADLO CCc1cc(NC[C@](C)(O)[C@H](C)CC)nc[nH+]1 ZINC000603393996 349945866 /nfs/dbraw/zinc/94/58/66/349945866.db2.gz LTOWLRKONSVQGV-MFKMUULPSA-N 1 2 237.347 1.670 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)[nH+]1 ZINC000628255531 346249353 /nfs/dbraw/zinc/24/93/53/346249353.db2.gz PYFAKWITRYJXGZ-ZYHUDNBSSA-N 1 2 235.331 1.717 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC000631156029 346259688 /nfs/dbraw/zinc/25/96/88/346259688.db2.gz WCFCDMFFOVASDQ-MFKMUULPSA-N 1 2 249.314 1.327 20 0 BDADLO COCc1cc(C[NH2+]Cc2cncc(C)c2)no1 ZINC000641745674 362666858 /nfs/dbraw/zinc/66/68/58/362666858.db2.gz ZDBXKFOSYRKWCH-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOCC23CC3)o1 ZINC000628264875 346266447 /nfs/dbraw/zinc/26/64/47/346266447.db2.gz GOOOMJCWJBFUHD-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1ncc(C[N@H+]2CCOCC23CC3)o1 ZINC000628264875 346266448 /nfs/dbraw/zinc/26/64/48/346266448.db2.gz GOOOMJCWJBFUHD-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C(F)F)CCC1 ZINC000631156204 346270308 /nfs/dbraw/zinc/27/03/08/346270308.db2.gz WZYUBXQXHGHYKO-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C)n1 ZINC000336064228 179019717 /nfs/dbraw/zinc/01/97/17/179019717.db2.gz IYICLZFLXQWLJV-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO C/C=C/C[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000626163286 346274766 /nfs/dbraw/zinc/27/47/66/346274766.db2.gz HYKMFHLZGDHXHR-UFFNRZRYSA-N 1 2 235.335 1.388 20 0 BDADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000626163286 346274769 /nfs/dbraw/zinc/27/47/69/346274769.db2.gz HYKMFHLZGDHXHR-UFFNRZRYSA-N 1 2 235.335 1.388 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000626163284 346275027 /nfs/dbraw/zinc/27/50/27/346275027.db2.gz HYKMFHLZGDHXHR-DLRQAJBASA-N 1 2 235.335 1.388 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000626163284 346275029 /nfs/dbraw/zinc/27/50/29/346275029.db2.gz HYKMFHLZGDHXHR-DLRQAJBASA-N 1 2 235.335 1.388 20 0 BDADLO Cc1nc(NC2CC3(CCC3)C2)nc(N)[nH+]1 ZINC000631332773 346281214 /nfs/dbraw/zinc/28/12/14/346281214.db2.gz NTZIDPAPWLADFM-UHFFFAOYSA-N 1 2 219.292 1.337 20 0 BDADLO Cc1nc(N)nc(NC2CC3(CCC3)C2)[nH+]1 ZINC000631332773 346281217 /nfs/dbraw/zinc/28/12/17/346281217.db2.gz NTZIDPAPWLADFM-UHFFFAOYSA-N 1 2 219.292 1.337 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CC3(CCC3)C2)[nH+]1 ZINC000636126401 346329637 /nfs/dbraw/zinc/32/96/37/346329637.db2.gz CDTWQLKTTUMVKA-UHFFFAOYSA-N 1 2 247.342 1.964 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccncc2N)c2nccn21 ZINC000641758770 362689719 /nfs/dbraw/zinc/68/97/19/362689719.db2.gz UXFWCDHQASXNFH-SKDRFNHKSA-N 1 2 243.314 1.656 20 0 BDADLO CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCOC1=O ZINC000154213179 346319681 /nfs/dbraw/zinc/31/96/81/346319681.db2.gz UTXPYTLKDWFERM-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCOC1=O ZINC000154213179 346319684 /nfs/dbraw/zinc/31/96/84/346319684.db2.gz UTXPYTLKDWFERM-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000636203102 346353540 /nfs/dbraw/zinc/35/35/40/346353540.db2.gz YLLJYAKPNDOZFN-GMTAPVOTSA-N 1 2 233.315 1.818 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000636203102 346353542 /nfs/dbraw/zinc/35/35/42/346353542.db2.gz YLLJYAKPNDOZFN-GMTAPVOTSA-N 1 2 233.315 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2CC=CC2)[nH+]1 ZINC000636254461 346370474 /nfs/dbraw/zinc/37/04/74/346370474.db2.gz YGLWJBGXCDSOMO-UHFFFAOYSA-N 1 2 233.315 1.597 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000352421379 187367818 /nfs/dbraw/zinc/36/78/18/187367818.db2.gz LBSVTJXEURTDAM-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000352421379 187367820 /nfs/dbraw/zinc/36/78/20/187367820.db2.gz LBSVTJXEURTDAM-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC000636252031 346369430 /nfs/dbraw/zinc/36/94/30/346369430.db2.gz QJCWLSZGEWEIJF-XQQFMLRXSA-N 1 2 247.342 1.949 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(F)cn1 ZINC000336479002 187368479 /nfs/dbraw/zinc/36/84/79/187368479.db2.gz NMIYMURUTURYLF-KOLCDFICSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(F)cn1 ZINC000336479002 187368481 /nfs/dbraw/zinc/36/84/81/187368481.db2.gz NMIYMURUTURYLF-KOLCDFICSA-N 1 2 228.242 1.125 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CO)C2)c1F ZINC000294884898 179078272 /nfs/dbraw/zinc/07/82/72/179078272.db2.gz QYXNVEXGAYRNBP-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CO)C2)c1F ZINC000294884898 179078274 /nfs/dbraw/zinc/07/82/74/179078274.db2.gz QYXNVEXGAYRNBP-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO CCc1nc(C[N@H+](C)CCc2ccccn2)no1 ZINC000162401676 346521916 /nfs/dbraw/zinc/52/19/16/346521916.db2.gz KHJLHDQNSZJSFG-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CCc1nc(C[N@@H+](C)CCc2ccccn2)no1 ZINC000162401676 346521919 /nfs/dbraw/zinc/52/19/19/346521919.db2.gz KHJLHDQNSZJSFG-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000580044643 346492384 /nfs/dbraw/zinc/49/23/84/346492384.db2.gz DRTIVDDOCTWJNR-ZJUUUORDSA-N 1 2 237.303 1.604 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161787862 346499570 /nfs/dbraw/zinc/49/95/70/346499570.db2.gz ASGHLJZTLYWOBE-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(O)C2)ccc1F ZINC000623015328 346542411 /nfs/dbraw/zinc/54/24/11/346542411.db2.gz YVKDTRMWMSEBOW-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO CCC(CC)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636451262 346578627 /nfs/dbraw/zinc/57/86/27/346578627.db2.gz LHNCJCOJKVLFAF-SNVBAGLBSA-N 1 2 236.319 1.296 20 0 BDADLO COCC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178246705 346663455 /nfs/dbraw/zinc/66/34/55/346663455.db2.gz SZROJMPCCAMLNO-SECBINFHSA-N 1 2 240.269 1.201 20 0 BDADLO CCc1cnc(CNCc2[nH+]ccn2C)s1 ZINC000164908570 346632879 /nfs/dbraw/zinc/63/28/79/346632879.db2.gz ZWMIWSQBTYCFOP-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1csc(C)n1 ZINC000120150493 346634816 /nfs/dbraw/zinc/63/48/16/346634816.db2.gz DPXYFSRWQLLGCB-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1csc(C)n1 ZINC000120150493 346634820 /nfs/dbraw/zinc/63/48/20/346634820.db2.gz DPXYFSRWQLLGCB-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)no1 ZINC000580657075 365852134 /nfs/dbraw/zinc/85/21/34/365852134.db2.gz IRFYQGMWLFVGDI-XVYDVKMFSA-N 1 2 225.292 1.188 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CC2CC2)C1 ZINC000623042019 347108467 /nfs/dbraw/zinc/10/84/67/347108467.db2.gz IJLLHQNJNFZKBD-JTQLQIEISA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CC2CC2)C1 ZINC000623042019 347108472 /nfs/dbraw/zinc/10/84/72/347108472.db2.gz IJLLHQNJNFZKBD-JTQLQIEISA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cccc(OCC[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000296115781 179166953 /nfs/dbraw/zinc/16/69/53/179166953.db2.gz HJOLFUFQKIWPFK-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cccc(OCC[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000296115781 179166955 /nfs/dbraw/zinc/16/69/55/179166955.db2.gz HJOLFUFQKIWPFK-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000641827412 362775578 /nfs/dbraw/zinc/77/55/78/362775578.db2.gz BJIHBDJBGHEAAX-OPRDCNLKSA-N 1 2 234.303 1.693 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC1(OC)CCC1 ZINC000582052662 347140104 /nfs/dbraw/zinc/14/01/04/347140104.db2.gz XZGPWZSNTMXHFR-UHFFFAOYSA-N 1 2 247.302 1.437 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@H](C)OC)no1 ZINC000309985348 347212534 /nfs/dbraw/zinc/21/25/34/347212534.db2.gz YCDSSGNGSHUBIR-QMMMGPOBSA-N 1 2 227.308 1.492 20 0 BDADLO CO[C@H](CC(C)C)C[NH+]1CCS(=O)CC1 ZINC000419210511 192104853 /nfs/dbraw/zinc/10/48/53/192104853.db2.gz VENSQMUBMQCNFK-LLVKDONJSA-N 1 2 233.377 1.112 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(C)n1 ZINC000186930808 347243356 /nfs/dbraw/zinc/24/33/56/347243356.db2.gz GNLTWFRKXGTZBS-NSHDSACASA-N 1 2 233.315 1.019 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)c(C)n1 ZINC000186930808 347243359 /nfs/dbraw/zinc/24/33/59/347243359.db2.gz GNLTWFRKXGTZBS-NSHDSACASA-N 1 2 233.315 1.019 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628298162 347277190 /nfs/dbraw/zinc/27/71/90/347277190.db2.gz WRIOYJCJPBMNNP-VIFPVBQESA-N 1 2 222.288 1.773 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628298162 347277192 /nfs/dbraw/zinc/27/71/92/347277192.db2.gz WRIOYJCJPBMNNP-VIFPVBQESA-N 1 2 222.288 1.773 20 0 BDADLO CCN1CCC[N@H+](Cc2ccncc2)CC1=O ZINC000190197284 347322954 /nfs/dbraw/zinc/32/29/54/347322954.db2.gz PDOLOXUFGHLWHD-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccncc2)CC1=O ZINC000190197284 347322956 /nfs/dbraw/zinc/32/29/56/347322956.db2.gz PDOLOXUFGHLWHD-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO Cc1cccc2c1C[N@@H+]([C@@H]1CCOC1=O)CC2 ZINC000277089686 179217137 /nfs/dbraw/zinc/21/71/37/179217137.db2.gz FUZQRBNDEKVWJM-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1cccc2c1C[N@H+]([C@@H]1CCOC1=O)CC2 ZINC000277089686 179217140 /nfs/dbraw/zinc/21/71/40/179217140.db2.gz FUZQRBNDEKVWJM-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@@H]2CCCO2)no1 ZINC000191059062 347341210 /nfs/dbraw/zinc/34/12/10/347341210.db2.gz XJXFHLMYWQSGGJ-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@@H]2CCCO2)no1 ZINC000191059062 347341211 /nfs/dbraw/zinc/34/12/11/347341211.db2.gz XJXFHLMYWQSGGJ-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CCOCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191463515 347352302 /nfs/dbraw/zinc/35/23/02/347352302.db2.gz GDUCGTFXAVAKFJ-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO CCOCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191463515 347352305 /nfs/dbraw/zinc/35/23/05/347352305.db2.gz GDUCGTFXAVAKFJ-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924386 347454663 /nfs/dbraw/zinc/45/46/63/347454663.db2.gz HOURUNJOQWXEQN-SECBINFHSA-N 1 2 237.303 1.183 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924386 347454665 /nfs/dbraw/zinc/45/46/65/347454665.db2.gz HOURUNJOQWXEQN-SECBINFHSA-N 1 2 237.303 1.183 20 0 BDADLO C=C/C(C)=C\CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927513 347455064 /nfs/dbraw/zinc/45/50/64/347455064.db2.gz KJANCLGUCHVJBW-YHYXMXQVSA-N 1 2 219.288 1.891 20 0 BDADLO C=C/C(C)=C\CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927513 347455067 /nfs/dbraw/zinc/45/50/67/347455067.db2.gz KJANCLGUCHVJBW-YHYXMXQVSA-N 1 2 219.288 1.891 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924387 347455212 /nfs/dbraw/zinc/45/52/12/347455212.db2.gz HOURUNJOQWXEQN-VIFPVBQESA-N 1 2 237.303 1.183 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924387 347455214 /nfs/dbraw/zinc/45/52/14/347455214.db2.gz HOURUNJOQWXEQN-VIFPVBQESA-N 1 2 237.303 1.183 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)[C@H]1SC ZINC000571522750 323146728 /nfs/dbraw/zinc/14/67/28/323146728.db2.gz QALQCPIFHXEFIS-HBNTYKKESA-N 1 2 241.360 1.408 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928798 347495915 /nfs/dbraw/zinc/49/59/15/347495915.db2.gz MTBRTUMDLHTHHT-KOLCDFICSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928798 347495918 /nfs/dbraw/zinc/49/59/18/347495918.db2.gz MTBRTUMDLHTHHT-KOLCDFICSA-N 1 2 239.319 1.429 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000616928979 347496049 /nfs/dbraw/zinc/49/60/49/347496049.db2.gz QJEQFEFIEYHFIJ-MNOVXSKESA-N 1 2 219.288 1.414 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000616928979 347496051 /nfs/dbraw/zinc/49/60/51/347496051.db2.gz QJEQFEFIEYHFIJ-MNOVXSKESA-N 1 2 219.288 1.414 20 0 BDADLO O=C(C1CCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590729512 347497306 /nfs/dbraw/zinc/49/73/06/347497306.db2.gz DHTJVASHVKIOHC-GFCCVEGCSA-N 1 2 233.315 1.847 20 0 BDADLO CC(C)n1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616925920 347457881 /nfs/dbraw/zinc/45/78/81/347457881.db2.gz VRZACGKRKLRVEY-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO CC(C)n1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616925920 347457882 /nfs/dbraw/zinc/45/78/82/347457882.db2.gz VRZACGKRKLRVEY-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO CCCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616926689 347458529 /nfs/dbraw/zinc/45/85/29/347458529.db2.gz MBOBIEMUGHQPQF-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CCCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616926689 347458531 /nfs/dbraw/zinc/45/85/31/347458531.db2.gz MBOBIEMUGHQPQF-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616927008 347459302 /nfs/dbraw/zinc/45/93/02/347459302.db2.gz YEOAUHCQXSZSJV-UWVGGRQHSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616927008 347459306 /nfs/dbraw/zinc/45/93/06/347459306.db2.gz YEOAUHCQXSZSJV-UWVGGRQHSA-N 1 2 221.304 1.804 20 0 BDADLO CC(C)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000364530330 347460486 /nfs/dbraw/zinc/46/04/86/347460486.db2.gz MSEXHCXSUXJQIU-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)n1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616928040 347467081 /nfs/dbraw/zinc/46/70/81/347467081.db2.gz WKVPOFHWXCBLHK-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO CC(C)n1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616928040 347467084 /nfs/dbraw/zinc/46/70/84/347467084.db2.gz WKVPOFHWXCBLHK-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601914 347476120 /nfs/dbraw/zinc/47/61/20/347476120.db2.gz SROMDELKSOIGMU-VXGBXAGGSA-N 1 2 248.326 1.823 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601914 347476122 /nfs/dbraw/zinc/47/61/22/347476122.db2.gz SROMDELKSOIGMU-VXGBXAGGSA-N 1 2 248.326 1.823 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1CCC(F)(F)F ZINC000334166330 347518779 /nfs/dbraw/zinc/51/87/79/347518779.db2.gz AMODAISONXJVGQ-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1CCC(F)(F)F ZINC000334166330 347518783 /nfs/dbraw/zinc/51/87/83/347518783.db2.gz AMODAISONXJVGQ-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO Cc1ccccc1CCC[N@@H+]1CCNC(=O)C1 ZINC000084676718 179262605 /nfs/dbraw/zinc/26/26/05/179262605.db2.gz HMJDISUTDUXFQU-UHFFFAOYSA-N 1 2 232.327 1.359 20 0 BDADLO Cc1ccccc1CCC[N@H+]1CCNC(=O)C1 ZINC000084676718 179262606 /nfs/dbraw/zinc/26/26/06/179262606.db2.gz HMJDISUTDUXFQU-UHFFFAOYSA-N 1 2 232.327 1.359 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCS[C@H](C)C2)n1 ZINC000590944129 347591156 /nfs/dbraw/zinc/59/11/56/347591156.db2.gz ROYOZXQBPYVVLT-SFYZADRCSA-N 1 2 227.333 1.876 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCS[C@H](C)C2)n1 ZINC000590944129 347591157 /nfs/dbraw/zinc/59/11/57/347591157.db2.gz ROYOZXQBPYVVLT-SFYZADRCSA-N 1 2 227.333 1.876 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000591673079 347684852 /nfs/dbraw/zinc/68/48/52/347684852.db2.gz KXGYFOVIUSWFKA-SVRRBLITSA-N 1 2 245.373 1.011 20 0 BDADLO Cc1nnc(CN2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000591867933 347708350 /nfs/dbraw/zinc/70/83/50/347708350.db2.gz UKOKWQKYHVWLSE-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nnc(CN2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000591867937 347708536 /nfs/dbraw/zinc/70/85/36/347708536.db2.gz UKOKWQKYHVWLSE-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)C(C)C ZINC000592368466 347770627 /nfs/dbraw/zinc/77/06/27/347770627.db2.gz OYTRMSXJMNLDTK-WOPDTQHZSA-N 1 2 243.347 1.730 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592365531 347774787 /nfs/dbraw/zinc/77/47/87/347774787.db2.gz YCGGMFUPLJVHLL-AEJSXWLSSA-N 1 2 229.320 1.484 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000592365511 347774904 /nfs/dbraw/zinc/77/49/04/347774904.db2.gz WCBQUWBMNHCPEP-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)C(=O)OC ZINC000592445278 347779981 /nfs/dbraw/zinc/77/99/81/347779981.db2.gz HGHMIOOAZUYCFZ-OUAUKWLOSA-N 1 2 243.347 1.874 20 0 BDADLO CC[N@H+](CCSC)CC(=O)c1cccn1C ZINC000592202833 347754946 /nfs/dbraw/zinc/75/49/46/347754946.db2.gz ZQNCPKAJNACJLG-UHFFFAOYSA-N 1 2 240.372 1.893 20 0 BDADLO CC[N@@H+](CCSC)CC(=O)c1cccn1C ZINC000592202833 347754949 /nfs/dbraw/zinc/75/49/49/347754949.db2.gz ZQNCPKAJNACJLG-UHFFFAOYSA-N 1 2 240.372 1.893 20 0 BDADLO CSCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000593110328 347861167 /nfs/dbraw/zinc/86/11/67/347861167.db2.gz OZGVEGANGDKLDT-LLVKDONJSA-N 1 2 241.360 1.156 20 0 BDADLO CSCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000593110328 347861168 /nfs/dbraw/zinc/86/11/68/347861168.db2.gz OZGVEGANGDKLDT-LLVKDONJSA-N 1 2 241.360 1.156 20 0 BDADLO C[C@H]1CSC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577387258 365941588 /nfs/dbraw/zinc/94/15/88/365941588.db2.gz DMIXCIKXICZPAB-UWVGGRQHSA-N 1 2 242.388 1.196 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2ccco2)C[C@H](C)O1 ZINC000593678397 347931574 /nfs/dbraw/zinc/93/15/74/347931574.db2.gz LIHYLQADTOZTBN-ONGXEEELSA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccco2)C[C@H](C)O1 ZINC000593678397 347931575 /nfs/dbraw/zinc/93/15/75/347931575.db2.gz LIHYLQADTOZTBN-ONGXEEELSA-N 1 2 239.271 1.042 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(F)F ZINC000577412277 365949806 /nfs/dbraw/zinc/94/98/06/365949806.db2.gz NEJMRZCVSKAAFE-APPZFPTMSA-N 1 2 245.273 1.748 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(F)F ZINC000577412277 365949813 /nfs/dbraw/zinc/94/98/13/365949813.db2.gz NEJMRZCVSKAAFE-APPZFPTMSA-N 1 2 245.273 1.748 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000594045598 347988442 /nfs/dbraw/zinc/98/84/42/347988442.db2.gz ZWJNZWKEEGVGMU-WDEREUQCSA-N 1 2 229.320 1.487 20 0 BDADLO CCSCC[N@H+](C)Cc1nc(C)no1 ZINC000594053167 348009237 /nfs/dbraw/zinc/00/92/37/348009237.db2.gz NSANQAUMABCSLK-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CCSCC[N@@H+](C)Cc1nc(C)no1 ZINC000594053167 348009238 /nfs/dbraw/zinc/00/92/38/348009238.db2.gz NSANQAUMABCSLK-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CS[C@@H](C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594949343 348147213 /nfs/dbraw/zinc/14/72/13/348147213.db2.gz CHWUJTURGLZXDP-QMMMGPOBSA-N 1 2 243.380 1.269 20 0 BDADLO Cc1c[nH]c(CN[C@H](C)C(=O)OC(C)(C)C)[nH+]1 ZINC000594924758 348156884 /nfs/dbraw/zinc/15/68/84/348156884.db2.gz NEHGAAJGGRWWDD-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncccc1C ZINC000267541239 179364511 /nfs/dbraw/zinc/36/45/11/179364511.db2.gz VMYMBXHHCCWIKD-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000616571163 348175863 /nfs/dbraw/zinc/17/58/63/348175863.db2.gz JUFRWWNBNVDCFS-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO C[C@H](C[NH2+][C@H](C)c1cscn1)S(C)(=O)=O ZINC000308833621 323179680 /nfs/dbraw/zinc/17/96/80/323179680.db2.gz HEJPZAKWTCRLAI-HTQZYQBOSA-N 1 2 248.373 1.227 20 0 BDADLO Cc1nc(N[C@H]2C[C@]2(C)C(C)C)nc(N)[nH+]1 ZINC000397165488 362861824 /nfs/dbraw/zinc/86/18/24/362861824.db2.gz ZWXKJJBHUSBVBZ-GZMMTYOYSA-N 1 2 221.308 1.439 20 0 BDADLO Cc1nc(N)nc(N[C@H]2C[C@]2(C)C(C)C)[nH+]1 ZINC000397165488 362861827 /nfs/dbraw/zinc/86/18/27/362861827.db2.gz ZWXKJJBHUSBVBZ-GZMMTYOYSA-N 1 2 221.308 1.439 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c(C)o1 ZINC000595423033 348245619 /nfs/dbraw/zinc/24/56/19/348245619.db2.gz DIBRBMNJKZOVRH-BCTVWOGZSA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@](C)=O)c(C)o1 ZINC000595423033 348245621 /nfs/dbraw/zinc/24/56/21/348245621.db2.gz DIBRBMNJKZOVRH-BCTVWOGZSA-N 1 2 244.360 1.490 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1COC(C)(C)C1)C1CC1 ZINC000396567174 348255274 /nfs/dbraw/zinc/25/52/74/348255274.db2.gz CNHXCTVSRFSKLK-NXEZZACHSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186676709 179375643 /nfs/dbraw/zinc/37/56/43/179375643.db2.gz SXXTWTSUHLJPSF-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000186676709 179375646 /nfs/dbraw/zinc/37/56/46/179375646.db2.gz SXXTWTSUHLJPSF-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO CSC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000595513339 348267059 /nfs/dbraw/zinc/26/70/59/348267059.db2.gz ZZXJMPMRVJWFMC-SNVBAGLBSA-N 1 2 240.376 1.422 20 0 BDADLO CSC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000595513339 348267062 /nfs/dbraw/zinc/26/70/62/348267062.db2.gz ZZXJMPMRVJWFMC-SNVBAGLBSA-N 1 2 240.376 1.422 20 0 BDADLO CCC(C)(C)CC[NH2+][C@@](C)(CO)C(=O)OC ZINC000595527823 348272142 /nfs/dbraw/zinc/27/21/42/348272142.db2.gz RQZMVTSUKCXQJA-LBPRGKRZSA-N 1 2 231.336 1.326 20 0 BDADLO CC[C@@](COC)([NH2+]CCC=C(C)C)C(=O)OC ZINC000595528685 348272598 /nfs/dbraw/zinc/27/25/98/348272598.db2.gz DEWFJBNIOHTPQN-ZDUSSCGKSA-N 1 2 243.347 1.901 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCC1CCCCC1 ZINC000595530924 348273323 /nfs/dbraw/zinc/27/33/23/348273323.db2.gz BFKMRNLBNFRQFQ-ZDUSSCGKSA-N 1 2 243.347 1.470 20 0 BDADLO CC[C@@H](C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000419283439 192121967 /nfs/dbraw/zinc/12/19/67/192121967.db2.gz NCWPUTXSZBBMBX-BDAKNGLRSA-N 1 2 225.279 1.359 20 0 BDADLO CC[C@@H](C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000419283439 192121968 /nfs/dbraw/zinc/12/19/68/192121968.db2.gz NCWPUTXSZBBMBX-BDAKNGLRSA-N 1 2 225.279 1.359 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@H](C)O)CC[C@@H](C)CC1 ZINC000595703287 348308042 /nfs/dbraw/zinc/30/80/42/348308042.db2.gz BKIMYQKVCYZFOW-NHCYSSNCSA-N 1 2 229.320 1.079 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cccnc1C ZINC000595679494 348311389 /nfs/dbraw/zinc/31/13/89/348311389.db2.gz FBMKVNKKLRDLMU-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cccnc1C ZINC000595679494 348311390 /nfs/dbraw/zinc/31/13/90/348311390.db2.gz FBMKVNKKLRDLMU-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000595680344 348311966 /nfs/dbraw/zinc/31/19/66/348311966.db2.gz QJJPQUSNCLUKGQ-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO CCC(=O)CCC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595680344 348311972 /nfs/dbraw/zinc/31/19/72/348311972.db2.gz QJJPQUSNCLUKGQ-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO C[N@@H+](Cc1ccncc1)C[C@@H](O)C(F)(F)F ZINC000082680118 348326444 /nfs/dbraw/zinc/32/64/44/348326444.db2.gz GWVFVODSYXHLKJ-SECBINFHSA-N 1 2 234.221 1.437 20 0 BDADLO C[N@H+](Cc1ccncc1)C[C@@H](O)C(F)(F)F ZINC000082680118 348326448 /nfs/dbraw/zinc/32/64/48/348326448.db2.gz GWVFVODSYXHLKJ-SECBINFHSA-N 1 2 234.221 1.437 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccccn1 ZINC000595860252 348382976 /nfs/dbraw/zinc/38/29/76/348382976.db2.gz PYONTTNDAOFNLN-UHFFFAOYSA-N 1 2 246.310 1.609 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccccn1 ZINC000595860252 348382979 /nfs/dbraw/zinc/38/29/79/348382979.db2.gz PYONTTNDAOFNLN-UHFFFAOYSA-N 1 2 246.310 1.609 20 0 BDADLO CCCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596051324 348432676 /nfs/dbraw/zinc/43/26/76/348432676.db2.gz PLCWKXVMMPPXEB-UHFFFAOYSA-N 1 2 222.288 1.431 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC000419329468 192128983 /nfs/dbraw/zinc/12/89/83/192128983.db2.gz FMOHXQMPBQJULH-CKYFFXLPSA-N 1 2 235.283 1.677 20 0 BDADLO CCOC(=O)c1cncc(-c2c[nH+]cn2C)c1 ZINC000596638805 348598913 /nfs/dbraw/zinc/59/89/13/348598913.db2.gz QODQQIYXHGZWAV-UHFFFAOYSA-N 1 2 231.255 1.659 20 0 BDADLO COC(=O)c1oc(C[NH2+]Cc2cc[nH]n2)cc1C ZINC000597044458 348652859 /nfs/dbraw/zinc/65/28/59/348652859.db2.gz YMWULNZGANKISS-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO CC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)C)CO1 ZINC000597142441 348662033 /nfs/dbraw/zinc/66/20/33/348662033.db2.gz QQDSZUZLADJSFV-DCAQKATOSA-N 1 2 229.320 1.484 20 0 BDADLO CCO[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627374692 348667992 /nfs/dbraw/zinc/66/79/92/348667992.db2.gz AHGLPBCKAIGSCD-LBPRGKRZSA-N 1 2 249.314 1.110 20 0 BDADLO CCO[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627374692 348667994 /nfs/dbraw/zinc/66/79/94/348667994.db2.gz AHGLPBCKAIGSCD-LBPRGKRZSA-N 1 2 249.314 1.110 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421750386 192379507 /nfs/dbraw/zinc/37/95/07/192379507.db2.gz JSYOVTBVGSTBFG-XQHKEYJVSA-N 1 2 247.342 1.824 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661746166 490213191 /nfs/dbraw/zinc/21/31/91/490213191.db2.gz WTSUAFLMUUTAEY-GFCCVEGCSA-N 1 2 240.351 1.044 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661746166 490213198 /nfs/dbraw/zinc/21/31/98/490213198.db2.gz WTSUAFLMUUTAEY-GFCCVEGCSA-N 1 2 240.351 1.044 20 0 BDADLO CCOCCCSc1nc(N)cc(C)[nH+]1 ZINC000116290622 323204246 /nfs/dbraw/zinc/20/42/46/323204246.db2.gz VNLVBBNKJWBERF-UHFFFAOYSA-N 1 2 227.333 1.886 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000247596810 349119611 /nfs/dbraw/zinc/11/96/11/349119611.db2.gz SODUBLDXHFJXIC-HBNTYKKESA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000247596810 349119616 /nfs/dbraw/zinc/11/96/16/349119616.db2.gz SODUBLDXHFJXIC-HBNTYKKESA-N 1 2 229.320 1.437 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)(F)F ZINC000599301528 349142564 /nfs/dbraw/zinc/14/25/64/349142564.db2.gz JFAQMIKHZAHJCT-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)NCC(F)(F)F ZINC000599301528 349142568 /nfs/dbraw/zinc/14/25/68/349142568.db2.gz JFAQMIKHZAHJCT-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO CCO[C@@H](C[NH2+][C@@H](C(=O)OC)C(C)C)C1CC1 ZINC000599359777 349159431 /nfs/dbraw/zinc/15/94/31/349159431.db2.gz UQTQJFAYKWJYFB-NWDGAFQWSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000599624898 349230861 /nfs/dbraw/zinc/23/08/61/349230861.db2.gz KFAFZAKQRDGBRX-KLBPJQLPSA-N 1 2 243.347 1.730 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000603791201 350027157 /nfs/dbraw/zinc/02/71/57/350027157.db2.gz ODWNUTUFAFSKEI-PSASIEDQSA-N 1 2 204.273 1.660 20 0 BDADLO COC(=O)c1ccc(C[NH2+]CC(F)F)n1C ZINC000602017774 349417933 /nfs/dbraw/zinc/41/79/33/349417933.db2.gz VHZOMYUEYFCHIO-UHFFFAOYSA-N 1 2 232.230 1.166 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc2ccsc2[nH]1 ZINC000603870511 350047022 /nfs/dbraw/zinc/04/70/22/350047022.db2.gz LIKQAUDUXHLOGR-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cn[nH]c1 ZINC000603884574 350048707 /nfs/dbraw/zinc/04/87/07/350048707.db2.gz XZJVBSZYHZWYCB-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CCN(C(=O)[C@@H]1COCC[N@@H+]1CC)C1CCC1 ZINC000636893217 350049908 /nfs/dbraw/zinc/04/99/08/350049908.db2.gz SNVVBYROOANJKG-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C(=O)[C@@H]1COCC[N@H+]1CC)C1CCC1 ZINC000636893217 350049912 /nfs/dbraw/zinc/04/99/12/350049912.db2.gz SNVVBYROOANJKG-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CC1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000636898901 350054977 /nfs/dbraw/zinc/05/49/77/350054977.db2.gz XMFPLKLCKNKNHR-JTQLQIEISA-N 1 2 248.330 1.297 20 0 BDADLO Cc1nc(NC(=O)NCc2[nH]cc[nH+]2)oc1C ZINC000269355234 180011145 /nfs/dbraw/zinc/01/11/45/180011145.db2.gz KYZJTOKRUSYFDZ-UHFFFAOYSA-N 1 2 235.247 1.336 20 0 BDADLO CC[C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074087434 490298657 /nfs/dbraw/zinc/29/86/57/490298657.db2.gz MJZVQWNDSCYXFE-GHMZBOCLSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@H]3C[C@H]3C)CCO2)no1 ZINC000330184256 180044488 /nfs/dbraw/zinc/04/44/88/180044488.db2.gz IJTKPJPOETXRCP-IEBDPFPHSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@H]3C[C@H]3C)CCO2)no1 ZINC000330184256 180044491 /nfs/dbraw/zinc/04/44/91/180044491.db2.gz IJTKPJPOETXRCP-IEBDPFPHSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2C[C@H]2C)[nH+]1 ZINC000336780363 180059319 /nfs/dbraw/zinc/05/93/19/180059319.db2.gz RBSPXAHWUNXCOF-VXNVDRBHSA-N 1 2 216.288 1.756 20 0 BDADLO Cc1nc(N2CC(CCO)C2)c2c([nH+]1)CCCC2 ZINC000359735161 180068097 /nfs/dbraw/zinc/06/80/97/180068097.db2.gz XTQGZGLHTXZJEU-UHFFFAOYSA-N 1 2 247.342 1.482 20 0 BDADLO Cc1co[nH]c1=NCc1c(C)[nH+]c2ccccn21 ZINC000358379572 180106644 /nfs/dbraw/zinc/10/66/44/180106644.db2.gz MAAXMHHAMXTUHD-UHFFFAOYSA-N 1 2 242.282 1.973 20 0 BDADLO CC[C@](C)([NH2+]Cc1csc(C)n1)C(N)=O ZINC000133104090 191037035 /nfs/dbraw/zinc/03/70/35/191037035.db2.gz JEKZXIIFFFNEKM-JTQLQIEISA-N 1 2 227.333 1.195 20 0 BDADLO CC(C)[C@@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000067899810 350158570 /nfs/dbraw/zinc/15/85/70/350158570.db2.gz FVVNEGQNJMSLOH-LBPRGKRZSA-N 1 2 242.363 1.117 20 0 BDADLO CC[C@@H](CSC)N(C)c1nc(C)[nH+]c(N)n1 ZINC000304553340 350161912 /nfs/dbraw/zinc/16/19/12/350161912.db2.gz XSWMHZWJMUNFKZ-QMMMGPOBSA-N 1 2 241.364 1.340 20 0 BDADLO CC[C@@H](CSC)N(C)c1nc(N)nc(C)[nH+]1 ZINC000304553340 350161914 /nfs/dbraw/zinc/16/19/14/350161914.db2.gz XSWMHZWJMUNFKZ-QMMMGPOBSA-N 1 2 241.364 1.340 20 0 BDADLO Cc1[nH]c(C(=O)NCCOc2ccccc2)c[nH+]1 ZINC000339225382 180129673 /nfs/dbraw/zinc/12/96/73/180129673.db2.gz NWLVLMDOBQNNNO-UHFFFAOYSA-N 1 2 245.282 1.527 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)CC2CC2)c[nH+]1 ZINC000331670171 180133789 /nfs/dbraw/zinc/13/37/89/180133789.db2.gz NTIHCTNKIVWDGU-SSDOTTSWSA-N 1 2 207.277 1.637 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000339030729 180141980 /nfs/dbraw/zinc/14/19/80/180141980.db2.gz YFCIRKDGLLHSDP-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000339030729 180141981 /nfs/dbraw/zinc/14/19/81/180141981.db2.gz YFCIRKDGLLHSDP-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000338224172 180119224 /nfs/dbraw/zinc/11/92/24/180119224.db2.gz DBBGGHNYHUEYOE-BQBZGAKWSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@]1(C)C(C)C ZINC000333713837 180119453 /nfs/dbraw/zinc/11/94/53/180119453.db2.gz GUWIGBKEOIDRSL-YPMHNXCESA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@@]1(C)C(C)C ZINC000333713837 180119454 /nfs/dbraw/zinc/11/94/54/180119454.db2.gz GUWIGBKEOIDRSL-YPMHNXCESA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000333074702 180119533 /nfs/dbraw/zinc/11/95/33/180119533.db2.gz VRVOKYCOHRAKLN-UWVGGRQHSA-N 1 2 219.288 1.380 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@H](C)C1 ZINC000336440363 180119824 /nfs/dbraw/zinc/11/98/24/180119824.db2.gz GRDKPCSHZUVXBO-WPRPVWTQSA-N 1 2 221.304 1.771 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCSC1 ZINC000336583613 180120810 /nfs/dbraw/zinc/12/08/10/180120810.db2.gz UCEDIUABHDAGSZ-MRVPVSSYSA-N 1 2 225.317 1.087 20 0 BDADLO Cc1nc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c[nH]1 ZINC000329371159 180124802 /nfs/dbraw/zinc/12/48/02/180124802.db2.gz MDVXGBVZGLVENT-SNVBAGLBSA-N 1 2 245.286 1.419 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccn(C)n2)s1 ZINC000112837814 180154200 /nfs/dbraw/zinc/15/42/00/180154200.db2.gz JMDQCKBSQSOSOO-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1ncc(CNc2ccc(N(C)C)[nH+]c2)cn1 ZINC000355702332 180160887 /nfs/dbraw/zinc/16/08/87/180160887.db2.gz NFJPFORZJWGSDQ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1ncc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000289309085 180166168 /nfs/dbraw/zinc/16/61/68/180166168.db2.gz ZYLHJIXLPBQSGM-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)CC1CCOCC1 ZINC000309947737 191068826 /nfs/dbraw/zinc/06/88/26/191068826.db2.gz DWONAPNFYLRKJL-SRVKXCTJSA-N 1 2 229.364 1.941 20 0 BDADLO COc1ccccc1[C@@H](CO)NCc1[nH]cc[nH+]1 ZINC000604770413 350186442 /nfs/dbraw/zinc/18/64/42/350186442.db2.gz YAUIFACBVBVCDM-LLVKDONJSA-N 1 2 247.298 1.242 20 0 BDADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ncc[nH]1 ZINC000604770413 350186443 /nfs/dbraw/zinc/18/64/43/350186443.db2.gz YAUIFACBVBVCDM-LLVKDONJSA-N 1 2 247.298 1.242 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]c(C3CC3)n2)[nH]n1 ZINC000604756577 350187649 /nfs/dbraw/zinc/18/76/49/350187649.db2.gz LTDRZRCPTHLZEU-UHFFFAOYSA-N 1 2 243.314 1.728 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]c(C3CC3)n2)n[nH]1 ZINC000604756577 350187652 /nfs/dbraw/zinc/18/76/52/350187652.db2.gz LTDRZRCPTHLZEU-UHFFFAOYSA-N 1 2 243.314 1.728 20 0 BDADLO Cc1nc(N2CC[C@](O)(C3CC3)C2)cc[nH+]1 ZINC000377467839 180194164 /nfs/dbraw/zinc/19/41/64/180194164.db2.gz KJJMFWSYNWMLDB-GFCCVEGCSA-N 1 2 219.288 1.136 20 0 BDADLO O=C(Nc1cnns1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427493155 191077970 /nfs/dbraw/zinc/07/79/70/191077970.db2.gz RBBDDTLUARGBHG-MRVPVSSYSA-N 1 2 238.316 1.103 20 0 BDADLO O=C(Nc1cnns1)[C@H]1CCC[N@H+]1C1CC1 ZINC000427493155 191077974 /nfs/dbraw/zinc/07/79/74/191077974.db2.gz RBBDDTLUARGBHG-MRVPVSSYSA-N 1 2 238.316 1.103 20 0 BDADLO Cc1nc(NCC2([C@H](O)C(C)C)CC2)cc[nH+]1 ZINC000271839940 180199223 /nfs/dbraw/zinc/19/92/23/180199223.db2.gz QBWWCFSVUHQTAC-GFCCVEGCSA-N 1 2 235.331 1.994 20 0 BDADLO CNC(=O)c1cccc(C[NH2+]Cc2cocn2)c1 ZINC000428849326 191078469 /nfs/dbraw/zinc/07/84/69/191078469.db2.gz KFQSHXBJYUFHCI-UHFFFAOYSA-N 1 2 245.282 1.324 20 0 BDADLO Cc1nc(NC[C@]2(O)CCC[C@H]2C)cc[nH+]1 ZINC000292699785 180200947 /nfs/dbraw/zinc/20/09/47/180200947.db2.gz ALRIIYIHOLXUIU-BXKDBHETSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H](C(N)=O)c2ccccc2)cc[nH+]1 ZINC000360226334 180202486 /nfs/dbraw/zinc/20/24/86/180202486.db2.gz WMLZZPOBFITVPW-GFCCVEGCSA-N 1 2 242.282 1.424 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000361040768 180205566 /nfs/dbraw/zinc/20/55/66/180205566.db2.gz QJFGKMFZMOQMHA-UWVGGRQHSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1nccnc1NCc1cn2ccccc2[nH+]1 ZINC000357312557 180179263 /nfs/dbraw/zinc/17/92/63/180179263.db2.gz JJUQRYBFSOCNNY-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO Cc1nc(NCC2(C(F)(F)F)CC2)cc[nH+]1 ZINC000336738580 180179474 /nfs/dbraw/zinc/17/94/74/180179474.db2.gz OJJYEEACTWPAOI-UHFFFAOYSA-N 1 2 231.221 1.961 20 0 BDADLO Cc1nccnc1NCc1ccn2cc[nH+]c2c1 ZINC000357436252 180179596 /nfs/dbraw/zinc/17/95/96/180179596.db2.gz IWOYESFTLLJIKX-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000340980757 180181323 /nfs/dbraw/zinc/18/13/23/180181323.db2.gz YNEAAZOCLXZNSZ-NWDGAFQWSA-N 1 2 235.331 1.418 20 0 BDADLO Cc1nc(NC[C@@]2(C)CCO[C@H]2C2CC2)cc[nH+]1 ZINC000368780538 180181773 /nfs/dbraw/zinc/18/17/73/180181773.db2.gz WFLCHPXSOAETJG-UONOGXRCSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1nc(NCCc2ccccc2O)cc[nH+]1 ZINC000360534876 180182265 /nfs/dbraw/zinc/18/22/65/180182265.db2.gz LDKBJNPJOLUQNG-UHFFFAOYSA-N 1 2 229.283 1.567 20 0 BDADLO Cc1[nH+]cccc1N[C@H]1CCCS(=O)(=O)C1 ZINC000085726708 180227779 /nfs/dbraw/zinc/22/77/79/180227779.db2.gz UTGFIRRMSACIPX-JTQLQIEISA-N 1 2 240.328 1.379 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N(C1CC1)C1CC1 ZINC000637185959 350245668 /nfs/dbraw/zinc/24/56/68/350245668.db2.gz BVUMAHZDGGNZMQ-UHFFFAOYSA-N 1 2 248.330 1.739 20 0 BDADLO Cc1nccnc1N(C)Cc1[nH]cc[nH+]1 ZINC000357525901 180275737 /nfs/dbraw/zinc/27/57/37/180275737.db2.gz FLFVMGPINBCRNL-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO COc1ccncc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000606360175 350318245 /nfs/dbraw/zinc/31/82/45/350318245.db2.gz ZHIWDRMEXXENEB-LLVKDONJSA-N 1 2 249.314 1.513 20 0 BDADLO COc1ccncc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000606360175 350318247 /nfs/dbraw/zinc/31/82/47/350318247.db2.gz ZHIWDRMEXXENEB-LLVKDONJSA-N 1 2 249.314 1.513 20 0 BDADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(N)=O ZINC000606449432 350339532 /nfs/dbraw/zinc/33/95/32/350339532.db2.gz WITZDTFEFGLNOA-QMMMGPOBSA-N 1 2 222.263 1.230 20 0 BDADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(N)=O ZINC000606449432 350339535 /nfs/dbraw/zinc/33/95/35/350339535.db2.gz WITZDTFEFGLNOA-QMMMGPOBSA-N 1 2 222.263 1.230 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccoc1 ZINC000122259388 362954633 /nfs/dbraw/zinc/95/46/33/362954633.db2.gz QTOFMPACWPVHCO-UHFFFAOYSA-N 1 2 205.261 1.786 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606540431 350357264 /nfs/dbraw/zinc/35/72/64/350357264.db2.gz NVEKIELOABEWLZ-SECBINFHSA-N 1 2 236.290 1.491 20 0 BDADLO CNC(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606540431 350357267 /nfs/dbraw/zinc/35/72/67/350357267.db2.gz NVEKIELOABEWLZ-SECBINFHSA-N 1 2 236.290 1.491 20 0 BDADLO Cc1cn2cc(NC(=O)NCCCO)ccc2[nH+]1 ZINC000606569255 350368459 /nfs/dbraw/zinc/36/84/59/350368459.db2.gz HOYXGMNLKSLLPH-UHFFFAOYSA-N 1 2 248.286 1.147 20 0 BDADLO COCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582190 350373306 /nfs/dbraw/zinc/37/33/06/350373306.db2.gz GPJXEIAOZGFKNQ-UHFFFAOYSA-N 1 2 248.286 1.492 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@H](CC(C)C)C(=O)OC)OC ZINC000319856759 350377137 /nfs/dbraw/zinc/37/71/37/350377137.db2.gz LNEPNTCRBJKKLW-AAEUAGOBSA-N 1 2 245.363 1.979 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@]12C[C@H]1CCC2 ZINC000617214303 350384455 /nfs/dbraw/zinc/38/44/55/350384455.db2.gz SYEHVXCWJOQWEN-ZWNOBZJWSA-N 1 2 233.315 1.412 20 0 BDADLO C[C@H](CC(=O)N[C@@]12C[C@@H]1CCC2)n1cc[nH+]c1 ZINC000617219023 350389715 /nfs/dbraw/zinc/38/97/15/350389715.db2.gz SZDXWQRLVHMEQF-MDZLAQPJSA-N 1 2 233.315 1.893 20 0 BDADLO O=C(NCC1=CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637286032 350398578 /nfs/dbraw/zinc/39/85/78/350398578.db2.gz UWHNDDWOGFRPLV-NSHDSACASA-N 1 2 246.314 1.217 20 0 BDADLO Cc1nn(C)c(C)c1OCc1c[nH+]cn1C ZINC000268146589 180347775 /nfs/dbraw/zinc/34/77/75/180347775.db2.gz SXLLDHYNCPABHE-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000195046302 180338723 /nfs/dbraw/zinc/33/87/23/180338723.db2.gz PYNSDKLXTLWYLQ-SECBINFHSA-N 1 2 223.320 1.258 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000195046302 180338725 /nfs/dbraw/zinc/33/87/25/180338725.db2.gz PYNSDKLXTLWYLQ-SECBINFHSA-N 1 2 223.320 1.258 20 0 BDADLO Cc1c[nH]c(CN2CC(C(F)F)C2)[nH+]1 ZINC000628307067 350440113 /nfs/dbraw/zinc/44/01/13/350440113.db2.gz LPQGVGSCCPIIBR-UHFFFAOYSA-N 1 2 201.220 1.415 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC3(C2)CCOCC3)n1 ZINC000628307091 350441687 /nfs/dbraw/zinc/44/16/87/350441687.db2.gz NAGGMUAOECLOKJ-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428001019 191105816 /nfs/dbraw/zinc/10/58/16/191105816.db2.gz NOUMCJBIZRWGSA-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428001021 191105720 /nfs/dbraw/zinc/10/57/20/191105720.db2.gz NOUMCJBIZRWGSA-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000336783248 350512009 /nfs/dbraw/zinc/51/20/09/350512009.db2.gz ZWKXPYPFMYZJSD-SECBINFHSA-N 1 2 217.272 1.235 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)[C@@H](C)CO)C(=O)OCC ZINC000228728220 350556632 /nfs/dbraw/zinc/55/66/32/350556632.db2.gz QVXYCQWPPCTHHU-AXFHLTTASA-N 1 2 231.336 1.325 20 0 BDADLO CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CC(=O)N(C)C1 ZINC000443852878 191110036 /nfs/dbraw/zinc/11/00/36/191110036.db2.gz LVOUPMQYNCIZBQ-VXGBXAGGSA-N 1 2 222.332 1.710 20 0 BDADLO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CC(=O)N(C)C1 ZINC000443852878 191110039 /nfs/dbraw/zinc/11/00/39/191110039.db2.gz LVOUPMQYNCIZBQ-VXGBXAGGSA-N 1 2 222.332 1.710 20 0 BDADLO CCCC[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000337239881 350565114 /nfs/dbraw/zinc/56/51/14/350565114.db2.gz ZXMZIGUPRATATA-GFCCVEGCSA-N 1 2 242.363 1.261 20 0 BDADLO Cc1nnc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000287747362 180426387 /nfs/dbraw/zinc/42/63/87/180426387.db2.gz GPFYYOFKTMGMME-KOLCDFICSA-N 1 2 247.302 1.662 20 0 BDADLO C[NH2+]C[C@@H](C)CN=c1nc(-c2ccccc2)o[nH]1 ZINC000420194990 192173318 /nfs/dbraw/zinc/17/33/18/192173318.db2.gz JVYSHPAOKZBWPG-SNVBAGLBSA-N 1 2 246.314 1.426 20 0 BDADLO COc1ccc[nH+]c1N(C)CCCCO ZINC000384910542 350633193 /nfs/dbraw/zinc/63/31/93/350633193.db2.gz AQSMOVODOJHSPL-UHFFFAOYSA-N 1 2 210.277 1.299 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336138507 535150362 /nfs/dbraw/zinc/15/03/62/535150362.db2.gz XCWXCYWFDXPBNN-VHSXEESVSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336138507 535150363 /nfs/dbraw/zinc/15/03/63/535150363.db2.gz XCWXCYWFDXPBNN-VHSXEESVSA-N 1 2 221.291 1.980 20 0 BDADLO CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H](C)CO ZINC000339625730 350768679 /nfs/dbraw/zinc/76/86/79/350768679.db2.gz BHLOIMHPDYLQPS-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)(C)C)no1)[C@@H](C)CO ZINC000339625730 350768681 /nfs/dbraw/zinc/76/86/81/350768681.db2.gz BHLOIMHPDYLQPS-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H](C)CO ZINC000339633760 350770575 /nfs/dbraw/zinc/77/05/75/350770575.db2.gz WXGQVEXOPJGUMT-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H](C)CO ZINC000339633760 350770578 /nfs/dbraw/zinc/77/05/78/350770578.db2.gz WXGQVEXOPJGUMT-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](CF)C2)o1 ZINC000628310165 350788454 /nfs/dbraw/zinc/78/84/54/350788454.db2.gz QDLOWSQSFRPOQE-JTQLQIEISA-N 1 2 228.267 1.462 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](CF)C2)o1 ZINC000628310165 350788458 /nfs/dbraw/zinc/78/84/58/350788458.db2.gz QDLOWSQSFRPOQE-JTQLQIEISA-N 1 2 228.267 1.462 20 0 BDADLO Cc1nocc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000295440423 180504160 /nfs/dbraw/zinc/50/41/60/180504160.db2.gz ULKJNJFPHXGDIW-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nocc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000295440423 180504162 /nfs/dbraw/zinc/50/41/62/180504162.db2.gz ULKJNJFPHXGDIW-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ccnc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000607058326 350810667 /nfs/dbraw/zinc/81/06/67/350810667.db2.gz WAPPGGLTPSBYJX-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO c1cn(-c2cc(Oc3cccnc3)ncn2)c[nH+]1 ZINC000607058456 350810885 /nfs/dbraw/zinc/81/08/85/350810885.db2.gz FWYDCWDYFRNYAJ-UHFFFAOYSA-N 1 2 239.238 1.850 20 0 BDADLO BrC1=CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000306750285 350934496 /nfs/dbraw/zinc/93/44/96/350934496.db2.gz GNEQJPOKYZICKO-UHFFFAOYSA-N 1 2 242.120 1.894 20 0 BDADLO BrC1=CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000306750285 350934499 /nfs/dbraw/zinc/93/44/99/350934499.db2.gz GNEQJPOKYZICKO-UHFFFAOYSA-N 1 2 242.120 1.894 20 0 BDADLO Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000607147496 350947792 /nfs/dbraw/zinc/94/77/92/350947792.db2.gz PNORBEXEPYETQT-MWLCHTKSSA-N 1 2 249.358 1.903 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607147511 350947960 /nfs/dbraw/zinc/94/79/60/350947960.db2.gz SQRXYCMTIDZSQV-GHMZBOCLSA-N 1 2 243.314 1.897 20 0 BDADLO C[C@H]1CC([NH2+]Cc2c[nH]nn2)C[C@H](C)C1 ZINC000398335960 351036904 /nfs/dbraw/zinc/03/69/04/351036904.db2.gz SRFQSFFZDBCCGT-RKDXNWHRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]1CC([NH2+]Cc2cn[nH]n2)C[C@H](C)C1 ZINC000398335960 351036906 /nfs/dbraw/zinc/03/69/06/351036906.db2.gz SRFQSFFZDBCCGT-RKDXNWHRSA-N 1 2 208.309 1.719 20 0 BDADLO COC1(C[NH2+]Cc2c[nH]nn2)CCCCC1 ZINC000398430025 351155794 /nfs/dbraw/zinc/15/57/94/351155794.db2.gz ZRHLWGUSTOPATH-UHFFFAOYSA-N 1 2 224.308 1.244 20 0 BDADLO COC1(C[NH2+]Cc2cn[nH]n2)CCCCC1 ZINC000398430025 351155797 /nfs/dbraw/zinc/15/57/97/351155797.db2.gz ZRHLWGUSTOPATH-UHFFFAOYSA-N 1 2 224.308 1.244 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000414360455 351162406 /nfs/dbraw/zinc/16/24/06/351162406.db2.gz AJNDALPGVFPACH-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000414360455 351162408 /nfs/dbraw/zinc/16/24/08/351162408.db2.gz AJNDALPGVFPACH-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO COc1ccc([C@@H]2C[N@H+](CCO)CCO2)cc1 ZINC000616649447 351178667 /nfs/dbraw/zinc/17/86/67/351178667.db2.gz UHPFDPBXNSTVEY-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO COc1ccc([C@@H]2C[N@@H+](CCO)CCO2)cc1 ZINC000616649447 351178670 /nfs/dbraw/zinc/17/86/70/351178670.db2.gz UHPFDPBXNSTVEY-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO C[C@@H]1C[N@H+](CCC(F)(F)F)CCC1=O ZINC000063100374 351140651 /nfs/dbraw/zinc/14/06/51/351140651.db2.gz FEJNRWRZHOLTED-SSDOTTSWSA-N 1 2 209.211 1.850 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)CCC1=O ZINC000063100374 351140654 /nfs/dbraw/zinc/14/06/54/351140654.db2.gz FEJNRWRZHOLTED-SSDOTTSWSA-N 1 2 209.211 1.850 20 0 BDADLO Cc1c[nH]c(CN(C)[C@H](C)c2nc(C)no2)[nH+]1 ZINC000628327508 351265233 /nfs/dbraw/zinc/26/52/33/351265233.db2.gz CFZQIVDQPOJLSY-MRVPVSSYSA-N 1 2 235.291 1.603 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c(C)nn(C)c2C)o1 ZINC000231730338 351264342 /nfs/dbraw/zinc/26/43/42/351264342.db2.gz FISZOOBNJJCQMY-UHFFFAOYSA-N 1 2 234.303 1.623 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@H]2C2CCC2)[nH+]1 ZINC000628322554 351207272 /nfs/dbraw/zinc/20/72/72/351207272.db2.gz ZWVHGGLBXFFKSD-LBPRGKRZSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]c(CN(C)[C@@H](C)c2nc(C)no2)[nH+]1 ZINC000628327509 351265349 /nfs/dbraw/zinc/26/53/49/351265349.db2.gz CFZQIVDQPOJLSY-QMMMGPOBSA-N 1 2 235.291 1.603 20 0 BDADLO Cc1cc(CSCCn2cc[nH+]c2)nn1C ZINC000090202546 363023168 /nfs/dbraw/zinc/02/31/68/363023168.db2.gz MCKAEVJRXFNYLB-UHFFFAOYSA-N 1 2 236.344 1.858 20 0 BDADLO C[C@]1(C[N@@H+]2CCc3n[nH]nc3C2)CCCS1 ZINC000628352653 351316581 /nfs/dbraw/zinc/31/65/81/351316581.db2.gz PSHWNYANAYWKQN-LLVKDONJSA-N 1 2 238.360 1.449 20 0 BDADLO C[C@]1(C[N@H+]2CCc3n[nH]nc3C2)CCCS1 ZINC000628352653 351316584 /nfs/dbraw/zinc/31/65/84/351316584.db2.gz PSHWNYANAYWKQN-LLVKDONJSA-N 1 2 238.360 1.449 20 0 BDADLO COc1cc2c(cc1OC)C[N@H+](CC(C)=O)CC2 ZINC000034989989 351376865 /nfs/dbraw/zinc/37/68/65/351376865.db2.gz YHLQBFNUNVARMI-UHFFFAOYSA-N 1 2 249.310 1.651 20 0 BDADLO COc1cc2c(cc1OC)C[N@@H+](CC(C)=O)CC2 ZINC000034989989 351376872 /nfs/dbraw/zinc/37/68/72/351376872.db2.gz YHLQBFNUNVARMI-UHFFFAOYSA-N 1 2 249.310 1.651 20 0 BDADLO CCN(Cc1[nH+]ccn1C)CC(F)F ZINC000273266251 351513948 /nfs/dbraw/zinc/51/39/48/351513948.db2.gz CVUQGBBWXAWFEQ-UHFFFAOYSA-N 1 2 203.236 1.507 20 0 BDADLO CCCCOCC[NH2+][C@](C)(CC)C(=O)OC ZINC000336730541 351612280 /nfs/dbraw/zinc/61/22/80/351612280.db2.gz IJQSHEFQTHMUCE-GFCCVEGCSA-N 1 2 231.336 1.734 20 0 BDADLO COc1cncc(C[NH+]2CCOCC2)c1C ZINC000637810030 351650581 /nfs/dbraw/zinc/65/05/81/351650581.db2.gz AOYOKYUCJDYLLY-UHFFFAOYSA-N 1 2 222.288 1.231 20 0 BDADLO CCc1cncc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000279095445 351796611 /nfs/dbraw/zinc/79/66/11/351796611.db2.gz SNEOFDHVHHUVKO-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO C[C@H](C(=O)NCCCn1cc[nH+]c1)c1ccco1 ZINC000607618371 351766566 /nfs/dbraw/zinc/76/65/66/351766566.db2.gz YVUFVGNPNCZJJU-NSHDSACASA-N 1 2 247.298 1.786 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)[C@@H](C)CO1 ZINC000637931113 351807734 /nfs/dbraw/zinc/80/77/34/351807734.db2.gz ZIZZNGFOVQTVGC-DMDPSCGWSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)[C@@H](C)CO1 ZINC000637931113 351807736 /nfs/dbraw/zinc/80/77/36/351807736.db2.gz ZIZZNGFOVQTVGC-DMDPSCGWSA-N 1 2 249.358 1.980 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000618867530 351852130 /nfs/dbraw/zinc/85/21/30/351852130.db2.gz YCLYFLPCSAEBMC-SECBINFHSA-N 1 2 207.277 1.637 20 0 BDADLO CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000618868124 351874686 /nfs/dbraw/zinc/87/46/86/351874686.db2.gz KPMQNEWNDGMSCY-NSHDSACASA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000618868124 351874688 /nfs/dbraw/zinc/87/46/88/351874688.db2.gz KPMQNEWNDGMSCY-NSHDSACASA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638097309 351978056 /nfs/dbraw/zinc/97/80/56/351978056.db2.gz TXMZDVCFZXHPSK-VHSXEESVSA-N 1 2 226.324 1.298 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638097309 351978058 /nfs/dbraw/zinc/97/80/58/351978058.db2.gz TXMZDVCFZXHPSK-VHSXEESVSA-N 1 2 226.324 1.298 20 0 BDADLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000618874673 351998784 /nfs/dbraw/zinc/99/87/84/351998784.db2.gz VMBUBJAOXYQVLO-NSHDSACASA-N 1 2 224.348 1.633 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@H](C)c1nncn1C ZINC000287737163 352132981 /nfs/dbraw/zinc/13/29/81/352132981.db2.gz KWWGZPOUNVZTII-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@H](C)c1nncn1C ZINC000287737163 352132985 /nfs/dbraw/zinc/13/29/85/352132985.db2.gz KWWGZPOUNVZTII-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CCc1nc(N(C)Cc2nccn2C)cc(C)[nH+]1 ZINC000286102281 352077071 /nfs/dbraw/zinc/07/70/71/352077071.db2.gz LESKXBUJDVLTFX-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(O)cc1 ZINC000619509542 352086543 /nfs/dbraw/zinc/08/65/43/352086543.db2.gz WJLNIUMCUOBOFU-VIFPVBQESA-N 1 2 223.272 1.386 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(O)cc1 ZINC000619509542 352086544 /nfs/dbraw/zinc/08/65/44/352086544.db2.gz WJLNIUMCUOBOFU-VIFPVBQESA-N 1 2 223.272 1.386 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000286433450 352088862 /nfs/dbraw/zinc/08/88/62/352088862.db2.gz IHAMLQRZHZXZLI-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO CCCc1csc([C@@H]2COCC[NH2+]2)n1 ZINC000083988510 352202296 /nfs/dbraw/zinc/20/22/96/352202296.db2.gz VQTDSLVNIPVSNR-VIFPVBQESA-N 1 2 212.318 1.757 20 0 BDADLO C[C@@H]([NH2+]Cc1ccco1)c1nnc2n1CCC2 ZINC000037148851 358468838 /nfs/dbraw/zinc/46/88/38/358468838.db2.gz MEDAEYNPTJIPBH-SECBINFHSA-N 1 2 232.287 1.668 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348188041 535176924 /nfs/dbraw/zinc/17/69/24/535176924.db2.gz JMKZBJKXPOTHCC-INIZCTEOSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348188041 535176932 /nfs/dbraw/zinc/17/69/32/535176932.db2.gz JMKZBJKXPOTHCC-INIZCTEOSA-N 1 2 247.404 1.502 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000411232326 191172928 /nfs/dbraw/zinc/17/29/28/191172928.db2.gz SPAHSJOFFVRMLM-VIFPVBQESA-N 1 2 229.320 1.485 20 0 BDADLO CCc1nc(C)c(C(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000293288211 352345479 /nfs/dbraw/zinc/34/54/79/352345479.db2.gz RSKMWPKWBHHSHA-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CC[N@H+](Cc1csc(Cl)n1)[C@H](C)CO ZINC000295200709 352401202 /nfs/dbraw/zinc/40/12/02/352401202.db2.gz NCVRVGYBRXORJU-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@@H+](Cc1csc(Cl)n1)[C@H](C)CO ZINC000295200709 352401206 /nfs/dbraw/zinc/40/12/06/352401206.db2.gz NCVRVGYBRXORJU-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CCC[C@H](C(=O)OCC)[NH+]1CCSCC1 ZINC000096593465 352370005 /nfs/dbraw/zinc/37/00/05/352370005.db2.gz WGMXMCRUIFQOMJ-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO Cn1cccc1C(=O)NCCNc1cccc[nH+]1 ZINC000338391138 180722558 /nfs/dbraw/zinc/72/25/58/180722558.db2.gz GMUUALGWCFYROG-UHFFFAOYSA-N 1 2 244.298 1.262 20 0 BDADLO CCCCCNC(=O)C[N@H+](C)Cc1ccccn1 ZINC000411777499 191210064 /nfs/dbraw/zinc/21/00/64/191210064.db2.gz AOMBHQZZNIIRJO-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO CCCCCNC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000411777499 191210067 /nfs/dbraw/zinc/21/00/67/191210067.db2.gz AOMBHQZZNIIRJO-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Cc1cccs1 ZINC000041528564 180745869 /nfs/dbraw/zinc/74/58/69/180745869.db2.gz OOWPUINKBACVKP-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613412215 363189201 /nfs/dbraw/zinc/18/92/01/363189201.db2.gz CHWGZAGCOBJSKA-RTXFEEFZSA-N 1 2 247.342 1.515 20 0 BDADLO COC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC000086702777 352520581 /nfs/dbraw/zinc/52/05/81/352520581.db2.gz HIEZGHDJISIDDT-SNVBAGLBSA-N 1 2 249.318 1.446 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](C2CCC2)C1 ZINC000411840796 191216163 /nfs/dbraw/zinc/21/61/63/191216163.db2.gz CXFYFJBTUGYEBN-ZDUSSCGKSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@@H](CF)C2)nn1C ZINC000411865942 191223890 /nfs/dbraw/zinc/22/38/90/191223890.db2.gz WPYUGAUBGFMVCZ-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@@H](CF)C2)nn1C ZINC000411865942 191223892 /nfs/dbraw/zinc/22/38/92/191223892.db2.gz WPYUGAUBGFMVCZ-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1F ZINC000029594454 352671963 /nfs/dbraw/zinc/67/19/63/352671963.db2.gz PJZPXIVRMVCUPM-UHFFFAOYSA-N 1 2 247.273 1.647 20 0 BDADLO CO[C@](C)([C@@H](C)[NH2+]Cc1noc(C)n1)C1CC1 ZINC000411958663 191234563 /nfs/dbraw/zinc/23/45/63/191234563.db2.gz XHQPPEYXZOBBSG-PRHODGIISA-N 1 2 239.319 1.671 20 0 BDADLO CO[C@@H](CNc1ccc(N(C)C)c[nH+]1)C1CC1 ZINC000638759480 352696757 /nfs/dbraw/zinc/69/67/57/352696757.db2.gz JVCHMFDEEQOPBD-LBPRGKRZSA-N 1 2 235.331 1.985 20 0 BDADLO COC1([C@@H](C)[NH2+]Cc2noc(C)n2)CCC1 ZINC000412019439 191237026 /nfs/dbraw/zinc/23/70/26/191237026.db2.gz IFGGIUKBWYZHKZ-MRVPVSSYSA-N 1 2 225.292 1.425 20 0 BDADLO CC[N@H+](Cc1cnnn1C)Cc1occc1C ZINC000412023167 191238350 /nfs/dbraw/zinc/23/83/50/191238350.db2.gz BNNAFGDDLYDRIU-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@@H+](Cc1cnnn1C)Cc1occc1C ZINC000412023167 191238353 /nfs/dbraw/zinc/23/83/53/191238353.db2.gz BNNAFGDDLYDRIU-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000412028583 191241198 /nfs/dbraw/zinc/24/11/98/191241198.db2.gz NEIAGNBGISKAMK-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000412028583 191241201 /nfs/dbraw/zinc/24/12/01/191241201.db2.gz NEIAGNBGISKAMK-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411949084 191231772 /nfs/dbraw/zinc/23/17/72/191231772.db2.gz NZHSYFNKOOYLPT-JOYOIKCWSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cc(C)c(CNC(=O)C(F)(F)F)c[nH+]1 ZINC000307659703 352746345 /nfs/dbraw/zinc/74/63/45/352746345.db2.gz FDFOMXCHNAMESQ-UHFFFAOYSA-N 1 2 232.205 1.877 20 0 BDADLO CCCNC(=O)C[N@H+](CC)Cc1occc1C ZINC000412035334 191246634 /nfs/dbraw/zinc/24/66/34/191246634.db2.gz FSMBOZNMVBAMKR-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO CCCNC(=O)C[N@@H+](CC)Cc1occc1C ZINC000412035334 191246637 /nfs/dbraw/zinc/24/66/37/191246637.db2.gz FSMBOZNMVBAMKR-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO Cn1ncnc1C[NH+]1CCC(C(F)F)CC1 ZINC000334218307 352819444 /nfs/dbraw/zinc/81/94/44/352819444.db2.gz XZXRVJAMZCCBPR-UHFFFAOYSA-N 1 2 230.262 1.292 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000334192342 352783489 /nfs/dbraw/zinc/78/34/89/352783489.db2.gz IAERUHXANMAHOO-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000334192342 352783492 /nfs/dbraw/zinc/78/34/92/352783492.db2.gz IAERUHXANMAHOO-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO Cc1cc(O)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000353941512 187886941 /nfs/dbraw/zinc/88/69/41/187886941.db2.gz VZRRTQONHACEAA-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cnc(C)nc2)[nH]1 ZINC000342820644 352864985 /nfs/dbraw/zinc/86/49/85/352864985.db2.gz JRSWPCSTFGKRNV-MRVPVSSYSA-N 1 2 246.318 1.316 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(OC)c2)CCO1 ZINC000342859447 352878285 /nfs/dbraw/zinc/87/82/85/352878285.db2.gz QNOONGUXHXPMNL-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)CCO1 ZINC000342859447 352878288 /nfs/dbraw/zinc/87/82/88/352878288.db2.gz QNOONGUXHXPMNL-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccnc2C)[C@@H](C)C1 ZINC000334259772 352871528 /nfs/dbraw/zinc/87/15/28/352871528.db2.gz QWWHVHWFUOLQSO-NSHDSACASA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccnc2C)[C@@H](C)C1 ZINC000334259772 352871529 /nfs/dbraw/zinc/87/15/29/352871529.db2.gz QWWHVHWFUOLQSO-NSHDSACASA-N 1 2 247.342 1.443 20 0 BDADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000120033905 187899943 /nfs/dbraw/zinc/89/99/43/187899943.db2.gz AAHJQDFJXILCPZ-NSHDSACASA-N 1 2 247.342 1.611 20 0 BDADLO Cc1c(C[N@@H+]2CCOCC23CC3)cnn1C ZINC000334228509 352845433 /nfs/dbraw/zinc/84/54/33/352845433.db2.gz OJRQYAPKCNDYQS-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1c(C[N@H+]2CCOCC23CC3)cnn1C ZINC000334228509 352845434 /nfs/dbraw/zinc/84/54/34/352845434.db2.gz OJRQYAPKCNDYQS-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO CC(C)N1CCC[C@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000334272322 352908954 /nfs/dbraw/zinc/90/89/54/352908954.db2.gz IMAOFIKTFJPUDH-LBPRGKRZSA-N 1 2 240.322 1.945 20 0 BDADLO CC(C)N1CCC[C@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000334272322 352908958 /nfs/dbraw/zinc/90/89/58/352908958.db2.gz IMAOFIKTFJPUDH-LBPRGKRZSA-N 1 2 240.322 1.945 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOCC23CCCC3)cn1 ZINC000342869182 352883690 /nfs/dbraw/zinc/88/36/90/352883690.db2.gz UQYVKUKJTGAFJO-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ncc(C[N@H+]2CCOCC23CCCC3)cn1 ZINC000342869182 352883693 /nfs/dbraw/zinc/88/36/93/352883693.db2.gz UQYVKUKJTGAFJO-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ccccc1C[NH+]1CCS(=O)CC1 ZINC000334321718 352958493 /nfs/dbraw/zinc/95/84/93/352958493.db2.gz XDENMRVOUFJEEL-UHFFFAOYSA-N 1 2 223.341 1.559 20 0 BDADLO Cc1occc1C(=O)NCc1[nH+]ccn1C ZINC000334327506 352964285 /nfs/dbraw/zinc/96/42/85/352964285.db2.gz HKMJKTUMSQONQJ-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CC(C)(CN1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC000638842398 353018524 /nfs/dbraw/zinc/01/85/24/353018524.db2.gz QYWBBLDZQZSWEF-UHFFFAOYSA-N 1 2 248.317 1.438 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc[nH]1)c1ccccn1 ZINC000037919189 187937008 /nfs/dbraw/zinc/93/70/08/187937008.db2.gz CUGJDXXWCXWWCS-MRVPVSSYSA-N 1 2 203.249 1.051 20 0 BDADLO Cc1cc(NCC[C@@H](O)C(C)C)nc(C2CC2)[nH+]1 ZINC000608088057 353061188 /nfs/dbraw/zinc/06/11/88/353061188.db2.gz OXHGWWAIKUKMOB-GFCCVEGCSA-N 1 2 249.358 1.903 20 0 BDADLO CN(Cc1ccns1)Cc1[nH+]ccn1C ZINC000638919197 353083850 /nfs/dbraw/zinc/08/38/50/353083850.db2.gz LQKOIWGQVXATHS-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO C[C@@H](CCO)Sc1[nH+]cnc2[nH]ccc21 ZINC000608093144 353122320 /nfs/dbraw/zinc/12/23/20/353122320.db2.gz YFRNRULCLYSRTL-ZETCQYMHSA-N 1 2 223.301 1.821 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1=CCCOC1 ZINC000124768162 188018576 /nfs/dbraw/zinc/01/85/76/188018576.db2.gz JQXTZJNUSIGLBE-UHFFFAOYSA-N 1 2 207.277 1.154 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000245559670 188019374 /nfs/dbraw/zinc/01/93/74/188019374.db2.gz LXNZLBMXGSJSNE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000245559670 188019376 /nfs/dbraw/zinc/01/93/76/188019376.db2.gz LXNZLBMXGSJSNE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO C/C=C(\C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000269124135 188024233 /nfs/dbraw/zinc/02/42/33/188024233.db2.gz FVWAQVVBPPUPLY-NYYWCZLTSA-N 1 2 221.304 1.698 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ccn(C)n2)CCO1 ZINC000275979343 188028753 /nfs/dbraw/zinc/02/87/53/188028753.db2.gz DPEOLZJOQHTGOD-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ccn(C)n2)CCO1 ZINC000275979343 188028755 /nfs/dbraw/zinc/02/87/55/188028755.db2.gz DPEOLZJOQHTGOD-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(F)nc1 ZINC000276574418 188029193 /nfs/dbraw/zinc/02/91/93/188029193.db2.gz NMFOMNBWDNVULU-UHFFFAOYSA-N 1 2 248.261 1.526 20 0 BDADLO CC(C)=CCNC(=O)NCCNc1cccc[nH+]1 ZINC000276737458 188029710 /nfs/dbraw/zinc/02/97/10/188029710.db2.gz VPGWMDBHWPDMGQ-UHFFFAOYSA-N 1 2 248.330 1.759 20 0 BDADLO COc1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)nc1 ZINC000278436687 188030400 /nfs/dbraw/zinc/03/04/00/188030400.db2.gz DXRVGLOUMQAJBA-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CC(C)(O)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000280061718 188031862 /nfs/dbraw/zinc/03/18/62/188031862.db2.gz UNTTXBQUTGQGBG-UHFFFAOYSA-N 1 2 247.298 1.112 20 0 BDADLO CC(=O)CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000282042185 188032679 /nfs/dbraw/zinc/03/26/79/188032679.db2.gz GAPCXZYQRKCBAU-LLVKDONJSA-N 1 2 249.314 1.833 20 0 BDADLO Cc1coc(C)c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000284610471 188033076 /nfs/dbraw/zinc/03/30/76/188033076.db2.gz UWESVYCBHOKXIN-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CC(C)[C@H](NC(=O)c1cocn1)c1[nH]cc[nH+]1 ZINC000283146861 188033116 /nfs/dbraw/zinc/03/31/16/188033116.db2.gz YGMRSMJPSAOJJK-VIFPVBQESA-N 1 2 234.259 1.525 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H](C)CO ZINC000287425307 188035207 /nfs/dbraw/zinc/03/52/07/188035207.db2.gz GENAFVQSMMMTRG-SECBINFHSA-N 1 2 237.303 1.543 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCCO ZINC000287555484 188035349 /nfs/dbraw/zinc/03/53/49/188035349.db2.gz PDQBLFCBXUXTPM-UHFFFAOYSA-N 1 2 237.303 1.545 20 0 BDADLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290897034 188035723 /nfs/dbraw/zinc/03/57/23/188035723.db2.gz GSTSWYLHAYYNIB-UHFFFAOYSA-N 1 2 241.294 1.848 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(C)c(C)c2)C1 ZINC000291517942 188037061 /nfs/dbraw/zinc/03/70/61/188037061.db2.gz YNFVENDRJJQFQM-UHFFFAOYSA-N 1 2 232.327 1.624 20 0 BDADLO CC(=O)C1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000293506823 188037397 /nfs/dbraw/zinc/03/73/97/188037397.db2.gz VDVZWUYGQJTGHG-UHFFFAOYSA-N 1 2 218.256 1.698 20 0 BDADLO CC(C)[N@H+](Cc1cncs1)C1COC1 ZINC000296042205 188039194 /nfs/dbraw/zinc/03/91/94/188039194.db2.gz OBIPVYYPZJPPJB-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO CC(C)[N@@H+](Cc1cncs1)C1COC1 ZINC000296042205 188039196 /nfs/dbraw/zinc/03/91/96/188039196.db2.gz OBIPVYYPZJPPJB-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO CC(C)[N@H+](Cc1cnn(C)c1)C1COC1 ZINC000296168908 188040139 /nfs/dbraw/zinc/04/01/39/188040139.db2.gz XAHSOJMRNCNNAX-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)[N@@H+](Cc1cnn(C)c1)C1COC1 ZINC000296168908 188040141 /nfs/dbraw/zinc/04/01/41/188040141.db2.gz XAHSOJMRNCNNAX-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CC(C(C)(C)O)C1 ZINC000297498348 188040479 /nfs/dbraw/zinc/04/04/79/188040479.db2.gz VXFCPFBDKOORSK-UHFFFAOYSA-N 1 2 243.738 1.276 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000193653246 188004255 /nfs/dbraw/zinc/00/42/55/188004255.db2.gz YSKNKVRXNFZYJJ-SNVBAGLBSA-N 1 2 207.277 1.204 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000193653246 188004256 /nfs/dbraw/zinc/00/42/56/188004256.db2.gz YSKNKVRXNFZYJJ-SNVBAGLBSA-N 1 2 207.277 1.204 20 0 BDADLO CC(=O)[C@](C)(O)C[N@H+](C)Cc1csc(C)n1 ZINC000331347640 188046931 /nfs/dbraw/zinc/04/69/31/188046931.db2.gz WTHMXIHYOSWULL-LLVKDONJSA-N 1 2 242.344 1.223 20 0 BDADLO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1csc(C)n1 ZINC000331347640 188046932 /nfs/dbraw/zinc/04/69/32/188046932.db2.gz WTHMXIHYOSWULL-LLVKDONJSA-N 1 2 242.344 1.223 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000184777809 188050454 /nfs/dbraw/zinc/05/04/54/188050454.db2.gz RLJBCSNMQLNWBD-JTQLQIEISA-N 1 2 223.320 1.751 20 0 BDADLO CC(C)=CC[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000332342947 188053130 /nfs/dbraw/zinc/05/31/30/188053130.db2.gz FOZRGXAJFAZSKJ-WDEREUQCSA-N 1 2 237.303 1.452 20 0 BDADLO CC(C)=CC[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000332342947 188053132 /nfs/dbraw/zinc/05/31/32/188053132.db2.gz FOZRGXAJFAZSKJ-WDEREUQCSA-N 1 2 237.303 1.452 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)[C@H]1CCOC1 ZINC000352416678 188055281 /nfs/dbraw/zinc/05/52/81/188055281.db2.gz IJAQXPIUKWYSFW-NSHDSACASA-N 1 2 238.335 1.155 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000352416678 188055283 /nfs/dbraw/zinc/05/52/83/188055283.db2.gz IJAQXPIUKWYSFW-NSHDSACASA-N 1 2 238.335 1.155 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000134552620 538113239 /nfs/dbraw/zinc/11/32/39/538113239.db2.gz QJQYNTFUOJXEGB-KOLCDFICSA-N 1 2 223.320 1.938 20 0 BDADLO COc1ccc(NCc2ccn(C)n2)[nH+]c1 ZINC000225894035 538114533 /nfs/dbraw/zinc/11/45/33/538114533.db2.gz GRGWLXXCFNQPIJ-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)no1 ZINC000252698193 353303858 /nfs/dbraw/zinc/30/38/58/353303858.db2.gz LPCDHRMTKKLDJH-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]2C[C@H](C)O)no1 ZINC000252698193 353303859 /nfs/dbraw/zinc/30/38/59/353303859.db2.gz LPCDHRMTKKLDJH-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CC(C)c1nc(N(C)[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000343286086 353355199 /nfs/dbraw/zinc/35/51/99/353355199.db2.gz METLEZUWTUHSBV-GHMZBOCLSA-N 1 2 235.331 1.950 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)[C@H]1CC1(F)F ZINC000639054469 353352997 /nfs/dbraw/zinc/35/29/97/353352997.db2.gz TWZYLESZQFXGFJ-NTSWFWBYSA-N 1 2 215.190 1.247 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)[C@@H]1CC1(F)F ZINC000639054484 353353268 /nfs/dbraw/zinc/35/32/68/353353268.db2.gz TWZYLESZQFXGFJ-WDSKDSINSA-N 1 2 215.190 1.247 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CCC[C@@H]1O ZINC000343290409 353370276 /nfs/dbraw/zinc/37/02/76/353370276.db2.gz RMHVEBYKQNBVNG-MNOVXSKESA-N 1 2 233.315 1.704 20 0 BDADLO CCC[C@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083972 353424116 /nfs/dbraw/zinc/42/41/16/353424116.db2.gz HTQIZODZFPSSRK-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083972 353424119 /nfs/dbraw/zinc/42/41/19/353424119.db2.gz HTQIZODZFPSSRK-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000398388763 363229248 /nfs/dbraw/zinc/22/92/48/363229248.db2.gz WGGBPADEVQETTL-GHMZBOCLSA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000398388763 363229251 /nfs/dbraw/zinc/22/92/51/363229251.db2.gz WGGBPADEVQETTL-GHMZBOCLSA-N 1 2 220.320 1.863 20 0 BDADLO CO[C@](C)(C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000639094806 353478920 /nfs/dbraw/zinc/47/89/20/353478920.db2.gz IMOKBVKVLNCCTM-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@](C)(C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000639094806 353478922 /nfs/dbraw/zinc/47/89/22/353478922.db2.gz IMOKBVKVLNCCTM-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO O=S(=O)(Cc1ccccc1)Nc1c[nH+]c[nH]1 ZINC000563790287 353517589 /nfs/dbraw/zinc/51/75/89/353517589.db2.gz JIBRSZIEYWELTH-UHFFFAOYSA-N 1 2 237.284 1.352 20 0 BDADLO Cc1ncc(C[N@@H+](CC(N)=O)C(C)C)s1 ZINC000193478572 353594635 /nfs/dbraw/zinc/59/46/35/353594635.db2.gz XMFZWZNQKCLJNS-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO Cc1ncc(C[N@H+](CC(N)=O)C(C)C)s1 ZINC000193478572 353594638 /nfs/dbraw/zinc/59/46/38/353594638.db2.gz XMFZWZNQKCLJNS-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO CC(C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577876050 366094520 /nfs/dbraw/zinc/09/45/20/366094520.db2.gz KZKYJLFBFMLVLM-SNVBAGLBSA-N 1 2 209.293 1.701 20 0 BDADLO CO[C@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000231682738 353643764 /nfs/dbraw/zinc/64/37/64/353643764.db2.gz QZYCIKYHWIRCMV-IUCAKERBSA-N 1 2 247.302 1.343 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](CC2CC2)C1 ZINC000577909565 366100405 /nfs/dbraw/zinc/10/04/05/366100405.db2.gz UBGLCRPPXXNRDA-GFCCVEGCSA-N 1 2 233.315 1.532 20 0 BDADLO CC(C)n1cc[nH+]c1CSc1nnnn1C ZINC000195516758 353765705 /nfs/dbraw/zinc/76/57/05/353765705.db2.gz USYJHBLYRWDOJK-UHFFFAOYSA-N 1 2 238.320 1.280 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)CS1 ZINC000639125995 353827720 /nfs/dbraw/zinc/82/77/20/353827720.db2.gz ACTZPXNGNUHNKP-CBAPKCEASA-N 1 2 239.344 1.931 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cc2ccccc2o1 ZINC000037989071 358480908 /nfs/dbraw/zinc/48/09/08/358480908.db2.gz SGRZZPDTUMEIPV-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Fc1cncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000275101183 181019771 /nfs/dbraw/zinc/01/97/71/181019771.db2.gz CJTYZKSMDQLZHJ-OLZOCXBDSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000275101183 181019773 /nfs/dbraw/zinc/01/97/73/181019773.db2.gz CJTYZKSMDQLZHJ-OLZOCXBDSA-N 1 2 236.290 1.974 20 0 BDADLO OCc1ccc(NCCC2CCOCC2)[nH+]c1 ZINC000639133157 353842822 /nfs/dbraw/zinc/84/28/22/353842822.db2.gz ZQTGEPLGHBTWGO-UHFFFAOYSA-N 1 2 236.315 1.224 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@](F)(CO)C2)s1 ZINC000639144914 353851033 /nfs/dbraw/zinc/85/10/33/353851033.db2.gz HSKQSMDGPMYIHF-SNVBAGLBSA-N 1 2 246.307 1.058 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@](F)(CO)C2)s1 ZINC000639144914 353851035 /nfs/dbraw/zinc/85/10/35/353851035.db2.gz HSKQSMDGPMYIHF-SNVBAGLBSA-N 1 2 246.307 1.058 20 0 BDADLO CC[C@@]1(C)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000074156649 353929591 /nfs/dbraw/zinc/92/95/91/353929591.db2.gz WWGGLIDLHRYSLA-ZDUSSCGKSA-N 1 2 235.331 1.922 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]1C(F)F ZINC000343750178 353971937 /nfs/dbraw/zinc/97/19/37/353971937.db2.gz ATJKOCKLPBKLHR-CAHLUQPWSA-N 1 2 239.229 1.429 20 0 BDADLO C[N@H+](Cc1nnc2n1CCCC2)[C@@H]1CC1(C)C ZINC000334552222 353993304 /nfs/dbraw/zinc/99/33/04/353993304.db2.gz ZTHXLAPWMSZPFS-SNVBAGLBSA-N 1 2 234.347 1.845 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCCC2)[C@@H]1CC1(C)C ZINC000334552222 353993308 /nfs/dbraw/zinc/99/33/08/353993308.db2.gz ZTHXLAPWMSZPFS-SNVBAGLBSA-N 1 2 234.347 1.845 20 0 BDADLO C[N@H+](Cc1nnc2n1CCCC2)[C@H]1CC1(C)C ZINC000334552215 353993577 /nfs/dbraw/zinc/99/35/77/353993577.db2.gz ZTHXLAPWMSZPFS-JTQLQIEISA-N 1 2 234.347 1.845 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCCC2)[C@H]1CC1(C)C ZINC000334552215 353993579 /nfs/dbraw/zinc/99/35/79/353993579.db2.gz ZTHXLAPWMSZPFS-JTQLQIEISA-N 1 2 234.347 1.845 20 0 BDADLO CO[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC000343793714 353998599 /nfs/dbraw/zinc/99/85/99/353998599.db2.gz UWXWBQLHDQTNEO-MRVPVSSYSA-N 1 2 223.320 1.873 20 0 BDADLO CC(C)[C@H](CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000343798896 354002792 /nfs/dbraw/zinc/00/27/92/354002792.db2.gz YTIGREIMDDPSMB-NSHDSACASA-N 1 2 235.331 1.452 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](C)[C@@H]1C ZINC000178583746 366143191 /nfs/dbraw/zinc/14/31/91/366143191.db2.gz XIDHBYUMLBOPEZ-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cccc(CO)c1 ZINC000038003657 358482196 /nfs/dbraw/zinc/48/21/96/358482196.db2.gz RYFDDOGHDVMLEL-UHFFFAOYSA-N 1 2 245.282 1.404 20 0 BDADLO CC(=O)N1CC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC000165903562 354015013 /nfs/dbraw/zinc/01/50/13/354015013.db2.gz ZCBQKHHCDYUNQM-LBPRGKRZSA-N 1 2 248.330 1.090 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CCSC2)[nH]1 ZINC000334550390 354018622 /nfs/dbraw/zinc/01/86/22/354018622.db2.gz ZASJCLKHOXNSIK-QMMMGPOBSA-N 1 2 212.322 1.050 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CCSC2)[nH]1 ZINC000334550390 354018625 /nfs/dbraw/zinc/01/86/25/354018625.db2.gz ZASJCLKHOXNSIK-QMMMGPOBSA-N 1 2 212.322 1.050 20 0 BDADLO C[C@H](C(=O)N1[C@@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000343910330 354038682 /nfs/dbraw/zinc/03/86/82/354038682.db2.gz CTHQKZJYUZUVSD-SDDRHHMPSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000343979939 354057449 /nfs/dbraw/zinc/05/74/49/354057449.db2.gz GUTNEAROTDWSLF-DTWKUNHWSA-N 1 2 207.277 1.257 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccncn1 ZINC000344059429 354128239 /nfs/dbraw/zinc/12/82/39/354128239.db2.gz YJVLUAMSDPIIDG-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056799 354126656 /nfs/dbraw/zinc/12/66/56/354126656.db2.gz KFCAWBVYXRNAHB-ZJUUUORDSA-N 1 2 238.335 1.736 20 0 BDADLO CC[C@@H](C)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056799 354126660 /nfs/dbraw/zinc/12/66/60/354126660.db2.gz KFCAWBVYXRNAHB-ZJUUUORDSA-N 1 2 238.335 1.736 20 0 BDADLO CC(C)[C@H]([NH2+]CC(F)(F)CO)c1cccnc1 ZINC000344123380 354145316 /nfs/dbraw/zinc/14/53/16/354145316.db2.gz ZDERBIVTFHAVHA-NSHDSACASA-N 1 2 244.285 1.996 20 0 BDADLO CCC[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000230905229 363328840 /nfs/dbraw/zinc/32/88/40/363328840.db2.gz VKPPAANKNQLNHQ-NSHDSACASA-N 1 2 209.293 1.748 20 0 BDADLO C[N@H+](CCc1ccccc1O)Cc1ncc[nH]1 ZINC000344197715 354161791 /nfs/dbraw/zinc/16/17/91/354161791.db2.gz MURITJCCRICWQI-UHFFFAOYSA-N 1 2 231.299 1.790 20 0 BDADLO C[N@@H+](CCc1ccccc1O)Cc1ncc[nH]1 ZINC000344197715 354161793 /nfs/dbraw/zinc/16/17/93/354161793.db2.gz MURITJCCRICWQI-UHFFFAOYSA-N 1 2 231.299 1.790 20 0 BDADLO CO[C@@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000231684485 363348729 /nfs/dbraw/zinc/34/87/29/363348729.db2.gz BSWLWUJSBITYCL-NXEZZACHSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(NCCOCC(F)F)cc[nH+]1 ZINC000231679173 363348956 /nfs/dbraw/zinc/34/89/56/363348956.db2.gz YUJQWRVLZSNGMN-UHFFFAOYSA-N 1 2 217.219 1.479 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)n(C)n1 ZINC000334604651 354285357 /nfs/dbraw/zinc/28/53/57/354285357.db2.gz XUBQICZBUPNVJJ-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)n(C)n1 ZINC000334604651 354285359 /nfs/dbraw/zinc/28/53/59/354285359.db2.gz XUBQICZBUPNVJJ-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)n(C)n1 ZINC000334604648 354285396 /nfs/dbraw/zinc/28/53/96/354285396.db2.gz XUBQICZBUPNVJJ-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)n(C)n1 ZINC000334604648 354285397 /nfs/dbraw/zinc/28/53/97/354285397.db2.gz XUBQICZBUPNVJJ-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)n(C)n1 ZINC000334611210 354294357 /nfs/dbraw/zinc/29/43/57/354294357.db2.gz NZHHWNIPUUYRAI-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)n(C)n1 ZINC000334611210 354294361 /nfs/dbraw/zinc/29/43/61/354294361.db2.gz NZHHWNIPUUYRAI-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO CCc1cnccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000344758107 354351256 /nfs/dbraw/zinc/35/12/56/354351256.db2.gz ZCHXOSZHVBVZKE-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccon1 ZINC000086453778 491061675 /nfs/dbraw/zinc/06/16/75/491061675.db2.gz LPPXGDQSSNVOJQ-BDAKNGLRSA-N 1 2 225.292 1.067 20 0 BDADLO C[NH+]1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 ZINC000334687683 354434285 /nfs/dbraw/zinc/43/42/85/354434285.db2.gz PZRVIEMEKPKXAG-UHFFFAOYSA-N 1 2 249.339 1.617 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cn2)[C@@H]1C ZINC000344977875 354404897 /nfs/dbraw/zinc/40/48/97/354404897.db2.gz DZCZPDLBWMBRKA-NXEZZACHSA-N 1 2 235.287 1.173 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C)n1 ZINC000334672862 354415766 /nfs/dbraw/zinc/41/57/66/354415766.db2.gz RIMIFECACOEKJJ-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)n1 ZINC000334672862 354415771 /nfs/dbraw/zinc/41/57/71/354415771.db2.gz RIMIFECACOEKJJ-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC(=O)N1CC[N@H+](CCC(F)(F)F)[C@@H](C)C1 ZINC000334693500 354484015 /nfs/dbraw/zinc/48/40/15/354484015.db2.gz OKTRLWKTOWOLQL-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)[C@@H](C)C1 ZINC000334693500 354484018 /nfs/dbraw/zinc/48/40/18/354484018.db2.gz OKTRLWKTOWOLQL-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000334727586 354527921 /nfs/dbraw/zinc/52/79/21/354527921.db2.gz LOMONYYZDCMUKI-NXEZZACHSA-N 1 2 204.273 1.797 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)C1CC1 ZINC000334697030 354488406 /nfs/dbraw/zinc/48/84/06/354488406.db2.gz SDKNGBSWPGODHR-UHFFFAOYSA-N 1 2 205.261 1.568 20 0 BDADLO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000334697472 354489267 /nfs/dbraw/zinc/48/92/67/354489267.db2.gz CTEZMYJKQHJHKE-GFCCVEGCSA-N 1 2 236.290 1.590 20 0 BDADLO CNC(=O)c1cccc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000334697472 354489268 /nfs/dbraw/zinc/48/92/68/354489268.db2.gz CTEZMYJKQHJHKE-GFCCVEGCSA-N 1 2 236.290 1.590 20 0 BDADLO C[C@H](CC(=O)N1C[C@@H](F)[C@@H](F)C1)n1cc[nH+]c1 ZINC000578076743 366223575 /nfs/dbraw/zinc/22/35/75/366223575.db2.gz WUXDSFLLSAAXJS-BBBLOLIVSA-N 1 2 243.257 1.353 20 0 BDADLO Cc1cc(C)c(NC(=O)N[C@H]2C[C@@H](O)C2)c(C)[nH+]1 ZINC000334705450 354499251 /nfs/dbraw/zinc/49/92/51/354499251.db2.gz LXPRVJHBFJFASB-PHIMTYICSA-N 1 2 249.314 1.652 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1ccn(C)n1 ZINC000334722962 354522896 /nfs/dbraw/zinc/52/28/96/354522896.db2.gz AOLGHGUPQFNVGE-VIFPVBQESA-N 1 2 202.261 1.988 20 0 BDADLO C[C@H]1COCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000334797704 354552439 /nfs/dbraw/zinc/55/24/39/354552439.db2.gz KZGQBUWOTYYQIB-VIFPVBQESA-N 1 2 249.289 1.938 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000334808614 354565540 /nfs/dbraw/zinc/56/55/40/354565540.db2.gz GRMNSBMSZJYYJM-ZJUUUORDSA-N 1 2 214.284 1.040 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000334808614 354565544 /nfs/dbraw/zinc/56/55/44/354565544.db2.gz GRMNSBMSZJYYJM-ZJUUUORDSA-N 1 2 214.284 1.040 20 0 BDADLO O=C1[C@@H](Nc2cccc[nH+]2)C[C@H]2CCCCN12 ZINC000334813768 354571555 /nfs/dbraw/zinc/57/15/55/354571555.db2.gz WTWGFDFZNQWYEZ-MNOVXSKESA-N 1 2 231.299 1.647 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334814621 354572040 /nfs/dbraw/zinc/57/20/40/354572040.db2.gz AADCZBSUUMIHJI-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334814621 354572043 /nfs/dbraw/zinc/57/20/43/354572043.db2.gz AADCZBSUUMIHJI-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO c1coc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000334756220 354578615 /nfs/dbraw/zinc/57/86/15/354578615.db2.gz RDOLZXRVHYQKKP-OLZOCXBDSA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000334756220 354578618 /nfs/dbraw/zinc/57/86/18/354578618.db2.gz RDOLZXRVHYQKKP-OLZOCXBDSA-N 1 2 237.299 1.659 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCn1cc(Cl)cn1 ZINC000334796063 354550003 /nfs/dbraw/zinc/55/00/03/354550003.db2.gz XMBCPTVLWFTPHW-ZJUUUORDSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCn1cc(Cl)cn1 ZINC000334796063 354550007 /nfs/dbraw/zinc/55/00/07/354550007.db2.gz XMBCPTVLWFTPHW-ZJUUUORDSA-N 1 2 243.738 1.646 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334796929 354551085 /nfs/dbraw/zinc/55/10/85/354551085.db2.gz SYHCKAIHPDAQJZ-SECBINFHSA-N 1 2 224.308 1.234 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334796929 354551089 /nfs/dbraw/zinc/55/10/89/354551089.db2.gz SYHCKAIHPDAQJZ-SECBINFHSA-N 1 2 224.308 1.234 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000334796929 354551094 /nfs/dbraw/zinc/55/10/94/354551094.db2.gz SYHCKAIHPDAQJZ-SECBINFHSA-N 1 2 224.308 1.234 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000334796929 354551096 /nfs/dbraw/zinc/55/10/96/354551096.db2.gz SYHCKAIHPDAQJZ-SECBINFHSA-N 1 2 224.308 1.234 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@](C)(F)C2)o1 ZINC000335095533 354634414 /nfs/dbraw/zinc/63/44/14/354634414.db2.gz YOHHGJCQWKOVKG-GMSGAONNSA-N 1 2 213.256 1.873 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@](C)(F)C2)o1 ZINC000335095533 354634418 /nfs/dbraw/zinc/63/44/18/354634418.db2.gz YOHHGJCQWKOVKG-GMSGAONNSA-N 1 2 213.256 1.873 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335097454 354637245 /nfs/dbraw/zinc/63/72/45/354637245.db2.gz JYTXMTMCVVQTAJ-ZCFIWIBFSA-N 1 2 217.219 1.992 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000335097454 354637248 /nfs/dbraw/zinc/63/72/48/354637248.db2.gz JYTXMTMCVVQTAJ-ZCFIWIBFSA-N 1 2 217.219 1.992 20 0 BDADLO CC(C)CC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345504942 354682639 /nfs/dbraw/zinc/68/26/39/354682639.db2.gz GQCYPFNIJGXCAG-ZJUUUORDSA-N 1 2 248.317 1.925 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345687970 354732306 /nfs/dbraw/zinc/73/23/06/354732306.db2.gz HVQAIWPGQKCPSQ-IUCAKERBSA-N 1 2 234.290 1.488 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCOC[C@@H]1C ZINC000335100316 354709257 /nfs/dbraw/zinc/70/92/57/354709257.db2.gz ODIBKRJUAHFLMD-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)(C(=O)NCc1cccnc1)c1c[nH]c[nH+]1 ZINC000345641373 354721672 /nfs/dbraw/zinc/72/16/72/354721672.db2.gz OYPLTTAKKDSMAT-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CC[C@@H]1CCCO1 ZINC000345730174 354746816 /nfs/dbraw/zinc/74/68/16/354746816.db2.gz YXNGDXPTVJUEOH-ZBEGNZNMSA-N 1 2 242.344 1.238 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC1(C)CC1 ZINC000345938660 354814332 /nfs/dbraw/zinc/81/43/32/354814332.db2.gz PVZGMGKPSDFFKL-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC1(C)CC1 ZINC000345938660 354814333 /nfs/dbraw/zinc/81/43/33/354814333.db2.gz PVZGMGKPSDFFKL-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)c1nnc(C[NH2+]Cc2ccns2)[nH]1 ZINC000639219767 354874817 /nfs/dbraw/zinc/87/48/17/354874817.db2.gz PPBVDUJRVLTUMC-UHFFFAOYSA-N 1 2 237.332 1.674 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000233699937 363406242 /nfs/dbraw/zinc/40/62/42/363406242.db2.gz RCHKRLUBZJXFFA-IQJOONFLSA-N 1 2 215.293 1.095 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000233698458 363406308 /nfs/dbraw/zinc/40/63/08/363406308.db2.gz RCHKRLUBZJXFFA-NGZCFLSTSA-N 1 2 215.293 1.095 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)OC ZINC000233984265 363412184 /nfs/dbraw/zinc/41/21/84/363412184.db2.gz OMDFPIDDQDNFJL-DTWKUNHWSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)sn1 ZINC000639220841 354885142 /nfs/dbraw/zinc/88/51/42/354885142.db2.gz GRBQLTDPLCBXEX-UHFFFAOYSA-N 1 2 249.343 1.737 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000335160518 354911928 /nfs/dbraw/zinc/91/19/28/354911928.db2.gz UIJXGLOGHOTACR-NSHDSACASA-N 1 2 236.702 1.544 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000335160518 354911929 /nfs/dbraw/zinc/91/19/29/354911929.db2.gz UIJXGLOGHOTACR-NSHDSACASA-N 1 2 236.702 1.544 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1Cc2cccc(F)c2C1 ZINC000335169451 354931698 /nfs/dbraw/zinc/93/16/98/354931698.db2.gz QJEZGAFYBWQGAQ-LLVKDONJSA-N 1 2 220.247 1.030 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1Cc2cccc(F)c2C1 ZINC000335169451 354931700 /nfs/dbraw/zinc/93/17/00/354931700.db2.gz QJEZGAFYBWQGAQ-LLVKDONJSA-N 1 2 220.247 1.030 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000335179800 354953755 /nfs/dbraw/zinc/95/37/55/354953755.db2.gz WGFRCVQKNRRQKA-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000335179800 354953757 /nfs/dbraw/zinc/95/37/57/354953757.db2.gz WGFRCVQKNRRQKA-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO CCCCO[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346567496 354971080 /nfs/dbraw/zinc/97/10/80/354971080.db2.gz QLWANVMQMHYWTA-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cnccn1 ZINC000346525956 354976691 /nfs/dbraw/zinc/97/66/91/354976691.db2.gz MVQIOCJQAZBAJL-WDEREUQCSA-N 1 2 247.298 1.844 20 0 BDADLO CC(C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000346610213 354992620 /nfs/dbraw/zinc/99/26/20/354992620.db2.gz MWHNCFSOUCTSAE-UHFFFAOYSA-N 1 2 204.229 1.900 20 0 BDADLO Cc1noc(OCc2c[nH+]c3ccccn23)n1 ZINC000346612332 354993282 /nfs/dbraw/zinc/99/32/82/354993282.db2.gz VLSDCSZWQVODSR-UHFFFAOYSA-N 1 2 230.227 1.605 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)[nH]1 ZINC000335209265 355046158 /nfs/dbraw/zinc/04/61/58/355046158.db2.gz BFPRPUXXMPMNHH-YUMQZZPRSA-N 1 2 226.349 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)[nH]1 ZINC000335209265 355046161 /nfs/dbraw/zinc/04/61/61/355046161.db2.gz BFPRPUXXMPMNHH-YUMQZZPRSA-N 1 2 226.349 1.439 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cccnc1 ZINC000346805949 355110357 /nfs/dbraw/zinc/11/03/57/355110357.db2.gz IGANOHDRKJIZTD-UHFFFAOYSA-N 1 2 243.266 1.666 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12CC[C@H](C)C2 ZINC000335246696 355161616 /nfs/dbraw/zinc/16/16/16/355161616.db2.gz OTGCBRLRPRBNCC-JQWIXIFHSA-N 1 2 210.321 1.591 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@@]12CC[C@H](C)C2 ZINC000335246696 355161622 /nfs/dbraw/zinc/16/16/22/355161622.db2.gz OTGCBRLRPRBNCC-JQWIXIFHSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+](CCOC1CCC1)CC(=O)OC ZINC000346837781 355132274 /nfs/dbraw/zinc/13/22/74/355132274.db2.gz ZZECWPDFSZAVNQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CC[N@@H+](CCOC1CCC1)CC(=O)OC ZINC000346837781 355132279 /nfs/dbraw/zinc/13/22/79/355132279.db2.gz ZZECWPDFSZAVNQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000346849127 355136533 /nfs/dbraw/zinc/13/65/33/355136533.db2.gz VVQAKTCGLYBVBP-VIFPVBQESA-N 1 2 222.288 1.423 20 0 BDADLO COC(=O)C1([NH2+]CCOC2CCC2)CCCC1 ZINC000346957774 355168644 /nfs/dbraw/zinc/16/86/44/355168644.db2.gz AQKNAZLJSIRNMH-UHFFFAOYSA-N 1 2 241.331 1.631 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@]2(C)C[C@@H]2F)n1 ZINC000335250631 355170512 /nfs/dbraw/zinc/17/05/12/355170512.db2.gz QUVLIOKTARYQKJ-KWQFWETISA-N 1 2 236.250 1.393 20 0 BDADLO CC(C)OCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000346968416 355174329 /nfs/dbraw/zinc/17/43/29/355174329.db2.gz VNMNYKMMHROHEB-ZETOZRRWSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)OCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000346968416 355174333 /nfs/dbraw/zinc/17/43/33/355174333.db2.gz VNMNYKMMHROHEB-ZETOZRRWSA-N 1 2 233.377 1.253 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000335258749 355198048 /nfs/dbraw/zinc/19/80/48/355198048.db2.gz BUWCSUKDNQOOHO-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000335258749 355198053 /nfs/dbraw/zinc/19/80/53/355198053.db2.gz BUWCSUKDNQOOHO-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO COCCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413080131 191355862 /nfs/dbraw/zinc/35/58/62/191355862.db2.gz DCVNZTTUUYJJQD-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO COCCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413080131 191355865 /nfs/dbraw/zinc/35/58/65/191355865.db2.gz DCVNZTTUUYJJQD-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CN(CC(C)(C)O)c1cc(NC2CC2)[nH+]cn1 ZINC000413141929 191359460 /nfs/dbraw/zinc/35/94/60/191359460.db2.gz MWQXEBTUDFQSBZ-UHFFFAOYSA-N 1 2 236.319 1.258 20 0 BDADLO CN(CC(C)(C)O)c1cc(NC2CC2)nc[nH+]1 ZINC000413141929 191359462 /nfs/dbraw/zinc/35/94/62/191359462.db2.gz MWQXEBTUDFQSBZ-UHFFFAOYSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](CCO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413171396 191360705 /nfs/dbraw/zinc/36/07/05/191360705.db2.gz OPDIOALQZTVKDB-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO C[C@@H](CCO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413171396 191360708 /nfs/dbraw/zinc/36/07/08/191360708.db2.gz OPDIOALQZTVKDB-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO CCOCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413023193 191343996 /nfs/dbraw/zinc/34/39/96/191343996.db2.gz INKNKIVYRLJXJX-UHFFFAOYSA-N 1 2 236.319 1.889 20 0 BDADLO CCOCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413023193 191343998 /nfs/dbraw/zinc/34/39/98/191343998.db2.gz INKNKIVYRLJXJX-UHFFFAOYSA-N 1 2 236.319 1.889 20 0 BDADLO CC(C)c1nccnc1N(C)Cc1[nH+]ccn1C ZINC000413035660 191353081 /nfs/dbraw/zinc/35/30/81/191353081.db2.gz PBAQXNIFBQKUPJ-UHFFFAOYSA-N 1 2 245.330 1.970 20 0 BDADLO CO[C@@H](C)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413108169 191354110 /nfs/dbraw/zinc/35/41/10/191354110.db2.gz DJFDJOLDBSTQAZ-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO CO[C@@H](C)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413108169 191354113 /nfs/dbraw/zinc/35/41/13/191354113.db2.gz DJFDJOLDBSTQAZ-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[C@H]1CS2 ZINC000413446297 191384377 /nfs/dbraw/zinc/38/43/77/191384377.db2.gz DRHHJTLVYXBHDT-YUMQZZPRSA-N 1 2 247.327 1.057 20 0 BDADLO COCC[C@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000413487490 191387404 /nfs/dbraw/zinc/38/74/04/191387404.db2.gz CLDHYOMBVOWNMC-VIFPVBQESA-N 1 2 248.330 1.773 20 0 BDADLO Cc1nc(N2CCCO[C@@H](CF)C2)cc[nH+]1 ZINC000413483169 191387847 /nfs/dbraw/zinc/38/78/47/191387847.db2.gz PPQHRPWTAMJAIM-JTQLQIEISA-N 1 2 225.267 1.350 20 0 BDADLO CC(C)n1cc(C[N@H+](C)C[C@@H]2CCCO2)nn1 ZINC000347683326 355267751 /nfs/dbraw/zinc/26/77/51/355267751.db2.gz ZKLYPAUGHXRTDJ-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)C[C@@H]2CCCO2)nn1 ZINC000347683326 355267756 /nfs/dbraw/zinc/26/77/56/355267756.db2.gz ZKLYPAUGHXRTDJ-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)cc[nH+]1 ZINC000413531576 191392668 /nfs/dbraw/zinc/39/26/68/191392668.db2.gz LYOXCKNRJRRGCC-KKZNHRDASA-N 1 2 221.304 1.432 20 0 BDADLO Cc1cc(N2CCC[C@@H](CO)[C@H]2C)nc[nH+]1 ZINC000413587373 191398109 /nfs/dbraw/zinc/39/81/09/191398109.db2.gz FLPWPDMRMHPNNO-MNOVXSKESA-N 1 2 221.304 1.382 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCCc3cn[nH]c32)o1 ZINC000623221134 355274277 /nfs/dbraw/zinc/27/42/77/355274277.db2.gz IICCIWGGHLVEDG-LLVKDONJSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCCc3c[nH]nc32)o1 ZINC000623221134 355274278 /nfs/dbraw/zinc/27/42/78/355274278.db2.gz IICCIWGGHLVEDG-LLVKDONJSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1cccc(C)c1CC(=O)NCc1[nH]cc[nH+]1 ZINC000347596143 355251198 /nfs/dbraw/zinc/25/11/98/355251198.db2.gz OTNHXOSRNTYJOL-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413233237 191364614 /nfs/dbraw/zinc/36/46/14/191364614.db2.gz PRGNPHOCKPGNCK-OTDNITJGSA-N 1 2 248.330 1.790 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413233237 191364617 /nfs/dbraw/zinc/36/46/17/191364617.db2.gz PRGNPHOCKPGNCK-OTDNITJGSA-N 1 2 248.330 1.790 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccn(C)n2)cc[nH+]1 ZINC000413458060 191381474 /nfs/dbraw/zinc/38/14/74/191381474.db2.gz LWYWGHJHFAYUBQ-QMMMGPOBSA-N 1 2 217.276 1.114 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)C(=O)Nc1ccccc1 ZINC000191097930 355310264 /nfs/dbraw/zinc/31/02/64/355310264.db2.gz OBQNJJXHXFPAAJ-JTQLQIEISA-N 1 2 245.282 1.791 20 0 BDADLO Cc1ccnc(SC[C@H]2C[N@H+](C)CCO2)n1 ZINC000583496925 355326134 /nfs/dbraw/zinc/32/61/34/355326134.db2.gz ORUZIXMNPAMNIL-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1ccnc(SC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000583496925 355326136 /nfs/dbraw/zinc/32/61/36/355326136.db2.gz ORUZIXMNPAMNIL-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)o1 ZINC000639247743 355276365 /nfs/dbraw/zinc/27/63/65/355276365.db2.gz YLMJYELQRVMWQG-GHMZBOCLSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nc(N(C[C@H]2CCC(=O)N2)C(C)C)cc[nH+]1 ZINC000413597881 191399475 /nfs/dbraw/zinc/39/94/75/191399475.db2.gz VELYRUOQUNIDHG-LLVKDONJSA-N 1 2 248.330 1.278 20 0 BDADLO CCOC1C[NH+](Cc2c3c(nn2C)CCCC3)C1 ZINC000639250642 355280978 /nfs/dbraw/zinc/28/09/78/355280978.db2.gz VTEUVKXZUCHAFN-UHFFFAOYSA-N 1 2 249.358 1.520 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349238215 355373368 /nfs/dbraw/zinc/37/33/68/355373368.db2.gz GVVXTGHWOXPLJK-IVZWLZJFSA-N 1 2 239.319 1.628 20 0 BDADLO CCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349751167 355423558 /nfs/dbraw/zinc/42/35/58/355423558.db2.gz SUUSCIRRRKAGNX-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349751167 355423561 /nfs/dbraw/zinc/42/35/61/355423561.db2.gz SUUSCIRRRKAGNX-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335786470 355436378 /nfs/dbraw/zinc/43/63/78/355436378.db2.gz YWZOLNRZDSVUFQ-UHFFFAOYSA-N 1 2 221.304 1.772 20 0 BDADLO CC(C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335786470 355436380 /nfs/dbraw/zinc/43/63/80/355436380.db2.gz YWZOLNRZDSVUFQ-UHFFFAOYSA-N 1 2 221.304 1.772 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1Cc2ccccc2C1 ZINC000583536958 355398099 /nfs/dbraw/zinc/39/80/99/355398099.db2.gz LHIJINSFFQSPIH-UHFFFAOYSA-N 1 2 242.326 1.652 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1Cc2ccccc2C1 ZINC000583536958 355398102 /nfs/dbraw/zinc/39/81/02/355398102.db2.gz LHIJINSFFQSPIH-UHFFFAOYSA-N 1 2 242.326 1.652 20 0 BDADLO CCN(C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000335801494 355495278 /nfs/dbraw/zinc/49/52/78/355495278.db2.gz LIZQMMMSGKQUNS-GFCCVEGCSA-N 1 2 249.314 1.606 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC1(C)C ZINC000335796933 355453529 /nfs/dbraw/zinc/45/35/29/355453529.db2.gz RQOOCEWIVLPDHZ-SECBINFHSA-N 1 2 236.319 1.408 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cncc(F)c2)c[nH+]1 ZINC000335797387 355454370 /nfs/dbraw/zinc/45/43/70/355454370.db2.gz RKYWBRSKEOYSBQ-ZETCQYMHSA-N 1 2 248.261 1.743 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncn2C)C[C@H](C2CC2)O1 ZINC000335807458 355480308 /nfs/dbraw/zinc/48/03/08/355480308.db2.gz LNYRNYDDULBELM-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncn2C)C[C@H](C2CC2)O1 ZINC000335807458 355480310 /nfs/dbraw/zinc/48/03/10/355480310.db2.gz LNYRNYDDULBELM-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]cn2C)C[C@H](C2CC2)O1 ZINC000335807458 355480313 /nfs/dbraw/zinc/48/03/13/355480313.db2.gz LNYRNYDDULBELM-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO Cn1nncc1C[NH+]1CC(c2ccccc2F)C1 ZINC000335807910 355480998 /nfs/dbraw/zinc/48/09/98/355480998.db2.gz MWFLSIUVAIHDST-UHFFFAOYSA-N 1 2 246.289 1.554 20 0 BDADLO c1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335808135 355481007 /nfs/dbraw/zinc/48/10/07/355481007.db2.gz PSXFUDSGQDLLET-TXEJJXNPSA-N 1 2 204.273 1.445 20 0 BDADLO c1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335808135 355481010 /nfs/dbraw/zinc/48/10/10/355481010.db2.gz PSXFUDSGQDLLET-TXEJJXNPSA-N 1 2 204.273 1.445 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2cncc(C)c2)n1 ZINC000349936329 355531385 /nfs/dbraw/zinc/53/13/85/355531385.db2.gz PZZRXYUNVSRPFZ-ARJAWSKDSA-N 1 2 230.271 1.663 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)N1CC(F)C1 ZINC000335823345 355543424 /nfs/dbraw/zinc/54/34/24/355543424.db2.gz PSOKFXHWSJJBGG-UHFFFAOYSA-N 1 2 248.261 1.198 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000335827157 355552868 /nfs/dbraw/zinc/55/28/68/355552868.db2.gz PAPQBANMLPXIIW-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335819271 355510294 /nfs/dbraw/zinc/51/02/94/355510294.db2.gz JAXVNXPBQGTIQK-HWPZZCPQSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335819271 355510295 /nfs/dbraw/zinc/51/02/95/355510295.db2.gz JAXVNXPBQGTIQK-HWPZZCPQSA-N 1 2 241.356 1.788 20 0 BDADLO C[NH2+]Cc1noc(CCO[C@H](C)CC(C)C)n1 ZINC000349881020 355517344 /nfs/dbraw/zinc/51/73/44/355517344.db2.gz LDYWKECVBJUBJF-SNVBAGLBSA-N 1 2 241.335 1.783 20 0 BDADLO C[NH2+]Cc1noc(COc2ccc(C)cc2C)n1 ZINC000349906702 355523763 /nfs/dbraw/zinc/52/37/63/355523763.db2.gz HDSBOUBZTJDSMZ-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO NC(=O)CC1CC[NH+](Cc2csnn2)CC1 ZINC000330593417 181200900 /nfs/dbraw/zinc/20/09/00/181200900.db2.gz PQYWGKIMEZWERH-UHFFFAOYSA-N 1 2 240.332 1.675 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH+]c[nH]2)cs1 ZINC000349991158 355570392 /nfs/dbraw/zinc/57/03/92/355570392.db2.gz OOTPMJFCFMBPQN-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH]c[nH+]2)cs1 ZINC000349991158 355570396 /nfs/dbraw/zinc/57/03/96/355570396.db2.gz OOTPMJFCFMBPQN-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000335881321 355670322 /nfs/dbraw/zinc/67/03/22/355670322.db2.gz VTGOVZGWMUTNFM-VIFPVBQESA-N 1 2 237.303 1.326 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000623244601 355666654 /nfs/dbraw/zinc/66/66/54/355666654.db2.gz XEXDNUGKIHZBDP-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000623244601 355666657 /nfs/dbraw/zinc/66/66/57/355666657.db2.gz XEXDNUGKIHZBDP-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000335860605 355623018 /nfs/dbraw/zinc/62/30/18/355623018.db2.gz LWIDDRVQRFVANO-GFCCVEGCSA-N 1 2 237.347 1.932 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000335860605 355623020 /nfs/dbraw/zinc/62/30/20/355623020.db2.gz LWIDDRVQRFVANO-GFCCVEGCSA-N 1 2 237.347 1.932 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CCOC[C@H]3C)n21 ZINC000335864559 355628602 /nfs/dbraw/zinc/62/86/02/355628602.db2.gz MPGVFZLAOWLNEA-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2ncc(C[N@H+]3CCOC[C@H]3C)n21 ZINC000335864559 355628606 /nfs/dbraw/zinc/62/86/06/355628606.db2.gz MPGVFZLAOWLNEA-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2ncc(C[N@@H+]3CCOC[C@H]3C)n21 ZINC000335864559 355628607 /nfs/dbraw/zinc/62/86/07/355628607.db2.gz MPGVFZLAOWLNEA-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO O=C(NCC1CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335866348 355630750 /nfs/dbraw/zinc/63/07/50/355630750.db2.gz VDUSTBCVWJLEEC-SECBINFHSA-N 1 2 219.288 1.356 20 0 BDADLO O=C(NCC1CC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335866348 355630753 /nfs/dbraw/zinc/63/07/53/355630753.db2.gz VDUSTBCVWJLEEC-SECBINFHSA-N 1 2 219.288 1.356 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC000639300845 355633679 /nfs/dbraw/zinc/63/36/79/355633679.db2.gz SCERZZUDVXJZMK-MRVPVSSYSA-N 1 2 248.286 1.672 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC000639300845 355633682 /nfs/dbraw/zinc/63/36/82/355633682.db2.gz SCERZZUDVXJZMK-MRVPVSSYSA-N 1 2 248.286 1.672 20 0 BDADLO c1cnnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000583581744 355690220 /nfs/dbraw/zinc/69/02/20/355690220.db2.gz CQHZTSHOULSDMF-GFCCVEGCSA-N 1 2 242.282 1.529 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccncc2)cn1 ZINC000350385986 355699892 /nfs/dbraw/zinc/69/98/92/355699892.db2.gz AWFQUFADNQJKEE-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccncc2)cn1 ZINC000350385986 355699894 /nfs/dbraw/zinc/69/98/94/355699894.db2.gz AWFQUFADNQJKEE-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CCn1c[nH+]cc1CN1Cc2cnn(C)c2C1 ZINC000639321286 355722260 /nfs/dbraw/zinc/72/22/60/355722260.db2.gz IYFIPNLYEVKFPE-UHFFFAOYSA-N 1 2 231.303 1.152 20 0 BDADLO Cn1ncc2c1C[N@H+](CC1(C)CCC1)C2 ZINC000639321703 355723204 /nfs/dbraw/zinc/72/32/04/355723204.db2.gz YASGLNIXIDYJPY-UHFFFAOYSA-N 1 2 205.305 1.926 20 0 BDADLO Cn1ncc2c1C[N@@H+](CC1(C)CCC1)C2 ZINC000639321703 355723209 /nfs/dbraw/zinc/72/32/09/355723209.db2.gz YASGLNIXIDYJPY-UHFFFAOYSA-N 1 2 205.305 1.926 20 0 BDADLO COc1cc(C[NH2+]Cc2ncc(C)s2)on1 ZINC000639323289 355716978 /nfs/dbraw/zinc/71/69/78/355716978.db2.gz BIMMEBDTLLOOJP-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@@H]1CCSC1)C2 ZINC000639321762 355722983 /nfs/dbraw/zinc/72/29/83/355722983.db2.gz ZCTOXAWAYDQHQQ-VIFPVBQESA-N 1 2 223.345 1.489 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@@H]1CCSC1)C2 ZINC000639321762 355722985 /nfs/dbraw/zinc/72/29/85/355722985.db2.gz ZCTOXAWAYDQHQQ-VIFPVBQESA-N 1 2 223.345 1.489 20 0 BDADLO Cc1ccc(CN2CC[N@@H+](C)C[C@H]2CO)s1 ZINC000639336059 355768574 /nfs/dbraw/zinc/76/85/74/355768574.db2.gz DVDUXLGIWZSZAJ-NSHDSACASA-N 1 2 240.372 1.165 20 0 BDADLO Cc1ccc(CN2CC[N@H+](C)C[C@H]2CO)s1 ZINC000639336059 355768577 /nfs/dbraw/zinc/76/85/77/355768577.db2.gz DVDUXLGIWZSZAJ-NSHDSACASA-N 1 2 240.372 1.165 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000639322348 355723858 /nfs/dbraw/zinc/72/38/58/355723858.db2.gz SCIBPDACQUFKIT-PWSUYJOCSA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000639322348 355723859 /nfs/dbraw/zinc/72/38/59/355723859.db2.gz SCIBPDACQUFKIT-PWSUYJOCSA-N 1 2 240.351 1.308 20 0 BDADLO CCn1nncc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000639344023 355787674 /nfs/dbraw/zinc/78/76/74/355787674.db2.gz SZXGZLFRJJTUBZ-UHFFFAOYSA-N 1 2 247.302 1.453 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)o1 ZINC000639357255 355811266 /nfs/dbraw/zinc/81/12/66/355811266.db2.gz METASOMYJPKKJG-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO C(CN1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000608491406 355813948 /nfs/dbraw/zinc/81/39/48/355813948.db2.gz ZWPHZLMKNWAFCG-CQSZACIVSA-N 1 2 238.375 1.583 20 0 BDADLO CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000336038701 134060638 /nfs/dbraw/zinc/06/06/38/134060638.db2.gz CZWZKQLMXFBBMQ-SNVBAGLBSA-N 1 2 236.319 1.388 20 0 BDADLO Cc1nnsc1CNc1c[nH+]cc(N(C)C)c1 ZINC000639366382 355842919 /nfs/dbraw/zinc/84/29/19/355842919.db2.gz VHSAZGFXWUXFSY-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363386 355846050 /nfs/dbraw/zinc/84/60/50/355846050.db2.gz IAYSIAOQGCIAJD-PSASIEDQSA-N 1 2 240.376 1.815 20 0 BDADLO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363386 355846056 /nfs/dbraw/zinc/84/60/56/355846056.db2.gz IAYSIAOQGCIAJD-PSASIEDQSA-N 1 2 240.376 1.815 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2ncc[nH]2)n1 ZINC000639371963 355871910 /nfs/dbraw/zinc/87/19/10/355871910.db2.gz OTVSLOREOXZLPM-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO CCOc1cccc(CNCc2[nH]cc[nH+]2)n1 ZINC000639371963 355871913 /nfs/dbraw/zinc/87/19/13/355871913.db2.gz OTVSLOREOXZLPM-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO COc1ncc(C[NH2+]C2(C)COC2)s1 ZINC000639381095 355918048 /nfs/dbraw/zinc/91/80/48/355918048.db2.gz PIGFZUSNYOJYSH-UHFFFAOYSA-N 1 2 214.290 1.030 20 0 BDADLO CC1([NH2+]Cc2cn3cccc(F)c3n2)COC1 ZINC000639380822 355919960 /nfs/dbraw/zinc/91/99/60/355919960.db2.gz KSNAIFQXFCXQJM-UHFFFAOYSA-N 1 2 235.262 1.352 20 0 BDADLO Cc1c[nH]c(NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000520420930 355920614 /nfs/dbraw/zinc/92/06/14/355920614.db2.gz PJARWQMXEOGSCN-SECBINFHSA-N 1 2 233.275 1.504 20 0 BDADLO CC1([NH2+]Cc2ccc(Cl)o2)COC1 ZINC000639381865 355924672 /nfs/dbraw/zinc/92/46/72/355924672.db2.gz KCEYBHXJPFQJLT-UHFFFAOYSA-N 1 2 201.653 1.812 20 0 BDADLO CC1([NH2+]Cc2cccc(F)c2F)COC1 ZINC000639382452 355928666 /nfs/dbraw/zinc/92/86/66/355928666.db2.gz QEMNEZYSFQVSMH-UHFFFAOYSA-N 1 2 213.227 1.843 20 0 BDADLO C[C@@H]1CC=C(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256805 355974326 /nfs/dbraw/zinc/97/43/26/355974326.db2.gz VTWAOUWSRFWGFX-ZYHUDNBSSA-N 1 2 245.326 1.670 20 0 BDADLO CCc1nc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)co1 ZINC000442816928 191927210 /nfs/dbraw/zinc/92/72/10/191927210.db2.gz YSLZMMUOSMZPFW-QMMMGPOBSA-N 1 2 248.286 1.841 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351202674 355960841 /nfs/dbraw/zinc/96/08/41/355960841.db2.gz MRFZULMVMXHPLU-GFCCVEGCSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351202674 355960845 /nfs/dbraw/zinc/96/08/45/355960845.db2.gz MRFZULMVMXHPLU-GFCCVEGCSA-N 1 2 242.363 1.115 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000351531577 356009845 /nfs/dbraw/zinc/00/98/45/356009845.db2.gz FDSLEPLACMHTKM-NSHDSACASA-N 1 2 243.314 1.554 20 0 BDADLO Nc1ccnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000351531577 356009851 /nfs/dbraw/zinc/00/98/51/356009851.db2.gz FDSLEPLACMHTKM-NSHDSACASA-N 1 2 243.314 1.554 20 0 BDADLO C/C=C\C[C@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000351546996 356014194 /nfs/dbraw/zinc/01/41/94/356014194.db2.gz XAACFMIUWXUJIU-DLRQAJBASA-N 1 2 245.326 1.734 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)c(C)c2)CC1=O ZINC000351584326 356021841 /nfs/dbraw/zinc/02/18/41/356021841.db2.gz VUXLTMKNHGFRPW-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)c(C)c2)CC1=O ZINC000351584326 356021846 /nfs/dbraw/zinc/02/18/46/356021846.db2.gz VUXLTMKNHGFRPW-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000639391295 356027074 /nfs/dbraw/zinc/02/70/74/356027074.db2.gz BGCQEYKJFPTOOD-RNFRBKRXSA-N 1 2 234.225 1.338 20 0 BDADLO NC(=O)C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000367927838 181246576 /nfs/dbraw/zinc/24/65/76/181246576.db2.gz PLLWIFUSBWCWEN-SECBINFHSA-N 1 2 244.298 1.265 20 0 BDADLO COc1nccc(C[NH+]2CC(C)(C)C2)n1 ZINC000639393601 356080130 /nfs/dbraw/zinc/08/01/30/356080130.db2.gz OQTLLBCMPKIDRC-UHFFFAOYSA-N 1 2 207.277 1.327 20 0 BDADLO CCCC[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259139 356087359 /nfs/dbraw/zinc/08/73/59/356087359.db2.gz SBGSZSKMXOKNDL-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO CCCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000299568157 168758966 /nfs/dbraw/zinc/75/89/66/168758966.db2.gz ATUKQZDLADMHNG-UHFFFAOYSA-N 1 2 209.293 1.532 20 0 BDADLO C[C@@H](CO)CSc1[nH+]cnc2c1cnn2C ZINC000085138114 356162366 /nfs/dbraw/zinc/16/23/66/356162366.db2.gz FDKTXWGLXQARIP-ZETCQYMHSA-N 1 2 238.316 1.084 20 0 BDADLO C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1CCNC1=O ZINC000335918999 356166400 /nfs/dbraw/zinc/16/64/00/356166400.db2.gz VKMUKVWTVYMMEU-BXKDBHETSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCNC1=O ZINC000335918999 356166401 /nfs/dbraw/zinc/16/64/01/356166401.db2.gz VKMUKVWTVYMMEU-BXKDBHETSA-N 1 2 236.290 1.707 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=CCCCCC1 ZINC000623261177 356144138 /nfs/dbraw/zinc/14/41/38/356144138.db2.gz CDKBPVOBEAFARL-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)[C@@H](C)CN1C ZINC000336085892 134076651 /nfs/dbraw/zinc/07/66/51/134076651.db2.gz NFUCGILMITUMIG-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)[C@@H](C)CN1C ZINC000336085892 134076652 /nfs/dbraw/zinc/07/66/52/134076652.db2.gz NFUCGILMITUMIG-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261448 356152236 /nfs/dbraw/zinc/15/22/36/356152236.db2.gz ROFJHACAKISFFC-OSMZGAPFSA-N 1 2 247.342 1.606 20 0 BDADLO C[N@H+](Cc1ccco1)[C@H]1CCN(C2CCC2)C1=O ZINC000639434934 356214347 /nfs/dbraw/zinc/21/43/47/356214347.db2.gz LKKGMAJCWXGLSE-ZDUSSCGKSA-N 1 2 248.326 1.865 20 0 BDADLO C[N@@H+](Cc1ccco1)[C@H]1CCN(C2CCC2)C1=O ZINC000639434934 356214348 /nfs/dbraw/zinc/21/43/48/356214348.db2.gz LKKGMAJCWXGLSE-ZDUSSCGKSA-N 1 2 248.326 1.865 20 0 BDADLO CC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000639446856 356227282 /nfs/dbraw/zinc/22/72/82/356227282.db2.gz JTLUHACWNIZXMS-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000623263878 356227833 /nfs/dbraw/zinc/22/78/33/356227833.db2.gz ABJZHUHMUSNMJD-RNFRBKRXSA-N 1 2 247.220 1.122 20 0 BDADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000623263876 356228087 /nfs/dbraw/zinc/22/80/87/356228087.db2.gz ABJZHUHMUSNMJD-BQBZGAKWSA-N 1 2 247.220 1.122 20 0 BDADLO Cc1cscc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265000 356231100 /nfs/dbraw/zinc/23/11/00/356231100.db2.gz YKTAAUARYPSKIB-VIFPVBQESA-N 1 2 247.323 1.608 20 0 BDADLO CC(C)CC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264554 356236333 /nfs/dbraw/zinc/23/63/33/356236333.db2.gz OKFWMRFQNPBRGO-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000121869296 192015454 /nfs/dbraw/zinc/01/54/54/192015454.db2.gz YVVBWNXOPDSVHI-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000374092100 192015475 /nfs/dbraw/zinc/01/54/75/192015475.db2.gz CMDPLFHFNVVCNA-VXGBXAGGSA-N 1 2 239.315 1.670 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000374092100 192015478 /nfs/dbraw/zinc/01/54/78/192015478.db2.gz CMDPLFHFNVVCNA-VXGBXAGGSA-N 1 2 239.315 1.670 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000639452782 356234392 /nfs/dbraw/zinc/23/43/92/356234392.db2.gz BTRKBBRYBBHOGB-JTQLQIEISA-N 1 2 208.261 1.709 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000639452782 356234398 /nfs/dbraw/zinc/23/43/98/356234398.db2.gz BTRKBBRYBBHOGB-JTQLQIEISA-N 1 2 208.261 1.709 20 0 BDADLO CC[C@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000617640161 356251093 /nfs/dbraw/zinc/25/10/93/356251093.db2.gz ULEWGQDYVDVOTG-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCNC(=O)[C@@H]2C)c(C)n1 ZINC000639471102 356260689 /nfs/dbraw/zinc/26/06/89/356260689.db2.gz AORQYIDJDRWODM-LBPRGKRZSA-N 1 2 247.342 1.327 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCNC(=O)[C@@H]2C)c(C)n1 ZINC000639471102 356260691 /nfs/dbraw/zinc/26/06/91/356260691.db2.gz AORQYIDJDRWODM-LBPRGKRZSA-N 1 2 247.342 1.327 20 0 BDADLO Cc1cc(C)c(CN2CCNC(=O)[C@@H]2C)c(C)[nH+]1 ZINC000639471102 356260692 /nfs/dbraw/zinc/26/06/92/356260692.db2.gz AORQYIDJDRWODM-LBPRGKRZSA-N 1 2 247.342 1.327 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1CCO[C@H]1C ZINC000639474119 356267544 /nfs/dbraw/zinc/26/75/44/356267544.db2.gz MJHJVNRWJBSZSM-VHSXEESVSA-N 1 2 237.290 1.625 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1CCO[C@H]1C ZINC000639474119 356267546 /nfs/dbraw/zinc/26/75/46/356267546.db2.gz MJHJVNRWJBSZSM-VHSXEESVSA-N 1 2 237.290 1.625 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000617637934 356238905 /nfs/dbraw/zinc/23/89/05/356238905.db2.gz DEDYEUALDFWJGS-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000617637934 356238906 /nfs/dbraw/zinc/23/89/06/356238906.db2.gz DEDYEUALDFWJGS-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C2CCC2)no1 ZINC000639458996 356246559 /nfs/dbraw/zinc/24/65/59/356246559.db2.gz GDMJPHPENZYPMF-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C2CCC2)no1 ZINC000639458996 356246561 /nfs/dbraw/zinc/24/65/61/356246561.db2.gz GDMJPHPENZYPMF-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000639496707 356323032 /nfs/dbraw/zinc/32/30/32/356323032.db2.gz HGQSWIONXSFBEO-UHFFFAOYSA-N 1 2 211.305 1.611 20 0 BDADLO CC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000639496707 356323035 /nfs/dbraw/zinc/32/30/35/356323035.db2.gz HGQSWIONXSFBEO-UHFFFAOYSA-N 1 2 211.305 1.611 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265821 356299256 /nfs/dbraw/zinc/29/92/56/356299256.db2.gz LLVCPYOTJWTTSS-VHSXEESVSA-N 1 2 221.304 1.216 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)C2(C)CC2)[C@@H](C)CO1 ZINC000617731258 356302970 /nfs/dbraw/zinc/30/29/70/356302970.db2.gz XMDSUWOIOKFOSG-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)C2(C)CC2)[C@@H](C)CO1 ZINC000617731258 356302974 /nfs/dbraw/zinc/30/29/74/356302974.db2.gz XMDSUWOIOKFOSG-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[N@H+](CC(C)=O)[C@@H](CC)CN1C(C)=O ZINC000639507739 356334863 /nfs/dbraw/zinc/33/48/63/356334863.db2.gz MGPXPVBVVLYHEJ-QWHCGFSZSA-N 1 2 240.347 1.297 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(C)=O)[C@@H](CC)CN1C(C)=O ZINC000639507739 356334866 /nfs/dbraw/zinc/33/48/66/356334866.db2.gz MGPXPVBVVLYHEJ-QWHCGFSZSA-N 1 2 240.347 1.297 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623268349 356337026 /nfs/dbraw/zinc/33/70/26/356337026.db2.gz LFCAEIFVGHODFJ-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(O)c2)[C@H](C)C1=O ZINC000336530209 356386986 /nfs/dbraw/zinc/38/69/86/356386986.db2.gz IALRXKZGYBVYFA-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(O)c2)[C@H](C)C1=O ZINC000336530209 356386992 /nfs/dbraw/zinc/38/69/92/356386992.db2.gz IALRXKZGYBVYFA-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO CS[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000609619998 356391671 /nfs/dbraw/zinc/39/16/71/356391671.db2.gz VBUACJVRTIEBQX-MRVPVSSYSA-N 1 2 225.317 1.018 20 0 BDADLO CCc1nc(C[N@@H+]2CCSCC[C@@H]2C)no1 ZINC000336583789 356394859 /nfs/dbraw/zinc/39/48/59/356394859.db2.gz BJOMLOITEPYAGP-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nc(C[N@H+]2CCSCC[C@@H]2C)no1 ZINC000336583789 356394863 /nfs/dbraw/zinc/39/48/63/356394863.db2.gz BJOMLOITEPYAGP-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCC[C@@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623269460 356370378 /nfs/dbraw/zinc/37/03/78/356370378.db2.gz KGVBRIUSZMHMBS-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278817 356427158 /nfs/dbraw/zinc/42/71/58/356427158.db2.gz DWSSUFBUJPLFMO-MNOVXSKESA-N 1 2 231.299 1.280 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC=CCC1 ZINC000623279264 356427719 /nfs/dbraw/zinc/42/77/19/356427719.db2.gz RCXWMKCFTSHSHJ-GHMZBOCLSA-N 1 2 231.299 1.280 20 0 BDADLO CC[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000420628456 192251347 /nfs/dbraw/zinc/25/13/47/192251347.db2.gz PFSQNPNODRBGRC-SECBINFHSA-N 1 2 222.292 1.234 20 0 BDADLO CC[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000420628456 192251350 /nfs/dbraw/zinc/25/13/50/192251350.db2.gz PFSQNPNODRBGRC-SECBINFHSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCc1cnccn1 ZINC000639558154 356459979 /nfs/dbraw/zinc/45/99/79/356459979.db2.gz XBXFLHMADXSBBN-NWDGAFQWSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCc1cnccn1 ZINC000639558154 356459983 /nfs/dbraw/zinc/45/99/83/356459983.db2.gz XBXFLHMADXSBBN-NWDGAFQWSA-N 1 2 234.347 1.044 20 0 BDADLO Cc1nccnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000639551305 356435174 /nfs/dbraw/zinc/43/51/74/356435174.db2.gz LPHNNGCKFCGIKM-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)N=c1nc(C(C)(C)C)o[nH]1 ZINC000580373301 356437402 /nfs/dbraw/zinc/43/74/02/356437402.db2.gz PDHWUXLPFOVYNC-SECBINFHSA-N 1 2 249.318 1.486 20 0 BDADLO Cc1noc(C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000623286699 356480721 /nfs/dbraw/zinc/48/07/21/356480721.db2.gz YJFAVILEPAODLX-UHFFFAOYSA-N 1 2 248.286 1.907 20 0 BDADLO Cc1cc(N2CC[C@@H](O)CC23CCC3)nc[nH+]1 ZINC000420640221 192253854 /nfs/dbraw/zinc/25/38/54/192253854.db2.gz SRYPBYPHMYNQCQ-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO CC[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000420651631 192255037 /nfs/dbraw/zinc/25/50/37/192255037.db2.gz KNOHNRVDSPGPAC-JTQLQIEISA-N 1 2 234.347 1.344 20 0 BDADLO CC[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000420651631 192255039 /nfs/dbraw/zinc/25/50/39/192255039.db2.gz KNOHNRVDSPGPAC-JTQLQIEISA-N 1 2 234.347 1.344 20 0 BDADLO CCCn1nccc1NC(=O)C[N@H+]1CC=CCC1 ZINC000639572922 356496431 /nfs/dbraw/zinc/49/64/31/356496431.db2.gz VRBDPTSCYLZYAX-UHFFFAOYSA-N 1 2 248.330 1.494 20 0 BDADLO CCCn1nccc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000639572922 356496436 /nfs/dbraw/zinc/49/64/36/356496436.db2.gz VRBDPTSCYLZYAX-UHFFFAOYSA-N 1 2 248.330 1.494 20 0 BDADLO O[C@@]12CCCC[C@H]1C[N@H+](CC(F)F)CC2 ZINC000088023405 491093682 /nfs/dbraw/zinc/09/36/82/491093682.db2.gz LHMVQLZUPNBAFL-GXSJLCMTSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@]12CCCC[C@H]1C[N@@H+](CC(F)F)CC2 ZINC000088023405 491093683 /nfs/dbraw/zinc/09/36/83/491093683.db2.gz LHMVQLZUPNBAFL-GXSJLCMTSA-N 1 2 219.275 1.879 20 0 BDADLO CCC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420906251 192270216 /nfs/dbraw/zinc/27/02/16/192270216.db2.gz SIPDOLSHPFSHGV-UHFFFAOYSA-N 1 2 201.701 1.915 20 0 BDADLO CCC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420906251 192270219 /nfs/dbraw/zinc/27/02/19/192270219.db2.gz SIPDOLSHPFSHGV-UHFFFAOYSA-N 1 2 201.701 1.915 20 0 BDADLO CC[C@H]1C[NH+](Cc2ccn(C)n2)C[C@H](CC)O1 ZINC000420954894 192278440 /nfs/dbraw/zinc/27/84/40/192278440.db2.gz KNXRXUUCKLXCAI-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO COCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000613515538 363469614 /nfs/dbraw/zinc/46/96/14/363469614.db2.gz OKOGWUIJSPSCQS-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000420956189 192279003 /nfs/dbraw/zinc/27/90/03/192279003.db2.gz XXIFGNXRRCGVIE-MRVPVSSYSA-N 1 2 248.252 1.969 20 0 BDADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000420956189 192279005 /nfs/dbraw/zinc/27/90/05/192279005.db2.gz XXIFGNXRRCGVIE-MRVPVSSYSA-N 1 2 248.252 1.969 20 0 BDADLO CCC(F)(F)C[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000639617040 356533831 /nfs/dbraw/zinc/53/38/31/356533831.db2.gz IEJNLTIIGNDYBA-NXEZZACHSA-N 1 2 237.290 1.815 20 0 BDADLO Cc1nc(-c2noc(Cn3cc[nH+]c3)n2)co1 ZINC000350323951 366271780 /nfs/dbraw/zinc/27/17/80/366271780.db2.gz KHBYXTKWKJIEHR-UHFFFAOYSA-N 1 2 231.215 1.278 20 0 BDADLO COCCCC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420981912 192290845 /nfs/dbraw/zinc/29/08/45/192290845.db2.gz YXOCCYNPYHWZJH-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO COCCCC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420981912 192290848 /nfs/dbraw/zinc/29/08/48/192290848.db2.gz YXOCCYNPYHWZJH-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CC(=O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000639622497 356542604 /nfs/dbraw/zinc/54/26/04/356542604.db2.gz HUWHPSXCVHCXDZ-UHFFFAOYSA-N 1 2 233.315 1.101 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2cscn2)no1 ZINC000350458871 366280216 /nfs/dbraw/zinc/28/02/16/366280216.db2.gz XPEKQUYYYNRZEO-UHFFFAOYSA-N 1 2 247.283 1.517 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CC2(CC2)C1 ZINC000623296818 356547517 /nfs/dbraw/zinc/54/75/17/356547517.db2.gz QRTAWHPTISZBLG-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1noc(C)c1Cc1noc(C[NH+](C)C)n1 ZINC000350484418 366284062 /nfs/dbraw/zinc/28/40/62/366284062.db2.gz YOZKHSLQXONQHS-UHFFFAOYSA-N 1 2 236.275 1.327 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccsc1 ZINC000623298023 356550353 /nfs/dbraw/zinc/55/03/53/356550353.db2.gz SYASLTSMXLQZDH-JTQLQIEISA-N 1 2 247.323 1.689 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC12CC2 ZINC000623298405 356554550 /nfs/dbraw/zinc/55/45/50/356554550.db2.gz AJUKQQMKBVXDLV-ONGXEEELSA-N 1 2 231.299 1.114 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@]12C[C@H]1CCC2 ZINC000623298517 356555084 /nfs/dbraw/zinc/55/50/84/356555084.db2.gz CNFAYOMTIMLLBG-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1nccnc1CN1CCc2[nH+]c[nH]c2C1 ZINC000639644934 356558275 /nfs/dbraw/zinc/55/82/75/356558275.db2.gz BCRMCQGJZPUTMR-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CC[C@@H](O)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000421071500 192308451 /nfs/dbraw/zinc/30/84/51/192308451.db2.gz RUOBMPFNGFOIEF-SNVBAGLBSA-N 1 2 237.303 1.591 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623300134 356560670 /nfs/dbraw/zinc/56/06/70/356560670.db2.gz KIHMIHWGNSVYKY-NQBHXWOUSA-N 1 2 247.342 1.750 20 0 BDADLO CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000336202582 134130752 /nfs/dbraw/zinc/13/07/52/134130752.db2.gz KGYDSOQIHHSZOK-UHFFFAOYSA-N 1 2 226.301 1.184 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000639677497 356593470 /nfs/dbraw/zinc/59/34/70/356593470.db2.gz QLXWBTVPJPEQTD-UHFFFAOYSA-N 1 2 249.305 1.425 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1C ZINC000642352145 363513430 /nfs/dbraw/zinc/51/34/30/363513430.db2.gz PBMSCTJXNWIGBD-OPRDCNLKSA-N 1 2 207.277 1.044 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623307762 356613433 /nfs/dbraw/zinc/61/34/33/356613433.db2.gz NYPIQADCZPOUHQ-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304803 356598788 /nfs/dbraw/zinc/59/87/88/356598788.db2.gz FNMQWPPZDCKBIW-SDDRHHMPSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000623305679 356600924 /nfs/dbraw/zinc/60/09/24/356600924.db2.gz XRRLVKLHYHFEMP-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO O=C(CC1CCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623306587 356607336 /nfs/dbraw/zinc/60/73/36/356607336.db2.gz QLURHZNISSRKOH-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1cnc(NC(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000639741947 356634868 /nfs/dbraw/zinc/63/48/68/356634868.db2.gz GRVNCIORRRFEQT-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO CNc1nc(NCC2CC2)[nH+]c2ccccc21 ZINC000450245967 202106805 /nfs/dbraw/zinc/10/68/05/202106805.db2.gz SPQUENSPYSFSLV-UHFFFAOYSA-N 1 2 228.299 1.337 20 0 BDADLO CC[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000352966218 356646044 /nfs/dbraw/zinc/64/60/44/356646044.db2.gz CPGOJKSDPYJCNX-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO COC(=O)c1ccc(C[NH2+][C@@H](C)C(C)(F)F)[nH]1 ZINC000389450733 356675930 /nfs/dbraw/zinc/67/59/30/356675930.db2.gz SMDIUKNYSGQYJZ-ZETCQYMHSA-N 1 2 246.257 1.935 20 0 BDADLO OCC1([C@H]([NH2+]CC(F)F)[C@@H]2CCCO2)CCC1 ZINC000639763126 356688966 /nfs/dbraw/zinc/68/89/66/356688966.db2.gz BCHREOUVDRQKHF-GXSJLCMTSA-N 1 2 249.301 1.551 20 0 BDADLO Cc1ccc2[nH+]c(CNc3ccn(C)n3)cn2c1 ZINC000179897932 366330257 /nfs/dbraw/zinc/33/02/57/366330257.db2.gz TZAIIVCAHINUJN-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO CCC[C@H](O)C[NH2+][C@](C)(CCC)C(=O)OC ZINC000450417353 202159661 /nfs/dbraw/zinc/15/96/61/202159661.db2.gz JCQDSQVLNSKQDD-CMPLNLGQSA-N 1 2 231.336 1.469 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000054172573 363564009 /nfs/dbraw/zinc/56/40/09/363564009.db2.gz SYXAVTLXIVJRJT-UWVGGRQHSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000054172573 363564013 /nfs/dbraw/zinc/56/40/13/363564013.db2.gz SYXAVTLXIVJRJT-UWVGGRQHSA-N 1 2 228.336 1.010 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCC2(CC2)C1 ZINC000281737626 538529370 /nfs/dbraw/zinc/52/93/70/538529370.db2.gz YFCFOJMQFPCLML-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCC2(CC2)C1 ZINC000281737626 538529382 /nfs/dbraw/zinc/52/93/82/538529382.db2.gz YFCFOJMQFPCLML-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776998 356719581 /nfs/dbraw/zinc/71/95/81/356719581.db2.gz GRNQMEXTGSVCCX-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776998 356719585 /nfs/dbraw/zinc/71/95/85/356719585.db2.gz GRNQMEXTGSVCCX-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)[nH]1 ZINC000639777190 356720821 /nfs/dbraw/zinc/72/08/21/356720821.db2.gz IZWYHFHHZAKVBX-JTQLQIEISA-N 1 2 232.291 1.173 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)[nH]1 ZINC000639777190 356720825 /nfs/dbraw/zinc/72/08/25/356720825.db2.gz IZWYHFHHZAKVBX-JTQLQIEISA-N 1 2 232.291 1.173 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC[C@H](C)O)s1 ZINC000450436522 202167965 /nfs/dbraw/zinc/16/79/65/202167965.db2.gz JDPLLWLURUKLBA-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC[C@H](C)O)s1 ZINC000450436522 202167967 /nfs/dbraw/zinc/16/79/67/202167967.db2.gz JDPLLWLURUKLBA-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OCC ZINC000384772600 356745257 /nfs/dbraw/zinc/74/52/57/356745257.db2.gz PIHMDBLMSQAJGM-WISYIIOYSA-N 1 2 243.347 1.874 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000639812953 356791607 /nfs/dbraw/zinc/79/16/07/356791607.db2.gz DFPYVLOKWKIRMI-NXEZZACHSA-N 1 2 246.301 1.632 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000639812953 356791610 /nfs/dbraw/zinc/79/16/10/356791610.db2.gz DFPYVLOKWKIRMI-NXEZZACHSA-N 1 2 246.301 1.632 20 0 BDADLO COc1cccc(Cc2noc(C[NH+](C)C)n2)n1 ZINC000350646237 538680917 /nfs/dbraw/zinc/68/09/17/538680917.db2.gz VFCNTKNYIIBVOE-UHFFFAOYSA-N 1 2 248.286 1.126 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639839113 356833467 /nfs/dbraw/zinc/83/34/67/356833467.db2.gz IBKQMTKFGISKJD-NSHDSACASA-N 1 2 248.330 1.138 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639839113 356833472 /nfs/dbraw/zinc/83/34/72/356833472.db2.gz IBKQMTKFGISKJD-NSHDSACASA-N 1 2 248.330 1.138 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000639835316 356825445 /nfs/dbraw/zinc/82/54/45/356825445.db2.gz FQBATYYSYKHWPI-ZDUSSCGKSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000639835316 356825448 /nfs/dbraw/zinc/82/54/48/356825448.db2.gz FQBATYYSYKHWPI-ZDUSSCGKSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@H]1C[N@H+](CCc2ccncc2C)CCO1 ZINC000639835221 356825853 /nfs/dbraw/zinc/82/58/53/356825853.db2.gz DUTZNMJSSPJWKM-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CO[C@H]1C[N@@H+](CCc2ccncc2C)CCO1 ZINC000639835221 356825857 /nfs/dbraw/zinc/82/58/57/356825857.db2.gz DUTZNMJSSPJWKM-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CO[C@@H]1C[N@H+](CCCc2ccsc2)CCO1 ZINC000639835729 356826055 /nfs/dbraw/zinc/82/60/55/356826055.db2.gz DKLUBYBYTDAAER-LBPRGKRZSA-N 1 2 241.356 1.985 20 0 BDADLO CO[C@@H]1C[N@@H+](CCCc2ccsc2)CCO1 ZINC000639835729 356826059 /nfs/dbraw/zinc/82/60/59/356826059.db2.gz DKLUBYBYTDAAER-LBPRGKRZSA-N 1 2 241.356 1.985 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639837235 356829655 /nfs/dbraw/zinc/82/96/55/356829655.db2.gz QDNAEBWXGFFJKY-MNOVXSKESA-N 1 2 229.320 1.106 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639837235 356829658 /nfs/dbraw/zinc/82/96/58/356829658.db2.gz QDNAEBWXGFFJKY-MNOVXSKESA-N 1 2 229.320 1.106 20 0 BDADLO CSCC[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450495018 202185844 /nfs/dbraw/zinc/18/58/44/202185844.db2.gz QYFPFECPHBGEIC-UHFFFAOYSA-N 1 2 240.376 1.483 20 0 BDADLO CSCC[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450495018 202185845 /nfs/dbraw/zinc/18/58/45/202185845.db2.gz QYFPFECPHBGEIC-UHFFFAOYSA-N 1 2 240.376 1.483 20 0 BDADLO CC(C)=CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000281974739 538718748 /nfs/dbraw/zinc/71/87/48/538718748.db2.gz UWFXQFZNAJTBCM-UHFFFAOYSA-N 1 2 221.304 1.815 20 0 BDADLO CC(C)=CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000281974739 538718758 /nfs/dbraw/zinc/71/87/58/538718758.db2.gz UWFXQFZNAJTBCM-UHFFFAOYSA-N 1 2 221.304 1.815 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1cncnc1 ZINC000352650233 538724811 /nfs/dbraw/zinc/72/48/11/538724811.db2.gz VLTHBMDYZNKBHO-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1cncnc1 ZINC000352650233 538724817 /nfs/dbraw/zinc/72/48/17/538724817.db2.gz VLTHBMDYZNKBHO-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO CC1(C)CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000359362887 356888929 /nfs/dbraw/zinc/88/89/29/356888929.db2.gz RHXFOMLWVMNDSI-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CCCC1)CC2 ZINC000623382098 356905376 /nfs/dbraw/zinc/90/53/76/356905376.db2.gz XTVHXRSQXGVGDM-NSHDSACASA-N 1 2 247.342 1.813 20 0 BDADLO CC(C)CC[C@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000360684803 356910448 /nfs/dbraw/zinc/91/04/48/356910448.db2.gz HNVBUAGRGXBQHV-VIFPVBQESA-N 1 2 237.290 1.707 20 0 BDADLO COCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000212569284 356914980 /nfs/dbraw/zinc/91/49/80/356914980.db2.gz RTRKLLLJUUTVTJ-UHFFFAOYSA-N 1 2 235.283 1.435 20 0 BDADLO COCC[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000212569284 356914982 /nfs/dbraw/zinc/91/49/82/356914982.db2.gz RTRKLLLJUUTVTJ-UHFFFAOYSA-N 1 2 235.283 1.435 20 0 BDADLO CC[N@@H+](Cc1ncnn1CCF)C[C@@H](C)OC ZINC000361571135 356933445 /nfs/dbraw/zinc/93/34/45/356933445.db2.gz ZQWSXTYHMVNJTI-SNVBAGLBSA-N 1 2 244.314 1.104 20 0 BDADLO CC[N@H+](Cc1ncnn1CCF)C[C@@H](C)OC ZINC000361571135 356933448 /nfs/dbraw/zinc/93/34/48/356933448.db2.gz ZQWSXTYHMVNJTI-SNVBAGLBSA-N 1 2 244.314 1.104 20 0 BDADLO CCc1nnc(C[N@@H+]2CCc3ncccc3C2)[nH]1 ZINC000367860451 356961290 /nfs/dbraw/zinc/96/12/90/356961290.db2.gz UCXPKSIDKYKMGA-UHFFFAOYSA-N 1 2 243.314 1.320 20 0 BDADLO CCc1nnc(C[N@H+]2CCc3ncccc3C2)[nH]1 ZINC000367860451 356961293 /nfs/dbraw/zinc/96/12/93/356961293.db2.gz UCXPKSIDKYKMGA-UHFFFAOYSA-N 1 2 243.314 1.320 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@H]3C[C@H]32)O1 ZINC000368332721 356969839 /nfs/dbraw/zinc/96/98/39/356969839.db2.gz RGGRMVHXDAXQBD-MXWKQRLJSA-N 1 2 211.305 1.417 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCO[C@H]3C[C@H]32)O1 ZINC000368332721 356969841 /nfs/dbraw/zinc/96/98/41/356969841.db2.gz RGGRMVHXDAXQBD-MXWKQRLJSA-N 1 2 211.305 1.417 20 0 BDADLO COC[C@]1(C)CCN(c2cc(C)[nH+]cn2)C1 ZINC000450601135 202209567 /nfs/dbraw/zinc/20/95/67/202209567.db2.gz AKHCAQZDQCWPKB-GFCCVEGCSA-N 1 2 221.304 1.648 20 0 BDADLO F[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000450603276 202208847 /nfs/dbraw/zinc/20/88/47/202208847.db2.gz GYWWTDSRWWHTTG-SNVBAGLBSA-N 1 2 236.294 1.847 20 0 BDADLO F[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000450603276 202208851 /nfs/dbraw/zinc/20/88/51/202208851.db2.gz GYWWTDSRWWHTTG-SNVBAGLBSA-N 1 2 236.294 1.847 20 0 BDADLO Cc1cc(NCC(F)(F)F)c(C#N)c[nH+]1 ZINC000399727229 357027193 /nfs/dbraw/zinc/02/71/93/357027193.db2.gz KTMLHWNQZZMABB-UHFFFAOYSA-N 1 2 215.178 1.658 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1(F)F ZINC000582306719 357043990 /nfs/dbraw/zinc/04/39/90/357043990.db2.gz BKHWEHUNQYSCQQ-RQJHMYQMSA-N 1 2 243.257 1.662 20 0 BDADLO CC[C@H](NC(=O)C1CC(OC)C1)c1[nH]cc[nH+]1 ZINC000626483847 357047251 /nfs/dbraw/zinc/04/72/51/357047251.db2.gz WYWRGKYMZLLTRH-RTBKNWGFSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)C[C@H](C)O1 ZINC000156572807 538789360 /nfs/dbraw/zinc/78/93/60/538789360.db2.gz GVNHCTIWXJTKGF-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)nc2)C[C@H](C)O1 ZINC000156572807 538789365 /nfs/dbraw/zinc/78/93/65/538789365.db2.gz GVNHCTIWXJTKGF-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO Cc1nc(NCCOCC2CCC2)cc[nH+]1 ZINC000390488551 357096920 /nfs/dbraw/zinc/09/69/20/357096920.db2.gz PLIIHRZCPODLRA-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)n1C ZINC000054455249 363574407 /nfs/dbraw/zinc/57/44/07/363574407.db2.gz WNLNUGQALBPGNR-UHFFFAOYSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1nn(C)c2ncc(CNc3c[nH]c[nH+]3)cc12 ZINC000582391896 357125275 /nfs/dbraw/zinc/12/52/75/357125275.db2.gz BFGXVWCNJRLTQW-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO CCc1nc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)no1 ZINC000305235494 357189020 /nfs/dbraw/zinc/18/90/20/357189020.db2.gz NKOSTPOKZZVWMV-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)no1 ZINC000305235494 357189023 /nfs/dbraw/zinc/18/90/23/357189023.db2.gz NKOSTPOKZZVWMV-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CO[C@@H]1CCN(c2nc(C)[nH+]cc2C)C[C@H]1C ZINC000583703870 357283303 /nfs/dbraw/zinc/28/33/03/357283303.db2.gz MOOSYHBHGVCASH-ZYHUDNBSSA-N 1 2 235.331 1.955 20 0 BDADLO COC[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000639901046 357286312 /nfs/dbraw/zinc/28/63/12/357286312.db2.gz DNENXCSUZQMAAO-JTQLQIEISA-N 1 2 237.303 1.277 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[NH+]1C2CCC1CC2 ZINC000582465894 357291462 /nfs/dbraw/zinc/29/14/62/357291462.db2.gz KRWLQGLKQOUAGJ-WXRRBKDZSA-N 1 2 246.310 1.923 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC1(C)C ZINC000393831284 357302486 /nfs/dbraw/zinc/30/24/86/357302486.db2.gz CCRROWCTZYEJDQ-SSDOTTSWSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC1(C)C ZINC000393831284 357302491 /nfs/dbraw/zinc/30/24/91/357302491.db2.gz CCRROWCTZYEJDQ-SSDOTTSWSA-N 1 2 222.292 1.668 20 0 BDADLO CCCSCC(=O)NCCCn1cc[nH+]c1 ZINC000054852192 363580775 /nfs/dbraw/zinc/58/07/75/363580775.db2.gz UZJACFCPGFSSBZ-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cc(C)no2)[nH]1 ZINC000631103053 357246313 /nfs/dbraw/zinc/24/63/13/357246313.db2.gz XXINVUJIFKPRDQ-QMMMGPOBSA-N 1 2 235.291 1.514 20 0 BDADLO c1cn2c(cccc2CN2CC3(C2)CCCO3)[nH+]1 ZINC000628427079 357256065 /nfs/dbraw/zinc/25/60/65/357256065.db2.gz FBTWAYXQWYAYQH-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO Cc1ccncc1C[NH+]1CC2(C1)CCCO2 ZINC000628427501 357256258 /nfs/dbraw/zinc/25/62/58/357256258.db2.gz GNYXCWWTCBVZSP-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Oc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000628427219 357256901 /nfs/dbraw/zinc/25/69/01/357256901.db2.gz NDMDMIGRUGBALM-UHFFFAOYSA-N 1 2 219.284 1.757 20 0 BDADLO C[C@H]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073045566 357261308 /nfs/dbraw/zinc/26/13/08/357261308.db2.gz DGINHUFBBDSNGY-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(CO)c1 ZINC000357311670 538827053 /nfs/dbraw/zinc/82/70/53/538827053.db2.gz YEIOMBBEYFXWQG-UHFFFAOYSA-N 1 2 245.282 1.473 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(CO)c1 ZINC000357311670 538827056 /nfs/dbraw/zinc/82/70/56/538827056.db2.gz YEIOMBBEYFXWQG-UHFFFAOYSA-N 1 2 245.282 1.473 20 0 BDADLO Clc1cncnc1N1CCn2c[nH+]cc2C1 ZINC000357576952 538829759 /nfs/dbraw/zinc/82/97/59/538829759.db2.gz DZUUIACBDTVNIR-UHFFFAOYSA-N 1 2 235.678 1.347 20 0 BDADLO CN(C)C(=O)CCC[N@H+](CC(F)F)C1CC1 ZINC000582582592 357344278 /nfs/dbraw/zinc/34/42/78/357344278.db2.gz UALODLZNVUPBMW-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO CN(C)C(=O)CCC[N@@H+](CC(F)F)C1CC1 ZINC000582582592 357344285 /nfs/dbraw/zinc/34/42/85/357344285.db2.gz UALODLZNVUPBMW-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC1(F)CCC1 ZINC000582856614 357421349 /nfs/dbraw/zinc/42/13/49/357421349.db2.gz QHUCZKCDHQLLRA-UHFFFAOYSA-N 1 2 240.282 1.184 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC1(F)CCC1 ZINC000582856614 357421355 /nfs/dbraw/zinc/42/13/55/357421355.db2.gz QHUCZKCDHQLLRA-UHFFFAOYSA-N 1 2 240.282 1.184 20 0 BDADLO O=C(C[C@H]1CCOC1)Nc1c[nH+]c2n1CCCC2 ZINC000582946310 357443314 /nfs/dbraw/zinc/44/33/14/357443314.db2.gz DQZWKGKLBWMJJZ-SNVBAGLBSA-N 1 2 249.314 1.585 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1cc[nH]n1)n1cc[nH+]c1 ZINC000582968404 357447053 /nfs/dbraw/zinc/44/70/53/357447053.db2.gz QBPFANJDZDNQTM-JTQLQIEISA-N 1 2 247.302 1.216 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC1(O)CCC1)C(C)C ZINC000396777898 357483908 /nfs/dbraw/zinc/48/39/08/357483908.db2.gz CZARTHWZURSNLG-SNVBAGLBSA-N 1 2 229.320 1.079 20 0 BDADLO CC[C@@](C)(O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583148336 357494299 /nfs/dbraw/zinc/49/42/99/357494299.db2.gz XMDLEQHVVNXEID-CMPLNLGQSA-N 1 2 239.319 1.111 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC(F)(F)F ZINC000063100676 357526954 /nfs/dbraw/zinc/52/69/54/357526954.db2.gz KTWPUTRAVDPHNE-UHFFFAOYSA-N 1 2 245.208 1.728 20 0 BDADLO COC(=O)[C@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000231030130 357595830 /nfs/dbraw/zinc/59/58/30/357595830.db2.gz QUTTZXFGCRAEDO-CQSZACIVSA-N 1 2 245.322 1.695 20 0 BDADLO CC1(C(=O)NCc2c[nH+]c[nH]2)CCCCC1 ZINC000232226489 357653571 /nfs/dbraw/zinc/65/35/71/357653571.db2.gz TXZLKWRHOXMJPD-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CC1(C(=O)NCc2c[nH]c[nH+]2)CCCCC1 ZINC000232226489 357653575 /nfs/dbraw/zinc/65/35/75/357653575.db2.gz TXZLKWRHOXMJPD-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CCN1CN(c2nc(C)[nH+]c(C)c2C)CC1=O ZINC000189775113 357661177 /nfs/dbraw/zinc/66/11/77/357661177.db2.gz ICIFKEOGJMHXIO-UHFFFAOYSA-N 1 2 234.303 1.028 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN(CC(F)F)C1CC1 ZINC000189929558 357676517 /nfs/dbraw/zinc/67/65/17/357676517.db2.gz ASAZCFUVHCWVAK-SNVBAGLBSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN(CC(F)F)C1CC1 ZINC000189929558 357676519 /nfs/dbraw/zinc/67/65/19/357676519.db2.gz ASAZCFUVHCWVAK-SNVBAGLBSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1ncc[nH]1 ZINC000189476923 357637025 /nfs/dbraw/zinc/63/70/25/357637025.db2.gz LRXLRECDENPVDV-VIFPVBQESA-N 1 2 227.333 1.223 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1ncc[nH]1 ZINC000189476923 357637031 /nfs/dbraw/zinc/63/70/31/357637031.db2.gz LRXLRECDENPVDV-VIFPVBQESA-N 1 2 227.333 1.223 20 0 BDADLO CC1(CNc2nc[nH+]c(N)c2Cl)CC1 ZINC000232842440 357685644 /nfs/dbraw/zinc/68/56/44/357685644.db2.gz IFHICQSGVAADIL-UHFFFAOYSA-N 1 2 212.684 1.924 20 0 BDADLO CC1(CNc2[nH+]cnc(N)c2Cl)CC1 ZINC000232842440 357685645 /nfs/dbraw/zinc/68/56/45/357685645.db2.gz IFHICQSGVAADIL-UHFFFAOYSA-N 1 2 212.684 1.924 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000190825600 357726902 /nfs/dbraw/zinc/72/69/02/357726902.db2.gz OSGADUUQRDLZRD-JQWIXIFHSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C[C@@H]1CCCO1)C1CC1 ZINC000190825600 357726903 /nfs/dbraw/zinc/72/69/03/357726903.db2.gz OSGADUUQRDLZRD-JQWIXIFHSA-N 1 2 241.331 1.581 20 0 BDADLO CCc1occc1C(=O)NCc1c[nH+]c[nH]1 ZINC000234153845 357776064 /nfs/dbraw/zinc/77/60/64/357776064.db2.gz UCENDTDTPZIYCY-UHFFFAOYSA-N 1 2 219.244 1.495 20 0 BDADLO CCc1occc1C(=O)NCc1c[nH]c[nH+]1 ZINC000234153845 357776069 /nfs/dbraw/zinc/77/60/69/357776069.db2.gz UCENDTDTPZIYCY-UHFFFAOYSA-N 1 2 219.244 1.495 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CS[C@@H](C)C1 ZINC000397865004 357756559 /nfs/dbraw/zinc/75/65/59/357756559.db2.gz QCRIUTWFKCEBRI-BQBZGAKWSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CS[C@@H](C)C1 ZINC000397865004 357756565 /nfs/dbraw/zinc/75/65/65/357756565.db2.gz QCRIUTWFKCEBRI-BQBZGAKWSA-N 1 2 240.332 1.373 20 0 BDADLO Cc1ocnc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000397904450 357797853 /nfs/dbraw/zinc/79/78/53/357797853.db2.gz XXQVYVWDTAMPQM-MRVPVSSYSA-N 1 2 238.209 1.386 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+]1Cc1csnn1 ZINC000191956597 357806187 /nfs/dbraw/zinc/80/61/87/357806187.db2.gz MXLMDMSWRMKISV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@]1(CO)CCC[N@H+]1Cc1csnn1 ZINC000191956597 357806189 /nfs/dbraw/zinc/80/61/89/357806189.db2.gz MXLMDMSWRMKISV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@H]1CCC[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000191959684 357807327 /nfs/dbraw/zinc/80/73/27/357807327.db2.gz QMGALRKAEOEBKR-KXNHARMFSA-N 1 2 243.347 1.467 20 0 BDADLO CSCC[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192074887 357817267 /nfs/dbraw/zinc/81/72/67/357817267.db2.gz PJROZESQQOHCMG-MRVPVSSYSA-N 1 2 241.364 1.364 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192074887 357817269 /nfs/dbraw/zinc/81/72/69/357817269.db2.gz PJROZESQQOHCMG-MRVPVSSYSA-N 1 2 241.364 1.364 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCCO[C@@H](C)C2)on1 ZINC000583271022 357787381 /nfs/dbraw/zinc/78/73/81/357787381.db2.gz LBHXMJOOMDXJCZ-VIFPVBQESA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCCO[C@@H](C)C2)on1 ZINC000583271022 357787382 /nfs/dbraw/zinc/78/73/82/357787382.db2.gz LBHXMJOOMDXJCZ-VIFPVBQESA-N 1 2 238.287 1.488 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926515 357851704 /nfs/dbraw/zinc/85/17/04/357851704.db2.gz YKDHNBOYVGULBY-WCBMZHEXSA-N 1 2 222.288 1.536 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926515 357851707 /nfs/dbraw/zinc/85/17/07/357851707.db2.gz YKDHNBOYVGULBY-WCBMZHEXSA-N 1 2 222.288 1.536 20 0 BDADLO CO[C@@H]1CC[N@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000234850264 357838591 /nfs/dbraw/zinc/83/85/91/357838591.db2.gz JOROCZHEVWROEU-LLVKDONJSA-N 1 2 236.315 1.535 20 0 BDADLO CO[C@@H]1CC[N@@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000234850264 357838593 /nfs/dbraw/zinc/83/85/93/357838593.db2.gz JOROCZHEVWROEU-LLVKDONJSA-N 1 2 236.315 1.535 20 0 BDADLO Cc1ccncc1NCc1c[nH+]cn1C ZINC000085169576 134224643 /nfs/dbraw/zinc/22/46/43/134224643.db2.gz NJJRABYPCXJNBN-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)[C@H]1c1ccco1 ZINC000639926416 357850735 /nfs/dbraw/zinc/85/07/35/357850735.db2.gz MPKDDOSANFNCKD-KOLCDFICSA-N 1 2 234.299 1.551 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)[C@H]1c1ccco1 ZINC000639926416 357850739 /nfs/dbraw/zinc/85/07/39/357850739.db2.gz MPKDDOSANFNCKD-KOLCDFICSA-N 1 2 234.299 1.551 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000193021635 357864878 /nfs/dbraw/zinc/86/48/78/357864878.db2.gz PWPMRDOVQBWZMW-AXFHLTTASA-N 1 2 231.286 1.758 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000193021635 357864882 /nfs/dbraw/zinc/86/48/82/357864882.db2.gz PWPMRDOVQBWZMW-AXFHLTTASA-N 1 2 231.286 1.758 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2c[nH+]cn2C)[C@@H]1C(=O)[O-] ZINC000235325658 357865613 /nfs/dbraw/zinc/86/56/13/357865613.db2.gz YGSUCTZWMVFYDZ-KOLCDFICSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2c[nH+]cn2C)[C@@H]1C(=O)[O-] ZINC000235325658 357865616 /nfs/dbraw/zinc/86/56/16/357865616.db2.gz YGSUCTZWMVFYDZ-KOLCDFICSA-N 1 2 237.303 1.105 20 0 BDADLO CC/C=C/CC[N@H+](CCO)CC(F)F ZINC000193394470 357881311 /nfs/dbraw/zinc/88/13/11/357881311.db2.gz WBEZGEIPSHMSFY-ONEGZZNKSA-N 1 2 207.264 1.902 20 0 BDADLO CC/C=C/CC[N@@H+](CCO)CC(F)F ZINC000193394470 357881313 /nfs/dbraw/zinc/88/13/13/357881313.db2.gz WBEZGEIPSHMSFY-ONEGZZNKSA-N 1 2 207.264 1.902 20 0 BDADLO COC1(C(=O)NCCc2[nH]cc[nH+]2)CCCC1 ZINC000583728769 357916726 /nfs/dbraw/zinc/91/67/26/357916726.db2.gz FGPIMHSGLIIOIL-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)[C@@H]1CCCOC1 ZINC000583828268 357963353 /nfs/dbraw/zinc/96/33/53/357963353.db2.gz UTWRVRKAHDBMRG-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1CCCOC1 ZINC000583828268 357963358 /nfs/dbraw/zinc/96/33/58/357963358.db2.gz UTWRVRKAHDBMRG-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO Nc1ncc(C[N@@H+]2CCO[C@@H](CCF)C2)s1 ZINC000628457528 358016762 /nfs/dbraw/zinc/01/67/62/358016762.db2.gz BLZUCGHDZTZFEC-QMMMGPOBSA-N 1 2 245.323 1.116 20 0 BDADLO Nc1ncc(C[N@H+]2CCO[C@@H](CCF)C2)s1 ZINC000628457528 358016765 /nfs/dbraw/zinc/01/67/65/358016765.db2.gz BLZUCGHDZTZFEC-QMMMGPOBSA-N 1 2 245.323 1.116 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000639970365 358023332 /nfs/dbraw/zinc/02/33/32/358023332.db2.gz FDCBWZBSLBNTPE-JTQLQIEISA-N 1 2 231.303 1.701 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000639970365 358023336 /nfs/dbraw/zinc/02/33/36/358023336.db2.gz FDCBWZBSLBNTPE-JTQLQIEISA-N 1 2 231.303 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOCC(C)C ZINC000639970824 358024207 /nfs/dbraw/zinc/02/42/07/358024207.db2.gz LIKHZSROYVPUTD-UHFFFAOYSA-N 1 2 225.336 1.823 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOCC(C)C ZINC000639970824 358024209 /nfs/dbraw/zinc/02/42/09/358024209.db2.gz LIKHZSROYVPUTD-UHFFFAOYSA-N 1 2 225.336 1.823 20 0 BDADLO CCn1cc[nH+]c1CNCc1csc(C)n1 ZINC000051924082 358101549 /nfs/dbraw/zinc/10/15/49/358101549.db2.gz PLRPOOZJICEZOZ-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000051923464 358101666 /nfs/dbraw/zinc/10/16/66/358101666.db2.gz BCCDDDMINVYIPG-JTQLQIEISA-N 1 2 247.346 1.796 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CC2)C1 ZINC000583881379 358115698 /nfs/dbraw/zinc/11/56/98/358115698.db2.gz AIFZXXUTCBKJQZ-VIFPVBQESA-N 1 2 219.288 1.211 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(CC2)C1 ZINC000583881379 358115702 /nfs/dbraw/zinc/11/57/02/358115702.db2.gz AIFZXXUTCBKJQZ-VIFPVBQESA-N 1 2 219.288 1.211 20 0 BDADLO CC(C)c1nc(NCCC(C)(C)CO)cc[nH+]1 ZINC000450630355 202218450 /nfs/dbraw/zinc/21/84/50/202218450.db2.gz RZSVPMQOPGPUIZ-UHFFFAOYSA-N 1 2 237.347 1.842 20 0 BDADLO C[N@@H+](Cc1cccnc1N)C[C@@H](O)C(F)(F)F ZINC000450656325 202227556 /nfs/dbraw/zinc/22/75/56/202227556.db2.gz YLDNWRKMRBRQSE-MRVPVSSYSA-N 1 2 249.236 1.019 20 0 BDADLO C[N@H+](Cc1cccnc1N)C[C@@H](O)C(F)(F)F ZINC000450656325 202227561 /nfs/dbraw/zinc/22/75/61/202227561.db2.gz YLDNWRKMRBRQSE-MRVPVSSYSA-N 1 2 249.236 1.019 20 0 BDADLO COCC1(C)CC[NH+](Cc2cnn[nH]2)CC1 ZINC000450643975 202222218 /nfs/dbraw/zinc/22/22/18/202222218.db2.gz CETUOYXZJDHGKI-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO COCC1(C)CC[NH+](Cc2c[nH]nn2)CC1 ZINC000450643975 202222221 /nfs/dbraw/zinc/22/22/21/202222221.db2.gz CETUOYXZJDHGKI-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO COCC1(C)CC[NH+](Cc2cn[nH]n2)CC1 ZINC000450643975 202222224 /nfs/dbraw/zinc/22/22/24/202222224.db2.gz CETUOYXZJDHGKI-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO CO[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000450753050 202256579 /nfs/dbraw/zinc/25/65/79/202256579.db2.gz GNOLHOJKNUAACR-MWLCHTKSSA-N 1 2 221.304 1.646 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242518 358343369 /nfs/dbraw/zinc/34/33/69/358343369.db2.gz HCISLGJIMAANQA-WISYIIOYSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242518 358343374 /nfs/dbraw/zinc/34/33/74/358343374.db2.gz HCISLGJIMAANQA-WISYIIOYSA-N 1 2 242.363 1.399 20 0 BDADLO COC[C@@H](O)C[NH2+]CC(F)(F)c1ccccc1 ZINC000227902102 358366210 /nfs/dbraw/zinc/36/62/10/358366210.db2.gz HXNSYGMVSYRLMU-NSHDSACASA-N 1 2 245.269 1.375 20 0 BDADLO Cc1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000043594444 358383811 /nfs/dbraw/zinc/38/38/11/358383811.db2.gz KADXKXBJJMLCAG-LLVKDONJSA-N 1 2 215.256 1.613 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)OC(C)(C)C ZINC000228861634 358387036 /nfs/dbraw/zinc/38/70/36/358387036.db2.gz VGTOTHSDPUTCTJ-IVZWLZJFSA-N 1 2 243.347 1.466 20 0 BDADLO CCC[C@@](C)(O)CNc1nc[nH+]c(N)c1OC ZINC000230727221 358410565 /nfs/dbraw/zinc/41/05/65/358410565.db2.gz CPSWHXIEGVVRPC-LLVKDONJSA-N 1 2 240.307 1.030 20 0 BDADLO CCC[C@@](C)(O)CNc1[nH+]cnc(N)c1OC ZINC000230727221 358410567 /nfs/dbraw/zinc/41/05/67/358410567.db2.gz CPSWHXIEGVVRPC-LLVKDONJSA-N 1 2 240.307 1.030 20 0 BDADLO CN(C)C(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640151962 358427715 /nfs/dbraw/zinc/42/77/15/358427715.db2.gz AGNRTLRAZQDFEJ-LLVKDONJSA-N 1 2 242.269 1.514 20 0 BDADLO CCNC(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640153195 358432692 /nfs/dbraw/zinc/43/26/92/358432692.db2.gz MSKZTKQZTRERFZ-NSHDSACASA-N 1 2 242.269 1.562 20 0 BDADLO CCc1nnc(C[NH+]2CCSCC2)o1 ZINC000047987454 358609103 /nfs/dbraw/zinc/60/91/03/358609103.db2.gz MWCWRWNNCATBKS-UHFFFAOYSA-N 1 2 213.306 1.181 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+](C)C2CCC2)n1 ZINC000175271368 134286389 /nfs/dbraw/zinc/28/63/89/134286389.db2.gz WNYOCNOARDQXRQ-QMMMGPOBSA-N 1 2 225.292 1.761 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+](C)C2CCC2)n1 ZINC000175271368 134286390 /nfs/dbraw/zinc/28/63/90/134286390.db2.gz WNYOCNOARDQXRQ-QMMMGPOBSA-N 1 2 225.292 1.761 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOCC2CC2)o1 ZINC000130826259 358649207 /nfs/dbraw/zinc/64/92/07/358649207.db2.gz JASTXIMNAOQEJV-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOCC2CC2)o1 ZINC000130826259 358649209 /nfs/dbraw/zinc/64/92/09/358649209.db2.gz JASTXIMNAOQEJV-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO CCC[N@H+](CCO)Cc1noc(C2CC2)n1 ZINC000048738993 358652104 /nfs/dbraw/zinc/65/21/04/358652104.db2.gz OAYPFVWFCVGCHT-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CCC[N@@H+](CCO)Cc1noc(C2CC2)n1 ZINC000048738993 358652106 /nfs/dbraw/zinc/65/21/06/358652106.db2.gz OAYPFVWFCVGCHT-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CNC(=O)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000049899867 358704699 /nfs/dbraw/zinc/70/46/99/358704699.db2.gz IVADSYGLYGLJAS-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](CO)C2)cc[nH+]1 ZINC000131730044 358692080 /nfs/dbraw/zinc/69/20/80/358692080.db2.gz ISEPZLGXOAJDAL-SNVBAGLBSA-N 1 2 221.304 1.419 20 0 BDADLO CC(C)CCc1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000132113276 358707930 /nfs/dbraw/zinc/70/79/30/358707930.db2.gz VCWXQNDMRXPTJU-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)CCc1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000132113276 358707932 /nfs/dbraw/zinc/70/79/32/358707932.db2.gz VCWXQNDMRXPTJU-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000050055127 358711940 /nfs/dbraw/zinc/71/19/40/358711940.db2.gz SEBKEZNSYCQPKF-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000050055127 358711942 /nfs/dbraw/zinc/71/19/42/358711942.db2.gz SEBKEZNSYCQPKF-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]2CO)no1 ZINC000050116953 358717092 /nfs/dbraw/zinc/71/70/92/358717092.db2.gz GEOOWAHTMZNHHC-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@H]2CO)no1 ZINC000050116953 358717096 /nfs/dbraw/zinc/71/70/96/358717096.db2.gz GEOOWAHTMZNHHC-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134145834 358781765 /nfs/dbraw/zinc/78/17/65/358781765.db2.gz MJXARGISGJLRPN-ZWNOBZJWSA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134145834 358781766 /nfs/dbraw/zinc/78/17/66/358781766.db2.gz MJXARGISGJLRPN-ZWNOBZJWSA-N 1 2 249.310 1.483 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000613675821 363618035 /nfs/dbraw/zinc/61/80/35/363618035.db2.gz SIIXMLHYWUZZRZ-QWRGUYRKSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(N)nc(SCc2nccc(N)n2)[nH+]1 ZINC000134494714 358791682 /nfs/dbraw/zinc/79/16/82/358791682.db2.gz QLBWWLKUKHZBJC-UHFFFAOYSA-N 1 2 248.315 1.032 20 0 BDADLO CCCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000135928489 358857365 /nfs/dbraw/zinc/85/73/65/358857365.db2.gz ZPCMFTGXGCNFPD-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CC(C)NC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000135386332 358835081 /nfs/dbraw/zinc/83/50/81/358835081.db2.gz HAHOKXWBVUXACL-UHFFFAOYSA-N 1 2 236.306 1.877 20 0 BDADLO CC(C)NC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000135386332 358835083 /nfs/dbraw/zinc/83/50/83/358835083.db2.gz HAHOKXWBVUXACL-UHFFFAOYSA-N 1 2 236.306 1.877 20 0 BDADLO C[C@H](Cc1nc(C2CC2)no1)n1cc[nH+]c1 ZINC000351395161 366521652 /nfs/dbraw/zinc/52/16/52/366521652.db2.gz CILWCEKHRGZZMK-MRVPVSSYSA-N 1 2 218.260 1.947 20 0 BDADLO C[C@@H](O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000136552122 358881637 /nfs/dbraw/zinc/88/16/37/358881637.db2.gz LLJZHKRAQLUPIC-MRVPVSSYSA-N 1 2 249.245 1.331 20 0 BDADLO Cc1cc(NC[C@H](C)O)nc(-c2ccncc2)[nH+]1 ZINC000057825039 358907333 /nfs/dbraw/zinc/90/73/33/358907333.db2.gz HPZXAYHGXUIWOI-JTQLQIEISA-N 1 2 244.298 1.640 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnccn2)C[C@@H](C)O1 ZINC000578321811 366509887 /nfs/dbraw/zinc/50/98/87/366509887.db2.gz JKZPRGCQJSYQGH-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnccn2)C[C@@H](C)O1 ZINC000578321811 366509890 /nfs/dbraw/zinc/50/98/90/366509890.db2.gz JKZPRGCQJSYQGH-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H](NC(=O)c1cccn1C)c1[nH]cc[nH+]1 ZINC000140537080 358922370 /nfs/dbraw/zinc/92/23/70/358922370.db2.gz VECBBUHJMIUTAZ-VIFPVBQESA-N 1 2 232.287 1.629 20 0 BDADLO CCc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351414171 366523367 /nfs/dbraw/zinc/52/33/67/366523367.db2.gz YAAVOHFFHYAFAJ-QMMMGPOBSA-N 1 2 206.249 1.632 20 0 BDADLO C[C@H]1CCN(C(=O)NC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000177561805 134300368 /nfs/dbraw/zinc/30/03/68/134300368.db2.gz LWHAUSUUMBIKMQ-JQWIXIFHSA-N 1 2 248.330 1.638 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccccc1O ZINC000070979084 359068011 /nfs/dbraw/zinc/06/80/11/359068011.db2.gz KWPNXCNIFQMCCC-UHFFFAOYSA-N 1 2 231.255 1.388 20 0 BDADLO Cc1ccc(F)c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070991202 359069971 /nfs/dbraw/zinc/06/99/71/359069971.db2.gz VCOYFGCXGSDYGQ-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO COc1ccccc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000070990451 359070384 /nfs/dbraw/zinc/07/03/84/359070384.db2.gz YAJMJFKCJKDAPT-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO Cc1cccc(OCC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990326 359070397 /nfs/dbraw/zinc/07/03/97/359070397.db2.gz KJIAXCILCPSQDH-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO CC(C)=CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000072840218 359091147 /nfs/dbraw/zinc/09/11/47/359091147.db2.gz YTZUJOIPFLYOMN-SNVBAGLBSA-N 1 2 217.334 1.072 20 0 BDADLO CC(C)=CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000072840218 359091148 /nfs/dbraw/zinc/09/11/48/359091148.db2.gz YTZUJOIPFLYOMN-SNVBAGLBSA-N 1 2 217.334 1.072 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000072802031 359091320 /nfs/dbraw/zinc/09/13/20/359091320.db2.gz WZXQRCMBGXOCCE-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000072802031 359091321 /nfs/dbraw/zinc/09/13/21/359091321.db2.gz WZXQRCMBGXOCCE-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO CNC(=O)COc1cc[nH+]c2cc(OC)ccc21 ZINC000072921124 359092749 /nfs/dbraw/zinc/09/27/49/359092749.db2.gz OIRNZVJIDRAYDU-UHFFFAOYSA-N 1 2 246.266 1.368 20 0 BDADLO O=C(COc1ccccc1)NCc1[nH]cc[nH+]1 ZINC000074828028 359130560 /nfs/dbraw/zinc/13/05/60/359130560.db2.gz VUYNGIHKFFJWHE-UHFFFAOYSA-N 1 2 231.255 1.105 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000247747318 359244048 /nfs/dbraw/zinc/24/40/48/359244048.db2.gz YHFGYRQYZGTELS-NXEZZACHSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H](C)O1 ZINC000247484351 359224205 /nfs/dbraw/zinc/22/42/05/359224205.db2.gz GABBLCMOXJAPSB-ZYHUDNBSSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H](C)O1 ZINC000247484351 359224211 /nfs/dbraw/zinc/22/42/11/359224211.db2.gz GABBLCMOXJAPSB-ZYHUDNBSSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(C(=O)NCCCCO)c2[nH+]ccn2c1 ZINC000626684869 359346260 /nfs/dbraw/zinc/34/62/60/359346260.db2.gz JVKCBSVDKGAUJB-UHFFFAOYSA-N 1 2 247.298 1.145 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000611651218 359410162 /nfs/dbraw/zinc/41/01/62/359410162.db2.gz OOIOFSUOFHOIDF-MXWKQRLJSA-N 1 2 247.342 1.629 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000611651218 359410168 /nfs/dbraw/zinc/41/01/68/359410168.db2.gz OOIOFSUOFHOIDF-MXWKQRLJSA-N 1 2 247.342 1.629 20 0 BDADLO OCc1ccc(NCc2nccs2)[nH+]c1 ZINC000308923849 491140340 /nfs/dbraw/zinc/14/03/40/491140340.db2.gz JUAMOBXLUVGETG-UHFFFAOYSA-N 1 2 221.285 1.643 20 0 BDADLO CO[C@@H](C(=O)NCc1[nH]c[nH+]c1C)C1CCC1 ZINC000611794495 359452415 /nfs/dbraw/zinc/45/24/15/359452415.db2.gz JDEJGOJAXJPDJZ-LLVKDONJSA-N 1 2 237.303 1.149 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000611934319 359481049 /nfs/dbraw/zinc/48/10/49/359481049.db2.gz CRYPDCKMXGYMEP-OUAUKWLOSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000611934319 359481052 /nfs/dbraw/zinc/48/10/52/359481052.db2.gz CRYPDCKMXGYMEP-OUAUKWLOSA-N 1 2 247.342 1.772 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1ccco1 ZINC000580464571 359568971 /nfs/dbraw/zinc/56/89/71/359568971.db2.gz STVDGGQNBJRTOJ-UHFFFAOYSA-N 1 2 233.271 1.355 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1[C@H](C)C[C@H]1C)CC2 ZINC000626725979 359583258 /nfs/dbraw/zinc/58/32/58/359583258.db2.gz KFEXIZDQNQKTKY-IJLUTSLNSA-N 1 2 247.342 1.763 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)CCCF ZINC000612055778 359627543 /nfs/dbraw/zinc/62/75/43/359627543.db2.gz IEBINYPCODXQFY-UHFFFAOYSA-N 1 2 239.294 1.860 20 0 BDADLO CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)[C@H](C)O ZINC000450797471 202267759 /nfs/dbraw/zinc/26/77/59/202267759.db2.gz NIYHFAKPDGEVDR-XVKPBYJWSA-N 1 2 234.303 1.838 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)[C@@H](C)O ZINC000450804253 202271227 /nfs/dbraw/zinc/27/12/27/202271227.db2.gz XWHILNYASPUMFE-ZJUUUORDSA-N 1 2 223.320 1.593 20 0 BDADLO CNC(=O)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000450850146 202287451 /nfs/dbraw/zinc/28/74/51/202287451.db2.gz UVVZNCHJJYBDMF-VIFPVBQESA-N 1 2 248.330 1.021 20 0 BDADLO FC(F)(F)Cn1cc[nH+]c1CN1CCOCC1 ZINC000057847755 359777270 /nfs/dbraw/zinc/77/72/70/359777270.db2.gz AXOPZCHZDVZATD-UHFFFAOYSA-N 1 2 249.236 1.278 20 0 BDADLO COc1ccc(NCc2csnn2)[nH+]c1 ZINC000309084981 491144206 /nfs/dbraw/zinc/14/42/06/491144206.db2.gz WCLOWPDVQLYANB-UHFFFAOYSA-N 1 2 222.273 1.554 20 0 BDADLO FC1(F)CC(COCc2[nH]cc[nH+]2)C1 ZINC000450892280 202301498 /nfs/dbraw/zinc/30/14/98/202301498.db2.gz CZXWGXWRWHTWEQ-UHFFFAOYSA-N 1 2 202.204 1.972 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450899006 202302518 /nfs/dbraw/zinc/30/25/18/202302518.db2.gz CSDWKMQIGHOVJC-BDAKNGLRSA-N 1 2 243.282 1.703 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450899006 202302521 /nfs/dbraw/zinc/30/25/21/202302521.db2.gz CSDWKMQIGHOVJC-BDAKNGLRSA-N 1 2 243.282 1.703 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000450919468 202309634 /nfs/dbraw/zinc/30/96/34/202309634.db2.gz YPHPCOFWPUYAMW-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CCC=C(C)C2)n1 ZINC000450919468 202309636 /nfs/dbraw/zinc/30/96/36/202309636.db2.gz YPHPCOFWPUYAMW-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO C[C@H]1C[C@@H](O)CN(c2cc[nH+]c3ccncc32)C1 ZINC000450947023 202315763 /nfs/dbraw/zinc/31/57/63/202315763.db2.gz XYKRXFNHDFZOJV-WDEREUQCSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nc(N2CC[C@H](CCCO)C2)cc[nH+]1 ZINC000450959206 202320921 /nfs/dbraw/zinc/32/09/21/202320921.db2.gz XQNARLKCCHSDFT-NSHDSACASA-N 1 2 221.304 1.384 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c(n2)CCC3)co1 ZINC000628511908 359824920 /nfs/dbraw/zinc/82/49/20/359824920.db2.gz ZRZHJTVUQQBKQJ-UHFFFAOYSA-N 1 2 229.283 1.848 20 0 BDADLO CCCc1nsc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000578476859 366576669 /nfs/dbraw/zinc/57/66/69/366576669.db2.gz HNNMKBRSSCBEAM-UHFFFAOYSA-N 1 2 249.343 1.748 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451180321 202370767 /nfs/dbraw/zinc/37/07/67/202370767.db2.gz CQBBSDIHBCGELL-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451180321 202370770 /nfs/dbraw/zinc/37/07/70/202370770.db2.gz CQBBSDIHBCGELL-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451191353 202371293 /nfs/dbraw/zinc/37/12/93/202371293.db2.gz RDMYHBLRUAVEMU-LPEHRKFASA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451191353 202371297 /nfs/dbraw/zinc/37/12/97/202371297.db2.gz RDMYHBLRUAVEMU-LPEHRKFASA-N 1 2 216.300 1.333 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)c1ccncc1 ZINC000309145359 491145616 /nfs/dbraw/zinc/14/56/16/491145616.db2.gz VAEFHBPOBQJXKU-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451195559 202377169 /nfs/dbraw/zinc/37/71/69/202377169.db2.gz XXWQVFYLROHMOM-IJLUTSLNSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451195559 202377173 /nfs/dbraw/zinc/37/71/73/202377173.db2.gz XXWQVFYLROHMOM-IJLUTSLNSA-N 1 2 242.338 1.725 20 0 BDADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](F)C1)C1CC1 ZINC000451192851 202377277 /nfs/dbraw/zinc/37/72/77/202377277.db2.gz TZNDNLQKSLXDJD-NSHDSACASA-N 1 2 242.338 1.677 20 0 BDADLO CC(C)CN(C(=O)C[N@H+]1CC[C@H](F)C1)C1CC1 ZINC000451192851 202377281 /nfs/dbraw/zinc/37/72/81/202377281.db2.gz TZNDNLQKSLXDJD-NSHDSACASA-N 1 2 242.338 1.677 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(O)CCCC1 ZINC000086537470 359885737 /nfs/dbraw/zinc/88/57/37/359885737.db2.gz HFIWPFQPSOGPNF-UHFFFAOYSA-N 1 2 236.271 1.334 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927299 359891513 /nfs/dbraw/zinc/89/15/13/359891513.db2.gz NRCVRIWDNYKVHS-RKDXNWHRSA-N 1 2 229.320 1.484 20 0 BDADLO CCN(Cc1[nH+]ccn1C(C)C)C1COC1 ZINC000451283119 202394751 /nfs/dbraw/zinc/39/47/51/202394751.db2.gz GUCOGMSGZVZXHI-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO O[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C1CCC1 ZINC000578725173 366632746 /nfs/dbraw/zinc/63/27/46/366632746.db2.gz CSNIDBQLYBCGLE-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO O[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C1CCC1 ZINC000578725173 366632749 /nfs/dbraw/zinc/63/27/49/366632749.db2.gz CSNIDBQLYBCGLE-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1C ZINC000088357794 359948738 /nfs/dbraw/zinc/94/87/38/359948738.db2.gz JIPMDXNWHSPXJW-GFCCVEGCSA-N 1 2 234.299 1.230 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1Cc2ccccc21 ZINC000088452444 359955601 /nfs/dbraw/zinc/95/56/01/359955601.db2.gz DMAXIORVPMXHQH-LBPRGKRZSA-N 1 2 241.294 1.708 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1ccccn1 ZINC000088589325 359968294 /nfs/dbraw/zinc/96/82/94/359968294.db2.gz UYYFYMGBDYFYIM-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO O=C(COc1ccccc1)NCc1c[nH+]c[nH]1 ZINC000088752951 359975364 /nfs/dbraw/zinc/97/53/64/359975364.db2.gz ABQBXSDAAOWCAE-UHFFFAOYSA-N 1 2 231.255 1.105 20 0 BDADLO O=C(COc1ccccc1)NCc1c[nH]c[nH+]1 ZINC000088752951 359975366 /nfs/dbraw/zinc/97/53/66/359975366.db2.gz ABQBXSDAAOWCAE-UHFFFAOYSA-N 1 2 231.255 1.105 20 0 BDADLO O=C(CSc1ccccc1)NCc1c[nH+]c[nH]1 ZINC000088753239 359975557 /nfs/dbraw/zinc/97/55/57/359975557.db2.gz IQIZXVKITVHLCL-UHFFFAOYSA-N 1 2 247.323 1.818 20 0 BDADLO O=C(CSc1ccccc1)NCc1c[nH]c[nH+]1 ZINC000088753239 359975560 /nfs/dbraw/zinc/97/55/60/359975560.db2.gz IQIZXVKITVHLCL-UHFFFAOYSA-N 1 2 247.323 1.818 20 0 BDADLO COCc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088759142 359977623 /nfs/dbraw/zinc/97/76/23/359977623.db2.gz QFPNOBMFLJUQNP-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO COCc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088759142 359977625 /nfs/dbraw/zinc/97/76/25/359977625.db2.gz QFPNOBMFLJUQNP-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccccn1 ZINC000088795704 359979675 /nfs/dbraw/zinc/97/96/75/359979675.db2.gz BZGDBSFMVLXERH-GFCCVEGCSA-N 1 2 234.299 1.465 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccccn1 ZINC000088795704 359979676 /nfs/dbraw/zinc/97/96/76/359979676.db2.gz BZGDBSFMVLXERH-GFCCVEGCSA-N 1 2 234.299 1.465 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612695450 360011258 /nfs/dbraw/zinc/01/12/58/360011258.db2.gz JMAUHRKXKIBFRU-NXEZZACHSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612695450 360011263 /nfs/dbraw/zinc/01/12/63/360011263.db2.gz JMAUHRKXKIBFRU-NXEZZACHSA-N 1 2 247.342 1.819 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC[C@@H]1C1CC1 ZINC000090009380 360054289 /nfs/dbraw/zinc/05/42/89/360054289.db2.gz DWDUWODQJFFHNW-GFCCVEGCSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1c[nH+]cc1CNc1cccnc1OC ZINC000090171169 360061464 /nfs/dbraw/zinc/06/14/64/360061464.db2.gz BRMKBENXZMEURI-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO O=c1sc2ccccc2n1CCn1cc[nH+]c1 ZINC000090368921 360070278 /nfs/dbraw/zinc/07/02/78/360070278.db2.gz HLUSUCHEGCYKRX-UHFFFAOYSA-N 1 2 245.307 1.960 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccnn1C ZINC000091812772 360131778 /nfs/dbraw/zinc/13/17/78/360131778.db2.gz RFEBKKHRMGWENU-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1ccnn1C ZINC000091812772 360131779 /nfs/dbraw/zinc/13/17/79/360131779.db2.gz RFEBKKHRMGWENU-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1cccn2c(CN3CCOC[C@H]3C)c[nH+]c12 ZINC000091810532 360131781 /nfs/dbraw/zinc/13/17/81/360131781.db2.gz JFHBUXQXGPKFDG-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3cc[nH]n3)CC2)no1 ZINC000092787959 360198630 /nfs/dbraw/zinc/19/86/30/360198630.db2.gz YRLPXFNBOHTEDU-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO C([NH2+][C@H]1CCCOC1)c1noc(C2CC2)n1 ZINC000309368998 491147582 /nfs/dbraw/zinc/14/75/82/491147582.db2.gz PZHGNSFKPNOUBN-VIFPVBQESA-N 1 2 223.276 1.216 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000093101734 360218059 /nfs/dbraw/zinc/21/80/59/360218059.db2.gz JJNSUYMCRSVBGN-CMPLNLGQSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000093101734 360218062 /nfs/dbraw/zinc/21/80/62/360218062.db2.gz JJNSUYMCRSVBGN-CMPLNLGQSA-N 1 2 248.326 1.725 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)n[nH]1 ZINC000093645880 360266136 /nfs/dbraw/zinc/26/61/36/360266136.db2.gz UDIRBKWZRLXTKK-LLVKDONJSA-N 1 2 207.277 1.021 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CC2)n[nH]1 ZINC000093645880 360266144 /nfs/dbraw/zinc/26/61/44/360266144.db2.gz UDIRBKWZRLXTKK-LLVKDONJSA-N 1 2 207.277 1.021 20 0 BDADLO NC(=O)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714525 181300403 /nfs/dbraw/zinc/30/04/03/181300403.db2.gz RGPICGZFISTKCA-UHFFFAOYSA-N 1 2 216.244 1.121 20 0 BDADLO O=C(Nc1ccccn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096785759 360354399 /nfs/dbraw/zinc/35/43/99/360354399.db2.gz OWYSISYGMMZHHB-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCCC1 ZINC000096643120 360351418 /nfs/dbraw/zinc/35/14/18/360351418.db2.gz IQOJJSAXAQXEPF-NSHDSACASA-N 1 2 233.315 1.458 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614150781 363736716 /nfs/dbraw/zinc/73/67/16/363736716.db2.gz CNBOPTNVAZLRCS-QISWUMQESA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614150781 363736719 /nfs/dbraw/zinc/73/67/19/363736719.db2.gz CNBOPTNVAZLRCS-QISWUMQESA-N 1 2 245.326 1.429 20 0 BDADLO CCc1cc(NCCC2CC(O)C2)nc[nH+]1 ZINC000309462089 491149729 /nfs/dbraw/zinc/14/97/29/491149729.db2.gz OEBRXUZQTLHSIK-UHFFFAOYSA-N 1 2 221.304 1.612 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(C1CC1)C1CC1 ZINC000628814826 360678558 /nfs/dbraw/zinc/67/85/58/360678558.db2.gz JDYQXFLPSOIPLK-JTQLQIEISA-N 1 2 245.326 1.599 20 0 BDADLO CCC(F)(F)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000628838670 360691692 /nfs/dbraw/zinc/69/16/92/360691692.db2.gz IMDFTTXHBDWHDX-VIFPVBQESA-N 1 2 245.273 1.996 20 0 BDADLO NC(=O)c1cccc(Nc2[nH+]cccc2N)c1 ZINC000082295286 181305599 /nfs/dbraw/zinc/30/55/99/181305599.db2.gz SWICUZVEMSBDBE-UHFFFAOYSA-N 1 2 228.255 1.506 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912230 360744797 /nfs/dbraw/zinc/74/47/97/360744797.db2.gz GAVWDRPBJVHEJG-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912230 360744799 /nfs/dbraw/zinc/74/47/99/360744799.db2.gz GAVWDRPBJVHEJG-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO Cn1nncc1C[NH2+]C1(C(F)F)CCCC1 ZINC000309546846 491151020 /nfs/dbraw/zinc/15/10/20/491151020.db2.gz CCALTKSYNNUZKM-UHFFFAOYSA-N 1 2 230.262 1.483 20 0 BDADLO CCCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628927293 360759747 /nfs/dbraw/zinc/75/97/47/360759747.db2.gz YLDKCIGFTCHOQE-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628927293 360759751 /nfs/dbraw/zinc/75/97/51/360759751.db2.gz YLDKCIGFTCHOQE-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO Cc1ncccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000628899378 360737906 /nfs/dbraw/zinc/73/79/06/360737906.db2.gz BJSBVNBMKKSBTQ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1ncccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000628899378 360737910 /nfs/dbraw/zinc/73/79/10/360737910.db2.gz BJSBVNBMKKSBTQ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000629032953 360814532 /nfs/dbraw/zinc/81/45/32/360814532.db2.gz QUUAEPNWKUQCDH-ZMWSMAPVSA-N 1 2 219.288 1.138 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](C)COCC)C(=O)OC ZINC000154629008 360842625 /nfs/dbraw/zinc/84/26/25/360842625.db2.gz FQHOBANFFOWMSR-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO C[C@]1(CNC(=O)Cn2cc[nH+]c2)C[C@H]2C[C@H]2C1 ZINC000629044398 360842992 /nfs/dbraw/zinc/84/29/92/360842992.db2.gz DBXFHCQBSBWTBE-PJXYFTJBSA-N 1 2 233.315 1.436 20 0 BDADLO c1c[nH+]c(COCCOC2CCOCC2)[nH]1 ZINC000629170814 360919298 /nfs/dbraw/zinc/91/92/98/360919298.db2.gz WTKHWILJUDFLDF-UHFFFAOYSA-N 1 2 226.276 1.122 20 0 BDADLO CCc1cc(NCc2cn[nH]n2)nc(C)[nH+]1 ZINC000309640493 491153369 /nfs/dbraw/zinc/15/33/69/491153369.db2.gz KQSCNMQLBCYJPH-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO CCc1cc(NCc2c[nH]nn2)nc(C)[nH+]1 ZINC000309640493 491153370 /nfs/dbraw/zinc/15/33/70/491153370.db2.gz KQSCNMQLBCYJPH-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO CCCNC(=O)CCNc1cc[nH+]cc1F ZINC000309654186 491153725 /nfs/dbraw/zinc/15/37/25/491153725.db2.gz PCKGXXWFFDQORP-UHFFFAOYSA-N 1 2 225.267 1.549 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccco1 ZINC000169798414 361132052 /nfs/dbraw/zinc/13/20/52/361132052.db2.gz BZRGQDABTZYCNB-SECBINFHSA-N 1 2 231.255 1.221 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000309736199 491155313 /nfs/dbraw/zinc/15/53/13/491155313.db2.gz CJKGZQPRQLWCMC-PWSUYJOCSA-N 1 2 223.320 1.765 20 0 BDADLO COc1ccc[nH+]c1NCCOC(C)C ZINC000159260619 361227767 /nfs/dbraw/zinc/22/77/67/361227767.db2.gz ZBLFBMFMESKHFB-UHFFFAOYSA-N 1 2 210.277 1.927 20 0 BDADLO O=C([C@@H]1CC12CCC2)N1CCn2c[nH+]cc2C1 ZINC000640454074 361230728 /nfs/dbraw/zinc/23/07/28/361230728.db2.gz CNDSDXWOKQHJCB-NSHDSACASA-N 1 2 231.299 1.416 20 0 BDADLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)c1ccccc1F ZINC000640487182 361274226 /nfs/dbraw/zinc/27/42/26/361274226.db2.gz PXVHFZDGNFXVCH-NOZJJQNGSA-N 1 2 235.258 1.075 20 0 BDADLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)c1ccccc1F ZINC000640487182 361274231 /nfs/dbraw/zinc/27/42/31/361274231.db2.gz PXVHFZDGNFXVCH-NOZJJQNGSA-N 1 2 235.258 1.075 20 0 BDADLO Cc1nocc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000640484261 361275090 /nfs/dbraw/zinc/27/50/90/361275090.db2.gz UYXAPEPBVIWCEP-UHFFFAOYSA-N 1 2 237.303 1.653 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2csnn2)[nH+]c1C ZINC000579006038 366694368 /nfs/dbraw/zinc/69/43/68/366694368.db2.gz KKKBLZZIZLWGAO-MRVPVSSYSA-N 1 2 237.332 1.729 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640477755 361253682 /nfs/dbraw/zinc/25/36/82/361253682.db2.gz TVVRBDWWOQLQPS-YGOYTEALSA-N 1 2 237.303 1.321 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640477755 361253687 /nfs/dbraw/zinc/25/36/87/361253687.db2.gz TVVRBDWWOQLQPS-YGOYTEALSA-N 1 2 237.303 1.321 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000640480836 361264499 /nfs/dbraw/zinc/26/44/99/361264499.db2.gz JKPFRWPYMJDDIA-BXKDBHETSA-N 1 2 220.272 1.119 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000640480836 361264501 /nfs/dbraw/zinc/26/45/01/361264501.db2.gz JKPFRWPYMJDDIA-BXKDBHETSA-N 1 2 220.272 1.119 20 0 BDADLO Cn1c[nH+]cc1CSCCC(C)(C)O ZINC000579130078 366720442 /nfs/dbraw/zinc/72/04/42/366720442.db2.gz PIKOYMUBLPLWFW-UHFFFAOYSA-N 1 2 214.334 1.814 20 0 BDADLO COCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579023621 366698431 /nfs/dbraw/zinc/69/84/31/366698431.db2.gz VCFSYUXZTVTYFE-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO COCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579023621 366698437 /nfs/dbraw/zinc/69/84/37/366698437.db2.gz VCFSYUXZTVTYFE-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)ncn1 ZINC000428393233 201010523 /nfs/dbraw/zinc/01/05/23/201010523.db2.gz NDPAWQFIBWCBLF-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)ncn1 ZINC000428393233 201010525 /nfs/dbraw/zinc/01/05/25/201010525.db2.gz NDPAWQFIBWCBLF-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO CCCc1nc(C)c(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000428350933 201012264 /nfs/dbraw/zinc/01/22/64/201012264.db2.gz ZRKVFBRHMZSGGZ-UHFFFAOYSA-N 1 2 237.303 1.043 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000428456388 201020854 /nfs/dbraw/zinc/02/08/54/201020854.db2.gz VHZBJSXZHJOETB-NSHDSACASA-N 1 2 235.331 1.957 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCOC(C)(C)C2)cn1 ZINC000428456388 201020855 /nfs/dbraw/zinc/02/08/55/201020855.db2.gz VHZBJSXZHJOETB-NSHDSACASA-N 1 2 235.331 1.957 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000428488228 201025394 /nfs/dbraw/zinc/02/53/94/201025394.db2.gz VAFIQWZSCBINNF-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C)nc1 ZINC000428488228 201025397 /nfs/dbraw/zinc/02/53/97/201025397.db2.gz VAFIQWZSCBINNF-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO Nc1ccc(NC(=O)COC2CCCC2)c[nH+]1 ZINC000428898356 201048238 /nfs/dbraw/zinc/04/82/38/201048238.db2.gz AHRGCVKLQAIUPO-UHFFFAOYSA-N 1 2 235.287 1.392 20 0 BDADLO CC1(CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000614233928 363752535 /nfs/dbraw/zinc/75/25/35/363752535.db2.gz HNNLVYFTWOYGEH-JTQLQIEISA-N 1 2 247.342 1.821 20 0 BDADLO CC1(CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000614233928 363752541 /nfs/dbraw/zinc/75/25/41/363752541.db2.gz HNNLVYFTWOYGEH-JTQLQIEISA-N 1 2 247.342 1.821 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C)CC1 ZINC000614234219 363752595 /nfs/dbraw/zinc/75/25/95/363752595.db2.gz MKBZBVHWCCSRSG-GHMZBOCLSA-N 1 2 247.342 1.830 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(N)=O ZINC000309798190 491156725 /nfs/dbraw/zinc/15/67/25/491156725.db2.gz QQJOKFNCLAPXHY-ZETCQYMHSA-N 1 2 222.292 1.060 20 0 BDADLO CC[C@@](C)(CO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275335 363767276 /nfs/dbraw/zinc/76/72/76/363767276.db2.gz IRQBAGRCYIOTDV-ZDUSSCGKSA-N 1 2 247.298 1.681 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](COC(F)F)C2)[nH]1 ZINC000428977530 201056072 /nfs/dbraw/zinc/05/60/72/201056072.db2.gz JBNYLGXSNWBNHQ-MRVPVSSYSA-N 1 2 246.261 1.174 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](COC(F)F)C2)[nH]1 ZINC000428977530 201056075 /nfs/dbraw/zinc/05/60/75/201056075.db2.gz JBNYLGXSNWBNHQ-MRVPVSSYSA-N 1 2 246.261 1.174 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)[nH]1 ZINC000428966526 201056165 /nfs/dbraw/zinc/05/61/65/201056165.db2.gz KNXZYQRWGYCHHU-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](CO)[C@@H]2C)[nH]1 ZINC000428966526 201056166 /nfs/dbraw/zinc/05/61/66/201056166.db2.gz KNXZYQRWGYCHHU-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccnn2C)cn1 ZINC000428987330 201058251 /nfs/dbraw/zinc/05/82/51/201058251.db2.gz UTPALGOOQDKFDH-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccnn2C)cn1 ZINC000428987330 201058254 /nfs/dbraw/zinc/05/82/54/201058254.db2.gz UTPALGOOQDKFDH-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614245096 363759569 /nfs/dbraw/zinc/75/95/69/363759569.db2.gz OLVHXKQSDRWLSX-LMLFDSFASA-N 1 2 233.315 1.533 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CCn1cccn1 ZINC000429274607 201088871 /nfs/dbraw/zinc/08/88/71/201088871.db2.gz OZFIOOVTQLJIAU-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CCn1cccn1 ZINC000429274607 201088872 /nfs/dbraw/zinc/08/88/72/201088872.db2.gz OZFIOOVTQLJIAU-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO COCCC[N@H+](C)Cc1nncn1C(C)C ZINC000429284451 201091195 /nfs/dbraw/zinc/09/11/95/201091195.db2.gz CXFXJZXCHLYKQI-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO COCCC[N@@H+](C)Cc1nncn1C(C)C ZINC000429284451 201091198 /nfs/dbraw/zinc/09/11/98/201091198.db2.gz CXFXJZXCHLYKQI-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CCCc1nc(C[N@H+](C)C(C)(C)COC)no1 ZINC000429238268 201083379 /nfs/dbraw/zinc/08/33/79/201083379.db2.gz YSSGUTOAPGYZHC-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1nc(C[N@@H+](C)C(C)(C)COC)no1 ZINC000429238268 201083381 /nfs/dbraw/zinc/08/33/81/201083381.db2.gz YSSGUTOAPGYZHC-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)no1 ZINC000429238837 201083851 /nfs/dbraw/zinc/08/38/51/201083851.db2.gz SBNHVSAYRXRGFO-SNVBAGLBSA-N 1 2 245.282 1.341 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000579271561 366753292 /nfs/dbraw/zinc/75/32/92/366753292.db2.gz FPSVHTHITRRVNA-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO CC1(CC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000429471809 201109893 /nfs/dbraw/zinc/10/98/93/201109893.db2.gz OKYAEZKIGPIRKH-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579343078 366762800 /nfs/dbraw/zinc/76/28/00/366762800.db2.gz LJEVVNZCLOVTNJ-POYBYMJQSA-N 1 2 245.373 1.011 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCCC[C@H]2OC)no1 ZINC000429537754 201112956 /nfs/dbraw/zinc/11/29/56/201112956.db2.gz NIZKWWASDUXJAS-VHSXEESVSA-N 1 2 239.319 1.679 20 0 BDADLO CCc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000429293066 201097067 /nfs/dbraw/zinc/09/70/67/201097067.db2.gz KKNCAZDJDYZZSH-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CCc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000429293066 201097070 /nfs/dbraw/zinc/09/70/70/201097070.db2.gz KKNCAZDJDYZZSH-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429315890 201097502 /nfs/dbraw/zinc/09/75/02/201097502.db2.gz HDPPIQXVEBITTP-WPRPVWTQSA-N 1 2 235.283 1.011 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429297943 201099917 /nfs/dbraw/zinc/09/99/17/201099917.db2.gz CSCGWCNRSGGHEV-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000429297943 201099921 /nfs/dbraw/zinc/09/99/21/201099921.db2.gz CSCGWCNRSGGHEV-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429317081 201100212 /nfs/dbraw/zinc/10/02/12/201100212.db2.gz JKPUWVXYTXRNMP-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000429317081 201100215 /nfs/dbraw/zinc/10/02/15/201100215.db2.gz JKPUWVXYTXRNMP-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1nnc(NCc2cccc3[nH+]ccn32)o1 ZINC000181493082 366815137 /nfs/dbraw/zinc/81/51/37/366815137.db2.gz UNOCDDKHMHGONT-UHFFFAOYSA-N 1 2 229.243 1.638 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1CCOCC1 ZINC000070160914 361472141 /nfs/dbraw/zinc/47/21/41/361472141.db2.gz YWWUFTMDUCNFGH-UHFFFAOYSA-N 1 2 247.302 1.202 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](SC)C2)no1 ZINC000448545873 201198306 /nfs/dbraw/zinc/19/83/06/201198306.db2.gz NYQNZXPWPFFINX-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](SC)C2)no1 ZINC000448545873 201198308 /nfs/dbraw/zinc/19/83/08/201198308.db2.gz NYQNZXPWPFFINX-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000448545749 201198353 /nfs/dbraw/zinc/19/83/53/201198353.db2.gz LDYOOOXLOXKKRM-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000448545749 201198355 /nfs/dbraw/zinc/19/83/55/201198355.db2.gz LDYOOOXLOXKKRM-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO NC(=O)C1([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000152408701 201199508 /nfs/dbraw/zinc/19/95/08/201199508.db2.gz DHXHLXMZANXJEX-UHFFFAOYSA-N 1 2 242.681 1.587 20 0 BDADLO CCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000434018577 201202598 /nfs/dbraw/zinc/20/25/98/201202598.db2.gz PTMJGXZUJMJMND-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO COC1(C)CN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000433767250 201191675 /nfs/dbraw/zinc/19/16/75/201191675.db2.gz UTUUECPHBCRDMH-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO COC1(C)CN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000433767250 201191679 /nfs/dbraw/zinc/19/16/79/201191679.db2.gz UTUUECPHBCRDMH-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO CCOC(=O)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000152833562 201210086 /nfs/dbraw/zinc/21/00/86/201210086.db2.gz WYRDQNYGKFOPLY-MRVPVSSYSA-N 1 2 223.276 1.539 20 0 BDADLO COC1CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC000434541559 201225879 /nfs/dbraw/zinc/22/58/79/201225879.db2.gz VDGDAHFFAOQWAK-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO CCNc1ccc(-c2cnn(C)c2)c[nH+]1 ZINC000629689845 361623943 /nfs/dbraw/zinc/62/39/43/361623943.db2.gz BETFMMGZKLHNQH-UHFFFAOYSA-N 1 2 202.261 1.336 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000154452170 201279980 /nfs/dbraw/zinc/27/99/80/201279980.db2.gz VSAUSBXLUZJQSM-VIFPVBQESA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000154452170 201279982 /nfs/dbraw/zinc/27/99/82/201279982.db2.gz VSAUSBXLUZJQSM-VIFPVBQESA-N 1 2 227.333 1.273 20 0 BDADLO Cc1oncc1-c1ccc(N[C@@H](C)CO)[nH+]c1 ZINC000629713162 361652382 /nfs/dbraw/zinc/65/23/82/361652382.db2.gz ICEHRRKKUGYMBQ-QMMMGPOBSA-N 1 2 233.271 1.838 20 0 BDADLO COCc1noc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000436269730 201317186 /nfs/dbraw/zinc/31/71/86/201317186.db2.gz YXVNYYFPSUZQAS-UHFFFAOYSA-N 1 2 223.276 1.368 20 0 BDADLO COCc1noc(C[N@H+]2CCC=C(C)C2)n1 ZINC000436269730 201317191 /nfs/dbraw/zinc/31/71/91/201317191.db2.gz YXVNYYFPSUZQAS-UHFFFAOYSA-N 1 2 223.276 1.368 20 0 BDADLO CC1=C(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC1 ZINC000437178146 201346225 /nfs/dbraw/zinc/34/62/25/201346225.db2.gz WAOVNFQNIWXXDN-LLVKDONJSA-N 1 2 233.315 1.888 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC12CC2 ZINC000629831075 361727713 /nfs/dbraw/zinc/72/77/13/361727713.db2.gz GXBMXCXTVHUGIK-LBPRGKRZSA-N 1 2 247.342 1.970 20 0 BDADLO COc1cc(NCc2[nH]c(C)c(C)[nH+]2)[nH]n1 ZINC000623628373 363855366 /nfs/dbraw/zinc/85/53/66/363855366.db2.gz JHPKXOZFHYBMQA-UHFFFAOYSA-N 1 2 221.264 1.370 20 0 BDADLO FC(F)CN1CCC[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000623626311 363839127 /nfs/dbraw/zinc/83/91/27/363839127.db2.gz RLRSWQVTAPXUAW-SNVBAGLBSA-N 1 2 244.289 1.229 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccnn1C ZINC000622081827 370697851 /nfs/dbraw/zinc/69/78/51/370697851.db2.gz DFWOHJICHYVEOX-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO CCOCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000622082976 370699335 /nfs/dbraw/zinc/69/93/35/370699335.db2.gz VLDPDIBQWGSDKE-VIFPVBQESA-N 1 2 225.292 1.117 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccncn1 ZINC000622083942 370700016 /nfs/dbraw/zinc/70/00/16/370700016.db2.gz OZZYVAPMKXMZPJ-VIFPVBQESA-N 1 2 245.286 1.184 20 0 BDADLO COCC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000079981648 370711239 /nfs/dbraw/zinc/71/12/39/370711239.db2.gz LXWXQAAECFYAKF-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO CC(C)(C(=O)Nc1cc(F)ccn1)c1c[nH+]c[nH]1 ZINC000622152600 370738894 /nfs/dbraw/zinc/73/88/94/370738894.db2.gz OPEKZHDFOFSJKH-UHFFFAOYSA-N 1 2 248.261 1.860 20 0 BDADLO CC(C)(C(=O)Nc1cc(F)ccn1)c1c[nH]c[nH+]1 ZINC000622152600 370738895 /nfs/dbraw/zinc/73/88/95/370738895.db2.gz OPEKZHDFOFSJKH-UHFFFAOYSA-N 1 2 248.261 1.860 20 0 BDADLO C[C@H](C(=O)C1CC1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000630605560 364335740 /nfs/dbraw/zinc/33/57/40/364335740.db2.gz LQSPVRKLDOKPJG-SECBINFHSA-N 1 2 245.286 1.063 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]1C(F)(F)F ZINC000615028045 364394889 /nfs/dbraw/zinc/39/48/89/364394889.db2.gz VZWGLJKEBBWFDX-SSDOTTSWSA-N 1 2 233.193 1.046 20 0 BDADLO COc1cc(NC(=O)Cc2c[nH+]cn2C)ccn1 ZINC000615005644 364344849 /nfs/dbraw/zinc/34/48/49/364344849.db2.gz GQFJVKAOZJLXNU-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)O)C2)no1 ZINC000579531336 366846854 /nfs/dbraw/zinc/84/68/54/366846854.db2.gz YMFBBZIKOVLJQT-NGZCFLSTSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H]([C@@H](C)O)C2)no1 ZINC000579531336 366846856 /nfs/dbraw/zinc/84/68/56/366846856.db2.gz YMFBBZIKOVLJQT-NGZCFLSTSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1ccc(NC(=O)C2CSC2)c(C)[nH+]1 ZINC000631743379 364554879 /nfs/dbraw/zinc/55/48/79/364554879.db2.gz SMCGPJKDKRRXSX-UHFFFAOYSA-N 1 2 222.313 2.000 20 0 BDADLO CCC(F)(F)CNC(=O)NCc1[nH+]ccn1C ZINC000623632825 364680190 /nfs/dbraw/zinc/68/01/90/364680190.db2.gz PZKJKNUAKBIOKZ-UHFFFAOYSA-N 1 2 246.261 1.265 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000615362375 364731208 /nfs/dbraw/zinc/73/12/08/364731208.db2.gz GNTZJQKSGQVRAX-UTLUCORTSA-N 1 2 233.315 1.381 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000615362375 364731214 /nfs/dbraw/zinc/73/12/14/364731214.db2.gz GNTZJQKSGQVRAX-UTLUCORTSA-N 1 2 233.315 1.381 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1C[C@@H]1C ZINC000167382202 364791903 /nfs/dbraw/zinc/79/19/03/364791903.db2.gz CMPAEUVRALNYBD-NKWVEPMBSA-N 1 2 208.265 1.135 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1C[C@@H]1C ZINC000167382202 364791906 /nfs/dbraw/zinc/79/19/06/364791906.db2.gz CMPAEUVRALNYBD-NKWVEPMBSA-N 1 2 208.265 1.135 20 0 BDADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(C)n1 ZINC000573302493 364792725 /nfs/dbraw/zinc/79/27/25/364792725.db2.gz PMVVOXMGYJVEBF-UHFFFAOYSA-N 1 2 230.271 1.534 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSCC1 ZINC000573503012 364850162 /nfs/dbraw/zinc/85/01/62/364850162.db2.gz HKGOLZGJRXDBTQ-SECBINFHSA-N 1 2 239.344 1.164 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSCC1 ZINC000573503012 364850166 /nfs/dbraw/zinc/85/01/66/364850166.db2.gz HKGOLZGJRXDBTQ-SECBINFHSA-N 1 2 239.344 1.164 20 0 BDADLO Cn1cc(CC[N@@H+]2Cc3cccnc3C2)cn1 ZINC000573438703 364832224 /nfs/dbraw/zinc/83/22/24/364832224.db2.gz JLYWTCYVPUBFLY-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1cc(CC[N@H+]2Cc3cccnc3C2)cn1 ZINC000573438703 364832226 /nfs/dbraw/zinc/83/22/26/364832226.db2.gz JLYWTCYVPUBFLY-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)C(C)(F)F)c1[nH]cc[nH+]1 ZINC000328527053 364865938 /nfs/dbraw/zinc/86/59/38/364865938.db2.gz UZGITPXFDOEAKE-NKWVEPMBSA-N 1 2 231.246 1.878 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC(OCC(F)F)C1 ZINC000573697876 364896607 /nfs/dbraw/zinc/89/66/07/364896607.db2.gz ZNFWGYQLZKGEIX-UHFFFAOYSA-N 1 2 243.257 1.564 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1Cc2ccccc2C1 ZINC000236396566 541396578 /nfs/dbraw/zinc/39/65/78/541396578.db2.gz JHZICIGUBXCNEX-UHFFFAOYSA-N 1 2 241.294 1.441 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1Cc2ccccc2C1 ZINC000236396566 541396583 /nfs/dbraw/zinc/39/65/83/541396583.db2.gz JHZICIGUBXCNEX-UHFFFAOYSA-N 1 2 241.294 1.441 20 0 BDADLO Cc1co[nH]c1=NCc1c[nH+]cn1C(C)C ZINC000573835589 364926906 /nfs/dbraw/zinc/92/69/06/364926906.db2.gz RSMSQNQVHJOTJP-UHFFFAOYSA-N 1 2 220.276 1.794 20 0 BDADLO CC[C@H](SC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573855564 364931698 /nfs/dbraw/zinc/93/16/98/364931698.db2.gz MLBRVIMUZPDHPK-QMMMGPOBSA-N 1 2 241.360 1.903 20 0 BDADLO CC1=CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000334937667 541418682 /nfs/dbraw/zinc/41/86/82/541418682.db2.gz LHPXIECHBXQUPM-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO CC1=CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000334937667 541418688 /nfs/dbraw/zinc/41/86/88/541418688.db2.gz LHPXIECHBXQUPM-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015258 541424495 /nfs/dbraw/zinc/42/44/95/541424495.db2.gz QFKUQWPUBBHZGX-UWVGGRQHSA-N 1 2 221.304 1.473 20 0 BDADLO Cn1cc(NC(=O)Cn2cc[nH+]c2)c(C2CC2)n1 ZINC000574335185 365039408 /nfs/dbraw/zinc/03/94/08/365039408.db2.gz JIBSXZDFJRAARL-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO COC(C)(C)c1noc(Cn2cc[nH+]c2)n1 ZINC000574375040 365047000 /nfs/dbraw/zinc/04/70/00/365047000.db2.gz GBEHCFFPJNUREU-UHFFFAOYSA-N 1 2 222.248 1.196 20 0 BDADLO Cc1[nH]c2ccc(Cn3ncsc3=O)cc2[nH+]1 ZINC000442909673 193003978 /nfs/dbraw/zinc/00/39/78/193003978.db2.gz TVLHNCYLSDLUDF-UHFFFAOYSA-N 1 2 246.295 1.538 20 0 BDADLO Cc1[nH]c2cc(Cn3ncsc3=O)ccc2[nH+]1 ZINC000442909673 193003980 /nfs/dbraw/zinc/00/39/80/193003980.db2.gz TVLHNCYLSDLUDF-UHFFFAOYSA-N 1 2 246.295 1.538 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000574773366 365142528 /nfs/dbraw/zinc/14/25/28/365142528.db2.gz XUUKDRMQUUHUNH-CMPLNLGQSA-N 1 2 221.304 1.434 20 0 BDADLO CC[C@@H](F)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000443066480 193012012 /nfs/dbraw/zinc/01/20/12/193012012.db2.gz FFPMDROWPTZQPV-MRVPVSSYSA-N 1 2 234.296 1.083 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCS[C@H](C)C1 ZINC000171686025 365224873 /nfs/dbraw/zinc/22/48/73/365224873.db2.gz JVLVUKYSWHWZBV-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO CCn1ccnc1C[N@H+]1CCS[C@H](C)C1 ZINC000171686025 365224877 /nfs/dbraw/zinc/22/48/77/365224877.db2.gz JVLVUKYSWHWZBV-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO CO[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000444078503 193034180 /nfs/dbraw/zinc/03/41/80/193034180.db2.gz DJUROCMYPNRLTF-SNVBAGLBSA-N 1 2 229.283 1.855 20 0 BDADLO C[C@@H](NC(=O)[C@H]1[C@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000575071961 365189151 /nfs/dbraw/zinc/18/91/51/365189151.db2.gz MTLHYTUZPMUHLL-RRKCRQDMSA-N 1 2 229.230 1.488 20 0 BDADLO C[C@H](O)C1CC[NH+](Cc2cscn2)CC1 ZINC000171968999 365264548 /nfs/dbraw/zinc/26/45/48/365264548.db2.gz ZVLMFMQGOZKRGD-VIFPVBQESA-N 1 2 226.345 1.736 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2ncccn2)cn1 ZINC000575332220 365293718 /nfs/dbraw/zinc/29/37/18/365293718.db2.gz QQRONLBOLLJTQM-UHFFFAOYSA-N 1 2 245.330 1.718 20 0 BDADLO Cc1n[nH]cc1CCCNc1nc(C)[nH+]cc1C ZINC000575372455 365302645 /nfs/dbraw/zinc/30/26/45/365302645.db2.gz LIIDYORTURLPCT-UHFFFAOYSA-N 1 2 245.330 1.592 20 0 BDADLO Cc1cc[nH]c1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000575412693 365314153 /nfs/dbraw/zinc/31/41/53/365314153.db2.gz JUZBSTJFVGODIQ-UHFFFAOYSA-N 1 2 232.287 1.711 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000182228042 366877477 /nfs/dbraw/zinc/87/74/77/366877477.db2.gz IVNJOMSTVYYEBH-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)CC[NH+]1CC(C(F)(F)F)C1 ZINC000575906909 365410542 /nfs/dbraw/zinc/41/05/42/365410542.db2.gz SDOJVXIHXMEPNV-UHFFFAOYSA-N 1 2 211.183 1.044 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@](C)(O)CC1 ZINC000576052521 365466064 /nfs/dbraw/zinc/46/60/64/365466064.db2.gz NLDSAYGGEGKGBP-ZDUSSCGKSA-N 1 2 235.331 1.835 20 0 BDADLO COC[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579600039 366900801 /nfs/dbraw/zinc/90/08/01/366900801.db2.gz IORVSBPJUPISIS-QWRGUYRKSA-N 1 2 239.319 1.233 20 0 BDADLO CC(C)n1nccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000576121746 365494454 /nfs/dbraw/zinc/49/44/54/365494454.db2.gz LLGNZPSAPIDTLM-SECBINFHSA-N 1 2 247.302 1.678 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)c1ccnn1C)c1[nH]cc[nH+]1 ZINC000579731850 366996275 /nfs/dbraw/zinc/99/62/75/366996275.db2.gz ORALRBYRVAEOHT-RKDXNWHRSA-N 1 2 247.302 1.124 20 0 BDADLO CC(C)[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000440504347 201483167 /nfs/dbraw/zinc/48/31/67/201483167.db2.gz WNFJIEACSOGYMD-JTQLQIEISA-N 1 2 223.324 1.078 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000440504347 201483171 /nfs/dbraw/zinc/48/31/71/201483171.db2.gz WNFJIEACSOGYMD-JTQLQIEISA-N 1 2 223.324 1.078 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCO1)C1CC1 ZINC000579816391 367018985 /nfs/dbraw/zinc/01/89/85/367018985.db2.gz BWCNCDTZSRBSEO-GHMZBOCLSA-N 1 2 249.314 1.166 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccon1 ZINC000579856174 367054118 /nfs/dbraw/zinc/05/41/18/367054118.db2.gz IWBBWYXVYHBGOB-RKDXNWHRSA-N 1 2 248.286 1.454 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccon1 ZINC000579856174 367054121 /nfs/dbraw/zinc/05/41/21/367054121.db2.gz IWBBWYXVYHBGOB-RKDXNWHRSA-N 1 2 248.286 1.454 20 0 BDADLO CC[N@@H+](CC1=CCCOC1)CC(F)F ZINC000184086655 367063047 /nfs/dbraw/zinc/06/30/47/367063047.db2.gz GGOSEOFZNJPPHB-UHFFFAOYSA-N 1 2 205.248 1.920 20 0 BDADLO CC[N@H+](CC1=CCCOC1)CC(F)F ZINC000184086655 367063049 /nfs/dbraw/zinc/06/30/49/367063049.db2.gz GGOSEOFZNJPPHB-UHFFFAOYSA-N 1 2 205.248 1.920 20 0 BDADLO Cc1cc(NC(=O)N2CCO[C@@H](C)C2)c(C)c[nH+]1 ZINC000579919793 367080947 /nfs/dbraw/zinc/08/09/47/367080947.db2.gz SLLJUMOXWJHLIQ-NSHDSACASA-N 1 2 249.314 1.373 20 0 BDADLO CCN(c1cc[nH+]c(C(C)C)n1)[C@H]1CCNC1=O ZINC000579913344 367075939 /nfs/dbraw/zinc/07/59/39/367075939.db2.gz FFCNYPCMQXHUKK-JTQLQIEISA-N 1 2 248.330 1.315 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCc1ccncc1)C1CC1 ZINC000580008526 367121597 /nfs/dbraw/zinc/12/15/97/367121597.db2.gz OWTYDVWIKHPSAR-CQSZACIVSA-N 1 2 248.326 1.555 20 0 BDADLO Cc1ccc(CN2C(=O)CC(C)CC2=O)c(C)[nH+]1 ZINC000185397074 367130427 /nfs/dbraw/zinc/13/04/27/367130427.db2.gz ASKZYNATMKYTJY-UHFFFAOYSA-N 1 2 246.310 1.984 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000622308062 370835938 /nfs/dbraw/zinc/83/59/38/370835938.db2.gz UOBIGJPAKDWDBN-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000622308062 370835942 /nfs/dbraw/zinc/83/59/42/370835942.db2.gz UOBIGJPAKDWDBN-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO COC[C@@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000380258736 367164151 /nfs/dbraw/zinc/16/41/51/367164151.db2.gz RXYQJFMFSUJBPC-QMMMGPOBSA-N 1 2 225.292 1.007 20 0 BDADLO CC(C)N(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000580784015 367166105 /nfs/dbraw/zinc/16/61/05/367166105.db2.gz XLMBYVAVWKXLDT-JTQLQIEISA-N 1 2 235.331 1.988 20 0 BDADLO CC(C)N(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000580784015 367166108 /nfs/dbraw/zinc/16/61/08/367166108.db2.gz XLMBYVAVWKXLDT-JTQLQIEISA-N 1 2 235.331 1.988 20 0 BDADLO C[C@H](Cc1ccncc1)NC(=O)Cn1cc[nH+]c1 ZINC000581165400 367279754 /nfs/dbraw/zinc/27/97/54/367279754.db2.gz WWVZQUUKUASJFE-LLVKDONJSA-N 1 2 244.298 1.026 20 0 BDADLO COc1c(N)[nH+]cnc1NCCSC(C)C ZINC000380539484 367235667 /nfs/dbraw/zinc/23/56/67/367235667.db2.gz GUKXIPQMOLSINC-UHFFFAOYSA-N 1 2 242.348 1.043 20 0 BDADLO COc1c(N)nc[nH+]c1NCCSC(C)C ZINC000380539484 367235670 /nfs/dbraw/zinc/23/56/70/367235670.db2.gz GUKXIPQMOLSINC-UHFFFAOYSA-N 1 2 242.348 1.043 20 0 BDADLO C[C@@H](NC(=O)C1(C(=O)C2CC2)CC1)c1[nH]cc[nH+]1 ZINC000581022393 367240135 /nfs/dbraw/zinc/24/01/35/367240135.db2.gz UGCFPQGFKVGNNQ-MRVPVSSYSA-N 1 2 247.298 1.346 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000194544116 367303619 /nfs/dbraw/zinc/30/36/19/367303619.db2.gz NONMAUYPIYOSHO-SNVBAGLBSA-N 1 2 237.299 1.861 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000194544116 367303623 /nfs/dbraw/zinc/30/36/23/367303623.db2.gz NONMAUYPIYOSHO-SNVBAGLBSA-N 1 2 237.299 1.861 20 0 BDADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000581259803 367311816 /nfs/dbraw/zinc/31/18/16/367311816.db2.gz VCNUVIHCXDYAPS-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000581259803 367311826 /nfs/dbraw/zinc/31/18/26/367311826.db2.gz VCNUVIHCXDYAPS-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO Cn1c[nH+]c(CCN=c2nc(C(C)(C)C)o[nH]2)c1 ZINC000581356844 367382365 /nfs/dbraw/zinc/38/23/65/367382365.db2.gz LFCWTIVXCRVRLO-UHFFFAOYSA-N 1 2 249.318 1.177 20 0 BDADLO C[C@@H](NCc1ncccc1F)c1[nH]cc[nH+]1 ZINC000381355951 367386616 /nfs/dbraw/zinc/38/66/16/367386616.db2.gz CSFMLNDAWZVOJS-MRVPVSSYSA-N 1 2 220.251 1.795 20 0 BDADLO C[C@H]([NH2+]CC1(F)CC1)c1nnc2n1CCC2 ZINC000381494763 367419340 /nfs/dbraw/zinc/41/93/40/367419340.db2.gz ZUEVJVSMTADSKC-QMMMGPOBSA-N 1 2 224.283 1.377 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ncccc1F ZINC000382428230 367520257 /nfs/dbraw/zinc/52/02/57/367520257.db2.gz YYOYMFSOSHDYDS-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CC(C)(C)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000581626246 367640461 /nfs/dbraw/zinc/64/04/61/367640461.db2.gz BBSNKAAVHHBMMN-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581675267 367704593 /nfs/dbraw/zinc/70/45/93/367704593.db2.gz MTSFNSRUADBALZ-IUCAKERBSA-N 1 2 241.360 1.456 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581675267 367704601 /nfs/dbraw/zinc/70/46/01/367704601.db2.gz MTSFNSRUADBALZ-IUCAKERBSA-N 1 2 241.360 1.456 20 0 BDADLO C[C@H](CCCO)CNc1[nH+]cnc2c1cnn2C ZINC000384448586 367691624 /nfs/dbraw/zinc/69/16/24/367691624.db2.gz GHIFHHSIKBXFPF-SECBINFHSA-N 1 2 249.318 1.184 20 0 BDADLO COCC(C)(C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000622364185 370869409 /nfs/dbraw/zinc/86/94/09/370869409.db2.gz NOXXJTYGTULWQM-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO COCC(C)(C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361473 370868095 /nfs/dbraw/zinc/86/80/95/370868095.db2.gz IDLIZWRLJQJWCX-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO c1c[nH+]c(COCc2nc(CC3CC3)no2)[nH]1 ZINC000631013931 370888836 /nfs/dbraw/zinc/88/88/36/370888836.db2.gz FHYIUZNOXNVFHW-UHFFFAOYSA-N 1 2 234.259 1.462 20 0 BDADLO O=C(CC1CC(F)(F)C1)NCc1[nH]cc[nH+]1 ZINC000622366520 370871386 /nfs/dbraw/zinc/87/13/86/370871386.db2.gz GCHGPROEVXLQNM-UHFFFAOYSA-N 1 2 229.230 1.461 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)no1 ZINC000385863626 367870695 /nfs/dbraw/zinc/87/06/95/367870695.db2.gz HUXPEKXAINOQDB-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)no1 ZINC000385863626 367870701 /nfs/dbraw/zinc/87/07/01/367870701.db2.gz HUXPEKXAINOQDB-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)CCCO)ccn12 ZINC000581833986 367839341 /nfs/dbraw/zinc/83/93/41/367839341.db2.gz BVFAAKKEORCYNA-UHFFFAOYSA-N 1 2 247.298 1.097 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000581851733 367843740 /nfs/dbraw/zinc/84/37/40/367843740.db2.gz BMCVYJHOSLLLQQ-UTUOFQBUSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000581851734 367844160 /nfs/dbraw/zinc/84/41/60/367844160.db2.gz BMCVYJHOSLLLQQ-WOPDTQHZSA-N 1 2 235.331 1.824 20 0 BDADLO CCOc1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000010809343 367918445 /nfs/dbraw/zinc/91/84/45/367918445.db2.gz KHHNKRRCWCOVMQ-UHFFFAOYSA-N 1 2 245.282 1.921 20 0 BDADLO Cc1ccc2nc(Cn3cc[nH+]c3)cc(=O)n2c1 ZINC000010809518 367918715 /nfs/dbraw/zinc/91/87/15/367918715.db2.gz XIHVKRMXDHIBMT-UHFFFAOYSA-N 1 2 240.266 1.248 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CCC1 ZINC000582007234 368129723 /nfs/dbraw/zinc/12/97/23/368129723.db2.gz MRDZPJHQTMKZLF-QWHCGFSZSA-N 1 2 247.342 1.826 20 0 BDADLO CCn1cc(CNc2c[nH+]cc(N(C)C)c2)cn1 ZINC000630956420 368149833 /nfs/dbraw/zinc/14/98/33/368149833.db2.gz RIMCJWBQSUXDMW-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCn1nncc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956518 368150491 /nfs/dbraw/zinc/15/04/91/368150491.db2.gz SXVASQGGDZXXQZ-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000566430991 326046237 /nfs/dbraw/zinc/04/62/37/326046237.db2.gz BIVSHUUHBQUFQG-SECBINFHSA-N 1 2 209.293 1.505 20 0 BDADLO CCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000566430991 326046240 /nfs/dbraw/zinc/04/62/40/326046240.db2.gz BIVSHUUHBQUFQG-SECBINFHSA-N 1 2 209.293 1.505 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]1C1CC1 ZINC000615684939 368202733 /nfs/dbraw/zinc/20/27/33/368202733.db2.gz LGYVUFBRNBSFIJ-GWCFXTLKSA-N 1 2 245.326 1.526 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]1C1CC1 ZINC000615684939 368202735 /nfs/dbraw/zinc/20/27/35/368202735.db2.gz LGYVUFBRNBSFIJ-GWCFXTLKSA-N 1 2 245.326 1.526 20 0 BDADLO C[C@H](C1CC1)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000104100983 368280334 /nfs/dbraw/zinc/28/03/34/368280334.db2.gz RIEDBHGASIMWNF-SECBINFHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@H](C1CC1)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000104100983 368280339 /nfs/dbraw/zinc/28/03/39/368280339.db2.gz RIEDBHGASIMWNF-SECBINFHSA-N 1 2 246.314 1.253 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1nc(C)[nH+]cc1C ZINC000566478385 326055232 /nfs/dbraw/zinc/05/52/32/326055232.db2.gz JFJIKVXFNFDSFC-LDYMZIIASA-N 1 2 223.320 1.334 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ncc(C)o1 ZINC000454334000 202810947 /nfs/dbraw/zinc/81/09/47/202810947.db2.gz SNCIWEMRQTZHFQ-VIFPVBQESA-N 1 2 248.286 1.690 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOC[C@@H]1C ZINC000046774131 368449709 /nfs/dbraw/zinc/44/97/09/368449709.db2.gz YGUVJLNZCKSILK-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@@H]1C ZINC000046774131 368449712 /nfs/dbraw/zinc/44/97/12/368449712.db2.gz YGUVJLNZCKSILK-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000046774563 368449924 /nfs/dbraw/zinc/44/99/24/368449924.db2.gz QYLTXELQQCLPOI-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000046774563 368449928 /nfs/dbraw/zinc/44/99/28/368449928.db2.gz QYLTXELQQCLPOI-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000045752123 368430033 /nfs/dbraw/zinc/43/00/33/368430033.db2.gz NSEKDSNHMVLRRE-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000045752123 368430040 /nfs/dbraw/zinc/43/00/40/368430040.db2.gz NSEKDSNHMVLRRE-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO O=C(C1CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000060293615 368538537 /nfs/dbraw/zinc/53/85/37/368538537.db2.gz ITROYKYGTYXWOC-SNVBAGLBSA-N 1 2 219.288 1.873 20 0 BDADLO CN(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC000060617124 368549406 /nfs/dbraw/zinc/54/94/06/368549406.db2.gz SFSHQQYGRQQPBT-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO CC(C)CN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000062465676 368575865 /nfs/dbraw/zinc/57/58/65/368575865.db2.gz MEGDDPJXHLLVNV-UHFFFAOYSA-N 1 2 238.335 1.571 20 0 BDADLO COCC[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000064142947 368602302 /nfs/dbraw/zinc/60/23/02/368602302.db2.gz IAJILNBBPFSVBD-UHFFFAOYSA-N 1 2 211.265 1.025 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000064142947 368602308 /nfs/dbraw/zinc/60/23/08/368602308.db2.gz IAJILNBBPFSVBD-UHFFFAOYSA-N 1 2 211.265 1.025 20 0 BDADLO C[C@H](c1cccnc1)[NH+]1CCN(C2CC2)CC1 ZINC000067411987 368686946 /nfs/dbraw/zinc/68/69/46/368686946.db2.gz DWSZJEMLJPEYAR-GFCCVEGCSA-N 1 2 231.343 1.923 20 0 BDADLO CC(C)(NC(=O)C1CC2(CC2)C1)c1[nH]cc[nH+]1 ZINC000615951736 368758461 /nfs/dbraw/zinc/75/84/61/368758461.db2.gz AODDIFKTQPQAFQ-UHFFFAOYSA-N 1 2 233.315 1.951 20 0 BDADLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC1 ZINC000070692691 368763039 /nfs/dbraw/zinc/76/30/39/368763039.db2.gz ZAVHWRQLCSSBEY-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073056988 368792438 /nfs/dbraw/zinc/79/24/38/368792438.db2.gz DJEGFIXLOQLFIY-ZJUUUORDSA-N 1 2 209.293 1.434 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)CCCF)c2[nH+]ccn21 ZINC000615962704 368797889 /nfs/dbraw/zinc/79/78/89/368797889.db2.gz GPZXRVWKQFHHGU-DTWKUNHWSA-N 1 2 225.267 1.755 20 0 BDADLO Cc1n[nH]c(C)c1CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000616033167 368904646 /nfs/dbraw/zinc/90/46/46/368904646.db2.gz RJNOVWWSYWWHDK-UHFFFAOYSA-N 1 2 247.302 1.031 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1CSC1 ZINC000616057585 368924370 /nfs/dbraw/zinc/92/43/70/368924370.db2.gz PQBOWQKGOABPMA-UHFFFAOYSA-N 1 2 239.344 1.143 20 0 BDADLO O=C(NCC1CSC1)c1ccc2[nH+]ccn2c1 ZINC000616062158 368930699 /nfs/dbraw/zinc/93/06/99/368930699.db2.gz ZJDPDAHSSROAKW-UHFFFAOYSA-N 1 2 247.323 1.427 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)Cn1cc[nH+]c1 ZINC000616164944 368999386 /nfs/dbraw/zinc/99/93/86/368999386.db2.gz ACJPWXFBMSXRLZ-SNVBAGLBSA-N 1 2 221.304 1.673 20 0 BDADLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)C(F)(F)F ZINC000616203088 369045636 /nfs/dbraw/zinc/04/56/36/369045636.db2.gz PCDGIIFTRCKEQE-UHFFFAOYSA-N 1 2 249.236 1.799 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000457452837 203065399 /nfs/dbraw/zinc/06/53/99/203065399.db2.gz SNWVTGZLGKSQIP-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO CCCC[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854339 203113163 /nfs/dbraw/zinc/11/31/63/203113163.db2.gz ALSAPMMONSAXHB-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000567419439 326186793 /nfs/dbraw/zinc/18/67/93/326186793.db2.gz PSVPNLZUPYYIQF-BZBKMWRSSA-N 1 2 219.288 1.257 20 0 BDADLO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)n1C ZINC000457873450 203115606 /nfs/dbraw/zinc/11/56/06/203115606.db2.gz DHNKTQKWCWTEAY-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2CC=CCC2)c1 ZINC000458448354 203174377 /nfs/dbraw/zinc/17/43/77/203174377.db2.gz XWOPQBMCGVRKCZ-NSHDSACASA-N 1 2 248.330 1.371 20 0 BDADLO CCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619010359 369256969 /nfs/dbraw/zinc/25/69/69/369256969.db2.gz CPRHEVIFCMJZKD-UHFFFAOYSA-N 1 2 203.245 1.991 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459328863 203259212 /nfs/dbraw/zinc/25/92/12/203259212.db2.gz PDJPFELUGBXBKA-CYBMUJFWSA-N 1 2 247.342 1.965 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459328863 203259215 /nfs/dbraw/zinc/25/92/15/203259215.db2.gz PDJPFELUGBXBKA-CYBMUJFWSA-N 1 2 247.342 1.965 20 0 BDADLO O=c1cc(C[N@H+]2CC[C@@H](F)C2)nc(C2CC2)[nH]1 ZINC000459490734 203291705 /nfs/dbraw/zinc/29/17/05/203291705.db2.gz TXFTUHXHRAOWNF-SECBINFHSA-N 1 2 237.278 1.603 20 0 BDADLO O=c1cc(C[N@@H+]2CC[C@@H](F)C2)nc(C2CC2)[nH]1 ZINC000459490734 203291707 /nfs/dbraw/zinc/29/17/07/203291707.db2.gz TXFTUHXHRAOWNF-SECBINFHSA-N 1 2 237.278 1.603 20 0 BDADLO CCC(F)(F)C[NH2+]CC1=CCCOC1 ZINC000623679834 369381697 /nfs/dbraw/zinc/38/16/97/369381697.db2.gz LPFHANPVWWANDV-UHFFFAOYSA-N 1 2 205.248 1.968 20 0 BDADLO COC1C[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000459582986 203306417 /nfs/dbraw/zinc/30/64/17/203306417.db2.gz OJWZQLWCRCLALF-UHFFFAOYSA-N 1 2 237.347 1.548 20 0 BDADLO COc1cccc(C[NH+]2CC(OC)C2)c1OC ZINC000459587115 203306434 /nfs/dbraw/zinc/30/64/34/203306434.db2.gz UTPINIQFSRGNAD-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO COc1cc(C)ccc1C[NH+]1CC(OC)C1 ZINC000459591477 203309539 /nfs/dbraw/zinc/30/95/39/203309539.db2.gz ZWYZWVCSAZNOEZ-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(O)cc1 ZINC000619433229 369351736 /nfs/dbraw/zinc/35/17/36/369351736.db2.gz WJLNIUMCUOBOFU-SECBINFHSA-N 1 2 223.272 1.386 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(O)cc1 ZINC000619433229 369351741 /nfs/dbraw/zinc/35/17/41/369351741.db2.gz WJLNIUMCUOBOFU-SECBINFHSA-N 1 2 223.272 1.386 20 0 BDADLO CC[C@@H](C)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619433686 369352965 /nfs/dbraw/zinc/35/29/65/369352965.db2.gz LGGVORRSDRSSFZ-UTLUCORTSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@@H](C)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619433686 369352968 /nfs/dbraw/zinc/35/29/68/369352968.db2.gz LGGVORRSDRSSFZ-UTLUCORTSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@](COC)([NH2+]CCCC(C)C)C(=O)OC ZINC000459566416 203302765 /nfs/dbraw/zinc/30/27/65/203302765.db2.gz ZFDKDILKOCKTSY-CYBMUJFWSA-N 1 2 245.363 1.980 20 0 BDADLO CC(C)[N@H+](Cc1cnc(C2CC2)nc1)C1COC1 ZINC000459569879 203303780 /nfs/dbraw/zinc/30/37/80/203303780.db2.gz MJHIDCALKGOVEU-UHFFFAOYSA-N 1 2 247.342 1.963 20 0 BDADLO CC(C)[N@@H+](Cc1cnc(C2CC2)nc1)C1COC1 ZINC000459569879 203303784 /nfs/dbraw/zinc/30/37/84/203303784.db2.gz MJHIDCALKGOVEU-UHFFFAOYSA-N 1 2 247.342 1.963 20 0 BDADLO COc1ccc(C[NH+]2CC(OC)C2)c(OC)c1 ZINC000459572558 203303882 /nfs/dbraw/zinc/30/38/82/203303882.db2.gz AVDBKBPJNLOJOK-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO O=C(NC1C[NH+](Cc2ccsc2)C1)C1CC1 ZINC000459614753 203317348 /nfs/dbraw/zinc/31/73/48/203317348.db2.gz WWXGQFMULJHYLB-UHFFFAOYSA-N 1 2 236.340 1.459 20 0 BDADLO CCOC1(C)C[NH+](Cc2cnn(C)c2)C1 ZINC000459619666 203319306 /nfs/dbraw/zinc/31/93/06/203319306.db2.gz UTXYTGCTHWVFRY-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000403845975 369412621 /nfs/dbraw/zinc/41/26/21/369412621.db2.gz FBXFJYCYRCQZNY-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000403845975 369412624 /nfs/dbraw/zinc/41/26/24/369412624.db2.gz FBXFJYCYRCQZNY-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)c1cccc(C[NH2+]Cc2ccon2)c1 ZINC000619509166 369448166 /nfs/dbraw/zinc/44/81/66/369448166.db2.gz SPXVHJWBFIJCOA-UHFFFAOYSA-N 1 2 246.266 1.751 20 0 BDADLO CC/C=C\CC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513590 369456288 /nfs/dbraw/zinc/45/62/88/369456288.db2.gz RIHHJXTVGOKFEN-XXJOZFEBSA-N 1 2 229.295 1.928 20 0 BDADLO CC/C=C\CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513590 369456295 /nfs/dbraw/zinc/45/62/95/369456295.db2.gz RIHHJXTVGOKFEN-XXJOZFEBSA-N 1 2 229.295 1.928 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459807126 203375641 /nfs/dbraw/zinc/37/56/41/203375641.db2.gz NLIOUCOFIYIUBZ-SECBINFHSA-N 1 2 245.319 1.069 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459807126 203375644 /nfs/dbraw/zinc/37/56/44/203375644.db2.gz NLIOUCOFIYIUBZ-SECBINFHSA-N 1 2 245.319 1.069 20 0 BDADLO C[C@@H](NC(=O)c1cscn1)c1[nH+]ccn1C ZINC000082280449 370980293 /nfs/dbraw/zinc/98/02/93/370980293.db2.gz XLOLJQOMMCFBGP-SSDOTTSWSA-N 1 2 236.300 1.368 20 0 BDADLO CC(=O)OCc1c[nH+]cn1Cc1ccccc1 ZINC000204169468 369526036 /nfs/dbraw/zinc/52/60/36/369526036.db2.gz GCMRSPXQZYSJKB-UHFFFAOYSA-N 1 2 230.267 1.995 20 0 BDADLO C[C@H](NC(=O)c1cscn1)c1[nH+]ccn1C ZINC000082280448 370980368 /nfs/dbraw/zinc/98/03/68/370980368.db2.gz XLOLJQOMMCFBGP-ZETCQYMHSA-N 1 2 236.300 1.368 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069862391 370991029 /nfs/dbraw/zinc/99/10/29/370991029.db2.gz FLRXCUFGXJYNAQ-DTWKUNHWSA-N 1 2 215.293 1.095 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CCCC1 ZINC000620012264 369669408 /nfs/dbraw/zinc/66/94/08/369669408.db2.gz XKYOFSBZWGVHIV-VXGBXAGGSA-N 1 2 245.326 1.750 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cnc(C)s1 ZINC000619888162 369625267 /nfs/dbraw/zinc/62/52/67/369625267.db2.gz FEQZABBKKPVGKO-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(C)s1 ZINC000619888162 369625270 /nfs/dbraw/zinc/62/52/70/369625270.db2.gz FEQZABBKKPVGKO-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC1(C)C ZINC000620074948 369708885 /nfs/dbraw/zinc/70/88/85/369708885.db2.gz NUMDQTBLRNBBGZ-GPCCPHFNSA-N 1 2 247.342 1.828 20 0 BDADLO C[C@H](CC(=O)Nc1cnns1)n1cc[nH+]c1 ZINC000567996493 326294164 /nfs/dbraw/zinc/29/41/64/326294164.db2.gz MMUUNBQLHMYHSC-SSDOTTSWSA-N 1 2 237.288 1.324 20 0 BDADLO Cc1[nH]c(C(=O)NCCCc2ccco2)c[nH+]1 ZINC000620362052 369851505 /nfs/dbraw/zinc/85/15/05/369851505.db2.gz BSYFBYMLXDHHCC-UHFFFAOYSA-N 1 2 233.271 1.674 20 0 BDADLO CC(C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000620411853 369867602 /nfs/dbraw/zinc/86/76/02/369867602.db2.gz YNSMTHWVDPIWOX-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCc1cccnc1 ZINC000620411772 369867930 /nfs/dbraw/zinc/86/79/30/369867930.db2.gz AJCDWULLJMIGMS-UHFFFAOYSA-N 1 2 244.298 1.375 20 0 BDADLO C[C@H](NC(=O)CCC1CC1)c1[nH+]ccn1C ZINC000620599326 369949259 /nfs/dbraw/zinc/94/92/59/369949259.db2.gz DUMILWJAJMOVNR-VIFPVBQESA-N 1 2 221.304 1.788 20 0 BDADLO Cc1cncc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000620600509 369950627 /nfs/dbraw/zinc/95/06/27/369950627.db2.gz ORUZXWUCOJSVCC-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604664 369952727 /nfs/dbraw/zinc/95/27/27/369952727.db2.gz URLWSYBSVXVJSX-HBNTYKKESA-N 1 2 235.331 1.889 20 0 BDADLO C[C@H](NC(=O)C1=CCCC1)c1[nH+]ccn1C ZINC000620604487 369953048 /nfs/dbraw/zinc/95/30/48/369953048.db2.gz UMIZSPLFHJULMA-VIFPVBQESA-N 1 2 219.288 1.708 20 0 BDADLO CCC[C@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604625 369953228 /nfs/dbraw/zinc/95/32/28/369953228.db2.gz VYSIQPZGECJDLA-CABZTGNLSA-N 1 2 239.319 1.148 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)cnn1 ZINC000620605480 369953899 /nfs/dbraw/zinc/95/38/99/369953899.db2.gz FDNCJARHTLMSTM-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H](NC(=O)CCC(F)F)c1[nH+]ccn1C ZINC000620606598 369954282 /nfs/dbraw/zinc/95/42/82/369954282.db2.gz XFHGHCPSYMOCGB-SSDOTTSWSA-N 1 2 231.246 1.643 20 0 BDADLO C[C@@H](NC(=O)C1(CCF)CC1)c1[nH+]ccn1C ZINC000620607955 369955982 /nfs/dbraw/zinc/95/59/82/369955982.db2.gz KWKAAHOSNIXIIC-SECBINFHSA-N 1 2 239.294 1.737 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC12CC2)c1[nH+]ccn1C ZINC000620610165 369956745 /nfs/dbraw/zinc/95/67/45/369956745.db2.gz FOLVYLLDLWWMCD-BDAKNGLRSA-N 1 2 219.288 1.397 20 0 BDADLO Cc1ccoc1CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620609152 369957383 /nfs/dbraw/zinc/95/73/83/369957383.db2.gz BOAWQWDJIJISKP-JTQLQIEISA-N 1 2 247.298 1.741 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@H](O)C3CC3)cc2[nH+]1 ZINC000620651973 369973757 /nfs/dbraw/zinc/97/37/57/369973757.db2.gz VIHQTRWXZWQYPC-GFCCVEGCSA-N 1 2 245.282 1.352 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000620556359 369921159 /nfs/dbraw/zinc/92/11/59/369921159.db2.gz ROMZSXUYPGQGLY-MFKMUULPSA-N 1 2 245.282 1.242 20 0 BDADLO C[C@H](NC(=O)[C@H]1CC=CCC1)c1[nH+]ccn1C ZINC000620594713 369946278 /nfs/dbraw/zinc/94/62/78/369946278.db2.gz BLVPUVXLKYWQNT-QWRGUYRKSA-N 1 2 233.315 1.954 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1[nH+]ccn1C ZINC000620594710 369946685 /nfs/dbraw/zinc/94/66/85/369946685.db2.gz BLVPUVXLKYWQNT-GHMZBOCLSA-N 1 2 233.315 1.954 20 0 BDADLO CC[C@H](OC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597257 369947471 /nfs/dbraw/zinc/94/74/71/369947471.db2.gz YNUKJYPVLWPVNR-IUCAKERBSA-N 1 2 225.292 1.022 20 0 BDADLO C[C@H](NC(=O)CC(F)(F)F)c1[nH+]ccn1C ZINC000620596135 369948181 /nfs/dbraw/zinc/94/81/81/369948181.db2.gz OGOXOFHSILEZFR-LURJTMIESA-N 1 2 235.209 1.550 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)Cn1cc[nH+]c1 ZINC000621044402 370078867 /nfs/dbraw/zinc/07/88/67/370078867.db2.gz JGWWXQQTPCMCIU-SNVBAGLBSA-N 1 2 221.304 1.388 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnccn1 ZINC000074896637 370053411 /nfs/dbraw/zinc/05/34/11/370053411.db2.gz HDHHOXXIXVMGBU-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO CO[C@H]1C[C@H]([NH2+]Cc2noc(C)n2)C12CCC2 ZINC000308399654 370134083 /nfs/dbraw/zinc/13/40/83/370134083.db2.gz VLZAFXQYMNQWTH-UWVGGRQHSA-N 1 2 237.303 1.425 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1c(C)nn(C)c1C ZINC000111365565 370136566 /nfs/dbraw/zinc/13/65/66/370136566.db2.gz XSZKSIBJPVPCSK-UHFFFAOYSA-N 1 2 247.346 1.543 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000621217941 370165499 /nfs/dbraw/zinc/16/54/99/370165499.db2.gz NPZCHBLQLKSUGR-CVZZAPKMSA-N 1 2 245.326 1.456 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC000076402803 370280151 /nfs/dbraw/zinc/28/01/51/370280151.db2.gz NTAGTJRUHIXQPK-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC000076402803 370280155 /nfs/dbraw/zinc/28/01/55/370280155.db2.gz NTAGTJRUHIXQPK-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CC1CC(CNc2nc[nH+]c(N)c2Cl)C1 ZINC000621354498 370289995 /nfs/dbraw/zinc/28/99/95/370289995.db2.gz LPZQXOOKTYKAPF-UHFFFAOYSA-N 1 2 226.711 1.592 20 0 BDADLO CC1CC(CNc2[nH+]cnc(N)c2Cl)C1 ZINC000621354498 370290000 /nfs/dbraw/zinc/29/00/00/370290000.db2.gz LPZQXOOKTYKAPF-UHFFFAOYSA-N 1 2 226.711 1.592 20 0 BDADLO CCCCNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000112616387 370334450 /nfs/dbraw/zinc/33/44/50/370334450.db2.gz SNLLOMAOMAQDQA-JTQLQIEISA-N 1 2 248.317 1.880 20 0 BDADLO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112616387 370334457 /nfs/dbraw/zinc/33/44/57/370334457.db2.gz SNLLOMAOMAQDQA-JTQLQIEISA-N 1 2 248.317 1.880 20 0 BDADLO NC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621405237 370340269 /nfs/dbraw/zinc/34/02/69/370340269.db2.gz ONSZPHWNSWMPPG-VIFPVBQESA-N 1 2 220.263 1.275 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC1(C)C)c1c[nH]c[nH+]1 ZINC000621709324 370454729 /nfs/dbraw/zinc/45/47/29/370454729.db2.gz RRGLPAVCFRDTOJ-MRVPVSSYSA-N 1 2 221.304 1.602 20 0 BDADLO CCOc1cncc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000621725587 370478438 /nfs/dbraw/zinc/47/84/38/370478438.db2.gz URUKOOQAUIJDST-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cncc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000621725587 370478442 /nfs/dbraw/zinc/47/84/42/370478442.db2.gz URUKOOQAUIJDST-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2nccnc2C)CCO1 ZINC000621717103 370466514 /nfs/dbraw/zinc/46/65/14/370466514.db2.gz WSELTSGCIDOAPF-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621717103 370466518 /nfs/dbraw/zinc/46/65/18/370466518.db2.gz WSELTSGCIDOAPF-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000621717801 370467168 /nfs/dbraw/zinc/46/71/68/370467168.db2.gz OIFFVLBODYELJO-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000621717801 370467173 /nfs/dbraw/zinc/46/71/73/370467173.db2.gz OIFFVLBODYELJO-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1nccnc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000621721382 370471830 /nfs/dbraw/zinc/47/18/30/370471830.db2.gz MSFPKKOMDXWHSL-MWLCHTKSSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccnc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000621721382 370471835 /nfs/dbraw/zinc/47/18/35/370471835.db2.gz MSFPKKOMDXWHSL-MWLCHTKSSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000621723178 370474645 /nfs/dbraw/zinc/47/46/45/370474645.db2.gz XBWHXKCQKUMVBM-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000621723178 370474649 /nfs/dbraw/zinc/47/46/49/370474649.db2.gz XBWHXKCQKUMVBM-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccnc2C)[C@@H](C)CO1 ZINC000621732248 370486060 /nfs/dbraw/zinc/48/60/60/370486060.db2.gz UMPGCNSZKPVLGJ-JQWIXIFHSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccnc2C)[C@@H](C)CO1 ZINC000621732248 370486066 /nfs/dbraw/zinc/48/60/66/370486066.db2.gz UMPGCNSZKPVLGJ-JQWIXIFHSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000621732288 370487765 /nfs/dbraw/zinc/48/77/65/370487765.db2.gz VTCKNUSMXQYNPO-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000621732288 370487766 /nfs/dbraw/zinc/48/77/66/370487766.db2.gz VTCKNUSMXQYNPO-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCc1cc(N(C)CC[C@H](C)O)nc[nH+]1 ZINC000078418092 370557425 /nfs/dbraw/zinc/55/74/25/370557425.db2.gz GKDUXUWUKWDDQH-VIFPVBQESA-N 1 2 209.293 1.246 20 0 BDADLO CCc1cc(N[C@H](CCO)C(C)C)nc[nH+]1 ZINC000078447214 370564309 /nfs/dbraw/zinc/56/43/09/370564309.db2.gz WNVRXJTYHPRMOZ-LLVKDONJSA-N 1 2 223.320 1.858 20 0 BDADLO Cc1nc(C)c(C(=O)N(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000621861600 370570467 /nfs/dbraw/zinc/57/04/67/370570467.db2.gz ICYHLPVWWZCHJI-UHFFFAOYSA-N 1 2 233.275 1.022 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000115161450 370627131 /nfs/dbraw/zinc/62/71/31/370627131.db2.gz NPGNLGNMRFLWMR-WDEREUQCSA-N 1 2 233.315 1.656 20 0 BDADLO Cc1cc(C)c(CNC(=O)C[C@H]2CCOC2)c[nH+]1 ZINC000622667588 371047321 /nfs/dbraw/zinc/04/73/21/371047321.db2.gz MBROWKXFKMDQIF-GFCCVEGCSA-N 1 2 248.326 1.741 20 0 BDADLO Cc1ccncc1CNC(=O)CCn1cc[nH+]c1 ZINC000622648896 371034528 /nfs/dbraw/zinc/03/45/28/371034528.db2.gz PRNAIPZRJDJXIM-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO COCCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000622683344 371061277 /nfs/dbraw/zinc/06/12/77/371061277.db2.gz PICOADABLMLFRQ-UHFFFAOYSA-N 1 2 243.332 1.180 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(Cl)cn1 ZINC000070710584 371063606 /nfs/dbraw/zinc/06/36/06/371063606.db2.gz PPAFWNSCBQCQHD-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO CCc1cc(NCC2(O)CCC2)nc[nH+]1 ZINC000123471800 371072488 /nfs/dbraw/zinc/07/24/88/371072488.db2.gz KOIRHBWKGDJGCV-UHFFFAOYSA-N 1 2 207.277 1.366 20 0 BDADLO Cc1nnc(NC(=O)C[N@H+]2CC[C@H](C)C2)s1 ZINC000569123543 326392077 /nfs/dbraw/zinc/39/20/77/326392077.db2.gz UAEIRKIWTLXCCK-ZETCQYMHSA-N 1 2 240.332 1.127 20 0 BDADLO Cc1nnc(NC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC000569123543 326392078 /nfs/dbraw/zinc/39/20/78/326392078.db2.gz UAEIRKIWTLXCCK-ZETCQYMHSA-N 1 2 240.332 1.127 20 0 BDADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cscn1 ZINC000569276635 326398767 /nfs/dbraw/zinc/39/87/67/326398767.db2.gz SSHKBKMRJYZAQF-LLVKDONJSA-N 1 2 244.360 1.361 20 0 BDADLO COc1ccc[nH+]c1NCCCC(=O)N(C)C ZINC000390357676 371196409 /nfs/dbraw/zinc/19/64/09/371196409.db2.gz NJMVZSNQWHQWSQ-UHFFFAOYSA-N 1 2 237.303 1.371 20 0 BDADLO COC(=O)[C@H](NCc1c[nH+]c[nH]1)C(C)(C)C ZINC000390550651 371215571 /nfs/dbraw/zinc/21/55/71/371215571.db2.gz OPBUQSZPUNBKLC-VIFPVBQESA-N 1 2 225.292 1.087 20 0 BDADLO COC(=O)[C@H](NCc1c[nH]c[nH+]1)C(C)(C)C ZINC000390550651 371215574 /nfs/dbraw/zinc/21/55/74/371215574.db2.gz OPBUQSZPUNBKLC-VIFPVBQESA-N 1 2 225.292 1.087 20 0 BDADLO CCOCCNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631067103 371270508 /nfs/dbraw/zinc/27/05/08/371270508.db2.gz SQUGEJJJVKIVGO-UHFFFAOYSA-N 1 2 248.330 1.952 20 0 BDADLO CCC(F)(F)CN[C@@H]1CCn2cc[nH+]c21 ZINC000624148621 371346416 /nfs/dbraw/zinc/34/64/16/371346416.db2.gz JTFUCDHSOHRVPH-MRVPVSSYSA-N 1 2 215.247 1.963 20 0 BDADLO C/C=C/CNC(=O)NCc1[nH+]ccn1CC ZINC000624150554 371347364 /nfs/dbraw/zinc/34/73/64/371347364.db2.gz NGJZRFPNDDKFPZ-HWKANZROSA-N 1 2 222.292 1.278 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000624221936 371410306 /nfs/dbraw/zinc/41/03/06/371410306.db2.gz LMFDZMXZRMIPNM-KDDOJWQBSA-N 1 2 235.331 1.936 20 0 BDADLO CCc1cc(NC[C@@H](O)C(C)C)nc[nH+]1 ZINC000125651342 371370473 /nfs/dbraw/zinc/37/04/73/371370473.db2.gz NJFNKRCEHSLKNY-SNVBAGLBSA-N 1 2 209.293 1.468 20 0 BDADLO COc1ccc[nH+]c1N1CCC(C2(O)CC2)CC1 ZINC000624347273 371490998 /nfs/dbraw/zinc/49/09/98/371490998.db2.gz AXTBLTAURFABQQ-UHFFFAOYSA-N 1 2 248.326 1.832 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](C)[C@@H](CO)C1 ZINC000624413685 371502954 /nfs/dbraw/zinc/50/29/54/371502954.db2.gz NTHWHQVRDYVHLF-WDEREUQCSA-N 1 2 236.315 1.545 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC1(C)C)CC2 ZINC000624524774 371530126 /nfs/dbraw/zinc/53/01/26/371530126.db2.gz CBRQNEOSDDJFPC-MNOVXSKESA-N 1 2 247.342 1.669 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C12CC(C1)C2 ZINC000624523024 371530667 /nfs/dbraw/zinc/53/06/67/371530667.db2.gz ZRDASBPTQTWYDD-UHFFFAOYSA-N 1 2 231.299 1.886 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C ZINC000131532752 371615966 /nfs/dbraw/zinc/61/59/66/371615966.db2.gz RCPWNDDJLXABDI-WDEREUQCSA-N 1 2 235.331 1.811 20 0 BDADLO COCC1(CC(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627373759 371591313 /nfs/dbraw/zinc/59/13/13/371591313.db2.gz AOVHWQAKRMIVHC-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO COCC1(CC(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627373759 371591321 /nfs/dbraw/zinc/59/13/21/371591321.db2.gz AOVHWQAKRMIVHC-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@@H]1C)CC2 ZINC000627537372 371689703 /nfs/dbraw/zinc/68/97/03/371689703.db2.gz FZQWMMVRWZALCD-ADEWGFFLSA-N 1 2 247.342 1.621 20 0 BDADLO FC(F)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000057911731 371929942 /nfs/dbraw/zinc/92/99/42/371929942.db2.gz SNAMQWWPGAPTBV-UHFFFAOYSA-N 1 2 241.285 1.464 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@H](CO)SC ZINC000228320179 372015577 /nfs/dbraw/zinc/01/55/77/372015577.db2.gz XQSJLZFELFZMAK-WPRPVWTQSA-N 1 2 242.344 1.615 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@@H](CO)SC ZINC000228320158 372016050 /nfs/dbraw/zinc/01/60/50/372016050.db2.gz XQSJLZFELFZMAK-WCBMZHEXSA-N 1 2 242.344 1.615 20 0 BDADLO FC1(F)CCC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000306727615 372061362 /nfs/dbraw/zinc/06/13/62/372061362.db2.gz MWTHFSGLUWFGCM-MRVPVSSYSA-N 1 2 201.220 1.687 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]2C2CCCCC2)nc(N)[nH+]1 ZINC000631131253 372205005 /nfs/dbraw/zinc/20/50/05/372205005.db2.gz VHPXVYVRXFKKLZ-GHMZBOCLSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@@H]2C2CCCCC2)[nH+]1 ZINC000631131253 372205009 /nfs/dbraw/zinc/20/50/09/372205009.db2.gz VHPXVYVRXFKKLZ-GHMZBOCLSA-N 1 2 247.346 1.973 20 0 BDADLO Cn1cc[nH+]c1CNc1cnn2c1CCCC2 ZINC000631231094 372251532 /nfs/dbraw/zinc/25/15/32/372251532.db2.gz FSSDSKVNZKSIPM-UHFFFAOYSA-N 1 2 231.303 1.565 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccncc1 ZINC000631238911 372254562 /nfs/dbraw/zinc/25/45/62/372254562.db2.gz MKKYSOUKRYYQPV-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO Cc1nc(N2CC3(CCC3)C[C@H]2C)nc(N)[nH+]1 ZINC000631247527 372258364 /nfs/dbraw/zinc/25/83/64/372258364.db2.gz WFPCAZRHZXAPSS-MRVPVSSYSA-N 1 2 233.319 1.361 20 0 BDADLO Cc1nc(N)nc(N2CC3(CCC3)C[C@H]2C)[nH+]1 ZINC000631247527 372258372 /nfs/dbraw/zinc/25/83/72/372258372.db2.gz WFPCAZRHZXAPSS-MRVPVSSYSA-N 1 2 233.319 1.361 20 0 BDADLO CCc1cc(N[C@@H](C)c2n[nH]c(=O)n2C)nc[nH+]1 ZINC000631336453 372301635 /nfs/dbraw/zinc/30/16/35/372301635.db2.gz TXUFMVDMRPFDRI-ZETCQYMHSA-N 1 2 248.290 1.046 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000631294367 372279822 /nfs/dbraw/zinc/27/98/22/372279822.db2.gz LAZYJDBTMFCESV-HOSYDEDBSA-N 1 2 248.326 1.818 20 0 BDADLO Cc1nc(NC[C@H]2CCCC23CC3)nc(N)[nH+]1 ZINC000631394587 372333955 /nfs/dbraw/zinc/33/39/55/372333955.db2.gz QQKSIUPJKVWPOX-SECBINFHSA-N 1 2 233.319 1.007 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCCC23CC3)[nH+]1 ZINC000631394587 372333960 /nfs/dbraw/zinc/33/39/60/372333960.db2.gz QQKSIUPJKVWPOX-SECBINFHSA-N 1 2 233.319 1.007 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ncc(C)o1 ZINC000631469914 372382742 /nfs/dbraw/zinc/38/27/42/372382742.db2.gz VEEYAFFJTIADNB-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO CCc1cc(N[C@H](C)[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493935 372394397 /nfs/dbraw/zinc/39/43/97/372394397.db2.gz RFGHLTLXFYCACA-HZGVNTEJSA-N 1 2 249.236 1.763 20 0 BDADLO Cc1nc(N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000631533034 372412895 /nfs/dbraw/zinc/41/28/95/372412895.db2.gz IXBLWPYVYHEDEO-AGIUHOORSA-N 1 2 247.342 1.915 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(CO)c(C)o1 ZINC000631595222 372447415 /nfs/dbraw/zinc/44/74/15/372447415.db2.gz VUGPPVFZYLXWAW-UHFFFAOYSA-N 1 2 249.270 1.042 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCS[C@H](C)C2)o1 ZINC000171688492 372734540 /nfs/dbraw/zinc/73/45/40/372734540.db2.gz KEEXKTNTPULOND-SFYZADRCSA-N 1 2 227.333 1.876 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCS[C@H](C)C2)o1 ZINC000171688492 372734549 /nfs/dbraw/zinc/73/45/49/372734549.db2.gz KEEXKTNTPULOND-SFYZADRCSA-N 1 2 227.333 1.876 20 0 BDADLO CC[C@@H](C)Cc1noc(Cc2c[nH+]cn2C)n1 ZINC000632250579 372832643 /nfs/dbraw/zinc/83/26/43/372832643.db2.gz YOUSJDCWAUQNEH-SECBINFHSA-N 1 2 234.303 1.983 20 0 BDADLO O=C(COCc1[nH]cc[nH+]1)NCc1ccccc1 ZINC000123702341 182000454 /nfs/dbraw/zinc/00/04/54/182000454.db2.gz CKPTZQMIXVQBGK-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCCOC1 ZINC000288394944 182058643 /nfs/dbraw/zinc/05/86/43/182058643.db2.gz KCKJICZOQIJLJM-UHFFFAOYSA-N 1 2 245.282 1.083 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1CCC2(CC2)CC1 ZINC000277721488 182070532 /nfs/dbraw/zinc/07/05/32/182070532.db2.gz YHBSKHUREQVDRL-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1sccc1F ZINC000336470064 182085483 /nfs/dbraw/zinc/08/54/83/182085483.db2.gz FPRRBSVWZQRBNN-UHFFFAOYSA-N 1 2 238.243 1.662 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC(C1CC1)C1CC1 ZINC000632853980 373190166 /nfs/dbraw/zinc/19/01/66/373190166.db2.gz QXSFUUWPNLXJDT-UHFFFAOYSA-N 1 2 248.330 1.740 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632986238 373242822 /nfs/dbraw/zinc/24/28/22/373242822.db2.gz VNDDFYUZVBDEGD-NXEZZACHSA-N 1 2 236.319 1.740 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccn(C)c1 ZINC000633063626 373279201 /nfs/dbraw/zinc/27/92/01/373279201.db2.gz BGOYNSPCLVRQMQ-UHFFFAOYSA-N 1 2 247.302 1.090 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCCCF ZINC000633254364 373414157 /nfs/dbraw/zinc/41/41/57/373414157.db2.gz JZMVAPBSOLNWPB-UHFFFAOYSA-N 1 2 228.271 1.301 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1conc1C ZINC000633290054 373452280 /nfs/dbraw/zinc/45/22/80/373452280.db2.gz UJMMZLDWLQBESY-SECBINFHSA-N 1 2 248.286 1.690 20 0 BDADLO O=C(NCC1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263855892 182136413 /nfs/dbraw/zinc/13/64/13/182136413.db2.gz UDAIOEWNWHHXMH-UHFFFAOYSA-N 1 2 248.330 1.709 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC12CC2 ZINC000633412380 373535718 /nfs/dbraw/zinc/53/57/18/373535718.db2.gz GOLOAGLJNKRANA-LLVKDONJSA-N 1 2 248.330 1.884 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC12CC2 ZINC000633412380 373535723 /nfs/dbraw/zinc/53/57/23/373535723.db2.gz GOLOAGLJNKRANA-LLVKDONJSA-N 1 2 248.330 1.884 20 0 BDADLO O=C(NCC1CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336468396 182143080 /nfs/dbraw/zinc/14/30/80/182143080.db2.gz QTNAJSRWORKLAN-JTQLQIEISA-N 1 2 248.330 1.366 20 0 BDADLO O=C(NCC1CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336468396 182143081 /nfs/dbraw/zinc/14/30/81/182143081.db2.gz QTNAJSRWORKLAN-JTQLQIEISA-N 1 2 248.330 1.366 20 0 BDADLO Cc1cc(CNC(=O)CCCCO)cc(C)[nH+]1 ZINC000633455394 373559812 /nfs/dbraw/zinc/55/98/12/373559812.db2.gz WIKQJGUDLGGPJP-UHFFFAOYSA-N 1 2 236.315 1.477 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000633718945 373703824 /nfs/dbraw/zinc/70/38/24/373703824.db2.gz BGGUYFZBQVCBFT-SECBINFHSA-N 1 2 239.294 1.310 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)N1CCCC1 ZINC000046944936 182169083 /nfs/dbraw/zinc/16/90/83/182169083.db2.gz HVPKQNFBKYYFPP-UHFFFAOYSA-N 1 2 248.330 1.689 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(c2ccccc2)C1 ZINC000633809640 373766111 /nfs/dbraw/zinc/76/61/11/373766111.db2.gz VGCYZJLUTLMNPR-UHFFFAOYSA-N 1 2 241.294 1.509 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC=CCC1 ZINC000077537220 182177538 /nfs/dbraw/zinc/17/75/38/182177538.db2.gz IIFPXGMJMINXSJ-GFCCVEGCSA-N 1 2 248.330 1.681 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NCc1ccco1 ZINC000048464715 182176735 /nfs/dbraw/zinc/17/67/35/182176735.db2.gz TWWGTRUGIFRTDV-UHFFFAOYSA-N 1 2 248.286 1.366 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)O1 ZINC000634025113 373910217 /nfs/dbraw/zinc/91/02/17/373910217.db2.gz CRPOHBOHPPQUET-GMTAPVOTSA-N 1 2 240.347 1.010 20 0 BDADLO O=C(NCCc1ccco1)NCCn1cc[nH+]c1 ZINC000043311988 182207638 /nfs/dbraw/zinc/20/76/38/182207638.db2.gz ICARWHZTFPLYRP-UHFFFAOYSA-N 1 2 248.286 1.018 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC2(CCC2)C1 ZINC000127750393 182215376 /nfs/dbraw/zinc/21/53/76/182215376.db2.gz QFTAOISLXQRIIQ-UHFFFAOYSA-N 1 2 248.330 1.469 20 0 BDADLO Cc1sccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000634215034 374033450 /nfs/dbraw/zinc/03/34/50/374033450.db2.gz GIMUKGAQBWICNF-SNVBAGLBSA-N 1 2 240.328 1.326 20 0 BDADLO Cc1sccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000634215034 374033458 /nfs/dbraw/zinc/03/34/58/374033458.db2.gz GIMUKGAQBWICNF-SNVBAGLBSA-N 1 2 240.328 1.326 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccco1 ZINC000041392501 374137860 /nfs/dbraw/zinc/13/78/60/374137860.db2.gz GQIVDFGBAOEHDZ-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000041392501 374137869 /nfs/dbraw/zinc/13/78/69/374137869.db2.gz GQIVDFGBAOEHDZ-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CCCCC2)C1 ZINC000174208355 374147563 /nfs/dbraw/zinc/14/75/63/374147563.db2.gz OLQWKMQNLOYEFB-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)CCCCC2)C1 ZINC000174208355 374147566 /nfs/dbraw/zinc/14/75/66/374147566.db2.gz OLQWKMQNLOYEFB-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336509377 182253153 /nfs/dbraw/zinc/25/31/53/182253153.db2.gz NABLHULKRCYSFS-SNVBAGLBSA-N 1 2 244.298 1.474 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336509377 182253154 /nfs/dbraw/zinc/25/31/54/182253154.db2.gz NABLHULKRCYSFS-SNVBAGLBSA-N 1 2 244.298 1.474 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000332102546 182253347 /nfs/dbraw/zinc/25/33/47/182253347.db2.gz QPEIPQZFQAMDEQ-JTQLQIEISA-N 1 2 244.298 1.090 20 0 BDADLO C[C@@H](CC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC000634367401 374212329 /nfs/dbraw/zinc/21/23/29/374212329.db2.gz IIBBWCOQLHTWJO-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC(F)(F)C1 ZINC000300897808 182247283 /nfs/dbraw/zinc/24/72/83/182247283.db2.gz VOBVNOHFQZIKHU-SSDOTTSWSA-N 1 2 229.230 1.461 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC(F)(F)C1 ZINC000300897808 182247285 /nfs/dbraw/zinc/24/72/85/182247285.db2.gz VOBVNOHFQZIKHU-SSDOTTSWSA-N 1 2 229.230 1.461 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC1CCC1 ZINC000634370035 374219937 /nfs/dbraw/zinc/21/99/37/374219937.db2.gz NWHDZEQFOCBZLS-VIFPVBQESA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)CC1CCC1 ZINC000634370035 374219949 /nfs/dbraw/zinc/21/99/49/374219949.db2.gz NWHDZEQFOCBZLS-VIFPVBQESA-N 1 2 235.331 1.956 20 0 BDADLO CC(C)(O)C(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000634480273 374270117 /nfs/dbraw/zinc/27/01/17/374270117.db2.gz HKORLTPIKPAVHZ-UHFFFAOYSA-N 1 2 239.319 1.008 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000377152592 182267372 /nfs/dbraw/zinc/26/73/72/182267372.db2.gz QCRXDMCKKDFWRB-NSHDSACASA-N 1 2 245.282 1.355 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)C1CCC1 ZINC000007798867 182268914 /nfs/dbraw/zinc/26/89/14/182268914.db2.gz OYSVZCKEHPOZAB-UHFFFAOYSA-N 1 2 229.283 1.751 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc[nH]c1C1CCC1 ZINC000362820377 182270372 /nfs/dbraw/zinc/27/03/72/182270372.db2.gz NAMKSLFPFGPVNF-UHFFFAOYSA-N 1 2 244.298 1.935 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc[nH]c1C1CCC1 ZINC000362820377 182270376 /nfs/dbraw/zinc/27/03/76/182270376.db2.gz NAMKSLFPFGPVNF-UHFFFAOYSA-N 1 2 244.298 1.935 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370390275 182291149 /nfs/dbraw/zinc/29/11/49/182291149.db2.gz MBTUJKYUWZSCNN-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO FCCn1ncnc1C[NH+]1CCCCC1 ZINC000440482550 206077957 /nfs/dbraw/zinc/07/79/57/206077957.db2.gz BHUKWSPDVJMMIP-UHFFFAOYSA-N 1 2 212.272 1.234 20 0 BDADLO CC(C)c1ncc(CN(C)Cc2c[nH+]c[nH]2)cn1 ZINC000440476523 206078911 /nfs/dbraw/zinc/07/89/11/206078911.db2.gz HAXULNBTWGZSSS-UHFFFAOYSA-N 1 2 245.330 1.955 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000169798186 182315079 /nfs/dbraw/zinc/31/50/79/182315079.db2.gz PKFCANWQDJJTLE-SECBINFHSA-N 1 2 231.255 1.221 20 0 BDADLO CCCCOC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000450450816 206102669 /nfs/dbraw/zinc/10/26/69/206102669.db2.gz HMVXSKNYADIAKP-UHFFFAOYSA-N 1 2 238.335 1.586 20 0 BDADLO CCCCOC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000450450816 206102674 /nfs/dbraw/zinc/10/26/74/206102674.db2.gz HMVXSKNYADIAKP-UHFFFAOYSA-N 1 2 238.335 1.586 20 0 BDADLO CCCCOC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000450450816 206102675 /nfs/dbraw/zinc/10/26/75/206102675.db2.gz HMVXSKNYADIAKP-UHFFFAOYSA-N 1 2 238.335 1.586 20 0 BDADLO C=Cn1cc(C[N@H+]2CCN(C)C[C@@H]2C(C)C)cn1 ZINC000194601222 206095391 /nfs/dbraw/zinc/09/53/91/206095391.db2.gz GPOSBGOZIVIVFR-CQSZACIVSA-N 1 2 248.374 1.756 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)cn1 ZINC000194601222 206095394 /nfs/dbraw/zinc/09/53/94/206095394.db2.gz GPOSBGOZIVIVFR-CQSZACIVSA-N 1 2 248.374 1.756 20 0 BDADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CCC1 ZINC000336534896 182336536 /nfs/dbraw/zinc/33/65/36/182336536.db2.gz FNSBGASLBAJCJA-LBPRGKRZSA-N 1 2 243.310 1.497 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1=COCCC1 ZINC000371350007 182342457 /nfs/dbraw/zinc/34/24/57/182342457.db2.gz OSGWGKCBFKJAQH-JTQLQIEISA-N 1 2 247.298 1.078 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1=COCCC1 ZINC000371350007 182342461 /nfs/dbraw/zinc/34/24/61/182342461.db2.gz OSGWGKCBFKJAQH-JTQLQIEISA-N 1 2 247.298 1.078 20 0 BDADLO CCOC[C@@H]([NH2+]CC(=O)OCC)C(C)C ZINC000194852278 206112152 /nfs/dbraw/zinc/11/21/52/206112152.db2.gz NTBQBCSTDXVHAE-SNVBAGLBSA-N 1 2 217.309 1.200 20 0 BDADLO O=C(Nc1ccc(Cl)cc1)[C@H]1COCC[NH2+]1 ZINC000083872047 182353668 /nfs/dbraw/zinc/35/36/68/182353668.db2.gz OXJOFSBMBXYLMZ-SNVBAGLBSA-N 1 2 240.690 1.267 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)F)[C@H]1SC ZINC000459545440 206134449 /nfs/dbraw/zinc/13/44/49/206134449.db2.gz LKOVNSOMDOSIFI-ZXFLCMHBSA-N 1 2 225.304 1.750 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CC1(F)F ZINC000294856873 182375057 /nfs/dbraw/zinc/37/50/57/182375057.db2.gz GRZHSRZOZCDFQG-SSDOTTSWSA-N 1 2 237.209 1.928 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289401967 182831833 /nfs/dbraw/zinc/83/18/33/182831833.db2.gz SEVPTSQJPHAHKX-CYBMUJFWSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289401967 182831835 /nfs/dbraw/zinc/83/18/35/182831835.db2.gz SEVPTSQJPHAHKX-CYBMUJFWSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1[C@@H](n2cc[nH+]c2)CCCN1CC(F)(F)F ZINC000336552701 182838137 /nfs/dbraw/zinc/83/81/37/182838137.db2.gz FPJBWBQSUSFRQV-QMMMGPOBSA-N 1 2 247.220 1.609 20 0 BDADLO OC1(CC[N@@H+]2CCC(F)(F)C2)CCC1 ZINC000307160453 183014822 /nfs/dbraw/zinc/01/48/22/183014822.db2.gz DRDBGCVKKLSIKW-UHFFFAOYSA-N 1 2 205.248 1.633 20 0 BDADLO OC1(CC[N@H+]2CCC(F)(F)C2)CCC1 ZINC000307160453 183014823 /nfs/dbraw/zinc/01/48/23/183014823.db2.gz DRDBGCVKKLSIKW-UHFFFAOYSA-N 1 2 205.248 1.633 20 0 BDADLO OCC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000095078706 183041332 /nfs/dbraw/zinc/04/13/32/183041332.db2.gz ZCCWWDHBNLCXMR-UHFFFAOYSA-N 1 2 241.722 1.334 20 0 BDADLO OCC[N@@H+]1Cc2cccc(Br)c2C1 ZINC000274478469 183076069 /nfs/dbraw/zinc/07/60/69/183076069.db2.gz DTQPYFQFCPTKOU-UHFFFAOYSA-N 1 2 242.116 1.757 20 0 BDADLO OCC[N@H+]1Cc2cccc(Br)c2C1 ZINC000274478469 183076072 /nfs/dbraw/zinc/07/60/72/183076072.db2.gz DTQPYFQFCPTKOU-UHFFFAOYSA-N 1 2 242.116 1.757 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1[C@H]1C=CCCC1 ZINC000366689579 183115297 /nfs/dbraw/zinc/11/52/97/183115297.db2.gz PNIDQYJTRSLNMM-UWVGGRQHSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1[C@H]1C=CCCC1 ZINC000366689579 183115299 /nfs/dbraw/zinc/11/52/99/183115299.db2.gz PNIDQYJTRSLNMM-UWVGGRQHSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@H]([NH2+]Cc1cnc[nH]1)c1ccsc1 ZINC000308898961 183140581 /nfs/dbraw/zinc/14/05/81/183140581.db2.gz BFYCFHYRSIWCJT-JTQLQIEISA-N 1 2 223.301 1.294 20 0 BDADLO OC[C@H]([NH2+]Cc1ncccn1)c1ccsc1 ZINC000309511984 183141569 /nfs/dbraw/zinc/14/15/69/183141569.db2.gz PRVGSWDSYLLJKS-JTQLQIEISA-N 1 2 235.312 1.361 20 0 BDADLO OC[C@H](Nc1cccc[nH+]1)C1CCOCC1 ZINC000336669207 183142192 /nfs/dbraw/zinc/14/21/92/183142192.db2.gz GPSKKXXAUVIWAM-NSHDSACASA-N 1 2 222.288 1.281 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000336720900 169026483 /nfs/dbraw/zinc/02/64/83/169026483.db2.gz YNWMUSWFPSVTSG-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000336720900 169026486 /nfs/dbraw/zinc/02/64/86/169026486.db2.gz YNWMUSWFPSVTSG-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000114486051 169030213 /nfs/dbraw/zinc/03/02/13/169030213.db2.gz UPWZNZXLYIJKAO-NXEZZACHSA-N 1 2 239.319 1.540 20 0 BDADLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000114486051 169030217 /nfs/dbraw/zinc/03/02/17/169030217.db2.gz UPWZNZXLYIJKAO-NXEZZACHSA-N 1 2 239.319 1.540 20 0 BDADLO OC[C@H]1C=C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000267106120 183146763 /nfs/dbraw/zinc/14/67/63/183146763.db2.gz QDUOWDQBEANQQL-GXSJLCMTSA-N 1 2 231.299 1.703 20 0 BDADLO OC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000040431686 183150203 /nfs/dbraw/zinc/15/02/03/183150203.db2.gz WYDZQVXRGLNEOB-JTQLQIEISA-N 1 2 231.299 1.772 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000086831723 183155562 /nfs/dbraw/zinc/15/55/62/183155562.db2.gz FODGATKMWOTABI-LLVKDONJSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000086831723 183155563 /nfs/dbraw/zinc/15/55/63/183155563.db2.gz FODGATKMWOTABI-LLVKDONJSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000086831613 183155639 /nfs/dbraw/zinc/15/56/39/183155639.db2.gz VQTUPEYVQLFSAR-LLVKDONJSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000086831613 183155640 /nfs/dbraw/zinc/15/56/40/183155640.db2.gz VQTUPEYVQLFSAR-LLVKDONJSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2cncs2)C1 ZINC000289660173 183157874 /nfs/dbraw/zinc/15/78/74/183157874.db2.gz CTJQGOBWBBSBHB-JTQLQIEISA-N 1 2 230.308 1.440 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2cncs2)C1 ZINC000289660173 183157876 /nfs/dbraw/zinc/15/78/76/183157876.db2.gz CTJQGOBWBBSBHB-JTQLQIEISA-N 1 2 230.308 1.440 20 0 BDADLO OCc1ccc(NCC=Cc2ccncc2)[nH+]c1 ZINC000356300920 183163713 /nfs/dbraw/zinc/16/37/13/183163713.db2.gz KKUMDOLWZIJCCO-UPHRSURJSA-N 1 2 241.294 1.516 20 0 BDADLO O[C@@H](C[NH+]1Cc2ccccc2C1)C(F)(F)F ZINC000082680299 183177339 /nfs/dbraw/zinc/17/73/39/183177339.db2.gz CHVYJSKRRQDUSX-JTQLQIEISA-N 1 2 231.217 1.925 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)Cc1cccc(F)c1 ZINC000295110366 183179685 /nfs/dbraw/zinc/17/96/85/183179685.db2.gz LOXSHKATZNXPAE-CYBMUJFWSA-N 1 2 249.289 1.242 20 0 BDADLO OCc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049715146 183168286 /nfs/dbraw/zinc/16/82/86/183168286.db2.gz CSAYZMLLQOOPBW-UHFFFAOYSA-N 1 2 203.245 1.514 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2sccc2Cl)C1 ZINC000294937342 183208320 /nfs/dbraw/zinc/20/83/20/183208320.db2.gz ZZMPXWYHUNYLOJ-QMMMGPOBSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2sccc2Cl)C1 ZINC000294937342 183208321 /nfs/dbraw/zinc/20/83/21/183208321.db2.gz ZZMPXWYHUNYLOJ-QMMMGPOBSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@@H]1C[NH+](Cc2cc(F)ccc2Cl)C[C@H]1O ZINC000236529446 183206802 /nfs/dbraw/zinc/20/68/02/183206802.db2.gz MWXKIEQMZMVIPQ-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)CC1 ZINC000354726702 183192952 /nfs/dbraw/zinc/19/29/52/183192952.db2.gz DUAOCNMJRYIAEC-SNVBAGLBSA-N 1 2 245.273 1.625 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)CC1 ZINC000354726702 183192954 /nfs/dbraw/zinc/19/29/54/183192954.db2.gz DUAOCNMJRYIAEC-SNVBAGLBSA-N 1 2 245.273 1.625 20 0 BDADLO O[C@H](CC[N@@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000367839429 183218828 /nfs/dbraw/zinc/21/88/28/183218828.db2.gz ZYGUYUZGUOEUBK-BFHYXJOUSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@H](CC[N@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000367839429 183218829 /nfs/dbraw/zinc/21/88/29/183218829.db2.gz ZYGUYUZGUOEUBK-BFHYXJOUSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000368326612 183221212 /nfs/dbraw/zinc/22/12/12/183221212.db2.gz DAQIWCYVDQULDN-YNEHKIRRSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000368326612 183221215 /nfs/dbraw/zinc/22/12/15/183221215.db2.gz DAQIWCYVDQULDN-YNEHKIRRSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@@H]1c2ccccc2OC[C@@H]1Nc1cccc[nH+]1 ZINC000377179494 183214981 /nfs/dbraw/zinc/21/49/81/183214981.db2.gz NKVHZNMLCIYQNH-SMDDNHRTSA-N 1 2 242.278 1.988 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364439944 169116281 /nfs/dbraw/zinc/11/62/81/169116281.db2.gz NLKKPRHZYXBQCE-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC000095077766 183236083 /nfs/dbraw/zinc/23/60/83/183236083.db2.gz JYGPSXRRYBXYND-QMMMGPOBSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC000095077766 183236084 /nfs/dbraw/zinc/23/60/84/183236084.db2.gz JYGPSXRRYBXYND-QMMMGPOBSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)CC1 ZINC000328820452 183236091 /nfs/dbraw/zinc/23/60/91/183236091.db2.gz PYDUOMXGIGRKSO-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)CC1 ZINC000328820452 183236094 /nfs/dbraw/zinc/23/60/94/183236094.db2.gz PYDUOMXGIGRKSO-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO O[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000266303660 183237070 /nfs/dbraw/zinc/23/70/70/183237070.db2.gz YWJRKIBPFZFYRG-MNOVXSKESA-N 1 2 233.315 1.927 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC23CCCCC3)[nH]1 ZINC000329296818 183305805 /nfs/dbraw/zinc/30/58/05/183305805.db2.gz OWVZNFWCUCUQJP-UHFFFAOYSA-N 1 2 236.319 1.809 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC23CCCCC3)[nH]1 ZINC000329296818 183305806 /nfs/dbraw/zinc/30/58/06/183305806.db2.gz OWVZNFWCUCUQJP-UHFFFAOYSA-N 1 2 236.319 1.809 20 0 BDADLO Oc1cccc(C[N@H+](C2CC2)C2COC2)c1 ZINC000295919780 183287693 /nfs/dbraw/zinc/28/76/93/183287693.db2.gz DYENWTUOWTWZFH-UHFFFAOYSA-N 1 2 219.284 1.755 20 0 BDADLO Oc1cccc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000295919780 183287695 /nfs/dbraw/zinc/28/76/95/183287695.db2.gz DYENWTUOWTWZFH-UHFFFAOYSA-N 1 2 219.284 1.755 20 0 BDADLO CCC[N@H+](CCO)Cc1c(Cl)cnn1C ZINC000189551117 169165106 /nfs/dbraw/zinc/16/51/06/169165106.db2.gz JEXKULBERVAXPA-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CCC[N@@H+](CCO)Cc1c(Cl)cnn1C ZINC000189551117 169165108 /nfs/dbraw/zinc/16/51/08/169165108.db2.gz JEXKULBERVAXPA-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CCC[N@H+](CCn1cc(C)cn1)CC(=O)OC ZINC000303111868 169169791 /nfs/dbraw/zinc/16/97/91/169169791.db2.gz UHYWZQUBYOZXPP-UHFFFAOYSA-N 1 2 239.319 1.077 20 0 BDADLO CCC[N@@H+](CCn1cc(C)cn1)CC(=O)OC ZINC000303111868 169169793 /nfs/dbraw/zinc/16/97/93/169169793.db2.gz UHYWZQUBYOZXPP-UHFFFAOYSA-N 1 2 239.319 1.077 20 0 BDADLO CCCN(Cc1c[nH+]c[nH]1)CC(F)F ZINC000092737486 169179939 /nfs/dbraw/zinc/17/99/39/169179939.db2.gz YMRSQYWKXDMNGT-UHFFFAOYSA-N 1 2 203.236 1.887 20 0 BDADLO CCCN(Cc1c[nH]c[nH+]1)CC(F)F ZINC000092737486 169179940 /nfs/dbraw/zinc/17/99/40/169179940.db2.gz YMRSQYWKXDMNGT-UHFFFAOYSA-N 1 2 203.236 1.887 20 0 BDADLO CCCN1CCCN(c2cc[nH+]c(C)n2)CC1=O ZINC000276281718 169193596 /nfs/dbraw/zinc/19/35/96/169193596.db2.gz WUEFHIIGNULWED-UHFFFAOYSA-N 1 2 248.330 1.234 20 0 BDADLO c1cc(-c2n[nH]cc2C[NH+]2CCOCC2)cs1 ZINC000336469047 183330522 /nfs/dbraw/zinc/33/05/22/183330522.db2.gz HWABXIFMZWPRMX-UHFFFAOYSA-N 1 2 249.339 1.970 20 0 BDADLO c1cc(C[N@H+](C2CC2)C2COC2)ccn1 ZINC000295610001 183338735 /nfs/dbraw/zinc/33/87/35/183338735.db2.gz DSBZMHRESCIEAE-UHFFFAOYSA-N 1 2 204.273 1.445 20 0 BDADLO c1cc(C[N@@H+](C2CC2)C2COC2)ccn1 ZINC000295610001 183338738 /nfs/dbraw/zinc/33/87/38/183338738.db2.gz DSBZMHRESCIEAE-UHFFFAOYSA-N 1 2 204.273 1.445 20 0 BDADLO c1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)n[nH]1 ZINC000093438507 183339132 /nfs/dbraw/zinc/33/91/32/183339132.db2.gz RUUMOJQEQUKJPS-GFCCVEGCSA-N 1 2 231.303 1.860 20 0 BDADLO c1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)n[nH]1 ZINC000093438507 183339135 /nfs/dbraw/zinc/33/91/35/183339135.db2.gz RUUMOJQEQUKJPS-GFCCVEGCSA-N 1 2 231.303 1.860 20 0 BDADLO c1cc(CNc2cc[nH+]c(C3CC3)n2)ncn1 ZINC000346105971 183349046 /nfs/dbraw/zinc/34/90/46/183349046.db2.gz SBCFGJSHJZEHNL-UHFFFAOYSA-N 1 2 227.271 1.178 20 0 BDADLO CCCNC(=O)C[N@@H+](C/C=C/Cl)CCC ZINC000052246804 169219652 /nfs/dbraw/zinc/21/96/52/169219652.db2.gz PWJIVDJNSMVMOB-AATRIKPKSA-N 1 2 232.755 1.977 20 0 BDADLO CCCNC(=O)C[N@H+](C/C=C/Cl)CCC ZINC000052246804 169219654 /nfs/dbraw/zinc/21/96/54/169219654.db2.gz PWJIVDJNSMVMOB-AATRIKPKSA-N 1 2 232.755 1.977 20 0 BDADLO CCCNC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181338228 169220432 /nfs/dbraw/zinc/22/04/32/169220432.db2.gz FBIGQHSYEZTLLW-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO CCCNC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181338228 169220434 /nfs/dbraw/zinc/22/04/34/169220434.db2.gz FBIGQHSYEZTLLW-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc2c1OCO2 ZINC000049049708 183368005 /nfs/dbraw/zinc/36/80/05/183368005.db2.gz RMWMGCZBVOPMRQ-PHIMTYICSA-N 1 2 233.267 1.388 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc2c1OCO2 ZINC000049049708 183368007 /nfs/dbraw/zinc/36/80/07/183368007.db2.gz RMWMGCZBVOPMRQ-PHIMTYICSA-N 1 2 233.267 1.388 20 0 BDADLO c1[nH]nc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)ccc12 ZINC000366546344 183374077 /nfs/dbraw/zinc/37/40/77/183374077.db2.gz UJGJJPWHICMFJK-QWHCGFSZSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]43)ccc12 ZINC000366546344 183374079 /nfs/dbraw/zinc/37/40/79/183374079.db2.gz UJGJJPWHICMFJK-QWHCGFSZSA-N 1 2 229.283 1.536 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000265975750 169299097 /nfs/dbraw/zinc/29/90/97/169299097.db2.gz BJJHOXSOVVEGDA-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO CCCS(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000331293666 169333321 /nfs/dbraw/zinc/33/33/21/169333321.db2.gz BYWQVUKYOPDCOH-SECBINFHSA-N 1 2 245.348 1.436 20 0 BDADLO CCCSCC(=O)Nc1ccc(N)[nH+]c1 ZINC000236836733 169338788 /nfs/dbraw/zinc/33/87/88/169338788.db2.gz HENBGEIZNWSYGN-UHFFFAOYSA-N 1 2 225.317 1.746 20 0 BDADLO CCC[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290991265 169349410 /nfs/dbraw/zinc/34/94/10/169349410.db2.gz XHNMOSMDRVLXFM-SNVBAGLBSA-N 1 2 221.304 1.662 20 0 BDADLO CCC[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000295417732 169383471 /nfs/dbraw/zinc/38/34/71/169383471.db2.gz MEHBCOSDKASRSK-VIFPVBQESA-N 1 2 225.292 1.263 20 0 BDADLO CCC[C@@H](CNc1cc(C)[nH+]cn1)OC ZINC000356389221 169383808 /nfs/dbraw/zinc/38/38/08/169383808.db2.gz BOUUCXNBWAPCBS-JTQLQIEISA-N 1 2 209.293 1.434 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000182546344 134345901 /nfs/dbraw/zinc/34/59/01/134345901.db2.gz BVONPQMFDZNONK-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+](C)C2CCC2)no1 ZINC000182509709 134345488 /nfs/dbraw/zinc/34/54/88/134345488.db2.gz CCVMPMQZPNOUPD-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO COCc1nc(C[N@@H+](C)C2CCC2)no1 ZINC000182509709 134345489 /nfs/dbraw/zinc/34/54/89/134345489.db2.gz CCVMPMQZPNOUPD-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO CC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000185241751 134375528 /nfs/dbraw/zinc/37/55/28/134375528.db2.gz OBEZLJFPSGSYJM-UHFFFAOYSA-N 1 2 224.308 1.368 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCN(C)C2=O)cs1 ZINC000227225329 134376429 /nfs/dbraw/zinc/37/64/29/134376429.db2.gz UZQULDYVTJEYPT-APPZFPTMSA-N 1 2 239.344 1.333 20 0 BDADLO Cc1ncccc1C[N@H+](C1CC1)C1COC1 ZINC000449351767 383927454 /nfs/dbraw/zinc/92/74/54/383927454.db2.gz RDOLPHXMQKVDTR-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ncccc1C[N@@H+](C1CC1)C1COC1 ZINC000449351767 383927466 /nfs/dbraw/zinc/92/74/66/383927466.db2.gz RDOLPHXMQKVDTR-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccco1 ZINC000558348513 383932574 /nfs/dbraw/zinc/93/25/74/383932574.db2.gz OPAJIRGKFJHZSJ-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO Cc1cc(C)cc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088357755 383895990 /nfs/dbraw/zinc/89/59/90/383895990.db2.gz JPAYRCKBJYNUQZ-LBPRGKRZSA-N 1 2 234.299 1.230 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119850102 383900966 /nfs/dbraw/zinc/90/09/66/383900966.db2.gz RKHUMLCRNRLETP-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1nonc1C[N@H+](CCO)Cc1ccccc1 ZINC000070269573 383904613 /nfs/dbraw/zinc/90/46/13/383904613.db2.gz GHKWQPKHXMLIJK-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1nonc1C[N@@H+](CCO)Cc1ccccc1 ZINC000070269573 383904615 /nfs/dbraw/zinc/90/46/15/383904615.db2.gz GHKWQPKHXMLIJK-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC1 ZINC000068234359 383982151 /nfs/dbraw/zinc/98/21/51/383982151.db2.gz FOCXKNIBYUAIBY-UHFFFAOYSA-N 1 2 201.229 1.180 20 0 BDADLO C/C=C/C=C/C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650843 383952393 /nfs/dbraw/zinc/95/23/93/383952393.db2.gz CSJPDGYVGBGPIE-VNKDHWASSA-N 1 2 205.261 1.500 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733026 383961617 /nfs/dbraw/zinc/96/16/17/383961617.db2.gz NCNZVMLLWPSJKK-QMMMGPOBSA-N 1 2 227.333 1.272 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCSC1 ZINC000070818998 383964361 /nfs/dbraw/zinc/96/43/61/383964361.db2.gz ZWKFEYPLSDROJR-QMMMGPOBSA-N 1 2 225.317 1.121 20 0 BDADLO C[C@H]([NH2+]CC1=CCCC1)c1ncn(C)n1 ZINC000401125218 383964623 /nfs/dbraw/zinc/96/46/23/383964623.db2.gz TWGISCMUHCMZKP-VIFPVBQESA-N 1 2 206.293 1.576 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000560214889 383976496 /nfs/dbraw/zinc/97/64/96/383976496.db2.gz OBEHITLWPVVIRW-MNOVXSKESA-N 1 2 236.319 1.053 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000560214889 383976499 /nfs/dbraw/zinc/97/64/99/383976499.db2.gz OBEHITLWPVVIRW-MNOVXSKESA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000560214889 383976502 /nfs/dbraw/zinc/97/65/02/383976502.db2.gz OBEHITLWPVVIRW-MNOVXSKESA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000560214889 383976505 /nfs/dbraw/zinc/97/65/05/383976505.db2.gz OBEHITLWPVVIRW-MNOVXSKESA-N 1 2 236.319 1.053 20 0 BDADLO CC[C@H](NCc1c[nH+]cn1C)C(F)F ZINC000449360493 383976901 /nfs/dbraw/zinc/97/69/01/383976901.db2.gz JOHNNQUJAVMZRY-QMMMGPOBSA-N 1 2 203.236 1.553 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCCC1 ZINC000073170840 384023811 /nfs/dbraw/zinc/02/38/11/384023811.db2.gz IZQRULSZHNZNFS-UHFFFAOYSA-N 1 2 205.261 1.116 20 0 BDADLO CO[C@@H](CNc1ccc(N(C)C)[nH+]c1)C1CC1 ZINC000400257127 384005333 /nfs/dbraw/zinc/00/53/33/384005333.db2.gz GHRWIXMYDONKBA-LBPRGKRZSA-N 1 2 235.331 1.985 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000336505732 384028936 /nfs/dbraw/zinc/02/89/36/384028936.db2.gz ZGYNPBZSWHCOBD-VXGBXAGGSA-N 1 2 214.328 1.905 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000336505732 384028945 /nfs/dbraw/zinc/02/89/45/384028945.db2.gz ZGYNPBZSWHCOBD-VXGBXAGGSA-N 1 2 214.328 1.905 20 0 BDADLO CC(C)C(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000564802418 384086374 /nfs/dbraw/zinc/08/63/74/384086374.db2.gz FVLMWDLDKYONPX-UHFFFAOYSA-N 1 2 223.320 1.513 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1ccccn1 ZINC000069794810 384063879 /nfs/dbraw/zinc/06/38/79/384063879.db2.gz VNVQUQZFBGSNBF-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO CC[C@H]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000560328373 384073648 /nfs/dbraw/zinc/07/36/48/384073648.db2.gz ZYSZBIIKKMFHRX-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO FCC(CF)[NH2+]Cc1cnn2ccccc12 ZINC000449382323 384108267 /nfs/dbraw/zinc/10/82/67/384108267.db2.gz WHDLNMOMLCXRBF-UHFFFAOYSA-N 1 2 225.242 1.732 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000070501966 384114132 /nfs/dbraw/zinc/11/41/32/384114132.db2.gz LOZCNTJLLSQQOI-UHFFFAOYSA-N 1 2 233.311 1.780 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000070501966 384114139 /nfs/dbraw/zinc/11/41/39/384114139.db2.gz LOZCNTJLLSQQOI-UHFFFAOYSA-N 1 2 233.311 1.780 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000041015615 384174622 /nfs/dbraw/zinc/17/46/22/384174622.db2.gz LWJRGLCVTGTWHR-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116995289 384160341 /nfs/dbraw/zinc/16/03/41/384160341.db2.gz BNFKMVFMNHZFQL-LBPRGKRZSA-N 1 2 239.315 1.998 20 0 BDADLO CCOCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116995289 384160345 /nfs/dbraw/zinc/16/03/45/384160345.db2.gz BNFKMVFMNHZFQL-LBPRGKRZSA-N 1 2 239.315 1.998 20 0 BDADLO CCOCCO[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000092067423 384162963 /nfs/dbraw/zinc/16/29/63/384162963.db2.gz XFYNITZKTFEOBG-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO CCOCCO[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000092067423 384162966 /nfs/dbraw/zinc/16/29/66/384162966.db2.gz XFYNITZKTFEOBG-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000574338079 384177814 /nfs/dbraw/zinc/17/78/14/384177814.db2.gz ABPQAPIPNOETMF-KXUCPTDWSA-N 1 2 237.303 1.793 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000574338079 384177820 /nfs/dbraw/zinc/17/78/20/384177820.db2.gz ABPQAPIPNOETMF-KXUCPTDWSA-N 1 2 237.303 1.793 20 0 BDADLO CC[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H](C)O ZINC000642913872 384179383 /nfs/dbraw/zinc/17/93/83/384179383.db2.gz BAPKLWMAWPQJTG-KOLCDFICSA-N 1 2 247.298 1.680 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336583915 384183046 /nfs/dbraw/zinc/18/30/46/384183046.db2.gz SHSQYNGRHARQMG-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@@H](C)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336583915 384183050 /nfs/dbraw/zinc/18/30/50/384183050.db2.gz SHSQYNGRHARQMG-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO COC(=O)C[N@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000118006461 384187716 /nfs/dbraw/zinc/18/77/16/384187716.db2.gz SDJQEFHNGYZMLX-CYBMUJFWSA-N 1 2 249.310 1.357 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000118006461 384187720 /nfs/dbraw/zinc/18/77/20/384187720.db2.gz SDJQEFHNGYZMLX-CYBMUJFWSA-N 1 2 249.310 1.357 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000042540050 384230726 /nfs/dbraw/zinc/23/07/26/384230726.db2.gz TUXASIZVSROUBC-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cc1ccc([C@@H](C)N[C@H]2CC[N@H+](C)C2)o1 ZINC000042544287 384232026 /nfs/dbraw/zinc/23/20/26/384232026.db2.gz JUHPLJXIWKHCPT-MNOVXSKESA-N 1 2 208.305 1.943 20 0 BDADLO Cc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)C2)o1 ZINC000042544287 384232031 /nfs/dbraw/zinc/23/20/31/384232031.db2.gz JUHPLJXIWKHCPT-MNOVXSKESA-N 1 2 208.305 1.943 20 0 BDADLO COC(=O)[C@H](C)SCc1[nH+]ccn1C ZINC000158457543 384233396 /nfs/dbraw/zinc/23/33/96/384233396.db2.gz PJKOSKXFZFEGED-ZETCQYMHSA-N 1 2 214.290 1.215 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnc3cnccn23)[C@H]1C ZINC000093417864 384237054 /nfs/dbraw/zinc/23/70/54/384237054.db2.gz MMFTVOHPQCEOOQ-QWRGUYRKSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnc3cnccn23)[C@H]1C ZINC000093417864 384237061 /nfs/dbraw/zinc/23/70/61/384237061.db2.gz MMFTVOHPQCEOOQ-QWRGUYRKSA-N 1 2 246.314 1.339 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1C ZINC000093441163 384237875 /nfs/dbraw/zinc/23/78/75/384237875.db2.gz DXGNTKMHNWWJPL-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1c[nH]nc1C ZINC000093441163 384237880 /nfs/dbraw/zinc/23/78/80/384237880.db2.gz DXGNTKMHNWWJPL-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000093440998 384238813 /nfs/dbraw/zinc/23/88/13/384238813.db2.gz ULNOZAHIJAAENI-GFCCVEGCSA-N 1 2 236.315 1.553 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccn(C)c1 ZINC000093440998 384238819 /nfs/dbraw/zinc/23/88/19/384238819.db2.gz ULNOZAHIJAAENI-GFCCVEGCSA-N 1 2 236.315 1.553 20 0 BDADLO CCOC(=O)C[C@H](C)CNc1cc[nH+]c(C)n1 ZINC000132257959 384223000 /nfs/dbraw/zinc/22/30/00/384223000.db2.gz COJXVLLMWSFAMP-VIFPVBQESA-N 1 2 237.303 1.786 20 0 BDADLO Cc1ccc(O)c(C[NH+]2CCN(C(C)C)CC2)n1 ZINC000132261587 384223582 /nfs/dbraw/zinc/22/35/82/384223582.db2.gz KJAGSPKVTRHMCB-UHFFFAOYSA-N 1 2 249.358 1.622 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000072588714 384226912 /nfs/dbraw/zinc/22/69/12/384226912.db2.gz OXJYHQUEIGXGTF-CYBMUJFWSA-N 1 2 249.310 1.357 20 0 BDADLO Cc1ccoc1C[N@H+](C)CCCS(C)(=O)=O ZINC000093709749 384266126 /nfs/dbraw/zinc/26/61/26/384266126.db2.gz QAIWVVAMWMDDCV-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CCCS(C)(=O)=O ZINC000093709749 384266130 /nfs/dbraw/zinc/26/61/30/384266130.db2.gz QAIWVVAMWMDDCV-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000093771302 384268587 /nfs/dbraw/zinc/26/85/87/384268587.db2.gz VZZDEOUADRCALV-NSHDSACASA-N 1 2 222.288 1.380 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000093771302 384268595 /nfs/dbraw/zinc/26/85/95/384268595.db2.gz VZZDEOUADRCALV-NSHDSACASA-N 1 2 222.288 1.380 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccs1 ZINC000093771448 384270181 /nfs/dbraw/zinc/27/01/81/384270181.db2.gz JBIRCLQFTUUKAZ-NSHDSACASA-N 1 2 238.356 1.849 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000093771448 384270187 /nfs/dbraw/zinc/27/01/87/384270187.db2.gz JBIRCLQFTUUKAZ-NSHDSACASA-N 1 2 238.356 1.849 20 0 BDADLO CCN1C[C@H](Nc2cccc[nH+]2)CC1=O ZINC000335434337 384272616 /nfs/dbraw/zinc/27/26/16/384272616.db2.gz IQHXJHZHKXUPFB-SECBINFHSA-N 1 2 205.261 1.114 20 0 BDADLO C[C@@H](O)CCN(C)c1[nH+]c2ccccc2n1C ZINC000133938040 384321088 /nfs/dbraw/zinc/32/10/88/384321088.db2.gz WSOQSSSVGIJALR-SNVBAGLBSA-N 1 2 233.315 1.780 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000158909340 384287449 /nfs/dbraw/zinc/28/74/49/384287449.db2.gz ADFYUTLIDDCNKF-MRVPVSSYSA-N 1 2 243.253 1.958 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000158909340 384287455 /nfs/dbraw/zinc/28/74/55/384287455.db2.gz ADFYUTLIDDCNKF-MRVPVSSYSA-N 1 2 243.253 1.958 20 0 BDADLO CSC1(CNc2ccc(CO)c[nH+]2)CC1 ZINC000291656588 384301108 /nfs/dbraw/zinc/30/11/08/384301108.db2.gz VBJKKCNHNOEWPL-UHFFFAOYSA-N 1 2 224.329 1.881 20 0 BDADLO Cc1cccnc1CNc1nc(C)[nH+]c(N)n1 ZINC000302574310 384346533 /nfs/dbraw/zinc/34/65/33/384346533.db2.gz AROFFEWIAKPDRY-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1cccnc1CNc1nc(N)nc(C)[nH+]1 ZINC000302574310 384346538 /nfs/dbraw/zinc/34/65/38/384346538.db2.gz AROFFEWIAKPDRY-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)nc1C ZINC000298051039 384354360 /nfs/dbraw/zinc/35/43/60/384354360.db2.gz GULGUXDAQZZZCZ-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1c[nH]nc1C(C)(C)C ZINC000188070184 384357470 /nfs/dbraw/zinc/35/74/70/384357470.db2.gz POJBZJZHHFNGTM-UHFFFAOYSA-N 1 2 238.335 1.014 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1c[nH]nc1C(C)(C)C ZINC000188070184 384357479 /nfs/dbraw/zinc/35/74/79/384357479.db2.gz POJBZJZHHFNGTM-UHFFFAOYSA-N 1 2 238.335 1.014 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000304476567 384324473 /nfs/dbraw/zinc/32/44/73/384324473.db2.gz NZCOYSAPMGHDMB-IONNQARKSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC[C@@H]2C)[nH+]1 ZINC000304476567 384324477 /nfs/dbraw/zinc/32/44/77/384324477.db2.gz NZCOYSAPMGHDMB-IONNQARKSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000304494381 384329793 /nfs/dbraw/zinc/32/97/93/384329793.db2.gz PPRHVQYTHAOLGC-VXNVDRBHSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000304494381 384329800 /nfs/dbraw/zinc/32/98/00/384329800.db2.gz PPRHVQYTHAOLGC-VXNVDRBHSA-N 1 2 221.308 1.753 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+](C)C2CC2)n1 ZINC000175095619 384394318 /nfs/dbraw/zinc/39/43/18/384394318.db2.gz QXWVMQWNUGEFAP-ZETCQYMHSA-N 1 2 211.265 1.371 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+](C)C2CC2)n1 ZINC000175095619 384394323 /nfs/dbraw/zinc/39/43/23/384394323.db2.gz QXWVMQWNUGEFAP-ZETCQYMHSA-N 1 2 211.265 1.371 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)SC)C(=O)OC ZINC000169071191 384401567 /nfs/dbraw/zinc/40/15/67/384401567.db2.gz YTNRILBJEUPHSM-YUMQZZPRSA-N 1 2 205.323 1.279 20 0 BDADLO CC[C@H](COC)NC(=O)Nc1cc[nH+]cc1C ZINC000121255796 384406833 /nfs/dbraw/zinc/40/68/33/384406833.db2.gz OHFATXOYIJOVEY-SNVBAGLBSA-N 1 2 237.303 1.937 20 0 BDADLO CCc1cc(NC(=O)NCc2[nH]cc[nH+]2)n(C)n1 ZINC000121343165 384413543 /nfs/dbraw/zinc/41/35/43/384413543.db2.gz SOOMDNYPODQTAI-UHFFFAOYSA-N 1 2 248.290 1.027 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334061790 384417537 /nfs/dbraw/zinc/41/75/37/384417537.db2.gz YWDZJRKFZNBNAD-ZDUSSCGKSA-N 1 2 247.342 1.665 20 0 BDADLO Nc1ncccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334061790 384417545 /nfs/dbraw/zinc/41/75/45/384417545.db2.gz YWDZJRKFZNBNAD-ZDUSSCGKSA-N 1 2 247.342 1.665 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@]1(C)CCOC1 ZINC000121912371 384445587 /nfs/dbraw/zinc/44/55/87/384445587.db2.gz NWXOMNMKZHMMPG-GFCCVEGCSA-N 1 2 235.287 1.691 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000568169503 384449893 /nfs/dbraw/zinc/44/98/93/384449893.db2.gz LWTNRABUOFOZDE-ZDUSSCGKSA-N 1 2 231.299 1.564 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000568169503 384449898 /nfs/dbraw/zinc/44/98/98/384449898.db2.gz LWTNRABUOFOZDE-ZDUSSCGKSA-N 1 2 231.299 1.564 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000568169502 384450082 /nfs/dbraw/zinc/45/00/82/384450082.db2.gz LWTNRABUOFOZDE-CYBMUJFWSA-N 1 2 231.299 1.564 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000568169502 384450087 /nfs/dbraw/zinc/45/00/87/384450087.db2.gz LWTNRABUOFOZDE-CYBMUJFWSA-N 1 2 231.299 1.564 20 0 BDADLO CCC[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121831455 384443067 /nfs/dbraw/zinc/44/30/67/384443067.db2.gz XZDNMLVTVAAUBX-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121831455 384443072 /nfs/dbraw/zinc/44/30/72/384443072.db2.gz XZDNMLVTVAAUBX-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1cc(N2C[C@@H](C)O[C@@H](C3CC3)C2)nc[nH+]1 ZINC000359736217 384466652 /nfs/dbraw/zinc/46/66/52/384466652.db2.gz NXRDCBZJQIADPG-ZYHUDNBSSA-N 1 2 233.315 1.789 20 0 BDADLO CCc1cc(NC[C@H](O)C2CC2)nc[nH+]1 ZINC000070917392 384471742 /nfs/dbraw/zinc/47/17/42/384471742.db2.gz NBDKXHKUEUTPPC-JTQLQIEISA-N 1 2 207.277 1.222 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H](C)C2CC2)c[nH+]1 ZINC000600968882 384472972 /nfs/dbraw/zinc/47/29/72/384472972.db2.gz KVUSEUPSXKHKAC-SSDOTTSWSA-N 1 2 207.277 1.494 20 0 BDADLO CCc1cc(N[C@H]2CO[C@@H](C)C2)nc[nH+]1 ZINC000402125831 384496929 /nfs/dbraw/zinc/49/69/29/384496929.db2.gz FZQAXUJXKFHJIL-WCBMZHEXSA-N 1 2 207.277 1.628 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000568207505 384506122 /nfs/dbraw/zinc/50/61/22/384506122.db2.gz IOSLEYXVFRMKMN-UWVGGRQHSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000568207505 384506130 /nfs/dbraw/zinc/50/61/30/384506130.db2.gz IOSLEYXVFRMKMN-UWVGGRQHSA-N 1 2 249.314 1.026 20 0 BDADLO CCn1c[nH+]cc1CNCC(F)(F)F ZINC000085182915 384509678 /nfs/dbraw/zinc/50/96/78/384509678.db2.gz UBRGNNJYXSZOIQ-UHFFFAOYSA-N 1 2 207.199 1.555 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC23CC3)cc[nH+]1 ZINC000335021024 384489958 /nfs/dbraw/zinc/48/99/58/384489958.db2.gz KBPWPHVCCXEQPP-SNVBAGLBSA-N 1 2 202.257 1.551 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000300763790 384534455 /nfs/dbraw/zinc/53/44/55/384534455.db2.gz ONZRQASTTYDVSS-SSDOTTSWSA-N 1 2 213.306 1.025 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000300763790 384534459 /nfs/dbraw/zinc/53/44/59/384534459.db2.gz ONZRQASTTYDVSS-SSDOTTSWSA-N 1 2 213.306 1.025 20 0 BDADLO Cc1noc(C)c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000049086972 384521881 /nfs/dbraw/zinc/52/18/81/384521881.db2.gz HHSJMOYRQFXEFS-UHFFFAOYSA-N 1 2 248.286 1.297 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1C ZINC000123492850 384561701 /nfs/dbraw/zinc/56/17/01/384561701.db2.gz KXKUXVWXRHDJRT-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1C ZINC000123492850 384561707 /nfs/dbraw/zinc/56/17/07/384561707.db2.gz KXKUXVWXRHDJRT-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccnn2C)s1 ZINC000080205445 384536893 /nfs/dbraw/zinc/53/68/93/384536893.db2.gz YMWGCQXYUDGBLX-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1nc(N(C[C@@H]2CCOC2)C2CC2)cc[nH+]1 ZINC000184164662 384575906 /nfs/dbraw/zinc/57/59/06/384575906.db2.gz GCAKXNPAEJFENM-NSHDSACASA-N 1 2 233.315 1.790 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000050048745 384586373 /nfs/dbraw/zinc/58/63/73/384586373.db2.gz WUJPBJUFBWBLDF-GFCCVEGCSA-N 1 2 237.274 1.963 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000050048745 384586378 /nfs/dbraw/zinc/58/63/78/384586378.db2.gz WUJPBJUFBWBLDF-GFCCVEGCSA-N 1 2 237.274 1.963 20 0 BDADLO CC(C)SCC(=O)NCCCn1cc[nH+]c1 ZINC000518009100 384617918 /nfs/dbraw/zinc/61/79/18/384617918.db2.gz ZBOHTYSIJJMFLE-UHFFFAOYSA-N 1 2 241.360 1.531 20 0 BDADLO COC1(CNc2nc(C)[nH+]cc2C)CCCC1 ZINC000568249360 384623884 /nfs/dbraw/zinc/62/38/84/384623884.db2.gz OHQZXOSKRMGSSO-UHFFFAOYSA-N 1 2 235.331 1.886 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCNC(=O)[C@@H]2C)s1 ZINC000172775649 384627305 /nfs/dbraw/zinc/62/73/05/384627305.db2.gz ULFOKUWINWAZTR-QMMMGPOBSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCNC(=O)[C@@H]2C)s1 ZINC000172775649 384627309 /nfs/dbraw/zinc/62/73/09/384627309.db2.gz ULFOKUWINWAZTR-QMMMGPOBSA-N 1 2 239.344 1.080 20 0 BDADLO COC(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172788377 384628329 /nfs/dbraw/zinc/62/83/29/384628329.db2.gz INZBTNVFGRHCPX-UHFFFAOYSA-N 1 2 244.294 1.699 20 0 BDADLO COC(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172788377 384628337 /nfs/dbraw/zinc/62/83/37/384628337.db2.gz INZBTNVFGRHCPX-UHFFFAOYSA-N 1 2 244.294 1.699 20 0 BDADLO C[C@@H](N(C)C(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000559132308 384592750 /nfs/dbraw/zinc/59/27/50/384592750.db2.gz NRUZKLVRDZZYRF-SNVBAGLBSA-N 1 2 223.320 1.776 20 0 BDADLO CC[C@H](COC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000172505361 384601322 /nfs/dbraw/zinc/60/13/22/384601322.db2.gz DQRHQKPGAIHLTQ-LLVKDONJSA-N 1 2 247.298 1.489 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000045598226 384664884 /nfs/dbraw/zinc/66/48/84/384664884.db2.gz IXBGQZHXODKTED-UWVGGRQHSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000045598226 384664890 /nfs/dbraw/zinc/66/48/90/384664890.db2.gz IXBGQZHXODKTED-UWVGGRQHSA-N 1 2 229.320 1.437 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363610502 384671195 /nfs/dbraw/zinc/67/11/95/384671195.db2.gz NQPIMGUTZIQWNI-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCc1nc(C)c(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000428472943 384674581 /nfs/dbraw/zinc/67/45/81/384674581.db2.gz KKXUUQNEIXYSIP-UHFFFAOYSA-N 1 2 239.319 1.065 20 0 BDADLO CCc1nc(C)c(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000428472943 384674591 /nfs/dbraw/zinc/67/45/91/384674591.db2.gz KKXUUQNEIXYSIP-UHFFFAOYSA-N 1 2 239.319 1.065 20 0 BDADLO Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)o1 ZINC000172997009 384644418 /nfs/dbraw/zinc/64/44/18/384644418.db2.gz VQOBJVNZGGLAIV-JTQLQIEISA-N 1 2 247.298 1.851 20 0 BDADLO O=[S@]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309498177 384654718 /nfs/dbraw/zinc/65/47/18/384654718.db2.gz KUCBQHYXOBQEAP-ABKXIKBNSA-N 1 2 237.328 1.287 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCCc1c[nH+]cn1C ZINC000518083544 384655993 /nfs/dbraw/zinc/65/59/93/384655993.db2.gz UCICNKJJEMSBKL-FZMZJTMJSA-N 1 2 249.358 1.905 20 0 BDADLO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)o1 ZINC000124779359 384676856 /nfs/dbraw/zinc/67/68/56/384676856.db2.gz VWTVCFGJMGDNJM-LBPRGKRZSA-N 1 2 237.299 1.979 20 0 BDADLO CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)o1 ZINC000124779359 384676859 /nfs/dbraw/zinc/67/68/59/384676859.db2.gz VWTVCFGJMGDNJM-LBPRGKRZSA-N 1 2 237.299 1.979 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000368332076 384683920 /nfs/dbraw/zinc/68/39/20/384683920.db2.gz PGKYKNUCNHVYEE-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCc2ncccc2C1 ZINC000368332076 384683925 /nfs/dbraw/zinc/68/39/25/384683925.db2.gz PGKYKNUCNHVYEE-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO Cc1nc(N[C@@H]2CC[S@@](=O)C2)c(F)c(C)[nH+]1 ZINC000309886345 384690933 /nfs/dbraw/zinc/69/09/33/384690933.db2.gz YMQCMAYRAYVEAL-VPTHRUTESA-N 1 2 243.307 1.165 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101866518 384693799 /nfs/dbraw/zinc/69/37/99/384693799.db2.gz PVWNCIRQKVRQMK-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO COCC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000082784067 384716244 /nfs/dbraw/zinc/71/62/44/384716244.db2.gz IXQAMXROSYALCI-UWVGGRQHSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000360486767 384772057 /nfs/dbraw/zinc/77/20/57/384772057.db2.gz FTGSQNSXLLOCET-JTQLQIEISA-N 1 2 245.282 1.466 20 0 BDADLO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000375896464 384828883 /nfs/dbraw/zinc/82/88/83/384828883.db2.gz XBLGIPGBJBDOGC-FUXNSRLFSA-N 1 2 241.360 1.144 20 0 BDADLO CCNC(=O)C(C)(C)[NH2+]Cc1csc(C)n1 ZINC000312863564 384787599 /nfs/dbraw/zinc/78/75/99/384787599.db2.gz WSDQDGQVJRJVOT-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO CCc1cc(N)nc(S[C@H](C)C(C)=O)[nH+]1 ZINC000279085236 384790109 /nfs/dbraw/zinc/79/01/09/384790109.db2.gz MMXKYNHPEIPCJZ-SSDOTTSWSA-N 1 2 225.317 1.691 20 0 BDADLO CCc1cc(Nc2cnn(C)c2)nc(C)[nH+]1 ZINC000084082010 384836428 /nfs/dbraw/zinc/83/64/28/384836428.db2.gz JUOWIFOFMIXGKI-UHFFFAOYSA-N 1 2 217.276 1.825 20 0 BDADLO CCCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000174556873 384805373 /nfs/dbraw/zinc/80/53/73/384805373.db2.gz AWJDOAWEVFZHKC-NSHDSACASA-N 1 2 223.320 1.968 20 0 BDADLO Cc1cc(C)c2c(c1)C[N@H+]([C@H]1CCOC1=O)CC2 ZINC000186727161 384874078 /nfs/dbraw/zinc/87/40/78/384874078.db2.gz QXGPCFFTXYWKKY-AWEZNQCLSA-N 1 2 245.322 1.977 20 0 BDADLO Cc1cc(C)c2c(c1)C[N@@H+]([C@H]1CCOC1=O)CC2 ZINC000186727161 384874083 /nfs/dbraw/zinc/87/40/83/384874083.db2.gz QXGPCFFTXYWKKY-AWEZNQCLSA-N 1 2 245.322 1.977 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H](C)CF)nn1 ZINC000308643245 384886300 /nfs/dbraw/zinc/88/63/00/384886300.db2.gz FZWKBLAGZLLPAK-MRVPVSSYSA-N 1 2 200.261 1.307 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000310131520 384851825 /nfs/dbraw/zinc/85/18/25/384851825.db2.gz YGHYPWQHVMYNNA-SDDRHHMPSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cc(C)[nH+]cn1 ZINC000301278228 384866102 /nfs/dbraw/zinc/86/61/02/384866102.db2.gz ZIQMXXULOPILFH-WCBMZHEXSA-N 1 2 209.293 1.604 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000187534404 384954471 /nfs/dbraw/zinc/95/44/71/384954471.db2.gz PPCVEWNOVMYINJ-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO c1coc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000187534404 384954482 /nfs/dbraw/zinc/95/44/82/384954482.db2.gz PPCVEWNOVMYINJ-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO CN(Cc1cscn1)Cc1[nH+]ccn1C ZINC000057620440 384957915 /nfs/dbraw/zinc/95/79/15/384957915.db2.gz ZFZZMRGWTCCNLE-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@H](F)C1 ZINC000336263172 384890610 /nfs/dbraw/zinc/89/06/10/384890610.db2.gz VWMWUWQEMOFKKJ-AAEUAGOBSA-N 1 2 248.301 1.984 20 0 BDADLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CC[C@H](F)C1 ZINC000336263172 384890616 /nfs/dbraw/zinc/89/06/16/384890616.db2.gz VWMWUWQEMOFKKJ-AAEUAGOBSA-N 1 2 248.301 1.984 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360183393 384899682 /nfs/dbraw/zinc/89/96/82/384899682.db2.gz KRBGFPOUVJRLRN-NXEZZACHSA-N 1 2 239.319 1.287 20 0 BDADLO Cc1cc(NC(=O)CCc2nnc[nH]2)cc[nH+]1 ZINC000177209560 384910398 /nfs/dbraw/zinc/91/03/98/384910398.db2.gz QNXWJLXWFBWTBS-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO Cn1ccc(C[NH2+]C(C)(C)c2nccs2)n1 ZINC000164097736 384915854 /nfs/dbraw/zinc/91/58/54/384915854.db2.gz FOXUPTWWFRBMIL-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO CCNC(=O)CN(C)Cc1c[nH+]cn1C(C)C ZINC000644900950 384918539 /nfs/dbraw/zinc/91/85/39/384918539.db2.gz SJZIJNDOJWTCPF-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000127680493 384934860 /nfs/dbraw/zinc/93/48/60/384934860.db2.gz PEFRKGQERFHDNO-LLVKDONJSA-N 1 2 220.272 1.392 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]C1COC1)CO2 ZINC000376857854 384936725 /nfs/dbraw/zinc/93/67/25/384936725.db2.gz JEYOVHBCGJWSOT-NSHDSACASA-N 1 2 205.257 1.417 20 0 BDADLO CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000557443731 384947527 /nfs/dbraw/zinc/94/75/27/384947527.db2.gz FPQZWGUIDPTKNF-SSDOTTSWSA-N 1 2 249.236 1.592 20 0 BDADLO CC[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000057893679 384970241 /nfs/dbraw/zinc/97/02/41/384970241.db2.gz CQXWSJUEEXUWTP-SECBINFHSA-N 1 2 217.272 1.863 20 0 BDADLO CCSCC[C@H](C)[N@H+](C)Cc1ncnn1C ZINC000177360197 384983249 /nfs/dbraw/zinc/98/32/49/384983249.db2.gz HPAQPGAAVZTLSW-JTQLQIEISA-N 1 2 242.392 1.779 20 0 BDADLO CCSCC[C@H](C)[N@@H+](C)Cc1ncnn1C ZINC000177360197 384983259 /nfs/dbraw/zinc/98/32/59/384983259.db2.gz HPAQPGAAVZTLSW-JTQLQIEISA-N 1 2 242.392 1.779 20 0 BDADLO CSC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000187846528 384986899 /nfs/dbraw/zinc/98/68/99/384986899.db2.gz WCUGCMZCAYMGAW-VIFPVBQESA-N 1 2 232.374 1.299 20 0 BDADLO CSC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000187846528 384986907 /nfs/dbraw/zinc/98/69/07/384986907.db2.gz WCUGCMZCAYMGAW-VIFPVBQESA-N 1 2 232.374 1.299 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000115575535 384997808 /nfs/dbraw/zinc/99/78/08/384997808.db2.gz VJCULMIBNBJLQD-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000115575535 384997815 /nfs/dbraw/zinc/99/78/15/384997815.db2.gz VJCULMIBNBJLQD-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO Cn1cc[nH+]c1CN1Cc2ccccc2C1 ZINC000107306435 384963618 /nfs/dbraw/zinc/96/36/18/384963618.db2.gz SWZBIUWHJLFENV-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO CCC[C@H](CNc1nc[nH+]c(N)c1Cl)OC ZINC000294611003 385054210 /nfs/dbraw/zinc/05/42/10/385054210.db2.gz HVVAGZIGYKMRDO-SSDOTTSWSA-N 1 2 244.726 1.939 20 0 BDADLO CCC[C@H](CNc1[nH+]cnc(N)c1Cl)OC ZINC000294611003 385054218 /nfs/dbraw/zinc/05/42/18/385054218.db2.gz HVVAGZIGYKMRDO-SSDOTTSWSA-N 1 2 244.726 1.939 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CCCOCC1 ZINC000312994048 385062462 /nfs/dbraw/zinc/06/24/62/385062462.db2.gz NGMUOVRKPOQZFB-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CCCOCC1 ZINC000312994048 385062470 /nfs/dbraw/zinc/06/24/70/385062470.db2.gz NGMUOVRKPOQZFB-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CO[C@]1(C)C[C@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000165080994 385066975 /nfs/dbraw/zinc/06/69/75/385066975.db2.gz FTBPPVZDSSVYJJ-CMPLNLGQSA-N 1 2 223.320 1.703 20 0 BDADLO CC(C)(C(=O)NCCc1ccc[nH]1)c1c[nH]c[nH+]1 ZINC000646948490 385078357 /nfs/dbraw/zinc/07/83/57/385078357.db2.gz AGUBTHDJLAZXTO-UHFFFAOYSA-N 1 2 246.314 1.374 20 0 BDADLO CO[C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000518382725 385024410 /nfs/dbraw/zinc/02/44/10/385024410.db2.gz BBZUHRMCVCXNOQ-MNOVXSKESA-N 1 2 239.319 1.375 20 0 BDADLO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000647243085 385029517 /nfs/dbraw/zinc/02/95/17/385029517.db2.gz CXXXSCVBURGBET-MWLCHTKSSA-N 1 2 211.309 1.296 20 0 BDADLO Cc1ccc(NC(=O)c2ccnn2C)c(C)[nH+]1 ZINC000176185653 385033294 /nfs/dbraw/zinc/03/32/94/385033294.db2.gz XZUKFBWLILQZIE-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176189750 385036819 /nfs/dbraw/zinc/03/68/19/385036819.db2.gz JXCNAFODARZFMA-ZJUUUORDSA-N 1 2 248.282 1.446 20 0 BDADLO CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000129200270 385120557 /nfs/dbraw/zinc/12/05/57/385120557.db2.gz JEDWFQOSZCUJBV-JTQLQIEISA-N 1 2 238.356 1.973 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@](C)(OC)C1CC1)C1CC1 ZINC000310568569 385120847 /nfs/dbraw/zinc/12/08/47/385120847.db2.gz YMOVKBCLHOGDHD-DGCLKSJQSA-N 1 2 241.331 1.343 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000336346260 385138873 /nfs/dbraw/zinc/13/88/73/385138873.db2.gz VCQFITVYJPNBKG-DTWKUNHWSA-N 1 2 240.282 1.110 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000644671858 385085390 /nfs/dbraw/zinc/08/53/90/385085390.db2.gz LCJZROWLVYFYLT-JTQLQIEISA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000644671858 385085397 /nfs/dbraw/zinc/08/53/97/385085397.db2.gz LCJZROWLVYFYLT-JTQLQIEISA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@](C)(O)CSc1nc(N)cc(C)[nH+]1 ZINC000119392715 385090857 /nfs/dbraw/zinc/09/08/57/385090857.db2.gz BXFPKSNGJCFDNV-JTQLQIEISA-N 1 2 227.333 1.620 20 0 BDADLO CO[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000312998293 385095595 /nfs/dbraw/zinc/09/55/95/385095595.db2.gz RFCSLLAUTMVPGC-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000312998293 385095597 /nfs/dbraw/zinc/09/55/97/385095597.db2.gz RFCSLLAUTMVPGC-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1ccn(C)c1C(=O)NCCCn1cc[nH+]c1 ZINC000188886211 385100908 /nfs/dbraw/zinc/10/09/08/385100908.db2.gz CDYBFRLQRLXFMH-UHFFFAOYSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1cncc(C[N@H+](C)CC(=O)NC2CC2)c1 ZINC000189771442 385182670 /nfs/dbraw/zinc/18/26/70/385182670.db2.gz DTTIXUORGOYSHQ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cncc(C[N@@H+](C)CC(=O)NC2CC2)c1 ZINC000189771442 385182674 /nfs/dbraw/zinc/18/26/74/385182674.db2.gz DTTIXUORGOYSHQ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c[nH]nc1C ZINC000189986673 385201804 /nfs/dbraw/zinc/20/18/04/385201804.db2.gz NPWSPENMAPBCIA-GFCCVEGCSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1c[nH]nc1C ZINC000189986673 385201811 /nfs/dbraw/zinc/20/18/11/385201811.db2.gz NPWSPENMAPBCIA-GFCCVEGCSA-N 1 2 237.303 1.246 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ncnn1C ZINC000177149283 385187472 /nfs/dbraw/zinc/18/74/72/385187472.db2.gz BNNGDUHCZPCVGW-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncnn1C ZINC000177149283 385187476 /nfs/dbraw/zinc/18/74/76/385187476.db2.gz BNNGDUHCZPCVGW-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCCCO1 ZINC000109833044 385192675 /nfs/dbraw/zinc/19/26/75/385192675.db2.gz GRTGOQKTTVZQRV-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCCCO1 ZINC000109833044 385192679 /nfs/dbraw/zinc/19/26/79/385192679.db2.gz GRTGOQKTTVZQRV-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO CCOCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000089422596 385195647 /nfs/dbraw/zinc/19/56/47/385195647.db2.gz QUUOWGBUUSEYRR-UHFFFAOYSA-N 1 2 215.293 1.098 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000518755754 385145818 /nfs/dbraw/zinc/14/58/18/385145818.db2.gz QZTTUCHIVJXYSH-SECBINFHSA-N 1 2 227.333 1.257 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2CCC[C@@H]2C1 ZINC000176787491 385149236 /nfs/dbraw/zinc/14/92/36/385149236.db2.gz MXEBACXXCFRBMU-NXEZZACHSA-N 1 2 243.314 1.600 20 0 BDADLO COC(=O)C(C)(C)CNc1cc[nH+]c(C)n1 ZINC000129472317 385150779 /nfs/dbraw/zinc/15/07/79/385150779.db2.gz KMHHMZFYPMJLBY-UHFFFAOYSA-N 1 2 223.276 1.396 20 0 BDADLO CC(C)(C)/C=C/C(=O)NC1=[NH+]CCS1 ZINC000109985350 385200311 /nfs/dbraw/zinc/20/03/11/385200311.db2.gz QHEMDLZYEWYHCY-SNAWJCMRSA-N 1 2 212.318 1.808 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000177003319 385168046 /nfs/dbraw/zinc/16/80/46/385168046.db2.gz ZZZFLEPUZSKWJD-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000177003319 385168055 /nfs/dbraw/zinc/16/80/55/385168055.db2.gz ZZZFLEPUZSKWJD-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@](C)(O)C2)o1 ZINC000178001181 385168928 /nfs/dbraw/zinc/16/89/28/385168928.db2.gz XTZWZRSIILLTLH-NSHDSACASA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@](C)(O)C2)o1 ZINC000178001181 385168929 /nfs/dbraw/zinc/16/89/29/385168929.db2.gz XTZWZRSIILLTLH-NSHDSACASA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2C)C[C@H](C)O1 ZINC000177068142 385175264 /nfs/dbraw/zinc/17/52/64/385175264.db2.gz CFCAVPWEBNNWBD-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2C)C[C@H](C)O1 ZINC000177068142 385175269 /nfs/dbraw/zinc/17/52/69/385175269.db2.gz CFCAVPWEBNNWBD-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CO[C@@H](C)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000190086375 385208789 /nfs/dbraw/zinc/20/87/89/385208789.db2.gz KDHKYOXWOMZKKB-VIFPVBQESA-N 1 2 237.303 1.855 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000449781897 385228146 /nfs/dbraw/zinc/22/81/46/385228146.db2.gz XKTTWWBXWOYEBO-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000449781897 385228147 /nfs/dbraw/zinc/22/81/47/385228147.db2.gz XKTTWWBXWOYEBO-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000190391082 385236051 /nfs/dbraw/zinc/23/60/51/385236051.db2.gz NLLNSSZSFBRGRD-VHSXEESVSA-N 1 2 247.298 1.488 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccnn1C ZINC000130294262 385237557 /nfs/dbraw/zinc/23/75/57/385237557.db2.gz NXHFKSNNLHNRSC-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccnn1C ZINC000130294262 385237562 /nfs/dbraw/zinc/23/75/62/385237562.db2.gz NXHFKSNNLHNRSC-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO CCC(O)(CC)CNc1[nH+]cnc2c1cnn2C ZINC000063992677 385240621 /nfs/dbraw/zinc/24/06/21/385240621.db2.gz FTAPYHRCZJPIDX-UHFFFAOYSA-N 1 2 249.318 1.326 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000360648617 385305389 /nfs/dbraw/zinc/30/53/89/385305389.db2.gz SBNHJXHTJBWWIS-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000360648618 385306120 /nfs/dbraw/zinc/30/61/20/385306120.db2.gz SBNHJXHTJBWWIS-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@]1([NH2+]Cc2ccn[nH]2)CCO[C@H]1C1CC1 ZINC000273191828 385310422 /nfs/dbraw/zinc/31/04/22/385310422.db2.gz ZJYBVSGMAHWWCG-NWDGAFQWSA-N 1 2 221.304 1.457 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NCCF)[nH+]1 ZINC000280512665 385324451 /nfs/dbraw/zinc/32/44/51/385324451.db2.gz DEDFZVYTHCQWDI-UHFFFAOYSA-N 1 2 227.287 1.442 20 0 BDADLO CC(C)c1nc(NCCF)nc(N(C)C)[nH+]1 ZINC000280512665 385324460 /nfs/dbraw/zinc/32/44/60/385324460.db2.gz DEDFZVYTHCQWDI-UHFFFAOYSA-N 1 2 227.287 1.442 20 0 BDADLO CN(C)c1nc(C[N@H+](C)C2CCCC2)ns1 ZINC000178673972 385316016 /nfs/dbraw/zinc/31/60/16/385316016.db2.gz CHIUKMDLBXRNKJ-UHFFFAOYSA-N 1 2 240.376 1.979 20 0 BDADLO CN(C)c1nc(C[N@@H+](C)C2CCCC2)ns1 ZINC000178673972 385316020 /nfs/dbraw/zinc/31/60/20/385316020.db2.gz CHIUKMDLBXRNKJ-UHFFFAOYSA-N 1 2 240.376 1.979 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CC(C)C)C(=O)OC ZINC000308963707 385316114 /nfs/dbraw/zinc/31/61/14/385316114.db2.gz TXHMDOHUJDZUJY-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1ccoc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153640363 385270296 /nfs/dbraw/zinc/27/02/96/385270296.db2.gz LHTVZIKLBKSRKA-JTQLQIEISA-N 1 2 247.298 1.851 20 0 BDADLO Cc1cccc(N2CCN(CC(F)F)CC2)[nH+]1 ZINC000166672456 385271413 /nfs/dbraw/zinc/27/14/13/385271413.db2.gz DHVZSXSQMMHICH-UHFFFAOYSA-N 1 2 241.285 1.777 20 0 BDADLO CC(C)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712273 385274980 /nfs/dbraw/zinc/27/49/80/385274980.db2.gz UPUWXZBFHMZIEB-UHFFFAOYSA-N 1 2 246.314 1.790 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000130689581 385276171 /nfs/dbraw/zinc/27/61/71/385276171.db2.gz BTAYRYSLKUIJQD-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1csc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000130689581 385276177 /nfs/dbraw/zinc/27/61/77/385276177.db2.gz BTAYRYSLKUIJQD-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO COC(=O)[C@H](CC(F)(F)F)[NH2+]CC(C)C ZINC000308906847 385282160 /nfs/dbraw/zinc/28/21/60/385282160.db2.gz CUAFEKJPVJNYNF-ZETCQYMHSA-N 1 2 227.226 1.726 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000648376308 385285495 /nfs/dbraw/zinc/28/54/95/385285495.db2.gz FORBXERBYYBJSP-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CCCN(CC(C)C)C(=O)Cn1cc[nH+]c1 ZINC000558061444 385295382 /nfs/dbraw/zinc/29/53/82/385295382.db2.gz VSSIRWSPBUDRNQ-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO CN(CC1(O)CCOCC1)c1cccc[nH+]1 ZINC000167198083 385301898 /nfs/dbraw/zinc/30/18/98/385301898.db2.gz WISLEYZASYUDLW-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO CCC[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000131412603 385332421 /nfs/dbraw/zinc/33/24/21/385332421.db2.gz RQYAXWNDFUGLJK-LLVKDONJSA-N 1 2 223.320 1.421 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1cocn1 ZINC000191942626 385333681 /nfs/dbraw/zinc/33/36/81/385333681.db2.gz SCEYXXQGBNIKDJ-UHFFFAOYSA-N 1 2 206.249 1.003 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1cocn1 ZINC000191942626 385333683 /nfs/dbraw/zinc/33/36/83/385333683.db2.gz SCEYXXQGBNIKDJ-UHFFFAOYSA-N 1 2 206.249 1.003 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1csc(C)c1 ZINC000648361800 385333854 /nfs/dbraw/zinc/33/38/54/385333854.db2.gz KCINWNVUZHWENG-UHFFFAOYSA-N 1 2 226.345 1.624 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1csc(C)c1 ZINC000648361800 385333858 /nfs/dbraw/zinc/33/38/58/385333858.db2.gz KCINWNVUZHWENG-UHFFFAOYSA-N 1 2 226.345 1.624 20 0 BDADLO C[C@@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000120466240 385335251 /nfs/dbraw/zinc/33/52/51/385335251.db2.gz IFHHBRFRFCHOAZ-SSDOTTSWSA-N 1 2 218.260 1.005 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](OC)C2)o1 ZINC000408057767 385337290 /nfs/dbraw/zinc/33/72/90/385337290.db2.gz ZJZWVVSLNQWDFS-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](OC)C2)o1 ZINC000408057767 385337296 /nfs/dbraw/zinc/33/72/96/385337296.db2.gz ZJZWVVSLNQWDFS-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](OC)C2)o1 ZINC000408057768 385337554 /nfs/dbraw/zinc/33/75/54/385337554.db2.gz ZJZWVVSLNQWDFS-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](OC)C2)o1 ZINC000408057768 385337560 /nfs/dbraw/zinc/33/75/60/385337560.db2.gz ZJZWVVSLNQWDFS-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCN(CC)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154660648 385344705 /nfs/dbraw/zinc/34/47/05/385344705.db2.gz HTGVXRYARCFGFR-UHFFFAOYSA-N 1 2 249.314 1.505 20 0 BDADLO Cc1nc(N2CCOC[C@H]2c2ccco2)cc[nH+]1 ZINC000364332050 385362927 /nfs/dbraw/zinc/36/29/27/385362927.db2.gz XBIBTJVDQJDZFR-NSHDSACASA-N 1 2 245.282 1.956 20 0 BDADLO C[C@@H](Cn1cccn1)[NH2+]C1(C(F)F)CC1 ZINC000309023758 385366858 /nfs/dbraw/zinc/36/68/58/385366858.db2.gz YSQMJOWEVPGNTF-QMMMGPOBSA-N 1 2 215.247 1.659 20 0 BDADLO CS[C@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000155014208 385369422 /nfs/dbraw/zinc/36/94/22/385369422.db2.gz TVIZVLZVRYXHQL-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](C)O)o1 ZINC000192983804 385378408 /nfs/dbraw/zinc/37/84/08/385378408.db2.gz USEIFJSODVPUEG-PWSUYJOCSA-N 1 2 239.315 1.596 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](C)O)o1 ZINC000192983804 385378414 /nfs/dbraw/zinc/37/84/14/385378414.db2.gz USEIFJSODVPUEG-PWSUYJOCSA-N 1 2 239.315 1.596 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000644018572 385379589 /nfs/dbraw/zinc/37/95/89/385379589.db2.gz DBBGNPNXVOZMAO-SNVBAGLBSA-N 1 2 239.344 1.401 20 0 BDADLO COC(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000110113529 385381005 /nfs/dbraw/zinc/38/10/05/385381005.db2.gz XSFZHJJEYVNZCX-UHFFFAOYSA-N 1 2 221.260 1.329 20 0 BDADLO C[C@H]([NH3+])CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000193188370 385387039 /nfs/dbraw/zinc/38/70/39/385387039.db2.gz VPKURIPWSJCVAW-ZETCQYMHSA-N 1 2 233.275 1.024 20 0 BDADLO CCC[C@@]1(C)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193396350 385393898 /nfs/dbraw/zinc/39/38/98/385393898.db2.gz REZMSJKAJKKESP-LBPRGKRZSA-N 1 2 237.351 1.612 20 0 BDADLO CCC[C@@]1(C)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193396350 385393902 /nfs/dbraw/zinc/39/39/02/385393902.db2.gz REZMSJKAJKKESP-LBPRGKRZSA-N 1 2 237.351 1.612 20 0 BDADLO CCC1(CC)CC[NH+](Cc2nnn(C)n2)CC1 ZINC000193487356 385398519 /nfs/dbraw/zinc/39/85/19/385398519.db2.gz NMMQXCAWODDBAZ-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO CC(C)(O)[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862909 385452620 /nfs/dbraw/zinc/45/26/20/385452620.db2.gz LNEGRNYYJFNPDI-QRGHLMKCSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492867593 385455231 /nfs/dbraw/zinc/45/52/31/385455231.db2.gz RTTDPRDNSGDTEQ-ZJRFNNFUSA-N 1 2 233.315 1.975 20 0 BDADLO COCc1noc(C[NH+]2CCC(C)CC2)n1 ZINC000181991422 385427566 /nfs/dbraw/zinc/42/75/66/385427566.db2.gz FYUUARXFZYHQPJ-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000336085108 385436931 /nfs/dbraw/zinc/43/69/31/385436931.db2.gz UQUCHWYLJNUKLK-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000336085108 385436933 /nfs/dbraw/zinc/43/69/33/385436933.db2.gz UQUCHWYLJNUKLK-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171065944 385466173 /nfs/dbraw/zinc/46/61/73/385466173.db2.gz ZOZDYUPJXPQOEL-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccnn1C ZINC000179567904 385474821 /nfs/dbraw/zinc/47/48/21/385474821.db2.gz XOAQBSUWLRYZIZ-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccnn1C ZINC000179567904 385474823 /nfs/dbraw/zinc/47/48/23/385474823.db2.gz XOAQBSUWLRYZIZ-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@](C)(O)C(C)C ZINC000336340150 385482410 /nfs/dbraw/zinc/48/24/10/385482410.db2.gz WAIGVDJUZOLISR-GFCCVEGCSA-N 1 2 222.288 1.157 20 0 BDADLO CC(C)n1cc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000179714362 385486163 /nfs/dbraw/zinc/48/61/63/385486163.db2.gz WZJXFTDKOFMOAM-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000179714362 385486166 /nfs/dbraw/zinc/48/61/66/385486166.db2.gz WZJXFTDKOFMOAM-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)o1 ZINC000051187683 385459758 /nfs/dbraw/zinc/45/97/58/385459758.db2.gz HGFXSWPGHGNYSL-CYBMUJFWSA-N 1 2 244.294 1.904 20 0 BDADLO Cc1cc(C)c(NC(=O)c2cncn2C)c(C)[nH+]1 ZINC000336419059 385491220 /nfs/dbraw/zinc/49/12/20/385491220.db2.gz IOZRSYFCVUSQEH-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CCONC(=O)NCCCNc1cccc[nH+]1 ZINC000171581010 385498312 /nfs/dbraw/zinc/49/83/12/385498312.db2.gz RTANUWPVJXLRCI-UHFFFAOYSA-N 1 2 238.291 1.134 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2CNC(=O)C2)c1Cl ZINC000309246856 385498880 /nfs/dbraw/zinc/49/88/80/385498880.db2.gz ZJHKZPRLURVFIN-ZETCQYMHSA-N 1 2 225.679 1.344 20 0 BDADLO CCCCN(CCCC)Cc1noc(C[NH3+])n1 ZINC000302352328 385517698 /nfs/dbraw/zinc/51/76/98/385517698.db2.gz LIEROSCXARCQMQ-UHFFFAOYSA-N 1 2 240.351 1.931 20 0 BDADLO Cc1nc(N2CCC(C(F)F)CC2)nc(N)[nH+]1 ZINC000307866052 385505941 /nfs/dbraw/zinc/50/59/41/385505941.db2.gz AKICENIGCBUQIL-UHFFFAOYSA-N 1 2 243.261 1.244 20 0 BDADLO Cc1nc(N)nc(N2CCC(C(F)F)CC2)[nH+]1 ZINC000307866052 385505945 /nfs/dbraw/zinc/50/59/45/385505945.db2.gz AKICENIGCBUQIL-UHFFFAOYSA-N 1 2 243.261 1.244 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccccc1F ZINC000171688671 385507134 /nfs/dbraw/zinc/50/71/34/385507134.db2.gz RRYMCPHONZFUPK-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccccc1F ZINC000171688671 385507136 /nfs/dbraw/zinc/50/71/36/385507136.db2.gz RRYMCPHONZFUPK-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000157198642 385490115 /nfs/dbraw/zinc/49/01/15/385490115.db2.gz WPIHXFBWCPHDGA-DGCLKSJQSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccccn1 ZINC000157198642 385490121 /nfs/dbraw/zinc/49/01/21/385490121.db2.gz WPIHXFBWCPHDGA-DGCLKSJQSA-N 1 2 236.315 1.053 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2nccs2)n1 ZINC000157969282 385541353 /nfs/dbraw/zinc/54/13/53/385541353.db2.gz KABHXEDAISTZSU-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2nccs2)n1 ZINC000157969282 385541358 /nfs/dbraw/zinc/54/13/58/385541358.db2.gz KABHXEDAISTZSU-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2COCCOC2)[nH+]1 ZINC000644137595 385518734 /nfs/dbraw/zinc/51/87/34/385518734.db2.gz WWSYMWWBWPKZRC-UHFFFAOYSA-N 1 2 248.286 1.094 20 0 BDADLO CO[C@@H](C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000171822236 385520799 /nfs/dbraw/zinc/52/07/99/385520799.db2.gz IOZOSYQEAPXUEK-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCC[C@H]2C(N)=O)s1 ZINC000180424617 385523748 /nfs/dbraw/zinc/52/37/48/385523748.db2.gz RCDOBABSTGPYTG-VIFPVBQESA-N 1 2 239.344 1.291 20 0 BDADLO Cc1cnc(C[N@H+]2CCCC[C@H]2C(N)=O)s1 ZINC000180424617 385523753 /nfs/dbraw/zinc/52/37/53/385523753.db2.gz RCDOBABSTGPYTG-VIFPVBQESA-N 1 2 239.344 1.291 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccc(=O)n(C)c1 ZINC000107293915 385561667 /nfs/dbraw/zinc/56/16/67/385561667.db2.gz UAXWLMCBLKLPDU-UHFFFAOYSA-N 1 2 243.266 1.341 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnccn1 ZINC000107285554 385562908 /nfs/dbraw/zinc/56/29/08/385562908.db2.gz DKNLRJHNNIYEOR-UHFFFAOYSA-N 1 2 214.228 1.432 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493399704 385571314 /nfs/dbraw/zinc/57/13/14/385571314.db2.gz ZFIBYPCNFXBDJD-OKWQPMOJSA-N 1 2 235.287 1.059 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000280752711 385602110 /nfs/dbraw/zinc/60/21/10/385602110.db2.gz DVSSGAXVCUHXKI-UWVGGRQHSA-N 1 2 213.277 1.172 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000280752711 385602114 /nfs/dbraw/zinc/60/21/14/385602114.db2.gz DVSSGAXVCUHXKI-UWVGGRQHSA-N 1 2 213.277 1.172 20 0 BDADLO FC(F)O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000337312727 385604727 /nfs/dbraw/zinc/60/47/27/385604727.db2.gz VUHVPSUJRBNNFZ-DTWKUNHWSA-N 1 2 231.246 1.660 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493493149 385581038 /nfs/dbraw/zinc/58/10/38/385581038.db2.gz LJYBLTZQTWQIFX-YZKQYGISSA-N 1 2 233.315 1.974 20 0 BDADLO CO[C@@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493751312 385614051 /nfs/dbraw/zinc/61/40/51/385614051.db2.gz HBHVQJRTBSJNKN-SZZPACECSA-N 1 2 249.314 1.354 20 0 BDADLO Cc1scc(C[N@@H+]2CCNC(=O)[C@H]2C)c1C ZINC000637989791 385619132 /nfs/dbraw/zinc/61/91/32/385619132.db2.gz QTODFHOPALAGJL-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1scc(C[N@H+]2CCNC(=O)[C@H]2C)c1C ZINC000637989791 385619140 /nfs/dbraw/zinc/61/91/40/385619140.db2.gz QTODFHOPALAGJL-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO CC[C@H]([NH2+]CCc1cc(C)no1)C(=O)OC ZINC000309492002 385622223 /nfs/dbraw/zinc/62/22/23/385622223.db2.gz XKMMPTOFIXOYEK-JTQLQIEISA-N 1 2 226.276 1.067 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337377654 385629891 /nfs/dbraw/zinc/62/98/91/385629891.db2.gz BTCXQQZHDGDAMI-YUMQZZPRSA-N 1 2 237.246 1.299 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366562869 385631386 /nfs/dbraw/zinc/63/13/86/385631386.db2.gz AIXGFEJNPOELGL-IWSPIJDZSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366562869 385631397 /nfs/dbraw/zinc/63/13/97/385631397.db2.gz AIXGFEJNPOELGL-IWSPIJDZSA-N 1 2 219.288 1.039 20 0 BDADLO CC[C@H](F)Cn1ncc2c1nc[nH+]c2NC ZINC000336680571 385631703 /nfs/dbraw/zinc/63/17/03/385631703.db2.gz CUAOAHVOXNAVDD-ZETCQYMHSA-N 1 2 223.255 1.616 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC1(C)C ZINC000269762279 385633672 /nfs/dbraw/zinc/63/36/72/385633672.db2.gz YLZQRRKCBJAXGC-MRVPVSSYSA-N 1 2 207.277 1.082 20 0 BDADLO CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)C(=O)OC ZINC000336681694 385635333 /nfs/dbraw/zinc/63/53/33/385635333.db2.gz CZKRONPMAMGLRQ-ZETCQYMHSA-N 1 2 239.237 1.870 20 0 BDADLO Cn1ccnc1C[NH2+][C@H](CO)c1ccsc1 ZINC000309486306 385613349 /nfs/dbraw/zinc/61/33/49/385613349.db2.gz GPJYOUWPRUKDRG-SNVBAGLBSA-N 1 2 237.328 1.305 20 0 BDADLO CCCc1occc1C(=O)NCc1[nH+]ccn1C ZINC000281208746 385645160 /nfs/dbraw/zinc/64/51/60/385645160.db2.gz JNDQUTLVFXZXLK-UHFFFAOYSA-N 1 2 247.298 1.896 20 0 BDADLO Cc1c[nH+]ccc1CCNc1nccn(C)c1=O ZINC000269919709 385647358 /nfs/dbraw/zinc/64/73/58/385647358.db2.gz ANHXWOXUJFHFKE-UHFFFAOYSA-N 1 2 244.298 1.138 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccnc1 ZINC000281253016 385650331 /nfs/dbraw/zinc/65/03/31/385650331.db2.gz MQXDGIHTIZTPNC-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccnc1 ZINC000281253016 385650341 /nfs/dbraw/zinc/65/03/41/385650341.db2.gz MQXDGIHTIZTPNC-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOCC(C)C ZINC000337451565 385665681 /nfs/dbraw/zinc/66/56/81/385665681.db2.gz FSQOOJGBIYSUOB-SNVBAGLBSA-N 1 2 217.309 1.152 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCC(C)C ZINC000337451565 385665687 /nfs/dbraw/zinc/66/56/87/385665687.db2.gz FSQOOJGBIYSUOB-SNVBAGLBSA-N 1 2 217.309 1.152 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H](O)C(C)C ZINC000414524551 385662507 /nfs/dbraw/zinc/66/25/07/385662507.db2.gz IEHHVEIUNCEULU-GHMZBOCLSA-N 1 2 211.309 1.295 20 0 BDADLO CCN(CC(F)F)C(=O)CCc1c[nH+]cn1C ZINC000281490264 385673808 /nfs/dbraw/zinc/67/38/08/385673808.db2.gz GOWAHEFTBTXIPE-UHFFFAOYSA-N 1 2 245.273 1.466 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CSC[C@@H]2C)no1 ZINC000307352751 385681119 /nfs/dbraw/zinc/68/11/19/385681119.db2.gz REDJITKTRFXZPI-XPUUQOCRSA-N 1 2 213.306 1.219 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1cn[nH]c1 ZINC000229871773 385683880 /nfs/dbraw/zinc/68/38/80/385683880.db2.gz DBSYVYVQWZRKTG-ZETCQYMHSA-N 1 2 243.274 1.260 20 0 BDADLO CN(Cc1cnc(N)s1)Cc1[nH+]ccn1C ZINC000086766205 385684060 /nfs/dbraw/zinc/68/40/60/385684060.db2.gz CPLLVYVMWTYBCX-UHFFFAOYSA-N 1 2 237.332 1.091 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270202872 385685288 /nfs/dbraw/zinc/68/52/88/385685288.db2.gz PLCVNMQFMITCIF-QMMMGPOBSA-N 1 2 234.221 1.069 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270202872 385685291 /nfs/dbraw/zinc/68/52/91/385685291.db2.gz PLCVNMQFMITCIF-QMMMGPOBSA-N 1 2 234.221 1.069 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000645219631 385686915 /nfs/dbraw/zinc/68/69/15/385686915.db2.gz YGHAOQNOJGDGDS-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000645219631 385686918 /nfs/dbraw/zinc/68/69/18/385686918.db2.gz YGHAOQNOJGDGDS-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO CC(C)[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000182620390 385688935 /nfs/dbraw/zinc/68/89/35/385688935.db2.gz SVHGZXHZQIOGQC-LLVKDONJSA-N 1 2 247.298 1.081 20 0 BDADLO CC[C@@H](NCC(F)(F)CO)c1[nH+]ccn1C ZINC000184686272 385693653 /nfs/dbraw/zinc/69/36/53/385693653.db2.gz AYPKHZUZAVHCAB-MRVPVSSYSA-N 1 2 233.262 1.088 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@@H](C)CO)s1 ZINC000645231747 385693785 /nfs/dbraw/zinc/69/37/85/385693785.db2.gz FIZOVLMSKGVDIM-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@@H](C)CO)s1 ZINC000645231747 385693788 /nfs/dbraw/zinc/69/37/88/385693788.db2.gz FIZOVLMSKGVDIM-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO C[N@H+](CCOCCO)Cc1ccsc1Cl ZINC000337536152 385700493 /nfs/dbraw/zinc/70/04/93/385700493.db2.gz HQHTXMJAAGNHBF-UHFFFAOYSA-N 1 2 249.763 1.842 20 0 BDADLO C[N@@H+](CCOCCO)Cc1ccsc1Cl ZINC000337536152 385700495 /nfs/dbraw/zinc/70/04/95/385700495.db2.gz HQHTXMJAAGNHBF-UHFFFAOYSA-N 1 2 249.763 1.842 20 0 BDADLO C[C@@H](CO)CCCNc1[nH+]cnc2c1cnn2C ZINC000230147630 385712361 /nfs/dbraw/zinc/71/23/61/385712361.db2.gz WQZUEQJFMNQWKU-SECBINFHSA-N 1 2 249.318 1.184 20 0 BDADLO CS[C@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000270486746 385713302 /nfs/dbraw/zinc/71/33/02/385713302.db2.gz XCWUZULBLAOEQH-SSDOTTSWSA-N 1 2 227.333 1.476 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000270508162 385715429 /nfs/dbraw/zinc/71/54/29/385715429.db2.gz WCTKHHXGBUSALE-JQWIXIFHSA-N 1 2 247.342 1.870 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ncn(C)n1 ZINC000309533119 385668639 /nfs/dbraw/zinc/66/86/39/385668639.db2.gz DPSIGNFRWXRMCF-UTLUCORTSA-N 1 2 224.308 1.033 20 0 BDADLO COC(=O)CCC[N@H+](CC(F)F)C1CC1 ZINC000116399683 385734620 /nfs/dbraw/zinc/73/46/20/385734620.db2.gz BLUQTOHEIPYJDM-UHFFFAOYSA-N 1 2 221.247 1.669 20 0 BDADLO COC(=O)CCC[N@@H+](CC(F)F)C1CC1 ZINC000116399683 385734624 /nfs/dbraw/zinc/73/46/24/385734624.db2.gz BLUQTOHEIPYJDM-UHFFFAOYSA-N 1 2 221.247 1.669 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282762772 385785935 /nfs/dbraw/zinc/78/59/35/385785935.db2.gz OZRTYJPWONOBLB-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282762772 385785940 /nfs/dbraw/zinc/78/59/40/385785940.db2.gz OZRTYJPWONOBLB-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@@H](O)C(F)(F)F ZINC000270777685 385741770 /nfs/dbraw/zinc/74/17/70/385741770.db2.gz INKWDQXHBZCFAS-IONNQARKSA-N 1 2 249.236 1.899 20 0 BDADLO Cc1nsc(N(C)Cc2[nH+]ccn2C)n1 ZINC000270986824 385766229 /nfs/dbraw/zinc/76/62/29/385766229.db2.gz WKXWWIXWWDUWCX-UHFFFAOYSA-N 1 2 223.305 1.216 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCCC(C)C)CCOC1 ZINC000309645024 385768229 /nfs/dbraw/zinc/76/82/29/385768229.db2.gz LXIHOMVGJCNDRY-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO COC(=O)[C@]1([NH2+]CCCC(C)C)CCOC1 ZINC000309645025 385768473 /nfs/dbraw/zinc/76/84/73/385768473.db2.gz LXIHOMVGJCNDRY-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)CC(N)=O)c1 ZINC000271039697 385775729 /nfs/dbraw/zinc/77/57/29/385775729.db2.gz HWTYTNOKXSHHSJ-UHFFFAOYSA-N 1 2 210.252 1.051 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)CC(N)=O)c1 ZINC000271039697 385775734 /nfs/dbraw/zinc/77/57/34/385775734.db2.gz HWTYTNOKXSHHSJ-UHFFFAOYSA-N 1 2 210.252 1.051 20 0 BDADLO CCC[C@H](O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000271113489 385788110 /nfs/dbraw/zinc/78/81/10/385788110.db2.gz GYEYWFTVATYDPZ-NSHDSACASA-N 1 2 237.303 1.673 20 0 BDADLO Cn1nncc1C[NH2+]Cc1ccc(Cl)o1 ZINC000336735878 385720549 /nfs/dbraw/zinc/72/05/49/385720549.db2.gz OUWMUIOVHVUEPW-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO C[C@H]([NH2+]CCO)c1nc(C(C)(C)C)no1 ZINC000185210991 385724264 /nfs/dbraw/zinc/72/42/64/385724264.db2.gz IOMSHAKCNWIZDN-ZETCQYMHSA-N 1 2 213.281 1.010 20 0 BDADLO C[N@H+](Cc1ncnn1-c1ccccc1)C1CC1 ZINC000282029557 385726310 /nfs/dbraw/zinc/72/63/10/385726310.db2.gz PXBLGFIYQHPASF-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO C[N@@H+](Cc1ncnn1-c1ccccc1)C1CC1 ZINC000282029557 385726316 /nfs/dbraw/zinc/72/63/16/385726316.db2.gz PXBLGFIYQHPASF-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@](C)(O)C(F)(F)F ZINC000282052647 385726820 /nfs/dbraw/zinc/72/68/20/385726820.db2.gz RRBROUFOTHIMHM-MRVPVSSYSA-N 1 2 238.209 1.420 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@](C)(O)C(F)(F)F ZINC000282052647 385726825 /nfs/dbraw/zinc/72/68/25/385726825.db2.gz RRBROUFOTHIMHM-MRVPVSSYSA-N 1 2 238.209 1.420 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000271187936 385800082 /nfs/dbraw/zinc/80/00/82/385800082.db2.gz KNZXQOPWKWLSCM-OHUAYANFSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000271187936 385800085 /nfs/dbraw/zinc/80/00/85/385800085.db2.gz KNZXQOPWKWLSCM-OHUAYANFSA-N 1 2 240.372 1.366 20 0 BDADLO COc1cccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000186947413 385816634 /nfs/dbraw/zinc/81/66/34/385816634.db2.gz IVNOKSSDYVMHIW-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000186947413 385816640 /nfs/dbraw/zinc/81/66/40/385816640.db2.gz IVNOKSSDYVMHIW-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO CC[C@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000294189017 385820198 /nfs/dbraw/zinc/82/01/98/385820198.db2.gz XGCQQLBIJZGQGH-JTQLQIEISA-N 1 2 221.304 1.364 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CC12CC2 ZINC000643369216 385822902 /nfs/dbraw/zinc/82/29/02/385822902.db2.gz CYSNCPXRBBCDKH-SNVBAGLBSA-N 1 2 231.299 1.410 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCC3(F)F)C2)n(C)n1 ZINC000335594918 385826826 /nfs/dbraw/zinc/82/68/26/385826826.db2.gz IINVDYZMRPDBRI-UHFFFAOYSA-N 1 2 241.285 1.960 20 0 BDADLO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458464 385833314 /nfs/dbraw/zinc/83/33/14/385833314.db2.gz OLZXFFACEUDMHH-WCBMZHEXSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@H]1[C@H](O)CCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458464 385833316 /nfs/dbraw/zinc/83/33/16/385833316.db2.gz OLZXFFACEUDMHH-WCBMZHEXSA-N 1 2 236.319 1.027 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000283981597 385845475 /nfs/dbraw/zinc/84/54/75/385845475.db2.gz IXEFFEDDTTZCIN-LBPRGKRZSA-N 1 2 228.299 1.794 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000283981597 385845479 /nfs/dbraw/zinc/84/54/79/385845479.db2.gz IXEFFEDDTTZCIN-LBPRGKRZSA-N 1 2 228.299 1.794 20 0 BDADLO CCOC(=O)c1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000603231564 385845925 /nfs/dbraw/zinc/84/59/25/385845925.db2.gz CIKRCQACGJEESB-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1(C)CCC1)C2 ZINC000365904365 385852326 /nfs/dbraw/zinc/85/23/26/385852326.db2.gz XEWWMCUFVRDHGI-NSHDSACASA-N 1 2 247.342 1.813 20 0 BDADLO C[C@H]([NH2+]CCF)c1ncc(Br)cn1 ZINC000308292576 385789659 /nfs/dbraw/zinc/78/96/59/385789659.db2.gz MFGKBLBIKKPGQA-LURJTMIESA-N 1 2 248.099 1.859 20 0 BDADLO CC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000337806779 385793746 /nfs/dbraw/zinc/79/37/46/385793746.db2.gz LDYQDDCKCKNCHW-UHFFFAOYSA-N 1 2 243.310 1.910 20 0 BDADLO CCc1nsc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000647842978 385891660 /nfs/dbraw/zinc/89/16/60/385891660.db2.gz WFPPFEYBTNVUJH-UHFFFAOYSA-N 1 2 235.316 1.386 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CCOC[C@@H]1C ZINC000272324625 385893747 /nfs/dbraw/zinc/89/37/47/385893747.db2.gz VCQFYNMVASSLPJ-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CCOC[C@@H]1C ZINC000272324625 385893752 /nfs/dbraw/zinc/89/37/52/385893752.db2.gz VCQFYNMVASSLPJ-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO CC(C)[C@@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000285049983 385895516 /nfs/dbraw/zinc/89/55/16/385895516.db2.gz HMSRNFIQIJGYPF-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccncc1 ZINC000272359574 385897985 /nfs/dbraw/zinc/89/79/85/385897985.db2.gz MUYOEIYNSVVUBW-NSHDSACASA-N 1 2 244.298 1.026 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000294812589 385899934 /nfs/dbraw/zinc/89/99/34/385899934.db2.gz WVCBTPLDFIPFAE-SKDRFNHKSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000294812589 385899937 /nfs/dbraw/zinc/89/99/37/385899937.db2.gz WVCBTPLDFIPFAE-SKDRFNHKSA-N 1 2 240.303 1.219 20 0 BDADLO Cn1cc[nH+]c1CS[C@@H]1CCCOC1 ZINC000272431345 385900901 /nfs/dbraw/zinc/90/09/01/385900901.db2.gz JPMVSUWAIMULNQ-SECBINFHSA-N 1 2 212.318 1.832 20 0 BDADLO Cn1cc[nH+]c1CS[C@H]1CCCOC1 ZINC000272431347 385902006 /nfs/dbraw/zinc/90/20/06/385902006.db2.gz JPMVSUWAIMULNQ-VIFPVBQESA-N 1 2 212.318 1.832 20 0 BDADLO COC(=O)[C@H](C)NCc1c[nH+]c2ccc(C)cn12 ZINC000272446107 385903309 /nfs/dbraw/zinc/90/33/09/385903309.db2.gz UYQXXKZAFVCMNZ-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1C(F)F ZINC000338161875 385904589 /nfs/dbraw/zinc/90/45/89/385904589.db2.gz LXEFOZLRXCLIDN-HLTSFMKQSA-N 1 2 243.257 1.289 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC=C(F)C1 ZINC000272555053 385912385 /nfs/dbraw/zinc/91/23/85/385912385.db2.gz TWHGXXLOGKVJOP-JTQLQIEISA-N 1 2 228.311 1.802 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC=C(F)C1 ZINC000272555053 385912388 /nfs/dbraw/zinc/91/23/88/385912388.db2.gz TWHGXXLOGKVJOP-JTQLQIEISA-N 1 2 228.311 1.802 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC=C(F)C1 ZINC000272555054 385913062 /nfs/dbraw/zinc/91/30/62/385913062.db2.gz TWHGXXLOGKVJOP-SNVBAGLBSA-N 1 2 228.311 1.802 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC=C(F)C1 ZINC000272555054 385913066 /nfs/dbraw/zinc/91/30/66/385913066.db2.gz TWHGXXLOGKVJOP-SNVBAGLBSA-N 1 2 228.311 1.802 20 0 BDADLO CC[C@@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413969671 385918969 /nfs/dbraw/zinc/91/89/69/385918969.db2.gz VOKYMAWDHXQIAZ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000285417567 385923135 /nfs/dbraw/zinc/92/31/35/385923135.db2.gz BSQPNEZRGPGHFO-GHMZBOCLSA-N 1 2 248.282 1.528 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CCCOC1 ZINC000272694879 385924014 /nfs/dbraw/zinc/92/40/14/385924014.db2.gz HEWYNDZNRGUSRU-GFCCVEGCSA-N 1 2 237.303 1.151 20 0 BDADLO COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000285417575 385924674 /nfs/dbraw/zinc/92/46/74/385924674.db2.gz BSQPNEZRGPGHFO-QWRGUYRKSA-N 1 2 248.282 1.528 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H](O)C(C)C ZINC000285443143 385927616 /nfs/dbraw/zinc/92/76/16/385927616.db2.gz LNTAGMBSWSHEGV-SNVBAGLBSA-N 1 2 208.261 1.345 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)[nH]c(=O)c1 ZINC000271938132 385861212 /nfs/dbraw/zinc/86/12/12/385861212.db2.gz DRFLPIDUDGYMSA-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000647808752 385866825 /nfs/dbraw/zinc/86/68/25/385866825.db2.gz GFDJQQCMFMAYQP-MRVPVSSYSA-N 1 2 218.260 1.537 20 0 BDADLO CCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000284418916 385869782 /nfs/dbraw/zinc/86/97/82/385869782.db2.gz OLHWTVAAPRRSEM-ONEGZZNKSA-N 1 2 219.288 1.729 20 0 BDADLO Cn1nccc1CC[N@@H+]1CCC=C(F)C1 ZINC000284456988 385871288 /nfs/dbraw/zinc/87/12/88/385871288.db2.gz ROQODUWVIDDAOJ-UHFFFAOYSA-N 1 2 209.268 1.522 20 0 BDADLO Cn1nccc1CC[N@H+]1CCC=C(F)C1 ZINC000284456988 385871290 /nfs/dbraw/zinc/87/12/90/385871290.db2.gz ROQODUWVIDDAOJ-UHFFFAOYSA-N 1 2 209.268 1.522 20 0 BDADLO CC[N@H+](CCC(=O)c1ccccc1)CC(=O)OC ZINC000272092632 385875853 /nfs/dbraw/zinc/87/58/53/385875853.db2.gz MEHPWERLOBRTSW-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO CC[N@@H+](CCC(=O)c1ccccc1)CC(=O)OC ZINC000272092632 385875857 /nfs/dbraw/zinc/87/58/57/385875857.db2.gz MEHPWERLOBRTSW-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000338345576 385975354 /nfs/dbraw/zinc/97/53/54/385975354.db2.gz AOPBMEBAJDYJBT-CBAPKCEASA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000338345576 385975361 /nfs/dbraw/zinc/97/53/61/385975361.db2.gz AOPBMEBAJDYJBT-CBAPKCEASA-N 1 2 241.360 1.610 20 0 BDADLO CC1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000334231995 385976052 /nfs/dbraw/zinc/97/60/52/385976052.db2.gz MGNHXLKITGNAFN-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)no1 ZINC000189260761 385978116 /nfs/dbraw/zinc/97/81/16/385978116.db2.gz ALIWKYMXAOXHMY-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)no1 ZINC000189260761 385978125 /nfs/dbraw/zinc/97/81/25/385978125.db2.gz ALIWKYMXAOXHMY-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO Cc1c[nH+]c(CNCC(F)(F)C(F)F)n1C ZINC000336749323 385995097 /nfs/dbraw/zinc/99/50/97/385995097.db2.gz YSZYLNZXNWZYFG-UHFFFAOYSA-N 1 2 239.216 1.719 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336769696 385991144 /nfs/dbraw/zinc/99/11/44/385991144.db2.gz SGULCRCCFIIGSD-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000414145237 385992702 /nfs/dbraw/zinc/99/27/02/385992702.db2.gz PGETTYBAFCCMTO-JTQLQIEISA-N 1 2 218.256 1.632 20 0 BDADLO CC[N@H+](CCOC)Cc1ncnn1C(C)(C)C ZINC000338235824 385932901 /nfs/dbraw/zinc/93/29/01/385932901.db2.gz VHISIPSTWFNZJK-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncnn1C(C)(C)C ZINC000338235824 385932908 /nfs/dbraw/zinc/93/29/08/385932908.db2.gz VHISIPSTWFNZJK-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](CCO)C(C)(C)C)c[nH+]1 ZINC000294985960 385934547 /nfs/dbraw/zinc/93/45/47/385934547.db2.gz PUGOYRUWZVDKNS-JTQLQIEISA-N 1 2 239.319 1.245 20 0 BDADLO Cn1nccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285525124 385936320 /nfs/dbraw/zinc/93/63/20/385936320.db2.gz ZMUMVWSKTDSWQW-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1nccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285525124 385936328 /nfs/dbraw/zinc/93/63/28/385936328.db2.gz ZMUMVWSKTDSWQW-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO CSCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338272186 385936474 /nfs/dbraw/zinc/93/64/74/385936474.db2.gz RMVZHVVFHLLKHY-UHFFFAOYSA-N 1 2 242.392 1.828 20 0 BDADLO CSCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338272186 385936481 /nfs/dbraw/zinc/93/64/81/385936481.db2.gz RMVZHVVFHLLKHY-UHFFFAOYSA-N 1 2 242.392 1.828 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000636993347 385940966 /nfs/dbraw/zinc/94/09/66/385940966.db2.gz QNCKTJDPODDRFJ-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000636993347 385940973 /nfs/dbraw/zinc/94/09/73/385940973.db2.gz QNCKTJDPODDRFJ-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO COc1nccc(C[N@@H+]2CCOCC2(C)C)n1 ZINC000295007426 385940891 /nfs/dbraw/zinc/94/08/91/385940891.db2.gz ZCFYYEFFABNFIA-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccc(C[N@H+]2CCOCC2(C)C)n1 ZINC000295007426 385940895 /nfs/dbraw/zinc/94/08/95/385940895.db2.gz ZCFYYEFFABNFIA-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO CO[C@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000336768283 385942770 /nfs/dbraw/zinc/94/27/70/385942770.db2.gz QSIRJUPRUVRAGU-SSDOTTSWSA-N 1 2 220.276 1.135 20 0 BDADLO Cc1nc(C[N@@H+](C)C2(CO)CC2)cs1 ZINC000285577594 385944807 /nfs/dbraw/zinc/94/48/07/385944807.db2.gz SYOKVTIMEBYSTM-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1nc(C[N@H+](C)C2(CO)CC2)cs1 ZINC000285577594 385944813 /nfs/dbraw/zinc/94/48/13/385944813.db2.gz SYOKVTIMEBYSTM-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO C[N@H+](Cc1ncc(C2CC2)o1)C1(CO)CC1 ZINC000285597187 385945587 /nfs/dbraw/zinc/94/55/87/385945587.db2.gz UYRQGRFCDSVHFI-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO C[N@@H+](Cc1ncc(C2CC2)o1)C1(CO)CC1 ZINC000285597187 385945594 /nfs/dbraw/zinc/94/55/94/385945594.db2.gz UYRQGRFCDSVHFI-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO Cc1cc[nH+]c(N[C@@H](C)CC(N)=O)c1Cl ZINC000336768582 385949434 /nfs/dbraw/zinc/94/94/34/385949434.db2.gz URBIZZYRLLIZOE-ZETCQYMHSA-N 1 2 227.695 1.719 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000338307433 385953676 /nfs/dbraw/zinc/95/36/76/385953676.db2.gz ORHDKAUZQIBJHB-JTQLQIEISA-N 1 2 238.335 1.254 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000338307433 385953678 /nfs/dbraw/zinc/95/36/78/385953678.db2.gz ORHDKAUZQIBJHB-JTQLQIEISA-N 1 2 238.335 1.254 20 0 BDADLO COc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)ccc1C ZINC000295080189 385960475 /nfs/dbraw/zinc/96/04/75/385960475.db2.gz RWHBHYJOLBQJOG-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)ccc1C ZINC000295080189 385960481 /nfs/dbraw/zinc/96/04/81/385960481.db2.gz RWHBHYJOLBQJOG-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccnn2C)nc1 ZINC000338361395 385969395 /nfs/dbraw/zinc/96/93/95/385969395.db2.gz SABITJZTGJBPPC-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccnn2C)nc1 ZINC000338361395 385969402 /nfs/dbraw/zinc/96/94/02/385969402.db2.gz SABITJZTGJBPPC-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO C[N@H+](CCCCO)Cc1ncnn1C(C)(C)C ZINC000338337818 385971357 /nfs/dbraw/zinc/97/13/57/385971357.db2.gz DAXKHYUKKQESPY-UHFFFAOYSA-N 1 2 240.351 1.237 20 0 BDADLO C[N@@H+](CCCCO)Cc1ncnn1C(C)(C)C ZINC000338337818 385971362 /nfs/dbraw/zinc/97/13/62/385971362.db2.gz DAXKHYUKKQESPY-UHFFFAOYSA-N 1 2 240.351 1.237 20 0 BDADLO O[C@@H]1CC[N@H+](CC(F)F)C2(CCC2)C1 ZINC000643255935 386000429 /nfs/dbraw/zinc/00/04/29/386000429.db2.gz ZQPSCEYNBXZCQM-MRVPVSSYSA-N 1 2 205.248 1.631 20 0 BDADLO O[C@@H]1CC[N@@H+](CC(F)F)C2(CCC2)C1 ZINC000643255935 386000434 /nfs/dbraw/zinc/00/04/34/386000434.db2.gz ZQPSCEYNBXZCQM-MRVPVSSYSA-N 1 2 205.248 1.631 20 0 BDADLO Cc1sccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000295246666 386000489 /nfs/dbraw/zinc/00/04/89/386000489.db2.gz FOQPYANVUDDUPY-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO Cc1sccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000295246666 386000494 /nfs/dbraw/zinc/00/04/94/386000494.db2.gz FOQPYANVUDDUPY-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000286149399 386001183 /nfs/dbraw/zinc/00/11/83/386001183.db2.gz IPOXOJXPTFGZOW-UHFFFAOYSA-N 1 2 234.278 1.944 20 0 BDADLO CC[C@@H](C)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000286164778 386003999 /nfs/dbraw/zinc/00/39/99/386003999.db2.gz WNQYVPGYMYBPFB-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccccn2)C[C@@H](C)O1 ZINC000189403923 386004347 /nfs/dbraw/zinc/00/43/47/386004347.db2.gz VSMCSDHQPKEWCO-DGCLKSJQSA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H](C)O1 ZINC000189403923 386004355 /nfs/dbraw/zinc/00/43/55/386004355.db2.gz VSMCSDHQPKEWCO-DGCLKSJQSA-N 1 2 236.315 1.317 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)c2cccnc2)CC1=O ZINC000273508884 386008657 /nfs/dbraw/zinc/00/86/57/386008657.db2.gz ODQVVPUIULTFQA-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)c2cccnc2)CC1=O ZINC000273508884 386008661 /nfs/dbraw/zinc/00/86/61/386008661.db2.gz ODQVVPUIULTFQA-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccn1 ZINC000331809354 386010391 /nfs/dbraw/zinc/01/03/91/386010391.db2.gz KXTSRHCVIVCGQW-PWSUYJOCSA-N 1 2 243.314 1.859 20 0 BDADLO CCCC[C@H](C)N(C)c1nc(C)[nH+]c(N)n1 ZINC000309476396 386013486 /nfs/dbraw/zinc/01/34/86/386013486.db2.gz VAQGDXFLXQYYQT-QMMMGPOBSA-N 1 2 223.324 1.777 20 0 BDADLO CCCC[C@H](C)N(C)c1nc(N)nc(C)[nH+]1 ZINC000309476396 386013491 /nfs/dbraw/zinc/01/34/91/386013491.db2.gz VAQGDXFLXQYYQT-QMMMGPOBSA-N 1 2 223.324 1.777 20 0 BDADLO CSC1(C[N@H+](C)Cc2nnc[nH]2)CCC1 ZINC000356106656 386014009 /nfs/dbraw/zinc/01/40/09/386014009.db2.gz FVRZGYKYSKBXIK-UHFFFAOYSA-N 1 2 226.349 1.522 20 0 BDADLO CSC1(C[N@@H+](C)Cc2nnc[nH]2)CCC1 ZINC000356106656 386014010 /nfs/dbraw/zinc/01/40/10/386014010.db2.gz FVRZGYKYSKBXIK-UHFFFAOYSA-N 1 2 226.349 1.522 20 0 BDADLO Cc1ccnc([C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000286303671 386019872 /nfs/dbraw/zinc/01/98/72/386019872.db2.gz WUQIOZPPFLSIIP-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO CC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453013593 386023831 /nfs/dbraw/zinc/02/38/31/386023831.db2.gz KECWLKURQAGPII-WDEREUQCSA-N 1 2 237.347 1.574 20 0 BDADLO CC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453013593 386023836 /nfs/dbraw/zinc/02/38/36/386023836.db2.gz KECWLKURQAGPII-WDEREUQCSA-N 1 2 237.347 1.574 20 0 BDADLO C[C@@H]1CCN(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000334420449 386023973 /nfs/dbraw/zinc/02/39/73/386023973.db2.gz ZZCSUVDPYFIKPT-SNVBAGLBSA-N 1 2 236.319 1.314 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]1CCCC[C@H]1C ZINC000414182690 386025033 /nfs/dbraw/zinc/02/50/33/386025033.db2.gz MDPDLQVFUIFGHW-MDZLAQPJSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@H]1CCCC[C@H]1C ZINC000414182690 386025037 /nfs/dbraw/zinc/02/50/37/386025037.db2.gz MDPDLQVFUIFGHW-MDZLAQPJSA-N 1 2 224.348 1.981 20 0 BDADLO Cc1cnccc1CN(C)Cc1[nH+]ccn1C ZINC000295422732 386030611 /nfs/dbraw/zinc/03/06/11/386030611.db2.gz NZOWSTDZPNCGQW-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[NH2+]Cc1noc(C2(F)CCCCC2)n1 ZINC000414640278 386032365 /nfs/dbraw/zinc/03/23/65/386032365.db2.gz IBTCCFHIGORDGR-UHFFFAOYSA-N 1 2 213.256 1.918 20 0 BDADLO C[C@@H]1CC[C@]2(C1)NC(=O)[C@@H]1CSCC[N@H+]12 ZINC000414199893 386038385 /nfs/dbraw/zinc/03/83/85/386038385.db2.gz DALHSDOYMKJCOS-YWVKMMECSA-N 1 2 226.345 1.050 20 0 BDADLO C[C@@H]1CC[C@]2(C1)NC(=O)[C@@H]1CSCC[N@@H+]12 ZINC000414199893 386038390 /nfs/dbraw/zinc/03/83/90/386038390.db2.gz DALHSDOYMKJCOS-YWVKMMECSA-N 1 2 226.345 1.050 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnoc1C ZINC000189654150 386057137 /nfs/dbraw/zinc/05/71/37/386057137.db2.gz ZWGMOLIFNZPKRQ-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnoc1C ZINC000189654150 386057142 /nfs/dbraw/zinc/05/71/42/386057142.db2.gz ZWGMOLIFNZPKRQ-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)C(C)(C)CC[N@H+](C)CC(F)F ZINC000338548440 386042452 /nfs/dbraw/zinc/04/24/52/386042452.db2.gz YMQWKTQXGVDGAR-UHFFFAOYSA-N 1 2 223.263 1.773 20 0 BDADLO COC(=O)C(C)(C)CC[N@@H+](C)CC(F)F ZINC000338548440 386042465 /nfs/dbraw/zinc/04/24/65/386042465.db2.gz YMQWKTQXGVDGAR-UHFFFAOYSA-N 1 2 223.263 1.773 20 0 BDADLO Cc1cc(CNC(=O)c2cccn2C)cc(C)[nH+]1 ZINC000335074826 386042777 /nfs/dbraw/zinc/04/27/77/386042777.db2.gz SCOVYWQXVADEKG-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CC(=O)c1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000295532216 386047650 /nfs/dbraw/zinc/04/76/50/386047650.db2.gz IZUPLWYBQXKZJN-CQSZACIVSA-N 1 2 249.310 1.082 20 0 BDADLO CC(=O)c1cccc(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000295532216 386047662 /nfs/dbraw/zinc/04/76/62/386047662.db2.gz IZUPLWYBQXKZJN-CQSZACIVSA-N 1 2 249.310 1.082 20 0 BDADLO CC[C@H](C)n1nc(NCc2[nH]cc[nH+]2)cc1C ZINC000345185203 386053762 /nfs/dbraw/zinc/05/37/62/386053762.db2.gz KJCKCKUUVXKZIB-VIFPVBQESA-N 1 2 233.319 1.920 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000335080034 386053836 /nfs/dbraw/zinc/05/38/36/386053836.db2.gz YTRQWPRMCAZJKP-VHSXEESVSA-N 1 2 239.294 1.896 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC(C2CC2)C1 ZINC000643288597 386054215 /nfs/dbraw/zinc/05/42/15/386054215.db2.gz WUNDKDBVYVDOGP-UHFFFAOYSA-N 1 2 219.288 1.211 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC(C2CC2)C1 ZINC000643288597 386054220 /nfs/dbraw/zinc/05/42/20/386054220.db2.gz WUNDKDBVYVDOGP-UHFFFAOYSA-N 1 2 219.288 1.211 20 0 BDADLO Cc1nnc(C[NH+]2CC(C)(C)OC(C)(C)C2)o1 ZINC000189658414 386055306 /nfs/dbraw/zinc/05/53/06/386055306.db2.gz DXEVXOVNFYWVCJ-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1cnccc1C(=O)NCCCn1cc[nH+]c1 ZINC000274463789 386107749 /nfs/dbraw/zinc/10/77/49/386107749.db2.gz KJWJFNXUJXHVPH-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(C2CC2)[nH]n1 ZINC000287284928 386109255 /nfs/dbraw/zinc/10/92/55/386109255.db2.gz RWTFARKYKZLMGF-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO c1nc2cnccn2c1C[N@H+](C1CC1)C1COC1 ZINC000295965719 386114010 /nfs/dbraw/zinc/11/40/10/386114010.db2.gz IEJFSCMYCCGAKO-UHFFFAOYSA-N 1 2 244.298 1.093 20 0 BDADLO c1nc2cnccn2c1C[N@@H+](C1CC1)C1COC1 ZINC000295965719 386114015 /nfs/dbraw/zinc/11/40/15/386114015.db2.gz IEJFSCMYCCGAKO-UHFFFAOYSA-N 1 2 244.298 1.093 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](CCO)c2ccco2)c[nH+]1 ZINC000274531646 386115446 /nfs/dbraw/zinc/11/54/46/386115446.db2.gz ISVLNFSHRBUBLB-VIFPVBQESA-N 1 2 249.270 1.165 20 0 BDADLO Cc1nc([C@@H](C)Nc2[nH+]cnc3[nH]ccc32)n[nH]1 ZINC000286653048 386064416 /nfs/dbraw/zinc/06/44/16/386064416.db2.gz WPBSAYRAQGBSOD-ZCFIWIBFSA-N 1 2 243.274 1.558 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CCCOC2)cc(C)[nH+]1 ZINC000335073251 386065842 /nfs/dbraw/zinc/06/58/42/386065842.db2.gz LGJGTQGGQYDTGQ-CYBMUJFWSA-N 1 2 248.326 1.741 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)C(C)C)C2 ZINC000365367785 386066458 /nfs/dbraw/zinc/06/64/58/386066458.db2.gz JNIHDZCGDSGPSC-NEPJUHHUSA-N 1 2 249.358 1.915 20 0 BDADLO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331837749 386072446 /nfs/dbraw/zinc/07/24/46/386072446.db2.gz YZWAOAZMWUUPGE-BKDNQFJXSA-N 1 2 239.319 1.527 20 0 BDADLO C[C@H]1OCC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000425443708 386076431 /nfs/dbraw/zinc/07/64/31/386076431.db2.gz KFQXDEKRRBEQEY-PHDIDXHHSA-N 1 2 233.218 1.274 20 0 BDADLO C[NH+](C)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000365401954 386080734 /nfs/dbraw/zinc/08/07/34/386080734.db2.gz HHOANDJQKXQWGF-ZDUSSCGKSA-N 1 2 236.363 1.299 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000345262165 386083447 /nfs/dbraw/zinc/08/34/47/386083447.db2.gz GYLZSMMOFWCLSI-WOPDTQHZSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000345262374 386084920 /nfs/dbraw/zinc/08/49/20/386084920.db2.gz HSWVXHBXBFDBRC-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO CC[NH+]1CCN(C(=O)c2sccc2F)CC1 ZINC000334451314 386091569 /nfs/dbraw/zinc/09/15/69/386091569.db2.gz VMSFKOAJZMALAC-UHFFFAOYSA-N 1 2 242.319 1.665 20 0 BDADLO CCC(C)(C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000073818128 386096617 /nfs/dbraw/zinc/09/66/17/386096617.db2.gz BKZATNHTIRBKEZ-UHFFFAOYSA-N 1 2 209.293 1.530 20 0 BDADLO Cc1nsc(SC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000645273283 386098845 /nfs/dbraw/zinc/09/88/45/386098845.db2.gz FVBUPTKHUWSGSO-QMMMGPOBSA-N 1 2 245.373 1.269 20 0 BDADLO Cc1nsc(SC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000645273283 386098849 /nfs/dbraw/zinc/09/88/49/386098849.db2.gz FVBUPTKHUWSGSO-QMMMGPOBSA-N 1 2 245.373 1.269 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1C ZINC000190084277 386146890 /nfs/dbraw/zinc/14/68/90/386146890.db2.gz NXYJFSQUYFEXOK-CYBMUJFWSA-N 1 2 246.354 1.966 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1C ZINC000190084277 386146894 /nfs/dbraw/zinc/14/68/94/386146894.db2.gz NXYJFSQUYFEXOK-CYBMUJFWSA-N 1 2 246.354 1.966 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@H]1F ZINC000338825257 386147474 /nfs/dbraw/zinc/14/74/74/386147474.db2.gz VCZRVCNYVDSTLG-RKDXNWHRSA-N 1 2 235.266 1.666 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CC1(C)CC1 ZINC000346281600 386189975 /nfs/dbraw/zinc/18/99/75/386189975.db2.gz PWRNCDJJEKPWNE-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425479472 386152709 /nfs/dbraw/zinc/15/27/09/386152709.db2.gz OCXGPQFZAINGIE-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425479472 386152711 /nfs/dbraw/zinc/15/27/11/386152711.db2.gz OCXGPQFZAINGIE-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO CO[C@H](C[N@H+]1CC(=O)N[C@@H](C)C1)c1ccccc1 ZINC000296259052 386156242 /nfs/dbraw/zinc/15/62/42/386156242.db2.gz PRQWOLCPXIXVRY-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C[N@@H+]1CC(=O)N[C@@H](C)C1)c1ccccc1 ZINC000296259052 386156247 /nfs/dbraw/zinc/15/62/47/386156247.db2.gz PRQWOLCPXIXVRY-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO C[N@H+](Cc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000414366858 386160260 /nfs/dbraw/zinc/16/02/60/386160260.db2.gz COROGXQEWJFMIX-UHFFFAOYSA-N 1 2 245.369 1.746 20 0 BDADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000414366858 386160264 /nfs/dbraw/zinc/16/02/64/386160264.db2.gz COROGXQEWJFMIX-UHFFFAOYSA-N 1 2 245.369 1.746 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)CO1 ZINC000645391685 386161597 /nfs/dbraw/zinc/16/15/97/386161597.db2.gz KZGHOVCTDCHYNG-ZJUUUORDSA-N 1 2 235.331 1.785 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263907645 386190578 /nfs/dbraw/zinc/19/05/78/386190578.db2.gz IOMRJBYRGXDJCE-QWRGUYRKSA-N 1 2 249.314 1.152 20 0 BDADLO Cc1nsc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000288114438 386167960 /nfs/dbraw/zinc/16/79/60/386167960.db2.gz PHMBGZASRRJLPP-UHFFFAOYSA-N 1 2 237.288 1.141 20 0 BDADLO CN(CC(C)(C)C)c1[nH+]cnc2c1cnn2C ZINC000263728886 386170246 /nfs/dbraw/zinc/17/02/46/386170246.db2.gz CHISOLXVHCMDHT-UHFFFAOYSA-N 1 2 233.319 1.846 20 0 BDADLO CCN(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288276204 386179063 /nfs/dbraw/zinc/17/90/63/386179063.db2.gz UVRPXMFJYUIHGV-SNVBAGLBSA-N 1 2 236.319 1.661 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425497989 386179538 /nfs/dbraw/zinc/17/95/38/386179538.db2.gz XWLFAPJGXJQASH-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425497989 386179543 /nfs/dbraw/zinc/17/95/43/386179543.db2.gz XWLFAPJGXJQASH-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@H]1CCC[N@H+]1C ZINC000263864245 386185245 /nfs/dbraw/zinc/18/52/45/386185245.db2.gz IYLMAUMLFAXJOY-SECBINFHSA-N 1 2 223.276 1.324 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000263864245 386185249 /nfs/dbraw/zinc/18/52/49/386185249.db2.gz IYLMAUMLFAXJOY-SECBINFHSA-N 1 2 223.276 1.324 20 0 BDADLO CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000263877699 386185865 /nfs/dbraw/zinc/18/58/65/386185865.db2.gz ZQAMNOOHKZEXKL-LLVKDONJSA-N 1 2 238.335 1.712 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C)n1 ZINC000346209084 386187204 /nfs/dbraw/zinc/18/72/04/386187204.db2.gz NZWVFHXEJBWWRO-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)n1 ZINC000346209084 386187208 /nfs/dbraw/zinc/18/72/08/386187208.db2.gz NZWVFHXEJBWWRO-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000310128796 386129002 /nfs/dbraw/zinc/12/90/02/386129002.db2.gz YBHYEIHWXRPNMU-KHQFGBGNSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000310128796 386129009 /nfs/dbraw/zinc/12/90/09/386129009.db2.gz YBHYEIHWXRPNMU-KHQFGBGNSA-N 1 2 235.335 1.999 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425463679 386132183 /nfs/dbraw/zinc/13/21/83/386132183.db2.gz WRICBSJZNRLBCJ-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425463679 386132187 /nfs/dbraw/zinc/13/21/87/386132187.db2.gz WRICBSJZNRLBCJ-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO Cc1cc(NC[C@H](CO)C2CCCCC2)nc[nH+]1 ZINC000338766596 386134570 /nfs/dbraw/zinc/13/45/70/386134570.db2.gz MZIRICXIGINXSM-CYBMUJFWSA-N 1 2 249.358 1.808 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCCSC2)c[nH+]1 ZINC000288462741 386205026 /nfs/dbraw/zinc/20/50/26/386205026.db2.gz UGELETWJUXNBJU-SECBINFHSA-N 1 2 239.344 1.591 20 0 BDADLO Cn1cc[nH+]c1CSc1nc2c([nH]1)CCC2 ZINC000336097863 386205467 /nfs/dbraw/zinc/20/54/67/386205467.db2.gz QMOKCWYFVZGZID-UHFFFAOYSA-N 1 2 234.328 1.924 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@H]2CCCOC2)n1 ZINC000329739738 386207701 /nfs/dbraw/zinc/20/77/01/386207701.db2.gz VANRFISMSHWRQL-SECBINFHSA-N 1 2 248.286 1.288 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccncc1C ZINC000296921629 386211612 /nfs/dbraw/zinc/21/16/12/386211612.db2.gz RXFWIQLOKMGFAZ-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccncc1C ZINC000296921629 386211616 /nfs/dbraw/zinc/21/16/16/386211616.db2.gz RXFWIQLOKMGFAZ-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC000340287855 386214311 /nfs/dbraw/zinc/21/43/11/386214311.db2.gz QGRCBZRZLFZYMQ-GXFFZTMASA-N 1 2 245.363 1.715 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC1(C)C ZINC000264180642 386215377 /nfs/dbraw/zinc/21/53/77/386215377.db2.gz NHGYQDUHVSFDQU-MRVPVSSYSA-N 1 2 222.292 1.018 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC000340287854 386215393 /nfs/dbraw/zinc/21/53/93/386215393.db2.gz QGRCBZRZLFZYMQ-GWCFXTLKSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1c[nH+]c(CNc2cnn(C)c2)n1C ZINC000309246846 386228480 /nfs/dbraw/zinc/22/84/80/386228480.db2.gz ZJFUCLDGQLSWOO-UHFFFAOYSA-N 1 2 205.265 1.074 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(F)(F)F ZINC000424950215 386229408 /nfs/dbraw/zinc/22/94/08/386229408.db2.gz LYIPPWRVNNOUQH-ZCFIWIBFSA-N 1 2 249.236 1.754 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCCc2occc2C1 ZINC000288762251 386232840 /nfs/dbraw/zinc/23/28/40/386232840.db2.gz IZADEDHQEJDWLK-UHFFFAOYSA-N 1 2 231.299 1.962 20 0 BDADLO Cn1ccnc1C[N@H+]1CCCc2occc2C1 ZINC000288762251 386232846 /nfs/dbraw/zinc/23/28/46/386232846.db2.gz IZADEDHQEJDWLK-UHFFFAOYSA-N 1 2 231.299 1.962 20 0 BDADLO C[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCOC1 ZINC000264433802 386236246 /nfs/dbraw/zinc/23/62/46/386236246.db2.gz OVYJFZLJPRWGAE-SECBINFHSA-N 1 2 249.270 1.550 20 0 BDADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCOC1 ZINC000264433802 386236251 /nfs/dbraw/zinc/23/62/51/386236251.db2.gz OVYJFZLJPRWGAE-SECBINFHSA-N 1 2 249.270 1.550 20 0 BDADLO C[N@H+](CCO)Cc1csc(-c2ccoc2)n1 ZINC000264421586 386236542 /nfs/dbraw/zinc/23/65/42/386236542.db2.gz ACAUXSNBLAJHOQ-UHFFFAOYSA-N 1 2 238.312 1.827 20 0 BDADLO C[N@@H+](CCO)Cc1csc(-c2ccoc2)n1 ZINC000264421586 386236545 /nfs/dbraw/zinc/23/65/45/386236545.db2.gz ACAUXSNBLAJHOQ-UHFFFAOYSA-N 1 2 238.312 1.827 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264470246 386240215 /nfs/dbraw/zinc/24/02/15/386240215.db2.gz QUGXXSFTBZXRST-GWCFXTLKSA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264470246 386240221 /nfs/dbraw/zinc/24/02/21/386240221.db2.gz QUGXXSFTBZXRST-GWCFXTLKSA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCCc2occc2C1 ZINC000288949910 386244121 /nfs/dbraw/zinc/24/41/21/386244121.db2.gz XKKAMMGAFSPTRI-JTQLQIEISA-N 1 2 221.256 1.343 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCCc2occc2C1 ZINC000288949910 386244128 /nfs/dbraw/zinc/24/41/28/386244128.db2.gz XKKAMMGAFSPTRI-JTQLQIEISA-N 1 2 221.256 1.343 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339091751 386244341 /nfs/dbraw/zinc/24/43/41/386244341.db2.gz SHOOASMWWMOYLC-SNVBAGLBSA-N 1 2 235.331 1.610 20 0 BDADLO CC[N@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000288977771 386247057 /nfs/dbraw/zinc/24/70/57/386247057.db2.gz CDOVHUCNFTWVLJ-UHFFFAOYSA-N 1 2 228.317 1.640 20 0 BDADLO CC[N@@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000288977771 386247064 /nfs/dbraw/zinc/24/70/64/386247064.db2.gz CDOVHUCNFTWVLJ-UHFFFAOYSA-N 1 2 228.317 1.640 20 0 BDADLO CCOCCOC1C[NH+](Cc2cccs2)C1 ZINC000297367233 386249364 /nfs/dbraw/zinc/24/93/64/386249364.db2.gz GFILIUGSRJNWRM-UHFFFAOYSA-N 1 2 241.356 1.985 20 0 BDADLO COC(C)(C)CC[N@H+](C)Cc1nncn1C ZINC000336646052 386254547 /nfs/dbraw/zinc/25/45/47/386254547.db2.gz DNVMZFYMCHPHGO-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO COC(C)(C)CC[N@@H+](C)Cc1nncn1C ZINC000336646052 386254549 /nfs/dbraw/zinc/25/45/49/386254549.db2.gz DNVMZFYMCHPHGO-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)CC1CCCCC1 ZINC000340278234 386192050 /nfs/dbraw/zinc/19/20/50/386192050.db2.gz LPVXNMMYRMHIKG-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)CC1CCCCC1 ZINC000340278234 386192054 /nfs/dbraw/zinc/19/20/54/386192054.db2.gz LPVXNMMYRMHIKG-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO C[N@H+](CC(F)F)C[C@H](O)Cc1ccc(F)cc1 ZINC000338965366 386192945 /nfs/dbraw/zinc/19/29/45/386192945.db2.gz VTOPJLHNBMGNDK-LLVKDONJSA-N 1 2 247.260 1.926 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H](O)Cc1ccc(F)cc1 ZINC000338965366 386192951 /nfs/dbraw/zinc/19/29/51/386192951.db2.gz VTOPJLHNBMGNDK-LLVKDONJSA-N 1 2 247.260 1.926 20 0 BDADLO CCc1nc(COCc2[nH]cc[nH+]2)no1 ZINC000340545489 386193317 /nfs/dbraw/zinc/19/33/17/386193317.db2.gz PWLXXDNOHNIGNX-UHFFFAOYSA-N 1 2 208.221 1.072 20 0 BDADLO Cc1ccoc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000275221571 386193468 /nfs/dbraw/zinc/19/34/68/386193468.db2.gz LCTSGBJLOWHYAS-UHFFFAOYSA-N 1 2 222.288 1.410 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccncc1 ZINC000263936386 386193807 /nfs/dbraw/zinc/19/38/07/386193807.db2.gz SWIBBLUQVDKCHB-UHFFFAOYSA-N 1 2 245.286 1.479 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000263946747 386195140 /nfs/dbraw/zinc/19/51/40/386195140.db2.gz UZCXLLOSTOILMX-MWLCHTKSSA-N 1 2 244.298 1.542 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000339000890 386197060 /nfs/dbraw/zinc/19/70/60/386197060.db2.gz PPFWMWZTYKWLEZ-GFCCVEGCSA-N 1 2 227.279 1.748 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000339000890 386197063 /nfs/dbraw/zinc/19/70/63/386197063.db2.gz PPFWMWZTYKWLEZ-GFCCVEGCSA-N 1 2 227.279 1.748 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)cn1 ZINC000276174072 386281414 /nfs/dbraw/zinc/28/14/14/386281414.db2.gz FTZMXNSIHGILKD-FVMDXXJSSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)cn1 ZINC000276174072 386281420 /nfs/dbraw/zinc/28/14/20/386281420.db2.gz FTZMXNSIHGILKD-FVMDXXJSSA-N 1 2 244.335 1.420 20 0 BDADLO O=C1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)CN1 ZINC000264883135 386282662 /nfs/dbraw/zinc/28/26/62/386282662.db2.gz RLYUSOXJRHRIPD-SECBINFHSA-N 1 2 232.287 1.045 20 0 BDADLO CSCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000339167842 386282726 /nfs/dbraw/zinc/28/27/26/386282726.db2.gz MTDBCXRAMMXPIQ-UHFFFAOYSA-N 1 2 241.360 1.174 20 0 BDADLO CCC(=O)N1CC[N@H+](CC[C@H](C)F)C1 ZINC000425505422 386285944 /nfs/dbraw/zinc/28/59/44/386285944.db2.gz AUIOTYJRCQPJPR-VIFPVBQESA-N 1 2 202.273 1.246 20 0 BDADLO CCC(=O)N1CC[N@@H+](CC[C@H](C)F)C1 ZINC000425505422 386285947 /nfs/dbraw/zinc/28/59/47/386285947.db2.gz AUIOTYJRCQPJPR-VIFPVBQESA-N 1 2 202.273 1.246 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)nn1 ZINC000414397517 386286264 /nfs/dbraw/zinc/28/62/64/386286264.db2.gz PKZZOXGEODONHV-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)nn1 ZINC000414397517 386286265 /nfs/dbraw/zinc/28/62/65/386286265.db2.gz PKZZOXGEODONHV-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264927752 386287302 /nfs/dbraw/zinc/28/73/02/386287302.db2.gz MLEYCUZHXRCZNR-SSDOTTSWSA-N 1 2 247.302 1.251 20 0 BDADLO CCc1cccnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000347220159 386287530 /nfs/dbraw/zinc/28/75/30/386287530.db2.gz MJHJYDXMMYUVHV-UHFFFAOYSA-N 1 2 244.298 1.340 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000276231323 386290809 /nfs/dbraw/zinc/29/08/09/386290809.db2.gz NCSZJGHITIVHCR-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000276231323 386290813 /nfs/dbraw/zinc/29/08/13/386290813.db2.gz NCSZJGHITIVHCR-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H]1CC12CC2 ZINC000416397366 386291874 /nfs/dbraw/zinc/29/18/74/386291874.db2.gz JHFACFWULNVICF-NSHDSACASA-N 1 2 248.330 1.373 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336668013 386295358 /nfs/dbraw/zinc/29/53/58/386295358.db2.gz QQVLXNCYEDPUGE-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336668013 386295366 /nfs/dbraw/zinc/29/53/66/386295366.db2.gz QQVLXNCYEDPUGE-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO C[C@@]1([NH2+]CCCc2ccccc2)CCOC1=O ZINC000289402854 386298502 /nfs/dbraw/zinc/29/85/02/386298502.db2.gz AENZBGZIMJMXMS-CQSZACIVSA-N 1 2 233.311 1.914 20 0 BDADLO Cc1ccncc1CCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000289433624 386303708 /nfs/dbraw/zinc/30/37/08/386303708.db2.gz VZJJQXFEDJQDBP-LBPRGKRZSA-N 1 2 247.342 1.143 20 0 BDADLO Cc1ccncc1CCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000289433624 386303713 /nfs/dbraw/zinc/30/37/13/386303713.db2.gz VZJJQXFEDJQDBP-LBPRGKRZSA-N 1 2 247.342 1.143 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2[nH]ncc2C)o1 ZINC000289437427 386305787 /nfs/dbraw/zinc/30/57/87/386305787.db2.gz FPFSAICAJSOOBP-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2n[nH]cc2C)o1 ZINC000289437427 386305793 /nfs/dbraw/zinc/30/57/93/386305793.db2.gz FPFSAICAJSOOBP-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO CCN(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000298210328 386308742 /nfs/dbraw/zinc/30/87/42/386308742.db2.gz SPCJETYGKISLFS-UHFFFAOYSA-N 1 2 243.310 1.888 20 0 BDADLO CCc1nc(Nc2cn(C)nc2OC)cc(C)[nH+]1 ZINC000343209555 386311593 /nfs/dbraw/zinc/31/15/93/386311593.db2.gz VZSTVCLAWABKNT-UHFFFAOYSA-N 1 2 247.302 1.255 20 0 BDADLO C[N@@H+](Cc1cnns1)C[C@@H]1CCCO1 ZINC000336681726 386319328 /nfs/dbraw/zinc/31/93/28/386319328.db2.gz HNIZEGYRQILVAH-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[N@H+](Cc1cnns1)C[C@@H]1CCCO1 ZINC000336681726 386319336 /nfs/dbraw/zinc/31/93/36/386319336.db2.gz HNIZEGYRQILVAH-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCSC)C1 ZINC000425519947 386322142 /nfs/dbraw/zinc/32/21/42/386322142.db2.gz PTSIOSUNGZRGAS-UHFFFAOYSA-N 1 2 216.350 1.251 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCSC)C1 ZINC000425519947 386322150 /nfs/dbraw/zinc/32/21/50/386322150.db2.gz PTSIOSUNGZRGAS-UHFFFAOYSA-N 1 2 216.350 1.251 20 0 BDADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cnn(C)n1 ZINC000289530599 386322378 /nfs/dbraw/zinc/32/23/78/386322378.db2.gz BSFRAMWUURACSK-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cnn(C)n1 ZINC000289530599 386322382 /nfs/dbraw/zinc/32/23/82/386322382.db2.gz BSFRAMWUURACSK-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO Cc1[nH]nc(C(=O)N(C)Cc2[nH+]ccn2C)c1C ZINC000265279528 386325348 /nfs/dbraw/zinc/32/53/48/386325348.db2.gz XTJPSFUXJSXBPV-UHFFFAOYSA-N 1 2 247.302 1.032 20 0 BDADLO CSCC[N@H+](C)Cc1nccc(C)n1 ZINC000336676399 386324045 /nfs/dbraw/zinc/32/40/45/386324045.db2.gz XMHMUAPRKXLPPA-UHFFFAOYSA-N 1 2 211.334 1.580 20 0 BDADLO CSCC[N@@H+](C)Cc1nccc(C)n1 ZINC000336676399 386324053 /nfs/dbraw/zinc/32/40/53/386324053.db2.gz XMHMUAPRKXLPPA-UHFFFAOYSA-N 1 2 211.334 1.580 20 0 BDADLO CCC1(O)CC[NH+](Cc2nccc(C)n2)CC1 ZINC000336700239 386386271 /nfs/dbraw/zinc/38/62/71/386386271.db2.gz LDWGMOOTFXGCCH-UHFFFAOYSA-N 1 2 235.331 1.522 20 0 BDADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCO)o1 ZINC000265507144 386344398 /nfs/dbraw/zinc/34/43/98/386344398.db2.gz OJDCPZBJKLBIEL-GFCCVEGCSA-N 1 2 239.315 1.598 20 0 BDADLO CCc1ccc([C@H]2COCC[N@H+]2CCCO)o1 ZINC000265507144 386344405 /nfs/dbraw/zinc/34/44/05/386344405.db2.gz OJDCPZBJKLBIEL-GFCCVEGCSA-N 1 2 239.315 1.598 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ncc(C)cn1 ZINC000339292633 386345688 /nfs/dbraw/zinc/34/56/88/386345688.db2.gz ZZUIKBLKBIJZMN-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ncc(C)cn1 ZINC000339292633 386345692 /nfs/dbraw/zinc/34/56/92/386345692.db2.gz ZZUIKBLKBIJZMN-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3ccon3)C2)c1 ZINC000289749030 386349232 /nfs/dbraw/zinc/34/92/32/386349232.db2.gz FHZLUNZVQGZCGU-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccon3)C2)c1 ZINC000289749030 386349238 /nfs/dbraw/zinc/34/92/38/386349238.db2.gz FHZLUNZVQGZCGU-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO Cn1cccc1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000289752688 386350778 /nfs/dbraw/zinc/35/07/78/386350778.db2.gz QQRIKQBGRMHLTB-LLVKDONJSA-N 1 2 244.285 1.881 20 0 BDADLO Cn1cccc1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000289752688 386350783 /nfs/dbraw/zinc/35/07/83/386350783.db2.gz QQRIKQBGRMHLTB-LLVKDONJSA-N 1 2 244.285 1.881 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc(C)sc1C ZINC000339293529 386350842 /nfs/dbraw/zinc/35/08/42/386350842.db2.gz RKDUNPRVSHJBTF-SNVBAGLBSA-N 1 2 226.345 1.981 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc(C)sc1C ZINC000339293529 386350847 /nfs/dbraw/zinc/35/08/47/386350847.db2.gz RKDUNPRVSHJBTF-SNVBAGLBSA-N 1 2 226.345 1.981 20 0 BDADLO COC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000226652321 386354243 /nfs/dbraw/zinc/35/42/43/386354243.db2.gz LUOHOKQTRWBENW-ZDUSSCGKSA-N 1 2 231.299 1.887 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000276618913 386354318 /nfs/dbraw/zinc/35/43/18/386354318.db2.gz QLZQXVHYYUKFDG-ALWPCLGOSA-N 1 2 235.287 1.107 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347319565 386359069 /nfs/dbraw/zinc/35/90/69/386359069.db2.gz HXVNVERCGRTFFG-HSMVNMDESA-N 1 2 247.404 1.644 20 0 BDADLO CCCCOCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000347319565 386359070 /nfs/dbraw/zinc/35/90/70/386359070.db2.gz HXVNVERCGRTFFG-HSMVNMDESA-N 1 2 247.404 1.644 20 0 BDADLO CSCCCCC(=O)NCc1[nH+]ccn1C ZINC000265730116 386363527 /nfs/dbraw/zinc/36/35/27/386363527.db2.gz ASUODWTVJWOSBN-UHFFFAOYSA-N 1 2 241.360 1.570 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347371338 386367735 /nfs/dbraw/zinc/36/77/35/386367735.db2.gz MHFOITSLBPHDPT-ZYHUDNBSSA-N 1 2 247.310 1.125 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347371338 386367742 /nfs/dbraw/zinc/36/77/42/386367742.db2.gz MHFOITSLBPHDPT-ZYHUDNBSSA-N 1 2 247.310 1.125 20 0 BDADLO CCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265790315 386370292 /nfs/dbraw/zinc/37/02/92/386370292.db2.gz UHIXVKQZNFGTRP-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H](O)c1ccccc1 ZINC000265817176 386374153 /nfs/dbraw/zinc/37/41/53/386374153.db2.gz RFFGGDUAUASRFR-CYBMUJFWSA-N 1 2 232.283 1.840 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H](O)c1ccccc1 ZINC000265817176 386374162 /nfs/dbraw/zinc/37/41/62/386374162.db2.gz RFFGGDUAUASRFR-CYBMUJFWSA-N 1 2 232.283 1.840 20 0 BDADLO CN(C)c1cccnc1CNCc1[nH]cc[nH+]1 ZINC000289958248 386377158 /nfs/dbraw/zinc/37/71/58/386377158.db2.gz YAYUOWJYDARJKY-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1ncc[nH]1 ZINC000289958248 386377162 /nfs/dbraw/zinc/37/71/62/386377162.db2.gz YAYUOWJYDARJKY-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO CN1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000334494984 386378141 /nfs/dbraw/zinc/37/81/41/386378141.db2.gz BQWXILCBCOXKBW-VIFPVBQESA-N 1 2 242.706 1.596 20 0 BDADLO CN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000334494984 386378147 /nfs/dbraw/zinc/37/81/47/386378147.db2.gz BQWXILCBCOXKBW-VIFPVBQESA-N 1 2 242.706 1.596 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000265870586 386382533 /nfs/dbraw/zinc/38/25/33/386382533.db2.gz YRQZFSXGGZCKPU-STQMWFEESA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H](C[N@@H+]1CC[C@@](C)(F)C1)CS(C)(=O)=O ZINC000347396880 386385275 /nfs/dbraw/zinc/38/52/75/386385275.db2.gz VEFYMSWCIUNFHB-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@@H](C[N@H+]1CC[C@@](C)(F)C1)CS(C)(=O)=O ZINC000347396880 386385277 /nfs/dbraw/zinc/38/52/77/386385277.db2.gz VEFYMSWCIUNFHB-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC2(C)C)nc[nH+]1 ZINC000298325945 386325866 /nfs/dbraw/zinc/32/58/66/386325866.db2.gz RPCYLDUETIZMQD-DTWKUNHWSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC2(C)C)[nH+]cn1 ZINC000298325945 386325875 /nfs/dbraw/zinc/32/58/75/386325875.db2.gz RPCYLDUETIZMQD-DTWKUNHWSA-N 1 2 236.319 1.480 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cn[nH]c2C)C1 ZINC000289644296 386337864 /nfs/dbraw/zinc/33/78/64/386337864.db2.gz XRHRKFQNJWSPTG-PHIMTYICSA-N 1 2 209.293 1.327 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cn[nH]c2C)C1 ZINC000289644296 386337871 /nfs/dbraw/zinc/33/78/71/386337871.db2.gz XRHRKFQNJWSPTG-PHIMTYICSA-N 1 2 209.293 1.327 20 0 BDADLO CC(C)(C)CC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000519408974 386436622 /nfs/dbraw/zinc/43/66/22/386436622.db2.gz PGEMSVWUHVRUSQ-UHFFFAOYSA-N 1 2 238.335 1.022 20 0 BDADLO CC(C)(C)CC[N@H+]1CCn2nnc(CO)c2C1 ZINC000519408974 386436627 /nfs/dbraw/zinc/43/66/27/386436627.db2.gz PGEMSVWUHVRUSQ-UHFFFAOYSA-N 1 2 238.335 1.022 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nccc(C)n1 ZINC000336717733 386441191 /nfs/dbraw/zinc/44/11/91/386441191.db2.gz YGGSWTTYWIIAHU-SNVBAGLBSA-N 1 2 209.293 1.252 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nccc(C)n1 ZINC000336717733 386441195 /nfs/dbraw/zinc/44/11/95/386441195.db2.gz YGGSWTTYWIIAHU-SNVBAGLBSA-N 1 2 209.293 1.252 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000290495445 386443365 /nfs/dbraw/zinc/44/33/65/386443365.db2.gz IKJLJSAGUPUTSA-SFYZADRCSA-N 1 2 235.291 1.199 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000347542945 386448080 /nfs/dbraw/zinc/44/80/80/386448080.db2.gz XDJWTZRCNXIQSY-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000347542945 386448089 /nfs/dbraw/zinc/44/80/89/386448089.db2.gz XDJWTZRCNXIQSY-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[N@H+](CC[C@H](O)c1ccccc1)Cc1nnc[nH]1 ZINC000290534440 386448695 /nfs/dbraw/zinc/44/86/95/386448695.db2.gz ZNENJFDEOVIEOT-LBPRGKRZSA-N 1 2 246.314 1.360 20 0 BDADLO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1nnc[nH]1 ZINC000290534440 386448697 /nfs/dbraw/zinc/44/86/97/386448697.db2.gz ZNENJFDEOVIEOT-LBPRGKRZSA-N 1 2 246.314 1.360 20 0 BDADLO CCOC1CC([N@H+](C)Cc2noc(C)n2)C1 ZINC000347407003 386390272 /nfs/dbraw/zinc/39/02/72/386390272.db2.gz CDHMEOBXDROMMD-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2noc(C)n2)C1 ZINC000347407003 386390275 /nfs/dbraw/zinc/39/02/75/386390275.db2.gz CDHMEOBXDROMMD-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000237553077 386390444 /nfs/dbraw/zinc/39/04/44/386390444.db2.gz DNELEEUUUQHPRU-ZDUSSCGKSA-N 1 2 249.289 1.680 20 0 BDADLO CCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334496991 386394128 /nfs/dbraw/zinc/39/41/28/386394128.db2.gz BJENEPRFLWXYBW-IUCAKERBSA-N 1 2 222.292 1.598 20 0 BDADLO CCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334496971 386395221 /nfs/dbraw/zinc/39/52/21/386395221.db2.gz BJENEPRFLWXYBW-BDAKNGLRSA-N 1 2 222.292 1.598 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000290149332 386399365 /nfs/dbraw/zinc/39/93/65/386399365.db2.gz NDPKRVURRZHVSH-NXEZZACHSA-N 1 2 237.303 1.935 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000336700449 386402353 /nfs/dbraw/zinc/40/23/53/386402353.db2.gz KLGJBQCTQVXUNJ-SNVBAGLBSA-N 1 2 241.335 1.735 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000336700449 386402357 /nfs/dbraw/zinc/40/23/57/386402357.db2.gz KLGJBQCTQVXUNJ-SNVBAGLBSA-N 1 2 241.335 1.735 20 0 BDADLO Cc1nsc(NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000266151077 386402999 /nfs/dbraw/zinc/40/29/99/386402999.db2.gz UAMALMAEBGRUMS-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCC3)nn1C ZINC000336702125 386403248 /nfs/dbraw/zinc/40/32/48/386403248.db2.gz MCARIDVSTAWYPF-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCC3)nn1C ZINC000336702125 386403253 /nfs/dbraw/zinc/40/32/53/386403253.db2.gz MCARIDVSTAWYPF-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc(Cl)n1C ZINC000299120490 386415170 /nfs/dbraw/zinc/41/51/70/386415170.db2.gz FNPRBPMXWXUQOT-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc(Cl)n1C ZINC000299120490 386415174 /nfs/dbraw/zinc/41/51/74/386415174.db2.gz FNPRBPMXWXUQOT-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000290279687 386415759 /nfs/dbraw/zinc/41/57/59/386415759.db2.gz YXQRBCLIYQJRRW-ONGXEEELSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000290279687 386415763 /nfs/dbraw/zinc/41/57/63/386415763.db2.gz YXQRBCLIYQJRRW-ONGXEEELSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H]1C(F)F ZINC000647991778 386418836 /nfs/dbraw/zinc/41/88/36/386418836.db2.gz KFGQYKKAPJVMJD-SECBINFHSA-N 1 2 241.241 1.683 20 0 BDADLO CCc1c(C(=O)NCc2[nH]c[nH+]c2C)ccn1C ZINC000290322329 386419065 /nfs/dbraw/zinc/41/90/65/386419065.db2.gz LDFPQHYFVGBECP-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000336709472 386422593 /nfs/dbraw/zinc/42/25/93/386422593.db2.gz XFZFMOVPTNBFFE-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000336709472 386422601 /nfs/dbraw/zinc/42/26/01/386422601.db2.gz XFZFMOVPTNBFFE-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CCCCO2)nn1C ZINC000336712212 386434977 /nfs/dbraw/zinc/43/49/77/386434977.db2.gz RQESEWUIQNNSMV-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)nn1C ZINC000336712212 386434984 /nfs/dbraw/zinc/43/49/84/386434984.db2.gz RQESEWUIQNNSMV-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CS(=O)(=O)CCCCCNc1cccc[nH+]1 ZINC000274800184 386435918 /nfs/dbraw/zinc/43/59/18/386435918.db2.gz UXCFBTXGIBWFFK-UHFFFAOYSA-N 1 2 242.344 1.708 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000417250075 386466151 /nfs/dbraw/zinc/46/61/51/386466151.db2.gz GMCCOQJEIKTZMB-VIFPVBQESA-N 1 2 239.319 1.760 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000417250075 386466153 /nfs/dbraw/zinc/46/61/53/386466153.db2.gz GMCCOQJEIKTZMB-VIFPVBQESA-N 1 2 239.319 1.760 20 0 BDADLO CN(Cc1ccco1)C(=O)CCn1cc[nH+]c1 ZINC000299583206 386467509 /nfs/dbraw/zinc/46/75/09/386467509.db2.gz CWQQRSUHZJXGCH-UHFFFAOYSA-N 1 2 233.271 1.525 20 0 BDADLO CCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000336329186 386469875 /nfs/dbraw/zinc/46/98/75/386469875.db2.gz JBHUARFXHBNFSD-UHFFFAOYSA-N 1 2 237.368 1.813 20 0 BDADLO Cc1cnc(NC(=O)CCn2cc[nH+]c2)s1 ZINC000299642118 386475452 /nfs/dbraw/zinc/47/54/52/386475452.db2.gz LZVRIORUSQBRKP-UHFFFAOYSA-N 1 2 236.300 1.677 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2cscn2)no1 ZINC000299623932 386475540 /nfs/dbraw/zinc/47/55/40/386475540.db2.gz QYLBLOZTVKVALB-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2cscn2)no1 ZINC000299623932 386475548 /nfs/dbraw/zinc/47/55/48/386475548.db2.gz QYLBLOZTVKVALB-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1cccs1 ZINC000299660321 386477590 /nfs/dbraw/zinc/47/75/90/386477590.db2.gz PAWVILAGASIWAF-UHFFFAOYSA-N 1 2 235.312 1.651 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2CCC[C@H]21 ZINC000299699232 386481468 /nfs/dbraw/zinc/48/14/68/386481468.db2.gz ZNWZZFVIWQPQHT-VXGBXAGGSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1ccsc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290887687 386484140 /nfs/dbraw/zinc/48/41/40/386484140.db2.gz FMBNPRPJXQHEMO-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290917738 386485600 /nfs/dbraw/zinc/48/56/00/386485600.db2.gz JYZXMGRGDASOOI-OCCSQVGLSA-N 1 2 247.342 1.908 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339581031 386485974 /nfs/dbraw/zinc/48/59/74/386485974.db2.gz UFHIEWXCVUWPBY-RKDXNWHRSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339581031 386485982 /nfs/dbraw/zinc/48/59/82/386485982.db2.gz UFHIEWXCVUWPBY-RKDXNWHRSA-N 1 2 223.272 1.906 20 0 BDADLO CCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290930027 386489822 /nfs/dbraw/zinc/48/98/22/386489822.db2.gz MFFAZZQCTYWCKV-UHFFFAOYSA-N 1 2 221.304 1.806 20 0 BDADLO Cn1ncc2c1nc(N[C@@H]1CC=CCC1)[nH+]c2N ZINC000278211694 386501451 /nfs/dbraw/zinc/50/14/51/386501451.db2.gz FRLPIFINLIPJIK-MRVPVSSYSA-N 1 2 244.302 1.466 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000267137528 386501680 /nfs/dbraw/zinc/50/16/80/386501680.db2.gz NELUKNFKVUYPNI-MRVPVSSYSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@H](CNC(=O)[C@@H](C)C1CC1)Cn1cc[nH+]c1 ZINC000267193561 386505835 /nfs/dbraw/zinc/50/58/35/386505835.db2.gz ZERFLXXIYJWNHD-MNOVXSKESA-N 1 2 235.331 1.682 20 0 BDADLO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2csnn2)C1 ZINC000647971526 386506156 /nfs/dbraw/zinc/50/61/56/386506156.db2.gz MOGSFNSZYRTJSX-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2csnn2)C1 ZINC000647971526 386506162 /nfs/dbraw/zinc/50/61/62/386506162.db2.gz MOGSFNSZYRTJSX-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1cc(NCCCc2cccc(C)[nH+]2)ncn1 ZINC000343233579 386514950 /nfs/dbraw/zinc/51/49/50/386514950.db2.gz JCJPUPWEDJHPMJ-UHFFFAOYSA-N 1 2 242.326 1.955 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@H]1CCCSC1 ZINC000061578036 386520793 /nfs/dbraw/zinc/52/07/93/386520793.db2.gz PSQMIZPYHPZUEB-QMMMGPOBSA-N 1 2 217.334 1.423 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C)o1 ZINC000291184104 386521309 /nfs/dbraw/zinc/52/13/09/386521309.db2.gz FWOIQYFXAAZMMR-LBPRGKRZSA-N 1 2 239.315 1.825 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C)o1 ZINC000291184104 386521313 /nfs/dbraw/zinc/52/13/13/386521313.db2.gz FWOIQYFXAAZMMR-LBPRGKRZSA-N 1 2 239.315 1.825 20 0 BDADLO CCC1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000267296384 386524104 /nfs/dbraw/zinc/52/41/04/386524104.db2.gz DPCYLWDWTPTTGW-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CN(Cc1nccn1C)c1cccc[nH+]1 ZINC000299437297 386453265 /nfs/dbraw/zinc/45/32/65/386453265.db2.gz PAOSJLZMMSRPLM-UHFFFAOYSA-N 1 2 202.261 1.452 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](C)[C@@H]2CCCO2)no1 ZINC000183136021 386458759 /nfs/dbraw/zinc/45/87/59/386458759.db2.gz JKHQECISEOIKCL-ZJUUUORDSA-N 1 2 239.319 1.850 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000335286863 386460439 /nfs/dbraw/zinc/46/04/39/386460439.db2.gz DKJJSHWCTIRMFE-ANRSDYALSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(F)(F)F ZINC000335286863 386460443 /nfs/dbraw/zinc/46/04/43/386460443.db2.gz DKJJSHWCTIRMFE-ANRSDYALSA-N 1 2 243.294 1.782 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+]1CCOC[C@@H]1C ZINC000648039556 386462591 /nfs/dbraw/zinc/46/25/91/386462591.db2.gz LMCAFPAQNZJRHK-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1nccc1C[N@H+]1CCOC[C@@H]1C ZINC000648039556 386462596 /nfs/dbraw/zinc/46/25/96/386462596.db2.gz LMCAFPAQNZJRHK-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)CC[C@H](C)O)nn1 ZINC000347859135 386465903 /nfs/dbraw/zinc/46/59/03/386465903.db2.gz FOIIAOXOFWRUII-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+](C)CC[C@H](C)O)nn1 ZINC000347859135 386465909 /nfs/dbraw/zinc/46/59/09/386465909.db2.gz FOIIAOXOFWRUII-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CCO[C@H](CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000098101217 386577693 /nfs/dbraw/zinc/57/76/93/386577693.db2.gz JDTNREVPVVCUIX-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C ZINC000267744602 386579376 /nfs/dbraw/zinc/57/93/76/386579376.db2.gz XEICJWTZIOLXTE-QWRGUYRKSA-N 1 2 236.319 1.466 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000414457885 386579931 /nfs/dbraw/zinc/57/99/31/386579931.db2.gz VPMSXNKHTVCTTO-CYBMUJFWSA-N 1 2 249.310 1.768 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000414457885 386579941 /nfs/dbraw/zinc/57/99/41/386579941.db2.gz VPMSXNKHTVCTTO-CYBMUJFWSA-N 1 2 249.310 1.768 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)s1 ZINC000062337273 386581493 /nfs/dbraw/zinc/58/14/93/386581493.db2.gz ZHIFTMQSUNVMSW-JTQLQIEISA-N 1 2 240.328 1.589 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)s1 ZINC000062337273 386581500 /nfs/dbraw/zinc/58/15/00/386581500.db2.gz ZHIFTMQSUNVMSW-JTQLQIEISA-N 1 2 240.328 1.589 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000336644103 386588317 /nfs/dbraw/zinc/58/83/17/386588317.db2.gz AANRKUMMDNMTOC-BDAKNGLRSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC1CCCC1 ZINC000278843349 386592477 /nfs/dbraw/zinc/59/24/77/386592477.db2.gz KSFCHOSNSJMXJA-UHFFFAOYSA-N 1 2 235.331 1.909 20 0 BDADLO CC(C)CCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278510448 386535712 /nfs/dbraw/zinc/53/57/12/386535712.db2.gz YBMUJFWDBBRXJL-UHFFFAOYSA-N 1 2 248.334 1.794 20 0 BDADLO CC[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278525020 386539563 /nfs/dbraw/zinc/53/95/63/386539563.db2.gz ZKOOUDUITUEHGI-QMMMGPOBSA-N 1 2 246.318 1.182 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)[nH]1 ZINC000336906481 386547816 /nfs/dbraw/zinc/54/78/16/386547816.db2.gz XULUTLKEEIBACK-WDEREUQCSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)[nH]1 ZINC000336906481 386547820 /nfs/dbraw/zinc/54/78/20/386547820.db2.gz XULUTLKEEIBACK-WDEREUQCSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)c1cccnc1 ZINC000278561351 386549003 /nfs/dbraw/zinc/54/90/03/386549003.db2.gz HUHZRBGUFYVUMF-SECBINFHSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1c(C[NH2+][C@@H](C)c2ccon2)cnn1C ZINC000336780617 386556313 /nfs/dbraw/zinc/55/63/13/386556313.db2.gz RVJDXHQMWRCXDK-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@H](O)CN(Cc1c[nH+]cn1C)c1ccccc1 ZINC000267587944 386556328 /nfs/dbraw/zinc/55/63/28/386556328.db2.gz IDKQGVBKZHBMBB-LBPRGKRZSA-N 1 2 245.326 1.808 20 0 BDADLO Cc1nc(C)c(NC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000267631582 386564975 /nfs/dbraw/zinc/56/49/75/386564975.db2.gz FWWPSJTZEKURSD-SECBINFHSA-N 1 2 239.344 1.793 20 0 BDADLO Cc1nc(C)c(NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000267631582 386564978 /nfs/dbraw/zinc/56/49/78/386564978.db2.gz FWWPSJTZEKURSD-SECBINFHSA-N 1 2 239.344 1.793 20 0 BDADLO CCc1cc(NCc2c[nH+]ccc2OC)ncn1 ZINC000644867252 386565211 /nfs/dbraw/zinc/56/52/11/386565211.db2.gz XARLBPSAQNQECF-UHFFFAOYSA-N 1 2 244.298 1.477 20 0 BDADLO CC[C@]1(C)CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000329168073 386622720 /nfs/dbraw/zinc/62/27/20/386622720.db2.gz IPINPQDZFITHQT-GFCCVEGCSA-N 1 2 235.287 1.095 20 0 BDADLO COC[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000644933906 386622947 /nfs/dbraw/zinc/62/29/47/386622947.db2.gz BGLCHAXYUNSKCC-YFKPBYRVSA-N 1 2 221.207 1.132 20 0 BDADLO CO[C@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000644931268 386629955 /nfs/dbraw/zinc/62/99/55/386629955.db2.gz KHGMYVNSPJGOFY-VHSXEESVSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000644931268 386629959 /nfs/dbraw/zinc/62/99/59/386629959.db2.gz KHGMYVNSPJGOFY-VHSXEESVSA-N 1 2 235.274 1.113 20 0 BDADLO CS[C@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000339799790 386644220 /nfs/dbraw/zinc/64/42/20/386644220.db2.gz WSYGVOOCEVPCRZ-MRVPVSSYSA-N 1 2 227.333 1.510 20 0 BDADLO CCCc1csc(C[NH2+][C@H](C)C(=O)NC)n1 ZINC000336782496 386646320 /nfs/dbraw/zinc/64/63/20/386646320.db2.gz XVLMGHLADYDJEH-MRVPVSSYSA-N 1 2 241.360 1.320 20 0 BDADLO CC[C@@H]1C[C@@H](CNCC(F)(F)C[NH3+])CCO1 ZINC000414922799 386603931 /nfs/dbraw/zinc/60/39/31/386603931.db2.gz DFDGFUJWKOQFSB-VHSXEESVSA-N 1 2 236.306 1.375 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](C)O ZINC000245776266 386605610 /nfs/dbraw/zinc/60/56/10/386605610.db2.gz LNICVAIYJPZPIY-CMPLNLGQSA-N 1 2 237.299 1.213 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)O ZINC000245776266 386605617 /nfs/dbraw/zinc/60/56/17/386605617.db2.gz LNICVAIYJPZPIY-CMPLNLGQSA-N 1 2 237.299 1.213 20 0 BDADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000268006782 386606460 /nfs/dbraw/zinc/60/64/60/386606460.db2.gz DATWHHFTQOGEAB-RDDDGLTNSA-N 1 2 247.298 1.162 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000278948399 386608078 /nfs/dbraw/zinc/60/80/78/386608078.db2.gz VKQZFZPEQZMBOA-GHMZBOCLSA-N 1 2 233.315 1.519 20 0 BDADLO Cc1ccc(NC(=O)Cc2cnn(C)c2)c(C)[nH+]1 ZINC000268019304 386610584 /nfs/dbraw/zinc/61/05/84/386610584.db2.gz SRRHUQZEWXFZRZ-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO C[C@@]1(C(=O)NCCNc2cccc[nH+]2)CCCO1 ZINC000268052888 386612973 /nfs/dbraw/zinc/61/29/73/386612973.db2.gz QIZBZZFZVJCLOM-ZDUSSCGKSA-N 1 2 249.314 1.179 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC=CCC2)[nH]1 ZINC000645000128 386663186 /nfs/dbraw/zinc/66/31/86/386663186.db2.gz UJDXCBUITBORKM-UHFFFAOYSA-N 1 2 220.320 1.864 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC=CCC2)[nH]1 ZINC000645000128 386663190 /nfs/dbraw/zinc/66/31/90/386663190.db2.gz UJDXCBUITBORKM-UHFFFAOYSA-N 1 2 220.320 1.864 20 0 BDADLO CN(Cc1cnn(C)c1)c1[nH]c2ccccc2[nH+]1 ZINC000301886405 386682315 /nfs/dbraw/zinc/68/23/15/386682315.db2.gz OYMCSYAUQXGIEW-UHFFFAOYSA-N 1 2 241.298 1.933 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccn(C)n1 ZINC000335525036 386669167 /nfs/dbraw/zinc/66/91/67/386669167.db2.gz RJPQJQSJBCKYNP-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccn(C)n1 ZINC000335525036 386669169 /nfs/dbraw/zinc/66/91/69/386669169.db2.gz RJPQJQSJBCKYNP-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292445359 386672601 /nfs/dbraw/zinc/67/26/01/386672601.db2.gz OWVMIWXQIWAZOX-QWRGUYRKSA-N 1 2 249.310 1.831 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292445359 386672606 /nfs/dbraw/zinc/67/26/06/386672606.db2.gz OWVMIWXQIWAZOX-QWRGUYRKSA-N 1 2 249.310 1.831 20 0 BDADLO COC(=O)C[N@H+](CCOCC(C)C)C1CC1 ZINC000337248587 386676381 /nfs/dbraw/zinc/67/63/81/386676381.db2.gz KZILQQPHBIVYCG-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@@H+](CCOCC(C)C)C1CC1 ZINC000337248587 386676385 /nfs/dbraw/zinc/67/63/85/386676385.db2.gz KZILQQPHBIVYCG-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO Cn1nccc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000648058381 386678132 /nfs/dbraw/zinc/67/81/32/386678132.db2.gz HIKQTRYCDYERPT-UHFFFAOYSA-N 1 2 229.274 1.897 20 0 BDADLO CC(C)c1nc(C[N@@H+](CCO)C(C)C)no1 ZINC000050103899 386683791 /nfs/dbraw/zinc/68/37/91/386683791.db2.gz NBGXCXLXWNJFQR-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+](CCO)C(C)C)no1 ZINC000050103899 386683796 /nfs/dbraw/zinc/68/37/96/386683796.db2.gz NBGXCXLXWNJFQR-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO Cc1noc(C)c1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000124720176 386684634 /nfs/dbraw/zinc/68/46/34/386684634.db2.gz QULFOOHCNAETSP-QMMMGPOBSA-N 1 2 220.276 1.865 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](C)C(=O)OC(C)C)C(=O)OC ZINC000192853689 386684867 /nfs/dbraw/zinc/68/48/67/386684867.db2.gz VTOKRUSVFYBPHT-NXEZZACHSA-N 1 2 245.319 1.115 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000352836925 386685378 /nfs/dbraw/zinc/68/53/78/386685378.db2.gz XZVRCANUHUJYHX-LBPRGKRZSA-N 1 2 244.298 1.034 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000352836925 386685385 /nfs/dbraw/zinc/68/53/85/386685385.db2.gz XZVRCANUHUJYHX-LBPRGKRZSA-N 1 2 244.298 1.034 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000329491414 386688986 /nfs/dbraw/zinc/68/89/86/386688986.db2.gz ZHIYDHQNHIWTFE-SECBINFHSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOCC3(CC3)C2)o1 ZINC000329491414 386688993 /nfs/dbraw/zinc/68/89/93/386688993.db2.gz ZHIYDHQNHIWTFE-SECBINFHSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC1=CCCC1 ZINC000279499418 386691812 /nfs/dbraw/zinc/69/18/12/386691812.db2.gz QGTRFGAYNIMJSA-UHFFFAOYSA-N 1 2 233.315 1.877 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCC1=CCCC1 ZINC000279499418 386691820 /nfs/dbraw/zinc/69/18/20/386691820.db2.gz QGTRFGAYNIMJSA-UHFFFAOYSA-N 1 2 233.315 1.877 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H](CO)c2ccccc2)[nH]1 ZINC000292594932 386697695 /nfs/dbraw/zinc/69/76/95/386697695.db2.gz VKJBZNAFVGMGJQ-LBPRGKRZSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H](CO)c2ccccc2)[nH]1 ZINC000292594932 386697701 /nfs/dbraw/zinc/69/77/01/386697701.db2.gz VKJBZNAFVGMGJQ-LBPRGKRZSA-N 1 2 246.314 1.279 20 0 BDADLO Cn1ccnc1[C@@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000366693325 386700354 /nfs/dbraw/zinc/70/03/54/386700354.db2.gz GGZINBKGUMJBIT-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1ccnc1[C@@H]1CCC[N@H+]1Cc1ccnn1C ZINC000366693325 386700358 /nfs/dbraw/zinc/70/03/58/386700358.db2.gz GGZINBKGUMJBIT-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1ccnn1C ZINC000366693325 386700367 /nfs/dbraw/zinc/70/03/67/386700367.db2.gz GGZINBKGUMJBIT-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1ccnc1[C@H]1CCC[N@@H+]1Cc1ccnn1C ZINC000366693324 386701504 /nfs/dbraw/zinc/70/15/04/386701504.db2.gz GGZINBKGUMJBIT-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1ccnc1[C@H]1CCC[N@H+]1Cc1ccnn1C ZINC000366693324 386701513 /nfs/dbraw/zinc/70/15/13/386701513.db2.gz GGZINBKGUMJBIT-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1ccnn1C ZINC000366693324 386701530 /nfs/dbraw/zinc/70/15/30/386701530.db2.gz GGZINBKGUMJBIT-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H]1CCSC1 ZINC000414484898 386701568 /nfs/dbraw/zinc/70/15/68/386701568.db2.gz HJKOLGKORZTOGF-NXEZZACHSA-N 1 2 229.345 1.423 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nnc(C(F)F)o1 ZINC000292647871 386703387 /nfs/dbraw/zinc/70/33/87/386703387.db2.gz ZLDFPIGTEHSZMT-ZCFIWIBFSA-N 1 2 243.217 1.704 20 0 BDADLO CCCC(CCC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000191963392 386732525 /nfs/dbraw/zinc/73/25/25/386732525.db2.gz PNUVIPCMPSWADB-GXSJLCMTSA-N 1 2 231.336 1.467 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)CC1(F)CC1 ZINC000526984522 386714349 /nfs/dbraw/zinc/71/43/49/386714349.db2.gz HSQIFJHLJWOKDO-UHFFFAOYSA-N 1 2 212.272 1.139 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)CC1(F)CC1 ZINC000526984522 386714357 /nfs/dbraw/zinc/71/43/57/386714357.db2.gz HSQIFJHLJWOKDO-UHFFFAOYSA-N 1 2 212.272 1.139 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CCOCC1 ZINC000330460066 386718812 /nfs/dbraw/zinc/71/88/12/386718812.db2.gz QOUUTHUGYFYOPV-VIFPVBQESA-N 1 2 237.303 1.089 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CCOCC1 ZINC000330460066 386718815 /nfs/dbraw/zinc/71/88/15/386718815.db2.gz QOUUTHUGYFYOPV-VIFPVBQESA-N 1 2 237.303 1.089 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCOC[C@H]1C ZINC000279685231 386720731 /nfs/dbraw/zinc/72/07/31/386720731.db2.gz QFHJPDHVMGJKOJ-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCOC[C@H]1C ZINC000279685231 386720736 /nfs/dbraw/zinc/72/07/36/386720736.db2.gz QFHJPDHVMGJKOJ-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cocn2)C1 ZINC000414491495 386721400 /nfs/dbraw/zinc/72/14/00/386721400.db2.gz XGZNTVZRDDULIB-ZIAGYGMSSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cocn2)C1 ZINC000414491495 386721405 /nfs/dbraw/zinc/72/14/05/386721405.db2.gz XGZNTVZRDDULIB-ZIAGYGMSSA-N 1 2 244.294 1.983 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H](O)CC2)n1 ZINC000335541812 386722644 /nfs/dbraw/zinc/72/26/44/386722644.db2.gz ZNMSYZPIFPBNNZ-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H](O)CC2)n1 ZINC000335541812 386722647 /nfs/dbraw/zinc/72/26/47/386722647.db2.gz ZNMSYZPIFPBNNZ-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO Cc1cn[nH]c1CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352848544 386724008 /nfs/dbraw/zinc/72/40/08/386724008.db2.gz WHUJENHLFGXQDH-MFKMUULPSA-N 1 2 234.347 1.290 20 0 BDADLO Cc1cn[nH]c1CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352848544 386724011 /nfs/dbraw/zinc/72/40/11/386724011.db2.gz WHUJENHLFGXQDH-MFKMUULPSA-N 1 2 234.347 1.290 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268946199 386724173 /nfs/dbraw/zinc/72/41/73/386724173.db2.gz BIXLHPXCWGLSGT-CHWSQXEVSA-N 1 2 242.326 1.803 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268946199 386724182 /nfs/dbraw/zinc/72/41/82/386724182.db2.gz BIXLHPXCWGLSGT-CHWSQXEVSA-N 1 2 242.326 1.803 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000279708854 386724520 /nfs/dbraw/zinc/72/45/20/386724520.db2.gz ANVQXJLSJOWEOF-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000330468667 386725961 /nfs/dbraw/zinc/72/59/61/386725961.db2.gz KMDAMWLZLWJYIQ-ZETCQYMHSA-N 1 2 213.306 1.168 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000330468667 386725963 /nfs/dbraw/zinc/72/59/63/386725963.db2.gz KMDAMWLZLWJYIQ-ZETCQYMHSA-N 1 2 213.306 1.168 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1cccc(F)n1 ZINC000268965667 386727661 /nfs/dbraw/zinc/72/76/61/386727661.db2.gz MTHHGHOJMPJCMD-UHFFFAOYSA-N 1 2 234.278 1.944 20 0 BDADLO COC(=O)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348529845 386751287 /nfs/dbraw/zinc/75/12/87/386751287.db2.gz FWIXEBWSJHNXRR-GPCCPHFNSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cocn1 ZINC000192299804 386754866 /nfs/dbraw/zinc/75/48/66/386754866.db2.gz BZHLASTVIYBVEG-BDAKNGLRSA-N 1 2 225.292 1.067 20 0 BDADLO CC[N@H+](CCO)[C@@H](C(=O)OC)c1ccsc1 ZINC000279947360 386760566 /nfs/dbraw/zinc/76/05/66/386760566.db2.gz HKHKVDQJQYVUGT-SNVBAGLBSA-N 1 2 243.328 1.276 20 0 BDADLO CC[N@@H+](CCO)[C@@H](C(=O)OC)c1ccsc1 ZINC000279947360 386760572 /nfs/dbraw/zinc/76/05/72/386760572.db2.gz HKHKVDQJQYVUGT-SNVBAGLBSA-N 1 2 243.328 1.276 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2c[nH]cn2)C[C@@H]1C ZINC000280248223 386795276 /nfs/dbraw/zinc/79/52/76/386795276.db2.gz OFNYZTHQEPSLFA-GXSJLCMTSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C[C@@H]1C ZINC000280248223 386795282 /nfs/dbraw/zinc/79/52/82/386795282.db2.gz OFNYZTHQEPSLFA-GXSJLCMTSA-N 1 2 237.303 1.041 20 0 BDADLO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877370 386795407 /nfs/dbraw/zinc/79/54/07/386795407.db2.gz BBBYTTBGPUFVFC-NXEZZACHSA-N 1 2 238.335 1.911 20 0 BDADLO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877370 386795412 /nfs/dbraw/zinc/79/54/12/386795412.db2.gz BBBYTTBGPUFVFC-NXEZZACHSA-N 1 2 238.335 1.911 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1nnc(C)o1 ZINC000330524409 386775808 /nfs/dbraw/zinc/77/58/08/386775808.db2.gz JYHNVRLTKSLJCU-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1nnc(C)o1 ZINC000330524409 386775813 /nfs/dbraw/zinc/77/58/13/386775813.db2.gz JYHNVRLTKSLJCU-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CCn1cncc1C[N@H+](C)Cc1cccnc1 ZINC000417978437 386778871 /nfs/dbraw/zinc/77/88/71/386778871.db2.gz GKTMDBVEMGVIMN-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1cncc1C[N@@H+](C)Cc1cccnc1 ZINC000417978437 386778878 /nfs/dbraw/zinc/77/88/78/386778878.db2.gz GKTMDBVEMGVIMN-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cccnc1 ZINC000417978437 386778882 /nfs/dbraw/zinc/77/88/82/386778882.db2.gz GKTMDBVEMGVIMN-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000344867316 386783084 /nfs/dbraw/zinc/78/30/84/386783084.db2.gz RVSJEIOBJAYFGD-UWVGGRQHSA-N 1 2 227.279 1.747 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000344867316 386783087 /nfs/dbraw/zinc/78/30/87/386783087.db2.gz RVSJEIOBJAYFGD-UWVGGRQHSA-N 1 2 227.279 1.747 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCC(N)=O)s1 ZINC000330610371 386786399 /nfs/dbraw/zinc/78/63/99/386786399.db2.gz NKUNHANQXIYYDH-LURJTMIESA-N 1 2 228.321 1.765 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCC(N)=O)s1 ZINC000330610371 386786410 /nfs/dbraw/zinc/78/64/10/386786410.db2.gz NKUNHANQXIYYDH-LURJTMIESA-N 1 2 228.321 1.765 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000293209642 386786882 /nfs/dbraw/zinc/78/68/82/386786882.db2.gz PIBQMYUKGABJFR-BDAKNGLRSA-N 1 2 228.723 1.899 20 0 BDADLO C[C@@H](O)C[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000293209642 386786891 /nfs/dbraw/zinc/78/68/91/386786891.db2.gz PIBQMYUKGABJFR-BDAKNGLRSA-N 1 2 228.723 1.899 20 0 BDADLO C[C@H]([NH2+]CCn1ccnc1)c1csnn1 ZINC000398378968 386819136 /nfs/dbraw/zinc/81/91/36/386819136.db2.gz SDOXKRNSYTXASZ-QMMMGPOBSA-N 1 2 223.305 1.085 20 0 BDADLO Cc1cc(N2CCC[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000450882710 386799768 /nfs/dbraw/zinc/79/97/68/386799768.db2.gz OIKKYBLTNGDJJN-CYBMUJFWSA-N 1 2 233.315 1.792 20 0 BDADLO COc1cc(C)[nH+]c(Cn2c(C)cncc2=O)c1 ZINC000330583688 386800408 /nfs/dbraw/zinc/80/04/08/386800408.db2.gz SVVMZOPORDFQLG-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340895633 386800394 /nfs/dbraw/zinc/80/03/94/386800394.db2.gz VBLCHFYRKRZAMR-YPMHNXCESA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340895633 386800400 /nfs/dbraw/zinc/80/04/00/386800400.db2.gz VBLCHFYRKRZAMR-YPMHNXCESA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)c2noc(C)n2)CCCO1 ZINC000329790957 386805689 /nfs/dbraw/zinc/80/56/89/386805689.db2.gz UGUKEMQNNLASSI-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)c2noc(C)n2)CCCO1 ZINC000329790957 386805697 /nfs/dbraw/zinc/80/56/97/386805697.db2.gz UGUKEMQNNLASSI-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1coc(C)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000339936099 386808243 /nfs/dbraw/zinc/80/82/43/386808243.db2.gz HVSNNYIZEMMNHQ-UHFFFAOYSA-N 1 2 233.271 1.592 20 0 BDADLO Cc1cnc(C[NH2+][C@H](CO)c2ccccc2)n1C ZINC000341000634 386814443 /nfs/dbraw/zinc/81/44/43/386814443.db2.gz AKKCXKYLABGRMC-CYBMUJFWSA-N 1 2 245.326 1.552 20 0 BDADLO Cc1c[nH+]c(CN[C@H](CO)c2ccccc2)n1C ZINC000341000634 386814448 /nfs/dbraw/zinc/81/44/48/386814448.db2.gz AKKCXKYLABGRMC-CYBMUJFWSA-N 1 2 245.326 1.552 20 0 BDADLO CCC[C@@]1(CO)CCN(c2cc(C)[nH+]cn2)C1 ZINC000341048952 386829131 /nfs/dbraw/zinc/82/91/31/386829131.db2.gz NLJBSTZBSUVLAY-CYBMUJFWSA-N 1 2 235.331 1.774 20 0 BDADLO CC(C)c1nc(NC[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000450913656 386833498 /nfs/dbraw/zinc/83/34/98/386833498.db2.gz KLIJGANQMCQHOH-WDEREUQCSA-N 1 2 235.331 1.595 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000330182586 386833977 /nfs/dbraw/zinc/83/39/77/386833977.db2.gz PBGRPYNDNALQTR-AOOOYVTPSA-N 1 2 247.298 1.065 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000249591771 386840921 /nfs/dbraw/zinc/84/09/21/386840921.db2.gz PFGIXNZITLFHQO-BDAKNGLRSA-N 1 2 244.385 1.614 20 0 BDADLO C[C@@H](O)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000249591771 386840923 /nfs/dbraw/zinc/84/09/23/386840923.db2.gz PFGIXNZITLFHQO-BDAKNGLRSA-N 1 2 244.385 1.614 20 0 BDADLO Cc1nc(CNc2cc[nH+]c(C(C)C)n2)no1 ZINC000301392944 386841271 /nfs/dbraw/zinc/84/12/71/386841271.db2.gz ITHUZQWIRCXMSZ-UHFFFAOYSA-N 1 2 233.275 1.904 20 0 BDADLO NCC(F)(F)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414937080 386843719 /nfs/dbraw/zinc/84/37/19/386843719.db2.gz WIYRISLMZNHICS-AEJSXWLSSA-N 1 2 246.301 1.128 20 0 BDADLO COC(=O)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301490350 386847412 /nfs/dbraw/zinc/84/74/12/386847412.db2.gz APRJTJMAEANXKJ-UHFFFAOYSA-N 1 2 237.303 1.749 20 0 BDADLO CC(C)c1nc(N2CC[C@](C)(O)C2)cc[nH+]1 ZINC000301476630 386848971 /nfs/dbraw/zinc/84/89/71/386848971.db2.gz BGYCRSDXOOZPSG-LBPRGKRZSA-N 1 2 221.304 1.561 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1cc[nH+]c(C2CC2)n1 ZINC000301546361 386853039 /nfs/dbraw/zinc/85/30/39/386853039.db2.gz PFDYGNDKLQAYLN-LLVKDONJSA-N 1 2 233.315 1.561 20 0 BDADLO COCCN1C(=O)C2(CC2)[NH2+][C@]12CC[C@H](C)C2 ZINC000334844499 386892139 /nfs/dbraw/zinc/89/21/39/386892139.db2.gz SSNKHMYBTZAVIQ-GXFFZTMASA-N 1 2 238.331 1.114 20 0 BDADLO c1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000349613510 386892905 /nfs/dbraw/zinc/89/29/05/386892905.db2.gz RVOXLSGYSWKKHK-UHFFFAOYSA-N 1 2 243.314 1.373 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC000293650988 386854727 /nfs/dbraw/zinc/85/47/27/386854727.db2.gz SLUDRWTUKYFYPV-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000293650988 386854732 /nfs/dbraw/zinc/85/47/32/386854732.db2.gz SLUDRWTUKYFYPV-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccccc1 ZINC000334791645 386855560 /nfs/dbraw/zinc/85/55/60/386855560.db2.gz YOUVGPBQNIPQFL-RYUDHWBXSA-N 1 2 248.351 1.815 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccccc1 ZINC000334791645 386855566 /nfs/dbraw/zinc/85/55/66/386855566.db2.gz YOUVGPBQNIPQFL-RYUDHWBXSA-N 1 2 248.351 1.815 20 0 BDADLO CN(C)c1nccc(C[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000341187909 386860806 /nfs/dbraw/zinc/86/08/06/386860806.db2.gz PMZMBENWGBUUKG-GFCCVEGCSA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1nccc(C[N@H+]2CC[C@@](C)(F)C2)n1 ZINC000341187909 386860813 /nfs/dbraw/zinc/86/08/13/386860813.db2.gz PMZMBENWGBUUKG-GFCCVEGCSA-N 1 2 238.310 1.477 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2ccccc2)C1 ZINC000425348718 386864043 /nfs/dbraw/zinc/86/40/43/386864043.db2.gz OVGYDDYRNWXTQU-UHFFFAOYSA-N 1 2 232.327 1.741 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2ccccc2)C1 ZINC000425348718 386864049 /nfs/dbraw/zinc/86/40/49/386864049.db2.gz OVGYDDYRNWXTQU-UHFFFAOYSA-N 1 2 232.327 1.741 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(O)(C(F)F)C1 ZINC000425349391 386865085 /nfs/dbraw/zinc/86/50/85/386865085.db2.gz QGVZNZAKBPYOPC-UHFFFAOYSA-N 1 2 245.273 1.276 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@](C)(F)C1 ZINC000335745219 386865668 /nfs/dbraw/zinc/86/56/68/386865668.db2.gz SILVIPUKUKOALL-ONGXEEELSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CC[C@](C)(F)C1 ZINC000335745219 386865672 /nfs/dbraw/zinc/86/56/72/386865672.db2.gz SILVIPUKUKOALL-ONGXEEELSA-N 1 2 209.268 1.972 20 0 BDADLO Cc1nc(N(C)C[C@H](O)C2CC2)c(C)c(C)[nH+]1 ZINC000301673446 386866300 /nfs/dbraw/zinc/86/63/00/386866300.db2.gz PCSXCTQNZXJRKQ-LBPRGKRZSA-N 1 2 235.331 1.609 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccoc1C(=O)OC ZINC000293717519 386867273 /nfs/dbraw/zinc/86/72/73/386867273.db2.gz YGHHNBMTUCBJGI-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccoc1C(=O)OC ZINC000293717519 386867278 /nfs/dbraw/zinc/86/72/78/386867278.db2.gz YGHHNBMTUCBJGI-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO FC1(F)CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000334831416 386869298 /nfs/dbraw/zinc/86/92/98/386869298.db2.gz SFCRDXFBSMCUET-SECBINFHSA-N 1 2 205.248 1.754 20 0 BDADLO FC1(F)CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000334831416 386869304 /nfs/dbraw/zinc/86/93/04/386869304.db2.gz SFCRDXFBSMCUET-SECBINFHSA-N 1 2 205.248 1.754 20 0 BDADLO O=c1[nH]nc(CNc2cc[nH+]c3ccsc32)[nH]1 ZINC000301789709 386877393 /nfs/dbraw/zinc/87/73/93/386877393.db2.gz QUWJUMQIVFKOQI-UHFFFAOYSA-N 1 2 247.283 1.320 20 0 BDADLO C[C@@H]1OCCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335752607 386878694 /nfs/dbraw/zinc/87/86/94/386878694.db2.gz QYADHISDKKGNCA-QWRGUYRKSA-N 1 2 249.314 1.040 20 0 BDADLO C[C@H](O)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000301838225 386881610 /nfs/dbraw/zinc/88/16/10/386881610.db2.gz YRMPQZMJQQAVTA-QMMMGPOBSA-N 1 2 232.287 1.395 20 0 BDADLO Cc1noc(OCc2c(C)[nH+]c3ccccn32)n1 ZINC000358059206 386885034 /nfs/dbraw/zinc/88/50/34/386885034.db2.gz DBHFJXJKQRLZSY-UHFFFAOYSA-N 1 2 244.254 1.913 20 0 BDADLO CC(C)(O)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334843171 386890469 /nfs/dbraw/zinc/89/04/69/386890469.db2.gz CIPTXBFCQBDYOW-UHFFFAOYSA-N 1 2 237.303 1.319 20 0 BDADLO CO[C@]1(C)C[C@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331744515 386890497 /nfs/dbraw/zinc/89/04/97/386890497.db2.gz BZPAXVSWIDBXNK-JOYOIKCWSA-N 1 2 239.319 1.671 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1[nH]c2ccccc2[nH+]1 ZINC000301921180 386890703 /nfs/dbraw/zinc/89/07/03/386890703.db2.gz XIQQMNMNTYLOSA-GFCCVEGCSA-N 1 2 231.299 1.770 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnoc1C ZINC000335770245 386915166 /nfs/dbraw/zinc/91/51/66/386915166.db2.gz KERUZLICHQMGKS-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnoc1C ZINC000335770245 386915170 /nfs/dbraw/zinc/91/51/70/386915170.db2.gz KERUZLICHQMGKS-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000336762318 386915493 /nfs/dbraw/zinc/91/54/93/386915493.db2.gz NSAQXMOHHOXXOE-HTQZYQBOSA-N 1 2 213.281 1.454 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1cncc(F)c1 ZINC000334862622 386917868 /nfs/dbraw/zinc/91/78/68/386917868.db2.gz PHPQOJAFXVUWCF-UHFFFAOYSA-N 1 2 235.222 1.266 20 0 BDADLO Cc1noc(CN2CCC(n3cc[nH+]c3)CC2)n1 ZINC000331862541 386919575 /nfs/dbraw/zinc/91/95/75/386919575.db2.gz CQCLLUHNDXSVJQ-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(N(C)[C@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000302076621 386901867 /nfs/dbraw/zinc/90/18/67/386901867.db2.gz YJRWQIVCARCUHG-SECBINFHSA-N 1 2 231.303 1.716 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@H]2CCCCO2)no1 ZINC000330860199 386903410 /nfs/dbraw/zinc/90/34/10/386903410.db2.gz PFTKWQBAQSCXFC-LLVKDONJSA-N 1 2 239.319 1.769 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@H]2CCCCO2)no1 ZINC000330860199 386903415 /nfs/dbraw/zinc/90/34/15/386903415.db2.gz PFTKWQBAQSCXFC-LLVKDONJSA-N 1 2 239.319 1.769 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335765005 386905946 /nfs/dbraw/zinc/90/59/46/386905946.db2.gz JULMVSCOLWUEFY-RKDXNWHRSA-N 1 2 239.344 1.066 20 0 BDADLO C[C@]1(C(=O)NCCNc2cccc[nH+]2)CCOC1 ZINC000330883298 386908316 /nfs/dbraw/zinc/90/83/16/386908316.db2.gz JNEMALYMHGJJLD-ZDUSSCGKSA-N 1 2 249.314 1.036 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CF)C2)o1 ZINC000334861039 386912592 /nfs/dbraw/zinc/91/25/92/386912592.db2.gz APFGWGKMZUTMJD-LLVKDONJSA-N 1 2 213.252 1.758 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CF)C2)o1 ZINC000334861039 386912596 /nfs/dbraw/zinc/91/25/96/386912596.db2.gz APFGWGKMZUTMJD-LLVKDONJSA-N 1 2 213.252 1.758 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@H]1C1CCCCC1 ZINC000334860784 386912843 /nfs/dbraw/zinc/91/28/43/386912843.db2.gz GAWIPBTZYFXUMI-GFCCVEGCSA-N 1 2 210.321 1.735 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@H]1C1CCCCC1 ZINC000334860784 386912847 /nfs/dbraw/zinc/91/28/47/386912847.db2.gz GAWIPBTZYFXUMI-GFCCVEGCSA-N 1 2 210.321 1.735 20 0 BDADLO Cc1noc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000331875381 386920297 /nfs/dbraw/zinc/92/02/97/386920297.db2.gz FORZLBGCHHWEDV-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](F)C2)C1 ZINC000334818591 386947278 /nfs/dbraw/zinc/94/72/78/386947278.db2.gz NCVXHHANEQAOTO-QWRGUYRKSA-N 1 2 228.311 1.289 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456404099 386921327 /nfs/dbraw/zinc/92/13/27/386921327.db2.gz WXUZBKYWYICFID-XWLWVQCSSA-N 1 2 249.314 1.430 20 0 BDADLO COc1nccc(C[NH2+]Cc2ccc(C)o2)n1 ZINC000395140867 386947279 /nfs/dbraw/zinc/94/72/79/386947279.db2.gz YHCPBKPWLIUEKS-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](F)C2)C1 ZINC000334818591 386947280 /nfs/dbraw/zinc/94/72/80/386947280.db2.gz NCVXHHANEQAOTO-QWRGUYRKSA-N 1 2 228.311 1.289 20 0 BDADLO COC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000335775593 386925790 /nfs/dbraw/zinc/92/57/90/386925790.db2.gz ATTXMDLJSRUNQF-NXEZZACHSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000335775593 386925794 /nfs/dbraw/zinc/92/57/94/386925794.db2.gz ATTXMDLJSRUNQF-NXEZZACHSA-N 1 2 227.304 1.191 20 0 BDADLO O=C(OCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000368012466 386929198 /nfs/dbraw/zinc/92/91/98/386929198.db2.gz SOPYJHWNOYRLOO-UHFFFAOYSA-N 1 2 221.260 1.245 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)COC)c1[nH]cc[nH+]1 ZINC000330958644 386930700 /nfs/dbraw/zinc/93/07/00/386930700.db2.gz AMHLXWASDCPQFW-DTWKUNHWSA-N 1 2 225.292 1.260 20 0 BDADLO CCc1noc(C)c1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000334872520 386932071 /nfs/dbraw/zinc/93/20/71/386932071.db2.gz PVTIKYDEAGRARA-SNVBAGLBSA-N 1 2 237.303 1.578 20 0 BDADLO CCc1noc(C)c1NC(=O)[C@H]1CCC[N@H+]1C ZINC000334872520 386932073 /nfs/dbraw/zinc/93/20/73/386932073.db2.gz PVTIKYDEAGRARA-SNVBAGLBSA-N 1 2 237.303 1.578 20 0 BDADLO COC(=O)C1([NH2+]CCC2(O)CCC2)CCCC1 ZINC000331984861 386934502 /nfs/dbraw/zinc/93/45/02/386934502.db2.gz NTHXIHMDNBYRMJ-UHFFFAOYSA-N 1 2 241.331 1.367 20 0 BDADLO CC(C)c1nc(N2CCCNC(=O)[C@@H]2C)cc[nH+]1 ZINC000302759199 386935801 /nfs/dbraw/zinc/93/58/01/386935801.db2.gz JSHMLKBVGPTVGF-JTQLQIEISA-N 1 2 248.330 1.315 20 0 BDADLO CN(CCCCO)c1nc(N)c2ccccc2[nH+]1 ZINC000302789000 386936394 /nfs/dbraw/zinc/93/63/94/386936394.db2.gz XPXDFJPRZGIWRI-UHFFFAOYSA-N 1 2 246.314 1.421 20 0 BDADLO CC[C@H](NC(=O)C1CC(C)(O)C1)c1[nH]cc[nH+]1 ZINC000331992460 386936715 /nfs/dbraw/zinc/93/67/15/386936715.db2.gz OXGHQKPQPBALGC-XEVUQIKYSA-N 1 2 237.303 1.138 20 0 BDADLO CS[C@H](C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000358418678 386953035 /nfs/dbraw/zinc/95/30/35/386953035.db2.gz UAPLNBDRPHOYBV-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO C[N@H+](Cc1cscn1)[C@@H]1CCCOC1 ZINC000334888741 386959882 /nfs/dbraw/zinc/95/98/82/386959882.db2.gz PWJXBVLKOZHDET-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO C[N@@H+](Cc1cscn1)[C@@H]1CCCOC1 ZINC000334888741 386959887 /nfs/dbraw/zinc/95/98/87/386959887.db2.gz PWJXBVLKOZHDET-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO O=C(CC[N@@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000368327743 386960140 /nfs/dbraw/zinc/96/01/40/386960140.db2.gz GZDLGEWLPCRNRS-OCCSQVGLSA-N 1 2 231.295 1.733 20 0 BDADLO O=C(CC[N@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000368327743 386960141 /nfs/dbraw/zinc/96/01/41/386960141.db2.gz GZDLGEWLPCRNRS-OCCSQVGLSA-N 1 2 231.295 1.733 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2ncccc2C1 ZINC000368322026 386960177 /nfs/dbraw/zinc/96/01/77/386960177.db2.gz RKVHTXOHCAUVSA-SNVBAGLBSA-N 1 2 245.326 1.107 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2ncccc2C1 ZINC000368322026 386960181 /nfs/dbraw/zinc/96/01/81/386960181.db2.gz RKVHTXOHCAUVSA-SNVBAGLBSA-N 1 2 245.326 1.107 20 0 BDADLO COC[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332389508 386973475 /nfs/dbraw/zinc/97/34/75/386973475.db2.gz HPZBSQLSBYAXPU-UWVGGRQHSA-N 1 2 237.303 1.356 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000368487566 386978793 /nfs/dbraw/zinc/97/87/93/386978793.db2.gz KIRAGASTFZABGN-NSHDSACASA-N 1 2 235.283 1.143 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)s1 ZINC000358748540 387008180 /nfs/dbraw/zinc/00/81/80/387008180.db2.gz WIIMJBSEKOCOMI-APPZFPTMSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)s1 ZINC000358748540 387008185 /nfs/dbraw/zinc/00/81/85/387008185.db2.gz WIIMJBSEKOCOMI-APPZFPTMSA-N 1 2 227.333 1.049 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000331130815 386983424 /nfs/dbraw/zinc/98/34/24/386983424.db2.gz GPFUBUBVCZUVEG-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnc(C)cn1 ZINC000331130815 386983427 /nfs/dbraw/zinc/98/34/27/386983427.db2.gz GPFUBUBVCZUVEG-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000304417429 386984047 /nfs/dbraw/zinc/98/40/47/386984047.db2.gz DOVLJHLEYKHUEX-GWCFXTLKSA-N 1 2 243.347 1.326 20 0 BDADLO Cc1nc(C[N@H+](C)CCCCCF)no1 ZINC000341911349 386991308 /nfs/dbraw/zinc/99/13/08/386991308.db2.gz NJNKEEJEZHMQFA-UHFFFAOYSA-N 1 2 215.272 1.950 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCCCF)no1 ZINC000341911349 386991312 /nfs/dbraw/zinc/99/13/12/386991312.db2.gz NJNKEEJEZHMQFA-UHFFFAOYSA-N 1 2 215.272 1.950 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000052927681 386991706 /nfs/dbraw/zinc/99/17/06/386991706.db2.gz HSPGSSOSABANMQ-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCCc1noc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000052927681 386991712 /nfs/dbraw/zinc/99/17/12/386991712.db2.gz HSPGSSOSABANMQ-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO C[C@H](O)CCSc1[nH+]cnc2c1cnn2C ZINC000331275603 386994470 /nfs/dbraw/zinc/99/44/70/386994470.db2.gz XHMZYFGMRKWEMK-ZETCQYMHSA-N 1 2 238.316 1.226 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCC[C@H]1C(N)=O ZINC000332633259 386994443 /nfs/dbraw/zinc/99/44/43/386994443.db2.gz HODJWVYUYPNASC-JTQLQIEISA-N 1 2 236.319 1.964 20 0 BDADLO CCCCNc1cc(N(C)CCC)nc(N)[nH+]1 ZINC000341933318 386997416 /nfs/dbraw/zinc/99/74/16/386997416.db2.gz OBCUGBLBNAIRFT-UHFFFAOYSA-N 1 2 237.351 1.947 20 0 BDADLO CCCCNc1cc(N(C)CCC)[nH+]c(N)n1 ZINC000341933318 386997420 /nfs/dbraw/zinc/99/74/20/386997420.db2.gz OBCUGBLBNAIRFT-UHFFFAOYSA-N 1 2 237.351 1.947 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](c2cc(C)n[nH]2)C1 ZINC000368695082 387005482 /nfs/dbraw/zinc/00/54/82/387005482.db2.gz RDQTYZYQXXJNMS-JTQLQIEISA-N 1 2 237.303 1.071 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](c2cc(C)n[nH]2)C1 ZINC000368695082 387005487 /nfs/dbraw/zinc/00/54/87/387005487.db2.gz RDQTYZYQXXJNMS-JTQLQIEISA-N 1 2 237.303 1.071 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000368695082 387005489 /nfs/dbraw/zinc/00/54/89/387005489.db2.gz RDQTYZYQXXJNMS-JTQLQIEISA-N 1 2 237.303 1.071 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000368695082 387005494 /nfs/dbraw/zinc/00/54/94/387005494.db2.gz RDQTYZYQXXJNMS-JTQLQIEISA-N 1 2 237.303 1.071 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000332734355 387005995 /nfs/dbraw/zinc/00/59/95/387005995.db2.gz VJOLOLISZSEIRF-IUCAKERBSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000332734355 387006003 /nfs/dbraw/zinc/00/60/03/387006003.db2.gz VJOLOLISZSEIRF-IUCAKERBSA-N 1 2 225.292 1.446 20 0 BDADLO Cn1cc(C[NH2+]C2(c3ccccc3)CC2)nn1 ZINC000341643664 386948916 /nfs/dbraw/zinc/94/89/16/386948916.db2.gz WUYYRLDKLUTXTL-UHFFFAOYSA-N 1 2 228.299 1.594 20 0 BDADLO CC(C)C(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000525892146 386950958 /nfs/dbraw/zinc/95/09/58/386950958.db2.gz AFLCFCSSVRKTEQ-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO c1nnc([C@@H]2CCN(c3cccc[nH+]3)C2)[nH]1 ZINC000333374068 387031315 /nfs/dbraw/zinc/03/13/15/387031315.db2.gz AMEBCUAKIDEOLQ-SECBINFHSA-N 1 2 215.260 1.194 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000126466251 387035822 /nfs/dbraw/zinc/03/58/22/387035822.db2.gz JJLCFZHWDQDWTR-SECBINFHSA-N 1 2 249.314 1.599 20 0 BDADLO CC[C@H](COC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494506 387066485 /nfs/dbraw/zinc/06/64/85/387066485.db2.gz URWDGNSIRMXMJL-VHSXEESVSA-N 1 2 231.336 1.731 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000639363571 387043679 /nfs/dbraw/zinc/04/36/79/387043679.db2.gz RBEWVSHOGNSIMG-UWVGGRQHSA-N 1 2 223.320 1.983 20 0 BDADLO Cc1nnc(N[C@H]2C[C@H](C)n3cc[nH+]c32)nc1C ZINC000333730175 387052113 /nfs/dbraw/zinc/05/21/13/387052113.db2.gz TWLSIMMOOIEIIM-XVKPBYJWSA-N 1 2 244.302 1.803 20 0 BDADLO CONC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369563575 387054667 /nfs/dbraw/zinc/05/46/67/387054667.db2.gz CGIZFICXWIKHKC-MRVPVSSYSA-N 1 2 237.303 1.316 20 0 BDADLO CONC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369563575 387054678 /nfs/dbraw/zinc/05/46/78/387054678.db2.gz CGIZFICXWIKHKC-MRVPVSSYSA-N 1 2 237.303 1.316 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC2(C)C)c2[nH+]ccn21 ZINC000333833692 387058856 /nfs/dbraw/zinc/05/88/56/387058856.db2.gz LYYACIWNMQDGCQ-UTLUCORTSA-N 1 2 248.330 1.987 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@]23CCOC3)n1 ZINC000341963367 387010319 /nfs/dbraw/zinc/01/03/19/387010319.db2.gz HGXLOAQTLVJHQK-LLVKDONJSA-N 1 2 223.276 1.133 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@]23CCOC3)n1 ZINC000341963367 387010326 /nfs/dbraw/zinc/01/03/26/387010326.db2.gz HGXLOAQTLVJHQK-LLVKDONJSA-N 1 2 223.276 1.133 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333084788 387016436 /nfs/dbraw/zinc/01/64/36/387016436.db2.gz YANLIKNNWISFQK-NSHDSACASA-N 1 2 249.314 1.152 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333084788 387016438 /nfs/dbraw/zinc/01/64/38/387016438.db2.gz YANLIKNNWISFQK-NSHDSACASA-N 1 2 249.314 1.152 20 0 BDADLO COc1ncncc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000648021836 387017569 /nfs/dbraw/zinc/01/75/69/387017569.db2.gz NDNHTRRDKZOLRD-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ncncc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000648021836 387017574 /nfs/dbraw/zinc/01/75/74/387017574.db2.gz NDNHTRRDKZOLRD-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO CCC[C@@](C)([NH2+]CCCC(=O)OC)C(=O)OC ZINC000117340937 387017916 /nfs/dbraw/zinc/01/79/16/387017916.db2.gz HEGLCZOQKRCGIA-GFCCVEGCSA-N 1 2 245.319 1.261 20 0 BDADLO CN(C)c1[nH+]cc(CN2CCC[C@H]2CF)n1C ZINC000425369167 387026839 /nfs/dbraw/zinc/02/68/39/387026839.db2.gz LLBMWZFEDJIVAR-JTQLQIEISA-N 1 2 240.326 1.420 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ncc(C)s2)C1 ZINC000425370220 387027912 /nfs/dbraw/zinc/02/79/12/387027912.db2.gz CDJFYEGHUYCTOR-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO COC1CN(Cc2c[nH+]cn2C(C)C)C1 ZINC000425370184 387028098 /nfs/dbraw/zinc/02/80/98/387028098.db2.gz NQNMBLIRZJWAJL-UHFFFAOYSA-N 1 2 209.293 1.295 20 0 BDADLO O=C1C[N@H+](Cc2cccc(C3CC3)c2)CCN1 ZINC000334983936 387071290 /nfs/dbraw/zinc/07/12/90/387071290.db2.gz DPGCIIFNFMPTRM-UHFFFAOYSA-N 1 2 230.311 1.496 20 0 BDADLO O=C1C[N@@H+](Cc2cccc(C3CC3)c2)CCN1 ZINC000334983936 387071295 /nfs/dbraw/zinc/07/12/95/387071295.db2.gz DPGCIIFNFMPTRM-UHFFFAOYSA-N 1 2 230.311 1.496 20 0 BDADLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(N)=O ZINC000114725165 387074229 /nfs/dbraw/zinc/07/42/29/387074229.db2.gz NMJIZJKZMMTGMM-JTQLQIEISA-N 1 2 236.315 1.391 20 0 BDADLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(N)=O ZINC000114725165 387074230 /nfs/dbraw/zinc/07/42/30/387074230.db2.gz NMJIZJKZMMTGMM-JTQLQIEISA-N 1 2 236.315 1.391 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H](C)O1 ZINC000066472021 387084477 /nfs/dbraw/zinc/08/44/77/387084477.db2.gz ZNHYGOMBPZMADJ-PHIMTYICSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H](C)O1 ZINC000066472021 387084483 /nfs/dbraw/zinc/08/44/83/387084483.db2.gz ZNHYGOMBPZMADJ-PHIMTYICSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]([NH2+]CC(=O)NC1CC1)c1nccs1 ZINC000070732880 387091156 /nfs/dbraw/zinc/09/11/56/387091156.db2.gz PWTGZLIYXJZTHC-VIFPVBQESA-N 1 2 239.344 1.462 20 0 BDADLO Cc1nnc(C[NH+]2CCC(CF)CC2)[nH]1 ZINC000336261500 387094374 /nfs/dbraw/zinc/09/43/74/387094374.db2.gz FTXIHHSCQYJLBE-UHFFFAOYSA-N 1 2 212.272 1.295 20 0 BDADLO Cc1cc(C)c(CN2C(=O)N[C@H](C)C2=O)c[nH+]1 ZINC000335006800 387101385 /nfs/dbraw/zinc/10/13/85/387101385.db2.gz UMTKRORNCODKMM-SECBINFHSA-N 1 2 233.271 1.139 20 0 BDADLO CC(C)c1nccc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000359456439 387103860 /nfs/dbraw/zinc/10/38/60/387103860.db2.gz ZYGYXLMYPAWIBK-NSHDSACASA-N 1 2 245.330 1.719 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478011 387105472 /nfs/dbraw/zinc/10/54/72/387105472.db2.gz JSOPJFANZCJSRI-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478011 387105476 /nfs/dbraw/zinc/10/54/76/387105476.db2.gz JSOPJFANZCJSRI-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)n(C)n1 ZINC000334948091 387109921 /nfs/dbraw/zinc/10/99/21/387109921.db2.gz MROPXVHATVWYKP-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)n(C)n1 ZINC000334948091 387109929 /nfs/dbraw/zinc/10/99/29/387109929.db2.gz MROPXVHATVWYKP-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cn1cc[nH+]c1CNc1ccnc2ccncc21 ZINC000359488124 387110007 /nfs/dbraw/zinc/11/00/07/387110007.db2.gz NHLJQGBCXGMNRB-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO Cn1ccnc1CNc1cc[nH+]c2ccncc12 ZINC000359488124 387110009 /nfs/dbraw/zinc/11/00/09/387110009.db2.gz NHLJQGBCXGMNRB-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000336279706 387111027 /nfs/dbraw/zinc/11/10/27/387111027.db2.gz NULWTQWFOGVFLS-GFCCVEGCSA-N 1 2 227.254 1.996 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000336279706 387111034 /nfs/dbraw/zinc/11/10/34/387111034.db2.gz NULWTQWFOGVFLS-GFCCVEGCSA-N 1 2 227.254 1.996 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@H](C2CC2)C1 ZINC000336281435 387115705 /nfs/dbraw/zinc/11/57/05/387115705.db2.gz CPFLUFAMDMEWKY-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO c1snnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186615802 387116840 /nfs/dbraw/zinc/11/68/40/387116840.db2.gz BRMGZEIPPINXND-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO c1snnc1C[N@H+]1CCCC2(CC2)C1 ZINC000186615802 387116842 /nfs/dbraw/zinc/11/68/42/387116842.db2.gz BRMGZEIPPINXND-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO CC(C)C[C@@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000193402128 387119058 /nfs/dbraw/zinc/11/90/58/387119058.db2.gz MCAHMAXUBORPKK-JTQLQIEISA-N 1 2 223.324 1.078 20 0 BDADLO CC(C)C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193402128 387119067 /nfs/dbraw/zinc/11/90/67/387119067.db2.gz MCAHMAXUBORPKK-JTQLQIEISA-N 1 2 223.324 1.078 20 0 BDADLO Cc1nc(C2CCN(Cc3[nH]cc[nH+]3)CC2)no1 ZINC000072357394 387125381 /nfs/dbraw/zinc/12/53/81/387125381.db2.gz UGQFDMOBDUKVTA-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)no1 ZINC000072357394 387125386 /nfs/dbraw/zinc/12/53/86/387125386.db2.gz UGQFDMOBDUKVTA-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[C@@H]1F ZINC000334980467 387067668 /nfs/dbraw/zinc/06/76/68/387067668.db2.gz LQYMIVOEEDFQDN-GXSJLCMTSA-N 1 2 237.278 1.824 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)NCc2[nH+]ccn2C)C1 ZINC000334981042 387067868 /nfs/dbraw/zinc/06/78/68/387067868.db2.gz CWDGXOSCLQMDMV-ZJUUUORDSA-N 1 2 236.319 1.360 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353171588 387147747 /nfs/dbraw/zinc/14/77/47/387147747.db2.gz LYMUNXJIIWETMY-SNVBAGLBSA-N 1 2 229.274 1.921 20 0 BDADLO Cc1cnn(CC[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353171588 387147753 /nfs/dbraw/zinc/14/77/53/387147753.db2.gz LYMUNXJIIWETMY-SNVBAGLBSA-N 1 2 229.274 1.921 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@@H]2C)n1C1CC1 ZINC000336331514 387157974 /nfs/dbraw/zinc/15/79/74/387157974.db2.gz HMYNVBVNQIQCPW-IUCAKERBSA-N 1 2 220.320 1.762 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1C1CC1 ZINC000336331514 387157978 /nfs/dbraw/zinc/15/79/78/387157978.db2.gz HMYNVBVNQIQCPW-IUCAKERBSA-N 1 2 220.320 1.762 20 0 BDADLO CCC[C@@]1(CO)CC[N@H+](CC(F)F)C1 ZINC000367356777 387158261 /nfs/dbraw/zinc/15/82/61/387158261.db2.gz PWYFCBNXQIJSBS-SNVBAGLBSA-N 1 2 207.264 1.736 20 0 BDADLO CCC[C@@]1(CO)CC[N@@H+](CC(F)F)C1 ZINC000367356777 387158264 /nfs/dbraw/zinc/15/82/64/387158264.db2.gz PWYFCBNXQIJSBS-SNVBAGLBSA-N 1 2 207.264 1.736 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000336332598 387158746 /nfs/dbraw/zinc/15/87/46/387158746.db2.gz PQFUFPSSDASESB-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOCC2(CC2)C1 ZINC000336332598 387158751 /nfs/dbraw/zinc/15/87/51/387158751.db2.gz PQFUFPSSDASESB-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C)s1 ZINC000353249807 387163067 /nfs/dbraw/zinc/16/30/67/387163067.db2.gz ASTSGXIBGSWZLM-SSDOTTSWSA-N 1 2 215.322 1.313 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000353249807 387163072 /nfs/dbraw/zinc/16/30/72/387163072.db2.gz ASTSGXIBGSWZLM-SSDOTTSWSA-N 1 2 215.322 1.313 20 0 BDADLO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccno1 ZINC000336336612 387163644 /nfs/dbraw/zinc/16/36/44/387163644.db2.gz YIFSNVDETKLUNI-GFCCVEGCSA-N 1 2 223.320 1.447 20 0 BDADLO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccno1 ZINC000336336612 387163646 /nfs/dbraw/zinc/16/36/46/387163646.db2.gz YIFSNVDETKLUNI-GFCCVEGCSA-N 1 2 223.320 1.447 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCC[C@@H](F)C1 ZINC000424587278 387193265 /nfs/dbraw/zinc/19/32/65/387193265.db2.gz TZDVQKCEIOKLON-WDEREUQCSA-N 1 2 239.294 1.528 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1(C)CC1 ZINC000336352560 387182875 /nfs/dbraw/zinc/18/28/75/387182875.db2.gz QOTBRTHIWAABRE-UHFFFAOYSA-N 1 2 219.288 1.734 20 0 BDADLO C[C@@H](NCC(F)(F)C[NH3+])[C@@H]1CC1(C)C ZINC000423337138 387185017 /nfs/dbraw/zinc/18/50/17/387185017.db2.gz HJAKXVQSYMLLTI-SFYZADRCSA-N 1 2 206.280 1.605 20 0 BDADLO Cc1nc(NCc2ncccc2O)c(C)c(C)[nH+]1 ZINC000359896447 387186492 /nfs/dbraw/zinc/18/64/92/387186492.db2.gz GVLGIIRMHRKRTO-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO C[C@H](NCC(F)(F)C[NH3+])[C@H]1CC1(C)C ZINC000423337136 387186677 /nfs/dbraw/zinc/18/66/77/387186677.db2.gz HJAKXVQSYMLLTI-JGVFFNPUSA-N 1 2 206.280 1.605 20 0 BDADLO COC(=O)C[NH2+]C(C)(C)c1ccccc1C ZINC000292834978 387188828 /nfs/dbraw/zinc/18/88/28/387188828.db2.gz AVSBZSRUESIJCE-UHFFFAOYSA-N 1 2 221.300 1.993 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOC(C)(C)C2)n1C ZINC000370668587 387135141 /nfs/dbraw/zinc/13/51/41/387135141.db2.gz XGPQDIQOEYFNMV-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOC(C)(C)C2)n1C ZINC000370668587 387135147 /nfs/dbraw/zinc/13/51/47/387135147.db2.gz XGPQDIQOEYFNMV-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO c1cn(C[C@H]2CCCC[N@@H+]2Cc2ccon2)nn1 ZINC000370695461 387136466 /nfs/dbraw/zinc/13/64/66/387136466.db2.gz AQYVHLNYWUJETP-GFCCVEGCSA-N 1 2 247.302 1.321 20 0 BDADLO c1cn(C[C@H]2CCCC[N@H+]2Cc2ccon2)nn1 ZINC000370695461 387136472 /nfs/dbraw/zinc/13/64/72/387136472.db2.gz AQYVHLNYWUJETP-GFCCVEGCSA-N 1 2 247.302 1.321 20 0 BDADLO C[C@]12C[C@H]1CCC[C@H]2NCC(F)(F)C[NH3+] ZINC000423342512 387192106 /nfs/dbraw/zinc/19/21/06/387192106.db2.gz LBRTZGZCBFZDSL-BBBLOLIVSA-N 1 2 218.291 1.749 20 0 BDADLO CC[N@H+](CC=C(C)C)Cc1cn(C)nn1 ZINC000359630103 387138332 /nfs/dbraw/zinc/13/83/32/387138332.db2.gz DDESMCXJWLBXHG-UHFFFAOYSA-N 1 2 208.309 1.603 20 0 BDADLO CC[N@@H+](CC=C(C)C)Cc1cn(C)nn1 ZINC000359630103 387138338 /nfs/dbraw/zinc/13/83/38/387138338.db2.gz DDESMCXJWLBXHG-UHFFFAOYSA-N 1 2 208.309 1.603 20 0 BDADLO C[C@H](F)CCNc1nc[nH+]c(N)c1Cl ZINC000306469578 387202795 /nfs/dbraw/zinc/20/27/95/387202795.db2.gz PNZGZMZROLALRD-YFKPBYRVSA-N 1 2 218.663 1.872 20 0 BDADLO C[C@H](F)CCNc1[nH+]cnc(N)c1Cl ZINC000306469578 387202803 /nfs/dbraw/zinc/20/28/03/387202803.db2.gz PNZGZMZROLALRD-YFKPBYRVSA-N 1 2 218.663 1.872 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCc3ccccc32)n1 ZINC000090969322 387204881 /nfs/dbraw/zinc/20/48/81/387204881.db2.gz OGWZZPSJEQKWMI-GFCCVEGCSA-N 1 2 228.299 1.592 20 0 BDADLO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344887 387210186 /nfs/dbraw/zinc/21/01/86/387210186.db2.gz OYKTVZBEHWGFCJ-NXEZZACHSA-N 1 2 237.351 1.609 20 0 BDADLO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344887 387210191 /nfs/dbraw/zinc/21/01/91/387210191.db2.gz OYKTVZBEHWGFCJ-NXEZZACHSA-N 1 2 237.351 1.609 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)cs1)C1CC(O)C1 ZINC000353484908 387211320 /nfs/dbraw/zinc/21/13/20/387211320.db2.gz KVXIHJAAYKQHTG-UHFFFAOYSA-N 1 2 238.356 1.976 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)cs1)C1CC(O)C1 ZINC000353484908 387211326 /nfs/dbraw/zinc/21/13/26/387211326.db2.gz KVXIHJAAYKQHTG-UHFFFAOYSA-N 1 2 238.356 1.976 20 0 BDADLO O=C(C1=COCCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371439757 387213853 /nfs/dbraw/zinc/21/38/53/387213853.db2.gz MQOAWSDXFVFVFQ-LLVKDONJSA-N 1 2 247.298 1.768 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1ccon1 ZINC000371506426 387226335 /nfs/dbraw/zinc/22/63/35/387226335.db2.gz RGKGYBXWHBYVIV-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC[C@H]1CCOC1 ZINC000230042051 387229482 /nfs/dbraw/zinc/22/94/82/387229482.db2.gz LKRBOLKAEBFUBX-VIFPVBQESA-N 1 2 247.302 1.202 20 0 BDADLO C[C@H](O)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292877868 387231544 /nfs/dbraw/zinc/23/15/44/387231544.db2.gz XSQAQJPQXJYTTM-WPRPVWTQSA-N 1 2 215.243 1.963 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000360139680 387231917 /nfs/dbraw/zinc/23/19/17/387231917.db2.gz DVPUPCWILBPVLD-VHSXEESVSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc[nH]n1 ZINC000353579017 387232401 /nfs/dbraw/zinc/23/24/01/387232401.db2.gz WHNSZGXCQAECBQ-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353579017 387232408 /nfs/dbraw/zinc/23/24/08/387232408.db2.gz WHNSZGXCQAECBQ-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO COC[C@@H](Nc1cc(C)[nH+]cn1)[C@@H]1CCCO1 ZINC000572098330 387233586 /nfs/dbraw/zinc/23/35/86/387233586.db2.gz YWHMXBNJRITJPC-MNOVXSKESA-N 1 2 237.303 1.391 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1(CO)CC1 ZINC000120385214 387235252 /nfs/dbraw/zinc/23/52/52/387235252.db2.gz UBDUKXXRHFHYOZ-UHFFFAOYSA-N 1 2 221.260 1.036 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCN(C(=O)C2CC2)C1 ZINC000514953500 387313739 /nfs/dbraw/zinc/31/37/39/387313739.db2.gz XSTNTXCBHGDFNU-UHFFFAOYSA-N 1 2 246.314 1.110 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1ncccc1F ZINC000336437833 387262813 /nfs/dbraw/zinc/26/28/13/387262813.db2.gz LUCHIBVYJOYCBW-UHFFFAOYSA-N 1 2 220.251 1.591 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1cccc(C(N)=O)c1 ZINC000353810487 387279583 /nfs/dbraw/zinc/27/95/83/387279583.db2.gz WAGVKYQEYZISQO-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1cccc(C(N)=O)c1 ZINC000353810487 387279587 /nfs/dbraw/zinc/27/95/87/387279587.db2.gz WAGVKYQEYZISQO-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)c[nH+]1 ZINC000372164785 387280299 /nfs/dbraw/zinc/28/02/99/387280299.db2.gz NLOWTIFFAIBZCF-WZRBSPASSA-N 1 2 246.310 1.626 20 0 BDADLO Cc1cscc1C(=O)Nc1cc[nH+]cc1O ZINC000336454442 387282902 /nfs/dbraw/zinc/28/29/02/387282902.db2.gz FGZNCEUMWSMZGT-UHFFFAOYSA-N 1 2 234.280 1.831 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccccn3)[C@@H]12 ZINC000372335823 387289692 /nfs/dbraw/zinc/28/96/92/387289692.db2.gz APRJYDJMBXHUOD-CMPLNLGQSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccccn3)[C@@H]12 ZINC000372335823 387289696 /nfs/dbraw/zinc/28/96/96/387289696.db2.gz APRJYDJMBXHUOD-CMPLNLGQSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccccn3)[C@H]12 ZINC000372335824 387291016 /nfs/dbraw/zinc/29/10/16/387291016.db2.gz APRJYDJMBXHUOD-JQWIXIFHSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccccn3)[C@H]12 ZINC000372335824 387291024 /nfs/dbraw/zinc/29/10/24/387291024.db2.gz APRJYDJMBXHUOD-JQWIXIFHSA-N 1 2 232.283 1.219 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CC23CC3)cc[nH+]1 ZINC000514848743 387294481 /nfs/dbraw/zinc/29/44/81/387294481.db2.gz MAUODMPGHNWFPA-SNVBAGLBSA-N 1 2 231.299 1.734 20 0 BDADLO C[C@H]1OCC[C@@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000372359541 387296464 /nfs/dbraw/zinc/29/64/64/387296464.db2.gz VNSYAVDPXARGNL-MNOVXSKESA-N 1 2 244.298 1.279 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(C)C ZINC000191717073 387309312 /nfs/dbraw/zinc/30/93/12/387309312.db2.gz HNXQZIGVEXDRIL-LPEHRKFASA-N 1 2 217.309 1.197 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648592402 387363919 /nfs/dbraw/zinc/36/39/19/387363919.db2.gz BDWVOKODOGIUQB-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648592402 387363924 /nfs/dbraw/zinc/36/39/24/387363924.db2.gz BDWVOKODOGIUQB-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO COC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354431592 387373992 /nfs/dbraw/zinc/37/39/92/387373992.db2.gz RSUCRULNSIUQLD-LBPRGKRZSA-N 1 2 235.331 1.875 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336553295 387374132 /nfs/dbraw/zinc/37/41/32/387374132.db2.gz GYAVZJGNLJBSPY-LBPRGKRZSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000336553295 387374134 /nfs/dbraw/zinc/37/41/34/387374134.db2.gz GYAVZJGNLJBSPY-LBPRGKRZSA-N 1 2 228.299 1.762 20 0 BDADLO CCc1nc(C)cc(N2CCCCN2)[nH+]1 ZINC000400665828 387376078 /nfs/dbraw/zinc/37/60/78/387376078.db2.gz QPKQGNCLFXDSNC-UHFFFAOYSA-N 1 2 206.293 1.452 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000515387080 387376710 /nfs/dbraw/zinc/37/67/10/387376710.db2.gz YZTVDRFIBAYVKO-SNVBAGLBSA-N 1 2 249.343 1.907 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000515387080 387376714 /nfs/dbraw/zinc/37/67/14/387376714.db2.gz YZTVDRFIBAYVKO-SNVBAGLBSA-N 1 2 249.343 1.907 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cccc(O)c1 ZINC000287160587 387378738 /nfs/dbraw/zinc/37/87/38/387378738.db2.gz TZHRDLDTZDJPJI-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cc[nH]n2)cn1 ZINC000360982583 387380362 /nfs/dbraw/zinc/38/03/62/387380362.db2.gz IPCOGOHSVJSJBG-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cn1 ZINC000360982583 387380366 /nfs/dbraw/zinc/38/03/66/387380366.db2.gz IPCOGOHSVJSJBG-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1C1CC1 ZINC000373531837 387380914 /nfs/dbraw/zinc/38/09/14/387380914.db2.gz DXSLZNZWHDERBT-LBPRGKRZSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1C1CC1 ZINC000373531837 387380921 /nfs/dbraw/zinc/38/09/21/387380921.db2.gz DXSLZNZWHDERBT-LBPRGKRZSA-N 1 2 233.315 1.743 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1cnc2cnccn12 ZINC000162144372 387321133 /nfs/dbraw/zinc/32/11/33/387321133.db2.gz KCWVAKTXTRLRQQ-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1cnc2cnccn12 ZINC000162144372 387321139 /nfs/dbraw/zinc/32/11/39/387321139.db2.gz KCWVAKTXTRLRQQ-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC(c2cnccn2)CC1 ZINC000372696424 387322879 /nfs/dbraw/zinc/32/28/79/387322879.db2.gz UFABYXLWPQLZRA-SNVBAGLBSA-N 1 2 249.314 1.218 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000372727848 387323419 /nfs/dbraw/zinc/32/34/19/387323419.db2.gz QLJXVZWMNOTXMW-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000360664292 387330038 /nfs/dbraw/zinc/33/00/38/387330038.db2.gz OOGCDWZOJUJZBE-TVQRCGJNSA-N 1 2 234.299 1.830 20 0 BDADLO CCONC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372931385 387336075 /nfs/dbraw/zinc/33/60/75/387336075.db2.gz XXHXZFLYAHCSJY-SECBINFHSA-N 1 2 238.291 1.250 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)[C@H]1C ZINC000336511533 387336230 /nfs/dbraw/zinc/33/62/30/387336230.db2.gz ADTDUXXBCYYJNM-ZJUUUORDSA-N 1 2 220.320 1.455 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)[C@H]1C ZINC000336511533 387336236 /nfs/dbraw/zinc/33/62/36/387336236.db2.gz ADTDUXXBCYYJNM-ZJUUUORDSA-N 1 2 220.320 1.455 20 0 BDADLO CCCCOCC[N@@H+]1CCNC(=O)C1(C)C ZINC000114898168 387337752 /nfs/dbraw/zinc/33/77/52/387337752.db2.gz VGDSWYLDCFWRGT-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCOCC[N@H+]1CCNC(=O)C1(C)C ZINC000114898168 387337756 /nfs/dbraw/zinc/33/77/56/387337756.db2.gz VGDSWYLDCFWRGT-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CN(Cc1ccon1)Cc1cn2c([nH+]1)CCCC2 ZINC000372988653 387338649 /nfs/dbraw/zinc/33/86/49/387338649.db2.gz FHLMICQBKFLTEW-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO C[C@@H](CC[NH3+])NC(=O)c1cc(F)c(O)c(F)c1 ZINC000423500173 387340936 /nfs/dbraw/zinc/34/09/36/387340936.db2.gz CVIHJMXZHVWZPK-LURJTMIESA-N 1 2 244.241 1.138 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CC12CCOCC2)C1CC1 ZINC000395715991 387344242 /nfs/dbraw/zinc/34/42/42/387344242.db2.gz AKMWLCBBKDRDME-MNOVXSKESA-N 1 2 239.315 1.097 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccsc2)n1 ZINC000290085683 387349597 /nfs/dbraw/zinc/34/95/97/387349597.db2.gz JFTXSCDZCCUSJR-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000303381914 387349759 /nfs/dbraw/zinc/34/97/59/387349759.db2.gz SEOYOPGGZKPXBD-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)o1 ZINC000303381914 387349765 /nfs/dbraw/zinc/34/97/65/387349765.db2.gz SEOYOPGGZKPXBD-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO Cc1ccc(NC(=O)c2cncnc2)c(C)[nH+]1 ZINC000354758195 387426710 /nfs/dbraw/zinc/42/67/10/387426710.db2.gz FZVINQOXTRVHKV-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)co1 ZINC000336591400 387433035 /nfs/dbraw/zinc/43/30/35/387433035.db2.gz KWAVNXBXXBEIDM-SNVBAGLBSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)co1 ZINC000336591400 387433037 /nfs/dbraw/zinc/43/30/37/387433037.db2.gz KWAVNXBXXBEIDM-SNVBAGLBSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCn1cccn1 ZINC000122036595 387461734 /nfs/dbraw/zinc/46/17/34/387461734.db2.gz PYNOHFGGCFCJET-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO CCCc1noc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000374355268 387445888 /nfs/dbraw/zinc/44/58/88/387445888.db2.gz FPPUPDJOHVOTFM-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1noc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000374355268 387445893 /nfs/dbraw/zinc/44/58/93/387445893.db2.gz FPPUPDJOHVOTFM-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374388533 387448971 /nfs/dbraw/zinc/44/89/71/387448971.db2.gz SJDXNUJRCSIZRZ-GMTAPVOTSA-N 1 2 233.315 1.392 20 0 BDADLO C[C@@H]1N(Cc2[nH+]ccn2C)CCOC1(C)C ZINC000336612345 387455311 /nfs/dbraw/zinc/45/53/11/387455311.db2.gz BPUUYIKXIRSUHO-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1[N@H+](Cc2nccn2C)CCOC1(C)C ZINC000336612345 387455312 /nfs/dbraw/zinc/45/53/12/387455312.db2.gz BPUUYIKXIRSUHO-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1[N@@H+](Cc2nccn2C)CCOC1(C)C ZINC000336612345 387455314 /nfs/dbraw/zinc/45/53/14/387455314.db2.gz BPUUYIKXIRSUHO-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO COCc1nc(C[N@H+](C)C[C@H](C)O)cs1 ZINC000361011804 387388399 /nfs/dbraw/zinc/38/83/99/387388399.db2.gz VPWUDAQGXWYOAB-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1nc(C[N@@H+](C)C[C@H](C)O)cs1 ZINC000361011804 387388402 /nfs/dbraw/zinc/38/84/02/387388402.db2.gz VPWUDAQGXWYOAB-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO Cc1cnc(N(C)Cc2[nH]cc[nH+]2)s1 ZINC000336563922 387389649 /nfs/dbraw/zinc/38/96/49/387389649.db2.gz ZOBUJOZQGPBIEW-UHFFFAOYSA-N 1 2 208.290 1.811 20 0 BDADLO C[C@@H](CF)Nc1[nH+]cnc2c1cnn2C ZINC000287299678 387398195 /nfs/dbraw/zinc/39/81/95/387398195.db2.gz SUINCZSDXNHEAG-LURJTMIESA-N 1 2 209.228 1.133 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000423692333 387399345 /nfs/dbraw/zinc/39/93/45/387399345.db2.gz FYZUDMGRXRGHSC-UWVGGRQHSA-N 1 2 248.317 1.784 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000516129064 387460558 /nfs/dbraw/zinc/46/05/58/387460558.db2.gz ZBDVNRJTZSMDEU-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000516129064 387460561 /nfs/dbraw/zinc/46/05/61/387460561.db2.gz ZBDVNRJTZSMDEU-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccoc1)C2 ZINC000373991895 387408211 /nfs/dbraw/zinc/40/82/11/387408211.db2.gz IXQZCYQNVWHWLP-LLVKDONJSA-N 1 2 245.282 1.529 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423757389 387411454 /nfs/dbraw/zinc/41/14/54/387411454.db2.gz DCSCUQWNYCSVMR-WCBMZHEXSA-N 1 2 241.360 1.694 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C/C=C\c1ccncc1 ZINC000361183130 387412430 /nfs/dbraw/zinc/41/24/30/387412430.db2.gz ODULNDINGINJSW-WYGGZMRJSA-N 1 2 234.299 1.588 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C/C=C\c1ccncc1 ZINC000361183130 387412432 /nfs/dbraw/zinc/41/24/32/387412432.db2.gz ODULNDINGINJSW-WYGGZMRJSA-N 1 2 234.299 1.588 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C/C=C/c1ccncc1 ZINC000361183129 387412828 /nfs/dbraw/zinc/41/28/28/387412828.db2.gz ODULNDINGINJSW-SGUJLRQBSA-N 1 2 234.299 1.588 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C/C=C/c1ccncc1 ZINC000361183129 387412830 /nfs/dbraw/zinc/41/28/30/387412830.db2.gz ODULNDINGINJSW-SGUJLRQBSA-N 1 2 234.299 1.588 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C/C=C/c1ccncc1 ZINC000361183131 387412846 /nfs/dbraw/zinc/41/28/46/387412846.db2.gz ODULNDINGINJSW-ZWNMCFTASA-N 1 2 234.299 1.588 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C/C=C/c1ccncc1 ZINC000361183131 387412848 /nfs/dbraw/zinc/41/28/48/387412848.db2.gz ODULNDINGINJSW-ZWNMCFTASA-N 1 2 234.299 1.588 20 0 BDADLO c1c(CN2C[C@H]3CC[C@@H](C2)O3)[nH+]c2ccccn12 ZINC000374103305 387422641 /nfs/dbraw/zinc/42/26/41/387422641.db2.gz AFWNPHSSDBVONF-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H]2C2CC2)no1 ZINC000374840971 387494204 /nfs/dbraw/zinc/49/42/04/387494204.db2.gz YKMHIUNICAKIJS-SNVBAGLBSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H]2C2CC2)no1 ZINC000374840971 387494207 /nfs/dbraw/zinc/49/42/07/387494207.db2.gz YKMHIUNICAKIJS-SNVBAGLBSA-N 1 2 237.303 1.590 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000572459174 387500681 /nfs/dbraw/zinc/50/06/81/387500681.db2.gz QVHRZZZHQLHKLY-IUCAKERBSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000572459174 387500688 /nfs/dbraw/zinc/50/06/88/387500688.db2.gz QVHRZZZHQLHKLY-IUCAKERBSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000421923329 387504934 /nfs/dbraw/zinc/50/49/34/387504934.db2.gz VGCKNMMOKVYKIP-MNOVXSKESA-N 1 2 235.331 1.608 20 0 BDADLO CC[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000421922728 387505443 /nfs/dbraw/zinc/50/54/43/387505443.db2.gz UNPNYWNFLCLUIK-UWVGGRQHSA-N 1 2 235.331 1.992 20 0 BDADLO CC[C@H](C)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000421922728 387505448 /nfs/dbraw/zinc/50/54/48/387505448.db2.gz UNPNYWNFLCLUIK-UWVGGRQHSA-N 1 2 235.331 1.992 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOC(C)(C)C ZINC000361627842 387513879 /nfs/dbraw/zinc/51/38/79/387513879.db2.gz FYJMXPCDNXDHMQ-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000361627842 387513881 /nfs/dbraw/zinc/51/38/81/387513881.db2.gz FYJMXPCDNXDHMQ-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000104384642 387514412 /nfs/dbraw/zinc/51/44/12/387514412.db2.gz HBHLCUHWRWGSKV-JTQLQIEISA-N 1 2 244.294 1.886 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000361658298 387517503 /nfs/dbraw/zinc/51/75/03/387517503.db2.gz FIMWWUOBCBYGHN-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000361658298 387517508 /nfs/dbraw/zinc/51/75/08/387517508.db2.gz FIMWWUOBCBYGHN-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CC1(C)C ZINC000397639517 387520291 /nfs/dbraw/zinc/52/02/91/387520291.db2.gz XFTOZAXKSPFWLX-JGVFFNPUSA-N 1 2 224.308 1.425 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000355335268 387521278 /nfs/dbraw/zinc/52/12/78/387521278.db2.gz BDHNIXFUMHNAIE-SDDRHHMPSA-N 1 2 240.347 1.105 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000355335268 387521282 /nfs/dbraw/zinc/52/12/82/387521282.db2.gz BDHNIXFUMHNAIE-SDDRHHMPSA-N 1 2 240.347 1.105 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(C)ccc1OC ZINC000355356050 387522654 /nfs/dbraw/zinc/52/26/54/387522654.db2.gz PZPGKWLSSXJLRJ-UHFFFAOYSA-N 1 2 236.315 1.311 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(C)ccc1OC ZINC000355356050 387522659 /nfs/dbraw/zinc/52/26/59/387522659.db2.gz PZPGKWLSSXJLRJ-UHFFFAOYSA-N 1 2 236.315 1.311 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2ncc[nH]2)C[C@@H]1C ZINC000355354777 387523519 /nfs/dbraw/zinc/52/35/19/387523519.db2.gz LYOSXBXVXTZXGF-UWVGGRQHSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@@H]1C ZINC000355354777 387523523 /nfs/dbraw/zinc/52/35/23/387523523.db2.gz LYOSXBXVXTZXGF-UWVGGRQHSA-N 1 2 237.303 1.041 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375303870 387524886 /nfs/dbraw/zinc/52/48/86/387524886.db2.gz QCPRIBPOKRJITJ-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375303870 387524890 /nfs/dbraw/zinc/52/48/90/387524890.db2.gz QCPRIBPOKRJITJ-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1cncc(F)c1 ZINC000361764872 387532005 /nfs/dbraw/zinc/53/20/05/387532005.db2.gz JDRYYSOYACNZBB-SECBINFHSA-N 1 2 232.262 1.862 20 0 BDADLO CC(C)[C@H]([NH2+]C[C@@H](C)O)C(=O)OC(C)(C)C ZINC000192797751 387534867 /nfs/dbraw/zinc/53/48/67/387534867.db2.gz AEGDOPPQGXOJDJ-ZJUUUORDSA-N 1 2 231.336 1.323 20 0 BDADLO COC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375387709 387537242 /nfs/dbraw/zinc/53/72/42/387537242.db2.gz BAFSJEHUXPQBLR-CMPLNLGQSA-N 1 2 246.314 1.519 20 0 BDADLO C[C@@H](O)CCN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000361813738 387538938 /nfs/dbraw/zinc/53/89/38/387538938.db2.gz MQRFBQAPLLPYPV-LLVKDONJSA-N 1 2 246.314 1.474 20 0 BDADLO CCc1[nH]ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000352742008 387464099 /nfs/dbraw/zinc/46/40/99/387464099.db2.gz KUWXQJCKQLXFSW-UHFFFAOYSA-N 1 2 232.287 1.273 20 0 BDADLO CCc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cn1 ZINC000352738007 387465364 /nfs/dbraw/zinc/46/53/64/387465364.db2.gz LIQFTKNIKDODFK-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000355051352 387469590 /nfs/dbraw/zinc/46/95/90/387469590.db2.gz NFFDUKTYCSBUJP-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nncn2CC)cn1 ZINC000352770700 387469682 /nfs/dbraw/zinc/46/96/82/387469682.db2.gz LHCQGWNHEQWSAC-UHFFFAOYSA-N 1 2 245.330 1.545 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361515930 387476291 /nfs/dbraw/zinc/47/62/91/387476291.db2.gz MOHMGLQGOBBRRJ-OLZOCXBDSA-N 1 2 247.294 1.455 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361515930 387476296 /nfs/dbraw/zinc/47/62/96/387476296.db2.gz MOHMGLQGOBBRRJ-OLZOCXBDSA-N 1 2 247.294 1.455 20 0 BDADLO COC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(=O)OC ZINC000355098466 387480639 /nfs/dbraw/zinc/48/06/39/387480639.db2.gz OVLQBUQPJLQGHB-UTUOFQBUSA-N 1 2 243.347 1.590 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cccnc1)CC2 ZINC000374702304 387482414 /nfs/dbraw/zinc/48/24/14/387482414.db2.gz RPRPHMGJNWXUAQ-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cccnc1)CC2 ZINC000374702304 387482419 /nfs/dbraw/zinc/48/24/19/387482419.db2.gz RPRPHMGJNWXUAQ-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CC1CC1)CC2 ZINC000374693542 387482610 /nfs/dbraw/zinc/48/26/10/387482610.db2.gz LFYRCOPLHKCLRQ-UHFFFAOYSA-N 1 2 219.288 1.334 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cccnc1)CC2 ZINC000374698587 387482936 /nfs/dbraw/zinc/48/29/36/387482936.db2.gz QXCKRTXFPKROER-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC(C)(C)C1 ZINC000336630529 387483445 /nfs/dbraw/zinc/48/34/45/387483445.db2.gz ZPPJDHBURXPJSG-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC(C)(C)C1 ZINC000336630529 387483448 /nfs/dbraw/zinc/48/34/48/387483448.db2.gz ZPPJDHBURXPJSG-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COC1(C[N@H+](C)Cc2nnc[nH]2)CCCCC1 ZINC000361549524 387483759 /nfs/dbraw/zinc/48/37/59/387483759.db2.gz AGPDQWLDUGPKFV-UHFFFAOYSA-N 1 2 238.335 1.586 20 0 BDADLO COC1(C[N@@H+](C)Cc2nnc[nH]2)CCCCC1 ZINC000361549524 387483760 /nfs/dbraw/zinc/48/37/60/387483760.db2.gz AGPDQWLDUGPKFV-UHFFFAOYSA-N 1 2 238.335 1.586 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cccn1C)CC2 ZINC000374714397 387485529 /nfs/dbraw/zinc/48/55/29/387485529.db2.gz MHWCLUAEKAPUCY-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000421916124 387486978 /nfs/dbraw/zinc/48/69/78/387486978.db2.gz NRDIOQHCSGMDRP-GHMZBOCLSA-N 1 2 235.331 1.608 20 0 BDADLO CC[N@H+](C[C@@H](C)OC)[C@@H](C)c1noc(C)n1 ZINC000361566186 387491866 /nfs/dbraw/zinc/49/18/66/387491866.db2.gz SHKWXWXGQXDSSQ-BDAKNGLRSA-N 1 2 227.308 1.796 20 0 BDADLO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)c1noc(C)n1 ZINC000361566186 387491871 /nfs/dbraw/zinc/49/18/71/387491871.db2.gz SHKWXWXGQXDSSQ-BDAKNGLRSA-N 1 2 227.308 1.796 20 0 BDADLO CC[C@H](NC(=O)c1ccncc1C)c1[nH]cc[nH+]1 ZINC000336788475 387582349 /nfs/dbraw/zinc/58/23/49/387582349.db2.gz PJFWRBGQXAGIGQ-NSHDSACASA-N 1 2 244.298 1.994 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C2CCC2)[nH]1 ZINC000428219509 387592660 /nfs/dbraw/zinc/59/26/60/387592660.db2.gz YLTQXLGRIIOADA-UHFFFAOYSA-N 1 2 208.309 1.912 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C2CCC2)[nH]1 ZINC000428219509 387592667 /nfs/dbraw/zinc/59/26/67/387592667.db2.gz YLTQXLGRIIOADA-UHFFFAOYSA-N 1 2 208.309 1.912 20 0 BDADLO O=C(CCCC(F)(F)F)NCCc1[nH]cc[nH+]1 ZINC000356019131 387606320 /nfs/dbraw/zinc/60/63/20/387606320.db2.gz FUSQOVMHWNVUDF-UHFFFAOYSA-N 1 2 249.236 1.801 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@]23CCOC3)ccn1 ZINC000527540811 387611816 /nfs/dbraw/zinc/61/18/16/387611816.db2.gz UVZQHOZTKUEJHG-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@]23CCOC3)ccn1 ZINC000527540811 387611818 /nfs/dbraw/zinc/61/18/18/387611818.db2.gz UVZQHOZTKUEJHG-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO CC12CC(C1)CN2C(=O)CCCn1cc[nH+]c1 ZINC000527531866 387621449 /nfs/dbraw/zinc/62/14/49/387621449.db2.gz BYXODIPNPZXMEJ-UHFFFAOYSA-N 1 2 233.315 1.674 20 0 BDADLO CC(C)c1nc(N2CC(C)C2)nc(N(C)C)[nH+]1 ZINC000430513563 387621766 /nfs/dbraw/zinc/62/17/66/387621766.db2.gz GKHZRXRAKOHFJF-UHFFFAOYSA-N 1 2 235.335 1.517 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2CC(C)C2)[nH+]1 ZINC000430513563 387621771 /nfs/dbraw/zinc/62/17/71/387621771.db2.gz GKHZRXRAKOHFJF-UHFFFAOYSA-N 1 2 235.335 1.517 20 0 BDADLO CC[N@H+](CCCO)Cc1ncnn1C(C)C ZINC000124651848 387624628 /nfs/dbraw/zinc/62/46/28/387624628.db2.gz HKILVJDSGDFNKI-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO CC[N@@H+](CCCO)Cc1ncnn1C(C)C ZINC000124651848 387624634 /nfs/dbraw/zinc/62/46/34/387624634.db2.gz HKILVJDSGDFNKI-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C)CCC1 ZINC000426167589 387546333 /nfs/dbraw/zinc/54/63/33/387546333.db2.gz LTBJDYJIGXWJIZ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1ccc(CN(CCO)Cc2[nH+]ccn2C)o1 ZINC000355646854 387561566 /nfs/dbraw/zinc/56/15/66/387561566.db2.gz GUXAKSWUZPLUSN-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO CSC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000426393642 387563601 /nfs/dbraw/zinc/56/36/01/387563601.db2.gz GOAXXNHZWFCDJE-UHFFFAOYSA-N 1 2 239.344 1.654 20 0 BDADLO CCOC1(C)CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000399639422 387564368 /nfs/dbraw/zinc/56/43/68/387564368.db2.gz YYZXAOZSXOEXJK-UHFFFAOYSA-N 1 2 242.710 1.327 20 0 BDADLO CC[C@@H](CO)[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000355666717 387565445 /nfs/dbraw/zinc/56/54/45/387565445.db2.gz DHMUPXHSIILAIQ-QMMMGPOBSA-N 1 2 237.278 1.317 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nn1C ZINC000362564157 387629882 /nfs/dbraw/zinc/62/98/82/387629882.db2.gz HYZBSEFANHSCNP-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)nn1C ZINC000362564157 387629884 /nfs/dbraw/zinc/62/98/84/387629884.db2.gz HYZBSEFANHSCNP-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H](C)C2CCC2)no1 ZINC000356254841 387633692 /nfs/dbraw/zinc/63/36/92/387633692.db2.gz MNBYGXSNONUYSM-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H](C)C2CCC2)no1 ZINC000356254841 387633696 /nfs/dbraw/zinc/63/36/96/387633696.db2.gz MNBYGXSNONUYSM-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+](C)CC(C)C)no1 ZINC000356247111 387634452 /nfs/dbraw/zinc/63/44/52/387634452.db2.gz WJCPQVSQGNCKQS-UHFFFAOYSA-N 1 2 213.281 1.304 20 0 BDADLO COCc1nc(C[N@@H+](C)CC(C)C)no1 ZINC000356247111 387634454 /nfs/dbraw/zinc/63/44/54/387634454.db2.gz WJCPQVSQGNCKQS-UHFFFAOYSA-N 1 2 213.281 1.304 20 0 BDADLO COCc1nc(C[N@@H+]2CCCCC[C@H]2C)no1 ZINC000356263497 387635090 /nfs/dbraw/zinc/63/50/90/387635090.db2.gz ZAVFACZNDLHJJS-SNVBAGLBSA-N 1 2 239.319 1.981 20 0 BDADLO COCc1nc(C[N@H+]2CCCCC[C@H]2C)no1 ZINC000356263497 387635092 /nfs/dbraw/zinc/63/50/92/387635092.db2.gz ZAVFACZNDLHJJS-SNVBAGLBSA-N 1 2 239.319 1.981 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCOCC1 ZINC000376477004 387638113 /nfs/dbraw/zinc/63/81/13/387638113.db2.gz KJBZBOQOUVSSOG-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCOCC1 ZINC000376477004 387638117 /nfs/dbraw/zinc/63/81/17/387638117.db2.gz KJBZBOQOUVSSOG-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO CCCCOCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356349651 387648080 /nfs/dbraw/zinc/64/80/80/387648080.db2.gz PYYQLXLAMWZIJJ-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCOCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356349651 387648083 /nfs/dbraw/zinc/64/80/83/387648083.db2.gz PYYQLXLAMWZIJJ-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO C[C@@H]1[C@H](C(=O)NCCCn2cc[nH+]c2)[C@H]1C1CC1 ZINC000527644234 387652383 /nfs/dbraw/zinc/65/23/83/387652383.db2.gz OBZQJTYHNQAAPC-UHTWSYAYSA-N 1 2 247.342 1.682 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(SC)s1 ZINC000356403282 387653578 /nfs/dbraw/zinc/65/35/78/387653578.db2.gz HVCIFFJWAISATG-UHFFFAOYSA-N 1 2 244.385 1.777 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(SC)s1 ZINC000356403282 387653581 /nfs/dbraw/zinc/65/35/81/387653581.db2.gz HVCIFFJWAISATG-UHFFFAOYSA-N 1 2 244.385 1.777 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC(C2CCCC2)C1 ZINC000376596475 387655025 /nfs/dbraw/zinc/65/50/25/387655025.db2.gz VNEHDASUOFZJJN-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO CSC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000356520239 387669124 /nfs/dbraw/zinc/66/91/24/387669124.db2.gz NKSOJERFWSUFIT-UHFFFAOYSA-N 1 2 225.317 1.264 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000356545169 387672266 /nfs/dbraw/zinc/67/22/66/387672266.db2.gz GDXVLOKTGOIJDI-BDAKNGLRSA-N 1 2 222.288 1.830 20 0 BDADLO CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422778155 387674167 /nfs/dbraw/zinc/67/41/67/387674167.db2.gz AGUDNOYIECXZDK-CMPLNLGQSA-N 1 2 249.314 1.494 20 0 BDADLO O=C(c1nccs1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000377056635 387688694 /nfs/dbraw/zinc/68/86/94/387688694.db2.gz LUULOLJBDNDSFA-MRVPVSSYSA-N 1 2 248.311 1.844 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000440783118 387696657 /nfs/dbraw/zinc/69/66/57/387696657.db2.gz LWZQCRDCLOYXAA-LLVKDONJSA-N 1 2 240.326 1.290 20 0 BDADLO Cc1cc(NCc2ccc3c(c2)COC3)nc[nH+]1 ZINC000432035669 387746224 /nfs/dbraw/zinc/74/62/24/387746224.db2.gz HJYLYVYQMZSUOK-UHFFFAOYSA-N 1 2 241.294 1.849 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441367155 387750049 /nfs/dbraw/zinc/75/00/49/387750049.db2.gz PJYPEQPPHACEKH-WDEREUQCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441367155 387750057 /nfs/dbraw/zinc/75/00/57/387750057.db2.gz PJYPEQPPHACEKH-WDEREUQCSA-N 1 2 238.335 1.297 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C(=O)OC)C1CC1 ZINC000452018306 387700806 /nfs/dbraw/zinc/70/08/06/387700806.db2.gz QLWCMPUXVFTTAT-UTUOFQBUSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C1COC1 ZINC000367241671 387705012 /nfs/dbraw/zinc/70/50/12/387705012.db2.gz SJOLUBWFVBRKGD-SNVBAGLBSA-N 1 2 236.319 1.225 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1CC=CC1 ZINC000527768251 387705132 /nfs/dbraw/zinc/70/51/32/387705132.db2.gz JMFIAGHCFPGAJM-UHFFFAOYSA-N 1 2 234.303 1.186 20 0 BDADLO CC(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000377303321 387711121 /nfs/dbraw/zinc/71/11/21/387711121.db2.gz BXHMTVBHUVNGAT-UHFFFAOYSA-N 1 2 244.298 1.540 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2C[C@@H]2CCCCO2)no1 ZINC000377498844 387722700 /nfs/dbraw/zinc/72/27/00/387722700.db2.gz XQEDVMHBRCWWQS-WDEREUQCSA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)no1 ZINC000377498844 387722705 /nfs/dbraw/zinc/72/27/05/387722705.db2.gz XQEDVMHBRCWWQS-WDEREUQCSA-N 1 2 237.303 1.776 20 0 BDADLO CCC[C@@]1(CO)CC[N@H+](Cc2noc(C)n2)C1 ZINC000377598598 387729215 /nfs/dbraw/zinc/72/92/15/387729215.db2.gz BKGPUVBTNBSLKH-GFCCVEGCSA-N 1 2 239.319 1.363 20 0 BDADLO CCC[C@@]1(CO)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000377598598 387729224 /nfs/dbraw/zinc/72/92/24/387729224.db2.gz BKGPUVBTNBSLKH-GFCCVEGCSA-N 1 2 239.319 1.363 20 0 BDADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC(C)(C)C1 ZINC000452101336 387735865 /nfs/dbraw/zinc/73/58/65/387735865.db2.gz GBYAILJECRLPQY-UHFFFAOYSA-N 1 2 238.335 1.909 20 0 BDADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC(C)(C)C1 ZINC000452101336 387735872 /nfs/dbraw/zinc/73/58/72/387735872.db2.gz GBYAILJECRLPQY-UHFFFAOYSA-N 1 2 238.335 1.909 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196905 387768743 /nfs/dbraw/zinc/76/87/43/387768743.db2.gz RUHHQPRBZHWPGV-VIFPVBQESA-N 1 2 219.288 1.349 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378196905 387768749 /nfs/dbraw/zinc/76/87/49/387768749.db2.gz RUHHQPRBZHWPGV-VIFPVBQESA-N 1 2 219.288 1.349 20 0 BDADLO CNC(=O)[C@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000527889557 387775138 /nfs/dbraw/zinc/77/51/38/387775138.db2.gz FRMXEHQSDPPGNL-JTQLQIEISA-N 1 2 249.314 1.053 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000378381438 387780929 /nfs/dbraw/zinc/78/09/29/387780929.db2.gz YTBQGMIQSWBBRA-JTQLQIEISA-N 1 2 245.286 1.121 20 0 BDADLO COc1ccc[nH+]c1N(C)C1CCOCC1 ZINC000527918553 387787855 /nfs/dbraw/zinc/78/78/55/387787855.db2.gz YJCWBMGGYVMSJJ-UHFFFAOYSA-N 1 2 222.288 1.705 20 0 BDADLO Fc1ccc(C[NH2+]Cc2ncc[nH]2)cc1F ZINC000049715738 387787904 /nfs/dbraw/zinc/78/79/04/387787904.db2.gz MPSOJYKVESMAJV-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO Cc1c([C@H](C)[NH2+]Cc2ncc[nH]2)cnn1C ZINC000049715455 387788251 /nfs/dbraw/zinc/78/82/51/387788251.db2.gz DSUQHMQAVFGZHL-QMMMGPOBSA-N 1 2 219.292 1.302 20 0 BDADLO O=C(COCC1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378516419 387788758 /nfs/dbraw/zinc/78/87/58/387788758.db2.gz HVQBQLNQFPDRIC-NSHDSACASA-N 1 2 249.314 1.500 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC12CC2 ZINC000527988346 387803791 /nfs/dbraw/zinc/80/37/91/387803791.db2.gz XFUVJICAXSHCEV-RYUDHWBXSA-N 1 2 247.342 1.968 20 0 BDADLO CC[C@H](OC)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334420 387804501 /nfs/dbraw/zinc/80/45/01/387804501.db2.gz MQMJZQWVVWLBAK-VIFPVBQESA-N 1 2 237.303 1.583 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335702 387806887 /nfs/dbraw/zinc/80/68/87/387806887.db2.gz RIYNKTXQQYBIIK-VHSXEESVSA-N 1 2 249.314 1.583 20 0 BDADLO Cc1ccc2[nH+]c(CN3CCO[C@H]4C[C@H]43)cn2c1 ZINC000367831930 387757521 /nfs/dbraw/zinc/75/75/21/387757521.db2.gz LQRWRTFCRJAIOT-OLZOCXBDSA-N 1 2 243.310 1.616 20 0 BDADLO c1ccc2[nH+]c(N3C[C@@H]4COC[C@@H]4C3)[nH]c2c1 ZINC000378001268 387761141 /nfs/dbraw/zinc/76/11/41/387761141.db2.gz ZFQMTBGBJUHCTD-AOOOYVTPSA-N 1 2 229.283 1.646 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC[C@@H](C)O)[nH+]1 ZINC000432829287 387830067 /nfs/dbraw/zinc/83/00/67/387830067.db2.gz NKNNLISYLLEDHF-MRVPVSSYSA-N 1 2 234.303 1.791 20 0 BDADLO CC(C)c1nc(N[C@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000432849188 387832153 /nfs/dbraw/zinc/83/21/53/387832153.db2.gz ZSVPLFHBDXQICB-MNOVXSKESA-N 1 2 235.331 1.859 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H](CC)COC)C(=O)OCC ZINC000432891444 387837436 /nfs/dbraw/zinc/83/74/36/387837436.db2.gz TUWDVHRXONIDSY-LHXDFBSTSA-N 1 2 243.347 1.899 20 0 BDADLO COCC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432941059 387845780 /nfs/dbraw/zinc/84/57/80/387845780.db2.gz XDLNGVVIIDENQS-UHFFFAOYSA-N 1 2 226.324 1.180 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432941059 387845784 /nfs/dbraw/zinc/84/57/84/387845784.db2.gz XDLNGVVIIDENQS-UHFFFAOYSA-N 1 2 226.324 1.180 20 0 BDADLO CC(C)c1nc(NCC23CC(C2)CO3)cc[nH+]1 ZINC000528184830 387874898 /nfs/dbraw/zinc/87/48/98/387874898.db2.gz SFRBDCOQXWDVPD-UHFFFAOYSA-N 1 2 233.315 1.613 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000452568420 387859906 /nfs/dbraw/zinc/85/99/06/387859906.db2.gz ARBFJFUOOPRNOF-GHMZBOCLSA-N 1 2 235.331 1.955 20 0 BDADLO CCc1nc(C(=O)NCc2[nH+]ccn2CC)co1 ZINC000452571321 387862651 /nfs/dbraw/zinc/86/26/51/387862651.db2.gz NRRYWQQZTLXOQK-UHFFFAOYSA-N 1 2 248.286 1.383 20 0 BDADLO CCOC[C@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000528188922 387866480 /nfs/dbraw/zinc/86/64/80/387866480.db2.gz GZIUVDJJXNQUFM-LLVKDONJSA-N 1 2 237.303 1.027 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](CO)COC(C)C)no1 ZINC000433149665 387870925 /nfs/dbraw/zinc/87/09/25/387870925.db2.gz JQOWYUMMQRBDJF-GFCCVEGCSA-N 1 2 242.319 1.201 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](CO)COC(C)C)no1 ZINC000433149665 387870929 /nfs/dbraw/zinc/87/09/29/387870929.db2.gz JQOWYUMMQRBDJF-GFCCVEGCSA-N 1 2 242.319 1.201 20 0 BDADLO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000433145063 387871485 /nfs/dbraw/zinc/87/14/85/387871485.db2.gz FOQGPTFHZIDUIQ-VIFPVBQESA-N 1 2 247.302 1.127 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](C)[C@@H](OC)C1 ZINC000527976583 387815758 /nfs/dbraw/zinc/81/57/58/387815758.db2.gz DGWFGDNCMFUJTE-JQWIXIFHSA-N 1 2 236.315 1.951 20 0 BDADLO Nc1[nH+]cnc(NCCc2ccco2)c1Cl ZINC000236391659 387890432 /nfs/dbraw/zinc/89/04/32/387890432.db2.gz IGUJDDGQFLJCIF-UHFFFAOYSA-N 1 2 238.678 1.960 20 0 BDADLO Nc1nc[nH+]c(NCCc2ccco2)c1Cl ZINC000236391659 387890436 /nfs/dbraw/zinc/89/04/36/387890436.db2.gz IGUJDDGQFLJCIF-UHFFFAOYSA-N 1 2 238.678 1.960 20 0 BDADLO Nc1[nH+]cnc(NCc2cccnn2)c1Cl ZINC000236393090 387890655 /nfs/dbraw/zinc/89/06/55/387890655.db2.gz STQFOKCOCJWMCR-UHFFFAOYSA-N 1 2 236.666 1.114 20 0 BDADLO Nc1nc[nH+]c(NCc2cccnn2)c1Cl ZINC000236393090 387890658 /nfs/dbraw/zinc/89/06/58/387890658.db2.gz STQFOKCOCJWMCR-UHFFFAOYSA-N 1 2 236.666 1.114 20 0 BDADLO Nc1[nH+]cnc(N2C[C@H]3CC[C@@H](C2)O3)c1Cl ZINC000236388141 387891200 /nfs/dbraw/zinc/89/12/00/387891200.db2.gz KQTQMKVHLUHLIE-KNVOCYPGSA-N 1 2 240.694 1.080 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)CCOCC ZINC000444626016 387895450 /nfs/dbraw/zinc/89/54/50/387895450.db2.gz LGNTWRBUIKARSQ-SNVBAGLBSA-N 1 2 239.306 1.751 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)CCOCC ZINC000444626016 387895454 /nfs/dbraw/zinc/89/54/54/387895454.db2.gz LGNTWRBUIKARSQ-SNVBAGLBSA-N 1 2 239.306 1.751 20 0 BDADLO c1nc(NC2CC2)cc(NCC23CC(C2)CO3)[nH+]1 ZINC000528185346 387875034 /nfs/dbraw/zinc/87/50/34/387875034.db2.gz RRNINZGBIAGDAB-UHFFFAOYSA-N 1 2 246.314 1.642 20 0 BDADLO c1nc(NCC23CC(C2)CO3)cc(NC2CC2)[nH+]1 ZINC000528185346 387875041 /nfs/dbraw/zinc/87/50/41/387875041.db2.gz RRNINZGBIAGDAB-UHFFFAOYSA-N 1 2 246.314 1.642 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000163692016 387881648 /nfs/dbraw/zinc/88/16/48/387881648.db2.gz CTMDVYIQLYNTPD-VIFPVBQESA-N 1 2 240.376 1.836 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000163692016 387881650 /nfs/dbraw/zinc/88/16/50/387881650.db2.gz CTMDVYIQLYNTPD-VIFPVBQESA-N 1 2 240.376 1.836 20 0 BDADLO CCCCc1nc(C[N@H+](CCC)CCO)no1 ZINC000064931972 387899390 /nfs/dbraw/zinc/89/93/90/387899390.db2.gz FYUWPSKIYSSFJZ-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCc1nc(C[N@@H+](CCC)CCO)no1 ZINC000064931972 387899392 /nfs/dbraw/zinc/89/93/92/387899392.db2.gz FYUWPSKIYSSFJZ-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO NC(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195036962 387902001 /nfs/dbraw/zinc/90/20/01/387902001.db2.gz NTRFIJLPFOZODI-NSHDSACASA-N 1 2 247.323 1.307 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452750095 387908316 /nfs/dbraw/zinc/90/83/16/387908316.db2.gz DYVCQNNQJDTMQM-SECBINFHSA-N 1 2 237.303 1.319 20 0 BDADLO CC[N@H+](Cc1coc(S(C)(=O)=O)c1)C(C)C ZINC000528354531 387908513 /nfs/dbraw/zinc/90/85/13/387908513.db2.gz QFAWNJUBEOFSGY-UHFFFAOYSA-N 1 2 245.344 1.913 20 0 BDADLO CC[N@@H+](Cc1coc(S(C)(=O)=O)c1)C(C)C ZINC000528354531 387908516 /nfs/dbraw/zinc/90/85/16/387908516.db2.gz QFAWNJUBEOFSGY-UHFFFAOYSA-N 1 2 245.344 1.913 20 0 BDADLO CCOCC[C@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000444684449 387909273 /nfs/dbraw/zinc/90/92/73/387909273.db2.gz JXKNTHOQWLMZDI-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CCOCC[C@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000444684449 387909279 /nfs/dbraw/zinc/90/92/79/387909279.db2.gz JXKNTHOQWLMZDI-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO Cn1nncc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424208629 387930182 /nfs/dbraw/zinc/93/01/82/387930182.db2.gz YIBNVZMECBQRSO-OLZOCXBDSA-N 1 2 246.289 1.542 20 0 BDADLO CC[C@H](SC)C(=O)NC1=[NH+]CCS1 ZINC000178487348 387924520 /nfs/dbraw/zinc/92/45/20/387924520.db2.gz CKQOTIYRZKRVFI-LURJTMIESA-N 1 2 218.347 1.347 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3ccccc23)[C@@H](C)CO1 ZINC000245538685 387956110 /nfs/dbraw/zinc/95/61/10/387956110.db2.gz KCXSALHLLVUHRH-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3ccccc23)[C@@H](C)CO1 ZINC000245538685 387956115 /nfs/dbraw/zinc/95/61/15/387956115.db2.gz KCXSALHLLVUHRH-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO c1c[nH]c([C@@H]([NH2+]C2CC2)c2cccnc2)n1 ZINC000194957732 387950041 /nfs/dbraw/zinc/95/00/41/387950041.db2.gz CVLXOQKVNODKPJ-NSHDSACASA-N 1 2 214.272 1.646 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)[C@@H](C)CO1 ZINC000245546133 387959370 /nfs/dbraw/zinc/95/93/70/387959370.db2.gz UWGTUBQIBVQNNQ-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)[C@@H](C)CO1 ZINC000245546133 387959372 /nfs/dbraw/zinc/95/93/72/387959372.db2.gz UWGTUBQIBVQNNQ-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO Cc1nc2[nH]ccc2c(N(CCO)C2CCC2)[nH+]1 ZINC000438891448 387962399 /nfs/dbraw/zinc/96/23/99/387962399.db2.gz FSZIHLJQAWMVGO-UHFFFAOYSA-N 1 2 246.314 1.618 20 0 BDADLO Cc1cccc([C@H](C)[NH2+]Cc2n[nH]c(=O)[nH]2)c1 ZINC000392334660 387957253 /nfs/dbraw/zinc/95/72/53/387957253.db2.gz GFYJJMMQULDDJV-VIFPVBQESA-N 1 2 232.287 1.670 20 0 BDADLO CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045300787 387976543 /nfs/dbraw/zinc/97/65/43/387976543.db2.gz FRHVUGSUCSIILQ-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@@H](C)[C@H](C)O1 ZINC000446072284 387995548 /nfs/dbraw/zinc/99/55/48/387995548.db2.gz PJQFNIHLTAVPJA-XGEHTFHBSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H](C)[C@H](C)O1 ZINC000446072284 387995550 /nfs/dbraw/zinc/99/55/50/387995550.db2.gz PJQFNIHLTAVPJA-XGEHTFHBSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@@H]1OCC[N@H+](CCOCC(F)(F)F)[C@H]1C ZINC000156537590 387996912 /nfs/dbraw/zinc/99/69/12/387996912.db2.gz YXWSFKKLBNJADR-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1OCC[N@@H+](CCOCC(F)(F)F)[C@H]1C ZINC000156537590 387996918 /nfs/dbraw/zinc/99/69/18/387996918.db2.gz YXWSFKKLBNJADR-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)o1 ZINC000446081403 387997239 /nfs/dbraw/zinc/99/72/39/387997239.db2.gz NPUAZNJEFBPZOG-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)o1 ZINC000446081403 387997243 /nfs/dbraw/zinc/99/72/43/387997243.db2.gz NPUAZNJEFBPZOG-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO COC(=O)NCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000107760286 388007144 /nfs/dbraw/zinc/00/71/44/388007144.db2.gz QPCCPBHKVMWJKT-UHFFFAOYSA-N 1 2 237.259 1.075 20 0 BDADLO Cc1ccn(C)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000439528382 388007246 /nfs/dbraw/zinc/00/72/46/388007246.db2.gz QMCZUWVKIQZYDE-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000439906238 388024810 /nfs/dbraw/zinc/02/48/10/388024810.db2.gz VRISPNJTYSHGOK-VIFPVBQESA-N 1 2 219.288 1.066 20 0 BDADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000439906237 388025232 /nfs/dbraw/zinc/02/52/32/388025232.db2.gz VRISPNJTYSHGOK-SECBINFHSA-N 1 2 219.288 1.066 20 0 BDADLO Cc1nnsc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000082270226 388020808 /nfs/dbraw/zinc/02/08/08/388020808.db2.gz MMHQWSSUGFTXGW-UHFFFAOYSA-N 1 2 234.284 1.802 20 0 BDADLO COCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000082276459 388020910 /nfs/dbraw/zinc/02/09/10/388020910.db2.gz WENHFPRCHNUVPB-UHFFFAOYSA-N 1 2 231.255 1.662 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1c1cc[nH+]c(C)n1 ZINC000447067402 388051655 /nfs/dbraw/zinc/05/16/55/388051655.db2.gz JYIIGCFWDRCCLU-MWLCHTKSSA-N 1 2 221.304 1.789 20 0 BDADLO C[C@H](F)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000454333568 388114570 /nfs/dbraw/zinc/11/45/70/388114570.db2.gz DELAPTYPSJKUNT-UWVGGRQHSA-N 1 2 242.298 1.319 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC000084081726 388069513 /nfs/dbraw/zinc/06/95/13/388069513.db2.gz FHPFIOCUIOTWSL-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000084081726 388069517 /nfs/dbraw/zinc/06/95/17/388069517.db2.gz FHPFIOCUIOTWSL-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1ncnn1C ZINC000453413006 388077426 /nfs/dbraw/zinc/07/74/26/388077426.db2.gz GXTZJMQFDHZZCV-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1ncnn1C ZINC000453413006 388077429 /nfs/dbraw/zinc/07/74/29/388077429.db2.gz GXTZJMQFDHZZCV-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO Cc1ccccc1C1([NH2+]Cc2ncnn2C)CC1 ZINC000645979872 388114894 /nfs/dbraw/zinc/11/48/94/388114894.db2.gz MINICQDEMVNGGP-UHFFFAOYSA-N 1 2 242.326 1.902 20 0 BDADLO C[C@H](CO)C[NH2+][C@H](c1ncc[nH]1)c1ccccn1 ZINC000447552382 388077833 /nfs/dbraw/zinc/07/78/33/388077833.db2.gz TXCNLMHKIZQGML-JQWIXIFHSA-N 1 2 246.314 1.112 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000085184598 388084761 /nfs/dbraw/zinc/08/47/61/388084761.db2.gz JRLSMIQSXKWSFN-AWEZNQCLSA-N 1 2 249.358 1.955 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000085184598 388084763 /nfs/dbraw/zinc/08/47/63/388084763.db2.gz JRLSMIQSXKWSFN-AWEZNQCLSA-N 1 2 249.358 1.955 20 0 BDADLO Nc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000085541351 388090017 /nfs/dbraw/zinc/09/00/17/388090017.db2.gz ACXLGSULBYMGPU-PHIMTYICSA-N 1 2 219.288 1.027 20 0 BDADLO Nc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000085541351 388090021 /nfs/dbraw/zinc/09/00/21/388090021.db2.gz ACXLGSULBYMGPU-PHIMTYICSA-N 1 2 219.288 1.027 20 0 BDADLO CCC1C[NH+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000453608125 388091059 /nfs/dbraw/zinc/09/10/59/388091059.db2.gz TYHGJAWLLYFGQT-UHFFFAOYSA-N 1 2 222.336 1.875 20 0 BDADLO CCC1C[NH+](Cc2cn(C(C)C)nn2)C1 ZINC000453609659 388092259 /nfs/dbraw/zinc/09/22/59/388092259.db2.gz IKQYQYMHQWETLM-UHFFFAOYSA-N 1 2 208.309 1.701 20 0 BDADLO Cc1cnc([C@H](C)[NH2+][C@H](CO)[C@H]2CCCO2)o1 ZINC000447919326 388103046 /nfs/dbraw/zinc/10/30/46/388103046.db2.gz DSGJFZIPYYQOIC-HBNTYKKESA-N 1 2 240.303 1.174 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000170819088 388107347 /nfs/dbraw/zinc/10/73/47/388107347.db2.gz YRTGNLQVGMZEFS-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000170819088 388107348 /nfs/dbraw/zinc/10/73/48/388107348.db2.gz YRTGNLQVGMZEFS-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC1CC1 ZINC000454205137 388107994 /nfs/dbraw/zinc/10/79/94/388107994.db2.gz SUXKWJUOTZJEII-UHFFFAOYSA-N 1 2 222.292 1.112 20 0 BDADLO CC[C@H](F)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000440499043 388044893 /nfs/dbraw/zinc/04/48/93/388044893.db2.gz WFGDIBGRIGLYAB-NSHDSACASA-N 1 2 240.326 1.723 20 0 BDADLO CC[C@H](F)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000440499043 388044896 /nfs/dbraw/zinc/04/48/96/388044896.db2.gz WFGDIBGRIGLYAB-NSHDSACASA-N 1 2 240.326 1.723 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000440496179 388045637 /nfs/dbraw/zinc/04/56/37/388045637.db2.gz NSAUCERZOABRTP-ISTVAULSSA-N 1 2 221.341 1.435 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000440496179 388045641 /nfs/dbraw/zinc/04/56/41/388045641.db2.gz NSAUCERZOABRTP-ISTVAULSSA-N 1 2 221.341 1.435 20 0 BDADLO CCOC[C@@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000447013226 388048599 /nfs/dbraw/zinc/04/85/99/388048599.db2.gz LEUGBBQUIVCEQH-LBPRGKRZSA-N 1 2 247.298 1.343 20 0 BDADLO CSCCC[N@H+](C)Cc1ncnn1CCF ZINC000440523406 388050523 /nfs/dbraw/zinc/05/05/23/388050523.db2.gz HSLYMFOLLGAQKM-UHFFFAOYSA-N 1 2 246.355 1.433 20 0 BDADLO CSCCC[N@@H+](C)Cc1ncnn1CCF ZINC000440523406 388050526 /nfs/dbraw/zinc/05/05/26/388050526.db2.gz HSLYMFOLLGAQKM-UHFFFAOYSA-N 1 2 246.355 1.433 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000440519410 388050684 /nfs/dbraw/zinc/05/06/84/388050684.db2.gz MFVVKYKIQXOKOH-CHWSQXEVSA-N 1 2 245.338 1.862 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000440519410 388050685 /nfs/dbraw/zinc/05/06/85/388050685.db2.gz MFVVKYKIQXOKOH-CHWSQXEVSA-N 1 2 245.338 1.862 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C)no1 ZINC000195518802 388165176 /nfs/dbraw/zinc/16/51/76/388165176.db2.gz SOARIKLWLBOSSJ-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C)no1 ZINC000195518802 388165179 /nfs/dbraw/zinc/16/51/79/388165179.db2.gz SOARIKLWLBOSSJ-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259495 388171468 /nfs/dbraw/zinc/17/14/68/388171468.db2.gz HQIJHIVVLHXRBI-QMMMGPOBSA-N 1 2 207.277 1.341 20 0 BDADLO CC[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259495 388171470 /nfs/dbraw/zinc/17/14/70/388171470.db2.gz HQIJHIVVLHXRBI-QMMMGPOBSA-N 1 2 207.277 1.341 20 0 BDADLO O=C([C@@H]1CCCS1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259525 388171530 /nfs/dbraw/zinc/17/15/30/388171530.db2.gz JUWFLTPPNTZWEP-JTQLQIEISA-N 1 2 237.328 1.190 20 0 BDADLO O=C([C@@H]1CCCS1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259525 388171531 /nfs/dbraw/zinc/17/15/31/388171531.db2.gz JUWFLTPPNTZWEP-JTQLQIEISA-N 1 2 237.328 1.190 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)C1CCC1 ZINC000456165918 388183114 /nfs/dbraw/zinc/18/31/14/388183114.db2.gz LBKJLISUWGJIPW-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)C1CCC1 ZINC000456165918 388183117 /nfs/dbraw/zinc/18/31/17/388183117.db2.gz LBKJLISUWGJIPW-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000448954504 388122784 /nfs/dbraw/zinc/12/27/84/388122784.db2.gz VSBCMQWQFAPZAR-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000646059152 388134575 /nfs/dbraw/zinc/13/45/75/388134575.db2.gz KBKCANCSHFYQQT-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000646059152 388134577 /nfs/dbraw/zinc/13/45/77/388134577.db2.gz KBKCANCSHFYQQT-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc[nH]2)CC2(CCCC2)O1 ZINC000646135316 388152445 /nfs/dbraw/zinc/15/24/45/388152445.db2.gz JGZWCZDCMPMSOT-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc[nH]2)CC2(CCCC2)O1 ZINC000646135316 388152447 /nfs/dbraw/zinc/15/24/47/388152447.db2.gz JGZWCZDCMPMSOT-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]cn2)CC2(CCCC2)O1 ZINC000646135316 388152449 /nfs/dbraw/zinc/15/24/49/388152449.db2.gz JGZWCZDCMPMSOT-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]cn2)CC2(CCCC2)O1 ZINC000646135316 388152451 /nfs/dbraw/zinc/15/24/51/388152451.db2.gz JGZWCZDCMPMSOT-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO CC1(C)C[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449654624 388248761 /nfs/dbraw/zinc/24/87/61/388248761.db2.gz FGEKNBIOZJZIKQ-BDAKNGLRSA-N 1 2 246.301 1.394 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccn(C)n2)s1 ZINC000164842995 388249144 /nfs/dbraw/zinc/24/91/44/388249144.db2.gz VVHMLEUECLFVGD-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CCC1 ZINC000456341340 388195884 /nfs/dbraw/zinc/19/58/84/388195884.db2.gz DVMNUQMIVPMWBG-SECBINFHSA-N 1 2 221.304 1.880 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000449417074 388200008 /nfs/dbraw/zinc/20/00/08/388200008.db2.gz WTKFIDHZBDEDKK-SSDOTTSWSA-N 1 2 215.247 1.918 20 0 BDADLO Nc1cc(C[N@@H+]2CCc3ncsc3C2)ccn1 ZINC000488997714 388200474 /nfs/dbraw/zinc/20/04/74/388200474.db2.gz TYBCBIMAYYETAB-UHFFFAOYSA-N 1 2 246.339 1.509 20 0 BDADLO Nc1cc(C[N@H+]2CCc3ncsc3C2)ccn1 ZINC000488997714 388200476 /nfs/dbraw/zinc/20/04/76/388200476.db2.gz TYBCBIMAYYETAB-UHFFFAOYSA-N 1 2 246.339 1.509 20 0 BDADLO CC[N@H+](Cc1cnc2cc(C)ccn12)C1COC1 ZINC000449422452 388200645 /nfs/dbraw/zinc/20/06/45/388200645.db2.gz DGJRPTRVVLAXGJ-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@@H+](Cc1cnc2cc(C)ccn12)C1COC1 ZINC000449422452 388200647 /nfs/dbraw/zinc/20/06/47/388200647.db2.gz DGJRPTRVVLAXGJ-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@H+](Cc1cnc2n[nH]c(C)c2c1)C1COC1 ZINC000449422051 388201024 /nfs/dbraw/zinc/20/10/24/388201024.db2.gz CDLJWNZRLWCWFQ-UHFFFAOYSA-N 1 2 246.314 1.487 20 0 BDADLO CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)C1COC1 ZINC000449422051 388201027 /nfs/dbraw/zinc/20/10/27/388201027.db2.gz CDLJWNZRLWCWFQ-UHFFFAOYSA-N 1 2 246.314 1.487 20 0 BDADLO C[C@@H](CN=c1nc(C(C)(C)C)o[nH]1)C[NH+](C)C ZINC000489008417 388201605 /nfs/dbraw/zinc/20/16/05/388201605.db2.gz SYHOOSQLECLSNW-VIFPVBQESA-N 1 2 240.351 1.399 20 0 BDADLO CC[N@H+](Cc1cnc(C)nc1)C1COC1 ZINC000449429969 388203848 /nfs/dbraw/zinc/20/38/48/388203848.db2.gz XYDNNMVLTURWMS-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CC[N@@H+](Cc1cnc(C)nc1)C1COC1 ZINC000449429969 388203850 /nfs/dbraw/zinc/20/38/50/388203850.db2.gz XYDNNMVLTURWMS-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC)C1CC1 ZINC000489404935 388211604 /nfs/dbraw/zinc/21/16/04/388211604.db2.gz PZUHPBNNJIXYDW-UTUOFQBUSA-N 1 2 241.331 1.485 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CC2(C)C)n1C ZINC000489432530 388213637 /nfs/dbraw/zinc/21/36/37/388213637.db2.gz AUTQJMGTWHAEIO-SECBINFHSA-N 1 2 222.336 1.608 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CC2(C)C)n1C ZINC000489432530 388213638 /nfs/dbraw/zinc/21/36/38/388213638.db2.gz AUTQJMGTWHAEIO-SECBINFHSA-N 1 2 222.336 1.608 20 0 BDADLO CC(C)n1nnnc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489445873 388215430 /nfs/dbraw/zinc/21/54/30/388215430.db2.gz ZWQSGHMVDMOZDJ-VIFPVBQESA-N 1 2 223.324 1.484 20 0 BDADLO CC(C)n1nnnc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489445873 388215431 /nfs/dbraw/zinc/21/54/31/388215431.db2.gz ZWQSGHMVDMOZDJ-VIFPVBQESA-N 1 2 223.324 1.484 20 0 BDADLO C/C(=C/c1ccccc1)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000449519255 388222876 /nfs/dbraw/zinc/22/28/76/388222876.db2.gz BNWCQULBFZHYPC-LLBKUYECSA-N 1 2 244.338 1.910 20 0 BDADLO C/C(=C/c1ccccc1)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000449519255 388222878 /nfs/dbraw/zinc/22/28/78/388222878.db2.gz BNWCQULBFZHYPC-LLBKUYECSA-N 1 2 244.338 1.910 20 0 BDADLO Cc1cc(N2C[C@@H](O)C3(CC3)C2)nc(C(C)C)[nH+]1 ZINC000489939668 388228795 /nfs/dbraw/zinc/22/87/95/388228795.db2.gz RSLOEVRUGAJXCO-LLVKDONJSA-N 1 2 247.342 1.870 20 0 BDADLO CCc1nsc(N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000489971510 388229534 /nfs/dbraw/zinc/22/95/34/388229534.db2.gz JKADZJCMZBAAQX-MRVPVSSYSA-N 1 2 249.343 1.146 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)CC[C@@H]1O ZINC000489991929 388230435 /nfs/dbraw/zinc/23/04/35/388230435.db2.gz IOSWEJBNZYNPJD-YGRLFVJLSA-N 1 2 243.310 1.837 20 0 BDADLO CC(C)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000449630637 388245920 /nfs/dbraw/zinc/24/59/20/388245920.db2.gz NLZCNYUPCDSLHW-VIFPVBQESA-N 1 2 209.280 1.980 20 0 BDADLO CC(C)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000449630637 388245923 /nfs/dbraw/zinc/24/59/23/388245923.db2.gz NLZCNYUPCDSLHW-VIFPVBQESA-N 1 2 209.280 1.980 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000451622719 388285701 /nfs/dbraw/zinc/28/57/01/388285701.db2.gz HBABQWLRSMSUIF-NXEZZACHSA-N 1 2 239.319 1.850 20 0 BDADLO O=C(/C=C/c1cscn1)NCCn1cc[nH+]c1 ZINC000491364464 388288561 /nfs/dbraw/zinc/28/85/61/388288561.db2.gz FOYHZEZRYDOLLT-OWOJBTEDSA-N 1 2 248.311 1.169 20 0 BDADLO C[C@H](O)C[N@H+](CCC1CC1)CC(F)F ZINC000451828409 388298963 /nfs/dbraw/zinc/29/89/63/388298963.db2.gz FRAOGPNJSZZABH-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](O)C[N@@H+](CCC1CC1)CC(F)F ZINC000451828409 388298964 /nfs/dbraw/zinc/29/89/64/388298964.db2.gz FRAOGPNJSZZABH-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO COC(C)(C)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451824934 388299044 /nfs/dbraw/zinc/29/90/44/388299044.db2.gz CNJDOFFIMREICI-SECBINFHSA-N 1 2 239.306 1.749 20 0 BDADLO COC(C)(C)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451824934 388299046 /nfs/dbraw/zinc/29/90/46/388299046.db2.gz CNJDOFFIMREICI-SECBINFHSA-N 1 2 239.306 1.749 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/C1CCC1 ZINC000492050077 388332845 /nfs/dbraw/zinc/33/28/45/388332845.db2.gz OZJHXFLIRALGDZ-AATRIKPKSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/C(C)(C)C ZINC000491840468 388324216 /nfs/dbraw/zinc/32/42/16/388324216.db2.gz BCAWEFKUTOETHV-AATRIKPKSA-N 1 2 221.304 1.970 20 0 BDADLO O=C(/C=C/c1cscn1)NCc1[nH]cc[nH+]1 ZINC000491894748 388326607 /nfs/dbraw/zinc/32/66/07/388326607.db2.gz MIJPCGNKFDPWMI-OWOJBTEDSA-N 1 2 234.284 1.196 20 0 BDADLO O=C(/C=C\c1ccncc1)NCCc1[nH]cc[nH+]1 ZINC000491944509 388328954 /nfs/dbraw/zinc/32/89/54/388328954.db2.gz CKPDPTUOONPZHY-UPHRSURJSA-N 1 2 242.282 1.177 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccc[nH]1 ZINC000491971867 388330362 /nfs/dbraw/zinc/33/03/62/388330362.db2.gz IHKUNTVTQZZUKG-PLNGDYQASA-N 1 2 230.271 1.410 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](SC)C2)[nH]1 ZINC000451329856 388263126 /nfs/dbraw/zinc/26/31/26/388263126.db2.gz YELNFTXSEZQGIH-QMMMGPOBSA-N 1 2 226.349 1.304 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](SC)C2)[nH]1 ZINC000451329856 388263128 /nfs/dbraw/zinc/26/31/28/388263128.db2.gz YELNFTXSEZQGIH-QMMMGPOBSA-N 1 2 226.349 1.304 20 0 BDADLO CC[C@H](NC(=O)/C=C/C1CC1)c1[nH]cc[nH+]1 ZINC000492007867 388331123 /nfs/dbraw/zinc/33/11/23/388331123.db2.gz YBDPUPJOKBOVIK-PORFMDCZSA-N 1 2 219.288 1.943 20 0 BDADLO CC[C@H](NC(=O)C=CC1CC1)c1[nH]cc[nH+]1 ZINC000492007867 388331124 /nfs/dbraw/zinc/33/11/24/388331124.db2.gz YBDPUPJOKBOVIK-PORFMDCZSA-N 1 2 219.288 1.943 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ncc(C)o1 ZINC000492409270 388343807 /nfs/dbraw/zinc/34/38/07/388343807.db2.gz PCQJIMPLXAOTCU-PLNGDYQASA-N 1 2 246.270 1.851 20 0 BDADLO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ncn(C)n1 ZINC000275494930 388345134 /nfs/dbraw/zinc/34/51/34/388345134.db2.gz GIRNMOBGFKXJQR-VHSXEESVSA-N 1 2 206.293 1.574 20 0 BDADLO CNC(=O)C[C@H](C)[NH2+]Cc1n[nH]c2ccccc12 ZINC000648786369 388355609 /nfs/dbraw/zinc/35/56/09/388355609.db2.gz QHVDCZDXUATAAO-VIFPVBQESA-N 1 2 246.314 1.177 20 0 BDADLO COC[C@H](C)N(C)c1nc[nH+]c(N)c1Cl ZINC000234694512 388359076 /nfs/dbraw/zinc/35/90/76/388359076.db2.gz XWTRPDAIVOEBKN-LURJTMIESA-N 1 2 230.699 1.183 20 0 BDADLO COC[C@H](C)N(C)c1[nH+]cnc(N)c1Cl ZINC000234694512 388359080 /nfs/dbraw/zinc/35/90/80/388359080.db2.gz XWTRPDAIVOEBKN-LURJTMIESA-N 1 2 230.699 1.183 20 0 BDADLO C[C@@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000227840629 388372004 /nfs/dbraw/zinc/37/20/04/388372004.db2.gz DCAWSHVUDKBZDT-SSDOTTSWSA-N 1 2 226.711 1.949 20 0 BDADLO C[C@@H]1CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000227840629 388372007 /nfs/dbraw/zinc/37/20/07/388372007.db2.gz DCAWSHVUDKBZDT-SSDOTTSWSA-N 1 2 226.711 1.949 20 0 BDADLO CO[C@@](C)(C[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000291039880 388372230 /nfs/dbraw/zinc/37/22/30/388372230.db2.gz KPMXJUOFYFRLLJ-NSHDSACASA-N 1 2 209.293 1.314 20 0 BDADLO Cc1nnc(CCNc2cccc[nH+]2)s1 ZINC000291265137 388374576 /nfs/dbraw/zinc/37/45/76/388374576.db2.gz ZLAYEGSFECJSOT-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000236947307 388386581 /nfs/dbraw/zinc/38/65/81/388386581.db2.gz GEIHVVUUPCIYIU-AUTRQRHGSA-N 1 2 228.336 1.044 20 0 BDADLO CC[C@H](CC(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000236931606 388386722 /nfs/dbraw/zinc/38/67/22/388386722.db2.gz JTZLMVXALIQKDM-GHMZBOCLSA-N 1 2 214.353 1.770 20 0 BDADLO Cc1cccc(N(C)C(=O)Cn2cc[nH+]c2)c1 ZINC000572900906 388386688 /nfs/dbraw/zinc/38/66/88/388386688.db2.gz OHOPQNYZRSBHBW-UHFFFAOYSA-N 1 2 229.283 1.855 20 0 BDADLO CC[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000236949071 388386969 /nfs/dbraw/zinc/38/69/69/388386969.db2.gz YOLTYJFMHOMKLE-NEPJUHHUSA-N 1 2 240.347 1.014 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237028493 388388799 /nfs/dbraw/zinc/38/87/99/388388799.db2.gz GGGLHVBNLDDCHL-ZETCQYMHSA-N 1 2 209.249 1.027 20 0 BDADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cccnc1 ZINC000646587530 388391187 /nfs/dbraw/zinc/39/11/87/388391187.db2.gz MULOKINYJGPVBS-LLVKDONJSA-N 1 2 247.342 1.601 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\C1CCC1 ZINC000492066813 388333551 /nfs/dbraw/zinc/33/35/51/388333551.db2.gz KDYCXNVKVIOWFO-WAYWQWQTSA-N 1 2 219.288 1.393 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C\C(C)(C)C ZINC000492093953 388334678 /nfs/dbraw/zinc/33/46/78/388334678.db2.gz IKIGSTYXWOYHKT-WAYWQWQTSA-N 1 2 221.304 1.937 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H](C)C1 ZINC000492280555 388340135 /nfs/dbraw/zinc/34/01/35/388340135.db2.gz XSIOZFFNPIASTO-ZWNMCFTASA-N 1 2 233.315 1.785 20 0 BDADLO FC1(C[NH2+]Cc2nnc3n2CCCCC3)CC1 ZINC000525981886 388446803 /nfs/dbraw/zinc/44/68/03/388446803.db2.gz HAMOZURPAKCYQV-UHFFFAOYSA-N 1 2 238.310 1.596 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000649215393 388459241 /nfs/dbraw/zinc/45/92/41/388459241.db2.gz KZCKNEPWOBQCTO-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCc1ccc[nH]1 ZINC000176734653 388460069 /nfs/dbraw/zinc/46/00/69/388460069.db2.gz GYFPNNGUAPIUBT-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649226261 388462815 /nfs/dbraw/zinc/46/28/15/388462815.db2.gz JJVGLANJWCKLLM-DLRQAJBASA-N 1 2 233.315 1.528 20 0 BDADLO CC[C@H](NC(=O)c1ccn(CC)n1)c1[nH]cc[nH+]1 ZINC000648863818 388475260 /nfs/dbraw/zinc/47/52/60/388475260.db2.gz YSZSZLDLBBGTFG-VIFPVBQESA-N 1 2 247.302 1.507 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000648863844 388475284 /nfs/dbraw/zinc/47/52/84/388475284.db2.gz ZLEWHNGODARNAY-WCBMZHEXSA-N 1 2 235.287 1.346 20 0 BDADLO Cc1cnc(C[NH2+]CCc2nnc(C)[nH]2)s1 ZINC000295415024 388411460 /nfs/dbraw/zinc/41/14/60/388411460.db2.gz NIUCPBBPCRAGBD-UHFFFAOYSA-N 1 2 237.332 1.210 20 0 BDADLO O=C(CC1CCC1)NCCCCn1cc[nH+]c1 ZINC000525210176 388421741 /nfs/dbraw/zinc/42/17/41/388421741.db2.gz KKNFULAMRPODKB-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO COC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000525251660 388422472 /nfs/dbraw/zinc/42/24/72/388422472.db2.gz JWPUIYUGZDGZAV-SNVBAGLBSA-N 1 2 225.292 1.119 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)(F)F ZINC000336886495 388427231 /nfs/dbraw/zinc/42/72/31/388427231.db2.gz CBAWFZBWFOPLNO-ZETCQYMHSA-N 1 2 231.246 1.659 20 0 BDADLO CC(C)(C(=O)NCC1CCC1)c1c[nH]c[nH+]1 ZINC000646719745 388429380 /nfs/dbraw/zinc/42/93/80/388429380.db2.gz WDENMBWLRIIBDQ-UHFFFAOYSA-N 1 2 221.304 1.604 20 0 BDADLO CC/C=C\CC[NH+]1CCS(=O)CC1 ZINC000308206170 388433765 /nfs/dbraw/zinc/43/37/65/388433765.db2.gz YYTNTHNBYDAMCC-ARJAWSKDSA-N 1 2 201.335 1.407 20 0 BDADLO CC(C)(NC(=O)[C@H]1C[C@@]12CCOC2)c1[nH]cc[nH+]1 ZINC000516481839 256778210 /nfs/dbraw/zinc/77/82/10/256778210.db2.gz SGNBQLOPQICKBV-NOZJJQNGSA-N 1 2 249.314 1.188 20 0 BDADLO CCC[NH2+][C@@H](C)C(=O)N=c1[nH][nH]c(CC)c1C ZINC000517234163 388543434 /nfs/dbraw/zinc/54/34/34/388543434.db2.gz WFYSKWAIPFZNHX-VIFPVBQESA-N 1 2 238.335 1.029 20 0 BDADLO c1n[nH]nc1SCc1cn2ccccc2[nH+]1 ZINC000177380961 388483024 /nfs/dbraw/zinc/48/30/24/388483024.db2.gz UWOFMKYNGJSLNL-UHFFFAOYSA-N 1 2 231.284 1.745 20 0 BDADLO c1[nH]nnc1SCc1cn2ccccc2[nH+]1 ZINC000177380961 388483026 /nfs/dbraw/zinc/48/30/26/388483026.db2.gz UWOFMKYNGJSLNL-UHFFFAOYSA-N 1 2 231.284 1.745 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC(C2CC2)CC1 ZINC000646761913 388484717 /nfs/dbraw/zinc/48/47/17/388484717.db2.gz LXYISYNCIUKBOE-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO COc1ccc(NC[C@H](OC)C2CC2)[nH+]c1 ZINC000378735283 388489013 /nfs/dbraw/zinc/48/90/13/388489013.db2.gz ZARSVJSGKVJBEV-NSHDSACASA-N 1 2 222.288 1.927 20 0 BDADLO COCC1=CC[N@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000547842253 388491807 /nfs/dbraw/zinc/49/18/07/388491807.db2.gz QYVCVSHLHTUHBT-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO COCC1=CC[N@@H+](Cc2nnc(C3CC3)o2)CC1 ZINC000547842253 388491809 /nfs/dbraw/zinc/49/18/09/388491809.db2.gz QYVCVSHLHTUHBT-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO CSC[C@@H]1CCC[N@@H+]1Cc1noc(C)n1 ZINC000135482764 388497464 /nfs/dbraw/zinc/49/74/64/388497464.db2.gz STEMUNSGJVTWDC-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO CSC[C@@H]1CCC[N@H+]1Cc1noc(C)n1 ZINC000135482764 388497467 /nfs/dbraw/zinc/49/74/67/388497467.db2.gz STEMUNSGJVTWDC-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cn(C)nc2C)[nH]c1C ZINC000576887958 388509070 /nfs/dbraw/zinc/50/90/70/388509070.db2.gz YAUKRKFJMWRAOW-JTQLQIEISA-N 1 2 247.346 1.919 20 0 BDADLO Cc1nn(C)cc1[C@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000576887958 388509072 /nfs/dbraw/zinc/50/90/72/388509072.db2.gz YAUKRKFJMWRAOW-JTQLQIEISA-N 1 2 247.346 1.919 20 0 BDADLO c1cn(CCSc2ncccn2)c[nH+]1 ZINC000179027922 388509521 /nfs/dbraw/zinc/50/95/21/388509521.db2.gz LLNWFWHEIBFACR-UHFFFAOYSA-N 1 2 206.274 1.465 20 0 BDADLO O=C(C[NH2+]Cc1cocn1)Nc1cccc(F)c1 ZINC000397937478 388512197 /nfs/dbraw/zinc/51/21/97/388512197.db2.gz OPJYYSCEBADSAG-UHFFFAOYSA-N 1 2 249.245 1.542 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1c[nH+]c[nH]1 ZINC000648954399 388516343 /nfs/dbraw/zinc/51/63/43/388516343.db2.gz JNLOCKCYJVHFKE-YWVKMMECSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1c[nH]c[nH+]1 ZINC000648954399 388516345 /nfs/dbraw/zinc/51/63/45/388516345.db2.gz JNLOCKCYJVHFKE-YWVKMMECSA-N 1 2 219.288 1.462 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)c1nccs1 ZINC000548191544 388521041 /nfs/dbraw/zinc/52/10/41/388521041.db2.gz WBECMYLQLNYFEI-UHFFFAOYSA-N 1 2 236.300 1.082 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1C/C=C(\C)Cl ZINC000528434710 388524803 /nfs/dbraw/zinc/52/48/03/388524803.db2.gz XNQTUZLADLQYMB-CYNRKNSPSA-N 1 2 230.739 1.730 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C=C(\C)Cl ZINC000528434710 388524805 /nfs/dbraw/zinc/52/48/05/388524805.db2.gz XNQTUZLADLQYMB-CYNRKNSPSA-N 1 2 230.739 1.730 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2C[C@@H]2C(F)F)c1Cl ZINC000348103200 388525374 /nfs/dbraw/zinc/52/53/74/388525374.db2.gz DUGGKNSTJYXLHI-IMJSIDKUSA-N 1 2 234.637 1.778 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2C[C@@H]2C(F)F)c1Cl ZINC000348103200 388525377 /nfs/dbraw/zinc/52/53/77/388525377.db2.gz DUGGKNSTJYXLHI-IMJSIDKUSA-N 1 2 234.637 1.778 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC(C)(C)C ZINC000136276253 388529700 /nfs/dbraw/zinc/52/97/00/388529700.db2.gz RIOULNUTHIWMQR-VOTSOKGWSA-N 1 2 221.304 1.831 20 0 BDADLO C/C(Cl)=C\C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000528464444 388530378 /nfs/dbraw/zinc/53/03/78/388530378.db2.gz FMYYGVNJPYTVHW-IPWDFOCMSA-N 1 2 214.700 1.608 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528498706 388531404 /nfs/dbraw/zinc/53/14/04/388531404.db2.gz XPAJVLQFNPBVSI-SSDOTTSWSA-N 1 2 227.333 1.228 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528498706 388531407 /nfs/dbraw/zinc/53/14/07/388531407.db2.gz XPAJVLQFNPBVSI-SSDOTTSWSA-N 1 2 227.333 1.228 20 0 BDADLO CCCn1c(C)nnc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548424915 388536349 /nfs/dbraw/zinc/53/63/49/388536349.db2.gz CTGODBNODIECLX-UWVGGRQHSA-N 1 2 222.336 1.979 20 0 BDADLO CC[C@H](OC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000261546680 388587609 /nfs/dbraw/zinc/58/76/09/388587609.db2.gz LFJRSNKNBQKDGV-QMMMGPOBSA-N 1 2 209.249 1.027 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CC(F)F ZINC000648961839 388587977 /nfs/dbraw/zinc/58/79/77/388587977.db2.gz LIKWQDISKCYNFV-QMMMGPOBSA-N 1 2 231.246 1.291 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000106462436 388595370 /nfs/dbraw/zinc/59/53/70/388595370.db2.gz QCJOYXKMNKZSNU-SNVBAGLBSA-N 1 2 248.330 1.302 20 0 BDADLO COc1cccc2c1CN(C[N@H+](C)C1CC1)C2=O ZINC000530093868 388608101 /nfs/dbraw/zinc/60/81/01/388608101.db2.gz AWOFEBRFJUVWHG-UHFFFAOYSA-N 1 2 246.310 1.703 20 0 BDADLO COc1cccc2c1CN(C[N@@H+](C)C1CC1)C2=O ZINC000530093868 388608102 /nfs/dbraw/zinc/60/81/02/388608102.db2.gz AWOFEBRFJUVWHG-UHFFFAOYSA-N 1 2 246.310 1.703 20 0 BDADLO CCC[C@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OCC ZINC000359759620 388557295 /nfs/dbraw/zinc/55/72/95/388557295.db2.gz VMBZWYQTHMMCEO-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CCCn1ncnc1C[N@H+](C[C@H](C)O)C(C)C ZINC000520961684 388558084 /nfs/dbraw/zinc/55/80/84/388558084.db2.gz PHSWJGVICIUDLY-NSHDSACASA-N 1 2 240.351 1.279 20 0 BDADLO CCCn1ncnc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000520961684 388558087 /nfs/dbraw/zinc/55/80/87/388558087.db2.gz PHSWJGVICIUDLY-NSHDSACASA-N 1 2 240.351 1.279 20 0 BDADLO CC(C)(O)CC[N@H+](CC(F)F)C1CC1 ZINC000360449409 388558320 /nfs/dbraw/zinc/55/83/20/388558320.db2.gz RSJQIVNKAUUCGI-UHFFFAOYSA-N 1 2 207.264 1.877 20 0 BDADLO CC(C)(O)CC[N@@H+](CC(F)F)C1CC1 ZINC000360449409 388558324 /nfs/dbraw/zinc/55/83/24/388558324.db2.gz RSJQIVNKAUUCGI-UHFFFAOYSA-N 1 2 207.264 1.877 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000528730288 388563364 /nfs/dbraw/zinc/56/33/64/388563364.db2.gz FVXKQYIVRCBVIJ-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000528730288 388563366 /nfs/dbraw/zinc/56/33/66/388563366.db2.gz FVXKQYIVRCBVIJ-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC=CCC1 ZINC000548815087 388563766 /nfs/dbraw/zinc/56/37/66/388563766.db2.gz UPQLRUBJPJKPRU-JTQLQIEISA-N 1 2 219.288 1.188 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)C[C@@H]2C)n1C ZINC000528766033 388568721 /nfs/dbraw/zinc/56/87/21/388568721.db2.gz JAQBCELTTRBZPY-QMMMGPOBSA-N 1 2 244.289 1.743 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)n1C ZINC000528766033 388568722 /nfs/dbraw/zinc/56/87/22/388568722.db2.gz JAQBCELTTRBZPY-QMMMGPOBSA-N 1 2 244.289 1.743 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779903 388572413 /nfs/dbraw/zinc/57/24/13/388572413.db2.gz HJZBNVPKEVACSL-AXFHLTTASA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779903 388572415 /nfs/dbraw/zinc/57/24/15/388572415.db2.gz HJZBNVPKEVACSL-AXFHLTTASA-N 1 2 249.351 1.386 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1n[nH]cc1C1CC1 ZINC000648976837 388664973 /nfs/dbraw/zinc/66/49/73/388664973.db2.gz FAHTVOYSWIQPBM-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247738836 388669858 /nfs/dbraw/zinc/66/98/58/388669858.db2.gz WIKMPYOPVCFHKA-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247738836 388669860 /nfs/dbraw/zinc/66/98/60/388669860.db2.gz WIKMPYOPVCFHKA-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCCO2)n1C ZINC000126006698 388686216 /nfs/dbraw/zinc/68/62/16/388686216.db2.gz GLAWZYAYBLHSGH-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCCO2)n1C ZINC000126006698 388686217 /nfs/dbraw/zinc/68/62/17/388686217.db2.gz GLAWZYAYBLHSGH-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)N[C@H](C)CC)CCO1 ZINC000248145849 388674347 /nfs/dbraw/zinc/67/43/47/388674347.db2.gz ZQIMGZXPDVAAQY-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)N[C@H](C)CC)CCO1 ZINC000248145849 388674349 /nfs/dbraw/zinc/67/43/49/388674349.db2.gz ZQIMGZXPDVAAQY-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000613401140 388623243 /nfs/dbraw/zinc/62/32/43/388623243.db2.gz JHVPKPHZHCOBMM-GDNZZTSVSA-N 1 2 245.326 1.580 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000139208312 388631038 /nfs/dbraw/zinc/63/10/38/388631038.db2.gz HBNZLGFJRGZREE-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000139208312 388631040 /nfs/dbraw/zinc/63/10/40/388631040.db2.gz HBNZLGFJRGZREE-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO COC[C@@H]([NH2+]CC(=O)OC(C)(C)C)C(C)C ZINC000083399191 388638853 /nfs/dbraw/zinc/63/88/53/388638853.db2.gz PEKOBSJSSKAZRJ-SNVBAGLBSA-N 1 2 231.336 1.589 20 0 BDADLO CCc1coc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000552043070 388663291 /nfs/dbraw/zinc/66/32/91/388663291.db2.gz UXYPOGTUVCQXFO-LLVKDONJSA-N 1 2 249.314 1.802 20 0 BDADLO CCc1coc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)n1 ZINC000552043070 388663294 /nfs/dbraw/zinc/66/32/94/388663294.db2.gz UXYPOGTUVCQXFO-LLVKDONJSA-N 1 2 249.314 1.802 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000193093593 388757328 /nfs/dbraw/zinc/75/73/28/388757328.db2.gz XLKUOHCOZRISFP-YTWAJWBKSA-N 1 2 239.315 1.095 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CC(F)(F)C1 ZINC000553001419 388743934 /nfs/dbraw/zinc/74/39/34/388743934.db2.gz YRSBBRDVXPYGNX-UHFFFAOYSA-N 1 2 229.230 1.045 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)[nH]1 ZINC000251434511 388747455 /nfs/dbraw/zinc/74/74/55/388747455.db2.gz ASGIFFDIUNXVHU-ZJUUUORDSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)[nH]1 ZINC000251434511 388747456 /nfs/dbraw/zinc/74/74/56/388747456.db2.gz ASGIFFDIUNXVHU-ZJUUUORDSA-N 1 2 238.335 1.224 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000067962932 388749054 /nfs/dbraw/zinc/74/90/54/388749054.db2.gz PQMLMRJHUVGHEH-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000067962932 388749056 /nfs/dbraw/zinc/74/90/56/388749056.db2.gz PQMLMRJHUVGHEH-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000128364605 388751142 /nfs/dbraw/zinc/75/11/42/388751142.db2.gz DZANXZUVWUMFAP-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000128364605 388751145 /nfs/dbraw/zinc/75/11/45/388751145.db2.gz DZANXZUVWUMFAP-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H](CC(=O)N(C)CC(F)F)n1cc[nH+]c1 ZINC000564216924 388751957 /nfs/dbraw/zinc/75/19/57/388751957.db2.gz ZJYCWEPYEZAQNU-MRVPVSSYSA-N 1 2 231.246 1.558 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)CCO1 ZINC000248643480 388687957 /nfs/dbraw/zinc/68/79/57/388687957.db2.gz ZQKYELSFNACZJH-GHMZBOCLSA-N 1 2 221.304 1.648 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2cnccn2)CCO1 ZINC000248643480 388687959 /nfs/dbraw/zinc/68/79/59/388687959.db2.gz ZQKYELSFNACZJH-GHMZBOCLSA-N 1 2 221.304 1.648 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000552374414 388698276 /nfs/dbraw/zinc/69/82/76/388698276.db2.gz WVIMQELWOUIXBQ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000552374414 388698278 /nfs/dbraw/zinc/69/82/78/388698278.db2.gz WVIMQELWOUIXBQ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C)nc1 ZINC000552406879 388703909 /nfs/dbraw/zinc/70/39/09/388703909.db2.gz VDXNQIWRVWEIHZ-CQSZACIVSA-N 1 2 233.359 1.916 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C)nc1 ZINC000552406879 388703910 /nfs/dbraw/zinc/70/39/10/388703910.db2.gz VDXNQIWRVWEIHZ-CQSZACIVSA-N 1 2 233.359 1.916 20 0 BDADLO CCN(c1[nH+]cnc2c1cnn2C)C(C)C ZINC000194120378 388723868 /nfs/dbraw/zinc/72/38/68/388723868.db2.gz CVDKNKZSJRLFIV-UHFFFAOYSA-N 1 2 219.292 1.598 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)o1 ZINC000249573815 388728067 /nfs/dbraw/zinc/72/80/67/388728067.db2.gz OZMACLXOKZITPQ-WPRPVWTQSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)o1 ZINC000249573815 388728069 /nfs/dbraw/zinc/72/80/69/388728069.db2.gz OZMACLXOKZITPQ-WPRPVWTQSA-N 1 2 237.303 1.069 20 0 BDADLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000127727964 388730188 /nfs/dbraw/zinc/73/01/88/388730188.db2.gz RKWJYGXKOPOZCI-WCBMZHEXSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000127727964 388730191 /nfs/dbraw/zinc/73/01/91/388730191.db2.gz RKWJYGXKOPOZCI-WCBMZHEXSA-N 1 2 227.333 1.273 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000067226927 388730753 /nfs/dbraw/zinc/73/07/53/388730753.db2.gz VPZXWDMOJLLIKR-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000067226927 388730755 /nfs/dbraw/zinc/73/07/55/388730755.db2.gz VPZXWDMOJLLIKR-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCn2cccn2)n1 ZINC000554065095 388798055 /nfs/dbraw/zinc/79/80/55/388798055.db2.gz DGARSFPDMUTGRT-SECBINFHSA-N 1 2 235.291 1.268 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCn2cccn2)n1 ZINC000554065095 388798058 /nfs/dbraw/zinc/79/80/58/388798058.db2.gz DGARSFPDMUTGRT-SECBINFHSA-N 1 2 235.291 1.268 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000128934821 388805753 /nfs/dbraw/zinc/80/57/53/388805753.db2.gz IVPZPMACDJMNAG-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000128934821 388805756 /nfs/dbraw/zinc/80/57/56/388805756.db2.gz IVPZPMACDJMNAG-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CCOC2)c1Cl ZINC000227848614 388760480 /nfs/dbraw/zinc/76/04/80/388760480.db2.gz KMLNCMYOIDGQSC-ZCFIWIBFSA-N 1 2 228.683 1.161 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CCOC2)c1Cl ZINC000227848614 388760486 /nfs/dbraw/zinc/76/04/86/388760486.db2.gz KMLNCMYOIDGQSC-ZCFIWIBFSA-N 1 2 228.683 1.161 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCS[C@H](CC)C1 ZINC000128514209 388767825 /nfs/dbraw/zinc/76/78/25/388767825.db2.gz BJRSLLMPVDPGJA-VHSXEESVSA-N 1 2 231.361 1.765 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCS[C@H](CC)C1 ZINC000128514209 388767830 /nfs/dbraw/zinc/76/78/30/388767830.db2.gz BJRSLLMPVDPGJA-VHSXEESVSA-N 1 2 231.361 1.765 20 0 BDADLO O[C@@H]1CC[C@H]2CN(c3cccc[nH+]3)C[C@@H]12 ZINC000228090118 388769357 /nfs/dbraw/zinc/76/93/57/388769357.db2.gz FJTIQVHQKUAAMD-HBNTYKKESA-N 1 2 204.273 1.289 20 0 BDADLO Cc1ncc(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000228848360 388775050 /nfs/dbraw/zinc/77/50/50/388775050.db2.gz RYBSTDKVPCHZHY-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1ncc(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000228848360 388775051 /nfs/dbraw/zinc/77/50/51/388775051.db2.gz RYBSTDKVPCHZHY-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnoc1C ZINC000128657508 388779040 /nfs/dbraw/zinc/77/90/40/388779040.db2.gz MRKKKZLQJQWYGF-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnoc1C ZINC000128657508 388779044 /nfs/dbraw/zinc/77/90/44/388779044.db2.gz MRKKKZLQJQWYGF-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478004 388789845 /nfs/dbraw/zinc/78/98/45/388789845.db2.gz BDOYRVDINGLRTC-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478004 388789849 /nfs/dbraw/zinc/78/98/49/388789849.db2.gz BDOYRVDINGLRTC-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)N(Cc1ccco1)C(=O)Cn1cc[nH+]c1 ZINC000553846554 388791181 /nfs/dbraw/zinc/79/11/81/388791181.db2.gz IFKMKMYRWAVMBK-UHFFFAOYSA-N 1 2 247.298 1.913 20 0 BDADLO Cc1nc(NCC[C@H]2CCOC2)cc[nH+]1 ZINC000230104237 388816002 /nfs/dbraw/zinc/81/60/02/388816002.db2.gz MLNYWDIISZOBHP-JTQLQIEISA-N 1 2 207.277 1.624 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC000554512972 388819043 /nfs/dbraw/zinc/81/90/43/388819043.db2.gz DUIINCBVOQJQRQ-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO CCCC[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000554567386 388822423 /nfs/dbraw/zinc/82/24/23/388822423.db2.gz NAZKLWBCNWKVTB-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093084899 388825469 /nfs/dbraw/zinc/82/54/69/388825469.db2.gz HNZKEUYEEGDXSI-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ncccc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093084899 388825470 /nfs/dbraw/zinc/82/54/70/388825470.db2.gz HNZKEUYEEGDXSI-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c[nH]nc2C)s1 ZINC000230687061 388829187 /nfs/dbraw/zinc/82/91/87/388829187.db2.gz MSVJSINBPROICZ-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cnc(C2CC2)s1 ZINC000523692569 388853343 /nfs/dbraw/zinc/85/33/43/388853343.db2.gz FGKKBLANCWMCNH-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2ccoc2)n1 ZINC000556249293 388873725 /nfs/dbraw/zinc/87/37/25/388873725.db2.gz XRFGGSCDIPMPOI-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnnn1C)c1nccs1 ZINC000129774808 388870952 /nfs/dbraw/zinc/87/09/52/388870952.db2.gz QJTKVMUYTNNCON-SECBINFHSA-N 1 2 237.332 1.513 20 0 BDADLO Cc1cccc2[nH+]cc(CNc3cnn(C)c3)n21 ZINC000564843490 388892870 /nfs/dbraw/zinc/89/28/70/388892870.db2.gz UJSBHDGVNJEBOC-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919802 388897531 /nfs/dbraw/zinc/89/75/31/388897531.db2.gz GOHQGDKPHZDDFL-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919802 388897536 /nfs/dbraw/zinc/89/75/36/388897536.db2.gz GOHQGDKPHZDDFL-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919802 388897541 /nfs/dbraw/zinc/89/75/41/388897541.db2.gz GOHQGDKPHZDDFL-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919802 388897546 /nfs/dbraw/zinc/89/75/46/388897546.db2.gz GOHQGDKPHZDDFL-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564919802 388897551 /nfs/dbraw/zinc/89/75/51/388897551.db2.gz GOHQGDKPHZDDFL-LLVKDONJSA-N 1 2 229.287 1.189 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](F)C2)n(C)n1 ZINC000565099687 388914932 /nfs/dbraw/zinc/91/49/32/388914932.db2.gz MVTBWKXTWSIMOI-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](F)C2)n(C)n1 ZINC000565099687 388914934 /nfs/dbraw/zinc/91/49/34/388914934.db2.gz MVTBWKXTWSIMOI-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(NC(=O)NCCc2c[nH+]cn2C)no1 ZINC000153026772 388922598 /nfs/dbraw/zinc/92/25/98/388922598.db2.gz BCENVLRVMPWQQR-UHFFFAOYSA-N 1 2 249.274 1.081 20 0 BDADLO COCC1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000565224075 388928523 /nfs/dbraw/zinc/92/85/23/388928523.db2.gz ZMJQJDOCFCLBIH-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO CCn1ccnc1CNc1nc(C)[nH+]cc1C ZINC000565224643 388928701 /nfs/dbraw/zinc/92/87/01/388928701.db2.gz LFDQUUYAMKIJJO-UHFFFAOYSA-N 1 2 231.303 1.344 20 0 BDADLO C[C@@H](CC(=O)N1CCC[C@H]1CF)n1cc[nH+]c1 ZINC000565660074 388960111 /nfs/dbraw/zinc/96/01/11/388960111.db2.gz ITDYLTXYIQYSIF-QWRGUYRKSA-N 1 2 239.294 1.795 20 0 BDADLO Cc1ccc[nH+]c1CCCNc1cccnn1 ZINC000565580126 388955825 /nfs/dbraw/zinc/95/58/25/388955825.db2.gz VVUPMSQUCKWBEW-UHFFFAOYSA-N 1 2 228.299 1.647 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H](C)S1(=O)=O ZINC000290642945 132217223 /nfs/dbraw/zinc/21/72/23/132217223.db2.gz FXUBAIZKLQLBHE-NXEZZACHSA-N 1 2 240.328 1.093 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cn2ccsc2n1 ZINC000263864041 388991251 /nfs/dbraw/zinc/99/12/51/388991251.db2.gz XWBYAAXCZGUGAT-UHFFFAOYSA-N 1 2 247.327 1.419 20 0 BDADLO Cc1nnc(NCCNc2cccc[nH+]2)s1 ZINC000265746089 388993047 /nfs/dbraw/zinc/99/30/47/388993047.db2.gz AXKWTFRVSZCQNW-UHFFFAOYSA-N 1 2 235.316 1.766 20 0 BDADLO CO[C@@H](CNc1[nH+]cnc2c1cnn2C)C(C)C ZINC000266777948 388998360 /nfs/dbraw/zinc/99/83/60/388998360.db2.gz ZTLDKHXNAJZKMT-JTQLQIEISA-N 1 2 249.318 1.446 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC=C(C)CC1 ZINC000270387576 389011557 /nfs/dbraw/zinc/01/15/57/389011557.db2.gz XNSBJNSBIAZCDG-UHFFFAOYSA-N 1 2 211.305 1.982 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC=C(C)CC1 ZINC000270387576 389011561 /nfs/dbraw/zinc/01/15/61/389011561.db2.gz XNSBJNSBIAZCDG-UHFFFAOYSA-N 1 2 211.305 1.982 20 0 BDADLO Cc1ocnc1CNc1[nH+]cnc2c1cnn2C ZINC000271304414 389020238 /nfs/dbraw/zinc/02/02/38/389020238.db2.gz HHWSUPDSWNQURD-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO Cc1csc(C2([NH2+][C@@H](C)C(N)=O)CCC2)n1 ZINC000273031877 389037149 /nfs/dbraw/zinc/03/71/49/389037149.db2.gz SHURKODZOTYLHU-QMMMGPOBSA-N 1 2 239.344 1.294 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCCS1 ZINC000273002467 389037733 /nfs/dbraw/zinc/03/77/33/389037733.db2.gz ZTKGAYFJBJRJTC-JTQLQIEISA-N 1 2 239.344 1.620 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000370204490 168201925 /nfs/dbraw/zinc/20/19/25/168201925.db2.gz QQFKFXFJPWBEBH-BMIGLBTASA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000370204490 168201928 /nfs/dbraw/zinc/20/19/28/168201928.db2.gz QQFKFXFJPWBEBH-BMIGLBTASA-N 1 2 231.361 1.199 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000530495298 322816171 /nfs/dbraw/zinc/81/61/71/322816171.db2.gz WHAMTCVDHKDKDW-IRUJWGPZSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccncc1 ZINC000495070190 533393425 /nfs/dbraw/zinc/39/34/25/533393425.db2.gz VBUQADWDVYXNHL-QDOCKXBDSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccncc1 ZINC000495070190 533393429 /nfs/dbraw/zinc/39/34/29/533393429.db2.gz VBUQADWDVYXNHL-QDOCKXBDSA-N 1 2 246.310 1.732 20 0 BDADLO CSC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493660930 533484888 /nfs/dbraw/zinc/48/48/88/533484888.db2.gz NJWIYFQJMHHGIT-IHWYPQMZSA-N 1 2 237.328 1.435 20 0 BDADLO CSCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493750414 533565568 /nfs/dbraw/zinc/56/55/68/533565568.db2.gz GWERVUAOGXBNIJ-ONEGZZNKSA-N 1 2 225.317 1.292 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC000265818432 132183068 /nfs/dbraw/zinc/18/30/68/132183068.db2.gz HJUWQOYYISXOHW-UWVGGRQHSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000266149595 132184369 /nfs/dbraw/zinc/18/43/69/132184369.db2.gz JWIKGCLXGCCEAL-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1nc(N2C[C@H](C)OC[C@H]2C)cc[nH+]1 ZINC000266194712 132184997 /nfs/dbraw/zinc/18/49/97/132184997.db2.gz CEWSDKJEIYKGRO-BDAKNGLRSA-N 1 2 207.277 1.399 20 0 BDADLO C[C@@H]1CCN(c2ncccn2)C[C@@H]1n1cc[nH+]c1 ZINC000268211336 132191738 /nfs/dbraw/zinc/19/17/38/132191738.db2.gz AMKNOISDZQMCFS-NEPJUHHUSA-N 1 2 243.314 1.761 20 0 BDADLO c1ccc(N2CCO[C@H]3CCC[C@H]32)[nH+]c1 ZINC000271638591 132199418 /nfs/dbraw/zinc/19/94/18/132199418.db2.gz PGKFIJUZDKNTJI-MNOVXSKESA-N 1 2 204.273 1.839 20 0 BDADLO CC1=CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000280814209 132210885 /nfs/dbraw/zinc/21/08/85/132210885.db2.gz UDDXENMNHICGEI-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BDADLO CCc1nc(N2CCO[C@H](CC)C2)cc(C)[nH+]1 ZINC000283512702 132212972 /nfs/dbraw/zinc/21/29/72/132212972.db2.gz JPTGPUNGQJMGFU-LLVKDONJSA-N 1 2 235.331 1.963 20 0 BDADLO COCC[C@@H]1COCCN1c1cc[nH+]c(C)n1 ZINC000292360286 132218761 /nfs/dbraw/zinc/21/87/61/132218761.db2.gz OTNDIQROBSKCRQ-LLVKDONJSA-N 1 2 237.303 1.027 20 0 BDADLO C[C@@H]1CCN(c2cnccn2)C[C@@H]1n1cc[nH+]c1 ZINC000134138033 132238470 /nfs/dbraw/zinc/23/84/70/132238470.db2.gz YDNXHJSZCKYQEF-NEPJUHHUSA-N 1 2 243.314 1.761 20 0 BDADLO Cc1cc(N2CC(=O)N[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301649247 132256034 /nfs/dbraw/zinc/25/60/34/132256034.db2.gz RCZKZFXLCWDIAC-WDEREUQCSA-N 1 2 246.314 1.032 20 0 BDADLO Cc1nc(N2CCC(C)(C)CC2)nc(N(C)C)[nH+]1 ZINC000354814623 132270079 /nfs/dbraw/zinc/27/00/79/132270079.db2.gz ZYTWCYCYIULACY-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC(C)(C)CC2)[nH+]1 ZINC000354814623 132270081 /nfs/dbraw/zinc/27/00/81/132270081.db2.gz ZYTWCYCYIULACY-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC000357202449 132273045 /nfs/dbraw/zinc/27/30/45/132273045.db2.gz KCXQSHORYYNHJR-KCJUWKMLSA-N 1 2 246.314 1.473 20 0 BDADLO C[C@H]1C[C@@H]1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000357325269 132273256 /nfs/dbraw/zinc/27/32/56/132273256.db2.gz MPBKFBVNAJHXGF-WDEREUQCSA-N 1 2 248.330 1.381 20 0 BDADLO C[C@H]1C[C@@H]1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000357325269 132273259 /nfs/dbraw/zinc/27/32/59/132273259.db2.gz MPBKFBVNAJHXGF-WDEREUQCSA-N 1 2 248.330 1.381 20 0 BDADLO CSc1cncc(N2CCn3c[nH+]cc3C2)n1 ZINC000357587795 132274134 /nfs/dbraw/zinc/27/41/34/132274134.db2.gz VNWGCSCOHOVEQZ-UHFFFAOYSA-N 1 2 247.327 1.415 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623025 132278981 /nfs/dbraw/zinc/27/89/81/132278981.db2.gz VFKKPOGZIMAOEK-GFCCVEGCSA-N 1 2 248.326 1.370 20 0 BDADLO CO[C@H](C)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623025 132278984 /nfs/dbraw/zinc/27/89/84/132278984.db2.gz VFKKPOGZIMAOEK-GFCCVEGCSA-N 1 2 248.326 1.370 20 0 BDADLO C[C@H]1CN(c2cccc(-n3cc[nH+]c3)n2)CCO1 ZINC000370613268 132285052 /nfs/dbraw/zinc/28/50/52/132285052.db2.gz YFAPYRUQRAPBKG-NSHDSACASA-N 1 2 244.298 1.492 20 0 BDADLO Cc1cc(N2CCCC[C@H]2C[C@@H](C)O)nc[nH+]1 ZINC000310272058 132294542 /nfs/dbraw/zinc/29/45/42/132294542.db2.gz DPTPGMUVSJZMMZ-NEPJUHHUSA-N 1 2 235.331 1.915 20 0 BDADLO Cc1cc[nH+]cc1N1CCN(C(=O)N(C)C)CC1 ZINC000335777931 132448541 /nfs/dbraw/zinc/44/85/41/132448541.db2.gz XRXSIJUMZSWYFL-UHFFFAOYSA-N 1 2 248.330 1.194 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)C[C@H]2C)[nH+]1 ZINC000350703840 133957957 /nfs/dbraw/zinc/95/79/57/133957957.db2.gz VUXZLHZWYBNWHT-APPZFPTMSA-N 1 2 232.287 1.226 20 0 BDADLO CC(C)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000335922400 134007610 /nfs/dbraw/zinc/00/76/10/134007610.db2.gz KMKGCVZXRJFULP-ZDUSSCGKSA-N 1 2 247.342 1.601 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1cccnc1C ZINC000335940653 134016980 /nfs/dbraw/zinc/01/69/80/134016980.db2.gz XHDMIHSYWFEGCH-UHFFFAOYSA-N 1 2 241.294 1.697 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000335945096 134019328 /nfs/dbraw/zinc/01/93/28/134019328.db2.gz WGSMCCDXNKJHQB-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CCN(C)C(=O)C1 ZINC000335945096 134019329 /nfs/dbraw/zinc/01/93/29/134019329.db2.gz WGSMCCDXNKJHQB-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000351973836 134025220 /nfs/dbraw/zinc/02/52/20/134025220.db2.gz GFLHZEQAIZOMEE-LLVKDONJSA-N 1 2 249.314 1.073 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccn(C)n2)CCO1 ZINC000335966097 134028051 /nfs/dbraw/zinc/02/80/51/134028051.db2.gz NDCYDHRDKTVOQU-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccn(C)n2)CCO1 ZINC000335966097 134028052 /nfs/dbraw/zinc/02/80/52/134028052.db2.gz NDCYDHRDKTVOQU-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000336022621 134055827 /nfs/dbraw/zinc/05/58/27/134055827.db2.gz YJBJUWTTWCOAQH-WDEREUQCSA-N 1 2 233.315 1.662 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cn1 ZINC000336030798 134058239 /nfs/dbraw/zinc/05/82/39/134058239.db2.gz ZTKKXNABIKJMPV-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cn1 ZINC000336030798 134058240 /nfs/dbraw/zinc/05/82/40/134058240.db2.gz ZTKKXNABIKJMPV-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000336065851 134070312 /nfs/dbraw/zinc/07/03/12/134070312.db2.gz KEROXMOWDUSNFQ-PHIMTYICSA-N 1 2 243.310 1.886 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccnc2)C[C@@H](C)S1=O ZINC000336089746 134078124 /nfs/dbraw/zinc/07/81/24/134078124.db2.gz SLVKAHGWIHENJG-GHMZBOCLSA-N 1 2 238.356 1.423 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)C[C@H](C)O ZINC000352224168 134109782 /nfs/dbraw/zinc/10/97/82/134109782.db2.gz ZIALRLORPDQEIP-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)C[C@H](C)O ZINC000352224168 134109783 /nfs/dbraw/zinc/10/97/83/134109783.db2.gz ZIALRLORPDQEIP-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000336161391 134111248 /nfs/dbraw/zinc/11/12/48/134111248.db2.gz HMCLCIOILCTNIO-CHWSQXEVSA-N 1 2 233.315 1.737 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000336161391 134111249 /nfs/dbraw/zinc/11/12/49/134111249.db2.gz HMCLCIOILCTNIO-CHWSQXEVSA-N 1 2 233.315 1.737 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc2nccn21 ZINC000336162003 134111448 /nfs/dbraw/zinc/11/14/48/134111448.db2.gz GYTXWFJEVWTDIC-JQWIXIFHSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc2nccn21 ZINC000336162003 134111449 /nfs/dbraw/zinc/11/14/49/134111449.db2.gz GYTXWFJEVWTDIC-JQWIXIFHSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)CN1Cc1cccc2[nH+]ccn21 ZINC000336162003 134111450 /nfs/dbraw/zinc/11/14/50/134111450.db2.gz GYTXWFJEVWTDIC-JQWIXIFHSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)on1 ZINC000336191058 134123187 /nfs/dbraw/zinc/12/31/87/134123187.db2.gz HNCLAFNQSKCNDB-GXFFZTMASA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)on1 ZINC000336191058 134123188 /nfs/dbraw/zinc/12/31/88/134123188.db2.gz HNCLAFNQSKCNDB-GXFFZTMASA-N 1 2 236.315 1.982 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccncc1F ZINC000336211671 134134461 /nfs/dbraw/zinc/13/44/61/134134461.db2.gz FDSQAWCWQJSQOG-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccncc1F ZINC000336211671 134134462 /nfs/dbraw/zinc/13/44/62/134134462.db2.gz FDSQAWCWQJSQOG-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000173988915 134277635 /nfs/dbraw/zinc/27/76/35/134277635.db2.gz JBOVLTTVFFRLJI-SECBINFHSA-N 1 2 232.287 1.007 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000173988915 134277636 /nfs/dbraw/zinc/27/76/36/134277636.db2.gz JBOVLTTVFFRLJI-SECBINFHSA-N 1 2 232.287 1.007 20 0 BDADLO C[C@H]([NH2+]CC(N)=O)c1ncc(-c2ccccc2)o1 ZINC000173823790 134277918 /nfs/dbraw/zinc/27/79/18/134277918.db2.gz AQFFZJIGRVACOS-VIFPVBQESA-N 1 2 245.282 1.478 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)C2CCC2)n1 ZINC000175271385 134286522 /nfs/dbraw/zinc/28/65/22/134286522.db2.gz WNYOCNOARDQXRQ-MRVPVSSYSA-N 1 2 225.292 1.761 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)C2CCC2)n1 ZINC000175271385 134286523 /nfs/dbraw/zinc/28/65/23/134286523.db2.gz WNYOCNOARDQXRQ-MRVPVSSYSA-N 1 2 225.292 1.761 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178822782 134315759 /nfs/dbraw/zinc/31/57/59/134315759.db2.gz WUFFMSOYFXAYDP-RYUDHWBXSA-N 1 2 249.358 1.854 20 0 BDADLO CC[C@@H](SC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000178872834 134316012 /nfs/dbraw/zinc/31/60/12/134316012.db2.gz UXDBASQKWYWAQY-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO Cc1cccn2c(CN3CCO[C@H](C)C3)c[nH+]c12 ZINC000179865523 134324236 /nfs/dbraw/zinc/32/42/36/134324236.db2.gz LYBWKALTAAHQLJ-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000180138762 134327820 /nfs/dbraw/zinc/32/78/20/134327820.db2.gz XBHNBTLQCLABBI-SNVBAGLBSA-N 1 2 225.317 1.151 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000180138762 134327821 /nfs/dbraw/zinc/32/78/21/134327821.db2.gz XBHNBTLQCLABBI-SNVBAGLBSA-N 1 2 225.317 1.151 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180306871 134328879 /nfs/dbraw/zinc/32/88/79/134328879.db2.gz PYZONXXARNBXQG-GRYCIOLGSA-N 1 2 242.363 1.351 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180306871 134328880 /nfs/dbraw/zinc/32/88/80/134328880.db2.gz PYZONXXARNBXQG-GRYCIOLGSA-N 1 2 242.363 1.351 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000182546344 134345900 /nfs/dbraw/zinc/34/59/00/134345900.db2.gz BVONPQMFDZNONK-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+]2CCC3(CCC3)C2)no1 ZINC000182553367 134346026 /nfs/dbraw/zinc/34/60/26/134346026.db2.gz XZRNSHRULZPOCX-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO COCc1nc(C[N@H+]2CCC3(CCC3)C2)no1 ZINC000182553367 134346027 /nfs/dbraw/zinc/34/60/27/134346027.db2.gz XZRNSHRULZPOCX-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOCC1CC1)C(=O)OC ZINC000183664376 134355376 /nfs/dbraw/zinc/35/53/76/134355376.db2.gz JKZAPOLFPCGKQM-JQWIXIFHSA-N 1 2 243.347 1.590 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000184642886 134367087 /nfs/dbraw/zinc/36/70/87/134367087.db2.gz WZEPDZSUIKMXDU-LBPRGKRZSA-N 1 2 242.363 1.117 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000184698252 134368242 /nfs/dbraw/zinc/36/82/42/134368242.db2.gz FIZHARYAHWWKLL-NXEZZACHSA-N 1 2 249.301 1.551 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185558960 134381585 /nfs/dbraw/zinc/38/15/85/134381585.db2.gz RQBJQAURVUGQCC-CMPLNLGQSA-N 1 2 249.310 1.704 20 0 BDADLO CC[C@@H](CSC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227771661 134393795 /nfs/dbraw/zinc/39/37/95/134393795.db2.gz RGQIYVALYVAEPG-UWVGGRQHSA-N 1 2 231.361 1.669 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)on1 ZINC000185933368 134397141 /nfs/dbraw/zinc/39/71/41/134397141.db2.gz AOMPDAQOXUPHKA-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)on1 ZINC000185933368 134397142 /nfs/dbraw/zinc/39/71/42/134397142.db2.gz AOMPDAQOXUPHKA-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000248399877 135005287 /nfs/dbraw/zinc/00/52/87/135005287.db2.gz WLNRUSBEWGPDIY-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000248399877 135005289 /nfs/dbraw/zinc/00/52/89/135005289.db2.gz WLNRUSBEWGPDIY-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@](COC)([NH2+]CC(C)C)C(=O)OC ZINC000070657056 135008662 /nfs/dbraw/zinc/00/86/62/135008662.db2.gz LRVSRBFQWQMPQQ-LLVKDONJSA-N 1 2 217.309 1.200 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000248617145 135017092 /nfs/dbraw/zinc/01/70/92/135017092.db2.gz XGGUSBVNQHFGKR-BDAKNGLRSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000248617145 135017093 /nfs/dbraw/zinc/01/70/93/135017093.db2.gz XGGUSBVNQHFGKR-BDAKNGLRSA-N 1 2 225.292 1.446 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000249732114 135044824 /nfs/dbraw/zinc/04/48/24/135044824.db2.gz BEBWRRHEQLHZEZ-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO Cn1cc[nH+]c1-c1cccc(NC(N)=O)c1 ZINC000077445166 135067167 /nfs/dbraw/zinc/06/71/67/135067167.db2.gz LTNBNBLHBNHGNG-UHFFFAOYSA-N 1 2 216.244 1.578 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccncc1F ZINC000078100182 135093344 /nfs/dbraw/zinc/09/33/44/135093344.db2.gz ZNBRXSZCQRAVQD-UHFFFAOYSA-N 1 2 247.229 1.877 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@H](C)C1 ZINC000253601537 135127359 /nfs/dbraw/zinc/12/73/59/135127359.db2.gz SYXAVTLXIVJRJT-NXEZZACHSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@H](C)C1 ZINC000253601537 135127360 /nfs/dbraw/zinc/12/73/60/135127360.db2.gz SYXAVTLXIVJRJT-NXEZZACHSA-N 1 2 228.336 1.010 20 0 BDADLO Cc1sc([C@H]2COCC[NH2+]2)nc1C1CC1 ZINC000258358925 135131966 /nfs/dbraw/zinc/13/19/66/135131966.db2.gz XATKJMNDHBGGQS-SECBINFHSA-N 1 2 224.329 1.990 20 0 BDADLO O=C(CCC1CCCC1)NCc1c[nH+]c[nH]1 ZINC000084081850 135181579 /nfs/dbraw/zinc/18/15/79/135181579.db2.gz WUNFNNNRDBTVFA-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO O=C(CCC1CCCC1)NCc1c[nH]c[nH+]1 ZINC000084081850 135181581 /nfs/dbraw/zinc/18/15/81/135181581.db2.gz WUNFNNNRDBTVFA-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(Cl)cn1 ZINC000084081804 135182632 /nfs/dbraw/zinc/18/26/32/135182632.db2.gz AJYFFRRNELYZCQ-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(Cl)cn1 ZINC000084081804 135182634 /nfs/dbraw/zinc/18/26/34/135182634.db2.gz AJYFFRRNELYZCQ-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)c(O)c1 ZINC000261553438 135193151 /nfs/dbraw/zinc/19/31/51/135193151.db2.gz SLICZVALYCUPNI-VIFPVBQESA-N 1 2 238.312 1.302 20 0 BDADLO Cc1cc(NC[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000084233362 135193787 /nfs/dbraw/zinc/19/37/87/135193787.db2.gz OPFZPBHOOYRRHS-VHSXEESVSA-N 1 2 207.277 1.358 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)(F)CN)C1(C)C ZINC000261598004 135237022 /nfs/dbraw/zinc/23/70/22/135237022.db2.gz ZHTJLDICDKZYLG-RKDXNWHRSA-N 1 2 236.306 1.374 20 0 BDADLO CC(C)[C@@H]1CCCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261725080 135248100 /nfs/dbraw/zinc/24/81/00/135248100.db2.gz LLIDLIXSWYOYMM-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)[C@@H]1CCCCN1Cc1noc(C[NH3+])n1 ZINC000261725080 135248102 /nfs/dbraw/zinc/24/81/02/135248102.db2.gz LLIDLIXSWYOYMM-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CCc1ccnc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000342364790 135263246 /nfs/dbraw/zinc/26/32/46/135263246.db2.gz BOLCLPKYMRAKGD-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@@H](CO)C1 ZINC000079048924 135268198 /nfs/dbraw/zinc/26/81/98/135268198.db2.gz BIMDTQSACDOTOP-SNVBAGLBSA-N 1 2 231.299 1.392 20 0 BDADLO c1ncn(C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000342612862 135303579 /nfs/dbraw/zinc/30/35/79/135303579.db2.gz HDNXJMUCRBGMNO-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000342784689 135318118 /nfs/dbraw/zinc/31/81/18/135318118.db2.gz VMCHEBJLTHSVHU-PHIMTYICSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN(C)C[C@@H]2CCCCO2)n1C ZINC000342795383 135319779 /nfs/dbraw/zinc/31/97/79/135319779.db2.gz GHQZORWZSNJWJR-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCCO2)n1C ZINC000342795383 135319781 /nfs/dbraw/zinc/31/97/81/135319781.db2.gz GHQZORWZSNJWJR-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCO2)n1C ZINC000342795383 135319782 /nfs/dbraw/zinc/31/97/82/135319782.db2.gz GHQZORWZSNJWJR-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cc(N2CC(CCO)C2)nc(C2CC2)[nH+]1 ZINC000342794682 135320067 /nfs/dbraw/zinc/32/00/67/135320067.db2.gz YMRPSNPYZPGWSE-UHFFFAOYSA-N 1 2 233.315 1.481 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@H]2c2ncc[nH]2)n1C ZINC000342796956 135320356 /nfs/dbraw/zinc/32/03/56/135320356.db2.gz LUPTYXHQRJVVPV-NSHDSACASA-N 1 2 245.330 1.789 20 0 BDADLO Cc1csc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000262919785 135323978 /nfs/dbraw/zinc/32/39/78/135323978.db2.gz GSFHXFWFCCYCBU-ZCFIWIBFSA-N 1 2 247.270 1.387 20 0 BDADLO O=C(Nc1ccccc1O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262941333 135324648 /nfs/dbraw/zinc/32/46/48/135324648.db2.gz IVBGAZIKMDWYBH-QMMMGPOBSA-N 1 2 242.225 1.328 20 0 BDADLO CC[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262980152 135326002 /nfs/dbraw/zinc/32/60/02/135326002.db2.gz MREIIFOFXUNYIT-NXEZZACHSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1c[nH+]c(CN(C)CC[C@@H]2CCCO2)n1C ZINC000342770103 135326143 /nfs/dbraw/zinc/32/61/43/135326143.db2.gz VIYBPJXTYFMGTO-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]cc(C)n2C)C[C@H](C)O1 ZINC000342774392 135327607 /nfs/dbraw/zinc/32/76/07/135327607.db2.gz DFDIFKDIUZNZAR-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC2CC2)C1 ZINC000334276278 135332821 /nfs/dbraw/zinc/33/28/21/135332821.db2.gz COJWDUHOUVFXSD-NSHDSACASA-N 1 2 233.315 1.536 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCSC2)cc[nH+]1 ZINC000334297868 135334906 /nfs/dbraw/zinc/33/49/06/135334906.db2.gz NILFSWVPZOOKJC-VIFPVBQESA-N 1 2 222.313 1.504 20 0 BDADLO CCc1nc(N2CCO[C@@H](OC)C2)cc(C)[nH+]1 ZINC000342943527 135337547 /nfs/dbraw/zinc/33/75/47/135337547.db2.gz GIRQIKZXKZWKSG-GFCCVEGCSA-N 1 2 237.303 1.157 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ncc(F)cc1F ZINC000334304464 135347253 /nfs/dbraw/zinc/34/72/53/135347253.db2.gz CXQQBSSPNBTGJK-UHFFFAOYSA-N 1 2 238.197 1.013 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ncc(F)cc1F ZINC000334304464 135347255 /nfs/dbraw/zinc/34/72/55/135347255.db2.gz CXQQBSSPNBTGJK-UHFFFAOYSA-N 1 2 238.197 1.013 20 0 BDADLO Cc1nc(N2CCC[C@H](F)C2)nc(N(C)C)[nH+]1 ZINC000343036069 135351637 /nfs/dbraw/zinc/35/16/37/135351637.db2.gz YTXCSKSBPHTFPQ-VIFPVBQESA-N 1 2 239.298 1.184 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H](F)C2)[nH+]1 ZINC000343036069 135351638 /nfs/dbraw/zinc/35/16/38/135351638.db2.gz YTXCSKSBPHTFPQ-VIFPVBQESA-N 1 2 239.298 1.184 20 0 BDADLO C[C@H]1CN(C)CC[N@@H+]1Cc1ccncc1 ZINC000334324674 135352746 /nfs/dbraw/zinc/35/27/46/135352746.db2.gz AKPUKOURWUXSHC-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO C[C@H]1CN(C)CC[N@H+]1Cc1ccncc1 ZINC000334324674 135352747 /nfs/dbraw/zinc/35/27/47/135352747.db2.gz AKPUKOURWUXSHC-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334338577 135357343 /nfs/dbraw/zinc/35/73/43/135357343.db2.gz YTBCILACZKOIQZ-SECBINFHSA-N 1 2 231.259 1.110 20 0 BDADLO c1c(CN2CCOCC23CC3)[nH+]c2ccccn12 ZINC000334334393 135362242 /nfs/dbraw/zinc/36/22/42/135362242.db2.gz XKYAWNLDPNPKOH-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H]2C)c[nH+]1 ZINC000334363839 135373415 /nfs/dbraw/zinc/37/34/15/135373415.db2.gz LYGCBPJNBLGYGH-SCZZXKLOSA-N 1 2 221.304 1.884 20 0 BDADLO CSCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000306673731 135376023 /nfs/dbraw/zinc/37/60/23/135376023.db2.gz OHUJELCWUBDBOQ-CYBMUJFWSA-N 1 2 221.391 1.192 20 0 BDADLO CSCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000306673731 135376024 /nfs/dbraw/zinc/37/60/24/135376024.db2.gz OHUJELCWUBDBOQ-CYBMUJFWSA-N 1 2 221.391 1.192 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334376145 135376077 /nfs/dbraw/zinc/37/60/77/135376077.db2.gz VIBGDMGMFJKVIG-RYUDHWBXSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccccc2C)c[nH+]1 ZINC000334376251 135376153 /nfs/dbraw/zinc/37/61/53/135376153.db2.gz DXHNKJUTOUUKFU-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CC(C)N(C(=O)[C@H]1COCC[N@@H+]1C)C1CCC1 ZINC000334378991 135377407 /nfs/dbraw/zinc/37/74/07/135377407.db2.gz HFAYXOHUPNOVBG-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C(=O)[C@H]1COCC[N@H+]1C)C1CCC1 ZINC000334378991 135377408 /nfs/dbraw/zinc/37/74/08/135377408.db2.gz HFAYXOHUPNOVBG-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO CCn1ccnc1C[N@H+](C)CC[C@@H](C)O ZINC000075779881 135391702 /nfs/dbraw/zinc/39/17/02/135391702.db2.gz ORIWMMRWKAJNHT-SNVBAGLBSA-N 1 2 211.309 1.106 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CC[C@@H](C)O ZINC000075779881 135391703 /nfs/dbraw/zinc/39/17/03/135391703.db2.gz ORIWMMRWKAJNHT-SNVBAGLBSA-N 1 2 211.309 1.106 20 0 BDADLO O=C1CC[C@H](Nc2cccc[nH+]2)[C@@H](C2CC2)N1 ZINC000334409738 135391875 /nfs/dbraw/zinc/39/18/75/135391875.db2.gz JDCDYHNAQUGWSW-GXFFZTMASA-N 1 2 231.299 1.551 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000334415195 135397296 /nfs/dbraw/zinc/39/72/96/135397296.db2.gz NNPFCHXYFHWNTB-IUCAKERBSA-N 1 2 244.289 1.853 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000334415195 135397298 /nfs/dbraw/zinc/39/72/98/135397298.db2.gz NNPFCHXYFHWNTB-IUCAKERBSA-N 1 2 244.289 1.853 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000334884730 135848647 /nfs/dbraw/zinc/84/86/47/135848647.db2.gz BYHFCHPCUHHOPX-UWVGGRQHSA-N 1 2 221.304 1.742 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2ncccn2)ccn1 ZINC000347650073 136001034 /nfs/dbraw/zinc/00/10/34/136001034.db2.gz KHMABBMXFKKLTQ-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1ccoc1 ZINC000347650236 136001149 /nfs/dbraw/zinc/00/11/49/136001149.db2.gz DEDKKEQULZPZPQ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000347650236 136001150 /nfs/dbraw/zinc/00/11/50/136001150.db2.gz DEDKKEQULZPZPQ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCC[C@@H](CO)C2)nn1 ZINC000347652626 136001506 /nfs/dbraw/zinc/00/15/06/136001506.db2.gz NGXBKAMFMMAGFK-LLVKDONJSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCC[C@@H](CO)C2)nn1 ZINC000347652626 136001507 /nfs/dbraw/zinc/00/15/07/136001507.db2.gz NGXBKAMFMMAGFK-LLVKDONJSA-N 1 2 238.335 1.063 20 0 BDADLO COCC[N@H+](Cc1ccn(C(F)F)n1)C1CC1 ZINC000347709701 136002805 /nfs/dbraw/zinc/00/28/05/136002805.db2.gz ULNLGVXOJBQPAO-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO COCC[N@@H+](Cc1ccn(C(F)F)n1)C1CC1 ZINC000347709701 136002806 /nfs/dbraw/zinc/00/28/06/136002806.db2.gz ULNLGVXOJBQPAO-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO CCNC(=O)C1C[NH+](Cc2nc(C)cs2)C1 ZINC000347688512 136005218 /nfs/dbraw/zinc/00/52/18/136005218.db2.gz KLBXLEHFYBQDMW-UHFFFAOYSA-N 1 2 239.344 1.019 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CCOC1 ZINC000348026750 136026724 /nfs/dbraw/zinc/02/67/24/136026724.db2.gz SZHCKQSMKPBNRP-GFCCVEGCSA-N 1 2 236.271 1.455 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2C[C@@H]2C(F)F)c1Cl ZINC000348103201 136036744 /nfs/dbraw/zinc/03/67/44/136036744.db2.gz DUGGKNSTJYXLHI-IUYQGCFVSA-N 1 2 234.637 1.778 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2C[C@@H]2C(F)F)c1Cl ZINC000348103201 136036745 /nfs/dbraw/zinc/03/67/45/136036745.db2.gz DUGGKNSTJYXLHI-IUYQGCFVSA-N 1 2 234.637 1.778 20 0 BDADLO CCN(CC(F)F)C(=O)CCn1cc[nH+]c1 ZINC000348134098 136038627 /nfs/dbraw/zinc/03/86/27/136038627.db2.gz DXZHJIJJIDIRLM-UHFFFAOYSA-N 1 2 231.246 1.387 20 0 BDADLO O=C(NCC1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335337311 136044467 /nfs/dbraw/zinc/04/44/67/136044467.db2.gz TZZCWGANPCFMGR-UHFFFAOYSA-N 1 2 248.330 1.709 20 0 BDADLO O=C(NCC1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335337311 136044468 /nfs/dbraw/zinc/04/44/68/136044468.db2.gz TZZCWGANPCFMGR-UHFFFAOYSA-N 1 2 248.330 1.709 20 0 BDADLO CC1(C)CC(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000335321126 136049877 /nfs/dbraw/zinc/04/98/77/136049877.db2.gz HTDXMGFMGQWCQU-UHFFFAOYSA-N 1 2 233.315 1.662 20 0 BDADLO CSC[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335323418 136050757 /nfs/dbraw/zinc/05/07/57/136050757.db2.gz SYMRRCNFRQYUQE-VIFPVBQESA-N 1 2 239.344 1.224 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]cn2)[C@@H]1[C@H]1CCCO1 ZINC000335323979 136051058 /nfs/dbraw/zinc/05/10/58/136051058.db2.gz UOHWGKKRHLEAEI-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@@H]1[C@H]1CCCO1 ZINC000335323979 136051059 /nfs/dbraw/zinc/05/10/59/136051059.db2.gz UOHWGKKRHLEAEI-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc[nH]2)[C@@H]1[C@H]1CCCO1 ZINC000335323979 136051060 /nfs/dbraw/zinc/05/10/60/136051060.db2.gz UOHWGKKRHLEAEI-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@@H]1[C@H]1CCCO1 ZINC000335323979 136051061 /nfs/dbraw/zinc/05/10/61/136051061.db2.gz UOHWGKKRHLEAEI-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO CC(C)OCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348207186 136055200 /nfs/dbraw/zinc/05/52/00/136055200.db2.gz CQYPEGKFZKFRQT-OAHLLOKOSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348207186 136055201 /nfs/dbraw/zinc/05/52/01/136055201.db2.gz CQYPEGKFZKFRQT-OAHLLOKOSA-N 1 2 233.377 1.254 20 0 BDADLO CCCCCS(=O)(=O)N1CC[NH+](CC)CC1 ZINC000348248524 136056585 /nfs/dbraw/zinc/05/65/85/136056585.db2.gz WQRJISNERFATQM-UHFFFAOYSA-N 1 2 248.392 1.144 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cc[nH]c1 ZINC000348238656 136061088 /nfs/dbraw/zinc/06/10/88/136061088.db2.gz DSBMVJXQHHMMAQ-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cn2c(n1)CCC2 ZINC000335345728 136066224 /nfs/dbraw/zinc/06/62/24/136066224.db2.gz PIDGAVIBVOROEC-UHFFFAOYSA-N 1 2 242.282 1.207 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cc(F)c[nH]1 ZINC000348317879 136068511 /nfs/dbraw/zinc/06/85/11/136068511.db2.gz JOBFTGQQNIKCOW-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CC2(CCC2)C1 ZINC000335359782 136075266 /nfs/dbraw/zinc/07/52/66/136075266.db2.gz SXVWTCIDLKNJAF-UHFFFAOYSA-N 1 2 219.288 1.606 20 0 BDADLO CC(C)(C)N1CC[C@@H](Nc2cccc[nH+]2)C1=O ZINC000335382185 136087638 /nfs/dbraw/zinc/08/76/38/136087638.db2.gz ZKZVGUBARYLBHI-SNVBAGLBSA-N 1 2 233.315 1.893 20 0 BDADLO c1ccc(N2CCO[C@@]3(CCSC3)C2)[nH+]c1 ZINC000335390958 136091122 /nfs/dbraw/zinc/09/11/22/136091122.db2.gz TYOYBQLYYMHCGI-LBPRGKRZSA-N 1 2 236.340 1.794 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)NC2CC2)n1 ZINC000348543209 136095509 /nfs/dbraw/zinc/09/55/09/136095509.db2.gz GQFWANFRZLAIIV-LLVKDONJSA-N 1 2 247.342 1.489 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)NC2CC2)n1 ZINC000348543209 136095510 /nfs/dbraw/zinc/09/55/10/136095510.db2.gz GQFWANFRZLAIIV-LLVKDONJSA-N 1 2 247.342 1.489 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC=C(F)C1 ZINC000335555080 136099243 /nfs/dbraw/zinc/09/92/43/136099243.db2.gz ZPQBNXRJCXNZPT-JTQLQIEISA-N 1 2 249.289 1.531 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@@H](O)C[C@H]2C)nn1C ZINC000335556665 136099603 /nfs/dbraw/zinc/09/96/03/136099603.db2.gz BHYOUYPHYMYNER-APPZFPTMSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)nn1C ZINC000335556665 136099604 /nfs/dbraw/zinc/09/96/04/136099604.db2.gz BHYOUYPHYMYNER-APPZFPTMSA-N 1 2 243.738 1.337 20 0 BDADLO CC[C@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000335560002 136100844 /nfs/dbraw/zinc/10/08/44/136100844.db2.gz RATNNXKLYIPHGH-VIFPVBQESA-N 1 2 221.304 1.698 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)[nH]1 ZINC000335583313 136101136 /nfs/dbraw/zinc/10/11/36/136101136.db2.gz DDOUQLPVPIUIBE-IUCAKERBSA-N 1 2 238.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)[nH]1 ZINC000335583313 136101137 /nfs/dbraw/zinc/10/11/37/136101137.db2.gz DDOUQLPVPIUIBE-IUCAKERBSA-N 1 2 238.360 1.618 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367047934 136113208 /nfs/dbraw/zinc/11/32/08/136113208.db2.gz OPPNABHLNKUDTO-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000348635975 136114311 /nfs/dbraw/zinc/11/43/11/136114311.db2.gz PGAQYROPXBRADP-NSHDSACASA-N 1 2 246.314 1.647 20 0 BDADLO CC1(C)CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000440525101 397930337 /nfs/dbraw/zinc/93/03/37/397930337.db2.gz GVJIFABKAMRPSW-UHFFFAOYSA-N 1 2 240.326 1.870 20 0 BDADLO CC1(C)CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440525101 397930343 /nfs/dbraw/zinc/93/03/43/397930343.db2.gz GVJIFABKAMRPSW-UHFFFAOYSA-N 1 2 240.326 1.870 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000649552010 397946008 /nfs/dbraw/zinc/94/60/08/397946008.db2.gz UCZQQQMNNBZHNI-IUCAKERBSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000649552010 397946012 /nfs/dbraw/zinc/94/60/12/397946012.db2.gz UCZQQQMNNBZHNI-IUCAKERBSA-N 1 2 227.333 1.456 20 0 BDADLO C[C@H](CNC(=O)C1(C)CCC1)Cn1cc[nH+]c1 ZINC000267443758 397948166 /nfs/dbraw/zinc/94/81/66/397948166.db2.gz ZFHJVODLUZGQLA-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC2(CCC2)C1 ZINC000268213278 397950102 /nfs/dbraw/zinc/95/01/02/397950102.db2.gz ASVDOWVGZFKBPT-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@H](C)O ZINC000449270316 397954026 /nfs/dbraw/zinc/95/40/26/397954026.db2.gz QCMHGIIOUTWNDL-KXUCPTDWSA-N 1 2 231.336 1.323 20 0 BDADLO COC(=O)c1coc(C[N@H+](C)[C@@H]2CC2(C)C)n1 ZINC000450869251 397967777 /nfs/dbraw/zinc/96/77/77/397967777.db2.gz BBOVCCSVXWNISL-SECBINFHSA-N 1 2 238.287 1.692 20 0 BDADLO COC(=O)c1coc(C[N@@H+](C)[C@@H]2CC2(C)C)n1 ZINC000450869251 397967778 /nfs/dbraw/zinc/96/77/78/397967778.db2.gz BBOVCCSVXWNISL-SECBINFHSA-N 1 2 238.287 1.692 20 0 BDADLO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC(C)(C)C ZINC000590745959 397910468 /nfs/dbraw/zinc/91/04/68/397910468.db2.gz OGVZNVBIFHGYHY-CHWFTXMASA-N 1 2 243.347 1.872 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616266136 397911107 /nfs/dbraw/zinc/91/11/07/397911107.db2.gz OKBDSNVELOZNJK-KWQFWETISA-N 1 2 233.315 1.429 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616266136 397911110 /nfs/dbraw/zinc/91/11/10/397911110.db2.gz OKBDSNVELOZNJK-KWQFWETISA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371559796 397995227 /nfs/dbraw/zinc/99/52/27/397995227.db2.gz KWDAGBWHLXCHBR-GARJFASQSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1cncc(CC[N@H+]2CCOC[C@@H]2C)n1 ZINC000649619279 398001531 /nfs/dbraw/zinc/00/15/31/398001531.db2.gz GHPXDYXKHLPFMG-NSHDSACASA-N 1 2 221.304 1.048 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000649619279 398001535 /nfs/dbraw/zinc/00/15/35/398001535.db2.gz GHPXDYXKHLPFMG-NSHDSACASA-N 1 2 221.304 1.048 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC2CCC1CC2 ZINC000383850670 398045763 /nfs/dbraw/zinc/04/57/63/398045763.db2.gz LYBZAKRREIYSDQ-RTYFJBAXSA-N 1 2 233.315 1.852 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC2CCC1CC2 ZINC000383850670 398045767 /nfs/dbraw/zinc/04/57/67/398045767.db2.gz LYBZAKRREIYSDQ-RTYFJBAXSA-N 1 2 233.315 1.852 20 0 BDADLO COC(=O)C[N@H+](CCn1cc(C)cn1)C(C)C ZINC000303029844 398005486 /nfs/dbraw/zinc/00/54/86/398005486.db2.gz LZZIUTOUOJUHCP-UHFFFAOYSA-N 1 2 239.319 1.075 20 0 BDADLO COC(=O)C[N@@H+](CCn1cc(C)cn1)C(C)C ZINC000303029844 398005494 /nfs/dbraw/zinc/00/54/94/398005494.db2.gz LZZIUTOUOJUHCP-UHFFFAOYSA-N 1 2 239.319 1.075 20 0 BDADLO CCc1cc[nH+]cc1NCc1cnnn1CC ZINC000650243437 398006409 /nfs/dbraw/zinc/00/64/09/398006409.db2.gz YLDLRYKXBOFCDH-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO COCc1cc[nH+]c(NCc2cn(C)nc2C)c1 ZINC000650243989 398006708 /nfs/dbraw/zinc/00/67/08/398006708.db2.gz XZDNABMBSIPLIG-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CCn1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)cn1 ZINC000649629422 398010049 /nfs/dbraw/zinc/01/00/49/398010049.db2.gz FMITUPNKTUIGSR-JTQLQIEISA-N 1 2 247.302 1.689 20 0 BDADLO COC(=O)C[C@H](C)SCCn1cc[nH+]c1 ZINC000085160676 398048202 /nfs/dbraw/zinc/04/82/02/398048202.db2.gz GRXVXADDUGUKTI-VIFPVBQESA-N 1 2 228.317 1.568 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000277548477 398031407 /nfs/dbraw/zinc/03/14/07/398031407.db2.gz QVGTWBUZQVGXSI-MGPLVRAMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)o1 ZINC000277548477 398031409 /nfs/dbraw/zinc/03/14/09/398031409.db2.gz QVGTWBUZQVGXSI-MGPLVRAMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000277548473 398031512 /nfs/dbraw/zinc/03/15/12/398031512.db2.gz QVGTWBUZQVGXSI-HWPZZCPQSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)o1 ZINC000277548473 398031515 /nfs/dbraw/zinc/03/15/15/398031515.db2.gz QVGTWBUZQVGXSI-HWPZZCPQSA-N 1 2 241.356 1.788 20 0 BDADLO COC[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493699838 397971774 /nfs/dbraw/zinc/97/17/74/397971774.db2.gz ZBQZBUIDOGLEBT-WYGGZMRJSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1nonc1C[N@H+](C)CCCn1ccnc1 ZINC000271731439 397972057 /nfs/dbraw/zinc/97/20/57/397972057.db2.gz UELUQORJWMGPPQ-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO Cc1nonc1C[N@@H+](C)CCCn1ccnc1 ZINC000271731439 397972059 /nfs/dbraw/zinc/97/20/59/397972059.db2.gz UELUQORJWMGPPQ-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1csnn1 ZINC000554889101 397974978 /nfs/dbraw/zinc/97/49/78/397974978.db2.gz GDZHLWKFWOBAFO-JTQLQIEISA-N 1 2 229.349 1.377 20 0 BDADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1csnn1 ZINC000554889101 397974981 /nfs/dbraw/zinc/97/49/81/397974981.db2.gz GDZHLWKFWOBAFO-JTQLQIEISA-N 1 2 229.349 1.377 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(CO)cc1)C1CC1 ZINC000272385455 397978790 /nfs/dbraw/zinc/97/87/90/397978790.db2.gz WUJLYRQPEACPKX-UHFFFAOYSA-N 1 2 249.310 1.316 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(CO)cc1)C1CC1 ZINC000272385455 397978794 /nfs/dbraw/zinc/97/87/94/397978794.db2.gz WUJLYRQPEACPKX-UHFFFAOYSA-N 1 2 249.310 1.316 20 0 BDADLO Cc1noc(CCC[N@@H+]2CCC=C(F)C2)n1 ZINC000272393775 397979306 /nfs/dbraw/zinc/97/93/06/397979306.db2.gz DBOZHNHLXTUNGZ-UHFFFAOYSA-N 1 2 225.267 1.870 20 0 BDADLO Cc1noc(CCC[N@H+]2CCC=C(F)C2)n1 ZINC000272393775 397979312 /nfs/dbraw/zinc/97/93/12/397979312.db2.gz DBOZHNHLXTUNGZ-UHFFFAOYSA-N 1 2 225.267 1.870 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000353174729 397988350 /nfs/dbraw/zinc/98/83/50/397988350.db2.gz QFSOBYNRDKADHS-DGCLKSJQSA-N 1 2 237.347 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000353174729 397988351 /nfs/dbraw/zinc/98/83/51/397988351.db2.gz QFSOBYNRDKADHS-DGCLKSJQSA-N 1 2 237.347 1.701 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nncn1C ZINC000649717218 398062814 /nfs/dbraw/zinc/06/28/14/398062814.db2.gz ZIGZDAVUQUYXOS-JTQLQIEISA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nncn1C ZINC000649717218 398062818 /nfs/dbraw/zinc/06/28/18/398062818.db2.gz ZIGZDAVUQUYXOS-JTQLQIEISA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)NC(C)C ZINC000649722010 398065730 /nfs/dbraw/zinc/06/57/30/398065730.db2.gz GYOOCRWZMXIUQA-NEPJUHHUSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)NC(C)C ZINC000649722010 398065737 /nfs/dbraw/zinc/06/57/37/398065737.db2.gz GYOOCRWZMXIUQA-NEPJUHHUSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1nocc1C[NH2+][C@H](C)c1ccon1 ZINC000339350917 398070640 /nfs/dbraw/zinc/07/06/40/398070640.db2.gz ZWOJSVPEASIRSG-MRVPVSSYSA-N 1 2 207.233 1.822 20 0 BDADLO CCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283511384 398074718 /nfs/dbraw/zinc/07/47/18/398074718.db2.gz PVOBXQBYXYBKGP-AATRIKPKSA-N 1 2 207.277 1.681 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc[nH]n2)[C@@H](C)CO1 ZINC000649736735 398078883 /nfs/dbraw/zinc/07/88/83/398078883.db2.gz IAEPCAVPUJCVAN-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](C)CO1 ZINC000649736735 398078887 /nfs/dbraw/zinc/07/88/87/398078887.db2.gz IAEPCAVPUJCVAN-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)ncn2)[C@@H](C)CO1 ZINC000649736777 398078915 /nfs/dbraw/zinc/07/89/15/398078915.db2.gz JAQAUMUFARRFHK-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)[C@@H](C)CO1 ZINC000649736777 398078917 /nfs/dbraw/zinc/07/89/17/398078917.db2.gz JAQAUMUFARRFHK-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CCn1ncnc1C[N@H+](CC)[C@@H]1CCCOC1 ZINC000649755452 398086607 /nfs/dbraw/zinc/08/66/07/398086607.db2.gz OEXVISVANMCSGU-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](CC)[C@@H]1CCCOC1 ZINC000649755452 398086610 /nfs/dbraw/zinc/08/66/10/398086610.db2.gz OEXVISVANMCSGU-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCc1nc(C[N@@H+](CC)[C@H]2CCCOC2)no1 ZINC000649758724 398088533 /nfs/dbraw/zinc/08/85/33/398088533.db2.gz VGPINNARRUVQGX-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+](CC)[C@H]2CCCOC2)no1 ZINC000649758724 398088535 /nfs/dbraw/zinc/08/85/35/398088535.db2.gz VGPINNARRUVQGX-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCC1(C)CN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000291633241 398054021 /nfs/dbraw/zinc/05/40/21/398054021.db2.gz FRYUQMYEGVDSEH-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCn2cnnc2C1 ZINC000280192979 398054189 /nfs/dbraw/zinc/05/41/89/398054189.db2.gz IAEJCNQJQIHBCN-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCn2cnnc2C1 ZINC000280192979 398054192 /nfs/dbraw/zinc/05/41/92/398054192.db2.gz IAEJCNQJQIHBCN-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)c1nn(C)cc1NCc1[nH]cc[nH+]1 ZINC000280194934 398054947 /nfs/dbraw/zinc/05/49/47/398054947.db2.gz DJEVVCHHFVCISA-UHFFFAOYSA-N 1 2 219.292 1.879 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1ccccc1F ZINC000384826541 398107932 /nfs/dbraw/zinc/10/79/32/398107932.db2.gz SFABQNCYEZDFGQ-NXEZZACHSA-N 1 2 237.274 1.464 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1ccccc1F ZINC000384826541 398107934 /nfs/dbraw/zinc/10/79/34/398107934.db2.gz SFABQNCYEZDFGQ-NXEZZACHSA-N 1 2 237.274 1.464 20 0 BDADLO c1nnc([C@@H]([NH2+]C2CCCC2)c2cccnc2)[nH]1 ZINC000293945572 398118716 /nfs/dbraw/zinc/11/87/16/398118716.db2.gz YZBDCNOSPORVAV-LBPRGKRZSA-N 1 2 243.314 1.821 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C(C)C)CC1 ZINC000294039257 398121312 /nfs/dbraw/zinc/12/13/12/398121312.db2.gz XEZOYXMQJZZDJS-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1(C(C)C)CC1 ZINC000294039257 398121315 /nfs/dbraw/zinc/12/13/15/398121315.db2.gz XEZOYXMQJZZDJS-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO CCOC[C@@H](Nc1nc(C)[nH+]c(N)n1)C(C)C ZINC000310285216 398130592 /nfs/dbraw/zinc/13/05/92/398130592.db2.gz XNALPZOKFZGTMC-SECBINFHSA-N 1 2 239.323 1.235 20 0 BDADLO CCOC[C@@H](Nc1nc(N)nc(C)[nH+]1)C(C)C ZINC000310285216 398130595 /nfs/dbraw/zinc/13/05/95/398130595.db2.gz XNALPZOKFZGTMC-SECBINFHSA-N 1 2 239.323 1.235 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)OCC23CCC3)n1 ZINC000649821471 398122316 /nfs/dbraw/zinc/12/23/16/398122316.db2.gz IYWWXOICSQBZJF-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)n1 ZINC000649821471 398122317 /nfs/dbraw/zinc/12/23/17/398122317.db2.gz IYWWXOICSQBZJF-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)CCO1 ZINC000066492605 398123166 /nfs/dbraw/zinc/12/31/66/398123166.db2.gz YHWXFKFMIXRMOQ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)CCO1 ZINC000066492605 398123170 /nfs/dbraw/zinc/12/31/70/398123170.db2.gz YHWXFKFMIXRMOQ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000272020650 167020420 /nfs/dbraw/zinc/02/04/20/167020420.db2.gz MQCGWEMFWODSSL-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cccn1C ZINC000093773355 167168876 /nfs/dbraw/zinc/16/88/76/167168876.db2.gz QOLWISGYDQXCLN-LLVKDONJSA-N 1 2 238.331 1.797 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cccn1C ZINC000093773355 167168879 /nfs/dbraw/zinc/16/88/79/167168879.db2.gz QOLWISGYDQXCLN-LLVKDONJSA-N 1 2 238.331 1.797 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2nccc(=O)[nH]2)C1 ZINC001226325322 974856500 /nfs/dbraw/zinc/85/65/00/974856500.db2.gz ZYSJYYQWDWPOAZ-UHFFFAOYSA-N 1 2 223.276 1.044 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cc(C)ncn2)no1 ZINC000685651247 487570924 /nfs/dbraw/zinc/57/09/24/487570924.db2.gz TYHSLHOKQCLUPV-JTQLQIEISA-N 1 2 232.287 1.932 20 0 BDADLO C[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)[C@H]1C ZINC000674413374 487571642 /nfs/dbraw/zinc/57/16/42/487571642.db2.gz IHYNNRJHKRDJLO-MNOVXSKESA-N 1 2 243.314 1.897 20 0 BDADLO CC(C)OCCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336709017 167212891 /nfs/dbraw/zinc/21/28/91/167212891.db2.gz PLBKJPLFDIKHOK-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)OCCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336709017 167212894 /nfs/dbraw/zinc/21/28/94/167212894.db2.gz PLBKJPLFDIKHOK-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cc(C)nc(C)n1 ZINC000556429589 322912048 /nfs/dbraw/zinc/91/20/48/322912048.db2.gz QCBPQMMEFHZPBP-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC000674513064 487586381 /nfs/dbraw/zinc/58/63/81/487586381.db2.gz FWFQVGJFFYHFLN-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO CC(C)OC[C@@H](O)COc1cc[nH+]cc1 ZINC000356094382 167261701 /nfs/dbraw/zinc/26/17/01/167261701.db2.gz LDCCHVYGMAUQIP-SNVBAGLBSA-N 1 2 211.261 1.246 20 0 BDADLO Cc1noc([C@H](C)[NH2+]C(C)(C)c2cnn(C)c2)n1 ZINC000680422981 487591211 /nfs/dbraw/zinc/59/12/11/487591211.db2.gz DKLFLLXOXFKKJR-QMMMGPOBSA-N 1 2 249.318 1.697 20 0 BDADLO Cc1ccccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000685913964 487596097 /nfs/dbraw/zinc/59/60/97/487596097.db2.gz FLTCQGMQKSWQTF-UHFFFAOYSA-N 1 2 237.284 1.519 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CCC1 ZINC000661412761 487598240 /nfs/dbraw/zinc/59/82/40/487598240.db2.gz JBKABMPYGYUREH-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CCC1 ZINC000661412761 487598245 /nfs/dbraw/zinc/59/82/45/487598245.db2.gz JBKABMPYGYUREH-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO O[C@@H]1CC[N@H+](CCCCF)CC1(F)F ZINC000661413402 487600911 /nfs/dbraw/zinc/60/09/11/487600911.db2.gz NKOXYFGEHMJHMK-MRVPVSSYSA-N 1 2 211.227 1.438 20 0 BDADLO O[C@@H]1CC[N@@H+](CCCCF)CC1(F)F ZINC000661413402 487600918 /nfs/dbraw/zinc/60/09/18/487600918.db2.gz NKOXYFGEHMJHMK-MRVPVSSYSA-N 1 2 211.227 1.438 20 0 BDADLO Cn1c[nH+]cc1CSc1nnc2ccccn21 ZINC000674646661 487601323 /nfs/dbraw/zinc/60/13/23/487601323.db2.gz LFEYJWXBAFVDNC-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000677959320 487602516 /nfs/dbraw/zinc/60/25/16/487602516.db2.gz MDVYMYCONUYYKR-ZJUUUORDSA-N 1 2 234.303 1.112 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccon1)CC2 ZINC000680474900 487602668 /nfs/dbraw/zinc/60/26/68/487602668.db2.gz HXCIACTUIFHGSR-UHFFFAOYSA-N 1 2 247.258 1.227 20 0 BDADLO CC(C)SCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000376693701 167324518 /nfs/dbraw/zinc/32/45/18/167324518.db2.gz IGUKTTIJUMATPG-SECBINFHSA-N 1 2 239.331 1.830 20 0 BDADLO CC(C)SCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000376693701 167324521 /nfs/dbraw/zinc/32/45/21/167324521.db2.gz IGUKTTIJUMATPG-SECBINFHSA-N 1 2 239.331 1.830 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2cscn2)n1 ZINC000653889216 487608769 /nfs/dbraw/zinc/60/87/69/487608769.db2.gz VOCIUXWBZAHHLZ-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2cscn2)n1 ZINC000653889216 487608772 /nfs/dbraw/zinc/60/87/72/487608772.db2.gz VOCIUXWBZAHHLZ-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC=CC1 ZINC000655227325 409642504 /nfs/dbraw/zinc/64/25/04/409642504.db2.gz KHQKRAYVOCKUQZ-UHFFFAOYSA-N 1 2 219.288 1.486 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1(C)CC=CC1 ZINC000655227325 409642514 /nfs/dbraw/zinc/64/25/14/409642514.db2.gz KHQKRAYVOCKUQZ-UHFFFAOYSA-N 1 2 219.288 1.486 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2csnn2)C[C@@H]1C ZINC000660719617 409644014 /nfs/dbraw/zinc/64/40/14/409644014.db2.gz DFYAIAQEODHTEL-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1C ZINC000660719617 409644021 /nfs/dbraw/zinc/64/40/21/409644021.db2.gz DFYAIAQEODHTEL-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCC2CCCC2)C1 ZINC000660732244 409674719 /nfs/dbraw/zinc/67/47/19/409674719.db2.gz MDWLEBYSWVTSHF-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)c1cnn(C)c1 ZINC000655333801 409909823 /nfs/dbraw/zinc/90/98/23/409909823.db2.gz DEZBCTTXMJAZHW-UHFFFAOYSA-N 1 2 247.302 1.047 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)c1ccco1)c1[nH]cc[nH+]1 ZINC000655401795 410205805 /nfs/dbraw/zinc/20/58/05/410205805.db2.gz FRYTZKPZKCUFBZ-DTWKUNHWSA-N 1 2 233.271 1.984 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)c1[nH]cc[nH+]1)n1cccn1 ZINC000655401952 410205858 /nfs/dbraw/zinc/20/58/58/410205858.db2.gz IVSNOTWAFRFSIP-NXEZZACHSA-N 1 2 247.302 1.435 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171479 410318567 /nfs/dbraw/zinc/31/85/67/410318567.db2.gz OTBBKKMJESNBNS-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171479 410318576 /nfs/dbraw/zinc/31/85/76/410318576.db2.gz OTBBKKMJESNBNS-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@](C)(C2CC2)C1 ZINC000661171479 410318580 /nfs/dbraw/zinc/31/85/80/410318580.db2.gz OTBBKKMJESNBNS-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)Nc1cnccn1 ZINC000663976288 410415049 /nfs/dbraw/zinc/41/50/49/410415049.db2.gz ZDMFUSSWSGCBOK-VIFPVBQESA-N 1 2 217.276 1.866 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000650805513 410511176 /nfs/dbraw/zinc/51/11/76/410511176.db2.gz CBVGXWCNMJPKRQ-LLVKDONJSA-N 1 2 247.298 1.629 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000650805513 410511178 /nfs/dbraw/zinc/51/11/78/410511178.db2.gz CBVGXWCNMJPKRQ-LLVKDONJSA-N 1 2 247.298 1.629 20 0 BDADLO CC[C@H](C)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664228520 410521510 /nfs/dbraw/zinc/52/15/10/410521510.db2.gz PASKKPWJAWNTBK-QMMMGPOBSA-N 1 2 248.334 1.794 20 0 BDADLO OC/C=C\CNc1cc(NC2CC2)[nH+]cn1 ZINC000664237119 410523196 /nfs/dbraw/zinc/52/31/96/410523196.db2.gz RJNWVAWPQVGOMK-UPHRSURJSA-N 1 2 220.276 1.011 20 0 BDADLO OC/C=C\CNc1cc(NC2CC2)nc[nH+]1 ZINC000664237119 410523199 /nfs/dbraw/zinc/52/31/99/410523199.db2.gz RJNWVAWPQVGOMK-UPHRSURJSA-N 1 2 220.276 1.011 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@]1(C)CC1(F)F ZINC000664395741 410575801 /nfs/dbraw/zinc/57/58/01/410575801.db2.gz GPCKHICVZHOJQF-SECBINFHSA-N 1 2 244.245 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@]1(C)CC1(F)F ZINC000664395741 410575807 /nfs/dbraw/zinc/57/58/07/410575807.db2.gz GPCKHICVZHOJQF-SECBINFHSA-N 1 2 244.245 1.525 20 0 BDADLO Cc1nc(NC[C@H](CO)CC2CC2)cc[nH+]1 ZINC000664463911 410586450 /nfs/dbraw/zinc/58/64/50/410586450.db2.gz XOMLTOGQMGYGCF-LLVKDONJSA-N 1 2 221.304 1.606 20 0 BDADLO O[C@H]1CCN(c2cccc[nH+]2)CC1(F)F ZINC000664258194 410540114 /nfs/dbraw/zinc/54/01/14/410540114.db2.gz JOWIJGOVWIUPHG-QMMMGPOBSA-N 1 2 214.215 1.288 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CC12CC2)c1[nH+]ccn1C ZINC000661337597 410554863 /nfs/dbraw/zinc/55/48/63/410554863.db2.gz SQDLNIBWNDVQFE-IUCAKERBSA-N 1 2 234.303 1.333 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C)C1=O ZINC000661550256 410747054 /nfs/dbraw/zinc/74/70/54/410747054.db2.gz WVJRWOXTESHHGY-NXEZZACHSA-N 1 2 221.304 1.077 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651223391 410869583 /nfs/dbraw/zinc/86/95/83/410869583.db2.gz FHVPQPCMGCNEIT-NSHDSACASA-N 1 2 247.342 1.630 20 0 BDADLO CC(C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074903714 167068251 /nfs/dbraw/zinc/06/82/51/167068251.db2.gz YNOHAAOQLYMWLA-UHFFFAOYSA-N 1 2 236.319 1.707 20 0 BDADLO CC(C)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000186437345 167120590 /nfs/dbraw/zinc/12/05/90/167120590.db2.gz BVHZSOLIFLPZIS-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC(C)OC(=O)[C@H](C)N(C)Cc1c[nH+]cn1C ZINC000129960116 167170230 /nfs/dbraw/zinc/17/02/30/167170230.db2.gz XAGDJSKXBZJNRO-JTQLQIEISA-N 1 2 239.319 1.192 20 0 BDADLO CC(C)OCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000273189605 167203542 /nfs/dbraw/zinc/20/35/42/167203542.db2.gz LIXGWIYQKYMLJO-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CC(C)OCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367631820 167244622 /nfs/dbraw/zinc/24/46/22/167244622.db2.gz FUHGOCFTVRCVFO-LLVKDONJSA-N 1 2 223.320 1.802 20 0 BDADLO CC(C)[C@@H](C)CC(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000363627892 167357939 /nfs/dbraw/zinc/35/79/39/167357939.db2.gz PZGRPFNSOSLTMS-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294381171 167385748 /nfs/dbraw/zinc/38/57/48/167385748.db2.gz MBXJZWAPHBUYIJ-NXEZZACHSA-N 1 2 238.335 1.726 20 0 BDADLO CC(C)[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294381171 167385749 /nfs/dbraw/zinc/38/57/49/167385749.db2.gz MBXJZWAPHBUYIJ-NXEZZACHSA-N 1 2 238.335 1.726 20 0 BDADLO CC(C)[C@@H](NC(=O)C1CC1)c1[nH]cc[nH+]1 ZINC000331928423 167425326 /nfs/dbraw/zinc/42/53/26/167425326.db2.gz QKNXIQSQSSXWLL-SECBINFHSA-N 1 2 207.277 1.633 20 0 BDADLO CNc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616927382 410988778 /nfs/dbraw/zinc/98/87/78/410988778.db2.gz HLHLWUSNAQEZLO-UHFFFAOYSA-N 1 2 245.286 1.119 20 0 BDADLO CNc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616927382 410988783 /nfs/dbraw/zinc/98/87/83/410988783.db2.gz HLHLWUSNAQEZLO-UHFFFAOYSA-N 1 2 245.286 1.119 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000644794022 411068252 /nfs/dbraw/zinc/06/82/52/411068252.db2.gz HMJIBCJKVZUTDA-UWVGGRQHSA-N 1 2 231.299 1.114 20 0 BDADLO CCc1cc(N2C[C@@H](O)CC[C@@H]2C)nc(C)[nH+]1 ZINC000399308493 411033165 /nfs/dbraw/zinc/03/31/65/411033165.db2.gz ANXHUBVVQWIEEI-CABZTGNLSA-N 1 2 235.331 1.697 20 0 BDADLO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccn[nH]1 ZINC000651672407 411134913 /nfs/dbraw/zinc/13/49/13/411134913.db2.gz ZVDHZBWWYRJQDL-NSHDSACASA-N 1 2 225.336 1.951 20 0 BDADLO c1c2cnccc2oc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000651815604 411145094 /nfs/dbraw/zinc/14/50/94/411145094.db2.gz BMRACSMCMDGVAG-YPMHNXCESA-N 1 2 230.267 1.801 20 0 BDADLO c1c2cnccc2oc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000651815604 411145095 /nfs/dbraw/zinc/14/50/95/411145095.db2.gz BMRACSMCMDGVAG-YPMHNXCESA-N 1 2 230.267 1.801 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)CCO1 ZINC000045753432 411148669 /nfs/dbraw/zinc/14/86/69/411148669.db2.gz NTJAWMAPPHXIDS-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)CCO1 ZINC000045753432 411148670 /nfs/dbraw/zinc/14/86/70/411148670.db2.gz NTJAWMAPPHXIDS-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@H](CC)OC[C@H]2C)cn1 ZINC000651932225 411150771 /nfs/dbraw/zinc/15/07/71/411150771.db2.gz OFDDEIOPWRQQHT-YPMHNXCESA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@H](CC)OC[C@H]2C)cn1 ZINC000651932225 411150772 /nfs/dbraw/zinc/15/07/72/411150772.db2.gz OFDDEIOPWRQQHT-YPMHNXCESA-N 1 2 235.331 1.983 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2conc2C)[C@H](C)CO1 ZINC000651932244 411150783 /nfs/dbraw/zinc/15/07/83/411150783.db2.gz OUDGMPJVDRFBBN-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2conc2C)[C@H](C)CO1 ZINC000651932244 411150784 /nfs/dbraw/zinc/15/07/84/411150784.db2.gz OUDGMPJVDRFBBN-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nnc[nH]1)C1CCC1 ZINC000659992090 411158478 /nfs/dbraw/zinc/15/84/78/411158478.db2.gz ASZITTIJVZXVKA-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nnc[nH]1)C1CCC1 ZINC000659992090 411158483 /nfs/dbraw/zinc/15/84/83/411158483.db2.gz ASZITTIJVZXVKA-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO O[C@]1(C2CC2)CCC[N@H+](Cc2csnn2)C1 ZINC000661626133 411090471 /nfs/dbraw/zinc/09/04/71/411090471.db2.gz AKFPFRBPBWWUPV-LLVKDONJSA-N 1 2 239.344 1.275 20 0 BDADLO O[C@]1(C2CC2)CCC[N@@H+](Cc2csnn2)C1 ZINC000661626133 411090475 /nfs/dbraw/zinc/09/04/75/411090475.db2.gz AKFPFRBPBWWUPV-LLVKDONJSA-N 1 2 239.344 1.275 20 0 BDADLO COCc1cc[nH+]c(NCc2cocn2)c1 ZINC000652068086 411105303 /nfs/dbraw/zinc/10/53/03/411105303.db2.gz QYVJMXGPADIDPZ-UHFFFAOYSA-N 1 2 219.244 1.828 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCOC2)c1 ZINC000652069109 411106625 /nfs/dbraw/zinc/10/66/25/411106625.db2.gz ZYSTUQNKQLUMIV-SNVBAGLBSA-N 1 2 208.261 1.429 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000047461842 411121928 /nfs/dbraw/zinc/12/19/28/411121928.db2.gz ZOFFRDNXIRQPCD-MNOVXSKESA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000047461842 411121930 /nfs/dbraw/zinc/12/19/30/411121930.db2.gz ZOFFRDNXIRQPCD-MNOVXSKESA-N 1 2 248.326 1.395 20 0 BDADLO CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC000651576016 411125120 /nfs/dbraw/zinc/12/51/20/411125120.db2.gz RRJIPYPJGIPHID-UHFFFAOYSA-N 1 2 247.342 1.821 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)C2CCCC2)co1 ZINC000659878903 411173946 /nfs/dbraw/zinc/17/39/46/411173946.db2.gz PBDISKABMZVVFD-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)C2CCCC2)co1 ZINC000659878903 411173950 /nfs/dbraw/zinc/17/39/50/411173950.db2.gz PBDISKABMZVVFD-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO COCCCNc1nc[nH+]c(C)c1OC ZINC000656103954 411178995 /nfs/dbraw/zinc/17/89/95/411178995.db2.gz VDTWSYJQCRNXQZ-UHFFFAOYSA-N 1 2 211.265 1.242 20 0 BDADLO COc1c(C)ncnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000656108172 411179521 /nfs/dbraw/zinc/17/95/21/411179521.db2.gz SSQCUANGRFXCTR-SECBINFHSA-N 1 2 247.302 1.491 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)Cn1cncn1 ZINC000657955456 411180544 /nfs/dbraw/zinc/18/05/44/411180544.db2.gz MTWXLCWDNATHIR-SECBINFHSA-N 1 2 233.275 1.182 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CCCOC1 ZINC000656110965 411180915 /nfs/dbraw/zinc/18/09/15/411180915.db2.gz ZRTRETQRNMRISF-SNVBAGLBSA-N 1 2 237.303 1.632 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1(O)CCC1 ZINC000656122955 411182462 /nfs/dbraw/zinc/18/24/62/411182462.db2.gz PPQJANQSFCINBA-UHFFFAOYSA-N 1 2 223.276 1.121 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1(C)COC1 ZINC000656125451 411183315 /nfs/dbraw/zinc/18/33/15/411183315.db2.gz NIOBAPHUSGFYDG-UHFFFAOYSA-N 1 2 223.276 1.242 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CCSC1 ZINC000656128798 411183773 /nfs/dbraw/zinc/18/37/73/411183773.db2.gz BFBLLRFOMWXRPI-MRVPVSSYSA-N 1 2 225.317 1.711 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](O)C(C)C ZINC000656128524 411184176 /nfs/dbraw/zinc/18/41/76/411184176.db2.gz WMTLJMSKIZFVTC-VIFPVBQESA-N 1 2 225.292 1.222 20 0 BDADLO COC[C@@H]1CCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656128505 411184421 /nfs/dbraw/zinc/18/44/21/411184421.db2.gz VBYIBDMXYKPEDJ-SNVBAGLBSA-N 1 2 237.303 1.266 20 0 BDADLO CC[C@@H](O)CCNc1nc[nH+]c(C)c1OC ZINC000656147384 411186318 /nfs/dbraw/zinc/18/63/18/411186318.db2.gz PIUGRZVPGUDJIE-SECBINFHSA-N 1 2 225.292 1.367 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC1CC=CC1 ZINC000656146679 411186322 /nfs/dbraw/zinc/18/63/22/411186322.db2.gz JXRHRGIBVSPXEM-UHFFFAOYSA-N 1 2 230.275 1.076 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CC[C@H](O)CC1 ZINC000656149630 411186734 /nfs/dbraw/zinc/18/67/34/411186734.db2.gz FMGJQCXTKPOUIV-MGCOHNPYSA-N 1 2 237.303 1.509 20 0 BDADLO CCOCCN(C)c1nc[nH+]c(C)c1OC ZINC000656152532 411187380 /nfs/dbraw/zinc/18/73/80/411187380.db2.gz OWQLZLBEYGEJKO-UHFFFAOYSA-N 1 2 225.292 1.266 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)CO)CS1 ZINC000655757690 411189191 /nfs/dbraw/zinc/18/91/91/411189191.db2.gz XMEMAYBBAIZUQV-HTQZYQBOSA-N 1 2 225.304 1.488 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@H](O)C1(C)C ZINC000656165195 411189404 /nfs/dbraw/zinc/18/94/04/411189404.db2.gz ZZTAQFFPSPEEID-BDAKNGLRSA-N 1 2 237.303 1.365 20 0 BDADLO COC[C@@H](O)C[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830982 411195450 /nfs/dbraw/zinc/19/54/50/411195450.db2.gz QDODFUXJACFVPI-JTQLQIEISA-N 1 2 243.253 1.288 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC2(CCO2)CC1 ZINC000656184938 411195848 /nfs/dbraw/zinc/19/58/48/411195848.db2.gz BEDKIZJKVORDJF-UHFFFAOYSA-N 1 2 249.314 1.553 20 0 BDADLO COCC(C)(C)CNc1nc[nH+]c(C)c1OC ZINC000656191024 411197346 /nfs/dbraw/zinc/19/73/46/411197346.db2.gz ZZSHDPBMVJJXSB-UHFFFAOYSA-N 1 2 239.319 1.878 20 0 BDADLO CCc1nnc(CNc2nc[nH+]c(C)c2OC)[nH]1 ZINC000656192703 411198544 /nfs/dbraw/zinc/19/85/44/411198544.db2.gz VUSZLSTUEDQBOW-UHFFFAOYSA-N 1 2 248.290 1.086 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CC[C@@H](CO)C1 ZINC000656194385 411199400 /nfs/dbraw/zinc/19/94/00/411199400.db2.gz JJBSORSVIKQFKJ-ZJUUUORDSA-N 1 2 237.303 1.367 20 0 BDADLO COc1c(C)ncnc1NCCc1cn(C)c[nH+]1 ZINC000656199099 411201508 /nfs/dbraw/zinc/20/15/08/411201508.db2.gz LZHQMDGXLWWLAV-UHFFFAOYSA-N 1 2 247.302 1.182 20 0 BDADLO COCC1(CNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000656212824 411212069 /nfs/dbraw/zinc/21/20/69/411212069.db2.gz GRXBECILMCXNLQ-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO COCC1(CNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000656212824 411212072 /nfs/dbraw/zinc/21/20/72/411212072.db2.gz GRXBECILMCXNLQ-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO Cc1ccn2cc(CNC(=O)C3CC3)[nH+]c2c1 ZINC000048750332 411212898 /nfs/dbraw/zinc/21/28/98/411212898.db2.gz JZYNEFIMYWTMPS-UHFFFAOYSA-N 1 2 229.283 1.669 20 0 BDADLO Cc1nc(N(C[C@@H](C)O)C2CC2)cc[nH+]1 ZINC000656230970 411215442 /nfs/dbraw/zinc/21/54/42/411215442.db2.gz ZMLBZMSGMMPZAU-MRVPVSSYSA-N 1 2 207.277 1.135 20 0 BDADLO CCc1nc(N(C)Cc2nc(C)no2)cc(C)[nH+]1 ZINC000656226521 411215573 /nfs/dbraw/zinc/21/55/73/411215573.db2.gz HTMUNGJWYSGFHP-UHFFFAOYSA-N 1 2 247.302 1.675 20 0 BDADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)s1 ZINC000653901914 411216120 /nfs/dbraw/zinc/21/61/20/411216120.db2.gz GKLBASPPVUUVIP-SSDOTTSWSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@H+](C[C@@H](C)O)C2CC2)s1 ZINC000653901914 411216122 /nfs/dbraw/zinc/21/61/22/411216122.db2.gz GKLBASPPVUUVIP-SSDOTTSWSA-N 1 2 227.333 1.192 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653902561 411217593 /nfs/dbraw/zinc/21/75/93/411217593.db2.gz WLMNFAMMFAMHQM-SNVBAGLBSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653902561 411217594 /nfs/dbraw/zinc/21/75/94/411217594.db2.gz WLMNFAMMFAMHQM-SNVBAGLBSA-N 1 2 238.335 1.204 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000653902901 411218910 /nfs/dbraw/zinc/21/89/10/411218910.db2.gz ACJOQPQMLGBUEL-ZCFIWIBFSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000653902901 411218912 /nfs/dbraw/zinc/21/89/12/411218912.db2.gz ACJOQPQMLGBUEL-ZCFIWIBFSA-N 1 2 247.245 1.352 20 0 BDADLO Cc1ncc(C[NH+]2CC3(CC3(F)F)C2)cn1 ZINC000656265915 411221014 /nfs/dbraw/zinc/22/10/14/411221014.db2.gz NVRXULQTZIFKRR-UHFFFAOYSA-N 1 2 225.242 1.626 20 0 BDADLO CC/C=C/CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652396219 411225301 /nfs/dbraw/zinc/22/53/01/411225301.db2.gz FXKXSTJOFDNGSV-HWKANZROSA-N 1 2 247.342 1.844 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1nc(C)no1 ZINC000656277742 411227545 /nfs/dbraw/zinc/22/75/45/411227545.db2.gz CMOYVFBQMZKLHA-UHFFFAOYSA-N 1 2 235.291 1.226 20 0 BDADLO Cc1nnccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652412000 411234359 /nfs/dbraw/zinc/23/43/59/411234359.db2.gz GYCUHIILUWKTNI-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO C[C@@H](CNc1[nH+]cccc1C(=O)[O-])C[NH+](C)C ZINC000310429209 411236142 /nfs/dbraw/zinc/23/61/42/411236142.db2.gz PUBAATCIARMBQK-VIFPVBQESA-N 1 2 237.303 1.389 20 0 BDADLO C[C@H](CNc1[nH+]cccc1C(=O)[O-])C[NH+](C)C ZINC000310429208 411236297 /nfs/dbraw/zinc/23/62/97/411236297.db2.gz PUBAATCIARMBQK-SECBINFHSA-N 1 2 237.303 1.389 20 0 BDADLO Cn1cc[nH+]c1-c1ccc(C(=O)NC2CC2)cc1 ZINC000656371849 411237752 /nfs/dbraw/zinc/23/77/52/411237752.db2.gz YNCIWFHVYFIOTB-UHFFFAOYSA-N 1 2 241.294 1.979 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)CS1 ZINC000655712460 411266427 /nfs/dbraw/zinc/26/64/27/411266427.db2.gz OAYKJBNRXHGPHB-WCBMZHEXSA-N 1 2 211.334 1.783 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCn3ccnc32)on1 ZINC000655715901 411269178 /nfs/dbraw/zinc/26/91/78/411269178.db2.gz JMQIMEKVJBCTHT-NSHDSACASA-N 1 2 232.287 1.804 20 0 BDADLO CCc1ccncc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000652897353 411269986 /nfs/dbraw/zinc/26/99/86/411269986.db2.gz OVXZIXIFKLRRMO-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO CCc1ccncc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000652897335 411270035 /nfs/dbraw/zinc/27/00/35/411270035.db2.gz OLJPOROMVGVMCP-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO CCc1ccncc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000652897335 411270038 /nfs/dbraw/zinc/27/00/38/411270038.db2.gz OLJPOROMVGVMCP-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC(C)(C)C2)[nH]1 ZINC000658159036 411272235 /nfs/dbraw/zinc/27/22/35/411272235.db2.gz MPSYECDJDUBSFI-VIFPVBQESA-N 1 2 238.335 1.619 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658168145 411278463 /nfs/dbraw/zinc/27/84/63/411278463.db2.gz HEJSOSSODMCAIB-GMSGAONNSA-N 1 2 245.273 1.793 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc3n(n2)CCCC3)cn1 ZINC000655720046 411287993 /nfs/dbraw/zinc/28/79/93/411287993.db2.gz OGZXLCMLRYFTNA-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ncn1 ZINC000649769628 411295156 /nfs/dbraw/zinc/29/51/56/411295156.db2.gz VDWCYRRYQZBWOF-SNVBAGLBSA-N 1 2 245.286 1.571 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCn3ccnc32)[nH]n1 ZINC000655722369 411295239 /nfs/dbraw/zinc/29/52/39/411295239.db2.gz DLUVBNGTWJMWOP-LLVKDONJSA-N 1 2 231.303 1.539 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@@H]1CCC[C@H](O)C1)CC2 ZINC000660240413 411303635 /nfs/dbraw/zinc/30/36/35/411303635.db2.gz CXTDLCJCPPNMJC-OLZOCXBDSA-N 1 2 249.358 1.558 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@@H]1CCC[C@H](O)C1)CC2 ZINC000660240413 411303637 /nfs/dbraw/zinc/30/36/37/411303637.db2.gz CXTDLCJCPPNMJC-OLZOCXBDSA-N 1 2 249.358 1.558 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC3(CC3)C2)c(C)o1 ZINC000660244950 411304672 /nfs/dbraw/zinc/30/46/72/411304672.db2.gz VSQMIWPURJZALL-UHFFFAOYSA-N 1 2 236.315 1.904 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC3(CC3)C2)c(C)o1 ZINC000660244950 411304674 /nfs/dbraw/zinc/30/46/74/411304674.db2.gz VSQMIWPURJZALL-UHFFFAOYSA-N 1 2 236.315 1.904 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000357671593 167906705 /nfs/dbraw/zinc/90/67/05/167906705.db2.gz HKPUHPIPUKPQRW-SECBINFHSA-N 1 2 234.299 1.974 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)no1 ZINC000661829915 411317322 /nfs/dbraw/zinc/31/73/22/411317322.db2.gz DXIAPYWBYHXKIN-SFGNSQDASA-N 1 2 237.303 1.332 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402875337 411320086 /nfs/dbraw/zinc/32/00/86/411320086.db2.gz BVFJDWJBGGYIHJ-GRYCIOLGSA-N 1 2 245.326 1.937 20 0 BDADLO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccn(C)n2)C1 ZINC000658287166 411323663 /nfs/dbraw/zinc/32/36/63/411323663.db2.gz WVUBZJAIGFPGHX-VXGBXAGGSA-N 1 2 236.363 1.555 20 0 BDADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C2(CCC2)CO1 ZINC000652880888 411249593 /nfs/dbraw/zinc/24/95/93/411249593.db2.gz MRUFZZCLCCAHCN-NSHDSACASA-N 1 2 249.314 1.053 20 0 BDADLO CCc1nnc([C@H](C)N(C)Cc2[nH+]ccn2C)[nH]1 ZINC000660135112 411253089 /nfs/dbraw/zinc/25/30/89/411253089.db2.gz BQCIBPHKLWCLBT-VIFPVBQESA-N 1 2 248.334 1.294 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000660136439 411253951 /nfs/dbraw/zinc/25/39/51/411253951.db2.gz ACXDKEOLQIJWDO-CYBMUJFWSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000660136439 411253955 /nfs/dbraw/zinc/25/39/55/411253955.db2.gz ACXDKEOLQIJWDO-CYBMUJFWSA-N 1 2 243.314 1.579 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc2c1CCC2 ZINC000656440487 411258994 /nfs/dbraw/zinc/25/89/94/411258994.db2.gz OCOVREKXJSXLBJ-OKILXGFUSA-N 1 2 244.338 1.934 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc2c1CCC2 ZINC000656440487 411258996 /nfs/dbraw/zinc/25/89/96/411258996.db2.gz OCOVREKXJSXLBJ-OKILXGFUSA-N 1 2 244.338 1.934 20 0 BDADLO c1nn[nH]c1CC[NH+]1CCC2(CC2)CC1 ZINC000660144299 411259232 /nfs/dbraw/zinc/25/92/32/411259232.db2.gz CZAKTYAMGPJFHT-UHFFFAOYSA-N 1 2 206.293 1.223 20 0 BDADLO CCCCCNC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660145394 411260302 /nfs/dbraw/zinc/26/03/02/411260302.db2.gz QORSJECMDNDWGH-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOCC2)c(C)o1 ZINC000659858544 411349579 /nfs/dbraw/zinc/34/95/79/411349579.db2.gz BALGZQSUSMOPLJ-UHFFFAOYSA-N 1 2 210.277 1.514 20 0 BDADLO Cc1nc(C[N@H+]2CCCOCC2)c(C)o1 ZINC000659858544 411349582 /nfs/dbraw/zinc/34/95/82/411349582.db2.gz BALGZQSUSMOPLJ-UHFFFAOYSA-N 1 2 210.277 1.514 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc2c(n1)CCC2 ZINC000654210665 411352683 /nfs/dbraw/zinc/35/26/83/411352683.db2.gz MOEGRLIQHOLQOM-UHFFFAOYSA-N 1 2 242.282 1.406 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](COC)OC ZINC000659869261 411355294 /nfs/dbraw/zinc/35/52/94/411355294.db2.gz UERZEZDYUYQGIZ-SECBINFHSA-N 1 2 225.279 1.625 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](COC)OC ZINC000659869261 411355298 /nfs/dbraw/zinc/35/52/98/411355298.db2.gz UERZEZDYUYQGIZ-SECBINFHSA-N 1 2 225.279 1.625 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000403732599 411356959 /nfs/dbraw/zinc/35/69/59/411356959.db2.gz BBXUCRUMPZLDAT-IUCAKERBSA-N 1 2 241.360 1.555 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000403732599 411356962 /nfs/dbraw/zinc/35/69/62/411356962.db2.gz BBXUCRUMPZLDAT-IUCAKERBSA-N 1 2 241.360 1.555 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(n1)OCCO2 ZINC000656780627 411358595 /nfs/dbraw/zinc/35/85/95/411358595.db2.gz UCHAVLPJLYZHEE-UHFFFAOYSA-N 1 2 246.270 1.198 20 0 BDADLO Cc1cc(C[N@@H+](C(C)C)C2COC2)nc(C)n1 ZINC000660646529 411370561 /nfs/dbraw/zinc/37/05/61/411370561.db2.gz CNSKELJDPIBXLR-UHFFFAOYSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@H+](C(C)C)C2COC2)nc(C)n1 ZINC000660646529 411370564 /nfs/dbraw/zinc/37/05/64/411370564.db2.gz CNSKELJDPIBXLR-UHFFFAOYSA-N 1 2 235.331 1.703 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000120512421 411334194 /nfs/dbraw/zinc/33/41/94/411334194.db2.gz FFCVRSHBQJQLRK-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000120512421 411334196 /nfs/dbraw/zinc/33/41/96/411334196.db2.gz FFCVRSHBQJQLRK-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661967645 411335396 /nfs/dbraw/zinc/33/53/96/411335396.db2.gz QYPNPSQXCLSRDT-FXBDTBDDSA-N 1 2 206.293 1.516 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661967645 411335397 /nfs/dbraw/zinc/33/53/97/411335397.db2.gz QYPNPSQXCLSRDT-FXBDTBDDSA-N 1 2 206.293 1.516 20 0 BDADLO CCC(=O)CCCN1CCn2c[nH+]cc2C1 ZINC000660583020 411337033 /nfs/dbraw/zinc/33/70/33/411337033.db2.gz DIZYXLWAJONWBY-UHFFFAOYSA-N 1 2 221.304 1.458 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(C2CC2)no1 ZINC000659845955 411339708 /nfs/dbraw/zinc/33/97/08/411339708.db2.gz CQXZVVJEJFOUEA-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000659845955 411339713 /nfs/dbraw/zinc/33/97/13/411339713.db2.gz CQXZVVJEJFOUEA-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000658335729 411343478 /nfs/dbraw/zinc/34/34/78/411343478.db2.gz FTPRUGVEOUKYSI-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CC1(C2CC2)CC[NH+](Cc2c[nH]nn2)CC1 ZINC000336256912 168015446 /nfs/dbraw/zinc/01/54/46/168015446.db2.gz QIGZNVHCSPHKRW-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO CC1(C2CC2)CC[NH+](Cc2cnn[nH]2)CC1 ZINC000336256912 168015448 /nfs/dbraw/zinc/01/54/48/168015448.db2.gz QIGZNVHCSPHKRW-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO CC1(C2CC2)CC[NH+](Cc2cn[nH]n2)CC1 ZINC000336256912 168015449 /nfs/dbraw/zinc/01/54/49/168015449.db2.gz QIGZNVHCSPHKRW-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO CC1(CC(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000288840390 168016816 /nfs/dbraw/zinc/01/68/16/168016816.db2.gz JQYBIZXLQXIFQS-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000276592147 168055078 /nfs/dbraw/zinc/05/50/78/168055078.db2.gz NDKMKUWWFOYUIK-NSCUHMNNSA-N 1 2 235.287 1.108 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000363784133 168058781 /nfs/dbraw/zinc/05/87/81/168058781.db2.gz WEFMXMDFMGFYLS-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CC1=CCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000281430630 168100267 /nfs/dbraw/zinc/10/02/67/168100267.db2.gz SJDJMJOEXBGCFC-UHFFFAOYSA-N 1 2 222.292 1.288 20 0 BDADLO CC1=CCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000281430630 168100269 /nfs/dbraw/zinc/10/02/69/168100269.db2.gz SJDJMJOEXBGCFC-UHFFFAOYSA-N 1 2 222.292 1.288 20 0 BDADLO Cc1ccnc(C[N@H+]2CC=C(C)CC2)n1 ZINC000336556136 168114701 /nfs/dbraw/zinc/11/47/01/168114701.db2.gz MDCNJWQQEVDGGC-UHFFFAOYSA-N 1 2 203.289 1.937 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000336556136 168114702 /nfs/dbraw/zinc/11/47/02/168114702.db2.gz MDCNJWQQEVDGGC-UHFFFAOYSA-N 1 2 203.289 1.937 20 0 BDADLO CC1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284312166 168138695 /nfs/dbraw/zinc/13/86/95/168138695.db2.gz HHNKAXAWOQXARU-NSCUHMNNSA-N 1 2 205.261 1.338 20 0 BDADLO CC1CC(NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000271783230 168140002 /nfs/dbraw/zinc/14/00/02/168140002.db2.gz LWNUIYITBPLBKI-UHFFFAOYSA-N 1 2 236.319 1.360 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2ncccc2O)CC1 ZINC000136080173 168178883 /nfs/dbraw/zinc/17/88/83/168178883.db2.gz XORFLTHCPMNTHG-UHFFFAOYSA-N 1 2 249.314 1.458 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cc3n(n2)CCCC3)o1 ZINC000655780749 411388208 /nfs/dbraw/zinc/38/82/08/411388208.db2.gz GWEJQKZOSAXZPA-UHFFFAOYSA-N 1 2 246.314 1.806 20 0 BDADLO CN1CC[C@H]([N@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000659944959 411390188 /nfs/dbraw/zinc/39/01/88/411390188.db2.gz QIWGJCSZHWRJFT-LBPRGKRZSA-N 1 2 249.314 1.215 20 0 BDADLO CN1CC[C@H]([N@@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000659944959 411390192 /nfs/dbraw/zinc/39/01/92/411390192.db2.gz QIWGJCSZHWRJFT-LBPRGKRZSA-N 1 2 249.314 1.215 20 0 BDADLO CCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068571939 168233295 /nfs/dbraw/zinc/23/32/95/168233295.db2.gz BQOAKDJOTOUMEE-UHFFFAOYSA-N 1 2 217.272 1.669 20 0 BDADLO Cc1csc(C[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC000657301581 411455266 /nfs/dbraw/zinc/45/52/66/411455266.db2.gz JINXQZMJOUHALF-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO CCC(C)(CC)NC(=O)CCn1cc[nH+]c1 ZINC000353631921 168307095 /nfs/dbraw/zinc/30/70/95/168307095.db2.gz PSFAEDITBFKTHW-UHFFFAOYSA-N 1 2 223.320 1.968 20 0 BDADLO Cc1csc(CNCc2[nH]cc(C)[nH+]2)n1 ZINC000657302557 411456726 /nfs/dbraw/zinc/45/67/26/411456726.db2.gz YYOUFOLJJFTBMW-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1ccc(NCc2cnn(C)n2)c[nH+]1 ZINC000293284344 411393876 /nfs/dbraw/zinc/39/38/76/411393876.db2.gz OHGYIJSSZLDJMN-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000659814075 411461079 /nfs/dbraw/zinc/46/10/79/411461079.db2.gz MLSKRGHSMKJCBV-DTORHVGOSA-N 1 2 226.276 1.292 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000659814075 411461082 /nfs/dbraw/zinc/46/10/82/411461082.db2.gz MLSKRGHSMKJCBV-DTORHVGOSA-N 1 2 226.276 1.292 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC=CC1 ZINC000654895570 411461184 /nfs/dbraw/zinc/46/11/84/411461184.db2.gz ZUAXKEXYPWSZED-VIFPVBQESA-N 1 2 219.288 1.423 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC=CC1 ZINC000654895570 411461188 /nfs/dbraw/zinc/46/11/88/411461188.db2.gz ZUAXKEXYPWSZED-VIFPVBQESA-N 1 2 219.288 1.423 20 0 BDADLO Cc1ccc[nH+]c1CCNc1ncncc1Cl ZINC000404684360 411404026 /nfs/dbraw/zinc/40/40/26/411404026.db2.gz KKTWRBBLWIJHTA-UHFFFAOYSA-N 1 2 248.717 1.910 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000660329446 411417555 /nfs/dbraw/zinc/41/75/55/411417555.db2.gz BGCZXQVLXIZAQB-KXUCPTDWSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](O)[C@H](C)C2)[nH]1 ZINC000660329446 411417558 /nfs/dbraw/zinc/41/75/58/411417558.db2.gz BGCZXQVLXIZAQB-KXUCPTDWSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654635308 411421450 /nfs/dbraw/zinc/42/14/50/411421450.db2.gz UAEDSPSIVSQZSY-SSDOTTSWSA-N 1 2 248.286 1.832 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654635308 411421453 /nfs/dbraw/zinc/42/14/53/411421453.db2.gz UAEDSPSIVSQZSY-SSDOTTSWSA-N 1 2 248.286 1.832 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653561635 411421707 /nfs/dbraw/zinc/42/17/07/411421707.db2.gz MNLUUIFODWLFAK-SECBINFHSA-N 1 2 223.324 1.412 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653561635 411421708 /nfs/dbraw/zinc/42/17/08/411421708.db2.gz MNLUUIFODWLFAK-SECBINFHSA-N 1 2 223.324 1.412 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc[nH]c1=O ZINC000654654561 411422994 /nfs/dbraw/zinc/42/29/94/411422994.db2.gz AJQHJGGOCUNFBA-QMMMGPOBSA-N 1 2 246.270 1.328 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc[nH]c1=O ZINC000654654561 411422996 /nfs/dbraw/zinc/42/29/96/411422996.db2.gz AJQHJGGOCUNFBA-QMMMGPOBSA-N 1 2 246.270 1.328 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1occc1C ZINC000271156776 411427756 /nfs/dbraw/zinc/42/77/56/411427756.db2.gz NTUTYLUMVIQQTO-UHFFFAOYSA-N 1 2 211.261 1.583 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1occc1C ZINC000271156776 411427759 /nfs/dbraw/zinc/42/77/59/411427759.db2.gz NTUTYLUMVIQQTO-UHFFFAOYSA-N 1 2 211.261 1.583 20 0 BDADLO CCC[C@](C)([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000272391853 411433643 /nfs/dbraw/zinc/43/36/43/411433643.db2.gz HHDDKCUJZNKEEI-ZDUSSCGKSA-N 1 2 238.331 1.847 20 0 BDADLO Cc1ncc(NC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000654705896 411433897 /nfs/dbraw/zinc/43/38/97/411433897.db2.gz RRKKSKLFPAIAJB-UHFFFAOYSA-N 1 2 234.303 1.065 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ccccn2)n1 ZINC000657285411 411444832 /nfs/dbraw/zinc/44/48/32/411444832.db2.gz CEBFEORILNLEGZ-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnn2CC2CC2)no1 ZINC000657329830 411467349 /nfs/dbraw/zinc/46/73/49/411467349.db2.gz OPYLOKUQVIUTJS-UHFFFAOYSA-N 1 2 246.314 1.879 20 0 BDADLO Cc1ccc(CNc2[nH+]cnc3c2cnn3C)o1 ZINC000053039667 411474635 /nfs/dbraw/zinc/47/46/35/411474635.db2.gz FUQDWCQBXGKKPL-UHFFFAOYSA-N 1 2 243.270 1.877 20 0 BDADLO CC[C@@H](NC(=O)c1ccc(OC)o1)c1[nH]cc[nH+]1 ZINC000655003263 411474663 /nfs/dbraw/zinc/47/46/63/411474663.db2.gz QYGNPQYXMAPJQP-MRVPVSSYSA-N 1 2 249.270 1.892 20 0 BDADLO CC[N@H+](Cc1nc(C)c(C)o1)[C@@H]1CCOC1 ZINC000336681276 169935242 /nfs/dbraw/zinc/93/52/42/169935242.db2.gz YAYOXTKEKKRDPW-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[N@@H+](Cc1nc(C)c(C)o1)[C@@H]1CCOC1 ZINC000336681276 169935244 /nfs/dbraw/zinc/93/52/44/169935244.db2.gz YAYOXTKEKKRDPW-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC1(C)CC[NH+](CCc2cnn[nH]2)CC1 ZINC000659870585 411483868 /nfs/dbraw/zinc/48/38/68/411483868.db2.gz DQAUXLHYBFPWLK-UHFFFAOYSA-N 1 2 208.309 1.469 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H]2CCc3cn[nH]c3C2)n1 ZINC000657394026 411492622 /nfs/dbraw/zinc/49/26/22/411492622.db2.gz IQXFIVXFUIXOKX-SNVBAGLBSA-N 1 2 231.303 1.088 20 0 BDADLO Cc1c[nH]c(CNc2ccn(CC(F)F)n2)[nH+]1 ZINC000657397050 411493858 /nfs/dbraw/zinc/49/38/58/411493858.db2.gz LLNKHWQMLZYNOQ-UHFFFAOYSA-N 1 2 241.245 1.792 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)cs1 ZINC000655107577 411496003 /nfs/dbraw/zinc/49/60/03/411496003.db2.gz ZWIXJPKXMXJOJZ-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@@H](C)O1 ZINC000659918626 411498057 /nfs/dbraw/zinc/49/80/57/411498057.db2.gz LVTNXDRAZXPVGL-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@@H](C)O1 ZINC000659918626 411498059 /nfs/dbraw/zinc/49/80/59/411498059.db2.gz LVTNXDRAZXPVGL-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000659918626 411498061 /nfs/dbraw/zinc/49/80/61/411498061.db2.gz LVTNXDRAZXPVGL-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1cn[nH]c1 ZINC000657419170 411501534 /nfs/dbraw/zinc/50/15/34/411501534.db2.gz RHKKSJNZDYKDHT-VIFPVBQESA-N 1 2 246.318 1.577 20 0 BDADLO COc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)o1 ZINC000655135063 411501984 /nfs/dbraw/zinc/50/19/84/411501984.db2.gz ZQBMRZMXALQEMI-UHFFFAOYSA-N 1 2 249.270 1.676 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C(C)(C)CO)c2[nH+]ccn21 ZINC000655134859 411502073 /nfs/dbraw/zinc/50/20/73/411502073.db2.gz QQBRSRJDRDTFRP-IUCAKERBSA-N 1 2 237.303 1.024 20 0 BDADLO Cn1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)n1 ZINC000657423169 411503203 /nfs/dbraw/zinc/50/32/03/411503203.db2.gz XIDQXMQITMVRKE-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO CC[C@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000659935733 411503490 /nfs/dbraw/zinc/50/34/90/411503490.db2.gz MAJWPKROSIAJIP-NSHDSACASA-N 1 2 222.336 1.859 20 0 BDADLO CC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000659935733 411503492 /nfs/dbraw/zinc/50/34/92/411503492.db2.gz MAJWPKROSIAJIP-NSHDSACASA-N 1 2 222.336 1.859 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000383386968 411506487 /nfs/dbraw/zinc/50/64/87/411506487.db2.gz IOQTYLHCISDPQT-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000383386968 411506488 /nfs/dbraw/zinc/50/64/88/411506488.db2.gz IOQTYLHCISDPQT-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000659949836 411508528 /nfs/dbraw/zinc/50/85/28/411508528.db2.gz YTXWAULWBACSBP-SECBINFHSA-N 1 2 249.236 1.183 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ncn(C)n2)CO1 ZINC000657443272 411511494 /nfs/dbraw/zinc/51/14/94/411511494.db2.gz IRUXXWFKBYPLET-OPRDCNLKSA-N 1 2 224.308 1.033 20 0 BDADLO Cc1c[nH]c(CN[C@@H](C)c2ccn(C)n2)[nH+]1 ZINC000657492409 411534787 /nfs/dbraw/zinc/53/47/87/411534787.db2.gz VYSNZDJXJPMHJL-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO COC[C@H](C[N@H+](C)Cc1nccs1)OC ZINC000659977649 411516730 /nfs/dbraw/zinc/51/67/30/411516730.db2.gz TZNHPRHLFUNSIV-VIFPVBQESA-N 1 2 230.333 1.236 20 0 BDADLO COC[C@H](C[N@@H+](C)Cc1nccs1)OC ZINC000659977649 411516731 /nfs/dbraw/zinc/51/67/31/411516731.db2.gz TZNHPRHLFUNSIV-VIFPVBQESA-N 1 2 230.333 1.236 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1nc(N(C)C)n[nH]1 ZINC000657463193 411518663 /nfs/dbraw/zinc/51/86/63/411518663.db2.gz KRHFGGTVLYRYBQ-UHFFFAOYSA-N 1 2 249.322 1.260 20 0 BDADLO CC(C)(C)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655819669 411525859 /nfs/dbraw/zinc/52/58/59/411525859.db2.gz NDBQIXNBNBZGRT-SECBINFHSA-N 1 2 238.335 1.792 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2CCO)co1 ZINC000660002378 411526744 /nfs/dbraw/zinc/52/67/44/411526744.db2.gz HJYLOJIGCDYDTH-NSHDSACASA-N 1 2 242.344 1.283 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H]2CCO)co1 ZINC000660002378 411526746 /nfs/dbraw/zinc/52/67/46/411526746.db2.gz HJYLOJIGCDYDTH-NSHDSACASA-N 1 2 242.344 1.283 20 0 BDADLO CCC1([NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000657479001 411528012 /nfs/dbraw/zinc/52/80/12/411528012.db2.gz PPDYXTKWMOHJPK-UHFFFAOYSA-N 1 2 223.324 1.460 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2nc(C)c[nH]2)cn1 ZINC000657484632 411529236 /nfs/dbraw/zinc/52/92/36/411529236.db2.gz GLWYGBDUOWJXLI-SNVBAGLBSA-N 1 2 233.319 1.785 20 0 BDADLO CC[NH+]1CCN(C[C@H](OC)C2CCC2)CC1 ZINC000659826996 411465535 /nfs/dbraw/zinc/46/55/35/411465535.db2.gz MXXAXNPPJPRGSR-ZDUSSCGKSA-N 1 2 226.364 1.439 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000134172799 170002154 /nfs/dbraw/zinc/00/21/54/170002154.db2.gz DKKKPAGLQBWPRV-ZDUSSCGKSA-N 1 2 233.311 1.980 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000134172799 170002156 /nfs/dbraw/zinc/00/21/56/170002156.db2.gz DKKKPAGLQBWPRV-ZDUSSCGKSA-N 1 2 233.311 1.980 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCOC3)ccn12 ZINC000654948205 411466135 /nfs/dbraw/zinc/46/61/35/411466135.db2.gz ZOQJOHWTJSVGMF-NSHDSACASA-N 1 2 245.282 1.161 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@H](C)F)[C@@H](C)C1 ZINC000339491089 170035245 /nfs/dbraw/zinc/03/52/45/170035245.db2.gz LLJJWGHDMJHBFS-DCAQKATOSA-N 1 2 202.317 1.664 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000355767021 170035739 /nfs/dbraw/zinc/03/57/39/170035739.db2.gz LUCJJEXCDKOIPP-MJBXVCDLSA-N 1 2 240.391 1.875 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(C)o1 ZINC000119302059 170057806 /nfs/dbraw/zinc/05/78/06/170057806.db2.gz VASZNYBDLBARQZ-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(C)o1 ZINC000119302059 170057808 /nfs/dbraw/zinc/05/78/08/170057808.db2.gz VASZNYBDLBARQZ-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCNC(=O)CNc1cc[nH+]c(C(C)C)n1 ZINC000302018517 170066993 /nfs/dbraw/zinc/06/69/93/170066993.db2.gz MSLCBNZZWUJBIG-UHFFFAOYSA-N 1 2 222.292 1.148 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000660132248 411543503 /nfs/dbraw/zinc/54/35/03/411543503.db2.gz HUWLLWCPWOHIIA-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000660132248 411543504 /nfs/dbraw/zinc/54/35/04/411543504.db2.gz HUWLLWCPWOHIIA-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO COc1cc(CN(C)Cc2[nH]cc[nH+]2)sn1 ZINC000660140988 411543829 /nfs/dbraw/zinc/54/38/29/411543829.db2.gz CTKTUNOAZAIMEU-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO C[N@H+](CCOC1CCC1)Cc1ncc[nH]1 ZINC000660141455 411544201 /nfs/dbraw/zinc/54/42/01/411544201.db2.gz FSUZNNKWIRIJOY-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@@H+](CCOC1CCC1)Cc1ncc[nH]1 ZINC000660141455 411544203 /nfs/dbraw/zinc/54/42/03/411544203.db2.gz FSUZNNKWIRIJOY-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO CCc1cc(=O)[nH]c(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000660141490 411544473 /nfs/dbraw/zinc/54/44/73/411544473.db2.gz DIHYCYYLCVVKKB-UHFFFAOYSA-N 1 2 247.302 1.100 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070733296 170088982 /nfs/dbraw/zinc/08/89/82/170088982.db2.gz IWOKPYXENUVUIO-HTQZYQBOSA-N 1 2 227.333 1.318 20 0 BDADLO CCNC(=O)[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000079045741 170096839 /nfs/dbraw/zinc/09/68/39/170096839.db2.gz MAGWVLKQNBYRHC-VIFPVBQESA-N 1 2 246.314 1.510 20 0 BDADLO C[C@H](NC(=O)N1CC[C@H](C)C1)c1[nH+]ccn1C ZINC000660098876 411537013 /nfs/dbraw/zinc/53/70/13/411537013.db2.gz CZPNUWYVRUNAKH-UWVGGRQHSA-N 1 2 236.319 1.533 20 0 BDADLO C[C@H](NC(=O)N1CC[C@@H](C)C1)c1[nH+]ccn1C ZINC000660098878 411537260 /nfs/dbraw/zinc/53/72/60/411537260.db2.gz CZPNUWYVRUNAKH-ZJUUUORDSA-N 1 2 236.319 1.533 20 0 BDADLO Cc1cnccc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657568760 411553709 /nfs/dbraw/zinc/55/37/09/411553709.db2.gz JITXRZQYMUGNRO-ZYHUDNBSSA-N 1 2 243.314 1.777 20 0 BDADLO CC(C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660206868 411553870 /nfs/dbraw/zinc/55/38/70/411553870.db2.gz QTXGFFFGYXOGNM-UHFFFAOYSA-N 1 2 210.281 1.207 20 0 BDADLO CC(C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660206868 411553871 /nfs/dbraw/zinc/55/38/71/411553871.db2.gz QTXGFFFGYXOGNM-UHFFFAOYSA-N 1 2 210.281 1.207 20 0 BDADLO CO[C@H](C[N@@H+]1CCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660216524 411554418 /nfs/dbraw/zinc/55/44/18/411554418.db2.gz YFDCUKFJRIYLTR-NXEZZACHSA-N 1 2 235.274 1.379 20 0 BDADLO CO[C@H](C[N@H+]1CCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660216524 411554419 /nfs/dbraw/zinc/55/44/19/411554419.db2.gz YFDCUKFJRIYLTR-NXEZZACHSA-N 1 2 235.274 1.379 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144669 411544930 /nfs/dbraw/zinc/54/49/30/411544930.db2.gz XIMIXRSQGSJBDU-VHSXEESVSA-N 1 2 238.335 1.145 20 0 BDADLO CCCCNC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144186 411545211 /nfs/dbraw/zinc/54/52/11/411545211.db2.gz RSWHCNDLSGGTKG-JTQLQIEISA-N 1 2 238.335 1.146 20 0 BDADLO CCc1nnc([C@H](C)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000660144682 411545369 /nfs/dbraw/zinc/54/53/69/411545369.db2.gz XNSIQWDACGEOQS-QMMMGPOBSA-N 1 2 235.291 1.548 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000660148037 411546024 /nfs/dbraw/zinc/54/60/24/411546024.db2.gz SKRWZKZOUCYADU-ZCFIWIBFSA-N 1 2 219.260 1.625 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000660148037 411546025 /nfs/dbraw/zinc/54/60/25/411546025.db2.gz SKRWZKZOUCYADU-ZCFIWIBFSA-N 1 2 219.260 1.625 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@@H](C)OC ZINC000336779220 170187847 /nfs/dbraw/zinc/18/78/47/170187847.db2.gz NNGACHVKLPJUJK-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H]1CCCO1 ZINC000037957582 170188072 /nfs/dbraw/zinc/18/80/72/170188072.db2.gz IGTZMPOGDVCIIW-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CCOC(=O)C1CC[NH+](Cc2ccon2)CC1 ZINC000122420591 170193126 /nfs/dbraw/zinc/19/31/26/170193126.db2.gz RAKURPFXYUDEDN-UHFFFAOYSA-N 1 2 238.287 1.450 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)CC12CCC2 ZINC000660167934 411550114 /nfs/dbraw/zinc/55/01/14/411550114.db2.gz UTCZSRSRUCZIFZ-LLVKDONJSA-N 1 2 234.347 1.859 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)CC12CCC2 ZINC000660167934 411550116 /nfs/dbraw/zinc/55/01/16/411550116.db2.gz UTCZSRSRUCZIFZ-LLVKDONJSA-N 1 2 234.347 1.859 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1nccn1C ZINC000162005980 170200675 /nfs/dbraw/zinc/20/06/75/170200675.db2.gz YSVKCRIGGYLBDP-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1nccn1C ZINC000162005980 170200676 /nfs/dbraw/zinc/20/06/76/170200676.db2.gz YSVKCRIGGYLBDP-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353202597 170205443 /nfs/dbraw/zinc/20/54/43/170205443.db2.gz LTSBHCHRIYVHBD-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353202597 170205445 /nfs/dbraw/zinc/20/54/45/170205445.db2.gz LTSBHCHRIYVHBD-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOCCC(C)C ZINC000050066487 170214522 /nfs/dbraw/zinc/21/45/22/170214522.db2.gz MIVZFCMVEIUAFB-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOCCC(C)C ZINC000050066487 170214523 /nfs/dbraw/zinc/21/45/23/170214523.db2.gz MIVZFCMVEIUAFB-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000118533932 170220560 /nfs/dbraw/zinc/22/05/60/170220560.db2.gz CLSBYXOWYXRSBQ-DTWKUNHWSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000118533932 170220561 /nfs/dbraw/zinc/22/05/61/170220561.db2.gz CLSBYXOWYXRSBQ-DTWKUNHWSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000342136456 170220563 /nfs/dbraw/zinc/22/05/63/170220563.db2.gz UDBPHPNXKLLEGH-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000342136456 170220564 /nfs/dbraw/zinc/22/05/64/170220564.db2.gz UDBPHPNXKLLEGH-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000341910872 170221575 /nfs/dbraw/zinc/22/15/75/170221575.db2.gz MKIPVZJBYYMEMX-QWRGUYRKSA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000341910872 170221576 /nfs/dbraw/zinc/22/15/76/170221576.db2.gz MKIPVZJBYYMEMX-QWRGUYRKSA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000375728826 170226141 /nfs/dbraw/zinc/22/61/41/170226141.db2.gz DCCBZAFOWCHGNX-WCQGTBRESA-N 1 2 241.331 1.343 20 0 BDADLO OCC=CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000657592622 411556524 /nfs/dbraw/zinc/55/65/24/411556524.db2.gz LEKOWVUDOQCXFC-ONEGZZNKSA-N 1 2 217.272 1.201 20 0 BDADLO CCOC(=O)CSc1[nH+]cc2ccccn21 ZINC000047822581 170230099 /nfs/dbraw/zinc/23/00/99/170230099.db2.gz NRCITSJYNJYUBJ-UHFFFAOYSA-N 1 2 236.296 1.990 20 0 BDADLO CCOC(=O)CSc1[nH+]cnc2[nH]ccc21 ZINC000263757253 170230489 /nfs/dbraw/zinc/23/04/89/170230489.db2.gz HLBVQWGREYCNIR-UHFFFAOYSA-N 1 2 237.284 1.613 20 0 BDADLO CCOC(=O)[C@@H](NCc1c[nH+]c[nH]1)[C@@H](C)CC ZINC000187862044 170255538 /nfs/dbraw/zinc/25/55/38/170255538.db2.gz IAIXJRQIPFSHSI-ONGXEEELSA-N 1 2 239.319 1.477 20 0 BDADLO CCOC(=O)[C@@H](NCc1c[nH]c[nH+]1)[C@@H](C)CC ZINC000187862044 170255540 /nfs/dbraw/zinc/25/55/40/170255540.db2.gz IAIXJRQIPFSHSI-ONGXEEELSA-N 1 2 239.319 1.477 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc(C)[nH+]cn1 ZINC000301523014 170264766 /nfs/dbraw/zinc/26/47/66/170264766.db2.gz DZJFEPRPKSFEES-MRVPVSSYSA-N 1 2 223.276 1.396 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000336776069 170268318 /nfs/dbraw/zinc/26/83/18/170268318.db2.gz DPTXBQCOBSTHQN-HOSYDEDBSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000276218688 170270872 /nfs/dbraw/zinc/27/08/72/170270872.db2.gz XTJDJSMCJFEGCU-BDAKNGLRSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)Cn1cccn1 ZINC000084102174 170271318 /nfs/dbraw/zinc/27/13/18/170271318.db2.gz ZHQBTEYJKMRCCV-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO COCc1nnc(C[NH2+]C2CCCCC2)[nH]1 ZINC000657608202 411561999 /nfs/dbraw/zinc/56/19/99/411561999.db2.gz TYDSWWAWAXNIPQ-UHFFFAOYSA-N 1 2 224.308 1.373 20 0 BDADLO CCOC(=O)[C@H](NCc1c[nH+]c[nH]1)[C@@H](C)CC ZINC000187862102 170277519 /nfs/dbraw/zinc/27/75/19/170277519.db2.gz IAIXJRQIPFSHSI-GXSJLCMTSA-N 1 2 239.319 1.477 20 0 BDADLO CCOC(=O)[C@H](NCc1c[nH]c[nH+]1)[C@@H](C)CC ZINC000187862102 170277520 /nfs/dbraw/zinc/27/75/20/170277520.db2.gz IAIXJRQIPFSHSI-GXSJLCMTSA-N 1 2 239.319 1.477 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cn[nH]c2)c(C)o1 ZINC000660272485 411563550 /nfs/dbraw/zinc/56/35/50/411563550.db2.gz CPCCXHFDNIMXIR-ZETCQYMHSA-N 1 2 220.276 1.865 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000657619434 411565337 /nfs/dbraw/zinc/56/53/37/411565337.db2.gz WRASCOXWOGGKLK-VIFPVBQESA-N 1 2 231.246 1.232 20 0 BDADLO COC[C@@H]1CCCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660292844 411565427 /nfs/dbraw/zinc/56/54/27/411565427.db2.gz LDNZGIPSNZTARB-LLVKDONJSA-N 1 2 238.335 1.096 20 0 BDADLO COC[C@@H]1CCCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660292844 411565428 /nfs/dbraw/zinc/56/54/28/411565428.db2.gz LDNZGIPSNZTARB-LLVKDONJSA-N 1 2 238.335 1.096 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660340653 411571737 /nfs/dbraw/zinc/57/17/37/411571737.db2.gz MULOQMBMBBLXDW-RKDXNWHRSA-N 1 2 222.292 1.207 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660340653 411571738 /nfs/dbraw/zinc/57/17/38/411571738.db2.gz MULOQMBMBBLXDW-RKDXNWHRSA-N 1 2 222.292 1.207 20 0 BDADLO CCOC1(C)CC[NH+](Cc2csnn2)CC1 ZINC000336650903 170318944 /nfs/dbraw/zinc/31/89/44/170318944.db2.gz FAROOBSYVXXODB-UHFFFAOYSA-N 1 2 241.360 1.929 20 0 BDADLO CO[C@@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)C1CCC1 ZINC000660369507 411573577 /nfs/dbraw/zinc/57/35/77/411573577.db2.gz XCNTVRWRZUUYSD-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@H](C[N@H+]1CC(F)(F)C[C@H]1CO)C1CCC1 ZINC000660369507 411573578 /nfs/dbraw/zinc/57/35/78/411573578.db2.gz XCNTVRWRZUUYSD-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000297404230 170336985 /nfs/dbraw/zinc/33/69/85/170336985.db2.gz KSFHVAWDINAENO-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO CCOC1C[NH+](Cc2ccncc2C)C1 ZINC000297442423 170337333 /nfs/dbraw/zinc/33/73/33/170337333.db2.gz OJFGTARSUWHLHX-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CCOCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330766061 170339645 /nfs/dbraw/zinc/33/96/45/170339645.db2.gz KNQQDJYTTVZGDG-UHFFFAOYSA-N 1 2 237.303 1.152 20 0 BDADLO CCOCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263934619 170340054 /nfs/dbraw/zinc/34/00/54/170340054.db2.gz FEPCHVWAJYUYOS-SNVBAGLBSA-N 1 2 237.303 1.152 20 0 BDADLO CCOCC(=O)Nc1c(C)cc[nH+]c1C ZINC000308805598 170347949 /nfs/dbraw/zinc/34/79/49/170347949.db2.gz MGAPEFPRXHAJMW-UHFFFAOYSA-N 1 2 208.261 1.673 20 0 BDADLO CCOCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280743317 170349422 /nfs/dbraw/zinc/34/94/22/170349422.db2.gz KFKONPMACPMNDX-UHFFFAOYSA-N 1 2 219.244 1.309 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000657662317 411575814 /nfs/dbraw/zinc/57/58/14/411575814.db2.gz AFKYEUMYPAYULC-SKDRFNHKSA-N 1 2 223.320 1.765 20 0 BDADLO CCOCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000076949191 170363669 /nfs/dbraw/zinc/36/36/69/170363669.db2.gz XJXDWQJLPWJMRZ-UHFFFAOYSA-N 1 2 208.261 1.755 20 0 BDADLO CCOCC[N@H+](C)Cc1nccs1 ZINC000175055178 170391055 /nfs/dbraw/zinc/39/10/55/170391055.db2.gz FBEDEVRAGKUVQL-UHFFFAOYSA-N 1 2 200.307 1.611 20 0 BDADLO CCOCC[N@@H+](C)Cc1nccs1 ZINC000175055178 170391057 /nfs/dbraw/zinc/39/10/57/170391057.db2.gz FBEDEVRAGKUVQL-UHFFFAOYSA-N 1 2 200.307 1.611 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(C2CC2)no1 ZINC000107679550 170395759 /nfs/dbraw/zinc/39/57/59/170395759.db2.gz GBBLERCDGNYLJJ-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(C2CC2)no1 ZINC000107679550 170395761 /nfs/dbraw/zinc/39/57/61/170395761.db2.gz GBBLERCDGNYLJJ-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncc(C)o1 ZINC000075718754 170395947 /nfs/dbraw/zinc/39/59/47/170395947.db2.gz LMPULZYVEDAZES-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncc(C)o1 ZINC000075718754 170395949 /nfs/dbraw/zinc/39/59/49/170395949.db2.gz LMPULZYVEDAZES-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)on1 ZINC000660780344 411628866 /nfs/dbraw/zinc/62/88/66/411628866.db2.gz LZDJQRRTXFQMHP-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO C[C@@H](NC(=O)NCC1(C)CC1)c1[nH+]ccn1C ZINC000660798629 411637016 /nfs/dbraw/zinc/63/70/16/411637016.db2.gz YXHCZGVZKPVUBU-SECBINFHSA-N 1 2 236.319 1.580 20 0 BDADLO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1csnn1 ZINC000660805467 411639756 /nfs/dbraw/zinc/63/97/56/411639756.db2.gz CGNLOGBQOYYVKS-POYBYMJQSA-N 1 2 249.286 1.613 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CCc3ccc(O)cc32)nn1 ZINC000657694224 411579458 /nfs/dbraw/zinc/57/94/58/411579458.db2.gz TVXVVENDDJMXQC-CYBMUJFWSA-N 1 2 244.298 1.298 20 0 BDADLO Cc1nc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)co1 ZINC000660410947 411581307 /nfs/dbraw/zinc/58/13/07/411581307.db2.gz JHLUFTWEOMTZBW-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1nc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)co1 ZINC000660410947 411581309 /nfs/dbraw/zinc/58/13/09/411581309.db2.gz JHLUFTWEOMTZBW-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)co1 ZINC000660445770 411585940 /nfs/dbraw/zinc/58/59/40/411585940.db2.gz NVNOJDUQQBBSBV-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)co1 ZINC000660445770 411585942 /nfs/dbraw/zinc/58/59/42/411585942.db2.gz NVNOJDUQQBBSBV-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660451553 411586911 /nfs/dbraw/zinc/58/69/11/411586911.db2.gz ARPYRXRCXGMLGZ-ILWJIGKKSA-N 1 2 219.275 1.592 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660451553 411586912 /nfs/dbraw/zinc/58/69/12/411586912.db2.gz ARPYRXRCXGMLGZ-ILWJIGKKSA-N 1 2 219.275 1.592 20 0 BDADLO CC1=C(C)C[N@H+](CC(=O)Nc2cnccn2)CC1 ZINC000660455345 411587369 /nfs/dbraw/zinc/58/73/69/411587369.db2.gz GWKPBCZCDUMMNC-UHFFFAOYSA-N 1 2 246.314 1.457 20 0 BDADLO CC1=C(C)C[N@@H+](CC(=O)Nc2cnccn2)CC1 ZINC000660455345 411587371 /nfs/dbraw/zinc/58/73/71/411587371.db2.gz GWKPBCZCDUMMNC-UHFFFAOYSA-N 1 2 246.314 1.457 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]CC2=CCCC2)n1 ZINC000657750073 411592912 /nfs/dbraw/zinc/59/29/12/411592912.db2.gz ZIDCEXGIGXJZPL-UHFFFAOYSA-N 1 2 235.335 1.628 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCOC2)co1 ZINC000660532428 411595630 /nfs/dbraw/zinc/59/56/30/411595630.db2.gz HPVRDBAWABRRJC-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCCOC2)co1 ZINC000660532428 411595631 /nfs/dbraw/zinc/59/56/31/411595631.db2.gz HPVRDBAWABRRJC-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3ccn[nH]3)[C@H]21 ZINC000657788799 411596964 /nfs/dbraw/zinc/59/69/64/411596964.db2.gz CASBHUXYYWWMEE-BFHYXJOUSA-N 1 2 243.285 1.977 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000660561044 411600007 /nfs/dbraw/zinc/60/00/07/411600007.db2.gz PSUYBGGVOXFRPP-NSHDSACASA-N 1 2 220.320 1.469 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000660561044 411600008 /nfs/dbraw/zinc/60/00/08/411600008.db2.gz PSUYBGGVOXFRPP-NSHDSACASA-N 1 2 220.320 1.469 20 0 BDADLO C[C@H](c1cnccn1)N1CCn2c[nH+]cc2C1 ZINC000660581640 411602812 /nfs/dbraw/zinc/60/28/12/411602812.db2.gz HSPPQLGQCJRGCA-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@](O)(CN1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000660584987 411604213 /nfs/dbraw/zinc/60/42/13/411604213.db2.gz WNBLGOHJGDHMFB-VIFPVBQESA-N 1 2 249.236 1.012 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cc(C2CC2)no1 ZINC000660616872 411607893 /nfs/dbraw/zinc/60/78/93/411607893.db2.gz HNWAERKMTNSZEH-UHFFFAOYSA-N 1 2 237.303 1.249 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cc(C2CC2)no1 ZINC000660616872 411607894 /nfs/dbraw/zinc/60/78/94/411607894.db2.gz HNWAERKMTNSZEH-UHFFFAOYSA-N 1 2 237.303 1.249 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C)s1 ZINC000660647572 411612468 /nfs/dbraw/zinc/61/24/68/411612468.db2.gz FYYARPFLMNVWLQ-MRVPVSSYSA-N 1 2 215.322 1.049 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C)s1 ZINC000660647572 411612469 /nfs/dbraw/zinc/61/24/69/411612469.db2.gz FYYARPFLMNVWLQ-MRVPVSSYSA-N 1 2 215.322 1.049 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H](F)C2)on1 ZINC000660692733 411617937 /nfs/dbraw/zinc/61/79/37/411617937.db2.gz RHZWCBLPJASQPH-ZETCQYMHSA-N 1 2 200.213 1.227 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H](F)C2)on1 ZINC000660692733 411617938 /nfs/dbraw/zinc/61/79/38/411617938.db2.gz RHZWCBLPJASQPH-ZETCQYMHSA-N 1 2 200.213 1.227 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2csnn2)C[C@H]1C ZINC000660719522 411618354 /nfs/dbraw/zinc/61/83/54/411618354.db2.gz CQFRFWWVLSLOOT-KOLCDFICSA-N 1 2 241.360 1.785 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2csnn2)C[C@H]1C ZINC000660719522 411618355 /nfs/dbraw/zinc/61/83/55/411618355.db2.gz CQFRFWWVLSLOOT-KOLCDFICSA-N 1 2 241.360 1.785 20 0 BDADLO CO[C@H]1CC[N@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660721638 411618969 /nfs/dbraw/zinc/61/89/69/411618969.db2.gz QUWURTHJUHMUEX-NSHDSACASA-N 1 2 238.335 1.094 20 0 BDADLO CO[C@H]1CC[N@@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660721638 411618970 /nfs/dbraw/zinc/61/89/70/411618970.db2.gz QUWURTHJUHMUEX-NSHDSACASA-N 1 2 238.335 1.094 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000660724799 411619248 /nfs/dbraw/zinc/61/92/48/411619248.db2.gz HHPMYVWAVPGQKH-LLVKDONJSA-N 1 2 238.360 1.175 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000660724799 411619249 /nfs/dbraw/zinc/61/92/49/411619249.db2.gz HHPMYVWAVPGQKH-LLVKDONJSA-N 1 2 238.360 1.175 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660739096 411620477 /nfs/dbraw/zinc/62/04/77/411620477.db2.gz KJSOXRFPMFZJLJ-LLVKDONJSA-N 1 2 235.287 1.002 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000660739096 411620478 /nfs/dbraw/zinc/62/04/78/411620478.db2.gz KJSOXRFPMFZJLJ-LLVKDONJSA-N 1 2 235.287 1.002 20 0 BDADLO COc1cc(CN(C)Cc2c[nH+]c[nH]2)sn1 ZINC000661092480 411705774 /nfs/dbraw/zinc/70/57/74/411705774.db2.gz JEYJXNFCULUYMJ-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO COc1cc(CN(C)Cc2c[nH]c[nH+]2)sn1 ZINC000661092480 411705778 /nfs/dbraw/zinc/70/57/78/411705778.db2.gz JEYJXNFCULUYMJ-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CC[C@H](CO)C1 ZINC000663650545 411714302 /nfs/dbraw/zinc/71/43/02/411714302.db2.gz WLXKURYORHYPJO-JTQLQIEISA-N 1 2 243.310 1.636 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661120957 411714395 /nfs/dbraw/zinc/71/43/95/411714395.db2.gz LPOSITFSPGYJJH-PSASIEDQSA-N 1 2 222.292 1.350 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661120957 411714400 /nfs/dbraw/zinc/71/44/00/411714400.db2.gz LPOSITFSPGYJJH-PSASIEDQSA-N 1 2 222.292 1.350 20 0 BDADLO C[N@H+](CCC(F)(F)F)Cc1n[nH]c(=O)o1 ZINC000660841975 411654155 /nfs/dbraw/zinc/65/41/55/411654155.db2.gz JUJSBCUFZGODNH-UHFFFAOYSA-N 1 2 225.170 1.159 20 0 BDADLO C[N@@H+](CCC(F)(F)F)Cc1n[nH]c(=O)o1 ZINC000660841975 411654157 /nfs/dbraw/zinc/65/41/57/411654157.db2.gz JUJSBCUFZGODNH-UHFFFAOYSA-N 1 2 225.170 1.159 20 0 BDADLO C[C@H](c1ccccc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850771 411655582 /nfs/dbraw/zinc/65/55/82/411655582.db2.gz XRRKIKMRRYAFKY-SECBINFHSA-N 1 2 233.271 1.968 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850771 411655586 /nfs/dbraw/zinc/65/55/86/411655586.db2.gz XRRKIKMRRYAFKY-SECBINFHSA-N 1 2 233.271 1.968 20 0 BDADLO CC[C@H](CC(F)F)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844783 411655769 /nfs/dbraw/zinc/65/57/69/411655769.db2.gz WCFWGCYLYIBCHE-SSDOTTSWSA-N 1 2 249.261 1.888 20 0 BDADLO CC[C@H](CC(F)F)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844783 411655773 /nfs/dbraw/zinc/65/57/73/411655773.db2.gz WCFWGCYLYIBCHE-SSDOTTSWSA-N 1 2 249.261 1.888 20 0 BDADLO CC(C)[C@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660860673 411658885 /nfs/dbraw/zinc/65/88/85/411658885.db2.gz CMNZELABCNBPPH-SNVBAGLBSA-N 1 2 238.335 1.843 20 0 BDADLO CC(C)[C@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660860673 411658889 /nfs/dbraw/zinc/65/88/89/411658889.db2.gz CMNZELABCNBPPH-SNVBAGLBSA-N 1 2 238.335 1.843 20 0 BDADLO CCn1nccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000663471754 411668424 /nfs/dbraw/zinc/66/84/24/411668424.db2.gz XTYCUGYXSXYOMF-LBPRGKRZSA-N 1 2 245.330 1.724 20 0 BDADLO Cn1c[nH+]c(CN2CCCC(F)(F)C2)c1 ZINC000660912298 411668755 /nfs/dbraw/zinc/66/87/55/411668755.db2.gz MRUGLHJKCWZVGG-UHFFFAOYSA-N 1 2 215.247 1.651 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nc(C)no1)C1CCC1 ZINC000660926112 411676435 /nfs/dbraw/zinc/67/64/35/411676435.db2.gz LTYHJJDMLUWJPB-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nc(C)no1)C1CCC1 ZINC000660926112 411676440 /nfs/dbraw/zinc/67/64/40/411676440.db2.gz LTYHJJDMLUWJPB-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cn1ncnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660929720 411678802 /nfs/dbraw/zinc/67/88/02/411678802.db2.gz JNPAPBBZOWPXLH-UWVGGRQHSA-N 1 2 206.293 1.190 20 0 BDADLO Cn1ncnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660929720 411678806 /nfs/dbraw/zinc/67/88/06/411678806.db2.gz JNPAPBBZOWPXLH-UWVGGRQHSA-N 1 2 206.293 1.190 20 0 BDADLO CC(C)C[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660943352 411686245 /nfs/dbraw/zinc/68/62/45/411686245.db2.gz RTPHXUTWESBYMP-JTQLQIEISA-N 1 2 238.335 1.986 20 0 BDADLO CC(C)C[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660943352 411686249 /nfs/dbraw/zinc/68/62/49/411686249.db2.gz RTPHXUTWESBYMP-JTQLQIEISA-N 1 2 238.335 1.986 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3nccnc3C2)s1 ZINC000663504200 411687206 /nfs/dbraw/zinc/68/72/06/411687206.db2.gz VVFVEAWEJINEBM-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3nccnc3C2)s1 ZINC000663504200 411687209 /nfs/dbraw/zinc/68/72/09/411687209.db2.gz VVFVEAWEJINEBM-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BDADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000528141861 411696025 /nfs/dbraw/zinc/69/60/25/411696025.db2.gz WDNALOXRSWMGPQ-WDEREUQCSA-N 1 2 249.314 1.306 20 0 BDADLO CCCc1nccnc1N1CCn2cc[nH+]c2C1 ZINC000663517735 411697042 /nfs/dbraw/zinc/69/70/42/411697042.db2.gz LJCYYMWUXGZNMQ-UHFFFAOYSA-N 1 2 243.314 1.646 20 0 BDADLO C[C@H](c1cnccn1)N(C)Cc1c[nH+]c[nH]1 ZINC000661088757 411698518 /nfs/dbraw/zinc/69/85/18/411698518.db2.gz NVPFCZXEBLQWHH-SECBINFHSA-N 1 2 217.276 1.393 20 0 BDADLO C[N@H+](CCO[C@@H]1CCCCO1)Cc1cnc[nH]1 ZINC000661089057 411699057 /nfs/dbraw/zinc/69/90/57/411699057.db2.gz VZJCVPNHPUWIPQ-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@@H]1CCCCO1)Cc1cnc[nH]1 ZINC000661089057 411699059 /nfs/dbraw/zinc/69/90/59/411699059.db2.gz VZJCVPNHPUWIPQ-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@H+](CCO[C@@H]1CCCCO1)Cc1c[nH]cn1 ZINC000661089057 411699063 /nfs/dbraw/zinc/69/90/63/411699063.db2.gz VZJCVPNHPUWIPQ-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@@H]1CCCCO1)Cc1c[nH]cn1 ZINC000661089057 411699068 /nfs/dbraw/zinc/69/90/68/411699068.db2.gz VZJCVPNHPUWIPQ-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO CN(Cc1cc2n(n1)CCCC2)Cc1c[nH+]c[nH]1 ZINC000661091723 411702095 /nfs/dbraw/zinc/70/20/95/411702095.db2.gz DSNDAVMCPKEVAU-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO CN(Cc1cc2n(n1)CCCC2)Cc1c[nH]c[nH+]1 ZINC000661091723 411702101 /nfs/dbraw/zinc/70/21/01/411702101.db2.gz DSNDAVMCPKEVAU-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO COc1ncccc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661089906 411702612 /nfs/dbraw/zinc/70/26/12/411702612.db2.gz IVNITWBYLTYLMW-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ncccc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661089906 411702615 /nfs/dbraw/zinc/70/26/15/411702615.db2.gz IVNITWBYLTYLMW-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)o1 ZINC000661172091 411728680 /nfs/dbraw/zinc/72/86/80/411728680.db2.gz SDSJPXZJEGVPKP-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@](C)(C3CC3)C2)o1 ZINC000661172091 411728682 /nfs/dbraw/zinc/72/86/82/411728682.db2.gz SDSJPXZJEGVPKP-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO CCC(C)(C)[C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000661231199 411737007 /nfs/dbraw/zinc/73/70/07/411737007.db2.gz JAEUKKYSDNEZDD-SSDOTTSWSA-N 1 2 212.297 1.425 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CCC1(O)CCC1)CC2 ZINC000663751579 411739497 /nfs/dbraw/zinc/73/94/97/411739497.db2.gz GSZJAGQIZOFLFL-UHFFFAOYSA-N 1 2 235.331 1.312 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CCC1(O)CCC1)CC2 ZINC000663751579 411739502 /nfs/dbraw/zinc/73/95/02/411739502.db2.gz GSZJAGQIZOFLFL-UHFFFAOYSA-N 1 2 235.331 1.312 20 0 BDADLO Cn1nncc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661507635 411792083 /nfs/dbraw/zinc/79/20/83/411792083.db2.gz AFTBZAUQHIAILE-CYBMUJFWSA-N 1 2 246.289 1.901 20 0 BDADLO Cn1nncc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661507635 411792086 /nfs/dbraw/zinc/79/20/86/411792086.db2.gz AFTBZAUQHIAILE-CYBMUJFWSA-N 1 2 246.289 1.901 20 0 BDADLO C[C@@H](F)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661239695 411740790 /nfs/dbraw/zinc/74/07/90/411740790.db2.gz NJFNMQODVCAJOZ-BDAKNGLRSA-N 1 2 242.298 1.528 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC=CCC1 ZINC000663829306 411756027 /nfs/dbraw/zinc/75/60/27/411756027.db2.gz QHBDQKWKYGQOSV-NSHDSACASA-N 1 2 248.330 1.907 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC=CCC1 ZINC000663829306 411756028 /nfs/dbraw/zinc/75/60/28/411756028.db2.gz QHBDQKWKYGQOSV-NSHDSACASA-N 1 2 248.330 1.907 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cc1nnnn1C)CC2 ZINC000661375080 411758190 /nfs/dbraw/zinc/75/81/90/411758190.db2.gz IQRGUZPEWULJQB-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cc1nnnn1C)CC2 ZINC000661375080 411758195 /nfs/dbraw/zinc/75/81/95/411758195.db2.gz IQRGUZPEWULJQB-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397561 411767353 /nfs/dbraw/zinc/76/73/53/411767353.db2.gz DGTOWJIJGLOZQD-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397561 411767355 /nfs/dbraw/zinc/76/73/55/411767355.db2.gz DGTOWJIJGLOZQD-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO COCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661402504 411768581 /nfs/dbraw/zinc/76/85/81/411768581.db2.gz WGTSFPZGBHXRLP-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO COCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661402504 411768584 /nfs/dbraw/zinc/76/85/84/411768584.db2.gz WGTSFPZGBHXRLP-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO O[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)CC1(F)F ZINC000661413903 411770480 /nfs/dbraw/zinc/77/04/80/411770480.db2.gz PVXWZUMTNXGHNM-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)CC1(F)F ZINC000661413903 411770483 /nfs/dbraw/zinc/77/04/83/411770483.db2.gz PVXWZUMTNXGHNM-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000661412670 411770925 /nfs/dbraw/zinc/77/09/25/411770925.db2.gz HWICEMPUUQJAIM-NXEZZACHSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000661412670 411770926 /nfs/dbraw/zinc/77/09/26/411770926.db2.gz HWICEMPUUQJAIM-NXEZZACHSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC000661413917 411771031 /nfs/dbraw/zinc/77/10/31/411771031.db2.gz PYAAHPCBUPEUOG-OPRDCNLKSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC000661413917 411771033 /nfs/dbraw/zinc/77/10/33/411771033.db2.gz PYAAHPCBUPEUOG-OPRDCNLKSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1cscn1 ZINC000661421672 411772420 /nfs/dbraw/zinc/77/24/20/411772420.db2.gz WGYKGCLMHMCRCQ-QMMMGPOBSA-N 1 2 239.344 1.415 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511896 411794091 /nfs/dbraw/zinc/79/40/91/411794091.db2.gz JQQYERMWCYVMHN-OLZOCXBDSA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511896 411794097 /nfs/dbraw/zinc/79/40/97/411794097.db2.gz JQQYERMWCYVMHN-OLZOCXBDSA-N 1 2 248.301 1.851 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000661166952 411726657 /nfs/dbraw/zinc/72/66/57/411726657.db2.gz DHPPQFAOTBESOW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000661166952 411726660 /nfs/dbraw/zinc/72/66/60/411726660.db2.gz DHPPQFAOTBESOW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO C[C@]1(C2CC2)C[N@H+](Cc2ccon2)CCO1 ZINC000661172012 411727664 /nfs/dbraw/zinc/72/76/64/411727664.db2.gz RANVUMRUEIVGHN-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO C[C@]1(C2CC2)C[N@@H+](Cc2ccon2)CCO1 ZINC000661172012 411727667 /nfs/dbraw/zinc/72/76/67/411727667.db2.gz RANVUMRUEIVGHN-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2cccc(C)n2)o1 ZINC000661528638 411796732 /nfs/dbraw/zinc/79/67/32/411796732.db2.gz FKDWKWHQFZSZBN-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2cccc(C)n2)o1 ZINC000661528638 411796737 /nfs/dbraw/zinc/79/67/37/411796737.db2.gz FKDWKWHQFZSZBN-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO C[C@@H]1C[NH+](C[C@@H](O)C(F)(F)F)C[C@@H](C)C1=O ZINC000661544854 411799315 /nfs/dbraw/zinc/79/93/15/411799315.db2.gz MTWNJQHQZGCXAV-BWZBUEFSSA-N 1 2 239.237 1.067 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccnc(N)c2)C[C@@H](C)C1=O ZINC000661544846 411799960 /nfs/dbraw/zinc/79/99/60/411799960.db2.gz MJVGTEHMPKXMPS-NXEZZACHSA-N 1 2 233.315 1.321 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000661578312 411806890 /nfs/dbraw/zinc/80/68/90/411806890.db2.gz KMYXRMSNJVBYNC-GFCCVEGCSA-N 1 2 249.362 1.612 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000661578312 411806892 /nfs/dbraw/zinc/80/68/92/411806892.db2.gz KMYXRMSNJVBYNC-GFCCVEGCSA-N 1 2 249.362 1.612 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC1CC=CC1 ZINC000664000848 411809324 /nfs/dbraw/zinc/80/93/24/411809324.db2.gz ZWFPBBBCKFRXBE-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@H]1COCCO1 ZINC000664018908 411815238 /nfs/dbraw/zinc/81/52/38/411815238.db2.gz GOAVZGKEUALFPL-LLVKDONJSA-N 1 2 237.299 1.747 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@@H]1COCCO1 ZINC000664018909 411815250 /nfs/dbraw/zinc/81/52/50/411815250.db2.gz GOAVZGKEUALFPL-NSHDSACASA-N 1 2 237.299 1.747 20 0 BDADLO CCn1nnc(C)c1CNc1cc[nH+]c(C)n1 ZINC000624320151 411824184 /nfs/dbraw/zinc/82/41/84/411824184.db2.gz LNTUSTOUMYNRJZ-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)no1 ZINC000661630841 411825620 /nfs/dbraw/zinc/82/56/20/411825620.db2.gz CFKRAYLVKFSNTA-GFCCVEGCSA-N 1 2 237.303 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@](O)(C3CC3)C2)no1 ZINC000661630841 411825623 /nfs/dbraw/zinc/82/56/23/411825623.db2.gz CFKRAYLVKFSNTA-GFCCVEGCSA-N 1 2 237.303 1.115 20 0 BDADLO OC/C=C/CNc1cc[nH+]c(C2CC2)n1 ZINC000664236520 411891700 /nfs/dbraw/zinc/89/17/00/411891700.db2.gz MQHODJXZZIKZKZ-OWOJBTEDSA-N 1 2 205.261 1.314 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)no1 ZINC000661835035 411899944 /nfs/dbraw/zinc/89/99/44/411899944.db2.gz IJIVYLCWMOJSQL-RKDXNWHRSA-N 1 2 237.303 1.025 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccc(N)n2)C[C@H](C)O1 ZINC000661853505 411902639 /nfs/dbraw/zinc/90/26/39/411902639.db2.gz TXPRREYIXBXSRR-ZJUUUORDSA-N 1 2 236.319 1.058 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C[C@H](C)O1 ZINC000661853505 411902644 /nfs/dbraw/zinc/90/26/44/411902644.db2.gz TXPRREYIXBXSRR-ZJUUUORDSA-N 1 2 236.319 1.058 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)o1 ZINC000661853873 411904896 /nfs/dbraw/zinc/90/48/96/411904896.db2.gz ZHJLSFUERUNNFU-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)o1 ZINC000661853873 411904899 /nfs/dbraw/zinc/90/48/99/411904899.db2.gz ZHJLSFUERUNNFU-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1cc(N2CCC[C@@H](C)[C@H]2CCO)nc[nH+]1 ZINC000664286052 411913490 /nfs/dbraw/zinc/91/34/90/411913490.db2.gz KUERQUUQGDWFAA-ZYHUDNBSSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1noc(C[NH+]2CCC3(CCCC3=O)CC2)n1 ZINC000661952316 411918144 /nfs/dbraw/zinc/91/81/44/411918144.db2.gz BGHOUTFNTOCARH-UHFFFAOYSA-N 1 2 249.314 1.713 20 0 BDADLO Cc1nc(NCC2CCC(F)CC2)nc(N)[nH+]1 ZINC000631331445 411940661 /nfs/dbraw/zinc/94/06/61/411940661.db2.gz UQRUBWVHAOEPQP-UHFFFAOYSA-N 1 2 239.298 1.124 20 0 BDADLO Cc1nc(N)nc(NCC2CCC(F)CC2)[nH+]1 ZINC000631331445 411940665 /nfs/dbraw/zinc/94/06/65/411940665.db2.gz UQRUBWVHAOEPQP-UHFFFAOYSA-N 1 2 239.298 1.124 20 0 BDADLO Cc1cc[nH+]cc1Cn1nnc2c1CCCC2 ZINC000664140868 411869848 /nfs/dbraw/zinc/86/98/48/411869848.db2.gz IOUGUJAWOSPIFV-UHFFFAOYSA-N 1 2 228.299 1.909 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@]12C[C@@H]1CCC2 ZINC000664159010 411875250 /nfs/dbraw/zinc/87/52/50/411875250.db2.gz APLHZVPKDLDAEC-UFBFGSQYSA-N 1 2 229.287 1.718 20 0 BDADLO CC[C@@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)CCO1 ZINC000631308944 411884431 /nfs/dbraw/zinc/88/44/31/411884431.db2.gz HWCGREVFTLACEW-RKDXNWHRSA-N 1 2 237.307 1.132 20 0 BDADLO CC[C@@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)CCO1 ZINC000631308944 411884432 /nfs/dbraw/zinc/88/44/32/411884432.db2.gz HWCGREVFTLACEW-RKDXNWHRSA-N 1 2 237.307 1.132 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000664465211 411965538 /nfs/dbraw/zinc/96/55/38/411965538.db2.gz HUZSDJNYMMYXNB-WDEREUQCSA-N 1 2 233.315 1.754 20 0 BDADLO Cc1nnc(C[NH+]2CCC(c3ccon3)CC2)[nH]1 ZINC000662047799 411966209 /nfs/dbraw/zinc/96/62/09/411966209.db2.gz CSTWURMWZYJWCQ-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CC[C@@H](NC(=O)CCSC)c1[nH]cc[nH+]1 ZINC000125337583 170875954 /nfs/dbraw/zinc/87/59/54/170875954.db2.gz XCTFMWWHGOIUCA-MRVPVSSYSA-N 1 2 227.333 1.730 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCC1=CCCC1 ZINC000664543993 411982333 /nfs/dbraw/zinc/98/23/33/411982333.db2.gz SEFKUZBWYZYBNP-UHFFFAOYSA-N 1 2 244.302 1.468 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCC2(COC2)C1 ZINC000664570084 411989481 /nfs/dbraw/zinc/98/94/81/411989481.db2.gz OUEBJLXBQVDVKM-UHFFFAOYSA-N 1 2 243.310 1.800 20 0 BDADLO C[C@@H](NC(=O)Nc1cnn(C)c1)c1[nH+]ccn1C ZINC000664577100 411990812 /nfs/dbraw/zinc/99/08/12/411990812.db2.gz DDMMIYIOEYKCBU-MRVPVSSYSA-N 1 2 248.290 1.036 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@]1(C)CO ZINC000664593518 411992649 /nfs/dbraw/zinc/99/26/49/411992649.db2.gz CUZXWODDMKSJFA-PWSUYJOCSA-N 1 2 206.289 1.536 20 0 BDADLO CCOc1cc(N[C@@H](C)c2[nH+]ccn2C)ncn1 ZINC000664608957 411998312 /nfs/dbraw/zinc/99/83/12/411998312.db2.gz RBJAHJJYRAIJPE-VIFPVBQESA-N 1 2 247.302 1.782 20 0 BDADLO CC[C@@H](Nc1cn(C)nc1OC)c1[nH+]ccn1C ZINC000353345922 170916876 /nfs/dbraw/zinc/91/68/76/170916876.db2.gz FRYKPPVATAAUSS-SECBINFHSA-N 1 2 249.318 1.725 20 0 BDADLO Cc1nc(N2CC3CC2(C)C3)nc(N(C)C)[nH+]1 ZINC000664692806 412010851 /nfs/dbraw/zinc/01/08/51/412010851.db2.gz DJWAANANLDOWOE-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC3CC2(C)C3)[nH+]1 ZINC000664692806 412010855 /nfs/dbraw/zinc/01/08/55/412010855.db2.gz DJWAANANLDOWOE-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC2CC1(C)C2 ZINC000664697686 412011937 /nfs/dbraw/zinc/01/19/37/412011937.db2.gz XVTXDPRZMJNXTP-UHFFFAOYSA-N 1 2 220.276 1.056 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC2CC1(C)C2 ZINC000664697686 412011939 /nfs/dbraw/zinc/01/19/39/412011939.db2.gz XVTXDPRZMJNXTP-UHFFFAOYSA-N 1 2 220.276 1.056 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC3CC2(C)C3)nc[nH+]1 ZINC000664694615 412012194 /nfs/dbraw/zinc/01/21/94/412012194.db2.gz UNPMSVPMDGDDFY-TTXORMCVSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC3CC2(C)C3)[nH+]cn1 ZINC000664694615 412012196 /nfs/dbraw/zinc/01/21/96/412012196.db2.gz UNPMSVPMDGDDFY-TTXORMCVSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nc(NCC[C@]2(C)CC2(F)F)nc(N)[nH+]1 ZINC000631370425 411944174 /nfs/dbraw/zinc/94/41/74/411944174.db2.gz LIFVBPNKGYXJLN-SECBINFHSA-N 1 2 243.261 1.031 20 0 BDADLO Cc1nc(N)nc(NCC[C@]2(C)CC2(F)F)[nH+]1 ZINC000631370425 411944179 /nfs/dbraw/zinc/94/41/79/411944179.db2.gz LIFVBPNKGYXJLN-SECBINFHSA-N 1 2 243.261 1.031 20 0 BDADLO C[C@]12COC[C@@H]1CN(c1cccc[nH+]1)C2 ZINC000664420785 411948960 /nfs/dbraw/zinc/94/89/60/411948960.db2.gz GHHPGYJOJWMTKZ-JQWIXIFHSA-N 1 2 204.273 1.554 20 0 BDADLO Cc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000664423643 411951443 /nfs/dbraw/zinc/95/14/43/411951443.db2.gz GVOWHTDGUDJGNN-SMDDNHRTSA-N 1 2 245.326 1.624 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)no1 ZINC000662039976 411957420 /nfs/dbraw/zinc/95/74/20/411957420.db2.gz QBGMZCODNJXAGM-UWVGGRQHSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)no1 ZINC000662039976 411957424 /nfs/dbraw/zinc/95/74/24/411957424.db2.gz QBGMZCODNJXAGM-UWVGGRQHSA-N 1 2 237.303 1.100 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1nc[nH+]c(N)c1Cl ZINC000664439519 411957682 /nfs/dbraw/zinc/95/76/82/411957682.db2.gz OJLOYQFSTGTYQG-NKWVEPMBSA-N 1 2 242.710 1.062 20 0 BDADLO CCc1nc(N2CCC[C@@H]2[C@@H](C)O)cc(C)[nH+]1 ZINC000664441170 411959979 /nfs/dbraw/zinc/95/99/79/411959979.db2.gz JOMFIPPSBGZVNF-GHMZBOCLSA-N 1 2 235.331 1.697 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831382 412029702 /nfs/dbraw/zinc/02/97/02/412029702.db2.gz CXNGSMHEFASFCB-MWLCHTKSSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831382 412029707 /nfs/dbraw/zinc/02/97/07/412029707.db2.gz CXNGSMHEFASFCB-MWLCHTKSSA-N 1 2 233.315 1.338 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1nnc(C)s1)OC ZINC000662257435 412051269 /nfs/dbraw/zinc/05/12/69/412051269.db2.gz RTVDGBNPQINAAN-VIFPVBQESA-N 1 2 229.349 1.703 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1nnc(C)s1)OC ZINC000662257435 412051272 /nfs/dbraw/zinc/05/12/72/412051272.db2.gz RTVDGBNPQINAAN-VIFPVBQESA-N 1 2 229.349 1.703 20 0 BDADLO Cc1nnc(CN(C)CCn2cc[nH+]c2)s1 ZINC000662258339 412054262 /nfs/dbraw/zinc/05/42/62/412054262.db2.gz WCGOXLONLNFSCT-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO CCOCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664982003 412055127 /nfs/dbraw/zinc/05/51/27/412055127.db2.gz MWIWRNMUFDFDPH-UHFFFAOYSA-N 1 2 247.298 1.943 20 0 BDADLO C[N@H+](CC1=CCSC1)Cc1ncc[nH]1 ZINC000662268804 412061523 /nfs/dbraw/zinc/06/15/23/412061523.db2.gz LUVAMWKMSDFTMK-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO C[N@@H+](CC1=CCSC1)Cc1ncc[nH]1 ZINC000662268804 412061526 /nfs/dbraw/zinc/06/15/26/412061526.db2.gz LUVAMWKMSDFTMK-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C)no2)CCCO1 ZINC000331603650 171090229 /nfs/dbraw/zinc/09/02/29/171090229.db2.gz HWCIXUWBOORCRN-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C)no2)CCCO1 ZINC000331603650 171090232 /nfs/dbraw/zinc/09/02/32/171090232.db2.gz HWCIXUWBOORCRN-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2noc(C)n2)CCCO1 ZINC000328632653 171094320 /nfs/dbraw/zinc/09/43/20/171094320.db2.gz AMAPIZFDLMZESF-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2noc(C)n2)CCCO1 ZINC000328632653 171094322 /nfs/dbraw/zinc/09/43/22/171094322.db2.gz AMAPIZFDLMZESF-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000270508165 171097769 /nfs/dbraw/zinc/09/77/69/171097769.db2.gz WCTKHHXGBUSALE-PWSUYJOCSA-N 1 2 247.342 1.870 20 0 BDADLO CC[C@@H]1COCCN1Cc1cc(OC)cc[nH+]1 ZINC000115741116 171107035 /nfs/dbraw/zinc/10/70/35/171107035.db2.gz MSNLPEPDHGBXSW-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(OC)ccn1 ZINC000115741116 171107037 /nfs/dbraw/zinc/10/70/37/171107037.db2.gz MSNLPEPDHGBXSW-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cc(OC)ccn1 ZINC000115741116 171107038 /nfs/dbraw/zinc/10/70/38/171107038.db2.gz MSNLPEPDHGBXSW-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000373901654 171138974 /nfs/dbraw/zinc/13/89/74/171138974.db2.gz BIHBOKPMZQOCMH-GMTAPVOTSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000227013680 171141734 /nfs/dbraw/zinc/14/17/34/171141734.db2.gz IRTLCUSDIKJGQO-VXNVDRBHSA-N 1 2 217.276 1.574 20 0 BDADLO CC[C@@H]1OCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331158624 171152446 /nfs/dbraw/zinc/15/24/46/171152446.db2.gz FEDCWWHZRVVBDI-MNOVXSKESA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1OCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331158624 171152448 /nfs/dbraw/zinc/15/24/48/171152448.db2.gz FEDCWWHZRVVBDI-MNOVXSKESA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287787836 171158497 /nfs/dbraw/zinc/15/84/97/171158497.db2.gz IIRVEPVGRKGFPP-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ncc(C)o1 ZINC000336553535 171206599 /nfs/dbraw/zinc/20/65/99/171206599.db2.gz WIGCJVLFEODCCX-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ncc(C)o1 ZINC000336553535 171206600 /nfs/dbraw/zinc/20/66/00/171206600.db2.gz WIGCJVLFEODCCX-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000135492867 171207734 /nfs/dbraw/zinc/20/77/34/171207734.db2.gz MLJFHXXKEWTVBS-KWQFWETISA-N 1 2 207.277 1.462 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000332651727 171214911 /nfs/dbraw/zinc/21/49/11/171214911.db2.gz CWOFHKUDESUBNU-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000332651727 171214913 /nfs/dbraw/zinc/21/49/13/171214913.db2.gz CWOFHKUDESUBNU-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cccnc1 ZINC000179518138 171240779 /nfs/dbraw/zinc/24/07/79/171240779.db2.gz ZHZRROCMIKIRJR-LLVKDONJSA-N 1 2 222.288 1.465 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccnc1 ZINC000179518138 171240781 /nfs/dbraw/zinc/24/07/81/171240781.db2.gz ZHZRROCMIKIRJR-LLVKDONJSA-N 1 2 222.288 1.465 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cnccc1C ZINC000354914228 171241103 /nfs/dbraw/zinc/24/11/03/171241103.db2.gz DAQMVGMSZLGVMD-GFCCVEGCSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cnccc1C ZINC000354914228 171241104 /nfs/dbraw/zinc/24/11/04/171241104.db2.gz DAQMVGMSZLGVMD-GFCCVEGCSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334151259 171255043 /nfs/dbraw/zinc/25/50/43/171255043.db2.gz QFWWVHDNFPLYGS-IUCAKERBSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334151259 171255045 /nfs/dbraw/zinc/25/50/45/171255045.db2.gz QFWWVHDNFPLYGS-IUCAKERBSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276622226 171261086 /nfs/dbraw/zinc/26/10/86/171261086.db2.gz UDEUNCSWIDGKDG-QWRGUYRKSA-N 1 2 223.320 1.824 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000359710642 171261937 /nfs/dbraw/zinc/26/19/37/171261937.db2.gz IOPMKIFMCLVPEO-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CC[C@H](C)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000088327491 171291760 /nfs/dbraw/zinc/29/17/60/171291760.db2.gz KIZRMPSEVMXACA-VIFPVBQESA-N 1 2 230.333 1.381 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(C)no1 ZINC000337255413 171311558 /nfs/dbraw/zinc/31/15/58/171311558.db2.gz SSRJXLRYYVZSEO-JTQLQIEISA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc(C)no1 ZINC000337255413 171311559 /nfs/dbraw/zinc/31/15/59/171311559.db2.gz SSRJXLRYYVZSEO-JTQLQIEISA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1ncnn1C(C)C ZINC000310292895 171316056 /nfs/dbraw/zinc/31/60/56/171316056.db2.gz ODGVJFLEPQXODA-NSHDSACASA-N 1 2 240.351 1.452 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1ncnn1C(C)C ZINC000310292895 171316058 /nfs/dbraw/zinc/31/60/58/171316058.db2.gz ODGVJFLEPQXODA-NSHDSACASA-N 1 2 240.351 1.452 20 0 BDADLO CC[C@H](C)NC(=O)CCNc1cc[nH+]c(C)n1 ZINC000054935991 171323469 /nfs/dbraw/zinc/32/34/69/171323469.db2.gz BNGSHOAQLWHSHO-VIFPVBQESA-N 1 2 236.319 1.502 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356036542 171324926 /nfs/dbraw/zinc/32/49/26/171324926.db2.gz OQBSCSNTCZQBBI-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356036542 171324927 /nfs/dbraw/zinc/32/49/27/171324927.db2.gz OQBSCSNTCZQBBI-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134742357 171328413 /nfs/dbraw/zinc/32/84/13/171328413.db2.gz ARZODGQSWNPVAZ-NSHDSACASA-N 1 2 238.335 1.713 20 0 BDADLO CC[C@H](C)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000331363422 171330365 /nfs/dbraw/zinc/33/03/65/171330365.db2.gz AGZSYNDMQANVDS-GUBZILKMSA-N 1 2 236.319 1.987 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000301258785 171332268 /nfs/dbraw/zinc/33/22/68/171332268.db2.gz UNKGKCGUAAQHLZ-WCBMZHEXSA-N 1 2 236.319 1.500 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000289843620 171332410 /nfs/dbraw/zinc/33/24/10/171332410.db2.gz KHDFKIAUGLEWTO-VHSXEESVSA-N 1 2 238.335 1.111 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279435324 171362189 /nfs/dbraw/zinc/36/21/89/171362189.db2.gz MTYUGUIYPAXRHE-DTWKUNHWSA-N 1 2 223.320 1.811 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279435324 171362190 /nfs/dbraw/zinc/36/21/90/171362190.db2.gz MTYUGUIYPAXRHE-DTWKUNHWSA-N 1 2 223.320 1.811 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000362978332 171368659 /nfs/dbraw/zinc/36/86/59/171368659.db2.gz ZGRYQAREXRSROS-WCQGTBRESA-N 1 2 243.347 1.589 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000331081982 171380030 /nfs/dbraw/zinc/38/00/30/171380030.db2.gz YCMCDQUIIFSDKJ-WCBMZHEXSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000331081982 171380031 /nfs/dbraw/zinc/38/00/31/171380031.db2.gz YCMCDQUIIFSDKJ-WCBMZHEXSA-N 1 2 225.292 1.087 20 0 BDADLO COc1nc(C)cc(N(C)Cc2[nH+]ccn2C)n1 ZINC000680619962 487622249 /nfs/dbraw/zinc/62/22/49/487622249.db2.gz GRQDZSVKOOTIEN-UHFFFAOYSA-N 1 2 247.302 1.164 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364399459 171387362 /nfs/dbraw/zinc/38/73/62/171387362.db2.gz JGYLBGAACKBOJG-SRVKXCTJSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(CCCF)NCCCn1cc[nH+]c1 ZINC000665105395 412094860 /nfs/dbraw/zinc/09/48/60/412094860.db2.gz MOSFAPRINZCSEN-UHFFFAOYSA-N 1 2 213.256 1.139 20 0 BDADLO Cc1ccoc1CC(=O)NCCCn1cc[nH+]c1 ZINC000665105500 412096045 /nfs/dbraw/zinc/09/60/45/412096045.db2.gz AFZDJFKQXFBLDZ-UHFFFAOYSA-N 1 2 247.298 1.534 20 0 BDADLO COc1cc[nH+]cc1Cn1ccc(C)nc1=O ZINC000383439234 487622357 /nfs/dbraw/zinc/62/23/57/487622357.db2.gz GETCKJCWASVPCT-UHFFFAOYSA-N 1 2 231.255 1.004 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@@](C)(C(F)F)C2)c1 ZINC000662368588 412126253 /nfs/dbraw/zinc/12/62/53/412126253.db2.gz CVTKMJPJWATZSE-LLVKDONJSA-N 1 2 245.273 1.276 20 0 BDADLO C[N@H+](CC(=O)Nc1ccon1)Cc1ccoc1 ZINC000618446190 412203474 /nfs/dbraw/zinc/20/34/74/412203474.db2.gz XUMZJLHNDJJSJQ-UHFFFAOYSA-N 1 2 235.243 1.338 20 0 BDADLO C[N@@H+](CC(=O)Nc1ccon1)Cc1ccoc1 ZINC000618446190 412203477 /nfs/dbraw/zinc/20/34/77/412203477.db2.gz XUMZJLHNDJJSJQ-UHFFFAOYSA-N 1 2 235.243 1.338 20 0 BDADLO CC[C@H](COC)[NH2+][C@@H](CC1CC1)C(=O)OC ZINC000414480010 487622631 /nfs/dbraw/zinc/62/26/31/487622631.db2.gz ALEPWRLUUIOALA-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665474215 412332731 /nfs/dbraw/zinc/33/27/31/412332731.db2.gz WYTAYUHBMXSLCY-UTUOFQBUSA-N 1 2 247.342 1.815 20 0 BDADLO COC(=O)[C@@H](C)CNc1nc[nH+]c2c1CCC2 ZINC000609111499 412333716 /nfs/dbraw/zinc/33/37/16/412333716.db2.gz KADVLMMAKBVXNX-QMMMGPOBSA-N 1 2 235.287 1.186 20 0 BDADLO CCCCN1CC(=O)N[C@@H]1c1c[nH+]c2n1CCC2 ZINC000663224889 412394499 /nfs/dbraw/zinc/39/44/99/412394499.db2.gz CRDVGHZQKZAXRK-ZDUSSCGKSA-N 1 2 248.330 1.060 20 0 BDADLO CC(C)n1[nH]cnc1=NCc1c[nH+]c2n1CCC2 ZINC000663258627 412402171 /nfs/dbraw/zinc/40/21/71/412402171.db2.gz MNQMBCOHLPDSJX-UHFFFAOYSA-N 1 2 246.318 1.036 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)[nH]1 ZINC000271575172 172001967 /nfs/dbraw/zinc/00/19/67/172001967.db2.gz WFUMUKKGKKYHHX-DTWKUNHWSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nc([C@@H](C)[NH2+]CC(OC)OC)cs1 ZINC000189198959 172002911 /nfs/dbraw/zinc/00/29/11/172002911.db2.gz RUQWLXLVDGGQKW-MRVPVSSYSA-N 1 2 244.360 1.975 20 0 BDADLO CCc1nn(C)cc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000286302398 172043876 /nfs/dbraw/zinc/04/38/76/172043876.db2.gz XBAJMUFNPNOPGV-MRVPVSSYSA-N 1 2 219.292 1.879 20 0 BDADLO CCc1nnc(C)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000228446190 172046348 /nfs/dbraw/zinc/04/63/48/172046348.db2.gz FJGSLSXZJDIAPL-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1nnc(C[N@H+](CC)CCOC)o1 ZINC000336649477 172048549 /nfs/dbraw/zinc/04/85/49/172048549.db2.gz QZYMDMBNCRJLEK-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCc1nnc(C[N@@H+](CC)CCOC)o1 ZINC000336649477 172048551 /nfs/dbraw/zinc/04/85/51/172048551.db2.gz QZYMDMBNCRJLEK-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cccn2C)s1 ZINC000289893017 172051838 /nfs/dbraw/zinc/05/18/38/172051838.db2.gz SUDPZGHJTSNQME-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO CCc1noc(C)c1C[N@H+](C)Cc1cnccn1 ZINC000268118912 172076273 /nfs/dbraw/zinc/07/62/73/172076273.db2.gz FMPILTTZLWTRBC-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1noc(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000268118912 172076274 /nfs/dbraw/zinc/07/62/74/172076274.db2.gz FMPILTTZLWTRBC-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000268167126 172076843 /nfs/dbraw/zinc/07/68/43/172076843.db2.gz PVBRPDHUXMFQIF-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000268167126 172076846 /nfs/dbraw/zinc/07/68/46/172076846.db2.gz PVBRPDHUXMFQIF-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000268167128 172076953 /nfs/dbraw/zinc/07/69/53/172076953.db2.gz PVBRPDHUXMFQIF-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000268167128 172076955 /nfs/dbraw/zinc/07/69/55/172076955.db2.gz PVBRPDHUXMFQIF-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000187815551 172088795 /nfs/dbraw/zinc/08/87/95/172088795.db2.gz HMMHURKDDQFEFD-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000187815551 172088798 /nfs/dbraw/zinc/08/87/98/172088798.db2.gz HMMHURKDDQFEFD-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc(NCc2cccc3[nH+]ccn32)n1 ZINC000292836842 172089415 /nfs/dbraw/zinc/08/94/15/172089415.db2.gz UYSCGHDEQUPPGM-UHFFFAOYSA-N 1 2 243.270 1.892 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)C[C@H](C)OC)n1 ZINC000353224751 172090667 /nfs/dbraw/zinc/09/06/67/172090667.db2.gz CKKPQZFITWVUQA-IUCAKERBSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)C[C@H](C)OC)n1 ZINC000353224751 172090668 /nfs/dbraw/zinc/09/06/68/172090668.db2.gz CKKPQZFITWVUQA-IUCAKERBSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nsc(N2CCn3c[nH+]cc3C2)n1 ZINC000290617367 172104248 /nfs/dbraw/zinc/10/42/48/172104248.db2.gz GBXRYJFLPXGTNN-UHFFFAOYSA-N 1 2 235.316 1.317 20 0 BDADLO CCc1occc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290978846 172116029 /nfs/dbraw/zinc/11/60/29/172116029.db2.gz VGHLKWLRAIRLQP-UHFFFAOYSA-N 1 2 245.282 1.695 20 0 BDADLO CCn1cc(CC[N@H+](C)Cc2noc(C)n2)cn1 ZINC000276356161 172158189 /nfs/dbraw/zinc/15/81/89/172158189.db2.gz XJHCLJHHQSLUBA-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1cc(CC[N@@H+](C)Cc2noc(C)n2)cn1 ZINC000276356161 172158192 /nfs/dbraw/zinc/15/81/92/172158192.db2.gz XJHCLJHHQSLUBA-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368880505 172165997 /nfs/dbraw/zinc/16/59/97/172165997.db2.gz SWGWFPFJUBSXGD-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368880505 172166001 /nfs/dbraw/zinc/16/60/01/172166001.db2.gz SWGWFPFJUBSXGD-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc(C[NH2+]Cc2cscn2)cn1 ZINC000112097939 172171830 /nfs/dbraw/zinc/17/18/30/172171830.db2.gz YKAWHYFIMXDZAY-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCCc3[nH]ncc32)cn1 ZINC000367612143 172173500 /nfs/dbraw/zinc/17/35/00/172173500.db2.gz CZSKJERVUWFGRT-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CCn1cc(NC(=O)CCc2c[nH+]cn2C)cn1 ZINC000276522844 172179997 /nfs/dbraw/zinc/17/99/97/172179997.db2.gz CXEISCLQWKLKRS-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2ncnn2CC)cn1 ZINC000359052011 172193854 /nfs/dbraw/zinc/19/38/54/172193854.db2.gz DSEMIVSSCRQMIP-SNVBAGLBSA-N 1 2 248.334 1.365 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2ncnn2C)cn1 ZINC000353311417 172197934 /nfs/dbraw/zinc/19/79/34/172197934.db2.gz ZWRJFRJDVFJGOS-VHSXEESVSA-N 1 2 248.334 1.443 20 0 BDADLO CCn1ccnc1C(=O)Nc1c[nH+]ccc1OC ZINC000279279695 172217689 /nfs/dbraw/zinc/21/76/89/172217689.db2.gz WPPFTYLUBAUBEO-UHFFFAOYSA-N 1 2 246.270 1.559 20 0 BDADLO CCn1ccnc1C[N@H+](C)CCc1noc(C)n1 ZINC000341810551 172217948 /nfs/dbraw/zinc/21/79/48/172217948.db2.gz BLPVBMPQDGFKNN-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CCc1noc(C)n1 ZINC000341810551 172217951 /nfs/dbraw/zinc/21/79/51/172217951.db2.gz BLPVBMPQDGFKNN-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1ccnc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000336704684 172218198 /nfs/dbraw/zinc/21/81/98/172218198.db2.gz NJUUUOVTKGCZTK-GFCCVEGCSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000336704684 172218200 /nfs/dbraw/zinc/21/82/00/172218200.db2.gz NJUUUOVTKGCZTK-GFCCVEGCSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOCC[C@@H]1C ZINC000374991311 172220406 /nfs/dbraw/zinc/22/04/06/172220406.db2.gz QQHOGUXYCXCXQC-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOCC[C@@H]1C ZINC000374991311 172220408 /nfs/dbraw/zinc/22/04/08/172220408.db2.gz QQHOGUXYCXCXQC-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC(C)(C)[C@H]1C ZINC000336526111 172220550 /nfs/dbraw/zinc/22/05/50/172220550.db2.gz BLKUMLZZEJBYGL-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(=O)C(C)(C)C ZINC000297352569 172221639 /nfs/dbraw/zinc/22/16/39/172221639.db2.gz YHPGFVDUWJDSMH-UHFFFAOYSA-N 1 2 237.303 1.134 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCCC(C)C ZINC000296136523 172222444 /nfs/dbraw/zinc/22/24/44/172222444.db2.gz JGAHJLPUIICNDI-UHFFFAOYSA-N 1 2 238.335 1.748 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC(C)C ZINC000295531717 172222595 /nfs/dbraw/zinc/22/25/95/172222595.db2.gz BVROGCCYXZVWFG-UHFFFAOYSA-N 1 2 209.293 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@](C)(CC)OC ZINC000295696532 172222849 /nfs/dbraw/zinc/22/28/49/172222849.db2.gz NUDLLHOBNPPCDR-GFCCVEGCSA-N 1 2 239.319 1.334 20 0 BDADLO CCn1cc[nH+]c1CS(=O)(=O)C1CCCC1 ZINC000081532494 172226189 /nfs/dbraw/zinc/22/61/89/172226189.db2.gz PFVQJNRPXOMRFX-UHFFFAOYSA-N 1 2 242.344 1.760 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NCC(F)(F)CO ZINC000296519396 172228850 /nfs/dbraw/zinc/22/88/50/172228850.db2.gz QYRLLXNUNFWTTD-QMMMGPOBSA-N 1 2 233.262 1.181 20 0 BDADLO CCn1c[nH+]cc1CN1CCC=C(F)C1 ZINC000334942693 172233568 /nfs/dbraw/zinc/23/35/68/172233568.db2.gz FJFVYHNTTLIOQX-UHFFFAOYSA-N 1 2 209.268 1.962 20 0 BDADLO CCn1nccc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187836475 172264842 /nfs/dbraw/zinc/26/48/42/172264842.db2.gz MEAIYYWGVBYYEN-QFYYESIMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1nccc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187836475 172264843 /nfs/dbraw/zinc/26/48/43/172264843.db2.gz MEAIYYWGVBYYEN-QFYYESIMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362516983 172267234 /nfs/dbraw/zinc/26/72/34/172267234.db2.gz VJMKNTHREZHHIF-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362516983 172267237 /nfs/dbraw/zinc/26/72/37/172267237.db2.gz VJMKNTHREZHHIF-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000122590998 172268536 /nfs/dbraw/zinc/26/85/36/172268536.db2.gz ZGYIJLZLBTURLF-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000122590998 172268538 /nfs/dbraw/zinc/26/85/38/172268538.db2.gz ZGYIJLZLBTURLF-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCCSCC1 ZINC000336614894 172278575 /nfs/dbraw/zinc/27/85/75/172278575.db2.gz IPOFVPYQIXIVAH-UHFFFAOYSA-N 1 2 226.349 1.237 20 0 BDADLO CCn1ncnc1C[N@H+]1CCCSCC1 ZINC000336614894 172278578 /nfs/dbraw/zinc/27/85/78/172278578.db2.gz IPOFVPYQIXIVAH-UHFFFAOYSA-N 1 2 226.349 1.237 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(C)(OC)CC1 ZINC000361521706 172279682 /nfs/dbraw/zinc/27/96/82/172279682.db2.gz HHVLPNMQIHNZEP-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359067677 172282577 /nfs/dbraw/zinc/28/25/77/172282577.db2.gz KFPYIUMCGOGBBM-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO CN(C(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000336507364 172321288 /nfs/dbraw/zinc/32/12/88/172321288.db2.gz OPLXMFWPUPETBM-UHFFFAOYSA-N 1 2 244.298 1.638 20 0 BDADLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000290841906 172324027 /nfs/dbraw/zinc/32/40/27/172324027.db2.gz YQXLKODFTFZFAN-UHFFFAOYSA-N 1 2 230.271 1.960 20 0 BDADLO C[NH+](C)c1ccc(NCN2CCC(=O)CC2)cc1 ZINC000273060494 172556884 /nfs/dbraw/zinc/55/68/84/172556884.db2.gz IZDNXAFQACCAKU-UHFFFAOYSA-N 1 2 247.342 1.787 20 0 BDADLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NC1CC1 ZINC000364542051 172834616 /nfs/dbraw/zinc/83/46/16/172834616.db2.gz ZDUMVUHRGGZILR-JTQLQIEISA-N 1 2 248.330 1.249 20 0 BDADLO FC(F)(F)C[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000662225827 487625718 /nfs/dbraw/zinc/62/57/18/487625718.db2.gz BINFNPFZTIDYDP-VIFPVBQESA-N 1 2 249.236 1.563 20 0 BDADLO FC(F)(F)C[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000662225827 487625724 /nfs/dbraw/zinc/62/57/24/487625724.db2.gz BINFNPFZTIDYDP-VIFPVBQESA-N 1 2 249.236 1.563 20 0 BDADLO CN(Cc1ccsc1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000035719315 172908322 /nfs/dbraw/zinc/90/83/22/172908322.db2.gz QPPJOFRWTSKTMK-LLVKDONJSA-N 1 2 238.356 1.849 20 0 BDADLO CN(c1[nH+]c2ccccc2n1C)[C@H]1CCNC1=O ZINC000328918739 172952955 /nfs/dbraw/zinc/95/29/55/172952955.db2.gz SFHWHPPOJZQCJB-NSHDSACASA-N 1 2 244.298 1.738 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000082303456 173071064 /nfs/dbraw/zinc/07/10/64/173071064.db2.gz UXKTWNPKBGQITD-UHFFFAOYSA-N 1 2 228.679 1.321 20 0 BDADLO C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000055527451 173071871 /nfs/dbraw/zinc/07/18/71/173071871.db2.gz XJEIUNGDKKSPBZ-UHFFFAOYSA-N 1 2 240.253 1.352 20 0 BDADLO CN1CC[N@H+](Cc2ccccn2)C(C)(C)C1 ZINC000271046375 173089191 /nfs/dbraw/zinc/08/91/91/173089191.db2.gz OJKMHQIKAAPBEG-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO CN1CC[N@@H+](Cc2ccccn2)C(C)(C)C1 ZINC000271046375 173089193 /nfs/dbraw/zinc/08/91/93/173089193.db2.gz OJKMHQIKAAPBEG-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO CN(c1ncnc2c1C[N@H+](C)CC2)[C@@H]1CC1(C)C ZINC000362844000 173174297 /nfs/dbraw/zinc/17/42/97/173174297.db2.gz UFMRUQNVEKHGEX-GFCCVEGCSA-N 1 2 246.358 1.699 20 0 BDADLO CN(c1ncnc2c1C[N@@H+](C)CC2)[C@@H]1CC1(C)C ZINC000362844000 173174301 /nfs/dbraw/zinc/17/43/01/173174301.db2.gz UFMRUQNVEKHGEX-GFCCVEGCSA-N 1 2 246.358 1.699 20 0 BDADLO CN(c1ncnc2c1C[N@H+](C)CC2)[C@H]1CC1(C)C ZINC000362844001 173175482 /nfs/dbraw/zinc/17/54/82/173175482.db2.gz UFMRUQNVEKHGEX-LBPRGKRZSA-N 1 2 246.358 1.699 20 0 BDADLO CN(c1ncnc2c1C[N@@H+](C)CC2)[C@H]1CC1(C)C ZINC000362844001 173175483 /nfs/dbraw/zinc/17/54/83/173175483.db2.gz UFMRUQNVEKHGEX-LBPRGKRZSA-N 1 2 246.358 1.699 20 0 BDADLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000363158711 173201662 /nfs/dbraw/zinc/20/16/62/173201662.db2.gz CXGOCUGBFAAOHO-AWEZNQCLSA-N 1 2 242.326 1.686 20 0 BDADLO CNC(=O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000264791567 173243400 /nfs/dbraw/zinc/24/34/00/173243400.db2.gz AVJPXDUIFWMORT-UHFFFAOYSA-N 1 2 234.303 1.292 20 0 BDADLO CNC(=O)CCNc1ccc2ccccc2[nH+]1 ZINC000044996009 173262490 /nfs/dbraw/zinc/26/24/90/173262490.db2.gz GLJKWAFJQOOJHV-UHFFFAOYSA-N 1 2 229.283 1.783 20 0 BDADLO CNC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000127794105 173272426 /nfs/dbraw/zinc/27/24/26/173272426.db2.gz OUKFJIYOFACMCL-SECBINFHSA-N 1 2 222.288 1.551 20 0 BDADLO CNC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000127794105 173272429 /nfs/dbraw/zinc/27/24/29/173272429.db2.gz OUKFJIYOFACMCL-SECBINFHSA-N 1 2 222.288 1.551 20 0 BDADLO CNC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000037224848 173278070 /nfs/dbraw/zinc/27/80/70/173278070.db2.gz QCEMCUUJJJFUDY-SSDOTTSWSA-N 1 2 228.242 1.361 20 0 BDADLO CNC(=O)C[C@H](C)[NH2+]c1ccc2c(c1)CCO2 ZINC000272215295 173283175 /nfs/dbraw/zinc/28/31/75/173283175.db2.gz VOCALLSLCXOIMJ-VIFPVBQESA-N 1 2 234.299 1.558 20 0 BDADLO CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340946521 173283575 /nfs/dbraw/zinc/28/35/75/173283575.db2.gz GXDCMPYLXMCYLC-LLVKDONJSA-N 1 2 229.283 1.678 20 0 BDADLO CNC(=O)N1CC[NH+](Cc2occc2C)CC1 ZINC000271193866 173285445 /nfs/dbraw/zinc/28/54/45/173285445.db2.gz RFQYEYCJNDBNHE-UHFFFAOYSA-N 1 2 237.303 1.045 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037073691 173785131 /nfs/dbraw/zinc/78/51/31/173785131.db2.gz CIQLLZVSKBIIRC-QWRGUYRKSA-N 1 2 221.300 1.941 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000309418999 173785806 /nfs/dbraw/zinc/78/58/06/173785806.db2.gz DEZWLXSFFPCIQP-IDKOKCKLSA-N 1 2 229.320 1.484 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C1CC1 ZINC000336773955 173804424 /nfs/dbraw/zinc/80/44/24/173804424.db2.gz WNJLMXGLAIYBFQ-JMJZKYOTSA-N 1 2 227.304 1.095 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(C)C ZINC000191717054 173805684 /nfs/dbraw/zinc/80/56/84/173805684.db2.gz HNXQZIGVEXDRIL-IVZWLZJFSA-N 1 2 217.309 1.197 20 0 BDADLO Cn1c[nH+]cc1C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000662227222 487627996 /nfs/dbraw/zinc/62/79/96/487627996.db2.gz YHAMDOXDRRMSQN-UHFFFAOYSA-N 1 2 239.319 1.353 20 0 BDADLO Cn1c[nH+]cc1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662227222 487627999 /nfs/dbraw/zinc/62/79/99/487627999.db2.gz YHAMDOXDRRMSQN-UHFFFAOYSA-N 1 2 239.319 1.353 20 0 BDADLO COC1(CNC(=O)c2c[nH+]c(C)[nH]2)CCCC1 ZINC000295255400 174000106 /nfs/dbraw/zinc/00/01/06/174000106.db2.gz FNLIUGZNJRHFDM-UHFFFAOYSA-N 1 2 237.303 1.407 20 0 BDADLO COC1(CNc2ccc(CO)c[nH+]2)CCCC1 ZINC000356321556 174006632 /nfs/dbraw/zinc/00/66/32/174006632.db2.gz QJEJLAREXGCPRU-UHFFFAOYSA-N 1 2 236.315 1.945 20 0 BDADLO COCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000131652020 174060717 /nfs/dbraw/zinc/06/07/17/174060717.db2.gz JRBRDGWEZPMNCP-UHFFFAOYSA-N 1 2 238.287 1.844 20 0 BDADLO COCC1(C[N@H+](C)Cc2nnc[nH]2)CCC1 ZINC000361307925 174095843 /nfs/dbraw/zinc/09/58/43/174095843.db2.gz JBUAYBANZJIQPF-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO COCC1(C[N@@H+](C)Cc2nnc[nH]2)CCC1 ZINC000361307925 174095846 /nfs/dbraw/zinc/09/58/46/174095846.db2.gz JBUAYBANZJIQPF-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO COCC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000358514264 174120466 /nfs/dbraw/zinc/12/04/66/174120466.db2.gz VPFNTAYYIGQMCZ-UHFFFAOYSA-N 1 2 241.360 1.705 20 0 BDADLO COCCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000362931528 174217468 /nfs/dbraw/zinc/21/74/68/174217468.db2.gz CKPZYJUJQYBVLP-UHFFFAOYSA-N 1 2 248.277 1.012 20 0 BDADLO COCCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000362931528 174217470 /nfs/dbraw/zinc/21/74/70/174217470.db2.gz CKPZYJUJQYBVLP-UHFFFAOYSA-N 1 2 248.277 1.012 20 0 BDADLO COCCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338231870 174219233 /nfs/dbraw/zinc/21/92/33/174219233.db2.gz BAVBRXZYGLQEGL-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO COCCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338231870 174219235 /nfs/dbraw/zinc/21/92/35/174219235.db2.gz BAVBRXZYGLQEGL-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO COCCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116895328 174231389 /nfs/dbraw/zinc/23/13/89/174231389.db2.gz CLAANKHWKJDFIA-LBPRGKRZSA-N 1 2 239.315 1.998 20 0 BDADLO COCCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116895328 174231391 /nfs/dbraw/zinc/23/13/91/174231391.db2.gz CLAANKHWKJDFIA-LBPRGKRZSA-N 1 2 239.315 1.998 20 0 BDADLO COCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275888922 174251096 /nfs/dbraw/zinc/25/10/96/174251096.db2.gz RRYJDSGMVBIWKI-GFCCVEGCSA-N 1 2 246.314 1.520 20 0 BDADLO COCCN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287492828 174271796 /nfs/dbraw/zinc/27/17/96/174271796.db2.gz KZKUWMQSNDNTIM-UHFFFAOYSA-N 1 2 237.303 1.809 20 0 BDADLO COCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338233444 174280003 /nfs/dbraw/zinc/28/00/03/174280003.db2.gz BXMQKDADMKDWQK-UHFFFAOYSA-N 1 2 226.324 1.111 20 0 BDADLO COCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338233444 174280006 /nfs/dbraw/zinc/28/00/06/174280006.db2.gz BXMQKDADMKDWQK-UHFFFAOYSA-N 1 2 226.324 1.111 20 0 BDADLO COCC[N@H+](Cc1ccco1)Cc1ccnn1C ZINC000092562459 174300633 /nfs/dbraw/zinc/30/06/33/174300633.db2.gz MLHAEFJDBPXFQL-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO COCC[N@@H+](Cc1ccco1)Cc1ccnn1C ZINC000092562459 174300634 /nfs/dbraw/zinc/30/06/34/174300634.db2.gz MLHAEFJDBPXFQL-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157520929 174311960 /nfs/dbraw/zinc/31/19/60/174311960.db2.gz RCZUYXDAYVXFOZ-SNVBAGLBSA-N 1 2 227.329 1.768 20 0 BDADLO COCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157520929 174311963 /nfs/dbraw/zinc/31/19/63/174311963.db2.gz RCZUYXDAYVXFOZ-SNVBAGLBSA-N 1 2 227.329 1.768 20 0 BDADLO COCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000183599979 174318121 /nfs/dbraw/zinc/31/81/21/174318121.db2.gz UJHPELSPYQTRPH-CYBMUJFWSA-N 1 2 249.310 1.233 20 0 BDADLO COCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000183599979 174318122 /nfs/dbraw/zinc/31/81/22/174318122.db2.gz UJHPELSPYQTRPH-CYBMUJFWSA-N 1 2 249.310 1.233 20 0 BDADLO COCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301884867 174342648 /nfs/dbraw/zinc/34/26/48/174342648.db2.gz LRWDSSVAFRCMRF-UHFFFAOYSA-N 1 2 249.318 1.640 20 0 BDADLO COCCOC[C@H](C)Nc1cccc[nH+]1 ZINC000336759912 174362802 /nfs/dbraw/zinc/36/28/02/174362802.db2.gz LGOCARINEHTWCD-JTQLQIEISA-N 1 2 210.277 1.545 20 0 BDADLO COCCO[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000302534391 174365868 /nfs/dbraw/zinc/36/58/68/174365868.db2.gz MEUGGZPVQCJCEI-LLVKDONJSA-N 1 2 237.303 1.027 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OC ZINC000355088666 174586157 /nfs/dbraw/zinc/58/61/57/174586157.db2.gz PNWUCAFEIPYQMO-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO CON(CC(C)(C)C)C(=O)CCn1cc[nH+]c1 ZINC000286120907 174660812 /nfs/dbraw/zinc/66/08/12/174660812.db2.gz FEAVHKAXCAPSBM-UHFFFAOYSA-N 1 2 239.319 1.709 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000336689625 174760907 /nfs/dbraw/zinc/76/09/07/174760907.db2.gz ZPPXRESLKSYZAF-MRVPVSSYSA-N 1 2 231.246 1.499 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000336689625 174760909 /nfs/dbraw/zinc/76/09/09/174760909.db2.gz ZPPXRESLKSYZAF-MRVPVSSYSA-N 1 2 231.246 1.499 20 0 BDADLO COc1cc(N[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000090790362 175004138 /nfs/dbraw/zinc/00/41/38/175004138.db2.gz QUHDCDORGXLQQO-SECBINFHSA-N 1 2 233.275 1.182 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CC3)cc1O ZINC000338999961 175101869 /nfs/dbraw/zinc/10/18/69/175101869.db2.gz ROTSCONMOJVEIN-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CC3)cc1O ZINC000338999961 175101870 /nfs/dbraw/zinc/10/18/70/175101870.db2.gz ROTSCONMOJVEIN-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1ccc(OC)c([C@@H](O)Cn2cc[nH+]c2)c1 ZINC000041300594 175167967 /nfs/dbraw/zinc/16/79/67/175167967.db2.gz DZDOSONQLPCIHS-LBPRGKRZSA-N 1 2 248.282 1.634 20 0 BDADLO COc1ccc2c(c1)[nH+]ccc2OCCO ZINC000053994788 175205356 /nfs/dbraw/zinc/20/53/56/175205356.db2.gz JKCOXELNHWVXGY-UHFFFAOYSA-N 1 2 219.240 1.615 20 0 BDADLO COc1cccc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)c1 ZINC000035676599 175238359 /nfs/dbraw/zinc/23/83/59/175238359.db2.gz XICKSEVJZSUBBR-XCBNKYQSSA-N 1 2 249.270 1.126 20 0 BDADLO COc1cccc(-c2noc([C@H]([NH3+])[C@@H](C)O)n2)c1 ZINC000035676601 175238721 /nfs/dbraw/zinc/23/87/21/175238721.db2.gz XICKSEVJZSUBBR-GMSGAONNSA-N 1 2 249.270 1.126 20 0 BDADLO COc1cccc(C[NH+]2CC(C)(OC)C2)n1 ZINC000362313415 175257658 /nfs/dbraw/zinc/25/76/58/175257658.db2.gz UJTDZTFSOVVCDD-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[NH+]2CC(NC(C)=O)C2)c1 ZINC000291380402 175257773 /nfs/dbraw/zinc/25/77/73/175257773.db2.gz AVXRJQRQFJRPKK-UHFFFAOYSA-N 1 2 234.299 1.016 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000264789120 175259950 /nfs/dbraw/zinc/25/99/50/175259950.db2.gz BHUCOMTTXUOEFZ-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000264789120 175259951 /nfs/dbraw/zinc/25/99/51/175259951.db2.gz BHUCOMTTXUOEFZ-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000339223822 175263294 /nfs/dbraw/zinc/26/32/94/175263294.db2.gz CVWXXWNUUUWLHF-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000287197658 175293559 /nfs/dbraw/zinc/29/35/59/175293559.db2.gz WEKZCUMQGZLFHZ-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccnc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000263993980 175364259 /nfs/dbraw/zinc/36/42/59/175364259.db2.gz HMTHOWGNSPMRMU-SNVBAGLBSA-N 1 2 247.302 1.430 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000287357391 175369563 /nfs/dbraw/zinc/36/95/63/175369563.db2.gz PMOYHGZZZNXXBF-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000287357391 175369564 /nfs/dbraw/zinc/36/95/64/175369564.db2.gz PMOYHGZZZNXXBF-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1CC1 ZINC000293218101 175370730 /nfs/dbraw/zinc/37/07/30/175370730.db2.gz CBECIOUAKFMWFH-UHFFFAOYSA-N 1 2 206.245 1.116 20 0 BDADLO COc1ccncc1C[NH2+]Cc1cscn1 ZINC000292517235 175371831 /nfs/dbraw/zinc/37/18/31/175371831.db2.gz DPOZNTUDVFHRRO-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO COc1cc[nH+]cc1CSCC(=O)N(C)C ZINC000342083302 175372704 /nfs/dbraw/zinc/37/27/04/175372704.db2.gz KRFWXCYQULXXEB-UHFFFAOYSA-N 1 2 240.328 1.412 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccnn1C ZINC000286859330 175373197 /nfs/dbraw/zinc/37/31/97/175373197.db2.gz BWSUPRVUNZIDOG-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO COc1cc[nH+]cc1COC(=O)CC1CC1 ZINC000288791742 175373823 /nfs/dbraw/zinc/37/38/23/175373823.db2.gz SMHWNUKXPRFCRY-UHFFFAOYSA-N 1 2 221.256 1.934 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCC(C)=O ZINC000299588974 175374581 /nfs/dbraw/zinc/37/45/81/175374581.db2.gz SQDCDUGUERBDHA-UHFFFAOYSA-N 1 2 222.244 1.398 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cncs1 ZINC000361682222 175374975 /nfs/dbraw/zinc/37/49/75/175374975.db2.gz MNKSNAMETFDPOB-UHFFFAOYSA-N 1 2 249.295 1.728 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCSC1 ZINC000336353939 175375382 /nfs/dbraw/zinc/37/53/82/175375382.db2.gz CKRDAYUWMCEDJF-MRVPVSSYSA-N 1 2 238.312 1.782 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cscn1 ZINC000103005128 175376044 /nfs/dbraw/zinc/37/60/44/175376044.db2.gz TWCYPBRDBILPQV-UHFFFAOYSA-N 1 2 235.268 1.799 20 0 BDADLO COc1cc[nH+]cc1NCc1cn(C(C)C)nn1 ZINC000287047015 175376362 /nfs/dbraw/zinc/37/63/62/175376362.db2.gz WTWBEKJNHRVYPU-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000289278779 175383784 /nfs/dbraw/zinc/38/37/84/175383784.db2.gz PXAPQBAOKOIITG-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000289278779 175383785 /nfs/dbraw/zinc/38/37/85/175383785.db2.gz PXAPQBAOKOIITG-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cncc(C[N@H+](C(C)C)C2COC2)c1 ZINC000295410158 175384744 /nfs/dbraw/zinc/38/47/44/175384744.db2.gz MTMFSSYYBNPQNY-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@@H+](C(C)C)C2COC2)c1 ZINC000295410158 175384745 /nfs/dbraw/zinc/38/47/45/175384745.db2.gz MTMFSSYYBNPQNY-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(COCc2[nH]cc[nH+]2)c1 ZINC000288743662 175386115 /nfs/dbraw/zinc/38/61/15/175386115.db2.gz XLVMJFMYIUBKSA-UHFFFAOYSA-N 1 2 219.244 1.530 20 0 BDADLO COc1nc(C)cc(C)c1Cn1cc[nH+]c1 ZINC000286479492 175390116 /nfs/dbraw/zinc/39/01/16/175390116.db2.gz KPLWZURNJJWYBG-UHFFFAOYSA-N 1 2 217.272 1.952 20 0 BDADLO COc1ncc(C[NH2+][C@@H](C)c2ccon2)c(C)n1 ZINC000337207283 175398650 /nfs/dbraw/zinc/39/86/50/175398650.db2.gz OHDMCEHTWUUFER-VIFPVBQESA-N 1 2 248.286 1.632 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1F)c1ncnn1C ZINC000276615246 175900833 /nfs/dbraw/zinc/90/08/33/175900833.db2.gz DLLLQQDZAUZWEE-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)C1CCC1 ZINC000302903802 175936714 /nfs/dbraw/zinc/93/67/14/175936714.db2.gz UULOTOPNBMTHFS-SSDOTTSWSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287011460 176037519 /nfs/dbraw/zinc/03/75/19/176037519.db2.gz RLQDNVPTMDJAAK-JQWIXIFHSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287011460 176037520 /nfs/dbraw/zinc/03/75/20/176037520.db2.gz RLQDNVPTMDJAAK-JQWIXIFHSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000336259460 176066121 /nfs/dbraw/zinc/06/61/21/176066121.db2.gz CTSGUBNGVGUTFL-GHMZBOCLSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000336259460 176066123 /nfs/dbraw/zinc/06/61/23/176066123.db2.gz CTSGUBNGVGUTFL-GHMZBOCLSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000288019795 176103973 /nfs/dbraw/zinc/10/39/73/176103973.db2.gz LAQXXLSHYUBUFZ-SECBINFHSA-N 1 2 207.277 1.353 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000105067120 176148793 /nfs/dbraw/zinc/14/87/93/176148793.db2.gz RCUUIQHAUJXVKH-GHMZBOCLSA-N 1 2 236.319 1.371 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000289230976 176155586 /nfs/dbraw/zinc/15/55/86/176155586.db2.gz OKROCBLNVFPQDR-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H]1CC[N@H+](CC2(O)CCC2)CC1(F)F ZINC000335834009 176168460 /nfs/dbraw/zinc/16/84/60/176168460.db2.gz HHCAZRQKQSUEAZ-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO C[C@@H]1CC[N@@H+](CC2(O)CCC2)CC1(F)F ZINC000335834009 176168462 /nfs/dbraw/zinc/16/84/62/176168462.db2.gz HHCAZRQKQSUEAZ-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CC12CCC2 ZINC000329267426 176177997 /nfs/dbraw/zinc/17/79/97/176177997.db2.gz GIXGEWDIJBRRIM-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC12CCC2 ZINC000329267426 176177998 /nfs/dbraw/zinc/17/79/98/176177998.db2.gz GIXGEWDIJBRRIM-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC000175058371 176182386 /nfs/dbraw/zinc/18/23/86/176182386.db2.gz LUPASMPRNAHHRX-RKDXNWHRSA-N 1 2 231.303 1.598 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCCNc2cccc[nH+]2)O1 ZINC000331089255 176195228 /nfs/dbraw/zinc/19/52/28/176195228.db2.gz TUYREAKBEXNSHD-MNOVXSKESA-N 1 2 249.314 1.177 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ncon2)O1 ZINC000365057390 176223908 /nfs/dbraw/zinc/22/39/08/176223908.db2.gz ZNPSQKYQBIFHNY-GMTAPVOTSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ncon2)O1 ZINC000365057390 176223910 /nfs/dbraw/zinc/22/39/10/176223910.db2.gz ZNPSQKYQBIFHNY-GMTAPVOTSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CC[C@H]([N@H+](CCO)CC(F)F)C1 ZINC000339141803 176229037 /nfs/dbraw/zinc/22/90/37/176229037.db2.gz LNMLDZZJIRPRSB-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CC[C@H]([N@@H+](CCO)CC(F)F)C1 ZINC000339141803 176229038 /nfs/dbraw/zinc/22/90/38/176229038.db2.gz LNMLDZZJIRPRSB-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)[C@@H]1C ZINC000334094841 176252009 /nfs/dbraw/zinc/25/20/09/176252009.db2.gz QQSGHZTUCKLKGD-GWOFURMSSA-N 1 2 248.330 1.939 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000366207685 176258562 /nfs/dbraw/zinc/25/85/62/176258562.db2.gz SEUMFINFAJVSAH-ZJUUUORDSA-N 1 2 249.314 1.077 20 0 BDADLO C[C@@H]1C[N@H+](CCOc2ccccc2)CC(=O)N1C ZINC000282136741 176292908 /nfs/dbraw/zinc/29/29/08/176292908.db2.gz KKLOVVROCJGAOC-GFCCVEGCSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@@H]1C[N@@H+](CCOc2ccccc2)CC(=O)N1C ZINC000282136741 176292910 /nfs/dbraw/zinc/29/29/10/176292910.db2.gz KKLOVVROCJGAOC-GFCCVEGCSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCCC[C@H]21 ZINC000331516718 176312598 /nfs/dbraw/zinc/31/25/98/176312598.db2.gz DKDSFAKXFYRMFU-KXUCPTDWSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCCC[C@H]21 ZINC000331516718 176312600 /nfs/dbraw/zinc/31/26/00/176312600.db2.gz DKDSFAKXFYRMFU-KXUCPTDWSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1CO ZINC000276717934 176320075 /nfs/dbraw/zinc/32/00/75/176320075.db2.gz KCYGUBJKBDEHTD-MNOVXSKESA-N 1 2 243.310 1.694 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1CO ZINC000276671074 176320968 /nfs/dbraw/zinc/32/09/68/176320968.db2.gz DQAAFIRAJLAZOJ-ZJUUUORDSA-N 1 2 231.299 1.628 20 0 BDADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CCCO1 ZINC000192301681 176321753 /nfs/dbraw/zinc/32/17/53/176321753.db2.gz XKNCRQXWNVMEJZ-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CCCO1 ZINC000192301681 176321754 /nfs/dbraw/zinc/32/17/54/176321754.db2.gz XKNCRQXWNVMEJZ-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375941497 176385677 /nfs/dbraw/zinc/38/56/77/176385677.db2.gz LNYMLIBISINWDL-WOPDTQHZSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264604790 176395863 /nfs/dbraw/zinc/39/58/63/176395863.db2.gz YVMPIMZITAUHKW-MWLCHTKSSA-N 1 2 229.283 1.720 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H](C)CO ZINC000156650228 176711235 /nfs/dbraw/zinc/71/12/35/176711235.db2.gz LKFPJTSVYPGLPW-RKDXNWHRSA-N 1 2 221.304 1.783 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1nccs1 ZINC000070733129 176916063 /nfs/dbraw/zinc/91/60/63/176916063.db2.gz TZMVYYYNATUOMW-SFYZADRCSA-N 1 2 227.333 1.270 20 0 BDADLO C[C@H](O)[C@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000035660361 177012875 /nfs/dbraw/zinc/01/28/75/177012875.db2.gz SXRJVBPZOKUWTP-RCOVLWMOSA-N 1 2 237.234 1.256 20 0 BDADLO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278802634 177031746 /nfs/dbraw/zinc/03/17/46/177031746.db2.gz OSNMHTIKTGIXAA-ONOSFVFSSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278802634 177031748 /nfs/dbraw/zinc/03/17/48/177031748.db2.gz OSNMHTIKTGIXAA-ONOSFVFSSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC1 ZINC000271554370 177044727 /nfs/dbraw/zinc/04/47/27/177044727.db2.gz OSRDJGROHABKGU-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC1 ZINC000271554370 177044728 /nfs/dbraw/zinc/04/47/28/177044728.db2.gz OSRDJGROHABKGU-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282208105 177044887 /nfs/dbraw/zinc/04/48/87/177044887.db2.gz OGDFILVPBDJAMA-GHMZBOCLSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282208105 177044889 /nfs/dbraw/zinc/04/48/89/177044889.db2.gz OGDFILVPBDJAMA-GHMZBOCLSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)Cc1cc[nH]n1 ZINC000172250794 177045376 /nfs/dbraw/zinc/04/53/76/177045376.db2.gz FWNNMSYFBBYJDA-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000172250794 177045378 /nfs/dbraw/zinc/04/53/78/177045378.db2.gz FWNNMSYFBBYJDA-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338384119 177046042 /nfs/dbraw/zinc/04/60/42/177046042.db2.gz SLDYURLOFMBRDO-RTXFEEFZSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338384119 177046044 /nfs/dbraw/zinc/04/60/44/177046044.db2.gz SLDYURLOFMBRDO-RTXFEEFZSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000172289317 177059044 /nfs/dbraw/zinc/05/90/44/177059044.db2.gz PJABYZFIMMISKB-NSHDSACASA-N 1 2 244.338 1.496 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000172289317 177059045 /nfs/dbraw/zinc/05/90/45/177059045.db2.gz PJABYZFIMMISKB-NSHDSACASA-N 1 2 244.338 1.496 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1 ZINC000106934013 177059108 /nfs/dbraw/zinc/05/91/08/177059108.db2.gz HEUZXAORNVEWFT-ZCRIDZFUSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1 ZINC000106934013 177059109 /nfs/dbraw/zinc/05/91/09/177059109.db2.gz HEUZXAORNVEWFT-ZCRIDZFUSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290953668 177067186 /nfs/dbraw/zinc/06/71/86/177067186.db2.gz QJMQZQYNVOXIDE-WBOGTDJTSA-N 1 2 245.326 1.972 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377463637 177073244 /nfs/dbraw/zinc/07/32/44/177073244.db2.gz GOXJQZSVMAKEQO-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000104094947 177099127 /nfs/dbraw/zinc/09/91/27/177099127.db2.gz LPBIRSPWEXBYQO-JTQLQIEISA-N 1 2 246.314 1.255 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000104094947 177099128 /nfs/dbraw/zinc/09/91/28/177099128.db2.gz LPBIRSPWEXBYQO-JTQLQIEISA-N 1 2 246.314 1.255 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000357687120 177124117 /nfs/dbraw/zinc/12/41/17/177124117.db2.gz JPHAORHTOAHYHM-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000293011442 177128504 /nfs/dbraw/zinc/12/85/04/177128504.db2.gz NZEHDBAXONSVMS-GXSJLCMTSA-N 1 2 209.293 1.050 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339165062 177140075 /nfs/dbraw/zinc/14/00/75/177140075.db2.gz PQDKRLXBMIVSNA-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccco2)CC[S@]1=O ZINC000277752667 177165481 /nfs/dbraw/zinc/16/54/81/177165481.db2.gz VAMFTAUTEQOROC-ZUZCIYMTSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccco2)CC[S@]1=O ZINC000277752667 177165483 /nfs/dbraw/zinc/16/54/83/177165483.db2.gz VAMFTAUTEQOROC-ZUZCIYMTSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CCN(c2nncs2)C[C@H]1n1cc[nH+]c1 ZINC000297352218 177172736 /nfs/dbraw/zinc/17/27/36/177172736.db2.gz BNHMUKOJODUQMG-VHSXEESVSA-N 1 2 249.343 1.822 20 0 BDADLO C[C@H]1CCNC(=O)[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000193522878 177174792 /nfs/dbraw/zinc/17/47/92/177174792.db2.gz MWPVIVAAMAJHJS-KWQFWETISA-N 1 2 246.314 1.291 20 0 BDADLO C[C@H]1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC000337938684 177191695 /nfs/dbraw/zinc/19/16/95/177191695.db2.gz UNFQXFGDHARCFI-VHSXEESVSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000123461891 177198940 /nfs/dbraw/zinc/19/89/40/177198940.db2.gz IZVXFFBVBHSWJR-UWVGGRQHSA-N 1 2 246.314 1.395 20 0 BDADLO C[C@H]1CC[C@H](CCC(=O)NCc2[nH]cc[nH+]2)O1 ZINC000266593460 177200595 /nfs/dbraw/zinc/20/05/95/177200595.db2.gz SZRLPDOOOXLNFJ-VHSXEESVSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@H]1CC[C@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302869900 177205732 /nfs/dbraw/zinc/20/57/32/177205732.db2.gz BBNFPNNJVIKOFW-YUMQZZPRSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@H]1C[N@H+](CCO[C@@H]2CCCCO2)CCC1=O ZINC000338565873 177252273 /nfs/dbraw/zinc/25/22/73/177252273.db2.gz BWOQPFRWYOTCEI-WCQYABFASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CCC1=O ZINC000338565873 177252275 /nfs/dbraw/zinc/25/22/75/177252275.db2.gz BWOQPFRWYOTCEI-WCQYABFASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@H+](CCO)C[C@H](c2ccsc2)O1 ZINC000120613114 177252292 /nfs/dbraw/zinc/25/22/92/177252292.db2.gz IGQTWMWZXJQGGJ-GXSJLCMTSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@H]1C[N@@H+](CCO)C[C@H](c2ccsc2)O1 ZINC000120613114 177252294 /nfs/dbraw/zinc/25/22/94/177252294.db2.gz IGQTWMWZXJQGGJ-GXSJLCMTSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC(=O)N1 ZINC000295076036 177263220 /nfs/dbraw/zinc/26/32/20/177263220.db2.gz RLTIXTJNBIHRPY-NSHDSACASA-N 1 2 244.338 1.496 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC(=O)N1 ZINC000295076036 177263222 /nfs/dbraw/zinc/26/32/22/177263222.db2.gz RLTIXTJNBIHRPY-NSHDSACASA-N 1 2 244.338 1.496 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccn1 ZINC000299668237 177266596 /nfs/dbraw/zinc/26/65/96/177266596.db2.gz RPHKWMWFIDNJJT-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccn1 ZINC000299668237 177266598 /nfs/dbraw/zinc/26/65/98/177266598.db2.gz RPHKWMWFIDNJJT-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)C[C@H](C2CC2)O1 ZINC000336543130 177267222 /nfs/dbraw/zinc/26/72/22/177267222.db2.gz QIBMMLNUHWDERQ-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H](C2CC2)O1 ZINC000336543130 177267223 /nfs/dbraw/zinc/26/72/23/177267223.db2.gz QIBMMLNUHWDERQ-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[NH+](Cc2ccn(C)n2)C[C@H](C)O1 ZINC000269539751 177267683 /nfs/dbraw/zinc/26/76/83/177267683.db2.gz WGYLRIIOPKCYBS-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccon2)C[C@@H](C2CC2)O1 ZINC000279276762 177268615 /nfs/dbraw/zinc/26/86/15/177268615.db2.gz JVWBOHCCRAJJOW-CABZTGNLSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccon2)C[C@@H](C2CC2)O1 ZINC000279276762 177268616 /nfs/dbraw/zinc/26/86/16/177268616.db2.gz JVWBOHCCRAJJOW-CABZTGNLSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H](C)O1 ZINC000126987505 177269231 /nfs/dbraw/zinc/26/92/31/177269231.db2.gz QCWHIGIXUOCCJB-DTORHVGOSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)C[C@H](C)O1 ZINC000126987505 177269233 /nfs/dbraw/zinc/26/92/33/177269233.db2.gz QCWHIGIXUOCCJB-DTORHVGOSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCC1=O ZINC000168903581 177269397 /nfs/dbraw/zinc/26/93/97/177269397.db2.gz ZOENIVYLWSVMSO-NSHDSACASA-N 1 2 243.310 1.745 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H](C)O1 ZINC000070921323 177270035 /nfs/dbraw/zinc/27/00/35/177270035.db2.gz VTRIXKURGGMLIT-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H](C)O1 ZINC000070921323 177270037 /nfs/dbraw/zinc/27/00/37/177270037.db2.gz VTRIXKURGGMLIT-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(Cl)n2C)CCCO1 ZINC000170766916 177270395 /nfs/dbraw/zinc/27/03/95/177270395.db2.gz WJYTZDKDSBZYES-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)n2C)CCCO1 ZINC000170766916 177270397 /nfs/dbraw/zinc/27/03/97/177270397.db2.gz WJYTZDKDSBZYES-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296243394 177275113 /nfs/dbraw/zinc/27/51/13/177275113.db2.gz PAQCSIBLAURDAT-VHSXEESVSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296243394 177275115 /nfs/dbraw/zinc/27/51/15/177275115.db2.gz PAQCSIBLAURDAT-VHSXEESVSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3cnccn23)[C@@H](C)CO1 ZINC000271083407 177301869 /nfs/dbraw/zinc/30/18/69/177301869.db2.gz XTEHZKOXFVUOQL-WDEREUQCSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)[C@@H](C)CO1 ZINC000271083407 177301870 /nfs/dbraw/zinc/30/18/70/177301870.db2.gz XTEHZKOXFVUOQL-WDEREUQCSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@H]1C[C@@H](C(=O)NCCNc2cccc[nH+]2)CO1 ZINC000331309399 177308187 /nfs/dbraw/zinc/30/81/87/177308187.db2.gz UGXIFVVWHUFULE-WDEREUQCSA-N 1 2 249.314 1.035 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276661768 177310147 /nfs/dbraw/zinc/31/01/47/177310147.db2.gz MSPGSNSFJLZZGR-VMDCKITASA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000331905618 177319377 /nfs/dbraw/zinc/31/93/77/177319377.db2.gz ZXZWHOPWYYJAGF-VHSXEESVSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000331905618 177319378 /nfs/dbraw/zinc/31/93/78/177319378.db2.gz ZXZWHOPWYYJAGF-VHSXEESVSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000352616807 177341490 /nfs/dbraw/zinc/34/14/90/177341490.db2.gz WZXTZIHMEKOBMH-VHSXEESVSA-N 1 2 221.304 1.425 20 0 BDADLO C[C@H]1C[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235610239 177345442 /nfs/dbraw/zinc/34/54/42/177345442.db2.gz BTGMHHNQGUPRAH-NTSWFWBYSA-N 1 2 212.684 1.780 20 0 BDADLO C[C@H]1C[C@@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235610239 177345443 /nfs/dbraw/zinc/34/54/43/177345443.db2.gz BTGMHHNQGUPRAH-NTSWFWBYSA-N 1 2 212.684 1.780 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)NCCn1cc[nH+]c1 ZINC000335875321 177360696 /nfs/dbraw/zinc/36/06/96/177360696.db2.gz UDACZBFKXPRQHE-UWVGGRQHSA-N 1 2 222.292 1.075 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857800 177373700 /nfs/dbraw/zinc/37/37/00/177373700.db2.gz YPEIDIIZKFJSDK-XPUUQOCRSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857800 177373703 /nfs/dbraw/zinc/37/37/03/177373703.db2.gz YPEIDIIZKFJSDK-XPUUQOCRSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@H]1C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC000049228286 177382787 /nfs/dbraw/zinc/38/27/87/177382787.db2.gz DDQFRLYIZHMLTO-YUMQZZPRSA-N 1 2 217.276 1.431 20 0 BDADLO COCC[C@H](C)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000674864934 487638479 /nfs/dbraw/zinc/63/84/79/487638479.db2.gz MKKMBXUCGBGUCC-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[C@H](C)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000674864934 487638480 /nfs/dbraw/zinc/63/84/80/487638480.db2.gz MKKMBXUCGBGUCC-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000678044205 487642576 /nfs/dbraw/zinc/64/25/76/487642576.db2.gz NMFIPWUXKHHRJK-DJLDLDEBSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000678044205 487642581 /nfs/dbraw/zinc/64/25/81/487642581.db2.gz NMFIPWUXKHHRJK-DJLDLDEBSA-N 1 2 241.253 1.266 20 0 BDADLO Cc1nc(N(C)Cc2nncn2C)c(C)c(C)[nH+]1 ZINC000488426969 225395791 /nfs/dbraw/zinc/39/57/91/225395791.db2.gz JAYGMDWUWIBJNQ-UHFFFAOYSA-N 1 2 246.318 1.167 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668321336 487647203 /nfs/dbraw/zinc/64/72/03/487647203.db2.gz RAMUBSBURNWAMZ-DDHJBXDOSA-N 1 2 247.342 1.828 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCCC1CC1 ZINC000492800573 226054631 /nfs/dbraw/zinc/05/46/31/226054631.db2.gz ACNMLAIHQQZAOF-ONEGZZNKSA-N 1 2 221.260 1.271 20 0 BDADLO C[C@@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCOC1(C)C ZINC000492810505 226057821 /nfs/dbraw/zinc/05/78/21/226057821.db2.gz IGFWOBSSFJLOHY-LWTINBJPSA-N 1 2 249.314 1.449 20 0 BDADLO Cc1c(NC(=O)C=Cc2c[nH]c[nH+]2)cnn1C ZINC000492815813 226060759 /nfs/dbraw/zinc/06/07/59/226060759.db2.gz YINROLREQKWYRQ-ARJAWSKDSA-N 1 2 231.259 1.104 20 0 BDADLO C[C@]1(CO)CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492865062 226069873 /nfs/dbraw/zinc/06/98/73/226069873.db2.gz OBTMPFGHQYAPAW-WPCUQIPDSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccc[nH]1 ZINC000492900990 226079211 /nfs/dbraw/zinc/07/92/11/226079211.db2.gz OLTCYNADYLXEBQ-ONEGZZNKSA-N 1 2 230.271 1.110 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492906474 226081089 /nfs/dbraw/zinc/08/10/89/226081089.db2.gz AUYQKXQILDKWHQ-HDTYDHQFSA-N 1 2 249.314 1.185 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(O)c1 ZINC000492904648 226081365 /nfs/dbraw/zinc/08/13/65/226081365.db2.gz XIRRHPCUAGGMHV-PLNGDYQASA-N 1 2 243.266 1.445 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1C(F)F ZINC000492918382 226083155 /nfs/dbraw/zinc/08/31/55/226083155.db2.gz FJPZEPPYIUVUMB-CDAZIORVSA-N 1 2 241.241 1.679 20 0 BDADLO CN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000493290746 226176664 /nfs/dbraw/zinc/17/66/64/226176664.db2.gz AARSPLKJPJVZEM-XADBCAIWSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@]1(CO)CCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493320337 226185099 /nfs/dbraw/zinc/18/50/99/226185099.db2.gz LJIBKRCFGBNYSU-FYDKOMJYSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H](CO)CC1 ZINC000493116059 226130554 /nfs/dbraw/zinc/13/05/54/226130554.db2.gz JFAFADCCOQPBHW-UFFNRZRYSA-N 1 2 249.314 1.044 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(F)c1 ZINC000493172391 226145202 /nfs/dbraw/zinc/14/52/02/226145202.db2.gz QKZNVSSTNJJTAA-SNAWJCMRSA-N 1 2 245.257 1.878 20 0 BDADLO C[C@H]1C[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000680805381 487648831 /nfs/dbraw/zinc/64/88/31/487648831.db2.gz CFPUXCXBBRRCRM-IONNQARKSA-N 1 2 218.260 1.517 20 0 BDADLO COC1([C@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493255144 226167797 /nfs/dbraw/zinc/16/77/97/226167797.db2.gz MZFZKJKKNLWXHS-YEZKRMTDSA-N 1 2 249.314 1.497 20 0 BDADLO O=C(/C=C\C1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000493273699 226172246 /nfs/dbraw/zinc/17/22/46/226172246.db2.gz QSIITKMVSSEWFK-WAYWQWQTSA-N 1 2 245.326 1.972 20 0 BDADLO COCC1=CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493386117 226201626 /nfs/dbraw/zinc/20/16/26/226201626.db2.gz NFYSYIKKPQBEOI-NSCUHMNNSA-N 1 2 247.298 1.228 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCCCC1 ZINC000493448528 226219174 /nfs/dbraw/zinc/21/91/74/226219174.db2.gz GLFHLDKVPWKYEM-AATRIKPKSA-N 1 2 219.288 1.826 20 0 BDADLO C[C@@H]1COCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493519575 226238877 /nfs/dbraw/zinc/23/88/77/226238877.db2.gz JIWSUJUXMVGPEL-NTYHVHHESA-N 1 2 249.314 1.212 20 0 BDADLO COCC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493625995 226246802 /nfs/dbraw/zinc/24/68/02/226246802.db2.gz WMDMUGLVUCHVHG-SNAWJCMRSA-N 1 2 237.303 1.212 20 0 BDADLO O=C(/C=C/C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000493646982 226247319 /nfs/dbraw/zinc/24/73/19/226247319.db2.gz QRBXVGHAMXKOIE-ONEGZZNKSA-N 1 2 217.272 1.233 20 0 BDADLO Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493663880 226248192 /nfs/dbraw/zinc/24/81/92/226248192.db2.gz YMYDPXAISYQDKS-AATRIKPKSA-N 1 2 242.282 1.443 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1cccnc1 ZINC000493690302 226249308 /nfs/dbraw/zinc/24/93/08/226249308.db2.gz ROLABGHCWHBQQO-PLNGDYQASA-N 1 2 242.282 1.145 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C2CCCC1CCC2 ZINC000673681928 487650710 /nfs/dbraw/zinc/65/07/10/487650710.db2.gz MVZHANXSYPBISD-UHFFFAOYSA-N 1 2 233.315 1.817 20 0 BDADLO Cc1cc(N2CCCOC[C@@H]2C)nc[nH+]1 ZINC000676492045 487660027 /nfs/dbraw/zinc/66/00/27/487660027.db2.gz IMDCGWVXCZEBJY-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665060540 487660524 /nfs/dbraw/zinc/66/05/24/487660524.db2.gz XCLDVNCEPAALBT-IVZWLZJFSA-N 1 2 221.304 1.438 20 0 BDADLO Cc1nnc(NCc2ccc(N)[nH+]c2)nc1C ZINC000308385153 229232762 /nfs/dbraw/zinc/23/27/62/229232762.db2.gz GOINFRHSSJBRHJ-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC000511647067 229323417 /nfs/dbraw/zinc/32/34/17/229323417.db2.gz OWASNMZHOBMWRG-MGCOHNPYSA-N 1 2 246.314 1.982 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1C2CCC1CC2 ZINC000557670009 322940867 /nfs/dbraw/zinc/94/08/67/322940867.db2.gz QXMBDKPPYQVXFG-UNXYVOJBSA-N 1 2 245.326 1.599 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC(F)(F)C1 ZINC000383913245 487680865 /nfs/dbraw/zinc/68/08/65/487680865.db2.gz YLTOPXFMLUGMDO-ZCFIWIBFSA-N 1 2 244.245 1.667 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC(F)(F)C1 ZINC000383913245 487680871 /nfs/dbraw/zinc/68/08/71/487680871.db2.gz YLTOPXFMLUGMDO-ZCFIWIBFSA-N 1 2 244.245 1.667 20 0 BDADLO OCCNc1[nH+]c2ccccc2n1CC(F)F ZINC000680971286 487685113 /nfs/dbraw/zinc/68/51/13/487685113.db2.gz YPFSIGIQNUMNTK-UHFFFAOYSA-N 1 2 241.241 1.706 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)n(C)n2)[nH]n1 ZINC000669700033 487695480 /nfs/dbraw/zinc/69/54/80/487695480.db2.gz QDQZDHGJZOKVIC-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO CCc1noc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000671704961 487699378 /nfs/dbraw/zinc/69/93/78/487699378.db2.gz APSSRBQKADLJRX-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000671704961 487699384 /nfs/dbraw/zinc/69/93/84/487699384.db2.gz APSSRBQKADLJRX-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO COCCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671709297 487702340 /nfs/dbraw/zinc/70/23/40/487702340.db2.gz ARZGAINXPJXQSG-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671709297 487702344 /nfs/dbraw/zinc/70/23/44/487702344.db2.gz ARZGAINXPJXQSG-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671710229 487701653 /nfs/dbraw/zinc/70/16/53/487701653.db2.gz YXICZUJQYDYHPI-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671710229 487701656 /nfs/dbraw/zinc/70/16/56/487701656.db2.gz YXICZUJQYDYHPI-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC12CCC2 ZINC000675326723 487705563 /nfs/dbraw/zinc/70/55/63/487705563.db2.gz GYOPGJLRPXTIDV-JTQLQIEISA-N 1 2 216.284 1.941 20 0 BDADLO CN(Cc1cscn1)Cc1cn(C)c[nH+]1 ZINC000683898172 487710747 /nfs/dbraw/zinc/71/07/47/487710747.db2.gz MLELXOFRZDZZRA-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CC1(C)C[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665694003 487732166 /nfs/dbraw/zinc/73/21/66/487732166.db2.gz BRNGSYKOFDHUEQ-ZETCQYMHSA-N 1 2 220.276 1.491 20 0 BDADLO CC1(C)C[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665694003 487732169 /nfs/dbraw/zinc/73/21/69/487732169.db2.gz BRNGSYKOFDHUEQ-ZETCQYMHSA-N 1 2 220.276 1.491 20 0 BDADLO c1nc(NC(C2CC2)C2CC2)c2c([nH+]1)NCCO2 ZINC000665690262 487732061 /nfs/dbraw/zinc/73/20/61/487732061.db2.gz YWUHBDAQPPHOKK-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO c1nc2c(c(NC(C3CC3)C3CC3)[nH+]1)OCCN2 ZINC000665690262 487732066 /nfs/dbraw/zinc/73/20/66/487732066.db2.gz YWUHBDAQPPHOKK-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO CC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000675452456 487734084 /nfs/dbraw/zinc/73/40/84/487734084.db2.gz IZIIFOVJUFCKDD-NSHDSACASA-N 1 2 233.315 1.847 20 0 BDADLO CCC[C@H]1C[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665704182 487734983 /nfs/dbraw/zinc/73/49/83/487734983.db2.gz FVSHLEFKQQVBBM-DTWKUNHWSA-N 1 2 234.303 1.881 20 0 BDADLO CCC[C@H]1C[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665704182 487734987 /nfs/dbraw/zinc/73/49/87/487734987.db2.gz FVSHLEFKQQVBBM-DTWKUNHWSA-N 1 2 234.303 1.881 20 0 BDADLO c1nc(N2CC[C@H](C3CC3)C2)c2c([nH+]1)NCCO2 ZINC000665709447 487735618 /nfs/dbraw/zinc/73/56/18/487735618.db2.gz SMVSCGHJIAOCMW-JTQLQIEISA-N 1 2 246.314 1.517 20 0 BDADLO c1nc2c(c(N3CC[C@H](C4CC4)C3)[nH+]1)OCCN2 ZINC000665709447 487735625 /nfs/dbraw/zinc/73/56/25/487735625.db2.gz SMVSCGHJIAOCMW-JTQLQIEISA-N 1 2 246.314 1.517 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665704736 487735921 /nfs/dbraw/zinc/73/59/21/487735921.db2.gz PHMWYERFGQMWLC-DTWKUNHWSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]cnc2c1OCCN2 ZINC000665704736 487735925 /nfs/dbraw/zinc/73/59/25/487735925.db2.gz PHMWYERFGQMWLC-DTWKUNHWSA-N 1 2 234.303 1.516 20 0 BDADLO CN(CCC1CC1)c1nc[nH+]c2c1OCCN2 ZINC000665708218 487736411 /nfs/dbraw/zinc/73/64/11/487736411.db2.gz LODXHCJXVFKEDD-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO CN(CCC1CC1)c1[nH+]cnc2c1OCCN2 ZINC000665708218 487736416 /nfs/dbraw/zinc/73/64/16/487736416.db2.gz LODXHCJXVFKEDD-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO C[C@H]1CCCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665712212 487737246 /nfs/dbraw/zinc/73/72/46/487737246.db2.gz USCHULBQKJBVQE-JTQLQIEISA-N 1 2 248.330 1.907 20 0 BDADLO C[C@H]1CCCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665712212 487737247 /nfs/dbraw/zinc/73/72/47/487737247.db2.gz USCHULBQKJBVQE-JTQLQIEISA-N 1 2 248.330 1.907 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCn2ncnc2C1 ZINC000681168597 487741778 /nfs/dbraw/zinc/74/17/78/487741778.db2.gz QCGTZYPARJKXML-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCn2ncnc2C1 ZINC000681168597 487741785 /nfs/dbraw/zinc/74/17/85/487741785.db2.gz QCGTZYPARJKXML-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO COC(=O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644503 974894088 /nfs/dbraw/zinc/89/40/88/974894088.db2.gz QXYOWJITXLRRKS-UHFFFAOYSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ncsc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000675519153 487744474 /nfs/dbraw/zinc/74/44/74/487744474.db2.gz UTNKSWFXJWSALX-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1ncsc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000675519153 487744480 /nfs/dbraw/zinc/74/44/80/487744480.db2.gz UTNKSWFXJWSALX-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOC(C)C)n1 ZINC000675552889 487748040 /nfs/dbraw/zinc/74/80/40/487748040.db2.gz LJNMEPYGNBBHSE-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1noc(C[N@H+](C)CCOC(C)C)n1 ZINC000675552889 487748047 /nfs/dbraw/zinc/74/80/47/487748047.db2.gz LJNMEPYGNBBHSE-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CCC[C@@H](OC)C2 ZINC000666192546 487753137 /nfs/dbraw/zinc/75/31/37/487753137.db2.gz FMABAWSJYUBHOY-ZWNOBZJWSA-N 1 2 240.347 1.502 20 0 BDADLO Cc1csc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000675646350 487759426 /nfs/dbraw/zinc/75/94/26/487759426.db2.gz BOSMEDGMYWPHNT-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1csc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC000675646350 487759428 /nfs/dbraw/zinc/75/94/28/487759428.db2.gz BOSMEDGMYWPHNT-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CC[C@H](CO)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000295060399 487781681 /nfs/dbraw/zinc/78/16/81/487781681.db2.gz YYYJDIDVWUMQQU-SNVBAGLBSA-N 1 2 221.304 1.561 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)[C@@H]1CCOC1=O ZINC000767905462 585528330 /nfs/dbraw/zinc/52/83/30/585528330.db2.gz OCTJFGKZZCHELZ-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2C[C@H](O)C2)c(C)[nH+]1 ZINC000666315325 487785423 /nfs/dbraw/zinc/78/54/23/487785423.db2.gz XPOGXNJRICYLRX-MGCOHNPYSA-N 1 2 235.287 1.343 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225180 487787972 /nfs/dbraw/zinc/78/79/72/487787972.db2.gz QBHCRHLXJZHGFV-VWYCJHECSA-N 1 2 244.354 1.970 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225180 487787977 /nfs/dbraw/zinc/78/79/77/487787977.db2.gz QBHCRHLXJZHGFV-VWYCJHECSA-N 1 2 244.354 1.970 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCC2(CC2)C1 ZINC000666353292 487792697 /nfs/dbraw/zinc/79/26/97/487792697.db2.gz RIJQKMFYVLLGAG-LBPRGKRZSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666405994 487801183 /nfs/dbraw/zinc/80/11/83/487801183.db2.gz OJBFQYWGZGEICO-GWOFURMSSA-N 1 2 233.315 1.296 20 0 BDADLO CCCS(=O)(=O)CC[N@@H+]1CC=CCC1 ZINC000778965738 585743257 /nfs/dbraw/zinc/74/32/57/585743257.db2.gz FTFIVKSZIKYJHK-UHFFFAOYSA-N 1 2 217.334 1.073 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(C)CC=CC1 ZINC000653475452 487802904 /nfs/dbraw/zinc/80/29/04/487802904.db2.gz AZLLJYWGARVQRX-NSHDSACASA-N 1 2 248.330 1.680 20 0 BDADLO COc1ccc(N[C@H](C)c2ccc(=O)[nH]n2)[nH+]c1 ZINC000671757586 487815139 /nfs/dbraw/zinc/81/51/39/487815139.db2.gz UJIHGPGRIKPPEG-MRVPVSSYSA-N 1 2 246.270 1.759 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000681630511 487826484 /nfs/dbraw/zinc/82/64/84/487826484.db2.gz VHKNUXPYBZLVHK-LLVKDONJSA-N 1 2 207.277 1.021 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000681630511 487826489 /nfs/dbraw/zinc/82/64/89/487826489.db2.gz VHKNUXPYBZLVHK-LLVKDONJSA-N 1 2 207.277 1.021 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000681630274 487826578 /nfs/dbraw/zinc/82/65/78/487826578.db2.gz POBOPKONJTXAMA-CQSZACIVSA-N 1 2 249.358 1.593 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000681630274 487826580 /nfs/dbraw/zinc/82/65/80/487826580.db2.gz POBOPKONJTXAMA-CQSZACIVSA-N 1 2 249.358 1.593 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000829287557 587489981 /nfs/dbraw/zinc/48/99/81/587489981.db2.gz VLQADHRZSOTIRY-UDIQPFLZSA-N 1 2 233.764 1.947 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829287557 587489982 /nfs/dbraw/zinc/48/99/82/587489982.db2.gz VLQADHRZSOTIRY-UDIQPFLZSA-N 1 2 233.764 1.947 20 0 BDADLO CCOC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492967290 528450601 /nfs/dbraw/zinc/45/06/01/528450601.db2.gz YLECHMAJXUZUNF-SNAWJCMRSA-N 1 2 235.287 1.060 20 0 BDADLO CCC[N@H+](C)Cc1nc(CNCC)no1 ZINC000843140818 588086040 /nfs/dbraw/zinc/08/60/40/588086040.db2.gz DZLNMMVUEKFOFO-UHFFFAOYSA-N 1 2 212.297 1.021 20 0 BDADLO CCC[N@@H+](C)Cc1nc(CNCC)no1 ZINC000843140818 588086042 /nfs/dbraw/zinc/08/60/42/588086042.db2.gz DZLNMMVUEKFOFO-UHFFFAOYSA-N 1 2 212.297 1.021 20 0 BDADLO CC1(CC(F)F)C[NH+](CCS(C)(=O)=O)C1 ZINC000843292752 588098034 /nfs/dbraw/zinc/09/80/34/588098034.db2.gz BWQPMJVFOYIION-UHFFFAOYSA-N 1 2 241.303 1.008 20 0 BDADLO Cn1c(Cl)ncc1C[NH2+]CC(C)(F)F ZINC000848552414 588396287 /nfs/dbraw/zinc/39/62/87/588396287.db2.gz AQBZRCPLLJLAOZ-UHFFFAOYSA-N 1 2 223.654 1.818 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493731227 528795489 /nfs/dbraw/zinc/79/54/89/528795489.db2.gz XSHZKHROVHNPGX-FCVPOFOPSA-N 1 2 219.288 1.584 20 0 BDADLO COC1(CC(=O)Nc2ccc(N)[nH+]c2)CCC1 ZINC000234631419 487845543 /nfs/dbraw/zinc/84/55/43/487845543.db2.gz IWVBMTHATJNEPP-UHFFFAOYSA-N 1 2 235.287 1.562 20 0 BDADLO CCN(CC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000573105003 322950395 /nfs/dbraw/zinc/95/03/95/322950395.db2.gz XEELHQNRCJMTFA-NXEZZACHSA-N 1 2 236.319 1.940 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC12CCC2 ZINC000681746292 487851481 /nfs/dbraw/zinc/85/14/81/487851481.db2.gz OVTHEGUCLIPWGW-GHMZBOCLSA-N 1 2 245.326 1.504 20 0 BDADLO CCN(CC(C)C)C(=O)Cn1cc[nH+]c1 ZINC000553830420 322954533 /nfs/dbraw/zinc/95/45/33/322954533.db2.gz ACCWGAJBCGIRIS-UHFFFAOYSA-N 1 2 209.293 1.388 20 0 BDADLO CCN(c1nc(C)[nH+]c2c1CCCC2)[C@@H](C)CO ZINC000558962498 322957149 /nfs/dbraw/zinc/95/71/49/322957149.db2.gz AOHJVRJZDTVEIK-JTQLQIEISA-N 1 2 249.358 1.871 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668194010 487872581 /nfs/dbraw/zinc/87/25/81/487872581.db2.gz WTNXHDAELQROAE-HBNTYKKESA-N 1 2 233.315 1.473 20 0 BDADLO Fc1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000676563608 487874278 /nfs/dbraw/zinc/87/42/78/487874278.db2.gz YCNZNJFWXFPQJU-NSHDSACASA-N 1 2 247.277 1.654 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000668514557 487877583 /nfs/dbraw/zinc/87/75/83/487877583.db2.gz FFTAMKLYJYPKKD-BETUJISGSA-N 1 2 235.331 1.577 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000668514557 487877587 /nfs/dbraw/zinc/87/75/87/487877587.db2.gz FFTAMKLYJYPKKD-BETUJISGSA-N 1 2 235.331 1.577 20 0 BDADLO CC(=O)[C@@H]1C[C@H](C(=O)NCc2c[nH+]c[nH]2)C1(C)C ZINC000682000938 487878113 /nfs/dbraw/zinc/87/81/13/487878113.db2.gz DUOQZFVAESBHNZ-WDEREUQCSA-N 1 2 249.314 1.277 20 0 BDADLO CC(=O)[C@@H]1C[C@H](C(=O)NCc2c[nH]c[nH+]2)C1(C)C ZINC000682000938 487878115 /nfs/dbraw/zinc/87/81/15/487878115.db2.gz DUOQZFVAESBHNZ-WDEREUQCSA-N 1 2 249.314 1.277 20 0 BDADLO Cc1cc(NC(=O)c2ccn(C)n2)c(C)c[nH+]1 ZINC000676623067 487879675 /nfs/dbraw/zinc/87/96/75/487879675.db2.gz LTCNVXRUUNNRJJ-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000670273641 487897885 /nfs/dbraw/zinc/89/78/85/487897885.db2.gz NMJYGUOHJJMHIV-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000670273641 487897889 /nfs/dbraw/zinc/89/78/89/487897889.db2.gz NMJYGUOHJJMHIV-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000670273641 487897894 /nfs/dbraw/zinc/89/78/94/487897894.db2.gz NMJYGUOHJJMHIV-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000670273641 487897900 /nfs/dbraw/zinc/89/79/00/487897900.db2.gz NMJYGUOHJJMHIV-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO Cc1cc(C[N@H+]2CCCOC[C@@H]2C)no1 ZINC000676711391 487899327 /nfs/dbraw/zinc/89/93/27/487899327.db2.gz HJYDPBXUXDNRCA-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCCOC[C@@H]2C)no1 ZINC000676711391 487899333 /nfs/dbraw/zinc/89/93/33/487899333.db2.gz HJYDPBXUXDNRCA-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)n1 ZINC000682220833 487928219 /nfs/dbraw/zinc/92/82/19/487928219.db2.gz NGWYSFCOTVUYKH-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)n1 ZINC000682220833 487928223 /nfs/dbraw/zinc/92/82/23/487928223.db2.gz NGWYSFCOTVUYKH-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO CC1(C)C[C@@H](Nc2nc[nH+]c(N)c2Cl)CO1 ZINC000396457288 487934267 /nfs/dbraw/zinc/93/42/67/487934267.db2.gz BMNWXHSRLQMRFZ-ZCFIWIBFSA-N 1 2 242.710 1.692 20 0 BDADLO CC1(C)C[C@@H](Nc2[nH+]cnc(N)c2Cl)CO1 ZINC000396457288 487934273 /nfs/dbraw/zinc/93/42/73/487934273.db2.gz BMNWXHSRLQMRFZ-ZCFIWIBFSA-N 1 2 242.710 1.692 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC/C=C/CO ZINC000667063058 487935476 /nfs/dbraw/zinc/93/54/76/487935476.db2.gz VYEWEWWSBXSPNR-ONEGZZNKSA-N 1 2 235.287 1.368 20 0 BDADLO CCC[C@H](O)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000682363681 487939026 /nfs/dbraw/zinc/93/90/26/487939026.db2.gz RIRGVCGOIWYOHA-VHSXEESVSA-N 1 2 239.319 1.528 20 0 BDADLO Cc1cc(C)c(NC(=O)N[C@H]2C[C@H](O)C2)c(C)[nH+]1 ZINC000667118218 487940388 /nfs/dbraw/zinc/94/03/88/487940388.db2.gz LXPRVJHBFJFASB-XYPYZODXSA-N 1 2 249.314 1.652 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(F)F ZINC000682373492 487942327 /nfs/dbraw/zinc/94/23/27/487942327.db2.gz RDAPEVVWYOKRBK-HRDYMLBCSA-N 1 2 207.264 1.733 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(F)F ZINC000682373492 487942329 /nfs/dbraw/zinc/94/23/29/487942329.db2.gz RDAPEVVWYOKRBK-HRDYMLBCSA-N 1 2 207.264 1.733 20 0 BDADLO Cc1cc(C)c(CNC(=O)Cn2cc[nH+]c2)cn1 ZINC000652423155 487948804 /nfs/dbraw/zinc/94/88/04/487948804.db2.gz KTQWKXHCPWMALL-UHFFFAOYSA-N 1 2 244.298 1.211 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1csnn1)c1cnn(C)c1 ZINC000398259752 322868073 /nfs/dbraw/zinc/86/80/73/322868073.db2.gz BSKMUQLRPUTDKE-HTQZYQBOSA-N 1 2 237.332 1.683 20 0 BDADLO Cc1[nH]ccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000530932972 322899038 /nfs/dbraw/zinc/89/90/38/322899038.db2.gz ALJQVPRWWXKOKF-UHFFFAOYSA-N 1 2 246.314 1.730 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569579394 322971237 /nfs/dbraw/zinc/97/12/37/322971237.db2.gz KCVNQNKHHPMSKB-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO COc1nccc(CNc2[nH+]cccc2OC)n1 ZINC000560113949 322982885 /nfs/dbraw/zinc/98/28/85/322982885.db2.gz VTKUCABFLUEWHQ-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CC2CCC1CC2 ZINC000560341879 322985961 /nfs/dbraw/zinc/98/59/61/322985961.db2.gz FKDRRJSLHCCOOR-ILDUYXDCSA-N 1 2 246.310 1.974 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC12CC2 ZINC000561127401 322995701 /nfs/dbraw/zinc/99/57/01/322995701.db2.gz BAVGOBIFYMLXQC-SNVBAGLBSA-N 1 2 231.299 1.734 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC(C)(C)C ZINC000561352893 323000276 /nfs/dbraw/zinc/00/02/76/323000276.db2.gz LSLNACRAVCJJHV-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CCC[C@H]([NH2+][C@H](COC)C(C)C)C(=O)OCC ZINC000097988535 323000758 /nfs/dbraw/zinc/00/07/58/323000758.db2.gz XKCDYNNMPYYYKA-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150895567 323001981 /nfs/dbraw/zinc/00/19/81/323001981.db2.gz XMYCJRMXIOBXFL-SECBINFHSA-N 1 2 245.319 1.212 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150895567 323001982 /nfs/dbraw/zinc/00/19/82/323001982.db2.gz XMYCJRMXIOBXFL-SECBINFHSA-N 1 2 245.319 1.212 20 0 BDADLO Cc1n[nH]cc1CNc1ccc(N(C)C)c[nH+]1 ZINC000150898150 323002026 /nfs/dbraw/zinc/00/20/26/323002026.db2.gz RJIVPDAKALMRJD-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO CN(C)c1ccc(NCc2cnn(C)c2)[nH+]c1 ZINC000150895820 323002058 /nfs/dbraw/zinc/00/20/58/323002058.db2.gz IZIBZYMYFVTZDR-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO Cc1nc2n(n1)CCN(c1nc(C)[nH+]cc1C)C2 ZINC000562137514 323012659 /nfs/dbraw/zinc/01/26/59/323012659.db2.gz XZBZINUWFKPKHN-UHFFFAOYSA-N 1 2 244.302 1.014 20 0 BDADLO CCO[C@H]1C[C@H]1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000562287457 323014938 /nfs/dbraw/zinc/01/49/38/323014938.db2.gz AUQSMPMLJHJSCB-MNOVXSKESA-N 1 2 249.314 1.997 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000562516562 323022577 /nfs/dbraw/zinc/02/25/77/323022577.db2.gz HKPGNGVVSOKUSO-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO COC[C@@H](C)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000562670911 323027154 /nfs/dbraw/zinc/02/71/54/323027154.db2.gz YDVCECYTPDERSX-IUCAKERBSA-N 1 2 225.279 1.217 20 0 BDADLO COC[C@@H](C)C[N@H+](CC(F)F)C[C@H](C)O ZINC000562670911 323027155 /nfs/dbraw/zinc/02/71/55/323027155.db2.gz YDVCECYTPDERSX-IUCAKERBSA-N 1 2 225.279 1.217 20 0 BDADLO CCCC[C@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OC ZINC000135243510 323027853 /nfs/dbraw/zinc/02/78/53/323027853.db2.gz JNRFHQGTGCMYKS-AAEUAGOBSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)[nH]1 ZINC000562707344 323028470 /nfs/dbraw/zinc/02/84/70/323028470.db2.gz GQSIOJYGNPQHJD-XPUUQOCRSA-N 1 2 246.261 1.488 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](OC(F)F)C2)[nH]1 ZINC000562707344 323028471 /nfs/dbraw/zinc/02/84/71/323028471.db2.gz GQSIOJYGNPQHJD-XPUUQOCRSA-N 1 2 246.261 1.488 20 0 BDADLO CC[C@]1(C)C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000135684446 323030126 /nfs/dbraw/zinc/03/01/26/323030126.db2.gz LTGVAXLNPJAXED-CYBMUJFWSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@]1(C)C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000135684446 323030127 /nfs/dbraw/zinc/03/01/27/323030127.db2.gz LTGVAXLNPJAXED-CYBMUJFWSA-N 1 2 242.363 1.402 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000562831989 323031974 /nfs/dbraw/zinc/03/19/74/323031974.db2.gz BIIALEYXEHHJOY-QWRGUYRKSA-N 1 2 248.330 1.265 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000569672143 323036401 /nfs/dbraw/zinc/03/64/01/323036401.db2.gz DZSCVLMACIKSQF-YWVKMMECSA-N 1 2 243.314 1.964 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C)c2)[nH]c1C ZINC000569745352 323039762 /nfs/dbraw/zinc/03/97/62/323039762.db2.gz PRWUTKXYGRDCQR-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2cnn(C)c2)[nH+]c1C ZINC000569745352 323039763 /nfs/dbraw/zinc/03/97/63/323039763.db2.gz PRWUTKXYGRDCQR-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000569826136 323041923 /nfs/dbraw/zinc/04/19/23/323041923.db2.gz XEYSYBLOGHJCLF-BBBLOLIVSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000569826136 323041924 /nfs/dbraw/zinc/04/19/24/323041924.db2.gz XEYSYBLOGHJCLF-BBBLOLIVSA-N 1 2 239.294 1.595 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1=CCCCC1 ZINC000570044051 323048257 /nfs/dbraw/zinc/04/82/57/323048257.db2.gz XEGAYQHKJOTQMR-UHFFFAOYSA-N 1 2 248.330 1.720 20 0 BDADLO Cc1cncc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000570055554 323048532 /nfs/dbraw/zinc/04/85/32/323048532.db2.gz AAIJTDYQVRHEMP-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO Cc1cncc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000570055554 323048533 /nfs/dbraw/zinc/04/85/33/323048533.db2.gz AAIJTDYQVRHEMP-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)CC1 ZINC000570103856 323049932 /nfs/dbraw/zinc/04/99/32/323049932.db2.gz DALKLBABSVQFTM-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)CC1 ZINC000570103856 323049933 /nfs/dbraw/zinc/04/99/33/323049933.db2.gz DALKLBABSVQFTM-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(CC(F)F)C1CC1 ZINC000570375031 323057665 /nfs/dbraw/zinc/05/76/65/323057665.db2.gz ROWDLUMQPJSQOC-UHFFFAOYSA-N 1 2 229.230 1.139 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CCCC1 ZINC000570562293 323063129 /nfs/dbraw/zinc/06/31/29/323063129.db2.gz MNYUDZIBGLZWFZ-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CCN(CCCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570637503 323065615 /nfs/dbraw/zinc/06/56/15/323065615.db2.gz VDDZTUJCNOBSIT-NSHDSACASA-N 1 2 239.319 1.065 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000164067278 323077133 /nfs/dbraw/zinc/07/71/33/323077133.db2.gz OTYYHBOILPHXGZ-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO C[C@H]([NH2+]Cc1ncnn1C)c1cccc(O)c1 ZINC000181532430 323078980 /nfs/dbraw/zinc/07/89/80/323078980.db2.gz LDRJUVFXDFLIAU-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000221797854 323096722 /nfs/dbraw/zinc/09/67/22/323096722.db2.gz DOMINLNBDMUOLY-JSGCOSHPSA-N 1 2 239.407 1.543 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCOCC(F)F)n1 ZINC000570981780 323102802 /nfs/dbraw/zinc/10/28/02/323102802.db2.gz WQCAWCODKLMXBU-ZETCQYMHSA-N 1 2 249.261 1.653 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCOCC(F)F)n1 ZINC000570981780 323102803 /nfs/dbraw/zinc/10/28/03/323102803.db2.gz WQCAWCODKLMXBU-ZETCQYMHSA-N 1 2 249.261 1.653 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1cnn(C)c1C ZINC000571006021 323103405 /nfs/dbraw/zinc/10/34/05/323103405.db2.gz HZMPSOMKKUWKKM-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1cnn(C)c1C ZINC000571006021 323103406 /nfs/dbraw/zinc/10/34/06/323103406.db2.gz HZMPSOMKKUWKKM-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO CCc1nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC000563246354 323106604 /nfs/dbraw/zinc/10/66/04/323106604.db2.gz BCGMFTSQPDAHEZ-MRVPVSSYSA-N 1 2 248.290 1.153 20 0 BDADLO CCc1nnc(NC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]1 ZINC000563246354 323106605 /nfs/dbraw/zinc/10/66/05/323106605.db2.gz BCGMFTSQPDAHEZ-MRVPVSSYSA-N 1 2 248.290 1.153 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567995690 323106885 /nfs/dbraw/zinc/10/68/85/323106885.db2.gz SELHGGVHCUCADZ-QWRGUYRKSA-N 1 2 239.319 1.328 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)C[S@@](C)=O ZINC000229015547 323110941 /nfs/dbraw/zinc/11/09/41/323110941.db2.gz GWUXWKNQDQXWTC-VXJOIVPMSA-N 1 2 228.317 1.269 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)oc1C ZINC000531750958 323112503 /nfs/dbraw/zinc/11/25/03/323112503.db2.gz UPIFQDGTZAYERE-SNVBAGLBSA-N 1 2 247.298 1.911 20 0 BDADLO Cn1cnnc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000534098253 323113564 /nfs/dbraw/zinc/11/35/64/323113564.db2.gz IXBWGQQGWPXCIJ-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000534098253 323113565 /nfs/dbraw/zinc/11/35/65/323113565.db2.gz IXBWGQQGWPXCIJ-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO CCCc1nc(C[N@H+](C)CC(C)(C)OC)no1 ZINC000531830546 323115088 /nfs/dbraw/zinc/11/50/88/323115088.db2.gz MXODKNQMXVBJCO-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1nc(C[N@@H+](C)CC(C)(C)OC)no1 ZINC000531830546 323115089 /nfs/dbraw/zinc/11/50/89/323115089.db2.gz MXODKNQMXVBJCO-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)no1 ZINC000534299409 323115788 /nfs/dbraw/zinc/11/57/88/323115788.db2.gz MUZHGJMUUCNUBH-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CCCO2)c(C)c[nH+]1 ZINC000534299315 323115901 /nfs/dbraw/zinc/11/59/01/323115901.db2.gz VLXMUTYYVJHGOK-ZDUSSCGKSA-N 1 2 234.299 1.628 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000534311053 323116177 /nfs/dbraw/zinc/11/61/77/323116177.db2.gz WRKPLBYHELKBMG-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000534311053 323116178 /nfs/dbraw/zinc/11/61/78/323116178.db2.gz WRKPLBYHELKBMG-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO Cc1cc(NC(=O)N(C)CC(F)F)c(C)c[nH+]1 ZINC000534323943 323116432 /nfs/dbraw/zinc/11/64/32/323116432.db2.gz CSRLHFBFFXXPOF-UHFFFAOYSA-N 1 2 243.257 1.849 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000563376491 323120792 /nfs/dbraw/zinc/12/07/92/323120792.db2.gz AQUIDPRXSUJQPW-VIFPVBQESA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000563376491 323120793 /nfs/dbraw/zinc/12/07/93/323120793.db2.gz AQUIDPRXSUJQPW-VIFPVBQESA-N 1 2 244.298 1.930 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CC12CC2 ZINC000563422668 323124280 /nfs/dbraw/zinc/12/42/80/323124280.db2.gz AMXXDDRRHIPCHH-SNVBAGLBSA-N 1 2 203.289 1.727 20 0 BDADLO C[C@@H](NC(=O)C1(CCF)CC1)c1[nH]cc[nH+]1 ZINC000563411777 323124770 /nfs/dbraw/zinc/12/47/70/323124770.db2.gz DBNUHACSWOCDEA-MRVPVSSYSA-N 1 2 225.267 1.727 20 0 BDADLO Cc1cnc(SCc2c[nH+]cn2C)[nH]c1=O ZINC000563440141 323125858 /nfs/dbraw/zinc/12/58/58/323125858.db2.gz OWPJEBDQPXESMW-UHFFFAOYSA-N 1 2 236.300 1.516 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000563560823 323130093 /nfs/dbraw/zinc/13/00/93/323130093.db2.gz OVFCDLVQVGGEJO-JTQLQIEISA-N 1 2 233.315 1.387 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCOC1CCC1)C2 ZINC000563619160 323131703 /nfs/dbraw/zinc/13/17/03/323131703.db2.gz VEGSKAWNHCIETG-UHFFFAOYSA-N 1 2 218.300 1.966 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCOC1CCC1)C2 ZINC000563619160 323131704 /nfs/dbraw/zinc/13/17/04/323131704.db2.gz VEGSKAWNHCIETG-UHFFFAOYSA-N 1 2 218.300 1.966 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000571091722 323135163 /nfs/dbraw/zinc/13/51/63/323135163.db2.gz DHWFCAIWHNDJRT-BBHBSTQDSA-N 1 2 237.303 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000571091722 323135164 /nfs/dbraw/zinc/13/51/64/323135164.db2.gz DHWFCAIWHNDJRT-BBHBSTQDSA-N 1 2 237.303 1.142 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000571521780 323146846 /nfs/dbraw/zinc/14/68/46/323146846.db2.gz MHDHQVORYXVNIO-KXUCPTDWSA-N 1 2 219.288 1.637 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H](F)C1 ZINC000572856102 323149293 /nfs/dbraw/zinc/14/92/93/323149293.db2.gz XZHJJDLJIPJWHV-RNFRBKRXSA-N 1 2 226.255 1.370 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H](F)C1 ZINC000572856102 323149294 /nfs/dbraw/zinc/14/92/94/323149294.db2.gz XZHJJDLJIPJWHV-RNFRBKRXSA-N 1 2 226.255 1.370 20 0 BDADLO CS[C@@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000534514331 323153127 /nfs/dbraw/zinc/15/31/27/323153127.db2.gz CMFMUPOAQNOOCB-VIFPVBQESA-N 1 2 239.344 1.408 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCn3c[nH+]cc3C2)[C@@H]1C1CC1 ZINC000529403304 323175015 /nfs/dbraw/zinc/17/50/15/323175015.db2.gz NLNIGUWGJYTKKH-TVYUQYBPSA-N 1 2 245.326 1.517 20 0 BDADLO Cc1cocc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000529403317 323175161 /nfs/dbraw/zinc/17/51/61/323175161.db2.gz NNSJUVXJBZETJY-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO CC[C@@H](NC(=O)c1cccnn1)c1[nH]cc(C)[nH+]1 ZINC000529511035 323181877 /nfs/dbraw/zinc/18/18/77/323181877.db2.gz FQTMSFUUCBXBAM-SECBINFHSA-N 1 2 245.286 1.389 20 0 BDADLO Cc1cc(NC(=O)NC(C)C)c(C)c[nH+]1 ZINC000535772921 323190823 /nfs/dbraw/zinc/19/08/23/323190823.db2.gz VBUUBVKEXOVJTJ-UHFFFAOYSA-N 1 2 207.277 1.650 20 0 BDADLO CC(C)(C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000076411134 323192368 /nfs/dbraw/zinc/19/23/68/323192368.db2.gz MEIQNKKDIHUHEZ-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000042307680 323245913 /nfs/dbraw/zinc/24/59/13/323245913.db2.gz OPDJPHBHUDQVBZ-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO CCn1ccnc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000532473319 323267372 /nfs/dbraw/zinc/26/73/72/323267372.db2.gz RHGRXXMXHYCVSC-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC(=O)NCCN(C)c1cc[nH+]c2ccncc21 ZINC000571997065 323519694 /nfs/dbraw/zinc/51/96/94/323519694.db2.gz RPCGQZRFNDFTBB-UHFFFAOYSA-N 1 2 244.298 1.202 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC1(O)CCCC1 ZINC000572294181 323595619 /nfs/dbraw/zinc/59/56/19/323595619.db2.gz CAHWNKITLQSLHY-UHFFFAOYSA-N 1 2 235.331 1.835 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cncnc2C)n1 ZINC000527923996 323730475 /nfs/dbraw/zinc/73/04/75/323730475.db2.gz DNSLRBJEPGPMSX-VIFPVBQESA-N 1 2 246.318 1.247 20 0 BDADLO CCOC[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000528187210 323774908 /nfs/dbraw/zinc/77/49/08/323774908.db2.gz MYFVLHXSSQVLPT-LLVKDONJSA-N 1 2 222.288 1.323 20 0 BDADLO C[C@@]1(O)CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000235453660 487961741 /nfs/dbraw/zinc/96/17/41/487961741.db2.gz YZNKHUGBHDSKFG-CYBMUJFWSA-N 1 2 237.274 1.465 20 0 BDADLO C[C@@]1(O)CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000235453660 487961746 /nfs/dbraw/zinc/96/17/46/487961746.db2.gz YZNKHUGBHDSKFG-CYBMUJFWSA-N 1 2 237.274 1.465 20 0 BDADLO CC(C)c1nc(NCC2(CO)COC2)cc[nH+]1 ZINC000120499131 323987156 /nfs/dbraw/zinc/98/71/56/323987156.db2.gz HOYGDUKQLBKFBJ-UHFFFAOYSA-N 1 2 237.303 1.021 20 0 BDADLO COC[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000537669044 324094841 /nfs/dbraw/zinc/09/48/41/324094841.db2.gz DNENXCSUZQMAAO-SNVBAGLBSA-N 1 2 237.303 1.277 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000537760323 324101853 /nfs/dbraw/zinc/10/18/53/324101853.db2.gz WTHHBSWSXFFYQP-ZJUUUORDSA-N 1 2 245.282 1.698 20 0 BDADLO CC(C)c1nc(N2CCC[C@](C)(O)C2)cc[nH+]1 ZINC000162832851 324121007 /nfs/dbraw/zinc/12/10/07/324121007.db2.gz HEEJPUFDHBVFRR-ZDUSSCGKSA-N 1 2 235.331 1.951 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000187637194 324183723 /nfs/dbraw/zinc/18/37/23/324183723.db2.gz UYZAEJPYQVZDFK-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000187637177 324183768 /nfs/dbraw/zinc/18/37/68/324183768.db2.gz UYZAEJPYQVZDFK-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CC[C@@H](NC(=O)c1cccnn1)c1[nH]cc[nH+]1 ZINC000529050273 324238142 /nfs/dbraw/zinc/23/81/42/324238142.db2.gz CSOBIPVLHUCZOJ-MRVPVSSYSA-N 1 2 231.259 1.081 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000529469093 324308056 /nfs/dbraw/zinc/30/80/56/324308056.db2.gz PUFVMMKKNBAVNS-MWLCHTKSSA-N 1 2 245.282 1.607 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000529514314 324320673 /nfs/dbraw/zinc/32/06/73/324320673.db2.gz BNVWZNMAHXXLHT-UWJYBYFXSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000529514314 324320676 /nfs/dbraw/zinc/32/06/76/324320676.db2.gz BNVWZNMAHXXLHT-UWJYBYFXSA-N 1 2 233.315 1.660 20 0 BDADLO COCCOC1C[NH+](Cc2ccnc(C)c2)C1 ZINC000529539838 324330992 /nfs/dbraw/zinc/33/09/92/324330992.db2.gz ADIVLYHNZCNREZ-UHFFFAOYSA-N 1 2 236.315 1.237 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1csnn1 ZINC000529653629 324372230 /nfs/dbraw/zinc/37/22/30/324372230.db2.gz SKKUUOVNGWEEMU-BDAKNGLRSA-N 1 2 213.306 1.195 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(F)(F)CC1 ZINC000529888556 324429964 /nfs/dbraw/zinc/42/99/64/324429964.db2.gz KVFDPTGHWCEQAH-UHFFFAOYSA-N 1 2 243.257 1.518 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c[nH+]1 ZINC000529982469 324445949 /nfs/dbraw/zinc/44/59/49/324445949.db2.gz RNXMMBNZOMTEOO-PJFCORBGSA-N 1 2 237.303 1.260 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](O)[C@H](C)C1 ZINC000127131967 324747508 /nfs/dbraw/zinc/74/75/08/324747508.db2.gz KDHLUSRPUUZMIY-ZJUUUORDSA-N 1 2 222.288 1.297 20 0 BDADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC1 ZINC000539808006 324861600 /nfs/dbraw/zinc/86/16/00/324861600.db2.gz JKBGIWYAJIYRNX-UHFFFAOYSA-N 1 2 228.255 1.113 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)CC[S@](C)=O ZINC000230102517 325003873 /nfs/dbraw/zinc/00/38/73/325003873.db2.gz MXIDIMROGHJSRB-ABKXIKBNSA-N 1 2 242.344 1.659 20 0 BDADLO O=C(/C=C/c1cccc(F)c1)NCc1[nH]cc[nH+]1 ZINC000070989916 325049028 /nfs/dbraw/zinc/04/90/28/325049028.db2.gz JGCPAAZVKBGWOD-SNAWJCMRSA-N 1 2 245.257 1.878 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC1=CCCCC1 ZINC000543411989 325086745 /nfs/dbraw/zinc/08/67/45/325086745.db2.gz RVQKKMRYRPPPBZ-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO CN(C)c1ncc(C[N@H+](C)Cc2ccno2)cn1 ZINC000543734678 325105340 /nfs/dbraw/zinc/10/53/40/325105340.db2.gz TZFXLVRWEAWBHI-UHFFFAOYSA-N 1 2 247.302 1.163 20 0 BDADLO CN(C)c1ncc(C[N@@H+](C)Cc2ccno2)cn1 ZINC000543734678 325105342 /nfs/dbraw/zinc/10/53/42/325105342.db2.gz TZFXLVRWEAWBHI-UHFFFAOYSA-N 1 2 247.302 1.163 20 0 BDADLO CCCCC(=O)NCCc1c[nH+]cn1C ZINC000544364479 325139296 /nfs/dbraw/zinc/13/92/96/325139296.db2.gz CPIHCORDAYVSCK-UHFFFAOYSA-N 1 2 209.293 1.269 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000131577292 325165260 /nfs/dbraw/zinc/16/52/60/325165260.db2.gz YWKJRCBGGVNQTP-WCQYABFASA-N 1 2 235.331 1.826 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)N(CC)CC)CCO1 ZINC000131639498 325172122 /nfs/dbraw/zinc/17/21/22/325172122.db2.gz ALXFZRLCGOBWCM-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)N(CC)CC)CCO1 ZINC000131639498 325172125 /nfs/dbraw/zinc/17/21/25/325172125.db2.gz ALXFZRLCGOBWCM-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H]2C[C@H]2C2CC2)n1 ZINC000546553564 325287210 /nfs/dbraw/zinc/28/72/10/325287210.db2.gz BWJHICVXZHTPJX-QWRGUYRKSA-N 1 2 244.298 1.907 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C)o2)C1 ZINC000075639933 325304844 /nfs/dbraw/zinc/30/48/44/325304844.db2.gz DYOOUDHRVSSSPL-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000075639933 325304847 /nfs/dbraw/zinc/30/48/47/325304847.db2.gz DYOOUDHRVSSSPL-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO COCC(C)(C)[NH2+]CC(=O)OC(C)(C)C ZINC000076493930 325345220 /nfs/dbraw/zinc/34/52/20/325345220.db2.gz OUFRCFYSVDCCER-UHFFFAOYSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1ccc(F)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000134491884 325361033 /nfs/dbraw/zinc/36/10/33/325361033.db2.gz DDAJHFHJKTVJSN-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO O=C(Cc1ccccc1)NCCc1[nH]cc[nH+]1 ZINC000134498123 325361366 /nfs/dbraw/zinc/36/13/66/325361366.db2.gz VQJKAXKWKSJQIQ-UHFFFAOYSA-N 1 2 229.283 1.311 20 0 BDADLO Cc1ncccc1C(=O)NCCc1c[nH+]cn1C ZINC000547483921 325361957 /nfs/dbraw/zinc/36/19/57/325361957.db2.gz PVGMRSYSGLIZNP-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1cccc(N(C)C(=O)Cc2c[nH+]cn2C)c1 ZINC000547542946 325371914 /nfs/dbraw/zinc/37/19/14/325371914.db2.gz ZSIFCCJVIGENCD-UHFFFAOYSA-N 1 2 243.310 1.934 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)Nc1cc[nH+]cc1O ZINC000547665028 325381556 /nfs/dbraw/zinc/38/15/56/325381556.db2.gz XQCXQWBKQUGVQN-SNVBAGLBSA-N 1 2 232.283 1.894 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000547864171 325409935 /nfs/dbraw/zinc/40/99/35/325409935.db2.gz RVFCEZXNJFCDKG-TXEJJXNPSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNc1cccnn1 ZINC000548418463 325454798 /nfs/dbraw/zinc/45/47/98/325454798.db2.gz ZDNSXYBGPNTCHO-UHFFFAOYSA-N 1 2 231.303 1.363 20 0 BDADLO COc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1O ZINC000080587373 325482336 /nfs/dbraw/zinc/48/23/36/325482336.db2.gz VSDXOCLHIQRKKY-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](COC)C(C)C ZINC000083400081 325567073 /nfs/dbraw/zinc/56/70/73/325567073.db2.gz QWBHWINACVRJAH-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO COCCC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227349 325611792 /nfs/dbraw/zinc/61/17/92/325611792.db2.gz YCQBQYIJZPJNJY-SECBINFHSA-N 1 2 239.319 1.650 20 0 BDADLO CCc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]n1 ZINC000552227112 325611813 /nfs/dbraw/zinc/61/18/13/325611813.db2.gz LWGDVRUOXBMJPA-SSDOTTSWSA-N 1 2 233.275 1.186 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682471908 487968990 /nfs/dbraw/zinc/96/89/90/487968990.db2.gz GYRXTGLFFZREFU-VHSXEESVSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1CCC(=O)[C@@H]1C)c1[nH]cc[nH+]1 ZINC000552557259 325653388 /nfs/dbraw/zinc/65/33/88/325653388.db2.gz AKNAILQHSDXGJJ-BBBLOLIVSA-N 1 2 249.314 1.592 20 0 BDADLO Cc1ccncc1N(C)C(=O)Cn1cc[nH+]c1 ZINC000564706644 325804348 /nfs/dbraw/zinc/80/43/48/325804348.db2.gz WUJJNZAPIZYXDV-UHFFFAOYSA-N 1 2 230.271 1.250 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682498246 487970814 /nfs/dbraw/zinc/97/08/14/487970814.db2.gz CXRNHQXIZHWCDF-QWRGUYRKSA-N 1 2 247.342 1.608 20 0 BDADLO CCCc1nnnn1Cc1c[nH+]ccc1C ZINC000566000150 325982375 /nfs/dbraw/zinc/98/23/75/325982375.db2.gz YLOCMPBDOZKSND-UHFFFAOYSA-N 1 2 217.276 1.377 20 0 BDADLO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000566304624 326031478 /nfs/dbraw/zinc/03/14/78/326031478.db2.gz PTNRKYJXQATBAI-KOLCDFICSA-N 1 2 211.309 1.296 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000566327568 326033680 /nfs/dbraw/zinc/03/36/80/326033680.db2.gz FWPHXTZJANHESA-WDEREUQCSA-N 1 2 233.315 1.505 20 0 BDADLO CC[C@@H](O)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566331036 326034531 /nfs/dbraw/zinc/03/45/31/326034531.db2.gz LHBZQUATJQUHDK-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO CSC[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418309 326038917 /nfs/dbraw/zinc/03/89/17/326038917.db2.gz DQIZVCOMXFJPMI-APPZFPTMSA-N 1 2 245.348 1.095 20 0 BDADLO CSC[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418309 326038919 /nfs/dbraw/zinc/03/89/19/326038919.db2.gz DQIZVCOMXFJPMI-APPZFPTMSA-N 1 2 245.348 1.095 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC(CF)C3)ccn12 ZINC000566464201 326051762 /nfs/dbraw/zinc/05/17/62/326051762.db2.gz CNSUSFYLFRIMFZ-UHFFFAOYSA-N 1 2 247.273 1.684 20 0 BDADLO CCCc1[nH+]ccn1CCc1c[nH]nn1 ZINC000566497300 326058531 /nfs/dbraw/zinc/05/85/31/326058531.db2.gz ACOKXIJONSZWIL-UHFFFAOYSA-N 1 2 205.265 1.196 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000566524496 326062129 /nfs/dbraw/zinc/06/21/29/326062129.db2.gz ZLFLDXPPZFKKCE-DTWKUNHWSA-N 1 2 246.314 1.036 20 0 BDADLO CCc1ocnc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566803413 326084564 /nfs/dbraw/zinc/08/45/64/326084564.db2.gz VUTSRAGQOUYEJA-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]1C1CC1 ZINC000572578471 326091775 /nfs/dbraw/zinc/09/17/75/326091775.db2.gz JPTXGXJXEPBBFE-PWSUYJOCSA-N 1 2 248.330 1.466 20 0 BDADLO Cc1c(CN(C)c2cccc[nH+]2)cnn1C ZINC000566895269 326091754 /nfs/dbraw/zinc/09/17/54/326091754.db2.gz IDUSNRGAOAQJIQ-UHFFFAOYSA-N 1 2 216.288 1.760 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCn2ccnc2C1 ZINC000566924927 326094984 /nfs/dbraw/zinc/09/49/84/326094984.db2.gz VAYXNHLQNIZPER-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO Cc1cnc(C)nc1N1CCn2cc[nH+]c2C1 ZINC000566924927 326094986 /nfs/dbraw/zinc/09/49/86/326094986.db2.gz VAYXNHLQNIZPER-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1nc(C)[nH+]cc1C ZINC000566985618 326100157 /nfs/dbraw/zinc/10/01/57/326100157.db2.gz QXVIIIUQJGMBSO-VIFPVBQESA-N 1 2 237.303 1.126 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153650496 326104757 /nfs/dbraw/zinc/10/47/57/326104757.db2.gz RCDPZTGNTOLSRY-IJLUTSLNSA-N 1 2 247.342 1.845 20 0 BDADLO CC(C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000567288344 326156444 /nfs/dbraw/zinc/15/64/44/326156444.db2.gz MVNRIGCUDBOVMW-SECBINFHSA-N 1 2 209.293 1.361 20 0 BDADLO CC(C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000567288344 326156446 /nfs/dbraw/zinc/15/64/46/326156446.db2.gz MVNRIGCUDBOVMW-SECBINFHSA-N 1 2 209.293 1.361 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ncccc1O ZINC000567290650 326156973 /nfs/dbraw/zinc/15/69/73/326156973.db2.gz JMJUIVHWODUVOH-UHFFFAOYSA-N 1 2 230.271 1.228 20 0 BDADLO CC(C)(C)CCC(=O)NCC[NH+]1CCOCC1 ZINC000154714818 326161304 /nfs/dbraw/zinc/16/13/04/326161304.db2.gz GHXAHYWWWXPKFW-UHFFFAOYSA-N 1 2 242.363 1.261 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CO1 ZINC000567355604 326172964 /nfs/dbraw/zinc/17/29/64/326172964.db2.gz IEAKBNRMGYKOSA-OPRDCNLKSA-N 1 2 249.314 1.123 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CO1 ZINC000567355604 326172967 /nfs/dbraw/zinc/17/29/67/326172967.db2.gz IEAKBNRMGYKOSA-OPRDCNLKSA-N 1 2 249.314 1.123 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1ccsc1 ZINC000567412580 326185749 /nfs/dbraw/zinc/18/57/49/326185749.db2.gz YTASYDQMDNRFSQ-UHFFFAOYSA-N 1 2 221.285 1.261 20 0 BDADLO CCC(CC)(CO)C(=O)NCc1[nH]c[nH+]c1C ZINC000567485253 326202680 /nfs/dbraw/zinc/20/26/80/326202680.db2.gz AFEMYRLPIBFWIU-UHFFFAOYSA-N 1 2 239.319 1.133 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@H]2O)c(C)c[nH+]1 ZINC000567577359 326221415 /nfs/dbraw/zinc/22/14/15/326221415.db2.gz LACRCRYIYLLEER-ZYHUDNBSSA-N 1 2 249.314 1.155 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)[C@H](C)O ZINC000567695734 326246966 /nfs/dbraw/zinc/24/69/66/326246966.db2.gz BAZFXSXQYMBTMY-MNOVXSKESA-N 1 2 246.314 1.126 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC1CCC1)C(C)C ZINC000567716552 326250189 /nfs/dbraw/zinc/25/01/89/326250189.db2.gz ZDEFQDBPOGQACY-GFCCVEGCSA-N 1 2 243.347 1.590 20 0 BDADLO C[C@H](CC(=O)N1CC[C@H](C)C1)n1cc[nH+]c1 ZINC000568016524 326296348 /nfs/dbraw/zinc/29/63/48/326296348.db2.gz FRAXARGGSGGLFP-WDEREUQCSA-N 1 2 221.304 1.703 20 0 BDADLO OC1CC(CCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000568160222 326315932 /nfs/dbraw/zinc/31/59/32/326315932.db2.gz ZBJBTPRMKXXCSP-UHFFFAOYSA-N 1 2 233.315 1.349 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCSC ZINC000568228851 326329618 /nfs/dbraw/zinc/32/96/18/326329618.db2.gz MEJFMYMTFSMGMP-UHFFFAOYSA-N 1 2 227.333 1.272 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)CCCO ZINC000568249061 326330587 /nfs/dbraw/zinc/33/05/87/326330587.db2.gz GLKZJLGXSSKFMU-VIFPVBQESA-N 1 2 223.320 1.336 20 0 BDADLO Cc1ccc(O)c(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000568427751 326356751 /nfs/dbraw/zinc/35/67/51/326356751.db2.gz LXDBZQKIJBCRPR-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1ccncc1F ZINC000568659671 326371551 /nfs/dbraw/zinc/37/15/51/326371551.db2.gz HAMZIZGIZDLFHR-ZDUSSCGKSA-N 1 2 249.289 1.075 20 0 BDADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1ccncc1F ZINC000568659671 326371552 /nfs/dbraw/zinc/37/15/52/326371552.db2.gz HAMZIZGIZDLFHR-ZDUSSCGKSA-N 1 2 249.289 1.075 20 0 BDADLO Cn1cc(C[N@@H+]2CCC(=O)CC23CCC3)cn1 ZINC000568880643 326380989 /nfs/dbraw/zinc/38/09/89/326380989.db2.gz QNQDCPDDSJSDNU-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO Cn1cc(C[N@H+]2CCC(=O)CC23CCC3)cn1 ZINC000568880643 326380990 /nfs/dbraw/zinc/38/09/90/326380990.db2.gz QNQDCPDDSJSDNU-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO COCC1([NH2+]Cc2ccn[nH]2)CCCC1 ZINC000568902066 326382359 /nfs/dbraw/zinc/38/23/59/326382359.db2.gz SYWCGYZCYVVEMW-UHFFFAOYSA-N 1 2 209.293 1.459 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC12CC2 ZINC000569113980 326390857 /nfs/dbraw/zinc/39/08/57/326390857.db2.gz ZINPOXGOXRALDA-SECBINFHSA-N 1 2 234.303 1.255 20 0 BDADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cscn1 ZINC000569276635 326398766 /nfs/dbraw/zinc/39/87/66/326398766.db2.gz SSHKBKMRJYZAQF-LLVKDONJSA-N 1 2 244.360 1.361 20 0 BDADLO CN(C)c1ccccc1NC(=O)Cn1cc[nH+]c1 ZINC000569318316 326399781 /nfs/dbraw/zinc/39/97/81/326399781.db2.gz YAHUHJGLXILLGV-UHFFFAOYSA-N 1 2 244.298 1.588 20 0 BDADLO CN1CC[N@H+](Cc2ccc(O)cc2)C(C)(C)C1=O ZINC000679391818 487976595 /nfs/dbraw/zinc/97/65/95/487976595.db2.gz AGSKRDKZPFHOMR-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO CN1CC[N@@H+](Cc2ccc(O)cc2)C(C)(C)C1=O ZINC000679391818 487976601 /nfs/dbraw/zinc/97/66/01/487976601.db2.gz AGSKRDKZPFHOMR-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO O[C@@H]1C[N@@H+](C2CCCC2)CC(F)(F)C1 ZINC000682543954 487982551 /nfs/dbraw/zinc/98/25/51/487982551.db2.gz MFZWCSKBQIDRTA-VIFPVBQESA-N 1 2 205.248 1.631 20 0 BDADLO O[C@@H]1C[N@H+](C2CCCC2)CC(F)(F)C1 ZINC000682543954 487982554 /nfs/dbraw/zinc/98/25/54/487982554.db2.gz MFZWCSKBQIDRTA-VIFPVBQESA-N 1 2 205.248 1.631 20 0 BDADLO C[C@H](O)CNc1cc(N2CC=CCC2)nc[nH+]1 ZINC000665710562 487996843 /nfs/dbraw/zinc/99/68/43/487996843.db2.gz DOGVWAUNKYANJR-JTQLQIEISA-N 1 2 234.303 1.036 20 0 BDADLO C[C@H](O)CNc1cc(N2CC=CCC2)[nH+]cn1 ZINC000665710562 487996850 /nfs/dbraw/zinc/99/68/50/487996850.db2.gz DOGVWAUNKYANJR-JTQLQIEISA-N 1 2 234.303 1.036 20 0 BDADLO CCCN(c1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665710457 487996880 /nfs/dbraw/zinc/99/68/80/487996880.db2.gz BEHFXBGVTZOQEF-UHFFFAOYSA-N 1 2 234.303 1.660 20 0 BDADLO CCCN(c1[nH+]cnc2c1OCCN2)C1CC1 ZINC000665710457 487996886 /nfs/dbraw/zinc/99/68/86/487996886.db2.gz BEHFXBGVTZOQEF-UHFFFAOYSA-N 1 2 234.303 1.660 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCC3(CC3)C2)nc[nH+]1 ZINC000665716949 487997971 /nfs/dbraw/zinc/99/79/71/487997971.db2.gz ZGMQZNHWMOUSPJ-SNVBAGLBSA-N 1 2 248.330 1.260 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCC3(CC3)C2)[nH+]cn1 ZINC000665716949 487997976 /nfs/dbraw/zinc/99/79/76/487997976.db2.gz ZGMQZNHWMOUSPJ-SNVBAGLBSA-N 1 2 248.330 1.260 20 0 BDADLO Cc1ccn([C@@H](C)CC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000668604624 487998276 /nfs/dbraw/zinc/99/82/76/487998276.db2.gz RWQUBPKFYZBOER-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO CCN(C#N)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000602914034 488000696 /nfs/dbraw/zinc/00/06/96/488000696.db2.gz BVDOYNIGEAGXEJ-UHFFFAOYSA-N 1 2 231.299 1.511 20 0 BDADLO CCN(C#N)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000602914034 488000702 /nfs/dbraw/zinc/00/07/02/488000702.db2.gz BVDOYNIGEAGXEJ-UHFFFAOYSA-N 1 2 231.299 1.511 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1cc(NCC2CC2)[nH+]cn1 ZINC000682619214 488002982 /nfs/dbraw/zinc/00/29/82/488002982.db2.gz FFOBZDRGGKEKDE-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1cc(NCC2CC2)nc[nH+]1 ZINC000682619214 488002988 /nfs/dbraw/zinc/00/29/88/488002988.db2.gz FFOBZDRGGKEKDE-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO CCc1cc(N(C)C[C@@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000677239357 488005230 /nfs/dbraw/zinc/00/52/30/488005230.db2.gz FHDRORNSDQOOLJ-JQWIXIFHSA-N 1 2 235.331 1.636 20 0 BDADLO Cc1cccn2cc(CCNC(=O)C(C)C)[nH+]c12 ZINC000108574274 488006877 /nfs/dbraw/zinc/00/68/77/488006877.db2.gz VRELUBZMYJGIIQ-UHFFFAOYSA-N 1 2 245.326 1.957 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)sn1 ZINC000682672788 488009049 /nfs/dbraw/zinc/00/90/49/488009049.db2.gz HZVJZWUHWQLBHK-SNVBAGLBSA-N 1 2 239.344 1.291 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)sn1 ZINC000682672788 488009056 /nfs/dbraw/zinc/00/90/56/488009056.db2.gz HZVJZWUHWQLBHK-SNVBAGLBSA-N 1 2 239.344 1.291 20 0 BDADLO CCOC(=O)CCSCc1cn(C)c[nH+]1 ZINC000603362849 488015574 /nfs/dbraw/zinc/01/55/74/488015574.db2.gz IMPBVWOBOXPAMX-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]2CCCO2)cc[nH+]1 ZINC000074722241 488019878 /nfs/dbraw/zinc/01/98/78/488019878.db2.gz RLMZIDVTBURXAM-NSHDSACASA-N 1 2 220.272 1.898 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000653681929 488025151 /nfs/dbraw/zinc/02/51/51/488025151.db2.gz IHHZZJBXVHGNCP-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000653681929 488025158 /nfs/dbraw/zinc/02/51/58/488025158.db2.gz IHHZZJBXVHGNCP-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO Cc1cccc2[nH]c(C[N@H+](C)CC(N)=O)cc21 ZINC000667496069 488029070 /nfs/dbraw/zinc/02/90/70/488029070.db2.gz GTTBOALCESHBJX-UHFFFAOYSA-N 1 2 231.299 1.393 20 0 BDADLO Cc1cccc2[nH]c(C[N@@H+](C)CC(N)=O)cc21 ZINC000667496069 488029074 /nfs/dbraw/zinc/02/90/74/488029074.db2.gz GTTBOALCESHBJX-UHFFFAOYSA-N 1 2 231.299 1.393 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000668634692 488033695 /nfs/dbraw/zinc/03/36/95/488033695.db2.gz BYIMAZUOKLIMHJ-URLYPYJESA-N 1 2 216.284 1.797 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC(C)(C)O1 ZINC000667554328 488045073 /nfs/dbraw/zinc/04/50/73/488045073.db2.gz QTJIPMSKIBKJRO-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)C[C@@H](C)O1 ZINC000667556650 488045403 /nfs/dbraw/zinc/04/54/03/488045403.db2.gz BXTKJELEOAKKPB-DGCLKSJQSA-N 1 2 249.358 1.829 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668646134 488049573 /nfs/dbraw/zinc/04/95/73/488049573.db2.gz DFXSHAVVHJURSA-UWVGGRQHSA-N 1 2 247.342 1.677 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668646134 488049578 /nfs/dbraw/zinc/04/95/78/488049578.db2.gz DFXSHAVVHJURSA-UWVGGRQHSA-N 1 2 247.342 1.677 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cnn2c1CCC2 ZINC000667618331 488060953 /nfs/dbraw/zinc/06/09/53/488060953.db2.gz UTRZXRRJFOZNJU-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cnn2c1CCC2 ZINC000667618331 488060957 /nfs/dbraw/zinc/06/09/57/488060957.db2.gz UTRZXRRJFOZNJU-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO COCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123438977 488073030 /nfs/dbraw/zinc/07/30/30/488073030.db2.gz ABZSJMVBHLVJCG-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO COCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123438977 488073035 /nfs/dbraw/zinc/07/30/35/488073035.db2.gz ABZSJMVBHLVJCG-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO O=C(CCCF)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667651584 488074382 /nfs/dbraw/zinc/07/43/82/488074382.db2.gz ASZPEEIEFWJCHI-UHFFFAOYSA-N 1 2 239.294 1.865 20 0 BDADLO O=C([C@H](O)C1CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000667653251 488075355 /nfs/dbraw/zinc/07/53/55/488075355.db2.gz WGFUUAMKLZNTIE-GHMZBOCLSA-N 1 2 249.314 1.234 20 0 BDADLO CC1CCN(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000091990426 488079586 /nfs/dbraw/zinc/07/95/86/488079586.db2.gz JUFJHIGRUSUVDF-UHFFFAOYSA-N 1 2 236.319 1.693 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)CCO1 ZINC000249057547 488087415 /nfs/dbraw/zinc/08/74/15/488087415.db2.gz NTJAWMAPPHXIDS-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)CCO1 ZINC000249057547 488087420 /nfs/dbraw/zinc/08/74/20/488087420.db2.gz NTJAWMAPPHXIDS-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CCCn1nccc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000020349978 488088339 /nfs/dbraw/zinc/08/83/39/488088339.db2.gz QCQKLKWTFLHHOO-LLVKDONJSA-N 1 2 247.346 1.877 20 0 BDADLO Cc1ccnc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000683009995 488089684 /nfs/dbraw/zinc/08/96/84/488089684.db2.gz AYKRUSHATVFPLN-LBPRGKRZSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000683009995 488089688 /nfs/dbraw/zinc/08/96/88/488089688.db2.gz AYKRUSHATVFPLN-LBPRGKRZSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1nc(NCC2CCC(O)CC2)cc[nH+]1 ZINC000227708006 488092176 /nfs/dbraw/zinc/09/21/76/488092176.db2.gz VKFRYFQBKUINJB-UHFFFAOYSA-N 1 2 221.304 1.748 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000683019906 488095961 /nfs/dbraw/zinc/09/59/61/488095961.db2.gz XDLHBLZPBHHCQV-MRVPVSSYSA-N 1 2 213.231 1.564 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000683019906 488095966 /nfs/dbraw/zinc/09/59/66/488095966.db2.gz XDLHBLZPBHHCQV-MRVPVSSYSA-N 1 2 213.231 1.564 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@@H]1C(F)(F)F ZINC000677726385 488103422 /nfs/dbraw/zinc/10/34/22/488103422.db2.gz YMZIBYNJTGZERI-MRVPVSSYSA-N 1 2 249.236 1.183 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667763794 488111089 /nfs/dbraw/zinc/11/10/89/488111089.db2.gz JHTCTGDUAPSNNC-GMTAPVOTSA-N 1 2 235.331 1.781 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](F)C1 ZINC000516977121 488112242 /nfs/dbraw/zinc/11/22/42/488112242.db2.gz BCEPPMPDHMACME-VIFPVBQESA-N 1 2 225.267 1.303 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](F)C1 ZINC000516977121 488112247 /nfs/dbraw/zinc/11/22/47/488112247.db2.gz BCEPPMPDHMACME-VIFPVBQESA-N 1 2 225.267 1.303 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000666399997 488113324 /nfs/dbraw/zinc/11/33/24/488113324.db2.gz MWVGOABQHRXVSC-LBPRGKRZSA-N 1 2 225.263 1.563 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000666399997 488113326 /nfs/dbraw/zinc/11/33/26/488113326.db2.gz MWVGOABQHRXVSC-LBPRGKRZSA-N 1 2 225.263 1.563 20 0 BDADLO c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[nH]n1 ZINC000667773046 488116712 /nfs/dbraw/zinc/11/67/12/488116712.db2.gz ARRFAUILTKNJEW-QWRGUYRKSA-N 1 2 207.277 1.067 20 0 BDADLO CC(C)OCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548380 488117887 /nfs/dbraw/zinc/11/78/87/488117887.db2.gz ZOKAUUZSRSMBHO-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548380 488117893 /nfs/dbraw/zinc/11/78/93/488117893.db2.gz ZOKAUUZSRSMBHO-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1nnsc1Cl ZINC000677801695 488124316 /nfs/dbraw/zinc/12/43/16/488124316.db2.gz HNDHOZPPTFXUPF-UHFFFAOYSA-N 1 2 243.723 1.547 20 0 BDADLO CCCCc1noc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000677802286 488125333 /nfs/dbraw/zinc/12/53/33/488125333.db2.gz OVSZGQAGBUZSFO-UHFFFAOYSA-N 1 2 249.318 1.767 20 0 BDADLO O=C([O-])c1cc(NCCCn2cc[nH+]c2)cc[nH+]1 ZINC000037324033 488127478 /nfs/dbraw/zinc/12/74/78/488127478.db2.gz DZONMMGPIKXUGH-UHFFFAOYSA-N 1 2 246.270 1.479 20 0 BDADLO C[C@@H](O)C1([NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000668697112 488127657 /nfs/dbraw/zinc/12/76/57/488127657.db2.gz AKKZARGSLBEBIP-SECBINFHSA-N 1 2 231.299 1.566 20 0 BDADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000677811514 488129322 /nfs/dbraw/zinc/12/93/22/488129322.db2.gz WYUGHHNPOBHCHA-MRVPVSSYSA-N 1 2 234.307 1.502 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000667830703 488133895 /nfs/dbraw/zinc/13/38/95/488133895.db2.gz XSCKIBIGJJYXIF-HBNTYKKESA-N 1 2 233.315 1.392 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+]1CCc2n[nH]nc2C1 ZINC000668791337 487543825 /nfs/dbraw/zinc/54/38/25/487543825.db2.gz IJNPAHVXQBHIAO-SECBINFHSA-N 1 2 248.355 1.856 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+]1CCc2n[nH]nc2C1 ZINC000668791337 487543830 /nfs/dbraw/zinc/54/38/30/487543830.db2.gz IJNPAHVXQBHIAO-SECBINFHSA-N 1 2 248.355 1.856 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC=CC1 ZINC000655222556 487544260 /nfs/dbraw/zinc/54/42/60/487544260.db2.gz DCBHLDXDEMIZIH-NSHDSACASA-N 1 2 245.326 1.670 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)C[C@H](O)C2CC2)no1 ZINC000685566342 487548169 /nfs/dbraw/zinc/54/81/69/487548169.db2.gz ITEUJEDGGXOLFM-XCBNKYQSSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)no1 ZINC000685566342 487548178 /nfs/dbraw/zinc/54/81/78/487548178.db2.gz ITEUJEDGGXOLFM-XCBNKYQSSA-N 1 2 225.292 1.142 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000674302974 487556030 /nfs/dbraw/zinc/55/60/30/487556030.db2.gz RZKMSAHDQDPMRA-DTWKUNHWSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000674302974 487556034 /nfs/dbraw/zinc/55/60/34/487556034.db2.gz RZKMSAHDQDPMRA-DTWKUNHWSA-N 1 2 239.237 1.429 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc2ccccn21 ZINC000679852951 487472845 /nfs/dbraw/zinc/47/28/45/487472845.db2.gz UKGMTAQKIHDMLP-SNVBAGLBSA-N 1 2 234.303 1.196 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000679852951 487472849 /nfs/dbraw/zinc/47/28/49/487472849.db2.gz UKGMTAQKIHDMLP-SNVBAGLBSA-N 1 2 234.303 1.196 20 0 BDADLO Cc1cc(N2CCCC[C@@H]2[C@H](C)CO)nc[nH+]1 ZINC000664266438 487476406 /nfs/dbraw/zinc/47/64/06/487476406.db2.gz HJNFRXRTAFVCRR-ZYHUDNBSSA-N 1 2 235.331 1.772 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)[C@@H](C(N)=O)c1ccccc1 ZINC000673926978 487480686 /nfs/dbraw/zinc/48/06/86/487480686.db2.gz DZUWPBNKEHKSCS-GFCCVEGCSA-N 1 2 244.298 1.068 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)[C@@H](C(N)=O)c1ccccc1 ZINC000673926978 487480689 /nfs/dbraw/zinc/48/06/89/487480689.db2.gz DZUWPBNKEHKSCS-GFCCVEGCSA-N 1 2 244.298 1.068 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1ccco1 ZINC000673936421 487485499 /nfs/dbraw/zinc/48/54/99/487485499.db2.gz YJXZTTJJKMDROF-QMMMGPOBSA-N 1 2 219.244 1.423 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1ccco1 ZINC000673936421 487485502 /nfs/dbraw/zinc/48/55/02/487485502.db2.gz YJXZTTJJKMDROF-QMMMGPOBSA-N 1 2 219.244 1.423 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1ccco1 ZINC000673943986 487488062 /nfs/dbraw/zinc/48/80/62/487488062.db2.gz CKRYIZZWEUEUMX-QMMMGPOBSA-N 1 2 233.271 1.731 20 0 BDADLO CO[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000668759587 487493180 /nfs/dbraw/zinc/49/31/80/487493180.db2.gz ZKCYPZSEHKHUSN-LBPRGKRZSA-N 1 2 249.314 1.082 20 0 BDADLO Cn1cc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)nn1 ZINC000679932886 487495745 /nfs/dbraw/zinc/49/57/45/487495745.db2.gz RWHONBJCEZOPOB-UHFFFAOYSA-N 1 2 248.334 1.126 20 0 BDADLO C[C@H](CC(=O)N(C)c1ccn(C)n1)n1cc[nH+]c1 ZINC000572410304 487500326 /nfs/dbraw/zinc/50/03/26/487500326.db2.gz WFOYVVZSYHCMEG-SNVBAGLBSA-N 1 2 247.302 1.231 20 0 BDADLO Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000093954626 487502817 /nfs/dbraw/zinc/50/28/17/487502817.db2.gz XSFUQFTVMHZBNH-UHFFFAOYSA-N 1 2 245.208 1.394 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccon2)s1 ZINC000086452655 487511359 /nfs/dbraw/zinc/51/13/59/487511359.db2.gz XIWVAMZBXTZCAC-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO O=C(CCC1CCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152881 487512267 /nfs/dbraw/zinc/51/22/67/487512267.db2.gz NUDSIRLDQFYKID-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO CCn1nccc1C[N@@H+]1CCn2cc(C)nc2C1 ZINC000680000552 487513479 /nfs/dbraw/zinc/51/34/79/487513479.db2.gz KTOFTPRAQMTUCB-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CCn1nccc1C[N@H+]1CCn2cc(C)nc2C1 ZINC000680000552 487513482 /nfs/dbraw/zinc/51/34/82/487513482.db2.gz KTOFTPRAQMTUCB-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CC(C)(C)c1nc(NC[C@H](O)C2CC2)cc[nH+]1 ZINC000674065355 487507411 /nfs/dbraw/zinc/50/74/11/487507411.db2.gz FCLDVJPLQQLPAT-JTQLQIEISA-N 1 2 235.331 1.957 20 0 BDADLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000685448127 487525724 /nfs/dbraw/zinc/52/57/24/487525724.db2.gz PEHRIDDCAGQZMB-NSHDSACASA-N 1 2 247.302 1.828 20 0 BDADLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000685448127 487525728 /nfs/dbraw/zinc/52/57/28/487525728.db2.gz PEHRIDDCAGQZMB-NSHDSACASA-N 1 2 247.302 1.828 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H]2COC)s1 ZINC000680060369 487524008 /nfs/dbraw/zinc/52/40/08/487524008.db2.gz SFTDJNRTXQWTRX-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H]2COC)s1 ZINC000680060369 487524013 /nfs/dbraw/zinc/52/40/13/487524013.db2.gz SFTDJNRTXQWTRX-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO Cc1nc(C[N@H+](CCCO)C2CC2)co1 ZINC000404297250 488153489 /nfs/dbraw/zinc/15/34/89/488153489.db2.gz DMLMJPSHWLOTIR-UHFFFAOYSA-N 1 2 210.277 1.330 20 0 BDADLO Cc1nc(C[N@@H+](CCCO)C2CC2)co1 ZINC000404297250 488153495 /nfs/dbraw/zinc/15/34/95/488153495.db2.gz DMLMJPSHWLOTIR-UHFFFAOYSA-N 1 2 210.277 1.330 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(F)cc(OC)c1 ZINC000668789058 487535071 /nfs/dbraw/zinc/53/50/71/487535071.db2.gz ZEDDPJVTOIZJOW-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(F)cc(OC)c1 ZINC000668789058 487535075 /nfs/dbraw/zinc/53/50/75/487535075.db2.gz ZEDDPJVTOIZJOW-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CCn1nccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000526993979 487566981 /nfs/dbraw/zinc/56/69/81/487566981.db2.gz BNYAJSXBLKHTTK-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCn1nccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000526993979 487566986 /nfs/dbraw/zinc/56/69/86/487566986.db2.gz BNYAJSXBLKHTTK-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO Cc1nc(C(=O)Nc2ccc3[nH+]ccn3c2)co1 ZINC000669950923 487957320 /nfs/dbraw/zinc/95/73/20/487957320.db2.gz QPSFREJVBWOXMG-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523706 487988384 /nfs/dbraw/zinc/98/83/84/487988384.db2.gz CUSXFYAKWWECQU-QMMMGPOBSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523706 487988388 /nfs/dbraw/zinc/98/83/88/487988388.db2.gz CUSXFYAKWWECQU-QMMMGPOBSA-N 1 2 221.304 1.429 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667492666 488025723 /nfs/dbraw/zinc/02/57/23/488025723.db2.gz QRJHUAHSMPBFDJ-JTQLQIEISA-N 1 2 221.304 1.050 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667492666 488025726 /nfs/dbraw/zinc/02/57/26/488025726.db2.gz QRJHUAHSMPBFDJ-JTQLQIEISA-N 1 2 221.304 1.050 20 0 BDADLO C[NH+]1CCN(C(=O)C(C)(C)c2ccccn2)CC1 ZINC000670411634 488157988 /nfs/dbraw/zinc/15/79/88/488157988.db2.gz KXAYAKIQOQKNMZ-UHFFFAOYSA-N 1 2 247.342 1.133 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000677959314 488165619 /nfs/dbraw/zinc/16/56/19/488165619.db2.gz MDVYMYCONUYYKR-NXEZZACHSA-N 1 2 234.303 1.112 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551055 488167745 /nfs/dbraw/zinc/16/77/45/488167745.db2.gz SIFHJHRFLBTYNY-MXWKQRLJSA-N 1 2 233.315 1.218 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCc2nccnc2C1 ZINC000668734642 488179765 /nfs/dbraw/zinc/17/97/65/488179765.db2.gz NWYWFVPTOUSHHK-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCc2nccnc2C1 ZINC000668734642 488179769 /nfs/dbraw/zinc/17/97/69/488179769.db2.gz NWYWFVPTOUSHHK-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO c1[nH+]c2n(c1CN1CCO[C@H](C3CC3)C1)CCC2 ZINC000668007077 488183192 /nfs/dbraw/zinc/18/31/92/488183192.db2.gz LNCWJENXSCVBKS-ZDUSSCGKSA-N 1 2 247.342 1.440 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1nccs1 ZINC000683547938 488192234 /nfs/dbraw/zinc/19/22/34/488192234.db2.gz JKLVOZMZWSCIII-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1nccs1 ZINC000683548345 488192879 /nfs/dbraw/zinc/19/28/79/488192879.db2.gz ZCDUYRHBDXPUOP-UHFFFAOYSA-N 1 2 219.269 1.521 20 0 BDADLO Cc1cc(NC(=O)NC[C@H](C)C2CC2)cc[nH+]1 ZINC000678095251 488196829 /nfs/dbraw/zinc/19/68/29/488196829.db2.gz AZDVQCRXNPPQPL-VIFPVBQESA-N 1 2 233.315 1.980 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1nccs1 ZINC000683565753 488197652 /nfs/dbraw/zinc/19/76/52/488197652.db2.gz YGZREERXPCGLDK-UHFFFAOYSA-N 1 2 235.268 1.799 20 0 BDADLO C[NH+](C)Cc1nc(COCC(F)(F)F)no1 ZINC000683579914 488200797 /nfs/dbraw/zinc/20/07/97/488200797.db2.gz MTUWMAKAEDHVEG-UHFFFAOYSA-N 1 2 239.197 1.210 20 0 BDADLO C([NH2+][C@H]1CO[C@H](C2CC2)C1)c1noc(C2CC2)n1 ZINC000668096759 488202254 /nfs/dbraw/zinc/20/22/54/488202254.db2.gz PUFNBEUDRFWUJJ-MNOVXSKESA-N 1 2 249.314 1.604 20 0 BDADLO c1c(C[NH+]2CC(C3CC3)C2)nnn1C1CCC1 ZINC000668183096 488215787 /nfs/dbraw/zinc/21/57/87/488215787.db2.gz WLQLPCISAOPEHA-UHFFFAOYSA-N 1 2 232.331 1.845 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](OC)C1 ZINC000668746632 488218481 /nfs/dbraw/zinc/21/84/81/488218481.db2.gz RUYHKZRAFDUSGW-NEPJUHHUSA-N 1 2 248.326 1.820 20 0 BDADLO CCOc1cccc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC000678266624 488230407 /nfs/dbraw/zinc/23/04/07/488230407.db2.gz SSMWCZQOJIFYFI-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CCOc1cccc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000678266624 488230408 /nfs/dbraw/zinc/23/04/08/488230408.db2.gz SSMWCZQOJIFYFI-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO Cn1ccc(C[N@H+](C)CCOC(C)(C)C)n1 ZINC000678283569 488236922 /nfs/dbraw/zinc/23/69/22/488236922.db2.gz FTMOEXROSIVKKM-UHFFFAOYSA-N 1 2 225.336 1.667 20 0 BDADLO Cn1ccc(C[N@@H+](C)CCOC(C)(C)C)n1 ZINC000678283569 488236926 /nfs/dbraw/zinc/23/69/26/488236926.db2.gz FTMOEXROSIVKKM-UHFFFAOYSA-N 1 2 225.336 1.667 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccnc1 ZINC000672148167 488240947 /nfs/dbraw/zinc/24/09/47/488240947.db2.gz GJRDENFOKHNHJG-NSHDSACASA-N 1 2 242.282 1.023 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC12CCC2 ZINC000672157511 488242637 /nfs/dbraw/zinc/24/26/37/488242637.db2.gz DKUDZMNWIDRKGN-PWSUYJOCSA-N 1 2 245.326 1.504 20 0 BDADLO CC(C)(C(=O)Nc1nncs1)c1c[nH+]c[nH]1 ZINC000683917356 488244172 /nfs/dbraw/zinc/24/41/72/488244172.db2.gz WYIFEWDILUCFNO-UHFFFAOYSA-N 1 2 237.288 1.178 20 0 BDADLO CC(C)(C(=O)Nc1nncs1)c1c[nH]c[nH+]1 ZINC000683917356 488244173 /nfs/dbraw/zinc/24/41/73/488244173.db2.gz WYIFEWDILUCFNO-UHFFFAOYSA-N 1 2 237.288 1.178 20 0 BDADLO Cc1noc2ncnc(-n3cc[nH+]c3)c12 ZINC000195506309 488244425 /nfs/dbraw/zinc/24/44/25/488244425.db2.gz DYXABRVWEJNNNA-UHFFFAOYSA-N 1 2 201.189 1.112 20 0 BDADLO CC(C)c1nc(N2CC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000683939174 488248417 /nfs/dbraw/zinc/24/84/17/488248417.db2.gz IPGJVQRTFPCSTA-UHFFFAOYSA-N 1 2 249.362 1.907 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2CC(C)(C)C2)[nH+]1 ZINC000683939174 488248419 /nfs/dbraw/zinc/24/84/19/488248419.db2.gz IPGJVQRTFPCSTA-UHFFFAOYSA-N 1 2 249.362 1.907 20 0 BDADLO Cc1cc(N[C@@H](c2nncn2C)C(C)C)nc[nH+]1 ZINC000672322080 488251135 /nfs/dbraw/zinc/25/11/35/488251135.db2.gz WDSTUWGHNVMIDY-LLVKDONJSA-N 1 2 246.318 1.723 20 0 BDADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000672543954 488258805 /nfs/dbraw/zinc/25/88/05/488258805.db2.gz DQMQCKUKPFMWMH-GHMZBOCLSA-N 1 2 238.335 1.377 20 0 BDADLO CCO[C@@H]1CCC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000672543954 488258808 /nfs/dbraw/zinc/25/88/08/488258808.db2.gz DQMQCKUKPFMWMH-GHMZBOCLSA-N 1 2 238.335 1.377 20 0 BDADLO Cn1cnnc1C[N@H+](C)CCCOC(C)(C)C ZINC000672574904 488260153 /nfs/dbraw/zinc/26/01/53/488260153.db2.gz UOJGFUXFDDUGAP-UHFFFAOYSA-N 1 2 240.351 1.452 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CCCOC(C)(C)C ZINC000672574904 488260157 /nfs/dbraw/zinc/26/01/57/488260157.db2.gz UOJGFUXFDDUGAP-UHFFFAOYSA-N 1 2 240.351 1.452 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000672712755 488264553 /nfs/dbraw/zinc/26/45/53/488264553.db2.gz QZKZSUYFGBYLBJ-PWSUYJOCSA-N 1 2 231.299 1.828 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC(F)(F)C1 ZINC000673008559 488271602 /nfs/dbraw/zinc/27/16/02/488271602.db2.gz FYUIPAJACVKUDP-QMMMGPOBSA-N 1 2 243.257 1.267 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC=CCC1 ZINC000673057866 488272694 /nfs/dbraw/zinc/27/26/94/488272694.db2.gz JEHOVGBDRLXMMX-UHFFFAOYSA-N 1 2 205.261 1.131 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1F ZINC000673057376 488272703 /nfs/dbraw/zinc/27/27/03/488272703.db2.gz QQKPQTRMYBTCFN-MWLCHTKSSA-N 1 2 239.294 1.169 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1C[C@H]1C)CC2 ZINC000673079582 488274580 /nfs/dbraw/zinc/27/45/80/488274580.db2.gz XDYHXBRGERRCQI-PSASIEDQSA-N 1 2 234.303 1.125 20 0 BDADLO CC[N@H+](CC(F)F)C[C@H]1CNc2ccnn2C1 ZINC000684196675 488275018 /nfs/dbraw/zinc/27/50/18/488275018.db2.gz BGOBJWCKMZPVLE-SECBINFHSA-N 1 2 244.289 1.512 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@H]1CNc2ccnn2C1 ZINC000684196675 488275019 /nfs/dbraw/zinc/27/50/19/488275019.db2.gz BGOBJWCKMZPVLE-SECBINFHSA-N 1 2 244.289 1.512 20 0 BDADLO COCC1(C)CC[NH+](CC(F)F)CC1 ZINC000678636093 488275404 /nfs/dbraw/zinc/27/54/04/488275404.db2.gz ZDWBKSDBAHCKOG-UHFFFAOYSA-N 1 2 207.264 2.000 20 0 BDADLO O=c1[nH]nc(C[NH+]2C3CCCC2CCC3)[nH]1 ZINC000678716092 488277786 /nfs/dbraw/zinc/27/77/86/488277786.db2.gz OMISKFLDWIOISR-UHFFFAOYSA-N 1 2 222.292 1.417 20 0 BDADLO Cc1cc(NC(=O)N2CC(C)(F)C2)cc[nH+]1 ZINC000684234054 488280509 /nfs/dbraw/zinc/28/05/09/488280509.db2.gz WNDWYPVJASQEAT-UHFFFAOYSA-N 1 2 223.251 1.388 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1nccn1C ZINC000678774545 488282274 /nfs/dbraw/zinc/28/22/74/488282274.db2.gz LGDVAYAWYOSMGL-GFCCVEGCSA-N 1 2 245.330 1.759 20 0 BDADLO COc1ncccc1CNc1cc[nH+]cc1F ZINC000678789018 488283351 /nfs/dbraw/zinc/28/33/51/488283351.db2.gz SCHWYOSAFSBBFB-UHFFFAOYSA-N 1 2 233.246 1.658 20 0 BDADLO Cc1occc1CNC(=O)CCc1c[nH+]cn1C ZINC000684404390 488306903 /nfs/dbraw/zinc/30/69/03/488306903.db2.gz IARVDRAENZGQMD-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO FC1(F)CC[NH+](Cc2cocn2)CC1 ZINC000684429317 488312007 /nfs/dbraw/zinc/31/20/07/488312007.db2.gz SMAHTFQJPTUGSI-UHFFFAOYSA-N 1 2 202.204 1.906 20 0 BDADLO CC(C)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684467743 488317390 /nfs/dbraw/zinc/31/73/90/488317390.db2.gz PUTTYQYTGKJHIQ-UHFFFAOYSA-N 1 2 221.304 1.457 20 0 BDADLO CC(C)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684467743 488317393 /nfs/dbraw/zinc/31/73/93/488317393.db2.gz PUTTYQYTGKJHIQ-UHFFFAOYSA-N 1 2 221.304 1.457 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679219469 488317630 /nfs/dbraw/zinc/31/76/30/488317630.db2.gz CTMYEXAXKQUKAF-MNOVXSKESA-N 1 2 230.327 1.583 20 0 BDADLO CCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679219469 488317632 /nfs/dbraw/zinc/31/76/32/488317632.db2.gz CTMYEXAXKQUKAF-MNOVXSKESA-N 1 2 230.327 1.583 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C[C@H]1F ZINC000679220663 488319135 /nfs/dbraw/zinc/31/91/35/488319135.db2.gz IQXLRVUGOZODDW-ZYHUDNBSSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C[C@H]1F ZINC000679220663 488319139 /nfs/dbraw/zinc/31/91/39/488319139.db2.gz IQXLRVUGOZODDW-ZYHUDNBSSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1F ZINC000679222373 488319718 /nfs/dbraw/zinc/31/97/18/488319718.db2.gz MIYUXWSDMSZZRQ-CMPLNLGQSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1F ZINC000679222373 488319719 /nfs/dbraw/zinc/31/97/19/488319719.db2.gz MIYUXWSDMSZZRQ-CMPLNLGQSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@@H]1F ZINC000679225890 488321650 /nfs/dbraw/zinc/32/16/50/488321650.db2.gz YTBYHQZMAFDFGS-PWSUYJOCSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@@H]1F ZINC000679225890 488321652 /nfs/dbraw/zinc/32/16/52/488321652.db2.gz YTBYHQZMAFDFGS-PWSUYJOCSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H]1C[C@H](C)N1c1cc(-n2cc[nH+]c2)ncn1 ZINC000684592100 488329657 /nfs/dbraw/zinc/32/96/57/488329657.db2.gz FOQJXINFDDQFOT-UWVGGRQHSA-N 1 2 229.287 1.649 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccnc(C)n2)cn1 ZINC000684617922 488332653 /nfs/dbraw/zinc/33/26/53/488332653.db2.gz OVURVZYRFWZKLW-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccnc(C)n2)cn1 ZINC000684617922 488332655 /nfs/dbraw/zinc/33/26/55/488332655.db2.gz OVURVZYRFWZKLW-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC=CCC1 ZINC000679326353 488339074 /nfs/dbraw/zinc/33/90/74/488339074.db2.gz XWANJHJFRUHUFQ-UHFFFAOYSA-N 1 2 227.267 1.736 20 0 BDADLO O=C(NCCF)Nc1ccc2[nH+]ccn2c1 ZINC000684776639 488341432 /nfs/dbraw/zinc/34/14/32/488341432.db2.gz HWYOMNBMWKWPPP-UHFFFAOYSA-N 1 2 222.223 1.425 20 0 BDADLO Cc1cccc(S(=O)(=O)Nc2c[nH+]c[nH]2)c1 ZINC000684837050 488347995 /nfs/dbraw/zinc/34/79/95/488347995.db2.gz QQDKWBRNKILUJX-UHFFFAOYSA-N 1 2 237.284 1.519 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncc(F)cn1)CC2 ZINC000679845688 488368421 /nfs/dbraw/zinc/36/84/21/488368421.db2.gz FBURLLGSFLWSHZ-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1cccnn1)CC2 ZINC000679845660 488368497 /nfs/dbraw/zinc/36/84/97/488368497.db2.gz BVIOIHJTZOKCBQ-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000120401621 490061176 /nfs/dbraw/zinc/06/11/76/490061176.db2.gz DYXJNIILHZHIRD-NSHDSACASA-N 1 2 207.277 1.087 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cncnc1 ZINC000120401621 490061178 /nfs/dbraw/zinc/06/11/78/490061178.db2.gz DYXJNIILHZHIRD-NSHDSACASA-N 1 2 207.277 1.087 20 0 BDADLO COCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000192679712 490100576 /nfs/dbraw/zinc/10/05/76/490100576.db2.gz YGCTYABKXJNUDZ-MRVPVSSYSA-N 1 2 227.308 1.664 20 0 BDADLO Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000121792059 490109183 /nfs/dbraw/zinc/10/91/83/490109183.db2.gz HGSDXQLNUSKZQX-UHFFFAOYSA-N 1 2 231.259 1.435 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCCS1 ZINC000122099186 490125409 /nfs/dbraw/zinc/12/54/09/490125409.db2.gz CIKRZUIBQKMFQO-QMMMGPOBSA-N 1 2 249.343 1.671 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC1 ZINC000668415935 490156428 /nfs/dbraw/zinc/15/64/28/490156428.db2.gz MGBANXVWXFKVPK-NXEZZACHSA-N 1 2 219.288 1.192 20 0 BDADLO CC[C@H](C)N(CC(=O)OC)Cc1cn(C)c[nH+]1 ZINC000595472055 490160283 /nfs/dbraw/zinc/16/02/83/490160283.db2.gz FDCWJEROMXBTKM-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO Cc1ccc2[nH+]c(CNCc3ccon3)cn2c1 ZINC000671190853 490172825 /nfs/dbraw/zinc/17/28/25/490172825.db2.gz PMACTSMVMZVCEF-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)no1 ZINC000661699476 490178202 /nfs/dbraw/zinc/17/82/02/490178202.db2.gz IBEQEWVOQCQOCS-SKDRFNHKSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)no1 ZINC000661699476 490178208 /nfs/dbraw/zinc/17/82/08/490178208.db2.gz IBEQEWVOQCQOCS-SKDRFNHKSA-N 1 2 237.303 1.100 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC(F)(F)C1 ZINC000684462464 490226722 /nfs/dbraw/zinc/22/67/22/490226722.db2.gz ZZNLARDRRXVKNB-MRVPVSSYSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC(F)(F)C1 ZINC000684462464 490226733 /nfs/dbraw/zinc/22/67/33/490226733.db2.gz ZZNLARDRRXVKNB-MRVPVSSYSA-N 1 2 243.257 1.646 20 0 BDADLO Cc1ncsc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657570779 490285523 /nfs/dbraw/zinc/28/55/23/490285523.db2.gz TWXNNHSADCAMPO-CBAPKCEASA-N 1 2 249.343 1.839 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657570762 490285972 /nfs/dbraw/zinc/28/59/72/490285972.db2.gz SYSJZLWIZMQHNB-NXEZZACHSA-N 1 2 232.287 1.975 20 0 BDADLO c1ccc(N2CCC3(CC2)OCCO3)[nH+]c1 ZINC000076925974 490326186 /nfs/dbraw/zinc/32/61/86/490326186.db2.gz BHXLTSKZGBZCMO-UHFFFAOYSA-N 1 2 220.272 1.425 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCCC1 ZINC000092616877 490359143 /nfs/dbraw/zinc/35/91/43/490359143.db2.gz CBRCZLWHSZOUEA-UHFFFAOYSA-N 1 2 224.308 1.253 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCCC1 ZINC000092616877 490359148 /nfs/dbraw/zinc/35/91/48/490359148.db2.gz CBRCZLWHSZOUEA-UHFFFAOYSA-N 1 2 224.308 1.253 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000079769625 490463859 /nfs/dbraw/zinc/46/38/59/490463859.db2.gz YPRXZHLPZBBADK-JTQLQIEISA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000079769625 490463851 /nfs/dbraw/zinc/46/38/51/490463851.db2.gz YPRXZHLPZBBADK-JTQLQIEISA-N 1 2 239.319 1.396 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@H](O)C1CC1 ZINC000305740197 490489299 /nfs/dbraw/zinc/48/92/99/490489299.db2.gz RIHCXOYSOWACQD-LBPRGKRZSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(NC(=O)c2cnn(C)c2)cc[nH+]1 ZINC000074716982 490499482 /nfs/dbraw/zinc/49/94/82/490499482.db2.gz FACNIHBYUBDORF-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO C[C@](CO)([NH2+]Cc1csnn1)c1ccccc1 ZINC000128586844 490582332 /nfs/dbraw/zinc/58/23/32/490582332.db2.gz HKAIYYZDKXLCBJ-GFCCVEGCSA-N 1 2 249.339 1.535 20 0 BDADLO CCc1cc(N(C)C[C@@H](O)C2CC2)nc[nH+]1 ZINC000080233670 490627413 /nfs/dbraw/zinc/62/74/13/490627413.db2.gz GBVNTANIVMTEKY-LLVKDONJSA-N 1 2 221.304 1.246 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000650960961 490678641 /nfs/dbraw/zinc/67/86/41/490678641.db2.gz WJVRAAMNRSGDRI-UTUOFQBUSA-N 1 2 247.342 1.608 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1CCCC1 ZINC000650990865 490681005 /nfs/dbraw/zinc/68/10/05/490681005.db2.gz XTZORKWGPQHBMT-UHFFFAOYSA-N 1 2 247.342 1.821 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(C)o1 ZINC000659830098 491078826 /nfs/dbraw/zinc/07/88/26/491078826.db2.gz DCWDMUXPORBJSQ-NSHDSACASA-N 1 2 237.303 1.131 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2C(N)=O)c(C)o1 ZINC000659830098 491078829 /nfs/dbraw/zinc/07/88/29/491078829.db2.gz DCWDMUXPORBJSQ-NSHDSACASA-N 1 2 237.303 1.131 20 0 BDADLO CN(Cc1nc(C(F)F)no1)Cc1[nH]cc[nH+]1 ZINC000660142088 491087040 /nfs/dbraw/zinc/08/70/40/491087040.db2.gz NBXQYBSMGTXDAV-UHFFFAOYSA-N 1 2 243.217 1.362 20 0 BDADLO Cc1ccsc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000078288565 491115555 /nfs/dbraw/zinc/11/55/55/491115555.db2.gz IYBFAEUWYWYFBJ-UHFFFAOYSA-N 1 2 249.339 1.912 20 0 BDADLO Cc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1F ZINC000335108680 491122231 /nfs/dbraw/zinc/12/22/31/491122231.db2.gz HJVLZHWCPLMPMK-UHFFFAOYSA-N 1 2 246.289 1.783 20 0 BDADLO Cc1ccsc1CNC(=O)Cn1cc[nH+]c1 ZINC000076830193 491125611 /nfs/dbraw/zinc/12/56/11/491125611.db2.gz CCPQQBQVILFRIN-UHFFFAOYSA-N 1 2 235.312 1.569 20 0 BDADLO CCc1cc(N2CC(=O)N(C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000283338144 491127332 /nfs/dbraw/zinc/12/73/32/491127332.db2.gz AUUPDBPMFZETKD-VIFPVBQESA-N 1 2 248.330 1.014 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCn1cccc1 ZINC000081257860 491134123 /nfs/dbraw/zinc/13/41/23/491134123.db2.gz DLEKVHCCORVXEW-GFCCVEGCSA-N 1 2 246.314 1.280 20 0 BDADLO CCOCc1nc([C@@H](C)[NH2+]C2CSC2)no1 ZINC000309960422 491158414 /nfs/dbraw/zinc/15/84/14/491158414.db2.gz KUGBHSUQHQJRJP-SSDOTTSWSA-N 1 2 243.332 1.372 20 0 BDADLO COC[C@@H](Nc1[nH+]cccc1OC)C1CC1 ZINC000309963351 491158433 /nfs/dbraw/zinc/15/84/33/491158433.db2.gz MIGITIJNSITOLL-SNVBAGLBSA-N 1 2 222.288 1.927 20 0 BDADLO CSC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493367385 533771553 /nfs/dbraw/zinc/77/15/53/533771553.db2.gz KALUEHOQTSONAK-VEMNSZJBSA-N 1 2 225.317 1.291 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC/C=C/Cl ZINC000891207173 582632125 /nfs/dbraw/zinc/63/21/25/582632125.db2.gz CASJOXUTIBTUIS-HNQUOIGGSA-N 1 2 213.668 1.142 20 0 BDADLO C[C@H]1CN=C(NC(=O)/C=C/c2[nH]cc[nH+]2)S1 ZINC000493715984 534004023 /nfs/dbraw/zinc/00/40/23/534004023.db2.gz BMJSPMZGLBFYGW-AIYRYJHASA-N 1 2 236.300 1.030 20 0 BDADLO C[C@H](O)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493845321 534048270 /nfs/dbraw/zinc/04/82/70/534048270.db2.gz CUXOBGMXLWSXCW-ZMWSMAPVSA-N 1 2 249.314 1.042 20 0 BDADLO CC(=O)NCCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000891705427 582711371 /nfs/dbraw/zinc/71/13/71/582711371.db2.gz DSEGRVUVKYXWPZ-SECBINFHSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812879 534185297 /nfs/dbraw/zinc/18/52/97/534185297.db2.gz NTOXTUVJRRSFLJ-VZLFWVQESA-N 1 2 235.287 1.107 20 0 BDADLO Cc1ccc(O)c(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493229573 534198794 /nfs/dbraw/zinc/19/87/94/534198794.db2.gz ZIQNTUILVKGVKD-HYXAFXHYSA-N 1 2 244.254 1.471 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000308946956 534231460 /nfs/dbraw/zinc/23/14/60/534231460.db2.gz NZTORQZRKANQJZ-KXUCPTDWSA-N 1 2 231.361 1.668 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)[C@H](C)O1 ZINC000492809538 534274653 /nfs/dbraw/zinc/27/46/53/534274653.db2.gz GDQOYKLHEGDFGR-ONMMUWTQSA-N 1 2 249.314 1.447 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H]1C ZINC000493273423 534275590 /nfs/dbraw/zinc/27/55/90/534275590.db2.gz XXAHQEHPGRPHOP-BKIAHZASSA-N 1 2 205.261 1.290 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1C ZINC000493714140 534277498 /nfs/dbraw/zinc/27/74/98/534277498.db2.gz ARMKTJGPMBBLCG-UREXNXCXSA-N 1 2 205.261 1.290 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000492870606 534277557 /nfs/dbraw/zinc/27/75/57/534277557.db2.gz WFDNXKVKFYKEMH-BZDJSAGESA-N 1 2 235.287 1.059 20 0 BDADLO CCc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000285800335 536126323 /nfs/dbraw/zinc/12/63/23/536126323.db2.gz YDPMSTMGDWYHJD-PHIMTYICSA-N 1 2 235.331 1.961 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178831124 536142450 /nfs/dbraw/zinc/14/24/50/536142450.db2.gz IHJRFOVNHRKMGF-QWRGUYRKSA-N 1 2 235.331 1.702 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493482722 534299831 /nfs/dbraw/zinc/29/98/31/534299831.db2.gz JKXULBWPGJKCOG-VUHVRTRXSA-N 1 2 219.288 1.680 20 0 BDADLO CC[C@@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000049370957 517757647 /nfs/dbraw/zinc/75/76/47/517757647.db2.gz CERQSHSZNQDKNW-SNVBAGLBSA-N 1 2 224.308 1.323 20 0 BDADLO COC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000181503859 517988923 /nfs/dbraw/zinc/98/89/23/517988923.db2.gz XZPCGVCXUJBYSJ-LLVKDONJSA-N 1 2 229.320 1.080 20 0 BDADLO CC(=O)NCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000266382818 534359947 /nfs/dbraw/zinc/35/99/47/534359947.db2.gz NDLQZFSBMFXVKB-UHFFFAOYSA-N 1 2 248.330 1.138 20 0 BDADLO Cc1noc(C)c1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493363041 534364616 /nfs/dbraw/zinc/36/46/16/534364616.db2.gz YDIGSBRZVRKCKW-ONEGZZNKSA-N 1 2 246.270 1.344 20 0 BDADLO CC(=O)NCC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000340940222 534452146 /nfs/dbraw/zinc/45/21/46/534452146.db2.gz SCBPGFKKDQRHEP-ZDUSSCGKSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cncs1 ZINC000493819048 534718953 /nfs/dbraw/zinc/71/89/53/534718953.db2.gz JOAPIWDXKVCYSS-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCCO1 ZINC000493699881 534800790 /nfs/dbraw/zinc/80/07/90/534800790.db2.gz WNLXPAXBTLBSRF-PLNGDYQASA-N 1 2 221.260 1.367 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC/C=C/Cl ZINC000493672531 534802956 /nfs/dbraw/zinc/80/29/56/534802956.db2.gz HNDHOZCVXYTXLU-QJZZYWSGSA-N 1 2 227.651 1.223 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)CC1CCC1 ZINC000492809562 534803086 /nfs/dbraw/zinc/80/30/86/534803086.db2.gz GHJWQAUSIJYHSI-RXNFCKPNSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC12CCCC2 ZINC000492965817 534804558 /nfs/dbraw/zinc/80/45/58/534804558.db2.gz WVJMCSFIRAOCOD-BYCRGOAPSA-N 1 2 231.299 1.872 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C=CCCC1 ZINC000493804880 534804692 /nfs/dbraw/zinc/80/46/92/534804692.db2.gz UDIVAAXPLDWGJL-GFVADAIESA-N 1 2 217.272 1.648 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000335984849 536407881 /nfs/dbraw/zinc/40/78/81/536407881.db2.gz GANRWWYADUKXPT-UHFFFAOYSA-N 1 2 245.326 1.347 20 0 BDADLO CC(C)c1nc(N2CCN(C)C(=O)[C@H]2C)cc[nH+]1 ZINC000302414962 534906845 /nfs/dbraw/zinc/90/68/45/534906845.db2.gz MBXGASJVOXMUEV-SNVBAGLBSA-N 1 2 248.330 1.267 20 0 BDADLO C/C=C(/C=C\C(=O)NCCc1cn(C)c[nH+]1)CC ZINC000492981147 527560404 /nfs/dbraw/zinc/56/04/04/527560404.db2.gz FZVHLOZIUXYZRI-WLWVQNKQSA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)C(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493445043 527572459 /nfs/dbraw/zinc/57/24/59/527572459.db2.gz CKTQMRKZOFICHJ-AATRIKPKSA-N 1 2 221.304 1.974 20 0 BDADLO C/C=C/C=C/C(=O)NCCc1c[nH+]cn1C ZINC000492713582 527580019 /nfs/dbraw/zinc/58/00/19/527580019.db2.gz WMPOWZWWPNJORI-VNKDHWASSA-N 1 2 219.288 1.211 20 0 BDADLO CC(C)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492761832 527815786 /nfs/dbraw/zinc/81/57/86/527815786.db2.gz HEQWGMLEXIRDKX-AAOUONPWSA-N 1 2 249.314 1.306 20 0 BDADLO COCCC[N@H+](C)Cc1ncnn1CC(C)C ZINC000182695140 536513603 /nfs/dbraw/zinc/51/36/03/536513603.db2.gz JJZRWQDOUCJGBH-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO COCCC[N@@H+](C)Cc1ncnn1CC(C)C ZINC000182695140 536513616 /nfs/dbraw/zinc/51/36/16/536513616.db2.gz JJZRWQDOUCJGBH-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO CC(C)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493425719 527908121 /nfs/dbraw/zinc/90/81/21/527908121.db2.gz FUCRTEUIXOABIL-SNAWJCMRSA-N 1 2 207.277 1.537 20 0 BDADLO CCC[C@H](C)N(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488385540 528048770 /nfs/dbraw/zinc/04/87/70/528048770.db2.gz LHCFZIMDAXAUQL-VIFPVBQESA-N 1 2 237.351 1.871 20 0 BDADLO CCC[C@H](C)N(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488385540 528048776 /nfs/dbraw/zinc/04/87/76/528048776.db2.gz LHCFZIMDAXAUQL-VIFPVBQESA-N 1 2 237.351 1.871 20 0 BDADLO CC(C)c1nc(N2CCC[C@H]2CCO)cc[nH+]1 ZINC000489986642 528365146 /nfs/dbraw/zinc/36/51/46/528365146.db2.gz VCTPEKUAVHPVEZ-NSHDSACASA-N 1 2 235.331 1.951 20 0 BDADLO CCC[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493188334 528386876 /nfs/dbraw/zinc/38/68/76/528386876.db2.gz LTLYFTVPNRJZCD-ZWNMCFTASA-N 1 2 249.314 1.450 20 0 BDADLO CC(C)n1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493195790 528678635 /nfs/dbraw/zinc/67/86/35/528678635.db2.gz ITUZLMVFFHLUBC-ARJAWSKDSA-N 1 2 245.286 1.839 20 0 BDADLO CC(F)(F)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493447865 528725184 /nfs/dbraw/zinc/72/51/84/528725184.db2.gz HHGIIVWZMPOXJF-NSCUHMNNSA-N 1 2 229.230 1.584 20 0 BDADLO CCC(CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492951705 528754136 /nfs/dbraw/zinc/75/41/36/528754136.db2.gz MHLHPOIVGVUYQH-WAYWQWQTSA-N 1 2 221.304 1.975 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000172717220 528870026 /nfs/dbraw/zinc/87/00/26/528870026.db2.gz MNMFNFGZCJTSTA-UHFFFAOYSA-N 1 2 246.314 1.030 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc2ccccn12 ZINC000172717220 528870034 /nfs/dbraw/zinc/87/00/34/528870034.db2.gz MNMFNFGZCJTSTA-UHFFFAOYSA-N 1 2 246.314 1.030 20 0 BDADLO CC1(C)CC(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492903186 528885851 /nfs/dbraw/zinc/88/58/51/528885851.db2.gz SNOYERKTFVBJOZ-ARJAWSKDSA-N 1 2 233.315 1.975 20 0 BDADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000493683155 528907672 /nfs/dbraw/zinc/90/76/72/528907672.db2.gz FFIPCUHNPRFUGF-HMDXOVGESA-N 1 2 235.287 1.060 20 0 BDADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493274419 528908005 /nfs/dbraw/zinc/90/80/05/528908005.db2.gz SXXAKJNVLSJOCW-AATRIKPKSA-N 1 2 207.277 1.680 20 0 BDADLO CC1(C)CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000492859249 529020244 /nfs/dbraw/zinc/02/02/44/529020244.db2.gz GLPKHJSOCINYRC-BYCRGOAPSA-N 1 2 249.314 1.497 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891815 529030190 /nfs/dbraw/zinc/03/01/90/529030190.db2.gz KMPKUGOOLYJGFD-XOULXFPDSA-N 1 2 219.288 1.728 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494269052 529118139 /nfs/dbraw/zinc/11/81/39/529118139.db2.gz UODURQPAXFTKAR-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494269052 529118143 /nfs/dbraw/zinc/11/81/43/529118143.db2.gz UODURQPAXFTKAR-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO CC[C@H]1CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000487552831 529240971 /nfs/dbraw/zinc/24/09/71/529240971.db2.gz YDPSGAYEINLFTM-NSHDSACASA-N 1 2 236.319 1.467 20 0 BDADLO CC(C)N(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000335595094 534990601 /nfs/dbraw/zinc/99/06/01/534990601.db2.gz NZPSXVZKRWHSST-LLVKDONJSA-N 1 2 242.269 1.831 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249348022 535070020 /nfs/dbraw/zinc/07/00/20/535070020.db2.gz VMEPJWAQISKQHF-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249348022 535070032 /nfs/dbraw/zinc/07/00/32/535070032.db2.gz VMEPJWAQISKQHF-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC(C)N1CCC[C@@H]([N@@H+]2CCO[C@H](C)C2)C1=O ZINC000177679779 535167611 /nfs/dbraw/zinc/16/76/11/535167611.db2.gz OLEXLDXIPFFNHB-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@@H]([N@H+]2CCO[C@H](C)C2)C1=O ZINC000177679779 535167615 /nfs/dbraw/zinc/16/76/15/535167615.db2.gz OLEXLDXIPFFNHB-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185993456 535295711 /nfs/dbraw/zinc/29/57/11/535295711.db2.gz UZMFPSHVCFMROJ-GWCFXTLKSA-N 1 2 235.331 1.751 20 0 BDADLO CCCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000170916922 535416573 /nfs/dbraw/zinc/41/65/73/535416573.db2.gz BLNPGCASHYPLNQ-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000170916922 535416577 /nfs/dbraw/zinc/41/65/77/535416577.db2.gz BLNPGCASHYPLNQ-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO CCN1CC[N@H+](Cc2ncccc2C)[C@@H](C)C1=O ZINC000336107543 535722257 /nfs/dbraw/zinc/72/22/57/535722257.db2.gz PPAFZEBQXWQILH-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ncccc2C)[C@@H](C)C1=O ZINC000336107543 535722264 /nfs/dbraw/zinc/72/22/64/535722264.db2.gz PPAFZEBQXWQILH-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccn(C)n1 ZINC000349445787 535805560 /nfs/dbraw/zinc/80/55/60/535805560.db2.gz ADJKMYLYKFIXAX-LLVKDONJSA-N 1 2 234.303 1.957 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)nn1C ZINC000335620893 535853780 /nfs/dbraw/zinc/85/37/80/535853780.db2.gz FJYWEKWAFFRSDR-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)nn1C ZINC000335620893 535853783 /nfs/dbraw/zinc/85/37/83/535853783.db2.gz FJYWEKWAFFRSDR-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CCc1cnccc1C(=O)N1CC[NH+](C)CC1 ZINC000336039813 536076629 /nfs/dbraw/zinc/07/66/29/536076629.db2.gz IDEBWWYWBMTWDV-UHFFFAOYSA-N 1 2 233.315 1.032 20 0 BDADLO COC1(C)C[NH+](Cc2cnc(C)s2)C1 ZINC000336085616 536588852 /nfs/dbraw/zinc/58/88/52/536588852.db2.gz UIGWORJNXFIJHX-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348207811 536630983 /nfs/dbraw/zinc/63/09/83/536630983.db2.gz YNGFGLFZFDNCAZ-WCABBAIRSA-N 1 2 227.304 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348207811 536630988 /nfs/dbraw/zinc/63/09/88/536630988.db2.gz YNGFGLFZFDNCAZ-WCABBAIRSA-N 1 2 227.304 1.047 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335385121 536751874 /nfs/dbraw/zinc/75/18/74/536751874.db2.gz CRYGIZQQGLQMKW-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335385121 536751878 /nfs/dbraw/zinc/75/18/78/536751878.db2.gz CRYGIZQQGLQMKW-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC001172929247 974977623 /nfs/dbraw/zinc/97/76/23/974977623.db2.gz DUPRCJSCNTWWOL-GHMZBOCLSA-N 1 2 239.319 1.767 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC001172929247 974977631 /nfs/dbraw/zinc/97/76/31/974977631.db2.gz DUPRCJSCNTWWOL-GHMZBOCLSA-N 1 2 239.319 1.767 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCC(C)(C)C ZINC000291218938 566269171 /nfs/dbraw/zinc/26/91/71/566269171.db2.gz MQWTZCGYCBEGMD-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO Cc1cc(NC(=O)NC2CCOCC2)cc[nH+]1 ZINC000074627203 566291288 /nfs/dbraw/zinc/29/12/88/566291288.db2.gz CGAZQPMQJCFYCS-UHFFFAOYSA-N 1 2 235.287 1.691 20 0 BDADLO CC(C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650988124 566332942 /nfs/dbraw/zinc/33/29/42/566332942.db2.gz UFXZYGHCFKFLHC-UHFFFAOYSA-N 1 2 249.358 1.924 20 0 BDADLO CCN(CCSC)c1nc[nH+]c(N)c1Cl ZINC000591999226 566348347 /nfs/dbraw/zinc/34/83/47/566348347.db2.gz IYFUFMBMZJZAHV-UHFFFAOYSA-N 1 2 246.767 1.902 20 0 BDADLO CCN(CCSC)c1[nH+]cnc(N)c1Cl ZINC000591999226 566348354 /nfs/dbraw/zinc/34/83/54/566348354.db2.gz IYFUFMBMZJZAHV-UHFFFAOYSA-N 1 2 246.767 1.902 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c(C)noc2C)o1 ZINC000235953789 566368002 /nfs/dbraw/zinc/36/80/02/566368002.db2.gz IDWHIRKTSOCJOH-UHFFFAOYSA-N 1 2 221.260 1.878 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1C=CCC1 ZINC000853798341 583069771 /nfs/dbraw/zinc/06/97/71/583069771.db2.gz NCWROYIJFTUDFS-ZETCQYMHSA-N 1 2 206.249 1.198 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1C=CCC1 ZINC000853798341 583069774 /nfs/dbraw/zinc/06/97/74/583069774.db2.gz NCWROYIJFTUDFS-ZETCQYMHSA-N 1 2 206.249 1.198 20 0 BDADLO C[C@H](O)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000893562137 583164383 /nfs/dbraw/zinc/16/43/83/583164383.db2.gz PJOCGAFBKCMNAR-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO C[C@H](O)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000893562137 583164384 /nfs/dbraw/zinc/16/43/84/583164384.db2.gz PJOCGAFBKCMNAR-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO COCC1CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000894003240 583272938 /nfs/dbraw/zinc/27/29/38/583272938.db2.gz HKEGPHNCYNHOPY-UHFFFAOYSA-N 1 2 237.347 1.885 20 0 BDADLO CN(C)c1ccc(CNc2cnc(F)cn2)c[nH+]1 ZINC000853153304 588722923 /nfs/dbraw/zinc/72/29/23/588722923.db2.gz LFQVFJLXFPRHDV-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO Fc1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000853427716 588741960 /nfs/dbraw/zinc/74/19/60/588741960.db2.gz OPUVWWJEJZOIID-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO Fc1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000853427716 588741961 /nfs/dbraw/zinc/74/19/61/588741961.db2.gz OPUVWWJEJZOIID-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501111 588746232 /nfs/dbraw/zinc/74/62/32/588746232.db2.gz YOICHDIGGSJTNH-LBPRGKRZSA-N 1 2 239.319 1.614 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501111 588746233 /nfs/dbraw/zinc/74/62/33/588746233.db2.gz YOICHDIGGSJTNH-LBPRGKRZSA-N 1 2 239.319 1.614 20 0 BDADLO CC(C)[C@@H]1CCN(C[N@@H+]2CCCOCC2)C1=O ZINC000853492819 588745864 /nfs/dbraw/zinc/74/58/64/588745864.db2.gz BWNAASWUBNEWMF-LBPRGKRZSA-N 1 2 240.347 1.171 20 0 BDADLO CC(C)[C@@H]1CCN(C[N@H+]2CCCOCC2)C1=O ZINC000853492819 588745865 /nfs/dbraw/zinc/74/58/65/588745865.db2.gz BWNAASWUBNEWMF-LBPRGKRZSA-N 1 2 240.347 1.171 20 0 BDADLO CC[N@H+](Cn1nc(C)oc1=O)[C@@H](C)C(C)C ZINC000853492357 588745875 /nfs/dbraw/zinc/74/58/75/588745875.db2.gz NALAFHNTUQIBNF-VIFPVBQESA-N 1 2 227.308 1.469 20 0 BDADLO CC[N@@H+](Cn1nc(C)oc1=O)[C@@H](C)C(C)C ZINC000853492357 588745876 /nfs/dbraw/zinc/74/58/76/588745876.db2.gz NALAFHNTUQIBNF-VIFPVBQESA-N 1 2 227.308 1.469 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c(=O)o1 ZINC000853512074 588747065 /nfs/dbraw/zinc/74/70/65/588747065.db2.gz YCJHIRWMMBZBAZ-JTQLQIEISA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c(=O)o1 ZINC000853512074 588747066 /nfs/dbraw/zinc/74/70/66/588747066.db2.gz YCJHIRWMMBZBAZ-JTQLQIEISA-N 1 2 239.319 1.613 20 0 BDADLO O=c1sccn1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576778 588749348 /nfs/dbraw/zinc/74/93/48/588749348.db2.gz QRSGFJDGOUBXAN-RKDXNWHRSA-N 1 2 210.302 1.209 20 0 BDADLO O=c1sccn1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576778 588749349 /nfs/dbraw/zinc/74/93/49/588749349.db2.gz QRSGFJDGOUBXAN-RKDXNWHRSA-N 1 2 210.302 1.209 20 0 BDADLO CCn1cnn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1=S ZINC000853576723 588749390 /nfs/dbraw/zinc/74/93/90/588749390.db2.gz FYEDCCCKAJUKTK-NXEZZACHSA-N 1 2 238.360 1.733 20 0 BDADLO CCn1cnn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1=S ZINC000853576723 588749391 /nfs/dbraw/zinc/74/93/91/588749391.db2.gz FYEDCCCKAJUKTK-NXEZZACHSA-N 1 2 238.360 1.733 20 0 BDADLO CC(C)c1nc(NCCn2cnnc2)cc[nH+]1 ZINC000853652219 588752470 /nfs/dbraw/zinc/75/24/70/588752470.db2.gz FBPUWNVTSGKJHC-UHFFFAOYSA-N 1 2 232.291 1.304 20 0 BDADLO CCn1cc[nH+]c1CNc1cnc(F)cn1 ZINC000853655691 588752695 /nfs/dbraw/zinc/75/26/95/588752695.db2.gz ARKRJEYRFSQNAE-UHFFFAOYSA-N 1 2 221.239 1.444 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853658977 588752819 /nfs/dbraw/zinc/75/28/19/588752819.db2.gz SABRLPRQNJHWHP-JGPRNRPPSA-N 1 2 226.320 1.956 20 0 BDADLO C[C@H]1C[C@@H](Nc2ncccn2)c2[nH+]ccn21 ZINC000853668428 588754026 /nfs/dbraw/zinc/75/40/26/588754026.db2.gz NFPDVKLYRFYNBF-DTWKUNHWSA-N 1 2 215.260 1.791 20 0 BDADLO CC(C)=CCCO[NH+]=C(N)CN1CCOCC1 ZINC000853668129 588754104 /nfs/dbraw/zinc/75/41/04/588754104.db2.gz VNRXIYIIXUEKJA-UHFFFAOYSA-N 1 2 241.335 1.173 20 0 BDADLO CCc1nc(C)c(CO[NH+]=C(N)[C@H](C)OC)o1 ZINC000853673536 588754738 /nfs/dbraw/zinc/75/47/38/588754738.db2.gz FZIBRGIKOVXTKO-QMMMGPOBSA-N 1 2 241.291 1.579 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC1(C)CCC1 ZINC000853674087 588754808 /nfs/dbraw/zinc/75/48/08/588754808.db2.gz QYUKMOZWTJJRMP-QMMMGPOBSA-N 1 2 200.282 1.710 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1oc(C)nc1C ZINC000853674231 588754855 /nfs/dbraw/zinc/75/48/55/588754855.db2.gz URTXLOOFCNUEAE-ZETCQYMHSA-N 1 2 227.264 1.325 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cc(C2CC2)no1 ZINC000853674455 588754863 /nfs/dbraw/zinc/75/48/63/588754863.db2.gz ZIXPXUAWCJXYRC-ZETCQYMHSA-N 1 2 239.275 1.585 20 0 BDADLO CC(C)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000853698704 588757704 /nfs/dbraw/zinc/75/77/04/588757704.db2.gz SAKFZGPUJWQCNZ-BDAKNGLRSA-N 1 2 200.282 1.708 20 0 BDADLO O=C1CCC2=C(CCN(c3cccc[nH+]3)C2)N1 ZINC000853745344 588761171 /nfs/dbraw/zinc/76/11/71/588761171.db2.gz UZDMCQDZICHPAW-UHFFFAOYSA-N 1 2 229.283 1.456 20 0 BDADLO Cc1ccnc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000853967365 588770528 /nfs/dbraw/zinc/77/05/28/588770528.db2.gz QFGSSSKDHXKRSR-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO Cc1ccccc1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854256735 588782210 /nfs/dbraw/zinc/78/22/10/588782210.db2.gz VFFFZCDXDJZZMV-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854456205 588787520 /nfs/dbraw/zinc/78/75/20/588787520.db2.gz MXLDPKCDOYFVSN-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCc1c[nH+]cn1C ZINC000854498631 588789545 /nfs/dbraw/zinc/78/95/45/588789545.db2.gz IFCXKFHZVSTAEG-GFCCVEGCSA-N 1 2 241.310 1.955 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854499167 588789568 /nfs/dbraw/zinc/78/95/68/588789568.db2.gz VCFSBWFHLLWWTD-MYJAWHEDSA-N 1 2 219.288 1.082 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000854498650 588789658 /nfs/dbraw/zinc/78/96/58/588789658.db2.gz IQGBARRDQRSCQF-MVWJERBFSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854684560 588801117 /nfs/dbraw/zinc/80/11/17/588801117.db2.gz BNRYKADWWJMCFA-VGMNWLOBSA-N 1 2 205.261 1.100 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)C1CC2(CC2)C1 ZINC000854685217 588801273 /nfs/dbraw/zinc/80/12/73/588801273.db2.gz JKIZPSGQIKUBRO-JTQLQIEISA-N 1 2 231.299 1.634 20 0 BDADLO CC1=NO[C@H](C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000854845200 588813210 /nfs/dbraw/zinc/81/32/10/588813210.db2.gz KVROVDNPMZTQCQ-GUBZILKMSA-N 1 2 248.286 1.170 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000854896126 588815830 /nfs/dbraw/zinc/81/58/30/588815830.db2.gz IIEXYLAPCGVFAL-SECBINFHSA-N 1 2 221.304 1.742 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](C1CC1)C1CCC1 ZINC000854903275 588816101 /nfs/dbraw/zinc/81/61/01/588816101.db2.gz IIQWQBIXGXKQQP-ZDUSSCGKSA-N 1 2 233.315 1.647 20 0 BDADLO CC(C)OCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854942754 588817707 /nfs/dbraw/zinc/81/77/07/588817707.db2.gz SQJOAGINJAJRPH-UHFFFAOYSA-N 1 2 239.319 1.272 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nccn1C1CC1 ZINC000854950905 588818689 /nfs/dbraw/zinc/81/86/89/588818689.db2.gz WVFRBSFPXODBLG-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BDADLO CCON(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000855008259 588820345 /nfs/dbraw/zinc/82/03/45/588820345.db2.gz BZZZIFGIGOHWQG-UHFFFAOYSA-N 1 2 211.265 1.141 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C=C1CCC1 ZINC000855134710 588822702 /nfs/dbraw/zinc/82/27/02/588822702.db2.gz XRNYVQSMAOCYNG-UHFFFAOYSA-N 1 2 205.261 1.478 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C=C1CCC1 ZINC000855134710 588822703 /nfs/dbraw/zinc/82/27/03/588822703.db2.gz XRNYVQSMAOCYNG-UHFFFAOYSA-N 1 2 205.261 1.478 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(Cl)Cl ZINC000855137182 588823475 /nfs/dbraw/zinc/82/34/75/588823475.db2.gz ZZMVVPYVPSUGHH-UHFFFAOYSA-N 1 2 236.102 1.562 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(Cl)Cl ZINC000855137182 588823476 /nfs/dbraw/zinc/82/34/76/588823476.db2.gz ZZMVVPYVPSUGHH-UHFFFAOYSA-N 1 2 236.102 1.562 20 0 BDADLO Fc1cc(C[N@@H+]2CCOCC23CCC3)ccn1 ZINC000859202624 582486279 /nfs/dbraw/zinc/48/62/79/582486279.db2.gz RPAISALDLHRIFP-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cc(C[N@H+]2CCOCC23CCC3)ccn1 ZINC000859202624 582486281 /nfs/dbraw/zinc/48/62/81/582486281.db2.gz RPAISALDLHRIFP-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccns1 ZINC000860061962 582500891 /nfs/dbraw/zinc/50/08/91/582500891.db2.gz PHMZLAGMTHVTPC-SFYZADRCSA-N 1 2 249.343 1.927 20 0 BDADLO CC(C)c1nc(N2CC[C@H]3C[C@H]32)nc(N(C)C)[nH+]1 ZINC000804688653 582526186 /nfs/dbraw/zinc/52/61/86/582526186.db2.gz LCEJHYFJDKGDGG-VHSXEESVSA-N 1 2 247.346 1.660 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000855426342 588833823 /nfs/dbraw/zinc/83/38/23/588833823.db2.gz DPSJNNHHGCXOBD-MNOVXSKESA-N 1 2 231.299 1.280 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC=CC[C@H]1C ZINC000890767620 582543639 /nfs/dbraw/zinc/54/36/39/582543639.db2.gz RXEHYZZBFKEQSJ-MWLCHTKSSA-N 1 2 233.315 1.732 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC=CC[C@H]1C ZINC000890767620 582543640 /nfs/dbraw/zinc/54/36/40/582543640.db2.gz RXEHYZZBFKEQSJ-MWLCHTKSSA-N 1 2 233.315 1.732 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)cn2)[C@H](C)CO1 ZINC000844390663 582580517 /nfs/dbraw/zinc/58/05/17/582580517.db2.gz ZUFZBZMWOJJVME-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)cn2)[C@H](C)CO1 ZINC000844390663 582580520 /nfs/dbraw/zinc/58/05/20/582580520.db2.gz ZUFZBZMWOJJVME-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)C(C)(C)O ZINC000890852170 582580575 /nfs/dbraw/zinc/58/05/75/582580575.db2.gz POBJNTWVJWRSCW-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO CCCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000147040924 582599473 /nfs/dbraw/zinc/59/94/73/582599473.db2.gz MLRRVXGFCIHMLR-UHFFFAOYSA-N 1 2 223.324 1.848 20 0 BDADLO CCCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000147040924 582599477 /nfs/dbraw/zinc/59/94/77/582599477.db2.gz MLRRVXGFCIHMLR-UHFFFAOYSA-N 1 2 223.324 1.848 20 0 BDADLO CCc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c32)no1 ZINC000891257796 582642470 /nfs/dbraw/zinc/64/24/70/582642470.db2.gz UWWZBHQMQUEFMK-SECBINFHSA-N 1 2 246.270 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)C[C@H](C)O1 ZINC000891402202 582678155 /nfs/dbraw/zinc/67/81/55/582678155.db2.gz OTZRKAPFFPAVHF-PHIMTYICSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCC3)C[C@H](C)O1 ZINC000891402202 582678156 /nfs/dbraw/zinc/67/81/56/582678156.db2.gz OTZRKAPFFPAVHF-PHIMTYICSA-N 1 2 249.358 1.518 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000891544070 582695833 /nfs/dbraw/zinc/69/58/33/582695833.db2.gz VMZOJUGEDAGXSZ-JTQLQIEISA-N 1 2 225.288 1.899 20 0 BDADLO CCOc1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000891544070 582695834 /nfs/dbraw/zinc/69/58/34/582695834.db2.gz VMZOJUGEDAGXSZ-JTQLQIEISA-N 1 2 225.288 1.899 20 0 BDADLO Cc1cc(C[N@H+](C)CC(N)=O)c2c(n1)CCCC2 ZINC000891582577 582699063 /nfs/dbraw/zinc/69/90/63/582699063.db2.gz TZHSSYQMWHZJGK-UHFFFAOYSA-N 1 2 247.342 1.186 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(N)=O)c2c(n1)CCCC2 ZINC000891582577 582699066 /nfs/dbraw/zinc/69/90/66/582699066.db2.gz TZHSSYQMWHZJGK-UHFFFAOYSA-N 1 2 247.342 1.186 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000891672242 582708608 /nfs/dbraw/zinc/70/86/08/582708608.db2.gz VHNQLUCPCFFRTR-VHSXEESVSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000891672242 582708610 /nfs/dbraw/zinc/70/86/10/582708610.db2.gz VHNQLUCPCFFRTR-VHSXEESVSA-N 1 2 225.288 1.897 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)o1 ZINC000891715576 582713225 /nfs/dbraw/zinc/71/32/25/582713225.db2.gz FRUZBPDOCKSREM-JTQLQIEISA-N 1 2 225.288 1.899 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)o1 ZINC000891715576 582713227 /nfs/dbraw/zinc/71/32/27/582713227.db2.gz FRUZBPDOCKSREM-JTQLQIEISA-N 1 2 225.288 1.899 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cnc(F)c(C)c1 ZINC000891736577 582715552 /nfs/dbraw/zinc/71/55/52/582715552.db2.gz OEHYAOQOJCDCGW-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cnc(F)c(C)c1 ZINC000891736577 582715553 /nfs/dbraw/zinc/71/55/53/582715553.db2.gz OEHYAOQOJCDCGW-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CCc1cc(N2CCOC[C@@H]2C)nc(CC)[nH+]1 ZINC000891755460 582717026 /nfs/dbraw/zinc/71/70/26/582717026.db2.gz WMLXYQSKQVFTFO-JTQLQIEISA-N 1 2 235.331 1.827 20 0 BDADLO CN(C)c1cc(N2CCOC(C)(C)C2)nc[nH+]1 ZINC000891792116 582721716 /nfs/dbraw/zinc/72/17/16/582721716.db2.gz BMLIMDKABJJCLE-UHFFFAOYSA-N 1 2 236.319 1.158 20 0 BDADLO CN(C)c1cc(N2CCOC(C)(C)C2)[nH+]cn1 ZINC000891792116 582721719 /nfs/dbraw/zinc/72/17/19/582721719.db2.gz BMLIMDKABJJCLE-UHFFFAOYSA-N 1 2 236.319 1.158 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2c3c(nn2C)CCC3)[C@H]1C ZINC000892048062 582773154 /nfs/dbraw/zinc/77/31/54/582773154.db2.gz GZBNKYNAVMGTRT-WDEREUQCSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2c3c(nn2C)CCC3)[C@H]1C ZINC000892048062 582773155 /nfs/dbraw/zinc/77/31/55/582773155.db2.gz GZBNKYNAVMGTRT-WDEREUQCSA-N 1 2 249.358 1.518 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)Cc1cn[nH]c1 ZINC000892049068 582774097 /nfs/dbraw/zinc/77/40/97/582774097.db2.gz FSZWERQEZYGVOT-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000892049068 582774099 /nfs/dbraw/zinc/77/40/99/582774099.db2.gz FSZWERQEZYGVOT-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO C[C@H](NCc1nccs1)c1[nH]cc[nH+]1 ZINC000124677148 582803436 /nfs/dbraw/zinc/80/34/36/582803436.db2.gz GSIVQJUEMPTTKK-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO Cc1cnnc(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000892159990 582803532 /nfs/dbraw/zinc/80/35/32/582803532.db2.gz SBNSXZMTIHXAGO-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000111690060 582817817 /nfs/dbraw/zinc/81/78/17/582817817.db2.gz FRIIHFUOYNNYFF-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC000111690060 582817819 /nfs/dbraw/zinc/81/78/19/582817819.db2.gz FRIIHFUOYNNYFF-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO CN(C[C@H]1CCCO1)c1nccn2c[nH+]cc12 ZINC000892271865 582823972 /nfs/dbraw/zinc/82/39/72/582823972.db2.gz WNKWIYMNWGYAKJ-SNVBAGLBSA-N 1 2 232.287 1.345 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000892357031 582865965 /nfs/dbraw/zinc/86/59/65/582865965.db2.gz GLPZGCSDQXJEOM-SNVBAGLBSA-N 1 2 232.287 1.450 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccon2)c1OC ZINC000093305882 582875795 /nfs/dbraw/zinc/87/57/95/582875795.db2.gz XXWZFPOXCSWZAQ-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccon2)cc1O ZINC000093305884 582875809 /nfs/dbraw/zinc/87/58/09/582875809.db2.gz HYEGXPLBOAFAPW-UHFFFAOYSA-N 1 2 234.255 1.679 20 0 BDADLO CCc1cc(N(C)[C@@H]2CCOC2)nc(CC)[nH+]1 ZINC000892406325 582878143 /nfs/dbraw/zinc/87/81/43/582878143.db2.gz ZOSMISIZCUNDJS-LLVKDONJSA-N 1 2 235.331 1.827 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@](C)(O)C2CC2)[nH+]1 ZINC000892482828 582896971 /nfs/dbraw/zinc/89/69/71/582896971.db2.gz ZKLOJNCMKCDGRY-RNCFNFMXSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@](C)(O)C2CC2)[nH+]1 ZINC000892482827 582897010 /nfs/dbraw/zinc/89/70/10/582897010.db2.gz ZKLOJNCMKCDGRY-NOZJJQNGSA-N 1 2 236.315 1.708 20 0 BDADLO CCC[C@@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892501601 582898687 /nfs/dbraw/zinc/89/86/87/582898687.db2.gz DIZVYNNMQPJORS-NXEZZACHSA-N 1 2 224.304 1.708 20 0 BDADLO CCc1nc(C[NH2+]Cc2cnn3c2CCC3)co1 ZINC000850316994 582910944 /nfs/dbraw/zinc/91/09/44/582910944.db2.gz QRJFPXNFTCYECM-UHFFFAOYSA-N 1 2 246.314 1.670 20 0 BDADLO C[C@H](CCO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892616247 582931192 /nfs/dbraw/zinc/93/11/92/582931192.db2.gz LGBWDCKZUNSCEP-BDAKNGLRSA-N 1 2 210.277 1.318 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851807529 582967809 /nfs/dbraw/zinc/96/78/09/582967809.db2.gz ABNQNBASGNPBLX-NSHDSACASA-N 1 2 225.292 1.317 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851807529 582967811 /nfs/dbraw/zinc/96/78/11/582967811.db2.gz ABNQNBASGNPBLX-NSHDSACASA-N 1 2 225.292 1.317 20 0 BDADLO C[C@H](NC(=O)[C@@H](O)C(C)(C)C)c1[nH+]ccn1C ZINC000856279050 588866836 /nfs/dbraw/zinc/86/68/36/588866836.db2.gz AVVUFPXPYPVEGX-DTWKUNHWSA-N 1 2 239.319 1.004 20 0 BDADLO C[C@H](NC(=O)/C=C\[C@@H]1CCOC1)c1[nH+]ccn1C ZINC000856280179 588866874 /nfs/dbraw/zinc/86/68/74/588866874.db2.gz KFXTWYAQDPAKQM-CBZSPVTBSA-N 1 2 249.314 1.190 20 0 BDADLO C[C@H](NC(=O)CSC(F)F)c1[nH+]ccn1C ZINC000856281056 588867004 /nfs/dbraw/zinc/86/70/04/588867004.db2.gz LGHSIDBPPJEPHP-LURJTMIESA-N 1 2 249.286 1.553 20 0 BDADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)[C@H]1C ZINC000892799532 582985565 /nfs/dbraw/zinc/98/55/65/582985565.db2.gz FDTUNAILCYCHSV-UWVGGRQHSA-N 1 2 216.288 1.964 20 0 BDADLO N#Cc1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000146859250 583020757 /nfs/dbraw/zinc/02/07/57/583020757.db2.gz LMABDLWREDBFCY-GFCCVEGCSA-N 1 2 213.240 1.488 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000745078035 583022984 /nfs/dbraw/zinc/02/29/84/583022984.db2.gz ACBYRUZTDKXSKE-QWRGUYRKSA-N 1 2 227.304 1.193 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000745078035 583022987 /nfs/dbraw/zinc/02/29/87/583022987.db2.gz ACBYRUZTDKXSKE-QWRGUYRKSA-N 1 2 227.304 1.193 20 0 BDADLO O=C(CCF)OCCc1cn2ccccc2[nH+]1 ZINC000893003386 583027994 /nfs/dbraw/zinc/02/79/94/583027994.db2.gz SANUUAOIRRYHTB-UHFFFAOYSA-N 1 2 236.246 1.780 20 0 BDADLO C[C@]1(O)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893062791 583039969 /nfs/dbraw/zinc/03/99/69/583039969.db2.gz VKPDKLDWAUINFY-LBPRGKRZSA-N 1 2 232.287 1.081 20 0 BDADLO CN(C)c1cc(NCC[C@@H]2CCOC2)[nH+]cn1 ZINC000893145177 583057059 /nfs/dbraw/zinc/05/70/59/583057059.db2.gz XFIQFLJPWUDCIY-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NCC[C@@H]2CCOC2)nc[nH+]1 ZINC000893145177 583057061 /nfs/dbraw/zinc/05/70/61/583057061.db2.gz XFIQFLJPWUDCIY-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CC[C@@H](OC)C2)n1 ZINC000854132099 583075325 /nfs/dbraw/zinc/07/53/25/583075325.db2.gz LESIVORAWMPKSG-DTWKUNHWSA-N 1 2 225.292 1.462 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000893230800 583075923 /nfs/dbraw/zinc/07/59/23/583075923.db2.gz QKWIETBOPAPWQZ-CDAZIORVSA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000893230800 583075924 /nfs/dbraw/zinc/07/59/24/583075924.db2.gz QKWIETBOPAPWQZ-CDAZIORVSA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893240506 583076506 /nfs/dbraw/zinc/07/65/06/583076506.db2.gz XUSCUEYHJBHZRO-UMCURTJPSA-N 1 2 236.319 1.282 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893240506 583076510 /nfs/dbraw/zinc/07/65/10/583076510.db2.gz XUSCUEYHJBHZRO-UMCURTJPSA-N 1 2 236.319 1.282 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnccn1)c1ccco1 ZINC000856771518 588877114 /nfs/dbraw/zinc/87/71/14/588877114.db2.gz HLSQWOHSJWXPQX-LLVKDONJSA-N 1 2 233.271 1.547 20 0 BDADLO CC[C@H](Nc1ccnc(COC)n1)c1[nH]cc[nH+]1 ZINC000893360640 583124098 /nfs/dbraw/zinc/12/40/98/583124098.db2.gz DDACBBDBKCEXBH-VIFPVBQESA-N 1 2 247.302 1.909 20 0 BDADLO CC[C@@H](Nc1ccnc(COC)n1)c1[nH]cc[nH+]1 ZINC000893360638 583124127 /nfs/dbraw/zinc/12/41/27/583124127.db2.gz DDACBBDBKCEXBH-SECBINFHSA-N 1 2 247.302 1.909 20 0 BDADLO C[N@H+](CCc1ccccc1F)CN1CCC1=O ZINC000857232916 583135594 /nfs/dbraw/zinc/13/55/94/583135594.db2.gz QACDIGWYDWTQMI-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO C[N@@H+](CCc1ccccc1F)CN1CCC1=O ZINC000857232916 583135595 /nfs/dbraw/zinc/13/55/95/583135595.db2.gz QACDIGWYDWTQMI-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO CCc1cc(N(C)CCCCO)nc(CC)[nH+]1 ZINC000893428646 583142031 /nfs/dbraw/zinc/14/20/31/583142031.db2.gz RIKZUKXJJIICAJ-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CC[C@@H](O)C2)[nH+]cn1 ZINC000893435259 583142881 /nfs/dbraw/zinc/14/28/81/583142881.db2.gz QFVYMHUURRQLQI-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000893435259 583142882 /nfs/dbraw/zinc/14/28/82/583142882.db2.gz QFVYMHUURRQLQI-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO CCOCCC(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893523136 583156812 /nfs/dbraw/zinc/15/68/12/583156812.db2.gz BRSALXZQYJRTRB-SNVBAGLBSA-N 1 2 238.287 1.606 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@@H]1CC1(F)F ZINC000893527708 583157933 /nfs/dbraw/zinc/15/79/33/583157933.db2.gz GDMKNUKDXKCDME-YUMQZZPRSA-N 1 2 242.225 1.835 20 0 BDADLO CCn1cncc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000893555319 583163831 /nfs/dbraw/zinc/16/38/31/583163831.db2.gz HDBQNVVZOFCHSJ-QFYYESIMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1cncc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000893555319 583163834 /nfs/dbraw/zinc/16/38/34/583163834.db2.gz HDBQNVVZOFCHSJ-QFYYESIMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@@H](C)C[S@](C)=O ZINC000893555319 583163836 /nfs/dbraw/zinc/16/38/36/583163836.db2.gz HDBQNVVZOFCHSJ-QFYYESIMSA-N 1 2 243.376 1.102 20 0 BDADLO C[C@@H](O)c1ccc(N2CCCO[C@H](C)C2)[nH+]c1 ZINC000213277590 583164767 /nfs/dbraw/zinc/16/47/67/583164767.db2.gz BOCFHNBEIYTLGM-GHMZBOCLSA-N 1 2 236.315 1.750 20 0 BDADLO CCOCC[N@H+](CC)Cc1cn(C)nc1Cl ZINC000857014955 588882235 /nfs/dbraw/zinc/88/22/35/588882235.db2.gz QDESKQHXTLMXAK-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cn(C)nc1Cl ZINC000857014955 588882236 /nfs/dbraw/zinc/88/22/36/588882236.db2.gz QDESKQHXTLMXAK-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cn(C)nc2Cl)C1 ZINC000857022701 588882717 /nfs/dbraw/zinc/88/27/17/588882717.db2.gz RPRYDCWSWXQEBI-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cn(C)nc2Cl)C1 ZINC000857022701 588882718 /nfs/dbraw/zinc/88/27/18/588882718.db2.gz RPRYDCWSWXQEBI-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(Cl)n1 ZINC000857047953 588884321 /nfs/dbraw/zinc/88/43/21/588884321.db2.gz SOFBDCHHJKZSNA-IUCAKERBSA-N 1 2 243.763 1.763 20 0 BDADLO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(Cl)n1 ZINC000857047953 588884322 /nfs/dbraw/zinc/88/43/22/588884322.db2.gz SOFBDCHHJKZSNA-IUCAKERBSA-N 1 2 243.763 1.763 20 0 BDADLO COC[C@@](C)(NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000662184178 583211897 /nfs/dbraw/zinc/21/18/97/583211897.db2.gz MPCKWAYLHWQEQX-MRVPVSSYSA-N 1 2 237.225 1.467 20 0 BDADLO COC[C@@](C)(NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000662184178 583211898 /nfs/dbraw/zinc/21/18/98/583211898.db2.gz MPCKWAYLHWQEQX-MRVPVSSYSA-N 1 2 237.225 1.467 20 0 BDADLO CCc1cc(NCc2cnnn2C)nc(CC)[nH+]1 ZINC000893877018 583239786 /nfs/dbraw/zinc/23/97/86/583239786.db2.gz DMGPFKGQTPQBSY-UHFFFAOYSA-N 1 2 246.318 1.342 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893915815 583246500 /nfs/dbraw/zinc/24/65/00/583246500.db2.gz GHWNNTDBJJQFKU-RKDXNWHRSA-N 1 2 224.308 1.378 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893915815 583246502 /nfs/dbraw/zinc/24/65/02/583246502.db2.gz GHWNNTDBJJQFKU-RKDXNWHRSA-N 1 2 224.308 1.378 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2[nH]nc(C)c2C)CCO1 ZINC000893920557 583247930 /nfs/dbraw/zinc/24/79/30/583247930.db2.gz SCPNPMLVWJTQCT-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2[nH]nc(C)c2C)CCO1 ZINC000893920557 583247932 /nfs/dbraw/zinc/24/79/32/583247932.db2.gz SCPNPMLVWJTQCT-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]nc(C[NH+]2CCC(CO)CC2)c1C ZINC000893921274 583248121 /nfs/dbraw/zinc/24/81/21/583248121.db2.gz JJWAFAAJAJDGTD-UHFFFAOYSA-N 1 2 223.320 1.231 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)ccnc2N)CCO1 ZINC000893920565 583248684 /nfs/dbraw/zinc/24/86/84/583248684.db2.gz SEJPNQZLUJYDCK-LLVKDONJSA-N 1 2 235.331 1.583 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)ccnc2N)CCO1 ZINC000893920565 583248686 /nfs/dbraw/zinc/24/86/86/583248686.db2.gz SEJPNQZLUJYDCK-LLVKDONJSA-N 1 2 235.331 1.583 20 0 BDADLO CN(C)c1cc(NCCCCF)[nH+]cn1 ZINC000893927136 583249291 /nfs/dbraw/zinc/24/92/91/583249291.db2.gz YMGMYUJEMWXWSA-UHFFFAOYSA-N 1 2 212.272 1.704 20 0 BDADLO CN(C)c1cc(NCCCCF)nc[nH+]1 ZINC000893927136 583249293 /nfs/dbraw/zinc/24/92/93/583249293.db2.gz YMGMYUJEMWXWSA-UHFFFAOYSA-N 1 2 212.272 1.704 20 0 BDADLO c1cc(N2CC3(C2)CCOCC3)nc(C2CC2)[nH+]1 ZINC000893938368 583253375 /nfs/dbraw/zinc/25/33/75/583253375.db2.gz PBPXDQKYGSBEAL-UHFFFAOYSA-N 1 2 245.326 1.971 20 0 BDADLO CC[N@H+](Cc1ncc(C(=O)OC)s1)C1CC1 ZINC000893940045 583255327 /nfs/dbraw/zinc/25/53/27/583255327.db2.gz NONMQDWVFZKHQR-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CC[N@@H+](Cc1ncc(C(=O)OC)s1)C1CC1 ZINC000893940045 583255329 /nfs/dbraw/zinc/25/53/29/583255329.db2.gz NONMQDWVFZKHQR-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961971 583255771 /nfs/dbraw/zinc/25/57/71/583255771.db2.gz HTUAMLUJDXMTQU-SECBINFHSA-N 1 2 247.298 1.489 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961971 583255773 /nfs/dbraw/zinc/25/57/73/583255773.db2.gz HTUAMLUJDXMTQU-SECBINFHSA-N 1 2 247.298 1.489 20 0 BDADLO Cc1n[nH]c(C[N@H+]2C[C@H](C)OC[C@H]2C)c1C ZINC000893953028 583261416 /nfs/dbraw/zinc/26/14/16/583261416.db2.gz PYQNIYLLCKIZFY-BDAKNGLRSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1C ZINC000893953028 583261418 /nfs/dbraw/zinc/26/14/18/583261418.db2.gz PYQNIYLLCKIZFY-BDAKNGLRSA-N 1 2 223.320 1.636 20 0 BDADLO OC[C@@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000893997688 583268986 /nfs/dbraw/zinc/26/89/86/583268986.db2.gz RHOSNFLNIKRLHK-LLVKDONJSA-N 1 2 246.314 1.328 20 0 BDADLO CCc1nnc(CNc2nccn3c[nH+]cc23)[nH]1 ZINC000894007104 583269994 /nfs/dbraw/zinc/26/99/94/583269994.db2.gz BILYPRIUTBWGEN-UHFFFAOYSA-N 1 2 243.274 1.022 20 0 BDADLO CCc1nc(CNc2nccn3c[nH+]cc23)n[nH]1 ZINC000894007104 583269996 /nfs/dbraw/zinc/26/99/96/583269996.db2.gz BILYPRIUTBWGEN-UHFFFAOYSA-N 1 2 243.274 1.022 20 0 BDADLO CCc1nnc(CNc2cccc([C@H](C)O)[nH+]2)[nH]1 ZINC000894007621 583270175 /nfs/dbraw/zinc/27/01/75/583270175.db2.gz FOFKVPOYPLNAIC-QMMMGPOBSA-N 1 2 247.302 1.428 20 0 BDADLO CCc1cc(N2CCC[C@@H](O)CC2)nc(CC)[nH+]1 ZINC000894001010 583271240 /nfs/dbraw/zinc/27/12/40/583271240.db2.gz MNIARLUESYNFAM-GFCCVEGCSA-N 1 2 249.358 1.953 20 0 BDADLO CC(C)c1c[nH]c(CN2CCS(=O)CC2)[nH+]1 ZINC000894003950 583272640 /nfs/dbraw/zinc/27/26/40/583272640.db2.gz HBYHIPIEZBPQCT-UHFFFAOYSA-N 1 2 241.360 1.097 20 0 BDADLO Cc1cc[nH+]c(N)c1CN(C)Cc1cc[nH]n1 ZINC000894017918 583273227 /nfs/dbraw/zinc/27/32/27/583273227.db2.gz SOKLGODHPDIFRG-UHFFFAOYSA-N 1 2 231.303 1.327 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOCC12CCC2 ZINC000894035245 583279246 /nfs/dbraw/zinc/27/92/46/583279246.db2.gz GAVKEJRKAGQOBB-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOCC12CCC2 ZINC000894035245 583279247 /nfs/dbraw/zinc/27/92/47/583279247.db2.gz GAVKEJRKAGQOBB-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000894035356 583279396 /nfs/dbraw/zinc/27/93/96/583279396.db2.gz XXQQWXUEWMQHKE-SNVBAGLBSA-N 1 2 223.320 1.754 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000894035356 583279399 /nfs/dbraw/zinc/27/93/99/583279399.db2.gz XXQQWXUEWMQHKE-SNVBAGLBSA-N 1 2 223.320 1.754 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1C ZINC000894026506 583280777 /nfs/dbraw/zinc/28/07/77/583280777.db2.gz LTXGAKZPDAJVCQ-QWRGUYRKSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1C ZINC000894026506 583280779 /nfs/dbraw/zinc/28/07/79/583280779.db2.gz LTXGAKZPDAJVCQ-QWRGUYRKSA-N 1 2 223.320 1.636 20 0 BDADLO C[C@H](O)c1cccc(NCCC(C)(C)CO)[nH+]1 ZINC000894029455 583281474 /nfs/dbraw/zinc/28/14/74/583281474.db2.gz DRLSMNMMZJZVDB-JTQLQIEISA-N 1 2 238.331 1.955 20 0 BDADLO CN(C)c1cc(NCCC2(CO)CC2)[nH+]cn1 ZINC000894096338 583301108 /nfs/dbraw/zinc/30/11/08/583301108.db2.gz XHTRFHDVRJQHSN-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CN(C)c1cc(NCCC2(CO)CC2)nc[nH+]1 ZINC000894096338 583301110 /nfs/dbraw/zinc/30/11/10/583301110.db2.gz XHTRFHDVRJQHSN-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO Cn1cnc(CCNc2nccn3c[nH+]cc23)c1 ZINC000894151999 583318916 /nfs/dbraw/zinc/31/89/16/583318916.db2.gz XRITUBNEBYZBEC-UHFFFAOYSA-N 1 2 242.286 1.117 20 0 BDADLO OCCN(Cc1[nH+]ccn1C1CC1)CC(F)F ZINC000894162668 583322022 /nfs/dbraw/zinc/32/20/22/583322022.db2.gz ZPJRFOGMHFIMMM-UHFFFAOYSA-N 1 2 245.273 1.277 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894169350 583325251 /nfs/dbraw/zinc/32/52/51/583325251.db2.gz IEQRPISFLMOBNM-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894169350 583325254 /nfs/dbraw/zinc/32/52/54/583325254.db2.gz IEQRPISFLMOBNM-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H](O)c1cccc(N2CCO[C@@H](CF)C2)[nH+]1 ZINC000894181208 583331033 /nfs/dbraw/zinc/33/10/33/583331033.db2.gz JXAWONJYHMMEMT-UWVGGRQHSA-N 1 2 240.278 1.310 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cccc(C)n1 ZINC000894184128 583331950 /nfs/dbraw/zinc/33/19/50/583331950.db2.gz RKRKYWDGGXWMSK-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCCNC(=O)C1 ZINC000726789922 583374025 /nfs/dbraw/zinc/37/40/25/583374025.db2.gz JGBCKXXFAKPHKV-JTQLQIEISA-N 1 2 236.290 1.709 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCCNC(=O)C1 ZINC000726789922 583374027 /nfs/dbraw/zinc/37/40/27/583374027.db2.gz JGBCKXXFAKPHKV-JTQLQIEISA-N 1 2 236.290 1.709 20 0 BDADLO Cc1cccnc1NC(=O)C[NH+]1[C@H](C)C[C@H]1C ZINC000878532220 583380415 /nfs/dbraw/zinc/38/04/15/583380415.db2.gz BOLVVRFDJKIBSH-GHMZBOCLSA-N 1 2 233.315 1.811 20 0 BDADLO OCc1ccc(NCc2nccn2C2CC2)[nH+]c1 ZINC000894227225 583383668 /nfs/dbraw/zinc/38/36/68/583383668.db2.gz RDHYMZRXCLEMTL-UHFFFAOYSA-N 1 2 244.298 1.717 20 0 BDADLO CCn1cc[nH+]c1CNc1ccc(F)nn1 ZINC000857224777 588895703 /nfs/dbraw/zinc/89/57/03/588895703.db2.gz BLPFCSBUNZJFPY-UHFFFAOYSA-N 1 2 221.239 1.444 20 0 BDADLO c1cc2c(c(C[N@@H+]3CCOCC34CC4)c1)OCC2 ZINC000894279075 583407387 /nfs/dbraw/zinc/40/73/87/583407387.db2.gz LVUJNJHXSGOXJY-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO c1cc2c(c(C[N@H+]3CCOCC34CC4)c1)OCC2 ZINC000894279075 583407388 /nfs/dbraw/zinc/40/73/88/583407388.db2.gz LVUJNJHXSGOXJY-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@](F)(CO)C2)c(C)n1 ZINC000894281557 583408552 /nfs/dbraw/zinc/40/85/52/583408552.db2.gz RHWZHQXNSWPJIO-LBPRGKRZSA-N 1 2 241.310 1.118 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@](F)(CO)C2)c(C)n1 ZINC000894281557 583408554 /nfs/dbraw/zinc/40/85/54/583408554.db2.gz RHWZHQXNSWPJIO-LBPRGKRZSA-N 1 2 241.310 1.118 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](CN1CCC1=O)CC2 ZINC000857231774 588897096 /nfs/dbraw/zinc/89/70/96/588897096.db2.gz SGLHYUUBIQCKGD-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO COc1ccc2c(c1)C[N@H+](CN1CCC1=O)CC2 ZINC000857231774 588897097 /nfs/dbraw/zinc/89/70/97/588897097.db2.gz SGLHYUUBIQCKGD-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO Cc1ncoc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000894330852 583425335 /nfs/dbraw/zinc/42/53/35/583425335.db2.gz WWZWQMYZXYHJKF-JTQLQIEISA-N 1 2 232.287 1.353 20 0 BDADLO COc1ccc(NCc2ocnc2C)[nH+]c1 ZINC000894341845 583428741 /nfs/dbraw/zinc/42/87/41/583428741.db2.gz FNUGJESCGZNQCZ-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cnc[nH]1)CO2 ZINC000894347417 583431633 /nfs/dbraw/zinc/43/16/33/583431633.db2.gz JIRGZPKTSYBGLS-GFCCVEGCSA-N 1 2 229.283 1.941 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cnc[nH]1)CO2 ZINC000894347418 583431673 /nfs/dbraw/zinc/43/16/73/583431673.db2.gz JIRGZPKTSYBGLS-LBPRGKRZSA-N 1 2 229.283 1.941 20 0 BDADLO Cc1ncoc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791995790 583454369 /nfs/dbraw/zinc/45/43/69/583454369.db2.gz QXCJMUDMFSNNQN-UHFFFAOYSA-N 1 2 233.227 1.317 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1C ZINC000894420526 583455462 /nfs/dbraw/zinc/45/54/62/583455462.db2.gz OHCZIJNTAZMDIX-CYBMUJFWSA-N 1 2 237.347 1.883 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H](C(C)C)C2)c1C ZINC000894420526 583455464 /nfs/dbraw/zinc/45/54/64/583455464.db2.gz OHCZIJNTAZMDIX-CYBMUJFWSA-N 1 2 237.347 1.883 20 0 BDADLO COCC1(CNc2cc(N(C)C)nc[nH+]2)CC1 ZINC000894426565 583456415 /nfs/dbraw/zinc/45/64/15/583456415.db2.gz SHYFIBNQTIMXDH-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO COCC1(CNc2cc(N(C)C)[nH+]cn2)CC1 ZINC000894426565 583456417 /nfs/dbraw/zinc/45/64/17/583456417.db2.gz SHYFIBNQTIMXDH-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(F)c(C)c2)[nH]1 ZINC000894466898 583468228 /nfs/dbraw/zinc/46/82/28/583468228.db2.gz FXHKKWQJAVKMAD-QMMMGPOBSA-N 1 2 249.293 1.806 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nccn1C1CC1 ZINC000894465649 583468547 /nfs/dbraw/zinc/46/85/47/583468547.db2.gz YVMRLUKSSPJNIY-VIFPVBQESA-N 1 2 209.293 1.031 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nccn1C1CC1 ZINC000894465649 583468549 /nfs/dbraw/zinc/46/85/49/583468549.db2.gz YVMRLUKSSPJNIY-VIFPVBQESA-N 1 2 209.293 1.031 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)c(C)n1 ZINC000894468610 583468592 /nfs/dbraw/zinc/46/85/92/583468592.db2.gz YKBGXRFBQDJDPK-VIFPVBQESA-N 1 2 248.334 1.489 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)c1cnccn1 ZINC000894470669 583469177 /nfs/dbraw/zinc/46/91/77/583469177.db2.gz OPFKIPAYZJEVOC-CMPLNLGQSA-N 1 2 249.314 1.565 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1[C@@H](C)c1cnccn1 ZINC000894470669 583469179 /nfs/dbraw/zinc/46/91/79/583469179.db2.gz OPFKIPAYZJEVOC-CMPLNLGQSA-N 1 2 249.314 1.565 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cccc(F)c1N ZINC000894587189 583490726 /nfs/dbraw/zinc/49/07/26/583490726.db2.gz UMGZUTZBXJKJBS-UHFFFAOYSA-N 1 2 234.278 1.763 20 0 BDADLO C[C@@H](O)c1cccc(NCCOCCF)[nH+]1 ZINC000894648546 583500376 /nfs/dbraw/zinc/50/03/76/583500376.db2.gz GWMHWEJWROOBAX-SECBINFHSA-N 1 2 228.267 1.533 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000894667949 583503017 /nfs/dbraw/zinc/50/30/17/583503017.db2.gz PFGQLQMZNPZJEU-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000894667949 583503019 /nfs/dbraw/zinc/50/30/19/583503019.db2.gz PFGQLQMZNPZJEU-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO CN(C)c1cc(NCC[C@@H]2CC2(F)F)[nH+]cn1 ZINC000894673268 583504481 /nfs/dbraw/zinc/50/44/81/583504481.db2.gz MMBCZZJZYBXUND-MRVPVSSYSA-N 1 2 242.273 2.000 20 0 BDADLO CN(C)c1cc(NCC[C@@H]2CC2(F)F)nc[nH+]1 ZINC000894673268 583504483 /nfs/dbraw/zinc/50/44/83/583504483.db2.gz MMBCZZJZYBXUND-MRVPVSSYSA-N 1 2 242.273 2.000 20 0 BDADLO CCn1nncc1CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894700249 583509874 /nfs/dbraw/zinc/50/98/74/583509874.db2.gz NVYCTITXVZEJDN-SECBINFHSA-N 1 2 247.302 1.358 20 0 BDADLO CNc1cc(N[C@@H](CO)CCC(C)C)nc[nH+]1 ZINC000894724858 583515145 /nfs/dbraw/zinc/51/51/45/583515145.db2.gz AQXYCXKNVQKINC-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CNc1cc(N[C@@H](CO)CCC(C)C)[nH+]cn1 ZINC000894724858 583515146 /nfs/dbraw/zinc/51/51/46/583515146.db2.gz AQXYCXKNVQKINC-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ccc(OC)cn2)o1 ZINC000894755325 583516062 /nfs/dbraw/zinc/51/60/62/583516062.db2.gz ZUQKFWPZTPEUCG-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO COC(=O)[C@H](C[NH2+]Cc1ccn[nH]1)CC(C)C ZINC000894790932 583520604 /nfs/dbraw/zinc/52/06/04/583520604.db2.gz OLVLDJSUEJIWFJ-JTQLQIEISA-N 1 2 239.319 1.335 20 0 BDADLO Cc1ncoc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000894790838 583520731 /nfs/dbraw/zinc/52/07/31/583520731.db2.gz XCUORCARDWJXOH-UHFFFAOYSA-N 1 2 244.294 1.686 20 0 BDADLO OC1(c2ccc(NCc3c[nH+]c[nH]3)cc2)COC1 ZINC000894784466 583521398 /nfs/dbraw/zinc/52/13/98/583521398.db2.gz LJDUGLORGVFEKW-UHFFFAOYSA-N 1 2 245.282 1.240 20 0 BDADLO OC1(c2ccc(NCc3c[nH]c[nH+]3)cc2)COC1 ZINC000894784466 583521400 /nfs/dbraw/zinc/52/14/00/583521400.db2.gz LJDUGLORGVFEKW-UHFFFAOYSA-N 1 2 245.282 1.240 20 0 BDADLO FC(F)C1CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894829721 583527196 /nfs/dbraw/zinc/52/71/96/583527196.db2.gz DTWVQCGZZRRENT-UHFFFAOYSA-N 1 2 227.258 1.915 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(O)C2)c2c(n1)CCCC2 ZINC000894831393 583528283 /nfs/dbraw/zinc/52/82/83/583528283.db2.gz WJIJWRIYPJUOPL-UHFFFAOYSA-N 1 2 246.354 1.835 20 0 BDADLO COCCC1(C)C[NH+](Cc2nnc(C)s2)C1 ZINC000894838566 583529304 /nfs/dbraw/zinc/52/93/04/583529304.db2.gz CLZMTHHUJUSXLF-UHFFFAOYSA-N 1 2 241.360 1.705 20 0 BDADLO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894881961 583543990 /nfs/dbraw/zinc/54/39/90/583543990.db2.gz TYTMXGZUKZZZPL-DGCLKSJQSA-N 1 2 237.347 1.619 20 0 BDADLO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894881961 583543991 /nfs/dbraw/zinc/54/39/91/583543991.db2.gz TYTMXGZUKZZZPL-DGCLKSJQSA-N 1 2 237.347 1.619 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000894917908 583555814 /nfs/dbraw/zinc/55/58/14/583555814.db2.gz SJPDWWFDIRQJSU-VHSXEESVSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1coc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000895014757 583568834 /nfs/dbraw/zinc/56/88/34/583568834.db2.gz NFDYAWLFGGDYTJ-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)c1 ZINC000895014757 583568835 /nfs/dbraw/zinc/56/88/35/583568835.db2.gz NFDYAWLFGGDYTJ-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO CCN(CC[NH2+][C@@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857851679 588912698 /nfs/dbraw/zinc/91/26/98/588912698.db2.gz FXHFJZCCVKQFHI-CYBMUJFWSA-N 1 2 248.374 1.861 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CCC[C@H]2C[C@H]21 ZINC000895077035 583581175 /nfs/dbraw/zinc/58/11/75/583581175.db2.gz FTQOQDKHMLHKLM-HBNTYKKESA-N 1 2 246.314 1.522 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccco1 ZINC000895112745 583591678 /nfs/dbraw/zinc/59/16/78/583591678.db2.gz GBIPBMDTWBSQOH-IVZWLZJFSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccco1 ZINC000895112745 583591679 /nfs/dbraw/zinc/59/16/79/583591679.db2.gz GBIPBMDTWBSQOH-IVZWLZJFSA-N 1 2 222.288 1.377 20 0 BDADLO Cc1ncc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)o1 ZINC000895122249 583596513 /nfs/dbraw/zinc/59/65/13/583596513.db2.gz SSHYOOISFGAIKW-HRDYMLBCSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1ncc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)o1 ZINC000895122249 583596515 /nfs/dbraw/zinc/59/65/15/583596515.db2.gz SSHYOOISFGAIKW-HRDYMLBCSA-N 1 2 237.303 1.080 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC000895172844 583613053 /nfs/dbraw/zinc/61/30/53/583613053.db2.gz SXBOFDPJSLMZNH-XLPZGREQSA-N 1 2 242.348 1.065 20 0 BDADLO CCONC(=O)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000895173735 583613601 /nfs/dbraw/zinc/61/36/01/583613601.db2.gz ASKFPNMEAZMNBX-UWVGGRQHSA-N 1 2 226.320 1.222 20 0 BDADLO c1[nH+]cn2ccnc(N3C[C@@H]4CSC[C@@H]4C3)c12 ZINC000895208487 583626081 /nfs/dbraw/zinc/62/60/81/583626081.db2.gz SUPWWMWBWLOWHW-AOOOYVTPSA-N 1 2 246.339 1.529 20 0 BDADLO O=C1CCCN1CCC[N@@H+]1Cc2ccncc2C1 ZINC000857875289 588918265 /nfs/dbraw/zinc/91/82/65/588918265.db2.gz JLTUGZLYPBAQGT-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO O=C1CCCN1CCC[N@H+]1Cc2ccncc2C1 ZINC000857875289 588918267 /nfs/dbraw/zinc/91/82/67/588918267.db2.gz JLTUGZLYPBAQGT-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO CC1=NO[C@@H](CNCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000895301688 583644358 /nfs/dbraw/zinc/64/43/58/583644358.db2.gz KAGKKLXRYAMSIE-SNVBAGLBSA-N 1 2 222.292 1.281 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(SC)o1 ZINC000895352372 583656701 /nfs/dbraw/zinc/65/67/01/583656701.db2.gz NTWNAVHEXBZKKY-UHFFFAOYSA-N 1 2 228.317 1.179 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(SC)o1 ZINC000895352372 583656702 /nfs/dbraw/zinc/65/67/02/583656702.db2.gz NTWNAVHEXBZKKY-UHFFFAOYSA-N 1 2 228.317 1.179 20 0 BDADLO CC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895432026 583670551 /nfs/dbraw/zinc/67/05/51/583670551.db2.gz ZNHKLWNNWFLERI-SECBINFHSA-N 1 2 223.320 1.841 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1CC[C@H]1CCOC1 ZINC000895433606 583671683 /nfs/dbraw/zinc/67/16/83/583671683.db2.gz WUSHWKJJLNMJCZ-IUCAKERBSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1CC[C@H]1CCOC1 ZINC000895433606 583671685 /nfs/dbraw/zinc/67/16/85/583671685.db2.gz WUSHWKJJLNMJCZ-IUCAKERBSA-N 1 2 205.248 1.752 20 0 BDADLO O=C(/C=C/C1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884941 588920469 /nfs/dbraw/zinc/92/04/69/588920469.db2.gz MXKYUJLBCHUCQV-FYJFLYSWSA-N 1 2 245.326 1.670 20 0 BDADLO C[N@H+](Cc1ccns1)Cc1cnn2c1CCC2 ZINC000895452822 583677359 /nfs/dbraw/zinc/67/73/59/583677359.db2.gz XWYWNMZPTHMEBC-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[N@@H+](Cc1ccns1)Cc1cnn2c1CCC2 ZINC000895452822 583677361 /nfs/dbraw/zinc/67/73/61/583677361.db2.gz XWYWNMZPTHMEBC-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCC/C=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884810 588920753 /nfs/dbraw/zinc/92/07/53/588920753.db2.gz LUTPWWTXXNWKAB-YEZKRMTDSA-N 1 2 219.288 1.280 20 0 BDADLO CCC(=CC(=O)N[C@H]1Cc2c[nH+]cn2C1)CC ZINC000857889626 588921005 /nfs/dbraw/zinc/92/10/05/588921005.db2.gz LXNKTIPGTARBEK-NSHDSACASA-N 1 2 233.315 1.670 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857889619 588921047 /nfs/dbraw/zinc/92/10/47/588921047.db2.gz LVXCIVBGFHMAHP-LWTINBJPSA-N 1 2 233.315 1.526 20 0 BDADLO O=C(C=C1CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888876 588921117 /nfs/dbraw/zinc/92/11/17/588921117.db2.gz FNINMRUJQIVSPJ-JTQLQIEISA-N 1 2 217.272 1.034 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000895507066 583681368 /nfs/dbraw/zinc/68/13/68/583681368.db2.gz KVTOONUDOGBFBL-RKDXNWHRSA-N 1 2 231.255 1.308 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000895525983 583684450 /nfs/dbraw/zinc/68/44/50/583684450.db2.gz GWYKBOJBWHLBPV-GARJFASQSA-N 1 2 248.330 1.408 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(F)CCCC1 ZINC000857887366 588921334 /nfs/dbraw/zinc/92/13/34/588921334.db2.gz PZIGCXAYUZNXMR-SECBINFHSA-N 1 2 237.278 1.206 20 0 BDADLO C/C(=C/C(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886672 588921462 /nfs/dbraw/zinc/92/14/62/588921462.db2.gz HLYQFFNAJQRKCA-SDKXAQGSSA-N 1 2 247.342 1.916 20 0 BDADLO CCn1cc(C[NH+]2CC(c3ccccc3)C2)nn1 ZINC000895694667 583708537 /nfs/dbraw/zinc/70/85/37/583708537.db2.gz YLKLZXHIGZRNLL-UHFFFAOYSA-N 1 2 242.326 1.897 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ncc[nH]2)c1C1CC1 ZINC000895705130 583710062 /nfs/dbraw/zinc/71/00/62/583710062.db2.gz VXKXIBAXOJBUEB-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO Cc1cc(F)ncc1C[NH2+]Cc1ncc[nH]1 ZINC000895704773 583710372 /nfs/dbraw/zinc/71/03/72/583710372.db2.gz QHPZAIADJRDFME-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@H]2C)c[nH+]1 ZINC000895722540 583712453 /nfs/dbraw/zinc/71/24/53/583712453.db2.gz JARUXIYCNLXPJI-MWLCHTKSSA-N 1 2 235.331 1.699 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942574 588924481 /nfs/dbraw/zinc/92/44/81/588924481.db2.gz XPIDWXMOFMQJNU-SNVBAGLBSA-N 1 2 219.288 1.280 20 0 BDADLO Cc1cc(N2CCO[C@@H](C)CC2)nc[nH+]1 ZINC000895757804 583721252 /nfs/dbraw/zinc/72/12/52/583721252.db2.gz FUDHEDOSHMCSIH-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCOC1=O ZINC000895803639 583731328 /nfs/dbraw/zinc/73/13/28/583731328.db2.gz JJESILTZQJENSS-KOLCDFICSA-N 1 2 239.340 1.974 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000895803425 583731335 /nfs/dbraw/zinc/73/13/35/583731335.db2.gz COBHTUJNHHGSRV-BPCQOVAHSA-N 1 2 231.295 1.838 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC=CO1 ZINC000857947864 588925040 /nfs/dbraw/zinc/92/50/40/588925040.db2.gz DQLKUENICIUIOH-PWSUYJOCSA-N 1 2 247.298 1.007 20 0 BDADLO C[C@H](CCc1cccnc1)[NH2+][C@H]1CCOC1=O ZINC000895808301 583732969 /nfs/dbraw/zinc/73/29/69/583732969.db2.gz KWTGIRPNDQVRSB-PWSUYJOCSA-N 1 2 234.299 1.308 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1(F)F ZINC000857976394 588925357 /nfs/dbraw/zinc/92/53/57/588925357.db2.gz CWWLETJLRMFUBC-OIBJUYFYSA-N 1 2 241.241 1.489 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(C(F)F)CC1 ZINC000857976412 588925421 /nfs/dbraw/zinc/92/54/21/588925421.db2.gz DGJJWVZLYKBBSJ-ZETCQYMHSA-N 1 2 241.241 1.489 20 0 BDADLO CCc1nc(N[C@H]2CCCN(CC)C2=O)cc[nH+]1 ZINC000895900290 583741731 /nfs/dbraw/zinc/74/17/31/583741731.db2.gz ZSTMOQMNQNYHRR-JTQLQIEISA-N 1 2 248.330 1.462 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@H]1CCn2c[nH+]cc21 ZINC000857976687 588926025 /nfs/dbraw/zinc/92/60/25/588926025.db2.gz KCYJIKXQQJXNAQ-RHYQMDGZSA-N 1 2 245.326 1.880 20 0 BDADLO CCO[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857976005 588926210 /nfs/dbraw/zinc/92/62/10/588926210.db2.gz VHELKVNSNIOJRE-JQWIXIFHSA-N 1 2 249.314 1.259 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccncc2)C1 ZINC000895951923 583751601 /nfs/dbraw/zinc/75/16/01/583751601.db2.gz IWHNIVWOSQMUNK-UHFFFAOYSA-N 1 2 206.289 1.691 20 0 BDADLO CC(C)OC1C[NH+](Cc2cnn3c2CCC3)C1 ZINC000895956591 583752724 /nfs/dbraw/zinc/75/27/24/583752724.db2.gz OQAFHMOCEBOYJK-UHFFFAOYSA-N 1 2 235.331 1.439 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)Cc2ccsc2)CCO1 ZINC000895968912 583755158 /nfs/dbraw/zinc/75/51/58/583755158.db2.gz UZCZPWAEGMBBNX-JQWIXIFHSA-N 1 2 241.356 1.984 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)Cc2ccsc2)CCO1 ZINC000895968912 583755159 /nfs/dbraw/zinc/75/51/59/583755159.db2.gz UZCZPWAEGMBBNX-JQWIXIFHSA-N 1 2 241.356 1.984 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@@H]2CCn3c[nH+]cc32)[nH]1 ZINC000857977084 588926699 /nfs/dbraw/zinc/92/66/99/588926699.db2.gz RPWAVIDFRAYVOU-SECBINFHSA-N 1 2 245.286 1.098 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978429 588926731 /nfs/dbraw/zinc/92/67/31/588926731.db2.gz NWADSBHVNJKNKM-LLVKDONJSA-N 1 2 244.298 1.648 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CC12CC2 ZINC000857977146 588926908 /nfs/dbraw/zinc/92/69/08/588926908.db2.gz SIEVRINHZLHOFV-RKDXNWHRSA-N 1 2 217.272 1.244 20 0 BDADLO Cc1cc(CCNc2cc(CO)cc[nH+]2)nn1C ZINC000896024011 583762612 /nfs/dbraw/zinc/76/26/12/583762612.db2.gz UJOPEELMBRBKNW-UHFFFAOYSA-N 1 2 246.314 1.270 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1C ZINC000896089270 583769247 /nfs/dbraw/zinc/76/92/47/583769247.db2.gz PPPWBYUTHCGDCP-WOPDTQHZSA-N 1 2 249.314 1.309 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1CC(F)(F)C1 ZINC000857982481 588928039 /nfs/dbraw/zinc/92/80/39/588928039.db2.gz JDERSINBRHYXMS-MRVPVSSYSA-N 1 2 241.241 1.489 20 0 BDADLO CO[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(C)C ZINC000857981399 588928165 /nfs/dbraw/zinc/92/81/65/588928165.db2.gz CSROPUHOZJJNLV-ONGXEEELSA-N 1 2 237.303 1.115 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]2C)c[nH+]1 ZINC000896132322 583774330 /nfs/dbraw/zinc/77/43/30/583774330.db2.gz HORMHHRTQYUPMJ-PSASIEDQSA-N 1 2 221.304 1.451 20 0 BDADLO O=C1C[C@H](CCNc2cc[nH+]c(C3CC3)n2)CN1 ZINC000896141422 583774413 /nfs/dbraw/zinc/77/44/13/583774413.db2.gz PIJXYPVNNJUFML-VIFPVBQESA-N 1 2 246.314 1.292 20 0 BDADLO Cc1nc(NCC2CC3(C2)OCCO3)cc[nH+]1 ZINC000896159852 583777116 /nfs/dbraw/zinc/77/71/16/583777116.db2.gz PRWXHEXUHWQNMY-UHFFFAOYSA-N 1 2 235.287 1.350 20 0 BDADLO CNc1cc(NC[C@@]2(C)CCCCO2)[nH+]cn1 ZINC000896182681 583778800 /nfs/dbraw/zinc/77/88/00/583778800.db2.gz SGZFXGDXXZGQEC-GFCCVEGCSA-N 1 2 236.319 1.889 20 0 BDADLO CNc1cc(NC[C@]2(C)CCCCO2)[nH+]cn1 ZINC000896182683 583778892 /nfs/dbraw/zinc/77/88/92/583778892.db2.gz SGZFXGDXXZGQEC-LBPRGKRZSA-N 1 2 236.319 1.889 20 0 BDADLO Cc1ncccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984429 588928660 /nfs/dbraw/zinc/92/86/60/588928660.db2.gz AWHZNMNNDSJDBC-NSHDSACASA-N 1 2 242.282 1.461 20 0 BDADLO CCC[C@@H](O)CCNc1cc(C)[nH+]cn1 ZINC000896183990 583779577 /nfs/dbraw/zinc/77/95/77/583779577.db2.gz RRSCVIAATDSLEL-SNVBAGLBSA-N 1 2 209.293 1.748 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983263 588928836 /nfs/dbraw/zinc/92/88/36/588928836.db2.gz YSIIJTJDHJRJIM-DCAQKATOSA-N 1 2 233.315 1.736 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987637 588929069 /nfs/dbraw/zinc/92/90/69/588929069.db2.gz XJWOMQAPYDBLLV-JTQLQIEISA-N 1 2 219.288 1.800 20 0 BDADLO CCCCOCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986142 588929083 /nfs/dbraw/zinc/92/90/83/588929083.db2.gz MLFSWBWQAZZBLI-JTQLQIEISA-N 1 2 237.303 1.261 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3cn[nH]c3C)C2)no1 ZINC000896238826 583785583 /nfs/dbraw/zinc/78/55/83/583785583.db2.gz GLYAHMRWSQFKJR-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3cn[nH]c3C)C2)no1 ZINC000896238826 583785585 /nfs/dbraw/zinc/78/55/85/583785585.db2.gz GLYAHMRWSQFKJR-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc(N[C@@H]2CCS[C@@H](C)C2)nc(N)[nH+]1 ZINC000896250581 583786140 /nfs/dbraw/zinc/78/61/40/583786140.db2.gz SJFQGRCSISWERU-POYBYMJQSA-N 1 2 239.348 1.458 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCS[C@@H](C)C2)[nH+]1 ZINC000896250581 583786141 /nfs/dbraw/zinc/78/61/41/583786141.db2.gz SJFQGRCSISWERU-POYBYMJQSA-N 1 2 239.348 1.458 20 0 BDADLO CCc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000896260944 583786242 /nfs/dbraw/zinc/78/62/42/583786242.db2.gz RSBHYHMXQNPDKI-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2CCC2)[nH]n1 ZINC000896251770 583786660 /nfs/dbraw/zinc/78/66/60/583786660.db2.gz QWNSOJASPRWXIV-LBPRGKRZSA-N 1 2 248.330 1.459 20 0 BDADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2CCC2)[nH]n1 ZINC000896251770 583786662 /nfs/dbraw/zinc/78/66/62/583786662.db2.gz QWNSOJASPRWXIV-LBPRGKRZSA-N 1 2 248.330 1.459 20 0 BDADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2CCC2)n[nH]1 ZINC000896251770 583786664 /nfs/dbraw/zinc/78/66/64/583786664.db2.gz QWNSOJASPRWXIV-LBPRGKRZSA-N 1 2 248.330 1.459 20 0 BDADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2CCC2)n[nH]1 ZINC000896251770 583786665 /nfs/dbraw/zinc/78/66/65/583786665.db2.gz QWNSOJASPRWXIV-LBPRGKRZSA-N 1 2 248.330 1.459 20 0 BDADLO Cc1ccncc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985376 588929537 /nfs/dbraw/zinc/92/95/37/588929537.db2.gz HKARPPVSWNKLGT-LLVKDONJSA-N 1 2 242.282 1.461 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H](O)C(C)C)CCN2 ZINC000858000393 588930558 /nfs/dbraw/zinc/93/05/58/588930558.db2.gz HAWOTSUWZDZTQJ-NSHDSACASA-N 1 2 249.314 1.165 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1=COCCC1 ZINC000857943253 588924546 /nfs/dbraw/zinc/92/45/46/588924546.db2.gz DFNKHKPWLQZJLL-LLVKDONJSA-N 1 2 247.298 1.008 20 0 BDADLO CC[NH+](CC)Cc1nc([C@H](COC)OC)no1 ZINC000896654230 583821365 /nfs/dbraw/zinc/82/13/65/583821365.db2.gz UPNFUMBZQLZLGQ-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCn2cccc2C1 ZINC000896760742 583831088 /nfs/dbraw/zinc/83/10/88/583831088.db2.gz FRIMMGUVNHAUCG-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCn2cccc2C1 ZINC000896760742 583831090 /nfs/dbraw/zinc/83/10/90/583831090.db2.gz FRIMMGUVNHAUCG-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCc2ccon2)c[nH+]1 ZINC000896827513 583836901 /nfs/dbraw/zinc/83/69/01/583836901.db2.gz NSDDEHOTAONPQF-UHFFFAOYSA-N 1 2 248.286 1.231 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cc[nH]c2C)[nH+]c1C ZINC000896917239 583855380 /nfs/dbraw/zinc/85/53/80/583855380.db2.gz SXCJZAMJIYPTGC-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H](C)C(C)C)[nH+]c1C ZINC000896919006 583855910 /nfs/dbraw/zinc/85/59/10/583855910.db2.gz IMCRQBXANWJKAU-MRVPVSSYSA-N 1 2 223.320 1.935 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000896926979 583858786 /nfs/dbraw/zinc/85/87/86/583858786.db2.gz MSUSMNJOQLCHNY-YYJSSNLHSA-N 1 2 240.347 1.468 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccco2)[nH+]c1C ZINC000896929720 583860042 /nfs/dbraw/zinc/86/00/42/583860042.db2.gz MHQQVGXDJPBFEQ-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000896926681 583860070 /nfs/dbraw/zinc/86/00/70/583860070.db2.gz KDSANVPCYWDMNA-SNVBAGLBSA-N 1 2 226.320 1.367 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858183399 588937593 /nfs/dbraw/zinc/93/75/93/588937593.db2.gz DPIHJZHZGKZWKQ-LSJOCFKGSA-N 1 2 226.320 1.078 20 0 BDADLO Cc1nc(NC2CC3(C2)CO[C@@H](C)C3)nc(N)[nH+]1 ZINC000897047257 583873627 /nfs/dbraw/zinc/87/36/27/583873627.db2.gz ZCRNZMPWXHXYLF-SKSLGRHYSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC2CC3(C2)CO[C@@H](C)C3)[nH+]1 ZINC000897047257 583873628 /nfs/dbraw/zinc/87/36/28/583873628.db2.gz ZCRNZMPWXHXYLF-SKSLGRHYSA-N 1 2 249.318 1.132 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897072652 583875675 /nfs/dbraw/zinc/87/56/75/583875675.db2.gz XVJPVDGROLIVSE-ULHKAFAUSA-N 1 2 247.298 1.381 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CC23CC(O)C3)[nH+]1 ZINC000897087448 583878406 /nfs/dbraw/zinc/87/84/06/583878406.db2.gz NKALNRNTPJKSPG-UPLNTUIUSA-N 1 2 234.299 1.460 20 0 BDADLO CC(C)c1nc(N2CC[C@H]2CO)cc[nH+]1 ZINC000897119752 583882431 /nfs/dbraw/zinc/88/24/31/583882431.db2.gz HZIOYRVGFSVRSC-VIFPVBQESA-N 1 2 207.277 1.171 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1cc[nH+]c(C)n1 ZINC000897147300 583886113 /nfs/dbraw/zinc/88/61/13/583886113.db2.gz JUSZLAWPGNRNFP-ZJUUUORDSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1nnc(CNc2cc(C)[nH+]c(C3CC3)n2)[nH]1 ZINC000897208783 583894685 /nfs/dbraw/zinc/89/46/85/583894685.db2.gz DNYBOYCQDMRTDR-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccco1 ZINC000728545178 583896521 /nfs/dbraw/zinc/89/65/21/583896521.db2.gz QKQNZDBNFZGJEF-PLNGDYQASA-N 1 2 231.255 1.343 20 0 BDADLO CN(C)c1cc(NC2CC(CCO)C2)[nH+]cn1 ZINC000897236719 583899956 /nfs/dbraw/zinc/89/99/56/583899956.db2.gz RUBYWYLZODQDJP-UHFFFAOYSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC2CC(CCO)C2)nc[nH+]1 ZINC000897236719 583899959 /nfs/dbraw/zinc/89/99/59/583899959.db2.gz RUBYWYLZODQDJP-UHFFFAOYSA-N 1 2 236.319 1.116 20 0 BDADLO c1[nH+]cn2ccnc(N3C[C@@H]4CCC[C@@H]4C3)c12 ZINC000897295840 583911191 /nfs/dbraw/zinc/91/11/91/583911191.db2.gz NIRGUEJHLPKSIB-PHIMTYICSA-N 1 2 228.299 1.966 20 0 BDADLO COCC1CN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000888131689 583968705 /nfs/dbraw/zinc/96/87/05/583968705.db2.gz WBMFRVGHOUZFGJ-UHFFFAOYSA-N 1 2 249.314 1.809 20 0 BDADLO CC(C)=CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000729247962 583979277 /nfs/dbraw/zinc/97/92/77/583979277.db2.gz WAYAWPDXLKAFCP-UHFFFAOYSA-N 1 2 232.283 1.637 20 0 BDADLO COc1cc(NCc2cn(C)c[nH+]2)cnc1OC ZINC000858235848 588939999 /nfs/dbraw/zinc/93/99/99/588939999.db2.gz ZMYXBTPPRVNACS-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889590065 583990533 /nfs/dbraw/zinc/99/05/33/583990533.db2.gz GXBOJGYRQCPNGA-FRRDWIJNSA-N 1 2 247.342 1.968 20 0 BDADLO CCC/C=C/C(=O)N(C)CC[NH+]1CCOCC1 ZINC000729364934 583994903 /nfs/dbraw/zinc/99/49/03/583994903.db2.gz KIXDAWGZLMEZDI-AATRIKPKSA-N 1 2 240.347 1.133 20 0 BDADLO CCC/C=C/C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729385137 583996760 /nfs/dbraw/zinc/99/67/60/583996760.db2.gz OQKWYQPYAAONLW-FYJFLYSWSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C/C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729385137 583996763 /nfs/dbraw/zinc/99/67/63/583996763.db2.gz OQKWYQPYAAONLW-FYJFLYSWSA-N 1 2 240.347 1.180 20 0 BDADLO OC1(C2(C[NH2+]Cc3ccn[nH]3)CC2)CCC1 ZINC000897530229 584006764 /nfs/dbraw/zinc/00/67/64/584006764.db2.gz CLVLURXKELQIGX-UHFFFAOYSA-N 1 2 221.304 1.195 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@H](CC(C)C)OC ZINC000842035817 584022168 /nfs/dbraw/zinc/02/21/68/584022168.db2.gz FBYOEUBTEHKYRK-ZJUUUORDSA-N 1 2 232.324 1.581 20 0 BDADLO Fc1nccnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000858390581 588951096 /nfs/dbraw/zinc/95/10/96/588951096.db2.gz JUJWJOFXUCYJFZ-SNVBAGLBSA-N 1 2 247.277 1.654 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(F)ccc(O)c2F)C[C@H]1O ZINC000897681147 584039170 /nfs/dbraw/zinc/03/91/70/584039170.db2.gz PNQXTDBMLBHLOW-RDDDGLTNSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)C[C@H]1O ZINC000897681147 584039171 /nfs/dbraw/zinc/03/91/71/584039171.db2.gz PNQXTDBMLBHLOW-RDDDGLTNSA-N 1 2 243.253 1.483 20 0 BDADLO CCc1nc(N[C@@H](C)CC(=O)OC)cc[nH+]1 ZINC000897673679 584040027 /nfs/dbraw/zinc/04/00/27/584040027.db2.gz QXGZSLZWNZUXAF-QMMMGPOBSA-N 1 2 223.276 1.403 20 0 BDADLO O=C1NCCC2(C[NH+](Cc3ccsc3)C2)O1 ZINC000897752599 584044027 /nfs/dbraw/zinc/04/40/27/584044027.db2.gz JSPYCWDOWSTJBL-UHFFFAOYSA-N 1 2 238.312 1.432 20 0 BDADLO Cc1ccncc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897784681 584048066 /nfs/dbraw/zinc/04/80/66/584048066.db2.gz YCFPFJCFXVFTFX-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ncccc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897786016 584048081 /nfs/dbraw/zinc/04/80/81/584048081.db2.gz GOOPPKFXDKHYSK-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1occc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897784594 584048353 /nfs/dbraw/zinc/04/83/53/584048353.db2.gz FRVDIZSSYYENLF-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](OC)[C@@H](C)CC)C(=O)OC ZINC000897834272 584052962 /nfs/dbraw/zinc/05/29/62/584052962.db2.gz LFJRUVJQJFWZHI-TUAOUCFPSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1noc(C2([NH2+]Cc3ccc(=O)[nH]c3)CC2)n1 ZINC000897895580 584058702 /nfs/dbraw/zinc/05/87/02/584058702.db2.gz CDZALHCIYXBGHL-UHFFFAOYSA-N 1 2 246.270 1.258 20 0 BDADLO CCc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)no1 ZINC000897908063 584060055 /nfs/dbraw/zinc/06/00/55/584060055.db2.gz FSHZLYVFJYZUQG-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO Cc1coc(C[NH2+]Cc2cn(C)cn2)c1 ZINC000898042213 584080294 /nfs/dbraw/zinc/08/02/94/584080294.db2.gz LSLVROMWLSHENW-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO O[C@H]1CCN(Cc2[nH+]ccn2C2CC2)C[C@@H]1F ZINC000898183424 584092915 /nfs/dbraw/zinc/09/29/15/584092915.db2.gz JJZNIUDFDNXCQK-QWRGUYRKSA-N 1 2 239.294 1.123 20 0 BDADLO COc1ccsc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898186049 584092999 /nfs/dbraw/zinc/09/29/99/584092999.db2.gz AIYMIJNBANQNQN-DTWKUNHWSA-N 1 2 245.319 1.661 20 0 BDADLO COc1ccsc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898186049 584093001 /nfs/dbraw/zinc/09/30/01/584093001.db2.gz AIYMIJNBANQNQN-DTWKUNHWSA-N 1 2 245.319 1.661 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898182840 584093486 /nfs/dbraw/zinc/09/34/86/584093486.db2.gz GRFXJMJABHEOGD-UWVGGRQHSA-N 1 2 229.251 1.193 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898182840 584093487 /nfs/dbraw/zinc/09/34/87/584093487.db2.gz GRFXJMJABHEOGD-UWVGGRQHSA-N 1 2 229.251 1.193 20 0 BDADLO COc1ccccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898192328 584095804 /nfs/dbraw/zinc/09/58/04/584095804.db2.gz DNRBCIXGXOULOW-NEPJUHHUSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898192328 584095805 /nfs/dbraw/zinc/09/58/05/584095805.db2.gz DNRBCIXGXOULOW-NEPJUHHUSA-N 1 2 239.290 1.600 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898194804 584096216 /nfs/dbraw/zinc/09/62/16/584096216.db2.gz PALVBYWGCJDZPV-RYUDHWBXSA-N 1 2 225.263 1.297 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898194804 584096218 /nfs/dbraw/zinc/09/62/18/584096218.db2.gz PALVBYWGCJDZPV-RYUDHWBXSA-N 1 2 225.263 1.297 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000898256984 584106447 /nfs/dbraw/zinc/10/64/47/584106447.db2.gz KYDWPBXDZQKGEN-GMTAPVOTSA-N 1 2 248.330 1.740 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898483174 584139585 /nfs/dbraw/zinc/13/95/85/584139585.db2.gz INUXFRMIYKZWEU-MXWKQRLJSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898483174 584139587 /nfs/dbraw/zinc/13/95/87/584139587.db2.gz INUXFRMIYKZWEU-MXWKQRLJSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)C1CC1 ZINC000898494194 584139967 /nfs/dbraw/zinc/13/99/67/584139967.db2.gz HNVZNTRZHKUOBP-CMPLNLGQSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)C1CC1 ZINC000898494194 584139968 /nfs/dbraw/zinc/13/99/68/584139968.db2.gz HNVZNTRZHKUOBP-CMPLNLGQSA-N 1 2 242.338 1.583 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898489529 584140346 /nfs/dbraw/zinc/14/03/46/584140346.db2.gz DGLDBLAYXUQVGR-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898489529 584140347 /nfs/dbraw/zinc/14/03/47/584140347.db2.gz DGLDBLAYXUQVGR-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO Cc1cnc(F)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000898579728 584144109 /nfs/dbraw/zinc/14/41/09/584144109.db2.gz VJGQBAODXJHPCE-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO Cc1cnc(F)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000898579728 584144111 /nfs/dbraw/zinc/14/41/11/584144111.db2.gz VJGQBAODXJHPCE-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@]2(C)CC2(C)C)c1 ZINC000898616144 584145820 /nfs/dbraw/zinc/14/58/20/584145820.db2.gz PIBVYCVKKSDADK-LBPRGKRZSA-N 1 2 236.319 1.408 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCCCC2)c1 ZINC000898612245 584146714 /nfs/dbraw/zinc/14/67/14/584146714.db2.gz JATNDJIWQDJZCY-UHFFFAOYSA-N 1 2 222.292 1.116 20 0 BDADLO CCCC(C)(C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898629247 584147086 /nfs/dbraw/zinc/14/70/86/584147086.db2.gz DJBYYYQQPBVOID-UHFFFAOYSA-N 1 2 238.335 1.798 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC(C)(C)C2)c1 ZINC000898627658 584147357 /nfs/dbraw/zinc/14/73/57/584147357.db2.gz ONUZGXJOWVWLPH-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO CCC1(NC(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898620499 584147646 /nfs/dbraw/zinc/14/76/46/584147646.db2.gz ZOTJPKAAZVVVMU-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CC[C@@H]2C2CC2)c1 ZINC000898619422 584147881 /nfs/dbraw/zinc/14/78/81/584147881.db2.gz JMJZIWTWOJQAHM-LLVKDONJSA-N 1 2 234.303 1.114 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)[C@H](C)O1 ZINC000898810020 584159988 /nfs/dbraw/zinc/15/99/88/584159988.db2.gz HALSNTGJUMSRDQ-RCWTZXSCSA-N 1 2 249.314 1.258 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898809971 584160326 /nfs/dbraw/zinc/16/03/26/584160326.db2.gz GERGHSNGLDPDIE-DGORSVRFSA-N 1 2 245.326 1.736 20 0 BDADLO CCCCCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883543 584164026 /nfs/dbraw/zinc/16/40/26/584164026.db2.gz LDIMRVGVKJYEGC-JTQLQIEISA-N 1 2 239.319 1.150 20 0 BDADLO Cc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)o1 ZINC000898893212 584164881 /nfs/dbraw/zinc/16/48/81/584164881.db2.gz DOFMKLVNPASMOW-UHFFFAOYSA-N 1 2 247.298 1.950 20 0 BDADLO CC(C)(CNC(=O)C1(C)CCC1)n1cc[nH+]c1 ZINC000898904088 584165070 /nfs/dbraw/zinc/16/50/70/584165070.db2.gz RDRVJXZLFKKCEF-UHFFFAOYSA-N 1 2 235.331 1.925 20 0 BDADLO CCO[C@@H](C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899005 584165098 /nfs/dbraw/zinc/16/50/98/584165098.db2.gz BCUCTBKAPZQKML-JTQLQIEISA-N 1 2 239.319 1.159 20 0 BDADLO CCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898893365 584165137 /nfs/dbraw/zinc/16/51/37/584165137.db2.gz HYYUSULLKFEGHR-UHFFFAOYSA-N 1 2 223.320 1.925 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898897064 584165282 /nfs/dbraw/zinc/16/52/82/584165282.db2.gz ZXAVIROWZGHWIF-VHSXEESVSA-N 1 2 239.319 1.006 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C)(C)n2cccn2)c[nH+]1 ZINC000898920419 584165926 /nfs/dbraw/zinc/16/59/26/584165926.db2.gz YULQTRFNZQPMCQ-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]2C)c[nH+]1 ZINC000899199103 584180009 /nfs/dbraw/zinc/18/00/09/584180009.db2.gz BAYAHLYSEVYHPR-SNVBAGLBSA-N 1 2 221.304 1.547 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000899405339 584212748 /nfs/dbraw/zinc/21/27/48/584212748.db2.gz ITCKYROMPKQHKB-VCDKRKBESA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000899405339 584212751 /nfs/dbraw/zinc/21/27/51/584212751.db2.gz ITCKYROMPKQHKB-VCDKRKBESA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000899405337 584212878 /nfs/dbraw/zinc/21/28/78/584212878.db2.gz ITCKYROMPKQHKB-RSLMWUCJSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000899405337 584212879 /nfs/dbraw/zinc/21/28/79/584212879.db2.gz ITCKYROMPKQHKB-RSLMWUCJSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000899408928 584213254 /nfs/dbraw/zinc/21/32/54/584213254.db2.gz UESPNIAIBXRUDJ-WYUUTHIRSA-N 1 2 247.342 1.751 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CCC=CCC1 ZINC000899804703 584240119 /nfs/dbraw/zinc/24/01/19/584240119.db2.gz WSLRPUBIPBWALV-UHFFFAOYSA-N 1 2 233.315 1.578 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C2CC2)CCC1 ZINC000899823588 584240276 /nfs/dbraw/zinc/24/02/76/584240276.db2.gz DIALTIBUVKQZBF-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO CCCCNC(=O)CNc1cccc[nH+]1 ZINC000899917852 584251769 /nfs/dbraw/zinc/25/17/69/584251769.db2.gz QZFHWJQTUXNQLK-UHFFFAOYSA-N 1 2 207.277 1.410 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900203893 584285678 /nfs/dbraw/zinc/28/56/78/584285678.db2.gz NMWJQPGXDATOIA-VHSXEESVSA-N 1 2 219.288 1.266 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900417950 584306435 /nfs/dbraw/zinc/30/64/35/584306435.db2.gz SFXIEQVFHVUXJG-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@@H](O)[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000900455354 584313219 /nfs/dbraw/zinc/31/32/19/584313219.db2.gz RMLKMEAAWPBWGO-WCBMZHEXSA-N 1 2 238.287 1.436 20 0 BDADLO CCCC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900445282 584315577 /nfs/dbraw/zinc/31/55/77/584315577.db2.gz FJRFKKHDFAQRTQ-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CCCC(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900445282 584315578 /nfs/dbraw/zinc/31/55/78/584315578.db2.gz FJRFKKHDFAQRTQ-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(COC(N)=O)nn1 ZINC000900545214 584325367 /nfs/dbraw/zinc/32/53/67/584325367.db2.gz SWVJXHIOJIYZGX-UHFFFAOYSA-N 1 2 247.258 1.039 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)n[nH]1 ZINC000900567061 584326186 /nfs/dbraw/zinc/32/61/86/584326186.db2.gz VVQCWCSNSSELJC-VHSXEESVSA-N 1 2 249.318 1.069 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)n[nH]1 ZINC000900567061 584326187 /nfs/dbraw/zinc/32/61/87/584326187.db2.gz VVQCWCSNSSELJC-VHSXEESVSA-N 1 2 249.318 1.069 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(CC(F)F)C1CC1 ZINC000900610126 584331304 /nfs/dbraw/zinc/33/13/04/584331304.db2.gz GXYFRIBFXYVZML-UHFFFAOYSA-N 1 2 229.230 1.208 20 0 BDADLO O=C(CCF)NCCCCNc1cccc[nH+]1 ZINC000900586027 584331879 /nfs/dbraw/zinc/33/18/79/584331879.db2.gz HIMHXIOCHSBELA-UHFFFAOYSA-N 1 2 239.294 1.750 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900619679 584332781 /nfs/dbraw/zinc/33/27/81/584332781.db2.gz VKOADKZWOTUTRR-FJOGCWAESA-N 1 2 234.299 1.468 20 0 BDADLO COCc1cn(Cc2cc(C)cc(C)[nH+]2)nn1 ZINC000900621725 584332800 /nfs/dbraw/zinc/33/28/00/584332800.db2.gz LKUBMTKVQSWZRW-UHFFFAOYSA-N 1 2 232.287 1.485 20 0 BDADLO CC[C@H](C)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900655176 584336233 /nfs/dbraw/zinc/33/62/33/584336233.db2.gz IIAISROHVRCVAB-NSHDSACASA-N 1 2 235.331 1.998 20 0 BDADLO CCc1nnc(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000900672629 584339615 /nfs/dbraw/zinc/33/96/15/584339615.db2.gz ORJQABNZSCOISA-UHFFFAOYSA-N 1 2 248.311 1.478 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900672631 584339881 /nfs/dbraw/zinc/33/98/81/584339881.db2.gz OSIJAJFCNUXVJS-FJOGCWAESA-N 1 2 234.299 1.468 20 0 BDADLO CC[C@@H](O)[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900673244 584339919 /nfs/dbraw/zinc/33/99/19/584339919.db2.gz RNSXHVRRJZSOPG-GXSJLCMTSA-N 1 2 222.288 1.157 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900832385 584355004 /nfs/dbraw/zinc/35/50/04/584355004.db2.gz WKNMIKMCBSQSHG-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO COc1ncc(CCNc2cc[nH+]c(C)n2)cn1 ZINC000858820639 588977647 /nfs/dbraw/zinc/97/76/47/588977647.db2.gz BUUVDAPLAHEQDY-UHFFFAOYSA-N 1 2 245.286 1.238 20 0 BDADLO C[C@]1(CNC(=O)CNc2cccc[nH+]2)CCCO1 ZINC000901005462 584373838 /nfs/dbraw/zinc/37/38/38/584373838.db2.gz FAGVACKZCLVIJE-CYBMUJFWSA-N 1 2 249.314 1.179 20 0 BDADLO CCCC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000901049635 584378637 /nfs/dbraw/zinc/37/86/37/584378637.db2.gz YFUHBZRCHQGPQL-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCCC1(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901049635 584378639 /nfs/dbraw/zinc/37/86/39/584378639.db2.gz YFUHBZRCHQGPQL-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(CC(F)(F)F)C1 ZINC000901053112 584379167 /nfs/dbraw/zinc/37/91/67/584379167.db2.gz JTZDRIGYBIVACL-UHFFFAOYSA-N 1 2 247.220 1.363 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)CNc1cccc[nH+]1 ZINC000901115956 584385683 /nfs/dbraw/zinc/38/56/83/584385683.db2.gz SXYYAYVANQSESQ-SNVBAGLBSA-N 1 2 237.303 1.682 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(C(F)F)CC1 ZINC000901111015 584386173 /nfs/dbraw/zinc/38/61/73/584386173.db2.gz WFZGAEOAWADGIX-UHFFFAOYSA-N 1 2 243.257 1.456 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC(F)(F)C2 ZINC000901160898 584393896 /nfs/dbraw/zinc/39/38/96/584393896.db2.gz KRHIXPLFQACRQQ-UHFFFAOYSA-N 1 2 241.241 1.210 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC2(CC(F)C2)C1 ZINC000901192119 584396827 /nfs/dbraw/zinc/39/68/27/584396827.db2.gz GJNGCKKHDUQFCN-UHFFFAOYSA-N 1 2 249.289 1.454 20 0 BDADLO CC1=CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901203826 584399392 /nfs/dbraw/zinc/39/93/92/584399392.db2.gz DOGGUJHQJJTJJO-UHFFFAOYSA-N 1 2 205.261 1.131 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC(=O)C2CC2)c[nH+]1 ZINC000901307364 584420249 /nfs/dbraw/zinc/42/02/49/584420249.db2.gz OKEMEDFICBMQFE-UHFFFAOYSA-N 1 2 249.314 1.022 20 0 BDADLO CC1(C)CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000901287841 584422170 /nfs/dbraw/zinc/42/21/70/584422170.db2.gz PKONCPCUIAYFDU-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901287841 584422172 /nfs/dbraw/zinc/42/21/72/584422172.db2.gz PKONCPCUIAYFDU-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CC[N@H+](CCC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000901605262 584468937 /nfs/dbraw/zinc/46/89/37/584468937.db2.gz QJIDSZXFXTUPKR-UHFFFAOYSA-N 1 2 247.298 1.631 20 0 BDADLO CC[N@@H+](CCC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000901605262 584468938 /nfs/dbraw/zinc/46/89/38/584468938.db2.gz QJIDSZXFXTUPKR-UHFFFAOYSA-N 1 2 247.298 1.631 20 0 BDADLO CCCOC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000858949336 588986806 /nfs/dbraw/zinc/98/68/06/588986806.db2.gz NOBYBOQDMHNASN-MNOVXSKESA-N 1 2 244.335 1.232 20 0 BDADLO CCCOC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858949335 588986825 /nfs/dbraw/zinc/98/68/25/588986825.db2.gz NOBYBOQDMHNASN-GHMZBOCLSA-N 1 2 244.335 1.232 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccccc1NC ZINC000902068042 584519067 /nfs/dbraw/zinc/51/90/67/584519067.db2.gz OKCILVAUTUHZQT-UHFFFAOYSA-N 1 2 245.330 1.630 20 0 BDADLO c1cn(C2CC2)c(CNc2cnccn2)[nH+]1 ZINC000902077542 584520754 /nfs/dbraw/zinc/52/07/54/584520754.db2.gz ZGFJXZQJGKFXKL-UHFFFAOYSA-N 1 2 215.260 1.620 20 0 BDADLO O=C1OCCN1C[N@@H+]1CCOc2ccccc2C1 ZINC000902064744 584522649 /nfs/dbraw/zinc/52/26/49/584522649.db2.gz LZDVCYVKOVCLOA-UHFFFAOYSA-N 1 2 248.282 1.291 20 0 BDADLO O=C1OCCN1C[N@H+]1CCOc2ccccc2C1 ZINC000902064744 584522651 /nfs/dbraw/zinc/52/26/51/584522651.db2.gz LZDVCYVKOVCLOA-UHFFFAOYSA-N 1 2 248.282 1.291 20 0 BDADLO CCn1c[nH+]c(CNCc2cc(C)on2)c1 ZINC000902104254 584523705 /nfs/dbraw/zinc/52/37/05/584523705.db2.gz NSFMOFXQBFHCTF-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ccoc2)c1 ZINC000902089949 584524424 /nfs/dbraw/zinc/52/44/24/584524424.db2.gz JQDBSKZGCRZMHL-UHFFFAOYSA-N 1 2 205.261 1.786 20 0 BDADLO CCn1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1=O ZINC000902119397 584528172 /nfs/dbraw/zinc/52/81/72/584528172.db2.gz NPOGVIPHWODHMR-UHFFFAOYSA-N 1 2 246.314 1.820 20 0 BDADLO Cc1nc(NCc2cn(C)nc2Cl)cc[nH+]1 ZINC000902127151 584528931 /nfs/dbraw/zinc/52/89/31/584528931.db2.gz MUZJUHBYVWDKMV-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO Cc1cc(NCc2cnn3c2CCC3)nc[nH+]1 ZINC000902195024 584536825 /nfs/dbraw/zinc/53/68/25/584536825.db2.gz JYTZEYRJOWVICP-UHFFFAOYSA-N 1 2 229.287 1.540 20 0 BDADLO CCc1ncc(NCc2c[nH+]cn2C)cn1 ZINC000902203882 584538040 /nfs/dbraw/zinc/53/80/40/584538040.db2.gz BUKWMGCJYBEMAM-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO CCn1c[nH+]c(CNCc2ccn(C(C)C)n2)c1 ZINC000902260373 584544636 /nfs/dbraw/zinc/54/46/36/584544636.db2.gz QHBWGZJZEYEXBK-UHFFFAOYSA-N 1 2 247.346 1.970 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ccn(C(C)C)n2)c1 ZINC000902260373 584544637 /nfs/dbraw/zinc/54/46/37/584544637.db2.gz QHBWGZJZEYEXBK-UHFFFAOYSA-N 1 2 247.346 1.970 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cc(C)nnc1C ZINC000902281919 584547133 /nfs/dbraw/zinc/54/71/33/584547133.db2.gz MLDFHSIVLYWSNT-VIFPVBQESA-N 1 2 238.291 1.127 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC[C@@H]1C[C@H]1C1CC1 ZINC000902281558 584547425 /nfs/dbraw/zinc/54/74/25/584547425.db2.gz LGIWXLHLQXBCTI-IEBDPFPHSA-N 1 2 226.320 1.956 20 0 BDADLO Cc1nn(C)c(C)c1OCc1ccc(N)[nH+]c1 ZINC000902271213 584549703 /nfs/dbraw/zinc/54/97/03/584549703.db2.gz NUOJFVAMUXGVAJ-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1CN1CCOC1=O ZINC000902313902 584555969 /nfs/dbraw/zinc/55/59/69/584555969.db2.gz VCNAWFGVYJAVES-JTQLQIEISA-N 1 2 240.303 1.040 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1CN1CCOC1=O ZINC000902313902 584555971 /nfs/dbraw/zinc/55/59/71/584555971.db2.gz VCNAWFGVYJAVES-JTQLQIEISA-N 1 2 240.303 1.040 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)OCCF ZINC000859061096 588995996 /nfs/dbraw/zinc/99/59/96/588995996.db2.gz BTBACOKBCGLBHT-UHFFFAOYSA-N 1 2 227.239 1.189 20 0 BDADLO C[C@@H]([NH2+]Cc1csc(N)n1)c1ccccn1 ZINC000902487729 584626683 /nfs/dbraw/zinc/62/66/83/584626683.db2.gz DEXMLEWGOSUFCL-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO CCn1c[nH+]c(CNCC(C)(F)F)c1 ZINC000902574363 584637355 /nfs/dbraw/zinc/63/73/55/584637355.db2.gz BEBBSYDIACNUHJ-UHFFFAOYSA-N 1 2 203.236 1.648 20 0 BDADLO CCOc1ccn(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000902580128 584638613 /nfs/dbraw/zinc/63/86/13/584638613.db2.gz JIUAXRWPBFYNAA-UHFFFAOYSA-N 1 2 246.314 1.791 20 0 BDADLO Cc1cc(C)nc(CO[NH+]=C(N)CCO)c1 ZINC000902728816 584662113 /nfs/dbraw/zinc/66/21/13/584662113.db2.gz BGCGPAQNFJFOFL-UHFFFAOYSA-N 1 2 223.276 1.079 20 0 BDADLO Cc1cc(C)nc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000902739309 584663375 /nfs/dbraw/zinc/66/33/75/584663375.db2.gz UPMZNDWPWDCFOQ-LBPRGKRZSA-N 1 2 249.314 1.876 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(Cl)n(C)n2)CCCO1 ZINC000859116950 589004390 /nfs/dbraw/zinc/00/43/90/589004390.db2.gz OKKIIZGBTIEYQA-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)CCCO1 ZINC000859116950 589004391 /nfs/dbraw/zinc/00/43/91/589004391.db2.gz OKKIIZGBTIEYQA-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859118696 589005167 /nfs/dbraw/zinc/00/51/67/589005167.db2.gz QJVJZZJTPHCQAA-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859118696 589005169 /nfs/dbraw/zinc/00/51/69/589005169.db2.gz QJVJZZJTPHCQAA-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)nn1 ZINC000902994850 584712257 /nfs/dbraw/zinc/71/22/57/584712257.db2.gz JPCDEZRMVBIEFG-SECBINFHSA-N 1 2 225.267 1.419 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@@H](F)C2)nn1 ZINC000902994850 584712258 /nfs/dbraw/zinc/71/22/58/584712258.db2.gz JPCDEZRMVBIEFG-SECBINFHSA-N 1 2 225.267 1.419 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCC[C@H](F)C2)CCO1 ZINC000902994501 584712442 /nfs/dbraw/zinc/71/24/42/584712442.db2.gz DCGKABNVFZMKDT-NEPJUHHUSA-N 1 2 230.327 1.141 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCC[C@H](F)C2)CCO1 ZINC000902994501 584712444 /nfs/dbraw/zinc/71/24/44/584712444.db2.gz DCGKABNVFZMKDT-NEPJUHHUSA-N 1 2 230.327 1.141 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](F)C1 ZINC000903002178 584716187 /nfs/dbraw/zinc/71/61/87/584716187.db2.gz XKGNICPJMOLKFC-BDAKNGLRSA-N 1 2 214.284 1.087 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](F)C1 ZINC000903002178 584716188 /nfs/dbraw/zinc/71/61/88/584716188.db2.gz XKGNICPJMOLKFC-BDAKNGLRSA-N 1 2 214.284 1.087 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](F)C1)N1CCCCC1 ZINC000903002175 584716535 /nfs/dbraw/zinc/71/65/35/584716535.db2.gz XHJHNIQNWBBLRP-NSHDSACASA-N 1 2 228.311 1.433 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](F)C1)N1CCCCC1 ZINC000903002175 584716537 /nfs/dbraw/zinc/71/65/37/584716537.db2.gz XHJHNIQNWBBLRP-NSHDSACASA-N 1 2 228.311 1.433 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000903299024 584743425 /nfs/dbraw/zinc/74/34/25/584743425.db2.gz BZDIKQHGCUIHJY-YUSALJHKSA-N 1 2 240.303 1.438 20 0 BDADLO C[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316719 584750051 /nfs/dbraw/zinc/75/00/51/584750051.db2.gz QNMNUVMJQCSPDP-NWDGAFQWSA-N 1 2 225.380 1.153 20 0 BDADLO C[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316719 584750052 /nfs/dbraw/zinc/75/00/52/584750052.db2.gz QNMNUVMJQCSPDP-NWDGAFQWSA-N 1 2 225.380 1.153 20 0 BDADLO c1ccc(OCCOCCN2CC=CC[NH2+]2)cc1 ZINC000903488478 584780595 /nfs/dbraw/zinc/78/05/95/584780595.db2.gz FWNUYWVJWFKMLZ-UHFFFAOYSA-N 1 2 248.326 1.458 20 0 BDADLO Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C(=O)[O-])cn21 ZINC000904248645 584857165 /nfs/dbraw/zinc/85/71/65/584857165.db2.gz DTWOPNQUPMTQMD-SNVBAGLBSA-N 1 2 247.298 1.248 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(C2=COCC2)n1 ZINC000904269682 584858740 /nfs/dbraw/zinc/85/87/40/584858740.db2.gz PGPUUBCRWLUOTM-UHFFFAOYSA-N 1 2 244.254 1.783 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(C2(C)COC2)n1 ZINC000904260994 584859218 /nfs/dbraw/zinc/85/92/18/584859218.db2.gz WDUARMCVLPWJSD-UHFFFAOYSA-N 1 2 246.270 1.310 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000730379567 584910396 /nfs/dbraw/zinc/91/03/96/584910396.db2.gz SKWSTMHBBKQOHU-RNFRBKRXSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000730379567 584910397 /nfs/dbraw/zinc/91/03/97/584910397.db2.gz SKWSTMHBBKQOHU-RNFRBKRXSA-N 1 2 237.130 1.001 20 0 BDADLO Fc1cc(C[N@@H+]2CCC3(C2)OCCO3)ccn1 ZINC000859186301 589016163 /nfs/dbraw/zinc/01/61/63/589016163.db2.gz HYGOGKPNKHZQQH-UHFFFAOYSA-N 1 2 238.262 1.170 20 0 BDADLO Fc1cc(C[N@H+]2CCC3(C2)OCCO3)ccn1 ZINC000859186301 589016165 /nfs/dbraw/zinc/01/61/65/589016165.db2.gz HYGOGKPNKHZQQH-UHFFFAOYSA-N 1 2 238.262 1.170 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c[nH]nc3c2)co1 ZINC000730818940 584916953 /nfs/dbraw/zinc/91/69/53/584916953.db2.gz HFSOUUCBFVZPDN-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1CC1(F)F ZINC000835329489 584924222 /nfs/dbraw/zinc/92/42/22/584924222.db2.gz CKJOJZFKNMYKHU-MRVPVSSYSA-N 1 2 244.241 1.551 20 0 BDADLO C[C@@H](O)c1ccc(N(C)[C@H]2CCOC2)[nH+]c1 ZINC000134729665 584953795 /nfs/dbraw/zinc/95/37/95/584953795.db2.gz JSTVTGSELKOSEV-KOLCDFICSA-N 1 2 222.288 1.360 20 0 BDADLO CCC(=O)N1CCN(c2cc[nH+]c(CC)n2)C1 ZINC000884536448 584957010 /nfs/dbraw/zinc/95/70/10/584957010.db2.gz AYLHKGXJAWWHJZ-UHFFFAOYSA-N 1 2 234.303 1.055 20 0 BDADLO Cc1nc(N2CC[C@H]([C@H]3CCCO3)C2)cc[nH+]1 ZINC000884731859 584962805 /nfs/dbraw/zinc/96/28/05/584962805.db2.gz GSUHLJCGCCVLHF-NWDGAFQWSA-N 1 2 233.315 1.790 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CC23CC3)CCO1 ZINC000817232849 584983745 /nfs/dbraw/zinc/98/37/45/584983745.db2.gz MKVFXGZLZSBNDE-QWRGUYRKSA-N 1 2 239.315 1.050 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CC23CC3)CCO1 ZINC000817232849 584983746 /nfs/dbraw/zinc/98/37/46/584983746.db2.gz MKVFXGZLZSBNDE-QWRGUYRKSA-N 1 2 239.315 1.050 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817720432 584988623 /nfs/dbraw/zinc/98/86/23/584988623.db2.gz ROMRGQJBVKSXPI-GMTAPVOTSA-N 1 2 234.299 1.900 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000351356684 585013274 /nfs/dbraw/zinc/01/32/74/585013274.db2.gz VPXNWWILVGZJEQ-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000351356684 585013275 /nfs/dbraw/zinc/01/32/75/585013275.db2.gz VPXNWWILVGZJEQ-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@H](C)CCC(=O)NCc1cn(C)c[nH+]1 ZINC000890106473 585023641 /nfs/dbraw/zinc/02/36/41/585023641.db2.gz ADJIPFWQHBFXJV-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788083670 585030981 /nfs/dbraw/zinc/03/09/81/585030981.db2.gz LYMDJAHQOYOILJ-KXUCPTDWSA-N 1 2 215.268 1.229 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788083670 585030982 /nfs/dbraw/zinc/03/09/82/585030982.db2.gz LYMDJAHQOYOILJ-KXUCPTDWSA-N 1 2 215.268 1.229 20 0 BDADLO Cc1nonc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000737555939 585036060 /nfs/dbraw/zinc/03/60/60/585036060.db2.gz WVTJYIPYOKNLSZ-UHFFFAOYSA-N 1 2 243.226 1.278 20 0 BDADLO C/C=C\C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000737837154 585038543 /nfs/dbraw/zinc/03/85/43/585038543.db2.gz JXZPHCKEYVFVFV-MORRKMRCSA-N 1 2 219.288 1.623 20 0 BDADLO C[C@@H](C(=O)OCC[NH+]1CCOCC1)C1CCC1 ZINC000838388880 585055678 /nfs/dbraw/zinc/05/56/78/585055678.db2.gz KLESKNXVJJYGFD-LLVKDONJSA-N 1 2 241.331 1.298 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)N1CCCCCC1 ZINC000838634588 585064068 /nfs/dbraw/zinc/06/40/68/585064068.db2.gz NJLLRGOLXSIEBQ-NSHDSACASA-N 1 2 248.330 1.914 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC000838780779 585069579 /nfs/dbraw/zinc/06/95/79/585069579.db2.gz GFRQIMHUFVYBDE-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC000838780779 585069580 /nfs/dbraw/zinc/06/95/80/585069580.db2.gz GFRQIMHUFVYBDE-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCC[N@H+](CCC(=O)N1CCCC1)CC(F)F ZINC000838814396 585071469 /nfs/dbraw/zinc/07/14/69/585071469.db2.gz KZTWRFCTTCKCKQ-UHFFFAOYSA-N 1 2 248.317 1.976 20 0 BDADLO CCC[N@@H+](CCC(=O)N1CCCC1)CC(F)F ZINC000838814396 585071470 /nfs/dbraw/zinc/07/14/70/585071470.db2.gz KZTWRFCTTCKCKQ-UHFFFAOYSA-N 1 2 248.317 1.976 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CC)n2)CCS1 ZINC000838841562 585074123 /nfs/dbraw/zinc/07/41/23/585074123.db2.gz FPZAGHQZGITYAA-NSHDSACASA-N 1 2 240.376 1.625 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CC)n2)CCS1 ZINC000838841562 585074124 /nfs/dbraw/zinc/07/41/24/585074124.db2.gz FPZAGHQZGITYAA-NSHDSACASA-N 1 2 240.376 1.625 20 0 BDADLO CCn1ncc(C[N@@H+]2CCCOC(C)(C)C2)n1 ZINC000838841330 585074248 /nfs/dbraw/zinc/07/42/48/585074248.db2.gz OVQVLGMZRKHZJM-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+]2CCCOC(C)(C)C2)n1 ZINC000838841330 585074249 /nfs/dbraw/zinc/07/42/49/585074249.db2.gz OVQVLGMZRKHZJM-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](O)C2CC2)CCCCC1 ZINC000838849882 585074784 /nfs/dbraw/zinc/07/47/84/585074784.db2.gz LHUGJHJBYWYQMC-LLVKDONJSA-N 1 2 241.331 1.223 20 0 BDADLO CCC(CC)([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000838931017 585081270 /nfs/dbraw/zinc/08/12/70/585081270.db2.gz STLUUAMUIBOFQV-SNVBAGLBSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)CC(C)(C)C[NH2+][C@@H](C)C(=O)OC ZINC000839054541 585089052 /nfs/dbraw/zinc/08/90/52/585089052.db2.gz UQWCCBCHRYVIIV-VIFPVBQESA-N 1 2 245.319 1.117 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@@](C)(OC)C2)n1 ZINC000839066740 585089540 /nfs/dbraw/zinc/08/95/40/585089540.db2.gz MABJJWTVLZUARC-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@@](C)(OC)C2)n1 ZINC000839066740 585089541 /nfs/dbraw/zinc/08/95/41/585089541.db2.gz MABJJWTVLZUARC-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCc1ncc(C[NH+]2CC(O)(C(C)C)C2)s1 ZINC000839133584 585094069 /nfs/dbraw/zinc/09/40/69/585094069.db2.gz WDFKQXPCBZUYBL-UHFFFAOYSA-N 1 2 240.372 1.908 20 0 BDADLO CCn1ncc(C[NH+]2CC(C)(CC)C2)n1 ZINC000839144360 585094928 /nfs/dbraw/zinc/09/49/28/585094928.db2.gz WLPAVIFPPYPANS-UHFFFAOYSA-N 1 2 208.309 1.530 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H](C)c2ccn(C)n2)c1C ZINC000886142694 585109112 /nfs/dbraw/zinc/10/91/12/585109112.db2.gz ITRBVBKBNOTBOE-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO CCC(=O)COC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000741031503 585109531 /nfs/dbraw/zinc/10/95/31/585109531.db2.gz RRFCXFYYBDMRJO-LLVKDONJSA-N 1 2 241.331 1.773 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742198158 585122904 /nfs/dbraw/zinc/12/29/04/585122904.db2.gz ZYJCFZIDPRVBNU-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742198158 585122905 /nfs/dbraw/zinc/12/29/05/585122905.db2.gz ZYJCFZIDPRVBNU-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO CCOCCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000742363473 585124627 /nfs/dbraw/zinc/12/46/27/585124627.db2.gz GKDPTUOCJUNLNE-NSHDSACASA-N 1 2 246.351 1.973 20 0 BDADLO Cc1nonc1CNc1cc[nH+]c(C2CC2)n1 ZINC000742419813 585126138 /nfs/dbraw/zinc/12/61/38/585126138.db2.gz RAYKCONPXDVODG-UHFFFAOYSA-N 1 2 231.259 1.658 20 0 BDADLO C/C(=C/C(=O)NCCn1cc[nH+]c1)C(C)(C)C ZINC000742539446 585127844 /nfs/dbraw/zinc/12/78/44/585127844.db2.gz SJDKHMMLPMDXJF-LUAWRHEFSA-N 1 2 235.331 1.992 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CN1C(=O)CC12CCC2 ZINC000743364489 585135947 /nfs/dbraw/zinc/13/59/47/585135947.db2.gz NLZCLGFWVCMBGL-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO CC[C@H]1COCC[N@H+]1CN1C(=O)CC12CCC2 ZINC000743364489 585135948 /nfs/dbraw/zinc/13/59/48/585135948.db2.gz NLZCLGFWVCMBGL-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ncccn1 ZINC000743398999 585136438 /nfs/dbraw/zinc/13/64/38/585136438.db2.gz LYMAGBPARFXKFI-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO COC1C[NH+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000744399626 585150107 /nfs/dbraw/zinc/15/01/07/585150107.db2.gz UNRBKVBGTQERSV-ZDUSSCGKSA-N 1 2 221.300 1.359 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000745080647 585156261 /nfs/dbraw/zinc/15/62/61/585156261.db2.gz WZHRGJMSXWORLK-ZYHUDNBSSA-N 1 2 239.315 1.526 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000745080647 585156262 /nfs/dbraw/zinc/15/62/62/585156262.db2.gz WZHRGJMSXWORLK-ZYHUDNBSSA-N 1 2 239.315 1.526 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1 ZINC000745082448 585156367 /nfs/dbraw/zinc/15/63/67/585156367.db2.gz PHQYZZAISLPUIT-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1 ZINC000745082448 585156368 /nfs/dbraw/zinc/15/63/68/585156368.db2.gz PHQYZZAISLPUIT-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CC1(OCC(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000746181469 585164702 /nfs/dbraw/zinc/16/47/02/585164702.db2.gz FGEOOJIOEUMLCH-UHFFFAOYSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(NC(=O)c2ccnc(F)c2)c(C)c[nH+]1 ZINC000747107806 585175215 /nfs/dbraw/zinc/17/52/15/585175215.db2.gz QQSIWNIBZVIXFV-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO C/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747400096 585178589 /nfs/dbraw/zinc/17/85/89/585178589.db2.gz FXSSBVCTSUXPPV-FSIBCCDJSA-N 1 2 207.277 1.212 20 0 BDADLO CO[C@H](C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747400733 585178771 /nfs/dbraw/zinc/17/87/71/585178771.db2.gz MDGNPEYVXHPJRA-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO CC[C@@H](SC)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000747590555 585180985 /nfs/dbraw/zinc/18/09/85/585180985.db2.gz LKMKQTWKHCWMBM-NXEZZACHSA-N 1 2 230.377 1.291 20 0 BDADLO CC[C@@H](SC)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000747590555 585180986 /nfs/dbraw/zinc/18/09/86/585180986.db2.gz LKMKQTWKHCWMBM-NXEZZACHSA-N 1 2 230.377 1.291 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC[C@H]1CCCO1 ZINC000747782202 585184311 /nfs/dbraw/zinc/18/43/11/585184311.db2.gz FOUKEKCAYYONDX-LLVKDONJSA-N 1 2 238.287 1.423 20 0 BDADLO CCc1noc(C)c1C(=O)OCc1c[nH+]cn1C ZINC000747784437 585184410 /nfs/dbraw/zinc/18/44/10/585184410.db2.gz WOQQIFCKUGSYNO-UHFFFAOYSA-N 1 2 249.270 1.636 20 0 BDADLO CC(C)n1ccc(CC(=O)NCc2c[nH+]c[nH]2)n1 ZINC000748320994 585190544 /nfs/dbraw/zinc/19/05/44/585190544.db2.gz AFWSGXRSOVSGHT-UHFFFAOYSA-N 1 2 247.302 1.046 20 0 BDADLO CC(C)n1ccc(CC(=O)NCc2c[nH]c[nH+]2)n1 ZINC000748320994 585190545 /nfs/dbraw/zinc/19/05/45/585190545.db2.gz AFWSGXRSOVSGHT-UHFFFAOYSA-N 1 2 247.302 1.046 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750070309 585209795 /nfs/dbraw/zinc/20/97/95/585209795.db2.gz YCSOHOMGBGHTHW-VIFPVBQESA-N 1 2 223.276 1.340 20 0 BDADLO CC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750070309 585209796 /nfs/dbraw/zinc/20/97/96/585209796.db2.gz YCSOHOMGBGHTHW-VIFPVBQESA-N 1 2 223.276 1.340 20 0 BDADLO C[C@@H]1CN(CCF)[C@@H](C)C[N@@H+]1CCF ZINC000750127291 585210773 /nfs/dbraw/zinc/21/07/73/585210773.db2.gz NVUVTOMPMAGNDT-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1CN(CCF)[C@@H](C)C[N@H+]1CCF ZINC000750127291 585210774 /nfs/dbraw/zinc/21/07/74/585210774.db2.gz NVUVTOMPMAGNDT-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1C[N@H+](CCF)[C@@H](C)CN1CCF ZINC000750127291 585210775 /nfs/dbraw/zinc/21/07/75/585210775.db2.gz NVUVTOMPMAGNDT-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)[C@@H](C)CN1CCF ZINC000750127291 585210776 /nfs/dbraw/zinc/21/07/76/585210776.db2.gz NVUVTOMPMAGNDT-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO CC(C)=C(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000751191983 585225411 /nfs/dbraw/zinc/22/54/11/585225411.db2.gz AMUWDLJQHKTDHB-UHFFFAOYSA-N 1 2 240.347 1.133 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000751367516 585227752 /nfs/dbraw/zinc/22/77/52/585227752.db2.gz NYZOAXQTEXINIA-WZUFQYTHSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000751367516 585227753 /nfs/dbraw/zinc/22/77/53/585227753.db2.gz NYZOAXQTEXINIA-WZUFQYTHSA-N 1 2 240.347 1.180 20 0 BDADLO CS/C=C\C(=O)NCc1cn2ccccc2[nH+]1 ZINC000751465112 585231101 /nfs/dbraw/zinc/23/11/01/585231101.db2.gz FTUVTEHJRWIEIZ-ALCCZGGFSA-N 1 2 247.323 1.827 20 0 BDADLO CS/C=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000751584878 585234038 /nfs/dbraw/zinc/23/40/38/585234038.db2.gz DGAJRNFYGFNNNL-XICOKMJESA-N 1 2 239.344 1.512 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000752313903 585244819 /nfs/dbraw/zinc/24/48/19/585244819.db2.gz IBIBFCVKAGWDCH-QWHCGFSZSA-N 1 2 231.295 1.619 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000752313903 585244820 /nfs/dbraw/zinc/24/48/20/585244820.db2.gz IBIBFCVKAGWDCH-QWHCGFSZSA-N 1 2 231.295 1.619 20 0 BDADLO CC[C@H](C)OCC(=O)OCc1c[nH+]cn1C ZINC000752512469 585247386 /nfs/dbraw/zinc/24/73/86/585247386.db2.gz KTQZCHMRZKARKL-VIFPVBQESA-N 1 2 226.276 1.278 20 0 BDADLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC(F)C1 ZINC000753068485 585252986 /nfs/dbraw/zinc/25/29/86/585252986.db2.gz RYUQMNYSJNUWQL-UHFFFAOYSA-N 1 2 246.245 1.061 20 0 BDADLO Cn1c[nH+]cc1CONC(=O)C1CCCC1 ZINC000753118105 585253867 /nfs/dbraw/zinc/25/38/67/585253867.db2.gz DBMNXBHLSVROCI-UHFFFAOYSA-N 1 2 223.276 1.158 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893813 585271773 /nfs/dbraw/zinc/27/17/73/585271773.db2.gz BEURQAJMVKPGPJ-WYUUTHIRSA-N 1 2 239.315 1.049 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893813 585271774 /nfs/dbraw/zinc/27/17/74/585271774.db2.gz BEURQAJMVKPGPJ-WYUUTHIRSA-N 1 2 239.315 1.049 20 0 BDADLO C/C(=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000754365971 585283293 /nfs/dbraw/zinc/28/32/93/585283293.db2.gz ISAPIAQOAKJANU-DHHDDZJSSA-N 1 2 245.326 1.740 20 0 BDADLO CC(=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000754365971 585283294 /nfs/dbraw/zinc/28/32/94/585283294.db2.gz ISAPIAQOAKJANU-DHHDDZJSSA-N 1 2 245.326 1.740 20 0 BDADLO COCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754491664 585285286 /nfs/dbraw/zinc/28/52/86/585285286.db2.gz BMCDISMGRVEIPW-UHFFFAOYSA-N 1 2 246.266 1.562 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1CCSCC1 ZINC000754685843 585289300 /nfs/dbraw/zinc/28/93/00/585289300.db2.gz UQVRTVIJYTVQCR-UHFFFAOYSA-N 1 2 240.328 1.607 20 0 BDADLO Cc1cccnc1C(=O)OCc1c[nH+]cn1C ZINC000754685883 585289482 /nfs/dbraw/zinc/28/94/82/585289482.db2.gz WABVDVZGUVJFHR-UHFFFAOYSA-N 1 2 231.255 1.481 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1csc(C=O)c1 ZINC000755002165 585293094 /nfs/dbraw/zinc/29/30/94/585293094.db2.gz QSLGQVBNXXYQCY-UHFFFAOYSA-N 1 2 249.295 1.556 20 0 BDADLO CCC1(C(=O)Nc2cc[nH+]c(C)c2)COC1 ZINC000755367620 585298274 /nfs/dbraw/zinc/29/82/74/585298274.db2.gz VWZQMMZEQCAMAN-UHFFFAOYSA-N 1 2 220.272 1.177 20 0 BDADLO Cc1ccnc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000755803032 585307679 /nfs/dbraw/zinc/30/76/79/585307679.db2.gz DKEKIVCCEBCDSI-UHFFFAOYSA-N 1 2 242.282 1.832 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000757315296 585331591 /nfs/dbraw/zinc/33/15/91/585331591.db2.gz INJCIMKMSCCSPO-QWRGUYRKSA-N 1 2 238.287 1.421 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)OCCCn1cc[nH+]c1 ZINC000758384996 585355412 /nfs/dbraw/zinc/35/54/12/585355412.db2.gz VSXRJZVWDWYIMV-SNVBAGLBSA-N 1 2 240.303 1.223 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CC1(C)CC1 ZINC000758828385 585360449 /nfs/dbraw/zinc/36/04/49/585360449.db2.gz NVBCBANFILVWCZ-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO Clc1cc(C[N@@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000759522498 585374367 /nfs/dbraw/zinc/37/43/67/585374367.db2.gz QGSNZVUGBHOIDO-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1cc(C[N@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000759522498 585374368 /nfs/dbraw/zinc/37/43/68/585374368.db2.gz QGSNZVUGBHOIDO-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CC1(O)CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000759747247 585379868 /nfs/dbraw/zinc/37/98/68/585379868.db2.gz QKISYMRTTNWKQU-UHFFFAOYSA-N 1 2 229.711 1.341 20 0 BDADLO C[C@@H]1CC[N@H+](CCC(=O)C2CC2)CC[S@]1=O ZINC000759875565 585382009 /nfs/dbraw/zinc/38/20/09/585382009.db2.gz OPILABNRWXWRFC-QLJPJBMISA-N 1 2 243.372 1.199 20 0 BDADLO C[C@@H]1CC[N@@H+](CCC(=O)C2CC2)CC[S@]1=O ZINC000759875565 585382010 /nfs/dbraw/zinc/38/20/10/585382010.db2.gz OPILABNRWXWRFC-QLJPJBMISA-N 1 2 243.372 1.199 20 0 BDADLO O=C(NOCC(F)F)c1cccc2[nH+]ccn21 ZINC000760143711 585386062 /nfs/dbraw/zinc/38/60/62/585386062.db2.gz IGXOBXPHTDLIOZ-UHFFFAOYSA-N 1 2 241.197 1.261 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761089561 585408148 /nfs/dbraw/zinc/40/81/48/585408148.db2.gz JASRPXZJJOCCFK-BDAKNGLRSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761089561 585408149 /nfs/dbraw/zinc/40/81/49/585408149.db2.gz JASRPXZJJOCCFK-BDAKNGLRSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761095141 585408706 /nfs/dbraw/zinc/40/87/06/585408706.db2.gz QLFAGMAXYDTVDA-ZJUUUORDSA-N 1 2 221.304 1.862 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761095141 585408707 /nfs/dbraw/zinc/40/87/07/585408707.db2.gz QLFAGMAXYDTVDA-ZJUUUORDSA-N 1 2 221.304 1.862 20 0 BDADLO COCC1([N@H+](C)Cc2nccc(C)n2)CC1 ZINC000761100594 585409626 /nfs/dbraw/zinc/40/96/26/585409626.db2.gz JCFYSNCJUJZRTI-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO COCC1([N@@H+](C)Cc2nccc(C)n2)CC1 ZINC000761100594 585409627 /nfs/dbraw/zinc/40/96/27/585409627.db2.gz JCFYSNCJUJZRTI-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCCC(C)C ZINC000762210264 585429112 /nfs/dbraw/zinc/42/91/12/585429112.db2.gz NNPXEYMHVKULNW-VIFPVBQESA-N 1 2 202.298 1.956 20 0 BDADLO CN(C)c1cc(CSc2ncnn2C)cc[nH+]1 ZINC000762478113 585432829 /nfs/dbraw/zinc/43/28/29/585432829.db2.gz RYVPCJJHSBECCA-UHFFFAOYSA-N 1 2 249.343 1.568 20 0 BDADLO CS[C@@H](C)CCC(=O)OCCn1cc[nH+]c1 ZINC000762927813 585439580 /nfs/dbraw/zinc/43/95/80/585439580.db2.gz JNSPEBZULXDPCJ-JTQLQIEISA-N 1 2 242.344 1.958 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000763911333 585456862 /nfs/dbraw/zinc/45/68/62/585456862.db2.gz KWJJRLAZDUWXDM-HYYFJVDXSA-N 1 2 237.752 1.248 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000763911333 585456863 /nfs/dbraw/zinc/45/68/63/585456863.db2.gz KWJJRLAZDUWXDM-HYYFJVDXSA-N 1 2 237.752 1.248 20 0 BDADLO CCONC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000764077763 585459293 /nfs/dbraw/zinc/45/92/93/585459293.db2.gz TUGKUCCOGSVAOR-GFCCVEGCSA-N 1 2 236.315 1.747 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000764893467 585477364 /nfs/dbraw/zinc/47/73/64/585477364.db2.gz QIQWEWQNQILCDR-NSHDSACASA-N 1 2 245.326 1.884 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000764893467 585477365 /nfs/dbraw/zinc/47/73/65/585477365.db2.gz QIQWEWQNQILCDR-NSHDSACASA-N 1 2 245.326 1.884 20 0 BDADLO CC1(C)OC[C@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000765054044 585480339 /nfs/dbraw/zinc/48/03/39/585480339.db2.gz DVHQPLNOUNKMOO-JTQLQIEISA-N 1 2 249.314 1.917 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2cnccn2)[nH]n1 ZINC000765991194 585495296 /nfs/dbraw/zinc/49/52/96/585495296.db2.gz AYLGCZJMJYUAEI-VIFPVBQESA-N 1 2 231.303 1.613 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCOC2(CCC2)C1 ZINC000766266693 585499868 /nfs/dbraw/zinc/49/98/68/585499868.db2.gz OKZKVMMJSDFIFQ-WCIBSUBMSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCOC2(CCC2)C1 ZINC000766266693 585499869 /nfs/dbraw/zinc/49/98/69/585499869.db2.gz OKZKVMMJSDFIFQ-WCIBSUBMSA-N 1 2 239.315 1.361 20 0 BDADLO Cn1ncc2c1nc(NCCC1CCC1)[nH+]c2N ZINC000767300534 585516328 /nfs/dbraw/zinc/51/63/28/585516328.db2.gz ARRSZIWECWLGLZ-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnnn2C2CC2)c(C)o1 ZINC000767372634 585518107 /nfs/dbraw/zinc/51/81/07/585518107.db2.gz DYLHPJWPGQAADM-UHFFFAOYSA-N 1 2 247.302 1.508 20 0 BDADLO CC(C)CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767419879 585519668 /nfs/dbraw/zinc/51/96/68/585519668.db2.gz KZEROPLSNLRDGT-TXEJJXNPSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767419879 585519669 /nfs/dbraw/zinc/51/96/69/585519669.db2.gz KZEROPLSNLRDGT-TXEJJXNPSA-N 1 2 241.331 1.439 20 0 BDADLO C[N@H+](CCOC(C)(C)C)[C@@H]1CCOC1=O ZINC000767905462 585528329 /nfs/dbraw/zinc/52/83/29/585528329.db2.gz OCTJFGKZZCHELZ-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO OC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768183709 585533558 /nfs/dbraw/zinc/53/35/58/585533558.db2.gz PCOACSFXSHYGEP-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1sccc1OC ZINC000768301744 585535350 /nfs/dbraw/zinc/53/53/50/585535350.db2.gz KGUOWJDHXYIMCJ-UHFFFAOYSA-N 1 2 242.344 1.325 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1sccc1OC ZINC000768301744 585535351 /nfs/dbraw/zinc/53/53/51/585535351.db2.gz KGUOWJDHXYIMCJ-UHFFFAOYSA-N 1 2 242.344 1.325 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1[nH]nc2ccccc21 ZINC000768301684 585535473 /nfs/dbraw/zinc/53/54/73/585535473.db2.gz HQIGPIKPMWVIPS-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1[nH]nc2ccccc21 ZINC000768301684 585535474 /nfs/dbraw/zinc/53/54/74/585535474.db2.gz HQIGPIKPMWVIPS-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1n[nH]c2ccccc12 ZINC000768301684 585535475 /nfs/dbraw/zinc/53/54/75/585535475.db2.gz HQIGPIKPMWVIPS-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1n[nH]c2ccccc12 ZINC000768301684 585535476 /nfs/dbraw/zinc/53/54/76/585535476.db2.gz HQIGPIKPMWVIPS-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CC(C)(F)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000768395303 585537959 /nfs/dbraw/zinc/53/79/59/585537959.db2.gz XJGGSBNWKRDQEW-UHFFFAOYSA-N 1 2 238.262 1.419 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC000768487838 585539419 /nfs/dbraw/zinc/53/94/19/585539419.db2.gz KUGKYGWOYCNMKE-VIFPVBQESA-N 1 2 239.294 1.484 20 0 BDADLO Cn1cc[nH+]c1CNc1cnn(C)c1C1CC1 ZINC000769922561 585566577 /nfs/dbraw/zinc/56/65/77/585566577.db2.gz BCBWMGXLUCVURY-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c(C)o1 ZINC000770351127 585572999 /nfs/dbraw/zinc/57/29/99/585572999.db2.gz JCSQFWHPYHUXKW-RNCFNFMXSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c(C)o1 ZINC000770351127 585573000 /nfs/dbraw/zinc/57/30/00/585573000.db2.gz JCSQFWHPYHUXKW-RNCFNFMXSA-N 1 2 239.315 1.478 20 0 BDADLO C[C@H]1COCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000770400398 585573768 /nfs/dbraw/zinc/57/37/68/585573768.db2.gz PAQFAZAQXFVODN-JTQLQIEISA-N 1 2 245.282 1.195 20 0 BDADLO CCc1ncncc1C(=O)OCCn1cc[nH+]c1 ZINC000771919355 585604161 /nfs/dbraw/zinc/60/41/61/585604161.db2.gz QYIKCIMLBJCCDJ-UHFFFAOYSA-N 1 2 246.270 1.093 20 0 BDADLO CC(C)n1ccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000771958339 585605646 /nfs/dbraw/zinc/60/56/46/585605646.db2.gz CZTAWYIAKWMXFW-UHFFFAOYSA-N 1 2 248.286 1.518 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)nc1 ZINC000772021485 585607194 /nfs/dbraw/zinc/60/71/94/585607194.db2.gz DXNYQHXDOQMQEL-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2C=CCCC2)C1 ZINC000805473602 585625365 /nfs/dbraw/zinc/62/53/65/585625365.db2.gz NPOKZEUUNRRTGT-RYUDHWBXSA-N 1 2 239.315 1.359 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2C=CCCC2)C1 ZINC000805473602 585625366 /nfs/dbraw/zinc/62/53/66/585625366.db2.gz NPOKZEUUNRRTGT-RYUDHWBXSA-N 1 2 239.315 1.359 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1cnccn1 ZINC000773090489 585631202 /nfs/dbraw/zinc/63/12/02/585631202.db2.gz UHFPYRFBRUAJDC-VIFPVBQESA-N 1 2 232.262 1.862 20 0 BDADLO Cc1cc(NC[C@H]2COC3(CCCC3)O2)nc[nH+]1 ZINC000773239350 585634045 /nfs/dbraw/zinc/63/40/45/585634045.db2.gz ZFFNGRUYLCQNCN-NSHDSACASA-N 1 2 249.314 1.883 20 0 BDADLO CCC/C(C)=C\C(=O)NCCc1c[nH+]cn1C ZINC000773830952 585644493 /nfs/dbraw/zinc/64/44/93/585644493.db2.gz SPFXCLFTLMZKCB-FLIBITNWSA-N 1 2 235.331 1.825 20 0 BDADLO C/C=C(/C)C(=O)NCCc1c[nH+]cn1C ZINC000773828808 585644557 /nfs/dbraw/zinc/64/45/57/585644557.db2.gz FDZDOOUIGTUIHT-WTKPLQERSA-N 1 2 207.277 1.045 20 0 BDADLO CON(C)C(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000774716097 585664057 /nfs/dbraw/zinc/66/40/57/585664057.db2.gz NRBRDGFMUDYAEN-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO CON(C)C(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000774716097 585664058 /nfs/dbraw/zinc/66/40/58/585664058.db2.gz NRBRDGFMUDYAEN-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cncnc1 ZINC000805530409 585670799 /nfs/dbraw/zinc/67/07/99/585670799.db2.gz NRVBUVWTAUOELL-UHFFFAOYSA-N 1 2 245.238 1.237 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccn(C)n1 ZINC000805542218 585675125 /nfs/dbraw/zinc/67/51/25/585675125.db2.gz JKVALYUQGDSJDT-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC1CCC1 ZINC000775613629 585681478 /nfs/dbraw/zinc/68/14/78/585681478.db2.gz MXEYVZRFSPCQBQ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC1CCC1 ZINC000775613629 585681479 /nfs/dbraw/zinc/68/14/79/585681479.db2.gz MXEYVZRFSPCQBQ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCF ZINC000775805939 585685491 /nfs/dbraw/zinc/68/54/91/585685491.db2.gz FRLFEZKHVVSWCJ-RKDXNWHRSA-N 1 2 203.257 1.229 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCF ZINC000775805939 585685492 /nfs/dbraw/zinc/68/54/92/585685492.db2.gz FRLFEZKHVVSWCJ-RKDXNWHRSA-N 1 2 203.257 1.229 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000776590666 585701929 /nfs/dbraw/zinc/70/19/29/585701929.db2.gz JNBWACOOLPBKGF-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000776590666 585701930 /nfs/dbraw/zinc/70/19/30/585701930.db2.gz JNBWACOOLPBKGF-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO COc1ccccc1OC(=O)Cc1c[nH+]cn1C ZINC000776615633 585702574 /nfs/dbraw/zinc/70/25/74/585702574.db2.gz ZODZRXPQCLOTER-UHFFFAOYSA-N 1 2 246.266 1.577 20 0 BDADLO CC(C)CONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000776676827 585703065 /nfs/dbraw/zinc/70/30/65/585703065.db2.gz RFRCHPWZMXJGTD-JTQLQIEISA-N 1 2 237.303 1.149 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2cnnc2)on1 ZINC000776757709 585704330 /nfs/dbraw/zinc/70/43/30/585704330.db2.gz WTPTXPACXWKVTQ-JTQLQIEISA-N 1 2 233.275 1.369 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2Cn2cnnc2)on1 ZINC000776757709 585704331 /nfs/dbraw/zinc/70/43/31/585704331.db2.gz WTPTXPACXWKVTQ-JTQLQIEISA-N 1 2 233.275 1.369 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1Cn1cnnc1 ZINC000776762601 585704715 /nfs/dbraw/zinc/70/47/15/585704715.db2.gz DIAGJQLJWPXAPS-JTQLQIEISA-N 1 2 214.272 1.812 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1Cn1cnnc1 ZINC000776762601 585704716 /nfs/dbraw/zinc/70/47/16/585704716.db2.gz DIAGJQLJWPXAPS-JTQLQIEISA-N 1 2 214.272 1.812 20 0 BDADLO CSCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000776934724 585706938 /nfs/dbraw/zinc/70/69/38/585706938.db2.gz IKAKRODOQOQIGU-UHFFFAOYSA-N 1 2 249.339 1.817 20 0 BDADLO CS/C=C/C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777457532 585712793 /nfs/dbraw/zinc/71/27/93/585712793.db2.gz QUFCQIYAUFMFMA-VGANXODHSA-N 1 2 237.328 1.950 20 0 BDADLO Cn1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000777457708 585712988 /nfs/dbraw/zinc/71/29/88/585712988.db2.gz VPCSDYVVYPJFRS-JTQLQIEISA-N 1 2 245.286 1.121 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CC2OCCO2)no1 ZINC000777539169 585714495 /nfs/dbraw/zinc/71/44/95/585714495.db2.gz CTOGKCZSWOIXER-NSHDSACASA-N 1 2 238.287 1.493 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CC2OCCO2)no1 ZINC000777539169 585714496 /nfs/dbraw/zinc/71/44/96/585714496.db2.gz CTOGKCZSWOIXER-NSHDSACASA-N 1 2 238.287 1.493 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)C1 ZINC000777966556 585724697 /nfs/dbraw/zinc/72/46/97/585724697.db2.gz NLEOJZUVIHANBR-UTUOFQBUSA-N 1 2 242.338 1.882 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)C1 ZINC000777966556 585724698 /nfs/dbraw/zinc/72/46/98/585724698.db2.gz NLEOJZUVIHANBR-UTUOFQBUSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C(=O)CC23CCC3)C[C@@H]1F ZINC000777965119 585724738 /nfs/dbraw/zinc/72/47/38/585724738.db2.gz UVDAXRXPJPVFGA-MNOVXSKESA-N 1 2 240.322 1.779 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C(=O)CC23CCC3)C[C@@H]1F ZINC000777965119 585724739 /nfs/dbraw/zinc/72/47/39/585724739.db2.gz UVDAXRXPJPVFGA-MNOVXSKESA-N 1 2 240.322 1.779 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCSC2=S)C[C@@H]1F ZINC000777965649 585724925 /nfs/dbraw/zinc/72/49/25/585724925.db2.gz BRSOMMXAONQCOP-BDAKNGLRSA-N 1 2 248.392 1.958 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCSC2=S)C[C@@H]1F ZINC000777965649 585724926 /nfs/dbraw/zinc/72/49/26/585724926.db2.gz BRSOMMXAONQCOP-BDAKNGLRSA-N 1 2 248.392 1.958 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000778239484 585729097 /nfs/dbraw/zinc/72/90/97/585729097.db2.gz YPIBYLXRSCURPX-UNTSQOIXSA-N 1 2 229.295 1.786 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000778239484 585729098 /nfs/dbraw/zinc/72/90/98/585729098.db2.gz YPIBYLXRSCURPX-UNTSQOIXSA-N 1 2 229.295 1.786 20 0 BDADLO O=C(C[N@H+]1CC=CCC1)Nc1ccc(O)cc1 ZINC000778968080 585743139 /nfs/dbraw/zinc/74/31/39/585743139.db2.gz WWMVAEFUDKBUHU-UHFFFAOYSA-N 1 2 232.283 1.593 20 0 BDADLO O=C(C[N@@H+]1CC=CCC1)Nc1ccc(O)cc1 ZINC000778968080 585743140 /nfs/dbraw/zinc/74/31/40/585743140.db2.gz WWMVAEFUDKBUHU-UHFFFAOYSA-N 1 2 232.283 1.593 20 0 BDADLO CCCS(=O)(=O)CC[N@H+]1CC=CCC1 ZINC000778965738 585743256 /nfs/dbraw/zinc/74/32/56/585743256.db2.gz FTFIVKSZIKYJHK-UHFFFAOYSA-N 1 2 217.334 1.073 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3ccc(F)nc3)CCN12 ZINC000779157528 585746312 /nfs/dbraw/zinc/74/63/12/585746312.db2.gz ZUMYZNPPGJOTRE-NSHDSACASA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3ccc(F)nc3)CCN12 ZINC000779157528 585746313 /nfs/dbraw/zinc/74/63/13/585746313.db2.gz ZUMYZNPPGJOTRE-NSHDSACASA-N 1 2 249.289 1.027 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccoc1 ZINC000779198712 585746705 /nfs/dbraw/zinc/74/67/05/585746705.db2.gz LABXPRNUDGUNMG-LBPRGKRZSA-N 1 2 221.256 1.561 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccoc1 ZINC000779198712 585746706 /nfs/dbraw/zinc/74/67/06/585746706.db2.gz LABXPRNUDGUNMG-LBPRGKRZSA-N 1 2 221.256 1.561 20 0 BDADLO CCC/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779215849 585747415 /nfs/dbraw/zinc/74/74/15/585747415.db2.gz QKEIAFHLURSPDW-ZWNMCFTASA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc2c(c1)CCO2 ZINC000779422108 585754600 /nfs/dbraw/zinc/75/46/00/585754600.db2.gz WUFGGALNEDGPFT-VIFPVBQESA-N 1 2 207.273 1.804 20 0 BDADLO CON(C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000779710791 585759452 /nfs/dbraw/zinc/75/94/52/585759452.db2.gz LIZVRNGIFMSJHU-UHFFFAOYSA-N 1 2 236.319 1.568 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000779748185 585760663 /nfs/dbraw/zinc/76/06/63/585760663.db2.gz OKBVMSSPYDKTGS-VIFPVBQESA-N 1 2 237.303 1.105 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000779764058 585761450 /nfs/dbraw/zinc/76/14/50/585761450.db2.gz NJDDOGHLKCDAAU-JTQLQIEISA-N 1 2 247.298 1.600 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CCc2ccccc21 ZINC000780294843 585777224 /nfs/dbraw/zinc/77/72/24/585777224.db2.gz VWULVJPUXNJNLV-GFCCVEGCSA-N 1 2 242.326 1.967 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CCc2ccccc21 ZINC000780294843 585777225 /nfs/dbraw/zinc/77/72/25/585777225.db2.gz VWULVJPUXNJNLV-GFCCVEGCSA-N 1 2 242.326 1.967 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCC=CO1 ZINC000781478879 585796750 /nfs/dbraw/zinc/79/67/50/585796750.db2.gz FLFNHFYUQZSFJQ-LLVKDONJSA-N 1 2 235.287 1.082 20 0 BDADLO C[C@@H](CO)SCc1cc[nH+]c(N(C)C)c1 ZINC000782113380 585807811 /nfs/dbraw/zinc/80/78/11/585807811.db2.gz ZMWCURWUYAOUAW-VIFPVBQESA-N 1 2 226.345 1.762 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC000782174400 585809456 /nfs/dbraw/zinc/80/94/56/585809456.db2.gz KCGIDWHDRIPTCB-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000782174400 585809457 /nfs/dbraw/zinc/80/94/57/585809457.db2.gz KCGIDWHDRIPTCB-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cs1 ZINC000782610099 585821848 /nfs/dbraw/zinc/82/18/48/585821848.db2.gz UIILAGWCIJVXIH-GXSJLCMTSA-N 1 2 224.329 1.266 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cs1 ZINC000782610099 585821849 /nfs/dbraw/zinc/82/18/49/585821849.db2.gz UIILAGWCIJVXIH-GXSJLCMTSA-N 1 2 224.329 1.266 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC000782609853 585821851 /nfs/dbraw/zinc/82/18/51/585821851.db2.gz RZHIDFYWUXQKFH-OIBJUYFYSA-N 1 2 244.747 1.611 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC000782609853 585821852 /nfs/dbraw/zinc/82/18/52/585821852.db2.gz RZHIDFYWUXQKFH-OIBJUYFYSA-N 1 2 244.747 1.611 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782617259 585822459 /nfs/dbraw/zinc/82/24/59/585822459.db2.gz DNMRRHNNYKEGTL-LOWVWBTDSA-N 1 2 241.331 1.032 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782617259 585822460 /nfs/dbraw/zinc/82/24/60/585822460.db2.gz DNMRRHNNYKEGTL-LOWVWBTDSA-N 1 2 241.331 1.032 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1nccn1C(F)F)C2 ZINC000782622712 585822971 /nfs/dbraw/zinc/82/29/71/585822971.db2.gz YITRUDVNKZAGJO-GZMMTYOYSA-N 1 2 243.257 1.092 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nccn1C(F)F)C2 ZINC000782622712 585822972 /nfs/dbraw/zinc/82/29/72/585822972.db2.gz YITRUDVNKZAGJO-GZMMTYOYSA-N 1 2 243.257 1.092 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000782630204 585823307 /nfs/dbraw/zinc/82/33/07/585823307.db2.gz YMRPBBLDEBCBIS-WHOHXGKFSA-N 1 2 243.347 1.826 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000782630204 585823308 /nfs/dbraw/zinc/82/33/08/585823308.db2.gz YMRPBBLDEBCBIS-WHOHXGKFSA-N 1 2 243.347 1.826 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cccc(F)n1 ZINC000783206256 585830684 /nfs/dbraw/zinc/83/06/84/585830684.db2.gz SPFNAKGPMLTNME-UHFFFAOYSA-N 1 2 235.218 1.274 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1ccc(N(C)CCO)c[nH+]1 ZINC000783273847 585832884 /nfs/dbraw/zinc/83/28/84/585832884.db2.gz BKIFEEOOPQVZPP-PWSUYJOCSA-N 1 2 235.331 1.721 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cn1 ZINC000783734035 585840909 /nfs/dbraw/zinc/84/09/09/585840909.db2.gz QFODOQHLERPZLB-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cn1 ZINC000783734035 585840910 /nfs/dbraw/zinc/84/09/10/585840910.db2.gz QFODOQHLERPZLB-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO C/C=C(/C)C(=O)OCCCn1cc[nH+]c1 ZINC000784038581 585847573 /nfs/dbraw/zinc/84/75/73/585847573.db2.gz LBUQMVPLBIKASC-KMKOMSMNSA-N 1 2 208.261 1.783 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000784446982 585859979 /nfs/dbraw/zinc/85/99/79/585859979.db2.gz VDGFTDOPRJUXOS-GZMMTYOYSA-N 1 2 239.294 1.377 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000784446982 585859980 /nfs/dbraw/zinc/85/99/80/585859980.db2.gz VDGFTDOPRJUXOS-GZMMTYOYSA-N 1 2 239.294 1.377 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)/C=C\C1CC1 ZINC000784905163 585868231 /nfs/dbraw/zinc/86/82/31/585868231.db2.gz BZZNORJWBLPRDK-DOGVGXBMSA-N 1 2 239.315 1.217 20 0 BDADLO CC(F)(F)CC(=O)OCCCn1cc[nH+]c1 ZINC000784967845 585869075 /nfs/dbraw/zinc/86/90/75/585869075.db2.gz AHOQTZASGBMZLT-UHFFFAOYSA-N 1 2 232.230 1.862 20 0 BDADLO CC(C)OCc1noc(C[N@H+](C)C2CC2)n1 ZINC000785558284 585875569 /nfs/dbraw/zinc/87/55/69/585875569.db2.gz DSSWFCQYWVMRHM-UHFFFAOYSA-N 1 2 225.292 1.589 20 0 BDADLO CC(C)OCc1noc(C[N@@H+](C)C2CC2)n1 ZINC000785558284 585875570 /nfs/dbraw/zinc/87/55/70/585875570.db2.gz DSSWFCQYWVMRHM-UHFFFAOYSA-N 1 2 225.292 1.589 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)C1CC1 ZINC000785738308 585879480 /nfs/dbraw/zinc/87/94/80/585879480.db2.gz ZHRCDRJKUORUIO-UWVGGRQHSA-N 1 2 239.315 1.382 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC=CO1 ZINC000787055409 585900581 /nfs/dbraw/zinc/90/05/81/585900581.db2.gz YJRHGVNQNCMJPY-SNVBAGLBSA-N 1 2 222.244 1.119 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(F)nc1C ZINC000787125580 585901795 /nfs/dbraw/zinc/90/17/95/585901795.db2.gz SFJPVEGACKQESF-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(F)nc1C ZINC000787125580 585901796 /nfs/dbraw/zinc/90/17/96/585901796.db2.gz SFJPVEGACKQESF-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CCc1nn(C)cc1CN(C)Cc1[nH]cc[nH+]1 ZINC000787770227 585915547 /nfs/dbraw/zinc/91/55/47/585915547.db2.gz OWBKUZFFEYGHIR-UHFFFAOYSA-N 1 2 233.319 1.338 20 0 BDADLO CN(Cc1nc2c(s1)CCC2)Cc1[nH]cc[nH+]1 ZINC000787769803 585915742 /nfs/dbraw/zinc/91/57/42/585915742.db2.gz JHBOLZOZFDPUSQ-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CCC1=O ZINC000788461458 585925021 /nfs/dbraw/zinc/92/50/21/585925021.db2.gz WZKKGSITCPAKFZ-LLVKDONJSA-N 1 2 247.342 1.559 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CCC1=O ZINC000788461458 585925022 /nfs/dbraw/zinc/92/50/22/585925022.db2.gz WZKKGSITCPAKFZ-LLVKDONJSA-N 1 2 247.342 1.559 20 0 BDADLO COC[C@@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC000789574163 585944313 /nfs/dbraw/zinc/94/43/13/585944313.db2.gz BJENUPOIUZDSTH-GFCCVEGCSA-N 1 2 243.347 1.877 20 0 BDADLO CCOCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789604315 585945943 /nfs/dbraw/zinc/94/59/43/585945943.db2.gz BDSDYGXQBFDBAF-SECBINFHSA-N 1 2 216.281 1.090 20 0 BDADLO CC[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000789777764 585949688 /nfs/dbraw/zinc/94/96/88/585949688.db2.gz WIQOPWWJXTXHHL-VIFPVBQESA-N 1 2 210.277 1.552 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1=COCCC1 ZINC000789777195 585949759 /nfs/dbraw/zinc/94/97/59/585949759.db2.gz PFVDKEFQKQGAMQ-UHFFFAOYSA-N 1 2 236.271 1.200 20 0 BDADLO C[NH+](C)[C@@H](C(=O)Nc1cn[nH]n1)c1ccccc1 ZINC000789926664 585953598 /nfs/dbraw/zinc/95/35/98/585953598.db2.gz UVXDJOQAZDBPEU-LLVKDONJSA-N 1 2 245.286 1.046 20 0 BDADLO C[NH+](C)[C@@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789926664 585953599 /nfs/dbraw/zinc/95/35/99/585953599.db2.gz UVXDJOQAZDBPEU-LLVKDONJSA-N 1 2 245.286 1.046 20 0 BDADLO c1c[nH+]c(COC[C@@H]2COc3ccccc3O2)[nH]1 ZINC000789965571 585954883 /nfs/dbraw/zinc/95/48/83/585954883.db2.gz CPJURVNHIIRPEP-SNVBAGLBSA-N 1 2 246.266 1.766 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCc1ncccn1 ZINC000790509214 585965668 /nfs/dbraw/zinc/96/56/68/585965668.db2.gz VVGJZYOVSRMREN-UHFFFAOYSA-N 1 2 243.270 1.113 20 0 BDADLO CCC1=C(C(=O)Nc2cc[nH+]cc2O)CCCO1 ZINC000790827867 585970115 /nfs/dbraw/zinc/97/01/15/585970115.db2.gz JYYYSRKYLRHKKI-UHFFFAOYSA-N 1 2 248.282 1.622 20 0 BDADLO CCN(C)c1ccc(C[NH2+]Cc2ccon2)cn1 ZINC000790972937 585971184 /nfs/dbraw/zinc/97/11/84/585971184.db2.gz KSRCRJGUCBGGFP-UHFFFAOYSA-N 1 2 246.314 1.816 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)nn1C ZINC000791761354 585987604 /nfs/dbraw/zinc/98/76/04/585987604.db2.gz LZXDXJYYFHPHJR-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CCCOC2)cc[nH+]1 ZINC000791837099 585989098 /nfs/dbraw/zinc/98/90/98/585989098.db2.gz AZGWEGXGFYRSDS-SNVBAGLBSA-N 1 2 236.271 1.134 20 0 BDADLO CCc1ocnc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791930527 585991901 /nfs/dbraw/zinc/99/19/01/585991901.db2.gz MWCAXEHHPMQGOS-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO Nc1cc(COC(=O)[C@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000791996006 585993108 /nfs/dbraw/zinc/99/31/08/585993108.db2.gz VYFSLHJZNGUZDK-QWRGUYRKSA-N 1 2 232.283 1.753 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000791996008 585993177 /nfs/dbraw/zinc/99/31/77/585993177.db2.gz VYFSLHJZNGUZDK-WDEREUQCSA-N 1 2 232.283 1.753 20 0 BDADLO Nc1cc(COC(=O)c2cncc(F)c2)cc[nH+]1 ZINC000792025976 585994006 /nfs/dbraw/zinc/99/40/06/585994006.db2.gz WJJASEDDKXMVII-UHFFFAOYSA-N 1 2 247.229 1.555 20 0 BDADLO CC[C@@H](C)OCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792048913 585995044 /nfs/dbraw/zinc/99/50/44/585995044.db2.gz GORIYXWDDANDAN-SECBINFHSA-N 1 2 238.287 1.522 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000839815108 585996535 /nfs/dbraw/zinc/99/65/35/585996535.db2.gz VYZFCYNQBZRICA-JTQLQIEISA-N 1 2 229.283 1.863 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1Cc1ccc(F)nc1 ZINC000792186150 585997177 /nfs/dbraw/zinc/99/71/77/585997177.db2.gz HJUZCQKSMZDPLR-VIFPVBQESA-N 1 2 247.277 1.389 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1ccc(F)nc1 ZINC000792186150 585997178 /nfs/dbraw/zinc/99/71/78/585997178.db2.gz HJUZCQKSMZDPLR-VIFPVBQESA-N 1 2 247.277 1.389 20 0 BDADLO Cc1coc(C)c1C(=O)OCc1c[nH+]cn1C ZINC000793163639 586012576 /nfs/dbraw/zinc/01/25/76/586012576.db2.gz RWPCBPDTSMODEY-UHFFFAOYSA-N 1 2 234.255 1.987 20 0 BDADLO CSC[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793251889 586014318 /nfs/dbraw/zinc/01/43/18/586014318.db2.gz BPUVHTVCKJWRNY-SECBINFHSA-N 1 2 242.344 1.505 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)oc1C ZINC000793324965 586017029 /nfs/dbraw/zinc/01/70/29/586017029.db2.gz YPFQILPZVNJFTB-SECBINFHSA-N 1 2 225.288 1.890 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)oc1C ZINC000793324965 586017030 /nfs/dbraw/zinc/01/70/30/586017030.db2.gz YPFQILPZVNJFTB-SECBINFHSA-N 1 2 225.288 1.890 20 0 BDADLO S=c1ncccn1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793619707 586024151 /nfs/dbraw/zinc/02/41/51/586024151.db2.gz UWYHKNLTUIFPGB-DTWKUNHWSA-N 1 2 223.301 1.043 20 0 BDADLO S=c1ncccn1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793619707 586024152 /nfs/dbraw/zinc/02/41/52/586024152.db2.gz UWYHKNLTUIFPGB-DTWKUNHWSA-N 1 2 223.301 1.043 20 0 BDADLO NC(Cc1cccs1)=[NH+]OC[C@@H]1CCCO1 ZINC000794520725 586041564 /nfs/dbraw/zinc/04/15/64/586041564.db2.gz PGGPUCPAPHETNG-VIFPVBQESA-N 1 2 240.328 1.968 20 0 BDADLO Cc1nc(CC(N)=[NH+]O[C@@H]2CCOC2)cs1 ZINC000794521663 586041763 /nfs/dbraw/zinc/04/17/63/586041763.db2.gz XAPKYNPXMHNOHE-SECBINFHSA-N 1 2 241.316 1.281 20 0 BDADLO NC(=[NH+]OC[C@H]1CCCO1)c1cccc(F)c1 ZINC000794521725 586041816 /nfs/dbraw/zinc/04/18/16/586041816.db2.gz YFEMEVPVYXYROT-LLVKDONJSA-N 1 2 238.262 1.851 20 0 BDADLO CC1(C)CN(C[NH+]2CCC(F)(F)CC2)C(=O)O1 ZINC000794685806 586046748 /nfs/dbraw/zinc/04/67/48/586046748.db2.gz KEFAOZINOOTWMM-UHFFFAOYSA-N 1 2 248.273 1.906 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCF ZINC000795144033 586069130 /nfs/dbraw/zinc/06/91/30/586069130.db2.gz REPGKKFGQGTEKU-GHMZBOCLSA-N 1 2 244.354 1.923 20 0 BDADLO Cc1oncc1CN1CCc2[nH+]c[nH]c2C1 ZINC000859307695 589029903 /nfs/dbraw/zinc/02/99/03/589029903.db2.gz HCNPQDHBZGZZNN-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO CCc1nc(C(=O)OCc2c[nH+]cn2C)c(C)o1 ZINC000797106132 586120313 /nfs/dbraw/zinc/12/03/13/586120313.db2.gz VCYYDEXCAPKASP-UHFFFAOYSA-N 1 2 249.270 1.636 20 0 BDADLO C1=CO[C@@H](C[NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000798183882 586139195 /nfs/dbraw/zinc/13/91/95/586139195.db2.gz OMHOHPXXWFFRKM-SNVBAGLBSA-N 1 2 235.287 1.729 20 0 BDADLO CC(=O)CCCCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798845370 586151238 /nfs/dbraw/zinc/15/12/38/586151238.db2.gz LDGKNVXIUPCWRV-GFCCVEGCSA-N 1 2 243.347 1.875 20 0 BDADLO FC(F)(F)c1cc(C[NH2+]Cc2cocn2)[nH]n1 ZINC000799335428 586171939 /nfs/dbraw/zinc/17/19/39/586171939.db2.gz CFWYWDWGDXJJBK-UHFFFAOYSA-N 1 2 246.192 1.706 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@]23CCOC3)co1 ZINC000799737346 586195789 /nfs/dbraw/zinc/19/57/89/586195789.db2.gz BIHFCIGRCLZDOL-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@]23CCOC3)co1 ZINC000799737346 586195790 /nfs/dbraw/zinc/19/57/90/586195790.db2.gz BIHFCIGRCLZDOL-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO CC(C)(C)[C@@H](O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000799887015 586200987 /nfs/dbraw/zinc/20/09/87/586200987.db2.gz JZTMRCJHIAXMQQ-JTQLQIEISA-N 1 2 238.287 1.114 20 0 BDADLO CCCC[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000800276822 586208448 /nfs/dbraw/zinc/20/84/48/586208448.db2.gz DRAOSNUXGQNJPS-LBPRGKRZSA-N 1 2 243.347 1.688 20 0 BDADLO CCC(CC)(CCO)[NH2+]CC(=O)OCC(C)C ZINC000801587537 586265203 /nfs/dbraw/zinc/26/52/03/586265203.db2.gz QSZFHUGTXHKSPR-UHFFFAOYSA-N 1 2 245.363 1.716 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000839950723 586285521 /nfs/dbraw/zinc/28/55/21/586285521.db2.gz SNEWWRDWUPZWCX-KXNHARMFSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000839950723 586285522 /nfs/dbraw/zinc/28/55/22/586285522.db2.gz SNEWWRDWUPZWCX-KXNHARMFSA-N 1 2 238.331 1.064 20 0 BDADLO CC1(C)C[C@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802235411 586297157 /nfs/dbraw/zinc/29/71/57/586297157.db2.gz MHPFACQXVVQLAC-ZJUUUORDSA-N 1 2 229.295 1.620 20 0 BDADLO CC1(C)C[C@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802235411 586297159 /nfs/dbraw/zinc/29/71/59/586297159.db2.gz MHPFACQXVVQLAC-ZJUUUORDSA-N 1 2 229.295 1.620 20 0 BDADLO COCC(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802237729 586297697 /nfs/dbraw/zinc/29/76/97/586297697.db2.gz JLCKJYGPEUFLSN-SNVBAGLBSA-N 1 2 247.310 1.246 20 0 BDADLO COCC(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802237729 586297698 /nfs/dbraw/zinc/29/76/98/586297698.db2.gz JLCKJYGPEUFLSN-SNVBAGLBSA-N 1 2 247.310 1.246 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CC12CCC2 ZINC000802236029 586297973 /nfs/dbraw/zinc/29/79/73/586297973.db2.gz FEYRYYVANYZTBB-WDEREUQCSA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CC12CCC2 ZINC000802236029 586297976 /nfs/dbraw/zinc/29/79/76/586297976.db2.gz FEYRYYVANYZTBB-WDEREUQCSA-N 1 2 241.306 1.764 20 0 BDADLO CO[C@@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)C(C)C ZINC000802236800 586298205 /nfs/dbraw/zinc/29/82/05/586298205.db2.gz RULBRKHJVWSQNS-GHMZBOCLSA-N 1 2 247.310 1.244 20 0 BDADLO CO[C@@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)C(C)C ZINC000802236800 586298207 /nfs/dbraw/zinc/29/82/07/586298207.db2.gz RULBRKHJVWSQNS-GHMZBOCLSA-N 1 2 247.310 1.244 20 0 BDADLO C[C@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802232744 586298328 /nfs/dbraw/zinc/29/83/28/586298328.db2.gz UAJHJXJJBSQUHI-ONGXEEELSA-N 1 2 229.295 1.620 20 0 BDADLO C[C@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802232744 586298329 /nfs/dbraw/zinc/29/83/29/586298329.db2.gz UAJHJXJJBSQUHI-ONGXEEELSA-N 1 2 229.295 1.620 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCSC1 ZINC000802239074 586298744 /nfs/dbraw/zinc/29/87/44/586298744.db2.gz RVWKLRWPFLEZAC-ZJUUUORDSA-N 1 2 247.335 1.327 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCSC1 ZINC000802239074 586298745 /nfs/dbraw/zinc/29/87/45/586298745.db2.gz RVWKLRWPFLEZAC-ZJUUUORDSA-N 1 2 247.335 1.327 20 0 BDADLO CS[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802242734 586299363 /nfs/dbraw/zinc/29/93/63/586299363.db2.gz PJVWTHSKNCPKCV-RKDXNWHRSA-N 1 2 235.324 1.325 20 0 BDADLO CS[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802242734 586299365 /nfs/dbraw/zinc/29/93/65/586299365.db2.gz PJVWTHSKNCPKCV-RKDXNWHRSA-N 1 2 235.324 1.325 20 0 BDADLO FC(F)[C@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000802653993 586307499 /nfs/dbraw/zinc/30/74/99/586307499.db2.gz BVSJPBBMIPGGNA-VHSXEESVSA-N 1 2 233.258 1.645 20 0 BDADLO FC(F)[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000802653993 586307501 /nfs/dbraw/zinc/30/75/01/586307501.db2.gz BVSJPBBMIPGGNA-VHSXEESVSA-N 1 2 233.258 1.645 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1CC1(C)C ZINC000802785747 586314110 /nfs/dbraw/zinc/31/41/10/586314110.db2.gz FBTCHRXVQJTOCY-JTQLQIEISA-N 1 2 236.315 1.942 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)/C=C\C1CC1 ZINC000802789604 586314169 /nfs/dbraw/zinc/31/41/69/586314169.db2.gz BESZZHCGSOIVQS-SREVYHEPSA-N 1 2 234.299 1.862 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C1(C)CC1 ZINC000802787138 586314258 /nfs/dbraw/zinc/31/42/58/586314258.db2.gz ABQUCXARNQRLLD-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO Cc1ncc(COC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000803360744 586347462 /nfs/dbraw/zinc/34/74/62/586347462.db2.gz FNIXVFVPMYRXNF-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1ncc(COC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000803360744 586347464 /nfs/dbraw/zinc/34/74/64/586347464.db2.gz FNIXVFVPMYRXNF-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO CC(C)[C@H](C(=O)O[C@@H]1CCCCC1=O)[NH+](C)C ZINC000803701662 586370237 /nfs/dbraw/zinc/37/02/37/586370237.db2.gz GHAIGVTVBCPQSQ-VXGBXAGGSA-N 1 2 241.331 1.628 20 0 BDADLO O=C(COC(F)F)OCCCn1cc[nH+]c1 ZINC000803733803 586371750 /nfs/dbraw/zinc/37/17/50/586371750.db2.gz RCMMJGFVJRSBMY-UHFFFAOYSA-N 1 2 234.202 1.056 20 0 BDADLO CS/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804334835 586390915 /nfs/dbraw/zinc/39/09/15/586390915.db2.gz KOSIWJYBWMAYFG-MOVJSRMASA-N 1 2 237.328 1.191 20 0 BDADLO O=C(/C=C\C1CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804334068 586391724 /nfs/dbraw/zinc/39/17/24/586391724.db2.gz XQPRCRNMCYLRQQ-ZTYXWKCZSA-N 1 2 231.299 1.280 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804338031 586392395 /nfs/dbraw/zinc/39/23/95/586392395.db2.gz GRPFHDUKMPTOKJ-MWLCHTKSSA-N 1 2 239.294 1.308 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(=O)C(C)(C)C)[C@H](C)C1 ZINC000804381541 586394686 /nfs/dbraw/zinc/39/46/86/586394686.db2.gz PYGKQBOXURXJMN-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(=O)C(C)(C)C)[C@H](C)C1 ZINC000804381541 586394688 /nfs/dbraw/zinc/39/46/88/586394688.db2.gz PYGKQBOXURXJMN-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CSc1cnc(NCc2ccc(N)[nH+]c2)nc1 ZINC000804647487 586404505 /nfs/dbraw/zinc/40/45/05/586404505.db2.gz SSVWKPAJFWNENW-UHFFFAOYSA-N 1 2 247.327 1.788 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@H](C)C2)n1 ZINC000843145050 586434187 /nfs/dbraw/zinc/43/41/87/586434187.db2.gz SFYSXRJLNXEXEV-RKDXNWHRSA-N 1 2 225.292 1.462 20 0 BDADLO CC[NH2+]Cc1noc(/C=C/c2cnccn2)n1 ZINC000843145478 586445364 /nfs/dbraw/zinc/44/53/64/586445364.db2.gz NCYHXOGECDJMAN-ONEGZZNKSA-N 1 2 231.259 1.140 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000840099512 586445633 /nfs/dbraw/zinc/44/56/33/586445633.db2.gz NHNPPLFMBROOFI-JQWIXIFHSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000840099512 586445634 /nfs/dbraw/zinc/44/56/34/586445634.db2.gz NHNPPLFMBROOFI-JQWIXIFHSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000840099509 586445868 /nfs/dbraw/zinc/44/58/68/586445868.db2.gz NHNPPLFMBROOFI-CMPLNLGQSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000840099509 586445869 /nfs/dbraw/zinc/44/58/69/586445869.db2.gz NHNPPLFMBROOFI-CMPLNLGQSA-N 1 2 228.311 1.636 20 0 BDADLO F[C@@H]1CC[N@H+](CN2CCSC2=S)C1 ZINC000840104003 586447060 /nfs/dbraw/zinc/44/70/60/586447060.db2.gz QHVLZEWDBXFQCG-SSDOTTSWSA-N 1 2 220.338 1.321 20 0 BDADLO F[C@@H]1CC[N@@H+](CN2CCSC2=S)C1 ZINC000840104003 586447062 /nfs/dbraw/zinc/44/70/62/586447062.db2.gz QHVLZEWDBXFQCG-SSDOTTSWSA-N 1 2 220.338 1.321 20 0 BDADLO CS[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000840117365 586449267 /nfs/dbraw/zinc/44/92/67/586449267.db2.gz UZROXEKJOBIMRN-MRVPVSSYSA-N 1 2 244.389 1.346 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000840117365 586449268 /nfs/dbraw/zinc/44/92/68/586449268.db2.gz UZROXEKJOBIMRN-MRVPVSSYSA-N 1 2 244.389 1.346 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cnnn2C)[nH+]1 ZINC000808116437 586464239 /nfs/dbraw/zinc/46/42/39/586464239.db2.gz URVDXUMWUCFRIO-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BDADLO CC1(C)CC(=O)N(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000808163947 586465794 /nfs/dbraw/zinc/46/57/94/586465794.db2.gz BRADDSKKRXUKBS-PHIMTYICSA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)CC(=O)N(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000808163947 586465796 /nfs/dbraw/zinc/46/57/96/586465796.db2.gz BRADDSKKRXUKBS-PHIMTYICSA-N 1 2 238.331 1.066 20 0 BDADLO CCOC1CC([N@H+](C)Cn2ccsc2=O)C1 ZINC000808213898 586468282 /nfs/dbraw/zinc/46/82/82/586468282.db2.gz SIPQTJGZYLENEK-UHFFFAOYSA-N 1 2 242.344 1.367 20 0 BDADLO CCOC1CC([N@@H+](C)Cn2ccsc2=O)C1 ZINC000808213898 586468284 /nfs/dbraw/zinc/46/82/84/586468284.db2.gz SIPQTJGZYLENEK-UHFFFAOYSA-N 1 2 242.344 1.367 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000808729334 586485353 /nfs/dbraw/zinc/48/53/53/586485353.db2.gz YHMIURANLNPKON-MMPTUQATSA-N 1 2 245.388 1.443 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000808729334 586485355 /nfs/dbraw/zinc/48/53/55/586485355.db2.gz YHMIURANLNPKON-MMPTUQATSA-N 1 2 245.388 1.443 20 0 BDADLO OCCCCCC[N@@H+]1CCOCC(F)(F)C1 ZINC000808784040 586490107 /nfs/dbraw/zinc/49/01/07/586490107.db2.gz NOJABFVASPPETK-UHFFFAOYSA-N 1 2 237.290 1.507 20 0 BDADLO OCCCCCC[N@H+]1CCOCC(F)(F)C1 ZINC000808784040 586490108 /nfs/dbraw/zinc/49/01/08/586490108.db2.gz NOJABFVASPPETK-UHFFFAOYSA-N 1 2 237.290 1.507 20 0 BDADLO COCCOCC[N@H+](C)C/C(Cl)=C/Cl ZINC000808792526 586490314 /nfs/dbraw/zinc/49/03/14/586490314.db2.gz KXKOIEFMRBPJLT-CLFYSBASSA-N 1 2 242.146 1.900 20 0 BDADLO COCCOCC[N@@H+](C)C/C(Cl)=C/Cl ZINC000808792526 586490315 /nfs/dbraw/zinc/49/03/15/586490315.db2.gz KXKOIEFMRBPJLT-CLFYSBASSA-N 1 2 242.146 1.900 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ocnc1C1CC1 ZINC000808990565 586491441 /nfs/dbraw/zinc/49/14/41/586491441.db2.gz VHGFHWVFYHAZHO-UHFFFAOYSA-N 1 2 247.254 1.643 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C(F)F ZINC000809061801 586494819 /nfs/dbraw/zinc/49/48/19/586494819.db2.gz IZQAOFKIYIFWBS-UHFFFAOYSA-N 1 2 217.171 1.399 20 0 BDADLO c1cnn(CC[N@@H+]2Cc3ccncc3C2)c1 ZINC000809565258 586507354 /nfs/dbraw/zinc/50/73/54/586507354.db2.gz ZTIHFQALIQXGTQ-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO c1cnn(CC[N@H+]2Cc3ccncc3C2)c1 ZINC000809565258 586507356 /nfs/dbraw/zinc/50/73/56/586507356.db2.gz ZTIHFQALIQXGTQ-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000809772937 586519167 /nfs/dbraw/zinc/51/91/67/586519167.db2.gz FHPUANVRXWXTQK-NSHDSACASA-N 1 2 239.271 1.044 20 0 BDADLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccoc1 ZINC000809772937 586519168 /nfs/dbraw/zinc/51/91/68/586519168.db2.gz FHPUANVRXWXTQK-NSHDSACASA-N 1 2 239.271 1.044 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000809931422 586524061 /nfs/dbraw/zinc/52/40/61/586524061.db2.gz LIZOBSJYPIRGIF-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000809931422 586524063 /nfs/dbraw/zinc/52/40/63/586524063.db2.gz LIZOBSJYPIRGIF-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C)n2)Cc2ccccc21 ZINC000809933825 586524343 /nfs/dbraw/zinc/52/43/43/586524343.db2.gz WKKOJHZWNFODRP-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)Cc2ccccc21 ZINC000809933825 586524345 /nfs/dbraw/zinc/52/43/45/586524345.db2.gz WKKOJHZWNFODRP-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO CC[N@H+](CCC(F)(F)F)Cc1cnn(C)n1 ZINC000809940873 586525331 /nfs/dbraw/zinc/52/53/31/586525331.db2.gz OOUKABLWINONCY-UHFFFAOYSA-N 1 2 236.241 1.589 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)Cc1cnn(C)n1 ZINC000809940873 586525333 /nfs/dbraw/zinc/52/53/33/586525333.db2.gz OOUKABLWINONCY-UHFFFAOYSA-N 1 2 236.241 1.589 20 0 BDADLO Cc1ncsc1C[NH+]1CC(O)(C(C)C)C1 ZINC000809990102 586529147 /nfs/dbraw/zinc/52/91/47/586529147.db2.gz RNAXDZNAROXZST-UHFFFAOYSA-N 1 2 226.345 1.654 20 0 BDADLO Cc1[nH+]cccc1Cn1nnnc1C(C)C ZINC000809994501 586529249 /nfs/dbraw/zinc/52/92/49/586529249.db2.gz ALVSNSVVMQUVHE-UHFFFAOYSA-N 1 2 217.276 1.548 20 0 BDADLO C[C@H]1C[N@H+](CCS(C)(=O)=O)CCC1(F)F ZINC000810046381 586532734 /nfs/dbraw/zinc/53/27/34/586532734.db2.gz RIPWVXCXPAGMGT-QMMMGPOBSA-N 1 2 241.303 1.008 20 0 BDADLO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CCC1(F)F ZINC000810046381 586532736 /nfs/dbraw/zinc/53/27/36/586532736.db2.gz RIPWVXCXPAGMGT-QMMMGPOBSA-N 1 2 241.303 1.008 20 0 BDADLO C[C@@]1(NCc2c[nH+]c3ccccn23)CCOC1=O ZINC000810097610 586533942 /nfs/dbraw/zinc/53/39/42/586533942.db2.gz DUVZDPMAVKIXSO-CYBMUJFWSA-N 1 2 245.282 1.130 20 0 BDADLO CC(C)[N@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000810313280 586538396 /nfs/dbraw/zinc/53/83/96/586538396.db2.gz BEODTCNJLYHNCD-SSDOTTSWSA-N 1 2 244.232 1.343 20 0 BDADLO CC(C)[N@@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000810313280 586538397 /nfs/dbraw/zinc/53/83/97/586538397.db2.gz BEODTCNJLYHNCD-SSDOTTSWSA-N 1 2 244.232 1.343 20 0 BDADLO CC(C)[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC000810313280 586538398 /nfs/dbraw/zinc/53/83/98/586538398.db2.gz BEODTCNJLYHNCD-SSDOTTSWSA-N 1 2 244.232 1.343 20 0 BDADLO CC(C)[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC000810313280 586538399 /nfs/dbraw/zinc/53/83/99/586538399.db2.gz BEODTCNJLYHNCD-SSDOTTSWSA-N 1 2 244.232 1.343 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCCSC1 ZINC000810603126 586542305 /nfs/dbraw/zinc/54/23/05/586542305.db2.gz ZPXKHXZQRDKJRT-VIFPVBQESA-N 1 2 240.328 1.607 20 0 BDADLO OC1(c2ccccc2)C[NH+](Cc2ccoc2)C1 ZINC000811509819 586560379 /nfs/dbraw/zinc/56/03/79/586560379.db2.gz GKDWPXNDYKFRGX-UHFFFAOYSA-N 1 2 229.279 1.983 20 0 BDADLO C[C@@H](COc1ccccc1)[NH2+]NC1=[NH+]C=C([O-])C1 ZINC000811667477 586565076 /nfs/dbraw/zinc/56/50/76/586565076.db2.gz WGRYUQBSESRWIW-JTQLQIEISA-N 1 2 247.298 1.402 20 0 BDADLO CC[C@H](C)NC(=S)NCc1c[nH+]cn1C ZINC000811700594 586565756 /nfs/dbraw/zinc/56/57/56/586565756.db2.gz CTQAWDXCYAKBKN-QMMMGPOBSA-N 1 2 226.349 1.183 20 0 BDADLO CCCNC(=S)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811712332 586566078 /nfs/dbraw/zinc/56/60/78/586566078.db2.gz QBGQPKCQXPRLAV-MRVPVSSYSA-N 1 2 238.360 1.141 20 0 BDADLO CCCNC(=S)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811712332 586566079 /nfs/dbraw/zinc/56/60/79/586566079.db2.gz QBGQPKCQXPRLAV-MRVPVSSYSA-N 1 2 238.360 1.141 20 0 BDADLO CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)OC ZINC000812369390 586574878 /nfs/dbraw/zinc/57/48/78/586574878.db2.gz NJPVRMKEGOIQNC-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOC/C=C\Cl ZINC000812403922 586575996 /nfs/dbraw/zinc/57/59/96/586575996.db2.gz UFNFCIYKAMBEPB-IWQZZHSRSA-N 1 2 229.667 1.074 20 0 BDADLO CO[C@@](C)(C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000813073405 586590547 /nfs/dbraw/zinc/59/05/47/586590547.db2.gz NZBVOCJUUDIUFF-GFCCVEGCSA-N 1 2 238.287 1.278 20 0 BDADLO COC(=O)c1ccc(NCc2c[nH+]cn2C)nc1 ZINC000813607784 586604567 /nfs/dbraw/zinc/60/45/67/586604567.db2.gz UAZYFNNCFJBSAC-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cn1 ZINC000814181422 586615976 /nfs/dbraw/zinc/61/59/76/586615976.db2.gz ZWLBLNLUBMDITP-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cn1 ZINC000814181422 586615977 /nfs/dbraw/zinc/61/59/77/586615977.db2.gz ZWLBLNLUBMDITP-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO C[N@H+](Cc1ccco1)[C@H]1CC(C)(C)OC1=O ZINC000814180976 586616143 /nfs/dbraw/zinc/61/61/43/586616143.db2.gz UFLYXOHFGVZGBG-JTQLQIEISA-N 1 2 223.272 1.806 20 0 BDADLO C[N@@H+](Cc1ccco1)[C@H]1CC(C)(C)OC1=O ZINC000814180976 586616144 /nfs/dbraw/zinc/61/61/44/586616144.db2.gz UFLYXOHFGVZGBG-JTQLQIEISA-N 1 2 223.272 1.806 20 0 BDADLO Cc1nc(C(=O)OCc2cc[nH+]c(N)c2)c(C)o1 ZINC000814502615 586623356 /nfs/dbraw/zinc/62/33/56/586623356.db2.gz GNXPYZLAPIQYDF-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO O=C(NCC[NH+]1CCCC1)[C@@H](F)C(F)(F)F ZINC000814803360 586635489 /nfs/dbraw/zinc/63/54/89/586635489.db2.gz DPFQLASGKOSHPF-SSDOTTSWSA-N 1 2 242.216 1.099 20 0 BDADLO O=C(NCC[NH+]1CCCC1)C(F)C(F)(F)F ZINC000814803360 586635491 /nfs/dbraw/zinc/63/54/91/586635491.db2.gz DPFQLASGKOSHPF-SSDOTTSWSA-N 1 2 242.216 1.099 20 0 BDADLO O=Cc1c[nH]c(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000815256390 586676447 /nfs/dbraw/zinc/67/64/47/586676447.db2.gz VXVRPELPUWTLGU-UHFFFAOYSA-N 1 2 247.254 1.271 20 0 BDADLO CO[C@@H](COC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000816384385 586723514 /nfs/dbraw/zinc/72/35/14/586723514.db2.gz QCCCECBAYSDILO-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CO[C@@H](COC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000816384385 586723517 /nfs/dbraw/zinc/72/35/17/586723517.db2.gz QCCCECBAYSDILO-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO COCC[N@H+](C)Cc1cnn(C)c1Cl ZINC000816483920 586735464 /nfs/dbraw/zinc/73/54/64/586735464.db2.gz JXHPCWIWSGEETG-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO COCC[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816483920 586735467 /nfs/dbraw/zinc/73/54/67/586735467.db2.gz JXHPCWIWSGEETG-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO Cn1ncc(C[NH+]2CCSCC2)c1Cl ZINC000816483698 586735665 /nfs/dbraw/zinc/73/56/65/586735665.db2.gz BMEKBHHNKRUWSL-UHFFFAOYSA-N 1 2 231.752 1.622 20 0 BDADLO CC[N@H+](CCOC)Cc1cnn(C)c1Cl ZINC000816484690 586736187 /nfs/dbraw/zinc/73/61/87/586736187.db2.gz LHRQPDFUFOTDRY-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CC[N@@H+](CCOC)Cc1cnn(C)c1Cl ZINC000816484690 586736189 /nfs/dbraw/zinc/73/61/89/586736189.db2.gz LHRQPDFUFOTDRY-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000816586118 586743312 /nfs/dbraw/zinc/74/33/12/586743312.db2.gz ALQGPNGJZRDTLX-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000816586118 586743314 /nfs/dbraw/zinc/74/33/14/586743314.db2.gz ALQGPNGJZRDTLX-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO COC(=O)c1cc(C[N@H+](C)CCF)cn1C ZINC000816640122 586746111 /nfs/dbraw/zinc/74/61/11/586746111.db2.gz VJTZKKQCSLWBAJ-UHFFFAOYSA-N 1 2 228.267 1.213 20 0 BDADLO COC(=O)c1cc(C[N@@H+](C)CCF)cn1C ZINC000816640122 586746113 /nfs/dbraw/zinc/74/61/13/586746113.db2.gz VJTZKKQCSLWBAJ-UHFFFAOYSA-N 1 2 228.267 1.213 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccnc1 ZINC000816822284 586766105 /nfs/dbraw/zinc/76/61/05/586766105.db2.gz GQPNLCVFGJYHDB-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO CCc1nnc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000816840237 586767863 /nfs/dbraw/zinc/76/78/63/586767863.db2.gz HERQGDDJYYXBIM-UHFFFAOYSA-N 1 2 237.288 1.005 20 0 BDADLO CCC[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816869068 586769005 /nfs/dbraw/zinc/76/90/05/586769005.db2.gz GQPDXKHIQKOERN-VIFPVBQESA-N 1 2 209.293 1.599 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816869067 586769133 /nfs/dbraw/zinc/76/91/33/586769133.db2.gz GQPDXKHIQKOERN-SECBINFHSA-N 1 2 209.293 1.599 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000816938176 586771813 /nfs/dbraw/zinc/77/18/13/586771813.db2.gz TUMAFVHXFXLSSL-MNOVXSKESA-N 1 2 233.315 1.743 20 0 BDADLO CCOC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000816973081 586775549 /nfs/dbraw/zinc/77/55/49/586775549.db2.gz HJVGQEZAXGEKRG-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@H](C)CONC(=O)Cc1c[nH+]cn1C ZINC000816977215 586776907 /nfs/dbraw/zinc/77/69/07/586776907.db2.gz UJTGKYCUMLIWHJ-VIFPVBQESA-N 1 2 225.292 1.057 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1nn(C)cc1Cl ZINC000817379015 586799282 /nfs/dbraw/zinc/79/92/82/586799282.db2.gz SBGKFTOMYXDLAJ-LURJTMIESA-N 1 2 246.698 1.107 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NOCCC1CC1 ZINC000817398998 586800702 /nfs/dbraw/zinc/80/07/02/586800702.db2.gz ASJFOCIDSQTARF-UHFFFAOYSA-N 1 2 237.303 1.201 20 0 BDADLO Cc1cc(CNC(=O)C(F)(F)F)cc(C)[nH+]1 ZINC000817619208 586813193 /nfs/dbraw/zinc/81/31/93/586813193.db2.gz OLZGWIFQVCPAOH-UHFFFAOYSA-N 1 2 232.205 1.877 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccncc2)n1 ZINC000818116433 586875449 /nfs/dbraw/zinc/87/54/49/586875449.db2.gz KQWPJPGZRUCEIO-SNVBAGLBSA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nc(C)c(C[NH2+]CC2(F)CC2)n1 ZINC000818223253 586879926 /nfs/dbraw/zinc/87/99/26/586879926.db2.gz SQBZYHJONSXGMY-UHFFFAOYSA-N 1 2 212.272 1.198 20 0 BDADLO Cn1ccsc1=NC(=O)C1([NH3+])CCCCC1 ZINC000818544729 586899886 /nfs/dbraw/zinc/89/98/86/586899886.db2.gz OHNFSWQOURIBTO-UHFFFAOYSA-N 1 2 239.344 1.176 20 0 BDADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000818970222 586918096 /nfs/dbraw/zinc/91/80/96/586918096.db2.gz DJIZRJSMJJQZHE-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000818970222 586918097 /nfs/dbraw/zinc/91/80/97/586918097.db2.gz DJIZRJSMJJQZHE-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1cccn2c(C[NH2+]CCC(=O)[O-])c[nH+]c12 ZINC000818963668 586918449 /nfs/dbraw/zinc/91/84/49/586918449.db2.gz XSIBHIJWCLGAPH-UHFFFAOYSA-N 1 2 233.271 1.207 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/[C@@H]1CCCO1 ZINC000819022141 586924345 /nfs/dbraw/zinc/92/43/45/586924345.db2.gz CGJBOXPUEDFZPX-QRGHLMKCSA-N 1 2 249.314 1.114 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@H]1CCCO1 ZINC000819283398 586948034 /nfs/dbraw/zinc/94/80/34/586948034.db2.gz JYNXTSUXFHVIHR-BTDICHCPSA-N 1 2 246.310 1.740 20 0 BDADLO CC[C@H](NC(=O)/C=C\[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498382 586970082 /nfs/dbraw/zinc/97/00/82/586970082.db2.gz FOROEGXJHFZAEL-OBOPVNRVSA-N 1 2 249.314 1.712 20 0 BDADLO CC[C@H](NC(=O)C=C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498382 586970084 /nfs/dbraw/zinc/97/00/84/586970084.db2.gz FOROEGXJHFZAEL-OBOPVNRVSA-N 1 2 249.314 1.712 20 0 BDADLO Cc1ccnn1CC(=O)OCCCn1cc[nH+]c1 ZINC000860063340 589078918 /nfs/dbraw/zinc/07/89/18/589078918.db2.gz JNFBIDUVSNWQHH-UHFFFAOYSA-N 1 2 248.286 1.022 20 0 BDADLO O=C(N[C@H]1CC12CC2)c1cccc2[nH+]ccn21 ZINC000819625008 586982115 /nfs/dbraw/zinc/98/21/15/586982115.db2.gz CCMWJNHZEJWWQV-JTQLQIEISA-N 1 2 227.267 1.617 20 0 BDADLO CCCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819766765 586991007 /nfs/dbraw/zinc/99/10/07/586991007.db2.gz ANTCUWLMHIATIX-ZETCQYMHSA-N 1 2 200.307 1.784 20 0 BDADLO CSCC(C)(C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819779064 586993329 /nfs/dbraw/zinc/99/33/29/586993329.db2.gz UVVQVPQHFVXBTB-ZETCQYMHSA-N 1 2 246.401 1.983 20 0 BDADLO CC/C(C)=C\C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819779646 586994306 /nfs/dbraw/zinc/99/43/06/586994306.db2.gz AHJDWFFXOZOIBW-GRKOMRHMSA-N 1 2 212.318 1.950 20 0 BDADLO CC(C)(C)c1nc(C(=O)NCc2c[nH+]c[nH]2)co1 ZINC000820164268 587030116 /nfs/dbraw/zinc/03/01/16/587030116.db2.gz CFGNNJVSONRZQN-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO CC(C)(C)c1nc(C(=O)NCc2c[nH]c[nH+]2)co1 ZINC000820164268 587030118 /nfs/dbraw/zinc/03/01/18/587030118.db2.gz CFGNNJVSONRZQN-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820348331 587044602 /nfs/dbraw/zinc/04/46/02/587044602.db2.gz QYCLYBDEFFBBDG-WDEREUQCSA-N 1 2 228.336 1.314 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820348331 587044603 /nfs/dbraw/zinc/04/46/03/587044603.db2.gz QYCLYBDEFFBBDG-WDEREUQCSA-N 1 2 228.336 1.314 20 0 BDADLO Cc1ccnc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000820581009 587055876 /nfs/dbraw/zinc/05/58/76/587055876.db2.gz KZIBDXHVVOCDJP-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C(F)=C1CCC1 ZINC000820889417 587080140 /nfs/dbraw/zinc/08/01/40/587080140.db2.gz JJBMJWSDQOBMQU-JTQLQIEISA-N 1 2 245.269 1.981 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C(F)=C1CCC1 ZINC000820889417 587080142 /nfs/dbraw/zinc/08/01/42/587080142.db2.gz JJBMJWSDQOBMQU-JTQLQIEISA-N 1 2 245.269 1.981 20 0 BDADLO Cc1ncsc1NC(=O)C[NH+]1CCCC1 ZINC000820907891 587080763 /nfs/dbraw/zinc/08/07/63/587080763.db2.gz SIFKPNYISQRKOZ-UHFFFAOYSA-N 1 2 225.317 1.486 20 0 BDADLO C[C@@H]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000821295884 587105699 /nfs/dbraw/zinc/10/56/99/587105699.db2.gz ZMMWKMHOUJYALC-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@H]1CCC(=O)O1 ZINC000821381388 587115046 /nfs/dbraw/zinc/11/50/46/587115046.db2.gz XJBMHCVFKNLUCY-MRVPVSSYSA-N 1 2 226.301 1.281 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@H]1CCC(=O)O1 ZINC000821381388 587115047 /nfs/dbraw/zinc/11/50/47/587115047.db2.gz XJBMHCVFKNLUCY-MRVPVSSYSA-N 1 2 226.301 1.281 20 0 BDADLO CO[C@@H]1CC[C@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC000821401678 587117181 /nfs/dbraw/zinc/11/71/81/587117181.db2.gz GJBMYEFTWACKCD-VHSXEESVSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC000821401678 587117184 /nfs/dbraw/zinc/11/71/84/587117184.db2.gz GJBMYEFTWACKCD-VHSXEESVSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000821564629 587128804 /nfs/dbraw/zinc/12/88/04/587128804.db2.gz LVUMTJHPBNMRNK-SCZZXKLOSA-N 1 2 219.288 1.684 20 0 BDADLO CCC[C@H](O)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821786641 587137822 /nfs/dbraw/zinc/13/78/22/587137822.db2.gz MJBZFSKHFVZVGM-UTLUCORTSA-N 1 2 237.303 1.166 20 0 BDADLO CC(C)N(CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000821812720 587139616 /nfs/dbraw/zinc/13/96/16/587139616.db2.gz ZYLYIHHUFMRJPA-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)C[C@H](C(=O)N1CCCO1)n1cc[nH+]c1 ZINC000821824792 587140667 /nfs/dbraw/zinc/14/06/67/587140667.db2.gz VYTVJCGGNSCGRO-LLVKDONJSA-N 1 2 237.303 1.634 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCCn1cc[nH+]c1 ZINC000821931594 587147446 /nfs/dbraw/zinc/14/74/46/587147446.db2.gz UKCKVYDNTJBSBU-GFCCVEGCSA-N 1 2 241.310 1.918 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2CCC=CO2)[nH+]1 ZINC000822276037 587160274 /nfs/dbraw/zinc/16/02/74/587160274.db2.gz DQUPDBXRIPJSTP-NSHDSACASA-N 1 2 249.314 1.324 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822439583 587168268 /nfs/dbraw/zinc/16/82/68/587168268.db2.gz NUWZCXCZOOQEDA-HTQZYQBOSA-N 1 2 231.259 1.183 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822439583 587168269 /nfs/dbraw/zinc/16/82/69/587168269.db2.gz NUWZCXCZOOQEDA-HTQZYQBOSA-N 1 2 231.259 1.183 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822443743 587168480 /nfs/dbraw/zinc/16/84/80/587168480.db2.gz ZQVATVXJVTVLCN-RUULKOMLSA-N 1 2 233.315 1.594 20 0 BDADLO Cc1ccc(O)c(NC(=O)C[NH+]2CCCC2)n1 ZINC000822521375 587173394 /nfs/dbraw/zinc/17/33/94/587173394.db2.gz MMYDHGOVKKRCQL-UHFFFAOYSA-N 1 2 235.287 1.130 20 0 BDADLO CCC[C@@H](C)c1noc([C@@H]([NH3+])COC)n1 ZINC000822770470 587185177 /nfs/dbraw/zinc/18/51/77/587185177.db2.gz DSNZOCSZTLLMQE-SFYZADRCSA-N 1 2 213.281 1.619 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@@H](C)C2CC2)no1 ZINC000822876387 587191202 /nfs/dbraw/zinc/19/12/02/587191202.db2.gz ZBAPHXRHTMOTBK-XPUUQOCRSA-N 1 2 211.265 1.229 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)[C@@]2(C)C=CCC2)S1 ZINC000823307672 587215564 /nfs/dbraw/zinc/21/55/64/587215564.db2.gz VLICHXUSCLYEEY-KWQFWETISA-N 1 2 224.329 1.950 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000823458610 587223410 /nfs/dbraw/zinc/22/34/10/587223410.db2.gz ARQJBLQJDGUQEN-SNVBAGLBSA-N 1 2 238.335 1.075 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000823458610 587223412 /nfs/dbraw/zinc/22/34/12/587223412.db2.gz ARQJBLQJDGUQEN-SNVBAGLBSA-N 1 2 238.335 1.075 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CO1 ZINC000823698964 587236897 /nfs/dbraw/zinc/23/68/97/587236897.db2.gz XEVWZXXHZKZJCX-WPRPVWTQSA-N 1 2 245.282 1.470 20 0 BDADLO C[C@@H](CCO)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824096908 587255149 /nfs/dbraw/zinc/25/51/49/587255149.db2.gz UDEDUKLDHGTYFU-VIFPVBQESA-N 1 2 247.298 1.406 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC2CC3(CCC3)C2)c1 ZINC000824102385 587255642 /nfs/dbraw/zinc/25/56/42/587255642.db2.gz PFOGDIRKVCHJPA-ONEGZZNKSA-N 1 2 245.326 1.882 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C12CC(C1)C2 ZINC000860271180 589092452 /nfs/dbraw/zinc/09/24/52/589092452.db2.gz IGKUQZKVSCBFIR-ZBOXLXRLSA-N 1 2 239.315 1.050 20 0 BDADLO CCn1nc(C)c(C[NH+]2CCC(F)(F)CC2)n1 ZINC000824321032 587265975 /nfs/dbraw/zinc/26/59/75/587265975.db2.gz OCFGTMBVHOPIJS-UHFFFAOYSA-N 1 2 244.289 1.838 20 0 BDADLO CC[N@H+](Cc1cc(F)ncc1F)[C@H]1CCOC1 ZINC000824422584 587270063 /nfs/dbraw/zinc/27/00/63/587270063.db2.gz CINRMWDZZQSCLY-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CC[N@@H+](Cc1cc(F)ncc1F)[C@H]1CCOC1 ZINC000824422584 587270064 /nfs/dbraw/zinc/27/00/64/587270064.db2.gz CINRMWDZZQSCLY-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO Cc1cnccc1C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000824427635 587270104 /nfs/dbraw/zinc/27/01/04/587270104.db2.gz KJIAVMARDGMHDJ-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cnccc1C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000824427635 587270105 /nfs/dbraw/zinc/27/01/05/587270105.db2.gz KJIAVMARDGMHDJ-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000824737824 587284865 /nfs/dbraw/zinc/28/48/65/587284865.db2.gz FFKCBJUNCFRHGX-BXKDBHETSA-N 1 2 236.315 1.897 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000824737824 587284866 /nfs/dbraw/zinc/28/48/66/587284866.db2.gz FFKCBJUNCFRHGX-BXKDBHETSA-N 1 2 236.315 1.897 20 0 BDADLO O=Cc1cc(C(=O)N2CC([NH+]3CCCC3)C2)co1 ZINC000824866099 587291255 /nfs/dbraw/zinc/29/12/55/587291255.db2.gz KWKVQFQLZRPSTJ-UHFFFAOYSA-N 1 2 248.282 1.012 20 0 BDADLO C[C@@H]1[C@@H](O)CC[N@@H+]1Cc1cc(F)ncc1F ZINC000824960444 587295199 /nfs/dbraw/zinc/29/51/99/587295199.db2.gz VXVIJYNLIFRGQK-XCBNKYQSSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1[C@@H](O)CC[N@H+]1Cc1cc(F)ncc1F ZINC000824960444 587295201 /nfs/dbraw/zinc/29/52/01/587295201.db2.gz VXVIJYNLIFRGQK-XCBNKYQSSA-N 1 2 228.242 1.315 20 0 BDADLO CC(C(=O)N[C@@H](C)Cn1cc[nH+]c1)=C1CCC1 ZINC000825111122 587304948 /nfs/dbraw/zinc/30/49/48/587304948.db2.gz LFNPBYPEEMKRJL-JTQLQIEISA-N 1 2 233.315 1.888 20 0 BDADLO C/C(=C/C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741398 587335976 /nfs/dbraw/zinc/33/59/76/587335976.db2.gz MQPNIPTYJCXQDF-CSXHZRMWSA-N 1 2 249.314 1.551 20 0 BDADLO C/C(=C/C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741398 587335977 /nfs/dbraw/zinc/33/59/77/587335977.db2.gz MQPNIPTYJCXQDF-CSXHZRMWSA-N 1 2 249.314 1.551 20 0 BDADLO CC(C(=O)N1CC(n2cc[nH+]c2)C1)=C1CCC1 ZINC000825936037 587346463 /nfs/dbraw/zinc/34/64/63/587346463.db2.gz OMVITEUCSMJGEX-UHFFFAOYSA-N 1 2 231.299 1.767 20 0 BDADLO CCC(F)(F)C(=O)NCc1[nH+]ccn1C ZINC000826013590 587348479 /nfs/dbraw/zinc/34/84/79/587348479.db2.gz WWGXHKBNRYLUPD-UHFFFAOYSA-N 1 2 217.219 1.082 20 0 BDADLO Cc1cc[nH+]c(NC2CC2)c1-c1nn[nH]n1 ZINC000826311783 587351930 /nfs/dbraw/zinc/35/19/30/587351930.db2.gz NITKCAKESOJREG-UHFFFAOYSA-N 1 2 216.248 1.144 20 0 BDADLO Cc1cc[nH+]c(NC2(C)CCC2)c1-c1nn[nH]n1 ZINC000826311946 587352057 /nfs/dbraw/zinc/35/20/57/587352057.db2.gz RFNYUFHGQANNDK-UHFFFAOYSA-N 1 2 244.302 1.925 20 0 BDADLO Cc1cc[nH+]c(N2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826309963 587352189 /nfs/dbraw/zinc/35/21/89/587352189.db2.gz HSUNVIJYDCKELE-VIFPVBQESA-N 1 2 244.302 1.559 20 0 BDADLO CC[C@H](CNc1nc[nH+]c2c1CCC2)C(=O)OC ZINC000826637978 587357539 /nfs/dbraw/zinc/35/75/39/587357539.db2.gz GUWKDMMZRWXBOJ-SECBINFHSA-N 1 2 249.314 1.576 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cnn(C)c1Cl ZINC000826768503 587361561 /nfs/dbraw/zinc/36/15/61/587361561.db2.gz AZFOAHZTIRYMAG-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cnn(C)c1Cl ZINC000826768503 587361562 /nfs/dbraw/zinc/36/15/62/587361562.db2.gz AZFOAHZTIRYMAG-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO O=C1CCC2=C(CC[N@H+](Cc3cocn3)C2)N1 ZINC000826784126 587362412 /nfs/dbraw/zinc/36/24/12/587362412.db2.gz AVJJVDMEYSGVOP-UHFFFAOYSA-N 1 2 233.271 1.044 20 0 BDADLO O=C1CCC2=C(CC[N@@H+](Cc3cocn3)C2)N1 ZINC000826784126 587362413 /nfs/dbraw/zinc/36/24/13/587362413.db2.gz AVJJVDMEYSGVOP-UHFFFAOYSA-N 1 2 233.271 1.044 20 0 BDADLO CCC[C@H](O)C(=O)N1CC2CC1(c1[nH]cc[nH+]1)C2 ZINC000826965335 587366801 /nfs/dbraw/zinc/36/68/01/587366801.db2.gz QNDNVUWHOQZYCG-QUNCOHTASA-N 1 2 249.314 1.018 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000827119602 587370549 /nfs/dbraw/zinc/37/05/49/587370549.db2.gz ALNAPCGKJMYJKS-ONGXEEELSA-N 1 2 248.330 1.768 20 0 BDADLO C[C@]1(C[N@@H+]2CCNC(=O)C2)CC1(Cl)Cl ZINC000827299323 587375884 /nfs/dbraw/zinc/37/58/84/587375884.db2.gz PBAYRYNNQLSTLN-MRVPVSSYSA-N 1 2 237.130 1.002 20 0 BDADLO C[C@]1(C[N@H+]2CCNC(=O)C2)CC1(Cl)Cl ZINC000827299323 587375885 /nfs/dbraw/zinc/37/58/85/587375885.db2.gz PBAYRYNNQLSTLN-MRVPVSSYSA-N 1 2 237.130 1.002 20 0 BDADLO C/C=C\CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000827493513 587383068 /nfs/dbraw/zinc/38/30/68/587383068.db2.gz RQKRHDCFSFDYSA-DNVGVPOPSA-N 1 2 205.261 1.126 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000827612170 587392412 /nfs/dbraw/zinc/39/24/12/587392412.db2.gz DAHJPYDQOMOCKM-MXWKQRLJSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC=CO2)s1 ZINC000827806368 587403454 /nfs/dbraw/zinc/40/34/54/587403454.db2.gz SASYSHROWVRQGA-SNVBAGLBSA-N 1 2 239.344 1.971 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC=CO2)s1 ZINC000827806368 587403456 /nfs/dbraw/zinc/40/34/56/587403456.db2.gz SASYSHROWVRQGA-SNVBAGLBSA-N 1 2 239.344 1.971 20 0 BDADLO COC[C@@H]1C[N@H+](CCC(=O)CC(C)C)CCO1 ZINC000827940171 587411036 /nfs/dbraw/zinc/41/10/36/587411036.db2.gz ISVTVQKDIVPAEU-ZDUSSCGKSA-N 1 2 243.347 1.339 20 0 BDADLO COC[C@@H]1C[N@@H+](CCC(=O)CC(C)C)CCO1 ZINC000827940171 587411037 /nfs/dbraw/zinc/41/10/37/587411037.db2.gz ISVTVQKDIVPAEU-ZDUSSCGKSA-N 1 2 243.347 1.339 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)/C=C\c2cn(C)c[nH+]2)[C@H](C)O1 ZINC000828056545 587418398 /nfs/dbraw/zinc/41/83/98/587418398.db2.gz MXYXYOJTNNCSLG-VRQCHZPDSA-N 1 2 249.314 1.115 20 0 BDADLO CCc1nsc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000828357962 587438156 /nfs/dbraw/zinc/43/81/56/587438156.db2.gz NVKYUPBOKDOWGM-ZETCQYMHSA-N 1 2 235.316 1.854 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)C2)n1 ZINC000828529118 587447769 /nfs/dbraw/zinc/44/77/69/587447769.db2.gz HYLSAXGEQWJRGU-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)[C@@H](C)C2)n1 ZINC000828529118 587447772 /nfs/dbraw/zinc/44/77/72/587447772.db2.gz HYLSAXGEQWJRGU-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO CCON(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000828733630 587459204 /nfs/dbraw/zinc/45/92/04/587459204.db2.gz GBOQYTHBEHBFFR-UHFFFAOYSA-N 1 2 233.271 1.977 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000828838143 587465742 /nfs/dbraw/zinc/46/57/42/587465742.db2.gz XESZJFQQQHEQPJ-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000828838143 587465744 /nfs/dbraw/zinc/46/57/44/587465744.db2.gz XESZJFQQQHEQPJ-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO CC/C(C)=C\C(=O)NCCc1c[nH+]cn1C ZINC000828996014 587478394 /nfs/dbraw/zinc/47/83/94/587478394.db2.gz RVAYFDMUZNVABR-YFHOEESVSA-N 1 2 221.304 1.435 20 0 BDADLO C[C@@H]1CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829144008 587484758 /nfs/dbraw/zinc/48/47/58/587484758.db2.gz ALSROONRDYTOID-CDAZIORVSA-N 1 2 205.261 1.054 20 0 BDADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000829218768 587489022 /nfs/dbraw/zinc/48/90/22/587489022.db2.gz HVBKMBOMJLHJET-WDEREUQCSA-N 1 2 238.335 1.488 20 0 BDADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000829218768 587489024 /nfs/dbraw/zinc/48/90/24/587489024.db2.gz HVBKMBOMJLHJET-WDEREUQCSA-N 1 2 238.335 1.488 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)[C@@H]3CC3(C)C)cc2C1 ZINC000829434783 587497241 /nfs/dbraw/zinc/49/72/41/587497241.db2.gz JDOZTXFUHJWQGQ-JTQLQIEISA-N 1 2 248.330 1.313 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)[C@@H]3CC3(C)C)cc2C1 ZINC000829434783 587497242 /nfs/dbraw/zinc/49/72/42/587497242.db2.gz JDOZTXFUHJWQGQ-JTQLQIEISA-N 1 2 248.330 1.313 20 0 BDADLO C/C=C(/C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829441896 587497752 /nfs/dbraw/zinc/49/77/52/587497752.db2.gz OSVDLHXUMLTUPO-WTKPLQERSA-N 1 2 234.303 1.233 20 0 BDADLO C/C=C(/C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829441896 587497753 /nfs/dbraw/zinc/49/77/53/587497753.db2.gz OSVDLHXUMLTUPO-WTKPLQERSA-N 1 2 234.303 1.233 20 0 BDADLO CCCCCCNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000830461999 587551990 /nfs/dbraw/zinc/55/19/90/587551990.db2.gz KVHHNKSZFOMHNP-NSHDSACASA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCCNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000830461999 587551992 /nfs/dbraw/zinc/55/19/92/587551992.db2.gz KVHHNKSZFOMHNP-NSHDSACASA-N 1 2 230.327 1.727 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC2CCC1CC2 ZINC000830510042 587555038 /nfs/dbraw/zinc/55/50/38/587555038.db2.gz GGSXWQNOAWFESA-ILDUYXDCSA-N 1 2 233.315 1.647 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cn1 ZINC000830707516 587564798 /nfs/dbraw/zinc/56/47/98/587564798.db2.gz FMYRGQYSHLDZQA-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cn1 ZINC000830707516 587564799 /nfs/dbraw/zinc/56/47/99/587564799.db2.gz FMYRGQYSHLDZQA-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cn1c[nH+]c2c1CCN(C(=O)OC1CCCC1)C2 ZINC000830817616 587572054 /nfs/dbraw/zinc/57/20/54/587572054.db2.gz FEPASLWQPDPMNL-UHFFFAOYSA-N 1 2 249.314 1.857 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838403 587573260 /nfs/dbraw/zinc/57/32/60/587573260.db2.gz AVHLOBRPKKNEFT-QWRGUYRKSA-N 1 2 239.315 1.335 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838403 587573261 /nfs/dbraw/zinc/57/32/61/587573261.db2.gz AVHLOBRPKKNEFT-QWRGUYRKSA-N 1 2 239.315 1.335 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCC(=O)C1 ZINC000830897764 587576622 /nfs/dbraw/zinc/57/66/22/587576622.db2.gz VSISWTQIKRJGPX-JTQLQIEISA-N 1 2 236.271 1.186 20 0 BDADLO O=C(OC1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000831076044 587585341 /nfs/dbraw/zinc/58/53/41/587585341.db2.gz WMOJJQIXPLIMRF-UHFFFAOYSA-N 1 2 235.287 1.819 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc[nH]1 ZINC000831366868 587601323 /nfs/dbraw/zinc/60/13/23/587601323.db2.gz BMGWLULTLWLJES-QMMMGPOBSA-N 1 2 218.260 1.158 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC1CC=CC1 ZINC000831434367 587606965 /nfs/dbraw/zinc/60/69/65/587606965.db2.gz ZAIVVTHZAIWWMW-UHFFFAOYSA-N 1 2 233.315 1.733 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCC1CC=CC1 ZINC000831434367 587606966 /nfs/dbraw/zinc/60/69/66/587606966.db2.gz ZAIVVTHZAIWWMW-UHFFFAOYSA-N 1 2 233.315 1.733 20 0 BDADLO CCON(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000831454375 587609037 /nfs/dbraw/zinc/60/90/37/587609037.db2.gz KKQLEXIVKNSEOB-SNVBAGLBSA-N 1 2 237.303 1.246 20 0 BDADLO CCCONC(=O)Nc1cc[nH+]c(C)c1 ZINC000831592526 587621796 /nfs/dbraw/zinc/62/17/96/587621796.db2.gz DEERSWJZYQRXFP-UHFFFAOYSA-N 1 2 209.249 1.275 20 0 BDADLO CCCONC(=O)Nc1cc[nH+]cc1C ZINC000831593233 587622268 /nfs/dbraw/zinc/62/22/68/587622268.db2.gz JJWYWBQOISYTAJ-UHFFFAOYSA-N 1 2 209.249 1.275 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000831633924 587625125 /nfs/dbraw/zinc/62/51/25/587625125.db2.gz KTHBRKPNKVUYBT-VHSXEESVSA-N 1 2 221.304 1.742 20 0 BDADLO CC[C@H](CSC)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000831674988 587627034 /nfs/dbraw/zinc/62/70/34/587627034.db2.gz MUFSFZQFHJAMLC-SECBINFHSA-N 1 2 241.360 1.552 20 0 BDADLO CSC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000831983028 587641581 /nfs/dbraw/zinc/64/15/81/587641581.db2.gz KFBXXGDBTUIJLA-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC(C)(C)CO2)c[nH+]1 ZINC000832818527 587692448 /nfs/dbraw/zinc/69/24/48/587692448.db2.gz WRSOYTTVEJFBEO-VIFPVBQESA-N 1 2 237.303 1.263 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833277166 587704104 /nfs/dbraw/zinc/70/41/04/587704104.db2.gz ATWOIXALZKSHDG-AXFHLTTASA-N 1 2 233.315 1.736 20 0 BDADLO CC(Cl)(Cl)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833277490 587704123 /nfs/dbraw/zinc/70/41/23/587704123.db2.gz DGKNIRYTJJINHV-ZCFIWIBFSA-N 1 2 248.113 1.638 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833286699 587704816 /nfs/dbraw/zinc/70/48/16/587704816.db2.gz ZWXQTTAWLDEGRZ-DTWKUNHWSA-N 1 2 219.288 1.490 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H]3CCC[C@@H]3O2)c[nH+]1 ZINC000834401390 587754543 /nfs/dbraw/zinc/75/45/43/587754543.db2.gz IHQHSUYKMFPMNM-SCVCMEIPSA-N 1 2 249.314 1.406 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC(=O)C1 ZINC000834836958 587768484 /nfs/dbraw/zinc/76/84/84/587768484.db2.gz POOHABSHWSHLDV-SECBINFHSA-N 1 2 243.266 1.642 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC1CC(F)(F)C1 ZINC000835196486 587788553 /nfs/dbraw/zinc/78/85/53/587788553.db2.gz ZJOMEMZNOQFGJA-UHFFFAOYSA-N 1 2 244.241 1.899 20 0 BDADLO CC/C(C)=C/C(=O)OCCc1c[nH+]cn1C ZINC000835326029 587796620 /nfs/dbraw/zinc/79/66/20/587796620.db2.gz ZJVJYZJWWHJZKL-JXMROGBWSA-N 1 2 222.288 1.862 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836196657 587828576 /nfs/dbraw/zinc/82/85/76/587828576.db2.gz LQFLEUOZSJYYNM-ZJUUUORDSA-N 1 2 236.319 1.816 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOCC1CC1 ZINC000836484085 587834255 /nfs/dbraw/zinc/83/42/55/587834255.db2.gz HCOVVQNGXYIIOK-UHFFFAOYSA-N 1 2 221.260 1.275 20 0 BDADLO CC[C@@H]1CCCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836516084 587834427 /nfs/dbraw/zinc/83/44/27/587834427.db2.gz HGWUICJXKSEAOG-MNOVXSKESA-N 1 2 248.330 1.912 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C[C@H]1C ZINC000836519843 587834454 /nfs/dbraw/zinc/83/44/54/587834454.db2.gz WYJIZBCWCANJKQ-GMTAPVOTSA-N 1 2 248.330 1.625 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867195994 587839914 /nfs/dbraw/zinc/83/99/14/587839914.db2.gz NFYQYHBDFKEBMW-FXPVBKGRSA-N 1 2 237.303 1.233 20 0 BDADLO Cc1nonc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836956611 587843443 /nfs/dbraw/zinc/84/34/43/587843443.db2.gz XHEJMHOHRFPYLO-POYBYMJQSA-N 1 2 247.258 1.010 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836951450 587843527 /nfs/dbraw/zinc/84/35/27/587843527.db2.gz AZMTYKUMUUWTGY-UTLUCORTSA-N 1 2 239.294 1.999 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2cnsn2)c2[nH+]ccn21 ZINC000836953913 587843574 /nfs/dbraw/zinc/84/35/74/587843574.db2.gz JEVINYYXZHVJKX-RNFRBKRXSA-N 1 2 249.299 1.170 20 0 BDADLO O=C(O[C@@H]1CCOC1)c1ccc2[nH+]ccn2c1 ZINC000837515810 587879177 /nfs/dbraw/zinc/87/91/77/587879177.db2.gz UUBOVKMRCQOKNZ-SNVBAGLBSA-N 1 2 232.239 1.280 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CCn1cccc1 ZINC000837564142 587882026 /nfs/dbraw/zinc/88/20/26/587882026.db2.gz LIYFJJPMAUPYSM-UHFFFAOYSA-N 1 2 247.298 1.398 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000837972027 587905996 /nfs/dbraw/zinc/90/59/96/587905996.db2.gz BFZDYVLOFMHVRL-QJPTWQEYSA-N 1 2 241.331 1.296 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000837972027 587905997 /nfs/dbraw/zinc/90/59/97/587905997.db2.gz BFZDYVLOFMHVRL-QJPTWQEYSA-N 1 2 241.331 1.296 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1-c1ccncc1)C1CC1 ZINC000840748503 587919654 /nfs/dbraw/zinc/91/96/54/587919654.db2.gz JSEUGRPACJWQQN-LBPRGKRZSA-N 1 2 229.283 1.716 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=S)NC1CC1 ZINC000840809787 587922598 /nfs/dbraw/zinc/92/25/98/587922598.db2.gz JCRBKNSLVHBUIY-QMMMGPOBSA-N 1 2 238.360 1.591 20 0 BDADLO CC[C@@H](C)NC(=S)NCCc1cn(C)c[nH+]1 ZINC000840842342 587925041 /nfs/dbraw/zinc/92/50/41/587925041.db2.gz WCTSSFSOQKIYIG-SECBINFHSA-N 1 2 240.376 1.225 20 0 BDADLO Cc1occc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000840938288 587930462 /nfs/dbraw/zinc/93/04/62/587930462.db2.gz MQYNMQKHQMRXCJ-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1occc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000840938288 587930463 /nfs/dbraw/zinc/93/04/63/587930463.db2.gz MQYNMQKHQMRXCJ-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CSC[C@@H]1C ZINC000840959101 587932410 /nfs/dbraw/zinc/93/24/10/587932410.db2.gz SZERZMQVCYAVHH-LSJOCFKGSA-N 1 2 243.372 1.669 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)COC(C)C)CC(C)C ZINC000842025919 587990272 /nfs/dbraw/zinc/99/02/72/587990272.db2.gz YONIOFFMENUKAV-LLVKDONJSA-N 1 2 246.351 1.971 20 0 BDADLO COc1cccc(C(N)=[NH+]OCC[C@@H](C)O)c1 ZINC000842033420 587991510 /nfs/dbraw/zinc/99/15/10/587991510.db2.gz PBOWJWGOYURZLO-SECBINFHSA-N 1 2 238.287 1.313 20 0 BDADLO COC1(CCO[NH+]=C(N)[C@@H]2CCCO2)CCC1 ZINC000842046834 587992907 /nfs/dbraw/zinc/99/29/07/587992907.db2.gz GSXPZKYDZMVUPF-JTQLQIEISA-N 1 2 242.319 1.623 20 0 BDADLO Cc1ccc([C@@H]([NH3+])c2nc(N(C)C)no2)cc1 ZINC000842571700 588043268 /nfs/dbraw/zinc/04/32/68/588043268.db2.gz NFKDZVFKYOQMOV-SNVBAGLBSA-N 1 2 232.287 1.492 20 0 BDADLO CCc1nn(C[N@H+](C)C2CCC2)c(=O)n1CC ZINC000842599263 588044915 /nfs/dbraw/zinc/04/49/15/588044915.db2.gz NSYLUOZEGCMWHZ-UHFFFAOYSA-N 1 2 238.335 1.069 20 0 BDADLO CCc1nn(C[N@@H+](C)C2CCC2)c(=O)n1CC ZINC000842599263 588044916 /nfs/dbraw/zinc/04/49/16/588044916.db2.gz NSYLUOZEGCMWHZ-UHFFFAOYSA-N 1 2 238.335 1.069 20 0 BDADLO CC[N@H+](CCSC)Cn1ccsc1=O ZINC000842647436 588048575 /nfs/dbraw/zinc/04/85/75/588048575.db2.gz WWPATBMNMXXCMW-UHFFFAOYSA-N 1 2 232.374 1.552 20 0 BDADLO CC[N@@H+](CCSC)Cn1ccsc1=O ZINC000842647436 588048577 /nfs/dbraw/zinc/04/85/77/588048577.db2.gz WWPATBMNMXXCMW-UHFFFAOYSA-N 1 2 232.374 1.552 20 0 BDADLO CCSCSC[C@@H]1C[N@H+](C)CCO1 ZINC000842653524 588049316 /nfs/dbraw/zinc/04/93/16/588049316.db2.gz PEASIERHKIBIDG-VIFPVBQESA-N 1 2 221.391 1.761 20 0 BDADLO CCSCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000842653524 588049317 /nfs/dbraw/zinc/04/93/17/588049317.db2.gz PEASIERHKIBIDG-VIFPVBQESA-N 1 2 221.391 1.761 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842888712 588070981 /nfs/dbraw/zinc/07/09/81/588070981.db2.gz PLTCHLNVYZRRMB-JQWIXIFHSA-N 1 2 246.310 1.717 20 0 BDADLO COCC[NH2+]Cc1nc([C@H](C)C2CC2)no1 ZINC000843195931 588093292 /nfs/dbraw/zinc/09/32/92/588093292.db2.gz WCEJPXBTBMPXTF-MRVPVSSYSA-N 1 2 225.292 1.319 20 0 BDADLO O=C(N1CCN(c2cccc[nH+]2)CC1)C1(F)CC1 ZINC000843518471 588119126 /nfs/dbraw/zinc/11/91/26/588119126.db2.gz VDNVGZPJBGKSOY-UHFFFAOYSA-N 1 2 249.289 1.232 20 0 BDADLO O=C(NOC1CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844142198 588169905 /nfs/dbraw/zinc/16/99/05/588169905.db2.gz BLPHQRFIUWQQKX-SECBINFHSA-N 1 2 235.287 1.046 20 0 BDADLO C[C@@H](CC(=O)OCc1ccccn1)n1cc[nH+]c1 ZINC000844270242 588178374 /nfs/dbraw/zinc/17/83/74/588178374.db2.gz AWHQIMUJBRMVEV-NSHDSACASA-N 1 2 245.282 1.973 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnoc2C)[C@H](C)CO1 ZINC000844390316 588189003 /nfs/dbraw/zinc/18/90/03/588189003.db2.gz GJJYUVBHNJYJPT-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnoc2C)[C@H](C)CO1 ZINC000844390316 588189005 /nfs/dbraw/zinc/18/90/05/588189005.db2.gz GJJYUVBHNJYJPT-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CCNCc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000844905834 588218887 /nfs/dbraw/zinc/21/88/87/588218887.db2.gz HMUVWGIVNZKEEZ-VIFPVBQESA-N 1 2 235.291 1.179 20 0 BDADLO CC(=O)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278107 588224883 /nfs/dbraw/zinc/22/48/83/588224883.db2.gz LRKTVAKWMDIPEY-WPRPVWTQSA-N 1 2 224.260 1.355 20 0 BDADLO CSCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283048 588225389 /nfs/dbraw/zinc/22/53/89/588225389.db2.gz RUNASDXSMMRPJP-VIFPVBQESA-N 1 2 228.317 1.740 20 0 BDADLO COCC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284068 588225908 /nfs/dbraw/zinc/22/59/08/588225908.db2.gz KCUMALUQGFWEHN-MNOVXSKESA-N 1 2 240.303 1.802 20 0 BDADLO C[C@@H](CC(=O)O[C@H]1CCCOC1)n1cc[nH+]c1 ZINC000845490277 588230551 /nfs/dbraw/zinc/23/05/51/588230551.db2.gz WZZDPBBQNUNOGT-QWRGUYRKSA-N 1 2 238.287 1.556 20 0 BDADLO C=COCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845501181 588230769 /nfs/dbraw/zinc/23/07/69/588230769.db2.gz DZJAUWREYRDZLV-JTQLQIEISA-N 1 2 224.260 1.538 20 0 BDADLO C[C@@H](CC(=O)N(C)c1cn[nH]c1)n1cc[nH+]c1 ZINC000845687685 588241042 /nfs/dbraw/zinc/24/10/42/588241042.db2.gz QSRATOBKYARDAH-VIFPVBQESA-N 1 2 233.275 1.220 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)[C@H](C)CO1 ZINC000846043240 588254684 /nfs/dbraw/zinc/25/46/84/588254684.db2.gz JNHNPDAACILMCG-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)[C@H](C)CO1 ZINC000846043240 588254685 /nfs/dbraw/zinc/25/46/85/588254685.db2.gz JNHNPDAACILMCG-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CCC[C@@H](C)C[NH2+]CC(=O)NOCC ZINC000846086279 588255737 /nfs/dbraw/zinc/25/57/37/588255737.db2.gz NJKARDZPOSGUMT-SECBINFHSA-N 1 2 202.298 1.080 20 0 BDADLO CCC[C@H](C)C[NH2+]CC(=O)NOCC ZINC000846086280 588255800 /nfs/dbraw/zinc/25/58/00/588255800.db2.gz NJKARDZPOSGUMT-VIFPVBQESA-N 1 2 202.298 1.080 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000846088693 588256228 /nfs/dbraw/zinc/25/62/28/588256228.db2.gz ZTYITIRYLKHGDG-NEPJUHHUSA-N 1 2 242.363 1.859 20 0 BDADLO C[C@@H](CC(=O)NOC/C=C/Cl)n1cc[nH+]c1 ZINC000846194979 588259623 /nfs/dbraw/zinc/25/96/23/588259623.db2.gz WOLORPRFVZJDSK-HPOULIHZSA-N 1 2 243.694 1.635 20 0 BDADLO C[C@H](CC(=O)NOC/C=C/Cl)n1cc[nH+]c1 ZINC000846194978 588259649 /nfs/dbraw/zinc/25/96/49/588259649.db2.gz WOLORPRFVZJDSK-GKQMSVHHSA-N 1 2 243.694 1.635 20 0 BDADLO CC(C)(NC(=O)C1=CCCCO1)c1[nH]cc[nH+]1 ZINC000846245275 588262576 /nfs/dbraw/zinc/26/25/76/588262576.db2.gz SNWMUEUBWKFZAV-UHFFFAOYSA-N 1 2 235.287 1.455 20 0 BDADLO COc1cncc(NCc2c[nH+]cn2C)c1 ZINC000846750547 588285284 /nfs/dbraw/zinc/28/52/84/588285284.db2.gz VOJXTJFZPKGNSI-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO c1n[nH]cc1C1CC[NH+](Cc2cnsn2)CC1 ZINC000846791674 588288355 /nfs/dbraw/zinc/28/83/55/588288355.db2.gz FKRDKTLLYACVIM-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO BrC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000846808631 588289989 /nfs/dbraw/zinc/28/99/89/588289989.db2.gz SRROREQEHMPBPI-DTORHVGOSA-N 1 2 246.148 1.777 20 0 BDADLO BrC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000846808631 588289990 /nfs/dbraw/zinc/28/99/90/588289990.db2.gz SRROREQEHMPBPI-DTORHVGOSA-N 1 2 246.148 1.777 20 0 BDADLO COC1CCC([N@H+](C)Cc2cnsn2)CC1 ZINC000846809796 588290289 /nfs/dbraw/zinc/29/02/89/588290289.db2.gz WEKAFWOAPKCXMG-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO COC1CCC([N@@H+](C)Cc2cnsn2)CC1 ZINC000846809796 588290290 /nfs/dbraw/zinc/29/02/90/588290290.db2.gz WEKAFWOAPKCXMG-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO CC1(C)C[N@H+](Cc2cnsn2)CCCO1 ZINC000846809909 588290347 /nfs/dbraw/zinc/29/03/47/588290347.db2.gz XFQYBXBGLKGMKQ-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnsn2)CCCO1 ZINC000846809909 588290348 /nfs/dbraw/zinc/29/03/48/588290348.db2.gz XFQYBXBGLKGMKQ-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCOC[C@@H](C)C2)on1 ZINC000846835674 588291941 /nfs/dbraw/zinc/29/19/41/588291941.db2.gz ZAOXOSCIXTYRGA-VIFPVBQESA-N 1 2 238.287 1.346 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCOC[C@@H](C)C2)on1 ZINC000846835674 588291942 /nfs/dbraw/zinc/29/19/42/588291942.db2.gz ZAOXOSCIXTYRGA-VIFPVBQESA-N 1 2 238.287 1.346 20 0 BDADLO C[C@@H]([NH2+]Cc1cnsn1)c1cn[nH]c1 ZINC000846861401 588293957 /nfs/dbraw/zinc/29/39/57/588293957.db2.gz UJXQGFVQJOFFSM-ZCFIWIBFSA-N 1 2 209.278 1.112 20 0 BDADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cnsn1 ZINC000846865426 588294027 /nfs/dbraw/zinc/29/40/27/588294027.db2.gz KXRSIMLMDFFQHU-HTQZYQBOSA-N 1 2 227.333 1.272 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnsn2)CC[C@H]1C ZINC000846870987 588294304 /nfs/dbraw/zinc/29/43/04/588294304.db2.gz QWEHCZNQOWHODM-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnsn2)CC[C@H]1C ZINC000846870987 588294305 /nfs/dbraw/zinc/29/43/05/588294305.db2.gz QWEHCZNQOWHODM-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2nonc2c1 ZINC000846882877 588295232 /nfs/dbraw/zinc/29/52/32/588295232.db2.gz GNAUZHQLXUUXSX-MRVPVSSYSA-N 1 2 249.270 1.216 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846882877 588295233 /nfs/dbraw/zinc/29/52/33/588295233.db2.gz GNAUZHQLXUUXSX-MRVPVSSYSA-N 1 2 249.270 1.216 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000846896277 588296046 /nfs/dbraw/zinc/29/60/46/588296046.db2.gz VZMJPVYTRPBGMR-WDEREUQCSA-N 1 2 239.344 1.682 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000846896277 588296047 /nfs/dbraw/zinc/29/60/47/588296047.db2.gz VZMJPVYTRPBGMR-WDEREUQCSA-N 1 2 239.344 1.682 20 0 BDADLO COC[C@]1(C)CC[N@H+](Cc2cnsn2)C1 ZINC000846946028 588298010 /nfs/dbraw/zinc/29/80/10/588298010.db2.gz WCNUHJFPOBYVOA-SNVBAGLBSA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@]1(C)CC[N@@H+](Cc2cnsn2)C1 ZINC000846946028 588298011 /nfs/dbraw/zinc/29/80/11/588298011.db2.gz WCNUHJFPOBYVOA-SNVBAGLBSA-N 1 2 227.333 1.397 20 0 BDADLO CON1CC[NH+](Cc2ccccc2F)CC1 ZINC000846978380 588299846 /nfs/dbraw/zinc/29/98/46/588299846.db2.gz SDPICGJRXPYLOX-UHFFFAOYSA-N 1 2 224.279 1.505 20 0 BDADLO Cl/C=C(\Cl)C[N@@H+]1CCn2nncc2C1 ZINC000847018659 588301861 /nfs/dbraw/zinc/30/18/61/588301861.db2.gz QKPHYYYJWDIEQK-CLTKARDFSA-N 1 2 233.102 1.413 20 0 BDADLO Cl/C=C(\Cl)C[N@H+]1CCn2nncc2C1 ZINC000847018659 588301862 /nfs/dbraw/zinc/30/18/62/588301862.db2.gz QKPHYYYJWDIEQK-CLTKARDFSA-N 1 2 233.102 1.413 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@H](C)OC ZINC000847056568 588305160 /nfs/dbraw/zinc/30/51/60/588305160.db2.gz BQVVCRDECKUTRL-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)C2CC2)n1 ZINC000847057516 588305198 /nfs/dbraw/zinc/30/51/98/588305198.db2.gz OCRCPIBUMNKDDW-QMMMGPOBSA-N 1 2 237.303 1.740 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)C2CC2)n1 ZINC000847057516 588305199 /nfs/dbraw/zinc/30/51/99/588305199.db2.gz OCRCPIBUMNKDDW-QMMMGPOBSA-N 1 2 237.303 1.740 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)C2CC2)n1 ZINC000847057514 588305223 /nfs/dbraw/zinc/30/52/23/588305223.db2.gz OCRCPIBUMNKDDW-MRVPVSSYSA-N 1 2 237.303 1.740 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)C2CC2)n1 ZINC000847057514 588305224 /nfs/dbraw/zinc/30/52/24/588305224.db2.gz OCRCPIBUMNKDDW-MRVPVSSYSA-N 1 2 237.303 1.740 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCC(C)(C)O ZINC000847065359 588305706 /nfs/dbraw/zinc/30/57/06/588305706.db2.gz YKBMXMVUOUJSKK-UHFFFAOYSA-N 1 2 245.363 1.859 20 0 BDADLO CCO/C=C/C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000847433245 588313008 /nfs/dbraw/zinc/31/30/08/588313008.db2.gz XZACFHUBZBKKMD-VMPITWQZSA-N 1 2 248.282 1.221 20 0 BDADLO CSC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000847537490 588315839 /nfs/dbraw/zinc/31/58/39/588315839.db2.gz PKRDQMLNEXZCRW-UHFFFAOYSA-N 1 2 244.404 1.586 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)(F)F ZINC000848174274 588365302 /nfs/dbraw/zinc/36/53/02/588365302.db2.gz HQPLWKHXWQEFLN-UHFFFAOYSA-N 1 2 217.219 1.174 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](O)c1ccco1 ZINC000848644585 588403528 /nfs/dbraw/zinc/40/35/28/588403528.db2.gz MPFQJFGISHEYIL-VIFPVBQESA-N 1 2 249.270 1.532 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)n2C)CCCO1 ZINC000848884862 588416866 /nfs/dbraw/zinc/41/68/66/588416866.db2.gz HASIUMLWDBXKQD-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)n2C)CCCO1 ZINC000848884862 588416867 /nfs/dbraw/zinc/41/68/67/588416867.db2.gz HASIUMLWDBXKQD-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1c(Cl)ncc1C[NH2+]Cc1ccno1 ZINC000848902820 588418707 /nfs/dbraw/zinc/41/87/07/588418707.db2.gz UGKWHBJQUPPHNE-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO COCC1(C)C[NH+](Cc2cnc(Cl)n2C)C1 ZINC000848916762 588420595 /nfs/dbraw/zinc/42/05/95/588420595.db2.gz MJGGBGHAGWPMSF-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CC=CCC1 ZINC000849168617 588459076 /nfs/dbraw/zinc/45/90/76/588459076.db2.gz WXJZSKZQDLKHFI-LBPRGKRZSA-N 1 2 239.315 1.218 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000849396783 588476660 /nfs/dbraw/zinc/47/66/60/588476660.db2.gz ORXKEWVKNNXPAY-NXEZZACHSA-N 1 2 236.319 1.940 20 0 BDADLO CC(C)[C@@H](O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000849733695 588491107 /nfs/dbraw/zinc/49/11/07/588491107.db2.gz UOBGYHXNQHHVLB-QWRGUYRKSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)[C@@H](O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000849733695 588491110 /nfs/dbraw/zinc/49/11/10/588491110.db2.gz UOBGYHXNQHHVLB-QWRGUYRKSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)[C@@H](O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000849733694 588491291 /nfs/dbraw/zinc/49/12/91/588491291.db2.gz UOBGYHXNQHHVLB-MNOVXSKESA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)[C@@H](O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000849733694 588491292 /nfs/dbraw/zinc/49/12/92/588491292.db2.gz UOBGYHXNQHHVLB-MNOVXSKESA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)[C@@H](O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000849817637 588503286 /nfs/dbraw/zinc/50/32/86/588503286.db2.gz JFSVVUQBBBSMCS-MNOVXSKESA-N 1 2 240.303 1.394 20 0 BDADLO CCc1cc(NCc2[nH]c(C)c(C)[nH+]2)n(C)n1 ZINC000850183308 588525064 /nfs/dbraw/zinc/52/50/64/588525064.db2.gz NZNAZMAYSMVOKC-UHFFFAOYSA-N 1 2 233.319 1.935 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cn1 ZINC000850352308 588538035 /nfs/dbraw/zinc/53/80/35/588538035.db2.gz RNZZLOQXOYLWPY-PWSUYJOCSA-N 1 2 243.314 1.777 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)OCCCn2cc[nH+]c2)C1 ZINC000885575655 588538215 /nfs/dbraw/zinc/53/82/15/588538215.db2.gz FEXWKMRVVRKPMJ-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)nn1 ZINC000850371794 588540826 /nfs/dbraw/zinc/54/08/26/588540826.db2.gz MBGHKBLXSQMBLB-CHWSQXEVSA-N 1 2 244.298 1.083 20 0 BDADLO Cn1cc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)nn1 ZINC000850371797 588540866 /nfs/dbraw/zinc/54/08/66/588540866.db2.gz MBGHKBLXSQMBLB-STQMWFEESA-N 1 2 244.298 1.083 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)n1 ZINC000850369861 588540881 /nfs/dbraw/zinc/54/08/81/588540881.db2.gz BSZIPGLAVWRQHY-ZIAGYGMSSA-N 1 2 243.310 1.688 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccnc(F)c1 ZINC000109888924 588600477 /nfs/dbraw/zinc/60/04/77/588600477.db2.gz WUPOTSVZMRNDBC-UHFFFAOYSA-N 1 2 233.202 1.574 20 0 BDADLO Cc1ccccc1OCC[N@@H+](C)Cc1cnon1 ZINC000851711407 588615334 /nfs/dbraw/zinc/61/53/34/588615334.db2.gz ZVCJMVJGVDTBLD-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1ccccc1OCC[N@H+](C)Cc1cnon1 ZINC000851711407 588615335 /nfs/dbraw/zinc/61/53/35/588615335.db2.gz ZVCJMVJGVDTBLD-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO c1nonc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000851714732 588615645 /nfs/dbraw/zinc/61/56/45/588615645.db2.gz VBULJZSPLYGXPZ-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(F)n2)[C@@H](C)CO1 ZINC000851716673 588616047 /nfs/dbraw/zinc/61/60/47/588616047.db2.gz PJBZUGPEDLTENC-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(F)n2)[C@@H](C)CO1 ZINC000851716673 588616048 /nfs/dbraw/zinc/61/60/48/588616048.db2.gz PJBZUGPEDLTENC-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOC(F)F ZINC000851749766 588622568 /nfs/dbraw/zinc/62/25/68/588622568.db2.gz LYAVQUPEJJQWHM-UHFFFAOYSA-N 1 2 225.235 1.157 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cccc(F)n1)C2 ZINC000851760841 588624084 /nfs/dbraw/zinc/62/40/84/588624084.db2.gz KELJGVUFKONGQA-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOC(F)F ZINC000851777866 588626908 /nfs/dbraw/zinc/62/69/08/588626908.db2.gz AOBZLXBGKSRQJA-KUTMEBCESA-N 1 2 241.303 1.067 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOC(F)F ZINC000851777866 588626909 /nfs/dbraw/zinc/62/69/09/588626909.db2.gz AOBZLXBGKSRQJA-KUTMEBCESA-N 1 2 241.303 1.067 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H](O)c1ccccn1 ZINC000851781234 588627456 /nfs/dbraw/zinc/62/74/56/588627456.db2.gz RGEXUZYOZILYFB-LBPRGKRZSA-N 1 2 233.271 1.235 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H](O)c1ccccn1 ZINC000851781234 588627457 /nfs/dbraw/zinc/62/74/57/588627457.db2.gz RGEXUZYOZILYFB-LBPRGKRZSA-N 1 2 233.271 1.235 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000851866448 588636705 /nfs/dbraw/zinc/63/67/05/588636705.db2.gz PNUBDVQCEXWIDZ-NXEZZACHSA-N 1 2 238.335 1.396 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000851866448 588636706 /nfs/dbraw/zinc/63/67/06/588636706.db2.gz PNUBDVQCEXWIDZ-NXEZZACHSA-N 1 2 238.335 1.396 20 0 BDADLO c1nonc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000851866893 588636741 /nfs/dbraw/zinc/63/67/41/588636741.db2.gz SSRIMOQFAOHWPW-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000851870770 588637490 /nfs/dbraw/zinc/63/74/90/588637490.db2.gz JLNSQUIETANABU-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000851870770 588637491 /nfs/dbraw/zinc/63/74/91/588637491.db2.gz JLNSQUIETANABU-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1ncc[nH]1 ZINC000851873814 588638251 /nfs/dbraw/zinc/63/82/51/588638251.db2.gz PDMLXUHAKJYLST-CYBMUJFWSA-N 1 2 245.326 1.965 20 0 BDADLO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1ncc[nH]1 ZINC000851873814 588638252 /nfs/dbraw/zinc/63/82/52/588638252.db2.gz PDMLXUHAKJYLST-CYBMUJFWSA-N 1 2 245.326 1.965 20 0 BDADLO Cc1ccc(C[NH2+]C2(C(N)=O)CC2)c(Cl)n1 ZINC000851910097 588642848 /nfs/dbraw/zinc/64/28/48/588642848.db2.gz MUOTZURWLBHOPV-UHFFFAOYSA-N 1 2 239.706 1.151 20 0 BDADLO FC(F)O[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851916187 588643124 /nfs/dbraw/zinc/64/31/24/588643124.db2.gz ZPLWVZPYJQOJFV-MRVPVSSYSA-N 1 2 233.218 1.273 20 0 BDADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851916187 588643125 /nfs/dbraw/zinc/64/31/25/588643125.db2.gz ZPLWVZPYJQOJFV-MRVPVSSYSA-N 1 2 233.218 1.273 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1CCOC(F)F ZINC000851955469 588647307 /nfs/dbraw/zinc/64/73/07/588647307.db2.gz GVQOCEHSSMHKKU-JTQLQIEISA-N 1 2 237.246 1.253 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1CCOC(F)F ZINC000851955469 588647308 /nfs/dbraw/zinc/64/73/08/588647308.db2.gz GVQOCEHSSMHKKU-JTQLQIEISA-N 1 2 237.246 1.253 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cnon2)c1 ZINC000851979370 588651055 /nfs/dbraw/zinc/65/10/55/588651055.db2.gz XGYUJPNXYJDXOT-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cnon2)c1 ZINC000851979370 588651056 /nfs/dbraw/zinc/65/10/56/588651056.db2.gz XGYUJPNXYJDXOT-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CC1(C)C[N@H+](Cc2cnon2)[C@H]1[C@@H]1CCCO1 ZINC000852055784 588658091 /nfs/dbraw/zinc/65/80/91/588658091.db2.gz XBWCRYXBRKVSCS-QWRGUYRKSA-N 1 2 237.303 1.459 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnon2)[C@H]1[C@@H]1CCCO1 ZINC000852055784 588658092 /nfs/dbraw/zinc/65/80/92/588658092.db2.gz XBWCRYXBRKVSCS-QWRGUYRKSA-N 1 2 237.303 1.459 20 0 BDADLO CO[C@@H](C[NH2+][C@]1(C)CCOC1=O)C1CCCC1 ZINC000852062307 588658574 /nfs/dbraw/zinc/65/85/74/588658574.db2.gz CBKZAARQYBDHNV-WCQYABFASA-N 1 2 241.331 1.487 20 0 BDADLO C[Si](C)(C)C[NH2+][C@H](CCO)C(F)(F)F ZINC000852085720 588660840 /nfs/dbraw/zinc/66/08/40/588660840.db2.gz XNYAGGUVYKBMEI-SSDOTTSWSA-N 1 2 229.318 1.767 20 0 BDADLO C[C@@H]([NH2+]CCOC(F)F)c1csnn1 ZINC000852175503 588669411 /nfs/dbraw/zinc/66/94/11/588669411.db2.gz HCUSEULWHFEJEJ-RXMQYKEDSA-N 1 2 223.248 1.428 20 0 BDADLO C[N@H+](Cc1cnon1)C1CC(OC(C)(C)C)C1 ZINC000852185271 588670514 /nfs/dbraw/zinc/67/05/14/588670514.db2.gz WUVULYBADIXDMP-UHFFFAOYSA-N 1 2 239.319 1.848 20 0 BDADLO C[N@@H+](Cc1cnon1)C1CC(OC(C)(C)C)C1 ZINC000852185271 588670515 /nfs/dbraw/zinc/67/05/15/588670515.db2.gz WUVULYBADIXDMP-UHFFFAOYSA-N 1 2 239.319 1.848 20 0 BDADLO C[N@H+](CCc1cccs1)Cc1n[nH]c(=O)o1 ZINC000852191886 588671202 /nfs/dbraw/zinc/67/12/02/588671202.db2.gz OXLQYMNJFNOZIS-UHFFFAOYSA-N 1 2 239.300 1.511 20 0 BDADLO C[N@@H+](CCc1cccs1)Cc1n[nH]c(=O)o1 ZINC000852191886 588671203 /nfs/dbraw/zinc/67/12/03/588671203.db2.gz OXLQYMNJFNOZIS-UHFFFAOYSA-N 1 2 239.300 1.511 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCOC(F)F)n1 ZINC000852218023 588673834 /nfs/dbraw/zinc/67/38/34/588673834.db2.gz QIQCVDUTMUXUJT-LURJTMIESA-N 1 2 235.234 1.610 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCOC(F)F)n1 ZINC000852218023 588673835 /nfs/dbraw/zinc/67/38/35/588673835.db2.gz QIQCVDUTMUXUJT-LURJTMIESA-N 1 2 235.234 1.610 20 0 BDADLO CCOC(=O)[C@@]1(F)C[N@H+](CCF)CC12CCC2 ZINC000852315064 588677319 /nfs/dbraw/zinc/67/73/19/588677319.db2.gz IHXCQXOMRPZLNP-LBPRGKRZSA-N 1 2 247.285 1.713 20 0 BDADLO CCOC(=O)[C@@]1(F)C[N@@H+](CCF)CC12CCC2 ZINC000852315064 588677320 /nfs/dbraw/zinc/67/73/20/588677320.db2.gz IHXCQXOMRPZLNP-LBPRGKRZSA-N 1 2 247.285 1.713 20 0 BDADLO O=C(NCC1=CCCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000852362181 588679947 /nfs/dbraw/zinc/67/99/47/588679947.db2.gz KFZKEZIVYYNISC-NSHDSACASA-N 1 2 246.314 1.737 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1C=CCC1 ZINC000852369364 588680150 /nfs/dbraw/zinc/68/01/50/588680150.db2.gz CLSBJBHINAEGCG-JTQLQIEISA-N 1 2 234.303 1.421 20 0 BDADLO OCCCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000852413257 588681562 /nfs/dbraw/zinc/68/15/62/588681562.db2.gz RLXFOLGSCDEPTI-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000852413257 588681563 /nfs/dbraw/zinc/68/15/63/588681563.db2.gz RLXFOLGSCDEPTI-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO COCC[N@H+](CCF)Cc1ccncc1 ZINC000852483205 588684518 /nfs/dbraw/zinc/68/45/18/588684518.db2.gz CTGMAXQJWNUDKE-UHFFFAOYSA-N 1 2 212.268 1.500 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccncc1 ZINC000852483205 588684519 /nfs/dbraw/zinc/68/45/19/588684519.db2.gz CTGMAXQJWNUDKE-UHFFFAOYSA-N 1 2 212.268 1.500 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCF)CCOC ZINC000852483408 588684586 /nfs/dbraw/zinc/68/45/86/588684586.db2.gz IJDOTHDDYOEPOU-MNOVXSKESA-N 1 2 248.342 1.208 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CCF)CCOC ZINC000852483408 588684587 /nfs/dbraw/zinc/68/45/87/588684587.db2.gz IJDOTHDDYOEPOU-MNOVXSKESA-N 1 2 248.342 1.208 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537047 588689092 /nfs/dbraw/zinc/68/90/92/588689092.db2.gz OJTQKZIKDWOVGQ-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537047 588689093 /nfs/dbraw/zinc/68/90/93/588689093.db2.gz OJTQKZIKDWOVGQ-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nccc(C)n2)C1 ZINC000852697307 588696735 /nfs/dbraw/zinc/69/67/35/588696735.db2.gz ZRIAOPNDRADHMH-PHIMTYICSA-N 1 2 249.314 1.168 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nccc(C)n2)C1 ZINC000852697307 588696736 /nfs/dbraw/zinc/69/67/36/588696736.db2.gz ZRIAOPNDRADHMH-PHIMTYICSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](CCF)CCN1CCF ZINC000852739609 588698347 /nfs/dbraw/zinc/69/83/47/588698347.db2.gz CBGFDBIJFHXPIJ-UWVGGRQHSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](CCF)CCN1CCF ZINC000852739609 588698348 /nfs/dbraw/zinc/69/83/48/588698348.db2.gz CBGFDBIJFHXPIJ-UWVGGRQHSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@](C)(C(F)F)O1 ZINC000852778833 588701930 /nfs/dbraw/zinc/70/19/30/588701930.db2.gz XACYUPAPQMTPEC-VXNVDRBHSA-N 1 2 211.227 1.700 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@](C)(C(F)F)O1 ZINC000852778833 588701931 /nfs/dbraw/zinc/70/19/31/588701931.db2.gz XACYUPAPQMTPEC-VXNVDRBHSA-N 1 2 211.227 1.700 20 0 BDADLO O=C(N1CCC[C@H]1c1[nH]cc[nH+]1)C12CC(C1)C2 ZINC000860551739 589105755 /nfs/dbraw/zinc/10/57/55/589105755.db2.gz GJYWDCVMRPBTBD-QUNCOHTASA-N 1 2 231.299 1.873 20 0 BDADLO Cc1cocc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000860719613 589116110 /nfs/dbraw/zinc/11/61/10/589116110.db2.gz ZXJIBDNQSOBIBD-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO Cc1cocc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000860719613 589116111 /nfs/dbraw/zinc/11/61/11/589116111.db2.gz ZXJIBDNQSOBIBD-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO CS/C=C\C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760949 589176928 /nfs/dbraw/zinc/17/69/28/589176928.db2.gz SBOMAGPDQYCLDP-HYXAFXHYSA-N 1 2 223.301 1.171 20 0 BDADLO CS/C=C\C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760949 589176929 /nfs/dbraw/zinc/17/69/29/589176929.db2.gz SBOMAGPDQYCLDP-HYXAFXHYSA-N 1 2 223.301 1.171 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccnc(F)c1C ZINC000862229169 589195638 /nfs/dbraw/zinc/19/56/38/589195638.db2.gz RDLAMSHSZYVQQP-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccnc(F)c1C ZINC000862229169 589195639 /nfs/dbraw/zinc/19/56/39/589195639.db2.gz RDLAMSHSZYVQQP-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO Cc1[nH]c(CN2CCCc3n[nH]cc32)[nH+]c1C ZINC000862351652 589202551 /nfs/dbraw/zinc/20/25/51/589202551.db2.gz OWIXRGZYHVBBOM-UHFFFAOYSA-N 1 2 231.303 1.702 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccnc(F)c2)C1 ZINC000862397476 589208789 /nfs/dbraw/zinc/20/87/89/589208789.db2.gz ITVQHUQNGPJMTI-UHFFFAOYSA-N 1 2 238.262 1.216 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cc(Cl)n(C)n1 ZINC000863459654 589289844 /nfs/dbraw/zinc/28/98/44/589289844.db2.gz QEKAUMQAORWGBN-ZCFIWIBFSA-N 1 2 246.698 1.107 20 0 BDADLO COC1CC(O[NH+]=C(N)COC(C)(C)C)C1 ZINC000863468360 589290676 /nfs/dbraw/zinc/29/06/76/589290676.db2.gz WMDSQLXDTQTXCB-UHFFFAOYSA-N 1 2 230.308 1.477 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CCO)cc1F ZINC000863468137 589290722 /nfs/dbraw/zinc/29/07/22/589290722.db2.gz QJXCZFUSMQBCHA-UHFFFAOYSA-N 1 2 226.251 1.515 20 0 BDADLO C[C@H]1C[C@@H]1CON=C(N)C[NH+]1CCSCC1 ZINC000863467603 589290898 /nfs/dbraw/zinc/29/08/98/589290898.db2.gz CIJKLIRMIHYTAE-VHSXEESVSA-N 1 2 243.376 1.190 20 0 BDADLO CCO[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)C1CC1 ZINC000863472261 589291060 /nfs/dbraw/zinc/29/10/60/589291060.db2.gz ATNAYTLHDDWROZ-QWRGUYRKSA-N 1 2 242.319 1.479 20 0 BDADLO COC1(C(N)=[NH+]O[C@@H]2CCOC2)CCCC1 ZINC000863477697 589291959 /nfs/dbraw/zinc/29/19/59/589291959.db2.gz UACMLZLVEVVWSA-SECBINFHSA-N 1 2 228.292 1.233 20 0 BDADLO COC1(C(N)=[NH+]OC(C)C)CCCC1 ZINC000863477913 589292289 /nfs/dbraw/zinc/29/22/89/589292289.db2.gz BMOWKENOEPKQQD-UHFFFAOYSA-N 1 2 200.282 1.852 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@H](O)c1ccccn1 ZINC000863577692 589301284 /nfs/dbraw/zinc/30/12/84/589301284.db2.gz HHSPFUHNVNQORJ-JTQLQIEISA-N 1 2 230.258 1.750 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2ccns2)c[nH+]1 ZINC000863608598 589303812 /nfs/dbraw/zinc/30/38/12/589303812.db2.gz OGWLCLZQUZVJTN-ZCFIWIBFSA-N 1 2 236.300 1.666 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2scnc2Cl)C1 ZINC000864050902 589335321 /nfs/dbraw/zinc/33/53/21/589335321.db2.gz VDIZUUXKWBKYTM-UHFFFAOYSA-N 1 2 245.735 1.104 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@]12C[C@@H]1CCCC2 ZINC000864063799 589337303 /nfs/dbraw/zinc/33/73/03/589337303.db2.gz NAFWTBMQBYAMML-CABZTGNLSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@]12C[C@@H]1CCCC2 ZINC000864063799 589337304 /nfs/dbraw/zinc/33/73/04/589337304.db2.gz NAFWTBMQBYAMML-CABZTGNLSA-N 1 2 219.288 1.401 20 0 BDADLO CCC(C)(C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000864068667 589338489 /nfs/dbraw/zinc/33/84/89/589338489.db2.gz URVNCFDOTCTLJC-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO CCC(C)(C)[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000864068667 589338491 /nfs/dbraw/zinc/33/84/91/589338491.db2.gz URVNCFDOTCTLJC-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO C[C@@]1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1(F)F ZINC000864074674 589340017 /nfs/dbraw/zinc/34/00/17/589340017.db2.gz ZVHVTLBPGASWFP-SNVBAGLBSA-N 1 2 243.257 1.504 20 0 BDADLO C[C@@]1(CCNC(=O)Cc2c[nH+]c[nH]2)CC1(F)F ZINC000864074674 589340019 /nfs/dbraw/zinc/34/00/19/589340019.db2.gz ZVHVTLBPGASWFP-SNVBAGLBSA-N 1 2 243.257 1.504 20 0 BDADLO CCCN(CC1CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864450605 589364443 /nfs/dbraw/zinc/36/44/43/589364443.db2.gz RHBOQJOKMSANCT-LLVKDONJSA-N 1 2 237.303 1.092 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)nc1 ZINC000120076048 589372857 /nfs/dbraw/zinc/37/28/57/589372857.db2.gz HSEVEFPQXMKXJQ-UHFFFAOYSA-N 1 2 245.326 1.310 20 0 BDADLO C[C@@H](N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)(C)C ZINC000864777012 589394154 /nfs/dbraw/zinc/39/41/54/589394154.db2.gz HUJFATFUNUOTJK-PSASIEDQSA-N 1 2 239.319 1.336 20 0 BDADLO Cc1cc(F)ncc1C(=O)NCCn1cc[nH+]c1 ZINC000864867652 589398728 /nfs/dbraw/zinc/39/87/28/589398728.db2.gz MSXWQJKKJRKOJG-UHFFFAOYSA-N 1 2 248.261 1.156 20 0 BDADLO CC/C=C(\F)C(=O)NCCn1cc[nH+]c1 ZINC000864866948 589398744 /nfs/dbraw/zinc/39/87/44/589398744.db2.gz GBKRXVZZTPNEET-OQFOIZHKSA-N 1 2 211.240 1.263 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000864868551 589399082 /nfs/dbraw/zinc/39/90/82/589399082.db2.gz VWOJFMZASNVTEM-NOOOWODRSA-N 1 2 233.315 1.291 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864885272 589399817 /nfs/dbraw/zinc/39/98/17/589399817.db2.gz VPKBSVDWPOGNRD-YNYSXPKMSA-N 1 2 225.267 1.651 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000865092421 589408691 /nfs/dbraw/zinc/40/86/91/589408691.db2.gz PZSRWSRSFJVXMT-CGGZTBSLSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000865092421 589408692 /nfs/dbraw/zinc/40/86/92/589408692.db2.gz PZSRWSRSFJVXMT-CGGZTBSLSA-N 1 2 244.310 1.087 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C1CCC1 ZINC000865149109 589411595 /nfs/dbraw/zinc/41/15/95/589411595.db2.gz BMWPRDYSFGYNIZ-VXGBXAGGSA-N 1 2 249.314 1.234 20 0 BDADLO CC/C=C(\F)C(=O)NCc1[nH+]ccn1C ZINC000865158136 589412165 /nfs/dbraw/zinc/41/21/65/589412165.db2.gz IZZAUOIAPAMACL-YWEYNIOJSA-N 1 2 211.240 1.300 20 0 BDADLO CCC(C)(C)NC(=S)N(C)Cc1[nH]cc[nH+]1 ZINC000865262194 589417075 /nfs/dbraw/zinc/41/70/75/589417075.db2.gz JVQODLZJXBUMGY-UHFFFAOYSA-N 1 2 240.376 1.905 20 0 BDADLO CCn1c[nH+]cc1CNc1cncc(Cl)n1 ZINC000865293894 589420374 /nfs/dbraw/zinc/42/03/74/589420374.db2.gz ATYNLCXMPYZNTO-UHFFFAOYSA-N 1 2 237.694 1.959 20 0 BDADLO O=C1OCC[C@@H]1CC[N@@H+](CC(F)F)C1CC1 ZINC000120511608 589423772 /nfs/dbraw/zinc/42/37/72/589423772.db2.gz BKXWBWPMXNRZGD-QMMMGPOBSA-N 1 2 233.258 1.669 20 0 BDADLO O=C1OCC[C@@H]1CC[N@H+](CC(F)F)C1CC1 ZINC000120511608 589423773 /nfs/dbraw/zinc/42/37/73/589423773.db2.gz BKXWBWPMXNRZGD-QMMMGPOBSA-N 1 2 233.258 1.669 20 0 BDADLO COc1cc(COCc2[nH]cc[nH+]2)sn1 ZINC000865362138 589426209 /nfs/dbraw/zinc/42/62/09/589426209.db2.gz MHSRDBIVKIPVKV-UHFFFAOYSA-N 1 2 225.273 1.592 20 0 BDADLO CC(C)(C)c1cn(C[C@H]2CNC(=O)O2)c[nH+]1 ZINC000865376601 589428715 /nfs/dbraw/zinc/42/87/15/589428715.db2.gz VKPBQTSFLPRYCH-MRVPVSSYSA-N 1 2 223.276 1.289 20 0 BDADLO Cn1cc(NCc2cn(C3CC3)c[nH+]2)cn1 ZINC000865444953 589436401 /nfs/dbraw/zinc/43/64/01/589436401.db2.gz HNIFCVCLZURVLG-UHFFFAOYSA-N 1 2 217.276 1.564 20 0 BDADLO CCc1csc(-n2c[nH+]c(CCCO)c2)n1 ZINC000865523583 589442698 /nfs/dbraw/zinc/44/26/98/589442698.db2.gz AFQCBVYAQHZLID-UHFFFAOYSA-N 1 2 237.328 1.816 20 0 BDADLO C[C@@H](O)c1ccc(N(C)Cc2cc[nH]n2)[nH+]c1 ZINC000865535847 589444115 /nfs/dbraw/zinc/44/41/15/589444115.db2.gz UWTNROCVNBQBOF-SECBINFHSA-N 1 2 232.287 1.494 20 0 BDADLO C[C@H](O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000865542305 589444696 /nfs/dbraw/zinc/44/46/96/589444696.db2.gz PXWFODJMWAECEU-VIFPVBQESA-N 1 2 232.287 1.494 20 0 BDADLO Cn1ncc2cc(C[NH2+]C(CF)CF)cnc21 ZINC000865582616 589448759 /nfs/dbraw/zinc/44/87/59/589448759.db2.gz DXFCVAJEEOJKQA-UHFFFAOYSA-N 1 2 240.257 1.366 20 0 BDADLO CC(C)Cc1cc(NCCc2nnc[nH]2)nc[nH+]1 ZINC000865613103 589451182 /nfs/dbraw/zinc/45/11/82/589451182.db2.gz TYWYHUFVMSJYLK-UHFFFAOYSA-N 1 2 246.318 1.448 20 0 BDADLO Nc1nc(N[C@@H]2CCOC2)nc(C2CCCC2)[nH+]1 ZINC000865635811 589453052 /nfs/dbraw/zinc/45/30/52/589453052.db2.gz HKAQJXFBDBZSDN-SECBINFHSA-N 1 2 249.318 1.312 20 0 BDADLO Nc1nc(N[C@@H]2CCOC2)[nH+]c(C2CCCC2)n1 ZINC000865635811 589453053 /nfs/dbraw/zinc/45/30/53/589453053.db2.gz HKAQJXFBDBZSDN-SECBINFHSA-N 1 2 249.318 1.312 20 0 BDADLO CN(C)c1ccc(F)cc1C[NH2+]Cc1cnn[nH]1 ZINC000865637867 589453553 /nfs/dbraw/zinc/45/35/53/589453553.db2.gz OSIHVKLTEFVVAP-UHFFFAOYSA-N 1 2 249.293 1.300 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC000865697328 589457293 /nfs/dbraw/zinc/45/72/93/589457293.db2.gz XSKRBMLWMPNFDG-WDEREUQCSA-N 1 2 240.326 1.977 20 0 BDADLO CC(C)Cc1cc(NCCCCO)nc[nH+]1 ZINC000865732850 589458863 /nfs/dbraw/zinc/45/88/63/589458863.db2.gz MAWMIYRYMWSKRH-UHFFFAOYSA-N 1 2 223.320 1.860 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2ccnn2C)[nH]c1C ZINC000865837532 589464142 /nfs/dbraw/zinc/46/41/42/589464142.db2.gz HOMPZTOOERBNFW-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2ccnn2C)[nH+]c1C ZINC000865837532 589464143 /nfs/dbraw/zinc/46/41/43/589464143.db2.gz HOMPZTOOERBNFW-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO Cn1c[nH+]c(CCNc2ccc(F)nn2)c1 ZINC000865868603 589466056 /nfs/dbraw/zinc/46/60/56/589466056.db2.gz RPUGDXCLAAQPGH-UHFFFAOYSA-N 1 2 221.239 1.004 20 0 BDADLO Nc1nc(N[C@H]2C[C@H](O)C2)nc(C2CCCC2)[nH+]1 ZINC000865955867 589470186 /nfs/dbraw/zinc/47/01/86/589470186.db2.gz QGYIWMYICKMRRE-KYZUINATSA-N 1 2 249.318 1.047 20 0 BDADLO Nc1nc(N[C@H]2C[C@H](O)C2)[nH+]c(C2CCCC2)n1 ZINC000865955867 589470187 /nfs/dbraw/zinc/47/01/87/589470187.db2.gz QGYIWMYICKMRRE-KYZUINATSA-N 1 2 249.318 1.047 20 0 BDADLO CCc1cc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nc[nH+]1 ZINC000866043481 589473828 /nfs/dbraw/zinc/47/38/28/589473828.db2.gz KSSIUZCXQQRTIP-RZFPVDMASA-N 1 2 245.326 1.874 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)nn1C ZINC000866612806 589504651 /nfs/dbraw/zinc/50/46/51/589504651.db2.gz BSVJBESBEPMDCG-MNOVXSKESA-N 1 2 247.346 1.874 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccnn1C ZINC000866614519 589505017 /nfs/dbraw/zinc/50/50/17/589505017.db2.gz MSXJSWDHRKNNGJ-GARJFASQSA-N 1 2 245.330 1.973 20 0 BDADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1(C)CCCC1 ZINC000867895990 589538721 /nfs/dbraw/zinc/53/87/21/589538721.db2.gz DCIVSHPYNUOSPE-SNVBAGLBSA-N 1 2 237.303 1.234 20 0 BDADLO CCC(CC)N(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868398668 589556722 /nfs/dbraw/zinc/55/67/22/589556722.db2.gz UYYDVLLWNWFJLV-NSHDSACASA-N 1 2 239.319 1.480 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868619674 589568343 /nfs/dbraw/zinc/56/83/43/589568343.db2.gz IHDYZKDVWWHUTG-WTPMCQDGSA-N 1 2 245.326 1.736 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000869101773 589589210 /nfs/dbraw/zinc/58/92/10/589589210.db2.gz QKADRUJUBJDEDA-GRXJFFANSA-N 1 2 237.278 1.578 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCC2CC2)C1 ZINC000869418321 589604760 /nfs/dbraw/zinc/60/47/60/589604760.db2.gz RHQFLYGTOOVGDF-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCC2CC2)C1 ZINC000869418321 589604762 /nfs/dbraw/zinc/60/47/62/589604762.db2.gz RHQFLYGTOOVGDF-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO CCCOC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000869972242 589640590 /nfs/dbraw/zinc/64/05/90/589640590.db2.gz APUAHDQMSWBXHO-UHFFFAOYSA-N 1 2 236.246 1.969 20 0 BDADLO CCC(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870147168 589645903 /nfs/dbraw/zinc/64/59/03/589645903.db2.gz LVLUJYKVCLTNEW-CYBMUJFWSA-N 1 2 248.326 1.578 20 0 BDADLO Cc1conc1C(=O)OCc1c[nH+]cn1C ZINC000870219812 589650016 /nfs/dbraw/zinc/65/00/16/589650016.db2.gz HPBWCMUQMYTYFH-UHFFFAOYSA-N 1 2 221.216 1.074 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000870220389 589650018 /nfs/dbraw/zinc/65/00/18/589650018.db2.gz VSHVVKMWKHPTIS-KLHWPWHYSA-N 1 2 234.299 1.755 20 0 BDADLO Cc1cc(F)ncc1C(=O)OCc1c[nH+]cn1C ZINC000870219669 589650104 /nfs/dbraw/zinc/65/01/04/589650104.db2.gz DAHAXOMJKHQWRF-UHFFFAOYSA-N 1 2 249.245 1.620 20 0 BDADLO CCCNc1cc(NC2(CO)CCC2)nc[nH+]1 ZINC000123420274 589704052 /nfs/dbraw/zinc/70/40/52/589704052.db2.gz VDUDIPBLUMJJJC-UHFFFAOYSA-N 1 2 236.319 1.625 20 0 BDADLO CCCNc1cc(NC2(CO)CCC2)[nH+]cn1 ZINC000123420274 589704053 /nfs/dbraw/zinc/70/40/53/589704053.db2.gz VDUDIPBLUMJJJC-UHFFFAOYSA-N 1 2 236.319 1.625 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccnc(F)c1 ZINC000871004325 589708734 /nfs/dbraw/zinc/70/87/34/589708734.db2.gz JPSHXYLYTARJJP-UHFFFAOYSA-N 1 2 248.261 1.124 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CCC2(CC2)CC1 ZINC000871016586 589711946 /nfs/dbraw/zinc/71/19/46/589711946.db2.gz DVGYHVNKARVCNC-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871522020 589764215 /nfs/dbraw/zinc/76/42/15/589764215.db2.gz ZURNEIWXOOFZKU-TXEJJXNPSA-N 1 2 245.326 1.767 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871522020 589764216 /nfs/dbraw/zinc/76/42/16/589764216.db2.gz ZURNEIWXOOFZKU-TXEJJXNPSA-N 1 2 245.326 1.767 20 0 BDADLO O=[S@](Cc1[nH+]ccn1CC(F)F)CC1CC1 ZINC000871612308 589776497 /nfs/dbraw/zinc/77/64/97/589776497.db2.gz WDJGPBLZIBIKRX-INIZCTEOSA-N 1 2 248.298 1.807 20 0 BDADLO CNC(=O)CSCc1[nH+]ccn1CC(F)F ZINC000871670575 589787599 /nfs/dbraw/zinc/78/75/99/589787599.db2.gz ZPVBYXZPFORZMX-UHFFFAOYSA-N 1 2 249.286 1.127 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCO[C@@H]1C ZINC000871727961 589799756 /nfs/dbraw/zinc/79/97/56/589799756.db2.gz OTNDZSDJSCPBJO-ZJUUUORDSA-N 1 2 230.308 1.335 20 0 BDADLO NC(COC1CCC1)=[NH+]OCC1CCOCC1 ZINC000871774465 589812819 /nfs/dbraw/zinc/81/28/19/589812819.db2.gz DGYYSTASZFAUHU-UHFFFAOYSA-N 1 2 242.319 1.481 20 0 BDADLO Cc1nonc1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000872135241 589878045 /nfs/dbraw/zinc/87/80/45/589878045.db2.gz CTQPSCCDNYPGBQ-VIFPVBQESA-N 1 2 233.275 1.268 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NCc1nonc1C ZINC000872137857 589879932 /nfs/dbraw/zinc/87/99/32/589879932.db2.gz XHEZQKCHQFXXIN-VIFPVBQESA-N 1 2 235.291 1.445 20 0 BDADLO CC(=O)C1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000872799865 589971299 /nfs/dbraw/zinc/97/12/99/589971299.db2.gz NCDOALFTYAYGNG-UHFFFAOYSA-N 1 2 239.344 1.430 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CC12CCC2 ZINC000873016865 589980274 /nfs/dbraw/zinc/98/02/74/589980274.db2.gz RLBBIDLVYNUIPQ-JTQLQIEISA-N 1 2 234.303 1.162 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnc(N)cn2)nc1 ZINC000873208286 589994321 /nfs/dbraw/zinc/99/43/21/589994321.db2.gz LHEVXTQSRIYTRA-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnc(N)cn2)nc1 ZINC000873208286 589994323 /nfs/dbraw/zinc/99/43/23/589994323.db2.gz LHEVXTQSRIYTRA-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ccc(CCC[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c[nH+]1 ZINC000874045939 590086764 /nfs/dbraw/zinc/08/67/64/590086764.db2.gz JHDNUFYSCJUGCJ-BETUJISGSA-N 1 2 248.326 1.775 20 0 BDADLO Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@H](C(=O)[O-])C1 ZINC000874055254 590089383 /nfs/dbraw/zinc/08/93/83/590089383.db2.gz VYEJOFMKFXXTRJ-JOCQHMNTSA-N 1 2 248.326 1.775 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@H](C)C2)[nH+]c1 ZINC000124924058 590102211 /nfs/dbraw/zinc/10/22/11/590102211.db2.gz QGJRFKIIXIIBMB-UWVGGRQHSA-N 1 2 206.289 1.981 20 0 BDADLO CCCn1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000125137055 590125680 /nfs/dbraw/zinc/12/56/80/590125680.db2.gz DXVHLGPHPHLEAM-UHFFFAOYSA-N 1 2 205.265 1.628 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CC12CCC2)n1cc[nH+]c1 ZINC000874771309 590127274 /nfs/dbraw/zinc/12/72/74/590127274.db2.gz CVLFREPFFDMXQF-MNOVXSKESA-N 1 2 233.315 1.893 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000874779056 590130811 /nfs/dbraw/zinc/13/08/11/590130811.db2.gz WFFJSDLUCYXWHH-ZYHUDNBSSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC12CCC2 ZINC000874780100 590131226 /nfs/dbraw/zinc/13/12/26/590131226.db2.gz LKCGUJBAZTZLII-SNVBAGLBSA-N 1 2 219.288 1.319 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC12CCC2 ZINC000874780100 590131229 /nfs/dbraw/zinc/13/12/29/590131229.db2.gz LKCGUJBAZTZLII-SNVBAGLBSA-N 1 2 219.288 1.319 20 0 BDADLO CC1(NC(=O)Cn2cc[nH+]c2)CC(F)(F)C1 ZINC000874852457 590146942 /nfs/dbraw/zinc/14/69/42/590146942.db2.gz KQSUHSHIVGMGNH-UHFFFAOYSA-N 1 2 229.230 1.187 20 0 BDADLO CC1(NC(=O)CCn2cc[nH+]c2)CC(F)(F)C1 ZINC000874855858 590148253 /nfs/dbraw/zinc/14/82/53/590148253.db2.gz NPVDSYCKIFMOFO-UHFFFAOYSA-N 1 2 243.257 1.577 20 0 BDADLO Cc1ccnc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000125254384 590159712 /nfs/dbraw/zinc/15/97/12/590159712.db2.gz OZMANYXGMNUVNY-MRVPVSSYSA-N 1 2 203.249 1.681 20 0 BDADLO C[C@H](O)[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877185086 590298581 /nfs/dbraw/zinc/29/85/81/590298581.db2.gz PHULUHCAINOXQU-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877185086 590298583 /nfs/dbraw/zinc/29/85/83/590298583.db2.gz PHULUHCAINOXQU-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877185081 590298688 /nfs/dbraw/zinc/29/86/88/590298688.db2.gz PHULUHCAINOXQU-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877185081 590298689 /nfs/dbraw/zinc/29/86/89/590298689.db2.gz PHULUHCAINOXQU-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H](C)[C@H](C[NH2+][C@@H](C)C(=O)OC)OC ZINC000877476824 590335640 /nfs/dbraw/zinc/33/56/40/590335640.db2.gz OLORGBGFKXLMAO-UTLUCORTSA-N 1 2 217.309 1.199 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000877469481 590334796 /nfs/dbraw/zinc/33/47/96/590334796.db2.gz OGZYCUPXOXOWJR-GRYCIOLGSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000877471095 590335062 /nfs/dbraw/zinc/33/50/62/590335062.db2.gz OLXWILMNJMLELD-UWVGGRQHSA-N 1 2 211.305 1.860 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH2+][C@@H](C)C(=O)OC)OC ZINC000877476823 590335842 /nfs/dbraw/zinc/33/58/42/590335842.db2.gz OLORGBGFKXLMAO-KXUCPTDWSA-N 1 2 217.309 1.199 20 0 BDADLO Clc1ccc(CN2CCn3c[nH+]cc3C2)nn1 ZINC000877538679 590350648 /nfs/dbraw/zinc/35/06/48/590350648.db2.gz AYNPVENUWDRLQR-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000877613885 590373623 /nfs/dbraw/zinc/37/36/23/590373623.db2.gz RYXFVXLVIQJSEQ-UWVGGRQHSA-N 1 2 228.336 1.468 20 0 BDADLO CCC[C@H]([NH2+]CC(=O)NOCC)[C@@H]1CC1(C)C ZINC000877613455 590373745 /nfs/dbraw/zinc/37/37/45/590373745.db2.gz JHHVKODBVWJWRO-QWRGUYRKSA-N 1 2 242.363 1.859 20 0 BDADLO CCCn1cc(C[N@H+](C[C@H](C)O)C2CC2)nn1 ZINC000877621898 590376085 /nfs/dbraw/zinc/37/60/85/590376085.db2.gz YAHFRGDCNUZZQN-JTQLQIEISA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1cc(C[N@@H+](C[C@H](C)O)C2CC2)nn1 ZINC000877621898 590376088 /nfs/dbraw/zinc/37/60/88/590376088.db2.gz YAHFRGDCNUZZQN-JTQLQIEISA-N 1 2 238.335 1.033 20 0 BDADLO CC1([NH2+]Cc2ccc(Cl)nn2)COC1 ZINC000877691912 590392920 /nfs/dbraw/zinc/39/29/20/590392920.db2.gz XJIQRIXCEBXWFR-UHFFFAOYSA-N 1 2 213.668 1.009 20 0 BDADLO Cn1ncc(C[NH+]2CCC(C)(F)CC2)n1 ZINC000877700364 590394524 /nfs/dbraw/zinc/39/45/24/590394524.db2.gz NYZATERZBDLVAQ-UHFFFAOYSA-N 1 2 212.272 1.139 20 0 BDADLO CCCn1cc(C[NH+]2CC(C)(C)C2)nn1 ZINC000877717079 590400090 /nfs/dbraw/zinc/40/00/90/590400090.db2.gz FRJLWMYZOFBQHJ-UHFFFAOYSA-N 1 2 208.309 1.530 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737229 590405476 /nfs/dbraw/zinc/40/54/76/590405476.db2.gz HKVODKGZXJJJHD-BDAKNGLRSA-N 1 2 241.385 1.723 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737229 590405477 /nfs/dbraw/zinc/40/54/77/590405477.db2.gz HKVODKGZXJJJHD-BDAKNGLRSA-N 1 2 241.385 1.723 20 0 BDADLO Cn1cc[nH+]c1CN1CC(OC(C)(C)C)C1 ZINC000877772083 590422576 /nfs/dbraw/zinc/42/25/76/590422576.db2.gz MSKZJXANCMZTSD-UHFFFAOYSA-N 1 2 223.320 1.419 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812922 590427612 /nfs/dbraw/zinc/42/76/12/590427612.db2.gz UZDNTDDGUQENSW-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812922 590427613 /nfs/dbraw/zinc/42/76/13/590427613.db2.gz UZDNTDDGUQENSW-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO COC[C@@H](COCc1[nH]cc[nH+]1)C(C)C ZINC000877883865 590438580 /nfs/dbraw/zinc/43/85/80/590438580.db2.gz NGJWELDATVGENA-JTQLQIEISA-N 1 2 212.293 1.845 20 0 BDADLO COCC[NH+](CCOC)Cc1nocc1C ZINC000877915646 590446675 /nfs/dbraw/zinc/44/66/75/590446675.db2.gz XTQAZHPEXUFTSV-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO OCC[N@H+](Cc1nc2c(o1)CCCC2)C1CC1 ZINC000877961971 590459584 /nfs/dbraw/zinc/45/95/84/590459584.db2.gz UMMBBYUXJZSJCM-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO OCC[N@@H+](Cc1nc2c(o1)CCCC2)C1CC1 ZINC000877961971 590459585 /nfs/dbraw/zinc/45/95/85/590459585.db2.gz UMMBBYUXJZSJCM-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO OCC[N@H+](Cc1nccn1CC(F)F)C1CC1 ZINC000877961617 590459813 /nfs/dbraw/zinc/45/98/13/590459813.db2.gz PQTSHTBIVNJRFL-UHFFFAOYSA-N 1 2 245.273 1.105 20 0 BDADLO OCC[N@@H+](Cc1nccn1CC(F)F)C1CC1 ZINC000877961617 590459815 /nfs/dbraw/zinc/45/98/15/590459815.db2.gz PQTSHTBIVNJRFL-UHFFFAOYSA-N 1 2 245.273 1.105 20 0 BDADLO Cc1conc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000877973225 590463103 /nfs/dbraw/zinc/46/31/03/590463103.db2.gz WYJDSQMGZYVDPA-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1conc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000877973225 590463105 /nfs/dbraw/zinc/46/31/05/590463105.db2.gz WYJDSQMGZYVDPA-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878020039 590472649 /nfs/dbraw/zinc/47/26/49/590472649.db2.gz FZFNLXOJMWPYBN-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878020039 590472651 /nfs/dbraw/zinc/47/26/51/590472651.db2.gz FZFNLXOJMWPYBN-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878040487 590478210 /nfs/dbraw/zinc/47/82/10/590478210.db2.gz LWJKTJOPSVPPJF-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000878040487 590478212 /nfs/dbraw/zinc/47/82/12/590478212.db2.gz LWJKTJOPSVPPJF-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000878040751 590478346 /nfs/dbraw/zinc/47/83/46/590478346.db2.gz NJVWEPDCCQSEHV-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000878040751 590478347 /nfs/dbraw/zinc/47/83/47/590478347.db2.gz NJVWEPDCCQSEHV-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO O=C1CC[N@H+](Cc2scnc2Cl)CCN1 ZINC000878049899 590482299 /nfs/dbraw/zinc/48/22/99/590482299.db2.gz NYIOECMMPNUTRY-UHFFFAOYSA-N 1 2 245.735 1.118 20 0 BDADLO O=C1CC[N@@H+](Cc2scnc2Cl)CCN1 ZINC000878049899 590482300 /nfs/dbraw/zinc/48/23/00/590482300.db2.gz NYIOECMMPNUTRY-UHFFFAOYSA-N 1 2 245.735 1.118 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nocc2C)C[C@@H](C)O1 ZINC000878095237 590491592 /nfs/dbraw/zinc/49/15/92/590491592.db2.gz VJACMBSZVDZMEQ-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nocc2C)C[C@@H](C)O1 ZINC000878095237 590491594 /nfs/dbraw/zinc/49/15/94/590491594.db2.gz VJACMBSZVDZMEQ-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO O=S1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878093356 590491997 /nfs/dbraw/zinc/49/19/97/590491997.db2.gz IUMTZUBGPAVFMX-SRVKXCTJSA-N 1 2 243.372 1.008 20 0 BDADLO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878156153 590508705 /nfs/dbraw/zinc/50/87/05/590508705.db2.gz IXQWFSQZUUVCHQ-UWVGGRQHSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878156153 590508707 /nfs/dbraw/zinc/50/87/07/590508707.db2.gz IXQWFSQZUUVCHQ-UWVGGRQHSA-N 1 2 246.376 1.361 20 0 BDADLO O[C@@H](C[C@H](O)c1ccccc1)Cn1cc[nH+]c1 ZINC000878208481 590523846 /nfs/dbraw/zinc/52/38/46/590523846.db2.gz VMRDFMOTYUGRHX-STQMWFEESA-N 1 2 232.283 1.368 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CC[C@@H](O)C(C)C)no1 ZINC000878238800 590528043 /nfs/dbraw/zinc/52/80/43/590528043.db2.gz DSPAVQXLTSJTKQ-SNVBAGLBSA-N 1 2 241.335 1.610 20 0 BDADLO CCC(F)(F)C[NH2+]C1(C(N)=O)CCCC1 ZINC000878255376 590529345 /nfs/dbraw/zinc/52/93/45/590529345.db2.gz GTIAIHCWVFRWBR-UHFFFAOYSA-N 1 2 220.263 1.419 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000878458715 590571054 /nfs/dbraw/zinc/57/10/54/590571054.db2.gz SYAKWOVJFKHJCD-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000878458715 590571055 /nfs/dbraw/zinc/57/10/55/590571055.db2.gz SYAKWOVJFKHJCD-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO C=C/C=C\CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493888 590579811 /nfs/dbraw/zinc/57/98/11/590579811.db2.gz WZGGAORSXDNOST-UMBAGQNISA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C\CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493888 590579813 /nfs/dbraw/zinc/57/98/13/590579813.db2.gz WZGGAORSXDNOST-UMBAGQNISA-N 1 2 217.259 1.821 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000878545919 590589919 /nfs/dbraw/zinc/58/99/19/590589919.db2.gz FCINHYQBQARBNB-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000878545919 590589920 /nfs/dbraw/zinc/58/99/20/590589920.db2.gz FCINHYQBQARBNB-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@](CO)([NH2+]Cc1cnc[nH]1)c1cccc(O)c1 ZINC000878622575 590597001 /nfs/dbraw/zinc/59/70/01/590597001.db2.gz QFAZMMZAGBBLEU-CYBMUJFWSA-N 1 2 247.298 1.113 20 0 BDADLO C[N@H+](CCc1cnccn1)[C@H]1CC(C)(C)OC1=O ZINC000878644928 590600571 /nfs/dbraw/zinc/60/05/71/590600571.db2.gz DIEKKDSLLZUXOV-NSHDSACASA-N 1 2 249.314 1.045 20 0 BDADLO C[N@@H+](CCc1cnccn1)[C@H]1CC(C)(C)OC1=O ZINC000878644928 590600572 /nfs/dbraw/zinc/60/05/72/590600572.db2.gz DIEKKDSLLZUXOV-NSHDSACASA-N 1 2 249.314 1.045 20 0 BDADLO c1ncc(C[NH+]2CCC(OC3CCC3)CC2)[nH]1 ZINC000878716602 590615418 /nfs/dbraw/zinc/61/54/18/590615418.db2.gz KMDQCHMJWVGGAK-UHFFFAOYSA-N 1 2 235.331 1.943 20 0 BDADLO Cc1conc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000878763301 590619797 /nfs/dbraw/zinc/61/97/97/590619797.db2.gz YVEZBHFINJWADS-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1conc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000878763301 590619799 /nfs/dbraw/zinc/61/97/99/590619799.db2.gz YVEZBHFINJWADS-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878790680 590621328 /nfs/dbraw/zinc/62/13/28/590621328.db2.gz RKTCOVMWODYYPG-UHFFFAOYSA-N 1 2 216.712 1.341 20 0 BDADLO CCCNC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878790680 590621329 /nfs/dbraw/zinc/62/13/29/590621329.db2.gz RKTCOVMWODYYPG-UHFFFAOYSA-N 1 2 216.712 1.341 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCO1 ZINC000878968942 590662681 /nfs/dbraw/zinc/66/26/81/590662681.db2.gz GEWSMJGUDQSOGZ-RVMXOQNASA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCO1 ZINC000878968942 590662682 /nfs/dbraw/zinc/66/26/82/590662682.db2.gz GEWSMJGUDQSOGZ-RVMXOQNASA-N 1 2 241.331 1.249 20 0 BDADLO CCON(CC)C(=O)Nc1cc[nH+]cc1C ZINC000879073369 590693315 /nfs/dbraw/zinc/69/33/15/590693315.db2.gz SPJGYEOXXJSQKI-UHFFFAOYSA-N 1 2 223.276 1.617 20 0 BDADLO O=C(COC1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000879106897 590698395 /nfs/dbraw/zinc/69/83/95/590698395.db2.gz YYCFSHCCDRCJDC-UHFFFAOYSA-N 1 2 249.314 1.295 20 0 BDADLO O=C(COC1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000879106897 590698398 /nfs/dbraw/zinc/69/83/98/590698398.db2.gz YYCFSHCCDRCJDC-UHFFFAOYSA-N 1 2 249.314 1.295 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCCC(=O)N(C)C ZINC000879188079 590709437 /nfs/dbraw/zinc/70/94/37/590709437.db2.gz HBAIJVWFDKYKJI-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@@H]1CCOC1=O ZINC000879186384 590710274 /nfs/dbraw/zinc/71/02/74/590710274.db2.gz JITIXQAAJZXQRO-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000879186384 590710278 /nfs/dbraw/zinc/71/02/78/590710278.db2.gz JITIXQAAJZXQRO-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cnoc1C ZINC000879187987 590710741 /nfs/dbraw/zinc/71/07/41/590710741.db2.gz FGVYSVOXUOBOTA-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cnoc1C ZINC000879187987 590710742 /nfs/dbraw/zinc/71/07/42/590710742.db2.gz FGVYSVOXUOBOTA-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)n1 ZINC000879325426 590746404 /nfs/dbraw/zinc/74/64/04/590746404.db2.gz NHEJUKFRWQAQLC-JQWIXIFHSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)n1 ZINC000879325426 590746407 /nfs/dbraw/zinc/74/64/07/590746407.db2.gz NHEJUKFRWQAQLC-JQWIXIFHSA-N 1 2 238.335 1.297 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478986 590777428 /nfs/dbraw/zinc/77/74/28/590777428.db2.gz JBXSCFDVLIOKEY-ZDUSSCGKSA-N 1 2 236.290 1.433 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478986 590777431 /nfs/dbraw/zinc/77/74/31/590777431.db2.gz JBXSCFDVLIOKEY-ZDUSSCGKSA-N 1 2 236.290 1.433 20 0 BDADLO COCCC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501172 590782706 /nfs/dbraw/zinc/78/27/06/590782706.db2.gz KJDKBQMGGIMWRJ-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO COCCC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501172 590782709 /nfs/dbraw/zinc/78/27/09/590782709.db2.gz KJDKBQMGGIMWRJ-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CN(CCn1cc[nH+]c1)OCC(F)(F)F ZINC000879513783 590785172 /nfs/dbraw/zinc/78/51/72/590785172.db2.gz BBFXWIGRDCLESR-UHFFFAOYSA-N 1 2 223.198 1.309 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)OCC(F)(F)F ZINC000879519783 590787949 /nfs/dbraw/zinc/78/79/49/590787949.db2.gz ZQWOBDBQZKFYPC-UHFFFAOYSA-N 1 2 209.171 1.335 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)OCC(F)(F)F ZINC000879519783 590787952 /nfs/dbraw/zinc/78/79/52/590787952.db2.gz ZQWOBDBQZKFYPC-UHFFFAOYSA-N 1 2 209.171 1.335 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566738 590806299 /nfs/dbraw/zinc/80/62/99/590806299.db2.gz XIHYYCZFKTXKGK-BDAKNGLRSA-N 1 2 241.385 1.723 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566738 590806300 /nfs/dbraw/zinc/80/63/00/590806300.db2.gz XIHYYCZFKTXKGK-BDAKNGLRSA-N 1 2 241.385 1.723 20 0 BDADLO CCc1noc(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000879683531 590846916 /nfs/dbraw/zinc/84/69/16/590846916.db2.gz PCJVBZLGDDPQLF-QMMMGPOBSA-N 1 2 235.291 1.216 20 0 BDADLO CCc1noc(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC000879683530 590846989 /nfs/dbraw/zinc/84/69/89/590846989.db2.gz PCJVBZLGDDPQLF-MRVPVSSYSA-N 1 2 235.291 1.216 20 0 BDADLO CC(C)c1noc(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC000879684460 590847640 /nfs/dbraw/zinc/84/76/40/590847640.db2.gz XZIFCVIELNTZFG-SECBINFHSA-N 1 2 249.318 1.777 20 0 BDADLO C[N@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCOC1=O ZINC000879726701 590856797 /nfs/dbraw/zinc/85/67/97/590856797.db2.gz RMTAZZIIGGXMRL-ZDUSSCGKSA-N 1 2 244.294 1.915 20 0 BDADLO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCOC1=O ZINC000879726701 590856799 /nfs/dbraw/zinc/85/67/99/590856799.db2.gz RMTAZZIIGGXMRL-ZDUSSCGKSA-N 1 2 244.294 1.915 20 0 BDADLO C[S@](=N)(=O)N1CC[NH+](CC2=CCCC2)CC1 ZINC000879945753 590892035 /nfs/dbraw/zinc/89/20/35/590892035.db2.gz AUNBINTUDAXHNK-MRXNPFEDSA-N 1 2 243.376 1.306 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CC[C@@H](C)O ZINC000879980630 590902008 /nfs/dbraw/zinc/90/20/08/590902008.db2.gz JLPIWODYMKOXAR-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](O)C1CC1 ZINC000879981865 590902517 /nfs/dbraw/zinc/90/25/17/590902517.db2.gz VXTVNKLTLBPKJN-RYUDHWBXSA-N 1 2 241.331 1.079 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](O)CC ZINC000879982433 590903696 /nfs/dbraw/zinc/90/36/96/590903696.db2.gz HUUCBLPOEXUQKJ-WDEREUQCSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H]1CCCO1 ZINC000879984382 590904164 /nfs/dbraw/zinc/90/41/64/590904164.db2.gz ZVKOJNUMAVBAIK-VXGBXAGGSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000879999635 590907449 /nfs/dbraw/zinc/90/74/49/590907449.db2.gz GRFWEORWDFPIPR-VXNVDRBHSA-N 1 2 237.221 1.576 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000879999635 590907451 /nfs/dbraw/zinc/90/74/51/590907451.db2.gz GRFWEORWDFPIPR-VXNVDRBHSA-N 1 2 237.221 1.576 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000880027758 590912210 /nfs/dbraw/zinc/91/22/10/590912210.db2.gz XFIAOUHTPPWNOV-JQWIXIFHSA-N 1 2 233.315 1.473 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H](C)C1 ZINC000128148154 590912557 /nfs/dbraw/zinc/91/25/57/590912557.db2.gz JXTWKIBSSXBZEO-JGVFFNPUSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H](C)C1 ZINC000128148154 590912561 /nfs/dbraw/zinc/91/25/61/590912561.db2.gz JXTWKIBSSXBZEO-JGVFFNPUSA-N 1 2 222.292 1.668 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2nccnc2C)on1 ZINC000880109237 590927451 /nfs/dbraw/zinc/92/74/51/590927451.db2.gz UHWQMMAPLBTVAX-VIFPVBQESA-N 1 2 248.286 1.632 20 0 BDADLO Cc1conc1C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880166250 590949019 /nfs/dbraw/zinc/94/90/19/590949019.db2.gz BPCHDYORPGELBQ-UHFFFAOYSA-N 1 2 249.314 1.228 20 0 BDADLO Cc1conc1C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880166250 590949021 /nfs/dbraw/zinc/94/90/21/590949021.db2.gz BPCHDYORPGELBQ-UHFFFAOYSA-N 1 2 249.314 1.228 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)COC2CC2)c2[nH+]ccn21 ZINC000880226723 590961653 /nfs/dbraw/zinc/96/16/53/590961653.db2.gz BQCFVBJSNKRXGA-SCZZXKLOSA-N 1 2 235.287 1.184 20 0 BDADLO FC[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000880237986 590969374 /nfs/dbraw/zinc/96/93/74/590969374.db2.gz MABOUTPHXCPVBD-QMMMGPOBSA-N 1 2 215.297 1.720 20 0 BDADLO FC[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000880237986 590969377 /nfs/dbraw/zinc/96/93/77/590969377.db2.gz MABOUTPHXCPVBD-QMMMGPOBSA-N 1 2 215.297 1.720 20 0 BDADLO Cc1noc([C@H](C)[NH+]2CCC(F)CC2)n1 ZINC000880242729 590975219 /nfs/dbraw/zinc/97/52/19/590975219.db2.gz JIXJVLZVZNPOCH-ZETCQYMHSA-N 1 2 213.256 1.873 20 0 BDADLO CCCCn1nnnc1C[NH+]1CCC(F)CC1 ZINC000880243760 590976324 /nfs/dbraw/zinc/97/63/24/590976324.db2.gz UFZYKJHRTPLSKW-UHFFFAOYSA-N 1 2 241.314 1.407 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880292003 590986155 /nfs/dbraw/zinc/98/61/55/590986155.db2.gz LNRHMSAFMNNUKZ-MRVPVSSYSA-N 1 2 231.702 1.865 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@H](CF)C1 ZINC000880292003 590986157 /nfs/dbraw/zinc/98/61/57/590986157.db2.gz LNRHMSAFMNNUKZ-MRVPVSSYSA-N 1 2 231.702 1.865 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](CF)C2)n1 ZINC000880293969 590988679 /nfs/dbraw/zinc/98/86/79/590988679.db2.gz GKFAVKRYZAXNLT-RKDXNWHRSA-N 1 2 243.282 1.568 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@H](CF)C2)n1 ZINC000880293969 590988682 /nfs/dbraw/zinc/98/86/82/590988682.db2.gz GKFAVKRYZAXNLT-RKDXNWHRSA-N 1 2 243.282 1.568 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000880420363 591028823 /nfs/dbraw/zinc/02/88/23/591028823.db2.gz DSLZJKUUZJZNNR-NOZJJQNGSA-N 1 2 234.299 1.120 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000880420363 591028825 /nfs/dbraw/zinc/02/88/25/591028825.db2.gz DSLZJKUUZJZNNR-NOZJJQNGSA-N 1 2 234.299 1.120 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880434361 591037305 /nfs/dbraw/zinc/03/73/05/591037305.db2.gz BVTMDLIQYNIIOU-ZJUUUORDSA-N 1 2 237.290 1.767 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880434361 591037309 /nfs/dbraw/zinc/03/73/09/591037309.db2.gz BVTMDLIQYNIIOU-ZJUUUORDSA-N 1 2 237.290 1.767 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cc(F)ccc1F ZINC000880485040 591059347 /nfs/dbraw/zinc/05/93/47/591059347.db2.gz CWKARVJKONOZSI-NSHDSACASA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cc(F)ccc1F ZINC000880485040 591059353 /nfs/dbraw/zinc/05/93/53/591059353.db2.gz CWKARVJKONOZSI-NSHDSACASA-N 1 2 225.238 1.698 20 0 BDADLO Cc1ccc2nc(C[N@@H+]3CC=C[C@@H]3CO)cn2c1 ZINC000880486525 591061644 /nfs/dbraw/zinc/06/16/44/591061644.db2.gz SQTFREOHLHVBQF-CYBMUJFWSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1ccc2nc(C[N@H+]3CC=C[C@@H]3CO)cn2c1 ZINC000880486525 591061648 /nfs/dbraw/zinc/06/16/48/591061648.db2.gz SQTFREOHLHVBQF-CYBMUJFWSA-N 1 2 243.310 1.375 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000880486321 591062167 /nfs/dbraw/zinc/06/21/67/591062167.db2.gz AOETVXQLUVMIJB-SSDOTTSWSA-N 1 2 230.720 1.529 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cnc(Cl)s1 ZINC000880486321 591062171 /nfs/dbraw/zinc/06/21/71/591062171.db2.gz AOETVXQLUVMIJB-SSDOTTSWSA-N 1 2 230.720 1.529 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000880488310 591064669 /nfs/dbraw/zinc/06/46/69/591064669.db2.gz BZDBOFIZHLRZRE-NSHDSACASA-N 1 2 236.340 1.753 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000880488310 591064671 /nfs/dbraw/zinc/06/46/71/591064671.db2.gz BZDBOFIZHLRZRE-NSHDSACASA-N 1 2 236.340 1.753 20 0 BDADLO Cc1ccc(C[N@@H+]2CC=C[C@@H]2CO)nc1Cl ZINC000880493264 591071712 /nfs/dbraw/zinc/07/17/12/591071712.db2.gz AFVOAAOKIJRNTJ-LLVKDONJSA-N 1 2 238.718 1.776 20 0 BDADLO Cc1ccc(C[N@H+]2CC=C[C@@H]2CO)nc1Cl ZINC000880493264 591071716 /nfs/dbraw/zinc/07/17/16/591071716.db2.gz AFVOAAOKIJRNTJ-LLVKDONJSA-N 1 2 238.718 1.776 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000880494660 591073061 /nfs/dbraw/zinc/07/30/61/591073061.db2.gz QNEYNXWDQUTZAL-JTQLQIEISA-N 1 2 239.702 1.778 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000880494660 591073066 /nfs/dbraw/zinc/07/30/66/591073066.db2.gz QNEYNXWDQUTZAL-JTQLQIEISA-N 1 2 239.702 1.778 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880592142 591102804 /nfs/dbraw/zinc/10/28/04/591102804.db2.gz RGEQDDDPQOXHJM-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880592142 591102807 /nfs/dbraw/zinc/10/28/07/591102807.db2.gz RGEQDDDPQOXHJM-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO CCCCSCC(=O)NCCc1[nH]cc[nH+]1 ZINC000128722320 591156509 /nfs/dbraw/zinc/15/65/09/591156509.db2.gz YTMAFJIJYGNXHS-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(CC(C)(C)O)nn1 ZINC000881298769 591183214 /nfs/dbraw/zinc/18/32/14/591183214.db2.gz NYKGJIWWSNLZGZ-UHFFFAOYSA-N 1 2 246.314 1.343 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc([C@@H](O)C2CC2)nn1 ZINC000881312319 591186704 /nfs/dbraw/zinc/18/67/04/591186704.db2.gz JCENQSXRSVNJLE-ZDUSSCGKSA-N 1 2 244.298 1.473 20 0 BDADLO CC[C@@](C)(O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000881311671 591186980 /nfs/dbraw/zinc/18/69/80/591186980.db2.gz ANHXYPBIOIHOJG-CYBMUJFWSA-N 1 2 246.314 1.647 20 0 BDADLO Cc1cc(Cn2cc([C@@H](O)C3CC3)nn2)cc[nH+]1 ZINC000881323111 591190297 /nfs/dbraw/zinc/19/02/97/591190297.db2.gz APIKPYNROIZVDR-ZDUSSCGKSA-N 1 2 244.298 1.473 20 0 BDADLO COCC[N@H+](C)Cc1cn(C/C=C/Cl)nn1 ZINC000881427215 591203948 /nfs/dbraw/zinc/20/39/48/591203948.db2.gz FUADAVKDYDFHHZ-ONEGZZNKSA-N 1 2 244.726 1.109 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C/C=C/Cl)nn1 ZINC000881427215 591203951 /nfs/dbraw/zinc/20/39/51/591203951.db2.gz FUADAVKDYDFHHZ-ONEGZZNKSA-N 1 2 244.726 1.109 20 0 BDADLO C[C@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000881480919 591211914 /nfs/dbraw/zinc/21/19/14/591211914.db2.gz ACCLGSDRNAPSDY-UWVGGRQHSA-N 1 2 219.288 1.066 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000881495609 591218784 /nfs/dbraw/zinc/21/87/84/591218784.db2.gz LXDZOAYAOYUHGU-RYUDHWBXSA-N 1 2 245.326 1.528 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000881495606 591218925 /nfs/dbraw/zinc/21/89/25/591218925.db2.gz LXDZOAYAOYUHGU-NEPJUHHUSA-N 1 2 245.326 1.528 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000881499621 591222676 /nfs/dbraw/zinc/22/26/76/591222676.db2.gz VNXFAEWYENTLPU-VXGBXAGGSA-N 1 2 245.326 1.528 20 0 BDADLO C=C/C=C/CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000881567288 591241932 /nfs/dbraw/zinc/24/19/32/591241932.db2.gz HWEGFIPHLFSCNR-ONEGZZNKSA-N 1 2 219.288 1.591 20 0 BDADLO C=C/C=C/CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000881567288 591241933 /nfs/dbraw/zinc/24/19/33/591241933.db2.gz HWEGFIPHLFSCNR-ONEGZZNKSA-N 1 2 219.288 1.591 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCC(F)CC1 ZINC000881609548 591255849 /nfs/dbraw/zinc/25/58/49/591255849.db2.gz XQZCQMOEJVUYGI-UHFFFAOYSA-N 1 2 239.294 1.624 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(F)CC1 ZINC000881611599 591257000 /nfs/dbraw/zinc/25/70/00/591257000.db2.gz PDCBQPHQIDMCHN-UHFFFAOYSA-N 1 2 225.267 1.303 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CF)C1 ZINC000881676646 591265072 /nfs/dbraw/zinc/26/50/72/591265072.db2.gz IXXHNIZNGDAVAY-ZJUUUORDSA-N 1 2 239.294 1.406 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CF)C1 ZINC000881676646 591265073 /nfs/dbraw/zinc/26/50/73/591265073.db2.gz IXXHNIZNGDAVAY-ZJUUUORDSA-N 1 2 239.294 1.406 20 0 BDADLO CCCOc1ccnc(-n2cc[nH+]c2)n1 ZINC000881771121 591270502 /nfs/dbraw/zinc/27/05/02/591270502.db2.gz CEUJRQQMVYZIRY-UHFFFAOYSA-N 1 2 204.233 1.451 20 0 BDADLO CC(=O)NCCCNc1nc[nH+]c(C)c1C ZINC000881791761 591271578 /nfs/dbraw/zinc/27/15/78/591271578.db2.gz OBENVCITXZNETR-UHFFFAOYSA-N 1 2 222.292 1.032 20 0 BDADLO Cc1nnc(CNc2nc[nH+]c(C)c2C)o1 ZINC000881815893 591273370 /nfs/dbraw/zinc/27/33/70/591273370.db2.gz BGXUOVKGKBLNTE-UHFFFAOYSA-N 1 2 219.248 1.397 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CC(=O)N(C(C)C)C2)c1C ZINC000881902292 591277407 /nfs/dbraw/zinc/27/74/07/591277407.db2.gz ZONTUPNZQUOUIO-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO Cc1[nH+]cnc(N(C)CCn2cccn2)c1C ZINC000881967306 591284698 /nfs/dbraw/zinc/28/46/98/591284698.db2.gz VIBLUYWLRQBHFK-UHFFFAOYSA-N 1 2 231.303 1.426 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](C)CCO)c1C ZINC000882036320 591290276 /nfs/dbraw/zinc/29/02/76/591290276.db2.gz WOKZLJLFJSNYGS-QMMMGPOBSA-N 1 2 209.293 1.524 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@H]2CCOC2)c1C ZINC000882059907 591292981 /nfs/dbraw/zinc/29/29/81/591292981.db2.gz SETOXYVSEKVPQH-LLVKDONJSA-N 1 2 221.304 1.566 20 0 BDADLO Cc1[nH+]cnc(NC[C@@](C)(O)C(F)(F)F)c1C ZINC000882139864 591304536 /nfs/dbraw/zinc/30/45/36/591304536.db2.gz CCIQYCMDNGSOFW-SECBINFHSA-N 1 2 249.236 1.819 20 0 BDADLO O=Cc1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000882164815 591309648 /nfs/dbraw/zinc/30/96/48/591309648.db2.gz SZBADGMXGPNECX-JTQLQIEISA-N 1 2 243.270 1.354 20 0 BDADLO Cc1[nH+]cnc(NCc2nc(N(C)C)no2)c1C ZINC000882202728 591316193 /nfs/dbraw/zinc/31/61/93/591316193.db2.gz HPGIMCGTAVAWDP-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCN(C)C(=O)C2)c1C ZINC000882236189 591319577 /nfs/dbraw/zinc/31/95/77/591319577.db2.gz BSGFVFDPEIZSKT-JTQLQIEISA-N 1 2 234.303 1.126 20 0 BDADLO CNC(=O)[C@@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882297832 591327188 /nfs/dbraw/zinc/32/71/88/591327188.db2.gz HPUQKJKLIOJKPE-ZDUSSCGKSA-N 1 2 248.330 1.056 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](C)CCCO)c1C ZINC000882408175 591343670 /nfs/dbraw/zinc/34/36/70/591343670.db2.gz KNZDLQJIXGNOLX-SECBINFHSA-N 1 2 223.320 1.914 20 0 BDADLO O=Cc1cnc(N[C@@H]2CCn3cc[nH+]c32)nc1 ZINC000882407088 591343930 /nfs/dbraw/zinc/34/39/30/591343930.db2.gz CNOBIRCVXOIBMY-SECBINFHSA-N 1 2 229.243 1.043 20 0 BDADLO Fc1c[nH+]ccc1N1C[C@@H](F)[C@@H](F)C1 ZINC000882416318 591344943 /nfs/dbraw/zinc/34/49/43/591344943.db2.gz RTQCLEXFKACIDM-OCAPTIKFSA-N 1 2 202.179 1.717 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)C2CCC2)c1C ZINC000882433043 591347434 /nfs/dbraw/zinc/34/74/34/591347434.db2.gz VMPPYMKWPKZFMD-NSHDSACASA-N 1 2 221.304 1.666 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCNC(=O)CC2)c1C ZINC000882462865 591352881 /nfs/dbraw/zinc/35/28/81/591352881.db2.gz WPJRZPOHXTXUGE-SNVBAGLBSA-N 1 2 234.303 1.174 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(Cl)Cl ZINC000882490649 591369191 /nfs/dbraw/zinc/36/91/91/591369191.db2.gz SVBVDSKPKDMAIP-SSDOTTSWSA-N 1 2 239.146 1.391 20 0 BDADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(Cl)Cl ZINC000882490649 591369196 /nfs/dbraw/zinc/36/91/96/591369196.db2.gz SVBVDSKPKDMAIP-SSDOTTSWSA-N 1 2 239.146 1.391 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]3COC[C@@H]3C2)c1C ZINC000882631271 591405070 /nfs/dbraw/zinc/40/50/70/591405070.db2.gz IKENBJLYQCCXMU-NEPJUHHUSA-N 1 2 233.315 1.566 20 0 BDADLO CCn1nccc1CNc1nc[nH+]c(C)c1C ZINC000882643274 591405956 /nfs/dbraw/zinc/40/59/56/591405956.db2.gz MNGDXPXPCZTMMS-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](C)[C@H](CO)C2)c1C ZINC000882645903 591406186 /nfs/dbraw/zinc/40/61/86/591406186.db2.gz RRDAORVQLSVPEH-CABZTGNLSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@H]2C[C@@H](O)C2)c1C ZINC000882663536 591407907 /nfs/dbraw/zinc/40/79/07/591407907.db2.gz ZEPCSKZSIAPNMU-PHIMTYICSA-N 1 2 221.304 1.301 20 0 BDADLO CC1(C)C[C@@H](O)CN(c2cc(CO)cc[nH+]2)C1 ZINC000882703080 591413495 /nfs/dbraw/zinc/41/34/95/591413495.db2.gz RVRAAMPRKDNMCM-LLVKDONJSA-N 1 2 236.315 1.171 20 0 BDADLO CC1(C)CO[C@@H](CNc2cc(CO)cc[nH+]2)C1 ZINC000882715269 591419498 /nfs/dbraw/zinc/41/94/98/591419498.db2.gz UCPOCWBHHRVEJO-LLVKDONJSA-N 1 2 236.315 1.801 20 0 BDADLO Cc1cc(N2CCC[C@H](CF)C2)nc[nH+]1 ZINC000882801489 591444089 /nfs/dbraw/zinc/44/40/89/591444089.db2.gz RUYQNQULUNOKOB-SNVBAGLBSA-N 1 2 209.268 1.971 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](CF)C1 ZINC000882839885 591451597 /nfs/dbraw/zinc/45/15/97/591451597.db2.gz DWHSXFSWUQREJU-MRVPVSSYSA-N 1 2 235.266 1.159 20 0 BDADLO C[C@@H](O)c1ccc(N(C)C[C@H]2CCCO2)[nH+]c1 ZINC000213243241 591456776 /nfs/dbraw/zinc/45/67/76/591456776.db2.gz LVINPUGGZWKWNI-ZYHUDNBSSA-N 1 2 236.315 1.750 20 0 BDADLO CC(C)c1c[nH]c(C[NH2+]Cc2ccnn2C)n1 ZINC000882887725 591464585 /nfs/dbraw/zinc/46/45/85/591464585.db2.gz DBTUHVHIEDPIRC-UHFFFAOYSA-N 1 2 233.319 1.556 20 0 BDADLO NC(CO)=[NH+]OCC[C@H]1CC1(Cl)Cl ZINC000883012453 591512437 /nfs/dbraw/zinc/51/24/37/591512437.db2.gz GWSBALPRGKNOJF-YFKPBYRVSA-N 1 2 227.091 1.061 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@]23CCCO3)nc(N)[nH+]1 ZINC000882983010 591492121 /nfs/dbraw/zinc/49/21/21/591492121.db2.gz YIEKDAWKTGNQLR-SKDRFNHKSA-N 1 2 249.318 1.276 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@]23CCCO3)[nH+]1 ZINC000882983010 591492126 /nfs/dbraw/zinc/49/21/26/591492126.db2.gz YIEKDAWKTGNQLR-SKDRFNHKSA-N 1 2 249.318 1.276 20 0 BDADLO Cc1ncc(CO[NH+]=C(N)Cc2cccnc2)o1 ZINC000882985795 591492980 /nfs/dbraw/zinc/49/29/80/591492980.db2.gz PFYLSSILALAPBT-UHFFFAOYSA-N 1 2 246.270 1.619 20 0 BDADLO NC(CO)=[NH+]OCCCC1CCCC1 ZINC000883011106 591510638 /nfs/dbraw/zinc/51/06/38/591510638.db2.gz KCFAMUYDBSFSIK-UHFFFAOYSA-N 1 2 200.282 1.448 20 0 BDADLO CC(C)(C)c1nc(CO[NH+]=C(N)CO)cs1 ZINC000883011368 591510499 /nfs/dbraw/zinc/51/04/99/591510499.db2.gz SGCABYIXPWPBNC-UHFFFAOYSA-N 1 2 243.332 1.431 20 0 BDADLO C[C@@H]1CCCC[C@H]1CO[NH+]=C(N)CO ZINC000883013478 591514247 /nfs/dbraw/zinc/51/42/47/591514247.db2.gz PHXZDNRMMIZYIF-BDAKNGLRSA-N 1 2 200.282 1.303 20 0 BDADLO CC(C)c1c[nH]c(CN[C@@H](C)c2ncn(C)n2)[nH+]1 ZINC000883098140 591539820 /nfs/dbraw/zinc/53/98/20/591539820.db2.gz DDMREDTXVXKBGE-VIFPVBQESA-N 1 2 248.334 1.512 20 0 BDADLO C=C/C=C\CCNC(=O)NCc1[nH+]ccn1CC ZINC000883674998 591716129 /nfs/dbraw/zinc/71/61/29/591716129.db2.gz YOOWPTVBPZWTOA-WAYWQWQTSA-N 1 2 248.330 1.835 20 0 BDADLO CCn1cc(C[N@@H+]2CCSC[C@@H]2C)nn1 ZINC000884003299 591793283 /nfs/dbraw/zinc/79/32/83/591793283.db2.gz KEXRIFHODMWDLZ-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO CCn1cc(C[N@H+]2CCSC[C@@H]2C)nn1 ZINC000884003299 591793286 /nfs/dbraw/zinc/79/32/86/591793286.db2.gz KEXRIFHODMWDLZ-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO CC(C)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800084745 591819022 /nfs/dbraw/zinc/81/90/22/591819022.db2.gz OUXFDBZBYNRLQG-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800084745 591819023 /nfs/dbraw/zinc/81/90/23/591819023.db2.gz OUXFDBZBYNRLQG-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)c2ccoc2)CCO1 ZINC000800123695 591826325 /nfs/dbraw/zinc/82/63/25/591826325.db2.gz ZOGVUACWKYSHBA-JTQLQIEISA-N 1 2 239.271 1.157 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)c2ccoc2)CCO1 ZINC000800123695 591826327 /nfs/dbraw/zinc/82/63/27/591826327.db2.gz ZOGVUACWKYSHBA-JTQLQIEISA-N 1 2 239.271 1.157 20 0 BDADLO CC(C)[C@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800167240 591830654 /nfs/dbraw/zinc/83/06/54/591830654.db2.gz DSGVMKOWODAVAF-RYUDHWBXSA-N 1 2 243.347 1.542 20 0 BDADLO CC(C)[C@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800167240 591830655 /nfs/dbraw/zinc/83/06/55/591830655.db2.gz DSGVMKOWODAVAF-RYUDHWBXSA-N 1 2 243.347 1.542 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)CC2CCC2)CCO1 ZINC000800174798 591831147 /nfs/dbraw/zinc/83/11/47/591831147.db2.gz DZVOXHJVAHBKOR-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)CC2CCC2)CCO1 ZINC000800174798 591831148 /nfs/dbraw/zinc/83/11/48/591831148.db2.gz DZVOXHJVAHBKOR-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO Clc1ccc(C[NH2+]Cc2ncc[nH]2)nc1 ZINC000133604174 591841843 /nfs/dbraw/zinc/84/18/43/591841843.db2.gz URUPXBVCWCRIDW-UHFFFAOYSA-N 1 2 222.679 1.748 20 0 BDADLO Clc1ccc(CNCc2[nH]cc[nH+]2)nc1 ZINC000133604174 591841846 /nfs/dbraw/zinc/84/18/46/591841846.db2.gz URUPXBVCWCRIDW-UHFFFAOYSA-N 1 2 222.679 1.748 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccc(Cl)cn2)n1 ZINC000133601033 591842126 /nfs/dbraw/zinc/84/21/26/591842126.db2.gz OLRYXCHVRFXAAS-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO CCc1nc(NCc2cccnn2)cc[nH+]1 ZINC000884487997 591954922 /nfs/dbraw/zinc/95/49/22/591954922.db2.gz LHQRTTAKVHEJRY-UHFFFAOYSA-N 1 2 215.260 1.441 20 0 BDADLO CCc1nc(N2C[C@@H]3C[C@H]2CS3)cc[nH+]1 ZINC000884528441 591967630 /nfs/dbraw/zinc/96/76/30/591967630.db2.gz ONYFBYVXDPBZEM-IUCAKERBSA-N 1 2 221.329 1.733 20 0 BDADLO CCc1nc(N2C[C@@H](O)CC[C@H]2C)cc[nH+]1 ZINC000884533332 591969922 /nfs/dbraw/zinc/96/99/22/591969922.db2.gz FLCROKAYFRCGJP-ZJUUUORDSA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(N2CC[C@H]3COC[C@H]3C2)cc[nH+]1 ZINC000884558686 591978155 /nfs/dbraw/zinc/97/81/55/591978155.db2.gz BGIOQZNCVTXUEA-WDEREUQCSA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N(C)[C@H]2C[C@@H](C(=O)OC)C2)cc[nH+]1 ZINC000884560301 591980553 /nfs/dbraw/zinc/98/05/53/591980553.db2.gz TUWBGWISTDQQLE-AOOOYVTPSA-N 1 2 249.314 1.427 20 0 BDADLO CCc1nc(NC[C@H]2C[C@@H](OC)C2)cc[nH+]1 ZINC000884567964 591983410 /nfs/dbraw/zinc/98/34/10/591983410.db2.gz XRWGZGQDLZLUCT-AOOOYVTPSA-N 1 2 221.304 1.876 20 0 BDADLO CCc1nc(NCC[C@H](O)C(F)F)cc[nH+]1 ZINC000884570593 591984299 /nfs/dbraw/zinc/98/42/99/591984299.db2.gz SZSFARGYERDQOD-ZETCQYMHSA-N 1 2 231.246 1.467 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCNc1ncc(C)o1 ZINC000884579727 591985779 /nfs/dbraw/zinc/98/57/79/591985779.db2.gz HPJRLMOQDIVSPY-LLVKDONJSA-N 1 2 239.319 1.506 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCNc1ncc(C)o1 ZINC000884579727 591985781 /nfs/dbraw/zinc/98/57/81/591985781.db2.gz HPJRLMOQDIVSPY-LLVKDONJSA-N 1 2 239.319 1.506 20 0 BDADLO CCc1nc(N2CC[C@H](C(C)(C)O)C2)cc[nH+]1 ZINC000884580782 591987035 /nfs/dbraw/zinc/98/70/35/591987035.db2.gz LZTPIDQBGQULQF-JTQLQIEISA-N 1 2 235.331 1.636 20 0 BDADLO Cc1cc(N[C@@H](CO)C[C@H]2CCCO2)nc[nH+]1 ZINC000884615560 591994756 /nfs/dbraw/zinc/99/47/56/591994756.db2.gz KEQDMRNMPSPOMS-GHMZBOCLSA-N 1 2 237.303 1.127 20 0 BDADLO OC[C@@H](C[C@H]1CCCO1)Nc1cccc[nH+]1 ZINC000884617323 591995350 /nfs/dbraw/zinc/99/53/50/591995350.db2.gz KZUFAADOJTUGJK-GHMZBOCLSA-N 1 2 222.288 1.424 20 0 BDADLO C[C@@H]1C(=O)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885063870 592043499 /nfs/dbraw/zinc/04/34/99/592043499.db2.gz SLFDROOSCDHVGQ-OPRDCNLKSA-N 1 2 247.298 1.093 20 0 BDADLO C[C@@H]1C(=O)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885063870 592043502 /nfs/dbraw/zinc/04/35/02/592043502.db2.gz SLFDROOSCDHVGQ-OPRDCNLKSA-N 1 2 247.298 1.093 20 0 BDADLO C[N@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000885985268 592122151 /nfs/dbraw/zinc/12/21/51/592122151.db2.gz CTCRYFDCMMCQBP-PSASIEDQSA-N 1 2 205.248 1.610 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000885985268 592122154 /nfs/dbraw/zinc/12/21/54/592122154.db2.gz CTCRYFDCMMCQBP-PSASIEDQSA-N 1 2 205.248 1.610 20 0 BDADLO O=C(NC[C@]12C[C@H]1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885989695 592122788 /nfs/dbraw/zinc/12/27/88/592122788.db2.gz LNHIMNBYYGSYRE-BIAAXOCRSA-N 1 2 245.326 1.820 20 0 BDADLO O=C(NC[C@]12C[C@H]1CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885989695 592122790 /nfs/dbraw/zinc/12/27/90/592122790.db2.gz LNHIMNBYYGSYRE-BIAAXOCRSA-N 1 2 245.326 1.820 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886091871 592146136 /nfs/dbraw/zinc/14/61/36/592146136.db2.gz IMLDKWIJRFMWJF-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886091871 592146138 /nfs/dbraw/zinc/14/61/38/592146138.db2.gz IMLDKWIJRFMWJF-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)Cc1ccccc1F ZINC000886234704 592182376 /nfs/dbraw/zinc/18/23/76/592182376.db2.gz UJAZBWALXBNVMQ-GFCCVEGCSA-N 1 2 249.289 1.242 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1)c1ncco1 ZINC000886276117 592195701 /nfs/dbraw/zinc/19/57/01/592195701.db2.gz XKSJHNYPVUSLQT-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)CC1(F)F ZINC000886277571 592196616 /nfs/dbraw/zinc/19/66/16/592196616.db2.gz VPDSAUYZBIPXFD-HBNTYKKESA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC1(F)F ZINC000886277571 592196618 /nfs/dbraw/zinc/19/66/18/592196618.db2.gz VPDSAUYZBIPXFD-HBNTYKKESA-N 1 2 247.285 1.115 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CC3(CCC3)CO2)[nH]n1 ZINC000886288765 592201023 /nfs/dbraw/zinc/20/10/23/592201023.db2.gz GYZGOERHHKVMLB-LLVKDONJSA-N 1 2 221.304 1.459 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000886464837 592229132 /nfs/dbraw/zinc/22/91/32/592229132.db2.gz JMUSWDNYOWTWIX-UHFFFAOYSA-N 1 2 247.302 1.289 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCCn3nncc3C2)o1 ZINC000886464837 592229134 /nfs/dbraw/zinc/22/91/34/592229134.db2.gz JMUSWDNYOWTWIX-UHFFFAOYSA-N 1 2 247.302 1.289 20 0 BDADLO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000886527817 592245961 /nfs/dbraw/zinc/24/59/61/592245961.db2.gz AGZYNWYGJDZFDV-DTWKUNHWSA-N 1 2 225.292 1.238 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncco1)C(=O)NC(C)(C)C ZINC000886528437 592247492 /nfs/dbraw/zinc/24/74/92/592247492.db2.gz MBYDCSUZQFCRHH-BDAKNGLRSA-N 1 2 239.319 1.628 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753134 592317192 /nfs/dbraw/zinc/31/71/92/592317192.db2.gz BYZCLTVCDKYWNC-JGVFFNPUSA-N 1 2 244.364 1.181 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753134 592317187 /nfs/dbraw/zinc/31/71/87/592317187.db2.gz BYZCLTVCDKYWNC-JGVFFNPUSA-N 1 2 244.364 1.181 20 0 BDADLO OCC[C@H](N[C@@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000886803440 592333191 /nfs/dbraw/zinc/33/31/91/592333191.db2.gz JINNPMCHIVMKMT-SFYZADRCSA-N 1 2 249.236 1.231 20 0 BDADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C(C)C ZINC000886959270 592401023 /nfs/dbraw/zinc/40/10/23/592401023.db2.gz NBDWMAARIYZANU-MNOVXSKESA-N 1 2 229.320 1.485 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000887033029 592426146 /nfs/dbraw/zinc/42/61/46/592426146.db2.gz KKPKFUOQJJHUBN-MISXGVKJSA-N 1 2 245.326 1.504 20 0 BDADLO CCOCCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887074578 592435990 /nfs/dbraw/zinc/43/59/90/592435990.db2.gz ZUKYDVMBQPKFMO-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCOCCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887074578 592435993 /nfs/dbraw/zinc/43/59/93/592435993.db2.gz ZUKYDVMBQPKFMO-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO COCCCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887074246 592436615 /nfs/dbraw/zinc/43/66/15/592436615.db2.gz RFQIRBQBEHAPIS-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO COCCCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887074246 592436618 /nfs/dbraw/zinc/43/66/18/592436618.db2.gz RFQIRBQBEHAPIS-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CNC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887099209 592442081 /nfs/dbraw/zinc/44/20/81/592442081.db2.gz VPDIQISIBHUCAS-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CNC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887099209 592442083 /nfs/dbraw/zinc/44/20/83/592442083.db2.gz VPDIQISIBHUCAS-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO FC(F)C[N@H+](CCn1cncn1)C1CCC1 ZINC000887098983 592441608 /nfs/dbraw/zinc/44/16/08/592441608.db2.gz LHQSMKPPIMAXPP-UHFFFAOYSA-N 1 2 230.262 1.398 20 0 BDADLO FC(F)C[N@@H+](CCn1cncn1)C1CCC1 ZINC000887098983 592441610 /nfs/dbraw/zinc/44/16/10/592441610.db2.gz LHQSMKPPIMAXPP-UHFFFAOYSA-N 1 2 230.262 1.398 20 0 BDADLO O=C1CC[C@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102136 592442605 /nfs/dbraw/zinc/44/26/05/592442605.db2.gz DMULGHMTYHTROQ-SECBINFHSA-N 1 2 233.258 1.812 20 0 BDADLO O=C1CC[C@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102136 592442607 /nfs/dbraw/zinc/44/26/07/592442607.db2.gz DMULGHMTYHTROQ-SECBINFHSA-N 1 2 233.258 1.812 20 0 BDADLO COC[C@@H](C[N@H+](CC(F)F)C1CCC1)OC ZINC000887102356 592443256 /nfs/dbraw/zinc/44/32/56/592443256.db2.gz NBPKLNFCPRHXKJ-SNVBAGLBSA-N 1 2 237.290 1.767 20 0 BDADLO COC[C@@H](C[N@@H+](CC(F)F)C1CCC1)OC ZINC000887102356 592443259 /nfs/dbraw/zinc/44/32/59/592443259.db2.gz NBPKLNFCPRHXKJ-SNVBAGLBSA-N 1 2 237.290 1.767 20 0 BDADLO C[C@H](O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887102543 592443264 /nfs/dbraw/zinc/44/32/64/592443264.db2.gz SZPSTEJLPKFVDB-QMMMGPOBSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102543 592443266 /nfs/dbraw/zinc/44/32/66/592443266.db2.gz SZPSTEJLPKFVDB-QMMMGPOBSA-N 1 2 207.264 1.877 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)CCCF)n1 ZINC000887142479 592459873 /nfs/dbraw/zinc/45/98/73/592459873.db2.gz LLZBEFWHFKSHAP-UHFFFAOYSA-N 1 2 214.288 1.398 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)CCCF)n1 ZINC000887142479 592459877 /nfs/dbraw/zinc/45/98/77/592459877.db2.gz LLZBEFWHFKSHAP-UHFFFAOYSA-N 1 2 214.288 1.398 20 0 BDADLO Cc1oc(NC(=O)Cn2cc[nH+]c2)nc1C1CC1 ZINC000887239891 592469913 /nfs/dbraw/zinc/46/99/13/592469913.db2.gz JBPPGGIOZGXEAT-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO Cc1oc(NC(=O)[C@H]2CCC[N@H+]2C)nc1C1CC1 ZINC000887239836 592470288 /nfs/dbraw/zinc/47/02/88/592470288.db2.gz GUULHUKNXSRBKQ-SNVBAGLBSA-N 1 2 249.314 1.893 20 0 BDADLO Cc1oc(NC(=O)[C@H]2CCC[N@@H+]2C)nc1C1CC1 ZINC000887239836 592470291 /nfs/dbraw/zinc/47/02/91/592470291.db2.gz GUULHUKNXSRBKQ-SNVBAGLBSA-N 1 2 249.314 1.893 20 0 BDADLO CC(=O)[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000887251366 592472164 /nfs/dbraw/zinc/47/21/64/592472164.db2.gz NCJCTFORJQYWAF-XYPYZODXSA-N 1 2 249.314 1.216 20 0 BDADLO CC(=O)[C@H]1CC[C@H](NC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000887259681 592472170 /nfs/dbraw/zinc/47/21/70/592472170.db2.gz SWSRJNDCXYTSSA-XYPYZODXSA-N 1 2 249.314 1.596 20 0 BDADLO Clc1cnc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000223036205 592515218 /nfs/dbraw/zinc/51/52/18/592515218.db2.gz IZXQGYZRFIJLDQ-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO Cc1cc(NC(=O)N(C)CCCF)c(C)c[nH+]1 ZINC000887935937 592560452 /nfs/dbraw/zinc/56/04/52/592560452.db2.gz OQJKCUXXAPBRDB-UHFFFAOYSA-N 1 2 239.294 1.944 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[C@@H]3C2)c2[nH+]ccn21 ZINC000889185123 592587228 /nfs/dbraw/zinc/58/72/28/592587228.db2.gz KXGITICVPOUZTF-CHWFTXMASA-N 1 2 246.314 1.550 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889613300 592629862 /nfs/dbraw/zinc/62/98/62/592629862.db2.gz YKQSWOYLLPGCAD-LYIQGSDWSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889613300 592629863 /nfs/dbraw/zinc/62/98/63/592629863.db2.gz YKQSWOYLLPGCAD-LYIQGSDWSA-N 1 2 247.342 1.893 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889615910 592630655 /nfs/dbraw/zinc/63/06/55/592630655.db2.gz DIVHGHZXEKSTPU-JMJZKYOTSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889615910 592630659 /nfs/dbraw/zinc/63/06/59/592630659.db2.gz DIVHGHZXEKSTPU-JMJZKYOTSA-N 1 2 219.288 1.257 20 0 BDADLO CCc1cc(C(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000889792772 592654309 /nfs/dbraw/zinc/65/43/09/592654309.db2.gz MNGDSJBKMMDXFX-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO Cc1cnccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104557 592681871 /nfs/dbraw/zinc/68/18/71/592681871.db2.gz MCPSYWFDBPHPHR-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO C=C/C(C)=C\CC(=O)NCc1cn(C)c[nH+]1 ZINC000890107361 592683531 /nfs/dbraw/zinc/68/35/31/592683531.db2.gz LLGQJFCEYCHZPZ-YHYXMXQVSA-N 1 2 219.288 1.559 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890111019 592683961 /nfs/dbraw/zinc/68/39/61/592683961.db2.gz ZQHPBHJRACHFFB-MRVPVSSYSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)c1cccs1 ZINC000890113830 592684340 /nfs/dbraw/zinc/68/43/40/592684340.db2.gz QOFHYANDEIPUGW-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO CC(C)n1ccc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890113698 592684480 /nfs/dbraw/zinc/68/44/80/592684480.db2.gz LYRGBJKYLDQKGP-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO CC(C)c1cc(C(=O)NCc2cn(C)c[nH+]2)[nH]n1 ZINC000890117630 592685210 /nfs/dbraw/zinc/68/52/10/592685210.db2.gz VMDOVTMOOKAALD-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000890117694 592686098 /nfs/dbraw/zinc/68/60/98/592686098.db2.gz RCWRKQJWOIKUPY-SSDOTTSWSA-N 1 2 248.113 1.230 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229934389 597248443 /nfs/dbraw/zinc/24/84/43/597248443.db2.gz HTXNFVYKEQPXOT-VHSXEESVSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229934389 597248445 /nfs/dbraw/zinc/24/84/45/597248445.db2.gz HTXNFVYKEQPXOT-VHSXEESVSA-N 1 2 226.320 1.066 20 0 BDADLO O=C([O-])[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000050510749 598199224 /nfs/dbraw/zinc/19/92/24/598199224.db2.gz JPRDQFJZRSTHQT-LBPRGKRZSA-N 1 2 245.282 1.299 20 0 BDADLO COC(=O)[C@]1([NH2+][C@H](C)CCC(C)C)CCOC1 ZINC001256361137 970763599 /nfs/dbraw/zinc/76/35/99/970763599.db2.gz NXADAEBBEGZKQA-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO O=C([O-])CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738587442 600095359 /nfs/dbraw/zinc/09/53/59/600095359.db2.gz NKNPYLHRXBUCNZ-LLVKDONJSA-N 1 2 249.314 1.290 20 0 BDADLO O=C([O-])CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738587442 600095362 /nfs/dbraw/zinc/09/53/62/600095362.db2.gz NKNPYLHRXBUCNZ-LLVKDONJSA-N 1 2 249.314 1.290 20 0 BDADLO FC(F)[C@H]1CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000931423598 634414247 /nfs/dbraw/zinc/41/42/47/634414247.db2.gz FQZMVNBVMGMUGV-OUAUKWLOSA-N 1 2 246.301 1.189 20 0 BDADLO FC(F)[C@H]1CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000931423598 634414258 /nfs/dbraw/zinc/41/42/58/634414258.db2.gz FQZMVNBVMGMUGV-OUAUKWLOSA-N 1 2 246.301 1.189 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)o1 ZINC000931935478 635473409 /nfs/dbraw/zinc/47/34/09/635473409.db2.gz FNQTVHQGKGNHIF-SNVBAGLBSA-N 1 2 248.286 1.664 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)o1 ZINC000931935478 635473413 /nfs/dbraw/zinc/47/34/13/635473413.db2.gz FNQTVHQGKGNHIF-SNVBAGLBSA-N 1 2 248.286 1.664 20 0 BDADLO CC(C)C[C@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000090814859 631233890 /nfs/dbraw/zinc/23/38/90/631233890.db2.gz HGOCLPFVKTXLRB-GHMZBOCLSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@@H](NCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000090814863 631234642 /nfs/dbraw/zinc/23/46/42/631234642.db2.gz MWCPBDBIBCEPOK-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccc2F)CCO1 ZINC000075609044 631270739 /nfs/dbraw/zinc/27/07/39/631270739.db2.gz ZUIBHESXTSAYRL-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2F)CCO1 ZINC000075609044 631270744 /nfs/dbraw/zinc/27/07/44/631270744.db2.gz ZUIBHESXTSAYRL-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cccc(=O)[nH]2)[nH+]c1C ZINC000933401133 631365077 /nfs/dbraw/zinc/36/50/77/631365077.db2.gz HOWSMGGLYTUZPQ-UHFFFAOYSA-N 1 2 246.314 1.759 20 0 BDADLO CC(C)=CC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933528433 631392982 /nfs/dbraw/zinc/39/29/82/631392982.db2.gz MWIYDWSWFFBYHT-ZDUSSCGKSA-N 1 2 235.331 1.760 20 0 BDADLO CC(C)=CC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933528433 631392989 /nfs/dbraw/zinc/39/29/89/631392989.db2.gz MWIYDWSWFFBYHT-ZDUSSCGKSA-N 1 2 235.331 1.760 20 0 BDADLO CSCC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933528473 631394506 /nfs/dbraw/zinc/39/45/06/631394506.db2.gz NLJVUWYKPQRGQM-NSHDSACASA-N 1 2 241.360 1.156 20 0 BDADLO CSCC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933528473 631394508 /nfs/dbraw/zinc/39/45/08/631394508.db2.gz NLJVUWYKPQRGQM-NSHDSACASA-N 1 2 241.360 1.156 20 0 BDADLO O=C(NC[C@@H]1CCCO1)c1cccc2[nH+]ccn21 ZINC000082302914 631403347 /nfs/dbraw/zinc/40/33/47/631403347.db2.gz KCEDNDRNDVUMDD-JTQLQIEISA-N 1 2 245.282 1.243 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2Cc3ccccc32)n1 ZINC000090986754 631485668 /nfs/dbraw/zinc/48/56/68/631485668.db2.gz XORFXBNIRGMXNW-LLVKDONJSA-N 1 2 229.283 1.867 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](OC)C2(C)C)nc[nH+]1 ZINC000234526364 631568336 /nfs/dbraw/zinc/56/83/36/631568336.db2.gz WOHFXSVCNIIIJM-BDAKNGLRSA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](OC)C2(C)C)[nH+]cn1 ZINC000234526364 631568340 /nfs/dbraw/zinc/56/83/40/631568340.db2.gz WOHFXSVCNIIIJM-BDAKNGLRSA-N 1 2 236.319 1.744 20 0 BDADLO C[C@H](O)c1cccc(NCc2c[nH+]cn2C)n1 ZINC000893899858 635635985 /nfs/dbraw/zinc/63/59/85/635635985.db2.gz JYCSYVMMXBCQEE-VIFPVBQESA-N 1 2 232.287 1.481 20 0 BDADLO COc1cc(Cl)ccc1C[N@@H+]1CC[C@H]1CO ZINC000934014019 631594178 /nfs/dbraw/zinc/59/41/78/631594178.db2.gz JLQJWFFPOIRYJU-NSHDSACASA-N 1 2 241.718 1.915 20 0 BDADLO COc1cc(Cl)ccc1C[N@H+]1CC[C@H]1CO ZINC000934014019 631594184 /nfs/dbraw/zinc/59/41/84/631594184.db2.gz JLQJWFFPOIRYJU-NSHDSACASA-N 1 2 241.718 1.915 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000934015677 631609626 /nfs/dbraw/zinc/60/96/26/631609626.db2.gz QBHFBRMNOBSIRA-VIFPVBQESA-N 1 2 217.272 1.130 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000934015677 631609631 /nfs/dbraw/zinc/60/96/31/631609631.db2.gz QBHFBRMNOBSIRA-VIFPVBQESA-N 1 2 217.272 1.130 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nccc(C)n1 ZINC000934113501 631687111 /nfs/dbraw/zinc/68/71/11/631687111.db2.gz BCUSDOXTSFRXQF-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nccc(C)n1 ZINC000934113501 631687120 /nfs/dbraw/zinc/68/71/20/631687120.db2.gz BCUSDOXTSFRXQF-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO NC(=O)C1([NH2+]Cc2cscn2)CCCC1 ZINC000308943430 631743823 /nfs/dbraw/zinc/74/38/23/631743823.db2.gz REIHNZAFNGOGIC-UHFFFAOYSA-N 1 2 225.317 1.031 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+][C@H]1CCOC1)CCC2 ZINC000308996227 631783084 /nfs/dbraw/zinc/78/30/84/631783084.db2.gz MROGHAXSQPWMCH-WCBMZHEXSA-N 1 2 207.277 1.166 20 0 BDADLO CC(C)(C)[C@@H](CO)[NH2+]CC(F)(F)C(F)F ZINC000309022729 631799839 /nfs/dbraw/zinc/79/98/39/631799839.db2.gz YEUJBVVQKXEIBJ-ZCFIWIBFSA-N 1 2 231.233 1.883 20 0 BDADLO Cc1nc(N[C@@H]2CCC2(C)C)nc(N)[nH+]1 ZINC000308822509 631836799 /nfs/dbraw/zinc/83/67/99/631836799.db2.gz GXTBNJXYYDBFPO-SSDOTTSWSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC2(C)C)[nH+]1 ZINC000308822509 631836801 /nfs/dbraw/zinc/83/68/01/631836801.db2.gz GXTBNJXYYDBFPO-SSDOTTSWSA-N 1 2 207.281 1.363 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccncc1 ZINC000224293590 631895560 /nfs/dbraw/zinc/89/55/60/631895560.db2.gz ILJZLKJAIMHBFU-UHFFFAOYSA-N 1 2 217.228 1.135 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934568500 631937631 /nfs/dbraw/zinc/93/76/31/631937631.db2.gz VGZRCRJNSDQPKZ-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ncccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934568500 631937633 /nfs/dbraw/zinc/93/76/33/631937633.db2.gz VGZRCRJNSDQPKZ-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)c1ncc[nH]1)C(F)(F)F ZINC000309414893 632048999 /nfs/dbraw/zinc/04/89/99/632048999.db2.gz CKAMVLIVMWLHAM-NKWVEPMBSA-N 1 2 237.225 1.638 20 0 BDADLO O=c1oc2ccccc2n1C[N@@H+]1CCCOCC1 ZINC000052084727 632066801 /nfs/dbraw/zinc/06/68/01/632066801.db2.gz NNKQLFHIIOSRHU-UHFFFAOYSA-N 1 2 248.282 1.274 20 0 BDADLO O=c1oc2ccccc2n1C[N@H+]1CCCOCC1 ZINC000052084727 632066807 /nfs/dbraw/zinc/06/68/07/632066807.db2.gz NNKQLFHIIOSRHU-UHFFFAOYSA-N 1 2 248.282 1.274 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](CC)CO ZINC000308970632 632601256 /nfs/dbraw/zinc/60/12/56/632601256.db2.gz ZEPCBLXDDPKRIU-VHSXEESVSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccc(F)nc2)s1 ZINC000309718192 632656183 /nfs/dbraw/zinc/65/61/83/632656183.db2.gz UWHXECXYOPVXBF-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CC1(COC)CCC1 ZINC000309737949 632664087 /nfs/dbraw/zinc/66/40/87/632664087.db2.gz GWSSTSSHNALEMC-SNVBAGLBSA-N 1 2 229.320 1.344 20 0 BDADLO Cn1cnn(C[N@H+](C)CC2CCCCC2)c1=O ZINC000179459914 632718230 /nfs/dbraw/zinc/71/82/30/632718230.db2.gz OVAGFBXTWUESSB-UHFFFAOYSA-N 1 2 238.335 1.051 20 0 BDADLO Cn1cnn(C[N@@H+](C)CC2CCCCC2)c1=O ZINC000179459914 632718236 /nfs/dbraw/zinc/71/82/36/632718236.db2.gz OVAGFBXTWUESSB-UHFFFAOYSA-N 1 2 238.335 1.051 20 0 BDADLO CCC(CC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179518259 632740328 /nfs/dbraw/zinc/74/03/28/632740328.db2.gz RADZJNXJQXNFJF-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CSCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000309244173 632836980 /nfs/dbraw/zinc/83/69/80/632836980.db2.gz BPQZFFJRJLZGJU-UHFFFAOYSA-N 1 2 240.328 1.503 20 0 BDADLO C[C@H]1CN(C(=O)c2cccs2)CC[N@@H+]1C ZINC000074755160 632840790 /nfs/dbraw/zinc/84/07/90/632840790.db2.gz CMULWPKBGQUVPO-VIFPVBQESA-N 1 2 224.329 1.524 20 0 BDADLO C[C@H]1CN(C(=O)c2cccs2)CC[N@H+]1C ZINC000074755160 632840792 /nfs/dbraw/zinc/84/07/92/632840792.db2.gz CMULWPKBGQUVPO-VIFPVBQESA-N 1 2 224.329 1.524 20 0 BDADLO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCNC1=O ZINC000178207914 633002782 /nfs/dbraw/zinc/00/27/82/633002782.db2.gz QYNPMXAOZPLJMR-SECBINFHSA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCNC1=O ZINC000178207914 633002785 /nfs/dbraw/zinc/00/27/85/633002785.db2.gz QYNPMXAOZPLJMR-SECBINFHSA-N 1 2 239.706 1.055 20 0 BDADLO C[C@@H]1OC[C@H]([N@@H+]2CCO[C@H](C(F)F)C2)[C@@H]1C ZINC000926820975 633159272 /nfs/dbraw/zinc/15/92/72/633159272.db2.gz FPWFQBLGIASAIE-KATARQTJSA-N 1 2 235.274 1.376 20 0 BDADLO C[C@@H]1OC[C@H]([N@H+]2CCO[C@H](C(F)F)C2)[C@@H]1C ZINC000926820975 633159274 /nfs/dbraw/zinc/15/92/74/633159274.db2.gz FPWFQBLGIASAIE-KATARQTJSA-N 1 2 235.274 1.376 20 0 BDADLO COCC1([NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000309620765 633212279 /nfs/dbraw/zinc/21/22/79/633212279.db2.gz FDRSDHKVMIAHPW-SNVBAGLBSA-N 1 2 221.304 1.556 20 0 BDADLO CNc1cc(N[C@H](C)C[C@@H]2CCOC2)[nH+]cn1 ZINC000892911405 633242824 /nfs/dbraw/zinc/24/28/24/633242824.db2.gz PPDVFTOYKDFHRM-ZJUUUORDSA-N 1 2 236.319 1.745 20 0 BDADLO CNc1cc(N[C@H](C)C[C@H]2CCOC2)[nH+]cn1 ZINC000892911402 633242844 /nfs/dbraw/zinc/24/28/44/633242844.db2.gz PPDVFTOYKDFHRM-NXEZZACHSA-N 1 2 236.319 1.745 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000880420366 635953845 /nfs/dbraw/zinc/95/38/45/635953845.db2.gz DSLZJKUUZJZNNR-ZANVPECISA-N 1 2 234.299 1.120 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000880420366 635953851 /nfs/dbraw/zinc/95/38/51/635953851.db2.gz DSLZJKUUZJZNNR-ZANVPECISA-N 1 2 234.299 1.120 20 0 BDADLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029193356 636012942 /nfs/dbraw/zinc/01/29/42/636012942.db2.gz NANQXZTUKONBCS-TXEJJXNPSA-N 1 2 242.338 1.677 20 0 BDADLO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029193356 636012944 /nfs/dbraw/zinc/01/29/44/636012944.db2.gz NANQXZTUKONBCS-TXEJJXNPSA-N 1 2 242.338 1.677 20 0 BDADLO C[C@H]1CC[N@H+](Cn2cc(Br)cn2)C1 ZINC000307710341 635993404 /nfs/dbraw/zinc/99/34/04/635993404.db2.gz PIZZSPUUQZDPDH-QMMMGPOBSA-N 1 2 244.136 1.945 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2cc(Br)cn2)C1 ZINC000307710341 635993407 /nfs/dbraw/zinc/99/34/07/635993407.db2.gz PIZZSPUUQZDPDH-QMMMGPOBSA-N 1 2 244.136 1.945 20 0 BDADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029176084 636000127 /nfs/dbraw/zinc/00/01/27/636000127.db2.gz FBUDOXMDNQETFS-AOOOYVTPSA-N 1 2 214.284 1.041 20 0 BDADLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029176084 636000129 /nfs/dbraw/zinc/00/01/29/636000129.db2.gz FBUDOXMDNQETFS-AOOOYVTPSA-N 1 2 214.284 1.041 20 0 BDADLO C[C@@H](CC#N)[NH2+]Cc1cccc2c1OCCO2 ZINC000067406915 636044408 /nfs/dbraw/zinc/04/44/08/636044408.db2.gz ZHZUWCSVXQXPSG-JTQLQIEISA-N 1 2 232.283 1.850 20 0 BDADLO C[C@H](O)C[N@H+](Cc1nccn1C1CC1)C1CC1 ZINC000895228892 636122838 /nfs/dbraw/zinc/12/28/38/636122838.db2.gz FNBWFHRSVOEMDT-JTQLQIEISA-N 1 2 235.331 1.563 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1nccn1C1CC1)C1CC1 ZINC000895228892 636122842 /nfs/dbraw/zinc/12/28/42/636122842.db2.gz FNBWFHRSVOEMDT-JTQLQIEISA-N 1 2 235.331 1.563 20 0 BDADLO C[N@H+](Cc1coc(C(C)(C)C)n1)C1(CO)CC1 ZINC000930465991 633840944 /nfs/dbraw/zinc/84/09/44/633840944.db2.gz TVTSEZYSDDJOPK-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO C[N@@H+](Cc1coc(C(C)(C)C)n1)C1(CO)CC1 ZINC000930465991 633840946 /nfs/dbraw/zinc/84/09/46/633840946.db2.gz TVTSEZYSDDJOPK-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)S(=O)(=O)CC[NH2+]Cc1nccs1 ZINC000309127192 633850308 /nfs/dbraw/zinc/85/03/08/633850308.db2.gz WSDOSLMLWKKQQR-UHFFFAOYSA-N 1 2 248.373 1.056 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2COC[C@H]2C)c(C)c[nH+]1 ZINC000930625584 633952019 /nfs/dbraw/zinc/95/20/19/633952019.db2.gz ISEUBNIPVINORV-SKDRFNHKSA-N 1 2 249.314 1.277 20 0 BDADLO CC[C@@H](C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854740983 634096402 /nfs/dbraw/zinc/09/64/02/634096402.db2.gz FMQJUAHDLWPGQU-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO CCC(CC)(C[NH3+])C(=O)NO[C@@H]1CCCCO1 ZINC000236692873 634100384 /nfs/dbraw/zinc/10/03/84/634100384.db2.gz KIMMATIRZUQJEW-SNVBAGLBSA-N 1 2 244.335 1.326 20 0 BDADLO CC1(C)C[C@@](C)([NH2+]CCc2cn[nH]c2)C(=O)O1 ZINC000930872486 634146910 /nfs/dbraw/zinc/14/69/10/634146910.db2.gz KQFGDSVQLDTSSN-GFCCVEGCSA-N 1 2 237.303 1.026 20 0 BDADLO c1cc(C[NH2+]Cc2cnn(CC3CCC3)c2)on1 ZINC000893549543 635141261 /nfs/dbraw/zinc/14/12/61/635141261.db2.gz XMOAVBLBNINPBO-UHFFFAOYSA-N 1 2 246.314 1.961 20 0 BDADLO CS[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980742353 635264971 /nfs/dbraw/zinc/26/49/71/635264971.db2.gz YICAJUGKGICDNO-SNVBAGLBSA-N 1 2 248.367 1.242 20 0 BDADLO CS[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980742353 635264976 /nfs/dbraw/zinc/26/49/76/635264976.db2.gz YICAJUGKGICDNO-SNVBAGLBSA-N 1 2 248.367 1.242 20 0 BDADLO CC[C@H](O)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000218805154 635267108 /nfs/dbraw/zinc/26/71/08/635267108.db2.gz FCSGMQYJVVPKEM-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094369903 635316129 /nfs/dbraw/zinc/31/61/29/635316129.db2.gz SDTTUXJMHMTHHK-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2[C@H](C)O[C@H](C)[C@H]2C)n1 ZINC000250190377 635696560 /nfs/dbraw/zinc/69/65/60/635696560.db2.gz OOJXPUDVJNVXSU-REIXXSIJSA-N 1 2 239.319 1.706 20 0 BDADLO S=C(NCCn1cc[nH+]c1)Nc1ccccc1 ZINC000048040935 635800556 /nfs/dbraw/zinc/80/05/56/635800556.db2.gz XYIYEAHCROQYIR-UHFFFAOYSA-N 1 2 246.339 1.870 20 0 BDADLO CO[C@H]1CC[C@@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000894938623 636009622 /nfs/dbraw/zinc/00/96/22/636009622.db2.gz BDPRTEGGBUISLJ-MNOVXSKESA-N 1 2 246.314 1.733 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ncco2)o1 ZINC000925123555 636121431 /nfs/dbraw/zinc/12/14/31/636121431.db2.gz MHCOJOPXAXSFBT-UWVGGRQHSA-N 1 2 236.271 1.960 20 0 BDADLO CC(C)(C)OC1C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC000895872716 636179517 /nfs/dbraw/zinc/17/95/17/636179517.db2.gz LGCGAJCONLKMMG-NSHDSACASA-N 1 2 243.347 1.637 20 0 BDADLO OCc1cc[nH+]c(NCC[C@H](O)C2CC2)c1 ZINC000897384068 636566271 /nfs/dbraw/zinc/56/62/71/636566271.db2.gz GRDMBFVGVNTOKF-NSHDSACASA-N 1 2 222.288 1.147 20 0 BDADLO CCc1cc(C(=O)NC2C[NH+](C(C)C)C2)no1 ZINC000897492610 636722665 /nfs/dbraw/zinc/72/26/65/636722665.db2.gz BZIUPCVTHHVYKU-UHFFFAOYSA-N 1 2 237.303 1.059 20 0 BDADLO COc1nccnc1C[NH2+][C@H](C)c1ccnn1C ZINC000865838464 636826975 /nfs/dbraw/zinc/82/69/75/636826975.db2.gz JCEGATZKEPULIG-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCCC(=O)COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923887801 636962105 /nfs/dbraw/zinc/96/21/05/636962105.db2.gz HUJNFEOHMDOMOZ-GFCCVEGCSA-N 1 2 241.331 1.772 20 0 BDADLO CCCC(=O)COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923887801 636962113 /nfs/dbraw/zinc/96/21/13/636962113.db2.gz HUJNFEOHMDOMOZ-GFCCVEGCSA-N 1 2 241.331 1.772 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898498329 637043611 /nfs/dbraw/zinc/04/36/11/637043611.db2.gz INUXFRMIYKZWEU-DCAQKATOSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898498329 637043612 /nfs/dbraw/zinc/04/36/12/637043612.db2.gz INUXFRMIYKZWEU-DCAQKATOSA-N 1 2 228.311 1.193 20 0 BDADLO CC(=O)C1(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898909681 637063917 /nfs/dbraw/zinc/06/39/17/637063917.db2.gz RFWFNSKBGNCBAI-UHFFFAOYSA-N 1 2 249.314 1.104 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900826197 637193340 /nfs/dbraw/zinc/19/33/40/637193340.db2.gz ALAKXQWGQXFGPH-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CCC[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900826200 637193445 /nfs/dbraw/zinc/19/34/45/637193445.db2.gz ALAKXQWGQXFGPH-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900904785 637198574 /nfs/dbraw/zinc/19/85/74/637198574.db2.gz UFGVIWOABDZEKZ-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000162244509 637313518 /nfs/dbraw/zinc/31/35/18/637313518.db2.gz FIYIGOQTTGPNLW-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2C[C@@H](O)C2)n1 ZINC000904265434 637394497 /nfs/dbraw/zinc/39/44/97/637394497.db2.gz JWQDOXCEUAQGHQ-OCAPTIKFSA-N 1 2 246.270 1.261 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)n1 ZINC000904501083 637427871 /nfs/dbraw/zinc/42/78/71/637427871.db2.gz UCHGHMJOHQQXBH-UFSYXXTASA-N 1 2 233.315 1.939 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000904578012 637436275 /nfs/dbraw/zinc/43/62/75/637436275.db2.gz IJZFJEYMTGKTHU-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000904578012 637436278 /nfs/dbraw/zinc/43/62/78/637436278.db2.gz IJZFJEYMTGKTHU-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO c1[nH]cc(CCc2nc(-c3ccncn3)no2)[nH+]1 ZINC000904864385 637513259 /nfs/dbraw/zinc/51/32/59/637513259.db2.gz LIJBGYJQQYKVHV-UHFFFAOYSA-N 1 2 242.242 1.035 20 0 BDADLO CCn1c[nH+]cc1C=Cc1ncc(OC)c(=O)[nH]1 ZINC000905077089 637608460 /nfs/dbraw/zinc/60/84/60/637608460.db2.gz REMGSYRJQQPZNY-SNAWJCMRSA-N 1 2 246.270 1.578 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)c2cccc(C)c2)no1 ZINC000905120414 637626499 /nfs/dbraw/zinc/62/64/99/637626499.db2.gz AJJJGPQUMQEERG-LBPRGKRZSA-N 1 2 247.298 1.510 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cnsn1 ZINC000905491703 637836552 /nfs/dbraw/zinc/83/65/52/637836552.db2.gz HRLQQYJEOJMROY-QMMMGPOBSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cnsn1 ZINC000905491703 637836555 /nfs/dbraw/zinc/83/65/55/637836555.db2.gz HRLQQYJEOJMROY-QMMMGPOBSA-N 1 2 240.332 1.349 20 0 BDADLO CCOC(C)(C)C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000905765493 637920281 /nfs/dbraw/zinc/92/02/81/637920281.db2.gz OUZLWICFXJUCOO-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@H](C(=O)OC)[C@H](C)CC)C1 ZINC000905771758 637927279 /nfs/dbraw/zinc/92/72/79/637927279.db2.gz KPTBRCYFQLONDP-WYUUTHIRSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1COC[C@@H]1C ZINC000905869031 637954669 /nfs/dbraw/zinc/95/46/69/637954669.db2.gz YDOMQVMJFXILKV-SDDRHHMPSA-N 1 2 243.347 1.589 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906267667 638130485 /nfs/dbraw/zinc/13/04/85/638130485.db2.gz ZBWAJNGUGZYUFG-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906267667 638130487 /nfs/dbraw/zinc/13/04/87/638130487.db2.gz ZBWAJNGUGZYUFG-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccnn1C ZINC000906322510 638144735 /nfs/dbraw/zinc/14/47/35/638144735.db2.gz GZJXQHKCGSQXKN-VIFPVBQESA-N 1 2 246.318 1.197 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000906660314 638233985 /nfs/dbraw/zinc/23/39/85/638233985.db2.gz ICUDZIPQJIIPJY-JQWIXIFHSA-N 1 2 234.299 1.566 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C2CC2)CCC1 ZINC000906881741 638261368 /nfs/dbraw/zinc/26/13/68/638261368.db2.gz BPCCESKJKKDUKJ-UHFFFAOYSA-N 1 2 233.315 1.915 20 0 BDADLO CCc1nc[nH]c1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000906946514 638282493 /nfs/dbraw/zinc/28/24/93/638282493.db2.gz UPCNQNMZGSYTPC-UHFFFAOYSA-N 1 2 247.302 1.242 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[C@H](CO)C2)c(C)[nH+]1 ZINC000907145847 638312961 /nfs/dbraw/zinc/31/29/61/638312961.db2.gz RZAXCWJQUVUAMB-LBPRGKRZSA-N 1 2 248.326 1.461 20 0 BDADLO Cc1cc(C)c(C(=O)N2C[C@H](O)[C@@H](C)C2)c(C)[nH+]1 ZINC000907193361 638322332 /nfs/dbraw/zinc/32/23/32/638322332.db2.gz XYRKZFQLMZXETR-CABZTGNLSA-N 1 2 248.326 1.460 20 0 BDADLO CC[C@@H](O)[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907905660 638508382 /nfs/dbraw/zinc/50/83/82/638508382.db2.gz UVAGLGLNAFRWGA-GXSJLCMTSA-N 1 2 247.298 1.680 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccsc1 ZINC000908038490 638557603 /nfs/dbraw/zinc/55/76/03/638557603.db2.gz KKOHPQSOUCZRHJ-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO CCC[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000908148159 638572314 /nfs/dbraw/zinc/57/23/14/638572314.db2.gz RGTRJEZWEASFPH-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc2c(cn1)CCC2 ZINC000908442442 638716095 /nfs/dbraw/zinc/71/60/95/638716095.db2.gz FZGKVFBDOKERNL-UHFFFAOYSA-N 1 2 242.282 1.475 20 0 BDADLO CC1(C)CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908449102 638718172 /nfs/dbraw/zinc/71/81/72/638718172.db2.gz VULRLASIDUXVOV-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CC(F)(F)F ZINC000910437884 639460586 /nfs/dbraw/zinc/46/05/86/639460586.db2.gz DZBZQYVXEABPML-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC12CC2 ZINC000911290335 639613048 /nfs/dbraw/zinc/61/30/48/639613048.db2.gz KRPUIOHPUVSLHC-SECBINFHSA-N 1 2 217.272 1.162 20 0 BDADLO CCCCC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000930220494 639640188 /nfs/dbraw/zinc/64/01/88/639640188.db2.gz BZDAKGWHURQQGC-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000930221681 639640420 /nfs/dbraw/zinc/64/04/20/639640420.db2.gz JEZQJQCEOYQGRH-RWMBFGLXSA-N 1 2 247.342 1.826 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+](C)Cc1noc(C)n1 ZINC000930242316 639648202 /nfs/dbraw/zinc/64/82/02/639648202.db2.gz WTHGQOXSFIBZLF-ZJUUUORDSA-N 1 2 209.293 1.856 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1noc(C)n1 ZINC000930242316 639648205 /nfs/dbraw/zinc/64/82/05/639648205.db2.gz WTHGQOXSFIBZLF-ZJUUUORDSA-N 1 2 209.293 1.856 20 0 BDADLO CCCNC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044138899 639695456 /nfs/dbraw/zinc/69/54/56/639695456.db2.gz IZORJOWGEKJJEW-VIFPVBQESA-N 1 2 226.349 1.146 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930562210 639810833 /nfs/dbraw/zinc/81/08/33/639810833.db2.gz MXJPCJHDOOOEAS-SDKXAQGSSA-N 1 2 241.331 1.605 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930562210 639810834 /nfs/dbraw/zinc/81/08/34/639810834.db2.gz MXJPCJHDOOOEAS-SDKXAQGSSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@](COC)([NH2+]CC1CC(C)C1)C(=O)OC ZINC000930684160 639860962 /nfs/dbraw/zinc/86/09/62/639860962.db2.gz MHXBHVHZINUHKD-GCZXYKMCSA-N 1 2 243.347 1.590 20 0 BDADLO OC[C@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000930702409 639869284 /nfs/dbraw/zinc/86/92/84/639869284.db2.gz PWGGVWHUAROPLI-LLVKDONJSA-N 1 2 227.691 1.009 20 0 BDADLO OC[C@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000930702409 639869286 /nfs/dbraw/zinc/86/92/86/639869286.db2.gz PWGGVWHUAROPLI-LLVKDONJSA-N 1 2 227.691 1.009 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000911914440 639891802 /nfs/dbraw/zinc/89/18/02/639891802.db2.gz LTCHZDSARGAEJK-MRVPVSSYSA-N 1 2 209.293 1.503 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(=O)CC12CCC2 ZINC000911997081 639917602 /nfs/dbraw/zinc/91/76/02/639917602.db2.gz VCEQINOKXPKOGQ-UHFFFAOYSA-N 1 2 247.298 1.066 20 0 BDADLO Cc1cncc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1 ZINC000930836480 639935796 /nfs/dbraw/zinc/93/57/96/639935796.db2.gz HMANPVIFGKKWBE-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cncc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1 ZINC000930836480 639935799 /nfs/dbraw/zinc/93/57/99/639935799.db2.gz HMANPVIFGKKWBE-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000930866844 639960704 /nfs/dbraw/zinc/96/07/04/639960704.db2.gz YKLVDTYCGBXETE-DTORHVGOSA-N 1 2 227.258 1.425 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000930866844 639960709 /nfs/dbraw/zinc/96/07/09/639960709.db2.gz YKLVDTYCGBXETE-DTORHVGOSA-N 1 2 227.258 1.425 20 0 BDADLO CC(C)OCCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930878825 639967782 /nfs/dbraw/zinc/96/77/82/639967782.db2.gz ZDRUVCQACGGIMI-CYBMUJFWSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]1CCCCN1NC(=O)CCc1[nH]cc[nH+]1 ZINC000912143690 639967987 /nfs/dbraw/zinc/96/79/87/639967987.db2.gz FXRGKAAZLAPLBS-SNVBAGLBSA-N 1 2 236.319 1.248 20 0 BDADLO C[C@H](C1CC1)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000930964965 640001733 /nfs/dbraw/zinc/00/17/33/640001733.db2.gz RODIBPVOARXINC-APPZFPTMSA-N 1 2 205.248 1.487 20 0 BDADLO C[C@H](C1CC1)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000930964965 640001742 /nfs/dbraw/zinc/00/17/42/640001742.db2.gz RODIBPVOARXINC-APPZFPTMSA-N 1 2 205.248 1.487 20 0 BDADLO CN(Cc1ccns1)C(=O)Cc1c[nH+]c[nH]1 ZINC000912337712 640034242 /nfs/dbraw/zinc/03/42/42/640034242.db2.gz KVLYUOCWEKOSCT-UHFFFAOYSA-N 1 2 236.300 1.067 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1cscn1 ZINC000912393099 640051176 /nfs/dbraw/zinc/05/11/76/640051176.db2.gz ZVXWUTYLGHLONX-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO c1nnc([C@@H]2CCC[N@H+]2CCc2cccnc2)[nH]1 ZINC000931139534 640072271 /nfs/dbraw/zinc/07/22/71/640072271.db2.gz MVWBEDRJPPVEDR-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1nnc([C@@H]2CCC[N@@H+]2CCc2cccnc2)[nH]1 ZINC000931139534 640072277 /nfs/dbraw/zinc/07/22/77/640072277.db2.gz MVWBEDRJPPVEDR-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO CC1(C)CC(NC(=O)CNc2cccc[nH+]2)C1 ZINC000912723450 640179227 /nfs/dbraw/zinc/17/92/27/640179227.db2.gz GYSAEQVNFUJZMO-UHFFFAOYSA-N 1 2 233.315 1.798 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000931424523 640192836 /nfs/dbraw/zinc/19/28/36/640192836.db2.gz HWHHBIQMXUEBMR-QXEWZRGKSA-N 1 2 217.259 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000931424523 640192841 /nfs/dbraw/zinc/19/28/41/640192841.db2.gz HWHHBIQMXUEBMR-QXEWZRGKSA-N 1 2 217.259 1.752 20 0 BDADLO Cc1cc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)on1 ZINC000931456808 640212746 /nfs/dbraw/zinc/21/27/46/640212746.db2.gz RZPRZIMSAZMKCM-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1cc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)on1 ZINC000931456808 640212748 /nfs/dbraw/zinc/21/27/48/640212748.db2.gz RZPRZIMSAZMKCM-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1cc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)on1 ZINC000931456809 640213752 /nfs/dbraw/zinc/21/37/52/640213752.db2.gz RZPRZIMSAZMKCM-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1cc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)on1 ZINC000931456809 640213756 /nfs/dbraw/zinc/21/37/56/640213756.db2.gz RZPRZIMSAZMKCM-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccn2)Cc2c[nH]nc21 ZINC000931460031 640216764 /nfs/dbraw/zinc/21/67/64/640216764.db2.gz UWRQEPOCAIOUAL-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccn2)Cc2c[nH]nc21 ZINC000931460031 640216771 /nfs/dbraw/zinc/21/67/71/640216771.db2.gz UWRQEPOCAIOUAL-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO CC[C@@H](CO)[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000931536598 640262965 /nfs/dbraw/zinc/26/29/65/640262965.db2.gz WCWYNFFJVPRTIY-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H](CO)[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000931536598 640262971 /nfs/dbraw/zinc/26/29/71/640262971.db2.gz WCWYNFFJVPRTIY-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CCn1cc(C[N@H+](C)CCCF)nn1 ZINC000931762901 640354647 /nfs/dbraw/zinc/35/46/47/640354647.db2.gz BVMQBWOVSVJTSV-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO CCn1cc(C[N@@H+](C)CCCF)nn1 ZINC000931762901 640354650 /nfs/dbraw/zinc/35/46/50/640354650.db2.gz BVMQBWOVSVJTSV-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO CC[C@@H](CO)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000931773874 640366055 /nfs/dbraw/zinc/36/60/55/640366055.db2.gz VQPFNIDREZGHRA-NSHDSACASA-N 1 2 246.314 1.128 20 0 BDADLO C/C=C(/CC)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913451157 640372621 /nfs/dbraw/zinc/37/26/21/640372621.db2.gz KBCFYWSAMDLWTK-UOLPYZNQSA-N 1 2 248.330 1.239 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3nccn3C)C2)no1 ZINC000931935359 640396015 /nfs/dbraw/zinc/39/60/15/640396015.db2.gz LJERGBMLLMKWKP-SNVBAGLBSA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3nccn3C)C2)no1 ZINC000931935359 640396021 /nfs/dbraw/zinc/39/60/21/640396021.db2.gz LJERGBMLLMKWKP-SNVBAGLBSA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)no1 ZINC000931936261 640396298 /nfs/dbraw/zinc/39/62/98/640396298.db2.gz NBMBKXFVGJPLNK-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)no1 ZINC000931936261 640396302 /nfs/dbraw/zinc/39/63/02/640396302.db2.gz NBMBKXFVGJPLNK-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc(NC[C@@H](O)c2ccccc2)cc[nH+]1 ZINC000054935816 640423639 /nfs/dbraw/zinc/42/36/39/640423639.db2.gz XOFAWMNPJDCXBR-GFCCVEGCSA-N 1 2 229.283 1.931 20 0 BDADLO C[C@H]1COC[C@@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000932489847 640554005 /nfs/dbraw/zinc/55/40/05/640554005.db2.gz SQTIUSWKROZBRC-WPRPVWTQSA-N 1 2 237.303 1.462 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2COC[C@H]2C)no1 ZINC000932497026 640557523 /nfs/dbraw/zinc/55/75/23/640557523.db2.gz GSQIEZCPGJSBGP-RKDXNWHRSA-N 1 2 225.292 1.147 20 0 BDADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000932502635 640561062 /nfs/dbraw/zinc/56/10/62/640561062.db2.gz WISBSZMMBGWOFB-APPZFPTMSA-N 1 2 223.276 1.072 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2COC[C@@H]2C)no1 ZINC000932499121 640561258 /nfs/dbraw/zinc/56/12/58/640561258.db2.gz IKKAZVSNBSOZCP-DTWKUNHWSA-N 1 2 225.292 1.318 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030070763 640575617 /nfs/dbraw/zinc/57/56/17/640575617.db2.gz ARLVEMRQWMTBSP-JQWIXIFHSA-N 1 2 222.332 1.409 20 0 BDADLO CSCC1CC[NH+](Cc2cnon2)CC1 ZINC000932585584 640577003 /nfs/dbraw/zinc/57/70/03/640577003.db2.gz DJCSLZFZXPIJOD-UHFFFAOYSA-N 1 2 227.333 1.645 20 0 BDADLO CSCC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000932587430 640578225 /nfs/dbraw/zinc/57/82/25/640578225.db2.gz KIYAJMKPDOTOAH-UHFFFAOYSA-N 1 2 241.360 1.953 20 0 BDADLO FCC[N@@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC000932597526 640583105 /nfs/dbraw/zinc/58/31/05/640583105.db2.gz JHVKYLVECRQAPK-UHFFFAOYSA-N 1 2 237.200 1.687 20 0 BDADLO FCC[N@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC000932597526 640583114 /nfs/dbraw/zinc/58/31/14/640583114.db2.gz JHVKYLVECRQAPK-UHFFFAOYSA-N 1 2 237.200 1.687 20 0 BDADLO COC(=O)CCCC[N@@H+]1CCCC(=O)[C@@H]1C ZINC000932845733 640619142 /nfs/dbraw/zinc/61/91/42/640619142.db2.gz MCHVXEFFHKEEBA-JTQLQIEISA-N 1 2 227.304 1.383 20 0 BDADLO COC(=O)CCCC[N@H+]1CCCC(=O)[C@@H]1C ZINC000932845733 640619144 /nfs/dbraw/zinc/61/91/44/640619144.db2.gz MCHVXEFFHKEEBA-JTQLQIEISA-N 1 2 227.304 1.383 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000932975067 640658141 /nfs/dbraw/zinc/65/81/41/640658141.db2.gz WTVPQPSTDVUBSB-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000932975067 640658143 /nfs/dbraw/zinc/65/81/43/640658143.db2.gz WTVPQPSTDVUBSB-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CCOCCN1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000933245626 640690257 /nfs/dbraw/zinc/69/02/57/640690257.db2.gz HHXSDHTZVGUIPE-ZDUSSCGKSA-N 1 2 228.380 1.685 20 0 BDADLO CCOCCN1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000933245626 640690260 /nfs/dbraw/zinc/69/02/60/640690260.db2.gz HHXSDHTZVGUIPE-ZDUSSCGKSA-N 1 2 228.380 1.685 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@](C)(O)C2)o1 ZINC000226211520 640738939 /nfs/dbraw/zinc/73/89/39/640738939.db2.gz XOUREAJWFOFOMB-GFCCVEGCSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@](C)(O)C2)o1 ZINC000226211520 640738941 /nfs/dbraw/zinc/73/89/41/640738941.db2.gz XOUREAJWFOFOMB-GFCCVEGCSA-N 1 2 239.319 1.324 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933667115 640739480 /nfs/dbraw/zinc/73/94/80/640739480.db2.gz PGEULRHDBKKZQP-YNXKYEFMSA-N 1 2 245.750 1.866 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933667115 640739485 /nfs/dbraw/zinc/73/94/85/640739485.db2.gz PGEULRHDBKKZQP-YNXKYEFMSA-N 1 2 245.750 1.866 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001030302189 640741525 /nfs/dbraw/zinc/74/15/25/640741525.db2.gz DQCHHYFILQMMRP-KOLCDFICSA-N 1 2 248.326 1.837 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001030307315 640744418 /nfs/dbraw/zinc/74/44/18/640744418.db2.gz PWCLHZXWZWCSIV-LLVKDONJSA-N 1 2 236.359 1.777 20 0 BDADLO FCC[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933691630 640745396 /nfs/dbraw/zinc/74/53/96/640745396.db2.gz JRVOYRARNMHJNU-WDEREUQCSA-N 1 2 217.284 1.226 20 0 BDADLO FCC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933691630 640745401 /nfs/dbraw/zinc/74/54/01/640745401.db2.gz JRVOYRARNMHJNU-WDEREUQCSA-N 1 2 217.284 1.226 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933869480 640777017 /nfs/dbraw/zinc/77/70/17/640777017.db2.gz CCLNLRBLLIREJU-NSHDSACASA-N 1 2 236.319 1.386 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933869480 640777022 /nfs/dbraw/zinc/77/70/22/640777022.db2.gz CCLNLRBLLIREJU-NSHDSACASA-N 1 2 236.319 1.386 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@H]2C2OCCO2)cn1 ZINC000933899433 640785123 /nfs/dbraw/zinc/78/51/23/640785123.db2.gz NARILVMOWGMNPC-LBPRGKRZSA-N 1 2 249.314 1.122 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@H]2C2OCCO2)cn1 ZINC000933899433 640785127 /nfs/dbraw/zinc/78/51/27/640785127.db2.gz NARILVMOWGMNPC-LBPRGKRZSA-N 1 2 249.314 1.122 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001030358062 640786101 /nfs/dbraw/zinc/78/61/01/640786101.db2.gz RIZZYJRFJCUYJT-LBPRGKRZSA-N 1 2 236.359 1.943 20 0 BDADLO c1cc(C[NH2+][C@H]2CCc3cccnc32)n[nH]1 ZINC000226816621 640793536 /nfs/dbraw/zinc/79/35/36/640793536.db2.gz WVAGUPGIEPRRFI-NSHDSACASA-N 1 2 214.272 1.582 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1CCc2cccnc21 ZINC000226820350 640794762 /nfs/dbraw/zinc/79/47/62/640794762.db2.gz YWJNVGZGRRXPEB-NSHDSACASA-N 1 2 228.299 1.592 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2C(F)F)C1 ZINC001030432992 640856953 /nfs/dbraw/zinc/85/69/53/640856953.db2.gz UKLKTRKMYVRZAV-UWVGGRQHSA-N 1 2 246.301 1.488 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H](CO)SC)nc[nH+]1 ZINC000228465079 640875411 /nfs/dbraw/zinc/87/54/11/640875411.db2.gz CRLCZMYZRUYTHA-YUMQZZPRSA-N 1 2 242.348 1.043 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H](CO)SC)[nH+]cn1 ZINC000228465079 640875414 /nfs/dbraw/zinc/87/54/14/640875414.db2.gz CRLCZMYZRUYTHA-YUMQZZPRSA-N 1 2 242.348 1.043 20 0 BDADLO Cc1noc(C(=O)NC2C[NH+](C(C)C)C2)c1C ZINC001030497158 640884519 /nfs/dbraw/zinc/88/45/19/640884519.db2.gz LFFZAOLVTIDTON-UHFFFAOYSA-N 1 2 237.303 1.114 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccccc2COC)C1 ZINC001030604413 640951782 /nfs/dbraw/zinc/95/17/82/640951782.db2.gz ZBSPXGKLLBBGOF-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO CCCNc1cc(N(C)C[C@H](C)O)nc[nH+]1 ZINC000087826826 641059944 /nfs/dbraw/zinc/05/99/44/641059944.db2.gz CMNZHIRMYLPJGB-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CCCNc1cc(N(C)C[C@H](C)O)[nH+]cn1 ZINC000087826826 641059946 /nfs/dbraw/zinc/05/99/46/641059946.db2.gz CMNZHIRMYLPJGB-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CNc1cc(N2C[C@@H](C)[C@H](C)C2)nc[nH+]1 ZINC000087838351 641065235 /nfs/dbraw/zinc/06/52/35/641065235.db2.gz OYSFZEZLQQLZJP-RKDXNWHRSA-N 1 2 206.293 1.611 20 0 BDADLO CNc1cc(N2C[C@@H](C)[C@H](C)C2)[nH+]cn1 ZINC000087838351 641065237 /nfs/dbraw/zinc/06/52/37/641065237.db2.gz OYSFZEZLQQLZJP-RKDXNWHRSA-N 1 2 206.293 1.611 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nocc1C ZINC000934105249 641068748 /nfs/dbraw/zinc/06/87/48/641068748.db2.gz NLZOKXFEWBHJFS-QWRGUYRKSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nocc1C ZINC000934105249 641068751 /nfs/dbraw/zinc/06/87/51/641068751.db2.gz NLZOKXFEWBHJFS-QWRGUYRKSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cscn1 ZINC000934128625 641085444 /nfs/dbraw/zinc/08/54/44/641085444.db2.gz SVPXXJDLGAPROP-UWVGGRQHSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cscn1 ZINC000934128625 641085447 /nfs/dbraw/zinc/08/54/47/641085447.db2.gz SVPXXJDLGAPROP-UWVGGRQHSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cscn1 ZINC000934128623 641086792 /nfs/dbraw/zinc/08/67/92/641086792.db2.gz SVPXXJDLGAPROP-NXEZZACHSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cscn1 ZINC000934128623 641086795 /nfs/dbraw/zinc/08/67/95/641086795.db2.gz SVPXXJDLGAPROP-NXEZZACHSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127240 641087251 /nfs/dbraw/zinc/08/72/51/641087251.db2.gz UBEQIQXCGRYEEV-VHSXEESVSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127240 641087256 /nfs/dbraw/zinc/08/72/56/641087256.db2.gz UBEQIQXCGRYEEV-VHSXEESVSA-N 1 2 239.319 1.802 20 0 BDADLO Cc1[nH]nc2c1CCCN2CCCn1cc[nH+]c1 ZINC000934312663 641125186 /nfs/dbraw/zinc/12/51/86/641125186.db2.gz XWFCTNPJEYPZRC-UHFFFAOYSA-N 1 2 245.330 1.758 20 0 BDADLO Cc1nc(NC[C@H]2COC(C)(C)O2)cc[nH+]1 ZINC000231504534 641175672 /nfs/dbraw/zinc/17/56/72/641175672.db2.gz LIXSFHFNSJFDKW-VIFPVBQESA-N 1 2 223.276 1.348 20 0 BDADLO COc1cccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000934571284 641200312 /nfs/dbraw/zinc/20/03/12/641200312.db2.gz QYKRGYKYJQYKHA-OLZOCXBDSA-N 1 2 239.290 1.600 20 0 BDADLO COc1cccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000934571284 641200325 /nfs/dbraw/zinc/20/03/25/641200325.db2.gz QYKRGYKYJQYKHA-OLZOCXBDSA-N 1 2 239.290 1.600 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934571172 641200773 /nfs/dbraw/zinc/20/07/73/641200773.db2.gz PNYMYMLXYZBQSB-SCVCMEIPSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934571172 641200779 /nfs/dbraw/zinc/20/07/79/641200779.db2.gz PNYMYMLXYZBQSB-SCVCMEIPSA-N 1 2 224.279 1.547 20 0 BDADLO CCC/C=C/C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000063812777 641239379 /nfs/dbraw/zinc/23/93/79/641239379.db2.gz IMISXVKFDQVMCG-FYJFLYSWSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CC1(C)COC1 ZINC000934817718 641279928 /nfs/dbraw/zinc/27/99/28/641279928.db2.gz CXSWDXARBIEFLG-UHFFFAOYSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CC[C@H](O)C(C)C ZINC000934820627 641282313 /nfs/dbraw/zinc/28/23/13/641282313.db2.gz KQLSKRDTQPIQDT-NSHDSACASA-N 1 2 245.363 1.713 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001030731289 641327853 /nfs/dbraw/zinc/32/78/53/641327853.db2.gz AFSPRISLZNTTIO-DDFAGTSDSA-N 1 2 222.332 1.243 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2occ3c2CCC3)C1 ZINC001030745771 641330612 /nfs/dbraw/zinc/33/06/12/641330612.db2.gz SVGKLECUJZTESJ-UHFFFAOYSA-N 1 2 248.326 1.592 20 0 BDADLO COCC[NH+]1CC(NC(=O)C2(C)CCCC2)C1 ZINC001030757169 641336719 /nfs/dbraw/zinc/33/67/19/641336719.db2.gz GCKPDDXTXRJJDI-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001030815883 641365510 /nfs/dbraw/zinc/36/55/10/641365510.db2.gz YJQIOBHECZXLAK-JTQLQIEISA-N 1 2 210.321 1.243 20 0 BDADLO CC[NH+]1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001030816876 641366872 /nfs/dbraw/zinc/36/68/72/641366872.db2.gz QAHAMMIMMUYTIP-UHFFFAOYSA-N 1 2 210.321 1.243 20 0 BDADLO C[C@@H](c1nc([C@H]2CCCO2)no1)[NH+](C)C ZINC000350599442 641371542 /nfs/dbraw/zinc/37/15/42/641371542.db2.gz QBENQFCLRJWWSW-JGVFFNPUSA-N 1 2 211.265 1.544 20 0 BDADLO Cc1cc(Cc2noc([C@H](C)[NH+](C)C)n2)no1 ZINC000350608779 641373352 /nfs/dbraw/zinc/37/33/52/641373352.db2.gz STQHKDQBXSAPHS-QMMMGPOBSA-N 1 2 236.275 1.579 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001030847150 641379417 /nfs/dbraw/zinc/37/94/17/641379417.db2.gz CLWCHHVYVAHXEM-CYBMUJFWSA-N 1 2 248.301 1.286 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C[C@H]2C[C@H]2C)C1 ZINC001030896722 641406579 /nfs/dbraw/zinc/40/65/79/641406579.db2.gz DJXOTPKYUHNWGE-VXGBXAGGSA-N 1 2 236.359 1.799 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2occc2CC)C1 ZINC001030906736 641414685 /nfs/dbraw/zinc/41/46/85/641414685.db2.gz DFHZPBIVVNWPTQ-UHFFFAOYSA-N 1 2 236.315 1.666 20 0 BDADLO CCSCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829245401 641414875 /nfs/dbraw/zinc/41/48/75/641414875.db2.gz LSYVIZSTDFKBTJ-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000759347187 641422376 /nfs/dbraw/zinc/42/23/76/641422376.db2.gz KHNAETMXYXJPMZ-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000759347187 641422378 /nfs/dbraw/zinc/42/23/78/641422378.db2.gz KHNAETMXYXJPMZ-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO C[N@H+](C[C@H]1CCCO1)CN1CCSC1=O ZINC000151725753 641459405 /nfs/dbraw/zinc/45/94/05/641459405.db2.gz VSZCYNGMKJGLCH-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO C[N@@H+](C[C@H]1CCCO1)CN1CCSC1=O ZINC000151725753 641459410 /nfs/dbraw/zinc/45/94/10/641459410.db2.gz VSZCYNGMKJGLCH-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO C[C@H](O)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935708659 641466698 /nfs/dbraw/zinc/46/66/98/641466698.db2.gz LHXFAVZPLOVBAL-VIFPVBQESA-N 1 2 247.298 1.454 20 0 BDADLO C=Cc1ccc(C(=O)NC2C[NH+](CC)C2)cc1 ZINC001030995519 641573277 /nfs/dbraw/zinc/57/32/77/641573277.db2.gz MKQHCFJAOUZXNM-UHFFFAOYSA-N 1 2 230.311 1.764 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC(OC)OC ZINC000152457450 641579989 /nfs/dbraw/zinc/57/99/89/641579989.db2.gz LISMNRRQIHZKLG-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@H+]1CC(OC)OC ZINC000152457450 641579994 /nfs/dbraw/zinc/57/99/94/641579994.db2.gz LISMNRRQIHZKLG-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO C[C@@H]1CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000914154221 641588154 /nfs/dbraw/zinc/58/81/54/641588154.db2.gz XNQJNTRQLISYDA-SNVBAGLBSA-N 1 2 233.315 1.383 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC001031044506 641639346 /nfs/dbraw/zinc/63/93/46/641639346.db2.gz ZQHRQMNXQIKNDK-NXEZZACHSA-N 1 2 210.321 1.243 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001031067987 641678996 /nfs/dbraw/zinc/67/89/96/641678996.db2.gz VCLYTOYUQCPVJN-SNVBAGLBSA-N 1 2 236.315 1.512 20 0 BDADLO CCCCC[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000187879950 641728940 /nfs/dbraw/zinc/72/89/40/641728940.db2.gz GZKANBAMQVHLJP-NEPJUHHUSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(-c3ccco3)no2)O1 ZINC000924003034 641733393 /nfs/dbraw/zinc/73/33/93/641733393.db2.gz IJLBOVVSUZKKNF-SCZZXKLOSA-N 1 2 249.270 1.721 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ccco3)no2)O1 ZINC000924003034 641733402 /nfs/dbraw/zinc/73/34/02/641733402.db2.gz IJLBOVVSUZKKNF-SCZZXKLOSA-N 1 2 249.270 1.721 20 0 BDADLO COC[C@H](C)C[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000187907619 641734545 /nfs/dbraw/zinc/73/45/45/641734545.db2.gz LSFRBTRUAZHEJO-MNOVXSKESA-N 1 2 231.336 1.446 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031168778 641764510 /nfs/dbraw/zinc/76/45/10/641764510.db2.gz STMVNGJZIKUNNO-NWDGAFQWSA-N 1 2 242.338 1.439 20 0 BDADLO CC[C@@H]1C[C@@H](C(=O)NC2C[NH+](CC)C2)CCO1 ZINC001031216686 641823966 /nfs/dbraw/zinc/82/39/66/641823966.db2.gz XWCUVINQLZENHB-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[NH+]1CC(NC(=O)C(C2CC2)C2CC2)C1 ZINC001031227458 641831405 /nfs/dbraw/zinc/83/14/05/641831405.db2.gz CVHDBFCUUUQSNP-UHFFFAOYSA-N 1 2 222.332 1.243 20 0 BDADLO CCC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000190163406 641846832 /nfs/dbraw/zinc/84/68/32/641846832.db2.gz GUENHWVOVGEZSV-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO CCC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000190163406 641846836 /nfs/dbraw/zinc/84/68/36/641846836.db2.gz GUENHWVOVGEZSV-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000628117806 641857913 /nfs/dbraw/zinc/85/79/13/641857913.db2.gz VRXYTGYNKRGIKM-DTORHVGOSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000628117806 641857916 /nfs/dbraw/zinc/85/79/16/641857916.db2.gz VRXYTGYNKRGIKM-DTORHVGOSA-N 1 2 210.277 1.592 20 0 BDADLO O=C(C=C1CCCC1)NCCCn1cc[nH+]c1 ZINC000917526642 642078713 /nfs/dbraw/zinc/07/87/13/642078713.db2.gz MVRLCUHDELYHJS-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO O=C(OCn1c[nH+]c2c1CCCC2)C1CC1 ZINC000917784387 642122657 /nfs/dbraw/zinc/12/26/57/642122657.db2.gz MVFMHNMYZCNSEB-UHFFFAOYSA-N 1 2 220.272 1.673 20 0 BDADLO c1nc(-c2noc([C@H]3C[C@@H]3c3c[nH]c[nH+]3)n2)co1 ZINC000924013801 642160368 /nfs/dbraw/zinc/16/03/68/642160368.db2.gz SFSDXARCVQWICO-BQBZGAKWSA-N 1 2 243.226 1.719 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1csnn1)C2 ZINC000933254940 642425553 /nfs/dbraw/zinc/42/55/53/642425553.db2.gz FEYUGDHNAYPVID-UHFFFAOYSA-N 1 2 249.343 1.313 20 0 BDADLO CC[C@@H](C)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000891390728 642459260 /nfs/dbraw/zinc/45/92/60/642459260.db2.gz OTTGKPNTYKWZFE-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO CC[C@@H](C)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000891390728 642459262 /nfs/dbraw/zinc/45/92/62/642459262.db2.gz OTTGKPNTYKWZFE-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO N#CC(C#N)=CNCC[NH+]1Cc2ccccc2C1 ZINC000068175632 642747091 /nfs/dbraw/zinc/74/70/91/642747091.db2.gz GSYMNXUGYFOHAK-UHFFFAOYSA-N 1 2 238.294 1.523 20 0 BDADLO CC(=O)N[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1C ZINC000964511972 642753417 /nfs/dbraw/zinc/75/34/17/642753417.db2.gz SWBSBMIZPIFGPJ-SKDRFNHKSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1C ZINC000964511972 642753425 /nfs/dbraw/zinc/75/34/25/642753425.db2.gz SWBSBMIZPIFGPJ-SKDRFNHKSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001009800320 642839707 /nfs/dbraw/zinc/83/97/07/642839707.db2.gz MQGSPTBCJHJSRX-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001009800320 642839708 /nfs/dbraw/zinc/83/97/08/642839708.db2.gz MQGSPTBCJHJSRX-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010104163 642852350 /nfs/dbraw/zinc/85/23/50/642852350.db2.gz GHXZFZGCUYBYSG-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010104163 642852354 /nfs/dbraw/zinc/85/23/54/642852354.db2.gz GHXZFZGCUYBYSG-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001015529837 642903084 /nfs/dbraw/zinc/90/30/84/642903084.db2.gz GTVHIFRKDPSVPZ-AAEUAGOBSA-N 1 2 240.322 1.503 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001015529837 642903105 /nfs/dbraw/zinc/90/31/05/642903105.db2.gz GTVHIFRKDPSVPZ-AAEUAGOBSA-N 1 2 240.322 1.503 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccc(F)c1 ZINC000069794735 642907016 /nfs/dbraw/zinc/90/70/16/642907016.db2.gz CWFGZZIKFKGCLU-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069890310 642927496 /nfs/dbraw/zinc/92/74/96/642927496.db2.gz RPZSOXKOJNEZFH-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)OC ZINC000252778598 643116080 /nfs/dbraw/zinc/11/60/80/643116080.db2.gz PISLRCBWXDOQGL-NAKRPEOUSA-N 1 2 243.347 1.323 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032025851 643196242 /nfs/dbraw/zinc/19/62/42/643196242.db2.gz APRHHHDRVOMAMK-ZYHUDNBSSA-N 1 2 242.338 1.440 20 0 BDADLO CCOc1ccc(C[N@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000073604696 643219819 /nfs/dbraw/zinc/21/98/19/643219819.db2.gz SNPPQDINPYXNIE-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO CCOc1ccc(C[N@@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000073604696 643219824 /nfs/dbraw/zinc/21/98/24/643219824.db2.gz SNPPQDINPYXNIE-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO CS[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000081466917 643222062 /nfs/dbraw/zinc/22/20/62/643222062.db2.gz NCJLXAFKPMMIQZ-NXEZZACHSA-N 1 2 239.344 1.283 20 0 BDADLO CSCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073828067 643222703 /nfs/dbraw/zinc/22/27/03/643222703.db2.gz LZAJQPGXNLRBGR-SECBINFHSA-N 1 2 227.333 1.141 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032090053 643246034 /nfs/dbraw/zinc/24/60/34/643246034.db2.gz POALDKCPCOQRAM-RYUDHWBXSA-N 1 2 242.338 1.296 20 0 BDADLO COCC1=CC[N@H+](CN2CCSC2=O)CC1 ZINC000185035073 643262320 /nfs/dbraw/zinc/26/23/20/643262320.db2.gz BWCMNMZYBQCEDZ-UHFFFAOYSA-N 1 2 242.344 1.391 20 0 BDADLO COCC1=CC[N@@H+](CN2CCSC2=O)CC1 ZINC000185035073 643262325 /nfs/dbraw/zinc/26/23/25/643262325.db2.gz BWCMNMZYBQCEDZ-UHFFFAOYSA-N 1 2 242.344 1.391 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1conc1C ZINC001032234846 643377735 /nfs/dbraw/zinc/37/77/35/643377735.db2.gz LJRYTZUQYMTRON-RYUDHWBXSA-N 1 2 249.314 1.178 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1conc1C ZINC001032234846 643377741 /nfs/dbraw/zinc/37/77/41/643377741.db2.gz LJRYTZUQYMTRON-RYUDHWBXSA-N 1 2 249.314 1.178 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032238879 643385786 /nfs/dbraw/zinc/38/57/86/643385786.db2.gz ZUNCYYKGRQZRTI-ADLDAWLNSA-N 1 2 214.696 1.044 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001032238879 643385792 /nfs/dbraw/zinc/38/57/92/643385792.db2.gz ZUNCYYKGRQZRTI-ADLDAWLNSA-N 1 2 214.696 1.044 20 0 BDADLO O=C(C1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001032242107 643393766 /nfs/dbraw/zinc/39/37/66/643393766.db2.gz ITWYHKZTDAVFHW-QWXGVBKVSA-N 1 2 240.734 1.434 20 0 BDADLO O=C(C1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032242107 643393769 /nfs/dbraw/zinc/39/37/69/643393769.db2.gz ITWYHKZTDAVFHW-QWXGVBKVSA-N 1 2 240.734 1.434 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001032252315 643401597 /nfs/dbraw/zinc/40/15/97/643401597.db2.gz RWBNZJHKTIWHBR-UTSBZEJYSA-N 1 2 242.750 1.824 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001032252315 643401601 /nfs/dbraw/zinc/40/16/01/643401601.db2.gz RWBNZJHKTIWHBR-UTSBZEJYSA-N 1 2 242.750 1.824 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000891016178 643451309 /nfs/dbraw/zinc/45/13/09/643451309.db2.gz HIPBEWBVAXUIPQ-MWLCHTKSSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000307568969 643516474 /nfs/dbraw/zinc/51/64/74/643516474.db2.gz VCRKIUVANSAAQI-YUMQZZPRSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000307568969 643516483 /nfs/dbraw/zinc/51/64/83/643516483.db2.gz VCRKIUVANSAAQI-YUMQZZPRSA-N 1 2 224.131 1.901 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(CCF)c2)no1 ZINC000921594102 643612938 /nfs/dbraw/zinc/61/29/38/643612938.db2.gz YAVGWTAAMSTOHI-UHFFFAOYSA-N 1 2 238.266 1.439 20 0 BDADLO Cc1cc(C[N@H+](C)CCO[C@@H]2CCOC2)no1 ZINC000929258949 643834730 /nfs/dbraw/zinc/83/47/30/643834730.db2.gz KOCSFICUYHVKOB-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO Cc1cc(C[N@@H+](C)CCO[C@@H]2CCOC2)no1 ZINC000929258949 643834734 /nfs/dbraw/zinc/83/47/34/643834734.db2.gz KOCSFICUYHVKOB-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CC(C)([NH2+]Cc1cc[nH]c(=O)c1)C(F)F ZINC000922076722 643858994 /nfs/dbraw/zinc/85/89/94/643858994.db2.gz LDOWLKJLUPUOIQ-UHFFFAOYSA-N 1 2 216.231 1.921 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@]12CCCO2 ZINC000922301272 643961513 /nfs/dbraw/zinc/96/15/13/643961513.db2.gz AHHTZIIGODMQFH-YPMHNXCESA-N 1 2 249.314 1.101 20 0 BDADLO CSC[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922430723 643993317 /nfs/dbraw/zinc/99/33/17/643993317.db2.gz UAAXCIWJOAJZEP-QMMMGPOBSA-N 1 2 240.328 1.706 20 0 BDADLO C[C@@]1(C(=O)OCc2ccc(N)[nH+]c2)CCCO1 ZINC000922520146 644010942 /nfs/dbraw/zinc/01/09/42/644010942.db2.gz HOSWHXVIPYNEMK-LBPRGKRZSA-N 1 2 236.271 1.276 20 0 BDADLO CS[C@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922562765 644021494 /nfs/dbraw/zinc/02/14/94/644021494.db2.gz RQHXVNZKJACVOQ-MRVPVSSYSA-N 1 2 240.328 1.849 20 0 BDADLO COCc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2C)no1 ZINC000922554465 644022203 /nfs/dbraw/zinc/02/22/03/644022203.db2.gz KAPJQYPSQFXQBZ-JOYOIKCWSA-N 1 2 239.319 1.003 20 0 BDADLO COCc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)no1 ZINC000922554466 644022695 /nfs/dbraw/zinc/02/26/95/644022695.db2.gz KAPJQYPSQFXQBZ-SKDRFNHKSA-N 1 2 239.319 1.003 20 0 BDADLO Cn1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)nn1 ZINC000922586028 644035492 /nfs/dbraw/zinc/03/54/92/644035492.db2.gz JMVICPKZBLZRFP-CYBMUJFWSA-N 1 2 243.314 1.451 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000922591660 644038884 /nfs/dbraw/zinc/03/88/84/644038884.db2.gz ZQZOAJQDDKEOBD-IAZYJMLFSA-N 1 2 232.283 1.753 20 0 BDADLO COCC1(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922592151 644039809 /nfs/dbraw/zinc/03/98/09/644039809.db2.gz LUWBRUCARYEUHP-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO CC(=O)CCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922618704 644044308 /nfs/dbraw/zinc/04/43/08/644044308.db2.gz OCMAFOUTIWUFRI-UHFFFAOYSA-N 1 2 236.271 1.466 20 0 BDADLO CCn1cnnc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000922662202 644060753 /nfs/dbraw/zinc/06/07/53/644060753.db2.gz ZTWUSIOTCMUWQB-UHFFFAOYSA-N 1 2 220.280 1.250 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000922757601 644088050 /nfs/dbraw/zinc/08/80/50/644088050.db2.gz UXJAQCYNHZBSHZ-MNOVXSKESA-N 1 2 232.283 1.753 20 0 BDADLO C[C@H](C(=O)OCc1ccc[nH+]c1N)C(C)(F)F ZINC000922765587 644089608 /nfs/dbraw/zinc/08/96/08/644089608.db2.gz CQACEBOSAGZOFV-SSDOTTSWSA-N 1 2 244.241 1.998 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC1(Cl)Cl ZINC000192918738 644199870 /nfs/dbraw/zinc/19/98/70/644199870.db2.gz IJBKYLUIIKDNEW-ZETCQYMHSA-N 1 2 248.113 1.193 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cncc(O)c2)n1C ZINC000922976290 644205396 /nfs/dbraw/zinc/20/53/96/644205396.db2.gz ULIFJNXIVQKLTK-UHFFFAOYSA-N 1 2 232.287 1.119 20 0 BDADLO Oc1cncc(C[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000922976318 644208381 /nfs/dbraw/zinc/20/83/81/644208381.db2.gz VOQBTDIPKBAUPN-UHFFFAOYSA-N 1 2 244.298 1.608 20 0 BDADLO C[C@H](C(=O)OCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000923061838 644252791 /nfs/dbraw/zinc/25/27/91/644252791.db2.gz YLSWZYWWKKOSLT-QWRGUYRKSA-N 1 2 238.287 1.241 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)C1(C2CC2)CC1 ZINC001014847155 644291322 /nfs/dbraw/zinc/29/13/22/644291322.db2.gz IDHSBNVTJGJKFN-NSHDSACASA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)C1(C2CC2)CC1 ZINC001014847155 644291326 /nfs/dbraw/zinc/29/13/26/644291326.db2.gz IDHSBNVTJGJKFN-NSHDSACASA-N 1 2 240.322 1.337 20 0 BDADLO C/C=C(/C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000081750467 644341568 /nfs/dbraw/zinc/34/15/68/644341568.db2.gz DTIWYBXXVVRHIE-XAPDAFRNSA-N 1 2 240.347 1.178 20 0 BDADLO CC[C@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494206 644443030 /nfs/dbraw/zinc/44/30/30/644443030.db2.gz METZOKYPRXQIMF-RKDXNWHRSA-N 1 2 217.309 1.077 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000088511908 644522149 /nfs/dbraw/zinc/52/21/49/644522149.db2.gz WZNRSFNNZCRBJR-NSHDSACASA-N 1 2 236.315 1.943 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)[C@H](C)C1 ZINC000946933216 644527336 /nfs/dbraw/zinc/52/73/36/644527336.db2.gz SNTWAACDEWDLHW-MWLCHTKSSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)[C@H](C)C1 ZINC000946933216 644527340 /nfs/dbraw/zinc/52/73/40/644527340.db2.gz SNTWAACDEWDLHW-MWLCHTKSSA-N 1 2 237.303 1.164 20 0 BDADLO CCCC[N@H+](CCOC)Cc1cnn(CC)n1 ZINC000838825166 644545034 /nfs/dbraw/zinc/54/50/34/644545034.db2.gz BUHKSQBYYDSNRD-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1cnn(CC)n1 ZINC000838825166 644545040 /nfs/dbraw/zinc/54/50/40/644545040.db2.gz BUHKSQBYYDSNRD-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CO[C@@H](C)CC(=O)NCCCCn1cc[nH+]c1 ZINC000749735481 644594973 /nfs/dbraw/zinc/59/49/73/644594973.db2.gz CZDAFVDCSLUIAW-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H]2CCOC2=O)CCS1 ZINC000247541366 644644732 /nfs/dbraw/zinc/64/47/32/644644732.db2.gz PDNPFFUUWSTCJK-IUCAKERBSA-N 1 2 215.318 1.129 20 0 BDADLO CC[C@H]1C[N@H+]([C@H]2CCOC2=O)CCS1 ZINC000247541366 644644739 /nfs/dbraw/zinc/64/47/39/644644739.db2.gz PDNPFFUUWSTCJK-IUCAKERBSA-N 1 2 215.318 1.129 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000766846653 644671318 /nfs/dbraw/zinc/67/13/18/644671318.db2.gz ZFNPRZGOVHTEDN-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)[C@@H]1CCCNC1=O ZINC000766846653 644671324 /nfs/dbraw/zinc/67/13/24/644671324.db2.gz ZFNPRZGOVHTEDN-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)CCOCC ZINC000093314586 644686109 /nfs/dbraw/zinc/68/61/09/644686109.db2.gz ZRJYZRGQPIXJLE-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)CCOCC ZINC000093314586 644686112 /nfs/dbraw/zinc/68/61/12/644686112.db2.gz ZRJYZRGQPIXJLE-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC=CO1 ZINC000248830251 644699108 /nfs/dbraw/zinc/69/91/08/644699108.db2.gz HEUDVGIXRSMDAE-VXGBXAGGSA-N 1 2 241.331 1.951 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000248830251 644699114 /nfs/dbraw/zinc/69/91/14/644699114.db2.gz HEUDVGIXRSMDAE-VXGBXAGGSA-N 1 2 241.331 1.951 20 0 BDADLO CO[C@@H]1C[N@H+](Cn2cc(Cl)cn2)CC[C@@H]1C ZINC000249835926 644741753 /nfs/dbraw/zinc/74/17/53/644741753.db2.gz MVALDOQSLAOIJA-GXSJLCMTSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@@H]1C[N@@H+](Cn2cc(Cl)cn2)CC[C@@H]1C ZINC000249835926 644741759 /nfs/dbraw/zinc/74/17/59/644741759.db2.gz MVALDOQSLAOIJA-GXSJLCMTSA-N 1 2 243.738 1.851 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000793239822 644801350 /nfs/dbraw/zinc/80/13/50/644801350.db2.gz VFIMKHUJNCXULX-MNOVXSKESA-N 1 2 236.315 1.942 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CC1(C)C ZINC000793243064 644802130 /nfs/dbraw/zinc/80/21/30/644802130.db2.gz RHHCSRJTNKUUSU-SNVBAGLBSA-N 1 2 222.288 1.552 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc[nH]1 ZINC000807171628 644861591 /nfs/dbraw/zinc/86/15/91/644861591.db2.gz VMTTYYKZDPKNHX-VIFPVBQESA-N 1 2 232.287 1.548 20 0 BDADLO Cn1cnn(C[NH+]2CCCCCCCC2)c1=O ZINC000840132592 644876004 /nfs/dbraw/zinc/87/60/04/644876004.db2.gz CLOIFCUAENHJMQ-UHFFFAOYSA-N 1 2 238.335 1.196 20 0 BDADLO CC(C)OCC[N@@H+]1Cc2ccncc2C1 ZINC000809564953 644891089 /nfs/dbraw/zinc/89/10/89/644891089.db2.gz OBJOTZQLGBBTAA-UHFFFAOYSA-N 1 2 206.289 1.822 20 0 BDADLO CC(C)OCC[N@H+]1Cc2ccncc2C1 ZINC000809564953 644891092 /nfs/dbraw/zinc/89/10/92/644891092.db2.gz OBJOTZQLGBBTAA-UHFFFAOYSA-N 1 2 206.289 1.822 20 0 BDADLO Cc1nc(N2CCCCCCC2)nc(N)[nH+]1 ZINC000304448229 644909408 /nfs/dbraw/zinc/90/94/08/644909408.db2.gz JMBPLLCIJGMLIN-UHFFFAOYSA-N 1 2 221.308 1.533 20 0 BDADLO CO[C@@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459207 644983293 /nfs/dbraw/zinc/98/32/93/644983293.db2.gz SGTIKXPWDDUXMF-NSHDSACASA-N 1 2 236.315 1.740 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/[C@H]1CCCO1 ZINC000819111302 645004914 /nfs/dbraw/zinc/00/49/14/645004914.db2.gz NSNYZXJFXHZEGR-GKUNOOHESA-N 1 2 249.314 1.123 20 0 BDADLO CCCCC[C@@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000823232742 645045090 /nfs/dbraw/zinc/04/50/90/645045090.db2.gz FMERABQXZQKVKM-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO Cn1cc(Cl)cc1C[N@H+](C)CC[S@](C)=O ZINC000828040569 645091648 /nfs/dbraw/zinc/09/16/48/645091648.db2.gz JKCHLCHWKYIEFY-HNNXBMFYSA-N 1 2 248.779 1.489 20 0 BDADLO Cn1cc(Cl)cc1C[N@@H+](C)CC[S@](C)=O ZINC000828040569 645091652 /nfs/dbraw/zinc/09/16/52/645091652.db2.gz JKCHLCHWKYIEFY-HNNXBMFYSA-N 1 2 248.779 1.489 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](CF)C1 ZINC000829230245 645107440 /nfs/dbraw/zinc/10/74/40/645107440.db2.gz AKCBHQIORNCFSF-SECBINFHSA-N 1 2 247.273 1.995 20 0 BDADLO COC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000829499487 645108580 /nfs/dbraw/zinc/10/85/80/645108580.db2.gz RXZZQNQEAFJGKN-SECBINFHSA-N 1 2 249.270 1.049 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)n2)cn1 ZINC000926539749 645262733 /nfs/dbraw/zinc/26/27/33/645262733.db2.gz AHVHOFNUQXBQSI-ZJUUUORDSA-N 1 2 248.334 1.443 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000926631833 645323486 /nfs/dbraw/zinc/32/34/86/645323486.db2.gz VDJYMXUDQRUSBG-VIFPVBQESA-N 1 2 247.298 1.721 20 0 BDADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC=CC1 ZINC000845563685 645366540 /nfs/dbraw/zinc/36/65/40/645366540.db2.gz YBMQLJYXSLRMMQ-UHFFFAOYSA-N 1 2 243.314 1.958 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1nonc1C ZINC000926727899 645383273 /nfs/dbraw/zinc/38/32/73/645383273.db2.gz PDIKLDAQNALJMC-YNEQXMIYSA-N 1 2 211.265 1.206 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cccnc1C ZINC000926760999 645409651 /nfs/dbraw/zinc/40/96/51/645409651.db2.gz PZZDJXCNUQKUDW-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Fc1ccc([C@H]2CC[N@@H+]2CC2OCCO2)cc1 ZINC000852469563 645485748 /nfs/dbraw/zinc/48/57/48/645485748.db2.gz WGORJXVQZJYZJE-GFCCVEGCSA-N 1 2 237.274 1.945 20 0 BDADLO Fc1ccc([C@H]2CC[N@H+]2CC2OCCO2)cc1 ZINC000852469563 645485754 /nfs/dbraw/zinc/48/57/54/645485754.db2.gz WGORJXVQZJYZJE-GFCCVEGCSA-N 1 2 237.274 1.945 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1Cc2ccccc2CO1 ZINC000857507229 645583166 /nfs/dbraw/zinc/58/31/66/645583166.db2.gz CTAKRQCFZJUULL-UHFFFAOYSA-N 1 2 243.266 1.426 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@]12C[C@H]1CCCC2 ZINC000927437165 645613502 /nfs/dbraw/zinc/61/35/02/645613502.db2.gz SFLXXGRGCQJYMA-RISCZKNCSA-N 1 2 247.342 1.957 20 0 BDADLO CC(C)(C)/C=C\C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777587 645652436 /nfs/dbraw/zinc/65/24/36/645652436.db2.gz BRRWSCAOOPZEBZ-SREVYHEPSA-N 1 2 233.315 1.882 20 0 BDADLO Nc1ccc(CNC(=O)[C@H]2CC23CCCC3)c[nH+]1 ZINC000927777955 645655202 /nfs/dbraw/zinc/65/52/02/645655202.db2.gz FAFZIQVNHYMYNO-LLVKDONJSA-N 1 2 245.326 1.860 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000927778176 645655267 /nfs/dbraw/zinc/65/52/67/645655267.db2.gz UBYRBLKOZIMRSW-GHMZBOCLSA-N 1 2 249.314 1.095 20 0 BDADLO Nc1ccc(CNC(=O)C2(C3CC3)CCC2)c[nH+]1 ZINC000927777758 645655839 /nfs/dbraw/zinc/65/58/39/645655839.db2.gz NCSXLAHYZITDRL-UHFFFAOYSA-N 1 2 245.326 1.860 20 0 BDADLO COc1cnc(F)c(C[NH2+]CCF)c1 ZINC000877496647 645798790 /nfs/dbraw/zinc/79/87/90/645798790.db2.gz VOEWQQDQODMLBK-UHFFFAOYSA-N 1 2 202.204 1.288 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)C2)c(C)nn1 ZINC000929118861 645951833 /nfs/dbraw/zinc/95/18/33/645951833.db2.gz UYWQPTFSBXHWBB-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)C2)c(C)nn1 ZINC000929118861 645951836 /nfs/dbraw/zinc/95/18/36/645951836.db2.gz UYWQPTFSBXHWBB-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO C(C[NH+]1CCOCC1)OC1CCSCC1 ZINC000929126786 645959806 /nfs/dbraw/zinc/95/98/06/645959806.db2.gz WVOSXRILRKLMSQ-UHFFFAOYSA-N 1 2 231.361 1.231 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)c(C)nn1 ZINC000929132696 645963685 /nfs/dbraw/zinc/96/36/85/645963685.db2.gz JDDJIFNKPCVXFR-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2)c(C)nn1 ZINC000929132696 645963690 /nfs/dbraw/zinc/96/36/90/645963690.db2.gz JDDJIFNKPCVXFR-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(C(C)(C)C)no2)O1 ZINC000923969573 645967122 /nfs/dbraw/zinc/96/71/22/645967122.db2.gz HXGHUYDJTZFPFY-BDAKNGLRSA-N 1 2 239.319 1.759 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(C(C)(C)C)no2)O1 ZINC000923969573 645967128 /nfs/dbraw/zinc/96/71/28/645967128.db2.gz HXGHUYDJTZFPFY-BDAKNGLRSA-N 1 2 239.319 1.759 20 0 BDADLO CN(C)c1noc([C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000923969558 645967272 /nfs/dbraw/zinc/96/72/72/645967272.db2.gz HRHDBVIOEZVQHA-JTQLQIEISA-N 1 2 236.319 1.825 20 0 BDADLO CN(C)c1noc([C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000923969558 645967280 /nfs/dbraw/zinc/96/72/80/645967280.db2.gz HRHDBVIOEZVQHA-JTQLQIEISA-N 1 2 236.319 1.825 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000929182733 645991774 /nfs/dbraw/zinc/99/17/74/645991774.db2.gz PLTMTHKEQDKEAS-NVIAFKCQSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000929182733 645991778 /nfs/dbraw/zinc/99/17/78/645991778.db2.gz PLTMTHKEQDKEAS-NVIAFKCQSA-N 1 2 227.304 1.215 20 0 BDADLO CON1CC[C@@H]([N@H+](C)Cc2ccc(C)o2)C1=O ZINC000929213629 646009448 /nfs/dbraw/zinc/00/94/48/646009448.db2.gz NTVWGTUDSYACEC-LLVKDONJSA-N 1 2 238.287 1.182 20 0 BDADLO CON1CC[C@@H]([N@@H+](C)Cc2ccc(C)o2)C1=O ZINC000929213629 646009451 /nfs/dbraw/zinc/00/94/51/646009451.db2.gz NTVWGTUDSYACEC-LLVKDONJSA-N 1 2 238.287 1.182 20 0 BDADLO c1nnc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)s1 ZINC000929266606 646037882 /nfs/dbraw/zinc/03/78/82/646037882.db2.gz OSORXLOVNJOEQN-VIFPVBQESA-N 1 2 239.344 1.539 20 0 BDADLO c1nnc(C[N@H+](C[C@@H]2CCOC2)C2CC2)s1 ZINC000929266606 646037889 /nfs/dbraw/zinc/03/78/89/646037889.db2.gz OSORXLOVNJOEQN-VIFPVBQESA-N 1 2 239.344 1.539 20 0 BDADLO Cc1csc(C[NH2+][C@H](C)c2cnnn2C)n1 ZINC000924614865 646078937 /nfs/dbraw/zinc/07/89/37/646078937.db2.gz JVDSHMFOROVMFZ-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@@H]1CCN(OC)C1=O ZINC000929477838 646133740 /nfs/dbraw/zinc/13/37/40/646133740.db2.gz IDEANXHKFCFEHP-LLVKDONJSA-N 1 2 238.287 1.264 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@@H]1CCN(OC)C1=O ZINC000929477838 646133748 /nfs/dbraw/zinc/13/37/48/646133748.db2.gz IDEANXHKFCFEHP-LLVKDONJSA-N 1 2 238.287 1.264 20 0 BDADLO COc1nnc(C[N@@H+]2CCCC2(C)C)s1 ZINC000929505539 646156050 /nfs/dbraw/zinc/15/60/50/646156050.db2.gz QPIFUJXQYXVMDS-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO COc1nnc(C[N@H+]2CCCC2(C)C)s1 ZINC000929505539 646156055 /nfs/dbraw/zinc/15/60/55/646156055.db2.gz QPIFUJXQYXVMDS-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO CC[N@H+](C/C=C(/C)COC)CC(=O)OC ZINC000929505980 646156419 /nfs/dbraw/zinc/15/64/19/646156419.db2.gz XIUMZMXOZNROMO-POHAHGRESA-N 1 2 215.293 1.074 20 0 BDADLO CC[N@@H+](C/C=C(/C)COC)CC(=O)OC ZINC000929505980 646156424 /nfs/dbraw/zinc/15/64/24/646156424.db2.gz XIUMZMXOZNROMO-POHAHGRESA-N 1 2 215.293 1.074 20 0 BDADLO COC(=O)C1([NH2+]CCOC2CC2)CCCCC1 ZINC000929670157 646232885 /nfs/dbraw/zinc/23/28/85/646232885.db2.gz NRXSZZHSUDHHGJ-UHFFFAOYSA-N 1 2 241.331 1.631 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)C(C)(C)CO ZINC000929674647 646235250 /nfs/dbraw/zinc/23/52/50/646235250.db2.gz PEIGAFBYWNGEIQ-UHFFFAOYSA-N 1 2 230.258 1.563 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)C(C)(C)CO ZINC000929674647 646235257 /nfs/dbraw/zinc/23/52/57/646235257.db2.gz PEIGAFBYWNGEIQ-UHFFFAOYSA-N 1 2 230.258 1.563 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCOC1CC1 ZINC000929678690 646237409 /nfs/dbraw/zinc/23/74/09/646237409.db2.gz FECMTHLYINCMKH-IQMDTDKHSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCOC1CC1 ZINC000929678690 646237418 /nfs/dbraw/zinc/23/74/18/646237418.db2.gz FECMTHLYINCMKH-IQMDTDKHSA-N 1 2 231.361 1.007 20 0 BDADLO CN1CC[N@H+](CCCC(C)(F)F)CC1=O ZINC000929695000 646248788 /nfs/dbraw/zinc/24/87/88/646248788.db2.gz KPROUJITAGLMJG-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CN1CC[N@@H+](CCCC(C)(F)F)CC1=O ZINC000929695000 646248802 /nfs/dbraw/zinc/24/88/02/646248802.db2.gz KPROUJITAGLMJG-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)nn1 ZINC000929759021 646291737 /nfs/dbraw/zinc/29/17/37/646291737.db2.gz HXMFICJUXSUVHC-BETUJISGSA-N 1 2 233.315 1.457 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)nn1 ZINC000929759021 646291741 /nfs/dbraw/zinc/29/17/41/646291741.db2.gz HXMFICJUXSUVHC-BETUJISGSA-N 1 2 233.315 1.457 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nncs1 ZINC000929832283 646349457 /nfs/dbraw/zinc/34/94/57/646349457.db2.gz SMWPOBAIVCVISI-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nncs1 ZINC000929832283 646349462 /nfs/dbraw/zinc/34/94/62/646349462.db2.gz SMWPOBAIVCVISI-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)on1 ZINC000925636613 646379649 /nfs/dbraw/zinc/37/96/49/646379649.db2.gz YVEIUXIFQPMBJF-JGVFFNPUSA-N 1 2 236.275 1.818 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000930129631 646451293 /nfs/dbraw/zinc/45/12/93/646451293.db2.gz ABHAWZNMKLTBMV-AAOUONPWSA-N 1 2 239.315 1.217 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000930129631 646451298 /nfs/dbraw/zinc/45/12/98/646451298.db2.gz ABHAWZNMKLTBMV-AAOUONPWSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCOC2(CCC2)C1 ZINC000930141792 646457015 /nfs/dbraw/zinc/45/70/15/646457015.db2.gz FMBLUNMELJANMH-DHZHZOJOSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCOC2(CCC2)C1 ZINC000930141792 646457022 /nfs/dbraw/zinc/45/70/22/646457022.db2.gz FMBLUNMELJANMH-DHZHZOJOSA-N 1 2 239.315 1.361 20 0 BDADLO C[C@@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)C[C@H]1O ZINC000930164111 646469123 /nfs/dbraw/zinc/46/91/23/646469123.db2.gz WMDCGMYQSHLBCI-MWLCHTKSSA-N 1 2 238.331 1.785 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)C[C@H]1O ZINC000930164111 646469125 /nfs/dbraw/zinc/46/91/25/646469125.db2.gz WMDCGMYQSHLBCI-MWLCHTKSSA-N 1 2 238.331 1.785 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000926162887 646586800 /nfs/dbraw/zinc/58/68/00/646586800.db2.gz YWCOZGNLGXICHH-ZETCQYMHSA-N 1 2 241.291 1.180 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cncn2C)on1 ZINC000926442535 646639455 /nfs/dbraw/zinc/63/94/55/646639455.db2.gz JDCBMPQNHZDMKQ-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO CC(C)(C)c1coc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000724412121 711578733 /nfs/dbraw/zinc/57/87/33/711578733.db2.gz CRQHVXMRIHAOGC-SNVBAGLBSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1coc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000724412121 711578735 /nfs/dbraw/zinc/57/87/35/711578735.db2.gz CRQHVXMRIHAOGC-SNVBAGLBSA-N 1 2 238.331 1.929 20 0 BDADLO Cc1cnc(NC(=O)C[C@@H]([NH3+])C(F)F)s1 ZINC000724750877 711610710 /nfs/dbraw/zinc/61/07/10/711610710.db2.gz HMACZWRYOYJDFQ-RXMQYKEDSA-N 1 2 235.259 1.373 20 0 BDADLO CN(C(=O)C(C)(F)F)C1C[NH+](CCCF)C1 ZINC001042406978 711821114 /nfs/dbraw/zinc/82/11/14/711821114.db2.gz OLLCQRLCHWZOOO-UHFFFAOYSA-N 1 2 238.253 1.144 20 0 BDADLO CN(C(=O)c1ccco1)[C@@H]1CC[N@H+](CCF)C1 ZINC001032871693 711965516 /nfs/dbraw/zinc/96/55/16/711965516.db2.gz GEOGSAAPWNHLBZ-SNVBAGLBSA-N 1 2 240.278 1.395 20 0 BDADLO CN(C(=O)c1ccco1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032871693 711965519 /nfs/dbraw/zinc/96/55/19/711965519.db2.gz GEOGSAAPWNHLBZ-SNVBAGLBSA-N 1 2 240.278 1.395 20 0 BDADLO CC(F)(F)C[NH2+]C[C@](C)(O)C(F)F ZINC000704793552 712117489 /nfs/dbraw/zinc/11/74/89/712117489.db2.gz HWKAIHKSRLKZJQ-LURJTMIESA-N 1 2 203.179 1.247 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166959 712141625 /nfs/dbraw/zinc/14/16/25/712141625.db2.gz MGSDNIKDOIHGTN-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166959 712141626 /nfs/dbraw/zinc/14/16/26/712141626.db2.gz MGSDNIKDOIHGTN-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)C(=O)OC(C)(C)C ZINC000707504881 712170936 /nfs/dbraw/zinc/17/09/36/712170936.db2.gz FKSVAIREUIKULF-BBBLOLIVSA-N 1 2 229.320 1.077 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+]Cc1nnc(C)s1 ZINC000710959743 712268586 /nfs/dbraw/zinc/26/85/86/712268586.db2.gz LSWGGVSVYZJFHS-QMMMGPOBSA-N 1 2 243.332 1.088 20 0 BDADLO C=C/C=C\CCNc1nc(C)[nH+]c(N)n1 ZINC000713471888 712461131 /nfs/dbraw/zinc/46/11/31/712461131.db2.gz PZSZTGYGWUYCMM-PLNGDYQASA-N 1 2 205.265 1.306 20 0 BDADLO C=C/C=C\CCNc1nc(N)nc(C)[nH+]1 ZINC000713471888 712461132 /nfs/dbraw/zinc/46/11/32/712461132.db2.gz PZSZTGYGWUYCMM-PLNGDYQASA-N 1 2 205.265 1.306 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CCC(C)(C)CO1 ZINC000713562537 712464773 /nfs/dbraw/zinc/46/47/73/712464773.db2.gz UKOINPDFGMGYPZ-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715412607 712517878 /nfs/dbraw/zinc/51/78/78/712517878.db2.gz HGNQPFVHBWYKTH-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715412607 712517881 /nfs/dbraw/zinc/51/78/81/712517881.db2.gz HGNQPFVHBWYKTH-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO OC[C@H]([NH2+]Cc1nnsc1Cl)C1CC1 ZINC000389324289 712688971 /nfs/dbraw/zinc/68/89/71/712688971.db2.gz SMTAIRQYSHGQJB-ZETCQYMHSA-N 1 2 233.724 1.052 20 0 BDADLO CO[C@@]1(C[NH2+]Cc2cn[nH]c2C)CCSC1 ZINC000719266273 712802060 /nfs/dbraw/zinc/80/20/60/712802060.db2.gz AFNFNFPYAKYREP-LLVKDONJSA-N 1 2 241.360 1.330 20 0 BDADLO CN1C(=O)C2(CCCC2)[NH2+][C@]12CCCSC2 ZINC000381149945 710604772 /nfs/dbraw/zinc/60/47/72/710604772.db2.gz AIOXTXLCZYWFCC-GFCCVEGCSA-N 1 2 240.372 1.584 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)N(C)OC)c1nccs1 ZINC000381353220 710626257 /nfs/dbraw/zinc/62/62/57/710626257.db2.gz CHPMSRQWGZJTAM-MRVPVSSYSA-N 1 2 243.332 1.204 20 0 BDADLO CSC[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381572335 710656202 /nfs/dbraw/zinc/65/62/02/710656202.db2.gz WMIANRKXEPEXCK-MRVPVSSYSA-N 1 2 240.328 1.536 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001038598716 710696872 /nfs/dbraw/zinc/69/68/72/710696872.db2.gz XLCAKBQJJMMTDO-QKGTVUHQSA-N 1 2 242.750 1.585 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001038598716 710696876 /nfs/dbraw/zinc/69/68/76/710696876.db2.gz XLCAKBQJJMMTDO-QKGTVUHQSA-N 1 2 242.750 1.585 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001042620852 710794025 /nfs/dbraw/zinc/79/40/25/710794025.db2.gz XILARTSVOADGDQ-UHFFFAOYSA-N 1 2 236.315 1.673 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)c2ccns2)C1 ZINC001042822160 710799923 /nfs/dbraw/zinc/79/99/23/710799923.db2.gz MMRUQBBXOJIHCD-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001043960396 710816130 /nfs/dbraw/zinc/81/61/30/710816130.db2.gz RTWMDRPNKDUHAZ-UHFFFAOYSA-N 1 2 248.330 1.063 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ncoc2C2CC2)C1 ZINC001044142859 710820071 /nfs/dbraw/zinc/82/00/71/710820071.db2.gz RYYJILTYJJXCNA-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)nc[nH+]1 ZINC000384554723 710918641 /nfs/dbraw/zinc/91/86/41/710918641.db2.gz GTLIPKDJJYPZSF-DJLDLDEBSA-N 1 2 222.292 1.496 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)[nH+]cn1 ZINC000384554723 710918644 /nfs/dbraw/zinc/91/86/44/710918644.db2.gz GTLIPKDJJYPZSF-DJLDLDEBSA-N 1 2 222.292 1.496 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCCC1 ZINC001050795598 710956455 /nfs/dbraw/zinc/95/64/55/710956455.db2.gz RLLFJCPBBXGWNW-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCCC1 ZINC001050795598 710956461 /nfs/dbraw/zinc/95/64/61/710956461.db2.gz RLLFJCPBBXGWNW-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(F)c(C)c2)C1 ZINC000383142618 710977326 /nfs/dbraw/zinc/97/73/26/710977326.db2.gz XXFIVCUXGYZEGD-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCC(C)(C)SC ZINC000385228238 711009074 /nfs/dbraw/zinc/00/90/74/711009074.db2.gz NCFDYFWGWJVAQV-MRVPVSSYSA-N 1 2 219.350 1.669 20 0 BDADLO Cn1c[nH+]cc1CNc1cccnc1[N+](=O)[O-] ZINC000388416849 711061414 /nfs/dbraw/zinc/06/14/14/711061414.db2.gz FNXRQDKHWCDZQU-UHFFFAOYSA-N 1 2 233.231 1.335 20 0 BDADLO CC1(C)C[N@H+](C/C=C\Cl)C[C@H](CO)O1 ZINC000389159418 711071959 /nfs/dbraw/zinc/07/19/59/711071959.db2.gz OKGTXQKDBMUPCE-ZBJFTSOASA-N 1 2 219.712 1.211 20 0 BDADLO CC1(C)C[N@@H+](C/C=C\Cl)C[C@H](CO)O1 ZINC000389159418 711071961 /nfs/dbraw/zinc/07/19/61/711071961.db2.gz OKGTXQKDBMUPCE-ZBJFTSOASA-N 1 2 219.712 1.211 20 0 BDADLO CCCC[N@H+](C)Cn1ccsc1=O ZINC000393553484 711163318 /nfs/dbraw/zinc/16/33/18/711163318.db2.gz KNTDTIPRJJBHRU-UHFFFAOYSA-N 1 2 200.307 1.599 20 0 BDADLO CCCC[N@@H+](C)Cn1ccsc1=O ZINC000393553484 711163321 /nfs/dbraw/zinc/16/33/21/711163321.db2.gz KNTDTIPRJJBHRU-UHFFFAOYSA-N 1 2 200.307 1.599 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000395082255 711201426 /nfs/dbraw/zinc/20/14/26/711201426.db2.gz AXTSGLCDGWBLFH-QJPTWQEYSA-N 1 2 245.363 1.835 20 0 BDADLO Cc1ccc(N)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000395448506 711211286 /nfs/dbraw/zinc/21/12/86/711211286.db2.gz STYLLNYCDHAUOQ-UHFFFAOYSA-N 1 2 245.282 1.631 20 0 BDADLO CCCNc1cc(NCc2ncoc2C)nc[nH+]1 ZINC000397969104 711398545 /nfs/dbraw/zinc/39/85/45/711398545.db2.gz ZOCMFZRXHOXBTJ-UHFFFAOYSA-N 1 2 247.302 1.629 20 0 BDADLO CCCNc1cc(NCc2ncoc2C)[nH+]cn1 ZINC000397969104 711398547 /nfs/dbraw/zinc/39/85/47/711398547.db2.gz ZOCMFZRXHOXBTJ-UHFFFAOYSA-N 1 2 247.302 1.629 20 0 BDADLO CNc1cc(N[C@@H](C)CCCCO)[nH+]cn1 ZINC000398444475 711411330 /nfs/dbraw/zinc/41/13/30/711411330.db2.gz XSELCIKHLVRYJC-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO C[C@@H](C(=O)NCc1ccc(N)[nH+]c1)C(C)(C)C ZINC000399155862 711423280 /nfs/dbraw/zinc/42/32/80/711423280.db2.gz JABVXTKQLJBXDG-VIFPVBQESA-N 1 2 235.331 1.793 20 0 BDADLO CC[NH2+]Cc1noc(CCC2CCC2)n1 ZINC000381824811 710723183 /nfs/dbraw/zinc/72/31/83/710723183.db2.gz LVIIXFDDKCMFNC-UHFFFAOYSA-N 1 2 209.293 1.912 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000386009117 711021357 /nfs/dbraw/zinc/02/13/57/711021357.db2.gz PITDLETYSYMFGL-SECBINFHSA-N 1 2 207.264 1.733 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000386009117 711021363 /nfs/dbraw/zinc/02/13/63/711021363.db2.gz PITDLETYSYMFGL-SECBINFHSA-N 1 2 207.264 1.733 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnccc2C)[nH]1 ZINC000392494701 711149016 /nfs/dbraw/zinc/14/90/16/711149016.db2.gz ZCEULKDINVSOPD-VIFPVBQESA-N 1 2 231.303 1.667 20 0 BDADLO Cc1cc(C)c(CNC(=O)C(F)F)c[nH+]1 ZINC000397101101 711376926 /nfs/dbraw/zinc/37/69/26/711376926.db2.gz PKIVFNNCRQPASV-UHFFFAOYSA-N 1 2 214.215 1.580 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000399946737 711437445 /nfs/dbraw/zinc/43/74/45/711437445.db2.gz UNDTYRNJYURDNH-MWLCHTKSSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000399946737 711437449 /nfs/dbraw/zinc/43/74/49/711437449.db2.gz UNDTYRNJYURDNH-MWLCHTKSSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000252660656 711448902 /nfs/dbraw/zinc/44/89/02/711448902.db2.gz BNPWFUWFOPPLRY-WCQGTBRESA-N 1 2 243.347 1.589 20 0 BDADLO CCC[C@H](C[NH2+][C@H](C(=O)OC)[C@H](C)CC)OC ZINC000385978380 711478483 /nfs/dbraw/zinc/47/84/83/711478483.db2.gz CLEARIATZNTEHI-UTUOFQBUSA-N 1 2 245.363 1.979 20 0 BDADLO Cn1c[nH+]cc1CSc1nc(CO)cs1 ZINC000723384266 711509599 /nfs/dbraw/zinc/50/95/99/711509599.db2.gz CNVJYHRDKNDVSX-UHFFFAOYSA-N 1 2 241.341 1.661 20 0 BDADLO Cc1cnc(CNc2nc(C)[nH+]c(N)n2)c(C)c1 ZINC000723711354 711535727 /nfs/dbraw/zinc/53/57/27/711535727.db2.gz UOPZLZULCHWRAP-UHFFFAOYSA-N 1 2 244.302 1.386 20 0 BDADLO Cc1cnc(CNc2nc(N)nc(C)[nH+]2)c(C)c1 ZINC000723711354 711535728 /nfs/dbraw/zinc/53/57/28/711535728.db2.gz UOPZLZULCHWRAP-UHFFFAOYSA-N 1 2 244.302 1.386 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)s1 ZINC000934576014 711595253 /nfs/dbraw/zinc/59/52/53/711595253.db2.gz PVJYZPOQVOGOGA-VHSXEESVSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)s1 ZINC000934576014 711595256 /nfs/dbraw/zinc/59/52/56/711595256.db2.gz PVJYZPOQVOGOGA-VHSXEESVSA-N 1 2 244.335 1.665 20 0 BDADLO CCOC(=O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724684129 711608798 /nfs/dbraw/zinc/60/87/98/711608798.db2.gz RCPLPWMUQUDIBS-UHFFFAOYSA-N 1 2 229.295 1.764 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[C@@H]([NH3+])C(F)F ZINC000724751245 711610574 /nfs/dbraw/zinc/61/05/74/711610574.db2.gz JIENOWDQDISUDW-IWSPIJDZSA-N 1 2 234.290 1.758 20 0 BDADLO Cc1nc(N[C@@H]2CC23CC(O)C3)cc[nH+]1 ZINC000724963594 711638395 /nfs/dbraw/zinc/63/83/95/711638395.db2.gz XWLHDLSGEAOBAK-INWMGODYSA-N 1 2 205.261 1.110 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1Cc2ccccc21 ZINC000335196633 711722245 /nfs/dbraw/zinc/72/22/45/711722245.db2.gz WGSYITMQJNFTFQ-ZDUSSCGKSA-N 1 2 241.294 1.376 20 0 BDADLO CNc1cc(NC[C@@H]2CC[C@H](C3CC3)O2)[nH+]cn1 ZINC000722329533 711737751 /nfs/dbraw/zinc/73/77/51/711737751.db2.gz OOMKPDSFKGOSOM-WDEREUQCSA-N 1 2 248.330 1.888 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2occc2C)C1 ZINC001042478966 711769866 /nfs/dbraw/zinc/76/98/66/711769866.db2.gz BIAATZWOCALYGB-UHFFFAOYSA-N 1 2 222.288 1.364 20 0 BDADLO CC(C)OC[C@@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000895723727 711781373 /nfs/dbraw/zinc/78/13/73/711781373.db2.gz BNHVQVBGKBIMJY-SSDOTTSWSA-N 1 2 249.261 1.910 20 0 BDADLO CC(C)(O)[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000721870933 711792887 /nfs/dbraw/zinc/79/28/87/711792887.db2.gz AGVHKOAQDBABER-NSHDSACASA-N 1 2 236.315 1.171 20 0 BDADLO CCC(=O)NC1C[NH+](CCOc2ccccc2)C1 ZINC001030037805 711825925 /nfs/dbraw/zinc/82/59/25/711825925.db2.gz YBRHWZHQJROFNV-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H](F)C1 ZINC000701906339 712031985 /nfs/dbraw/zinc/03/19/85/712031985.db2.gz ZZQUPGTUWSTWFN-HYHWUIIZSA-N 1 2 215.268 1.540 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@H](F)C1 ZINC000701906339 712031987 /nfs/dbraw/zinc/03/19/87/712031987.db2.gz ZZQUPGTUWSTWFN-HYHWUIIZSA-N 1 2 215.268 1.540 20 0 BDADLO FCCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000702655334 712058791 /nfs/dbraw/zinc/05/87/91/712058791.db2.gz WHZOWSLLYIVNKB-JTQLQIEISA-N 1 2 227.283 1.363 20 0 BDADLO CC(C)c1cnc(C[N@@H+](C)C[C@@H](C)O)o1 ZINC000709320160 712219713 /nfs/dbraw/zinc/21/97/13/712219713.db2.gz PQNHOKODJRRUHE-SECBINFHSA-N 1 2 212.293 1.611 20 0 BDADLO CC(C)c1cnc(C[N@H+](C)C[C@@H](C)O)o1 ZINC000709320160 712219714 /nfs/dbraw/zinc/21/97/14/712219714.db2.gz PQNHOKODJRRUHE-SECBINFHSA-N 1 2 212.293 1.611 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710054001 712243838 /nfs/dbraw/zinc/24/38/38/712243838.db2.gz KWHQSYQSOYPICX-ONGXEEELSA-N 1 2 245.330 1.930 20 0 BDADLO CC[C@]1(O)CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000710270448 712250437 /nfs/dbraw/zinc/25/04/37/712250437.db2.gz WHFYJHDMHMJNFV-LBPRGKRZSA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@]1(O)CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000710270448 712250439 /nfs/dbraw/zinc/25/04/39/712250439.db2.gz WHFYJHDMHMJNFV-LBPRGKRZSA-N 1 2 236.319 1.260 20 0 BDADLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000711302007 712293654 /nfs/dbraw/zinc/29/36/54/712293654.db2.gz KWBDUJYJEBELRD-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000711302007 712293655 /nfs/dbraw/zinc/29/36/55/712293655.db2.gz KWBDUJYJEBELRD-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](OC)C23CCC3)nc[nH+]1 ZINC000713111142 712452969 /nfs/dbraw/zinc/45/29/69/712452969.db2.gz BYSREJWZNNPJNE-NXEZZACHSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](OC)C23CCC3)[nH+]cn1 ZINC000713111142 712452972 /nfs/dbraw/zinc/45/29/72/712452972.db2.gz BYSREJWZNNPJNE-NXEZZACHSA-N 1 2 248.330 1.888 20 0 BDADLO C=C/C=C\CCNc1[nH+]cnc2c1cnn2C ZINC000713507410 712463832 /nfs/dbraw/zinc/46/38/32/712463832.db2.gz TYJUEDYNKMEHTF-PLNGDYQASA-N 1 2 229.287 1.908 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCC(C)(C)CO1 ZINC000713562537 712464771 /nfs/dbraw/zinc/46/47/71/712464771.db2.gz UKOINPDFGMGYPZ-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)CF)nn1 ZINC000714437219 712486627 /nfs/dbraw/zinc/48/66/27/712486627.db2.gz NEBZXAMKABOEAT-QMMMGPOBSA-N 1 2 200.261 1.136 20 0 BDADLO COC(=O)C1(O)C[NH+](C[C@@H](C)c2ccccc2)C1 ZINC000714504976 712492723 /nfs/dbraw/zinc/49/27/23/712492723.db2.gz XAHNZOVCOKZCRS-LLVKDONJSA-N 1 2 249.310 1.010 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2ncc[nH]2)c1C ZINC000716482311 712565349 /nfs/dbraw/zinc/56/53/49/712565349.db2.gz HUYQZWGOBPSVAX-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO Cc1nonc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000812862218 712587115 /nfs/dbraw/zinc/58/71/15/712587115.db2.gz QGJGAKNELGEUOC-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nonc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000812862218 712587117 /nfs/dbraw/zinc/58/71/17/712587117.db2.gz QGJGAKNELGEUOC-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cccc(C(C)=O)c1 ZINC000827473279 712593272 /nfs/dbraw/zinc/59/32/72/712593272.db2.gz PNQSFCFEQUQDBX-UHFFFAOYSA-N 1 2 248.326 1.457 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cccc(C(C)=O)c1 ZINC000827473279 712593273 /nfs/dbraw/zinc/59/32/73/712593273.db2.gz PNQSFCFEQUQDBX-UHFFFAOYSA-N 1 2 248.326 1.457 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(F)nc1 ZINC000380146751 712699790 /nfs/dbraw/zinc/69/97/90/712699790.db2.gz SCQKFVCYTJOLOQ-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO C[N@@H+]1CC[C@@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000037647413 712733779 /nfs/dbraw/zinc/73/37/79/712733779.db2.gz KNFKKSVWJXKTER-VIFPVBQESA-N 1 2 235.287 1.143 20 0 BDADLO C[N@H+]1CC[C@@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000037647413 712733780 /nfs/dbraw/zinc/73/37/80/712733780.db2.gz KNFKKSVWJXKTER-VIFPVBQESA-N 1 2 235.287 1.143 20 0 BDADLO c1ccc(N2CC[C@@H](C3OCCO3)C2)[nH+]c1 ZINC000719013209 712793918 /nfs/dbraw/zinc/79/39/18/712793918.db2.gz WOTCKBTXQCGYLD-SNVBAGLBSA-N 1 2 220.272 1.281 20 0 BDADLO C[C@@H]1Cc2cc(C[NH+]3CCOCC3)ccc2O1 ZINC000720781848 712865293 /nfs/dbraw/zinc/86/52/93/712865293.db2.gz UENBPPDVOMPENZ-LLVKDONJSA-N 1 2 233.311 1.842 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720789062 712865764 /nfs/dbraw/zinc/86/57/64/712865764.db2.gz OFGKTCPSZNHSNI-DCAQKATOSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720789062 712865765 /nfs/dbraw/zinc/86/57/65/712865765.db2.gz OFGKTCPSZNHSNI-DCAQKATOSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC2)o1 ZINC001037986383 712896547 /nfs/dbraw/zinc/89/65/47/712896547.db2.gz QDCDNRJLRBYBKX-LLVKDONJSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC2)o1 ZINC001037986383 712896548 /nfs/dbraw/zinc/89/65/48/712896548.db2.gz QDCDNRJLRBYBKX-LLVKDONJSA-N 1 2 249.314 1.084 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982959 712896789 /nfs/dbraw/zinc/89/67/89/712896789.db2.gz GFUUQMZFKUTWJM-WDEREUQCSA-N 1 2 228.311 1.335 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982959 712896791 /nfs/dbraw/zinc/89/67/91/712896791.db2.gz GFUUQMZFKUTWJM-WDEREUQCSA-N 1 2 228.311 1.335 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982955 712896842 /nfs/dbraw/zinc/89/68/42/712896842.db2.gz GFUUQMZFKUTWJM-GHMZBOCLSA-N 1 2 228.311 1.335 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037982955 712896843 /nfs/dbraw/zinc/89/68/43/712896843.db2.gz GFUUQMZFKUTWJM-GHMZBOCLSA-N 1 2 228.311 1.335 20 0 BDADLO COCCCC[NH+]1CC(F)(C2CC2)C1 ZINC001209213693 957356920 /nfs/dbraw/zinc/35/69/20/957356920.db2.gz FRWLZAJOUPCDSO-UHFFFAOYSA-N 1 2 201.285 1.847 20 0 BDADLO O=C1CC(Nc2ccn3cc[nH+]c3c2)C1 ZINC001167339272 957794714 /nfs/dbraw/zinc/79/47/14/957794714.db2.gz XYVMXKRDPLJAGE-UHFFFAOYSA-N 1 2 201.229 1.478 20 0 BDADLO CN(Cc1cccnc1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724765511 959420686 /nfs/dbraw/zinc/42/06/86/959420686.db2.gz DTTKCCRBNIPMEJ-SECBINFHSA-N 1 2 243.257 1.023 20 0 BDADLO CCN(C)c1cc(NC(C)(C)CCO)[nH+]cn1 ZINC001167741440 960391499 /nfs/dbraw/zinc/39/14/99/960391499.db2.gz UYDIBSAZVWYEAD-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO CCN(C)c1cc(NC(C)(C)CCO)nc[nH+]1 ZINC001167741440 960391507 /nfs/dbraw/zinc/39/15/07/960391507.db2.gz UYDIBSAZVWYEAD-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO CS(=O)(=O)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140707580 960523865 /nfs/dbraw/zinc/52/38/65/960523865.db2.gz SWSMNIXQNOSTMW-UHFFFAOYSA-N 1 2 242.344 1.024 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](O)CC2)n[nH]1 ZINC001203070540 960624951 /nfs/dbraw/zinc/62/49/51/960624951.db2.gz YKRKWAFAXZVUMR-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001203070447 960625059 /nfs/dbraw/zinc/62/50/59/960625059.db2.gz UFTHABJLHMBHBI-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1[nH]cc(C)c1C ZINC001140863801 960646395 /nfs/dbraw/zinc/64/63/95/960646395.db2.gz CLHUIPMKCMWASL-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1[nH]cc(C)c1C ZINC001140863801 960646406 /nfs/dbraw/zinc/64/64/06/960646406.db2.gz CLHUIPMKCMWASL-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1F ZINC001141031546 960822244 /nfs/dbraw/zinc/82/22/44/960822244.db2.gz RATXMHNYQWEAEF-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1F ZINC001141031546 960822245 /nfs/dbraw/zinc/82/22/45/960822245.db2.gz RATXMHNYQWEAEF-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1ccncc1C[N@H+]1CCCC(=O)CC1 ZINC001141033282 960825421 /nfs/dbraw/zinc/82/54/21/960825421.db2.gz IJSQUIOONVDWOS-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1nc(N2CC[C@H](CO)C2)cc(C(C)C)[nH+]1 ZINC000709796217 961581670 /nfs/dbraw/zinc/58/16/70/961581670.db2.gz QTEYKIVRENLCDD-NSHDSACASA-N 1 2 235.331 1.727 20 0 BDADLO CC[C@@H](SC)C(=O)NCC1C[NH+](CCF)C1 ZINC001268818149 962351063 /nfs/dbraw/zinc/35/10/63/962351063.db2.gz GPVVTFFSBHIJHU-SNVBAGLBSA-N 1 2 248.367 1.146 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(O)cn1 ZINC000132633708 962466159 /nfs/dbraw/zinc/46/61/59/962466159.db2.gz QMMUNEUCCIWXRN-LLVKDONJSA-N 1 2 222.288 1.398 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(O)cn1 ZINC000132633708 962466173 /nfs/dbraw/zinc/46/61/73/962466173.db2.gz QMMUNEUCCIWXRN-LLVKDONJSA-N 1 2 222.288 1.398 20 0 BDADLO Cc1nc(NCC2COC2)c2c([nH+]1)CCC2 ZINC001154634331 962821948 /nfs/dbraw/zinc/82/19/48/962821948.db2.gz NXTIXBZBVAXBLR-UHFFFAOYSA-N 1 2 219.288 1.332 20 0 BDADLO CC[C@H](C)Nc1cc[nH+]c(C(=O)OC)c1C ZINC001168002920 963241272 /nfs/dbraw/zinc/24/12/72/963241272.db2.gz FIDRCMFTTVZISY-QMMMGPOBSA-N 1 2 222.288 1.809 20 0 BDADLO CSc1cc[nH+]c(NC[C@H]2COCCO2)c1 ZINC001157483390 963630951 /nfs/dbraw/zinc/63/09/51/963630951.db2.gz PIAJTEPQGOMJGS-VIFPVBQESA-N 1 2 240.328 1.631 20 0 BDADLO COc1ncc(F)c(NC2C[NH+](C(C)C)C2)n1 ZINC001157530394 963643655 /nfs/dbraw/zinc/64/36/55/963643655.db2.gz BZVWEVNEHWXGBC-UHFFFAOYSA-N 1 2 240.282 1.129 20 0 BDADLO CCCN(CCC)C(=O)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001160856539 964420558 /nfs/dbraw/zinc/42/05/58/964420558.db2.gz PVYBACINJCANJB-SNVBAGLBSA-N 1 2 248.317 1.880 20 0 BDADLO Cc1cc[nH+]cc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168345390 964484825 /nfs/dbraw/zinc/48/48/25/964484825.db2.gz DDCFTLXJEGJZAB-KLPPZKSPSA-N 1 2 206.289 1.963 20 0 BDADLO COC(=O)CNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001164551263 965910014 /nfs/dbraw/zinc/91/00/14/965910014.db2.gz IMCOULGDOIASCY-UHFFFAOYSA-N 1 2 249.192 1.268 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@H](CO)C1 ZINC001166549930 966299585 /nfs/dbraw/zinc/29/95/85/966299585.db2.gz OEYHHEXGRFJQCA-SECBINFHSA-N 1 2 210.252 1.348 20 0 BDADLO CCc1cn(CC(=O)NCCC(C)(C)C)c[nH+]1 ZINC001166821684 966419649 /nfs/dbraw/zinc/41/96/49/966419649.db2.gz DKFWSTZNRSKTBE-UHFFFAOYSA-N 1 2 237.347 1.998 20 0 BDADLO Clc1nccnc1C[N@@H+]1CCC2(COC2)C1 ZINC001236613181 966481214 /nfs/dbraw/zinc/48/12/14/966481214.db2.gz GQQGZLDJNMNMAE-UHFFFAOYSA-N 1 2 239.706 1.352 20 0 BDADLO Clc1nccnc1C[N@H+]1CCC2(COC2)C1 ZINC001236613181 966481222 /nfs/dbraw/zinc/48/12/22/966481222.db2.gz GQQGZLDJNMNMAE-UHFFFAOYSA-N 1 2 239.706 1.352 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)[nH]1 ZINC001237607628 966675253 /nfs/dbraw/zinc/67/52/53/966675253.db2.gz COYNKXQPTPSFAD-GHMZBOCLSA-N 1 2 220.320 1.959 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)[nH]1 ZINC001237607628 966675281 /nfs/dbraw/zinc/67/52/81/966675281.db2.gz COYNKXQPTPSFAD-GHMZBOCLSA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n[nH]1 ZINC001237607628 966675298 /nfs/dbraw/zinc/67/52/98/966675298.db2.gz COYNKXQPTPSFAD-GHMZBOCLSA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)n[nH]1 ZINC001237607628 966675307 /nfs/dbraw/zinc/67/53/07/966675307.db2.gz COYNKXQPTPSFAD-GHMZBOCLSA-N 1 2 220.320 1.959 20 0 BDADLO COc1ccc(C[N@H+](C)C2COC2)cc1OC ZINC001203838437 966791533 /nfs/dbraw/zinc/79/15/33/966791533.db2.gz ZSMKVJNQNKMOEK-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO COc1ccc(C[N@@H+](C)C2COC2)cc1OC ZINC001203838437 966791542 /nfs/dbraw/zinc/79/15/42/966791542.db2.gz ZSMKVJNQNKMOEK-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO Cc1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001204174222 966913697 /nfs/dbraw/zinc/91/36/97/966913697.db2.gz KCGZYZVHRWUABV-UHFFFAOYSA-N 1 2 203.285 1.970 20 0 BDADLO CCCCc1cnn(CC[NH+]2CCOCC2)c1 ZINC001249975605 967216327 /nfs/dbraw/zinc/21/63/27/967216327.db2.gz MITCMWJXQXLHTR-UHFFFAOYSA-N 1 2 237.347 1.558 20 0 BDADLO COC(=O)CCCc1ccc2[nH+]ccn2c1 ZINC001250141623 967428591 /nfs/dbraw/zinc/42/85/91/967428591.db2.gz LTHNYNCMQPTALH-UHFFFAOYSA-N 1 2 218.256 1.830 20 0 BDADLO COC(=O)CCCc1ccn2cc[nH+]c2c1 ZINC001250145232 967432431 /nfs/dbraw/zinc/43/24/31/967432431.db2.gz MTANJFGYMFWADL-UHFFFAOYSA-N 1 2 218.256 1.830 20 0 BDADLO c1nocc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001205733033 967806216 /nfs/dbraw/zinc/80/62/16/967806216.db2.gz ZUWFGKQKDOIMCG-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO c1nocc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001205733033 967806220 /nfs/dbraw/zinc/80/62/20/967806220.db2.gz ZUWFGKQKDOIMCG-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](F)C(C)(C)O ZINC001162408493 967831077 /nfs/dbraw/zinc/83/10/77/967831077.db2.gz KAICUZOJUWPPCT-SECBINFHSA-N 1 2 228.267 1.611 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)CCCC1=O ZINC001206322902 968230031 /nfs/dbraw/zinc/23/00/31/968230031.db2.gz UXKZNFYBFBITEE-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)CCCC1=O ZINC001206322902 968230043 /nfs/dbraw/zinc/23/00/43/968230043.db2.gz UXKZNFYBFBITEE-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252116845 968601751 /nfs/dbraw/zinc/60/17/51/968601751.db2.gz ZCQGHZKETJBIGU-MNOVXSKESA-N 1 2 231.336 1.469 20 0 BDADLO Cc1cn2c(cccc2NCC(C)(C)O)[nH+]1 ZINC001252344185 968623759 /nfs/dbraw/zinc/62/37/59/968623759.db2.gz ASZLSYHFDFVWCP-UHFFFAOYSA-N 1 2 219.288 1.826 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncc(F)cc1F ZINC001207092476 968626818 /nfs/dbraw/zinc/62/68/18/968626818.db2.gz CVOBWWDSJJHCQV-APPZFPTMSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ncc(F)cc1F ZINC001207092476 968626824 /nfs/dbraw/zinc/62/68/24/968626824.db2.gz CVOBWWDSJJHCQV-APPZFPTMSA-N 1 2 228.242 1.315 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001207413393 968757733 /nfs/dbraw/zinc/75/77/33/968757733.db2.gz QRHYSHPBXGTRAQ-WDEREUQCSA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001207413393 968757741 /nfs/dbraw/zinc/75/77/41/968757741.db2.gz QRHYSHPBXGTRAQ-WDEREUQCSA-N 1 2 227.304 1.050 20 0 BDADLO CCCCC[C@@H](O)C[N@H+](C)CC(=O)OC ZINC001253539594 969214412 /nfs/dbraw/zinc/21/44/12/969214412.db2.gz YEOLLGKFMJFDJP-SNVBAGLBSA-N 1 2 217.309 1.032 20 0 BDADLO CCCCC[C@@H](O)C[N@@H+](C)CC(=O)OC ZINC001253539594 969214420 /nfs/dbraw/zinc/21/44/20/969214420.db2.gz YEOLLGKFMJFDJP-SNVBAGLBSA-N 1 2 217.309 1.032 20 0 BDADLO CCCCC[C@H](O)C[N@@H+]1CCn2nccc2C1 ZINC001253541321 969218407 /nfs/dbraw/zinc/21/84/07/969218407.db2.gz LBMOALUALMUKJV-ZDUSSCGKSA-N 1 2 237.347 1.640 20 0 BDADLO CCCCC[C@H](O)C[N@H+]1CCn2nccc2C1 ZINC001253541321 969218416 /nfs/dbraw/zinc/21/84/16/969218416.db2.gz LBMOALUALMUKJV-ZDUSSCGKSA-N 1 2 237.347 1.640 20 0 BDADLO COCCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209217540 969400518 /nfs/dbraw/zinc/40/05/18/969400518.db2.gz IBFWYWQLHAXIDU-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO COCCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209217540 969400522 /nfs/dbraw/zinc/40/05/22/969400522.db2.gz IBFWYWQLHAXIDU-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO F[C@@H]1C[N@H+](Cc2cnccn2)C[C@@H]2C[C@@H]21 ZINC001209780170 969608503 /nfs/dbraw/zinc/60/85/03/969608503.db2.gz AVWBPMZKPQFUJF-INTQDDNPSA-N 1 2 207.252 1.266 20 0 BDADLO F[C@@H]1C[N@@H+](Cc2cnccn2)C[C@@H]2C[C@@H]21 ZINC001209780170 969608507 /nfs/dbraw/zinc/60/85/07/969608507.db2.gz AVWBPMZKPQFUJF-INTQDDNPSA-N 1 2 207.252 1.266 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000723624038 969789843 /nfs/dbraw/zinc/78/98/43/969789843.db2.gz OZEMFIFZCNJNNR-LLVKDONJSA-N 1 2 222.288 1.784 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000723624038 969789850 /nfs/dbraw/zinc/78/98/50/969789850.db2.gz OZEMFIFZCNJNNR-LLVKDONJSA-N 1 2 222.288 1.784 20 0 BDADLO C[C@H]1CCC[C@H]1OCC[NH+]1CCOCC1 ZINC001210190954 969824855 /nfs/dbraw/zinc/82/48/55/969824855.db2.gz BAPYZQZJSVPSAK-NWDGAFQWSA-N 1 2 213.321 1.524 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255538625 970308801 /nfs/dbraw/zinc/30/88/01/970308801.db2.gz YTODXQKDRNMWFO-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@H](C)COC ZINC001255560546 970343671 /nfs/dbraw/zinc/34/36/71/970343671.db2.gz GYKGBIZWOUSMMZ-PWSUYJOCSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H]1CC[C@@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001173287532 975249546 /nfs/dbraw/zinc/24/95/46/975249546.db2.gz KPQHAFCOZNUPTH-NXEZZACHSA-N 1 2 231.361 1.294 20 0 BDADLO CCSC[C@H](C)[NH2+]C(C)(C)C(=O)OC ZINC001173287594 975250211 /nfs/dbraw/zinc/25/02/11/975250211.db2.gz NORPGHLAGZEGBK-QMMMGPOBSA-N 1 2 219.350 1.669 20 0 BDADLO Cc1[nH]c(=O)nc(O[C@H]2CC[N@@H+](C)C2)c1Cl ZINC001227111918 975280296 /nfs/dbraw/zinc/28/02/96/975280296.db2.gz STSABERPSUKVPQ-ZETCQYMHSA-N 1 2 243.694 1.227 20 0 BDADLO Cc1[nH]c(=O)nc(O[C@H]2CC[N@H+](C)C2)c1Cl ZINC001227111918 975280306 /nfs/dbraw/zinc/28/03/06/975280306.db2.gz STSABERPSUKVPQ-ZETCQYMHSA-N 1 2 243.694 1.227 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@H]1CCOC1=O ZINC001227259831 975335713 /nfs/dbraw/zinc/33/57/13/975335713.db2.gz MJFOMRPUBZRPTA-VIFPVBQESA-N 1 2 207.229 1.393 20 0 BDADLO C[NH+]1CC(Oc2cccc3scnc32)C1 ZINC001227950143 975809136 /nfs/dbraw/zinc/80/91/36/975809136.db2.gz WPHANDRMIPHSOT-UHFFFAOYSA-N 1 2 220.297 1.989 20 0 BDADLO CC(C)CC[N@H+](Cc1nnc[nH]1)C1CC1 ZINC001333572008 975857255 /nfs/dbraw/zinc/85/72/55/975857255.db2.gz OSFXUBWOOWHNJA-UHFFFAOYSA-N 1 2 208.309 1.815 20 0 BDADLO CC(C)CC[N@@H+](Cc1nnc[nH]1)C1CC1 ZINC001333572008 975857263 /nfs/dbraw/zinc/85/72/63/975857263.db2.gz OSFXUBWOOWHNJA-UHFFFAOYSA-N 1 2 208.309 1.815 20 0 BDADLO CC[NH+]1CC(Oc2cnc(F)c(C)c2)C1 ZINC001228587672 976356611 /nfs/dbraw/zinc/35/66/11/976356611.db2.gz UZWKPIJPKYCXGS-UHFFFAOYSA-N 1 2 210.252 1.612 20 0 BDADLO CCc1ccc(O)cc1OC1C[NH+](C)C1 ZINC001230287802 977165235 /nfs/dbraw/zinc/16/52/35/977165235.db2.gz WBDVXSYASPSQAN-UHFFFAOYSA-N 1 2 207.273 1.647 20 0 BDADLO Oc1cc(C[N@H+]2CC[C@@H](O)C2)cc(F)c1F ZINC001232968318 978369864 /nfs/dbraw/zinc/36/98/64/978369864.db2.gz HJESJGBTMBRKMB-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1cc(C[N@@H+]2CC[C@@H](O)C2)cc(F)c1F ZINC001232968318 978369881 /nfs/dbraw/zinc/36/98/81/978369881.db2.gz HJESJGBTMBRKMB-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)sn1 ZINC001233312622 978540732 /nfs/dbraw/zinc/54/07/32/978540732.db2.gz BNTKAHVJGQDSEM-UWVGGRQHSA-N 1 2 223.345 1.340 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)sn1 ZINC001233312622 978540740 /nfs/dbraw/zinc/54/07/40/978540740.db2.gz BNTKAHVJGQDSEM-UWVGGRQHSA-N 1 2 223.345 1.340 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](O)C(F)(F)C2)[nH+]1 ZINC001338049830 978599227 /nfs/dbraw/zinc/59/92/27/978599227.db2.gz YIGTUSRQADGAFC-SECBINFHSA-N 1 2 246.232 1.735 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncc(Cl)n2)CC[C@@H]1O ZINC001233446966 978603675 /nfs/dbraw/zinc/60/36/75/978603675.db2.gz PHMPCCPWYJETBA-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncc(Cl)n2)CC[C@@H]1O ZINC001233446966 978603677 /nfs/dbraw/zinc/60/36/77/978603677.db2.gz PHMPCCPWYJETBA-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO CCc1[nH]c(CNC(=O)CCOC(C)C)c[nH+]1 ZINC001178662749 978604000 /nfs/dbraw/zinc/60/40/00/978604000.db2.gz YJAODPOIIONAPL-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCOC(C)C)[nH+]1 ZINC001178662749 978604009 /nfs/dbraw/zinc/60/40/09/978604009.db2.gz YJAODPOIIONAPL-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO CC[NH+]1CC(Oc2cc(F)cc(N(C)C)c2)C1 ZINC001234946114 978936726 /nfs/dbraw/zinc/93/67/26/978936726.db2.gz UCMYGIAGOQGDRF-UHFFFAOYSA-N 1 2 238.306 1.975 20 0 BDADLO COC[C@H]1C[N@H+](CCc2ccns2)CCO1 ZINC001340585739 979040071 /nfs/dbraw/zinc/04/00/71/979040071.db2.gz KRTVADJKPXCAQW-SNVBAGLBSA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC001340585739 979040075 /nfs/dbraw/zinc/04/00/75/979040075.db2.gz KRTVADJKPXCAQW-SNVBAGLBSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCC(F)(F)C1 ZINC001235540926 979082180 /nfs/dbraw/zinc/08/21/80/979082180.db2.gz QCMJXXDNBPWZIJ-UHFFFAOYSA-N 1 2 215.247 1.570 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@H]2C[C@@]2(F)Cl)[nH+]1 ZINC001181669231 979238853 /nfs/dbraw/zinc/23/88/53/979238853.db2.gz SQVOXKFLBXWSRE-XCBNKYQSSA-N 1 2 245.685 1.301 20 0 BDADLO CN(C)c1ccnc(Cl)c1C[N@H+](C)CCO ZINC001236257193 979476976 /nfs/dbraw/zinc/47/69/76/979476976.db2.gz WDTHJFBTWWAWNU-UHFFFAOYSA-N 1 2 243.738 1.225 20 0 BDADLO CN(C)c1ccnc(Cl)c1C[N@@H+](C)CCO ZINC001236257193 979476986 /nfs/dbraw/zinc/47/69/86/979476986.db2.gz WDTHJFBTWWAWNU-UHFFFAOYSA-N 1 2 243.738 1.225 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)NCC(C)(F)F ZINC001182830693 979653000 /nfs/dbraw/zinc/65/30/00/979653000.db2.gz WIXWROVDOXQBNV-QMMMGPOBSA-N 1 2 220.263 1.241 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)NCC(C)(F)F ZINC001182830693 979653009 /nfs/dbraw/zinc/65/30/09/979653009.db2.gz WIXWROVDOXQBNV-QMMMGPOBSA-N 1 2 220.263 1.241 20 0 BDADLO CC[N@H+](CCOC)Cc1nccnc1Cl ZINC001236607293 979678338 /nfs/dbraw/zinc/67/83/38/979678338.db2.gz DGAMDPJCGJXGGZ-UHFFFAOYSA-N 1 2 229.711 1.598 20 0 BDADLO CC[N@@H+](CCOC)Cc1nccnc1Cl ZINC001236607293 979678349 /nfs/dbraw/zinc/67/83/49/979678349.db2.gz DGAMDPJCGJXGGZ-UHFFFAOYSA-N 1 2 229.711 1.598 20 0 BDADLO CSCC[N@H+](C)Cc1nccnc1Cl ZINC001236625464 979685980 /nfs/dbraw/zinc/68/59/80/979685980.db2.gz QTLSFNIXTKQWNU-UHFFFAOYSA-N 1 2 231.752 1.925 20 0 BDADLO CSCC[N@@H+](C)Cc1nccnc1Cl ZINC001236625464 979685984 /nfs/dbraw/zinc/68/59/84/979685984.db2.gz QTLSFNIXTKQWNU-UHFFFAOYSA-N 1 2 231.752 1.925 20 0 BDADLO CC(=O)N(C)C1C[NH+](CC2OC=CC2=S)C1 ZINC001237189323 979839479 /nfs/dbraw/zinc/83/94/79/979839479.db2.gz CFECYYFSRYETOP-UHFFFAOYSA-N 1 2 240.328 1.231 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CSC[C@H]1C)n1cc[nH+]c1 ZINC001342699905 979870465 /nfs/dbraw/zinc/87/04/65/979870465.db2.gz LIEJWGXVWDVLBD-OPRDCNLKSA-N 1 2 239.344 1.312 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237653200 980015248 /nfs/dbraw/zinc/01/52/48/980015248.db2.gz DBRYRRGTEXUEIE-JOYOIKCWSA-N 1 2 221.304 1.193 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237653200 980015257 /nfs/dbraw/zinc/01/52/57/980015257.db2.gz DBRYRRGTEXUEIE-JOYOIKCWSA-N 1 2 221.304 1.193 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238025582 980130384 /nfs/dbraw/zinc/13/03/84/980130384.db2.gz XKAIXDQPSHPLPC-MRVPVSSYSA-N 1 2 230.670 1.441 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238025582 980130390 /nfs/dbraw/zinc/13/03/90/980130390.db2.gz XKAIXDQPSHPLPC-MRVPVSSYSA-N 1 2 230.670 1.441 20 0 BDADLO C[C@@H](C(=O)NCCCCF)n1cc[nH+]c1 ZINC001343781584 980235180 /nfs/dbraw/zinc/23/51/80/980235180.db2.gz WSUJTPXEXULWFR-VIFPVBQESA-N 1 2 213.256 1.310 20 0 BDADLO CCOc1cc(C[N@H+](C)CCOC)c(F)cn1 ZINC001238730433 980319234 /nfs/dbraw/zinc/31/92/34/980319234.db2.gz SWYIMOOPWLQIJI-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO CCOc1cc(C[N@@H+](C)CCOC)c(F)cn1 ZINC001238730433 980319241 /nfs/dbraw/zinc/31/92/41/980319241.db2.gz SWYIMOOPWLQIJI-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1(C2CC2)CC1 ZINC001344849791 980484687 /nfs/dbraw/zinc/48/46/87/980484687.db2.gz COMLQNQYIBWRMM-NSHDSACASA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1(C2CC2)CC1 ZINC001344849791 980484692 /nfs/dbraw/zinc/48/46/92/980484692.db2.gz COMLQNQYIBWRMM-NSHDSACASA-N 1 2 241.306 1.764 20 0 BDADLO C/C=C(\C)C(=O)OCc1c[nH+]cn1CC ZINC001344972803 980509809 /nfs/dbraw/zinc/50/98/09/980509809.db2.gz SCJGRJNGYOPEMZ-RUDMXATFSA-N 1 2 208.261 1.912 20 0 BDADLO CCNc1cc(CNC(=O)NOCC)cc[nH+]1 ZINC001346390412 980826002 /nfs/dbraw/zinc/82/60/02/980826002.db2.gz MQQWXJQXXKBQEI-UHFFFAOYSA-N 1 2 238.291 1.264 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)/C=C\C(C)(C)C ZINC001347711115 981151090 /nfs/dbraw/zinc/15/10/90/981151090.db2.gz JTAUCLUBOBKILA-ALCCZGGFSA-N 1 2 235.331 1.681 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001349266550 981525225 /nfs/dbraw/zinc/52/52/25/981525225.db2.gz QIQCFNWXGAXKQL-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC001349498352 981566212 /nfs/dbraw/zinc/56/62/12/981566212.db2.gz BOAJHMIMHHVDGU-ZMLRMANQSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@@H]1CCOC1 ZINC001349676321 981641561 /nfs/dbraw/zinc/64/15/61/981641561.db2.gz MAGLZFIDVLBQNP-LLVKDONJSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@@H]1CCOC1 ZINC001349676321 981641571 /nfs/dbraw/zinc/64/15/71/981641571.db2.gz MAGLZFIDVLBQNP-LLVKDONJSA-N 1 2 223.320 1.577 20 0 BDADLO CC[C@H](C)OC(=O)NCCn1cc[nH+]c1 ZINC001195079315 982065382 /nfs/dbraw/zinc/06/53/82/982065382.db2.gz QFARRAUOCISZPC-VIFPVBQESA-N 1 2 211.265 1.408 20 0 BDADLO Cn1cc(-c2cc[nH+]c(N)c2)cc(F)c1=O ZINC001241170412 982319633 /nfs/dbraw/zinc/31/96/33/982319633.db2.gz MLRXHONFMONZOK-UHFFFAOYSA-N 1 2 219.219 1.169 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC001352014852 982438057 /nfs/dbraw/zinc/43/80/57/982438057.db2.gz ASKPOEQEBCWCHT-IUCAKERBSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC001352014852 982438064 /nfs/dbraw/zinc/43/80/64/982438064.db2.gz ASKPOEQEBCWCHT-IUCAKERBSA-N 1 2 206.293 1.753 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@@H+]1CC1CCCC1 ZINC001202191167 983595043 /nfs/dbraw/zinc/59/50/43/983595043.db2.gz XHOCJNOYTFILEK-ZDUSSCGKSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@H+]1CC1CCCC1 ZINC001202191167 983595049 /nfs/dbraw/zinc/59/50/49/983595049.db2.gz XHOCJNOYTFILEK-ZDUSSCGKSA-N 1 2 241.331 1.441 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252777626 983880336 /nfs/dbraw/zinc/88/03/36/983880336.db2.gz CRYKFICWOYVXPX-LPEHRKFASA-N 1 2 207.264 1.529 20 0 BDADLO CCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252777626 983880338 /nfs/dbraw/zinc/88/03/38/983880338.db2.gz CRYKFICWOYVXPX-LPEHRKFASA-N 1 2 207.264 1.529 20 0 BDADLO CC[NH+]1CCC(Oc2nc(=O)[nH]cc2F)CC1 ZINC001225881820 974713818 /nfs/dbraw/zinc/71/38/18/974713818.db2.gz NDBGJAWZYJRONY-UHFFFAOYSA-N 1 2 241.266 1.184 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CCOC(C)C ZINC001172438321 974792916 /nfs/dbraw/zinc/79/29/16/974792916.db2.gz PIIUYZDHBLGPNQ-MNOVXSKESA-N 1 2 231.336 1.731 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001331703347 974796761 /nfs/dbraw/zinc/79/67/61/974796761.db2.gz RAMZPTFMSHHEII-DTORHVGOSA-N 1 2 205.261 1.399 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001331703347 974796762 /nfs/dbraw/zinc/79/67/62/974796762.db2.gz RAMZPTFMSHHEII-DTORHVGOSA-N 1 2 205.261 1.399 20 0 BDADLO COC(=O)C1([NH2+][C@H](C)CCOCC(C)C)CC1 ZINC001172453333 974817366 /nfs/dbraw/zinc/81/73/66/974817366.db2.gz CAWPZKFHCBFZFF-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncn[nH]1)[C@H]1CCCOC1 ZINC001331838097 974833363 /nfs/dbraw/zinc/83/33/63/974833363.db2.gz UCPAAEOVUGLYLX-VHSXEESVSA-N 1 2 224.308 1.100 20 0 BDADLO C[C@H](OCc1c[nH+]cn1C)c1cnccn1 ZINC001222599397 972597188 /nfs/dbraw/zinc/59/71/88/972597188.db2.gz ALZAVHJTGYUFRY-VIFPVBQESA-N 1 2 218.260 1.488 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H]2C)cc1F ZINC001144454795 972825439 /nfs/dbraw/zinc/82/54/39/972825439.db2.gz KHVXPHLMRKMQJP-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H]2C)cc1F ZINC001144454795 972825444 /nfs/dbraw/zinc/82/54/44/972825444.db2.gz KHVXPHLMRKMQJP-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1c(F)cc(O)cc1F ZINC001144544642 972856534 /nfs/dbraw/zinc/85/65/34/972856534.db2.gz BGQMVIZFXHKRGB-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1c(F)cc(O)cc1F ZINC001144544642 972856539 /nfs/dbraw/zinc/85/65/39/972856539.db2.gz BGQMVIZFXHKRGB-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO CCNC(=O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001243474998 970772420 /nfs/dbraw/zinc/77/24/20/970772420.db2.gz BYTXDLBKTIJPRV-UHFFFAOYSA-N 1 2 242.282 1.476 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2nccc(=O)n2c1 ZINC001243476934 970772589 /nfs/dbraw/zinc/77/25/89/970772589.db2.gz WLIIKTNGFPCMDV-UHFFFAOYSA-N 1 2 238.250 1.339 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)[C@H](C)Cc1ccccn1 ZINC001256416452 970821550 /nfs/dbraw/zinc/82/15/50/970821550.db2.gz BUTZOXTZQILZAV-MNOVXSKESA-N 1 2 236.315 1.506 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC001256416452 970821554 /nfs/dbraw/zinc/82/15/54/970821554.db2.gz BUTZOXTZQILZAV-MNOVXSKESA-N 1 2 236.315 1.506 20 0 BDADLO C[C@H](Cc1ccccn1)[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001256421499 970827550 /nfs/dbraw/zinc/82/75/50/970827550.db2.gz KOFKYTXTYAUCDX-VXGBXAGGSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@H](Cc1ccccn1)[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001256421499 970827554 /nfs/dbraw/zinc/82/75/54/970827554.db2.gz KOFKYTXTYAUCDX-VXGBXAGGSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001256418487 970827620 /nfs/dbraw/zinc/82/76/20/970827620.db2.gz WHMVZCVEBILLPO-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@H+]1Cc2cnn(C)c2C1 ZINC001256418487 970827627 /nfs/dbraw/zinc/82/76/27/970827627.db2.gz WHMVZCVEBILLPO-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H](Cc1ccccn1)[NH+]1CCN(C#N)CC1 ZINC001256423049 970831946 /nfs/dbraw/zinc/83/19/46/970831946.db2.gz BZUZJXXZMJKHPD-GFCCVEGCSA-N 1 2 230.315 1.111 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCc2ccoc2)c1 ZINC001129538691 970853581 /nfs/dbraw/zinc/85/35/81/970853581.db2.gz WEOYRGUZCWBJCM-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC001129538052 970853863 /nfs/dbraw/zinc/85/38/63/970853863.db2.gz GUQCDILZUKLUNX-SECBINFHSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)C(C)(F)F ZINC001129538251 970854207 /nfs/dbraw/zinc/85/42/07/970854207.db2.gz LDTZZOHPJDYOQJ-QMMMGPOBSA-N 1 2 245.273 1.370 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001256532254 970855652 /nfs/dbraw/zinc/85/56/52/970855652.db2.gz IFWCJERTDMKMPU-UTUOFQBUSA-N 1 2 235.331 1.997 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@@H](C)Cc1ccncc1 ZINC001256718047 970936673 /nfs/dbraw/zinc/93/66/73/970936673.db2.gz AMMUDNSQPWCILM-JTQLQIEISA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccncc1)C1CC1 ZINC001256720903 970942244 /nfs/dbraw/zinc/94/22/44/970942244.db2.gz GROSENLCBOIGHI-MFKMUULPSA-N 1 2 248.326 1.554 20 0 BDADLO COc1cc(CO)cc(Nc2[nH+]cccc2N)c1 ZINC001216197991 970982221 /nfs/dbraw/zinc/98/22/21/970982221.db2.gz HXGURMIFLJLYBJ-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO COCCOc1cnc(C2=C[NH2+]CCC2)cn1 ZINC001243951229 971040883 /nfs/dbraw/zinc/04/08/83/971040883.db2.gz DJKBCEADECNGJB-UHFFFAOYSA-N 1 2 235.287 1.226 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCc3c[nH]nc3C2)c1C ZINC001331989279 971118513 /nfs/dbraw/zinc/11/85/13/971118513.db2.gz KBQUUDPJVVTFCG-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCc3c[nH]nc3C2)c1C ZINC001331989279 971118522 /nfs/dbraw/zinc/11/85/22/971118522.db2.gz KBQUUDPJVVTFCG-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001257248963 971142915 /nfs/dbraw/zinc/14/29/15/971142915.db2.gz PQROUFLPPXJOGR-GMTAPVOTSA-N 1 2 231.336 1.467 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001257251196 971147750 /nfs/dbraw/zinc/14/77/50/971147750.db2.gz LACRHRZPZBNHRL-OPRDCNLKSA-N 1 2 217.309 1.077 20 0 BDADLO CCCCN(c1cc[nH+]cc1)S(C)(=O)=O ZINC000586187494 973945904 /nfs/dbraw/zinc/94/59/04/973945904.db2.gz LMHYJAQOIWUPQH-UHFFFAOYSA-N 1 2 228.317 1.648 20 0 BDADLO Cc1nc(NCc2nccc(Cl)n2)cc[nH+]1 ZINC001170547019 971153149 /nfs/dbraw/zinc/15/31/49/971153149.db2.gz WAGVJUIFZUCJRO-UHFFFAOYSA-N 1 2 235.678 1.841 20 0 BDADLO CCC[C@@H](CC)[N@@H+]1CCN(C)C[C@H]1C(=O)OC ZINC001257268284 971173971 /nfs/dbraw/zinc/17/39/71/971173971.db2.gz FUMCGYRFKRKMOF-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@@H](CC)[N@H+]1CCN(C)C[C@H]1C(=O)OC ZINC001257268284 971173980 /nfs/dbraw/zinc/17/39/80/971173980.db2.gz FUMCGYRFKRKMOF-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@@H](C)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001257307399 971196381 /nfs/dbraw/zinc/19/63/81/971196381.db2.gz KYSYPRVRGJBQIM-BBBLOLIVSA-N 1 2 217.309 1.077 20 0 BDADLO CCC[C@H](C)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257317945 971219832 /nfs/dbraw/zinc/21/98/32/971219832.db2.gz WKZIBVYYNKGWGH-AEJSXWLSSA-N 1 2 217.284 1.760 20 0 BDADLO CCC[C@H](C)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257317945 971219838 /nfs/dbraw/zinc/21/98/38/971219838.db2.gz WKZIBVYYNKGWGH-AEJSXWLSSA-N 1 2 217.284 1.760 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(C)n2)C[C@@H]1F ZINC001204065227 974024391 /nfs/dbraw/zinc/02/43/91/974024391.db2.gz AFRMHZDFRDSZBK-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(C)n2)C[C@@H]1F ZINC001204065227 974024408 /nfs/dbraw/zinc/02/44/08/974024408.db2.gz AFRMHZDFRDSZBK-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000405662551 971289258 /nfs/dbraw/zinc/28/92/58/971289258.db2.gz OHPNUBIWUQPLDR-JVUFJMBOSA-N 1 2 209.293 1.231 20 0 BDADLO CC(=O)OC[C@H]([NH3+])c1nnc(CC(C)(C)C)o1 ZINC001217698469 971336737 /nfs/dbraw/zinc/33/67/37/971336737.db2.gz DJINVUMBAQWKJF-QMMMGPOBSA-N 1 2 241.291 1.221 20 0 BDADLO CC(C)Cc1nnc([C@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217696905 971333530 /nfs/dbraw/zinc/33/35/30/971333530.db2.gz SKFGNMNFYOZSHS-DTWKUNHWSA-N 1 2 225.292 1.054 20 0 BDADLO CC(C)Cc1nnc([C@@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217696907 971336672 /nfs/dbraw/zinc/33/66/72/971336672.db2.gz SKFGNMNFYOZSHS-IUCAKERBSA-N 1 2 225.292 1.054 20 0 BDADLO CCc1ccc(-c2nnc([C@@H]([NH3+])CO)o2)cc1 ZINC001217699881 971339256 /nfs/dbraw/zinc/33/92/56/971339256.db2.gz YAAFLYPXPGABKH-JTQLQIEISA-N 1 2 233.271 1.291 20 0 BDADLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nnc(CC(C)C)o1 ZINC001217730582 971373391 /nfs/dbraw/zinc/37/33/91/971373391.db2.gz VIASBQKHNIZCIF-XCBNKYQSSA-N 1 2 241.291 1.220 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@@H]1CCC(=O)O1 ZINC001224963191 974104500 /nfs/dbraw/zinc/10/45/00/974104500.db2.gz ITPJRVHMYZBJBL-JTQLQIEISA-N 1 2 243.303 1.893 20 0 BDADLO O=C(NOC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000812787216 971535751 /nfs/dbraw/zinc/53/57/51/971535751.db2.gz HXSAMQYPQOMAEG-SECBINFHSA-N 1 2 235.287 1.046 20 0 BDADLO C[C@H]1C[C@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001257937318 971546634 /nfs/dbraw/zinc/54/66/34/971546634.db2.gz JNXWOUZHCXNDOI-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO CNc1cc(-c2cccc3nncn32)cc[nH+]1 ZINC001244973772 971578188 /nfs/dbraw/zinc/57/81/88/971578188.db2.gz QTDRBFXTJTZHPB-UHFFFAOYSA-N 1 2 225.255 1.833 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001330548514 974310393 /nfs/dbraw/zinc/31/03/93/974310393.db2.gz YOYJPCJDHVMYGA-NXEZZACHSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001330548514 974310400 /nfs/dbraw/zinc/31/04/00/974310400.db2.gz YOYJPCJDHVMYGA-NXEZZACHSA-N 1 2 208.309 1.815 20 0 BDADLO OC1CC(Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001218258900 971660915 /nfs/dbraw/zinc/66/09/15/971660915.db2.gz BSSSCPKVEIYXQC-UHFFFAOYSA-N 1 2 230.267 1.774 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H](C)C(=O)OC ZINC001172320010 974529636 /nfs/dbraw/zinc/52/96/36/974529636.db2.gz UVAMXIMUBUGJCM-AXFHLTTASA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC ZINC001172320013 974530405 /nfs/dbraw/zinc/53/04/05/974530405.db2.gz UVAMXIMUBUGJCM-VWYCJHECSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC ZINC001172320012 974531580 /nfs/dbraw/zinc/53/15/80/974531580.db2.gz UVAMXIMUBUGJCM-MXWKQRLJSA-N 1 2 231.336 1.731 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCCOCC1 ZINC001170801139 971844880 /nfs/dbraw/zinc/84/48/80/971844880.db2.gz PJPNHKPJDQCLRI-JTQLQIEISA-N 1 2 215.293 1.098 20 0 BDADLO O=C(NCc1ccccc1C1CC1)C1(F)C[NH2+]C1 ZINC001220003355 972129456 /nfs/dbraw/zinc/12/94/56/972129456.db2.gz NHTSFBCVKUXHKI-UHFFFAOYSA-N 1 2 248.301 1.492 20 0 BDADLO CC(=O)N1CC(Nc2[nH+]ccc(F)c2C)C1 ZINC001159931932 972186048 /nfs/dbraw/zinc/18/60/48/972186048.db2.gz IXGPFRKVINDJMS-UHFFFAOYSA-N 1 2 223.251 1.172 20 0 BDADLO COC[C@H]1COCC[N@@H+]1C[C@@H](C)C(F)(F)F ZINC001208899564 957231503 /nfs/dbraw/zinc/23/15/03/957231503.db2.gz HAVWSRFHSKYLNC-BDAKNGLRSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@H]1COCC[N@H+]1C[C@@H](C)C(F)(F)F ZINC001208899564 957231515 /nfs/dbraw/zinc/23/15/15/957231515.db2.gz HAVWSRFHSKYLNC-BDAKNGLRSA-N 1 2 241.253 1.532 20 0 BDADLO COCOCCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001209024374 957275685 /nfs/dbraw/zinc/27/56/85/957275685.db2.gz WEIRMLVJVBFBNO-SNVBAGLBSA-N 1 2 237.290 1.974 20 0 BDADLO COCOCCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001209024374 957275688 /nfs/dbraw/zinc/27/56/88/957275688.db2.gz WEIRMLVJVBFBNO-SNVBAGLBSA-N 1 2 237.290 1.974 20 0 BDADLO COCC[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001209209358 957354553 /nfs/dbraw/zinc/35/45/53/957354553.db2.gz AAQGQIUSLMCPQC-UHFFFAOYSA-N 1 2 244.335 1.232 20 0 BDADLO CNc1nccc(C[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC001140040884 957413220 /nfs/dbraw/zinc/41/32/20/957413220.db2.gz QAEIGJAVFBLFIE-LBPRGKRZSA-N 1 2 238.310 1.842 20 0 BDADLO CNc1nccc(C[N@H+]2CCC[C@](C)(F)C2)n1 ZINC001140040884 957413227 /nfs/dbraw/zinc/41/32/27/957413227.db2.gz QAEIGJAVFBLFIE-LBPRGKRZSA-N 1 2 238.310 1.842 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H]1C[C@H]1C ZINC001209419240 957427605 /nfs/dbraw/zinc/42/76/05/957427605.db2.gz WJCFHQFHPWHURP-KYXWUPHJSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@H]1C[C@H]1C ZINC001209419240 957427610 /nfs/dbraw/zinc/42/76/10/957427610.db2.gz WJCFHQFHPWHURP-KYXWUPHJSA-N 1 2 215.268 1.228 20 0 BDADLO CCOCC[C@@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001172406636 974663590 /nfs/dbraw/zinc/66/35/90/974663590.db2.gz OJBSFKWVRODPLS-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO Nc1cn2ccc(NCc3cncnc3)cc2[nH+]1 ZINC001167261320 957604879 /nfs/dbraw/zinc/60/48/79/957604879.db2.gz LQHSQBSGDNUSFM-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO O[C@H]1C[N@H+](Cc2cn3ccccc3n2)CC[C@@H]1F ZINC001136875898 972285688 /nfs/dbraw/zinc/28/56/88/972285688.db2.gz KBSWLCPBNPHRMG-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cn3ccccc3n2)CC[C@@H]1F ZINC001136875898 972285692 /nfs/dbraw/zinc/28/56/92/972285692.db2.gz KBSWLCPBNPHRMG-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1[nH+]cc(Nc2nccn3ccnc23)cc1N ZINC001210286711 957715791 /nfs/dbraw/zinc/71/57/91/957715791.db2.gz ACFZQWOXFHKXEQ-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(C)c(C)n2)no1 ZINC000316636682 972288282 /nfs/dbraw/zinc/28/82/82/972288282.db2.gz FIBYNZOALMYFDF-VIFPVBQESA-N 1 2 248.286 1.395 20 0 BDADLO c1ncc(C[N@@H+]2CCc3ncccc3C2)[nH]1 ZINC001136871306 972288737 /nfs/dbraw/zinc/28/87/37/972288737.db2.gz AHWKMVHKMWQPIT-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1ncc(C[N@H+]2CCc3ncccc3C2)[nH]1 ZINC001136871306 972288741 /nfs/dbraw/zinc/28/87/41/972288741.db2.gz AHWKMVHKMWQPIT-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cccc3c2OCC3)n1 ZINC000693171285 957785664 /nfs/dbraw/zinc/78/56/64/957785664.db2.gz AQXTUBBJMOPGFJ-UHFFFAOYSA-N 1 2 244.298 1.040 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)C(=O)NCc1ccco1 ZINC000049441459 957952803 /nfs/dbraw/zinc/95/28/03/957952803.db2.gz HMAWICSISAMPPT-JTQLQIEISA-N 1 2 245.282 1.791 20 0 BDADLO COCC[N@H+](C)Cc1ncc(F)cc1F ZINC001207091248 957990816 /nfs/dbraw/zinc/99/08/16/957990816.db2.gz RPXMJXKEYXGOGR-UHFFFAOYSA-N 1 2 216.231 1.438 20 0 BDADLO COCC[N@@H+](C)Cc1ncc(F)cc1F ZINC001207091248 957990822 /nfs/dbraw/zinc/99/08/22/957990822.db2.gz RPXMJXKEYXGOGR-UHFFFAOYSA-N 1 2 216.231 1.438 20 0 BDADLO CCN1CC[C@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000398062573 958025806 /nfs/dbraw/zinc/02/58/06/958025806.db2.gz MZYCOPIQWQRQEE-UWVGGRQHSA-N 1 2 218.291 1.858 20 0 BDADLO OCc1cncc(Nc2cccn3cc[nH+]c23)c1 ZINC001211103462 958030565 /nfs/dbraw/zinc/03/05/65/958030565.db2.gz UUCLNHYLBCFPRW-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO CCC(=O)N(C)CC[NH2+]Cc1ncc(CC)o1 ZINC001266622302 958058846 /nfs/dbraw/zinc/05/88/46/958058846.db2.gz XQAWTTACNUMBSY-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccoc1C ZINC001211238390 958093129 /nfs/dbraw/zinc/09/31/29/958093129.db2.gz YXQHLWRXKHWRNA-UHFFFAOYSA-N 1 2 235.243 1.533 20 0 BDADLO Clc1cncc(C[N@@H+]2CCn3nccc3C2)c1 ZINC001136997663 972318876 /nfs/dbraw/zinc/31/88/76/972318876.db2.gz JEVPVSSBWHAHOP-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cncc(C[N@H+]2CCn3nccc3C2)c1 ZINC001136997663 972318881 /nfs/dbraw/zinc/31/88/81/972318881.db2.gz JEVPVSSBWHAHOP-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO CC[N@H+](Cc1cnc(OC)c(C)c1)C1COC1 ZINC001137006566 972321244 /nfs/dbraw/zinc/32/12/44/972321244.db2.gz XCMKAUCKXTZWST-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO CC[N@@H+](Cc1cnc(OC)c(C)c1)C1COC1 ZINC001137006566 972321246 /nfs/dbraw/zinc/32/12/46/972321246.db2.gz XCMKAUCKXTZWST-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO O[C@@H]1C[N@H+](Cc2nccs2)CC[C@@H]1F ZINC001204544834 958125322 /nfs/dbraw/zinc/12/53/22/958125322.db2.gz JLBSVNLBFFYZIB-JGVFFNPUSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2nccs2)CC[C@@H]1F ZINC001204544834 958125327 /nfs/dbraw/zinc/12/53/27/958125327.db2.gz JLBSVNLBFFYZIB-JGVFFNPUSA-N 1 2 216.281 1.048 20 0 BDADLO Cc1c[nH+]cc(Nc2nccnc2C(N)=O)c1C ZINC001213524669 958203649 /nfs/dbraw/zinc/20/36/49/958203649.db2.gz CHPDZVOXQGNLJJ-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001137022068 972331329 /nfs/dbraw/zinc/33/13/29/972331329.db2.gz OMCDAIKNZRDHLO-UHFFFAOYSA-N 1 2 219.284 1.283 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)CCC1=O ZINC001137041046 972340090 /nfs/dbraw/zinc/34/00/90/972340090.db2.gz GWABOIDFUKQOBC-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCC1=O ZINC001137041046 972340093 /nfs/dbraw/zinc/34/00/93/972340093.db2.gz GWABOIDFUKQOBC-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCOCC12CCC2 ZINC000707302564 958457647 /nfs/dbraw/zinc/45/76/47/958457647.db2.gz BTCPWZSOYPMQMN-UHFFFAOYSA-N 1 2 247.342 1.878 20 0 BDADLO CNc1ncccc1C[N@H+]1CCOCC12CCC2 ZINC000707302564 958457660 /nfs/dbraw/zinc/45/76/60/958457660.db2.gz BTCPWZSOYPMQMN-UHFFFAOYSA-N 1 2 247.342 1.878 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(CC)nc2C)CCO1 ZINC000891562335 958462188 /nfs/dbraw/zinc/46/21/88/958462188.db2.gz MDTDUJDKMCHDPA-ZDUSSCGKSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(CC)nc2C)CCO1 ZINC000891562335 958462196 /nfs/dbraw/zinc/46/21/96/958462196.db2.gz MDTDUJDKMCHDPA-ZDUSSCGKSA-N 1 2 237.347 1.822 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@]12CCOC2 ZINC001348737309 958535285 /nfs/dbraw/zinc/53/52/85/958535285.db2.gz NSKMBLVGBQYXAA-ZDUSSCGKSA-N 1 2 249.314 1.124 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(N)cn2)[C@@H](C)CO1 ZINC000403916704 958930293 /nfs/dbraw/zinc/93/02/93/958930293.db2.gz HBXOGQXOMLMWEM-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(N)cn2)[C@@H](C)CO1 ZINC000403916704 958930303 /nfs/dbraw/zinc/93/03/03/958930303.db2.gz HBXOGQXOMLMWEM-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCc2occc2C1 ZINC001204592649 958984429 /nfs/dbraw/zinc/98/44/29/958984429.db2.gz OOYIQGXVWLGPGL-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO COCc1cc(NCc2cc[nH+]c(N)c2)ncn1 ZINC001167615124 959078458 /nfs/dbraw/zinc/07/84/58/959078458.db2.gz YTHMUYZTLPIEIF-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO Nc1cc(CNc2ccn3ncnc3c2)cc[nH+]1 ZINC001167616849 959085774 /nfs/dbraw/zinc/08/57/74/959085774.db2.gz BABVNLVVUZRMSN-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO Cc1nc(C)c(NCc2cc[nH+]c(N)c2)nc1C ZINC001167616957 959086179 /nfs/dbraw/zinc/08/61/79/959086179.db2.gz IALBVQVWCRWYBH-UHFFFAOYSA-N 1 2 243.314 1.991 20 0 BDADLO Cc1nccc(NCc2cc[nH+]c(N)c2)n1 ZINC001167617868 959092679 /nfs/dbraw/zinc/09/26/79/959092679.db2.gz ZDONGMUJZUNYHO-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO Cn1nnnc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085760 959107059 /nfs/dbraw/zinc/10/70/59/959107059.db2.gz WAQGBSGBBFIWCX-UHFFFAOYSA-N 1 2 241.258 1.344 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@H]2C2CCCC2)n[nH]1 ZINC001350358870 959110850 /nfs/dbraw/zinc/11/08/50/959110850.db2.gz NGYUSXBMNHHXJO-NSHDSACASA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@H+]2CCC[C@H]2C2CCCC2)n[nH]1 ZINC001350358870 959110856 /nfs/dbraw/zinc/11/08/56/959110856.db2.gz NGYUSXBMNHHXJO-NSHDSACASA-N 1 2 220.320 1.959 20 0 BDADLO [NH3+][C@H](CC(=O)NC1CCCCC1)C(F)F ZINC000724709375 959284929 /nfs/dbraw/zinc/28/49/29/959284929.db2.gz XFZIZRKIXBJLJX-MRVPVSSYSA-N 1 2 220.263 1.418 20 0 BDADLO [NH3+][C@H](CC(=O)NCC[C@H]1CC1(F)F)C(F)F ZINC000724738933 959326704 /nfs/dbraw/zinc/32/67/04/959326704.db2.gz JWZCZZFOYQDPQR-NTSWFWBYSA-N 1 2 242.216 1.130 20 0 BDADLO C=CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999463 959976266 /nfs/dbraw/zinc/97/62/66/959976266.db2.gz GKMHNQBHXDIVRM-SNVBAGLBSA-N 1 2 221.304 1.600 20 0 BDADLO OCC[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1 ZINC000694950588 960050853 /nfs/dbraw/zinc/05/08/53/960050853.db2.gz MUVANHBZJLTGOM-CYBMUJFWSA-N 1 2 239.290 1.409 20 0 BDADLO OCC[C@@H]1COCC[N@H+]1Cc1cccc(F)c1 ZINC000694950588 960050863 /nfs/dbraw/zinc/05/08/63/960050863.db2.gz MUVANHBZJLTGOM-CYBMUJFWSA-N 1 2 239.290 1.409 20 0 BDADLO CNc1cc(N2CCCC3(CC3)C2)nc[nH+]1 ZINC000695099882 960092535 /nfs/dbraw/zinc/09/25/35/960092535.db2.gz NOTNFRXRMZQTSL-UHFFFAOYSA-N 1 2 218.304 1.899 20 0 BDADLO CNc1cc(N2CCCC3(CC3)C2)[nH+]cn1 ZINC000695099882 960092547 /nfs/dbraw/zinc/09/25/47/960092547.db2.gz NOTNFRXRMZQTSL-UHFFFAOYSA-N 1 2 218.304 1.899 20 0 BDADLO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ncon2)c1 ZINC001353341260 960262110 /nfs/dbraw/zinc/26/21/10/960262110.db2.gz SCLZBPAEZQEUFS-JQWIXIFHSA-N 1 2 247.298 1.762 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@](O)(CF)CC2)n[nH]1 ZINC001203070106 960615855 /nfs/dbraw/zinc/61/58/55/960615855.db2.gz HMUFNLONDVXWRQ-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@](O)(CF)CC2)n[nH]1 ZINC001203070106 960615863 /nfs/dbraw/zinc/61/58/63/960615863.db2.gz HMUFNLONDVXWRQ-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cc(O)ccc3C2)[nH]n1 ZINC001203072870 960642943 /nfs/dbraw/zinc/64/29/43/960642943.db2.gz STZVWPXXOBUOQH-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cc(O)ccc3C2)[nH]n1 ZINC001203072870 960642955 /nfs/dbraw/zinc/64/29/55/960642955.db2.gz STZVWPXXOBUOQH-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO C[NH+]1CCN(Cc2ccc(O)c(F)c2F)CC1 ZINC001140889754 960666951 /nfs/dbraw/zinc/66/69/51/960666951.db2.gz KEXLYGKRNSQVOF-UHFFFAOYSA-N 1 2 242.269 1.418 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccon2)cc1N ZINC001140898474 960676275 /nfs/dbraw/zinc/67/62/75/960676275.db2.gz OSZSESANDAJWDN-UHFFFAOYSA-N 1 2 247.298 1.897 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccon2)cc1N ZINC001140898474 960676285 /nfs/dbraw/zinc/67/62/85/960676285.db2.gz OSZSESANDAJWDN-UHFFFAOYSA-N 1 2 247.298 1.897 20 0 BDADLO COc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)cc1N ZINC001140894755 960682083 /nfs/dbraw/zinc/68/20/83/960682083.db2.gz NDAGTBFTRNEWAS-JTQLQIEISA-N 1 2 248.326 1.831 20 0 BDADLO COc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)cc1N ZINC001140894755 960682084 /nfs/dbraw/zinc/68/20/84/960682084.db2.gz NDAGTBFTRNEWAS-JTQLQIEISA-N 1 2 248.326 1.831 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cnco2)C1 ZINC001140933126 960708459 /nfs/dbraw/zinc/70/84/59/960708459.db2.gz MAZMAPYJLMNSKT-SNVBAGLBSA-N 1 2 237.303 1.165 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cnco2)C1 ZINC001140933126 960708476 /nfs/dbraw/zinc/70/84/76/960708476.db2.gz MAZMAPYJLMNSKT-SNVBAGLBSA-N 1 2 237.303 1.165 20 0 BDADLO C[C@H]1C[C@@H](OCc2c[nH+]cn2C)CCO1 ZINC001222599741 960720939 /nfs/dbraw/zinc/72/09/39/960720939.db2.gz DMZRZWIGUBCIRR-ONGXEEELSA-N 1 2 210.277 1.504 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001140935336 960724057 /nfs/dbraw/zinc/72/40/57/960724057.db2.gz PBEKKKSBOQFMCJ-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccnc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001140935336 960724074 /nfs/dbraw/zinc/72/40/74/960724074.db2.gz PBEKKKSBOQFMCJ-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCCCC12COC2 ZINC001140937559 960724395 /nfs/dbraw/zinc/72/43/95/960724395.db2.gz NEEALDCJUYJQRR-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nccnc1C[N@H+]1CCCCC12COC2 ZINC001140937559 960724400 /nfs/dbraw/zinc/72/44/00/960724400.db2.gz NEEALDCJUYJQRR-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)n[nH]1 ZINC001203084166 960771593 /nfs/dbraw/zinc/77/15/93/960771593.db2.gz SDHRBYKWNPINPG-CMPLNLGQSA-N 1 2 233.315 1.519 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)n[nH]1 ZINC001203084166 960771610 /nfs/dbraw/zinc/77/16/10/960771610.db2.gz SDHRBYKWNPINPG-CMPLNLGQSA-N 1 2 233.315 1.519 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)n[nH]1 ZINC001203084168 960775268 /nfs/dbraw/zinc/77/52/68/960775268.db2.gz SDHRBYKWNPINPG-PWSUYJOCSA-N 1 2 233.315 1.519 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)n[nH]1 ZINC001203084168 960775282 /nfs/dbraw/zinc/77/52/82/960775282.db2.gz SDHRBYKWNPINPG-PWSUYJOCSA-N 1 2 233.315 1.519 20 0 BDADLO O=C1CC[N@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@@H]12 ZINC001203086209 960807365 /nfs/dbraw/zinc/80/73/65/960807365.db2.gz NVQIELNTRXSVKY-NEPJUHHUSA-N 1 2 233.315 1.743 20 0 BDADLO O=C1CC[N@@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@@H]12 ZINC001203086209 960807368 /nfs/dbraw/zinc/80/73/68/960807368.db2.gz NVQIELNTRXSVKY-NEPJUHHUSA-N 1 2 233.315 1.743 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2ncco2)C1 ZINC001141008427 960807370 /nfs/dbraw/zinc/80/73/70/960807370.db2.gz BXRLONBAIIZRDR-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2ncco2)C1 ZINC001141008427 960807371 /nfs/dbraw/zinc/80/73/71/960807371.db2.gz BXRLONBAIIZRDR-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3ncco3)CC2)no1 ZINC001141007719 960808352 /nfs/dbraw/zinc/80/83/52/960808352.db2.gz YDVGRBSLWZCZCY-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO c1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@H]1CO3)OCCO2 ZINC001141039603 960828795 /nfs/dbraw/zinc/82/87/95/960828795.db2.gz MUEUGNNDTTXOKZ-RYUDHWBXSA-N 1 2 247.294 1.431 20 0 BDADLO c1cc2c(cc1C[N@H+]1C[C@@H]3C[C@H]1CO3)OCCO2 ZINC001141039603 960828804 /nfs/dbraw/zinc/82/88/04/960828804.db2.gz MUEUGNNDTTXOKZ-RYUDHWBXSA-N 1 2 247.294 1.431 20 0 BDADLO c1cn2ccc(CN3CCOCC34CC4)cc2[nH+]1 ZINC001141047055 960832358 /nfs/dbraw/zinc/83/23/58/960832358.db2.gz WQPJOPAVGAOVOY-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1ccn2cc[nH+]c2c1 ZINC001141045953 960837052 /nfs/dbraw/zinc/83/70/52/960837052.db2.gz HAVHCYDLJWSFFG-SNVBAGLBSA-N 1 2 247.298 1.328 20 0 BDADLO CO[C@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@@H]1F ZINC001141047366 960837141 /nfs/dbraw/zinc/83/71/41/960837141.db2.gz HHUDJYBHQCNUMD-RYUDHWBXSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccn3ccnc3c2)C[C@@H]1F ZINC001141047366 960837150 /nfs/dbraw/zinc/83/71/50/960837150.db2.gz HHUDJYBHQCNUMD-RYUDHWBXSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccn3ccnc3c2)C[C@@H]1F ZINC001141047366 960837155 /nfs/dbraw/zinc/83/71/55/960837155.db2.gz HHUDJYBHQCNUMD-RYUDHWBXSA-N 1 2 249.289 1.503 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001141051630 960841907 /nfs/dbraw/zinc/84/19/07/960841907.db2.gz JHBGJCJXMWTYFB-VIFPVBQESA-N 1 2 222.288 1.784 20 0 BDADLO Cc1ncoc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001141051630 960841916 /nfs/dbraw/zinc/84/19/16/960841916.db2.gz JHBGJCJXMWTYFB-VIFPVBQESA-N 1 2 222.288 1.784 20 0 BDADLO CCCCc1[nH]c(CN(CC)C2COC2)c[nH+]1 ZINC001141072391 960857241 /nfs/dbraw/zinc/85/72/41/960857241.db2.gz VHYAFFLPUGFSOA-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cocn1 ZINC001141128751 960877083 /nfs/dbraw/zinc/87/70/83/960877083.db2.gz XHVQBLUYEINFGX-ZDUSSCGKSA-N 1 2 249.314 1.261 20 0 BDADLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cocn1 ZINC001141128751 960877085 /nfs/dbraw/zinc/87/70/85/960877085.db2.gz XHVQBLUYEINFGX-ZDUSSCGKSA-N 1 2 249.314 1.261 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC001141130186 960881963 /nfs/dbraw/zinc/88/19/63/960881963.db2.gz BGFAKHNYIYMUPZ-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC001141130186 960881965 /nfs/dbraw/zinc/88/19/65/960881965.db2.gz BGFAKHNYIYMUPZ-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO c1nc(C[NH+]2CC3(C2)CCOCC3)co1 ZINC001141130006 960882682 /nfs/dbraw/zinc/88/26/82/960882682.db2.gz QAPMFNDIHAPYAI-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO COC(=O)CC[N@H+](Cc1cocn1)C1CC1 ZINC001141132708 960887877 /nfs/dbraw/zinc/88/78/77/960887877.db2.gz PDFRRIDGDLCYTM-UHFFFAOYSA-N 1 2 224.260 1.202 20 0 BDADLO COC(=O)CC[N@@H+](Cc1cocn1)C1CC1 ZINC001141132708 960887883 /nfs/dbraw/zinc/88/78/83/960887883.db2.gz PDFRRIDGDLCYTM-UHFFFAOYSA-N 1 2 224.260 1.202 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCCC3)nc2n1CCOC2 ZINC001141526722 961099566 /nfs/dbraw/zinc/09/95/66/961099566.db2.gz MZSDRBKPLAQIRX-UHFFFAOYSA-N 1 2 247.342 1.789 20 0 BDADLO C[N@H+](CCc1cccc(F)c1)Cc1cnn[nH]1 ZINC001203211513 961311836 /nfs/dbraw/zinc/31/18/36/961311836.db2.gz HDMKMPVEFVRJKH-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1cccc(F)c1)Cc1cnn[nH]1 ZINC001203211513 961311858 /nfs/dbraw/zinc/31/18/58/961311858.db2.gz HDMKMPVEFVRJKH-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@H+](CCc1cccc(F)c1)Cc1c[nH]nn1 ZINC001203211513 961311866 /nfs/dbraw/zinc/31/18/66/961311866.db2.gz HDMKMPVEFVRJKH-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1cccc(F)c1)Cc1c[nH]nn1 ZINC001203211513 961311888 /nfs/dbraw/zinc/31/18/88/961311888.db2.gz HDMKMPVEFVRJKH-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO O=C([O-])c1ccsc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204675454 961400407 /nfs/dbraw/zinc/40/04/07/961400407.db2.gz NZHONFPUOKCWDT-UHFFFAOYSA-N 1 2 240.328 1.242 20 0 BDADLO O=C([O-])c1ccsc1C[N@H+]1CCC[NH2+]CC1 ZINC001204675454 961400415 /nfs/dbraw/zinc/40/04/15/961400415.db2.gz NZHONFPUOKCWDT-UHFFFAOYSA-N 1 2 240.328 1.242 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)C1=COCC1 ZINC001142561082 961499922 /nfs/dbraw/zinc/49/99/22/961499922.db2.gz VJYLXZYHZSRIOX-UHFFFAOYSA-N 1 2 247.298 1.529 20 0 BDADLO CC(C)/C=C/C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001142664687 961572759 /nfs/dbraw/zinc/57/27/59/961572759.db2.gz DUCZVYWLWUZFSV-ITKZLYELSA-N 1 2 240.347 1.036 20 0 BDADLO CC(C)/C=C/C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001142664687 961572775 /nfs/dbraw/zinc/57/27/75/961572775.db2.gz DUCZVYWLWUZFSV-ITKZLYELSA-N 1 2 240.347 1.036 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc2[nH]cnc21 ZINC001142690407 961628184 /nfs/dbraw/zinc/62/81/84/961628184.db2.gz UUXZIPUYOQBFOL-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc2[nH]cnc21 ZINC001142690407 961628193 /nfs/dbraw/zinc/62/81/93/961628193.db2.gz UUXZIPUYOQBFOL-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO c1nc2cccc(C[N@@H+]3CCOCC34CC4)c2[nH]1 ZINC001142692512 961631012 /nfs/dbraw/zinc/63/10/12/961631012.db2.gz HGKGFYUBDGSQCR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1nc2cccc(C[N@H+]3CCOCC34CC4)c2[nH]1 ZINC001142692512 961631038 /nfs/dbraw/zinc/63/10/38/961631038.db2.gz HGKGFYUBDGSQCR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO CC(=O)CCC(=O)Nc1cccc2[nH+]ccn21 ZINC001142744250 961697825 /nfs/dbraw/zinc/69/78/25/961697825.db2.gz IFDRCDYOEKWVQR-UHFFFAOYSA-N 1 2 231.255 1.642 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CCNC(=O)C2)c(C)c1 ZINC001142932117 961833974 /nfs/dbraw/zinc/83/39/74/961833974.db2.gz YFGBZMPWEZMMND-UHFFFAOYSA-N 1 2 248.326 1.244 20 0 BDADLO COc1cc(C)c(C[N@H+]2CCNC(=O)C2)c(C)c1 ZINC001142932117 961833980 /nfs/dbraw/zinc/83/39/80/961833980.db2.gz YFGBZMPWEZMMND-UHFFFAOYSA-N 1 2 248.326 1.244 20 0 BDADLO CCOC1C[NH+](Cc2cccc3nonc32)C1 ZINC001203129061 961865092 /nfs/dbraw/zinc/86/50/92/961865092.db2.gz ZUSRPCHMSJUHLR-UHFFFAOYSA-N 1 2 233.271 1.444 20 0 BDADLO c1nc(C[NH+]2CC3(CCC3)C2)cc2c1OCCO2 ZINC001143053842 961873474 /nfs/dbraw/zinc/87/34/74/961873474.db2.gz KVOUKMRCWZNNOO-UHFFFAOYSA-N 1 2 246.310 1.839 20 0 BDADLO COc1cc(C)cc(C[NH+]2CC(O)C2)c1 ZINC001143150532 961890966 /nfs/dbraw/zinc/89/09/66/961890966.db2.gz QFPXWPNRKGXUSF-UHFFFAOYSA-N 1 2 207.273 1.180 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cc3cccnc3[nH]2)C1 ZINC001143216662 961953477 /nfs/dbraw/zinc/95/34/77/961953477.db2.gz IVWIOXFIAQUSGN-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cc3cccnc3[nH]2)C1 ZINC001143216662 961953498 /nfs/dbraw/zinc/95/34/98/961953498.db2.gz IVWIOXFIAQUSGN-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO Cc1cnc(NC(=O)[C@@H](C)n2cc[nH+]c2)s1 ZINC000045877912 962071937 /nfs/dbraw/zinc/07/19/37/962071937.db2.gz ZCIKWVDSBXAWOU-MRVPVSSYSA-N 1 2 236.300 1.848 20 0 BDADLO CC[N@@H+]1CC[C@@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225559462 962258834 /nfs/dbraw/zinc/25/88/34/962258834.db2.gz PZKBBHHUKKIXFX-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO CC[N@H+]1CC[C@@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225559462 962258854 /nfs/dbraw/zinc/25/88/54/962258854.db2.gz PZKBBHHUKKIXFX-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001269061216 962436084 /nfs/dbraw/zinc/43/60/84/962436084.db2.gz GOAWVEPAVPCKLE-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001269061216 962436089 /nfs/dbraw/zinc/43/60/89/962436089.db2.gz GOAWVEPAVPCKLE-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000048573387 962435930 /nfs/dbraw/zinc/43/59/30/962435930.db2.gz SCBOFENUIFSHJK-MNOVXSKESA-N 1 2 247.298 1.785 20 0 BDADLO C[C@H]1CN(C(=O)c2c[nH]c3cc[nH+]cc23)C[C@@H]1O ZINC001152971041 962506595 /nfs/dbraw/zinc/50/65/95/962506595.db2.gz HZQBXHPALUWCLQ-UFBFGSQYSA-N 1 2 245.282 1.016 20 0 BDADLO Cc1cccc(C(=O)N2CC3(CC[N@H+]3C)C2)c1O ZINC001269608091 962728721 /nfs/dbraw/zinc/72/87/21/962728721.db2.gz SXMDKTOQHNEZBR-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1cccc(C(=O)N2CC3(CC[N@@H+]3C)C2)c1O ZINC001269608091 962728735 /nfs/dbraw/zinc/72/87/35/962728735.db2.gz SXMDKTOQHNEZBR-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO CCN(CC)c1cc(NCc2ncon2)[nH+]cn1 ZINC001154895995 962887518 /nfs/dbraw/zinc/88/75/18/962887518.db2.gz GJTDBGKXEUITPH-UHFFFAOYSA-N 1 2 248.290 1.318 20 0 BDADLO CCN(CC)c1cc(NCc2ncon2)nc[nH+]1 ZINC001154895995 962887523 /nfs/dbraw/zinc/88/75/23/962887523.db2.gz GJTDBGKXEUITPH-UHFFFAOYSA-N 1 2 248.290 1.318 20 0 BDADLO CSc1cc[nH+]c(NCCS(C)(=O)=O)c1 ZINC001154927539 962906312 /nfs/dbraw/zinc/90/63/12/962906312.db2.gz OURVUZRKXGCHQJ-UHFFFAOYSA-N 1 2 246.357 1.260 20 0 BDADLO C=Cc1ccc(NC[C@@H]2CCNC(=O)C2)[nH+]c1 ZINC001154935384 962912451 /nfs/dbraw/zinc/91/24/51/962912451.db2.gz ZGKWMFSEWVAUFO-LLVKDONJSA-N 1 2 231.299 1.663 20 0 BDADLO CCOc1ccc[nH+]c1NC[C@H]1CCNC(=O)C1 ZINC001154939419 962913965 /nfs/dbraw/zinc/91/39/65/962913965.db2.gz HRVCLAOPOSXMIX-JTQLQIEISA-N 1 2 249.314 1.418 20 0 BDADLO Cc1cc(NC2(C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC001155093787 962969308 /nfs/dbraw/zinc/96/93/08/962969308.db2.gz CQTBYJUNFQQSBL-UHFFFAOYSA-N 1 2 234.303 1.338 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2ccc(C3CC3)nn2)C1 ZINC001155195836 963019595 /nfs/dbraw/zinc/01/95/95/963019595.db2.gz DUVBPPVEELRKLB-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2ccc(C3CC3)nn2)C1 ZINC001155195836 963019607 /nfs/dbraw/zinc/01/96/07/963019607.db2.gz DUVBPPVEELRKLB-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO OC[C@H](O)CNc1cc(-c2ccccc2)cc[nH+]1 ZINC001155642720 963131324 /nfs/dbraw/zinc/13/13/24/963131324.db2.gz AKQZGVAXLZPNBD-CYBMUJFWSA-N 1 2 244.294 1.514 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](N)C2)[nH]1 ZINC001206658317 963153281 /nfs/dbraw/zinc/15/32/81/963153281.db2.gz VKOXAKUKEAVDRH-LLVKDONJSA-N 1 2 243.301 1.800 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@H](N)C2)[nH]1 ZINC001206658317 963153284 /nfs/dbraw/zinc/15/32/84/963153284.db2.gz VKOXAKUKEAVDRH-LLVKDONJSA-N 1 2 243.301 1.800 20 0 BDADLO CN(C)c1cc(NC2(C)CCC2)[nH+]cn1 ZINC001156067137 963244711 /nfs/dbraw/zinc/24/47/11/963244711.db2.gz KVWHGPKPGVSZSW-UHFFFAOYSA-N 1 2 206.293 1.897 20 0 BDADLO CN(C)c1cc(NC2(C)CCC2)nc[nH+]1 ZINC001156067137 963244725 /nfs/dbraw/zinc/24/47/25/963244725.db2.gz KVWHGPKPGVSZSW-UHFFFAOYSA-N 1 2 206.293 1.897 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@H]1CCC(=O)N1 ZINC001156151347 963266822 /nfs/dbraw/zinc/26/68/22/963266822.db2.gz LPFGFPPHSNXITH-SECBINFHSA-N 1 2 235.287 1.089 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@@H]1CCN(C)C1=O ZINC001156507690 963374238 /nfs/dbraw/zinc/37/42/38/963374238.db2.gz YHJOUJIUFYTZGE-SECBINFHSA-N 1 2 235.287 1.041 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@@H]1CCC(=O)N(C)C1 ZINC001156568275 963385449 /nfs/dbraw/zinc/38/54/49/963385449.db2.gz PGDIRFGZJNCQMS-SECBINFHSA-N 1 2 237.278 1.562 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@](C)(C(N)=O)C(C)C ZINC001156648779 963427319 /nfs/dbraw/zinc/42/73/19/963427319.db2.gz RCFQEAALFSIFPZ-LBPRGKRZSA-N 1 2 239.294 1.841 20 0 BDADLO C[C@H]1CCN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156972431 963501818 /nfs/dbraw/zinc/50/18/18/963501818.db2.gz OCPKETNTWFYKIX-ZETCQYMHSA-N 1 2 230.271 1.380 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccnc1NC ZINC000052721770 963518087 /nfs/dbraw/zinc/51/80/87/963518087.db2.gz AAOBUVSYPQYGML-LBPRGKRZSA-N 1 2 235.331 1.734 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccnc1NC ZINC000052721770 963518090 /nfs/dbraw/zinc/51/80/90/963518090.db2.gz AAOBUVSYPQYGML-LBPRGKRZSA-N 1 2 235.331 1.734 20 0 BDADLO CC=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157125316 963535014 /nfs/dbraw/zinc/53/50/14/963535014.db2.gz VIELXQBNQLCOTE-PLNGDYQASA-N 1 2 207.277 1.725 20 0 BDADLO C/C=C\C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157125316 963535017 /nfs/dbraw/zinc/53/50/17/963535017.db2.gz VIELXQBNQLCOTE-PLNGDYQASA-N 1 2 207.277 1.725 20 0 BDADLO OC1CC2(C[C@H]2Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000897089001 963541099 /nfs/dbraw/zinc/54/10/99/963541099.db2.gz CVYAPRMGRQMKSV-RUETXSTFSA-N 1 2 246.314 1.376 20 0 BDADLO OC1CC2(C[C@H]2Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000897089001 963541107 /nfs/dbraw/zinc/54/11/07/963541107.db2.gz CVYAPRMGRQMKSV-RUETXSTFSA-N 1 2 246.314 1.376 20 0 BDADLO [NH3+]CC1(C(=O)NO[C@H]2CCCCO2)CCCC1 ZINC000163239520 963581089 /nfs/dbraw/zinc/58/10/89/963581089.db2.gz UVFVMWBWDVPZMP-JTQLQIEISA-N 1 2 242.319 1.080 20 0 BDADLO CO[C@@H]1COCC[C@H]1Nc1[nH+]ccc(F)c1C ZINC001157409732 963602481 /nfs/dbraw/zinc/60/24/81/963602481.db2.gz KATRTVCIKNZQNZ-GHMZBOCLSA-N 1 2 240.278 1.745 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168074524 963611011 /nfs/dbraw/zinc/61/10/11/963611011.db2.gz JKUVLMXHZPQJDZ-NXEZZACHSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2C[C@H](F)C2)c1C(N)=O ZINC001157452912 963612652 /nfs/dbraw/zinc/61/26/52/963612652.db2.gz OGDMXJFSYXZZQI-KYZUINATSA-N 1 2 237.278 1.649 20 0 BDADLO CCc1cnc(N(CC)CCn2cc[nH+]c2)nc1 ZINC001157460678 963619768 /nfs/dbraw/zinc/61/97/68/963619768.db2.gz ZVVWYKXUIKTVST-UHFFFAOYSA-N 1 2 245.330 1.762 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2C[C@@](C)(O)C2)[nH+]1 ZINC001157553917 963658622 /nfs/dbraw/zinc/65/86/22/963658622.db2.gz GTJPIJSNSAVXPK-SWZMTVOYSA-N 1 2 246.314 1.839 20 0 BDADLO COc1cc(C)c[nH+]c1NCC1CC(=O)C1 ZINC001157609367 963676312 /nfs/dbraw/zinc/67/63/12/963676312.db2.gz UJLHAPQBCFWQRY-UHFFFAOYSA-N 1 2 220.272 1.790 20 0 BDADLO COCC[N@H+](CCF)Cc1cccc(O)c1 ZINC000697045212 963678110 /nfs/dbraw/zinc/67/81/10/963678110.db2.gz CASACCJEZKIMBV-UHFFFAOYSA-N 1 2 227.279 1.810 20 0 BDADLO COCC[N@@H+](CCF)Cc1cccc(O)c1 ZINC000697045212 963678114 /nfs/dbraw/zinc/67/81/14/963678114.db2.gz CASACCJEZKIMBV-UHFFFAOYSA-N 1 2 227.279 1.810 20 0 BDADLO CCOc1ccc[nH+]c1NCC1CC(=O)C1 ZINC001157611270 963680314 /nfs/dbraw/zinc/68/03/14/963680314.db2.gz OBWBMMCMQAPAMP-UHFFFAOYSA-N 1 2 220.272 1.871 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CC(C)(C)O2)[nH+]cn1 ZINC001157654693 963693067 /nfs/dbraw/zinc/69/30/67/963693067.db2.gz NCNZKTKLTZOBFI-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CC(C)(C)O2)nc[nH+]1 ZINC001157654693 963693072 /nfs/dbraw/zinc/69/30/72/963693072.db2.gz NCNZKTKLTZOBFI-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098734597 963759616 /nfs/dbraw/zinc/75/96/16/963759616.db2.gz QAQLGOBNTXBWRW-SECBINFHSA-N 1 2 236.319 1.502 20 0 BDADLO Cc1ccc([C@H](C)Nc2cc(N)nc[nH+]2)nc1 ZINC001158019870 963794087 /nfs/dbraw/zinc/79/40/87/963794087.db2.gz NVSOFMZHBSRUGB-VIFPVBQESA-N 1 2 229.287 1.935 20 0 BDADLO CCSc1cc[nH+]c(NCCC(N)=O)c1 ZINC001158113359 963810786 /nfs/dbraw/zinc/81/07/86/963810786.db2.gz WEUNTDAJYZQIEE-UHFFFAOYSA-N 1 2 225.317 1.481 20 0 BDADLO CSc1cc[nH+]c(NCCC(N)=O)c1 ZINC001158109656 963811479 /nfs/dbraw/zinc/81/14/79/963811479.db2.gz DXMKKQRJJPGJKE-UHFFFAOYSA-N 1 2 211.290 1.091 20 0 BDADLO CCCNc1ccc(CC(=O)OC)c[nH+]1 ZINC001168132090 963821374 /nfs/dbraw/zinc/82/13/74/963821374.db2.gz GXHDQWBRXMVXNZ-UHFFFAOYSA-N 1 2 208.261 1.619 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccc2occc2n1 ZINC001158706548 963905544 /nfs/dbraw/zinc/90/55/44/963905544.db2.gz ANWUPFUFRDNFPL-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccc2occc2n1 ZINC001158706548 963905551 /nfs/dbraw/zinc/90/55/51/963905551.db2.gz ANWUPFUFRDNFPL-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO Cc1cc(NC2(CO)COC2)[nH+]c2cc[nH]c21 ZINC001168179435 963927075 /nfs/dbraw/zinc/92/70/75/963927075.db2.gz IBEXQIXXMLDLBJ-UHFFFAOYSA-N 1 2 233.271 1.045 20 0 BDADLO Cn1cncc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001204387453 963953951 /nfs/dbraw/zinc/95/39/51/963953951.db2.gz HRIITZKLELDHCP-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cncc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001204387453 963953953 /nfs/dbraw/zinc/95/39/53/963953953.db2.gz HRIITZKLELDHCP-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001159000219 963973570 /nfs/dbraw/zinc/97/35/70/963973570.db2.gz JTHJJVFPGLYFRX-RYUDHWBXSA-N 1 2 245.326 1.899 20 0 BDADLO CCc1nc(N2C[C@@H]3CCCC(=O)[C@@H]3C2)cc[nH+]1 ZINC001158999916 963973777 /nfs/dbraw/zinc/97/37/77/963973777.db2.gz IXVZJMQQQDUAPN-WDEREUQCSA-N 1 2 245.326 1.844 20 0 BDADLO c1cc(-c2noc(C[NH+]3CCC3)n2)ccn1 ZINC001212095691 964258653 /nfs/dbraw/zinc/25/86/53/964258653.db2.gz UTIDDVIDWDHMBB-UHFFFAOYSA-N 1 2 216.244 1.337 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H](C)CO ZINC001160603098 964353011 /nfs/dbraw/zinc/35/30/11/964353011.db2.gz WKZUCZQPSHUFFV-SECBINFHSA-N 1 2 210.277 1.521 20 0 BDADLO CCC1([NH2+]c2ccc3[nH]c(=O)cc-3[nH]2)COC1 ZINC001168321998 964443226 /nfs/dbraw/zinc/44/32/26/964443226.db2.gz QELUTXTXFHUIFL-UHFFFAOYSA-N 1 2 233.271 1.167 20 0 BDADLO COc1nccnc1NCc1c[nH+]cn1C(C)C ZINC001161562767 964639658 /nfs/dbraw/zinc/63/96/58/964639658.db2.gz DYJQEBHRHOENHD-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO COc1cnnc(NCCCn2cc[nH+]c2)c1 ZINC001161681462 964685500 /nfs/dbraw/zinc/68/55/00/964685500.db2.gz ZRELGZZDNQKRED-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO c1cn2ccc(NC3CSC3)cc2[nH+]1 ZINC001168364953 964692424 /nfs/dbraw/zinc/69/24/24/964692424.db2.gz MBYYVNSSJMTUMS-UHFFFAOYSA-N 1 2 205.286 1.862 20 0 BDADLO Cc1ccc2cc(N[C@H](CO)[C@@H](C)O)[nH+]cc2c1 ZINC001161771006 964747100 /nfs/dbraw/zinc/74/71/00/964747100.db2.gz PHMFCBJJDAXQFN-ZWNOBZJWSA-N 1 2 246.310 1.697 20 0 BDADLO CC(C)COc1cc(NCC(N)=O)cc[nH+]1 ZINC001161847972 964789260 /nfs/dbraw/zinc/78/92/60/964789260.db2.gz HJOITRMWTFXLGD-UHFFFAOYSA-N 1 2 223.276 1.014 20 0 BDADLO CC[NH+](CC)c1ccc(C)c(NCC(N)=O)c1 ZINC001161847771 964791120 /nfs/dbraw/zinc/79/11/20/964791120.db2.gz DWYBPCHWPXZSOM-UHFFFAOYSA-N 1 2 235.331 1.738 20 0 BDADLO CNc1ccc(NCc2nccn2C)c[nH+]1 ZINC001161915145 964817151 /nfs/dbraw/zinc/81/71/51/964817151.db2.gz IKFDYMCTDNCJCW-UHFFFAOYSA-N 1 2 217.276 1.469 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1cccc(Cl)n1 ZINC001161945646 964823990 /nfs/dbraw/zinc/82/39/90/964823990.db2.gz MBQXHYJJDDBTLO-SSDOTTSWSA-N 1 2 243.694 1.037 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1nccc2ccoc21 ZINC001161946191 964830426 /nfs/dbraw/zinc/83/04/26/964830426.db2.gz RXNIHSAIWGOQKH-SECBINFHSA-N 1 2 249.270 1.130 20 0 BDADLO Cn1c[nH+]c2ccc(NCC3COC3)cc21 ZINC001161949457 964832272 /nfs/dbraw/zinc/83/22/72/964832272.db2.gz QVMDAURVHIPJMY-UHFFFAOYSA-N 1 2 217.272 1.632 20 0 BDADLO Cc1oncc1CNc1cc[nH+]c(C)n1 ZINC001162273013 964899449 /nfs/dbraw/zinc/89/94/49/964899449.db2.gz SUWWWAMHXOGHOE-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO C[Si](C)(C)c1ccc[nH+]c1NCc1ncon1 ZINC001162275967 964902530 /nfs/dbraw/zinc/90/25/30/964902530.db2.gz SOALXTKSGUZJBQ-UHFFFAOYSA-N 1 2 248.362 1.622 20 0 BDADLO Cc1cc(N[C@@H]2CCS(=O)(=O)C2)c[nH+]c1C ZINC001162500537 965002634 /nfs/dbraw/zinc/00/26/34/965002634.db2.gz YFWJDFVCXBPVER-SNVBAGLBSA-N 1 2 240.328 1.297 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)c1ccncc1 ZINC001162543599 965032259 /nfs/dbraw/zinc/03/22/59/965032259.db2.gz CDQWUCRXKAEGLI-NSHDSACASA-N 1 2 245.282 1.631 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1nccc2c1OCC(=O)N2 ZINC001162657621 965093639 /nfs/dbraw/zinc/09/36/39/965093639.db2.gz NCSXYPASBRCFDM-UHFFFAOYSA-N 1 2 248.286 1.848 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C=CCC1 ZINC000698247782 965139823 /nfs/dbraw/zinc/13/98/23/965139823.db2.gz HZDVHJGFRKXCOY-MRVPVSSYSA-N 1 2 215.260 1.494 20 0 BDADLO CC1(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C\Cl)CC1 ZINC001483653092 965379377 /nfs/dbraw/zinc/37/93/77/965379377.db2.gz NWCWABOQIPDGLO-RILPQGNRSA-N 1 2 242.750 1.730 20 0 BDADLO CC1(C(=O)NC[C@@H]2CC[N@H+]2C/C=C\Cl)CC1 ZINC001483653092 965379394 /nfs/dbraw/zinc/37/93/94/965379394.db2.gz NWCWABOQIPDGLO-RILPQGNRSA-N 1 2 242.750 1.730 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2ncc(F)cc2C)[nH]n1 ZINC001163508401 965421210 /nfs/dbraw/zinc/42/12/10/965421210.db2.gz SNBWRZHPFPCIRS-UHFFFAOYSA-N 1 2 248.265 1.592 20 0 BDADLO COc1cccnc1N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001163508250 965423099 /nfs/dbraw/zinc/42/30/99/965423099.db2.gz PGXXNCUWESYXAB-UHFFFAOYSA-N 1 2 246.274 1.153 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCCC[C@H]1CO ZINC001163553278 965448108 /nfs/dbraw/zinc/44/81/08/965448108.db2.gz PNQIAHXGFQGQCU-JTQLQIEISA-N 1 2 224.279 1.880 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC001163682108 965501442 /nfs/dbraw/zinc/50/14/42/965501442.db2.gz ZWBPQQSQRYCLRW-NXEZZACHSA-N 1 2 233.315 1.755 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@H](CO)[C@H]1C ZINC001164050181 965716999 /nfs/dbraw/zinc/71/69/99/965716999.db2.gz IGCVARGBLWXLHM-ZJUUUORDSA-N 1 2 224.279 1.736 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@H](O)CC[C@H]1C ZINC001164121745 965742191 /nfs/dbraw/zinc/74/21/91/965742191.db2.gz ZSQBCBTWKREZCV-PSASIEDQSA-N 1 2 224.279 1.879 20 0 BDADLO CCc1nc(N2C[C@@H](OC)[C@@H](F)C2)cc(C)[nH+]1 ZINC001164129928 965749791 /nfs/dbraw/zinc/74/97/91/965749791.db2.gz SWVLUTDINMHKIC-VHSXEESVSA-N 1 2 239.294 1.521 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@@H](C)[C@H](O)C1 ZINC001164273967 965815537 /nfs/dbraw/zinc/81/55/37/965815537.db2.gz ZIBGVKLBGXDRSM-GHMZBOCLSA-N 1 2 236.315 1.606 20 0 BDADLO Cc1nc(NCc2ccc3nonc3c2)cc[nH+]1 ZINC001164344300 965853708 /nfs/dbraw/zinc/85/37/08/965853708.db2.gz QIRRSTYGWVWCMF-UHFFFAOYSA-N 1 2 241.254 1.933 20 0 BDADLO Cc1nc(N2CC[C@@](C)(O)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001164351948 965856587 /nfs/dbraw/zinc/85/65/87/965856587.db2.gz DXNYOPUYYFNYHS-YMTOWFKASA-N 1 2 249.358 1.999 20 0 BDADLO FC1(F)C[NH2+]CCN(c2ccc(Cl)cn2)C1 ZINC001164488338 965896393 /nfs/dbraw/zinc/89/63/93/965896393.db2.gz DOUNLXXKJRWMIE-UHFFFAOYSA-N 1 2 247.676 1.780 20 0 BDADLO Cc1c[nH+]c(N2CC[C@](C)(O)C2)nc1NC1CC1 ZINC001165226707 965987289 /nfs/dbraw/zinc/98/72/89/965987289.db2.gz PQNBSCLPQOFHDH-ZDUSSCGKSA-N 1 2 248.330 1.320 20 0 BDADLO Cc1nc(N2CC[C@@](C)(O)C2)c2c([nH+]1)CCC2 ZINC001165229832 965996158 /nfs/dbraw/zinc/99/61/58/965996158.db2.gz SWXCRLLTULXMSC-CYBMUJFWSA-N 1 2 233.315 1.235 20 0 BDADLO Nc1cc(N2CCC3(C[C@H]3CCO)CC2)[nH+]cn1 ZINC001165260034 966010061 /nfs/dbraw/zinc/01/00/61/966010061.db2.gz GPUSKLGIQJSONG-SNVBAGLBSA-N 1 2 248.330 1.048 20 0 BDADLO C[C@@H](CCO)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001165893444 966194242 /nfs/dbraw/zinc/19/42/42/966194242.db2.gz KACIWGDYTJCTFV-NSHDSACASA-N 1 2 246.314 1.509 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@H](CO)C1 ZINC001166550930 966296548 /nfs/dbraw/zinc/29/65/48/966296548.db2.gz ZEFFIPUZWABOSM-JTQLQIEISA-N 1 2 222.288 1.217 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@@H](CO)C1 ZINC001166550932 966298146 /nfs/dbraw/zinc/29/81/46/966298146.db2.gz ZEFFIPUZWABOSM-SNVBAGLBSA-N 1 2 222.288 1.217 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@H]1CC=CCC1 ZINC001123929372 966312598 /nfs/dbraw/zinc/31/25/98/966312598.db2.gz ZXWLKTNWNITGAY-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO COc1ccc(Cl)c(C[N@H+](C)CCO)c1F ZINC001236256028 966327323 /nfs/dbraw/zinc/32/73/23/966327323.db2.gz JYMKLTLASCEFRA-UHFFFAOYSA-N 1 2 247.697 1.912 20 0 BDADLO COc1ccc(Cl)c(C[N@@H+](C)CCO)c1F ZINC001236256028 966327338 /nfs/dbraw/zinc/32/73/38/966327338.db2.gz JYMKLTLASCEFRA-UHFFFAOYSA-N 1 2 247.697 1.912 20 0 BDADLO Cc1cc2cc(N[C@@H]3CCN(C)C3=O)[nH+]cc2[nH]1 ZINC001166654413 966353353 /nfs/dbraw/zinc/35/33/53/966353353.db2.gz IZHDAOYBSXPZBB-SNVBAGLBSA-N 1 2 244.298 1.514 20 0 BDADLO Nc1[nH+]c(N2C[C@@H]3C[C@H]2CO3)ccc1Cl ZINC001166755045 966393086 /nfs/dbraw/zinc/39/30/86/966393086.db2.gz HFMIOYSUTDPFTM-BQBZGAKWSA-N 1 2 225.679 1.295 20 0 BDADLO Cc1c(F)cc[nH+]c1N(C)CCC1OCCO1 ZINC001167027379 966523928 /nfs/dbraw/zinc/52/39/28/966523928.db2.gz BVCHAWMCIVHSSC-UHFFFAOYSA-N 1 2 240.278 1.728 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccc(C)o2)C1 ZINC001203290324 966605205 /nfs/dbraw/zinc/60/52/05/966605205.db2.gz GMXHFCGXDWYTTQ-UHFFFAOYSA-N 1 2 209.245 1.193 20 0 BDADLO Cc1ccc(Nc2oncc2C(N)=O)c(C)[nH+]1 ZINC001203368690 966618168 /nfs/dbraw/zinc/61/81/68/966618168.db2.gz DSLXSNNVQBIOLL-UHFFFAOYSA-N 1 2 232.243 1.529 20 0 BDADLO CNc1ccc(Nc2cc(C)n(C)n2)c[nH+]1 ZINC001203447816 966636684 /nfs/dbraw/zinc/63/66/84/966636684.db2.gz QBTGEERPPRBGQK-UHFFFAOYSA-N 1 2 217.276 1.909 20 0 BDADLO CNc1ccc(Nc2cnn(CCO)c2)c[nH+]1 ZINC001203449626 966658224 /nfs/dbraw/zinc/65/82/24/966658224.db2.gz LFQLUFMNDMXXNW-UHFFFAOYSA-N 1 2 233.275 1.056 20 0 BDADLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237417447 966658604 /nfs/dbraw/zinc/65/86/04/966658604.db2.gz SZHQZLCCRPJMKX-STQMWFEESA-N 1 2 246.310 1.618 20 0 BDADLO CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237417447 966658613 /nfs/dbraw/zinc/65/86/13/966658613.db2.gz SZHQZLCCRPJMKX-STQMWFEESA-N 1 2 246.310 1.618 20 0 BDADLO Cc1ncncc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001238164087 966728447 /nfs/dbraw/zinc/72/84/47/966728447.db2.gz JOVLPCRMHCSXDJ-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nocc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001127729540 966769679 /nfs/dbraw/zinc/76/96/79/966769679.db2.gz CBZGQFCCKHZDIR-UHFFFAOYSA-N 1 2 217.228 1.361 20 0 BDADLO Cc1nc(NC[C@@H](C)NC(=O)CC2CC2)cc[nH+]1 ZINC001107605265 966807248 /nfs/dbraw/zinc/80/72/48/966807248.db2.gz DEHDTCFHOXAYGW-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO COc1ccc(C[NH+]2CC3(CCO3)C2)cc1C ZINC001203899717 966815563 /nfs/dbraw/zinc/81/55/63/966815563.db2.gz UGOVHNAKAHSDTQ-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)NC(=O)CO2 ZINC001239093760 966822931 /nfs/dbraw/zinc/82/29/31/966822931.db2.gz HUKUWCWWQRBTSP-UHFFFAOYSA-N 1 2 241.250 1.662 20 0 BDADLO COc1ccc(C(N)=O)cc1-c1ccc[nH+]c1N ZINC001205207095 966843057 /nfs/dbraw/zinc/84/30/57/966843057.db2.gz RCZRADXUJXZTAX-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO FC1CN(C2C[NH+](Cc3ccsc3)C2)C1 ZINC001204034364 966859889 /nfs/dbraw/zinc/85/98/89/966859889.db2.gz IDWUCSXFIUMQOO-UHFFFAOYSA-N 1 2 226.320 1.586 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2ccc(C)s2)C1 ZINC001204033294 966860546 /nfs/dbraw/zinc/86/05/46/966860546.db2.gz PBZIMLNTBFYJJP-UHFFFAOYSA-N 1 2 238.356 1.719 20 0 BDADLO O=C1C[N@H+](Cc2c[nH]c3ccccc23)CCN1 ZINC001204041418 966865246 /nfs/dbraw/zinc/86/52/46/966865246.db2.gz LITLFMURVUOTTL-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO O=C1C[N@@H+](Cc2c[nH]c3ccccc23)CCN1 ZINC001204041418 966865251 /nfs/dbraw/zinc/86/52/51/966865251.db2.gz LITLFMURVUOTTL-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)no1 ZINC001272771648 966884348 /nfs/dbraw/zinc/88/43/48/966884348.db2.gz AKWRWLYPCPPVTB-ZDUSSCGKSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)no1 ZINC001272771648 966884353 /nfs/dbraw/zinc/88/43/53/966884353.db2.gz AKWRWLYPCPPVTB-ZDUSSCGKSA-N 1 2 249.314 1.180 20 0 BDADLO COc1cc(C[N@@H+]2CCCC(=O)CC2)ccc1O ZINC001204111579 966892939 /nfs/dbraw/zinc/89/29/39/966892939.db2.gz CCMOBFLWJPZHAV-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO COc1cc(C[N@H+]2CCCC(=O)CC2)ccc1O ZINC001204111579 966892942 /nfs/dbraw/zinc/89/29/42/966892942.db2.gz CCMOBFLWJPZHAV-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO O[C@H]1C[N@H+](Cc2c(F)cccc2F)CC[C@@H]1F ZINC001204202412 966922616 /nfs/dbraw/zinc/92/26/16/966922616.db2.gz BPRROUBGAPUSHP-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@@H]1F ZINC001204202412 966922626 /nfs/dbraw/zinc/92/26/26/966922626.db2.gz BPRROUBGAPUSHP-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO CCn1ccc(C[N@H+](C)CCOCC2CC2)n1 ZINC001204324077 966970957 /nfs/dbraw/zinc/97/09/57/966970957.db2.gz QSJBKENNMMDVJE-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO CCn1ccc(C[N@@H+](C)CCOCC2CC2)n1 ZINC001204324077 966970962 /nfs/dbraw/zinc/97/09/62/966970962.db2.gz QSJBKENNMMDVJE-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccncc2)cc1 ZINC001239611571 967044711 /nfs/dbraw/zinc/04/47/11/967044711.db2.gz ZNLUOKLHHPPDLK-CYBMUJFWSA-N 1 2 242.278 1.921 20 0 BDADLO COC(=O)CC[N@H+](Cc1nccs1)C1CC1 ZINC001204551026 967050152 /nfs/dbraw/zinc/05/01/52/967050152.db2.gz YSGFMPBMKWPPDB-UHFFFAOYSA-N 1 2 240.328 1.671 20 0 BDADLO COC(=O)CC[N@@H+](Cc1nccs1)C1CC1 ZINC001204551026 967050166 /nfs/dbraw/zinc/05/01/66/967050166.db2.gz YSGFMPBMKWPPDB-UHFFFAOYSA-N 1 2 240.328 1.671 20 0 BDADLO Cc1cc(-n2nc3cccnc3c2N)c[nH+]c1N ZINC001249778751 967053564 /nfs/dbraw/zinc/05/35/64/967053564.db2.gz KEDPJXFLQAJPBH-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cnn1C ZINC001204577553 967062977 /nfs/dbraw/zinc/06/29/77/967062977.db2.gz ZLIVDVBBEGGEJF-VXGBXAGGSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cnn1C ZINC001204577553 967062992 /nfs/dbraw/zinc/06/29/92/967062992.db2.gz ZLIVDVBBEGGEJF-VXGBXAGGSA-N 1 2 221.304 1.092 20 0 BDADLO Nc1cc2cn(-c3ccc[nH+]c3N)nc2cc1F ZINC001212404040 967064181 /nfs/dbraw/zinc/06/41/81/967064181.db2.gz IROMQPJTWZAWJX-UHFFFAOYSA-N 1 2 243.245 1.724 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCOC2(CC2)C1 ZINC001204583388 967075751 /nfs/dbraw/zinc/07/57/51/967075751.db2.gz QBAZUHHCBUMERR-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCOC2(CC2)C1 ZINC001204583388 967075761 /nfs/dbraw/zinc/07/57/61/967075761.db2.gz QBAZUHHCBUMERR-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCCCC12COC2 ZINC001204578659 967076691 /nfs/dbraw/zinc/07/66/91/967076691.db2.gz NEQYMOOKHMQBHQ-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCCCC12COC2 ZINC001204578659 967076702 /nfs/dbraw/zinc/07/67/02/967076702.db2.gz NEQYMOOKHMQBHQ-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Clc1ncsc1C[NH+]1CC(C2COC2)C1 ZINC001137817345 967104349 /nfs/dbraw/zinc/10/43/49/967104349.db2.gz OBPWIYAPVZSSKM-UHFFFAOYSA-N 1 2 244.747 1.875 20 0 BDADLO CCOC(=O)C(=O)Cc1ccc(C)[nH+]c1C ZINC001249914753 967153541 /nfs/dbraw/zinc/15/35/41/967153541.db2.gz PXRLPDCFPQFEAL-UHFFFAOYSA-N 1 2 221.256 1.373 20 0 BDADLO Cc1nc(Nc2ccn3cc[nH+]c3c2)cc(=O)[nH]1 ZINC001204950967 967249177 /nfs/dbraw/zinc/24/91/77/967249177.db2.gz KCMYJXBVJMKQPN-UHFFFAOYSA-N 1 2 241.254 1.882 20 0 BDADLO OCc1ccc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204966842 967266349 /nfs/dbraw/zinc/26/63/49/967266349.db2.gz ZNGSSDBXZBXING-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC001485838187 967268476 /nfs/dbraw/zinc/26/84/76/967268476.db2.gz AQWRCLPZDXKFJG-SFYZADRCSA-N 1 2 242.348 1.056 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCc2ncccc2C1 ZINC001205137946 967380936 /nfs/dbraw/zinc/38/09/36/967380936.db2.gz HUMXLGCOVDOYQB-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1ccnc1C[N@H+]1CCc2ncccc2C1 ZINC001205137946 967380948 /nfs/dbraw/zinc/38/09/48/967380948.db2.gz HUMXLGCOVDOYQB-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1nccn1C ZINC001205144101 967389356 /nfs/dbraw/zinc/38/93/56/967389356.db2.gz VBGJPLILTBJVLH-UHFFFAOYSA-N 1 2 233.319 1.139 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1nccn1C ZINC001205144101 967389367 /nfs/dbraw/zinc/38/93/67/967389367.db2.gz VBGJPLILTBJVLH-UHFFFAOYSA-N 1 2 233.319 1.139 20 0 BDADLO Cn1cc(OC(=O)CCCn2cc[nH+]c2)cn1 ZINC001128290984 967464269 /nfs/dbraw/zinc/46/42/69/967464269.db2.gz KHPNUUOEHSWZDK-UHFFFAOYSA-N 1 2 234.259 1.002 20 0 BDADLO Nc1ccc[nH+]c1Nc1ccc2c(c1)NC(=O)C2 ZINC001250311909 967659970 /nfs/dbraw/zinc/65/99/70/967659970.db2.gz LHXKYOWJBLAOHW-UHFFFAOYSA-N 1 2 240.266 1.902 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)cn1 ZINC001205514232 967662322 /nfs/dbraw/zinc/66/23/22/967662322.db2.gz ZNVXNXVGVZFGHH-JQWIXIFHSA-N 1 2 241.310 1.055 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)cn1 ZINC001205514232 967662341 /nfs/dbraw/zinc/66/23/41/967662341.db2.gz ZNVXNXVGVZFGHH-JQWIXIFHSA-N 1 2 241.310 1.055 20 0 BDADLO c1cn(CCc2ccc3ncnn3c2)c[nH+]1 ZINC001250315864 967678784 /nfs/dbraw/zinc/67/87/84/967678784.db2.gz USWJXFOCJCNMRD-UHFFFAOYSA-N 1 2 213.244 1.169 20 0 BDADLO c1cn(CCc2cnn([C@@H]3CCOC3)c2)c[nH+]1 ZINC001250316361 967680456 /nfs/dbraw/zinc/68/04/56/967680456.db2.gz LOKRZZLMNSBMKE-GFCCVEGCSA-N 1 2 232.287 1.284 20 0 BDADLO O=C1COc2ccc(CCn3cc[nH+]c3)cc2N1 ZINC001250316188 967682188 /nfs/dbraw/zinc/68/21/88/967682188.db2.gz CYDCYYXVNQRHEP-UHFFFAOYSA-N 1 2 243.266 1.457 20 0 BDADLO Cc1c(F)nccc1CCn1cc[nH+]c1 ZINC001250319542 967693218 /nfs/dbraw/zinc/69/32/18/967693218.db2.gz USBRVOMIJBYNGK-UHFFFAOYSA-N 1 2 205.236 1.968 20 0 BDADLO COc1cnc(F)cc1CCn1cc[nH+]c1 ZINC001250319491 967694794 /nfs/dbraw/zinc/69/47/94/967694794.db2.gz FTOOQRVMWCWMOT-UHFFFAOYSA-N 1 2 221.235 1.669 20 0 BDADLO COCCOc1ccc(CCn2cc[nH+]c2)cn1 ZINC001250319960 967695954 /nfs/dbraw/zinc/69/59/54/967695954.db2.gz GYKMSABBQUNMPG-UHFFFAOYSA-N 1 2 247.298 1.546 20 0 BDADLO COc1cncc(CCn2cc[nH+]c2)c1C ZINC001250320865 967698936 /nfs/dbraw/zinc/69/89/36/967698936.db2.gz RGEJWMDZTCUFIE-UHFFFAOYSA-N 1 2 217.272 1.838 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205599475 967717727 /nfs/dbraw/zinc/71/77/27/967717727.db2.gz RGHJBVUSHQJFCW-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205599475 967717735 /nfs/dbraw/zinc/71/77/35/967717735.db2.gz RGHJBVUSHQJFCW-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001205769987 967819017 /nfs/dbraw/zinc/81/90/17/967819017.db2.gz JPZZCGWVOBAZJZ-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001205769987 967819019 /nfs/dbraw/zinc/81/90/19/967819019.db2.gz JPZZCGWVOBAZJZ-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO CNc1ccc(Cc2cc(C)nn2C)c[nH+]1 ZINC001250418635 967826548 /nfs/dbraw/zinc/82/65/48/967826548.db2.gz ZGIBXVMUIRUHLK-UHFFFAOYSA-N 1 2 216.288 1.756 20 0 BDADLO CN(C)c1ccc2[nH]c([C@H]3CCC(=O)N3)[nH+]c2c1 ZINC001250434649 967853356 /nfs/dbraw/zinc/85/33/56/967853356.db2.gz MPEJSVVDFOZEQB-SNVBAGLBSA-N 1 2 244.298 1.580 20 0 BDADLO Cc1cnccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001205857491 967856838 /nfs/dbraw/zinc/85/68/38/967856838.db2.gz FKFBXZAJZONCKB-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1cnccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001205857491 967856843 /nfs/dbraw/zinc/85/68/43/967856843.db2.gz FKFBXZAJZONCKB-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1cnccc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001205857491 967856846 /nfs/dbraw/zinc/85/68/46/967856846.db2.gz FKFBXZAJZONCKB-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO CC[C@@H](CO)Nc1nc(C)[nH+]c2c1CCC2 ZINC001163045809 967982149 /nfs/dbraw/zinc/98/21/49/967982149.db2.gz ZFZUWKNIVRRSCX-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001206082076 968052602 /nfs/dbraw/zinc/05/26/02/968052602.db2.gz XXMOIRSGEXCKGY-SNVBAGLBSA-N 1 2 208.261 1.394 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001206082076 968052613 /nfs/dbraw/zinc/05/26/13/968052613.db2.gz XXMOIRSGEXCKGY-SNVBAGLBSA-N 1 2 208.261 1.394 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@@H]1F ZINC001206144707 968087399 /nfs/dbraw/zinc/08/73/99/968087399.db2.gz XYOQHCQBTFWFPH-VHSXEESVSA-N 1 2 244.335 1.929 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@@H]1F ZINC001206144707 968087409 /nfs/dbraw/zinc/08/74/09/968087409.db2.gz XYOQHCQBTFWFPH-VHSXEESVSA-N 1 2 244.335 1.929 20 0 BDADLO CNc1ccc(Nc2cncc(C(N)=O)c2)c[nH+]1 ZINC001203448989 968101353 /nfs/dbraw/zinc/10/13/53/968101353.db2.gz UIXYTELWHDNDHX-UHFFFAOYSA-N 1 2 243.270 1.361 20 0 BDADLO C[C@H](OC1C[NH+](C)C1)C(=O)OC(C)(C)C ZINC001206241058 968160584 /nfs/dbraw/zinc/16/05/84/968160584.db2.gz CJUGRRBSHWHSNL-QMMMGPOBSA-N 1 2 215.293 1.047 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cccnc2)c2ncnn21 ZINC001118628694 968192079 /nfs/dbraw/zinc/19/20/79/968192079.db2.gz NCELZWGTVCYQKI-ONGXEEELSA-N 1 2 229.287 1.469 20 0 BDADLO COc1cccc([C@@H](O)CNc2[nH+]c[nH]c2C)c1 ZINC001250702313 968199795 /nfs/dbraw/zinc/19/97/95/968199795.db2.gz MYFZZYGVEQTCSD-LBPRGKRZSA-N 1 2 247.298 1.872 20 0 BDADLO C[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001251974968 968417177 /nfs/dbraw/zinc/41/71/77/968417177.db2.gz XKDSQMYWXDFSMU-VHSXEESVSA-N 1 2 245.363 1.713 20 0 BDADLO C=CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000820437475 968472110 /nfs/dbraw/zinc/47/21/10/968472110.db2.gz MBUOFYFPYDAERC-UHFFFAOYSA-N 1 2 219.288 1.064 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cs1 ZINC001206798977 968483171 /nfs/dbraw/zinc/48/31/71/968483171.db2.gz SWKAGKKVXFHJBD-GHMZBOCLSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3OCC[C@H]32)cs1 ZINC001206798977 968483175 /nfs/dbraw/zinc/48/31/75/968483175.db2.gz SWKAGKKVXFHJBD-GHMZBOCLSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCOC2=O)cc1 ZINC001119974905 968492446 /nfs/dbraw/zinc/49/24/46/968492446.db2.gz ODUYSHHUZWQEOO-YPMHNXCESA-N 1 2 233.311 1.831 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCc3cnn(C)c3C2)c1 ZINC001206854464 968502678 /nfs/dbraw/zinc/50/26/78/968502678.db2.gz ZTJFDDGBFHDHBF-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccnc(C[N@H+]2CCc3cnn(C)c3C2)c1 ZINC001206854464 968502684 /nfs/dbraw/zinc/50/26/84/968502684.db2.gz ZTJFDDGBFHDHBF-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO c1cnc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)nc1 ZINC001207011815 968550301 /nfs/dbraw/zinc/55/03/01/968550301.db2.gz KDFNDLXRFJANIH-MNOVXSKESA-N 1 2 219.288 1.087 20 0 BDADLO c1cnc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)nc1 ZINC001207011815 968550310 /nfs/dbraw/zinc/55/03/10/968550310.db2.gz KDFNDLXRFJANIH-MNOVXSKESA-N 1 2 219.288 1.087 20 0 BDADLO Fc1cccnc1C[NH+]1CC2(C1)CCCOC2 ZINC001207030269 968563045 /nfs/dbraw/zinc/56/30/45/968563045.db2.gz ZAEIZCWPJVAHQK-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO Fc1ccc(CN2CCn3c[nH+]cc3C2)nc1 ZINC001207041322 968574836 /nfs/dbraw/zinc/57/48/36/968574836.db2.gz VUWJZCFWPZKZFC-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO CC1(O)CC[NH+](Cc2ncc3ccccn32)CC1 ZINC001207049664 968579446 /nfs/dbraw/zinc/57/94/46/968579446.db2.gz ZOQYTQBWNZODBK-UHFFFAOYSA-N 1 2 245.326 1.681 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207054719 968586226 /nfs/dbraw/zinc/58/62/26/968586226.db2.gz QFXIIXHHGQHOAM-LBPRGKRZSA-N 1 2 243.310 1.745 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207054719 968586234 /nfs/dbraw/zinc/58/62/34/968586234.db2.gz QFXIIXHHGQHOAM-LBPRGKRZSA-N 1 2 243.310 1.745 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1ncc2ccccn21 ZINC001207055435 968588231 /nfs/dbraw/zinc/58/82/31/968588231.db2.gz XGUGRFCXEWZHTQ-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1ncc2ccccn21 ZINC001207055435 968588241 /nfs/dbraw/zinc/58/82/41/968588241.db2.gz XGUGRFCXEWZHTQ-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO O=c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC001207064813 968594117 /nfs/dbraw/zinc/59/41/17/968594117.db2.gz DHUCGSOKFOYJEJ-PHIMTYICSA-N 1 2 220.272 1.150 20 0 BDADLO O=c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC001207064813 968594127 /nfs/dbraw/zinc/59/41/27/968594127.db2.gz DHUCGSOKFOYJEJ-PHIMTYICSA-N 1 2 220.272 1.150 20 0 BDADLO O=c1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)[nH]1 ZINC001207070455 968600366 /nfs/dbraw/zinc/60/03/66/968600366.db2.gz SALMQSCTDFZZMM-LBPRGKRZSA-N 1 2 234.299 1.398 20 0 BDADLO O=c1cccc(C[N@H+]2CCOC[C@H]2C2CC2)[nH]1 ZINC001207070455 968600370 /nfs/dbraw/zinc/60/03/70/968600370.db2.gz SALMQSCTDFZZMM-LBPRGKRZSA-N 1 2 234.299 1.398 20 0 BDADLO CCc1nccc(CN2CCn3c[nH+]cc3C2)n1 ZINC001207088572 968620895 /nfs/dbraw/zinc/62/08/95/968620895.db2.gz QRZHEYXIAQFEKU-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO Cc1ncccc1C[N@@H+](C)C1(C)COC1 ZINC001207155544 968666449 /nfs/dbraw/zinc/66/64/49/968666449.db2.gz YOTKOHNQLPBXKX-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ncccc1C[N@H+](C)C1(C)COC1 ZINC001207155544 968666451 /nfs/dbraw/zinc/66/64/51/968666451.db2.gz YOTKOHNQLPBXKX-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO OC[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC001207461189 968784762 /nfs/dbraw/zinc/78/47/62/968784762.db2.gz KWYPECCRDCIURR-MNOVXSKESA-N 1 2 249.301 1.363 20 0 BDADLO OC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC001207461189 968784769 /nfs/dbraw/zinc/78/47/69/968784769.db2.gz KWYPECCRDCIURR-MNOVXSKESA-N 1 2 249.301 1.363 20 0 BDADLO F[C@H]1C[N@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC001207846649 968898853 /nfs/dbraw/zinc/89/88/53/968898853.db2.gz KWNJJLRDYDVIKS-IUCAKERBSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC001207846649 968898855 /nfs/dbraw/zinc/89/88/55/968898855.db2.gz KWNJJLRDYDVIKS-IUCAKERBSA-N 1 2 223.238 1.845 20 0 BDADLO Cc1cc(F)cnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001155193403 968922302 /nfs/dbraw/zinc/92/23/02/968922302.db2.gz GMZYBODJSHGXBU-LLVKDONJSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(F)cnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001155193403 968922306 /nfs/dbraw/zinc/92/23/06/968922306.db2.gz GMZYBODJSHGXBU-LLVKDONJSA-N 1 2 239.294 1.272 20 0 BDADLO Nc1[nH+]cccc1-c1cc(CO)ccc1F ZINC001241150440 968937936 /nfs/dbraw/zinc/93/79/36/968937936.db2.gz AAHNTZAKBAGPND-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO C[N@H+](CC(F)F)CC1(C)CCOCC1 ZINC001208083227 968989889 /nfs/dbraw/zinc/98/98/89/968989889.db2.gz SGAYPYOQSQOYRG-UHFFFAOYSA-N 1 2 207.264 2.000 20 0 BDADLO C[N@@H+](CC(F)F)CC1(C)CCOCC1 ZINC001208083227 968989893 /nfs/dbraw/zinc/98/98/93/968989893.db2.gz SGAYPYOQSQOYRG-UHFFFAOYSA-N 1 2 207.264 2.000 20 0 BDADLO COC[C@@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252809728 968998803 /nfs/dbraw/zinc/99/88/03/968998803.db2.gz OGUWTMSRIFNICT-JTQLQIEISA-N 1 2 235.287 1.062 20 0 BDADLO COC[C@@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001252820022 969019783 /nfs/dbraw/zinc/01/97/83/969019783.db2.gz FXBCMURXLDVDJJ-ZDUSSCGKSA-N 1 2 247.298 1.292 20 0 BDADLO CC1=C[C@H](C)[C@H](C[NH+]2CC(F)(CO)C2)CC1 ZINC001208163020 969094447 /nfs/dbraw/zinc/09/44/47/969094447.db2.gz UAUMFHMAGZWIOM-RYUDHWBXSA-N 1 2 227.323 1.995 20 0 BDADLO O=C1NCc2cc(-c3[nH]cc[nH+]3)ccc2N1 ZINC001242018020 969172945 /nfs/dbraw/zinc/17/29/45/969172945.db2.gz AVFSBBWBIDJPSQ-UHFFFAOYSA-N 1 2 214.228 1.712 20 0 BDADLO CCCOC1C[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC001253453348 969180525 /nfs/dbraw/zinc/18/05/25/969180525.db2.gz DJXGDMBTSCCVDY-NSHDSACASA-N 1 2 245.363 1.273 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001208709591 969200067 /nfs/dbraw/zinc/20/00/67/969200067.db2.gz BHKKBWCQNOWKAX-HTQZYQBOSA-N 1 2 239.237 1.475 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001208709591 969200070 /nfs/dbraw/zinc/20/00/70/969200070.db2.gz BHKKBWCQNOWKAX-HTQZYQBOSA-N 1 2 239.237 1.475 20 0 BDADLO NC(=O)CCNc1[nH+]cccc1-n1cccc1 ZINC001168952577 969292270 /nfs/dbraw/zinc/29/22/70/969292270.db2.gz KPJRWZHWBNCUNE-UHFFFAOYSA-N 1 2 230.271 1.160 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+]1CCN(CC)C(=O)C1 ZINC001208920159 969304826 /nfs/dbraw/zinc/30/48/26/969304826.db2.gz IXCLSHAFNWJOMO-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+]1CCN(CC)C(=O)C1 ZINC001208920159 969304835 /nfs/dbraw/zinc/30/48/35/969304835.db2.gz IXCLSHAFNWJOMO-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC(=O)N1CCC[C@@H](C[N@H+](C)CC(F)F)C1 ZINC001208974620 969316178 /nfs/dbraw/zinc/31/61/78/969316178.db2.gz TZUOOTZDJHZQGW-JTQLQIEISA-N 1 2 234.290 1.442 20 0 BDADLO CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(F)F)C1 ZINC001208974620 969316182 /nfs/dbraw/zinc/31/61/82/969316182.db2.gz TZUOOTZDJHZQGW-JTQLQIEISA-N 1 2 234.290 1.442 20 0 BDADLO Cn1cnc(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169005064 969329906 /nfs/dbraw/zinc/32/99/06/969329906.db2.gz PTSYIBDDUKTEPO-UHFFFAOYSA-N 1 2 241.298 1.722 20 0 BDADLO Cc1cccc(C(=O)NCCc2[nH+]ccn2C)n1 ZINC000169935129 969359906 /nfs/dbraw/zinc/35/99/06/969359906.db2.gz JSGLEMCZFKQSQD-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CC(C)Oc1ccc[nH+]c1NCC1OCCO1 ZINC001169067096 969379492 /nfs/dbraw/zinc/37/94/92/969379492.db2.gz OPROTHCESOYOFL-UHFFFAOYSA-N 1 2 238.287 1.654 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](CCCc2ccncc2)CCO1 ZINC001209191827 969383028 /nfs/dbraw/zinc/38/30/28/969383028.db2.gz PVFCDOFTMMPSHM-AWEZNQCLSA-N 1 2 248.326 1.304 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](CCCc2ccncc2)CCO1 ZINC001209191827 969383036 /nfs/dbraw/zinc/38/30/36/969383036.db2.gz PVFCDOFTMMPSHM-AWEZNQCLSA-N 1 2 248.326 1.304 20 0 BDADLO CC(C)Oc1cc(N[C@H]2COC(=O)C2)cc[nH+]1 ZINC001169121836 969416935 /nfs/dbraw/zinc/41/69/35/969416935.db2.gz RUNFAQWXAHEJQM-SNVBAGLBSA-N 1 2 236.271 1.596 20 0 BDADLO CCCc1nnc(CCc2c[nH]c[nH+]2)o1 ZINC001253957873 969430462 /nfs/dbraw/zinc/43/04/62/969430462.db2.gz SZQQSCOKIOSXHI-UHFFFAOYSA-N 1 2 206.249 1.530 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(C)c(C)c2)C[NH2+]1 ZINC001169130943 969441798 /nfs/dbraw/zinc/44/17/98/969441798.db2.gz QHTHEOCJTPDWSA-NEPJUHHUSA-N 1 2 249.314 1.014 20 0 BDADLO O=C1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001209321996 969444269 /nfs/dbraw/zinc/44/42/69/969444269.db2.gz MSIHMWXOHAMRTA-UHFFFAOYSA-N 1 2 215.296 1.676 20 0 BDADLO O=C1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001209321996 969444277 /nfs/dbraw/zinc/44/42/77/969444277.db2.gz MSIHMWXOHAMRTA-UHFFFAOYSA-N 1 2 215.296 1.676 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001209555257 969542944 /nfs/dbraw/zinc/54/29/44/969542944.db2.gz XTIMFVLHDPZBLI-MNOVXSKESA-N 1 2 227.283 1.013 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001209555257 969542950 /nfs/dbraw/zinc/54/29/50/969542950.db2.gz XTIMFVLHDPZBLI-MNOVXSKESA-N 1 2 227.283 1.013 20 0 BDADLO COc1ccc[nH+]c1NCCCc1c[nH][nH]c1=O ZINC001156280112 969555662 /nfs/dbraw/zinc/55/56/62/969555662.db2.gz YIWJEVMEBLQELZ-SECBINFHSA-N 1 2 248.286 1.014 20 0 BDADLO Cc1noc(C2([NH2+][C@@H]3CCCOC3)CC2)n1 ZINC001254372532 969585667 /nfs/dbraw/zinc/58/56/67/969585667.db2.gz UWBAPTVMTWTBPQ-SECBINFHSA-N 1 2 223.276 1.136 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCCOC1 ZINC001254374001 969588595 /nfs/dbraw/zinc/58/85/95/969588595.db2.gz FGQUMAHJROKKNV-GUBZILKMSA-N 1 2 205.248 1.547 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCCOC1 ZINC001254374001 969588604 /nfs/dbraw/zinc/58/86/04/969588604.db2.gz FGQUMAHJROKKNV-GUBZILKMSA-N 1 2 205.248 1.547 20 0 BDADLO Cc1cccn2cc(C[NH+]3CCC3)nc12 ZINC001209733932 969593413 /nfs/dbraw/zinc/59/34/13/969593413.db2.gz WUPZJFRCJPQNGY-UHFFFAOYSA-N 1 2 201.273 1.848 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1cnccn1)C2 ZINC001209783438 969617538 /nfs/dbraw/zinc/61/75/38/969617538.db2.gz RMJAKJMVYZHFNP-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1cnccn1)C2 ZINC001209783438 969617550 /nfs/dbraw/zinc/61/75/50/969617550.db2.gz RMJAKJMVYZHFNP-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3cnccn3)C2)C1 ZINC001209787407 969619071 /nfs/dbraw/zinc/61/90/71/969619071.db2.gz XCDDURYBFPIPDM-SECBINFHSA-N 1 2 239.319 1.506 20 0 BDADLO O=C1C[N@@H+](C2CCc3ccccc3CC2)CCO1 ZINC001254462777 969650264 /nfs/dbraw/zinc/65/02/64/969650264.db2.gz IRTFKIPUJOTGDA-UHFFFAOYSA-N 1 2 245.322 1.793 20 0 BDADLO O=C1C[N@H+](C2CCc3ccccc3CC2)CCO1 ZINC001254462777 969650268 /nfs/dbraw/zinc/65/02/68/969650268.db2.gz IRTFKIPUJOTGDA-UHFFFAOYSA-N 1 2 245.322 1.793 20 0 BDADLO COC(=O)c1n[nH]cc1Nc1c[nH+]ccc1OC ZINC001169573537 969770606 /nfs/dbraw/zinc/77/06/06/969770606.db2.gz PPCURCSCVFXRTI-UHFFFAOYSA-N 1 2 248.242 1.344 20 0 BDADLO CC(=O)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC000723624344 969791297 /nfs/dbraw/zinc/79/12/97/969791297.db2.gz RIZBXAXBHGYNNO-UHFFFAOYSA-N 1 2 222.288 1.784 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cc2cc[nH]c2cn1 ZINC001169649713 969796044 /nfs/dbraw/zinc/79/60/44/969796044.db2.gz KVSMAPUKDMPXSZ-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cc2cc[nH]c2cn1 ZINC001169649713 969796048 /nfs/dbraw/zinc/79/60/48/969796048.db2.gz KVSMAPUKDMPXSZ-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO F[C@@H]1CCCC[C@H]1OCC[NH+]1CCOCC1 ZINC001210224953 969838853 /nfs/dbraw/zinc/83/88/53/969838853.db2.gz LLJKXQOVBSGLLP-VXGBXAGGSA-N 1 2 231.311 1.616 20 0 BDADLO c1nc2n(n1)CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC001255020519 969849080 /nfs/dbraw/zinc/84/90/80/969849080.db2.gz UBSKISGVZNSODK-UHFFFAOYSA-N 1 2 240.310 1.261 20 0 BDADLO c1nc2n(n1)CC[N@H+](C1Cc3ccccc3C1)C2 ZINC001255020519 969849081 /nfs/dbraw/zinc/84/90/81/969849081.db2.gz UBSKISGVZNSODK-UHFFFAOYSA-N 1 2 240.310 1.261 20 0 BDADLO Cc1cnc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210283761 969852293 /nfs/dbraw/zinc/85/22/93/969852293.db2.gz BIRCHLDWHARFTF-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO Cc1[nH+]cc(Nc2ccnn2C)cc1N ZINC001210284475 969852751 /nfs/dbraw/zinc/85/27/51/969852751.db2.gz GGKFDRNDYIIILD-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO Cc1[nH+]cc(Nc2cnc3nccn3c2)cc1N ZINC001210288004 969857056 /nfs/dbraw/zinc/85/70/56/969857056.db2.gz GSFPVQIBQMQRFD-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO C[C@H](c1nc(-c2cncs2)no1)n1cc[nH+]c1 ZINC000350896828 969958921 /nfs/dbraw/zinc/95/89/21/969958921.db2.gz FBPJNZCNGKSVDL-SSDOTTSWSA-N 1 2 247.283 1.999 20 0 BDADLO Nc1cc(CNc2cncnc2Cl)cc[nH+]1 ZINC001156756408 969992654 /nfs/dbraw/zinc/99/26/54/969992654.db2.gz XSQCGJRICBIPPT-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO COC(=O)CCN(C)c1nc(C)[nH+]cc1C ZINC001156809520 970004300 /nfs/dbraw/zinc/00/43/00/970004300.db2.gz WBMLMHXTALCDNJ-UHFFFAOYSA-N 1 2 223.276 1.093 20 0 BDADLO COc1cc(Nc2cnc(N)cn2)cc(C)[nH+]1 ZINC001210775284 970026752 /nfs/dbraw/zinc/02/67/52/970026752.db2.gz VPQWXPUFGXJAKS-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO [NH2+]=CNc1nc(-c2ccncc2)nc2c1CCC2 ZINC001157079778 970079438 /nfs/dbraw/zinc/07/94/38/970079438.db2.gz AIKHORXGWPALTI-UHFFFAOYSA-N 1 2 239.282 1.468 20 0 BDADLO C[N@@H+]1CC[C@@H](NCC(=O)c2ccccc2F)C1 ZINC001255411377 970130583 /nfs/dbraw/zinc/13/05/83/970130583.db2.gz HHLVEQHNTJKIQO-SNVBAGLBSA-N 1 2 236.290 1.302 20 0 BDADLO C[N@H+]1CC[C@@H](NCC(=O)c2ccccc2F)C1 ZINC001255411377 970130589 /nfs/dbraw/zinc/13/05/89/970130589.db2.gz HHLVEQHNTJKIQO-SNVBAGLBSA-N 1 2 236.290 1.302 20 0 BDADLO C=CC[NH+]1CCN(C(=O)CCCCC)CC1 ZINC000020465938 970228424 /nfs/dbraw/zinc/22/84/24/970228424.db2.gz NTFJJEBCDOQLMT-UHFFFAOYSA-N 1 2 224.348 1.897 20 0 BDADLO CNC(=O)c1ccc(-c2c[nH+]cn2C)cc1F ZINC001243069765 970263931 /nfs/dbraw/zinc/26/39/31/970263931.db2.gz AGTCPDSYQCERRC-UHFFFAOYSA-N 1 2 233.246 1.586 20 0 BDADLO COC(=O)Cc1cc(-c2c[nH+]cn2C)ccn1 ZINC001243069978 970274073 /nfs/dbraw/zinc/27/40/73/970274073.db2.gz CVXJFOYWBIXEPE-UHFFFAOYSA-N 1 2 231.255 1.198 20 0 BDADLO Cc1cc(C)c(-n2cnc(N)c3ccnc2-3)c[nH+]1 ZINC001213505675 970330783 /nfs/dbraw/zinc/33/07/83/970330783.db2.gz MKLBTJXVJCCGQD-UHFFFAOYSA-N 1 2 239.282 1.966 20 0 BDADLO Cc1noc(Nc2c[nH+]c(C)cc2C)c1C(N)=O ZINC001213505955 970331055 /nfs/dbraw/zinc/33/10/55/970331055.db2.gz VRSGVGMLJYMABL-UHFFFAOYSA-N 1 2 246.270 1.837 20 0 BDADLO C[NH+](C)C1(c2nnc([C@H]3CCOC3)o2)CC1 ZINC001255564143 970354178 /nfs/dbraw/zinc/35/41/78/970354178.db2.gz YYMWBCPRYBFDBI-QMMMGPOBSA-N 1 2 223.276 1.124 20 0 BDADLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH+](C)C ZINC001255813215 970501425 /nfs/dbraw/zinc/50/14/25/970501425.db2.gz OUHLDZSCNOGKOD-JTQLQIEISA-N 1 2 227.329 1.410 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001170169527 970544029 /nfs/dbraw/zinc/54/40/29/970544029.db2.gz DQWIGOPKMKSAMA-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO Nc1ccc(NCC(=O)Cc2ccccc2)c[nH+]1 ZINC001170186479 970558704 /nfs/dbraw/zinc/55/87/04/970558704.db2.gz RQVULTFTTOOMKT-UHFFFAOYSA-N 1 2 241.294 1.888 20 0 BDADLO Cc1cc(C)nc(C[NH+]2CC(O)(C(C)C)C2)c1 ZINC000723879289 970730275 /nfs/dbraw/zinc/73/02/75/970730275.db2.gz SMLSIZMUULOMHZ-UHFFFAOYSA-N 1 2 234.343 1.901 20 0 BDADLO C[C@H](OCc1c[nH+]cn1C)C1CCOCC1 ZINC001222594322 972590696 /nfs/dbraw/zinc/59/06/96/972590696.db2.gz FNVKPGRLXPXAHT-JTQLQIEISA-N 1 2 224.304 1.752 20 0 BDADLO COC1CCC(OCc2c[nH+]cn2C)CC1 ZINC001222594983 972591273 /nfs/dbraw/zinc/59/12/73/972591273.db2.gz KTLVIOQFSQNJLL-UHFFFAOYSA-N 1 2 224.304 1.894 20 0 BDADLO COC(C[C@H](C)OCc1c[nH+]cn1C)OC ZINC001222594948 972593014 /nfs/dbraw/zinc/59/30/14/972593014.db2.gz JOILIXRBILXHAO-VIFPVBQESA-N 1 2 228.292 1.334 20 0 BDADLO Cn1c[nH+]cc1COC1CCSCC1 ZINC001222595105 972594793 /nfs/dbraw/zinc/59/47/93/972594793.db2.gz OSUAOSXLMCMZMQ-UHFFFAOYSA-N 1 2 212.318 1.832 20 0 BDADLO CCC[C@H](OCc1c[nH+]cn1C)C(=O)OCC ZINC001222595425 972596534 /nfs/dbraw/zinc/59/65/34/972596534.db2.gz ZITCBVWLPRRBBQ-NSHDSACASA-N 1 2 240.303 1.669 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1CCn2ccnc21 ZINC001222595445 972599118 /nfs/dbraw/zinc/59/91/18/972599118.db2.gz ZYQONBAXTAPLFD-JTQLQIEISA-N 1 2 218.260 1.278 20 0 BDADLO C[C@@H](OCc1c[nH+]cn1C)c1cnccn1 ZINC001222599396 972600048 /nfs/dbraw/zinc/60/00/48/972600048.db2.gz ALZAVHJTGYUFRY-SECBINFHSA-N 1 2 218.260 1.488 20 0 BDADLO CC(C)C[C@@H](O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001144168099 972663766 /nfs/dbraw/zinc/66/37/66/972663766.db2.gz QNABNEGFEMMKRB-CYBMUJFWSA-N 1 2 248.326 1.338 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144168915 972665264 /nfs/dbraw/zinc/66/52/64/972665264.db2.gz QGSXAWCOZPFEPN-NWDGAFQWSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144168915 972665271 /nfs/dbraw/zinc/66/52/71/972665271.db2.gz QGSXAWCOZPFEPN-NWDGAFQWSA-N 1 2 249.289 1.732 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144168958 972668374 /nfs/dbraw/zinc/66/83/74/972668374.db2.gz RVFQYFCWYJOEKN-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144168958 972668380 /nfs/dbraw/zinc/66/83/80/972668380.db2.gz RVFQYFCWYJOEKN-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO Cc1noc(C)c1NC(=O)Cn1cc[nH+]c1 ZINC001327650033 972683918 /nfs/dbraw/zinc/68/39/18/972683918.db2.gz KZKIEGFORNANKT-UHFFFAOYSA-N 1 2 220.232 1.127 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3nccn3CC2)nc1 ZINC001144262551 972713455 /nfs/dbraw/zinc/71/34/55/972713455.db2.gz AYAGIMCPNGZHKT-UHFFFAOYSA-N 1 2 244.298 1.042 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3nccn3CC2)nc1 ZINC001144262551 972713465 /nfs/dbraw/zinc/71/34/65/972713465.db2.gz AYAGIMCPNGZHKT-UHFFFAOYSA-N 1 2 244.298 1.042 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)Nc3ccon3)ccn12 ZINC001276847009 972721465 /nfs/dbraw/zinc/72/14/65/972721465.db2.gz LCJOHNQHSGLOTK-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Oc1ccc(C[N@@H+]2CCC[C@@H]2CF)nc1 ZINC001144269688 972731648 /nfs/dbraw/zinc/73/16/48/972731648.db2.gz WYCKUMWIJRHVFU-SNVBAGLBSA-N 1 2 210.252 1.721 20 0 BDADLO Oc1ccc(C[N@H+]2CCC[C@@H]2CF)nc1 ZINC001144269688 972731659 /nfs/dbraw/zinc/73/16/59/972731659.db2.gz WYCKUMWIJRHVFU-SNVBAGLBSA-N 1 2 210.252 1.721 20 0 BDADLO COC(=O)C[C@@H](C)Nc1[nH+]ccc(F)c1C ZINC001160533486 972741889 /nfs/dbraw/zinc/74/18/89/972741889.db2.gz QRAPTMGSMIOTFV-SSDOTTSWSA-N 1 2 226.251 1.893 20 0 BDADLO c1nnc(C[NH2+]C2(c3ccccc3)CCC2)[nH]1 ZINC001327870792 972774745 /nfs/dbraw/zinc/77/47/45/972774745.db2.gz OMHFHAYCOXPWIN-UHFFFAOYSA-N 1 2 228.299 1.974 20 0 BDADLO Cc1cc(CO[C@@H](C)C[NH+]2CCOCC2)no1 ZINC001222974735 972775190 /nfs/dbraw/zinc/77/51/90/972775190.db2.gz YABAJHTZDAHQPV-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC/C=C/C1CC1 ZINC001327899589 972798769 /nfs/dbraw/zinc/79/87/69/972798769.db2.gz DFPFINUYZOYEFQ-OWOJBTEDSA-N 1 2 219.288 1.356 20 0 BDADLO Oc1cc(F)c(C[N@H+]2CCC[C@@H](O)C2)c(F)c1 ZINC001144541968 972861551 /nfs/dbraw/zinc/86/15/51/972861551.db2.gz NNFWYJNVAGKJEM-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1cc(F)c(C[N@@H+]2CCC[C@@H](O)C2)c(F)c1 ZINC001144541968 972861555 /nfs/dbraw/zinc/86/15/55/972861555.db2.gz NNFWYJNVAGKJEM-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555002 972867166 /nfs/dbraw/zinc/86/71/66/972867166.db2.gz QOBJIUZPCFQHKV-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555002 972867171 /nfs/dbraw/zinc/86/71/71/972867171.db2.gz QOBJIUZPCFQHKV-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOC1CCC1 ZINC001328150790 972886233 /nfs/dbraw/zinc/88/62/33/972886233.db2.gz XBMWKIRXGMRWON-UHFFFAOYSA-N 1 2 223.276 1.264 20 0 BDADLO CN(Cc1[nH+]cn2ccccc12)CC1(C)COC1 ZINC001144622238 972894021 /nfs/dbraw/zinc/89/40/21/972894021.db2.gz HFHBWQSHDOBOJP-UHFFFAOYSA-N 1 2 245.326 1.803 20 0 BDADLO C[C@H]1CN(Cc2[nH+]cn3ccccc23)C[C@@H]1O ZINC001144615454 972895196 /nfs/dbraw/zinc/89/51/96/972895196.db2.gz ILJFAAFERJGPFX-GWCFXTLKSA-N 1 2 231.299 1.147 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001328382025 973005543 /nfs/dbraw/zinc/00/55/43/973005543.db2.gz WDDOWPPKUJGSQZ-NWDGAFQWSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001328382025 973005555 /nfs/dbraw/zinc/00/55/55/973005555.db2.gz WDDOWPPKUJGSQZ-NWDGAFQWSA-N 1 2 234.347 1.859 20 0 BDADLO Cc1cc(CO[C@H]2CCCOC2=O)cc(C)[nH+]1 ZINC001223422183 973062372 /nfs/dbraw/zinc/06/23/72/973062372.db2.gz ULKSTNQRRFDHLN-LBPRGKRZSA-N 1 2 235.283 1.921 20 0 BDADLO COC(=O)c1cc(COC2C[NH+](C)C2)cs1 ZINC001223458974 973085882 /nfs/dbraw/zinc/08/58/82/973085882.db2.gz MKGNEIZKYIFAPP-UHFFFAOYSA-N 1 2 241.312 1.365 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1csnn1 ZINC001146811420 973260156 /nfs/dbraw/zinc/26/01/56/973260156.db2.gz QFLLUFMOAKFOFX-UHFFFAOYSA-N 1 2 246.295 1.096 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccn[nH]1 ZINC001146844412 973312638 /nfs/dbraw/zinc/31/26/38/973312638.db2.gz UOWCYJIQANAAPL-UHFFFAOYSA-N 1 2 245.286 1.261 20 0 BDADLO CSCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001328831151 973362903 /nfs/dbraw/zinc/36/29/03/973362903.db2.gz VJZUQIWPRCOVPI-VIFPVBQESA-N 1 2 227.333 1.313 20 0 BDADLO Cn1ccc(C(=O)NCCOc2cc[nH+]cc2)c1 ZINC001147017307 973394789 /nfs/dbraw/zinc/39/47/89/973394789.db2.gz YVZGZTBGWWTBTJ-UHFFFAOYSA-N 1 2 245.282 1.229 20 0 BDADLO COc1cc(COC2C[NH+](C)C2)cc(C)n1 ZINC001224113378 973453829 /nfs/dbraw/zinc/45/38/29/973453829.db2.gz CJSGWZPASCYWHK-UHFFFAOYSA-N 1 2 222.288 1.229 20 0 BDADLO Cc1n[nH]nc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001147564176 973684926 /nfs/dbraw/zinc/68/49/26/973684926.db2.gz FWXKRVHZIQKEED-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO CC[C@H]1C[N@H+](CN2C(=O)CC2(C)C)[C@H](C)CO1 ZINC001329603594 973849652 /nfs/dbraw/zinc/84/96/52/973849652.db2.gz JABBRLPGTGXBEB-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@H]1C[N@@H+](CN2C(=O)CC2(C)C)[C@H](C)CO1 ZINC001329603594 973849660 /nfs/dbraw/zinc/84/96/60/973849660.db2.gz JABBRLPGTGXBEB-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO CC(C)(C(=O)N1CC[C@@]12CCOC2)c1c[nH+]c[nH]1 ZINC001329624213 973857628 /nfs/dbraw/zinc/85/76/28/973857628.db2.gz MEFIYWJBVMMTSL-ZDUSSCGKSA-N 1 2 249.314 1.079 20 0 BDADLO Cc1cc(C(=O)NC2C[NH+](C)C2)cc(C)c1O ZINC001148561078 973859840 /nfs/dbraw/zinc/85/98/40/973859840.db2.gz YATJFKCCQMUBBI-UHFFFAOYSA-N 1 2 234.299 1.053 20 0 BDADLO CC(C)c1cc(NC(=O)[C@H]2CSC[NH2+]2)n[nH]1 ZINC000129154178 973892207 /nfs/dbraw/zinc/89/22/07/973892207.db2.gz ZYQYUTLDSBFFJK-MRVPVSSYSA-N 1 2 240.332 1.134 20 0 BDADLO CC[C@H](C[C@@H](C)O)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329892291 974006447 /nfs/dbraw/zinc/00/64/47/974006447.db2.gz QQTLFTCSKWDDNQ-GMTAPVOTSA-N 1 2 239.319 1.110 20 0 BDADLO O=C1CCCC[C@H]1OCCC[NH+]1CCOCC1 ZINC001224865750 974032118 /nfs/dbraw/zinc/03/21/18/974032118.db2.gz BGXPNQZIJGBHGW-CYBMUJFWSA-N 1 2 241.331 1.237 20 0 BDADLO Cc1nc(NCCNC(=O)CCCF)cc[nH+]1 ZINC001094036689 974043501 /nfs/dbraw/zinc/04/35/01/974043501.db2.gz UFTSRNLJGHLJEX-UHFFFAOYSA-N 1 2 240.282 1.063 20 0 BDADLO CCOC(=[NH2+])CCCCOC(=O)[C@H](O)CC ZINC001224964310 974106947 /nfs/dbraw/zinc/10/69/47/974106947.db2.gz WPDBVFHHZOBUED-SECBINFHSA-N 1 2 231.292 1.485 20 0 BDADLO Fc1cccc2c1C[C@@H]([NH2+]Cc1ncon1)C2 ZINC001171768205 974151667 /nfs/dbraw/zinc/15/16/67/974151667.db2.gz FOSYXNULTIBIKV-VIFPVBQESA-N 1 2 233.246 1.466 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cnccn1 ZINC001330262094 974196274 /nfs/dbraw/zinc/19/62/74/974196274.db2.gz RRZYKOWJJTWIGD-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cnccn1 ZINC001330262094 974196281 /nfs/dbraw/zinc/19/62/81/974196281.db2.gz RRZYKOWJJTWIGD-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO CN(CCO)c1ccc(C(C)(C)C)c[nH+]1 ZINC000146480119 974199568 /nfs/dbraw/zinc/19/95/68/974199568.db2.gz JCYLZSQBQYBVPN-UHFFFAOYSA-N 1 2 208.305 1.808 20 0 BDADLO COc1cccc(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001225236416 974289391 /nfs/dbraw/zinc/28/93/91/974289391.db2.gz WFANOHKMLZHPHY-CYBMUJFWSA-N 1 2 237.299 1.405 20 0 BDADLO COc1cccc(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001225236416 974289414 /nfs/dbraw/zinc/28/94/14/974289414.db2.gz WFANOHKMLZHPHY-CYBMUJFWSA-N 1 2 237.299 1.405 20 0 BDADLO COC(=O)[C@H]1C[C@@H](Oc2cc[nH+]cc2)C1 ZINC001225289497 974359766 /nfs/dbraw/zinc/35/97/66/974359766.db2.gz KCSITIBTYLZADP-WAAGHKOSSA-N 1 2 207.229 1.412 20 0 BDADLO CCOC(=O)[C@H](Oc1cc[nH+]cc1)C1CC1 ZINC001225296533 974373882 /nfs/dbraw/zinc/37/38/82/974373882.db2.gz XBXNBWJZXVSZAB-LLVKDONJSA-N 1 2 221.256 1.802 20 0 BDADLO CC1(F)C[NH+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172163391 974421525 /nfs/dbraw/zinc/42/15/25/974421525.db2.gz PEVNBELUEIKELC-VHSXEESVSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1CC[C@H]2C[C@H]([N@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161430 974423877 /nfs/dbraw/zinc/42/38/77/974423877.db2.gz HNHNPILCGUJODP-YTWAJWBKSA-N 1 2 244.285 1.132 20 0 BDADLO O=C1CC[C@H]2C[C@H]([N@@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161430 974423882 /nfs/dbraw/zinc/42/38/82/974423882.db2.gz HNHNPILCGUJODP-YTWAJWBKSA-N 1 2 244.285 1.132 20 0 BDADLO c1ccc(C[NH+]2CC(Oc3cncnc3)C2)cc1 ZINC001225458538 974506053 /nfs/dbraw/zinc/50/60/53/974506053.db2.gz OTVKNZSBIAUMBB-UHFFFAOYSA-N 1 2 241.294 1.740 20 0 BDADLO C[C@H](C(=O)N1CCC(F)CC1)n1cc[nH+]c1 ZINC001331243041 974647589 /nfs/dbraw/zinc/64/75/89/974647589.db2.gz IKGLJBJCSYHTKW-SECBINFHSA-N 1 2 225.267 1.405 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@H]1CCn2c[nH+]cc21 ZINC001331224393 974652433 /nfs/dbraw/zinc/65/24/33/974652433.db2.gz GYPMORBCEZODBN-QWRGUYRKSA-N 1 2 231.299 1.800 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccnc(Cl)c2)C1 ZINC001225783469 974681764 /nfs/dbraw/zinc/68/17/64/974681764.db2.gz WECDUKNHCLXDER-SNVBAGLBSA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccnc(Cl)c2)C1 ZINC001225783469 974681769 /nfs/dbraw/zinc/68/17/69/974681769.db2.gz WECDUKNHCLXDER-SNVBAGLBSA-N 1 2 242.706 1.444 20 0 BDADLO CC[C@H](CC(C)C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001172384429 974728943 /nfs/dbraw/zinc/72/89/43/974728943.db2.gz HMZBNTFUBLYNES-MXWKQRLJSA-N 1 2 231.336 1.323 20 0 BDADLO CC[C@@H](CC(C)C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001172391492 974741299 /nfs/dbraw/zinc/74/12/99/974741299.db2.gz HMZBNTFUBLYNES-OUAUKWLOSA-N 1 2 231.336 1.323 20 0 BDADLO CCn1nncc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC001331535375 974754255 /nfs/dbraw/zinc/75/42/55/974754255.db2.gz YLJUZNMPOKDCQU-KOLCDFICSA-N 1 2 246.318 1.290 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H](C)CCOCC(C)C ZINC001172474197 974768399 /nfs/dbraw/zinc/76/83/99/974768399.db2.gz ZLIZSXWRRLSIHJ-LBPRGKRZSA-N 1 2 245.363 1.980 20 0 BDADLO Cc1ncoc1-c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001331584898 974768933 /nfs/dbraw/zinc/76/89/33/974768933.db2.gz WXGATHHZPZNYPN-MRVPVSSYSA-N 1 2 245.242 1.839 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)no1 ZINC001331741025 974809775 /nfs/dbraw/zinc/80/97/75/974809775.db2.gz GSAKFNPJEXRMLB-BDAKNGLRSA-N 1 2 247.302 1.450 20 0 BDADLO CC(C)OCC[C@H](C)[N@@H+]1CCCC(=O)C1 ZINC001172447840 974810167 /nfs/dbraw/zinc/81/01/67/974810167.db2.gz HEYPBNFXWGCKQM-NSHDSACASA-N 1 2 213.321 1.855 20 0 BDADLO CC(C)OCC[C@H](C)[N@H+]1CCCC(=O)C1 ZINC001172447840 974810171 /nfs/dbraw/zinc/81/01/71/974810171.db2.gz HEYPBNFXWGCKQM-NSHDSACASA-N 1 2 213.321 1.855 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cnccc2Cl)C1 ZINC001226293468 974843543 /nfs/dbraw/zinc/84/35/43/974843543.db2.gz HYLFCHKUUQECBC-SECBINFHSA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cnccc2Cl)C1 ZINC001226293468 974843547 /nfs/dbraw/zinc/84/35/47/974843547.db2.gz HYLFCHKUUQECBC-SECBINFHSA-N 1 2 242.706 1.444 20 0 BDADLO Cc1nnc(SCCc2c[nH+]cn2C)[nH]1 ZINC001331897564 974854292 /nfs/dbraw/zinc/85/42/92/974854292.db2.gz UVGHNRXYRAYQAA-UHFFFAOYSA-N 1 2 223.305 1.181 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)CC(F)F)C1 ZINC001172624002 974898579 /nfs/dbraw/zinc/89/85/79/974898579.db2.gz UEUIOXHFNPTBSS-BDAKNGLRSA-N 1 2 235.274 1.915 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)CC(F)F)C1 ZINC001172624002 974898581 /nfs/dbraw/zinc/89/85/81/974898581.db2.gz UEUIOXHFNPTBSS-BDAKNGLRSA-N 1 2 235.274 1.915 20 0 BDADLO CC[NH+]1CC(Oc2ccc3cnoc3c2)C1 ZINC001226445316 974899565 /nfs/dbraw/zinc/89/95/65/974899565.db2.gz CVMCQAYLXSWHIV-UHFFFAOYSA-N 1 2 218.256 1.911 20 0 BDADLO Cc1cc(O)c(C)c(OC2C[NH+](C)C2)c1 ZINC001226522376 974941972 /nfs/dbraw/zinc/94/19/72/974941972.db2.gz HVLAVPRQYJXMTH-UHFFFAOYSA-N 1 2 207.273 1.702 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)s1 ZINC001206179490 974962747 /nfs/dbraw/zinc/96/27/47/974962747.db2.gz QCYUJMNQQXSYLH-AOOOYVTPSA-N 1 2 224.329 1.733 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)s1 ZINC001206179490 974962751 /nfs/dbraw/zinc/96/27/51/974962751.db2.gz QCYUJMNQQXSYLH-AOOOYVTPSA-N 1 2 224.329 1.733 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172915105 974962963 /nfs/dbraw/zinc/96/29/63/974962963.db2.gz NUEDXPCSRWRZHW-VHSXEESVSA-N 1 2 227.304 1.239 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172931473 974982105 /nfs/dbraw/zinc/98/21/05/974982105.db2.gz UKKIHINWKFSSBG-QWRGUYRKSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@H](C(=O)N[C@@]12C[C@@H]1CCCC2)n1cc[nH+]c1 ZINC001332208579 975007313 /nfs/dbraw/zinc/00/73/13/975007313.db2.gz LCKKDUBQWQFDDJ-MDZLAQPJSA-N 1 2 233.315 1.893 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC001332246407 975029032 /nfs/dbraw/zinc/02/90/32/975029032.db2.gz CNASCQOGYJRIDV-GHMZBOCLSA-N 1 2 219.288 1.527 20 0 BDADLO FC1(F)C[C@@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173123053 975032842 /nfs/dbraw/zinc/03/28/42/975032842.db2.gz YRDWNOSOESWKBW-MUWHJKNJSA-N 1 2 230.283 1.998 20 0 BDADLO CC[NH+]1CC(Oc2cnnc3ccccc32)C1 ZINC001226894175 975137023 /nfs/dbraw/zinc/13/70/23/975137023.db2.gz MLEJSYIMWYPBAH-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO Cc1ncc(OC2C[NH+](C(C)C)C2)cn1 ZINC001226959223 975189836 /nfs/dbraw/zinc/18/98/36/975189836.db2.gz IQKCZRWUFZOQQG-UHFFFAOYSA-N 1 2 207.277 1.256 20 0 BDADLO CC(C)[NH+]1CC(Oc2c(O)cccc2O)C1 ZINC001227032959 975227216 /nfs/dbraw/zinc/22/72/16/975227216.db2.gz BTKGAWMOZWULPN-UHFFFAOYSA-N 1 2 223.272 1.569 20 0 BDADLO CCSC[C@@H](C)[NH2+]Cc1ncon1 ZINC001173288698 975253258 /nfs/dbraw/zinc/25/32/58/975253258.db2.gz YXAPFPLGVMETRJ-SSDOTTSWSA-N 1 2 201.295 1.301 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(C=O)c1 ZINC001332865423 975297930 /nfs/dbraw/zinc/29/79/30/975297930.db2.gz FMIXUAZEJYMUNR-VIFPVBQESA-N 1 2 247.254 1.107 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C/C=C(/C)COC)C(=O)OC ZINC001332884063 975306684 /nfs/dbraw/zinc/30/66/84/975306684.db2.gz KXSAGPXFIVGTKH-XHXQXFLYSA-N 1 2 243.347 1.756 20 0 BDADLO CCn1cc(C[NH2+]C(C)(C)c2cnn(C)c2)nn1 ZINC001332887103 975310219 /nfs/dbraw/zinc/31/02/19/975310219.db2.gz TUYVRHRQKLYKQY-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO C[C@@H]([NH2+]Cc1c(F)cncc1F)c1cn[nH]c1 ZINC001332886420 975310758 /nfs/dbraw/zinc/31/07/58/975310758.db2.gz PZDCUMKJELSXGS-SSDOTTSWSA-N 1 2 238.241 1.934 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001332939012 975330582 /nfs/dbraw/zinc/33/05/82/975330582.db2.gz VTZPETAJJWMRGS-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001332939012 975330591 /nfs/dbraw/zinc/33/05/91/975330591.db2.gz VTZPETAJJWMRGS-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccccc2F)C1 ZINC001203345967 975369081 /nfs/dbraw/zinc/36/90/81/975369081.db2.gz GDKBSCAUDVENMN-JQWIXIFHSA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccccc2F)C1 ZINC001203345967 975369086 /nfs/dbraw/zinc/36/90/86/975369086.db2.gz GDKBSCAUDVENMN-JQWIXIFHSA-N 1 2 241.281 1.978 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccccc2O)C1 ZINC001227486661 975445144 /nfs/dbraw/zinc/44/51/44/975445144.db2.gz SXESWWKBTOTMGG-UHFFFAOYSA-N 1 2 207.273 1.864 20 0 BDADLO C[C@H]([NH2+]Cc1noc2c1COCC2)c1cn[nH]c1 ZINC001333326968 975663558 /nfs/dbraw/zinc/66/35/58/975663558.db2.gz JKNMARXUGDFPPE-QMMMGPOBSA-N 1 2 248.286 1.321 20 0 BDADLO CO[C@@](C)(C[NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC001333371175 975721904 /nfs/dbraw/zinc/72/19/04/975721904.db2.gz PKHHGKHZOAKQQG-UFBFGSQYSA-N 1 2 239.319 1.844 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCc2cnccn2)no1 ZINC001333399109 975749020 /nfs/dbraw/zinc/74/90/20/975749020.db2.gz ALSUISVHHLQQKH-QMMMGPOBSA-N 1 2 233.275 1.061 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)CCNC3=O)C1 ZINC001227912795 975788306 /nfs/dbraw/zinc/78/83/06/975788306.db2.gz FYVCWIGNQGGMRW-UHFFFAOYSA-N 1 2 246.310 1.055 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCn2cnnc2[C@H]1C ZINC001333463145 975799014 /nfs/dbraw/zinc/79/90/14/975799014.db2.gz VAHNXDCCBHYVOP-NEOSZVFXSA-N 1 2 236.319 1.247 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCn2cnnc2[C@H]1C ZINC001333463145 975799024 /nfs/dbraw/zinc/79/90/24/975799024.db2.gz VAHNXDCCBHYVOP-NEOSZVFXSA-N 1 2 236.319 1.247 20 0 BDADLO C[C@@H](C(=O)NC[C@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001333556306 975847076 /nfs/dbraw/zinc/84/70/76/975847076.db2.gz BLLQOSCLPBLVQR-GWCFXTLKSA-N 1 2 235.331 1.997 20 0 BDADLO CC(C)([NH2+]Cc1nnc[nH]1)c1cccs1 ZINC001333593019 975874869 /nfs/dbraw/zinc/87/48/69/975874869.db2.gz RTBBNTLRLQVMFM-UHFFFAOYSA-N 1 2 222.317 1.891 20 0 BDADLO O=c1cc(Nc2cc[nH+]cc2)nc(Cl)[nH]1 ZINC001173881470 975922998 /nfs/dbraw/zinc/92/29/98/975922998.db2.gz UVYCYARQLSUAOL-UHFFFAOYSA-N 1 2 222.635 1.396 20 0 BDADLO CCc1cc(NC2(CO)CCC2)nc(CC)[nH+]1 ZINC001333671336 975967328 /nfs/dbraw/zinc/96/73/28/975967328.db2.gz RZNPFXRQSRYSHX-UHFFFAOYSA-N 1 2 235.331 1.928 20 0 BDADLO Cc1cc(F)ncc1C[NH2+]Cc1ccn(C)n1 ZINC001333705427 976015942 /nfs/dbraw/zinc/01/59/42/976015942.db2.gz JDJINLHRGKXMJF-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CC(=O)N1CC(Oc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC001228329620 976130177 /nfs/dbraw/zinc/13/01/77/976130177.db2.gz PTIPRHLDCQKNAF-UHFFFAOYSA-N 1 2 245.282 1.481 20 0 BDADLO COc1cc[nH+]cc1Nc1cccc(C(N)=O)c1 ZINC001174057303 976204955 /nfs/dbraw/zinc/20/49/55/976204955.db2.gz AETBBUASBLPCDG-UHFFFAOYSA-N 1 2 243.266 1.933 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334041210 976242799 /nfs/dbraw/zinc/24/27/99/976242799.db2.gz FNNXQNFZXQYRAU-WDEREUQCSA-N 1 2 248.330 1.597 20 0 BDADLO CN(C)c1cc(N2CC3CCC2CC3)nc[nH+]1 ZINC001334186392 976362510 /nfs/dbraw/zinc/36/25/10/976362510.db2.gz HVDVYSXAPUBVNG-UHFFFAOYSA-N 1 2 232.331 1.921 20 0 BDADLO CN(C)c1cc(N2CC3CCC2CC3)[nH+]cn1 ZINC001334186392 976362519 /nfs/dbraw/zinc/36/25/19/976362519.db2.gz HVDVYSXAPUBVNG-UHFFFAOYSA-N 1 2 232.331 1.921 20 0 BDADLO CN(C)c1ccccc1OC1C[NH+](C)C1 ZINC001228875260 976545487 /nfs/dbraw/zinc/54/54/87/976545487.db2.gz PYLPRIWBGMOAKO-UHFFFAOYSA-N 1 2 206.289 1.445 20 0 BDADLO CCC[C@H]1C[N@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC001334627833 976570436 /nfs/dbraw/zinc/57/04/36/976570436.db2.gz YPQCPDWCDBRUPV-OBIHZWKSSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@H]1C[N@@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC001334627833 976570451 /nfs/dbraw/zinc/57/04/51/976570451.db2.gz YPQCPDWCDBRUPV-OBIHZWKSSA-N 1 2 241.331 1.607 20 0 BDADLO c1cn2ccc(Nc3cncnc3)cc2[nH+]1 ZINC001174385173 976624178 /nfs/dbraw/zinc/62/41/78/976624178.db2.gz JAQQKEJYQRBYNF-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO Cc1c(Nc2ccc(N(C)C)[nH+]c2)cnn1C ZINC001174389800 976648636 /nfs/dbraw/zinc/64/86/36/976648636.db2.gz SSZAQTQKJHMDJH-UHFFFAOYSA-N 1 2 231.303 1.933 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCN(C)C(=O)[C@H]2C)c1 ZINC001334807212 976707879 /nfs/dbraw/zinc/70/78/79/976707879.db2.gz ATENKXVVIFENFF-GFCCVEGCSA-N 1 2 247.342 1.361 20 0 BDADLO CC(C)[NH+]1CC(Oc2cccoc2=O)C1 ZINC001229088235 976711826 /nfs/dbraw/zinc/71/18/26/976711826.db2.gz JARXBYBQIILZGE-UHFFFAOYSA-N 1 2 209.245 1.111 20 0 BDADLO Cc1[nH+]cc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)n1C ZINC001334827878 976724290 /nfs/dbraw/zinc/72/42/90/976724290.db2.gz MAXHRYMJKIXYHK-NSHDSACASA-N 1 2 239.319 1.175 20 0 BDADLO C[NH+]1CC(Oc2ccnc3sccc32)C1 ZINC001229208813 976793947 /nfs/dbraw/zinc/79/39/47/976793947.db2.gz XEJMMSGALXHLOH-UHFFFAOYSA-N 1 2 220.297 1.989 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)CC(=O)O3)C1 ZINC001229232694 976800849 /nfs/dbraw/zinc/80/08/49/976800849.db2.gz LVWZFTCALRLQFG-UHFFFAOYSA-N 1 2 233.267 1.231 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)[C@@H]1CCOC1 ZINC001334942256 976803798 /nfs/dbraw/zinc/80/37/98/976803798.db2.gz UTPIRCVBYZAJOV-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)[C@@H]1CCOC1 ZINC001334942256 976803802 /nfs/dbraw/zinc/80/38/02/976803802.db2.gz UTPIRCVBYZAJOV-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C[C@@H]1F ZINC001334983431 976816325 /nfs/dbraw/zinc/81/63/25/976816325.db2.gz XLUQOPJLSURRBV-UWVGGRQHSA-N 1 2 238.310 1.727 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C[C@@H]1F ZINC001334983431 976816333 /nfs/dbraw/zinc/81/63/33/976816333.db2.gz XLUQOPJLSURRBV-UWVGGRQHSA-N 1 2 238.310 1.727 20 0 BDADLO CN=c1c(N)cc(Cl)nn1-c1cc[nH+]cc1C ZINC001174538068 976825052 /nfs/dbraw/zinc/82/50/52/976825052.db2.gz XXHLPRATGCWWGQ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO C[C@H](C(=O)NN1CCCC[C@@H]1C)n1cc[nH+]c1 ZINC001335042676 976830096 /nfs/dbraw/zinc/83/00/96/976830096.db2.gz LICRGZBROWWFHY-WDEREUQCSA-N 1 2 236.319 1.350 20 0 BDADLO C[C@H](C(=O)NC1CCC(=O)CC1)n1cc[nH+]c1 ZINC001335123137 976855960 /nfs/dbraw/zinc/85/59/60/976855960.db2.gz HUSKWUPMDTYBQS-SECBINFHSA-N 1 2 235.287 1.072 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC001335296222 976932830 /nfs/dbraw/zinc/93/28/30/976932830.db2.gz JSGKLDFWGCRIOC-SSDOTTSWSA-N 1 2 234.259 1.329 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccnc1C1CC1 ZINC001335361326 976998402 /nfs/dbraw/zinc/99/84/02/976998402.db2.gz IFHNKTXYGPZCEJ-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO C[C@@H](O)CC(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229949705 977035702 /nfs/dbraw/zinc/03/57/02/977035702.db2.gz DMFZNKLVNWXYTH-SNVBAGLBSA-N 1 2 246.266 1.549 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c1F ZINC001277448536 977122756 /nfs/dbraw/zinc/12/27/56/977122756.db2.gz QDOUYUXGDIWCOW-SMDDNHRTSA-N 1 2 248.301 1.584 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@H]3C[C@]32C(N)=O)c1F ZINC001277448536 977122762 /nfs/dbraw/zinc/12/27/62/977122762.db2.gz QDOUYUXGDIWCOW-SMDDNHRTSA-N 1 2 248.301 1.584 20 0 BDADLO Cc1cc2n[nH]cc2cc1OC1C[NH+](C)C1 ZINC001230221863 977130519 /nfs/dbraw/zinc/13/05/19/977130519.db2.gz BLEDJBSFTUVVJZ-UHFFFAOYSA-N 1 2 217.272 1.564 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1Cc1cccc2c1CCC2 ZINC001249456323 977150115 /nfs/dbraw/zinc/15/01/15/977150115.db2.gz MZOAPQVQBXVRBO-AWEZNQCLSA-N 1 2 245.322 1.923 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1Cc1cccc2c1CCC2 ZINC001249456323 977150119 /nfs/dbraw/zinc/15/01/19/977150119.db2.gz MZOAPQVQBXVRBO-AWEZNQCLSA-N 1 2 245.322 1.923 20 0 BDADLO CC(=O)[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920957 977383156 /nfs/dbraw/zinc/38/31/56/977383156.db2.gz ZTJXJMKYLDJHKS-VIFPVBQESA-N 1 2 233.267 1.724 20 0 BDADLO CN(C)c1ccc(N(C)c2nccnc2N)c[nH+]1 ZINC001175340463 977386942 /nfs/dbraw/zinc/38/69/42/977386942.db2.gz HSQUOCHMGOJWJM-UHFFFAOYSA-N 1 2 244.302 1.288 20 0 BDADLO CC/C=C(\C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001231005399 977420668 /nfs/dbraw/zinc/42/06/68/977420668.db2.gz PRYNNLBZHSRFHM-JVOXIWMLSA-N 1 2 242.338 1.845 20 0 BDADLO CC/C=C(\C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001231005399 977420685 /nfs/dbraw/zinc/42/06/85/977420685.db2.gz PRYNNLBZHSRFHM-JVOXIWMLSA-N 1 2 242.338 1.845 20 0 BDADLO CC[C@H](O)C[NH2+][C@@H](C)c1noc(C(F)F)n1 ZINC001336016655 977432098 /nfs/dbraw/zinc/43/20/98/977432098.db2.gz FYNRNMPJDNPGOG-WDSKDSINSA-N 1 2 235.234 1.429 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCSC1 ZINC001336103447 977505612 /nfs/dbraw/zinc/50/56/12/977505612.db2.gz OZUVWHYUSUVHTJ-UHFFFAOYSA-N 1 2 225.317 1.184 20 0 BDADLO CC(C)(C)[S@](C)(=O)=NC(=O)Cc1[nH]cc[nH+]1 ZINC001336107328 977506646 /nfs/dbraw/zinc/50/66/46/977506646.db2.gz QKVXSBHLOLGVNF-INIZCTEOSA-N 1 2 243.332 1.375 20 0 BDADLO CC(C)c1nnc(N=C2CCC[N@H+](C)C2)o1 ZINC001175574348 977568286 /nfs/dbraw/zinc/56/82/86/977568286.db2.gz UDYNVRZPMVHRMP-UHFFFAOYSA-N 1 2 222.292 1.824 20 0 BDADLO CC(C)c1nnc(N=C2CCC[N@@H+](C)C2)o1 ZINC001175574348 977568293 /nfs/dbraw/zinc/56/82/93/977568293.db2.gz UDYNVRZPMVHRMP-UHFFFAOYSA-N 1 2 222.292 1.824 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2cnccc12 ZINC001231519922 977622652 /nfs/dbraw/zinc/62/26/52/977622652.db2.gz MNUNYYXXDWDAHB-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2cnccc12 ZINC001231519922 977622656 /nfs/dbraw/zinc/62/26/56/977622656.db2.gz MNUNYYXXDWDAHB-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCOc1ncccc1C[NH+]1CC2(COC2)C1 ZINC001231761288 977737541 /nfs/dbraw/zinc/73/75/41/977737541.db2.gz XIFOCGZFBNAEJX-UHFFFAOYSA-N 1 2 234.299 1.313 20 0 BDADLO Cc1noc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC001336542907 977762763 /nfs/dbraw/zinc/76/27/63/977762763.db2.gz JACHTXWESZINGS-GXSJLCMTSA-N 1 2 247.302 1.662 20 0 BDADLO C=CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001336675810 977846464 /nfs/dbraw/zinc/84/64/64/977846464.db2.gz JACDQQBBTIZHDZ-UHFFFAOYSA-N 1 2 227.267 1.675 20 0 BDADLO CCOC(=O)c1scnc1Nc1[nH]cc[nH+]1 ZINC001176079007 977873882 /nfs/dbraw/zinc/87/38/82/977873882.db2.gz CDWJRUFEFDCNCB-UHFFFAOYSA-N 1 2 238.272 1.787 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232061690 977874341 /nfs/dbraw/zinc/87/43/41/977874341.db2.gz LKAPYWZIQWNXLT-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232061690 977874342 /nfs/dbraw/zinc/87/43/42/977874342.db2.gz LKAPYWZIQWNXLT-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc2ncccc2[nH]1 ZINC001232061822 977874567 /nfs/dbraw/zinc/87/45/67/977874567.db2.gz OEWPMYDMNJDOJE-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc2ncccc2[nH]1 ZINC001232061822 977874572 /nfs/dbraw/zinc/87/45/72/977874572.db2.gz OEWPMYDMNJDOJE-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCOCC2)[nH+]cn1 ZINC001336735142 977893470 /nfs/dbraw/zinc/89/34/70/977893470.db2.gz JWBXGXGFTDSNGK-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCOCC2)nc[nH+]1 ZINC001336735142 977893474 /nfs/dbraw/zinc/89/34/74/977893474.db2.gz JWBXGXGFTDSNGK-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO COc1cc[nH+]cc1Nc1cnn2cccnc12 ZINC001176117218 977946119 /nfs/dbraw/zinc/94/61/19/977946119.db2.gz WABOUBFOPJBQMJ-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO O[C@H]1C[N@H+](Cc2cnsc2)CC[C@H]1F ZINC001232224530 977948447 /nfs/dbraw/zinc/94/84/47/977948447.db2.gz LWHQXZVGIJDIOG-BDAKNGLRSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cnsc2)CC[C@H]1F ZINC001232224530 977948455 /nfs/dbraw/zinc/94/84/55/977948455.db2.gz LWHQXZVGIJDIOG-BDAKNGLRSA-N 1 2 216.281 1.048 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(C)nc1OC ZINC001176118850 977950938 /nfs/dbraw/zinc/95/09/38/977950938.db2.gz PJAYXBGHJOXCOG-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO Cc1nc(N)ccc1C[N@H+](C)Cc1ccno1 ZINC001232345560 978025607 /nfs/dbraw/zinc/02/56/07/978025607.db2.gz GGTGZSSSVKUMOA-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+](C)Cc1ccno1 ZINC001232345560 978025612 /nfs/dbraw/zinc/02/56/12/978025612.db2.gz GGTGZSSSVKUMOA-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO Fc1ccc2nc(C[NH+]3CC=CC3)cn2c1 ZINC001232409976 978053510 /nfs/dbraw/zinc/05/35/10/978053510.db2.gz ZLJFCZZBDHLOCN-UHFFFAOYSA-N 1 2 217.247 1.845 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn2cc(F)ccc2n1 ZINC001232414460 978059699 /nfs/dbraw/zinc/05/96/99/978059699.db2.gz BIKRQTNSLOHDIY-GFCCVEGCSA-N 1 2 249.289 1.694 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn2cc(F)ccc2n1 ZINC001232414460 978059706 /nfs/dbraw/zinc/05/97/06/978059706.db2.gz BIKRQTNSLOHDIY-GFCCVEGCSA-N 1 2 249.289 1.694 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC2(CCC2)C1 ZINC001595527114 978083083 /nfs/dbraw/zinc/08/30/83/978083083.db2.gz QGPLYNQLAHJZMA-NSHDSACASA-N 1 2 245.326 1.458 20 0 BDADLO Cc1[nH]c(CN2CC(F)(C3CC3)C2)c[nH+]1 ZINC001232458603 978085588 /nfs/dbraw/zinc/08/55/88/978085588.db2.gz NIAXRFBBPJOHMW-UHFFFAOYSA-N 1 2 209.268 1.652 20 0 BDADLO Cc1[nH]cc(CN2CC(F)(C3CC3)C2)[nH+]1 ZINC001232458603 978085603 /nfs/dbraw/zinc/08/56/03/978085603.db2.gz NIAXRFBBPJOHMW-UHFFFAOYSA-N 1 2 209.268 1.652 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CC(F)(F)C3)c[nH+]1 ZINC001232458438 978086525 /nfs/dbraw/zinc/08/65/25/978086525.db2.gz KBFJFNGDNMJETH-UHFFFAOYSA-N 1 2 227.258 1.949 20 0 BDADLO Cc1[nH]cc(CN2CC3(C2)CC(F)(F)C3)[nH+]1 ZINC001232458438 978086537 /nfs/dbraw/zinc/08/65/37/978086537.db2.gz KBFJFNGDNMJETH-UHFFFAOYSA-N 1 2 227.258 1.949 20 0 BDADLO Cc1[nH]c(CN2CCc3cccnc3C2)c[nH+]1 ZINC001232465153 978108995 /nfs/dbraw/zinc/10/89/95/978108995.db2.gz WJZYHLYLRNRMHQ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1[nH]cc(CN2CCc3cccnc3C2)[nH+]1 ZINC001232465153 978109002 /nfs/dbraw/zinc/10/90/02/978109002.db2.gz WJZYHLYLRNRMHQ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CCC1(O)CC[NH+](Cc2cnc(C)[nH]2)CC1 ZINC001232464132 978111788 /nfs/dbraw/zinc/11/17/88/978111788.db2.gz SXIZUSUJRUCUFJ-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO CCc1csc(C[NH+]2CC(COC)C2)n1 ZINC001232470728 978120524 /nfs/dbraw/zinc/12/05/24/978120524.db2.gz UZVKPUHKJVDFQD-UHFFFAOYSA-N 1 2 226.345 1.784 20 0 BDADLO CCc1csc(C[N@@H+]2CC[C@H]2COC)n1 ZINC001232476433 978127061 /nfs/dbraw/zinc/12/70/61/978127061.db2.gz AEZZQLMYYBLCBH-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CCc1csc(C[N@H+]2CC[C@H]2COC)n1 ZINC001232476433 978127064 /nfs/dbraw/zinc/12/70/64/978127064.db2.gz AEZZQLMYYBLCBH-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO C[N@H+](Cc1cc(F)ccc1N)C1COC1 ZINC001232511038 978159118 /nfs/dbraw/zinc/15/91/18/978159118.db2.gz PUCYVTHDTXTKGP-UHFFFAOYSA-N 1 2 210.252 1.239 20 0 BDADLO C[N@@H+](Cc1cc(F)ccc1N)C1COC1 ZINC001232511038 978159124 /nfs/dbraw/zinc/15/91/24/978159124.db2.gz PUCYVTHDTXTKGP-UHFFFAOYSA-N 1 2 210.252 1.239 20 0 BDADLO COc1ncnc(OC)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001232519096 978161935 /nfs/dbraw/zinc/16/19/35/978161935.db2.gz CRNRGNDMSTVKNI-KOLCDFICSA-N 1 2 249.314 1.478 20 0 BDADLO COc1ncnc(OC)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001232519096 978161938 /nfs/dbraw/zinc/16/19/38/978161938.db2.gz CRNRGNDMSTVKNI-KOLCDFICSA-N 1 2 249.314 1.478 20 0 BDADLO CCCOC1C[NH+](Cc2c[nH]c3nccnc23)C1 ZINC001232548637 978170268 /nfs/dbraw/zinc/17/02/68/978170268.db2.gz URUIRQUWFYWHEM-UHFFFAOYSA-N 1 2 246.314 1.520 20 0 BDADLO CC[C@H](F)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001337140484 978181500 /nfs/dbraw/zinc/18/15/00/978181500.db2.gz OWVPDRAEOAJQRI-UWVGGRQHSA-N 1 2 227.283 1.384 20 0 BDADLO C[C@H]1C[C@@H](CF)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001176829214 978193299 /nfs/dbraw/zinc/19/32/99/978193299.db2.gz NFJHGCLHDZGNLB-WPRPVWTQSA-N 1 2 225.267 1.159 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCc1ccncc1 ZINC001176833743 978198156 /nfs/dbraw/zinc/19/81/56/978198156.db2.gz USESFLDGBVUVBX-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CNc1ccccc1C[NH+]1CC(NC(C)=O)C1 ZINC001232671029 978222082 /nfs/dbraw/zinc/22/20/82/978222082.db2.gz IQKOULTXOZLHOX-UHFFFAOYSA-N 1 2 233.315 1.049 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cncc(O)c1 ZINC001176873546 978223914 /nfs/dbraw/zinc/22/39/14/978223914.db2.gz UGFKJCJQQYXJIX-UHFFFAOYSA-N 1 2 232.243 1.013 20 0 BDADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C2(CC2)C1 ZINC001176878124 978227633 /nfs/dbraw/zinc/22/76/33/978227633.db2.gz WSBVDMIGVDJOSA-NSHDSACASA-N 1 2 233.315 1.674 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)CCCF)C1=O ZINC001337238368 978237798 /nfs/dbraw/zinc/23/77/98/978237798.db2.gz VPTGKTVUABJUCJ-GFCCVEGCSA-N 1 2 244.310 1.411 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)CCCF)C1=O ZINC001337238368 978237808 /nfs/dbraw/zinc/23/78/08/978237808.db2.gz VPTGKTVUABJUCJ-GFCCVEGCSA-N 1 2 244.310 1.411 20 0 BDADLO CCCn1cnc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001232803145 978291925 /nfs/dbraw/zinc/29/19/25/978291925.db2.gz KRWYUZGNAUDFPQ-TXEJJXNPSA-N 1 2 247.342 1.704 20 0 BDADLO CCCn1cnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001232803145 978291941 /nfs/dbraw/zinc/29/19/41/978291941.db2.gz KRWYUZGNAUDFPQ-TXEJJXNPSA-N 1 2 247.342 1.704 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccnc(F)c2)c[nH+]1 ZINC001597251161 978302376 /nfs/dbraw/zinc/30/23/76/978302376.db2.gz PPSXMCMLCZTICP-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccnc(F)c2)[nH+]1 ZINC001597251161 978302386 /nfs/dbraw/zinc/30/23/86/978302386.db2.gz PPSXMCMLCZTICP-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO CC(C)(O)c1ccc(C[NH+]2CC3(COC3)C2)cn1 ZINC001232823030 978305891 /nfs/dbraw/zinc/30/58/91/978305891.db2.gz NUBACFRTOBDFGI-UHFFFAOYSA-N 1 2 248.326 1.141 20 0 BDADLO Cc1cc(-n2cc3cccc(N)c3n2)c[nH+]c1N ZINC001249787053 978392126 /nfs/dbraw/zinc/39/21/26/978392126.db2.gz FOEJOPPFWLEPQR-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO Cc1ncc(F)cc1C[N@H+](C)CCF ZINC001232994938 978396651 /nfs/dbraw/zinc/39/66/51/978396651.db2.gz WMNSKSKWHJJFOF-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+](C)CCF ZINC001232994938 978396665 /nfs/dbraw/zinc/39/66/65/978396665.db2.gz WMNSKSKWHJJFOF-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Cc1ccc(N[C@@H]2C=CS(=O)(=O)C2)[nH+]c1 ZINC000084131607 978399475 /nfs/dbraw/zinc/39/94/75/978399475.db2.gz JAQVUDWTJOPTHU-SECBINFHSA-N 1 2 224.285 1.113 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nncn2C)cc(C)n1 ZINC001177718637 978423661 /nfs/dbraw/zinc/42/36/61/978423661.db2.gz FWSXBVGKHIERGM-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO Oc1cccc(C[NH+]2CC3(C2)CCOC3)c1F ZINC001233050986 978441722 /nfs/dbraw/zinc/44/17/22/978441722.db2.gz XFPVMABCTLREGC-UHFFFAOYSA-N 1 2 237.274 1.754 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H]2CCO[C@H]2C1)n1cc[nH+]c1 ZINC001177921815 978471991 /nfs/dbraw/zinc/47/19/91/978471991.db2.gz CQFUHGAFLKTXEH-UTUOFQBUSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@H](C(=O)N1CCCO[C@@H](C)C1)n1cc[nH+]c1 ZINC001177922213 978473696 /nfs/dbraw/zinc/47/36/96/978473696.db2.gz PTNSNMVUZJLMGU-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H](C(=O)Nc1ccc(F)c(O)c1)n1cc[nH+]c1 ZINC001177925294 978475012 /nfs/dbraw/zinc/47/50/12/978475012.db2.gz GEJQMLCJVCJRLP-MRVPVSSYSA-N 1 2 249.245 1.928 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnc(C)c(C)c2)C[C@@H]1F ZINC001233156312 978476642 /nfs/dbraw/zinc/47/66/42/978476642.db2.gz KEGOBDWXOHJFGW-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnc(C)c(C)c2)C[C@@H]1F ZINC001233156312 978476647 /nfs/dbraw/zinc/47/66/47/978476647.db2.gz KEGOBDWXOHJFGW-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO Cc1cncnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177993452 978493121 /nfs/dbraw/zinc/49/31/21/978493121.db2.gz LKYUETJKQRBYSX-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO CCc1nccnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177992758 978494542 /nfs/dbraw/zinc/49/45/42/978494542.db2.gz DKRZMCCUXTXIHC-UHFFFAOYSA-N 1 2 245.286 1.333 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccc(C)c(O)c2)C1 ZINC001233229669 978498003 /nfs/dbraw/zinc/49/80/03/978498003.db2.gz QNEYWZCFGBGHBE-UHFFFAOYSA-N 1 2 235.283 1.305 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1O ZINC001233233121 978503214 /nfs/dbraw/zinc/50/32/14/978503214.db2.gz AQZUXYYPNSKBFO-RYUDHWBXSA-N 1 2 219.284 1.674 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1O ZINC001233233121 978503218 /nfs/dbraw/zinc/50/32/18/978503218.db2.gz AQZUXYYPNSKBFO-RYUDHWBXSA-N 1 2 219.284 1.674 20 0 BDADLO CNc1ccccc1C[NH2+]Cc1nnc(C)n1C ZINC001337806226 978503915 /nfs/dbraw/zinc/50/39/15/978503915.db2.gz RFAWSUCFIAVKGL-UHFFFAOYSA-N 1 2 245.330 1.455 20 0 BDADLO CCc1cc(Nc2[nH]c(C)c[nH+]2)n2ncnc2n1 ZINC001337810278 978507198 /nfs/dbraw/zinc/50/71/98/978507198.db2.gz VUISEUQWZQCVKH-UHFFFAOYSA-N 1 2 243.274 1.462 20 0 BDADLO c1cc2c(c(C[N@@H+]3CCO[C@@H]4C[C@@H]43)c1)CCO2 ZINC001233277640 978530097 /nfs/dbraw/zinc/53/00/97/978530097.db2.gz LGNIYKKBAFQCEX-GXTWGEPZSA-N 1 2 231.295 1.595 20 0 BDADLO c1cc2c(c(C[N@H+]3CCO[C@@H]4C[C@@H]43)c1)CCO2 ZINC001233277640 978530103 /nfs/dbraw/zinc/53/01/03/978530103.db2.gz LGNIYKKBAFQCEX-GXTWGEPZSA-N 1 2 231.295 1.595 20 0 BDADLO Cc1cc(C[NH+]2CC3(COC3)C2)sn1 ZINC001233309406 978533961 /nfs/dbraw/zinc/53/39/61/978533961.db2.gz IEBDDIMGXJODIF-UHFFFAOYSA-N 1 2 210.302 1.284 20 0 BDADLO CCN(C(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001337861804 978534372 /nfs/dbraw/zinc/53/43/72/978534372.db2.gz JKFMVPADMDVYDF-JTQLQIEISA-N 1 2 209.293 1.701 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001233321973 978562906 /nfs/dbraw/zinc/56/29/06/978562906.db2.gz MHXJLLZPOGEFNC-PHIMTYICSA-N 1 2 237.372 1.730 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001233321973 978562902 /nfs/dbraw/zinc/56/29/02/978562902.db2.gz MHXJLLZPOGEFNC-PHIMTYICSA-N 1 2 237.372 1.730 20 0 BDADLO Cc1nnc(CN(C)c2cc(F)cc(C)[nH+]2)o1 ZINC001337926613 978566264 /nfs/dbraw/zinc/56/62/64/978566264.db2.gz ZJQHPOSETQCHAM-UHFFFAOYSA-N 1 2 236.250 1.857 20 0 BDADLO F[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@@H]1F ZINC001233360714 978572321 /nfs/dbraw/zinc/57/23/21/978572321.db2.gz AWFWUMMJBHRENT-PHIMTYICSA-N 1 2 237.253 1.826 20 0 BDADLO Cc1cc2c(cn1)CN(Cc1cccc(N)[nH+]1)C2 ZINC001233371687 978583192 /nfs/dbraw/zinc/58/31/92/978583192.db2.gz DEZUZPUTHQQVGA-UHFFFAOYSA-N 1 2 240.310 1.883 20 0 BDADLO CCOC(=O)CN(CC)Cc1cccc(N)[nH+]1 ZINC001233372562 978588933 /nfs/dbraw/zinc/58/89/33/978588933.db2.gz UKBWSQZBDHDQSB-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)CC2(CCCC2)O1 ZINC001338026846 978592402 /nfs/dbraw/zinc/59/24/02/978592402.db2.gz GIMPDKFLYJWIJG-SNVBAGLBSA-N 1 2 248.330 1.597 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccc[nH]2)c[nH+]1 ZINC001178662387 978603554 /nfs/dbraw/zinc/60/35/54/978603554.db2.gz MRLZLCUBENMSRD-UHFFFAOYSA-N 1 2 218.260 1.230 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccc[nH]2)[nH+]1 ZINC001178662387 978603556 /nfs/dbraw/zinc/60/35/56/978603556.db2.gz MRLZLCUBENMSRD-UHFFFAOYSA-N 1 2 218.260 1.230 20 0 BDADLO Clc1cncc(C[NH+]2CC(C3COC3)C2)n1 ZINC001233446489 978603544 /nfs/dbraw/zinc/60/35/44/978603544.db2.gz YANZFOVFHNAILC-UHFFFAOYSA-N 1 2 239.706 1.208 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233451032 978609085 /nfs/dbraw/zinc/60/90/85/978609085.db2.gz UATWXZOINIPLBB-VIFPVBQESA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233451032 978609094 /nfs/dbraw/zinc/60/90/94/978609094.db2.gz UATWXZOINIPLBB-VIFPVBQESA-N 1 2 239.706 1.541 20 0 BDADLO COc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)no1 ZINC001178690613 978612321 /nfs/dbraw/zinc/61/23/21/978612321.db2.gz FYDBJIINZYFCBM-QMMMGPOBSA-N 1 2 239.275 1.106 20 0 BDADLO COc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC001178690613 978612327 /nfs/dbraw/zinc/61/23/27/978612327.db2.gz FYDBJIINZYFCBM-QMMMGPOBSA-N 1 2 239.275 1.106 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)/C=C\C1CC1 ZINC001233491886 978612746 /nfs/dbraw/zinc/61/27/46/978612746.db2.gz ZTYQZVOLLVOODG-RXNFCKPNSA-N 1 2 240.322 1.455 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)/C=C\C1CC1 ZINC001233491886 978612756 /nfs/dbraw/zinc/61/27/56/978612756.db2.gz ZTYQZVOLLVOODG-RXNFCKPNSA-N 1 2 240.322 1.455 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCS1 ZINC001338243562 978638919 /nfs/dbraw/zinc/63/89/19/978638919.db2.gz QPYQACKHZIDZHD-SNVBAGLBSA-N 1 2 236.340 1.954 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CC1CC1 ZINC001338241918 978640056 /nfs/dbraw/zinc/64/00/56/978640056.db2.gz IXYRXJKXSRURDB-UHFFFAOYSA-N 1 2 204.273 1.859 20 0 BDADLO Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)[O-])[nH+]1 ZINC001600541820 978701290 /nfs/dbraw/zinc/70/12/90/978701290.db2.gz FHYYBLYVAOGHKH-LLVKDONJSA-N 1 2 249.314 1.351 20 0 BDADLO Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)[O-])[nH+]1 ZINC001600541820 978701292 /nfs/dbraw/zinc/70/12/92/978701292.db2.gz FHYYBLYVAOGHKH-LLVKDONJSA-N 1 2 249.314 1.351 20 0 BDADLO C[C@H](C(=O)N(C)c1nccs1)n1cc[nH+]c1 ZINC001338781849 978734346 /nfs/dbraw/zinc/73/43/46/978734346.db2.gz MHHOYUPSMPXJEV-MRVPVSSYSA-N 1 2 236.300 1.564 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1ccon1 ZINC001338991067 978769357 /nfs/dbraw/zinc/76/93/57/978769357.db2.gz BUQPCYRJASUOJQ-UHFFFAOYSA-N 1 2 231.255 1.290 20 0 BDADLO Cc1c(=O)cc[nH]c1OC1C[NH+](C(C)C)C1 ZINC001234181750 978789433 /nfs/dbraw/zinc/78/94/33/978789433.db2.gz IOHNLUFXLDHLFU-UHFFFAOYSA-N 1 2 222.288 1.567 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)/C=C/C(F)(F)F ZINC001179932494 978795156 /nfs/dbraw/zinc/79/51/56/978795156.db2.gz MUDBXUBWAPKQMF-DUXPYHPUSA-N 1 2 247.220 1.197 20 0 BDADLO CCc1cccnc1OC[C@H]1C[N@H+](C)CCO1 ZINC001234576806 978862982 /nfs/dbraw/zinc/86/29/82/978862982.db2.gz DPFDMEXSJBMCNH-GFCCVEGCSA-N 1 2 236.315 1.353 20 0 BDADLO CCc1cccnc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001234576806 978862986 /nfs/dbraw/zinc/86/29/86/978862986.db2.gz DPFDMEXSJBMCNH-GFCCVEGCSA-N 1 2 236.315 1.353 20 0 BDADLO C[C@H](C(=O)N1CC(C)(C)C1)n1cc[nH+]c1 ZINC001339535194 978865369 /nfs/dbraw/zinc/86/53/69/978865369.db2.gz GPMPYNMMVCCARZ-SECBINFHSA-N 1 2 207.277 1.313 20 0 BDADLO CC(=O)Nc1ccc(OC2C[NH+](C)C2)c(C)c1 ZINC001234598079 978870773 /nfs/dbraw/zinc/87/07/73/978870773.db2.gz FCQGHELALXTBBU-UHFFFAOYSA-N 1 2 234.299 1.646 20 0 BDADLO C[NH+]1CC(NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001180449296 978888541 /nfs/dbraw/zinc/88/85/41/978888541.db2.gz MNBCUYAPGCJXSH-UHFFFAOYSA-N 1 2 224.226 1.005 20 0 BDADLO Cc1cc(F)cc(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC001339665743 978891938 /nfs/dbraw/zinc/89/19/38/978891938.db2.gz GTMVSCVLVDFEKW-SECBINFHSA-N 1 2 237.278 1.196 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC001339937940 978944179 /nfs/dbraw/zinc/94/41/79/978944179.db2.gz FHTVIBWDRGZUCA-ZETCQYMHSA-N 1 2 247.245 1.237 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1ncc(F)cn1 ZINC001235000767 978949165 /nfs/dbraw/zinc/94/91/65/978949165.db2.gz QFCQDOHUPMVVCN-JTQLQIEISA-N 1 2 225.267 1.227 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1ncc(F)cn1 ZINC001235000767 978949169 /nfs/dbraw/zinc/94/91/69/978949169.db2.gz QFCQDOHUPMVVCN-JTQLQIEISA-N 1 2 225.267 1.227 20 0 BDADLO CN1C[C@H]2C[C@@H](C1)[N@H+]2CCC(=O)c1ccccc1 ZINC001277916339 978953307 /nfs/dbraw/zinc/95/33/07/978953307.db2.gz JALIFOCSSQBAAZ-OKILXGFUSA-N 1 2 244.338 1.648 20 0 BDADLO CN1C[C@H]2C[C@@H](C1)[N@@H+]2CCC(=O)c1ccccc1 ZINC001277916339 978953310 /nfs/dbraw/zinc/95/33/10/978953310.db2.gz JALIFOCSSQBAAZ-OKILXGFUSA-N 1 2 244.338 1.648 20 0 BDADLO Sc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235079867 978971763 /nfs/dbraw/zinc/97/17/63/978971763.db2.gz PYIFNVBCHHUPOP-CHWSQXEVSA-N 1 2 234.368 1.912 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC(F)F ZINC001340130705 978975629 /nfs/dbraw/zinc/97/56/29/978975629.db2.gz DWVFUOCGXKGEOT-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC(F)F ZINC001340130705 978975638 /nfs/dbraw/zinc/97/56/38/978975638.db2.gz DWVFUOCGXKGEOT-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccc(CC)n2)C1 ZINC001235258153 979010379 /nfs/dbraw/zinc/01/03/79/979010379.db2.gz LALDKBMSCNPLRR-UHFFFAOYSA-N 1 2 248.326 1.639 20 0 BDADLO CC(C)(NC(=O)Cc1cc[nH+]c(N)c1)C1CC1 ZINC001181263700 979028265 /nfs/dbraw/zinc/02/82/65/979028265.db2.gz ATYIQKDWRWBLKN-UHFFFAOYSA-N 1 2 233.315 1.511 20 0 BDADLO CC[C@H](C)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264617 979028311 /nfs/dbraw/zinc/02/83/11/979028311.db2.gz KPCWMLPAAAGSPL-QMMMGPOBSA-N 1 2 207.277 1.121 20 0 BDADLO CC[NH+]1CCC([NH2+]Cc2ncccc2C)CC1 ZINC000071339152 979030613 /nfs/dbraw/zinc/03/06/13/979030613.db2.gz BOMHQXFOPUHUFD-UHFFFAOYSA-N 1 2 233.359 1.964 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCCCC12COC2 ZINC001235540300 979083406 /nfs/dbraw/zinc/08/34/06/979083406.db2.gz CGCUNLKPWFJREE-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCCCC12COC2 ZINC001235540300 979083423 /nfs/dbraw/zinc/08/34/23/979083423.db2.gz CGCUNLKPWFJREE-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1[nH+]cn(C)c1CN1Cc2ccncc2C1 ZINC001235546630 979083848 /nfs/dbraw/zinc/08/38/48/979083848.db2.gz AGXIQEUINAQHAY-UHFFFAOYSA-N 1 2 228.299 1.639 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001181458126 979108503 /nfs/dbraw/zinc/10/85/03/979108503.db2.gz NCUVREWTLTWVMA-CHWSQXEVSA-N 1 2 230.311 1.220 20 0 BDADLO O=C([O-])c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001602346284 979108677 /nfs/dbraw/zinc/10/86/77/979108677.db2.gz VQOLAEJXPYERIH-ZDUSSCGKSA-N 1 2 248.326 1.617 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)[C@@H]1CCCO1 ZINC001340811093 979116879 /nfs/dbraw/zinc/11/68/79/979116879.db2.gz WETZCSAZADSJHZ-NEPJUHHUSA-N 1 2 248.326 1.874 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCCOc1cc[nH+]cc1 ZINC001181512510 979132940 /nfs/dbraw/zinc/13/29/40/979132940.db2.gz QCYMTVRLDPYZSZ-LLVKDONJSA-N 1 2 236.315 1.869 20 0 BDADLO Cc1c(F)cccc1CC(=O)NC1C[NH+](C)C1 ZINC001181706586 979252103 /nfs/dbraw/zinc/25/21/03/979252103.db2.gz XESILPWKGXCMMN-UHFFFAOYSA-N 1 2 236.290 1.107 20 0 BDADLO CC(=O)NCCc1c[nH+]cn1Cc1ccccc1 ZINC001250016040 979261967 /nfs/dbraw/zinc/26/19/67/979261967.db2.gz BAKWHHGICICNMJ-UHFFFAOYSA-N 1 2 243.310 1.610 20 0 BDADLO CCC1(CC)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001181878055 979346470 /nfs/dbraw/zinc/34/64/70/979346470.db2.gz IVFLBVXVQHJKIW-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO COc1ccnc(NC(=O)C[C@H]([NH3+])C(F)F)c1 ZINC001341442778 979403961 /nfs/dbraw/zinc/40/39/61/979403961.db2.gz TUOWZHCPAHUEPH-ZETCQYMHSA-N 1 2 245.229 1.011 20 0 BDADLO C[C@]1(C[NH+]2CC(OC(F)F)C2)CCCCO1 ZINC001182228361 979475961 /nfs/dbraw/zinc/47/59/61/979475961.db2.gz XXGWRNYLRRCVDR-LLVKDONJSA-N 1 2 235.274 1.869 20 0 BDADLO Cn1nnc2ccc(-c3ccc(N)[nH+]c3)cc21 ZINC001236313586 979520325 /nfs/dbraw/zinc/52/03/25/979520325.db2.gz RALZULOBDSHXSC-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1nnc2n1CCC2 ZINC001341944748 979598291 /nfs/dbraw/zinc/59/82/91/979598291.db2.gz IVXYTYHRXDHEKR-QMMMGPOBSA-N 1 2 246.318 1.107 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1C[C@H](O)C1 ZINC001182641152 979598332 /nfs/dbraw/zinc/59/83/32/979598332.db2.gz QIRZPIQYBDZNGA-CZMCAQCFSA-N 1 2 231.255 1.044 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)[O-])[nH]1 ZINC001604248155 979606640 /nfs/dbraw/zinc/60/66/40/979606640.db2.gz XXUHLSBAFHZNIC-SECBINFHSA-N 1 2 248.286 1.088 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)N(C)CC(F)(F)F ZINC001182829780 979656116 /nfs/dbraw/zinc/65/61/16/979656116.db2.gz HDUNNRDJEPOYDH-QMMMGPOBSA-N 1 2 238.253 1.490 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)N(C)CC(F)(F)F ZINC001182829780 979656125 /nfs/dbraw/zinc/65/61/25/979656125.db2.gz HDUNNRDJEPOYDH-QMMMGPOBSA-N 1 2 238.253 1.490 20 0 BDADLO O=C(CC(F)F)Nc1ccn2cc[nH+]c2c1 ZINC001182963277 979680697 /nfs/dbraw/zinc/68/06/97/979680697.db2.gz XYVDRTSRHRJWAS-UHFFFAOYSA-N 1 2 225.198 1.928 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1)C1(C)COC1 ZINC001236711983 979701615 /nfs/dbraw/zinc/70/16/15/979701615.db2.gz YNGSYWBFWWLBKK-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1)C1(C)COC1 ZINC001236711983 979701627 /nfs/dbraw/zinc/70/16/27/979701627.db2.gz YNGSYWBFWWLBKK-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO CCOC(=O)c1cc(C[NH+]2CC(C)C2)[nH]n1 ZINC001237036362 979806155 /nfs/dbraw/zinc/80/61/55/979806155.db2.gz XJRFZJZBFTYRDF-UHFFFAOYSA-N 1 2 223.276 1.038 20 0 BDADLO OCCN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237042533 979808599 /nfs/dbraw/zinc/80/85/99/979808599.db2.gz NSMRVQOTMIVGDE-NSHDSACASA-N 1 2 248.317 1.174 20 0 BDADLO S=C1C=COC1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001237186751 979836043 /nfs/dbraw/zinc/83/60/43/979836043.db2.gz PFLWSUYFJXLNGC-VIFPVBQESA-N 1 2 224.329 1.458 20 0 BDADLO S=C1C=COC1CN1CC[N@H+]2CC[C@H]2C1 ZINC001237186751 979836050 /nfs/dbraw/zinc/83/60/50/979836050.db2.gz PFLWSUYFJXLNGC-VIFPVBQESA-N 1 2 224.329 1.458 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCN2CC[C@H]2C1 ZINC001237186751 979836054 /nfs/dbraw/zinc/83/60/54/979836054.db2.gz PFLWSUYFJXLNGC-VIFPVBQESA-N 1 2 224.329 1.458 20 0 BDADLO S=C1C=COC1C[N@H+]1CCN2CC[C@H]2C1 ZINC001237186751 979836055 /nfs/dbraw/zinc/83/60/55/979836055.db2.gz PFLWSUYFJXLNGC-VIFPVBQESA-N 1 2 224.329 1.458 20 0 BDADLO Cc1[nH]c(C[NH2+]C2(C(=O)[O-])CCCC2)c(C)[nH+]1 ZINC001605400656 979867109 /nfs/dbraw/zinc/86/71/09/979867109.db2.gz CFITXEMCFZAMID-UHFFFAOYSA-N 1 2 237.303 1.514 20 0 BDADLO Cc1ccc(CC(=O)OCc2c[nH+]cn2C)cn1 ZINC001342724277 979877831 /nfs/dbraw/zinc/87/78/31/979877831.db2.gz DOUOICCAKIUZKR-UHFFFAOYSA-N 1 2 245.282 1.409 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)CCF)cn1 ZINC001237439889 979891716 /nfs/dbraw/zinc/89/17/16/979891716.db2.gz BXEPLLJWUAVUDL-UHFFFAOYSA-N 1 2 226.251 1.270 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)CCF)cn1 ZINC001237439889 979891720 /nfs/dbraw/zinc/89/17/20/979891720.db2.gz BXEPLLJWUAVUDL-UHFFFAOYSA-N 1 2 226.251 1.270 20 0 BDADLO c1c(C[NH+]2CCSCC2)nn2ccccc12 ZINC001237448398 979897171 /nfs/dbraw/zinc/89/71/71/979897171.db2.gz XESPMNXROHUVEN-UHFFFAOYSA-N 1 2 233.340 1.883 20 0 BDADLO CC1CC(N(C)C(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001183931648 979902774 /nfs/dbraw/zinc/90/27/74/979902774.db2.gz LCZMQECAVXECRX-UHFFFAOYSA-N 1 2 247.342 1.853 20 0 BDADLO COc1c(C)cccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001237499059 979921156 /nfs/dbraw/zinc/92/11/56/979921156.db2.gz BLDXFAMRPRQMIV-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO COc1c(C)cccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001237499059 979921164 /nfs/dbraw/zinc/92/11/64/979921164.db2.gz BLDXFAMRPRQMIV-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cc(C)nn1C ZINC001237590548 979944299 /nfs/dbraw/zinc/94/42/99/979944299.db2.gz OPLNXWDTCNHLLA-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1c[nH+]cc1CN1CCCC(=O)[C@@H](F)C1 ZINC001237588408 979948157 /nfs/dbraw/zinc/94/81/57/979948157.db2.gz RVGMHHWLSHNJLN-NSHDSACASA-N 1 2 239.294 1.406 20 0 BDADLO CSCC[N@H+](C)Cc1nc(C)co1 ZINC001237642477 979993477 /nfs/dbraw/zinc/99/34/77/979993477.db2.gz KAIHOTBYRDRFHU-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO CSCC[N@@H+](C)Cc1nc(C)co1 ZINC001237642477 979993482 /nfs/dbraw/zinc/99/34/82/979993482.db2.gz KAIHOTBYRDRFHU-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@H](OC)C1 ZINC001237652855 980017400 /nfs/dbraw/zinc/01/74/00/980017400.db2.gz ZIGVBYUZTMWEDS-JTQLQIEISA-N 1 2 209.293 1.193 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@H](OC)C1 ZINC001237652855 980017409 /nfs/dbraw/zinc/01/74/09/980017409.db2.gz ZIGVBYUZTMWEDS-JTQLQIEISA-N 1 2 209.293 1.193 20 0 BDADLO CSCC(C)(C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC001343142670 980020485 /nfs/dbraw/zinc/02/04/85/980020485.db2.gz ODIXPMFPAFSMAV-ZCFIWIBFSA-N 1 2 240.319 1.227 20 0 BDADLO CC[C@@H](C)C(=O)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001184326644 980026885 /nfs/dbraw/zinc/02/68/85/980026885.db2.gz STJFFPIYVDMIOX-SECBINFHSA-N 1 2 240.347 1.201 20 0 BDADLO COC1(OC)CC(Nc2cc[nH+]c(C)n2)C1 ZINC001343207224 980040446 /nfs/dbraw/zinc/04/04/46/980040446.db2.gz XHIDUGJNMPIZQO-UHFFFAOYSA-N 1 2 223.276 1.348 20 0 BDADLO COCC[N@H+](C)Cc1ccc(OC)nc1Cl ZINC001237795362 980048526 /nfs/dbraw/zinc/04/85/26/980048526.db2.gz PJKVUPKFQCOSKQ-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO COCC[N@@H+](C)Cc1ccc(OC)nc1Cl ZINC001237795362 980048536 /nfs/dbraw/zinc/04/85/36/980048536.db2.gz PJKVUPKFQCOSKQ-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO Cc1nc(C[N@@H+](C)Cc2cnn(C)c2)ccc1F ZINC001237812392 980060484 /nfs/dbraw/zinc/06/04/84/980060484.db2.gz CZIAWLPWZRUTMJ-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1nc(C[N@H+](C)Cc2cnn(C)c2)ccc1F ZINC001237812392 980060495 /nfs/dbraw/zinc/06/04/95/980060495.db2.gz CZIAWLPWZRUTMJ-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)nc1 ZINC001237809289 980061695 /nfs/dbraw/zinc/06/16/95/980061695.db2.gz ZLIFSSKBMOAPKU-WDEREUQCSA-N 1 2 219.288 1.006 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)nc1 ZINC001237809289 980061702 /nfs/dbraw/zinc/06/17/02/980061702.db2.gz ZLIFSSKBMOAPKU-WDEREUQCSA-N 1 2 219.288 1.006 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccnn1C1CC1 ZINC001606918784 980062819 /nfs/dbraw/zinc/06/28/19/980062819.db2.gz BMAKNRUDSADGEL-JTQLQIEISA-N 1 2 234.303 1.251 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccnn1C1CC1 ZINC001606918784 980062831 /nfs/dbraw/zinc/06/28/31/980062831.db2.gz BMAKNRUDSADGEL-JTQLQIEISA-N 1 2 234.303 1.251 20 0 BDADLO CCc1ncc(C[NH+]2CC(C(=O)OC)C2)s1 ZINC001237821082 980072995 /nfs/dbraw/zinc/07/29/95/980072995.db2.gz IQKUHSQSGKVNMY-UHFFFAOYSA-N 1 2 240.328 1.310 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)COC1CC1 ZINC001343422838 980103440 /nfs/dbraw/zinc/10/34/40/980103440.db2.gz ZQNTYIFAIGZIBA-UHFFFAOYSA-N 1 2 238.287 1.075 20 0 BDADLO COc1ccoc1CN1CCc2[nH+]ccn2CC1 ZINC001237876450 980108999 /nfs/dbraw/zinc/10/89/99/980108999.db2.gz ODAZUWGDWRJBKB-UHFFFAOYSA-N 1 2 247.298 1.543 20 0 BDADLO COc1ccoc1C[N@@H+](C)CC(OC)OC ZINC001237874222 980109161 /nfs/dbraw/zinc/10/91/61/980109161.db2.gz KHSNTTJLEMLMNW-UHFFFAOYSA-N 1 2 229.276 1.339 20 0 BDADLO COc1ccoc1C[N@H+](C)CC(OC)OC ZINC001237874222 980109165 /nfs/dbraw/zinc/10/91/65/980109165.db2.gz KHSNTTJLEMLMNW-UHFFFAOYSA-N 1 2 229.276 1.339 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1C(=O)[O-] ZINC001607650037 980121301 /nfs/dbraw/zinc/12/13/01/980121301.db2.gz ROPOQJGKUDKULF-GXFFZTMASA-N 1 2 248.326 1.533 20 0 BDADLO O=C(CCn1cc[nH+]c1)NN1C[C@@H]2CCC[C@@H]2C1 ZINC001608164392 980171477 /nfs/dbraw/zinc/17/14/77/980171477.db2.gz ZBNIYTVUHCDFRN-TXEJJXNPSA-N 1 2 248.330 1.036 20 0 BDADLO CC[N@@H+](Cc1cc(C)[nH]n1)C[C@H](C)OC ZINC001343636131 980173571 /nfs/dbraw/zinc/17/35/71/980173571.db2.gz USNFITSMRCOPMK-JTQLQIEISA-N 1 2 211.309 1.575 20 0 BDADLO CC[N@H+](Cc1cc(C)[nH]n1)C[C@H](C)OC ZINC001343636131 980173579 /nfs/dbraw/zinc/17/35/79/980173579.db2.gz USNFITSMRCOPMK-JTQLQIEISA-N 1 2 211.309 1.575 20 0 BDADLO Cn1nncc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001238156755 980181331 /nfs/dbraw/zinc/18/13/31/980181331.db2.gz XSYSJPMWSSPNCE-SECBINFHSA-N 1 2 212.272 1.139 20 0 BDADLO Cn1nncc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001238156755 980181335 /nfs/dbraw/zinc/18/13/35/980181335.db2.gz XSYSJPMWSSPNCE-SECBINFHSA-N 1 2 212.272 1.139 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001238166293 980198349 /nfs/dbraw/zinc/19/83/49/980198349.db2.gz ZBLXVASLZHHLDR-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1ncncc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001238166293 980198355 /nfs/dbraw/zinc/19/83/55/980198355.db2.gz ZBLXVASLZHHLDR-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nocc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC001343973511 980301193 /nfs/dbraw/zinc/30/11/93/980301193.db2.gz WBLIVPPSPXULCM-NSHDSACASA-N 1 2 249.318 1.598 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)nn1 ZINC000074752239 980406936 /nfs/dbraw/zinc/40/69/36/980406936.db2.gz VNOQZTBKCUVRCK-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO Cn1ccc2c[nH+]c(/C=C/C(C)(C)O)nc21 ZINC001239139433 980459993 /nfs/dbraw/zinc/45/99/93/980459993.db2.gz JGZXKEJUSMKEPL-GQCTYLIASA-N 1 2 217.272 1.752 20 0 BDADLO CC(C)(O)/C=C/c1ccn2cc(N)[nH+]c2c1 ZINC001239152318 980466454 /nfs/dbraw/zinc/46/64/54/980466454.db2.gz XOXXZOIJYQBPMD-HWKANZROSA-N 1 2 217.272 1.701 20 0 BDADLO O=C([C@@H]1CCC=N1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001187365776 980504323 /nfs/dbraw/zinc/50/43/23/980504323.db2.gz RGWCZSGDRYMXSV-NSHDSACASA-N 1 2 246.314 1.349 20 0 BDADLO O=C([C@@H]1CCC=N1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001187365776 980504325 /nfs/dbraw/zinc/50/43/25/980504325.db2.gz RGWCZSGDRYMXSV-NSHDSACASA-N 1 2 246.314 1.349 20 0 BDADLO O=C([C@H]1CCC=N1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001187366029 980505938 /nfs/dbraw/zinc/50/59/38/980505938.db2.gz SNIVAYWUPCWNDS-GHMZBOCLSA-N 1 2 246.314 1.349 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001344972924 980509299 /nfs/dbraw/zinc/50/92/99/980509299.db2.gz WHHQNXFXCVKJDR-YUSALJHKSA-N 1 2 248.282 1.171 20 0 BDADLO C/C=C(/C)C(=O)OCc1c[nH+]cn1CC ZINC001344972804 980510103 /nfs/dbraw/zinc/51/01/03/980510103.db2.gz SCJGRJNGYOPEMZ-WTKPLQERSA-N 1 2 208.261 1.912 20 0 BDADLO CCN(C(=O)c1cc(C)cc(C)n1)C1C[NH+](C)C1 ZINC001188141871 980602848 /nfs/dbraw/zinc/60/28/48/980602848.db2.gz IHCZORVQUVVTML-UHFFFAOYSA-N 1 2 247.342 1.475 20 0 BDADLO CCN(C(=O)NCc1ccco1)C1C[NH+](C)C1 ZINC001188161937 980607438 /nfs/dbraw/zinc/60/74/38/980607438.db2.gz XCIJOZHASHEPRX-UHFFFAOYSA-N 1 2 237.303 1.125 20 0 BDADLO COc1cscc1C(=O)N1CC[NH+](C)CC1 ZINC001188296111 980630250 /nfs/dbraw/zinc/63/02/50/980630250.db2.gz IQNZKAPCCZEUNS-UHFFFAOYSA-N 1 2 240.328 1.144 20 0 BDADLO Cc1cccc(CC[NH+]2CCOCC2)c1O ZINC001250277355 980650063 /nfs/dbraw/zinc/65/00/63/980650063.db2.gz FXOWONWFTTVRRN-UHFFFAOYSA-N 1 2 221.300 1.575 20 0 BDADLO NC(=O)c1cccc(CCn2cc[nH+]c2)c1 ZINC001250315041 980753485 /nfs/dbraw/zinc/75/34/85/980753485.db2.gz BSDPMAONCCPFAL-UHFFFAOYSA-N 1 2 215.256 1.225 20 0 BDADLO C[S@@](=O)c1ccccc1CCn1cc[nH+]c1 ZINC001250316665 980756633 /nfs/dbraw/zinc/75/66/33/980756633.db2.gz RNTUJHAPPLJUIU-MRXNPFEDSA-N 1 2 234.324 1.863 20 0 BDADLO OCc1cncc(CCn2cc[nH+]c2)c1 ZINC001250318905 980756903 /nfs/dbraw/zinc/75/69/03/980756903.db2.gz LPBIRZHKJVQSIV-UHFFFAOYSA-N 1 2 203.245 1.013 20 0 BDADLO COc1ccc(CCn2cc[nH+]c2)c(C)n1 ZINC001250319935 980762246 /nfs/dbraw/zinc/76/22/46/980762246.db2.gz VYBIMXFUOUQCGX-UHFFFAOYSA-N 1 2 217.272 1.838 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1noc(C(F)F)n1 ZINC001346312157 980808687 /nfs/dbraw/zinc/80/86/87/980808687.db2.gz ISVYFIYRKOQSAA-VDTYLAMSSA-N 1 2 247.245 1.429 20 0 BDADLO COc1ncc(-c2ccc3[nH+]ccn3c2)cc1N ZINC001239637521 980824612 /nfs/dbraw/zinc/82/46/12/980824612.db2.gz XYPFZOYSWRWAAU-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO CC[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001346425947 980834055 /nfs/dbraw/zinc/83/40/55/980834055.db2.gz HQQADLZHCXLESM-NSHDSACASA-N 1 2 235.331 1.754 20 0 BDADLO O=C(c1ccccc1-n1cc[nH+]c1)N1CC=CC1 ZINC001190075021 980847245 /nfs/dbraw/zinc/84/72/45/980847245.db2.gz MNWSBFJJZDNTQW-UHFFFAOYSA-N 1 2 239.278 1.884 20 0 BDADLO CC[C@H](F)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001346799124 980908326 /nfs/dbraw/zinc/90/83/26/980908326.db2.gz KCUJBDVBQBUTIE-NSHDSACASA-N 1 2 238.262 1.419 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001346823037 980916958 /nfs/dbraw/zinc/91/69/58/980916958.db2.gz LWCLVEWDUPVXLS-RYUDHWBXSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)n(C)n1 ZINC001346842549 980919484 /nfs/dbraw/zinc/91/94/84/980919484.db2.gz PZKSJZAJZBCYRK-GXSJLCMTSA-N 1 2 246.318 1.116 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001346862090 980921639 /nfs/dbraw/zinc/92/16/39/980921639.db2.gz WCXVYVWDMKZQFQ-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001346871797 980923359 /nfs/dbraw/zinc/92/33/59/980923359.db2.gz XENIBXRUOXFHBN-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO CNc1cc(CNC(=O)N[C@@H]2CC[C@H]2C)cc[nH+]1 ZINC001346970003 980941612 /nfs/dbraw/zinc/94/16/12/980941612.db2.gz COMYHPGHDHNILK-MWLCHTKSSA-N 1 2 248.330 1.721 20 0 BDADLO CC(C)(C)C[N@H+](CCCO)Cc1nnc[nH]1 ZINC001347097970 980970828 /nfs/dbraw/zinc/97/08/28/980970828.db2.gz NJAJGSPTCDOPDD-UHFFFAOYSA-N 1 2 226.324 1.035 20 0 BDADLO CC(C)(C)C[N@@H+](CCCO)Cc1nnc[nH]1 ZINC001347097970 980970831 /nfs/dbraw/zinc/97/08/31/980970831.db2.gz NJAJGSPTCDOPDD-UHFFFAOYSA-N 1 2 226.324 1.035 20 0 BDADLO COc1ncc(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001239845437 980984012 /nfs/dbraw/zinc/98/40/12/980984012.db2.gz PJTUQVTYJBNVNS-UHFFFAOYSA-N 1 2 241.254 1.382 20 0 BDADLO CC(=O)N1CC[NH+](C[C@H](C)C(F)(F)F)CC1 ZINC000335708753 981092367 /nfs/dbraw/zinc/09/23/67/981092367.db2.gz BMJKMUGWJKDSCL-QMMMGPOBSA-N 1 2 238.253 1.349 20 0 BDADLO O=C([C@@H]1C[C@H]1F)N1CC(Oc2cc[nH+]cc2)C1 ZINC001347580242 981123045 /nfs/dbraw/zinc/12/30/45/981123045.db2.gz HENXNRQNTMGUHU-GHMZBOCLSA-N 1 2 236.246 1.029 20 0 BDADLO CN(C)c1cnc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240214678 981164635 /nfs/dbraw/zinc/16/46/35/981164635.db2.gz PNSBSSKIKWHCHL-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CC(C)[C@H]1C[N@H+](CC2=NOCC2)CCO1 ZINC001192548221 981169037 /nfs/dbraw/zinc/16/90/37/981169037.db2.gz ZUOMNQLNBLEUOV-LLVKDONJSA-N 1 2 212.293 1.120 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CC2=NOCC2)CCO1 ZINC001192548221 981169043 /nfs/dbraw/zinc/16/90/43/981169043.db2.gz ZUOMNQLNBLEUOV-LLVKDONJSA-N 1 2 212.293 1.120 20 0 BDADLO CC(C)(CNC(=O)[C@H]1C[C@@H]1F)n1cc[nH+]c1 ZINC001347832138 981187863 /nfs/dbraw/zinc/18/78/63/981187863.db2.gz OYJLVCIZRRQPEU-IUCAKERBSA-N 1 2 225.267 1.092 20 0 BDADLO Cc1nn(C)cc1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001240301602 981264759 /nfs/dbraw/zinc/26/47/59/981264759.db2.gz QVZREHAUQVUOCH-UHFFFAOYSA-N 1 2 239.282 1.976 20 0 BDADLO CON(C(=O)CCc1[nH+]ccn1C)C(C)C ZINC001348126400 981291829 /nfs/dbraw/zinc/29/18/29/981291829.db2.gz FNQZXZRPADCNTJ-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CCc1ccc(N2CC[C@H](CC(N)=O)C2)[nH+]c1 ZINC001348184137 981303988 /nfs/dbraw/zinc/30/39/88/981303988.db2.gz RWAMBENAUIAGKP-LLVKDONJSA-N 1 2 233.315 1.346 20 0 BDADLO CC(C)COC(=O)NCCOc1cc[nH+]cc1 ZINC001193870373 981489914 /nfs/dbraw/zinc/48/99/14/981489914.db2.gz GSWNOZJYPIZOHS-UHFFFAOYSA-N 1 2 238.287 1.843 20 0 BDADLO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)[nH]1 ZINC001193911245 981512326 /nfs/dbraw/zinc/51/23/26/981512326.db2.gz KNHXEAPFNFWRBP-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)co1 ZINC001349279454 981526547 /nfs/dbraw/zinc/52/65/47/981526547.db2.gz ZSHNKKLVGLBRIN-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CCCOC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001194150854 981580068 /nfs/dbraw/zinc/58/00/68/981580068.db2.gz ZWCDKQYWCNLDCW-UHFFFAOYSA-N 1 2 237.303 1.929 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[C@@H]1F ZINC001349575567 981584624 /nfs/dbraw/zinc/58/46/24/981584624.db2.gz VBEHHSZUTPTISI-BDAKNGLRSA-N 1 2 219.219 1.631 20 0 BDADLO CC(C)(C)COC(=O)NCCn1cc[nH+]c1 ZINC001194351175 981723666 /nfs/dbraw/zinc/72/36/66/981723666.db2.gz SXIYATHJDGCFGM-UHFFFAOYSA-N 1 2 225.292 1.655 20 0 BDADLO Cc1cc(NC(=O)N2CC(F)(F)C2)c(C)c[nH+]1 ZINC001350062226 981858013 /nfs/dbraw/zinc/85/80/13/981858013.db2.gz OKFVWNFXHQQVKX-UHFFFAOYSA-N 1 2 241.241 1.603 20 0 BDADLO CN(CCCF)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001350566321 982002599 /nfs/dbraw/zinc/00/25/99/982002599.db2.gz IHAAIFNWPNUNIF-UHFFFAOYSA-N 1 2 227.283 1.505 20 0 BDADLO O=C(NCc1c[nH+]cn1CCF)OCCF ZINC001194993007 982024065 /nfs/dbraw/zinc/02/40/65/982024065.db2.gz MJJYUMXAPIPSNO-UHFFFAOYSA-N 1 2 233.218 1.048 20 0 BDADLO CCOc1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001587848710 982096303 /nfs/dbraw/zinc/09/63/03/982096303.db2.gz PWGBPHHUXIRWAR-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO CC(C)N(CC1CC1)C(=O)CCc1[nH+]ccn1C ZINC001350891852 982114461 /nfs/dbraw/zinc/11/44/61/982114461.db2.gz FCMIAJLYBJFNDL-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3cnoc3)CC2)c1 ZINC001205696786 982187187 /nfs/dbraw/zinc/18/71/87/982187187.db2.gz HPSZJSGRQUWEDN-UHFFFAOYSA-N 1 2 247.298 1.585 20 0 BDADLO CCNC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001195308520 982189475 /nfs/dbraw/zinc/18/94/75/982189475.db2.gz HQTCFMVWUXZXIY-UHFFFAOYSA-N 1 2 221.329 1.299 20 0 BDADLO Nc1cc(-c2cnc3nccnc3c2)cc[nH+]1 ZINC001241162859 982299309 /nfs/dbraw/zinc/29/93/09/982299309.db2.gz JKJGTCIQZISCFE-UHFFFAOYSA-N 1 2 223.239 1.669 20 0 BDADLO COCCOc1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241169750 982314737 /nfs/dbraw/zinc/31/47/37/982314737.db2.gz AUAAYVSCKRTHQA-UHFFFAOYSA-N 1 2 245.282 1.751 20 0 BDADLO NC(=S)c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241170607 982316075 /nfs/dbraw/zinc/31/60/75/982316075.db2.gz RSCHLQGYYDDCMT-UHFFFAOYSA-N 1 2 229.308 1.965 20 0 BDADLO Cc1c(C(N)=O)cncc1-c1cc[nH+]c(N)c1 ZINC001241170807 982319716 /nfs/dbraw/zinc/31/97/16/982319716.db2.gz RWTJXERVSSNOPO-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO CCc1nnc2ccc(-c3cc[nH+]c(N)c3)cn21 ZINC001241170527 982319734 /nfs/dbraw/zinc/31/97/34/982319734.db2.gz MPBLPLUZVIFGJH-UHFFFAOYSA-N 1 2 239.282 1.936 20 0 BDADLO Cc1cc(-c2cc[nH+]c(N)c2)cnc1C(N)=O ZINC001241176258 982328701 /nfs/dbraw/zinc/32/87/01/982328701.db2.gz XLNZGGVPYCMCDY-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)o1 ZINC001203302191 982341988 /nfs/dbraw/zinc/34/19/88/982341988.db2.gz VWLLUJXLSSAFPC-TXEJJXNPSA-N 1 2 220.316 1.866 20 0 BDADLO C(C1=NOCC1)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC001196247760 982424425 /nfs/dbraw/zinc/42/44/25/982424425.db2.gz SCGXCQZQXIUZOE-WDEREUQCSA-N 1 2 210.277 1.016 20 0 BDADLO C(C1=NOCC1)[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC001196247760 982424431 /nfs/dbraw/zinc/42/44/31/982424431.db2.gz SCGXCQZQXIUZOE-WDEREUQCSA-N 1 2 210.277 1.016 20 0 BDADLO C[C@@H](C(=O)N1CCC(C)(F)CC1)n1cc[nH+]c1 ZINC001352054781 982449795 /nfs/dbraw/zinc/44/97/95/982449795.db2.gz PAOZHYYVQXGZRH-JTQLQIEISA-N 1 2 239.294 1.795 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859228 982489611 /nfs/dbraw/zinc/48/96/11/982489611.db2.gz JKZVLGOUUNVYCL-RYUDHWBXSA-N 1 2 225.263 1.561 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859228 982489616 /nfs/dbraw/zinc/48/96/16/982489616.db2.gz JKZVLGOUUNVYCL-RYUDHWBXSA-N 1 2 225.263 1.561 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)CCc1[nH+]ccn1C ZINC001352292054 982506524 /nfs/dbraw/zinc/50/65/24/982506524.db2.gz KZBVSKNPYPQHPR-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc2cc[nH]c2cn1 ZINC001300124483 982592381 /nfs/dbraw/zinc/59/23/81/982592381.db2.gz FACSQYRKACTCDN-LLVKDONJSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc2cc[nH]c2cn1 ZINC001300124483 982592386 /nfs/dbraw/zinc/59/23/86/982592386.db2.gz FACSQYRKACTCDN-LLVKDONJSA-N 1 2 244.298 1.596 20 0 BDADLO Cc1cccnc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001205820980 982648073 /nfs/dbraw/zinc/64/80/73/982648073.db2.gz AALMLTHEQYYGIK-VXGBXAGGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cccnc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001205820980 982648082 /nfs/dbraw/zinc/64/80/82/982648082.db2.gz AALMLTHEQYYGIK-VXGBXAGGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1nc2c(cncc2C2=CCC[N@@H+](C)C2)[nH]1 ZINC001241570689 982823141 /nfs/dbraw/zinc/82/31/41/982823141.db2.gz NAKJNQJUOWJBNR-UHFFFAOYSA-N 1 2 228.299 1.985 20 0 BDADLO Cc1nc2c(cncc2C2=CCC[N@H+](C)C2)[nH]1 ZINC001241570689 982823143 /nfs/dbraw/zinc/82/31/43/982823143.db2.gz NAKJNQJUOWJBNR-UHFFFAOYSA-N 1 2 228.299 1.985 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H](C)c2nncn2C)c1C ZINC001353355349 982847719 /nfs/dbraw/zinc/84/77/19/982847719.db2.gz ZZWIZQJBDOMYBE-VIFPVBQESA-N 1 2 234.307 1.006 20 0 BDADLO COCNC(=S)NCc1c[nH+]cn1C(C)C ZINC001198866047 982871679 /nfs/dbraw/zinc/87/16/79/982871679.db2.gz MCQJANYVDWYWHP-UHFFFAOYSA-N 1 2 242.348 1.032 20 0 BDADLO CCn1ccc(C[NH2+]Cc2c[nH]nc2C)n1 ZINC001199207897 982896455 /nfs/dbraw/zinc/89/64/55/982896455.db2.gz GEFUXHJUQGQOPL-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(C)nc2)[nH]1 ZINC001353592861 982899738 /nfs/dbraw/zinc/89/97/38/982899738.db2.gz IMDMTYRIFCGZEW-SSDOTTSWSA-N 1 2 232.291 1.062 20 0 BDADLO CCN(C(=O)C1=CC=CC1)C1C[NH+](C)C1 ZINC001199694697 982996175 /nfs/dbraw/zinc/99/61/75/982996175.db2.gz XYTXFLCNSHQIAW-UHFFFAOYSA-N 1 2 206.289 1.035 20 0 BDADLO Cc1cccnc1[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001353914411 983073541 /nfs/dbraw/zinc/07/35/41/983073541.db2.gz FLCRYLIERUWGIY-JTQLQIEISA-N 1 2 244.298 1.533 20 0 BDADLO C[C@@H](C(=O)N(C)C[Si](C)(C)C)n1cc[nH+]c1 ZINC001354081521 983143477 /nfs/dbraw/zinc/14/34/77/983143477.db2.gz QVADJAKXRLABRN-JTQLQIEISA-N 1 2 239.395 1.780 20 0 BDADLO Nc1ccc(Nc2cccnc2CO)c[nH+]1 ZINC001201279717 983158310 /nfs/dbraw/zinc/15/83/10/983158310.db2.gz YXWBCSHEZWHAJT-UHFFFAOYSA-N 1 2 216.244 1.295 20 0 BDADLO Nc1ccc(O)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201285827 983159856 /nfs/dbraw/zinc/15/98/56/983159856.db2.gz QIKOKZGBFFTJOL-UHFFFAOYSA-N 1 2 216.244 1.695 20 0 BDADLO Cc1cc(F)cc(N2CCN(C3CC3)C(=O)C2)[nH+]1 ZINC001354121490 983163572 /nfs/dbraw/zinc/16/35/72/983163572.db2.gz YQEJARZWPQCEAE-UHFFFAOYSA-N 1 2 249.289 1.340 20 0 BDADLO Nc1ccc(Nc2ccc(CO)cc2)c[nH+]1 ZINC001201286950 983164826 /nfs/dbraw/zinc/16/48/26/983164826.db2.gz JRNIYQMABVDDFL-UHFFFAOYSA-N 1 2 215.256 1.900 20 0 BDADLO Nc1ccc2c(=O)[nH]n(-c3ccc(N)[nH+]c3)c2c1 ZINC001201292322 983167985 /nfs/dbraw/zinc/16/79/85/983167985.db2.gz VDRZAPJIEAYFKC-UHFFFAOYSA-N 1 2 241.254 1.291 20 0 BDADLO Nc1ccc(Nc2ncccc2F)c[nH+]1 ZINC001201272700 983171498 /nfs/dbraw/zinc/17/14/98/983171498.db2.gz SXKILIOIYLNKLZ-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO CCc1ccc(N(C)C[C@H](C)C(=O)OC)[nH+]c1 ZINC001354140738 983172749 /nfs/dbraw/zinc/17/27/49/983172749.db2.gz KRISWTYCFIENBB-JTQLQIEISA-N 1 2 236.315 1.889 20 0 BDADLO CCc1ccc(N2C[C@H](C)[C@H](O)C2)[nH+]c1 ZINC001354150923 983173842 /nfs/dbraw/zinc/17/38/42/983173842.db2.gz HFPFRDGDRGTPII-GXSJLCMTSA-N 1 2 206.289 1.461 20 0 BDADLO CCOC(=O)c1cnoc1Nc1ccc(N)[nH+]c1 ZINC001201272443 983174046 /nfs/dbraw/zinc/17/40/46/983174046.db2.gz OKEWJKSFODWMGH-UHFFFAOYSA-N 1 2 248.242 1.572 20 0 BDADLO COC(=O)c1occc1Nc1ccc(N)[nH+]c1 ZINC001201275318 983174887 /nfs/dbraw/zinc/17/48/87/983174887.db2.gz ACGPFKKLMKOGJD-UHFFFAOYSA-N 1 2 233.227 1.787 20 0 BDADLO Cc1cnc(Nc2ccc(N)[nH+]c2)c(C)n1 ZINC001201276018 983175969 /nfs/dbraw/zinc/17/59/69/983175969.db2.gz OIKVCEGRDCXDOB-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO Cc1c(Nc2ccc(N)[nH+]c2)ncn1C ZINC001201278885 983178673 /nfs/dbraw/zinc/17/86/73/983178673.db2.gz PDCAYDOXEREGDG-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO Nc1cc(N2CCC[C@]3(CC3(F)F)C2)[nH+]cn1 ZINC001354226885 983207505 /nfs/dbraw/zinc/20/75/05/983207505.db2.gz JWYLHVTUSQGMNH-JTQLQIEISA-N 1 2 240.257 1.684 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H]1CC=CCC1 ZINC001201422699 983219911 /nfs/dbraw/zinc/21/99/11/983219911.db2.gz JHYPOTFKWMQTNE-UPJWGTAASA-N 1 2 235.327 1.775 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H]1CC=CCC1 ZINC001201422699 983219922 /nfs/dbraw/zinc/21/99/22/983219922.db2.gz JHYPOTFKWMQTNE-UPJWGTAASA-N 1 2 235.327 1.775 20 0 BDADLO CCc1cc(NC(=S)NC2CC2)cc[nH+]1 ZINC001200620787 983261247 /nfs/dbraw/zinc/26/12/47/983261247.db2.gz HTCMKAGNYXERPH-UHFFFAOYSA-N 1 2 221.329 1.515 20 0 BDADLO S=C(Nc1ccc2[nH+]ccn2c1)NC1CC1 ZINC001200621734 983265422 /nfs/dbraw/zinc/26/54/22/983265422.db2.gz XFSQQGIXPREBPK-UHFFFAOYSA-N 1 2 232.312 1.783 20 0 BDADLO S=C(Nc1cc[nH+]c2c1CCC2)NC1CC1 ZINC001200622123 983266652 /nfs/dbraw/zinc/26/66/52/983266652.db2.gz XVBJVOXLEAVTJA-UHFFFAOYSA-N 1 2 233.340 1.441 20 0 BDADLO Cc1cc(-c2ccc(=O)[nH]c2)c[nH+]c1N ZINC001242063432 983282108 /nfs/dbraw/zinc/28/21/08/983282108.db2.gz QHDVTUPEKAIBJS-UHFFFAOYSA-N 1 2 201.229 1.740 20 0 BDADLO COc1cc(C)nc(-c2c[nH+]c(N)cc2C)n1 ZINC001242072826 983311180 /nfs/dbraw/zinc/31/11/80/983311180.db2.gz RGAIFNBHJAHVIC-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cc2c(nn1)CCC2 ZINC001242078220 983325268 /nfs/dbraw/zinc/32/52/68/983325268.db2.gz UWMFFKNWICVVEW-UHFFFAOYSA-N 1 2 226.283 1.918 20 0 BDADLO Cc1noc2ncnc(-c3c[nH+]c(N)cc3C)c12 ZINC001242077332 983325500 /nfs/dbraw/zinc/32/55/00/983325500.db2.gz DMEKOPZCUYLRML-UHFFFAOYSA-N 1 2 241.254 1.879 20 0 BDADLO CCOCCOCC[NH2+][C@H](C)c1nc(C)no1 ZINC001354600275 983331177 /nfs/dbraw/zinc/33/11/77/983331177.db2.gz KSZXYKXOXXYYEM-SECBINFHSA-N 1 2 243.307 1.082 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cnc2ncn(C)c2n1 ZINC001242096246 983338441 /nfs/dbraw/zinc/33/84/41/983338441.db2.gz FBXNYZWYCRUTPO-UHFFFAOYSA-N 1 2 240.270 1.316 20 0 BDADLO CCC[N@@H+]1CCn2cc(CN3CCCC3)nc2C1 ZINC001201637824 983363855 /nfs/dbraw/zinc/36/38/55/983363855.db2.gz BRWVMOUMRYMISV-UHFFFAOYSA-N 1 2 248.374 1.705 20 0 BDADLO CCC[N@H+]1CCn2cc(CN3CCCC3)nc2C1 ZINC001201637824 983363859 /nfs/dbraw/zinc/36/38/59/983363859.db2.gz BRWVMOUMRYMISV-UHFFFAOYSA-N 1 2 248.374 1.705 20 0 BDADLO CNc1cc(N2C[C@H]3CCC[C@@H](C2)C3O)nc[nH+]1 ZINC001355237023 983452382 /nfs/dbraw/zinc/45/23/82/983452382.db2.gz DLDPSECUWFBUOD-HWYHXSKPSA-N 1 2 248.330 1.116 20 0 BDADLO CNc1cc(N2C[C@H]3CCC[C@@H](C2)C3O)[nH+]cn1 ZINC001355237023 983452395 /nfs/dbraw/zinc/45/23/95/983452395.db2.gz DLDPSECUWFBUOD-HWYHXSKPSA-N 1 2 248.330 1.116 20 0 BDADLO CCCC[C@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC001252106803 983650505 /nfs/dbraw/zinc/65/05/05/983650505.db2.gz QIBGXYXQMUKOTF-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO CN(C)c1cc(Cn2cccc(F)c2=O)cc[nH+]1 ZINC001473044476 983651521 /nfs/dbraw/zinc/65/15/21/983651521.db2.gz QTZSKNQFQCQGKB-UHFFFAOYSA-N 1 2 247.273 1.497 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1C[C@H]1C1CCC1)C(F)F ZINC001357653738 983750901 /nfs/dbraw/zinc/75/09/01/983750901.db2.gz BUMYADLVUARIRQ-DJLDLDEBSA-N 1 2 232.274 1.274 20 0 BDADLO CCC[C@H](O)C[NH+]1CC(Oc2cccnc2)C1 ZINC001252783697 983884839 /nfs/dbraw/zinc/88/48/39/983884839.db2.gz IYAHNQHJRFTQCL-NSHDSACASA-N 1 2 236.315 1.306 20 0 BDADLO CCCn1c[nH+]cc1CN(C1CC1)C1COC1 ZINC001474541387 983908528 /nfs/dbraw/zinc/90/85/28/983908528.db2.gz KMPWSLPGFVMPGP-UHFFFAOYSA-N 1 2 235.331 1.656 20 0 BDADLO CCCCOC(=O)NCCOc1cc[nH+]cc1 ZINC000149551172 983944820 /nfs/dbraw/zinc/94/48/20/983944820.db2.gz VOLCKXVALLEFPR-UHFFFAOYSA-N 1 2 238.287 1.987 20 0 BDADLO OC[C@H]1C[N@H+](Cc2cc[nH]n2)C[C@@H]1C(F)(F)F ZINC001137125238 983962160 /nfs/dbraw/zinc/96/21/60/983962160.db2.gz WBXCTGZXMMTUFC-APPZFPTMSA-N 1 2 249.236 1.012 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@H]1C(F)(F)F ZINC001137125238 983962170 /nfs/dbraw/zinc/96/21/70/983962170.db2.gz WBXCTGZXMMTUFC-APPZFPTMSA-N 1 2 249.236 1.012 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1ccc(Cl)o1)C2 ZINC001274161973 984274363 /nfs/dbraw/zinc/27/43/63/984274363.db2.gz LXNMNHRNSKNRAF-UHFFFAOYSA-N 1 2 240.690 1.463 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1ccc(Cl)o1)C2 ZINC001274161973 984274370 /nfs/dbraw/zinc/27/43/70/984274370.db2.gz LXNMNHRNSKNRAF-UHFFFAOYSA-N 1 2 240.690 1.463 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cn(C)cn2)cc[nH+]1 ZINC001435759275 984300451 /nfs/dbraw/zinc/30/04/51/984300451.db2.gz YRIVZZBDLKCHBQ-ARJAWSKDSA-N 1 2 242.282 1.197 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000389344765 984330717 /nfs/dbraw/zinc/33/07/17/984330717.db2.gz TYEZLUTWZWMREL-BQBZGAKWSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000389344765 984330725 /nfs/dbraw/zinc/33/07/25/984330725.db2.gz TYEZLUTWZWMREL-BQBZGAKWSA-N 1 2 225.210 1.432 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC3(CC[N@H+]3C)C2)cn1 ZINC001274483023 984345166 /nfs/dbraw/zinc/34/51/66/984345166.db2.gz FUWTZQWMGAEVTP-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC3(CC[N@@H+]3C)C2)cn1 ZINC001274483023 984345175 /nfs/dbraw/zinc/34/51/75/984345175.db2.gz FUWTZQWMGAEVTP-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO CCNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001440562477 984424755 /nfs/dbraw/zinc/42/47/55/984424755.db2.gz FQOAJLOOUWRIHX-UHFFFAOYSA-N 1 2 241.294 1.997 20 0 BDADLO CN1CCC12C[NH+](Cc1ccc3cc[nH]c3n1)C2 ZINC001275033746 984442389 /nfs/dbraw/zinc/44/23/89/984442389.db2.gz BNCQTVRMMBKMKQ-UHFFFAOYSA-N 1 2 242.326 1.453 20 0 BDADLO Cc1nc2[nH]cnc2cc1-c1c[nH+]cn1C ZINC001243066698 984477259 /nfs/dbraw/zinc/47/72/59/984477259.db2.gz AAHURBMBFIUVPT-UHFFFAOYSA-N 1 2 213.244 1.667 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(ccc(=O)n2C)c1 ZINC001243068038 984484549 /nfs/dbraw/zinc/48/45/49/984484549.db2.gz SYQXRKZDICLRJX-UHFFFAOYSA-N 1 2 239.278 1.939 20 0 BDADLO COc1cc(-c2c[nH+]cn2C)cnc1C ZINC001243069470 984488824 /nfs/dbraw/zinc/48/88/24/984488824.db2.gz RUMLQMMVPUZHBB-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2nccc(=O)n2c1 ZINC001243068425 984489970 /nfs/dbraw/zinc/48/99/70/984489970.db2.gz WRXWRDGIUMJQLL-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO COC(=O)c1nccc(-c2c[nH+]cn2C)c1C ZINC001243070526 984494241 /nfs/dbraw/zinc/49/42/41/984494241.db2.gz GXWPWKNFBMETRQ-UHFFFAOYSA-N 1 2 231.255 1.577 20 0 BDADLO COCOc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243070919 984497716 /nfs/dbraw/zinc/49/77/16/984497716.db2.gz CCAOYWSAVCFONR-UHFFFAOYSA-N 1 2 219.244 1.465 20 0 BDADLO C=C/C=C\CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001444453139 984557083 /nfs/dbraw/zinc/55/70/83/984557083.db2.gz DLNTWUJHSYJHMH-QMAVJUDZSA-N 1 2 233.315 1.768 20 0 BDADLO CN(Cc1cccc(N)[nH+]1)Cc1ncccn1 ZINC000718902700 984563615 /nfs/dbraw/zinc/56/36/15/984563615.db2.gz RDGXDOBWCWUGKK-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO COC(=O)c1cncc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001243148688 984608355 /nfs/dbraw/zinc/60/83/55/984608355.db2.gz DZJGGPQSGKKAIV-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO CCOc1ccc(C[NH+]2CC3(CCN3C)C2)cc1 ZINC001275841609 984690093 /nfs/dbraw/zinc/69/00/93/984690093.db2.gz YWNDVBBXGULGTD-UHFFFAOYSA-N 1 2 246.354 1.975 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1ccnn1C ZINC000380163993 984799088 /nfs/dbraw/zinc/79/90/88/984799088.db2.gz CAIRODLBDXJKIY-VIFPVBQESA-N 1 2 202.261 1.988 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1ccnn1C ZINC000380163991 984799535 /nfs/dbraw/zinc/79/95/35/984799535.db2.gz CAIRODLBDXJKIY-SECBINFHSA-N 1 2 202.261 1.988 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000385093922 984889622 /nfs/dbraw/zinc/88/96/22/984889622.db2.gz YLTKHRDFAQULJN-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000385093922 984889626 /nfs/dbraw/zinc/88/96/26/984889626.db2.gz YLTKHRDFAQULJN-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO CNc1cc(N2CCC[C@@H](OC)CC2)nc[nH+]1 ZINC000691957134 984993591 /nfs/dbraw/zinc/99/35/91/984993591.db2.gz TYAZEXBEJGWJFL-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2CCC[C@@H](OC)CC2)[nH+]cn1 ZINC000691957134 984993604 /nfs/dbraw/zinc/99/36/04/984993604.db2.gz TYAZEXBEJGWJFL-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO COc1nccc(-c2ccc[nH+]c2N)c1N ZINC001243474080 985024190 /nfs/dbraw/zinc/02/41/90/985024190.db2.gz JCUKGSGZFQEYIV-UHFFFAOYSA-N 1 2 216.244 1.317 20 0 BDADLO Cn1c(-c2ccc[nH+]c2N)cccc1=O ZINC001243475488 985029995 /nfs/dbraw/zinc/02/99/95/985029995.db2.gz JVQLPUJVFDDMLP-UHFFFAOYSA-N 1 2 201.229 1.030 20 0 BDADLO COC(=O)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243474790 985030168 /nfs/dbraw/zinc/03/01/68/985030168.db2.gz RVKZCBNCUMNAEC-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO C[C@H](C(=O)Nc1ccns1)n1cc[nH+]c1 ZINC001454379302 985032614 /nfs/dbraw/zinc/03/26/14/985032614.db2.gz VVGWUVDBHTYIPE-SSDOTTSWSA-N 1 2 222.273 1.539 20 0 BDADLO CNC(=O)Cc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243476968 985036211 /nfs/dbraw/zinc/03/62/11/985036211.db2.gz XAQDBSDAKQHOIA-UHFFFAOYSA-N 1 2 241.294 1.619 20 0 BDADLO CC(C)Cn1cc(-c2ccc[nH+]c2N)cnc1=O ZINC001243477030 985037263 /nfs/dbraw/zinc/03/72/63/985037263.db2.gz HGPJMEPWAWQDBK-UHFFFAOYSA-N 1 2 244.298 1.544 20 0 BDADLO CCc1[nH]c(CNC(=O)C(C)(C)C(F)F)c[nH+]1 ZINC001456142002 985113462 /nfs/dbraw/zinc/11/34/62/985113462.db2.gz CWWYVYRGEJZGAC-UHFFFAOYSA-N 1 2 245.273 1.880 20 0 BDADLO CCc1[nH]cc(CNC(=O)C(C)(C)C(F)F)[nH+]1 ZINC001456142002 985113471 /nfs/dbraw/zinc/11/34/71/985113471.db2.gz CWWYVYRGEJZGAC-UHFFFAOYSA-N 1 2 245.273 1.880 20 0 BDADLO CCc1[nH]c(CNC(=O)Cc2ccccc2)c[nH+]1 ZINC001456144565 985118503 /nfs/dbraw/zinc/11/85/03/985118503.db2.gz WYZMFAOMUGKSHL-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CCc1[nH]cc(CNC(=O)Cc2ccccc2)[nH+]1 ZINC001456144565 985118514 /nfs/dbraw/zinc/11/85/14/985118514.db2.gz WYZMFAOMUGKSHL-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cc[nH]c1 ZINC001456249655 985126877 /nfs/dbraw/zinc/12/68/77/985126877.db2.gz PGJRPTMWYPGNJG-UHFFFAOYSA-N 1 2 244.298 1.547 20 0 BDADLO Cc1nocc1-c1cc(N2CCOCC2)cc[nH+]1 ZINC001243674093 985163457 /nfs/dbraw/zinc/16/34/57/985163457.db2.gz MRPFJEHELFFWPM-UHFFFAOYSA-N 1 2 245.282 1.882 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(O)cc1F ZINC001546088557 985192879 /nfs/dbraw/zinc/19/28/79/985192879.db2.gz TUNPOFUSNWDNOB-UHFFFAOYSA-N 1 2 249.245 1.744 20 0 BDADLO O=C1CCC[N@H+]([C@@H]2CCCSC2)C[C@@H]1F ZINC001257673592 985248295 /nfs/dbraw/zinc/24/82/95/985248295.db2.gz ZLETVKOAMNMXRX-ZJUUUORDSA-N 1 2 231.336 1.885 20 0 BDADLO O=C1CCC[N@@H+]([C@@H]2CCCSC2)C[C@@H]1F ZINC001257673592 985248311 /nfs/dbraw/zinc/24/83/11/985248311.db2.gz ZLETVKOAMNMXRX-ZJUUUORDSA-N 1 2 231.336 1.885 20 0 BDADLO Nc1ncc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001243879341 985558386 /nfs/dbraw/zinc/55/83/86/985558386.db2.gz WSCPUPCQUHDHQB-UHFFFAOYSA-N 1 2 213.244 1.089 20 0 BDADLO CCOC(=O)c1ncnc(C2=C[NH2+]CCC2)c1C ZINC001243948628 985626738 /nfs/dbraw/zinc/62/67/38/985626738.db2.gz BOQPKSDZLNFLJG-UHFFFAOYSA-N 1 2 247.298 1.686 20 0 BDADLO COCc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243949025 985635381 /nfs/dbraw/zinc/63/53/81/985635381.db2.gz HCHNCPCEQHMWJV-UHFFFAOYSA-N 1 2 205.261 1.347 20 0 BDADLO CNC(=O)c1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243950184 985643461 /nfs/dbraw/zinc/64/34/61/985643461.db2.gz XJPRFEDDHCMBHX-UHFFFAOYSA-N 1 2 217.272 1.166 20 0 BDADLO c1ncc(C2=C[NH2+]CCC2)c2onnc12 ZINC001243951790 985653519 /nfs/dbraw/zinc/65/35/19/985653519.db2.gz ALTYXCVULRPSQS-UHFFFAOYSA-N 1 2 202.217 1.342 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccc3ccnn32)C[C@@H](C)O1 ZINC001138804319 985857671 /nfs/dbraw/zinc/85/76/71/985857671.db2.gz GBJKUOFAMHHAGE-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO CSC1CC([NH2+]CC(F)(F)CN)C1 ZINC001579367033 985860859 /nfs/dbraw/zinc/86/08/59/985860859.db2.gz IUTYKHPFCUEZMM-UHFFFAOYSA-N 1 2 210.293 1.064 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](C)Cc1ncccn1 ZINC001460687069 985875635 /nfs/dbraw/zinc/87/56/35/985875635.db2.gz LGUUPQQRKTVQRX-LLVKDONJSA-N 1 2 223.320 1.315 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1ncccn1 ZINC001460687069 985875643 /nfs/dbraw/zinc/87/56/43/985875643.db2.gz LGUUPQQRKTVQRX-LLVKDONJSA-N 1 2 223.320 1.315 20 0 BDADLO Cc1cc(C[NH+]2CC(c3cccnc3)C2)nn1C ZINC001138830774 985891325 /nfs/dbraw/zinc/89/13/25/985891325.db2.gz NCHOJWCWVXJDJV-UHFFFAOYSA-N 1 2 242.326 1.723 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccs1 ZINC001461297001 986037635 /nfs/dbraw/zinc/03/76/35/986037635.db2.gz HUOYTJVBVABIAK-DGCLKSJQSA-N 1 2 246.335 1.891 20 0 BDADLO OCc1cc[nH+]c(NCc2ccon2)c1 ZINC001461593683 986092361 /nfs/dbraw/zinc/09/23/61/986092361.db2.gz JJYWUFYFYNBMNV-UHFFFAOYSA-N 1 2 205.217 1.174 20 0 BDADLO Cn1cncc1C[NH2+]Cc1nc2ccccc2o1 ZINC001461709557 986117909 /nfs/dbraw/zinc/11/79/09/986117909.db2.gz YTRSSISDNJSLHA-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cn1c[nH+]cc1CNCc1nc2ccccc2o1 ZINC001461709557 986117920 /nfs/dbraw/zinc/11/79/20/986117920.db2.gz YTRSSISDNJSLHA-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC001258778764 986165374 /nfs/dbraw/zinc/16/53/74/986165374.db2.gz KLSONHNHRPERPS-SRVKXCTJSA-N 1 2 245.363 1.715 20 0 BDADLO c1n[nH]c(C[NH2+][C@@H]2CCc3cccnc3CC2)n1 ZINC001461839946 986194060 /nfs/dbraw/zinc/19/40/60/986194060.db2.gz ABYQFLOWDGYLLF-LLVKDONJSA-N 1 2 243.314 1.237 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1F ZINC001038002531 986241744 /nfs/dbraw/zinc/24/17/44/986241744.db2.gz LPVAEIFBLXTEON-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1F ZINC001038002531 986241753 /nfs/dbraw/zinc/24/17/53/986241753.db2.gz LPVAEIFBLXTEON-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO Nc1[nH+]cccc1-c1cccc(F)c1CO ZINC001244561239 986246187 /nfs/dbraw/zinc/24/61/87/986246187.db2.gz QUJGNWCLEGGQGC-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC001258810983 986269995 /nfs/dbraw/zinc/26/99/95/986269995.db2.gz UDPQQXIJDJASLT-DDHJBXDOSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N)c2nccn21 ZINC001462241304 986319730 /nfs/dbraw/zinc/31/97/30/986319730.db2.gz VXMUSUUSFFOMHI-MWLCHTKSSA-N 1 2 243.314 1.656 20 0 BDADLO CC(C)[C@H](O)C[NH2+]CC(F)(F)c1ccccn1 ZINC001253782165 986418333 /nfs/dbraw/zinc/41/83/33/986418333.db2.gz GXQCYOKWQWPRRO-SNVBAGLBSA-N 1 2 244.285 1.780 20 0 BDADLO CNc1cc(N[C@H]2CSC[C@@H]2C)nc[nH+]1 ZINC000397893719 986465408 /nfs/dbraw/zinc/46/54/08/986465408.db2.gz RBNNRGBAACCCJG-YUMQZZPRSA-N 1 2 224.333 1.682 20 0 BDADLO CNc1cc(N[C@H]2CSC[C@@H]2C)[nH+]cn1 ZINC000397893719 986465414 /nfs/dbraw/zinc/46/54/14/986465414.db2.gz RBNNRGBAACCCJG-YUMQZZPRSA-N 1 2 224.333 1.682 20 0 BDADLO COc1nc(C[NH2+]Cc2cnccn2)ccc1C ZINC001462658061 986486556 /nfs/dbraw/zinc/48/65/56/986486556.db2.gz BQUJISDWZAURFI-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO Cc1ccnc(N)c1C[NH2+]Cc1cnccn1 ZINC001462660682 986488971 /nfs/dbraw/zinc/48/89/71/986488971.db2.gz ODAAUHARTKMBSA-UHFFFAOYSA-N 1 2 229.287 1.052 20 0 BDADLO Cc1c(CN2CCCC(=O)C2)[nH+]c2ccccn12 ZINC001137273206 986712274 /nfs/dbraw/zinc/71/22/74/986712274.db2.gz IBTWELUBJUREGW-UHFFFAOYSA-N 1 2 243.310 1.808 20 0 BDADLO Cc1c(CN(C)C2(C)COC2)[nH+]c2ccccn21 ZINC001137273219 986713118 /nfs/dbraw/zinc/71/31/18/986713118.db2.gz IPAYDTUVQWYAPS-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)c(O)c1 ZINC001465891544 986746384 /nfs/dbraw/zinc/74/63/84/986746384.db2.gz UKIGSWRYXIODRF-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2cccc(F)c21 ZINC001465873738 986748746 /nfs/dbraw/zinc/74/87/46/986748746.db2.gz KDOCZQIQGUIWBQ-LBPRGKRZSA-N 1 2 248.301 1.809 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CCc2cccc(F)c21 ZINC001465873738 986748765 /nfs/dbraw/zinc/74/87/65/986748765.db2.gz KDOCZQIQGUIWBQ-LBPRGKRZSA-N 1 2 248.301 1.809 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(O)c(F)c1 ZINC001465954207 986755328 /nfs/dbraw/zinc/75/53/28/986755328.db2.gz FYGAQBHHNXPUOD-UHFFFAOYSA-N 1 2 249.245 1.113 20 0 BDADLO Cc1cc(C)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)[nH]1 ZINC001137329513 986783631 /nfs/dbraw/zinc/78/36/31/986783631.db2.gz CVZSSZBKNWSRTI-PHIMTYICSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)[nH]1 ZINC001137329513 986783643 /nfs/dbraw/zinc/78/36/43/986783643.db2.gz CVZSSZBKNWSRTI-PHIMTYICSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC(=O)N3CCC[C@H]3C2)[nH]1 ZINC001137329846 986789182 /nfs/dbraw/zinc/78/91/82/986789182.db2.gz RKXAGKJRBPHOIN-LBPRGKRZSA-N 1 2 247.342 1.438 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)[nH]1 ZINC001137329846 986789193 /nfs/dbraw/zinc/78/91/93/986789193.db2.gz RKXAGKJRBPHOIN-LBPRGKRZSA-N 1 2 247.342 1.438 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC001592632783 986798694 /nfs/dbraw/zinc/79/86/94/986798694.db2.gz SGVYAYSBSNAMOX-ZETCQYMHSA-N 1 2 237.238 1.004 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@@H+]1CCOC2(CC2)C1 ZINC001137352330 986818422 /nfs/dbraw/zinc/81/84/22/986818422.db2.gz XAWKSZZFVRSQCI-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@H+]1CCOC2(CC2)C1 ZINC001137352330 986818426 /nfs/dbraw/zinc/81/84/26/986818426.db2.gz XAWKSZZFVRSQCI-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001467286183 986841892 /nfs/dbraw/zinc/84/18/92/986841892.db2.gz CWTCWVAXFYWZEP-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccccc1CC(N)=O ZINC001245448300 986852006 /nfs/dbraw/zinc/85/20/06/986852006.db2.gz RWNRAEKQHDJUER-DXNUHORPSA-N 1 2 216.284 1.590 20 0 BDADLO Cc1cc(-c2cncc(C(N)=O)c2)c[nH+]c1N ZINC001245535909 986906775 /nfs/dbraw/zinc/90/67/75/986906775.db2.gz DMZFUEFFWRBJGI-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cc1cc(-c2cccc3ncnn32)c[nH+]c1N ZINC001245535895 986912479 /nfs/dbraw/zinc/91/24/79/986912479.db2.gz DEGDBXZJBOQCQO-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1cc(-c2ccc(N)cn2)c[nH+]c1N ZINC001245535977 986915014 /nfs/dbraw/zinc/91/50/14/986915014.db2.gz JIDUEZXZKWWKQX-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO C[NH2+]C[C@@H](C)CNc1[nH+]cccc1C(=O)[O-] ZINC001593797591 986927379 /nfs/dbraw/zinc/92/73/79/986927379.db2.gz RCDJGBANLSLUID-MRVPVSSYSA-N 1 2 223.276 1.047 20 0 BDADLO Nc1cc(-c2cnc3c(c2)NCCO3)cc[nH+]1 ZINC001245550366 986938572 /nfs/dbraw/zinc/93/85/72/986938572.db2.gz XBGMGWXYHBBILN-UHFFFAOYSA-N 1 2 228.255 1.530 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2n[nH]cc2F)c[nH+]1 ZINC001469004522 986958502 /nfs/dbraw/zinc/95/85/02/986958502.db2.gz JMWSXKMENVQTTN-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001255576421 987026863 /nfs/dbraw/zinc/02/68/63/987026863.db2.gz YFYYFNSPLJPLNU-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO COC[C@@H](C)[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001255576421 987026873 /nfs/dbraw/zinc/02/68/73/987026873.db2.gz YFYYFNSPLJPLNU-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCc2oc(C)nc2C1 ZINC001255577589 987029488 /nfs/dbraw/zinc/02/94/88/987029488.db2.gz IVXSYXJMZAWSMT-MRVPVSSYSA-N 1 2 210.277 1.376 20 0 BDADLO COC[C@@H](C)[N@H+]1CCc2oc(C)nc2C1 ZINC001255577589 987029499 /nfs/dbraw/zinc/02/94/99/987029499.db2.gz IVXSYXJMZAWSMT-MRVPVSSYSA-N 1 2 210.277 1.376 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1ncnn1C ZINC001255639791 987038557 /nfs/dbraw/zinc/03/85/57/987038557.db2.gz ABFBHZYTVRSCBC-UWVGGRQHSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001255647373 987046302 /nfs/dbraw/zinc/04/63/02/987046302.db2.gz UJDRPXSJSGCKEY-BWZBUEFSSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001255647373 987046315 /nfs/dbraw/zinc/04/63/15/987046315.db2.gz UJDRPXSJSGCKEY-BWZBUEFSSA-N 1 2 229.217 1.732 20 0 BDADLO COC(=O)c1ccc(/C(C)=C/C=C/[NH3+])cc1N ZINC001245900470 987131497 /nfs/dbraw/zinc/13/14/97/987131497.db2.gz OGDHWMCASZSXGK-DDEWIXKASA-N 1 2 232.283 1.931 20 0 BDADLO CC(C)c1cc(=O)n(Cc2[nH+]ccn2C)[nH]1 ZINC001245917175 987152001 /nfs/dbraw/zinc/15/20/01/987152001.db2.gz GHTSWVJNXGYVQW-UHFFFAOYSA-N 1 2 220.276 1.494 20 0 BDADLO O=C1CC(C2CC[NH2+]CC2)=NN1C1CC1 ZINC001245917780 987152890 /nfs/dbraw/zinc/15/28/90/987152890.db2.gz MYIBWAKVEWXCFB-UHFFFAOYSA-N 1 2 207.277 1.391 20 0 BDADLO CCc1[nH]c(CNC(=O)C2=COCCC2)c[nH+]1 ZINC001472018603 987159313 /nfs/dbraw/zinc/15/93/13/987159313.db2.gz IGIKNVWARLFQMM-UHFFFAOYSA-N 1 2 235.287 1.283 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2=COCCC2)[nH+]1 ZINC001472018603 987159326 /nfs/dbraw/zinc/15/93/26/987159326.db2.gz IGIKNVWARLFQMM-UHFFFAOYSA-N 1 2 235.287 1.283 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2cccc(Cl)c2)[nH]1 ZINC001245925424 987173732 /nfs/dbraw/zinc/17/37/32/987173732.db2.gz XGCFIKVSXMZVIH-UHFFFAOYSA-N 1 2 237.690 1.749 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1CC1CCCCC1 ZINC001245926485 987180315 /nfs/dbraw/zinc/18/03/15/987180315.db2.gz BPAYIBXMGNNKSF-UHFFFAOYSA-N 1 2 235.331 1.856 20 0 BDADLO C[C@H](Cc1ccccn1)[N@@H+]1Cc2cncnc2C1 ZINC001256410382 987220034 /nfs/dbraw/zinc/22/00/34/987220034.db2.gz KEZVLNFNNCXDCH-LLVKDONJSA-N 1 2 240.310 1.818 20 0 BDADLO C[C@H](Cc1ccccn1)[N@H+]1Cc2cncnc2C1 ZINC001256410382 987220050 /nfs/dbraw/zinc/22/00/50/987220050.db2.gz KEZVLNFNNCXDCH-LLVKDONJSA-N 1 2 240.310 1.818 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1Cn1c[nH+]c(CC)c1 ZINC001473086951 987329587 /nfs/dbraw/zinc/32/95/87/987329587.db2.gz FEUATYVQZFTGFE-GXSJLCMTSA-N 1 2 222.288 1.645 20 0 BDADLO Cc1cnccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116007729 987427432 /nfs/dbraw/zinc/42/74/32/987427432.db2.gz URENEPXLSGJITF-JTQLQIEISA-N 1 2 230.271 1.208 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC=C(F)C1 ZINC001546197085 987441129 /nfs/dbraw/zinc/44/11/29/987441129.db2.gz AEJDZYQZVQBIHD-UHFFFAOYSA-N 1 2 223.251 1.359 20 0 BDADLO C[C@H](O)[C@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585446 987494857 /nfs/dbraw/zinc/49/48/57/987494857.db2.gz YDXJGYUNWHPMLP-YUMQZZPRSA-N 1 2 241.722 1.257 20 0 BDADLO C[C@H](O)[C@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585446 987494865 /nfs/dbraw/zinc/49/48/65/987494865.db2.gz YDXJGYUNWHPMLP-YUMQZZPRSA-N 1 2 241.722 1.257 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)OC(C)C)C1 ZINC001116262210 987500992 /nfs/dbraw/zinc/50/09/92/987500992.db2.gz QNYLBZDMQZEODW-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)OC(C)C)C1 ZINC001116262210 987501004 /nfs/dbraw/zinc/50/10/04/987501004.db2.gz QNYLBZDMQZEODW-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001116355027 987529325 /nfs/dbraw/zinc/52/93/25/987529325.db2.gz FYPIWFVLYGZUFS-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO C[N@@H+](Cc1ccnc(F)c1)Cc1cccc(=O)[nH]1 ZINC001473825354 987576492 /nfs/dbraw/zinc/57/64/92/987576492.db2.gz OBUJJWRUDGZEMU-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@H+](Cc1ccnc(F)c1)Cc1cccc(=O)[nH]1 ZINC001473825354 987576500 /nfs/dbraw/zinc/57/65/00/987576500.db2.gz OBUJJWRUDGZEMU-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CN1 ZINC001246217927 987618338 /nfs/dbraw/zinc/61/83/38/987618338.db2.gz NLQOQHHKYHBQKL-NAKRPEOUSA-N 1 2 200.301 1.465 20 0 BDADLO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CN1 ZINC001246219939 987616831 /nfs/dbraw/zinc/61/68/31/987616831.db2.gz AXNKQBXHMSTVSR-RVMXOQNASA-N 1 2 226.364 1.268 20 0 BDADLO O=c1[nH]c2cccc(C[NH2+]Cc3cc[nH]n3)c2o1 ZINC001473923126 987620623 /nfs/dbraw/zinc/62/06/23/987620623.db2.gz XRWNBNSGPVPHSF-UHFFFAOYSA-N 1 2 244.254 1.546 20 0 BDADLO OCc1cc[nH+]c(NCc2ccncc2)c1 ZINC001474188495 987660210 /nfs/dbraw/zinc/66/02/10/987660210.db2.gz PHYZOEORKMVPDL-UHFFFAOYSA-N 1 2 215.256 1.581 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC001474216973 987662367 /nfs/dbraw/zinc/66/23/67/987662367.db2.gz HRHSIGGPNNFDHW-ZJUUUORDSA-N 1 2 229.711 1.341 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C(=O)OC(C)(C)C ZINC001474397248 987711146 /nfs/dbraw/zinc/71/11/46/987711146.db2.gz USBSFIRUYJNCOI-ZRUFSTJUSA-N 1 2 241.331 1.341 20 0 BDADLO COCc1cc(C[N@H+](C)CC2(CO)CC2)no1 ZINC001474455991 987726535 /nfs/dbraw/zinc/72/65/35/987726535.db2.gz AKQZDEDNYYXSPH-UHFFFAOYSA-N 1 2 240.303 1.025 20 0 BDADLO COCc1cc(C[N@@H+](C)CC2(CO)CC2)no1 ZINC001474455991 987726538 /nfs/dbraw/zinc/72/65/38/987726538.db2.gz AKQZDEDNYYXSPH-UHFFFAOYSA-N 1 2 240.303 1.025 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1cncn1C)c1nncn1C ZINC001117137012 987785883 /nfs/dbraw/zinc/78/58/83/987785883.db2.gz QGPQILNKDNFNPI-NSHDSACASA-N 1 2 248.334 1.036 20 0 BDADLO COC(=O)C1CN(Cc2c[nH+]cn2C(C)C)C1 ZINC001474747721 987815529 /nfs/dbraw/zinc/81/55/29/987815529.db2.gz IFDRIDGONVKLFG-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO CC(C)(C)[C@@H](CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC001589704937 987816032 /nfs/dbraw/zinc/81/60/32/987816032.db2.gz GMPXPNYYBXRJPY-SNVBAGLBSA-N 1 2 239.319 1.362 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1cc(C)nn1C ZINC001321708615 987972081 /nfs/dbraw/zinc/97/20/81/987972081.db2.gz DHRWTCGZTBYJAI-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nnc(C)n2C)n(C)n1 ZINC001321932011 988055773 /nfs/dbraw/zinc/05/57/73/988055773.db2.gz AMBVPVKLCQMVPE-VIFPVBQESA-N 1 2 248.334 1.016 20 0 BDADLO CC(C)[C@@H](F)C(=O)NC1C[NH+](CC[C@H](C)F)C1 ZINC001494432272 988145648 /nfs/dbraw/zinc/14/56/48/988145648.db2.gz RAMMIWOMUMJNSR-GXSJLCMTSA-N 1 2 248.317 1.529 20 0 BDADLO CSCCCc1nnc(C[NH+](C)C)o1 ZINC001322399905 988241751 /nfs/dbraw/zinc/24/17/51/988241751.db2.gz JZBDCHVGHFXNJI-UHFFFAOYSA-N 1 2 215.322 1.427 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)[nH]n2)CCCO1 ZINC001322573737 988331983 /nfs/dbraw/zinc/33/19/83/988331983.db2.gz AIWWYUQVKHGKCT-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)[nH]n2)CCCO1 ZINC001322573737 988332000 /nfs/dbraw/zinc/33/20/00/988332000.db2.gz AIWWYUQVKHGKCT-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2ccncc2)o1 ZINC001322581697 988333693 /nfs/dbraw/zinc/33/36/93/988333693.db2.gz CKNBWRXFSDWBLV-UHFFFAOYSA-N 1 2 232.287 1.311 20 0 BDADLO C[C@H](C(=O)N[C@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC001322790822 988380886 /nfs/dbraw/zinc/38/08/86/988380886.db2.gz YUWHNEDZUIXKBP-BBBLOLIVSA-N 1 2 207.277 1.359 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC001322790824 988382729 /nfs/dbraw/zinc/38/27/29/988382729.db2.gz YUWHNEDZUIXKBP-OPRDCNLKSA-N 1 2 207.277 1.359 20 0 BDADLO C[C@@H](C(=O)N(C)CCC1CC1)n1cc[nH+]c1 ZINC001322825575 988384778 /nfs/dbraw/zinc/38/47/78/988384778.db2.gz KPYKNILLNZCCQD-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO CCc1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)on1 ZINC001323135434 988456731 /nfs/dbraw/zinc/45/67/31/988456731.db2.gz IYKZSMSPABAVHV-SECBINFHSA-N 1 2 248.286 1.311 20 0 BDADLO Cc1cc(C[N@H+](CCO)CC(C)(C)C)n[nH]1 ZINC001323309001 988494778 /nfs/dbraw/zinc/49/47/78/988494778.db2.gz BAABEUZETTUQRR-UHFFFAOYSA-N 1 2 225.336 1.559 20 0 BDADLO Cc1cc(C[N@@H+](CCO)CC(C)(C)C)n[nH]1 ZINC001323309001 988494787 /nfs/dbraw/zinc/49/47/87/988494787.db2.gz BAABEUZETTUQRR-UHFFFAOYSA-N 1 2 225.336 1.559 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)[nH]n1 ZINC001323324941 988496515 /nfs/dbraw/zinc/49/65/15/988496515.db2.gz XXDZMFXQHIECFJ-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)[nH]n1 ZINC001323324941 988496525 /nfs/dbraw/zinc/49/65/25/988496525.db2.gz XXDZMFXQHIECFJ-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO O=C(CC1CC1)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001498911816 988506825 /nfs/dbraw/zinc/50/68/25/988506825.db2.gz FHGMAXHMBSBXPQ-MOWVOVBGSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(CC1CC1)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001498911816 988506838 /nfs/dbraw/zinc/50/68/38/988506838.db2.gz FHGMAXHMBSBXPQ-MOWVOVBGSA-N 1 2 242.750 1.730 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CC2(C)C)CC(C)(C)O1 ZINC001323541329 988553368 /nfs/dbraw/zinc/55/33/68/988553368.db2.gz NWFOKKBMZNFBSP-SNVBAGLBSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CC2(C)C)CC(C)(C)O1 ZINC001323541329 988553379 /nfs/dbraw/zinc/55/33/79/988553379.db2.gz NWFOKKBMZNFBSP-SNVBAGLBSA-N 1 2 240.347 1.454 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccnc(F)c2)[nH]1 ZINC001118801861 988611959 /nfs/dbraw/zinc/61/19/59/988611959.db2.gz WNKQCLSWCFYHAH-QMMMGPOBSA-N 1 2 249.293 1.752 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2ncnn2C)[nH+]c1C ZINC001118852530 988656425 /nfs/dbraw/zinc/65/64/25/988656425.db2.gz MUSMUTOSPBJFKE-SECBINFHSA-N 1 2 234.307 1.006 20 0 BDADLO COC[C@@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001118941643 988722419 /nfs/dbraw/zinc/72/24/19/988722419.db2.gz IRPYTDWWTWYKDH-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001324316426 988793219 /nfs/dbraw/zinc/79/32/19/988793219.db2.gz CKHJNAXYJKQFLY-ISUDXETCSA-N 1 2 245.326 1.528 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccnn1C ZINC001119055327 988821040 /nfs/dbraw/zinc/82/10/40/988821040.db2.gz SASZWYSVYFIURM-UWVGGRQHSA-N 1 2 247.302 1.055 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(Cl)nn2)ncn1 ZINC001119241678 988849879 /nfs/dbraw/zinc/84/98/79/988849879.db2.gz KYVJXIWKFXLPCC-UHFFFAOYSA-N 1 2 249.705 1.518 20 0 BDADLO Cc1cc(-c2noc(Cc3c[nH]c[nH+]3)n2)ccn1 ZINC001247137403 988852198 /nfs/dbraw/zinc/85/21/98/988852198.db2.gz HESLZFORYXXQSC-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccc[nH]1 ZINC001324521416 988864671 /nfs/dbraw/zinc/86/46/71/988864671.db2.gz VVUUADHYAPVCEJ-ZJUUUORDSA-N 1 2 232.287 1.650 20 0 BDADLO CCON(CC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001119276827 988879675 /nfs/dbraw/zinc/87/96/75/988879675.db2.gz VMZOBLQDPIPKAC-VIFPVBQESA-N 1 2 211.265 1.244 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C)c1O ZINC001546336453 988882554 /nfs/dbraw/zinc/88/25/54/988882554.db2.gz GOTBZDUTMBGPBR-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO O=C([O-])CC1(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001601915239 988889827 /nfs/dbraw/zinc/88/98/27/988889827.db2.gz IABZJJXXMNKYQB-WDEREUQCSA-N 1 2 238.331 1.068 20 0 BDADLO O=C([O-])CC1(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001601915239 988889830 /nfs/dbraw/zinc/88/98/30/988889830.db2.gz IABZJJXXMNKYQB-WDEREUQCSA-N 1 2 238.331 1.068 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)n[nH]1 ZINC001119304546 988919885 /nfs/dbraw/zinc/91/98/85/988919885.db2.gz VJLZBBPRVQFKAI-LLVKDONJSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](O)CC(C)(C)C2)n[nH]1 ZINC001119304546 988919911 /nfs/dbraw/zinc/91/99/11/988919911.db2.gz VJLZBBPRVQFKAI-LLVKDONJSA-N 1 2 223.320 1.311 20 0 BDADLO CCc1ccc(N2C[C@H](C(N)=O)CC[C@@H]2C)[nH+]c1 ZINC001515361503 989038209 /nfs/dbraw/zinc/03/82/09/989038209.db2.gz GXRNUSRKNREPCT-CMPLNLGQSA-N 1 2 247.342 1.734 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cnccc2C)no1 ZINC001247961175 989049392 /nfs/dbraw/zinc/04/93/92/989049392.db2.gz NQTXITQKTXDWBM-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO COCC[C@@H](Nc1cc(N)nc[nH+]1)c1ccco1 ZINC001515625698 989079271 /nfs/dbraw/zinc/07/92/71/989079271.db2.gz UYZVASNYDMRHIN-SECBINFHSA-N 1 2 248.286 1.842 20 0 BDADLO CCc1cccc(-c2noc([C@H]([NH3+])COC)n2)c1 ZINC001248186278 989083277 /nfs/dbraw/zinc/08/32/77/989083277.db2.gz JLOMQRAYAVBSNQ-LLVKDONJSA-N 1 2 247.298 1.945 20 0 BDADLO CC[C@]1(O)CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001515658383 989095964 /nfs/dbraw/zinc/09/59/64/989095964.db2.gz GROOERXHIGENEK-LBPRGKRZSA-N 1 2 224.279 1.880 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)[nH+]1 ZINC001515889963 989129086 /nfs/dbraw/zinc/12/90/86/989129086.db2.gz AIYFSXMFVLGUFP-WOFXILAISA-N 1 2 238.306 1.982 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3n2CCC3)C1 ZINC001248820803 989179787 /nfs/dbraw/zinc/17/97/87/989179787.db2.gz CXVDHVJEFSWTGY-UHFFFAOYSA-N 1 2 220.316 1.655 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001248856891 989197159 /nfs/dbraw/zinc/19/71/59/989197159.db2.gz ATYJMJXDDXTHSF-JQWIXIFHSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001248856891 989197170 /nfs/dbraw/zinc/19/71/70/989197170.db2.gz ATYJMJXDDXTHSF-JQWIXIFHSA-N 1 2 237.303 1.379 20 0 BDADLO C[C@@H](SCc1cc[nH+]c(N(C)C)c1)C(N)=O ZINC001325582731 989208682 /nfs/dbraw/zinc/20/86/82/989208682.db2.gz OHCWHHYWNFOWCV-MRVPVSSYSA-N 1 2 239.344 1.255 20 0 BDADLO Cc1cc(C[NH+]2CC(CO)C2)c(Cl)nc1C ZINC001249019837 989241441 /nfs/dbraw/zinc/24/14/41/989241441.db2.gz QPCLSEWDPBRILQ-UHFFFAOYSA-N 1 2 240.734 1.776 20 0 BDADLO CSCC[N@H+](C)Cc1nc(C)cc(C)n1 ZINC001248982720 989241829 /nfs/dbraw/zinc/24/18/29/989241829.db2.gz MGIHHJDGNFEDTF-UHFFFAOYSA-N 1 2 225.361 1.888 20 0 BDADLO CSCC[N@@H+](C)Cc1nc(C)cc(C)n1 ZINC001248982720 989241838 /nfs/dbraw/zinc/24/18/38/989241838.db2.gz MGIHHJDGNFEDTF-UHFFFAOYSA-N 1 2 225.361 1.888 20 0 BDADLO C[C@H](C(=O)Nc1ccc(O)cc1F)n1cc[nH+]c1 ZINC001325750142 989254751 /nfs/dbraw/zinc/25/47/51/989254751.db2.gz WPZHZZWSPKPRPR-MRVPVSSYSA-N 1 2 249.245 1.928 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001119743602 989379954 /nfs/dbraw/zinc/37/99/54/989379954.db2.gz MLCMUQADBRAENP-INJWIWPUSA-N 1 2 211.305 1.490 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001119743602 989379959 /nfs/dbraw/zinc/37/99/59/989379959.db2.gz MLCMUQADBRAENP-INJWIWPUSA-N 1 2 211.305 1.490 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(C)cc(C)n1 ZINC001119767452 989392499 /nfs/dbraw/zinc/39/24/99/989392499.db2.gz WYZBSOQFODPZJE-UHFFFAOYSA-N 1 2 221.304 1.006 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(C)cc(C)n1 ZINC001119767452 989392502 /nfs/dbraw/zinc/39/25/02/989392502.db2.gz WYZBSOQFODPZJE-UHFFFAOYSA-N 1 2 221.304 1.006 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2nncs2)C1 ZINC001119825385 989424565 /nfs/dbraw/zinc/42/45/65/989424565.db2.gz QDUVHLHRQJONSU-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2nncs2)C1 ZINC001119825385 989424570 /nfs/dbraw/zinc/42/45/70/989424570.db2.gz QDUVHLHRQJONSU-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO CCN(CC(F)F)C(=O)CCc1[nH+]ccn1C ZINC001519877235 989473758 /nfs/dbraw/zinc/47/37/58/989473758.db2.gz BQWKVLQGQCWMNC-UHFFFAOYSA-N 1 2 245.273 1.466 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001326325680 989494427 /nfs/dbraw/zinc/49/44/27/989494427.db2.gz MHKYMPHRJIKYDY-CYBMUJFWSA-N 1 2 248.326 1.823 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001326325680 989494440 /nfs/dbraw/zinc/49/44/40/989494440.db2.gz MHKYMPHRJIKYDY-CYBMUJFWSA-N 1 2 248.326 1.823 20 0 BDADLO CNc1cc(N2CC[C@@H]3OCCC[C@@H]3C2)nc[nH+]1 ZINC001119947740 989500792 /nfs/dbraw/zinc/50/07/92/989500792.db2.gz WTTOZBNVCCJLRH-MNOVXSKESA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CC[C@@H]3OCCC[C@@H]3C2)[nH+]cn1 ZINC001119947740 989500806 /nfs/dbraw/zinc/50/08/06/989500806.db2.gz WTTOZBNVCCJLRH-MNOVXSKESA-N 1 2 248.330 1.524 20 0 BDADLO COc1nc(Cl)c(C[N@@H+]2C[C@H](C)[C@@H]2C)n1C ZINC001326344404 989508333 /nfs/dbraw/zinc/50/83/33/989508333.db2.gz RPFVKTDDLURFBQ-YUMQZZPRSA-N 1 2 243.738 1.922 20 0 BDADLO COc1nc(Cl)c(C[N@H+]2C[C@H](C)[C@@H]2C)n1C ZINC001326344404 989508344 /nfs/dbraw/zinc/50/83/44/989508344.db2.gz RPFVKTDDLURFBQ-YUMQZZPRSA-N 1 2 243.738 1.922 20 0 BDADLO CCc1cnc(NC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001119985309 989542614 /nfs/dbraw/zinc/54/26/14/989542614.db2.gz YSXDNXKEQPRXCZ-MRVPVSSYSA-N 1 2 234.259 1.633 20 0 BDADLO CCn1c[nH+]cc1COC(=O)COC1CC1 ZINC001520439984 989563490 /nfs/dbraw/zinc/56/34/90/989563490.db2.gz CJYDGPRGTURPJS-UHFFFAOYSA-N 1 2 224.260 1.125 20 0 BDADLO C[C@@H](C(=O)NCC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001326467983 989570198 /nfs/dbraw/zinc/57/01/98/989570198.db2.gz RZJOHCPJDLKKJF-QMMMGPOBSA-N 1 2 243.257 1.606 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCCc1[nH+]ccn1C ZINC001520626988 989582959 /nfs/dbraw/zinc/58/29/59/989582959.db2.gz VKBQBFLTSDYSDW-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001520646631 989586765 /nfs/dbraw/zinc/58/67/65/989586765.db2.gz GTVXCQSGDFQNRJ-MNOVXSKESA-N 1 2 235.331 1.658 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(CC2CC2)n1 ZINC001120371075 989641725 /nfs/dbraw/zinc/64/17/25/989641725.db2.gz OUVNQUBXEKPAGX-UHFFFAOYSA-N 1 2 230.271 1.975 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ncon2)cc1 ZINC001120509046 989687508 /nfs/dbraw/zinc/68/75/08/989687508.db2.gz ULFXMIOAPARMKX-CMPLNLGQSA-N 1 2 247.298 1.762 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)Cc1ccccc1 ZINC001120583824 989755097 /nfs/dbraw/zinc/75/50/97/989755097.db2.gz YSNQPGHNCHHFCP-SNVBAGLBSA-N 1 2 215.243 1.445 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccns1 ZINC001120587437 989758938 /nfs/dbraw/zinc/75/89/38/989758938.db2.gz WKWZYVBRTLCNDA-QMMMGPOBSA-N 1 2 236.300 1.158 20 0 BDADLO CCC/C=C\C(=O)NCCc1[nH+]ccn1C ZINC001521994811 989821119 /nfs/dbraw/zinc/82/11/19/989821119.db2.gz ZORYVCPVWJZHDA-WAYWQWQTSA-N 1 2 221.304 1.435 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccns1 ZINC001120663879 989822117 /nfs/dbraw/zinc/82/21/17/989822117.db2.gz OWXCDWDXUDUXQE-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO CCCCC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001522327362 989845179 /nfs/dbraw/zinc/84/51/79/989845179.db2.gz MVEYUWQQFPAJIE-UHFFFAOYSA-N 1 2 239.319 1.543 20 0 BDADLO CC(C)(C)[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001120849468 989921089 /nfs/dbraw/zinc/92/10/89/989921089.db2.gz IDICZIYAVORHJY-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO C[S@](=O)[C@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC001120970573 989992700 /nfs/dbraw/zinc/99/27/00/989992700.db2.gz VQCDOVSFYWDKKX-BEPCFFQHSA-N 1 2 242.319 1.354 20 0 BDADLO C[S@](=O)[C@H]1CC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC001120970575 989994180 /nfs/dbraw/zinc/99/41/80/989994180.db2.gz VQCDOVSFYWDKKX-GLSBUQGYSA-N 1 2 242.319 1.354 20 0 BDADLO C[C@H](C(=O)OCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC001524832392 990017893 /nfs/dbraw/zinc/01/78/93/990017893.db2.gz WEBBCCPJMJALQF-GXSJLCMTSA-N 1 2 238.287 1.278 20 0 BDADLO CCOCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001121232394 990053940 /nfs/dbraw/zinc/05/39/40/990053940.db2.gz YMGSRYFIFOHHIW-UHFFFAOYSA-N 1 2 222.288 1.485 20 0 BDADLO Cc1conc1NC(=O)c1cccc2[nH+]ccn21 ZINC001525643169 990061597 /nfs/dbraw/zinc/06/15/97/990061597.db2.gz AOIHLODCGSPAQP-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO COc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)nc1 ZINC001122038059 990203619 /nfs/dbraw/zinc/20/36/19/990203619.db2.gz URSCCAVEKPIIBK-ZETCQYMHSA-N 1 2 245.229 1.011 20 0 BDADLO CNc1cc(CNC(=O)NCC2(C)CC2)cc[nH+]1 ZINC001527499171 990227918 /nfs/dbraw/zinc/22/79/18/990227918.db2.gz DZWHIRTZYUVSDM-UHFFFAOYSA-N 1 2 248.330 1.723 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@H]1C=CCCC1)C(F)F ZINC001122119172 990247252 /nfs/dbraw/zinc/24/72/52/990247252.db2.gz QUBBOLGQKZDDAK-JGVFFNPUSA-N 1 2 218.247 1.194 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001122404420 990375112 /nfs/dbraw/zinc/37/51/12/990375112.db2.gz XFEYBDKYTXWQPJ-IWSPIJDZSA-N 1 2 232.274 1.440 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)C2CC2)o1 ZINC001122437666 990387825 /nfs/dbraw/zinc/38/78/25/990387825.db2.gz PEUDKHBYHHJYOB-SECBINFHSA-N 1 2 237.303 1.160 20 0 BDADLO Cc1ccnc(C(=O)Nc2c(C)c[nH+]cc2C)n1 ZINC001534713659 990455364 /nfs/dbraw/zinc/45/53/64/990455364.db2.gz YMKZDHUGUWZDNT-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1occc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001535316789 990468158 /nfs/dbraw/zinc/46/81/58/990468158.db2.gz CWBPXNOJJOAITL-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001537692800 990509322 /nfs/dbraw/zinc/50/93/22/990509322.db2.gz ARELFIVRKRXFRJ-MNOVXSKESA-N 1 2 245.326 1.536 20 0 BDADLO Cn1cncc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123154777 990519815 /nfs/dbraw/zinc/51/98/15/990519815.db2.gz RDIYNYXSRKFZDM-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1CC(OC)C1 ZINC001123375625 990569012 /nfs/dbraw/zinc/56/90/12/990569012.db2.gz LVKTZAGQQHJNPI-UHFFFAOYSA-N 1 2 238.287 1.371 20 0 BDADLO CCn1c[nH+]cc1COC(=O)COCC1CC1 ZINC001123379151 990569404 /nfs/dbraw/zinc/56/94/04/990569404.db2.gz RJDOUCKSSWKTPK-UHFFFAOYSA-N 1 2 238.287 1.373 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCc1cc[nH+]c(NC)c1 ZINC001123553781 990607902 /nfs/dbraw/zinc/60/79/02/990607902.db2.gz KIXMRBDCJUUBFG-GHMZBOCLSA-N 1 2 248.330 1.721 20 0 BDADLO CNc1cc(CNC(=O)NCCC2CC2)cc[nH+]1 ZINC001123606985 990624806 /nfs/dbraw/zinc/62/48/06/990624806.db2.gz FDZULCDAKATTGF-UHFFFAOYSA-N 1 2 248.330 1.723 20 0 BDADLO CCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001540619702 990631280 /nfs/dbraw/zinc/63/12/80/990631280.db2.gz MDPNYELOQMXEFD-UHFFFAOYSA-N 1 2 245.282 1.670 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1cccnc1 ZINC001540638826 990635317 /nfs/dbraw/zinc/63/53/17/990635317.db2.gz ONTVXRGMPVFDNP-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CNc1cc(CNC(=O)N[C@@H](C)CF)cc[nH+]1 ZINC001123793374 990671713 /nfs/dbraw/zinc/67/17/13/990671713.db2.gz BTSPOOFYPICCSH-QMMMGPOBSA-N 1 2 240.282 1.281 20 0 BDADLO CCn1cccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001123833469 990680710 /nfs/dbraw/zinc/68/07/10/990680710.db2.gz HJLRITIIRWWWML-JTQLQIEISA-N 1 2 244.298 1.579 20 0 BDADLO COCc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001543181342 990684990 /nfs/dbraw/zinc/68/49/90/990684990.db2.gz UVVMZMVZLXLWBT-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(F)c(O)c1 ZINC001543790585 990704100 /nfs/dbraw/zinc/70/41/00/990704100.db2.gz ZMBCDYZJUDBTPC-UHFFFAOYSA-N 1 2 249.245 1.227 20 0 BDADLO CCN(Cc1scnc1Cl)C1C[NH+](C)C1 ZINC001137824715 990853546 /nfs/dbraw/zinc/85/35/46/990853546.db2.gz CSCVIMQSJVUGPB-UHFFFAOYSA-N 1 2 245.779 1.932 20 0 BDADLO C=C/C=C\CC(=O)NCCc1cn(C)c[nH+]1 ZINC001556945449 990865269 /nfs/dbraw/zinc/86/52/69/990865269.db2.gz FHQYAINNMWQCKO-PLNGDYQASA-N 1 2 219.288 1.211 20 0 BDADLO CCOC1C[NH+](Cc2cccc(OC(C)=O)c2)C1 ZINC001138037391 990876839 /nfs/dbraw/zinc/87/68/39/990876839.db2.gz VKCVEJJBKZZDBA-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO Cc1[nH]nc(NC(=O)Cc2[nH]cc[nH+]2)c1Cl ZINC001557279254 990884065 /nfs/dbraw/zinc/88/40/65/990884065.db2.gz OWQDLBKZXSHFBC-UHFFFAOYSA-N 1 2 239.666 1.276 20 0 BDADLO Oc1cc(O)cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001138332779 990919778 /nfs/dbraw/zinc/91/97/78/990919778.db2.gz IJBRHIRLIZEBJQ-CQSZACIVSA-N 1 2 249.310 1.709 20 0 BDADLO Oc1cc(O)cc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001138332779 990919783 /nfs/dbraw/zinc/91/97/83/990919783.db2.gz IJBRHIRLIZEBJQ-CQSZACIVSA-N 1 2 249.310 1.709 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)cc(O)c1 ZINC001138333772 990921684 /nfs/dbraw/zinc/92/16/84/990921684.db2.gz PZUDHUGGNQPPER-ZDUSSCGKSA-N 1 2 235.283 1.651 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)cc(O)c1 ZINC001138333772 990921687 /nfs/dbraw/zinc/92/16/87/990921687.db2.gz PZUDHUGGNQPPER-ZDUSSCGKSA-N 1 2 235.283 1.651 20 0 BDADLO Cn1cc2c(n1)CC[N@@H+](Cc1ncccc1O)C2 ZINC001138394226 990926711 /nfs/dbraw/zinc/92/67/11/990926711.db2.gz KMWCKGJAYAQHRA-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cc2c(n1)CC[N@H+](Cc1ncccc1O)C2 ZINC001138394226 990926725 /nfs/dbraw/zinc/92/67/25/990926725.db2.gz KMWCKGJAYAQHRA-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Oc1cccnc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138395783 990933523 /nfs/dbraw/zinc/93/35/23/990933523.db2.gz CUHKPZWIXOFPIG-NXEZZACHSA-N 1 2 220.272 1.150 20 0 BDADLO Oc1cccnc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138395783 990933529 /nfs/dbraw/zinc/93/35/29/990933529.db2.gz CUHKPZWIXOFPIG-NXEZZACHSA-N 1 2 220.272 1.150 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC001308275221 990954581 /nfs/dbraw/zinc/95/45/81/990954581.db2.gz DERSXYCHJGJSIX-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO CC(=O)CCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001558537969 990961854 /nfs/dbraw/zinc/96/18/54/990961854.db2.gz UPDLQYMJDWMAOE-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cnc(N(C)C)nc2)o1 ZINC001308433185 990991367 /nfs/dbraw/zinc/99/13/67/990991367.db2.gz HGNBJEYUKNGIHE-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C1(CO)CCSCC1 ZINC001308433186 990992565 /nfs/dbraw/zinc/99/25/65/990992565.db2.gz HJLIWNSZPNJYEB-UHFFFAOYSA-N 1 2 241.360 1.066 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)cc(C)n1 ZINC001308474148 991004733 /nfs/dbraw/zinc/00/47/33/991004733.db2.gz BZRNQMMOJBVKSX-UHFFFAOYSA-N 1 2 217.276 1.106 20 0 BDADLO CNc1ncccc1CN1CCn2c[nH+]cc2C1 ZINC001138693168 991005742 /nfs/dbraw/zinc/00/57/42/991005742.db2.gz MLCCRCMHXBPYRJ-UHFFFAOYSA-N 1 2 243.314 1.336 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2nnc(CO)[nH]2)C[C@@H](C)C1 ZINC001308558424 991038599 /nfs/dbraw/zinc/03/85/99/991038599.db2.gz OXUAAKAHXZKVGN-MYJAWHEDSA-N 1 2 238.335 1.211 20 0 BDADLO c1nnc(C[NH2+]Cc2ccc3c(c2)CCC3)[nH]1 ZINC001308559226 991040756 /nfs/dbraw/zinc/04/07/56/991040756.db2.gz VXTDVVMQVPHFMI-UHFFFAOYSA-N 1 2 228.299 1.583 20 0 BDADLO O=C1CC[C@H](C[NH+]2CC(Oc3ccccc3)C2)N1 ZINC001202865267 991048986 /nfs/dbraw/zinc/04/89/86/991048986.db2.gz WQYFRSMHRIBGCH-LLVKDONJSA-N 1 2 246.310 1.028 20 0 BDADLO Cn1cnc2c1CC[N@H+](Cc1cccnc1F)C2 ZINC001138793309 991058885 /nfs/dbraw/zinc/05/88/85/991058885.db2.gz HHBBZUGXMHMRSD-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cn1cnc2c1CC[N@@H+](Cc1cccnc1F)C2 ZINC001138793309 991058891 /nfs/dbraw/zinc/05/88/91/991058891.db2.gz HHBBZUGXMHMRSD-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO c1cc2cccc(C[N@@H+]3CCCC34COC4)n2n1 ZINC001138807052 991063803 /nfs/dbraw/zinc/06/38/03/991063803.db2.gz YTNVTHTYVQQEBW-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cc2cccc(C[N@H+]3CCCC34COC4)n2n1 ZINC001138807052 991063808 /nfs/dbraw/zinc/06/38/08/991063808.db2.gz YTNVTHTYVQQEBW-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[NH+]1CC(C)C1 ZINC001138851749 991085857 /nfs/dbraw/zinc/08/58/57/991085857.db2.gz XADQGMUWQPZEMZ-UHFFFAOYSA-N 1 2 223.276 1.038 20 0 BDADLO C[N@H+](Cc1cnc2ccccc2n1)C1(C)COC1 ZINC001138865270 991090744 /nfs/dbraw/zinc/09/07/44/991090744.db2.gz AVDIXTQTWFPGFV-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO C[N@@H+](Cc1cnc2ccccc2n1)C1(C)COC1 ZINC001138865270 991090753 /nfs/dbraw/zinc/09/07/53/991090753.db2.gz AVDIXTQTWFPGFV-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO COC(=O)CC[N@H+](Cc1nc(C)c[nH]1)C1CC1 ZINC001138938294 991102993 /nfs/dbraw/zinc/10/29/93/991102993.db2.gz GIFWOQFFPDKEDZ-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)CC[N@@H+](Cc1nc(C)c[nH]1)C1CC1 ZINC001138938294 991102996 /nfs/dbraw/zinc/10/29/96/991102996.db2.gz GIFWOQFFPDKEDZ-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)C1([NH2+][C@H](C)CCSC)CCC1 ZINC001258197882 991111794 /nfs/dbraw/zinc/11/17/94/991111794.db2.gz AMYRUDQHPBCYEK-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO CCc1cn(Cc2cccc(C(=O)NC)c2)c[nH+]1 ZINC001559466329 991114494 /nfs/dbraw/zinc/11/44/94/991114494.db2.gz QRMSZHOVPLICLE-UHFFFAOYSA-N 1 2 243.310 1.853 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccco2)CCO1 ZINC001258198508 991114693 /nfs/dbraw/zinc/11/46/93/991114693.db2.gz ZVVACCRAIOCPBG-GWCFXTLKSA-N 1 2 237.299 1.500 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccco2)CCO1 ZINC001258198508 991114696 /nfs/dbraw/zinc/11/46/96/991114696.db2.gz ZVVACCRAIOCPBG-GWCFXTLKSA-N 1 2 237.299 1.500 20 0 BDADLO CSCC[C@@H](C)N1CC[NH+](CCCO)CC1 ZINC001258215061 991136192 /nfs/dbraw/zinc/13/61/92/991136192.db2.gz LVZDSKARKAZMFV-GFCCVEGCSA-N 1 2 246.420 1.128 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+]C1CCCCCCC1 ZINC001258232694 991167270 /nfs/dbraw/zinc/16/72/70/991167270.db2.gz AVFGUMRSRXRZQE-LBPRGKRZSA-N 1 2 243.347 1.613 20 0 BDADLO c1[nH+]cc(NC2COCCOC2)c2c1CCCC2 ZINC001308860501 991183536 /nfs/dbraw/zinc/18/35/36/991183536.db2.gz VHGXHFNESJBFSM-UHFFFAOYSA-N 1 2 248.326 1.788 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cnc(N)s2)C[C@H]1F ZINC001139226213 991193745 /nfs/dbraw/zinc/19/37/45/991193745.db2.gz WAZNCHKSMGJYOG-SCZZXKLOSA-N 1 2 247.314 1.997 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cnc(N)s2)C[C@H]1F ZINC001139226213 991193762 /nfs/dbraw/zinc/19/37/62/991193762.db2.gz WAZNCHKSMGJYOG-SCZZXKLOSA-N 1 2 247.314 1.997 20 0 BDADLO Nc1ncc(C[N@@H+]2CCCC23COC3)s1 ZINC001139227152 991200049 /nfs/dbraw/zinc/20/00/49/991200049.db2.gz FVQLYDCNVCAWED-UHFFFAOYSA-N 1 2 225.317 1.090 20 0 BDADLO Nc1ncc(C[N@H+]2CCCC23COC3)s1 ZINC001139227152 991200063 /nfs/dbraw/zinc/20/00/63/991200063.db2.gz FVQLYDCNVCAWED-UHFFFAOYSA-N 1 2 225.317 1.090 20 0 BDADLO Nc1ncnc(Cl)c1C[N@@H+]1CCCC12CC2 ZINC001139436108 991236371 /nfs/dbraw/zinc/23/63/71/991236371.db2.gz VFUQRNWEENZGDT-UHFFFAOYSA-N 1 2 238.722 1.841 20 0 BDADLO Nc1ncnc(Cl)c1C[N@H+]1CCCC12CC2 ZINC001139436108 991236380 /nfs/dbraw/zinc/23/63/80/991236380.db2.gz VFUQRNWEENZGDT-UHFFFAOYSA-N 1 2 238.722 1.841 20 0 BDADLO CC[N@H+](Cc1c(N)ncnc1Cl)C1CC1 ZINC001139435776 991238949 /nfs/dbraw/zinc/23/89/49/991238949.db2.gz OXIXZRZDKCCBDI-UHFFFAOYSA-N 1 2 226.711 1.697 20 0 BDADLO CC[N@@H+](Cc1c(N)ncnc1Cl)C1CC1 ZINC001139435776 991238958 /nfs/dbraw/zinc/23/89/58/991238958.db2.gz OXIXZRZDKCCBDI-UHFFFAOYSA-N 1 2 226.711 1.697 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cn1 ZINC001139456529 991242036 /nfs/dbraw/zinc/24/20/36/991242036.db2.gz GQYWVJGQYLSMCV-RYUDHWBXSA-N 1 2 233.315 1.121 20 0 BDADLO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cn1 ZINC001139456529 991242044 /nfs/dbraw/zinc/24/20/44/991242044.db2.gz GQYWVJGQYLSMCV-RYUDHWBXSA-N 1 2 233.315 1.121 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCC1=O ZINC001139463703 991246289 /nfs/dbraw/zinc/24/62/89/991246289.db2.gz KSQHPBHMIDAMJS-VIFPVBQESA-N 1 2 220.272 1.198 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCC1=O ZINC001139463703 991246297 /nfs/dbraw/zinc/24/62/97/991246297.db2.gz KSQHPBHMIDAMJS-VIFPVBQESA-N 1 2 220.272 1.198 20 0 BDADLO CC(C)(C)[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001339402459 991262939 /nfs/dbraw/zinc/26/29/39/991262939.db2.gz PCQHLOWJHZKKHS-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(Cl)ccn2)CC[C@H]1F ZINC001139559731 991264300 /nfs/dbraw/zinc/26/43/00/991264300.db2.gz OFTIAYDWHRJGLN-MNOVXSKESA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(Cl)ccn2)CC[C@H]1F ZINC001139559731 991264313 /nfs/dbraw/zinc/26/43/13/991264313.db2.gz OFTIAYDWHRJGLN-MNOVXSKESA-N 1 2 244.697 1.640 20 0 BDADLO CC[N@H+](Cc1cc(Cl)ccn1)C1CN(C)C1 ZINC001139565411 991271362 /nfs/dbraw/zinc/27/13/62/991271362.db2.gz YOHRNGGKCUOAMW-UHFFFAOYSA-N 1 2 239.750 1.871 20 0 BDADLO CC[N@@H+](Cc1cc(Cl)ccn1)C1CN(C)C1 ZINC001139565411 991271371 /nfs/dbraw/zinc/27/13/71/991271371.db2.gz YOHRNGGKCUOAMW-UHFFFAOYSA-N 1 2 239.750 1.871 20 0 BDADLO CCOc1ccncc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001139632953 991308923 /nfs/dbraw/zinc/30/89/23/991308923.db2.gz WTEAHTITEKCOJJ-WCQYABFASA-N 1 2 234.299 1.453 20 0 BDADLO CCOc1ccncc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001139632953 991308940 /nfs/dbraw/zinc/30/89/40/991308940.db2.gz WTEAHTITEKCOJJ-WCQYABFASA-N 1 2 234.299 1.453 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001340811096 991328894 /nfs/dbraw/zinc/32/88/94/991328894.db2.gz WETZCSAZADSJHZ-RYUDHWBXSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cnc(C[N@H+]2CCc3nncn3CC2)s1 ZINC001139810271 991378446 /nfs/dbraw/zinc/37/84/46/991378446.db2.gz NNYLCEGBBSVUQL-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO Cc1cnc(C[N@@H+]2CCc3nncn3CC2)s1 ZINC001139810271 991378449 /nfs/dbraw/zinc/37/84/49/991378449.db2.gz NNYLCEGBBSVUQL-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO CCN(Cc1cnc(OC)s1)C1C[NH+](C)C1 ZINC001139820923 991379981 /nfs/dbraw/zinc/37/99/81/991379981.db2.gz DSEDCPSQHSNQBT-UHFFFAOYSA-N 1 2 241.360 1.288 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)nc1 ZINC001139837730 991393740 /nfs/dbraw/zinc/39/37/40/991393740.db2.gz SKLGNDJMOZDHJO-RYUDHWBXSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)nc1 ZINC001139837730 991393747 /nfs/dbraw/zinc/39/37/47/991393747.db2.gz SKLGNDJMOZDHJO-RYUDHWBXSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)nc1 ZINC001139840431 991398216 /nfs/dbraw/zinc/39/82/16/991398216.db2.gz QQANDHMQMGFWLZ-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)nc1 ZINC001139840431 991398221 /nfs/dbraw/zinc/39/82/21/991398221.db2.gz QQANDHMQMGFWLZ-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)cn1 ZINC001139928929 991420178 /nfs/dbraw/zinc/42/01/78/991420178.db2.gz FWERPAHPAGZKRN-CHWSQXEVSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)cn1 ZINC001139928929 991420181 /nfs/dbraw/zinc/42/01/81/991420181.db2.gz FWERPAHPAGZKRN-CHWSQXEVSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)cn1 ZINC001139928930 991420269 /nfs/dbraw/zinc/42/02/69/991420269.db2.gz FWERPAHPAGZKRN-OLZOCXBDSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)cn1 ZINC001139928930 991420274 /nfs/dbraw/zinc/42/02/74/991420274.db2.gz FWERPAHPAGZKRN-OLZOCXBDSA-N 1 2 238.306 1.542 20 0 BDADLO Cn1ncc2cc(C[N@@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC001139957453 991430591 /nfs/dbraw/zinc/43/05/91/991430591.db2.gz KIPXAIGMRKPKPF-KGLIPLIRSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1ncc2cc(C[N@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC001139957453 991430595 /nfs/dbraw/zinc/43/05/95/991430595.db2.gz KIPXAIGMRKPKPF-KGLIPLIRSA-N 1 2 243.310 1.546 20 0 BDADLO c1cnnc(C[N@@H+]2CCc3cnccc3C2)c1 ZINC001139970136 991436632 /nfs/dbraw/zinc/43/66/32/991436632.db2.gz LPTVAZVMUBUYKH-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1cnnc(C[N@H+]2CCc3cnccc3C2)c1 ZINC001139970136 991436641 /nfs/dbraw/zinc/43/66/41/991436641.db2.gz LPTVAZVMUBUYKH-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1cccnn1)C2 ZINC001139969075 991436970 /nfs/dbraw/zinc/43/69/70/991436970.db2.gz KQTLGAUWVLDNJQ-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1cccnn1)C2 ZINC001139969075 991436976 /nfs/dbraw/zinc/43/69/76/991436976.db2.gz KQTLGAUWVLDNJQ-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC001560235762 991437348 /nfs/dbraw/zinc/43/73/48/991437348.db2.gz UZWYKJXLBYPTGA-GHMZBOCLSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC001560235762 991437352 /nfs/dbraw/zinc/43/73/52/991437352.db2.gz UZWYKJXLBYPTGA-GHMZBOCLSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)[C@H](CO)[NH2+]Cc1noc(C2CCC2)n1 ZINC001560242425 991440557 /nfs/dbraw/zinc/44/05/57/991440557.db2.gz HYHOAFXQUISXEF-JTQLQIEISA-N 1 2 239.319 1.444 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnnc2)C[C@H](C)O1 ZINC001139980251 991453441 /nfs/dbraw/zinc/45/34/41/991453441.db2.gz LDVHIWWTBCSWBV-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnnc2)C[C@H](C)O1 ZINC001139980251 991453448 /nfs/dbraw/zinc/45/34/48/991453448.db2.gz LDVHIWWTBCSWBV-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO c1cnc([C@H]2CCC[N@H+]2Cc2ccnnc2)cn1 ZINC001139983597 991460982 /nfs/dbraw/zinc/46/09/82/991460982.db2.gz YBWUHZDAZHASTQ-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnc([C@H]2CCC[N@@H+]2Cc2ccnnc2)cn1 ZINC001139983597 991460984 /nfs/dbraw/zinc/46/09/84/991460984.db2.gz YBWUHZDAZHASTQ-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO c1cc(C[NH+]2CC3(CSC3)C2)cnn1 ZINC001139987117 991464209 /nfs/dbraw/zinc/46/42/09/991464209.db2.gz YWVFWDNHKZHHBD-UHFFFAOYSA-N 1 2 207.302 1.025 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988373 991468760 /nfs/dbraw/zinc/46/87/60/991468760.db2.gz VLGNFUDOFANMIW-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988373 991468769 /nfs/dbraw/zinc/46/87/69/991468769.db2.gz VLGNFUDOFANMIW-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139992988 991475495 /nfs/dbraw/zinc/47/54/95/991475495.db2.gz ACPZVEFWMVYJSS-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139992988 991475502 /nfs/dbraw/zinc/47/55/02/991475502.db2.gz ACPZVEFWMVYJSS-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)nn2)cc(C)n1 ZINC001560509008 991491854 /nfs/dbraw/zinc/49/18/54/991491854.db2.gz OFAWWYXATHNOMV-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO CNc1nccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001140039645 991493689 /nfs/dbraw/zinc/49/36/89/991493689.db2.gz IIEXXOWXRCLZHA-JTQLQIEISA-N 1 2 248.330 1.319 20 0 BDADLO CNc1nccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001140039645 991493694 /nfs/dbraw/zinc/49/36/94/991493694.db2.gz IIEXXOWXRCLZHA-JTQLQIEISA-N 1 2 248.330 1.319 20 0 BDADLO CNc1nccc(C[N@@H+]2CCCC[C@@H](F)C2)n1 ZINC001140040495 991493825 /nfs/dbraw/zinc/49/38/25/991493825.db2.gz LDYYZINMXKBRHC-SNVBAGLBSA-N 1 2 238.310 1.842 20 0 BDADLO CNc1nccc(C[N@H+]2CCCC[C@@H](F)C2)n1 ZINC001140040495 991493831 /nfs/dbraw/zinc/49/38/31/991493831.db2.gz LDYYZINMXKBRHC-SNVBAGLBSA-N 1 2 238.310 1.842 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1nn(C)cc1C ZINC001560601359 991510865 /nfs/dbraw/zinc/51/08/65/991510865.db2.gz WRRDSGYYDPEOCL-UHFFFAOYSA-N 1 2 248.330 1.877 20 0 BDADLO COC(C[N@H+](C)Cc1ccc(O)cc1F)OC ZINC001140128887 991528477 /nfs/dbraw/zinc/52/84/77/991528477.db2.gz IMGCQPINTWAHEG-UHFFFAOYSA-N 1 2 243.278 1.582 20 0 BDADLO COC(C[N@@H+](C)Cc1ccc(O)cc1F)OC ZINC001140128887 991528487 /nfs/dbraw/zinc/52/84/87/991528487.db2.gz IMGCQPINTWAHEG-UHFFFAOYSA-N 1 2 243.278 1.582 20 0 BDADLO COc1cc(C[NH+]2CC3(CN(C)C3)C2)ccc1C ZINC001140161732 991543022 /nfs/dbraw/zinc/54/30/22/991543022.db2.gz RZORMPPDGVULND-UHFFFAOYSA-N 1 2 246.354 1.751 20 0 BDADLO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)ccc1C ZINC001140160086 991543382 /nfs/dbraw/zinc/54/33/82/991543382.db2.gz LWTGXYDKCJZNFL-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)ccc1C ZINC001140160086 991543387 /nfs/dbraw/zinc/54/33/87/991543387.db2.gz LWTGXYDKCJZNFL-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO CC(C)COC1C[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC001560710142 991570274 /nfs/dbraw/zinc/57/02/74/991570274.db2.gz AEEPYTHKVWJHQA-UHFFFAOYSA-N 1 2 236.315 1.644 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2O)CCO1 ZINC001140274209 991579398 /nfs/dbraw/zinc/57/93/98/991579398.db2.gz WZNJXMORRTYUHJ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2O)CCO1 ZINC001140274209 991579411 /nfs/dbraw/zinc/57/94/11/991579411.db2.gz WZNJXMORRTYUHJ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO O=C1CC[N@@H+](Cc2ccncc2O)CC[C@H]1F ZINC001140273718 991583159 /nfs/dbraw/zinc/58/31/59/991583159.db2.gz PVVRBCNOERDOJI-SNVBAGLBSA-N 1 2 238.262 1.290 20 0 BDADLO CC[N@H+](Cc1ccncc1O)C1COC1 ZINC001140276910 991587970 /nfs/dbraw/zinc/58/79/70/991587970.db2.gz NUDQOXFBKBWPFL-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CC[N@@H+](Cc1ccncc1O)C1COC1 ZINC001140276910 991587981 /nfs/dbraw/zinc/58/79/81/991587981.db2.gz NUDQOXFBKBWPFL-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO COCC1=CC[N@H+](Cc2cn(C3CC3)cn2)CC1 ZINC001560778464 991599283 /nfs/dbraw/zinc/59/92/83/991599283.db2.gz KGRRBXNJLZLNJE-UHFFFAOYSA-N 1 2 247.342 1.997 20 0 BDADLO COCC1=CC[N@@H+](Cc2cn(C3CC3)cn2)CC1 ZINC001560778464 991599297 /nfs/dbraw/zinc/59/92/97/991599297.db2.gz KGRRBXNJLZLNJE-UHFFFAOYSA-N 1 2 247.342 1.997 20 0 BDADLO Oc1cnccc1C[N@@H+]1CCn2cccc2C1 ZINC001140278543 991600560 /nfs/dbraw/zinc/60/05/60/991600560.db2.gz SVKOASCWMPBRRN-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO Oc1cnccc1C[N@H+]1CCn2cccc2C1 ZINC001140278543 991600563 /nfs/dbraw/zinc/60/05/63/991600563.db2.gz SVKOASCWMPBRRN-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO C[C@H](C(=O)N(C)Cc1ccoc1)n1cc[nH+]c1 ZINC001318034456 991614793 /nfs/dbraw/zinc/61/47/93/991614793.db2.gz IBUUYEWHLNKJRZ-SNVBAGLBSA-N 1 2 233.271 1.696 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NC1C[NH+](CC)C1 ZINC001318073555 991616662 /nfs/dbraw/zinc/61/66/62/991616662.db2.gz HIYYYNWDTIYPJY-NXEZZACHSA-N 1 2 212.337 1.489 20 0 BDADLO C[N@H+](Cc1ccccn1)Cc1ccncn1 ZINC001140347055 991617370 /nfs/dbraw/zinc/61/73/70/991617370.db2.gz XEARZYXMQGLDQK-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccccn1)Cc1ccncn1 ZINC001140347055 991617374 /nfs/dbraw/zinc/61/73/74/991617374.db2.gz XEARZYXMQGLDQK-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncn1 ZINC001140349648 991621487 /nfs/dbraw/zinc/62/14/87/991621487.db2.gz FXWXFHKAHVBBPI-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccncn1 ZINC001140349648 991621494 /nfs/dbraw/zinc/62/14/94/991621494.db2.gz FXWXFHKAHVBBPI-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO CCn1nc(C)c(C[NH+]2CCC(OC)CC2)n1 ZINC001560853579 991625246 /nfs/dbraw/zinc/62/52/46/991625246.db2.gz BLFAJBCGEBSOJJ-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO COC1C[NH+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140382899 991627283 /nfs/dbraw/zinc/62/72/83/991627283.db2.gz USEXKKMCRRZDCC-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO N#CN1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203035928 991636779 /nfs/dbraw/zinc/63/67/79/991636779.db2.gz MFDROFRRYCELIJ-UHFFFAOYSA-N 1 2 241.338 1.774 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC001318307842 991645219 /nfs/dbraw/zinc/64/52/19/991645219.db2.gz PUNAWRBACKPKNJ-CMPLNLGQSA-N 1 2 233.315 1.845 20 0 BDADLO CCCc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC001318378589 991654546 /nfs/dbraw/zinc/65/45/46/991654546.db2.gz GVZIKFPRGAFHCG-VIFPVBQESA-N 1 2 247.302 1.758 20 0 BDADLO CCOC1C[NH+](Cc2ccc(O)c(C)c2)C1 ZINC001140574495 991672869 /nfs/dbraw/zinc/67/28/69/991672869.db2.gz HGFBGPHVANCHLK-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)CC ZINC001318660172 991695534 /nfs/dbraw/zinc/69/55/34/991695534.db2.gz FAWXZRIHVYHILJ-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)CC ZINC001318660172 991695540 /nfs/dbraw/zinc/69/55/40/991695540.db2.gz FAWXZRIHVYHILJ-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO C[C@@H](C(=O)NCc1cccn1C)n1cc[nH+]c1 ZINC001318907760 991732893 /nfs/dbraw/zinc/73/28/93/991732893.db2.gz GBAQBEWAVLUJFY-JTQLQIEISA-N 1 2 232.287 1.099 20 0 BDADLO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](CO)C(=O)OC ZINC001258778998 991745168 /nfs/dbraw/zinc/74/51/68/991745168.db2.gz PRTISZBLNCXOFD-HBNTYKKESA-N 1 2 231.336 1.325 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC001318997346 991759855 /nfs/dbraw/zinc/75/98/55/991759855.db2.gz TWZVLAJENSJYMS-GMTAPVOTSA-N 1 2 221.304 1.559 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@@H]1C=CCC1 ZINC001565035942 991780942 /nfs/dbraw/zinc/78/09/42/991780942.db2.gz DWNYOUJGRBLEHO-SNVBAGLBSA-N 1 2 232.287 1.182 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001319116565 991787286 /nfs/dbraw/zinc/78/72/86/991787286.db2.gz KMKYYDSCGPTTMM-QWRGUYRKSA-N 1 2 221.304 1.703 20 0 BDADLO C[C@@H](C(=O)N[C@H]1C=CCCC1)n1cc[nH+]c1 ZINC001319254865 991826513 /nfs/dbraw/zinc/82/65/13/991826513.db2.gz CFRXBYJDWPULEP-QWRGUYRKSA-N 1 2 219.288 1.669 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccncc1C ZINC001566189109 991828521 /nfs/dbraw/zinc/82/85/21/991828521.db2.gz YIDLQPGQTGPJBZ-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(Cl)no1 ZINC001566188822 991829146 /nfs/dbraw/zinc/82/91/46/991829146.db2.gz KVQFLFPVMDJSRA-UHFFFAOYSA-N 1 2 240.650 1.290 20 0 BDADLO C[C@H]1CCC[C@@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258819455 991838357 /nfs/dbraw/zinc/83/83/57/991838357.db2.gz QZDGYEKPSQDGRJ-VHSXEESVSA-N 1 2 201.285 1.581 20 0 BDADLO CCO/C=C\C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001566729142 991870661 /nfs/dbraw/zinc/87/06/61/991870661.db2.gz PTCMZUUPSBZCEV-HJWRWDBZSA-N 1 2 249.314 1.945 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(O)cc1)n1cc[nH+]c1 ZINC001319475776 991874043 /nfs/dbraw/zinc/87/40/43/991874043.db2.gz ZFEBWRKYISLUFM-VIFPVBQESA-N 1 2 231.255 1.788 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319653108 991922292 /nfs/dbraw/zinc/92/22/92/991922292.db2.gz LAODIHPTWBHOSY-IUCAKERBSA-N 1 2 227.333 1.312 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)[nH]n1 ZINC001319706083 991945557 /nfs/dbraw/zinc/94/55/57/991945557.db2.gz UWTZBRJHPXZLMT-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)[nH]n1 ZINC001319706083 991945566 /nfs/dbraw/zinc/94/55/66/991945566.db2.gz UWTZBRJHPXZLMT-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1cn[nH]c1)n1cc[nH+]c1 ZINC001319731363 991952265 /nfs/dbraw/zinc/95/22/65/991952265.db2.gz ODLLUJAJPDBOJN-DTWKUNHWSA-N 1 2 233.275 1.045 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H]1CC[N@@H+]1CC ZINC001567417038 992032977 /nfs/dbraw/zinc/03/29/77/992032977.db2.gz HMAIBYNOWWMNHR-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H]1CC[N@H+]1CC ZINC001567417038 992032986 /nfs/dbraw/zinc/03/29/86/992032986.db2.gz HMAIBYNOWWMNHR-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO O=S(=O)(Nc1cc[nH+]c(C2CC2)c1)C(F)F ZINC001259951453 992051631 /nfs/dbraw/zinc/05/16/31/992051631.db2.gz ZOPGWLBMVAOYBB-UHFFFAOYSA-N 1 2 248.254 1.923 20 0 BDADLO C[C@@H](C(=O)N1CC=CCC1)n1cc[nH+]c1 ZINC001320026690 992075328 /nfs/dbraw/zinc/07/53/28/992075328.db2.gz VGNFXTFTDWQSPX-JTQLQIEISA-N 1 2 205.261 1.233 20 0 BDADLO CC/C=C(/C)C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001567786112 992090267 /nfs/dbraw/zinc/09/02/67/992090267.db2.gz MRWJAFCAFWAEPQ-YAEJEKNGSA-N 1 2 240.347 1.178 20 0 BDADLO CCCCCCC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001567815225 992100276 /nfs/dbraw/zinc/10/02/76/992100276.db2.gz GPPXALMLBQRPQR-NSHDSACASA-N 1 2 242.363 1.138 20 0 BDADLO O=C(CC1CCC1)NCC1C[NH+](CCF)C1 ZINC001567825953 992105249 /nfs/dbraw/zinc/10/52/49/992105249.db2.gz HOPYVBTWGLBXDC-UHFFFAOYSA-N 1 2 228.311 1.194 20 0 BDADLO COCC1(C)CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001320178828 992120815 /nfs/dbraw/zinc/12/08/15/992120815.db2.gz MQKNSTYCMMIENW-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO C[C@H](C(=O)N[C@]12C[C@H]1CCCC2)n1cc[nH+]c1 ZINC001332208581 992169315 /nfs/dbraw/zinc/16/93/15/992169315.db2.gz LCKKDUBQWQFDDJ-NQBHXWOUSA-N 1 2 233.315 1.893 20 0 BDADLO C[C@@H](C(=O)Nc1cccc(O)c1F)n1cc[nH+]c1 ZINC001320325290 992171430 /nfs/dbraw/zinc/17/14/30/992171430.db2.gz BNHOURCPZMUVOE-QMMMGPOBSA-N 1 2 249.245 1.928 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261213422 992192826 /nfs/dbraw/zinc/19/28/26/992192826.db2.gz JYSWLANNHYPBFK-WDEREUQCSA-N 1 2 239.319 1.328 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261213419 992193825 /nfs/dbraw/zinc/19/38/25/992193825.db2.gz JYSWLANNHYPBFK-GHMZBOCLSA-N 1 2 239.319 1.328 20 0 BDADLO Cc1cc(CNc2nc(N(C)C)cc[nH+]2)n[nH]1 ZINC001320554702 992241589 /nfs/dbraw/zinc/24/15/89/992241589.db2.gz CMQQMBARWXRRHL-UHFFFAOYSA-N 1 2 232.291 1.186 20 0 BDADLO Cc1cc(C[N@H+](CCO)C2CCC2)n[nH]1 ZINC001320589013 992264863 /nfs/dbraw/zinc/26/48/63/992264863.db2.gz DWQIGGBVPYQKFM-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@@H+](CCO)C2CCC2)n[nH]1 ZINC001320589013 992264882 /nfs/dbraw/zinc/26/48/82/992264882.db2.gz DWQIGGBVPYQKFM-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO CC[C@]1(NC(=O)[C@H](C)n2cc[nH+]c2)CCOC1 ZINC001320710216 992329231 /nfs/dbraw/zinc/32/92/31/992329231.db2.gz DVAHLRVJGGMKDK-JQWIXIFHSA-N 1 2 237.303 1.129 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCc1ccncc1)C1CC1 ZINC001261504301 992355462 /nfs/dbraw/zinc/35/54/62/992355462.db2.gz CXULFSUOAVODOB-CYBMUJFWSA-N 1 2 248.326 1.555 20 0 BDADLO Cc1nocc1C[S@](=O)Cc1c[nH+]cn1C ZINC001261577963 992400472 /nfs/dbraw/zinc/40/04/72/992400472.db2.gz OGTLOMGGYKJQDL-INIZCTEOSA-N 1 2 239.300 1.165 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ncnn1C ZINC001320999483 992428000 /nfs/dbraw/zinc/42/80/00/992428000.db2.gz NDJYNVGPQWMHHG-NXEZZACHSA-N 1 2 231.303 1.622 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261667165 992458018 /nfs/dbraw/zinc/45/80/18/992458018.db2.gz NCMHHQGDOIIWGV-NXEZZACHSA-N 1 2 225.292 1.633 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1nnc2n1CCC2 ZINC001321196298 992483657 /nfs/dbraw/zinc/48/36/57/992483657.db2.gz LXBVPQUEPJGLNZ-UHFFFAOYSA-N 1 2 243.314 1.218 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC001321296591 992511584 /nfs/dbraw/zinc/51/15/84/992511584.db2.gz QMMRHMBOGPRHGZ-NEPJUHHUSA-N 1 2 239.315 1.610 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc(C)co2)CCO1 ZINC001262108994 992676072 /nfs/dbraw/zinc/67/60/72/992676072.db2.gz GCFRSODOZWWZGY-GFCCVEGCSA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc(C)co2)CCO1 ZINC001262108994 992676087 /nfs/dbraw/zinc/67/60/87/992676087.db2.gz GCFRSODOZWWZGY-GFCCVEGCSA-N 1 2 225.288 1.435 20 0 BDADLO CC[C@@H](C[NH2+][C@@H]1CCC[N@H+](CC)C1)C(=O)[O-] ZINC001573805819 992718494 /nfs/dbraw/zinc/71/84/94/992718494.db2.gz ZNDMRLJJIJFIAA-WDEREUQCSA-N 1 2 228.336 1.171 20 0 BDADLO CC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](CC)C1)C(=O)[O-] ZINC001573805819 992718503 /nfs/dbraw/zinc/71/85/03/992718503.db2.gz ZNDMRLJJIJFIAA-WDEREUQCSA-N 1 2 228.336 1.171 20 0 BDADLO CC[N@@H+]1CCC[C@H]([NH2+]CCC(C)(C)C(=O)[O-])C1 ZINC001573888389 992744117 /nfs/dbraw/zinc/74/41/17/992744117.db2.gz CZPOZVXEZZWNOI-NSHDSACASA-N 1 2 242.363 1.561 20 0 BDADLO CC[N@H+]1CCC[C@H]([NH2+]CCC(C)(C)C(=O)[O-])C1 ZINC001573888389 992744124 /nfs/dbraw/zinc/74/41/24/992744124.db2.gz CZPOZVXEZZWNOI-NSHDSACASA-N 1 2 242.363 1.561 20 0 BDADLO CCN(CC(C)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001262173738 992752106 /nfs/dbraw/zinc/75/21/06/992752106.db2.gz RNOASJCHLBPHHO-UHFFFAOYSA-N 1 2 237.303 1.125 20 0 BDADLO Cc1oc(C=O)cc1C(=O)NCC[NH+]1CC=CC1 ZINC001262326785 992839319 /nfs/dbraw/zinc/83/93/19/992839319.db2.gz QVRWPZDWPCNYCA-UHFFFAOYSA-N 1 2 248.282 1.002 20 0 BDADLO O=C(O[C@@H]1COc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC001574429601 992859984 /nfs/dbraw/zinc/85/99/84/992859984.db2.gz RQOUOYYBBMZJCS-DGCLKSJQSA-N 1 2 247.294 1.805 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@H](CO)C2)[nH+]1 ZINC001262676229 993017748 /nfs/dbraw/zinc/01/77/48/993017748.db2.gz TYGIOZIESBBAPZ-SNVBAGLBSA-N 1 2 224.279 1.738 20 0 BDADLO CCn1cnc2c1ncnc2Nc1[nH]cc(C)[nH+]1 ZINC001262687260 993026526 /nfs/dbraw/zinc/02/65/26/993026526.db2.gz JHXBGNUHLPUHTR-UHFFFAOYSA-N 1 2 243.274 1.621 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC001262805037 993067964 /nfs/dbraw/zinc/06/79/64/993067964.db2.gz BZNHKYKHDWUQRN-XTWCZFFVSA-N 1 2 248.326 1.872 20 0 BDADLO CN(C)c1cc(COC(=O)[C@@H]2C[C@H]2F)cc[nH+]1 ZINC001263446838 993320218 /nfs/dbraw/zinc/32/02/18/993320218.db2.gz DEQDCDVWQAYDAU-NXEZZACHSA-N 1 2 238.262 1.549 20 0 BDADLO C[C@@H](Cc1ccncc1)[NH2+]CC(F)(F)CO ZINC000381782966 993423737 /nfs/dbraw/zinc/42/37/37/993423737.db2.gz YENQTLWNXUEIAL-VIFPVBQESA-N 1 2 230.258 1.230 20 0 BDADLO C[C@@H]1Cc2cnccc2N1C(=O)Cc1c[nH]c[nH+]1 ZINC001263871747 993569903 /nfs/dbraw/zinc/56/99/03/993569903.db2.gz YPWPZJUBCKQZPK-SECBINFHSA-N 1 2 242.282 1.325 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001263987036 993639248 /nfs/dbraw/zinc/63/92/48/993639248.db2.gz BDMOAEMOBGXDRC-CHWSQXEVSA-N 1 2 247.342 1.826 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001263987703 993640401 /nfs/dbraw/zinc/64/04/01/993640401.db2.gz SLNNEZXEJDSLFO-WCQYABFASA-N 1 2 247.342 1.895 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCc1ccsc1 ZINC001263988851 993640468 /nfs/dbraw/zinc/64/04/68/993640468.db2.gz FGGOKDYKFKOPKO-UHFFFAOYSA-N 1 2 249.339 1.694 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001263987039 993641180 /nfs/dbraw/zinc/64/11/80/993641180.db2.gz BDMOAEMOBGXDRC-STQMWFEESA-N 1 2 247.342 1.826 20 0 BDADLO CN(C)c1ccc(Nc2cncc(N)c2)c[nH+]1 ZINC000387009354 993699756 /nfs/dbraw/zinc/69/97/56/993699756.db2.gz KGSVUCVQJFCPCF-UHFFFAOYSA-N 1 2 229.287 1.868 20 0 BDADLO CCC[C@@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000389959138 993770937 /nfs/dbraw/zinc/77/09/37/993770937.db2.gz VIECXGCJXFHRIT-KOLCDFICSA-N 1 2 215.293 1.097 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)C1(CF)CCC1 ZINC001265304096 993839179 /nfs/dbraw/zinc/83/91/79/993839179.db2.gz VOLAELUPAURFLG-JTQLQIEISA-N 1 2 246.301 1.286 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)C1(CF)CCC1 ZINC001265304096 993839185 /nfs/dbraw/zinc/83/91/85/993839185.db2.gz VOLAELUPAURFLG-JTQLQIEISA-N 1 2 246.301 1.286 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2nnc(C)[nH]2)cn1 ZINC000392365696 993853995 /nfs/dbraw/zinc/85/39/95/993853995.db2.gz VDXIFBKJTULRPQ-MRVPVSSYSA-N 1 2 234.307 1.180 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cn(C)nc2C)[nH]1 ZINC000392413298 993857677 /nfs/dbraw/zinc/85/76/77/993857677.db2.gz FCYFHHOKVNOEDP-MRVPVSSYSA-N 1 2 234.307 1.006 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cncs2)[nH]1 ZINC000392473940 993861714 /nfs/dbraw/zinc/86/17/14/993861714.db2.gz RPCQZBVKTNEWPI-LURJTMIESA-N 1 2 223.305 1.420 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000701692717 993899968 /nfs/dbraw/zinc/89/99/68/993899968.db2.gz JLOFAQSCFFMUIZ-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000701692717 993899971 /nfs/dbraw/zinc/89/99/71/993899971.db2.gz JLOFAQSCFFMUIZ-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CCC(CC)C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001280396387 994107878 /nfs/dbraw/zinc/10/78/78/994107878.db2.gz CROVAQHORTXVOP-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001280396387 994107881 /nfs/dbraw/zinc/10/78/81/994107881.db2.gz CROVAQHORTXVOP-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C(C)(C)C ZINC001316607190 994140489 /nfs/dbraw/zinc/14/04/89/994140489.db2.gz RKTDIKBGRAKUIA-JTQLQIEISA-N 1 2 230.327 1.535 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C(C)(C)C ZINC001316607190 994140503 /nfs/dbraw/zinc/14/05/03/994140503.db2.gz RKTDIKBGRAKUIA-JTQLQIEISA-N 1 2 230.327 1.535 20 0 BDADLO C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593248171 994470210 /nfs/dbraw/zinc/47/02/10/994470210.db2.gz JULYBEYSVHCIQO-DCAQKATOSA-N 1 2 240.347 1.170 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001288771027 994479719 /nfs/dbraw/zinc/47/97/19/994479719.db2.gz MWMITWGBDPYGIB-NQBHXWOUSA-N 1 2 246.310 1.484 20 0 BDADLO C[C@H]([NH2+]CCC[NH+](C)C)c1cc(C(=O)[O-])co1 ZINC001593265121 994570766 /nfs/dbraw/zinc/57/07/66/994570766.db2.gz PTBXQCCZGYVKKB-VIFPVBQESA-N 1 2 240.303 1.580 20 0 BDADLO C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(C(=O)[O-])co1 ZINC001593285928 994639898 /nfs/dbraw/zinc/63/98/98/994639898.db2.gz LFDBYVUJQJIBQZ-VIFPVBQESA-N 1 2 249.270 1.525 20 0 BDADLO C[C@@H](C(=O)N1CCOCC[C@H]1C)n1cc[nH+]c1 ZINC001334806272 994640869 /nfs/dbraw/zinc/64/08/69/994640869.db2.gz ODDXBUIUEUHMPC-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccnc1C ZINC001294026930 994677757 /nfs/dbraw/zinc/67/77/57/994677757.db2.gz LZEWPZKVHVOCNR-LLVKDONJSA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccnc1C ZINC001294026930 994677761 /nfs/dbraw/zinc/67/77/61/994677761.db2.gz LZEWPZKVHVOCNR-LLVKDONJSA-N 1 2 219.288 1.423 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001294284440 994693344 /nfs/dbraw/zinc/69/33/44/994693344.db2.gz VZNCDWRFBGEBJP-RNFRBKRXSA-N 1 2 247.220 1.533 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001296698954 994828041 /nfs/dbraw/zinc/82/80/41/994828041.db2.gz XCEIQNAVAVWVLM-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001339103329 995254073 /nfs/dbraw/zinc/25/40/73/995254073.db2.gz OBEBYCZMVUNLPG-NWDGAFQWSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cnc(C)c(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC001307088359 995285691 /nfs/dbraw/zinc/28/56/91/995285691.db2.gz HMMQSJHOOIAGHG-UHFFFAOYSA-N 1 2 243.314 1.707 20 0 BDADLO COc1nscc1C[N@H+]1CC=CCC1 ZINC001307608311 995414859 /nfs/dbraw/zinc/41/48/59/995414859.db2.gz JMPSGTCSDXHUGJ-UHFFFAOYSA-N 1 2 210.302 1.914 20 0 BDADLO COc1nscc1C[N@@H+]1CC=CCC1 ZINC001307608311 995414864 /nfs/dbraw/zinc/41/48/64/995414864.db2.gz JMPSGTCSDXHUGJ-UHFFFAOYSA-N 1 2 210.302 1.914 20 0 BDADLO FCCn1cc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001307958355 995510010 /nfs/dbraw/zinc/51/00/10/995510010.db2.gz PPGPBSNIZPSQLC-UHFFFAOYSA-N 1 2 249.293 1.065 20 0 BDADLO FCCn1cc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001307958355 995510019 /nfs/dbraw/zinc/51/00/19/995510019.db2.gz PPGPBSNIZPSQLC-UHFFFAOYSA-N 1 2 249.293 1.065 20 0 BDADLO Cc1oncc1C[N@@H+]1CCN2C[C@@H](F)C[C@H]2C1 ZINC001308133328 995562200 /nfs/dbraw/zinc/56/22/00/995562200.db2.gz HNLCPROHQXZQCM-RYUDHWBXSA-N 1 2 239.294 1.211 20 0 BDADLO Cc1oncc1C[N@H+]1CCN2C[C@@H](F)C[C@H]2C1 ZINC001308133328 995562207 /nfs/dbraw/zinc/56/22/07/995562207.db2.gz HNLCPROHQXZQCM-RYUDHWBXSA-N 1 2 239.294 1.211 20 0 BDADLO c1csc(C[NH2+]Cc2cnc3cnccn23)n1 ZINC001308216879 995597483 /nfs/dbraw/zinc/59/74/83/995597483.db2.gz RTHSYSILIZNFDB-UHFFFAOYSA-N 1 2 245.311 1.476 20 0 BDADLO COC(=O)C1(CNc2cc(C(C)C)[nH+]cn2)CC1 ZINC000548597483 398138252 /nfs/dbraw/zinc/13/82/52/398138252.db2.gz UIWSQTUMZAAWAQ-UHFFFAOYSA-N 1 2 249.314 1.387 20 0 BDADLO CC(C)[C@H](C)N(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548583275 398137701 /nfs/dbraw/zinc/13/77/01/398137701.db2.gz IKAAIYZIFKDPTB-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000576217338 365524191 /nfs/dbraw/zinc/52/41/91/365524191.db2.gz PCTVQOQUMBDWPO-UHFFFAOYSA-N 1 2 239.344 1.601 20 0 BDADLO Cc1nnsc1C[N@H+]1CCOC2(CCC2)C1 ZINC000576217338 365524194 /nfs/dbraw/zinc/52/41/94/365524194.db2.gz PCTVQOQUMBDWPO-UHFFFAOYSA-N 1 2 239.344 1.601 20 0 BDADLO C[C@H]([C@H](C)O)n1c2ccccc2[nH+]c1CCCO ZINC000268038182 538916425 /nfs/dbraw/zinc/91/64/25/538916425.db2.gz JFNGCJJYKKMGEO-MNOVXSKESA-N 1 2 248.326 1.903 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H](C)SC)[nH+]1 ZINC000602129156 349457201 /nfs/dbraw/zinc/45/72/01/349457201.db2.gz NMNIILFSHNFQLP-QMMMGPOBSA-N 1 2 241.360 1.382 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619366756 343977966 /nfs/dbraw/zinc/97/79/66/343977966.db2.gz IKCYZSAQYXDYEI-UWVGGRQHSA-N 1 2 219.288 1.129 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649863921 398145228 /nfs/dbraw/zinc/14/52/28/398145228.db2.gz TVIBWBSWDCBQCE-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649863921 398145231 /nfs/dbraw/zinc/14/52/31/398145231.db2.gz TVIBWBSWDCBQCE-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058873897 349475793 /nfs/dbraw/zinc/47/57/93/349475793.db2.gz BRFBMHUWBGRXAU-PHIMTYICSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058873897 349475795 /nfs/dbraw/zinc/47/57/95/349475795.db2.gz BRFBMHUWBGRXAU-PHIMTYICSA-N 1 2 228.336 1.012 20 0 BDADLO CCC(CC)(CO)Nc1[nH+]cnc2c1cnn2C ZINC000053071185 168329420 /nfs/dbraw/zinc/32/94/20/168329420.db2.gz RQWPEAFIQMWIED-UHFFFAOYSA-N 1 2 249.318 1.326 20 0 BDADLO CC(C)COCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000337323264 187324021 /nfs/dbraw/zinc/32/40/21/187324021.db2.gz SEQDQZVVYWCNOV-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)COCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000337323264 187324023 /nfs/dbraw/zinc/32/40/23/187324023.db2.gz SEQDQZVVYWCNOV-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000649867915 398151473 /nfs/dbraw/zinc/15/14/73/398151473.db2.gz VCRHYWQWDAJBFY-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000649867915 398151479 /nfs/dbraw/zinc/15/14/79/398151479.db2.gz VCRHYWQWDAJBFY-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccsc1 ZINC000299696195 398152170 /nfs/dbraw/zinc/15/21/70/398152170.db2.gz YEXBUQHUQWVJHX-UHFFFAOYSA-N 1 2 235.312 1.651 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1ncc(Cl)s1 ZINC000649869883 398156907 /nfs/dbraw/zinc/15/69/07/398156907.db2.gz OIDJVTUCMCKESI-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000649869883 398156912 /nfs/dbraw/zinc/15/69/12/398156912.db2.gz OIDJVTUCMCKESI-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907947 398182867 /nfs/dbraw/zinc/18/28/67/398182867.db2.gz COWJUEHCDPLAET-IONNQARKSA-N 1 2 243.261 1.002 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907947 398182868 /nfs/dbraw/zinc/18/28/68/398182868.db2.gz COWJUEHCDPLAET-IONNQARKSA-N 1 2 243.261 1.002 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000045839009 398182886 /nfs/dbraw/zinc/18/28/86/398182886.db2.gz QLWUPZYVMZOEEM-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000045839009 398182888 /nfs/dbraw/zinc/18/28/88/398182888.db2.gz QLWUPZYVMZOEEM-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CC2)nc1 ZINC000649897727 398169567 /nfs/dbraw/zinc/16/95/67/398169567.db2.gz GWXAFZDWVVTLAR-LLVKDONJSA-N 1 2 247.342 1.489 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2CC2)nc1 ZINC000649897727 398169569 /nfs/dbraw/zinc/16/95/69/398169569.db2.gz GWXAFZDWVVTLAR-LLVKDONJSA-N 1 2 247.342 1.489 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649898810 398169644 /nfs/dbraw/zinc/16/96/44/398169644.db2.gz AMUQQSZDQHYERE-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649898810 398169646 /nfs/dbraw/zinc/16/96/46/398169646.db2.gz AMUQQSZDQHYERE-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CCCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454187814 398170433 /nfs/dbraw/zinc/17/04/33/398170433.db2.gz MXSMQWQULPPHEP-VHSXEESVSA-N 1 2 236.319 1.988 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C2CC2)nc1 ZINC000649900683 398170857 /nfs/dbraw/zinc/17/08/57/398170857.db2.gz RBQLXAKGGJYXOH-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C2CC2)nc1 ZINC000649900683 398170860 /nfs/dbraw/zinc/17/08/60/398170860.db2.gz RBQLXAKGGJYXOH-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cc(C[NH2+][C@@H](c2nccn2C)C2CC2)on1 ZINC000187763008 178031541 /nfs/dbraw/zinc/03/15/41/178031541.db2.gz BTISYDDUEBSVPA-GFCCVEGCSA-N 1 2 246.314 1.957 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)no1 ZINC000044692668 178039634 /nfs/dbraw/zinc/03/96/34/178039634.db2.gz LQCXZVYUWNNNPX-LBPRGKRZSA-N 1 2 246.314 1.884 20 0 BDADLO C/C=C/C[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000277792463 398178689 /nfs/dbraw/zinc/17/86/89/398178689.db2.gz MUOJLMATGFJNKL-TYWZFMJISA-N 1 2 242.710 1.451 20 0 BDADLO C/C=C/C[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000277792463 398178691 /nfs/dbraw/zinc/17/86/91/398178691.db2.gz MUOJLMATGFJNKL-TYWZFMJISA-N 1 2 242.710 1.451 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CC1=CCCC1 ZINC000649885430 398163422 /nfs/dbraw/zinc/16/34/22/398163422.db2.gz QBXPVPAIACOBKS-CQSZACIVSA-N 1 2 247.342 1.904 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CC1=CCCC1 ZINC000649885430 398163425 /nfs/dbraw/zinc/16/34/25/398163425.db2.gz QBXPVPAIACOBKS-CQSZACIVSA-N 1 2 247.342 1.904 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907948 398182704 /nfs/dbraw/zinc/18/27/04/398182704.db2.gz COWJUEHCDPLAET-VXNVDRBHSA-N 1 2 243.261 1.002 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907948 398182706 /nfs/dbraw/zinc/18/27/06/398182706.db2.gz COWJUEHCDPLAET-VXNVDRBHSA-N 1 2 243.261 1.002 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1cnn[nH]1)C2 ZINC000649907992 398182754 /nfs/dbraw/zinc/18/27/54/398182754.db2.gz DOOLOUHHMIHEEX-QMMMGPOBSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1cnn[nH]1)C2 ZINC000649907992 398182756 /nfs/dbraw/zinc/18/27/56/398182756.db2.gz DOOLOUHHMIHEEX-QMMMGPOBSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1c[nH]nn1)C2 ZINC000649907992 398182758 /nfs/dbraw/zinc/18/27/58/398182758.db2.gz DOOLOUHHMIHEEX-QMMMGPOBSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1c[nH]nn1)C2 ZINC000649907992 398182760 /nfs/dbraw/zinc/18/27/60/398182760.db2.gz DOOLOUHHMIHEEX-QMMMGPOBSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1cn[nH]n1)C2 ZINC000649907992 398182763 /nfs/dbraw/zinc/18/27/63/398182763.db2.gz DOOLOUHHMIHEEX-QMMMGPOBSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1cn[nH]n1)C2 ZINC000649907992 398182765 /nfs/dbraw/zinc/18/27/65/398182765.db2.gz DOOLOUHHMIHEEX-QMMMGPOBSA-N 1 2 214.219 1.036 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccc(N)nc2)[C@H]1C ZINC000380547798 398199682 /nfs/dbraw/zinc/19/96/82/398199682.db2.gz XUIREMZWCRLBEO-UWVGGRQHSA-N 1 2 221.304 1.103 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccc(N)nc2)[C@H]1C ZINC000380547798 398199684 /nfs/dbraw/zinc/19/96/84/398199684.db2.gz XUIREMZWCRLBEO-UWVGGRQHSA-N 1 2 221.304 1.103 20 0 BDADLO CCC(CC)C(=O)NCc1[nH+]ccn1C ZINC000041533893 168338890 /nfs/dbraw/zinc/33/88/90/168338890.db2.gz OIGOSWFPULQNGL-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO Cc1cc(N(CCOCCO)C(C)C)nc[nH+]1 ZINC000336718013 178101570 /nfs/dbraw/zinc/10/15/70/178101570.db2.gz UVRGOLCWMNFJOD-UHFFFAOYSA-N 1 2 239.319 1.009 20 0 BDADLO Cc1cc(N(CCO)C2CC2)nc(C(C)C)[nH+]1 ZINC000040452752 178102281 /nfs/dbraw/zinc/10/22/81/178102281.db2.gz IUDZEVFFRKXKIZ-UHFFFAOYSA-N 1 2 235.331 1.870 20 0 BDADLO Cc1cc(N2CC(O)C2)c2cccc(F)c2[nH+]1 ZINC000124243113 178113362 /nfs/dbraw/zinc/11/33/62/178113362.db2.gz VCKGMWYAXHETJC-UHFFFAOYSA-N 1 2 232.258 1.863 20 0 BDADLO Cc1cc(N2CCC[C@H]2C[C@H](C)O)nc[nH+]1 ZINC000301775545 178116366 /nfs/dbraw/zinc/11/63/66/178116366.db2.gz NSJLOGKHXBHEOZ-QWRGUYRKSA-N 1 2 221.304 1.525 20 0 BDADLO Cc1cc(N2CCOCC[C@H]2C)nc[nH+]1 ZINC000301991853 178116695 /nfs/dbraw/zinc/11/66/95/178116695.db2.gz NNKYBOINDAUNRY-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1cc(N2CC[C@@H](CO)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000362664085 178117842 /nfs/dbraw/zinc/11/78/42/178117842.db2.gz LZAKGJMQLTXORG-PWSUYJOCSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H]2CO)cc[nH+]1 ZINC000190170734 178137425 /nfs/dbraw/zinc/13/74/25/178137425.db2.gz HJHMJMBJPCLYAY-JOYOIKCWSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H](O)[C@@H]2C)cc[nH+]1 ZINC000297666495 178137473 /nfs/dbraw/zinc/13/74/73/178137473.db2.gz FPMXWROKQFYVPD-JQWIXIFHSA-N 1 2 249.314 1.767 20 0 BDADLO Cc1cc(NC(=O)N2CCOC[C@H]2C)cc[nH+]1 ZINC000119754776 178138075 /nfs/dbraw/zinc/13/80/75/178138075.db2.gz IPGPLGDTNKQOBG-SNVBAGLBSA-N 1 2 235.287 1.643 20 0 BDADLO Cc1noc(CNC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000120475373 178140649 /nfs/dbraw/zinc/14/06/49/178140649.db2.gz MVMYSGLTBNXTFO-UHFFFAOYSA-N 1 2 247.258 1.403 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCCOC2)cc[nH+]1 ZINC000179827403 178141834 /nfs/dbraw/zinc/14/18/34/178141834.db2.gz UBJBTODHFJOVNG-NSHDSACASA-N 1 2 235.287 1.691 20 0 BDADLO Cc1cc(NC(=O)N[C@@]2(C)CCOC2)cc[nH+]1 ZINC000119949003 178142136 /nfs/dbraw/zinc/14/21/36/178142136.db2.gz BMQJVDURKFHGKT-LBPRGKRZSA-N 1 2 235.287 1.691 20 0 BDADLO CC(C)[C@H](NC(=O)c1cc[nH]c1)c1[nH]cc[nH+]1 ZINC000338881954 187328159 /nfs/dbraw/zinc/32/81/59/187328159.db2.gz XDJANGKAHVSJSA-JTQLQIEISA-N 1 2 232.287 1.865 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000277515220 178142531 /nfs/dbraw/zinc/14/25/31/178142531.db2.gz QKNBIMKUASBFQT-SKDRFNHKSA-N 1 2 249.314 1.937 20 0 BDADLO C[C@@H](C[N@@H+]1CC[C@@H](C)[C@@H](F)C1)S(C)(=O)=O ZINC000649416340 398216135 /nfs/dbraw/zinc/21/61/35/398216135.db2.gz NBBNSHISNLCSFD-UTLUCORTSA-N 1 2 237.340 1.099 20 0 BDADLO C[C@@H](C[N@H+]1CC[C@@H](C)[C@@H](F)C1)S(C)(=O)=O ZINC000649416340 398216138 /nfs/dbraw/zinc/21/61/38/398216138.db2.gz NBBNSHISNLCSFD-UTLUCORTSA-N 1 2 237.340 1.099 20 0 BDADLO CCc1cc(N2CCN(CC)C(=O)C2)nc(C)[nH+]1 ZINC000273326466 538926940 /nfs/dbraw/zinc/92/69/40/538926940.db2.gz QGSQTZWHRDJSLP-UHFFFAOYSA-N 1 2 248.330 1.016 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CCCO2)cc[nH+]1 ZINC000154368005 178146425 /nfs/dbraw/zinc/14/64/25/178146425.db2.gz OVJFCUVFWZWKLL-GFCCVEGCSA-N 1 2 220.272 1.898 20 0 BDADLO CCc1nc(N2C[C@@H](O)C[C@@H]2C)cc(C)[nH+]1 ZINC000343212139 365573500 /nfs/dbraw/zinc/57/35/00/365573500.db2.gz BGCCOPSLPNAWIX-UWVGGRQHSA-N 1 2 221.304 1.307 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CCC(=O)NC2)cc[nH+]1 ZINC000281477079 178146759 /nfs/dbraw/zinc/14/67/59/178146759.db2.gz VCDAPPRFVVEABS-ZDUSSCGKSA-N 1 2 247.298 1.245 20 0 BDADLO FC(F)O[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000649420051 398218531 /nfs/dbraw/zinc/21/85/31/398218531.db2.gz HNYUEJQNSZJWDU-SSDOTTSWSA-N 1 2 249.286 1.742 20 0 BDADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000649420051 398218534 /nfs/dbraw/zinc/21/85/34/398218534.db2.gz HNYUEJQNSZJWDU-SSDOTTSWSA-N 1 2 249.286 1.742 20 0 BDADLO CC[C@](C)(O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000075228038 398218714 /nfs/dbraw/zinc/21/87/14/398218714.db2.gz UZWOVLAITYNAJM-ZDUSSCGKSA-N 1 2 247.298 1.225 20 0 BDADLO Cc1[nH]c(CNc2ccc(CCO)nc2)[nH+]c1C ZINC000576359802 365577271 /nfs/dbraw/zinc/57/72/71/365577271.db2.gz FSNWJRNYWLDUNY-UHFFFAOYSA-N 1 2 246.314 1.568 20 0 BDADLO Cc1cccc([C@@H](O)C[NH+]2CCOCC2)c1 ZINC000019784977 538927856 /nfs/dbraw/zinc/92/78/56/538927856.db2.gz LEJLBFDFXLGGJI-ZDUSSCGKSA-N 1 2 221.300 1.361 20 0 BDADLO Cc1cc(NCCCNC(=O)C(C)C)nc[nH+]1 ZINC000301842447 178160685 /nfs/dbraw/zinc/16/06/85/178160685.db2.gz ZZWDPWOLXSRLOH-UHFFFAOYSA-N 1 2 236.319 1.359 20 0 BDADLO Cc1cc(NCC[C@H](O)C(C)C)nc[nH+]1 ZINC000301400397 178162779 /nfs/dbraw/zinc/16/27/79/178162779.db2.gz BTFGKIFCFWJYRL-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NCC[C@H](C)[S@](C)=O)nc[nH+]1 ZINC000133132667 178163730 /nfs/dbraw/zinc/16/37/30/178163730.db2.gz RKPAGMHPOLRAQP-BJOHPYRUSA-N 1 2 227.333 1.354 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncncc1Cl ZINC000163600405 538929557 /nfs/dbraw/zinc/92/95/57/538929557.db2.gz FUTBNXOFBRAWCB-MRVPVSSYSA-N 1 2 237.694 1.827 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000429789906 398225184 /nfs/dbraw/zinc/22/51/84/398225184.db2.gz SBRZAQUGXSYNLX-QWRGUYRKSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000259442450 187330686 /nfs/dbraw/zinc/33/06/86/187330686.db2.gz NDUBBVPJZFQXOT-OLZOCXBDSA-N 1 2 249.310 1.357 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](O)C1 ZINC000259442450 187330688 /nfs/dbraw/zinc/33/06/88/187330688.db2.gz NDUBBVPJZFQXOT-OLZOCXBDSA-N 1 2 249.310 1.357 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C)CCC1 ZINC000426745552 398220586 /nfs/dbraw/zinc/22/05/86/398220586.db2.gz UYDGWIZXYGTLLZ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C)CCC1 ZINC000426745552 398220588 /nfs/dbraw/zinc/22/05/88/398220588.db2.gz UYDGWIZXYGTLLZ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cc(NCc2ccccc2N)nc[nH+]1 ZINC000050015429 178173162 /nfs/dbraw/zinc/17/31/62/178173162.db2.gz NONMDIIAPOZUKD-UHFFFAOYSA-N 1 2 214.272 1.979 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccno2)C[C@H](C)O1 ZINC000264731230 187331542 /nfs/dbraw/zinc/33/15/42/187331542.db2.gz PNDYXTMCKIPWHT-VHSXEESVSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccno2)C[C@H](C)O1 ZINC000264731230 187331544 /nfs/dbraw/zinc/33/15/44/187331544.db2.gz PNDYXTMCKIPWHT-VHSXEESVSA-N 1 2 210.277 1.674 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000329102065 178182927 /nfs/dbraw/zinc/18/29/27/178182927.db2.gz FKFGLKKPDOCUPC-YPMHNXCESA-N 1 2 249.314 1.535 20 0 BDADLO Cc1cc(N[C@H](C)c2nnc[nH]2)nc(C)[nH+]1 ZINC000133750330 178187210 /nfs/dbraw/zinc/18/72/10/178187210.db2.gz ARSQQMWTXMORFO-SSDOTTSWSA-N 1 2 218.264 1.385 20 0 BDADLO Cc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)ncn1 ZINC000329744079 178189734 /nfs/dbraw/zinc/18/97/34/178189734.db2.gz XPJRESIEISEMLH-VIFPVBQESA-N 1 2 229.287 1.478 20 0 BDADLO Cc1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000329744079 178189736 /nfs/dbraw/zinc/18/97/36/178189736.db2.gz XPJRESIEISEMLH-VIFPVBQESA-N 1 2 229.287 1.478 20 0 BDADLO Cc1csc([C@H](C)[NH2+]Cc2cn(C)nn2)n1 ZINC000070732515 361744548 /nfs/dbraw/zinc/74/45/48/361744548.db2.gz UDKWHNRTGOJMHY-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO O=C(N[C@H]1CCC[C@H]1F)c1ccc2[nH+]ccn2c1 ZINC000334195582 136223963 /nfs/dbraw/zinc/22/39/63/136223963.db2.gz KPPFHARSTCDXCU-MNOVXSKESA-N 1 2 247.273 1.955 20 0 BDADLO Oc1cc(F)cc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421397236 192329614 /nfs/dbraw/zinc/32/96/14/192329614.db2.gz CUIJJQQJEPVMIC-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1cc(F)cc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421397236 192329616 /nfs/dbraw/zinc/32/96/16/192329616.db2.gz CUIJJQQJEPVMIC-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO C[NH+]1CCC(Nc2[nH+]cccc2C(=O)[O-])CC1 ZINC000037248228 361779181 /nfs/dbraw/zinc/77/91/81/361779181.db2.gz XGWKKSNBIWLIDV-UHFFFAOYSA-N 1 2 235.287 1.286 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nncn2C)oc1C ZINC000282337698 178229152 /nfs/dbraw/zinc/22/91/52/178229152.db2.gz VCHXNNMWYDFOOO-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000280062745 538936470 /nfs/dbraw/zinc/93/64/70/538936470.db2.gz WXUWCJNNWGZOPU-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000280062745 538936471 /nfs/dbraw/zinc/93/64/71/538936471.db2.gz WXUWCJNNWGZOPU-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000279993880 538936705 /nfs/dbraw/zinc/93/67/05/538936705.db2.gz CUYWUPCSVXSZOY-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000279993880 538936707 /nfs/dbraw/zinc/93/67/07/538936707.db2.gz CUYWUPCSVXSZOY-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)[nH]n1 ZINC000362217122 178239389 /nfs/dbraw/zinc/23/93/89/178239389.db2.gz FIUGUSUYHIKXTQ-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)[nH]n1 ZINC000362217122 178239394 /nfs/dbraw/zinc/23/93/94/178239394.db2.gz FIUGUSUYHIKXTQ-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n[nH]1 ZINC000362217122 178239397 /nfs/dbraw/zinc/23/93/97/178239397.db2.gz FIUGUSUYHIKXTQ-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n[nH]1 ZINC000362217122 178239400 /nfs/dbraw/zinc/23/94/00/178239400.db2.gz FIUGUSUYHIKXTQ-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)[nH]n1 ZINC000362217122 178239401 /nfs/dbraw/zinc/23/94/01/178239401.db2.gz FIUGUSUYHIKXTQ-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)[nH]n1 ZINC000362217122 178239405 /nfs/dbraw/zinc/23/94/05/178239405.db2.gz FIUGUSUYHIKXTQ-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2)CC[NH+]1C ZINC000162017246 349524211 /nfs/dbraw/zinc/52/42/11/349524211.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 1 2 236.363 1.298 20 0 BDADLO C[C@@H]1CC[C@@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000629941198 361784772 /nfs/dbraw/zinc/78/47/72/361784772.db2.gz FGMYPBJYECTZHH-ZYHUDNBSSA-N 1 2 231.303 1.884 20 0 BDADLO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccn[nH]2)c(C)o1 ZINC000266185911 178242655 /nfs/dbraw/zinc/24/26/55/178242655.db2.gz WWUHECLQCJEIRS-ZDUSSCGKSA-N 1 2 249.314 1.617 20 0 BDADLO C=CC(=O)NCCC(=O)Nc1cc[nH+]cc1C ZINC000269572656 187334003 /nfs/dbraw/zinc/33/40/03/187334003.db2.gz ULSAWFDSVVENKF-UHFFFAOYSA-N 1 2 233.271 1.021 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnccc2C)[C@H](C)C1 ZINC000269621737 187334268 /nfs/dbraw/zinc/33/42/68/187334268.db2.gz NOMHXWTXWXOFFN-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnccc2C)[C@H](C)C1 ZINC000269621737 187334270 /nfs/dbraw/zinc/33/42/70/187334270.db2.gz NOMHXWTXWXOFFN-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cc(N2CC[S@](=O)CC[C@H]2C)nc[nH+]1 ZINC000432860178 398239106 /nfs/dbraw/zinc/23/91/06/398239106.db2.gz QXCKLKZCZBBEGV-QLJPJBMISA-N 1 2 239.344 1.132 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(N)=O ZINC000285636418 538941833 /nfs/dbraw/zinc/94/18/33/538941833.db2.gz KZSPQUGKOSMCJC-IMTBSYHQSA-N 1 2 243.257 1.274 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc[nH]1 ZINC000576528879 365619293 /nfs/dbraw/zinc/61/92/93/365619293.db2.gz MIBYVQHDPIUXHO-JTQLQIEISA-N 1 2 246.314 1.575 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc[nH]1 ZINC000576528879 365619299 /nfs/dbraw/zinc/61/92/99/365619299.db2.gz MIBYVQHDPIUXHO-JTQLQIEISA-N 1 2 246.314 1.575 20 0 BDADLO Cc1cc2[nH+]cn(CC(=O)N(C)C)c2cc1C ZINC000130220345 178305723 /nfs/dbraw/zinc/30/57/23/178305723.db2.gz ADANFZQCIVTYCM-UHFFFAOYSA-N 1 2 231.299 1.741 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2ccco2)[nH+]1 ZINC000576591366 365633141 /nfs/dbraw/zinc/63/31/41/365633141.db2.gz JLILDGHDRJVFKX-UHFFFAOYSA-N 1 2 247.298 1.905 20 0 BDADLO C[C@@H]1OCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000336778961 398246503 /nfs/dbraw/zinc/24/65/03/398246503.db2.gz MVKWEHONMGSATK-CBAPKCEASA-N 1 2 223.276 1.214 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](F)C1 ZINC000576641714 365647303 /nfs/dbraw/zinc/64/73/03/365647303.db2.gz PVFQPJZNRIJXFP-IUCAKERBSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](F)C1 ZINC000576641714 365647309 /nfs/dbraw/zinc/64/73/09/365647309.db2.gz PVFQPJZNRIJXFP-IUCAKERBSA-N 1 2 225.267 1.349 20 0 BDADLO CC[C@H](C)[C@@H](C[NH+]1CCS(=O)CC1)OC ZINC000602465905 349538983 /nfs/dbraw/zinc/53/89/83/349538983.db2.gz RXYDLOSBZLYFNI-WDEREUQCSA-N 1 2 233.377 1.112 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCC1CC1 ZINC000291297210 538947555 /nfs/dbraw/zinc/94/75/55/538947555.db2.gz RYXFTJAIPXQAMF-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291344770 538947655 /nfs/dbraw/zinc/94/76/55/538947655.db2.gz WXZFNDQURRFCPM-VHSXEESVSA-N 1 2 249.314 1.042 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000290894023 538946628 /nfs/dbraw/zinc/94/66/28/538946628.db2.gz UHJFQIRHOKZTPY-UWVGGRQHSA-N 1 2 238.335 1.654 20 0 BDADLO Cc1ncccc1C(=O)NCc1c[nH+]cn1C ZINC000291358688 538947507 /nfs/dbraw/zinc/94/75/07/538947507.db2.gz YAZUIMGHYGYUQO-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CCCCC1 ZINC000291432349 538948066 /nfs/dbraw/zinc/94/80/66/538948066.db2.gz LMYCZHJCYIDMQR-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000602488077 349569364 /nfs/dbraw/zinc/56/93/64/349569364.db2.gz ZLZRQCVXSBHFMY-ZYHUDNBSSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000602488077 349569368 /nfs/dbraw/zinc/56/93/68/349569368.db2.gz ZLZRQCVXSBHFMY-ZYHUDNBSSA-N 1 2 243.347 1.685 20 0 BDADLO CCCNC(=O)CC[NH2+][C@H](C)c1cn[nH]c1C ZINC000180187585 538957504 /nfs/dbraw/zinc/95/75/04/538957504.db2.gz WHXXBBPULOAICO-SECBINFHSA-N 1 2 238.335 1.285 20 0 BDADLO CCc1ncsc1C(=O)N1CC[NH+](C)CC1 ZINC000269717284 187335165 /nfs/dbraw/zinc/33/51/65/187335165.db2.gz FEBZNUIBSDCQLG-UHFFFAOYSA-N 1 2 239.344 1.093 20 0 BDADLO CCC(CC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279136929 168377749 /nfs/dbraw/zinc/37/77/49/168377749.db2.gz FQYVBWRKOMTZMH-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO COC(=O)C(C)(C)N(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600117629 342674017 /nfs/dbraw/zinc/67/40/17/342674017.db2.gz VXZNMQXUIVTLSO-UHFFFAOYSA-N 1 2 239.319 1.410 20 0 BDADLO Cc1c[nH]c(CN(C)CC(=O)OC(C)(C)C)[nH+]1 ZINC000600114988 342672438 /nfs/dbraw/zinc/67/24/38/342672438.db2.gz GBNNSWMABGGMIH-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000600200865 342699124 /nfs/dbraw/zinc/69/91/24/342699124.db2.gz ZJVGAVXWMKTQDN-UHFFFAOYSA-N 1 2 246.257 1.936 20 0 BDADLO CCC(CC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047621035 168381730 /nfs/dbraw/zinc/38/17/30/168381730.db2.gz AECHFWPWQHKYNB-SNVBAGLBSA-N 1 2 238.335 1.759 20 0 BDADLO CC1(CC(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000348734474 136235686 /nfs/dbraw/zinc/23/56/86/136235686.db2.gz JMGCHJAOQOKNKL-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CC1(CC(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000348734474 136235687 /nfs/dbraw/zinc/23/56/87/136235687.db2.gz JMGCHJAOQOKNKL-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccno2)n1 ZINC000231885732 342741570 /nfs/dbraw/zinc/74/15/70/342741570.db2.gz MROLPWGLSOLGEI-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2ccno2)nn1 ZINC000231881791 342742899 /nfs/dbraw/zinc/74/28/99/342742899.db2.gz MWVJNLMZICTSQB-UHFFFAOYSA-N 1 2 235.291 1.311 20 0 BDADLO Cc1nccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000605274371 342733896 /nfs/dbraw/zinc/73/38/96/342733896.db2.gz CGFIXPVCEWEMED-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1cncnc1 ZINC000183748060 538967592 /nfs/dbraw/zinc/96/75/92/538967592.db2.gz GABBXQZMZHUVTF-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1cncnc1 ZINC000183748060 538967594 /nfs/dbraw/zinc/96/75/94/538967594.db2.gz GABBXQZMZHUVTF-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC1CSC1 ZINC000616397060 342776963 /nfs/dbraw/zinc/77/69/63/342776963.db2.gz XCCIXPVNTVBCMN-UHFFFAOYSA-N 1 2 239.344 1.212 20 0 BDADLO CCc1cc(N[C@H](C)Cn2cccn2)nc[nH+]1 ZINC000042541566 342777285 /nfs/dbraw/zinc/77/72/85/342777285.db2.gz BPKBRLLULIZHJC-SNVBAGLBSA-N 1 2 231.303 1.736 20 0 BDADLO C[C@@]1(CNC(=O)CCc2[nH]cc[nH+]2)CC1(F)F ZINC000618595771 342797337 /nfs/dbraw/zinc/79/73/37/342797337.db2.gz HRONDQOVMZPCQA-JTQLQIEISA-N 1 2 243.257 1.504 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCOC2)o1 ZINC000106885921 398286590 /nfs/dbraw/zinc/28/65/90/398286590.db2.gz IIUZUTQTGJFDMP-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCOC2)o1 ZINC000106885921 398286592 /nfs/dbraw/zinc/28/65/92/398286592.db2.gz IIUZUTQTGJFDMP-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000624666952 342813878 /nfs/dbraw/zinc/81/38/78/342813878.db2.gz YCKLOKDSQZCKPI-PHIMTYICSA-N 1 2 248.330 1.260 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000624666952 342813880 /nfs/dbraw/zinc/81/38/80/342813880.db2.gz YCKLOKDSQZCKPI-PHIMTYICSA-N 1 2 248.330 1.260 20 0 BDADLO COCCn1cc(-c2c[nH+]c(C)n2C)cn1 ZINC000630054465 361919594 /nfs/dbraw/zinc/91/95/94/361919594.db2.gz UERLOHDLZJIMGU-UHFFFAOYSA-N 1 2 220.276 1.238 20 0 BDADLO Cn1nccc1-c1c[nH+]c2n1CCCC2 ZINC000630052256 361919683 /nfs/dbraw/zinc/91/96/83/361919683.db2.gz TVPZUGJZDBQGEL-UHFFFAOYSA-N 1 2 202.261 1.620 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cncs1 ZINC000335464439 398289589 /nfs/dbraw/zinc/28/95/89/398289589.db2.gz CDPKLEDKUXNKSW-VFZGTOFNSA-N 1 2 244.385 1.486 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cncs1 ZINC000335464439 398289592 /nfs/dbraw/zinc/28/95/92/398289592.db2.gz CDPKLEDKUXNKSW-VFZGTOFNSA-N 1 2 244.385 1.486 20 0 BDADLO CC[N@@H+]1CC(=O)NC12C[C@@H](C)C[C@H](C)C2 ZINC000336461749 342807081 /nfs/dbraw/zinc/80/70/81/342807081.db2.gz IWEKKOYOIJCILY-UWVGGRQHSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+]1CC(=O)NC12C[C@@H](C)C[C@H](C)C2 ZINC000336461749 342807082 /nfs/dbraw/zinc/80/70/82/342807082.db2.gz IWEKKOYOIJCILY-UWVGGRQHSA-N 1 2 210.321 1.591 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ccccn1 ZINC000380134814 538985905 /nfs/dbraw/zinc/98/59/05/538985905.db2.gz UJBCHTNYSXPJJS-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccccn1 ZINC000380134814 538985906 /nfs/dbraw/zinc/98/59/06/538985906.db2.gz UJBCHTNYSXPJJS-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CCO[C@H]1C[C@@](CO)([NH2+]CC(F)F)C1(C)C ZINC000189980871 538986544 /nfs/dbraw/zinc/98/65/44/538986544.db2.gz HZUZKEIMTVLBGJ-KWQFWETISA-N 1 2 237.290 1.407 20 0 BDADLO COC[C@]1(C)CN(c2cccc[nH+]2)CCO1 ZINC000624774089 342827343 /nfs/dbraw/zinc/82/73/43/342827343.db2.gz KTGFLIGEACWKOX-LBPRGKRZSA-N 1 2 222.288 1.323 20 0 BDADLO CCOC[C@H](C)Nc1cc(CC)[nH+]cn1 ZINC000044725901 538990374 /nfs/dbraw/zinc/99/03/74/538990374.db2.gz NDJOGEGRWZPRSN-VIFPVBQESA-N 1 2 209.293 1.876 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cccs1 ZINC000188856971 538980115 /nfs/dbraw/zinc/98/01/15/538980115.db2.gz YDBGVIQKXHHNQC-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cccs1 ZINC000188856971 538980117 /nfs/dbraw/zinc/98/01/17/538980117.db2.gz YDBGVIQKXHHNQC-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335623298 136240455 /nfs/dbraw/zinc/24/04/55/136240455.db2.gz YTQQXZMIDKZRSC-PSASIEDQSA-N 1 2 239.344 1.401 20 0 BDADLO C/C=C\CNC(=O)NCCNc1cccc[nH+]1 ZINC000624826209 342833122 /nfs/dbraw/zinc/83/31/22/342833122.db2.gz UOZUYCMFQFKIRZ-IHWYPQMZSA-N 1 2 234.303 1.369 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000193401620 539005742 /nfs/dbraw/zinc/00/57/42/539005742.db2.gz RNGDZVNJOCXVOK-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000193401620 539005744 /nfs/dbraw/zinc/00/57/44/539005744.db2.gz RNGDZVNJOCXVOK-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000193401594 539005881 /nfs/dbraw/zinc/00/58/81/539005881.db2.gz RNGDZVNJOCXVOK-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000193401594 539005883 /nfs/dbraw/zinc/00/58/83/539005883.db2.gz RNGDZVNJOCXVOK-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C12CC(C1)C2 ZINC000624938749 342838540 /nfs/dbraw/zinc/83/85/40/342838540.db2.gz WRHAIJDVKCJORI-UHFFFAOYSA-N 1 2 245.326 1.916 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000193724758 539007522 /nfs/dbraw/zinc/00/75/22/539007522.db2.gz ITBFWUJJKMGVBM-MNOVXSKESA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000193724758 539007523 /nfs/dbraw/zinc/00/75/23/539007523.db2.gz ITBFWUJJKMGVBM-MNOVXSKESA-N 1 2 235.331 1.847 20 0 BDADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C12CC(C1)C2 ZINC000624945353 342839020 /nfs/dbraw/zinc/83/90/20/342839020.db2.gz GGLLGNVGAWDDGM-UHFFFAOYSA-N 1 2 245.326 1.847 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000381259156 538997301 /nfs/dbraw/zinc/99/73/01/538997301.db2.gz RMUGWMJJKCQALK-UWVGGRQHSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000381259156 538997303 /nfs/dbraw/zinc/99/73/03/538997303.db2.gz RMUGWMJJKCQALK-UWVGGRQHSA-N 1 2 241.360 1.583 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC=CCC1 ZINC000192939732 538999313 /nfs/dbraw/zinc/99/93/13/538999313.db2.gz WQKMFPWVSIEUTJ-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC=CCC1 ZINC000192939732 538999314 /nfs/dbraw/zinc/99/93/14/538999314.db2.gz WQKMFPWVSIEUTJ-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3C[C@@H]3C)cn21 ZINC000068571555 342836968 /nfs/dbraw/zinc/83/69/68/342836968.db2.gz DURFVCPSUYSXCK-JOYOIKCWSA-N 1 2 243.310 1.915 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cnoc1)CC2 ZINC000625000429 342841940 /nfs/dbraw/zinc/84/19/40/342841940.db2.gz QJDFLGFPXXDDGK-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc(C)[nH+]cn2)o1 ZINC000390655918 539027096 /nfs/dbraw/zinc/02/70/96/539027096.db2.gz QQJXWHLVACETNI-SSDOTTSWSA-N 1 2 219.248 1.650 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1nc(N)c2ccccc2[nH+]1 ZINC000649502235 398297414 /nfs/dbraw/zinc/29/74/14/398297414.db2.gz VGULOIHJWAZNDV-LDYMZIIASA-N 1 2 244.298 1.002 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccon2)cc[nH+]1 ZINC000389645271 539016724 /nfs/dbraw/zinc/01/67/24/539016724.db2.gz SKOGYJAAXVVXAM-ZETCQYMHSA-N 1 2 204.233 1.368 20 0 BDADLO Cc1cc(NC(=O)NC[C@@](C)(O)C2CC2)cc[nH+]1 ZINC000348842708 136241948 /nfs/dbraw/zinc/24/19/48/136241948.db2.gz ADDLYVLCQMQQGD-CYBMUJFWSA-N 1 2 249.314 1.094 20 0 BDADLO O[C@@H]1CCCC[C@H]1c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755133 361993434 /nfs/dbraw/zinc/99/34/34/361993434.db2.gz TUXJPTYAWAZBQZ-GXSJLCMTSA-N 1 2 247.302 1.068 20 0 BDADLO COc1ncncc1C[NH+]1CC2(C1)CCCC2 ZINC000648036862 398304664 /nfs/dbraw/zinc/30/46/64/398304664.db2.gz ZYVSRWLVJDMXQG-UHFFFAOYSA-N 1 2 233.315 1.861 20 0 BDADLO CC[C@H](OC)C(=O)NCCCCn1cc[nH+]c1 ZINC000519471098 398305150 /nfs/dbraw/zinc/30/51/50/398305150.db2.gz PWAPPLLOOQXKEY-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO C[C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000625164624 342898753 /nfs/dbraw/zinc/89/87/53/342898753.db2.gz QAWDTJDGAHCJCM-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO O=C(c1cc(F)c[nH]1)N1CCc2[nH]c[nH+]c2C1 ZINC000627372782 398320019 /nfs/dbraw/zinc/32/00/19/398320019.db2.gz WVHZFUVZPVMWBS-UHFFFAOYSA-N 1 2 234.234 1.075 20 0 BDADLO O=C(c1cc(F)c[nH]1)N1CCc2[nH+]c[nH]c2C1 ZINC000627372782 398320020 /nfs/dbraw/zinc/32/00/20/398320020.db2.gz WVHZFUVZPVMWBS-UHFFFAOYSA-N 1 2 234.234 1.075 20 0 BDADLO Cc1cc(N(C)CCO)[nH+]c2ccccc12 ZINC000380786280 398320725 /nfs/dbraw/zinc/32/07/25/398320725.db2.gz CYKLBLUCUYJQBE-UHFFFAOYSA-N 1 2 216.284 1.972 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000625187185 342904931 /nfs/dbraw/zinc/90/49/31/342904931.db2.gz YWEGBKJNWGMIGL-MRVPVSSYSA-N 1 2 239.344 1.230 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000625187185 342904932 /nfs/dbraw/zinc/90/49/32/342904932.db2.gz YWEGBKJNWGMIGL-MRVPVSSYSA-N 1 2 239.344 1.230 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335817125 534926479 /nfs/dbraw/zinc/92/64/79/534926479.db2.gz LSKSVPGXZZZCQH-QWRGUYRKSA-N 1 2 235.331 1.606 20 0 BDADLO CCc1ccc(C(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000351516478 136246589 /nfs/dbraw/zinc/24/65/89/136246589.db2.gz XTTBCWNHUMYYRZ-UHFFFAOYSA-N 1 2 247.342 1.340 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493103397 529411888 /nfs/dbraw/zinc/41/18/88/529411888.db2.gz HCRRJZDHZDPMSI-BXXZLRJFSA-N 1 2 249.314 1.449 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493103400 529411972 /nfs/dbraw/zinc/41/19/72/529411972.db2.gz HCRRJZDHZDPMSI-NRFYAWERSA-N 1 2 249.314 1.449 20 0 BDADLO CCCCc1cc(NC[C@](C)(O)CC)nc[nH+]1 ZINC000631093547 342923935 /nfs/dbraw/zinc/92/39/35/342923935.db2.gz YHBGVXGLIUQRIP-CYBMUJFWSA-N 1 2 237.347 1.814 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351969087 536627886 /nfs/dbraw/zinc/62/78/86/536627886.db2.gz URABVVACHVYPFA-GARJFASQSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351969087 536627895 /nfs/dbraw/zinc/62/78/95/536627895.db2.gz URABVVACHVYPFA-GARJFASQSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCCSC ZINC000037085157 342918145 /nfs/dbraw/zinc/91/81/45/342918145.db2.gz FHEQARRJFFSNQU-UHFFFAOYSA-N 1 2 205.323 1.281 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnn1CC ZINC000505608099 529414089 /nfs/dbraw/zinc/41/40/89/529414089.db2.gz HDCGGLPYFAKHDJ-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnn1CC ZINC000505608099 529414092 /nfs/dbraw/zinc/41/40/92/529414092.db2.gz HDCGGLPYFAKHDJ-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(C)CC1 ZINC000151606227 323020008 /nfs/dbraw/zinc/02/00/08/323020008.db2.gz XPQFNUIRQYLQEV-UHFFFAOYSA-N 1 2 206.245 1.829 20 0 BDADLO CC[C@H]1CCCC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000383826391 342931118 /nfs/dbraw/zinc/93/11/18/342931118.db2.gz RUBDFCCCLKSSHA-UWVGGRQHSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@H]1CCCC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000383826391 342931121 /nfs/dbraw/zinc/93/11/21/342931121.db2.gz RUBDFCCCLKSSHA-UWVGGRQHSA-N 1 2 235.335 1.973 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2noc(C)n2)CC[C@@H]1C ZINC000351625842 136248699 /nfs/dbraw/zinc/24/86/99/136248699.db2.gz CHIRMRYXMKDWLX-IQJOONFLSA-N 1 2 239.319 1.796 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2noc(C)n2)CC[C@@H]1C ZINC000351625842 136248700 /nfs/dbraw/zinc/24/87/00/136248700.db2.gz CHIRMRYXMKDWLX-IQJOONFLSA-N 1 2 239.319 1.796 20 0 BDADLO O[C@@H]1C[C@H](O)CN(c2[nH+]ccc3ccccc32)C1 ZINC000624012761 346880706 /nfs/dbraw/zinc/88/07/06/346880706.db2.gz HZMRWZIDYBHOII-TXEJJXNPSA-N 1 2 244.294 1.167 20 0 BDADLO Cc1ccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000634589462 342935627 /nfs/dbraw/zinc/93/56/27/342935627.db2.gz ZBKUFMSTGWRFLJ-LBPRGKRZSA-N 1 2 243.310 1.303 20 0 BDADLO CC[C@@H](C)[C@H](C[NH2+][C@H](C)C(=O)OC)OC ZINC000602644826 349656724 /nfs/dbraw/zinc/65/67/24/349656724.db2.gz OLORGBGFKXLMAO-BBBLOLIVSA-N 1 2 217.309 1.199 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H](OC)C1CCCCC1 ZINC000602646350 349657570 /nfs/dbraw/zinc/65/75/70/349657570.db2.gz WIEUKWMVBZOZNQ-PWSUYJOCSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]1CCc2[nH]n(CC[NH+](C)C)c(=O)c2C1 ZINC000634589666 342936784 /nfs/dbraw/zinc/93/67/84/342936784.db2.gz DVIQCZNXAKSWES-VHSXEESVSA-N 1 2 223.320 1.182 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccn2C)[C@H](C)C1 ZINC000271165391 187336088 /nfs/dbraw/zinc/33/60/88/187336088.db2.gz FLTRAECFWTZELA-LLVKDONJSA-N 1 2 235.331 1.078 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccn2C)[C@H](C)C1 ZINC000271165391 187336090 /nfs/dbraw/zinc/33/60/90/187336090.db2.gz FLTRAECFWTZELA-LLVKDONJSA-N 1 2 235.331 1.078 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)[C@H](C)[C@@H](C)O1 ZINC000351652122 136249021 /nfs/dbraw/zinc/24/90/21/136249021.db2.gz RQNYSMUXGCVEHA-OPRDCNLKSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)[C@H](C)[C@@H](C)O1 ZINC000351652122 136249022 /nfs/dbraw/zinc/24/90/22/136249022.db2.gz RQNYSMUXGCVEHA-OPRDCNLKSA-N 1 2 210.277 1.672 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000351628291 136249046 /nfs/dbraw/zinc/24/90/46/136249046.db2.gz JBHNDUJRRJQTQL-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000351628291 136249047 /nfs/dbraw/zinc/24/90/47/136249047.db2.gz JBHNDUJRRJQTQL-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)s1 ZINC000123427404 398338124 /nfs/dbraw/zinc/33/81/24/398338124.db2.gz QGYJJRVODXTASO-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)s1 ZINC000123427404 398338125 /nfs/dbraw/zinc/33/81/25/398338125.db2.gz QGYJJRVODXTASO-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493495756 529456814 /nfs/dbraw/zinc/45/68/14/529456814.db2.gz OCXJJHXGEKTOBW-ADRPCIBZSA-N 1 2 233.315 1.831 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000111200259 398331990 /nfs/dbraw/zinc/33/19/90/398331990.db2.gz RHDJPKJDPLXNOJ-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CCc1[nH]nc(NCc2c[nH+]cn2CC)c1C ZINC000417938614 529460282 /nfs/dbraw/zinc/46/02/82/529460282.db2.gz USOYOOCBKJREKL-UHFFFAOYSA-N 1 2 233.319 1.531 20 0 BDADLO O=C(c1ccc(F)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000523699931 259332018 /nfs/dbraw/zinc/33/20/18/259332018.db2.gz AAUZBLDSQJYLPF-UHFFFAOYSA-N 1 2 245.257 1.719 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000602682839 349675263 /nfs/dbraw/zinc/67/52/63/349675263.db2.gz SIYBRCQKPPPJTD-SDDRHHMPSA-N 1 2 243.347 1.874 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000635643927 398344080 /nfs/dbraw/zinc/34/40/80/398344080.db2.gz BQKIDHYOIKTVDC-NXEZZACHSA-N 1 2 233.315 1.962 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000635643927 398344081 /nfs/dbraw/zinc/34/40/81/398344081.db2.gz BQKIDHYOIKTVDC-NXEZZACHSA-N 1 2 233.315 1.962 20 0 BDADLO CC[C@@H](C)[C@H](C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679717 349672614 /nfs/dbraw/zinc/67/26/14/349672614.db2.gz ILFATQURXIMVDR-WOPDTQHZSA-N 1 2 245.363 1.977 20 0 BDADLO Cc1c[nH+]c(CCSCC(N)=O)c(C)c1 ZINC000576822977 365691341 /nfs/dbraw/zinc/69/13/41/365691341.db2.gz LMEATCQIPXVBML-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC[C@@H](CSC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763518 529528496 /nfs/dbraw/zinc/52/84/96/529528496.db2.gz JJDKKSODYWISHD-WBSSQXGSSA-N 1 2 239.344 1.681 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC1CCC1 ZINC000492493398 529554310 /nfs/dbraw/zinc/55/43/10/529554310.db2.gz OHCGYZVKQPKTBH-VOTSOKGWSA-N 1 2 233.315 1.833 20 0 BDADLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000602715860 349706211 /nfs/dbraw/zinc/70/62/11/349706211.db2.gz DMYFPPCBDLQKEB-KYZUINATSA-N 1 2 224.260 1.024 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000351845267 136257115 /nfs/dbraw/zinc/25/71/15/136257115.db2.gz RKQVOSXRRIXJTO-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ncc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000351845267 136257116 /nfs/dbraw/zinc/25/71/16/136257116.db2.gz RKQVOSXRRIXJTO-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000355221586 187211294 /nfs/dbraw/zinc/21/12/94/187211294.db2.gz DRVDIVPTJWGSBH-VXGBXAGGSA-N 1 2 235.331 1.778 20 0 BDADLO CCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076048867 344021241 /nfs/dbraw/zinc/02/12/41/344021241.db2.gz ARSURKPWWAOYTE-VIFPVBQESA-N 1 2 222.292 1.319 20 0 BDADLO COC(=O)c1cc(C[NH2+]C2(C)COC2)oc1C ZINC000602742506 349710037 /nfs/dbraw/zinc/71/00/37/349710037.db2.gz ZSGOZSDGNZPFSD-UHFFFAOYSA-N 1 2 239.271 1.253 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C\C1CC1 ZINC000493081385 529570303 /nfs/dbraw/zinc/57/03/03/529570303.db2.gz GYBZUJKTDGQKSY-WAYWQWQTSA-N 1 2 219.288 1.485 20 0 BDADLO CCOC(=O)C1([N@H+](C)CC(C)=O)CCCCC1 ZINC000602795253 349736484 /nfs/dbraw/zinc/73/64/84/349736484.db2.gz KTEFEUAAELCASX-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)C1([N@@H+](C)CC(C)=O)CCCCC1 ZINC000602795253 349736489 /nfs/dbraw/zinc/73/64/89/349736489.db2.gz KTEFEUAAELCASX-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000602798904 349739967 /nfs/dbraw/zinc/73/99/67/349739967.db2.gz YMDWAKPMTXAQDF-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2ccc(F)cc2C1 ZINC000602798904 349739970 /nfs/dbraw/zinc/73/99/70/349739970.db2.gz YMDWAKPMTXAQDF-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC[C@@]1(C)CC ZINC000602798563 349740164 /nfs/dbraw/zinc/74/01/64/349740164.db2.gz LFEQEURGYGDJGM-GFCCVEGCSA-N 1 2 225.336 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC[C@@]1(C)CC ZINC000602798563 349740165 /nfs/dbraw/zinc/74/01/65/349740165.db2.gz LFEQEURGYGDJGM-GFCCVEGCSA-N 1 2 225.336 1.290 20 0 BDADLO CCN(C#N)CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000602801721 349741902 /nfs/dbraw/zinc/74/19/02/349741902.db2.gz MQNUKRQYRSMQEB-GHMZBOCLSA-N 1 2 213.300 1.469 20 0 BDADLO CCN(C#N)CC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000602801721 349741904 /nfs/dbraw/zinc/74/19/04/349741904.db2.gz MQNUKRQYRSMQEB-GHMZBOCLSA-N 1 2 213.300 1.469 20 0 BDADLO CC(C)c1nc(N(C)Cc2ccnn2C)cc[nH+]1 ZINC000359894887 187216480 /nfs/dbraw/zinc/21/64/80/187216480.db2.gz DHCGNRSIPGNPIY-UHFFFAOYSA-N 1 2 245.330 1.970 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000602773855 349727137 /nfs/dbraw/zinc/72/71/37/349727137.db2.gz XAWWWXXHSIGOLM-VIFPVBQESA-N 1 2 229.320 1.343 20 0 BDADLO COCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000162486198 349729586 /nfs/dbraw/zinc/72/95/86/349729586.db2.gz BLCVBYMGJJLUFL-LBPRGKRZSA-N 1 2 224.304 1.045 20 0 BDADLO COCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000162486198 349729590 /nfs/dbraw/zinc/72/95/90/349729590.db2.gz BLCVBYMGJJLUFL-LBPRGKRZSA-N 1 2 224.304 1.045 20 0 BDADLO CCc1nocc1C[N@@H+](C)CCN(C#N)CC ZINC000602834044 349761271 /nfs/dbraw/zinc/76/12/71/349761271.db2.gz YVBJNBYMHAHQFE-UHFFFAOYSA-N 1 2 236.319 1.472 20 0 BDADLO CCc1nocc1C[N@H+](C)CCN(C#N)CC ZINC000602834044 349761273 /nfs/dbraw/zinc/76/12/73/349761273.db2.gz YVBJNBYMHAHQFE-UHFFFAOYSA-N 1 2 236.319 1.472 20 0 BDADLO O[C@@H]1COC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631293135 343016559 /nfs/dbraw/zinc/01/65/59/343016559.db2.gz APMPUZVKARGICF-VXGBXAGGSA-N 1 2 230.267 1.406 20 0 BDADLO CCC(CC)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634621689 343020446 /nfs/dbraw/zinc/02/04/46/343020446.db2.gz NETQMLPYMCRGHP-SNVBAGLBSA-N 1 2 223.320 1.230 20 0 BDADLO Cc1cc(N[C@H](C)C(=O)NC(C)C)nc[nH+]1 ZINC000162570537 349752291 /nfs/dbraw/zinc/75/22/91/349752291.db2.gz KYFYOCJMOQATSL-SECBINFHSA-N 1 2 222.292 1.110 20 0 BDADLO Cc1nc(N[C@@H](C)C(=O)NC(C)C)cc[nH+]1 ZINC000162570680 349752583 /nfs/dbraw/zinc/75/25/83/349752583.db2.gz DHCRAGLWUHKUBD-QMMMGPOBSA-N 1 2 222.292 1.110 20 0 BDADLO CC(C)c1nc(N2CC(n3cncn3)C2)cc[nH+]1 ZINC000367766396 187221503 /nfs/dbraw/zinc/22/15/03/187221503.db2.gz ZRXMEZLVYOAXMR-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H](C)C1(F)F ZINC000625648954 344025218 /nfs/dbraw/zinc/02/52/18/344025218.db2.gz KKASZXWNOFXHQZ-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H](C)C1(F)F ZINC000625648954 344025219 /nfs/dbraw/zinc/02/52/19/344025219.db2.gz KKASZXWNOFXHQZ-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000602841815 349780528 /nfs/dbraw/zinc/78/05/28/349780528.db2.gz VHFHZPCUQMBBGZ-CYBMUJFWSA-N 1 2 237.347 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000602841815 349780529 /nfs/dbraw/zinc/78/05/29/349780529.db2.gz VHFHZPCUQMBBGZ-CYBMUJFWSA-N 1 2 237.347 1.290 20 0 BDADLO Cc1noc(C2CN(c3cc[nH+]c(C)n3)C2)n1 ZINC000372962650 187222982 /nfs/dbraw/zinc/22/29/82/187222982.db2.gz BRKVNMLCOJCYFL-UHFFFAOYSA-N 1 2 231.259 1.080 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000602832920 349768467 /nfs/dbraw/zinc/76/84/67/349768467.db2.gz UDFQQVSMEUXBPP-YIZRAAEISA-N 1 2 238.287 1.862 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000602832920 349768470 /nfs/dbraw/zinc/76/84/70/349768470.db2.gz UDFQQVSMEUXBPP-YIZRAAEISA-N 1 2 238.287 1.862 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856828 349789375 /nfs/dbraw/zinc/78/93/75/349789375.db2.gz RWIRLKHXEHRJKJ-CYBMUJFWSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856828 349789379 /nfs/dbraw/zinc/78/93/79/349789379.db2.gz RWIRLKHXEHRJKJ-CYBMUJFWSA-N 1 2 248.326 1.824 20 0 BDADLO CC(=O)CCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375377108 187224804 /nfs/dbraw/zinc/22/48/04/187224804.db2.gz LUYAXMUJARHJRF-LLVKDONJSA-N 1 2 249.314 1.833 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000399874845 343052406 /nfs/dbraw/zinc/05/24/06/343052406.db2.gz CLQSFFNKHAJHCX-SNVBAGLBSA-N 1 2 248.282 1.021 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000399874845 343052407 /nfs/dbraw/zinc/05/24/07/343052407.db2.gz CLQSFFNKHAJHCX-SNVBAGLBSA-N 1 2 248.282 1.021 20 0 BDADLO Cc1nc(N2CC3(C2)CCCOC3)cc[nH+]1 ZINC000377144271 187226327 /nfs/dbraw/zinc/22/63/27/187226327.db2.gz ZVSVDYJEAJBCKG-UHFFFAOYSA-N 1 2 219.288 1.402 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC1(C)C ZINC000576838038 365701083 /nfs/dbraw/zinc/70/10/83/365701083.db2.gz SLKBVOTYJHBEDH-ONGXEEELSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC1(C)C ZINC000576838038 365701085 /nfs/dbraw/zinc/70/10/85/365701085.db2.gz SLKBVOTYJHBEDH-ONGXEEELSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1cc(N)nc(SCc2cn[nH]c2)[nH+]1 ZINC000336692103 187230790 /nfs/dbraw/zinc/23/07/90/187230790.db2.gz NAGMGPZWYUYZRM-UHFFFAOYSA-N 1 2 221.289 1.213 20 0 BDADLO Nc1[nH+]cnc(NCC[C@H]2CCOC2)c1Cl ZINC000236391412 343091715 /nfs/dbraw/zinc/09/17/15/343091715.db2.gz XTPPKRKTMDEILR-ZETCQYMHSA-N 1 2 242.710 1.551 20 0 BDADLO Nc1nc[nH+]c(NCC[C@H]2CCOC2)c1Cl ZINC000236391412 343091716 /nfs/dbraw/zinc/09/17/16/343091716.db2.gz XTPPKRKTMDEILR-ZETCQYMHSA-N 1 2 242.710 1.551 20 0 BDADLO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000449472340 259349432 /nfs/dbraw/zinc/34/94/32/259349432.db2.gz PHQSYLZLYWPJKS-SCZZXKLOSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000449472340 259349434 /nfs/dbraw/zinc/34/94/34/259349434.db2.gz PHQSYLZLYWPJKS-SCZZXKLOSA-N 1 2 245.273 1.623 20 0 BDADLO CC[C@H](NC(=O)NCc1[nH+]ccn1C)C(F)F ZINC000640807683 362057377 /nfs/dbraw/zinc/05/73/77/362057377.db2.gz NPCFYMVSXKRPFE-ZETCQYMHSA-N 1 2 246.261 1.263 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309962713 343114068 /nfs/dbraw/zinc/11/40/68/343114068.db2.gz MCAYKBUAVVFNMN-VHSXEESVSA-N 1 2 219.288 1.943 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351839193 187233246 /nfs/dbraw/zinc/23/32/46/187233246.db2.gz ZWLBAOLSQDKBNV-VHSXEESVSA-N 1 2 239.319 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351839193 187233248 /nfs/dbraw/zinc/23/32/48/187233248.db2.gz ZWLBAOLSQDKBNV-VHSXEESVSA-N 1 2 239.319 1.081 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000576877685 365711486 /nfs/dbraw/zinc/71/14/86/365711486.db2.gz GSLYFJYBJNAMTA-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(F)F ZINC000640995155 362107363 /nfs/dbraw/zinc/10/73/63/362107363.db2.gz GVQUPTDOZQSWNT-ZCFIWIBFSA-N 1 2 232.234 1.205 20 0 BDADLO Cc1cc(N[C@@H]2CCCCC[C@H]2O)nc[nH+]1 ZINC000130799828 343182347 /nfs/dbraw/zinc/18/23/47/343182347.db2.gz SOEJRTNIIYNQDF-GHMZBOCLSA-N 1 2 221.304 1.891 20 0 BDADLO COc1ncccc1C[NH2+]Cc1conc1C ZINC000294056033 187241812 /nfs/dbraw/zinc/24/18/12/187241812.db2.gz JQQXMNBPOVQDRM-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1nc(C[NH+]2CC(C3CC3)C2)[nH]c1C ZINC000628288400 346930174 /nfs/dbraw/zinc/93/01/74/346930174.db2.gz JOLRGBJYANHUEJ-UHFFFAOYSA-N 1 2 205.305 1.868 20 0 BDADLO Cc1[nH]c(CN2CC(C3CC3)C2)[nH+]c1C ZINC000628288400 346930179 /nfs/dbraw/zinc/93/01/79/346930179.db2.gz JOLRGBJYANHUEJ-UHFFFAOYSA-N 1 2 205.305 1.868 20 0 BDADLO NC(=O)c1cccc(C[NH2+]Cc2nccs2)c1 ZINC000070160758 136272477 /nfs/dbraw/zinc/27/24/77/136272477.db2.gz AFYFMBJGTHGCDO-UHFFFAOYSA-N 1 2 247.323 1.532 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000125390491 343173565 /nfs/dbraw/zinc/17/35/65/343173565.db2.gz AYLJCZMFLPCTDM-SFYZADRCSA-N 1 2 225.317 1.483 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)C[C@H](C)C1 ZINC000134806363 343195623 /nfs/dbraw/zinc/19/56/23/343195623.db2.gz QYFPMCSIUIHZGN-DTORHVGOSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)C[C@H](C)C1 ZINC000134806363 343195625 /nfs/dbraw/zinc/19/56/25/343195625.db2.gz QYFPMCSIUIHZGN-DTORHVGOSA-N 1 2 236.319 1.550 20 0 BDADLO COC(=O)C[N@H+](Cc1cnccn1)C1CCCC1 ZINC000157115547 343199771 /nfs/dbraw/zinc/19/97/71/343199771.db2.gz QOCBIRZLOTUFLG-UHFFFAOYSA-N 1 2 249.314 1.394 20 0 BDADLO COC(=O)C[N@@H+](Cc1cnccn1)C1CCCC1 ZINC000157115547 343199772 /nfs/dbraw/zinc/19/97/72/343199772.db2.gz QOCBIRZLOTUFLG-UHFFFAOYSA-N 1 2 249.314 1.394 20 0 BDADLO NC(=O)CC[NH2+]CC(F)(F)c1ccccc1 ZINC000161169184 343204624 /nfs/dbraw/zinc/20/46/24/343204624.db2.gz BMEXPNWMOUYXKG-UHFFFAOYSA-N 1 2 228.242 1.243 20 0 BDADLO C[N@H+](CCc1cnccn1)Cc1cnns1 ZINC000625288048 343221568 /nfs/dbraw/zinc/22/15/68/343221568.db2.gz YPONJWCKDCZFGB-UHFFFAOYSA-N 1 2 235.316 1.003 20 0 BDADLO C[N@@H+](CCc1cnccn1)Cc1cnns1 ZINC000625288048 343221570 /nfs/dbraw/zinc/22/15/70/343221570.db2.gz YPONJWCKDCZFGB-UHFFFAOYSA-N 1 2 235.316 1.003 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H](C)[C@H](C)C1 ZINC000134917229 343191600 /nfs/dbraw/zinc/19/16/00/343191600.db2.gz IKYGNHVIRPCNJP-HTQZYQBOSA-N 1 2 222.292 1.160 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H](C)[C@H](C)C1 ZINC000134917229 343191601 /nfs/dbraw/zinc/19/16/01/343191601.db2.gz IKYGNHVIRPCNJP-HTQZYQBOSA-N 1 2 222.292 1.160 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]1F ZINC000625314137 343231208 /nfs/dbraw/zinc/23/12/08/343231208.db2.gz MHBYZRLMJCGUMJ-MNOVXSKESA-N 1 2 244.354 1.829 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]1F ZINC000625314137 343231209 /nfs/dbraw/zinc/23/12/09/343231209.db2.gz MHBYZRLMJCGUMJ-MNOVXSKESA-N 1 2 244.354 1.829 20 0 BDADLO OC[C@@H]([NH2+]Cc1cnns1)c1ccsc1 ZINC000625328186 343234800 /nfs/dbraw/zinc/23/48/00/343234800.db2.gz LDUMBXXGDOZFDD-SECBINFHSA-N 1 2 241.341 1.423 20 0 BDADLO CCO[C@@H](C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000625356153 343247550 /nfs/dbraw/zinc/24/75/50/343247550.db2.gz PSOWGUMHAGZICD-GFCCVEGCSA-N 1 2 234.299 1.566 20 0 BDADLO CCO[C@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000625356164 343247599 /nfs/dbraw/zinc/24/75/99/343247599.db2.gz QKMCZODUBAMCPE-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000625356164 343247600 /nfs/dbraw/zinc/24/76/00/343247600.db2.gz QKMCZODUBAMCPE-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000625355839 343247621 /nfs/dbraw/zinc/24/76/21/343247621.db2.gz GRRVWOKIRAWOHL-GFCCVEGCSA-N 1 2 236.315 1.812 20 0 BDADLO Cc1nc(N2CCC[C@]2(C)CCCO)cc[nH+]1 ZINC000273286558 187337028 /nfs/dbraw/zinc/33/70/28/187337028.db2.gz JROGNDUOUWZJLL-CYBMUJFWSA-N 1 2 235.331 1.916 20 0 BDADLO CC1(C)C[N@H+](Cc2ccccn2)C[C@H](CO)O1 ZINC000163788693 136289991 /nfs/dbraw/zinc/28/99/91/136289991.db2.gz SLNNKQWCCZRNLH-GFCCVEGCSA-N 1 2 236.315 1.053 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccccn2)C[C@H](CO)O1 ZINC000163788693 136289992 /nfs/dbraw/zinc/28/99/92/136289992.db2.gz SLNNKQWCCZRNLH-GFCCVEGCSA-N 1 2 236.315 1.053 20 0 BDADLO CC[C@H](OC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000584058664 343309868 /nfs/dbraw/zinc/30/98/68/343309868.db2.gz HXVLHKSEKYYVCJ-QMMMGPOBSA-N 1 2 225.292 1.186 20 0 BDADLO CC(C)/C=C/c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053934 362164422 /nfs/dbraw/zinc/16/44/22/362164422.db2.gz QXKLLBLKZDVSGC-SNAWJCMRSA-N 1 2 231.303 1.729 20 0 BDADLO CC[C@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000037952625 343362676 /nfs/dbraw/zinc/36/26/76/343362676.db2.gz VKXJALJQJXRIBP-NSHDSACASA-N 1 2 207.273 1.728 20 0 BDADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000037967842 343362979 /nfs/dbraw/zinc/36/29/79/343362979.db2.gz GWUGWMIABAPJSS-CYBMUJFWSA-N 1 2 233.311 1.770 20 0 BDADLO CC/C=C\CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641066375 362175230 /nfs/dbraw/zinc/17/52/30/362175230.db2.gz ZWBFVOYUVOSTEA-ARJAWSKDSA-N 1 2 231.303 1.879 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000335647417 136304450 /nfs/dbraw/zinc/30/44/50/136304450.db2.gz SSXFBJZLVFJTSC-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000335647417 136304451 /nfs/dbraw/zinc/30/44/51/136304451.db2.gz SSXFBJZLVFJTSC-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000071570383 343352166 /nfs/dbraw/zinc/35/21/66/343352166.db2.gz LYDALZCBOPIDML-UHFFFAOYSA-N 1 2 204.229 1.358 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncnn2C)CCC1(F)F ZINC000335673304 136317264 /nfs/dbraw/zinc/31/72/64/136317264.db2.gz FPKSLNRBZSFFQR-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncnn2C)CCC1(F)F ZINC000335673304 136317265 /nfs/dbraw/zinc/31/72/65/136317265.db2.gz FPKSLNRBZSFFQR-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)n1C ZINC000335673370 136317271 /nfs/dbraw/zinc/31/72/71/136317271.db2.gz XQWZISYFEFXWRW-QMMMGPOBSA-N 1 2 244.289 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)n1C ZINC000335673370 136317272 /nfs/dbraw/zinc/31/72/72/136317272.db2.gz XQWZISYFEFXWRW-QMMMGPOBSA-N 1 2 244.289 1.601 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335664265 136315990 /nfs/dbraw/zinc/31/59/90/136315990.db2.gz OOUYSHZMEYRRSK-PSASIEDQSA-N 1 2 212.293 1.411 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335664265 136315991 /nfs/dbraw/zinc/31/59/91/136315991.db2.gz OOUYSHZMEYRRSK-PSASIEDQSA-N 1 2 212.293 1.411 20 0 BDADLO CC(C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335695305 136326718 /nfs/dbraw/zinc/32/67/18/136326718.db2.gz AVAJNBKRDRGBOZ-UHFFFAOYSA-N 1 2 236.319 1.707 20 0 BDADLO CC(C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335695305 136326719 /nfs/dbraw/zinc/32/67/19/136326719.db2.gz AVAJNBKRDRGBOZ-UHFFFAOYSA-N 1 2 236.319 1.707 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367091776 136344920 /nfs/dbraw/zinc/34/49/20/136344920.db2.gz MBXDWESRCVFFLD-WDEREUQCSA-N 1 2 249.314 1.558 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367091776 136344921 /nfs/dbraw/zinc/34/49/21/136344921.db2.gz MBXDWESRCVFFLD-WDEREUQCSA-N 1 2 249.314 1.558 20 0 BDADLO Cc1ccc(CCCN2CC(F)C2)c[nH+]1 ZINC000354631622 178529052 /nfs/dbraw/zinc/52/90/52/178529052.db2.gz FIQUCTAIQHIZAB-UHFFFAOYSA-N 1 2 208.280 1.976 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000335738195 136351001 /nfs/dbraw/zinc/35/10/01/136351001.db2.gz LYHZQCMGLPOGDW-LLVKDONJSA-N 1 2 230.311 1.838 20 0 BDADLO C[C@@H](O)C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000335738195 136351002 /nfs/dbraw/zinc/35/10/02/136351002.db2.gz LYHZQCMGLPOGDW-LLVKDONJSA-N 1 2 230.311 1.838 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccon1 ZINC000349250220 136333227 /nfs/dbraw/zinc/33/32/27/136333227.db2.gz YOGQNSVKKULZML-VIFPVBQESA-N 1 2 245.282 1.624 20 0 BDADLO c1ccc(N2CC[C@@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000335703453 136334895 /nfs/dbraw/zinc/33/48/95/136334895.db2.gz YKGXEABSCWLWNV-VXGBXAGGSA-N 1 2 218.300 1.944 20 0 BDADLO c1cn(Cc2cn(CCC3CCC3)nn2)c[nH+]1 ZINC000641092045 362217826 /nfs/dbraw/zinc/21/78/26/362217826.db2.gz BKCHGHPDLLDNDA-UHFFFAOYSA-N 1 2 231.303 1.713 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616429107 343432935 /nfs/dbraw/zinc/43/29/35/343432935.db2.gz XKSWRECSOBJLTI-MMWGEVLESA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616429107 343432937 /nfs/dbraw/zinc/43/29/37/343432937.db2.gz XKSWRECSOBJLTI-MMWGEVLESA-N 1 2 245.326 1.429 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)cn1 ZINC000335712371 136337877 /nfs/dbraw/zinc/33/78/77/136337877.db2.gz WKKYDZKAVQLQQW-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO COCC[N@H+](C)Cc1cn(C[C@H]2C[C@H]2C)nn1 ZINC000641081910 362199175 /nfs/dbraw/zinc/19/91/75/362199175.db2.gz NOGZWMPTGPXACZ-GHMZBOCLSA-N 1 2 238.335 1.012 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C[C@H]2C[C@H]2C)nn1 ZINC000641081910 362199179 /nfs/dbraw/zinc/19/91/79/362199179.db2.gz NOGZWMPTGPXACZ-GHMZBOCLSA-N 1 2 238.335 1.012 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2C)s1 ZINC000335899672 136359901 /nfs/dbraw/zinc/35/99/01/136359901.db2.gz QDXDEEWCSVQMHF-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@H+](C)C[C@H]2C)s1 ZINC000335899672 136359902 /nfs/dbraw/zinc/35/99/02/136359902.db2.gz QDXDEEWCSVQMHF-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000351501911 136368716 /nfs/dbraw/zinc/36/87/16/136368716.db2.gz IXZOKAXGDWOTJA-RDDDGLTNSA-N 1 2 221.304 1.219 20 0 BDADLO CCOCCCC(=O)NCCCn1cc[nH+]c1 ZINC000047699121 343442348 /nfs/dbraw/zinc/44/23/48/343442348.db2.gz VEQQBKXPNMAZTE-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)N2CCCC2)o1 ZINC000231653654 488220459 /nfs/dbraw/zinc/22/04/59/488220459.db2.gz OZTQWQBYOODIGY-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000042977722 343461733 /nfs/dbraw/zinc/46/17/33/343461733.db2.gz JILOUJMZRLRENH-UHFFFAOYSA-N 1 2 224.279 1.346 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000042977722 343461735 /nfs/dbraw/zinc/46/17/35/343461735.db2.gz JILOUJMZRLRENH-UHFFFAOYSA-N 1 2 224.279 1.346 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(-c2ccc(=O)[nH]c2)no1 ZINC000278032877 187341227 /nfs/dbraw/zinc/34/12/27/187341227.db2.gz XBLWTDXHSSKTBG-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(-c2ccc(=O)[nH]c2)no1 ZINC000278032877 187341229 /nfs/dbraw/zinc/34/12/29/187341229.db2.gz XBLWTDXHSSKTBG-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO CS(=O)(=O)Nc1cccc2cc[nH+]cc21 ZINC000094983001 343532485 /nfs/dbraw/zinc/53/24/85/343532485.db2.gz IUCVCDZWMPCLTF-UHFFFAOYSA-N 1 2 222.269 1.606 20 0 BDADLO CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000047028233 343556358 /nfs/dbraw/zinc/55/63/58/343556358.db2.gz MHOCJOQLTMLEPS-SNVBAGLBSA-N 1 2 236.319 1.466 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCCC1 ZINC000620007804 343558396 /nfs/dbraw/zinc/55/83/96/343558396.db2.gz AFVPRNLTMWDINO-UHFFFAOYSA-N 1 2 219.288 1.487 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1=CCCC1 ZINC000620007804 343558399 /nfs/dbraw/zinc/55/83/99/343558399.db2.gz AFVPRNLTMWDINO-UHFFFAOYSA-N 1 2 219.288 1.487 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ccn1 ZINC000616752284 343560146 /nfs/dbraw/zinc/56/01/46/343560146.db2.gz SBVATYPQSKMRDG-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)ccn1 ZINC000616752284 343560150 /nfs/dbraw/zinc/56/01/50/343560150.db2.gz SBVATYPQSKMRDG-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO CC(C)[NH2+]CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000152543439 343560770 /nfs/dbraw/zinc/56/07/70/343560770.db2.gz QXJXLFWOVFBXPH-UHFFFAOYSA-N 1 2 247.302 1.285 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1cnc(C)o1 ZINC000628289852 346946656 /nfs/dbraw/zinc/94/66/56/346946656.db2.gz QGBUISABDIOHKQ-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1cnc(C)o1 ZINC000628289852 346946658 /nfs/dbraw/zinc/94/66/58/346946658.db2.gz QGBUISABDIOHKQ-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047577853 343563495 /nfs/dbraw/zinc/56/34/95/343563495.db2.gz DZFXJHKMUCTMKB-NXEZZACHSA-N 1 2 224.308 1.369 20 0 BDADLO CCCCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047578031 343563570 /nfs/dbraw/zinc/56/35/70/343563570.db2.gz ACMXJAPFQOKNCK-NSHDSACASA-N 1 2 238.335 1.761 20 0 BDADLO CC(C)[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000620038456 343589242 /nfs/dbraw/zinc/58/92/42/343589242.db2.gz LDKTZKFYWXMPGJ-ZDUSSCGKSA-N 1 2 235.331 1.824 20 0 BDADLO CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281852856 187342575 /nfs/dbraw/zinc/34/25/75/187342575.db2.gz BJEISWJKOLSEFS-LBPRGKRZSA-N 1 2 247.342 1.945 20 0 BDADLO Cc1cc(C)nc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000049235971 343594210 /nfs/dbraw/zinc/59/42/10/343594210.db2.gz KTFRRAHBJGXGJJ-NSHDSACASA-N 1 2 231.303 1.791 20 0 BDADLO Cc1cc(=O)[nH]c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000340057223 187342625 /nfs/dbraw/zinc/34/26/25/187342625.db2.gz FWZNYMFWUHDVOC-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccccc1O ZINC000622745613 343605480 /nfs/dbraw/zinc/60/54/80/343605480.db2.gz QHXOWOQXJIFWMK-UHFFFAOYSA-N 1 2 231.255 1.388 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccccc1O ZINC000622745613 343605482 /nfs/dbraw/zinc/60/54/82/343605482.db2.gz QHXOWOQXJIFWMK-UHFFFAOYSA-N 1 2 231.255 1.388 20 0 BDADLO CC(C)COCC[N@H+](C)Cc1nccn1C ZINC000283376371 187344168 /nfs/dbraw/zinc/34/41/68/187344168.db2.gz SOOVSDGAXFZDJD-UHFFFAOYSA-N 1 2 225.336 1.525 20 0 BDADLO CC(C)COCC[N@@H+](C)Cc1nccn1C ZINC000283376371 187344169 /nfs/dbraw/zinc/34/41/69/187344169.db2.gz SOOVSDGAXFZDJD-UHFFFAOYSA-N 1 2 225.336 1.525 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1coc(C)n1 ZINC000380029826 343671567 /nfs/dbraw/zinc/67/15/67/343671567.db2.gz OQVLKMDAMKQTQJ-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1coc(C)n1 ZINC000380029826 343671571 /nfs/dbraw/zinc/67/15/71/343671571.db2.gz OQVLKMDAMKQTQJ-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000285072643 187344987 /nfs/dbraw/zinc/34/49/87/187344987.db2.gz HAQKRFHDBVOUGF-SNVBAGLBSA-N 1 2 246.314 1.592 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@@H](O)C2)nc[nH+]1 ZINC000379924518 343655558 /nfs/dbraw/zinc/65/55/58/343655558.db2.gz KFZHHTKKTUINBM-VHSXEESVSA-N 1 2 207.277 1.500 20 0 BDADLO COc1ccnc(N[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000577054301 365795613 /nfs/dbraw/zinc/79/56/13/365795613.db2.gz SHDOZGQTMUZCBB-IUCAKERBSA-N 1 2 245.286 1.800 20 0 BDADLO CSCCCC(=O)NCCCn1cc[nH+]c1 ZINC000071541641 343694176 /nfs/dbraw/zinc/69/41/76/343694176.db2.gz VLYLIXILMDUYCI-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO CCCc1nc(C[N@H+](C)C[C@H]2CCOC2)no1 ZINC000178354016 346953290 /nfs/dbraw/zinc/95/32/90/346953290.db2.gz XTVKIOTYHHFAFI-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1nc(C[N@@H+](C)C[C@H]2CCOC2)no1 ZINC000178354016 346953294 /nfs/dbraw/zinc/95/32/94/346953294.db2.gz XTVKIOTYHHFAFI-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1CCOCC1 ZINC000287524593 187346432 /nfs/dbraw/zinc/34/64/32/187346432.db2.gz NBEXTLGMLFJQIH-UHFFFAOYSA-N 1 2 249.314 1.999 20 0 BDADLO CC1(C(=O)Nc2c[nH+]c3n2CCCC3)COC1 ZINC000576078994 343703909 /nfs/dbraw/zinc/70/39/09/343703909.db2.gz AFBYCNFPJBZCIV-UHFFFAOYSA-N 1 2 235.287 1.194 20 0 BDADLO C[C@@H](C(=O)NCC(C)(F)F)[NH+]1CC(C)C1 ZINC000582131384 346955322 /nfs/dbraw/zinc/95/53/22/346955322.db2.gz GJGQEEPSCWFENU-QMMMGPOBSA-N 1 2 220.263 1.098 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccsc1 ZINC000088094365 343705712 /nfs/dbraw/zinc/70/57/12/343705712.db2.gz XIIYVKWCFKVNIF-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccsc1 ZINC000088094365 343705716 /nfs/dbraw/zinc/70/57/16/343705716.db2.gz XIIYVKWCFKVNIF-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000174663122 343719332 /nfs/dbraw/zinc/71/93/32/343719332.db2.gz ZKYMLQWXWGBVAG-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000174663122 343719334 /nfs/dbraw/zinc/71/93/34/343719334.db2.gz ZKYMLQWXWGBVAG-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000096554820 343778283 /nfs/dbraw/zinc/77/82/83/343778283.db2.gz TXNYTCAOPYHXSC-QMMMGPOBSA-N 1 2 234.303 1.876 20 0 BDADLO C[C@@H](NC(=O)NCC1CC=CC1)c1[nH+]ccn1C ZINC000624388749 343748455 /nfs/dbraw/zinc/74/84/55/343748455.db2.gz GOEWWTQZBFICMQ-SNVBAGLBSA-N 1 2 248.330 1.747 20 0 BDADLO CC[N@H+](Cc1noc(C2CCC2)n1)[C@H](C)CO ZINC000625443833 343755733 /nfs/dbraw/zinc/75/57/33/343755733.db2.gz PJOBETBCKQUXOL-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@@H+](Cc1noc(C2CCC2)n1)[C@H](C)CO ZINC000625443833 343755735 /nfs/dbraw/zinc/75/57/35/343755735.db2.gz PJOBETBCKQUXOL-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CN(CC(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493110293 529850696 /nfs/dbraw/zinc/85/06/96/529850696.db2.gz ZRLSIEUXXPXFFU-NSCUHMNNSA-N 1 2 215.203 1.146 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1c1cc(N)nc[nH+]1 ZINC000409427575 343801033 /nfs/dbraw/zinc/80/10/33/343801033.db2.gz AOVQNOVQHOGPCA-DTORHVGOSA-N 1 2 206.293 1.826 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000683897004 488239056 /nfs/dbraw/zinc/23/90/56/488239056.db2.gz HXRBYAMULAQNSL-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000683897004 488239058 /nfs/dbraw/zinc/23/90/58/488239058.db2.gz HXRBYAMULAQNSL-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO CC1(CC(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627370458 346994935 /nfs/dbraw/zinc/99/49/35/346994935.db2.gz ABKPTWCBYPBMCR-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO CC1(CC(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627370458 346994938 /nfs/dbraw/zinc/99/49/38/346994938.db2.gz ABKPTWCBYPBMCR-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO COc1cncc(C[NH2+][C@H](C)c2ccn(C)n2)n1 ZINC000625467599 343872600 /nfs/dbraw/zinc/87/26/00/343872600.db2.gz GQFXQZLZXPIRIX-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO O=c1cc(-c2ccn3cc[nH+]c3c2)cc[nH]1 ZINC000165620810 343938121 /nfs/dbraw/zinc/93/81/21/343938121.db2.gz AKNJXZBDOLGURV-UHFFFAOYSA-N 1 2 211.224 1.690 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)c1nccs1 ZINC000068451401 343917149 /nfs/dbraw/zinc/91/71/49/343917149.db2.gz KCTUVFRGTUPCJF-UHFFFAOYSA-N 1 2 236.300 1.393 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000603246447 349898562 /nfs/dbraw/zinc/89/85/62/349898562.db2.gz OBQMAPKTYZYPBU-NSHDSACASA-N 1 2 248.326 1.963 20 0 BDADLO CC(C)[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641188494 362262971 /nfs/dbraw/zinc/26/29/71/362262971.db2.gz QCXCRLNPSMEXFE-JTQLQIEISA-N 1 2 219.292 1.740 20 0 BDADLO C[C@@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000641240623 362297116 /nfs/dbraw/zinc/29/71/16/362297116.db2.gz IQQJOEXPUZSDIL-MRVPVSSYSA-N 1 2 207.277 1.308 20 0 BDADLO C[C@H]1CC[C@@H](Cn2cc(Cn3cc[nH+]c3)nn2)O1 ZINC000641192084 362267064 /nfs/dbraw/zinc/26/70/64/362267064.db2.gz ZFUKHAWRUINSIX-JQWIXIFHSA-N 1 2 247.302 1.090 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn3ccccc3n2)[C@@H](C)CO1 ZINC000249716644 362290406 /nfs/dbraw/zinc/29/04/06/362290406.db2.gz IWRIQGZGOFCLOI-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn3ccccc3n2)[C@@H](C)CO1 ZINC000249716644 362290408 /nfs/dbraw/zinc/29/04/08/362290408.db2.gz IWRIQGZGOFCLOI-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CC2(C)COC2)no1 ZINC000625792289 344076091 /nfs/dbraw/zinc/07/60/91/344076091.db2.gz UEEYIBRRDNAFIX-MRVPVSSYSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CC2(C)COC2)no1 ZINC000625792289 344076093 /nfs/dbraw/zinc/07/60/93/344076093.db2.gz UEEYIBRRDNAFIX-MRVPVSSYSA-N 1 2 225.292 1.407 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)CC1(C)COC1 ZINC000625792618 344075926 /nfs/dbraw/zinc/07/59/26/344075926.db2.gz LNHQTNYHKMZHNW-MRVPVSSYSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)CC1(C)COC1 ZINC000625792618 344075927 /nfs/dbraw/zinc/07/59/27/344075927.db2.gz LNHQTNYHKMZHNW-MRVPVSSYSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1C ZINC000641243697 362318561 /nfs/dbraw/zinc/31/85/61/362318561.db2.gz MXWJTMIJMDJDJC-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1C ZINC000641243697 362318564 /nfs/dbraw/zinc/31/85/64/362318564.db2.gz MXWJTMIJMDJDJC-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO Oc1ccc2c(c1)CN(CC[NH+]1CCOCC1)C2 ZINC000625727192 344058620 /nfs/dbraw/zinc/05/86/20/344058620.db2.gz RGLLOYTWNXFUJW-UHFFFAOYSA-N 1 2 248.326 1.040 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCN1CCOCC1)C2 ZINC000625727192 344058623 /nfs/dbraw/zinc/05/86/23/344058623.db2.gz RGLLOYTWNXFUJW-UHFFFAOYSA-N 1 2 248.326 1.040 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCN1CCOCC1)C2 ZINC000625727192 344058625 /nfs/dbraw/zinc/05/86/25/344058625.db2.gz RGLLOYTWNXFUJW-UHFFFAOYSA-N 1 2 248.326 1.040 20 0 BDADLO Cn1c[nH+]c(CN2Cc3ccc(O)cc3C2)c1 ZINC000625727845 344059135 /nfs/dbraw/zinc/05/91/35/344059135.db2.gz NOXYDPORBXKGHW-UHFFFAOYSA-N 1 2 229.283 1.642 20 0 BDADLO c1cn(CCCNc2cc(C3CC3)ncn2)c[nH+]1 ZINC000641252668 362330878 /nfs/dbraw/zinc/33/08/78/362330878.db2.gz PLWAWISGVLBLHK-UHFFFAOYSA-N 1 2 243.314 1.475 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000625768133 344069301 /nfs/dbraw/zinc/06/93/01/344069301.db2.gz FEUNYLOHZWWLMV-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO Cn1ncnc1C[N@H+]1CCCC(F)(F)CC1 ZINC000625768133 344069303 /nfs/dbraw/zinc/06/93/03/344069303.db2.gz FEUNYLOHZWWLMV-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1F ZINC000641305361 362354475 /nfs/dbraw/zinc/35/44/75/362354475.db2.gz PTUQWTFKEDYWOA-ULKQDVFKSA-N 1 2 222.263 1.713 20 0 BDADLO CC(C)CCCNc1cc(CO)cc[nH+]1 ZINC000641282530 362343680 /nfs/dbraw/zinc/34/36/80/362343680.db2.gz LHOYLOROSZFIRG-UHFFFAOYSA-N 1 2 208.305 1.844 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)o1 ZINC000634734495 344115350 /nfs/dbraw/zinc/11/53/50/344115350.db2.gz HOVQWTAEHWPODU-SECBINFHSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C(F)F)CC2)o1 ZINC000634734495 344115351 /nfs/dbraw/zinc/11/53/51/344115351.db2.gz HOVQWTAEHWPODU-SECBINFHSA-N 1 2 246.257 1.839 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@](C)(F)C1 ZINC000570696220 323067567 /nfs/dbraw/zinc/06/75/67/323067567.db2.gz JLMVDMABYCDQSN-SNVBAGLBSA-N 1 2 226.255 1.006 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@](C)(F)C1 ZINC000570696220 323067568 /nfs/dbraw/zinc/06/75/68/323067568.db2.gz JLMVDMABYCDQSN-SNVBAGLBSA-N 1 2 226.255 1.006 20 0 BDADLO OCc1cc[nH+]c(NC2CCOCC2)c1 ZINC000641301901 362353297 /nfs/dbraw/zinc/35/32/97/362353297.db2.gz DTIKWYAYHMFIIQ-UHFFFAOYSA-N 1 2 208.261 1.165 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(C3CC3)o2)CCO1 ZINC000628126842 344156356 /nfs/dbraw/zinc/15/63/56/344156356.db2.gz JSYRWIHNHMQBPJ-SECBINFHSA-N 1 2 222.288 1.773 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)o2)CCO1 ZINC000628126842 344156357 /nfs/dbraw/zinc/15/63/57/344156357.db2.gz JSYRWIHNHMQBPJ-SECBINFHSA-N 1 2 222.288 1.773 20 0 BDADLO C[C@@H](CN1CCCC1=O)Nc1cc[nH+]cc1F ZINC000641305641 362355227 /nfs/dbraw/zinc/35/52/27/362355227.db2.gz MIAPRUZXBVJZAW-VIFPVBQESA-N 1 2 237.278 1.065 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000085899051 344209784 /nfs/dbraw/zinc/20/97/84/344209784.db2.gz KHAIUFCCUNTULY-UHFFFAOYSA-N 1 2 238.335 1.081 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000085899051 344209786 /nfs/dbraw/zinc/20/97/86/344209786.db2.gz KHAIUFCCUNTULY-UHFFFAOYSA-N 1 2 238.335 1.081 20 0 BDADLO CC1(C)C[C@@H]([NH2+]Cc2ccn[nH]2)C(C)(C)O1 ZINC000086927271 344225872 /nfs/dbraw/zinc/22/58/72/344225872.db2.gz PHCYZCSADFBROO-SNVBAGLBSA-N 1 2 223.320 1.845 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2ccno2)CCO1 ZINC000634750971 344201919 /nfs/dbraw/zinc/20/19/19/344201919.db2.gz ITSUNTAYXFOLHQ-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2ccno2)CCO1 ZINC000634750971 344201922 /nfs/dbraw/zinc/20/19/22/344201922.db2.gz ITSUNTAYXFOLHQ-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C2CC(O)C2)o1 ZINC000408214224 344249792 /nfs/dbraw/zinc/24/97/92/344249792.db2.gz IGMZNDHVIGRTIE-UHFFFAOYSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C2CC(O)C2)o1 ZINC000408214224 344249793 /nfs/dbraw/zinc/24/97/93/344249793.db2.gz IGMZNDHVIGRTIE-UHFFFAOYSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000408214976 344250439 /nfs/dbraw/zinc/25/04/39/344250439.db2.gz NITXIEAVUDWKDD-IDKOKCKLSA-N 1 2 239.319 1.709 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000408214976 344250441 /nfs/dbraw/zinc/25/04/41/344250441.db2.gz NITXIEAVUDWKDD-IDKOKCKLSA-N 1 2 239.319 1.709 20 0 BDADLO COC(=O)CSCc1ccc(N(C)C)[nH+]c1 ZINC000600509687 344250602 /nfs/dbraw/zinc/25/06/02/344250602.db2.gz HULZVKDIMJWZCV-UHFFFAOYSA-N 1 2 240.328 1.554 20 0 BDADLO Cc1nccc(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000107293977 344252778 /nfs/dbraw/zinc/25/27/78/344252778.db2.gz SCXYHSXJNWKIRH-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO CCC[C@H](CCO)Nc1nc[nH+]c(C)c1OC ZINC000631425400 344254341 /nfs/dbraw/zinc/25/43/41/344254341.db2.gz COTXHZOOFMPEME-SNVBAGLBSA-N 1 2 239.319 1.757 20 0 BDADLO CN(C[C@H]1CCCOC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493870130 529967784 /nfs/dbraw/zinc/96/77/84/529967784.db2.gz WEAYKWFCKYEITB-SGUJLRQBSA-N 1 2 249.314 1.308 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc[nH]n1 ZINC000092438226 344295444 /nfs/dbraw/zinc/29/54/44/344295444.db2.gz MTXLCUGZAPCCRN-UHFFFAOYSA-N 1 2 219.292 1.165 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc[nH]n1 ZINC000092438226 344295447 /nfs/dbraw/zinc/29/54/47/344295447.db2.gz MTXLCUGZAPCCRN-UHFFFAOYSA-N 1 2 219.292 1.165 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634779769 344317105 /nfs/dbraw/zinc/31/71/05/344317105.db2.gz FPZNESWMAXNHDI-UJNFCWOMSA-N 1 2 223.276 1.017 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634779769 344317108 /nfs/dbraw/zinc/31/71/08/344317108.db2.gz FPZNESWMAXNHDI-UJNFCWOMSA-N 1 2 223.276 1.017 20 0 BDADLO C[C@@](O)(CNc1cc[nH+]cc1F)C1CC1 ZINC000641371656 362379736 /nfs/dbraw/zinc/37/97/36/362379736.db2.gz KPQYJIQNZQGMEQ-LLVKDONJSA-N 1 2 210.252 1.216 20 0 BDADLO CCC[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000641373159 362381427 /nfs/dbraw/zinc/38/14/27/362381427.db2.gz TUNBOARVTIJEKR-LLVKDONJSA-N 1 2 212.268 1.606 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@H](CO)C2)no1 ZINC000363481052 344403626 /nfs/dbraw/zinc/40/36/26/344403626.db2.gz PQNPPKRRVVMCMU-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@H](CO)C2)no1 ZINC000363481052 344403627 /nfs/dbraw/zinc/40/36/27/344403627.db2.gz PQNPPKRRVVMCMU-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO COC(=O)[C@H](C)SCc1cn(C)c[nH+]1 ZINC000603313449 349911877 /nfs/dbraw/zinc/91/18/77/349911877.db2.gz DZNVFXVSAHXHDC-ZETCQYMHSA-N 1 2 214.290 1.215 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245376 344447099 /nfs/dbraw/zinc/44/70/99/344447099.db2.gz VWAJVMFWPYOXKP-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO OCCN(CC1CC1)c1cc[nH+]cc1F ZINC000641400818 362391839 /nfs/dbraw/zinc/39/18/39/362391839.db2.gz VQTAUNDYDWQVBH-UHFFFAOYSA-N 1 2 210.252 1.429 20 0 BDADLO CC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000042867495 344469548 /nfs/dbraw/zinc/46/95/48/344469548.db2.gz ZBOPPMJJUNTODV-VIFPVBQESA-N 1 2 200.307 1.346 20 0 BDADLO CC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000042867495 344469550 /nfs/dbraw/zinc/46/95/50/344469550.db2.gz ZBOPPMJJUNTODV-VIFPVBQESA-N 1 2 200.307 1.346 20 0 BDADLO COC[C@H](C)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC000381151208 344480026 /nfs/dbraw/zinc/48/00/26/344480026.db2.gz ARLLSVJGRPCWNG-UWVGGRQHSA-N 1 2 231.336 1.589 20 0 BDADLO NC(=O)C[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641410666 362401185 /nfs/dbraw/zinc/40/11/85/362401185.db2.gz BEQNOFABBVCSPF-VIFPVBQESA-N 1 2 237.278 1.313 20 0 BDADLO CC(C)c1nc(NC[C@@H](C)CCO)cc[nH+]1 ZINC000381482090 344511441 /nfs/dbraw/zinc/51/14/41/344511441.db2.gz TUCFHFHGDAEKMY-JTQLQIEISA-N 1 2 223.320 1.452 20 0 BDADLO C[C@@H](NC(=O)C1=CCC1)c1[nH+]ccn1C ZINC000622978116 344523927 /nfs/dbraw/zinc/52/39/27/344523927.db2.gz KLAPETMERUYDQH-MRVPVSSYSA-N 1 2 205.261 1.318 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cscn1 ZINC000043623321 344528396 /nfs/dbraw/zinc/52/83/96/344528396.db2.gz SCEBKDFSERKQIT-VIFPVBQESA-N 1 2 242.344 1.917 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cscn1 ZINC000043623321 344528398 /nfs/dbraw/zinc/52/83/98/344528398.db2.gz SCEBKDFSERKQIT-VIFPVBQESA-N 1 2 242.344 1.917 20 0 BDADLO COC[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152401857 344539819 /nfs/dbraw/zinc/53/98/19/344539819.db2.gz CBASZWXUGOZXCM-SECBINFHSA-N 1 2 237.303 1.855 20 0 BDADLO CC(C)NC(=O)CNc1cc[nH+]c(C(C)C)n1 ZINC000110117683 344542691 /nfs/dbraw/zinc/54/26/91/344542691.db2.gz GRXKJRQQCCGCEO-UHFFFAOYSA-N 1 2 236.319 1.537 20 0 BDADLO COC(=O)[C@H](C)CSCc1ccc[nH+]c1N ZINC000603314801 349912274 /nfs/dbraw/zinc/91/22/74/349912274.db2.gz AWOZEDKZCVKCMF-MRVPVSSYSA-N 1 2 240.328 1.706 20 0 BDADLO CCC[C@H](CCO)CNc1cc[nH+]cc1F ZINC000641405955 362397665 /nfs/dbraw/zinc/39/76/65/362397665.db2.gz CZUBGSBERQSTRF-SNVBAGLBSA-N 1 2 226.295 1.853 20 0 BDADLO OC[C@H](Nc1cc[nH+]cc1F)C1CCCCC1 ZINC000641407958 362399730 /nfs/dbraw/zinc/39/97/30/362399730.db2.gz GNPWZAKYZPGNOT-ZDUSSCGKSA-N 1 2 238.306 1.996 20 0 BDADLO C[C@H]1OCCN(c2cc[nH+]cc2F)[C@H]1C ZINC000641443959 362422368 /nfs/dbraw/zinc/42/23/68/362422368.db2.gz NWVZYJDWHVLOQM-DTWKUNHWSA-N 1 2 210.252 1.834 20 0 BDADLO CN(CCOC(C)(C)C)c1cc(CO)cc[nH+]1 ZINC000641446317 362422997 /nfs/dbraw/zinc/42/29/97/362422997.db2.gz FFCNLUJFPDHEFR-UHFFFAOYSA-N 1 2 238.331 1.825 20 0 BDADLO C[C@@H](O)[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641453244 362427709 /nfs/dbraw/zinc/42/77/09/362427709.db2.gz RPCHORCPIMPIMD-NXEZZACHSA-N 1 2 224.279 1.818 20 0 BDADLO CN(CC1(O)CCCC1)c1cc[nH+]cc1F ZINC000641459365 362431787 /nfs/dbraw/zinc/43/17/87/362431787.db2.gz XWBDIEARMZXJIP-UHFFFAOYSA-N 1 2 224.279 1.962 20 0 BDADLO OC[C@H](CC(F)(F)F)Nc1cc[nH+]cc1F ZINC000641461709 362435545 /nfs/dbraw/zinc/43/55/45/362435545.db2.gz DDPVEUYAXVFQQJ-LURJTMIESA-N 1 2 238.184 1.368 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000641465887 362439216 /nfs/dbraw/zinc/43/92/16/362439216.db2.gz QHTQSSGIVAEMSJ-KWQFWETISA-N 1 2 210.252 1.428 20 0 BDADLO C[C@](O)(CNc1cc[nH+]cc1F)C(F)(F)F ZINC000641466057 362440046 /nfs/dbraw/zinc/44/00/46/362440046.db2.gz LHMZTVMAVNLAGD-QMMMGPOBSA-N 1 2 238.184 1.368 20 0 BDADLO Cn1cnnc1[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000641472629 362441113 /nfs/dbraw/zinc/44/11/13/362441113.db2.gz ODJFXFMRTDXAKO-NSHDSACASA-N 1 2 247.277 1.691 20 0 BDADLO Fc1cnccc1NCCCCn1cc[nH+]c1 ZINC000641477557 362445935 /nfs/dbraw/zinc/44/59/35/362445935.db2.gz CHDGTEOMCSIIIG-UHFFFAOYSA-N 1 2 234.278 1.731 20 0 BDADLO CCCN(C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000573981425 344587061 /nfs/dbraw/zinc/58/70/61/344587061.db2.gz PSOIBYXOYKDUEB-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO CCCN(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000573981425 344587064 /nfs/dbraw/zinc/58/70/64/344587064.db2.gz PSOIBYXOYKDUEB-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@]3(CCOC3)C2)c1 ZINC000641432232 362414342 /nfs/dbraw/zinc/41/43/42/362414342.db2.gz NIEJTZXONPEYNM-ZDUSSCGKSA-N 1 2 234.299 1.191 20 0 BDADLO CCOC(=O)[C@@H](CC)SCc1cn(C)c[nH+]1 ZINC000603317772 349913319 /nfs/dbraw/zinc/91/33/19/349913319.db2.gz CNSTYFCIZOZDEL-SNVBAGLBSA-N 1 2 242.344 1.995 20 0 BDADLO CO[C@H]1CCC[C@H]1CNc1cc[nH+]cc1F ZINC000641481379 362448657 /nfs/dbraw/zinc/44/86/57/362448657.db2.gz XMRITKMOADSJDT-CABZTGNLSA-N 1 2 224.279 1.870 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000672865675 488267683 /nfs/dbraw/zinc/26/76/83/488267683.db2.gz BBYXMENTBQHAQT-NSHDSACASA-N 1 2 237.347 1.904 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)[C@@H]1CCCOC1 ZINC000641484614 362452207 /nfs/dbraw/zinc/45/22/07/362452207.db2.gz VXYLDVKMVXTTGX-NXEZZACHSA-N 1 2 224.279 1.870 20 0 BDADLO Cc1cnc(SCc2cn(C)c[nH+]2)[nH]c1=O ZINC000641485217 362453893 /nfs/dbraw/zinc/45/38/93/362453893.db2.gz DKBPBYHPYAGJQV-UHFFFAOYSA-N 1 2 236.300 1.516 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ccccn1 ZINC000049235914 344600763 /nfs/dbraw/zinc/60/07/63/344600763.db2.gz YHQQGMWCGYPZMO-SNVBAGLBSA-N 1 2 202.261 1.779 20 0 BDADLO COC[C@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)O1 ZINC000641523443 362479595 /nfs/dbraw/zinc/47/95/95/362479595.db2.gz LMPPOPFKOVBWBN-NXEZZACHSA-N 1 2 240.278 1.461 20 0 BDADLO OC[C@H](CC(F)F)Nc1cc[nH+]cc1F ZINC000641536552 362485994 /nfs/dbraw/zinc/48/59/94/362485994.db2.gz ONKTVAAGXOLCCD-LURJTMIESA-N 1 2 220.194 1.071 20 0 BDADLO OCc1cc[nH+]c(N[C@@H](CO)CC(F)F)c1 ZINC000641536457 362486648 /nfs/dbraw/zinc/48/66/48/362486648.db2.gz MXBZDMWXZYTAMJ-MRVPVSSYSA-N 1 2 232.230 1.002 20 0 BDADLO OC1CC(CCNc2cc[nH+]cc2F)C1 ZINC000641538106 362489960 /nfs/dbraw/zinc/48/99/60/362489960.db2.gz SEXUXUITKHJZHL-UHFFFAOYSA-N 1 2 210.252 1.216 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641538734 362490853 /nfs/dbraw/zinc/49/08/53/362490853.db2.gz AVXCOTJTMPFBSB-DTWKUNHWSA-N 1 2 210.277 1.409 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccn1 ZINC000626006951 344665797 /nfs/dbraw/zinc/66/57/97/344665797.db2.gz PHLBWKGTVYBWMW-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ccn1 ZINC000626006951 344665799 /nfs/dbraw/zinc/66/57/99/344665799.db2.gz PHLBWKGTVYBWMW-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC(CC(F)F)C1 ZINC000425079726 192074110 /nfs/dbraw/zinc/07/41/10/192074110.db2.gz JVASRTOEYYSXLX-UHFFFAOYSA-N 1 2 243.257 1.387 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1c[nH+]c[nH]1 ZINC000626018675 344674335 /nfs/dbraw/zinc/67/43/35/344674335.db2.gz RQKCHHOJBCFHAU-VXNVDRBHSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1c[nH]c[nH+]1 ZINC000626018675 344674338 /nfs/dbraw/zinc/67/43/38/344674338.db2.gz RQKCHHOJBCFHAU-VXNVDRBHSA-N 1 2 249.236 1.561 20 0 BDADLO COc1cccc2c1C[N@H+](CC(=O)N(C)C)C2 ZINC000626020429 344675869 /nfs/dbraw/zinc/67/58/69/344675869.db2.gz LHXVPMBDBLSLSL-UHFFFAOYSA-N 1 2 234.299 1.099 20 0 BDADLO COc1cccc2c1C[N@@H+](CC(=O)N(C)C)C2 ZINC000626020429 344675871 /nfs/dbraw/zinc/67/58/71/344675871.db2.gz LHXVPMBDBLSLSL-UHFFFAOYSA-N 1 2 234.299 1.099 20 0 BDADLO COc1cccc2c1C[N@H+](C[C@@](C)(O)C(C)=O)C2 ZINC000626023959 344676041 /nfs/dbraw/zinc/67/60/41/344676041.db2.gz XBRBLTZDNFEWGH-CQSZACIVSA-N 1 2 249.310 1.351 20 0 BDADLO COc1cccc2c1C[N@@H+](C[C@@](C)(O)C(C)=O)C2 ZINC000626023959 344676042 /nfs/dbraw/zinc/67/60/42/344676042.db2.gz XBRBLTZDNFEWGH-CQSZACIVSA-N 1 2 249.310 1.351 20 0 BDADLO COc1cccc2c1C[N@H+](Cc1cnn(C)c1)C2 ZINC000626021549 344677133 /nfs/dbraw/zinc/67/71/33/344677133.db2.gz GGZJNCGEXSMUMI-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO COc1cccc2c1C[N@@H+](Cc1cnn(C)c1)C2 ZINC000626021549 344677135 /nfs/dbraw/zinc/67/71/35/344677135.db2.gz GGZJNCGEXSMUMI-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021924 344677790 /nfs/dbraw/zinc/67/77/90/344677790.db2.gz VXTBGAGHJMKXHA-UHFFFAOYSA-N 1 2 248.326 1.489 20 0 BDADLO CCN(C)C(=O)C[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021924 344677793 /nfs/dbraw/zinc/67/77/93/344677793.db2.gz VXTBGAGHJMKXHA-UHFFFAOYSA-N 1 2 248.326 1.489 20 0 BDADLO CCOC(=O)C[N@H+](C)CCO[C@H]1CCCCO1 ZINC000050066480 344629354 /nfs/dbraw/zinc/62/93/54/344629354.db2.gz NYWDIBZTAQMQRZ-LBPRGKRZSA-N 1 2 245.319 1.025 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000050066480 344629359 /nfs/dbraw/zinc/62/93/59/344629359.db2.gz NYWDIBZTAQMQRZ-LBPRGKRZSA-N 1 2 245.319 1.025 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CC(C)C1)CC2 ZINC000625971767 344631292 /nfs/dbraw/zinc/63/12/92/344631292.db2.gz ZUUAIOODZOVFDA-CKBZRRDASA-N 1 2 247.342 1.669 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC1(C)CC1)CC2 ZINC000625981885 344649200 /nfs/dbraw/zinc/64/92/00/344649200.db2.gz HKGSVPTWAGJYLJ-NSHDSACASA-N 1 2 247.342 1.670 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@]23C[C@H]2CCC3)n1 ZINC000351315181 344744689 /nfs/dbraw/zinc/74/46/89/344744689.db2.gz BIKBFTDJWICWBH-NOZJJQNGSA-N 1 2 244.298 1.836 20 0 BDADLO CCCc1nc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626043800 344694796 /nfs/dbraw/zinc/69/47/96/344694796.db2.gz DAZALYPMKHWWFJ-AOOOYVTPSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626043800 344694797 /nfs/dbraw/zinc/69/47/97/344694797.db2.gz DAZALYPMKHWWFJ-AOOOYVTPSA-N 1 2 239.319 1.225 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C[C@H]2C[C@@H](O)C2)n1 ZINC000626047007 344698653 /nfs/dbraw/zinc/69/86/53/344698653.db2.gz ACCDVFBEDODPNY-DTORHVGOSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)n1 ZINC000626047007 344698655 /nfs/dbraw/zinc/69/86/55/344698655.db2.gz ACCDVFBEDODPNY-DTORHVGOSA-N 1 2 243.738 1.276 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082277648 344712880 /nfs/dbraw/zinc/71/28/80/344712880.db2.gz NHRKWIOAXVRJQF-NSHDSACASA-N 1 2 244.298 1.689 20 0 BDADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000310522625 344767185 /nfs/dbraw/zinc/76/71/85/344767185.db2.gz XEJIIALFFCQHFV-VIFPVBQESA-N 1 2 237.303 1.292 20 0 BDADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000310522625 344767188 /nfs/dbraw/zinc/76/71/88/344767188.db2.gz XEJIIALFFCQHFV-VIFPVBQESA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000075290522 344769922 /nfs/dbraw/zinc/76/99/22/344769922.db2.gz WTYPIJBEMNGSKZ-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1(C)CC1 ZINC000401258479 530025899 /nfs/dbraw/zinc/02/58/99/530025899.db2.gz DCVDOUSXXOJPAJ-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CN(Cc1nccs1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493625481 530027818 /nfs/dbraw/zinc/02/78/18/530027818.db2.gz OOLIGQISINKAKK-NSCUHMNNSA-N 1 2 248.311 1.538 20 0 BDADLO CCc1cnc(C[N@H+](CCO)C2CC2)o1 ZINC000075626702 344781352 /nfs/dbraw/zinc/78/13/52/344781352.db2.gz LVHPOHFPOLRRGC-UHFFFAOYSA-N 1 2 210.277 1.194 20 0 BDADLO CCc1cnc(C[N@@H+](CCO)C2CC2)o1 ZINC000075626702 344781355 /nfs/dbraw/zinc/78/13/55/344781355.db2.gz LVHPOHFPOLRRGC-UHFFFAOYSA-N 1 2 210.277 1.194 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC000387758964 347071519 /nfs/dbraw/zinc/07/15/19/347071519.db2.gz ALPUGIFWQDIQRX-BDAKNGLRSA-N 1 2 231.303 1.821 20 0 BDADLO Cc1cc(C)nc(NCc2c[nH+]cn2C)n1 ZINC000291089698 537857284 /nfs/dbraw/zinc/85/72/84/537857284.db2.gz JDOLSTQSXAQOPM-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000075682241 344784561 /nfs/dbraw/zinc/78/45/61/344784561.db2.gz GLFXOTONFYDDOT-UHFFFAOYSA-N 1 2 238.356 1.585 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000075682241 344784562 /nfs/dbraw/zinc/78/45/62/344784562.db2.gz GLFXOTONFYDDOT-UHFFFAOYSA-N 1 2 238.356 1.585 20 0 BDADLO C[C@H]1CCC[C@H](C)C1NC(=O)Cn1cc[nH+]c1 ZINC000075682015 344784594 /nfs/dbraw/zinc/78/45/94/344784594.db2.gz VBPAKCYMUFKVEA-QWRGUYRKSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@H](CO)[NH+]1CCN(CC2CCCC2)CC1 ZINC000075957781 344788720 /nfs/dbraw/zinc/78/87/20/344788720.db2.gz ROYAAJUCSUZNID-CQSZACIVSA-N 1 2 240.391 1.565 20 0 BDADLO C[C@H](O)CC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000075782789 344791849 /nfs/dbraw/zinc/79/18/49/344791849.db2.gz CUZUXXPYSWFTMS-IUCAKERBSA-N 1 2 239.319 1.711 20 0 BDADLO C[C@H](O)CC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000075782789 344791851 /nfs/dbraw/zinc/79/18/51/344791851.db2.gz CUZUXXPYSWFTMS-IUCAKERBSA-N 1 2 239.319 1.711 20 0 BDADLO Cc1[nH]c(CN2C[C@H](C)OC[C@@H]2C)[nH+]c1C ZINC000628140527 344805622 /nfs/dbraw/zinc/80/56/22/344805622.db2.gz NYNSORDCOLDYFY-IUCAKERBSA-N 1 2 223.320 1.636 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000077318204 344816600 /nfs/dbraw/zinc/81/66/00/344816600.db2.gz NQFFUKBQPDBCAH-KDZIRCDLSA-N 1 2 243.294 1.780 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(F)(F)F ZINC000077318204 344816601 /nfs/dbraw/zinc/81/66/01/344816601.db2.gz NQFFUKBQPDBCAH-KDZIRCDLSA-N 1 2 243.294 1.780 20 0 BDADLO COc1ncc(CNCC[NH+]2CCCC2)s1 ZINC000309365270 537866148 /nfs/dbraw/zinc/86/61/48/537866148.db2.gz OORCSVLKYXWIFC-UHFFFAOYSA-N 1 2 241.360 1.337 20 0 BDADLO CCCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000583375972 344852041 /nfs/dbraw/zinc/85/20/41/344852041.db2.gz FDKVBMHFMUOGEL-MRVPVSSYSA-N 1 2 213.306 1.059 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@H](C)C2)[nH]c1C ZINC000628162087 344862535 /nfs/dbraw/zinc/86/25/35/344862535.db2.gz CKWPCWYWPMOYDI-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@H](C)C2)[nH]c1C ZINC000628162087 344862538 /nfs/dbraw/zinc/86/25/38/344862538.db2.gz CKWPCWYWPMOYDI-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN2CCCO[C@H](C)C2)[nH+]c1C ZINC000628162087 344862540 /nfs/dbraw/zinc/86/25/40/344862540.db2.gz CKWPCWYWPMOYDI-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000628163682 344866816 /nfs/dbraw/zinc/86/68/16/344866816.db2.gz NMUXKHPQUJPSGA-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000628163682 344866819 /nfs/dbraw/zinc/86/68/19/344866819.db2.gz NMUXKHPQUJPSGA-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CCn2cccn2)n1 ZINC000628173534 344895442 /nfs/dbraw/zinc/89/54/42/344895442.db2.gz ZILPAVPCURTARQ-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CCn2cccn2)n1 ZINC000628173534 344895443 /nfs/dbraw/zinc/89/54/43/344895443.db2.gz ZILPAVPCURTARQ-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1c[nH]c(C[NH+]2CCC(C)(O)CC2)n1 ZINC000628177366 344904912 /nfs/dbraw/zinc/90/49/12/344904912.db2.gz VYGMXYHXTPQJHX-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1c[nH]c(CN2CC[C@](O)(C(F)(F)F)C2)[nH+]1 ZINC000628183288 344929408 /nfs/dbraw/zinc/92/94/08/344929408.db2.gz WBDBWQIFMLLLJB-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000628183796 344932481 /nfs/dbraw/zinc/93/24/81/344932481.db2.gz NQRVKOVXRMTPRF-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000628183796 344932484 /nfs/dbraw/zinc/93/24/84/344932484.db2.gz NQRVKOVXRMTPRF-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000079427550 344968905 /nfs/dbraw/zinc/96/89/05/344968905.db2.gz KXSINEBIRBZBCX-UHFFFAOYSA-N 1 2 218.260 1.072 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC000583443261 344977344 /nfs/dbraw/zinc/97/73/44/344977344.db2.gz FTPJQEQXTUMXQK-OUAUKWLOSA-N 1 2 233.315 1.312 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000079543266 344987090 /nfs/dbraw/zinc/98/70/90/344987090.db2.gz VAMIYSDDOQSNDH-QWRGUYRKSA-N 1 2 221.304 1.436 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCO1 ZINC000153925017 345002727 /nfs/dbraw/zinc/00/27/27/345002727.db2.gz GOPGGOJAIIUVCC-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCO1 ZINC000153925017 345002730 /nfs/dbraw/zinc/00/27/30/345002730.db2.gz GOPGGOJAIIUVCC-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000641560874 362500965 /nfs/dbraw/zinc/50/09/65/362500965.db2.gz IBGMJRSTOPTUJE-OLZOCXBDSA-N 1 2 248.326 1.722 20 0 BDADLO CCc1nnc(SCc2cn(C)c[nH+]2)o1 ZINC000641559852 362505250 /nfs/dbraw/zinc/50/52/50/362505250.db2.gz USJZMOZTDVUPFH-UHFFFAOYSA-N 1 2 224.289 1.658 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000154835589 345053248 /nfs/dbraw/zinc/05/32/48/345053248.db2.gz UBQDXQDCMKHOIC-CHWSQXEVSA-N 1 2 247.342 1.778 20 0 BDADLO C[C@@H](CC(C)(C)O)Nc1cc(CO)cc[nH+]1 ZINC000641615598 362548894 /nfs/dbraw/zinc/54/88/94/362548894.db2.gz FOXMQQJNWCBECY-VIFPVBQESA-N 1 2 224.304 1.535 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CC1CCC1 ZINC000079993970 345073415 /nfs/dbraw/zinc/07/34/15/345073415.db2.gz AUMDCANDZZQCCW-UHFFFAOYSA-N 1 2 221.304 1.569 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000079993955 345073672 /nfs/dbraw/zinc/07/36/72/345073672.db2.gz IXXDCHOWDCJKMT-QWRGUYRKSA-N 1 2 235.331 1.815 20 0 BDADLO CO[C@H]1CCN(c2cc(CO)cc[nH+]2)C[C@H]1C ZINC000641618568 362551648 /nfs/dbraw/zinc/55/16/48/362551648.db2.gz HVIJUPJILITOAJ-PWSUYJOCSA-N 1 2 236.315 1.435 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@H](n2cccn2)C1 ZINC000641620104 362552173 /nfs/dbraw/zinc/55/21/73/362552173.db2.gz CQJIUSKTNULPLN-SNVBAGLBSA-N 1 2 232.262 1.869 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@H]3C[C@H]32)c1 ZINC000641593446 362532703 /nfs/dbraw/zinc/53/27/03/362532703.db2.gz XVRVJWNEZMGAHV-WDEREUQCSA-N 1 2 204.273 1.563 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1cc[nH]c1 ZINC000069156063 362539366 /nfs/dbraw/zinc/53/93/66/362539366.db2.gz LSYHERXBQXUBLI-UHFFFAOYSA-N 1 2 232.287 1.421 20 0 BDADLO c1[nH+]cn2c1CN(c1cc(C3CC3)ncn1)CC2 ZINC000641602559 362540063 /nfs/dbraw/zinc/54/00/63/362540063.db2.gz QRIPDQAIKQGKLZ-UHFFFAOYSA-N 1 2 241.298 1.571 20 0 BDADLO OCc1cc[nH+]c(N[C@H](CO)C2CCCC2)c1 ZINC000641604993 362542406 /nfs/dbraw/zinc/54/24/06/362542406.db2.gz VXXPNFGHUFRVDA-GFCCVEGCSA-N 1 2 236.315 1.537 20 0 BDADLO CC[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641640358 362569828 /nfs/dbraw/zinc/56/98/28/362569828.db2.gz OBOXWEWMNWGGTL-NEPJUHHUSA-N 1 2 236.315 1.943 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155797852 345103987 /nfs/dbraw/zinc/10/39/87/345103987.db2.gz VVJAPEMBGGTXTL-NSHDSACASA-N 1 2 235.331 1.608 20 0 BDADLO Cc1nc(NCc2cc3n(n2)CCCC3)cc[nH+]1 ZINC000641654919 362578590 /nfs/dbraw/zinc/57/85/90/362578590.db2.gz SPXQDCZYOJEOBP-UHFFFAOYSA-N 1 2 243.314 1.352 20 0 BDADLO C[C@@H]1OCC[C@@H]1SCc1cn(C)c[nH+]1 ZINC000603324910 349923623 /nfs/dbraw/zinc/92/36/23/349923623.db2.gz IZQZJLGUDLXARO-WPRPVWTQSA-N 1 2 212.318 1.831 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]cc2F)c2ncnn21 ZINC000641656095 362580053 /nfs/dbraw/zinc/58/00/53/362580053.db2.gz CHLLJGPNOZEAAA-XCBNKYQSSA-N 1 2 233.250 1.352 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H](O)C2CCC2)c1 ZINC000641623469 362555271 /nfs/dbraw/zinc/55/52/71/362555271.db2.gz LKPCKMXIZRIRRE-LLVKDONJSA-N 1 2 222.288 1.147 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)c2ncnn21 ZINC000641656666 362581585 /nfs/dbraw/zinc/58/15/85/362581585.db2.gz KNPVPXUZKFBZPB-PSASIEDQSA-N 1 2 245.286 1.283 20 0 BDADLO Cn1ncc2c1CCCN(c1cc[nH+]cc1F)C2 ZINC000641632979 362562069 /nfs/dbraw/zinc/56/20/69/362562069.db2.gz PBLIKSCOLMMRNK-UHFFFAOYSA-N 1 2 246.289 1.907 20 0 BDADLO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000080243756 345125057 /nfs/dbraw/zinc/12/50/57/345125057.db2.gz JUILWDCVVBRQPB-AWEZNQCLSA-N 1 2 245.326 1.757 20 0 BDADLO COCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635057416 345231570 /nfs/dbraw/zinc/23/15/70/345231570.db2.gz WQQNMQSSPWCPQQ-LLVKDONJSA-N 1 2 239.319 1.233 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635072026 345239932 /nfs/dbraw/zinc/23/99/32/345239932.db2.gz DKTAQZZXWPMOKB-NXEZZACHSA-N 1 2 219.288 1.572 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635072026 345239935 /nfs/dbraw/zinc/23/99/35/345239935.db2.gz DKTAQZZXWPMOKB-NXEZZACHSA-N 1 2 219.288 1.572 20 0 BDADLO CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635074927 345240142 /nfs/dbraw/zinc/24/01/42/345240142.db2.gz JDRZRFSFGKIRPI-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635074927 345240144 /nfs/dbraw/zinc/24/01/44/345240144.db2.gz JDRZRFSFGKIRPI-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCC[C@@H]2C)[nH+]1 ZINC000635077583 345241304 /nfs/dbraw/zinc/24/13/04/345241304.db2.gz GUOMLRPYWDBFLJ-JTQLQIEISA-N 1 2 235.331 1.916 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)no1 ZINC000246075656 345248945 /nfs/dbraw/zinc/24/89/45/345248945.db2.gz BUCYMKZZMAPWLG-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)no1 ZINC000246075656 345248948 /nfs/dbraw/zinc/24/89/48/345248948.db2.gz BUCYMKZZMAPWLG-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCc2ccco2)[nH+]1 ZINC000635118022 345250413 /nfs/dbraw/zinc/25/04/13/345250413.db2.gz QWDXEVVWOSLCLX-UHFFFAOYSA-N 1 2 247.298 1.467 20 0 BDADLO CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635247814 345284136 /nfs/dbraw/zinc/28/41/36/345284136.db2.gz XDESJHNLCXHXFJ-LLVKDONJSA-N 1 2 223.320 1.949 20 0 BDADLO O=C(Nc1nncs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635362322 345324762 /nfs/dbraw/zinc/32/47/62/345324762.db2.gz FXACNWFNEDYPNT-PHDIDXHHSA-N 1 2 235.272 1.003 20 0 BDADLO O=C(Nc1nncs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635362322 345324763 /nfs/dbraw/zinc/32/47/63/345324763.db2.gz FXACNWFNEDYPNT-PHDIDXHHSA-N 1 2 235.272 1.003 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2C[C@@H]2C)[nH+]1 ZINC000635301286 345300316 /nfs/dbraw/zinc/30/03/16/345300316.db2.gz WXJRZNRBEYCKSZ-IUCAKERBSA-N 1 2 221.304 1.287 20 0 BDADLO CO[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635476207 345387323 /nfs/dbraw/zinc/38/73/23/345387323.db2.gz PNQQTMKXYJDGCK-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](n2cccn2)C1 ZINC000564739433 345340739 /nfs/dbraw/zinc/34/07/39/345340739.db2.gz BJLWHHMLGDQAPA-LBPRGKRZSA-N 1 2 243.314 1.741 20 0 BDADLO CCCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000562318875 345341772 /nfs/dbraw/zinc/34/17/72/345341772.db2.gz CXDSKINYFRRBHZ-UHFFFAOYSA-N 1 2 209.293 1.221 20 0 BDADLO CC1(C)CC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000359564835 345350524 /nfs/dbraw/zinc/35/05/24/345350524.db2.gz UQEOEOQCPKTZRX-SECBINFHSA-N 1 2 234.299 1.974 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC2(C)C)[nH+]1 ZINC000635407783 345351591 /nfs/dbraw/zinc/35/15/91/345351591.db2.gz XVPVUEZDLQEYAY-SECBINFHSA-N 1 2 221.304 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H](C)C2CC2)[nH+]1 ZINC000635421547 345361119 /nfs/dbraw/zinc/36/11/19/345361119.db2.gz NLTDCOMHLMVVJE-VIFPVBQESA-N 1 2 235.331 1.677 20 0 BDADLO O=C(NC[C@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635430256 345365491 /nfs/dbraw/zinc/36/54/91/345365491.db2.gz ZWMGYEBNCYYUOP-QJPTWQEYSA-N 1 2 245.326 1.986 20 0 BDADLO O=C(NC[C@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635430256 345365493 /nfs/dbraw/zinc/36/54/93/345365493.db2.gz ZWMGYEBNCYYUOP-QJPTWQEYSA-N 1 2 245.326 1.986 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1C[C@@H]1C ZINC000619433778 345384636 /nfs/dbraw/zinc/38/46/36/345384636.db2.gz WJCFHQFHPWHURP-JXUBOQSCSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1C[C@@H]1C ZINC000619433778 345384637 /nfs/dbraw/zinc/38/46/37/345384637.db2.gz WJCFHQFHPWHURP-JXUBOQSCSA-N 1 2 215.268 1.228 20 0 BDADLO CO[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635476207 345387321 /nfs/dbraw/zinc/38/73/21/345387321.db2.gz PNQQTMKXYJDGCK-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)[nH]1 ZINC000158456281 345335403 /nfs/dbraw/zinc/33/54/03/345335403.db2.gz ATQHTTBGGJPJIK-NXEZZACHSA-N 1 2 238.335 1.102 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)[nH]1 ZINC000158456281 345335406 /nfs/dbraw/zinc/33/54/06/345335406.db2.gz ATQHTTBGGJPJIK-NXEZZACHSA-N 1 2 238.335 1.102 20 0 BDADLO Cc1nnc(N[C@@H](C)Cn2cc[nH+]c2)nc1C ZINC000159077675 345405387 /nfs/dbraw/zinc/40/53/87/345405387.db2.gz CLDVNEIOZTWBDO-QMMMGPOBSA-N 1 2 232.291 1.186 20 0 BDADLO CC(C)(C)N1C[C@H](Nc2cccc[nH+]2)CC1=O ZINC000080690982 345434886 /nfs/dbraw/zinc/43/48/86/345434886.db2.gz LLCJPQDATOJJAT-SNVBAGLBSA-N 1 2 233.315 1.893 20 0 BDADLO CC(C)(O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000080787605 345447423 /nfs/dbraw/zinc/44/74/23/345447423.db2.gz OVGBZIIGYXHIIH-UHFFFAOYSA-N 1 2 223.320 1.957 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@H](C)C2)[nH+]1 ZINC000080766559 345450022 /nfs/dbraw/zinc/45/00/22/345450022.db2.gz LEBWHMZYRLOARG-MRVPVSSYSA-N 1 2 232.287 1.491 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080918520 345451126 /nfs/dbraw/zinc/45/11/26/345451126.db2.gz BPDJVFBZCLLCSB-VIFPVBQESA-N 1 2 223.272 1.386 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080918520 345451128 /nfs/dbraw/zinc/45/11/28/345451128.db2.gz BPDJVFBZCLLCSB-VIFPVBQESA-N 1 2 223.272 1.386 20 0 BDADLO CN(C[C@H]1COCCO1)c1cc[nH+]cc1F ZINC000641659014 362583961 /nfs/dbraw/zinc/58/39/61/362583961.db2.gz KFURJDDHFZGLBO-VIFPVBQESA-N 1 2 226.251 1.072 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)C1CC1)C1CC1 ZINC000082275677 345500399 /nfs/dbraw/zinc/50/03/99/345500399.db2.gz PCIOKXRYFQLURB-JTQLQIEISA-N 1 2 219.288 1.397 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](C)[C@H]1O ZINC000641660063 362586365 /nfs/dbraw/zinc/58/63/65/362586365.db2.gz VWLJNFOKVVNGAQ-GDGBQDQQSA-N 1 2 224.279 1.674 20 0 BDADLO O=C1CC[C@@H]2CN(c3cc[nH+]cc3F)CC[C@H]2N1 ZINC000641660272 362586852 /nfs/dbraw/zinc/58/68/52/362586852.db2.gz ZKHWUIICUFZDPA-MWLCHTKSSA-N 1 2 249.289 1.326 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000635538102 345505710 /nfs/dbraw/zinc/50/57/10/345505710.db2.gz NFIJRFUOIOAWSP-SNVBAGLBSA-N 1 2 239.319 1.165 20 0 BDADLO CCCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000080976468 345457506 /nfs/dbraw/zinc/45/75/06/345457506.db2.gz KLJPGNHBFUABAG-GFCCVEGCSA-N 1 2 247.342 1.967 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)[C@@H](C)CO)[nH+]1 ZINC000081003971 345458883 /nfs/dbraw/zinc/45/88/83/345458883.db2.gz DOTASLXTDNBIEV-JGVFFNPUSA-N 1 2 234.303 1.695 20 0 BDADLO CCCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081308975 345469891 /nfs/dbraw/zinc/46/98/91/345469891.db2.gz IUHWKTDDXLLGTM-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081308975 345469894 /nfs/dbraw/zinc/46/98/94/345469894.db2.gz IUHWKTDDXLLGTM-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000081453298 345475310 /nfs/dbraw/zinc/47/53/10/345475310.db2.gz DBLPKWCIAZUXIR-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC23CCC3)o1 ZINC000081562685 345478595 /nfs/dbraw/zinc/47/85/95/345478595.db2.gz NMIRUPUQZRVLHV-UHFFFAOYSA-N 1 2 207.277 1.760 20 0 BDADLO CCc1nnc(C[N@H+]2CCC23CCC3)o1 ZINC000081562685 345478600 /nfs/dbraw/zinc/47/86/00/345478600.db2.gz NMIRUPUQZRVLHV-UHFFFAOYSA-N 1 2 207.277 1.760 20 0 BDADLO C(c1nnnn1C1CC1)[N@@H+]1CCC12CCC2 ZINC000081580263 345479756 /nfs/dbraw/zinc/47/97/56/345479756.db2.gz DRALKAGSMCQTNF-UHFFFAOYSA-N 1 2 219.292 1.136 20 0 BDADLO C(c1nnnn1C1CC1)[N@H+]1CCC12CCC2 ZINC000081580263 345479779 /nfs/dbraw/zinc/47/97/79/345479779.db2.gz DRALKAGSMCQTNF-UHFFFAOYSA-N 1 2 219.292 1.136 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+](C)Cc2ccco2)C1=O ZINC000175033225 187306026 /nfs/dbraw/zinc/30/60/26/187306026.db2.gz MNUHTVWDPVPWLZ-GFCCVEGCSA-N 1 2 236.315 1.721 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000175033225 187306028 /nfs/dbraw/zinc/30/60/28/187306028.db2.gz MNUHTVWDPVPWLZ-GFCCVEGCSA-N 1 2 236.315 1.721 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cc1O ZINC000089441347 345551108 /nfs/dbraw/zinc/55/11/08/345551108.db2.gz LLAWTCXZHDYKRT-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO CCOC(=O)CC[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000089656814 345557905 /nfs/dbraw/zinc/55/79/05/345557905.db2.gz ZYINWBGJYKXZGF-VIFPVBQESA-N 1 2 237.303 1.929 20 0 BDADLO Cc1cc(N[C@@H](C)C(=O)OC(C)(C)C)cc[nH+]1 ZINC000418898473 192089327 /nfs/dbraw/zinc/08/93/27/192089327.db2.gz JBYVKVODSKKFMC-JTQLQIEISA-N 1 2 236.315 1.954 20 0 BDADLO CCCC[NH+](CCCC)Cc1n[nH]c(=O)[nH]1 ZINC000091516107 345596626 /nfs/dbraw/zinc/59/66/26/345596626.db2.gz KGXQGVCDYNWRHS-UHFFFAOYSA-N 1 2 226.324 1.500 20 0 BDADLO CC[C@H](C)[C@@H](C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556508 345598595 /nfs/dbraw/zinc/59/85/95/345598595.db2.gz WKECPWRWZKYXOB-DTWKUNHWSA-N 1 2 238.335 1.497 20 0 BDADLO CC[C@H](C)[C@@H](C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556508 345598600 /nfs/dbraw/zinc/59/86/00/345598600.db2.gz WKECPWRWZKYXOB-DTWKUNHWSA-N 1 2 238.335 1.497 20 0 BDADLO CC(C)CC[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594426 345600121 /nfs/dbraw/zinc/60/01/21/345600121.db2.gz ICRULJIWGCCGDS-SNVBAGLBSA-N 1 2 238.335 1.499 20 0 BDADLO CC(C)CC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594426 345600122 /nfs/dbraw/zinc/60/01/22/345600122.db2.gz ICRULJIWGCCGDS-SNVBAGLBSA-N 1 2 238.335 1.499 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000092041283 345614425 /nfs/dbraw/zinc/61/44/25/345614425.db2.gz CKVFNLDIWKFFJR-GXFFZTMASA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000092041283 345614427 /nfs/dbraw/zinc/61/44/27/345614427.db2.gz CKVFNLDIWKFFJR-GXFFZTMASA-N 1 2 239.315 1.424 20 0 BDADLO Cc1c(C(=O)NCc2[nH]cc[nH+]2)cnn1C(C)C ZINC000092445923 345620626 /nfs/dbraw/zinc/62/06/26/345620626.db2.gz NBPKJFDXSIAAHV-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO CCSCCCNc1cc(CO)cc[nH+]1 ZINC000603370010 349934116 /nfs/dbraw/zinc/93/41/16/349934116.db2.gz HWEJOYFTZGIBRI-UHFFFAOYSA-N 1 2 226.345 1.551 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000093508764 345662417 /nfs/dbraw/zinc/66/24/17/345662417.db2.gz DBBIQXWCSIHTBQ-NSHDSACASA-N 1 2 239.315 1.773 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000093508764 345662419 /nfs/dbraw/zinc/66/24/19/345662419.db2.gz DBBIQXWCSIHTBQ-NSHDSACASA-N 1 2 239.315 1.773 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)c1 ZINC000093809883 345664371 /nfs/dbraw/zinc/66/43/71/345664371.db2.gz PNBLIEPTECWDMA-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)c1 ZINC000093809883 345664374 /nfs/dbraw/zinc/66/43/74/345664374.db2.gz PNBLIEPTECWDMA-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1csc(C[NH2+]Cc2ccncc2N)n1 ZINC000641704695 362615971 /nfs/dbraw/zinc/61/59/71/362615971.db2.gz JLHOPDRJWBCDOG-UHFFFAOYSA-N 1 2 234.328 1.719 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000092970997 345649648 /nfs/dbraw/zinc/64/96/48/345649648.db2.gz WLGMGBQNSYPLGN-SNVBAGLBSA-N 1 2 223.320 1.311 20 0 BDADLO Fc1c[nH+]ccc1N1CC2(C1)CCCO2 ZINC000641678525 362599660 /nfs/dbraw/zinc/59/96/60/362599660.db2.gz XEWBVEHYFBBPHQ-UHFFFAOYSA-N 1 2 208.236 1.590 20 0 BDADLO CCC(O)(CC)CN(C)c1cc(CO)cc[nH+]1 ZINC000641679556 362600866 /nfs/dbraw/zinc/60/08/66/362600866.db2.gz YRSBBQQJNXNXHF-UHFFFAOYSA-N 1 2 238.331 1.561 20 0 BDADLO O=C1[C@@H](Nc2cc[nH+]cc2F)CCN1C1CCC1 ZINC000641680704 362601760 /nfs/dbraw/zinc/60/17/60/362601760.db2.gz WBOWQKFWUKHDDL-LBPRGKRZSA-N 1 2 249.289 1.208 20 0 BDADLO CC[C@@]1(O)CCCN(c2cc[nH+]cc2F)C1 ZINC000641681934 362604335 /nfs/dbraw/zinc/60/43/35/362604335.db2.gz KXGOYCHQNZPLPN-GFCCVEGCSA-N 1 2 224.279 1.962 20 0 BDADLO CCOC(=O)CSCCCn1cc[nH+]c1 ZINC000180428376 187308116 /nfs/dbraw/zinc/30/81/16/187308116.db2.gz RVZUWWQSXLSBJA-UHFFFAOYSA-N 1 2 228.317 1.570 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000622636827 345695744 /nfs/dbraw/zinc/69/57/44/345695744.db2.gz KCIALCOIRFXSPY-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]1C1CC1 ZINC000622637013 345697046 /nfs/dbraw/zinc/69/70/46/345697046.db2.gz OGUDQBDXYYUXSQ-GFCCVEGCSA-N 1 2 233.315 1.364 20 0 BDADLO CCOc1ccn(Cc2c[nH+]cn2C)n1 ZINC000641731240 362657160 /nfs/dbraw/zinc/65/71/60/362657160.db2.gz SCQRPFNVQXVLNW-UHFFFAOYSA-N 1 2 206.249 1.064 20 0 BDADLO Cc1cc(CNC(=O)N2CCOCC2)cc(C)[nH+]1 ZINC000115830799 345676925 /nfs/dbraw/zinc/67/69/25/345676925.db2.gz ZEDFTDZTBYWMSS-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCCC2)[nH+]1 ZINC000117869592 345677836 /nfs/dbraw/zinc/67/78/36/345677836.db2.gz CSRQWQMGTDFBIK-UHFFFAOYSA-N 1 2 202.261 1.867 20 0 BDADLO NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000215661554 345742805 /nfs/dbraw/zinc/74/28/05/345742805.db2.gz ZNRXKGDAFCLGRZ-LLVKDONJSA-N 1 2 236.340 1.262 20 0 BDADLO NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000215661554 345742807 /nfs/dbraw/zinc/74/28/07/345742807.db2.gz ZNRXKGDAFCLGRZ-LLVKDONJSA-N 1 2 236.340 1.262 20 0 BDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOC1 ZINC000635559329 345747111 /nfs/dbraw/zinc/74/71/11/345747111.db2.gz FGKIPPAVFLGAPP-BREBYQMCSA-N 1 2 249.314 1.056 20 0 BDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOC1 ZINC000635559329 345747114 /nfs/dbraw/zinc/74/71/14/345747114.db2.gz FGKIPPAVFLGAPP-BREBYQMCSA-N 1 2 249.314 1.056 20 0 BDADLO CCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000205491844 345732676 /nfs/dbraw/zinc/73/26/76/345732676.db2.gz FEHVAJYUMGINJP-UHFFFAOYSA-N 1 2 218.300 1.745 20 0 BDADLO CCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000205491844 345732679 /nfs/dbraw/zinc/73/26/79/345732679.db2.gz FEHVAJYUMGINJP-UHFFFAOYSA-N 1 2 218.300 1.745 20 0 BDADLO CC[C@H](Cn1ncc2c1nc[nH+]c2NC)OC ZINC000418941399 192090703 /nfs/dbraw/zinc/09/07/03/192090703.db2.gz KNSKRARTTFILHP-MRVPVSSYSA-N 1 2 235.291 1.293 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)[C@H](C)O1 ZINC000631464009 345802323 /nfs/dbraw/zinc/80/23/23/345802323.db2.gz KJVCLOYCWUIOPN-WCABBAIRSA-N 1 2 233.315 1.754 20 0 BDADLO Cc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000051576577 345855137 /nfs/dbraw/zinc/85/51/37/345855137.db2.gz YZYNOLDXNCZGEW-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cccc(C[N@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000051576577 345855141 /nfs/dbraw/zinc/85/51/41/345855141.db2.gz YZYNOLDXNCZGEW-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO C[C@@H](NC(=O)CCc1cccnc1)c1[nH]cc[nH+]1 ZINC000141107334 345836567 /nfs/dbraw/zinc/83/65/67/345836567.db2.gz KIIROUNNAYIDSU-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC000635611229 345892099 /nfs/dbraw/zinc/89/20/99/345892099.db2.gz MPEJYFFFBRWPFK-DBIOUOCHSA-N 1 2 245.326 1.628 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC000635611229 345892102 /nfs/dbraw/zinc/89/21/02/345892102.db2.gz MPEJYFFFBRWPFK-DBIOUOCHSA-N 1 2 245.326 1.628 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000184950583 187310865 /nfs/dbraw/zinc/31/08/65/187310865.db2.gz FATXCXAIUQBTBT-QWRGUYRKSA-N 1 2 221.304 1.291 20 0 BDADLO CCc1cc(N(C)CCCOC)nc[nH+]1 ZINC000603381218 349939813 /nfs/dbraw/zinc/93/98/13/349939813.db2.gz MTJQKDIWFDJKCS-UHFFFAOYSA-N 1 2 209.293 1.512 20 0 BDADLO O=C(CC1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000335319385 187310372 /nfs/dbraw/zinc/31/03/72/187310372.db2.gz BZEZCPWXOULJPW-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635584271 345880320 /nfs/dbraw/zinc/88/03/20/345880320.db2.gz YYQXXWFQYFTQGC-GHMZBOCLSA-N 1 2 233.315 1.820 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635584271 345880323 /nfs/dbraw/zinc/88/03/23/345880323.db2.gz YYQXXWFQYFTQGC-GHMZBOCLSA-N 1 2 233.315 1.820 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC000635627733 345900642 /nfs/dbraw/zinc/90/06/42/345900642.db2.gz BFULQKQRBVLKLT-LMLFDSFASA-N 1 2 233.315 1.628 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC000635627733 345900643 /nfs/dbraw/zinc/90/06/43/345900643.db2.gz BFULQKQRBVLKLT-LMLFDSFASA-N 1 2 233.315 1.628 20 0 BDADLO CNc1cc(N2CCCC[C@@H]2C)nc[nH+]1 ZINC000087805873 345940776 /nfs/dbraw/zinc/94/07/76/345940776.db2.gz OHJZABLUUPFJHV-VIFPVBQESA-N 1 2 206.293 1.897 20 0 BDADLO CNc1cc(N2CCCC[C@@H]2C)[nH+]cn1 ZINC000087805873 345940779 /nfs/dbraw/zinc/94/07/79/345940779.db2.gz OHJZABLUUPFJHV-VIFPVBQESA-N 1 2 206.293 1.897 20 0 BDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC000635667235 345973053 /nfs/dbraw/zinc/97/30/53/345973053.db2.gz MXPUBZYQQBKRPT-BREBYQMCSA-N 1 2 249.314 1.199 20 0 BDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC000635667235 345973054 /nfs/dbraw/zinc/97/30/54/345973054.db2.gz MXPUBZYQQBKRPT-BREBYQMCSA-N 1 2 249.314 1.199 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635690953 345979704 /nfs/dbraw/zinc/97/97/04/345979704.db2.gz UTNKSWFXJWSALX-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635690953 345979705 /nfs/dbraw/zinc/97/97/05/345979705.db2.gz UTNKSWFXJWSALX-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO C[C@@H]1[C@H](C)CN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000419018774 192093995 /nfs/dbraw/zinc/09/39/95/192093995.db2.gz PXVHPODNDATPLJ-BBBLOLIVSA-N 1 2 245.330 1.844 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000419017270 192094402 /nfs/dbraw/zinc/09/44/02/192094402.db2.gz NTOFTTZVTGWBHH-GUBZILKMSA-N 1 2 249.362 1.727 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@H](C)[C@@H]2C)[nH+]1 ZINC000419017270 192094403 /nfs/dbraw/zinc/09/44/03/192094403.db2.gz NTOFTTZVTGWBHH-GUBZILKMSA-N 1 2 249.362 1.727 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329423938 187364334 /nfs/dbraw/zinc/36/43/34/187364334.db2.gz FKIIQDZFAXFHBC-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCOCC2(CC2)C1 ZINC000329423938 187364335 /nfs/dbraw/zinc/36/43/35/187364335.db2.gz FKIIQDZFAXFHBC-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]2C(C)C)[nH+]1 ZINC000635771228 346059782 /nfs/dbraw/zinc/05/97/82/346059782.db2.gz TXBQCFVUJPYFQR-LLVKDONJSA-N 1 2 235.331 1.772 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635770299 346059912 /nfs/dbraw/zinc/05/99/12/346059912.db2.gz LYRCSFSTOMKRLN-FOGDFJRCSA-N 1 2 233.315 1.770 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ccc(C)nc2)[nH+]1 ZINC000635713204 346025059 /nfs/dbraw/zinc/02/50/59/346025059.db2.gz ZHGAZFDSIQZASF-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635770299 346059914 /nfs/dbraw/zinc/05/99/14/346059914.db2.gz LYRCSFSTOMKRLN-FOGDFJRCSA-N 1 2 233.315 1.770 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCC(F)(F)C1 ZINC000678969265 488299596 /nfs/dbraw/zinc/29/95/96/488299596.db2.gz AHFXGGGRVLNURV-UHFFFAOYSA-N 1 2 243.257 1.531 20 0 BDADLO Cc1cn2ccc(C(=O)N(C)[C@@H](C)CO)cc2[nH+]1 ZINC000635730386 346042127 /nfs/dbraw/zinc/04/21/27/346042127.db2.gz JPCKQTLPHYDZLD-JTQLQIEISA-N 1 2 247.298 1.096 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)C(F)(F)F)C(C)C ZINC000381492575 346077016 /nfs/dbraw/zinc/07/70/16/346077016.db2.gz YSISBVZXYUJSKJ-YUMQZZPRSA-N 1 2 241.253 1.972 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]3CCC[C@H]32)[nH+]1 ZINC000635823808 346078494 /nfs/dbraw/zinc/07/84/94/346078494.db2.gz VQBWYYCKQGOLAZ-CMPLNLGQSA-N 1 2 247.342 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)[C@H](C)OC)[nH+]1 ZINC000635840291 346083068 /nfs/dbraw/zinc/08/30/68/346083068.db2.gz CMPWQFMIXLFQPS-IUCAKERBSA-N 1 2 239.319 1.054 20 0 BDADLO Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000635844961 346088343 /nfs/dbraw/zinc/08/83/43/346088343.db2.gz GPTUWOGXBHRFMD-SECBINFHSA-N 1 2 246.314 1.760 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000635866882 346097886 /nfs/dbraw/zinc/09/78/86/346097886.db2.gz LEIXPIOKOYONCW-DDFAGTSDSA-N 1 2 233.315 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000635866883 346098008 /nfs/dbraw/zinc/09/80/08/346098008.db2.gz LEIXPIOKOYONCW-IWIIMEHWSA-N 1 2 233.315 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000635888566 346098923 /nfs/dbraw/zinc/09/89/23/346098923.db2.gz OZOXRVGHOQHMDW-WDEREUQCSA-N 1 2 233.315 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C)=C[C@@H](C)C2)[nH+]1 ZINC000635889143 346099346 /nfs/dbraw/zinc/09/93/46/346099346.db2.gz UNQOYQMPKMIVOS-SNVBAGLBSA-N 1 2 247.342 1.939 20 0 BDADLO C=Cn1cc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000193630109 187315392 /nfs/dbraw/zinc/31/53/92/187315392.db2.gz NXALWIDRNSCKGN-UHFFFAOYSA-N 1 2 231.303 1.349 20 0 BDADLO C=Cn1cc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000193630109 187315393 /nfs/dbraw/zinc/31/53/93/187315393.db2.gz NXALWIDRNSCKGN-UHFFFAOYSA-N 1 2 231.303 1.349 20 0 BDADLO CCOC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635989646 346140404 /nfs/dbraw/zinc/14/04/04/346140404.db2.gz MHNRRZIHBLSRJQ-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO CCOC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635989646 346140407 /nfs/dbraw/zinc/14/04/07/346140407.db2.gz MHNRRZIHBLSRJQ-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO CO[C@@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC000418997333 192096679 /nfs/dbraw/zinc/09/66/79/192096679.db2.gz UCAIHMFVZDMAAZ-LLVKDONJSA-N 1 2 223.320 1.680 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635926441 346116725 /nfs/dbraw/zinc/11/67/25/346116725.db2.gz SSDHIPSCUXUJGX-SGIHWFKDSA-N 1 2 219.288 1.428 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635926441 346116729 /nfs/dbraw/zinc/11/67/29/346116729.db2.gz SSDHIPSCUXUJGX-SGIHWFKDSA-N 1 2 219.288 1.428 20 0 BDADLO C/C=C\C[C@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000336772229 187316098 /nfs/dbraw/zinc/31/60/98/187316098.db2.gz XXOJQZNXJVSLAB-DLRQAJBASA-N 1 2 209.293 1.135 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCOCC3)n2c1 ZINC000156386980 178982454 /nfs/dbraw/zinc/98/24/54/178982454.db2.gz HXAVNPLESZPNBA-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO Cc1nc[nH]c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000636006850 346148419 /nfs/dbraw/zinc/14/84/19/346148419.db2.gz OLHAKTQQZADHNW-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587044890 346177251 /nfs/dbraw/zinc/17/72/51/346177251.db2.gz BILCHQLDRVVNHI-BDAKNGLRSA-N 1 2 239.344 1.066 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](CCO)c2ccco2)o1 ZINC000628240039 346201158 /nfs/dbraw/zinc/20/11/58/346201158.db2.gz OFDAWXNGAIAKSW-NSHDSACASA-N 1 2 236.271 1.789 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(C3CC3)o2)ncn1 ZINC000628231599 346184161 /nfs/dbraw/zinc/18/41/61/346184161.db2.gz UTAZLOFYJUBBKG-UHFFFAOYSA-N 1 2 244.298 1.940 20 0 BDADLO CCc1cc(NCCc2c(C)noc2C)nc[nH+]1 ZINC000603392634 349944748 /nfs/dbraw/zinc/94/47/48/349944748.db2.gz SORZRQLKFHXWGE-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2nccc(C)n2)c[nH+]1 ZINC000636042740 346223253 /nfs/dbraw/zinc/22/32/53/346223253.db2.gz UZHXQAQBNDFYDO-QMMMGPOBSA-N 1 2 245.286 1.308 20 0 BDADLO O[C@H](C[NH2+]CC(F)F)COCc1ccccc1 ZINC000136596614 346248652 /nfs/dbraw/zinc/24/86/52/346248652.db2.gz TYZQZELGXAWDIF-LLVKDONJSA-N 1 2 245.269 1.419 20 0 BDADLO Cc1nc(C[NH+]2CC([C@@H]3CCOC3)C2)[nH]c1C ZINC000628255817 346249313 /nfs/dbraw/zinc/24/93/13/346249313.db2.gz YWNYICLKRTVONC-LLVKDONJSA-N 1 2 235.331 1.495 20 0 BDADLO Cc1[nH]c(CN2CC([C@@H]3CCOC3)C2)[nH+]c1C ZINC000628255817 346249314 /nfs/dbraw/zinc/24/93/14/346249314.db2.gz YWNYICLKRTVONC-LLVKDONJSA-N 1 2 235.331 1.495 20 0 BDADLO CC[C@H](CNc1cc(C2CC2)[nH+]cn1)C(=O)OC ZINC000603399667 349946319 /nfs/dbraw/zinc/94/63/19/349946319.db2.gz UPMRRYCKKDFRQN-SECBINFHSA-N 1 2 249.314 1.387 20 0 BDADLO CC[C@@H](CNc1cc(C2CC2)[nH+]cn1)C(=O)OC ZINC000603399672 349946489 /nfs/dbraw/zinc/94/64/89/349946489.db2.gz UPMRRYCKKDFRQN-VIFPVBQESA-N 1 2 249.314 1.387 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307702690 187317887 /nfs/dbraw/zinc/31/78/87/187317887.db2.gz UPKOOFKETXTLEB-GXFFZTMASA-N 1 2 201.335 1.405 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307702690 187317889 /nfs/dbraw/zinc/31/78/89/187317889.db2.gz UPKOOFKETXTLEB-GXFFZTMASA-N 1 2 201.335 1.405 20 0 BDADLO c1snnc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000684414808 488309333 /nfs/dbraw/zinc/30/93/33/488309333.db2.gz UKVUDBCOSOHSDV-QMMMGPOBSA-N 1 2 225.317 1.006 20 0 BDADLO CC[C@]1(O)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000631485903 346265498 /nfs/dbraw/zinc/26/54/98/346265498.db2.gz PHALHSVZSIKTRW-LBPRGKRZSA-N 1 2 221.304 1.526 20 0 BDADLO Cc1c[nH]c(CN2CCOCC23CC3)[nH+]1 ZINC000628265009 346265942 /nfs/dbraw/zinc/26/59/42/346265942.db2.gz MFELLCAPKXIHIU-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163019 346273761 /nfs/dbraw/zinc/27/37/61/346273761.db2.gz CRIJPBLHKHQNDM-VMZHVLLKSA-N 1 2 236.319 1.689 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163019 346273765 /nfs/dbraw/zinc/27/37/65/346273765.db2.gz CRIJPBLHKHQNDM-VMZHVLLKSA-N 1 2 236.319 1.689 20 0 BDADLO COCCOCCN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628283298 346295171 /nfs/dbraw/zinc/29/51/71/346295171.db2.gz OEYGKIINVOUGPW-UHFFFAOYSA-N 1 2 241.335 1.121 20 0 BDADLO COCCOCC[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628283298 346295174 /nfs/dbraw/zinc/29/51/74/346295174.db2.gz OEYGKIINVOUGPW-UHFFFAOYSA-N 1 2 241.335 1.121 20 0 BDADLO COCCOCC[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628283298 346295178 /nfs/dbraw/zinc/29/51/78/346295178.db2.gz OEYGKIINVOUGPW-UHFFFAOYSA-N 1 2 241.335 1.121 20 0 BDADLO OCc1cc[nH+]c(NCc2cnn3c2CCC3)c1 ZINC000641762649 362693824 /nfs/dbraw/zinc/69/38/24/362693824.db2.gz QDCLNALLYSPTJQ-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)C(C)(C)C)[nH+]1 ZINC000636108245 346321126 /nfs/dbraw/zinc/32/11/26/346321126.db2.gz HHSASICIKPFFOA-UHFFFAOYSA-N 1 2 223.320 1.772 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000365292136 187320542 /nfs/dbraw/zinc/32/05/42/187320542.db2.gz JSDIHROXHNYCLV-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC[C@@H]1CCCO1 ZINC000365292136 187320544 /nfs/dbraw/zinc/32/05/44/187320544.db2.gz JSDIHROXHNYCLV-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO Cc1cccn2c(NC(=O)[C@H]3C[C@@H](O)C3)c[nH+]c12 ZINC000636203479 346353547 /nfs/dbraw/zinc/35/35/47/346353547.db2.gz BWPOBJQHZBPLSY-AOOOYVTPSA-N 1 2 245.282 1.352 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000336266901 187366207 /nfs/dbraw/zinc/36/62/07/187366207.db2.gz MQGKEGDTNISBNP-MRVPVSSYSA-N 1 2 211.265 1.363 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000336266901 187366209 /nfs/dbraw/zinc/36/62/09/187366209.db2.gz MQGKEGDTNISBNP-MRVPVSSYSA-N 1 2 211.265 1.363 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2C[C@H]2C1 ZINC000636225074 346359735 /nfs/dbraw/zinc/35/97/35/346359735.db2.gz MUEMUMGOZBUODE-UKKRHICBSA-N 1 2 231.299 1.382 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2C[C@H]2C1 ZINC000636225074 346359736 /nfs/dbraw/zinc/35/97/36/346359736.db2.gz MUEMUMGOZBUODE-UKKRHICBSA-N 1 2 231.299 1.382 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@]2(C)CC2(C)C)[nH+]1 ZINC000636228150 346361239 /nfs/dbraw/zinc/36/12/39/346361239.db2.gz MZFRPIDCJURVKH-CYBMUJFWSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)noc1C ZINC000156395390 346367872 /nfs/dbraw/zinc/36/78/72/346367872.db2.gz UASYXTIUNJNXGC-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)noc1C ZINC000156395390 346367875 /nfs/dbraw/zinc/36/78/75/346367875.db2.gz UASYXTIUNJNXGC-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CCN1CC[NH+](Cc2scnc2C)CC1 ZINC000157435059 346382988 /nfs/dbraw/zinc/38/29/88/346382988.db2.gz SAXJMXXRIOHMHT-UHFFFAOYSA-N 1 2 225.361 1.589 20 0 BDADLO CC[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)OC ZINC000419197152 192101254 /nfs/dbraw/zinc/10/12/54/192101254.db2.gz XRUHTYFJHKNQDP-SNVBAGLBSA-N 1 2 231.336 1.685 20 0 BDADLO CC[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)OC ZINC000419197152 192101256 /nfs/dbraw/zinc/10/12/56/192101256.db2.gz XRUHTYFJHKNQDP-SNVBAGLBSA-N 1 2 231.336 1.685 20 0 BDADLO Cc1cccc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000336721630 179069632 /nfs/dbraw/zinc/06/96/32/179069632.db2.gz ZPFCRMUBKPUVDW-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CCCN(C(=O)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000563407235 323122408 /nfs/dbraw/zinc/12/24/08/323122408.db2.gz HYQIBUKQERIWRU-LBPRGKRZSA-N 1 2 242.363 1.354 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@]23C[C@H]2CCCC3)[nH+]1 ZINC000636315340 346390949 /nfs/dbraw/zinc/39/09/49/346390949.db2.gz SYSXEYJWEMWTKH-QMTHXVAHSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2CCCO2)no1 ZINC000381590469 346393820 /nfs/dbraw/zinc/39/38/20/346393820.db2.gz JFUWXMLEORWMGC-VIFPVBQESA-N 1 2 225.292 1.382 20 0 BDADLO Cc1[nH]c(CN[C@H](C)C(F)F)[nH+]c1C ZINC000641793771 362732424 /nfs/dbraw/zinc/73/24/24/362732424.db2.gz GLOAQINZRIWGGA-SSDOTTSWSA-N 1 2 203.236 1.770 20 0 BDADLO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)C(F)F ZINC000641791863 362733066 /nfs/dbraw/zinc/73/30/66/362733066.db2.gz OFRPIBXJYKXZLE-YUMQZZPRSA-N 1 2 215.247 1.651 20 0 BDADLO CC(C)[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000331091647 187369129 /nfs/dbraw/zinc/36/91/29/187369129.db2.gz WXFMXWDBFAIXLT-SECBINFHSA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000331091647 187369131 /nfs/dbraw/zinc/36/91/31/187369131.db2.gz WXFMXWDBFAIXLT-SECBINFHSA-N 1 2 209.293 1.708 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332901644 346479517 /nfs/dbraw/zinc/47/95/17/346479517.db2.gz VQBCUDAHLQNKJQ-KXUCPTDWSA-N 1 2 248.330 1.222 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332901644 346479520 /nfs/dbraw/zinc/47/95/20/346479520.db2.gz VQBCUDAHLQNKJQ-KXUCPTDWSA-N 1 2 248.330 1.222 20 0 BDADLO Cc1cccc(Cl)c1C[N@H+](C)CC(N)=O ZINC000295619790 179108516 /nfs/dbraw/zinc/10/85/16/179108516.db2.gz WFRRRZMGTZAWQB-UHFFFAOYSA-N 1 2 226.707 1.566 20 0 BDADLO Cc1cccc(Cl)c1C[N@@H+](C)CC(N)=O ZINC000295619790 179108518 /nfs/dbraw/zinc/10/85/18/179108518.db2.gz WFRRRZMGTZAWQB-UHFFFAOYSA-N 1 2 226.707 1.566 20 0 BDADLO CN(CC1(O)CCCC1)c1cc(CO)cc[nH+]1 ZINC000162182460 346514351 /nfs/dbraw/zinc/51/43/51/346514351.db2.gz OMOHUCYODSDHEE-UHFFFAOYSA-N 1 2 236.315 1.315 20 0 BDADLO CCOC(=O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000069908770 349968062 /nfs/dbraw/zinc/96/80/62/349968062.db2.gz JNSIVAWZJWKBAS-IUCAKERBSA-N 1 2 217.334 1.375 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226947 488322139 /nfs/dbraw/zinc/32/21/39/488322139.db2.gz WCWKIEYJUUTVTO-NXEZZACHSA-N 1 2 216.300 1.193 20 0 BDADLO CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226947 488322142 /nfs/dbraw/zinc/32/21/42/488322142.db2.gz WCWKIEYJUUTVTO-NXEZZACHSA-N 1 2 216.300 1.193 20 0 BDADLO CC1(C[NH2+]CC(F)(F)C(F)F)COC1 ZINC000230671459 346729627 /nfs/dbraw/zinc/72/96/27/346729627.db2.gz OXWDPPSLFLAALK-UHFFFAOYSA-N 1 2 215.190 1.513 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1n[nH]c2ccccc12 ZINC000589635494 346720294 /nfs/dbraw/zinc/72/02/94/346720294.db2.gz RZKCNEYKCOZVMW-VIFPVBQESA-N 1 2 246.314 1.177 20 0 BDADLO CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000221621382 346694109 /nfs/dbraw/zinc/69/41/09/346694109.db2.gz KKACXQWGDMCRST-GFCCVEGCSA-N 1 2 222.263 1.319 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2ccccn2)CCO1 ZINC000626174449 346758949 /nfs/dbraw/zinc/75/89/49/346758949.db2.gz RIDXCSVOHKJUMY-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2ccccn2)CCO1 ZINC000626174449 346758952 /nfs/dbraw/zinc/75/89/52/346758952.db2.gz RIDXCSVOHKJUMY-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO Cc1cnc(C)nc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000580658768 365855653 /nfs/dbraw/zinc/85/56/53/365855653.db2.gz KFTFHGLUSSEQSA-JTQLQIEISA-N 1 2 231.303 1.212 20 0 BDADLO CCOC1CN(c2nc(C)[nH+]cc2C)C1 ZINC000580658877 365855797 /nfs/dbraw/zinc/85/57/97/365855797.db2.gz LDJGBTPTOLWTCU-UHFFFAOYSA-N 1 2 207.277 1.319 20 0 BDADLO Cc1cccc(O)c1NC(=O)CCn1cc[nH+]c1 ZINC000352642279 179161262 /nfs/dbraw/zinc/16/12/62/179161262.db2.gz DKRHKRHYYPJQBS-UHFFFAOYSA-N 1 2 245.282 1.926 20 0 BDADLO CC[C@@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000183290154 347123115 /nfs/dbraw/zinc/12/31/15/347123115.db2.gz USRZRCKJQGKZKT-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183290154 347123120 /nfs/dbraw/zinc/12/31/20/347123120.db2.gz USRZRCKJQGKZKT-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@@H]1C ZINC000641828664 362776140 /nfs/dbraw/zinc/77/61/40/362776140.db2.gz ROBCODBKMJVMLR-UWVGGRQHSA-N 1 2 236.319 1.768 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)c1cccc(O)c1 ZINC000184053561 347147221 /nfs/dbraw/zinc/14/72/21/347147221.db2.gz KOGIAXALVNKBPL-MRXNPFEDSA-N 1 2 236.296 1.434 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@H]1C ZINC000641827988 362776266 /nfs/dbraw/zinc/77/62/66/362776266.db2.gz IXPLVBCLWJICPF-SECBINFHSA-N 1 2 222.292 1.207 20 0 BDADLO O=c1cc(Cn2cc[nH+]c2)nc2sccn21 ZINC000010809517 347203704 /nfs/dbraw/zinc/20/37/04/347203704.db2.gz RNMUAQKXHVOJHL-UHFFFAOYSA-N 1 2 232.268 1.001 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)C1CC1 ZINC000632405490 347173270 /nfs/dbraw/zinc/17/32/70/347173270.db2.gz SNDLGUPQFVWYNK-MRVPVSSYSA-N 1 2 243.332 1.046 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000684619677 488334012 /nfs/dbraw/zinc/33/40/12/488334012.db2.gz JXOBIGDPISMEEC-GFCCVEGCSA-N 1 2 237.347 1.565 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+]1CCc2cn[nH]c2C1 ZINC000684619677 488334015 /nfs/dbraw/zinc/33/40/15/488334015.db2.gz JXOBIGDPISMEEC-GFCCVEGCSA-N 1 2 237.347 1.565 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]c3ccncc23)CO1 ZINC000581188241 347272701 /nfs/dbraw/zinc/27/27/01/347272701.db2.gz LTDBWOGWCBUDNB-ZJUUUORDSA-N 1 2 229.283 1.641 20 0 BDADLO CCN1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1=O ZINC000189775643 347310196 /nfs/dbraw/zinc/31/01/96/347310196.db2.gz MIDCBLXODNIIOA-UHFFFAOYSA-N 1 2 246.314 1.288 20 0 BDADLO CC(C)(C(=O)NCC1(C)CCC1)c1c[nH]c[nH+]1 ZINC000684834965 488347609 /nfs/dbraw/zinc/34/76/09/488347609.db2.gz ZSLGSGBFBVWMHE-UHFFFAOYSA-N 1 2 235.331 1.994 20 0 BDADLO Cc1ccoc1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921529 347451181 /nfs/dbraw/zinc/45/11/81/347451181.db2.gz UFRUBFXOVLHGPK-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO Cc1ccoc1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921529 347451183 /nfs/dbraw/zinc/45/11/83/347451183.db2.gz UFRUBFXOVLHGPK-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1CC(F)(F)C1 ZINC000616921854 347451243 /nfs/dbraw/zinc/45/12/43/347451243.db2.gz GANSVJMHUURWFI-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1CC(F)(F)C1 ZINC000616921854 347451247 /nfs/dbraw/zinc/45/12/47/347451247.db2.gz GANSVJMHUURWFI-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]12C[C@H]1CCC2 ZINC000616921655 347451698 /nfs/dbraw/zinc/45/16/98/347451698.db2.gz YSQKPJUYCPUTLJ-BXKDBHETSA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]12C[C@H]1CCC2 ZINC000616921655 347451701 /nfs/dbraw/zinc/45/17/01/347451701.db2.gz YSQKPJUYCPUTLJ-BXKDBHETSA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CCCC1 ZINC000616922190 347452215 /nfs/dbraw/zinc/45/22/15/347452215.db2.gz SKXYPBCIIPUQCM-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CCCC1 ZINC000616922190 347452217 /nfs/dbraw/zinc/45/22/17/347452217.db2.gz SKXYPBCIIPUQCM-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CCO[C@@H]4C[C@@H]43)n21 ZINC000366560071 179231830 /nfs/dbraw/zinc/23/18/30/179231830.db2.gz OKDFYVMCZLUWIN-QWHCGFSZSA-N 1 2 243.310 1.616 20 0 BDADLO COCCC[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927619 347455977 /nfs/dbraw/zinc/45/59/77/347455977.db2.gz MHWSMOMCKQMILE-SNVBAGLBSA-N 1 2 239.319 1.431 20 0 BDADLO COCCC[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927619 347455979 /nfs/dbraw/zinc/45/59/79/347455979.db2.gz MHWSMOMCKQMILE-SNVBAGLBSA-N 1 2 239.319 1.431 20 0 BDADLO Cc1cccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616924841 347456541 /nfs/dbraw/zinc/45/65/41/347456541.db2.gz XZXNGLMVHIGTQG-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO Cc1cccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616924841 347456544 /nfs/dbraw/zinc/45/65/44/347456544.db2.gz XZXNGLMVHIGTQG-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195013952 347439275 /nfs/dbraw/zinc/43/92/75/347439275.db2.gz QDIPXZCXPZFVEI-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ncccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195013952 347439276 /nfs/dbraw/zinc/43/92/76/347439276.db2.gz QDIPXZCXPZFVEI-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cccc2nc(Cn3cc[nH+]c3)cc(=O)n12 ZINC000340549917 179229057 /nfs/dbraw/zinc/22/90/57/179229057.db2.gz NUFSAYZNFPBGFJ-UHFFFAOYSA-N 1 2 240.266 1.248 20 0 BDADLO CCc1c(C(=O)N(C)Cc2c[nH+]c[nH]2)ccn1C ZINC000616929258 347496751 /nfs/dbraw/zinc/49/67/51/347496751.db2.gz WDOUYFKNBRASNF-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO CCc1c(C(=O)N(C)Cc2c[nH]c[nH+]2)ccn1C ZINC000616929258 347496752 /nfs/dbraw/zinc/49/67/52/347496752.db2.gz WDOUYFKNBRASNF-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1ccco1 ZINC000616926416 347457901 /nfs/dbraw/zinc/45/79/01/347457901.db2.gz BGWKWPURKPMTFR-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1ccco1 ZINC000616926416 347457902 /nfs/dbraw/zinc/45/79/02/347457902.db2.gz BGWKWPURKPMTFR-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616927007 347459414 /nfs/dbraw/zinc/45/94/14/347459414.db2.gz YEOAUHCQXSZSJV-NXEZZACHSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616927007 347459415 /nfs/dbraw/zinc/45/94/15/347459415.db2.gz YEOAUHCQXSZSJV-NXEZZACHSA-N 1 2 221.304 1.804 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCc3nc[nH]c3C2)CC1 ZINC000590600398 347480462 /nfs/dbraw/zinc/48/04/62/347480462.db2.gz OMQBPVAWIFMXJK-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCc3nc[nH]c3C2)CC1 ZINC000590600398 347480466 /nfs/dbraw/zinc/48/04/66/347480466.db2.gz OMQBPVAWIFMXJK-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000392626386 347602167 /nfs/dbraw/zinc/60/21/67/347602167.db2.gz GQKQNMILGBJEAY-UHFFFAOYSA-N 1 2 218.260 1.109 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000616977888 347560378 /nfs/dbraw/zinc/56/03/78/347560378.db2.gz PHLRRDRWYJIIFF-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000616977888 347560379 /nfs/dbraw/zinc/56/03/79/347560379.db2.gz PHLRRDRWYJIIFF-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCS[C@H](C)C2)n1 ZINC000590944127 347591500 /nfs/dbraw/zinc/59/15/00/347591500.db2.gz ROYOZXQBPYVVLT-HTQZYQBOSA-N 1 2 227.333 1.876 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCS[C@H](C)C2)n1 ZINC000590944127 347591503 /nfs/dbraw/zinc/59/15/03/347591503.db2.gz ROYOZXQBPYVVLT-HTQZYQBOSA-N 1 2 227.333 1.876 20 0 BDADLO CC1(C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000591151637 347621327 /nfs/dbraw/zinc/62/13/27/347621327.db2.gz OMHXFNBQGNISHQ-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000591129821 347623593 /nfs/dbraw/zinc/62/35/93/347623593.db2.gz MYOKPMJOFDCMLV-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO COC[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC000591161432 347627155 /nfs/dbraw/zinc/62/71/55/347627155.db2.gz KLNDOTWRCMBQSM-NSHDSACASA-N 1 2 239.319 1.062 20 0 BDADLO C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000591174122 347628351 /nfs/dbraw/zinc/62/83/51/347628351.db2.gz ITMMFKMRBGYKNX-LLVKDONJSA-N 1 2 221.304 1.532 20 0 BDADLO CC1(C)C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CO1 ZINC000617049029 347637446 /nfs/dbraw/zinc/63/74/46/347637446.db2.gz YXVYKCWEDJBSPU-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CO1 ZINC000617050502 347640534 /nfs/dbraw/zinc/64/05/34/347640534.db2.gz UWSDXFKRNSQYJE-SNVBAGLBSA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CO1 ZINC000617050502 347640536 /nfs/dbraw/zinc/64/05/36/347640536.db2.gz UWSDXFKRNSQYJE-SNVBAGLBSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636644781 347647376 /nfs/dbraw/zinc/64/73/76/347647376.db2.gz YBXRWPVHLHMDLN-ONGXEEELSA-N 1 2 248.330 1.153 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1nccn1C ZINC000198668359 347658264 /nfs/dbraw/zinc/65/82/64/347658264.db2.gz YUTNXBUVXPWIIB-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1nccn1C ZINC000198668359 347658267 /nfs/dbraw/zinc/65/82/67/347658267.db2.gz YUTNXBUVXPWIIB-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO C[C@H]1c2cccn2CCN1Cc1[nH+]ccn1C ZINC000198668359 347658270 /nfs/dbraw/zinc/65/82/70/347658270.db2.gz YUTNXBUVXPWIIB-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO CCC[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493180651 347607262 /nfs/dbraw/zinc/60/72/62/347607262.db2.gz ANGXAYPDSMROKD-BRAIEQGRSA-N 1 2 237.303 1.354 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+](CC(F)F)C1 ZINC000591055471 347612069 /nfs/dbraw/zinc/61/20/69/347612069.db2.gz USKVKLDWDJSAQY-JTQLQIEISA-N 1 2 221.247 1.527 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(F)F)C1 ZINC000591055471 347612070 /nfs/dbraw/zinc/61/20/70/347612070.db2.gz USKVKLDWDJSAQY-JTQLQIEISA-N 1 2 221.247 1.527 20 0 BDADLO CCn1ncnc1C[N@H+](CC)CCSC ZINC000592202814 347755067 /nfs/dbraw/zinc/75/50/67/347755067.db2.gz SYMHUSLPCJDUOJ-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CCn1ncnc1C[N@@H+](CC)CCSC ZINC000592202814 347755069 /nfs/dbraw/zinc/75/50/69/347755069.db2.gz SYMHUSLPCJDUOJ-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO Cc1ccccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275806143 179282715 /nfs/dbraw/zinc/28/27/15/179282715.db2.gz KUEHIYQKHVNTBX-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO CC[C@H](COC)[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC000592527900 347795618 /nfs/dbraw/zinc/79/56/18/347795618.db2.gz XEALIUXIHQSURD-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO CC[N@H+](CCSC)Cc1cn[nH]c1C ZINC000592530080 347796144 /nfs/dbraw/zinc/79/61/44/347796144.db2.gz VZIRDLBJRKBWDS-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO CC[N@@H+](CCSC)Cc1cn[nH]c1C ZINC000592530080 347796147 /nfs/dbraw/zinc/79/61/47/347796147.db2.gz VZIRDLBJRKBWDS-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO Cn1ccc(C[N@H+](CC(F)F)C2CC2)cc1=O ZINC000592816457 347818373 /nfs/dbraw/zinc/81/83/73/347818373.db2.gz DGFHWDHPEGLYSH-UHFFFAOYSA-N 1 2 242.269 1.615 20 0 BDADLO Cn1ccc(C[N@@H+](CC(F)F)C2CC2)cc1=O ZINC000592816457 347818374 /nfs/dbraw/zinc/81/83/74/347818374.db2.gz DGFHWDHPEGLYSH-UHFFFAOYSA-N 1 2 242.269 1.615 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000577295561 365920063 /nfs/dbraw/zinc/92/00/63/365920063.db2.gz SFEZYNSEDFUUHX-TVYUQYBPSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000577295561 365920066 /nfs/dbraw/zinc/92/00/66/365920066.db2.gz SFEZYNSEDFUUHX-TVYUQYBPSA-N 1 2 247.342 1.893 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](CC(F)F)C[C@H]1C1CC1 ZINC000593128921 347864897 /nfs/dbraw/zinc/86/48/97/347864897.db2.gz LUUQDPOEVLHJJD-DTWKUNHWSA-N 1 2 233.258 1.383 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](CC(F)F)C[C@H]1C1CC1 ZINC000593128921 347864898 /nfs/dbraw/zinc/86/48/98/347864898.db2.gz LUUQDPOEVLHJJD-DTWKUNHWSA-N 1 2 233.258 1.383 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCC1 ZINC000201057247 347867991 /nfs/dbraw/zinc/86/79/91/347867991.db2.gz NMPGOXIYNVOAKM-PLNGDYQASA-N 1 2 205.261 1.435 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)COCC1CC1)C(=O)OC ZINC000593182811 347868949 /nfs/dbraw/zinc/86/89/49/347868949.db2.gz FWQLHVCPRILJDV-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000283617057 179321139 /nfs/dbraw/zinc/32/11/39/179321139.db2.gz AJPBCCHQWWRTCJ-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@]1(C)CCCC[C@@H]1O ZINC000577389328 365942685 /nfs/dbraw/zinc/94/26/85/365942685.db2.gz ZGOGJEIQRORAHN-GXTWGEPZSA-N 1 2 249.358 1.868 20 0 BDADLO O=S1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000593571356 347912413 /nfs/dbraw/zinc/91/24/13/347912413.db2.gz GCQBKZKQYVWCJQ-UHFFFAOYSA-N 1 2 249.379 1.740 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(F)F ZINC000577412286 365950554 /nfs/dbraw/zinc/95/05/54/365950554.db2.gz NEJMRZCVSKAAFE-VXNVDRBHSA-N 1 2 245.273 1.748 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(F)F ZINC000577412286 365950557 /nfs/dbraw/zinc/95/05/57/365950557.db2.gz NEJMRZCVSKAAFE-VXNVDRBHSA-N 1 2 245.273 1.748 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027729 347992268 /nfs/dbraw/zinc/99/22/68/347992268.db2.gz ZCPUGHOPILZTBO-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027729 347992269 /nfs/dbraw/zinc/99/22/69/347992269.db2.gz ZCPUGHOPILZTBO-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO CSCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000594211745 348022251 /nfs/dbraw/zinc/02/22/51/348022251.db2.gz OATAKCYZDSVTGF-UHFFFAOYSA-N 1 2 249.339 1.736 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1C[C@H](OCC)C1)C(=O)OC ZINC000594722448 348107464 /nfs/dbraw/zinc/10/74/64/348107464.db2.gz QEDUCVCRIQCURQ-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000594935032 348141451 /nfs/dbraw/zinc/14/14/51/348141451.db2.gz AZRNKZYJYRHIQV-XLPZGREQSA-N 1 2 233.258 1.571 20 0 BDADLO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000594961449 348151591 /nfs/dbraw/zinc/15/15/91/348151591.db2.gz NMUCWMQYEZGLTK-ZXLZKYRFSA-N 1 2 241.360 1.189 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cnc(C)cc1C ZINC000397091446 362853076 /nfs/dbraw/zinc/85/30/76/362853076.db2.gz KCSOUZMEOBESFH-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493293997 259401225 /nfs/dbraw/zinc/40/12/25/259401225.db2.gz VQHXUMCHEFLFOY-AIYRYJHASA-N 1 2 247.220 1.738 20 0 BDADLO Cc1cccnc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000093188960 179375810 /nfs/dbraw/zinc/37/58/10/179375810.db2.gz HCTCQCHFAXVYMT-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000093188960 179375811 /nfs/dbraw/zinc/37/58/11/179375811.db2.gz HCTCQCHFAXVYMT-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CC1CCCCCC1 ZINC000595530893 348273161 /nfs/dbraw/zinc/27/31/61/348273161.db2.gz ARZFXPHXRXHEAW-ZDUSSCGKSA-N 1 2 243.347 1.470 20 0 BDADLO COC(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000595613617 348288234 /nfs/dbraw/zinc/28/82/34/348288234.db2.gz BMEFDVJMVMXGQR-UHFFFAOYSA-N 1 2 223.272 1.632 20 0 BDADLO CC[C@H](CN1CC[N@H+](CC)C[C@H]1CC)OC ZINC000419283174 192121853 /nfs/dbraw/zinc/12/18/53/192121853.db2.gz LGXYITDPRQWPEI-CHWSQXEVSA-N 1 2 228.380 1.828 20 0 BDADLO CC[C@H](CN1CC[N@@H+](CC)C[C@H]1CC)OC ZINC000419283174 192121854 /nfs/dbraw/zinc/12/18/54/192121854.db2.gz LGXYITDPRQWPEI-CHWSQXEVSA-N 1 2 228.380 1.828 20 0 BDADLO CC[C@H](O)C[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595704247 348308426 /nfs/dbraw/zinc/30/84/26/348308426.db2.gz JZLWJJCHQUVJRR-GVXVVHGQSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccncc1 ZINC000595676102 348310319 /nfs/dbraw/zinc/31/03/19/348310319.db2.gz XUUDSJMRAFWBIT-UHFFFAOYSA-N 1 2 232.283 1.219 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccncc1 ZINC000595676102 348310322 /nfs/dbraw/zinc/31/03/22/348310322.db2.gz XUUDSJMRAFWBIT-UHFFFAOYSA-N 1 2 232.283 1.219 20 0 BDADLO Cc1cccnc1NC(=O)NCc1[nH+]ccn1C ZINC000264048540 179391863 /nfs/dbraw/zinc/39/18/63/179391863.db2.gz HIQJKTRLWUMXRG-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+][C@@H]1C=CCCC1 ZINC000595769510 348335517 /nfs/dbraw/zinc/33/55/17/348335517.db2.gz MXMIIGUDZAWPSV-ZYHUDNBSSA-N 1 2 229.295 1.976 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000595773237 348337363 /nfs/dbraw/zinc/33/73/63/348337363.db2.gz DIMVYZSXDIRVQX-FOGDFJRCSA-N 1 2 247.310 1.435 20 0 BDADLO CC(C)(C)OC(=O)[C@]1([NH2+]CC2CC2)CCOC1 ZINC000595744518 348339310 /nfs/dbraw/zinc/33/93/10/348339310.db2.gz QVVMPGUQAWHVRS-ZDUSSCGKSA-N 1 2 241.331 1.487 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CC1=CCSC1 ZINC000595888386 348389433 /nfs/dbraw/zinc/38/94/33/348389433.db2.gz LCOBDQKRQUMFFE-SECBINFHSA-N 1 2 229.345 1.543 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CC1=CCSC1 ZINC000595888386 348389437 /nfs/dbraw/zinc/38/94/37/348389437.db2.gz LCOBDQKRQUMFFE-SECBINFHSA-N 1 2 229.345 1.543 20 0 BDADLO COC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC000334738846 133745473 /nfs/dbraw/zinc/74/54/73/133745473.db2.gz ARLAGWZKQSZEAJ-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCc2cc[nH]n2)c1 ZINC000596077088 348438777 /nfs/dbraw/zinc/43/87/77/348438777.db2.gz HDDWKHJAHFUOPS-UHFFFAOYSA-N 1 2 246.270 1.132 20 0 BDADLO OCC1(C[N@@H+](CC(F)F)CC2CCC2)COC1 ZINC000535619262 323187192 /nfs/dbraw/zinc/18/71/92/323187192.db2.gz AKWJHHCXZMNYMB-UHFFFAOYSA-N 1 2 249.301 1.363 20 0 BDADLO CO[C@@H]1CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000076343616 323188973 /nfs/dbraw/zinc/18/89/73/323188973.db2.gz BNUYECWZMAHBMU-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CO[C@@H]1CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000076343616 323188974 /nfs/dbraw/zinc/18/89/74/323188974.db2.gz BNUYECWZMAHBMU-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000082720480 348540427 /nfs/dbraw/zinc/54/04/27/348540427.db2.gz NIGYNRNWACNGFL-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000082720480 348540433 /nfs/dbraw/zinc/54/04/33/348540433.db2.gz NIGYNRNWACNGFL-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2CC1(C)C2 ZINC000621218092 348528060 /nfs/dbraw/zinc/52/80/60/348528060.db2.gz TZXQGNFLMCJHKH-TTXORMCVSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2CC1(C)C2 ZINC000621218092 348528061 /nfs/dbraw/zinc/52/80/61/348528061.db2.gz TZXQGNFLMCJHKH-TTXORMCVSA-N 1 2 233.315 1.599 20 0 BDADLO COC(=O)[C@H]1C[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC000596533038 348570094 /nfs/dbraw/zinc/57/00/94/348570094.db2.gz IHPFEFGSWHHZTA-AOOOYVTPSA-N 1 2 235.287 1.173 20 0 BDADLO COCC[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000082784069 348719718 /nfs/dbraw/zinc/71/97/18/348719718.db2.gz IXQAMXROSYALCI-VHSXEESVSA-N 1 2 231.336 1.731 20 0 BDADLO CCOC(=O)CCN(C)c1cc[nH+]c(C)n1 ZINC000054937412 348846782 /nfs/dbraw/zinc/84/67/82/348846782.db2.gz KZHNPLPMQDWKKW-UHFFFAOYSA-N 1 2 223.276 1.174 20 0 BDADLO CCc1cc(NC[C@]2(OC)CCOC2)nc[nH+]1 ZINC000123130679 490199565 /nfs/dbraw/zinc/19/95/65/490199565.db2.gz PZWRFFDDYDFBRX-GFCCVEGCSA-N 1 2 237.303 1.256 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421737886 192377547 /nfs/dbraw/zinc/37/75/47/192377547.db2.gz OBDWUIGBNXRXAG-XQQFMLRXSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@H](NC(=O)CSC1CC1)c1[nH+]ccn1C ZINC000598465739 348978198 /nfs/dbraw/zinc/97/81/98/348978198.db2.gz SXJOBQQBTDIXPE-QMMMGPOBSA-N 1 2 239.344 1.493 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1nccnc1C ZINC000598677541 349021416 /nfs/dbraw/zinc/02/14/16/349021416.db2.gz YGHSJEFUMKUOID-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1nccnc1C ZINC000598677541 349021420 /nfs/dbraw/zinc/02/14/20/349021420.db2.gz YGHSJEFUMKUOID-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO O[C@@]1(CCNc2cccc[nH+]2)CCOC1 ZINC000404154451 490225295 /nfs/dbraw/zinc/22/52/95/490225295.db2.gz SARXWFDSTZYNHI-NSHDSACASA-N 1 2 208.261 1.035 20 0 BDADLO COCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421814412 192388229 /nfs/dbraw/zinc/38/82/29/192388229.db2.gz QSBWBJFCGKJVLS-UHFFFAOYSA-N 1 2 237.303 1.144 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)F ZINC000599301527 349141999 /nfs/dbraw/zinc/14/19/99/349141999.db2.gz JFAQMIKHZAHJCT-SSDOTTSWSA-N 1 2 224.226 1.149 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)F ZINC000599301527 349142002 /nfs/dbraw/zinc/14/20/02/349142002.db2.gz JFAQMIKHZAHJCT-SSDOTTSWSA-N 1 2 224.226 1.149 20 0 BDADLO COC(=O)[C@]1([NH2+]C[C@@H](C)O)CCCC(C)(C)C1 ZINC000599557132 349217272 /nfs/dbraw/zinc/21/72/72/349217272.db2.gz YCWUQPZJHCWSKT-MFKMUULPSA-N 1 2 243.347 1.469 20 0 BDADLO C[C@@H](CO)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599650235 349234722 /nfs/dbraw/zinc/23/47/22/349234722.db2.gz PZLHDTHCHFQTEN-SECBINFHSA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646492 349240128 /nfs/dbraw/zinc/24/01/28/349240128.db2.gz LBQYEJVOTJNBFE-JTQLQIEISA-N 1 2 249.310 1.702 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646492 349240131 /nfs/dbraw/zinc/24/01/31/349240131.db2.gz LBQYEJVOTJNBFE-JTQLQIEISA-N 1 2 249.310 1.702 20 0 BDADLO CCOC(=O)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599512603 349204301 /nfs/dbraw/zinc/20/43/01/349204301.db2.gz LGDWJFHHBZMQCV-RKDXNWHRSA-N 1 2 235.274 1.773 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000600108445 349288824 /nfs/dbraw/zinc/28/88/24/349288824.db2.gz XNAQFFVBFAABRD-SNVBAGLBSA-N 1 2 237.303 1.021 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000600108445 349288826 /nfs/dbraw/zinc/28/88/26/349288826.db2.gz XNAQFFVBFAABRD-SNVBAGLBSA-N 1 2 237.303 1.021 20 0 BDADLO COC(=O)[C@@H]1CCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000600108445 349288828 /nfs/dbraw/zinc/28/88/28/349288828.db2.gz XNAQFFVBFAABRD-SNVBAGLBSA-N 1 2 237.303 1.021 20 0 BDADLO COC[C@H]([NH2+]Cc1nnsc1Cl)C1CC1 ZINC000309060813 323221140 /nfs/dbraw/zinc/22/11/40/323221140.db2.gz WNFUTDFNGDXEMX-QMMMGPOBSA-N 1 2 247.751 1.706 20 0 BDADLO Cc1[nH]c(C(=O)NCCCC(F)(F)F)c[nH+]1 ZINC000266566984 179883580 /nfs/dbraw/zinc/88/35/80/179883580.db2.gz WVKBKQTVSZIDPV-UHFFFAOYSA-N 1 2 235.209 1.790 20 0 BDADLO Cc1ncc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)[nH]1 ZINC000278668460 179890226 /nfs/dbraw/zinc/89/02/26/179890226.db2.gz PRXOTPHKBYGARC-JTQLQIEISA-N 1 2 247.302 1.568 20 0 BDADLO Nc1nc(NCCF)[nH+]c2ccccc12 ZINC000309017411 349305090 /nfs/dbraw/zinc/30/50/90/349305090.db2.gz VBYPUPRUPKEMMC-UHFFFAOYSA-N 1 2 206.224 1.593 20 0 BDADLO Cc1ccnc(NCCCCn2cc[nH+]c2)n1 ZINC000061859405 349398310 /nfs/dbraw/zinc/39/83/10/349398310.db2.gz HBVIBXKFQRZUBT-UHFFFAOYSA-N 1 2 231.303 1.874 20 0 BDADLO C[N@H+](CCCn1cc[nH+]c1)C(C)(C)C(=O)[O-] ZINC000061171711 349363897 /nfs/dbraw/zinc/36/38/97/349363897.db2.gz TUBPTAGFMUZMBF-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO C[N@@H+](CCCn1cc[nH+]c1)C(C)(C)C(=O)[O-] ZINC000061171711 349363901 /nfs/dbraw/zinc/36/39/01/349363901.db2.gz TUBPTAGFMUZMBF-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO Cc1nc(Nc2cn[nH]c2)c(C)c(C)[nH+]1 ZINC000301448723 179909496 /nfs/dbraw/zinc/90/94/96/179909496.db2.gz RREGCTCMGMBSND-UHFFFAOYSA-N 1 2 203.249 1.869 20 0 BDADLO CCn1cc(CN(C)c2cc(C)[nH+]cn2)cn1 ZINC000603705582 350015907 /nfs/dbraw/zinc/01/59/07/350015907.db2.gz TUXSNPGQQCRIKX-UHFFFAOYSA-N 1 2 231.303 1.638 20 0 BDADLO Cc1nc(C[NH+]2CCC(CCCO)CC2)no1 ZINC000330803583 179952467 /nfs/dbraw/zinc/95/24/67/179952467.db2.gz KKBCKWJNXRZTFB-UHFFFAOYSA-N 1 2 239.319 1.363 20 0 BDADLO CC[C@H]([NH2+]Cc1nncn1C)c1ccc(F)cn1 ZINC000161322976 349421668 /nfs/dbraw/zinc/42/16/68/349421668.db2.gz VMQBEKIWNLBGGR-JTQLQIEISA-N 1 2 249.293 1.590 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)OCC1CC1 ZINC000603813473 350037228 /nfs/dbraw/zinc/03/72/28/350037228.db2.gz RTAOMGUNFHOZGC-SNVBAGLBSA-N 1 2 248.326 1.820 20 0 BDADLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000603917463 350053153 /nfs/dbraw/zinc/05/31/53/350053153.db2.gz ZXFCKPABVSMJAP-UHFFFAOYSA-N 1 2 241.294 1.889 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H]([C@@H](C)O)C2)[nH+]1 ZINC000355560468 180003355 /nfs/dbraw/zinc/00/33/55/180003355.db2.gz CAKANDFWSDAOOB-SCZZXKLOSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C)sc1C ZINC000299526198 180010864 /nfs/dbraw/zinc/01/08/64/180010864.db2.gz RIUUVQRZVJSAFD-VIFPVBQESA-N 1 2 239.344 1.793 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C)sc1C ZINC000299526198 180010866 /nfs/dbraw/zinc/01/08/66/180010866.db2.gz RIUUVQRZVJSAFD-VIFPVBQESA-N 1 2 239.344 1.793 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC[C@H](C)O)[nH+]1 ZINC000309940396 180018990 /nfs/dbraw/zinc/01/89/90/180018990.db2.gz BLNRHICEXRILCP-ZETCQYMHSA-N 1 2 220.276 1.449 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCCOC(C)(C)C2)no1 ZINC000368122378 180034829 /nfs/dbraw/zinc/03/48/29/180034829.db2.gz IUDFOWFSWVAJCX-SECBINFHSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCCOC(C)(C)C2)no1 ZINC000368122378 180034832 /nfs/dbraw/zinc/03/48/32/180034832.db2.gz IUDFOWFSWVAJCX-SECBINFHSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)no1 ZINC000329819447 180035306 /nfs/dbraw/zinc/03/53/06/180035306.db2.gz GOBZSRIYYQTORS-RKDXNWHRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCOC[C@H](C)C2)no1 ZINC000329819447 180035307 /nfs/dbraw/zinc/03/53/07/180035307.db2.gz GOBZSRIYYQTORS-RKDXNWHRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)no1 ZINC000329177125 180045876 /nfs/dbraw/zinc/04/58/76/180045876.db2.gz CDNYGAOBNVQDHN-RYUDHWBXSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc([C@@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)no1 ZINC000329177125 180045878 /nfs/dbraw/zinc/04/58/78/180045878.db2.gz CDNYGAOBNVQDHN-RYUDHWBXSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCS(C)(=O)=O)cs1 ZINC000037740804 180049575 /nfs/dbraw/zinc/04/95/75/180049575.db2.gz HWLJOAPTRFGKPD-ZETCQYMHSA-N 1 2 248.373 1.147 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)no1 ZINC000336739919 180050493 /nfs/dbraw/zinc/05/04/93/180050493.db2.gz LUQSPRBPHORUCA-NRPADANISA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)no1 ZINC000329849658 180051048 /nfs/dbraw/zinc/05/10/48/180051048.db2.gz PZWNKPDHZFDXEZ-SWPVVBRQSA-N 1 2 237.303 1.596 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)no1 ZINC000336739921 180051774 /nfs/dbraw/zinc/05/17/74/180051774.db2.gz LUQSPRBPHORUCA-WEDXCCLWSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc(NCC(=O)N(C)C)c2c([nH+]1)CCCC2 ZINC000268030354 180068965 /nfs/dbraw/zinc/06/89/65/180068965.db2.gz YSCNDQLPIQFYDX-UHFFFAOYSA-N 1 2 248.330 1.164 20 0 BDADLO Cc1nc(NC[C@@H](C)CO)c2c([nH+]1)CCCC2 ZINC000272860265 180070728 /nfs/dbraw/zinc/07/07/28/180070728.db2.gz LVKLTSOSEATGOP-SECBINFHSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1cccnc1C)C2 ZINC000371330609 180113515 /nfs/dbraw/zinc/11/35/15/180113515.db2.gz CDIFLQZRJVPSSR-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1cccnc1C)C2 ZINC000371330609 180113518 /nfs/dbraw/zinc/11/35/18/180113518.db2.gz CDIFLQZRJVPSSR-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000035128049 191046602 /nfs/dbraw/zinc/04/66/02/191046602.db2.gz GNKUHYBYCGXXBA-UHFFFAOYSA-N 1 2 229.283 1.783 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)CC2CC2)c[nH+]1 ZINC000331670184 180132106 /nfs/dbraw/zinc/13/21/06/180132106.db2.gz NTIHCTNKIVWDGU-ZETCQYMHSA-N 1 2 207.277 1.637 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](CF)C2)s1 ZINC000336280006 180143654 /nfs/dbraw/zinc/14/36/54/180143654.db2.gz LHHSSTNPENGDNN-VIFPVBQESA-N 1 2 230.308 1.622 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](CF)C2)s1 ZINC000336280006 180143656 /nfs/dbraw/zinc/14/36/56/180143656.db2.gz LHHSSTNPENGDNN-VIFPVBQESA-N 1 2 230.308 1.622 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1sccc1F ZINC000335933813 180122047 /nfs/dbraw/zinc/12/20/47/180122047.db2.gz XPCJEGCCGRLZFA-UHFFFAOYSA-N 1 2 239.275 1.849 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2nncn2C)s1 ZINC000037797345 180154439 /nfs/dbraw/zinc/15/44/39/180154439.db2.gz OROCNUITDYYGLH-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO CC(C)COc1ccc(CCNC(N)=[NH2+])cc1 ZINC000107035247 191068818 /nfs/dbraw/zinc/06/88/18/191068818.db2.gz ONNHNYPTTLGAHV-UHFFFAOYSA-N 1 2 235.331 1.747 20 0 BDADLO Cc1ncc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000338271411 180145340 /nfs/dbraw/zinc/14/53/40/180145340.db2.gz LTKZFSLOGVALAK-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO CN1CC[C@H]([N@@H+]2CCOc3ccccc3C2)C1=O ZINC000604758610 350183940 /nfs/dbraw/zinc/18/39/40/350183940.db2.gz DKHYHTSFQIIETA-LBPRGKRZSA-N 1 2 246.310 1.112 20 0 BDADLO CN1CC[C@H]([N@H+]2CCOc3ccccc3C2)C1=O ZINC000604758610 350183941 /nfs/dbraw/zinc/18/39/41/350183941.db2.gz DKHYHTSFQIIETA-LBPRGKRZSA-N 1 2 246.310 1.112 20 0 BDADLO COc1ccccc1[C@H](CO)NCc1[nH]cc[nH+]1 ZINC000604770415 350186336 /nfs/dbraw/zinc/18/63/36/350186336.db2.gz YAUIFACBVBVCDM-NSHDSACASA-N 1 2 247.298 1.242 20 0 BDADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ncc[nH]1 ZINC000604770415 350186338 /nfs/dbraw/zinc/18/63/38/350186338.db2.gz YAUIFACBVBVCDM-NSHDSACASA-N 1 2 247.298 1.242 20 0 BDADLO Cc1nc(N2CCOC[C@@H](C)C2)cc[nH+]1 ZINC000362175842 180193639 /nfs/dbraw/zinc/19/36/39/180193639.db2.gz DOIBTRJFLFMGJQ-VIFPVBQESA-N 1 2 207.277 1.258 20 0 BDADLO Cc1nc(N2CCOC[C@H](C)C2)cc[nH+]1 ZINC000362175841 180195374 /nfs/dbraw/zinc/19/53/74/180195374.db2.gz DOIBTRJFLFMGJQ-SECBINFHSA-N 1 2 207.277 1.258 20 0 BDADLO Cc1nc(NCC2([S@@](C)=O)CCC2)cc[nH+]1 ZINC000280502748 180198626 /nfs/dbraw/zinc/19/86/26/180198626.db2.gz CEPXKLDSIFNJQT-MRXNPFEDSA-N 1 2 239.344 1.498 20 0 BDADLO Cc1nc(NCCC(=O)NC(C)C)cc[nH+]1 ZINC000157326455 180198731 /nfs/dbraw/zinc/19/87/31/180198731.db2.gz ZJQCSPFEVPXQHO-UHFFFAOYSA-N 1 2 222.292 1.112 20 0 BDADLO Cc1nc(NCC2(O)CCCC2)cc[nH+]1 ZINC000083466727 180199560 /nfs/dbraw/zinc/19/95/60/180199560.db2.gz RQFSJKBFTMWPDL-UHFFFAOYSA-N 1 2 207.277 1.502 20 0 BDADLO Cc1nc(NC[C@@H]2CCSC2)cc[nH+]1 ZINC000228581151 180199914 /nfs/dbraw/zinc/19/99/14/180199914.db2.gz NCCFCTBKMKPCQM-VIFPVBQESA-N 1 2 209.318 1.950 20 0 BDADLO Cc1nc(NC[C@@H](O)c2ccsc2)cc[nH+]1 ZINC000078296440 180200500 /nfs/dbraw/zinc/20/05/00/180200500.db2.gz AIDPLYDEPPNGLT-SNVBAGLBSA-N 1 2 235.312 1.992 20 0 BDADLO Cc1nc(N[C@@H]2C=C[C@H](CO)C2)cc[nH+]1 ZINC000175049238 180202451 /nfs/dbraw/zinc/20/24/51/180202451.db2.gz DDVCKBGWWNDKMS-VHSXEESVSA-N 1 2 205.261 1.134 20 0 BDADLO Cc1nc(N[C@@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000266277754 180202839 /nfs/dbraw/zinc/20/28/39/180202839.db2.gz SOACRBJZVBNDNC-QMMMGPOBSA-N 1 2 217.276 1.692 20 0 BDADLO Cc1nc(N[C@H](C(C)C)C(C)(C)O)cc[nH+]1 ZINC000336721902 180205999 /nfs/dbraw/zinc/20/59/99/180205999.db2.gz ANPWOEPMRUNESM-LLVKDONJSA-N 1 2 223.320 1.992 20 0 BDADLO Cc1nc(N[C@H](C)CC[S@@](C)=O)cc[nH+]1 ZINC000130268377 180206028 /nfs/dbraw/zinc/20/60/28/180206028.db2.gz PIXCZIAOONOXSK-GLEZIHRCSA-N 1 2 227.333 1.354 20 0 BDADLO Cc1nc2n(n1)C[C@@H](Nc1cc[nH+]c(C)n1)CC2 ZINC000360997806 180207727 /nfs/dbraw/zinc/20/77/27/180207727.db2.gz NYJVNAJIMMBQJU-JTQLQIEISA-N 1 2 244.302 1.112 20 0 BDADLO Cc1nccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000376019823 180183525 /nfs/dbraw/zinc/18/35/25/180183525.db2.gz CFMDINGMGPAXHP-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccnc1C ZINC000267082054 180213509 /nfs/dbraw/zinc/21/35/09/180213509.db2.gz CKIYSUYOAHANAF-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1ncccc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000352741004 180217417 /nfs/dbraw/zinc/21/74/17/180217417.db2.gz BIUXHHRYRIMIIG-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCn2ccnc2C1 ZINC000336315182 180221407 /nfs/dbraw/zinc/22/14/07/180221407.db2.gz FWYPNZLHFIQGPS-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1ncccc1C[N@H+]1CCn2ccnc2C1 ZINC000336315182 180221410 /nfs/dbraw/zinc/22/14/10/180221410.db2.gz FWYPNZLHFIQGPS-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOCC1(C)C ZINC000049981325 350274207 /nfs/dbraw/zinc/27/42/07/350274207.db2.gz GVFOHUWYTWRGIJ-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOCC1(C)C ZINC000049981325 350274210 /nfs/dbraw/zinc/27/42/10/350274210.db2.gz GVFOHUWYTWRGIJ-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nccnc1NCCCn1cc[nH+]c1 ZINC000214400547 180278815 /nfs/dbraw/zinc/27/88/15/180278815.db2.gz QAIHVFDCIHBWQO-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cnoc1 ZINC000606360376 350318534 /nfs/dbraw/zinc/31/85/34/350318534.db2.gz MZLOZUISFVGEPT-SECBINFHSA-N 1 2 209.249 1.097 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cnoc1 ZINC000606360376 350318539 /nfs/dbraw/zinc/31/85/39/350318539.db2.gz MZLOZUISFVGEPT-SECBINFHSA-N 1 2 209.249 1.097 20 0 BDADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(N)=O ZINC000606449431 350339101 /nfs/dbraw/zinc/33/91/01/350339101.db2.gz WITZDTFEFGLNOA-MRVPVSSYSA-N 1 2 222.263 1.230 20 0 BDADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(N)=O ZINC000606449431 350339105 /nfs/dbraw/zinc/33/91/05/350339105.db2.gz WITZDTFEFGLNOA-MRVPVSSYSA-N 1 2 222.263 1.230 20 0 BDADLO Cc1ncoc1C(=O)NCCNc1cccc[nH+]1 ZINC000358282517 180299268 /nfs/dbraw/zinc/29/92/68/180299268.db2.gz AKZOYMXFYKXIFH-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCOCC2)s1 ZINC000335206541 538090004 /nfs/dbraw/zinc/09/00/04/538090004.db2.gz OCFDKRXAUVDAPX-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO Cc1cnc(C[N@H+]2CCCOCC2)s1 ZINC000335206541 538090011 /nfs/dbraw/zinc/09/00/11/538090011.db2.gz OCFDKRXAUVDAPX-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO Cc1nc(C(=O)Nc2ccc3[nH+]ccn3c2)c[nH]1 ZINC000606533328 350355919 /nfs/dbraw/zinc/35/59/19/350355919.db2.gz UWYIUJQTHJEYME-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606540432 350357099 /nfs/dbraw/zinc/35/70/99/350357099.db2.gz NVEKIELOABEWLZ-VIFPVBQESA-N 1 2 236.290 1.491 20 0 BDADLO CNC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606540432 350357101 /nfs/dbraw/zinc/35/71/01/350357101.db2.gz NVEKIELOABEWLZ-VIFPVBQESA-N 1 2 236.290 1.491 20 0 BDADLO Cc1ncsc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290964700 180303055 /nfs/dbraw/zinc/30/30/55/180303055.db2.gz SCHCDRYFDSBQFF-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO COCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582801 350373179 /nfs/dbraw/zinc/37/31/79/350373179.db2.gz DPWZOMIWDAXOHH-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@]12C[C@H]1CCC2 ZINC000617213637 350383263 /nfs/dbraw/zinc/38/32/63/350383263.db2.gz JYWDKRZFYLOLQX-BXKDBHETSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@]12C[C@H]1CCC2 ZINC000617213637 350383266 /nfs/dbraw/zinc/38/32/66/350383266.db2.gz JYWDKRZFYLOLQX-BXKDBHETSA-N 1 2 219.288 1.401 20 0 BDADLO CC(C)(NC(=O)c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000563966055 323334958 /nfs/dbraw/zinc/33/49/58/323334958.db2.gz JTGMPDDJYYCPOQ-UHFFFAOYSA-N 1 2 218.260 1.403 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427988058 191103959 /nfs/dbraw/zinc/10/39/59/191103959.db2.gz BWTZEDIUNUCDQH-SRVKXCTJSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1c[nH]c(CN2CC3(CC(F)C3)C2)[nH+]1 ZINC000628307030 350442291 /nfs/dbraw/zinc/44/22/91/350442291.db2.gz JPRZCDDAMGCAJG-UHFFFAOYSA-N 1 2 209.268 1.652 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000345356718 180375778 /nfs/dbraw/zinc/37/57/78/180375778.db2.gz OPYYZQXSVZLSCF-CABZTGNLSA-N 1 2 245.330 1.721 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000127776150 490558503 /nfs/dbraw/zinc/55/85/03/490558503.db2.gz BYEPFBZGBARQPA-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000127776150 490558506 /nfs/dbraw/zinc/55/85/06/490558506.db2.gz BYEPFBZGBARQPA-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cn(C)nc2C)n1C ZINC000341005431 180378707 /nfs/dbraw/zinc/37/87/07/180378707.db2.gz FIJBNTMVFHFOBY-SNVBAGLBSA-N 1 2 247.346 1.621 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)c2cn(C)nc2C)n1C ZINC000341005431 180378710 /nfs/dbraw/zinc/37/87/10/180378710.db2.gz FIJBNTMVFHFOBY-SNVBAGLBSA-N 1 2 247.346 1.621 20 0 BDADLO O=C(NCC1CC=CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637361715 350484951 /nfs/dbraw/zinc/48/49/51/350484951.db2.gz NICGAOBMPLYIPC-LLVKDONJSA-N 1 2 246.314 1.073 20 0 BDADLO CC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000050991877 350510374 /nfs/dbraw/zinc/51/03/74/350510374.db2.gz SYOCLXCSODHBIU-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO CC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000336780725 350511142 /nfs/dbraw/zinc/51/11/42/350511142.db2.gz RVPLEOWZSBXAPU-SNVBAGLBSA-N 1 2 221.304 1.267 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000163005051 350493586 /nfs/dbraw/zinc/49/35/86/350493586.db2.gz WNLBWMMINAYFCY-SCVCMEIPSA-N 1 2 249.310 1.702 20 0 BDADLO COc1ccc(N[C@H](C)c2[nH+]ccn2C)cn1 ZINC000070443225 350533540 /nfs/dbraw/zinc/53/35/40/350533540.db2.gz CGYRIPLWUUIENX-SECBINFHSA-N 1 2 232.287 1.997 20 0 BDADLO CCCC[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000337239883 350565103 /nfs/dbraw/zinc/56/51/03/350565103.db2.gz ZXMZIGUPRATATA-LBPRGKRZSA-N 1 2 242.363 1.261 20 0 BDADLO CCCC[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000337449623 350586384 /nfs/dbraw/zinc/58/63/84/350586384.db2.gz HGYJWLSBQIKKHD-VIFPVBQESA-N 1 2 222.288 1.974 20 0 BDADLO CC(=O)c1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000016970374 362971590 /nfs/dbraw/zinc/97/15/90/362971590.db2.gz KKZGFRCTYVJLJW-UHFFFAOYSA-N 1 2 220.272 1.389 20 0 BDADLO COCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606899166 350626059 /nfs/dbraw/zinc/62/60/59/350626059.db2.gz FAEBSDHMZGZBBM-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO COCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606899166 350626061 /nfs/dbraw/zinc/62/60/61/350626061.db2.gz FAEBSDHMZGZBBM-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO FC(F)(F)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000606899830 350626282 /nfs/dbraw/zinc/62/62/82/350626282.db2.gz JZSZBDGBIPNABG-ZETCQYMHSA-N 1 2 235.209 1.173 20 0 BDADLO CCOCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936531 350629620 /nfs/dbraw/zinc/62/96/20/350629620.db2.gz JURUISJQQMKKOS-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO CCOCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936531 350629622 /nfs/dbraw/zinc/62/96/22/350629622.db2.gz JURUISJQQMKKOS-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000336279746 180471616 /nfs/dbraw/zinc/47/16/16/180471616.db2.gz SYNFGZADIRLKPT-JTQLQIEISA-N 1 2 228.267 1.462 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000336279746 180471617 /nfs/dbraw/zinc/47/16/17/180471617.db2.gz SYNFGZADIRLKPT-JTQLQIEISA-N 1 2 228.267 1.462 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000191637957 538099129 /nfs/dbraw/zinc/09/91/29/538099129.db2.gz XRGOIQDZXDBLMS-NRPADANISA-N 1 2 211.309 1.792 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2ccncc2F)[nH]1 ZINC000338364308 350681797 /nfs/dbraw/zinc/68/17/97/350681797.db2.gz FCEPFQJLKZXNSZ-MRVPVSSYSA-N 1 2 249.293 1.752 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@H]2CCO)nc[nH+]1 ZINC000302430177 191120070 /nfs/dbraw/zinc/12/00/70/191120070.db2.gz KWVJFELELCCWDX-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO CC[C@@H](Nc1ncccn1)c1[nH]cc[nH+]1 ZINC000125222147 350731134 /nfs/dbraw/zinc/73/11/34/350731134.db2.gz JUAVUTYBTGFFNK-MRVPVSSYSA-N 1 2 203.249 1.763 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncnn2C)CCS1 ZINC000177356708 365995283 /nfs/dbraw/zinc/99/52/83/365995283.db2.gz WCDDSPBDBRZMLN-SECBINFHSA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncnn2C)CCS1 ZINC000177356708 365995289 /nfs/dbraw/zinc/99/52/89/365995289.db2.gz WCDDSPBDBRZMLN-SECBINFHSA-N 1 2 226.349 1.143 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)(C)C)[C@@H](C)CO ZINC000339620619 350768509 /nfs/dbraw/zinc/76/85/09/350768509.db2.gz AXFFEPNBDHHBOZ-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)(C)C)[C@@H](C)CO ZINC000339620619 350768511 /nfs/dbraw/zinc/76/85/11/350768511.db2.gz AXFFEPNBDHHBOZ-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cn3ccsc3n2)o1 ZINC000397992629 362982113 /nfs/dbraw/zinc/98/21/13/362982113.db2.gz QHZLKGGCDNBKGW-UHFFFAOYSA-N 1 2 248.311 1.982 20 0 BDADLO Cc1c[nH]c(CN2CC(F)(F)C(F)(F)C2)[nH+]1 ZINC000628308261 350783356 /nfs/dbraw/zinc/78/33/56/350783356.db2.gz DMLSOVNANTVPFU-UHFFFAOYSA-N 1 2 237.200 1.804 20 0 BDADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1cccs1 ZINC000336671288 350868093 /nfs/dbraw/zinc/86/80/93/350868093.db2.gz AKECJAMYGVNJHH-SSDOTTSWSA-N 1 2 238.316 1.813 20 0 BDADLO CCNC(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051965962 350828376 /nfs/dbraw/zinc/82/83/76/350828376.db2.gz YLRHFKXEUFOPRB-UHFFFAOYSA-N 1 2 236.315 1.689 20 0 BDADLO CCNC(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000051965962 350828380 /nfs/dbraw/zinc/82/83/80/350828380.db2.gz YLRHFKXEUFOPRB-UHFFFAOYSA-N 1 2 236.315 1.689 20 0 BDADLO CC[N@@H+](Cc1noc(C)n1)C[C@H]1CCOC1 ZINC000052072475 350906190 /nfs/dbraw/zinc/90/61/90/350906190.db2.gz WQMKIMUASVKZCI-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO CC[N@H+](Cc1noc(C)n1)C[C@H]1CCOC1 ZINC000052072475 350906191 /nfs/dbraw/zinc/90/61/91/350906191.db2.gz WQMKIMUASVKZCI-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO CCCCn1nnnc1C[NH+](C)CC1CC1 ZINC000052106479 350930163 /nfs/dbraw/zinc/93/01/63/350930163.db2.gz HREDOLDPVPATOR-UHFFFAOYSA-N 1 2 223.324 1.315 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000052101044 350937014 /nfs/dbraw/zinc/93/70/14/350937014.db2.gz ZUPFAKMEEJZQGN-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000052101044 350937019 /nfs/dbraw/zinc/93/70/19/350937019.db2.gz ZUPFAKMEEJZQGN-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000249743941 350873422 /nfs/dbraw/zinc/87/34/22/350873422.db2.gz YWUSSKHGOGIIET-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000249743941 350873426 /nfs/dbraw/zinc/87/34/26/350873426.db2.gz YWUSSKHGOGIIET-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccnc(C)c2)nn1 ZINC000623564532 362990138 /nfs/dbraw/zinc/99/01/38/362990138.db2.gz HZAQOXFDTUTOOD-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC000616620786 350944911 /nfs/dbraw/zinc/94/49/11/350944911.db2.gz NJXGECZXSAIOKH-SNVBAGLBSA-N 1 2 246.326 1.945 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC000616620786 350944912 /nfs/dbraw/zinc/94/49/12/350944912.db2.gz NJXGECZXSAIOKH-SNVBAGLBSA-N 1 2 246.326 1.945 20 0 BDADLO CC(C)Oc1ccccc1C[NH2+]Cc1cnn[nH]1 ZINC000398356540 351046525 /nfs/dbraw/zinc/04/65/25/351046525.db2.gz VSHYRUHZZFGGSK-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC[C@H]1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000422793149 192472442 /nfs/dbraw/zinc/47/24/42/192472442.db2.gz RTLXDPUKFXGLMV-KOLCDFICSA-N 1 2 249.314 1.638 20 0 BDADLO CCOC(=O)c1nc(C[N@H+](C)C2CC2)cs1 ZINC000052608044 351058752 /nfs/dbraw/zinc/05/87/52/351058752.db2.gz UHUCGSOEEVFUKR-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CCOC(=O)c1nc(C[N@@H+](C)C2CC2)cs1 ZINC000052608044 351058754 /nfs/dbraw/zinc/05/87/54/351058754.db2.gz UHUCGSOEEVFUKR-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)c(OC)c1 ZINC000398363270 351123038 /nfs/dbraw/zinc/12/30/38/351123038.db2.gz YOBQQTUUUZOBRP-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398373950 351123671 /nfs/dbraw/zinc/12/36/71/351123671.db2.gz DSLUOUMGINGJRN-GXSJLCMTSA-N 1 2 224.308 1.098 20 0 BDADLO C[C@H]1c2cccn2CCN1CC[NH+]1CCOCC1 ZINC000070975799 351136439 /nfs/dbraw/zinc/13/64/39/351136439.db2.gz SIYVXGFEBORTQD-ZDUSSCGKSA-N 1 2 249.358 1.197 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264259161 351230566 /nfs/dbraw/zinc/23/05/66/351230566.db2.gz CMEWMWJRBKNRJG-JTQLQIEISA-N 1 2 239.319 1.242 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CCC(=O)OC ZINC000265173172 351264622 /nfs/dbraw/zinc/26/46/22/351264622.db2.gz FBTXSKDEPFMHDP-UHFFFAOYSA-N 1 2 236.271 1.536 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCOC1 ZINC000265050788 351261880 /nfs/dbraw/zinc/26/18/80/351261880.db2.gz OGHFVFYGRUYFEF-JTQLQIEISA-N 1 2 220.272 1.619 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CO)s1 ZINC000680047003 487527459 /nfs/dbraw/zinc/52/74/59/487527459.db2.gz ZJDUZFOZDKHXGL-SECBINFHSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2CO)s1 ZINC000680047003 487527460 /nfs/dbraw/zinc/52/74/60/487527460.db2.gz ZJDUZFOZDKHXGL-SECBINFHSA-N 1 2 241.360 1.447 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@](C)(C3CC3)C2)[nH+]1 ZINC000628337341 351280448 /nfs/dbraw/zinc/28/04/48/351280448.db2.gz CQWUDWZNNLYHOD-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO CCN(Cc1[nH+]ccn1C)Cc1ccccn1 ZINC000268167741 351329525 /nfs/dbraw/zinc/32/95/25/351329525.db2.gz LACSDCZSYDDBEW-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO COCc1nc(Cn2cc[nH+]c2)cs1 ZINC000072558651 351273402 /nfs/dbraw/zinc/27/34/02/351273402.db2.gz KHIQEEFOUNNNTP-UHFFFAOYSA-N 1 2 209.274 1.534 20 0 BDADLO CCn1ccc(=NC(=O)C[C@H](C)n2cc[nH+]c2)[nH]1 ZINC000618044470 351273894 /nfs/dbraw/zinc/27/38/94/351273894.db2.gz JITYLIKRJUPCLR-JTQLQIEISA-N 1 2 247.302 1.111 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2nc(C)c[nH]2)C1 ZINC000628337316 351280057 /nfs/dbraw/zinc/28/00/57/351280057.db2.gz CBTNQTYFWMVRKC-UHFFFAOYSA-N 1 2 249.358 1.967 20 0 BDADLO O=c1ccc(C[NH2+]Cc2noc(C3CC3)n2)c[nH]1 ZINC000631127598 351388703 /nfs/dbraw/zinc/38/87/03/351388703.db2.gz ZOUGKAXEMNMZFM-UHFFFAOYSA-N 1 2 246.270 1.337 20 0 BDADLO CC[N@H+](Cc1cncn1C)Cc1ccncc1 ZINC000271031376 351395295 /nfs/dbraw/zinc/39/52/95/351395295.db2.gz QEZOQODBVQKMAM-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cncn1C)Cc1ccncc1 ZINC000271031376 351395300 /nfs/dbraw/zinc/39/53/00/351395300.db2.gz QEZOQODBVQKMAM-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CCN(Cc1c[nH+]cn1C)Cc1ccncc1 ZINC000271031376 351395304 /nfs/dbraw/zinc/39/53/04/351395304.db2.gz QEZOQODBVQKMAM-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO C[C@H]([NH2+]Cc1ccns1)c1nccn1C ZINC000404354147 351400193 /nfs/dbraw/zinc/40/01/93/351400193.db2.gz MDGBGIQRXGVHDZ-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000090451981 363062234 /nfs/dbraw/zinc/06/22/34/363062234.db2.gz UXXMHALTJWFHHA-UTLUCORTSA-N 1 2 229.320 1.484 20 0 BDADLO CCc1nc(COc2cc[nH+]cc2)no1 ZINC000276389764 351619372 /nfs/dbraw/zinc/61/93/72/351619372.db2.gz BNUYSIJYSRURFN-UHFFFAOYSA-N 1 2 205.217 1.606 20 0 BDADLO CC[N@@H+](Cc1cocn1)C[C@@H]1CCCO1 ZINC000278211330 351751666 /nfs/dbraw/zinc/75/16/66/351751666.db2.gz RFXPIEIQKKOXCJ-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CC[N@H+](Cc1cocn1)C[C@@H]1CCCO1 ZINC000278211330 351751670 /nfs/dbraw/zinc/75/16/70/351751670.db2.gz RFXPIEIQKKOXCJ-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccco1 ZINC000607648907 351820673 /nfs/dbraw/zinc/82/06/73/351820673.db2.gz LVRWHPSJVTZJEM-MRVPVSSYSA-N 1 2 219.244 1.423 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(C)ns1 ZINC000637954849 351831503 /nfs/dbraw/zinc/83/15/03/351831503.db2.gz CTSONISYXRPOGH-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)ns1 ZINC000637954849 351831505 /nfs/dbraw/zinc/83/15/05/351831505.db2.gz CTSONISYXRPOGH-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000280003459 351831548 /nfs/dbraw/zinc/83/15/48/351831548.db2.gz LHRVFBCYGDXKIG-LBPRGKRZSA-N 1 2 242.319 1.284 20 0 BDADLO CCCCOC[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000280003459 351831552 /nfs/dbraw/zinc/83/15/52/351831552.db2.gz LHRVFBCYGDXKIG-LBPRGKRZSA-N 1 2 242.319 1.284 20 0 BDADLO CN(CC(F)F)CC(C)(C)[NH+]1CCOCC1 ZINC000637973506 351848653 /nfs/dbraw/zinc/84/86/53/351848653.db2.gz JWHKALRTEUFAEJ-UHFFFAOYSA-N 1 2 236.306 1.294 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000282944239 351952045 /nfs/dbraw/zinc/95/20/45/351952045.db2.gz YZLYVYBHQURAKY-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(F)cc1 ZINC000282944239 351952047 /nfs/dbraw/zinc/95/20/47/351952047.db2.gz YZLYVYBHQURAKY-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccns2)[C@H]1C ZINC000638084793 351963058 /nfs/dbraw/zinc/96/30/58/351963058.db2.gz MUGDMOYAZQNPTN-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccns2)[C@H]1C ZINC000638084793 351963060 /nfs/dbraw/zinc/96/30/60/351963060.db2.gz MUGDMOYAZQNPTN-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO CC[C@](C)(C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638096984 351976639 /nfs/dbraw/zinc/97/66/39/351976639.db2.gz PIRHEYKDBRIWKE-SNVBAGLBSA-N 1 2 212.297 1.052 20 0 BDADLO CC[C@](C)(C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638096984 351976641 /nfs/dbraw/zinc/97/66/41/351976641.db2.gz PIRHEYKDBRIWKE-SNVBAGLBSA-N 1 2 212.297 1.052 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000618874205 351993794 /nfs/dbraw/zinc/99/37/94/351993794.db2.gz MVDKMSBWVZRFGL-QWRGUYRKSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000618874205 351993800 /nfs/dbraw/zinc/99/38/00/351993800.db2.gz MVDKMSBWVZRFGL-QWRGUYRKSA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccns1 ZINC000638134903 352002453 /nfs/dbraw/zinc/00/24/53/352002453.db2.gz RQHCIGWHDKQGAI-UHFFFAOYSA-N 1 2 227.333 1.229 20 0 BDADLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccns1 ZINC000638134903 352002456 /nfs/dbraw/zinc/00/24/56/352002456.db2.gz RQHCIGWHDKQGAI-UHFFFAOYSA-N 1 2 227.333 1.229 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000335976250 538102007 /nfs/dbraw/zinc/10/20/07/538102007.db2.gz BZURDUWRMUNXAA-JTQLQIEISA-N 1 2 233.315 1.767 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000335976250 538102010 /nfs/dbraw/zinc/10/20/10/538102010.db2.gz BZURDUWRMUNXAA-JTQLQIEISA-N 1 2 233.315 1.767 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CC1(F)F ZINC000638329716 352149986 /nfs/dbraw/zinc/14/99/86/352149986.db2.gz QUSDXKOPHDOUBM-HTRCEHHLSA-N 1 2 201.220 1.543 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411131207 191162208 /nfs/dbraw/zinc/16/22/08/191162208.db2.gz IMBYCVVPCCNLOJ-NWDGAFQWSA-N 1 2 237.274 1.786 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411131207 191162210 /nfs/dbraw/zinc/16/22/10/191162210.db2.gz IMBYCVVPCCNLOJ-NWDGAFQWSA-N 1 2 237.274 1.786 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000336740598 352371349 /nfs/dbraw/zinc/37/13/49/352371349.db2.gz MLWIVMDFGZRNSH-VGMNWLOBSA-N 1 2 224.308 1.425 20 0 BDADLO CCc1nc(CNc2[nH+]cnc3[nH]ccc32)n[nH]1 ZINC000294863755 352386233 /nfs/dbraw/zinc/38/62/33/352386233.db2.gz DKEILLAFGLLEOR-UHFFFAOYSA-N 1 2 243.274 1.251 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411538039 191192866 /nfs/dbraw/zinc/19/28/66/191192866.db2.gz SUNZBVIGVXZJRA-MNOVXSKESA-N 1 2 243.347 1.469 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613412213 363188409 /nfs/dbraw/zinc/18/84/09/363188409.db2.gz CHWGZAGCOBJSKA-CYZMBNFOSA-N 1 2 247.342 1.515 20 0 BDADLO COC(=O)[C@H](C)NCc1c(C)[nH+]c2ccccn21 ZINC000037303048 358471706 /nfs/dbraw/zinc/47/17/06/358471706.db2.gz CSXOHIOBAQXGRP-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO CC(C)c1cc(CNC(=O)Cn2cc[nH+]c2)on1 ZINC000608014127 352600346 /nfs/dbraw/zinc/60/03/46/352600346.db2.gz WBPGPENWRCGQQU-UHFFFAOYSA-N 1 2 248.286 1.311 20 0 BDADLO CCn1c[nH+]cc1CNc1ncn(C(C)(C)C)n1 ZINC000583488684 352567147 /nfs/dbraw/zinc/56/71/47/352567147.db2.gz WWEAEAZCAFSIJU-UHFFFAOYSA-N 1 2 248.334 1.284 20 0 BDADLO CC(C)Cn1ccnc1C[NH2+]Cc1cn[nH]c1 ZINC000608058900 352657338 /nfs/dbraw/zinc/65/73/38/352657338.db2.gz HKJIVJWRIMHGPP-UHFFFAOYSA-N 1 2 233.319 1.552 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411858462 191223179 /nfs/dbraw/zinc/22/31/79/191223179.db2.gz IYXOMUQDGJAKIH-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411858462 191223182 /nfs/dbraw/zinc/22/31/82/191223182.db2.gz IYXOMUQDGJAKIH-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCN(C)C(=O)C[N@H+](CC)Cc1occc1C ZINC000412025055 191239123 /nfs/dbraw/zinc/23/91/23/191239123.db2.gz HGVPRAOKVHJDDZ-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CCN(C)C(=O)C[N@@H+](CC)Cc1occc1C ZINC000412025055 191239125 /nfs/dbraw/zinc/23/91/25/191239125.db2.gz HGVPRAOKVHJDDZ-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CC(C)CN1CC[N@H+](CCCCCF)CC1=O ZINC000342127103 352737676 /nfs/dbraw/zinc/73/76/76/352737676.db2.gz LNTURHGEADGOMH-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CC(C)CN1CC[N@@H+](CCCCCF)CC1=O ZINC000342127103 352737678 /nfs/dbraw/zinc/73/76/78/352737678.db2.gz LNTURHGEADGOMH-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc[nH]n1 ZINC000334186267 352775483 /nfs/dbraw/zinc/77/54/83/352775483.db2.gz FSMXMIHZZBXFKM-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc[nH]n1 ZINC000334186267 352775484 /nfs/dbraw/zinc/77/54/84/352775484.db2.gz FSMXMIHZZBXFKM-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO CCC1(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000334174850 352759729 /nfs/dbraw/zinc/75/97/29/352759729.db2.gz CAMRNWOWXPNWLI-NSHDSACASA-N 1 2 247.342 1.926 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)sc1C ZINC000334175584 352760433 /nfs/dbraw/zinc/76/04/33/352760433.db2.gz BJKPVYGCIXQYQK-UWVGGRQHSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](F)C[C@H]2CO)sc1C ZINC000334175584 352760434 /nfs/dbraw/zinc/76/04/34/352760434.db2.gz BJKPVYGCIXQYQK-UWVGGRQHSA-N 1 2 244.335 1.665 20 0 BDADLO O=S1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000334178709 352765462 /nfs/dbraw/zinc/76/54/62/352765462.db2.gz BBFGMWJBXIMCCS-CHWSQXEVSA-N 1 2 235.352 1.607 20 0 BDADLO Cc1nscc1C(=O)NCc1c[nH+]c[nH]1 ZINC000334197135 352788481 /nfs/dbraw/zinc/78/84/81/352788481.db2.gz ITFSAWRJSGOUHV-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1nscc1C(=O)NCc1c[nH]c[nH+]1 ZINC000334197135 352788482 /nfs/dbraw/zinc/78/84/82/352788482.db2.gz ITFSAWRJSGOUHV-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO CC1C[NH+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000334205560 352799911 /nfs/dbraw/zinc/79/99/11/352799911.db2.gz XXTUFHKLGLAWPM-UHFFFAOYSA-N 1 2 239.340 1.542 20 0 BDADLO Cn1cnnc1C[NH2+][C@@H]1CCCc2occc21 ZINC000123987726 180794900 /nfs/dbraw/zinc/79/49/00/180794900.db2.gz HMJZHZIIVVECSW-SNVBAGLBSA-N 1 2 232.287 1.575 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000412065117 191256780 /nfs/dbraw/zinc/25/67/80/191256780.db2.gz FOCQMZRZDPFYQS-MNOINKQASA-N 1 2 247.338 1.781 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000412065117 191256783 /nfs/dbraw/zinc/25/67/83/191256783.db2.gz FOCQMZRZDPFYQS-MNOINKQASA-N 1 2 247.338 1.781 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]cc(C)n2C)CCCO1 ZINC000342855913 352876276 /nfs/dbraw/zinc/87/62/76/352876276.db2.gz YFPVQZFJXGBAJH-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334243797 352832182 /nfs/dbraw/zinc/83/21/82/352832182.db2.gz PXEOPXSXPKYTKV-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334247724 352839175 /nfs/dbraw/zinc/83/91/75/352839175.db2.gz MPPCJMCOVAUFLE-SNVBAGLBSA-N 1 2 245.286 1.419 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccn1 ZINC000342865240 352881883 /nfs/dbraw/zinc/88/18/83/352881883.db2.gz SYWBCEMLUOWEEA-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccn1 ZINC000342865240 352881888 /nfs/dbraw/zinc/88/18/88/352881888.db2.gz SYWBCEMLUOWEEA-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOCC23CCCC3)n1 ZINC000342869015 352883589 /nfs/dbraw/zinc/88/35/89/352883589.db2.gz SSCMKNNXUCFDEY-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOCC23CCCC3)n1 ZINC000342869015 352883592 /nfs/dbraw/zinc/88/35/92/352883592.db2.gz SSCMKNNXUCFDEY-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOCC23CC3)s1 ZINC000334262854 352896238 /nfs/dbraw/zinc/89/62/38/352896238.db2.gz JAZFXVDEZHHEEJ-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1ncc(C[N@H+]2CCOCC23CC3)s1 ZINC000334262854 352896240 /nfs/dbraw/zinc/89/62/40/352896240.db2.gz JAZFXVDEZHHEEJ-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334264282 352898728 /nfs/dbraw/zinc/89/87/28/352898728.db2.gz KVQRPWGNWPLMBL-BDAKNGLRSA-N 1 2 221.304 1.744 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334264282 352898730 /nfs/dbraw/zinc/89/87/30/352898730.db2.gz KVQRPWGNWPLMBL-BDAKNGLRSA-N 1 2 221.304 1.744 20 0 BDADLO C[C@H]1C[N@H+](CCC(F)(F)F)CC(=O)N1C ZINC000334337328 352973054 /nfs/dbraw/zinc/97/30/54/352973054.db2.gz VMVAKBAGAZGNEX-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@H]1C[N@@H+](CCC(F)(F)F)CC(=O)N1C ZINC000334337328 352973055 /nfs/dbraw/zinc/97/30/55/352973055.db2.gz VMVAKBAGAZGNEX-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO Cc1nc(N2CCO[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000608086659 352978484 /nfs/dbraw/zinc/97/84/84/352978484.db2.gz HBTNTJHAQLYGAI-MRVPVSSYSA-N 1 2 247.220 1.553 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000334352120 352986722 /nfs/dbraw/zinc/98/67/22/352986722.db2.gz GUXIVSRWBMCUQY-VHSXEESVSA-N 1 2 244.360 1.508 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@@H]1CCCCO1 ZINC000334352120 352986724 /nfs/dbraw/zinc/98/67/24/352986724.db2.gz GUXIVSRWBMCUQY-VHSXEESVSA-N 1 2 244.360 1.508 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000334319769 352951673 /nfs/dbraw/zinc/95/16/73/352951673.db2.gz UWFJAWSXUWMTNZ-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO CO[C@H]1CCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000334327023 352962894 /nfs/dbraw/zinc/96/28/94/352962894.db2.gz BTLHZQLXXBPSHI-VIFPVBQESA-N 1 2 249.289 1.938 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1nccs1 ZINC000231844632 538107522 /nfs/dbraw/zinc/10/75/22/538107522.db2.gz YILWUDAMPAAJIE-MRVPVSSYSA-N 1 2 227.333 1.100 20 0 BDADLO CCn1cc(C[NH2+]Cc2ncc(C)o2)cn1 ZINC000231788259 538107379 /nfs/dbraw/zinc/10/73/79/538107379.db2.gz KQKSKKWSIXDBRI-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO C([NH2+][C@@H]1CCSC1)c1noc(C2CC2)n1 ZINC000336759714 188000911 /nfs/dbraw/zinc/00/09/11/188000911.db2.gz LNJCORBYVQEEOT-MRVPVSSYSA-N 1 2 225.317 1.542 20 0 BDADLO O=S(=O)(C1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334468671 353116104 /nfs/dbraw/zinc/11/61/04/353116104.db2.gz YAXPWRQIRWFWQJ-VIFPVBQESA-N 1 2 241.316 1.039 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H]1F ZINC000340782275 188043495 /nfs/dbraw/zinc/04/34/95/188043495.db2.gz MCGNYZYSQDTGJV-QWRGUYRKSA-N 1 2 239.294 1.360 20 0 BDADLO CC(C)[C@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000227849471 188012690 /nfs/dbraw/zinc/01/26/90/188012690.db2.gz DYVIFFIHDQEAKC-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)[C@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000227849471 188012692 /nfs/dbraw/zinc/01/26/92/188012692.db2.gz DYVIFFIHDQEAKC-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)N1CC[N@H+](Cc2ccccc2)CC1=O ZINC000272583997 188026393 /nfs/dbraw/zinc/02/63/93/188026393.db2.gz OMXQXJYKJGCMBU-UHFFFAOYSA-N 1 2 232.327 1.739 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000272583997 188026396 /nfs/dbraw/zinc/02/63/96/188026396.db2.gz OMXQXJYKJGCMBU-UHFFFAOYSA-N 1 2 232.327 1.739 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000272186176 188026407 /nfs/dbraw/zinc/02/64/07/188026407.db2.gz JYAONNCJNPZLPI-NWDGAFQWSA-N 1 2 235.331 1.772 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CCC(O)CC1 ZINC000275755353 188028602 /nfs/dbraw/zinc/02/86/02/188028602.db2.gz TYUKQGKIUXOUFV-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO CC(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279262051 188031475 /nfs/dbraw/zinc/03/14/75/188031475.db2.gz VBVCRXGLBYTMFS-ZDUSSCGKSA-N 1 2 247.342 1.982 20 0 BDADLO CC(C)COCC[N@H+](C)Cc1ccon1 ZINC000283366709 188033595 /nfs/dbraw/zinc/03/35/95/188033595.db2.gz RZDQWPIFBJEFGB-UHFFFAOYSA-N 1 2 212.293 1.779 20 0 BDADLO CC(C)COCC[N@@H+](C)Cc1ccon1 ZINC000283366709 188033596 /nfs/dbraw/zinc/03/35/96/188033596.db2.gz RZDQWPIFBJEFGB-UHFFFAOYSA-N 1 2 212.293 1.779 20 0 BDADLO CC(C)[C@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000283844535 188033662 /nfs/dbraw/zinc/03/36/62/188033662.db2.gz CPZRPAPHOAZWNG-SECBINFHSA-N 1 2 247.289 1.727 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000283844535 188033664 /nfs/dbraw/zinc/03/36/64/188033664.db2.gz CPZRPAPHOAZWNG-SECBINFHSA-N 1 2 247.289 1.727 20 0 BDADLO CC(=O)CCC(=O)NCCCNc1cccc[nH+]1 ZINC000282842403 188033696 /nfs/dbraw/zinc/03/36/96/188033696.db2.gz SVUPOYGGXZJFDE-UHFFFAOYSA-N 1 2 249.314 1.369 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCCOC1 ZINC000286977215 188034636 /nfs/dbraw/zinc/03/46/36/188034636.db2.gz BREXMVVSCVBBAJ-LLVKDONJSA-N 1 2 249.314 1.999 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](O)C1CC1 ZINC000287475649 188035284 /nfs/dbraw/zinc/03/52/84/188035284.db2.gz JTUQWCBIHHQHSO-LLVKDONJSA-N 1 2 249.314 1.591 20 0 BDADLO Cc1nc(N2CCC[C@H]2c2cc[nH]n2)cc[nH+]1 ZINC000287848090 188035418 /nfs/dbraw/zinc/03/54/18/188035418.db2.gz RWMBJTSQSMOVLJ-NSHDSACASA-N 1 2 229.287 1.850 20 0 BDADLO C/C=C(\C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290868303 188035658 /nfs/dbraw/zinc/03/56/58/188035658.db2.gz CHYXPJXTVXXPKD-YCRREMRBSA-N 1 2 205.261 1.192 20 0 BDADLO CC1(C)C[C@@H]1[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000294580698 188038363 /nfs/dbraw/zinc/03/83/63/188038363.db2.gz CJQYMOQCXCXDEH-QWRGUYRKSA-N 1 2 243.314 1.677 20 0 BDADLO CC(C)=CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000191836088 188004748 /nfs/dbraw/zinc/00/47/48/188004748.db2.gz RFKPMRDGKPRTOV-UHFFFAOYSA-N 1 2 243.310 1.959 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000193962167 188005237 /nfs/dbraw/zinc/00/52/37/188005237.db2.gz RXSARRYOSQTKHC-WDEREUQCSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000193962167 188005239 /nfs/dbraw/zinc/00/52/39/188005239.db2.gz RXSARRYOSQTKHC-WDEREUQCSA-N 1 2 221.304 1.593 20 0 BDADLO CCCCc1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000050115494 188046381 /nfs/dbraw/zinc/04/63/81/188046381.db2.gz VQAULBSXRKHQSW-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000050115494 188046383 /nfs/dbraw/zinc/04/63/83/188046383.db2.gz VQAULBSXRKHQSW-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)(C)OC(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000330488249 188046434 /nfs/dbraw/zinc/04/64/34/188046434.db2.gz JGEWGMDZFSAKSF-UHFFFAOYSA-N 1 2 242.319 1.575 20 0 BDADLO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332659877 188054028 /nfs/dbraw/zinc/05/40/28/188054028.db2.gz AZEAHICUPKMLTL-QMMMGPOBSA-N 1 2 224.308 1.521 20 0 BDADLO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332659877 188054030 /nfs/dbraw/zinc/05/40/30/188054030.db2.gz AZEAHICUPKMLTL-QMMMGPOBSA-N 1 2 224.308 1.521 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000336347534 188055352 /nfs/dbraw/zinc/05/53/52/188055352.db2.gz CPHDTMOAGIJYNM-LLVKDONJSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000336347534 188055353 /nfs/dbraw/zinc/05/53/53/188055353.db2.gz CPHDTMOAGIJYNM-LLVKDONJSA-N 1 2 242.363 1.353 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000336538282 188057543 /nfs/dbraw/zinc/05/75/43/188057543.db2.gz GOADXVXHTRMSHS-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO CC[N@@H+](Cc1nnc(C)o1)C[C@H]1CCCO1 ZINC000051555684 353178636 /nfs/dbraw/zinc/17/86/36/353178636.db2.gz SOPKZOCWINWXIS-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1nnc(C)o1)C[C@H]1CCCO1 ZINC000051555684 353178640 /nfs/dbraw/zinc/17/86/40/353178640.db2.gz SOPKZOCWINWXIS-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1c[nH+]c[nH]1 ZINC000331222039 353231607 /nfs/dbraw/zinc/23/16/07/353231607.db2.gz BIEOMLBIUKQWIL-MRVPVSSYSA-N 1 2 213.306 1.168 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1c[nH]c[nH+]1 ZINC000331222039 353231609 /nfs/dbraw/zinc/23/16/09/353231609.db2.gz BIEOMLBIUKQWIL-MRVPVSSYSA-N 1 2 213.306 1.168 20 0 BDADLO FC(F)CNCc1cn2ccccc2[nH+]1 ZINC000126821968 180903016 /nfs/dbraw/zinc/90/30/16/180903016.db2.gz JTZCYCTZCMOECH-UHFFFAOYSA-N 1 2 211.215 1.689 20 0 BDADLO C[C@@H]([NH2+]Cc1ncnn1C)c1ccsc1 ZINC000083971025 538112700 /nfs/dbraw/zinc/11/27/00/538112700.db2.gz HGZZIXZUJNXZEC-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CO[C@@H](C[NH+]1CC(F)C1)C1CCCC1 ZINC000639037522 353309999 /nfs/dbraw/zinc/30/99/99/353309999.db2.gz ICIUHCXTFIWRPU-NSHDSACASA-N 1 2 201.285 1.845 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189650566 353310843 /nfs/dbraw/zinc/31/08/43/353310843.db2.gz VHNQXOFPBDVFDX-VIFPVBQESA-N 1 2 229.320 1.437 20 0 BDADLO COc1ccc(NC2CCOCC2)[nH+]c1 ZINC000225894078 538114555 /nfs/dbraw/zinc/11/45/55/538114555.db2.gz FDJOCHARTXUKJE-UHFFFAOYSA-N 1 2 208.261 1.681 20 0 BDADLO COc1ccc(NCc2cn[nH]c2)[nH+]c1 ZINC000225895488 538114589 /nfs/dbraw/zinc/11/45/89/538114589.db2.gz GBSHYXFMOSIWIA-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC(F)C1 ZINC000639039410 353319959 /nfs/dbraw/zinc/31/99/59/353319959.db2.gz UEOAEHBQOOHONP-SNVBAGLBSA-N 1 2 209.268 1.525 20 0 BDADLO COc1cccc(OC)c1C[NH2+]Cc1ccno1 ZINC000639042457 353325262 /nfs/dbraw/zinc/32/52/62/353325262.db2.gz WNKMGIWEAKUPLW-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO CC(C)c1nc(N(C)[C@@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000343286093 353354971 /nfs/dbraw/zinc/35/49/71/353354971.db2.gz METLEZUWTUHSBV-MNOVXSKESA-N 1 2 235.331 1.950 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccns2)CCN1C ZINC000639058614 353364724 /nfs/dbraw/zinc/36/47/24/353364724.db2.gz QWEXGMJWNAZKDG-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccns2)CCN1C ZINC000639058614 353364725 /nfs/dbraw/zinc/36/47/25/353364725.db2.gz QWEXGMJWNAZKDG-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccns1 ZINC000639058613 353364860 /nfs/dbraw/zinc/36/48/60/353364860.db2.gz QWEXGMJWNAZKDG-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccns1 ZINC000639058613 353364862 /nfs/dbraw/zinc/36/48/62/353364862.db2.gz QWEXGMJWNAZKDG-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO c1n[nH]nc1C[NH2+]C1Cc2ccccc2C1 ZINC000398328931 363219089 /nfs/dbraw/zinc/21/90/89/363219089.db2.gz GXCPGAODJFATCW-UHFFFAOYSA-N 1 2 214.272 1.062 20 0 BDADLO O=C1CCCN1CCC[N@H+]1CCC=C(F)C1 ZINC000537610454 324083779 /nfs/dbraw/zinc/08/37/79/324083779.db2.gz OHGVFNCYBHRFSZ-UHFFFAOYSA-N 1 2 226.295 1.558 20 0 BDADLO O=C1CCCN1CCC[N@@H+]1CCC=C(F)C1 ZINC000537610454 324083786 /nfs/dbraw/zinc/08/37/86/324083786.db2.gz OHGVFNCYBHRFSZ-UHFFFAOYSA-N 1 2 226.295 1.558 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccns2)C[C@H](C)O1 ZINC000639087857 353434730 /nfs/dbraw/zinc/43/47/30/353434730.db2.gz OZIASYMICBHYJF-VHSXEESVSA-N 1 2 242.344 1.379 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccns2)C[C@H](C)O1 ZINC000639087857 353434733 /nfs/dbraw/zinc/43/47/33/353434733.db2.gz OZIASYMICBHYJF-VHSXEESVSA-N 1 2 242.344 1.379 20 0 BDADLO CC[C@](C)(C[N@@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639095267 353479770 /nfs/dbraw/zinc/47/97/70/353479770.db2.gz MPULWBPXWACINF-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@](C)(C[N@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639095267 353479771 /nfs/dbraw/zinc/47/97/71/353479771.db2.gz MPULWBPXWACINF-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000191772251 353509504 /nfs/dbraw/zinc/50/95/04/353509504.db2.gz HOFIDYCXOGJZBG-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)o1 ZINC000191772251 353509509 /nfs/dbraw/zinc/50/95/09/353509509.db2.gz HOFIDYCXOGJZBG-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000191767386 353509538 /nfs/dbraw/zinc/50/95/38/353509538.db2.gz LYTXFNWKGOOBDV-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000191767386 353509543 /nfs/dbraw/zinc/50/95/43/353509543.db2.gz LYTXFNWKGOOBDV-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO Cc1cc(N2CCC([C@@H](C)O)CC2)c(C#N)c[nH+]1 ZINC000399005943 353549550 /nfs/dbraw/zinc/54/95/50/353549550.db2.gz YEIKEJYGLBARKG-LLVKDONJSA-N 1 2 245.326 1.859 20 0 BDADLO Cc1cc(NC[C@H]2CCC[C@H](O)C2)nc[nH+]1 ZINC000230908520 353552031 /nfs/dbraw/zinc/55/20/31/353552031.db2.gz XDMLQSIGXVYEGT-QWRGUYRKSA-N 1 2 221.304 1.748 20 0 BDADLO Fc1cccc2oc(=NCCn3cc[nH+]c3)[nH]c21 ZINC000362565503 181007548 /nfs/dbraw/zinc/00/75/48/181007548.db2.gz BLAFRMDHTZDSRB-UHFFFAOYSA-N 1 2 246.245 1.697 20 0 BDADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1sccc1F ZINC000334523970 353893867 /nfs/dbraw/zinc/89/38/67/353893867.db2.gz RHNORBPGMFQGTO-QMMMGPOBSA-N 1 2 242.319 1.663 20 0 BDADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1sccc1F ZINC000334523970 353893868 /nfs/dbraw/zinc/89/38/68/353893868.db2.gz RHNORBPGMFQGTO-QMMMGPOBSA-N 1 2 242.319 1.663 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CC(C)C3)[nH+]c12 ZINC000334532669 353911688 /nfs/dbraw/zinc/91/16/88/353911688.db2.gz NIQVWRGRBBNBHF-UHFFFAOYSA-N 1 2 243.310 1.664 20 0 BDADLO CCC[C@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343752876 353972533 /nfs/dbraw/zinc/97/25/33/353972533.db2.gz SDMBSHVMQKDYMH-VIFPVBQESA-N 1 2 238.335 1.878 20 0 BDADLO Cc1cc(NCC[C@@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000343650713 353954206 /nfs/dbraw/zinc/95/42/06/353954206.db2.gz KKWGVGVXZWFAPR-NWDGAFQWSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@H](CO)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343803179 354007653 /nfs/dbraw/zinc/00/76/53/354007653.db2.gz WRKLYCASVHMLHP-NEPJUHHUSA-N 1 2 246.314 1.255 20 0 BDADLO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000343864918 354026238 /nfs/dbraw/zinc/02/62/38/354026238.db2.gz RFRYYWAUQVWZQM-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000343864915 354026538 /nfs/dbraw/zinc/02/65/38/354026538.db2.gz RFRYYWAUQVWZQM-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1nc(C)c(C(=O)NC2C[NH+](C(C)C)C2)o1 ZINC000334563785 354081308 /nfs/dbraw/zinc/08/13/08/354081308.db2.gz LNFVSXUNORTNLQ-UHFFFAOYSA-N 1 2 237.303 1.114 20 0 BDADLO Cc1cc(NCc2nnc(C(C)C)s2)nc[nH+]1 ZINC000343889547 354051586 /nfs/dbraw/zinc/05/15/86/354051586.db2.gz YCPCDTSSJLIYSK-UHFFFAOYSA-N 1 2 249.343 1.794 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)[C@H](C)CO1 ZINC000651404852 491059358 /nfs/dbraw/zinc/05/93/58/491059358.db2.gz FALMPGZDGQPNKI-KOLCDFICSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1nc(CNc2cc(C)[nH+]cn2)no1 ZINC000230906189 363328778 /nfs/dbraw/zinc/32/87/78/363328778.db2.gz WVNIGFIPFRPICV-UHFFFAOYSA-N 1 2 205.221 1.089 20 0 BDADLO CCC[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344147847 354154559 /nfs/dbraw/zinc/15/45/59/354154559.db2.gz RFGCJOYQZSKFEU-UWVGGRQHSA-N 1 2 238.335 1.878 20 0 BDADLO CCC[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344147847 354154563 /nfs/dbraw/zinc/15/45/63/354154563.db2.gz RFGCJOYQZSKFEU-UWVGGRQHSA-N 1 2 238.335 1.878 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)s1 ZINC000344155157 354156711 /nfs/dbraw/zinc/15/67/11/354156711.db2.gz JZEPZIWERXSVQN-WPRPVWTQSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)s1 ZINC000344155157 354156714 /nfs/dbraw/zinc/15/67/14/354156714.db2.gz JZEPZIWERXSVQN-WPRPVWTQSA-N 1 2 241.360 1.439 20 0 BDADLO CCc1nc(C)c(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000344189970 354178804 /nfs/dbraw/zinc/17/88/04/354178804.db2.gz LVRJEYIXAAEHHX-UHFFFAOYSA-N 1 2 247.254 1.320 20 0 BDADLO COc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000344192128 354179534 /nfs/dbraw/zinc/17/95/34/354179534.db2.gz WJPUZFLTCZITND-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000231349012 363341923 /nfs/dbraw/zinc/34/19/23/363341923.db2.gz PSPVBYUDMGNRHD-NXEZZACHSA-N 1 2 231.361 1.813 20 0 BDADLO Cc1cc(NCCOCC(F)F)nc[nH+]1 ZINC000231678599 363348796 /nfs/dbraw/zinc/34/87/96/363348796.db2.gz UBJLAEVDOJXOGL-UHFFFAOYSA-N 1 2 217.219 1.479 20 0 BDADLO FCC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000334582703 354202818 /nfs/dbraw/zinc/20/28/18/354202818.db2.gz VYMZGATZDVRCKY-UHFFFAOYSA-N 1 2 207.252 1.760 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC1(C)CC1 ZINC000366861821 354204740 /nfs/dbraw/zinc/20/47/40/354204740.db2.gz GKRGEGRCFJQIDM-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC1(C)CC1 ZINC000366861821 354204742 /nfs/dbraw/zinc/20/47/42/354204742.db2.gz GKRGEGRCFJQIDM-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000529662639 324373905 /nfs/dbraw/zinc/37/39/05/324373905.db2.gz SWRMRBYTPHKBEO-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000529662639 324373910 /nfs/dbraw/zinc/37/39/10/324373910.db2.gz SWRMRBYTPHKBEO-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)nn2C)C[C@H](C)O1 ZINC000334595889 354229481 /nfs/dbraw/zinc/22/94/81/354229481.db2.gz HHFXLYCIKIFOHT-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)C[C@H](C)O1 ZINC000334595889 354229486 /nfs/dbraw/zinc/22/94/86/354229486.db2.gz HHFXLYCIKIFOHT-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)nn1C ZINC000334598595 354233612 /nfs/dbraw/zinc/23/36/12/354233612.db2.gz VJMSKKKMDBFQJL-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)nn1C ZINC000334598595 354233615 /nfs/dbraw/zinc/23/36/15/354233615.db2.gz VJMSKKKMDBFQJL-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000334610741 354293368 /nfs/dbraw/zinc/29/33/68/354293368.db2.gz HFFJGOTUVNGENK-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000334610741 354293372 /nfs/dbraw/zinc/29/33/72/354293372.db2.gz HFFJGOTUVNGENK-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC(C)(C)[C@H]1C ZINC000334610741 354293374 /nfs/dbraw/zinc/29/33/74/354293374.db2.gz HFFJGOTUVNGENK-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO Cn1nncc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000334606764 354313748 /nfs/dbraw/zinc/31/37/48/354313748.db2.gz FMKRGPHQSNWPAH-ZDUSSCGKSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1nncc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000334606764 354313750 /nfs/dbraw/zinc/31/37/50/354313750.db2.gz FMKRGPHQSNWPAH-ZDUSSCGKSA-N 1 2 228.299 1.762 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000334616941 354304570 /nfs/dbraw/zinc/30/45/70/354304570.db2.gz PDHYZKIYMKXQIZ-SNVBAGLBSA-N 1 2 242.282 1.092 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000334616941 354304574 /nfs/dbraw/zinc/30/45/74/354304574.db2.gz PDHYZKIYMKXQIZ-SNVBAGLBSA-N 1 2 242.282 1.092 20 0 BDADLO CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000366872950 354325787 /nfs/dbraw/zinc/32/57/87/354325787.db2.gz GXCOSCNLYZIZQB-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO CN(C)c1ccc(NCc2nccn2C)[nH+]c1 ZINC000344961790 354384244 /nfs/dbraw/zinc/38/42/44/354384244.db2.gz HBALXGMSYOOOSA-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CO[C@H](CCNc1cc[nH+]c(C)n1)C(F)(F)F ZINC000344986096 354388500 /nfs/dbraw/zinc/38/85/00/354388500.db2.gz LEPGDMZNBVLMLC-MRVPVSSYSA-N 1 2 249.236 1.586 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(O)(C3CC3)C2)[nH+]1 ZINC000344986921 354388788 /nfs/dbraw/zinc/38/87/88/354388788.db2.gz LYWQZVUTPVRHLX-UHFFFAOYSA-N 1 2 244.298 1.227 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@H+](CC3CCC3)C2)O1 ZINC000334622589 354360493 /nfs/dbraw/zinc/36/04/93/354360493.db2.gz AIRWPFQQFSWHGE-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@@H+](CC3CCC3)C2)O1 ZINC000334622589 354360494 /nfs/dbraw/zinc/36/04/94/354360494.db2.gz AIRWPFQQFSWHGE-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3CCC3)C2)o1 ZINC000334622589 354360497 /nfs/dbraw/zinc/36/04/97/354360497.db2.gz AIRWPFQQFSWHGE-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CCC3)C2)o1 ZINC000334622589 354360500 /nfs/dbraw/zinc/36/05/00/354360500.db2.gz AIRWPFQQFSWHGE-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000334623452 354361818 /nfs/dbraw/zinc/36/18/18/354361818.db2.gz OBJITIOUWMENAS-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000334623452 354361819 /nfs/dbraw/zinc/36/18/19/354361819.db2.gz OBJITIOUWMENAS-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334627816 354369358 /nfs/dbraw/zinc/36/93/58/354369358.db2.gz UDLJQGBLOSRAOU-ZDUSSCGKSA-N 1 2 248.326 1.895 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334627816 354369361 /nfs/dbraw/zinc/36/93/61/354369361.db2.gz UDLJQGBLOSRAOU-ZDUSSCGKSA-N 1 2 248.326 1.895 20 0 BDADLO C[N@H+](CCCN1CCCC1=O)Cc1ccon1 ZINC000578052472 366204438 /nfs/dbraw/zinc/20/44/38/366204438.db2.gz MTPHTCNQICDHQL-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO C[N@@H+](CCCN1CCCC1=O)Cc1ccon1 ZINC000578052472 366204442 /nfs/dbraw/zinc/20/44/42/366204442.db2.gz MTPHTCNQICDHQL-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2cnccn2)C1 ZINC000334643452 354400807 /nfs/dbraw/zinc/40/08/07/354400807.db2.gz CXHBZIYMZIBMGQ-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2cnccn2)C1 ZINC000334643452 354400808 /nfs/dbraw/zinc/40/08/08/354400808.db2.gz CXHBZIYMZIBMGQ-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO C[C@@]1(C(=O)Nc2c[nH+]c3n2CCCC3)CCOC1 ZINC000334668150 354407995 /nfs/dbraw/zinc/40/79/95/354407995.db2.gz RJRSOHJVFIBIHO-CYBMUJFWSA-N 1 2 249.314 1.585 20 0 BDADLO FC(F)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000334677233 354421211 /nfs/dbraw/zinc/42/12/11/354421211.db2.gz XZJNBKQHJSGJKI-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO Cc1ccc(NC(=O)NC2(CO)CC2)c(C)[nH+]1 ZINC000179199639 366222547 /nfs/dbraw/zinc/22/25/47/366222547.db2.gz UAVRCSLKMIIJHK-UHFFFAOYSA-N 1 2 235.287 1.345 20 0 BDADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CC=CCC1 ZINC000334661523 354460638 /nfs/dbraw/zinc/46/06/38/354460638.db2.gz RHXJYPBINRHINZ-AWEZNQCLSA-N 1 2 245.326 1.972 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000334692720 354482481 /nfs/dbraw/zinc/48/24/81/354482481.db2.gz AFAUQVFOVDZIIO-CABZTGNLSA-N 1 2 249.314 1.047 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000334738483 354541007 /nfs/dbraw/zinc/54/10/07/354541007.db2.gz MPBOHPUCIWIOQD-CABZTGNLSA-N 1 2 223.320 1.575 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccccn1 ZINC000334699076 354491393 /nfs/dbraw/zinc/49/13/93/354491393.db2.gz ZZNADPVKKVYHAR-UHFFFAOYSA-N 1 2 242.282 1.867 20 0 BDADLO C[C@H]1[C@H](CO)CCCN1c1cccc[nH+]1 ZINC000334712420 354509568 /nfs/dbraw/zinc/50/95/68/354509568.db2.gz OLUTUZKPJLDNLY-QWRGUYRKSA-N 1 2 206.289 1.679 20 0 BDADLO C[C@@H]1[C@H](CO)CCCN1c1cccc[nH+]1 ZINC000334712419 354509870 /nfs/dbraw/zinc/50/98/70/354509870.db2.gz OLUTUZKPJLDNLY-MNOVXSKESA-N 1 2 206.289 1.679 20 0 BDADLO CCN1CC[N@H+](CC2CC(F)(F)C2)CC1=O ZINC000334799188 354554720 /nfs/dbraw/zinc/55/47/20/354554720.db2.gz KNRABRQYBVZCRX-UHFFFAOYSA-N 1 2 232.274 1.196 20 0 BDADLO CCN1CC[N@@H+](CC2CC(F)(F)C2)CC1=O ZINC000334799188 354554722 /nfs/dbraw/zinc/55/47/22/354554722.db2.gz KNRABRQYBVZCRX-UHFFFAOYSA-N 1 2 232.274 1.196 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334814620 354571842 /nfs/dbraw/zinc/57/18/42/354571842.db2.gz AADCZBSUUMIHJI-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334814620 354571844 /nfs/dbraw/zinc/57/18/44/354571844.db2.gz AADCZBSUUMIHJI-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@@]1(F)CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000334755023 354576217 /nfs/dbraw/zinc/57/62/17/354576217.db2.gz PGWNAEZWZIGEGV-RNFRBKRXSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@@]1(F)CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000334755023 354576219 /nfs/dbraw/zinc/57/62/19/354576219.db2.gz PGWNAEZWZIGEGV-RNFRBKRXSA-N 1 2 215.190 1.344 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1csc(=O)[nH]1 ZINC000334768769 354590333 /nfs/dbraw/zinc/59/03/33/354590333.db2.gz CBSYOEIUJKFMTP-UHFFFAOYSA-N 1 2 235.268 1.226 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](O)C(C)C ZINC000412740331 191309471 /nfs/dbraw/zinc/30/94/71/191309471.db2.gz DUWFYTNSHYVLBT-KOLCDFICSA-N 1 2 239.319 1.243 20 0 BDADLO C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)[C@@H](C)CO1 ZINC000334796062 354549885 /nfs/dbraw/zinc/54/98/85/354549885.db2.gz XMBCPTVLWFTPHW-VHSXEESVSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)[C@@H](C)CO1 ZINC000334796062 354549888 /nfs/dbraw/zinc/54/98/88/354549888.db2.gz XMBCPTVLWFTPHW-VHSXEESVSA-N 1 2 243.738 1.646 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)on1 ZINC000623188077 354625584 /nfs/dbraw/zinc/62/55/84/354625584.db2.gz ITTDNNIZGLVJFK-LLVKDONJSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)on1 ZINC000623188077 354625588 /nfs/dbraw/zinc/62/55/88/354625588.db2.gz ITTDNNIZGLVJFK-LLVKDONJSA-N 1 2 232.287 1.873 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000335092108 354628301 /nfs/dbraw/zinc/62/83/01/354628301.db2.gz LJBTZRFZGJORKL-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO CC1CCC(O)(C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000336025329 535265839 /nfs/dbraw/zinc/26/58/39/535265839.db2.gz HGGIUBDEJSUQDT-UHFFFAOYSA-N 1 2 249.358 1.640 20 0 BDADLO CC1CCC(O)(C[N@H+]2CCn3ccnc3C2)CC1 ZINC000336025329 535265845 /nfs/dbraw/zinc/26/58/45/535265845.db2.gz HGGIUBDEJSUQDT-UHFFFAOYSA-N 1 2 249.358 1.640 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000335099642 354640841 /nfs/dbraw/zinc/64/08/41/354640841.db2.gz YHIRESOUQMAAQX-VHSXEESVSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000335099642 354640842 /nfs/dbraw/zinc/64/08/42/354640842.db2.gz YHIRESOUQMAAQX-VHSXEESVSA-N 1 2 228.311 1.430 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[C@H](F)C1 ZINC000335104047 354687979 /nfs/dbraw/zinc/68/79/79/354687979.db2.gz NGTRFSKTOIMMQH-UWVGGRQHSA-N 1 2 239.294 1.863 20 0 BDADLO Cc1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000345583182 354704772 /nfs/dbraw/zinc/70/47/72/354704772.db2.gz ZASHPMJQDRAXSI-UHFFFAOYSA-N 1 2 227.227 1.626 20 0 BDADLO Cc1sccc1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000345617386 354715674 /nfs/dbraw/zinc/71/56/74/354715674.db2.gz XOHYBIKIXSWEQA-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H](C)N1C ZINC000639208870 354728196 /nfs/dbraw/zinc/72/81/96/354728196.db2.gz GDOOHYMKIUWBLG-AOOOYVTPSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)C[C@H](C)N1C ZINC000639208870 354728201 /nfs/dbraw/zinc/72/82/01/354728201.db2.gz GDOOHYMKIUWBLG-AOOOYVTPSA-N 1 2 225.361 1.668 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1(O)CCCC1 ZINC000345526593 354672870 /nfs/dbraw/zinc/67/28/70/354672870.db2.gz UQWPGFAXSZNLQP-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO CCCC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000345497701 354680772 /nfs/dbraw/zinc/68/07/72/354680772.db2.gz WWXSFCWNVWNVON-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(C)(C)C)CC[S@]1=O ZINC000345729178 354745819 /nfs/dbraw/zinc/74/58/19/354745819.db2.gz OFHYBWLKZZDHIP-MEBBXXQBSA-N 1 2 233.377 1.254 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(C)(C)C)CC[S@]1=O ZINC000345729178 354745821 /nfs/dbraw/zinc/74/58/21/354745821.db2.gz OFHYBWLKZZDHIP-MEBBXXQBSA-N 1 2 233.377 1.254 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(C)ns1 ZINC000639211112 354746730 /nfs/dbraw/zinc/74/67/30/354746730.db2.gz MNYVJCYEKZRBAC-NSHDSACASA-N 1 2 239.388 1.978 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1cc(C)ns1 ZINC000639211112 354746732 /nfs/dbraw/zinc/74/67/32/354746732.db2.gz MNYVJCYEKZRBAC-NSHDSACASA-N 1 2 239.388 1.978 20 0 BDADLO Cc1ncc([C@H](C)[N@@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000639218458 354869537 /nfs/dbraw/zinc/86/95/37/354869537.db2.gz NNNAVNSRMXUXDF-ONGXEEELSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@H](C)[N@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000639218458 354869539 /nfs/dbraw/zinc/86/95/39/354869539.db2.gz NNNAVNSRMXUXDF-ONGXEEELSA-N 1 2 235.331 1.875 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000346133559 354870040 /nfs/dbraw/zinc/87/00/40/354870040.db2.gz MVBKKCRDBLKLRO-VIFPVBQESA-N 1 2 239.344 1.155 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000346133559 354870041 /nfs/dbraw/zinc/87/00/41/354870041.db2.gz MVBKKCRDBLKLRO-VIFPVBQESA-N 1 2 239.344 1.155 20 0 BDADLO CCc1cnc(C[N@H+](CCO)CCOC)s1 ZINC000346142803 354870651 /nfs/dbraw/zinc/87/06/51/354870651.db2.gz COEZHFYGXYYWGY-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO CCc1cnc(C[N@@H+](CCO)CCOC)s1 ZINC000346142803 354870652 /nfs/dbraw/zinc/87/06/52/354870652.db2.gz COEZHFYGXYYWGY-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCO[C@H]2C2CC2)c[nH+]1 ZINC000335142004 354847066 /nfs/dbraw/zinc/84/70/66/354847066.db2.gz LKXQPXBPIICJNM-AAEUAGOBSA-N 1 2 249.314 1.406 20 0 BDADLO Nc1c(F)cccc1C[N@H+](C1CC1)C1COC1 ZINC000639216647 354853777 /nfs/dbraw/zinc/85/37/77/354853777.db2.gz ZBWJJCXIWROZHA-UHFFFAOYSA-N 1 2 236.290 1.771 20 0 BDADLO Nc1c(F)cccc1C[N@@H+](C1CC1)C1COC1 ZINC000639216647 354853779 /nfs/dbraw/zinc/85/37/79/354853779.db2.gz ZBWJJCXIWROZHA-UHFFFAOYSA-N 1 2 236.290 1.771 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cncc(O)c1 ZINC000346327632 354897348 /nfs/dbraw/zinc/89/73/48/354897348.db2.gz JMSYHBTUBAFNOO-UHFFFAOYSA-N 1 2 245.238 1.443 20 0 BDADLO c1cc(N2CCCC2)c[nH+]c1N[C@@H]1CCOC1 ZINC000346418324 354920571 /nfs/dbraw/zinc/92/05/71/354920571.db2.gz MJCJPOYVBUDRCO-LLVKDONJSA-N 1 2 233.315 1.883 20 0 BDADLO CS[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346424068 354925696 /nfs/dbraw/zinc/92/56/96/354925696.db2.gz BTIBLXCREXUVMP-ZETCQYMHSA-N 1 2 213.306 1.120 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)n(C)n1 ZINC000335176563 354945380 /nfs/dbraw/zinc/94/53/80/354945380.db2.gz GXSWESBLPXMSSH-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCC3)C2)n(C)n1 ZINC000335176563 354945382 /nfs/dbraw/zinc/94/53/82/354945382.db2.gz GXSWESBLPXMSSH-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335179949 354953880 /nfs/dbraw/zinc/95/38/80/354953880.db2.gz FVVAXBKSNOOGQH-MFKMUULPSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335179949 354953883 /nfs/dbraw/zinc/95/38/83/354953883.db2.gz FVVAXBKSNOOGQH-MFKMUULPSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335179949 354953887 /nfs/dbraw/zinc/95/38/87/354953887.db2.gz FVVAXBKSNOOGQH-MFKMUULPSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335179949 354953888 /nfs/dbraw/zinc/95/38/88/354953888.db2.gz FVVAXBKSNOOGQH-MFKMUULPSA-N 1 2 235.331 1.717 20 0 BDADLO COCCc1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000639226913 355045965 /nfs/dbraw/zinc/04/59/65/355045965.db2.gz GMZUDWJUKDIXBU-SECBINFHSA-N 1 2 244.335 1.876 20 0 BDADLO COCCc1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000639226913 355045967 /nfs/dbraw/zinc/04/59/67/355045967.db2.gz GMZUDWJUKDIXBU-SECBINFHSA-N 1 2 244.335 1.876 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335206746 355042358 /nfs/dbraw/zinc/04/23/58/355042358.db2.gz DFUQPBMZQWCKAA-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C(F)F)n1)c1cn[nH]c1 ZINC000346673082 355008364 /nfs/dbraw/zinc/00/83/64/355008364.db2.gz RZSQNFHYDIZDMY-ZETCQYMHSA-N 1 2 241.245 1.852 20 0 BDADLO [NH3+][C@@H](C(=O)NC1CCCC1)c1cscn1 ZINC000335229081 355071406 /nfs/dbraw/zinc/07/14/06/355071406.db2.gz JPIRTJARNGDNIM-SECBINFHSA-N 1 2 225.317 1.202 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2nccn2C)c(=O)[nH]1 ZINC000346811717 355120971 /nfs/dbraw/zinc/12/09/71/355120971.db2.gz VDCPJHNDWXVVIG-QMMMGPOBSA-N 1 2 247.302 1.075 20 0 BDADLO Cc1cc(NC(=O)c2cncnc2C)cc[nH+]1 ZINC000346815527 355123107 /nfs/dbraw/zinc/12/31/07/355123107.db2.gz KSHAHIYQWHEUOJ-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000346728853 355088145 /nfs/dbraw/zinc/08/81/45/355088145.db2.gz BWGHLJHTXOQDGN-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1C ZINC000639230023 355144787 /nfs/dbraw/zinc/14/47/87/355144787.db2.gz GHHSGLBIABHIMZ-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1C ZINC000639230023 355144790 /nfs/dbraw/zinc/14/47/90/355144790.db2.gz GHHSGLBIABHIMZ-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@H](C)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000346892945 355146476 /nfs/dbraw/zinc/14/64/76/355146476.db2.gz KIFRKHSMYRLTCM-VIFPVBQESA-N 1 2 234.303 1.983 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1nncn1C ZINC000346908309 355151024 /nfs/dbraw/zinc/15/10/24/355151024.db2.gz RTQADMZNFWBIEM-GHMZBOCLSA-N 1 2 238.335 1.377 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1nncn1C ZINC000346908309 355151028 /nfs/dbraw/zinc/15/10/28/355151028.db2.gz RTQADMZNFWBIEM-GHMZBOCLSA-N 1 2 238.335 1.377 20 0 BDADLO C[C@H](O)CCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413174615 191361073 /nfs/dbraw/zinc/36/10/73/191361073.db2.gz PVRHCYNZVLVOFN-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO C[C@H](O)CCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413174615 191361075 /nfs/dbraw/zinc/36/10/75/191361075.db2.gz PVRHCYNZVLVOFN-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO COc1cc(C)[nH+]c(CSCC(N)=O)c1 ZINC000413020865 191342731 /nfs/dbraw/zinc/34/27/31/191342731.db2.gz VFJFGZPXJGENLG-UHFFFAOYSA-N 1 2 226.301 1.117 20 0 BDADLO CC[C@@](C)(O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413107797 191354862 /nfs/dbraw/zinc/35/48/62/191354862.db2.gz LATSXIZBYVDPRA-GFCCVEGCSA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@@](C)(O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413107797 191354864 /nfs/dbraw/zinc/35/48/64/191354864.db2.gz LATSXIZBYVDPRA-GFCCVEGCSA-N 1 2 236.319 1.624 20 0 BDADLO CCCCOCC[N@H+](C)Cc1nncn1C ZINC000347677647 355264168 /nfs/dbraw/zinc/26/41/68/355264168.db2.gz WRXDPSHJPWPIBL-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1nncn1C ZINC000347677647 355264174 /nfs/dbraw/zinc/26/41/74/355264174.db2.gz WRXDPSHJPWPIBL-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO Cc1nc(NCC(C)(C)OCC2CC2)cc[nH+]1 ZINC000413515790 191391669 /nfs/dbraw/zinc/39/16/69/191391669.db2.gz OXSFPLJOVSZCOM-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347685163 355269456 /nfs/dbraw/zinc/26/94/56/355269456.db2.gz PDZBYWMBUFCRMP-SECBINFHSA-N 1 2 245.273 1.747 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347685163 355269458 /nfs/dbraw/zinc/26/94/58/355269458.db2.gz PDZBYWMBUFCRMP-SECBINFHSA-N 1 2 245.273 1.747 20 0 BDADLO CC/C=C\CC[N@H+](C)Cc1nncn1C ZINC000347640816 355271256 /nfs/dbraw/zinc/27/12/56/355271256.db2.gz AWYWWXWMYXPCOJ-WAYWQWQTSA-N 1 2 208.309 1.603 20 0 BDADLO CC/C=C\CC[N@@H+](C)Cc1nncn1C ZINC000347640816 355271260 /nfs/dbraw/zinc/27/12/60/355271260.db2.gz AWYWWXWMYXPCOJ-WAYWQWQTSA-N 1 2 208.309 1.603 20 0 BDADLO C[C@@H]1C[C@H](O)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413576786 191394938 /nfs/dbraw/zinc/39/49/38/191394938.db2.gz IVNKYDZHHANIHC-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1C[C@H](O)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413576786 191394939 /nfs/dbraw/zinc/39/49/39/191394939.db2.gz IVNKYDZHHANIHC-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(CC)nc1 ZINC000347595842 355250994 /nfs/dbraw/zinc/25/09/94/355250994.db2.gz UVMJTKRYMGNMRE-UHFFFAOYSA-N 1 2 249.358 1.602 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(CC)nc1 ZINC000347595842 355250996 /nfs/dbraw/zinc/25/09/96/355250996.db2.gz UVMJTKRYMGNMRE-UHFFFAOYSA-N 1 2 249.358 1.602 20 0 BDADLO COc1nc(C)ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000347598550 355251327 /nfs/dbraw/zinc/25/13/27/355251327.db2.gz QUSITLWXKIFPSG-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413233239 191365492 /nfs/dbraw/zinc/36/54/92/191365492.db2.gz PRGNPHOCKPGNCK-QUCGXOGASA-N 1 2 248.330 1.790 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413233239 191365493 /nfs/dbraw/zinc/36/54/93/191365493.db2.gz PRGNPHOCKPGNCK-QUCGXOGASA-N 1 2 248.330 1.790 20 0 BDADLO CO[C@H](C)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413301392 191370307 /nfs/dbraw/zinc/37/03/07/191370307.db2.gz XMMJFXOHPCOBSQ-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@H](C)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413301392 191370310 /nfs/dbraw/zinc/37/03/10/191370310.db2.gz XMMJFXOHPCOBSQ-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO Cc1ccc(CCNc2nc(C)cc(C)n2)[nH+]c1 ZINC000413353767 191373330 /nfs/dbraw/zinc/37/33/30/191373330.db2.gz PRYQIEJKKHZZQK-UHFFFAOYSA-N 1 2 242.326 1.873 20 0 BDADLO Cc1cnc(C[NH+]2CC3(C2)CCOCC3)o1 ZINC000639252556 355288854 /nfs/dbraw/zinc/28/88/54/355288854.db2.gz KQHJRRNMXLKGHR-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO CC(C)N(C)c1ccc(C[NH+]2CC(C)(O)C2)cn1 ZINC000639253274 355290647 /nfs/dbraw/zinc/29/06/47/355290647.db2.gz CHNDDBGMDSMWLI-UHFFFAOYSA-N 1 2 249.358 1.493 20 0 BDADLO CC(C)Cc1ncc(C[NH+]2CC(C)(O)C2)s1 ZINC000639253483 355290833 /nfs/dbraw/zinc/29/08/33/355290833.db2.gz GWOUCDHNGYNVOP-UHFFFAOYSA-N 1 2 240.372 1.908 20 0 BDADLO Cc1nc2ccccc2nc1C[NH+]1CC(C)(O)C1 ZINC000639253438 355291325 /nfs/dbraw/zinc/29/13/25/355291325.db2.gz GAFMKUFISOSVTG-UHFFFAOYSA-N 1 2 243.310 1.505 20 0 BDADLO COc1ccccc1/C=C\C[NH+]1CC(C)(O)C1 ZINC000639254448 355291386 /nfs/dbraw/zinc/29/13/86/355291386.db2.gz VCASSVKIQHSSBK-ALCCZGGFSA-N 1 2 233.311 1.775 20 0 BDADLO Cc1ccc(F)c(C[NH+]2CC(C)(O)C2)c1 ZINC000639253922 355292647 /nfs/dbraw/zinc/29/26/47/355292647.db2.gz JBKRQVMTBIUDGH-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(O)C2)c(OC)c1 ZINC000639254563 355295563 /nfs/dbraw/zinc/29/55/63/355295563.db2.gz ZTHXRMLKVVVJDQ-UHFFFAOYSA-N 1 2 237.299 1.270 20 0 BDADLO Cn1ncc2c1CCC[N@H+](Cc1ccns1)C2 ZINC000639262586 355316712 /nfs/dbraw/zinc/31/67/12/355316712.db2.gz ZFVLAHVFFPVUPO-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1ncc2c1CCC[N@@H+](Cc1ccns1)C2 ZINC000639262586 355316715 /nfs/dbraw/zinc/31/67/15/355316715.db2.gz ZFVLAHVFFPVUPO-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccon1 ZINC000349235781 355372764 /nfs/dbraw/zinc/37/27/64/355372764.db2.gz GIBOSWKJNIYVFK-SECBINFHSA-N 1 2 237.303 1.194 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349238212 355373085 /nfs/dbraw/zinc/37/30/85/355373085.db2.gz GVVXTGHWOXPLJK-AEJSXWLSSA-N 1 2 239.319 1.628 20 0 BDADLO CCc1ncc(C[N@@H+]2CCc3n[nH]cc3C2)s1 ZINC000623238198 355380204 /nfs/dbraw/zinc/38/02/04/355380204.db2.gz YSODHIUZKHRVMZ-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO CCc1ncc(C[N@H+]2CCc3n[nH]cc3C2)s1 ZINC000623238198 355380205 /nfs/dbraw/zinc/38/02/05/355380205.db2.gz YSODHIUZKHRVMZ-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000582165389 355384181 /nfs/dbraw/zinc/38/41/81/355384181.db2.gz QSOIEDCCIXJKRT-OUAUKWLOSA-N 1 2 247.342 1.992 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000582165389 355384185 /nfs/dbraw/zinc/38/41/85/355384185.db2.gz QSOIEDCCIXJKRT-OUAUKWLOSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)nn1 ZINC000414432200 191508092 /nfs/dbraw/zinc/50/80/92/191508092.db2.gz ISOQZNLLNOAPCL-TUAOUCFPSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)nn1 ZINC000414432200 191508093 /nfs/dbraw/zinc/50/80/93/191508093.db2.gz ISOQZNLLNOAPCL-TUAOUCFPSA-N 1 2 235.331 1.783 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000349679664 355410236 /nfs/dbraw/zinc/41/02/36/355410236.db2.gz MFUWAOKWEIWEDL-QWRGUYRKSA-N 1 2 236.319 1.371 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CO)c2ccsc2)cn1 ZINC000349695150 355412576 /nfs/dbraw/zinc/41/25/76/355412576.db2.gz CDMUXOPUHFBNBL-LBPRGKRZSA-N 1 2 249.339 1.670 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)c1ccccc1 ZINC000349743488 355421426 /nfs/dbraw/zinc/42/14/26/355421426.db2.gz LAHJWPPVHSMGBA-UHFFFAOYSA-N 1 2 243.266 1.251 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CSC[C@@H]2C)c[nH+]1 ZINC000335813880 355501986 /nfs/dbraw/zinc/50/19/86/355501986.db2.gz YGGVQYOQFUZONT-RCOVLWMOSA-N 1 2 225.317 1.199 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335821397 355540328 /nfs/dbraw/zinc/54/03/28/355540328.db2.gz DMDUXXPYLCECTH-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335821397 355540330 /nfs/dbraw/zinc/54/03/30/355540330.db2.gz DMDUXXPYLCECTH-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO CCC1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000335829914 355555988 /nfs/dbraw/zinc/55/59/88/355555988.db2.gz QSJHFBQMDBBGKC-UHFFFAOYSA-N 1 2 235.331 1.946 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335831006 355557705 /nfs/dbraw/zinc/55/77/05/355557705.db2.gz LCIMUKXCJDRJDT-HQJPKXNMSA-N 1 2 241.360 1.059 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335831006 355557710 /nfs/dbraw/zinc/55/77/10/355557710.db2.gz LCIMUKXCJDRJDT-HQJPKXNMSA-N 1 2 241.360 1.059 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H](O)C1 ZINC000335831430 355558233 /nfs/dbraw/zinc/55/82/33/355558233.db2.gz CZUPVYDSEUXGRO-MRVPVSSYSA-N 1 2 235.262 1.283 20 0 BDADLO Cc1nc(N2CCO[C@H](C(C)C)C2)cc[nH+]1 ZINC000349895553 355521524 /nfs/dbraw/zinc/52/15/24/355521524.db2.gz ROEBARQJSMRBQY-NSHDSACASA-N 1 2 221.304 1.646 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000353241623 355526452 /nfs/dbraw/zinc/52/64/52/355526452.db2.gz ZUUXKIPWRPRGCK-VIFPVBQESA-N 1 2 238.335 1.388 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000353241623 355526453 /nfs/dbraw/zinc/52/64/53/355526453.db2.gz ZUUXKIPWRPRGCK-VIFPVBQESA-N 1 2 238.335 1.388 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cnccc1C ZINC000349922733 355528406 /nfs/dbraw/zinc/52/84/06/355528406.db2.gz SJYAVDLEHKUJRI-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cnccc1C ZINC000349922733 355528410 /nfs/dbraw/zinc/52/84/10/355528410.db2.gz SJYAVDLEHKUJRI-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335851861 355595712 /nfs/dbraw/zinc/59/57/12/355595712.db2.gz CAHRKKFXQJNOMB-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335851861 355595715 /nfs/dbraw/zinc/59/57/15/355595715.db2.gz CAHRKKFXQJNOMB-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCn2cnnc2C1 ZINC000350120481 355608102 /nfs/dbraw/zinc/60/81/02/355608102.db2.gz YLOXJRKFMCENCR-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cnccc1C[N@H+]1CCn2cnnc2C1 ZINC000350120481 355608106 /nfs/dbraw/zinc/60/81/06/355608106.db2.gz YLOXJRKFMCENCR-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CCC[C@@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639310487 355669283 /nfs/dbraw/zinc/66/92/83/355669283.db2.gz PMMAEWDYQWVUKU-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639310487 355669287 /nfs/dbraw/zinc/66/92/87/355669287.db2.gz PMMAEWDYQWVUKU-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1ccc(CN(C)c2nc(C)[nH+]c(N)n2)cc1 ZINC000393975398 355701227 /nfs/dbraw/zinc/70/12/27/355701227.db2.gz HAKIGYVBLDOUNE-UHFFFAOYSA-N 1 2 243.314 1.537 20 0 BDADLO Cc1ccc(CN(C)c2nc(N)nc(C)[nH+]2)cc1 ZINC000393975398 355701230 /nfs/dbraw/zinc/70/12/30/355701230.db2.gz HAKIGYVBLDOUNE-UHFFFAOYSA-N 1 2 243.314 1.537 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320960 355722284 /nfs/dbraw/zinc/72/22/84/355722284.db2.gz QLSUTLMUJWKULW-GWCFXTLKSA-N 1 2 237.347 1.797 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320960 355722288 /nfs/dbraw/zinc/72/22/88/355722288.db2.gz QLSUTLMUJWKULW-GWCFXTLKSA-N 1 2 237.347 1.797 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccc(F)c2N)nn1 ZINC000639322013 355722913 /nfs/dbraw/zinc/72/29/13/355722913.db2.gz RHDPFNNSLIPFNF-UHFFFAOYSA-N 1 2 249.293 1.168 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccc(F)c2N)nn1 ZINC000639322013 355722916 /nfs/dbraw/zinc/72/29/16/355722916.db2.gz RHDPFNNSLIPFNF-UHFFFAOYSA-N 1 2 249.293 1.168 20 0 BDADLO COCC[N@H+](C)Cc1ccncc1Cl ZINC000350724993 355749437 /nfs/dbraw/zinc/74/94/37/355749437.db2.gz RHABLWPRJACRPD-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO COCC[N@@H+](C)Cc1ccncc1Cl ZINC000350724993 355749439 /nfs/dbraw/zinc/74/94/39/355749439.db2.gz RHABLWPRJACRPD-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO Cc1nc(C[N@H+](C)CCC[C@@H]2CCO2)no1 ZINC000639333162 355761819 /nfs/dbraw/zinc/76/18/19/355761819.db2.gz UCQPAKTYNSQGPS-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(C[N@@H+](C)CCC[C@@H]2CCO2)no1 ZINC000639333162 355761824 /nfs/dbraw/zinc/76/18/24/355761824.db2.gz UCQPAKTYNSQGPS-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000639333633 355763424 /nfs/dbraw/zinc/76/34/24/355763424.db2.gz YITAVGRMXFSBID-GWCFXTLKSA-N 1 2 246.314 1.027 20 0 BDADLO COc1cc(CNCc2[nH]cc(C)[nH+]2)on1 ZINC000639326820 355732797 /nfs/dbraw/zinc/73/27/97/355732797.db2.gz VCRRJMXKIJPMTN-UHFFFAOYSA-N 1 2 222.248 1.005 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000608498743 355827215 /nfs/dbraw/zinc/82/72/15/355827215.db2.gz WVKNSFNXXGHOMG-JGVFFNPUSA-N 1 2 213.281 1.142 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000608498743 355827217 /nfs/dbraw/zinc/82/72/17/355827217.db2.gz WVKNSFNXXGHOMG-JGVFFNPUSA-N 1 2 213.281 1.142 20 0 BDADLO Cc1cnc(C[NH2+][C@](C)(CO)c2ccccc2)o1 ZINC000608497181 355823432 /nfs/dbraw/zinc/82/34/32/355823432.db2.gz RWAGZNAVPBORNS-CQSZACIVSA-N 1 2 246.310 1.980 20 0 BDADLO Cc1nc(N2CC[C@@H](C)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631179652 355842394 /nfs/dbraw/zinc/84/23/94/355842394.db2.gz XBACLSXOLJWLQG-RKDXNWHRSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C)C[C@@H](C)C2)[nH+]1 ZINC000631179652 355842396 /nfs/dbraw/zinc/84/23/96/355842396.db2.gz XBACLSXOLJWLQG-RKDXNWHRSA-N 1 2 235.335 1.465 20 0 BDADLO C[C@@H](Cc1ccsc1)[NH2+]Cc1c[nH]nn1 ZINC000628363042 355846405 /nfs/dbraw/zinc/84/64/05/355846405.db2.gz SFTYNWRZXJQZBZ-QMMMGPOBSA-N 1 2 222.317 1.587 20 0 BDADLO C[C@@H](Cc1ccsc1)[NH2+]Cc1cn[nH]n1 ZINC000628363042 355846408 /nfs/dbraw/zinc/84/64/08/355846408.db2.gz SFTYNWRZXJQZBZ-QMMMGPOBSA-N 1 2 222.317 1.587 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254114 355852887 /nfs/dbraw/zinc/85/28/87/355852887.db2.gz IICTWVPSTATRJJ-VIFPVBQESA-N 1 2 231.255 1.139 20 0 BDADLO Cc1ccoc1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254501 355855279 /nfs/dbraw/zinc/85/52/79/355855279.db2.gz DZNMDFKGQFRXBB-JTQLQIEISA-N 1 2 245.282 1.068 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255661 355860528 /nfs/dbraw/zinc/86/05/28/355860528.db2.gz OIERJTDDKMXWFA-WZRBSPASSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CC2(CCC2)C1 ZINC000623255820 355861461 /nfs/dbraw/zinc/86/14/61/355861461.db2.gz WZMZRKZLBYZAFP-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO Cn1ccnc1[C@@H]([NH2+]C1(C)COC1)C1CC1 ZINC000639380230 355916427 /nfs/dbraw/zinc/91/64/27/355916427.db2.gz CGHZVNNWJYQQJU-JTQLQIEISA-N 1 2 221.304 1.250 20 0 BDADLO CC1([NH2+]Cc2cnc(-c3ccccc3)[nH]2)COC1 ZINC000639381838 355924603 /nfs/dbraw/zinc/92/46/03/355924603.db2.gz JJZZJUXFAVZABR-UHFFFAOYSA-N 1 2 243.310 1.955 20 0 BDADLO CC1([NH2+]Cc2c[nH]c(-c3ccccc3)n2)COC1 ZINC000639381838 355924605 /nfs/dbraw/zinc/92/46/05/355924605.db2.gz JJZZJUXFAVZABR-UHFFFAOYSA-N 1 2 243.310 1.955 20 0 BDADLO CC(C)N(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000336051026 134064503 /nfs/dbraw/zinc/06/45/03/134064503.db2.gz ISAUKKIUNYNFRG-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000336051026 134064504 /nfs/dbraw/zinc/06/45/04/134064504.db2.gz ISAUKKIUNYNFRG-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H](CC(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256780 355974507 /nfs/dbraw/zinc/97/45/07/355974507.db2.gz VBUOAVLKOMSHHY-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623256887 355985173 /nfs/dbraw/zinc/98/51/73/355985173.db2.gz YZMZJXXGLBZONM-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@H]2CCCOC2)no1 ZINC000351487290 355998653 /nfs/dbraw/zinc/99/86/53/355998653.db2.gz CDNGAMHRRPWXPC-GXSJLCMTSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@H]2CCCOC2)no1 ZINC000351487290 355998655 /nfs/dbraw/zinc/99/86/55/355998655.db2.gz CDNGAMHRRPWXPC-GXSJLCMTSA-N 1 2 239.319 1.797 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000351496188 356002327 /nfs/dbraw/zinc/00/23/27/356002327.db2.gz VXMPPKUVSCVSDC-MRXNPFEDSA-N 1 2 247.404 1.644 20 0 BDADLO CC(C)(C)OCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000351496188 356002331 /nfs/dbraw/zinc/00/23/31/356002331.db2.gz VXMPPKUVSCVSDC-MRXNPFEDSA-N 1 2 247.404 1.644 20 0 BDADLO CC(C)[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000351102783 355947666 /nfs/dbraw/zinc/94/76/66/355947666.db2.gz QMWWDHRVKCZFNU-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000351102783 355947670 /nfs/dbraw/zinc/94/76/70/355947670.db2.gz QMWWDHRVKCZFNU-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351107205 355949227 /nfs/dbraw/zinc/94/92/27/355949227.db2.gz YBBDYVJEUKAJPW-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351107205 355949232 /nfs/dbraw/zinc/94/92/32/355949232.db2.gz YBBDYVJEUKAJPW-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000351505992 356004574 /nfs/dbraw/zinc/00/45/74/356004574.db2.gz QRMZWSGTPSXIOO-LDYMZIIASA-N 1 2 233.315 1.479 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747249 355969968 /nfs/dbraw/zinc/96/99/68/355969968.db2.gz BXGWBFURJZIWON-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747249 355969972 /nfs/dbraw/zinc/96/99/72/355969972.db2.gz BXGWBFURJZIWON-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000351628992 356035231 /nfs/dbraw/zinc/03/52/31/356035231.db2.gz OCLLQUQKDUFQOA-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1ncccc1C[N@H+]1CCn2cnnc2[C@H]1C ZINC000351628992 356035236 /nfs/dbraw/zinc/03/52/36/356035236.db2.gz OCLLQUQKDUFQOA-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000351531576 356010276 /nfs/dbraw/zinc/01/02/76/356010276.db2.gz FDSLEPLACMHTKM-LLVKDONJSA-N 1 2 243.314 1.554 20 0 BDADLO Nc1ccnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000351531576 356010279 /nfs/dbraw/zinc/01/02/79/356010279.db2.gz FDSLEPLACMHTKM-LLVKDONJSA-N 1 2 243.314 1.554 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257728 356027547 /nfs/dbraw/zinc/02/75/47/356027547.db2.gz SFNHIVZWKMFBGW-NQBHXWOUSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623258190 356065453 /nfs/dbraw/zinc/06/54/53/356065453.db2.gz JFKKEWLHVZPRRA-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@H]2CCC[C@H]2O)no1 ZINC000351711336 356066188 /nfs/dbraw/zinc/06/61/88/356066188.db2.gz HTAJBWBADXRRGY-JMJZKYOTSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@H]2CCC[C@H]2O)no1 ZINC000351711336 356066192 /nfs/dbraw/zinc/06/61/92/356066192.db2.gz HTAJBWBADXRRGY-JMJZKYOTSA-N 1 2 239.319 1.532 20 0 BDADLO NC(=O)Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715220 181247682 /nfs/dbraw/zinc/24/76/82/181247682.db2.gz QSLYEXKUHBJDAE-UHFFFAOYSA-N 1 2 230.271 1.050 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cncn1C ZINC000336092974 134079122 /nfs/dbraw/zinc/07/91/22/134079122.db2.gz LZUUEJQNMLNASP-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1COC(C)(C)CN1Cc1c[nH+]cn1C ZINC000336092974 134079123 /nfs/dbraw/zinc/07/91/23/134079123.db2.gz LZUUEJQNMLNASP-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO CNC(=O)[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000336096531 134080353 /nfs/dbraw/zinc/08/03/53/134080353.db2.gz BYOHUNFKRRTNTM-QMMMGPOBSA-N 1 2 247.273 1.920 20 0 BDADLO C[C@@H](CC(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261398 356150878 /nfs/dbraw/zinc/15/08/78/356150878.db2.gz PLBGCJXDJSVQJI-QWRGUYRKSA-N 1 2 249.358 1.996 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261478 356152195 /nfs/dbraw/zinc/15/21/95/356152195.db2.gz TZORACGUXRDFIW-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@@H](OC)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332375966 356213422 /nfs/dbraw/zinc/21/34/22/356213422.db2.gz DUXPOPFBAWDGAC-NXEZZACHSA-N 1 2 237.303 1.498 20 0 BDADLO COCC[N@H+](CC(C)=O)Cc1ccco1 ZINC000639450629 356235726 /nfs/dbraw/zinc/23/57/26/356235726.db2.gz VAGMGCUJECOIJW-UHFFFAOYSA-N 1 2 211.261 1.317 20 0 BDADLO COCC[N@@H+](CC(C)=O)Cc1ccco1 ZINC000639450629 356235728 /nfs/dbraw/zinc/23/57/28/356235728.db2.gz VAGMGCUJECOIJW-UHFFFAOYSA-N 1 2 211.261 1.317 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000623264296 356233025 /nfs/dbraw/zinc/23/30/25/356233025.db2.gz JPVVYANDXDWTSX-FTYKPCCVSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000623264693 356236586 /nfs/dbraw/zinc/23/65/86/356236586.db2.gz QPYNNQBXTOOMGA-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO CN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC1(C)C ZINC000336108192 134085273 /nfs/dbraw/zinc/08/52/73/134085273.db2.gz UFWDUJUTXPADOM-VIFPVBQESA-N 1 2 236.319 1.360 20 0 BDADLO CCCCOCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000347961682 535299229 /nfs/dbraw/zinc/29/92/29/535299229.db2.gz NQXSPHRWXQYGNK-SNVBAGLBSA-N 1 2 239.319 1.794 20 0 BDADLO CC[C@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000617640244 356249101 /nfs/dbraw/zinc/24/91/01/356249101.db2.gz WNDLTEFKZLVXCA-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000298432395 181263439 /nfs/dbraw/zinc/26/34/39/181263439.db2.gz GFLZPDKDWADITR-UHFFFAOYSA-N 1 2 240.332 1.620 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(C2CCC2)no1 ZINC000639503497 356330536 /nfs/dbraw/zinc/33/05/36/356330536.db2.gz IDWCRYFYGNCUMO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(C2CCC2)no1 ZINC000639503497 356330540 /nfs/dbraw/zinc/33/05/40/356330540.db2.gz IDWCRYFYGNCUMO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccnc1 ZINC000336130638 134094197 /nfs/dbraw/zinc/09/41/97/134094197.db2.gz PHCVJJIUBIRLFA-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccnc1 ZINC000336130638 134094198 /nfs/dbraw/zinc/09/41/98/134094198.db2.gz PHCVJJIUBIRLFA-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO CC[C@@](C)([NH2+]CC(C)=O)c1nccs1 ZINC000639532354 356381708 /nfs/dbraw/zinc/38/17/08/356381708.db2.gz FGCPKXFXPJOVCF-SNVBAGLBSA-N 1 2 212.318 1.947 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639547816 356411231 /nfs/dbraw/zinc/41/12/31/356411231.db2.gz COSREYRGJWINJH-NSHDSACASA-N 1 2 237.347 1.667 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639547816 356411234 /nfs/dbraw/zinc/41/12/34/356411234.db2.gz COSREYRGJWINJH-NSHDSACASA-N 1 2 237.347 1.667 20 0 BDADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C)[nH]1 ZINC000623274619 356408317 /nfs/dbraw/zinc/40/83/17/356408317.db2.gz QNWLZPXPSYNVJN-JTQLQIEISA-N 1 2 244.298 1.183 20 0 BDADLO C[C@@H]1C[C@@H](CO)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000420623142 192250656 /nfs/dbraw/zinc/25/06/56/192250656.db2.gz JKFYFRQOMNXDCL-GHMZBOCLSA-N 1 2 247.342 1.809 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)CC[C@H]2C)[nH+]1 ZINC000420631239 192251106 /nfs/dbraw/zinc/25/11/06/192251106.db2.gz IQHZQNUXRIOMJO-SCZZXKLOSA-N 1 2 246.314 1.616 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000420632610 192252460 /nfs/dbraw/zinc/25/24/60/192252460.db2.gz RSEQLLOWVWPLHJ-NOZJJQNGSA-N 1 2 249.358 1.857 20 0 BDADLO CNC(=O)[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000420618064 192249766 /nfs/dbraw/zinc/24/97/66/192249766.db2.gz LNWXTVUCNSUJES-JTQLQIEISA-N 1 2 248.330 1.172 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000336160908 134111276 /nfs/dbraw/zinc/11/12/76/134111276.db2.gz IQBCFCZQRIFMNA-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO CC1=CC[N@H+](CC(=O)Nc2ccccn2)CC1 ZINC000639567217 356486970 /nfs/dbraw/zinc/48/69/70/356486970.db2.gz NUINRMCRFZSWOI-UHFFFAOYSA-N 1 2 231.299 1.672 20 0 BDADLO CC1=CC[N@@H+](CC(=O)Nc2ccccn2)CC1 ZINC000639567217 356486971 /nfs/dbraw/zinc/48/69/71/356486971.db2.gz NUINRMCRFZSWOI-UHFFFAOYSA-N 1 2 231.299 1.672 20 0 BDADLO CC(C)c1nc(N2C[C@@H](O)CC[C@H]2C)cc[nH+]1 ZINC000420636202 192252512 /nfs/dbraw/zinc/25/25/12/192252512.db2.gz MNJDJYDRHYQOSZ-MNOVXSKESA-N 1 2 235.331 1.950 20 0 BDADLO c1cc(N2CC[C@]23CCOC3)nc(C2CC2)[nH+]1 ZINC000420633910 192252686 /nfs/dbraw/zinc/25/26/86/192252686.db2.gz CNIBOYNOLFNQEQ-CYBMUJFWSA-N 1 2 231.299 1.723 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@]23CCOC3)[nH+]1 ZINC000420633216 192253065 /nfs/dbraw/zinc/25/30/65/192253065.db2.gz BMAFIHRBZACUQD-CYBMUJFWSA-N 1 2 244.298 1.636 20 0 BDADLO Cc1ccccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623282381 356467700 /nfs/dbraw/zinc/46/77/00/356467700.db2.gz VSXIHMNPUPZRIR-NSHDSACASA-N 1 2 241.294 1.546 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccs1 ZINC000623282465 356467710 /nfs/dbraw/zinc/46/77/10/356467710.db2.gz YLODRXNJINFURK-MRVPVSSYSA-N 1 2 233.296 1.299 20 0 BDADLO CC[C@@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000420918512 192273582 /nfs/dbraw/zinc/27/35/82/192273582.db2.gz PVFIZHJXLVEKMM-SECBINFHSA-N 1 2 224.308 1.265 20 0 BDADLO Cc1cc(C)c(CN2CC(=O)N(C)C2)c(C)[nH+]1 ZINC000639571828 356496224 /nfs/dbraw/zinc/49/62/24/356496224.db2.gz VJBIUGYSILGLFE-UHFFFAOYSA-N 1 2 233.315 1.238 20 0 BDADLO CC[C@H](C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000420822108 192263278 /nfs/dbraw/zinc/26/32/78/192263278.db2.gz NWDKPRRFVXOTIZ-QWRGUYRKSA-N 1 2 238.335 1.617 20 0 BDADLO COC[C@H]([NH2+]CC(C)=O)c1ccc(C)o1 ZINC000639579183 356499832 /nfs/dbraw/zinc/49/98/32/356499832.db2.gz XBWZKKYBMVKIKQ-JTQLQIEISA-N 1 2 211.261 1.454 20 0 BDADLO COC[C@@H]([NH2+]CC(C)=O)c1ccc(C)o1 ZINC000639579185 356499875 /nfs/dbraw/zinc/49/98/75/356499875.db2.gz XBWZKKYBMVKIKQ-SNVBAGLBSA-N 1 2 211.261 1.454 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(CC2CC2)no1)c1cn[nH]c1 ZINC000639582472 356502812 /nfs/dbraw/zinc/50/28/12/356502812.db2.gz CTUWMEHYMPGKLZ-MRVPVSSYSA-N 1 2 247.302 1.596 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000639582386 356503045 /nfs/dbraw/zinc/50/30/45/356503045.db2.gz ADKYFVATOGNQGD-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO CCC(F)(F)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000639582386 356503048 /nfs/dbraw/zinc/50/30/48/356503048.db2.gz ADKYFVATOGNQGD-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000639575815 356503967 /nfs/dbraw/zinc/50/39/67/356503967.db2.gz OGSMXCVNPHRJFJ-QMMMGPOBSA-N 1 2 207.220 1.279 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000639575815 356503969 /nfs/dbraw/zinc/50/39/69/356503969.db2.gz OGSMXCVNPHRJFJ-QMMMGPOBSA-N 1 2 207.220 1.279 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@H]1CO ZINC000336171036 134115305 /nfs/dbraw/zinc/11/53/05/134115305.db2.gz XJXVKLQLPXKDIS-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@H]1CO ZINC000336171036 134115306 /nfs/dbraw/zinc/11/53/06/134115306.db2.gz XJXVKLQLPXKDIS-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO CC(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000639584011 356507350 /nfs/dbraw/zinc/50/73/50/356507350.db2.gz SYFFPUSWRYLUIA-ZDUSSCGKSA-N 1 2 225.332 1.857 20 0 BDADLO CC(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000639584011 356507355 /nfs/dbraw/zinc/50/73/55/356507355.db2.gz SYFFPUSWRYLUIA-ZDUSSCGKSA-N 1 2 225.332 1.857 20 0 BDADLO Cc1cc(NC(=O)c2cn(C)cn2)cc[nH+]1 ZINC000179407898 366252621 /nfs/dbraw/zinc/25/26/21/366252621.db2.gz FYANOFZYDNHIEE-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)[C@H](C)C2)[nH+]c1C ZINC000639593161 356510058 /nfs/dbraw/zinc/51/00/58/356510058.db2.gz QJBZKQGYZDIEEN-MRVPVSSYSA-N 1 2 221.304 1.437 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)[C@@H](C)C2)[nH+]c1C ZINC000639593168 356510395 /nfs/dbraw/zinc/51/03/95/356510395.db2.gz QJBZKQGYZDIEEN-QMMMGPOBSA-N 1 2 221.304 1.437 20 0 BDADLO CC[C@@H](F)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950983 192277876 /nfs/dbraw/zinc/27/78/76/192277876.db2.gz XTJBCFAUWMOQSM-ZJUUUORDSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@@H](F)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950983 192277877 /nfs/dbraw/zinc/27/78/77/192277877.db2.gz XTJBCFAUWMOQSM-ZJUUUORDSA-N 1 2 219.300 1.206 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000639606953 356527426 /nfs/dbraw/zinc/52/74/26/356527426.db2.gz OLGPQMBTKVIYGB-GUBZILKMSA-N 1 2 246.301 1.618 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000639606953 356527431 /nfs/dbraw/zinc/52/74/31/356527431.db2.gz OLGPQMBTKVIYGB-GUBZILKMSA-N 1 2 246.301 1.618 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H](CC)O1 ZINC000420959670 192280931 /nfs/dbraw/zinc/28/09/31/192280931.db2.gz QMCIWTRIUWDKAT-TXEJJXNPSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H](CC)O1 ZINC000420959670 192280932 /nfs/dbraw/zinc/28/09/32/192280932.db2.gz QMCIWTRIUWDKAT-TXEJJXNPSA-N 1 2 240.347 1.108 20 0 BDADLO CCC(F)(F)C[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000639617043 356534042 /nfs/dbraw/zinc/53/40/42/356534042.db2.gz IEJNLTIIGNDYBA-ZJUUUORDSA-N 1 2 237.290 1.815 20 0 BDADLO COCC[N@H+](CC(C)=O)Cc1cccnc1 ZINC000639600962 356519966 /nfs/dbraw/zinc/51/99/66/356519966.db2.gz MDRQLLBHYSDCTP-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO COCC[N@@H+](CC(C)=O)Cc1cccnc1 ZINC000639600962 356519969 /nfs/dbraw/zinc/51/99/69/356519969.db2.gz MDRQLLBHYSDCTP-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cnn2ccccc12 ZINC000179556855 366269287 /nfs/dbraw/zinc/26/92/87/366269287.db2.gz YMJZRTKGMXRWPK-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cnn2ccccc12 ZINC000179556855 366269291 /nfs/dbraw/zinc/26/92/91/366269291.db2.gz YMJZRTKGMXRWPK-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296691 356546333 /nfs/dbraw/zinc/54/63/33/356546333.db2.gz NXYOFNMYEQOSHH-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420976657 192288396 /nfs/dbraw/zinc/28/83/96/192288396.db2.gz RBQXLCKMOZOZDW-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420976657 192288399 /nfs/dbraw/zinc/28/83/99/192288399.db2.gz RBQXLCKMOZOZDW-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC=CCC1 ZINC000623296518 356542365 /nfs/dbraw/zinc/54/23/65/356542365.db2.gz KZQIJIPJIKUGTA-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2ccon2)no1 ZINC000350415175 366277606 /nfs/dbraw/zinc/27/76/06/366277606.db2.gz FOKUFCYMKCHYMV-UHFFFAOYSA-N 1 2 231.215 1.049 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(CCO)C[C@H]2C)o1 ZINC000449788943 202039348 /nfs/dbraw/zinc/03/93/48/202039348.db2.gz YVGITEGKHHSQNI-LLVKDONJSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(CCO)C[C@H]2C)o1 ZINC000449788943 202039351 /nfs/dbraw/zinc/03/93/51/202039351.db2.gz YVGITEGKHHSQNI-LLVKDONJSA-N 1 2 238.331 1.086 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421021310 192306880 /nfs/dbraw/zinc/30/68/80/192306880.db2.gz ONRSPXHZOSEGKS-LBPRGKRZSA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421021310 192306883 /nfs/dbraw/zinc/30/68/83/192306883.db2.gz ONRSPXHZOSEGKS-LBPRGKRZSA-N 1 2 227.304 1.193 20 0 BDADLO COc1ccnc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421021314 192307006 /nfs/dbraw/zinc/30/70/06/192307006.db2.gz OOAATQXNJAKEHJ-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccnc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421021314 192307008 /nfs/dbraw/zinc/30/70/08/192307008.db2.gz OOAATQXNJAKEHJ-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300305 356561683 /nfs/dbraw/zinc/56/16/83/356561683.db2.gz OCYDCLOVOJQHNY-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)c1F ZINC000336214199 134135541 /nfs/dbraw/zinc/13/55/41/134135541.db2.gz VCFWKOYAOUUSJU-LLVKDONJSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)c1F ZINC000336214199 134135542 /nfs/dbraw/zinc/13/55/42/134135542.db2.gz VCFWKOYAOUUSJU-LLVKDONJSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1ncnn1C(C)C ZINC000162747515 363484917 /nfs/dbraw/zinc/48/49/17/363484917.db2.gz BKJBUHYZFBCUCZ-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000336207836 134132518 /nfs/dbraw/zinc/13/25/18/134132518.db2.gz ZLCKKTUCAKYADJ-CABZTGNLSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000336207836 134132519 /nfs/dbraw/zinc/13/25/19/134132519.db2.gz ZLCKKTUCAKYADJ-CABZTGNLSA-N 1 2 221.304 1.852 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000449907402 202050861 /nfs/dbraw/zinc/05/08/61/202050861.db2.gz NJASXISFUKSUHF-GXSJLCMTSA-N 1 2 221.304 1.852 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000449907402 202050865 /nfs/dbraw/zinc/05/08/65/202050865.db2.gz NJASXISFUKSUHF-GXSJLCMTSA-N 1 2 221.304 1.852 20 0 BDADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC1(C)C ZINC000336208224 134133282 /nfs/dbraw/zinc/13/32/82/134133282.db2.gz DWZIHXGAYSBAGL-JQWIXIFHSA-N 1 2 247.342 1.702 20 0 BDADLO CC[N@H+](Cc1nc(C2CCC2)no1)[C@H](C)CO ZINC000639651772 356562917 /nfs/dbraw/zinc/56/29/17/356562917.db2.gz HELFWTFWTILBHW-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@@H+](Cc1nc(C2CCC2)no1)[C@H](C)CO ZINC000639651772 356562921 /nfs/dbraw/zinc/56/29/21/356562921.db2.gz HELFWTFWTILBHW-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@H]12 ZINC000639653213 356564728 /nfs/dbraw/zinc/56/47/28/356564728.db2.gz UIZRZDXQKSHKDE-URLYPYJESA-N 1 2 249.314 1.007 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@H]12 ZINC000639653213 356564733 /nfs/dbraw/zinc/56/47/33/356564733.db2.gz UIZRZDXQKSHKDE-URLYPYJESA-N 1 2 249.314 1.007 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303454 356593487 /nfs/dbraw/zinc/59/34/87/356593487.db2.gz CPYDEAGDVCKMBQ-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO O=C1[C@H]([N@@H+]2CC[C@@H](F)C2)CCN1C1CCC1 ZINC000639665151 356579571 /nfs/dbraw/zinc/57/95/71/356579571.db2.gz XGFHMVZKMYYJOG-MWLCHTKSSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@H]([N@H+]2CC[C@@H](F)C2)CCN1C1CCC1 ZINC000639665151 356579572 /nfs/dbraw/zinc/57/95/72/356579572.db2.gz XGFHMVZKMYYJOG-MWLCHTKSSA-N 1 2 226.295 1.184 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000639665578 356580413 /nfs/dbraw/zinc/58/04/13/356580413.db2.gz ZMHTYWDUULJNDB-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000639665578 356580414 /nfs/dbraw/zinc/58/04/14/356580414.db2.gz ZMHTYWDUULJNDB-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857893 202082024 /nfs/dbraw/zinc/08/20/24/202082024.db2.gz FVMXJLKRQIKBPI-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857893 202082027 /nfs/dbraw/zinc/08/20/27/202082027.db2.gz FVMXJLKRQIKBPI-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO COCc1nc(C[NH2+][C@H](C)CF)cs1 ZINC000379658768 538455898 /nfs/dbraw/zinc/45/58/98/538455898.db2.gz NWHFRKHYBHDSSC-SSDOTTSWSA-N 1 2 218.297 1.737 20 0 BDADLO CCC(CC)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000422968453 192529844 /nfs/dbraw/zinc/52/98/44/192529844.db2.gz QYINQSDBTDEZFX-JTQLQIEISA-N 1 2 241.360 1.695 20 0 BDADLO CC1(C)C[C@H](Nc2cc(CO)cc[nH+]2)CO1 ZINC000630091422 363508668 /nfs/dbraw/zinc/50/86/68/363508668.db2.gz AFXBVKVXFYFHRU-JTQLQIEISA-N 1 2 222.288 1.553 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[C@H]1C)CC2 ZINC000627213933 363510235 /nfs/dbraw/zinc/51/02/35/363510235.db2.gz TXKMWWRZVGVBQA-YUSALJHKSA-N 1 2 247.342 1.669 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639723380 356619266 /nfs/dbraw/zinc/61/92/66/356619266.db2.gz IVVPZPVOPDMGPU-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639723380 356619269 /nfs/dbraw/zinc/61/92/69/356619269.db2.gz IVVPZPVOPDMGPU-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@H](NC(=O)c1nccnc1C)c1[nH]cc[nH+]1 ZINC000613579771 363522783 /nfs/dbraw/zinc/52/27/83/363522783.db2.gz ULBKZBTWSZMEFJ-VIFPVBQESA-N 1 2 245.286 1.389 20 0 BDADLO CC12CC(C1)CN2c1cc(CO)cc[nH+]1 ZINC000630094566 363538574 /nfs/dbraw/zinc/53/85/74/363538574.db2.gz ITTZJZYAZPSVFO-UHFFFAOYSA-N 1 2 204.273 1.563 20 0 BDADLO c1c(C[NH+]2CCSCC2)nnn1CC1CC1 ZINC000450266693 202112833 /nfs/dbraw/zinc/11/28/33/202112833.db2.gz SNCOUJVJTXRGAV-UHFFFAOYSA-N 1 2 238.360 1.237 20 0 BDADLO COCCC[N@H+](C)[C@H](C)c1csnn1 ZINC000450285178 202118243 /nfs/dbraw/zinc/11/82/43/202118243.db2.gz DZLUEIPYADSDCG-MRVPVSSYSA-N 1 2 215.322 1.567 20 0 BDADLO COCCC[N@@H+](C)[C@H](C)c1csnn1 ZINC000450285178 202118247 /nfs/dbraw/zinc/11/82/47/202118247.db2.gz DZLUEIPYADSDCG-MRVPVSSYSA-N 1 2 215.322 1.567 20 0 BDADLO CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000053896630 363556378 /nfs/dbraw/zinc/55/63/78/363556378.db2.gz VBZMAMNUOHTDDV-UHFFFAOYSA-N 1 2 229.283 1.568 20 0 BDADLO CNc1nc(N[C@@H]2C[C@H]2C)[nH+]c2ccccc21 ZINC000450307144 202126008 /nfs/dbraw/zinc/12/60/08/202126008.db2.gz FTELQGMPIIITIT-LDYMZIIASA-N 1 2 228.299 1.914 20 0 BDADLO COCCN1CC[C@@H]([NH2+][C@H](C)C(C)(F)F)C1 ZINC000389441005 356672263 /nfs/dbraw/zinc/67/22/63/356672263.db2.gz IBEFKRIDLDXASA-NXEZZACHSA-N 1 2 236.306 1.340 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n(C)n1 ZINC000582246556 356677635 /nfs/dbraw/zinc/67/76/35/356677635.db2.gz FTFHMPDWYDBSSI-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733141 325025599 /nfs/dbraw/zinc/02/55/99/325025599.db2.gz DNYKZSJEJYSHSD-IUCAKERBSA-N 1 2 241.360 1.708 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCOC2)s1 ZINC000450394376 202150915 /nfs/dbraw/zinc/15/09/15/202150915.db2.gz RFIGHOQLVPXNOL-SECBINFHSA-N 1 2 241.360 1.882 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCOC2)s1 ZINC000450394376 202150918 /nfs/dbraw/zinc/15/09/18/202150918.db2.gz RFIGHOQLVPXNOL-SECBINFHSA-N 1 2 241.360 1.882 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639779186 356725783 /nfs/dbraw/zinc/72/57/83/356725783.db2.gz YWSRDFBWVWUNGI-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639779186 356725784 /nfs/dbraw/zinc/72/57/84/356725784.db2.gz YWSRDFBWVWUNGI-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC ZINC000384714757 356728476 /nfs/dbraw/zinc/72/84/76/356728476.db2.gz HBRKSVRQOKQZHB-NOOOWODRSA-N 1 2 243.347 1.874 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc(C2CCC2)no1 ZINC000639783899 356735686 /nfs/dbraw/zinc/73/56/86/356735686.db2.gz QFJIYNKYFOQQLY-UHFFFAOYSA-N 1 2 247.302 1.692 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc(C2CCC2)no1 ZINC000639783899 356735688 /nfs/dbraw/zinc/73/56/88/356735688.db2.gz QFJIYNKYFOQQLY-UHFFFAOYSA-N 1 2 247.302 1.692 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C1CC1 ZINC000384737471 356737066 /nfs/dbraw/zinc/73/70/66/356737066.db2.gz KVJDZBDCQUQTLO-SCVMZPAESA-N 1 2 227.304 1.094 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639775671 356716504 /nfs/dbraw/zinc/71/65/04/356716504.db2.gz DSHWHNZECVQPTA-LBPRGKRZSA-N 1 2 246.318 1.358 20 0 BDADLO CCn1nncc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639775671 356716508 /nfs/dbraw/zinc/71/65/08/356716508.db2.gz DSHWHNZECVQPTA-LBPRGKRZSA-N 1 2 246.318 1.358 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)s1 ZINC000639776003 356716944 /nfs/dbraw/zinc/71/69/44/356716944.db2.gz IQHZJRFZSLVIHM-SNVBAGLBSA-N 1 2 249.343 1.907 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)s1 ZINC000639776003 356716946 /nfs/dbraw/zinc/71/69/46/356716946.db2.gz IQHZJRFZSLVIHM-SNVBAGLBSA-N 1 2 249.343 1.907 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](CO)C2)c(C)[nH+]1 ZINC000639796837 356754587 /nfs/dbraw/zinc/75/45/87/356754587.db2.gz WZCKURSHOKFVFP-PHIMTYICSA-N 1 2 249.314 1.591 20 0 BDADLO O=C1C[N@H+](CC2=CCCCC2)CCN1C1CC1 ZINC000450467548 202174845 /nfs/dbraw/zinc/17/48/45/202174845.db2.gz LTPBQEUWEQDBFZ-UHFFFAOYSA-N 1 2 234.343 1.793 20 0 BDADLO O=C1C[N@@H+](CC2=CCCCC2)CCN1C1CC1 ZINC000450467548 202174848 /nfs/dbraw/zinc/17/48/48/202174848.db2.gz LTPBQEUWEQDBFZ-UHFFFAOYSA-N 1 2 234.343 1.793 20 0 BDADLO CCc1nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)co1 ZINC000356070989 356788366 /nfs/dbraw/zinc/78/83/66/356788366.db2.gz WZZZMBLIUKRROX-SECBINFHSA-N 1 2 248.286 1.252 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1=CCCCC1 ZINC000450477295 202177691 /nfs/dbraw/zinc/17/76/91/202177691.db2.gz APFHPJIPNPHSEM-UHFFFAOYSA-N 1 2 206.293 1.737 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1=CCCCC1 ZINC000450477295 202177694 /nfs/dbraw/zinc/17/76/94/202177694.db2.gz APFHPJIPNPHSEM-UHFFFAOYSA-N 1 2 206.293 1.737 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CCO1 ZINC000639839420 356834169 /nfs/dbraw/zinc/83/41/69/356834169.db2.gz REUOZNAHOGUDQS-GHMZBOCLSA-N 1 2 229.320 1.249 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H]2CCC(C)(C)O2)CCO1 ZINC000639839420 356834171 /nfs/dbraw/zinc/83/41/71/356834171.db2.gz REUOZNAHOGUDQS-GHMZBOCLSA-N 1 2 229.320 1.249 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccncc2C)CCO1 ZINC000639836865 356823272 /nfs/dbraw/zinc/82/32/72/356823272.db2.gz NNQRCVXFRDLEPS-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccncc2C)CCO1 ZINC000639836865 356823279 /nfs/dbraw/zinc/82/32/79/356823279.db2.gz NNQRCVXFRDLEPS-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000639836976 356824617 /nfs/dbraw/zinc/82/46/17/356824617.db2.gz WUFGNENOSOCBJQ-GFCCVEGCSA-N 1 2 225.263 1.630 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000639836976 356824620 /nfs/dbraw/zinc/82/46/20/356824620.db2.gz WUFGNENOSOCBJQ-GFCCVEGCSA-N 1 2 225.263 1.630 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H](O)CCC(C)C)CCO1 ZINC000639836071 356826462 /nfs/dbraw/zinc/82/64/62/356826462.db2.gz FSPTYKCPPZUING-VXGBXAGGSA-N 1 2 231.336 1.088 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H](O)CCC(C)C)CCO1 ZINC000639836071 356826464 /nfs/dbraw/zinc/82/64/64/356826464.db2.gz FSPTYKCPPZUING-VXGBXAGGSA-N 1 2 231.336 1.088 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000450486397 202182349 /nfs/dbraw/zinc/18/23/49/202182349.db2.gz SHWBDGWPANZSLX-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450486397 202182353 /nfs/dbraw/zinc/18/23/53/202182353.db2.gz SHWBDGWPANZSLX-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000450486397 202182357 /nfs/dbraw/zinc/18/23/57/202182357.db2.gz SHWBDGWPANZSLX-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450486397 202182360 /nfs/dbraw/zinc/18/23/60/202182360.db2.gz SHWBDGWPANZSLX-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CCCC[C@@H](COC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000358815336 356877827 /nfs/dbraw/zinc/87/78/27/356877827.db2.gz OBRQGPQRCDGNRY-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO COCC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000054354178 363569352 /nfs/dbraw/zinc/56/93/52/363569352.db2.gz ACOMPIWSSVUWNY-UHFFFAOYSA-N 1 2 237.259 1.408 20 0 BDADLO CCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000623371184 356878335 /nfs/dbraw/zinc/87/83/35/356878335.db2.gz SVGHWHMWUOKQMP-UHFFFAOYSA-N 1 2 203.245 1.392 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000054354178 363569356 /nfs/dbraw/zinc/56/93/56/363569356.db2.gz ACOMPIWSSVUWNY-UHFFFAOYSA-N 1 2 237.259 1.408 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000353152503 538736356 /nfs/dbraw/zinc/73/63/56/538736356.db2.gz OHKNFNAAHUXTMH-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000353152503 538736363 /nfs/dbraw/zinc/73/63/63/538736363.db2.gz OHKNFNAAHUXTMH-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](F)C3)ccn12 ZINC000655126945 538727249 /nfs/dbraw/zinc/72/72/49/538727249.db2.gz GTNHLLKFXNOWMP-NSHDSACASA-N 1 2 247.273 1.827 20 0 BDADLO CC[N@H+](Cc1nccs1)[C@H]1CCOC1 ZINC000361237578 356921028 /nfs/dbraw/zinc/92/10/28/356921028.db2.gz KYIHXAJKWAQNPP-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CC[N@@H+](Cc1nccs1)[C@H]1CCOC1 ZINC000361237578 356921030 /nfs/dbraw/zinc/92/10/30/356921030.db2.gz KYIHXAJKWAQNPP-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000361245690 356921964 /nfs/dbraw/zinc/92/19/64/356921964.db2.gz QGLGVXSJKXRRMA-WQGACYEGSA-N 1 2 247.404 1.236 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000361245690 356921969 /nfs/dbraw/zinc/92/19/69/356921969.db2.gz QGLGVXSJKXRRMA-WQGACYEGSA-N 1 2 247.404 1.236 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1nccn1C ZINC000361303608 356925441 /nfs/dbraw/zinc/92/54/41/356925441.db2.gz DHQDVFHDOSYVSZ-LBPRGKRZSA-N 1 2 239.363 1.649 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1nccn1C ZINC000361303608 356925445 /nfs/dbraw/zinc/92/54/45/356925445.db2.gz DHQDVFHDOSYVSZ-LBPRGKRZSA-N 1 2 239.363 1.649 20 0 BDADLO CC[N@@H+](Cc1nc(COC)no1)C[C@@H](C)OC ZINC000361567407 356933737 /nfs/dbraw/zinc/93/37/37/356933737.db2.gz WMNWVYCUIUCAGX-SECBINFHSA-N 1 2 243.307 1.073 20 0 BDADLO CC[N@H+](Cc1nc(COC)no1)C[C@@H](C)OC ZINC000361567407 356933739 /nfs/dbraw/zinc/93/37/39/356933739.db2.gz WMNWVYCUIUCAGX-SECBINFHSA-N 1 2 243.307 1.073 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)C[C@H](C)OC ZINC000361578955 356933773 /nfs/dbraw/zinc/93/37/73/356933773.db2.gz SSICGNVROOFSTN-NSHDSACASA-N 1 2 240.351 1.716 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)C[C@H](C)OC ZINC000361578955 356933774 /nfs/dbraw/zinc/93/37/74/356933774.db2.gz SSICGNVROOFSTN-NSHDSACASA-N 1 2 240.351 1.716 20 0 BDADLO CCn1ncnc1C[N@H+](CC)C[C@@H](C)OC ZINC000361568475 356933922 /nfs/dbraw/zinc/93/39/22/356933922.db2.gz ZSVQVCCIGNLKTC-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncnc1C[N@@H+](CC)C[C@@H](C)OC ZINC000361568475 356933923 /nfs/dbraw/zinc/93/39/23/356933923.db2.gz ZSVQVCCIGNLKTC-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO CC1(C)C[NH+](Cc2ncccn2)CC(C)(C)O1 ZINC000361852783 356937587 /nfs/dbraw/zinc/93/75/87/356937587.db2.gz XVLFXQUUSNTRMJ-UHFFFAOYSA-N 1 2 235.331 1.866 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@@H](C)c1ccccn1 ZINC000359626787 356892068 /nfs/dbraw/zinc/89/20/68/356892068.db2.gz BPLDKAPTFFDIQZ-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@@H](C)c1ccccn1 ZINC000359626787 356892071 /nfs/dbraw/zinc/89/20/71/356892071.db2.gz BPLDKAPTFFDIQZ-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@]23CCOC3)[nH]1 ZINC000368499839 356973213 /nfs/dbraw/zinc/97/32/13/356973213.db2.gz TVXMPXHRAAZHMA-GFCCVEGCSA-N 1 2 236.319 1.122 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@]23CCOC3)[nH]1 ZINC000368499839 356973217 /nfs/dbraw/zinc/97/32/17/356973217.db2.gz TVXMPXHRAAZHMA-GFCCVEGCSA-N 1 2 236.319 1.122 20 0 BDADLO CCCc1noc(C[N@H+](C)CCOC)n1 ZINC000054361404 363570772 /nfs/dbraw/zinc/57/07/72/363570772.db2.gz SMNXQIXACAIMCF-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCCc1noc(C[N@@H+](C)CCOC)n1 ZINC000054361404 363570777 /nfs/dbraw/zinc/57/07/77/363570777.db2.gz SMNXQIXACAIMCF-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CC(C)c1nc(NC(CF)CF)cc[nH+]1 ZINC000450597722 202207539 /nfs/dbraw/zinc/20/75/39/202207539.db2.gz ZOMYJMCOHCPBRZ-UHFFFAOYSA-N 1 2 215.247 1.741 20 0 BDADLO C/C=C\CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000626468693 357005165 /nfs/dbraw/zinc/00/51/65/357005165.db2.gz SADDBKUCKINTMJ-ARJAWSKDSA-N 1 2 205.261 1.510 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1ccsc1 ZINC000355273425 538790812 /nfs/dbraw/zinc/79/08/12/538790812.db2.gz WJWAGHLSTMJNCQ-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO CC(=O)C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000639877364 357079868 /nfs/dbraw/zinc/07/98/68/357079868.db2.gz HNRJGVWNAYBAAB-UHFFFAOYSA-N 1 2 235.331 1.393 20 0 BDADLO CC(=O)C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000639877364 357079873 /nfs/dbraw/zinc/07/98/73/357079873.db2.gz HNRJGVWNAYBAAB-UHFFFAOYSA-N 1 2 235.331 1.393 20 0 BDADLO Cc1ccc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000356298266 538808713 /nfs/dbraw/zinc/80/87/13/538808713.db2.gz GPMHFYHHTVIXOH-UHFFFAOYSA-N 1 2 229.283 1.311 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ncccc2F)C1 ZINC000613654847 363573042 /nfs/dbraw/zinc/57/30/42/363573042.db2.gz GOWBQIYKFIKCIV-UHFFFAOYSA-N 1 2 237.278 1.043 20 0 BDADLO CCc1nc(CN2CCn3cc(C)[nH+]c3C2)no1 ZINC000374648316 357166495 /nfs/dbraw/zinc/16/64/95/357166495.db2.gz QLICYJJMGBHBFV-UHFFFAOYSA-N 1 2 247.302 1.153 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)C(F)(F)F ZINC000356778488 538815761 /nfs/dbraw/zinc/81/57/61/538815761.db2.gz LMXAIFOYLANIRM-ZCFIWIBFSA-N 1 2 235.209 1.235 20 0 BDADLO CC(C)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483328 357235017 /nfs/dbraw/zinc/23/50/17/357235017.db2.gz BOVPTOQVWWDDQC-VIFPVBQESA-N 1 2 224.308 1.346 20 0 BDADLO CC(C)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483328 357235021 /nfs/dbraw/zinc/23/50/21/357235021.db2.gz BOVPTOQVWWDDQC-VIFPVBQESA-N 1 2 224.308 1.346 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc[nH+]1 ZINC000639901176 357286393 /nfs/dbraw/zinc/28/63/93/357286393.db2.gz VGWCSWLMPJHNEL-JFGNBEQYSA-N 1 2 249.314 1.499 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc[nH+]1 ZINC000639901173 357286480 /nfs/dbraw/zinc/28/64/80/357286480.db2.gz VGWCSWLMPJHNEL-CKYFFXLPSA-N 1 2 249.314 1.499 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000359579684 134196047 /nfs/dbraw/zinc/19/60/47/134196047.db2.gz FEISVWOARFBXLP-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000359579684 134196048 /nfs/dbraw/zinc/19/60/48/134196048.db2.gz FEISVWOARFBXLP-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO Cn1cccc1C[NH+]1CC2(C1)CCCO2 ZINC000628426624 357254887 /nfs/dbraw/zinc/25/48/87/357254887.db2.gz BLISFDVZZQDNNX-UHFFFAOYSA-N 1 2 206.289 1.390 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccno2)s1 ZINC000394755483 357375110 /nfs/dbraw/zinc/37/51/10/357375110.db2.gz ZJFJJEQXLBMRGR-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC1 ZINC000584359100 357329802 /nfs/dbraw/zinc/32/98/02/357329802.db2.gz QNVBACLQGKIRQI-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC1 ZINC000584359100 357329805 /nfs/dbraw/zinc/32/98/05/357329805.db2.gz QNVBACLQGKIRQI-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C1CCC1 ZINC000157507421 538828508 /nfs/dbraw/zinc/82/85/08/538828508.db2.gz DGJYHTKOISWJEX-QMMMGPOBSA-N 1 2 231.303 1.964 20 0 BDADLO COC[C@@H](C)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000582734957 357376954 /nfs/dbraw/zinc/37/69/54/357376954.db2.gz ZBWJXAQSHYVMKP-SNVBAGLBSA-N 1 2 234.299 1.476 20 0 BDADLO COC[C@@H](C)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000582734957 357376957 /nfs/dbraw/zinc/37/69/57/357376957.db2.gz ZBWJXAQSHYVMKP-SNVBAGLBSA-N 1 2 234.299 1.476 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000131503374 325157343 /nfs/dbraw/zinc/15/73/43/325157343.db2.gz MRHHEJCMACSZQJ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000158080106 538849610 /nfs/dbraw/zinc/84/96/10/538849610.db2.gz GMLGRGWLTTVKGY-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO CC[N@H+](CCc1ccncc1C)CC(=O)OC ZINC000397542232 357573371 /nfs/dbraw/zinc/57/33/71/357573371.db2.gz OWUQEYUCGXEKHM-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO CC[N@@H+](CCc1ccncc1C)CC(=O)OC ZINC000397542232 357573374 /nfs/dbraw/zinc/57/33/74/357573374.db2.gz OWUQEYUCGXEKHM-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc3c(c2)OCO3)n1 ZINC000583191340 357515772 /nfs/dbraw/zinc/51/57/72/357515772.db2.gz DGEOQYJMYIXATO-UHFFFAOYSA-N 1 2 247.254 1.109 20 0 BDADLO C[C@H]1CC[C@@H](C[NH+]2CCN(CC3CC3)CC2)O1 ZINC000188540935 357559331 /nfs/dbraw/zinc/55/93/31/357559331.db2.gz YXOQBNHXBXARLY-JSGCOSHPSA-N 1 2 238.375 1.582 20 0 BDADLO COC[C@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000583215081 357565020 /nfs/dbraw/zinc/56/50/20/357565020.db2.gz YMVVNEPZMPYMCZ-CYBMUJFWSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1cc(N[C@@H](CO)Cc2ccccc2)nc[nH+]1 ZINC000063218889 357594750 /nfs/dbraw/zinc/59/47/50/357594750.db2.gz LNBCNDDHFXMXEL-CYBMUJFWSA-N 1 2 243.310 1.801 20 0 BDADLO OCC1CCN(c2cc[nH+]cc2F)CC1 ZINC000167175820 538878308 /nfs/dbraw/zinc/87/83/08/538878308.db2.gz NAVVTBJRWCWFHH-UHFFFAOYSA-N 1 2 210.252 1.429 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189106713 357615461 /nfs/dbraw/zinc/61/54/61/357615461.db2.gz ZDBGCGQOBWYQOI-VIFPVBQESA-N 1 2 237.303 1.002 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189106713 357615466 /nfs/dbraw/zinc/61/54/66/357615466.db2.gz ZDBGCGQOBWYQOI-VIFPVBQESA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000189618848 357649437 /nfs/dbraw/zinc/64/94/37/357649437.db2.gz CRVFUZWTLZSQTC-PELKAZGASA-N 1 2 235.331 1.466 20 0 BDADLO CC(C)NC(=O)CC[N@H+](C)Cc1cscn1 ZINC000063591776 357675873 /nfs/dbraw/zinc/67/58/73/357675873.db2.gz HFHWSXFMQIYPKI-UHFFFAOYSA-N 1 2 241.360 1.490 20 0 BDADLO CC(C)NC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000063591776 357675878 /nfs/dbraw/zinc/67/58/78/357675878.db2.gz HFHWSXFMQIYPKI-UHFFFAOYSA-N 1 2 241.360 1.490 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1nnnn1C ZINC000189922850 357676685 /nfs/dbraw/zinc/67/66/85/357676685.db2.gz XGAGZAGTJQSZHJ-IUCAKERBSA-N 1 2 232.291 1.017 20 0 BDADLO CCC(=O)CCC[NH+]1CCN(CC2CC2)CC1 ZINC000232869606 357686778 /nfs/dbraw/zinc/68/67/78/357686778.db2.gz QXQAALUILYZPLQ-UHFFFAOYSA-N 1 2 238.375 1.773 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000190194151 357690537 /nfs/dbraw/zinc/69/05/37/357690537.db2.gz JAWXXZGQVSUCQN-NSHDSACASA-N 1 2 235.331 1.958 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000190194151 357690539 /nfs/dbraw/zinc/69/05/39/357690539.db2.gz JAWXXZGQVSUCQN-NSHDSACASA-N 1 2 235.331 1.958 20 0 BDADLO CCOC[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000583242974 357690646 /nfs/dbraw/zinc/69/06/46/357690646.db2.gz YAQCDNYWMXCQRQ-LBPRGKRZSA-N 1 2 247.298 1.343 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cocn2)c1C ZINC000397791001 357696570 /nfs/dbraw/zinc/69/65/70/357696570.db2.gz HZSPESQZZKOIAI-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000233698213 357732557 /nfs/dbraw/zinc/73/25/57/357732557.db2.gz RIULOIPGUNNMSY-JMJZKYOTSA-N 1 2 227.304 1.095 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000233698009 357732719 /nfs/dbraw/zinc/73/27/19/357732719.db2.gz WJYFWASETLLWNK-SCVCMEIPSA-N 1 2 229.320 1.485 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191259504 357760134 /nfs/dbraw/zinc/76/01/34/357760134.db2.gz SGSDZWRHWFYBKE-SNVBAGLBSA-N 1 2 240.351 1.500 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191259504 357760136 /nfs/dbraw/zinc/76/01/36/357760136.db2.gz SGSDZWRHWFYBKE-SNVBAGLBSA-N 1 2 240.351 1.500 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC000545934059 325248288 /nfs/dbraw/zinc/24/82/88/325248288.db2.gz KTGKDXSELQPKAB-XXFAHNHDSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC000545934059 325248291 /nfs/dbraw/zinc/24/82/91/325248291.db2.gz KTGKDXSELQPKAB-XXFAHNHDSA-N 1 2 244.360 1.436 20 0 BDADLO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191960967 357807163 /nfs/dbraw/zinc/80/71/63/357807163.db2.gz GFMVGXKLHXZZOR-KKOKHZNYSA-N 1 2 245.363 1.713 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCOCC(C)C ZINC000234544436 357811620 /nfs/dbraw/zinc/81/16/20/357811620.db2.gz FTORXXGHFMSELM-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCOCC(C)C ZINC000234544436 357811622 /nfs/dbraw/zinc/81/16/22/357811622.db2.gz FTORXXGHFMSELM-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000397940787 357811681 /nfs/dbraw/zinc/81/16/81/357811681.db2.gz URAUIGDPLRZOCH-UHFFFAOYSA-N 1 2 246.266 1.751 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000192887775 357857927 /nfs/dbraw/zinc/85/79/27/357857927.db2.gz FUXRUSTVHQBBEY-GXSJLCMTSA-N 1 2 249.314 1.511 20 0 BDADLO C[C@H](CO)CSCCCn1cc[nH+]c1 ZINC000085139588 134224186 /nfs/dbraw/zinc/22/41/86/134224186.db2.gz IDMYMGTWLLYVME-SNVBAGLBSA-N 1 2 214.334 1.635 20 0 BDADLO COc1ccc[nH+]c1NCCC1(O)CCC1 ZINC000398122179 357844865 /nfs/dbraw/zinc/84/48/65/357844865.db2.gz IULGIRHMQKXHAX-UHFFFAOYSA-N 1 2 222.288 1.807 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCO[C@H]2CC)no1 ZINC000564300357 325269186 /nfs/dbraw/zinc/26/91/86/325269186.db2.gz FCSPECNNPFVZOB-BDAKNGLRSA-N 1 2 225.292 1.289 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000193457466 357928149 /nfs/dbraw/zinc/92/81/49/357928149.db2.gz QIPJQKWSJQBPQZ-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ncccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000193457466 357928153 /nfs/dbraw/zinc/92/81/53/357928153.db2.gz QIPJQKWSJQBPQZ-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610450120 357943526 /nfs/dbraw/zinc/94/35/26/357943526.db2.gz DMUXPWFCCMDQFA-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610450120 357943530 /nfs/dbraw/zinc/94/35/30/357943530.db2.gz DMUXPWFCCMDQFA-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000583822516 357958346 /nfs/dbraw/zinc/95/83/46/357958346.db2.gz NZMXMOMXTJMOPK-WOPDTQHZSA-N 1 2 236.359 1.633 20 0 BDADLO CCn1nnc(C)c1CNc1[nH+]cccc1OC ZINC000584450527 357969316 /nfs/dbraw/zinc/96/93/16/357969316.db2.gz QIEILXIHEUILLY-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H]1C[C@H](C)O ZINC000584500683 358004978 /nfs/dbraw/zinc/00/49/78/358004978.db2.gz RTYGCDIZYOEJRQ-JQWIXIFHSA-N 1 2 235.331 1.833 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2c[nH]nc2C)nn1 ZINC000639971476 358030231 /nfs/dbraw/zinc/03/02/31/358030231.db2.gz QLFKRFLZWJZBDK-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2c[nH]nc2C)nn1 ZINC000639971476 358030233 /nfs/dbraw/zinc/03/02/33/358030233.db2.gz QLFKRFLZWJZBDK-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000639972393 358031105 /nfs/dbraw/zinc/03/11/05/358031105.db2.gz QJSXAEHDRNUFPR-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC000639972393 358031107 /nfs/dbraw/zinc/03/11/07/358031107.db2.gz QJSXAEHDRNUFPR-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cncs1 ZINC000639972001 358031929 /nfs/dbraw/zinc/03/19/29/358031929.db2.gz MCCONJCCWKHMQF-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cncs1 ZINC000639972001 358031931 /nfs/dbraw/zinc/03/19/31/358031931.db2.gz MCCONJCCWKHMQF-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000584532618 358042634 /nfs/dbraw/zinc/04/26/34/358042634.db2.gz ZHZPIKGQHIGSSE-IJLUTSLNSA-N 1 2 247.342 1.845 20 0 BDADLO CC[C@@H](C)[N@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000037474727 358071027 /nfs/dbraw/zinc/07/10/27/358071027.db2.gz WUEMYYZKJMDNCR-SNVBAGLBSA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@@H](C)[N@@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000037474727 358071029 /nfs/dbraw/zinc/07/10/29/358071029.db2.gz WUEMYYZKJMDNCR-SNVBAGLBSA-N 1 2 225.292 1.068 20 0 BDADLO Cc1cc([NH2+]CC2CC2)ccc1-n1cnnn1 ZINC000037104087 358065445 /nfs/dbraw/zinc/06/54/45/358065445.db2.gz BZMADOPCHRKMII-UHFFFAOYSA-N 1 2 229.287 1.793 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC12CC2 ZINC000583868398 358067228 /nfs/dbraw/zinc/06/72/28/358067228.db2.gz SKPMIKBXBXAPRH-SNVBAGLBSA-N 1 2 217.272 1.486 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H]2CCCCO2)CCCC1 ZINC000133891816 325327246 /nfs/dbraw/zinc/32/72/46/325327246.db2.gz YBUBFSBPHSIXDC-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cn1 ZINC000133963005 325334181 /nfs/dbraw/zinc/33/41/81/325334181.db2.gz NCWIQMCTQWLTIQ-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000170769004 134253351 /nfs/dbraw/zinc/25/33/51/134253351.db2.gz NVLWPYPKIMGPMF-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000170769004 134253352 /nfs/dbraw/zinc/25/33/52/134253352.db2.gz NVLWPYPKIMGPMF-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000170768490 134253577 /nfs/dbraw/zinc/25/35/77/134253577.db2.gz SKPHGBVQCPGZOO-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCCO[C@H](C)C2)n1 ZINC000170768490 134253578 /nfs/dbraw/zinc/25/35/78/134253578.db2.gz SKPHGBVQCPGZOO-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO c1snnc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000628463221 358118209 /nfs/dbraw/zinc/11/82/09/358118209.db2.gz WOBYWANWPPPNPE-SCZZXKLOSA-N 1 2 225.317 1.195 20 0 BDADLO CCCc1noc(C[NH2+]C(C)(C)COC)n1 ZINC000076495855 325346981 /nfs/dbraw/zinc/34/69/81/325346981.db2.gz LGQONORBQCRETA-UHFFFAOYSA-N 1 2 227.308 1.537 20 0 BDADLO COC(=O)CCCCNc1nc(C)[nH+]cc1C ZINC000584665673 358128501 /nfs/dbraw/zinc/12/85/01/358128501.db2.gz VSOPQHRYXSWHTF-UHFFFAOYSA-N 1 2 237.303 1.271 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC(C)(F)CC2)[nH]1 ZINC000640071486 358161999 /nfs/dbraw/zinc/16/19/99/358161999.db2.gz OSYNGZZHKOEEHP-MRVPVSSYSA-N 1 2 226.299 1.998 20 0 BDADLO CCn1cc(C[NH2+]Cc2nccn2CC)cn1 ZINC000385432888 358167335 /nfs/dbraw/zinc/16/73/35/358167335.db2.gz FJBYHJHDFQOPPO-UHFFFAOYSA-N 1 2 233.319 1.409 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCCOCC2)on1 ZINC000584728297 358167417 /nfs/dbraw/zinc/16/74/17/358167417.db2.gz HUIKRJZGMIYVLX-UHFFFAOYSA-N 1 2 224.260 1.100 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCCOCC2)on1 ZINC000584728297 358167418 /nfs/dbraw/zinc/16/74/18/358167418.db2.gz HUIKRJZGMIYVLX-UHFFFAOYSA-N 1 2 224.260 1.100 20 0 BDADLO CC1(NC(=O)Nc2ccn3cc[nH+]c3c2)COC1 ZINC000640116359 358190306 /nfs/dbraw/zinc/19/03/06/358190306.db2.gz LDHOSKVPUPGEDA-UHFFFAOYSA-N 1 2 246.270 1.245 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000450656575 202227195 /nfs/dbraw/zinc/22/71/95/202227195.db2.gz VUDDQBKXJAJHFH-GHMZBOCLSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000450656575 202227199 /nfs/dbraw/zinc/22/71/99/202227199.db2.gz VUDDQBKXJAJHFH-GHMZBOCLSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000450656575 202227201 /nfs/dbraw/zinc/22/72/01/202227201.db2.gz VUDDQBKXJAJHFH-GHMZBOCLSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000450656575 202227204 /nfs/dbraw/zinc/22/72/04/202227204.db2.gz VUDDQBKXJAJHFH-GHMZBOCLSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000450656578 202228909 /nfs/dbraw/zinc/22/89/09/202228909.db2.gz VUDDQBKXJAJHFH-WDEREUQCSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000450656578 202228912 /nfs/dbraw/zinc/22/89/12/202228912.db2.gz VUDDQBKXJAJHFH-WDEREUQCSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000450656578 202228913 /nfs/dbraw/zinc/22/89/13/202228913.db2.gz VUDDQBKXJAJHFH-WDEREUQCSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000450656578 202228916 /nfs/dbraw/zinc/22/89/16/202228916.db2.gz VUDDQBKXJAJHFH-WDEREUQCSA-N 1 2 238.335 1.493 20 0 BDADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCCF ZINC000610827936 358213290 /nfs/dbraw/zinc/21/32/90/358213290.db2.gz AWKPYYKZETWTPO-SNVBAGLBSA-N 1 2 235.299 1.244 20 0 BDADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCCF ZINC000610827936 358213294 /nfs/dbraw/zinc/21/32/94/358213294.db2.gz AWKPYYKZETWTPO-SNVBAGLBSA-N 1 2 235.299 1.244 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000450644518 202222547 /nfs/dbraw/zinc/22/25/47/202222547.db2.gz FRLCOUPSKYSPEM-DTWKUNHWSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@H](O)C2)s1 ZINC000450644518 202222550 /nfs/dbraw/zinc/22/25/50/202222550.db2.gz FRLCOUPSKYSPEM-DTWKUNHWSA-N 1 2 241.360 1.474 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)C(C)(C)CO)cc2[nH+]1 ZINC000578202956 366386894 /nfs/dbraw/zinc/38/68/94/366386894.db2.gz DMNFKEBNJRXLEV-UHFFFAOYSA-N 1 2 247.298 1.828 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H](C)CO ZINC000450737406 202251240 /nfs/dbraw/zinc/25/12/40/202251240.db2.gz JBYRGBDWLYQUMV-TUAOUCFPSA-N 1 2 245.363 1.571 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)NCC1CC1 ZINC000027428973 358439694 /nfs/dbraw/zinc/43/96/94/358439694.db2.gz VOIHMMUBZKDGPA-LLVKDONJSA-N 1 2 247.342 1.391 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)NCC1CC1 ZINC000027428973 358439699 /nfs/dbraw/zinc/43/96/99/358439699.db2.gz VOIHMMUBZKDGPA-LLVKDONJSA-N 1 2 247.342 1.391 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000048335615 358628433 /nfs/dbraw/zinc/62/84/33/358628433.db2.gz INGZKOFGLYZTLO-VIFPVBQESA-N 1 2 245.319 1.069 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000048335615 358628435 /nfs/dbraw/zinc/62/84/35/358628435.db2.gz INGZKOFGLYZTLO-VIFPVBQESA-N 1 2 245.319 1.069 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000130689282 358639570 /nfs/dbraw/zinc/63/95/70/358639570.db2.gz GEYPZYPOWZXCFE-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000130689282 358639575 /nfs/dbraw/zinc/63/95/75/358639575.db2.gz GEYPZYPOWZXCFE-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCc1ccc(CNC(=O)Cn2cc[nH+]c2)s1 ZINC000048561820 358640379 /nfs/dbraw/zinc/64/03/79/358640379.db2.gz VHXRNSMYYKTRMB-UHFFFAOYSA-N 1 2 249.339 1.823 20 0 BDADLO O=C(CCC1CCC1)NCC[NH+]1CCOCC1 ZINC000175704928 134286918 /nfs/dbraw/zinc/28/69/18/134286918.db2.gz FFAWZVDYAMJJQS-UHFFFAOYSA-N 1 2 240.347 1.015 20 0 BDADLO CCOC1CC([NH2+][C@@H](CC(C)C)C(=O)OC)C1 ZINC000131482659 358678618 /nfs/dbraw/zinc/67/86/18/358678618.db2.gz JNNZCVRJAIMTKU-MCIGGMRASA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](C)[C@@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000049856710 358704740 /nfs/dbraw/zinc/70/47/40/358704740.db2.gz PJAQEPSTUYWDEX-GXSJLCMTSA-N 1 2 239.319 1.097 20 0 BDADLO COC(=O)CCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000050065446 358711300 /nfs/dbraw/zinc/71/13/00/358711300.db2.gz IVNOVWZMAVHNHS-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO COC(=O)CCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000050065446 358711306 /nfs/dbraw/zinc/71/13/06/358711306.db2.gz IVNOVWZMAVHNHS-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CCCc1nc(C[N@H+](CCO)C(C)C)no1 ZINC000050103880 358715200 /nfs/dbraw/zinc/71/52/00/358715200.db2.gz IZVOYXIQQPQWGP-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](CCO)C(C)C)no1 ZINC000050103880 358715204 /nfs/dbraw/zinc/71/52/04/358715204.db2.gz IZVOYXIQQPQWGP-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2oc(=O)[nH]c2c1 ZINC000051923155 358768322 /nfs/dbraw/zinc/76/83/22/358768322.db2.gz WQBWXBQGDYEODZ-UHFFFAOYSA-N 1 2 244.254 1.467 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000052660124 358789434 /nfs/dbraw/zinc/78/94/34/358789434.db2.gz WEONKKZBAQEKPZ-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000052660124 358789441 /nfs/dbraw/zinc/78/94/41/358789441.db2.gz WEONKKZBAQEKPZ-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000578238408 366467033 /nfs/dbraw/zinc/46/70/33/366467033.db2.gz AMRYXJGICNTBQQ-NXEZZACHSA-N 1 2 239.294 1.739 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccoc1C ZINC000055057880 358880487 /nfs/dbraw/zinc/88/04/87/358880487.db2.gz IQQNYNRZTQMCNM-NSHDSACASA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccoc1C ZINC000055057880 358880491 /nfs/dbraw/zinc/88/04/91/358880491.db2.gz IQQNYNRZTQMCNM-NSHDSACASA-N 1 2 225.288 1.971 20 0 BDADLO C[C@H](O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000136518372 358880674 /nfs/dbraw/zinc/88/06/74/358880674.db2.gz KAOSJCMVSKYRGT-VIFPVBQESA-N 1 2 245.282 1.406 20 0 BDADLO CC[C@@H](NC(=O)c1ccc(C)n1C)c1[nH]cc[nH+]1 ZINC000140641178 358923815 /nfs/dbraw/zinc/92/38/15/358923815.db2.gz FJODTPOIYAKQEI-SNVBAGLBSA-N 1 2 246.314 1.938 20 0 BDADLO CC(C)C(C[N@H+]1CC(=O)N(C)C1)C(C)C ZINC000578345712 366530748 /nfs/dbraw/zinc/53/07/48/366530748.db2.gz WJGFOTACPPOOCY-UHFFFAOYSA-N 1 2 212.337 1.646 20 0 BDADLO CC(C)C(C[N@@H+]1CC(=O)N(C)C1)C(C)C ZINC000578345712 366530754 /nfs/dbraw/zinc/53/07/54/366530754.db2.gz WJGFOTACPPOOCY-UHFFFAOYSA-N 1 2 212.337 1.646 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000626559806 358953828 /nfs/dbraw/zinc/95/38/28/358953828.db2.gz RIMRYMJVZCVRCY-XYPYZODXSA-N 1 2 249.314 1.997 20 0 BDADLO C[C@H](CC1CC1)Nc1[nH+]cnc2c1cnn2C ZINC000070102699 359042000 /nfs/dbraw/zinc/04/20/00/359042000.db2.gz DLMNGRDZQVDRON-MRVPVSSYSA-N 1 2 231.303 1.964 20 0 BDADLO CCOc1nnc(C[N@H+](C)CCCOC)s1 ZINC000066378248 359016085 /nfs/dbraw/zinc/01/60/85/359016085.db2.gz UYKRQLUFHHAFHG-UHFFFAOYSA-N 1 2 245.348 1.405 20 0 BDADLO CCOc1nnc(C[N@@H+](C)CCCOC)s1 ZINC000066378248 359016089 /nfs/dbraw/zinc/01/60/89/359016089.db2.gz UYKRQLUFHHAFHG-UHFFFAOYSA-N 1 2 245.348 1.405 20 0 BDADLO O=C(Cc1cccc(F)c1)NCc1[nH]cc[nH+]1 ZINC000070989938 359068672 /nfs/dbraw/zinc/06/86/72/359068672.db2.gz INLNNHCLLQEPDX-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO CO[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000070990984 359070177 /nfs/dbraw/zinc/07/01/77/359070177.db2.gz XAYJCFKVLXOSGJ-GFCCVEGCSA-N 1 2 245.282 1.414 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2nccn2C)cn1 ZINC000071273460 359075095 /nfs/dbraw/zinc/07/50/95/359075095.db2.gz JHQWVBAAYRRHSR-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO Cc1nc(NCc2cccc(CO)c2)cc[nH+]1 ZINC000071354760 359078246 /nfs/dbraw/zinc/07/82/46/359078246.db2.gz YXYLJNCYYVDZPQ-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCCSC ZINC000611209000 359113602 /nfs/dbraw/zinc/11/36/02/359113602.db2.gz YLCAJJDWJVVEGT-JTQLQIEISA-N 1 2 249.376 1.249 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCCSC ZINC000611209000 359113604 /nfs/dbraw/zinc/11/36/04/359113604.db2.gz YLCAJJDWJVVEGT-JTQLQIEISA-N 1 2 249.376 1.249 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC=CCC1 ZINC000070650711 359060497 /nfs/dbraw/zinc/06/04/97/359060497.db2.gz UJEWDTOZNNZKLC-SNVBAGLBSA-N 1 2 219.288 1.724 20 0 BDADLO O=C(Nc1ncccn1)c1ccc2[nH+]ccn2c1 ZINC000074748706 359127165 /nfs/dbraw/zinc/12/71/65/359127165.db2.gz DUJDMBYJYLTDKO-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccs1 ZINC000074828020 359130390 /nfs/dbraw/zinc/13/03/90/359130390.db2.gz PXCCUFICAOTZPT-UHFFFAOYSA-N 1 2 207.258 1.401 20 0 BDADLO Cc1ccc(CNc2nc(N(C)C)nc(C)[nH+]2)o1 ZINC000631510774 359140819 /nfs/dbraw/zinc/14/08/19/359140819.db2.gz PSKMBJYYDJUCFX-UHFFFAOYSA-N 1 2 247.302 1.181 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N(C)C)n2)o1 ZINC000631510774 359140822 /nfs/dbraw/zinc/14/08/22/359140822.db2.gz PSKMBJYYDJUCFX-UHFFFAOYSA-N 1 2 247.302 1.181 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@H+](C)[C@@H]1C=CCCC1 ZINC000611210151 359142415 /nfs/dbraw/zinc/14/24/15/359142415.db2.gz RWGVZDRNZHADHI-NEPJUHHUSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000611210151 359142418 /nfs/dbraw/zinc/14/24/18/359142418.db2.gz RWGVZDRNZHADHI-NEPJUHHUSA-N 1 2 241.331 1.605 20 0 BDADLO COC(=O)C1CCN(c2cc[nH+]cc2F)CC1 ZINC000611399132 359356115 /nfs/dbraw/zinc/35/61/15/359356115.db2.gz PUSXFMNXGVVLSA-UHFFFAOYSA-N 1 2 238.262 1.610 20 0 BDADLO OCC[C@H]([NH2+]CC(F)F)c1ccccc1 ZINC000308907848 491140038 /nfs/dbraw/zinc/14/00/38/491140038.db2.gz FCILWIHJLZYRIL-JTQLQIEISA-N 1 2 215.243 1.965 20 0 BDADLO C[C@H](Cc1cccs1)[NH2+]CC(F)(F)CO ZINC000308926833 491140373 /nfs/dbraw/zinc/14/03/73/491140373.db2.gz DLEURGWSLCPZGS-MRVPVSSYSA-N 1 2 235.299 1.896 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000308968739 491141187 /nfs/dbraw/zinc/14/11/87/491141187.db2.gz XRGOIQDZXDBLMS-NQMVMOMDSA-N 1 2 211.309 1.792 20 0 BDADLO CCCc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)no1 ZINC000580464128 359568941 /nfs/dbraw/zinc/56/89/41/359568941.db2.gz KBMFUHALJQSHGM-MRVPVSSYSA-N 1 2 248.286 1.841 20 0 BDADLO CCc1cc(NC[C@H](CC)OC)nc[nH+]1 ZINC000308998270 491142120 /nfs/dbraw/zinc/14/21/20/491142120.db2.gz QNBHVYMTMOFTIV-JTQLQIEISA-N 1 2 209.293 1.876 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628498221 359707919 /nfs/dbraw/zinc/70/79/19/359707919.db2.gz IOQVOMFHUDQVGL-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628498221 359707921 /nfs/dbraw/zinc/70/79/21/359707921.db2.gz IOQVOMFHUDQVGL-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CCC1(CNc2cc(C)[nH+]cn2)COC1 ZINC000450850377 202287258 /nfs/dbraw/zinc/28/72/58/202287258.db2.gz ZCQINBKNPDVOEL-UHFFFAOYSA-N 1 2 207.277 1.045 20 0 BDADLO CCC1(CNc2[nH+]cnc3c2cnn3C)COC1 ZINC000450849013 202288308 /nfs/dbraw/zinc/28/83/08/202288308.db2.gz VNUPKKOIEPXOEA-UHFFFAOYSA-N 1 2 247.302 1.202 20 0 BDADLO COCC[N@H+](Cc1cc[nH]n1)[C@H]1CCO[C@H]1C ZINC000450886115 202297671 /nfs/dbraw/zinc/29/76/71/202297671.db2.gz VTTOCLLHYLXSJS-JQWIXIFHSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cc[nH]n1)[C@H]1CCO[C@H]1C ZINC000450886115 202297674 /nfs/dbraw/zinc/29/76/74/202297674.db2.gz VTTOCLLHYLXSJS-JQWIXIFHSA-N 1 2 239.319 1.036 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@@H+](CCCCF)C2)O1 ZINC000450913747 202307994 /nfs/dbraw/zinc/30/79/94/202307994.db2.gz ZFQMLCCMINIQQU-VIFPVBQESA-N 1 2 243.282 1.704 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@H+](CCCCF)C2)O1 ZINC000450913747 202307998 /nfs/dbraw/zinc/30/79/98/202307998.db2.gz ZFQMLCCMINIQQU-VIFPVBQESA-N 1 2 243.282 1.704 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCCCF)C2)o1 ZINC000450913747 202308002 /nfs/dbraw/zinc/30/80/02/202308002.db2.gz ZFQMLCCMINIQQU-VIFPVBQESA-N 1 2 243.282 1.704 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCCCF)C2)o1 ZINC000450913747 202308006 /nfs/dbraw/zinc/30/80/06/202308006.db2.gz ZFQMLCCMINIQQU-VIFPVBQESA-N 1 2 243.282 1.704 20 0 BDADLO Cc1cc(NCC(C)(C)C2(O)CCCC2)nc[nH+]1 ZINC000450912896 202307679 /nfs/dbraw/zinc/30/76/79/202307679.db2.gz IGPDBILQNWNUTG-UHFFFAOYSA-N 1 2 249.358 1.950 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612307037 359778074 /nfs/dbraw/zinc/77/80/74/359778074.db2.gz DPGXALIYIZGDCV-DDHJBXDOSA-N 1 2 247.342 1.923 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612308754 359780565 /nfs/dbraw/zinc/78/05/65/359780565.db2.gz JKWFQKJGGMBJAJ-OUAUKWLOSA-N 1 2 247.342 1.914 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612308754 359780568 /nfs/dbraw/zinc/78/05/68/359780568.db2.gz JKWFQKJGGMBJAJ-OUAUKWLOSA-N 1 2 247.342 1.914 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1sccc1Cl ZINC000578440695 366568148 /nfs/dbraw/zinc/56/81/48/366568148.db2.gz GZYYRUBHCUOHEQ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1sccc1Cl ZINC000578440695 366568152 /nfs/dbraw/zinc/56/81/52/366568152.db2.gz GZYYRUBHCUOHEQ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1[nH]cc[nH+]1 ZINC000578452319 366573456 /nfs/dbraw/zinc/57/34/56/366573456.db2.gz HFPUTSMKROOTEN-RGOKHQFPSA-N 1 2 235.287 1.012 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CC12CC2 ZINC000578500827 366581331 /nfs/dbraw/zinc/58/13/31/366581331.db2.gz HOCASFPMGWBZPO-LLVKDONJSA-N 1 2 248.330 1.515 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000451075114 202350171 /nfs/dbraw/zinc/35/01/71/202350171.db2.gz ZXTNYRNYEWERNJ-HTQZYQBOSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1csc(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000451075114 202350174 /nfs/dbraw/zinc/35/01/74/202350174.db2.gz ZXTNYRNYEWERNJ-HTQZYQBOSA-N 1 2 240.328 1.770 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000451065253 202344125 /nfs/dbraw/zinc/34/41/25/202344125.db2.gz URJWYMLUKJWCOU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000451065253 202344129 /nfs/dbraw/zinc/34/41/29/202344129.db2.gz URJWYMLUKJWCOU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000451065253 202344131 /nfs/dbraw/zinc/34/41/31/202344131.db2.gz URJWYMLUKJWCOU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000451065253 202344134 /nfs/dbraw/zinc/34/41/34/202344134.db2.gz URJWYMLUKJWCOU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000451065253 202344137 /nfs/dbraw/zinc/34/41/37/202344137.db2.gz URJWYMLUKJWCOU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000451065253 202344139 /nfs/dbraw/zinc/34/41/39/202344139.db2.gz URJWYMLUKJWCOU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451110077 202355055 /nfs/dbraw/zinc/35/50/55/202355055.db2.gz BXGNQBAGMBLXBN-PWSUYJOCSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451110077 202355057 /nfs/dbraw/zinc/35/50/57/202355057.db2.gz BXGNQBAGMBLXBN-PWSUYJOCSA-N 1 2 229.295 1.762 20 0 BDADLO COc1cc(C[N@H+](C(C)C)C2COC2)ccn1 ZINC000451121962 202356145 /nfs/dbraw/zinc/35/61/45/202356145.db2.gz VVBKJRJOXVBLPL-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@@H+](C(C)C)C2COC2)ccn1 ZINC000451121962 202356147 /nfs/dbraw/zinc/35/61/47/202356147.db2.gz VVBKJRJOXVBLPL-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)nn1 ZINC000451185228 202372833 /nfs/dbraw/zinc/37/28/33/202372833.db2.gz AMIIHXLORFNJIH-MRVPVSSYSA-N 1 2 211.240 1.029 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)nn1 ZINC000451185228 202372836 /nfs/dbraw/zinc/37/28/36/202372836.db2.gz AMIIHXLORFNJIH-MRVPVSSYSA-N 1 2 211.240 1.029 20 0 BDADLO CC[N@H+](Cc1ccc(C)nc1C)C1COC1 ZINC000451289960 202395984 /nfs/dbraw/zinc/39/59/84/202395984.db2.gz WJNRIEBUXUPUAE-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CC[N@@H+](Cc1ccc(C)nc1C)C1COC1 ZINC000451289960 202395985 /nfs/dbraw/zinc/39/59/85/202395985.db2.gz WJNRIEBUXUPUAE-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CC[N@H+](Cc1cncc(OC)c1)C1COC1 ZINC000451287914 202397132 /nfs/dbraw/zinc/39/71/32/202397132.db2.gz GWKVLLGHSFXEAE-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@@H+](Cc1cncc(OC)c1)C1COC1 ZINC000451287914 202397136 /nfs/dbraw/zinc/39/71/36/202397136.db2.gz GWKVLLGHSFXEAE-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC12CC2 ZINC000578620162 366609970 /nfs/dbraw/zinc/60/99/70/366609970.db2.gz TYVIJXWIOWOSMP-QMMMGPOBSA-N 1 2 205.261 1.011 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3nncc3C2)c(C)c1 ZINC000578761720 366642225 /nfs/dbraw/zinc/64/22/25/366642225.db2.gz NTUCWIFXBYOIDF-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3nncc3C2)c(C)c1 ZINC000578761720 366642231 /nfs/dbraw/zinc/64/22/31/366642231.db2.gz NTUCWIFXBYOIDF-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@H](C)c1nccc(N)n1 ZINC000578879643 366665998 /nfs/dbraw/zinc/66/59/98/366665998.db2.gz YKINMRRGXJPRQG-SECBINFHSA-N 1 2 246.314 1.984 20 0 BDADLO Cc1occc1C[N@H+](C)[C@H](C)c1nccc(N)n1 ZINC000578879643 366666004 /nfs/dbraw/zinc/66/60/04/366666004.db2.gz YKINMRRGXJPRQG-SECBINFHSA-N 1 2 246.314 1.984 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1cccnc1 ZINC000088589285 359968422 /nfs/dbraw/zinc/96/84/22/359968422.db2.gz ZCBJRAIAFZREBQ-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO Cc1ccccc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000088753029 359975424 /nfs/dbraw/zinc/97/54/24/359975424.db2.gz QWJVNSCFQKDPBK-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1ccccc1CC(=O)NCc1c[nH]c[nH+]1 ZINC000088753029 359975427 /nfs/dbraw/zinc/97/54/27/359975427.db2.gz QWJVNSCFQKDPBK-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2c(c1)CCC2 ZINC000088759095 359975487 /nfs/dbraw/zinc/97/54/87/359975487.db2.gz TZUZJVFRHIDSTN-UHFFFAOYSA-N 1 2 241.294 1.828 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2c(c1)CCC2 ZINC000088759095 359975489 /nfs/dbraw/zinc/97/54/89/359975489.db2.gz TZUZJVFRHIDSTN-UHFFFAOYSA-N 1 2 241.294 1.828 20 0 BDADLO Cc1ccccc1CCC(=O)NCc1c[nH+]c[nH]1 ZINC000088753013 359975651 /nfs/dbraw/zinc/97/56/51/359975651.db2.gz JMSVESQGHDIYIB-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1ccccc1CCC(=O)NCc1c[nH]c[nH+]1 ZINC000088753013 359975654 /nfs/dbraw/zinc/97/56/54/359975654.db2.gz JMSVESQGHDIYIB-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC2(CC2)C1 ZINC000612695093 360011389 /nfs/dbraw/zinc/01/13/89/360011389.db2.gz IBJOLMVYNQLEFX-SNVBAGLBSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC2(CC2)C1 ZINC000612695093 360011392 /nfs/dbraw/zinc/01/13/92/360011392.db2.gz IBJOLMVYNQLEFX-SNVBAGLBSA-N 1 2 245.326 1.573 20 0 BDADLO CO[C@H](C(=O)Nc1cc(C)[nH+]cc1C)C1CCC1 ZINC000612748241 360041180 /nfs/dbraw/zinc/04/11/80/360041180.db2.gz YIAQCGJDWXOSJC-ZDUSSCGKSA-N 1 2 248.326 1.874 20 0 BDADLO CC[C@@H](C)[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000090166161 360060325 /nfs/dbraw/zinc/06/03/25/360060325.db2.gz HKMRIJOEJOYBPX-KOLCDFICSA-N 1 2 239.319 1.097 20 0 BDADLO CCCCc1cc(NCC[C@@H](C)O)nc[nH+]1 ZINC000631117899 360087724 /nfs/dbraw/zinc/08/77/24/360087724.db2.gz BWAOYQDRDVPLPI-SNVBAGLBSA-N 1 2 223.320 1.424 20 0 BDADLO CC(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000612913179 360183568 /nfs/dbraw/zinc/18/35/68/360183568.db2.gz ZUBCMGWVEDIPIE-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000092968422 360207227 /nfs/dbraw/zinc/20/72/27/360207227.db2.gz KITRKMMKBCCGIR-ZDUSSCGKSA-N 1 2 245.330 1.752 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000092968422 360207231 /nfs/dbraw/zinc/20/72/31/360207231.db2.gz KITRKMMKBCCGIR-ZDUSSCGKSA-N 1 2 245.330 1.752 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cnnn1C ZINC000093340035 360234217 /nfs/dbraw/zinc/23/42/17/360234217.db2.gz HYWUANGVBCJPHB-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cnnn1C ZINC000093340035 360234222 /nfs/dbraw/zinc/23/42/22/360234222.db2.gz HYWUANGVBCJPHB-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cnnn1C ZINC000093340034 360234734 /nfs/dbraw/zinc/23/47/34/360234734.db2.gz HYWUANGVBCJPHB-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cnnn1C ZINC000093340034 360234738 /nfs/dbraw/zinc/23/47/38/360234738.db2.gz HYWUANGVBCJPHB-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1O ZINC000093343548 360236185 /nfs/dbraw/zinc/23/61/85/360236185.db2.gz JXBPNFNUTWZUHD-ZJUUUORDSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1O ZINC000093343548 360236189 /nfs/dbraw/zinc/23/61/89/360236189.db2.gz JXBPNFNUTWZUHD-ZJUUUORDSA-N 1 2 229.320 1.031 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc[nH]2)CCS1 ZINC000093502197 360250843 /nfs/dbraw/zinc/25/08/43/360250843.db2.gz GQGNCMBVEKCGQS-JTQLQIEISA-N 1 2 211.334 1.737 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCC1 ZINC000613001556 360259516 /nfs/dbraw/zinc/25/95/16/360259516.db2.gz LBNVTABZDPIHQY-YUSALJHKSA-N 1 2 247.342 1.828 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093589190 360262333 /nfs/dbraw/zinc/26/23/33/360262333.db2.gz BIDWLQCHAJZHKR-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000093589190 360262337 /nfs/dbraw/zinc/26/23/37/360262337.db2.gz BIDWLQCHAJZHKR-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1cc[nH+]c1CNc1ncnc2c1CCCC2 ZINC000094872184 360323885 /nfs/dbraw/zinc/32/38/85/360323885.db2.gz RFBHOKIFSCXXBC-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614150779 363736871 /nfs/dbraw/zinc/73/68/71/363736871.db2.gz CNBOPTNVAZLRCS-DNJQJEMRSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614150779 363736872 /nfs/dbraw/zinc/73/68/72/363736872.db2.gz CNBOPTNVAZLRCS-DNJQJEMRSA-N 1 2 245.326 1.429 20 0 BDADLO NC(=O)c1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000123823386 181303499 /nfs/dbraw/zinc/30/34/99/181303499.db2.gz PGKJYARDLCNWDX-UHFFFAOYSA-N 1 2 231.255 1.225 20 0 BDADLO CCC(F)(F)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000628838668 360691789 /nfs/dbraw/zinc/69/17/89/360691789.db2.gz IMDFTTXHBDWHDX-SECBINFHSA-N 1 2 245.273 1.996 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N(C1CC1)C1CC1 ZINC000628815760 360668370 /nfs/dbraw/zinc/66/83/70/360668370.db2.gz VZVLKWWGEOGXRP-UHFFFAOYSA-N 1 2 219.288 1.496 20 0 BDADLO CCOc1nnc(C[N@H+](CC)C2CC2)s1 ZINC000063493901 360775754 /nfs/dbraw/zinc/77/57/54/360775754.db2.gz OSLFAUQXZGFXKF-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO CCOc1nnc(C[N@@H+](CC)C2CC2)s1 ZINC000063493901 360775757 /nfs/dbraw/zinc/77/57/57/360775757.db2.gz OSLFAUQXZGFXKF-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO C/C=C/CNC(=O)CCc1c[nH+]cn1C ZINC000629034322 360820470 /nfs/dbraw/zinc/82/04/70/360820470.db2.gz JKPJNQOFZVQEKO-ONEGZZNKSA-N 1 2 207.277 1.045 20 0 BDADLO CSCC[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000154625252 360842697 /nfs/dbraw/zinc/84/26/97/360842697.db2.gz FWDMXDCZRRNKOP-SECBINFHSA-N 1 2 227.333 1.311 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629146328 360902191 /nfs/dbraw/zinc/90/21/91/360902191.db2.gz SXDFLGWFZTYJMA-NEPJUHHUSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629146328 360902197 /nfs/dbraw/zinc/90/21/97/360902197.db2.gz SXDFLGWFZTYJMA-NEPJUHHUSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1nc(N2CC[C@H](C)C(C)(C)C2)nc(N)[nH+]1 ZINC000631208545 361062934 /nfs/dbraw/zinc/06/29/34/361062934.db2.gz DRHIKWDHOHIWKQ-QMMMGPOBSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C)C(C)(C)C2)[nH+]1 ZINC000631208545 361062936 /nfs/dbraw/zinc/06/29/36/361062936.db2.gz DRHIKWDHOHIWKQ-QMMMGPOBSA-N 1 2 235.335 1.465 20 0 BDADLO CCc1cc(NCC2(CO)CCC2)nc[nH+]1 ZINC000309681132 491154365 /nfs/dbraw/zinc/15/43/65/491154365.db2.gz ZNFOMHOIFVMBBM-UHFFFAOYSA-N 1 2 221.304 1.614 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640477167 361252389 /nfs/dbraw/zinc/25/23/89/361252389.db2.gz RFJATVIRCBYKLN-BXKDBHETSA-N 1 2 238.356 1.833 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640477167 361252394 /nfs/dbraw/zinc/25/23/94/361252394.db2.gz RFJATVIRCBYKLN-BXKDBHETSA-N 1 2 238.356 1.833 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640484868 361277046 /nfs/dbraw/zinc/27/70/46/361277046.db2.gz GCKNGZZRDXKEJV-KWQFWETISA-N 1 2 239.344 1.228 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000640484868 361277051 /nfs/dbraw/zinc/27/70/51/361277051.db2.gz GCKNGZZRDXKEJV-KWQFWETISA-N 1 2 239.344 1.228 20 0 BDADLO C[C@H](CC(=O)N1CCCOCC1)n1cc[nH+]c1 ZINC000578993581 366689895 /nfs/dbraw/zinc/68/98/95/366689895.db2.gz XQPSVQZXJQZLCJ-LLVKDONJSA-N 1 2 237.303 1.083 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579000202 366691179 /nfs/dbraw/zinc/69/11/79/366691179.db2.gz BINQJFUWRPHKSZ-GHMZBOCLSA-N 1 2 224.348 1.633 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)ncn1 ZINC000428297300 201007253 /nfs/dbraw/zinc/00/72/53/201007253.db2.gz SMLZPCFHZIPCRG-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)ncn1 ZINC000428297300 201007256 /nfs/dbraw/zinc/00/72/56/201007256.db2.gz SMLZPCFHZIPCRG-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO Cc1nnc(C[N@H+](Cc2cccnc2)C(C)C)[nH]1 ZINC000428299703 201007671 /nfs/dbraw/zinc/00/76/71/201007671.db2.gz XNQNNEWKGKXJRU-UHFFFAOYSA-N 1 2 245.330 1.919 20 0 BDADLO Cc1nnc(C[N@@H+](Cc2cccnc2)C(C)C)[nH]1 ZINC000428299703 201007672 /nfs/dbraw/zinc/00/76/72/201007672.db2.gz XNQNNEWKGKXJRU-UHFFFAOYSA-N 1 2 245.330 1.919 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1nc(C)oc1C ZINC000579024233 366695719 /nfs/dbraw/zinc/69/57/19/366695719.db2.gz KWYRNRPCUGUGPB-UHFFFAOYSA-N 1 2 248.286 1.438 20 0 BDADLO CC(C)c1nc(CN2CC[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000428201727 201001876 /nfs/dbraw/zinc/00/18/76/201001876.db2.gz BXHDBIHRPLQLRJ-JTQLQIEISA-N 1 2 237.351 1.064 20 0 BDADLO CC(C)c1nc(CN2CC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000428201727 201001879 /nfs/dbraw/zinc/00/18/79/201001879.db2.gz BXHDBIHRPLQLRJ-JTQLQIEISA-N 1 2 237.351 1.064 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](OCC(C)C)C2)[nH]1 ZINC000428397954 201014433 /nfs/dbraw/zinc/01/44/33/201014433.db2.gz GNCXUCNRKCSACQ-LLVKDONJSA-N 1 2 238.335 1.360 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)[nH]1 ZINC000428397954 201014435 /nfs/dbraw/zinc/01/44/35/201014435.db2.gz GNCXUCNRKCSACQ-LLVKDONJSA-N 1 2 238.335 1.360 20 0 BDADLO CCCc1c(C)[nH]n(CC[NH+](C)C)c1=O ZINC000614187288 363748912 /nfs/dbraw/zinc/74/89/12/363748912.db2.gz YOMMFOCZITTZRH-SNVBAGLBSA-N 1 2 211.309 1.182 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[C@@H]1C ZINC000431315369 192913486 /nfs/dbraw/zinc/91/34/86/192913486.db2.gz XXOLGVKDMAIXJE-GXSJLCMTSA-N 1 2 249.314 1.688 20 0 BDADLO Cn1nnc(C[NH+](C2CCC2)C2CCC2)n1 ZINC000429140298 201073720 /nfs/dbraw/zinc/07/37/20/201073720.db2.gz JAGMSRRDFMKCKC-UHFFFAOYSA-N 1 2 221.308 1.117 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cc(C)ncn1 ZINC000428994809 201057856 /nfs/dbraw/zinc/05/78/56/201057856.db2.gz PRBBMFIDFAQNFZ-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cc(C)ncn1 ZINC000428994809 201057860 /nfs/dbraw/zinc/05/78/60/201057860.db2.gz PRBBMFIDFAQNFZ-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)[nH]1 ZINC000428987081 201058686 /nfs/dbraw/zinc/05/86/86/201058686.db2.gz SGMDALUTTMAYEY-QMMMGPOBSA-N 1 2 248.252 1.887 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)[nH]1 ZINC000428987081 201058689 /nfs/dbraw/zinc/05/86/89/201058689.db2.gz SGMDALUTTMAYEY-QMMMGPOBSA-N 1 2 248.252 1.887 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614243789 363759676 /nfs/dbraw/zinc/75/96/76/363759676.db2.gz FGZOPQPFGNEYLD-OPRDCNLKSA-N 1 2 233.315 1.524 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614243789 363759681 /nfs/dbraw/zinc/75/96/81/363759681.db2.gz FGZOPQPFGNEYLD-OPRDCNLKSA-N 1 2 233.315 1.524 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccncc1Cl ZINC000429116826 201068102 /nfs/dbraw/zinc/06/81/02/201068102.db2.gz SKGYEQWPLQUNBB-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccncc1Cl ZINC000429116826 201068105 /nfs/dbraw/zinc/06/81/05/201068105.db2.gz SKGYEQWPLQUNBB-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000429275957 201090028 /nfs/dbraw/zinc/09/00/28/201090028.db2.gz ROUXFRQSWVOPNG-VIFPVBQESA-N 1 2 206.293 1.666 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000429275957 201090030 /nfs/dbraw/zinc/09/00/30/201090030.db2.gz ROUXFRQSWVOPNG-VIFPVBQESA-N 1 2 206.293 1.666 20 0 BDADLO CCc1nnc(C[N@H+](C)C(C)(C)COC)[nH]1 ZINC000429266968 201084126 /nfs/dbraw/zinc/08/41/26/201084126.db2.gz YYDUVPRQJASWSA-UHFFFAOYSA-N 1 2 226.324 1.224 20 0 BDADLO CCc1nnc(C[N@@H+](C)C(C)(C)COC)[nH]1 ZINC000429266968 201084128 /nfs/dbraw/zinc/08/41/28/201084128.db2.gz YYDUVPRQJASWSA-UHFFFAOYSA-N 1 2 226.324 1.224 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C1(CO)CCC1 ZINC000429253267 201084801 /nfs/dbraw/zinc/08/48/01/201084801.db2.gz NQYSBSWLPWRJJY-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C1(CO)CCC1 ZINC000429253267 201084802 /nfs/dbraw/zinc/08/48/02/201084802.db2.gz NQYSBSWLPWRJJY-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1nc(C)cs1 ZINC000429297280 201096012 /nfs/dbraw/zinc/09/60/12/201096012.db2.gz TXVPNXNWRQARTN-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO CC[C@H]1CC[N@H+]1CC(=O)Nc1nc(C)cs1 ZINC000429297280 201096014 /nfs/dbraw/zinc/09/60/14/201096014.db2.gz TXVPNXNWRQARTN-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CC1(C)COC1 ZINC000429302112 201098030 /nfs/dbraw/zinc/09/80/30/201098030.db2.gz QLXVHONXJBQNDI-UHFFFAOYSA-N 1 2 238.335 1.327 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CC1(C)COC1 ZINC000429302112 201098033 /nfs/dbraw/zinc/09/80/33/201098033.db2.gz QLXVHONXJBQNDI-UHFFFAOYSA-N 1 2 238.335 1.327 20 0 BDADLO CCc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000429308366 201098874 /nfs/dbraw/zinc/09/88/74/201098874.db2.gz QQRHKWCZBOURIA-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CCc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000429308366 201098878 /nfs/dbraw/zinc/09/88/78/201098878.db2.gz QQRHKWCZBOURIA-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO C[C@@H](C[N@@H+]1CCc2n[nH]nc2C1)c1ccccc1 ZINC000429314392 201099741 /nfs/dbraw/zinc/09/97/41/201099741.db2.gz WDAPVRRVESDPEV-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H](C[N@H+]1CCc2n[nH]nc2C1)c1ccccc1 ZINC000429314392 201099743 /nfs/dbraw/zinc/09/97/43/201099743.db2.gz WDAPVRRVESDPEV-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N(C)C(C)C ZINC000429367337 201103296 /nfs/dbraw/zinc/10/32/96/201103296.db2.gz SSWWOVVBDGXROW-UHFFFAOYSA-N 1 2 238.331 1.887 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)N(C)C(C)C ZINC000429367337 201103299 /nfs/dbraw/zinc/10/32/99/201103299.db2.gz SSWWOVVBDGXROW-UHFFFAOYSA-N 1 2 238.331 1.887 20 0 BDADLO CO[C@@H](C)CSCCn1cc[nH+]c1 ZINC000181157379 366790834 /nfs/dbraw/zinc/79/08/34/366790834.db2.gz QBIREAUNEDJDLT-VIFPVBQESA-N 1 2 200.307 1.651 20 0 BDADLO C[C@H]1CC[N@H+](CCOCC2CC2)CC[S@@]1=O ZINC000429596394 201121173 /nfs/dbraw/zinc/12/11/73/201121173.db2.gz YBGYJDQULBBLPU-ZBEGNZNMSA-N 1 2 245.388 1.256 20 0 BDADLO C[C@H]1CC[N@@H+](CCOCC2CC2)CC[S@@]1=O ZINC000429596394 201121175 /nfs/dbraw/zinc/12/11/75/201121175.db2.gz YBGYJDQULBBLPU-ZBEGNZNMSA-N 1 2 245.388 1.256 20 0 BDADLO CC[N@H+](CC(C)(C)O)[C@H](C)c1noc(C)n1 ZINC000429689218 201126116 /nfs/dbraw/zinc/12/61/16/201126116.db2.gz FCPCFVZIOVECJP-MRVPVSSYSA-N 1 2 227.308 1.532 20 0 BDADLO CC[N@@H+](CC(C)(C)O)[C@H](C)c1noc(C)n1 ZINC000429689218 201126119 /nfs/dbraw/zinc/12/61/19/201126119.db2.gz FCPCFVZIOVECJP-MRVPVSSYSA-N 1 2 227.308 1.532 20 0 BDADLO COCc1nc(C[NH2+]C2(C3CC3)CC2)no1 ZINC000309890616 491157833 /nfs/dbraw/zinc/15/78/33/491157833.db2.gz CINIBDVCVMCQQK-UHFFFAOYSA-N 1 2 223.276 1.248 20 0 BDADLO CC[C@H]1COCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000433770480 201193491 /nfs/dbraw/zinc/19/34/91/201193491.db2.gz FQDVAXBIPYACIA-JTQLQIEISA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCOC[C@@H]2C)[nH+]1 ZINC000433782133 201193925 /nfs/dbraw/zinc/19/39/25/201193925.db2.gz ZBSSVXUKPQTEQW-QMMMGPOBSA-N 1 2 232.287 1.491 20 0 BDADLO COCc1noc([C@H]([NH3+])c2cccc(OC)c2)n1 ZINC000629678186 361600754 /nfs/dbraw/zinc/60/07/54/361600754.db2.gz IIGCUZPVPNCPRE-LLVKDONJSA-N 1 2 249.270 1.273 20 0 BDADLO CN1C[C@H](Nc2cc3ccccc3c[nH+]2)CC1=O ZINC000631124391 361584266 /nfs/dbraw/zinc/58/42/66/361584266.db2.gz KPTLBTSWDQBGNB-GFCCVEGCSA-N 1 2 241.294 1.877 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000434547538 201226665 /nfs/dbraw/zinc/22/66/65/201226665.db2.gz NVNFGMJWGFWKKE-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000434547538 201226672 /nfs/dbraw/zinc/22/66/72/201226672.db2.gz NVNFGMJWGFWKKE-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCSC ZINC000153478740 201241649 /nfs/dbraw/zinc/24/16/49/201241649.db2.gz BJDBUMZTHKNBGP-UHFFFAOYSA-N 1 2 205.323 1.281 20 0 BDADLO C[C@@H](CO)Nc1ccc(-c2cnn(C)c2)c[nH+]1 ZINC000629689857 361624457 /nfs/dbraw/zinc/62/44/57/361624457.db2.gz BLQSMCFVSFHMEM-VIFPVBQESA-N 1 2 232.287 1.275 20 0 BDADLO C[C@@H](N[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000083143117 491160048 /nfs/dbraw/zinc/16/00/48/491160048.db2.gz ZDAGONGMNYCWMV-ZJUUUORDSA-N 1 2 225.361 1.888 20 0 BDADLO C[C@@H](N[C@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000083143117 491160049 /nfs/dbraw/zinc/16/00/49/491160049.db2.gz ZDAGONGMNYCWMV-ZJUUUORDSA-N 1 2 225.361 1.888 20 0 BDADLO C[C@H](N[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000083143111 491160056 /nfs/dbraw/zinc/16/00/56/491160056.db2.gz ZDAGONGMNYCWMV-VHSXEESVSA-N 1 2 225.361 1.888 20 0 BDADLO C[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000083143111 491160057 /nfs/dbraw/zinc/16/00/57/491160057.db2.gz ZDAGONGMNYCWMV-VHSXEESVSA-N 1 2 225.361 1.888 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000154542196 201283975 /nfs/dbraw/zinc/28/39/75/201283975.db2.gz JNVNDOUWPBCIHP-UWVGGRQHSA-N 1 2 231.361 1.813 20 0 BDADLO Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC000634312248 361654682 /nfs/dbraw/zinc/65/46/82/361654682.db2.gz ICXXWAWKBNQQDN-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CCn1nc(C)cc1-c1ccc(NC)[nH+]c1 ZINC000629745142 361679241 /nfs/dbraw/zinc/67/92/41/361679241.db2.gz VGCZAQPUUVXUDG-UHFFFAOYSA-N 1 2 216.288 1.737 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000435981146 201304743 /nfs/dbraw/zinc/30/47/43/201304743.db2.gz UVPAOWHQUPXESH-GRYCIOLGSA-N 1 2 245.326 1.360 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000450245421 201314625 /nfs/dbraw/zinc/31/46/25/201314625.db2.gz PEJRCXCTJQXTET-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)s1 ZINC000450245421 201314628 /nfs/dbraw/zinc/31/46/28/201314628.db2.gz PEJRCXCTJQXTET-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CC[C@H](O)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000448576820 201335071 /nfs/dbraw/zinc/33/50/71/201335071.db2.gz FFKQOCFMXXOIPK-NSHDSACASA-N 1 2 247.298 1.112 20 0 BDADLO C[C@@H](CC(=O)N1COCC1(C)C)n1cc[nH+]c1 ZINC000614427924 363813311 /nfs/dbraw/zinc/81/33/11/363813311.db2.gz VUBDVTVLOJRXME-JTQLQIEISA-N 1 2 237.303 1.429 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614602551 363906033 /nfs/dbraw/zinc/90/60/33/363906033.db2.gz FSGIDWAOBJOSFI-KHQFGBGNSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614602551 363906035 /nfs/dbraw/zinc/90/60/35/363906035.db2.gz FSGIDWAOBJOSFI-KHQFGBGNSA-N 1 2 219.288 1.039 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2CCC2(C)C)c[nH+]1 ZINC000614739327 363949018 /nfs/dbraw/zinc/94/90/18/363949018.db2.gz JPMFHJZQOJIOMH-SNVBAGLBSA-N 1 2 248.330 1.250 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CC1 ZINC000622082497 370698585 /nfs/dbraw/zinc/69/85/85/370698585.db2.gz OQSPEHAMVZNJPY-QMMMGPOBSA-N 1 2 207.277 1.490 20 0 BDADLO CC(C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409672 364142724 /nfs/dbraw/zinc/14/27/24/364142724.db2.gz XIXPLHBRHQZACY-UHFFFAOYSA-N 1 2 210.281 1.207 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CC1 ZINC000622082496 370699367 /nfs/dbraw/zinc/69/93/67/370699367.db2.gz OQSPEHAMVZNJPY-MRVPVSSYSA-N 1 2 207.277 1.490 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCOC1 ZINC000622082419 370699879 /nfs/dbraw/zinc/69/98/79/370699879.db2.gz MROLZVOLVQVOFO-ZJUUUORDSA-N 1 2 237.303 1.117 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCCO1 ZINC000622082556 370699898 /nfs/dbraw/zinc/69/98/98/370699898.db2.gz PKABBJZEKCVJTB-NXEZZACHSA-N 1 2 237.303 1.259 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C1CC1)C1CC1 ZINC000630395199 364118670 /nfs/dbraw/zinc/11/86/70/364118670.db2.gz XOELOIIHGIWZNX-JTQLQIEISA-N 1 2 248.330 1.608 20 0 BDADLO Cc1ncc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)o1 ZINC000622100201 370708579 /nfs/dbraw/zinc/70/85/79/370708579.db2.gz LTEGMTPDFPTYMW-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO COC[C@@]1(C)C[C@@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000630606484 364330427 /nfs/dbraw/zinc/33/04/27/364330427.db2.gz YQZAHWIGKOJAIE-NWDGAFQWSA-N 1 2 247.302 1.120 20 0 BDADLO CCN(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630707353 364478540 /nfs/dbraw/zinc/47/85/40/364478540.db2.gz XTFQKNMTSXTYKY-UHFFFAOYSA-N 1 2 243.310 1.893 20 0 BDADLO CCc1nocc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615159329 364551620 /nfs/dbraw/zinc/55/16/20/364551620.db2.gz ZJIWREQCNVFPRS-SSDOTTSWSA-N 1 2 234.259 1.451 20 0 BDADLO CC1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000622237508 370782596 /nfs/dbraw/zinc/78/25/96/370782596.db2.gz FDFDWNGDSYFUDE-MCIGGMRASA-N 1 2 247.342 1.608 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC1CSC1 ZINC000630867188 364698214 /nfs/dbraw/zinc/69/82/14/364698214.db2.gz QUZUTXSNHLCDTA-UHFFFAOYSA-N 1 2 238.312 1.782 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1C=CCCC1)C(C)C ZINC000167798729 364811984 /nfs/dbraw/zinc/81/19/84/364811984.db2.gz TZMMZSLFFWRWDD-QWRGUYRKSA-N 1 2 211.305 1.882 20 0 BDADLO COC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C(C)C ZINC000090451895 325676752 /nfs/dbraw/zinc/67/67/52/325676752.db2.gz ANGBYTYXRMZKNS-MNOVXSKESA-N 1 2 245.363 1.977 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)[C@@H](C)[C@H](C)O1 ZINC000438370475 541411155 /nfs/dbraw/zinc/41/11/55/541411155.db2.gz CKMQWXATYSCFIK-VWYCJHECSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)[C@@H](C)[C@H](C)O1 ZINC000438370475 541411157 /nfs/dbraw/zinc/41/11/57/541411157.db2.gz CKMQWXATYSCFIK-VWYCJHECSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@@H](C(=O)[O-])C1 ZINC000573926669 364947482 /nfs/dbraw/zinc/94/74/82/364947482.db2.gz CBMZFOXKHHNENA-MWLCHTKSSA-N 1 2 249.314 1.179 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@@H](C(=O)[O-])C1 ZINC000573926669 364947489 /nfs/dbraw/zinc/94/74/89/364947489.db2.gz CBMZFOXKHHNENA-MWLCHTKSSA-N 1 2 249.314 1.179 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000573948861 364953391 /nfs/dbraw/zinc/95/33/91/364953391.db2.gz XUPVNSDFMNYVKW-ZYHUDNBSSA-N 1 2 235.331 1.610 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000573948860 364953564 /nfs/dbraw/zinc/95/35/64/364953564.db2.gz XUPVNSDFMNYVKW-PWSUYJOCSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](CO)C1 ZINC000574186635 365006799 /nfs/dbraw/zinc/00/67/99/365006799.db2.gz PVGQXJJHALUFHL-NSHDSACASA-N 1 2 221.304 1.302 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000574337329 365039603 /nfs/dbraw/zinc/03/96/03/365039603.db2.gz QBYLFQUUALMWKH-RKDXNWHRSA-N 1 2 237.303 1.196 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000574337323 365041460 /nfs/dbraw/zinc/04/14/60/365041460.db2.gz QBYLFQUUALMWKH-BDAKNGLRSA-N 1 2 237.303 1.196 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccoc1 ZINC000168974405 365047204 /nfs/dbraw/zinc/04/72/04/365047204.db2.gz NCISHIJATXUQHY-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO Cc1cc(SC[C@H]2C[N@H+](C)CCO2)ncn1 ZINC000574396312 365052767 /nfs/dbraw/zinc/05/27/67/365052767.db2.gz PVRSUSJFFSLQRO-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1cc(SC[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC000574396312 365052772 /nfs/dbraw/zinc/05/27/72/365052772.db2.gz PVRSUSJFFSLQRO-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO C[C@H]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000574553914 365088944 /nfs/dbraw/zinc/08/89/44/365088944.db2.gz ZPTRTVYDDLPNSP-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC12CCC(CC1)CC2 ZINC000574613129 365100369 /nfs/dbraw/zinc/10/03/69/365100369.db2.gz HFUBTCPPWBPFAM-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000574615615 365102288 /nfs/dbraw/zinc/10/22/88/365102288.db2.gz KUOIMCVGXWDECO-SNVBAGLBSA-N 1 2 248.330 1.528 20 0 BDADLO CCC(CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000574694716 365123602 /nfs/dbraw/zinc/12/36/02/365123602.db2.gz WTASLXAGBCFMAM-LBPRGKRZSA-N 1 2 249.358 1.998 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ocnc1C1CC1 ZINC000574851583 365158613 /nfs/dbraw/zinc/15/86/13/365158613.db2.gz STYCJGKPAZHZIP-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC[C@@]1(C)C[N@@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000442887399 193000315 /nfs/dbraw/zinc/00/03/15/193000315.db2.gz WISYJDDTLJQAOL-YPMHNXCESA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@]1(C)C[N@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000442887399 193000317 /nfs/dbraw/zinc/00/03/17/193000317.db2.gz WISYJDDTLJQAOL-YPMHNXCESA-N 1 2 241.331 1.439 20 0 BDADLO CCN(CC1CCC1)C(=O)Cc1c[nH+]cn1C ZINC000575033497 365172507 /nfs/dbraw/zinc/17/25/07/365172507.db2.gz OHPDFGZGCZYDOO-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCOC[C@H]1C ZINC000574766987 365140167 /nfs/dbraw/zinc/14/01/67/365140167.db2.gz ZSFHANVMWMGVBI-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCOC[C@H]1C ZINC000574766987 365140171 /nfs/dbraw/zinc/14/01/71/365140171.db2.gz ZSFHANVMWMGVBI-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000574771045 365142560 /nfs/dbraw/zinc/14/25/60/365142560.db2.gz OLMBHGGFIXSAOK-MXWKQRLJSA-N 1 2 235.331 1.751 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000574771045 365142566 /nfs/dbraw/zinc/14/25/66/365142566.db2.gz OLMBHGGFIXSAOK-MXWKQRLJSA-N 1 2 235.331 1.751 20 0 BDADLO CCC[C@@H](CC)NC(=O)Cc1c[nH+]cn1C ZINC000554536329 325726081 /nfs/dbraw/zinc/72/60/81/325726081.db2.gz MHQYZFDYXSDRPH-SNVBAGLBSA-N 1 2 223.320 1.658 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)C2)n1C ZINC000171686857 365225503 /nfs/dbraw/zinc/22/55/03/365225503.db2.gz PPPRSCVBCPEKKV-MRVPVSSYSA-N 1 2 226.349 1.061 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)C2)n1C ZINC000171686857 365225511 /nfs/dbraw/zinc/22/55/11/365225511.db2.gz PPPRSCVBCPEKKV-MRVPVSSYSA-N 1 2 226.349 1.061 20 0 BDADLO CCn1ccnc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000575071463 365187530 /nfs/dbraw/zinc/18/75/30/365187530.db2.gz ZBTFIOJLARCHRM-UHFFFAOYSA-N 1 2 236.319 1.183 20 0 BDADLO COC1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000575069896 365187849 /nfs/dbraw/zinc/18/78/49/365187849.db2.gz MHRKFMWEBIYPDU-UHFFFAOYSA-N 1 2 245.282 1.114 20 0 BDADLO COCCOCCNc1cc[nH+]c(C(C)C)n1 ZINC000171836170 365245319 /nfs/dbraw/zinc/24/53/19/365245319.db2.gz JTGCJVKPQABVMB-UHFFFAOYSA-N 1 2 239.319 1.675 20 0 BDADLO Cc1ccc(NCc2cnc(N)s2)c[nH+]1 ZINC000379787750 365269800 /nfs/dbraw/zinc/26/98/00/365269800.db2.gz IJDBGTVACJYKIS-UHFFFAOYSA-N 1 2 220.301 1.871 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncccn2)CCS1 ZINC000192049389 365271471 /nfs/dbraw/zinc/27/14/71/365271471.db2.gz XCYLDJWQGOMRHQ-SNVBAGLBSA-N 1 2 223.345 1.804 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncccn2)CCS1 ZINC000192049389 365271483 /nfs/dbraw/zinc/27/14/83/365271483.db2.gz XCYLDJWQGOMRHQ-SNVBAGLBSA-N 1 2 223.345 1.804 20 0 BDADLO Cc1cc(NC(=O)NCC[C@H](C)F)c(C)c[nH+]1 ZINC000575328282 365292525 /nfs/dbraw/zinc/29/25/25/365292525.db2.gz KLHCYENQHVEXKN-VIFPVBQESA-N 1 2 239.294 1.990 20 0 BDADLO CC[N@H+](Cc1ccc2c(n1)CCC2)C1COC1 ZINC000580525096 365301464 /nfs/dbraw/zinc/30/14/64/365301464.db2.gz MHFADGJCYQPNGV-UHFFFAOYSA-N 1 2 232.327 1.791 20 0 BDADLO CC[N@@H+](Cc1ccc2c(n1)CCC2)C1COC1 ZINC000580525096 365301467 /nfs/dbraw/zinc/30/14/67/365301467.db2.gz MHFADGJCYQPNGV-UHFFFAOYSA-N 1 2 232.327 1.791 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)O1 ZINC000579556411 366868532 /nfs/dbraw/zinc/86/85/32/366868532.db2.gz GUIWUDJEPHCRHB-NXEZZACHSA-N 1 2 249.314 1.725 20 0 BDADLO CC(C)N(CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000555297283 325752016 /nfs/dbraw/zinc/75/20/16/325752016.db2.gz LFQHUNDXTOJBQC-UHFFFAOYSA-N 1 2 221.304 1.530 20 0 BDADLO CCC1(O)CN(c2nc(C)[nH+]cc2C)C1 ZINC000580537450 365370908 /nfs/dbraw/zinc/37/09/08/365370908.db2.gz PDWXNINRMWHQPC-UHFFFAOYSA-N 1 2 207.277 1.055 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576203521 365520517 /nfs/dbraw/zinc/52/05/17/365520517.db2.gz QJUKPEDUIDLKNG-BBBLOLIVSA-N 1 2 248.330 1.459 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576203521 365520522 /nfs/dbraw/zinc/52/05/22/365520522.db2.gz QJUKPEDUIDLKNG-BBBLOLIVSA-N 1 2 248.330 1.459 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)C(F)(F)F ZINC000576150149 365501454 /nfs/dbraw/zinc/50/14/54/365501454.db2.gz GEXDFINZPXAHBH-LURJTMIESA-N 1 2 235.209 1.030 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579610033 366907797 /nfs/dbraw/zinc/90/77/97/366907797.db2.gz PLLLAQKKNIWNEM-AEJSXWLSSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579610033 366907801 /nfs/dbraw/zinc/90/78/01/366907801.db2.gz PLLLAQKKNIWNEM-AEJSXWLSSA-N 1 2 239.319 1.128 20 0 BDADLO C[C@H](CC(=O)Nc1ccnn1C)n1cc[nH+]c1 ZINC000579717671 366990955 /nfs/dbraw/zinc/99/09/55/366990955.db2.gz GSDAJFFXOAVOSK-SECBINFHSA-N 1 2 233.275 1.206 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCCO1)C1CC1 ZINC000579816392 367019744 /nfs/dbraw/zinc/01/97/44/367019744.db2.gz BWCNCDTZSRBSEO-MNOVXSKESA-N 1 2 249.314 1.166 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC000185127357 367119934 /nfs/dbraw/zinc/11/99/34/367119934.db2.gz UHQHQGKYZWAAJU-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC000185127357 367119938 /nfs/dbraw/zinc/11/99/38/367119938.db2.gz UHQHQGKYZWAAJU-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ccc(CN2C(=O)CC(C)(C)C2=O)c(C)[nH+]1 ZINC000185360848 367128985 /nfs/dbraw/zinc/12/89/85/367128985.db2.gz JUYPWPJFXWXJQP-UHFFFAOYSA-N 1 2 246.310 1.984 20 0 BDADLO O=C(Nc1cnccn1)c1ccc2[nH+]ccn2c1 ZINC000184883049 367106384 /nfs/dbraw/zinc/10/63/84/367106384.db2.gz OVSAVAAEGQMMGS-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC1(F)F ZINC000622309383 370836720 /nfs/dbraw/zinc/83/67/20/370836720.db2.gz OXZWFPCCMQADSE-JGVFFNPUSA-N 1 2 229.230 1.043 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CC2 ZINC000622309065 370837077 /nfs/dbraw/zinc/83/70/77/370837077.db2.gz BPGWIERPCFBENN-UWVGGRQHSA-N 1 2 219.288 1.188 20 0 BDADLO COCc1noc([C@@H]([NH3+])c2ccc(C)cc2)n1 ZINC000580714075 367147339 /nfs/dbraw/zinc/14/73/39/367147339.db2.gz JCWXMKMXZLOSNV-NSHDSACASA-N 1 2 233.271 1.573 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622291346 370826213 /nfs/dbraw/zinc/82/62/13/370826213.db2.gz INULQBJDNJJCTO-VIFPVBQESA-N 1 2 235.331 1.944 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000622318682 370845416 /nfs/dbraw/zinc/84/54/16/370845416.db2.gz XRZWJZZUBROHHH-UHFFFAOYSA-N 1 2 247.273 1.765 20 0 BDADLO CN(C[C@@H]1CCCO1)c1cc(NC2CC2)[nH+]cn1 ZINC000581178560 367284091 /nfs/dbraw/zinc/28/40/91/367284091.db2.gz WXYQSSJJKRZWMV-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CN(C[C@@H]1CCCO1)c1cc(NC2CC2)nc[nH+]1 ZINC000581178560 367284097 /nfs/dbraw/zinc/28/40/97/367284097.db2.gz WXYQSSJJKRZWMV-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCC[C@@H]2C(F)F)C1 ZINC000581141613 367276511 /nfs/dbraw/zinc/27/65/11/367276511.db2.gz XRCKCOSLVJCBAZ-SECBINFHSA-N 1 2 246.301 1.584 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C1CC1)C1CC1 ZINC000195063645 367334543 /nfs/dbraw/zinc/33/45/43/367334543.db2.gz JAOITNYBPNETTP-UHFFFAOYSA-N 1 2 220.320 1.906 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C1CC1)C1CC1 ZINC000195063645 367334550 /nfs/dbraw/zinc/33/45/50/367334550.db2.gz JAOITNYBPNETTP-UHFFFAOYSA-N 1 2 220.320 1.906 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000581328123 367351599 /nfs/dbraw/zinc/35/15/99/367351599.db2.gz JREAUDFUMGHAMW-KXUCPTDWSA-N 1 2 240.376 1.702 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000581328123 367351601 /nfs/dbraw/zinc/35/16/01/367351601.db2.gz JREAUDFUMGHAMW-KXUCPTDWSA-N 1 2 240.376 1.702 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C(=O)OC ZINC000381508207 367422203 /nfs/dbraw/zinc/42/22/03/367422203.db2.gz KHZUXTUIFVJETC-IUCAKERBSA-N 1 2 235.274 1.963 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC000195513967 367365793 /nfs/dbraw/zinc/36/57/93/367365793.db2.gz KFCLLPAVLNBJAI-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nncn1C ZINC000195513967 367365800 /nfs/dbraw/zinc/36/58/00/367365800.db2.gz KFCLLPAVLNBJAI-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO CCn1ccnc1C[N@H+](C)[C@H](C)COC ZINC000195514814 367366500 /nfs/dbraw/zinc/36/65/00/367366500.db2.gz ZCRFSSCOQNKFCX-SNVBAGLBSA-N 1 2 211.309 1.370 20 0 BDADLO CCn1ccnc1C[N@@H+](C)[C@H](C)COC ZINC000195514814 367366505 /nfs/dbraw/zinc/36/65/05/367366505.db2.gz ZCRFSSCOQNKFCX-SNVBAGLBSA-N 1 2 211.309 1.370 20 0 BDADLO COC[C@H](C)C[NH2+][C@H](CC(F)F)C(=O)OC ZINC000381774132 367457086 /nfs/dbraw/zinc/45/70/86/367457086.db2.gz WOOJNJMRZRSBGQ-HTQZYQBOSA-N 1 2 239.262 1.055 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H]1C[C@H](C)O ZINC000383493570 367629228 /nfs/dbraw/zinc/62/92/28/367629228.db2.gz CTRZCLTYQFSGKB-QWRGUYRKSA-N 1 2 236.315 1.830 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581675265 367704193 /nfs/dbraw/zinc/70/41/93/367704193.db2.gz MTSFNSRUADBALZ-BDAKNGLRSA-N 1 2 241.360 1.456 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581675265 367704197 /nfs/dbraw/zinc/70/41/97/367704197.db2.gz MTSFNSRUADBALZ-BDAKNGLRSA-N 1 2 241.360 1.456 20 0 BDADLO CC[C@H](COC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581676244 367706689 /nfs/dbraw/zinc/70/66/89/367706689.db2.gz PZCSYBKAMWCISZ-NXEZZACHSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@H](COC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581676244 367706691 /nfs/dbraw/zinc/70/66/91/367706691.db2.gz PZCSYBKAMWCISZ-NXEZZACHSA-N 1 2 239.319 1.130 20 0 BDADLO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC(C)(C)C ZINC000384762937 367728609 /nfs/dbraw/zinc/72/86/09/367728609.db2.gz OGVZNVBIFHGYHY-DBIOUOCHSA-N 1 2 243.347 1.872 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc[nH+]1 ZINC000385050578 367779518 /nfs/dbraw/zinc/77/95/18/367779518.db2.gz BQCJZFOCXYPNBZ-OPRDCNLKSA-N 1 2 207.277 1.763 20 0 BDADLO CC[C@H]1[C@@H](CO)CCN1c1cc[nH+]c(C)n1 ZINC000385866306 367870986 /nfs/dbraw/zinc/87/09/86/367870986.db2.gz IKEFHYDGDPTYNT-MNOVXSKESA-N 1 2 221.304 1.382 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000581851732 367843290 /nfs/dbraw/zinc/84/32/90/367843290.db2.gz BMCVYJHOSLLLQQ-IJLUTSLNSA-N 1 2 235.331 1.824 20 0 BDADLO CCN(CCC1CC1)c1nc(C)[nH+]c(N)n1 ZINC000385609938 367846333 /nfs/dbraw/zinc/84/63/33/367846333.db2.gz JCKRDCGXEAUDNK-UHFFFAOYSA-N 1 2 221.308 1.219 20 0 BDADLO CCN(CCC1CC1)c1nc(N)nc(C)[nH+]1 ZINC000385609938 367846338 /nfs/dbraw/zinc/84/63/38/367846338.db2.gz JCKRDCGXEAUDNK-UHFFFAOYSA-N 1 2 221.308 1.219 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000385634471 367849566 /nfs/dbraw/zinc/84/95/66/367849566.db2.gz JARVBESVLXVAAL-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](CO)[C@@H]2C)no1 ZINC000385634471 367849577 /nfs/dbraw/zinc/84/95/77/367849577.db2.gz JARVBESVLXVAAL-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCn1nnc(C)c1CNc1cc[nH+]cc1F ZINC000581926106 367942597 /nfs/dbraw/zinc/94/25/97/367942597.db2.gz JCSAKQKFQQTZBU-UHFFFAOYSA-N 1 2 235.266 1.175 20 0 BDADLO Cc1ccccc1C[N@H+](C)CCS(C)(=O)=O ZINC000061760203 368568691 /nfs/dbraw/zinc/56/86/91/368568691.db2.gz OBLQGZSOKJNHDN-UHFFFAOYSA-N 1 2 241.356 1.471 20 0 BDADLO Cc1ccccc1C[N@@H+](C)CCS(C)(=O)=O ZINC000061760203 368568697 /nfs/dbraw/zinc/56/86/97/368568697.db2.gz OBLQGZSOKJNHDN-UHFFFAOYSA-N 1 2 241.356 1.471 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000061758309 368568826 /nfs/dbraw/zinc/56/88/26/368568826.db2.gz CVTQZTHLYNYIGB-UHFFFAOYSA-N 1 2 241.356 1.553 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000061758309 368568833 /nfs/dbraw/zinc/56/88/33/368568833.db2.gz CVTQZTHLYNYIGB-UHFFFAOYSA-N 1 2 241.356 1.553 20 0 BDADLO CN(C)C(=O)CC[N@H+](C)Cc1cscn1 ZINC000063591781 368589754 /nfs/dbraw/zinc/58/97/54/368589754.db2.gz POHKFBFWODEPMA-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO CN(C)C(=O)CC[N@@H+](C)Cc1cscn1 ZINC000063591781 368589759 /nfs/dbraw/zinc/58/97/59/368589759.db2.gz POHKFBFWODEPMA-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO CC(C)c1nc(C[N@H+](CCO)CC2CC2)no1 ZINC000064515985 368607429 /nfs/dbraw/zinc/60/74/29/368607429.db2.gz QXRUINUPRMHUQZ-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1nc(C[N@@H+](CCO)CC2CC2)no1 ZINC000064515985 368607435 /nfs/dbraw/zinc/60/74/35/368607435.db2.gz QXRUINUPRMHUQZ-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO C/C=C/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000072525332 368772851 /nfs/dbraw/zinc/77/28/51/368772851.db2.gz WANYQXMCYIDTGF-WJPDYIDTSA-N 1 2 219.288 1.522 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cccnc1 ZINC000073887573 368819695 /nfs/dbraw/zinc/81/96/95/368819695.db2.gz VSYNNBWJNLAHRH-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cccnc1 ZINC000073887573 368819699 /nfs/dbraw/zinc/81/96/99/368819699.db2.gz VSYNNBWJNLAHRH-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccno2)cn1 ZINC000072803345 368781180 /nfs/dbraw/zinc/78/11/80/368781180.db2.gz XHMVXOIVNIJKIN-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccno2)cn1 ZINC000072803345 368781181 /nfs/dbraw/zinc/78/11/81/368781181.db2.gz XHMVXOIVNIJKIN-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO CCC(C)(C)CC(=O)NCC[NH+]1CCOCC1 ZINC000072934605 368785440 /nfs/dbraw/zinc/78/54/40/368785440.db2.gz OGYIYPYBVDSKMT-UHFFFAOYSA-N 1 2 242.363 1.261 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCCF)c2[nH+]ccn21 ZINC000615962706 368797522 /nfs/dbraw/zinc/79/75/22/368797522.db2.gz GPZXRVWKQFHHGU-RKDXNWHRSA-N 1 2 225.267 1.755 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)c2[nH+]ccn21 ZINC000615962360 368798149 /nfs/dbraw/zinc/79/81/49/368798149.db2.gz BWCLHKLPQMCALY-JGVFFNPUSA-N 1 2 231.259 1.042 20 0 BDADLO CC1(C)CCC(O)(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000087046139 368888044 /nfs/dbraw/zinc/88/80/44/368888044.db2.gz DNNVLCXMAGJTBN-UHFFFAOYSA-N 1 2 237.347 1.831 20 0 BDADLO Cn1cc[nH+]c1CNc1cnn(CCF)c1 ZINC000623659420 369028331 /nfs/dbraw/zinc/02/83/31/369028331.db2.gz XSQGUTNVFLCDMW-UHFFFAOYSA-N 1 2 223.255 1.198 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000457556468 203074091 /nfs/dbraw/zinc/07/40/91/203074091.db2.gz HTLMTSAITFLFAX-MRVPVSSYSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000457452838 203065256 /nfs/dbraw/zinc/06/52/56/203065256.db2.gz SNWVTGZLGKSQIP-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@]1(NC(=O)NCCn2cc[nH+]c2)CC=CCC1 ZINC000457467239 203067539 /nfs/dbraw/zinc/06/75/39/203067539.db2.gz MQTPZMFBXLEUDH-ZDUSSCGKSA-N 1 2 248.330 1.681 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457863794 203113728 /nfs/dbraw/zinc/11/37/28/203113728.db2.gz TVGHBEXDMHZZSV-NSHDSACASA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854420 203113105 /nfs/dbraw/zinc/11/31/05/203113105.db2.gz KHVRTWKIEFVOEF-NEPJUHHUSA-N 1 2 235.331 1.371 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCc1ccoc1 ZINC000618474146 369151782 /nfs/dbraw/zinc/15/17/82/369151782.db2.gz FNCJFSQNDKJIEW-UHFFFAOYSA-N 1 2 233.271 1.213 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000618419510 369142062 /nfs/dbraw/zinc/14/20/62/369142062.db2.gz GCCPXWNSCCFFOM-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C(C)(C)C2CCC2)c1 ZINC000457870641 203114805 /nfs/dbraw/zinc/11/48/05/203114805.db2.gz MPMKJNDQVIKKBK-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457873958 203114926 /nfs/dbraw/zinc/11/49/26/203114926.db2.gz QGCIHADZRZDYBU-YPMHNXCESA-N 1 2 249.358 1.905 20 0 BDADLO CCOCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619010819 369257396 /nfs/dbraw/zinc/25/73/96/369257396.db2.gz JYEZIRSTHBUJRP-UHFFFAOYSA-N 1 2 233.271 1.618 20 0 BDADLO CC(=O)CCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619011019 369257477 /nfs/dbraw/zinc/25/74/77/369257477.db2.gz NVAIOLVIQJDUAY-UHFFFAOYSA-N 1 2 245.282 1.950 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459318886 203256016 /nfs/dbraw/zinc/25/60/16/203256016.db2.gz WEIVJBUCEIMSQW-JTQLQIEISA-N 1 2 233.315 1.575 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459318886 203256021 /nfs/dbraw/zinc/25/60/21/203256021.db2.gz WEIVJBUCEIMSQW-JTQLQIEISA-N 1 2 233.315 1.575 20 0 BDADLO CC(C)OC1CC([N@H+](C)Cc2nnc[nH]2)C1 ZINC000459341588 203259518 /nfs/dbraw/zinc/25/95/18/203259518.db2.gz JZQIJDNKZSYBAU-UHFFFAOYSA-N 1 2 224.308 1.193 20 0 BDADLO CC(C)OC1CC([N@@H+](C)Cc2nnc[nH]2)C1 ZINC000459341588 203259521 /nfs/dbraw/zinc/25/95/21/203259521.db2.gz JZQIJDNKZSYBAU-UHFFFAOYSA-N 1 2 224.308 1.193 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459336877 203260766 /nfs/dbraw/zinc/26/07/66/203260766.db2.gz AZOUZTHQRNXHJB-LLVKDONJSA-N 1 2 243.738 1.647 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459336877 203260769 /nfs/dbraw/zinc/26/07/69/203260769.db2.gz AZOUZTHQRNXHJB-LLVKDONJSA-N 1 2 243.738 1.647 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000459483648 203289781 /nfs/dbraw/zinc/28/97/81/203289781.db2.gz GCRHPQRKBPKJMM-JGVFFNPUSA-N 1 2 239.275 1.087 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000459483648 203289785 /nfs/dbraw/zinc/28/97/85/203289785.db2.gz GCRHPQRKBPKJMM-JGVFFNPUSA-N 1 2 239.275 1.087 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC[C@H]1CF ZINC000459484685 203289901 /nfs/dbraw/zinc/28/99/01/203289901.db2.gz HLIFKNFDPSKOSO-VIFPVBQESA-N 1 2 212.272 1.232 20 0 BDADLO CCn1nncc1C[N@H+]1CCC[C@H]1CF ZINC000459484685 203289903 /nfs/dbraw/zinc/28/99/03/203289903.db2.gz HLIFKNFDPSKOSO-VIFPVBQESA-N 1 2 212.272 1.232 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)no1 ZINC000459438542 203281174 /nfs/dbraw/zinc/28/11/74/203281174.db2.gz UOIBLHAMRDURRV-UHFFFAOYSA-N 1 2 232.287 1.478 20 0 BDADLO CC[C@@](COC)([NH2+]CCC(C)C)C(=O)OC ZINC000459583802 203306869 /nfs/dbraw/zinc/30/68/69/203306869.db2.gz GDTIHTOPYPXKCF-LBPRGKRZSA-N 1 2 231.336 1.590 20 0 BDADLO CC[C@@](COC)([NH2+]CC1CCC1)C(=O)OC ZINC000459591293 203310654 /nfs/dbraw/zinc/31/06/54/203310654.db2.gz NVLLUHHLMKHMBJ-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000567714815 326249829 /nfs/dbraw/zinc/24/98/29/326249829.db2.gz DNZZBDLMQNREFD-ILWJIGKKSA-N 1 2 219.288 1.257 20 0 BDADLO COc1ccc(C[NH+]2CC(OC)C2)cc1O ZINC000459577537 203304087 /nfs/dbraw/zinc/30/40/87/203304087.db2.gz HHXPKBKMTVAROU-UHFFFAOYSA-N 1 2 223.272 1.231 20 0 BDADLO CCCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000057379518 369394155 /nfs/dbraw/zinc/39/41/55/369394155.db2.gz DYAISPFDPSTPMZ-UHFFFAOYSA-N 1 2 238.335 1.763 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622485304 370952508 /nfs/dbraw/zinc/95/25/08/370952508.db2.gz KCJFMFQKVOOZGC-JTQLQIEISA-N 1 2 235.331 1.944 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000459767379 203360262 /nfs/dbraw/zinc/36/02/62/203360262.db2.gz FJJATKRAGDVAMO-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO CC(C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000082277242 370976968 /nfs/dbraw/zinc/97/69/68/370976968.db2.gz PUZLNTMETUXYFI-VIFPVBQESA-N 1 2 209.293 1.643 20 0 BDADLO COc1ccc2[nH+]c(N3CC[C@@H](O)C3)ccc2c1 ZINC000117865845 370978580 /nfs/dbraw/zinc/97/85/80/370978580.db2.gz MPXMWZRVGRZKPA-LLVKDONJSA-N 1 2 244.294 1.814 20 0 BDADLO CC(C)(NC(=O)c1cc[nH]c1)c1[nH]cc[nH+]1 ZINC000568068931 326303656 /nfs/dbraw/zinc/30/36/56/326303656.db2.gz WQKWJHSICPFXKY-UHFFFAOYSA-N 1 2 218.260 1.403 20 0 BDADLO C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H](C)C(=O)[O-] ZINC000568060843 326302233 /nfs/dbraw/zinc/30/22/33/326302233.db2.gz QPAHIOMHGNMHNA-RYUDHWBXSA-N 1 2 242.363 1.417 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cn1 ZINC000620598065 369949234 /nfs/dbraw/zinc/94/92/34/369949234.db2.gz XIOPHMLXGUNYIO-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](NC(=O)CCn1cccc1)c1[nH+]ccn1C ZINC000620599702 369949253 /nfs/dbraw/zinc/94/92/53/369949253.db2.gz HYCZLRWYJJCYOQ-NSHDSACASA-N 1 2 246.314 1.489 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)c1[nH+]ccn1C ZINC000620603727 369951421 /nfs/dbraw/zinc/95/14/21/369951421.db2.gz KWQPEIPGSGLDIW-IVZWLZJFSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1[nH+]ccn1C ZINC000620603725 369951835 /nfs/dbraw/zinc/95/18/35/369951835.db2.gz KWQPEIPGSGLDIW-AEJSXWLSSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@H](NC(=O)C[C@@H]1C=CCC1)c1[nH+]ccn1C ZINC000620591482 369944354 /nfs/dbraw/zinc/94/43/54/369944354.db2.gz CSKOWCILMUSVEG-WDEREUQCSA-N 1 2 233.315 1.954 20 0 BDADLO C[C@H](NC(=O)CC1CC1)c1[nH+]ccn1C ZINC000620594429 369946753 /nfs/dbraw/zinc/94/67/53/369946753.db2.gz AKNWQZADMISEKB-QMMMGPOBSA-N 1 2 207.277 1.397 20 0 BDADLO CCO[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620596351 369947458 /nfs/dbraw/zinc/94/74/58/369947458.db2.gz OACNOUTYDNZYLP-IUCAKERBSA-N 1 2 225.292 1.022 20 0 BDADLO O=C(CCc1ccccc1F)NCc1[nH]cc[nH+]1 ZINC000074828055 370046843 /nfs/dbraw/zinc/04/68/43/370046843.db2.gz XMRPTQXGZXLGLG-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO CCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000074904704 370057721 /nfs/dbraw/zinc/05/77/21/370057721.db2.gz UTEAHCNTRLEGRP-UHFFFAOYSA-N 1 2 218.260 1.866 20 0 BDADLO Cc1cc(N)nc(SCc2nccnc2C)[nH+]1 ZINC000631005392 370123118 /nfs/dbraw/zinc/12/31/18/370123118.db2.gz ILGQNTLJTBBRIA-UHFFFAOYSA-N 1 2 247.327 1.588 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000621214895 370159408 /nfs/dbraw/zinc/15/94/08/370159408.db2.gz OBUHHQNQUPTMLB-IQLKVPPVSA-N 1 2 245.326 1.456 20 0 BDADLO Clc1cncc(C[N@@H+]2CCn3ncnc3C2)c1 ZINC000621279892 370210594 /nfs/dbraw/zinc/21/05/94/370210594.db2.gz FXBRUWXOIUMYTQ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cncc(C[N@H+]2CCn3ncnc3C2)c1 ZINC000621279892 370210597 /nfs/dbraw/zinc/21/05/97/370210597.db2.gz FXBRUWXOIUMYTQ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cncc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000621312643 370237570 /nfs/dbraw/zinc/23/75/70/370237570.db2.gz AQDUNYYZXLLHPO-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cncc(C[N@H+]2CCn3nncc3C2)c1 ZINC000621312643 370237573 /nfs/dbraw/zinc/23/75/73/370237573.db2.gz AQDUNYYZXLLHPO-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cncc(C[N@@H+]2CCn3cnnc3C2)c1 ZINC000621256036 370187817 /nfs/dbraw/zinc/18/78/17/370187817.db2.gz PVKAGJLXYHFUTN-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cncc(C[N@H+]2CCn3cnnc3C2)c1 ZINC000621256036 370187819 /nfs/dbraw/zinc/18/78/19/370187819.db2.gz PVKAGJLXYHFUTN-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@@H]1CC1(F)F ZINC000621346691 370281211 /nfs/dbraw/zinc/28/12/11/370281211.db2.gz WKQVJXUBUSEXFV-MRVPVSSYSA-N 1 2 243.257 1.673 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1CO ZINC000621347732 370282248 /nfs/dbraw/zinc/28/22/48/370282248.db2.gz KVPALSLGURFWNX-PWSUYJOCSA-N 1 2 247.342 1.809 20 0 BDADLO C[C@@H]1CCN(c2cccc[nH+]2)C[C@@H]1CO ZINC000621348137 370282275 /nfs/dbraw/zinc/28/22/75/370282275.db2.gz SPMNBOZAYGVCFV-GHMZBOCLSA-N 1 2 206.289 1.536 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1CO ZINC000621347731 370282309 /nfs/dbraw/zinc/28/23/09/370282309.db2.gz KVPALSLGURFWNX-JQWIXIFHSA-N 1 2 247.342 1.809 20 0 BDADLO CC1(C)CC[C@@H](CO)[N@H+](Cc2csnn2)C1 ZINC000621380699 370324260 /nfs/dbraw/zinc/32/42/60/370324260.db2.gz BQWMGSKHZKYGBH-JTQLQIEISA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2csnn2)C1 ZINC000621380699 370324263 /nfs/dbraw/zinc/32/42/63/370324263.db2.gz BQWMGSKHZKYGBH-JTQLQIEISA-N 1 2 241.360 1.521 20 0 BDADLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000112616751 370334115 /nfs/dbraw/zinc/33/41/15/370334115.db2.gz OZRDFYZOCQGIIH-JTQLQIEISA-N 1 2 248.317 1.880 20 0 BDADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112616751 370334121 /nfs/dbraw/zinc/33/41/21/370334121.db2.gz OZRDFYZOCQGIIH-JTQLQIEISA-N 1 2 248.317 1.880 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2nccnc2C)CCO1 ZINC000621724180 370475679 /nfs/dbraw/zinc/47/56/79/370475679.db2.gz ASXMZNSVPTWCEV-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621724180 370475683 /nfs/dbraw/zinc/47/56/83/370475683.db2.gz ASXMZNSVPTWCEV-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@H]1F ZINC000568382626 326351822 /nfs/dbraw/zinc/35/18/22/326351822.db2.gz FCSFNQCMOOKBQI-ZYHUDNBSSA-N 1 2 239.294 1.528 20 0 BDADLO C[C@H](c1ccco1)c1noc(C[NH+](C)C)n1 ZINC000621795640 370542765 /nfs/dbraw/zinc/54/27/65/370542765.db2.gz NHNILPIWFPGLFD-MRVPVSSYSA-N 1 2 221.260 1.876 20 0 BDADLO CC[C@H](C)[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078253043 370546699 /nfs/dbraw/zinc/54/66/99/370546699.db2.gz PNBQDKFGPHZOJR-CABZTGNLSA-N 1 2 223.320 1.994 20 0 BDADLO CC(C)(C(=O)NC[C@H]1CC1(C)C)c1c[nH]c[nH+]1 ZINC000621867037 370571694 /nfs/dbraw/zinc/57/16/94/370571694.db2.gz RVMFWGLBSWYRFN-SECBINFHSA-N 1 2 235.331 1.850 20 0 BDADLO CC(C)(C(=O)NC[C@@H]1CC1(C)C)c1c[nH]c[nH+]1 ZINC000621867038 370572169 /nfs/dbraw/zinc/57/21/69/370572169.db2.gz RVMFWGLBSWYRFN-VIFPVBQESA-N 1 2 235.331 1.850 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621968388 370626334 /nfs/dbraw/zinc/62/63/34/370626334.db2.gz FWMSGAMDFLYZKE-IUCAKERBSA-N 1 2 239.319 1.227 20 0 BDADLO Cc1cc(C)c(CNC(=O)C[C@@H]2CCOC2)c[nH+]1 ZINC000622667589 371046981 /nfs/dbraw/zinc/04/69/81/371046981.db2.gz MBROWKXFKMDQIF-LBPRGKRZSA-N 1 2 248.326 1.741 20 0 BDADLO CC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)CCO1 ZINC000389606736 371148023 /nfs/dbraw/zinc/14/80/23/371148023.db2.gz YRSCCEHSRDOGSZ-BBBLOLIVSA-N 1 2 215.293 1.095 20 0 BDADLO CSC[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000389941432 371182189 /nfs/dbraw/zinc/18/21/89/371182189.db2.gz ORLWOJITHXYUCA-JTQLQIEISA-N 1 2 230.308 1.169 20 0 BDADLO CC(C)c1nc(NC[C@H](O)C2CC2)cc[nH+]1 ZINC000390535915 371213005 /nfs/dbraw/zinc/21/30/05/371213005.db2.gz KEOVMSPACDVEOE-JTQLQIEISA-N 1 2 221.304 1.205 20 0 BDADLO CN(C)c1ncc(C[NH2+]Cc2cocn2)s1 ZINC000390676440 371225489 /nfs/dbraw/zinc/22/54/89/371225489.db2.gz XVKVZQYMAGEURQ-UHFFFAOYSA-N 1 2 238.316 1.487 20 0 BDADLO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)o1 ZINC000624017703 371254097 /nfs/dbraw/zinc/25/40/97/371254097.db2.gz CYEWYHZMMJDLGP-QWRGUYRKSA-N 1 2 249.314 1.706 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]c1)c1nnc2ccccn21 ZINC000624211747 371398183 /nfs/dbraw/zinc/39/81/83/371398183.db2.gz BUSFEYULVXOHOC-SECBINFHSA-N 1 2 242.286 1.303 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000624397136 371499861 /nfs/dbraw/zinc/49/98/61/371499861.db2.gz PVSDQOHDGADCDL-IAZYJMLFSA-N 1 2 236.315 1.543 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](C)[C@H](CO)C1 ZINC000624413684 371502787 /nfs/dbraw/zinc/50/27/87/371502787.db2.gz NTHWHQVRDYVHLF-QWRGUYRKSA-N 1 2 236.315 1.545 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000131090772 371556796 /nfs/dbraw/zinc/55/67/96/371556796.db2.gz ZAGQCTUJUCGQLJ-KXUCPTDWSA-N 1 2 231.336 1.730 20 0 BDADLO Cc1cc(N2CCC(=O)CC(C)(C)C2)nc[nH+]1 ZINC000624529099 371533442 /nfs/dbraw/zinc/53/34/42/371533442.db2.gz DZYXCMOPKGQCQV-UHFFFAOYSA-N 1 2 233.315 1.981 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000627367641 371585773 /nfs/dbraw/zinc/58/57/73/371585773.db2.gz AIIOQYFONBUADQ-SECBINFHSA-N 1 2 245.282 1.691 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000627367641 371585778 /nfs/dbraw/zinc/58/57/78/371585778.db2.gz AIIOQYFONBUADQ-SECBINFHSA-N 1 2 245.282 1.691 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370292 371587631 /nfs/dbraw/zinc/58/76/31/371587631.db2.gz UTDKPJOHFSQGIC-SNVBAGLBSA-N 1 2 235.331 1.977 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370292 371587635 /nfs/dbraw/zinc/58/76/35/371587635.db2.gz UTDKPJOHFSQGIC-SNVBAGLBSA-N 1 2 235.331 1.977 20 0 BDADLO Cc1cnccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370246 371587914 /nfs/dbraw/zinc/58/79/14/371587914.db2.gz SDPJCCSQSFJDAX-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1cnccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370246 371587923 /nfs/dbraw/zinc/58/79/23/371587923.db2.gz SDPJCCSQSFJDAX-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO CCCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC000573217880 326436148 /nfs/dbraw/zinc/43/61/48/326436148.db2.gz SUTRQGBZXCLRBW-UHFFFAOYSA-N 1 2 223.320 1.920 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)CC[S@](C)=O ZINC000228266471 372010168 /nfs/dbraw/zinc/01/01/68/372010168.db2.gz BCUDCQVKHSYAKD-BEPCFFQHSA-N 1 2 243.376 1.526 20 0 BDADLO CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000031560277 372082227 /nfs/dbraw/zinc/08/22/27/372082227.db2.gz IXFLEYAVUQUPCA-YVMONPNESA-N 1 2 244.338 1.864 20 0 BDADLO O=c1ccc(C[NH2+]CC(F)(F)C(F)F)c[nH]1 ZINC000631144010 372208608 /nfs/dbraw/zinc/20/86/08/372208608.db2.gz YCLCZGNPIBQNOG-UHFFFAOYSA-N 1 2 238.184 1.777 20 0 BDADLO CCC[C@H](C)[C@H]1CCCN1c1nc(C)[nH+]c(N)n1 ZINC000631169807 372216319 /nfs/dbraw/zinc/21/63/19/372216319.db2.gz JDXSKSIGGBJTOZ-GXSJLCMTSA-N 1 2 249.362 1.998 20 0 BDADLO CCC[C@H](C)[C@H]1CCCN1c1nc(N)nc(C)[nH+]1 ZINC000631169807 372216321 /nfs/dbraw/zinc/21/63/21/372216321.db2.gz JDXSKSIGGBJTOZ-GXSJLCMTSA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N2CCc3ccsc3C2)nc(N)[nH+]1 ZINC000631185258 372221194 /nfs/dbraw/zinc/22/11/94/372221194.db2.gz DCFXBQAKLBLLBC-UHFFFAOYSA-N 1 2 247.327 1.217 20 0 BDADLO Cc1nc(N)nc(N2CCc3ccsc3C2)[nH+]1 ZINC000631185258 372221198 /nfs/dbraw/zinc/22/11/98/372221198.db2.gz DCFXBQAKLBLLBC-UHFFFAOYSA-N 1 2 247.327 1.217 20 0 BDADLO COC[C@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000631203378 372233391 /nfs/dbraw/zinc/23/33/91/372233391.db2.gz NVZJPLPILQQQFQ-VIFPVBQESA-N 1 2 209.293 1.594 20 0 BDADLO CO[C@@H](C)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631240779 372255184 /nfs/dbraw/zinc/25/51/84/372255184.db2.gz OEUJNJLXCATXPM-QMMMGPOBSA-N 1 2 246.314 1.704 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)cc[nH+]1 ZINC000631253785 372262408 /nfs/dbraw/zinc/26/24/08/372262408.db2.gz KEYYWFONZZOXBG-JBLDHEPKSA-N 1 2 234.299 1.564 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@H]2C2CC2)nc(N)[nH+]1 ZINC000631300041 372284408 /nfs/dbraw/zinc/28/44/08/372284408.db2.gz ZNZJFRVPASKYMD-QWRGUYRKSA-N 1 2 247.346 1.253 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@H]2C2CC2)[nH+]1 ZINC000631300041 372284414 /nfs/dbraw/zinc/28/44/14/372284414.db2.gz ZNZJFRVPASKYMD-QWRGUYRKSA-N 1 2 247.346 1.253 20 0 BDADLO Cc1nc(N2CC(C)(C)C[C@@H]2C)nc(N)[nH+]1 ZINC000631304420 372286670 /nfs/dbraw/zinc/28/66/70/372286670.db2.gz UBVGMMBSSOQMAN-ZETCQYMHSA-N 1 2 221.308 1.217 20 0 BDADLO Cc1nc(N)nc(N2CC(C)(C)C[C@@H]2C)[nH+]1 ZINC000631304420 372286674 /nfs/dbraw/zinc/28/66/74/372286674.db2.gz UBVGMMBSSOQMAN-ZETCQYMHSA-N 1 2 221.308 1.217 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](O)C[C@H]2C)[nH+]1 ZINC000631434703 372362045 /nfs/dbraw/zinc/36/20/45/372362045.db2.gz VQHULXJTSMYFRP-PSASIEDQSA-N 1 2 246.314 1.616 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC1CSC1 ZINC000631595241 372447102 /nfs/dbraw/zinc/44/71/02/372447102.db2.gz WMFXLOQHPSBIIU-UHFFFAOYSA-N 1 2 225.317 1.087 20 0 BDADLO c1cn2c([nH+]1)[C@@H](Nc1cnn3c1CCCC3)CC2 ZINC000631711889 372517416 /nfs/dbraw/zinc/51/74/16/372517416.db2.gz RVBYMIDYVMFMTF-JTQLQIEISA-N 1 2 243.314 1.973 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)c(C)c[nH+]1 ZINC000632023979 372729195 /nfs/dbraw/zinc/72/91/95/372729195.db2.gz ZRMFDHCPNALSIH-GRYCIOLGSA-N 1 2 248.326 1.872 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cc[nH]c1 ZINC000171920436 372819485 /nfs/dbraw/zinc/81/94/85/372819485.db2.gz ZWZLOPNLPMYMJR-UHFFFAOYSA-N 1 2 230.271 1.728 20 0 BDADLO CC[C@H](C)Cc1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000632249503 372830756 /nfs/dbraw/zinc/83/07/56/372830756.db2.gz OUUAMUNRIIINBA-UWVGGRQHSA-N 1 2 239.319 1.661 20 0 BDADLO CC[C@H](C)Cc1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000632249503 372830767 /nfs/dbraw/zinc/83/07/67/372830767.db2.gz OUUAMUNRIIINBA-UWVGGRQHSA-N 1 2 239.319 1.661 20 0 BDADLO O=C(COCc1[nH]cc[nH+]1)Nc1ccccc1 ZINC000123720821 182000392 /nfs/dbraw/zinc/00/03/92/182000392.db2.gz NCBWYZJVMCRUCH-UHFFFAOYSA-N 1 2 231.255 1.565 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000172072199 372861878 /nfs/dbraw/zinc/86/18/78/372861878.db2.gz HCEVEBLHVDAWKX-JTQLQIEISA-N 1 2 244.335 1.232 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000172072199 372861887 /nfs/dbraw/zinc/86/18/87/372861887.db2.gz HCEVEBLHVDAWKX-JTQLQIEISA-N 1 2 244.335 1.232 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)NCc1[nH]cc[nH+]1 ZINC000275275520 182014806 /nfs/dbraw/zinc/01/48/06/182014806.db2.gz JQFJYEHFGNMZEH-SNVBAGLBSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(C[C@@H]1CCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329372396 182019700 /nfs/dbraw/zinc/01/97/00/182019700.db2.gz MMNQRLXDYOGDPG-QWRGUYRKSA-N 1 2 249.314 1.642 20 0 BDADLO O=C(C[C@@H]1CCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329372397 182019807 /nfs/dbraw/zinc/01/98/07/182019807.db2.gz MMNQRLXDYOGDPG-WDEREUQCSA-N 1 2 249.314 1.642 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000172250369 372920786 /nfs/dbraw/zinc/92/07/86/372920786.db2.gz AKBDNZPCHUMQJA-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(F)F ZINC000172250369 372920792 /nfs/dbraw/zinc/92/07/92/372920792.db2.gz AKBDNZPCHUMQJA-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO O=C(C[C@H]1CCCO1)Nc1cccc2[nH+]ccn21 ZINC000266090001 182029743 /nfs/dbraw/zinc/02/97/43/182029743.db2.gz MJHCTCULIAZFHR-SNVBAGLBSA-N 1 2 245.282 1.842 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC[C@H]2C)o1 ZINC000172590271 373019331 /nfs/dbraw/zinc/01/93/31/373019331.db2.gz OCEXLKJSJWLPLC-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC[C@H]2C)o1 ZINC000172590271 373019342 /nfs/dbraw/zinc/01/93/42/373019342.db2.gz OCEXLKJSJWLPLC-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO O=C(Cn1cccn1)Nc1ccn2cc[nH+]c2c1 ZINC000355285089 182069416 /nfs/dbraw/zinc/06/94/16/182069416.db2.gz BQEKKVUWRXKLAQ-UHFFFAOYSA-N 1 2 241.254 1.170 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccc(Cl)cn1 ZINC000358332967 182085259 /nfs/dbraw/zinc/08/52/59/182085259.db2.gz FPBBTXJKNZRMML-UHFFFAOYSA-N 1 2 249.657 1.510 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)O1 ZINC000633140068 373303885 /nfs/dbraw/zinc/30/38/85/373303885.db2.gz PYZYPMDOSLLMKN-CKYFFXLPSA-N 1 2 249.314 1.039 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)c1ccncc1)c1[nH]cc[nH+]1 ZINC000633171991 373321094 /nfs/dbraw/zinc/32/10/94/373321094.db2.gz VVRFDZIPOQANSO-VHSXEESVSA-N 1 2 244.298 1.786 20 0 BDADLO CC(C)(C(=O)N1CC[C@H]1C(F)F)c1c[nH+]c[nH]1 ZINC000633239294 373394281 /nfs/dbraw/zinc/39/42/81/373394281.db2.gz FANLIRAOZZIJJH-ZETCQYMHSA-N 1 2 243.257 1.553 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1C(F)F ZINC000633240178 373395877 /nfs/dbraw/zinc/39/58/77/373395877.db2.gz VGVXTJSJJVHASE-VXNVDRBHSA-N 1 2 243.257 1.454 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1C(F)F ZINC000633240178 373395884 /nfs/dbraw/zinc/39/58/84/373395884.db2.gz VGVXTJSJJVHASE-VXNVDRBHSA-N 1 2 243.257 1.454 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCC(C)(F)F ZINC000633269687 373430028 /nfs/dbraw/zinc/43/00/28/373430028.db2.gz REDGIRJVTMRNPX-UHFFFAOYSA-N 1 2 246.261 1.596 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC12CC2 ZINC000633322227 373475790 /nfs/dbraw/zinc/47/57/90/373475790.db2.gz SMEKRUMRHDIQCF-QMMMGPOBSA-N 1 2 220.276 1.104 20 0 BDADLO Cc1conc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000633334297 373480251 /nfs/dbraw/zinc/48/02/51/373480251.db2.gz PYAOZCZNOZJDDP-RKDXNWHRSA-N 1 2 246.270 1.615 20 0 BDADLO O=C(NCCC1=CCCC1)NCCn1cc[nH+]c1 ZINC000122335809 182151827 /nfs/dbraw/zinc/15/18/27/182151827.db2.gz UBRNAZKDBVQPLH-UHFFFAOYSA-N 1 2 248.330 1.683 20 0 BDADLO O=C(NCCC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368206962 182155103 /nfs/dbraw/zinc/15/51/03/182155103.db2.gz CPYNISMFWNXDGX-JTQLQIEISA-N 1 2 248.330 1.366 20 0 BDADLO O=C(NCCC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368206962 182155107 /nfs/dbraw/zinc/15/51/07/182155107.db2.gz CPYNISMFWNXDGX-JTQLQIEISA-N 1 2 248.330 1.366 20 0 BDADLO CO[C@@H]1COCC[C@H]1CNc1cccc[nH+]1 ZINC000450697347 205748391 /nfs/dbraw/zinc/74/83/91/205748391.db2.gz UVEHJVOZHXEJNF-WDEREUQCSA-N 1 2 222.288 1.545 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCC12CC2 ZINC000633777196 373747350 /nfs/dbraw/zinc/74/73/50/373747350.db2.gz GVGSOXXVOFKEBR-JTQLQIEISA-N 1 2 233.315 1.791 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC12CC2 ZINC000633777561 373748883 /nfs/dbraw/zinc/74/88/83/373748883.db2.gz HSLYOKJOFVHFJU-NSHDSACASA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCC12CC2 ZINC000633777561 373748892 /nfs/dbraw/zinc/74/88/92/373748892.db2.gz HSLYOKJOFVHFJU-NSHDSACASA-N 1 2 233.315 1.710 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1cncc(F)c1 ZINC000164141821 182178771 /nfs/dbraw/zinc/17/87/71/182178771.db2.gz LHAFTHHFVQZMRY-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000070870717 182178789 /nfs/dbraw/zinc/17/87/89/182178789.db2.gz XSWSJSXULIVCFG-UHFFFAOYSA-N 1 2 218.260 1.031 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000181680199 182179292 /nfs/dbraw/zinc/17/92/92/182179292.db2.gz FQHLBDQHJFWRAT-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC12CCCC2 ZINC000353596843 182217329 /nfs/dbraw/zinc/21/73/29/182217329.db2.gz ABKLYDTYHORRMQ-LLVKDONJSA-N 1 2 233.315 1.580 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)NC3COC3)cc2n1C ZINC000634257646 374065109 /nfs/dbraw/zinc/06/51/09/374065109.db2.gz DPKOLVGIIAJRRN-UHFFFAOYSA-N 1 2 245.282 1.010 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372309976 182253254 /nfs/dbraw/zinc/25/32/54/182253254.db2.gz QLPYNZIWCSMNEZ-SNVBAGLBSA-N 1 2 244.298 1.090 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC(C)(F)CC1 ZINC000634360174 374200222 /nfs/dbraw/zinc/20/02/22/374200222.db2.gz BZGPYYYQADMLRA-UHFFFAOYSA-N 1 2 239.294 1.313 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCC(F)(F)C1 ZINC000305914571 182247963 /nfs/dbraw/zinc/24/79/63/182247963.db2.gz ARGJKZHUFDUZLI-QMMMGPOBSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCC(F)(F)C1 ZINC000305914571 182247965 /nfs/dbraw/zinc/24/79/65/182247965.db2.gz ARGJKZHUFDUZLI-QMMMGPOBSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccoc1C1CC1 ZINC000336996917 182273272 /nfs/dbraw/zinc/27/32/72/182273272.db2.gz OVCFHCFOAULBEW-UHFFFAOYSA-N 1 2 231.255 1.810 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2c(c1)CCC2 ZINC000070991526 182274503 /nfs/dbraw/zinc/27/45/03/182274503.db2.gz CSNNMFYXHXSBDG-UHFFFAOYSA-N 1 2 241.294 1.828 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC(F)(F)C1 ZINC000300901254 182274576 /nfs/dbraw/zinc/27/45/76/182274576.db2.gz WEFCUXDSODOYAS-SSDOTTSWSA-N 1 2 229.230 1.461 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc(C3CC3)nc2)[C@H]1C ZINC000459340167 206009457 /nfs/dbraw/zinc/00/94/57/206009457.db2.gz DVGDXPWYYXSPQB-WDEREUQCSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc(C3CC3)nc2)[C@H]1C ZINC000459340167 206009461 /nfs/dbraw/zinc/00/94/61/206009461.db2.gz DVGDXPWYYXSPQB-WDEREUQCSA-N 1 2 247.342 1.963 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336519844 182288535 /nfs/dbraw/zinc/28/85/35/182288535.db2.gz MLYBIOWEEDDAPJ-BDAKNGLRSA-N 1 2 230.258 1.209 20 0 BDADLO Cc1c(CNc2cccc(CO)[nH+]2)cnn1C ZINC000432726021 206063303 /nfs/dbraw/zinc/06/33/03/206063303.db2.gz CJNUZCHJBRZILY-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO c1nc(C[N@@H+]2CCOCC23CCCC3)co1 ZINC000432728271 206063762 /nfs/dbraw/zinc/06/37/62/206063762.db2.gz YAFQMDRXDGASLE-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO c1nc(C[N@H+]2CCOCC23CCCC3)co1 ZINC000432728271 206063765 /nfs/dbraw/zinc/06/37/65/206063765.db2.gz YAFQMDRXDGASLE-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119503544 182326158 /nfs/dbraw/zinc/32/61/58/182326158.db2.gz ZLIFFAGFCDKJFU-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(N[C@H]1CC=CCC1)N1CCn2c[nH+]cc2C1 ZINC000291135954 182327130 /nfs/dbraw/zinc/32/71/30/182327130.db2.gz WSNNIBVGYFPJOJ-NSHDSACASA-N 1 2 246.314 1.517 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119503415 182324574 /nfs/dbraw/zinc/32/45/74/182324574.db2.gz ZLIFFAGFCDKJFU-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336519846 182324675 /nfs/dbraw/zinc/32/46/75/182324675.db2.gz MLYBIOWEEDDAPJ-IUCAKERBSA-N 1 2 230.258 1.209 20 0 BDADLO CCn1nncc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000459373509 206125553 /nfs/dbraw/zinc/12/55/53/206125553.db2.gz TYZPAYFGCGEHKN-SNVBAGLBSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000459373509 206125558 /nfs/dbraw/zinc/12/55/58/206125558.db2.gz TYZPAYFGCGEHKN-SNVBAGLBSA-N 1 2 238.335 1.297 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCCOC1 ZINC000266010224 182374817 /nfs/dbraw/zinc/37/48/17/182374817.db2.gz ATUIHGYMSIRDND-JTQLQIEISA-N 1 2 245.282 1.699 20 0 BDADLO CCCCO[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000151688141 168911372 /nfs/dbraw/zinc/91/13/72/168911372.db2.gz ITBVSEYZBKGSGE-VIFPVBQESA-N 1 2 237.303 1.808 20 0 BDADLO OCC1CC[NH+](Cc2nccnc2Cl)CC1 ZINC000095078726 183040753 /nfs/dbraw/zinc/04/07/53/183040753.db2.gz AEAVTDNGXZRFGK-UHFFFAOYSA-N 1 2 241.722 1.334 20 0 BDADLO OCCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126516055 183056858 /nfs/dbraw/zinc/05/68/58/183056858.db2.gz LAEYDZJLQDNIQZ-ZDUSSCGKSA-N 1 2 237.299 1.148 20 0 BDADLO OCCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126516055 183056861 /nfs/dbraw/zinc/05/68/61/183056861.db2.gz LAEYDZJLQDNIQZ-ZDUSSCGKSA-N 1 2 237.299 1.148 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@H]1CCSC1 ZINC000355471975 183064567 /nfs/dbraw/zinc/06/45/67/183064567.db2.gz MGGOZJKIVKCPCK-MRVPVSSYSA-N 1 2 225.304 1.299 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@H]1CCSC1 ZINC000355471975 183064572 /nfs/dbraw/zinc/06/45/72/183064572.db2.gz MGGOZJKIVKCPCK-MRVPVSSYSA-N 1 2 225.304 1.299 20 0 BDADLO OCCN(Cc1cccnc1)c1cccc[nH+]1 ZINC000301536454 183069936 /nfs/dbraw/zinc/06/99/36/183069936.db2.gz LYEUCYHNURVOQK-UHFFFAOYSA-N 1 2 229.283 1.476 20 0 BDADLO OCCOCC[N@H+](CC(F)F)CC1CCC1 ZINC000341758874 183082513 /nfs/dbraw/zinc/08/25/13/183082513.db2.gz CJYMFHWVINGTAG-UHFFFAOYSA-N 1 2 237.290 1.363 20 0 BDADLO OCCOCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341758874 183082516 /nfs/dbraw/zinc/08/25/16/183082516.db2.gz CJYMFHWVINGTAG-UHFFFAOYSA-N 1 2 237.290 1.363 20 0 BDADLO CCCC[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)OC ZINC000300423418 169012760 /nfs/dbraw/zinc/01/27/60/169012760.db2.gz RHYHXKLPFCHVMB-GVXVVHGQSA-N 1 2 243.347 1.875 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccno1)c1ccc(F)cc1 ZINC000273106810 183109200 /nfs/dbraw/zinc/10/92/00/183109200.db2.gz NDCYGBCXRNELSX-GFCCVEGCSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@@H]([NH2+]Cc1cocn1)c1ccc(F)cc1 ZINC000277001149 183109320 /nfs/dbraw/zinc/10/93/20/183109320.db2.gz JYUVPJQMEHAANF-GFCCVEGCSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccncc2Cl)C1 ZINC000336493769 183134041 /nfs/dbraw/zinc/13/40/41/183134041.db2.gz YRLCXZFXNBLTKP-LLVKDONJSA-N 1 2 244.697 1.641 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000336493769 183134044 /nfs/dbraw/zinc/13/40/44/183134044.db2.gz YRLCXZFXNBLTKP-LLVKDONJSA-N 1 2 244.697 1.641 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](CCOCC(F)F)C1 ZINC000367863949 183134521 /nfs/dbraw/zinc/13/45/21/183134521.db2.gz HIJBGHMHGJUCPM-SNVBAGLBSA-N 1 2 241.253 1.065 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](CCOCC(F)F)C1 ZINC000367863949 183134524 /nfs/dbraw/zinc/13/45/24/183134524.db2.gz HIJBGHMHGJUCPM-SNVBAGLBSA-N 1 2 241.253 1.065 20 0 BDADLO CCCCc1nc(C[NH2+][C@H](C)[C@H](C)CO)no1 ZINC000358791393 169026603 /nfs/dbraw/zinc/02/66/03/169026603.db2.gz LEFLKJFVPGNAJT-NXEZZACHSA-N 1 2 241.335 1.519 20 0 BDADLO CCCCc1nc(C[N@H+](CC)[C@@H](C)CO)no1 ZINC000339629670 169026635 /nfs/dbraw/zinc/02/66/35/169026635.db2.gz UCKQHGSEAQWXMY-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](CC)[C@@H](C)CO)no1 ZINC000339629670 169026637 /nfs/dbraw/zinc/02/66/37/169026637.db2.gz UCKQHGSEAQWXMY-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO OC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000294114177 183151378 /nfs/dbraw/zinc/15/13/78/183151378.db2.gz PHTQTSJPUUXCGU-NSHDSACASA-N 1 2 247.342 1.953 20 0 BDADLO OCc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000289886433 183162900 /nfs/dbraw/zinc/16/29/00/183162900.db2.gz SJWHLOGWPZQRAR-LBPRGKRZSA-N 1 2 243.278 1.068 20 0 BDADLO OCc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000289886433 183162903 /nfs/dbraw/zinc/16/29/03/183162903.db2.gz SJWHLOGWPZQRAR-LBPRGKRZSA-N 1 2 243.278 1.068 20 0 BDADLO CCCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000366648775 169046726 /nfs/dbraw/zinc/04/67/26/169046726.db2.gz AZGIZAPSVSLEBS-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO O[C@@H](COCc1cccs1)Cn1cc[nH+]c1 ZINC000068045729 183182021 /nfs/dbraw/zinc/18/20/21/183182021.db2.gz SQCDVKTVQMWPSF-SNVBAGLBSA-N 1 2 238.312 1.522 20 0 BDADLO O[C@@H](COc1ccccc1F)Cn1cc[nH+]c1 ZINC000298209607 183183847 /nfs/dbraw/zinc/18/38/47/183183847.db2.gz SIVJDGLROYVZDU-SNVBAGLBSA-N 1 2 236.246 1.462 20 0 BDADLO CCCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155080728 169051084 /nfs/dbraw/zinc/05/10/84/169051084.db2.gz PAYZOMTVRIAIRY-UHFFFAOYSA-N 1 2 249.314 1.505 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000236524432 183197851 /nfs/dbraw/zinc/19/78/51/183197851.db2.gz AVFIFNYBCLUFGR-MRVPVSSYSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000236524432 183197852 /nfs/dbraw/zinc/19/78/52/183197852.db2.gz AVFIFNYBCLUFGR-MRVPVSSYSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@H](C[N@@H+]1CCOCC12CC2)CC(F)(F)F ZINC000338592309 183221905 /nfs/dbraw/zinc/22/19/05/183221905.db2.gz KNGJJNKHDBHVQJ-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@H](C[N@H+]1CCOCC12CC2)CC(F)(F)F ZINC000338592309 183221907 /nfs/dbraw/zinc/22/19/07/183221907.db2.gz KNGJJNKHDBHVQJ-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@H](C[N@@H+]1CCOCC12CCC2)C(F)(F)F ZINC000121787463 183222026 /nfs/dbraw/zinc/22/20/26/183222026.db2.gz CXPJCMBJOQCFAS-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@H](C[N@H+]1CCOCC12CCC2)C(F)(F)F ZINC000121787463 183222029 /nfs/dbraw/zinc/22/20/29/183222029.db2.gz CXPJCMBJOQCFAS-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@H](C[NH2+]Cc1cscn1)C(F)(F)F ZINC000163671319 183224456 /nfs/dbraw/zinc/22/44/56/183224456.db2.gz GEFOSWXHBRWUQT-ZCFIWIBFSA-N 1 2 226.223 1.156 20 0 BDADLO O[C@@H]1CN(c2cc[nH+]c3ccncc32)CC12CC2 ZINC000363772104 183208714 /nfs/dbraw/zinc/20/87/14/183208714.db2.gz IHNNDCIHIYSGES-CYBMUJFWSA-N 1 2 241.294 1.591 20 0 BDADLO CCCN(CC(=O)N(C)C)c1cc[nH+]c(C)n1 ZINC000266437469 169092666 /nfs/dbraw/zinc/09/26/66/169092666.db2.gz VMSFXRJMIIVTHW-UHFFFAOYSA-N 1 2 236.319 1.090 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)COC(C)C ZINC000309056165 169109184 /nfs/dbraw/zinc/10/91/84/169109184.db2.gz MNTMMGBEJPCQHI-SNVBAGLBSA-N 1 2 239.306 1.749 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)COC(C)C ZINC000309056165 169109185 /nfs/dbraw/zinc/10/91/85/169109185.db2.gz MNTMMGBEJPCQHI-SNVBAGLBSA-N 1 2 239.306 1.749 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000270491104 183239574 /nfs/dbraw/zinc/23/95/74/183239574.db2.gz GLJYSKKCXHBORW-VIFPVBQESA-N 1 2 208.261 1.119 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000270491104 183239576 /nfs/dbraw/zinc/23/95/76/183239576.db2.gz GLJYSKKCXHBORW-VIFPVBQESA-N 1 2 208.261 1.119 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@@H]1O ZINC000093483896 183244026 /nfs/dbraw/zinc/24/40/26/183244026.db2.gz HIDXJDHRNBNPDY-AOOOYVTPSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@@H]1O ZINC000093483896 183244028 /nfs/dbraw/zinc/24/40/28/183244028.db2.gz HIDXJDHRNBNPDY-AOOOYVTPSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)C[C@@H]1O ZINC000093178205 183244265 /nfs/dbraw/zinc/24/42/65/183244265.db2.gz CLIWNDISDIYCTH-AOOOYVTPSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(F)c2Cl)C[C@@H]1O ZINC000093178205 183244268 /nfs/dbraw/zinc/24/42/68/183244268.db2.gz CLIWNDISDIYCTH-AOOOYVTPSA-N 1 2 245.681 1.017 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccncc1 ZINC000050065646 169102044 /nfs/dbraw/zinc/10/20/44/169102044.db2.gz ICLHZNOLILVBFC-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccncc1 ZINC000050065646 169102046 /nfs/dbraw/zinc/10/20/46/169102046.db2.gz ICLHZNOLILVBFC-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000044070267 183235061 /nfs/dbraw/zinc/23/50/61/183235061.db2.gz UKMCEGSMAJETLV-VIFPVBQESA-N 1 2 249.270 1.286 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000044070267 183235063 /nfs/dbraw/zinc/23/50/63/183235063.db2.gz UKMCEGSMAJETLV-VIFPVBQESA-N 1 2 249.270 1.286 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000112259592 183235117 /nfs/dbraw/zinc/23/51/17/183235117.db2.gz OTZVNSKXDCMXRV-JTQLQIEISA-N 1 2 237.328 1.353 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000112259592 183235118 /nfs/dbraw/zinc/23/51/18/183235118.db2.gz OTZVNSKXDCMXRV-JTQLQIEISA-N 1 2 237.328 1.353 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000328803442 183235277 /nfs/dbraw/zinc/23/52/77/183235277.db2.gz JZBQBXZZJYXQTP-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000328803442 183235278 /nfs/dbraw/zinc/23/52/78/183235278.db2.gz JZBQBXZZJYXQTP-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO CCC[N@H+](Cc1nnnn1C)Cc1ccccc1 ZINC000356030356 169177654 /nfs/dbraw/zinc/17/76/54/169177654.db2.gz BPAQYXJJBDWGGQ-UHFFFAOYSA-N 1 2 245.330 1.622 20 0 BDADLO CCC[N@@H+](Cc1nnnn1C)Cc1ccccc1 ZINC000356030356 169177656 /nfs/dbraw/zinc/17/76/56/169177656.db2.gz BPAQYXJJBDWGGQ-UHFFFAOYSA-N 1 2 245.330 1.622 20 0 BDADLO CCC[N@H+](CCc1cscn1)CC(=O)OC ZINC000294793218 169170170 /nfs/dbraw/zinc/17/01/70/169170170.db2.gz BNIGAOJGVCBHFZ-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCC[N@@H+](CCc1cscn1)CC(=O)OC ZINC000294793218 169170171 /nfs/dbraw/zinc/17/01/71/169170171.db2.gz BNIGAOJGVCBHFZ-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCCN(c1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000302839084 169183280 /nfs/dbraw/zinc/18/32/80/169183280.db2.gz YVUPXTXTWODWSL-UHFFFAOYSA-N 1 2 246.318 1.324 20 0 BDADLO c1c[nH+]c(CN2CCO[C@H](C3CC3)C2)[nH]1 ZINC000335307577 183325766 /nfs/dbraw/zinc/32/57/66/183325766.db2.gz NSFABMGWERKNPN-JTQLQIEISA-N 1 2 207.277 1.021 20 0 BDADLO c1cc(NCc2[nH]cc[nH+]2)n(C[C@H]2CCOC2)n1 ZINC000236616217 183327148 /nfs/dbraw/zinc/32/71/48/183327148.db2.gz ZJVMTHPMRNNAMF-SNVBAGLBSA-N 1 2 247.302 1.255 20 0 BDADLO c1c[nH]c(Sc2[nH+]cnc3[nH]ccc32)n1 ZINC000361279946 183327733 /nfs/dbraw/zinc/32/77/33/183327733.db2.gz FPLVNBLQLKFBSQ-UHFFFAOYSA-N 1 2 217.257 1.832 20 0 BDADLO c1[nH]c2nccnc2c1C[N@@H+]1CCOCC12CC2 ZINC000329748268 183328682 /nfs/dbraw/zinc/32/86/82/183328682.db2.gz ZWNVFDRIZNHNPJ-UHFFFAOYSA-N 1 2 244.298 1.274 20 0 BDADLO c1[nH]c2nccnc2c1C[N@H+]1CCOCC12CC2 ZINC000329748268 183328685 /nfs/dbraw/zinc/32/86/85/183328685.db2.gz ZWNVFDRIZNHNPJ-UHFFFAOYSA-N 1 2 244.298 1.274 20 0 BDADLO CCC[NH+]1CCN(CC2(OC)CCCC2)CC1 ZINC000361492047 169202750 /nfs/dbraw/zinc/20/27/50/169202750.db2.gz COKBVGMGMBMXQV-UHFFFAOYSA-N 1 2 240.391 1.973 20 0 BDADLO CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000293876423 169229401 /nfs/dbraw/zinc/22/94/01/169229401.db2.gz FIRQRVOYQGDCRI-ZJUUUORDSA-N 1 2 236.319 1.005 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)n[nH]1 ZINC000335434135 183344601 /nfs/dbraw/zinc/34/46/01/183344601.db2.gz MFTQLMGRAIAAPP-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)n[nH]1 ZINC000335434135 183344605 /nfs/dbraw/zinc/34/46/05/183344605.db2.gz MFTQLMGRAIAAPP-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO CCCNC(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000110255929 169217976 /nfs/dbraw/zinc/21/79/76/169217976.db2.gz IPJMBSHCFZXYRT-UHFFFAOYSA-N 1 2 248.330 1.682 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1ccccn1 ZINC000264259292 169218556 /nfs/dbraw/zinc/21/85/56/169218556.db2.gz HYGIBYCLKOXULP-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000264259292 169218558 /nfs/dbraw/zinc/21/85/58/169218558.db2.gz HYGIBYCLKOXULP-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO c1cn(-c2cccc(NCC3CC3)n2)c[nH+]1 ZINC000363721892 183333999 /nfs/dbraw/zinc/33/39/99/183333999.db2.gz LVINAXOSWXKASJ-UHFFFAOYSA-N 1 2 214.272 1.511 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000369408089 169222193 /nfs/dbraw/zinc/22/21/93/169222193.db2.gz JSPLWRMAKNHDBE-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000369408089 169222195 /nfs/dbraw/zinc/22/21/95/169222195.db2.gz JSPLWRMAKNHDBE-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc2c1OCC2 ZINC000366542678 183368374 /nfs/dbraw/zinc/36/83/74/183368374.db2.gz DILJMJXOSSPQRN-GXTWGEPZSA-N 1 2 231.295 1.595 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc2c1OCC2 ZINC000366542678 183368376 /nfs/dbraw/zinc/36/83/76/183368376.db2.gz DILJMJXOSSPQRN-GXTWGEPZSA-N 1 2 231.295 1.595 20 0 BDADLO CCc1nnc(C[N@H+](CCCO)C2CC2)s1 ZINC000680053397 487528233 /nfs/dbraw/zinc/52/82/33/487528233.db2.gz MDWYJMWNGCOZNJ-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@@H+](CCCO)C2CC2)s1 ZINC000680053397 487528240 /nfs/dbraw/zinc/52/82/40/487528240.db2.gz MDWYJMWNGCOZNJ-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO CCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000083355932 169243982 /nfs/dbraw/zinc/24/39/82/169243982.db2.gz XZLQSAKGVJKMLS-JTQLQIEISA-N 1 2 228.242 1.491 20 0 BDADLO CCCOCC(=O)NCc1c[nH+]ccc1OC ZINC000294416794 169306199 /nfs/dbraw/zinc/30/61/99/169306199.db2.gz FNXFPZZZGVAGNJ-UHFFFAOYSA-N 1 2 238.287 1.133 20 0 BDADLO CCCNc1[nH+]c(C)ccc1C(=O)OC ZINC000039087037 169295665 /nfs/dbraw/zinc/29/56/65/169295665.db2.gz MQJPRJQPXQFMFY-UHFFFAOYSA-N 1 2 208.261 1.999 20 0 BDADLO CCCOc1ccc2c(c1)CC[N@@H+](CC(N)=O)C2 ZINC000134511655 169323511 /nfs/dbraw/zinc/32/35/11/169323511.db2.gz COCBRQGNPOZFPG-UHFFFAOYSA-N 1 2 248.326 1.319 20 0 BDADLO CCCOc1ccc2c(c1)CC[N@H+](CC(N)=O)C2 ZINC000134511655 169323512 /nfs/dbraw/zinc/32/35/12/169323512.db2.gz COCBRQGNPOZFPG-UHFFFAOYSA-N 1 2 248.326 1.319 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000045858217 169368600 /nfs/dbraw/zinc/36/86/00/169368600.db2.gz UZDVQNMYPPLNCS-NXEZZACHSA-N 1 2 209.293 1.749 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000336724604 169403492 /nfs/dbraw/zinc/40/34/92/169403492.db2.gz FZOPWUUKGTUMPB-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO c1nc(CNCC[NH+]2CCSCC2)cs1 ZINC000163983228 183530345 /nfs/dbraw/zinc/53/03/45/183530345.db2.gz OJFVGVHWIVNGCJ-UHFFFAOYSA-N 1 2 243.401 1.282 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](O)C(C)(C)C)C(=O)OC ZINC000340287858 169453924 /nfs/dbraw/zinc/45/39/24/169453924.db2.gz QGRCBZRZLFZYMQ-ZWNOBZJWSA-N 1 2 245.363 1.715 20 0 BDADLO COCc1nc(C[N@@H+]2CCC(C)(C)C2)no1 ZINC000182519904 134345569 /nfs/dbraw/zinc/34/55/69/134345569.db2.gz YTXUUGWRXKSKQE-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@H+]2CCC(C)(C)C2)no1 ZINC000182519904 134345570 /nfs/dbraw/zinc/34/55/70/134345570.db2.gz YTXUUGWRXKSKQE-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000182534160 134346060 /nfs/dbraw/zinc/34/60/60/134346060.db2.gz XGGUSBVNQHFGKR-RKDXNWHRSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000182534160 134346061 /nfs/dbraw/zinc/34/60/61/134346061.db2.gz XGGUSBVNQHFGKR-RKDXNWHRSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[NH+]2[C@H](C)CC[C@H]2C)no1 ZINC000182553163 134346064 /nfs/dbraw/zinc/34/60/64/134346064.db2.gz QPJIJYVKIWVHIK-RKDXNWHRSA-N 1 2 225.292 1.589 20 0 BDADLO COCc1nc(C[N@H+](C(C)C)C2CCC2)no1 ZINC000182623278 134346518 /nfs/dbraw/zinc/34/65/18/134346518.db2.gz LDHDXGPWRJPMJN-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO COCc1nc(C[N@@H+](C(C)C)C2CCC2)no1 ZINC000182623278 134346519 /nfs/dbraw/zinc/34/65/19/134346519.db2.gz LDHDXGPWRJPMJN-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO CCOCC[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183658886 134355557 /nfs/dbraw/zinc/35/55/57/134355557.db2.gz JDKHHDSZGHQZIQ-UWVGGRQHSA-N 1 2 217.309 1.200 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CC)CSC)C(=O)OC ZINC000183869698 134357088 /nfs/dbraw/zinc/35/70/88/134357088.db2.gz RXGPIONDUBTKDN-DTWKUNHWSA-N 1 2 219.350 1.669 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)s1 ZINC000227399678 134379109 /nfs/dbraw/zinc/37/91/09/134379109.db2.gz AZCNTUVQNCSLHN-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)s1 ZINC000227399678 134379110 /nfs/dbraw/zinc/37/91/10/134379110.db2.gz AZCNTUVQNCSLHN-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000647208190 383824098 /nfs/dbraw/zinc/82/40/98/383824098.db2.gz FIUYLEBBGVLFES-VXNVDRBHSA-N 1 2 223.276 1.214 20 0 BDADLO CN(CC(=O)OC(C)(C)C)Cc1[nH]cc[nH+]1 ZINC000111213868 383843745 /nfs/dbraw/zinc/84/37/45/383843745.db2.gz XPXDHNSYZYLTST-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)C12CCC2 ZINC000087709864 383859954 /nfs/dbraw/zinc/85/99/54/383859954.db2.gz KRLIIBIMIQJJNK-DCAQKATOSA-N 1 2 241.331 1.485 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000449493826 383870433 /nfs/dbraw/zinc/87/04/33/383870433.db2.gz MHIILLWNHFMQGG-GXFFZTMASA-N 1 2 237.347 1.965 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000449493826 383870440 /nfs/dbraw/zinc/87/04/40/383870440.db2.gz MHIILLWNHFMQGG-GXFFZTMASA-N 1 2 237.347 1.965 20 0 BDADLO c1snnc1C[NH2+]Cc1ccccc1 ZINC000036901814 383921636 /nfs/dbraw/zinc/92/16/36/383921636.db2.gz TWJDEAJACCKSNA-UHFFFAOYSA-N 1 2 205.286 1.828 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000050115310 383922488 /nfs/dbraw/zinc/92/24/88/383922488.db2.gz SYESZXYZNFKQTR-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000050115310 383922494 /nfs/dbraw/zinc/92/24/94/383922494.db2.gz SYESZXYZNFKQTR-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO Cc1ccoc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000293707192 383923926 /nfs/dbraw/zinc/92/39/26/383923926.db2.gz LNXNYNSPBSWXOY-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1ccoc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000293707192 383923934 /nfs/dbraw/zinc/92/39/34/383923934.db2.gz LNXNYNSPBSWXOY-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)cc1 ZINC000112582982 383931045 /nfs/dbraw/zinc/93/10/45/383931045.db2.gz DSCRRZKOBKCTFX-OLZOCXBDSA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)cc1 ZINC000112582982 383931052 /nfs/dbraw/zinc/93/10/52/383931052.db2.gz DSCRRZKOBKCTFX-OLZOCXBDSA-N 1 2 249.310 1.103 20 0 BDADLO C[C@@H](Cn1cncn1)Nc1cc[nH+]c(C2CC2)n1 ZINC000112554252 383931200 /nfs/dbraw/zinc/93/12/00/383931200.db2.gz ZZUOZMZRZKFVPW-VIFPVBQESA-N 1 2 244.302 1.446 20 0 BDADLO CC[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000089104876 383932429 /nfs/dbraw/zinc/93/24/29/383932429.db2.gz SGSPJBXENPZNSX-HNNXBMFYSA-N 1 2 222.313 1.911 20 0 BDADLO CC[C@H](O)[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC000313098242 383883209 /nfs/dbraw/zinc/88/32/09/383883209.db2.gz MTRSHUJNQZNBFR-UWVGGRQHSA-N 1 2 209.293 1.746 20 0 BDADLO C[C@@H](C(=O)N1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000336441102 383886853 /nfs/dbraw/zinc/88/68/53/383886853.db2.gz CWZSJASAMZTFIM-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1ccc(F)cc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088357757 383896541 /nfs/dbraw/zinc/89/65/41/383896541.db2.gz WLVSNPKZGSHUBC-NSHDSACASA-N 1 2 238.262 1.061 20 0 BDADLO Fc1cncc(C[N@H+](C2CC2)C2COC2)c1 ZINC000449352633 383934067 /nfs/dbraw/zinc/93/40/67/383934067.db2.gz XAKRCSMZGKQECQ-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1cncc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000449352633 383934069 /nfs/dbraw/zinc/93/40/69/383934069.db2.gz XAKRCSMZGKQECQ-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH]nc1C)C(F)F ZINC000449362186 383981476 /nfs/dbraw/zinc/98/14/76/383981476.db2.gz MODFKAXYKLIZGR-MRVPVSSYSA-N 1 2 203.236 1.851 20 0 BDADLO FC1(F)COCC[N@H+](CCC2CCOCC2)C1 ZINC000336483169 383985548 /nfs/dbraw/zinc/98/55/48/383985548.db2.gz PMZQUKOHJOTTBG-UHFFFAOYSA-N 1 2 249.301 1.771 20 0 BDADLO FC1(F)COCC[N@@H+](CCC2CCOCC2)C1 ZINC000336483169 383985559 /nfs/dbraw/zinc/98/55/59/383985559.db2.gz PMZQUKOHJOTTBG-UHFFFAOYSA-N 1 2 249.301 1.771 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000407948290 383951669 /nfs/dbraw/zinc/95/16/69/383951669.db2.gz ADKMPKIJABBVPT-NSHDSACASA-N 1 2 225.292 1.379 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000407948290 383951678 /nfs/dbraw/zinc/95/16/78/383951678.db2.gz ADKMPKIJABBVPT-NSHDSACASA-N 1 2 225.292 1.379 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000070651584 383952791 /nfs/dbraw/zinc/95/27/91/383952791.db2.gz HWRBEPCXNRIUJY-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO CS[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000518510021 383966094 /nfs/dbraw/zinc/96/60/94/383966094.db2.gz KXATZOREUXTLCM-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)on1 ZINC000518560247 384009757 /nfs/dbraw/zinc/00/97/57/384009757.db2.gz VZFOVCIAIICLJX-WPRPVWTQSA-N 1 2 238.287 1.222 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)on1 ZINC000518560247 384009763 /nfs/dbraw/zinc/00/97/63/384009763.db2.gz VZFOVCIAIICLJX-WPRPVWTQSA-N 1 2 238.287 1.222 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000049773561 384042975 /nfs/dbraw/zinc/04/29/75/384042975.db2.gz GELSSVRKQOGLPO-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](O)C1 ZINC000049773561 384042980 /nfs/dbraw/zinc/04/29/80/384042980.db2.gz GELSSVRKQOGLPO-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO CCOc1ncccc1NCc1c[nH+]cn1C ZINC000090165730 384031347 /nfs/dbraw/zinc/03/13/47/384031347.db2.gz DHWCWPSZNUNTCD-UHFFFAOYSA-N 1 2 232.287 1.826 20 0 BDADLO CCS[C@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000114336014 384032000 /nfs/dbraw/zinc/03/20/00/384032000.db2.gz GXOGOCMYHIYYOL-JTQLQIEISA-N 1 2 241.360 1.804 20 0 BDADLO CC(C)(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)[nH]n1 ZINC000114340190 384032585 /nfs/dbraw/zinc/03/25/85/384032585.db2.gz SGZQKPRJHBXSOF-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO COc1ncncc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000647217502 384039627 /nfs/dbraw/zinc/03/96/27/384039627.db2.gz UBRUGVCSCUSMRA-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCc1cnccn1 ZINC000402603462 384042005 /nfs/dbraw/zinc/04/20/05/384042005.db2.gz LUAVYHANEMVCKY-GFCCVEGCSA-N 1 2 249.314 1.047 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCc1cnccn1 ZINC000402603462 384042012 /nfs/dbraw/zinc/04/20/12/384042012.db2.gz LUAVYHANEMVCKY-GFCCVEGCSA-N 1 2 249.314 1.047 20 0 BDADLO CN(C)c1ncc(C[NH2+]C(CF)CF)s1 ZINC000449380450 384089848 /nfs/dbraw/zinc/08/98/48/384089848.db2.gz NCNOYUFXBUUSDS-UHFFFAOYSA-N 1 2 235.303 1.606 20 0 BDADLO O=C(CCC1CC1)NCCn1cc[nH+]c1 ZINC000115007304 384065634 /nfs/dbraw/zinc/06/56/34/384065634.db2.gz KTYYVQGIRRTLJA-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000077901433 384073100 /nfs/dbraw/zinc/07/31/00/384073100.db2.gz VNUMLHVWAGFYMG-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000077901433 384073106 /nfs/dbraw/zinc/07/31/06/384073106.db2.gz VNUMLHVWAGFYMG-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO Cn1nccc1CSCCn1cc[nH+]c1 ZINC000091039301 384097462 /nfs/dbraw/zinc/09/74/62/384097462.db2.gz BIKLZRKJCGCJGK-UHFFFAOYSA-N 1 2 222.317 1.550 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185814219 134391036 /nfs/dbraw/zinc/39/10/36/134391036.db2.gz YSNSYROJRFRDOF-ZJUUUORDSA-N 1 2 221.304 1.361 20 0 BDADLO CC(C)(NC(=O)c1ccsn1)c1[nH]cc[nH+]1 ZINC000569492563 384111711 /nfs/dbraw/zinc/11/17/11/384111711.db2.gz FSDTVTGEAGWTLH-UHFFFAOYSA-N 1 2 236.300 1.531 20 0 BDADLO COc1ncccc1C[NH2+][C@@H](C)c1cnccn1 ZINC000070479140 384113898 /nfs/dbraw/zinc/11/38/98/384113898.db2.gz OXRXUDWJGFOGRS-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO O=C(C1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082275696 384092876 /nfs/dbraw/zinc/09/28/76/384092876.db2.gz AHUDUIQMSCTAQF-LLVKDONJSA-N 1 2 219.288 1.457 20 0 BDADLO CC[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000332698802 384124530 /nfs/dbraw/zinc/12/45/30/384124530.db2.gz MUDXLPYHAUVVOM-MRVPVSSYSA-N 1 2 220.276 1.907 20 0 BDADLO C[C@H](CO)SCc1cn2ccccc2[nH+]1 ZINC000079085976 384127496 /nfs/dbraw/zinc/12/74/96/384127496.db2.gz KJSIAPQRZYJTES-SECBINFHSA-N 1 2 222.313 1.948 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000091832670 384147292 /nfs/dbraw/zinc/14/72/92/384147292.db2.gz QHMRFOHLTYJLJE-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000091832670 384147294 /nfs/dbraw/zinc/14/72/94/384147294.db2.gz QHMRFOHLTYJLJE-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccccc1)C1CC1 ZINC000116877006 384156539 /nfs/dbraw/zinc/15/65/39/384156539.db2.gz KQFDSXOJEYCVAC-CYBMUJFWSA-N 1 2 233.311 1.770 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc[nH]n2)C[C@H](C)O1 ZINC000092487679 384182608 /nfs/dbraw/zinc/18/26/08/384182608.db2.gz SDANWAGWDPYHNX-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H](C)O1 ZINC000092487679 384182612 /nfs/dbraw/zinc/18/26/12/384182612.db2.gz SDANWAGWDPYHNX-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cnn(C)c2)[nH+]1 ZINC000628121796 384188295 /nfs/dbraw/zinc/18/82/95/384188295.db2.gz WFUVIWWQUQOLIL-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1ccc(COCCc2cn[nH]n2)c(C)[nH+]1 ZINC000566000157 384188750 /nfs/dbraw/zinc/18/87/50/384188750.db2.gz ALPXFMWOBVYTQO-UHFFFAOYSA-N 1 2 232.287 1.576 20 0 BDADLO O=C1C[N@H+](Cc2ccco2)[C@H]2CCCC[C@@H]2N1 ZINC000092703369 384190733 /nfs/dbraw/zinc/19/07/33/384190733.db2.gz ZSSZETHXUFFWQV-RYUDHWBXSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccco2)[C@H]2CCCC[C@@H]2N1 ZINC000092703369 384190736 /nfs/dbraw/zinc/19/07/36/384190736.db2.gz ZSSZETHXUFFWQV-RYUDHWBXSA-N 1 2 234.299 1.523 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132416541 384231495 /nfs/dbraw/zinc/23/14/95/384231495.db2.gz PEAFJMMFNNBQJX-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132416541 384231500 /nfs/dbraw/zinc/23/15/00/384231500.db2.gz PEAFJMMFNNBQJX-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccn1C ZINC000093441147 384239331 /nfs/dbraw/zinc/23/93/31/384239331.db2.gz VBTYFWTUZSXCFT-GFCCVEGCSA-N 1 2 236.315 1.553 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccn1C ZINC000093441147 384239340 /nfs/dbraw/zinc/23/93/40/384239340.db2.gz VBTYFWTUZSXCFT-GFCCVEGCSA-N 1 2 236.315 1.553 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)o1 ZINC000336598648 384208989 /nfs/dbraw/zinc/20/89/89/384208989.db2.gz YDLQWIJVNWVBNC-SCZZXKLOSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)o1 ZINC000336598648 384208995 /nfs/dbraw/zinc/20/89/95/384208995.db2.gz YDLQWIJVNWVBNC-SCZZXKLOSA-N 1 2 243.257 1.855 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccs1 ZINC000093084405 384210617 /nfs/dbraw/zinc/21/06/17/384210617.db2.gz HBPLWINBEZRYCL-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000093084405 384210619 /nfs/dbraw/zinc/21/06/19/384210619.db2.gz HBPLWINBEZRYCL-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO Cc1cc(NC(=O)N2CCOC[C@H](C)C2)cc[nH+]1 ZINC000336614111 384242739 /nfs/dbraw/zinc/24/27/39/384242739.db2.gz GIPPKOODTFTTRN-SNVBAGLBSA-N 1 2 249.314 1.312 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCN1c1cccc[nH+]1 ZINC000133362659 384244332 /nfs/dbraw/zinc/24/43/32/384244332.db2.gz TYQUEOHYSCIWSJ-MNOVXSKESA-N 1 2 206.289 1.821 20 0 BDADLO COC(=O)[C@]1(C)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000093814080 384274238 /nfs/dbraw/zinc/27/42/38/384274238.db2.gz YJRTYZYQPVJYBT-GFCCVEGCSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000093814080 384274245 /nfs/dbraw/zinc/27/42/45/384274245.db2.gz YJRTYZYQPVJYBT-GFCCVEGCSA-N 1 2 237.303 1.103 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+]Cc2csnn2)o1 ZINC000133290120 384281989 /nfs/dbraw/zinc/28/19/89/384281989.db2.gz IMZYMEMRVHQLDX-SECBINFHSA-N 1 2 239.300 1.263 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000074448623 384287623 /nfs/dbraw/zinc/28/76/23/384287623.db2.gz ZJVOUEDMUWNENC-QMMMGPOBSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000074448623 384287629 /nfs/dbraw/zinc/28/76/29/384287629.db2.gz ZJVOUEDMUWNENC-QMMMGPOBSA-N 1 2 238.718 1.572 20 0 BDADLO O=C1C[N@H+](Cc2ccccn2)[C@H]2CCCC[C@@H]2N1 ZINC000133530121 384298501 /nfs/dbraw/zinc/29/85/01/384298501.db2.gz PHUCNNIVGZVCPU-STQMWFEESA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2ccccn2)[C@H]2CCCC[C@@H]2N1 ZINC000133530121 384298506 /nfs/dbraw/zinc/29/85/06/384298506.db2.gz PHUCNNIVGZVCPU-STQMWFEESA-N 1 2 245.326 1.325 20 0 BDADLO CCC1(CNc2nc(C)[nH+]c(N)n2)CCC1 ZINC000304437290 384299373 /nfs/dbraw/zinc/29/93/73/384299373.db2.gz HHPPELMNEDOHAO-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO CCC1(CNc2nc(N)nc(C)[nH+]2)CCC1 ZINC000304437290 384299378 /nfs/dbraw/zinc/29/93/78/384299378.db2.gz HHPPELMNEDOHAO-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO Cc1nc(N2C[C@@H](C)S[C@H](C)C2)nc(N)[nH+]1 ZINC000304511199 384342968 /nfs/dbraw/zinc/34/29/68/384342968.db2.gz RDQRCIGZASJNPA-RNFRBKRXSA-N 1 2 239.348 1.092 20 0 BDADLO Cc1nc(N)nc(N2C[C@@H](C)S[C@H](C)C2)[nH+]1 ZINC000304511199 384342977 /nfs/dbraw/zinc/34/29/77/384342977.db2.gz RDQRCIGZASJNPA-RNFRBKRXSA-N 1 2 239.348 1.092 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1CC(OC)C1 ZINC000625606573 384348956 /nfs/dbraw/zinc/34/89/56/384348956.db2.gz KXUUFRATWUACMH-UHFFFAOYSA-N 1 2 234.299 1.429 20 0 BDADLO C[NH2+]Cc1noc([C@@H](C)c2ccccc2)n1 ZINC000234449453 384350462 /nfs/dbraw/zinc/35/04/62/384350462.db2.gz PLDFDQGDLWPRRK-VIFPVBQESA-N 1 2 217.272 1.941 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000304523912 384350877 /nfs/dbraw/zinc/35/08/77/384350877.db2.gz SLPAJAFFRAHDIA-YUMQZZPRSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000304523912 384350887 /nfs/dbraw/zinc/35/08/87/384350887.db2.gz SLPAJAFFRAHDIA-YUMQZZPRSA-N 1 2 221.308 1.245 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H](O)C1CCC1 ZINC000556410138 384361642 /nfs/dbraw/zinc/36/16/42/384361642.db2.gz VBAXZZPMQYITJD-LBPRGKRZSA-N 1 2 249.314 1.319 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000159334921 384323203 /nfs/dbraw/zinc/32/32/03/384323203.db2.gz PKRFMCLGYHNEPH-SNVBAGLBSA-N 1 2 208.261 1.325 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000159334921 384323206 /nfs/dbraw/zinc/32/32/06/384323206.db2.gz PKRFMCLGYHNEPH-SNVBAGLBSA-N 1 2 208.261 1.325 20 0 BDADLO CC[C@H](CCO)CNc1[nH+]cnc2c1cnn2C ZINC000094957364 384324558 /nfs/dbraw/zinc/32/45/58/384324558.db2.gz LJHLMGFTXDSXPO-SECBINFHSA-N 1 2 249.318 1.184 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)c1ccco1 ZINC000625742098 384396796 /nfs/dbraw/zinc/39/67/96/384396796.db2.gz IYZPKASQTBQGCM-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccco1 ZINC000625742098 384396801 /nfs/dbraw/zinc/39/68/01/384396801.db2.gz IYZPKASQTBQGCM-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO CC(C)c1nocc1C(=O)NCc1c[nH+]c[nH]1 ZINC000625742022 384397316 /nfs/dbraw/zinc/39/73/16/384397316.db2.gz IJZAFWVOUIOOFA-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)c1nocc1C(=O)NCc1c[nH]c[nH+]1 ZINC000625742022 384397322 /nfs/dbraw/zinc/39/73/22/384397322.db2.gz IJZAFWVOUIOOFA-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000331630830 384398923 /nfs/dbraw/zinc/39/89/23/384398923.db2.gz LGYHQLCJAFKFRJ-NSHDSACASA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@H](O)CC1 ZINC000331630830 384398926 /nfs/dbraw/zinc/39/89/26/384398926.db2.gz LGYHQLCJAFKFRJ-NSHDSACASA-N 1 2 238.335 1.035 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175136662 384399144 /nfs/dbraw/zinc/39/91/44/384399144.db2.gz YNZHWCIBXOLJQT-MRVPVSSYSA-N 1 2 213.281 1.619 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175136662 384399149 /nfs/dbraw/zinc/39/91/49/384399149.db2.gz YNZHWCIBXOLJQT-MRVPVSSYSA-N 1 2 213.281 1.619 20 0 BDADLO Cc1nc(NCCOC2CCCC2)nc(N)[nH+]1 ZINC000302621864 384422500 /nfs/dbraw/zinc/42/25/00/384422500.db2.gz OAADKIPNWPYXQG-UHFFFAOYSA-N 1 2 237.307 1.133 20 0 BDADLO Cc1nc(N)nc(NCCOC2CCCC2)[nH+]1 ZINC000302621864 384422506 /nfs/dbraw/zinc/42/25/06/384422506.db2.gz OAADKIPNWPYXQG-UHFFFAOYSA-N 1 2 237.307 1.133 20 0 BDADLO CC(C)(C)n1cc(C[NH+]2CC(C3CC3)C2)nn1 ZINC000643345405 384379730 /nfs/dbraw/zinc/37/97/30/384379730.db2.gz VLTUSWVKAGIGPV-UHFFFAOYSA-N 1 2 234.347 1.875 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000331615523 384386793 /nfs/dbraw/zinc/38/67/93/384386793.db2.gz JGXLZOPMXNVRCU-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000331615523 384386801 /nfs/dbraw/zinc/38/68/01/384386801.db2.gz JGXLZOPMXNVRCU-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)c1noc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000126781070 384452164 /nfs/dbraw/zinc/45/21/64/384452164.db2.gz KAQHLSPNDBMYHT-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO COc1c(C)c[nH+]c(Cn2cnccc2=O)c1C ZINC000135791941 384464990 /nfs/dbraw/zinc/46/49/90/384464990.db2.gz MTSWKPAYIBUIPM-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO O=C(CC1CC1)NCCCNc1cccc[nH+]1 ZINC000136201766 384484453 /nfs/dbraw/zinc/48/44/53/384484453.db2.gz QHCVGDJHFJOVQR-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CCc1cc(N[C@@H]2CO[C@@H](C)C2)nc[nH+]1 ZINC000402125833 384497323 /nfs/dbraw/zinc/49/73/23/384497323.db2.gz FZQAXUJXKFHJIL-WPRPVWTQSA-N 1 2 207.277 1.628 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CC23CC3)c[nH+]1 ZINC000335034913 384502396 /nfs/dbraw/zinc/50/23/96/384502396.db2.gz PXFHUTIWRJVNGB-MRVPVSSYSA-N 1 2 203.245 1.233 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000568207507 384505364 /nfs/dbraw/zinc/50/53/64/384505364.db2.gz IOSLEYXVFRMKMN-ZJUUUORDSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000568207507 384505369 /nfs/dbraw/zinc/50/53/69/384505369.db2.gz IOSLEYXVFRMKMN-ZJUUUORDSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cnc(C)nc2)cnn1C ZINC000556819241 384506005 /nfs/dbraw/zinc/50/60/05/384506005.db2.gz GXZYOKJBKAMMNG-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cnc(C)nc2)cnn1C ZINC000556819241 384506014 /nfs/dbraw/zinc/50/60/14/384506014.db2.gz GXZYOKJBKAMMNG-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO CC[C@@H]1CN(c2cc(CO)cc[nH+]2)CCCO1 ZINC000305922161 384556010 /nfs/dbraw/zinc/55/60/10/384556010.db2.gz HKXSPVAKOXWPAS-GFCCVEGCSA-N 1 2 236.315 1.579 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151222454 384561823 /nfs/dbraw/zinc/56/18/23/384561823.db2.gz UALNMIMBDVCWOR-KCJUWKMLSA-N 1 2 236.271 1.596 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+](Cc3ccon3)C2)n1 ZINC000172386032 384575837 /nfs/dbraw/zinc/57/58/37/384575837.db2.gz RPZKLUBRIOYROI-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccon3)C2)n1 ZINC000172386032 384575841 /nfs/dbraw/zinc/57/58/41/384575841.db2.gz RPZKLUBRIOYROI-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2CCO)[nH]1 ZINC000408196776 384583971 /nfs/dbraw/zinc/58/39/71/384583971.db2.gz FOCGQJIQXBYVCL-JTQLQIEISA-N 1 2 238.335 1.447 20 0 BDADLO CC(C)c1nnc([C@@H]2CCCC[N@H+]2CCO)[nH]1 ZINC000408196776 384583977 /nfs/dbraw/zinc/58/39/77/384583977.db2.gz FOCGQJIQXBYVCL-JTQLQIEISA-N 1 2 238.335 1.447 20 0 BDADLO CC(C)c1nc(COCc2[nH]cc[nH+]2)no1 ZINC000123827742 384587831 /nfs/dbraw/zinc/58/78/31/384587831.db2.gz PWASGVITZBRUJX-UHFFFAOYSA-N 1 2 222.248 1.633 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000049774117 384565012 /nfs/dbraw/zinc/56/50/12/384565012.db2.gz SXFUSXFMPQVAHK-SECBINFHSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000049774117 384565018 /nfs/dbraw/zinc/56/50/18/384565018.db2.gz SXFUSXFMPQVAHK-SECBINFHSA-N 1 2 243.738 1.278 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000354930669 384567845 /nfs/dbraw/zinc/56/78/45/384567845.db2.gz YVXCLMAGLSQNDN-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NC1CCC1 ZINC000162396788 384614693 /nfs/dbraw/zinc/61/46/93/384614693.db2.gz SJCQBCPNGLWECP-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c(c2)OCCO3)co1 ZINC000171646755 384622134 /nfs/dbraw/zinc/62/21/34/384622134.db2.gz KKTVSSMDXKQHIT-UHFFFAOYSA-N 1 2 246.266 1.736 20 0 BDADLO Cc1nc(N2CCC[C@@H](CO)CC2)cc[nH+]1 ZINC000338840507 384633611 /nfs/dbraw/zinc/63/36/11/384633611.db2.gz GIJGDCPJIKZLSB-LLVKDONJSA-N 1 2 221.304 1.384 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000103148380 384595820 /nfs/dbraw/zinc/59/58/20/384595820.db2.gz FIBNHOFZPCFDJY-ZDUSSCGKSA-N 1 2 249.310 1.369 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000103148380 384595825 /nfs/dbraw/zinc/59/58/25/384595825.db2.gz FIBNHOFZPCFDJY-ZDUSSCGKSA-N 1 2 249.310 1.369 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](CC)Cc1cnn(C)c1 ZINC000173278855 384670324 /nfs/dbraw/zinc/67/03/24/384670324.db2.gz GKAHDLPKGQEDLB-NSHDSACASA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1cnn(C)c1 ZINC000173278855 384670327 /nfs/dbraw/zinc/67/03/27/384670327.db2.gz GKAHDLPKGQEDLB-NSHDSACASA-N 1 2 239.319 1.194 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccncc2)n1 ZINC000309633338 384672970 /nfs/dbraw/zinc/67/29/70/384672970.db2.gz RPJMOIIKZMBNCU-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccncc2)n1 ZINC000309633339 384673925 /nfs/dbraw/zinc/67/39/25/384673925.db2.gz RPJMOIIKZMBNCU-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2c(C)noc2C)CCO1 ZINC000172892285 384636503 /nfs/dbraw/zinc/63/65/03/384636503.db2.gz DSZWRDAGGLDSAD-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2c(C)noc2C)CCO1 ZINC000172892285 384636509 /nfs/dbraw/zinc/63/65/09/384636509.db2.gz DSZWRDAGGLDSAD-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cc(Cl)cs1 ZINC000086332515 384643844 /nfs/dbraw/zinc/64/38/44/384643844.db2.gz WLJOGSBDDZDVIO-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CC)c2)CCO1 ZINC000125522117 384725486 /nfs/dbraw/zinc/72/54/86/384725486.db2.gz FSPZDWSRRUWZTC-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)CCO1 ZINC000125522117 384725494 /nfs/dbraw/zinc/72/54/94/384725494.db2.gz FSPZDWSRRUWZTC-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@H]1C1CC1 ZINC000176537330 384684480 /nfs/dbraw/zinc/68/44/80/384684480.db2.gz GQKFXSUBXOZAIO-MNOVXSKESA-N 1 2 219.288 1.045 20 0 BDADLO c1cncc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000367602350 384685337 /nfs/dbraw/zinc/68/53/37/384685337.db2.gz IVVLKMWRRBYHSH-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000367602350 384685344 /nfs/dbraw/zinc/68/53/44/384685344.db2.gz IVVLKMWRRBYHSH-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ccc(F)cn1 ZINC000309921795 384715950 /nfs/dbraw/zinc/71/59/50/384715950.db2.gz SMBRSBKZBMNYIC-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccc(F)cn1 ZINC000309921795 384715954 /nfs/dbraw/zinc/71/59/54/384715954.db2.gz SMBRSBKZBMNYIC-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO C[C@H]1C[C@H](O)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000334813794 384735586 /nfs/dbraw/zinc/73/55/86/384735586.db2.gz XLPNPYCABOOZAK-QWRGUYRKSA-N 1 2 245.326 1.780 20 0 BDADLO CC(C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000052584962 384736705 /nfs/dbraw/zinc/73/67/05/384736705.db2.gz HDJPOFKASLTDDA-UHFFFAOYSA-N 1 2 247.342 1.382 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1cccnc1 ZINC000173945232 384740655 /nfs/dbraw/zinc/74/06/55/384740655.db2.gz MTOFKDQMJASWRP-LLVKDONJSA-N 1 2 244.298 1.198 20 0 BDADLO CCC(CC)[C@@H](C(=O)OC)[NH+]1CCOCC1 ZINC000176744402 384756889 /nfs/dbraw/zinc/75/68/89/384756889.db2.gz UOGCRXOYHHDNIB-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000360486768 384771877 /nfs/dbraw/zinc/77/18/77/384771877.db2.gz FTGSQNSXLLOCET-SNVBAGLBSA-N 1 2 245.282 1.466 20 0 BDADLO COC[C@H]([NH2+]C1(C(F)F)CC1)C1CC1 ZINC000308578316 384818910 /nfs/dbraw/zinc/81/89/10/384818910.db2.gz FIWXRGCQFDAATA-QMMMGPOBSA-N 1 2 205.248 1.799 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccn1 ZINC000363770937 384822417 /nfs/dbraw/zinc/82/24/17/384822417.db2.gz CPNZKRIOVRRLQT-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccn1 ZINC000363770937 384822431 /nfs/dbraw/zinc/82/24/31/384822431.db2.gz CPNZKRIOVRRLQT-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1nccs1 ZINC000126689662 384824604 /nfs/dbraw/zinc/82/46/04/384824604.db2.gz QKIVPFQOVRIGLV-XLKFXECMSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1nccs1 ZINC000126689662 384824608 /nfs/dbraw/zinc/82/46/08/384824608.db2.gz QKIVPFQOVRIGLV-XLKFXECMSA-N 1 2 232.374 1.342 20 0 BDADLO CCc1cc(N(CCO)C2CC2)nc(C)[nH+]1 ZINC000084082167 384835170 /nfs/dbraw/zinc/83/51/70/384835170.db2.gz MORQJADOWPEXPK-UHFFFAOYSA-N 1 2 221.304 1.309 20 0 BDADLO CC[C@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112078782 384788266 /nfs/dbraw/zinc/78/82/66/384788266.db2.gz ZPCOHLJGJYUJFQ-LBPRGKRZSA-N 1 2 221.304 1.927 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000310026353 384790170 /nfs/dbraw/zinc/79/01/70/384790170.db2.gz PMNOLEZPVOULQX-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H]1[C@H](C)CCN1c1[nH+]cnc2c1cnn2C ZINC000185928169 384791043 /nfs/dbraw/zinc/79/10/43/384791043.db2.gz GGHPLVQZJBWUGG-KOLCDFICSA-N 1 2 245.330 1.988 20 0 BDADLO CCC1CCC([NH2+]CCO)(C(=O)OC)CC1 ZINC000310016719 384796473 /nfs/dbraw/zinc/79/64/73/384796473.db2.gz LEFHLSQUTDBBGF-UHFFFAOYSA-N 1 2 229.320 1.080 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CC1(C)C ZINC000518216112 384807921 /nfs/dbraw/zinc/80/79/21/384807921.db2.gz GGKYZMMGMCJVLR-ZETCQYMHSA-N 1 2 246.318 1.234 20 0 BDADLO CC[N@H+](CCOC)Cc1c(C)nn(C)c1Cl ZINC000042492950 384810113 /nfs/dbraw/zinc/81/01/13/384810113.db2.gz FGFPGYZVODDMLO-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CC[N@@H+](CCOC)Cc1c(C)nn(C)c1Cl ZINC000042492950 384810120 /nfs/dbraw/zinc/81/01/20/384810120.db2.gz FGFPGYZVODDMLO-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccon1 ZINC000336674170 384871836 /nfs/dbraw/zinc/87/18/36/384871836.db2.gz OYGUJGMOKFKJGY-MRVPVSSYSA-N 1 2 218.260 1.333 20 0 BDADLO Cc1c[nH+]c(CNCc2snnc2C)n1C ZINC000309864988 384880090 /nfs/dbraw/zinc/88/00/90/384880090.db2.gz ODMNPPQLYRWEJI-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO C[C@@H]1CN(C(=O)c2nccs2)C[C@H](C)[N@H+]1C ZINC000647395475 384885036 /nfs/dbraw/zinc/88/50/36/384885036.db2.gz HPMHTKBDRLWZHJ-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CN(C(=O)c2nccs2)C[C@H](C)[N@@H+]1C ZINC000647395475 384885041 /nfs/dbraw/zinc/88/50/41/384885041.db2.gz HPMHTKBDRLWZHJ-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1csc(C[NH2+]Cc2ccn(C)n2)n1 ZINC000112340290 384852708 /nfs/dbraw/zinc/85/27/08/384852708.db2.gz KXKCCJSDIKPBDE-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO COC(=O)[C@@H](C)CNc1cc(C)[nH+]cn1 ZINC000301233749 384867525 /nfs/dbraw/zinc/86/75/25/384867525.db2.gz KKBMNGNUJGGVKZ-ZETCQYMHSA-N 1 2 209.249 1.006 20 0 BDADLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@H](F)C1 ZINC000336263174 384891497 /nfs/dbraw/zinc/89/14/97/384891497.db2.gz VWMWUWQEMOFKKJ-WCQYABFASA-N 1 2 248.301 1.984 20 0 BDADLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@H](F)C1 ZINC000336263174 384891500 /nfs/dbraw/zinc/89/15/00/384891500.db2.gz VWMWUWQEMOFKKJ-WCQYABFASA-N 1 2 248.301 1.984 20 0 BDADLO C[C@H](O)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301608303 384901693 /nfs/dbraw/zinc/90/16/93/384901693.db2.gz ZXPNZKFQCHVVNK-VIFPVBQESA-N 1 2 223.320 1.957 20 0 BDADLO C[C@@H](O)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301608301 384901841 /nfs/dbraw/zinc/90/18/41/384901841.db2.gz ZXPNZKFQCHVVNK-SECBINFHSA-N 1 2 223.320 1.957 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)OC2CCC2)C1 ZINC000497242135 384903206 /nfs/dbraw/zinc/90/32/06/384903206.db2.gz FQSXJPRIJZCYLY-SNVBAGLBSA-N 1 2 249.314 1.899 20 0 BDADLO CC(C)(C)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106304734 384909428 /nfs/dbraw/zinc/90/94/28/384909428.db2.gz LRYVTAXOIJYKAC-UHFFFAOYSA-N 1 2 232.327 1.917 20 0 BDADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cscn1 ZINC000127841304 384912349 /nfs/dbraw/zinc/91/23/49/384912349.db2.gz MUDIMZZOFCTMGG-QMMMGPOBSA-N 1 2 248.373 1.228 20 0 BDADLO c1cc(C[NH2+][C@H]2COCc3ccccc32)n[nH]1 ZINC000225994646 384914474 /nfs/dbraw/zinc/91/44/74/384914474.db2.gz KWWRGUIMDBWAMQ-ZDUSSCGKSA-N 1 2 229.283 1.771 20 0 BDADLO COC(=O)c1occc1C[N@H+](C)[C@@H]1CCOC1 ZINC000106881593 384938554 /nfs/dbraw/zinc/93/85/54/384938554.db2.gz QEXQYXUEMUZXLE-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1occc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000106881593 384938555 /nfs/dbraw/zinc/93/85/55/384938555.db2.gz QEXQYXUEMUZXLE-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2C)on1 ZINC000564616703 384969426 /nfs/dbraw/zinc/96/94/26/384969426.db2.gz VDSGUTWQDLCDRR-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2C)on1 ZINC000564616703 384969432 /nfs/dbraw/zinc/96/94/32/384969432.db2.gz VDSGUTWQDLCDRR-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO O=C1NC[C@H]2C[N@H+](Cc3ccccc3F)CCN12 ZINC000175917627 384981977 /nfs/dbraw/zinc/98/19/77/384981977.db2.gz ISUGJPNKDBKBBU-NSHDSACASA-N 1 2 249.289 1.035 20 0 BDADLO O=C1NC[C@H]2C[N@@H+](Cc3ccccc3F)CCN12 ZINC000175917627 384981980 /nfs/dbraw/zinc/98/19/80/384981980.db2.gz ISUGJPNKDBKBBU-NSHDSACASA-N 1 2 249.289 1.035 20 0 BDADLO CCc1cc(NCc2ccc(C)cn2)nc[nH+]1 ZINC000401007767 384991737 /nfs/dbraw/zinc/99/17/37/384991737.db2.gz ZVIVOUHALGTHMS-UHFFFAOYSA-N 1 2 228.299 1.776 20 0 BDADLO Nc1ccc(CNc2ncc(F)cn2)c[nH+]1 ZINC000302834535 385009278 /nfs/dbraw/zinc/00/92/78/385009278.db2.gz UDBVAVVNHKRJHI-UHFFFAOYSA-N 1 2 219.223 1.205 20 0 BDADLO FC(F)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302883527 385013359 /nfs/dbraw/zinc/01/33/59/385013359.db2.gz JNGNZUWYXQVUTK-UHFFFAOYSA-N 1 2 228.246 1.754 20 0 BDADLO FC(F)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302883527 385013365 /nfs/dbraw/zinc/01/33/65/385013365.db2.gz JNGNZUWYXQVUTK-UHFFFAOYSA-N 1 2 228.246 1.754 20 0 BDADLO Cc1cc(N)nc(SCCc2cnccn2)[nH+]1 ZINC000402592111 385017441 /nfs/dbraw/zinc/01/74/41/385017441.db2.gz FSBKJQCREHXRJU-UHFFFAOYSA-N 1 2 247.327 1.322 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(F)(F)F ZINC000360695487 385049258 /nfs/dbraw/zinc/04/92/58/385049258.db2.gz NSLHGARBQDWQHJ-LURJTMIESA-N 1 2 235.209 1.409 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(F)(F)F ZINC000360695487 385049265 /nfs/dbraw/zinc/04/92/65/385049265.db2.gz NSLHGARBQDWQHJ-LURJTMIESA-N 1 2 235.209 1.409 20 0 BDADLO CC1(C(=O)N2CCn3cc[nH+]c3C2)CCCC1 ZINC000336323473 385056231 /nfs/dbraw/zinc/05/62/31/385056231.db2.gz SOMBXWVTIQMRSF-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO CC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)C(=O)OC ZINC000310026355 385058936 /nfs/dbraw/zinc/05/89/36/385058936.db2.gz PMNOLEZPVOULQX-OUAUKWLOSA-N 1 2 229.320 1.485 20 0 BDADLO CS[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000128825205 385072318 /nfs/dbraw/zinc/07/23/18/385072318.db2.gz PQODLXCYAKNWHJ-SSDOTTSWSA-N 1 2 237.332 1.527 20 0 BDADLO CSc1cncc(NCCn2cc[nH+]c2)n1 ZINC000131161934 385075612 /nfs/dbraw/zinc/07/56/12/385075612.db2.gz NRBFQCZNZPIODZ-UHFFFAOYSA-N 1 2 235.316 1.507 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2noc(C)n2)[C@@H](C)C1 ZINC000407948351 385082631 /nfs/dbraw/zinc/08/26/31/385082631.db2.gz FZPDISIICURSSN-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2noc(C)n2)[C@@H](C)C1 ZINC000407948351 385082637 /nfs/dbraw/zinc/08/26/37/385082637.db2.gz FZPDISIICURSSN-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2cncnc2C)[nH]1 ZINC000569355503 385082846 /nfs/dbraw/zinc/08/28/46/385082846.db2.gz PEUQGHUPUJNOGL-QMMMGPOBSA-N 1 2 246.318 1.316 20 0 BDADLO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000647244018 385041456 /nfs/dbraw/zinc/04/14/56/385041456.db2.gz SCWGVJQAYQWXJI-JOYOIKCWSA-N 1 2 225.336 1.605 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccco2)C[C@H](C)O1 ZINC000188370974 385044790 /nfs/dbraw/zinc/04/47/90/385044790.db2.gz ZIZOVRNCHQRVLB-CMPLNLGQSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccco2)C[C@H](C)O1 ZINC000188370974 385044798 /nfs/dbraw/zinc/04/47/98/385044798.db2.gz ZIZOVRNCHQRVLB-CMPLNLGQSA-N 1 2 225.288 1.515 20 0 BDADLO C[C@@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000644691067 385111543 /nfs/dbraw/zinc/11/15/43/385111543.db2.gz MZEAEWDTXKJSPG-SNVBAGLBSA-N 1 2 217.272 1.665 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1ccsc1 ZINC000157231647 385111679 /nfs/dbraw/zinc/11/16/79/385111679.db2.gz FFSGCPHSAGTYEV-UHFFFAOYSA-N 1 2 236.300 1.766 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CCC[C@@H]2O)c1Cl ZINC000236392535 385117572 /nfs/dbraw/zinc/11/75/72/385117572.db2.gz ZTOASEQNQSAUBX-RQJHMYQMSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CCC[C@@H]2O)c1Cl ZINC000236392535 385117576 /nfs/dbraw/zinc/11/75/76/385117576.db2.gz ZTOASEQNQSAUBX-RQJHMYQMSA-N 1 2 242.710 1.285 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000088619509 385128744 /nfs/dbraw/zinc/12/87/44/385128744.db2.gz VIMWABCYGPACJJ-NSHDSACASA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000088619509 385128748 /nfs/dbraw/zinc/12/87/48/385128748.db2.gz VIMWABCYGPACJJ-NSHDSACASA-N 1 2 238.335 1.063 20 0 BDADLO CO[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000312998295 385096299 /nfs/dbraw/zinc/09/62/99/385096299.db2.gz RFCSLLAUTMVPGC-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000312998295 385096306 /nfs/dbraw/zinc/09/63/06/385096306.db2.gz RFCSLLAUTMVPGC-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc2ccccn2c1 ZINC000530819386 385100696 /nfs/dbraw/zinc/10/06/96/385100696.db2.gz YTGWMVZQCBQONM-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1cccs1 ZINC000151335446 385103636 /nfs/dbraw/zinc/10/36/36/385103636.db2.gz SLKLDBWWJAHCGM-JTQLQIEISA-N 1 2 249.339 1.865 20 0 BDADLO CC[C@@H](C)C[S@](=O)Cc1[nH+]ccn1C ZINC000129335374 385141139 /nfs/dbraw/zinc/14/11/39/385141139.db2.gz FZLKANNJJBWIBK-YMTOWFKASA-N 1 2 214.334 1.715 20 0 BDADLO COC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000407950119 385106754 /nfs/dbraw/zinc/10/67/54/385106754.db2.gz WOZJUTHKNJETEI-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000292071374 385195809 /nfs/dbraw/zinc/19/58/09/385195809.db2.gz SUMXVGQMPFPNOV-PHIMTYICSA-N 1 2 248.330 1.218 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647056993 385197615 /nfs/dbraw/zinc/19/76/15/385197615.db2.gz FWQMYUZNVILOAY-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CCOC1)c1[nH]cc[nH+]1 ZINC000516663192 385147596 /nfs/dbraw/zinc/14/75/96/385147596.db2.gz HFRMDMBAAMNYAA-KCJUWKMLSA-N 1 2 223.276 1.014 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000336357866 385153586 /nfs/dbraw/zinc/15/35/86/385153586.db2.gz OFABGNFSKLSWRI-DGCLKSJQSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000336357866 385153589 /nfs/dbraw/zinc/15/35/89/385153589.db2.gz OFABGNFSKLSWRI-DGCLKSJQSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1ccc(NC(=O)N(CCO)C2CC2)c(C)[nH+]1 ZINC000152153924 385158469 /nfs/dbraw/zinc/15/84/69/385158469.db2.gz YUPIWSDTTZQCIW-UHFFFAOYSA-N 1 2 249.314 1.687 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000178021445 385171549 /nfs/dbraw/zinc/17/15/49/385171549.db2.gz SFMPWZIZPXKTOS-LBPRGKRZSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000178021445 385171556 /nfs/dbraw/zinc/17/15/56/385171556.db2.gz SFMPWZIZPXKTOS-LBPRGKRZSA-N 1 2 239.319 1.324 20 0 BDADLO Cc1ccc(NC(=O)NC[C@@H]2CCCO2)c(C)[nH+]1 ZINC000152307249 385172800 /nfs/dbraw/zinc/17/28/00/385172800.db2.gz YBZZIRHBALGRCI-NSHDSACASA-N 1 2 249.314 1.999 20 0 BDADLO CCc1cc(N)nc(SCC(OC)OC)[nH+]1 ZINC000279835894 385210980 /nfs/dbraw/zinc/21/09/80/385210980.db2.gz CJTBPJQAFWYCRC-UHFFFAOYSA-N 1 2 243.332 1.332 20 0 BDADLO NC(=O)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110113692 385211346 /nfs/dbraw/zinc/21/13/46/385211346.db2.gz SCBZVEBFIXKNSV-SNVBAGLBSA-N 1 2 246.314 1.056 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000644786191 385220130 /nfs/dbraw/zinc/22/01/30/385220130.db2.gz KCAXCBCHPZZGHH-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000644786191 385220131 /nfs/dbraw/zinc/22/01/31/385220131.db2.gz KCAXCBCHPZZGHH-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CCOCCOCCN(C)c1cc[nH+]c(C)n1 ZINC000190262173 385226348 /nfs/dbraw/zinc/22/63/48/385226348.db2.gz XTVFWRLCXYTJJG-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO C[C@H](CNC(=O)c1ccc[nH]1)Cn1cc[nH+]c1 ZINC000153382839 385251844 /nfs/dbraw/zinc/25/18/44/385251844.db2.gz HYGVVVUURNSUPX-SNVBAGLBSA-N 1 2 232.287 1.277 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2csnn2)CC1 ZINC000308825558 385203515 /nfs/dbraw/zinc/20/35/15/385203515.db2.gz SAMHMNWSVVRNHS-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2csnn2)CC1 ZINC000308825558 385203521 /nfs/dbraw/zinc/20/35/21/385203521.db2.gz SAMHMNWSVVRNHS-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnccn2)on1 ZINC000177234109 385204024 /nfs/dbraw/zinc/20/40/24/385204024.db2.gz YOZYUONCUMVXEB-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnccn2)on1 ZINC000177234109 385204030 /nfs/dbraw/zinc/20/40/30/385204030.db2.gz YOZYUONCUMVXEB-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](Cc1ccncc1)C1CCC1 ZINC000191649932 385313000 /nfs/dbraw/zinc/31/30/00/385313000.db2.gz RYHPHYYNWZSCGW-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccncc1)C1CCC1 ZINC000191649932 385313002 /nfs/dbraw/zinc/31/30/02/385313002.db2.gz RYHPHYYNWZSCGW-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO COC(=O)[C@H](C)[N@H+](Cc1ccncc1)C1CCC1 ZINC000191649918 385313076 /nfs/dbraw/zinc/31/30/76/385313076.db2.gz RYHPHYYNWZSCGW-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](Cc1ccncc1)C1CCC1 ZINC000191649918 385313080 /nfs/dbraw/zinc/31/30/80/385313080.db2.gz RYHPHYYNWZSCGW-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cncs1 ZINC000131196905 385317265 /nfs/dbraw/zinc/31/72/65/385317265.db2.gz UPWSRERKIZSABB-CLAHSXSESA-N 1 2 232.374 1.342 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cncs1 ZINC000131196905 385317271 /nfs/dbraw/zinc/31/72/71/385317271.db2.gz UPWSRERKIZSABB-CLAHSXSESA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000131223207 385318673 /nfs/dbraw/zinc/31/86/73/385318673.db2.gz VFQPPSLXTZNARJ-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000131223207 385318678 /nfs/dbraw/zinc/31/86/78/385318678.db2.gz VFQPPSLXTZNARJ-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccc(F)c1F ZINC000191728100 385319805 /nfs/dbraw/zinc/31/98/05/385319805.db2.gz XCFQHADAGRNLJM-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccc(F)c1F ZINC000191728100 385319810 /nfs/dbraw/zinc/31/98/10/385319810.db2.gz XCFQHADAGRNLJM-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(C)o1 ZINC000177568423 385260206 /nfs/dbraw/zinc/26/02/06/385260206.db2.gz LMAJXHBWOVOCTK-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)no1 ZINC000153511734 385260597 /nfs/dbraw/zinc/26/05/97/385260597.db2.gz HBURCBDRJCWCJM-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO CC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000370909776 385261199 /nfs/dbraw/zinc/26/11/99/385261199.db2.gz VUIMZKYEZQLILX-LLVKDONJSA-N 1 2 223.272 1.632 20 0 BDADLO CC(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000370909776 385261206 /nfs/dbraw/zinc/26/12/06/385261206.db2.gz VUIMZKYEZQLILX-LLVKDONJSA-N 1 2 223.272 1.632 20 0 BDADLO COC[C@@H]([NH2+]Cc1cncn1C)c1ccc(C)o1 ZINC000177567923 385261705 /nfs/dbraw/zinc/26/17/05/385261705.db2.gz LMGVNSPNJBBBMI-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO CC1(C)COC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000313051553 385264846 /nfs/dbraw/zinc/26/48/46/385264846.db2.gz DVOVRLKLRAYJQL-ZCFIWIBFSA-N 1 2 242.710 1.549 20 0 BDADLO CC1(C)COC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000313051553 385264852 /nfs/dbraw/zinc/26/48/52/385264852.db2.gz DVOVRLKLRAYJQL-ZCFIWIBFSA-N 1 2 242.710 1.549 20 0 BDADLO CC1(C)COC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000313051551 385265399 /nfs/dbraw/zinc/26/53/99/385265399.db2.gz DVOVRLKLRAYJQL-LURJTMIESA-N 1 2 242.710 1.549 20 0 BDADLO CC1(C)COC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000313051551 385265400 /nfs/dbraw/zinc/26/54/00/385265400.db2.gz DVOVRLKLRAYJQL-LURJTMIESA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H](CNC(=O)c1ccncc1)Cn1cc[nH+]c1 ZINC000153759653 385279790 /nfs/dbraw/zinc/27/97/90/385279790.db2.gz GZQQWKVAWMMPRN-NSHDSACASA-N 1 2 244.298 1.344 20 0 BDADLO COC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000308909984 385285428 /nfs/dbraw/zinc/28/54/28/385285428.db2.gz DMCASSXYNGKJGX-SSDOTTSWSA-N 1 2 227.226 1.726 20 0 BDADLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC000647312012 385294918 /nfs/dbraw/zinc/29/49/18/385294918.db2.gz FPILGLUFFSMBKY-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO Fc1cc2[nH+]cn(CCn3cncn3)c2cc1F ZINC000311063170 385299179 /nfs/dbraw/zinc/29/91/79/385299179.db2.gz XMYBIRIXXQZDGU-UHFFFAOYSA-N 1 2 249.224 1.606 20 0 BDADLO CCO[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)C ZINC000625449881 385301765 /nfs/dbraw/zinc/30/17/65/385301765.db2.gz DMRKRLDJVRRBEM-NSHDSACASA-N 1 2 239.319 1.130 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1cocn1 ZINC000191947840 385336214 /nfs/dbraw/zinc/33/62/14/385336214.db2.gz JIFCDMBLKGDPFY-UHFFFAOYSA-N 1 2 210.277 1.533 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1cocn1 ZINC000191947840 385336218 /nfs/dbraw/zinc/33/62/18/385336218.db2.gz JIFCDMBLKGDPFY-UHFFFAOYSA-N 1 2 210.277 1.533 20 0 BDADLO CCCC[N@H+](CCOC)Cc1nnc(C)n1C ZINC000109334153 385340691 /nfs/dbraw/zinc/34/06/91/385340691.db2.gz LOZAXJKLUGLTCB-UHFFFAOYSA-N 1 2 240.351 1.372 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1nnc(C)n1C ZINC000109334153 385340692 /nfs/dbraw/zinc/34/06/92/385340692.db2.gz LOZAXJKLUGLTCB-UHFFFAOYSA-N 1 2 240.351 1.372 20 0 BDADLO Nc1[nH+]cnc(N2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC000227849545 385344440 /nfs/dbraw/zinc/34/44/40/385344440.db2.gz ZYYTYTLNUCJDPM-YUMQZZPRSA-N 1 2 238.722 1.949 20 0 BDADLO Nc1nc[nH+]c(N2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC000227849545 385344444 /nfs/dbraw/zinc/34/44/44/385344444.db2.gz ZYYTYTLNUCJDPM-YUMQZZPRSA-N 1 2 238.722 1.949 20 0 BDADLO CCC[C@@](C)(NCCn1cc[nH+]c1)C(=O)OC ZINC000131632745 385350028 /nfs/dbraw/zinc/35/00/28/385350028.db2.gz KUYHNOLZUPROFH-GFCCVEGCSA-N 1 2 239.319 1.205 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)C ZINC000154729864 385351586 /nfs/dbraw/zinc/35/15/86/385351586.db2.gz CHDNUYLLRWZZJU-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO Cc1nc(NCC2(CC(C)C)CC2)nc(N)[nH+]1 ZINC000392051096 385352623 /nfs/dbraw/zinc/35/26/23/385352623.db2.gz RKHZKZKBRLWJSH-UHFFFAOYSA-N 1 2 235.335 1.253 20 0 BDADLO Cc1nc(N)nc(NCC2(CC(C)C)CC2)[nH+]1 ZINC000392051096 385352631 /nfs/dbraw/zinc/35/26/31/385352631.db2.gz RKHZKZKBRLWJSH-UHFFFAOYSA-N 1 2 235.335 1.253 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CC12CC2 ZINC000644794128 385360518 /nfs/dbraw/zinc/36/05/18/385360518.db2.gz UNEWBMSQHKNHCU-JTQLQIEISA-N 1 2 219.288 1.332 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)c1nccs1)C(=O)OC ZINC000192864122 385374544 /nfs/dbraw/zinc/37/45/44/385374544.db2.gz YGUJPAYIXAXJNG-IUCAKERBSA-N 1 2 242.344 1.788 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cncs1 ZINC000155098598 385375437 /nfs/dbraw/zinc/37/54/37/385375437.db2.gz FWBXOAKAGLRQHS-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cncs1 ZINC000155098598 385375441 /nfs/dbraw/zinc/37/54/41/385375441.db2.gz FWBXOAKAGLRQHS-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCOC1 ZINC000179858948 385381909 /nfs/dbraw/zinc/38/19/09/385381909.db2.gz PGYTXXREJMFTCX-VIFPVBQESA-N 1 2 221.260 1.300 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@H](O)Cn1cccn1 ZINC000178558452 385391022 /nfs/dbraw/zinc/39/10/22/385391022.db2.gz KNAOUOQMHJLTCQ-JTQLQIEISA-N 1 2 247.289 1.220 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@H](O)Cn1cccn1 ZINC000178558452 385391025 /nfs/dbraw/zinc/39/10/25/385391025.db2.gz KNAOUOQMHJLTCQ-JTQLQIEISA-N 1 2 247.289 1.220 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000644041534 385396155 /nfs/dbraw/zinc/39/61/55/385396155.db2.gz RSSDKSBWLBFOFX-WCBMZHEXSA-N 1 2 241.360 1.790 20 0 BDADLO CCOCC[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000180970122 385401135 /nfs/dbraw/zinc/40/11/35/385401135.db2.gz JMSRHSRHXRDFJI-NSHDSACASA-N 1 2 231.336 1.590 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(CO)o1 ZINC000169057556 385403198 /nfs/dbraw/zinc/40/31/98/385403198.db2.gz JLFKEASMCIRGKV-QWRGUYRKSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(CO)o1 ZINC000169057556 385403202 /nfs/dbraw/zinc/40/32/02/385403202.db2.gz JLFKEASMCIRGKV-QWRGUYRKSA-N 1 2 239.315 1.771 20 0 BDADLO c1nn2ccccc2c1C[NH+]1CCOCC1 ZINC000178843470 385420836 /nfs/dbraw/zinc/42/08/36/385420836.db2.gz MPOKHGGUJLPOBB-UHFFFAOYSA-N 1 2 217.272 1.167 20 0 BDADLO O=C1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CCN1 ZINC000178883060 385422644 /nfs/dbraw/zinc/42/26/44/385422644.db2.gz RGOSYSZZJBILMA-CYBMUJFWSA-N 1 2 248.301 1.635 20 0 BDADLO O=C1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CCN1 ZINC000178883060 385422647 /nfs/dbraw/zinc/42/26/47/385422647.db2.gz RGOSYSZZJBILMA-CYBMUJFWSA-N 1 2 248.301 1.635 20 0 BDADLO CN(C)c1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000179097401 385441466 /nfs/dbraw/zinc/44/14/66/385441466.db2.gz VGDQFUFAVTVUNF-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000179097401 385441471 /nfs/dbraw/zinc/44/14/71/385441471.db2.gz VGDQFUFAVTVUNF-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000170866973 385450861 /nfs/dbraw/zinc/45/08/61/385450861.db2.gz XINIFUSIINFCDG-UHFFFAOYSA-N 1 2 203.245 1.426 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000194951372 385452805 /nfs/dbraw/zinc/45/28/05/385452805.db2.gz KCMHNYJTSNIDQB-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000194951372 385452809 /nfs/dbraw/zinc/45/28/09/385452809.db2.gz KCMHNYJTSNIDQB-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000170915679 385455962 /nfs/dbraw/zinc/45/59/62/385455962.db2.gz QPRZBHAFXRWJCH-UHFFFAOYSA-N 1 2 239.271 1.006 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000170915679 385455965 /nfs/dbraw/zinc/45/59/65/385455965.db2.gz QPRZBHAFXRWJCH-UHFFFAOYSA-N 1 2 239.271 1.006 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC2(CC2)C1 ZINC000492865114 385456343 /nfs/dbraw/zinc/45/63/43/385456343.db2.gz OIZCWXZFWRIKKN-UPHRSURJSA-N 1 2 247.298 1.062 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1cccnc1 ZINC000309121480 385427397 /nfs/dbraw/zinc/42/73/97/385427397.db2.gz NZWIOSVUSNRYCR-QMMMGPOBSA-N 1 2 203.249 1.051 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)cc1 ZINC000194426316 385434844 /nfs/dbraw/zinc/43/48/44/385434844.db2.gz RPPKSIXVTGZQMW-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CCC[C@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194450190 385434917 /nfs/dbraw/zinc/43/49/17/385434917.db2.gz HYUDVCDRJRZZTE-JTQLQIEISA-N 1 2 223.324 1.365 20 0 BDADLO CCC[C@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194450190 385434923 /nfs/dbraw/zinc/43/49/23/385434923.db2.gz HYUDVCDRJRZZTE-JTQLQIEISA-N 1 2 223.324 1.365 20 0 BDADLO CC(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000156116564 385436154 /nfs/dbraw/zinc/43/61/54/385436154.db2.gz IZOWLFMEMBFCKN-LBPRGKRZSA-N 1 2 237.299 1.940 20 0 BDADLO CC(=O)CC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000156116564 385436156 /nfs/dbraw/zinc/43/61/56/385436156.db2.gz IZOWLFMEMBFCKN-LBPRGKRZSA-N 1 2 237.299 1.940 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000157501884 385506215 /nfs/dbraw/zinc/50/62/15/385506215.db2.gz LFFJKQHZKZVSEN-WCQYABFASA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccncc1 ZINC000157501884 385506218 /nfs/dbraw/zinc/50/62/18/385506218.db2.gz LFFJKQHZKZVSEN-WCQYABFASA-N 1 2 236.315 1.053 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C/[C@@H]1CCOC1 ZINC000493072738 385511167 /nfs/dbraw/zinc/51/11/67/385511167.db2.gz RCVUCLJXUUYVHG-PGLGOXFNSA-N 1 2 249.314 1.112 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1ncc(C)s1 ZINC000157700255 385517288 /nfs/dbraw/zinc/51/72/88/385517288.db2.gz XHUOICUTUGONQY-VIFPVBQESA-N 1 2 242.344 1.487 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1ncc(C)s1 ZINC000157700255 385517292 /nfs/dbraw/zinc/51/72/92/385517292.db2.gz XHUOICUTUGONQY-VIFPVBQESA-N 1 2 242.344 1.487 20 0 BDADLO Cc1c[nH]nc1CNc1ccc(CO)c[nH+]1 ZINC000291464992 385532119 /nfs/dbraw/zinc/53/21/19/385532119.db2.gz DKRAVQSCHHGCIH-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO CCCc1noc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000172436387 385534652 /nfs/dbraw/zinc/53/46/52/385534652.db2.gz MEULBKMPTVRLJH-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1noc(C[N@H+]2CCSC[C@H]2C)n1 ZINC000172436387 385534658 /nfs/dbraw/zinc/53/46/58/385534658.db2.gz MEULBKMPTVRLJH-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](CO)C(C)(C)C)no1 ZINC000180630987 385535104 /nfs/dbraw/zinc/53/51/04/385535104.db2.gz YKOYQBFNWLHYMQ-SECBINFHSA-N 1 2 241.335 1.690 20 0 BDADLO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000309363242 385548827 /nfs/dbraw/zinc/54/88/27/385548827.db2.gz PBYGJQIPEPBBBM-NSHDSACASA-N 1 2 225.336 1.687 20 0 BDADLO CC(C)[C@@H](Nc1nccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000296884610 385540361 /nfs/dbraw/zinc/54/03/61/385540361.db2.gz XJSPNLLEYRLMER-SNVBAGLBSA-N 1 2 242.286 1.881 20 0 BDADLO Cc1nsc(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000364905962 385540782 /nfs/dbraw/zinc/54/07/82/385540782.db2.gz RJJOTNZQBNYMSL-UHFFFAOYSA-N 1 2 249.343 1.954 20 0 BDADLO Cc1nsc(N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000364905962 385540787 /nfs/dbraw/zinc/54/07/87/385540787.db2.gz RJJOTNZQBNYMSL-UHFFFAOYSA-N 1 2 249.343 1.954 20 0 BDADLO Cn1c[nH+]cc1CN1CCOCC12CCCC2 ZINC000334366983 385541024 /nfs/dbraw/zinc/54/10/24/385541024.db2.gz JTKUDPXVRFUALA-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO COC(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000082254827 385547325 /nfs/dbraw/zinc/54/73/25/385547325.db2.gz BEQNWGDVJQGTMN-NSHDSACASA-N 1 2 249.314 1.527 20 0 BDADLO COC[C@@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000180788368 385547983 /nfs/dbraw/zinc/54/79/83/385547983.db2.gz IGCARTADRMJETN-GFCCVEGCSA-N 1 2 248.282 1.258 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ncn(C)n1 ZINC000282200509 385520844 /nfs/dbraw/zinc/52/08/44/385520844.db2.gz GTJKBFZUGCWPCW-UWVGGRQHSA-N 1 2 246.314 1.933 20 0 BDADLO Cc1cc(N2CCO[C@@H]3CCC[C@@H]32)nc[nH+]1 ZINC000362373175 385523104 /nfs/dbraw/zinc/52/31/04/385523104.db2.gz HNOZRTSGSLROGA-WDEREUQCSA-N 1 2 219.288 1.543 20 0 BDADLO C[C@H](C(N)=O)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180497291 385524952 /nfs/dbraw/zinc/52/49/52/385524952.db2.gz WPCUPBUPKMWCDJ-ZCFIWIBFSA-N 1 2 246.232 1.410 20 0 BDADLO C[C@H](C(N)=O)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180497291 385524954 /nfs/dbraw/zinc/52/49/54/385524954.db2.gz WPCUPBUPKMWCDJ-ZCFIWIBFSA-N 1 2 246.232 1.410 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493122807 385526988 /nfs/dbraw/zinc/52/69/88/385526988.db2.gz UFKUMMQHPSXNBJ-NBYFHADBSA-N 1 2 235.287 1.107 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1CCCC1 ZINC000082257843 385550736 /nfs/dbraw/zinc/55/07/36/385550736.db2.gz OFMJASIODVAVFZ-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC=C(F)C1 ZINC000364963811 385552052 /nfs/dbraw/zinc/55/20/52/385552052.db2.gz UMXZIOJIZVKFTG-JTQLQIEISA-N 1 2 249.289 1.531 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/C(C)(C)C ZINC000493305461 385561463 /nfs/dbraw/zinc/56/14/63/385561463.db2.gz SIFKAWDFTIGYLS-QRGHLMKCSA-N 1 2 235.331 1.990 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccnn1C ZINC000107284842 385562203 /nfs/dbraw/zinc/56/22/03/385562203.db2.gz DSTKKZINFFFSKA-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N(C)CC(F)(F)F ZINC000434699276 385606234 /nfs/dbraw/zinc/60/62/34/385606234.db2.gz JKBBLCMEQAMERV-SECBINFHSA-N 1 2 240.269 1.201 20 0 BDADLO CC(C)c1occc1C(=O)N1CC[NH+](C)CC1 ZINC000280795990 385603613 /nfs/dbraw/zinc/60/36/13/385603613.db2.gz LNLTXIQTKMHPNO-UHFFFAOYSA-N 1 2 236.315 1.791 20 0 BDADLO COC(=O)N1CC([NH2+][C@H](C)c2nccs2)C1 ZINC000181467489 385579976 /nfs/dbraw/zinc/57/99/76/385579976.db2.gz BBXGJJOLAGGLQN-SSDOTTSWSA-N 1 2 241.316 1.244 20 0 BDADLO CC[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000336650703 385620335 /nfs/dbraw/zinc/62/03/35/385620335.db2.gz DVOAGDHFLNLFDW-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000336650703 385620338 /nfs/dbraw/zinc/62/03/38/385620338.db2.gz DVOAGDHFLNLFDW-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1ccncc1 ZINC000054459188 385630163 /nfs/dbraw/zinc/63/01/63/385630163.db2.gz PJPOPLBPLQOUPZ-JTQLQIEISA-N 1 2 214.272 1.722 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000336677829 385612000 /nfs/dbraw/zinc/61/20/00/385612000.db2.gz CBQHUTPQIXMTFR-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@H](CO)N(C)c1[nH+]c2ccccc2n1C ZINC000293584304 385664186 /nfs/dbraw/zinc/66/41/86/385664186.db2.gz AVMZPBDGXRGOHF-SNVBAGLBSA-N 1 2 233.315 1.780 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC(C)(C)C2)c[nH+]1 ZINC000270061915 385665743 /nfs/dbraw/zinc/66/57/43/385665743.db2.gz KGIMQQPYMHYKPK-SECBINFHSA-N 1 2 237.303 1.406 20 0 BDADLO O=c1cc2c(n[nH]1)CCN(c1cccc[nH+]1)C2 ZINC000355741708 385665865 /nfs/dbraw/zinc/66/58/65/385665865.db2.gz LEJSBQVWRRKNPN-UHFFFAOYSA-N 1 2 228.255 1.140 20 0 BDADLO CSCCC[N@H+](C)Cc1cn[nH]c1C ZINC000281333299 385658693 /nfs/dbraw/zinc/65/86/93/385658693.db2.gz SBEZSMSSOUGZPW-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO CSCCC[N@@H+](C)Cc1cn[nH]c1C ZINC000281333299 385658696 /nfs/dbraw/zinc/65/86/96/385658696.db2.gz SBEZSMSSOUGZPW-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO CC(C)CCOCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337444136 385662905 /nfs/dbraw/zinc/66/29/05/385662905.db2.gz HNQFGOVMQVHUFR-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337444136 385662910 /nfs/dbraw/zinc/66/29/10/385662910.db2.gz HNQFGOVMQVHUFR-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CO[C@](C)(CNc1ccc(CO)c[nH+]1)C1CC1 ZINC000647912916 385672674 /nfs/dbraw/zinc/67/26/74/385672674.db2.gz CAEYYNXRAMVMLL-CYBMUJFWSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCOC1 ZINC000270132721 385676278 /nfs/dbraw/zinc/67/62/78/385676278.db2.gz OCGMKPZQYWPKKL-ZDUSSCGKSA-N 1 2 245.282 1.243 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]CC(F)(F)CO)C1(C)C ZINC000184695576 385690829 /nfs/dbraw/zinc/69/08/29/385690829.db2.gz CUXMBYPYRGBUKL-IUCAKERBSA-N 1 2 237.290 1.407 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOCC(C)C)n1 ZINC000336686176 385696002 /nfs/dbraw/zinc/69/60/02/385696002.db2.gz UOQJPQWUQBNOLL-VIFPVBQESA-N 1 2 227.308 1.701 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000270320038 385696880 /nfs/dbraw/zinc/69/68/80/385696880.db2.gz XSBDPUGQOOQHAE-CYBMUJFWSA-N 1 2 249.289 1.546 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](C)CN1CCCCC1 ZINC000336687650 385706052 /nfs/dbraw/zinc/70/60/52/385706052.db2.gz FQOCDIGAMRZNOH-LBPRGKRZSA-N 1 2 236.363 1.682 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000408457629 385708114 /nfs/dbraw/zinc/70/81/14/385708114.db2.gz PTRKVAZLAKNYDU-BDAKNGLRSA-N 1 2 241.314 1.113 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000408457629 385708118 /nfs/dbraw/zinc/70/81/18/385708118.db2.gz PTRKVAZLAKNYDU-BDAKNGLRSA-N 1 2 241.314 1.113 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000281885355 385712440 /nfs/dbraw/zinc/71/24/40/385712440.db2.gz XQJOWJCHXOJZNB-ZDUSSCGKSA-N 1 2 236.315 1.016 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000281885355 385712445 /nfs/dbraw/zinc/71/24/45/385712445.db2.gz XQJOWJCHXOJZNB-ZDUSSCGKSA-N 1 2 236.315 1.016 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC000270508158 385715178 /nfs/dbraw/zinc/71/51/78/385715178.db2.gz WCTKHHXGBUSALE-CMPLNLGQSA-N 1 2 247.342 1.870 20 0 BDADLO C[N@H+](CCCO)Cc1ncnn1-c1ccccc1 ZINC000281931760 385715924 /nfs/dbraw/zinc/71/59/24/385715924.db2.gz SMSWDZQZTQEVOY-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO C[N@@H+](CCCO)Cc1ncnn1-c1ccccc1 ZINC000281931760 385715930 /nfs/dbraw/zinc/71/59/30/385715930.db2.gz SMSWDZQZTQEVOY-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CS(=O)(=O)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000337459868 385670619 /nfs/dbraw/zinc/67/06/19/385670619.db2.gz OVPGCDQJXXKZRJ-ZETCQYMHSA-N 1 2 245.266 1.058 20 0 BDADLO CS(=O)(=O)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000337459868 385670623 /nfs/dbraw/zinc/67/06/23/385670623.db2.gz OVPGCDQJXXKZRJ-ZETCQYMHSA-N 1 2 245.266 1.058 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000259937006 385788208 /nfs/dbraw/zinc/78/82/08/385788208.db2.gz KORJTRMPTIFZML-JTQLQIEISA-N 1 2 237.299 1.861 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000259937006 385788212 /nfs/dbraw/zinc/78/82/12/385788212.db2.gz KORJTRMPTIFZML-JTQLQIEISA-N 1 2 237.299 1.861 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@H](O)C(F)(F)F ZINC000270777683 385742890 /nfs/dbraw/zinc/74/28/90/385742890.db2.gz INKWDQXHBZCFAS-CBAPKCEASA-N 1 2 249.236 1.899 20 0 BDADLO CC(C)n1cc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000061683511 385745441 /nfs/dbraw/zinc/74/54/41/385745441.db2.gz HUVWYOKIZWKEBS-VIFPVBQESA-N 1 2 240.332 1.065 20 0 BDADLO Cc1ccc(NC(=O)N(C)CCCO)c(C)[nH+]1 ZINC000282276802 385747520 /nfs/dbraw/zinc/74/75/20/385747520.db2.gz PUMLIFROYCTMRP-UHFFFAOYSA-N 1 2 237.303 1.545 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CC1 ZINC000309633600 385758175 /nfs/dbraw/zinc/75/81/75/385758175.db2.gz IQOLWUOGNMBFEV-SVRRBLITSA-N 1 2 239.237 1.726 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC[C@H](C)O ZINC000270992447 385766722 /nfs/dbraw/zinc/76/67/22/385766722.db2.gz BYQBFQHUYBXIFN-VIFPVBQESA-N 1 2 223.276 1.282 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCSC1 ZINC000230919772 385767043 /nfs/dbraw/zinc/76/70/43/385767043.db2.gz IJNMPDJHCNDOLZ-ZETCQYMHSA-N 1 2 235.316 1.281 20 0 BDADLO COC[C@@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000270982386 385768153 /nfs/dbraw/zinc/76/81/53/385768153.db2.gz ADNAERFGSZCWNX-LLVKDONJSA-N 1 2 249.314 1.890 20 0 BDADLO COC[C@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000270982392 385768347 /nfs/dbraw/zinc/76/83/47/385768347.db2.gz ADNAERFGSZCWNX-NSHDSACASA-N 1 2 249.314 1.890 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccn(C)n1 ZINC000271003266 385770150 /nfs/dbraw/zinc/77/01/50/385770150.db2.gz MBKMAMTTZLUQBL-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccn(C)n1 ZINC000271003266 385770155 /nfs/dbraw/zinc/77/01/55/385770155.db2.gz MBKMAMTTZLUQBL-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000282539857 385770606 /nfs/dbraw/zinc/77/06/06/385770606.db2.gz QXLITPGUKFUVQW-VAOFZXAKSA-N 1 2 237.303 1.148 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000336739857 385787526 /nfs/dbraw/zinc/78/75/26/385787526.db2.gz SVEVTRWRCXLDJY-UWVGGRQHSA-N 1 2 231.361 1.813 20 0 BDADLO CCCc1noc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000186816568 385800297 /nfs/dbraw/zinc/80/02/97/385800297.db2.gz SAYFPOFCBHDOMJ-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000186816568 385800304 /nfs/dbraw/zinc/80/03/04/385800304.db2.gz SAYFPOFCBHDOMJ-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000571602697 385804516 /nfs/dbraw/zinc/80/45/16/385804516.db2.gz VOSWODVJTLUWHK-JTQLQIEISA-N 1 2 222.288 1.398 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000571602697 385804523 /nfs/dbraw/zinc/80/45/23/385804523.db2.gz VOSWODVJTLUWHK-JTQLQIEISA-N 1 2 222.288 1.398 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCC[C@H]21 ZINC000337862754 385809585 /nfs/dbraw/zinc/80/95/85/385809585.db2.gz JLCWYKXHFQPTNW-GXSJLCMTSA-N 1 2 243.314 1.742 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC1(O)CCC1 ZINC000283933322 385809645 /nfs/dbraw/zinc/80/96/45/385809645.db2.gz HNEGRUPBDZFYMW-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)C1CC1)C2 ZINC000365821496 385809884 /nfs/dbraw/zinc/80/98/84/385809884.db2.gz AIWYBNHFIFTESL-ZYHUDNBSSA-N 1 2 247.342 1.669 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCCO1 ZINC000283210629 385812418 /nfs/dbraw/zinc/81/24/18/385812418.db2.gz RPMUCYHSUPWWRP-FANORHCKSA-N 1 2 249.314 1.497 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCC1 ZINC000283576683 385822798 /nfs/dbraw/zinc/82/27/98/385822798.db2.gz WBBPPVRJAFQTEP-SNAWJCMRSA-N 1 2 205.261 1.339 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000231844424 385824070 /nfs/dbraw/zinc/82/40/70/385824070.db2.gz KNCMZJYDHFCQQU-BDAKNGLRSA-N 1 2 241.360 1.661 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000231844421 385824147 /nfs/dbraw/zinc/82/41/47/385824147.db2.gz KNCMZJYDHFCQQU-RKDXNWHRSA-N 1 2 241.360 1.661 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186994028 385824765 /nfs/dbraw/zinc/82/47/65/385824765.db2.gz HTQCVQQDOYCRLA-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccnc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186994028 385824771 /nfs/dbraw/zinc/82/47/71/385824771.db2.gz HTQCVQQDOYCRLA-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000271424280 385827469 /nfs/dbraw/zinc/82/74/69/385827469.db2.gz VNAXBSUKIVBYSH-PSASIEDQSA-N 1 2 237.303 1.263 20 0 BDADLO C[C@@H](O)CNc1cc(NCc2ccco2)nc[nH+]1 ZINC000294277363 385831460 /nfs/dbraw/zinc/83/14/60/385831460.db2.gz GHTPVJKSWJDBLG-SECBINFHSA-N 1 2 248.286 1.474 20 0 BDADLO C[C@@H](O)CNc1cc(NCc2ccco2)[nH+]cn1 ZINC000294277363 385831465 /nfs/dbraw/zinc/83/14/65/385831465.db2.gz GHTPVJKSWJDBLG-SECBINFHSA-N 1 2 248.286 1.474 20 0 BDADLO Cc1ccc(CN2CC[NH+](CCO)CC2)s1 ZINC000112120220 385833949 /nfs/dbraw/zinc/83/39/49/385833949.db2.gz FPIMXNFCQDYIOG-UHFFFAOYSA-N 1 2 240.372 1.166 20 0 BDADLO CC(F)(F)C(=O)NCCCn1cc[nH+]c1 ZINC000283975889 385843114 /nfs/dbraw/zinc/84/31/14/385843114.db2.gz JKBHTUIKRYHXJU-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC=C(F)C1 ZINC000271645083 385843470 /nfs/dbraw/zinc/84/34/70/385843470.db2.gz QUOOMZMRYVQXPR-MRVPVSSYSA-N 1 2 212.268 1.213 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC=C(F)C1 ZINC000271645083 385843473 /nfs/dbraw/zinc/84/34/73/385843473.db2.gz QUOOMZMRYVQXPR-MRVPVSSYSA-N 1 2 212.268 1.213 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000294410630 385846099 /nfs/dbraw/zinc/84/60/99/385846099.db2.gz IYQWPOZEESXMRZ-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC=CCC1 ZINC000271807057 385850623 /nfs/dbraw/zinc/85/06/23/385850623.db2.gz QGZVKYBSHVSKKE-NSHDSACASA-N 1 2 248.330 1.670 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCCCCO ZINC000284163497 385854189 /nfs/dbraw/zinc/85/41/89/385854189.db2.gz IXJBDKBWBXDLLV-UHFFFAOYSA-N 1 2 238.316 1.228 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CCCO ZINC000271114368 385788735 /nfs/dbraw/zinc/78/87/35/385788735.db2.gz HHOFVFBSGZJEGQ-SNVBAGLBSA-N 1 2 237.303 1.673 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000331621090 385792793 /nfs/dbraw/zinc/79/27/93/385792793.db2.gz JVCYQPDPPBUDEZ-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000331621090 385792797 /nfs/dbraw/zinc/79/27/97/385792797.db2.gz JVCYQPDPPBUDEZ-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC000331621090 385792800 /nfs/dbraw/zinc/79/28/00/385792800.db2.gz JVCYQPDPPBUDEZ-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000331621090 385792810 /nfs/dbraw/zinc/79/28/10/385792810.db2.gz JVCYQPDPPBUDEZ-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000331621090 385792815 /nfs/dbraw/zinc/79/28/15/385792815.db2.gz JVCYQPDPPBUDEZ-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCSC1 ZINC000282906468 385794133 /nfs/dbraw/zinc/79/41/33/385794133.db2.gz XHHSJEGKEJWYGM-VWCDRPFISA-N 1 2 237.328 1.292 20 0 BDADLO CCO[C@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000294477600 385856222 /nfs/dbraw/zinc/85/62/22/385856222.db2.gz IYBSBDKRNNKFGK-SECBINFHSA-N 1 2 238.287 1.131 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)ccc1F ZINC000294718492 385888219 /nfs/dbraw/zinc/88/82/19/385888219.db2.gz CIYNQWAYTMZWSR-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)ccc1F ZINC000294718492 385888233 /nfs/dbraw/zinc/88/82/33/385888233.db2.gz CIYNQWAYTMZWSR-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCOCC2)c(C)c[nH+]1 ZINC000365956391 385889997 /nfs/dbraw/zinc/88/99/97/385889997.db2.gz RBWSOHDPKFIZBD-LBPRGKRZSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)o1 ZINC000294831247 385902215 /nfs/dbraw/zinc/90/22/15/385902215.db2.gz QACRJDGHZSNATH-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000294842054 385904395 /nfs/dbraw/zinc/90/43/95/385904395.db2.gz ZFHDVMJKPGSJHG-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000294842054 385904401 /nfs/dbraw/zinc/90/44/01/385904401.db2.gz ZFHDVMJKPGSJHG-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO CC[C@@H](CO)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000294887100 385909612 /nfs/dbraw/zinc/90/96/12/385909612.db2.gz GQYYBNMREDZYJF-NSHDSACASA-N 1 2 235.331 1.870 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)CC[C@@H]1O ZINC000159416019 385929736 /nfs/dbraw/zinc/92/97/36/385929736.db2.gz ZDGNSBBMZKRIBH-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC[C@@H]1O ZINC000159416019 385929742 /nfs/dbraw/zinc/92/97/42/385929742.db2.gz ZDGNSBBMZKRIBH-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647861002 385918025 /nfs/dbraw/zinc/91/80/25/385918025.db2.gz IPDQRJUICOYFNQ-SNVBAGLBSA-N 1 2 248.330 1.907 20 0 BDADLO C[C@@H]1CCCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000647861002 385918029 /nfs/dbraw/zinc/91/80/29/385918029.db2.gz IPDQRJUICOYFNQ-SNVBAGLBSA-N 1 2 248.330 1.907 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@H]1CCCO1 ZINC000189086644 385924423 /nfs/dbraw/zinc/92/44/23/385924423.db2.gz JUOUBHNLCFAUOV-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO Cn1ncc(Cl)c1C[NH2+]Cc1ccoc1 ZINC000189075050 385925315 /nfs/dbraw/zinc/92/53/15/385925315.db2.gz OSRLPCXWUJBSPS-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC2(CCC2)C1 ZINC000284307732 385861334 /nfs/dbraw/zinc/86/13/34/385861334.db2.gz HBPLMVYJJXRDKN-NSCUHMNNSA-N 1 2 231.299 1.826 20 0 BDADLO CCOCCOC1CN(c2cc[nH+]c(C)n2)C1 ZINC000271920802 385861795 /nfs/dbraw/zinc/86/17/95/385861795.db2.gz DLHRWPDXWJIGRJ-UHFFFAOYSA-N 1 2 237.303 1.027 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000414588976 385865778 /nfs/dbraw/zinc/86/57/78/385865778.db2.gz WCKWDIRXFWAOKF-HAXFYCRJSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000414588976 385865780 /nfs/dbraw/zinc/86/57/80/385865780.db2.gz WCKWDIRXFWAOKF-HAXFYCRJSA-N 1 2 248.326 1.176 20 0 BDADLO Cc1nnc(NCc2ccc(N(C)C)[nH+]c2)o1 ZINC000272001749 385866426 /nfs/dbraw/zinc/86/64/26/385866426.db2.gz VVNIUWGVMXFMAC-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO COC(=O)C1=C(C)O[C@H](Cn2cc[nH+]c2)C1 ZINC000272012176 385867474 /nfs/dbraw/zinc/86/74/74/385867474.db2.gz GJPZQYURDJMEFC-VIFPVBQESA-N 1 2 222.244 1.119 20 0 BDADLO CC[N@H+](CCO)Cc1cc(C(C)(C)C)on1 ZINC000284449356 385870763 /nfs/dbraw/zinc/87/07/63/385870763.db2.gz ZZLSCTQXCLQOFG-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO CC[N@@H+](CCO)Cc1cc(C(C)(C)C)on1 ZINC000284449356 385870766 /nfs/dbraw/zinc/87/07/66/385870766.db2.gz ZZLSCTQXCLQOFG-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO C[N@@H+](Cc1nc2ccccc2o1)CC1OCCO1 ZINC000272059891 385872367 /nfs/dbraw/zinc/87/23/67/385872367.db2.gz IPZSPQWBCXXJBX-UHFFFAOYSA-N 1 2 248.282 1.633 20 0 BDADLO C[N@H+](Cc1nc2ccccc2o1)CC1OCCO1 ZINC000272059891 385872370 /nfs/dbraw/zinc/87/23/70/385872370.db2.gz IPZSPQWBCXXJBX-UHFFFAOYSA-N 1 2 248.282 1.633 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](CCO)C1CCC1 ZINC000221174557 385981155 /nfs/dbraw/zinc/98/11/55/385981155.db2.gz ZRYJXQHCVDIVEN-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](CCO)C1CCC1 ZINC000221174557 385981161 /nfs/dbraw/zinc/98/11/61/385981161.db2.gz ZRYJXQHCVDIVEN-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO COC[C@@](C)([NH2+]CCCCCF)C(=O)OC ZINC000336769688 385986823 /nfs/dbraw/zinc/98/68/23/385986823.db2.gz SGJLNRNDMYHVQF-LLVKDONJSA-N 1 2 235.299 1.294 20 0 BDADLO COC(=O)[C@@H](CF)NCc1c[nH+]cn1C(C)C ZINC000425391552 385942583 /nfs/dbraw/zinc/94/25/83/385942583.db2.gz ZUSJPVKBHZWQJG-SNVBAGLBSA-N 1 2 243.282 1.065 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(C)s1 ZINC000295020437 385943583 /nfs/dbraw/zinc/94/35/83/385943583.db2.gz NBSDWHYXSLRRKZ-MRVPVSSYSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)c(C)s1 ZINC000295020437 385943588 /nfs/dbraw/zinc/94/35/88/385943588.db2.gz NBSDWHYXSLRRKZ-MRVPVSSYSA-N 1 2 238.356 1.685 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CC1(F)F)Cn1cc[nH+]c1 ZINC000295028903 385948275 /nfs/dbraw/zinc/94/82/75/385948275.db2.gz RHHMTPWQQYZTFF-IUCAKERBSA-N 1 2 243.257 1.291 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000123945206 385954934 /nfs/dbraw/zinc/95/49/34/385954934.db2.gz HWJGKFYQULCBSX-SECBINFHSA-N 1 2 226.301 1.281 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000123945206 385954938 /nfs/dbraw/zinc/95/49/38/385954938.db2.gz HWJGKFYQULCBSX-SECBINFHSA-N 1 2 226.301 1.281 20 0 BDADLO CC1(C(=O)Nc2cccc3[nH+]ccn32)COC1 ZINC000272949423 385954973 /nfs/dbraw/zinc/95/49/73/385954973.db2.gz XIDMRCWMABQJEA-UHFFFAOYSA-N 1 2 231.255 1.309 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)s1 ZINC000338308691 385955501 /nfs/dbraw/zinc/95/55/01/385955501.db2.gz QGDFGTFWAAIWPE-APPZFPTMSA-N 1 2 239.344 1.364 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)s1 ZINC000338308691 385955510 /nfs/dbraw/zinc/95/55/10/385955510.db2.gz QGDFGTFWAAIWPE-APPZFPTMSA-N 1 2 239.344 1.364 20 0 BDADLO C[N@H+](Cc1ncnn1C(C)(C)C)[C@@H]1CCOC1 ZINC000338308938 385956666 /nfs/dbraw/zinc/95/66/66/385956666.db2.gz TZAGVUFZZKGATO-SNVBAGLBSA-N 1 2 238.335 1.254 20 0 BDADLO C[N@@H+](Cc1ncnn1C(C)(C)C)[C@@H]1CCOC1 ZINC000338308938 385956673 /nfs/dbraw/zinc/95/66/73/385956673.db2.gz TZAGVUFZZKGATO-SNVBAGLBSA-N 1 2 238.335 1.254 20 0 BDADLO CC1(C(=O)NCCCNc2cccc[nH+]2)COC1 ZINC000273025944 385961636 /nfs/dbraw/zinc/96/16/36/385961636.db2.gz DLVAHZWEYMHJIZ-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccoc2)no1 ZINC000345098542 385994225 /nfs/dbraw/zinc/99/42/25/385994225.db2.gz NOWVTPWGZDNVQE-UHFFFAOYSA-N 1 2 249.270 1.068 20 0 BDADLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccoc2)no1 ZINC000345098542 385994231 /nfs/dbraw/zinc/99/42/31/385994231.db2.gz NOWVTPWGZDNVQE-UHFFFAOYSA-N 1 2 249.270 1.068 20 0 BDADLO CO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1CC1 ZINC000425403108 385967531 /nfs/dbraw/zinc/96/75/31/385967531.db2.gz SXSLFRZXXYOPMM-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1CC1 ZINC000425403108 385967535 /nfs/dbraw/zinc/96/75/35/385967535.db2.gz SXSLFRZXXYOPMM-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C(F)F)no1 ZINC000425407780 385969481 /nfs/dbraw/zinc/96/94/81/385969481.db2.gz QDQHVKSOGRUTIE-UHFFFAOYSA-N 1 2 235.234 1.476 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C(F)F)no1 ZINC000425407780 385969492 /nfs/dbraw/zinc/96/94/92/385969492.db2.gz QDQHVKSOGRUTIE-UHFFFAOYSA-N 1 2 235.234 1.476 20 0 BDADLO Cn1ncc2c1nc(N[C@H]1CCC1(C)C)[nH+]c2N ZINC000286234186 386012510 /nfs/dbraw/zinc/01/25/10/386012510.db2.gz BJTRVKVTGIFDJI-QMMMGPOBSA-N 1 2 246.318 1.546 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cccc[nH+]1 ZINC000286299705 386020536 /nfs/dbraw/zinc/02/05/36/386020536.db2.gz JJVLLMWGPKGKRF-FUVSOYRFSA-N 1 2 230.311 1.941 20 0 BDADLO CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000356121168 386020759 /nfs/dbraw/zinc/02/07/59/386020759.db2.gz LZGKTJRANUZULG-SECBINFHSA-N 1 2 247.302 1.333 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)o1 ZINC000295387240 386022489 /nfs/dbraw/zinc/02/24/89/386022489.db2.gz QNRMHXALCVWMLF-QWRGUYRKSA-N 1 2 249.314 1.651 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)o1 ZINC000295387240 386022495 /nfs/dbraw/zinc/02/24/95/386022495.db2.gz QNRMHXALCVWMLF-QWRGUYRKSA-N 1 2 249.314 1.651 20 0 BDADLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)on1 ZINC000335072290 386023713 /nfs/dbraw/zinc/02/37/13/386023713.db2.gz DPTJJEYXSBAREP-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCCCO2)c[nH+]1 ZINC000335060794 386027562 /nfs/dbraw/zinc/02/75/62/386027562.db2.gz ZMHZNIMBWDKBTL-CYBMUJFWSA-N 1 2 248.326 1.884 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000295424493 386029366 /nfs/dbraw/zinc/02/93/66/386029366.db2.gz SNBBQZOEVBWQSG-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000295424493 386029373 /nfs/dbraw/zinc/02/93/73/386029373.db2.gz SNBBQZOEVBWQSG-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO CCC[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000295417730 386030298 /nfs/dbraw/zinc/03/02/98/386030298.db2.gz MEHBCOSDKASRSK-SECBINFHSA-N 1 2 225.292 1.263 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1cccc(CO)c1 ZINC000222110547 386036519 /nfs/dbraw/zinc/03/65/19/386036519.db2.gz SRIMJTVYKFYFKJ-UHFFFAOYSA-N 1 2 231.299 1.500 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCOCC[C@@H]1C ZINC000366075447 386038607 /nfs/dbraw/zinc/03/86/07/386038607.db2.gz DHVOLQXCOKKVBH-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCOCC[C@@H]1C ZINC000366075447 386038614 /nfs/dbraw/zinc/03/86/14/386038614.db2.gz DHVOLQXCOKKVBH-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CO)C2)c(C)s1 ZINC000334438913 386048333 /nfs/dbraw/zinc/04/83/33/386048333.db2.gz UFGCQLPRNGZFDI-LBPRGKRZSA-N 1 2 241.356 1.558 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CO)C2)c(C)s1 ZINC000334438913 386048338 /nfs/dbraw/zinc/04/83/38/386048338.db2.gz UFGCQLPRNGZFDI-LBPRGKRZSA-N 1 2 241.356 1.558 20 0 BDADLO CC[C@H](NC(=O)Nc1cc[nH+]cc1C)[C@@H](C)O ZINC000455030569 386050705 /nfs/dbraw/zinc/05/07/05/386050705.db2.gz DNQFSDKXSLGJRP-ZJUUUORDSA-N 1 2 237.303 1.093 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307933511 386052318 /nfs/dbraw/zinc/05/23/18/386052318.db2.gz GPGZDYRHQRYQHK-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307933511 386052322 /nfs/dbraw/zinc/05/23/22/386052322.db2.gz GPGZDYRHQRYQHK-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1sccc1C[NH+]1CCS(=O)CC1 ZINC000334459578 386104984 /nfs/dbraw/zinc/10/49/84/386104984.db2.gz SSLUELCZNDIIAA-UHFFFAOYSA-N 1 2 229.370 1.621 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647871558 386105085 /nfs/dbraw/zinc/10/50/85/386105085.db2.gz GSUASQDYANTLGS-MRVPVSSYSA-N 1 2 220.276 1.127 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647871558 386105088 /nfs/dbraw/zinc/10/50/88/386105088.db2.gz GSUASQDYANTLGS-MRVPVSSYSA-N 1 2 220.276 1.127 20 0 BDADLO C[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647871559 386105527 /nfs/dbraw/zinc/10/55/27/386105527.db2.gz GSUASQDYANTLGS-QMMMGPOBSA-N 1 2 220.276 1.127 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647871559 386105531 /nfs/dbraw/zinc/10/55/31/386105531.db2.gz GSUASQDYANTLGS-QMMMGPOBSA-N 1 2 220.276 1.127 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000075979463 386106136 /nfs/dbraw/zinc/10/61/36/386106136.db2.gz FUEHFDKNQDAYKO-KOLCDFICSA-N 1 2 248.330 1.355 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000334459776 386111358 /nfs/dbraw/zinc/11/13/58/386111358.db2.gz TUEIJGGYCAFEAD-GFCCVEGCSA-N 1 2 228.311 1.433 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000334459776 386111366 /nfs/dbraw/zinc/11/13/66/386111366.db2.gz TUEIJGGYCAFEAD-GFCCVEGCSA-N 1 2 228.311 1.433 20 0 BDADLO C[C@H](CO)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000286609149 386059063 /nfs/dbraw/zinc/05/90/63/386059063.db2.gz YEFJDVAFBKKBKA-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](CO)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000286609149 386059066 /nfs/dbraw/zinc/05/90/66/386059066.db2.gz YEFJDVAFBKKBKA-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1[nH]c(C(=O)NCCCC(C)(F)F)c[nH+]1 ZINC000295626950 386062167 /nfs/dbraw/zinc/06/21/67/386062167.db2.gz RRLBBSHOSCTSLN-UHFFFAOYSA-N 1 2 231.246 1.883 20 0 BDADLO Cc1cc(CNC(=O)[C@]2(C)CCCO2)cc(C)[nH+]1 ZINC000335072799 386062568 /nfs/dbraw/zinc/06/25/68/386062568.db2.gz JHBFXWIMLBXIIJ-AWEZNQCLSA-N 1 2 248.326 1.884 20 0 BDADLO COC(=O)C[N@H+](CCc1cscn1)C(C)C ZINC000295649106 386066622 /nfs/dbraw/zinc/06/66/22/386066622.db2.gz GCUSHNPASMNCQV-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)C[N@@H+](CCc1cscn1)C(C)C ZINC000295649106 386066626 /nfs/dbraw/zinc/06/66/26/386066626.db2.gz GCUSHNPASMNCQV-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCOCC23CC3)CC1 ZINC000338594517 386069892 /nfs/dbraw/zinc/06/98/92/386069892.db2.gz YRRUNHPDIRSUHO-UHFFFAOYSA-N 1 2 239.315 1.195 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCOCC23CC3)CC1 ZINC000338594517 386069896 /nfs/dbraw/zinc/06/98/96/386069896.db2.gz YRRUNHPDIRSUHO-UHFFFAOYSA-N 1 2 239.315 1.195 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1cncc(F)c1 ZINC000223112735 386077473 /nfs/dbraw/zinc/07/74/73/386077473.db2.gz KNWFKPUPRUOFQC-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[N@H+](CCCCO)Cc1nc(C(F)F)no1 ZINC000425446399 386078930 /nfs/dbraw/zinc/07/89/30/386078930.db2.gz PAFZFKUSBQRQDO-UHFFFAOYSA-N 1 2 235.234 1.212 20 0 BDADLO C[N@@H+](CCCCO)Cc1nc(C(F)F)no1 ZINC000425446399 386078934 /nfs/dbraw/zinc/07/89/34/386078934.db2.gz PAFZFKUSBQRQDO-UHFFFAOYSA-N 1 2 235.234 1.212 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)C[C@H]1C ZINC000334446129 386081190 /nfs/dbraw/zinc/08/11/90/386081190.db2.gz GWRBCQRHSZKMQH-SECBINFHSA-N 1 2 223.320 1.427 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)C[C@H]1C ZINC000334446129 386081194 /nfs/dbraw/zinc/08/11/94/386081194.db2.gz GWRBCQRHSZKMQH-SECBINFHSA-N 1 2 223.320 1.427 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000334446209 386081548 /nfs/dbraw/zinc/08/15/48/386081548.db2.gz HCZZBJCEZGXAAZ-AAEUAGOBSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000334446209 386081555 /nfs/dbraw/zinc/08/15/55/386081555.db2.gz HCZZBJCEZGXAAZ-AAEUAGOBSA-N 1 2 242.338 1.821 20 0 BDADLO CC[C@H](SC)C(=O)NCc1[nH+]ccn1CC ZINC000295786649 386085148 /nfs/dbraw/zinc/08/51/48/386085148.db2.gz QNBUFHBJJOCMQF-VIFPVBQESA-N 1 2 241.360 1.661 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CF ZINC000286952923 386085779 /nfs/dbraw/zinc/08/57/79/386085779.db2.gz CZZHFZUXVAJKJM-QMMMGPOBSA-N 1 2 211.240 1.870 20 0 BDADLO CCCCOCC(=O)NCc1[nH+]ccn1CC ZINC000295867402 386099158 /nfs/dbraw/zinc/09/91/58/386099158.db2.gz XJIOJQRFRPZDMG-UHFFFAOYSA-N 1 2 239.319 1.336 20 0 BDADLO CN(c1cc(N2CCCC2)[nH+]cn1)[C@@H]1CCOC1 ZINC000287182777 386100204 /nfs/dbraw/zinc/10/02/04/386100204.db2.gz HKWLIWKYLSLTJB-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO CN(c1cc(N2CCCC2)nc[nH+]1)[C@@H]1CCOC1 ZINC000287182777 386100210 /nfs/dbraw/zinc/10/02/10/386100210.db2.gz HKWLIWKYLSLTJB-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO CC(C)[N@H+](Cc1ccc(CO)o1)C1COC1 ZINC000296164937 386146564 /nfs/dbraw/zinc/14/65/64/386146564.db2.gz WUOREEMBKMQZMD-UHFFFAOYSA-N 1 2 225.288 1.381 20 0 BDADLO CC(C)[N@@H+](Cc1ccc(CO)o1)C1COC1 ZINC000296164937 386146571 /nfs/dbraw/zinc/14/65/71/386146571.db2.gz WUOREEMBKMQZMD-UHFFFAOYSA-N 1 2 225.288 1.381 20 0 BDADLO CC(C)[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414365872 386149723 /nfs/dbraw/zinc/14/97/23/386149723.db2.gz NOEWGJDFXVDWOB-UHFFFAOYSA-N 1 2 247.385 1.992 20 0 BDADLO CC(C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414365872 386149727 /nfs/dbraw/zinc/14/97/27/386149727.db2.gz NOEWGJDFXVDWOB-UHFFFAOYSA-N 1 2 247.385 1.992 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)no1 ZINC000366929669 386150218 /nfs/dbraw/zinc/15/02/18/386150218.db2.gz KTNSUQWMKDMXRU-GHMZBOCLSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)no1 ZINC000366929669 386150222 /nfs/dbraw/zinc/15/02/22/386150222.db2.gz KTNSUQWMKDMXRU-GHMZBOCLSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(N2CCC[C@@H](O)CC2)c(C)c(C)[nH+]1 ZINC000338834911 386156267 /nfs/dbraw/zinc/15/62/67/386156267.db2.gz HWHOHRVKELVPQN-GFCCVEGCSA-N 1 2 235.331 1.753 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCC2(CC2)C1 ZINC000287963264 386158431 /nfs/dbraw/zinc/15/84/31/386158431.db2.gz SNPNYJZNQVMTHT-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N)n2)cc1 ZINC000310265470 386170309 /nfs/dbraw/zinc/17/03/09/386170309.db2.gz RLBXDKNCGBGIBL-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1ccc(CNc2nc(N)nc(C)[nH+]2)cc1 ZINC000310265470 386170315 /nfs/dbraw/zinc/17/03/15/386170315.db2.gz RLBXDKNCGBGIBL-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1nc(C(F)F)no1 ZINC000425488388 386170523 /nfs/dbraw/zinc/17/05/23/386170523.db2.gz WNEURNQVUMSMTI-UHFFFAOYSA-N 1 2 249.261 1.912 20 0 BDADLO Cc1nc(NC[C@H](C)CC(F)F)cc[nH+]1 ZINC000645305041 386171413 /nfs/dbraw/zinc/17/14/13/386171413.db2.gz ONLANROTXPSIDW-SSDOTTSWSA-N 1 2 215.247 1.910 20 0 BDADLO COC(=O)CCSc1[nH+]cnc2[nH]ccc21 ZINC000263755242 386172408 /nfs/dbraw/zinc/17/24/08/386172408.db2.gz HHFORLPPSDYNGX-UHFFFAOYSA-N 1 2 237.284 1.613 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)[C@@H](C)CO ZINC000425484178 386176470 /nfs/dbraw/zinc/17/64/70/386176470.db2.gz SGXZWRZTIJXAKO-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)[C@@H](C)CO ZINC000425484178 386176475 /nfs/dbraw/zinc/17/64/75/386176475.db2.gz SGXZWRZTIJXAKO-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]cc1C)[C@@H](C)CO ZINC000296466211 386177563 /nfs/dbraw/zinc/17/75/63/386177563.db2.gz ACXPZFQXCUQLRV-JTQLQIEISA-N 1 2 237.303 1.625 20 0 BDADLO CC[N@H+](CCO)Cc1cn(-c2ccccc2)nn1 ZINC000338917714 386180168 /nfs/dbraw/zinc/18/01/68/386180168.db2.gz YVBXNRKZCXGQGZ-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CC[N@@H+](CCO)Cc1cn(-c2ccccc2)nn1 ZINC000338917714 386180173 /nfs/dbraw/zinc/18/01/73/386180173.db2.gz YVBXNRKZCXGQGZ-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cncc(F)c1 ZINC000275117383 386183083 /nfs/dbraw/zinc/18/30/83/386183083.db2.gz IHUNAIPDAKGESL-XXFAHNHDSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cncc(F)c1 ZINC000275117383 386183086 /nfs/dbraw/zinc/18/30/86/386183086.db2.gz IHUNAIPDAKGESL-XXFAHNHDSA-N 1 2 244.335 1.420 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000275123140 386183541 /nfs/dbraw/zinc/18/35/41/386183541.db2.gz PTCWVGYGYZMVDD-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000275123140 386183543 /nfs/dbraw/zinc/18/35/43/386183543.db2.gz PTCWVGYGYZMVDD-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)CO ZINC000287496983 386128963 /nfs/dbraw/zinc/12/89/63/386128963.db2.gz LEACIZATZLIWRE-MRVPVSSYSA-N 1 2 223.276 1.201 20 0 BDADLO CCc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000296076418 386133458 /nfs/dbraw/zinc/13/34/58/386133458.db2.gz DVWVTCSEHHWQDB-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO CCc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000296076418 386133460 /nfs/dbraw/zinc/13/34/60/386133460.db2.gz DVWVTCSEHHWQDB-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000274655113 386137063 /nfs/dbraw/zinc/13/70/63/386137063.db2.gz FKAOVQAPSVOMND-BDAKNGLRSA-N 1 2 207.277 1.318 20 0 BDADLO C[C@H](CF)[NH2+]Cc1cc(F)ncc1F ZINC000296125412 386139379 /nfs/dbraw/zinc/13/93/79/386139379.db2.gz UDKNAUZQURNZLH-ZCFIWIBFSA-N 1 2 204.195 1.807 20 0 BDADLO CC(C)(C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022430 386142258 /nfs/dbraw/zinc/14/22/58/386142258.db2.gz UGVSIFKMKFAYPX-QMMMGPOBSA-N 1 2 236.319 1.365 20 0 BDADLO CC(C)(C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022430 386142266 /nfs/dbraw/zinc/14/22/66/386142266.db2.gz UGVSIFKMKFAYPX-QMMMGPOBSA-N 1 2 236.319 1.365 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccc(F)c1Cl ZINC000339117185 386259382 /nfs/dbraw/zinc/25/93/82/386259382.db2.gz CEQDIWAKKIQGAE-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccc(F)c1Cl ZINC000339117185 386259384 /nfs/dbraw/zinc/25/93/84/386259384.db2.gz CEQDIWAKKIQGAE-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO Cc1cncc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000336742621 386202629 /nfs/dbraw/zinc/20/26/29/386202629.db2.gz XEXUARRLFROIOK-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CCC1(O)CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC000347052771 386206533 /nfs/dbraw/zinc/20/65/33/386206533.db2.gz KZGZANXWNBHXTR-SNVBAGLBSA-N 1 2 238.335 1.113 20 0 BDADLO COCC1(C[N@@H+]2CC(F)(F)C[C@H]2CO)CCC1 ZINC000643378124 386207888 /nfs/dbraw/zinc/20/78/88/386207888.db2.gz PTJMQIQKDVTFTM-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO COCC1(C[N@H+]2CC(F)(F)C[C@H]2CO)CCC1 ZINC000643378124 386207893 /nfs/dbraw/zinc/20/78/93/386207893.db2.gz PTJMQIQKDVTFTM-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nnc(NCCc2cn3ccccc3[nH+]2)o1 ZINC000275392396 386208350 /nfs/dbraw/zinc/20/83/50/386208350.db2.gz QIFSNYUHMVCZRS-UHFFFAOYSA-N 1 2 243.270 1.680 20 0 BDADLO Cc1nc(C(C)C)oc1C[NH+]1CCOCC1 ZINC000336116027 386219116 /nfs/dbraw/zinc/21/91/16/386219116.db2.gz REPRIWBXLGLPIS-UHFFFAOYSA-N 1 2 224.304 1.939 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC(C)(O)CC2)[nH+]1 ZINC000347114905 386232136 /nfs/dbraw/zinc/23/21/36/386232136.db2.gz WBANCZHHNYOOCZ-UHFFFAOYSA-N 1 2 246.314 1.618 20 0 BDADLO c1nc(C[NH+]2CC([C@@H]3CCOC3)C2)cs1 ZINC000366250349 386232212 /nfs/dbraw/zinc/23/22/12/386232212.db2.gz SHECYQBSAWYDOJ-SECBINFHSA-N 1 2 224.329 1.611 20 0 BDADLO CC[N@H+](CCO)CC(=O)OCc1ccccc1 ZINC000264442741 386236439 /nfs/dbraw/zinc/23/64/39/386236439.db2.gz GFACPNFOWSHXCS-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO CC[N@@H+](CCO)CC(=O)OCc1ccccc1 ZINC000264442741 386236442 /nfs/dbraw/zinc/23/64/42/386236442.db2.gz GFACPNFOWSHXCS-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO CS(=O)(=O)CC[N@@H+]1CCCc2occc2C1 ZINC000288847097 386237582 /nfs/dbraw/zinc/23/75/82/386237582.db2.gz OXZJRCHMFSIKBX-UHFFFAOYSA-N 1 2 243.328 1.072 20 0 BDADLO CS(=O)(=O)CC[N@H+]1CCCc2occc2C1 ZINC000288847097 386237589 /nfs/dbraw/zinc/23/75/89/386237589.db2.gz OXZJRCHMFSIKBX-UHFFFAOYSA-N 1 2 243.328 1.072 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264470250 386240365 /nfs/dbraw/zinc/24/03/65/386240365.db2.gz QUGXXSFTBZXRST-MFKMUULPSA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264470250 386240369 /nfs/dbraw/zinc/24/03/69/386240369.db2.gz QUGXXSFTBZXRST-MFKMUULPSA-N 1 2 249.285 1.931 20 0 BDADLO CCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275864577 386246691 /nfs/dbraw/zinc/24/66/91/386246691.db2.gz NDFLPCDAFTYKKJ-GFCCVEGCSA-N 1 2 246.314 1.520 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000414390578 386257010 /nfs/dbraw/zinc/25/70/10/386257010.db2.gz ABUBIVUXLMLZMT-WDEREUQCSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000414390578 386257014 /nfs/dbraw/zinc/25/70/14/386257014.db2.gz ABUBIVUXLMLZMT-WDEREUQCSA-N 1 2 235.331 1.648 20 0 BDADLO CN(Cc1ccc[nH]1)Cc1[nH+]ccn1C ZINC000336648181 386257342 /nfs/dbraw/zinc/25/73/42/386257342.db2.gz NSBHVKDOSWOTER-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263932932 386193902 /nfs/dbraw/zinc/19/39/02/386193902.db2.gz CYYZAPGAYYHVBD-SECBINFHSA-N 1 2 245.286 1.153 20 0 BDADLO Cc1cc(C)c(C(=O)NC2C[NH+](C(C)C)C2)o1 ZINC000275247464 386196014 /nfs/dbraw/zinc/19/60/14/386196014.db2.gz PHCVIAATHVXHBG-UHFFFAOYSA-N 1 2 236.315 1.719 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000428103150 386197710 /nfs/dbraw/zinc/19/77/10/386197710.db2.gz PKMYPJASDNWUAN-DCQANWLSSA-N 1 2 245.326 1.360 20 0 BDADLO Fc1ccc([C@H]2CC[N@H+](Cc3c[nH]nn3)C2)cc1 ZINC000296759822 386199653 /nfs/dbraw/zinc/19/96/53/386199653.db2.gz LKKKOEWLNSPJDB-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)cc1 ZINC000296759822 386199656 /nfs/dbraw/zinc/19/96/56/386199656.db2.gz LKKKOEWLNSPJDB-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@H]2CC[N@H+](Cc3cnn[nH]3)C2)cc1 ZINC000296759822 386199663 /nfs/dbraw/zinc/19/96/63/386199663.db2.gz LKKKOEWLNSPJDB-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)cc1 ZINC000296759822 386199669 /nfs/dbraw/zinc/19/96/69/386199669.db2.gz LKKKOEWLNSPJDB-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@H]2CC[N@H+](Cc3cn[nH]n3)C2)cc1 ZINC000296759822 386199675 /nfs/dbraw/zinc/19/96/75/386199675.db2.gz LKKKOEWLNSPJDB-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)cc1 ZINC000296759822 386199679 /nfs/dbraw/zinc/19/96/79/386199679.db2.gz LKKKOEWLNSPJDB-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000289299253 386280694 /nfs/dbraw/zinc/28/06/94/386280694.db2.gz CHDUHJGORCLGKF-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000289299253 386280698 /nfs/dbraw/zinc/28/06/98/386280698.db2.gz CHDUHJGORCLGKF-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1nc(C[NH2+][C@@](C)(C(N)=O)C(C)C)oc1C ZINC000289282063 386281005 /nfs/dbraw/zinc/28/10/05/386281005.db2.gz GHGWYAUQCWFUSH-GFCCVEGCSA-N 1 2 239.319 1.281 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@H](O)C1 ZINC000297835653 386282236 /nfs/dbraw/zinc/28/22/36/386282236.db2.gz RQKIQZYJVFDECJ-DTORHVGOSA-N 1 2 221.260 1.035 20 0 BDADLO COc1ncccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000339197748 386290146 /nfs/dbraw/zinc/29/01/46/386290146.db2.gz ROCXERPHMVMNFP-UHFFFAOYSA-N 1 2 247.258 1.135 20 0 BDADLO COC(=O)c1occc1Cn1cc[nH+]c1 ZINC000122529326 386292773 /nfs/dbraw/zinc/29/27/73/386292773.db2.gz ZLMBTANDYQSSPP-UHFFFAOYSA-N 1 2 206.201 1.311 20 0 BDADLO Cn1nccc1C1=CC[N@H+](Cc2cc[nH]n2)CC1 ZINC000289397703 386296817 /nfs/dbraw/zinc/29/68/17/386296817.db2.gz OHCOAISTDMGZAW-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1nccc1C1=CC[N@@H+](Cc2cc[nH]n2)CC1 ZINC000289397703 386296822 /nfs/dbraw/zinc/29/68/22/386296822.db2.gz OHCOAISTDMGZAW-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO c1cn(CCc2nc(C3CC3)no2)c[nH+]1 ZINC000265080155 386302896 /nfs/dbraw/zinc/30/28/96/386302896.db2.gz ZJDSTAWKQFFJFB-UHFFFAOYSA-N 1 2 204.233 1.386 20 0 BDADLO CC1=CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000339215797 386303940 /nfs/dbraw/zinc/30/39/40/386303940.db2.gz GOMQRUAHZLGMTD-UHFFFAOYSA-N 1 2 233.319 1.402 20 0 BDADLO CC1=CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000339215797 386303945 /nfs/dbraw/zinc/30/39/45/386303945.db2.gz GOMQRUAHZLGMTD-UHFFFAOYSA-N 1 2 233.319 1.402 20 0 BDADLO CC[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298145881 386304637 /nfs/dbraw/zinc/30/46/37/386304637.db2.gz DEGGSQDNYQZQGO-RKDXNWHRSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298145881 386304642 /nfs/dbraw/zinc/30/46/42/386304642.db2.gz DEGGSQDNYQZQGO-RKDXNWHRSA-N 1 2 224.308 1.480 20 0 BDADLO COCCC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000347264870 386310193 /nfs/dbraw/zinc/31/01/93/386310193.db2.gz INGSYKYSHJOYSQ-MRVPVSSYSA-N 1 2 229.349 1.876 20 0 BDADLO COCCC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000347264870 386310197 /nfs/dbraw/zinc/31/01/97/386310197.db2.gz INGSYKYSHJOYSQ-MRVPVSSYSA-N 1 2 229.349 1.876 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289457244 386311313 /nfs/dbraw/zinc/31/13/13/386311313.db2.gz XWFMEYHTCGGPJL-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289457244 386311318 /nfs/dbraw/zinc/31/13/18/386311318.db2.gz XWFMEYHTCGGPJL-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO CCC(CC)([NH2+]CCOC1CCC1)C(=O)OC ZINC000347154020 386263566 /nfs/dbraw/zinc/26/35/66/386263566.db2.gz LQTQZVZVRZBUSH-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1occc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000414392277 386267117 /nfs/dbraw/zinc/26/71/17/386267117.db2.gz BKSGNAWGBHCYDV-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000414392277 386267121 /nfs/dbraw/zinc/26/71/21/386267121.db2.gz BKSGNAWGBHCYDV-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)CCc1c[nH+]cn1C ZINC000339163458 386269523 /nfs/dbraw/zinc/26/95/23/386269523.db2.gz HHXUNNYEFHORTO-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000339162616 386269946 /nfs/dbraw/zinc/26/99/46/386269946.db2.gz BIAIGAZEFNYGOQ-PJXYFTJBSA-N 1 2 233.315 1.267 20 0 BDADLO CCOCCOC1C[NH+](Cc2cccn2C)C1 ZINC000297625779 386270119 /nfs/dbraw/zinc/27/01/19/386270119.db2.gz LQLQNPKBSAPTEW-UHFFFAOYSA-N 1 2 238.331 1.262 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000336653794 386271282 /nfs/dbraw/zinc/27/12/82/386271282.db2.gz YPLANQQRABZQPV-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000336653794 386271284 /nfs/dbraw/zinc/27/12/84/386271284.db2.gz YPLANQQRABZQPV-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1[nH]c(C(=O)NCCCC(C)C)c[nH+]1 ZINC000264811513 386271298 /nfs/dbraw/zinc/27/12/98/386271298.db2.gz GCFAKNVCNCXRDM-UHFFFAOYSA-N 1 2 209.293 1.884 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000336653795 386272952 /nfs/dbraw/zinc/27/29/52/386272952.db2.gz YPLANQQRABZQPV-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000336653795 386272957 /nfs/dbraw/zinc/27/29/57/386272957.db2.gz YPLANQQRABZQPV-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@](C)(F)C1 ZINC000347347988 386343085 /nfs/dbraw/zinc/34/30/85/386343085.db2.gz JTNHBEHOEHXQQP-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@](C)(F)C1 ZINC000347347988 386343088 /nfs/dbraw/zinc/34/30/88/386343088.db2.gz JTNHBEHOEHXQQP-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccco1 ZINC000298444818 386346624 /nfs/dbraw/zinc/34/66/24/386346624.db2.gz DRFUTAZBHUGWDY-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000298444818 386346632 /nfs/dbraw/zinc/34/66/32/386346632.db2.gz DRFUTAZBHUGWDY-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO CCC1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC000276601384 386351632 /nfs/dbraw/zinc/35/16/32/386351632.db2.gz RDTPNPSRCZUEPR-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO COCc1nc(C[N@H+](CCO)C2CC2)cs1 ZINC000336699933 386386636 /nfs/dbraw/zinc/38/66/36/386386636.db2.gz JTOXAMUFPZOOBH-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@@H+](CCO)C2CC2)cs1 ZINC000336699933 386386639 /nfs/dbraw/zinc/38/66/39/386386639.db2.gz JTOXAMUFPZOOBH-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO COC[C@H]([NH2+]Cc1nccn1C)c1ccccc1 ZINC000226652494 386354401 /nfs/dbraw/zinc/35/44/01/386354401.db2.gz DENVBBJWKISORQ-ZDUSSCGKSA-N 1 2 245.326 1.897 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1CO ZINC000276632294 386357938 /nfs/dbraw/zinc/35/79/38/386357938.db2.gz SYOODSGDGMEAEX-SKNSLPIRSA-N 1 2 249.314 1.090 20 0 BDADLO COC[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276670321 386362630 /nfs/dbraw/zinc/36/26/30/386362630.db2.gz ZBQZBUIDOGLEBT-SGUJLRQBSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)no1 ZINC000298615048 386363774 /nfs/dbraw/zinc/36/37/74/386363774.db2.gz LYABCKUGEYTIII-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)o1 ZINC000289851487 386364211 /nfs/dbraw/zinc/36/42/11/386364211.db2.gz PZLFLTWHECQQIY-GFCCVEGCSA-N 1 2 227.279 1.884 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)o1 ZINC000289851487 386364215 /nfs/dbraw/zinc/36/42/15/386364215.db2.gz PZLFLTWHECQQIY-GFCCVEGCSA-N 1 2 227.279 1.884 20 0 BDADLO CO[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1OC ZINC000276766262 386372410 /nfs/dbraw/zinc/37/24/10/386372410.db2.gz AUGRIDKVMLKKIE-PHIMTYICSA-N 1 2 249.314 1.204 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000276773386 386374685 /nfs/dbraw/zinc/37/46/85/386374685.db2.gz IEJHHSFKNIGAHF-WDEREUQCSA-N 1 2 218.304 1.763 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1[C@@H]1C=CCCC1 ZINC000276773386 386374692 /nfs/dbraw/zinc/37/46/92/386374692.db2.gz IEJHHSFKNIGAHF-WDEREUQCSA-N 1 2 218.304 1.763 20 0 BDADLO OCC1(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000157515103 386384945 /nfs/dbraw/zinc/38/49/45/386384945.db2.gz NTHGKWQJKRWDGP-UHFFFAOYSA-N 1 2 205.261 1.291 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](CCO)c1ccco1 ZINC000289558704 386326618 /nfs/dbraw/zinc/32/66/18/386326618.db2.gz QTGHEASUXOMYRN-JTQLQIEISA-N 1 2 235.287 1.524 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000289558704 386326621 /nfs/dbraw/zinc/32/66/21/386326621.db2.gz QTGHEASUXOMYRN-JTQLQIEISA-N 1 2 235.287 1.524 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H](O)CC(C)(C)C)c[nH+]1 ZINC000265319977 386328193 /nfs/dbraw/zinc/32/81/93/386328193.db2.gz KQWBXFWHIVDBLH-SECBINFHSA-N 1 2 239.319 1.245 20 0 BDADLO CN(CC[NH2+][C@]1(C)CCOC1=O)c1ccccc1 ZINC000289578315 386329169 /nfs/dbraw/zinc/32/91/69/386329169.db2.gz OWRGZIDYVZLFLR-CQSZACIVSA-N 1 2 248.326 1.418 20 0 BDADLO C[C@]1([NH2+]CC[C@H](O)c2ccccc2)CCOC1=O ZINC000298363205 386330377 /nfs/dbraw/zinc/33/03/77/386330377.db2.gz NEUFQTXOEOTIDN-JSGCOSHPSA-N 1 2 249.310 1.405 20 0 BDADLO c1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000645396710 386330603 /nfs/dbraw/zinc/33/06/03/386330603.db2.gz WBSCTBUKGBOMJR-OPRDCNLKSA-N 1 2 246.314 1.881 20 0 BDADLO c1nc2c(c(N[C@@H]3CC[C@@H]4C[C@@H]4C3)[nH+]1)OCCN2 ZINC000645396710 386330609 /nfs/dbraw/zinc/33/06/09/386330609.db2.gz WBSCTBUKGBOMJR-OPRDCNLKSA-N 1 2 246.314 1.881 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC(C)(C)O1 ZINC000336680936 386338974 /nfs/dbraw/zinc/33/89/74/386338974.db2.gz WPNSBWUPAKEFRW-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC(C)(C)O1 ZINC000336680936 386338979 /nfs/dbraw/zinc/33/89/79/386338979.db2.gz WPNSBWUPAKEFRW-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000290449754 386437106 /nfs/dbraw/zinc/43/71/06/386437106.db2.gz ONQJDHWGVXFLBM-NXEZZACHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000290449754 386437109 /nfs/dbraw/zinc/43/71/09/386437109.db2.gz ONQJDHWGVXFLBM-NXEZZACHSA-N 1 2 209.293 1.327 20 0 BDADLO CC[C@@H](CNC(=O)Nc1cc[nH+]cc1C)OC ZINC000290050247 386388478 /nfs/dbraw/zinc/38/84/78/386388478.db2.gz HBLAHSRBPQZROA-JTQLQIEISA-N 1 2 237.303 1.937 20 0 BDADLO COC(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266020994 386391763 /nfs/dbraw/zinc/39/17/63/386391763.db2.gz CERUJCPASRYYOE-UHFFFAOYSA-N 1 2 233.271 1.698 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ncnn1C ZINC000276920355 386392238 /nfs/dbraw/zinc/39/22/38/386392238.db2.gz OOBVAWDEIUFNEJ-MRVPVSSYSA-N 1 2 244.302 1.656 20 0 BDADLO Cc1nonc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276957621 386393969 /nfs/dbraw/zinc/39/39/69/386393969.db2.gz POWSEBNEBCECQU-UHFFFAOYSA-N 1 2 246.270 1.037 20 0 BDADLO Cc1nonc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276957621 386393973 /nfs/dbraw/zinc/39/39/73/386393973.db2.gz POWSEBNEBCECQU-UHFFFAOYSA-N 1 2 246.270 1.037 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cncs1 ZINC000298933589 386399525 /nfs/dbraw/zinc/39/95/25/386399525.db2.gz AURAKVIGCKKSGN-MRVPVSSYSA-N 1 2 236.300 1.158 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259796 386400204 /nfs/dbraw/zinc/40/02/04/386400204.db2.gz UNNQMOUDZTWFID-NXEZZACHSA-N 1 2 228.311 1.478 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259796 386400210 /nfs/dbraw/zinc/40/02/10/386400210.db2.gz UNNQMOUDZTWFID-NXEZZACHSA-N 1 2 228.311 1.478 20 0 BDADLO COc1cc(C[NH2+]Cc2cnn(C)n2)ccc1C ZINC000290166338 386402142 /nfs/dbraw/zinc/40/21/42/386402142.db2.gz QNYYQOVFCTZRKQ-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000336701981 386403116 /nfs/dbraw/zinc/40/31/16/386403116.db2.gz MOODMZBMMKNEMZ-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000336701981 386403122 /nfs/dbraw/zinc/40/31/22/386403122.db2.gz MOODMZBMMKNEMZ-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO COC(=O)C[N@H+](CCOC(C)C)C1CC1 ZINC000347441665 386404053 /nfs/dbraw/zinc/40/40/53/386404053.db2.gz PLZQFDYTNBFLHQ-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)C[N@@H+](CCOC(C)C)C1CC1 ZINC000347441665 386404059 /nfs/dbraw/zinc/40/40/59/386404059.db2.gz PLZQFDYTNBFLHQ-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nnc(C)s2)C1 ZINC000347454426 386409501 /nfs/dbraw/zinc/40/95/01/386409501.db2.gz RPIMAICQEVLJHX-UHFFFAOYSA-N 1 2 241.360 1.846 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nnc(C)s2)C1 ZINC000347454426 386409503 /nfs/dbraw/zinc/40/95/03/386409503.db2.gz RPIMAICQEVLJHX-UHFFFAOYSA-N 1 2 241.360 1.846 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1cccnc1 ZINC000339431283 386425135 /nfs/dbraw/zinc/42/51/35/386425135.db2.gz IYZAGWNJDMFOSF-UHFFFAOYSA-N 1 2 244.298 1.016 20 0 BDADLO Cc1cnc(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000647933924 386425210 /nfs/dbraw/zinc/42/52/10/386425210.db2.gz OPQGTWXLMBRGIY-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)nn1C ZINC000336712990 386429188 /nfs/dbraw/zinc/42/91/88/386429188.db2.gz SERNUUPSQYOXNK-STQMWFEESA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)nn1C ZINC000336712990 386429194 /nfs/dbraw/zinc/42/91/94/386429194.db2.gz SERNUUPSQYOXNK-STQMWFEESA-N 1 2 235.331 1.482 20 0 BDADLO Cc1nsc(NCc2cn3c([nH+]2)CCCC3)n1 ZINC000266359053 386429223 /nfs/dbraw/zinc/42/92/23/386429223.db2.gz KJLFNCPKOUHXOM-UHFFFAOYSA-N 1 2 249.343 1.991 20 0 BDADLO C[C@H](O)CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277374191 386430641 /nfs/dbraw/zinc/43/06/41/386430641.db2.gz HUYAGNTWBUKTGC-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO C[C@H](O)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277374191 386430646 /nfs/dbraw/zinc/43/06/46/386430646.db2.gz HUYAGNTWBUKTGC-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CO[C@H]1CCCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000266445181 386436356 /nfs/dbraw/zinc/43/63/56/386436356.db2.gz BIIQZAYBQPWOPM-KOLCDFICSA-N 1 2 237.303 1.406 20 0 BDADLO C[C@@]1(O)CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000277850296 386469076 /nfs/dbraw/zinc/46/90/76/386469076.db2.gz QTWLQVOMIARIDL-CYBMUJFWSA-N 1 2 248.330 1.038 20 0 BDADLO C[C@@]1(O)CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000277850296 386469080 /nfs/dbraw/zinc/46/90/80/386469080.db2.gz QTWLQVOMIARIDL-CYBMUJFWSA-N 1 2 248.330 1.038 20 0 BDADLO C[NH+](C)Cc1nc(CCC(F)(F)F)no1 ZINC000277837979 386469116 /nfs/dbraw/zinc/46/91/16/386469116.db2.gz ISCPKNRDVJUEHW-UHFFFAOYSA-N 1 2 223.198 1.626 20 0 BDADLO c1coc(-c2noc(CCn3cc[nH+]c3)n2)c1 ZINC000340663078 386528570 /nfs/dbraw/zinc/52/85/70/386528570.db2.gz SVOYWKQIPKTIMF-UHFFFAOYSA-N 1 2 230.227 1.769 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3cocn3)C2)c1 ZINC000290783666 386476153 /nfs/dbraw/zinc/47/61/53/386476153.db2.gz DCOLQKRUSHIDSD-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cocn3)C2)c1 ZINC000290783666 386476162 /nfs/dbraw/zinc/47/61/62/386476162.db2.gz DCOLQKRUSHIDSD-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CC=CCC1 ZINC000299641435 386476144 /nfs/dbraw/zinc/47/61/44/386476144.db2.gz IQZRHHPSCNYCGL-GFCCVEGCSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cocn3)C2)c1 ZINC000290783656 386476194 /nfs/dbraw/zinc/47/61/94/386476194.db2.gz DCOLQKRUSHIDSD-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cocn3)C2)c1 ZINC000290783656 386476199 /nfs/dbraw/zinc/47/61/99/386476199.db2.gz DCOLQKRUSHIDSD-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339564367 386476822 /nfs/dbraw/zinc/47/68/22/386476822.db2.gz UVGHRUDAQCXMLA-HLTSFMKQSA-N 1 2 225.292 1.617 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339564367 386476827 /nfs/dbraw/zinc/47/68/27/386476827.db2.gz UVGHRUDAQCXMLA-HLTSFMKQSA-N 1 2 225.292 1.617 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cc2n(n1)CCO2 ZINC000290837194 386480872 /nfs/dbraw/zinc/48/08/72/386480872.db2.gz PZDZHIXIASPOSC-UHFFFAOYSA-N 1 2 244.254 1.231 20 0 BDADLO CO[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000340647862 386487947 /nfs/dbraw/zinc/48/79/47/386487947.db2.gz SXSGIUCMBOWWSB-ZETCQYMHSA-N 1 2 222.248 1.101 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)no1 ZINC000335432191 386489153 /nfs/dbraw/zinc/48/91/53/386489153.db2.gz DCGSHYVJGVIHNP-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)no1 ZINC000335432191 386489157 /nfs/dbraw/zinc/48/91/57/386489157.db2.gz DCGSHYVJGVIHNP-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](SC)C1 ZINC000383196202 386490107 /nfs/dbraw/zinc/49/01/07/386490107.db2.gz MSJNDQLZVXXSFY-SSDOTTSWSA-N 1 2 240.332 1.009 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](SC)C1 ZINC000383196202 386490108 /nfs/dbraw/zinc/49/01/08/386490108.db2.gz MSJNDQLZVXXSFY-SSDOTTSWSA-N 1 2 240.332 1.009 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@H]1C1CCC1 ZINC000335433125 386490982 /nfs/dbraw/zinc/49/09/82/386490982.db2.gz KPLYUFJJCGXKHW-LBPRGKRZSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000335433125 386490989 /nfs/dbraw/zinc/49/09/89/386490989.db2.gz KPLYUFJJCGXKHW-LBPRGKRZSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000335433125 386490994 /nfs/dbraw/zinc/49/09/94/386490994.db2.gz KPLYUFJJCGXKHW-LBPRGKRZSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)(C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290956924 386491539 /nfs/dbraw/zinc/49/15/39/386491539.db2.gz QYIXZYZVAXPMAE-UHFFFAOYSA-N 1 2 221.304 1.662 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3csnn3)C2)c1 ZINC000290988908 386496176 /nfs/dbraw/zinc/49/61/76/386496176.db2.gz UXPDEUZCFRGWHV-NSHDSACASA-N 1 2 249.343 1.490 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3csnn3)C2)c1 ZINC000290988908 386496179 /nfs/dbraw/zinc/49/61/79/386496179.db2.gz UXPDEUZCFRGWHV-NSHDSACASA-N 1 2 249.343 1.490 20 0 BDADLO CCC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000291013093 386500345 /nfs/dbraw/zinc/50/03/45/386500345.db2.gz DKHBMUVGPLDKPY-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO O=C(c1cccc(F)n1)N1CCn2c[nH+]cc2C1 ZINC000291052452 386504667 /nfs/dbraw/zinc/50/46/67/386504667.db2.gz HCPUDJOXEHEFFX-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC=CO1 ZINC000278255179 386505210 /nfs/dbraw/zinc/50/52/10/386505210.db2.gz PQKNCTNJAMARSU-JTQLQIEISA-N 1 2 213.277 1.174 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCC=CO1 ZINC000278255179 386505216 /nfs/dbraw/zinc/50/52/16/386505216.db2.gz PQKNCTNJAMARSU-JTQLQIEISA-N 1 2 213.277 1.174 20 0 BDADLO Cn1ccnc1SCc1c[nH+]cn1C ZINC000267181436 386507351 /nfs/dbraw/zinc/50/73/51/386507351.db2.gz MYMQYTAZILIKQG-UHFFFAOYSA-N 1 2 208.290 1.446 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2CF)nn1C ZINC000339663676 386513428 /nfs/dbraw/zinc/51/34/28/386513428.db2.gz DNTGAUWNHNZWHY-LLVKDONJSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2CF)nn1C ZINC000339663676 386513430 /nfs/dbraw/zinc/51/34/30/386513430.db2.gz DNTGAUWNHNZWHY-LLVKDONJSA-N 1 2 211.284 1.662 20 0 BDADLO OCCN(CC1CC1)c1cc[nH+]c2ccncc21 ZINC000343230138 386513415 /nfs/dbraw/zinc/51/34/15/386513415.db2.gz UBAZQLRBBAGNGT-UHFFFAOYSA-N 1 2 243.310 1.839 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000335448124 386518049 /nfs/dbraw/zinc/51/80/49/386518049.db2.gz UCEDSNNCHLIGRR-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000335448124 386518051 /nfs/dbraw/zinc/51/80/51/386518051.db2.gz UCEDSNNCHLIGRR-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@@H]1C1CCC1 ZINC000335448124 386518053 /nfs/dbraw/zinc/51/80/53/386518053.db2.gz UCEDSNNCHLIGRR-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000267346326 386530357 /nfs/dbraw/zinc/53/03/57/386530357.db2.gz MRJYDQXGGFNPDT-JZYVYDRUSA-N 1 2 219.288 1.082 20 0 BDADLO CC(C)c1nc(N[C@H](C)c2cn[nH]c2)cc[nH+]1 ZINC000339704902 386524237 /nfs/dbraw/zinc/52/42/37/386524237.db2.gz KPEOTRLHBWKMIB-SECBINFHSA-N 1 2 231.303 1.918 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@H](C)C(C)(F)F ZINC000394817744 386454010 /nfs/dbraw/zinc/45/40/10/386454010.db2.gz FCOUHCRGQAOAOW-MRVPVSSYSA-N 1 2 217.263 1.862 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000336721623 386457900 /nfs/dbraw/zinc/45/79/00/386457900.db2.gz ZOOCRGYGPBHIOJ-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000336721623 386457906 /nfs/dbraw/zinc/45/79/06/386457906.db2.gz ZOOCRGYGPBHIOJ-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000299494870 386458371 /nfs/dbraw/zinc/45/83/71/386458371.db2.gz KKZHDDXRIYEFJI-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000299494870 386458379 /nfs/dbraw/zinc/45/83/79/386458379.db2.gz KKZHDDXRIYEFJI-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)ns1 ZINC000277690492 386458639 /nfs/dbraw/zinc/45/86/39/386458639.db2.gz GRQSSXLQXPREMZ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CO[C@@H](CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000292683283 386459117 /nfs/dbraw/zinc/45/91/17/386459117.db2.gz DSXOEEKUMNQLDP-ZETCQYMHSA-N 1 2 242.710 1.549 20 0 BDADLO CO[C@@H](CNc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000292683283 386459128 /nfs/dbraw/zinc/45/91/28/386459128.db2.gz DSXOEEKUMNQLDP-ZETCQYMHSA-N 1 2 242.710 1.549 20 0 BDADLO Cc1occc1C[NH2+]Cc1nc(N(C)C)no1 ZINC000414439111 386462209 /nfs/dbraw/zinc/46/22/09/386462209.db2.gz WFKKCOWIEADCQZ-UHFFFAOYSA-N 1 2 236.275 1.327 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2=CCCCC2)c1 ZINC000457850078 386464109 /nfs/dbraw/zinc/46/41/09/386464109.db2.gz GSCRRXAJFMWMEQ-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000336722894 386464084 /nfs/dbraw/zinc/46/40/84/386464084.db2.gz YKOVGCGSGURZGH-VIFPVBQESA-N 1 2 241.335 1.834 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000336722894 386464091 /nfs/dbraw/zinc/46/40/91/386464091.db2.gz YKOVGCGSGURZGH-VIFPVBQESA-N 1 2 241.335 1.834 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)nn1 ZINC000414439274 386465949 /nfs/dbraw/zinc/46/59/49/386465949.db2.gz WVKIEIUGOYNCDE-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)nn1 ZINC000414439274 386465951 /nfs/dbraw/zinc/46/59/51/386465951.db2.gz WVKIEIUGOYNCDE-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO COCCC1(C)C[NH+](Cc2cc(C)n(C)n2)C1 ZINC000414458969 386580470 /nfs/dbraw/zinc/58/04/70/386580470.db2.gz IEMNHKFXTFGGCA-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO Cc1ccc(OCc2c[nH+]cn2C)cn1 ZINC000267757366 386581605 /nfs/dbraw/zinc/58/16/05/386581605.db2.gz IQGVUCRSYXVMGB-UHFFFAOYSA-N 1 2 203.245 1.703 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000336644107 386587277 /nfs/dbraw/zinc/58/72/77/386587277.db2.gz AANRKUMMDNMTOC-IUCAKERBSA-N 1 2 217.334 1.423 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CCSC1 ZINC000228584141 386589147 /nfs/dbraw/zinc/58/91/47/386589147.db2.gz DKSCOHAEDCAUDK-MRVPVSSYSA-N 1 2 249.343 1.528 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C)CCC2)c[nH+]1 ZINC000267841605 386590247 /nfs/dbraw/zinc/59/02/47/386590247.db2.gz LPWIBDBKRDLVPJ-UHFFFAOYSA-N 1 2 207.277 1.638 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@H](C)O ZINC000336755296 386534067 /nfs/dbraw/zinc/53/40/67/386534067.db2.gz GGSSENYQSKHXOF-GARJFASQSA-N 1 2 231.336 1.181 20 0 BDADLO COC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C(=O)OC ZINC000336755295 386534459 /nfs/dbraw/zinc/53/44/59/386534459.db2.gz GGRLHLJAGLCHCM-UTLUCORTSA-N 1 2 229.320 1.199 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1(C)CCC1 ZINC000267371977 386534984 /nfs/dbraw/zinc/53/49/84/386534984.db2.gz IXVKGYVUCFICDA-UHFFFAOYSA-N 1 2 221.304 1.569 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1cc(C)no1 ZINC000291359125 386535402 /nfs/dbraw/zinc/53/54/02/386535402.db2.gz YRRJCAHNJMUWLM-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1cc(C)no1 ZINC000291359125 386535407 /nfs/dbraw/zinc/53/54/07/386535407.db2.gz YRRJCAHNJMUWLM-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C(=O)OC ZINC000336755293 386535947 /nfs/dbraw/zinc/53/59/47/386535947.db2.gz GGRLHLJAGLCHCM-BBBLOLIVSA-N 1 2 229.320 1.199 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000335457924 386536890 /nfs/dbraw/zinc/53/68/90/386536890.db2.gz GKUURWTZSWOHEI-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000335457924 386536897 /nfs/dbraw/zinc/53/68/97/386536897.db2.gz GKUURWTZSWOHEI-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cnn(C)c1CNc1ccc(CO)c[nH+]1 ZINC000291517978 386553743 /nfs/dbraw/zinc/55/37/43/386553743.db2.gz IVXHEHGOMQMPMJ-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCS[C@H](C)C1 ZINC000519803908 386554171 /nfs/dbraw/zinc/55/41/71/386554171.db2.gz YERACMNBGJAABU-RKDXNWHRSA-N 1 2 238.360 1.387 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CCS[C@H](C)C1 ZINC000519803908 386554174 /nfs/dbraw/zinc/55/41/74/386554174.db2.gz YERACMNBGJAABU-RKDXNWHRSA-N 1 2 238.360 1.387 20 0 BDADLO CC[C@H](CNc1nc(N)c2ccccc2[nH+]1)OC ZINC000519796294 386557900 /nfs/dbraw/zinc/55/79/00/386557900.db2.gz KRIFOHKWMKXSPS-SECBINFHSA-N 1 2 246.314 1.301 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cncn1C ZINC000267598115 386559298 /nfs/dbraw/zinc/55/92/98/386559298.db2.gz KXVXVPXLSYIUOP-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cncn1C ZINC000267598115 386559302 /nfs/dbraw/zinc/55/93/02/386559302.db2.gz KXVXVPXLSYIUOP-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1Cc1c[nH+]cn1C ZINC000267598115 386559305 /nfs/dbraw/zinc/55/93/05/386559305.db2.gz KXVXVPXLSYIUOP-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000267627155 386562120 /nfs/dbraw/zinc/56/21/20/386562120.db2.gz GBCMHHIEZMVSJI-VIFPVBQESA-N 1 2 249.270 1.550 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000267627155 386562124 /nfs/dbraw/zinc/56/21/24/386562124.db2.gz GBCMHHIEZMVSJI-VIFPVBQESA-N 1 2 249.270 1.550 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000335406099 386562457 /nfs/dbraw/zinc/56/24/57/386562457.db2.gz GNZGOHZTDMTBCA-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000335406099 386562459 /nfs/dbraw/zinc/56/24/59/386562459.db2.gz GNZGOHZTDMTBCA-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000278668873 386563069 /nfs/dbraw/zinc/56/30/69/386563069.db2.gz PRRWUGAPGUXVBC-ONGXEEELSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000278668873 386563075 /nfs/dbraw/zinc/56/30/75/386563075.db2.gz PRRWUGAPGUXVBC-ONGXEEELSA-N 1 2 235.331 1.956 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000335406178 386564085 /nfs/dbraw/zinc/56/40/85/386564085.db2.gz LLZQTCCPZBZDDJ-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CC[C@@H](F)C1 ZINC000335406178 386564087 /nfs/dbraw/zinc/56/40/87/386564087.db2.gz LLZQTCCPZBZDDJ-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000335408202 386568206 /nfs/dbraw/zinc/56/82/06/386568206.db2.gz XKTZTGWXBHIIRZ-VIFPVBQESA-N 1 2 220.251 1.273 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000335408202 386568209 /nfs/dbraw/zinc/56/82/09/386568209.db2.gz XKTZTGWXBHIIRZ-VIFPVBQESA-N 1 2 220.251 1.273 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1C[C@@H]1C ZINC000644920518 386620802 /nfs/dbraw/zinc/62/08/02/386620802.db2.gz KUKVDWKLFHHDAP-WCBMZHEXSA-N 1 2 220.272 1.362 20 0 BDADLO O=C1CCCN1CCC[N@@H+]1Cc2cccnc2C1 ZINC000644933827 386623264 /nfs/dbraw/zinc/62/32/64/386623264.db2.gz LCKOAONUOVWPIE-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO O=C1CCCN1CCC[N@H+]1Cc2cccnc2C1 ZINC000644933827 386623271 /nfs/dbraw/zinc/62/32/71/386623271.db2.gz LCKOAONUOVWPIE-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CCc1ccccc1 ZINC000268192735 386629177 /nfs/dbraw/zinc/62/91/77/386629177.db2.gz WVYWGRHPGUFTGQ-KRWDZBQOSA-N 1 2 248.351 1.912 20 0 BDADLO Cc1ccc([S@](=O)Cc2c[nH+]cn2C)nc1 ZINC000268198457 386629825 /nfs/dbraw/zinc/62/98/25/386629825.db2.gz NVQXRFRUFJIKSS-MRXNPFEDSA-N 1 2 235.312 1.431 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000335502812 386631801 /nfs/dbraw/zinc/63/18/01/386631801.db2.gz KBVKFTGYXMUJSH-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000335502812 386631807 /nfs/dbraw/zinc/63/18/07/386631807.db2.gz KBVKFTGYXMUJSH-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)ncn1 ZINC000292243908 386638610 /nfs/dbraw/zinc/63/86/10/386638610.db2.gz TVVHIMFJDSEPEE-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)ncn1 ZINC000292243908 386638615 /nfs/dbraw/zinc/63/86/15/386638615.db2.gz TVVHIMFJDSEPEE-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C(C)(C)C ZINC000335513578 386648781 /nfs/dbraw/zinc/64/87/81/386648781.db2.gz OPTYBBKGXRJWSO-UHFFFAOYSA-N 1 2 209.293 1.518 20 0 BDADLO CO[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000267992121 386606366 /nfs/dbraw/zinc/60/63/66/386606366.db2.gz WSXSBEYEAVXDFE-NSHDSACASA-N 1 2 245.282 1.195 20 0 BDADLO C[C@@]1(C(=O)Nc2cccc3[nH+]ccn32)CCCO1 ZINC000268058010 386612238 /nfs/dbraw/zinc/61/22/38/386612238.db2.gz URFHTWVRVBOMBH-ZDUSSCGKSA-N 1 2 245.282 1.842 20 0 BDADLO CC[C@H](C)C[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000645356417 386659266 /nfs/dbraw/zinc/65/92/66/386659266.db2.gz XLFJHYJWVWRIOZ-JQWIXIFHSA-N 1 2 249.358 1.985 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H](C3CCC3)C2)n1C ZINC000414475501 386659567 /nfs/dbraw/zinc/65/95/67/386659567.db2.gz VBIZZKLLUZQBSA-ZDUSSCGKSA-N 1 2 249.358 1.729 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000645356418 386659943 /nfs/dbraw/zinc/65/99/43/386659943.db2.gz XLFJHYJWVWRIOZ-PWSUYJOCSA-N 1 2 249.358 1.985 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccnc(Cl)c1 ZINC000188459429 386659995 /nfs/dbraw/zinc/65/99/95/386659995.db2.gz KRYFPULUGSAIRQ-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccnc(Cl)c1 ZINC000188459429 386660000 /nfs/dbraw/zinc/66/00/00/386660000.db2.gz KRYFPULUGSAIRQ-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO C[C@@H](O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000120419981 386660431 /nfs/dbraw/zinc/66/04/31/386660431.db2.gz XGIUTWCFGMDPKS-MRVPVSSYSA-N 1 2 249.318 1.374 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000279299033 386661318 /nfs/dbraw/zinc/66/13/18/386661318.db2.gz ZNKACBIQSXNOLA-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nnc3n2CCC3)o1 ZINC000268539679 386663043 /nfs/dbraw/zinc/66/30/43/386663043.db2.gz ZTTHTOPCVPFIDH-UHFFFAOYSA-N 1 2 246.314 1.670 20 0 BDADLO C[C@H](O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000120183626 386663221 /nfs/dbraw/zinc/66/32/21/386663221.db2.gz XGIUTWCFGMDPKS-QMMMGPOBSA-N 1 2 249.318 1.374 20 0 BDADLO CC1(C[N@@H+]2CC(F)(F)C[C@@H]2CO)CCC1 ZINC000645002137 386665202 /nfs/dbraw/zinc/66/52/02/386665202.db2.gz CIGDMXALJNWQCU-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO CC1(C[N@H+]2CC(F)(F)C[C@@H]2CO)CCC1 ZINC000645002137 386665205 /nfs/dbraw/zinc/66/52/05/386665205.db2.gz CIGDMXALJNWQCU-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO CC[NH+](CC)Cc1nnnn1CC(F)(F)F ZINC000190802402 386669132 /nfs/dbraw/zinc/66/91/32/386669132.db2.gz HTJMBTKXMLJDIC-UHFFFAOYSA-N 1 2 237.229 1.077 20 0 BDADLO [NH3+][C@@H](C(=O)N[C@@H]1C=CCCC1)c1cscn1 ZINC000335526948 386670935 /nfs/dbraw/zinc/67/09/35/386670935.db2.gz AVXXVJRJKGPLHY-PSASIEDQSA-N 1 2 237.328 1.368 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1occc1C ZINC000292432506 386671110 /nfs/dbraw/zinc/67/11/10/386671110.db2.gz WFRWVPOEUDJHHX-LLVKDONJSA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1occc1C ZINC000292432506 386671115 /nfs/dbraw/zinc/67/11/15/386671115.db2.gz WFRWVPOEUDJHHX-LLVKDONJSA-N 1 2 238.331 1.935 20 0 BDADLO CCCC[C@H](COC)[NH2+][C@@H](CC)C(=O)OC ZINC000192850506 386677866 /nfs/dbraw/zinc/67/78/66/386677866.db2.gz LADWPURSZZOBCI-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO CC1(C)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000524813773 259692279 /nfs/dbraw/zinc/69/22/79/259692279.db2.gz SKLGCVUXXRGLAY-UHFFFAOYSA-N 1 2 229.283 1.959 20 0 BDADLO O=C([C@@H]1CCCOC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329376208 386657582 /nfs/dbraw/zinc/65/75/82/386657582.db2.gz ODPGHFMOOKCOIP-MNOVXSKESA-N 1 2 249.314 1.500 20 0 BDADLO CO[C@@H](C)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000526957826 386708927 /nfs/dbraw/zinc/70/89/27/386708927.db2.gz URULKUMSCRRPID-JTQLQIEISA-N 1 2 237.303 1.277 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C2CCC2)no1 ZINC000357019069 386688253 /nfs/dbraw/zinc/68/82/53/386688253.db2.gz BIRHENNYTFJZFH-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C2CCC2)no1 ZINC000357019069 386688261 /nfs/dbraw/zinc/68/82/61/386688261.db2.gz BIRHENNYTFJZFH-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO CCN(C[C@H](C)O)c1cc[nH+]c(C(C)C)n1 ZINC000343249092 386691910 /nfs/dbraw/zinc/69/19/10/386691910.db2.gz CUBHXGBHAFQIPW-JTQLQIEISA-N 1 2 223.320 1.807 20 0 BDADLO CCc1cc(NCCc2nccnc2C)nc[nH+]1 ZINC000645052864 386697022 /nfs/dbraw/zinc/69/70/22/386697022.db2.gz BLZGNZKIGCDUOS-UHFFFAOYSA-N 1 2 243.314 1.214 20 0 BDADLO CC[C@@H](F)C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336648937 386697488 /nfs/dbraw/zinc/69/74/88/386697488.db2.gz GZTKEUCYYZWYRL-JGVFFNPUSA-N 1 2 200.261 1.214 20 0 BDADLO CC[C@H](F)C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336648939 386698786 /nfs/dbraw/zinc/69/87/86/386698786.db2.gz GZTKEUCYYZWYRL-YUMQZZPRSA-N 1 2 200.261 1.214 20 0 BDADLO CC(=O)[C@@H]1CCCCN1Cc1[nH]cc[nH+]1 ZINC000307506014 386699624 /nfs/dbraw/zinc/69/96/24/386699624.db2.gz YAVMBTVUGHSZRS-JTQLQIEISA-N 1 2 207.277 1.353 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](O)CC2)[nH+]1 ZINC000645065780 386702252 /nfs/dbraw/zinc/70/22/52/386702252.db2.gz UJHYFDLILABUAI-JTQLQIEISA-N 1 2 246.314 1.618 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000353218434 386703697 /nfs/dbraw/zinc/70/36/97/386703697.db2.gz JZIBJRZVRFMGGB-SNVBAGLBSA-N 1 2 240.351 1.500 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000353218434 386703704 /nfs/dbraw/zinc/70/37/04/386703704.db2.gz JZIBJRZVRFMGGB-SNVBAGLBSA-N 1 2 240.351 1.500 20 0 BDADLO c1cn2c(cccc2CNc2ncccn2)[nH+]1 ZINC000187916974 386733127 /nfs/dbraw/zinc/73/31/27/386733127.db2.gz CBIGCVCRDWMHOD-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CCCSC1 ZINC000414496768 386737620 /nfs/dbraw/zinc/73/76/20/386737620.db2.gz ZLPLEXNPMGIJBF-QWRGUYRKSA-N 1 2 243.372 1.813 20 0 BDADLO NC(=O)C[N@H+](Cc1ccccc1)CC1(F)CC1 ZINC000526970713 386715821 /nfs/dbraw/zinc/71/58/21/386715821.db2.gz AXROJQPDQADELN-UHFFFAOYSA-N 1 2 236.290 1.476 20 0 BDADLO NC(=O)C[N@@H+](Cc1ccccc1)CC1(F)CC1 ZINC000526970713 386715826 /nfs/dbraw/zinc/71/58/26/386715826.db2.gz AXROJQPDQADELN-UHFFFAOYSA-N 1 2 236.290 1.476 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)on1 ZINC000268947732 386722744 /nfs/dbraw/zinc/72/27/44/386722744.db2.gz BRTOKNOLMHNRCW-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)on1 ZINC000268947732 386722750 /nfs/dbraw/zinc/72/27/50/386722750.db2.gz BRTOKNOLMHNRCW-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO CCS(=O)(=O)C1CC[NH+](CC2(F)CC2)CC1 ZINC000526988314 386724233 /nfs/dbraw/zinc/72/42/33/386724233.db2.gz HFHBAPPDSDBCLY-UHFFFAOYSA-N 1 2 249.351 1.388 20 0 BDADLO CS[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000330468666 386725312 /nfs/dbraw/zinc/72/53/12/386725312.db2.gz KMDAMWLZLWJYIQ-SSDOTTSWSA-N 1 2 213.306 1.168 20 0 BDADLO CS[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000330468666 386725318 /nfs/dbraw/zinc/72/53/18/386725318.db2.gz KMDAMWLZLWJYIQ-SSDOTTSWSA-N 1 2 213.306 1.168 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ncccn1 ZINC000268944944 386725721 /nfs/dbraw/zinc/72/57/21/386725721.db2.gz GVOWIUAJDLUKDM-UHFFFAOYSA-N 1 2 217.276 1.200 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)[C@@H]1C ZINC000335538883 386744624 /nfs/dbraw/zinc/74/46/24/386744624.db2.gz OOKLZVDSAIDVHF-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)[C@@H]1C ZINC000335538883 386744631 /nfs/dbraw/zinc/74/46/31/386744631.db2.gz OOKLZVDSAIDVHF-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO CC[C@@H](F)C[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516204 386748305 /nfs/dbraw/zinc/74/83/05/386748305.db2.gz FOJSBPRZBNRZRJ-VGMNWLOBSA-N 1 2 218.272 1.359 20 0 BDADLO CC[C@@H](F)C[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516204 386748312 /nfs/dbraw/zinc/74/83/12/386748312.db2.gz FOJSBPRZBNRZRJ-VGMNWLOBSA-N 1 2 218.272 1.359 20 0 BDADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000292912679 386749804 /nfs/dbraw/zinc/74/98/04/386749804.db2.gz HODCZWLSOMYEQJ-RNCFNFMXSA-N 1 2 244.298 1.427 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNCc1cocn1 ZINC000192318130 386761549 /nfs/dbraw/zinc/76/15/49/386761549.db2.gz DUSGHNQATDWGKM-UHFFFAOYSA-N 1 2 234.303 1.817 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cccnc1N(C)C ZINC000352857346 386765984 /nfs/dbraw/zinc/76/59/84/386765984.db2.gz YMQGVFIWILGVKD-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CCN1Cc1c[nH+]c[nH]1 ZINC000280220070 386790435 /nfs/dbraw/zinc/79/04/35/386790435.db2.gz LEJNPGLVQXJPTD-GXSJLCMTSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CCN1Cc1c[nH]c[nH+]1 ZINC000280220070 386790442 /nfs/dbraw/zinc/79/04/42/386790442.db2.gz LEJNPGLVQXJPTD-GXSJLCMTSA-N 1 2 237.303 1.183 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000125335930 386795449 /nfs/dbraw/zinc/79/54/49/386795449.db2.gz VKHGQMCEWHPIBE-DTWKUNHWSA-N 1 2 239.344 1.873 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000125333109 386796081 /nfs/dbraw/zinc/79/60/81/386796081.db2.gz DDGSJFVECKYVHL-BDAKNGLRSA-N 1 2 223.276 1.014 20 0 BDADLO CCc1nnc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)[nH]1 ZINC000191173237 386770562 /nfs/dbraw/zinc/77/05/62/386770562.db2.gz XZWWIFWWYUPQOS-RKDXNWHRSA-N 1 2 238.335 1.101 20 0 BDADLO Cc1cnc(C[N@@H+](C)C2(C(N)=O)CCCC2)nc1 ZINC000357392568 386776073 /nfs/dbraw/zinc/77/60/73/386776073.db2.gz RSCCWTBQCFLWKY-UHFFFAOYSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1cnc(C[N@H+](C)C2(C(N)=O)CCCC2)nc1 ZINC000357392568 386776078 /nfs/dbraw/zinc/77/60/78/386776078.db2.gz RSCCWTBQCFLWKY-UHFFFAOYSA-N 1 2 248.330 1.015 20 0 BDADLO CN(Cc1cc[nH]n1)c1nc[nH+]c(N)c1Cl ZINC000336666160 386776921 /nfs/dbraw/zinc/77/69/21/386776921.db2.gz LQOFEWMMCYJZSI-UHFFFAOYSA-N 1 2 238.682 1.072 20 0 BDADLO CSC[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000330535275 386777366 /nfs/dbraw/zinc/77/73/66/386777366.db2.gz DPARLZOCHVNJRO-ZETCQYMHSA-N 1 2 226.301 1.147 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccncc2)[nH]1 ZINC000293125891 386780187 /nfs/dbraw/zinc/78/01/87/386780187.db2.gz KUXPSEGAXHFTHC-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccncc2)[nH]1 ZINC000293125891 386780196 /nfs/dbraw/zinc/78/01/96/386780196.db2.gz KUXPSEGAXHFTHC-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)[C@H]1C ZINC000293196643 386787755 /nfs/dbraw/zinc/78/77/55/386787755.db2.gz XLLWFXCDLGFGJJ-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)[C@H]1C ZINC000293196643 386787761 /nfs/dbraw/zinc/78/77/61/386787761.db2.gz XLLWFXCDLGFGJJ-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO CNc1ccc(Nc2ncnc3n[nH]cc32)c[nH+]1 ZINC000301105121 386817768 /nfs/dbraw/zinc/81/77/68/386817768.db2.gz LXHPAJNWBCWNAL-UHFFFAOYSA-N 1 2 241.258 1.533 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)C[C@@H](C)O)cc[nH+]1 ZINC000340983792 386821855 /nfs/dbraw/zinc/82/18/55/386821855.db2.gz FHHXBXFHYJAJGF-VHSXEESVSA-N 1 2 237.303 1.093 20 0 BDADLO CCc1noc([C@H](C)N2CCn3c[nH+]cc3C2)n1 ZINC000647939228 386822661 /nfs/dbraw/zinc/82/26/61/386822661.db2.gz GUGNJGNURBGDKP-VIFPVBQESA-N 1 2 247.302 1.405 20 0 BDADLO COc1cc(C)[nH+]c(Cn2nc(C)ccc2=O)c1 ZINC000330599372 386805578 /nfs/dbraw/zinc/80/55/78/386805578.db2.gz CALXDAIELFUNPA-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](O)C[C@H]2C)c(C)c[nH+]1 ZINC000526075730 386808863 /nfs/dbraw/zinc/80/88/63/386808863.db2.gz WUYMVEYLWZZRAV-MNOVXSKESA-N 1 2 249.314 1.107 20 0 BDADLO CO[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000526077509 386810839 /nfs/dbraw/zinc/81/08/39/386810839.db2.gz YZBKBPKDWDRPNG-GFCCVEGCSA-N 1 2 234.299 1.484 20 0 BDADLO c1nn2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366544516 386811170 /nfs/dbraw/zinc/81/11/70/386811170.db2.gz MIIDGRVZAJVRON-QWHCGFSZSA-N 1 2 229.283 1.307 20 0 BDADLO c1nn2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366544516 386811173 /nfs/dbraw/zinc/81/11/73/386811173.db2.gz MIIDGRVZAJVRON-QWHCGFSZSA-N 1 2 229.283 1.307 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(C)CC1 ZINC000357804119 386848404 /nfs/dbraw/zinc/84/84/04/386848404.db2.gz WYMDRSWJPDUAIL-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H]1SC ZINC000425333270 386848675 /nfs/dbraw/zinc/84/86/75/386848675.db2.gz DXZSGPLQTMIIPS-BWZBUEFSSA-N 1 2 203.307 1.032 20 0 BDADLO C[C@H](CCO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301910812 386891673 /nfs/dbraw/zinc/89/16/73/386891673.db2.gz SHMUIYLGTKJKDK-SECBINFHSA-N 1 2 246.314 1.642 20 0 BDADLO COCCN1C(=O)C2(CC2)[NH2+][C@@]12CC[C@@H](C)C2 ZINC000334844500 386892775 /nfs/dbraw/zinc/89/27/75/386892775.db2.gz SSNKHMYBTZAVIQ-MFKMUULPSA-N 1 2 238.331 1.114 20 0 BDADLO CN(CCO)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301561785 386855456 /nfs/dbraw/zinc/85/54/56/386855456.db2.gz UQDDUSNELZGPNS-UHFFFAOYSA-N 1 2 209.293 1.203 20 0 BDADLO CCC(=O)N1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000425344582 386856190 /nfs/dbraw/zinc/85/61/90/386856190.db2.gz DEZUOPCXUJOWPB-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO CCC(=O)N1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000425344582 386856194 /nfs/dbraw/zinc/85/61/94/386856194.db2.gz DEZUOPCXUJOWPB-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO Cc1noc(C[N@H+](CC(C)(C)O)C2CC2)n1 ZINC000331470998 386859601 /nfs/dbraw/zinc/85/96/01/386859601.db2.gz JWFAQBCDOKLHII-UHFFFAOYSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1noc(C[N@@H+](CC(C)(C)O)C2CC2)n1 ZINC000331470998 386859605 /nfs/dbraw/zinc/85/96/05/386859605.db2.gz JWFAQBCDOKLHII-UHFFFAOYSA-N 1 2 225.292 1.113 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)no1)C1(CO)CC1 ZINC000331520489 386865793 /nfs/dbraw/zinc/86/57/93/386865793.db2.gz QXGZFDPZHPIYBT-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)C1(CO)CC1 ZINC000331520489 386865797 /nfs/dbraw/zinc/86/57/97/386865797.db2.gz QXGZFDPZHPIYBT-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334830481 386866899 /nfs/dbraw/zinc/86/68/99/386866899.db2.gz RQNSFTICELCCAN-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@H](CF)C1 ZINC000334830481 386866902 /nfs/dbraw/zinc/86/69/02/386866902.db2.gz RQNSFTICELCCAN-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000335745680 386866985 /nfs/dbraw/zinc/86/69/85/386866985.db2.gz UZLGZRWIHJEILB-LLVKDONJSA-N 1 2 235.331 1.702 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ncc(C)s1 ZINC000293736905 386869893 /nfs/dbraw/zinc/86/98/93/386869893.db2.gz ZSKQFPRMADXUJN-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ncc(C)s1 ZINC000293736905 386869895 /nfs/dbraw/zinc/86/98/95/386869895.db2.gz ZSKQFPRMADXUJN-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccon1 ZINC000357944469 386870987 /nfs/dbraw/zinc/87/09/87/386870987.db2.gz NFWHWKPTEHMTHN-VIFPVBQESA-N 1 2 234.259 1.139 20 0 BDADLO CSCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357952398 386872598 /nfs/dbraw/zinc/87/25/98/386872598.db2.gz SDWZBMXEUNGGSB-UHFFFAOYSA-N 1 2 238.316 1.299 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000334836926 386878049 /nfs/dbraw/zinc/87/80/49/386878049.db2.gz PGPSUKZCWWAASE-KCJUWKMLSA-N 1 2 238.287 1.713 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000334836926 386878051 /nfs/dbraw/zinc/87/80/51/386878051.db2.gz PGPSUKZCWWAASE-KCJUWKMLSA-N 1 2 238.287 1.713 20 0 BDADLO Nc1c(NC2CC=CC2)[nH+]cnc1-n1cccn1 ZINC000301775654 386878112 /nfs/dbraw/zinc/87/81/12/386878112.db2.gz HKRGHSPYCFWFOK-UHFFFAOYSA-N 1 2 242.286 1.375 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc[nH]2)[C@@H]1[C@H]1CCCO1 ZINC000334839563 386881486 /nfs/dbraw/zinc/88/14/86/386881486.db2.gz KCHLKQVENPQMTH-ZYHUDNBSSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)[C@@H]1[C@H]1CCCO1 ZINC000334839563 386881491 /nfs/dbraw/zinc/88/14/91/386881491.db2.gz KCHLKQVENPQMTH-ZYHUDNBSSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)CN(Cc2[nH]cc[nH+]2)[C@@H]1[C@H]1CCCO1 ZINC000334839563 386881496 /nfs/dbraw/zinc/88/14/96/386881496.db2.gz KCHLKQVENPQMTH-ZYHUDNBSSA-N 1 2 235.331 1.799 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H](F)C1 ZINC000334840081 386883892 /nfs/dbraw/zinc/88/38/92/386883892.db2.gz LCOJFLZXNYHCDU-JTQLQIEISA-N 1 2 233.246 1.518 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000335756326 386884625 /nfs/dbraw/zinc/88/46/25/386884625.db2.gz YSJIRKYWTFVPGB-RYUDHWBXSA-N 1 2 247.342 1.909 20 0 BDADLO Nc1nc(NCc2ccon2)[nH+]c2ccccc12 ZINC000301904028 386889605 /nfs/dbraw/zinc/88/96/05/386889605.db2.gz PHZCJESSFCTQSE-UHFFFAOYSA-N 1 2 241.254 1.812 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334860252 386913693 /nfs/dbraw/zinc/91/36/93/386913693.db2.gz UHPQRTBKUAPDMP-LLVKDONJSA-N 1 2 213.252 1.758 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@H](CF)C1 ZINC000334860252 386913695 /nfs/dbraw/zinc/91/36/95/386913695.db2.gz UHPQRTBKUAPDMP-LLVKDONJSA-N 1 2 213.252 1.758 20 0 BDADLO C[N@H+](CC[C@H]1CCCCO1)Cc1nnc[nH]1 ZINC000330855617 386913779 /nfs/dbraw/zinc/91/37/79/386913779.db2.gz RZGFYYNCXJBXNX-SNVBAGLBSA-N 1 2 224.308 1.196 20 0 BDADLO C[N@@H+](CC[C@H]1CCCCO1)Cc1nnc[nH]1 ZINC000330855617 386913781 /nfs/dbraw/zinc/91/37/81/386913781.db2.gz RZGFYYNCXJBXNX-SNVBAGLBSA-N 1 2 224.308 1.196 20 0 BDADLO COC(=O)c1occc1C[N@H+](C)C1CC(O)C1 ZINC000331759013 386896268 /nfs/dbraw/zinc/89/62/68/386896268.db2.gz ILSUUQSPEADOLR-UHFFFAOYSA-N 1 2 239.271 1.021 20 0 BDADLO COC(=O)c1occc1C[N@@H+](C)C1CC(O)C1 ZINC000331759013 386896273 /nfs/dbraw/zinc/89/62/73/386896273.db2.gz ILSUUQSPEADOLR-UHFFFAOYSA-N 1 2 239.271 1.021 20 0 BDADLO CC[C@@H](COC)[NH2+]Cc1noc(C2CC2)n1 ZINC000336739766 386898008 /nfs/dbraw/zinc/89/80/08/386898008.db2.gz PKJQLRPOFSGOFY-VIFPVBQESA-N 1 2 225.292 1.462 20 0 BDADLO C[C@H](CF)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334851779 386902451 /nfs/dbraw/zinc/90/24/51/386902451.db2.gz JOUHAZAXBWNGCJ-SFYZADRCSA-N 1 2 225.267 1.304 20 0 BDADLO C[C@H](CF)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334851779 386902453 /nfs/dbraw/zinc/90/24/53/386902453.db2.gz JOUHAZAXBWNGCJ-SFYZADRCSA-N 1 2 225.267 1.304 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000335762471 386902613 /nfs/dbraw/zinc/90/26/13/386902613.db2.gz SYFCMSZZSRUZCW-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000335762471 386902617 /nfs/dbraw/zinc/90/26/17/386902617.db2.gz SYFCMSZZSRUZCW-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1cnc(C[N@H+]2CC(C)(C)OC[C@@H]2C)o1 ZINC000335765200 386906138 /nfs/dbraw/zinc/90/61/38/386906138.db2.gz DFUYXCMJSOQAKL-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cnc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)o1 ZINC000335765200 386906143 /nfs/dbraw/zinc/90/61/43/386906143.db2.gz DFUYXCMJSOQAKL-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO CCOCC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352891395 386913414 /nfs/dbraw/zinc/91/34/14/386913414.db2.gz CRCFNOKTEYXCPC-PGUXBMHVSA-N 1 2 233.377 1.254 20 0 BDADLO CCOCC[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352891395 386913417 /nfs/dbraw/zinc/91/34/17/386913417.db2.gz CRCFNOKTEYXCPC-PGUXBMHVSA-N 1 2 233.377 1.254 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334868211 386925910 /nfs/dbraw/zinc/92/59/10/386925910.db2.gz LRZLKXMVSVPJAN-UWVGGRQHSA-N 1 2 249.314 1.583 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358385677 386947531 /nfs/dbraw/zinc/94/75/31/386947531.db2.gz LYTCGJWMKWWMFT-NXEZZACHSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358385677 386947533 /nfs/dbraw/zinc/94/75/33/386947533.db2.gz LYTCGJWMKWWMFT-NXEZZACHSA-N 1 2 235.331 1.819 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000336762610 386930284 /nfs/dbraw/zinc/93/02/84/386930284.db2.gz NZTORQZRKANQJZ-LPEHRKFASA-N 1 2 231.361 1.668 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@@H](CO)C2)cc[nH+]1 ZINC000398639139 386931816 /nfs/dbraw/zinc/93/18/16/386931816.db2.gz VVCQVEROWVPTNA-MWLCHTKSSA-N 1 2 221.304 1.240 20 0 BDADLO CC(C)c1nc(C[N@@H+](C[C@@H](C)O)C(C)C)no1 ZINC000304001843 386931962 /nfs/dbraw/zinc/93/19/62/386931962.db2.gz RKEJDSASENSTTH-SNVBAGLBSA-N 1 2 241.335 1.784 20 0 BDADLO CC(C)c1nc(C[N@H+](C[C@@H](C)O)C(C)C)no1 ZINC000304001843 386931966 /nfs/dbraw/zinc/93/19/66/386931966.db2.gz RKEJDSASENSTTH-SNVBAGLBSA-N 1 2 241.335 1.784 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCc2ccccc21 ZINC000334818965 386947730 /nfs/dbraw/zinc/94/77/30/386947730.db2.gz PPHKRADTSMHSSQ-LBPRGKRZSA-N 1 2 248.301 1.620 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCc2ccccc21 ZINC000334818965 386947733 /nfs/dbraw/zinc/94/77/33/386947733.db2.gz PPHKRADTSMHSSQ-LBPRGKRZSA-N 1 2 248.301 1.620 20 0 BDADLO Cc1nc(C)c(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000358334770 386937536 /nfs/dbraw/zinc/93/75/36/386937536.db2.gz HOQMQLFCKBBCNQ-UHFFFAOYSA-N 1 2 233.227 1.066 20 0 BDADLO O=C(CCc1ccncc1)Nc1cc[nH+]cc1O ZINC000358362068 386941416 /nfs/dbraw/zinc/94/14/16/386941416.db2.gz WUVRAOWBGQYYQL-UHFFFAOYSA-N 1 2 243.266 1.175 20 0 BDADLO CS[C@H](C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000358441089 386956238 /nfs/dbraw/zinc/95/62/38/386956238.db2.gz PPQGFFBNTQBFEF-MRVPVSSYSA-N 1 2 227.333 1.558 20 0 BDADLO CS[C@H](C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000358441089 386956240 /nfs/dbraw/zinc/95/62/40/386956240.db2.gz PPQGFFBNTQBFEF-MRVPVSSYSA-N 1 2 227.333 1.558 20 0 BDADLO CC[C@@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000331084489 386956305 /nfs/dbraw/zinc/95/63/05/386956305.db2.gz PVNWXMNJBFHCMU-MRVPVSSYSA-N 1 2 208.261 1.584 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000368392704 386966916 /nfs/dbraw/zinc/96/69/16/386966916.db2.gz JYOKBDRXCQEAJV-MNOVXSKESA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000368392704 386966919 /nfs/dbraw/zinc/96/69/19/386966919.db2.gz JYOKBDRXCQEAJV-MNOVXSKESA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000368392704 386966921 /nfs/dbraw/zinc/96/69/21/386966921.db2.gz JYOKBDRXCQEAJV-MNOVXSKESA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000368392704 386966926 /nfs/dbraw/zinc/96/69/26/386966926.db2.gz JYOKBDRXCQEAJV-MNOVXSKESA-N 1 2 238.335 1.349 20 0 BDADLO Cc1ccc(NC(=O)c2ccnnc2)c(C)[nH+]1 ZINC000341855044 386974069 /nfs/dbraw/zinc/97/40/69/386974069.db2.gz ZLEMWKJULAHWMY-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC=CCC1 ZINC000334900295 386974820 /nfs/dbraw/zinc/97/48/20/386974820.db2.gz VRCPSFMKAJYZRN-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO CCCCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332395310 386976502 /nfs/dbraw/zinc/97/65/02/386976502.db2.gz IVEXFIUQGDKOMG-MNOVXSKESA-N 1 2 238.335 1.757 20 0 BDADLO CCCCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332395310 386976507 /nfs/dbraw/zinc/97/65/07/386976507.db2.gz IVEXFIUQGDKOMG-MNOVXSKESA-N 1 2 238.335 1.757 20 0 BDADLO CCCCC[N@@H+]1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000332395310 386976513 /nfs/dbraw/zinc/97/65/13/386976513.db2.gz IVEXFIUQGDKOMG-MNOVXSKESA-N 1 2 238.335 1.757 20 0 BDADLO CCCCC[N@H+]1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000332395310 386976521 /nfs/dbraw/zinc/97/65/21/386976521.db2.gz IVEXFIUQGDKOMG-MNOVXSKESA-N 1 2 238.335 1.757 20 0 BDADLO CCN1CC[N@H+](Cc2cccnc2C)[C@@H](C)C1=O ZINC000334914492 386987601 /nfs/dbraw/zinc/98/76/01/386987601.db2.gz PTEBUVNLSKDWNA-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cccnc2C)[C@@H](C)C1=O ZINC000334914492 386987605 /nfs/dbraw/zinc/98/76/05/386987605.db2.gz PTEBUVNLSKDWNA-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO FC(F)OC[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000353016608 386988854 /nfs/dbraw/zinc/98/88/54/386988854.db2.gz ASRZBJKHVDDKNL-QMMMGPOBSA-N 1 2 231.246 1.471 20 0 BDADLO FC(F)OC[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000353016608 386988861 /nfs/dbraw/zinc/98/88/61/386988861.db2.gz ASRZBJKHVDDKNL-QMMMGPOBSA-N 1 2 231.246 1.471 20 0 BDADLO C(C[N@@H+]1CCO[C@H]2C[C@H]21)O[C@H]1CCCCO1 ZINC000368630990 386995122 /nfs/dbraw/zinc/99/51/22/386995122.db2.gz GDNRXJSJGWDNKL-WOPDTQHZSA-N 1 2 227.304 1.003 20 0 BDADLO C(C[N@H+]1CCO[C@H]2C[C@H]21)O[C@H]1CCCCO1 ZINC000368630990 386995126 /nfs/dbraw/zinc/99/51/26/386995126.db2.gz GDNRXJSJGWDNKL-WOPDTQHZSA-N 1 2 227.304 1.003 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000332701386 387004129 /nfs/dbraw/zinc/00/41/29/387004129.db2.gz XBFVQZZKOCADQE-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000332701386 387004132 /nfs/dbraw/zinc/00/41/32/387004132.db2.gz XBFVQZZKOCADQE-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccc(F)nc1)C2 ZINC000368739366 387006637 /nfs/dbraw/zinc/00/66/37/387006637.db2.gz CBQJMUXXVFPXCU-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC(N)=O ZINC000369181525 387030613 /nfs/dbraw/zinc/03/06/13/387030613.db2.gz ZWCFNCMLVOSNDC-UHIISALHSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC(N)=O ZINC000369181525 387030616 /nfs/dbraw/zinc/03/06/16/387030616.db2.gz ZWCFNCMLVOSNDC-UHIISALHSA-N 1 2 248.326 1.322 20 0 BDADLO Cc1cc(NCC2(CO)CC3(CCC3)C2)nc[nH+]1 ZINC000333397579 387032489 /nfs/dbraw/zinc/03/24/89/387032489.db2.gz DYNFQCSOLZYMIO-UHFFFAOYSA-N 1 2 247.342 1.562 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000369390326 387042027 /nfs/dbraw/zinc/04/20/27/387042027.db2.gz ZEBRHAGWCLNYOS-NXEZZACHSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000369390326 387042033 /nfs/dbraw/zinc/04/20/33/387042033.db2.gz ZEBRHAGWCLNYOS-NXEZZACHSA-N 1 2 211.261 1.034 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC1 ZINC000096643139 387043423 /nfs/dbraw/zinc/04/34/23/387043423.db2.gz YHTXBRHCTGEGEL-JTQLQIEISA-N 1 2 219.288 1.068 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC1 ZINC000096643138 387043600 /nfs/dbraw/zinc/04/36/00/387043600.db2.gz YHTXBRHCTGEGEL-SNVBAGLBSA-N 1 2 219.288 1.068 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H]1C1CC1 ZINC000334979107 387066783 /nfs/dbraw/zinc/06/67/83/387066783.db2.gz CKUHNCILFBMXFC-LBPRGKRZSA-N 1 2 231.299 1.828 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H]1CCCO1 ZINC000333989423 387048743 /nfs/dbraw/zinc/04/87/43/387048743.db2.gz FZYJTAUAUFGTJD-KOLCDFICSA-N 1 2 237.303 1.406 20 0 BDADLO O=C(CC[C@@H]1CCCO1)Nc1cc[nH+]cc1O ZINC000109889306 387058779 /nfs/dbraw/zinc/05/87/79/387058779.db2.gz FXMLYZLZNVKNCR-VIFPVBQESA-N 1 2 236.271 1.685 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000418035526 387060539 /nfs/dbraw/zinc/06/05/39/387060539.db2.gz VEOFRGCSLQPKAR-BXUZGUMPSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000418035526 387060546 /nfs/dbraw/zinc/06/05/46/387060546.db2.gz VEOFRGCSLQPKAR-BXUZGUMPSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000418035526 387060548 /nfs/dbraw/zinc/06/05/48/387060548.db2.gz VEOFRGCSLQPKAR-BXUZGUMPSA-N 1 2 249.358 1.902 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC000336223115 387063822 /nfs/dbraw/zinc/06/38/22/387063822.db2.gz DOADVKHMVRHFOZ-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC000336223115 387063826 /nfs/dbraw/zinc/06/38/26/387063826.db2.gz DOADVKHMVRHFOZ-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC000336223116 387064024 /nfs/dbraw/zinc/06/40/24/387064024.db2.gz DOADVKHMVRHFOZ-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@H](F)C2)n1 ZINC000336223116 387064026 /nfs/dbraw/zinc/06/40/26/387064026.db2.gz DOADVKHMVRHFOZ-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC1(F)F ZINC000336223711 387064323 /nfs/dbraw/zinc/06/43/23/387064323.db2.gz RNAGAYJPJSXXIA-MRVPVSSYSA-N 1 2 226.226 1.660 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000336222870 387064418 /nfs/dbraw/zinc/06/44/18/387064418.db2.gz QGCYXHZUHUTDNU-JTQLQIEISA-N 1 2 223.247 1.959 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000336222870 387064421 /nfs/dbraw/zinc/06/44/21/387064421.db2.gz QGCYXHZUHUTDNU-JTQLQIEISA-N 1 2 223.247 1.959 20 0 BDADLO CC[C@H](COC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494510 387065460 /nfs/dbraw/zinc/06/54/60/387065460.db2.gz URWDGNSIRMXMJL-NXEZZACHSA-N 1 2 231.336 1.731 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494328 387065495 /nfs/dbraw/zinc/06/54/95/387065495.db2.gz UALBUMYTZRTJCW-UWVGGRQHSA-N 1 2 231.336 1.731 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2c(C)noc2C)C1 ZINC000425371514 387011543 /nfs/dbraw/zinc/01/15/43/387011543.db2.gz GWCIHWPOEALCJL-UHFFFAOYSA-N 1 2 238.287 1.286 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1snnc1C ZINC000514606455 387012522 /nfs/dbraw/zinc/01/25/22/387012522.db2.gz XHQZQFXQDQTEHA-LLVKDONJSA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1snnc1C ZINC000514606455 387012525 /nfs/dbraw/zinc/01/25/25/387012525.db2.gz XHQZQFXQDQTEHA-LLVKDONJSA-N 1 2 241.360 1.847 20 0 BDADLO FC(F)CC1C[NH+](Cc2cocn2)C1 ZINC000425367844 387026822 /nfs/dbraw/zinc/02/68/22/387026822.db2.gz VFRJTPKCVIMFSS-UHFFFAOYSA-N 1 2 202.204 1.762 20 0 BDADLO c1nnc([C@H]2CCN(c3cccc[nH+]3)C2)[nH]1 ZINC000333374073 387029796 /nfs/dbraw/zinc/02/97/96/387029796.db2.gz AMEBCUAKIDEOLQ-VIFPVBQESA-N 1 2 215.260 1.194 20 0 BDADLO O=C(NC1CCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334982595 387070519 /nfs/dbraw/zinc/07/05/19/387070519.db2.gz ZWCAYVVZMAVNSF-SNVBAGLBSA-N 1 2 248.330 1.509 20 0 BDADLO O=C(NC1CCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334982595 387070523 /nfs/dbraw/zinc/07/05/23/387070523.db2.gz ZWCAYVVZMAVNSF-SNVBAGLBSA-N 1 2 248.330 1.509 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](O)C2)nn1C ZINC000334984895 387071468 /nfs/dbraw/zinc/07/14/68/387071468.db2.gz JWNSBTLTVFJFHA-SECBINFHSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H](O)C2)nn1C ZINC000334984895 387071472 /nfs/dbraw/zinc/07/14/72/387071472.db2.gz JWNSBTLTVFJFHA-SECBINFHSA-N 1 2 243.738 1.339 20 0 BDADLO CCC[C@](C)(O)CNc1cc[nH+]c(C(C)C)n1 ZINC000352313841 387075064 /nfs/dbraw/zinc/07/50/64/387075064.db2.gz GZLUGDXKILWANQ-ZDUSSCGKSA-N 1 2 237.347 1.985 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H]2F)c2[nH+]ccn21 ZINC000424866783 387078779 /nfs/dbraw/zinc/07/87/79/387078779.db2.gz GDFKBYAOVSBKDX-SREGZZRCSA-N 1 2 237.278 1.753 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1COC(C)(C)C1 ZINC000418088131 387096555 /nfs/dbraw/zinc/09/65/55/387096555.db2.gz JKNIKHNNPDNYMR-QWRGUYRKSA-N 1 2 241.331 1.485 20 0 BDADLO CC[C@@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000335006815 387100745 /nfs/dbraw/zinc/10/07/45/387100745.db2.gz VHYXGJLEVIXHGK-NSHDSACASA-N 1 2 247.298 1.529 20 0 BDADLO CC(C)[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000359600078 387131419 /nfs/dbraw/zinc/13/14/19/387131419.db2.gz MHYIKDWIJOKHJM-RKDXNWHRSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000359600078 387131423 /nfs/dbraw/zinc/13/14/23/387131423.db2.gz MHYIKDWIJOKHJM-RKDXNWHRSA-N 1 2 241.253 1.266 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)c1cc[nH]c1 ZINC000068277966 387103164 /nfs/dbraw/zinc/10/31/64/387103164.db2.gz JTSFGWYKXJSKOY-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478019 387105635 /nfs/dbraw/zinc/10/56/35/387105635.db2.gz AGXCSIXKJWAPMR-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478019 387105637 /nfs/dbraw/zinc/10/56/37/387105637.db2.gz AGXCSIXKJWAPMR-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000188911304 387110083 /nfs/dbraw/zinc/11/00/83/387110083.db2.gz HQATUMMPECADGQ-LBPRGKRZSA-N 1 2 236.315 1.626 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000188911304 387110086 /nfs/dbraw/zinc/11/00/86/387110086.db2.gz HQATUMMPECADGQ-LBPRGKRZSA-N 1 2 236.315 1.626 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193391748 387111886 /nfs/dbraw/zinc/11/18/86/387111886.db2.gz FQLDLFRBKOYZDS-LLVKDONJSA-N 1 2 223.324 1.222 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193391748 387111891 /nfs/dbraw/zinc/11/18/91/387111891.db2.gz FQLDLFRBKOYZDS-LLVKDONJSA-N 1 2 223.324 1.222 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000353091175 387115500 /nfs/dbraw/zinc/11/55/00/387115500.db2.gz CDZVDNDAYAIOQE-GDPRMGEGSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000353091175 387115502 /nfs/dbraw/zinc/11/55/02/387115502.db2.gz CDZVDNDAYAIOQE-GDPRMGEGSA-N 1 2 224.304 1.981 20 0 BDADLO Cn1ccnc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359526770 387117521 /nfs/dbraw/zinc/11/75/21/387117521.db2.gz DSMJQMBDECVBBL-GFCCVEGCSA-N 1 2 249.289 1.382 20 0 BDADLO FC(F)(F)c1nsc(-n2cc[nH+]c2)n1 ZINC000228812765 387118428 /nfs/dbraw/zinc/11/84/28/387118428.db2.gz LIZGBCKICQHYPF-UHFFFAOYSA-N 1 2 220.179 1.743 20 0 BDADLO [NH3+][C@H](C(=O)NC1CCC1)c1c(F)cccc1F ZINC000335028627 387122548 /nfs/dbraw/zinc/12/25/48/387122548.db2.gz XJHIVNKUAFMCHC-NSHDSACASA-N 1 2 240.253 1.633 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC(C)(C)O)n1C ZINC000114727551 387129292 /nfs/dbraw/zinc/12/92/92/387129292.db2.gz AXAOMMGALJRXLQ-UHFFFAOYSA-N 1 2 240.351 1.141 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC(C)(C)O)n1C ZINC000114727551 387129297 /nfs/dbraw/zinc/12/92/97/387129297.db2.gz AXAOMMGALJRXLQ-UHFFFAOYSA-N 1 2 240.351 1.141 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000353171586 387147418 /nfs/dbraw/zinc/14/74/18/387147418.db2.gz LYMUNXJIIWETMY-JTQLQIEISA-N 1 2 229.274 1.921 20 0 BDADLO Cc1cnn(CC[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000353171586 387147420 /nfs/dbraw/zinc/14/74/20/387147420.db2.gz LYMUNXJIIWETMY-JTQLQIEISA-N 1 2 229.274 1.921 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353168497 387148366 /nfs/dbraw/zinc/14/83/66/387148366.db2.gz CHNHVTQPGBWYQM-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353168497 387148371 /nfs/dbraw/zinc/14/83/71/387148371.db2.gz CHNHVTQPGBWYQM-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1noc(C[N@H+]2CCS[C@@H](C)[C@H]2C)n1 ZINC000336321623 387150297 /nfs/dbraw/zinc/15/02/97/387150297.db2.gz WBEJALINGPXJMO-SFYZADRCSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1noc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)n1 ZINC000336321623 387150302 /nfs/dbraw/zinc/15/03/02/387150302.db2.gz WBEJALINGPXJMO-SFYZADRCSA-N 1 2 227.333 1.704 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)c1ccc(O)cc1 ZINC000336327981 387157461 /nfs/dbraw/zinc/15/74/61/387157461.db2.gz UIMSZDLSCJXNMD-MRXNPFEDSA-N 1 2 236.296 1.434 20 0 BDADLO O=C1C[N@@H+](CC2CC2)CCN1CC(F)(F)F ZINC000353268595 387168253 /nfs/dbraw/zinc/16/82/53/387168253.db2.gz RYUKANRENLDVIC-UHFFFAOYSA-N 1 2 236.237 1.103 20 0 BDADLO O=C1C[N@H+](CC2CC2)CCN1CC(F)(F)F ZINC000353268595 387168257 /nfs/dbraw/zinc/16/82/57/387168257.db2.gz RYUKANRENLDVIC-UHFFFAOYSA-N 1 2 236.237 1.103 20 0 BDADLO CCO[C@@H]1COCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000353278600 387170077 /nfs/dbraw/zinc/17/00/77/387170077.db2.gz RJVVFMJQVUBEPC-WDEREUQCSA-N 1 2 237.303 1.391 20 0 BDADLO CN(CC1(O)CCC1)c1cc[nH+]c2ccncc21 ZINC000353279721 387170095 /nfs/dbraw/zinc/17/00/95/387170095.db2.gz WZNFNTLLMYLZCH-UHFFFAOYSA-N 1 2 243.310 1.981 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229508067 387174858 /nfs/dbraw/zinc/17/48/58/387174858.db2.gz WUJKMTCCWABJSG-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229508067 387174863 /nfs/dbraw/zinc/17/48/63/387174863.db2.gz WUJKMTCCWABJSG-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO CCCCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371280651 387183456 /nfs/dbraw/zinc/18/34/56/387183456.db2.gz RJWHNQIHEPYJRP-SNVBAGLBSA-N 1 2 235.331 1.964 20 0 BDADLO CCCCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371280651 387183462 /nfs/dbraw/zinc/18/34/62/387183462.db2.gz RJWHNQIHEPYJRP-SNVBAGLBSA-N 1 2 235.331 1.964 20 0 BDADLO CN(Cc1ccnn1C)c1cc[nH+]c(C2CC2)n1 ZINC000359897098 387185706 /nfs/dbraw/zinc/18/57/06/387185706.db2.gz IMZJHLCPTSYMLG-UHFFFAOYSA-N 1 2 243.314 1.724 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000359917615 387190914 /nfs/dbraw/zinc/19/09/14/387190914.db2.gz NVIZEWSLGXTOAN-MWLCHTKSSA-N 1 2 236.315 1.669 20 0 BDADLO COCCC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493068829 533213320 /nfs/dbraw/zinc/21/33/20/533213320.db2.gz FANMBDCNPZEIOF-ONEGZZNKSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2cccc(O)c2)CCN1C ZINC000336309941 387138399 /nfs/dbraw/zinc/13/83/99/387138399.db2.gz LQEVIPDVEJEWLG-NEPJUHHUSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(O)c2)CCN1C ZINC000336309941 387138403 /nfs/dbraw/zinc/13/84/03/387138403.db2.gz LQEVIPDVEJEWLG-NEPJUHHUSA-N 1 2 234.343 1.917 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000336371654 387203651 /nfs/dbraw/zinc/20/36/51/387203651.db2.gz MOXQPYOXVQSLNQ-GFCCVEGCSA-N 1 2 245.326 1.846 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000571939153 387207218 /nfs/dbraw/zinc/20/72/18/387207218.db2.gz LGOCVXIDMABYPW-KXUCPTDWSA-N 1 2 239.319 1.506 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300416643 387210116 /nfs/dbraw/zinc/21/01/16/387210116.db2.gz GNRQLLLQVPQTBK-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO CC[C@@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000571971460 387212285 /nfs/dbraw/zinc/21/22/85/387212285.db2.gz GOMZCOJUJGRIJF-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccoc1C ZINC000571981088 387215358 /nfs/dbraw/zinc/21/53/58/387215358.db2.gz BDNZIVJXYWRPDP-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccoc1C ZINC000571981088 387215364 /nfs/dbraw/zinc/21/53/64/387215364.db2.gz BDNZIVJXYWRPDP-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO O=C(C=C1CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371437509 387215486 /nfs/dbraw/zinc/21/54/86/387215486.db2.gz AUQXMOIQSPBPSC-JTQLQIEISA-N 1 2 231.299 1.494 20 0 BDADLO O=C(C=C1CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371437509 387215487 /nfs/dbraw/zinc/21/54/87/387215487.db2.gz AUQXMOIQSPBPSC-JTQLQIEISA-N 1 2 231.299 1.494 20 0 BDADLO Cc1nc(N[C@@H](CO)c2ccccc2)cc[nH+]1 ZINC000063001710 387220276 /nfs/dbraw/zinc/22/02/76/387220276.db2.gz FERXGQKLDPFFGL-LBPRGKRZSA-N 1 2 229.283 1.931 20 0 BDADLO Cc1nocc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000353513014 387221617 /nfs/dbraw/zinc/22/16/17/387221617.db2.gz DTBBKSLQEQJIFW-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1nocc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000353513014 387221625 /nfs/dbraw/zinc/22/16/25/387221625.db2.gz DTBBKSLQEQJIFW-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000360087374 387224021 /nfs/dbraw/zinc/22/40/21/387224021.db2.gz HEDKTJSYURZQRA-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000360087374 387224029 /nfs/dbraw/zinc/22/40/29/387224029.db2.gz HEDKTJSYURZQRA-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000336400745 387229446 /nfs/dbraw/zinc/22/94/46/387229446.db2.gz CESDNWZLHVIMRL-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000336400745 387229450 /nfs/dbraw/zinc/22/94/50/387229450.db2.gz CESDNWZLHVIMRL-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1csc2c1C[N@H+](Cc1cnnn1C)CC2 ZINC000371579871 387231998 /nfs/dbraw/zinc/23/19/98/387231998.db2.gz LWMLTWASSSTAJX-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1csc2c1C[N@@H+](Cc1cnnn1C)CC2 ZINC000371579871 387232003 /nfs/dbraw/zinc/23/20/03/387232003.db2.gz LWMLTWASSSTAJX-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO C[N@@H+]1CCO[C@@H](CSCC(=O)C2(C)CC2)C1 ZINC000572120034 387239306 /nfs/dbraw/zinc/23/93/06/387239306.db2.gz FLWCTYRHRXGCKC-SNVBAGLBSA-N 1 2 243.372 1.419 20 0 BDADLO C[N@H+]1CCO[C@@H](CSCC(=O)C2(C)CC2)C1 ZINC000572120034 387239309 /nfs/dbraw/zinc/23/93/09/387239309.db2.gz FLWCTYRHRXGCKC-SNVBAGLBSA-N 1 2 243.372 1.419 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000360185356 387241226 /nfs/dbraw/zinc/24/12/26/387241226.db2.gz YMQKFDZNWNPEMU-RKDXNWHRSA-N 1 2 207.277 1.462 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)OC(C)(C)C)CC2 ZINC000371702095 387241775 /nfs/dbraw/zinc/24/17/75/387241775.db2.gz CCTXEGOJWOVFNT-UHFFFAOYSA-N 1 2 237.303 1.942 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H](F)C1 ZINC000424665443 387241831 /nfs/dbraw/zinc/24/18/31/387241831.db2.gz NPGJPKFZEHWOSX-ZJUUUORDSA-N 1 2 239.294 1.597 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000336416109 387243601 /nfs/dbraw/zinc/24/36/01/387243601.db2.gz PRIXFXLJZQRLTP-CHWSQXEVSA-N 1 2 247.342 1.922 20 0 BDADLO CC(C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120458901 387246635 /nfs/dbraw/zinc/24/66/35/387246635.db2.gz QRVWXHREQYVDNH-LBPRGKRZSA-N 1 2 234.299 1.717 20 0 BDADLO C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1F)Cn1cc[nH+]c1 ZINC000424693174 387249176 /nfs/dbraw/zinc/24/91/76/387249176.db2.gz XFKGYDGMJAYGOE-SCVCMEIPSA-N 1 2 239.294 1.384 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000228664539 387249818 /nfs/dbraw/zinc/24/98/18/387249818.db2.gz SINANILFQBWIQA-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO Cn1nnc(C[N@H+](C)CCC2CCCCC2)n1 ZINC000193325721 387199877 /nfs/dbraw/zinc/19/98/77/387199877.db2.gz CMASRIHVKFTCLZ-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO Cn1nnc(C[N@@H+](C)CCC2CCCCC2)n1 ZINC000193325721 387199883 /nfs/dbraw/zinc/19/98/83/387199883.db2.gz CMASRIHVKFTCLZ-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO Cc1c([C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)cnn1C ZINC000371378098 387201074 /nfs/dbraw/zinc/20/10/74/387201074.db2.gz HHIPKJHJEONOPL-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1c([C@@H]2CCC[N@H+]2Cc2ncc[nH]2)cnn1C ZINC000371378098 387201077 /nfs/dbraw/zinc/20/10/77/387201077.db2.gz HHIPKJHJEONOPL-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO CN(CCC(C)(C)C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000648545401 387201371 /nfs/dbraw/zinc/20/13/71/387201371.db2.gz IZXNJKMRGFLAOD-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO CN(CCC(C)(C)C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000648545401 387201377 /nfs/dbraw/zinc/20/13/77/387201377.db2.gz IZXNJKMRGFLAOD-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO COc1nccc(NCc2c[nH+]cn2C(C)C)n1 ZINC000424714751 387256683 /nfs/dbraw/zinc/25/66/83/387256683.db2.gz FWHLWNOEHXGHLO-UHFFFAOYSA-N 1 2 247.302 1.297 20 0 BDADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cccnc1 ZINC000572177000 387256827 /nfs/dbraw/zinc/25/68/27/387256827.db2.gz MULOKINYJGPVBS-NSHDSACASA-N 1 2 247.342 1.601 20 0 BDADLO Cc1oncc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000336432264 387258619 /nfs/dbraw/zinc/25/86/19/387258619.db2.gz UAJCUGXCEQCQCJ-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1oncc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000336432264 387258621 /nfs/dbraw/zinc/25/86/21/387258621.db2.gz UAJCUGXCEQCQCJ-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@H]2C2CC2)nc[nH+]1 ZINC000230307793 387259325 /nfs/dbraw/zinc/25/93/25/387259325.db2.gz GNOBYZLBGDVIDA-JQWIXIFHSA-N 1 2 219.288 1.764 20 0 BDADLO CS(=O)(=O)CC[NH+]1CC2(C1)CCCCC2 ZINC000371953840 387260505 /nfs/dbraw/zinc/26/05/05/387260505.db2.gz MLDFEVFKIPESMH-UHFFFAOYSA-N 1 2 231.361 1.297 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000336439746 387264625 /nfs/dbraw/zinc/26/46/25/387264625.db2.gz ORJHYVWUTOPPIZ-UWVGGRQHSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000336439746 387264629 /nfs/dbraw/zinc/26/46/29/387264629.db2.gz ORJHYVWUTOPPIZ-UWVGGRQHSA-N 1 2 208.309 1.699 20 0 BDADLO CS[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353730899 387265542 /nfs/dbraw/zinc/26/55/42/387265542.db2.gz WKPVNJYFJVHERA-ZJUUUORDSA-N 1 2 241.360 1.387 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@H]12 ZINC000360339233 387265566 /nfs/dbraw/zinc/26/55/66/387265566.db2.gz WDDJGQWJUGLSOJ-YPMHNXCESA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccc(F)cc3)[C@H]12 ZINC000360339233 387265572 /nfs/dbraw/zinc/26/55/72/387265572.db2.gz WDDJGQWJUGLSOJ-YPMHNXCESA-N 1 2 249.285 1.963 20 0 BDADLO Cc1ccc(N2CC[N@H+](CC3CC3)CC2=O)o1 ZINC000372100628 387274798 /nfs/dbraw/zinc/27/47/98/387274798.db2.gz DJFMXNLGDVALER-UHFFFAOYSA-N 1 2 234.299 1.647 20 0 BDADLO Cc1ccc(N2CC[N@@H+](CC3CC3)CC2=O)o1 ZINC000372100628 387274802 /nfs/dbraw/zinc/27/48/02/387274802.db2.gz DJFMXNLGDVALER-UHFFFAOYSA-N 1 2 234.299 1.647 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1cccn1C ZINC000353806505 387277033 /nfs/dbraw/zinc/27/70/33/387277033.db2.gz PXAAPLHKUHJENV-GLKRBJQHSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1cccn1C ZINC000353806505 387277037 /nfs/dbraw/zinc/27/70/37/387277037.db2.gz PXAAPLHKUHJENV-GLKRBJQHSA-N 1 2 240.372 1.366 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC(C)C)CC2 ZINC000623931619 387281840 /nfs/dbraw/zinc/28/18/40/387281840.db2.gz DCXGGPGSDOGBSW-GFCCVEGCSA-N 1 2 249.358 1.868 20 0 BDADLO C[C@H](C(=O)Nc1ccccn1)[NH+]1CC(C)C1 ZINC000514746095 387284312 /nfs/dbraw/zinc/28/43/12/387284312.db2.gz BWROMBHVSXADPU-SNVBAGLBSA-N 1 2 219.288 1.360 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC12CCC2 ZINC000336457518 387284674 /nfs/dbraw/zinc/28/46/74/387284674.db2.gz XJISYTDNDVCZNL-LLVKDONJSA-N 1 2 248.330 1.610 20 0 BDADLO C[C@H](Cc1ccccc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000353907932 387295039 /nfs/dbraw/zinc/29/50/39/387295039.db2.gz IHXILDVBFJGHOW-LLVKDONJSA-N 1 2 243.310 1.905 20 0 BDADLO C[C@H](Cc1ccccc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000353907932 387295045 /nfs/dbraw/zinc/29/50/45/387295045.db2.gz IHXILDVBFJGHOW-LLVKDONJSA-N 1 2 243.310 1.905 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H](CO)CC(C)C)s1 ZINC000360494195 387299672 /nfs/dbraw/zinc/29/96/72/387299672.db2.gz CYKJTUCDURBNPE-JTQLQIEISA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H](CO)CC(C)C)s1 ZINC000360494195 387299675 /nfs/dbraw/zinc/29/96/75/387299675.db2.gz CYKJTUCDURBNPE-JTQLQIEISA-N 1 2 243.376 1.685 20 0 BDADLO CCONC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372486124 387306712 /nfs/dbraw/zinc/30/67/12/387306712.db2.gz HJSOJERSVJDNND-UHFFFAOYSA-N 1 2 238.291 1.250 20 0 BDADLO CCONC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372486124 387306717 /nfs/dbraw/zinc/30/67/17/387306717.db2.gz HJSOJERSVJDNND-UHFFFAOYSA-N 1 2 238.291 1.250 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncnn2CC(C)C)C1 ZINC000352544422 387307045 /nfs/dbraw/zinc/30/70/45/387307045.db2.gz ALMFOKZPHLTOLZ-NSHDSACASA-N 1 2 238.335 1.155 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncnn2CC(C)C)C1 ZINC000352544422 387307050 /nfs/dbraw/zinc/30/70/50/387307050.db2.gz ALMFOKZPHLTOLZ-NSHDSACASA-N 1 2 238.335 1.155 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncnn2CC(C)C)C1 ZINC000352544421 387308036 /nfs/dbraw/zinc/30/80/36/387308036.db2.gz ALMFOKZPHLTOLZ-LLVKDONJSA-N 1 2 238.335 1.155 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncnn2CC(C)C)C1 ZINC000352544421 387308039 /nfs/dbraw/zinc/30/80/39/387308039.db2.gz ALMFOKZPHLTOLZ-LLVKDONJSA-N 1 2 238.335 1.155 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(C)C)C2 ZINC000372551607 387308533 /nfs/dbraw/zinc/30/85/33/387308533.db2.gz VDKXPYHXUSMERE-JTQLQIEISA-N 1 2 221.304 1.279 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000336539348 387360550 /nfs/dbraw/zinc/36/05/50/387360550.db2.gz QFSYMTMINRXNMT-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cncc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000336539348 387360554 /nfs/dbraw/zinc/36/05/54/387360554.db2.gz QFSYMTMINRXNMT-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO Cn1c[nH+]cc1C[N@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000515356806 387369744 /nfs/dbraw/zinc/36/97/44/387369744.db2.gz JCMQTEIRNAAJON-UHFFFAOYSA-N 1 2 249.314 1.392 20 0 BDADLO Cn1c[nH+]cc1C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000515356806 387369750 /nfs/dbraw/zinc/36/97/50/387369750.db2.gz JCMQTEIRNAAJON-UHFFFAOYSA-N 1 2 249.314 1.392 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000515385820 387375574 /nfs/dbraw/zinc/37/55/74/387375574.db2.gz DHFHGBACQFTOPF-MDZLAQPJSA-N 1 2 247.342 1.750 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000287192854 387381976 /nfs/dbraw/zinc/38/19/76/387381976.db2.gz VWJZSQVDJZNERP-CYBMUJFWSA-N 1 2 246.314 1.292 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000336558790 387382410 /nfs/dbraw/zinc/38/24/10/387382410.db2.gz JSHCZSISIGQSMN-BDAKNGLRSA-N 1 2 240.282 1.110 20 0 BDADLO CC[C@@]1(C(C)C)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000514997547 387320514 /nfs/dbraw/zinc/32/05/14/387320514.db2.gz FYEMFYYRAAAZQU-JSGCOSHPSA-N 1 2 249.358 1.904 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC(c2cnccn2)CC1 ZINC000372696419 387323501 /nfs/dbraw/zinc/32/35/01/387323501.db2.gz UFABYXLWPQLZRA-JTQLQIEISA-N 1 2 249.314 1.218 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C(F)(F)F ZINC000360663059 387330703 /nfs/dbraw/zinc/33/07/03/387330703.db2.gz ZEGFYQVMCRCDPY-ZETCQYMHSA-N 1 2 249.236 1.420 20 0 BDADLO C[C@H](CC[NH3+])NC(=O)c1cc(F)c(O)c(F)c1 ZINC000423500175 387339829 /nfs/dbraw/zinc/33/98/29/387339829.db2.gz CVIHJMXZHVWZPK-ZCFIWIBFSA-N 1 2 244.241 1.138 20 0 BDADLO Cn1nccc1C[NH2+][C@H]1COc2cccc(F)c21 ZINC000360710671 387340653 /nfs/dbraw/zinc/34/06/53/387340653.db2.gz IMSKMBANJIWSBT-NSHDSACASA-N 1 2 247.273 1.783 20 0 BDADLO CC(C)C(C)(C)NC(=O)CCc1c[nH+]cn1C ZINC000515194126 387347199 /nfs/dbraw/zinc/34/71/99/387347199.db2.gz QFPGIXFJAALVGG-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@@H]2CO)o1 ZINC000303383154 387349039 /nfs/dbraw/zinc/34/90/39/387349039.db2.gz TUGYVWYXGGFFJT-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCC[C@@H]2CO)o1 ZINC000303383154 387349041 /nfs/dbraw/zinc/34/90/41/387349041.db2.gz TUGYVWYXGGFFJT-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@H]2CO)o1 ZINC000303383153 387349152 /nfs/dbraw/zinc/34/91/52/387349152.db2.gz TUGYVWYXGGFFJT-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCC[C@H]2CO)o1 ZINC000303383153 387349155 /nfs/dbraw/zinc/34/91/55/387349155.db2.gz TUGYVWYXGGFFJT-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](O)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000354734998 387423903 /nfs/dbraw/zinc/42/39/03/387423903.db2.gz VIHYNKIGNOUWBU-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO C[C@H](C(=O)NCCCn1cc[nH+]c1)C(F)(F)F ZINC000361438523 387461453 /nfs/dbraw/zinc/46/14/53/387461453.db2.gz ADNIMQUIZKZDNY-MRVPVSSYSA-N 1 2 249.236 1.588 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000374329929 387442038 /nfs/dbraw/zinc/44/20/38/387442038.db2.gz GTCZGGMNMBYJNM-JTQLQIEISA-N 1 2 244.298 1.378 20 0 BDADLO Cc1nc(N2CCOC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000374332882 387443245 /nfs/dbraw/zinc/44/32/45/387443245.db2.gz PEHTYFQBIBBUPF-SECBINFHSA-N 1 2 235.331 1.875 20 0 BDADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCCO1 ZINC000516001707 387447599 /nfs/dbraw/zinc/44/75/99/387447599.db2.gz KSLKDUMSXLQGJH-CYBMUJFWSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374388537 387448410 /nfs/dbraw/zinc/44/84/10/387448410.db2.gz SJDXNUJRCSIZRZ-OUAUKWLOSA-N 1 2 233.315 1.392 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC000374371454 387448866 /nfs/dbraw/zinc/44/88/66/387448866.db2.gz YPBABMLZZSMXDK-GFCCVEGCSA-N 1 2 245.326 1.846 20 0 BDADLO CCC[C@H]([NH2+][C@H](COC)CC(C)C)C(=O)OC ZINC000354929238 387449961 /nfs/dbraw/zinc/44/99/61/387449961.db2.gz LFQMIOKKXUWTCF-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@H]2CCOC2)o1 ZINC000361406635 387457446 /nfs/dbraw/zinc/45/74/46/387457446.db2.gz ATUXLRNGSVUTGM-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@H]2CCOC2)o1 ZINC000361406635 387457451 /nfs/dbraw/zinc/45/74/51/387457451.db2.gz ATUXLRNGSVUTGM-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO C[C@H](CC(=O)Nc1cccnc1)n1cc[nH+]c1 ZINC000515488326 387386327 /nfs/dbraw/zinc/38/63/27/387386327.db2.gz RJDCYFYFDDNTDM-SNVBAGLBSA-N 1 2 230.271 1.868 20 0 BDADLO C[C@@H](CC(=O)Nc1cccnc1)n1cc[nH+]c1 ZINC000515488325 387386573 /nfs/dbraw/zinc/38/65/73/387386573.db2.gz RJDCYFYFDDNTDM-JTQLQIEISA-N 1 2 230.271 1.868 20 0 BDADLO Cc1cnccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000303686576 387387088 /nfs/dbraw/zinc/38/70/88/387387088.db2.gz NZCPHFHWUKOZET-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1cnccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000303686576 387387094 /nfs/dbraw/zinc/38/70/94/387387094.db2.gz NZCPHFHWUKOZET-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc([S@](C)=O)cc1 ZINC000121673998 387392210 /nfs/dbraw/zinc/39/22/10/387392210.db2.gz FPFIJOSSXYQQLG-QGZVFWFLSA-N 1 2 249.339 1.770 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336568744 387393743 /nfs/dbraw/zinc/39/37/43/387393743.db2.gz BMCRWWVXDBWJPP-NXEZZACHSA-N 1 2 236.319 1.296 20 0 BDADLO O=C(COC(F)F)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000354555775 387394131 /nfs/dbraw/zinc/39/41/31/387394131.db2.gz ATQXGCCQYBIWSC-SSDOTTSWSA-N 1 2 245.229 1.312 20 0 BDADLO c1nc(N2CCCOCC2)cc(N2CCCC2)[nH+]1 ZINC000373886886 387400501 /nfs/dbraw/zinc/40/05/01/387400501.db2.gz VUWJGZNKCMKNHV-UHFFFAOYSA-N 1 2 248.330 1.304 20 0 BDADLO c1nc(N2CCCC2)cc(N2CCCOCC2)[nH+]1 ZINC000373886886 387400508 /nfs/dbraw/zinc/40/05/08/387400508.db2.gz VUWJGZNKCMKNHV-UHFFFAOYSA-N 1 2 248.330 1.304 20 0 BDADLO COCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000516297421 387497387 /nfs/dbraw/zinc/49/73/87/387497387.db2.gz CHSZGMBYRVWWQQ-NSHDSACASA-N 1 2 239.319 1.377 20 0 BDADLO Cc1nc(N(CCCCO)C2CC2)cc[nH+]1 ZINC000085689264 387500217 /nfs/dbraw/zinc/50/02/17/387500217.db2.gz XEFVMUWJUMUCNI-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccoc1 ZINC000355230153 387501299 /nfs/dbraw/zinc/50/12/99/387501299.db2.gz VKQGQWYEPLCFOZ-SNVBAGLBSA-N 1 2 233.271 1.224 20 0 BDADLO COC(=O)C[N@H+](C/C=C\c1ccncc1)C1CC1 ZINC000355229674 387502248 /nfs/dbraw/zinc/50/22/48/387502248.db2.gz XFGMFIALRWFWTJ-IHWYPQMZSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)C[N@@H+](C/C=C\c1ccncc1)C1CC1 ZINC000355229674 387502250 /nfs/dbraw/zinc/50/22/50/387502250.db2.gz XFGMFIALRWFWTJ-IHWYPQMZSA-N 1 2 246.310 1.732 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000122286443 387503717 /nfs/dbraw/zinc/50/37/17/387503717.db2.gz UBCCKCZFWYRAGF-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1cncs1 ZINC000355287036 387513891 /nfs/dbraw/zinc/51/38/91/387513891.db2.gz HUNMDVQFXLGUIL-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1cncs1 ZINC000355287036 387513895 /nfs/dbraw/zinc/51/38/95/387513895.db2.gz HUNMDVQFXLGUIL-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CC(C)(NC(=O)[C@H]1C[C@]12CCOC2)c1[nH]cc[nH+]1 ZINC000516481840 387514591 /nfs/dbraw/zinc/51/45/91/387514591.db2.gz SGNBQLOPQICKBV-RNCFNFMXSA-N 1 2 249.314 1.188 20 0 BDADLO CCCCOCC[N@H+](C)[C@H](C)C(=O)OC ZINC000361643286 387516517 /nfs/dbraw/zinc/51/65/17/387516517.db2.gz MGZYDRKIDNKQQY-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO CCCCOCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000361643286 387516522 /nfs/dbraw/zinc/51/65/22/387516522.db2.gz MGZYDRKIDNKQQY-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO Cc1ocnc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355322861 387519625 /nfs/dbraw/zinc/51/96/25/387519625.db2.gz VSZIIGUMSPJRTK-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)C1CCC1 ZINC000361696854 387523113 /nfs/dbraw/zinc/52/31/13/387523113.db2.gz SVPXWCYRDCHAAY-NSHDSACASA-N 1 2 233.315 1.884 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000375306200 387523957 /nfs/dbraw/zinc/52/39/57/387523957.db2.gz BMCXJMRMBGRMJV-SNVBAGLBSA-N 1 2 225.317 1.293 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@]12CCOC2 ZINC000375306200 387523959 /nfs/dbraw/zinc/52/39/59/387523959.db2.gz BMCXJMRMBGRMJV-SNVBAGLBSA-N 1 2 225.317 1.293 20 0 BDADLO c1cnn([C@@H]2CCC[N@@H+](Cc3ncccn3)C2)c1 ZINC000361711640 387524714 /nfs/dbraw/zinc/52/47/14/387524714.db2.gz KUCXESFWNLMIPE-GFCCVEGCSA-N 1 2 243.314 1.510 20 0 BDADLO c1cnn([C@@H]2CCC[N@H+](Cc3ncccn3)C2)c1 ZINC000361711640 387524719 /nfs/dbraw/zinc/52/47/19/387524719.db2.gz KUCXESFWNLMIPE-GFCCVEGCSA-N 1 2 243.314 1.510 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375318821 387526300 /nfs/dbraw/zinc/52/63/00/387526300.db2.gz KKMAXRNZOXIPMA-VXGBXAGGSA-N 1 2 239.315 1.193 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375318821 387526307 /nfs/dbraw/zinc/52/63/07/387526307.db2.gz KKMAXRNZOXIPMA-VXGBXAGGSA-N 1 2 239.315 1.193 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1nnnn1C1CC1 ZINC000361749427 387529473 /nfs/dbraw/zinc/52/94/73/387529473.db2.gz DYOAKOJNZLASKO-JGVFFNPUSA-N 1 2 247.306 1.143 20 0 BDADLO C[C@@H]1SCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000648689876 387540138 /nfs/dbraw/zinc/54/01/38/387540138.db2.gz VYTURYIRKXFACR-UWVGGRQHSA-N 1 2 239.344 1.283 20 0 BDADLO CCOCCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426153459 387541348 /nfs/dbraw/zinc/54/13/48/387541348.db2.gz NDCLAPQPAQSOLE-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO CCOCCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426153459 387541349 /nfs/dbraw/zinc/54/13/49/387541349.db2.gz NDCLAPQPAQSOLE-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO FC1=CCC[N@H+](CCCN2CCOCC2)C1 ZINC000352767260 387469356 /nfs/dbraw/zinc/46/93/56/387469356.db2.gz FRIKXLANWNSTGQ-UHFFFAOYSA-N 1 2 228.311 1.268 20 0 BDADLO FC1=CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000352767260 387469360 /nfs/dbraw/zinc/46/93/60/387469360.db2.gz FRIKXLANWNSTGQ-UHFFFAOYSA-N 1 2 228.311 1.268 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CCCCCC1)[C@H](C)O ZINC000355042698 387470790 /nfs/dbraw/zinc/47/07/90/387470790.db2.gz QWUNBAVZDRFHRY-CMPLNLGQSA-N 1 2 243.347 1.469 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC1(C)C ZINC000516193028 387473502 /nfs/dbraw/zinc/47/35/02/387473502.db2.gz NPXTZXAMWRGMNS-UWVGGRQHSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC1(C)C ZINC000516193028 387473505 /nfs/dbraw/zinc/47/35/05/387473505.db2.gz NPXTZXAMWRGMNS-UWVGGRQHSA-N 1 2 235.331 1.751 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000352775712 387474561 /nfs/dbraw/zinc/47/45/61/387474561.db2.gz SBJJIFCOOPJHKA-JTQLQIEISA-N 1 2 234.303 1.910 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000352775712 387474565 /nfs/dbraw/zinc/47/45/65/387474565.db2.gz SBJJIFCOOPJHKA-JTQLQIEISA-N 1 2 234.303 1.910 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CC1CCC1)CC2 ZINC000374648465 387475363 /nfs/dbraw/zinc/47/53/63/387475363.db2.gz QJWSLXYZOFFQFE-UHFFFAOYSA-N 1 2 233.315 1.724 20 0 BDADLO C[N@H+](CCOCC1CCC1)Cc1cc[nH]n1 ZINC000355073795 387475482 /nfs/dbraw/zinc/47/54/82/387475482.db2.gz UCUOLOGDZHRUTB-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO C[N@@H+](CCOCC1CCC1)Cc1cc[nH]n1 ZINC000355073795 387475490 /nfs/dbraw/zinc/47/54/90/387475490.db2.gz UCUOLOGDZHRUTB-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634674 387476673 /nfs/dbraw/zinc/47/66/73/387476673.db2.gz AGCSMHRZLNFMPZ-TZMCWYRMSA-N 1 2 248.301 1.446 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634674 387476679 /nfs/dbraw/zinc/47/66/79/387476679.db2.gz AGCSMHRZLNFMPZ-TZMCWYRMSA-N 1 2 248.301 1.446 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OC ZINC000355080320 387477428 /nfs/dbraw/zinc/47/74/28/387477428.db2.gz DWIXSUHSIJLTOZ-ZYHUDNBSSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374661136 387478452 /nfs/dbraw/zinc/47/84/52/387478452.db2.gz LAXMRVJNLWOHSW-BXUZGUMPSA-N 1 2 247.342 1.970 20 0 BDADLO COC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000355098465 387479588 /nfs/dbraw/zinc/47/95/88/387479588.db2.gz OVLQBUQPJLQGHB-TUAOUCFPSA-N 1 2 243.347 1.590 20 0 BDADLO CC[C@H](O)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421906095 387481092 /nfs/dbraw/zinc/48/10/92/387481092.db2.gz AVYAWJQLCZQNIB-LBPRGKRZSA-N 1 2 236.315 1.476 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000361529560 387481731 /nfs/dbraw/zinc/48/17/31/387481731.db2.gz FFAULEWKFGCVOB-WYUUTHIRSA-N 1 2 233.315 1.434 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCn2cc(C)nc2C1 ZINC000374710475 387484786 /nfs/dbraw/zinc/48/47/86/387484786.db2.gz NRHAUBRBLQOQGE-SNVBAGLBSA-N 1 2 209.293 1.042 20 0 BDADLO COC[C@@H](C)[N@H+]1CCn2cc(C)nc2C1 ZINC000374710475 387484795 /nfs/dbraw/zinc/48/47/95/387484795.db2.gz NRHAUBRBLQOQGE-SNVBAGLBSA-N 1 2 209.293 1.042 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)C[C@H](C)OC ZINC000361559298 387490015 /nfs/dbraw/zinc/49/00/15/387490015.db2.gz PCBCBKVVXOPKRQ-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)C[C@H](C)OC ZINC000361559298 387490022 /nfs/dbraw/zinc/49/00/22/387490022.db2.gz PCBCBKVVXOPKRQ-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CC[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000516268302 387490130 /nfs/dbraw/zinc/49/01/30/387490130.db2.gz USQCSDRUAQDWCJ-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000362183657 387581404 /nfs/dbraw/zinc/58/14/04/387581404.db2.gz QEBVTKSWPWXEIF-PWSUYJOCSA-N 1 2 219.284 1.995 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000362183657 387581407 /nfs/dbraw/zinc/58/14/07/387581407.db2.gz QEBVTKSWPWXEIF-PWSUYJOCSA-N 1 2 219.284 1.995 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355833598 387583998 /nfs/dbraw/zinc/58/39/98/387583998.db2.gz TYNRJEAGRYGAHZ-ONGXEEELSA-N 1 2 239.319 1.429 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[C@](F)(CO)C1 ZINC000528488665 387588662 /nfs/dbraw/zinc/58/86/62/387588662.db2.gz GLWDTNUXHQOFQH-GNJCPQTGSA-N 1 2 207.676 1.535 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[C@](F)(CO)C1 ZINC000528488665 387588664 /nfs/dbraw/zinc/58/86/64/387588664.db2.gz GLWDTNUXHQOFQH-GNJCPQTGSA-N 1 2 207.676 1.535 20 0 BDADLO Cc1nc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)no1 ZINC000528759155 387590738 /nfs/dbraw/zinc/59/07/38/387590738.db2.gz XMSRFXVKQXPQSK-PJFCORBGSA-N 1 2 225.292 1.280 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000428222201 387591637 /nfs/dbraw/zinc/59/16/37/387591637.db2.gz MPYUGDOXJYHBJN-SECBINFHSA-N 1 2 224.308 1.149 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000428222201 387591639 /nfs/dbraw/zinc/59/16/39/387591639.db2.gz MPYUGDOXJYHBJN-SECBINFHSA-N 1 2 224.308 1.149 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCCO1 ZINC000122747225 387595452 /nfs/dbraw/zinc/59/54/52/387595452.db2.gz GJRQAESJHJWURY-NSHDSACASA-N 1 2 220.272 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCSC[C@H]1CCO ZINC000356124792 387619407 /nfs/dbraw/zinc/61/94/07/387619407.db2.gz QGSDNUOIJDNRTE-SNVBAGLBSA-N 1 2 241.360 1.018 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCSC[C@H]1CCO ZINC000356124792 387619409 /nfs/dbraw/zinc/61/94/09/387619409.db2.gz QGSDNUOIJDNRTE-SNVBAGLBSA-N 1 2 241.360 1.018 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)ccn1 ZINC000527533157 387623215 /nfs/dbraw/zinc/62/32/15/387623215.db2.gz HDIUIOCMAAYJRH-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)ccn1 ZINC000527533157 387623220 /nfs/dbraw/zinc/62/32/20/387623220.db2.gz HDIUIOCMAAYJRH-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000355532046 387548653 /nfs/dbraw/zinc/54/86/53/387548653.db2.gz YKQDIDDFYAVXIE-YUSALJHKSA-N 1 2 232.283 1.175 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)c1 ZINC000375543933 387552300 /nfs/dbraw/zinc/55/23/00/387552300.db2.gz CGYZPDZNBBFYNB-OLZOCXBDSA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)c1 ZINC000375543933 387552303 /nfs/dbraw/zinc/55/23/03/387552303.db2.gz CGYZPDZNBBFYNB-OLZOCXBDSA-N 1 2 246.310 1.527 20 0 BDADLO CCS[C@H](C)c1noc(C[N@H+](C)CCO)n1 ZINC000305149089 387562866 /nfs/dbraw/zinc/56/28/66/387562866.db2.gz STXUAANOCGGWHG-MRVPVSSYSA-N 1 2 245.348 1.308 20 0 BDADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCO)n1 ZINC000305149089 387562868 /nfs/dbraw/zinc/56/28/68/387562868.db2.gz STXUAANOCGGWHG-MRVPVSSYSA-N 1 2 245.348 1.308 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000330367147 387563363 /nfs/dbraw/zinc/56/33/63/387563363.db2.gz OBLJAKDBIMZTTA-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1nncn1C ZINC000037508684 387565188 /nfs/dbraw/zinc/56/51/88/387565188.db2.gz IAWXDLVRLKQGSV-SSDOTTSWSA-N 1 2 240.694 1.912 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@]12C[C@H]1CCC2 ZINC000527536527 387631837 /nfs/dbraw/zinc/63/18/37/387631837.db2.gz PYPVYQBXFVTLDG-DGCLKSJQSA-N 1 2 233.315 1.722 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000356229563 387632551 /nfs/dbraw/zinc/63/25/51/387632551.db2.gz YRFDXOVRPWXEKE-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000356229563 387632557 /nfs/dbraw/zinc/63/25/57/387632557.db2.gz YRFDXOVRPWXEKE-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000356229563 387632559 /nfs/dbraw/zinc/63/25/59/387632559.db2.gz YRFDXOVRPWXEKE-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000356229563 387632565 /nfs/dbraw/zinc/63/25/65/387632565.db2.gz YRFDXOVRPWXEKE-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO C[C@@H](O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000305723679 387637599 /nfs/dbraw/zinc/63/75/99/387637599.db2.gz QLDJXSRUOXRSOQ-SECBINFHSA-N 1 2 231.255 1.192 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@H]1C(F)(F)F ZINC000527629829 387641283 /nfs/dbraw/zinc/64/12/83/387641283.db2.gz NHPOMMYKROZCFY-VIFPVBQESA-N 1 2 233.237 1.947 20 0 BDADLO Cc1noc(C)c1CNc1ccc(CO)c[nH+]1 ZINC000356321446 387644476 /nfs/dbraw/zinc/64/44/76/387644476.db2.gz PWKYGDYKJIEMDP-UHFFFAOYSA-N 1 2 233.271 1.791 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363188855 387695296 /nfs/dbraw/zinc/69/52/96/387695296.db2.gz RXNHOAVINUQCDM-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363188855 387695301 /nfs/dbraw/zinc/69/53/01/387695301.db2.gz RXNHOAVINUQCDM-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H](NC(=O)c1cnns1)c1[nH]cc[nH+]1 ZINC000125329021 387651795 /nfs/dbraw/zinc/65/17/95/387651795.db2.gz SKDRYPMYJHBRES-LURJTMIESA-N 1 2 237.288 1.142 20 0 BDADLO Cc1c[nH+]c(CN2CCCc3n[nH]cc32)n1C ZINC000356383077 387651923 /nfs/dbraw/zinc/65/19/23/387651923.db2.gz BUGXTUYXJHBVPE-UHFFFAOYSA-N 1 2 231.303 1.404 20 0 BDADLO OCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000140963985 387654308 /nfs/dbraw/zinc/65/43/08/387654308.db2.gz JYURCGSQGUNXOC-UHFFFAOYSA-N 1 2 204.229 1.243 20 0 BDADLO CSc1cc(C(=O)NCc2[nH]cc[nH+]2)ccn1 ZINC000114336790 387675822 /nfs/dbraw/zinc/67/58/22/387675822.db2.gz BRWNIWWHSSTHHY-UHFFFAOYSA-N 1 2 248.311 1.457 20 0 BDADLO CC(C)[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000440712837 387678698 /nfs/dbraw/zinc/67/86/98/387678698.db2.gz NADLUFLTVYPVBD-UHFFFAOYSA-N 1 2 226.299 1.620 20 0 BDADLO CC(C)[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000440712837 387678702 /nfs/dbraw/zinc/67/87/02/387678702.db2.gz NADLUFLTVYPVBD-UHFFFAOYSA-N 1 2 226.299 1.620 20 0 BDADLO Nc1ccc(NC(=O)[C@H](O)C2CCCCC2)c[nH+]1 ZINC000422780365 387679080 /nfs/dbraw/zinc/67/90/80/387679080.db2.gz DBIUEHUEJJQRPD-GFCCVEGCSA-N 1 2 249.314 1.374 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOC[C@H]1C ZINC000362969430 387682412 /nfs/dbraw/zinc/68/24/12/387682412.db2.gz MGMFEXVPYLCPLB-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ncccc1C[N@H+]1CCOC[C@H]1C ZINC000362969430 387682415 /nfs/dbraw/zinc/68/24/15/387682415.db2.gz MGMFEXVPYLCPLB-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363072484 387687857 /nfs/dbraw/zinc/68/78/57/387687857.db2.gz NYPVIYAWLPJDLV-GMTAPVOTSA-N 1 2 233.315 1.772 20 0 BDADLO C[N@H+](Cc1ncnn1CCF)[C@H]1CCSC1 ZINC000440771689 387689753 /nfs/dbraw/zinc/68/97/53/387689753.db2.gz DDFIAWQNPMJCCC-VIFPVBQESA-N 1 2 244.339 1.185 20 0 BDADLO C[N@@H+](Cc1ncnn1CCF)[C@H]1CCSC1 ZINC000440771689 387689759 /nfs/dbraw/zinc/68/97/59/387689759.db2.gz DDFIAWQNPMJCCC-VIFPVBQESA-N 1 2 244.339 1.185 20 0 BDADLO COc1ccc[nH+]c1N(C)Cc1nccn1C ZINC000527831322 387748004 /nfs/dbraw/zinc/74/80/04/387748004.db2.gz KFTTUWBQGNUVAE-UHFFFAOYSA-N 1 2 232.287 1.460 20 0 BDADLO Cc1cc(C)cc(N(C)C(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088372132 177905413 /nfs/dbraw/zinc/90/54/13/177905413.db2.gz BVCWISWDYGILSL-ZDUSSCGKSA-N 1 2 248.326 1.255 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)c1ccco1 ZINC000527846138 387752509 /nfs/dbraw/zinc/75/25/09/387752509.db2.gz LMWDKYFFVUFUBS-SECBINFHSA-N 1 2 234.255 1.829 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC000639893991 387702133 /nfs/dbraw/zinc/70/21/33/387702133.db2.gz XTJVPNNHVUWDGL-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC000639893991 387702137 /nfs/dbraw/zinc/70/21/37/387702137.db2.gz XTJVPNNHVUWDGL-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000440797002 387703669 /nfs/dbraw/zinc/70/36/69/387703669.db2.gz MLFKWYDKWUNTLN-ZJUUUORDSA-N 1 2 226.299 1.700 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@H]1c1nncn1C ZINC000440797002 387703672 /nfs/dbraw/zinc/70/36/72/387703672.db2.gz MLFKWYDKWUNTLN-ZJUUUORDSA-N 1 2 226.299 1.700 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000377244727 387705846 /nfs/dbraw/zinc/70/58/46/387705846.db2.gz MGWCFIUOWCSFPX-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000377244727 387705848 /nfs/dbraw/zinc/70/58/48/387705848.db2.gz MGWCFIUOWCSFPX-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCCC[C@H]1COC ZINC000452040590 387709010 /nfs/dbraw/zinc/70/90/10/387709010.db2.gz QTCMXZRMGVOALH-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@H+]1CCCC[C@H]1COC ZINC000452040590 387709017 /nfs/dbraw/zinc/70/90/17/387709017.db2.gz QTCMXZRMGVOALH-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO Cn1cc(CCOc2cc[nH+]cc2)cn1 ZINC000431478818 387709535 /nfs/dbraw/zinc/70/95/35/387709535.db2.gz UJWGOAZGISQDPU-UHFFFAOYSA-N 1 2 203.245 1.437 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2C[C@@H]2CCCO2)no1 ZINC000377492545 387720368 /nfs/dbraw/zinc/72/03/68/387720368.db2.gz FDTQGWVORRCJNH-VHSXEESVSA-N 1 2 223.276 1.386 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2C[C@@H]2CCCO2)no1 ZINC000377492545 387720374 /nfs/dbraw/zinc/72/03/74/387720374.db2.gz FDTQGWVORRCJNH-VHSXEESVSA-N 1 2 223.276 1.386 20 0 BDADLO c1ccc(N[C@H]2CCO[C@]3(CCOC3)C2)[nH+]c1 ZINC000367521787 387720745 /nfs/dbraw/zinc/72/07/45/387720745.db2.gz YVXSPCKHJJFONA-WCQYABFASA-N 1 2 234.299 1.832 20 0 BDADLO Cc1nc(N(C)[C@@H](C)C2CCC2)nc(N(C)C)[nH+]1 ZINC000356789831 387721320 /nfs/dbraw/zinc/72/13/20/387721320.db2.gz GHWCDIGUHGIJSL-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@@H](C)C2CCC2)[nH+]1 ZINC000356789831 387721325 /nfs/dbraw/zinc/72/13/25/387721325.db2.gz GHWCDIGUHGIJSL-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)[nH]1 ZINC000452069797 387722850 /nfs/dbraw/zinc/72/28/50/387722850.db2.gz NEIAGNBGISKAMK-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)C[C@H](O)C2)[nH]1 ZINC000452069797 387722856 /nfs/dbraw/zinc/72/28/56/387722856.db2.gz NEIAGNBGISKAMK-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CSCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000377500769 387723489 /nfs/dbraw/zinc/72/34/89/387723489.db2.gz UVDDPMKDMIBWOM-MRVPVSSYSA-N 1 2 213.306 1.570 20 0 BDADLO CSCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000377500769 387723493 /nfs/dbraw/zinc/72/34/93/387723493.db2.gz UVDDPMKDMIBWOM-MRVPVSSYSA-N 1 2 213.306 1.570 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422844382 387732606 /nfs/dbraw/zinc/73/26/06/387732606.db2.gz LPJGQHVBZBFONR-SDDRHHMPSA-N 1 2 222.336 1.002 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@H]1CCC[NH2+]1 ZINC000422844381 387733346 /nfs/dbraw/zinc/73/33/46/387733346.db2.gz LPJGQHVBZBFONR-QJPTWQEYSA-N 1 2 222.336 1.002 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000128124902 387737397 /nfs/dbraw/zinc/73/73/97/387737397.db2.gz LAVQHJZRPIAZLH-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000128124902 387737401 /nfs/dbraw/zinc/73/74/01/387737401.db2.gz LAVQHJZRPIAZLH-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)cs1 ZINC000378119400 387765355 /nfs/dbraw/zinc/76/53/55/387765355.db2.gz YSMBZNKJSRTADH-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNc1ncccn1)CCC2 ZINC000378228593 387773371 /nfs/dbraw/zinc/77/33/71/387773371.db2.gz DWDHAHMPMLRXFD-LLVKDONJSA-N 1 2 243.314 1.971 20 0 BDADLO CNC(=O)[C@@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000527889558 387774091 /nfs/dbraw/zinc/77/40/91/387774091.db2.gz FRMXEHQSDPPGNL-SNVBAGLBSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000129586670 387774760 /nfs/dbraw/zinc/77/47/60/387774760.db2.gz ULMPQWBNQMNIJZ-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000129586670 387774764 /nfs/dbraw/zinc/77/47/64/387774764.db2.gz ULMPQWBNQMNIJZ-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000378353012 387778770 /nfs/dbraw/zinc/77/87/70/387778770.db2.gz ZRBNCOMDOKUMKR-NSHDSACASA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000378353012 387778774 /nfs/dbraw/zinc/77/87/74/387778774.db2.gz ZRBNCOMDOKUMKR-NSHDSACASA-N 1 2 246.310 1.732 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000378370319 387781810 /nfs/dbraw/zinc/78/18/10/387781810.db2.gz KXNZJICCHQOEMA-NXEZZACHSA-N 1 2 237.303 1.119 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@H](C(C)C)C1 ZINC000527952256 387783850 /nfs/dbraw/zinc/78/38/50/387783850.db2.gz FBDYACVWAXTRNJ-LBPRGKRZSA-N 1 2 236.315 1.951 20 0 BDADLO Cc1cccc2[nH+]cc(CNc3cccnn3)n21 ZINC000432415720 387788093 /nfs/dbraw/zinc/78/80/93/387788093.db2.gz XENIWBUAMJSLJV-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cnnn1CC ZINC000527918456 387788599 /nfs/dbraw/zinc/78/85/99/387788599.db2.gz XYEPBOOVNZSJQB-JTQLQIEISA-N 1 2 248.334 1.365 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1c[nH]nc1C)CC2 ZINC000359894738 387790321 /nfs/dbraw/zinc/79/03/21/387790321.db2.gz GONOPPITEMQVHD-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1c[nH]nc1C)CC2 ZINC000359894738 387790323 /nfs/dbraw/zinc/79/03/23/387790323.db2.gz GONOPPITEMQVHD-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO CC(C)c1cnn(Cc2c[nH+]cn2C)c1 ZINC000168754886 387802763 /nfs/dbraw/zinc/80/27/63/387802763.db2.gz NVPPQNWHMYLPTM-UHFFFAOYSA-N 1 2 204.277 1.788 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cccc(N)n1 ZINC000442555905 387804289 /nfs/dbraw/zinc/80/42/89/387804289.db2.gz LKANOLRKNSZYFL-UHFFFAOYSA-N 1 2 244.254 1.320 20 0 BDADLO CCOCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452330339 387805468 /nfs/dbraw/zinc/80/54/68/387805468.db2.gz AFKKYQXNBAHBDC-UHFFFAOYSA-N 1 2 223.276 1.194 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@H]1CCCO1 ZINC000527961294 387810025 /nfs/dbraw/zinc/81/00/25/387810025.db2.gz JRMCJXGRAFNKHF-SNVBAGLBSA-N 1 2 222.288 1.705 20 0 BDADLO CSCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000377906287 387756717 /nfs/dbraw/zinc/75/67/17/387756717.db2.gz IXTJQCJBDUPVSH-SECBINFHSA-N 1 2 227.333 1.960 20 0 BDADLO CSCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000377906287 387756723 /nfs/dbraw/zinc/75/67/23/387756723.db2.gz IXTJQCJBDUPVSH-SECBINFHSA-N 1 2 227.333 1.960 20 0 BDADLO CC1(C(=O)Nc2ccc(N)[nH+]c2)CCC1 ZINC000151654018 387872991 /nfs/dbraw/zinc/87/29/91/387872991.db2.gz FBPMNLCJMZZXSV-UHFFFAOYSA-N 1 2 205.261 1.793 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000054858739 387829938 /nfs/dbraw/zinc/82/99/38/387829938.db2.gz BWNSHMHOERUMSP-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CSCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000353962777 387838562 /nfs/dbraw/zinc/83/85/62/387838562.db2.gz UZGAIUUOFBVVFD-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO CSCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000353962777 387838567 /nfs/dbraw/zinc/83/85/67/387838567.db2.gz UZGAIUUOFBVVFD-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)C1CC1 ZINC000393220098 387874942 /nfs/dbraw/zinc/87/49/42/387874942.db2.gz OPQMLLDBJBNDQY-MXWKQRLJSA-N 1 2 227.304 1.095 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OCC ZINC000432899464 387839695 /nfs/dbraw/zinc/83/96/95/387839695.db2.gz CXVRJBYTYQBGOW-MEPZIYLKSA-N 1 2 241.331 1.653 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1[nH]cc[nH+]1 ZINC000442804112 387843122 /nfs/dbraw/zinc/84/31/22/387843122.db2.gz YSGDDXIPQNKOEO-LMLFDSFASA-N 1 2 249.314 1.402 20 0 BDADLO CC[C@@H](NC(=O)COCC1CC1)c1[nH]cc[nH+]1 ZINC000442810444 387846109 /nfs/dbraw/zinc/84/61/09/387846109.db2.gz MICFSQHFDGEBKD-SNVBAGLBSA-N 1 2 237.303 1.404 20 0 BDADLO CC[C@@H](NC(=O)c1cncnc1C)c1[nH]cc[nH+]1 ZINC000442813008 387846740 /nfs/dbraw/zinc/84/67/40/387846740.db2.gz SJZHSMIJPHEDGB-SNVBAGLBSA-N 1 2 245.286 1.389 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@H]1C[C@@H]1C ZINC000452571749 387861356 /nfs/dbraw/zinc/86/13/56/387861356.db2.gz PKSZRUSMZSQZQQ-VHSXEESVSA-N 1 2 221.304 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@]1(C)CC ZINC000452571499 387861953 /nfs/dbraw/zinc/86/19/53/387861953.db2.gz PDEQIOYRIIBUOY-ZWNOBZJWSA-N 1 2 235.331 1.955 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCO[C@@H]1CCCCO1 ZINC000444622620 387893606 /nfs/dbraw/zinc/89/36/06/387893606.db2.gz HHGJTYJCKAAUEH-SNVBAGLBSA-N 1 2 245.319 1.071 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000645860500 387879119 /nfs/dbraw/zinc/87/91/19/387879119.db2.gz ROKAIKXGCVMRAZ-CYBMUJFWSA-N 1 2 235.327 1.777 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000645860500 387879123 /nfs/dbraw/zinc/87/91/23/387879123.db2.gz ROKAIKXGCVMRAZ-CYBMUJFWSA-N 1 2 235.327 1.777 20 0 BDADLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C1CCC1 ZINC000424175689 387884208 /nfs/dbraw/zinc/88/42/08/387884208.db2.gz NZKAGNNJELWTKB-VIFPVBQESA-N 1 2 232.274 1.148 20 0 BDADLO C/C(Cl)=C\C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000528344578 387902950 /nfs/dbraw/zinc/90/29/50/387902950.db2.gz KCTWLDHREINOJW-QZGLAHODSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C\C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000528344578 387902956 /nfs/dbraw/zinc/90/29/56/387902956.db2.gz KCTWLDHREINOJW-QZGLAHODSA-N 1 2 237.752 1.248 20 0 BDADLO OCC[N@H+](Cc1nnc(C2CC2)s1)C1CC1 ZINC000528348240 387905610 /nfs/dbraw/zinc/90/56/10/387905610.db2.gz AJAYWGRQOZUZIB-UHFFFAOYSA-N 1 2 239.344 1.372 20 0 BDADLO OCC[N@@H+](Cc1nnc(C2CC2)s1)C1CC1 ZINC000528348240 387905614 /nfs/dbraw/zinc/90/56/14/387905614.db2.gz AJAYWGRQOZUZIB-UHFFFAOYSA-N 1 2 239.344 1.372 20 0 BDADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444699585 387913023 /nfs/dbraw/zinc/91/30/23/387913023.db2.gz DWOBJLXPDWPBOS-CQFDHEJISA-N 1 2 243.253 1.063 20 0 BDADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444699585 387913025 /nfs/dbraw/zinc/91/30/25/387913025.db2.gz DWOBJLXPDWPBOS-CQFDHEJISA-N 1 2 243.253 1.063 20 0 BDADLO CCC1(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC000176973075 387915647 /nfs/dbraw/zinc/91/56/47/387915647.db2.gz NZSRZSLGJLFTBS-UHFFFAOYSA-N 1 2 231.303 1.965 20 0 BDADLO Cn1cc(C[N@@H+]2CCc3ncsc3C2)cn1 ZINC000438358847 387929099 /nfs/dbraw/zinc/92/90/99/387929099.db2.gz QZEJWNUXFNCIII-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1cc(C[N@H+]2CCc3ncsc3C2)cn1 ZINC000438358847 387929103 /nfs/dbraw/zinc/92/91/03/387929103.db2.gz QZEJWNUXFNCIII-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO CCn1nncc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000459439320 387941605 /nfs/dbraw/zinc/94/16/05/387941605.db2.gz FGGISVUNXUOLOQ-HBNTYKKESA-N 1 2 238.335 1.296 20 0 BDADLO CCn1nncc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000459439320 387941608 /nfs/dbraw/zinc/94/16/08/387941608.db2.gz FGGISVUNXUOLOQ-HBNTYKKESA-N 1 2 238.335 1.296 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000424304354 387962229 /nfs/dbraw/zinc/96/22/29/387962229.db2.gz BALXJHWRSVWTKD-QMMMGPOBSA-N 1 2 233.275 1.059 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000245741542 387980677 /nfs/dbraw/zinc/98/06/77/387980677.db2.gz LUAQHLSJLMEYKL-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000245741542 387980680 /nfs/dbraw/zinc/98/06/80/387980680.db2.gz LUAQHLSJLMEYKL-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO CC(C)OC(=O)CSCc1c[nH+]cn1C ZINC000439542901 388008957 /nfs/dbraw/zinc/00/89/57/388008957.db2.gz QKXLXZCCCMIWHP-UHFFFAOYSA-N 1 2 228.317 1.605 20 0 BDADLO Cc1ccc(C(N)=O)c(OCc2c[nH+]cn2C)c1 ZINC000439561330 388009851 /nfs/dbraw/zinc/00/98/51/388009851.db2.gz NJWYRIFXCKSMQO-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)ccc1F ZINC000071275994 177795985 /nfs/dbraw/zinc/79/59/85/177795985.db2.gz HQCXCUHRQJOCBW-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Cc1ccccc1F ZINC000082261020 388018452 /nfs/dbraw/zinc/01/84/52/388018452.db2.gz FVNHNCFEZJABPG-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000446809029 388039525 /nfs/dbraw/zinc/03/95/25/388039525.db2.gz OVQQKLXZHSWTHQ-ZDUSSCGKSA-N 1 2 235.331 1.840 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000446809029 388039526 /nfs/dbraw/zinc/03/95/26/388039526.db2.gz OVQQKLXZHSWTHQ-ZDUSSCGKSA-N 1 2 235.331 1.840 20 0 BDADLO CCCO[C@@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000450398407 388030301 /nfs/dbraw/zinc/03/03/01/388030301.db2.gz YJBOWCGNGCVTKS-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000450398407 388030304 /nfs/dbraw/zinc/03/03/04/388030304.db2.gz YJBOWCGNGCVTKS-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC000450398407 388030308 /nfs/dbraw/zinc/03/03/08/388030308.db2.gz YJBOWCGNGCVTKS-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)CC1 ZINC000450398407 388030311 /nfs/dbraw/zinc/03/03/11/388030311.db2.gz YJBOWCGNGCVTKS-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000450398407 388030315 /nfs/dbraw/zinc/03/03/15/388030315.db2.gz YJBOWCGNGCVTKS-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000450398407 388030317 /nfs/dbraw/zinc/03/03/17/388030317.db2.gz YJBOWCGNGCVTKS-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cc2ncnn2CCF)C1 ZINC000440535972 388052541 /nfs/dbraw/zinc/05/25/41/388052541.db2.gz WNGXQCSTMCZZRI-SNVBAGLBSA-N 1 2 238.310 1.646 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cc2ncnn2CCF)C1 ZINC000440535972 388052543 /nfs/dbraw/zinc/05/25/43/388052543.db2.gz WNGXQCSTMCZZRI-SNVBAGLBSA-N 1 2 238.310 1.646 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000440530288 388053350 /nfs/dbraw/zinc/05/33/50/388053350.db2.gz JZHHIDYHAMNBQD-NXEZZACHSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000440530288 388053355 /nfs/dbraw/zinc/05/33/55/388053355.db2.gz JZHHIDYHAMNBQD-NXEZZACHSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(c2ccccn2)CC1 ZINC000440695720 388068857 /nfs/dbraw/zinc/06/88/57/388068857.db2.gz RGSMJDJFEPAHQB-GFCCVEGCSA-N 1 2 237.322 1.952 20 0 BDADLO C[N@H+](CCO)Cc1cnc(C(F)(F)F)s1 ZINC000447797555 388093984 /nfs/dbraw/zinc/09/39/84/388093984.db2.gz LDFPQNYGBKZVJP-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO C[N@@H+](CCO)Cc1cnc(C(F)(F)F)s1 ZINC000447797555 388093986 /nfs/dbraw/zinc/09/39/86/388093986.db2.gz LDFPQNYGBKZVJP-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447840421 388096267 /nfs/dbraw/zinc/09/62/67/388096267.db2.gz RYGDURXMLAMTMS-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447840421 388096270 /nfs/dbraw/zinc/09/62/70/388096270.db2.gz RYGDURXMLAMTMS-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447834121 388097098 /nfs/dbraw/zinc/09/70/98/388097098.db2.gz KFJCSILLRUKGMX-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447834121 388097102 /nfs/dbraw/zinc/09/71/02/388097102.db2.gz KFJCSILLRUKGMX-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000056293196 388097733 /nfs/dbraw/zinc/09/77/33/388097733.db2.gz TXNNTVYEAHXOKR-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1cnc(CCNc2cccc[nH+]2)nc1 ZINC000309836989 388113003 /nfs/dbraw/zinc/11/30/03/388113003.db2.gz BNWFKTAMZICJHJ-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](CC3=CCCC3)CC2)[nH]1 ZINC000645896087 388050098 /nfs/dbraw/zinc/05/00/98/388050098.db2.gz FOOWAKNOUWZFDS-UHFFFAOYSA-N 1 2 248.330 1.800 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000449247891 388161875 /nfs/dbraw/zinc/16/18/75/388161875.db2.gz HKYNWTBQJWIDTD-GHMZBOCLSA-N 1 2 233.315 1.656 20 0 BDADLO Cc1occc1CN(C)Cc1[nH+]ccn1C ZINC000195515173 388165595 /nfs/dbraw/zinc/16/55/95/388165595.db2.gz GPISGFLLVGBBLY-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C[C@@H]1C[N@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000646254684 388170848 /nfs/dbraw/zinc/17/08/48/388170848.db2.gz JDHRHIIZPCAPDU-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000646254684 388170850 /nfs/dbraw/zinc/17/08/50/388170850.db2.gz JDHRHIIZPCAPDU-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c3ccccc32)CCO1 ZINC000646254684 388170852 /nfs/dbraw/zinc/17/08/52/388170852.db2.gz JDHRHIIZPCAPDU-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c3ccccc32)CCO1 ZINC000646254684 388170854 /nfs/dbraw/zinc/17/08/54/388170854.db2.gz JDHRHIIZPCAPDU-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646261786 388172863 /nfs/dbraw/zinc/17/28/63/388172863.db2.gz XEKMDLMNFBFIQR-SECBINFHSA-N 1 2 249.314 1.110 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646261786 388172865 /nfs/dbraw/zinc/17/28/65/388172865.db2.gz XEKMDLMNFBFIQR-SECBINFHSA-N 1 2 249.314 1.110 20 0 BDADLO CC[N@H+](Cc1nccnc1OC)[C@H]1CCOC1 ZINC000449339228 388176373 /nfs/dbraw/zinc/17/63/73/388176373.db2.gz XPNXAIAYRLZDDJ-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO CC[N@@H+](Cc1nccnc1OC)[C@H]1CCOC1 ZINC000449339228 388176376 /nfs/dbraw/zinc/17/63/76/388176376.db2.gz XPNXAIAYRLZDDJ-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[NH2+][C@H]1CCC[C@H]1F ZINC000449343789 388177313 /nfs/dbraw/zinc/17/73/13/388177313.db2.gz NBOXJCIJOIKZTL-BDAKNGLRSA-N 1 2 225.267 1.465 20 0 BDADLO CCn1cc[nH+]c1CN(C(C)C)C1COC1 ZINC000449349741 388179195 /nfs/dbraw/zinc/17/91/95/388179195.db2.gz GXSADSNYBOGXDU-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO Cc1nccc(C[N@H+](C2CC2)C2COC2)n1 ZINC000449351970 388179822 /nfs/dbraw/zinc/17/98/22/388179822.db2.gz SQNGTXHWNNLEHL-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1nccc(C[N@@H+](C2CC2)C2COC2)n1 ZINC000449351970 388179823 /nfs/dbraw/zinc/17/98/23/388179823.db2.gz SQNGTXHWNNLEHL-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO CCn1cc[nH+]c1CN(C1CC1)C1COC1 ZINC000449351932 388179830 /nfs/dbraw/zinc/17/98/30/388179830.db2.gz SAKKYUVCSUDXSF-UHFFFAOYSA-N 1 2 221.304 1.266 20 0 BDADLO CC[C@@H](NCc1[nH+]ccn1C)C(F)F ZINC000449364624 388183480 /nfs/dbraw/zinc/18/34/80/388183480.db2.gz SSWKBPQVHBAJOG-SSDOTTSWSA-N 1 2 203.236 1.553 20 0 BDADLO CC(C)CCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000448948809 388122145 /nfs/dbraw/zinc/12/21/45/388122145.db2.gz FZEIIDJKBXBGLM-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000448956410 388122663 /nfs/dbraw/zinc/12/26/63/388122663.db2.gz ZWGAKJSQDWMZRN-GWCFXTLKSA-N 1 2 235.331 1.895 20 0 BDADLO CC/C=C\CNC(=O)NCCn1cc[nH+]c1 ZINC000454624817 388125472 /nfs/dbraw/zinc/12/54/72/388125472.db2.gz UAMDPSPLPRHLAD-ARJAWSKDSA-N 1 2 222.292 1.149 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)nnn2CC)CCO1 ZINC000449009701 388129012 /nfs/dbraw/zinc/12/90/12/388129012.db2.gz PITNWEVPZVBHGK-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)CCO1 ZINC000449009701 388129013 /nfs/dbraw/zinc/12/90/13/388129013.db2.gz PITNWEVPZVBHGK-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000454708072 388131086 /nfs/dbraw/zinc/13/10/86/388131086.db2.gz MBTDFEVZDRFGHS-LLVKDONJSA-N 1 2 233.315 1.746 20 0 BDADLO CC1(C)COCN1C(=O)CCCn1cc[nH+]c1 ZINC000646079245 388138644 /nfs/dbraw/zinc/13/86/44/388138644.db2.gz XRNCOQHSZUNJIK-UHFFFAOYSA-N 1 2 237.303 1.258 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)CF)c[nH+]1 ZINC000454955351 388141680 /nfs/dbraw/zinc/14/16/80/388141680.db2.gz JUGQKVSSRSSTPS-JTQLQIEISA-N 1 2 239.294 1.856 20 0 BDADLO CC(C)[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449660912 388249902 /nfs/dbraw/zinc/24/99/02/388249902.db2.gz YPCCNWINIMAMKH-UWVGGRQHSA-N 1 2 248.317 1.640 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449664421 388250528 /nfs/dbraw/zinc/25/05/28/388250528.db2.gz LIWMDGLZNRRKGI-VPOLOUISSA-N 1 2 229.320 1.482 20 0 BDADLO CCOC1CC([NH2+][C@@H](C)C(=O)OC(C)C)C1 ZINC000449667820 388251308 /nfs/dbraw/zinc/25/13/08/388251308.db2.gz VLFSAIFZZSUDOB-WHXUTIOJSA-N 1 2 229.320 1.484 20 0 BDADLO Cc1ncsc1C[NH2+]C(CF)CF ZINC000449381786 388189155 /nfs/dbraw/zinc/18/91/55/388189155.db2.gz SSWPOLYSDAPKHR-UHFFFAOYSA-N 1 2 206.261 1.849 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000449392809 388193347 /nfs/dbraw/zinc/19/33/47/388193347.db2.gz LAGQVFLEKBKDKV-SECBINFHSA-N 1 2 227.235 1.610 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000449392809 388193349 /nfs/dbraw/zinc/19/33/49/388193349.db2.gz LAGQVFLEKBKDKV-SECBINFHSA-N 1 2 227.235 1.610 20 0 BDADLO CC[N@H+](Cc1cnn(CC(C)C)c1)C1COC1 ZINC000449422776 388201135 /nfs/dbraw/zinc/20/11/35/388201135.db2.gz FKWQILMHTSUTMN-UHFFFAOYSA-N 1 2 237.347 1.760 20 0 BDADLO CC[N@@H+](Cc1cnn(CC(C)C)c1)C1COC1 ZINC000449422776 388201137 /nfs/dbraw/zinc/20/11/37/388201137.db2.gz FKWQILMHTSUTMN-UHFFFAOYSA-N 1 2 237.347 1.760 20 0 BDADLO CC[N@H+](Cc1ccc(C)nc1)C1COC1 ZINC000449424599 388202310 /nfs/dbraw/zinc/20/23/10/388202310.db2.gz KHCWKXFBLUADFG-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1ccc(C)nc1)C1COC1 ZINC000449424599 388202312 /nfs/dbraw/zinc/20/23/12/388202312.db2.gz KHCWKXFBLUADFG-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC(C)[C@@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000450816160 388259183 /nfs/dbraw/zinc/25/91/83/388259183.db2.gz VNLXNUVLSLWPFT-JTQLQIEISA-N 1 2 231.303 1.598 20 0 BDADLO COCc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000449519243 388222408 /nfs/dbraw/zinc/22/24/08/388222408.db2.gz BMJPFQCJFFAYLM-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO COCc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000449519243 388222410 /nfs/dbraw/zinc/22/24/10/388222410.db2.gz BMJPFQCJFFAYLM-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO CCO[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456869870 388229482 /nfs/dbraw/zinc/22/94/82/388229482.db2.gz YRSXFMARAKIJKB-NSHDSACASA-N 1 2 236.315 1.740 20 0 BDADLO CCc1nsc(N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000489971511 388230165 /nfs/dbraw/zinc/23/01/65/388230165.db2.gz JKADZJCMZBAAQX-QMMMGPOBSA-N 1 2 249.343 1.146 20 0 BDADLO CC[C@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000490047840 388232157 /nfs/dbraw/zinc/23/21/57/388232157.db2.gz KLPCDMIVEBFLMO-ZDUSSCGKSA-N 1 2 233.315 1.705 20 0 BDADLO CC[C@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000490067996 388233184 /nfs/dbraw/zinc/23/31/84/388233184.db2.gz ZPOSVBAOKOXRHP-ZDUSSCGKSA-N 1 2 235.331 1.753 20 0 BDADLO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000164796085 388248365 /nfs/dbraw/zinc/24/83/65/388248365.db2.gz FOPZPPIBSVQHHO-WDEREUQCSA-N 1 2 209.293 1.050 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2COCC2(C)C)no1 ZINC000451809187 388297807 /nfs/dbraw/zinc/29/78/07/388297807.db2.gz LZQMDCDMIBKSFC-MRVPVSSYSA-N 1 2 225.292 1.147 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2COCC2(C)C)no1 ZINC000451811013 388297901 /nfs/dbraw/zinc/29/79/01/388297901.db2.gz QJGFRAJKRWHBEE-SECBINFHSA-N 1 2 239.319 1.708 20 0 BDADLO CCNC(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451827645 388298939 /nfs/dbraw/zinc/29/89/39/388298939.db2.gz AGXBFWJDRHCHOM-CYBMUJFWSA-N 1 2 248.326 1.943 20 0 BDADLO CCNC(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451827645 388298940 /nfs/dbraw/zinc/29/89/40/388298940.db2.gz AGXBFWJDRHCHOM-CYBMUJFWSA-N 1 2 248.326 1.943 20 0 BDADLO O=C(/C=C\c1ccsc1)NCCc1[nH]cc[nH+]1 ZINC000491910845 388327437 /nfs/dbraw/zinc/32/74/37/388327437.db2.gz CIEIITGORZCWKZ-UPHRSURJSA-N 1 2 247.323 1.843 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\C1CC1 ZINC000491932213 388328424 /nfs/dbraw/zinc/32/84/24/388328424.db2.gz QHFUIGFNOUKGKU-LWTINBJPSA-N 1 2 219.288 1.354 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\c1ccc[nH]1 ZINC000492008616 388331289 /nfs/dbraw/zinc/33/12/89/388331289.db2.gz KEXSFBPRSFLLJM-WAYWQWQTSA-N 1 2 244.298 1.420 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1ccncc1C ZINC000572996904 388404268 /nfs/dbraw/zinc/40/42/68/388404268.db2.gz RONMTJYRSMFZCG-LLVKDONJSA-N 1 2 236.315 1.426 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccncc1C ZINC000572996904 388404269 /nfs/dbraw/zinc/40/42/69/388404269.db2.gz RONMTJYRSMFZCG-LLVKDONJSA-N 1 2 236.315 1.426 20 0 BDADLO O[C@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000131550869 388347413 /nfs/dbraw/zinc/34/74/13/388347413.db2.gz KMVZNOFYOUGFKM-NSHDSACASA-N 1 2 248.330 1.038 20 0 BDADLO O[C@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000131550869 388347417 /nfs/dbraw/zinc/34/74/17/388347417.db2.gz KMVZNOFYOUGFKM-NSHDSACASA-N 1 2 248.330 1.038 20 0 BDADLO CC[C@@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000233873930 388349692 /nfs/dbraw/zinc/34/96/92/388349692.db2.gz QZCHUJHMKDKJOE-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO CC[C@@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000233873930 388349694 /nfs/dbraw/zinc/34/96/94/388349694.db2.gz QZCHUJHMKDKJOE-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO Cc1ccoc1C[NH2+][C@H](C)c1ncnn1C ZINC000276623666 388350460 /nfs/dbraw/zinc/35/04/60/388350460.db2.gz FIQGRODCPZLFIE-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2ncnn2C)o1 ZINC000276674624 388350805 /nfs/dbraw/zinc/35/08/05/388350805.db2.gz KUQXDDOLFWOGMK-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cnccn2)[nH+]1 ZINC000516575829 388354390 /nfs/dbraw/zinc/35/43/90/388354390.db2.gz CIDCPHIYSVWLDR-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO C[C@@H](CF)NC(=O)CCCn1cc[nH+]c1 ZINC000646422573 388354906 /nfs/dbraw/zinc/35/49/06/388354906.db2.gz QCKBKYWYDFPHBQ-VIFPVBQESA-N 1 2 213.256 1.138 20 0 BDADLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000524400751 388358583 /nfs/dbraw/zinc/35/85/83/388358583.db2.gz PUCDOBAWFHEFHN-UHFFFAOYSA-N 1 2 231.255 1.482 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000227193541 388359306 /nfs/dbraw/zinc/35/93/06/388359306.db2.gz BBMADZGUDYVTEJ-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000227193541 388359308 /nfs/dbraw/zinc/35/93/08/388359308.db2.gz BBMADZGUDYVTEJ-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000227849078 388371336 /nfs/dbraw/zinc/37/13/36/388371336.db2.gz IFAKRGUCNFVMMF-RQJHMYQMSA-N 1 2 242.710 1.428 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000227849078 388371337 /nfs/dbraw/zinc/37/13/37/388371337.db2.gz IFAKRGUCNFVMMF-RQJHMYQMSA-N 1 2 242.710 1.428 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)no1 ZINC000305786039 388375166 /nfs/dbraw/zinc/37/51/66/388375166.db2.gz AWAYMJUUALDZDR-QWRGUYRKSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)no1 ZINC000305786039 388375168 /nfs/dbraw/zinc/37/51/68/388375168.db2.gz AWAYMJUUALDZDR-QWRGUYRKSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)no1 ZINC000305786037 388375644 /nfs/dbraw/zinc/37/56/44/388375644.db2.gz AWAYMJUUALDZDR-GHMZBOCLSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)no1 ZINC000305786037 388375645 /nfs/dbraw/zinc/37/56/45/388375645.db2.gz AWAYMJUUALDZDR-GHMZBOCLSA-N 1 2 239.319 1.361 20 0 BDADLO FC(F)C[NH2+]Cc1cnc2cnccn12 ZINC000291504457 388376644 /nfs/dbraw/zinc/37/66/44/388376644.db2.gz WAIUSTNUDJWVIO-UHFFFAOYSA-N 1 2 212.203 1.084 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(CO)o2)s1 ZINC000164839278 388385627 /nfs/dbraw/zinc/38/56/27/388385627.db2.gz SCJLLNRJXYYPOS-UHFFFAOYSA-N 1 2 238.312 1.827 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000236938917 388386590 /nfs/dbraw/zinc/38/65/90/388386590.db2.gz SDQVIXMHBXSNKK-USWWRNFRSA-N 1 2 248.326 1.405 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000229577022 388394310 /nfs/dbraw/zinc/39/43/10/388394310.db2.gz KSYSHEIGQXADIN-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000229577022 388394312 /nfs/dbraw/zinc/39/43/12/388394312.db2.gz KSYSHEIGQXADIN-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO O=C(/C=C/C1CCC1)NC1=[NH+]CCS1 ZINC000492081960 388334010 /nfs/dbraw/zinc/33/40/10/388334010.db2.gz GFZZBLJRIDTLQP-SNAWJCMRSA-N 1 2 210.302 1.562 20 0 BDADLO O=C(/C=C/C1CCC1)NCCn1cc[nH+]c1 ZINC000492091507 388334492 /nfs/dbraw/zinc/33/44/92/388334492.db2.gz RTNQIMBMFUITPQ-SNAWJCMRSA-N 1 2 219.288 1.356 20 0 BDADLO Cc1cncc(/C=C\C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000492217986 388338448 /nfs/dbraw/zinc/33/84/48/388338448.db2.gz OYYYAHGEEHDBRT-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000525999736 388453410 /nfs/dbraw/zinc/45/34/10/388453410.db2.gz UPKKILQSYMVXSS-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000525999736 388453411 /nfs/dbraw/zinc/45/34/11/388453411.db2.gz UPKKILQSYMVXSS-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000525999736 388453412 /nfs/dbraw/zinc/45/34/12/388453412.db2.gz UPKKILQSYMVXSS-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000525999736 388453413 /nfs/dbraw/zinc/45/34/13/388453413.db2.gz UPKKILQSYMVXSS-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO O=C(CCC1CCC1)NCCc1[nH]cc[nH+]1 ZINC000176598016 388455215 /nfs/dbraw/zinc/45/52/15/388455215.db2.gz HUXCHHMHDAPXST-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000649210546 388459036 /nfs/dbraw/zinc/45/90/36/388459036.db2.gz ZYUBYSBUBWFVFM-JQWIXIFHSA-N 1 2 247.342 1.608 20 0 BDADLO COCc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)no1 ZINC000515792193 256756115 /nfs/dbraw/zinc/75/61/15/256756115.db2.gz RJXAKWIVOXLDLF-IUCAKERBSA-N 1 2 210.277 1.804 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000648863843 388475304 /nfs/dbraw/zinc/47/53/04/388475304.db2.gz ZLEWHNGODARNAY-SCZZXKLOSA-N 1 2 235.287 1.346 20 0 BDADLO C[C@H](F)CCNc1[nH+]cnc2c1cnn2C ZINC000338743817 388476684 /nfs/dbraw/zinc/47/66/84/388476684.db2.gz AYMYWLCFUKHYDA-ZETCQYMHSA-N 1 2 223.255 1.523 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)CCn2cccn2)on1 ZINC000573101234 388419251 /nfs/dbraw/zinc/41/92/51/388419251.db2.gz JZSXDYRLTOTVEK-UHFFFAOYSA-N 1 2 248.286 1.206 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)CCn2cccn2)on1 ZINC000573101234 388419254 /nfs/dbraw/zinc/41/92/54/388419254.db2.gz JZSXDYRLTOTVEK-UHFFFAOYSA-N 1 2 248.286 1.206 20 0 BDADLO CCCCOCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000573104788 388419492 /nfs/dbraw/zinc/41/94/92/388419492.db2.gz DVVXAUFESCKSNT-UHFFFAOYSA-N 1 2 242.363 1.261 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308422282 388438793 /nfs/dbraw/zinc/43/87/93/388438793.db2.gz OOVALAXQJVSKLY-LPEHRKFASA-N 1 2 227.304 1.095 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308426316 388439002 /nfs/dbraw/zinc/43/90/02/388439002.db2.gz SKRXNNFTVRWUFT-UWVGGRQHSA-N 1 2 227.304 1.097 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@@H](C)CO ZINC000167222581 388439455 /nfs/dbraw/zinc/43/94/55/388439455.db2.gz IOKBVOYAWXGJGQ-DTWKUNHWSA-N 1 2 210.277 1.519 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548425670 388537154 /nfs/dbraw/zinc/53/71/54/388537154.db2.gz CBDDTXDPWXIHCX-YIZRAAEISA-N 1 2 225.292 1.760 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548425670 388537158 /nfs/dbraw/zinc/53/71/58/388537158.db2.gz CBDDTXDPWXIHCX-YIZRAAEISA-N 1 2 225.292 1.760 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000352707978 388538988 /nfs/dbraw/zinc/53/89/88/388538988.db2.gz ULVQSEBWLCASFP-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000528518356 388541480 /nfs/dbraw/zinc/54/14/80/388541480.db2.gz KICMLKFOAMFMRZ-UHFFFAOYSA-N 1 2 245.388 1.542 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc[nH+]1 ZINC000528533694 388543432 /nfs/dbraw/zinc/54/34/32/388543432.db2.gz MKCUWGJNFUVSJH-DCQANWLSSA-N 1 2 248.326 1.810 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2ncccc2Cl)C1 ZINC000528536876 388544913 /nfs/dbraw/zinc/54/49/13/388544913.db2.gz KWHVELKEJVATMA-UHFFFAOYSA-N 1 2 239.706 1.042 20 0 BDADLO CCC1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC000548519785 388545527 /nfs/dbraw/zinc/54/55/27/388545527.db2.gz BSLPNRPXXGTLNL-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@@H]1CCC[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000548520582 388545696 /nfs/dbraw/zinc/54/56/96/388545696.db2.gz GAJKTQAORZONJT-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@H]1C1CC1 ZINC000528567221 388547372 /nfs/dbraw/zinc/54/73/72/388547372.db2.gz GTQRJRCRMXOQRD-ZWKOPEQDSA-N 1 2 245.326 1.559 20 0 BDADLO CC(C)(CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000135590633 388501167 /nfs/dbraw/zinc/50/11/67/388501167.db2.gz STDGXTAHTOMNGM-UHFFFAOYSA-N 1 2 221.304 1.784 20 0 BDADLO CC[C@@]1(C)C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000135722398 388506210 /nfs/dbraw/zinc/50/62/10/388506210.db2.gz UDKSOOMTWYCGBS-ZDUSSCGKSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000135722398 388506213 /nfs/dbraw/zinc/50/62/13/388506213.db2.gz UDKSOOMTWYCGBS-ZDUSSCGKSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(Cc1ccoc1)N1CC(n2cc[nH+]c2)C1 ZINC000548128810 388515283 /nfs/dbraw/zinc/51/52/83/388515283.db2.gz JCDCANMNLDFCCP-UHFFFAOYSA-N 1 2 231.255 1.102 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000345846731 388517057 /nfs/dbraw/zinc/51/70/57/388517057.db2.gz XOGODXCYFMIYIU-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000345846731 388517061 /nfs/dbraw/zinc/51/70/61/388517061.db2.gz XOGODXCYFMIYIU-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548626218 388549656 /nfs/dbraw/zinc/54/96/56/388549656.db2.gz LVFIQDBWJWQSGV-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000548626218 388549658 /nfs/dbraw/zinc/54/96/58/388549658.db2.gz LVFIQDBWJWQSGV-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000345847739 388518142 /nfs/dbraw/zinc/51/81/42/388518142.db2.gz ZTMNBNGXXWVDDG-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000345847739 388518144 /nfs/dbraw/zinc/51/81/44/388518144.db2.gz ZTMNBNGXXWVDDG-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC000548192062 388521066 /nfs/dbraw/zinc/52/10/66/388521066.db2.gz KLLLALCDMNLHGH-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C(\C)Cl)[C@@H](C)C1 ZINC000528406861 388521151 /nfs/dbraw/zinc/52/11/51/388521151.db2.gz SMFHZCDCOGCPIC-LLGDCAAFSA-N 1 2 230.739 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C(\C)Cl)[C@@H](C)C1 ZINC000528406861 388521153 /nfs/dbraw/zinc/52/11/53/388521153.db2.gz SMFHZCDCOGCPIC-LLGDCAAFSA-N 1 2 230.739 1.682 20 0 BDADLO CCC[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000548191316 388521213 /nfs/dbraw/zinc/52/12/13/388521213.db2.gz VJVKMCYPDSAGMJ-JTQLQIEISA-N 1 2 223.320 1.610 20 0 BDADLO C[C@H](CC(=O)NCc1[nH+]ccn1C)c1ccco1 ZINC000528410934 388521346 /nfs/dbraw/zinc/52/13/46/388521346.db2.gz IZTRBMDTDSAXFS-SNVBAGLBSA-N 1 2 247.298 1.823 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C(/C)Cl)[C@H](C)C1 ZINC000528406863 388521413 /nfs/dbraw/zinc/52/14/13/388521413.db2.gz SMFHZCDCOGCPIC-ZUYFITGHSA-N 1 2 230.739 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C(/C)Cl)[C@H](C)C1 ZINC000528406863 388521416 /nfs/dbraw/zinc/52/14/16/388521416.db2.gz SMFHZCDCOGCPIC-ZUYFITGHSA-N 1 2 230.739 1.682 20 0 BDADLO CCC[C@H](CNc1ccc(CO)c[nH+]1)OC ZINC000378857045 388521874 /nfs/dbraw/zinc/52/18/74/388521874.db2.gz YRRRKOMBJIRYAT-LLVKDONJSA-N 1 2 224.304 1.801 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548258069 388523118 /nfs/dbraw/zinc/52/31/18/388523118.db2.gz RKMUYVVZYIEMDN-ZJUUUORDSA-N 1 2 223.320 1.513 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000528452415 388528632 /nfs/dbraw/zinc/52/86/32/388528632.db2.gz UAFMGUMRLSHGGG-WBJUDYSNSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000528452415 388528633 /nfs/dbraw/zinc/52/86/33/388528633.db2.gz UAFMGUMRLSHGGG-WBJUDYSNSA-N 1 2 233.739 1.601 20 0 BDADLO CCN1CC[N@H+](C/C=C(\C)Cl)[C@H](C)C1=O ZINC000528465288 388529765 /nfs/dbraw/zinc/52/97/65/388529765.db2.gz OTQAJVAHEKHSFA-NAZIUFLLSA-N 1 2 230.739 1.682 20 0 BDADLO CCN1CC[N@@H+](C/C=C(\C)Cl)[C@H](C)C1=O ZINC000528465288 388529766 /nfs/dbraw/zinc/52/97/66/388529766.db2.gz OTQAJVAHEKHSFA-NAZIUFLLSA-N 1 2 230.739 1.682 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC2(CCO2)CC1 ZINC000516981952 388530609 /nfs/dbraw/zinc/53/06/09/388530609.db2.gz ZSFYXIONRATVOA-UHFFFAOYSA-N 1 2 233.315 1.853 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000528473279 388531104 /nfs/dbraw/zinc/53/11/04/388531104.db2.gz FBZOLYHBQLOMTB-UWJYBYFXSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H]1C1CC1 ZINC000528473270 388531108 /nfs/dbraw/zinc/53/11/08/388531108.db2.gz FBZOLYHBQLOMTB-AXTRIDKLSA-N 1 2 233.315 1.660 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000517028740 388533269 /nfs/dbraw/zinc/53/32/69/388533269.db2.gz MODGMLKVAOGRDE-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000517028740 388533270 /nfs/dbraw/zinc/53/32/70/388533270.db2.gz MODGMLKVAOGRDE-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1C/C=C(/C)Cl ZINC000528509386 388535512 /nfs/dbraw/zinc/53/55/12/388535512.db2.gz SARPCBYASWBWSA-LBQOUHFTSA-N 1 2 233.739 1.866 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1C/C=C(/C)Cl ZINC000528509386 388535513 /nfs/dbraw/zinc/53/55/13/388535513.db2.gz SARPCBYASWBWSA-LBQOUHFTSA-N 1 2 233.739 1.866 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000245802073 388606629 /nfs/dbraw/zinc/60/66/29/388606629.db2.gz JOPWGFVKAPIBQH-RNJXMRFFSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000245802073 388606631 /nfs/dbraw/zinc/60/66/31/388606631.db2.gz JOPWGFVKAPIBQH-RNJXMRFFSA-N 1 2 227.226 1.019 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)o1 ZINC000303381915 388563765 /nfs/dbraw/zinc/56/37/65/388563765.db2.gz SEOYOPGGZKPXBD-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)o1 ZINC000303381915 388563768 /nfs/dbraw/zinc/56/37/68/388563768.db2.gz SEOYOPGGZKPXBD-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCCF)C1CC1 ZINC000137654206 388564887 /nfs/dbraw/zinc/56/48/87/388564887.db2.gz IIRRBIIYZDAVBK-SNVBAGLBSA-N 1 2 203.257 1.277 20 0 BDADLO Cc1nonc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528772849 388571808 /nfs/dbraw/zinc/57/18/08/388571808.db2.gz ZTKBFDPSVDXGPU-ZETCQYMHSA-N 1 2 231.246 1.998 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528772849 388571809 /nfs/dbraw/zinc/57/18/09/388571809.db2.gz ZTKBFDPSVDXGPU-ZETCQYMHSA-N 1 2 231.246 1.998 20 0 BDADLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)n[nH]1 ZINC000528790181 388574155 /nfs/dbraw/zinc/57/41/55/388574155.db2.gz VCAVWEJXSBRMRO-LLVKDONJSA-N 1 2 245.286 1.242 20 0 BDADLO O=c1ccc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)n[nH]1 ZINC000528790181 388574157 /nfs/dbraw/zinc/57/41/57/388574157.db2.gz VCAVWEJXSBRMRO-LLVKDONJSA-N 1 2 245.286 1.242 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549408485 388579093 /nfs/dbraw/zinc/57/90/93/388579093.db2.gz FUQNSZJZDAZKJU-SFYZADRCSA-N 1 2 237.246 1.252 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549408485 388579096 /nfs/dbraw/zinc/57/90/96/388579096.db2.gz FUQNSZJZDAZKJU-SFYZADRCSA-N 1 2 237.246 1.252 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCOC[C@@H]1C ZINC000521063799 256834268 /nfs/dbraw/zinc/83/42/68/256834268.db2.gz ZSFHANVMWMGVBI-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCOC[C@@H]1C ZINC000521063799 256834269 /nfs/dbraw/zinc/83/42/69/256834269.db2.gz ZSFHANVMWMGVBI-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000245454930 388581005 /nfs/dbraw/zinc/58/10/05/388581005.db2.gz AIPWTSIDSPAKMS-BDAKNGLRSA-N 1 2 243.307 1.244 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000245454930 388581008 /nfs/dbraw/zinc/58/10/08/388581008.db2.gz AIPWTSIDSPAKMS-BDAKNGLRSA-N 1 2 243.307 1.244 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](OC(F)F)C1 ZINC000522014765 388675087 /nfs/dbraw/zinc/67/50/87/388675087.db2.gz XLDVANNXTDZJFW-VIFPVBQESA-N 1 2 243.257 1.911 20 0 BDADLO Cc1nc(N)c(CNC(=O)CC2CCC2)c[nH+]1 ZINC000552183895 388678024 /nfs/dbraw/zinc/67/80/24/388678024.db2.gz GKOBDTNDCGAFCC-UHFFFAOYSA-N 1 2 234.303 1.004 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000328368887 388641747 /nfs/dbraw/zinc/64/17/47/388641747.db2.gz HVQNGZDNZJRWHN-VIFPVBQESA-N 1 2 229.320 1.485 20 0 BDADLO COC[C@@H](C)n1ccc(NCc2c[nH+]cn2C)n1 ZINC000189862693 388643894 /nfs/dbraw/zinc/64/38/94/388643894.db2.gz JOFYOLKLRWDYHE-SNVBAGLBSA-N 1 2 249.318 1.436 20 0 BDADLO Cc1oncc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000248601240 388685059 /nfs/dbraw/zinc/68/50/59/388685059.db2.gz VCKROCYOZFTVMZ-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1oncc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000248601240 388685061 /nfs/dbraw/zinc/68/50/61/388685061.db2.gz VCKROCYOZFTVMZ-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN1Cc2ccccc2C1 ZINC000189929388 388645041 /nfs/dbraw/zinc/64/50/41/388645041.db2.gz GQDNEHHREFWNJF-CYBMUJFWSA-N 1 2 246.354 1.723 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN1Cc2ccccc2C1 ZINC000189929388 388645042 /nfs/dbraw/zinc/64/50/42/388645042.db2.gz GQDNEHHREFWNJF-CYBMUJFWSA-N 1 2 246.354 1.723 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000552043071 388662944 /nfs/dbraw/zinc/66/29/44/388662944.db2.gz UXYPOGTUVCQXFO-NSHDSACASA-N 1 2 249.314 1.802 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000552043071 388662945 /nfs/dbraw/zinc/66/29/45/388662945.db2.gz UXYPOGTUVCQXFO-NSHDSACASA-N 1 2 249.314 1.802 20 0 BDADLO COc1c(C)c[nH+]c(CN(C)C(N)=O)c1C ZINC000194602422 388735947 /nfs/dbraw/zinc/73/59/47/388735947.db2.gz ARWYNOLZJSBHPC-UHFFFAOYSA-N 1 2 223.276 1.218 20 0 BDADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)o1 ZINC000522259059 388738977 /nfs/dbraw/zinc/73/89/77/388738977.db2.gz GWEYGJOEIZZNNA-UHFFFAOYSA-N 1 2 245.282 1.790 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cnccn1 ZINC000539063523 388746038 /nfs/dbraw/zinc/74/60/38/388746038.db2.gz JIDCHFITGGUFHH-ONGXEEELSA-N 1 2 243.314 1.928 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N(C)CC(N)=O)[nH+]1 ZINC000631059886 388750832 /nfs/dbraw/zinc/75/08/32/388750832.db2.gz RUNPZSLURGVJNL-UHFFFAOYSA-N 1 2 247.302 1.003 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000227518410 388751954 /nfs/dbraw/zinc/75/19/54/388751954.db2.gz QRLNEPUGWQWWQC-HBNTYKKESA-N 1 2 243.347 1.874 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)o1 ZINC000251871422 388755621 /nfs/dbraw/zinc/75/56/21/388755621.db2.gz PBEREUYMZGZCTM-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)o1 ZINC000251871422 388755626 /nfs/dbraw/zinc/75/56/26/388755626.db2.gz PBEREUYMZGZCTM-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCO1 ZINC000065353057 388690909 /nfs/dbraw/zinc/69/09/09/388690909.db2.gz DPIOMAAMFHDSBT-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCO1 ZINC000065353057 388690911 /nfs/dbraw/zinc/69/09/11/388690911.db2.gz DPIOMAAMFHDSBT-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCC1(CC)[C@H]([NH2+]CC(=O)OC)[C@H](C)[C@H]1OC ZINC000248834375 388695380 /nfs/dbraw/zinc/69/53/80/388695380.db2.gz MULHAEWRNYJJEQ-MVWJERBFSA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC(C)C)[C@H](C)O ZINC000248960362 388701086 /nfs/dbraw/zinc/70/10/86/388701086.db2.gz BAPKCQMTSQVLOB-OUAUKWLOSA-N 1 2 231.336 1.323 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCSC(C)(C)C1 ZINC000193379295 388702046 /nfs/dbraw/zinc/70/20/46/388702046.db2.gz JKIKNCCVLFYYPK-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO CCn1ncnc1C[N@H+]1CCSC(C)(C)C1 ZINC000193379295 388702051 /nfs/dbraw/zinc/70/20/51/388702051.db2.gz JKIKNCCVLFYYPK-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000564208648 388707237 /nfs/dbraw/zinc/70/72/37/388707237.db2.gz NYXQNKZBDTZIDK-SECBINFHSA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000564208648 388707239 /nfs/dbraw/zinc/70/72/39/388707239.db2.gz NYXQNKZBDTZIDK-SECBINFHSA-N 1 2 227.333 1.537 20 0 BDADLO Cc1nc(CC[N@@H+]2CCC(=O)[C@H](C)C2)cs1 ZINC000226363741 388715443 /nfs/dbraw/zinc/71/54/43/388715443.db2.gz ZLBKPWZPQPOQCA-SECBINFHSA-N 1 2 238.356 1.905 20 0 BDADLO Cc1nc(CC[N@H+]2CCC(=O)[C@H](C)C2)cs1 ZINC000226363741 388715445 /nfs/dbraw/zinc/71/54/45/388715445.db2.gz ZLBKPWZPQPOQCA-SECBINFHSA-N 1 2 238.356 1.905 20 0 BDADLO CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522234634 388729148 /nfs/dbraw/zinc/72/91/48/388729148.db2.gz YLNRLAUEUIHMLV-SECBINFHSA-N 1 2 245.286 1.191 20 0 BDADLO C[N@@H+](Cc1ccno1)C[C@@H](O)C(F)(F)F ZINC000540319113 388802289 /nfs/dbraw/zinc/80/22/89/388802289.db2.gz JPYRHOCRGXLRJN-SSDOTTSWSA-N 1 2 224.182 1.030 20 0 BDADLO C[N@H+](Cc1ccno1)C[C@@H](O)C(F)(F)F ZINC000540319113 388802291 /nfs/dbraw/zinc/80/22/91/388802291.db2.gz JPYRHOCRGXLRJN-SSDOTTSWSA-N 1 2 224.182 1.030 20 0 BDADLO C[C@H]([N@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000540339843 388803460 /nfs/dbraw/zinc/80/34/60/388803460.db2.gz CLNDORILIMGGNE-ZETCQYMHSA-N 1 2 212.297 1.377 20 0 BDADLO C[C@H]([N@@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000540339843 388803466 /nfs/dbraw/zinc/80/34/66/388803466.db2.gz CLNDORILIMGGNE-ZETCQYMHSA-N 1 2 212.297 1.377 20 0 BDADLO CCc1ncc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cn1 ZINC000553532940 388781026 /nfs/dbraw/zinc/78/10/26/388781026.db2.gz WBNPJHZFVPZKDA-SNVBAGLBSA-N 1 2 248.330 1.318 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000554400613 388813259 /nfs/dbraw/zinc/81/32/59/388813259.db2.gz IRKLSUXEVSJEQV-LBPRGKRZSA-N 1 2 235.331 1.610 20 0 BDADLO CCCCc1noc(Cn2cc[nH+]c2)n1 ZINC000128718807 388789886 /nfs/dbraw/zinc/78/98/86/388789886.db2.gz VSIIRKUDHPTWRO-UHFFFAOYSA-N 1 2 206.249 1.657 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1c[nH]c(=O)cc1C ZINC000129103495 388817604 /nfs/dbraw/zinc/81/76/04/388817604.db2.gz APYPDUOBTNRQGX-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1C ZINC000093050636 388824036 /nfs/dbraw/zinc/82/40/36/388824036.db2.gz IWCBMIRCRFDRCH-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1C ZINC000093050636 388824039 /nfs/dbraw/zinc/82/40/39/388824039.db2.gz IWCBMIRCRFDRCH-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cc(NC(=O)N2CCCCO2)c(C)c[nH+]1 ZINC000554882510 388835056 /nfs/dbraw/zinc/83/50/56/388835056.db2.gz WAORRLBVNBHVCH-UHFFFAOYSA-N 1 2 235.287 1.680 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000564757891 388887524 /nfs/dbraw/zinc/88/75/24/388887524.db2.gz YDPFBRYYPRHVMS-MXWKQRLJSA-N 1 2 233.315 1.455 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCS[C@H]1C ZINC000649173124 388889997 /nfs/dbraw/zinc/88/99/97/388889997.db2.gz OLWYVGMAIHTGNE-DTWKUNHWSA-N 1 2 239.344 1.271 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCS[C@H]1C ZINC000649173124 388890000 /nfs/dbraw/zinc/89/00/00/388890000.db2.gz OLWYVGMAIHTGNE-DTWKUNHWSA-N 1 2 239.344 1.271 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@]23CCNC3=O)oc1C ZINC000565175900 388920913 /nfs/dbraw/zinc/92/09/13/388920913.db2.gz XHALVSINSUOWNZ-ZDUSSCGKSA-N 1 2 249.314 1.146 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@]23CCNC3=O)oc1C ZINC000565175900 388920915 /nfs/dbraw/zinc/92/09/15/388920915.db2.gz XHALVSINSUOWNZ-ZDUSSCGKSA-N 1 2 249.314 1.146 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565184244 388923196 /nfs/dbraw/zinc/92/31/96/388923196.db2.gz VGWVICBGKGGIMN-IUCAKERBSA-N 1 2 237.303 1.072 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565184244 388923199 /nfs/dbraw/zinc/92/31/99/388923199.db2.gz VGWVICBGKGGIMN-IUCAKERBSA-N 1 2 237.303 1.072 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC(C)(F)F ZINC000565225803 388928272 /nfs/dbraw/zinc/92/82/72/388928272.db2.gz HHYBCQRBRLBZFS-UHFFFAOYSA-N 1 2 215.247 1.973 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H]([C@H](C)O)C1 ZINC000565229414 388929593 /nfs/dbraw/zinc/92/95/93/388929593.db2.gz MTDBWWNVTXJWHX-CMPLNLGQSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1cc(C[N@H+](C)CCN2CCCC2=O)on1 ZINC000565264507 388933781 /nfs/dbraw/zinc/93/37/81/388933781.db2.gz JBESXZZGTOEOKA-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1cc(C[N@@H+](C)CCN2CCCC2=O)on1 ZINC000565264507 388933783 /nfs/dbraw/zinc/93/37/83/388933783.db2.gz JBESXZZGTOEOKA-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CO[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301292308 132252813 /nfs/dbraw/zinc/25/28/13/132252813.db2.gz WZMGULAMJCPXBZ-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000267339742 388998950 /nfs/dbraw/zinc/99/89/50/388998950.db2.gz LEXDLCAOCZPYJQ-JZYVYDRUSA-N 1 2 219.288 1.380 20 0 BDADLO CN(C)c1ccc(NCc2ccn(C)n2)c[nH+]1 ZINC000269450170 389009225 /nfs/dbraw/zinc/00/92/25/389009225.db2.gz VQSPEGLXVYZEAU-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO COCC[N@H+](Cc1cscn1)[C@H]1CCOC1 ZINC000490059175 533338406 /nfs/dbraw/zinc/33/84/06/533338406.db2.gz LCGRFKQXAGZYIY-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO COCC[N@@H+](Cc1cscn1)[C@H]1CCOC1 ZINC000490059175 533338413 /nfs/dbraw/zinc/33/84/13/533338413.db2.gz LCGRFKQXAGZYIY-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493482721 533369186 /nfs/dbraw/zinc/36/91/86/533369186.db2.gz JKXULBWPGJKCOG-UDIARPCQSA-N 1 2 219.288 1.680 20 0 BDADLO Cc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)nn1C ZINC000488244978 533588046 /nfs/dbraw/zinc/58/80/46/533588046.db2.gz QJSXNFREVLZZPP-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)nn1C ZINC000488244978 533588050 /nfs/dbraw/zinc/58/80/50/533588050.db2.gz QJSXNFREVLZZPP-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO CSCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000174753373 533542730 /nfs/dbraw/zinc/54/27/30/533542730.db2.gz CETNVUUXKPDRRG-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO Cc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)no1 ZINC000492890929 533642043 /nfs/dbraw/zinc/64/20/43/533642043.db2.gz CIHQVUSICAXYDD-NSCUHMNNSA-N 1 2 232.243 1.036 20 0 BDADLO Cc1cc(N2CCC(CO)CC2)nc(C2CC2)[nH+]1 ZINC000264611228 132179155 /nfs/dbraw/zinc/17/91/55/132179155.db2.gz FJOKRVDEKUTXGI-UHFFFAOYSA-N 1 2 247.342 1.871 20 0 BDADLO Cc1cc(N2CCO[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000264600963 132179326 /nfs/dbraw/zinc/17/93/26/132179326.db2.gz BNSNXPUBMNQYHV-JTQLQIEISA-N 1 2 233.315 1.888 20 0 BDADLO Cc1cc(N2CCOC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000265395110 132181818 /nfs/dbraw/zinc/18/18/18/132181818.db2.gz WAJIAYAWFIGENQ-JTQLQIEISA-N 1 2 233.315 1.888 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC000265818429 132182787 /nfs/dbraw/zinc/18/27/87/132182787.db2.gz HJUWQOYYISXOHW-NXEZZACHSA-N 1 2 245.330 1.988 20 0 BDADLO Cc1nc(N2CCC[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000267857680 132190916 /nfs/dbraw/zinc/19/09/16/132190916.db2.gz CCOQFFYSBJLPEL-LLVKDONJSA-N 1 2 247.342 1.625 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC=C(F)C1 ZINC000274311426 132202709 /nfs/dbraw/zinc/20/27/09/132202709.db2.gz QSAUKYDWVUBDDS-UHFFFAOYSA-N 1 2 233.250 1.427 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2CC(F)F)cc[nH+]1 ZINC000286388648 132214613 /nfs/dbraw/zinc/21/46/13/132214613.db2.gz MMAHDCCTJRSBDM-VIFPVBQESA-N 1 2 243.257 1.645 20 0 BDADLO Clc1cc(N2CCn3c[nH+]cc3C2)ccn1 ZINC000290602151 132217157 /nfs/dbraw/zinc/21/71/57/132217157.db2.gz DWRJNDSSJGONEE-UHFFFAOYSA-N 1 2 234.690 1.952 20 0 BDADLO Cc1nc(Cl)cc(N2CCn3c[nH+]cc3C2)n1 ZINC000290793717 132217408 /nfs/dbraw/zinc/21/74/08/132217408.db2.gz XSVKZBHUIWZMMK-UHFFFAOYSA-N 1 2 249.705 1.655 20 0 BDADLO COCC[C@H]1COCCN1c1cc[nH+]c(C)n1 ZINC000292360290 132218754 /nfs/dbraw/zinc/21/87/54/132218754.db2.gz OTNDIQROBSKCRQ-NSHDSACASA-N 1 2 237.303 1.027 20 0 BDADLO Cc1cc(N2CCNC(=O)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000340732841 132225200 /nfs/dbraw/zinc/22/52/00/132225200.db2.gz BEOUZLRJKFFXGQ-SNVBAGLBSA-N 1 2 248.330 1.233 20 0 BDADLO Cc1cc(N2CCO[C@@H](c3ccco3)C2)nc[nH+]1 ZINC000133426962 132238109 /nfs/dbraw/zinc/23/81/09/132238109.db2.gz IRBMXRCBUUFYPY-GFCCVEGCSA-N 1 2 245.282 1.956 20 0 BDADLO Cc1cc(N2CCc3n[nH]cc3C2)nc[nH+]1 ZINC000301226999 132251569 /nfs/dbraw/zinc/25/15/69/132251569.db2.gz GRSVMARBLGPUFX-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CC[C@@H]1O ZINC000302403487 132263268 /nfs/dbraw/zinc/26/32/68/132263268.db2.gz KITBCWXLNSCNPJ-KOLCDFICSA-N 1 2 233.315 1.561 20 0 BDADLO CO[C@H]1CN(c2cc(C)[nH+]cn2)CC[C@H]1C ZINC000302570993 132264740 /nfs/dbraw/zinc/26/47/40/132264740.db2.gz QMGBWAWYNJXIBN-KOLCDFICSA-N 1 2 221.304 1.646 20 0 BDADLO OCC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110212008 132267635 /nfs/dbraw/zinc/26/76/35/132267635.db2.gz NPEARFOSKUTMBH-UHFFFAOYSA-N 1 2 233.315 1.563 20 0 BDADLO Cc1nc(N2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000359225651 132276058 /nfs/dbraw/zinc/27/60/58/132276058.db2.gz FXOTVMBYRIPLFB-SECBINFHSA-N 1 2 235.335 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H](C)C2)[nH+]1 ZINC000359225651 132276059 /nfs/dbraw/zinc/27/60/59/132276059.db2.gz FXOTVMBYRIPLFB-SECBINFHSA-N 1 2 235.335 1.482 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncc(C)c(C)n1)CC2 ZINC000374714217 132287534 /nfs/dbraw/zinc/28/75/34/132287534.db2.gz LQAZZZPWKWZCCK-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO O=C1NC[C@]2(CCCN(c3cccc[nH+]3)C2)O1 ZINC000375563394 132288504 /nfs/dbraw/zinc/28/85/04/132288504.db2.gz GFXDKTGCHCWJCM-LBPRGKRZSA-N 1 2 233.271 1.160 20 0 BDADLO C[C@H]1OCC[C@@]12CN(c1cccc[nH+]1)CCO2 ZINC000376021372 132288521 /nfs/dbraw/zinc/28/85/21/132288521.db2.gz LNADJMUNUQCIJT-DGCLKSJQSA-N 1 2 234.299 1.466 20 0 BDADLO Cc1ccc(N2CC[N@@H+](C[C@H](C)O)CC2=O)cc1 ZINC000375632751 132288550 /nfs/dbraw/zinc/28/85/50/132288550.db2.gz WPTRCXBXTAAHFE-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO Cc1ccc(N2CC[N@H+](C[C@H](C)O)CC2=O)cc1 ZINC000375632751 132288552 /nfs/dbraw/zinc/28/85/52/132288552.db2.gz WPTRCXBXTAAHFE-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO c1cc2[nH+]ccc(N3C[C@H]4CC[C@@H](C3)O4)c2cn1 ZINC000364056628 132448687 /nfs/dbraw/zinc/44/86/87/132448687.db2.gz PICUYAONTSOIKH-PHIMTYICSA-N 1 2 241.294 1.997 20 0 BDADLO CCc1nc(N2CCN(C)C(=O)[C@@H]2C)cc(C)[nH+]1 ZINC000343026697 133615629 /nfs/dbraw/zinc/61/56/29/133615629.db2.gz OOIBWGHKQABRKL-JTQLQIEISA-N 1 2 248.330 1.014 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nc(C)no1 ZINC000343598671 133694357 /nfs/dbraw/zinc/69/43/57/133694357.db2.gz DQRKMWNHFKOKHA-MRVPVSSYSA-N 1 2 241.291 1.152 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nc(C)no1 ZINC000343598671 133694358 /nfs/dbraw/zinc/69/43/58/133694358.db2.gz DQRKMWNHFKOKHA-MRVPVSSYSA-N 1 2 241.291 1.152 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@H]1C ZINC000349680914 133902213 /nfs/dbraw/zinc/90/22/13/133902213.db2.gz SGUWBJIYUYLDHY-GMTAPVOTSA-N 1 2 236.319 1.369 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccc(C)o2)n1 ZINC000349903797 133925369 /nfs/dbraw/zinc/92/53/69/133925369.db2.gz BKKNKOGVRQUFOG-UHFFFAOYSA-N 1 2 221.260 1.476 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)CC[S@]1=O ZINC000351924473 134006433 /nfs/dbraw/zinc/00/64/33/134006433.db2.gz GFWHYHMZJDCHBG-UHIISALHSA-N 1 2 213.346 1.548 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[S@]1=O ZINC000351924473 134006434 /nfs/dbraw/zinc/00/64/34/134006434.db2.gz GFWHYHMZJDCHBG-UHIISALHSA-N 1 2 213.346 1.548 20 0 BDADLO O=C(c1cc(F)c[nH]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335936967 134012814 /nfs/dbraw/zinc/01/28/14/134012814.db2.gz GTMCYDTZGSPZMK-JTQLQIEISA-N 1 2 248.261 1.854 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000335945356 134019841 /nfs/dbraw/zinc/01/98/41/134019841.db2.gz CAJWCDNWHAAQOR-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000335945356 134019842 /nfs/dbraw/zinc/01/98/42/134019842.db2.gz CAJWCDNWHAAQOR-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO c1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)n[nH]1 ZINC000335960139 134026487 /nfs/dbraw/zinc/02/64/87/134026487.db2.gz ATZSCDRPMNIBEA-OLZOCXBDSA-N 1 2 233.315 1.553 20 0 BDADLO c1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)n[nH]1 ZINC000335960139 134026488 /nfs/dbraw/zinc/02/64/88/134026488.db2.gz ATZSCDRPMNIBEA-OLZOCXBDSA-N 1 2 233.315 1.553 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000335960182 134026496 /nfs/dbraw/zinc/02/64/96/134026496.db2.gz GNTXTIZWXKEGDB-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO CC(C)N1CC[N@H+](C[C@H]2CCCCO2)CC1=O ZINC000335961006 134026901 /nfs/dbraw/zinc/02/69/01/134026901.db2.gz DPBFWXQUMCHOLX-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@H]2CCCCO2)CC1=O ZINC000335961006 134026902 /nfs/dbraw/zinc/02/69/02/134026902.db2.gz DPBFWXQUMCHOLX-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@H]1C(F)F ZINC000335964817 134027898 /nfs/dbraw/zinc/02/78/98/134027898.db2.gz NGJDKOXDHNFORJ-CBAPKCEASA-N 1 2 241.241 1.587 20 0 BDADLO O=C1NCc2c1cccc2NCc1[nH]cc[nH+]1 ZINC000335987302 134039004 /nfs/dbraw/zinc/03/90/04/134039004.db2.gz LJXOKDWSVTXCDO-UHFFFAOYSA-N 1 2 228.255 1.265 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000336022364 134055862 /nfs/dbraw/zinc/05/58/62/134055862.db2.gz YRCMPGZRTFFGNX-SECBINFHSA-N 1 2 242.282 1.092 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000336022364 134055863 /nfs/dbraw/zinc/05/58/63/134055863.db2.gz YRCMPGZRTFFGNX-SECBINFHSA-N 1 2 242.282 1.092 20 0 BDADLO O=C(CC1CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336028828 134058062 /nfs/dbraw/zinc/05/80/62/134058062.db2.gz IPRLYEHJTBDLQX-JTQLQIEISA-N 1 2 233.315 1.573 20 0 BDADLO O=C(CC1CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336028828 134058063 /nfs/dbraw/zinc/05/80/63/134058063.db2.gz IPRLYEHJTBDLQX-JTQLQIEISA-N 1 2 233.315 1.573 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)c1cccs1 ZINC000336045216 134063342 /nfs/dbraw/zinc/06/33/42/134063342.db2.gz XWBNUVNWWDAMJX-UHFFFAOYSA-N 1 2 242.325 1.456 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)NCc1[nH+]ccn1C ZINC000336054772 134066124 /nfs/dbraw/zinc/06/61/24/134066124.db2.gz SWFNNUPYONORBY-RKDXNWHRSA-N 1 2 222.292 1.112 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCCO1 ZINC000336067564 134071116 /nfs/dbraw/zinc/07/11/16/134071116.db2.gz ZSZJMHSCJMOCAA-LLVKDONJSA-N 1 2 249.314 1.390 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cncn1C ZINC000336092974 134079121 /nfs/dbraw/zinc/07/91/21/134079121.db2.gz LZUUEJQNMLNASP-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000336131530 134094799 /nfs/dbraw/zinc/09/47/99/134094799.db2.gz ZEVRLHMBGIPYAE-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000336131530 134094800 /nfs/dbraw/zinc/09/48/00/134094800.db2.gz ZEVRLHMBGIPYAE-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO Cc1cc(C)c(NC(=O)N2CCOCC2)c(C)[nH+]1 ZINC000336145180 134101956 /nfs/dbraw/zinc/10/19/56/134101956.db2.gz URTMPTFJTMVQES-UHFFFAOYSA-N 1 2 249.314 1.871 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)on1 ZINC000336191060 134123259 /nfs/dbraw/zinc/12/32/59/134123259.db2.gz HNCLAFNQSKCNDB-ZWNOBZJWSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)on1 ZINC000336191060 134123260 /nfs/dbraw/zinc/12/32/60/134123260.db2.gz HNCLAFNQSKCNDB-ZWNOBZJWSA-N 1 2 236.315 1.982 20 0 BDADLO O[C@@]1(C(F)F)CC[N@H+](Cc2cncc(F)c2)C1 ZINC000336206872 134132037 /nfs/dbraw/zinc/13/20/37/134132037.db2.gz IECCOJXDTHEZQQ-NSHDSACASA-N 1 2 246.232 1.423 20 0 BDADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000336206872 134132038 /nfs/dbraw/zinc/13/20/38/134132038.db2.gz IECCOJXDTHEZQQ-NSHDSACASA-N 1 2 246.232 1.423 20 0 BDADLO C[C@H]1C[N@H+](Cc2coc3ccccc23)CC(=O)N1 ZINC000336218267 134138084 /nfs/dbraw/zinc/13/80/84/134138084.db2.gz SZAQVBBKFRJAFJ-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[N@@H+](Cc2coc3ccccc23)CC(=O)N1 ZINC000336218267 134138085 /nfs/dbraw/zinc/13/80/85/134138085.db2.gz SZAQVBBKFRJAFJ-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccncc1F ZINC000336219940 134138752 /nfs/dbraw/zinc/13/87/52/134138752.db2.gz RIYVKMSSSHLRQY-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccncc1F ZINC000336219940 134138753 /nfs/dbraw/zinc/13/87/53/134138753.db2.gz RIYVKMSSSHLRQY-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCCS1)C(=O)OC ZINC000168388768 134197762 /nfs/dbraw/zinc/19/77/62/134197762.db2.gz HFOARKQAEUQYJA-RKDXNWHRSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1nc(NCC2(CO)CCCC2)cc[nH+]1 ZINC000168711254 134246735 /nfs/dbraw/zinc/24/67/35/134246735.db2.gz JANJYMBWAIAQBI-UHFFFAOYSA-N 1 2 221.304 1.750 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccsc2)n1 ZINC000218954099 134268755 /nfs/dbraw/zinc/26/87/55/134268755.db2.gz JQZNBRYIVUDFPQ-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000180763412 134331242 /nfs/dbraw/zinc/33/12/42/134331242.db2.gz IRDUMFTZGYDBDZ-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccnc1C ZINC000180763412 134331243 /nfs/dbraw/zinc/33/12/43/134331243.db2.gz IRDUMFTZGYDBDZ-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COCc1nc(C[N@H+](C)C2CCCCC2)no1 ZINC000182391178 134345022 /nfs/dbraw/zinc/34/50/22/134345022.db2.gz RSQTUOBPKARNIO-UHFFFAOYSA-N 1 2 239.319 1.981 20 0 BDADLO COCc1nc(C[N@@H+](C)C2CCCCC2)no1 ZINC000182391178 134345023 /nfs/dbraw/zinc/34/50/23/134345023.db2.gz RSQTUOBPKARNIO-UHFFFAOYSA-N 1 2 239.319 1.981 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](CO)OC[C@H]2C)s1 ZINC000227399672 134379167 /nfs/dbraw/zinc/37/91/67/134379167.db2.gz AZCNTUVQNCSLHN-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)s1 ZINC000227399672 134379168 /nfs/dbraw/zinc/37/91/68/134379168.db2.gz AZCNTUVQNCSLHN-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ccc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000154674103 134674962 /nfs/dbraw/zinc/67/49/62/134674962.db2.gz OBOCYLRILSMTFE-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1nccs1 ZINC000070733137 135012078 /nfs/dbraw/zinc/01/20/78/135012078.db2.gz CQROFNINJMDRFG-PHDIDXHHSA-N 1 2 240.250 1.717 20 0 BDADLO Cc1csc([C@H](C)[NH2+]CC(=O)NC2CC2)n1 ZINC000070733587 135012147 /nfs/dbraw/zinc/01/21/47/135012147.db2.gz CBEBFRNAFPWVCQ-QMMMGPOBSA-N 1 2 239.344 1.381 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1OC ZINC000250659808 135056997 /nfs/dbraw/zinc/05/69/97/135056997.db2.gz DSODNJVYQAQNCC-GARJFASQSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000251961455 135082335 /nfs/dbraw/zinc/08/23/35/135082335.db2.gz VRXWAKCPVAFNAN-HBNTYKKESA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnc(N)s1 ZINC000086765841 135096408 /nfs/dbraw/zinc/09/64/08/135096408.db2.gz QHEFPMIMSRDRJW-QMMMGPOBSA-N 1 2 227.333 1.336 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnc(N)s1 ZINC000086765841 135096409 /nfs/dbraw/zinc/09/64/09/135096409.db2.gz QHEFPMIMSRDRJW-QMMMGPOBSA-N 1 2 227.333 1.336 20 0 BDADLO Cc1cscc1C(=O)NCc1c[nH+]c[nH]1 ZINC000086816155 135097809 /nfs/dbraw/zinc/09/78/09/135097809.db2.gz DYTBDLBMKNGFAE-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO Cc1cscc1C(=O)NCc1c[nH]c[nH+]1 ZINC000086816155 135097810 /nfs/dbraw/zinc/09/78/10/135097810.db2.gz DYTBDLBMKNGFAE-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO O[C@@H]1CC[C@H]2CN(c3cccc[nH+]3)C[C@H]12 ZINC000252850731 135112859 /nfs/dbraw/zinc/11/28/59/135112859.db2.gz FJTIQVHQKUAAMD-GARJFASQSA-N 1 2 204.273 1.289 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCc1ccccc1 ZINC000078288418 135118334 /nfs/dbraw/zinc/11/83/34/135118334.db2.gz LZFUFQYHLPSVHG-UHFFFAOYSA-N 1 2 243.310 1.632 20 0 BDADLO O=C(NCCC1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263090037 135124436 /nfs/dbraw/zinc/12/44/36/135124436.db2.gz YJKOSPONYMDNIH-SNVBAGLBSA-N 1 2 246.301 1.680 20 0 BDADLO CSCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000267032064 135151041 /nfs/dbraw/zinc/15/10/41/135151041.db2.gz DXBFCZNCIVAKOZ-SNVBAGLBSA-N 1 2 241.360 1.389 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C1CC1 ZINC000267036551 135151275 /nfs/dbraw/zinc/15/12/75/135151275.db2.gz GJKFKYQRTJTAQX-ZJUUUORDSA-N 1 2 221.304 1.434 20 0 BDADLO CCN(Cc1noc(C[NH3+])n1)CC(C)C ZINC000261535893 135170852 /nfs/dbraw/zinc/17/08/52/135170852.db2.gz POZXETXMLXBTMF-UHFFFAOYSA-N 1 2 212.297 1.006 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccoc1 ZINC000084093936 135185931 /nfs/dbraw/zinc/18/59/31/135185931.db2.gz HIYUCOSGBITIPS-LLVKDONJSA-N 1 2 223.272 1.663 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccoc1 ZINC000084093936 135185933 /nfs/dbraw/zinc/18/59/33/135185933.db2.gz HIYUCOSGBITIPS-LLVKDONJSA-N 1 2 223.272 1.663 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC(C)C ZINC000342403965 135271341 /nfs/dbraw/zinc/27/13/41/135271341.db2.gz GFRYLLLQWIIUEV-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC(C)C ZINC000342403965 135271342 /nfs/dbraw/zinc/27/13/42/135271342.db2.gz GFRYLLLQWIIUEV-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000342517773 135285928 /nfs/dbraw/zinc/28/59/28/135285928.db2.gz XTMUWZBTUDNUEK-RKDXNWHRSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1ccoc1 ZINC000342628112 135297543 /nfs/dbraw/zinc/29/75/43/135297543.db2.gz CHIPKBKRLQMROT-VIFPVBQESA-N 1 2 222.288 1.379 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccoc1 ZINC000342628112 135297545 /nfs/dbraw/zinc/29/75/45/135297545.db2.gz CHIPKBKRLQMROT-VIFPVBQESA-N 1 2 222.288 1.379 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@@H]2CCCO2)s1 ZINC000342600125 135301234 /nfs/dbraw/zinc/30/12/34/135301234.db2.gz JUXBISRKBGJPEW-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@@H]2CCCO2)s1 ZINC000342600125 135301235 /nfs/dbraw/zinc/30/12/35/135301235.db2.gz JUXBISRKBGJPEW-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO Cc1c[nH+]c(CN2CC[C@@](C)(F)C2)n1C ZINC000342780851 135317320 /nfs/dbraw/zinc/31/73/20/135317320.db2.gz MBMIJAZJPJKUMK-LLVKDONJSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@H](C)c2cnn(C)c2)n1C ZINC000342780601 135317723 /nfs/dbraw/zinc/31/77/23/135317723.db2.gz QGNXFKQUJIUPRS-LLVKDONJSA-N 1 2 247.346 1.655 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1ncc(C)n1C ZINC000342800953 135322125 /nfs/dbraw/zinc/32/21/25/135322125.db2.gz VQKMFRYRINFLAP-SNVBAGLBSA-N 1 2 211.309 1.195 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1ncc(C)n1C ZINC000342800953 135322126 /nfs/dbraw/zinc/32/21/26/135322126.db2.gz VQKMFRYRINFLAP-SNVBAGLBSA-N 1 2 211.309 1.195 20 0 BDADLO COC[C@@H](C)N(C)Cc1[nH+]cc(C)n1C ZINC000342800953 135322127 /nfs/dbraw/zinc/32/21/27/135322127.db2.gz VQKMFRYRINFLAP-SNVBAGLBSA-N 1 2 211.309 1.195 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262901603 135323407 /nfs/dbraw/zinc/32/34/07/135323407.db2.gz DQKZIRSPLYKYIU-KXUCPTDWSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cncs1 ZINC000334168283 135324437 /nfs/dbraw/zinc/32/44/37/135324437.db2.gz AWVRYLVCGBYGCW-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cncs1 ZINC000334168283 135324438 /nfs/dbraw/zinc/32/44/38/135324438.db2.gz AWVRYLVCGBYGCW-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO COCCN(Cc1[nH+]cc(C)n1C)C1CC1 ZINC000342768157 135326223 /nfs/dbraw/zinc/32/62/23/135326223.db2.gz IUDWJWQLQHMJBZ-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO COCC[N@H+](Cc1ncc(C)n1C)C1CC1 ZINC000342768157 135326225 /nfs/dbraw/zinc/32/62/25/135326225.db2.gz IUDWJWQLQHMJBZ-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO COCC[N@@H+](Cc1ncc(C)n1C)C1CC1 ZINC000342768157 135326226 /nfs/dbraw/zinc/32/62/26/135326226.db2.gz IUDWJWQLQHMJBZ-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN2CCOC(C)(C)C2)n1C ZINC000342772282 135327882 /nfs/dbraw/zinc/32/78/82/135327882.db2.gz BOIXIUYYCNLJFN-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263070126 135330881 /nfs/dbraw/zinc/33/08/81/135330881.db2.gz WLHRONMTEDSBST-RKDXNWHRSA-N 1 2 232.274 1.242 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263131036 135335035 /nfs/dbraw/zinc/33/50/35/135335035.db2.gz BRSHTKGKGWJFSO-VIFPVBQESA-N 1 2 232.274 1.242 20 0 BDADLO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2cccnc2)no1 ZINC000263146706 135335353 /nfs/dbraw/zinc/33/53/53/135335353.db2.gz CUYCZYUAONKUBM-SCZZXKLOSA-N 1 2 246.270 1.181 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263279458 135344130 /nfs/dbraw/zinc/34/41/30/135344130.db2.gz UACOXXNABDCPFH-YIZRAAEISA-N 1 2 232.274 1.098 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000334304541 135347745 /nfs/dbraw/zinc/34/77/45/135347745.db2.gz GBMDDNJJEBEVHE-UWVGGRQHSA-N 1 2 228.267 1.196 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000334304541 135347746 /nfs/dbraw/zinc/34/77/46/135347746.db2.gz GBMDDNJJEBEVHE-UWVGGRQHSA-N 1 2 228.267 1.196 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334338130 135357046 /nfs/dbraw/zinc/35/70/46/135357046.db2.gz XLWQVIDHVRRIFU-JTQLQIEISA-N 1 2 230.271 1.715 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334338578 135357312 /nfs/dbraw/zinc/35/73/12/135357312.db2.gz YTBCILACZKOIQZ-VIFPVBQESA-N 1 2 231.259 1.110 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCN(C)C[C@@H]1C ZINC000334334400 135361844 /nfs/dbraw/zinc/36/18/44/135361844.db2.gz XLMGQWHXGFAMDU-JTQLQIEISA-N 1 2 237.347 1.681 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCN(C)C[C@@H]1C ZINC000334334400 135361846 /nfs/dbraw/zinc/36/18/46/135361846.db2.gz XLMGQWHXGFAMDU-JTQLQIEISA-N 1 2 237.347 1.681 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000334340527 135363686 /nfs/dbraw/zinc/36/36/86/135363686.db2.gz NADGXEYZLWQRJB-VHSXEESVSA-N 1 2 234.347 1.923 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc(C2CCC2)n1C ZINC000334340527 135363687 /nfs/dbraw/zinc/36/36/87/135363687.db2.gz NADGXEYZLWQRJB-VHSXEESVSA-N 1 2 234.347 1.923 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000334353941 135370540 /nfs/dbraw/zinc/37/05/40/135370540.db2.gz JCDKBIDYIFIVFO-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccncc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000334353941 135370542 /nfs/dbraw/zinc/37/05/42/135370542.db2.gz JCDKBIDYIFIVFO-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@@H+]2CCOCC23CC3)n1 ZINC000334369060 135373083 /nfs/dbraw/zinc/37/30/83/135373083.db2.gz UATVVQIYAYTDGT-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cccc(C[N@H+]2CCOCC23CC3)n1 ZINC000334369060 135373085 /nfs/dbraw/zinc/37/30/85/135373085.db2.gz UATVVQIYAYTDGT-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000334366272 135373711 /nfs/dbraw/zinc/37/37/11/135373711.db2.gz JAIHUNGURDNKOS-QWRGUYRKSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000334379179 135377601 /nfs/dbraw/zinc/37/76/01/135377601.db2.gz HOQUQUCXPARNSO-SFYZADRCSA-N 1 2 206.245 1.194 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000334379178 135378210 /nfs/dbraw/zinc/37/82/10/135378210.db2.gz HOQUQUCXPARNSO-JGVFFNPUSA-N 1 2 206.245 1.194 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000299903574 135381167 /nfs/dbraw/zinc/38/11/67/135381167.db2.gz JPRHIINFQOEQGA-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000299903574 135381169 /nfs/dbraw/zinc/38/11/69/135381169.db2.gz JPRHIINFQOEQGA-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)n1 ZINC000334389676 135382865 /nfs/dbraw/zinc/38/28/65/135382865.db2.gz SIJOZUNNKZACAB-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)n1 ZINC000334389676 135382867 /nfs/dbraw/zinc/38/28/67/135382867.db2.gz SIJOZUNNKZACAB-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334394745 135386853 /nfs/dbraw/zinc/38/68/53/135386853.db2.gz JTSILTDPGZZAIS-NWDGAFQWSA-N 1 2 249.358 1.948 20 0 BDADLO CCc1ncc(C[NH+]2CCSCC2)cn1 ZINC000334857520 135825340 /nfs/dbraw/zinc/82/53/40/135825340.db2.gz VMYHLDKUPCSHCP-UHFFFAOYSA-N 1 2 223.345 1.588 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C(C)(F)F ZINC000334979168 135856708 /nfs/dbraw/zinc/85/67/08/135856708.db2.gz FCFNIBIJPJBFOG-QMMMGPOBSA-N 1 2 243.257 1.977 20 0 BDADLO C[C@@]1(C(=O)NCc2cn3ccccc3[nH+]2)C[C@@H]1F ZINC000335063730 135887092 /nfs/dbraw/zinc/88/70/92/135887092.db2.gz VTCFHLSULKTMSP-GXFFZTMASA-N 1 2 247.273 1.699 20 0 BDADLO NC(=O)C1([NH2+]Cc2ccn(C3CCCC3)n2)CC1 ZINC000347809517 136013276 /nfs/dbraw/zinc/01/32/76/136013276.db2.gz UOEKFPDHOGGBSR-UHFFFAOYSA-N 1 2 248.330 1.106 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)nc(C)n1 ZINC000347865276 136016670 /nfs/dbraw/zinc/01/66/70/136016670.db2.gz ZPSJFLFTNJEERW-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1nc(C)n(Cc2c[nH+]ccc2C)n1 ZINC000335304762 136021967 /nfs/dbraw/zinc/02/19/67/136021967.db2.gz YVQASBCOCSILQA-UHFFFAOYSA-N 1 2 202.261 1.647 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000347998533 136023729 /nfs/dbraw/zinc/02/37/29/136023729.db2.gz IHGLYOPGKXUFPK-SDDRHHMPSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nccc(N)n2)c(C)o1 ZINC000348097216 136035527 /nfs/dbraw/zinc/03/55/27/136035527.db2.gz UIPBYTCWSLVUIB-VIFPVBQESA-N 1 2 246.314 1.950 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cnccc2C)n1 ZINC000348106144 136037081 /nfs/dbraw/zinc/03/70/81/136037081.db2.gz FKVVWKDBDBPURV-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO C[C@]1(F)CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348129275 136038310 /nfs/dbraw/zinc/03/83/10/136038310.db2.gz RUCTYBQMRYNGHC-JTQLQIEISA-N 1 2 249.351 1.245 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348129275 136038311 /nfs/dbraw/zinc/03/83/11/136038311.db2.gz RUCTYBQMRYNGHC-JTQLQIEISA-N 1 2 249.351 1.245 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC3(CCC3)C2)o1 ZINC000335322725 136050441 /nfs/dbraw/zinc/05/04/41/136050441.db2.gz ZZVFUOVWURITGT-UHFFFAOYSA-N 1 2 236.315 1.986 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC3(CCC3)C2)o1 ZINC000335322725 136050442 /nfs/dbraw/zinc/05/04/42/136050442.db2.gz ZZVFUOVWURITGT-UHFFFAOYSA-N 1 2 236.315 1.986 20 0 BDADLO C[C@]1(F)CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000335326584 136051756 /nfs/dbraw/zinc/05/17/56/136051756.db2.gz COGMNKRMXWGUNZ-ZDUSSCGKSA-N 1 2 242.338 1.823 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000335326584 136051757 /nfs/dbraw/zinc/05/17/57/136051757.db2.gz COGMNKRMXWGUNZ-ZDUSSCGKSA-N 1 2 242.338 1.823 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC1 ZINC000335325727 136051928 /nfs/dbraw/zinc/05/19/28/136051928.db2.gz IZFIHQHEZQIMPO-JTQLQIEISA-N 1 2 219.288 1.068 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)Cc1ccnn1C ZINC000348378197 136073743 /nfs/dbraw/zinc/07/37/43/136073743.db2.gz SFWPUFXYMDJRAZ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1ccnn1C ZINC000348378197 136073744 /nfs/dbraw/zinc/07/37/44/136073744.db2.gz SFWPUFXYMDJRAZ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccnn2C)cnn1C ZINC000348410914 136077501 /nfs/dbraw/zinc/07/75/01/136077501.db2.gz SKUJOICZLAVIQT-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccnn2C)cnn1C ZINC000348410914 136077502 /nfs/dbraw/zinc/07/75/02/136077502.db2.gz SKUJOICZLAVIQT-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2CO[C@H](C)C2)c(C)[nH+]1 ZINC000335391548 136091081 /nfs/dbraw/zinc/09/10/81/136091081.db2.gz YORPYBQUQFUWKZ-MWLCHTKSSA-N 1 2 249.314 1.997 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](F)C2)[nH+]1 ZINC000335397900 136092957 /nfs/dbraw/zinc/09/29/57/136092957.db2.gz GJWNANKXCXCABJ-QMMMGPOBSA-N 1 2 220.251 1.815 20 0 BDADLO Cc1cccc2c1cc[nH+]c2N1CCNC(=O)C1 ZINC000335588514 136102712 /nfs/dbraw/zinc/10/27/12/136102712.db2.gz GGQFVLJVAKJUKC-UHFFFAOYSA-N 1 2 241.294 1.479 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CC12CC2 ZINC000335570703 136109549 /nfs/dbraw/zinc/10/95/49/136109549.db2.gz VZCVQRLTHNFYLM-SECBINFHSA-N 1 2 231.299 1.886 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2c(C)cnn2C)[nH+]1 ZINC000636158515 397748759 /nfs/dbraw/zinc/74/87/59/397748759.db2.gz QWDBZCHOWIUDOV-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccco1 ZINC000155172856 397749848 /nfs/dbraw/zinc/74/98/48/397749848.db2.gz FGLVHSLSYFEJMA-UHFFFAOYSA-N 1 2 233.271 1.638 20 0 BDADLO C[C@H](C(=O)NC1CC1)[NH+]1Cc2ccccc2C1 ZINC000155478277 397751830 /nfs/dbraw/zinc/75/18/30/397751830.db2.gz DXSKKNAFROZHLC-SNVBAGLBSA-N 1 2 230.311 1.669 20 0 BDADLO O=C(C[NH+]1CCSCC1)Nc1ccncc1 ZINC000103467350 397780737 /nfs/dbraw/zinc/78/07/37/397780737.db2.gz OHPBLFMLGZCQOY-UHFFFAOYSA-N 1 2 237.328 1.069 20 0 BDADLO CC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@@H](O)CC ZINC000493267580 397927939 /nfs/dbraw/zinc/92/79/39/397927939.db2.gz YYQLZMOTIDPLMW-ROSGPLSXSA-N 1 2 237.303 1.089 20 0 BDADLO CCOCC[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649573094 397965399 /nfs/dbraw/zinc/96/53/99/397965399.db2.gz SVIADXMUXSAXGC-UHFFFAOYSA-N 1 2 223.320 1.298 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649573094 397965402 /nfs/dbraw/zinc/96/54/02/397965402.db2.gz SVIADXMUXSAXGC-UHFFFAOYSA-N 1 2 223.320 1.298 20 0 BDADLO CC(F)(F)C(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000448694433 397936334 /nfs/dbraw/zinc/93/63/34/397936334.db2.gz MPJFUMOAUDGSEO-UHFFFAOYSA-N 1 2 245.273 1.681 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC1CCC1)C1CC1 ZINC000360507274 397965890 /nfs/dbraw/zinc/96/58/90/397965890.db2.gz JJEMITGLGMSOAI-GFCCVEGCSA-N 1 2 241.331 1.344 20 0 BDADLO CCN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000334680550 397939910 /nfs/dbraw/zinc/93/99/10/397939910.db2.gz DSHRYIOCNROJGC-UHFFFAOYSA-N 1 2 221.304 1.860 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCC3)o1 ZINC000268769670 397954463 /nfs/dbraw/zinc/95/44/63/397954463.db2.gz PHTLWKRHOZEDKV-SNVBAGLBSA-N 1 2 246.314 1.977 20 0 BDADLO COC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000270685377 397962673 /nfs/dbraw/zinc/96/26/73/397962673.db2.gz SYVNZAZFLZOGEM-QMMMGPOBSA-N 1 2 237.259 1.073 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364786217 397912264 /nfs/dbraw/zinc/91/22/64/397912264.db2.gz AMWOHZSEHXGRPF-JQWIXIFHSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364786217 397912266 /nfs/dbraw/zinc/91/22/66/397912266.db2.gz AMWOHZSEHXGRPF-JQWIXIFHSA-N 1 2 241.331 1.439 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000360307874 397963603 /nfs/dbraw/zinc/96/36/03/397963603.db2.gz CBSJHKCXONSDRQ-ZJUUUORDSA-N 1 2 221.304 1.771 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000360310981 397964596 /nfs/dbraw/zinc/96/45/96/397964596.db2.gz NGFYWBJNSOBEDG-IUCAKERBSA-N 1 2 239.319 1.253 20 0 BDADLO CC(C)SCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599949394 398044771 /nfs/dbraw/zinc/04/47/71/398044771.db2.gz QGXJBJQUACGWHN-UHFFFAOYSA-N 1 2 239.344 1.436 20 0 BDADLO CC(C)SCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599949394 398044772 /nfs/dbraw/zinc/04/47/72/398044772.db2.gz QGXJBJQUACGWHN-UHFFFAOYSA-N 1 2 239.344 1.436 20 0 BDADLO CCc1cc[nH+]cc1NCc1cn[nH]c1 ZINC000650243295 398005125 /nfs/dbraw/zinc/00/51/25/398005125.db2.gz SRHZAZCUZDDLIJ-UHFFFAOYSA-N 1 2 202.261 1.979 20 0 BDADLO Cn1nccc1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353179954 398005924 /nfs/dbraw/zinc/00/59/24/398005924.db2.gz JNXZIPOVSGVXAJ-JTQLQIEISA-N 1 2 229.274 1.692 20 0 BDADLO Cn1nccc1CC[N@H+]1CCC[C@H]1C(F)F ZINC000353179954 398005927 /nfs/dbraw/zinc/00/59/27/398005927.db2.gz JNXZIPOVSGVXAJ-JTQLQIEISA-N 1 2 229.274 1.692 20 0 BDADLO COCc1cc[nH+]c(NCc2nccn2C)c1 ZINC000650243541 398006721 /nfs/dbraw/zinc/00/67/21/398006721.db2.gz CZWFDYQBVQPKHC-UHFFFAOYSA-N 1 2 232.287 1.574 20 0 BDADLO C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000649646613 398020254 /nfs/dbraw/zinc/02/02/54/398020254.db2.gz KATKAQPQCQYZBR-QWRGUYRKSA-N 1 2 235.331 1.997 20 0 BDADLO Cn1ccc(/C=C/C(=O)NC2=[NH+]CCS2)c1 ZINC000276742016 398023913 /nfs/dbraw/zinc/02/39/13/398023913.db2.gz DZQMNAXPQUEEOT-NSCUHMNNSA-N 1 2 235.312 1.257 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000047461751 398028676 /nfs/dbraw/zinc/02/86/76/398028676.db2.gz WMWWPHNQBZQCPY-ZDUSSCGKSA-N 1 2 248.326 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000047461751 398028677 /nfs/dbraw/zinc/02/86/77/398028677.db2.gz WMWWPHNQBZQCPY-ZDUSSCGKSA-N 1 2 248.326 1.396 20 0 BDADLO C/C=C/C=C\C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000490855009 398028674 /nfs/dbraw/zinc/02/86/74/398028674.db2.gz GVUKMWSPSSKXRB-DEQVHDEQSA-N 1 2 245.326 1.896 20 0 BDADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(N)=O ZINC000554890789 397975869 /nfs/dbraw/zinc/97/58/69/397975869.db2.gz XGYAPLJBQAMWNI-QMMMGPOBSA-N 1 2 222.263 1.230 20 0 BDADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(N)=O ZINC000554890789 397975873 /nfs/dbraw/zinc/97/58/73/397975873.db2.gz XGYAPLJBQAMWNI-QMMMGPOBSA-N 1 2 222.263 1.230 20 0 BDADLO CC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)COC1 ZINC000272896729 397988505 /nfs/dbraw/zinc/98/85/05/397988505.db2.gz ZPOVZMROTBWQGW-UHFFFAOYSA-N 1 2 249.314 1.152 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnns2)[C@@H](CC)CO1 ZINC000649718841 398060085 /nfs/dbraw/zinc/06/00/85/398060085.db2.gz HTHLNEQYWRWREZ-VHSXEESVSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnns2)[C@@H](CC)CO1 ZINC000649718841 398060088 /nfs/dbraw/zinc/06/00/88/398060088.db2.gz HTHLNEQYWRWREZ-VHSXEESVSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CC)[C@H](C)CO1 ZINC000649729522 398067842 /nfs/dbraw/zinc/06/78/42/398067842.db2.gz BCZDVNIAUNDITJ-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)[C@H](C)CO1 ZINC000649729522 398067844 /nfs/dbraw/zinc/06/78/44/398067844.db2.gz BCZDVNIAUNDITJ-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640110113 398072328 /nfs/dbraw/zinc/07/23/28/398072328.db2.gz APXQAUHWGDMKOG-UHFFFAOYSA-N 1 2 248.326 1.099 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000648504912 398072963 /nfs/dbraw/zinc/07/29/63/398072963.db2.gz UCUUYFHCLGCWEI-GXSJLCMTSA-N 1 2 240.326 1.786 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000648504912 398072968 /nfs/dbraw/zinc/07/29/68/398072968.db2.gz UCUUYFHCLGCWEI-GXSJLCMTSA-N 1 2 240.326 1.786 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000648504914 398073015 /nfs/dbraw/zinc/07/30/15/398073015.db2.gz UCUUYFHCLGCWEI-MWLCHTKSSA-N 1 2 240.326 1.786 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000648504914 398073018 /nfs/dbraw/zinc/07/30/18/398073018.db2.gz UCUUYFHCLGCWEI-MWLCHTKSSA-N 1 2 240.326 1.786 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000648504915 398073418 /nfs/dbraw/zinc/07/34/18/398073418.db2.gz UCUUYFHCLGCWEI-ONGXEEELSA-N 1 2 240.326 1.786 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000648504915 398073421 /nfs/dbraw/zinc/07/34/21/398073421.db2.gz UCUUYFHCLGCWEI-ONGXEEELSA-N 1 2 240.326 1.786 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2C)[C@H](C)CO1 ZINC000649733728 398074922 /nfs/dbraw/zinc/07/49/22/398074922.db2.gz NGVKXKRCFFTXJE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2C)[C@H](C)CO1 ZINC000649733728 398074924 /nfs/dbraw/zinc/07/49/24/398074924.db2.gz NGVKXKRCFFTXJE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\C1CC1 ZINC000491905085 398076742 /nfs/dbraw/zinc/07/67/42/398076742.db2.gz DANFYNUZQIIBAW-PLNGDYQASA-N 1 2 205.261 1.334 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000649735817 398076978 /nfs/dbraw/zinc/07/69/78/398076978.db2.gz RCCTWWBEOSUONE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000649735817 398076982 /nfs/dbraw/zinc/07/69/82/398076982.db2.gz RCCTWWBEOSUONE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC000292060428 398079250 /nfs/dbraw/zinc/07/92/50/398079250.db2.gz SAPYUEHTNWWJSJ-SNVBAGLBSA-N 1 2 236.319 1.504 20 0 BDADLO c1cn(CCSc2nncs2)c[nH+]1 ZINC000121853744 398094980 /nfs/dbraw/zinc/09/49/80/398094980.db2.gz OYWMUPNHZZHDLV-UHFFFAOYSA-N 1 2 212.303 1.527 20 0 BDADLO CCc1noc(C[N@@H+](CC)[C@@H]2CCCOC2)n1 ZINC000649760317 398090245 /nfs/dbraw/zinc/09/02/45/398090245.db2.gz NHXGCLODCYESQV-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+](CC)[C@@H]2CCCOC2)n1 ZINC000649760317 398090246 /nfs/dbraw/zinc/09/02/46/398090246.db2.gz NHXGCLODCYESQV-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@@H+](CC)[C@H]2CCCOC2)n1 ZINC000649760316 398090532 /nfs/dbraw/zinc/09/05/32/398090532.db2.gz NHXGCLODCYESQV-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+](CC)[C@H]2CCCOC2)n1 ZINC000649760316 398090534 /nfs/dbraw/zinc/09/05/34/398090534.db2.gz NHXGCLODCYESQV-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644838915 398091893 /nfs/dbraw/zinc/09/18/93/398091893.db2.gz XVIDJLTZNSVGAG-NWDGAFQWSA-N 1 2 205.257 1.365 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644838915 398091896 /nfs/dbraw/zinc/09/18/96/398091896.db2.gz XVIDJLTZNSVGAG-NWDGAFQWSA-N 1 2 205.257 1.365 20 0 BDADLO O=C([C@@H]1C[C@H]1C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000565071193 398054193 /nfs/dbraw/zinc/05/41/93/398054193.db2.gz VRWSJWLGCYTQLE-QWHCGFSZSA-N 1 2 245.326 1.703 20 0 BDADLO C[C@@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000128974189 398098754 /nfs/dbraw/zinc/09/87/54/398098754.db2.gz NEQRXIFYCZETDL-ZCFIWIBFSA-N 1 2 212.199 1.695 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC1OCCO1 ZINC000292099264 398101188 /nfs/dbraw/zinc/10/11/88/398101188.db2.gz GAVFNFJBYLPRMQ-UHFFFAOYSA-N 1 2 211.261 1.393 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC1OCCO1 ZINC000292099264 398101190 /nfs/dbraw/zinc/10/11/90/398101190.db2.gz GAVFNFJBYLPRMQ-UHFFFAOYSA-N 1 2 211.261 1.393 20 0 BDADLO Cc1cc(N2CCc3nc(C)ncc3C2)nc[nH+]1 ZINC000521953684 398103206 /nfs/dbraw/zinc/10/32/06/398103206.db2.gz NJCUQVGJLSHOPV-UHFFFAOYSA-N 1 2 241.298 1.446 20 0 BDADLO NCC(F)(F)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414934315 398115438 /nfs/dbraw/zinc/11/54/38/398115438.db2.gz UJZMRNSOSNEDAD-RYUDHWBXSA-N 1 2 240.297 1.974 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000294155598 398123724 /nfs/dbraw/zinc/12/37/24/398123724.db2.gz AMCKLHGHQPURKX-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000294155598 398123726 /nfs/dbraw/zinc/12/37/26/398123726.db2.gz AMCKLHGHQPURKX-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO CC1(C)COCC[N@@H+]1CC(=O)NCC1CCC1 ZINC000066495673 398123909 /nfs/dbraw/zinc/12/39/09/398123909.db2.gz KFQUNOBYFVBLPW-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)COCC[N@H+]1CC(=O)NCC1CCC1 ZINC000066495673 398123911 /nfs/dbraw/zinc/12/39/11/398123911.db2.gz KFQUNOBYFVBLPW-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637196658 398125749 /nfs/dbraw/zinc/12/57/49/398125749.db2.gz WNZFZQDAKFDSFH-OUAUKWLOSA-N 1 2 248.330 1.153 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC1CCC1 ZINC000066492670 398122864 /nfs/dbraw/zinc/12/28/64/398122864.db2.gz LBIVGTMSNOEHSD-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC1CCC1 ZINC000066492670 398122866 /nfs/dbraw/zinc/12/28/66/398122866.db2.gz LBIVGTMSNOEHSD-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO CCCC[N@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066492566 398122893 /nfs/dbraw/zinc/12/28/93/398122893.db2.gz DLMXQUSZSIKROC-UHFFFAOYSA-N 1 2 248.330 1.645 20 0 BDADLO CCCC[N@@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066492566 398122895 /nfs/dbraw/zinc/12/28/95/398122895.db2.gz DLMXQUSZSIKROC-UHFFFAOYSA-N 1 2 248.330 1.645 20 0 BDADLO CC(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077845873 167083125 /nfs/dbraw/zinc/08/31/25/167083125.db2.gz QJKIFXVPZCQVNR-QMMMGPOBSA-N 1 2 207.277 1.039 20 0 BDADLO CC(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077845873 167083129 /nfs/dbraw/zinc/08/31/29/167083129.db2.gz QJKIFXVPZCQVNR-QMMMGPOBSA-N 1 2 207.277 1.039 20 0 BDADLO COCC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000070081613 487529287 /nfs/dbraw/zinc/52/92/87/487529287.db2.gz OYIASZCPPUZJHH-UHFFFAOYSA-N 1 2 236.315 1.437 20 0 BDADLO Cc1nc(C)c(C[NH2+]C2(CN(C)C)CCC2)o1 ZINC000685580965 487557850 /nfs/dbraw/zinc/55/78/50/487557850.db2.gz DFLGJRCAHPLWJO-UHFFFAOYSA-N 1 2 237.347 1.865 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCC=C(F)C1 ZINC000271595160 167152224 /nfs/dbraw/zinc/15/22/24/167152224.db2.gz HHSSMKZYTBXTJJ-UHFFFAOYSA-N 1 2 215.268 1.887 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCC=C(F)C1 ZINC000271595160 167152227 /nfs/dbraw/zinc/15/22/27/167152227.db2.gz HHSSMKZYTBXTJJ-UHFFFAOYSA-N 1 2 215.268 1.887 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000685583973 487559436 /nfs/dbraw/zinc/55/94/36/487559436.db2.gz FXDBCDGSYSPSJA-LLVKDONJSA-N 1 2 228.267 1.198 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000685583973 487559441 /nfs/dbraw/zinc/55/94/41/487559441.db2.gz FXDBCDGSYSPSJA-LLVKDONJSA-N 1 2 228.267 1.198 20 0 BDADLO CC(C)OC(=O)[C@@H](C)N(C)Cc1c[nH+]cn1C ZINC000129959897 167167382 /nfs/dbraw/zinc/16/73/82/167167382.db2.gz XAGDJSKXBZJNRO-SNVBAGLBSA-N 1 2 239.319 1.192 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCc1cn[nH]c1 ZINC000297941004 167170091 /nfs/dbraw/zinc/17/00/91/167170091.db2.gz VDQRYUAHOMUELX-JTQLQIEISA-N 1 2 239.319 1.224 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCc1cn[nH]c1 ZINC000297941004 167170094 /nfs/dbraw/zinc/17/00/94/167170094.db2.gz VDQRYUAHOMUELX-JTQLQIEISA-N 1 2 239.319 1.224 20 0 BDADLO COCC[C@H](COC)[NH2+][C@H](C)c1cn[nH]c1C ZINC000685664088 487571801 /nfs/dbraw/zinc/57/18/01/487571801.db2.gz JVYIYBRQBJIAAN-MWLCHTKSSA-N 1 2 241.335 1.420 20 0 BDADLO C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000674422239 487573908 /nfs/dbraw/zinc/57/39/08/487573908.db2.gz WTEZPGDXAZCZJK-LLVKDONJSA-N 1 2 221.304 1.674 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nnc(CC)[nH]2)C1 ZINC000680363769 487575289 /nfs/dbraw/zinc/57/52/89/487575289.db2.gz BCYBTJIHNYMBEP-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nnc(CC)[nH]2)C1 ZINC000680363769 487575292 /nfs/dbraw/zinc/57/52/92/487575292.db2.gz BCYBTJIHNYMBEP-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000530958538 322906994 /nfs/dbraw/zinc/90/69/94/322906994.db2.gz VKWZFZXXQBHTGE-QWHCGFSZSA-N 1 2 247.342 1.826 20 0 BDADLO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336735635 167257559 /nfs/dbraw/zinc/25/75/59/167257559.db2.gz IFSGKUMSZLKVCA-ZJUUUORDSA-N 1 2 226.324 1.279 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000556692615 322919178 /nfs/dbraw/zinc/91/91/78/322919178.db2.gz XYGGHCVPKJCSHN-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](C2CC2)C1 ZINC000556701005 322919647 /nfs/dbraw/zinc/91/96/47/322919647.db2.gz PJEZJMDACLCFCQ-NSHDSACASA-N 1 2 219.288 1.142 20 0 BDADLO C[C@@H](CC(=O)Nc1ccccn1)n1cc[nH+]c1 ZINC000556704125 322919923 /nfs/dbraw/zinc/91/99/23/322919923.db2.gz ASMAYWIVKOFWLJ-JTQLQIEISA-N 1 2 230.271 1.868 20 0 BDADLO CC1(NC(=O)CCc2c[nH+]c[nH]2)CC=CC1 ZINC000655227275 409641655 /nfs/dbraw/zinc/64/16/55/409641655.db2.gz IIDWBYJDJCBXGD-UHFFFAOYSA-N 1 2 219.288 1.567 20 0 BDADLO CC1(NC(=O)CCc2c[nH]c[nH+]2)CC=CC1 ZINC000655227275 409641665 /nfs/dbraw/zinc/64/16/65/409641665.db2.gz IIDWBYJDJCBXGD-UHFFFAOYSA-N 1 2 219.288 1.567 20 0 BDADLO CCC(CC)NC(=O)NCCn1cc[nH+]c1 ZINC000042956024 409594239 /nfs/dbraw/zinc/59/42/39/409594239.db2.gz IFSGXVNDLYCZQK-UHFFFAOYSA-N 1 2 224.308 1.371 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)s1)C(C)(C)CO ZINC000660747173 409701507 /nfs/dbraw/zinc/70/15/07/409701507.db2.gz QDPKXKMMKRRSMX-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)s1)C(C)(C)CO ZINC000660747173 409701519 /nfs/dbraw/zinc/70/15/19/409701519.db2.gz QDPKXKMMKRRSMX-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752260 487611364 /nfs/dbraw/zinc/61/13/64/487611364.db2.gz AETUOIMMRLLRTM-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752260 487611367 /nfs/dbraw/zinc/61/13/67/487611367.db2.gz AETUOIMMRLLRTM-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848315 409859288 /nfs/dbraw/zinc/85/92/88/409859288.db2.gz GKKJAIVEIRFRND-QMMMGPOBSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848315 409859291 /nfs/dbraw/zinc/85/92/91/409859291.db2.gz GKKJAIVEIRFRND-QMMMGPOBSA-N 1 2 234.259 1.363 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927699 409977740 /nfs/dbraw/zinc/97/77/40/409977740.db2.gz FLKAKXGVLULCST-RYUDHWBXSA-N 1 2 249.362 1.848 20 0 BDADLO CCCCn1nnnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927699 409977746 /nfs/dbraw/zinc/97/77/46/409977746.db2.gz FLKAKXGVLULCST-RYUDHWBXSA-N 1 2 249.362 1.848 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651971642 409942376 /nfs/dbraw/zinc/94/23/76/409942376.db2.gz OULDPHGQBDKXOC-ZYHUDNBSSA-N 1 2 247.342 1.677 20 0 BDADLO CC(C)n1cc(CN(C)Cc2c[nH+]c[nH]2)nn1 ZINC000661090228 410160160 /nfs/dbraw/zinc/16/01/60/410160160.db2.gz OBBNYUQOMKRXDQ-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO CC(C)n1cc(CN(C)Cc2c[nH]c[nH+]2)nn1 ZINC000661090228 410160165 /nfs/dbraw/zinc/16/01/65/410160165.db2.gz OBBNYUQOMKRXDQ-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@H](C)C(=O)OC)c1 ZINC000616785409 410173759 /nfs/dbraw/zinc/17/37/59/410173759.db2.gz RDFIMFDAEQSOPX-SNVBAGLBSA-N 1 2 224.304 1.501 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)c1 ZINC000616785409 410173764 /nfs/dbraw/zinc/17/37/64/410173764.db2.gz RDFIMFDAEQSOPX-SNVBAGLBSA-N 1 2 224.304 1.501 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CCOC1 ZINC000112966930 410247174 /nfs/dbraw/zinc/24/71/74/410247174.db2.gz FNJFQWIUJHIVJO-SNVBAGLBSA-N 1 2 219.288 1.579 20 0 BDADLO C[C@@H](O)CN(C)c1[nH+]ccc2c(N)cccc21 ZINC000663429616 410222641 /nfs/dbraw/zinc/22/26/41/410222641.db2.gz FFIPHQNSQKZSFH-SECBINFHSA-N 1 2 231.299 1.634 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661176276 410322011 /nfs/dbraw/zinc/32/20/11/410322011.db2.gz CVPNTKAIPJWYQO-WCBMZHEXSA-N 1 2 222.292 1.350 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661176276 410322017 /nfs/dbraw/zinc/32/20/17/410322017.db2.gz CVPNTKAIPJWYQO-WCBMZHEXSA-N 1 2 222.292 1.350 20 0 BDADLO CCOC(=O)CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000260612244 487615312 /nfs/dbraw/zinc/61/53/12/487615312.db2.gz YYZNHBNDTIMJGM-UHFFFAOYSA-N 1 2 249.314 1.743 20 0 BDADLO COCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071540758 410417668 /nfs/dbraw/zinc/41/76/68/410417668.db2.gz XRSYZQIGVNARJP-UHFFFAOYSA-N 1 2 233.271 1.019 20 0 BDADLO Nc1[nH+]cccc1CNc1ccnc(C2CC2)n1 ZINC000663962016 410404666 /nfs/dbraw/zinc/40/46/66/410404666.db2.gz JCLCTPLNHUNISF-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)CCn1cc[nH+]c1 ZINC000270564294 166519564 /nfs/dbraw/zinc/51/95/64/166519564.db2.gz VVXISSMEYGRLJV-UHFFFAOYSA-N 1 2 237.303 1.005 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCC1 ZINC000650983363 410670968 /nfs/dbraw/zinc/67/09/68/410670968.db2.gz AJKOREYOSZOJDJ-UHFFFAOYSA-N 1 2 233.315 1.384 20 0 BDADLO C/C=C/CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000624656658 410673531 /nfs/dbraw/zinc/67/35/31/410673531.db2.gz XFWCJZZHEWVIGN-NWALNABHSA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C/CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000624656658 410673535 /nfs/dbraw/zinc/67/35/35/410673535.db2.gz XFWCJZZHEWVIGN-NWALNABHSA-N 1 2 222.292 1.257 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@](C)(CO)C2)nc[nH+]1 ZINC000664596472 410608778 /nfs/dbraw/zinc/60/87/78/410608778.db2.gz SWTKZHDASRIGRY-SKDRFNHKSA-N 1 2 221.304 1.240 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@@](C)(CO)C2)nc[nH+]1 ZINC000664596470 410609779 /nfs/dbraw/zinc/60/97/79/410609779.db2.gz SWTKZHDASRIGRY-JOYOIKCWSA-N 1 2 221.304 1.240 20 0 BDADLO CCN(CC)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650985301 410674252 /nfs/dbraw/zinc/67/42/52/410674252.db2.gz MXUBAWKLKKIWBC-UHFFFAOYSA-N 1 2 235.331 1.630 20 0 BDADLO O[C@H]1CC[N@H+](CCC2CC2)CC1(F)F ZINC000661397939 410612865 /nfs/dbraw/zinc/61/28/65/410612865.db2.gz FXPWQKPAHNYWMU-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO O[C@H]1CC[N@@H+](CCC2CC2)CC1(F)F ZINC000661397939 410612871 /nfs/dbraw/zinc/61/28/71/410612871.db2.gz FXPWQKPAHNYWMU-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO CCc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)nn1 ZINC000680581866 487618298 /nfs/dbraw/zinc/61/82/98/487618298.db2.gz WAGALSABHNFTSH-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)nn1 ZINC000680581866 487618305 /nfs/dbraw/zinc/61/83/05/487618305.db2.gz WAGALSABHNFTSH-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO Cc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)nc(C)n1 ZINC000661539049 410737448 /nfs/dbraw/zinc/73/74/48/410737448.db2.gz NIPSQHGIFIOSBR-NXEZZACHSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC1 ZINC000650989344 410679407 /nfs/dbraw/zinc/67/94/07/410679407.db2.gz DLZIHOYRCSQORU-UHFFFAOYSA-N 1 2 219.288 1.041 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651255242 410885265 /nfs/dbraw/zinc/88/52/65/410885265.db2.gz MFOBDCNNPPFVAW-GRYCIOLGSA-N 1 2 245.326 1.639 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000651203924 410861419 /nfs/dbraw/zinc/86/14/19/410861419.db2.gz QSBRKHLGKAXECQ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000651203924 410861421 /nfs/dbraw/zinc/86/14/21/410861421.db2.gz QSBRKHLGKAXECQ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000674791693 487619127 /nfs/dbraw/zinc/61/91/27/487619127.db2.gz ZHYPYAXWEYJVGU-ZDUSSCGKSA-N 1 2 245.282 1.842 20 0 BDADLO CC1(C)CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000040878813 410893752 /nfs/dbraw/zinc/89/37/52/410893752.db2.gz LAYSTLSCWUJTEA-UHFFFAOYSA-N 1 2 222.288 1.189 20 0 BDADLO CC(C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000372921770 167134083 /nfs/dbraw/zinc/13/40/83/167134083.db2.gz JWEPNDPTJDPHHN-NSHDSACASA-N 1 2 216.288 1.892 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000133783054 167167132 /nfs/dbraw/zinc/16/71/32/167167132.db2.gz CAJLGQRGNCTPPG-LLVKDONJSA-N 1 2 236.315 1.854 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000133783054 167167134 /nfs/dbraw/zinc/16/71/34/167167134.db2.gz CAJLGQRGNCTPPG-LLVKDONJSA-N 1 2 236.315 1.854 20 0 BDADLO CC(C)Oc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000090793340 167287328 /nfs/dbraw/zinc/28/73/28/167287328.db2.gz FBPPNZWOCRJHCL-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO CC(C)SCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000286864564 167328090 /nfs/dbraw/zinc/32/80/90/167328090.db2.gz YWNDVOWFPBVOSS-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CC(C)[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000114336009 167357472 /nfs/dbraw/zinc/35/74/72/167357472.db2.gz IMTXWLAYWGWUJL-VIFPVBQESA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280835383 167364773 /nfs/dbraw/zinc/36/47/73/167364773.db2.gz KCYBWYAVWMFSMU-LLVKDONJSA-N 1 2 237.347 1.856 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672157099 487619392 /nfs/dbraw/zinc/61/93/92/487619392.db2.gz ZAOGCWRFYIQYJK-SRVKXCTJSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276500164 167370441 /nfs/dbraw/zinc/37/04/41/167370441.db2.gz HSOPLQMTQPXAKZ-XNPJLODASA-N 1 2 207.277 1.584 20 0 BDADLO C[C@@H](CCO)N(C)c1[nH+]c2ccccc2n1C ZINC000651470930 411050284 /nfs/dbraw/zinc/05/02/84/411050284.db2.gz DICLTPXWNLNINB-JTQLQIEISA-N 1 2 233.315 1.780 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000651474388 411058180 /nfs/dbraw/zinc/05/81/80/411058180.db2.gz KETDZEIWOXEZMS-PRHODGIISA-N 1 2 223.320 1.530 20 0 BDADLO C[C@@H](O)C(C)(C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651625886 411131436 /nfs/dbraw/zinc/13/14/36/411131436.db2.gz WMEPWAROPFQADS-NXEZZACHSA-N 1 2 239.319 1.110 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2nccs2)c2[nH+]ccn21 ZINC000652157364 411163187 /nfs/dbraw/zinc/16/31/87/411163187.db2.gz RLAVZZOOVJYIRG-YUMQZZPRSA-N 1 2 248.311 1.775 20 0 BDADLO C[C@H](CC(=O)N1CC(F)(F)C1)n1cc[nH+]c1 ZINC000651689850 411136261 /nfs/dbraw/zinc/13/62/61/411136261.db2.gz FYEJLQDNPXHLEF-MRVPVSSYSA-N 1 2 229.230 1.312 20 0 BDADLO C[C@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCCOC1 ZINC000493535996 411139032 /nfs/dbraw/zinc/13/90/32/411139032.db2.gz YXVDJRHXPZXPQN-PCAWENJQSA-N 1 2 235.287 1.108 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc3cnccc3o2)nn1 ZINC000651759455 411141875 /nfs/dbraw/zinc/14/18/75/411141875.db2.gz QHSPGLAIUFETLL-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CC(C)(C)O1 ZINC000045705866 411148431 /nfs/dbraw/zinc/14/84/31/411148431.db2.gz SOXVJFGSSYSPPZ-JTQLQIEISA-N 1 2 236.315 1.578 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2CC)[C@@H](C)CO1 ZINC000651931475 411150897 /nfs/dbraw/zinc/15/08/97/411150897.db2.gz UDQREEZNRGGSLP-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CC)[C@@H](C)CO1 ZINC000651931475 411150898 /nfs/dbraw/zinc/15/08/98/411150898.db2.gz UDQREEZNRGGSLP-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO c1coc([C@H]2C[N@H+](CCc3c[nH]nn3)CCO2)c1 ZINC000659992699 411160233 /nfs/dbraw/zinc/16/02/33/411160233.db2.gz FWOLPGJKTBPZPI-GFCCVEGCSA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@H]2C[N@@H+](CCc3c[nH]nn3)CCO2)c1 ZINC000659992699 411160236 /nfs/dbraw/zinc/16/02/36/411160236.db2.gz FWOLPGJKTBPZPI-GFCCVEGCSA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@H]2C[N@H+](CCc3cn[nH]n3)CCO2)c1 ZINC000659992699 411160240 /nfs/dbraw/zinc/16/02/40/411160240.db2.gz FWOLPGJKTBPZPI-GFCCVEGCSA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@H]2C[N@@H+](CCc3cn[nH]n3)CCO2)c1 ZINC000659992699 411160243 /nfs/dbraw/zinc/16/02/43/411160243.db2.gz FWOLPGJKTBPZPI-GFCCVEGCSA-N 1 2 248.286 1.014 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)[C@@H]1CCCOC1 ZINC000651948563 411160339 /nfs/dbraw/zinc/16/03/39/411160339.db2.gz PFUVINDPLIGSRG-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)[C@@H]1CCCOC1 ZINC000651948563 411160342 /nfs/dbraw/zinc/16/03/42/411160342.db2.gz PFUVINDPLIGSRG-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO COc1ccccc1C[N@H+](C)CC(C)=O ZINC000048014080 411174229 /nfs/dbraw/zinc/17/42/29/411174229.db2.gz PZRCLLPYTMFEOT-UHFFFAOYSA-N 1 2 207.273 1.716 20 0 BDADLO COc1ccccc1C[N@@H+](C)CC(C)=O ZINC000048014080 411174232 /nfs/dbraw/zinc/17/42/32/411174232.db2.gz PZRCLLPYTMFEOT-UHFFFAOYSA-N 1 2 207.273 1.716 20 0 BDADLO CC(C)N(Cc1cn(C)c[nH+]1)CC(F)F ZINC000660013339 411175212 /nfs/dbraw/zinc/17/52/12/411175212.db2.gz PCOXUSBZBYDTTD-UHFFFAOYSA-N 1 2 217.263 1.896 20 0 BDADLO COc1c(C)[nH+]cnc1NCCc1nc(C)no1 ZINC000656113108 411181956 /nfs/dbraw/zinc/18/19/56/411181956.db2.gz DBDLSYRSQGABDC-UHFFFAOYSA-N 1 2 249.274 1.140 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](OC)C(C)C ZINC000656131967 411184841 /nfs/dbraw/zinc/18/48/41/411184841.db2.gz DGRWXHYSQOLOQY-JTQLQIEISA-N 1 2 239.319 1.877 20 0 BDADLO CC/C=C\CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000656136842 411185273 /nfs/dbraw/zinc/18/52/73/411185273.db2.gz DITOYAKXTPVYOA-PLNGDYQASA-N 1 2 248.330 1.683 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C=C[C@H](CO)C1 ZINC000656137642 411185364 /nfs/dbraw/zinc/18/53/64/411185364.db2.gz VBCALDUDDJCUKK-VHSXEESVSA-N 1 2 235.287 1.143 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)CCCO ZINC000656144404 411186095 /nfs/dbraw/zinc/18/60/95/411186095.db2.gz BBKAKSCZGLMKDU-MRVPVSSYSA-N 1 2 225.292 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cn(C)nc1C ZINC000656156393 411187353 /nfs/dbraw/zinc/18/73/53/411187353.db2.gz FHNUSVCVTLFDKG-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BDADLO C[C@H]1CC[C@H]([NH2+]CC(F)(F)CO)CS1 ZINC000655757693 411188828 /nfs/dbraw/zinc/18/88/28/411188828.db2.gz XMEMAYBBAIZUQV-YUMQZZPRSA-N 1 2 225.304 1.488 20 0 BDADLO C[C@@H](Cn1cncn1)[NH2+]C1(C(F)F)CC1 ZINC000658002405 411194079 /nfs/dbraw/zinc/19/40/79/411194079.db2.gz BLZFRVSUDRZMGJ-ZETCQYMHSA-N 1 2 216.235 1.054 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@H](F)C1 ZINC000656184815 411195229 /nfs/dbraw/zinc/19/52/29/411195229.db2.gz PZUUMAZRYADGBF-SECBINFHSA-N 1 2 225.267 1.732 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC2(CC2)C1 ZINC000656184812 411195249 /nfs/dbraw/zinc/19/52/49/411195249.db2.gz PRGBBRYVQRRBPD-UHFFFAOYSA-N 1 2 219.288 1.784 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H]2C[C@@H]21 ZINC000656187913 411196699 /nfs/dbraw/zinc/19/66/99/411196699.db2.gz MPQWPNJMXAXWFV-SFYZADRCSA-N 1 2 220.276 1.056 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H]2C[C@@H]21 ZINC000656187913 411196702 /nfs/dbraw/zinc/19/67/02/411196702.db2.gz MPQWPNJMXAXWFV-SFYZADRCSA-N 1 2 220.276 1.056 20 0 BDADLO COc1ccc2c(c1)CN(Cc1c[nH+]cn1C)C2 ZINC000653834283 411196802 /nfs/dbraw/zinc/19/68/02/411196802.db2.gz RFXNSBHHPWKWGM-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1=CCOCC1 ZINC000656193789 411199522 /nfs/dbraw/zinc/19/95/22/411199522.db2.gz RYOYXSPGPSDZNC-UHFFFAOYSA-N 1 2 235.287 1.552 20 0 BDADLO CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000048487546 411201516 /nfs/dbraw/zinc/20/15/16/411201516.db2.gz UTWURYWQPATCMT-LLVKDONJSA-N 1 2 244.298 1.439 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@@H+]2C[C@H](C)O)no1 ZINC000656415578 411245228 /nfs/dbraw/zinc/24/52/28/411245228.db2.gz NGRIYFFULWBSLR-UWVGGRQHSA-N 1 2 239.319 1.540 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@H+]2C[C@H](C)O)no1 ZINC000656415578 411245232 /nfs/dbraw/zinc/24/52/32/411245232.db2.gz NGRIYFFULWBSLR-UWVGGRQHSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@@H](O)CCC(C)C)n1 ZINC000653889072 411209239 /nfs/dbraw/zinc/20/92/39/411209239.db2.gz QHSZRZVZNBDLMU-NSHDSACASA-N 1 2 241.335 1.607 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@@H](O)CCC(C)C)n1 ZINC000653889072 411209242 /nfs/dbraw/zinc/20/92/42/411209242.db2.gz QHSZRZVZNBDLMU-NSHDSACASA-N 1 2 241.335 1.607 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1nc(C)no1 ZINC000653888713 411209353 /nfs/dbraw/zinc/20/93/53/411209353.db2.gz XPGRGMLUCGFREB-LLVKDONJSA-N 1 2 241.335 1.871 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1nc(C)no1 ZINC000653888713 411209354 /nfs/dbraw/zinc/20/93/54/411209354.db2.gz XPGRGMLUCGFREB-LLVKDONJSA-N 1 2 241.335 1.871 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1csnn1 ZINC000658037489 411213101 /nfs/dbraw/zinc/21/31/01/411213101.db2.gz WVMXAGCGPOHDJT-RKDXNWHRSA-N 1 2 249.343 1.920 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)o1 ZINC000653899145 411214176 /nfs/dbraw/zinc/21/41/76/411214176.db2.gz ZCTLPWKIKJAWSV-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nnc(C[N@H+](C[C@@H](C)O)C2CC2)o1 ZINC000653899145 411214177 /nfs/dbraw/zinc/21/41/77/411214177.db2.gz ZCTLPWKIKJAWSV-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)n1cc(C[N@@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000653901941 411216236 /nfs/dbraw/zinc/21/62/36/411216236.db2.gz GYUUCYSOXOGXCD-SNVBAGLBSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1cc(C[N@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000653901941 411216239 /nfs/dbraw/zinc/21/62/39/411216239.db2.gz GYUUCYSOXOGXCD-SNVBAGLBSA-N 1 2 238.335 1.204 20 0 BDADLO C[C@@H](CC(=O)N1C[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC000652365099 411217794 /nfs/dbraw/zinc/21/77/94/411217794.db2.gz UVDMHQMVLCLLLT-VWYCJHECSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@H]1CSCCN1c1cc(CO)cc[nH+]1 ZINC000069761355 411223128 /nfs/dbraw/zinc/22/31/28/411223128.db2.gz IFXNGHUNASQNFI-VIFPVBQESA-N 1 2 224.329 1.516 20 0 BDADLO C[C@@H](CC(=O)Nc1ccc(N)[nH+]c1)[C@@H]1CCCO1 ZINC000659295136 411223998 /nfs/dbraw/zinc/22/39/98/411223998.db2.gz QVNYQRIUHVHJJB-ONGXEEELSA-N 1 2 249.314 1.808 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000611937032 411230017 /nfs/dbraw/zinc/23/00/17/411230017.db2.gz NBNIZJXKRBOPBS-DDHJBXDOSA-N 1 2 247.342 1.781 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C2CCC2)CC1 ZINC000652868055 411232502 /nfs/dbraw/zinc/23/25/02/411232502.db2.gz MWYGVWWIICQEDJ-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCn3ccnc32)n(C)n1 ZINC000655766451 411248542 /nfs/dbraw/zinc/24/85/42/411248542.db2.gz QXVHOVWNXSUHML-LBPRGKRZSA-N 1 2 245.330 1.550 20 0 BDADLO C[C@@H](CC[NH+](C)C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000049560470 411241241 /nfs/dbraw/zinc/24/12/41/411241241.db2.gz WLJGDLBOKAULQA-VIFPVBQESA-N 1 2 237.303 1.532 20 0 BDADLO C[C@H](CF)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652182585 411167458 /nfs/dbraw/zinc/16/74/58/411167458.db2.gz SYFBZQOORLNEIY-SECBINFHSA-N 1 2 239.294 1.236 20 0 BDADLO c1c(C[NH+]2CCSCC2)nnn1C1CC1 ZINC000656455777 411263929 /nfs/dbraw/zinc/26/39/29/411263929.db2.gz KMRPRMDHSBTBKV-UHFFFAOYSA-N 1 2 224.333 1.162 20 0 BDADLO c1c(C[NH+]2CCSCC2)nnn1C1CCC1 ZINC000656455659 411264371 /nfs/dbraw/zinc/26/43/71/411264371.db2.gz MEPRLXPFNBNEDL-UHFFFAOYSA-N 1 2 238.360 1.552 20 0 BDADLO C[C@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)CS1 ZINC000655712461 411266776 /nfs/dbraw/zinc/26/67/76/411266776.db2.gz OAYKJBNRXHGPHB-WPRPVWTQSA-N 1 2 211.334 1.783 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)CS1 ZINC000655712458 411266890 /nfs/dbraw/zinc/26/68/90/411266890.db2.gz OAYKJBNRXHGPHB-PSASIEDQSA-N 1 2 211.334 1.783 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)no1 ZINC000659840158 411327308 /nfs/dbraw/zinc/32/73/08/411327308.db2.gz BRTILQZIOFITAB-VHSXEESVSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)no1 ZINC000659840158 411327309 /nfs/dbraw/zinc/32/73/09/411327309.db2.gz BRTILQZIOFITAB-VHSXEESVSA-N 1 2 240.303 1.683 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)CC2CC2)[nH]1 ZINC000658158148 411271216 /nfs/dbraw/zinc/27/12/16/411271216.db2.gz GGNWVLCLMPCCTO-QMMMGPOBSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccccc2)n1 ZINC000658162898 411276078 /nfs/dbraw/zinc/27/60/78/411276078.db2.gz XHVBMBWMIVENAZ-JTQLQIEISA-N 1 2 246.314 1.802 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)c2ccccc2)[nH]1 ZINC000658162898 411276080 /nfs/dbraw/zinc/27/60/80/411276080.db2.gz XHVBMBWMIVENAZ-JTQLQIEISA-N 1 2 246.314 1.802 20 0 BDADLO CO[C@@]1(CNc2ccc(C)[nH+]c2)CCOC1 ZINC000653470004 411291662 /nfs/dbraw/zinc/29/16/62/411291662.db2.gz QZJXLWFMDYRKFI-GFCCVEGCSA-N 1 2 222.288 1.607 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)nc(C)n1 ZINC000659812909 411299841 /nfs/dbraw/zinc/29/98/41/411299841.db2.gz UUHUYPXOOAVLTI-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)nc(C)n1 ZINC000659812909 411299842 /nfs/dbraw/zinc/29/98/42/411299842.db2.gz UUHUYPXOOAVLTI-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@H]1CCC[C@H](O)C1)CC2 ZINC000660240415 411303409 /nfs/dbraw/zinc/30/34/09/411303409.db2.gz CXTDLCJCPPNMJC-STQMWFEESA-N 1 2 249.358 1.558 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@H]1CCC[C@H](O)C1)CC2 ZINC000660240415 411303410 /nfs/dbraw/zinc/30/34/10/411303410.db2.gz CXTDLCJCPPNMJC-STQMWFEESA-N 1 2 249.358 1.558 20 0 BDADLO CC[C@H](SC)C(=O)NC1C[NH+](C(C)C)C1 ZINC000357704680 411308300 /nfs/dbraw/zinc/30/83/00/411308300.db2.gz FDBHGZBXTQRSNM-JTQLQIEISA-N 1 2 230.377 1.337 20 0 BDADLO CCN(CC1CC1)C(=O)NCc1c[nH+]cn1C ZINC000360109367 169808626 /nfs/dbraw/zinc/80/86/26/169808626.db2.gz FYIBUYAQRIJIAZ-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658252054 411314307 /nfs/dbraw/zinc/31/43/07/411314307.db2.gz IDZMHQUKLYUQGI-XXILOJSOSA-N 1 2 235.331 1.672 20 0 BDADLO CC1(NC(=O)NCCCn2cc[nH+]c2)CC=CC1 ZINC000653476023 411319205 /nfs/dbraw/zinc/31/92/05/411319205.db2.gz SZVHCDTXIGRSQC-UHFFFAOYSA-N 1 2 248.330 1.681 20 0 BDADLO c1cn2c([nH+]1)[C@H](NCc1cscn1)CCC2 ZINC000655703794 411254636 /nfs/dbraw/zinc/25/46/36/411254636.db2.gz LKEJBYKGZHRIAO-SNVBAGLBSA-N 1 2 234.328 1.964 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1ncc[nH]1 ZINC000660144056 411258154 /nfs/dbraw/zinc/25/81/54/411258154.db2.gz NNBCXIXSIKXWJO-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1ncc[nH]1 ZINC000660144056 411258158 /nfs/dbraw/zinc/25/81/58/411258158.db2.gz NNBCXIXSIKXWJO-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO CCOc1ccc(CN(C)Cc2[nH]cc[nH+]2)nc1 ZINC000660143797 411258355 /nfs/dbraw/zinc/25/83/55/411258355.db2.gz ZBUXWBABZUGEJQ-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000328874481 167962956 /nfs/dbraw/zinc/96/29/56/167962956.db2.gz RPRJBSMTXKYMLU-DTWKUNHWSA-N 1 2 236.319 1.521 20 0 BDADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000328874481 167962957 /nfs/dbraw/zinc/96/29/57/167962957.db2.gz RPRJBSMTXKYMLU-DTWKUNHWSA-N 1 2 236.319 1.521 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000658335728 411343668 /nfs/dbraw/zinc/34/36/68/411343668.db2.gz FTPRUGVEOUKYSI-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(C)[C@H](Nc2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000275055201 168002610 /nfs/dbraw/zinc/00/26/10/168002610.db2.gz UQZZCCFIWNOENZ-ZJUUUORDSA-N 1 2 233.315 1.925 20 0 BDADLO CCc1cccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000652924449 411345404 /nfs/dbraw/zinc/34/54/04/411345404.db2.gz JFHXNMBXUXQWSG-UHFFFAOYSA-N 1 2 243.310 1.762 20 0 BDADLO CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000287915072 168018905 /nfs/dbraw/zinc/01/89/05/168018905.db2.gz CJPAFXJQEGRQQN-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccn(C)n1 ZINC000658338799 411346690 /nfs/dbraw/zinc/34/66/90/411346690.db2.gz LRSJWFRUKNCDGN-ZJUUUORDSA-N 1 2 233.319 1.565 20 0 BDADLO C[C@@H](N[C@@H](C)c1[nH+]ccn1C)c1ccn(C)n1 ZINC000658338799 411346693 /nfs/dbraw/zinc/34/66/93/411346693.db2.gz LRSJWFRUKNCDGN-ZJUUUORDSA-N 1 2 233.319 1.565 20 0 BDADLO CC1=C(C(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000336521946 168075048 /nfs/dbraw/zinc/07/50/48/168075048.db2.gz ZNZKCNPWQAZNKD-UHFFFAOYSA-N 1 2 231.299 1.726 20 0 BDADLO CC1=C(C)CN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000281813678 168081923 /nfs/dbraw/zinc/08/19/23/168081923.db2.gz NPILMRVIXYXTIQ-UHFFFAOYSA-N 1 2 247.342 1.921 20 0 BDADLO CC1CC(NC(=O)NCc2[nH+]ccn2C)C1 ZINC000267929951 168143131 /nfs/dbraw/zinc/14/31/31/168143131.db2.gz AHQROIAWUGJRIV-UHFFFAOYSA-N 1 2 222.292 1.018 20 0 BDADLO CC1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000073172288 168157757 /nfs/dbraw/zinc/15/77/57/168157757.db2.gz PQDKZDAYRPRRSG-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000657000602 411390854 /nfs/dbraw/zinc/39/08/54/411390854.db2.gz SVXNFHQJXXIBAW-SECBINFHSA-N 1 2 207.277 1.350 20 0 BDADLO CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075555515 168217970 /nfs/dbraw/zinc/21/79/70/168217970.db2.gz CWDZCIIGEAPLLQ-SECBINFHSA-N 1 2 207.277 1.526 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054485732 168221253 /nfs/dbraw/zinc/22/12/53/168221253.db2.gz PSVREYXQRXUKTB-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000082254553 168221598 /nfs/dbraw/zinc/22/15/98/168221598.db2.gz XJVYZPALEJQMCA-LBPRGKRZSA-N 1 2 247.342 1.697 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000268563332 168223275 /nfs/dbraw/zinc/22/32/75/168223275.db2.gz OWKVSIQXQCWQLN-SNVBAGLBSA-N 1 2 219.288 1.504 20 0 BDADLO CCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000372550628 168238376 /nfs/dbraw/zinc/23/83/76/168238376.db2.gz OITIAGLPWOWEMB-SECBINFHSA-N 1 2 207.277 1.033 20 0 BDADLO CCC(C)(C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374696032 168262927 /nfs/dbraw/zinc/26/29/27/168262927.db2.gz IJXRQSRGPCLPSM-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CCC(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000263838245 168267944 /nfs/dbraw/zinc/26/79/44/168267944.db2.gz UYINGTFCAIWQPA-SNVBAGLBSA-N 1 2 223.320 1.824 20 0 BDADLO CCC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282767230 168278100 /nfs/dbraw/zinc/27/81/00/168278100.db2.gz LJILXQMZIYCMOW-AATRIKPKSA-N 1 2 221.304 1.975 20 0 BDADLO CCC(C)(C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000277680410 168281540 /nfs/dbraw/zinc/28/15/40/168281540.db2.gz CSBMWSGTPWWUMW-UHFFFAOYSA-N 1 2 248.334 1.794 20 0 BDADLO COc1ncccc1C[NH2+]Cc1nc(C)c[nH]1 ZINC000657305553 411456308 /nfs/dbraw/zinc/45/63/08/411456308.db2.gz FRNVWLBTADXRAS-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@]2(CC2(F)F)C1 ZINC000653003747 411392123 /nfs/dbraw/zinc/39/21/23/411392123.db2.gz DCCNCKVTOMXXQA-JTQLQIEISA-N 1 2 241.241 1.141 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654454967 411399233 /nfs/dbraw/zinc/39/92/33/411399233.db2.gz SFUMGKGJWIZXMT-VIFPVBQESA-N 1 2 209.293 1.455 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654454967 411399236 /nfs/dbraw/zinc/39/92/36/411399236.db2.gz SFUMGKGJWIZXMT-VIFPVBQESA-N 1 2 209.293 1.455 20 0 BDADLO C[C@@H](CC(=O)Nc1ccc(N)nc1)n1cc[nH+]c1 ZINC000653048452 411403908 /nfs/dbraw/zinc/40/39/08/411403908.db2.gz BDTIQHCRYWGEFF-VIFPVBQESA-N 1 2 245.286 1.280 20 0 BDADLO c1ccc2nc(C[NH+]3CCOCC3)cnc2c1 ZINC000659814773 411461775 /nfs/dbraw/zinc/46/17/75/411461775.db2.gz VCRBTKUPNZBZKR-UHFFFAOYSA-N 1 2 229.283 1.462 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nncs1 ZINC000654541382 411410037 /nfs/dbraw/zinc/41/00/37/411410037.db2.gz JPBNLWUPOKWQFF-ZCFIWIBFSA-N 1 2 237.288 1.079 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nncs1 ZINC000654541382 411410042 /nfs/dbraw/zinc/41/00/42/411410042.db2.gz JPBNLWUPOKWQFF-ZCFIWIBFSA-N 1 2 237.288 1.079 20 0 BDADLO C[N@@H+](Cc1nnn(C(C)(C)C)n1)CC1CC1 ZINC000653498887 411413277 /nfs/dbraw/zinc/41/32/77/411413277.db2.gz QMQIOPSEFPUCGK-UHFFFAOYSA-N 1 2 223.324 1.270 20 0 BDADLO C[N@H+](Cc1nnn(C(C)(C)C)n1)CC1CC1 ZINC000653498887 411413278 /nfs/dbraw/zinc/41/32/78/411413278.db2.gz QMQIOPSEFPUCGK-UHFFFAOYSA-N 1 2 223.324 1.270 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1(C)CC=CC1 ZINC000654578726 411414153 /nfs/dbraw/zinc/41/41/53/411414153.db2.gz DNSHJOKZEOMCQT-UHFFFAOYSA-N 1 2 248.330 1.811 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1Cc1nnn(C(C)(C)C)n1 ZINC000653568807 411424586 /nfs/dbraw/zinc/42/45/86/411424586.db2.gz LKIPZIUSILCBKW-UWVGGRQHSA-N 1 2 237.351 1.801 20 0 BDADLO Cc1cc(COCc2[nH]cc[nH+]2)nc(C)n1 ZINC000657255954 411430411 /nfs/dbraw/zinc/43/04/11/411430411.db2.gz SWLNYOBTSQKNDX-UHFFFAOYSA-N 1 2 218.260 1.533 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccncc1 ZINC000274994118 411439373 /nfs/dbraw/zinc/43/93/73/411439373.db2.gz ONDXJHJVXCCOOV-DGCLKSJQSA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccncc1 ZINC000274994118 411439376 /nfs/dbraw/zinc/43/93/76/411439376.db2.gz ONDXJHJVXCCOOV-DGCLKSJQSA-N 1 2 248.326 1.855 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CC=CCC2)on1 ZINC000653610079 411439802 /nfs/dbraw/zinc/43/98/02/411439802.db2.gz VKAXFABTCTVCMW-UHFFFAOYSA-N 1 2 206.245 1.639 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CC=CCC2)on1 ZINC000653610079 411439803 /nfs/dbraw/zinc/43/98/03/411439803.db2.gz VKAXFABTCTVCMW-UHFFFAOYSA-N 1 2 206.245 1.639 20 0 BDADLO CC[C@H](C)c1nnc([C@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000277062600 411443696 /nfs/dbraw/zinc/44/36/96/411443696.db2.gz BXMJPBSQUNOUPF-IUCAKERBSA-N 1 2 248.334 1.892 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1ccco1 ZINC000607643575 411448860 /nfs/dbraw/zinc/44/88/60/411448860.db2.gz UYVXNFZVYDWNKH-VIFPVBQESA-N 1 2 233.271 1.433 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC1(C)C ZINC000654820899 411450847 /nfs/dbraw/zinc/45/08/47/411450847.db2.gz VCZQGLQXXSKZQM-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC1(C)C ZINC000654820899 411450852 /nfs/dbraw/zinc/45/08/52/411450852.db2.gz VCZQGLQXXSKZQM-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO COc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)nc1 ZINC000654838899 411453002 /nfs/dbraw/zinc/45/30/02/411453002.db2.gz MEHWNTBGKHXXMT-UHFFFAOYSA-N 1 2 249.314 1.371 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)[C@@H](C)CO1 ZINC000659822062 411464289 /nfs/dbraw/zinc/46/42/89/411464289.db2.gz LCMKIGIBMVEZTI-AEJSXWLSSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)[C@@H](C)CO1 ZINC000659822062 411464291 /nfs/dbraw/zinc/46/42/91/411464291.db2.gz LCMKIGIBMVEZTI-AEJSXWLSSA-N 1 2 235.274 1.520 20 0 BDADLO CCc1nnc([C@@H](C)[NH+]2CCC(CO)CC2)[nH]1 ZINC000659837512 411471260 /nfs/dbraw/zinc/47/12/60/411471260.db2.gz AYZHKSXXTLODBK-SECBINFHSA-N 1 2 238.335 1.132 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657334935 411471665 /nfs/dbraw/zinc/47/16/65/411471665.db2.gz IIYVWPTXTMEUKM-WCBMZHEXSA-N 1 2 238.335 1.111 20 0 BDADLO COc1ccc(C[NH2+]Cc2nc(C)c[nH]2)cc1O ZINC000657341023 411473405 /nfs/dbraw/zinc/47/34/05/411473405.db2.gz ICJONODGXGFSGK-UHFFFAOYSA-N 1 2 247.298 1.722 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cc3n(n2)CCC3)s1 ZINC000657347546 411474704 /nfs/dbraw/zinc/47/47/04/411474704.db2.gz BJNFUCHFDVOAIT-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC2(C)C)nc(C)n1 ZINC000659858348 411479798 /nfs/dbraw/zinc/47/97/98/411479798.db2.gz RPDUXQXFLYSAPJ-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC2(C)C)nc(C)n1 ZINC000659858348 411479800 /nfs/dbraw/zinc/47/98/00/411479800.db2.gz RPDUXQXFLYSAPJ-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(N)c1 ZINC000297935576 411483336 /nfs/dbraw/zinc/48/33/36/411483336.db2.gz RORCPDLGLKZLFJ-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(N)c1 ZINC000297935576 411483339 /nfs/dbraw/zinc/48/33/39/411483339.db2.gz RORCPDLGLKZLFJ-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO Cc1c[nH]c(CNCc2ccn(C(C)C)n2)[nH+]1 ZINC000657371738 411485214 /nfs/dbraw/zinc/48/52/14/411485214.db2.gz VHLIHGBNORSBCP-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000659874784 411485496 /nfs/dbraw/zinc/48/54/96/411485496.db2.gz REPIUECMDUGQGL-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000659874784 411485499 /nfs/dbraw/zinc/48/54/99/411485499.db2.gz REPIUECMDUGQGL-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CCN(c1cc[nH+]c(C2CC2)n1)[C@H]1CCOC1 ZINC000360035001 169944928 /nfs/dbraw/zinc/94/49/28/169944928.db2.gz CHZDVGTYEZLMHK-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCS[C@H](C)C2)[nH]1 ZINC000659880092 411487929 /nfs/dbraw/zinc/48/79/29/411487929.db2.gz YAANNCADLKFEQK-BDAKNGLRSA-N 1 2 240.376 1.865 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCS[C@H](C)C2)[nH]1 ZINC000659880092 411487932 /nfs/dbraw/zinc/48/79/32/411487932.db2.gz YAANNCADLKFEQK-BDAKNGLRSA-N 1 2 240.376 1.865 20 0 BDADLO COCCCn1ccc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000657397484 411494669 /nfs/dbraw/zinc/49/46/69/411494669.db2.gz WLTWUKSHBSUCMJ-UHFFFAOYSA-N 1 2 249.318 1.563 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H](C)O1 ZINC000659916281 411496754 /nfs/dbraw/zinc/49/67/54/411496754.db2.gz BJDOHHFXYLFXDJ-VHSXEESVSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H](C)O1 ZINC000659916281 411496757 /nfs/dbraw/zinc/49/67/57/411496757.db2.gz BJDOHHFXYLFXDJ-VHSXEESVSA-N 1 2 240.303 1.683 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccc(N(C)C)n2)n1 ZINC000657416303 411500249 /nfs/dbraw/zinc/50/02/49/411500249.db2.gz ABSQGEMLMPORFH-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)CO)c2[nH+]ccn21 ZINC000655134860 411501903 /nfs/dbraw/zinc/50/19/03/411501903.db2.gz QQBRSRJDRDTFRP-RKDXNWHRSA-N 1 2 237.303 1.024 20 0 BDADLO Cc1c[nH]c(CNc2cnc3c(c2)COCC3)[nH+]1 ZINC000657427437 411503903 /nfs/dbraw/zinc/50/39/03/411503903.db2.gz BSGMWKJEVAVEQB-UHFFFAOYSA-N 1 2 244.298 1.798 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC12CC2 ZINC000655150170 411506095 /nfs/dbraw/zinc/50/60/95/411506095.db2.gz WXAUGYHMFLZMLN-NXEZZACHSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC12CC2 ZINC000655150170 411506099 /nfs/dbraw/zinc/50/60/99/411506099.db2.gz WXAUGYHMFLZMLN-NXEZZACHSA-N 1 2 233.315 1.505 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CC23CCCC3)n1 ZINC000657448578 411509831 /nfs/dbraw/zinc/50/98/31/411509831.db2.gz LORWGTRJSUATRI-SNVBAGLBSA-N 1 2 249.362 1.850 20 0 BDADLO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccon1 ZINC000336752585 411514050 /nfs/dbraw/zinc/51/40/50/411514050.db2.gz VVNJJQLFVQKLPX-HTRCEHHLSA-N 1 2 238.209 1.639 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CC23CC3)n1 ZINC000657495149 411535133 /nfs/dbraw/zinc/53/51/33/411535133.db2.gz HYHRLAMIPXIDNF-QMMMGPOBSA-N 1 2 221.308 1.070 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660010734 411527747 /nfs/dbraw/zinc/52/77/47/411527747.db2.gz LLUCAZUKZUNWLJ-UTLUCORTSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660010734 411527749 /nfs/dbraw/zinc/52/77/49/411527749.db2.gz LLUCAZUKZUNWLJ-UTLUCORTSA-N 1 2 235.274 1.520 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)nc(C)n1 ZINC000660013343 411528567 /nfs/dbraw/zinc/52/85/67/411528567.db2.gz WMZCVDGGQBRDLJ-QWRGUYRKSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)nc(C)n1 ZINC000660013343 411528568 /nfs/dbraw/zinc/52/85/68/411528568.db2.gz WMZCVDGGQBRDLJ-QWRGUYRKSA-N 1 2 235.331 1.703 20 0 BDADLO COc1c(C)cccc1C[NH2+]Cc1cn(C)nn1 ZINC000655831978 411529441 /nfs/dbraw/zinc/52/94/41/411529441.db2.gz PHQCZPLGBLKGCU-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000371808685 170006473 /nfs/dbraw/zinc/00/64/73/170006473.db2.gz KBDVKZBMYARHMF-VIFPVBQESA-N 1 2 225.292 1.586 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000371808685 170006474 /nfs/dbraw/zinc/00/64/74/170006474.db2.gz KBDVKZBMYARHMF-VIFPVBQESA-N 1 2 225.292 1.586 20 0 BDADLO FC1(F)C[C@H]1OCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000660118301 411539314 /nfs/dbraw/zinc/53/93/14/411539314.db2.gz BVDHRGSYQRDUFT-SNVBAGLBSA-N 1 2 243.257 1.192 20 0 BDADLO FC1(F)C[C@H]1OCC[N@H+]1CCc2c[nH]nc2C1 ZINC000660118301 411539317 /nfs/dbraw/zinc/53/93/17/411539317.db2.gz BVDHRGSYQRDUFT-SNVBAGLBSA-N 1 2 243.257 1.192 20 0 BDADLO CCN1CN(CCCc2ccc(C)[nH+]c2)CC1=O ZINC000355178673 170025958 /nfs/dbraw/zinc/02/59/58/170025958.db2.gz PLYUMTJTGWJTNZ-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCCF)[C@@H](C)C1 ZINC000336646449 170035167 /nfs/dbraw/zinc/03/51/67/170035167.db2.gz CWPFXBMBDIRSCF-QWRGUYRKSA-N 1 2 202.317 1.666 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000048610215 170054763 /nfs/dbraw/zinc/05/47/63/170054763.db2.gz UWXIAUIPLMZBPI-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000048610215 170054765 /nfs/dbraw/zinc/05/47/65/170054765.db2.gz UWXIAUIPLMZBPI-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000352301539 170055511 /nfs/dbraw/zinc/05/55/11/170055511.db2.gz GFBZTJJAEOCHHF-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000352301539 170055512 /nfs/dbraw/zinc/05/55/12/170055512.db2.gz GFBZTJJAEOCHHF-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1scnc1C ZINC000119338970 170058021 /nfs/dbraw/zinc/05/80/21/170058021.db2.gz QDKONXGCFQRFNZ-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1scnc1C ZINC000119338970 170058022 /nfs/dbraw/zinc/05/80/22/170058022.db2.gz QDKONXGCFQRFNZ-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCNC(=O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285373287 170058946 /nfs/dbraw/zinc/05/89/46/170058946.db2.gz MRJSXLKIZNTAGR-NSHDSACASA-N 1 2 236.319 1.073 20 0 BDADLO CCNC(=O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285373287 170058947 /nfs/dbraw/zinc/05/89/47/170058947.db2.gz MRJSXLKIZNTAGR-NSHDSACASA-N 1 2 236.319 1.073 20 0 BDADLO CCNC(=O)C[NH2+][C@@H](C)c1csc(CC)n1 ZINC000299345664 170065992 /nfs/dbraw/zinc/06/59/92/170065992.db2.gz OZDFJOPOBXTIKL-QMMMGPOBSA-N 1 2 241.360 1.492 20 0 BDADLO CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000119048344 170074497 /nfs/dbraw/zinc/07/44/97/170074497.db2.gz KPEKECOEMIPFKM-GHMZBOCLSA-N 1 2 236.319 1.496 20 0 BDADLO c1[nH]nc2c1C[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC000660136900 411544287 /nfs/dbraw/zinc/54/42/87/411544287.db2.gz ODDMPGXHVMOCOS-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO c1[nH]nc2c1C[N@@H+](Cc1cc(C3CC3)no1)CC2 ZINC000660136900 411544288 /nfs/dbraw/zinc/54/42/88/411544288.db2.gz ODDMPGXHVMOCOS-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000068556348 170079515 /nfs/dbraw/zinc/07/95/15/170079515.db2.gz QYSGTEQUZIGRDE-UHFFFAOYSA-N 1 2 236.319 1.593 20 0 BDADLO CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000049070433 170081042 /nfs/dbraw/zinc/08/10/42/170081042.db2.gz KGGDCBIWBMHMGE-UHFFFAOYSA-N 1 2 232.287 1.462 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000289971632 170087968 /nfs/dbraw/zinc/08/79/68/170087968.db2.gz XJWPOTIXTJUTQY-DTWKUNHWSA-N 1 2 225.292 1.158 20 0 BDADLO CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339243102 170089765 /nfs/dbraw/zinc/08/97/65/170089765.db2.gz VZSKFBWNXWBCBC-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339243102 170089766 /nfs/dbraw/zinc/08/97/66/170089766.db2.gz VZSKFBWNXWBCBC-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1c[nH]c(CNc2ccc3c(c2)nnn3C)[nH+]1 ZINC000657499058 411536516 /nfs/dbraw/zinc/53/65/16/411536516.db2.gz SNHBMSHYJGEXRZ-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO Cc1occc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657568191 411553088 /nfs/dbraw/zinc/55/30/88/411553088.db2.gz CVDQZZPTHNORQQ-KCJUWKMLSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1occc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657568193 411553262 /nfs/dbraw/zinc/55/32/62/411553262.db2.gz CVDQZZPTHNORQQ-LDYMZIIASA-N 1 2 232.287 1.975 20 0 BDADLO CC(C)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660206403 411553572 /nfs/dbraw/zinc/55/35/72/411553572.db2.gz IZKNNROITOROJL-SECBINFHSA-N 1 2 224.308 1.436 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2Cc3ccccc3O2)n1 ZINC000051860586 170132048 /nfs/dbraw/zinc/13/20/48/170132048.db2.gz MRBKMTCEVNPXNU-LLVKDONJSA-N 1 2 245.282 1.855 20 0 BDADLO CO[C@@H](C[N@@H+]1CCC(F)(F)C1)[C@H]1CCOC1 ZINC000660216525 411554298 /nfs/dbraw/zinc/55/42/98/411554298.db2.gz YFDCUKFJRIYLTR-UWVGGRQHSA-N 1 2 235.274 1.379 20 0 BDADLO CO[C@@H](C[N@H+]1CCC(F)(F)C1)[C@H]1CCOC1 ZINC000660216525 411554300 /nfs/dbraw/zinc/55/43/00/411554300.db2.gz YFDCUKFJRIYLTR-UWVGGRQHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1CC[N@H+](CCc2c[nH]nn2)C[C@@H]1F ZINC000660221119 411554905 /nfs/dbraw/zinc/55/49/05/411554905.db2.gz LZPLZMRCSZNANB-WPRPVWTQSA-N 1 2 212.272 1.027 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2c[nH]nn2)C[C@@H]1F ZINC000660221119 411554907 /nfs/dbraw/zinc/55/49/07/411554907.db2.gz LZPLZMRCSZNANB-WPRPVWTQSA-N 1 2 212.272 1.027 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142229 411544798 /nfs/dbraw/zinc/54/47/98/411544798.db2.gz RQPIEJAOVLUTQT-LLVKDONJSA-N 1 2 225.336 1.903 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142229 411544799 /nfs/dbraw/zinc/54/47/99/411544799.db2.gz RQPIEJAOVLUTQT-LLVKDONJSA-N 1 2 225.336 1.903 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCC(C)(C)O1 ZINC000660141510 411545027 /nfs/dbraw/zinc/54/50/27/411545027.db2.gz DPAJGSOFQNCPIY-SNVBAGLBSA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCC(C)(C)O1 ZINC000660141510 411545029 /nfs/dbraw/zinc/54/50/29/411545029.db2.gz DPAJGSOFQNCPIY-SNVBAGLBSA-N 1 2 223.320 1.799 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@H]2C)c(C)o1 ZINC000660144982 411545770 /nfs/dbraw/zinc/54/57/70/411545770.db2.gz KPFMSGDSBCPHBH-MRVPVSSYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@H]2C)c(C)o1 ZINC000660144982 411545772 /nfs/dbraw/zinc/54/57/72/411545772.db2.gz KPFMSGDSBCPHBH-MRVPVSSYSA-N 1 2 237.303 1.002 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CCCCO1 ZINC000121511848 170187746 /nfs/dbraw/zinc/18/77/46/170187746.db2.gz UXFOSGIABDBISZ-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000176514315 170197128 /nfs/dbraw/zinc/19/71/28/170197128.db2.gz YZTXEAIUTXKJRZ-UHFFFAOYSA-N 1 2 236.271 1.590 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000183917503 170215126 /nfs/dbraw/zinc/21/51/26/170215126.db2.gz WVZVKUZNZCVRKC-VIFPVBQESA-N 1 2 242.344 1.742 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183917503 170215127 /nfs/dbraw/zinc/21/51/27/170215127.db2.gz WVZVKUZNZCVRKC-VIFPVBQESA-N 1 2 242.344 1.742 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCc1cccnc1 ZINC000063224085 170216535 /nfs/dbraw/zinc/21/65/35/170216535.db2.gz QPUNQSKUKSWROV-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCc1cccnc1 ZINC000063224085 170216536 /nfs/dbraw/zinc/21/65/36/170216536.db2.gz QPUNQSKUKSWROV-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H](O)C(C)C)C1CC1 ZINC000309124723 170217664 /nfs/dbraw/zinc/21/76/64/170217664.db2.gz QVISKVVMJJZGIE-NSHDSACASA-N 1 2 229.320 1.031 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H](O)C(C)C)C1CC1 ZINC000309124723 170217665 /nfs/dbraw/zinc/21/76/65/170217665.db2.gz QVISKVVMJJZGIE-NSHDSACASA-N 1 2 229.320 1.031 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000035081150 170217868 /nfs/dbraw/zinc/21/78/68/170217868.db2.gz SUABQQNYQZFCKT-UHFFFAOYSA-N 1 2 248.326 1.796 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cccc(N)c1)C1CC1 ZINC000035081150 170217869 /nfs/dbraw/zinc/21/78/69/170217869.db2.gz SUABQQNYQZFCKT-UHFFFAOYSA-N 1 2 248.326 1.796 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657630783 411567179 /nfs/dbraw/zinc/56/71/79/411567179.db2.gz OLYUMJVMKCZZLE-LLVKDONJSA-N 1 2 221.304 1.519 20 0 BDADLO CCOC(=O)CN(Cc1cc[nH+]c(N)c1)C1CC1 ZINC000298043579 170218162 /nfs/dbraw/zinc/21/81/62/170218162.db2.gz HBMYGHYNVSOUCV-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO CCOC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285474373 170219106 /nfs/dbraw/zinc/21/91/06/170219106.db2.gz CHPDDXNJMADFGQ-UHFFFAOYSA-N 1 2 249.314 1.072 20 0 BDADLO CCOC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285474373 170219107 /nfs/dbraw/zinc/21/91/07/170219107.db2.gz CHPDDXNJMADFGQ-UHFFFAOYSA-N 1 2 249.314 1.072 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361957684 170220616 /nfs/dbraw/zinc/22/06/16/170220616.db2.gz FKKQTCOKTKNHNS-NSHDSACASA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361957684 170220617 /nfs/dbraw/zinc/22/06/17/170220617.db2.gz FKKQTCOKTKNHNS-NSHDSACASA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339730271 170226078 /nfs/dbraw/zinc/22/60/78/170226078.db2.gz QSNDHRVQGYIILH-LBPRGKRZSA-N 1 2 243.347 1.326 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043642141 170247669 /nfs/dbraw/zinc/24/76/69/170247669.db2.gz DCMKUCDCWQPIIL-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043642141 170247670 /nfs/dbraw/zinc/24/76/70/170247670.db2.gz DCMKUCDCWQPIIL-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1cccnc1 ZINC000084120511 170249656 /nfs/dbraw/zinc/24/96/56/170249656.db2.gz HSQJWRSFLIBJFL-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1cccnc1 ZINC000084120511 170249657 /nfs/dbraw/zinc/24/96/57/170249657.db2.gz HSQJWRSFLIBJFL-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)COC ZINC000336779554 170249945 /nfs/dbraw/zinc/24/99/45/170249945.db2.gz OQQROAZGPWNCGF-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)CC(C)(C)C1 ZINC000660248319 411559625 /nfs/dbraw/zinc/55/96/25/411559625.db2.gz PKIWGYMAKJWYDI-JTQLQIEISA-N 1 2 222.336 1.715 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)CC(C)(C)C1 ZINC000660248319 411559626 /nfs/dbraw/zinc/55/96/26/411559626.db2.gz PKIWGYMAKJWYDI-JTQLQIEISA-N 1 2 222.336 1.715 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000043637762 170268806 /nfs/dbraw/zinc/26/88/06/170268806.db2.gz BEBWRRHEQLHZEZ-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO CCOC(=O)[C@H](CC)SCc1c[nH+]cn1C ZINC000279869231 170272837 /nfs/dbraw/zinc/27/28/37/170272837.db2.gz GIGUZRSAQNNMAE-JTQLQIEISA-N 1 2 242.344 1.995 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000050064517 170281216 /nfs/dbraw/zinc/28/12/16/170281216.db2.gz PZFJCYIWQLXUIZ-LLVKDONJSA-N 1 2 223.272 1.807 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000050064517 170281217 /nfs/dbraw/zinc/28/12/17/170281217.db2.gz PZFJCYIWQLXUIZ-LLVKDONJSA-N 1 2 223.272 1.807 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)co1 ZINC000660276668 411564328 /nfs/dbraw/zinc/56/43/28/411564328.db2.gz RPMBPTFHOQWWMB-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)co1 ZINC000660276668 411564329 /nfs/dbraw/zinc/56/43/29/411564329.db2.gz RPMBPTFHOQWWMB-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO CCOC1(C)CC[NH+](Cc2nc(C)no2)CC1 ZINC000336669722 170319562 /nfs/dbraw/zinc/31/95/62/170319562.db2.gz APYWLHLLYIXYGT-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO CCOC1C[NH+](Cc2ccc(C(=O)NC)cc2)C1 ZINC000297552336 170336840 /nfs/dbraw/zinc/33/68/40/170336840.db2.gz ZSWLSLDFSQQNBL-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO CCOC1C[NH+](Cc2cccc(OC)c2)C1 ZINC000297315206 170337149 /nfs/dbraw/zinc/33/71/49/170337149.db2.gz CDPFNHFIGRWTLO-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCOC1C[NH+](Cc2cccc(O)c2)C1 ZINC000297402535 170337376 /nfs/dbraw/zinc/33/73/76/170337376.db2.gz KMUPMAUPASMBGP-UHFFFAOYSA-N 1 2 207.273 1.613 20 0 BDADLO CCOCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263934617 170340388 /nfs/dbraw/zinc/34/03/88/170340388.db2.gz FEPCHVWAJYUYOS-JTQLQIEISA-N 1 2 237.303 1.152 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1nc(N(C)C)no1 ZINC000339374534 170356054 /nfs/dbraw/zinc/35/60/54/170356054.db2.gz DCOFNFRANYDQHH-UHFFFAOYSA-N 1 2 242.323 1.040 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1nc(COC)no1 ZINC000339379836 170356473 /nfs/dbraw/zinc/35/64/73/170356473.db2.gz SQPJNKUMFQQRLT-UHFFFAOYSA-N 1 2 243.307 1.121 20 0 BDADLO C[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCC1=O ZINC000660322124 411568461 /nfs/dbraw/zinc/56/84/61/411568461.db2.gz JHPYRXPFUWLPCT-WCBMZHEXSA-N 1 2 233.258 1.322 20 0 BDADLO C[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCC1=O ZINC000660322124 411568462 /nfs/dbraw/zinc/56/84/62/411568462.db2.gz JHPYRXPFUWLPCT-WCBMZHEXSA-N 1 2 233.258 1.322 20 0 BDADLO OCc1cc(NCCn2cc[nH+]c2)ncc1F ZINC000663334508 411627064 /nfs/dbraw/zinc/62/70/64/411627064.db2.gz QVQOFLJEHSWDOA-UHFFFAOYSA-N 1 2 236.250 1.022 20 0 BDADLO COCCCC[N@H+](C)Cc1nnc(C)s1 ZINC000660827038 411646952 /nfs/dbraw/zinc/64/69/52/411646952.db2.gz WETSQLQHACSOAF-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO COCCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000660827038 411646955 /nfs/dbraw/zinc/64/69/55/411646955.db2.gz WETSQLQHACSOAF-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000660805055 411640580 /nfs/dbraw/zinc/64/05/80/411640580.db2.gz JNVGNRUYZZZGRF-IVZWLZJFSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000660805055 411640583 /nfs/dbraw/zinc/64/05/83/411640583.db2.gz JNVGNRUYZZZGRF-IVZWLZJFSA-N 1 2 238.335 1.131 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1csnn1 ZINC000660811244 411641777 /nfs/dbraw/zinc/64/17/77/411641777.db2.gz GYYSUWPJIFEXCJ-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1csnn1 ZINC000660811244 411641778 /nfs/dbraw/zinc/64/17/78/411641778.db2.gz GYYSUWPJIFEXCJ-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO CCN1CC[N@H+](CCc2cncs2)C[C@@H]1C ZINC000663383446 411643381 /nfs/dbraw/zinc/64/33/81/411643381.db2.gz ODAFUXYUZHDLBB-NSHDSACASA-N 1 2 239.388 1.712 20 0 BDADLO CCN1CC[N@@H+](CCc2cncs2)C[C@@H]1C ZINC000663383446 411643383 /nfs/dbraw/zinc/64/33/83/411643383.db2.gz ODAFUXYUZHDLBB-NSHDSACASA-N 1 2 239.388 1.712 20 0 BDADLO C[C@H]1CCSCC[N@@H+]1CCc1cnn[nH]1 ZINC000660404134 411580127 /nfs/dbraw/zinc/58/01/27/411580127.db2.gz XZTMJTSXFJKFSH-VIFPVBQESA-N 1 2 226.349 1.175 20 0 BDADLO C[C@H]1CCSCC[N@H+]1CCc1cnn[nH]1 ZINC000660404134 411580129 /nfs/dbraw/zinc/58/01/29/411580129.db2.gz XZTMJTSXFJKFSH-VIFPVBQESA-N 1 2 226.349 1.175 20 0 BDADLO C[C@@H]1CC[N@H+](CC2CC=CC2)CCS1(=O)=O ZINC000660416595 411581914 /nfs/dbraw/zinc/58/19/14/411581914.db2.gz UCEPDKKKOPDXTJ-LLVKDONJSA-N 1 2 243.372 1.462 20 0 BDADLO C[C@@H]1CC[N@@H+](CC2CC=CC2)CCS1(=O)=O ZINC000660416595 411581916 /nfs/dbraw/zinc/58/19/16/411581916.db2.gz UCEPDKKKOPDXTJ-LLVKDONJSA-N 1 2 243.372 1.462 20 0 BDADLO O=C1CC[N@H+](Cc2cn[nH]c2)C2(CCC2)C1 ZINC000660820494 411645784 /nfs/dbraw/zinc/64/57/84/411645784.db2.gz PQMSDUQWDXHLSO-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO O=C1CC[N@@H+](Cc2cn[nH]c2)C2(CCC2)C1 ZINC000660820494 411645786 /nfs/dbraw/zinc/64/57/86/411645786.db2.gz PQMSDUQWDXHLSO-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660466074 411589879 /nfs/dbraw/zinc/58/98/79/411589879.db2.gz DNGGKLJDRDOQGG-UWVGGRQHSA-N 1 2 238.335 1.986 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660466074 411589880 /nfs/dbraw/zinc/58/98/80/411589880.db2.gz DNGGKLJDRDOQGG-UWVGGRQHSA-N 1 2 238.335 1.986 20 0 BDADLO CCOC[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284465214 170456380 /nfs/dbraw/zinc/45/63/80/170456380.db2.gz SEVRNZKVGLEECI-UFFNRZRYSA-N 1 2 249.314 1.308 20 0 BDADLO COc1ccc(CN2CCn3c[nH+]cc3C2)nc1 ZINC000660582481 411602675 /nfs/dbraw/zinc/60/26/75/411602675.db2.gz REDSZLPFURDGJN-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CCc1nnc([C@@H](C)N2CCn3c[nH+]cc3C2)[nH]1 ZINC000660584217 411603853 /nfs/dbraw/zinc/60/38/53/411603853.db2.gz QUVARDHDSFQPRH-SECBINFHSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1cnnc1CN(C)Cc1cn(C)c[nH+]1 ZINC000660622186 411608651 /nfs/dbraw/zinc/60/86/51/411608651.db2.gz PFKOLKZKWPIOPL-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(OC)ns1 ZINC000660628963 411609910 /nfs/dbraw/zinc/60/99/10/411609910.db2.gz FHBDHBLWQBTPES-MRVPVSSYSA-N 1 2 228.317 1.372 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(OC)ns1 ZINC000660628963 411609911 /nfs/dbraw/zinc/60/99/11/411609911.db2.gz FHBDHBLWQBTPES-MRVPVSSYSA-N 1 2 228.317 1.372 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)cn2)C1=O ZINC000660683771 411617341 /nfs/dbraw/zinc/61/73/41/411617341.db2.gz KAEMLULLZVHOMR-CYBMUJFWSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)cn2)C1=O ZINC000660683771 411617342 /nfs/dbraw/zinc/61/73/42/411617342.db2.gz KAEMLULLZVHOMR-CYBMUJFWSA-N 1 2 247.342 1.443 20 0 BDADLO CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H](F)C2)n1 ZINC000660692608 411617875 /nfs/dbraw/zinc/61/78/75/411617875.db2.gz QRXDPHQVLNCMAS-SECBINFHSA-N 1 2 241.314 1.014 20 0 BDADLO CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H](F)C2)n1 ZINC000660692608 411617876 /nfs/dbraw/zinc/61/78/76/411617876.db2.gz QRXDPHQVLNCMAS-SECBINFHSA-N 1 2 241.314 1.014 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n[nH]1 ZINC000629949419 411621719 /nfs/dbraw/zinc/62/17/19/411621719.db2.gz GKFVWJJLUNVEQB-ZETCQYMHSA-N 1 2 233.275 1.259 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000629949419 411621720 /nfs/dbraw/zinc/62/17/20/411621720.db2.gz GKFVWJJLUNVEQB-ZETCQYMHSA-N 1 2 233.275 1.259 20 0 BDADLO C[C@@H](NC(=O)NCCC1CC1)c1[nH+]ccn1C ZINC000660762159 411622121 /nfs/dbraw/zinc/62/21/21/411622121.db2.gz DUAVIIJPPRLEDA-SECBINFHSA-N 1 2 236.319 1.580 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH+]c[nH]2)co1 ZINC000661090093 411703412 /nfs/dbraw/zinc/70/34/12/411703412.db2.gz LUYQHVMTXQGVLP-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH]c[nH+]2)co1 ZINC000661090093 411703414 /nfs/dbraw/zinc/70/34/14/411703414.db2.gz LUYQHVMTXQGVLP-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CC(C)n1nccc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661089699 411703453 /nfs/dbraw/zinc/70/34/53/411703453.db2.gz FSGHTRKTTNJXNL-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO CC(C)n1nccc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661089699 411703456 /nfs/dbraw/zinc/70/34/56/411703456.db2.gz FSGHTRKTTNJXNL-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO C[C@H](c1csnn1)N(C)Cc1c[nH+]c[nH]1 ZINC000661093759 411705891 /nfs/dbraw/zinc/70/58/91/411705891.db2.gz RIICPHCJWZHCJS-SSDOTTSWSA-N 1 2 223.305 1.454 20 0 BDADLO C[C@H](c1csnn1)N(C)Cc1c[nH]c[nH+]1 ZINC000661093759 411705895 /nfs/dbraw/zinc/70/58/95/411705895.db2.gz RIICPHCJWZHCJS-SSDOTTSWSA-N 1 2 223.305 1.454 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843499 411654767 /nfs/dbraw/zinc/65/47/67/411654767.db2.gz ZMMWCSZTOUBYJA-UHFFFAOYSA-N 1 2 238.247 1.012 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843499 411654769 /nfs/dbraw/zinc/65/47/69/411654769.db2.gz ZMMWCSZTOUBYJA-UHFFFAOYSA-N 1 2 238.247 1.012 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000660847510 411655892 /nfs/dbraw/zinc/65/58/92/411655892.db2.gz AEMXWOQIDIGERG-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000660847510 411655894 /nfs/dbraw/zinc/65/58/94/411655894.db2.gz AEMXWOQIDIGERG-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCC(C)(C)O1 ZINC000660845080 411656871 /nfs/dbraw/zinc/65/68/71/411656871.db2.gz IUOZGYOOABERQW-MRVPVSSYSA-N 1 2 241.291 1.165 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCC(C)(C)O1 ZINC000660845080 411656872 /nfs/dbraw/zinc/65/68/72/411656872.db2.gz IUOZGYOOABERQW-MRVPVSSYSA-N 1 2 241.291 1.165 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000661084711 411695778 /nfs/dbraw/zinc/69/57/78/411695778.db2.gz HGFRXJAGDWYZLG-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH]c[nH+]2)o1 ZINC000661084711 411695782 /nfs/dbraw/zinc/69/57/82/411695782.db2.gz HGFRXJAGDWYZLG-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)[C@@H]1CCOC1 ZINC000605572323 411697699 /nfs/dbraw/zinc/69/76/99/411697699.db2.gz VPKJGKRZIZYZGV-GHMZBOCLSA-N 1 2 249.314 1.163 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cncc(F)c1 ZINC000661089061 411700103 /nfs/dbraw/zinc/70/01/03/411700103.db2.gz WCJWNTGCGKPNHR-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@](C)(C2CC2)C1 ZINC000661171878 411728388 /nfs/dbraw/zinc/72/83/88/411728388.db2.gz ZABBHEVPSLGNOJ-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CC[C@@H]1C)c1[nH+]ccn1C ZINC000661179207 411730056 /nfs/dbraw/zinc/73/00/56/411730056.db2.gz JRPBRWXNBDOPEY-LPEHRKFASA-N 1 2 236.319 1.579 20 0 BDADLO Cc1ccc(N(C)CCCn2cc[nH+]c2)nn1 ZINC000663729277 411733564 /nfs/dbraw/zinc/73/35/64/411733564.db2.gz XTVRPOQTPYORKS-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCC(=O)NC1CC1 ZINC000518562387 411736499 /nfs/dbraw/zinc/73/64/99/411736499.db2.gz HQMHLKRHFGJBPV-UHFFFAOYSA-N 1 2 248.330 1.564 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC(C)(F)F ZINC000661237918 411739820 /nfs/dbraw/zinc/73/98/20/411739820.db2.gz AXTQDGDOAVWWDQ-UHFFFAOYSA-N 1 2 232.234 1.206 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC(C)(F)F ZINC000661237918 411739823 /nfs/dbraw/zinc/73/98/23/411739823.db2.gz AXTQDGDOAVWWDQ-UHFFFAOYSA-N 1 2 232.234 1.206 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661269079 411746509 /nfs/dbraw/zinc/74/65/09/411746509.db2.gz ZNAUDIVGXWGQHR-ZJUUUORDSA-N 1 2 236.319 1.597 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661269079 411746511 /nfs/dbraw/zinc/74/65/11/411746511.db2.gz ZNAUDIVGXWGQHR-ZJUUUORDSA-N 1 2 236.319 1.597 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000661358542 411755121 /nfs/dbraw/zinc/75/51/21/411755121.db2.gz PBZMTBFUNOKMBP-SECBINFHSA-N 1 2 238.335 1.986 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000661358542 411755122 /nfs/dbraw/zinc/75/51/22/411755122.db2.gz PBZMTBFUNOKMBP-SECBINFHSA-N 1 2 238.335 1.986 20 0 BDADLO CCc1cc(NCC[C@H](O)C(F)F)nc[nH+]1 ZINC000631459923 411768325 /nfs/dbraw/zinc/76/83/25/411768325.db2.gz KHOBBKWWNWOAPO-QMMMGPOBSA-N 1 2 231.246 1.467 20 0 BDADLO CCc1cc(NCc2ccc[nH+]c2N)ncn1 ZINC000663962192 411793353 /nfs/dbraw/zinc/79/33/53/411793353.db2.gz LYGADODWDVGLEF-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO CCc1csc(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000624621181 411771056 /nfs/dbraw/zinc/77/10/56/411771056.db2.gz WGPXXZIQHNXZKN-JTQLQIEISA-N 1 2 241.360 1.448 20 0 BDADLO CCc1csc(NC[C@H]2COCC[N@H+]2C)n1 ZINC000624621181 411771060 /nfs/dbraw/zinc/77/10/60/411771060.db2.gz WGPXXZIQHNXZKN-JTQLQIEISA-N 1 2 241.360 1.448 20 0 BDADLO O[C@@H]1CC[N@H+](CC2CC=CC2)CC1(F)F ZINC000661415517 411771587 /nfs/dbraw/zinc/77/15/87/411771587.db2.gz ZHEQQHQJSZEMQB-SNVBAGLBSA-N 1 2 217.259 1.655 20 0 BDADLO O[C@@H]1CC[N@@H+](CC2CC=CC2)CC1(F)F ZINC000661415517 411771589 /nfs/dbraw/zinc/77/15/89/411771589.db2.gz ZHEQQHQJSZEMQB-SNVBAGLBSA-N 1 2 217.259 1.655 20 0 BDADLO COCC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CCC1 ZINC000661415583 411772013 /nfs/dbraw/zinc/77/20/13/411772013.db2.gz ZOHBGVHJUIKOGY-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO COCC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)CCC1 ZINC000661415583 411772016 /nfs/dbraw/zinc/77/20/16/411772016.db2.gz ZOHBGVHJUIKOGY-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2COC2)[nH+]1 ZINC000528226731 411776893 /nfs/dbraw/zinc/77/68/93/411776893.db2.gz VETYBUFALUMPCT-UHFFFAOYSA-N 1 2 218.260 1.325 20 0 BDADLO C[C@@H](Nc1ncnc2c1ncn2C)c1[nH]cc[nH+]1 ZINC000663930266 411780074 /nfs/dbraw/zinc/78/00/74/411780074.db2.gz VXJXBQGCGFCFIE-SSDOTTSWSA-N 1 2 243.274 1.260 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CCO[C@@H]2C[C@@H]21 ZINC000663930663 411780539 /nfs/dbraw/zinc/78/05/39/411780539.db2.gz BTBKNKCIZVIUME-QWHCGFSZSA-N 1 2 241.294 1.795 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)no1 ZINC000661487491 411784674 /nfs/dbraw/zinc/78/46/74/411784674.db2.gz GOVDSKCXYLXBJY-MWLCHTKSSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)no1 ZINC000661487491 411784678 /nfs/dbraw/zinc/78/46/78/411784678.db2.gz GOVDSKCXYLXBJY-MWLCHTKSSA-N 1 2 239.319 1.361 20 0 BDADLO CC(C)c1nc(N2C[C@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000663945525 411785687 /nfs/dbraw/zinc/78/56/87/411785687.db2.gz FOAQJZUZGXQZLS-VHSXEESVSA-N 1 2 249.362 1.906 20 0 BDADLO CC(C)c1nc(N2C[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000663945526 411785787 /nfs/dbraw/zinc/78/57/87/411785787.db2.gz FOAQJZUZGXQZLS-ZJUUUORDSA-N 1 2 249.362 1.906 20 0 BDADLO Cc1nc(N[C@H](C)[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000631495336 411788231 /nfs/dbraw/zinc/78/82/31/411788231.db2.gz ZGWZNWIVUWFVJG-SVGQVSJJSA-N 1 2 235.209 1.509 20 0 BDADLO Cc1cccn(CCc2c[nH+]cn2C)c1=O ZINC000663969080 411790507 /nfs/dbraw/zinc/79/05/07/411790507.db2.gz OSJSYGYPMPSJLP-UHFFFAOYSA-N 1 2 217.272 1.133 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)nn1C ZINC000661168167 411726630 /nfs/dbraw/zinc/72/66/30/411726630.db2.gz LILBMVWSDWDUSF-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)nn1C ZINC000661168167 411726633 /nfs/dbraw/zinc/72/66/33/411726633.db2.gz LILBMVWSDWDUSF-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2nnc(C)o2)c1 ZINC000661529444 411796755 /nfs/dbraw/zinc/79/67/55/411796755.db2.gz ZDXJQCQKTIQQEJ-UHFFFAOYSA-N 1 2 235.291 1.015 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2nnc(C)o2)c1 ZINC000661529444 411796758 /nfs/dbraw/zinc/79/67/58/411796758.db2.gz ZDXJQCQKTIQQEJ-UHFFFAOYSA-N 1 2 235.291 1.015 20 0 BDADLO C[C@H]1C[C@@H](Nc2cnccn2)c2[nH+]ccn21 ZINC000663975725 411798188 /nfs/dbraw/zinc/79/81/88/411798188.db2.gz UGXITOBKHCWYRS-DTWKUNHWSA-N 1 2 215.260 1.791 20 0 BDADLO C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H](C)C1=O ZINC000661553530 411800925 /nfs/dbraw/zinc/80/09/25/411800925.db2.gz YCEOXFLJKZFJOD-NXEZZACHSA-N 1 2 240.347 1.058 20 0 BDADLO CCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661551240 411801283 /nfs/dbraw/zinc/80/12/83/411801283.db2.gz BFGJYBZLUBXMCQ-MXWKQRLJSA-N 1 2 240.347 1.058 20 0 BDADLO CCn1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000618044051 411809764 /nfs/dbraw/zinc/80/97/64/411809764.db2.gz AYGNRLDDDQMBSM-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO CCn1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000618044051 411809769 /nfs/dbraw/zinc/80/97/69/411809769.db2.gz AYGNRLDDDQMBSM-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO Cc1ccc(Cn2cc3c(n2)CCOC3)c[nH+]1 ZINC000664048243 411828052 /nfs/dbraw/zinc/82/80/52/411828052.db2.gz DOVAOWRKNDUNJC-UHFFFAOYSA-N 1 2 229.283 1.708 20 0 BDADLO Cn1ccc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000661656468 411831400 /nfs/dbraw/zinc/83/14/00/411831400.db2.gz XOTIMTLZKXOXNG-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO Cn1ccc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000661656468 411831404 /nfs/dbraw/zinc/83/14/04/411831404.db2.gz XOTIMTLZKXOXNG-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO COC1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000631299427 411859771 /nfs/dbraw/zinc/85/97/71/411859771.db2.gz ZYKPMMIEVVPBLO-UHFFFAOYSA-N 1 2 237.307 1.132 20 0 BDADLO COC1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000631299427 411859775 /nfs/dbraw/zinc/85/97/75/411859775.db2.gz ZYKPMMIEVVPBLO-UHFFFAOYSA-N 1 2 237.307 1.132 20 0 BDADLO OC/C=C/CNc1cc(N2CCCC2)nc[nH+]1 ZINC000664234502 411891957 /nfs/dbraw/zinc/89/19/57/411891957.db2.gz CQHPJXSNWMHTRC-DAFODLJHSA-N 1 2 234.303 1.037 20 0 BDADLO OC/C=C/CNc1cc(N2CCCC2)[nH+]cn1 ZINC000664234502 411891959 /nfs/dbraw/zinc/89/19/59/411891959.db2.gz CQHPJXSNWMHTRC-DAFODLJHSA-N 1 2 234.303 1.037 20 0 BDADLO CCCCN(CCOC)c1nc(C)[nH+]c(N)n1 ZINC000631114153 411898352 /nfs/dbraw/zinc/89/83/52/411898352.db2.gz RGLBKZOLXXVPBO-UHFFFAOYSA-N 1 2 239.323 1.015 20 0 BDADLO CCCCN(CCOC)c1nc(N)nc(C)[nH+]1 ZINC000631114153 411898356 /nfs/dbraw/zinc/89/83/56/411898356.db2.gz RGLBKZOLXXVPBO-UHFFFAOYSA-N 1 2 239.323 1.015 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661850509 411900506 /nfs/dbraw/zinc/90/05/06/411900506.db2.gz JKGRVVUUXWGPPW-KXUCPTDWSA-N 1 2 238.335 1.673 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661850509 411900508 /nfs/dbraw/zinc/90/05/08/411900508.db2.gz JKGRVVUUXWGPPW-KXUCPTDWSA-N 1 2 238.335 1.673 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000277498595 170799973 /nfs/dbraw/zinc/79/99/73/170799973.db2.gz RCCAEJKTDIZUAY-RNFRBKRXSA-N 1 2 244.726 1.531 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000277498595 170799975 /nfs/dbraw/zinc/79/99/75/170799975.db2.gz RCCAEJKTDIZUAY-RNFRBKRXSA-N 1 2 244.726 1.531 20 0 BDADLO Cc1nnc(CN(C)c2cc(C)[nH+]cn2)o1 ZINC000664297283 411915041 /nfs/dbraw/zinc/91/50/41/411915041.db2.gz ZUJWCDPBLVMRIB-UHFFFAOYSA-N 1 2 219.248 1.113 20 0 BDADLO COc1c(N)[nH+]cnc1NCCc1ccoc1 ZINC000664378381 411934402 /nfs/dbraw/zinc/93/44/02/411934402.db2.gz BMIYMLZGAZJFBF-UHFFFAOYSA-N 1 2 234.259 1.315 20 0 BDADLO COc1c(N)nc[nH+]c1NCCc1ccoc1 ZINC000664378381 411934406 /nfs/dbraw/zinc/93/44/06/411934406.db2.gz BMIYMLZGAZJFBF-UHFFFAOYSA-N 1 2 234.259 1.315 20 0 BDADLO CO[C@H](CNc1cc[nH+]c(C)n1)[C@H]1CCOC1 ZINC000664160474 411874849 /nfs/dbraw/zinc/87/48/49/411874849.db2.gz DKNPLXGFSIDERN-WDEREUQCSA-N 1 2 237.303 1.248 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCc1ccoc1 ZINC000661765648 411875637 /nfs/dbraw/zinc/87/56/37/411875637.db2.gz IJIMTPSXARNZAV-UHFFFAOYSA-N 1 2 248.286 1.387 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCc1ccoc1 ZINC000661765648 411875641 /nfs/dbraw/zinc/87/56/41/411875641.db2.gz IJIMTPSXARNZAV-UHFFFAOYSA-N 1 2 248.286 1.387 20 0 BDADLO Cc1cc(N[C@@H](CO)C2CCC2)nc[nH+]1 ZINC000664171936 411878423 /nfs/dbraw/zinc/87/84/23/411878423.db2.gz FIMLIEVBQFHJAP-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000661768294 411881657 /nfs/dbraw/zinc/88/16/57/411881657.db2.gz VLQNEDKYNWDCHZ-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000661768294 411881660 /nfs/dbraw/zinc/88/16/60/411881660.db2.gz VLQNEDKYNWDCHZ-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO Cc1ccc(CN(C)c2nc(C)[nH+]c(N)n2)nc1 ZINC000631240524 411974737 /nfs/dbraw/zinc/97/47/37/411974737.db2.gz FARZAIWREBBSCT-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BDADLO Cc1ccc(CN(C)c2nc(N)nc(C)[nH+]2)nc1 ZINC000631240524 411974744 /nfs/dbraw/zinc/97/47/44/411974744.db2.gz FARZAIWREBBSCT-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCC2(COC2)C1 ZINC000662076550 411978339 /nfs/dbraw/zinc/97/83/39/411978339.db2.gz MLXVTQQXRPHDEL-UHFFFAOYSA-N 1 2 235.287 1.169 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCC2(COC2)C1 ZINC000662076550 411978342 /nfs/dbraw/zinc/97/83/42/411978342.db2.gz MLXVTQQXRPHDEL-UHFFFAOYSA-N 1 2 235.287 1.169 20 0 BDADLO CCS(=O)(=O)C1(CNc2cccc[nH+]2)CC1 ZINC000664546345 411982637 /nfs/dbraw/zinc/98/26/37/411982637.db2.gz JPNCXXZEGYOBND-UHFFFAOYSA-N 1 2 240.328 1.461 20 0 BDADLO CCc1cc(NC2([C@@H](C)O)CC2)nc[nH+]1 ZINC000664551893 411984818 /nfs/dbraw/zinc/98/48/18/411984818.db2.gz VWQHPULFDKRHME-MRVPVSSYSA-N 1 2 207.277 1.364 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nccnc3C2)nc1 ZINC000662123192 411993879 /nfs/dbraw/zinc/99/38/79/411993879.db2.gz ZQJWJBJMLGTILW-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nccnc3C2)nc1 ZINC000662123192 411993880 /nfs/dbraw/zinc/99/38/80/411993880.db2.gz ZQJWJBJMLGTILW-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccon2)CC1(C)C ZINC000664775408 412020233 /nfs/dbraw/zinc/02/02/33/412020233.db2.gz UWUKIFFNBWCBPL-NSHDSACASA-N 1 2 246.314 1.991 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000664605186 411996816 /nfs/dbraw/zinc/99/68/16/411996816.db2.gz OGSKFESOBVDVQX-SKDRFNHKSA-N 1 2 232.287 1.856 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)C[C@H]1CC1(C)C ZINC000664670492 412007664 /nfs/dbraw/zinc/00/76/64/412007664.db2.gz SXCBCRINFCPWGX-MRVPVSSYSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)C[C@H]1CC1(C)C ZINC000664670492 412007668 /nfs/dbraw/zinc/00/76/68/412007668.db2.gz SXCBCRINFCPWGX-MRVPVSSYSA-N 1 2 236.319 1.550 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(Cc2ccon2)CC1(C)C ZINC000664775407 412020963 /nfs/dbraw/zinc/02/09/63/412020963.db2.gz UWUKIFFNBWCBPL-LLVKDONJSA-N 1 2 246.314 1.991 20 0 BDADLO C[C@@H](NC(=O)Nc1ccncc1)c1[nH+]ccn1C ZINC000664454497 411961520 /nfs/dbraw/zinc/96/15/20/411961520.db2.gz KRRZXWYSPLTWGJ-SECBINFHSA-N 1 2 245.286 1.120 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)C[C@H]1CCc2ccccc21 ZINC000662196565 412023058 /nfs/dbraw/zinc/02/30/58/412023058.db2.gz MVEVZDVSGMLIDV-GFCCVEGCSA-N 1 2 242.326 1.967 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)C[C@H]1CCc2ccccc21 ZINC000662196565 412023061 /nfs/dbraw/zinc/02/30/61/412023061.db2.gz MVEVZDVSGMLIDV-GFCCVEGCSA-N 1 2 242.326 1.967 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662227800 412032131 /nfs/dbraw/zinc/03/21/31/412032131.db2.gz QWODIKWZKFTRSM-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662227800 412032133 /nfs/dbraw/zinc/03/21/33/412032133.db2.gz QWODIKWZKFTRSM-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO COCC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662239886 412037529 /nfs/dbraw/zinc/03/75/29/412037529.db2.gz YDQJUISTYUYJHA-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662239886 412037531 /nfs/dbraw/zinc/03/75/31/412037531.db2.gz YDQJUISTYUYJHA-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000292293783 171023148 /nfs/dbraw/zinc/02/31/48/171023148.db2.gz CQVZAAPWIZPGGJ-SNVBAGLBSA-N 1 2 236.319 1.449 20 0 BDADLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000292293783 171023153 /nfs/dbraw/zinc/02/31/53/171023153.db2.gz CQVZAAPWIZPGGJ-SNVBAGLBSA-N 1 2 236.319 1.449 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000330244659 171023482 /nfs/dbraw/zinc/02/34/82/171023482.db2.gz KHZFCLFFGPOGGI-RKDXNWHRSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000330244659 171023484 /nfs/dbraw/zinc/02/34/84/171023484.db2.gz KHZFCLFFGPOGGI-RKDXNWHRSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nc(COC)no1 ZINC000330265222 171024383 /nfs/dbraw/zinc/02/43/83/171024383.db2.gz YYNKBTADTSNVJG-MRVPVSSYSA-N 1 2 211.265 1.200 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nc(COC)no1 ZINC000330265222 171024385 /nfs/dbraw/zinc/02/43/85/171024385.db2.gz YYNKBTADTSNVJG-MRVPVSSYSA-N 1 2 211.265 1.200 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H](C)O1 ZINC000111276786 171076355 /nfs/dbraw/zinc/07/63/55/171076355.db2.gz GABBLCMOXJAPSB-CMPLNLGQSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H](C)O1 ZINC000111276786 171076358 /nfs/dbraw/zinc/07/63/58/171076358.db2.gz GABBLCMOXJAPSB-CMPLNLGQSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@@H](C)O1 ZINC000336686538 171087529 /nfs/dbraw/zinc/08/75/29/171087529.db2.gz GGUHFISJEBXOFL-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@@H](C)O1 ZINC000336686538 171087533 /nfs/dbraw/zinc/08/75/33/171087533.db2.gz GGUHFISJEBXOFL-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000111273722 171090362 /nfs/dbraw/zinc/09/03/62/171090362.db2.gz YHFGYRQYZGTELS-VHSXEESVSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)CCCO1 ZINC000341404051 171098066 /nfs/dbraw/zinc/09/80/66/171098066.db2.gz HZOAYQGJWMWLAV-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000270437266 171098170 /nfs/dbraw/zinc/09/81/70/171098170.db2.gz DPCUCUTYIKTPIA-MWLCHTKSSA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000115575526 171106124 /nfs/dbraw/zinc/10/61/24/171106124.db2.gz TWVBNAKWMOKUCX-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cn2ccccc2n1 ZINC000115575526 171106127 /nfs/dbraw/zinc/10/61/27/171106127.db2.gz TWVBNAKWMOKUCX-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccn(C)n1 ZINC000271018644 171113875 /nfs/dbraw/zinc/11/38/75/171113875.db2.gz SJDWIHGIWAAWSW-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000271018644 171113877 /nfs/dbraw/zinc/11/38/77/171113877.db2.gz SJDWIHGIWAAWSW-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)CCO1 ZINC000330783952 171116252 /nfs/dbraw/zinc/11/62/52/171116252.db2.gz REWPYVRRUXYDSX-GXSJLCMTSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)CCO1 ZINC000330783952 171116255 /nfs/dbraw/zinc/11/62/55/171116255.db2.gz REWPYVRRUXYDSX-GXSJLCMTSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000281713061 171134665 /nfs/dbraw/zinc/13/46/65/171134665.db2.gz DMHOFULSORRFTG-PSASIEDQSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000281713061 171134667 /nfs/dbraw/zinc/13/46/67/171134667.db2.gz DMHOFULSORRFTG-PSASIEDQSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373835423 171138896 /nfs/dbraw/zinc/13/88/96/171138896.db2.gz KYKZPRZBHIMZKA-OUAUKWLOSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112078784 171186078 /nfs/dbraw/zinc/18/60/78/171186078.db2.gz ZPCOHLJGJYUJFQ-GFCCVEGCSA-N 1 2 221.304 1.927 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccnc(C)n1 ZINC000352963531 171206494 /nfs/dbraw/zinc/20/64/94/171206494.db2.gz PNIVINBVIWLMSJ-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccnc(C)n1 ZINC000352963531 171206495 /nfs/dbraw/zinc/20/64/95/171206495.db2.gz PNIVINBVIWLMSJ-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000363680336 171242803 /nfs/dbraw/zinc/24/28/03/171242803.db2.gz ZFUBAQILEAVPEW-RKDXNWHRSA-N 1 2 239.344 1.544 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000363680336 171242805 /nfs/dbraw/zinc/24/28/05/171242805.db2.gz ZFUBAQILEAVPEW-RKDXNWHRSA-N 1 2 239.344 1.544 20 0 BDADLO CC[C@H](C)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268184710 171291521 /nfs/dbraw/zinc/29/15/21/171291521.db2.gz LVNHLRDQAIIKFY-VIFPVBQESA-N 1 2 230.333 1.381 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+][C@H](COC)C(=O)OC ZINC000355081769 171299532 /nfs/dbraw/zinc/29/95/32/171299532.db2.gz TYKLIMPRNFVQMZ-SDDRHHMPSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000338256503 171323597 /nfs/dbraw/zinc/32/35/97/171323597.db2.gz JYOPJLSXLPCZTA-QMMMGPOBSA-N 1 2 240.269 1.785 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000338256503 171323598 /nfs/dbraw/zinc/32/35/98/171323598.db2.gz JYOPJLSXLPCZTA-QMMMGPOBSA-N 1 2 240.269 1.785 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000182532543 171359701 /nfs/dbraw/zinc/35/97/01/171359701.db2.gz RYMGQDDWJKAUSW-WDEREUQCSA-N 1 2 223.320 1.682 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000272593096 171359792 /nfs/dbraw/zinc/35/97/92/171359792.db2.gz WETOCZUWTNUHHE-VHSXEESVSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000356606378 171384504 /nfs/dbraw/zinc/38/45/04/171384504.db2.gz ZACQZPMCFZDEHQ-IUCAKERBSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000356606378 171384505 /nfs/dbraw/zinc/38/45/05/171384505.db2.gz ZACQZPMCFZDEHQ-IUCAKERBSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360817111 171387668 /nfs/dbraw/zinc/38/76/68/171387668.db2.gz LXFRORZROJUDPI-CIUDSAMLSA-N 1 2 234.290 1.534 20 0 BDADLO CC[C@H](C)[C@H](NCCn1cc[nH+]c1)C(=O)OC ZINC000183661251 171399389 /nfs/dbraw/zinc/39/93/89/171399389.db2.gz RFSPGSYEOHPXOW-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO CC[C@H](C)[C@H](Nc1cc(C)[nH+]cn1)C(N)=O ZINC000301855758 171399685 /nfs/dbraw/zinc/39/96/85/171399685.db2.gz RASSCRDHVCOLSE-XVKPBYJWSA-N 1 2 222.292 1.097 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000665106364 412096271 /nfs/dbraw/zinc/09/62/71/412096271.db2.gz NLXPCNXURQXHPN-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CC(=O)c1cccc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000665120640 412102399 /nfs/dbraw/zinc/10/23/99/412102399.db2.gz FHRSSSUEFZITSF-UHFFFAOYSA-N 1 2 246.310 1.922 20 0 BDADLO CCC(CC)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665135440 412108644 /nfs/dbraw/zinc/10/86/44/412108644.db2.gz YFUWBZNQMMGXDY-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO CCC(CC)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665135440 412108645 /nfs/dbraw/zinc/10/86/45/412108645.db2.gz YFUWBZNQMMGXDY-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@](C)(C(F)F)O1 ZINC000662366866 412125189 /nfs/dbraw/zinc/12/51/89/412125189.db2.gz UAMBURGJEPRTTF-KWQFWETISA-N 1 2 245.273 1.654 20 0 BDADLO C[C@H]1C[C@@H](Nc2nccn(C)c2=O)c2[nH+]ccn21 ZINC000621324870 412268910 /nfs/dbraw/zinc/26/89/10/412268910.db2.gz CYLFDIULLXJELT-DTWKUNHWSA-N 1 2 245.286 1.095 20 0 BDADLO CC[C@H](OC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000282904305 171588316 /nfs/dbraw/zinc/58/83/16/171588316.db2.gz FDRNYDKFEPGVTA-JTQLQIEISA-N 1 2 233.271 1.698 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000376957745 171629393 /nfs/dbraw/zinc/62/93/93/171629393.db2.gz LSICWEGVVWOPJZ-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H](Nc1[nH+]c(C2CC2)nc2[nH]ccc21)C(N)=O ZINC000631047595 412238666 /nfs/dbraw/zinc/23/86/66/412238666.db2.gz OANBYQXMSJFPLH-LURJTMIESA-N 1 2 245.286 1.121 20 0 BDADLO CCCCc1cc(NCc2ncn(C)n2)nc[nH+]1 ZINC000631189172 412346824 /nfs/dbraw/zinc/34/68/24/412346824.db2.gz ZOFHLOBSNNQQSN-UHFFFAOYSA-N 1 2 246.318 1.560 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2c(C)cnn2C)[nH]1 ZINC000286268279 172001521 /nfs/dbraw/zinc/00/15/21/172001521.db2.gz BHCDYRZPZQIGIH-SECBINFHSA-N 1 2 248.334 1.260 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)[nH]1 ZINC000278783081 172002200 /nfs/dbraw/zinc/00/22/00/172002200.db2.gz PZLJJRLXNPZGGX-DTWKUNHWSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)[nH]1 ZINC000271575173 172007293 /nfs/dbraw/zinc/00/72/93/172007293.db2.gz WFUMUKKGKKYHHX-IUCAKERBSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nc([C@H]2CCCC[N@@H+]2CCCO)no1 ZINC000370745770 172007848 /nfs/dbraw/zinc/00/78/48/172007848.db2.gz UTIIRFWPKRZCLE-SNVBAGLBSA-N 1 2 239.319 1.541 20 0 BDADLO CCc1nc([C@H]2CCCC[N@H+]2CCCO)no1 ZINC000370745770 172007851 /nfs/dbraw/zinc/00/78/51/172007851.db2.gz UTIIRFWPKRZCLE-SNVBAGLBSA-N 1 2 239.319 1.541 20 0 BDADLO CCc1ncc(C[NH2+]Cc2nncn2C)s1 ZINC000038007984 172019486 /nfs/dbraw/zinc/01/94/86/172019486.db2.gz DVUQMDUDEDJABO-UHFFFAOYSA-N 1 2 237.332 1.124 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@H+](C)[C@H](C)CO ZINC000289394689 172037750 /nfs/dbraw/zinc/03/77/50/172037750.db2.gz FMWJNYQBFNAZNY-MRVPVSSYSA-N 1 2 245.754 1.449 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)[C@H](C)CO ZINC000289394689 172037752 /nfs/dbraw/zinc/03/77/52/172037752.db2.gz FMWJNYQBFNAZNY-MRVPVSSYSA-N 1 2 245.754 1.449 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@@H](C)c1nccn1C ZINC000124394113 172042292 /nfs/dbraw/zinc/04/22/92/172042292.db2.gz IDVJNDQUXUBMBT-JTQLQIEISA-N 1 2 247.346 1.567 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CCOC)o1 ZINC000111204858 172064944 /nfs/dbraw/zinc/06/49/44/172064944.db2.gz VITWQKYSUMLQDP-MRVPVSSYSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CCOC)o1 ZINC000111204858 172064945 /nfs/dbraw/zinc/06/49/45/172064945.db2.gz VITWQKYSUMLQDP-MRVPVSSYSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cnn(C)c2)s1 ZINC000336780586 172051619 /nfs/dbraw/zinc/05/16/19/172051619.db2.gz RSQILJGQFQELIN-UHFFFAOYSA-N 1 2 237.332 1.124 20 0 BDADLO CCc1nnc(CNc2cc[nH+]c(C(C)C)n2)o1 ZINC000353862073 172052415 /nfs/dbraw/zinc/05/24/15/172052415.db2.gz RCZORBFOICVEQW-UHFFFAOYSA-N 1 2 247.302 1.579 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@H](C)O)o1 ZINC000361506020 172064485 /nfs/dbraw/zinc/06/44/85/172064485.db2.gz ZQORMFWIAYCUAM-JGVFFNPUSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@H](C)O)o1 ZINC000361506020 172064487 /nfs/dbraw/zinc/06/44/87/172064487.db2.gz ZQORMFWIAYCUAM-JGVFFNPUSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](OC)C2)o1 ZINC000361372292 172065424 /nfs/dbraw/zinc/06/54/24/172065424.db2.gz MGWIBOLAAAJFHV-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](OC)C2)o1 ZINC000361372292 172065427 /nfs/dbraw/zinc/06/54/27/172065427.db2.gz MGWIBOLAAAJFHV-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000264585143 172084418 /nfs/dbraw/zinc/08/44/18/172084418.db2.gz DGZBEBPXNGBMGP-UHFFFAOYSA-N 1 2 203.245 1.926 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CCOC)n1 ZINC000077408912 172089997 /nfs/dbraw/zinc/08/99/97/172089997.db2.gz UEMWXKJZOJCFPK-QMMMGPOBSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CCOC)n1 ZINC000077408912 172090000 /nfs/dbraw/zinc/09/00/00/172090000.db2.gz UEMWXKJZOJCFPK-QMMMGPOBSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CCn2cccn2)n1 ZINC000111279852 172090059 /nfs/dbraw/zinc/09/00/59/172090059.db2.gz KHFQIXAUJKCSRD-JTQLQIEISA-N 1 2 249.318 1.522 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CCn2cccn2)n1 ZINC000111279852 172090063 /nfs/dbraw/zinc/09/00/63/172090063.db2.gz KHFQIXAUJKCSRD-JTQLQIEISA-N 1 2 249.318 1.522 20 0 BDADLO CCc1noc([C@H](C)[NH2+]CCn2cccn2)n1 ZINC000105931774 172091772 /nfs/dbraw/zinc/09/17/72/172091772.db2.gz CCTYSCYOUJUYQV-VIFPVBQESA-N 1 2 235.291 1.179 20 0 BDADLO CCc1nocc1CN(C)c1cc[nH+]c(C)n1 ZINC000292720038 172094328 /nfs/dbraw/zinc/09/43/28/172094328.db2.gz HJHUNVWEWJINOM-UHFFFAOYSA-N 1 2 232.287 1.972 20 0 BDADLO CCc1nocc1CN(C)Cc1c[nH+]cn1C ZINC000293518529 172095365 /nfs/dbraw/zinc/09/53/65/172095365.db2.gz VUQXHWYJTJKBDR-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO CCc1nocc1C[NH2+]Cc1snnc1C ZINC000339409401 172101687 /nfs/dbraw/zinc/10/16/87/172101687.db2.gz MCFXNXVTDFWVNG-UHFFFAOYSA-N 1 2 238.316 1.687 20 0 BDADLO CCc1nsc(N2CCn3cc(C)[nH+]c3C2)n1 ZINC000371702924 172104719 /nfs/dbraw/zinc/10/47/19/172104719.db2.gz HBWJMYNHIUMGLP-UHFFFAOYSA-N 1 2 249.343 1.626 20 0 BDADLO CCc1nsc(NCc2[nH+]ccn2CC)n1 ZINC000294913942 172106279 /nfs/dbraw/zinc/10/62/79/172106279.db2.gz FZVPLIDQPZUWFW-UHFFFAOYSA-N 1 2 237.332 1.929 20 0 BDADLO CCc1onc(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000092100343 172125566 /nfs/dbraw/zinc/12/55/66/172125566.db2.gz WUDXOSHJSYTSLC-UHFFFAOYSA-N 1 2 249.274 1.590 20 0 BDADLO CCn1cc(C(=O)Nc2c[nH+]ccc2OC)cn1 ZINC000114255172 172157159 /nfs/dbraw/zinc/15/71/59/172157159.db2.gz RIKILKLJJZYLSJ-UHFFFAOYSA-N 1 2 246.270 1.559 20 0 BDADLO CCn1cc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000265078792 172163741 /nfs/dbraw/zinc/16/37/41/172163741.db2.gz QXGWAEVRBIMTOR-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000179860941 172164650 /nfs/dbraw/zinc/16/46/50/172164650.db2.gz XDNBLMZHRLFSRW-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000179860941 172164652 /nfs/dbraw/zinc/16/46/52/172164652.db2.gz XDNBLMZHRLFSRW-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)cn1 ZINC000353311419 172194881 /nfs/dbraw/zinc/19/48/81/172194881.db2.gz ZWRJFRJDVFJGOS-ZJUUUORDSA-N 1 2 248.334 1.443 20 0 BDADLO CCn1cc[nH+]c1CN(C)CC(F)F ZINC000103487416 172218065 /nfs/dbraw/zinc/21/80/65/172218065.db2.gz YGTOMBODNGEGLO-UHFFFAOYSA-N 1 2 203.236 1.600 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccc(F)nc1 ZINC000297193684 172221535 /nfs/dbraw/zinc/22/15/35/172221535.db2.gz LZEUOLXLPCHEAD-UHFFFAOYSA-N 1 2 248.261 1.367 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ncccc1C ZINC000295742528 172221564 /nfs/dbraw/zinc/22/15/64/172221564.db2.gz MQCYQNPRZCOLEQ-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO CCn1cc[nH+]c1CN1CCn2cc(C)nc2C1 ZINC000374697468 172221708 /nfs/dbraw/zinc/22/17/08/172221708.db2.gz GJHYLVQOYCJYHC-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)OC(C)(C)C ZINC000295260785 172222025 /nfs/dbraw/zinc/22/20/25/172222025.db2.gz DEFJCIZPGMSZTB-UHFFFAOYSA-N 1 2 225.292 1.928 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC(C)(C)C ZINC000297987517 172222614 /nfs/dbraw/zinc/22/26/14/172222614.db2.gz CHBJLDDCEPGNQX-UHFFFAOYSA-N 1 2 224.308 1.501 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC1(C)C ZINC000295574585 172222999 /nfs/dbraw/zinc/22/29/99/172222999.db2.gz GNACCGVXPVODLG-VIFPVBQESA-N 1 2 221.304 1.565 20 0 BDADLO CCn1cc[nH+]c1CNc1cccc(C(N)=O)c1 ZINC000051921058 172226342 /nfs/dbraw/zinc/22/63/42/172226342.db2.gz KCXLCRGLRNLXOR-UHFFFAOYSA-N 1 2 244.298 1.614 20 0 BDADLO CCn1nc(C)c(CNc2ccc(CO)c[nH+]2)n1 ZINC000296647357 172247451 /nfs/dbraw/zinc/24/74/51/172247451.db2.gz CVZZRPLARULUJV-UHFFFAOYSA-N 1 2 247.302 1.106 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cccn1C ZINC000129337782 172263911 /nfs/dbraw/zinc/26/39/11/172263911.db2.gz YLRDNRZHKUNRRK-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cccn1C ZINC000129337782 172263912 /nfs/dbraw/zinc/26/39/12/172263912.db2.gz YLRDNRZHKUNRRK-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cnoc1C ZINC000352368924 172264921 /nfs/dbraw/zinc/26/49/21/172264921.db2.gz LUJQJGQOLFHYMB-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cnoc1C ZINC000352368924 172264923 /nfs/dbraw/zinc/26/49/23/172264923.db2.gz LUJQJGQOLFHYMB-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1ncnc1CN(C)CCCn1cc[nH+]c1 ZINC000193456810 172279341 /nfs/dbraw/zinc/27/93/41/172279341.db2.gz NDFBZNDEYVKVLY-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO CN(C(=O)CCc1c[nH+]cn1C)c1cccnc1 ZINC000355973063 172306756 /nfs/dbraw/zinc/30/67/56/172306756.db2.gz UJJPBDBKPOISHV-UHFFFAOYSA-N 1 2 244.298 1.411 20 0 BDADLO CN(C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000329319424 172308332 /nfs/dbraw/zinc/30/83/32/172308332.db2.gz REIHAMHUBYQVLR-LLVKDONJSA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1)C1CC1 ZINC000329319424 172308335 /nfs/dbraw/zinc/30/83/35/172308335.db2.gz REIHAMHUBYQVLR-LLVKDONJSA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ncc[nH]1)C1CC1 ZINC000329319424 172308337 /nfs/dbraw/zinc/30/83/37/172308337.db2.gz REIHAMHUBYQVLR-LLVKDONJSA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000336374231 172331979 /nfs/dbraw/zinc/33/19/79/172331979.db2.gz ULWYOAOFWAIKLT-SNVBAGLBSA-N 1 2 240.253 1.647 20 0 BDADLO CN(C(=O)c1ccc2[nH+]ccn2c1)C1CCC1 ZINC000172700765 172341533 /nfs/dbraw/zinc/34/15/33/172341533.db2.gz FMZPSIYNPJUENF-UHFFFAOYSA-N 1 2 229.283 1.959 20 0 BDADLO CN(C)C(=O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000270555328 172364298 /nfs/dbraw/zinc/36/42/98/172364298.db2.gz HOIAIRSONCOWBZ-UHFFFAOYSA-N 1 2 232.287 1.087 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1c1ccccc1F ZINC000374031195 172365048 /nfs/dbraw/zinc/36/50/48/172365048.db2.gz IVJNEFBVDNCABE-LBPRGKRZSA-N 1 2 236.290 1.661 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC[C@H]1c1ccccc1F ZINC000374031195 172365050 /nfs/dbraw/zinc/36/50/50/172365050.db2.gz IVJNEFBVDNCABE-LBPRGKRZSA-N 1 2 236.290 1.661 20 0 BDADLO CN(Cc1ccon1)c1cc[nH+]c(C2CC2)n1 ZINC000265767978 172908888 /nfs/dbraw/zinc/90/88/88/172908888.db2.gz CDLPEHHPUFTCSJ-UHFFFAOYSA-N 1 2 230.271 1.978 20 0 BDADLO CN1CC[N@H+](C/C=C/c2ccc(F)cc2)CC1=O ZINC000127377582 173075577 /nfs/dbraw/zinc/07/55/77/173075577.db2.gz MOPPYPBQVBOUCR-NSCUHMNNSA-N 1 2 248.301 1.613 20 0 BDADLO CN1CC[N@@H+](C/C=C/c2ccc(F)cc2)CC1=O ZINC000127377582 173075578 /nfs/dbraw/zinc/07/55/78/173075578.db2.gz MOPPYPBQVBOUCR-NSCUHMNNSA-N 1 2 248.301 1.613 20 0 BDADLO CN1CC[N@H+](Cc2ccsc2)CC1=O ZINC000127408034 173091362 /nfs/dbraw/zinc/09/13/62/173091362.db2.gz NWRIEASCDKCDSH-UHFFFAOYSA-N 1 2 210.302 1.022 20 0 BDADLO CN1CC[N@@H+](Cc2ccsc2)CC1=O ZINC000127408034 173091364 /nfs/dbraw/zinc/09/13/64/173091364.db2.gz NWRIEASCDKCDSH-UHFFFAOYSA-N 1 2 210.302 1.022 20 0 BDADLO CNC(=O)CCN(C)c1cc[nH+]c2ccncc21 ZINC000267919516 173251654 /nfs/dbraw/zinc/25/16/54/173251654.db2.gz COXXYNPZIPZETJ-UHFFFAOYSA-N 1 2 244.298 1.202 20 0 BDADLO CNC(=O)CCNc1cc[nH+]c(C(C)C)n1 ZINC000301241153 173262190 /nfs/dbraw/zinc/26/21/90/173262190.db2.gz MKDHRCWQWDSNQC-UHFFFAOYSA-N 1 2 222.292 1.148 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccccc1OC1CC1 ZINC000295435547 173270018 /nfs/dbraw/zinc/27/00/18/173270018.db2.gz GALMNSSOXDRXMS-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000295435547 173270021 /nfs/dbraw/zinc/27/00/21/173270021.db2.gz GALMNSSOXDRXMS-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374539885 173274999 /nfs/dbraw/zinc/27/49/99/173274999.db2.gz VDNDKLBSBRYDEP-ZDUSSCGKSA-N 1 2 236.290 1.303 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374539885 173275000 /nfs/dbraw/zinc/27/50/00/173275000.db2.gz VDNDKLBSBRYDEP-ZDUSSCGKSA-N 1 2 236.290 1.303 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000074448619 173275107 /nfs/dbraw/zinc/27/51/07/173275107.db2.gz IQYIZAZDWOKDQB-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO CNC(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000074448619 173275108 /nfs/dbraw/zinc/27/51/08/173275108.db2.gz IQYIZAZDWOKDQB-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000067228467 173275351 /nfs/dbraw/zinc/27/53/51/173275351.db2.gz ZNKPFPXMGHMHIN-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000067228467 173275352 /nfs/dbraw/zinc/27/53/52/173275352.db2.gz ZNKPFPXMGHMHIN-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000298712260 173281489 /nfs/dbraw/zinc/28/14/89/173281489.db2.gz VZUJIZNYPCOOBR-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)C[C@@H](C)[NH2+]c1ccc(N(C)C)cc1C ZINC000298712260 173281490 /nfs/dbraw/zinc/28/14/90/173281490.db2.gz VZUJIZNYPCOOBR-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccno1 ZINC000274816755 173826026 /nfs/dbraw/zinc/82/60/26/173826026.db2.gz AOTPQEGNHBRHBM-MWLCHTKSSA-N 1 2 238.287 1.448 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccno1 ZINC000274816755 173826027 /nfs/dbraw/zinc/82/60/27/173826027.db2.gz AOTPQEGNHBRHBM-MWLCHTKSSA-N 1 2 238.287 1.448 20 0 BDADLO COC(=O)c1ccccc1CC[NH+]1CCOCC1 ZINC000186459402 173897819 /nfs/dbraw/zinc/89/78/19/173897819.db2.gz KCJMKKRGJHEVSS-UHFFFAOYSA-N 1 2 249.310 1.348 20 0 BDADLO COCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082276423 174041869 /nfs/dbraw/zinc/04/18/69/174041869.db2.gz JOKHDMFVHJUQSM-SECBINFHSA-N 1 2 223.276 1.110 20 0 BDADLO COCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000373704791 174058205 /nfs/dbraw/zinc/05/82/05/174058205.db2.gz GHWSREFSJNGCLK-UHFFFAOYSA-N 1 2 245.282 1.970 20 0 BDADLO COCC(C)(C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000293612981 174069998 /nfs/dbraw/zinc/06/99/98/174069998.db2.gz DGGFWSNGLOITIX-UHFFFAOYSA-N 1 2 239.319 1.049 20 0 BDADLO COCC(C)(C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000293612981 174070000 /nfs/dbraw/zinc/07/00/00/174070000.db2.gz DGGFWSNGLOITIX-UHFFFAOYSA-N 1 2 239.319 1.049 20 0 BDADLO COCC1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000352937049 174086633 /nfs/dbraw/zinc/08/66/33/174086633.db2.gz OZOZAHJVJUEQHQ-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO COCC1(C)CC[NH+](Cc2noc(C)n2)CC1 ZINC000408097203 174092650 /nfs/dbraw/zinc/09/26/50/174092650.db2.gz KKQBTNCQVAZYLB-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO COCC1(O)C[NH+](Cc2cc3ccccc3o2)C1 ZINC000297385939 174113393 /nfs/dbraw/zinc/11/33/93/174113393.db2.gz JYZPQPCABDBWHE-UHFFFAOYSA-N 1 2 247.294 1.626 20 0 BDADLO COCCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000264725290 174132338 /nfs/dbraw/zinc/13/23/38/174132338.db2.gz HFMNLWPYCTYNSM-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO COCCC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000273757513 174140004 /nfs/dbraw/zinc/14/00/04/174140004.db2.gz XUROHZZTWLGGOC-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO COCCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000110308153 174220948 /nfs/dbraw/zinc/22/09/48/174220948.db2.gz GYBJQDBVEHWRNO-UHFFFAOYSA-N 1 2 221.304 1.827 20 0 BDADLO COCCCN(C)c1nc[nH+]c(N)c1Cl ZINC000227848916 174222136 /nfs/dbraw/zinc/22/21/36/174222136.db2.gz QEIMXZKAFJUVAQ-UHFFFAOYSA-N 1 2 230.699 1.185 20 0 BDADLO COCCCN(C)c1[nH+]cnc(N)c1Cl ZINC000227848916 174222142 /nfs/dbraw/zinc/22/21/42/174222142.db2.gz QEIMXZKAFJUVAQ-UHFFFAOYSA-N 1 2 230.699 1.185 20 0 BDADLO COCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275888924 174248931 /nfs/dbraw/zinc/24/89/31/174248931.db2.gz RRYJDSGMVBIWKI-LBPRGKRZSA-N 1 2 246.314 1.520 20 0 BDADLO COCCCOCC[N@H+](C)Cc1nccs1 ZINC000091101638 174254679 /nfs/dbraw/zinc/25/46/79/174254679.db2.gz MJXVNKKBXAPKJM-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1nccs1 ZINC000091101638 174254681 /nfs/dbraw/zinc/25/46/81/174254681.db2.gz MJXVNKKBXAPKJM-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO COCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000117874035 174282146 /nfs/dbraw/zinc/28/21/46/174282146.db2.gz IJZUAUROXWSPDG-LBPRGKRZSA-N 1 2 237.299 1.479 20 0 BDADLO COCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000117874035 174282147 /nfs/dbraw/zinc/28/21/47/174282147.db2.gz IJZUAUROXWSPDG-LBPRGKRZSA-N 1 2 237.299 1.479 20 0 BDADLO COCC[N@H+](CCO)Cc1ccncc1Cl ZINC000128347454 174294981 /nfs/dbraw/zinc/29/49/81/174294981.db2.gz LHJCFRDMNJAPBY-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO COCC[N@@H+](CCO)Cc1ccncc1Cl ZINC000128347454 174294983 /nfs/dbraw/zinc/29/49/83/174294983.db2.gz LHJCFRDMNJAPBY-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847961 174311725 /nfs/dbraw/zinc/31/17/25/174311725.db2.gz MYOISROSUQSLRC-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847961 174311726 /nfs/dbraw/zinc/31/17/26/174311726.db2.gz MYOISROSUQSLRC-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO COCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000353333602 174329370 /nfs/dbraw/zinc/32/93/70/174329370.db2.gz GQSVFXHDYQSGAU-UHFFFAOYSA-N 1 2 247.298 1.258 20 0 BDADLO COCCOC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000116885693 174344275 /nfs/dbraw/zinc/34/42/75/174344275.db2.gz IXEVFCFCIINHBU-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO COCCOCCSc1nc(N)cc(C)[nH+]1 ZINC000080302799 174360407 /nfs/dbraw/zinc/36/04/07/174360407.db2.gz AFUOLGVEEVYCRI-UHFFFAOYSA-N 1 2 243.332 1.122 20 0 BDADLO COCC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccco1 ZINC000280322824 174393617 /nfs/dbraw/zinc/39/36/17/174393617.db2.gz YQRDHZASVPPGSL-LLVKDONJSA-N 1 2 235.287 1.870 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccco1 ZINC000291189834 174398637 /nfs/dbraw/zinc/39/86/37/174398637.db2.gz GMAPATLNXNFTKP-LLVKDONJSA-N 1 2 225.288 1.517 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1ccco1 ZINC000291189834 174398639 /nfs/dbraw/zinc/39/86/39/174398639.db2.gz GMAPATLNXNFTKP-LLVKDONJSA-N 1 2 225.288 1.517 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1C/C=C/Cl ZINC000368292384 174398689 /nfs/dbraw/zinc/39/86/89/174398689.db2.gz UIPZRZIVGVLEFH-XCRNYIDWSA-N 1 2 219.712 1.476 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1C/C=C/Cl ZINC000368292384 174398691 /nfs/dbraw/zinc/39/86/91/174398691.db2.gz UIPZRZIVGVLEFH-XCRNYIDWSA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ncc(C)cn1 ZINC000339292632 174515571 /nfs/dbraw/zinc/51/55/71/174515571.db2.gz ZZUIKBLKBIJZMN-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ncc(C)cn1 ZINC000339292632 174515572 /nfs/dbraw/zinc/51/55/72/174515572.db2.gz ZZUIKBLKBIJZMN-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000170819938 174745705 /nfs/dbraw/zinc/74/57/05/174745705.db2.gz QHPPZPRBBPRYMX-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000170819938 174745706 /nfs/dbraw/zinc/74/57/06/174745706.db2.gz QHPPZPRBBPRYMX-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000353126774 175061551 /nfs/dbraw/zinc/06/15/51/175061551.db2.gz KADUZOHENFMWSZ-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1ccc(C[NH+]2CCSCC2)nn1 ZINC000283396497 175101686 /nfs/dbraw/zinc/10/16/86/175101686.db2.gz DNYRCYNQGMYILJ-UHFFFAOYSA-N 1 2 225.317 1.034 20 0 BDADLO COc1ccc(C[NH2+]Cc2nccn2C)cn1 ZINC000051921260 175108018 /nfs/dbraw/zinc/10/80/18/175108018.db2.gz FZMMADKBZKQKHO-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc[nH]2)c(OC)c1 ZINC000067667627 175108112 /nfs/dbraw/zinc/10/81/12/175108112.db2.gz OSYYYMHSBZBFLF-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO COc1ccc(OC)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000041014488 175165147 /nfs/dbraw/zinc/16/51/47/175165147.db2.gz RABZBWVKHXTTRL-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2nnc[nH]2)cc1 ZINC000037919311 175189814 /nfs/dbraw/zinc/18/98/14/175189814.db2.gz YQLTWHVPABDQNH-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1cccc(CC[NH+]2CCC(=O)CC2)c1 ZINC000041260679 175252224 /nfs/dbraw/zinc/25/22/24/175252224.db2.gz PYYSTTPHHKYANU-UHFFFAOYSA-N 1 2 233.311 1.903 20 0 BDADLO COc1cccc(OCC[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368336987 175283177 /nfs/dbraw/zinc/28/31/77/175283177.db2.gz RWNLWUPWDVZGSW-KGLIPLIRSA-N 1 2 249.310 1.547 20 0 BDADLO COc1cccc(OCC[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368336987 175283178 /nfs/dbraw/zinc/28/31/78/175283178.db2.gz RWNLWUPWDVZGSW-KGLIPLIRSA-N 1 2 249.310 1.547 20 0 BDADLO COc1cccc([C@@H](C)[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000336297769 175286440 /nfs/dbraw/zinc/28/64/40/175286440.db2.gz KBAGWOXFJJMMBJ-WDEREUQCSA-N 1 2 248.326 1.577 20 0 BDADLO COc1cccc([C@@H](C)[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000336297769 175286441 /nfs/dbraw/zinc/28/64/41/175286441.db2.gz KBAGWOXFJJMMBJ-WDEREUQCSA-N 1 2 248.326 1.577 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2ncnn2C)c1 ZINC000148280949 175287958 /nfs/dbraw/zinc/28/79/58/175287958.db2.gz YNDWWLNSNSCGAP-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2nnnn2C)c1 ZINC000341202001 175293052 /nfs/dbraw/zinc/29/30/52/175293052.db2.gz APPNCKFKAJUEFB-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccccc1C[N@@H+]1CCn2ccnc2C1 ZINC000353003183 175327026 /nfs/dbraw/zinc/32/70/26/175327026.db2.gz KTPQDWXLPRUBAE-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO COc1ccccc1C[N@H+]1CCn2ccnc2C1 ZINC000353003183 175327028 /nfs/dbraw/zinc/32/70/28/175327028.db2.gz KTPQDWXLPRUBAE-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC000293039453 175351919 /nfs/dbraw/zinc/35/19/19/175351919.db2.gz DXAARMZUXZTODG-VIFPVBQESA-N 1 2 246.314 1.973 20 0 BDADLO COc1cc[nH+]c(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000106859312 175360539 /nfs/dbraw/zinc/36/05/39/175360539.db2.gz QIRUUYMJAVMJJN-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000106859312 175360540 /nfs/dbraw/zinc/36/05/40/175360540.db2.gz QIRUUYMJAVMJJN-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(NCc2c[nH+]ccc2OC)n1 ZINC000292847910 175365262 /nfs/dbraw/zinc/36/52/62/175365262.db2.gz VVFMZWPUVHMEPT-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC1CCC1 ZINC000292622047 175369833 /nfs/dbraw/zinc/36/98/33/175369833.db2.gz IVHUCQRTPAXUPU-UHFFFAOYSA-N 1 2 235.287 1.442 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C(C)(C)C ZINC000294723864 175370151 /nfs/dbraw/zinc/37/01/51/175370151.db2.gz WVHOZAQDYBMZHX-UHFFFAOYSA-N 1 2 222.288 1.753 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1C[C@H](C)[C@H]1C ZINC000297590310 175370534 /nfs/dbraw/zinc/37/05/34/175370534.db2.gz CZOICNNGSGOFCG-VHSXEESVSA-N 1 2 249.314 1.640 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H](C)C1CC1 ZINC000294609479 175372060 /nfs/dbraw/zinc/37/20/60/175372060.db2.gz NUPIRAWGOWVACD-SECBINFHSA-N 1 2 234.299 1.753 20 0 BDADLO COc1cc[nH+]cc1COc1cnn(C)c1 ZINC000288704099 175373612 /nfs/dbraw/zinc/37/36/12/175373612.db2.gz UXAGFLQNYJJSSF-UHFFFAOYSA-N 1 2 219.244 1.403 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000289979292 175385992 /nfs/dbraw/zinc/38/59/92/175385992.db2.gz QKSCXJVOQICGQQ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cncc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000289979292 175385993 /nfs/dbraw/zinc/38/59/93/175385993.db2.gz QKSCXJVOQICGQQ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CS[C@@H](CO)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000078296314 175546804 /nfs/dbraw/zinc/54/68/04/175546804.db2.gz FHIDNEUYWLOPBG-APPZFPTMSA-N 1 2 227.333 1.309 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccnc1 ZINC000331801028 175915605 /nfs/dbraw/zinc/91/56/05/175915605.db2.gz JMEALVUUTRRYLF-ZYHUDNBSSA-N 1 2 243.314 1.859 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558488 176030062 /nfs/dbraw/zinc/03/00/62/176030062.db2.gz PPGJGASVMVYNKH-JQWIXIFHSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558488 176030063 /nfs/dbraw/zinc/03/00/63/176030063.db2.gz PPGJGASVMVYNKH-JQWIXIFHSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330991920 176030700 /nfs/dbraw/zinc/03/07/00/176030700.db2.gz SONWRYRZHGIAQJ-SCVCMEIPSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330991920 176030702 /nfs/dbraw/zinc/03/07/02/176030702.db2.gz SONWRYRZHGIAQJ-SCVCMEIPSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(N)=O)CC1 ZINC000184868032 176035244 /nfs/dbraw/zinc/03/52/44/176035244.db2.gz CEBDROCXCPWVCC-VIFPVBQESA-N 1 2 239.344 1.505 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290953665 176055929 /nfs/dbraw/zinc/05/59/29/176055929.db2.gz QJMQZQYNVOXIDE-LAPSENCUSA-N 1 2 245.326 1.972 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000280568459 176128990 /nfs/dbraw/zinc/12/89/90/176128990.db2.gz QXESVKOXTBFKLL-PWSUYJOCSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000360568099 176148024 /nfs/dbraw/zinc/14/80/24/176148024.db2.gz JJRUTZBYYGEDFP-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000284453579 176153631 /nfs/dbraw/zinc/15/36/31/176153631.db2.gz REPAGHOPYVCHSH-YHROSDCASA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000279708851 176155889 /nfs/dbraw/zinc/15/58/89/176155889.db2.gz ANVQXJLSJOWEOF-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H]1C ZINC000176949172 176158099 /nfs/dbraw/zinc/15/80/99/176158099.db2.gz URHQCCNLVIDTON-GHMZBOCLSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000282196055 176184672 /nfs/dbraw/zinc/18/46/72/176184672.db2.gz CFZLXVZHSFHDCM-PELKAZGASA-N 1 2 249.314 1.166 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2nccn2C)O1 ZINC000276419076 176201892 /nfs/dbraw/zinc/20/18/92/176201892.db2.gz NOELGZWCQGLLPR-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2nccn2C)O1 ZINC000276419076 176201894 /nfs/dbraw/zinc/20/18/94/176201894.db2.gz NOELGZWCQGLLPR-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000129627697 176222828 /nfs/dbraw/zinc/22/28/28/176222828.db2.gz FHNAZGPHBREOTM-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2nccn2C)O1 ZINC000276419074 176223614 /nfs/dbraw/zinc/22/36/14/176223614.db2.gz NOELGZWCQGLLPR-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2nccn2C)O1 ZINC000276419074 176223617 /nfs/dbraw/zinc/22/36/17/176223617.db2.gz NOELGZWCQGLLPR-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2cc[nH]n2)O1 ZINC000336691554 176224521 /nfs/dbraw/zinc/22/45/21/176224521.db2.gz MYXMTCLDKJPANR-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cc[nH]n2)O1 ZINC000336691554 176224523 /nfs/dbraw/zinc/22/45/23/176224523.db2.gz MYXMTCLDKJPANR-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000335603027 176235711 /nfs/dbraw/zinc/23/57/11/176235711.db2.gz GIIFJBVNFWKWNG-PSASIEDQSA-N 1 2 203.289 1.986 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1C ZINC000293868670 176241366 /nfs/dbraw/zinc/24/13/66/176241366.db2.gz ARMKTJGPMBBLCG-HUGTUPKYSA-N 1 2 205.261 1.290 20 0 BDADLO C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353663274 176270366 /nfs/dbraw/zinc/27/03/66/176270366.db2.gz UEBMNZBGPLWAAI-IJLUTSLNSA-N 1 2 248.374 1.197 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)[C@H](C)CO1 ZINC000092017323 176310357 /nfs/dbraw/zinc/31/03/57/176310357.db2.gz UWGTUBQIBVQNNQ-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CC[S@@]1=O ZINC000359867322 176300433 /nfs/dbraw/zinc/30/04/33/176300433.db2.gz BSRMBGOLVVAMQJ-UVWXRNBGSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)O2)CC[S@@]1=O ZINC000359867322 176300435 /nfs/dbraw/zinc/30/04/35/176300435.db2.gz BSRMBGOLVVAMQJ-UVWXRNBGSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000308848466 176302005 /nfs/dbraw/zinc/30/20/05/176302005.db2.gz QHVDYEUBTVXGEG-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000308848466 176302007 /nfs/dbraw/zinc/30/20/07/176302007.db2.gz QHVDYEUBTVXGEG-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)[C@H](C)CO1 ZINC000299668234 176306961 /nfs/dbraw/zinc/30/69/61/176306961.db2.gz RPHKWMWFIDNJJT-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)[C@H](C)CO1 ZINC000299668234 176306963 /nfs/dbraw/zinc/30/69/63/176306963.db2.gz RPHKWMWFIDNJJT-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccco2)CC[S@@](=O)C1 ZINC000277567833 176308173 /nfs/dbraw/zinc/30/81/73/176308173.db2.gz SJSFQXUVBQDCMC-MEBBXXQBSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccco2)CC[S@@](=O)C1 ZINC000277567833 176308175 /nfs/dbraw/zinc/30/81/75/176308175.db2.gz SJSFQXUVBQDCMC-MEBBXXQBSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)[C@H](C)CO1 ZINC000092017323 176310356 /nfs/dbraw/zinc/31/03/56/176310356.db2.gz UWGTUBQIBVQNNQ-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccs2)CCCO1 ZINC000179208900 176312167 /nfs/dbraw/zinc/31/21/67/176312167.db2.gz MXUZAHRMPOTTDN-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccs2)CCCO1 ZINC000179208900 176312170 /nfs/dbraw/zinc/31/21/70/176312170.db2.gz MXUZAHRMPOTTDN-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](C)C1 ZINC000299079506 176318371 /nfs/dbraw/zinc/31/83/71/176318371.db2.gz XQCGCDGAOBTHJG-GHMZBOCLSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](C)C1 ZINC000299079506 176318373 /nfs/dbraw/zinc/31/83/73/176318373.db2.gz XQCGCDGAOBTHJG-GHMZBOCLSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1CO ZINC000189614348 176321211 /nfs/dbraw/zinc/32/12/11/176321211.db2.gz PXSXVERVJSMFJQ-MNOVXSKESA-N 1 2 245.326 1.638 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000053931635 176336298 /nfs/dbraw/zinc/33/62/98/176336298.db2.gz SJCLDDQZYZSRGX-GFCCVEGCSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCC(=O)c1ccccc1 ZINC000053931635 176336300 /nfs/dbraw/zinc/33/63/00/176336300.db2.gz SJCLDDQZYZSRGX-GFCCVEGCSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(N)=O ZINC000369181522 176348442 /nfs/dbraw/zinc/34/84/42/176348442.db2.gz ZWCFNCMLVOSNDC-GYSYKLTISA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC(N)=O ZINC000369181522 176348443 /nfs/dbraw/zinc/34/84/43/176348443.db2.gz ZWCFNCMLVOSNDC-GYSYKLTISA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000290934415 176364688 /nfs/dbraw/zinc/36/46/88/176364688.db2.gz NDOQHXUFCCIAJT-FOGDFJRCSA-N 1 2 249.314 1.039 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccn1C(F)F ZINC000336168862 176382206 /nfs/dbraw/zinc/38/22/06/176382206.db2.gz DOWKRLAEOKQWTI-HTQZYQBOSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccn1C(F)F ZINC000336168862 176382208 /nfs/dbraw/zinc/38/22/08/176382208.db2.gz DOWKRLAEOKQWTI-HTQZYQBOSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cccc[nH+]2)CC1=O ZINC000374168576 176398787 /nfs/dbraw/zinc/39/87/87/176398787.db2.gz YRBXTEGMHCLSLZ-VWYCJHECSA-N 1 2 231.299 1.503 20 0 BDADLO C[C@@H](Sc1[nH+]cnc2[nH]ccc21)[C@H](C)O ZINC000266228945 177007010 /nfs/dbraw/zinc/00/70/10/177007010.db2.gz SQTBTMZZJKKSHE-NKWVEPMBSA-N 1 2 223.301 1.819 20 0 BDADLO C[C@H](O)[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000162690670 177009701 /nfs/dbraw/zinc/00/97/01/177009701.db2.gz RRDAOMWLZOGXQX-WDEREUQCSA-N 1 2 245.326 1.780 20 0 BDADLO C[C@H](c1c(F)cccc1F)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278802626 177031855 /nfs/dbraw/zinc/03/18/55/177031855.db2.gz OSNMHTIKTGIXAA-AVPPRXQKSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558492 177045785 /nfs/dbraw/zinc/04/57/85/177045785.db2.gz PPGJGASVMVYNKH-ZYHUDNBSSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558492 177045788 /nfs/dbraw/zinc/04/57/88/177045788.db2.gz PPGJGASVMVYNKH-ZYHUDNBSSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[NH+]1CCCCC1 ZINC000290174402 177053098 /nfs/dbraw/zinc/05/30/98/177053098.db2.gz YPHIZRPOLJDVKZ-SSDOTTSWSA-N 1 2 241.726 1.654 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364318698 177053200 /nfs/dbraw/zinc/05/32/00/177053200.db2.gz RLSIRQXFYOLUIK-PSASIEDQSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364318698 177053203 /nfs/dbraw/zinc/05/32/03/177053203.db2.gz RLSIRQXFYOLUIK-PSASIEDQSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000280476879 177057197 /nfs/dbraw/zinc/05/71/97/177057197.db2.gz IVHHGLYNUYOQPJ-BDAKNGLRSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000280124626 177057216 /nfs/dbraw/zinc/05/72/16/177057216.db2.gz CRWSZHGAKITGIW-GHMZBOCLSA-N 1 2 249.314 1.005 20 0 BDADLO C[C@H]1C(=O)N(C)CCN1c1[nH]c2ccccc2[nH+]1 ZINC000302489731 177057615 /nfs/dbraw/zinc/05/76/15/177057615.db2.gz ZFJRMQRFGVTSIY-VIFPVBQESA-N 1 2 244.298 1.230 20 0 BDADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cnoc1C1CC1 ZINC000365099459 177058580 /nfs/dbraw/zinc/05/85/80/177058580.db2.gz MEZVCFIMQHPNOF-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cnoc1C1CC1 ZINC000365099459 177058581 /nfs/dbraw/zinc/05/85/81/177058581.db2.gz MEZVCFIMQHPNOF-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO C[C@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000043311750 177073129 /nfs/dbraw/zinc/07/31/29/177073129.db2.gz SDYQJFKWAAFYFT-NSHDSACASA-N 1 2 236.319 1.467 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000287794111 177091666 /nfs/dbraw/zinc/09/16/66/177091666.db2.gz WDXWIAZLYGASAE-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000363212733 177094235 /nfs/dbraw/zinc/09/42/35/177094235.db2.gz XSKIYQXXFSQRMW-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H]1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336292242 177138938 /nfs/dbraw/zinc/13/89/38/177138938.db2.gz ULRAQKPEKIGCQU-CMPLNLGQSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@H]1CCC[C@]1(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293980846 177144288 /nfs/dbraw/zinc/14/42/88/177144288.db2.gz CAMSFAXWANVMDB-OXRXFNFQSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@H]1CC[N@H+](CC2(O)CCC2)CC1(F)F ZINC000335834010 177158717 /nfs/dbraw/zinc/15/87/17/177158717.db2.gz HHCAZRQKQSUEAZ-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO C[C@H]1CC[N@@H+](CC2(O)CCC2)CC1(F)F ZINC000335834010 177158718 /nfs/dbraw/zinc/15/87/18/177158718.db2.gz HHCAZRQKQSUEAZ-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000331903261 177164228 /nfs/dbraw/zinc/16/42/28/177164228.db2.gz QMUNLBYZQAPDIJ-UWVGGRQHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000331903261 177164229 /nfs/dbraw/zinc/16/42/29/177164229.db2.gz QMUNLBYZQAPDIJ-UWVGGRQHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)[C@@H]1CO ZINC000332661612 177167266 /nfs/dbraw/zinc/16/72/66/177167266.db2.gz OBUUEKGWCXHXLN-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)[C@@H]1CO ZINC000332661612 177167268 /nfs/dbraw/zinc/16/72/68/177167268.db2.gz OBUUEKGWCXHXLN-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000268236163 177188267 /nfs/dbraw/zinc/18/82/67/177188267.db2.gz BZUIYRSKUXXMKB-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339169690 177192238 /nfs/dbraw/zinc/19/22/38/177192238.db2.gz YLBNZLZGDGNNLZ-WDEREUQCSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000356794995 177192422 /nfs/dbraw/zinc/19/24/22/177192422.db2.gz DFFNQYRUDJBCBS-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2ccon2)O1 ZINC000276539473 177201191 /nfs/dbraw/zinc/20/11/91/177201191.db2.gz YWIWYRIRKTVOLI-GXSJLCMTSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccon2)O1 ZINC000276539473 177201192 /nfs/dbraw/zinc/20/11/92/177201192.db2.gz YWIWYRIRKTVOLI-GXSJLCMTSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC000337938682 177203545 /nfs/dbraw/zinc/20/35/45/177203545.db2.gz UNFQXFGDHARCFI-UWVGGRQHSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000294054635 177216660 /nfs/dbraw/zinc/21/66/60/177216660.db2.gz KRWDTUDIXLNCAA-VHSXEESVSA-N 1 2 207.277 1.140 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228260 177276133 /nfs/dbraw/zinc/27/61/33/177276133.db2.gz OFTZEGHTUSNPTE-ZANVPECISA-N 1 2 248.301 1.633 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228260 177276134 /nfs/dbraw/zinc/27/61/34/177276134.db2.gz OFTZEGHTUSNPTE-ZANVPECISA-N 1 2 248.301 1.633 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349767 177276773 /nfs/dbraw/zinc/27/67/73/177276773.db2.gz HHPJUWWIYGIKJZ-JQWIXIFHSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349767 177276774 /nfs/dbraw/zinc/27/67/74/177276774.db2.gz HHPJUWWIYGIKJZ-JQWIXIFHSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000378283413 177289398 /nfs/dbraw/zinc/28/93/98/177289398.db2.gz MPWSIMUHWFHNBL-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000378283413 177289400 /nfs/dbraw/zinc/28/94/00/177289400.db2.gz MPWSIMUHWFHNBL-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCC1CC1 ZINC000359949710 177291065 /nfs/dbraw/zinc/29/10/65/177291065.db2.gz NMYWCGJMEHBXTJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCC1CC1 ZINC000359949710 177291067 /nfs/dbraw/zinc/29/10/67/177291067.db2.gz NMYWCGJMEHBXTJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCCN1c1[nH+]c2ccccc2n1C ZINC000270565741 177293362 /nfs/dbraw/zinc/29/33/62/177293362.db2.gz LLATUZFOTICKNR-JTQLQIEISA-N 1 2 231.299 1.798 20 0 BDADLO CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000674866297 487637858 /nfs/dbraw/zinc/63/78/58/487637858.db2.gz MSQLVEYRNMCYJT-OKILXGFUSA-N 1 2 248.326 1.844 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000337860560 177319915 /nfs/dbraw/zinc/31/99/15/177319915.db2.gz ITZOFKUAZIKYFN-DTWKUNHWSA-N 1 2 231.303 1.598 20 0 BDADLO CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000674866297 487637862 /nfs/dbraw/zinc/63/78/62/487637862.db2.gz MSQLVEYRNMCYJT-OKILXGFUSA-N 1 2 248.326 1.844 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284496721 177328232 /nfs/dbraw/zinc/32/82/32/177328232.db2.gz URLXSMYMYXZGFP-AQHVTNBVSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)c2nccn21 ZINC000345359086 177333963 /nfs/dbraw/zinc/33/39/63/177333963.db2.gz WZOKZMUQZSRIFJ-GXSJLCMTSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@@H](NCc2ccn(C)n2)c2[nH+]ccn21 ZINC000345359086 177333964 /nfs/dbraw/zinc/33/39/64/177333964.db2.gz WZOKZMUQZSRIFJ-GXSJLCMTSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000352769753 177342083 /nfs/dbraw/zinc/34/20/83/177342083.db2.gz KIVFUIANKGFYSP-CMPLNLGQSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000047597715 177344212 /nfs/dbraw/zinc/34/42/12/177344212.db2.gz AWTAZCLAYZRACV-WDEREUQCSA-N 1 2 236.319 1.228 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000366727312 177351594 /nfs/dbraw/zinc/35/15/94/177351594.db2.gz AHUFAPQRIGQMEV-QWRGUYRKSA-N 1 2 248.326 1.791 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2n[nH]c(=O)[nH]2)[C@@H](C)C1 ZINC000336777187 177355746 /nfs/dbraw/zinc/35/57/46/177355746.db2.gz HPQRRWKDNDWELG-VGMNWLOBSA-N 1 2 224.308 1.425 20 0 BDADLO C[C@H]1C[C@H](C)[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336690400 177359409 /nfs/dbraw/zinc/35/94/09/177359409.db2.gz AWORITVOSAVJCK-IUCAKERBSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@H]1C[C@H](C)[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336690400 177359411 /nfs/dbraw/zinc/35/94/11/177359411.db2.gz AWORITVOSAVJCK-IUCAKERBSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnc2n1CCCCC2 ZINC000336460579 177360737 /nfs/dbraw/zinc/36/07/37/177360737.db2.gz CNOSAPGWCOBUCH-QWRGUYRKSA-N 1 2 234.347 1.987 20 0 BDADLO C[C@H]1C[C@H](NC(=O)NCC2CCC2)c2[nH+]ccn21 ZINC000333810626 177367085 /nfs/dbraw/zinc/36/70/85/177367085.db2.gz HXPSVQDSACFDOP-ONGXEEELSA-N 1 2 248.330 1.988 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365510024 177376211 /nfs/dbraw/zinc/37/62/11/177376211.db2.gz BLGWAAMNRDRIAK-CYZMBNFOSA-N 1 2 246.310 1.717 20 0 BDADLO C[C@H]1OCCN(Cc2[nH+]ccn2C)[C@@H]1C ZINC000178585635 177398923 /nfs/dbraw/zinc/39/89/23/177398923.db2.gz YYGYTEPEVJWBPR-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO COCCN(CCOC)c1cc[nH+]cc1F ZINC000678786090 487643118 /nfs/dbraw/zinc/64/31/18/487643118.db2.gz ABXRGGVFASTISG-UHFFFAOYSA-N 1 2 228.267 1.320 20 0 BDADLO C[C@H]1C[C@H](C)[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000488428138 225395272 /nfs/dbraw/zinc/39/52/72/225395272.db2.gz VMFDLPJHMSOREY-IUCAKERBSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@H]1C[C@H](C)[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000488428138 225395274 /nfs/dbraw/zinc/39/52/74/225395274.db2.gz VMFDLPJHMSOREY-IUCAKERBSA-N 1 2 244.289 1.774 20 0 BDADLO CO[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000492810389 226057128 /nfs/dbraw/zinc/05/71/28/226057128.db2.gz IEOAWTTUHSLWHI-OIFMLDNNSA-N 1 2 249.314 1.449 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1CCCO ZINC000492815507 226060087 /nfs/dbraw/zinc/06/00/87/226060087.db2.gz XJIQLDFFGYBJFZ-FJOGCWAESA-N 1 2 249.314 1.186 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccccc1 ZINC000492856864 226068033 /nfs/dbraw/zinc/06/80/33/226068033.db2.gz CMAZREZKNSGKIE-VOTSOKGWSA-N 1 2 241.294 1.782 20 0 BDADLO Cn1cccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902274 226080143 /nfs/dbraw/zinc/08/01/43/226080143.db2.gz QPFZMNVVAGVFPP-SNAWJCMRSA-N 1 2 230.271 1.078 20 0 BDADLO CSC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492905184 226081180 /nfs/dbraw/zinc/08/11/80/226081180.db2.gz YXWLDQRIKWFOQU-PLNGDYQASA-N 1 2 239.344 1.681 20 0 BDADLO C[C@]1(F)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493322077 226185043 /nfs/dbraw/zinc/18/50/43/226185043.db2.gz NZUJISZWNLWSMV-MVZIDQBPSA-N 1 2 237.278 1.774 20 0 BDADLO C[C@@H]1CSCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493068254 226117221 /nfs/dbraw/zinc/11/72/21/226117221.db2.gz CRVCITIYXJYTHJ-PKRMOACSSA-N 1 2 237.328 1.387 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493102453 226127313 /nfs/dbraw/zinc/12/73/13/226127313.db2.gz FGKMGKBFVBJCBQ-AATRIKPKSA-N 1 2 207.277 1.680 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC(CC(F)F)C1 ZINC000493114467 226131124 /nfs/dbraw/zinc/13/11/24/226131124.db2.gz HGLSJQXMUDVKEU-OWOJBTEDSA-N 1 2 241.241 1.537 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(CC(F)F)C1 ZINC000493194069 226152115 /nfs/dbraw/zinc/15/21/15/226152115.db2.gz YOJILUNMKBEKHY-OWOJBTEDSA-N 1 2 241.241 1.537 20 0 BDADLO C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493205896 226155438 /nfs/dbraw/zinc/15/54/38/226155438.db2.gz WLKSUFDEGAQGFT-LDYOUVJNSA-N 1 2 219.288 1.537 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CC=CCC1 ZINC000493263537 226170033 /nfs/dbraw/zinc/17/00/33/226170033.db2.gz UMNZHPTWSBHUCL-JMEBYUIHSA-N 1 2 231.299 1.895 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\C1CCOCC1 ZINC000493284384 226174814 /nfs/dbraw/zinc/17/48/14/226174814.db2.gz IRBSRVYRQMBJSC-IHWYPQMZSA-N 1 2 249.314 1.019 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCOC1 ZINC000493367558 226197305 /nfs/dbraw/zinc/19/73/05/226197305.db2.gz KCWGIXPQWQPHNQ-DLRQAJBASA-N 1 2 249.314 1.356 20 0 BDADLO COCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493452868 226220949 /nfs/dbraw/zinc/22/09/49/226220949.db2.gz FEMLFVJIIOXXQH-IHWYPQMZSA-N 1 2 249.314 1.308 20 0 BDADLO CN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@@H]1CC1(C)C ZINC000493545047 226241621 /nfs/dbraw/zinc/24/16/21/226241621.db2.gz CMRNADRKSAQCSA-XRVBUDJMSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000493688100 226249509 /nfs/dbraw/zinc/24/95/09/226249509.db2.gz HVEGYARQWQEMES-AAOUONPWSA-N 1 2 235.287 1.108 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc[nH]1 ZINC000493718431 226250758 /nfs/dbraw/zinc/25/07/58/226250758.db2.gz HBPDWSSBBGZFIP-SNAWJCMRSA-N 1 2 230.271 1.078 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)O1 ZINC000493729447 226251548 /nfs/dbraw/zinc/25/15/48/226251548.db2.gz UMESKZDAJSTDKM-NUNSBDKSSA-N 1 2 235.287 1.107 20 0 BDADLO O=C(/C=C\c1cncs1)NCCn1cc[nH+]c1 ZINC000493781909 226253755 /nfs/dbraw/zinc/25/37/55/226253755.db2.gz GFICBXPRLALUAN-UPHRSURJSA-N 1 2 248.311 1.169 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2nncn2C)c(C)n1 ZINC000494784200 226269656 /nfs/dbraw/zinc/26/96/56/226269656.db2.gz JUVRKLNNWAGTNO-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000507371283 226368687 /nfs/dbraw/zinc/36/86/87/226368687.db2.gz ZBUCMQIKQVNLPX-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000507371283 226368688 /nfs/dbraw/zinc/36/86/88/226368688.db2.gz ZBUCMQIKQVNLPX-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC000665866785 487649674 /nfs/dbraw/zinc/64/96/74/487649674.db2.gz ZUZBPLNVMVHBKV-VXGBXAGGSA-N 1 2 247.342 1.925 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000665866171 487650686 /nfs/dbraw/zinc/65/06/86/487650686.db2.gz DWOQBZXVIUOZRA-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000665866171 487650690 /nfs/dbraw/zinc/65/06/90/487650690.db2.gz DWOQBZXVIUOZRA-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1F ZINC000680864081 487660109 /nfs/dbraw/zinc/66/01/09/487660109.db2.gz DPDAIEFTHJCMPJ-CSMHCCOUSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]1F ZINC000680864081 487660112 /nfs/dbraw/zinc/66/01/12/487660112.db2.gz DPDAIEFTHJCMPJ-CSMHCCOUSA-N 1 2 229.217 1.590 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665060541 487660709 /nfs/dbraw/zinc/66/07/09/487660709.db2.gz XCLDVNCEPAALBT-OPRDCNLKSA-N 1 2 221.304 1.438 20 0 BDADLO C[C@H](CF)NC(=O)NCCCCn1cc[nH+]c1 ZINC000672753133 487663583 /nfs/dbraw/zinc/66/35/83/487663583.db2.gz UHFMIGXGHFWXTR-SNVBAGLBSA-N 1 2 242.298 1.321 20 0 BDADLO CCc1cc(N[C@@H](C)c2ccn(C)n2)nc[nH+]1 ZINC000665739672 487672066 /nfs/dbraw/zinc/67/20/66/487672066.db2.gz UIGBSRNKJYTXHH-VIFPVBQESA-N 1 2 231.303 1.946 20 0 BDADLO CO[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000308379339 229231239 /nfs/dbraw/zinc/23/12/39/229231239.db2.gz VJCKKVFWTJYERI-MNOVXSKESA-N 1 2 221.304 1.457 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N2CCCC2)cn1 ZINC000680931320 487673825 /nfs/dbraw/zinc/67/38/25/487673825.db2.gz QIWVQESAUKAKAI-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCCC2)cn1 ZINC000680931320 487673828 /nfs/dbraw/zinc/67/38/28/487673828.db2.gz QIWVQESAUKAKAI-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCOC1CC(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000671688763 487692650 /nfs/dbraw/zinc/69/26/50/487692650.db2.gz KGHKUMSTPGYXHO-YVNMAJEFSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1CC(C[N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000671688763 487692655 /nfs/dbraw/zinc/69/26/55/487692655.db2.gz KGHKUMSTPGYXHO-YVNMAJEFSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)CC(=O)N1CCCC1 ZINC000681018627 487696101 /nfs/dbraw/zinc/69/61/01/487696101.db2.gz HKMYGJUFUIPGKX-NSHDSACASA-N 1 2 248.330 1.092 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000681018627 487696103 /nfs/dbraw/zinc/69/61/03/487696103.db2.gz HKMYGJUFUIPGKX-NSHDSACASA-N 1 2 248.330 1.092 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@@]1(C)C(C)C ZINC000397255902 262920278 /nfs/dbraw/zinc/92/02/78/262920278.db2.gz DDUDHBVMNJOTES-UFBFGSQYSA-N 1 2 236.319 1.914 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@@]1(C)C(C)C ZINC000397255902 262920279 /nfs/dbraw/zinc/92/02/79/262920279.db2.gz DDUDHBVMNJOTES-UFBFGSQYSA-N 1 2 236.319 1.914 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCO ZINC000671708939 487702851 /nfs/dbraw/zinc/70/28/51/487702851.db2.gz JYYLWNJBUBAZRN-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCO ZINC000671708939 487702859 /nfs/dbraw/zinc/70/28/59/487702859.db2.gz JYYLWNJBUBAZRN-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCCO ZINC000671715234 487704108 /nfs/dbraw/zinc/70/41/08/487704108.db2.gz SZSLXZQJFVALJW-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCCO ZINC000671715234 487704115 /nfs/dbraw/zinc/70/41/15/487704115.db2.gz SZSLXZQJFVALJW-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccc(O)c(F)c1 ZINC000681042752 487704752 /nfs/dbraw/zinc/70/47/52/487704752.db2.gz CDGFSNOKOVXOBC-UHFFFAOYSA-N 1 2 246.241 1.909 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651240136 487706165 /nfs/dbraw/zinc/70/61/65/487706165.db2.gz SEOPZCIJJZTOEL-MWLCHTKSSA-N 1 2 233.315 1.287 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1occ2c1CCC2 ZINC000671720085 487706695 /nfs/dbraw/zinc/70/66/95/487706695.db2.gz QLZGJOXCNNJSSA-UHFFFAOYSA-N 1 2 231.255 1.421 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc(N)[nH+]1 ZINC000631165576 487719869 /nfs/dbraw/zinc/71/98/69/487719869.db2.gz NXPHHKGKDVQMKV-AEJSXWLSSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)[nH+]1 ZINC000631165576 487719871 /nfs/dbraw/zinc/71/98/71/487719871.db2.gz NXPHHKGKDVQMKV-AEJSXWLSSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nnc(CC(=O)Nc2cc[nH+]cc2C)s1 ZINC000668419446 487720631 /nfs/dbraw/zinc/72/06/31/487720631.db2.gz CUDVDSVDUKYHAE-UHFFFAOYSA-N 1 2 248.311 1.153 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000668419847 487722316 /nfs/dbraw/zinc/72/23/16/487722316.db2.gz NQQKOKQWCYCNRZ-ZWNOBZJWSA-N 1 2 248.326 1.956 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cnc(C2CC2)nc1 ZINC000668422099 487726517 /nfs/dbraw/zinc/72/65/17/487726517.db2.gz PZYFAAXGQRLQPN-UHFFFAOYSA-N 1 2 243.314 1.709 20 0 BDADLO CC[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665688637 487730598 /nfs/dbraw/zinc/73/05/98/487730598.db2.gz ZZWXIJQRUWPOBR-ZETCQYMHSA-N 1 2 208.265 1.491 20 0 BDADLO CC[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665688637 487730602 /nfs/dbraw/zinc/73/06/02/487730602.db2.gz ZZWXIJQRUWPOBR-ZETCQYMHSA-N 1 2 208.265 1.491 20 0 BDADLO C[C@@H]1C[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665697916 487733042 /nfs/dbraw/zinc/73/30/42/487733042.db2.gz KWLOEMQYHPFFRN-RQJHMYQMSA-N 1 2 206.249 1.101 20 0 BDADLO C[C@@H]1C[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665697916 487733048 /nfs/dbraw/zinc/73/30/48/487733048.db2.gz KWLOEMQYHPFFRN-RQJHMYQMSA-N 1 2 206.249 1.101 20 0 BDADLO CC(C)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000665695656 487733286 /nfs/dbraw/zinc/73/32/86/487733286.db2.gz AVGWQLXZJVULCB-UHFFFAOYSA-N 1 2 222.292 1.373 20 0 BDADLO CC(C)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000665695656 487733289 /nfs/dbraw/zinc/73/32/89/487733289.db2.gz AVGWQLXZJVULCB-UHFFFAOYSA-N 1 2 222.292 1.373 20 0 BDADLO c1nc(N[C@@H]2CCSC2)c2c([nH+]1)NCCO2 ZINC000665703401 487734144 /nfs/dbraw/zinc/73/41/44/487734144.db2.gz SPJNIRKDWKEZLN-SSDOTTSWSA-N 1 2 238.316 1.198 20 0 BDADLO c1nc2c(c(N[C@@H]3CCSC3)[nH+]1)OCCN2 ZINC000665703401 487734147 /nfs/dbraw/zinc/73/41/47/487734147.db2.gz SPJNIRKDWKEZLN-SSDOTTSWSA-N 1 2 238.316 1.198 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665720287 487734886 /nfs/dbraw/zinc/73/48/86/487734886.db2.gz XDYGUWDEDUHIQL-SFYZADRCSA-N 1 2 238.291 1.116 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665720287 487734890 /nfs/dbraw/zinc/73/48/90/487734890.db2.gz XDYGUWDEDUHIQL-SFYZADRCSA-N 1 2 238.291 1.116 20 0 BDADLO CCN(c1cc(C)[nH+]cn1)[C@@H]1CCCOC1 ZINC000651415853 487736828 /nfs/dbraw/zinc/73/68/28/487736828.db2.gz PKJNMJMYNAENDJ-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CCc1nnc(C[N@H+](C)CCOC(C)(C)C)[nH]1 ZINC000681209322 487748947 /nfs/dbraw/zinc/74/89/47/487748947.db2.gz HDUDROPOIZBLSH-UHFFFAOYSA-N 1 2 240.351 1.614 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCOC(C)(C)C)[nH]1 ZINC000681209322 487748951 /nfs/dbraw/zinc/74/89/51/487748951.db2.gz HDUDROPOIZBLSH-UHFFFAOYSA-N 1 2 240.351 1.614 20 0 BDADLO C[C@@H]1CC(C)(C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665750740 487758707 /nfs/dbraw/zinc/75/87/07/487758707.db2.gz QXKFYMKFLPBPLK-SECBINFHSA-N 1 2 248.330 1.906 20 0 BDADLO C[C@@H]1CC(C)(C)CN1c1[nH+]cnc2c1OCCN2 ZINC000665750740 487758719 /nfs/dbraw/zinc/75/87/19/487758719.db2.gz QXKFYMKFLPBPLK-SECBINFHSA-N 1 2 248.330 1.906 20 0 BDADLO CO[C@@H](COCc1[nH]cc[nH+]1)CC(C)C ZINC000668919227 487760021 /nfs/dbraw/zinc/76/00/21/487760021.db2.gz WDHVNJYUOMRZQD-SNVBAGLBSA-N 1 2 212.293 1.987 20 0 BDADLO CC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000751470468 585231054 /nfs/dbraw/zinc/23/10/54/585231054.db2.gz LEDYTMJQCUKVQZ-JTQLQIEISA-N 1 2 217.334 1.029 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668923622 487766643 /nfs/dbraw/zinc/76/66/43/487766643.db2.gz CSNLVBUJYIXHFC-QWRGUYRKSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668923622 487766649 /nfs/dbraw/zinc/76/66/49/487766649.db2.gz CSNLVBUJYIXHFC-QWRGUYRKSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1(O)CCC1 ZINC000681274710 487767604 /nfs/dbraw/zinc/76/76/04/487767604.db2.gz SCBFEQGVAYFMCU-UHFFFAOYSA-N 1 2 231.255 1.188 20 0 BDADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccsc1 ZINC000555140003 487770078 /nfs/dbraw/zinc/77/00/78/487770078.db2.gz MFZCNGZZTPVYKU-UHFFFAOYSA-N 1 2 229.286 1.272 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000111246859 487772145 /nfs/dbraw/zinc/77/21/45/487772145.db2.gz CUFYOQZVFFMBSP-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO CC(C)[N@H+](Cc1cc2n(n1)CCCC2)C1COC1 ZINC000649619425 487774437 /nfs/dbraw/zinc/77/44/37/487774437.db2.gz MMDWQRGKOIQZQY-UHFFFAOYSA-N 1 2 249.358 1.829 20 0 BDADLO CC(C)[N@@H+](Cc1cc2n(n1)CCCC2)C1COC1 ZINC000649619425 487774440 /nfs/dbraw/zinc/77/44/40/487774440.db2.gz MMDWQRGKOIQZQY-UHFFFAOYSA-N 1 2 249.358 1.829 20 0 BDADLO CC[N@H+](CCF)[C@H](C)CS(=O)(=O)CC ZINC000759341092 585368965 /nfs/dbraw/zinc/36/89/65/585368965.db2.gz CODWXSHPKDBANM-SECBINFHSA-N 1 2 225.329 1.101 20 0 BDADLO CC[N@@H+](CCF)[C@H](C)CS(=O)(=O)CC ZINC000759341092 585368966 /nfs/dbraw/zinc/36/89/66/585368966.db2.gz CODWXSHPKDBANM-SECBINFHSA-N 1 2 225.329 1.101 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@H]2C[C@H]21)n1cc[nH+]c1 ZINC000652096148 487777811 /nfs/dbraw/zinc/77/78/11/487777811.db2.gz YRSMNWPJEIXKDZ-GRYCIOLGSA-N 1 2 233.315 1.845 20 0 BDADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)c(C)[nH]1 ZINC000681344036 487780518 /nfs/dbraw/zinc/78/05/18/487780518.db2.gz FPDLNOSUFXLRDP-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO CC[NH+](CC)CCNC(=O)C(F)C(F)(F)F ZINC000763876621 585455775 /nfs/dbraw/zinc/45/57/75/585455775.db2.gz VRZPYTVJBBSCLM-SSDOTTSWSA-N 1 2 244.232 1.345 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356128 487782748 /nfs/dbraw/zinc/78/27/48/487782748.db2.gz KSTXSKSLXHWRGZ-GHMZBOCLSA-N 1 2 247.342 1.800 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000678266168 487784137 /nfs/dbraw/zinc/78/41/37/487784137.db2.gz AYZCDMUNHDSEIH-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678266168 487784142 /nfs/dbraw/zinc/78/41/42/487784142.db2.gz AYZCDMUNHDSEIH-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679221703 487785033 /nfs/dbraw/zinc/78/50/33/487785033.db2.gz HAWBLTKCOMYMOK-SRVKXCTJSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679221703 487785036 /nfs/dbraw/zinc/78/50/36/487785036.db2.gz HAWBLTKCOMYMOK-SRVKXCTJSA-N 1 2 244.354 1.827 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679223479 487786087 /nfs/dbraw/zinc/78/60/87/487786087.db2.gz PYZBILMJESIHPJ-NEPJUHHUSA-N 1 2 244.354 1.973 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679223479 487786089 /nfs/dbraw/zinc/78/60/89/487786089.db2.gz PYZBILMJESIHPJ-NEPJUHHUSA-N 1 2 244.354 1.973 20 0 BDADLO C[C@@H]1C[N@H+](CCCF)C[C@@H](C(F)(F)F)O1 ZINC000675892281 487787910 /nfs/dbraw/zinc/78/79/10/487787910.db2.gz OIODNLXUDIWLLB-SFYZADRCSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1C[N@@H+](CCCF)C[C@@H](C(F)(F)F)O1 ZINC000675892281 487787912 /nfs/dbraw/zinc/78/79/12/487787912.db2.gz OIODNLXUDIWLLB-SFYZADRCSA-N 1 2 229.217 1.998 20 0 BDADLO CCC[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000047597564 487793640 /nfs/dbraw/zinc/79/36/40/487793640.db2.gz URGICTRVNZYASN-NSHDSACASA-N 1 2 238.335 1.761 20 0 BDADLO CO[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000684210592 487794659 /nfs/dbraw/zinc/79/46/59/487794659.db2.gz LVFDCTZVIVJGKC-GFCCVEGCSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC1(C)C)C2 ZINC000681513822 487808701 /nfs/dbraw/zinc/80/87/01/487808701.db2.gz GHCZLYJQHVQPQY-BXKDBHETSA-N 1 2 247.342 1.738 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC1(C)C)CC2 ZINC000681513822 487808703 /nfs/dbraw/zinc/80/87/03/487808703.db2.gz GHCZLYJQHVQPQY-BXKDBHETSA-N 1 2 247.342 1.738 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@@H](O)C1CC1 ZINC000674314103 487815600 /nfs/dbraw/zinc/81/56/00/487815600.db2.gz VYWQYNWZQMUNGQ-SNVBAGLBSA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@@H](O)C1CC1 ZINC000674314103 487815605 /nfs/dbraw/zinc/81/56/05/487815605.db2.gz VYWQYNWZQMUNGQ-SNVBAGLBSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)c1ccncc1 ZINC000676156880 487816612 /nfs/dbraw/zinc/81/66/12/487816612.db2.gz KYBGGFSBVSFUNR-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccncc1 ZINC000676156880 487816617 /nfs/dbraw/zinc/81/66/17/487816617.db2.gz KYBGGFSBVSFUNR-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000669427164 487818066 /nfs/dbraw/zinc/81/80/66/487818066.db2.gz VYNDDCBMVJLHAF-ZOFUNIGCSA-N 1 2 209.293 1.282 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](CO)C1CCC1 ZINC000666493679 487820456 /nfs/dbraw/zinc/82/04/56/487820456.db2.gz MDQQOZDWJBBLAO-LBPRGKRZSA-N 1 2 249.314 1.094 20 0 BDADLO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000229115752 487820509 /nfs/dbraw/zinc/82/05/09/487820509.db2.gz GVPMMMJGMYCJJE-BDAKNGLRSA-N 1 2 241.360 1.708 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)no1 ZINC000681606231 487824643 /nfs/dbraw/zinc/82/46/43/487824643.db2.gz YNYNGBMPFDVBKO-LLVKDONJSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)no1 ZINC000681606231 487824646 /nfs/dbraw/zinc/82/46/46/487824646.db2.gz YNYNGBMPFDVBKO-LLVKDONJSA-N 1 2 233.275 1.022 20 0 BDADLO NC(=[NH+]OCCCCCF)[C@@H]1CCCO1 ZINC000789611327 585946722 /nfs/dbraw/zinc/94/67/22/585946722.db2.gz RCXOMHJJVMJBKV-VIFPVBQESA-N 1 2 218.272 1.804 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]O[C@@H]1CCOC1 ZINC000794521529 586041667 /nfs/dbraw/zinc/04/16/67/586041667.db2.gz MYIQSZYXTNULJP-MRVPVSSYSA-N 1 2 216.281 1.089 20 0 BDADLO O=C(CCCF)N1CC(Oc2cc[nH+]cc2)C1 ZINC000668085017 487829421 /nfs/dbraw/zinc/82/94/21/487829421.db2.gz BJGRTGMSJCCMFC-UHFFFAOYSA-N 1 2 238.262 1.421 20 0 BDADLO COc1cc[nH+]cc1CSCCOCCO ZINC000558105928 322946054 /nfs/dbraw/zinc/94/60/54/322946054.db2.gz YZMOUUWXJKNBQM-UHFFFAOYSA-N 1 2 243.328 1.332 20 0 BDADLO CC(C)(NC(=O)CCCn1cc[nH+]c1)C(F)F ZINC000684341238 487836617 /nfs/dbraw/zinc/83/66/17/487836617.db2.gz INDNTMOYTBFVLP-UHFFFAOYSA-N 1 2 245.273 1.823 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000676323088 487836900 /nfs/dbraw/zinc/83/69/00/487836900.db2.gz QMLOXQAOBCHRKB-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000676323088 487836903 /nfs/dbraw/zinc/83/69/03/487836903.db2.gz QMLOXQAOBCHRKB-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO CCONC(=O)C[NH2+]CC(CC)(CC)CC ZINC000846090965 588256269 /nfs/dbraw/zinc/25/62/69/588256269.db2.gz GVIDWNPVOCVIRQ-UHFFFAOYSA-N 1 2 230.352 1.860 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000573084692 322949420 /nfs/dbraw/zinc/94/94/20/322949420.db2.gz QNGLRBAWQUMHPQ-YPMHNXCESA-N 1 2 249.358 1.905 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000681698998 487842895 /nfs/dbraw/zinc/84/28/95/487842895.db2.gz QBNGSBKEILPZBM-CHWSQXEVSA-N 1 2 245.326 1.812 20 0 BDADLO Cc1cc(C(F)(F)F)c[nH+]c1NCCO ZINC000865399159 589432334 /nfs/dbraw/zinc/43/23/34/589432334.db2.gz IRJLTGIJWPQJAI-UHFFFAOYSA-N 1 2 220.194 1.813 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877715201 590398057 /nfs/dbraw/zinc/39/80/57/590398057.db2.gz BBQKAIVQZZQJSH-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877715201 590398059 /nfs/dbraw/zinc/39/80/59/590398059.db2.gz BBQKAIVQZZQJSH-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000878698476 590610834 /nfs/dbraw/zinc/61/08/34/590610834.db2.gz ZTSFJGGTXSHZJY-UHFFFAOYSA-N 1 2 230.308 1.032 20 0 BDADLO CC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000878698476 590610835 /nfs/dbraw/zinc/61/08/35/590610835.db2.gz ZTSFJGGTXSHZJY-UHFFFAOYSA-N 1 2 230.308 1.032 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493719697 529238170 /nfs/dbraw/zinc/23/81/70/529238170.db2.gz ITXZVEPRJNBUOL-QEBMPYFUSA-N 1 2 221.304 1.974 20 0 BDADLO CCc1cc(N[C@H]2CCCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000676412867 487848442 /nfs/dbraw/zinc/84/84/42/487848442.db2.gz CRMUTUDMHARONV-QWRGUYRKSA-N 1 2 248.330 1.495 20 0 BDADLO Cc1cn2ccc(NC(=O)NCCCO)cc2[nH+]1 ZINC000668150384 487852015 /nfs/dbraw/zinc/85/20/15/487852015.db2.gz YGTXWGBSHIWPKK-UHFFFAOYSA-N 1 2 248.286 1.147 20 0 BDADLO CCN(C(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000558644936 322952925 /nfs/dbraw/zinc/95/29/25/322952925.db2.gz CWQBWNSNZFMAMO-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO Cc1[nH+]cccc1NC[C@H]1CNc2ccnn2C1 ZINC000676494791 487856854 /nfs/dbraw/zinc/85/68/54/487856854.db2.gz KAJSBPKXVHOZSH-NSHDSACASA-N 1 2 243.314 1.740 20 0 BDADLO O=C(Nc1nncs1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666727066 487866069 /nfs/dbraw/zinc/86/60/69/487866069.db2.gz UYEOUOKICDYHJU-LURJTMIESA-N 1 2 249.299 1.005 20 0 BDADLO O=C(Nc1nncs1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666727066 487866072 /nfs/dbraw/zinc/86/60/72/487866072.db2.gz UYEOUOKICDYHJU-LURJTMIESA-N 1 2 249.299 1.005 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000676549029 487871642 /nfs/dbraw/zinc/87/16/42/487871642.db2.gz SUDAFIZVMHFABC-RKDXNWHRSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000676549029 487871646 /nfs/dbraw/zinc/87/16/46/487871646.db2.gz SUDAFIZVMHFABC-RKDXNWHRSA-N 1 2 237.290 1.095 20 0 BDADLO COC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000234777932 487876441 /nfs/dbraw/zinc/87/64/41/487876441.db2.gz GTWPKERZIHQPAL-GFCCVEGCSA-N 1 2 236.315 1.437 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000682034329 487886717 /nfs/dbraw/zinc/88/67/17/487886717.db2.gz XIICXTDMESKBKM-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCCOC1 ZINC000682034329 487886722 /nfs/dbraw/zinc/88/67/22/487886722.db2.gz XIICXTDMESKBKM-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO CCc1cc(N[C@H](C)C(=O)NC(C)C)nc[nH+]1 ZINC000229197399 487889856 /nfs/dbraw/zinc/88/98/56/487889856.db2.gz KOIWFOJXTVVJOM-SECBINFHSA-N 1 2 236.319 1.364 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000669615986 487892346 /nfs/dbraw/zinc/89/23/46/487892346.db2.gz RFWOVSBXVAWLFA-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000676695345 487893632 /nfs/dbraw/zinc/89/36/32/487893632.db2.gz LUPWPDZQVFPHRC-PWSUYJOCSA-N 1 2 247.342 1.608 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000668535541 487898002 /nfs/dbraw/zinc/89/80/02/487898002.db2.gz HUSIRLIUGGSWAF-JTQLQIEISA-N 1 2 247.298 1.540 20 0 BDADLO CCCc1noc(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000676713822 487902158 /nfs/dbraw/zinc/90/21/58/487902158.db2.gz SBSKVSJFWFOMJT-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000676713822 487902161 /nfs/dbraw/zinc/90/21/61/487902161.db2.gz SBSKVSJFWFOMJT-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)CO1 ZINC000682202472 487926336 /nfs/dbraw/zinc/92/63/36/487926336.db2.gz NYBSVOIWOVONFA-NXEZZACHSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000676792321 487929509 /nfs/dbraw/zinc/92/95/09/487929509.db2.gz BCGUOYDZBCTONT-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000676792321 487929514 /nfs/dbraw/zinc/92/95/14/487929514.db2.gz BCGUOYDZBCTONT-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO C[C@@H](C(=O)Nc1cnoc1)[NH+]1CCSCC1 ZINC000676842676 487936611 /nfs/dbraw/zinc/93/66/11/487936611.db2.gz CVCSOQMUPCQSJL-QMMMGPOBSA-N 1 2 241.316 1.050 20 0 BDADLO Oc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000669621233 487940677 /nfs/dbraw/zinc/94/06/77/487940677.db2.gz NQXHGFIYHGRKBV-CQSZACIVSA-N 1 2 249.310 1.384 20 0 BDADLO Oc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000669621233 487940682 /nfs/dbraw/zinc/94/06/82/487940682.db2.gz NQXHGFIYHGRKBV-CQSZACIVSA-N 1 2 249.310 1.384 20 0 BDADLO CCc1cc(NC[C@@H](C)c2nncn2C)nc[nH+]1 ZINC000684589149 487943487 /nfs/dbraw/zinc/94/34/87/487943487.db2.gz GAPUYPICWGOYJF-SECBINFHSA-N 1 2 246.318 1.383 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CC12CC2)n1cc[nH+]c1 ZINC000652466586 487952486 /nfs/dbraw/zinc/95/24/86/487952486.db2.gz YQVLMELHYAQPTC-ZJUUUORDSA-N 1 2 219.288 1.503 20 0 BDADLO Cc1noc(C)c1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000665916857 487953366 /nfs/dbraw/zinc/95/33/66/487953366.db2.gz MWIGOEQIBBSWCA-UHFFFAOYSA-N 1 2 249.274 1.678 20 0 BDADLO Cc1noc(C)c1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000665916857 487953369 /nfs/dbraw/zinc/95/33/69/487953369.db2.gz MWIGOEQIBBSWCA-UHFFFAOYSA-N 1 2 249.274 1.678 20 0 BDADLO Cc1ncoc1C(=O)NCCCCn1cc[nH+]c1 ZINC000531098848 322976279 /nfs/dbraw/zinc/97/62/79/322976279.db2.gz WCMUVJFBCAXFRU-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO O=C1COc2ccc(CNc3c[nH]c[nH+]3)cc2N1 ZINC000560509540 322988899 /nfs/dbraw/zinc/98/88/99/322988899.db2.gz UBPFMBVNLGHAKK-UHFFFAOYSA-N 1 2 244.254 1.353 20 0 BDADLO O=C(C[C@H]1CCOC1)Nc1ccn2cc[nH+]c2c1 ZINC000560667138 322991347 /nfs/dbraw/zinc/99/13/47/322991347.db2.gz XNJQXNLFGVXPJW-SNVBAGLBSA-N 1 2 245.282 1.699 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCCF ZINC000120406536 322992198 /nfs/dbraw/zinc/99/21/98/322992198.db2.gz FVYIUDKXMOCGCR-UHFFFAOYSA-N 1 2 211.240 1.871 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000561144327 322995919 /nfs/dbraw/zinc/99/59/19/322995919.db2.gz FKWMEACDVZJAEL-OUAUKWLOSA-N 1 2 233.315 1.218 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C(=O)OCC ZINC000097988534 323000785 /nfs/dbraw/zinc/00/07/85/323000785.db2.gz XKCDYNNMPYYYKA-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N(C)C)c2[nH+]ccn21 ZINC000566492253 323002541 /nfs/dbraw/zinc/00/25/41/323002541.db2.gz MTIPQAUOGIIRDI-SFYZADRCSA-N 1 2 208.265 1.160 20 0 BDADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000564719000 323006007 /nfs/dbraw/zinc/00/60/07/323006007.db2.gz WPDHSNUYJZPFLY-SNVBAGLBSA-N 1 2 249.351 1.245 20 0 BDADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000564719000 323006008 /nfs/dbraw/zinc/00/60/08/323006008.db2.gz WPDHSNUYJZPFLY-SNVBAGLBSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)[C@H](C)C1 ZINC000398346155 323010590 /nfs/dbraw/zinc/01/05/90/323010590.db2.gz XGRFXAKFLUNLHI-KKZNHRDASA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)[C@H](C)C1 ZINC000398346155 323010591 /nfs/dbraw/zinc/01/05/91/323010591.db2.gz XGRFXAKFLUNLHI-KKZNHRDASA-N 1 2 208.309 1.719 20 0 BDADLO CCO[C@H]1C[C@@H]1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000562287458 323014950 /nfs/dbraw/zinc/01/49/50/323014950.db2.gz AUQSMPMLJHJSCB-QWRGUYRKSA-N 1 2 249.314 1.997 20 0 BDADLO CCOc1nccnc1NCc1[nH+]ccn1CC ZINC000562537644 323023674 /nfs/dbraw/zinc/02/36/74/323023674.db2.gz XUGUNKXCEJEFFE-UHFFFAOYSA-N 1 2 247.302 1.126 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCSC2)[nH+]1 ZINC000562615440 323025753 /nfs/dbraw/zinc/02/57/53/323025753.db2.gz IHOXDXOTTLDZGX-SECBINFHSA-N 1 2 248.355 1.853 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3cccnc3o2)CC(=O)N1 ZINC000562661740 323026364 /nfs/dbraw/zinc/02/63/64/323026364.db2.gz QJSYFXPUZMXJHB-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3cccnc3o2)CC(=O)N1 ZINC000562661740 323026365 /nfs/dbraw/zinc/02/63/65/323026365.db2.gz QJSYFXPUZMXJHB-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO COC[C@H](C)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000562670912 323027094 /nfs/dbraw/zinc/02/70/94/323027094.db2.gz YDVCECYTPDERSX-RKDXNWHRSA-N 1 2 225.279 1.217 20 0 BDADLO COC[C@H](C)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000562670912 323027095 /nfs/dbraw/zinc/02/70/95/323027095.db2.gz YDVCECYTPDERSX-RKDXNWHRSA-N 1 2 225.279 1.217 20 0 BDADLO c1cnc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000562687725 323027578 /nfs/dbraw/zinc/02/75/78/323027578.db2.gz SMGIDXASYRUCJD-UONOGXRCSA-N 1 2 245.326 1.620 20 0 BDADLO c1cnc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000562687725 323027579 /nfs/dbraw/zinc/02/75/79/323027579.db2.gz SMGIDXASYRUCJD-UONOGXRCSA-N 1 2 245.326 1.620 20 0 BDADLO c1cnc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000562687726 323027605 /nfs/dbraw/zinc/02/76/05/323027605.db2.gz SMGIDXASYRUCJD-ZIAGYGMSSA-N 1 2 245.326 1.620 20 0 BDADLO c1cnc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000562687726 323027606 /nfs/dbraw/zinc/02/76/06/323027606.db2.gz SMGIDXASYRUCJD-ZIAGYGMSSA-N 1 2 245.326 1.620 20 0 BDADLO CC1(C)COC[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000562738061 323029590 /nfs/dbraw/zinc/02/95/90/323029590.db2.gz LNFXPWDQMGFQDQ-ZETCQYMHSA-N 1 2 247.751 1.706 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000562823724 323031781 /nfs/dbraw/zinc/03/17/81/323031781.db2.gz OAZKWCNVAMIPRF-WVSHTKLVSA-N 1 2 234.303 1.376 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000562823724 323031782 /nfs/dbraw/zinc/03/17/82/323031782.db2.gz OAZKWCNVAMIPRF-WVSHTKLVSA-N 1 2 234.303 1.376 20 0 BDADLO C[C@H]1CCCC[C@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000562962675 323036644 /nfs/dbraw/zinc/03/66/44/323036644.db2.gz QKKLMRQOFWNXJL-AAEUAGOBSA-N 1 2 235.331 1.968 20 0 BDADLO Cn1ccc(CNc2cc(NC3CC3)[nH+]cn2)n1 ZINC000569789874 323040591 /nfs/dbraw/zinc/04/05/91/323040591.db2.gz MDIDWFJBTVKGQW-UHFFFAOYSA-N 1 2 244.302 1.397 20 0 BDADLO Cn1ccc(CNc2cc(NC3CC3)nc[nH+]2)n1 ZINC000569789874 323040592 /nfs/dbraw/zinc/04/05/92/323040592.db2.gz MDIDWFJBTVKGQW-UHFFFAOYSA-N 1 2 244.302 1.397 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1F ZINC000570002645 323047094 /nfs/dbraw/zinc/04/70/94/323047094.db2.gz ZYMMPHRIQRXBKM-DTWKUNHWSA-N 1 2 225.267 1.267 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@@H]1F ZINC000570002645 323047095 /nfs/dbraw/zinc/04/70/95/323047095.db2.gz ZYMMPHRIQRXBKM-DTWKUNHWSA-N 1 2 225.267 1.267 20 0 BDADLO CCOCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000570056101 323048733 /nfs/dbraw/zinc/04/87/33/323048733.db2.gz BJMSKJLEHOXYKP-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO CCOCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000570056101 323048734 /nfs/dbraw/zinc/04/87/34/323048734.db2.gz BJMSKJLEHOXYKP-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cscn1 ZINC000161602320 323060383 /nfs/dbraw/zinc/06/03/83/323060383.db2.gz UZRSPWNNQZYIAW-YUMQZZPRSA-N 1 2 248.373 1.227 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC1=O ZINC000570526535 323062205 /nfs/dbraw/zinc/06/22/05/323062205.db2.gz LDUUBQYLYBCLHS-UWVGGRQHSA-N 1 2 249.314 1.074 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC1=O ZINC000570526535 323062206 /nfs/dbraw/zinc/06/22/06/323062206.db2.gz LDUUBQYLYBCLHS-UWVGGRQHSA-N 1 2 249.314 1.074 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000570582372 323064083 /nfs/dbraw/zinc/06/40/83/323064083.db2.gz UPLHEMJNYGTZNH-SSDOTTSWSA-N 1 2 233.275 1.259 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000570582372 323064084 /nfs/dbraw/zinc/06/40/84/323064084.db2.gz UPLHEMJNYGTZNH-SSDOTTSWSA-N 1 2 233.275 1.259 20 0 BDADLO CCN(Cc1ccncc1)C(=O)Cn1cc[nH+]c1 ZINC000567811267 323085886 /nfs/dbraw/zinc/08/58/86/323085886.db2.gz ABSTTZAYQBFPSK-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO CCO/C=C/C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000493587929 323086876 /nfs/dbraw/zinc/08/68/76/323086876.db2.gz QOAIOIZIBAURDG-LZGFCCKTSA-N 1 2 249.314 1.538 20 0 BDADLO CCOC(=O)C[N@H+](CCSC)C1CC1 ZINC000123033525 323101428 /nfs/dbraw/zinc/10/14/28/323101428.db2.gz TUEBQMKHPOJUIZ-UHFFFAOYSA-N 1 2 217.334 1.377 20 0 BDADLO CCOC(=O)C[N@@H+](CCSC)C1CC1 ZINC000123033525 323101429 /nfs/dbraw/zinc/10/14/29/323101429.db2.gz TUEBQMKHPOJUIZ-UHFFFAOYSA-N 1 2 217.334 1.377 20 0 BDADLO CC[C@@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000570982555 323102819 /nfs/dbraw/zinc/10/28/19/323102819.db2.gz CBGZPYLWMXJHAJ-NSHDSACASA-N 1 2 247.298 1.143 20 0 BDADLO COc1ccc[nH+]c1N1CCC([C@@H](C)O)CC1 ZINC000234945932 323105735 /nfs/dbraw/zinc/10/57/35/323105735.db2.gz AFYYYKMXQAZILS-SNVBAGLBSA-N 1 2 236.315 1.687 20 0 BDADLO CSCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571060003 323106323 /nfs/dbraw/zinc/10/63/23/323106323.db2.gz YKFQOOXWOYOGPV-VIFPVBQESA-N 1 2 241.360 1.410 20 0 BDADLO CSCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571060003 323106324 /nfs/dbraw/zinc/10/63/24/323106324.db2.gz YKFQOOXWOYOGPV-VIFPVBQESA-N 1 2 241.360 1.410 20 0 BDADLO CC[C@H](CO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563285885 323108578 /nfs/dbraw/zinc/10/85/78/323108578.db2.gz ZYVFSRGBNVQNRT-WDEREUQCSA-N 1 2 239.319 1.064 20 0 BDADLO CCO[C@H](CC)C(=O)Nc1cc[nH+]cc1CC ZINC000531547121 323109367 /nfs/dbraw/zinc/10/93/67/323109367.db2.gz ZTPITQLSVGCANS-GFCCVEGCSA-N 1 2 236.315 1.820 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)C[S@@](C)=O ZINC000229015556 323110934 /nfs/dbraw/zinc/11/09/34/323110934.db2.gz GWUXWKNQDQXWTC-ANRSDYALSA-N 1 2 228.317 1.269 20 0 BDADLO Cn1cnnc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000534105199 323113734 /nfs/dbraw/zinc/11/37/34/323113734.db2.gz CNTPLHNDPLSZRF-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO CS[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534300313 323115804 /nfs/dbraw/zinc/11/58/04/323115804.db2.gz RYKVJKBEMOTAFH-VIFPVBQESA-N 1 2 224.329 1.810 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1 ZINC000401736660 323119002 /nfs/dbraw/zinc/11/90/02/323119002.db2.gz YXXKHYNTXRMETK-UHFFFAOYSA-N 1 2 229.283 1.393 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000563376490 323120775 /nfs/dbraw/zinc/12/07/75/323120775.db2.gz AQUIDPRXSUJQPW-SECBINFHSA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000563376490 323120776 /nfs/dbraw/zinc/12/07/76/323120776.db2.gz AQUIDPRXSUJQPW-SECBINFHSA-N 1 2 244.298 1.930 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C)CC1 ZINC000563380254 323121954 /nfs/dbraw/zinc/12/19/54/323121954.db2.gz BELLYUJBEPQMIP-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C)CC1 ZINC000563380254 323121955 /nfs/dbraw/zinc/12/19/55/323121955.db2.gz BELLYUJBEPQMIP-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]1C ZINC000563398140 323122865 /nfs/dbraw/zinc/12/28/65/323122865.db2.gz OZNZYWALXCTLMV-OPRDCNLKSA-N 1 2 221.304 1.455 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]1C ZINC000563398140 323122866 /nfs/dbraw/zinc/12/28/66/323122866.db2.gz OZNZYWALXCTLMV-OPRDCNLKSA-N 1 2 221.304 1.455 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC[S@](=O)C1 ZINC000563420745 323124181 /nfs/dbraw/zinc/12/41/81/323124181.db2.gz XKEAKHLVDJDQTD-PSLIRLAXSA-N 1 2 225.317 1.026 20 0 BDADLO CCC[C@@H](CNc1nc(C)[nH+]cc1C)OC ZINC000563423717 323124320 /nfs/dbraw/zinc/12/43/20/323124320.db2.gz IQJDDQTUUPDPNI-NSHDSACASA-N 1 2 223.320 1.742 20 0 BDADLO Cc1ccnc(NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000563539046 323130055 /nfs/dbraw/zinc/13/00/55/323130055.db2.gz MBLUMIGWRGHGSN-JTQLQIEISA-N 1 2 245.286 1.571 20 0 BDADLO CC[C@H](NC(=O)c1[nH]c(=O)[nH]c1C)c1[nH]cc[nH+]1 ZINC000563633218 323133011 /nfs/dbraw/zinc/13/30/11/323133011.db2.gz AFDXPBCAJPRBBT-ZETCQYMHSA-N 1 2 249.274 1.028 20 0 BDADLO Cc1ccc(CSCc2nnn(C)n2)c(C)[nH+]1 ZINC000571120464 323136231 /nfs/dbraw/zinc/13/62/31/323136231.db2.gz OGYXCPRNQVHQNA-UHFFFAOYSA-N 1 2 249.343 1.655 20 0 BDADLO CC(C)c1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]n1 ZINC000571470075 323145770 /nfs/dbraw/zinc/14/57/70/323145770.db2.gz LORQMWCLPIOWBF-MRVPVSSYSA-N 1 2 247.302 1.747 20 0 BDADLO CC[C@H](NC(=O)Cc1ccon1)c1[nH]cc[nH+]1 ZINC000546014809 323146636 /nfs/dbraw/zinc/14/66/36/323146636.db2.gz AJZSZPVNSSONPG-VIFPVBQESA-N 1 2 234.259 1.208 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000571525719 323146872 /nfs/dbraw/zinc/14/68/72/323146872.db2.gz FFVQFFKTDUTVQH-MWLCHTKSSA-N 1 2 249.314 1.592 20 0 BDADLO CC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000571544342 323147470 /nfs/dbraw/zinc/14/74/70/323147470.db2.gz QAIFQQOMNHKEBW-SNVBAGLBSA-N 1 2 207.277 1.284 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCN(C(C)C)C(=O)C1 ZINC000571581783 323148617 /nfs/dbraw/zinc/14/86/17/323148617.db2.gz RKMOHFDWDQRFAG-UHFFFAOYSA-N 1 2 248.330 1.150 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2cccnc2o1 ZINC000571628431 323149935 /nfs/dbraw/zinc/14/99/35/323149935.db2.gz WNHFNXWFJLFZKQ-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000571628431 323149936 /nfs/dbraw/zinc/14/99/36/323149936.db2.gz WNHFNXWFJLFZKQ-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO Cc1occc1C(=O)NCCCCn1cc[nH+]c1 ZINC000049002332 323156506 /nfs/dbraw/zinc/15/65/06/323156506.db2.gz RWCQOLJXXOWVGN-UHFFFAOYSA-N 1 2 247.298 1.995 20 0 BDADLO COCCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535060077 323164967 /nfs/dbraw/zinc/16/49/67/323164967.db2.gz ZSUUZECLJWOLLM-UHFFFAOYSA-N 1 2 237.303 1.230 20 0 BDADLO O=C([C@H]1CCCC12CC2)N1CCn2c[nH+]cc2C1 ZINC000529404231 323175174 /nfs/dbraw/zinc/17/51/74/323175174.db2.gz QAVBEIVDAMIDKS-GFCCVEGCSA-N 1 2 245.326 1.806 20 0 BDADLO Cn1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000563816236 323179099 /nfs/dbraw/zinc/17/90/99/323179099.db2.gz BWIXJPOQRZQYBJ-UHFFFAOYSA-N 1 2 232.287 1.413 20 0 BDADLO C[C@H](C[NH2+][C@@H](C)c1cscn1)S(C)(=O)=O ZINC000308833623 323179859 /nfs/dbraw/zinc/17/98/59/323179859.db2.gz HEJPZAKWTCRLAI-SFYZADRCSA-N 1 2 248.373 1.227 20 0 BDADLO CC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000428114285 323182390 /nfs/dbraw/zinc/18/23/90/323182390.db2.gz CGVLBHHIIBQORD-UHFFFAOYSA-N 1 2 230.271 1.644 20 0 BDADLO OCC1(C[N@H+](CC(F)F)CC2CCC2)COC1 ZINC000535619262 323187191 /nfs/dbraw/zinc/18/71/91/323187191.db2.gz AKWJHHCXZMNYMB-UHFFFAOYSA-N 1 2 249.301 1.363 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cc(F)ccc1F ZINC000051477043 323189267 /nfs/dbraw/zinc/18/92/67/323189267.db2.gz YFECIWVOPHOXGP-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cc(F)ccc1F ZINC000051477043 323189268 /nfs/dbraw/zinc/18/92/68/323189268.db2.gz YFECIWVOPHOXGP-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO C[C@H](C[NH2+][C@@H](C)c1nccs1)S(C)(=O)=O ZINC000309023802 323194283 /nfs/dbraw/zinc/19/42/83/323194283.db2.gz YUIFQQOYGJZODO-SFYZADRCSA-N 1 2 248.373 1.227 20 0 BDADLO Cn1cccc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000536636390 323198991 /nfs/dbraw/zinc/19/89/91/323198991.db2.gz XMOOOZJJCCIGET-UHFFFAOYSA-N 1 2 247.342 1.079 20 0 BDADLO Nc1nc(NCCCCF)[nH+]c2ccccc12 ZINC000519495257 323201578 /nfs/dbraw/zinc/20/15/78/323201578.db2.gz ANZSRTVQXCRSRM-UHFFFAOYSA-N 1 2 234.278 1.626 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2nncs2)c2[nH+]ccn21 ZINC000530189259 323206658 /nfs/dbraw/zinc/20/66/58/323206658.db2.gz PANIJWHSOYGLCF-NKWVEPMBSA-N 1 2 249.299 1.170 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C)(F)F)c[nH+]1 ZINC000563907444 323316970 /nfs/dbraw/zinc/31/69/70/323316970.db2.gz FTPQDESITUXSHO-UHFFFAOYSA-N 1 2 203.192 1.103 20 0 BDADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nnsc1Cl ZINC000309114899 323319275 /nfs/dbraw/zinc/31/92/75/323319275.db2.gz LBUPDKQZCQYBBA-HZGVNTEJSA-N 1 2 247.751 1.849 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000563954892 323334803 /nfs/dbraw/zinc/33/48/03/323334803.db2.gz MVBGERJJSWYEFY-IEBDPFPHSA-N 1 2 237.303 1.550 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000563954892 323334805 /nfs/dbraw/zinc/33/48/05/323334805.db2.gz MVBGERJJSWYEFY-IEBDPFPHSA-N 1 2 237.303 1.550 20 0 BDADLO CN(C)c1ccc(Nc2ncc(F)cn2)c[nH+]1 ZINC000533010104 323810381 /nfs/dbraw/zinc/81/03/81/323810381.db2.gz HDWMOQCADGEHHI-UHFFFAOYSA-N 1 2 233.250 1.820 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)co1 ZINC000660375298 487961361 /nfs/dbraw/zinc/96/13/61/487961361.db2.gz RWJXECXQFAHJHU-GUBZILKMSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)co1 ZINC000660375298 487961366 /nfs/dbraw/zinc/96/13/66/487961366.db2.gz RWJXECXQFAHJHU-GUBZILKMSA-N 1 2 224.304 1.981 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@H]2Cc2ccccc2)[nH]1 ZINC000537049001 324001292 /nfs/dbraw/zinc/00/12/92/324001292.db2.gz ODCZKAKCGWFEHN-NSHDSACASA-N 1 2 244.298 1.327 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@H]2Cc2ccccc2)[nH]1 ZINC000537049001 324001296 /nfs/dbraw/zinc/00/12/96/324001296.db2.gz ODCZKAKCGWFEHN-NSHDSACASA-N 1 2 244.298 1.327 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cncnc2)cn1 ZINC000537624391 324088074 /nfs/dbraw/zinc/08/80/74/324088074.db2.gz XAOSWGIDTNNMBH-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cncnc2)cn1 ZINC000537624391 324088079 /nfs/dbraw/zinc/08/80/79/324088079.db2.gz XAOSWGIDTNNMBH-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)[C@H](C)[C@@H](C)O1 ZINC000572485668 324126999 /nfs/dbraw/zinc/12/69/99/324126999.db2.gz BHGCATCONAWYRT-GMTAPVOTSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)[C@H](C)[C@@H](C)O1 ZINC000572485668 324127002 /nfs/dbraw/zinc/12/70/02/324127002.db2.gz BHGCATCONAWYRT-GMTAPVOTSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000187635977 324183953 /nfs/dbraw/zinc/18/39/53/324183953.db2.gz UYZAEJPYQVZDFK-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1CC=CC1 ZINC000529038110 324236880 /nfs/dbraw/zinc/23/68/80/324236880.db2.gz AWJKMYZZSNDWMC-UHFFFAOYSA-N 1 2 231.299 1.900 20 0 BDADLO CC[C@H](NC(=O)c1cccnn1)c1[nH]cc[nH+]1 ZINC000529050274 324237913 /nfs/dbraw/zinc/23/79/13/324237913.db2.gz CSOBIPVLHUCZOJ-QMMMGPOBSA-N 1 2 231.259 1.081 20 0 BDADLO Cc1scnc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000529548040 324336938 /nfs/dbraw/zinc/33/69/38/324336938.db2.gz FRMLXKJKALQVDM-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1scnc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000529548040 324336940 /nfs/dbraw/zinc/33/69/40/324336940.db2.gz FRMLXKJKALQVDM-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529574332 324347763 /nfs/dbraw/zinc/34/77/63/324347763.db2.gz QHHDQDZZCZTHQT-UTUOFQBUSA-N 1 2 233.315 1.436 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529579244 324350285 /nfs/dbraw/zinc/35/02/85/324350285.db2.gz QJFHOJZXSZMQLT-UTUOFQBUSA-N 1 2 247.342 1.895 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648751 324371285 /nfs/dbraw/zinc/37/12/85/324371285.db2.gz JKDRABBCRHISML-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648751 324371291 /nfs/dbraw/zinc/37/12/91/324371291.db2.gz JKDRABBCRHISML-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO C[C@H](NC(=O)N1CC[C@H]1C)c1[nH+]ccn1C ZINC000667256898 487963146 /nfs/dbraw/zinc/96/31/46/487963146.db2.gz WTDADTNKXUKQOX-BDAKNGLRSA-N 1 2 222.292 1.285 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cnccn1 ZINC000126342274 324693529 /nfs/dbraw/zinc/69/35/29/324693529.db2.gz QSLIOGALVJXJIK-ONEGZZNKSA-N 1 2 243.270 1.345 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCC(=O)N(C)C1 ZINC000128112424 324807390 /nfs/dbraw/zinc/80/73/90/324807390.db2.gz COQSJYWVYDGVDA-SECBINFHSA-N 1 2 235.287 1.123 20 0 BDADLO CC[N@H+](Cc1nnn(C(C)(C)C)n1)C1CCC1 ZINC000653557894 487965477 /nfs/dbraw/zinc/96/54/77/487965477.db2.gz MYFKWGHXFSZIIY-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO CC[N@@H+](Cc1nnn(C(C)(C)C)n1)C1CCC1 ZINC000653557894 487965482 /nfs/dbraw/zinc/96/54/82/487965482.db2.gz MYFKWGHXFSZIIY-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO Cc1oncc1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000130050895 325008060 /nfs/dbraw/zinc/00/80/60/325008060.db2.gz XDZNSLSRYZFFNA-SECBINFHSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1oncc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000130050895 325008063 /nfs/dbraw/zinc/00/80/63/325008063.db2.gz XDZNSLSRYZFFNA-SECBINFHSA-N 1 2 234.303 1.910 20 0 BDADLO CC(C)N(C)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733288 325026291 /nfs/dbraw/zinc/02/62/91/325026291.db2.gz OOIYXAQPOQURTB-VIFPVBQESA-N 1 2 241.360 1.661 20 0 BDADLO CCN(C)C(=O)CC[N@H+](C)CC(F)F ZINC000130334752 325042315 /nfs/dbraw/zinc/04/23/15/325042315.db2.gz PSOAYGFLLJAILA-UHFFFAOYSA-N 1 2 208.252 1.052 20 0 BDADLO CCN(C)C(=O)CC[N@@H+](C)CC(F)F ZINC000130334752 325042316 /nfs/dbraw/zinc/04/23/16/325042316.db2.gz PSOAYGFLLJAILA-UHFFFAOYSA-N 1 2 208.252 1.052 20 0 BDADLO Cc1cccc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC000543411000 325086711 /nfs/dbraw/zinc/08/67/11/325086711.db2.gz CMJJRFQJPXRRNJ-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1ccc(C(=O)NCCc2c[nH+]cn2C)cn1 ZINC000543411286 325086903 /nfs/dbraw/zinc/08/69/03/325086903.db2.gz GSPAKSBRUFZLLA-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000131231226 325128423 /nfs/dbraw/zinc/12/84/23/325128423.db2.gz OONNVWSKUSWPAG-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131454051 325153468 /nfs/dbraw/zinc/15/34/68/325153468.db2.gz QPRBNFVOFXBDFQ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000131454051 325153470 /nfs/dbraw/zinc/15/34/70/325153470.db2.gz QPRBNFVOFXBDFQ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO COCCCCC(=O)Nc1c[nH+]ccc1OC ZINC000131499283 325156286 /nfs/dbraw/zinc/15/62/86/325156286.db2.gz WCBNYKMEGANFNY-UHFFFAOYSA-N 1 2 238.287 1.845 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000131503374 325157341 /nfs/dbraw/zinc/15/73/41/325157341.db2.gz MRHHEJCMACSZQJ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000545060977 325174718 /nfs/dbraw/zinc/17/47/18/325174718.db2.gz IPNXJXRZGPFPRU-BDAKNGLRSA-N 1 2 218.260 1.632 20 0 BDADLO CC(C)(C)n1nnnc1C[NH+]1C2CCC1CC2 ZINC000545206007 325191456 /nfs/dbraw/zinc/19/14/56/325191456.db2.gz OMZKKVXKZOMZRD-UHFFFAOYSA-N 1 2 235.335 1.555 20 0 BDADLO CSCCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000545286421 325207342 /nfs/dbraw/zinc/20/73/42/325207342.db2.gz JBJBZIWBRRECQY-UHFFFAOYSA-N 1 2 241.360 1.174 20 0 BDADLO C[C@H]1OCC[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000546550392 325287223 /nfs/dbraw/zinc/28/72/23/325287223.db2.gz FMZUFZODFZWRMO-SCZZXKLOSA-N 1 2 248.286 1.286 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000546715458 325304389 /nfs/dbraw/zinc/30/43/89/325304389.db2.gz UGCRBVZBVKEFDQ-QWRGUYRKSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000075648738 325305487 /nfs/dbraw/zinc/30/54/87/325305487.db2.gz FMPTVJCVAMITES-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000075648738 325305489 /nfs/dbraw/zinc/30/54/89/325305489.db2.gz FMPTVJCVAMITES-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO CCC[C@H](O)CNc1[nH+]cccc1OC ZINC000134446644 325358924 /nfs/dbraw/zinc/35/89/24/325358924.db2.gz JOVFTRNQFJQBPT-VIFPVBQESA-N 1 2 210.277 1.663 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1F ZINC000134498908 325361374 /nfs/dbraw/zinc/36/13/74/325361374.db2.gz ULUQNMVJKBGJHU-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539828 325371365 /nfs/dbraw/zinc/37/13/65/325371365.db2.gz UCPRMXVAKGUDPW-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)C(C1CC1)C1CC1 ZINC000547604139 325374161 /nfs/dbraw/zinc/37/41/61/325374161.db2.gz DXQIFTDJSVBLMD-UHFFFAOYSA-N 1 2 247.342 1.610 20 0 BDADLO COCCc1noc(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000547768761 325394384 /nfs/dbraw/zinc/39/43/84/325394384.db2.gz QVAHUNXEERDKFT-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO COCCc1noc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000547768761 325394386 /nfs/dbraw/zinc/39/43/86/325394386.db2.gz QVAHUNXEERDKFT-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO COc1cccnc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000548115195 325432293 /nfs/dbraw/zinc/43/22/93/325432293.db2.gz NDJATLQXGDPTKA-UHFFFAOYSA-N 1 2 247.258 1.135 20 0 BDADLO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548488375 325463307 /nfs/dbraw/zinc/46/33/07/325463307.db2.gz VJCFFNCMNWFQDL-NXEZZACHSA-N 1 2 238.335 1.959 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCCC1(C)C ZINC000548999878 325494337 /nfs/dbraw/zinc/49/43/37/325494337.db2.gz LKCPEASCFIKBRQ-UHFFFAOYSA-N 1 2 231.303 1.742 20 0 BDADLO C[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)Cn1cc[nH+]c1 ZINC000246508937 325569509 /nfs/dbraw/zinc/56/95/09/325569509.db2.gz TXRVXEJXJHVDPG-NDBYEHHHSA-N 1 2 247.342 1.682 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682471907 487968727 /nfs/dbraw/zinc/96/87/27/487968727.db2.gz GYRXTGLFFZREFU-NXEZZACHSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682475223 487968769 /nfs/dbraw/zinc/96/87/69/487968769.db2.gz VBJPFOJTEVKVNB-JQWIXIFHSA-N 1 2 247.342 1.608 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000552029148 325589045 /nfs/dbraw/zinc/58/90/45/325589045.db2.gz KHGUIKWPBNCUEG-RKDXNWHRSA-N 1 2 243.332 1.177 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)OC)[C@@H](C)CC ZINC000248615676 325614749 /nfs/dbraw/zinc/61/47/49/325614749.db2.gz YWMUJMJOMWTLGM-GARJFASQSA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)c1nc(N2CC[C@H](C)[C@@H]2CO)cc[nH+]1 ZINC000249135816 325638633 /nfs/dbraw/zinc/63/86/33/325638633.db2.gz WVKLOYHVDSUTDG-QWRGUYRKSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](C)[C@@H]2CO)cc[nH+]1 ZINC000249135811 325638752 /nfs/dbraw/zinc/63/87/52/325638752.db2.gz WVKLOYHVDSUTDG-MNOVXSKESA-N 1 2 235.331 1.807 20 0 BDADLO CCCCO[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552557587 325653249 /nfs/dbraw/zinc/65/32/49/325653249.db2.gz IFHFOMVKOHQRLT-NXEZZACHSA-N 1 2 239.319 1.792 20 0 BDADLO C[C@H](C(=O)Nc1ncccc1O)[NH+]1CC(C)C1 ZINC000552866691 325668251 /nfs/dbraw/zinc/66/82/51/325668251.db2.gz NLTMLEGYDHINEE-SECBINFHSA-N 1 2 235.287 1.066 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCC(F)(F)F)C1 ZINC000553269774 325684550 /nfs/dbraw/zinc/68/45/50/325684550.db2.gz KZPSAHIRMATJAI-UHFFFAOYSA-N 1 2 224.226 1.007 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H](F)C1 ZINC000564461851 325793451 /nfs/dbraw/zinc/79/34/51/325793451.db2.gz KZTCUZUTODMRTG-NSHDSACASA-N 1 2 247.273 1.908 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(CF)CCC1 ZINC000565424058 325909882 /nfs/dbraw/zinc/90/98/82/325909882.db2.gz LXDNJOHLZOLGSM-UHFFFAOYSA-N 1 2 225.267 1.208 20 0 BDADLO C[C@H]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000565911729 325973535 /nfs/dbraw/zinc/97/35/35/325973535.db2.gz LWPICKWKDNVNBM-GXTWGEPZSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc[nH]2)[nH+]1 ZINC000566364392 326037567 /nfs/dbraw/zinc/03/75/67/326037567.db2.gz OUZHCXAHCURMDN-UHFFFAOYSA-N 1 2 232.287 1.711 20 0 BDADLO Cc1cc(C[C@H](C)Nc2nc(C)[nH+]cc2C)n[nH]1 ZINC000566484536 326057121 /nfs/dbraw/zinc/05/71/21/326057121.db2.gz PFEYOIWHPIBUMM-VIFPVBQESA-N 1 2 245.330 1.590 20 0 BDADLO Cc1cc(C[C@H](C)Nc2nc(C)[nH+]cc2C)[nH]n1 ZINC000566484536 326057122 /nfs/dbraw/zinc/05/71/22/326057122.db2.gz PFEYOIWHPIBUMM-VIFPVBQESA-N 1 2 245.330 1.590 20 0 BDADLO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1c[nH]c[nH+]1 ZINC000566851709 326087856 /nfs/dbraw/zinc/08/78/56/326087856.db2.gz WCJXKDPFDWUMNR-ILWJIGKKSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]1C1CC1 ZINC000572578469 326091710 /nfs/dbraw/zinc/09/17/10/326091710.db2.gz JPTXGXJXEPBBFE-CMPLNLGQSA-N 1 2 248.330 1.466 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnn(C)c2)nc1 ZINC000154583897 326151629 /nfs/dbraw/zinc/15/16/29/326151629.db2.gz MFMADVYJOBJLLU-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnn(C)c2)nc1 ZINC000154583897 326151631 /nfs/dbraw/zinc/15/16/31/326151631.db2.gz MFMADVYJOBJLLU-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CCc1nc(C[NH+]2CC(C)(C(N)=O)C2)cs1 ZINC000567265376 326153306 /nfs/dbraw/zinc/15/33/06/326153306.db2.gz OTBNQRYFCLMPAW-UHFFFAOYSA-N 1 2 239.344 1.013 20 0 BDADLO Cc1nc(CC[NH2+]Cc2ccn[nH]2)c(C)o1 ZINC000309729839 326165989 /nfs/dbraw/zinc/16/59/89/326165989.db2.gz ZKDAUUGEUNJXIX-UHFFFAOYSA-N 1 2 220.276 1.347 20 0 BDADLO Cc1ccoc1C(=O)NCCc1c[nH+]cn1C ZINC000155638291 326204931 /nfs/dbraw/zinc/20/49/31/326204931.db2.gz MPJGLFPTUOKPKA-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CC[C@H](COC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567504955 326206581 /nfs/dbraw/zinc/20/65/81/326206581.db2.gz HKOMIFSPMIWXBG-WDEREUQCSA-N 1 2 239.319 1.375 20 0 BDADLO Cc1nc(C)c(NC(=O)Cn2cc[nH+]c2)s1 ZINC000567555084 326216053 /nfs/dbraw/zinc/21/60/53/326216053.db2.gz ULERMJSEPCSMDX-UHFFFAOYSA-N 1 2 236.300 1.595 20 0 BDADLO CC[C@]1(C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000567564056 326217741 /nfs/dbraw/zinc/21/77/41/326217741.db2.gz FDGYHKCYCKFYHB-DGCLKSJQSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)nc1 ZINC000156786571 326242089 /nfs/dbraw/zinc/24/20/89/326242089.db2.gz GLJOJGXMVUHCDK-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)nc1 ZINC000156786571 326242090 /nfs/dbraw/zinc/24/20/90/326242090.db2.gz GLJOJGXMVUHCDK-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@](C)(O)C1 ZINC000157485695 326278084 /nfs/dbraw/zinc/27/80/84/326278084.db2.gz KGEKEBPVJYQONU-GFCCVEGCSA-N 1 2 222.288 1.441 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1oc(C)nc1C ZINC000567914028 326282423 /nfs/dbraw/zinc/28/24/23/326282423.db2.gz MFZWQAFOHWZAQN-UHFFFAOYSA-N 1 2 248.286 1.438 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC1(C)C ZINC000157770172 326294867 /nfs/dbraw/zinc/29/48/67/326294867.db2.gz JUUXFZUMUCFMLI-LLVKDONJSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(F)F ZINC000568068766 326303385 /nfs/dbraw/zinc/30/33/85/326303385.db2.gz RLPJVOJYIPALKF-SSDOTTSWSA-N 1 2 217.219 1.043 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCCO3)ccn12 ZINC000568106150 326309244 /nfs/dbraw/zinc/30/92/44/326309244.db2.gz JDVLOCQDSXDDAI-UHFFFAOYSA-N 1 2 231.255 1.420 20 0 BDADLO CC1(C)CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000568154228 326314441 /nfs/dbraw/zinc/31/44/41/326314441.db2.gz LKBBWBLJQDJDOX-VIFPVBQESA-N 1 2 248.330 1.461 20 0 BDADLO CC1(C)CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000568154228 326314444 /nfs/dbraw/zinc/31/44/44/326314444.db2.gz LKBBWBLJQDJDOX-VIFPVBQESA-N 1 2 248.330 1.461 20 0 BDADLO CCCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000158618433 326333200 /nfs/dbraw/zinc/33/32/00/326333200.db2.gz ZXWZNMRLJGFUDU-VOTSOKGWSA-N 1 2 221.304 1.833 20 0 BDADLO Cc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000158963604 326346622 /nfs/dbraw/zinc/34/66/22/326346622.db2.gz DGWZZGNYOHWTMO-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1NC(=O)c2ccccc2N1C ZINC000158998473 326347605 /nfs/dbraw/zinc/34/76/05/326347605.db2.gz BILGWEAODKNXOE-GFCCVEGCSA-N 1 2 242.282 1.299 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000568465694 326357504 /nfs/dbraw/zinc/35/75/04/326357504.db2.gz WVRVHSAHTKOZPP-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000568465694 326357506 /nfs/dbraw/zinc/35/75/06/326357506.db2.gz WVRVHSAHTKOZPP-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO [NH3+][C@@H](C(=O)N[C@@H]1CC=CCC1)c1cscn1 ZINC000568525418 326363153 /nfs/dbraw/zinc/36/31/53/326363153.db2.gz PCBLJQFAKUBCQW-PSASIEDQSA-N 1 2 237.328 1.368 20 0 BDADLO C[C@@H](NC(=O)c1cc(C2CC2)no1)c1[nH]cc[nH+]1 ZINC000568566931 326365427 /nfs/dbraw/zinc/36/54/27/326365427.db2.gz KKXATCVGTCJLEO-SSDOTTSWSA-N 1 2 246.270 1.766 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)[C@H]1C ZINC000568606878 326367039 /nfs/dbraw/zinc/36/70/39/326367039.db2.gz QTKMERSENVBKLS-VWYCJHECSA-N 1 2 235.331 1.466 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000568643947 326370535 /nfs/dbraw/zinc/37/05/35/326370535.db2.gz VEFDTRQHAQGFKA-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO CCC[C@H](C)[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000568771183 326376835 /nfs/dbraw/zinc/37/68/35/326376835.db2.gz KYTKHAOHISGDNA-JQWIXIFHSA-N 1 2 249.358 1.985 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCO[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000568816847 326377901 /nfs/dbraw/zinc/37/79/01/326377901.db2.gz UZKYHWZPPGXADX-AEJSXWLSSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000568816848 326377981 /nfs/dbraw/zinc/37/79/81/326377981.db2.gz UZKYHWZPPGXADX-BBBLOLIVSA-N 1 2 237.303 1.402 20 0 BDADLO CC[N@H+](Cc1c(C)nsc1C)C1COC1 ZINC000569017448 326386909 /nfs/dbraw/zinc/38/69/09/326386909.db2.gz LMKOORGMNXEFLN-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO CC[N@@H+](Cc1c(C)nsc1C)C1COC1 ZINC000569017448 326386910 /nfs/dbraw/zinc/38/69/10/326386910.db2.gz LMKOORGMNXEFLN-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO CCC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC000569060259 326388301 /nfs/dbraw/zinc/38/83/01/326388301.db2.gz QETYNBLSIGWCRI-UHFFFAOYSA-N 1 2 207.277 1.332 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1(C(F)(F)F)CCC1 ZINC000569302724 326399250 /nfs/dbraw/zinc/39/92/50/326399250.db2.gz DYDBKDCNPKHWOW-UHFFFAOYSA-N 1 2 247.220 1.484 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC000572609588 326400567 /nfs/dbraw/zinc/40/05/67/326400567.db2.gz VBWHCBUTLBVWSY-ZYHUDNBSSA-N 1 2 233.315 1.845 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCCO1 ZINC000573177753 326433345 /nfs/dbraw/zinc/43/33/45/326433345.db2.gz ZZNAGQYROSBHBR-SECBINFHSA-N 1 2 235.287 1.337 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000573222408 326436794 /nfs/dbraw/zinc/43/67/94/326436794.db2.gz NFBOLKPCFSPZAR-UMNHJUIQSA-N 1 2 249.314 1.080 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682512348 487973325 /nfs/dbraw/zinc/97/33/25/487973325.db2.gz XQSPGFZAVKSFGI-IJLUTSLNSA-N 1 2 247.342 1.845 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682525566 487976679 /nfs/dbraw/zinc/97/66/79/487976679.db2.gz LZBVNCMBZXKLME-RYUDHWBXSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2N(C)C)o1 ZINC000681355960 487978450 /nfs/dbraw/zinc/97/84/50/487978450.db2.gz DGXWDAFJSNURID-UHFFFAOYSA-N 1 2 245.282 1.723 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000682535417 487979712 /nfs/dbraw/zinc/97/97/12/487979712.db2.gz WAOJOSGUABPGEI-NQBHXWOUSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000682535417 487979713 /nfs/dbraw/zinc/97/97/13/487979713.db2.gz WAOJOSGUABPGEI-NQBHXWOUSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccco1 ZINC000093384245 487982892 /nfs/dbraw/zinc/98/28/92/487982892.db2.gz DSUVRNARCZJFJM-SECBINFHSA-N 1 2 231.317 1.145 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccco1 ZINC000093384245 487982894 /nfs/dbraw/zinc/98/28/94/487982894.db2.gz DSUVRNARCZJFJM-SECBINFHSA-N 1 2 231.317 1.145 20 0 BDADLO CC(C)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544422 487983505 /nfs/dbraw/zinc/98/35/05/487983505.db2.gz RJLZSWOFDYKILE-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544422 487983509 /nfs/dbraw/zinc/98/35/09/487983509.db2.gz RJLZSWOFDYKILE-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO O=C(c1ncccc1F)N1CC[NH+](C2CC2)CC1 ZINC000667359524 487984198 /nfs/dbraw/zinc/98/41/98/487984198.db2.gz CIWRYKYFJCYMOD-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO C[C@H]1C[C@H](C)N(c2nc[nH+]c3c2OCCN3)C1 ZINC000665702328 487993039 /nfs/dbraw/zinc/99/30/39/487993039.db2.gz XFBSWUWJEYGEAX-IUCAKERBSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@H]1C[C@H](C)N(c2[nH+]cnc3c2OCCN3)C1 ZINC000665702328 487993042 /nfs/dbraw/zinc/99/30/42/487993042.db2.gz XFBSWUWJEYGEAX-IUCAKERBSA-N 1 2 234.303 1.516 20 0 BDADLO Cc1cnccc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000668604460 487997018 /nfs/dbraw/zinc/99/70/18/487997018.db2.gz VQAUDXLQWCQDAK-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cnccc1C[N@H+](C)Cc1cn(C)nn1 ZINC000668604460 487997026 /nfs/dbraw/zinc/99/70/26/487997026.db2.gz VQAUDXLQWCQDAK-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1cn(C)nn1 ZINC000668603738 487996899 /nfs/dbraw/zinc/99/68/99/487996899.db2.gz IBXXXPAFNNFPJC-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO CN(CCCCO)c1cc[nH+]c(C(C)(C)C)n1 ZINC000682619972 488004015 /nfs/dbraw/zinc/00/40/15/488004015.db2.gz FKSBAELQGPZYGP-UHFFFAOYSA-N 1 2 237.347 1.983 20 0 BDADLO CCc1cc(N(C)C[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000677239355 488004732 /nfs/dbraw/zinc/00/47/32/488004732.db2.gz FHDRORNSDQOOLJ-CMPLNLGQSA-N 1 2 235.331 1.636 20 0 BDADLO CCCn1nccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000667464658 488014530 /nfs/dbraw/zinc/01/45/30/488014530.db2.gz YJKTWIMOSRHUKK-TXEJJXNPSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000667464658 488014537 /nfs/dbraw/zinc/01/45/37/488014537.db2.gz YJKTWIMOSRHUKK-TXEJJXNPSA-N 1 2 237.347 1.902 20 0 BDADLO C=C/C(C)=C\CC(=O)NCCCn1cc[nH+]c1 ZINC000682692259 488019199 /nfs/dbraw/zinc/01/91/99/488019199.db2.gz CZBDFSVWIWVEIY-XGICHPGQSA-N 1 2 233.315 1.912 20 0 BDADLO CC1=CC[N@H+](CC(=O)Nc2ccon2)CC1 ZINC000677379529 488026828 /nfs/dbraw/zinc/02/68/28/488026828.db2.gz ACSNRYKAXKNIDB-UHFFFAOYSA-N 1 2 221.260 1.265 20 0 BDADLO CC1=CC[N@@H+](CC(=O)Nc2ccon2)CC1 ZINC000677379529 488026833 /nfs/dbraw/zinc/02/68/33/488026833.db2.gz ACSNRYKAXKNIDB-UHFFFAOYSA-N 1 2 221.260 1.265 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]c(C)c1)C1CCCC1 ZINC000668635883 488034972 /nfs/dbraw/zinc/03/49/72/488034972.db2.gz QDXZXUPUWMOGNB-ZDUSSCGKSA-N 1 2 248.326 1.956 20 0 BDADLO Cc1cc(NC(=O)C[C@@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000668635140 488034647 /nfs/dbraw/zinc/03/46/47/488034647.db2.gz IOUKHUNHHACTHZ-MFKMUULPSA-N 1 2 248.326 1.956 20 0 BDADLO CC1(C)COCCN1Cc1c[nH+]c2n1CCC2 ZINC000667543833 488041527 /nfs/dbraw/zinc/04/15/27/488041527.db2.gz MSHXPPCDJRZKCU-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO Cc1[nH+]cc(CN(C)C[C@H]2CCCCO2)n1C ZINC000667549480 488042975 /nfs/dbraw/zinc/04/29/75/488042975.db2.gz MXCKYHJZGPOCCI-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CC1(C)C ZINC000670076049 488050697 /nfs/dbraw/zinc/05/06/97/488050697.db2.gz PVSBCDUPJXTWJH-NSHDSACASA-N 1 2 248.330 1.490 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)NC(C)(C)C ZINC000670076359 488053270 /nfs/dbraw/zinc/05/32/70/488053270.db2.gz BZVJPWMUIVYBPD-UHFFFAOYSA-N 1 2 236.319 1.490 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)n(C)n1 ZINC000334924499 488061495 /nfs/dbraw/zinc/06/14/95/488061495.db2.gz GDOLZQIAQHRQTG-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)n(C)n1 ZINC000334924499 488061500 /nfs/dbraw/zinc/06/15/00/488061500.db2.gz GDOLZQIAQHRQTG-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn3c2CCC3)[C@H]1C ZINC000667639926 488065195 /nfs/dbraw/zinc/06/51/95/488065195.db2.gz GFENOEXVHJRGTK-WDEREUQCSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn3c2CCC3)[C@H]1C ZINC000667639926 488065200 /nfs/dbraw/zinc/06/52/00/488065200.db2.gz GFENOEXVHJRGTK-WDEREUQCSA-N 1 2 235.331 1.439 20 0 BDADLO c1coc([C@@H]2C[N@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000678294965 488067842 /nfs/dbraw/zinc/06/78/42/488067842.db2.gz TTYHOZIAIXJIEN-LBPRGKRZSA-N 1 2 233.271 1.576 20 0 BDADLO c1coc([C@@H]2C[N@@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000678294965 488067849 /nfs/dbraw/zinc/06/78/49/488067849.db2.gz TTYHOZIAIXJIEN-LBPRGKRZSA-N 1 2 233.271 1.576 20 0 BDADLO Cc1ccc(NCc2c[nH+]c(C)cc2C)nn1 ZINC000396988902 488070137 /nfs/dbraw/zinc/07/01/37/488070137.db2.gz FQSRTWLFEWUOIA-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(O)cc2)n1 ZINC000682999284 488081805 /nfs/dbraw/zinc/08/18/05/488081805.db2.gz NCVNVGUWLNCFBF-MRVPVSSYSA-N 1 2 233.271 1.934 20 0 BDADLO COC1(C[N@@H+]2C[C@H](O)CC(F)(F)C2)CCCC1 ZINC000682999444 488083635 /nfs/dbraw/zinc/08/36/35/488083635.db2.gz PUPOCOBHPMBZJP-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO COC1(C[N@H+]2C[C@H](O)CC(F)(F)C2)CCCC1 ZINC000682999444 488083641 /nfs/dbraw/zinc/08/36/41/488083641.db2.gz PUPOCOBHPMBZJP-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO Cc1cnc(C[N@H+]2CCCOC[C@@H]2C)nc1 ZINC000677695510 488093849 /nfs/dbraw/zinc/09/38/49/488093849.db2.gz VJMGYNNFXITCKD-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCOC[C@@H]2C)nc1 ZINC000677695510 488093853 /nfs/dbraw/zinc/09/38/53/488093853.db2.gz VJMGYNNFXITCKD-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO O=C(C[N@@H+]1CCCSCC1)Nc1ccon1 ZINC000677710549 488096279 /nfs/dbraw/zinc/09/62/79/488096279.db2.gz SHLBLLDGRWGFNT-UHFFFAOYSA-N 1 2 241.316 1.052 20 0 BDADLO O=C(C[N@H+]1CCCSCC1)Nc1ccon1 ZINC000677710549 488096288 /nfs/dbraw/zinc/09/62/88/488096288.db2.gz SHLBLLDGRWGFNT-UHFFFAOYSA-N 1 2 241.316 1.052 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000683019688 488096379 /nfs/dbraw/zinc/09/63/79/488096379.db2.gz PLOXRGJAVMDWKD-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000683019688 488096384 /nfs/dbraw/zinc/09/63/84/488096384.db2.gz PLOXRGJAVMDWKD-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000677730546 488098621 /nfs/dbraw/zinc/09/86/21/488098621.db2.gz LBRQDKFYHFBCPZ-ZETCQYMHSA-N 1 2 201.220 1.497 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000677730546 488098626 /nfs/dbraw/zinc/09/86/26/488098626.db2.gz LBRQDKFYHFBCPZ-ZETCQYMHSA-N 1 2 201.220 1.497 20 0 BDADLO CCn1nc(C)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140779459 488101099 /nfs/dbraw/zinc/10/10/99/488101099.db2.gz LZKDSPHWSNXGRL-SECBINFHSA-N 1 2 247.302 1.426 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccon1 ZINC000677732436 488110171 /nfs/dbraw/zinc/11/01/71/488110171.db2.gz HJUNBQFUCFGXMQ-SSDOTTSWSA-N 1 2 245.229 1.200 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccon1 ZINC000677732436 488110175 /nfs/dbraw/zinc/11/01/75/488110175.db2.gz HJUNBQFUCFGXMQ-SSDOTTSWSA-N 1 2 245.229 1.200 20 0 BDADLO CC[C@H](C)NC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732973 488111363 /nfs/dbraw/zinc/11/13/63/488111363.db2.gz MHOUASDQCSQVGS-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](F)C1 ZINC000516977120 488112659 /nfs/dbraw/zinc/11/26/59/488112659.db2.gz BCEPPMPDHMACME-SECBINFHSA-N 1 2 225.267 1.303 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](F)C1 ZINC000516977120 488112663 /nfs/dbraw/zinc/11/26/63/488112663.db2.gz BCEPPMPDHMACME-SECBINFHSA-N 1 2 225.267 1.303 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000451814579 488114703 /nfs/dbraw/zinc/11/47/03/488114703.db2.gz KMFBFEWMUYVBIE-PWSUYJOCSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cc(=O)n(Cc2[nH+]ccn2C(F)F)cn1 ZINC000677796429 488122945 /nfs/dbraw/zinc/12/29/45/488122945.db2.gz MAPMXPJYFZBATF-UHFFFAOYSA-N 1 2 240.213 1.192 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000659994931 488129939 /nfs/dbraw/zinc/12/99/39/488129939.db2.gz PWMANZWWFZZVKR-WPRPVWTQSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000659994931 488129943 /nfs/dbraw/zinc/12/99/43/488129943.db2.gz PWMANZWWFZZVKR-WPRPVWTQSA-N 1 2 238.335 1.131 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@]1(C)CC=CCC1 ZINC000334700828 487541696 /nfs/dbraw/zinc/54/16/96/487541696.db2.gz FUXQKLJVYMEGFS-CYBMUJFWSA-N 1 2 248.330 1.718 20 0 BDADLO Cc1ocnc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680258299 487554800 /nfs/dbraw/zinc/55/48/00/487554800.db2.gz QSEGFTFXABCMHT-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cncs2)c1 ZINC000680260319 487554899 /nfs/dbraw/zinc/55/48/99/487554899.db2.gz TZRUNESEFDCDIN-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccncc2F)CCCO1 ZINC000334636927 487531025 /nfs/dbraw/zinc/53/10/25/487531025.db2.gz HRCUJTGVKDUFAO-LLVKDONJSA-N 1 2 242.269 1.781 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccncc2F)CCCO1 ZINC000334636927 487531029 /nfs/dbraw/zinc/53/10/29/487531029.db2.gz HRCUJTGVKDUFAO-LLVKDONJSA-N 1 2 242.269 1.781 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)s1 ZINC000680072362 487531663 /nfs/dbraw/zinc/53/16/63/487531663.db2.gz MYIQYUSWTXONBZ-DTWKUNHWSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)s1 ZINC000680072362 487531667 /nfs/dbraw/zinc/53/16/67/487531667.db2.gz MYIQYUSWTXONBZ-DTWKUNHWSA-N 1 2 241.360 1.303 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2CO)s1 ZINC000680073177 487532394 /nfs/dbraw/zinc/53/23/94/487532394.db2.gz XFRFFYUEQBILDA-SECBINFHSA-N 1 2 244.385 1.361 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@H]2CO)s1 ZINC000680073177 487532397 /nfs/dbraw/zinc/53/23/97/487532397.db2.gz XFRFFYUEQBILDA-SECBINFHSA-N 1 2 244.385 1.361 20 0 BDADLO OCC1(CNc2cc[nH+]c3ccncc23)CCC1 ZINC000680074398 487533304 /nfs/dbraw/zinc/53/33/04/487533304.db2.gz GCRRGIRRKBAXPO-UHFFFAOYSA-N 1 2 243.310 1.626 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000685469574 487533617 /nfs/dbraw/zinc/53/36/17/487533617.db2.gz MXZRPGGIZBMMMP-MRVPVSSYSA-N 1 2 242.706 1.643 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(Cl)o1 ZINC000685469574 487533621 /nfs/dbraw/zinc/53/36/21/487533621.db2.gz MXZRPGGIZBMMMP-MRVPVSSYSA-N 1 2 242.706 1.643 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCO[C@H](C)C2)n1 ZINC000339590850 487470758 /nfs/dbraw/zinc/47/07/58/487470758.db2.gz TYPKDNDCMFBIAT-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cccc(C[N@H+]2CCO[C@H](C)C2)n1 ZINC000339590850 487470761 /nfs/dbraw/zinc/47/07/61/487470761.db2.gz TYPKDNDCMFBIAT-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCn1c[nH+]cc1CN1CC(F)(F)C[C@@H]1CO ZINC000669559306 487470979 /nfs/dbraw/zinc/47/09/79/487470979.db2.gz IUISYCPFFGFXCD-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC[C@H](C)C1)CC2 ZINC000679894459 487482590 /nfs/dbraw/zinc/48/25/90/487482590.db2.gz XSKQYVISDHWIOS-CMPLNLGQSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ocnc1C)CC2 ZINC000679908994 487484512 /nfs/dbraw/zinc/48/45/12/487484512.db2.gz OVHWGWNDGUPBFX-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cnc(C)s1)CC2 ZINC000679868163 487477119 /nfs/dbraw/zinc/47/71/19/487477119.db2.gz TXGJUAGMKYSLSA-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cc1cn2c([nH+]1)CN([C@@H](C)c1nc(C)no1)CC2 ZINC000679869411 487478017 /nfs/dbraw/zinc/47/80/17/487478017.db2.gz OHUHCIGPFRIRSG-VIFPVBQESA-N 1 2 247.302 1.460 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000682672583 487479759 /nfs/dbraw/zinc/47/97/59/487479759.db2.gz FOEAACZQXVMMSL-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000682672583 487479760 /nfs/dbraw/zinc/47/97/60/487479760.db2.gz FOEAACZQXVMMSL-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CCc1ncc(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000673934265 487484602 /nfs/dbraw/zinc/48/46/02/487484602.db2.gz ALCMFNWWOBTMKN-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1ncc(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000673934265 487484608 /nfs/dbraw/zinc/48/46/08/487484608.db2.gz ALCMFNWWOBTMKN-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1ccco1 ZINC000673936420 487486299 /nfs/dbraw/zinc/48/62/99/487486299.db2.gz YJXZTTJJKMDROF-MRVPVSSYSA-N 1 2 219.244 1.423 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1ccco1 ZINC000673936420 487486302 /nfs/dbraw/zinc/48/63/02/487486302.db2.gz YJXZTTJJKMDROF-MRVPVSSYSA-N 1 2 219.244 1.423 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)OCC1CC1 ZINC000673945419 487488553 /nfs/dbraw/zinc/48/85/53/487488553.db2.gz VQZDROOECIXFMQ-VIFPVBQESA-N 1 2 237.303 1.149 20 0 BDADLO COc1ncc(C[N@H+](C)Cc2cn[nH]c2)c(C)n1 ZINC000685003745 487490120 /nfs/dbraw/zinc/49/01/20/487490120.db2.gz NIZUVVVQUFIWAC-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO COc1ncc(C[N@@H+](C)Cc2cn[nH]c2)c(C)n1 ZINC000685003745 487490122 /nfs/dbraw/zinc/49/01/22/487490122.db2.gz NIZUVVVQUFIWAC-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncccn2)cn1 ZINC000062053068 487491898 /nfs/dbraw/zinc/49/18/98/487491898.db2.gz PLDPTMNPZZKKDG-UHFFFAOYSA-N 1 2 214.272 1.470 20 0 BDADLO CCOC1CN(Cc2[nH+]ccn2C(C)C)C1 ZINC000668231329 487497672 /nfs/dbraw/zinc/49/76/72/487497672.db2.gz VHGLLDNEMQXBCY-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674047601 487504249 /nfs/dbraw/zinc/50/42/49/487504249.db2.gz NXDHUERLAFVOLI-NSHDSACASA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674047601 487504253 /nfs/dbraw/zinc/50/42/53/487504253.db2.gz NXDHUERLAFVOLI-NSHDSACASA-N 1 2 222.263 1.319 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cnc(N)s1)CC2 ZINC000680001489 487513472 /nfs/dbraw/zinc/51/34/72/487513472.db2.gz YISFSYZTWDUCTM-UHFFFAOYSA-N 1 2 249.343 1.246 20 0 BDADLO CCCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220529749 487514906 /nfs/dbraw/zinc/51/49/06/487514906.db2.gz GOCUIWIDJRNCHB-JTQLQIEISA-N 1 2 235.331 1.821 20 0 BDADLO CCCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220529749 487514908 /nfs/dbraw/zinc/51/49/08/487514908.db2.gz GOCUIWIDJRNCHB-JTQLQIEISA-N 1 2 235.331 1.821 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCS[C@@H]1C ZINC000381637766 487516281 /nfs/dbraw/zinc/51/62/81/487516281.db2.gz XRRZDJJEJVAVAI-RQJHMYQMSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCS[C@@H]1C ZINC000381637766 487516286 /nfs/dbraw/zinc/51/62/86/487516286.db2.gz XRRZDJJEJVAVAI-RQJHMYQMSA-N 1 2 240.332 1.373 20 0 BDADLO Cc1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1O ZINC000086555958 487518554 /nfs/dbraw/zinc/51/85/54/487518554.db2.gz WCTUGWDCQSKNFL-VIFPVBQESA-N 1 2 238.312 1.302 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCOC[C@@H]2C)nn1 ZINC000685418685 487519130 /nfs/dbraw/zinc/51/91/30/487519130.db2.gz AQOHHYPIQLNDBN-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCOC[C@@H]2C)nn1 ZINC000685418685 487519132 /nfs/dbraw/zinc/51/91/32/487519132.db2.gz AQOHHYPIQLNDBN-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CCc1cc(NCCc2cnc(C)cn2)nc[nH+]1 ZINC000665724472 487522673 /nfs/dbraw/zinc/52/26/73/487522673.db2.gz BTCGXTNNCWEQSM-UHFFFAOYSA-N 1 2 243.314 1.792 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ccco2)nn1 ZINC000404404792 488156408 /nfs/dbraw/zinc/15/64/08/488156408.db2.gz CKAAAQWXFPZVDU-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO Cc1cc(NC(=O)c2ccnnc2)cc[nH+]1 ZINC000129272966 490040575 /nfs/dbraw/zinc/04/05/75/490040575.db2.gz ACGLYLNSQSGCLU-UHFFFAOYSA-N 1 2 214.228 1.432 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](CF)C1 ZINC000334830974 487563462 /nfs/dbraw/zinc/56/34/62/487563462.db2.gz VIBCNGDCYNHIGK-MNOVXSKESA-N 1 2 224.279 1.813 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](CF)C1 ZINC000334830974 487563469 /nfs/dbraw/zinc/56/34/69/487563469.db2.gz VIBCNGDCYNHIGK-MNOVXSKESA-N 1 2 224.279 1.813 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC2(CC2)C1 ZINC000335406168 487628685 /nfs/dbraw/zinc/62/86/85/487628685.db2.gz KTSGMRLUHDQBGY-UHFFFAOYSA-N 1 2 241.294 1.499 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1C2CCC1CC2 ZINC000665852047 487634539 /nfs/dbraw/zinc/63/45/39/487634539.db2.gz ZOVSAQHIXXEPLB-WHXUTIOJSA-N 1 2 245.326 1.668 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1C2CCC1CC2 ZINC000665852047 487634545 /nfs/dbraw/zinc/63/45/45/487634545.db2.gz ZOVSAQHIXXEPLB-WHXUTIOJSA-N 1 2 245.326 1.668 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nnc(C)o1 ZINC000675199860 487680483 /nfs/dbraw/zinc/68/04/83/487680483.db2.gz IPHHYCWUTFMUHO-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nnc(C)o1 ZINC000675199860 487680486 /nfs/dbraw/zinc/68/04/86/487680486.db2.gz IPHHYCWUTFMUHO-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC(C)(C)C)o1 ZINC000676042765 487804731 /nfs/dbraw/zinc/80/47/31/487804731.db2.gz NSZYGDIBKFXITA-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC(C)(C)C)o1 ZINC000676042765 487804736 /nfs/dbraw/zinc/80/47/36/487804736.db2.gz NSZYGDIBKFXITA-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1cccc2[nH+]cc(CNc3cn(C)nn3)n21 ZINC000558635190 487809862 /nfs/dbraw/zinc/80/98/62/487809862.db2.gz ACSWLEPHCLUCFR-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccncn1 ZINC000681660596 487834088 /nfs/dbraw/zinc/83/40/88/487834088.db2.gz MNJVBFUPRRVDII-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC=CCC1 ZINC000681662086 487834101 /nfs/dbraw/zinc/83/41/01/487834101.db2.gz VGBYSFZKTUPGKL-LLVKDONJSA-N 1 2 246.314 1.169 20 0 BDADLO Cc1[nH+]cccc1NC[C@@H]1CNc2ccnn2C1 ZINC000676494790 487856983 /nfs/dbraw/zinc/85/69/83/487856983.db2.gz KAJSBPKXVHOZSH-LLVKDONJSA-N 1 2 243.314 1.740 20 0 BDADLO Cc1cc(N2CCOc3ncccc3C2)nc[nH+]1 ZINC000682235567 487932423 /nfs/dbraw/zinc/93/24/23/487932423.db2.gz SNZJMIYUBHNYEY-UHFFFAOYSA-N 1 2 242.282 1.579 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1onc2c1CCCC2 ZINC000668603121 487995854 /nfs/dbraw/zinc/99/58/54/487995854.db2.gz BZBWJDZUANHGIJ-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO CCOc1cc(NCc2[nH+]ccn2C)nc(C)n1 ZINC000090792486 488002719 /nfs/dbraw/zinc/00/27/19/488002719.db2.gz LWBUMHASFMASEQ-UHFFFAOYSA-N 1 2 247.302 1.529 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccnnc1 ZINC000677403286 488029443 /nfs/dbraw/zinc/02/94/43/488029443.db2.gz FWSAPQLENHAKPX-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO Cc1cn2cc(NC(=O)c3cnco3)ccc2[nH+]1 ZINC000677530710 488065711 /nfs/dbraw/zinc/06/57/11/488065711.db2.gz MJIGIGRCCDXNKQ-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000685843095 488123501 /nfs/dbraw/zinc/12/35/01/488123501.db2.gz LJOYRXSBJGMFLD-WCBMZHEXSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000685843095 488123505 /nfs/dbraw/zinc/12/35/05/488123505.db2.gz LJOYRXSBJGMFLD-WCBMZHEXSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000685843095 488123509 /nfs/dbraw/zinc/12/35/09/488123509.db2.gz LJOYRXSBJGMFLD-WCBMZHEXSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000685843095 488123511 /nfs/dbraw/zinc/12/35/11/488123511.db2.gz LJOYRXSBJGMFLD-WCBMZHEXSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667870799 488143631 /nfs/dbraw/zinc/14/36/31/488143631.db2.gz DZOLQMQYGOCSPY-RYUDHWBXSA-N 1 2 221.304 1.375 20 0 BDADLO FC(F)O[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000683355044 488152229 /nfs/dbraw/zinc/15/22/29/488152229.db2.gz MMMMWMCDJQCNLO-VIFPVBQESA-N 1 2 232.230 1.878 20 0 BDADLO FC(F)O[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000683355044 488152235 /nfs/dbraw/zinc/15/22/35/488152235.db2.gz MMMMWMCDJQCNLO-VIFPVBQESA-N 1 2 232.230 1.878 20 0 BDADLO C[C@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)C1CC1 ZINC000673905520 488157548 /nfs/dbraw/zinc/15/75/48/488157548.db2.gz FZPISNORRASRCE-JTQLQIEISA-N 1 2 246.310 1.717 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cccnc2)nn1 ZINC000404417516 488157756 /nfs/dbraw/zinc/15/77/56/488157756.db2.gz AEVBMFSIIVEROW-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO CCn1cc(C[NH2+]Cc2cccc(O)c2)nn1 ZINC000404428583 488159593 /nfs/dbraw/zinc/15/95/93/488159593.db2.gz GHQBAKIEFXJFKH-UHFFFAOYSA-N 1 2 232.287 1.293 20 0 BDADLO CC(C)(C)c1nc(N2CCC(=O)CC2)cc[nH+]1 ZINC000683456264 488165740 /nfs/dbraw/zinc/16/57/40/488165740.db2.gz IFPXRCUKEIPZPN-UHFFFAOYSA-N 1 2 233.315 1.943 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000681553956 488172910 /nfs/dbraw/zinc/17/29/10/488172910.db2.gz MHZVZLHWXCTMTF-IJLUTSLNSA-N 1 2 247.342 1.560 20 0 BDADLO Fc1c[nH+]ccc1NC[C@H]1CCCS1 ZINC000606281708 488182032 /nfs/dbraw/zinc/18/20/32/488182032.db2.gz RAJBQGMDZCZSOR-MRVPVSSYSA-N 1 2 212.293 1.950 20 0 BDADLO CCOC1CC(C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627372421 488182587 /nfs/dbraw/zinc/18/25/87/488182587.db2.gz LSNJTXHTRHPJSA-UHFFFAOYSA-N 1 2 249.314 1.110 20 0 BDADLO CCOC1CC(C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627372421 488182591 /nfs/dbraw/zinc/18/25/91/488182591.db2.gz LSNJTXHTRHPJSA-UHFFFAOYSA-N 1 2 249.314 1.110 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875441 488193410 /nfs/dbraw/zinc/19/34/10/488193410.db2.gz MUYCUINEGKPHDQ-SECBINFHSA-N 1 2 221.304 1.383 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875441 488193415 /nfs/dbraw/zinc/19/34/15/488193415.db2.gz MUYCUINEGKPHDQ-SECBINFHSA-N 1 2 221.304 1.383 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1nccs1 ZINC000683571249 488199322 /nfs/dbraw/zinc/19/93/22/488199322.db2.gz PLASKJNQKKZJSK-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO Fc1cccn2cc(C[N@@H+]3CCCOCC3)nc12 ZINC000678184110 488215108 /nfs/dbraw/zinc/21/51/08/488215108.db2.gz YJCDLPQPFLQVFG-UHFFFAOYSA-N 1 2 249.289 1.696 20 0 BDADLO Fc1cccn2cc(C[N@H+]3CCCOCC3)nc12 ZINC000678184110 488215110 /nfs/dbraw/zinc/21/51/10/488215110.db2.gz YJCDLPQPFLQVFG-UHFFFAOYSA-N 1 2 249.289 1.696 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(N)c1)c1csnn1 ZINC000398327894 488216403 /nfs/dbraw/zinc/21/64/03/488216403.db2.gz JUAANYACRPEFBR-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000323869700 488225850 /nfs/dbraw/zinc/22/58/50/488225850.db2.gz LGDGDDFAFQTKOP-SNVBAGLBSA-N 1 2 231.303 1.964 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672157098 488242559 /nfs/dbraw/zinc/24/25/59/488242559.db2.gz ZAOGCWRFYIQYJK-SDDRHHMPSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(C)(C)C1 ZINC000683945365 488249193 /nfs/dbraw/zinc/24/91/93/488249193.db2.gz AXLBHOZLKLVBDW-UHFFFAOYSA-N 1 2 219.288 1.686 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cn[nH]c2)o1 ZINC000678466301 488257714 /nfs/dbraw/zinc/25/77/14/488257714.db2.gz FANLPNNNLCBURL-SECBINFHSA-N 1 2 220.276 1.899 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000678466301 488257717 /nfs/dbraw/zinc/25/77/17/488257717.db2.gz FANLPNNNLCBURL-SECBINFHSA-N 1 2 220.276 1.899 20 0 BDADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000672543957 488259008 /nfs/dbraw/zinc/25/90/08/488259008.db2.gz DQMQCKUKPFMWMH-WDEREUQCSA-N 1 2 238.335 1.377 20 0 BDADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000672543957 488259010 /nfs/dbraw/zinc/25/90/10/488259010.db2.gz DQMQCKUKPFMWMH-WDEREUQCSA-N 1 2 238.335 1.377 20 0 BDADLO COc1ccncc1C[N@H+](C)Cc1cn[nH]c1 ZINC000672551389 488259745 /nfs/dbraw/zinc/25/97/45/488259745.db2.gz VPPPSJSTHNUGGM-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ccncc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000672551389 488259748 /nfs/dbraw/zinc/25/97/48/488259748.db2.gz VPPPSJSTHNUGGM-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO CC1CN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000672668468 488263243 /nfs/dbraw/zinc/26/32/43/488263243.db2.gz NFZDMTVDNLAVPZ-UHFFFAOYSA-N 1 2 230.271 1.818 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)CF)c(C)c[nH+]1 ZINC000672712872 488264659 /nfs/dbraw/zinc/26/46/59/488264659.db2.gz KUEMUKYXIMHOTR-SECBINFHSA-N 1 2 225.267 1.600 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1(CO)CC1 ZINC000672765202 488265582 /nfs/dbraw/zinc/26/55/82/488265582.db2.gz BEIWNWZHQOHVHK-UHFFFAOYSA-N 1 2 249.314 1.592 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1C(C)(C)C1(C)C ZINC000672964333 488270367 /nfs/dbraw/zinc/27/03/67/488270367.db2.gz JTSMZAJQCAUKKZ-UHFFFAOYSA-N 1 2 235.331 1.513 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2N(C)C)co1 ZINC000672970120 488270423 /nfs/dbraw/zinc/27/04/23/488270423.db2.gz MVJMHSDKNRHLFY-UHFFFAOYSA-N 1 2 245.282 1.723 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)F)C2)s1 ZINC000678629088 488272431 /nfs/dbraw/zinc/27/24/31/488272431.db2.gz FFOMAVDZYVCLLH-SSDOTTSWSA-N 1 2 233.287 1.934 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)F)C2)s1 ZINC000678629088 488272434 /nfs/dbraw/zinc/27/24/34/488272434.db2.gz FFOMAVDZYVCLLH-SSDOTTSWSA-N 1 2 233.287 1.934 20 0 BDADLO CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000684226220 488279975 /nfs/dbraw/zinc/27/99/75/488279975.db2.gz JAMOIESNEAZNNV-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)c2ccon2)[nH+]1 ZINC000678786362 488282862 /nfs/dbraw/zinc/28/28/62/488282862.db2.gz JEARMBAIEOKGSZ-SSDOTTSWSA-N 1 2 248.290 1.407 20 0 BDADLO Cc1nc(N[C@H](C)c2ccon2)nc(N(C)C)[nH+]1 ZINC000678786362 488282863 /nfs/dbraw/zinc/28/28/63/488282863.db2.gz JEARMBAIEOKGSZ-SSDOTTSWSA-N 1 2 248.290 1.407 20 0 BDADLO O=c1[nH]nc(C[N@H+](CC2CC2)CC2CCC2)[nH]1 ZINC000684628472 488335700 /nfs/dbraw/zinc/33/57/00/488335700.db2.gz LGBBJGTXVHOYKA-UHFFFAOYSA-N 1 2 236.319 1.522 20 0 BDADLO O=c1[nH]nc(C[N@@H+](CC2CC2)CC2CCC2)[nH]1 ZINC000684628472 488335702 /nfs/dbraw/zinc/33/57/02/488335702.db2.gz LGBBJGTXVHOYKA-UHFFFAOYSA-N 1 2 236.319 1.522 20 0 BDADLO CC1(F)CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000684324472 488289929 /nfs/dbraw/zinc/28/99/29/488289929.db2.gz QTNAXOYEJOIHHM-UHFFFAOYSA-N 1 2 233.246 1.518 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000684333956 488294310 /nfs/dbraw/zinc/29/43/10/488294310.db2.gz KUVMGSCXUIDCTP-MXWKQRLJSA-N 1 2 233.315 1.455 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000684360369 488300331 /nfs/dbraw/zinc/30/03/31/488300331.db2.gz CJJDCATVNNYTPC-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000684360369 488300334 /nfs/dbraw/zinc/30/03/34/488300334.db2.gz CJJDCATVNNYTPC-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000684360369 488300337 /nfs/dbraw/zinc/30/03/37/488300337.db2.gz CJJDCATVNNYTPC-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000684360369 488300339 /nfs/dbraw/zinc/30/03/39/488300339.db2.gz CJJDCATVNNYTPC-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO Cc1noc(C)c1[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000673671613 488302148 /nfs/dbraw/zinc/30/21/48/488302148.db2.gz KXGMLWCOZOHTMD-MRVPVSSYSA-N 1 2 248.286 1.365 20 0 BDADLO FC(F)n1ccnc1COCc1[nH]cc[nH+]1 ZINC000679008606 488302686 /nfs/dbraw/zinc/30/26/86/488302686.db2.gz DBGZSXXOJKGVTN-UHFFFAOYSA-N 1 2 228.202 1.718 20 0 BDADLO CC(C)[C@@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000679070148 488306290 /nfs/dbraw/zinc/30/62/90/488306290.db2.gz RVPDEBZJLJCRHI-LLVKDONJSA-N 1 2 237.347 1.967 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)Cc1cnn(C)c1 ZINC000679085993 488307142 /nfs/dbraw/zinc/30/71/42/488307142.db2.gz DHGJJUMODUYTQL-JTQLQIEISA-N 1 2 246.314 1.867 20 0 BDADLO CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673770513 488307492 /nfs/dbraw/zinc/30/74/92/488307492.db2.gz MFTIFLQBHJSRPD-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO Cn1ccc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000684429432 488311727 /nfs/dbraw/zinc/31/17/27/488311727.db2.gz UOWQQVQKBOFZDB-UHFFFAOYSA-N 1 2 215.247 1.651 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1F ZINC000679223657 488316303 /nfs/dbraw/zinc/31/63/03/488316303.db2.gz MBQNCHZHKJNGAW-ONGXEEELSA-N 1 2 228.311 1.287 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1F ZINC000679223657 488316305 /nfs/dbraw/zinc/31/63/05/488316305.db2.gz MBQNCHZHKJNGAW-ONGXEEELSA-N 1 2 228.311 1.287 20 0 BDADLO Cc1nc(NC(=O)CCc2c[nH+]c[nH]2)cs1 ZINC000684467959 488317554 /nfs/dbraw/zinc/31/75/54/488317554.db2.gz UWRXNVYPYUBFQO-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO Cc1nc(NC(=O)CCc2c[nH]c[nH+]2)cs1 ZINC000684467959 488317556 /nfs/dbraw/zinc/31/75/56/488317556.db2.gz UWRXNVYPYUBFQO-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679221701 488319712 /nfs/dbraw/zinc/31/97/12/488319712.db2.gz HAWBLTKCOMYMOK-GRYCIOLGSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679221701 488319714 /nfs/dbraw/zinc/31/97/14/488319714.db2.gz HAWBLTKCOMYMOK-GRYCIOLGSA-N 1 2 244.354 1.827 20 0 BDADLO c1cc(N2CC([C@@H]3CCOC3)C2)nc(C2CC2)[nH+]1 ZINC000684595201 488330249 /nfs/dbraw/zinc/33/02/49/488330249.db2.gz WCTAPEGCVFERKL-LLVKDONJSA-N 1 2 245.326 1.827 20 0 BDADLO FC(F)(F)[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000684617064 488332270 /nfs/dbraw/zinc/33/22/70/488332270.db2.gz IWZNCKHZFOVXJQ-QMMMGPOBSA-N 1 2 235.209 1.173 20 0 BDADLO FC(F)(F)[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000684617064 488332272 /nfs/dbraw/zinc/33/22/72/488332272.db2.gz IWZNCKHZFOVXJQ-QMMMGPOBSA-N 1 2 235.209 1.173 20 0 BDADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC=CCC1 ZINC000679324197 488338021 /nfs/dbraw/zinc/33/80/21/488338021.db2.gz OIDYVFQSNHPXEY-SNVBAGLBSA-N 1 2 232.287 1.066 20 0 BDADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC=CCC1 ZINC000679324197 488338023 /nfs/dbraw/zinc/33/80/23/488338023.db2.gz OIDYVFQSNHPXEY-SNVBAGLBSA-N 1 2 232.287 1.066 20 0 BDADLO COc1c(O)cccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000679333219 488340647 /nfs/dbraw/zinc/34/06/47/488340647.db2.gz GVGPWVAGMWWOSB-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1c(O)cccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000679333219 488340649 /nfs/dbraw/zinc/34/06/49/488340649.db2.gz GVGPWVAGMWWOSB-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO C=C/C(C)=C/CC(=O)NCc1[nH]cc[nH+]1 ZINC000684833192 488347460 /nfs/dbraw/zinc/34/74/60/488347460.db2.gz DVZFMYKOZWKWKS-RUDMXATFSA-N 1 2 205.261 1.548 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nnc2ccccn21 ZINC000079441920 490058459 /nfs/dbraw/zinc/05/84/59/490058459.db2.gz VMWDKIPWTUTUNX-JTQLQIEISA-N 1 2 234.303 1.196 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nnc2ccccn21 ZINC000079441920 490058460 /nfs/dbraw/zinc/05/84/60/490058460.db2.gz VMWDKIPWTUTUNX-JTQLQIEISA-N 1 2 234.303 1.196 20 0 BDADLO CC[C@@H](NC(=O)Cc1ccoc1)c1[nH]cc[nH+]1 ZINC000442793344 490374011 /nfs/dbraw/zinc/37/40/11/490374011.db2.gz AVAAMYAQHOSXKW-SNVBAGLBSA-N 1 2 233.271 1.813 20 0 BDADLO CC[N@H+](Cc1cncnc1)Cc1ccccn1 ZINC000124792590 490403241 /nfs/dbraw/zinc/40/32/41/490403241.db2.gz ZBNJWVUMOYKIIR-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1cncnc1)Cc1ccccn1 ZINC000124792590 490403244 /nfs/dbraw/zinc/40/32/44/490403244.db2.gz ZBNJWVUMOYKIIR-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079767887 490461148 /nfs/dbraw/zinc/46/11/48/490461148.db2.gz FBJDIENZLDRHSJ-SNVBAGLBSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079767887 490461152 /nfs/dbraw/zinc/46/11/52/490461152.db2.gz FBJDIENZLDRHSJ-SNVBAGLBSA-N 1 2 239.319 1.396 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053425286 491083096 /nfs/dbraw/zinc/08/30/96/491083096.db2.gz FHHOWPQLNIZHKH-KOLCDFICSA-N 1 2 236.315 1.581 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053425286 491083098 /nfs/dbraw/zinc/08/30/98/491083098.db2.gz FHHOWPQLNIZHKH-KOLCDFICSA-N 1 2 236.315 1.581 20 0 BDADLO Cc1ncc(C[NH+]2CC3(CC(F)C3)C2)n1C ZINC000668232552 491084717 /nfs/dbraw/zinc/08/47/17/491084717.db2.gz WLYVVPUJJIKOHE-UHFFFAOYSA-N 1 2 223.295 1.662 20 0 BDADLO CCOC1(C)C[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000668232558 491084735 /nfs/dbraw/zinc/08/47/35/491084735.db2.gz WNZGEJVSARMJFQ-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO FC(F)C1C[NH+](Cc2ccnn2CC2CC2)C1 ZINC000668232539 491084759 /nfs/dbraw/zinc/08/47/59/491084759.db2.gz VXINNXDVXRJWMD-UHFFFAOYSA-N 1 2 241.285 1.990 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cn(C)nc2C)nn1 ZINC000404512829 491101893 /nfs/dbraw/zinc/10/18/93/491101893.db2.gz SAQHBNIEJZNKNQ-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000605433772 491123323 /nfs/dbraw/zinc/12/33/23/491123323.db2.gz LMOBNOOZDUQOMR-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000395144542 491125388 /nfs/dbraw/zinc/12/53/88/491125388.db2.gz WEQLVUCMQFQBCY-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1csnn1 ZINC000395144542 491125389 /nfs/dbraw/zinc/12/53/89/491125389.db2.gz WEQLVUCMQFQBCY-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO CCc1cc(N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000125261792 491128945 /nfs/dbraw/zinc/12/89/45/491128945.db2.gz YFNAITPZTGHKFD-MRVPVSSYSA-N 1 2 217.276 1.935 20 0 BDADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H]1O ZINC000663764859 491132007 /nfs/dbraw/zinc/13/20/07/491132007.db2.gz PYNMGYMHTJHWKI-TVQRCGJNSA-N 1 2 243.310 1.634 20 0 BDADLO Cc1nc(N[C@H](C)CCS(C)(=O)=O)cc[nH+]1 ZINC000132205159 491134750 /nfs/dbraw/zinc/13/47/50/491134750.db2.gz GAFKLXNEOSQVGN-MRVPVSSYSA-N 1 2 243.332 1.020 20 0 BDADLO c1csc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)n1 ZINC000309631454 491153213 /nfs/dbraw/zinc/15/32/13/491153213.db2.gz RHDCGZVHJUFTIG-SECBINFHSA-N 1 2 234.328 1.513 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nccn2C)[nH]n1 ZINC000309741158 491155716 /nfs/dbraw/zinc/15/57/16/491155716.db2.gz DIPIEOMLVZYWEI-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000812622631 582557943 /nfs/dbraw/zinc/55/79/43/582557943.db2.gz AWTRKULXDCIWGF-GHMZBOCLSA-N 1 2 240.303 1.345 20 0 BDADLO CC1(C)C(C)(C)C1(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000891162661 582616872 /nfs/dbraw/zinc/61/68/72/582616872.db2.gz ICXLJDVYLRSNCD-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493259818 533809522 /nfs/dbraw/zinc/80/95/22/533809522.db2.gz BMMHAEUWCDLXJI-OKWQPMOJSA-N 1 2 219.288 1.680 20 0 BDADLO CCc1c[nH]c(CC(=O)NC/C=C/Cl)[nH+]1 ZINC000891201469 582626726 /nfs/dbraw/zinc/62/67/26/582626726.db2.gz MBUITLHIPHCPAZ-ONEGZZNKSA-N 1 2 227.695 1.383 20 0 BDADLO Cc1ccc(CN(C)C(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000492772061 533841886 /nfs/dbraw/zinc/84/18/86/533841886.db2.gz SLHYUUDSVPMWHL-XQRVVYSFSA-N 1 2 245.282 1.983 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492894190 533887723 /nfs/dbraw/zinc/88/77/23/533887723.db2.gz HDBGEASJJZJUTO-MXFLAHGMSA-N 1 2 233.315 1.975 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CNC(=O)O3)c(C)c1 ZINC000496502309 533914813 /nfs/dbraw/zinc/91/48/13/533914813.db2.gz WDWAMURZVKZJKU-UHFFFAOYSA-N 1 2 246.310 1.598 20 0 BDADLO Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493017075 533966439 /nfs/dbraw/zinc/96/64/39/533966439.db2.gz IBKWZMQRDOGODH-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2nncn2C)c(C)n1 ZINC000494784201 534080231 /nfs/dbraw/zinc/08/02/31/534080231.db2.gz JUVRKLNNWAGTNO-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO CC[C@@H](NC(=O)CCOC(C)C)c1[nH]cc[nH+]1 ZINC000347942844 535786121 /nfs/dbraw/zinc/78/61/21/535786121.db2.gz CJOAAFGJAUDBEN-SNVBAGLBSA-N 1 2 239.319 1.792 20 0 BDADLO CC[N@H+](CCOC)Cc1nccn1C1CC1 ZINC000891583525 582699490 /nfs/dbraw/zinc/69/94/90/582699490.db2.gz HOOBKHVONSCAPW-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO CC[N@@H+](CCOC)Cc1nccn1C1CC1 ZINC000891583525 582699491 /nfs/dbraw/zinc/69/94/91/582699491.db2.gz HOOBKHVONSCAPW-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO C[C@@H]1OCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000492869690 534156690 /nfs/dbraw/zinc/15/66/90/534156690.db2.gz VCITZGDXHLLNEK-CMIOBCHKSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812877 534204203 /nfs/dbraw/zinc/20/42/03/534204203.db2.gz NTOXTUVJRRSFLJ-RUSDJZDSSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)[C@@H](C)O1 ZINC000492809539 534274926 /nfs/dbraw/zinc/27/49/26/534274926.db2.gz GDQOYKLHEGDFGR-VMZVSEJASA-N 1 2 249.314 1.447 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCS1 ZINC000493196481 534275790 /nfs/dbraw/zinc/27/57/90/534275790.db2.gz XHSSJEQFMJYIBZ-GKQMSVHHSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@@H]1C[NH+](Cc2ncnn2CC(F)F)C[C@H]1C ZINC000488430856 534476285 /nfs/dbraw/zinc/47/62/85/534476285.db2.gz NNXRJYODKBPLMS-RKDXNWHRSA-N 1 2 244.289 1.631 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@H](CCCO)C1 ZINC000493844728 534787267 /nfs/dbraw/zinc/78/72/67/534787267.db2.gz AUUXOYWNVCWEPR-UFFNRZRYSA-N 1 2 249.314 1.044 20 0 BDADLO O=C(/C=C\C1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493478323 534787779 /nfs/dbraw/zinc/78/77/79/534787779.db2.gz AVDPBOBSZKSHSC-NWPZZWLHSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(C=CC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493478323 534787782 /nfs/dbraw/zinc/78/77/82/534787782.db2.gz AVDPBOBSZKSHSC-NWPZZWLHSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](CO)CC1 ZINC000493079917 534800673 /nfs/dbraw/zinc/80/06/73/534800673.db2.gz DNDNFKUQZJACKV-BYCRGOAPSA-N 1 2 249.314 1.044 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000492763300 534802540 /nfs/dbraw/zinc/80/25/40/534802540.db2.gz JCFSZBSLXUVZEC-ZMQQHQCJSA-N 1 2 247.298 1.107 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)CC1CCC1 ZINC000492809561 534803648 /nfs/dbraw/zinc/80/36/48/534803648.db2.gz GHJWQAUSIJYHSI-QMAVJUDZSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000493348228 534803657 /nfs/dbraw/zinc/80/36/57/534803657.db2.gz DNJIMZSYZSFCDH-YCBKHBRVSA-N 1 2 247.298 1.107 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccccc1O ZINC000492767558 534804417 /nfs/dbraw/zinc/80/44/17/534804417.db2.gz CSRDOVFNINTWSK-WAYWQWQTSA-N 1 2 229.239 1.767 20 0 BDADLO C[C@H](O)c1cccc(NCCC[S@@](C)=O)[nH+]1 ZINC000892449821 582889773 /nfs/dbraw/zinc/88/97/73/582889773.db2.gz ZURUZIPZGNJUGJ-XXFAHNHDSA-N 1 2 242.344 1.315 20 0 BDADLO CC(C)c1nc(N2CCN(C)C(=O)[C@@H]2C)cc[nH+]1 ZINC000302414960 534907198 /nfs/dbraw/zinc/90/71/98/534907198.db2.gz MBXGASJVOXMUEV-JTQLQIEISA-N 1 2 248.330 1.267 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348246709 536471915 /nfs/dbraw/zinc/47/19/15/536471915.db2.gz MHDUQMAEPUEJQW-BQBZGAKWSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348246709 536471916 /nfs/dbraw/zinc/47/19/16/536471916.db2.gz MHDUQMAEPUEJQW-BQBZGAKWSA-N 1 2 225.210 1.432 20 0 BDADLO CC(C)(CF)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812142 527064205 /nfs/dbraw/zinc/06/42/05/527064205.db2.gz MBKVVRXXRNUTIN-ONEGZZNKSA-N 1 2 211.240 1.287 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493325886 527818427 /nfs/dbraw/zinc/81/84/27/527818427.db2.gz SWEVNLKNURZMKQ-CFUOYWMPSA-N 1 2 219.288 1.728 20 0 BDADLO CC[N@H+](C/C=C\c1ccncc1)CC(=O)OC ZINC000494977838 527871046 /nfs/dbraw/zinc/87/10/46/527871046.db2.gz SXMLKVFEYMSNMP-PLNGDYQASA-N 1 2 234.299 1.590 20 0 BDADLO CC[N@@H+](C/C=C\c1ccncc1)CC(=O)OC ZINC000494977838 527871049 /nfs/dbraw/zinc/87/10/49/527871049.db2.gz SXMLKVFEYMSNMP-PLNGDYQASA-N 1 2 234.299 1.590 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180413437 536513739 /nfs/dbraw/zinc/51/37/39/536513739.db2.gz KDWRUMTWBHAZSF-UHFFFAOYSA-N 1 2 224.308 1.150 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000180413437 536513744 /nfs/dbraw/zinc/51/37/44/536513744.db2.gz KDWRUMTWBHAZSF-UHFFFAOYSA-N 1 2 224.308 1.150 20 0 BDADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493822901 527933843 /nfs/dbraw/zinc/93/38/43/527933843.db2.gz NBNYKWGAHZHREL-IHWYPQMZSA-N 1 2 205.261 1.339 20 0 BDADLO CCCN(CC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493172416 527946728 /nfs/dbraw/zinc/94/67/28/527946728.db2.gz QPEHEGVFEUBCPD-AATRIKPKSA-N 1 2 207.277 1.681 20 0 BDADLO CCN(CC(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493557797 527968526 /nfs/dbraw/zinc/96/85/26/527968526.db2.gz UAEKOIYPSTZBSA-ONEGZZNKSA-N 1 2 229.230 1.537 20 0 BDADLO CC1(CO)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493288993 527989813 /nfs/dbraw/zinc/98/98/13/527989813.db2.gz ODWYPKBYXAASHZ-NSCUHMNNSA-N 1 2 249.314 1.044 20 0 BDADLO CC1=C(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493396769 528084468 /nfs/dbraw/zinc/08/44/68/528084468.db2.gz FLEPOEVXERHBQC-ONEGZZNKSA-N 1 2 231.299 1.992 20 0 BDADLO CCC[C@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492807728 528452628 /nfs/dbraw/zinc/45/26/28/528452628.db2.gz BKUYUIWNXCPIOG-ZYOFXKKJSA-N 1 2 237.303 1.090 20 0 BDADLO CCO/C=C/C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000492929957 528462848 /nfs/dbraw/zinc/46/28/48/528462848.db2.gz VBDXBNYZTLPVBI-LHXVZLOVSA-N 1 2 249.314 1.424 20 0 BDADLO CCO/C=C/C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000493464863 528472845 /nfs/dbraw/zinc/47/28/45/528472845.db2.gz WWMANZMYPGEUON-VOTSOKGWSA-N 1 2 237.303 1.620 20 0 BDADLO CCO/C=C\C(=O)NCc1[nH+]ccn1CC ZINC000493328193 528530426 /nfs/dbraw/zinc/53/04/26/528530426.db2.gz WAZAMLDCJODICR-YVMONPNESA-N 1 2 223.276 1.069 20 0 BDADLO CCOCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493743488 528569276 /nfs/dbraw/zinc/56/92/76/528569276.db2.gz CXMGDFLSRINGNW-WAYWQWQTSA-N 1 2 237.303 1.354 20 0 BDADLO CC(C)[N@H+](C)Cc1ncnn1CC(F)F ZINC000488199940 528838428 /nfs/dbraw/zinc/83/84/28/528838428.db2.gz OERSWFDGAYEKOW-UHFFFAOYSA-N 1 2 218.251 1.383 20 0 BDADLO CC(C)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000488199940 528838434 /nfs/dbraw/zinc/83/84/34/528838434.db2.gz OERSWFDGAYEKOW-UHFFFAOYSA-N 1 2 218.251 1.383 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1ccncc1Cl ZINC000173480580 528870593 /nfs/dbraw/zinc/87/05/93/528870593.db2.gz ULDVAUGFXIHAIL-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1ccncc1Cl ZINC000173480580 528870599 /nfs/dbraw/zinc/87/05/99/528870599.db2.gz ULDVAUGFXIHAIL-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CC1(C)CC(=O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493208428 528880268 /nfs/dbraw/zinc/88/02/68/528880268.db2.gz PULUPUBYYSEZJO-ARJAWSKDSA-N 1 2 233.271 1.003 20 0 BDADLO CCN(C(=O)/C=C\c1[nH+]ccn1CC)C1COC1 ZINC000493028749 528911237 /nfs/dbraw/zinc/91/12/37/528911237.db2.gz VFRPHCGAQMICRH-WAYWQWQTSA-N 1 2 249.314 1.164 20 0 BDADLO CC1(C)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492862380 529001961 /nfs/dbraw/zinc/00/19/61/529001961.db2.gz KQMREPBLXXMCME-ARJAWSKDSA-N 1 2 219.288 1.681 20 0 BDADLO CCOC[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493166601 529022517 /nfs/dbraw/zinc/02/25/17/529022517.db2.gz ZCWVLSIYPUSUBQ-UFFNRZRYSA-N 1 2 249.314 1.308 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494262837 529120610 /nfs/dbraw/zinc/12/06/10/529120610.db2.gz SEEVKBKFIMAMOE-SNVBAGLBSA-N 1 2 248.317 1.878 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494262837 529120613 /nfs/dbraw/zinc/12/06/13/529120613.db2.gz SEEVKBKFIMAMOE-SNVBAGLBSA-N 1 2 248.317 1.878 20 0 BDADLO CC(C)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000505761697 529136793 /nfs/dbraw/zinc/13/67/93/529136793.db2.gz IRSSYBCTBKNWFC-JTQLQIEISA-N 1 2 236.319 1.579 20 0 BDADLO CC[C@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488379168 529202730 /nfs/dbraw/zinc/20/27/30/529202730.db2.gz KXDQSUVKPSUGRK-DTWKUNHWSA-N 1 2 237.351 1.514 20 0 BDADLO CC[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379168 529202732 /nfs/dbraw/zinc/20/27/32/529202732.db2.gz KXDQSUVKPSUGRK-DTWKUNHWSA-N 1 2 237.351 1.514 20 0 BDADLO CC[C@H]1COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813589 529306463 /nfs/dbraw/zinc/30/64/63/529306463.db2.gz PTDLFGWGQLIHRT-UFFNRZRYSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H](C)CONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493422838 529328527 /nfs/dbraw/zinc/32/85/27/529328527.db2.gz MVRFFJMVUGLDDR-XNPJLODASA-N 1 2 223.276 1.517 20 0 BDADLO CC[C@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000493058078 529359610 /nfs/dbraw/zinc/35/96/10/529359610.db2.gz HEGWMCFXTZYYBC-FOQNGQEVSA-N 1 2 237.303 1.354 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1CCOCC1CC1 ZINC000351502513 534942347 /nfs/dbraw/zinc/94/23/47/534942347.db2.gz LZHRABDAGOJEFO-MRXNPFEDSA-N 1 2 245.388 1.256 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1CCOCC1CC1 ZINC000351502513 534942354 /nfs/dbraw/zinc/94/23/54/534942354.db2.gz LZHRABDAGOJEFO-MRXNPFEDSA-N 1 2 245.388 1.256 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000352231244 535160766 /nfs/dbraw/zinc/16/07/66/535160766.db2.gz QLENPUGEWIYASU-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352231244 535160769 /nfs/dbraw/zinc/16/07/69/535160769.db2.gz QLENPUGEWIYASU-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000334648353 535165953 /nfs/dbraw/zinc/16/59/53/535165953.db2.gz UGZLISIDXWBTIZ-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301392164 535327204 /nfs/dbraw/zinc/32/72/04/535327204.db2.gz BHPKEZFKQLCZIT-NSHDSACASA-N 1 2 233.315 1.577 20 0 BDADLO CC[N@H+](Cc1nnc2n1CCCCC2)C1CC1 ZINC000342703172 535396310 /nfs/dbraw/zinc/39/63/10/535396310.db2.gz GTCYSNQJTFGPAO-UHFFFAOYSA-N 1 2 234.347 1.989 20 0 BDADLO CC[N@@H+](Cc1nnc2n1CCCCC2)C1CC1 ZINC000342703172 535396313 /nfs/dbraw/zinc/39/63/13/535396313.db2.gz GTCYSNQJTFGPAO-UHFFFAOYSA-N 1 2 234.347 1.989 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)[C@H]1OC ZINC000252787468 535409328 /nfs/dbraw/zinc/40/93/28/535409328.db2.gz QLXLZEQVAFAFTP-IJLUTSLNSA-N 1 2 239.319 1.000 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000181032755 535572276 /nfs/dbraw/zinc/57/22/76/535572276.db2.gz HDQMZKUFMQVEPL-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000181032755 535572280 /nfs/dbraw/zinc/57/22/80/535572280.db2.gz HDQMZKUFMQVEPL-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cncc(C)c1 ZINC000227301504 535783368 /nfs/dbraw/zinc/78/33/68/535783368.db2.gz ABPYWSAMOOJRCB-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cncc(C)c1 ZINC000227301504 535783369 /nfs/dbraw/zinc/78/33/69/535783369.db2.gz ABPYWSAMOOJRCB-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000342389783 535931645 /nfs/dbraw/zinc/93/16/45/535931645.db2.gz PBOWVXUCGCQIEN-DMDPSCGWSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184314744 535994819 /nfs/dbraw/zinc/99/48/19/535994819.db2.gz PFHYBJKRKCZKQF-QWRGUYRKSA-N 1 2 245.363 1.713 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@H]1F ZINC000335609457 536085635 /nfs/dbraw/zinc/08/56/35/536085635.db2.gz WGVSRRKQFVATFK-PWSUYJOCSA-N 1 2 222.263 1.753 20 0 BDADLO CC[C@H](C)CCC(=O)NCC[NH+]1CCOCC1 ZINC000349037758 536120019 /nfs/dbraw/zinc/12/00/19/536120019.db2.gz AYOVHDMAMZYADE-LBPRGKRZSA-N 1 2 242.363 1.261 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@](C)(OC)C2)[nH]1 ZINC000348242557 536132688 /nfs/dbraw/zinc/13/26/88/536132688.db2.gz RSIDPRGJTVCGKS-LBPRGKRZSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@](C)(OC)C2)[nH]1 ZINC000348242557 536132685 /nfs/dbraw/zinc/13/26/85/536132685.db2.gz RSIDPRGJTVCGKS-LBPRGKRZSA-N 1 2 238.335 1.368 20 0 BDADLO CC[C@H]1C[N@H+](CCNC(=O)C2CCC2)CCO1 ZINC000347660586 536143373 /nfs/dbraw/zinc/14/33/73/536143373.db2.gz ZRGJRWOAGWBDBC-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1C[N@@H+](CCNC(=O)C2CCC2)CCO1 ZINC000347660586 536143376 /nfs/dbraw/zinc/14/33/76/536143376.db2.gz ZRGJRWOAGWBDBC-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)nn2C)CCO1 ZINC000335306618 536153598 /nfs/dbraw/zinc/15/35/98/536153598.db2.gz ZSLICSIEAWUYAG-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)nn2C)CCO1 ZINC000335306618 536153602 /nfs/dbraw/zinc/15/36/02/536153602.db2.gz ZSLICSIEAWUYAG-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccco1 ZINC000260019945 536355178 /nfs/dbraw/zinc/35/51/78/536355178.db2.gz MSFJQPGLMALAAH-JTQLQIEISA-N 1 2 239.271 1.044 20 0 BDADLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccco1 ZINC000260019945 536355181 /nfs/dbraw/zinc/35/51/81/536355181.db2.gz MSFJQPGLMALAAH-JTQLQIEISA-N 1 2 239.271 1.044 20 0 BDADLO C[N@H+](CCO)Cc1nc(C2CC2)cs1 ZINC000342716142 536391768 /nfs/dbraw/zinc/39/17/68/536391768.db2.gz USERANYPYGMYFT-UHFFFAOYSA-N 1 2 212.318 1.445 20 0 BDADLO C[N@@H+](CCO)Cc1nc(C2CC2)cs1 ZINC000342716142 536391770 /nfs/dbraw/zinc/39/17/70/536391770.db2.gz USERANYPYGMYFT-UHFFFAOYSA-N 1 2 212.318 1.445 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351969088 536627990 /nfs/dbraw/zinc/62/79/90/536627990.db2.gz URABVVACHVYPFA-HBNTYKKESA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351969088 536627993 /nfs/dbraw/zinc/62/79/93/536627993.db2.gz URABVVACHVYPFA-HBNTYKKESA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)NCc1c[nH+]cn1C(C)C ZINC000085188040 536636785 /nfs/dbraw/zinc/63/67/85/536636785.db2.gz UMDCCPDFNMRPOJ-VIFPVBQESA-N 1 2 225.292 1.115 20 0 BDADLO COC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000264878855 536763776 /nfs/dbraw/zinc/76/37/76/536763776.db2.gz CHAWJILUONZKKI-LLVKDONJSA-N 1 2 206.289 1.944 20 0 BDADLO COc1ccc(N[C@@H](C)[C@@H]2CCOC2)[nH+]c1 ZINC000225835870 538114324 /nfs/dbraw/zinc/11/43/24/538114324.db2.gz OWAGSZJRZOUSRR-VHSXEESVSA-N 1 2 222.288 1.927 20 0 BDADLO FC[C@@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC001332152412 974979129 /nfs/dbraw/zinc/97/91/29/974979129.db2.gz UFEOEXWTDBLRBQ-QMMMGPOBSA-N 1 2 217.675 1.785 20 0 BDADLO FC[C@@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC001332152412 974979136 /nfs/dbraw/zinc/97/91/36/974979136.db2.gz UFEOEXWTDBLRBQ-QMMMGPOBSA-N 1 2 217.675 1.785 20 0 BDADLO Cc1cc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)ncn1 ZINC000661464036 566336956 /nfs/dbraw/zinc/33/69/56/566336956.db2.gz XBXMBKNZXLDEJC-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)ncn1 ZINC000661464036 566336964 /nfs/dbraw/zinc/33/69/64/566336964.db2.gz XBXMBKNZXLDEJC-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cc(C)ncn1 ZINC000390405082 566345112 /nfs/dbraw/zinc/34/51/12/566345112.db2.gz BIYSZZKMVDOLBL-UHFFFAOYSA-N 1 2 217.276 1.106 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cc(C)ncn1 ZINC000390405082 566345119 /nfs/dbraw/zinc/34/51/19/566345119.db2.gz BIYSZZKMVDOLBL-UHFFFAOYSA-N 1 2 217.276 1.106 20 0 BDADLO COC[C@H](CNc1cccc([C@H](C)O)[nH+]1)OC ZINC000893117654 583051449 /nfs/dbraw/zinc/05/14/49/583051449.db2.gz XLCICBKFYBAIIA-UWVGGRQHSA-N 1 2 240.303 1.208 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1cccc(C)n1 ZINC000564896116 566289642 /nfs/dbraw/zinc/28/96/42/566289642.db2.gz GISBPWCOUZEFLB-UHFFFAOYSA-N 1 2 236.315 1.474 20 0 BDADLO CCCSC[C@H](C)[NH2+]CC(F)(F)CO ZINC000893642650 583184542 /nfs/dbraw/zinc/18/45/42/583184542.db2.gz OXLIJDCLBNXOBR-QMMMGPOBSA-N 1 2 227.320 1.735 20 0 BDADLO CO[C@@H](C)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC000893846552 583231952 /nfs/dbraw/zinc/23/19/52/583231952.db2.gz MYAWBOMJABHIOK-VIFPVBQESA-N 1 2 224.308 1.014 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ocnc1C ZINC000893914974 583245931 /nfs/dbraw/zinc/24/59/31/583245931.db2.gz OFOBXEOPDADUEH-SNVBAGLBSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ocnc1C ZINC000893914974 583245935 /nfs/dbraw/zinc/24/59/35/583245935.db2.gz OFOBXEOPDADUEH-SNVBAGLBSA-N 1 2 238.287 1.511 20 0 BDADLO CCN(CC(=O)OC)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893998658 583271296 /nfs/dbraw/zinc/27/12/96/583271296.db2.gz LZHOJQRGIQUFBM-UHFFFAOYSA-N 1 2 239.319 1.528 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000894039861 583283745 /nfs/dbraw/zinc/28/37/45/583283745.db2.gz NBBQHCYYVOVELA-UVWXRNBGSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000894039861 583283747 /nfs/dbraw/zinc/28/37/47/583283747.db2.gz NBBQHCYYVOVELA-UVWXRNBGSA-N 1 2 241.356 1.929 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ocnc2C)C1 ZINC000894083819 583294930 /nfs/dbraw/zinc/29/49/30/583294930.db2.gz GOQGSEOUILOQJV-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO Cc1nn(C[N@H+](C)C[C@@H]2CC=CCC2)c(=O)o1 ZINC000853506174 588746779 /nfs/dbraw/zinc/74/67/79/588746779.db2.gz HNMZIQFBYUTWJP-LLVKDONJSA-N 1 2 237.303 1.390 20 0 BDADLO Cc1nn(C[N@@H+](C)C[C@@H]2CC=CCC2)c(=O)o1 ZINC000853506174 588746780 /nfs/dbraw/zinc/74/67/80/588746780.db2.gz HNMZIQFBYUTWJP-LLVKDONJSA-N 1 2 237.303 1.390 20 0 BDADLO Cc1nn(C[NH+]2CCC(C3CC3)CC2)c(=O)o1 ZINC000853516497 588747158 /nfs/dbraw/zinc/74/71/58/588747158.db2.gz VEXPOHHQUNZUOL-UHFFFAOYSA-N 1 2 237.303 1.224 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@H+](Cn1cc(Cl)cn1)C2 ZINC000853568061 588749123 /nfs/dbraw/zinc/74/91/23/588749123.db2.gz YPYUSWWTIUXUKF-GXSJLCMTSA-N 1 2 241.722 1.462 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@@H+](Cn1cc(Cl)cn1)C2 ZINC000853568061 588749124 /nfs/dbraw/zinc/74/91/24/588749124.db2.gz YPYUSWWTIUXUKF-GXSJLCMTSA-N 1 2 241.722 1.462 20 0 BDADLO Cc1cnc(N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000853650851 588752301 /nfs/dbraw/zinc/75/23/01/588752301.db2.gz LNBQQHOCTBZRRJ-VIFPVBQESA-N 1 2 215.260 1.538 20 0 BDADLO c1cn2c([nH+]1)[C@@H](Nc1ncccn1)CC2 ZINC000853651445 588752317 /nfs/dbraw/zinc/75/23/17/588752317.db2.gz XKIUBZNHQSSUOU-QMMMGPOBSA-N 1 2 201.233 1.230 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)COC(C)C)C1CCC1 ZINC000853658512 588753076 /nfs/dbraw/zinc/75/30/76/588753076.db2.gz MKISGWMQKUHVLO-NSHDSACASA-N 1 2 244.335 1.725 20 0 BDADLO CCc1cc(NC[C@@H]2CC(C)=NO2)nc[nH+]1 ZINC000853661501 588753563 /nfs/dbraw/zinc/75/35/63/588753563.db2.gz WMTAXNJWGKVIIG-JTQLQIEISA-N 1 2 220.276 1.616 20 0 BDADLO CCC(CC)CO[NH+]=C(N)[C@H](C)OC ZINC000853673583 588754732 /nfs/dbraw/zinc/75/47/32/588754732.db2.gz HAHRJCLUMBCQBZ-QMMMGPOBSA-N 1 2 202.298 1.956 20 0 BDADLO CCc1cc(N[C@H](C)C(OC)OC)nc[nH+]1 ZINC000853681054 588755532 /nfs/dbraw/zinc/75/55/32/588755532.db2.gz ORLZDBRRGVDEKO-MRVPVSSYSA-N 1 2 225.292 1.458 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCOC(F)F ZINC000853688383 588756520 /nfs/dbraw/zinc/75/65/20/588756520.db2.gz NPUIWBBRJDDRAS-UHFFFAOYSA-N 1 2 240.250 1.539 20 0 BDADLO C[N@@H+]1CCO[C@H](CSc2cnc(F)cn2)C1 ZINC000853706137 588758064 /nfs/dbraw/zinc/75/80/64/588758064.db2.gz IXFYDDJTWHMJOE-QMMMGPOBSA-N 1 2 243.307 1.038 20 0 BDADLO C[N@H+]1CCO[C@H](CSc2cnc(F)cn2)C1 ZINC000853706137 588758065 /nfs/dbraw/zinc/75/80/65/588758065.db2.gz IXFYDDJTWHMJOE-QMMMGPOBSA-N 1 2 243.307 1.038 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N[C@@H]2C=CCC2)c1 ZINC000853800398 588764110 /nfs/dbraw/zinc/76/41/10/588764110.db2.gz SADRIHDRVILHMX-LLVKDONJSA-N 1 2 232.283 1.928 20 0 BDADLO CCn1cc(CNc2cc3cc[nH]c3c[nH+]2)nn1 ZINC000853821476 588764791 /nfs/dbraw/zinc/76/47/91/588764791.db2.gz IANQXOFELCOACE-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO CCn1cc(CNc2cc[nH+]c(C(C)C)n2)nn1 ZINC000853821328 588764831 /nfs/dbraw/zinc/76/48/31/588764831.db2.gz AMVMGTKUJRTXNV-UHFFFAOYSA-N 1 2 246.318 1.824 20 0 BDADLO CC(C)[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC000112021100 588780511 /nfs/dbraw/zinc/78/05/11/588780511.db2.gz IJOTVJDNCODNKU-UHFFFAOYSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000854251045 588781978 /nfs/dbraw/zinc/78/19/78/588781978.db2.gz KLFCMSVHXYTIQX-LLVKDONJSA-N 1 2 243.310 1.872 20 0 BDADLO CCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345138 588794834 /nfs/dbraw/zinc/79/48/34/588794834.db2.gz AWWWQOAUFNCZBB-SNVBAGLBSA-N 1 2 223.320 1.824 20 0 BDADLO CCN(CC(C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854573833 588794985 /nfs/dbraw/zinc/79/49/85/588794985.db2.gz DABSIUBEECLDJX-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C[C@@H](NC(=O)c1cc(C=O)cn1C)c1[nH]cc[nH+]1 ZINC000854594189 588796390 /nfs/dbraw/zinc/79/63/90/588796390.db2.gz GNPPPJHRIUUXJP-MRVPVSSYSA-N 1 2 246.270 1.052 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc2c(n1)CCC2 ZINC000854851423 588813527 /nfs/dbraw/zinc/81/35/27/588813527.db2.gz PNDHIBJSKJSXEN-UHFFFAOYSA-N 1 2 242.282 1.475 20 0 BDADLO CO[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000854912957 588816621 /nfs/dbraw/zinc/81/66/21/588816621.db2.gz KVUZKKSGGWBEGJ-VHSXEESVSA-N 1 2 249.314 1.026 20 0 BDADLO CO[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CC(C)C ZINC000854952951 588818556 /nfs/dbraw/zinc/81/85/56/588818556.db2.gz QLAQFGOFOMZBCE-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C/C(C)(C)C ZINC000855134191 588822675 /nfs/dbraw/zinc/82/26/75/588822675.db2.gz IEFMWHGGLFJRJQ-AATRIKPKSA-N 1 2 221.304 1.970 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C/C(C)(C)C ZINC000855134191 588822676 /nfs/dbraw/zinc/82/26/76/588822676.db2.gz IEFMWHGGLFJRJQ-AATRIKPKSA-N 1 2 221.304 1.970 20 0 BDADLO CC(C)[C@H](F)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855137059 588823116 /nfs/dbraw/zinc/82/31/16/588823116.db2.gz WEIRXEHLTSDMRM-VIFPVBQESA-N 1 2 213.256 1.362 20 0 BDADLO CC(C)[C@H](F)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855137059 588823117 /nfs/dbraw/zinc/82/31/17/588823117.db2.gz WEIRXEHLTSDMRM-VIFPVBQESA-N 1 2 213.256 1.362 20 0 BDADLO Fc1ccc(C[NH+]2CCSCC2)cn1 ZINC000113151092 588825797 /nfs/dbraw/zinc/82/57/97/588825797.db2.gz QPFUUKZLCGOWLV-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806168438 582522953 /nfs/dbraw/zinc/52/29/53/582522953.db2.gz MKTWJDGZRNUYLY-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806168445 582523071 /nfs/dbraw/zinc/52/30/71/582523071.db2.gz MMSVSWQYLMWUPR-MRVPVSSYSA-N 1 2 249.318 1.525 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000890766860 582543288 /nfs/dbraw/zinc/54/32/88/582543288.db2.gz QGESVHXGWLQRIB-GHMZBOCLSA-N 1 2 219.288 1.354 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000855427440 588833999 /nfs/dbraw/zinc/83/39/99/588833999.db2.gz YZSJDWOILVCIFN-MNOVXSKESA-N 1 2 231.299 1.280 20 0 BDADLO Cc1ncccc1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000890829836 582577602 /nfs/dbraw/zinc/57/76/02/582577602.db2.gz NMAMTLCEGIFWFS-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)cn2)[C@@H](C)CO1 ZINC000844390662 582580734 /nfs/dbraw/zinc/58/07/34/582580734.db2.gz ZUFZBZMWOJJVME-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)[C@@H](C)CO1 ZINC000844390662 582580735 /nfs/dbraw/zinc/58/07/35/582580735.db2.gz ZUFZBZMWOJJVME-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC/C=C/Cl ZINC000891200737 582626621 /nfs/dbraw/zinc/62/66/21/582626621.db2.gz FYEUCNGCTICJAZ-NSCUHMNNSA-N 1 2 213.668 1.129 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1(C2CC2)CC1 ZINC000891154827 582616278 /nfs/dbraw/zinc/61/62/78/582616278.db2.gz LQFUIPMLGUSLFH-UHFFFAOYSA-N 1 2 246.310 1.897 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)CCc1ccco1 ZINC000846091429 582645029 /nfs/dbraw/zinc/64/50/29/582645029.db2.gz MHZDFPRWQMIJPX-JTQLQIEISA-N 1 2 240.303 1.258 20 0 BDADLO CC(C)(NC(=O)c1ccnc(F)c1)c1[nH]cc[nH+]1 ZINC000846244930 582653733 /nfs/dbraw/zinc/65/37/33/582653733.db2.gz ARHNDQFBMYWAQZ-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCc2ccco2)c1 ZINC000891404735 582679016 /nfs/dbraw/zinc/67/90/16/582679016.db2.gz MKAUMLDEKYIJDL-UHFFFAOYSA-N 1 2 234.259 1.013 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccco2)nc[nH+]1 ZINC000891492308 582693253 /nfs/dbraw/zinc/69/32/53/582693253.db2.gz FKVRWWPSDXBGFD-UHFFFAOYSA-N 1 2 232.287 1.772 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccco2)[nH+]cn1 ZINC000891492308 582693255 /nfs/dbraw/zinc/69/32/55/582693255.db2.gz FKVRWWPSDXBGFD-UHFFFAOYSA-N 1 2 232.287 1.772 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891543591 582696058 /nfs/dbraw/zinc/69/60/58/582696058.db2.gz SXSNSBFNOAZZBZ-SNVBAGLBSA-N 1 2 235.331 1.130 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891543591 582696059 /nfs/dbraw/zinc/69/60/59/582696059.db2.gz SXSNSBFNOAZZBZ-SNVBAGLBSA-N 1 2 235.331 1.130 20 0 BDADLO COC(=O)[C@@H]1CCCN1Cc1[nH+]ccn1C1CC1 ZINC000891553873 582696854 /nfs/dbraw/zinc/69/68/54/582696854.db2.gz QSOIZXOMHBWLNI-NSHDSACASA-N 1 2 249.314 1.355 20 0 BDADLO CC[N@H+](CCOC)Cc1c(Cl)c(C)nn1C ZINC000891583260 582699925 /nfs/dbraw/zinc/69/99/25/582699925.db2.gz BWMZMLACQTYVOO-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CC[N@@H+](CCOC)Cc1c(Cl)c(C)nn1C ZINC000891583260 582699927 /nfs/dbraw/zinc/69/99/27/582699927.db2.gz BWMZMLACQTYVOO-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CCc1cc(N[C@H](C)CO)nc(CC)[nH+]1 ZINC000891685278 582710199 /nfs/dbraw/zinc/71/01/99/582710199.db2.gz XAQFELNCQDSOBD-MRVPVSSYSA-N 1 2 209.293 1.394 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000891717204 582713516 /nfs/dbraw/zinc/71/35/16/582713516.db2.gz ZIEUHZXCHIQGPG-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000891717204 582713517 /nfs/dbraw/zinc/71/35/17/582713517.db2.gz ZIEUHZXCHIQGPG-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccc2c1OCC2 ZINC000891735798 582715299 /nfs/dbraw/zinc/71/52/99/582715299.db2.gz AQLLVBPMQUMGFK-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccc2c1OCC2 ZINC000891735798 582715301 /nfs/dbraw/zinc/71/53/01/582715301.db2.gz AQLLVBPMQUMGFK-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CNc1cc(NC[C@@H](O)c2ccco2)[nH+]cn1 ZINC000891778290 582719108 /nfs/dbraw/zinc/71/91/08/582719108.db2.gz LYKSMUAWHSWGJY-MRVPVSSYSA-N 1 2 234.259 1.257 20 0 BDADLO COCc1nccc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000891783264 582720507 /nfs/dbraw/zinc/72/05/07/582720507.db2.gz CBJUWTJXGJBLFA-SNVBAGLBSA-N 1 2 247.302 1.320 20 0 BDADLO C[C@@H](O)c1cccc(NCCn2cccn2)[nH+]1 ZINC000891952996 582744979 /nfs/dbraw/zinc/74/49/79/582744979.db2.gz UHZMBZLIHOXCBX-SNVBAGLBSA-N 1 2 232.287 1.444 20 0 BDADLO Cc1cc(N(C)C[C@@H](C)O)nc(C2CCC2)[nH+]1 ZINC000892005498 582759456 /nfs/dbraw/zinc/75/94/56/582759456.db2.gz VWPNZARQGSTYMA-SNVBAGLBSA-N 1 2 235.331 1.870 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnn(C2CCC2)c1 ZINC000892048741 582773795 /nfs/dbraw/zinc/77/37/95/582773795.db2.gz BEKVTQXMZMJDGF-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnn(C2CCC2)c1 ZINC000892048741 582773797 /nfs/dbraw/zinc/77/37/97/582773797.db2.gz BEKVTQXMZMJDGF-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO COc1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(C)c1 ZINC000892058894 582778863 /nfs/dbraw/zinc/77/88/63/582778863.db2.gz LZJRGWZNKLDTIR-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO COc1ccc(C[N@H+]2CCN(C)C(=O)C2)c(C)c1 ZINC000892058894 582778866 /nfs/dbraw/zinc/77/88/66/582778866.db2.gz LZJRGWZNKLDTIR-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nccn1C1CC1 ZINC000892077017 582786695 /nfs/dbraw/zinc/78/66/95/582786695.db2.gz KZIKPVSXRYBCPS-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nccn1C1CC1 ZINC000892077017 582786697 /nfs/dbraw/zinc/78/66/97/582786697.db2.gz KZIKPVSXRYBCPS-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCC[C@@H]2O)[nH+]cn1 ZINC000892244167 582812802 /nfs/dbraw/zinc/81/28/02/582812802.db2.gz HKJBUJLRTJERDE-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000892244167 582812803 /nfs/dbraw/zinc/81/28/03/582812803.db2.gz HKJBUJLRTJERDE-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892253503 582813855 /nfs/dbraw/zinc/81/38/55/582813855.db2.gz CSWZISYVDXREHW-SECBINFHSA-N 1 2 202.261 1.576 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000111690058 582818159 /nfs/dbraw/zinc/81/81/59/582818159.db2.gz FRIIHFUOYNNYFF-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000111690058 582818160 /nfs/dbraw/zinc/81/81/60/582818160.db2.gz FRIIHFUOYNNYFF-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@@H]1C[N@H+](CCNc2cccc(F)n2)CCO1 ZINC000725790335 582854126 /nfs/dbraw/zinc/85/41/26/582854126.db2.gz WRDZHGPBCOUAAH-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@@H]1C[N@@H+](CCNc2cccc(F)n2)CCO1 ZINC000725790335 582854128 /nfs/dbraw/zinc/85/41/28/582854128.db2.gz WRDZHGPBCOUAAH-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO CNc1cc(NCCOc2cccnc2)[nH+]cn1 ZINC000892533084 582907140 /nfs/dbraw/zinc/90/71/40/582907140.db2.gz XJRVHOOLHCJZMZ-UHFFFAOYSA-N 1 2 245.286 1.404 20 0 BDADLO C[C@H](O)c1cccc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000892558672 582913703 /nfs/dbraw/zinc/91/37/03/582913703.db2.gz ATLNOSNYUOWLNV-VIFPVBQESA-N 1 2 232.287 1.494 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000782597555 582919068 /nfs/dbraw/zinc/91/90/68/582919068.db2.gz QNJDIBASPYCGOM-LBPRGKRZSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000782597555 582919070 /nfs/dbraw/zinc/91/90/70/582919070.db2.gz QNJDIBASPYCGOM-LBPRGKRZSA-N 1 2 232.327 1.658 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000892642229 582936517 /nfs/dbraw/zinc/93/65/17/582936517.db2.gz OKCWDENKQPMJBQ-ZJUUUORDSA-N 1 2 216.288 1.964 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccccc2CO)s1 ZINC000892672941 582947642 /nfs/dbraw/zinc/94/76/42/582947642.db2.gz ZYLCOYMTALKMLB-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO CC1(C)CCN(c2nccn3c[nH+]cc23)C1 ZINC000892721416 582968684 /nfs/dbraw/zinc/96/86/84/582968684.db2.gz MVHMSFYOLHBVAP-UHFFFAOYSA-N 1 2 216.288 1.966 20 0 BDADLO C[C@@H](NC(=O)C1=COCCC1)c1[nH+]ccn1C ZINC000856278224 588866499 /nfs/dbraw/zinc/86/64/99/588866499.db2.gz ZOPPNRMWJKVQAJ-SECBINFHSA-N 1 2 235.287 1.292 20 0 BDADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1C ZINC000892737509 582972381 /nfs/dbraw/zinc/97/23/81/582972381.db2.gz DLCUZMXSWHTSRP-UWVGGRQHSA-N 1 2 216.288 1.822 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281255 588866767 /nfs/dbraw/zinc/86/67/67/588866767.db2.gz NGDPQFXCBGDFBZ-RAJVOEEQSA-N 1 2 221.304 1.954 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279879 588866897 /nfs/dbraw/zinc/86/68/97/588866897.db2.gz HESVYZLVZQPOEH-IUCAKERBSA-N 1 2 227.283 1.591 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCC=CO1)c1[nH+]ccn1C ZINC000856280071 588866986 /nfs/dbraw/zinc/86/69/86/588866986.db2.gz ISFOQMRKWUIVLD-VHSXEESVSA-N 1 2 235.287 1.290 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)nc1 ZINC000856282104 588867089 /nfs/dbraw/zinc/86/70/89/588867089.db2.gz UNMQEBZMSAMTGW-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CNc1cc(N2CC[C@@H]([C@H]3CCOC3)C2)nc[nH+]1 ZINC000892950037 583016848 /nfs/dbraw/zinc/01/68/48/583016848.db2.gz KNXJBJVAMSVNPB-MNOVXSKESA-N 1 2 248.330 1.381 20 0 BDADLO CNc1cc(N2CC[C@@H]([C@H]3CCOC3)C2)[nH+]cn1 ZINC000892950037 583016850 /nfs/dbraw/zinc/01/68/50/583016850.db2.gz KNXJBJVAMSVNPB-MNOVXSKESA-N 1 2 248.330 1.381 20 0 BDADLO CN(C[C@H]1CCC[C@H]1O)c1nccn2c[nH+]cc12 ZINC000892980494 583024518 /nfs/dbraw/zinc/02/45/18/583024518.db2.gz MCKUPKSOBHOWQR-ZYHUDNBSSA-N 1 2 246.314 1.327 20 0 BDADLO CCC[C@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000893018418 583030040 /nfs/dbraw/zinc/03/00/40/583030040.db2.gz LBVKHROHPGZGMI-NSHDSACASA-N 1 2 246.314 1.735 20 0 BDADLO C[C@@H](O)c1cccc(NCc2ccn(C)n2)[nH+]1 ZINC000893050428 583036947 /nfs/dbraw/zinc/03/69/47/583036947.db2.gz KDLDAOOOHYBISQ-SECBINFHSA-N 1 2 232.287 1.481 20 0 BDADLO COc1ccc2ccc(N3CC(CO)C3)[nH+]c2c1 ZINC000893141519 583056446 /nfs/dbraw/zinc/05/64/46/583056446.db2.gz SUKVSOYAAGGGSP-UHFFFAOYSA-N 1 2 244.294 1.672 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CC[C@@H](OC)C2)n1 ZINC000854132101 583075339 /nfs/dbraw/zinc/07/53/39/583075339.db2.gz LESIVORAWMPKSG-RKDXNWHRSA-N 1 2 225.292 1.462 20 0 BDADLO COCC1=CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000893251393 583078056 /nfs/dbraw/zinc/07/80/56/583078056.db2.gz LOJPBPYSVKGVIQ-UHFFFAOYSA-N 1 2 248.330 1.326 20 0 BDADLO COCC1=CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000893251393 583078058 /nfs/dbraw/zinc/07/80/58/583078058.db2.gz LOJPBPYSVKGVIQ-UHFFFAOYSA-N 1 2 248.330 1.326 20 0 BDADLO CC(C)c1[nH+]ccn1CCNC(=O)C(F)(F)F ZINC000725892993 583080826 /nfs/dbraw/zinc/08/08/26/583080826.db2.gz RZFYOFUJAZVQQQ-UHFFFAOYSA-N 1 2 249.236 1.685 20 0 BDADLO CCc1cc(N2CC[C@@H](O)[C@H](C)C2)nc(CC)[nH+]1 ZINC000893268643 583081037 /nfs/dbraw/zinc/08/10/37/583081037.db2.gz HGRUIPLXINGKIB-ZYHUDNBSSA-N 1 2 249.358 1.809 20 0 BDADLO CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)C1 ZINC000112022286 583083608 /nfs/dbraw/zinc/08/36/08/583083608.db2.gz DXQYULHAPFNQJE-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)C1 ZINC000112022286 583083611 /nfs/dbraw/zinc/08/36/11/583083611.db2.gz DXQYULHAPFNQJE-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO O=C(NOCC1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000856346909 588869164 /nfs/dbraw/zinc/86/91/64/588869164.db2.gz UPOVMGIGMWDNJH-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)nc2Cl)on1 ZINC000856769750 583123820 /nfs/dbraw/zinc/12/38/20/583123820.db2.gz ZTHBHNVVQVPNCY-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO CN(C)c1cc(NC[C@H]2CC[C@H](O)C2)[nH+]cn1 ZINC000893435260 583142841 /nfs/dbraw/zinc/14/28/41/583142841.db2.gz QFVYMHUURRQLQI-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000893435260 583142842 /nfs/dbraw/zinc/14/28/42/583142842.db2.gz QFVYMHUURRQLQI-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1cncnc1 ZINC000893522920 583156826 /nfs/dbraw/zinc/15/68/26/583156826.db2.gz HYDUBFIHUNTBML-SNVBAGLBSA-N 1 2 244.254 1.283 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)CCCF ZINC000893533607 583158374 /nfs/dbraw/zinc/15/83/74/583158374.db2.gz XVHLPZFKVGMVCG-SECBINFHSA-N 1 2 226.251 1.929 20 0 BDADLO CCc1cc(N2C[C@@H](O)C(C)(C)C2)nc(CC)[nH+]1 ZINC000893583370 583167132 /nfs/dbraw/zinc/16/71/32/583167132.db2.gz YILVFAQADLLORF-LLVKDONJSA-N 1 2 249.358 1.809 20 0 BDADLO Cc1cccc(CCNc2cnc(CO)cn2)[nH+]1 ZINC000893589768 583168061 /nfs/dbraw/zinc/16/80/61/583168061.db2.gz MDILDIWTPGIEON-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO COC/C=C\C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000866896011 583171923 /nfs/dbraw/zinc/17/19/23/583171923.db2.gz MRYUYNGSMRWQGP-WAYWQWQTSA-N 1 2 249.314 1.597 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cn(C)nc2Cl)C1 ZINC000857022700 588883005 /nfs/dbraw/zinc/88/30/05/588883005.db2.gz RPRYDCWSWXQEBI-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cn(C)nc2Cl)C1 ZINC000857022700 588883006 /nfs/dbraw/zinc/88/30/06/588883006.db2.gz RPRYDCWSWXQEBI-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO CC1=CCCN(c2nc(N)[nH+]c(C(C)(C)C)n2)C1 ZINC000893663123 583190603 /nfs/dbraw/zinc/19/06/03/583190603.db2.gz CHXNGLGZZYYVPW-UHFFFAOYSA-N 1 2 247.346 1.908 20 0 BDADLO F[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893677694 583196405 /nfs/dbraw/zinc/19/64/05/583196405.db2.gz XIDAKMAGOBJMHF-SECBINFHSA-N 1 2 220.251 1.668 20 0 BDADLO Cc1nccnc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000857038975 588883661 /nfs/dbraw/zinc/88/36/61/588883661.db2.gz JQMNAFARDWDXNE-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cn1ncc(C[NH+]2CC(C)(c3ccccc3)C2)n1 ZINC000857058705 588884549 /nfs/dbraw/zinc/88/45/49/588884549.db2.gz RZSFYZVVGSUHBQ-UHFFFAOYSA-N 1 2 242.326 1.589 20 0 BDADLO CO[C@@H](C)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000893846552 583231950 /nfs/dbraw/zinc/23/19/50/583231950.db2.gz MYAWBOMJABHIOK-VIFPVBQESA-N 1 2 224.308 1.014 20 0 BDADLO CNc1cc(N2CC[C@H](n3cccn3)C2)nc[nH+]1 ZINC000893933006 583251331 /nfs/dbraw/zinc/25/13/31/583251331.db2.gz SHTHKCSYBRSHIC-JTQLQIEISA-N 1 2 244.302 1.166 20 0 BDADLO CNc1cc(N2CC[C@H](n3cccn3)C2)[nH+]cn1 ZINC000893933006 583251333 /nfs/dbraw/zinc/25/13/33/583251333.db2.gz SHTHKCSYBRSHIC-JTQLQIEISA-N 1 2 244.302 1.166 20 0 BDADLO CC(C)c1c[nH]c(CN2CCOC[C@H]2C)[nH+]1 ZINC000893961967 583256630 /nfs/dbraw/zinc/25/66/30/583256630.db2.gz HSLSILCIPJXXSU-SNVBAGLBSA-N 1 2 223.320 1.754 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1ncnn1C ZINC000893963239 583256941 /nfs/dbraw/zinc/25/69/41/583256941.db2.gz CCCUBLGUMHACSV-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO COC(=O)[C@H](NCc1[nH+]ccn1C1CC1)C1CC1 ZINC000893950337 583260153 /nfs/dbraw/zinc/26/01/53/583260153.db2.gz AULMWLCYAKDHIK-GFCCVEGCSA-N 1 2 249.314 1.259 20 0 BDADLO CCCCC[C@H]([NH2+][C@H](C)CCO)C(=O)OC ZINC000893955917 583261679 /nfs/dbraw/zinc/26/16/79/583261679.db2.gz VHZQGOQMWKJCRW-MNOVXSKESA-N 1 2 231.336 1.469 20 0 BDADLO Cc1coc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000893983332 583269236 /nfs/dbraw/zinc/26/92/36/583269236.db2.gz ASFWNDXINHQTIG-LLVKDONJSA-N 1 2 234.299 1.395 20 0 BDADLO Cc1coc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000893983332 583269238 /nfs/dbraw/zinc/26/92/38/583269238.db2.gz ASFWNDXINHQTIG-LLVKDONJSA-N 1 2 234.299 1.395 20 0 BDADLO CC/C=C/CNc1cc(N(C)C)nc[nH+]1 ZINC000894045653 583286612 /nfs/dbraw/zinc/28/66/12/583286612.db2.gz ICJGYLLIMPEXLW-AATRIKPKSA-N 1 2 206.293 1.921 20 0 BDADLO CC/C=C/CNc1cc(N(C)C)[nH+]cn1 ZINC000894045653 583286614 /nfs/dbraw/zinc/28/66/14/583286614.db2.gz ICJGYLLIMPEXLW-AATRIKPKSA-N 1 2 206.293 1.921 20 0 BDADLO CCc1cc(N2CCC[C@@H](O)[C@H]2C)nc(CC)[nH+]1 ZINC000894051322 583289297 /nfs/dbraw/zinc/28/92/97/583289297.db2.gz GBNFFCYYDZJUKP-ZYHUDNBSSA-N 1 2 249.358 1.951 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ocnc2C)C1 ZINC000894083819 583294927 /nfs/dbraw/zinc/29/49/27/583294927.db2.gz GOQGSEOUILOQJV-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335880 583309936 /nfs/dbraw/zinc/30/99/36/583309936.db2.gz FNLRKNWZKUJTGL-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337461 583310314 /nfs/dbraw/zinc/31/03/14/583310314.db2.gz YAVQPWAXFMZPHK-LFJXOHPOSA-N 1 2 233.315 1.670 20 0 BDADLO CC[C@H](Nc1cccc([C@H](C)O)[nH+]1)C(=O)NC ZINC000894128195 583312400 /nfs/dbraw/zinc/31/24/00/583312400.db2.gz QMYFIUMQBDCKKO-IUCAKERBSA-N 1 2 237.303 1.071 20 0 BDADLO CNc1cc(N2CCO[C@H](C3CCC3)C2)nc[nH+]1 ZINC000894182466 583330502 /nfs/dbraw/zinc/33/05/02/583330502.db2.gz OXTKLTAHBFYTBR-NSHDSACASA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CCO[C@H](C3CCC3)C2)[nH+]cn1 ZINC000894182466 583330503 /nfs/dbraw/zinc/33/05/03/583330503.db2.gz OXTKLTAHBFYTBR-NSHDSACASA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)CS1 ZINC000894193915 583333990 /nfs/dbraw/zinc/33/39/90/583333990.db2.gz ICMJMDZPNJHGJN-IUCAKERBSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)CS1 ZINC000894193915 583333991 /nfs/dbraw/zinc/33/39/91/583333991.db2.gz ICMJMDZPNJHGJN-IUCAKERBSA-N 1 2 238.360 1.849 20 0 BDADLO Cc1cc(NC(=O)c2cnsn2)c(C)c[nH+]1 ZINC000747111245 583338475 /nfs/dbraw/zinc/33/84/75/583338475.db2.gz GYQCRKYNWSVQHH-UHFFFAOYSA-N 1 2 234.284 1.224 20 0 BDADLO Fc1ccc(Cn2cc[nH+]c2)c(-c2nn[nH]n2)c1 ZINC000737659576 583352237 /nfs/dbraw/zinc/35/22/37/583352237.db2.gz JNRLYCDPELEDMH-UHFFFAOYSA-N 1 2 244.233 1.251 20 0 BDADLO Cc1conc1C[N@H+](C)CCOCC1CC1 ZINC000878186748 583366085 /nfs/dbraw/zinc/36/60/85/583366085.db2.gz VJRKBJVLIVEHBN-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1conc1C[N@@H+](C)CCOCC1CC1 ZINC000878186748 583366086 /nfs/dbraw/zinc/36/60/86/583366086.db2.gz VJRKBJVLIVEHBN-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1cc(CNc2cnc(CO)cn2)cc(C)[nH+]1 ZINC000894238928 583386602 /nfs/dbraw/zinc/38/66/02/583386602.db2.gz KPVAMJYDOXUEAS-UHFFFAOYSA-N 1 2 244.298 1.593 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000878670512 583391607 /nfs/dbraw/zinc/39/16/07/583391607.db2.gz XTZWFAAYVKFPFG-SNVBAGLBSA-N 1 2 232.230 1.185 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000878670512 583391610 /nfs/dbraw/zinc/39/16/10/583391610.db2.gz XTZWFAAYVKFPFG-SNVBAGLBSA-N 1 2 232.230 1.185 20 0 BDADLO OC[C@]1(F)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894281190 583408609 /nfs/dbraw/zinc/40/86/09/583408609.db2.gz PDEIHWNBIPAQIF-LBPRGKRZSA-N 1 2 239.294 1.124 20 0 BDADLO O=C1CCN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000857231279 588897189 /nfs/dbraw/zinc/89/71/89/588897189.db2.gz CGOKZLAOKMXJJK-GFCCVEGCSA-N 1 2 231.299 1.408 20 0 BDADLO O=C1CCN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000857231279 588897191 /nfs/dbraw/zinc/89/71/91/588897191.db2.gz CGOKZLAOKMXJJK-GFCCVEGCSA-N 1 2 231.299 1.408 20 0 BDADLO CCC1(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000333684736 583417854 /nfs/dbraw/zinc/41/78/54/583417854.db2.gz BGPKFTOQKAXUQQ-SECBINFHSA-N 1 2 248.330 1.509 20 0 BDADLO CCC1(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000333684736 583417857 /nfs/dbraw/zinc/41/78/57/583417857.db2.gz BGPKFTOQKAXUQQ-SECBINFHSA-N 1 2 248.330 1.509 20 0 BDADLO O=C1CCN1C[NH+]1Cc2ccccc2C1 ZINC000857232180 588897600 /nfs/dbraw/zinc/89/76/00/588897600.db2.gz PVULMZPVIPLNHI-UHFFFAOYSA-N 1 2 202.257 1.192 20 0 BDADLO Cc1cc[nH+]c(N)c1CNCc1ccon1 ZINC000894324591 583422595 /nfs/dbraw/zinc/42/25/95/583422595.db2.gz JJNIUISKWICUCZ-UHFFFAOYSA-N 1 2 218.260 1.250 20 0 BDADLO O=C1CCN1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000857232517 588897740 /nfs/dbraw/zinc/89/77/40/588897740.db2.gz DIULNHWXRCNXBG-NSHDSACASA-N 1 2 248.301 1.805 20 0 BDADLO O=C1CCN1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000857232517 588897742 /nfs/dbraw/zinc/89/77/42/588897742.db2.gz DIULNHWXRCNXBG-NSHDSACASA-N 1 2 248.301 1.805 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2cnsn2)C1 ZINC000879325094 583425274 /nfs/dbraw/zinc/42/52/74/583425274.db2.gz LCAFHCNCJPWDQT-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cnsn2)C1 ZINC000879325094 583425277 /nfs/dbraw/zinc/42/52/77/583425277.db2.gz LCAFHCNCJPWDQT-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1c[nH]cn1 ZINC000894359404 583436370 /nfs/dbraw/zinc/43/63/70/583436370.db2.gz NQYRQNRHQUFUAD-UHFFFAOYSA-N 1 2 247.346 1.558 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563242 583438451 /nfs/dbraw/zinc/43/84/51/583438451.db2.gz BSFRTHPKUCERLW-UWVGGRQHSA-N 1 2 238.360 1.032 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563242 583438455 /nfs/dbraw/zinc/43/84/55/583438455.db2.gz BSFRTHPKUCERLW-UWVGGRQHSA-N 1 2 238.360 1.032 20 0 BDADLO C[C@@H]1COc2ccccc2C[N@@H+]1CN1CCC1=O ZINC000857235043 588899240 /nfs/dbraw/zinc/89/92/40/588899240.db2.gz XYNLUUVKUDQXLO-LLVKDONJSA-N 1 2 246.310 1.459 20 0 BDADLO C[C@@H]1COc2ccccc2C[N@H+]1CN1CCC1=O ZINC000857235043 588899242 /nfs/dbraw/zinc/89/92/42/588899242.db2.gz XYNLUUVKUDQXLO-LLVKDONJSA-N 1 2 246.310 1.459 20 0 BDADLO C[C@@H](O)c1cccc(NCCN2CCCC2=O)[nH+]1 ZINC000894391742 583446018 /nfs/dbraw/zinc/44/60/18/583446018.db2.gz RQYSALSTDLVVOF-SNVBAGLBSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1cccc([C@H]2CCC[N@@H+]2CN2CCC2=O)n1 ZINC000857236047 588899659 /nfs/dbraw/zinc/89/96/59/588899659.db2.gz XCDPYKZACVFBRF-CYBMUJFWSA-N 1 2 245.326 1.717 20 0 BDADLO Cc1cccc([C@H]2CCC[N@H+]2CN2CCC2=O)n1 ZINC000857236047 588899661 /nfs/dbraw/zinc/89/96/61/588899661.db2.gz XCDPYKZACVFBRF-CYBMUJFWSA-N 1 2 245.326 1.717 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](CO)CCF)[nH+]1 ZINC000894401727 583449918 /nfs/dbraw/zinc/44/99/18/583449918.db2.gz DXKSMHQMOOPQFV-DTWKUNHWSA-N 1 2 228.267 1.267 20 0 BDADLO C[C@H](O)c1cccc(N(C)[C@@H](C)CCO)[nH+]1 ZINC000894405569 583450088 /nfs/dbraw/zinc/45/00/88/583450088.db2.gz FPARCYLZSQMKJX-UWVGGRQHSA-N 1 2 224.304 1.342 20 0 BDADLO CNc1cc(N2CC[C@@]3(CC3(F)F)C2)nc[nH+]1 ZINC000894408984 583450444 /nfs/dbraw/zinc/45/04/44/583450444.db2.gz YZAYURBEFOFGPQ-SNVBAGLBSA-N 1 2 240.257 1.754 20 0 BDADLO CNc1cc(N2CC[C@@]3(CC3(F)F)C2)[nH+]cn1 ZINC000894408984 583450447 /nfs/dbraw/zinc/45/04/47/583450447.db2.gz YZAYURBEFOFGPQ-SNVBAGLBSA-N 1 2 240.257 1.754 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1C ZINC000894430221 583456400 /nfs/dbraw/zinc/45/64/00/583456400.db2.gz BCVBQIFQHZPWGA-QWRGUYRKSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1C ZINC000894430221 583456402 /nfs/dbraw/zinc/45/64/02/583456402.db2.gz BCVBQIFQHZPWGA-QWRGUYRKSA-N 1 2 223.320 1.229 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CC23CCC3)cc[nH+]1 ZINC000792022674 583456966 /nfs/dbraw/zinc/45/69/66/583456966.db2.gz FNKMTHZPGGOZMU-SNVBAGLBSA-N 1 2 232.283 1.897 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(F)cc2C)[nH]1 ZINC000894468070 583468417 /nfs/dbraw/zinc/46/84/17/583468417.db2.gz SMLPPTSAMPIQKU-MRVPVSSYSA-N 1 2 249.293 1.806 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000894488117 583470388 /nfs/dbraw/zinc/47/03/88/583470388.db2.gz SYFNGIXRTFWVAL-WDEREUQCSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000894488117 583470389 /nfs/dbraw/zinc/47/03/89/583470389.db2.gz SYFNGIXRTFWVAL-WDEREUQCSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000894566485 583484261 /nfs/dbraw/zinc/48/42/61/583484261.db2.gz KUNZLUWVBSYSBS-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000894566485 583484262 /nfs/dbraw/zinc/48/42/62/583484262.db2.gz KUNZLUWVBSYSBS-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1C ZINC000894603687 583491381 /nfs/dbraw/zinc/49/13/81/583491381.db2.gz XWMVOPKOERRFAB-CYBMUJFWSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@](C)(O)CC2)c1C ZINC000894603687 583491382 /nfs/dbraw/zinc/49/13/82/583491382.db2.gz XWMVOPKOERRFAB-CYBMUJFWSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@](C)(O)CC2)c1C ZINC000894603688 583491586 /nfs/dbraw/zinc/49/15/86/583491586.db2.gz XWMVOPKOERRFAB-ZDUSSCGKSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@](C)(O)CC2)c1C ZINC000894603688 583491589 /nfs/dbraw/zinc/49/15/89/583491589.db2.gz XWMVOPKOERRFAB-ZDUSSCGKSA-N 1 2 237.347 1.763 20 0 BDADLO CC(C)c1c[nH]c(CN2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000894594682 583493079 /nfs/dbraw/zinc/49/30/79/583493079.db2.gz BYSLIWMRSNNFAW-UHFFFAOYSA-N 1 2 248.330 1.297 20 0 BDADLO c1cn2cc(C[N@H+](C3CC3)C3COC3)sc2n1 ZINC000894657867 583501321 /nfs/dbraw/zinc/50/13/21/583501321.db2.gz AINGLMRXAGZKNW-UHFFFAOYSA-N 1 2 249.339 1.759 20 0 BDADLO c1cn2cc(C[N@@H+](C3CC3)C3COC3)sc2n1 ZINC000894657867 583501323 /nfs/dbraw/zinc/50/13/23/583501323.db2.gz AINGLMRXAGZKNW-UHFFFAOYSA-N 1 2 249.339 1.759 20 0 BDADLO CC12CC(C1)CN2c1nc(N)[nH+]c(C2CC2)n1 ZINC000894657739 583501476 /nfs/dbraw/zinc/50/14/76/583501476.db2.gz ODGCWPMOBJDZDQ-UHFFFAOYSA-N 1 2 231.303 1.320 20 0 BDADLO Cn1nc2c(c1C[N@H+](C1CC1)C1COC1)CCC2 ZINC000894659339 583504637 /nfs/dbraw/zinc/50/46/37/583504637.db2.gz SAKUGSCJDGENQC-UHFFFAOYSA-N 1 2 247.342 1.272 20 0 BDADLO Cn1nc2c(c1C[N@@H+](C1CC1)C1COC1)CCC2 ZINC000894659339 583504639 /nfs/dbraw/zinc/50/46/39/583504639.db2.gz SAKUGSCJDGENQC-UHFFFAOYSA-N 1 2 247.342 1.272 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894737131 583514678 /nfs/dbraw/zinc/51/46/78/583514678.db2.gz ZJRDSKHMICYLLH-SKDRFNHKSA-N 1 2 236.319 1.522 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894737131 583514680 /nfs/dbraw/zinc/51/46/80/583514680.db2.gz ZJRDSKHMICYLLH-SKDRFNHKSA-N 1 2 236.319 1.522 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCCCC(C)C)C1 ZINC000894742220 583515658 /nfs/dbraw/zinc/51/56/58/583515658.db2.gz QXAKNHBBBKNOBB-UHFFFAOYSA-N 1 2 247.404 1.932 20 0 BDADLO CCCc1ncc(C[NH2+]Cc2cn(CC)nn2)o1 ZINC000894754022 583516332 /nfs/dbraw/zinc/51/63/32/583516332.db2.gz PCAFMNWGHLWQEH-UHFFFAOYSA-N 1 2 249.318 1.528 20 0 BDADLO CCc1onc(C)c1C[NH+]1CC(C)(O)C1 ZINC000894830803 583527701 /nfs/dbraw/zinc/52/77/01/583527701.db2.gz NWBOPJJCBMQOJL-UHFFFAOYSA-N 1 2 210.277 1.112 20 0 BDADLO CC1(O)C[NH+](Cc2cnn(CC3CCC3)c2)C1 ZINC000894829914 583527891 /nfs/dbraw/zinc/52/78/91/583527891.db2.gz CLPXUKDSPOUCRB-UHFFFAOYSA-N 1 2 235.331 1.250 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccc(OC)cn2)n1 ZINC000894896423 583550392 /nfs/dbraw/zinc/55/03/92/583550392.db2.gz XDUMAFCREHDUIA-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCc1ncc(C[NH2+]Cc2c(C)ccnc2N)o1 ZINC000894916283 583555337 /nfs/dbraw/zinc/55/53/37/583555337.db2.gz DKFZCNFYKJMRDZ-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO CCc1nc(N2CC(OC(C)C)C2)cc[nH+]1 ZINC000894972417 583561341 /nfs/dbraw/zinc/56/13/41/583561341.db2.gz VSIVLOZUOKPHSL-UHFFFAOYSA-N 1 2 221.304 1.653 20 0 BDADLO CCOC1CN(Cc2c(C)cc[nH+]c2N)C1 ZINC000894970878 583561534 /nfs/dbraw/zinc/56/15/34/583561534.db2.gz OGMRHFLXSPNKQC-UHFFFAOYSA-N 1 2 221.304 1.193 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ocnc2C)n1 ZINC000894990085 583563854 /nfs/dbraw/zinc/56/38/54/583563854.db2.gz CMFYGKHTFTTWJJ-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO OCc1cc[nH+]c(NCCC[C@H]2CCO2)c1 ZINC000895038582 583570600 /nfs/dbraw/zinc/57/06/00/583570600.db2.gz WEOPRWXWBHJRGK-NSHDSACASA-N 1 2 222.288 1.555 20 0 BDADLO CCc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)[nH]n1 ZINC000857854581 588913293 /nfs/dbraw/zinc/91/32/93/588913293.db2.gz OMUGHPARMXOHTJ-LBPRGKRZSA-N 1 2 245.330 1.862 20 0 BDADLO CCc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)[nH]n1 ZINC000857854581 588913294 /nfs/dbraw/zinc/91/32/94/588913294.db2.gz OMUGHPARMXOHTJ-LBPRGKRZSA-N 1 2 245.330 1.862 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)CC1 ZINC000881613017 583581241 /nfs/dbraw/zinc/58/12/41/583581241.db2.gz OMDYMHJZZKVZCU-VIFPVBQESA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)CC1 ZINC000881613017 583581242 /nfs/dbraw/zinc/58/12/42/583581242.db2.gz OMDYMHJZZKVZCU-VIFPVBQESA-N 1 2 239.294 1.549 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CCCCC1 ZINC000895078221 583582424 /nfs/dbraw/zinc/58/24/24/583582424.db2.gz SWSSPIVYTAWBTD-SNVBAGLBSA-N 1 2 234.303 1.523 20 0 BDADLO COC(=O)[C@@H]1CCN(c2nc[nH+]c(C)c2C)[C@H]1C ZINC000882240935 583600384 /nfs/dbraw/zinc/60/03/84/583600384.db2.gz LRRWUSBOOQCUFV-WDEREUQCSA-N 1 2 249.314 1.481 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1F ZINC000895134297 583601914 /nfs/dbraw/zinc/60/19/14/583601914.db2.gz ZMMHLDWDQVALIZ-ZANVPECISA-N 1 2 249.289 1.761 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC/C=C/Cl ZINC000895138332 583602760 /nfs/dbraw/zinc/60/27/60/583602760.db2.gz WPFBWEVHPJFNET-ONEGZZNKSA-N 1 2 242.710 1.455 20 0 BDADLO Cc1[nH+]cnc(NC[C@@]2(O)CCO[C@@H]2C)c1C ZINC000882281498 583603712 /nfs/dbraw/zinc/60/37/12/583603712.db2.gz GOSNIIYALHCRQV-PWSUYJOCSA-N 1 2 237.303 1.045 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1 ZINC000141856456 583606894 /nfs/dbraw/zinc/60/68/94/583606894.db2.gz MNXBUKHSEWNGCF-UHFFFAOYSA-N 1 2 215.256 1.269 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccn(C)n1 ZINC000857870231 588917775 /nfs/dbraw/zinc/91/77/75/588917775.db2.gz UZUFXYBBXQOYTH-SKDRFNHKSA-N 1 2 245.330 1.871 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+][C@H]1CCCc3cn[nH]c31)CC2 ZINC000857868190 588916420 /nfs/dbraw/zinc/91/64/20/588916420.db2.gz QLNODJFHXDIEEG-WDEREUQCSA-N 1 2 243.314 1.718 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccn(C)n1 ZINC000857870231 588917777 /nfs/dbraw/zinc/91/77/77/588917777.db2.gz UZUFXYBBXQOYTH-SKDRFNHKSA-N 1 2 245.330 1.871 20 0 BDADLO CSC1(C[NH2+][C@@H](C)c2n[nH]c(=O)n2C)CC1 ZINC000895176711 583616013 /nfs/dbraw/zinc/61/60/13/583616013.db2.gz TYQMMDSLRZBAQN-ZETCQYMHSA-N 1 2 242.348 1.067 20 0 BDADLO Cc1noc(CN(C)Cc2[nH]cc(C(C)C)[nH+]2)n1 ZINC000895190082 583619655 /nfs/dbraw/zinc/61/96/55/583619655.db2.gz IWJWZSBFXFMVQF-UHFFFAOYSA-N 1 2 249.318 1.857 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC/C=C\Cl)c1 ZINC000895292810 583639100 /nfs/dbraw/zinc/63/91/00/583639100.db2.gz YIQBIPZEEMQJFE-RQOWECAXSA-N 1 2 242.710 1.014 20 0 BDADLO CN(CCCF)C(=O)c1ccc2[nH+]ccn2c1 ZINC000895292769 583639112 /nfs/dbraw/zinc/63/91/12/583639112.db2.gz DFOLMVLBHUCKNR-UHFFFAOYSA-N 1 2 235.262 1.766 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857943108 588924273 /nfs/dbraw/zinc/92/42/73/588924273.db2.gz GLUPKEZVHAHRGC-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1cc[nH]c(=O)c1 ZINC000895302100 583644194 /nfs/dbraw/zinc/64/41/94/583644194.db2.gz JJEQFXUNOLCLBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1cc[nH]c(=O)c1 ZINC000895302100 583644196 /nfs/dbraw/zinc/64/41/96/583644196.db2.gz JJEQFXUNOLCLBW-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO c1cc2c(cn1)C[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000857875758 588918559 /nfs/dbraw/zinc/91/85/59/588918559.db2.gz BAKATECLLAIFQL-AWEZNQCLSA-N 1 2 248.326 1.593 20 0 BDADLO c1cc2c(cn1)C[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000857875758 588918560 /nfs/dbraw/zinc/91/85/60/588918560.db2.gz BAKATECLLAIFQL-AWEZNQCLSA-N 1 2 248.326 1.593 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000895352001 583656858 /nfs/dbraw/zinc/65/68/58/583656858.db2.gz MDIZCPKOUROUPR-GWCFXTLKSA-N 1 2 231.299 1.621 20 0 BDADLO CCC[C@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895398311 583665457 /nfs/dbraw/zinc/66/54/57/583665457.db2.gz PQKOGZGGFSLMLR-VIFPVBQESA-N 1 2 219.350 1.151 20 0 BDADLO CCC[C@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895398311 583665458 /nfs/dbraw/zinc/66/54/58/583665458.db2.gz PQKOGZGGFSLMLR-VIFPVBQESA-N 1 2 219.350 1.151 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H](CCF)C2)c1C ZINC000895404337 583667536 /nfs/dbraw/zinc/66/75/36/583667536.db2.gz FANSDCNWUJSEIM-LLVKDONJSA-N 1 2 241.310 1.587 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@H](CCF)C2)c1C ZINC000895404337 583667537 /nfs/dbraw/zinc/66/75/37/583667537.db2.gz FANSDCNWUJSEIM-LLVKDONJSA-N 1 2 241.310 1.587 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@@H]1C(F)F ZINC000895430977 583670365 /nfs/dbraw/zinc/67/03/65/583670365.db2.gz IRINNVJTEAFUOB-MRVPVSSYSA-N 1 2 215.247 1.742 20 0 BDADLO Cc1[nH]c(CN2CC[C@H]2C(F)F)[nH+]c1C ZINC000895431863 583670822 /nfs/dbraw/zinc/67/08/22/583670822.db2.gz RCEJGWAQADEOMP-QMMMGPOBSA-N 1 2 215.247 1.866 20 0 BDADLO Cc1noc2ncc(C[NH2+]Cc3ncc[nH]3)cc12 ZINC000895422822 583673464 /nfs/dbraw/zinc/67/34/64/583673464.db2.gz PGNOPPBUZFZTAF-UHFFFAOYSA-N 1 2 243.270 1.544 20 0 BDADLO CC1([NH2+]Cc2ccc(Cl)cn2)COC1 ZINC000895444023 583674680 /nfs/dbraw/zinc/67/46/80/583674680.db2.gz OZDKMPICIXEIFJ-UHFFFAOYSA-N 1 2 212.680 1.614 20 0 BDADLO O=C(/C=C\C1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884939 588920792 /nfs/dbraw/zinc/92/07/92/588920792.db2.gz MXKYUJLBCHUCQV-FJOGCWAESA-N 1 2 245.326 1.670 20 0 BDADLO CCC/C(C)=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887818 588921067 /nfs/dbraw/zinc/92/10/67/588921067.db2.gz PAZNXWXDTFPRPH-IGLBNKAOSA-N 1 2 233.315 1.670 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCO[C@H]2C2CC2)[nH+]cn1 ZINC000895543359 583688319 /nfs/dbraw/zinc/68/83/19/583688319.db2.gz KBVJXEPAGGGQPR-MFKMUULPSA-N 1 2 248.330 1.522 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCO[C@H]2C2CC2)nc[nH+]1 ZINC000895543359 583688321 /nfs/dbraw/zinc/68/83/21/583688321.db2.gz KBVJXEPAGGGQPR-MFKMUULPSA-N 1 2 248.330 1.522 20 0 BDADLO CC1(C)OC[C@H](C[NH+]2CC3(C2)CCCO3)O1 ZINC000895593256 583695440 /nfs/dbraw/zinc/69/54/40/583695440.db2.gz ZWDCKDZFFALBLF-JTQLQIEISA-N 1 2 227.304 1.003 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000895653590 583701229 /nfs/dbraw/zinc/70/12/29/583701229.db2.gz NVVTTWSNOXXREN-BXKDBHETSA-N 1 2 238.356 1.833 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)s1 ZINC000895653590 583701231 /nfs/dbraw/zinc/70/12/31/583701231.db2.gz NVVTTWSNOXXREN-BXKDBHETSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1nnc(C[NH2+]CC(C)(C)F)s1 ZINC000895690614 583707668 /nfs/dbraw/zinc/70/76/68/583707668.db2.gz HSDZHECASHSSQE-UHFFFAOYSA-N 1 2 203.286 1.684 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCc2ncncc2C1 ZINC000895723440 583712920 /nfs/dbraw/zinc/71/29/20/583712920.db2.gz VWOVVZORBPFLSG-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ccoc1C[N@H+]1CCc2ncncc2C1 ZINC000895723440 583712921 /nfs/dbraw/zinc/71/29/21/583712921.db2.gz VWOVVZORBPFLSG-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CCOc1ccc(C[NH2+]C2(C)COC2)o1 ZINC000895752577 583719838 /nfs/dbraw/zinc/71/98/38/583719838.db2.gz AULGENJLWAMMHW-UHFFFAOYSA-N 1 2 211.261 1.557 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000895757400 583721320 /nfs/dbraw/zinc/72/13/20/583721320.db2.gz CJHVZYIQELFBGF-JTQLQIEISA-N 1 2 233.315 1.969 20 0 BDADLO CCc1nc(N2CCO[C@@H](C)CC2)cc[nH+]1 ZINC000895765747 583723158 /nfs/dbraw/zinc/72/31/58/583723158.db2.gz RMEXIOPISSTYKF-JTQLQIEISA-N 1 2 221.304 1.654 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857939127 588924236 /nfs/dbraw/zinc/92/42/36/588924236.db2.gz MSWKCDRQCCKMOE-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCc2ccoc2)c1 ZINC000895779360 583726834 /nfs/dbraw/zinc/72/68/34/583726834.db2.gz GKMABYLUGIBSBK-UHFFFAOYSA-N 1 2 248.286 1.055 20 0 BDADLO COc1ccccc1C[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC000895803808 583731453 /nfs/dbraw/zinc/73/14/53/583731453.db2.gz FYEOMAFIQAOKKL-PWSUYJOCSA-N 1 2 249.310 1.531 20 0 BDADLO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCOC1=O ZINC000895806789 583731983 /nfs/dbraw/zinc/73/19/83/583731983.db2.gz DUVOLZJZRXDPBQ-SKDRFNHKSA-N 1 2 235.283 1.228 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000895808018 583732656 /nfs/dbraw/zinc/73/26/56/583732656.db2.gz GVTFBQYFOZUPRP-NSHDSACASA-N 1 2 241.237 1.412 20 0 BDADLO OC1(C2(CNc3cccc[nH+]3)CC2)CCOCC1 ZINC000895823052 583734960 /nfs/dbraw/zinc/73/49/60/583734960.db2.gz MZSDKOSHRCUBKZ-UHFFFAOYSA-N 1 2 248.326 1.815 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1ccnn1C ZINC000895863201 583735880 /nfs/dbraw/zinc/73/58/80/583735880.db2.gz HDTASKRYPCCIHR-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO COC(C)(C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978215 588925881 /nfs/dbraw/zinc/92/58/81/588925881.db2.gz CPXZWHORTJDRHT-VIFPVBQESA-N 1 2 237.303 1.259 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000895905073 583743111 /nfs/dbraw/zinc/74/31/11/583743111.db2.gz HVRSWPIFFRLLKF-ZANVPECISA-N 1 2 229.283 1.499 20 0 BDADLO CCCn1cc(C[N@H+](C)CCCF)nn1 ZINC000895896644 583744278 /nfs/dbraw/zinc/74/42/78/583744278.db2.gz XUEBAUCKIDHBAV-UHFFFAOYSA-N 1 2 214.288 1.480 20 0 BDADLO CCCn1cc(C[N@@H+](C)CCCF)nn1 ZINC000895896644 583744279 /nfs/dbraw/zinc/74/42/79/583744279.db2.gz XUEBAUCKIDHBAV-UHFFFAOYSA-N 1 2 214.288 1.480 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCCO1 ZINC000857976214 588926031 /nfs/dbraw/zinc/92/60/31/588926031.db2.gz ACFJDMPYVZRPEY-ZWNOBZJWSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C(F)=C1CCC1 ZINC000857976392 588926072 /nfs/dbraw/zinc/92/60/72/588926072.db2.gz CUZSUIAQFDYUQM-VIFPVBQESA-N 1 2 235.262 1.852 20 0 BDADLO CCOC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857976024 588926214 /nfs/dbraw/zinc/92/62/14/588926214.db2.gz VUMYJYWINMWYGV-JTQLQIEISA-N 1 2 249.314 1.403 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976588 588926232 /nfs/dbraw/zinc/92/62/32/588926232.db2.gz HKOPXJGFRXYSPV-KOLCDFICSA-N 1 2 237.303 1.259 20 0 BDADLO CO[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857974685 588926243 /nfs/dbraw/zinc/92/62/43/588926243.db2.gz ISDJBDIJYPEBSE-ZYHUDNBSSA-N 1 2 249.314 1.259 20 0 BDADLO CCn1cc(C[NH+]2CC(OC(C)C)C2)c(C)n1 ZINC000895956860 583752671 /nfs/dbraw/zinc/75/26/71/583752671.db2.gz WRZGHVVAWQVAQC-UHFFFAOYSA-N 1 2 237.347 1.821 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978684 588926612 /nfs/dbraw/zinc/92/66/12/588926612.db2.gz QBRDSDPXTGMEBX-MJKAUQOVSA-N 1 2 247.298 1.179 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CCO1 ZINC000895967754 583754287 /nfs/dbraw/zinc/75/42/87/583754287.db2.gz BNVBJJQUYZHPFP-CQSZACIVSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCO1 ZINC000895967754 583754288 /nfs/dbraw/zinc/75/42/88/583754288.db2.gz BNVBJJQUYZHPFP-CQSZACIVSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000895968941 583755170 /nfs/dbraw/zinc/75/51/70/583755170.db2.gz HIRCIIJQPZKKLO-AWEZNQCLSA-N 1 2 249.310 1.426 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000895968941 583755171 /nfs/dbraw/zinc/75/51/71/583755171.db2.gz HIRCIIJQPZKKLO-AWEZNQCLSA-N 1 2 249.310 1.426 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)s2)CCO1 ZINC000895968636 583755198 /nfs/dbraw/zinc/75/51/98/583755198.db2.gz FKYJQDVCKYHOME-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)s2)CCO1 ZINC000895968636 583755199 /nfs/dbraw/zinc/75/51/99/583755199.db2.gz FKYJQDVCKYHOME-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO COCC1C[NH+](Cc2cccnc2Cl)C1 ZINC000895971065 583755966 /nfs/dbraw/zinc/75/59/66/583755966.db2.gz KEJYGWUUHGOSDU-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO COC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857981215 588927991 /nfs/dbraw/zinc/92/79/91/588927991.db2.gz BZBZECBNOVWYHJ-SECBINFHSA-N 1 2 235.287 1.013 20 0 BDADLO CO[C@H](C)CCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981971 588928023 /nfs/dbraw/zinc/92/80/23/588928023.db2.gz KMCGEISIUYLNJV-ZJUUUORDSA-N 1 2 237.303 1.259 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC=CO1 ZINC000857982642 588928161 /nfs/dbraw/zinc/92/81/61/588928161.db2.gz KUGWTBIOHHBSKG-KOLCDFICSA-N 1 2 233.271 1.137 20 0 BDADLO CC(C)c1nc(NCC[C@@H]2CNC(=O)C2)cc[nH+]1 ZINC000896139916 583775775 /nfs/dbraw/zinc/77/57/75/583775775.db2.gz CWTCMDUBQCEVTG-JTQLQIEISA-N 1 2 248.330 1.538 20 0 BDADLO O=C(CCn1cccc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983805 588928479 /nfs/dbraw/zinc/92/84/79/588928479.db2.gz VLSDZEQQONADSL-LLVKDONJSA-N 1 2 244.298 1.336 20 0 BDADLO Cc1coc(-c2nc(Cc3c[nH+]cn3C)no2)c1 ZINC000896166967 583778498 /nfs/dbraw/zinc/77/84/98/583778498.db2.gz YANKDILTGASTSX-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cncc(F)c1 ZINC000857984394 588928613 /nfs/dbraw/zinc/92/86/13/588928613.db2.gz ZRJXFTSKNHQVKV-JTQLQIEISA-N 1 2 246.245 1.292 20 0 BDADLO Cc1cccnc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984401 588928657 /nfs/dbraw/zinc/92/86/57/588928657.db2.gz ZSEFKVQGWXUDML-SNVBAGLBSA-N 1 2 242.282 1.461 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(F)(F)F ZINC000857983441 588928759 /nfs/dbraw/zinc/92/87/59/588928759.db2.gz RUWSFHHVFXTQEQ-RNFRBKRXSA-N 1 2 247.220 1.643 20 0 BDADLO CCC[C@@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000896187200 583780971 /nfs/dbraw/zinc/78/09/71/583780971.db2.gz WNHACEYKDXVAPY-SECBINFHSA-N 1 2 249.318 1.326 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccnc(F)c1 ZINC000857983872 588928911 /nfs/dbraw/zinc/92/89/11/588928911.db2.gz DRIKXTKTEDQTOB-VIFPVBQESA-N 1 2 246.245 1.292 20 0 BDADLO CCC[C@@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000896187768 583781741 /nfs/dbraw/zinc/78/17/41/583781741.db2.gz UJLIOMWUNBGYMZ-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO CCC[C@@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000896187768 583781743 /nfs/dbraw/zinc/78/17/43/583781743.db2.gz UJLIOMWUNBGYMZ-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO CCc1ocnc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987668 588929067 /nfs/dbraw/zinc/92/90/67/588929067.db2.gz XQZKLXAXSJCPTK-QMMMGPOBSA-N 1 2 246.270 1.308 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1=COCCC1 ZINC000857987191 588929114 /nfs/dbraw/zinc/92/91/14/588929114.db2.gz ZYMGNWAXUWQSJD-JTQLQIEISA-N 1 2 233.271 1.138 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1=COCCC1 ZINC000857987193 588929453 /nfs/dbraw/zinc/92/94/53/588929453.db2.gz ZYMGNWAXUWQSJD-SNVBAGLBSA-N 1 2 233.271 1.138 20 0 BDADLO CC(C)Cn1ccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000896305965 583789857 /nfs/dbraw/zinc/78/98/57/583789857.db2.gz ULFXNTHQXSNAAF-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO CCc1n[nH]cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989657 588929640 /nfs/dbraw/zinc/92/96/40/588929640.db2.gz SFMLNSXDSXRXBR-SNVBAGLBSA-N 1 2 245.286 1.043 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H]1C[C@H]1C)CCN2 ZINC000857994059 588929988 /nfs/dbraw/zinc/92/99/88/588929988.db2.gz AYBMXTYRBLJBHO-NXEZZACHSA-N 1 2 231.299 1.805 20 0 BDADLO CO[C@]12CCC[C@@]1([NH2+]Cc1ccn[nH]1)CCO2 ZINC000896413823 583801218 /nfs/dbraw/zinc/80/12/18/583801218.db2.gz WHOTWNAAKHYJLR-NEPJUHHUSA-N 1 2 237.303 1.185 20 0 BDADLO Cc1[nH+]cnc(NCCO[C@H]2CCOC2)c1C ZINC000896473248 583803319 /nfs/dbraw/zinc/80/33/19/583803319.db2.gz JZHHMWXBHYHQCM-NSHDSACASA-N 1 2 237.303 1.311 20 0 BDADLO CO[C@@H](C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857998000 588930681 /nfs/dbraw/zinc/93/06/81/588930681.db2.gz YRWJFSRVSZXHFH-VIFPVBQESA-N 1 2 235.287 1.183 20 0 BDADLO COc1nccnc1C[N@@H+]1CCO[C@H](C)CC1 ZINC000896577026 583813613 /nfs/dbraw/zinc/81/36/13/583813613.db2.gz HTVNOPPYBFNAKG-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@H+]1CCO[C@H](C)CC1 ZINC000896577026 583813614 /nfs/dbraw/zinc/81/36/14/583813614.db2.gz HTVNOPPYBFNAKG-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nnc(C)o1)C2 ZINC000896655544 583821330 /nfs/dbraw/zinc/82/13/30/583821330.db2.gz ZAVBAYWTNBCULB-UHFFFAOYSA-N 1 2 233.275 1.157 20 0 BDADLO C[NH+](C)C1(c2nc(C3CSC3)no2)CC1 ZINC000896739773 583829264 /nfs/dbraw/zinc/82/92/64/583829264.db2.gz NARNYYBJRVPSJX-UHFFFAOYSA-N 1 2 225.317 1.451 20 0 BDADLO CCn1cncc1C[N@@H+]1CCn2cccc2C1 ZINC000896760539 583831737 /nfs/dbraw/zinc/83/17/37/583831737.db2.gz BNEXVMAJWOHOCJ-UHFFFAOYSA-N 1 2 230.315 1.720 20 0 BDADLO CCn1cncc1C[N@H+]1CCn2cccc2C1 ZINC000896760539 583831740 /nfs/dbraw/zinc/83/17/40/583831740.db2.gz BNEXVMAJWOHOCJ-UHFFFAOYSA-N 1 2 230.315 1.720 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000795983144 583840915 /nfs/dbraw/zinc/84/09/15/583840915.db2.gz ABAXQGBAZOZWQE-WDEREUQCSA-N 1 2 240.303 1.487 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cc(F)ccc1O ZINC000336157816 583844142 /nfs/dbraw/zinc/84/41/42/583844142.db2.gz QOXNASKZDQMPCL-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000858170717 588936607 /nfs/dbraw/zinc/93/66/07/588936607.db2.gz NOESNABOWPXILN-BZNPZCIMSA-N 1 2 242.344 1.265 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2C2CC2)[nH+]c1C ZINC000896909187 583852389 /nfs/dbraw/zinc/85/23/89/583852389.db2.gz DEGHIVARGHBJBT-MNOVXSKESA-N 1 2 233.315 1.689 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(F)cn2)[nH+]c1C ZINC000896911073 583853014 /nfs/dbraw/zinc/85/30/14/583853014.db2.gz ZYDDRURAZWIYKD-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO O=C(C1CC1)N1CC[NH+](Cc2ccoc2)CC1 ZINC000728299437 583856051 /nfs/dbraw/zinc/85/60/51/583856051.db2.gz JFMUZBXNPDZIES-UHFFFAOYSA-N 1 2 234.299 1.334 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CCCOC2)[nH+]c1C ZINC000896920815 583856669 /nfs/dbraw/zinc/85/66/69/583856669.db2.gz SLXIEPAXHNNKCG-SNVBAGLBSA-N 1 2 237.303 1.069 20 0 BDADLO CONC(=O)C[NH2+]CCc1ccc(C)c(C)c1 ZINC000896925499 583858097 /nfs/dbraw/zinc/85/80/97/583858097.db2.gz XKZVEVHHXBXVQT-UHFFFAOYSA-N 1 2 236.315 1.113 20 0 BDADLO CONC(=O)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000896925318 583858273 /nfs/dbraw/zinc/85/82/73/583858273.db2.gz VJUGPJKQORWRNT-LLVKDONJSA-N 1 2 248.326 1.059 20 0 BDADLO CC[C@H]1CCCC[C@@H]1C[NH2+]CC(=O)NOC ZINC000896924157 583858388 /nfs/dbraw/zinc/85/83/88/583858388.db2.gz LXRNNONAWDBGHW-WDEREUQCSA-N 1 2 228.336 1.470 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000896927029 583858512 /nfs/dbraw/zinc/85/85/12/583858512.db2.gz OEKLVVNLJYGDCW-RKDXNWHRSA-N 1 2 246.376 1.174 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000896923786 583858847 /nfs/dbraw/zinc/85/88/47/583858847.db2.gz IGVBDOUDMYSOJL-NSHDSACASA-N 1 2 236.315 1.193 20 0 BDADLO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(=O)NOC ZINC000896926362 583859532 /nfs/dbraw/zinc/85/95/32/583859532.db2.gz ITYQNPUSZLDCPT-NXEZZACHSA-N 1 2 216.325 1.468 20 0 BDADLO CC(=O)CCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896927742 583859553 /nfs/dbraw/zinc/85/95/53/583859553.db2.gz OIBPIHWKIQZCLT-UHFFFAOYSA-N 1 2 237.303 1.402 20 0 BDADLO COCC1(c2noc([C@H](C)[NH+](C)C)n2)CC1 ZINC000897047710 583873557 /nfs/dbraw/zinc/87/35/57/583873557.db2.gz ZFTUAZFXDFQFFP-QMMMGPOBSA-N 1 2 225.292 1.370 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CC23CC(O)C3)[nH+]1 ZINC000897091623 583879138 /nfs/dbraw/zinc/87/91/38/583879138.db2.gz OQRVGSLDBWSSOE-SLYADPJGSA-N 1 2 244.298 1.592 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000897143145 583882728 /nfs/dbraw/zinc/88/27/28/583882728.db2.gz ZAFXJRUXGNAIDC-MNOVXSKESA-N 1 2 248.330 1.665 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000897143145 583882729 /nfs/dbraw/zinc/88/27/29/583882729.db2.gz ZAFXJRUXGNAIDC-MNOVXSKESA-N 1 2 248.330 1.665 20 0 BDADLO COc1ccc[nH+]c1N(C)[C@@H]1CC[C@@H]1OC ZINC000897142632 583883339 /nfs/dbraw/zinc/88/33/39/583883339.db2.gz PFCHFRIHIQKQCZ-ZJUUUORDSA-N 1 2 222.288 1.704 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(CCCCF)no2)C1 ZINC000897202943 583895456 /nfs/dbraw/zinc/89/54/56/583895456.db2.gz BGFQNSPTSVPFCD-VIFPVBQESA-N 1 2 243.282 1.365 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(CCCCF)no2)C1 ZINC000897202943 583895457 /nfs/dbraw/zinc/89/54/57/583895457.db2.gz BGFQNSPTSVPFCD-VIFPVBQESA-N 1 2 243.282 1.365 20 0 BDADLO Oc1cncc(C[NH2+]Cc2nccn2C2CC2)c1 ZINC000897305572 583913051 /nfs/dbraw/zinc/91/30/51/583913051.db2.gz XRRGUXJFTDDICW-UHFFFAOYSA-N 1 2 244.298 1.608 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000897334350 583924604 /nfs/dbraw/zinc/92/46/04/583924604.db2.gz RBQSGLQUSLJGGP-LBPRGKRZSA-N 1 2 247.342 1.954 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000897334350 583924605 /nfs/dbraw/zinc/92/46/05/583924605.db2.gz RBQSGLQUSLJGGP-LBPRGKRZSA-N 1 2 247.342 1.954 20 0 BDADLO CCn1c[nH+]c2c1CCN(C[C@@H]1CCC=CO1)C2 ZINC000897334350 583924608 /nfs/dbraw/zinc/92/46/08/583924608.db2.gz RBQSGLQUSLJGGP-LBPRGKRZSA-N 1 2 247.342 1.954 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@H](O)[C@H](F)C1 ZINC000897377375 583946545 /nfs/dbraw/zinc/94/65/45/583946545.db2.gz FKVLKBXXDYSBNR-SKDRFNHKSA-N 1 2 249.289 1.482 20 0 BDADLO O[C@@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1F ZINC000897379480 583946973 /nfs/dbraw/zinc/94/69/73/583946973.db2.gz IVOCBUFOLPIQBL-WCBMZHEXSA-N 1 2 214.215 1.130 20 0 BDADLO CCc1cc(N[C@@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897448263 583986925 /nfs/dbraw/zinc/98/69/25/583986925.db2.gz VVWJUNDGLUJBFB-NWDGAFQWSA-N 1 2 233.315 1.876 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2COC[C@H]2C2CC2)c1 ZINC000897449576 583987028 /nfs/dbraw/zinc/98/70/28/583987028.db2.gz AOALZMDFMOQGLY-RYUDHWBXSA-N 1 2 234.299 1.411 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2COC[C@H]2C2CC2)c1 ZINC000897449575 583987078 /nfs/dbraw/zinc/98/70/78/583987078.db2.gz AOALZMDFMOQGLY-NWDGAFQWSA-N 1 2 234.299 1.411 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889592879 584010195 /nfs/dbraw/zinc/01/01/95/584010195.db2.gz LOXQDWOZRYPSLS-GARJFASQSA-N 1 2 219.288 1.188 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cn(CC)nn2)c1 ZINC000897604815 584026746 /nfs/dbraw/zinc/02/67/46/584026746.db2.gz YQDQPRFWKIBTPM-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cn(CC)nn2)c1 ZINC000897604815 584026749 /nfs/dbraw/zinc/02/67/49/584026749.db2.gz YQDQPRFWKIBTPM-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnc(Cl)c2F)C[C@@H]1O ZINC000897680792 584038195 /nfs/dbraw/zinc/03/81/95/584038195.db2.gz WDHQLEFTTZZDKE-CBAPKCEASA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2F)C[C@@H]1O ZINC000897680792 584038198 /nfs/dbraw/zinc/03/81/98/584038198.db2.gz WDHQLEFTTZZDKE-CBAPKCEASA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@H]1O ZINC000897680626 584038410 /nfs/dbraw/zinc/03/84/10/584038410.db2.gz LAUDAIYCSAHZEF-JMCQJSRRSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@H]1O ZINC000897680626 584038411 /nfs/dbraw/zinc/03/84/11/584038411.db2.gz LAUDAIYCSAHZEF-JMCQJSRRSA-N 1 2 245.244 1.917 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2ccsc2)C1 ZINC000897788724 584048103 /nfs/dbraw/zinc/04/81/03/584048103.db2.gz CCXPNLMGGRSOKB-UHFFFAOYSA-N 1 2 236.340 1.555 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000897833256 584052225 /nfs/dbraw/zinc/05/22/25/584052225.db2.gz BXTAZWSMLQGTJE-OPRDCNLKSA-N 1 2 217.309 1.341 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](F)C2)c[nH+]1 ZINC000897881618 584057104 /nfs/dbraw/zinc/05/71/04/584057104.db2.gz YQYPKLXXIHLLLD-JTQLQIEISA-N 1 2 239.294 1.497 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](F)C2)c[nH+]1 ZINC000897881619 584057390 /nfs/dbraw/zinc/05/73/90/584057390.db2.gz YQYPKLXXIHLLLD-SNVBAGLBSA-N 1 2 239.294 1.497 20 0 BDADLO CCC[C@@H](C[NH2+]C1(c2nc(C)no2)CC1)OC ZINC000897896578 584058610 /nfs/dbraw/zinc/05/86/10/584058610.db2.gz YZOHGRGPGMEGFO-JTQLQIEISA-N 1 2 239.319 1.772 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cnn(C)c2Cl)c1 ZINC000898043744 584081254 /nfs/dbraw/zinc/08/12/54/584081254.db2.gz ZMYVEMJHPDDFLP-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cn1c[nH+]c(CNCc2cnn(C)c2Cl)c1 ZINC000898043744 584081255 /nfs/dbraw/zinc/08/12/55/584081255.db2.gz ZMYVEMJHPDDFLP-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898182371 584093176 /nfs/dbraw/zinc/09/31/76/584093176.db2.gz CHGMLKXLKQKMFI-MNOVXSKESA-N 1 2 243.278 1.583 20 0 BDADLO CCOc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898182371 584093177 /nfs/dbraw/zinc/09/31/77/584093177.db2.gz CHGMLKXLKQKMFI-MNOVXSKESA-N 1 2 243.278 1.583 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898182123 584093496 /nfs/dbraw/zinc/09/34/96/584093496.db2.gz ATPHPTHHCIJBAH-GHMZBOCLSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898182123 584093497 /nfs/dbraw/zinc/09/34/97/584093497.db2.gz ATPHPTHHCIJBAH-GHMZBOCLSA-N 1 2 213.252 1.493 20 0 BDADLO O[C@H]1CCN(Cc2cccc3[nH+]ccn32)C[C@@H]1F ZINC000898188637 584094775 /nfs/dbraw/zinc/09/47/75/584094775.db2.gz SIKZNAGTWDGCED-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)ccnc1F ZINC000898189535 584094968 /nfs/dbraw/zinc/09/49/68/584094968.db2.gz VFAIFPYACCTKEC-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)ccnc1F ZINC000898189535 584094969 /nfs/dbraw/zinc/09/49/69/584094969.db2.gz VFAIFPYACCTKEC-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898195298 584096729 /nfs/dbraw/zinc/09/67/29/584096729.db2.gz VXFCVAWFOJMGMP-QWRGUYRKSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898195298 584096730 /nfs/dbraw/zinc/09/67/30/584096730.db2.gz VXFCVAWFOJMGMP-QWRGUYRKSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1[nH]c(C(=O)NCC=C(Cl)Cl)c[nH+]1 ZINC000898309513 584110516 /nfs/dbraw/zinc/11/05/16/584110516.db2.gz XBAOZOXDUPXIHM-UHFFFAOYSA-N 1 2 234.086 1.767 20 0 BDADLO FC(F)[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000801562781 584127892 /nfs/dbraw/zinc/12/78/92/584127892.db2.gz FHRSYICVUWPWAQ-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000801562781 584127894 /nfs/dbraw/zinc/12/78/94/584127894.db2.gz FHRSYICVUWPWAQ-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO COC(=O)c1cnc(C[NH2+]C/C=C\Cl)s1 ZINC000898424280 584132062 /nfs/dbraw/zinc/13/20/62/584132062.db2.gz DITHOWMUAJKEEA-IHWYPQMZSA-N 1 2 246.719 1.772 20 0 BDADLO COc1nccnc1C[NH2+]C/C=C/Cl ZINC000898426841 584132632 /nfs/dbraw/zinc/13/26/32/584132632.db2.gz ARVAQQTZZSMLAF-NSCUHMNNSA-N 1 2 213.668 1.327 20 0 BDADLO COCc1cc(C[NH2+]C/C=C/Cl)no1 ZINC000898430038 584134380 /nfs/dbraw/zinc/13/43/80/584134380.db2.gz SWMSCKGKVLPRHR-NSCUHMNNSA-N 1 2 216.668 1.663 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898499750 584140566 /nfs/dbraw/zinc/14/05/66/584140566.db2.gz RACGOIKGJCEMPC-WDEREUQCSA-N 1 2 248.317 1.531 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898499750 584140569 /nfs/dbraw/zinc/14/05/69/584140569.db2.gz RACGOIKGJCEMPC-WDEREUQCSA-N 1 2 248.317 1.531 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC23CCCC3)c1 ZINC000898615536 584146983 /nfs/dbraw/zinc/14/69/83/584146983.db2.gz HXDDTLZWIBESTB-UHFFFAOYSA-N 1 2 248.330 1.648 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC3(CCC3)C2)c1 ZINC000898620607 584147806 /nfs/dbraw/zinc/14/78/06/584147806.db2.gz PPUROGUOXFQRLO-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO CC1=C(C)CN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898620511 584148061 /nfs/dbraw/zinc/14/80/61/584148061.db2.gz HAZVOHCXDRGDQM-UHFFFAOYSA-N 1 2 248.330 1.672 20 0 BDADLO CON(C)C(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000898967741 584167917 /nfs/dbraw/zinc/16/79/17/584167917.db2.gz QYVJPXGUBUXAFP-UHFFFAOYSA-N 1 2 248.286 1.346 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC/C=C\Cl ZINC000899035145 584171830 /nfs/dbraw/zinc/17/18/30/584171830.db2.gz MYWYQRLDHXIJDO-IHWYPQMZSA-N 1 2 228.683 1.304 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC/C=C\Cl ZINC000899035145 584171831 /nfs/dbraw/zinc/17/18/31/584171831.db2.gz MYWYQRLDHXIJDO-IHWYPQMZSA-N 1 2 228.683 1.304 20 0 BDADLO CCn1c[nH+]c(C=Cc2nc(C)cc(=O)[nH]2)c1 ZINC000899372877 584208299 /nfs/dbraw/zinc/20/82/99/584208299.db2.gz YKMHDDHDNFYPCW-PLNGDYQASA-N 1 2 230.271 1.877 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000899408234 584213157 /nfs/dbraw/zinc/21/31/57/584213157.db2.gz YHIXSCOLYAHFHC-AAXDQBDMSA-N 1 2 247.342 1.371 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000899408922 584213351 /nfs/dbraw/zinc/21/33/51/584213351.db2.gz UESPNIAIBXRUDJ-NOOOWODRSA-N 1 2 247.342 1.751 20 0 BDADLO CC(C)[C@@H](C)S(=O)(=O)CCc1c[nH+]cn1C ZINC000899477978 584218114 /nfs/dbraw/zinc/21/81/14/584218114.db2.gz JGDBZPZNCJXDLJ-SNVBAGLBSA-N 1 2 244.360 1.422 20 0 BDADLO COCc1cn(CCc2cccc(C)[nH+]2)nn1 ZINC000899732172 584235229 /nfs/dbraw/zinc/23/52/29/584235229.db2.gz BCSSNMICMXKUFE-UHFFFAOYSA-N 1 2 232.287 1.371 20 0 BDADLO CCn1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)nn1 ZINC000899870794 584244298 /nfs/dbraw/zinc/24/42/98/584244298.db2.gz CRLCAQYJMOSOEE-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CCn1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)nn1 ZINC000899870794 584244301 /nfs/dbraw/zinc/24/43/01/584244301.db2.gz CRLCAQYJMOSOEE-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CCn1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)nn1 ZINC000899870793 584244524 /nfs/dbraw/zinc/24/45/24/584244524.db2.gz CRLCAQYJMOSOEE-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO CCn1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)nn1 ZINC000899870793 584244525 /nfs/dbraw/zinc/24/45/25/584244525.db2.gz CRLCAQYJMOSOEE-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO C/C(Cl)=C/C(=O)NCCCn1cc[nH+]c1 ZINC000899921262 584256397 /nfs/dbraw/zinc/25/63/97/584256397.db2.gz UJBDMFVXILFXQP-CLFYSBASSA-N 1 2 227.695 1.532 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000899970120 584261544 /nfs/dbraw/zinc/26/15/44/584261544.db2.gz PYBYGFARBAIYGM-LLVKDONJSA-N 1 2 243.310 1.872 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000899970120 584261546 /nfs/dbraw/zinc/26/15/46/584261546.db2.gz PYBYGFARBAIYGM-LLVKDONJSA-N 1 2 243.310 1.872 20 0 BDADLO O=C(CCF)N1CC[NH+](Cc2ccco2)CC1 ZINC000900040533 584268090 /nfs/dbraw/zinc/26/80/90/584268090.db2.gz YPEDYLCIASPHLL-UHFFFAOYSA-N 1 2 240.278 1.283 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ncc[nH]1 ZINC000858603181 588970597 /nfs/dbraw/zinc/97/05/97/588970597.db2.gz SYJRIVOXIMQKAX-GXSJLCMTSA-N 1 2 248.330 1.214 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)CNc1cccc[nH+]1 ZINC000900116693 584274253 /nfs/dbraw/zinc/27/42/53/584274253.db2.gz VAVUQSWSHPOUNQ-LLVKDONJSA-N 1 2 235.331 1.996 20 0 BDADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900118376 584274731 /nfs/dbraw/zinc/27/47/31/584274731.db2.gz FZRVJOVLPQKGEE-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1nnc(C2CC2)s1 ZINC000900266645 584290234 /nfs/dbraw/zinc/29/02/34/584290234.db2.gz YFZFOOGWBXMFDO-UHFFFAOYSA-N 1 2 249.299 1.320 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nnc(C2CC2)s1 ZINC000900266645 584290235 /nfs/dbraw/zinc/29/02/35/584290235.db2.gz YFZFOOGWBXMFDO-UHFFFAOYSA-N 1 2 249.299 1.320 20 0 BDADLO Cc1occc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900332200 584294321 /nfs/dbraw/zinc/29/43/21/584294321.db2.gz RXUIWFFXALNBNU-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO Cc1occc1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900332200 584294322 /nfs/dbraw/zinc/29/43/22/584294322.db2.gz RXUIWFFXALNBNU-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900346580 584296437 /nfs/dbraw/zinc/29/64/37/584296437.db2.gz KJYJVZRLTNBVBT-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900346580 584296438 /nfs/dbraw/zinc/29/64/38/584296438.db2.gz KJYJVZRLTNBVBT-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO CN(C)c1ccc(NC(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000900417515 584306607 /nfs/dbraw/zinc/30/66/07/584306607.db2.gz QALOFSYFUMROGQ-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO CN(C)c1ccc(NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC000900417515 584306608 /nfs/dbraw/zinc/30/66/08/584306608.db2.gz QALOFSYFUMROGQ-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2cnoc2)c[nH+]1 ZINC000900473220 584313993 /nfs/dbraw/zinc/31/39/93/584313993.db2.gz CLNHNNSGRBFEGZ-UHFFFAOYSA-N 1 2 234.259 1.553 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)n[nH]1 ZINC000900567059 584326466 /nfs/dbraw/zinc/32/64/66/584326466.db2.gz VVQCWCSNSSELJC-NXEZZACHSA-N 1 2 249.318 1.069 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)n[nH]1 ZINC000900567059 584326467 /nfs/dbraw/zinc/32/64/67/584326467.db2.gz VVQCWCSNSSELJC-NXEZZACHSA-N 1 2 249.318 1.069 20 0 BDADLO C[C@H]1CCCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900719083 584344280 /nfs/dbraw/zinc/34/42/80/584344280.db2.gz OONSUSZZRVYPKE-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO Cc1noc(C)c1[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900714040 584344461 /nfs/dbraw/zinc/34/44/61/584344461.db2.gz RAXRDGIVJUQWDH-ZETCQYMHSA-N 1 2 248.286 1.434 20 0 BDADLO Cc1noc(C)c1[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900714040 584344463 /nfs/dbraw/zinc/34/44/63/584344463.db2.gz RAXRDGIVJUQWDH-ZETCQYMHSA-N 1 2 248.286 1.434 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CC=CCC1 ZINC000900763179 584346513 /nfs/dbraw/zinc/34/65/13/584346513.db2.gz IQVZHFCZAQBECC-NSHDSACASA-N 1 2 231.299 1.718 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900742203 584348069 /nfs/dbraw/zinc/34/80/69/584348069.db2.gz FOEOGJPSFDNORA-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO CC(C)n1ccc(CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000900780761 584350282 /nfs/dbraw/zinc/35/02/82/584350282.db2.gz LXBBQTOTPBMDJI-UHFFFAOYSA-N 1 2 247.302 1.046 20 0 BDADLO CC(C)n1ccc(CNC(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900780761 584350283 /nfs/dbraw/zinc/35/02/83/584350283.db2.gz LXBBQTOTPBMDJI-UHFFFAOYSA-N 1 2 247.302 1.046 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900798022 584353277 /nfs/dbraw/zinc/35/32/77/584353277.db2.gz YNFPWYVKZAXARF-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO CC(C)(NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900834533 584355569 /nfs/dbraw/zinc/35/55/69/584355569.db2.gz YRLDWKLAXYFDHQ-UHFFFAOYSA-N 1 2 233.315 1.798 20 0 BDADLO CC[C@@]1(C)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900883573 584360837 /nfs/dbraw/zinc/36/08/37/584360837.db2.gz AXDMDDVKMVAXDF-ZDUSSCGKSA-N 1 2 235.331 1.991 20 0 BDADLO C/C(Cl)=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001504 584372892 /nfs/dbraw/zinc/37/28/92/584372892.db2.gz XCCWCMLHNDNFQP-GQCTYLIASA-N 1 2 227.695 1.785 20 0 BDADLO CC(Cl)=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001504 584372894 /nfs/dbraw/zinc/37/28/94/584372894.db2.gz XCCWCMLHNDNFQP-GQCTYLIASA-N 1 2 227.695 1.785 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C/[C@H]2CCCO2)[nH+]c1C ZINC000901001586 584373891 /nfs/dbraw/zinc/37/38/91/584373891.db2.gz XQEIYLJNOPKGLL-MVIFTORASA-N 1 2 249.314 1.378 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@H]2CCCO2)[nH+]c1C ZINC000901001586 584373892 /nfs/dbraw/zinc/37/38/92/584373892.db2.gz XQEIYLJNOPKGLL-MVIFTORASA-N 1 2 249.314 1.378 20 0 BDADLO CCC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000900991836 584374440 /nfs/dbraw/zinc/37/44/40/584374440.db2.gz NABJZIYPYSWOCV-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCC1(CNC(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC000900991836 584374441 /nfs/dbraw/zinc/37/44/41/584374441.db2.gz NABJZIYPYSWOCV-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC2CCC1CC2 ZINC000901122202 584387020 /nfs/dbraw/zinc/38/70/20/584387020.db2.gz KXCYEFYVJZBLPT-RTYFJBAXSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC2CCC1CC2 ZINC000901122202 584387021 /nfs/dbraw/zinc/38/70/21/584387021.db2.gz KXCYEFYVJZBLPT-RTYFJBAXSA-N 1 2 233.315 1.647 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000901205481 584399321 /nfs/dbraw/zinc/39/93/21/584399321.db2.gz POKLMNKHPOFBSL-WDEREUQCSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000901205481 584399322 /nfs/dbraw/zinc/39/93/22/584399322.db2.gz POKLMNKHPOFBSL-WDEREUQCSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1scnc1C1CC1 ZINC000901257324 584416403 /nfs/dbraw/zinc/41/64/03/584416403.db2.gz KHHUTXWGZRODMZ-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1scnc1C1CC1 ZINC000901257324 584416404 /nfs/dbraw/zinc/41/64/04/584416404.db2.gz KHHUTXWGZRODMZ-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC12CCCCC2 ZINC000901301349 584419380 /nfs/dbraw/zinc/41/93/80/584419380.db2.gz GUCJFFSOIGRCEA-LLVKDONJSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC12CCCCC2 ZINC000901301349 584419381 /nfs/dbraw/zinc/41/93/81/584419381.db2.gz GUCJFFSOIGRCEA-LLVKDONJSA-N 1 2 233.315 1.791 20 0 BDADLO CCCOC(=O)NCc1ccc[nH+]c1N(C)C ZINC000858901759 588983562 /nfs/dbraw/zinc/98/35/62/588983562.db2.gz KLGCGRRYVYCRRU-UHFFFAOYSA-N 1 2 237.303 1.784 20 0 BDADLO CC(C)CCOC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000858927127 588985772 /nfs/dbraw/zinc/98/57/72/588985772.db2.gz LJHXNZPLJSDZNK-NSHDSACASA-N 1 2 244.335 1.089 20 0 BDADLO CC(C)CCOC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000858927127 588985774 /nfs/dbraw/zinc/98/57/74/588985774.db2.gz LJHXNZPLJSDZNK-NSHDSACASA-N 1 2 244.335 1.089 20 0 BDADLO CCn1cc(CSCCn2cc[nH+]c2)nn1 ZINC000901863991 584501014 /nfs/dbraw/zinc/50/10/14/584501014.db2.gz QXSPVCGCSZZEMV-UHFFFAOYSA-N 1 2 237.332 1.428 20 0 BDADLO CCn1c[nH+]cc1C[NH2+][C@](C)(CCF)C(=O)[O-] ZINC000901915498 584503691 /nfs/dbraw/zinc/50/36/91/584503691.db2.gz NQMINEMFPQRWGD-LLVKDONJSA-N 1 2 243.282 1.196 20 0 BDADLO Cc1nnc(NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000902038149 584514914 /nfs/dbraw/zinc/51/49/14/584514914.db2.gz LWCBPMPNOAHAGK-UHFFFAOYSA-N 1 2 207.237 1.330 20 0 BDADLO c1cn(C2CC2)c(CNc2ccon2)[nH+]1 ZINC000902037379 584515109 /nfs/dbraw/zinc/51/51/09/584515109.db2.gz MVXNANDUQZLHGY-UHFFFAOYSA-N 1 2 204.233 1.818 20 0 BDADLO Cc1[nH]c(CNc2nc(C3CC3)no2)[nH+]c1C ZINC000902048425 584516735 /nfs/dbraw/zinc/51/67/35/584516735.db2.gz FVMFPDGKJDGUPH-UHFFFAOYSA-N 1 2 233.275 1.899 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902032846 584519155 /nfs/dbraw/zinc/51/91/55/584519155.db2.gz GZLATBDPGAFBGU-AAEUAGOBSA-N 1 2 248.301 1.693 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902032846 584519156 /nfs/dbraw/zinc/51/91/56/584519156.db2.gz GZLATBDPGAFBGU-AAEUAGOBSA-N 1 2 248.301 1.693 20 0 BDADLO COc1nnc(NCc2[nH]c(C)c(C)[nH+]2)s1 ZINC000902075114 584519943 /nfs/dbraw/zinc/51/99/43/584519943.db2.gz GIVNKEZAEMJEEC-UHFFFAOYSA-N 1 2 239.304 1.499 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cncc(CO)n1 ZINC000902103133 584523564 /nfs/dbraw/zinc/52/35/64/584523564.db2.gz SEVOAARZRFFGQV-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO Cc1ccc(CN2C(=O)NC[C@@H](C)C2=O)c(C)[nH+]1 ZINC000902154107 584531577 /nfs/dbraw/zinc/53/15/77/584531577.db2.gz FGHDBUTXSVCFPS-MRVPVSSYSA-N 1 2 247.298 1.386 20 0 BDADLO C[N@H+](Cn1ncc2sccc2c1=O)C1CCC1 ZINC000902159328 584532499 /nfs/dbraw/zinc/53/24/99/584532499.db2.gz XLRAWHCGAJXSQK-UHFFFAOYSA-N 1 2 249.339 1.900 20 0 BDADLO C[N@@H+](Cn1ncc2sccc2c1=O)C1CCC1 ZINC000902159328 584532501 /nfs/dbraw/zinc/53/25/01/584532501.db2.gz XLRAWHCGAJXSQK-UHFFFAOYSA-N 1 2 249.339 1.900 20 0 BDADLO Cc1ccn(Cc2ccc(N(C)C)[nH+]c2)c(=O)c1 ZINC000902240610 584543753 /nfs/dbraw/zinc/54/37/53/584543753.db2.gz OCIJXUBQPQCXHQ-UHFFFAOYSA-N 1 2 243.310 1.666 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCOC2=O)CC2(CCC2)O1 ZINC000902306674 584554399 /nfs/dbraw/zinc/55/43/99/584554399.db2.gz XJQKIMKOXGZIIS-SNVBAGLBSA-N 1 2 240.303 1.040 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)CC2(CCC2)O1 ZINC000902306674 584554400 /nfs/dbraw/zinc/55/44/00/584554400.db2.gz XJQKIMKOXGZIIS-SNVBAGLBSA-N 1 2 240.303 1.040 20 0 BDADLO CCn1c[nH+]c(CNc2ccc(OC)nc2)c1 ZINC000902316296 584555849 /nfs/dbraw/zinc/55/58/49/584555849.db2.gz GVKUEHBZUHGUPL-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO NC(CCO)=[NH+]OCc1ccsc1 ZINC000902332221 584563126 /nfs/dbraw/zinc/56/31/26/584563126.db2.gz KUNHALYIYQLTRO-UHFFFAOYSA-N 1 2 200.263 1.129 20 0 BDADLO Cc1ccc(F)c(CO[NH+]=C(N)CCO)c1F ZINC000902333724 584563561 /nfs/dbraw/zinc/56/35/61/584563561.db2.gz ZDFITYPMKLBMEE-UHFFFAOYSA-N 1 2 244.241 1.654 20 0 BDADLO Cc1nn(C)c(OCc2ccc(N)[nH+]c2)c1C ZINC000902383742 584577611 /nfs/dbraw/zinc/57/76/11/584577611.db2.gz ZUAFXSHGWFGXKB-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnc(F)c2)[C@@H](C)CO1 ZINC000859059725 588995485 /nfs/dbraw/zinc/99/54/85/588995485.db2.gz JJYQPMCSLSXSIH-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnc(F)c2)[C@@H](C)CO1 ZINC000859059725 588995486 /nfs/dbraw/zinc/99/54/86/588995486.db2.gz JJYQPMCSLSXSIH-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO Cc1c[nH]nc1COCc1ccc(N)[nH+]c1 ZINC000902464725 584612899 /nfs/dbraw/zinc/61/28/99/584612899.db2.gz BNIFIXKTNBAIOI-UHFFFAOYSA-N 1 2 218.260 1.412 20 0 BDADLO C[C@@H]([NH2+]Cc1csc(N)n1)c1ccn(C)n1 ZINC000902497710 584619259 /nfs/dbraw/zinc/61/92/59/584619259.db2.gz BQSHQCOXFOJDHX-SSDOTTSWSA-N 1 2 237.332 1.310 20 0 BDADLO CC[N@H+](CCOC)Cc1cc(Cl)n(C)n1 ZINC000859090807 589000408 /nfs/dbraw/zinc/00/04/08/589000408.db2.gz RNGGQSXRSBNRLR-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CC[N@@H+](CCOC)Cc1cc(Cl)n(C)n1 ZINC000859090807 589000410 /nfs/dbraw/zinc/00/04/10/589000410.db2.gz RNGGQSXRSBNRLR-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCn1c[nH+]c(CNC(C)(C)c2nc(C)no2)c1 ZINC000902538277 584628489 /nfs/dbraw/zinc/62/84/89/584628489.db2.gz RVMMZQNPTSTXFO-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO CNc1ccccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000902517081 584629845 /nfs/dbraw/zinc/62/98/45/584629845.db2.gz KFTZGXVZGYESLJ-JTQLQIEISA-N 1 2 245.330 1.708 20 0 BDADLO CC(C)CCOC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000859100295 589001730 /nfs/dbraw/zinc/00/17/30/589001730.db2.gz GANSFZGKMVWMKP-UHFFFAOYSA-N 1 2 237.303 1.923 20 0 BDADLO CCn1c[nH+]c(CNc2cncc(OC)c2)c1 ZINC000902628634 584646550 /nfs/dbraw/zinc/64/65/50/584646550.db2.gz ABRNHGPQMKXIBQ-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO O=C(COc1ccc2c[nH+]ccc2c1)NC1CC1 ZINC000902638100 584649363 /nfs/dbraw/zinc/64/93/63/584649363.db2.gz SATJKLAZOZDCKW-UHFFFAOYSA-N 1 2 242.278 1.892 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@@H]3CCOC3)ccc21 ZINC000902779833 584669498 /nfs/dbraw/zinc/66/94/98/584669498.db2.gz GXRMOUKUDAHXFA-SNVBAGLBSA-N 1 2 232.283 1.989 20 0 BDADLO Cn1c[nH+]c2cc(OCc3ncnn3C)ccc21 ZINC000902780277 584669636 /nfs/dbraw/zinc/66/96/36/584669636.db2.gz TZQLXRBGNWIKJB-UHFFFAOYSA-N 1 2 243.270 1.281 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1cn(C)nn1 ZINC000902884969 584689209 /nfs/dbraw/zinc/68/92/09/584689209.db2.gz QTSDNTNVSWQIEC-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902992122 584710166 /nfs/dbraw/zinc/71/01/66/584710166.db2.gz HLXNHMQLUMVHIZ-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902992122 584710167 /nfs/dbraw/zinc/71/01/67/584710167.db2.gz HLXNHMQLUMVHIZ-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CCC[C@@H](C[N@H+]2CCC[C@H](F)C2)C1 ZINC000902992124 584710439 /nfs/dbraw/zinc/71/04/39/584710439.db2.gz HLXNHMQLUMVHIZ-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CCC[C@@H](C[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902992124 584710440 /nfs/dbraw/zinc/71/04/40/584710440.db2.gz HLXNHMQLUMVHIZ-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](F)C1 ZINC000902994520 584712285 /nfs/dbraw/zinc/71/22/85/584712285.db2.gz DHUDTNARUIZATQ-SNVBAGLBSA-N 1 2 244.335 1.652 20 0 BDADLO Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](F)C1 ZINC000902994520 584712286 /nfs/dbraw/zinc/71/22/86/584712286.db2.gz DHUDTNARUIZATQ-SNVBAGLBSA-N 1 2 244.335 1.652 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003153 584716165 /nfs/dbraw/zinc/71/61/65/584716165.db2.gz KLIRQYXYGCUOMY-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003153 584716166 /nfs/dbraw/zinc/71/61/66/584716166.db2.gz KLIRQYXYGCUOMY-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](F)C2)C1 ZINC000903004012 584717100 /nfs/dbraw/zinc/71/71/00/584717100.db2.gz XJBHRTMFZSNJFD-NEPJUHHUSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](F)C2)C1 ZINC000903004012 584717101 /nfs/dbraw/zinc/71/71/01/584717101.db2.gz XJBHRTMFZSNJFD-NEPJUHHUSA-N 1 2 242.338 1.679 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000903338914 584751843 /nfs/dbraw/zinc/75/18/43/584751843.db2.gz UYRIKLPHNJWBGJ-SECBINFHSA-N 1 2 249.318 1.013 20 0 BDADLO C[C@@H]([NH2+]C/C=C\Cl)c1cc(CO)on1 ZINC000903446511 584769984 /nfs/dbraw/zinc/76/99/84/584769984.db2.gz YIKAGQWZDOEPAT-SKRYNEFJSA-N 1 2 216.668 1.570 20 0 BDADLO C1=CCN(C[C@H]2CCC3(CCOCC3)O2)[NH2+]C1 ZINC000903491015 584780767 /nfs/dbraw/zinc/78/07/67/584780767.db2.gz QYYXRUKZKZWOOF-GFCCVEGCSA-N 1 2 238.331 1.091 20 0 BDADLO C[C@H](c1noc(Cn2cc[nH+]c2)n1)[C@H]1CCCO1 ZINC000903815416 584801157 /nfs/dbraw/zinc/80/11/57/584801157.db2.gz JRRFTXVCQDEZHI-VHSXEESVSA-N 1 2 248.286 1.597 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccc(F)cn2)n1 ZINC000904076271 584839607 /nfs/dbraw/zinc/83/96/07/584839607.db2.gz ZHYPOSNGDBXSLJ-UHFFFAOYSA-N 1 2 236.250 1.304 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2CCOC2)n1 ZINC000904257694 584859540 /nfs/dbraw/zinc/85/95/40/584859540.db2.gz BUIJNNOBICEPSC-QMMMGPOBSA-N 1 2 246.270 1.526 20 0 BDADLO Cc1cc(N)nc(S[C@H]2CCCOC2)[nH+]1 ZINC000227081191 584913922 /nfs/dbraw/zinc/91/39/22/584913922.db2.gz OGEAPQLAOGFYAN-QMMMGPOBSA-N 1 2 225.317 1.638 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CCN1CCOC1=O ZINC000731104166 584922448 /nfs/dbraw/zinc/92/24/48/584922448.db2.gz DSMOTIJRMSXNAM-LLVKDONJSA-N 1 2 249.314 1.317 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CCN1CCOC1=O ZINC000731104166 584922449 /nfs/dbraw/zinc/92/24/49/584922449.db2.gz DSMOTIJRMSXNAM-LLVKDONJSA-N 1 2 249.314 1.317 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC1CCOCC1 ZINC000754685461 584927751 /nfs/dbraw/zinc/92/77/51/584927751.db2.gz FLRPSBFSMQJUOI-UHFFFAOYSA-N 1 2 238.287 1.280 20 0 BDADLO CCc1noc(-c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000731793118 584928939 /nfs/dbraw/zinc/92/89/39/584928939.db2.gz KJUZIYZXWSKKCA-UHFFFAOYSA-N 1 2 242.242 1.275 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)Cc2ccco2)c[nH+]1 ZINC000732268425 584935029 /nfs/dbraw/zinc/93/50/29/584935029.db2.gz GMSSRHYMPBVQGS-MRVPVSSYSA-N 1 2 233.271 1.672 20 0 BDADLO C/C(=C\Cl)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000788049109 584940842 /nfs/dbraw/zinc/94/08/42/584940842.db2.gz DQPHHRCCNYZUNJ-FPYGCLRLSA-N 1 2 248.735 1.478 20 0 BDADLO CCCC(C)=CC(=O)NCc1[nH]cc[nH+]1 ZINC000733955871 584955289 /nfs/dbraw/zinc/95/52/89/584955289.db2.gz QSIGFQKJIFFXJI-CLFYSBASSA-N 1 2 207.277 1.772 20 0 BDADLO CCC/C(C)=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000733955871 584955290 /nfs/dbraw/zinc/95/52/90/584955290.db2.gz QSIGFQKJIFFXJI-CLFYSBASSA-N 1 2 207.277 1.772 20 0 BDADLO CC(C)CNC(=S)N[C@H]1CCn2cc[nH+]c21 ZINC000840771425 584980676 /nfs/dbraw/zinc/98/06/76/584980676.db2.gz JHNYKWRIOPDSAU-VIFPVBQESA-N 1 2 238.360 1.448 20 0 BDADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCCS1 ZINC000816946128 584982186 /nfs/dbraw/zinc/98/21/86/584982186.db2.gz ABTADKYQWDGGFI-LLVKDONJSA-N 1 2 239.344 1.354 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000771994693 585011775 /nfs/dbraw/zinc/01/17/75/585011775.db2.gz POWUHRCOCHSRQB-WDEREUQCSA-N 1 2 238.287 1.384 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000736859574 585018023 /nfs/dbraw/zinc/01/80/23/585018023.db2.gz DINVJAPDRWMUBC-MNOVXSKESA-N 1 2 237.303 1.383 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000736859574 585018024 /nfs/dbraw/zinc/01/80/24/585018024.db2.gz DINVJAPDRWMUBC-MNOVXSKESA-N 1 2 237.303 1.383 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)c1ccco1 ZINC000890114231 585024118 /nfs/dbraw/zinc/02/41/18/585024118.db2.gz YYVUMIVEOSHBKG-VIFPVBQESA-N 1 2 233.271 1.433 20 0 BDADLO C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522931 585035195 /nfs/dbraw/zinc/03/51/95/585035195.db2.gz REBNASDCCHHDKI-RYUDHWBXSA-N 1 2 240.347 1.410 20 0 BDADLO C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522931 585035196 /nfs/dbraw/zinc/03/51/96/585035196.db2.gz REBNASDCCHHDKI-RYUDHWBXSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000737522931 585035197 /nfs/dbraw/zinc/03/51/97/585035197.db2.gz REBNASDCCHHDKI-RYUDHWBXSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@H]1[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000737522931 585035198 /nfs/dbraw/zinc/03/51/98/585035198.db2.gz REBNASDCCHHDKI-RYUDHWBXSA-N 1 2 240.347 1.410 20 0 BDADLO C[C@@]1(C(=O)OCCn2cc[nH+]c2)CCCCO1 ZINC000838437331 585058094 /nfs/dbraw/zinc/05/80/94/585058094.db2.gz SLZZZWHCMMPABK-LBPRGKRZSA-N 1 2 238.287 1.386 20 0 BDADLO CC1(C)CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000838639175 585064127 /nfs/dbraw/zinc/06/41/27/585064127.db2.gz NTABWPZOOJSGMS-JTQLQIEISA-N 1 2 248.330 1.769 20 0 BDADLO CC(C)C1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000838640418 585064136 /nfs/dbraw/zinc/06/41/36/585064136.db2.gz WSKMUPHFHZMOPG-LLVKDONJSA-N 1 2 248.330 1.625 20 0 BDADLO CC1=CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000838636667 585064183 /nfs/dbraw/zinc/06/41/83/585064183.db2.gz DNUQXLAHVOWMFG-LLVKDONJSA-N 1 2 246.314 1.690 20 0 BDADLO CCn1ncc(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000838819066 585072033 /nfs/dbraw/zinc/07/20/33/585072033.db2.gz PVONZKMGAGEAIQ-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000838819066 585072034 /nfs/dbraw/zinc/07/20/34/585072034.db2.gz PVONZKMGAGEAIQ-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](O)C2CC2)CCCCC1 ZINC000838849883 585074879 /nfs/dbraw/zinc/07/48/79/585074879.db2.gz LHUGJHJBYWYQMC-NSHDSACASA-N 1 2 241.331 1.223 20 0 BDADLO CCn1ncc(CNc2ccc(C)[nH+]c2C)n1 ZINC000838980719 585083983 /nfs/dbraw/zinc/08/39/83/585083983.db2.gz SIHJKMKHFQDEDU-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCn1ncc(C[N@H+](C)Cc2ccc(O)cc2)n1 ZINC000839096052 585090800 /nfs/dbraw/zinc/09/08/00/585090800.db2.gz KROBTFWGAPOITP-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1ncc(C[N@@H+](C)Cc2ccc(O)cc2)n1 ZINC000839096052 585090801 /nfs/dbraw/zinc/09/08/01/585090801.db2.gz KROBTFWGAPOITP-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1ncc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000839106015 585091128 /nfs/dbraw/zinc/09/11/28/585091128.db2.gz FUNPVLPUPRLPIN-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CCn1ncc(C[N@H+]2CCCc3occc3C2)n1 ZINC000839106015 585091129 /nfs/dbraw/zinc/09/11/29/585091129.db2.gz FUNPVLPUPRLPIN-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO COCC1(O)C[NH+](Cc2cc(C)oc2C)C1 ZINC000839143569 585094809 /nfs/dbraw/zinc/09/48/09/585094809.db2.gz QFEVDVATTNEFBK-UHFFFAOYSA-N 1 2 225.288 1.090 20 0 BDADLO CC(=O)COC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000741029556 585109465 /nfs/dbraw/zinc/10/94/65/585109465.db2.gz PUEBSHBGRQHDJW-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO NC(=[NH+]OC[C@H]1CCOC1)c1ccccc1 ZINC000741752725 585117688 /nfs/dbraw/zinc/11/76/88/585117688.db2.gz CBMWQANZLAFXNB-JTQLQIEISA-N 1 2 220.272 1.570 20 0 BDADLO O=C(C=Cc1ccsc1)NCc1c[nH+]c[nH]1 ZINC000742179065 585122388 /nfs/dbraw/zinc/12/23/88/585122388.db2.gz RULCJIJVNCDGFB-UPHRSURJSA-N 1 2 233.296 1.801 20 0 BDADLO O=C(C=Cc1ccsc1)NCc1c[nH]c[nH+]1 ZINC000742179065 585122389 /nfs/dbraw/zinc/12/23/89/585122389.db2.gz RULCJIJVNCDGFB-UPHRSURJSA-N 1 2 233.296 1.801 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000742194551 585122865 /nfs/dbraw/zinc/12/28/65/585122865.db2.gz HAURAXCIFZBDIY-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000742194551 585122866 /nfs/dbraw/zinc/12/28/66/585122866.db2.gz HAURAXCIFZBDIY-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO C[C@H]1COCC[N@@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000742255161 585123643 /nfs/dbraw/zinc/12/36/43/585123643.db2.gz QKXWJRANSGHXGS-JTQLQIEISA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1COCC[N@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000742255161 585123644 /nfs/dbraw/zinc/12/36/44/585123644.db2.gz QKXWJRANSGHXGS-JTQLQIEISA-N 1 2 240.347 1.312 20 0 BDADLO C[N@H+](C[C@H]1CCCCO1)Cn1cc[nH]c1=S ZINC000743355009 585135449 /nfs/dbraw/zinc/13/54/49/585135449.db2.gz CHNLXZTXYDVBQJ-SNVBAGLBSA-N 1 2 241.360 1.630 20 0 BDADLO C[N@@H+](C[C@H]1CCCCO1)Cn1cc[nH]c1=S ZINC000743355009 585135450 /nfs/dbraw/zinc/13/54/50/585135450.db2.gz CHNLXZTXYDVBQJ-SNVBAGLBSA-N 1 2 241.360 1.630 20 0 BDADLO C/C=C(/CC)C(=O)OCC[NH+]1CCOCC1 ZINC000789225327 585139082 /nfs/dbraw/zinc/13/90/82/585139082.db2.gz AWULOEIMWXPHQQ-JYOAFUTRSA-N 1 2 227.304 1.218 20 0 BDADLO CC1(COC(=O)c2ccc3[nH+]ccn3c2)COC1 ZINC000744996700 585155007 /nfs/dbraw/zinc/15/50/07/585155007.db2.gz OTCHSVRIMBMQPH-UHFFFAOYSA-N 1 2 246.266 1.528 20 0 BDADLO CCSCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745080404 585156393 /nfs/dbraw/zinc/15/63/93/585156393.db2.gz AFNRAEPUCRFXPV-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO CCSCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745080404 585156394 /nfs/dbraw/zinc/15/63/94/585156394.db2.gz AFNRAEPUCRFXPV-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO Cc1cccc(COC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000745083561 585156591 /nfs/dbraw/zinc/15/65/91/585156591.db2.gz XMVAGOXBYPEIDD-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cccc(COC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000745083561 585156592 /nfs/dbraw/zinc/15/65/92/585156592.db2.gz XMVAGOXBYPEIDD-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO C/C=C/C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746324139 585167344 /nfs/dbraw/zinc/16/73/44/585167344.db2.gz ZEEIJLVTOQIIOW-ONEGZZNKSA-N 1 2 246.301 1.750 20 0 BDADLO C/C=C/C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746324139 585167345 /nfs/dbraw/zinc/16/73/45/585167345.db2.gz ZEEIJLVTOQIIOW-ONEGZZNKSA-N 1 2 246.301 1.750 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CCF ZINC000746500212 585168825 /nfs/dbraw/zinc/16/88/25/585168825.db2.gz UPGDWUBFVZIIMD-NSHDSACASA-N 1 2 240.278 1.330 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CCF ZINC000746500212 585168826 /nfs/dbraw/zinc/16/88/26/585168826.db2.gz UPGDWUBFVZIIMD-NSHDSACASA-N 1 2 240.278 1.330 20 0 BDADLO Cc1cc(CN2CC[NH+](CCF)CC2)no1 ZINC000746499969 585168943 /nfs/dbraw/zinc/16/89/43/585168943.db2.gz POOWVSGEXUNFCL-UHFFFAOYSA-N 1 2 227.283 1.070 20 0 BDADLO CC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000746604575 585171018 /nfs/dbraw/zinc/17/10/18/585171018.db2.gz HTFJREIDWAIZAM-UHFFFAOYSA-N 1 2 212.318 1.599 20 0 BDADLO CC1(C)CCC[N@H+](Cn2ccsc2=O)C1 ZINC000746621959 585171158 /nfs/dbraw/zinc/17/11/58/585171158.db2.gz YRPAEBNOZRWBOU-UHFFFAOYSA-N 1 2 226.345 1.989 20 0 BDADLO CC1(C)CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000746621959 585171159 /nfs/dbraw/zinc/17/11/59/585171159.db2.gz YRPAEBNOZRWBOU-UHFFFAOYSA-N 1 2 226.345 1.989 20 0 BDADLO CC(C)OCCC[N@H+](C)Cn1ccsc1=O ZINC000746616522 585171209 /nfs/dbraw/zinc/17/12/09/585171209.db2.gz VJRNKGAFKYPUSW-UHFFFAOYSA-N 1 2 244.360 1.614 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cn1ccsc1=O ZINC000746616522 585171210 /nfs/dbraw/zinc/17/12/10/585171210.db2.gz VJRNKGAFKYPUSW-UHFFFAOYSA-N 1 2 244.360 1.614 20 0 BDADLO O=c1cc2c(nn1C[NH+]1CCCC1)CCCC2 ZINC000746658632 585172014 /nfs/dbraw/zinc/17/20/14/585172014.db2.gz UNKOZVTUQWXREZ-UHFFFAOYSA-N 1 2 233.315 1.175 20 0 BDADLO CCCN(C)C(=O)NCCNc1cccc[nH+]1 ZINC000746941247 585173710 /nfs/dbraw/zinc/17/37/10/585173710.db2.gz GECAICFZSFSJQU-UHFFFAOYSA-N 1 2 236.319 1.545 20 0 BDADLO CCC(C)(C)CC(=O)OCC[NH+]1CCOCC1 ZINC000747708656 585182627 /nfs/dbraw/zinc/18/26/27/585182627.db2.gz CAHOQRIRRAXUFG-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CC(C)CCC(=O)OCc1c[nH+]cn1C ZINC000747782642 585184158 /nfs/dbraw/zinc/18/41/58/585184158.db2.gz OPJUMLIBEDUEML-UHFFFAOYSA-N 1 2 210.277 1.900 20 0 BDADLO Cc1ncsc1C(=O)OCc1c[nH+]cn1C ZINC000747781530 585184355 /nfs/dbraw/zinc/18/43/55/585184355.db2.gz LIDCITNNPMOYRQ-UHFFFAOYSA-N 1 2 237.284 1.542 20 0 BDADLO C/C(=C/C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000748322178 585190637 /nfs/dbraw/zinc/19/06/37/585190637.db2.gz NABMJLGWBTUKLW-YWEYNIOJSA-N 1 2 205.261 1.382 20 0 BDADLO CC(=CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000748322178 585190638 /nfs/dbraw/zinc/19/06/38/585190638.db2.gz NABMJLGWBTUKLW-YWEYNIOJSA-N 1 2 205.261 1.382 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1cccc(Cl)n1 ZINC000748313067 585190660 /nfs/dbraw/zinc/19/06/60/585190660.db2.gz VFFIWYHZAJPPJS-UHFFFAOYSA-N 1 2 249.657 1.510 20 0 BDADLO CCc1ocnc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000748350371 585191420 /nfs/dbraw/zinc/19/14/20/585191420.db2.gz SEZPCBBSYINIED-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO CCc1ocnc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000748350371 585191421 /nfs/dbraw/zinc/19/14/21/585191421.db2.gz SEZPCBBSYINIED-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO O=C(CCCn1cc[nH+]c1)OCc1cccnc1 ZINC000748603871 585194346 /nfs/dbraw/zinc/19/43/46/585194346.db2.gz SNJLLQBFCALXMJ-UHFFFAOYSA-N 1 2 245.282 1.802 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1cccc(F)n1 ZINC000749091530 585199283 /nfs/dbraw/zinc/19/92/83/585199283.db2.gz JYMJLHZKGOIFTK-UHFFFAOYSA-N 1 2 248.261 1.124 20 0 BDADLO COCC[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749948658 585208775 /nfs/dbraw/zinc/20/87/75/585208775.db2.gz XYMNDTIAQNACNN-VXGBXAGGSA-N 1 2 240.347 1.313 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749948658 585208776 /nfs/dbraw/zinc/20/87/76/585208776.db2.gz XYMNDTIAQNACNN-VXGBXAGGSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[N@H+](CC)Cn1ncn(C)c1=S ZINC000750600959 585217872 /nfs/dbraw/zinc/21/78/72/585217872.db2.gz DFEOKNGAGKMOMX-UHFFFAOYSA-N 1 2 214.338 1.640 20 0 BDADLO CCC[N@@H+](CC)Cn1ncn(C)c1=S ZINC000750600959 585217873 /nfs/dbraw/zinc/21/78/73/585217873.db2.gz DFEOKNGAGKMOMX-UHFFFAOYSA-N 1 2 214.338 1.640 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cc2occc2[nH]1 ZINC000750811625 585220287 /nfs/dbraw/zinc/22/02/87/585220287.db2.gz KGLDXVWVFNGEPK-UHFFFAOYSA-N 1 2 244.254 1.424 20 0 BDADLO CS/C=C\C(=O)N(C)Cc1[nH+]ccn1C ZINC000751580283 585233526 /nfs/dbraw/zinc/23/35/26/585233526.db2.gz TWUJSUOQWITXRG-DAXSKMNVSA-N 1 2 225.317 1.255 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cn1nc2c(cc1=O)CCCC2 ZINC000751933237 585239477 /nfs/dbraw/zinc/23/94/77/585239477.db2.gz JCQLHUBTOFYOCQ-LLVKDONJSA-N 1 2 247.342 1.564 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cn1nc2c(cc1=O)CCCC2 ZINC000751933237 585239478 /nfs/dbraw/zinc/23/94/78/585239478.db2.gz JCQLHUBTOFYOCQ-LLVKDONJSA-N 1 2 247.342 1.564 20 0 BDADLO CO[C@H]1CC[N@H+](Cn2cccnc2=S)C1 ZINC000751946068 585239585 /nfs/dbraw/zinc/23/95/85/585239585.db2.gz DKGOSUIJRCHABE-VIFPVBQESA-N 1 2 225.317 1.291 20 0 BDADLO CO[C@H]1CC[N@@H+](Cn2cccnc2=S)C1 ZINC000751946068 585239586 /nfs/dbraw/zinc/23/95/86/585239586.db2.gz DKGOSUIJRCHABE-VIFPVBQESA-N 1 2 225.317 1.291 20 0 BDADLO C=C/C(C)=C\CC(=O)NCc1c[nH+]cn1C ZINC000752953764 585251886 /nfs/dbraw/zinc/25/18/86/585251886.db2.gz PHDJKJQYTPWHKO-YHYXMXQVSA-N 1 2 219.288 1.559 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1CCCOCC1 ZINC000753795103 585269376 /nfs/dbraw/zinc/26/93/76/585269376.db2.gz MWTBSVMWZBYSQQ-UHFFFAOYSA-N 1 2 229.711 1.525 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1CCCOCC1 ZINC000753795103 585269377 /nfs/dbraw/zinc/26/93/77/585269377.db2.gz MWTBSVMWZBYSQQ-UHFFFAOYSA-N 1 2 229.711 1.525 20 0 BDADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000753896888 585271860 /nfs/dbraw/zinc/27/18/60/585271860.db2.gz NPJMEGISOQMWPV-TXEJJXNPSA-N 1 2 239.315 1.193 20 0 BDADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000753896888 585271861 /nfs/dbraw/zinc/27/18/61/585271861.db2.gz NPJMEGISOQMWPV-TXEJJXNPSA-N 1 2 239.315 1.193 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)C1CCC1 ZINC000754106777 585278586 /nfs/dbraw/zinc/27/85/86/585278586.db2.gz SBRJTOJLTKVYBD-NSHDSACASA-N 1 2 239.315 1.383 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)C1CCC1 ZINC000754106777 585278587 /nfs/dbraw/zinc/27/85/87/585278587.db2.gz SBRJTOJLTKVYBD-NSHDSACASA-N 1 2 239.315 1.383 20 0 BDADLO CC(C)OCCNC(=O)c1cccc2[nH+]ccn21 ZINC000754678238 585289149 /nfs/dbraw/zinc/28/91/49/585289149.db2.gz AIEQQXBUCBLFDB-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO CC(C)[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000754686180 585289467 /nfs/dbraw/zinc/28/94/67/585289467.db2.gz YZHNNZDSSJENSX-VIFPVBQESA-N 1 2 210.277 1.755 20 0 BDADLO CCO[C@@H](CC)C(=O)OCc1c[nH+]cn1C ZINC000754688219 585289518 /nfs/dbraw/zinc/28/95/18/585289518.db2.gz XMDWDAGGTDTAMD-JTQLQIEISA-N 1 2 226.276 1.278 20 0 BDADLO C/C(=C/C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000754685438 585289555 /nfs/dbraw/zinc/28/95/55/585289555.db2.gz WHFVCLSAOLFRGL-UITAMQMPSA-N 1 2 220.272 1.820 20 0 BDADLO C/C(=C\C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000754685989 585289587 /nfs/dbraw/zinc/28/95/87/585289587.db2.gz WHFVCLSAOLFRGL-WEVVVXLNSA-N 1 2 220.272 1.820 20 0 BDADLO CCN1CC[N@H+](CCc2cccs2)CC1=O ZINC000755290276 585297158 /nfs/dbraw/zinc/29/71/58/585297158.db2.gz MLNHXWPIXMBGIS-UHFFFAOYSA-N 1 2 238.356 1.455 20 0 BDADLO CCN1CC[N@@H+](CCc2cccs2)CC1=O ZINC000755290276 585297159 /nfs/dbraw/zinc/29/71/59/585297159.db2.gz MLNHXWPIXMBGIS-UHFFFAOYSA-N 1 2 238.356 1.455 20 0 BDADLO CC(C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755885868 585309334 /nfs/dbraw/zinc/30/93/34/585309334.db2.gz GGZRXDJFWPROPW-UHFFFAOYSA-N 1 2 222.288 1.847 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC(F)(F)CC2)[nH]1 ZINC000839587493 585332170 /nfs/dbraw/zinc/33/21/70/585332170.db2.gz DJLMQEGNOUWMJZ-ZETCQYMHSA-N 1 2 230.262 1.905 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](O)C1CC1)C2 ZINC000839632534 585333124 /nfs/dbraw/zinc/33/31/24/585333124.db2.gz JXGYNHABLJHVKD-OAHLLOKOSA-N 1 2 245.322 1.976 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](O)C1CC1)C2 ZINC000839632534 585333125 /nfs/dbraw/zinc/33/31/25/585333125.db2.gz JXGYNHABLJHVKD-OAHLLOKOSA-N 1 2 245.322 1.976 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000839660601 585334336 /nfs/dbraw/zinc/33/43/36/585334336.db2.gz NDBSFJNUKYLZIL-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CC[N@H+](CCOC)Cn1cc(C)cnc1=S ZINC000758304822 585353376 /nfs/dbraw/zinc/35/33/76/585353376.db2.gz ITIZKGGOCYBXNT-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO CC[N@@H+](CCOC)Cn1cc(C)cnc1=S ZINC000758304822 585353377 /nfs/dbraw/zinc/35/33/77/585353377.db2.gz ITIZKGGOCYBXNT-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO CC(F)(F)CC(=O)OCCn1cc[nH+]c1 ZINC000758730499 585359181 /nfs/dbraw/zinc/35/91/81/585359181.db2.gz MPRGUQNESMIPAC-UHFFFAOYSA-N 1 2 218.203 1.472 20 0 BDADLO Fc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccn1 ZINC000859221588 589021323 /nfs/dbraw/zinc/02/13/23/589021323.db2.gz VKMWIJMLIKELED-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cc(C[N@H+]2CCOC3(CCC3)C2)ccn1 ZINC000859221588 589021325 /nfs/dbraw/zinc/02/13/25/589021325.db2.gz VKMWIJMLIKELED-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO C[N@H+](Cc1ccnc(Cl)c1)[C@@H]1CCNC1=O ZINC000759432470 585372895 /nfs/dbraw/zinc/37/28/95/585372895.db2.gz DLOUADQDQAQMTJ-SECBINFHSA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1ccnc(Cl)c1)[C@@H]1CCNC1=O ZINC000759432470 585372896 /nfs/dbraw/zinc/37/28/96/585372896.db2.gz DLOUADQDQAQMTJ-SECBINFHSA-N 1 2 239.706 1.055 20 0 BDADLO CC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000759741026 585379876 /nfs/dbraw/zinc/37/98/76/585379876.db2.gz VOZHZKSAEJFLLU-UHFFFAOYSA-N 1 2 204.229 1.706 20 0 BDADLO C/C=C\COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000759809360 585380405 /nfs/dbraw/zinc/38/04/05/585380405.db2.gz JCNPPRYBSVJQAQ-UMBAGQNISA-N 1 2 229.345 1.543 20 0 BDADLO Cc1cccnc1C=CC(=O)NCc1c[nH+]c[nH]1 ZINC000759876108 585381896 /nfs/dbraw/zinc/38/18/96/585381896.db2.gz JAKPYOLPZWGECQ-PLNGDYQASA-N 1 2 242.282 1.443 20 0 BDADLO Cc1cccnc1C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000759876108 585381897 /nfs/dbraw/zinc/38/18/97/585381897.db2.gz JAKPYOLPZWGECQ-PLNGDYQASA-N 1 2 242.282 1.443 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000760886155 585400917 /nfs/dbraw/zinc/40/09/17/585400917.db2.gz MDEYNPABVPYFFO-UHFFFAOYSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761077048 585406188 /nfs/dbraw/zinc/40/61/88/585406188.db2.gz MMNUFPCDQNGUMJ-SECBINFHSA-N 1 2 223.320 1.427 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)[C@H](C)C1 ZINC000761077048 585406189 /nfs/dbraw/zinc/40/61/89/585406189.db2.gz MMNUFPCDQNGUMJ-SECBINFHSA-N 1 2 223.320 1.427 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H]3C[C@H]32)no1 ZINC000761089280 585407628 /nfs/dbraw/zinc/40/76/28/585407628.db2.gz HWMCBTWDXXCXKR-DTWKUNHWSA-N 1 2 207.277 1.616 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H]3C[C@H]32)no1 ZINC000761089280 585407629 /nfs/dbraw/zinc/40/76/29/585407629.db2.gz HWMCBTWDXXCXKR-DTWKUNHWSA-N 1 2 207.277 1.616 20 0 BDADLO COC(=O)/C(C)=C/C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000761114135 585410590 /nfs/dbraw/zinc/41/05/90/585410590.db2.gz LAZOGXQCXIYBJN-YCRREMRBSA-N 1 2 245.269 1.837 20 0 BDADLO CC(C)[N@H+](C)Cc1nc([C@@]2(C)CCCO2)no1 ZINC000763323455 585446341 /nfs/dbraw/zinc/44/63/41/585446341.db2.gz OJUNYLPWKGPHRY-GFCCVEGCSA-N 1 2 239.319 1.935 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc([C@@]2(C)CCCO2)no1 ZINC000763323455 585446342 /nfs/dbraw/zinc/44/63/42/585446342.db2.gz OJUNYLPWKGPHRY-GFCCVEGCSA-N 1 2 239.319 1.935 20 0 BDADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C/C(Cl)=C\Cl ZINC000763567052 585451132 /nfs/dbraw/zinc/45/11/32/585451132.db2.gz RALSCQZSJYMCDN-CNTVWIKJSA-N 1 2 249.141 1.658 20 0 BDADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C/C(Cl)=C\Cl ZINC000763567052 585451133 /nfs/dbraw/zinc/45/11/33/585451133.db2.gz RALSCQZSJYMCDN-CNTVWIKJSA-N 1 2 249.141 1.658 20 0 BDADLO CC[NH+](CC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000763876621 585455774 /nfs/dbraw/zinc/45/57/74/585455774.db2.gz VRZPYTVJBBSCLM-SSDOTTSWSA-N 1 2 244.232 1.345 20 0 BDADLO CC[C@H](C)CO[NH+]=C(N)COC(C)C ZINC000764548728 585467435 /nfs/dbraw/zinc/46/74/35/585467435.db2.gz KENTXWQNWHECHU-VIFPVBQESA-N 1 2 202.298 1.956 20 0 BDADLO c1cc(CNc2cc(N3CCCC3)nc[nH+]2)no1 ZINC000764849807 585475938 /nfs/dbraw/zinc/47/59/38/585475938.db2.gz INSDEKYKONKDHR-UHFFFAOYSA-N 1 2 245.286 1.677 20 0 BDADLO c1cc(CNc2cc(N3CCCC3)[nH+]cn2)no1 ZINC000764849807 585475939 /nfs/dbraw/zinc/47/59/39/585475939.db2.gz INSDEKYKONKDHR-UHFFFAOYSA-N 1 2 245.286 1.677 20 0 BDADLO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000766038121 585496844 /nfs/dbraw/zinc/49/68/44/585496844.db2.gz HURFQLVROWCNJG-OUAUKWLOSA-N 1 2 241.331 1.484 20 0 BDADLO CC(C)n1nccc1C(=O)OCc1c[nH+]cn1C ZINC000766380115 585501540 /nfs/dbraw/zinc/50/15/40/585501540.db2.gz FHSAYILMZOVTMW-UHFFFAOYSA-N 1 2 248.286 1.555 20 0 BDADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC1 ZINC000766387648 585501675 /nfs/dbraw/zinc/50/16/75/585501675.db2.gz RAFPYVSQPISIEF-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCC(=O)C1CC1 ZINC000767396236 585519136 /nfs/dbraw/zinc/51/91/36/585519136.db2.gz NYUXUAFYTXDFPS-KCWFYHRYSA-N 1 2 243.372 1.197 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCC(=O)C1CC1 ZINC000767396236 585519137 /nfs/dbraw/zinc/51/91/37/585519137.db2.gz NYUXUAFYTXDFPS-KCWFYHRYSA-N 1 2 243.372 1.197 20 0 BDADLO CC(=O)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000768342476 585536348 /nfs/dbraw/zinc/53/63/48/585536348.db2.gz GANXOTNAYXGWNX-UHFFFAOYSA-N 1 2 245.282 1.385 20 0 BDADLO COC1C[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000768553654 585540377 /nfs/dbraw/zinc/54/03/77/585540377.db2.gz DPNFEMKUMPZLAG-UHFFFAOYSA-N 1 2 227.254 1.838 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)OCc2ccccc2)C[C@H]1O ZINC000768769061 585542751 /nfs/dbraw/zinc/54/27/51/585542751.db2.gz QHSWLDWESFJWOL-DGCLKSJQSA-N 1 2 249.310 1.042 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)OCc2ccccc2)C[C@H]1O ZINC000768769061 585542752 /nfs/dbraw/zinc/54/27/52/585542752.db2.gz QHSWLDWESFJWOL-DGCLKSJQSA-N 1 2 249.310 1.042 20 0 BDADLO CCOCCCO[NH+]=C(N)COC(C)(C)C ZINC000768933150 585546277 /nfs/dbraw/zinc/54/62/77/585546277.db2.gz SLMDGIHULZQEPD-UHFFFAOYSA-N 1 2 232.324 1.727 20 0 BDADLO CSCCO[NH+]=C(N)COC(C)(C)C ZINC000768934107 585546548 /nfs/dbraw/zinc/54/65/48/585546548.db2.gz YFJVASFSOPAKGC-UHFFFAOYSA-N 1 2 220.338 1.663 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)co1 ZINC000769558888 585559703 /nfs/dbraw/zinc/55/97/03/585559703.db2.gz XRWQDALPOBQOHV-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)co1 ZINC000769558888 585559704 /nfs/dbraw/zinc/55/97/04/585559704.db2.gz XRWQDALPOBQOHV-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO CCO[C@H](C)C(=O)OCc1c[nH+]ccc1OC ZINC000805400143 585571243 /nfs/dbraw/zinc/57/12/43/585571243.db2.gz PAEUFSJQFGSHEQ-SECBINFHSA-N 1 2 239.271 1.558 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000770393352 585573724 /nfs/dbraw/zinc/57/37/24/585573724.db2.gz SPIZWPYOCWNJMS-LLVKDONJSA-N 1 2 236.271 1.306 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000770393352 585573725 /nfs/dbraw/zinc/57/37/25/585573725.db2.gz SPIZWPYOCWNJMS-LLVKDONJSA-N 1 2 236.271 1.306 20 0 BDADLO CCN(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000770417750 585573953 /nfs/dbraw/zinc/57/39/53/585573953.db2.gz MYVXDACQCYGDGN-UHFFFAOYSA-N 1 2 229.283 1.959 20 0 BDADLO CSC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770428422 585573955 /nfs/dbraw/zinc/57/39/55/585573955.db2.gz ZGOBNUQCURSCHS-SECBINFHSA-N 1 2 249.339 1.816 20 0 BDADLO CCONC(=O)c1cccc2[nH+]ccn21 ZINC000770642924 585578728 /nfs/dbraw/zinc/57/87/28/585578728.db2.gz AOKBTSSFMVXQSL-UHFFFAOYSA-N 1 2 205.217 1.016 20 0 BDADLO Cc1cnc([C@H](C)O[NH+]=C(N)COC(C)C)o1 ZINC000770693258 585579987 /nfs/dbraw/zinc/57/99/87/585579987.db2.gz HJPMQZINBKQBID-VIFPVBQESA-N 1 2 241.291 1.967 20 0 BDADLO Cc1ccc(COC(=O)c2cnn(C)c2)c(C)[nH+]1 ZINC000771910074 585604308 /nfs/dbraw/zinc/60/43/08/585604308.db2.gz GQOMNHDWRUGSKJ-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO O=C(C=C1CCCC1)OCCn1cc[nH+]c1 ZINC000771925540 585604588 /nfs/dbraw/zinc/60/45/88/585604588.db2.gz MEMUBHYZKUCZDP-UHFFFAOYSA-N 1 2 220.272 1.927 20 0 BDADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000771984466 585606232 /nfs/dbraw/zinc/60/62/32/585606232.db2.gz PSGCDYDLLNLVBT-SECBINFHSA-N 1 2 208.261 1.472 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000771996181 585606509 /nfs/dbraw/zinc/60/65/09/585606509.db2.gz OUONJXCTTSIALD-GDNZZTSVSA-N 1 2 234.299 1.863 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)oc1C ZINC000772002815 585606533 /nfs/dbraw/zinc/60/65/33/585606533.db2.gz ORSYOBJIJNVKQX-UHFFFAOYSA-N 1 2 234.255 1.950 20 0 BDADLO Cc1ccc(COC(=O)CC2(CO)CC2)c(C)[nH+]1 ZINC000772186036 585609777 /nfs/dbraw/zinc/60/97/77/585609777.db2.gz BKMOQMMXGPFKLQ-UHFFFAOYSA-N 1 2 249.310 1.904 20 0 BDADLO Cc1ccc(COC(=O)C2(CCO)CC2)c(C)[nH+]1 ZINC000772363592 585612900 /nfs/dbraw/zinc/61/29/00/585612900.db2.gz ABLMAQNRDQMNNW-UHFFFAOYSA-N 1 2 249.310 1.904 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2CCCC2)C1 ZINC000805468213 585620284 /nfs/dbraw/zinc/62/02/84/585620284.db2.gz DDOMMBZPQLPDBK-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCC2CCCC2)C1 ZINC000805468213 585620285 /nfs/dbraw/zinc/62/02/85/585620285.db2.gz DDOMMBZPQLPDBK-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cn1cc[nH]c1=S ZINC000772821696 585624098 /nfs/dbraw/zinc/62/40/98/585624098.db2.gz NFFFERFDERNSCF-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cn1cc[nH]c1=S ZINC000772821696 585624099 /nfs/dbraw/zinc/62/40/99/585624099.db2.gz NFFFERFDERNSCF-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO CC/C=C\CCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805471565 585624243 /nfs/dbraw/zinc/62/42/43/585624243.db2.gz NYPLIBJKULKQOI-FOQNGQEVSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C\CCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805471565 585624244 /nfs/dbraw/zinc/62/42/44/585624244.db2.gz NYPLIBJKULKQOI-FOQNGQEVSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cn1cc(Cl)cn1 ZINC000772820483 585624559 /nfs/dbraw/zinc/62/45/59/585624559.db2.gz IFHFVCUJGNFVIK-SECBINFHSA-N 1 2 229.711 1.605 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cn1cc(Cl)cn1 ZINC000772820483 585624560 /nfs/dbraw/zinc/62/45/60/585624560.db2.gz IFHFVCUJGNFVIK-SECBINFHSA-N 1 2 229.711 1.605 20 0 BDADLO C/C=C(\C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772813494 585624801 /nfs/dbraw/zinc/62/48/01/585624801.db2.gz OFJVEXDNVVBLKG-IPQKIJNHSA-N 1 2 219.288 1.349 20 0 BDADLO CC=C(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772813494 585624802 /nfs/dbraw/zinc/62/48/02/585624802.db2.gz OFJVEXDNVVBLKG-IPQKIJNHSA-N 1 2 219.288 1.349 20 0 BDADLO C[C@@H](CC(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000773831762 585644441 /nfs/dbraw/zinc/64/44/41/585644441.db2.gz ZLCAUPOWEALXLQ-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)NCCc2c[nH+]cn2C)C1 ZINC000773829629 585644574 /nfs/dbraw/zinc/64/45/74/585644574.db2.gz HPGPXLINUVOFMA-HQQGHWSLSA-N 1 2 247.342 1.825 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(F)CCCC1 ZINC000773830954 585644630 /nfs/dbraw/zinc/64/46/30/585644630.db2.gz SXWVCHXTNZHEFD-UHFFFAOYSA-N 1 2 239.294 1.361 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC000774211036 585654042 /nfs/dbraw/zinc/65/40/42/585654042.db2.gz JPJCJZUTDWQVCO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC000774211036 585654043 /nfs/dbraw/zinc/65/40/43/585654043.db2.gz JPJCJZUTDWQVCO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000774905450 585668885 /nfs/dbraw/zinc/66/88/85/585668885.db2.gz NDXRDMMFNANWPP-YRORDHRNSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCC=CO1 ZINC000774905450 585668886 /nfs/dbraw/zinc/66/88/86/585668886.db2.gz NDXRDMMFNANWPP-YRORDHRNSA-N 1 2 243.372 1.520 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1nccs1 ZINC000775988303 585688711 /nfs/dbraw/zinc/68/87/11/585688711.db2.gz LFOFWMNVROIJBS-UHFFFAOYSA-N 1 2 222.317 1.866 20 0 BDADLO CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC000776325113 585695655 /nfs/dbraw/zinc/69/56/55/585695655.db2.gz HSNFCBAWEKHSMP-UHFFFAOYSA-N 1 2 223.320 1.659 20 0 BDADLO c1nncn1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000776756965 585703951 /nfs/dbraw/zinc/70/39/51/585703951.db2.gz SZUUEELMBPSNTE-ZDUSSCGKSA-N 1 2 244.298 1.309 20 0 BDADLO c1nncn1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000776756965 585703952 /nfs/dbraw/zinc/70/39/52/585703952.db2.gz SZUUEELMBPSNTE-ZDUSSCGKSA-N 1 2 244.298 1.309 20 0 BDADLO Fc1cccc([C@H]2CC[N@@H+]2Cn2cnnc2)c1 ZINC000776760878 585704836 /nfs/dbraw/zinc/70/48/36/585704836.db2.gz WXZDLBDNJRMONZ-GFCCVEGCSA-N 1 2 232.262 1.822 20 0 BDADLO Fc1cccc([C@H]2CC[N@H+]2Cn2cnnc2)c1 ZINC000776760878 585704837 /nfs/dbraw/zinc/70/48/37/585704837.db2.gz WXZDLBDNJRMONZ-GFCCVEGCSA-N 1 2 232.262 1.822 20 0 BDADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCOC1 ZINC000776899348 585706653 /nfs/dbraw/zinc/70/66/53/585706653.db2.gz ASVGPFJSLVNDAI-JTQLQIEISA-N 1 2 245.282 1.195 20 0 BDADLO COCC(C)(C)NC(=O)c1cccc2[nH+]ccn21 ZINC000776895493 585706809 /nfs/dbraw/zinc/70/68/09/585706809.db2.gz ATMBYULOXSMINR-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO COC(C)(C)CNC(=O)c1cccc2[nH+]ccn21 ZINC000776963186 585706915 /nfs/dbraw/zinc/70/69/15/585706915.db2.gz VWFLUYSFYPRLIS-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO FC(F)(F)C1=CC[N@H+](CC2OCCO2)CC1 ZINC000777714698 585718848 /nfs/dbraw/zinc/71/88/48/585718848.db2.gz ZTJHLDNGWGJQKI-UHFFFAOYSA-N 1 2 237.221 1.554 20 0 BDADLO FC(F)(F)C1=CC[N@@H+](CC2OCCO2)CC1 ZINC000777714698 585718849 /nfs/dbraw/zinc/71/88/49/585718849.db2.gz ZTJHLDNGWGJQKI-UHFFFAOYSA-N 1 2 237.221 1.554 20 0 BDADLO C[C@H]1CC[N@H+](CN2C(=O)CC23CCC3)C[C@@H]1F ZINC000777965123 585724677 /nfs/dbraw/zinc/72/46/77/585724677.db2.gz UVDAXRXPJPVFGA-QWRGUYRKSA-N 1 2 240.322 1.779 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C(=O)CC23CCC3)C[C@@H]1F ZINC000777965123 585724678 /nfs/dbraw/zinc/72/46/78/585724678.db2.gz UVDAXRXPJPVFGA-QWRGUYRKSA-N 1 2 240.322 1.779 20 0 BDADLO NC(=O)c1coc(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000778202512 585727521 /nfs/dbraw/zinc/72/75/21/585727521.db2.gz VLDNJFHOURDUCB-UHFFFAOYSA-N 1 2 249.245 1.202 20 0 BDADLO Cc1ncc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000778229119 585728297 /nfs/dbraw/zinc/72/82/97/585728297.db2.gz VOGZWYLTAJPZIA-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nonc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000778228336 585728590 /nfs/dbraw/zinc/72/85/90/585728590.db2.gz JFPVSLDJPVULGR-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778239482 585729017 /nfs/dbraw/zinc/72/90/17/585729017.db2.gz YPIBYLXRSCURPX-CVPURCMJSA-N 1 2 229.295 1.786 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778239482 585729018 /nfs/dbraw/zinc/72/90/18/585729018.db2.gz YPIBYLXRSCURPX-CVPURCMJSA-N 1 2 229.295 1.786 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)nc1 ZINC000778247145 585729292 /nfs/dbraw/zinc/72/92/92/585729292.db2.gz VOCLUSLMLZOVLI-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)nc1 ZINC000778247145 585729293 /nfs/dbraw/zinc/72/92/93/585729293.db2.gz VOCLUSLMLZOVLI-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2CCC(F)(F)F ZINC000778246144 585729355 /nfs/dbraw/zinc/72/93/55/585729355.db2.gz QTEROGJHAGMERT-VIFPVBQESA-N 1 2 237.221 1.720 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2CCC(F)(F)F ZINC000778246144 585729356 /nfs/dbraw/zinc/72/93/56/585729356.db2.gz QTEROGJHAGMERT-VIFPVBQESA-N 1 2 237.221 1.720 20 0 BDADLO Cc1cccc(C[N@@H+]2CCC[C@@]23CCOC3=O)n1 ZINC000778241748 585729381 /nfs/dbraw/zinc/72/93/81/585729381.db2.gz FPTUPHUOUAUTFX-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cccc(C[N@H+]2CCC[C@@]23CCOC3=O)n1 ZINC000778241748 585729382 /nfs/dbraw/zinc/72/93/82/585729382.db2.gz FPTUPHUOUAUTFX-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO CC(C)(C(=O)OCC(=O)C1CC1)[NH+]1CCCC1 ZINC000805609295 585736095 /nfs/dbraw/zinc/73/60/95/585736095.db2.gz OBWOBDQCZYMORI-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)CC1(C)COC1 ZINC000778988322 585743530 /nfs/dbraw/zinc/74/35/30/585743530.db2.gz IBQDTNZVOQZSIH-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)CC1(C)COC1 ZINC000778988322 585743531 /nfs/dbraw/zinc/74/35/31/585743531.db2.gz IBQDTNZVOQZSIH-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094705 585745200 /nfs/dbraw/zinc/74/52/00/585745200.db2.gz DZZUFERZOHBBOU-QMMMGPOBSA-N 1 2 225.267 1.062 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(F)nc1 ZINC000779158409 585746291 /nfs/dbraw/zinc/74/62/91/585746291.db2.gz QTPSMPIWQNCTOL-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(F)nc1 ZINC000779158409 585746292 /nfs/dbraw/zinc/74/62/92/585746292.db2.gz QTPSMPIWQNCTOL-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000780937773 585786751 /nfs/dbraw/zinc/78/67/51/585786751.db2.gz GLRFBZXHPXJWPM-MDZDMXLPSA-N 1 2 221.304 1.815 20 0 BDADLO Cn1nccc1CO[NH+]=C(N)Cc1cccnc1 ZINC000781156888 585791692 /nfs/dbraw/zinc/79/16/92/585791692.db2.gz WNJQPPJPHRZDFW-UHFFFAOYSA-N 1 2 245.286 1.056 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC=CO1 ZINC000781475225 585796697 /nfs/dbraw/zinc/79/66/97/585796697.db2.gz MRJFTTMRBDSWNX-GFCCVEGCSA-N 1 2 249.314 1.472 20 0 BDADLO S=c1[nH]ccn1C[N@@H+]1CCOCC2(CC2)C1 ZINC000782303168 585814497 /nfs/dbraw/zinc/81/44/97/585814497.db2.gz WZTSEPWWCGWHQJ-UHFFFAOYSA-N 1 2 239.344 1.242 20 0 BDADLO S=c1[nH]ccn1C[N@H+]1CCOCC2(CC2)C1 ZINC000782303168 585814498 /nfs/dbraw/zinc/81/44/98/585814498.db2.gz WZTSEPWWCGWHQJ-UHFFFAOYSA-N 1 2 239.344 1.242 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(F)c1 ZINC000782585749 585821071 /nfs/dbraw/zinc/82/10/71/585821071.db2.gz PNEUOHWCQXPTSM-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(F)c1 ZINC000782585749 585821072 /nfs/dbraw/zinc/82/10/72/585821072.db2.gz PNEUOHWCQXPTSM-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO CCc1cnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782607573 585821595 /nfs/dbraw/zinc/82/15/95/585821595.db2.gz KCFUNDMGYILFFZ-JOYOIKCWSA-N 1 2 222.288 1.051 20 0 BDADLO CCc1cnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782607573 585821596 /nfs/dbraw/zinc/82/15/96/585821596.db2.gz KCFUNDMGYILFFZ-JOYOIKCWSA-N 1 2 222.288 1.051 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC000782609854 585821827 /nfs/dbraw/zinc/82/18/27/585821827.db2.gz RZHIDFYWUXQKFH-XCBNKYQSSA-N 1 2 244.747 1.611 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC000782609854 585821828 /nfs/dbraw/zinc/82/18/28/585821828.db2.gz RZHIDFYWUXQKFH-XCBNKYQSSA-N 1 2 244.747 1.611 20 0 BDADLO C/C=C(\C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782726363 585824247 /nfs/dbraw/zinc/82/42/47/585824247.db2.gz KLBKPODVXNMVCU-RUDMXATFSA-N 1 2 219.288 1.500 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCO[C@@H](C)C1 ZINC000783040740 585827424 /nfs/dbraw/zinc/82/74/24/585827424.db2.gz UTKFZPGUTZKQRS-IVZWLZJFSA-N 1 2 230.308 1.335 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCCS1 ZINC000783228003 585831410 /nfs/dbraw/zinc/83/14/10/585831410.db2.gz WCPPTDYOFAYYMQ-SNVBAGLBSA-N 1 2 240.328 1.712 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)[C@@H](C)[C@H](C)O1 ZINC000783540904 585836397 /nfs/dbraw/zinc/83/63/97/585836397.db2.gz PYAKRUVBAJUKNA-VWYCJHECSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)[C@@H](C)[C@H](C)O1 ZINC000783540904 585836398 /nfs/dbraw/zinc/83/63/98/585836398.db2.gz PYAKRUVBAJUKNA-VWYCJHECSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCOC2=S)[C@@H](C)[C@@H](C)O1 ZINC000783542258 585836480 /nfs/dbraw/zinc/83/64/80/585836480.db2.gz IYUGNQILYSNVJA-KXUCPTDWSA-N 1 2 244.360 1.059 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCOC2=S)[C@@H](C)[C@@H](C)O1 ZINC000783542258 585836481 /nfs/dbraw/zinc/83/64/81/585836481.db2.gz IYUGNQILYSNVJA-KXUCPTDWSA-N 1 2 244.360 1.059 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCCCS2)CC[N@@H+]1C ZINC000783651657 585839340 /nfs/dbraw/zinc/83/93/40/585839340.db2.gz XSSFWKKSCYMUQY-QWRGUYRKSA-N 1 2 242.388 1.435 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCCCS2)CC[N@H+]1C ZINC000783651657 585839341 /nfs/dbraw/zinc/83/93/41/585839341.db2.gz XSSFWKKSCYMUQY-QWRGUYRKSA-N 1 2 242.388 1.435 20 0 BDADLO c1c[nH]c([C@H]2CCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000783674125 585839893 /nfs/dbraw/zinc/83/98/93/585839893.db2.gz UTLOVLUQRVUQKH-SNVBAGLBSA-N 1 2 217.276 1.470 20 0 BDADLO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000783674125 585839894 /nfs/dbraw/zinc/83/98/94/585839894.db2.gz UTLOVLUQRVUQKH-SNVBAGLBSA-N 1 2 217.276 1.470 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2cn[nH]c2)[nH]1 ZINC000783674125 585839895 /nfs/dbraw/zinc/83/98/95/585839895.db2.gz UTLOVLUQRVUQKH-SNVBAGLBSA-N 1 2 217.276 1.470 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000783727751 585840877 /nfs/dbraw/zinc/84/08/77/585840877.db2.gz CRVCNWKCCXNXDR-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000783727751 585840878 /nfs/dbraw/zinc/84/08/78/585840878.db2.gz CRVCNWKCCXNXDR-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)s1 ZINC000783729083 585840936 /nfs/dbraw/zinc/84/09/36/585840936.db2.gz LXINPXAJFLWUHU-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)s1 ZINC000783729083 585840937 /nfs/dbraw/zinc/84/09/37/585840937.db2.gz LXINPXAJFLWUHU-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000784087524 585849148 /nfs/dbraw/zinc/84/91/48/585849148.db2.gz HWSPAPCKFCFHAF-KPPDAEKUSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000784495903 585861417 /nfs/dbraw/zinc/86/14/17/585861417.db2.gz WCAQDUQPWFXXNQ-QWRGUYRKSA-N 1 2 238.287 1.241 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cccc(F)n1 ZINC000784645717 585865166 /nfs/dbraw/zinc/86/51/66/585865166.db2.gz GQJOIYWNTAHSRC-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO C[C@]1(C(=O)OCCCn2cc[nH+]c2)CCOC1 ZINC000784695933 585865717 /nfs/dbraw/zinc/86/57/17/585865717.db2.gz RPECPYLWOIJVRG-LBPRGKRZSA-N 1 2 238.287 1.243 20 0 BDADLO CO[C@H](C(=O)OCCCn1cc[nH+]c1)C(C)C ZINC000784782491 585866168 /nfs/dbraw/zinc/86/61/68/585866168.db2.gz JGNQRQFFKVPROK-NSHDSACASA-N 1 2 240.303 1.487 20 0 BDADLO CSC1(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000784905588 585868401 /nfs/dbraw/zinc/86/84/01/585868401.db2.gz QOYKOMOIGXUJKN-UHFFFAOYSA-N 1 2 240.328 1.712 20 0 BDADLO Cc1noc(C2CC2)c1C(=O)N1CC[NH+](C)CC1 ZINC000784956907 585869190 /nfs/dbraw/zinc/86/91/90/585869190.db2.gz DTVMUSRAIJORSL-UHFFFAOYSA-N 1 2 249.314 1.248 20 0 BDADLO CC[C@@H](NC(=O)C(=O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785422004 585873438 /nfs/dbraw/zinc/87/34/38/585873438.db2.gz YJCLSXRLMVOWPW-MRVPVSSYSA-N 1 2 237.303 1.592 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000785420969 585873473 /nfs/dbraw/zinc/87/34/73/585873473.db2.gz IAIIMZMCGYWMNF-UWVGGRQHSA-N 1 2 235.287 1.670 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)C1CC1 ZINC000785738307 585879290 /nfs/dbraw/zinc/87/92/90/585879290.db2.gz ZHRCDRJKUORUIO-NXEZZACHSA-N 1 2 239.315 1.382 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCC[C@@H]1CCCO1 ZINC000786749514 585897149 /nfs/dbraw/zinc/89/71/49/585897149.db2.gz ZAMFYBYWODJKNC-JTQLQIEISA-N 1 2 244.335 1.869 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)no1 ZINC000786749488 585897194 /nfs/dbraw/zinc/89/71/94/585897194.db2.gz HMYPWPBUYYSMOF-JTQLQIEISA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)no1 ZINC000786749488 585897195 /nfs/dbraw/zinc/89/71/95/585897195.db2.gz HMYPWPBUYYSMOF-JTQLQIEISA-N 1 2 235.287 1.548 20 0 BDADLO COC(C)(C)CC(=O)OCCn1cc[nH+]c1 ZINC000787129248 585901871 /nfs/dbraw/zinc/90/18/71/585901871.db2.gz KKYLREMABYZHKB-UHFFFAOYSA-N 1 2 226.276 1.241 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cn1 ZINC000787167464 585902529 /nfs/dbraw/zinc/90/25/29/585902529.db2.gz FXJGTUXMFQBNIL-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)cn1 ZINC000787167464 585902530 /nfs/dbraw/zinc/90/25/30/585902530.db2.gz FXJGTUXMFQBNIL-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO O=C(C(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000787418532 585909298 /nfs/dbraw/zinc/90/92/98/585909298.db2.gz POYYYPSXILCXAJ-UHFFFAOYSA-N 1 2 229.230 1.381 20 0 BDADLO O=C(C(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000787418532 585909299 /nfs/dbraw/zinc/90/92/99/585909299.db2.gz POYYYPSXILCXAJ-UHFFFAOYSA-N 1 2 229.230 1.381 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000787965345 585917949 /nfs/dbraw/zinc/91/79/49/585917949.db2.gz YNQADJNXDGVTOL-UWVGGRQHSA-N 1 2 215.293 1.093 20 0 BDADLO CC(C)(C(=O)Nc1ccc(F)nc1)c1c[nH+]c[nH]1 ZINC000788309667 585921441 /nfs/dbraw/zinc/92/14/41/585921441.db2.gz VWFSAFHABNKRMT-UHFFFAOYSA-N 1 2 248.261 1.860 20 0 BDADLO CC(C)(C(=O)Nc1ccc(F)nc1)c1c[nH]c[nH+]1 ZINC000788309667 585921442 /nfs/dbraw/zinc/92/14/42/585921442.db2.gz VWFSAFHABNKRMT-UHFFFAOYSA-N 1 2 248.261 1.860 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(C)oc1C ZINC000789594723 585945188 /nfs/dbraw/zinc/94/51/88/585945188.db2.gz DCLAZVRZOWQVGY-UHFFFAOYSA-N 1 2 210.277 1.204 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(C)oc1C ZINC000789594723 585945189 /nfs/dbraw/zinc/94/51/89/585945189.db2.gz DCLAZVRZOWQVGY-UHFFFAOYSA-N 1 2 210.277 1.204 20 0 BDADLO NC(=[NH+]OCC[C@@H]1CCCCO1)[C@H]1CCCO1 ZINC000789612719 585946514 /nfs/dbraw/zinc/94/65/14/585946514.db2.gz VARCHXUFFKCTSX-WDEREUQCSA-N 1 2 242.319 1.623 20 0 BDADLO NC(=[NH+]OC[C@@H]1CCCOC1)[C@H]1CCCO1 ZINC000789614231 585946848 /nfs/dbraw/zinc/94/68/48/585946848.db2.gz YWJVITWRBNYTGB-NXEZZACHSA-N 1 2 228.292 1.090 20 0 BDADLO NC(=[NH+]OCCCCCCO)[C@H]1CCCO1 ZINC000789625969 585947169 /nfs/dbraw/zinc/94/71/69/585947169.db2.gz AIRMIWDFVYUEGC-SNVBAGLBSA-N 1 2 230.308 1.217 20 0 BDADLO Cc1cnc(CO[NH+]=C(N)[C@H]2CCCO2)s1 ZINC000789628696 585947235 /nfs/dbraw/zinc/94/72/35/585947235.db2.gz YKOVTUHEPRLZEC-MRVPVSSYSA-N 1 2 241.316 1.629 20 0 BDADLO Cc1noc([C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000789628496 585947360 /nfs/dbraw/zinc/94/73/60/585947360.db2.gz XVPWMHPLPJIISG-XPUUQOCRSA-N 1 2 240.263 1.116 20 0 BDADLO CC(C)OCCC(=O)OCCc1c[nH+]cn1C ZINC000789775965 585949631 /nfs/dbraw/zinc/94/96/31/585949631.db2.gz FNJJCUIYFSWHCU-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(F)cc1 ZINC000789777297 585949711 /nfs/dbraw/zinc/94/97/11/585949711.db2.gz SEZKJHYXXIYLKF-UHFFFAOYSA-N 1 2 248.257 1.959 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1CCCO1 ZINC000789772985 585949844 /nfs/dbraw/zinc/94/98/44/585949844.db2.gz QOODWFLJSKNPEX-NSHDSACASA-N 1 2 238.287 1.075 20 0 BDADLO CCOC(CN(C)Cc1[nH]cc[nH+]1)OCC ZINC000790079648 585957602 /nfs/dbraw/zinc/95/76/02/585957602.db2.gz LLIMPYRLGGGTMK-UHFFFAOYSA-N 1 2 227.308 1.241 20 0 BDADLO C/C=C(/C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790133673 585958475 /nfs/dbraw/zinc/95/84/75/585958475.db2.gz YDXLVVQRWYWNPI-DKRCXCIFSA-N 1 2 240.347 1.132 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCCC1CCOCC1 ZINC000790439469 585964776 /nfs/dbraw/zinc/96/47/76/585964776.db2.gz RCTXGYXIAIITIE-SNVBAGLBSA-N 1 2 244.335 1.727 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCc1csc(C)n1 ZINC000790502461 585965662 /nfs/dbraw/zinc/96/56/62/585965662.db2.gz AUZDKJGMNHWYGB-ZETCQYMHSA-N 1 2 243.332 1.527 20 0 BDADLO COc1cccc(C[NH2+]Cc2cccc(F)n2)n1 ZINC000790982731 585971460 /nfs/dbraw/zinc/97/14/60/585971460.db2.gz HVWWRXOYGCFDKC-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO COc1ccccc1OC(=O)Cc1[nH]c[nH+]c1C ZINC000791299626 585976436 /nfs/dbraw/zinc/97/64/36/585976436.db2.gz CRIHQBBOJJYNNU-UHFFFAOYSA-N 1 2 246.266 1.875 20 0 BDADLO Cc1noc(C)c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791521785 585983111 /nfs/dbraw/zinc/98/31/11/585983111.db2.gz SIJDEGGFDDKWSW-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO COc1ccc2nc(C[NH+]3[C@H](C)C[C@H]3C)[nH]c2n1 ZINC000791575098 585984384 /nfs/dbraw/zinc/98/43/84/585984384.db2.gz AMJKVWWQXRMOBB-RKDXNWHRSA-N 1 2 246.314 1.949 20 0 BDADLO CCn1cc(C(=O)OCc2cc[nH+]c(N)c2)cn1 ZINC000791906847 585991102 /nfs/dbraw/zinc/99/11/02/585991102.db2.gz JEWJZQLDHXZVEA-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO CCCCOCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791917409 585991480 /nfs/dbraw/zinc/99/14/80/585991480.db2.gz WOELVBQBDZAZSB-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO CC(C)[C@@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792142819 585996776 /nfs/dbraw/zinc/99/67/76/585996776.db2.gz XRSJVTRYQRNVSX-GFCCVEGCSA-N 1 2 238.287 1.114 20 0 BDADLO OCC[C@H]([NH2+]Cc1ncccn1)c1cccs1 ZINC000792282179 585998943 /nfs/dbraw/zinc/99/89/43/585998943.db2.gz CWXPUAJZQSBCHW-JTQLQIEISA-N 1 2 249.339 1.751 20 0 BDADLO Cc1ccnc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000792296952 585999393 /nfs/dbraw/zinc/99/93/93/585999393.db2.gz FDRWQRKWAOMFET-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000792296952 585999394 /nfs/dbraw/zinc/99/93/94/585999394.db2.gz FDRWQRKWAOMFET-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@]1(CC)CCOC1 ZINC000792426922 586000611 /nfs/dbraw/zinc/00/06/11/586000611.db2.gz OTPRRRWKARWKEU-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1ccc(COC(=O)c2cnn(C)n2)c(C)[nH+]1 ZINC000792532951 586002044 /nfs/dbraw/zinc/00/20/44/586002044.db2.gz CYGGPRFHYOIUDA-UHFFFAOYSA-N 1 2 246.270 1.184 20 0 BDADLO CSC[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793251892 586014107 /nfs/dbraw/zinc/01/41/07/586014107.db2.gz BPUVHTVCKJWRNY-VIFPVBQESA-N 1 2 242.344 1.505 20 0 BDADLO CO[C@H](C(=O)OCCc1c[nH+]cn1C)C(C)C ZINC000793252162 586015016 /nfs/dbraw/zinc/01/50/16/586015016.db2.gz WVQBBSWAHYEWJV-NSHDSACASA-N 1 2 240.303 1.177 20 0 BDADLO CO[C@H](C)CCC(=O)OCCc1c[nH+]cn1C ZINC000793252574 586015176 /nfs/dbraw/zinc/01/51/76/586015176.db2.gz OHIHTXWGIKKYPV-SNVBAGLBSA-N 1 2 240.303 1.321 20 0 BDADLO CCC/C=C\C(=O)OCCc1c[nH+]cn1C ZINC000793256103 586015253 /nfs/dbraw/zinc/01/52/53/586015253.db2.gz OCIUYXZIIFXMMB-WAYWQWQTSA-N 1 2 222.288 1.862 20 0 BDADLO CS[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793257378 586015270 /nfs/dbraw/zinc/01/52/70/586015270.db2.gz FRXHUOMORDOHCF-QMMMGPOBSA-N 1 2 228.317 1.257 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nccn2C)n(C)n1 ZINC000793522767 586021679 /nfs/dbraw/zinc/02/16/79/586021679.db2.gz BLKRLGUQXXYSAR-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC=CO1 ZINC000793559939 586023036 /nfs/dbraw/zinc/02/30/36/586023036.db2.gz HWBUQDKCIIRDBU-CABZTGNLSA-N 1 2 247.298 1.076 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC=CO1 ZINC000793559939 586023037 /nfs/dbraw/zinc/02/30/37/586023037.db2.gz HWBUQDKCIIRDBU-CABZTGNLSA-N 1 2 247.298 1.076 20 0 BDADLO Cc1cc(CO[NH+]=C(N)c2ccccc2)ncn1 ZINC000793824473 586027256 /nfs/dbraw/zinc/02/72/56/586027256.db2.gz SFLUXDNGUZJLMP-UHFFFAOYSA-N 1 2 242.282 1.832 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)[nH]1 ZINC000794448959 586039998 /nfs/dbraw/zinc/03/99/98/586039998.db2.gz JZSJTPQAJITXLW-SSDOTTSWSA-N 1 2 234.225 1.497 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)[nH]1 ZINC000794448959 586039999 /nfs/dbraw/zinc/03/99/99/586039999.db2.gz JZSJTPQAJITXLW-SSDOTTSWSA-N 1 2 234.225 1.497 20 0 BDADLO CCOCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000794672163 586046426 /nfs/dbraw/zinc/04/64/26/586046426.db2.gz YRVCTLMRJLNWLA-UHFFFAOYSA-N 1 2 248.282 1.722 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+](C)CCC(C)=O ZINC000795556411 586085510 /nfs/dbraw/zinc/08/55/10/586085510.db2.gz NORYDZFUCHOISF-NSHDSACASA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCC(C)=O ZINC000795556411 586085512 /nfs/dbraw/zinc/08/55/12/586085512.db2.gz NORYDZFUCHOISF-NSHDSACASA-N 1 2 229.320 1.485 20 0 BDADLO CCCCOCC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795652042 586090236 /nfs/dbraw/zinc/09/02/36/586090236.db2.gz LQPPDTGBIOMYNE-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795652042 586090237 /nfs/dbraw/zinc/09/02/37/586090237.db2.gz LQPPDTGBIOMYNE-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO c1cc([C@H]2CCCC[N@H+]2Cn2cnnc2)n[nH]1 ZINC000795672271 586090804 /nfs/dbraw/zinc/09/08/04/586090804.db2.gz YPNMIKDXVBPWLP-LLVKDONJSA-N 1 2 232.291 1.186 20 0 BDADLO c1cc([C@H]2CCCC[N@@H+]2Cn2cnnc2)n[nH]1 ZINC000795672271 586090805 /nfs/dbraw/zinc/09/08/05/586090805.db2.gz YPNMIKDXVBPWLP-LLVKDONJSA-N 1 2 232.291 1.186 20 0 BDADLO C[N@H+](CCc1cccnc1)[C@@H]1CC(C)(C)OC1=O ZINC000795685245 586091247 /nfs/dbraw/zinc/09/12/47/586091247.db2.gz CKQGXHPKBPVDKO-GFCCVEGCSA-N 1 2 248.326 1.650 20 0 BDADLO C[N@@H+](CCc1cccnc1)[C@@H]1CC(C)(C)OC1=O ZINC000795685245 586091248 /nfs/dbraw/zinc/09/12/48/586091248.db2.gz CKQGXHPKBPVDKO-GFCCVEGCSA-N 1 2 248.326 1.650 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000796204208 586098741 /nfs/dbraw/zinc/09/87/41/586098741.db2.gz RROMLHVDHKWFLD-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000796204208 586098742 /nfs/dbraw/zinc/09/87/42/586098742.db2.gz RROMLHVDHKWFLD-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1ccccc1 ZINC000796498223 586105000 /nfs/dbraw/zinc/10/50/00/586105000.db2.gz KCUZRNVBTJIARG-PWSUYJOCSA-N 1 2 237.299 1.213 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000796498223 586105001 /nfs/dbraw/zinc/10/50/01/586105001.db2.gz KCUZRNVBTJIARG-PWSUYJOCSA-N 1 2 237.299 1.213 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)C1(CO)CC1 ZINC000796502524 586105594 /nfs/dbraw/zinc/10/55/94/586105594.db2.gz UJJQMUPPYSREAH-JTQLQIEISA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)C1(CO)CC1 ZINC000796502524 586105595 /nfs/dbraw/zinc/10/55/95/586105595.db2.gz UJJQMUPPYSREAH-JTQLQIEISA-N 1 2 229.320 1.175 20 0 BDADLO C[C@H]1C[N@H+](CCF)C[C@]2(CCCOC2)O1 ZINC000796606785 586108403 /nfs/dbraw/zinc/10/84/03/586108403.db2.gz JOIGMEHKGAEEHW-QWRGUYRKSA-N 1 2 217.284 1.226 20 0 BDADLO C[C@H]1C[N@@H+](CCF)C[C@]2(CCCOC2)O1 ZINC000796606785 586108404 /nfs/dbraw/zinc/10/84/04/586108404.db2.gz JOIGMEHKGAEEHW-QWRGUYRKSA-N 1 2 217.284 1.226 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)C2CC2)n1 ZINC000796695281 586110200 /nfs/dbraw/zinc/11/02/00/586110200.db2.gz OKLMFTDNDSZFKJ-NSHDSACASA-N 1 2 249.314 1.884 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)C2CC2)n1 ZINC000796695281 586110201 /nfs/dbraw/zinc/11/02/01/586110201.db2.gz OKLMFTDNDSZFKJ-NSHDSACASA-N 1 2 249.314 1.884 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ncc[nH]1 ZINC000796815229 586113532 /nfs/dbraw/zinc/11/35/32/586113532.db2.gz WTOFPLSWSUFKEM-SECBINFHSA-N 1 2 236.319 1.119 20 0 BDADLO CCC(=O)OCc1c[nH+]cn1CC(F)(F)F ZINC000797118319 586120480 /nfs/dbraw/zinc/12/04/80/586120480.db2.gz JMPWKAAOOZKZSQ-UHFFFAOYSA-N 1 2 236.193 1.899 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cn2ccsc2=O)C1 ZINC000797416869 586126693 /nfs/dbraw/zinc/12/66/93/586126693.db2.gz LEVJIQLDSMFJEX-SECBINFHSA-N 1 2 224.329 1.765 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cn2ccsc2=O)C1 ZINC000797416869 586126694 /nfs/dbraw/zinc/12/66/94/586126694.db2.gz LEVJIQLDSMFJEX-SECBINFHSA-N 1 2 224.329 1.765 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000798093789 586136903 /nfs/dbraw/zinc/13/69/03/586136903.db2.gz WIVKVDJMSWCCAY-NXEZZACHSA-N 1 2 229.283 1.863 20 0 BDADLO Cc1ccc(C(N)=O)cc1NCc1cn(C)c[nH+]1 ZINC000798228613 586141289 /nfs/dbraw/zinc/14/12/89/586141289.db2.gz PTEMMHWMRDSMTI-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CC(=O)CCCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798836311 586151106 /nfs/dbraw/zinc/15/11/06/586151106.db2.gz AXURROAYEGRZRD-LLVKDONJSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@H](C)C1(F)F ZINC000859411655 589034680 /nfs/dbraw/zinc/03/46/80/589034680.db2.gz MCIJUNSGLYCMPF-YIZRAAEISA-N 1 2 233.258 1.525 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@H](C)C1(F)F ZINC000859411655 589034682 /nfs/dbraw/zinc/03/46/82/589034682.db2.gz MCIJUNSGLYCMPF-YIZRAAEISA-N 1 2 233.258 1.525 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000800307330 586210711 /nfs/dbraw/zinc/21/07/11/586210711.db2.gz WCNDMBBJMJVMQM-AXFHLTTASA-N 1 2 238.287 1.240 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@@H]1C(F)F ZINC000801481763 586259533 /nfs/dbraw/zinc/25/95/33/586259533.db2.gz LUMCWNKPVKKZCW-YUMQZZPRSA-N 1 2 230.214 1.328 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801559411 586261828 /nfs/dbraw/zinc/26/18/28/586261828.db2.gz IIXWUOTXNNUPBR-UTLUCORTSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801559411 586261831 /nfs/dbraw/zinc/26/18/31/586261831.db2.gz IIXWUOTXNNUPBR-UTLUCORTSA-N 1 2 235.274 1.520 20 0 BDADLO CCN1CC[N@H+](CCSC(C)(C)C)CC1=O ZINC000801941617 586280609 /nfs/dbraw/zinc/28/06/09/586280609.db2.gz RRGHUVVPHBZGKX-UHFFFAOYSA-N 1 2 244.404 1.682 20 0 BDADLO CCN1CC[N@@H+](CCSC(C)(C)C)CC1=O ZINC000801941617 586280610 /nfs/dbraw/zinc/28/06/10/586280610.db2.gz RRGHUVVPHBZGKX-UHFFFAOYSA-N 1 2 244.404 1.682 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1nccs1 ZINC000802235390 586297299 /nfs/dbraw/zinc/29/72/99/586297299.db2.gz ZGYUVHZKZOBFSF-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1nccs1 ZINC000802235390 586297301 /nfs/dbraw/zinc/29/73/01/586297301.db2.gz ZGYUVHZKZOBFSF-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCCCO1 ZINC000802242635 586299132 /nfs/dbraw/zinc/29/91/32/586299132.db2.gz NKILSDUFVBTYNY-MNOVXSKESA-N 1 2 245.294 1.143 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCCCO1 ZINC000802242635 586299134 /nfs/dbraw/zinc/29/91/34/586299134.db2.gz NKILSDUFVBTYNY-MNOVXSKESA-N 1 2 245.294 1.143 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCSC1 ZINC000802239073 586299153 /nfs/dbraw/zinc/29/91/53/586299153.db2.gz RVWKLRWPFLEZAC-VHSXEESVSA-N 1 2 247.335 1.327 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCSC1 ZINC000802239073 586299156 /nfs/dbraw/zinc/29/91/56/586299156.db2.gz RVWKLRWPFLEZAC-VHSXEESVSA-N 1 2 247.335 1.327 20 0 BDADLO CCCCOCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802240143 586299162 /nfs/dbraw/zinc/29/91/62/586299162.db2.gz UVBIQYKRRNPQRI-LLVKDONJSA-N 1 2 247.310 1.390 20 0 BDADLO CCCCOCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240143 586299165 /nfs/dbraw/zinc/29/91/65/586299165.db2.gz UVBIQYKRRNPQRI-LLVKDONJSA-N 1 2 247.310 1.390 20 0 BDADLO CC1(C)CCN(C[NH+]2CCSCC2)C1=O ZINC000839966436 586305726 /nfs/dbraw/zinc/30/57/26/586305726.db2.gz VXRWQOIAWRDAMT-UHFFFAOYSA-N 1 2 228.361 1.251 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000802652299 586307841 /nfs/dbraw/zinc/30/78/41/586307841.db2.gz CLQHAAQCQJFWNX-SNVBAGLBSA-N 1 2 230.258 1.491 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000802652299 586307844 /nfs/dbraw/zinc/30/78/44/586307844.db2.gz CLQHAAQCQJFWNX-SNVBAGLBSA-N 1 2 230.258 1.491 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)CC1CC1 ZINC000802783309 586313957 /nfs/dbraw/zinc/31/39/57/586313957.db2.gz MZOFKIFQQXVBGK-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO CC(=O)CCC(=O)OCCCc1[nH+]ccn1C ZINC000802788761 586314227 /nfs/dbraw/zinc/31/42/27/586314227.db2.gz QFZIQUHVPYZRFI-UHFFFAOYSA-N 1 2 238.287 1.265 20 0 BDADLO Nc1ccc(CCC(=O)OCCCCF)c[nH+]1 ZINC000803406351 586352447 /nfs/dbraw/zinc/35/24/47/586352447.db2.gz SEPBYELLEXVPHS-UHFFFAOYSA-N 1 2 240.278 1.889 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840000442 586352489 /nfs/dbraw/zinc/35/24/89/586352489.db2.gz PXYZLZMZXHPPRT-TUAOUCFPSA-N 1 2 238.331 1.066 20 0 BDADLO CC[C@H]1COCC[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840000442 586352490 /nfs/dbraw/zinc/35/24/90/586352490.db2.gz PXYZLZMZXHPPRT-TUAOUCFPSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CN1CCC(C)(C)C1=O ZINC000840030574 586385559 /nfs/dbraw/zinc/38/55/59/586385559.db2.gz YLXAJQYQSVZBKL-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CN1CCC(C)(C)C1=O ZINC000840030574 586385563 /nfs/dbraw/zinc/38/55/63/586385563.db2.gz YLXAJQYQSVZBKL-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCC(C)(C)C2=O)C[C@@H]1F ZINC000840043922 586392694 /nfs/dbraw/zinc/39/26/94/586392694.db2.gz WKSLXSFQNQMOCX-MNOVXSKESA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCC(C)(C)C2=O)C[C@@H]1F ZINC000840043922 586392697 /nfs/dbraw/zinc/39/26/97/586392697.db2.gz WKSLXSFQNQMOCX-MNOVXSKESA-N 1 2 242.338 1.882 20 0 BDADLO CCS(=O)(=O)CC[NH+](C1CC1)C1CC1 ZINC000859622849 589049862 /nfs/dbraw/zinc/04/98/62/589049862.db2.gz GFOPNTKNGMMQEJ-UHFFFAOYSA-N 1 2 217.334 1.048 20 0 BDADLO CSCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000806888574 586420118 /nfs/dbraw/zinc/42/01/18/586420118.db2.gz PWRSXNCFJAZMCH-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO CON(C(=O)CCc1[nH]cc[nH+]1)C1CCCC1 ZINC000807247170 586429170 /nfs/dbraw/zinc/42/91/70/586429170.db2.gz SRDTXLHIZVTJPB-UHFFFAOYSA-N 1 2 237.303 1.675 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)Oc2cccnc2)n1 ZINC000843144926 586436690 /nfs/dbraw/zinc/43/66/90/586436690.db2.gz OHQUXWTZSIQWIK-VIFPVBQESA-N 1 2 248.286 1.714 20 0 BDADLO CC[NH2+]Cc1noc(C(C)(C)CCOC)n1 ZINC000843145248 586444907 /nfs/dbraw/zinc/44/49/07/586444907.db2.gz ZFYRZRWBDSQBLJ-UHFFFAOYSA-N 1 2 227.308 1.493 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840101594 586446172 /nfs/dbraw/zinc/44/61/72/586446172.db2.gz USRUAYXHUIXWNK-ZYHUDNBSSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840101594 586446173 /nfs/dbraw/zinc/44/61/73/586446173.db2.gz USRUAYXHUIXWNK-ZYHUDNBSSA-N 1 2 228.311 1.636 20 0 BDADLO F[C@H]1CC[N@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000840103812 586447130 /nfs/dbraw/zinc/44/71/30/586447130.db2.gz OVIVAVXICPOIQE-JTQLQIEISA-N 1 2 247.277 1.341 20 0 BDADLO F[C@H]1CC[N@@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000840103812 586447132 /nfs/dbraw/zinc/44/71/32/586447132.db2.gz OVIVAVXICPOIQE-JTQLQIEISA-N 1 2 247.277 1.341 20 0 BDADLO Cn1nncc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000808115680 586464142 /nfs/dbraw/zinc/46/41/42/586464142.db2.gz NZGVCVDEMFURCZ-UHFFFAOYSA-N 1 2 246.318 1.515 20 0 BDADLO CON(C)C(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000808742217 586486676 /nfs/dbraw/zinc/48/66/76/586486676.db2.gz MCTVFJQQYSYIBP-QMMMGPOBSA-N 1 2 236.262 1.126 20 0 BDADLO CON(C)C(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000808742217 586486677 /nfs/dbraw/zinc/48/66/77/586486677.db2.gz MCTVFJQQYSYIBP-QMMMGPOBSA-N 1 2 236.262 1.126 20 0 BDADLO Cc1nonc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000809744283 586516447 /nfs/dbraw/zinc/51/64/47/586516447.db2.gz DMHYJHBOKIHNIA-NSHDSACASA-N 1 2 244.298 1.940 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cnn(C)n1 ZINC000809949259 586525455 /nfs/dbraw/zinc/52/54/55/586525455.db2.gz GTMPXXQCISHESM-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cnn(C)n1 ZINC000809949259 586525456 /nfs/dbraw/zinc/52/54/56/586525456.db2.gz GTMPXXQCISHESM-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO Cn1ncc(C[NH+]2CCC(C(F)F)CC2)n1 ZINC000809955291 586526352 /nfs/dbraw/zinc/52/63/52/586526352.db2.gz UJIUZSHJBOEZAD-UHFFFAOYSA-N 1 2 230.262 1.292 20 0 BDADLO Cc1ccc(O)cc1C(=O)OCCn1cc[nH+]c1 ZINC000811310400 586558140 /nfs/dbraw/zinc/55/81/40/586558140.db2.gz URDWAQLIZCDFMQ-UHFFFAOYSA-N 1 2 246.266 1.754 20 0 BDADLO COC(=O)c1cccc(NCc2c[nH+]cn2C)n1 ZINC000811846300 586567978 /nfs/dbraw/zinc/56/79/78/586567978.db2.gz PVHDESYOWFINJZ-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO CC[N@H+](Cn1cccnc1=S)[C@@H]1CCOC1 ZINC000812297161 586572667 /nfs/dbraw/zinc/57/26/67/586572667.db2.gz UXWXPQAIOSLQDZ-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO CC[N@@H+](Cn1cccnc1=S)[C@@H]1CCOC1 ZINC000812297161 586572668 /nfs/dbraw/zinc/57/26/68/586572668.db2.gz UXWXPQAIOSLQDZ-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)n1C)[C@H]1CCOC1 ZINC000812780392 586584240 /nfs/dbraw/zinc/58/42/40/586584240.db2.gz CPGJFJGESFHABJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)n1C)[C@H]1CCOC1 ZINC000812780392 586584241 /nfs/dbraw/zinc/58/42/41/586584241.db2.gz CPGJFJGESFHABJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CCCCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842658429 586588957 /nfs/dbraw/zinc/58/89/57/586588957.db2.gz YBXIZFQBPKWAFF-NSHDSACASA-N 1 2 244.335 1.871 20 0 BDADLO Cc1noc(C)c1CNc1cc(N(C)C)nc[nH+]1 ZINC000813354875 586600993 /nfs/dbraw/zinc/60/09/93/586600993.db2.gz LDCLLSGATZPKAR-UHFFFAOYSA-N 1 2 247.302 1.760 20 0 BDADLO Cc1noc(C)c1CNc1cc(N(C)C)[nH+]cn1 ZINC000813354875 586600994 /nfs/dbraw/zinc/60/09/94/586600994.db2.gz LDCLLSGATZPKAR-UHFFFAOYSA-N 1 2 247.302 1.760 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc(F)c[nH]1 ZINC000815390275 586682177 /nfs/dbraw/zinc/68/21/77/586682177.db2.gz BHVILTHHYSJWCS-UHFFFAOYSA-N 1 2 223.207 1.207 20 0 BDADLO CC(=O)O[C@H](c1c[nH+]cn1C)c1ccc(C)nc1 ZINC000816316320 586717509 /nfs/dbraw/zinc/71/75/09/586717509.db2.gz QJOOYKODGARUKK-ZDUSSCGKSA-N 1 2 245.282 1.776 20 0 BDADLO Cn1ncc(C[N@H+](C)C[C@H]2CCCO2)c1Cl ZINC000816484668 586735586 /nfs/dbraw/zinc/73/55/86/586735586.db2.gz KYGGOPVTUVNRRU-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(C[N@@H+](C)C[C@H]2CCCO2)c1Cl ZINC000816484668 586735589 /nfs/dbraw/zinc/73/55/89/586735589.db2.gz KYGGOPVTUVNRRU-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000816499744 586736968 /nfs/dbraw/zinc/73/69/68/586736968.db2.gz ZBTWFEIRIRQGOZ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000816499744 586736970 /nfs/dbraw/zinc/73/69/70/586736970.db2.gz ZBTWFEIRIRQGOZ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cnn(C)c2Cl)C1 ZINC000816514477 586737545 /nfs/dbraw/zinc/73/75/45/586737545.db2.gz ZGWPJWGQASHMEF-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cnn(C)c2Cl)C1 ZINC000816514477 586737546 /nfs/dbraw/zinc/73/75/46/586737546.db2.gz ZGWPJWGQASHMEF-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816719260 586760110 /nfs/dbraw/zinc/76/01/10/586760110.db2.gz UWTVVKKBJATSFJ-HMXLAXJASA-N 1 2 207.277 1.943 20 0 BDADLO CC=C(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816719260 586760113 /nfs/dbraw/zinc/76/01/13/586760113.db2.gz UWTVVKKBJATSFJ-HMXLAXJASA-N 1 2 207.277 1.943 20 0 BDADLO CCOc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816810276 586765492 /nfs/dbraw/zinc/76/54/92/586765492.db2.gz GGIJJYNRMAOYRA-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCCCCC1 ZINC000816813900 586765721 /nfs/dbraw/zinc/76/57/21/586765721.db2.gz BGCVNYVLLAVJBZ-UHFFFAOYSA-N 1 2 221.304 1.745 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1cccc(F)c1 ZINC000816824287 586766303 /nfs/dbraw/zinc/76/63/03/586766303.db2.gz UTRGTHBDMSWCCM-UHFFFAOYSA-N 1 2 247.273 1.450 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)c(C)c1 ZINC000816857221 586768441 /nfs/dbraw/zinc/76/84/41/586768441.db2.gz ZYDZEAGMWOCXMS-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000816887588 586769492 /nfs/dbraw/zinc/76/94/92/586769492.db2.gz HDUNUBSMPDAANY-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO CN(C)c1ccc(NC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000816910173 586770722 /nfs/dbraw/zinc/77/07/22/586770722.db2.gz WERXFDNAGZJJES-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO CN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816910904 586770734 /nfs/dbraw/zinc/77/07/34/586770734.db2.gz WFRDQHSEWQXWPN-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817197586 586785182 /nfs/dbraw/zinc/78/51/82/586785182.db2.gz CLSDUGFTUFNUEF-IJLUTSLNSA-N 1 2 248.326 1.942 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC12CC2 ZINC000817233227 586788389 /nfs/dbraw/zinc/78/83/89/586788389.db2.gz PTJXFZWTCPPMJR-MNOVXSKESA-N 1 2 239.315 1.050 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@]1(C)CC1(F)F ZINC000817250995 586790734 /nfs/dbraw/zinc/79/07/34/586790734.db2.gz OBBXRHQESQKBHW-SNVBAGLBSA-N 1 2 244.241 1.551 20 0 BDADLO COC(=O)[C@@H](F)CNc1cc[nH+]c(C2CC2)n1 ZINC000840338291 586794258 /nfs/dbraw/zinc/79/42/58/586794258.db2.gz ATFMZCDXDHSCFT-QMMMGPOBSA-N 1 2 239.250 1.277 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(F)ncc1F ZINC000817414976 586802625 /nfs/dbraw/zinc/80/26/25/586802625.db2.gz PUQXXQPKOFFCRK-SCZZXKLOSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(F)ncc1F ZINC000817414976 586802626 /nfs/dbraw/zinc/80/26/26/586802626.db2.gz PUQXXQPKOFFCRK-SCZZXKLOSA-N 1 2 242.269 1.705 20 0 BDADLO CCC(CC)c1noc([C@@H]([NH3+])CC(=O)OC)n1 ZINC000817865456 586830680 /nfs/dbraw/zinc/83/06/80/586830680.db2.gz YWOIOFKCDHBBTB-QMMMGPOBSA-N 1 2 241.291 1.536 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cnccc2C)n1 ZINC000818222779 586880059 /nfs/dbraw/zinc/88/00/59/586880059.db2.gz JMPAIGBNGOWGTF-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO CCCCCC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000818956017 586917391 /nfs/dbraw/zinc/91/73/91/586917391.db2.gz IMDBLGASFNLVPD-LBPRGKRZSA-N 1 2 225.336 1.831 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCNC(=O)CC2)cc[nH+]1 ZINC000840373286 586930799 /nfs/dbraw/zinc/93/07/99/586930799.db2.gz BLHHUVPSEXMCBL-JTQLQIEISA-N 1 2 248.330 1.681 20 0 BDADLO COc1cc[nH+]cc1NC(=O)/C=C/[C@@H]1CCCO1 ZINC000819203359 586938114 /nfs/dbraw/zinc/93/81/14/586938114.db2.gz XKLPIKHHLVZEJA-YEZKRMTDSA-N 1 2 248.282 1.764 20 0 BDADLO COC[C@H](O)CNc1ccc([NH+](C)C)c(C)c1 ZINC000819407770 586962072 /nfs/dbraw/zinc/96/20/72/586962072.db2.gz BDZBSYJYJXGJKG-GFCCVEGCSA-N 1 2 238.331 1.480 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCCO2)c(C)c[nH+]1 ZINC000819414099 586962408 /nfs/dbraw/zinc/96/24/08/586962408.db2.gz WSDQRYDXPJVXHL-FYJFLYSWSA-N 1 2 246.310 1.794 20 0 BDADLO NC(=O)CC[NH2+]c1ccc(OCC(F)F)cc1 ZINC000819455108 586965644 /nfs/dbraw/zinc/96/56/44/586965644.db2.gz IWTYERWCXGXXQI-UHFFFAOYSA-N 1 2 244.241 1.618 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1nnnn1C ZINC000860057837 589077917 /nfs/dbraw/zinc/07/79/17/589077917.db2.gz BSQDJZVDSZPDKK-NKWVEPMBSA-N 1 2 238.320 1.078 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C(F)=C1CCC1 ZINC000819526462 586973874 /nfs/dbraw/zinc/97/38/74/586973874.db2.gz DDPSCGMOQLDTJB-JTQLQIEISA-N 1 2 249.289 1.722 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)C[C@H]2C=CCC2)S1 ZINC000819766666 586991797 /nfs/dbraw/zinc/99/17/97/586991797.db2.gz HSWVQLGMGGLLAR-BDAKNGLRSA-N 1 2 224.329 1.950 20 0 BDADLO COCCC[C@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819778140 586992916 /nfs/dbraw/zinc/99/29/16/586992916.db2.gz YCXQGTSHQWIRAC-DTWKUNHWSA-N 1 2 244.360 1.657 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)C=CCC1)c1[nH]cc[nH+]1 ZINC000820192288 587033509 /nfs/dbraw/zinc/03/35/09/587033509.db2.gz ZSKZVXXMQFPWMA-BXKDBHETSA-N 1 2 219.288 1.943 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)C=CCC1)c1[nH]cc[nH+]1 ZINC000820192290 587033616 /nfs/dbraw/zinc/03/36/16/587033616.db2.gz ZSKZVXXMQFPWMA-SKDRFNHKSA-N 1 2 219.288 1.943 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820238078 587037605 /nfs/dbraw/zinc/03/76/05/587037605.db2.gz JSRLXRNEAWYPBD-VWYCJHECSA-N 1 2 237.303 1.239 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820238078 587037607 /nfs/dbraw/zinc/03/76/07/587037607.db2.gz JSRLXRNEAWYPBD-VWYCJHECSA-N 1 2 237.303 1.239 20 0 BDADLO Cc1nc(Cl)cc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000820581537 587056457 /nfs/dbraw/zinc/05/64/57/587056457.db2.gz VHAQZQFVTCENEJ-UHFFFAOYSA-N 1 2 249.705 1.724 20 0 BDADLO CC(C)C1(NC(=O)/C=C/c2cn(C)c[nH+]2)CC1 ZINC000820637823 587060488 /nfs/dbraw/zinc/06/04/88/587060488.db2.gz NJTJPECLQPWOQI-SNAWJCMRSA-N 1 2 233.315 1.738 20 0 BDADLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)CO ZINC000820695011 587066935 /nfs/dbraw/zinc/06/69/35/587066935.db2.gz CMVWDGJBLMSLLL-VIFPVBQESA-N 1 2 247.298 1.406 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C(F)=C1CCC1 ZINC000820889418 587080073 /nfs/dbraw/zinc/08/00/73/587080073.db2.gz JJBMJWSDQOBMQU-SNVBAGLBSA-N 1 2 245.269 1.981 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C(F)=C1CCC1 ZINC000820889418 587080074 /nfs/dbraw/zinc/08/00/74/587080074.db2.gz JJBMJWSDQOBMQU-SNVBAGLBSA-N 1 2 245.269 1.981 20 0 BDADLO CC(C)N(C(=O)/C=C\c1cn(C)c[nH+]1)C1COC1 ZINC000820894734 587080118 /nfs/dbraw/zinc/08/01/18/587080118.db2.gz AUIDLNSPEPGRCW-PLNGDYQASA-N 1 2 249.314 1.069 20 0 BDADLO CC(C)C1(C(=O)N[C@H]2CCn3cc[nH+]c32)COC1 ZINC000820948514 587084038 /nfs/dbraw/zinc/08/40/38/587084038.db2.gz ZDTKRZYNYGSWQV-JTQLQIEISA-N 1 2 249.314 1.117 20 0 BDADLO CCC1(CC(=O)N[C@@H]2CCn3cc[nH+]c32)COC1 ZINC000820948224 587084192 /nfs/dbraw/zinc/08/41/92/587084192.db2.gz PRHSYRXDHDHIDN-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1OC[C@@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]12 ZINC000860165731 589084563 /nfs/dbraw/zinc/08/45/63/589084563.db2.gz TTZNLTMZJQPYCF-UWVGGRQHSA-N 1 2 248.282 1.157 20 0 BDADLO O=C1OC[C@@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]12 ZINC000860165731 589084564 /nfs/dbraw/zinc/08/45/64/589084564.db2.gz TTZNLTMZJQPYCF-UWVGGRQHSA-N 1 2 248.282 1.157 20 0 BDADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820965899 587085229 /nfs/dbraw/zinc/08/52/29/587085229.db2.gz LADDQDODQDFNBY-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](N(C)C(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000820982658 587085869 /nfs/dbraw/zinc/08/58/69/587085869.db2.gz CSANVIGIDSJYDH-VIFPVBQESA-N 1 2 223.320 1.845 20 0 BDADLO CCc1c[nH]c(CC(=O)N(OC)[C@@H](C)CC)[nH+]1 ZINC000821036884 587089985 /nfs/dbraw/zinc/08/99/85/587089985.db2.gz OQDXVCFXVMMNKL-VIFPVBQESA-N 1 2 239.319 1.703 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@H](F)C2)c1 ZINC000821036830 587090194 /nfs/dbraw/zinc/09/01/94/587090194.db2.gz HKQRILWTCDBJJH-HPOULIHZSA-N 1 2 223.251 1.004 20 0 BDADLO O=C(NOC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000821220862 587102592 /nfs/dbraw/zinc/10/25/92/587102592.db2.gz HAVXGQPZZQACJB-UHFFFAOYSA-N 1 2 231.255 1.777 20 0 BDADLO C[C@H]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000821295885 587105490 /nfs/dbraw/zinc/10/54/90/587105490.db2.gz ZMMWKMHOUJYALC-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO CCC[C@H](O)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000821309335 587106410 /nfs/dbraw/zinc/10/64/10/587106410.db2.gz RLZHCHPMKWXLQC-ZJUUUORDSA-N 1 2 239.319 1.241 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C=CCC1 ZINC000821384657 587114952 /nfs/dbraw/zinc/11/49/52/587114952.db2.gz AFGIWPSCCWHZGK-MFKMUULPSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCCO3)cc2[nH+]1 ZINC000821823175 587140299 /nfs/dbraw/zinc/14/02/99/587140299.db2.gz HBBSHEPDNKPCHR-UHFFFAOYSA-N 1 2 231.255 1.420 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822437000 587167650 /nfs/dbraw/zinc/16/76/50/587167650.db2.gz SXAGHNDUOVOERK-LJXRPBPOSA-N 1 2 247.342 1.984 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000822523995 587173403 /nfs/dbraw/zinc/17/34/03/587173403.db2.gz STGFCOUQLIPUGM-ZKQHCESOSA-N 1 2 240.347 1.180 20 0 BDADLO O=C(NOC/C=C/Cl)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823047059 587199803 /nfs/dbraw/zinc/19/98/03/587199803.db2.gz RMSSSVDSHRRUGH-XLNBVVSQSA-N 1 2 241.678 1.314 20 0 BDADLO O=C(NOC/C=C/Cl)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823047059 587199804 /nfs/dbraw/zinc/19/98/04/587199804.db2.gz RMSSSVDSHRRUGH-XLNBVVSQSA-N 1 2 241.678 1.314 20 0 BDADLO CCON(C(=O)/C=C\c1cn(C)c[nH+]1)C(C)C ZINC000823602802 587232358 /nfs/dbraw/zinc/23/23/58/587232358.db2.gz IEZPNKHUIAGXGF-SREVYHEPSA-N 1 2 237.303 1.622 20 0 BDADLO CC(C(=O)NC1=[NH+]CCS1)=C1CCC1 ZINC000823954782 587247006 /nfs/dbraw/zinc/24/70/06/587247006.db2.gz AIHLQWMPEPTGTO-UHFFFAOYSA-N 1 2 210.302 1.706 20 0 BDADLO C[C@H](CCO)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824096907 587255128 /nfs/dbraw/zinc/25/51/28/587255128.db2.gz UDEDUKLDHGTYFU-SECBINFHSA-N 1 2 247.298 1.406 20 0 BDADLO CCC[C@H](CC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000824368815 587267694 /nfs/dbraw/zinc/26/76/94/587267694.db2.gz UZWUCFBXUWSYSP-VIFPVBQESA-N 1 2 209.293 1.647 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000824370912 587268152 /nfs/dbraw/zinc/26/81/52/587268152.db2.gz SXQGWCBHFRWEQV-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000824370912 587268154 /nfs/dbraw/zinc/26/81/54/587268154.db2.gz SXQGWCBHFRWEQV-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CC[N@H+](Cc1cc(F)ncc1F)[C@@H]1CCOC1 ZINC000824422585 587269865 /nfs/dbraw/zinc/26/98/65/587269865.db2.gz CINRMWDZZQSCLY-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CC[N@@H+](Cc1cc(F)ncc1F)[C@@H]1CCOC1 ZINC000824422585 587269866 /nfs/dbraw/zinc/26/98/66/587269866.db2.gz CINRMWDZZQSCLY-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)[C@@H]2CCOC2)n1 ZINC000824422851 587270209 /nfs/dbraw/zinc/27/02/09/587270209.db2.gz GHUSIIKYWBPSOB-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)[C@@H]2CCOC2)n1 ZINC000824422851 587270211 /nfs/dbraw/zinc/27/02/11/587270211.db2.gz GHUSIIKYWBPSOB-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO O=C(NC[C@@H]1CCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC000824785784 587287381 /nfs/dbraw/zinc/28/73/81/587287381.db2.gz DRHZDYBWXDPVKP-JTQLQIEISA-N 1 2 245.282 1.472 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)CC(=O)N1 ZINC000824909875 587293193 /nfs/dbraw/zinc/29/31/93/587293193.db2.gz QKQRBMBCMNPSRH-SNVBAGLBSA-N 1 2 246.310 1.037 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC(=O)N1 ZINC000824909875 587293196 /nfs/dbraw/zinc/29/31/96/587293196.db2.gz QKQRBMBCMNPSRH-SNVBAGLBSA-N 1 2 246.310 1.037 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)co1 ZINC000825056293 587300389 /nfs/dbraw/zinc/30/03/89/587300389.db2.gz GRHQXLXIKPTTBZ-ZWNOBZJWSA-N 1 2 249.358 1.809 20 0 BDADLO CC(C)[C@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000825673091 587330849 /nfs/dbraw/zinc/33/08/49/587330849.db2.gz OZHGMOCZICQZQH-AFNCTOJWSA-N 1 2 247.342 1.984 20 0 BDADLO C/C(=C\C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742061 587335298 /nfs/dbraw/zinc/33/52/98/587335298.db2.gz VRVXCJOOFKDBKK-INJWIWPUSA-N 1 2 249.314 1.620 20 0 BDADLO C/C(=C\C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742061 587335299 /nfs/dbraw/zinc/33/52/99/587335299.db2.gz VRVXCJOOFKDBKK-INJWIWPUSA-N 1 2 249.314 1.620 20 0 BDADLO C/C(=C/C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)[O-] ZINC000825736476 587335806 /nfs/dbraw/zinc/33/58/06/587335806.db2.gz ZWYGJSYGPTUSQL-FUQNDXKWSA-N 1 2 249.314 1.551 20 0 BDADLO CC(C)C(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000825834602 587340575 /nfs/dbraw/zinc/34/05/75/587340575.db2.gz OTVPLTNPRIPAHD-UHFFFAOYSA-N 1 2 209.293 1.503 20 0 BDADLO CC/C(C)=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000825935769 587346381 /nfs/dbraw/zinc/34/63/81/587346381.db2.gz FXUJGROGNXBWRD-POHAHGRESA-N 1 2 219.288 1.623 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCc1[nH+]ccn1C ZINC000826012298 587348364 /nfs/dbraw/zinc/34/83/64/587348364.db2.gz LGSBWXRWJMFLIC-LBPRGKRZSA-N 1 2 241.310 1.955 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000826113590 587350893 /nfs/dbraw/zinc/35/08/93/587350893.db2.gz NRRNCWYMNXHDOT-UHFFFAOYSA-N 1 2 249.358 1.500 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccnn2CC2CC2)C1 ZINC000826112756 587350924 /nfs/dbraw/zinc/35/09/24/587350924.db2.gz BXRDPDKFTZHDTE-UHFFFAOYSA-N 1 2 249.358 1.496 20 0 BDADLO Fc1c(Cn2cc[nH+]c2)cccc1-c1nn[nH]n1 ZINC000826371550 587352609 /nfs/dbraw/zinc/35/26/09/587352609.db2.gz KTWCBAWYFQQILD-UHFFFAOYSA-N 1 2 244.233 1.251 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000826572705 587355431 /nfs/dbraw/zinc/35/54/31/587355431.db2.gz RUBYQGMTPUNWOH-IUCAKERBSA-N 1 2 207.277 1.257 20 0 BDADLO OC/C=C/C[NH2+]Cc1c(F)ccc(O)c1F ZINC000826941867 587366272 /nfs/dbraw/zinc/36/62/72/587366272.db2.gz LOKKGYQJUDDINB-OWOJBTEDSA-N 1 2 229.226 1.309 20 0 BDADLO CONC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000826941150 587366320 /nfs/dbraw/zinc/36/63/20/587366320.db2.gz LYISCNOYGPPASN-UHFFFAOYSA-N 1 2 248.286 1.046 20 0 BDADLO COCC[N@H+](CCF)Cc1cnn2c1CCC2 ZINC000827047972 587368909 /nfs/dbraw/zinc/36/89/09/587368909.db2.gz KQNVDKDYXOZYGB-UHFFFAOYSA-N 1 2 241.310 1.247 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnn2c1CCC2 ZINC000827047972 587368910 /nfs/dbraw/zinc/36/89/10/587368910.db2.gz KQNVDKDYXOZYGB-UHFFFAOYSA-N 1 2 241.310 1.247 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H]1CCOC1)CCN2 ZINC000827558691 587388009 /nfs/dbraw/zinc/38/80/09/587388009.db2.gz BLIXRSIEACRHFM-SNVBAGLBSA-N 1 2 247.298 1.185 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000827680737 587396154 /nfs/dbraw/zinc/39/61/54/587396154.db2.gz XCGBAEJMPFGKPT-MGCOHNPYSA-N 1 2 245.282 1.470 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CCCC23CC3)c1 ZINC000827831100 587404895 /nfs/dbraw/zinc/40/48/95/587404895.db2.gz LABBHIRQOKEFCI-ZYOFXKKJSA-N 1 2 245.326 1.882 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CCCC23CC3)c1 ZINC000827831095 587404955 /nfs/dbraw/zinc/40/49/55/587404955.db2.gz LABBHIRQOKEFCI-ITKZLYELSA-N 1 2 245.326 1.882 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000828011554 587416320 /nfs/dbraw/zinc/41/63/20/587416320.db2.gz LMUTWCOHIVQKFJ-AAEUAGOBSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000828011554 587416322 /nfs/dbraw/zinc/41/63/22/587416322.db2.gz LMUTWCOHIVQKFJ-AAEUAGOBSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000828011556 587416502 /nfs/dbraw/zinc/41/65/02/587416502.db2.gz LMUTWCOHIVQKFJ-WCQYABFASA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000828011556 587416503 /nfs/dbraw/zinc/41/65/03/587416503.db2.gz LMUTWCOHIVQKFJ-WCQYABFASA-N 1 2 243.347 1.073 20 0 BDADLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000828276223 587430732 /nfs/dbraw/zinc/43/07/32/587430732.db2.gz IKQNXLRJPHJLPT-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCc1c[nH+]c[nH]1 ZINC000828361199 587438602 /nfs/dbraw/zinc/43/86/02/587438602.db2.gz OJVWTCXEUVOBHT-NSHDSACASA-N 1 2 227.283 1.944 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCc1c[nH]c[nH+]1 ZINC000828361199 587438603 /nfs/dbraw/zinc/43/86/03/587438603.db2.gz OJVWTCXEUVOBHT-NSHDSACASA-N 1 2 227.283 1.944 20 0 BDADLO Cc1cccc(CC[N@H+]2CC(=O)N(C)C[C@H]2C)n1 ZINC000828382555 587439516 /nfs/dbraw/zinc/43/95/16/587439516.db2.gz SWSGZERIODGSRW-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cccc(CC[N@@H+]2CC(=O)N(C)C[C@H]2C)n1 ZINC000828382555 587439518 /nfs/dbraw/zinc/43/95/18/587439518.db2.gz SWSGZERIODGSRW-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC1(C)C ZINC000828413580 587440978 /nfs/dbraw/zinc/44/09/78/587440978.db2.gz USORQRRGQFVUMZ-NXEZZACHSA-N 1 2 233.315 1.535 20 0 BDADLO C[S@@](=O)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000828519662 587447660 /nfs/dbraw/zinc/44/76/60/587447660.db2.gz HWQMMBDAYWVFDU-MEDUHNTESA-N 1 2 241.360 1.315 20 0 BDADLO C[S@@](=O)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000828519662 587447661 /nfs/dbraw/zinc/44/76/61/587447661.db2.gz HWQMMBDAYWVFDU-MEDUHNTESA-N 1 2 241.360 1.315 20 0 BDADLO COC(C)(C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828752478 587460264 /nfs/dbraw/zinc/46/02/64/587460264.db2.gz VYNPRIFMBDFGJI-VIFPVBQESA-N 1 2 239.319 1.272 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2=CCCC2)C1 ZINC000828878183 587468029 /nfs/dbraw/zinc/46/80/29/587468029.db2.gz YPAIYKYRNSLHPF-GFCCVEGCSA-N 1 2 239.315 1.361 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCC2=CCCC2)C1 ZINC000828878183 587468031 /nfs/dbraw/zinc/46/80/31/587468031.db2.gz YPAIYKYRNSLHPF-GFCCVEGCSA-N 1 2 239.315 1.361 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143545 587484797 /nfs/dbraw/zinc/48/47/97/587484797.db2.gz RGJWPHPHOJMELD-SECBINFHSA-N 1 2 241.722 1.259 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143545 587484798 /nfs/dbraw/zinc/48/47/98/587484798.db2.gz RGJWPHPHOJMELD-SECBINFHSA-N 1 2 241.722 1.259 20 0 BDADLO CCc1nc(CNc2cc(C)[nH+]cn2)co1 ZINC000829183607 587486928 /nfs/dbraw/zinc/48/69/28/587486928.db2.gz GWXWJXZVUNXLQC-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO FCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829261222 587490445 /nfs/dbraw/zinc/49/04/45/587490445.db2.gz JSFJJXQLDGCIIS-VIFPVBQESA-N 1 2 205.298 1.164 20 0 BDADLO FCC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829261222 587490446 /nfs/dbraw/zinc/49/04/46/587490446.db2.gz JSFJJXQLDGCIIS-VIFPVBQESA-N 1 2 205.298 1.164 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)CCCF)cc2C1 ZINC000829390599 587495166 /nfs/dbraw/zinc/49/51/66/587495166.db2.gz BVWXKJPXHKCMAY-UHFFFAOYSA-N 1 2 240.282 1.017 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)CCCF)cc2C1 ZINC000829390599 587495167 /nfs/dbraw/zinc/49/51/67/587495167.db2.gz BVWXKJPXHKCMAY-UHFFFAOYSA-N 1 2 240.282 1.017 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)/C=C\C3CC3)cc2C1 ZINC000829441530 587497568 /nfs/dbraw/zinc/49/75/68/587497568.db2.gz MSUOJIKXIXAGPO-PLNGDYQASA-N 1 2 246.314 1.233 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)/C=C\C3CC3)cc2C1 ZINC000829441530 587497570 /nfs/dbraw/zinc/49/75/70/587497570.db2.gz MSUOJIKXIXAGPO-PLNGDYQASA-N 1 2 246.314 1.233 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C3CC=CC3)cc2C1 ZINC000829441849 587497768 /nfs/dbraw/zinc/49/77/68/587497768.db2.gz OHMIKNBYYRJDOL-UHFFFAOYSA-N 1 2 246.314 1.233 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C3CC=CC3)cc2C1 ZINC000829441849 587497769 /nfs/dbraw/zinc/49/77/69/587497769.db2.gz OHMIKNBYYRJDOL-UHFFFAOYSA-N 1 2 246.314 1.233 20 0 BDADLO CCCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829471593 587499245 /nfs/dbraw/zinc/49/92/45/587499245.db2.gz CJIQIOKOVHUFPG-UHFFFAOYSA-N 1 2 222.292 1.067 20 0 BDADLO CCCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829471593 587499247 /nfs/dbraw/zinc/49/92/47/587499247.db2.gz CJIQIOKOVHUFPG-UHFFFAOYSA-N 1 2 222.292 1.067 20 0 BDADLO Cc1ccc(NC(=O)c2cn(C)c(=O)[nH]2)c(C)[nH+]1 ZINC000829949564 587530065 /nfs/dbraw/zinc/53/00/65/587530065.db2.gz ZKYWLSBJVXVCQL-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC(F)(F)C1 ZINC000830362333 587547955 /nfs/dbraw/zinc/54/79/55/587547955.db2.gz KRLQEHBKCYPFOJ-SSDOTTSWSA-N 1 2 229.230 1.256 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(C(F)F)CC1 ZINC000830431386 587551219 /nfs/dbraw/zinc/55/12/19/587551219.db2.gz XGKAPDXNHSLTEA-UHFFFAOYSA-N 1 2 243.257 1.456 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000830657685 587562823 /nfs/dbraw/zinc/56/28/23/587562823.db2.gz FYQWTVRSTDPHSP-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC(F)(F)C2 ZINC000830726385 587565500 /nfs/dbraw/zinc/56/55/00/587565500.db2.gz LKDSBJHCPJYHRR-UHFFFAOYSA-N 1 2 241.241 1.210 20 0 BDADLO OC[C@@]1(F)C[N@H+](CCF)C[C@H]1c1ccccc1 ZINC000830738469 587565849 /nfs/dbraw/zinc/56/58/49/587565849.db2.gz GAQCVKGDLAEQHH-STQMWFEESA-N 1 2 241.281 1.756 20 0 BDADLO OC[C@@]1(F)C[N@@H+](CCF)C[C@H]1c1ccccc1 ZINC000830738469 587565850 /nfs/dbraw/zinc/56/58/50/587565850.db2.gz GAQCVKGDLAEQHH-STQMWFEESA-N 1 2 241.281 1.756 20 0 BDADLO CCON(CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000831454357 587609201 /nfs/dbraw/zinc/60/92/01/587609201.db2.gz JPKIBMWNNLHKHN-JTQLQIEISA-N 1 2 225.292 1.634 20 0 BDADLO Cc1ccncc1[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831613641 587623992 /nfs/dbraw/zinc/62/39/92/587623992.db2.gz SQPLOLCSHVDIPR-JTQLQIEISA-N 1 2 244.298 1.533 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOC1CCCC1 ZINC000831701562 587627936 /nfs/dbraw/zinc/62/79/36/587627936.db2.gz CEOGOXKVZMXRTM-GHMZBOCLSA-N 1 2 249.314 1.514 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cncc(F)c1 ZINC000831760715 587630620 /nfs/dbraw/zinc/63/06/20/587630620.db2.gz JWLPZSMCQMOGRB-QMMMGPOBSA-N 1 2 248.261 1.364 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCCCC2 ZINC000831867778 587635194 /nfs/dbraw/zinc/63/51/94/587635194.db2.gz IUSFELKHIIYQHY-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCCS1 ZINC000832016812 587642535 /nfs/dbraw/zinc/64/25/35/587642535.db2.gz ANMXAKKHDVZAFJ-VIFPVBQESA-N 1 2 239.344 1.354 20 0 BDADLO C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCO[C@@H]1C1CC1 ZINC000832126615 587645785 /nfs/dbraw/zinc/64/57/85/587645785.db2.gz PAYFTKGTUQEXPC-OLZOCXBDSA-N 1 2 249.314 1.026 20 0 BDADLO CCC[C@H](O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000832667659 587676139 /nfs/dbraw/zinc/67/61/39/587676139.db2.gz LXMKRWOLDWIHBZ-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO OCCC[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000832783647 587689095 /nfs/dbraw/zinc/68/90/95/587689095.db2.gz SNSCUPFZFSOZOT-MRVPVSSYSA-N 1 2 243.244 1.981 20 0 BDADLO OCCC[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000832783647 587689096 /nfs/dbraw/zinc/68/90/96/587689096.db2.gz SNSCUPFZFSOZOT-MRVPVSSYSA-N 1 2 243.244 1.981 20 0 BDADLO CCC1(CC)C[NH+](CCS(C)(=O)=O)C1 ZINC000834377517 587753531 /nfs/dbraw/zinc/75/35/31/587753531.db2.gz DYJMCRQVGVRLQI-UHFFFAOYSA-N 1 2 219.350 1.153 20 0 BDADLO C[C@H]1CSCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834393101 587754414 /nfs/dbraw/zinc/75/44/14/587754414.db2.gz HHJMKNXNINZFJY-SECBINFHSA-N 1 2 239.344 1.164 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC(=O)C1 ZINC000834836959 587768523 /nfs/dbraw/zinc/76/85/23/587768523.db2.gz POOHABSHWSHLDV-VIFPVBQESA-N 1 2 243.266 1.642 20 0 BDADLO CCC1C[NH+](Cc2ncc(Cl)n2C)C1 ZINC000835075751 587780006 /nfs/dbraw/zinc/78/00/06/587780006.db2.gz ZLJPDXHIHMDUHK-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000835325951 587796601 /nfs/dbraw/zinc/79/66/01/587796601.db2.gz ZJNNREBGJNIQAX-GMXVVIOVSA-N 1 2 248.326 1.942 20 0 BDADLO O=C(CSC1CC1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835371549 587798521 /nfs/dbraw/zinc/79/85/21/587798521.db2.gz OFHFMXXVANYTRN-SECBINFHSA-N 1 2 247.335 1.469 20 0 BDADLO O=C(CSC1CC1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835371549 587798522 /nfs/dbraw/zinc/79/85/22/587798522.db2.gz OFHFMXXVANYTRN-SECBINFHSA-N 1 2 247.335 1.469 20 0 BDADLO CCCCCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836197725 587828370 /nfs/dbraw/zinc/82/83/70/587828370.db2.gz WSMTVQFMEFBNGL-JTQLQIEISA-N 1 2 236.319 1.817 20 0 BDADLO C[C@H]1CC=C(C(=O)NC2=[NH+]CCS2)CC1 ZINC000836250198 587829671 /nfs/dbraw/zinc/82/96/71/587829671.db2.gz RKSBJPNNNPNYLO-QMMMGPOBSA-N 1 2 224.329 1.952 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836298936 587830180 /nfs/dbraw/zinc/83/01/80/587830180.db2.gz MFJDYRSJENYHAU-UWVGGRQHSA-N 1 2 248.330 1.673 20 0 BDADLO O=C(NCCCC1CC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836313978 587830571 /nfs/dbraw/zinc/83/05/71/587830571.db2.gz HIWXTEAXHXVFEE-LLVKDONJSA-N 1 2 248.330 1.817 20 0 BDADLO CC1(CCNC(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000836433115 587833163 /nfs/dbraw/zinc/83/31/63/587833163.db2.gz IZLJKBAZHPKVTK-SNVBAGLBSA-N 1 2 248.330 1.817 20 0 BDADLO Cc1cc(NC(=O)NOC(C)C)c(C)c[nH+]1 ZINC000836483998 587834049 /nfs/dbraw/zinc/83/40/49/587834049.db2.gz DYDLSIXEGXGZNR-UHFFFAOYSA-N 1 2 223.276 1.582 20 0 BDADLO C[C@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836515817 587834557 /nfs/dbraw/zinc/83/45/57/587834557.db2.gz IYICTUVWONWWKH-QWRGUYRKSA-N 1 2 248.330 1.912 20 0 BDADLO CC[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836515592 587834639 /nfs/dbraw/zinc/83/46/39/587834639.db2.gz CZEXSYMQYKUVAD-MNOVXSKESA-N 1 2 248.330 1.769 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)NOC(C)C ZINC000836628270 587835673 /nfs/dbraw/zinc/83/56/73/587835673.db2.gz OLFXBUSUNSREIH-VIFPVBQESA-N 1 2 240.307 1.603 20 0 BDADLO CCC/C=C\C(=O)NCc1[nH+]ccn1CC ZINC000836807583 587838367 /nfs/dbraw/zinc/83/83/67/587838367.db2.gz LOSKDGOTMBZVOH-SREVYHEPSA-N 1 2 221.304 1.876 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C(F)F)n1 ZINC000837263998 587862421 /nfs/dbraw/zinc/86/24/21/587862421.db2.gz PZTMIPHHDOVZKJ-UHFFFAOYSA-N 1 2 235.259 1.408 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccc[nH]1 ZINC000837402647 587870846 /nfs/dbraw/zinc/87/08/46/587870846.db2.gz MNGNNHAGWRTGGN-UHFFFAOYSA-N 1 2 219.244 1.148 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H]1CCOC1 ZINC000837430060 587872332 /nfs/dbraw/zinc/87/23/32/587872332.db2.gz KJMZIYPKLULNLZ-SECBINFHSA-N 1 2 236.271 1.377 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)O[C@H]1CCOC1 ZINC000837430061 587872511 /nfs/dbraw/zinc/87/25/11/587872511.db2.gz KJMZIYPKLULNLZ-VIFPVBQESA-N 1 2 236.271 1.377 20 0 BDADLO CCC[C@@H](O)CC(=O)OCCc1c[nH+]cn1C ZINC000837529764 587879970 /nfs/dbraw/zinc/87/99/70/587879970.db2.gz NNTOECKCOAPTJK-LLVKDONJSA-N 1 2 240.303 1.057 20 0 BDADLO C[C@H](CC(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000837717036 587892220 /nfs/dbraw/zinc/89/22/20/587892220.db2.gz IHFAANXHKUPIJF-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1ccn(CC(=O)OCCCn2cc[nH+]c2)n1 ZINC000837818295 587898202 /nfs/dbraw/zinc/89/82/02/587898202.db2.gz NLVUCIZBYMLONN-UHFFFAOYSA-N 1 2 248.286 1.022 20 0 BDADLO CCO/C=C\C(=O)OCc1c[nH+]ccc1OC ZINC000840586450 587912859 /nfs/dbraw/zinc/91/28/59/587912859.db2.gz DYSPYXREZARWFC-ALCCZGGFSA-N 1 2 237.255 1.684 20 0 BDADLO Cc1occc1C[NH+]1CC(O)(C(C)C)C1 ZINC000840952703 587931926 /nfs/dbraw/zinc/93/19/26/587931926.db2.gz GKUYMMWCCXUXLA-UHFFFAOYSA-N 1 2 209.289 1.791 20 0 BDADLO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000841758440 587974353 /nfs/dbraw/zinc/97/43/53/587974353.db2.gz HNUYJMWENSBNNR-PTOFAABTSA-N 1 2 221.304 1.290 20 0 BDADLO Cc1ccc(C(N)=[NH+]OCC[C@H](C)O)cc1F ZINC000842021751 587989295 /nfs/dbraw/zinc/98/92/95/587989295.db2.gz MFOPHYGHZORVLT-VIFPVBQESA-N 1 2 240.278 1.752 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)Cc1ccccc1 ZINC000842022450 587989515 /nfs/dbraw/zinc/98/95/15/587989515.db2.gz UOYQUSFAJHSGDJ-JTQLQIEISA-N 1 2 222.288 1.498 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)[C@@H](C)OCC(C)C)OC ZINC000842033857 587991525 /nfs/dbraw/zinc/99/15/25/587991525.db2.gz ZXNSQAWHMCRUHE-MNOVXSKESA-N 1 2 246.351 1.971 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC1CC(F)(F)C1 ZINC000842037272 587992185 /nfs/dbraw/zinc/99/21/85/587992185.db2.gz VQUQYOQFDYVUBC-ZCFIWIBFSA-N 1 2 222.235 1.565 20 0 BDADLO NC(=[NH+]OCC1CC(F)(F)C1)[C@@H]1CCCO1 ZINC000842047501 587992935 /nfs/dbraw/zinc/99/29/35/587992935.db2.gz PIELGILXCVNQFL-QMMMGPOBSA-N 1 2 234.246 1.709 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](CC)OC)C(C)(C)C ZINC000842154367 588004126 /nfs/dbraw/zinc/00/41/26/588004126.db2.gz WITBRZXRDNYPPS-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO O=C(OCCc1cn2ccccc2[nH+]1)C1(F)CC1 ZINC000842797791 588064459 /nfs/dbraw/zinc/06/44/59/588064459.db2.gz LKERKIUXVAQTJM-UHFFFAOYSA-N 1 2 248.257 1.922 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842891192 588070986 /nfs/dbraw/zinc/07/09/86/588070986.db2.gz PLTCHLNVYZRRMB-CMPLNLGQSA-N 1 2 246.310 1.717 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)c2cnn(C)c2)n1 ZINC000843144434 588085863 /nfs/dbraw/zinc/08/58/63/588085863.db2.gz CFRNVZDBNSQCIM-MRVPVSSYSA-N 1 2 235.291 1.064 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C2(F)CC2)c2[nH+]ccn21 ZINC000843601317 588128557 /nfs/dbraw/zinc/12/85/57/588128557.db2.gz GWQZJFFBGGJBLK-YUMQZZPRSA-N 1 2 223.251 1.507 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(F)CC1 ZINC000843602679 588128722 /nfs/dbraw/zinc/12/87/22/588128722.db2.gz WIDFLJVAWBFUFF-QMMMGPOBSA-N 1 2 225.267 1.582 20 0 BDADLO O=C(/C=C\C1CCCC1)NCc1c[nH+]c[nH]1 ZINC000843803753 588141876 /nfs/dbraw/zinc/14/18/76/588141876.db2.gz CHRHOTYHQQOGCJ-WAYWQWQTSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(C=CC1CCCC1)NCc1c[nH]c[nH+]1 ZINC000843803753 588141877 /nfs/dbraw/zinc/14/18/77/588141877.db2.gz CHRHOTYHQQOGCJ-WAYWQWQTSA-N 1 2 219.288 1.772 20 0 BDADLO CCCONC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000844084059 588162540 /nfs/dbraw/zinc/16/25/40/588162540.db2.gz ZWHMOJZBHFSKET-UHFFFAOYSA-N 1 2 246.270 1.339 20 0 BDADLO CC[N@H+](Cc1nonc1C)[C@H]1CCCOC1 ZINC000844402799 588190309 /nfs/dbraw/zinc/19/03/09/588190309.db2.gz WHLYEEIJWDQOPD-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1nonc1C)[C@H]1CCCOC1 ZINC000844402799 588190310 /nfs/dbraw/zinc/19/03/10/588190310.db2.gz WHLYEEIJWDQOPD-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nn(C)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844404622 588190368 /nfs/dbraw/zinc/19/03/68/588190368.db2.gz RZKQGVVMMVGUFP-SECBINFHSA-N 1 2 247.302 1.515 20 0 BDADLO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)OCC(C)C ZINC000844405697 588190494 /nfs/dbraw/zinc/19/04/94/588190494.db2.gz AWZOSHGMLNQBNG-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)oc1C ZINC000844451970 588195660 /nfs/dbraw/zinc/19/56/60/588195660.db2.gz KUXYKYUFRCSGFZ-DTORHVGOSA-N 1 2 228.242 1.988 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)oc1C ZINC000844451970 588195661 /nfs/dbraw/zinc/19/56/61/588195661.db2.gz KUXYKYUFRCSGFZ-DTORHVGOSA-N 1 2 228.242 1.988 20 0 BDADLO CC1(C)C[N@H+](C/C=C\Cl)[C@@H]2COC[C@H]2O1 ZINC000844469080 588198234 /nfs/dbraw/zinc/19/82/34/588198234.db2.gz VFMMXXVWTUHDHD-HWKXXFMVSA-N 1 2 231.723 1.617 20 0 BDADLO CC1(C)C[N@@H+](C/C=C\Cl)[C@@H]2COC[C@H]2O1 ZINC000844469080 588198235 /nfs/dbraw/zinc/19/82/35/588198235.db2.gz VFMMXXVWTUHDHD-HWKXXFMVSA-N 1 2 231.723 1.617 20 0 BDADLO CCn1ncc(CNc2cc(C)c[nH+]c2C)n1 ZINC000844709500 588214776 /nfs/dbraw/zinc/21/47/76/588214776.db2.gz QILUAKLEYNNBKV-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO O=c1sccn1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844756894 588216247 /nfs/dbraw/zinc/21/62/47/588216247.db2.gz HUHAJFYPGFVQII-SECBINFHSA-N 1 2 246.282 1.598 20 0 BDADLO O=c1sccn1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844756894 588216248 /nfs/dbraw/zinc/21/62/48/588216248.db2.gz HUHAJFYPGFVQII-SECBINFHSA-N 1 2 246.282 1.598 20 0 BDADLO C[C@H](CC(=O)OC[C@H]1CCOC1)n1cc[nH+]c1 ZINC000845280260 588225502 /nfs/dbraw/zinc/22/55/02/588225502.db2.gz IBYRESJSJHPIIY-MNOVXSKESA-N 1 2 238.287 1.414 20 0 BDADLO COC/C(C)=C/C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000845932643 588250821 /nfs/dbraw/zinc/25/08/21/588250821.db2.gz HWOUGMZSCMTMGQ-UXBLZVDNSA-N 1 2 249.314 1.126 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000846088321 588255720 /nfs/dbraw/zinc/25/57/20/588255720.db2.gz XDPHUQJCPSIHPE-GARJFASQSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000846086298 588255976 /nfs/dbraw/zinc/25/59/76/588255976.db2.gz NSHVSWGISYALTE-ZJUUUORDSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H](C)C(C)(C)C ZINC000846090639 588256261 /nfs/dbraw/zinc/25/62/61/588256261.db2.gz CHADIDRBMMXUJV-VIFPVBQESA-N 1 2 216.325 1.326 20 0 BDADLO CCCC[C@@H](C)[C@H](C)[NH2+]CC(=O)NOCC ZINC000846090436 588256466 /nfs/dbraw/zinc/25/64/66/588256466.db2.gz AHZLTWLRKPQFTK-MNOVXSKESA-N 1 2 230.352 1.859 20 0 BDADLO CC(C)(C)C(=O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846245638 588262381 /nfs/dbraw/zinc/26/23/81/588262381.db2.gz ZVOHIMAJOLGEMZ-UHFFFAOYSA-N 1 2 237.303 1.376 20 0 BDADLO CC(C)(NC(=O)C=C1CCC1)c1[nH]cc[nH+]1 ZINC000846245564 588262445 /nfs/dbraw/zinc/26/24/45/588262445.db2.gz XBVCEZMNERDFIK-UHFFFAOYSA-N 1 2 219.288 1.871 20 0 BDADLO C/C=C(/C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846245320 588262596 /nfs/dbraw/zinc/26/25/96/588262596.db2.gz VBAWOOAKBZVRSW-YVMONPNESA-N 1 2 207.277 1.727 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2nonc2c1 ZINC000846796304 588288875 /nfs/dbraw/zinc/28/88/75/588288875.db2.gz INQZCZWPGBEDJQ-UHFFFAOYSA-N 1 2 249.270 1.218 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2nonc2c1 ZINC000846796304 588288876 /nfs/dbraw/zinc/28/88/76/588288876.db2.gz INQZCZWPGBEDJQ-UHFFFAOYSA-N 1 2 249.270 1.218 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cnsn2)CC1 ZINC000846804723 588289542 /nfs/dbraw/zinc/28/95/42/588289542.db2.gz YIAGJCZFYHXECH-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO C[N@H+](CCC1CCOCC1)Cc1cnsn1 ZINC000846814960 588291030 /nfs/dbraw/zinc/29/10/30/588291030.db2.gz HLGICFKFPYNONM-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO C[N@@H+](CCC1CCOCC1)Cc1cnsn1 ZINC000846814960 588291031 /nfs/dbraw/zinc/29/10/31/588291031.db2.gz HLGICFKFPYNONM-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000846838408 588292196 /nfs/dbraw/zinc/29/21/96/588292196.db2.gz ZUFQFDFPJWXKSA-VIFPVBQESA-N 1 2 239.388 1.896 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000846838408 588292197 /nfs/dbraw/zinc/29/21/97/588292197.db2.gz ZUFQFDFPJWXKSA-VIFPVBQESA-N 1 2 239.388 1.896 20 0 BDADLO CCN1C[C@@H](C[N@@H+]2CCC=C(F)C2)OC1=O ZINC000846839821 588292278 /nfs/dbraw/zinc/29/22/78/588292278.db2.gz FGXNHTQYTFHMRR-SNVBAGLBSA-N 1 2 228.267 1.386 20 0 BDADLO CCN1C[C@@H](C[N@H+]2CCC=C(F)C2)OC1=O ZINC000846839821 588292279 /nfs/dbraw/zinc/29/22/79/588292279.db2.gz FGXNHTQYTFHMRR-SNVBAGLBSA-N 1 2 228.267 1.386 20 0 BDADLO C[C@H]([NH2+]Cc1cnsn1)c1cncc(F)c1 ZINC000846850766 588292933 /nfs/dbraw/zinc/29/29/33/588292933.db2.gz NSLWXEDNDUFHIF-ZETCQYMHSA-N 1 2 238.291 1.923 20 0 BDADLO CC(C)(O)C[N@H+](Cc1cnsn1)C1CC1 ZINC000846859563 588293788 /nfs/dbraw/zinc/29/37/88/588293788.db2.gz WNMDSADRAWMEBT-UHFFFAOYSA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(O)C[N@@H+](Cc1cnsn1)C1CC1 ZINC000846859563 588293789 /nfs/dbraw/zinc/29/37/89/588293789.db2.gz WNMDSADRAWMEBT-UHFFFAOYSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H]1CCSCC[N@@H+]1Cc1cnsn1 ZINC000846873483 588294681 /nfs/dbraw/zinc/29/46/81/588294681.db2.gz UAGWOFHMZCWNTI-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CCSCC[N@H+]1Cc1cnsn1 ZINC000846873483 588294682 /nfs/dbraw/zinc/29/46/82/588294682.db2.gz UAGWOFHMZCWNTI-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO CCOC1(C)CC[NH+](Cc2cnsn2)CC1 ZINC000846917043 588296941 /nfs/dbraw/zinc/29/69/41/588296941.db2.gz FPMOVYBMJINTQW-UHFFFAOYSA-N 1 2 241.360 1.929 20 0 BDADLO CON1CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000846972860 588299254 /nfs/dbraw/zinc/29/92/54/588299254.db2.gz SHFJDCQIKOEMDZ-UHFFFAOYSA-N 1 2 241.360 1.439 20 0 BDADLO CON1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000846970297 588299325 /nfs/dbraw/zinc/29/93/25/588299325.db2.gz DBWVVBSXBZIXIJ-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO CON1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000846974168 588299381 /nfs/dbraw/zinc/29/93/81/588299381.db2.gz FOGVTAFVCPWQNN-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000846983880 588300339 /nfs/dbraw/zinc/30/03/39/588300339.db2.gz OGODDJGGFRJNKZ-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000846983880 588300340 /nfs/dbraw/zinc/30/03/40/588300340.db2.gz OGODDJGGFRJNKZ-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847162712 588308248 /nfs/dbraw/zinc/30/82/48/588308248.db2.gz NGWBNJPOGMKLQN-NXEZZACHSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)CONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847603159 588318250 /nfs/dbraw/zinc/31/82/50/588318250.db2.gz HPYXMSUVCCDPOV-SECBINFHSA-N 1 2 225.292 1.292 20 0 BDADLO CC(C)CONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847603159 588318251 /nfs/dbraw/zinc/31/82/51/588318251.db2.gz HPYXMSUVCCDPOV-SECBINFHSA-N 1 2 225.292 1.292 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000847621882 588319347 /nfs/dbraw/zinc/31/93/47/588319347.db2.gz UUPVWBNYCWKWHN-VHSXEESVSA-N 1 2 246.314 1.794 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000847621882 588319349 /nfs/dbraw/zinc/31/93/49/588319349.db2.gz UUPVWBNYCWKWHN-VHSXEESVSA-N 1 2 246.314 1.794 20 0 BDADLO CC(=O)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847624413 588319355 /nfs/dbraw/zinc/31/93/55/588319355.db2.gz UWMZEKIEWXMEHP-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO CC(=O)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847624413 588319357 /nfs/dbraw/zinc/31/93/57/588319357.db2.gz UWMZEKIEWXMEHP-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NN1CCCCC1 ZINC000847617737 588319374 /nfs/dbraw/zinc/31/93/74/588319374.db2.gz YPXSLQCMMNTCAD-JTQLQIEISA-N 1 2 236.319 1.105 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NN1CCCCC1 ZINC000847617737 588319376 /nfs/dbraw/zinc/31/93/76/588319376.db2.gz YPXSLQCMMNTCAD-JTQLQIEISA-N 1 2 236.319 1.105 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847911883 588342804 /nfs/dbraw/zinc/34/28/04/588342804.db2.gz XRKMABRHVJZBIU-ZETCQYMHSA-N 1 2 233.275 1.259 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847911883 588342806 /nfs/dbraw/zinc/34/28/06/588342806.db2.gz XRKMABRHVJZBIU-ZETCQYMHSA-N 1 2 233.275 1.259 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847911882 588342827 /nfs/dbraw/zinc/34/28/27/588342827.db2.gz XRKMABRHVJZBIU-SSDOTTSWSA-N 1 2 233.275 1.259 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847911882 588342829 /nfs/dbraw/zinc/34/28/29/588342829.db2.gz XRKMABRHVJZBIU-SSDOTTSWSA-N 1 2 233.275 1.259 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C\SC ZINC000848174376 588365377 /nfs/dbraw/zinc/36/53/77/588365377.db2.gz IFTBRJCGAQSWAD-DAXSKMNVSA-N 1 2 225.317 1.396 20 0 BDADLO CCCONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848238920 588366875 /nfs/dbraw/zinc/36/68/75/588366875.db2.gz WRWQZIAXKWREAG-MRVPVSSYSA-N 1 2 211.265 1.046 20 0 BDADLO CCCONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848238920 588366877 /nfs/dbraw/zinc/36/68/77/588366877.db2.gz WRWQZIAXKWREAG-MRVPVSSYSA-N 1 2 211.265 1.046 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)COC(C)C)cn1 ZINC000848508282 588387598 /nfs/dbraw/zinc/38/75/98/588387598.db2.gz CPKOXXHFVJZRIZ-UHFFFAOYSA-N 1 2 237.303 1.813 20 0 BDADLO CCc1cc(CNc2nc[nH+]c(C)c2OC)[nH]n1 ZINC000848665275 588404669 /nfs/dbraw/zinc/40/46/69/588404669.db2.gz RUGKUGQSVSEGKZ-UHFFFAOYSA-N 1 2 247.302 1.691 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCn2nncc2C1 ZINC000848921652 588421143 /nfs/dbraw/zinc/42/11/43/588421143.db2.gz FAEJOHBBSHYSMC-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCn2nncc2C1 ZINC000848921652 588421144 /nfs/dbraw/zinc/42/11/44/588421144.db2.gz FAEJOHBBSHYSMC-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000849395595 588476419 /nfs/dbraw/zinc/47/64/19/588476419.db2.gz XTPODQLNRZHNNS-VIFPVBQESA-N 1 2 222.292 1.378 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OC1CCCC1 ZINC000849407608 588477050 /nfs/dbraw/zinc/47/70/50/588477050.db2.gz LTZRCBVJHQPWDM-UHFFFAOYSA-N 1 2 223.276 1.921 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OC1CCCC1 ZINC000849407608 588477052 /nfs/dbraw/zinc/47/70/52/588477052.db2.gz LTZRCBVJHQPWDM-UHFFFAOYSA-N 1 2 223.276 1.921 20 0 BDADLO CCCN(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000849398217 588477110 /nfs/dbraw/zinc/47/71/10/588477110.db2.gz OLEPVNMRJXPRIO-UHFFFAOYSA-N 1 2 224.308 1.014 20 0 BDADLO Fc1cccc(C[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC000850221849 588530198 /nfs/dbraw/zinc/53/01/98/588530198.db2.gz OMIXSFVPPBEGHS-UHFFFAOYSA-N 1 2 246.289 1.653 20 0 BDADLO Cc1[nH]c(CNCC2(C)OCCCO2)[nH+]c1C ZINC000850275097 588534189 /nfs/dbraw/zinc/53/41/89/588534189.db2.gz GMSJNDOLYJVTSP-UHFFFAOYSA-N 1 2 239.319 1.269 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH2+]C(CF)CF ZINC000850313020 588535850 /nfs/dbraw/zinc/53/58/50/588535850.db2.gz LWOVQZZTVQWBOJ-UHFFFAOYSA-N 1 2 229.274 1.695 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)s1 ZINC000850352436 588537794 /nfs/dbraw/zinc/53/77/94/588537794.db2.gz WMAPNQXAKAXIIA-XCBNKYQSSA-N 1 2 249.343 1.839 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)s1 ZINC000850352435 588538263 /nfs/dbraw/zinc/53/82/63/588538263.db2.gz WMAPNQXAKAXIIA-OIBJUYFYSA-N 1 2 249.343 1.839 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850372165 588541783 /nfs/dbraw/zinc/54/17/83/588541783.db2.gz QNXRQIJTMGVEMC-OLZOCXBDSA-N 1 2 243.310 1.688 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)n1 ZINC000850375993 588542208 /nfs/dbraw/zinc/54/22/08/588542208.db2.gz VIJKTSZWXPUTQG-OLZOCXBDSA-N 1 2 243.310 1.986 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)n1 ZINC000850375249 588542325 /nfs/dbraw/zinc/54/23/25/588542325.db2.gz QEMQLQKWBSONMI-QWHCGFSZSA-N 1 2 244.298 1.083 20 0 BDADLO C[C@H](CO)[C@H](C)[NH2+]CC(F)(F)Br ZINC000851933880 588645585 /nfs/dbraw/zinc/64/55/85/588645585.db2.gz VUQKGIXPOXETDJ-RITPCOANSA-N 1 2 246.095 1.581 20 0 BDADLO FC(F)(F)[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851711984 588615367 /nfs/dbraw/zinc/61/53/67/588615367.db2.gz HVRPYJUEUWFDOJ-SSDOTTSWSA-N 1 2 235.209 1.844 20 0 BDADLO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851711984 588615368 /nfs/dbraw/zinc/61/53/68/588615368.db2.gz HVRPYJUEUWFDOJ-SSDOTTSWSA-N 1 2 235.209 1.844 20 0 BDADLO C[N@H+](Cc1cnon1)Cc1ccccc1 ZINC000851718286 588616700 /nfs/dbraw/zinc/61/67/00/588616700.db2.gz HYJBILWEIGNKHH-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1cnon1)Cc1ccccc1 ZINC000851718286 588616701 /nfs/dbraw/zinc/61/67/01/588616701.db2.gz HYJBILWEIGNKHH-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+](Cc3cnon3)C2)n1 ZINC000851735519 588620637 /nfs/dbraw/zinc/62/06/37/588620637.db2.gz HEINMTXJSNAAQQ-SECBINFHSA-N 1 2 249.274 1.141 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cnon3)C2)n1 ZINC000851735519 588620638 /nfs/dbraw/zinc/62/06/38/588620638.db2.gz HEINMTXJSNAAQQ-SECBINFHSA-N 1 2 249.274 1.141 20 0 BDADLO FC(F)OCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000851806626 588631396 /nfs/dbraw/zinc/63/13/96/588631396.db2.gz SUVCEPKNLGKJHK-SNVBAGLBSA-N 1 2 247.241 1.892 20 0 BDADLO FC(F)OCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000851806626 588631397 /nfs/dbraw/zinc/63/13/97/588631397.db2.gz SUVCEPKNLGKJHK-SNVBAGLBSA-N 1 2 247.241 1.892 20 0 BDADLO COC(=O)C1([NH2+]CCC(OC)OC)CCCC1 ZINC000851869604 588637397 /nfs/dbraw/zinc/63/73/97/588637397.db2.gz LVWKGHVXMHPMEB-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC=C(Cl)Cl ZINC000851875742 588638210 /nfs/dbraw/zinc/63/82/10/588638210.db2.gz XIYVOVIZCFJWFU-SSDOTTSWSA-N 1 2 237.130 1.516 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@H+]1CC=C(Cl)Cl ZINC000851875742 588638211 /nfs/dbraw/zinc/63/82/11/588638211.db2.gz XIYVOVIZCFJWFU-SSDOTTSWSA-N 1 2 237.130 1.516 20 0 BDADLO CN1CCN(C[C@@H]2CCC(=O)O2)c2ccc[nH+]c21 ZINC000851876808 588638754 /nfs/dbraw/zinc/63/87/54/588638754.db2.gz OEKMPTXSOGJYIJ-JTQLQIEISA-N 1 2 247.298 1.043 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851882505 588639678 /nfs/dbraw/zinc/63/96/78/588639678.db2.gz ZAAYSRSBUMPSIN-ZCFIWIBFSA-N 1 2 203.192 1.157 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851882505 588639679 /nfs/dbraw/zinc/63/96/79/588639679.db2.gz ZAAYSRSBUMPSIN-ZCFIWIBFSA-N 1 2 203.192 1.157 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2cnon2)cc1 ZINC000851893751 588641576 /nfs/dbraw/zinc/64/15/76/588641576.db2.gz VOZVXCGMOWRRJB-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO OCCC[C@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851901367 588641799 /nfs/dbraw/zinc/64/17/99/588641799.db2.gz CWUOWCUMKSEQIA-ZDUSSCGKSA-N 1 2 247.298 1.673 20 0 BDADLO CC(C)[C@@H](CO)[NH2+]CC(F)(F)Br ZINC000851916995 588643107 /nfs/dbraw/zinc/64/31/07/588643107.db2.gz PPKPNCLPCKGMNI-ZCFIWIBFSA-N 1 2 246.095 1.581 20 0 BDADLO Cc1noc([C@H](C)[NH2+]C[C@H]2COC(C)(C)O2)n1 ZINC000851928376 588644914 /nfs/dbraw/zinc/64/49/14/588644914.db2.gz LNEWIYQXIQJWNX-CBAPKCEASA-N 1 2 241.291 1.180 20 0 BDADLO C[C@H]1C[N@H+](C[C@H]2COC(C)(C)O2)CCC1=O ZINC000851952097 588647659 /nfs/dbraw/zinc/64/76/59/588647659.db2.gz IHWQNEKHJNXACD-UWVGGRQHSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H]2COC(C)(C)O2)CCC1=O ZINC000851952097 588647660 /nfs/dbraw/zinc/64/76/60/588647660.db2.gz IHWQNEKHJNXACD-UWVGGRQHSA-N 1 2 227.304 1.049 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@@](C)(F)C2)c1 ZINC000852096932 588661630 /nfs/dbraw/zinc/66/16/30/588661630.db2.gz QEMOMVSIBCJORE-LLVKDONJSA-N 1 2 211.284 1.744 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@@](C)(F)C2)c1 ZINC000852096932 588661631 /nfs/dbraw/zinc/66/16/31/588661631.db2.gz QEMOMVSIBCJORE-LLVKDONJSA-N 1 2 211.284 1.744 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+]C1(CCO)CCCC1 ZINC000852119034 588665280 /nfs/dbraw/zinc/66/52/80/588665280.db2.gz UBMAWXLKDOWQFC-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO CC[N@H+](Cc1cnon1)Cc1occc1C ZINC000852175249 588669679 /nfs/dbraw/zinc/66/96/79/588669679.db2.gz DUKYRAXCNOSOKM-UHFFFAOYSA-N 1 2 221.260 1.993 20 0 BDADLO CC[N@@H+](Cc1cnon1)Cc1occc1C ZINC000852175249 588669680 /nfs/dbraw/zinc/66/96/80/588669680.db2.gz DUKYRAXCNOSOKM-UHFFFAOYSA-N 1 2 221.260 1.993 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1cnon1)C2 ZINC000852215805 588673323 /nfs/dbraw/zinc/67/33/23/588673323.db2.gz VJNBDIHWKRHCIU-MRVPVSSYSA-N 1 2 215.203 1.301 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1cnon1)C2 ZINC000852215805 588673324 /nfs/dbraw/zinc/67/33/24/588673324.db2.gz VJNBDIHWKRHCIU-MRVPVSSYSA-N 1 2 215.203 1.301 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000852215870 588673483 /nfs/dbraw/zinc/67/34/83/588673483.db2.gz PPMNKWXQPHCKGV-GFCCVEGCSA-N 1 2 237.303 1.603 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000852215870 588673484 /nfs/dbraw/zinc/67/34/84/588673484.db2.gz PPMNKWXQPHCKGV-GFCCVEGCSA-N 1 2 237.303 1.603 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000852265938 588675153 /nfs/dbraw/zinc/67/51/53/588675153.db2.gz GYKJFTPWYBNEAI-GHMZBOCLSA-N 1 2 246.314 1.216 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cnc(Cl)cn1 ZINC000852287461 588675696 /nfs/dbraw/zinc/67/56/96/588675696.db2.gz DLEABMCOLANFPW-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cnc(Cl)cn1 ZINC000852287461 588675697 /nfs/dbraw/zinc/67/56/97/588675697.db2.gz DLEABMCOLANFPW-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(F)cn1 ZINC000852287154 588676025 /nfs/dbraw/zinc/67/60/25/588676025.db2.gz BLWBDMOBSRFENG-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@H]1C=CCC1 ZINC000852354609 588679574 /nfs/dbraw/zinc/67/95/74/588679574.db2.gz QOJFTJWRADWMFY-NSHDSACASA-N 1 2 247.298 1.608 20 0 BDADLO COCC[N@H+](CCF)Cc1cccnc1C ZINC000852479391 588683346 /nfs/dbraw/zinc/68/33/46/588683346.db2.gz FNFZAGOYUQOSAD-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1cccnc1C ZINC000852479391 588683347 /nfs/dbraw/zinc/68/33/47/588683347.db2.gz FNFZAGOYUQOSAD-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@H+](CCF)Cc1cc(C)ccn1 ZINC000852480866 588684414 /nfs/dbraw/zinc/68/44/14/588684414.db2.gz DTGXRJYTTLJWMZ-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1cc(C)ccn1 ZINC000852480866 588684415 /nfs/dbraw/zinc/68/44/15/588684415.db2.gz DTGXRJYTTLJWMZ-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCF)CCOC ZINC000852483396 588684444 /nfs/dbraw/zinc/68/44/44/588684444.db2.gz IJDOTHDDYOEPOU-GHMZBOCLSA-N 1 2 248.342 1.208 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CCF)CCOC ZINC000852483396 588684445 /nfs/dbraw/zinc/68/44/45/588684445.db2.gz IJDOTHDDYOEPOU-GHMZBOCLSA-N 1 2 248.342 1.208 20 0 BDADLO COCC[N@H+](CCF)[C@@H](C)C(=O)NCC(C)C ZINC000852483128 588684653 /nfs/dbraw/zinc/68/46/53/588684653.db2.gz CCTHTNDCIWSKAS-NSHDSACASA-N 1 2 248.342 1.065 20 0 BDADLO COCC[N@@H+](CCF)[C@@H](C)C(=O)NCC(C)C ZINC000852483128 588684654 /nfs/dbraw/zinc/68/46/54/588684654.db2.gz CCTHTNDCIWSKAS-NSHDSACASA-N 1 2 248.342 1.065 20 0 BDADLO Cc1nonc1C[N@@H+](C)CC1=CCCOC1 ZINC000852516053 588687590 /nfs/dbraw/zinc/68/75/90/588687590.db2.gz HNTUZTNEKQLWQO-UHFFFAOYSA-N 1 2 223.276 1.157 20 0 BDADLO Cc1nonc1C[N@H+](C)CC1=CCCOC1 ZINC000852516053 588687591 /nfs/dbraw/zinc/68/75/91/588687591.db2.gz HNTUZTNEKQLWQO-UHFFFAOYSA-N 1 2 223.276 1.157 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cnc(Cl)cn1)CC2 ZINC000852537718 588689077 /nfs/dbraw/zinc/68/90/77/588689077.db2.gz MMDBWCAVWARZMG-GZMMTYOYSA-N 1 2 239.706 1.087 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cnc(Cl)cn1)CC2 ZINC000852537718 588689078 /nfs/dbraw/zinc/68/90/78/588689078.db2.gz MMDBWCAVWARZMG-GZMMTYOYSA-N 1 2 239.706 1.087 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1nccs1 ZINC000852569304 588691104 /nfs/dbraw/zinc/69/11/04/588691104.db2.gz LPUBWBMGMHBCIY-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1nccs1 ZINC000852569304 588691105 /nfs/dbraw/zinc/69/11/05/588691105.db2.gz LPUBWBMGMHBCIY-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852664454 588694468 /nfs/dbraw/zinc/69/44/68/588694468.db2.gz GXFQRJPVMIJNQP-IUCAKERBSA-N 1 2 225.317 1.006 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852664454 588694469 /nfs/dbraw/zinc/69/44/69/588694469.db2.gz GXFQRJPVMIJNQP-IUCAKERBSA-N 1 2 225.317 1.006 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)CC1=CCSC1 ZINC000852747754 588699714 /nfs/dbraw/zinc/69/97/14/588699714.db2.gz WBRVUKCLHMUMLF-UHFFFAOYSA-N 1 2 243.372 1.791 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)CC1=CCSC1 ZINC000852747754 588699715 /nfs/dbraw/zinc/69/97/15/588699715.db2.gz WBRVUKCLHMUMLF-UHFFFAOYSA-N 1 2 243.372 1.791 20 0 BDADLO Cc1cocc1C(=O)OCc1c[nH+]cn1C ZINC000860575844 589106682 /nfs/dbraw/zinc/10/66/82/589106682.db2.gz IZUPMMBTCKCYOA-UHFFFAOYSA-N 1 2 220.228 1.679 20 0 BDADLO Cc1conc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000861197342 589149688 /nfs/dbraw/zinc/14/96/88/589149688.db2.gz HMPNVWBXZPDTBM-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1conc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000861197342 589149689 /nfs/dbraw/zinc/14/96/89/589149689.db2.gz HMPNVWBXZPDTBM-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO CC(=O)c1cccc(C(=O)OCC[NH+]2CCC2)c1 ZINC000861389358 589163416 /nfs/dbraw/zinc/16/34/16/589163416.db2.gz JGCGZCDJCJRVFC-UHFFFAOYSA-N 1 2 247.294 1.752 20 0 BDADLO CC(C)[C@@H](F)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762579 589177392 /nfs/dbraw/zinc/17/73/92/589177392.db2.gz YPGFDEPKYZCGDG-SNVBAGLBSA-N 1 2 225.267 1.289 20 0 BDADLO CC(C)[C@@H](F)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762579 589177393 /nfs/dbraw/zinc/17/73/93/589177393.db2.gz YPGFDEPKYZCGDG-SNVBAGLBSA-N 1 2 225.267 1.289 20 0 BDADLO COC[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000885808929 589193642 /nfs/dbraw/zinc/19/36/42/589193642.db2.gz RECBZVKLPJTMKL-SNVBAGLBSA-N 1 2 239.319 1.367 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000862530510 589218173 /nfs/dbraw/zinc/21/81/73/589218173.db2.gz NZXRDNPEDUPHIN-LLVKDONJSA-N 1 2 213.252 1.840 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000862530510 589218174 /nfs/dbraw/zinc/21/81/74/589218174.db2.gz NZXRDNPEDUPHIN-LLVKDONJSA-N 1 2 213.252 1.840 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000862529725 589218440 /nfs/dbraw/zinc/21/84/40/589218440.db2.gz GNSCAHLDUOELQO-LLVKDONJSA-N 1 2 225.267 1.037 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000862529725 589218442 /nfs/dbraw/zinc/21/84/42/589218442.db2.gz GNSCAHLDUOELQO-LLVKDONJSA-N 1 2 225.267 1.037 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)C2)C1 ZINC000119193701 589247933 /nfs/dbraw/zinc/24/79/33/589247933.db2.gz XSLPZSOVBJARJX-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)C2)C1 ZINC000119193701 589247935 /nfs/dbraw/zinc/24/79/35/589247935.db2.gz XSLPZSOVBJARJX-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CCCCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862973425 589249899 /nfs/dbraw/zinc/24/98/99/589249899.db2.gz NUJHQNPZGZQAFO-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000862973425 589249900 /nfs/dbraw/zinc/24/99/00/589249900.db2.gz NUJHQNPZGZQAFO-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CC/C(C)=C(/C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971538 589250071 /nfs/dbraw/zinc/25/00/71/589250071.db2.gz UQWSCYOCBLITCE-WEHUKYGOSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C(/C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971538 589250073 /nfs/dbraw/zinc/25/00/73/589250073.db2.gz UQWSCYOCBLITCE-WEHUKYGOSA-N 1 2 240.347 1.180 20 0 BDADLO Cn1nc(COCc2[nH]cc[nH+]2)cc1Cl ZINC000863315246 589278704 /nfs/dbraw/zinc/27/87/04/589278704.db2.gz QDYAFAYKKAJKIV-UHFFFAOYSA-N 1 2 226.667 1.513 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1ccnc(F)c1 ZINC000863459257 589289791 /nfs/dbraw/zinc/28/97/91/589289791.db2.gz MXEVFZCDZSTMAB-ZETCQYMHSA-N 1 2 227.239 1.254 20 0 BDADLO COCCCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477575 589292086 /nfs/dbraw/zinc/29/20/86/589292086.db2.gz PVSKOHCOEPXIQW-UHFFFAOYSA-N 1 2 244.335 1.871 20 0 BDADLO C[C@H](O)c1cccc(N2C[C@H]3COC[C@]3(C)C2)[nH+]1 ZINC000864089607 589343117 /nfs/dbraw/zinc/34/31/17/589343117.db2.gz UWFAGMONFOKRKA-MJVIPROJSA-N 1 2 248.326 1.608 20 0 BDADLO C[C@@H](O)c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]c1 ZINC000864090738 589343379 /nfs/dbraw/zinc/34/33/79/589343379.db2.gz ITIXNFIYZFLAEE-IQOUGMIPSA-N 1 2 248.326 1.485 20 0 BDADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1ccccc1 ZINC000864399169 589358631 /nfs/dbraw/zinc/35/86/31/589358631.db2.gz FCQFRGGDTBYKIO-DAXSKMNVSA-N 1 2 246.310 1.514 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000864604117 589382485 /nfs/dbraw/zinc/38/24/85/589382485.db2.gz NKTSUZYRSZGQAX-XAVMHZPKSA-N 1 2 224.329 1.498 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@]12C[C@H]1CCCC2 ZINC000864603990 589382659 /nfs/dbraw/zinc/38/26/59/589382659.db2.gz MIXOBNBTKOGRDV-LDYMZIIASA-N 1 2 224.329 1.786 20 0 BDADLO Nc1ccc(NC(=O)OCC(F)(F)F)c[nH+]1 ZINC000864614873 589383226 /nfs/dbraw/zinc/38/32/26/589383226.db2.gz PCWIJTSGKYIOCW-UHFFFAOYSA-N 1 2 235.165 1.775 20 0 BDADLO C[C@H](C1CC1)N(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864844310 589397601 /nfs/dbraw/zinc/39/76/01/589397601.db2.gz OUNPJIVUKIHMNQ-PRHODGIISA-N 1 2 249.314 1.233 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC(C)C)c(C)o1 ZINC000120272941 589398664 /nfs/dbraw/zinc/39/86/64/589398664.db2.gz ROLCRYHANXHXFE-UHFFFAOYSA-N 1 2 238.331 1.853 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC(C)C)c(C)o1 ZINC000120272941 589398666 /nfs/dbraw/zinc/39/86/66/589398666.db2.gz ROLCRYHANXHXFE-UHFFFAOYSA-N 1 2 238.331 1.853 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864866294 589398831 /nfs/dbraw/zinc/39/88/31/589398831.db2.gz AORULAVGCHTBLB-PSASIEDQSA-N 1 2 225.292 1.090 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864885270 589399648 /nfs/dbraw/zinc/39/96/48/589399648.db2.gz VPKBSVDWPOGNRD-BZFUBLJMSA-N 1 2 225.267 1.651 20 0 BDADLO CC[C@H](C)N(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865081458 589407878 /nfs/dbraw/zinc/40/78/78/589407878.db2.gz BVKXETAAKGSZGW-FYJFLYSWSA-N 1 2 240.347 1.132 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000865159039 589411853 /nfs/dbraw/zinc/41/18/53/589411853.db2.gz USTLHIYBMOCODE-NXEZZACHSA-N 1 2 235.331 1.719 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(C1CC1)C1CCCC1 ZINC000865162272 589412228 /nfs/dbraw/zinc/41/22/28/589412228.db2.gz ICPGPHRUYXXYTD-LBPRGKRZSA-N 1 2 249.314 1.377 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000865172288 589412733 /nfs/dbraw/zinc/41/27/33/589412733.db2.gz TXFWCBDTKIDCAG-ZQJWYQMXSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000865172288 589412734 /nfs/dbraw/zinc/41/27/34/589412734.db2.gz TXFWCBDTKIDCAG-ZQJWYQMXSA-N 1 2 244.310 1.087 20 0 BDADLO CCn1ncc(CNc2c[nH+]cc(N(C)C)c2)n1 ZINC000865294763 589420136 /nfs/dbraw/zinc/42/01/36/589420136.db2.gz RLMQIWKKLXNDSE-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CC(C)(C)c1cn(CC(=O)NC2CC2)c[nH+]1 ZINC000865375145 589428249 /nfs/dbraw/zinc/42/82/49/589428249.db2.gz QHSBGALZTKBWDO-UHFFFAOYSA-N 1 2 221.304 1.459 20 0 BDADLO C[C@H](O)CN(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865466146 589438309 /nfs/dbraw/zinc/43/83/09/589438309.db2.gz QSNADRKIOULNJF-LURJTMIESA-N 1 2 240.694 1.380 20 0 BDADLO Fc1ccc(N2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000865486188 589440178 /nfs/dbraw/zinc/44/01/78/589440178.db2.gz LHAXBJMMPDMGDD-UHFFFAOYSA-N 1 2 247.277 1.654 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccc(F)cn2)nn1 ZINC000865494136 589441001 /nfs/dbraw/zinc/44/10/01/589441001.db2.gz RPJGJOXJEQEDPP-UHFFFAOYSA-N 1 2 249.293 1.512 20 0 BDADLO CCCCc1cc(NCC[S@@](C)=O)nc[nH+]1 ZINC000865541683 589444905 /nfs/dbraw/zinc/44/49/05/589444905.db2.gz OGDWVWACSJIOKK-MRXNPFEDSA-N 1 2 241.360 1.610 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)NC1CCC1 ZINC000865569098 589447643 /nfs/dbraw/zinc/44/76/43/589447643.db2.gz FNOJQHUZOAGDHZ-UHFFFAOYSA-N 1 2 247.273 1.685 20 0 BDADLO C[C@H](NCc1cn(C2CC2)c[nH+]1)c1csnn1 ZINC000865604711 589450571 /nfs/dbraw/zinc/45/05/71/589450571.db2.gz WAEAMXGCJHBCPC-QMMMGPOBSA-N 1 2 249.343 1.920 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865794773 589462173 /nfs/dbraw/zinc/46/21/73/589462173.db2.gz XQVFDSMXUBOLQP-ZMLRMANQSA-N 1 2 236.315 1.749 20 0 BDADLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc[nH]n2)n1 ZINC000865809515 589462543 /nfs/dbraw/zinc/46/25/43/589462543.db2.gz VVKVRMJXZKZHAA-UHFFFAOYSA-N 1 2 241.245 1.371 20 0 BDADLO CCCCc1cc(NCc2cnnn2C)nc[nH+]1 ZINC000865810998 589462983 /nfs/dbraw/zinc/46/29/83/589462983.db2.gz YBCGYRDNDWCPTJ-UHFFFAOYSA-N 1 2 246.318 1.560 20 0 BDADLO Cn1cc[nH+]c1CNc1ccn(CCF)n1 ZINC000865836995 589464185 /nfs/dbraw/zinc/46/41/85/589464185.db2.gz AITSDDSWCXFBCK-UHFFFAOYSA-N 1 2 223.255 1.198 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H](C)c2ccnn2C)nn1 ZINC000865839269 589464505 /nfs/dbraw/zinc/46/45/05/589464505.db2.gz ULBCCTYQAVMBFO-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CCC1(CNc2ccc([C@H](C)O)c[nH+]2)COC1 ZINC000865859020 589465670 /nfs/dbraw/zinc/46/56/70/589465670.db2.gz INQZGZWESBBNPL-JTQLQIEISA-N 1 2 236.315 1.973 20 0 BDADLO O[C@H](CC[NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000865874311 589466851 /nfs/dbraw/zinc/46/68/51/589466851.db2.gz BHSUVHRWIUPHQM-GFCCVEGCSA-N 1 2 223.320 1.441 20 0 BDADLO Clc1cc2c(nc[nH+]c2N[C@@H]2CC23CC3)[nH]1 ZINC000865889311 589467443 /nfs/dbraw/zinc/46/74/43/589467443.db2.gz JEVNQIHYMVJAGC-SSDOTTSWSA-N 1 2 234.690 1.998 20 0 BDADLO Nc1nc(N[C@@H]2CC[C@H]2O)nc(C2CCCC2)[nH+]1 ZINC000865890660 589467452 /nfs/dbraw/zinc/46/74/52/589467452.db2.gz YLFNHABYWMKHHO-RKDXNWHRSA-N 1 2 249.318 1.047 20 0 BDADLO Nc1nc(N[C@@H]2CC[C@H]2O)[nH+]c(C2CCCC2)n1 ZINC000865890660 589467453 /nfs/dbraw/zinc/46/74/53/589467453.db2.gz YLFNHABYWMKHHO-RKDXNWHRSA-N 1 2 249.318 1.047 20 0 BDADLO COCC1CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000865913346 589468286 /nfs/dbraw/zinc/46/82/86/589468286.db2.gz JPFCZNMOJZWJJN-UHFFFAOYSA-N 1 2 221.304 1.683 20 0 BDADLO CCn1nccc1CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865958190 589470255 /nfs/dbraw/zinc/47/02/55/589470255.db2.gz AUYNOFOZTMNBDU-SNVBAGLBSA-N 1 2 246.314 1.963 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1noc(C)n1 ZINC000866059816 589474388 /nfs/dbraw/zinc/47/43/88/589474388.db2.gz QEDDMTARTKVHDJ-ZETCQYMHSA-N 1 2 249.274 1.085 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccnc(F)c1 ZINC000866089764 589475308 /nfs/dbraw/zinc/47/53/08/589475308.db2.gz JDFPATGMWDFOAM-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO Cc1nc(N2CCCN(C=O)CC2)c(C)c(C)[nH+]1 ZINC000866128386 589477703 /nfs/dbraw/zinc/47/77/03/589477703.db2.gz HETPRMSHBVKRRU-UHFFFAOYSA-N 1 2 248.330 1.070 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1nnnn1C1CC1 ZINC000866153445 589478281 /nfs/dbraw/zinc/47/82/81/589478281.db2.gz PJNBFKCINWWLJR-QMMMGPOBSA-N 1 2 230.275 1.576 20 0 BDADLO COC(=O)[C@]12C[C@H]1C[C@H](Nc1cc(C)[nH+]cn1)C2 ZINC000866170014 589478932 /nfs/dbraw/zinc/47/89/32/589478932.db2.gz CMPPSBYURSLPBZ-NRUUGDAUSA-N 1 2 247.298 1.539 20 0 BDADLO Cc1cc(N2C[C@H](O)CC(C)(C)C2)nc[nH+]1 ZINC000866225665 589481609 /nfs/dbraw/zinc/48/16/09/589481609.db2.gz BFYNULRJECICOD-SNVBAGLBSA-N 1 2 221.304 1.382 20 0 BDADLO CC/C=C(\F)C(=O)NCc1[nH]c[nH+]c1C ZINC000866295978 589484514 /nfs/dbraw/zinc/48/45/14/589484514.db2.gz GZEAIKCGPKYDQB-YWEYNIOJSA-N 1 2 211.240 1.598 20 0 BDADLO CC/C=C(/F)C(=O)NCc1[nH]c[nH+]c1C ZINC000866295976 589484521 /nfs/dbraw/zinc/48/45/21/589484521.db2.gz GZEAIKCGPKYDQB-XBXARRHUSA-N 1 2 211.240 1.598 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(F)cc1C ZINC000866297596 589484532 /nfs/dbraw/zinc/48/45/32/589484532.db2.gz XZJRLIOBMTUANV-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCCc3ncccc32)n1 ZINC000866356505 589487988 /nfs/dbraw/zinc/48/79/88/589487988.db2.gz MGHPEIHEPOQUPP-ZDUSSCGKSA-N 1 2 243.314 1.377 20 0 BDADLO COC/C=C/C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866421735 589492201 /nfs/dbraw/zinc/49/22/01/589492201.db2.gz YCYVPNKRDYACET-NSCUHMNNSA-N 1 2 249.314 1.318 20 0 BDADLO COC/C=C/C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866421735 589492203 /nfs/dbraw/zinc/49/22/03/589492203.db2.gz YCYVPNKRDYACET-NSCUHMNNSA-N 1 2 249.314 1.318 20 0 BDADLO CCCOC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867712404 589531439 /nfs/dbraw/zinc/53/14/39/589531439.db2.gz AYBOKJOJKMOCAR-JTQLQIEISA-N 1 2 232.299 1.557 20 0 BDADLO CCCOC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867712404 589531440 /nfs/dbraw/zinc/53/14/40/589531440.db2.gz AYBOKJOJKMOCAR-JTQLQIEISA-N 1 2 232.299 1.557 20 0 BDADLO CCN(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712909 589531752 /nfs/dbraw/zinc/53/17/52/589531752.db2.gz JOPFDCYEVDCFCL-SNVBAGLBSA-N 1 2 231.315 1.082 20 0 BDADLO CCN(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712909 589531753 /nfs/dbraw/zinc/53/17/53/589531753.db2.gz JOPFDCYEVDCFCL-SNVBAGLBSA-N 1 2 231.315 1.082 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCOC12CCCC2 ZINC000890409111 589531785 /nfs/dbraw/zinc/53/17/85/589531785.db2.gz DNJKCVVVDADGHR-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867710886 589531847 /nfs/dbraw/zinc/53/18/47/589531847.db2.gz KIYXWFXWJJJRHF-LLVKDONJSA-N 1 2 245.342 1.472 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867710886 589531848 /nfs/dbraw/zinc/53/18/48/589531848.db2.gz KIYXWFXWJJJRHF-LLVKDONJSA-N 1 2 245.342 1.472 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000868412616 589557174 /nfs/dbraw/zinc/55/71/74/589557174.db2.gz BJWWMMNCLXSYLP-ZWNOBZJWSA-N 1 2 233.315 1.617 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000868412613 589557351 /nfs/dbraw/zinc/55/73/51/589557351.db2.gz BJWWMMNCLXSYLP-GWCFXTLKSA-N 1 2 233.315 1.617 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000868413388 589557523 /nfs/dbraw/zinc/55/75/23/589557523.db2.gz SHIFDDURZFYXBW-KLHWPWHYSA-N 1 2 233.315 1.328 20 0 BDADLO CCN(CC(C)(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868490827 589560725 /nfs/dbraw/zinc/56/07/25/589560725.db2.gz JHQTYXMUHIHXIQ-SNVBAGLBSA-N 1 2 239.319 1.338 20 0 BDADLO Cc1nocc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868620598 589568410 /nfs/dbraw/zinc/56/84/10/589568410.db2.gz CFSRKCVUHUPKIO-VIFPVBQESA-N 1 2 232.243 1.054 20 0 BDADLO CC/C=C(/F)C(=O)NCc1[nH+]ccn1CC ZINC000868662037 589571259 /nfs/dbraw/zinc/57/12/59/589571259.db2.gz IHYODXJVDFKOSJ-WEVVVXLNSA-N 1 2 225.267 1.783 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\COC ZINC000868678929 589572480 /nfs/dbraw/zinc/57/24/80/589572480.db2.gz OTBHIZRNDZBHPS-WWQCOOJYSA-N 1 2 237.303 1.283 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCC=CO1 ZINC000868677110 589572587 /nfs/dbraw/zinc/57/25/87/589572587.db2.gz GWSNFWPOANQGBD-GHMZBOCLSA-N 1 2 249.314 1.773 20 0 BDADLO Cc1cnc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)o1 ZINC000868732503 589575067 /nfs/dbraw/zinc/57/50/67/589575067.db2.gz RCNFRSDXFCOCRO-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO COC/C=C/C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000868741786 589575202 /nfs/dbraw/zinc/57/52/02/589575202.db2.gz TULZLQYSQOPAIK-HIHHVFROSA-N 1 2 235.287 1.208 20 0 BDADLO COC/C=C/C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000868741785 589575469 /nfs/dbraw/zinc/57/54/69/589575469.db2.gz TULZLQYSQOPAIK-FCVPOFOPSA-N 1 2 235.287 1.208 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](C2CCC2)C1 ZINC000868894074 589581601 /nfs/dbraw/zinc/58/16/01/589581601.db2.gz NEGIHWOXABAOGQ-PWSUYJOCSA-N 1 2 249.314 1.092 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000868964107 589583708 /nfs/dbraw/zinc/58/37/08/589583708.db2.gz VGCGLSWAEARMIH-KKZNHRDASA-N 1 2 237.303 1.090 20 0 BDADLO CONC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104455 589588914 /nfs/dbraw/zinc/58/89/14/589588914.db2.gz ILALRKFLTNMYQX-LLVKDONJSA-N 1 2 235.287 1.034 20 0 BDADLO CONC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104455 589588916 /nfs/dbraw/zinc/58/89/16/589588916.db2.gz ILALRKFLTNMYQX-LLVKDONJSA-N 1 2 235.287 1.034 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CCSC1 ZINC000869595353 589615075 /nfs/dbraw/zinc/61/50/75/589615075.db2.gz FAOIDWCBEWEKEN-SECBINFHSA-N 1 2 239.344 1.212 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(c2ccccc2)C1 ZINC000869810153 589631822 /nfs/dbraw/zinc/63/18/22/589631822.db2.gz DYTWFJZTVLCAKM-UHFFFAOYSA-N 1 2 241.294 1.578 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC12CCC2 ZINC000871630043 589779401 /nfs/dbraw/zinc/77/94/01/589779401.db2.gz XPBDVOCNTQYGGB-GHMZBOCLSA-N 1 2 248.330 1.513 20 0 BDADLO CC[C@H](Sc1nc(N)cc(C)[nH+]1)C(C)=O ZINC000871640091 589780549 /nfs/dbraw/zinc/78/05/49/589780549.db2.gz JCVOCBIAQHTFKN-QMMMGPOBSA-N 1 2 225.317 1.827 20 0 BDADLO CO[C@H]1C[C@@H](CO[NH+]=C(N)Cc2cccnc2)C1 ZINC000871738006 589802048 /nfs/dbraw/zinc/80/20/48/589802048.db2.gz SESPLULQXPVDSU-TXEJJXNPSA-N 1 2 249.314 1.548 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)COC2CCC2)cn1 ZINC000871778600 589813535 /nfs/dbraw/zinc/81/35/35/589813535.db2.gz PJPGWKGWCVXIPQ-UHFFFAOYSA-N 1 2 249.314 1.958 20 0 BDADLO CC1(CO[NH+]=C(N)COC2CCC2)COC1 ZINC000871776069 589813779 /nfs/dbraw/zinc/81/37/79/589813779.db2.gz QYPXUAHJGSXITP-UHFFFAOYSA-N 1 2 228.292 1.090 20 0 BDADLO NC(COC1CCC1)=[NH+]OC[C@H]1CCCO1 ZINC000871778296 589814058 /nfs/dbraw/zinc/81/40/58/589814058.db2.gz BHTREAOSRQMPQD-SNVBAGLBSA-N 1 2 228.292 1.233 20 0 BDADLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778631 589814253 /nfs/dbraw/zinc/81/42/53/589814253.db2.gz QTHMPWZHLVWROJ-UWVGGRQHSA-N 1 2 242.319 1.479 20 0 BDADLO NC(COC1CCC1)=[NH+]OC[C@H]1CCOC1 ZINC000871775562 589814381 /nfs/dbraw/zinc/81/43/81/589814381.db2.gz MLADEEIZDTZAKG-VIFPVBQESA-N 1 2 228.292 1.090 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000871927678 589832966 /nfs/dbraw/zinc/83/29/66/589832966.db2.gz OJSQUWGMZGLCON-JGVFFNPUSA-N 1 2 235.291 1.523 20 0 BDADLO Cc1nonc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000872136330 589879492 /nfs/dbraw/zinc/87/94/92/589879492.db2.gz MNCYSVDHULPVNQ-JTQLQIEISA-N 1 2 247.302 1.279 20 0 BDADLO CC(C)c1nnc(NCCc2cn(C)c[nH+]2)o1 ZINC000872568998 589952886 /nfs/dbraw/zinc/95/28/86/589952886.db2.gz WSTRNCVOHAECMY-UHFFFAOYSA-N 1 2 235.291 1.581 20 0 BDADLO COC[C@H]1CC[N@@H+]1CN1CCC2(CCC2)C1=O ZINC000872615404 589956918 /nfs/dbraw/zinc/95/69/18/589956918.db2.gz ZPOJQLSNWRZKMJ-LLVKDONJSA-N 1 2 238.331 1.067 20 0 BDADLO COC[C@H]1CC[N@H+]1CN1CCC2(CCC2)C1=O ZINC000872615404 589956919 /nfs/dbraw/zinc/95/69/19/589956919.db2.gz ZPOJQLSNWRZKMJ-LLVKDONJSA-N 1 2 238.331 1.067 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cc(C)on2)[nH+]1 ZINC000873841985 590074392 /nfs/dbraw/zinc/07/43/92/590074392.db2.gz KLRPZJWMYMMVRH-UHFFFAOYSA-N 1 2 234.259 1.450 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1CCC1 ZINC000874698390 590124450 /nfs/dbraw/zinc/12/44/50/590124450.db2.gz CHYRAIYKFVYOJP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1CCC1 ZINC000874698390 590124451 /nfs/dbraw/zinc/12/44/51/590124451.db2.gz CHYRAIYKFVYOJP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CCC2 ZINC000874778898 590130757 /nfs/dbraw/zinc/13/07/57/590130757.db2.gz YSFDTOQDSXFFOY-CKYFFXLPSA-N 1 2 245.326 1.582 20 0 BDADLO CC1(NC(=O)CCc2c[nH+]c[nH]2)CC(F)(F)C1 ZINC000874853230 590147365 /nfs/dbraw/zinc/14/73/65/590147365.db2.gz SIKUULGOWUKXSB-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO CC1(NC(=O)CCc2c[nH]c[nH+]2)CC(F)(F)C1 ZINC000874853230 590147366 /nfs/dbraw/zinc/14/73/66/590147366.db2.gz SIKUULGOWUKXSB-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC2(CC2)C1 ZINC000888693872 590184306 /nfs/dbraw/zinc/18/43/06/590184306.db2.gz KUPYGRYUJFGPFM-SNVBAGLBSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(N[C@H]1CC12CCC2)N[C@H]1Cc2c[nH+]cn2C1 ZINC000876421674 590198179 /nfs/dbraw/zinc/19/81/79/590198179.db2.gz VRTPZQZGFAEMKE-ONGXEEELSA-N 1 2 246.314 1.050 20 0 BDADLO COc1ccccc1C[N@H+](C)[C@@H]1CCOC1=O ZINC000126030986 590215644 /nfs/dbraw/zinc/21/56/44/590215644.db2.gz MJTJVUDZHQZANK-LLVKDONJSA-N 1 2 235.283 1.443 20 0 BDADLO COc1ccccc1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000126030986 590215646 /nfs/dbraw/zinc/21/56/46/590215646.db2.gz MJTJVUDZHQZANK-LLVKDONJSA-N 1 2 235.283 1.443 20 0 BDADLO CC1(C[N@@H+]2CCn3cnnc3C2)CCCC1 ZINC000876708250 590232938 /nfs/dbraw/zinc/23/29/38/590232938.db2.gz JMTPRCKRKXWKLQ-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CC1(C[N@H+]2CCn3cnnc3C2)CCCC1 ZINC000876708250 590232940 /nfs/dbraw/zinc/23/29/40/590232940.db2.gz JMTPRCKRKXWKLQ-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CO[C@@H](C[NH2+]Cc1ncc(C)o1)C(F)(F)F ZINC000877026297 590271075 /nfs/dbraw/zinc/27/10/75/590271075.db2.gz BWYAUIPPGYVJFD-ZETCQYMHSA-N 1 2 238.209 1.650 20 0 BDADLO C[C@H]([NH3+])CN(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000877105315 590284617 /nfs/dbraw/zinc/28/46/17/590284617.db2.gz IXVCKKOQQGLAER-LURJTMIESA-N 1 2 244.241 1.090 20 0 BDADLO CC1(C[N@@H+]2CCn3ncnc3C2)CCCC1 ZINC000877403529 590323897 /nfs/dbraw/zinc/32/38/97/590323897.db2.gz RSTWGTACESWERO-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CC1(C[N@H+]2CCn3ncnc3C2)CCCC1 ZINC000877403529 590323900 /nfs/dbraw/zinc/32/39/00/590323900.db2.gz RSTWGTACESWERO-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000877476518 590336346 /nfs/dbraw/zinc/33/63/46/590336346.db2.gz GLGFHGQOPWPQJG-MNOVXSKESA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000877476922 590336425 /nfs/dbraw/zinc/33/64/25/590336425.db2.gz QYVKLBKFWMEQSU-ACZMJKKPSA-N 1 2 207.220 1.181 20 0 BDADLO COC1(C)C[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000877534140 590350142 /nfs/dbraw/zinc/35/01/42/590350142.db2.gz ZBFWGBRESAONAR-SSDOTTSWSA-N 1 2 224.131 1.901 20 0 BDADLO CCONC(=O)C[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000877613887 590374022 /nfs/dbraw/zinc/37/40/22/590374022.db2.gz RYXFVXLVIQJSEQ-VHSXEESVSA-N 1 2 228.336 1.468 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000877735390 590403523 /nfs/dbraw/zinc/40/35/23/590403523.db2.gz SLBWRFIRDXLTLD-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccsc2Cl)C[C@@H]1O ZINC000877748804 590413468 /nfs/dbraw/zinc/41/34/68/590413468.db2.gz AZVONUSVMOBNFX-BDAKNGLRSA-N 1 2 247.747 1.329 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C[C@@H]1O ZINC000877748804 590413470 /nfs/dbraw/zinc/41/34/70/590413470.db2.gz AZVONUSVMOBNFX-BDAKNGLRSA-N 1 2 247.747 1.329 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000877920898 590447736 /nfs/dbraw/zinc/44/77/36/590447736.db2.gz ATQODZRPJOHVRT-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000877920898 590447738 /nfs/dbraw/zinc/44/77/38/590447738.db2.gz ATQODZRPJOHVRT-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000877934592 590451202 /nfs/dbraw/zinc/45/12/02/590451202.db2.gz DLSKVMPYPVPPLQ-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000877934592 590451204 /nfs/dbraw/zinc/45/12/04/590451204.db2.gz DLSKVMPYPVPPLQ-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO O[C@H]1CCCN(Cc2[nH+]ccn2CC(F)F)C1 ZINC000877934592 590451205 /nfs/dbraw/zinc/45/12/05/590451205.db2.gz DLSKVMPYPVPPLQ-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1c(C)noc1C ZINC000877955934 590457615 /nfs/dbraw/zinc/45/76/15/590457615.db2.gz RHOPVRUYQVCRNS-UHFFFAOYSA-N 1 2 236.319 1.526 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1c(C)noc1C ZINC000877955934 590457616 /nfs/dbraw/zinc/45/76/16/590457616.db2.gz RHOPVRUYQVCRNS-UHFFFAOYSA-N 1 2 236.319 1.526 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)NC1=[NH+]CCS1 ZINC000877963763 590460370 /nfs/dbraw/zinc/46/03/70/590460370.db2.gz QVCDGWFGQCXSOU-IUCAKERBSA-N 1 2 224.329 1.642 20 0 BDADLO CC1(C)CC[C@@H](C[NH+]2CCS(=O)CC2)OC1 ZINC000878095048 590491971 /nfs/dbraw/zinc/49/19/71/590491971.db2.gz QBPJGEKJIQWWFK-NSHDSACASA-N 1 2 245.388 1.256 20 0 BDADLO CNC(=O)C1([NH2+]Cc2nocc2C)CCCC1 ZINC000878248744 590528103 /nfs/dbraw/zinc/52/81/03/590528103.db2.gz FETGBCJTAJDSLO-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000878291964 590535298 /nfs/dbraw/zinc/53/52/98/590535298.db2.gz SAARVIPNWSTBSI-LBPRGKRZSA-N 1 2 223.320 1.175 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000878291964 590535301 /nfs/dbraw/zinc/53/53/01/590535301.db2.gz SAARVIPNWSTBSI-LBPRGKRZSA-N 1 2 223.320 1.175 20 0 BDADLO CC[N@@H+]1CCN(C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878298838 590537213 /nfs/dbraw/zinc/53/72/13/590537213.db2.gz NGTFBGNCNAKQCL-RWMBFGLXSA-N 1 2 226.364 1.437 20 0 BDADLO CC[N@H+]1CCN(C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878298838 590537215 /nfs/dbraw/zinc/53/72/15/590537215.db2.gz NGTFBGNCNAKQCL-RWMBFGLXSA-N 1 2 226.364 1.437 20 0 BDADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000878320577 590545245 /nfs/dbraw/zinc/54/52/45/590545245.db2.gz HIULRXNTADZDAS-BDAKNGLRSA-N 1 2 237.290 1.238 20 0 BDADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000878320577 590545246 /nfs/dbraw/zinc/54/52/46/590545246.db2.gz HIULRXNTADZDAS-BDAKNGLRSA-N 1 2 237.290 1.238 20 0 BDADLO COC(=O)[C@]1([NH2+]C[C@@H](C)C(C)(C)C)CCOC1 ZINC000878333658 590547031 /nfs/dbraw/zinc/54/70/31/590547031.db2.gz AHAXEBPXBPUVBN-MFKMUULPSA-N 1 2 243.347 1.590 20 0 BDADLO COC(=O)[C@](C)([NH2+]CC[C@H](O)C(C)C)C1CC1 ZINC000878331237 590548702 /nfs/dbraw/zinc/54/87/02/590548702.db2.gz STCUBWMNLPFDGD-WCQYABFASA-N 1 2 243.347 1.325 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000878406384 590561457 /nfs/dbraw/zinc/56/14/57/590561457.db2.gz TWKDVEYVGYNAEL-VFZGTOFNSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1conc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000878406384 590561459 /nfs/dbraw/zinc/56/14/59/590561459.db2.gz TWKDVEYVGYNAEL-VFZGTOFNSA-N 1 2 230.333 1.182 20 0 BDADLO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878453610 590569825 /nfs/dbraw/zinc/56/98/25/590569825.db2.gz VZIZSCDMRIYFJF-ZJUUUORDSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878453610 590569827 /nfs/dbraw/zinc/56/98/27/590569827.db2.gz VZIZSCDMRIYFJF-ZJUUUORDSA-N 1 2 246.376 1.361 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC000878475797 590574004 /nfs/dbraw/zinc/57/40/04/590574004.db2.gz CDHLZGVONMIQHF-BBBLOLIVSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC000878475797 590574006 /nfs/dbraw/zinc/57/40/06/590574006.db2.gz CDHLZGVONMIQHF-BBBLOLIVSA-N 1 2 235.274 1.113 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000878477115 590574749 /nfs/dbraw/zinc/57/47/49/590574749.db2.gz GSSXXRZGOZPVGU-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000878477115 590574750 /nfs/dbraw/zinc/57/47/50/590574750.db2.gz GSSXXRZGOZPVGU-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO CCC(F)(F)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000878479462 590575227 /nfs/dbraw/zinc/57/52/27/590575227.db2.gz GVGPTVSZSJFANA-UHFFFAOYSA-N 1 2 248.273 1.606 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878545621 590589777 /nfs/dbraw/zinc/58/97/77/590589777.db2.gz BRBMRKQCCKZIJL-WHOHXGKFSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878545621 590589778 /nfs/dbraw/zinc/58/97/78/590589778.db2.gz BRBMRKQCCKZIJL-WHOHXGKFSA-N 1 2 241.331 1.437 20 0 BDADLO CC1(C)CO[C@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000878561779 590591942 /nfs/dbraw/zinc/59/19/42/590591942.db2.gz QOYUHQNUNMZKNG-VHSXEESVSA-N 1 2 249.301 1.767 20 0 BDADLO CC1(C)CO[C@H](C[N@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000878561779 590591943 /nfs/dbraw/zinc/59/19/43/590591943.db2.gz QOYUHQNUNMZKNG-VHSXEESVSA-N 1 2 249.301 1.767 20 0 BDADLO C[N@H+](CCCO)Cc1nc2c(o1)CCCC2 ZINC000878556685 590592174 /nfs/dbraw/zinc/59/21/74/590592174.db2.gz UIIQKBWVDZDZAX-UHFFFAOYSA-N 1 2 224.304 1.368 20 0 BDADLO C[N@@H+](CCCO)Cc1nc2c(o1)CCCC2 ZINC000878556685 590592175 /nfs/dbraw/zinc/59/21/75/590592175.db2.gz UIIQKBWVDZDZAX-UHFFFAOYSA-N 1 2 224.304 1.368 20 0 BDADLO C[C@]1([NH2+]C[C@H]2CCCC(C)(C)O2)CCOC1=O ZINC000878632315 590598180 /nfs/dbraw/zinc/59/81/80/590598180.db2.gz OXUVIAJIJXSTNJ-MFKMUULPSA-N 1 2 241.331 1.629 20 0 BDADLO CC1(C)CC[C@@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878673777 590607231 /nfs/dbraw/zinc/60/72/31/590607231.db2.gz TWUCDUYDTACRAT-QMMMGPOBSA-N 1 2 232.349 1.019 20 0 BDADLO Cc1conc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000878727430 590617271 /nfs/dbraw/zinc/61/72/71/590617271.db2.gz XDDKPBBYCNBBHC-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1conc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000878727430 590617273 /nfs/dbraw/zinc/61/72/73/590617273.db2.gz XDDKPBBYCNBBHC-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](C/C=C/Cl)[C@@H](C)C(=O)N1C ZINC000878751306 590618486 /nfs/dbraw/zinc/61/84/86/590618486.db2.gz XGJHXSUUEHLIJN-LIPBTSLVSA-N 1 2 230.739 1.678 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](C/C=C/Cl)[C@@H](C)C(=O)N1C ZINC000878751306 590618487 /nfs/dbraw/zinc/61/84/87/590618487.db2.gz XGJHXSUUEHLIJN-LIPBTSLVSA-N 1 2 230.739 1.678 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1scnc1Cl ZINC000878761224 590619319 /nfs/dbraw/zinc/61/93/19/590619319.db2.gz JDUUVENZVLNDCI-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1scnc1Cl ZINC000878761224 590619321 /nfs/dbraw/zinc/61/93/21/590619321.db2.gz JDUUVENZVLNDCI-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO O=c1ccccn1CC[N@H+]1CCC=C(Cl)C1 ZINC000878791580 590623624 /nfs/dbraw/zinc/62/36/24/590623624.db2.gz QHUPIKIZOOEZAH-UHFFFAOYSA-N 1 2 238.718 1.677 20 0 BDADLO O=c1ccccn1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878791580 590623626 /nfs/dbraw/zinc/62/36/26/590623626.db2.gz QHUPIKIZOOEZAH-UHFFFAOYSA-N 1 2 238.718 1.677 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000878967187 590662298 /nfs/dbraw/zinc/66/22/98/590662298.db2.gz FWZNVFSQWYUKEB-JGVFFNPUSA-N 1 2 240.130 1.485 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000878967187 590662301 /nfs/dbraw/zinc/66/23/01/590662301.db2.gz FWZNVFSQWYUKEB-JGVFFNPUSA-N 1 2 240.130 1.485 20 0 BDADLO CC1=NO[C@H](CNC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000879069140 590691908 /nfs/dbraw/zinc/69/19/08/590691908.db2.gz LGMLACNCWDQHRS-NSHDSACASA-N 1 2 248.286 1.098 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2csnn2)C1 ZINC000879325896 590746796 /nfs/dbraw/zinc/74/67/96/590746796.db2.gz PALRVADSDRDTFD-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2csnn2)C1 ZINC000879325896 590746800 /nfs/dbraw/zinc/74/68/00/590746800.db2.gz PALRVADSDRDTFD-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2C/C=C\Cl ZINC000879326986 590747249 /nfs/dbraw/zinc/74/72/49/590747249.db2.gz ZXJHUPUDPDBAJW-UQCOIBPSSA-N 1 2 229.707 1.909 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2C/C=C\Cl ZINC000879326986 590747251 /nfs/dbraw/zinc/74/72/51/590747251.db2.gz ZXJHUPUDPDBAJW-UQCOIBPSSA-N 1 2 229.707 1.909 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000879554160 590799760 /nfs/dbraw/zinc/79/97/60/590799760.db2.gz LLJKLMSMOMEAFY-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)n[nH]1 ZINC000879565148 590804070 /nfs/dbraw/zinc/80/40/70/590804070.db2.gz LEWYFWBPYPNCQB-ZJUUUORDSA-N 1 2 238.360 1.298 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)n[nH]1 ZINC000879565148 590804072 /nfs/dbraw/zinc/80/40/72/590804072.db2.gz LEWYFWBPYPNCQB-ZJUUUORDSA-N 1 2 238.360 1.298 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879618185 590832597 /nfs/dbraw/zinc/83/25/97/590832597.db2.gz SOJHQRBYGHGCDT-LLVKDONJSA-N 1 2 243.347 1.423 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879618185 590832599 /nfs/dbraw/zinc/83/25/99/590832599.db2.gz SOJHQRBYGHGCDT-LLVKDONJSA-N 1 2 243.347 1.423 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621435 590834538 /nfs/dbraw/zinc/83/45/38/590834538.db2.gz CIAKWMSKJRDJEC-NSHDSACASA-N 1 2 243.347 1.278 20 0 BDADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621435 590834542 /nfs/dbraw/zinc/83/45/42/590834542.db2.gz CIAKWMSKJRDJEC-NSHDSACASA-N 1 2 243.347 1.278 20 0 BDADLO FC[C@@H]([NH2+]CC1OCCO1)c1ccc(F)cc1 ZINC000879660402 590845091 /nfs/dbraw/zinc/84/50/91/590845091.db2.gz PDQNDTOOBGCLQD-LLVKDONJSA-N 1 2 243.253 1.799 20 0 BDADLO CCCNc1cc(N2CCO[C@@H](C)C2)nc[nH+]1 ZINC000128033950 590881427 /nfs/dbraw/zinc/88/14/27/590881427.db2.gz QHFGSUWDRNAXHI-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N2CCO[C@@H](C)C2)[nH+]cn1 ZINC000128033950 590881428 /nfs/dbraw/zinc/88/14/28/590881428.db2.gz QHFGSUWDRNAXHI-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@H+](C/C=C\Cl)C[C@@H]2C1 ZINC000879931511 590890474 /nfs/dbraw/zinc/89/04/74/590890474.db2.gz SSTKQSUWZINAJR-PSMNYDHOSA-N 1 2 249.763 1.105 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@@H+](C/C=C\Cl)C[C@@H]2C1 ZINC000879931511 590890473 /nfs/dbraw/zinc/89/04/73/590890473.db2.gz SSTKQSUWZINAJR-PSMNYDHOSA-N 1 2 249.763 1.105 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](O)CC ZINC000879980282 590902939 /nfs/dbraw/zinc/90/29/39/590902939.db2.gz HUUCBLPOEXUQKJ-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879982663 590903418 /nfs/dbraw/zinc/90/34/18/590903418.db2.gz JYNMDVYUULCDAG-NEPJUHHUSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1coc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000880218759 590960543 /nfs/dbraw/zinc/96/05/43/590960543.db2.gz PQTFGOIADXTUQU-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO Cn1cccc1C[N@H+](C)Cn1cc(Cl)cn1 ZINC000128289383 590963768 /nfs/dbraw/zinc/96/37/68/590963768.db2.gz KIBYZOQERMLQNY-UHFFFAOYSA-N 1 2 238.722 1.965 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cn1cc(Cl)cn1 ZINC000128289383 590963773 /nfs/dbraw/zinc/96/37/73/590963773.db2.gz KIBYZOQERMLQNY-UHFFFAOYSA-N 1 2 238.722 1.965 20 0 BDADLO FC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000880238780 590970979 /nfs/dbraw/zinc/97/09/79/590970979.db2.gz XQQGZXULWDFADU-SECBINFHSA-N 1 2 212.272 1.029 20 0 BDADLO FC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000880238780 590970982 /nfs/dbraw/zinc/97/09/82/590970982.db2.gz XQQGZXULWDFADU-SECBINFHSA-N 1 2 212.272 1.029 20 0 BDADLO FC1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000880238600 590971874 /nfs/dbraw/zinc/97/18/74/590971874.db2.gz IIVWZDKVDPREIW-UHFFFAOYSA-N 1 2 239.294 1.956 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH+]1CCC(F)CC1 ZINC000880241503 590975833 /nfs/dbraw/zinc/97/58/33/590975833.db2.gz FTSUYEIKORPWNQ-SECBINFHSA-N 1 2 217.284 1.762 20 0 BDADLO O=C(C[NH+]1CCC(F)CC1)Nc1ccon1 ZINC000880243798 590976641 /nfs/dbraw/zinc/97/66/41/590976641.db2.gz VJLICZNXAWADMW-UHFFFAOYSA-N 1 2 227.239 1.047 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880290841 590985494 /nfs/dbraw/zinc/98/54/94/590985494.db2.gz FIXVPKZUZWXBBC-SNVBAGLBSA-N 1 2 241.314 1.265 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC[C@H](CF)C1 ZINC000880290841 590985495 /nfs/dbraw/zinc/98/54/95/590985495.db2.gz FIXVPKZUZWXBBC-SNVBAGLBSA-N 1 2 241.314 1.265 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CF)C2)on1 ZINC000880296080 590990571 /nfs/dbraw/zinc/99/05/71/590990571.db2.gz UEGHJRIIBPOCFP-SECBINFHSA-N 1 2 241.266 1.213 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](CF)C2)on1 ZINC000880296080 590990575 /nfs/dbraw/zinc/99/05/75/590990575.db2.gz UEGHJRIIBPOCFP-SECBINFHSA-N 1 2 241.266 1.213 20 0 BDADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ncnn1C ZINC000880378451 591017284 /nfs/dbraw/zinc/01/72/84/591017284.db2.gz ULKKPJMSSJMCEJ-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ncnn1C ZINC000880378451 591017287 /nfs/dbraw/zinc/01/72/87/591017287.db2.gz ULKKPJMSSJMCEJ-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2sccc2CC[N@H+]1Cc1nnnn1C ZINC000880378496 591017688 /nfs/dbraw/zinc/01/76/88/591017688.db2.gz VGVFKZUHZBQJPJ-QMMMGPOBSA-N 1 2 249.343 1.391 20 0 BDADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1nnnn1C ZINC000880378496 591017689 /nfs/dbraw/zinc/01/76/89/591017689.db2.gz VGVFKZUHZBQJPJ-QMMMGPOBSA-N 1 2 249.343 1.391 20 0 BDADLO CC(C)c1nc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)no1 ZINC000880440484 591043159 /nfs/dbraw/zinc/04/31/59/591043159.db2.gz DJIRJWHXZIDVLS-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@H+]2[C@@H](C)CC[C@H]2CO)no1 ZINC000880440484 591043162 /nfs/dbraw/zinc/04/31/62/591043162.db2.gz DJIRJWHXZIDVLS-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1nc(C(F)F)no1 ZINC000880443078 591044371 /nfs/dbraw/zinc/04/43/71/591044371.db2.gz DEEUOLIUCLVYSP-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1nc(C(F)F)no1 ZINC000880443078 591044377 /nfs/dbraw/zinc/04/43/77/591044377.db2.gz DEEUOLIUCLVYSP-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO CC[N@H+](Cc1cnon1)[C@H](CO)c1ccccc1 ZINC000880461362 591051097 /nfs/dbraw/zinc/05/10/97/591051097.db2.gz GLAPCJXLVDXBNK-CYBMUJFWSA-N 1 2 247.298 1.625 20 0 BDADLO CC[N@@H+](Cc1cnon1)[C@H](CO)c1ccccc1 ZINC000880461362 591051102 /nfs/dbraw/zinc/05/11/02/591051102.db2.gz GLAPCJXLVDXBNK-CYBMUJFWSA-N 1 2 247.298 1.625 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000880485483 591058725 /nfs/dbraw/zinc/05/87/25/591058725.db2.gz DCVNWXFLZBODKR-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000880485483 591058730 /nfs/dbraw/zinc/05/87/30/591058730.db2.gz DCVNWXFLZBODKR-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cn2ccccc2n1 ZINC000880486227 591060417 /nfs/dbraw/zinc/06/04/17/591060417.db2.gz PSLZVACFWKGWLM-GFCCVEGCSA-N 1 2 229.283 1.067 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cn2ccccc2n1 ZINC000880486227 591060421 /nfs/dbraw/zinc/06/04/21/591060421.db2.gz PSLZVACFWKGWLM-GFCCVEGCSA-N 1 2 229.283 1.067 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CC=C[C@H]2CO)c(C)[nH]1 ZINC000880491277 591068417 /nfs/dbraw/zinc/06/84/17/591068417.db2.gz WGCWAUPHYMAQOU-NSHDSACASA-N 1 2 234.299 1.047 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CC=C[C@H]2CO)c(C)[nH]1 ZINC000880491277 591068424 /nfs/dbraw/zinc/06/84/24/591068424.db2.gz WGCWAUPHYMAQOU-NSHDSACASA-N 1 2 234.299 1.047 20 0 BDADLO Cn1c[nH+]cc1Cn1cc([C@H]2CCCCO2)nn1 ZINC000881288958 591180861 /nfs/dbraw/zinc/18/08/61/591180861.db2.gz ABXQXNBBOUQIKX-GFCCVEGCSA-N 1 2 247.302 1.302 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC000881500690 591223204 /nfs/dbraw/zinc/22/32/04/591223204.db2.gz JGOHMOYTVYNYHZ-VXGBXAGGSA-N 1 2 233.315 1.917 20 0 BDADLO CC1(C)C[C@@]1(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000881543121 591236417 /nfs/dbraw/zinc/23/64/17/591236417.db2.gz HCSBBNVOQIJUST-ZDUSSCGKSA-N 1 2 235.331 1.895 20 0 BDADLO CC1(C)C[C@@]1(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000881543121 591236418 /nfs/dbraw/zinc/23/64/18/591236418.db2.gz HCSBBNVOQIJUST-ZDUSSCGKSA-N 1 2 235.331 1.895 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CC1(C)C ZINC000881544053 591236562 /nfs/dbraw/zinc/23/65/62/591236562.db2.gz SAPXMAYEBCGCAV-CYBMUJFWSA-N 1 2 235.331 1.515 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H](CF)C1 ZINC000881666704 591261562 /nfs/dbraw/zinc/26/15/62/591261562.db2.gz DEHJEUWZPFVQGQ-JTQLQIEISA-N 1 2 247.273 1.766 20 0 BDADLO Cc1[nH+]cnc(NCc2ccnn2C)c1C ZINC000881795564 591271853 /nfs/dbraw/zinc/27/18/53/591271853.db2.gz LPAWLRZPSZUSNN-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1[nH+]cnc(NCc2cc[nH]n2)c1C ZINC000881806499 591272166 /nfs/dbraw/zinc/27/21/66/591272166.db2.gz GQLFJEDYETZAOZ-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO CCCNc1cc(N2CCC[C@H](O)C2)nc[nH+]1 ZINC000129254918 591273209 /nfs/dbraw/zinc/27/32/09/591273209.db2.gz CRIKZAANZDBYTF-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CCCNc1cc(N2CCC[C@H](O)C2)[nH+]cn1 ZINC000129254918 591273210 /nfs/dbraw/zinc/27/32/10/591273210.db2.gz CRIKZAANZDBYTF-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO Cc1[nH+]cnc(NCC2(O)CCCC2)c1C ZINC000881837612 591273536 /nfs/dbraw/zinc/27/35/36/591273536.db2.gz DLBAHTYDQSBRAR-UHFFFAOYSA-N 1 2 221.304 1.810 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2CCCOC2)c1C ZINC000881832802 591273827 /nfs/dbraw/zinc/27/38/27/591273827.db2.gz KBUCPBAXMCGHJK-NSHDSACASA-N 1 2 221.304 1.932 20 0 BDADLO Cc1noc(CCNc2nc[nH+]c(C)c2C)n1 ZINC000881866974 591275597 /nfs/dbraw/zinc/27/55/97/591275597.db2.gz FZKBRERGHKWUDO-UHFFFAOYSA-N 1 2 233.275 1.439 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1nc[nH+]c(C)c1C ZINC000881977080 591284930 /nfs/dbraw/zinc/28/49/30/591284930.db2.gz JYZFKRYOWGULPA-GZMMTYOYSA-N 1 2 223.320 1.912 20 0 BDADLO CSC[C@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000882004079 591286577 /nfs/dbraw/zinc/28/65/77/591286577.db2.gz ZFYKIYLJGVMROA-LLVKDONJSA-N 1 2 241.360 1.619 20 0 BDADLO CS[C@@H](CO)[C@@H](C)Nc1nc[nH+]c(C)c1C ZINC000882004208 591286743 /nfs/dbraw/zinc/28/67/43/591286743.db2.gz AJCGEKFTUXAUGS-ZJUUUORDSA-N 1 2 241.360 1.618 20 0 BDADLO COC[C@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882005586 591287625 /nfs/dbraw/zinc/28/76/25/591287625.db2.gz OEORHOWXPWQTQM-NSHDSACASA-N 1 2 221.304 1.566 20 0 BDADLO C[C@](O)(CNc1cc[nH+]cc1F)c1ccco1 ZINC000882019511 591288317 /nfs/dbraw/zinc/28/83/17/591288317.db2.gz OJYGVEZGRPDDHN-LBPRGKRZSA-N 1 2 236.246 1.555 20 0 BDADLO Cc1[nH+]cnc(NCc2nnnn2C2CC2)c1C ZINC000882032251 591289415 /nfs/dbraw/zinc/28/94/15/591289415.db2.gz XTZLNQWOSHKKJK-UHFFFAOYSA-N 1 2 245.290 1.027 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)CC[S@](C)=O)c1C ZINC000882032567 591289821 /nfs/dbraw/zinc/28/98/21/591289821.db2.gz LLIJJFIEAYAGES-BCTVWOGZSA-N 1 2 241.360 1.662 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@H](O)C2CC2)c1C ZINC000882064492 591294020 /nfs/dbraw/zinc/29/40/20/591294020.db2.gz AKQLBAIEOHQMQQ-NSHDSACASA-N 1 2 221.304 1.301 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@H](C)[S@@](C)=O)c1C ZINC000882107479 591299104 /nfs/dbraw/zinc/29/91/04/591299104.db2.gz WLMJVDTUJVZEEV-VPTHRUTESA-N 1 2 241.360 1.662 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@@H]2CCC[C@H]2O)c1C ZINC000882133574 591303637 /nfs/dbraw/zinc/30/36/37/591303637.db2.gz VOCOXRRIGIYAQT-NWDGAFQWSA-N 1 2 235.331 1.691 20 0 BDADLO Cn1c[nH+]c(CSCCSCCO)c1 ZINC000882160538 591308937 /nfs/dbraw/zinc/30/89/37/591308937.db2.gz RKVPTEVUNZABDK-UHFFFAOYSA-N 1 2 232.374 1.379 20 0 BDADLO Cc1[nH+]cnc(NCCC2(C)OCCO2)c1C ZINC000882186925 591313434 /nfs/dbraw/zinc/31/34/34/591313434.db2.gz BWKJPDOMMYPHCV-UHFFFAOYSA-N 1 2 237.303 1.658 20 0 BDADLO Cc1[nH+]cnc(NCC2(CCO)CC2)c1C ZINC000882213906 591317103 /nfs/dbraw/zinc/31/71/03/591317103.db2.gz OJAZMSGLVVOCEI-UHFFFAOYSA-N 1 2 221.304 1.668 20 0 BDADLO CC[C@H](Nc1ncc(C=O)cn1)c1[nH]cc[nH+]1 ZINC000882229079 591317803 /nfs/dbraw/zinc/31/78/03/591317803.db2.gz ZIDWIZKCLQKZGY-VIFPVBQESA-N 1 2 231.259 1.575 20 0 BDADLO Cc1[nH+]cnc(N(C)CCCCO)c1C ZINC000882241526 591319914 /nfs/dbraw/zinc/31/99/14/591319914.db2.gz IKSUDBVSZNWBQN-UHFFFAOYSA-N 1 2 209.293 1.302 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](C)CCCO)c1C ZINC000882408177 591343856 /nfs/dbraw/zinc/34/38/56/591343856.db2.gz KNZDLQJIXGNOLX-VIFPVBQESA-N 1 2 223.320 1.914 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2CCCNC2=O)c1C ZINC000882445065 591350301 /nfs/dbraw/zinc/35/03/01/591350301.db2.gz BRRPWGCZJOHUFY-SNVBAGLBSA-N 1 2 234.303 1.032 20 0 BDADLO Cc1[nH+]cnc(NCc2cc(=O)cc[nH]2)c1C ZINC000882447369 591350761 /nfs/dbraw/zinc/35/07/61/591350761.db2.gz KBTMIKSYVPFFGP-UHFFFAOYSA-N 1 2 230.271 1.394 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000882491798 591370577 /nfs/dbraw/zinc/37/05/77/591370577.db2.gz MEMBKONVIMLWFV-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000882491798 591370581 /nfs/dbraw/zinc/37/05/81/591370581.db2.gz MEMBKONVIMLWFV-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491798 591370586 /nfs/dbraw/zinc/37/05/86/591370586.db2.gz MEMBKONVIMLWFV-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491798 591370590 /nfs/dbraw/zinc/37/05/90/591370590.db2.gz MEMBKONVIMLWFV-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO Cc1cc(NCCc2ccc(=O)[nH]c2)nc[nH+]1 ZINC000882537561 591388074 /nfs/dbraw/zinc/38/80/74/591388074.db2.gz MGYVIGIQHQNUKE-UHFFFAOYSA-N 1 2 230.271 1.540 20 0 BDADLO C[C@@H](Nc1ncc(C=O)cn1)c1[nH+]ccn1C ZINC000882625115 591402678 /nfs/dbraw/zinc/40/26/78/591402678.db2.gz AHCVSCCZKZNCEK-MRVPVSSYSA-N 1 2 231.259 1.196 20 0 BDADLO CCn1ncc(CNc2nc[nH+]c(C)c2C)n1 ZINC000882648201 591407030 /nfs/dbraw/zinc/40/70/30/591407030.db2.gz BMBDZUPTUVGFCJ-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000882682423 591411803 /nfs/dbraw/zinc/41/18/03/591411803.db2.gz YBUWCHSZNYPUBL-CDJGPZEFSA-N 1 2 234.274 1.478 20 0 BDADLO CCc1ccc(NC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC000882721546 591421635 /nfs/dbraw/zinc/42/16/35/591421635.db2.gz MEYIGYJUKFOMST-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO C[C@@H](O)c1ccc(N2CCOC(C)(C)C2)[nH+]c1 ZINC000213235172 591456413 /nfs/dbraw/zinc/45/64/13/591456413.db2.gz BPUVZHGKNADPQF-SNVBAGLBSA-N 1 2 236.315 1.750 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC(CO)CC2)[nH+]c1 ZINC000213225892 591456504 /nfs/dbraw/zinc/45/65/04/591456504.db2.gz QCVJKLCTZNMHRF-SNVBAGLBSA-N 1 2 236.315 1.344 20 0 BDADLO CO[C@@H]1COCC[C@@H]1N(C)c1cccc[nH+]1 ZINC000882941060 591479274 /nfs/dbraw/zinc/47/92/74/591479274.db2.gz HQPJNCFQYORSJX-WDEREUQCSA-N 1 2 222.288 1.322 20 0 BDADLO CCc1cc(N2CC=C[C@@H]2CO)nc(C)[nH+]1 ZINC000882976587 591489992 /nfs/dbraw/zinc/48/99/92/591489992.db2.gz HOHIIGPUSGEPFN-LLVKDONJSA-N 1 2 219.288 1.085 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cnc(C)o1 ZINC000882981199 591491274 /nfs/dbraw/zinc/49/12/74/591491274.db2.gz FIFAIRPVCCJKKT-ZCFIWIBFSA-N 1 2 213.237 1.016 20 0 BDADLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)c1ncccn1 ZINC000882990243 591498200 /nfs/dbraw/zinc/49/82/00/591498200.db2.gz CLXQQRWEWQLZLT-BDAKNGLRSA-N 1 2 236.275 1.215 20 0 BDADLO Cc1nc(NC2CCC3(COC3)CC2)nc(N)[nH+]1 ZINC000882994721 591499412 /nfs/dbraw/zinc/49/94/12/591499412.db2.gz QADYQNBTHFPNMQ-UHFFFAOYSA-N 1 2 249.318 1.133 20 0 BDADLO Cc1nc(N)nc(NC2CCC3(COC3)CC2)[nH+]1 ZINC000882994721 591499416 /nfs/dbraw/zinc/49/94/16/591499416.db2.gz QADYQNBTHFPNMQ-UHFFFAOYSA-N 1 2 249.318 1.133 20 0 BDADLO CC[N@@H+](Cc1ccccc1)Cn1ncn(C)c1=O ZINC000130706480 591503852 /nfs/dbraw/zinc/50/38/52/591503852.db2.gz APJNHDMQLYZCLN-UHFFFAOYSA-N 1 2 246.314 1.061 20 0 BDADLO CC[N@H+](Cc1ccccc1)Cn1ncn(C)c1=O ZINC000130706480 591503854 /nfs/dbraw/zinc/50/38/54/591503854.db2.gz APJNHDMQLYZCLN-UHFFFAOYSA-N 1 2 246.314 1.061 20 0 BDADLO C=C/C=C\CCn1cc[nH+]c1CN1CCOCC1 ZINC000883003443 591506573 /nfs/dbraw/zinc/50/65/73/591506573.db2.gz QCAYHVAHBIZADN-ARJAWSKDSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1ccc(C)c(OCCO[NH+]=C(N)CO)c1 ZINC000883009809 591509732 /nfs/dbraw/zinc/50/97/32/591509732.db2.gz URAJTQCFBKWOCF-UHFFFAOYSA-N 1 2 238.287 1.173 20 0 BDADLO Cc1cc(CO[NH+]=C(N)CO)c(C)s1 ZINC000883010260 591510453 /nfs/dbraw/zinc/51/04/53/591510453.db2.gz JILALVJUXJWIJS-UHFFFAOYSA-N 1 2 214.290 1.356 20 0 BDADLO CCCc1nc(CO[NH+]=C(N)CO)cs1 ZINC000883011289 591511341 /nfs/dbraw/zinc/51/13/41/591511341.db2.gz QGAQPUSJULBVKM-UHFFFAOYSA-N 1 2 229.305 1.086 20 0 BDADLO NC(CO)=[NH+]O[C@@H]1CCCc2ccccc21 ZINC000883011726 591511727 /nfs/dbraw/zinc/51/17/27/591511727.db2.gz HKYZRMYVKOKNLT-LLVKDONJSA-N 1 2 220.272 1.555 20 0 BDADLO COc1ccc(Cl)c(CO[NH+]=C(N)CO)c1 ZINC000883012368 591512588 /nfs/dbraw/zinc/51/25/88/591512588.db2.gz CWWUCRMSNLPSRW-UHFFFAOYSA-N 1 2 244.678 1.339 20 0 BDADLO NC(CO)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000883012721 591512617 /nfs/dbraw/zinc/51/26/17/591512617.db2.gz QEOURUHCOXCPLM-UHFFFAOYSA-N 1 2 249.192 1.091 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CO)c(Cl)c1 ZINC000883012389 591512948 /nfs/dbraw/zinc/51/29/48/591512948.db2.gz DNEJVBRVCLXYKV-UHFFFAOYSA-N 1 2 228.679 1.639 20 0 BDADLO COc1cc(Cl)ccc1CO[NH+]=C(N)CO ZINC000883012416 591513361 /nfs/dbraw/zinc/51/33/61/591513361.db2.gz FKKGFMKGEREIOZ-UHFFFAOYSA-N 1 2 244.678 1.339 20 0 BDADLO CC[C@H](CO[NH+]=C(N)CO)CC(F)F ZINC000883013362 591514790 /nfs/dbraw/zinc/51/47/90/591514790.db2.gz LYJOUYHURWICAO-LURJTMIESA-N 1 2 210.224 1.159 20 0 BDADLO CC(C)c1c[nH]c(CNCc2ccon2)[nH+]1 ZINC000883027552 591518896 /nfs/dbraw/zinc/51/88/96/591518896.db2.gz GBBBRIDDDJIJQL-UHFFFAOYSA-N 1 2 220.276 1.811 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)no1 ZINC000883035245 591522948 /nfs/dbraw/zinc/52/29/48/591522948.db2.gz VLQNTRSNIYBDJI-ZIAGYGMSSA-N 1 2 244.294 1.731 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000130844692 591529156 /nfs/dbraw/zinc/52/91/56/591529156.db2.gz BPNOBQBKWYVBAT-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000130844692 591529159 /nfs/dbraw/zinc/52/91/59/591529159.db2.gz BPNOBQBKWYVBAT-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO Cc1nc2ccc(NCc3cn(C)c[nH+]3)cn2n1 ZINC000883154257 591554610 /nfs/dbraw/zinc/55/46/10/591554610.db2.gz DLIIXNGTJKFCHM-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883158512 591556406 /nfs/dbraw/zinc/55/64/06/591556406.db2.gz IGRKAZHVNFCJKN-JGPRNRPPSA-N 1 2 226.320 1.222 20 0 BDADLO CC[N@@H+]1CC[C@H]1CN[C@H]1CCCn2ccnc21 ZINC000883356097 591627612 /nfs/dbraw/zinc/62/76/12/591627612.db2.gz FKGQPRBWJUHXDQ-RYUDHWBXSA-N 1 2 234.347 1.402 20 0 BDADLO CC[N@H+]1CC[C@H]1CN[C@H]1CCCn2ccnc21 ZINC000883356097 591627616 /nfs/dbraw/zinc/62/76/16/591627616.db2.gz FKGQPRBWJUHXDQ-RYUDHWBXSA-N 1 2 234.347 1.402 20 0 BDADLO COC(=O)C[N@H+](CCF)C1CCCC1 ZINC000132157420 591691132 /nfs/dbraw/zinc/69/11/32/591691132.db2.gz HRLLVEOQLDZRPE-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO COC(=O)C[N@@H+](CCF)C1CCCC1 ZINC000132157420 591691134 /nfs/dbraw/zinc/69/11/34/591691134.db2.gz HRLLVEOQLDZRPE-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000883669865 591715375 /nfs/dbraw/zinc/71/53/75/591715375.db2.gz SMKCUXRVJDECBC-IUCAKERBSA-N 1 2 220.276 1.132 20 0 BDADLO CC(C)(F)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000132717730 591732308 /nfs/dbraw/zinc/73/23/08/591732308.db2.gz VVNCEELZMFGZQS-UHFFFAOYSA-N 1 2 235.262 1.699 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C=CCC1 ZINC000883784121 591741076 /nfs/dbraw/zinc/74/10/76/591741076.db2.gz NDBDRPHNBPVRKK-JTQLQIEISA-N 1 2 234.303 1.517 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C=CCC1 ZINC000883784121 591741080 /nfs/dbraw/zinc/74/10/80/591741080.db2.gz NDBDRPHNBPVRKK-JTQLQIEISA-N 1 2 234.303 1.517 20 0 BDADLO C=C/C=C\CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000883918951 591773408 /nfs/dbraw/zinc/77/34/08/591773408.db2.gz CRLUKPBCHJUFOF-DLRQAJBASA-N 1 2 246.314 1.239 20 0 BDADLO CCn1cc(C[NH+]2CCC(O)(CC)CC2)nn1 ZINC000884003190 591792162 /nfs/dbraw/zinc/79/21/62/591792162.db2.gz DFGFIIKKODLBOU-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(CC)nn2)CCS1 ZINC000884003200 591792926 /nfs/dbraw/zinc/79/29/26/591792926.db2.gz DUXQJMCIPXPQBA-NSHDSACASA-N 1 2 240.376 1.625 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(CC)nn2)CCS1 ZINC000884003200 591792929 /nfs/dbraw/zinc/79/29/29/591792929.db2.gz DUXQJMCIPXPQBA-NSHDSACASA-N 1 2 240.376 1.625 20 0 BDADLO CC/C=C(\C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800106024 591823195 /nfs/dbraw/zinc/82/31/95/591823195.db2.gz AACLYEKRKASVJS-JXDHDYMSSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C(\C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800106024 591823199 /nfs/dbraw/zinc/82/31/99/591823199.db2.gz AACLYEKRKASVJS-JXDHDYMSSA-N 1 2 241.331 1.607 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800167241 591830100 /nfs/dbraw/zinc/83/01/00/591830100.db2.gz DSGVMKOWODAVAF-VXGBXAGGSA-N 1 2 243.347 1.542 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800167241 591830101 /nfs/dbraw/zinc/83/01/01/591830101.db2.gz DSGVMKOWODAVAF-VXGBXAGGSA-N 1 2 243.347 1.542 20 0 BDADLO C[C@H](C(=O)OCC[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000800176520 591832883 /nfs/dbraw/zinc/83/28/83/591832883.db2.gz IVARUZRAYTXQAN-QWRGUYRKSA-N 1 2 241.331 1.296 20 0 BDADLO C[C@H](C(=O)OCC[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000800176520 591832885 /nfs/dbraw/zinc/83/28/85/591832885.db2.gz IVARUZRAYTXQAN-QWRGUYRKSA-N 1 2 241.331 1.296 20 0 BDADLO CCc1nc(N2CCC[C@H](CO)CC2)cc[nH+]1 ZINC000884517871 591964031 /nfs/dbraw/zinc/96/40/31/591964031.db2.gz YHCDFDLVUCARQQ-NSHDSACASA-N 1 2 235.331 1.638 20 0 BDADLO CCc1nc(NC[C@@H](C)CCCO)cc[nH+]1 ZINC000884519102 591964305 /nfs/dbraw/zinc/96/43/05/591964305.db2.gz IXDKEYADRXAQGN-JTQLQIEISA-N 1 2 223.320 1.860 20 0 BDADLO CCc1nc(N2CCC[C@H](CO)[C@@H]2C)cc[nH+]1 ZINC000884532073 591969780 /nfs/dbraw/zinc/96/97/80/591969780.db2.gz BKLNIAIGUWJAGU-WDEREUQCSA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(NCc2c(C)nnn2CC)cc[nH+]1 ZINC000884541652 591972481 /nfs/dbraw/zinc/97/24/81/591972481.db2.gz KGVYPBPJMGKWFS-UHFFFAOYSA-N 1 2 246.318 1.571 20 0 BDADLO CCc1nc(N(C)Cc2c[nH]nc2C)cc[nH+]1 ZINC000884543442 591973410 /nfs/dbraw/zinc/97/34/10/591973410.db2.gz DUUNBQZKPVSKAT-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO CCc1nc(N[C@@H](CO)C2CCC2)cc[nH+]1 ZINC000884553389 591977079 /nfs/dbraw/zinc/97/70/79/591977079.db2.gz WXPLIMSQBDBBAT-JTQLQIEISA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N2CCC[C@@H]2[C@@H](C)O)cc[nH+]1 ZINC000884557094 591978482 /nfs/dbraw/zinc/97/84/82/591978482.db2.gz GUJYLTSUUZUOPE-NXEZZACHSA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(N2C[C@]3(C)COC[C@]3(C)C2)cc[nH+]1 ZINC000884555738 591978706 /nfs/dbraw/zinc/97/87/06/591978706.db2.gz YINVEOBIPZLYHD-OKILXGFUSA-N 1 2 247.342 1.902 20 0 BDADLO CCc1nc(N[C@H](C)c2ccnn2C)cc[nH+]1 ZINC000884574862 591984963 /nfs/dbraw/zinc/98/49/63/591984963.db2.gz VYFCXQSPKXAGFI-SECBINFHSA-N 1 2 231.303 1.946 20 0 BDADLO CC(C)(C)c1nc(N[C@]23C[C@H]2COC3)cc[nH+]1 ZINC000884600475 591992669 /nfs/dbraw/zinc/99/26/69/591992669.db2.gz CUCAPVKPDGAVIH-ZANVPECISA-N 1 2 233.315 1.975 20 0 BDADLO Cc1cc(N[C@@H](CO)C[C@@H]2CCCO2)nc[nH+]1 ZINC000884615561 591994539 /nfs/dbraw/zinc/99/45/39/591994539.db2.gz KEQDMRNMPSPOMS-MNOVXSKESA-N 1 2 237.303 1.127 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2CSC[C@@H]2C1 ZINC000884644141 592001755 /nfs/dbraw/zinc/00/17/55/592001755.db2.gz FQLPHJOVGSEEMQ-AOOOYVTPSA-N 1 2 236.340 1.889 20 0 BDADLO Cc1ccc(COC(=O)COC2CC2)c(C)[nH+]1 ZINC000884657992 592005369 /nfs/dbraw/zinc/00/53/69/592005369.db2.gz TUMICTZBZCMKLV-UHFFFAOYSA-N 1 2 235.283 1.921 20 0 BDADLO Cc1cc(N2CC[C@@]3(CO)CCC[C@@H]23)nc[nH+]1 ZINC000884664209 592007710 /nfs/dbraw/zinc/00/77/10/592007710.db2.gz GDNKPKANHLHEOQ-DGCLKSJQSA-N 1 2 233.315 1.526 20 0 BDADLO CSCc1nc(CNc2cc(C)cc[nH+]2)n[nH]1 ZINC000884695428 592012981 /nfs/dbraw/zinc/01/29/81/592012981.db2.gz YBRJMNXPSYZTCV-UHFFFAOYSA-N 1 2 249.343 1.983 20 0 BDADLO CSCc1n[nH]c(CNc2cc(C)cc[nH+]2)n1 ZINC000884695428 592012983 /nfs/dbraw/zinc/01/29/83/592012983.db2.gz YBRJMNXPSYZTCV-UHFFFAOYSA-N 1 2 249.343 1.983 20 0 BDADLO CSCc1nnc(CNc2cc(C)cc[nH+]2)[nH]1 ZINC000884695428 592012987 /nfs/dbraw/zinc/01/29/87/592012987.db2.gz YBRJMNXPSYZTCV-UHFFFAOYSA-N 1 2 249.343 1.983 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccco1 ZINC000216398085 592027144 /nfs/dbraw/zinc/02/71/44/592027144.db2.gz BFCLPOXLSKWVCO-PLNGDYQASA-N 1 2 231.255 1.675 20 0 BDADLO C[C@H](CC(=O)N1CCCC(=O)[C@H]1C)n1cc[nH+]c1 ZINC000885059634 592042614 /nfs/dbraw/zinc/04/26/14/592042614.db2.gz WXJGQQBMYFLNFC-GHMZBOCLSA-N 1 2 249.314 1.414 20 0 BDADLO C[C@@H](CC(=O)N1CC(=O)CC[C@@H]1C)n1cc[nH+]c1 ZINC000885075004 592046703 /nfs/dbraw/zinc/04/67/03/592046703.db2.gz XMKGYGRRUQUNOL-QWRGUYRKSA-N 1 2 249.314 1.414 20 0 BDADLO CCO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000885327093 592067047 /nfs/dbraw/zinc/06/70/47/592067047.db2.gz UEKNAMQELHGJRG-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CCO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000885327093 592067048 /nfs/dbraw/zinc/06/70/48/592067048.db2.gz UEKNAMQELHGJRG-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cnc(C2CC2)o1 ZINC000885327844 592067450 /nfs/dbraw/zinc/06/74/50/592067450.db2.gz VPWUITIBUQZEHP-UHFFFAOYSA-N 1 2 247.254 1.606 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885983942 592120062 /nfs/dbraw/zinc/12/00/62/592120062.db2.gz UGDVRGOUQXURBP-MNOVXSKESA-N 1 2 241.331 1.485 20 0 BDADLO O=S1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886005561 592127302 /nfs/dbraw/zinc/12/73/02/592127302.db2.gz DPUSJSMIDVLSHL-VXGBXAGGSA-N 1 2 243.372 1.008 20 0 BDADLO C[C@](O)(C[NH+]1CC(C(F)(F)F)C1)C(F)F ZINC000886075440 592143888 /nfs/dbraw/zinc/14/38/88/592143888.db2.gz FKKOPSINUOWMSU-ZETCQYMHSA-N 1 2 233.180 1.497 20 0 BDADLO Cc1n[nH]c(C[NH2+]C(CF)CF)c1C ZINC000886129809 592160001 /nfs/dbraw/zinc/16/00/01/592160001.db2.gz OODRCKFGEOPRFZ-UHFFFAOYSA-N 1 2 203.236 1.424 20 0 BDADLO CON1CC[NH+](CCSC(F)(F)F)CC1 ZINC000886236315 592182044 /nfs/dbraw/zinc/18/20/44/592182044.db2.gz DQJGZMYZSPEDRU-UHFFFAOYSA-N 1 2 244.282 1.418 20 0 BDADLO CCn1cc[nH+]c1CN[C@@H](C)c1ncco1 ZINC000886273659 592193680 /nfs/dbraw/zinc/19/36/80/592193680.db2.gz DHLGPMBZESZKLO-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886274437 592194559 /nfs/dbraw/zinc/19/45/59/592194559.db2.gz SYTPAHLABBJKSH-QWHCGFSZSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886274437 592194560 /nfs/dbraw/zinc/19/45/60/592194560.db2.gz SYTPAHLABBJKSH-QWHCGFSZSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886274437 592194562 /nfs/dbraw/zinc/19/45/62/592194562.db2.gz SYTPAHLABBJKSH-QWHCGFSZSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886274437 592194563 /nfs/dbraw/zinc/19/45/63/592194563.db2.gz SYTPAHLABBJKSH-QWHCGFSZSA-N 1 2 235.331 1.799 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886330726 592210536 /nfs/dbraw/zinc/21/05/36/592210536.db2.gz WJMXQARIWVRGLK-DTORHVGOSA-N 1 2 221.304 1.819 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886330726 592210537 /nfs/dbraw/zinc/21/05/37/592210537.db2.gz WJMXQARIWVRGLK-DTORHVGOSA-N 1 2 221.304 1.819 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)Nc1nccs1 ZINC000886341056 592212147 /nfs/dbraw/zinc/21/21/47/592212147.db2.gz OZDOUEZPRNFYEX-OCAPTIKFSA-N 1 2 223.301 1.033 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)Nc1nccs1 ZINC000886341056 592212150 /nfs/dbraw/zinc/21/21/50/592212150.db2.gz OZDOUEZPRNFYEX-OCAPTIKFSA-N 1 2 223.301 1.033 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)[nH]1 ZINC000886347865 592214034 /nfs/dbraw/zinc/21/40/34/592214034.db2.gz ATDNYFNYRQITDU-DTORHVGOSA-N 1 2 206.293 1.380 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)[nH]1 ZINC000886347865 592214036 /nfs/dbraw/zinc/21/40/36/592214036.db2.gz ATDNYFNYRQITDU-DTORHVGOSA-N 1 2 206.293 1.380 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCCn2nncc2C1 ZINC000886465075 592229149 /nfs/dbraw/zinc/22/91/49/592229149.db2.gz QOYPHAFNJJZTCY-UHFFFAOYSA-N 1 2 249.343 1.449 20 0 BDADLO Cc1ncsc1C[N@H+]1CCCn2nncc2C1 ZINC000886465075 592229151 /nfs/dbraw/zinc/22/91/51/592229151.db2.gz QOYPHAFNJJZTCY-UHFFFAOYSA-N 1 2 249.343 1.449 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ncco1 ZINC000886530996 592247857 /nfs/dbraw/zinc/24/78/57/592247857.db2.gz UYUGJRKTDLNAJB-BDAKNGLRSA-N 1 2 222.244 1.652 20 0 BDADLO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ncco2)C1=O ZINC000886532930 592249532 /nfs/dbraw/zinc/24/95/32/592249532.db2.gz RJQAYZQYJHWVAA-NXEZZACHSA-N 1 2 237.303 1.335 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ncco1 ZINC000886540947 592254340 /nfs/dbraw/zinc/25/43/40/592254340.db2.gz NGWCUQVURZPJPD-GXSJLCMTSA-N 1 2 249.314 1.479 20 0 BDADLO CC(C)[C@@H]([NH2+]CC(F)(F)CO)c1cnn(C)c1 ZINC000886591939 592270106 /nfs/dbraw/zinc/27/01/06/592270106.db2.gz GIFVEJZDHRCJBC-SNVBAGLBSA-N 1 2 247.289 1.334 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000886607587 592273630 /nfs/dbraw/zinc/27/36/30/592273630.db2.gz UYNWTWFMKWURPF-HTQZYQBOSA-N 1 2 233.258 1.715 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H](C)C1CC1)C2 ZINC000886619392 592277642 /nfs/dbraw/zinc/27/76/42/592277642.db2.gz BRTRQLHWYZFWAH-SNVBAGLBSA-N 1 2 247.342 1.834 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1CC1)C2 ZINC000886630928 592283209 /nfs/dbraw/zinc/28/32/09/592283209.db2.gz XRZILAGIDRMULL-UHFFFAOYSA-N 1 2 219.288 1.198 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677151 592299546 /nfs/dbraw/zinc/29/95/46/592299546.db2.gz SEVYVEMPIMGPJZ-LLVKDONJSA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677151 592299547 /nfs/dbraw/zinc/29/95/47/592299547.db2.gz SEVYVEMPIMGPJZ-LLVKDONJSA-N 1 2 249.314 1.219 20 0 BDADLO FC(F)CN(CC[NH+]1CCOCC1)C1CCC1 ZINC000887098808 592441916 /nfs/dbraw/zinc/44/19/16/592441916.db2.gz CFAACOFMUIJXTJ-UHFFFAOYSA-N 1 2 248.317 1.438 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]23C[C@H]2COC32CCC2)c[nH+]1 ZINC000887132106 592448907 /nfs/dbraw/zinc/44/89/07/592448907.db2.gz WYUZZRHMVHUMSV-TVQRCGJNSA-N 1 2 247.298 1.160 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CCCF)n1 ZINC000887136082 592451066 /nfs/dbraw/zinc/45/10/66/592451066.db2.gz JDUQWBLYLBRZSS-UHFFFAOYSA-N 1 2 215.272 1.984 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CCCF)n1 ZINC000887136082 592451069 /nfs/dbraw/zinc/45/10/69/592451069.db2.gz JDUQWBLYLBRZSS-UHFFFAOYSA-N 1 2 215.272 1.984 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CCCF)n1 ZINC000887137480 592451586 /nfs/dbraw/zinc/45/15/86/592451586.db2.gz JKGHNUUGDKIPBN-QMMMGPOBSA-N 1 2 215.272 1.984 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CCCF)n1 ZINC000887137480 592451588 /nfs/dbraw/zinc/45/15/88/592451588.db2.gz JKGHNUUGDKIPBN-QMMMGPOBSA-N 1 2 215.272 1.984 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)CCCF ZINC000887142597 592457473 /nfs/dbraw/zinc/45/74/73/592457473.db2.gz ROTZBEQZYMFXOU-ZETCQYMHSA-N 1 2 203.286 1.891 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)CCCF ZINC000887142597 592457474 /nfs/dbraw/zinc/45/74/74/592457474.db2.gz ROTZBEQZYMFXOU-ZETCQYMHSA-N 1 2 203.286 1.891 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)CCCF)on1 ZINC000887142652 592459939 /nfs/dbraw/zinc/45/99/39/592459939.db2.gz USBIPGFFWIKYEZ-UHFFFAOYSA-N 1 2 214.240 1.669 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)CCCF)on1 ZINC000887142652 592459941 /nfs/dbraw/zinc/45/99/41/592459941.db2.gz USBIPGFFWIKYEZ-UHFFFAOYSA-N 1 2 214.240 1.669 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000140429171 592470179 /nfs/dbraw/zinc/47/01/79/592470179.db2.gz DFMKOCNSDZSLQY-BDAKNGLRSA-N 1 2 207.277 1.490 20 0 BDADLO C[C@H]1CC[C@]2(C1)[NH2+]C1(CCOCC1)C(=O)N2C ZINC000887333953 592481927 /nfs/dbraw/zinc/48/19/27/592481927.db2.gz DVSVLOSCYILKKK-GWCFXTLKSA-N 1 2 238.331 1.114 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329919 592481939 /nfs/dbraw/zinc/48/19/39/592481939.db2.gz SIMNULAQZBPKJP-IAZYJMLFSA-N 1 2 208.305 1.345 20 0 BDADLO CC[N@H+]1CC(=O)N[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329919 592481941 /nfs/dbraw/zinc/48/19/41/592481941.db2.gz SIMNULAQZBPKJP-IAZYJMLFSA-N 1 2 208.305 1.345 20 0 BDADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000887372041 592496067 /nfs/dbraw/zinc/49/60/67/592496067.db2.gz QEINQWUVXFYYSX-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C)(C)C2CC2)c[nH+]1 ZINC000887378142 592498044 /nfs/dbraw/zinc/49/80/44/592498044.db2.gz SWMBTYQKBOOUAA-UHFFFAOYSA-N 1 2 221.304 1.884 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@H]2C)c(C)c[nH+]1 ZINC000887935812 592560689 /nfs/dbraw/zinc/56/06/89/592560689.db2.gz KLIWJBOXCKLNFZ-MWLCHTKSSA-N 1 2 233.315 1.992 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000889225196 592590496 /nfs/dbraw/zinc/59/04/96/592590496.db2.gz KNWJVSIKFZJSFF-NXEZZACHSA-N 1 2 245.282 1.698 20 0 BDADLO O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889619320 592631432 /nfs/dbraw/zinc/63/14/32/592631432.db2.gz XMWVNKOSJUGHCK-IYKVGLELSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889619320 592631434 /nfs/dbraw/zinc/63/14/34/592631434.db2.gz XMWVNKOSJUGHCK-IYKVGLELSA-N 1 2 245.326 1.818 20 0 BDADLO Cc1coc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890100337 592678951 /nfs/dbraw/zinc/67/89/51/592678951.db2.gz SNONIYIKTVWASZ-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)C=CCC2)c1 ZINC000890100078 592679008 /nfs/dbraw/zinc/67/90/08/592679008.db2.gz GWZRDFQSMZEVEA-GFCCVEGCSA-N 1 2 219.288 1.393 20 0 BDADLO Cc1oc(C=O)cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100326 592679315 /nfs/dbraw/zinc/67/93/15/592679315.db2.gz NQEPKSVTVHXUER-UHFFFAOYSA-N 1 2 247.254 1.064 20 0 BDADLO Cc1cnc(C(=O)NCc2cn(C)c[nH+]2)cc1C ZINC000890099714 592679439 /nfs/dbraw/zinc/67/94/39/592679439.db2.gz HLULIWPBNLRWMO-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCC/C=C\C(=O)NCc1cn(C)c[nH+]1 ZINC000890103677 592680100 /nfs/dbraw/zinc/68/01/00/592680100.db2.gz OPUAMLCHJPRDDL-WAYWQWQTSA-N 1 2 207.277 1.393 20 0 BDADLO CS[C@@H](C)CCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109071 592682879 /nfs/dbraw/zinc/68/28/79/592682879.db2.gz AHXQXEIDMGKKDS-VIFPVBQESA-N 1 2 241.360 1.568 20 0 BDADLO CC(C)n1cnc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890107853 592683099 /nfs/dbraw/zinc/68/30/99/592683099.db2.gz SBTAICCPTIBSLL-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890108487 592683497 /nfs/dbraw/zinc/68/34/97/592683497.db2.gz ZRJZZLUGCYUBFA-UHFFFAOYSA-N 1 2 247.254 1.146 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)c1cccs1 ZINC000890113829 592683925 /nfs/dbraw/zinc/68/39/25/592683925.db2.gz QOFHYANDEIPUGW-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000890109694 592684095 /nfs/dbraw/zinc/68/40/95/592684095.db2.gz QEYLWPBYXBDQPX-SNVBAGLBSA-N 1 2 235.331 1.863 20 0 BDADLO CCC[C@@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890114653 592685368 /nfs/dbraw/zinc/68/53/68/592685368.db2.gz TXWRDVDFDPHCDT-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO Cc1cccc(C(=O)NCc2cn(C)c[nH+]2)c1C ZINC000890119197 592685739 /nfs/dbraw/zinc/68/57/39/592685739.db2.gz BGHOKFLPUHOLJA-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CCc1noc(C)c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117121 592685960 /nfs/dbraw/zinc/68/59/60/592685960.db2.gz GXTLNGXYCQZZPJ-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO O=C([O-])CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000738576006 597787047 /nfs/dbraw/zinc/78/70/47/597787047.db2.gz RLLZWPGWRPSQNM-UHFFFAOYSA-N 1 2 237.303 1.454 20 0 BDADLO C(=Cc1ccc(-c2nn[nH]n2)cn1)c1[nH]cc[nH+]1 ZINC000735399243 598531433 /nfs/dbraw/zinc/53/14/33/598531433.db2.gz JUDWYFGVYGWHLR-ARJAWSKDSA-N 1 2 239.242 1.155 20 0 BDADLO CC(C)[N@@H+](CCC(=O)[O-])CCn1cc[nH+]c1 ZINC000037474333 605140980 /nfs/dbraw/zinc/14/09/80/605140980.db2.gz ZNSMWWIHRGZUHY-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO CC(C)[N@H+](CCC(=O)[O-])CCn1cc[nH+]c1 ZINC000037474333 605140987 /nfs/dbraw/zinc/14/09/87/605140987.db2.gz ZNSMWWIHRGZUHY-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO O=C1CCN1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000857237967 634411541 /nfs/dbraw/zinc/41/15/41/634411541.db2.gz YJMOMIBEPCHCDP-UHFFFAOYSA-N 1 2 242.322 1.966 20 0 BDADLO O=C1CCN1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000857237967 634411545 /nfs/dbraw/zinc/41/15/45/634411545.db2.gz YJMOMIBEPCHCDP-UHFFFAOYSA-N 1 2 242.322 1.966 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000909353922 634472126 /nfs/dbraw/zinc/47/21/26/634472126.db2.gz NHSMQHJSSBVCIC-JTQLQIEISA-N 1 2 249.314 1.312 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ncn(C)n1 ZINC000313558234 634484391 /nfs/dbraw/zinc/48/43/91/634484391.db2.gz LCKZZBUCDIIVTP-JQWIXIFHSA-N 1 2 246.314 1.199 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)C(F)F)C1 ZINC001009815114 634588943 /nfs/dbraw/zinc/58/89/43/634588943.db2.gz MXPCQUNEAZBBMQ-YUMQZZPRSA-N 1 2 238.253 1.190 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)C(F)F)C1 ZINC001009815114 634588951 /nfs/dbraw/zinc/58/89/51/634588951.db2.gz MXPCQUNEAZBBMQ-YUMQZZPRSA-N 1 2 238.253 1.190 20 0 BDADLO Cc1cc(C)c(CNC(=O)CCF)c[nH+]1 ZINC000909390847 634598613 /nfs/dbraw/zinc/59/86/13/634598613.db2.gz KLONVURDGMAQRD-UHFFFAOYSA-N 1 2 210.252 1.674 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC[C@@H]1C[C@H]1C1CC1 ZINC000909393838 634606227 /nfs/dbraw/zinc/60/62/27/634606227.db2.gz VFULZPIBDHUOFY-RYUDHWBXSA-N 1 2 245.326 1.656 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CC1 ZINC000909396652 634609298 /nfs/dbraw/zinc/60/92/98/634609298.db2.gz RRUQPVAWNDJWPY-ONGXEEELSA-N 1 2 219.288 1.115 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000260101887 635304493 /nfs/dbraw/zinc/30/44/93/635304493.db2.gz QAXQCPBGVIRBQN-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000260101887 635304499 /nfs/dbraw/zinc/30/44/99/635304499.db2.gz QAXQCPBGVIRBQN-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CNc1cc(N2CCC[C@H](COC)C2)nc[nH+]1 ZINC000234577837 635557105 /nfs/dbraw/zinc/55/71/05/635557105.db2.gz KOBDIMRSDYMGSX-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N2CCC[C@H](COC)C2)[nH+]cn1 ZINC000234577837 635557109 /nfs/dbraw/zinc/55/71/09/635557109.db2.gz KOBDIMRSDYMGSX-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CO[C@H](C)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324797 631251297 /nfs/dbraw/zinc/25/12/97/631251297.db2.gz FGUTUKYTXDOQFF-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324797 631251303 /nfs/dbraw/zinc/25/13/03/631251303.db2.gz FGUTUKYTXDOQFF-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000933337231 631282756 /nfs/dbraw/zinc/28/27/56/631282756.db2.gz UFSYATNWYWEFOM-LLVKDONJSA-N 1 2 243.347 1.339 20 0 BDADLO COC[C@@H]1COCC[N@H+]1CCC(=O)C(C)(C)C ZINC000933337231 631282760 /nfs/dbraw/zinc/28/27/60/631282760.db2.gz UFSYATNWYWEFOM-LLVKDONJSA-N 1 2 243.347 1.339 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000308357787 631295275 /nfs/dbraw/zinc/29/52/75/631295275.db2.gz BZQLSZDWEIHHOO-GZXOQBQISA-N 1 2 201.697 1.850 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000308357787 631295282 /nfs/dbraw/zinc/29/52/82/631295282.db2.gz BZQLSZDWEIHHOO-GZXOQBQISA-N 1 2 201.697 1.850 20 0 BDADLO Nc1ccc(CNC(=O)CC2CCCC2)c[nH+]1 ZINC000308390063 631310342 /nfs/dbraw/zinc/31/03/42/631310342.db2.gz ISQVACFGZLSWCM-UHFFFAOYSA-N 1 2 233.315 1.860 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@@H]2CCOC2=O)C[C@@H]1OC ZINC000178366741 631523388 /nfs/dbraw/zinc/52/33/88/631523388.db2.gz DIKDFNDQRSBDGU-MXWKQRLJSA-N 1 2 241.331 1.485 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)oc1C ZINC000093050365 631564113 /nfs/dbraw/zinc/56/41/13/631564113.db2.gz WCSHTROZEQHKGU-GFCCVEGCSA-N 1 2 236.315 1.607 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)oc1C ZINC000093050365 631564123 /nfs/dbraw/zinc/56/41/23/631564123.db2.gz WCSHTROZEQHKGU-GFCCVEGCSA-N 1 2 236.315 1.607 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](OC)C2(C)C)nc[nH+]1 ZINC000234536434 631572137 /nfs/dbraw/zinc/57/21/37/631572137.db2.gz WOHFXSVCNIIIJM-DTWKUNHWSA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](OC)C2(C)C)[nH+]cn1 ZINC000234536434 631572143 /nfs/dbraw/zinc/57/21/43/631572143.db2.gz WOHFXSVCNIIIJM-DTWKUNHWSA-N 1 2 236.319 1.744 20 0 BDADLO CCC1(CC(=O)NCc2[nH]c[nH+]c2C)COC1 ZINC000933993884 631579789 /nfs/dbraw/zinc/57/97/89/631579789.db2.gz RAVWQOMFZHAOQT-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934012635 631592811 /nfs/dbraw/zinc/59/28/11/631592811.db2.gz CDVHINHNVDTWJQ-SECBINFHSA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934012635 631592806 /nfs/dbraw/zinc/59/28/06/631592806.db2.gz CDVHINHNVDTWJQ-SECBINFHSA-N 1 2 241.312 1.101 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934026760 631604147 /nfs/dbraw/zinc/60/41/47/631604147.db2.gz HIISINSZCCHNQA-ZDUSSCGKSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934026760 631604150 /nfs/dbraw/zinc/60/41/50/631604150.db2.gz HIISINSZCCHNQA-ZDUSSCGKSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000934026792 631604691 /nfs/dbraw/zinc/60/46/91/631604691.db2.gz OBEYKHUOMLCQSZ-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cccc(Cl)n1 ZINC000934026792 631604695 /nfs/dbraw/zinc/60/46/95/631604695.db2.gz OBEYKHUOMLCQSZ-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1nsc2ccccc21 ZINC000934019613 631618307 /nfs/dbraw/zinc/61/83/07/631618307.db2.gz RACKYCOUCDKJIX-VIFPVBQESA-N 1 2 234.324 1.863 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1nsc2ccccc21 ZINC000934019613 631618311 /nfs/dbraw/zinc/61/83/11/631618311.db2.gz RACKYCOUCDKJIX-VIFPVBQESA-N 1 2 234.324 1.863 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000934028080 631625570 /nfs/dbraw/zinc/62/55/70/631625570.db2.gz XAHZMPLDFQWLSC-NSHDSACASA-N 1 2 245.282 1.303 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC000934028080 631625575 /nfs/dbraw/zinc/62/55/75/631625575.db2.gz XAHZMPLDFQWLSC-NSHDSACASA-N 1 2 245.282 1.303 20 0 BDADLO OC[C@H]1CC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934028216 631626584 /nfs/dbraw/zinc/62/65/84/631626584.db2.gz YDKUVDRDMXRYMK-KCJUWKMLSA-N 1 2 243.253 1.065 20 0 BDADLO OC[C@H]1CC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934028216 631626589 /nfs/dbraw/zinc/62/65/89/631626589.db2.gz YDKUVDRDMXRYMK-KCJUWKMLSA-N 1 2 243.253 1.065 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ncc(C)o1 ZINC000934039080 631636921 /nfs/dbraw/zinc/63/69/21/631636921.db2.gz NUAOSRQNSLERJY-GMTAPVOTSA-N 1 2 240.303 1.438 20 0 BDADLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000118061970 631638906 /nfs/dbraw/zinc/63/89/06/631638906.db2.gz YIHXNPYGQILTIV-QWRGUYRKSA-N 1 2 236.315 1.313 20 0 BDADLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000118061970 631638914 /nfs/dbraw/zinc/63/89/14/631638914.db2.gz YIHXNPYGQILTIV-QWRGUYRKSA-N 1 2 236.315 1.313 20 0 BDADLO CS(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000078609216 635684993 /nfs/dbraw/zinc/68/49/93/635684993.db2.gz KYJBPUUGFQCKIH-UHFFFAOYSA-N 1 2 238.268 1.211 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nccc(C)n1 ZINC000934113498 631687340 /nfs/dbraw/zinc/68/73/40/631687340.db2.gz BCUSDOXTSFRXQF-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nccc(C)n1 ZINC000934113498 631687345 /nfs/dbraw/zinc/68/73/45/631687345.db2.gz BCUSDOXTSFRXQF-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO CC[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000308864637 631702164 /nfs/dbraw/zinc/70/21/64/631702164.db2.gz WMRGRSUTRZMHCE-MRVPVSSYSA-N 1 2 208.261 1.753 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934126206 631703573 /nfs/dbraw/zinc/70/35/73/631703573.db2.gz UOURASHNAKRINU-GUBZILKMSA-N 1 2 239.319 1.802 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934126206 631703581 /nfs/dbraw/zinc/70/35/81/631703581.db2.gz UOURASHNAKRINU-GUBZILKMSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nccn1C(F)F ZINC000934123523 631704638 /nfs/dbraw/zinc/70/46/38/631704638.db2.gz LRDQDGDWSDWLPM-DTWKUNHWSA-N 1 2 245.273 1.887 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nccn1C(F)F ZINC000934123523 631704643 /nfs/dbraw/zinc/70/46/43/631704643.db2.gz LRDQDGDWSDWLPM-DTWKUNHWSA-N 1 2 245.273 1.887 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCSCC1 ZINC000043447868 631792821 /nfs/dbraw/zinc/79/28/21/631792821.db2.gz BIJNMGUCYMITRF-UHFFFAOYSA-N 1 2 231.361 1.769 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCSCC1 ZINC000043447868 631792822 /nfs/dbraw/zinc/79/28/22/631792822.db2.gz BIJNMGUCYMITRF-UHFFFAOYSA-N 1 2 231.361 1.769 20 0 BDADLO CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051674547 631862108 /nfs/dbraw/zinc/86/21/08/631862108.db2.gz MGFQQOVUGKVCLA-UHFFFAOYSA-N 1 2 223.276 1.136 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934479408 631872807 /nfs/dbraw/zinc/87/28/07/631872807.db2.gz RPLHAIVSMYGPJW-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934479408 631872808 /nfs/dbraw/zinc/87/28/08/631872808.db2.gz RPLHAIVSMYGPJW-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cs1 ZINC000934562721 631926550 /nfs/dbraw/zinc/92/65/50/631926550.db2.gz BCPPXZMPZYTWTK-WDEREUQCSA-N 1 2 229.320 1.961 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cs1 ZINC000934562721 631926557 /nfs/dbraw/zinc/92/65/57/631926557.db2.gz BCPPXZMPZYTWTK-WDEREUQCSA-N 1 2 229.320 1.961 20 0 BDADLO O[C@H]1CC[N@H+](CCc2cncs2)C[C@H]1F ZINC000934563635 631928213 /nfs/dbraw/zinc/92/82/13/631928213.db2.gz FPOTXLYOXAPALN-ZJUUUORDSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2cncs2)C[C@H]1F ZINC000934563635 631928224 /nfs/dbraw/zinc/92/82/24/631928224.db2.gz FPOTXLYOXAPALN-ZJUUUORDSA-N 1 2 230.308 1.090 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934568501 631936693 /nfs/dbraw/zinc/93/66/93/631936693.db2.gz VGZRCRJNSDQPKZ-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ncccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934568501 631936699 /nfs/dbraw/zinc/93/66/99/631936699.db2.gz VGZRCRJNSDQPKZ-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000051837284 631961010 /nfs/dbraw/zinc/96/10/10/631961010.db2.gz FQOMZLYSLIJXEN-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000051837284 631961020 /nfs/dbraw/zinc/96/10/20/631961020.db2.gz FQOMZLYSLIJXEN-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccccc2F)n1 ZINC000051860527 631971152 /nfs/dbraw/zinc/97/11/52/631971152.db2.gz BYGDFJFCPSSYCM-UHFFFAOYSA-N 1 2 235.262 1.909 20 0 BDADLO CC[NH2+]Cc1noc(CCc2ccccc2)n1 ZINC000051860756 631972710 /nfs/dbraw/zinc/97/27/10/631972710.db2.gz NDOYFWTYHVKAMN-UHFFFAOYSA-N 1 2 231.299 1.964 20 0 BDADLO CC[N@H+](CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000121880570 631985166 /nfs/dbraw/zinc/98/51/66/631985166.db2.gz UJIYBVIGSMUPNR-UHFFFAOYSA-N 1 2 244.294 1.724 20 0 BDADLO CC[N@@H+](CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000121880570 631985175 /nfs/dbraw/zinc/98/51/75/631985175.db2.gz UJIYBVIGSMUPNR-UHFFFAOYSA-N 1 2 244.294 1.724 20 0 BDADLO CC(C(=O)NCc1c[nH+]cn1C)=C1CCCC1 ZINC000292688829 632077257 /nfs/dbraw/zinc/07/72/57/632077257.db2.gz MYLLZBQJPDFKAK-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CCC1(O)CCC1 ZINC000934819116 632090617 /nfs/dbraw/zinc/09/06/17/632090617.db2.gz VCOSEVHTMBRNOL-UHFFFAOYSA-N 1 2 243.347 1.611 20 0 BDADLO c1snnc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000309561015 632534442 /nfs/dbraw/zinc/53/44/42/632534442.db2.gz OTEKIPUGXLXNIQ-SNVBAGLBSA-N 1 2 243.332 1.171 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309677218 632642153 /nfs/dbraw/zinc/64/21/53/632642153.db2.gz YEZHCHXSXKXECW-ONGXEEELSA-N 1 2 223.320 1.802 20 0 BDADLO C[C@@H](O)C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892470332 632736444 /nfs/dbraw/zinc/73/64/44/632736444.db2.gz YVAVZUCZNXPSHX-SNVBAGLBSA-N 1 2 246.314 1.327 20 0 BDADLO CC[C@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179513745 632740756 /nfs/dbraw/zinc/74/07/56/632740756.db2.gz HIJCJSZRNAXUDX-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO COCC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892489791 632786808 /nfs/dbraw/zinc/78/68/08/632786808.db2.gz IPHCSNHFFIBEFB-UHFFFAOYSA-N 1 2 246.314 1.592 20 0 BDADLO Cc1cccn2c(CNc3nncn3C)c[nH+]c12 ZINC000162104465 633020459 /nfs/dbraw/zinc/02/04/59/633020459.db2.gz BUPUUOYSKLSZCM-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001006553941 633109738 /nfs/dbraw/zinc/10/97/38/633109738.db2.gz RKHXISUCVOJQFE-VIFPVBQESA-N 1 2 234.290 1.285 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001006553941 633109740 /nfs/dbraw/zinc/10/97/40/633109740.db2.gz RKHXISUCVOJQFE-VIFPVBQESA-N 1 2 234.290 1.285 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000894738463 635919666 /nfs/dbraw/zinc/91/96/66/635919666.db2.gz PTOIFZGAZDFFKG-SNVBAGLBSA-N 1 2 238.287 1.128 20 0 BDADLO CCOc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000894738463 635919670 /nfs/dbraw/zinc/91/96/70/635919670.db2.gz PTOIFZGAZDFFKG-SNVBAGLBSA-N 1 2 238.287 1.128 20 0 BDADLO Cc1nc(F)ccc1C[NH2+]Cc1cc[nH]n1 ZINC000309710946 633231566 /nfs/dbraw/zinc/23/15/66/633231566.db2.gz QPZIAQOADWGWRE-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1C ZINC000894855402 635954889 /nfs/dbraw/zinc/95/48/89/635954889.db2.gz PFMVAIPPQKAJKM-CYBMUJFWSA-N 1 2 249.358 1.906 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1C ZINC000894855402 635954892 /nfs/dbraw/zinc/95/48/92/635954892.db2.gz PFMVAIPPQKAJKM-CYBMUJFWSA-N 1 2 249.358 1.906 20 0 BDADLO C/C=C/C(=O)NCc1c[nH+]c(C)cc1C ZINC000306898371 635977675 /nfs/dbraw/zinc/97/76/75/635977675.db2.gz XBNCZPIXSOVTNH-SNAWJCMRSA-N 1 2 204.273 1.891 20 0 BDADLO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCOC1=O ZINC000019876499 636128474 /nfs/dbraw/zinc/12/84/74/636128474.db2.gz GESKLIAWWQPVHI-MFKMUULPSA-N 1 2 249.310 1.618 20 0 BDADLO COCC(COC)[N@H+]1Cc2ccncc2C1 ZINC000930462483 633835177 /nfs/dbraw/zinc/83/51/77/633835177.db2.gz LFHLMIQVDZUREI-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO COCC(COC)[N@@H+]1Cc2ccncc2C1 ZINC000930462483 633835173 /nfs/dbraw/zinc/83/51/73/633835173.db2.gz LFHLMIQVDZUREI-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO CCOCC[N@H+](CC)CC(=O)OCC(C)C ZINC000181454798 633917363 /nfs/dbraw/zinc/91/73/63/633917363.db2.gz YOMBYZITWRMGCS-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO CCOCC[N@@H+](CC)CC(=O)OCC(C)C ZINC000181454798 633917388 /nfs/dbraw/zinc/91/73/88/633917388.db2.gz YOMBYZITWRMGCS-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO Nc1cc(COC(=O)c2cncs2)cc[nH+]1 ZINC000309554440 633953194 /nfs/dbraw/zinc/95/31/94/633953194.db2.gz LWJKOZLPZCCMQA-UHFFFAOYSA-N 1 2 235.268 1.477 20 0 BDADLO Nc1ccc(CCC(=O)OCC(F)F)c[nH+]1 ZINC000309589457 633962037 /nfs/dbraw/zinc/96/20/37/633962037.db2.gz YGCKFXZBNPOQAZ-UHFFFAOYSA-N 1 2 230.214 1.405 20 0 BDADLO O[C@@H](CNc1cccc[nH+]1)c1ccccn1 ZINC000309630269 633978126 /nfs/dbraw/zinc/97/81/26/633978126.db2.gz KDFGLIXYYBGPPO-NSHDSACASA-N 1 2 215.256 1.622 20 0 BDADLO CC1(CC(=O)OCc2ccc[nH+]c2N)COC1 ZINC000924119232 634040056 /nfs/dbraw/zinc/04/00/56/634040056.db2.gz XRKVVRKJZOJLBD-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(F)cncc1F ZINC000930748955 634085913 /nfs/dbraw/zinc/08/59/13/634085913.db2.gz CYQPFMJONLAJTK-RKDXNWHRSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c(F)cncc1F ZINC000930748955 634085920 /nfs/dbraw/zinc/08/59/20/634085920.db2.gz CYQPFMJONLAJTK-RKDXNWHRSA-N 1 2 242.269 1.705 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1CCC=CO1 ZINC000193791907 634292429 /nfs/dbraw/zinc/29/24/29/634292429.db2.gz SUABQRXJPZAPOT-LLVKDONJSA-N 1 2 227.304 1.564 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CCC=CO1 ZINC000193791907 634292432 /nfs/dbraw/zinc/29/24/32/634292432.db2.gz SUABQRXJPZAPOT-LLVKDONJSA-N 1 2 227.304 1.564 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000194030891 634301957 /nfs/dbraw/zinc/30/19/57/634301957.db2.gz HEUDVGIXRSMDAE-NEPJUHHUSA-N 1 2 241.331 1.951 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000194030891 634301960 /nfs/dbraw/zinc/30/19/60/634301960.db2.gz HEUDVGIXRSMDAE-NEPJUHHUSA-N 1 2 241.331 1.951 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCCCCCO ZINC000194425713 634316463 /nfs/dbraw/zinc/31/64/63/634316463.db2.gz VDIQQGRXHVRSHE-UHFFFAOYSA-N 1 2 249.318 1.421 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)c1ncccn1 ZINC001027711935 635123131 /nfs/dbraw/zinc/12/31/31/635123131.db2.gz VVPLDUKAZJDVKB-ZYHUDNBSSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1ncccn1 ZINC001027711935 635123138 /nfs/dbraw/zinc/12/31/38/635123138.db2.gz VVPLDUKAZJDVKB-ZYHUDNBSSA-N 1 2 248.330 1.138 20 0 BDADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccno1 ZINC000893549499 635142467 /nfs/dbraw/zinc/14/24/67/635142467.db2.gz WFAKOISOTSIFGK-UHFFFAOYSA-N 1 2 240.694 1.903 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000924034556 635584658 /nfs/dbraw/zinc/58/46/58/635584658.db2.gz KXZYATIXFLPBBU-QTKMDUPCSA-N 1 2 247.342 1.669 20 0 BDADLO Cc1cc(N(C)[C@@H](C)CO)nc(C2CCC2)[nH+]1 ZINC000893727401 635624951 /nfs/dbraw/zinc/62/49/51/635624951.db2.gz SRRRDQAKXBCRQY-JTQLQIEISA-N 1 2 235.331 1.870 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000895907326 636182862 /nfs/dbraw/zinc/18/28/62/636182862.db2.gz BOFXRBZBXBGLHU-SCZZXKLOSA-N 1 2 208.261 1.021 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000896689663 636214949 /nfs/dbraw/zinc/21/49/49/636214949.db2.gz GIWKCEZISMKQOK-HOMQSWHASA-N 1 2 233.315 1.845 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2C)[nH+]c1C ZINC000896910837 636253367 /nfs/dbraw/zinc/25/33/67/636253367.db2.gz FGSITNQZVFKBDS-HZGVNTEJSA-N 1 2 207.277 1.299 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)C(=O)OC(C)(C)C ZINC000897355127 636376254 /nfs/dbraw/zinc/37/62/54/636376254.db2.gz FKSVAIREUIKULF-GUBZILKMSA-N 1 2 229.320 1.077 20 0 BDADLO CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000074673141 636651236 /nfs/dbraw/zinc/65/12/36/636651236.db2.gz PNIWXQUANINTJI-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CC[C@@H]([NH2+][C@H]1COC[C@H]1C)C(=O)OC(C)(C)C ZINC000925281822 636708683 /nfs/dbraw/zinc/70/86/83/636708683.db2.gz MGWVLHSYULGQFO-MXWKQRLJSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)OC(C)(C)C ZINC000925281797 636709928 /nfs/dbraw/zinc/70/99/28/636709928.db2.gz MGWVLHSYULGQFO-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO Cn1ccc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865376187 636811707 /nfs/dbraw/zinc/81/17/07/636811707.db2.gz CWOHPUFFXOTWCK-UHFFFAOYSA-N 1 2 218.304 1.962 20 0 BDADLO c1sc([C@@H]2COCC[NH2+]2)nc1-c1cccnc1 ZINC000084078536 636875605 /nfs/dbraw/zinc/87/56/05/636875605.db2.gz HWWONMVEIMWLPE-JTQLQIEISA-N 1 2 247.323 1.866 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1cc(C2CC2)no1 ZINC000923883472 636937439 /nfs/dbraw/zinc/93/74/39/636937439.db2.gz GUSCSPKYKAQHDL-UHFFFAOYSA-N 1 2 246.270 1.134 20 0 BDADLO CCCc1noc([C@@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923801550 637019124 /nfs/dbraw/zinc/01/91/24/637019124.db2.gz VRMNXWZIIMECJL-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CCCc1noc([C@@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923801550 637019128 /nfs/dbraw/zinc/01/91/28/637019128.db2.gz VRMNXWZIIMECJL-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)(CNC(=O)C12CC(C1)C2)n1cc[nH+]c1 ZINC000898911061 637064742 /nfs/dbraw/zinc/06/47/42/637064742.db2.gz HZUTZVBNQAJZOE-UHFFFAOYSA-N 1 2 233.315 1.535 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900947031 637205983 /nfs/dbraw/zinc/20/59/83/637205983.db2.gz VZESIQBBHYOOQF-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C(=O)[O-] ZINC000904216770 637393365 /nfs/dbraw/zinc/39/33/65/637393365.db2.gz XBNROOSNNJQRLO-SNVBAGLBSA-N 1 2 237.303 1.336 20 0 BDADLO CC[C@@](C)(O)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904263975 637395404 /nfs/dbraw/zinc/39/54/04/637395404.db2.gz BFEQMYPNOYVDCR-GFCCVEGCSA-N 1 2 248.286 1.640 20 0 BDADLO COC1(c2nc(-c3c[nH+]c(N)cc3C)no2)CC1 ZINC000904268021 637395506 /nfs/dbraw/zinc/39/55/06/637395506.db2.gz MSALNAYYDCWBRX-UHFFFAOYSA-N 1 2 246.270 1.658 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1ccc(N)nn1 ZINC000904432919 637400947 /nfs/dbraw/zinc/40/09/47/637400947.db2.gz IXXZOERCLFYFPI-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO c1cc(C[NH2+][C@H]2CCCC23OCCO3)no1 ZINC000904442579 637411646 /nfs/dbraw/zinc/41/16/46/637411646.db2.gz VEPMLDJMLQZRFN-JTQLQIEISA-N 1 2 224.260 1.060 20 0 BDADLO CCn1c[nH+]cc1C=Cc1ncc(OC)c(=O)[nH]1 ZINC000905077088 637609710 /nfs/dbraw/zinc/60/97/10/637609710.db2.gz REMGSYRJQQPZNY-PLNGDYQASA-N 1 2 246.270 1.578 20 0 BDADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)C1(O)CCCC1 ZINC000905260471 637715791 /nfs/dbraw/zinc/71/57/91/637715791.db2.gz BWWNOMGXUPXNMZ-UWVGGRQHSA-N 1 2 249.301 1.430 20 0 BDADLO CCC[NH2+][C@@H](C)c1nc(C2(N)CC2)no1 ZINC000905325734 637753405 /nfs/dbraw/zinc/75/34/05/637753405.db2.gz XEEXEONPXQAKGN-ZETCQYMHSA-N 1 2 210.281 1.078 20 0 BDADLO NC1(c2nc(C3([NH3+])CC3)no2)CC2(CCC2)C1 ZINC000905326949 637756645 /nfs/dbraw/zinc/75/66/45/637756645.db2.gz KATOAOOEXWHKDI-UHFFFAOYSA-N 1 2 234.303 1.136 20 0 BDADLO C[C@@H](O)C[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC000905713583 637894381 /nfs/dbraw/zinc/89/43/81/637894381.db2.gz TVVQHOBUYGERRV-SECBINFHSA-N 1 2 237.290 1.287 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC000905781420 637910573 /nfs/dbraw/zinc/91/05/73/637910573.db2.gz XDNCOTSOEUSSLE-UTLUCORTSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OC ZINC000905768005 637923377 /nfs/dbraw/zinc/92/33/77/637923377.db2.gz PLFCDVJCFALVIT-LOWVWBTDSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CC1=CCOCC1)C(=O)OC ZINC000905769637 637925605 /nfs/dbraw/zinc/92/56/05/637925605.db2.gz IJVUSNXYUODDDT-CMPLNLGQSA-N 1 2 241.331 1.510 20 0 BDADLO CC[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)OC(C)(C)C ZINC000905867037 637952303 /nfs/dbraw/zinc/95/23/03/637952303.db2.gz MGWVLHSYULGQFO-VWYCJHECSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cccc([C@H](O)C[NH+]2CC3(C2)CCCO3)c1 ZINC000905965478 637984336 /nfs/dbraw/zinc/98/43/36/637984336.db2.gz MKDYPKTZYLEWGK-CQSZACIVSA-N 1 2 247.338 1.893 20 0 BDADLO CC[C@@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906043233 638032852 /nfs/dbraw/zinc/03/28/52/638032852.db2.gz NFPTZDXXNYSLTN-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(C2CC2)CCC1 ZINC000906129494 638056579 /nfs/dbraw/zinc/05/65/79/638056579.db2.gz IGVPSGGDGBMUCF-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO C/C(Cl)=C\C(=O)NCCc1c[nH+]cn1C ZINC000907309029 638338720 /nfs/dbraw/zinc/33/87/20/638338720.db2.gz YYVNPLLEQRYBSH-VMPITWQZSA-N 1 2 227.695 1.221 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@@H]12 ZINC000907301291 638344664 /nfs/dbraw/zinc/34/46/64/638344664.db2.gz WPUQEGWXISMGEC-WXHSDQCUSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]2CCCC[C@H]21 ZINC000907301288 638344831 /nfs/dbraw/zinc/34/48/31/638344831.db2.gz WPUQEGWXISMGEC-KGYLQXTDSA-N 1 2 247.342 1.989 20 0 BDADLO CN(C[C@H]1CC=CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907329162 638356987 /nfs/dbraw/zinc/35/69/87/638356987.db2.gz UTNHBIRJFHJFTG-NSHDSACASA-N 1 2 233.315 1.767 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000907378317 638367324 /nfs/dbraw/zinc/36/73/24/638367324.db2.gz YHNDRGHBXZSJJP-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000907404628 638373710 /nfs/dbraw/zinc/37/37/10/638373710.db2.gz MLTJFOCWXFADKL-JQWIXIFHSA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907485333 638389886 /nfs/dbraw/zinc/38/98/86/638389886.db2.gz FCJCBPIGOGKXJM-KOLCDFICSA-N 1 2 221.304 1.599 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCCCO1 ZINC000907635627 638428241 /nfs/dbraw/zinc/42/82/41/638428241.db2.gz OLGZHEZPLRETIW-UHFFFAOYSA-N 1 2 221.260 1.048 20 0 BDADLO CC(C)C(CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000907656722 638437143 /nfs/dbraw/zinc/43/71/43/638437143.db2.gz SFKABVVBVVJQFG-UHFFFAOYSA-N 1 2 237.347 1.997 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000907670991 638439817 /nfs/dbraw/zinc/43/98/17/638439817.db2.gz ANPKSDWQWIAWTQ-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC12CCCC2 ZINC000907738606 638453375 /nfs/dbraw/zinc/45/33/75/638453375.db2.gz KQWMVBRFTWDJRM-JTQLQIEISA-N 1 2 219.288 1.401 20 0 BDADLO COCCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000907894949 638503192 /nfs/dbraw/zinc/50/31/92/638503192.db2.gz RRCHQWCXHORPCY-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO CCSCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908013880 638549649 /nfs/dbraw/zinc/54/96/49/638549649.db2.gz QZVFCIIJAQBDQC-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccnc1Cl ZINC000043538115 638556317 /nfs/dbraw/zinc/55/63/17/638556317.db2.gz ZWJGXVIPXIUYFU-QMMMGPOBSA-N 1 2 237.694 1.827 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC1(F)CCC1 ZINC000908206904 638612957 /nfs/dbraw/zinc/61/29/57/638612957.db2.gz MRVRVMVKKGYUHL-UHFFFAOYSA-N 1 2 225.267 1.351 20 0 BDADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)[C@H]1C ZINC000908431184 638708922 /nfs/dbraw/zinc/70/89/22/638708922.db2.gz ALIDGIQIVQXFDD-UWVGGRQHSA-N 1 2 219.288 1.360 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)[C@@H]1C ZINC000908431177 638709554 /nfs/dbraw/zinc/70/95/54/638709554.db2.gz ALIDGIQIVQXFDD-NXEZZACHSA-N 1 2 219.288 1.360 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@@H]1C1CC1 ZINC000908558745 639009852 /nfs/dbraw/zinc/00/98/52/639009852.db2.gz YERUJDYYPHCRJJ-LLVKDONJSA-N 1 2 231.299 1.504 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCC2CC(C)C2)C1 ZINC000909033957 639120834 /nfs/dbraw/zinc/12/08/34/639120834.db2.gz PNAUBBPFYBSEHT-MCIGGMRASA-N 1 2 241.331 1.296 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCC2CC(C)C2)C1 ZINC000909033957 639120841 /nfs/dbraw/zinc/12/08/41/639120841.db2.gz PNAUBBPFYBSEHT-MCIGGMRASA-N 1 2 241.331 1.296 20 0 BDADLO CC(=O)CCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000909112417 639157494 /nfs/dbraw/zinc/15/74/94/639157494.db2.gz XZZOIDOGAWUOMW-UHFFFAOYSA-N 1 2 237.303 1.218 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000909930149 639279445 /nfs/dbraw/zinc/27/94/45/639279445.db2.gz OZBCQNIGMGCZPS-MNOVXSKESA-N 1 2 249.314 1.177 20 0 BDADLO C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CC=CCC1 ZINC000909933376 639283181 /nfs/dbraw/zinc/28/31/81/639283181.db2.gz YDBSIOYYNQROMT-LBPRGKRZSA-N 1 2 219.288 1.567 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(F)ncn1 ZINC000150026936 639289513 /nfs/dbraw/zinc/28/95/13/639289513.db2.gz SXFKCCHEFLKDDE-QMMMGPOBSA-N 1 2 221.239 1.313 20 0 BDADLO CCn1ccnc1NC(=O)CNc1cccc[nH+]1 ZINC000910504879 639470806 /nfs/dbraw/zinc/47/08/06/639470806.db2.gz FMPFACLIHLMPQR-UHFFFAOYSA-N 1 2 245.286 1.349 20 0 BDADLO CO[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CC(C)C ZINC000910913643 639535258 /nfs/dbraw/zinc/53/52/58/639535258.db2.gz ZTAXAYPRVTWJNG-LLVKDONJSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000911188396 639591428 /nfs/dbraw/zinc/59/14/28/639591428.db2.gz SMPOLUHYWHKKRC-GXSJLCMTSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1cc(CNC(=O)CCF)cc(C)[nH+]1 ZINC000911168080 639593989 /nfs/dbraw/zinc/59/39/89/639593989.db2.gz KJOUNQHCSSEUIH-UHFFFAOYSA-N 1 2 210.252 1.674 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911574825 639670394 /nfs/dbraw/zinc/67/03/94/639670394.db2.gz SBHROVBLYNNFOC-SGDMMICCSA-N 1 2 239.706 1.457 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930308354 639696905 /nfs/dbraw/zinc/69/69/05/639696905.db2.gz XUHLXCXNPMRSIC-MBNYWOFBSA-N 1 2 246.310 1.201 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930308354 639696911 /nfs/dbraw/zinc/69/69/11/639696911.db2.gz XUHLXCXNPMRSIC-MBNYWOFBSA-N 1 2 246.310 1.201 20 0 BDADLO O[C@@H](C[N@@H+]1Cc2ccncc2C1)C1(O)CCCC1 ZINC000930463547 639764675 /nfs/dbraw/zinc/76/46/75/639764675.db2.gz ZWHVMSPKCWVQJO-ZDUSSCGKSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@@H](C[N@H+]1Cc2ccncc2C1)C1(O)CCCC1 ZINC000930463547 639764686 /nfs/dbraw/zinc/76/46/86/639764686.db2.gz ZWHVMSPKCWVQJO-ZDUSSCGKSA-N 1 2 248.326 1.063 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000930469640 639767649 /nfs/dbraw/zinc/76/76/49/639767649.db2.gz PLHGZYROTGMNNS-JNZVDCKRSA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCOC[C@H]1CC(F)F ZINC000930469640 639767652 /nfs/dbraw/zinc/76/76/52/639767652.db2.gz PLHGZYROTGMNNS-JNZVDCKRSA-N 1 2 249.301 1.935 20 0 BDADLO CC[N@H+](Cc1c(F)cncc1F)[C@@H](C)CO ZINC000930582517 639813877 /nfs/dbraw/zinc/81/38/77/639813877.db2.gz GPCDNTHVUFSRFX-QMMMGPOBSA-N 1 2 230.258 1.563 20 0 BDADLO CC[N@@H+](Cc1c(F)cncc1F)[C@@H](C)CO ZINC000930582517 639813878 /nfs/dbraw/zinc/81/38/78/639813878.db2.gz GPCDNTHVUFSRFX-QMMMGPOBSA-N 1 2 230.258 1.563 20 0 BDADLO FCCn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000930603220 639817577 /nfs/dbraw/zinc/81/75/77/639817577.db2.gz IYSGVVQYACVICR-SNVBAGLBSA-N 1 2 215.247 1.396 20 0 BDADLO FCCn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000930603220 639817578 /nfs/dbraw/zinc/81/75/78/639817578.db2.gz IYSGVVQYACVICR-SNVBAGLBSA-N 1 2 215.247 1.396 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCC(F)(F)F)[C@H]1C ZINC000930832754 639929982 /nfs/dbraw/zinc/92/99/82/639929982.db2.gz ZVGOFDXRLLGXAD-FXQIFTODSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCC(F)(F)F)[C@H]1C ZINC000930832754 639929984 /nfs/dbraw/zinc/92/99/84/639929984.db2.gz ZVGOFDXRLLGXAD-FXQIFTODSA-N 1 2 238.253 1.536 20 0 BDADLO CC1(C[NH2+][C@@]2(C)CC(C)(C)OC2=O)COC1 ZINC000930870127 639961428 /nfs/dbraw/zinc/96/14/28/639961428.db2.gz AUNVZMBQLKSMSB-LBPRGKRZSA-N 1 2 227.304 1.097 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930872046 639963043 /nfs/dbraw/zinc/96/30/43/639963043.db2.gz GXXZJPZQSCXBHN-CABZTGNLSA-N 1 2 229.320 1.221 20 0 BDADLO CSCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930874082 639965122 /nfs/dbraw/zinc/96/51/22/639965122.db2.gz DFAYFSPFHAIFCY-SNVBAGLBSA-N 1 2 217.334 1.423 20 0 BDADLO CCOC(=O)/C=C/C[NH2+][C@H](C)c1cscn1 ZINC000930966403 640002455 /nfs/dbraw/zinc/00/24/55/640002455.db2.gz WLVDGIFIBXISIQ-XNPJLODASA-N 1 2 240.328 1.913 20 0 BDADLO C[C@@]12COC[C@H]1C[N@H+](Cc1nncs1)C2 ZINC000931019838 640023928 /nfs/dbraw/zinc/02/39/28/640023928.db2.gz NHVVSVGEXNXQIF-PSASIEDQSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1nncs1)C2 ZINC000931019838 640023933 /nfs/dbraw/zinc/02/39/33/640023933.db2.gz NHVVSVGEXNXQIF-PSASIEDQSA-N 1 2 225.317 1.006 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931081034 640060894 /nfs/dbraw/zinc/06/08/94/640060894.db2.gz XAPVEFZRTJKXJL-GFSSTFBJSA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931081034 640060898 /nfs/dbraw/zinc/06/08/98/640060898.db2.gz XAPVEFZRTJKXJL-GFSSTFBJSA-N 1 2 249.301 1.935 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]23CCOC3)n[nH]1 ZINC000931144614 640078123 /nfs/dbraw/zinc/07/81/23/640078123.db2.gz YFIVXJMQIKAJNP-GVXVVHGQSA-N 1 2 248.330 1.368 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2C[C@]23CCOC3)n[nH]1 ZINC000931144614 640078130 /nfs/dbraw/zinc/07/81/30/640078130.db2.gz YFIVXJMQIKAJNP-GVXVVHGQSA-N 1 2 248.330 1.368 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000931236715 640109699 /nfs/dbraw/zinc/10/96/99/640109699.db2.gz DGVIGDVJSOQVSS-VXGBXAGGSA-N 1 2 249.314 1.082 20 0 BDADLO C[N@H+](CCCC(C)(C)C)C1CS(=O)(=O)C1 ZINC000931236136 640110518 /nfs/dbraw/zinc/11/05/18/640110518.db2.gz SGXBLVJDALDMSS-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO C[N@@H+](CCCC(C)(C)C)C1CS(=O)(=O)C1 ZINC000931236136 640110530 /nfs/dbraw/zinc/11/05/30/640110530.db2.gz SGXBLVJDALDMSS-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO CS/C=C\C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614975 640136361 /nfs/dbraw/zinc/13/63/61/640136361.db2.gz GAOZEGLKKJDXDM-DAXSKMNVSA-N 1 2 239.344 1.611 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)s1 ZINC000931547702 640266991 /nfs/dbraw/zinc/26/69/91/640266991.db2.gz DZZABQNTXZZWLP-RKDXNWHRSA-N 1 2 241.385 1.723 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)s1 ZINC000931547702 640266994 /nfs/dbraw/zinc/26/69/94/640266994.db2.gz DZZABQNTXZZWLP-RKDXNWHRSA-N 1 2 241.385 1.723 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C(F)(F)F ZINC000913018132 640285593 /nfs/dbraw/zinc/28/55/93/640285593.db2.gz HCQITRJZOHQUDB-ZETCQYMHSA-N 1 2 247.220 1.506 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000931611338 640287888 /nfs/dbraw/zinc/28/78/88/640287888.db2.gz LHOOYCUFHCQKHE-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000931611338 640287896 /nfs/dbraw/zinc/28/78/96/640287896.db2.gz LHOOYCUFHCQKHE-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1ccns1 ZINC000913058116 640295422 /nfs/dbraw/zinc/29/54/22/640295422.db2.gz CWOXBBVWITZKNR-UHFFFAOYSA-N 1 2 211.290 1.177 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC=CC12CCCC2 ZINC000913203363 640325047 /nfs/dbraw/zinc/32/50/47/640325047.db2.gz RVVABPSOWVODMH-UHFFFAOYSA-N 1 2 245.326 1.674 20 0 BDADLO CC[C@@H](CO)[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC000931775061 640369774 /nfs/dbraw/zinc/36/97/74/640369774.db2.gz QJBQUCMFLKIMMY-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO CC/C(C)=C/C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452598 640372779 /nfs/dbraw/zinc/37/27/79/640372779.db2.gz CONQWVIQCBKYBO-GCZGVDRJSA-N 1 2 248.330 1.239 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931925437 640392196 /nfs/dbraw/zinc/39/21/96/640392196.db2.gz KXRVFSDDKOZDPG-DZGCQCFKSA-N 1 2 245.322 1.823 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931925437 640392201 /nfs/dbraw/zinc/39/22/01/640392201.db2.gz KXRVFSDDKOZDPG-DZGCQCFKSA-N 1 2 245.322 1.823 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc[nH]n2)c(C)o1 ZINC000164068711 640438828 /nfs/dbraw/zinc/43/88/28/640438828.db2.gz OHTKBPOZVQWFPS-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccn2C)CCO1 ZINC000932341951 640482978 /nfs/dbraw/zinc/48/29/78/640482978.db2.gz LLUMQGYXDRKKNR-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccn2C)CCO1 ZINC000932341951 640482990 /nfs/dbraw/zinc/48/29/90/640482990.db2.gz LLUMQGYXDRKKNR-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO CCc1cnc(C[N@@H+]2CCO[C@@H](C)CC2)o1 ZINC000932345049 640487391 /nfs/dbraw/zinc/48/73/91/640487391.db2.gz FQMKABZUWOQCGM-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCO[C@@H](C)CC2)o1 ZINC000932345049 640487392 /nfs/dbraw/zinc/48/73/92/640487392.db2.gz FQMKABZUWOQCGM-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@H](C)CC2)n1 ZINC000932348905 640491196 /nfs/dbraw/zinc/49/11/96/640491196.db2.gz UVJLCCAJYDAFJH-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@H](C)CC2)n1 ZINC000932348905 640491201 /nfs/dbraw/zinc/49/12/01/640491201.db2.gz UVJLCCAJYDAFJH-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCO[C@H](C)CC2)n1 ZINC000932350447 640492949 /nfs/dbraw/zinc/49/29/49/640492949.db2.gz LQPGTBNJXARQLP-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCO[C@H](C)CC2)n1 ZINC000932350447 640492955 /nfs/dbraw/zinc/49/29/55/640492955.db2.gz LQPGTBNJXARQLP-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](C)C(C)(C)OC ZINC000932371198 640501337 /nfs/dbraw/zinc/50/13/37/640501337.db2.gz YGAJSDWEGNPXRK-VHSXEESVSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccn[nH]1 ZINC000165202672 640548985 /nfs/dbraw/zinc/54/89/85/640548985.db2.gz WUAFRZVGRMPOCR-NSHDSACASA-N 1 2 225.292 1.231 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2cccnc2)C1 ZINC001030056318 640553168 /nfs/dbraw/zinc/55/31/68/640553168.db2.gz OLJGLSCWWLQUJN-UHFFFAOYSA-N 1 2 245.326 1.462 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2COC[C@@H]2C)no1 ZINC000932497025 640557939 /nfs/dbraw/zinc/55/79/39/640557939.db2.gz GSQIEZCPGJSBGP-IUCAKERBSA-N 1 2 225.292 1.147 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1C/C=C/Cl ZINC000156994203 640560281 /nfs/dbraw/zinc/56/02/81/640560281.db2.gz WOQTWBOYDFKIRV-AQHVTNBVSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1C/C=C/Cl ZINC000156994203 640560285 /nfs/dbraw/zinc/56/02/85/640560285.db2.gz WOQTWBOYDFKIRV-AQHVTNBVSA-N 1 2 219.712 1.211 20 0 BDADLO c1cc2n(c1)CC[N@@H+](Cc1cc3n(n1)CCC3)C2 ZINC000932526078 640567644 /nfs/dbraw/zinc/56/76/44/640567644.db2.gz IISHYYCXUFIFRU-UHFFFAOYSA-N 1 2 242.326 1.647 20 0 BDADLO c1cc2n(c1)CC[N@H+](Cc1cc3n(n1)CCC3)C2 ZINC000932526078 640567648 /nfs/dbraw/zinc/56/76/48/640567648.db2.gz IISHYYCXUFIFRU-UHFFFAOYSA-N 1 2 242.326 1.647 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)c1ccsc1 ZINC001030082773 640581818 /nfs/dbraw/zinc/58/18/18/640581818.db2.gz HHAXWZBIWJPJSC-UHFFFAOYSA-N 1 2 242.319 1.522 20 0 BDADLO OCCCC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932605254 640582833 /nfs/dbraw/zinc/58/28/33/640582833.db2.gz BOWHLKPLBCAYKC-UHFFFAOYSA-N 1 2 235.331 1.349 20 0 BDADLO OCCCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932605254 640582872 /nfs/dbraw/zinc/58/28/72/640582872.db2.gz BOWHLKPLBCAYKC-UHFFFAOYSA-N 1 2 235.331 1.349 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)CC(C)C ZINC000224256244 640607058 /nfs/dbraw/zinc/60/70/58/640607058.db2.gz YVDAORYJSRUVEL-LLVKDONJSA-N 1 2 211.309 1.215 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000933137762 640670456 /nfs/dbraw/zinc/67/04/56/640670456.db2.gz KUBIYQWMWPGKFT-GHMZBOCLSA-N 1 2 249.314 1.035 20 0 BDADLO CC[NH+]1CC(NC(=O)c2oc(C)cc2C)C1 ZINC001030194853 640671220 /nfs/dbraw/zinc/67/12/20/640671220.db2.gz QYZGQJHEHURPQN-UHFFFAOYSA-N 1 2 222.288 1.330 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933204706 640679095 /nfs/dbraw/zinc/67/90/95/640679095.db2.gz UKXMUGFKVUTPDZ-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933204706 640679096 /nfs/dbraw/zinc/67/90/96/640679096.db2.gz UKXMUGFKVUTPDZ-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1conc1C ZINC000933231050 640688518 /nfs/dbraw/zinc/68/85/18/640688518.db2.gz FPVOBWPLDKBHPB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1conc1C ZINC000933231050 640688521 /nfs/dbraw/zinc/68/85/21/640688521.db2.gz FPVOBWPLDKBHPB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)CCN1CCc2c([nH+]cn2CC)C1 ZINC000933253413 640689890 /nfs/dbraw/zinc/68/98/90/640689890.db2.gz FYQITRMAPATRON-UHFFFAOYSA-N 1 2 235.331 1.630 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CC2(C)C)C1 ZINC001030222511 640693054 /nfs/dbraw/zinc/69/30/54/640693054.db2.gz GIUMVTOOSCSTFJ-GFCCVEGCSA-N 1 2 236.359 1.799 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)CC(C)C ZINC000226133306 640734398 /nfs/dbraw/zinc/73/43/98/640734398.db2.gz DACXIMRCXPQUOA-JTQLQIEISA-N 1 2 224.304 1.909 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@H]2C)c1C ZINC000050449153 640907335 /nfs/dbraw/zinc/90/73/35/640907335.db2.gz CWYOLJQISCJMKZ-LDYMZIIASA-N 1 2 248.326 1.979 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001030639077 641035845 /nfs/dbraw/zinc/03/58/45/641035845.db2.gz XKONDRVIRCFDOV-UHFFFAOYSA-N 1 2 248.326 1.438 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1cccnc1)C1CC1 ZINC000934235536 641111763 /nfs/dbraw/zinc/11/17/63/641111763.db2.gz WTVAKQLYQWCTIO-GXFFZTMASA-N 1 2 248.326 1.554 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccsc2)no1 ZINC000088001106 641146037 /nfs/dbraw/zinc/14/60/37/641146037.db2.gz HSWJPAHJWKNDDI-ZETCQYMHSA-N 1 2 225.273 1.444 20 0 BDADLO CNc1cc(N[C@@H](CCO)C(C)C)nc[nH+]1 ZINC000231220217 641147054 /nfs/dbraw/zinc/14/70/54/641147054.db2.gz GKKNIEDYJHWWRO-VIFPVBQESA-N 1 2 224.308 1.337 20 0 BDADLO CNc1cc(N[C@@H](CCO)C(C)C)[nH+]cn1 ZINC000231220217 641147059 /nfs/dbraw/zinc/14/70/59/641147059.db2.gz GKKNIEDYJHWWRO-VIFPVBQESA-N 1 2 224.308 1.337 20 0 BDADLO C[C@H]([NH2+]Cc1ccoc1)c1nnc2n1CCC2 ZINC000062103573 641193627 /nfs/dbraw/zinc/19/36/27/641193627.db2.gz PWYRIICPUNHDBU-VIFPVBQESA-N 1 2 232.287 1.668 20 0 BDADLO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934584357 641209706 /nfs/dbraw/zinc/20/97/06/641209706.db2.gz XIBJIFGWCIGNAY-VHSXEESVSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)CC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934584357 641209711 /nfs/dbraw/zinc/20/97/11/641209711.db2.gz XIBJIFGWCIGNAY-VHSXEESVSA-N 1 2 247.310 1.123 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@@H]2CCCS2)no1 ZINC000088001274 641225745 /nfs/dbraw/zinc/22/57/45/641225745.db2.gz GMESTTPTWJJGQP-BQBZGAKWSA-N 1 2 229.305 1.284 20 0 BDADLO CC(C)[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934775786 641267805 /nfs/dbraw/zinc/26/78/05/641267805.db2.gz OFUSYFYAMJLOEN-LBPRGKRZSA-N 1 2 247.298 1.310 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CCC1OCCO1 ZINC000934820740 641282008 /nfs/dbraw/zinc/28/20/08/641282008.db2.gz SQCDOWHCMLFXSG-UHFFFAOYSA-N 1 2 245.319 1.069 20 0 BDADLO CC[C@@H](O)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934848723 641287183 /nfs/dbraw/zinc/28/71/83/641287183.db2.gz MYORWTWDMPQFMW-SNVBAGLBSA-N 1 2 247.298 1.454 20 0 BDADLO CC[C@](C)(OC)c1noc([C@H](C)[NH+](C)C)n1 ZINC000350431322 641326692 /nfs/dbraw/zinc/32/66/92/641326692.db2.gz GUEGHBNVNHRZLD-KWQFWETISA-N 1 2 227.308 1.964 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001030869919 641392661 /nfs/dbraw/zinc/39/26/61/641392661.db2.gz VZJXHWOBUSLGDE-WDEREUQCSA-N 1 2 224.348 1.633 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001030873874 641394269 /nfs/dbraw/zinc/39/42/69/641394269.db2.gz XKUHUMLLNUCEPU-PWSUYJOCSA-N 1 2 224.348 1.633 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@]2(C)CCCO2)no1 ZINC000350762051 641412316 /nfs/dbraw/zinc/41/23/16/641412316.db2.gz UDRZJVCCTJNVMG-LBPRGKRZSA-N 1 2 239.319 1.937 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@]2(C)CCCO2)no1 ZINC000350762051 641412318 /nfs/dbraw/zinc/41/23/18/641412318.db2.gz UDRZJVCCTJNVMG-LBPRGKRZSA-N 1 2 239.319 1.937 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001030922438 641423474 /nfs/dbraw/zinc/42/34/74/641423474.db2.gz KNQNBWWUCCKLIQ-SNVBAGLBSA-N 1 2 224.348 1.633 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc(CC2CC2)[nH]n1 ZINC000913780236 641472855 /nfs/dbraw/zinc/47/28/55/641472855.db2.gz DRVWLDFGZSBFRW-UHFFFAOYSA-N 1 2 245.286 1.267 20 0 BDADLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CC(F)(F)C1 ZINC000913816020 641483760 /nfs/dbraw/zinc/48/37/60/641483760.db2.gz XREGHXARYNKSDH-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ocnc2C2CC2)C1 ZINC001030951729 641515419 /nfs/dbraw/zinc/51/54/19/641515419.db2.gz DKCYKFUYCMANTB-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1CC=CCC1 ZINC000936023934 641519560 /nfs/dbraw/zinc/51/95/60/641519560.db2.gz BUTRHRBKTYKRJX-LLVKDONJSA-N 1 2 233.315 1.783 20 0 BDADLO C[C@@H]1CCN1C(=O)CNc1cccc[nH+]1 ZINC000914154200 641588219 /nfs/dbraw/zinc/58/82/19/641588219.db2.gz WXHDTGBCORIFLW-SECBINFHSA-N 1 2 205.261 1.114 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCOC2)c(N(C)C)[nH+]1 ZINC000152602719 641620956 /nfs/dbraw/zinc/62/09/56/641620956.db2.gz YANQWAVGASSIAG-SNVBAGLBSA-N 1 2 249.314 1.431 20 0 BDADLO CNc1cc(N2C[C@@H](C)C[C@H]2C)nc[nH+]1 ZINC000158422999 641633916 /nfs/dbraw/zinc/63/39/16/641633916.db2.gz ATODRQZGNAGIQW-DTWKUNHWSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2C[C@@H](C)C[C@H]2C)[nH+]cn1 ZINC000158422999 641633921 /nfs/dbraw/zinc/63/39/21/641633921.db2.gz ATODRQZGNAGIQW-DTWKUNHWSA-N 1 2 206.293 1.753 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3ccccn3c2)C1 ZINC001031043534 641640513 /nfs/dbraw/zinc/64/05/13/641640513.db2.gz FJNUPBYQWGHYCN-UHFFFAOYSA-N 1 2 243.310 1.373 20 0 BDADLO Cc1ccc2[nH+]cc(CNc3nncn3C)n2c1 ZINC000158734642 641648335 /nfs/dbraw/zinc/64/83/35/641648335.db2.gz YARNEKVHIBOKCI-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CC(C)(CNC(=O)Cc1[nH]cc[nH+]1)CC(F)F ZINC000914370842 641651646 /nfs/dbraw/zinc/65/16/46/641651646.db2.gz IALMYENJYZQDLP-UHFFFAOYSA-N 1 2 245.273 1.750 20 0 BDADLO C=C/C=C/CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000914403822 641659021 /nfs/dbraw/zinc/65/90/21/641659021.db2.gz QHZCDDWWDSTDKM-ONEGZZNKSA-N 1 2 205.261 1.201 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CF)C1 ZINC000914426920 641669715 /nfs/dbraw/zinc/66/97/15/641669715.db2.gz BZVVRPZUZNPEHC-JTQLQIEISA-N 1 2 239.294 1.469 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CF)C1 ZINC000914425745 641670471 /nfs/dbraw/zinc/67/04/71/641670471.db2.gz QAQGYZJKWPPJHP-SECBINFHSA-N 1 2 225.267 1.160 20 0 BDADLO C[C@@H]1Cc2ccccc2N1C(=O)Cc1c[nH]c[nH+]1 ZINC000074673707 641719105 /nfs/dbraw/zinc/71/91/05/641719105.db2.gz BGXTZKBAYNCULN-SNVBAGLBSA-N 1 2 241.294 1.930 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@]2(C)CC)C1 ZINC001031175762 641775662 /nfs/dbraw/zinc/77/56/62/641775662.db2.gz PZBHPQGUDMFKGZ-PWSUYJOCSA-N 1 2 210.321 1.243 20 0 BDADLO CO[C@H]1C[N@H+](CC(=O)OCC(C)C)CC[C@H]1C ZINC000189356652 641805270 /nfs/dbraw/zinc/80/52/70/641805270.db2.gz BJUWOIFVWIFLIU-NEPJUHHUSA-N 1 2 243.347 1.542 20 0 BDADLO CO[C@H]1C[N@@H+](CC(=O)OCC(C)C)CC[C@H]1C ZINC000189356652 641805272 /nfs/dbraw/zinc/80/52/72/641805272.db2.gz BJUWOIFVWIFLIU-NEPJUHHUSA-N 1 2 243.347 1.542 20 0 BDADLO C[C@@H]([NH2+]Cc1ccncc1)c1nnnn1C1CC1 ZINC000191828524 641945785 /nfs/dbraw/zinc/94/57/85/641945785.db2.gz ZRKLAFFHFGLDKR-SECBINFHSA-N 1 2 244.302 1.254 20 0 BDADLO CN(C)C(=O)OCn1c[nH+]c2c1CCCC2 ZINC000917783298 642120267 /nfs/dbraw/zinc/12/02/67/642120267.db2.gz BCEJHBHRXILOEI-UHFFFAOYSA-N 1 2 223.276 1.418 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)cccc2F)C1 ZINC001031481747 642199546 /nfs/dbraw/zinc/19/95/46/642199546.db2.gz DAQHBCAKJPCRJT-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001031489583 642208749 /nfs/dbraw/zinc/20/87/49/642208749.db2.gz IKSBZDFISOGBIM-UHFFFAOYSA-N 1 2 238.375 1.879 20 0 BDADLO Cc1nc(Cl)nn1Cc1[nH+]ccn1C ZINC000918590518 642231733 /nfs/dbraw/zinc/23/17/33/642231733.db2.gz PTBIFYMCYANMFR-UHFFFAOYSA-N 1 2 211.656 1.022 20 0 BDADLO C[C@H]([NH2+]Cc1ccccn1)c1nccn1C ZINC000070007347 642417957 /nfs/dbraw/zinc/41/79/57/642417957.db2.gz WHRAJHVTKBRNQS-JTQLQIEISA-N 1 2 216.288 1.666 20 0 BDADLO CCn1c[nH+]c2c1CCN(CCC(=O)C(C)C)C2 ZINC000933254583 642425535 /nfs/dbraw/zinc/42/55/35/642425535.db2.gz CWVISKZFGXKACW-UHFFFAOYSA-N 1 2 249.358 1.876 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC000255486619 642442784 /nfs/dbraw/zinc/44/27/84/642442784.db2.gz XKHFXSUTMORZQW-QIUOEGRZSA-N 1 2 202.685 1.079 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC000255486619 642442791 /nfs/dbraw/zinc/44/27/91/642442791.db2.gz XKHFXSUTMORZQW-QIUOEGRZSA-N 1 2 202.685 1.079 20 0 BDADLO CCC/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000920461051 642499829 /nfs/dbraw/zinc/49/98/29/642499829.db2.gz LDHBXEKTAKYPNB-PLNGDYQASA-N 1 2 207.277 1.356 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)CC1(C)C ZINC000921156878 642579697 /nfs/dbraw/zinc/57/96/97/642579697.db2.gz VNOKCYKCRDTUBZ-VIFPVBQESA-N 1 2 235.331 1.908 20 0 BDADLO CNC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921143125 642581341 /nfs/dbraw/zinc/58/13/41/642581341.db2.gz HVXMQOYBIUPRIU-UHFFFAOYSA-N 1 2 246.339 1.466 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](CC)CO)C(=O)OC ZINC000233049081 642649829 /nfs/dbraw/zinc/64/98/29/642649829.db2.gz LEFQKLIYDADFAV-NXEZZACHSA-N 1 2 217.309 1.079 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001009804703 642839522 /nfs/dbraw/zinc/83/95/22/642839522.db2.gz XQDWBNVPCNGMHM-KOLCDFICSA-N 1 2 237.303 1.254 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001009804703 642839524 /nfs/dbraw/zinc/83/95/24/642839524.db2.gz XQDWBNVPCNGMHM-KOLCDFICSA-N 1 2 237.303 1.254 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001009838962 642845199 /nfs/dbraw/zinc/84/51/99/642845199.db2.gz DSMBRRDKHSKFNO-AZVKUDOFSA-N 1 2 248.729 1.678 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001009838962 642845202 /nfs/dbraw/zinc/84/52/02/642845202.db2.gz DSMBRRDKHSKFNO-AZVKUDOFSA-N 1 2 248.729 1.678 20 0 BDADLO CC[N@H+](CC1CC1)Cn1ncn(C)c1=S ZINC000069797256 642912673 /nfs/dbraw/zinc/91/26/73/642912673.db2.gz BRBOQXIDKDNMNV-UHFFFAOYSA-N 1 2 226.349 1.640 20 0 BDADLO CC[N@@H+](CC1CC1)Cn1ncn(C)c1=S ZINC000069797256 642912678 /nfs/dbraw/zinc/91/26/78/642912678.db2.gz BRBOQXIDKDNMNV-UHFFFAOYSA-N 1 2 226.349 1.640 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069890313 642927805 /nfs/dbraw/zinc/92/78/05/642927805.db2.gz RPZSOXKOJNEZFH-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OCC(C)C)[C@H]1CCCO1 ZINC000182322396 642996892 /nfs/dbraw/zinc/99/68/92/642996892.db2.gz WSEJOEGOLUDKGI-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000070359977 643019525 /nfs/dbraw/zinc/01/95/25/643019525.db2.gz YCABWPRHJHEJQD-SRVKXCTJSA-N 1 2 243.347 1.731 20 0 BDADLO COC(OC)[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000070652964 643054738 /nfs/dbraw/zinc/05/47/38/643054738.db2.gz NJMORHAGZQKAKK-ZETCQYMHSA-N 1 2 230.333 1.549 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)C[C@H]1C ZINC000941691115 643117025 /nfs/dbraw/zinc/11/70/25/643117025.db2.gz RSYBVSQABBAKDY-SKDRFNHKSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)C[C@H]1C ZINC000941691115 643117031 /nfs/dbraw/zinc/11/70/31/643117031.db2.gz RSYBVSQABBAKDY-SKDRFNHKSA-N 1 2 237.303 1.021 20 0 BDADLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000064798339 643141789 /nfs/dbraw/zinc/14/17/89/643141789.db2.gz VYSSLDZTYZDMJJ-GXFFZTMASA-N 1 2 236.290 1.951 20 0 BDADLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000064798339 643141794 /nfs/dbraw/zinc/14/17/94/643141794.db2.gz VYSSLDZTYZDMJJ-GXFFZTMASA-N 1 2 236.290 1.951 20 0 BDADLO O=C(N1CC[NH+](C2CCC2)CC1)C(F)(F)F ZINC000306567829 643186838 /nfs/dbraw/zinc/18/68/38/643186838.db2.gz IJTUTKDRCKCRHC-UHFFFAOYSA-N 1 2 236.237 1.245 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032090052 643245346 /nfs/dbraw/zinc/24/53/46/643245346.db2.gz POALDKCPCOQRAM-NWDGAFQWSA-N 1 2 242.338 1.296 20 0 BDADLO CS/C=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000083612117 643294681 /nfs/dbraw/zinc/29/46/81/643294681.db2.gz DGAJRNFYGFNNNL-QLCVYAKKSA-N 1 2 239.344 1.512 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1CN1CCCC1=O ZINC000072941177 643336175 /nfs/dbraw/zinc/33/61/75/643336175.db2.gz NNZNJPXWMLJMJO-LBPRGKRZSA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1CN1CCCC1=O ZINC000072941177 643336179 /nfs/dbraw/zinc/33/61/79/643336179.db2.gz NNZNJPXWMLJMJO-LBPRGKRZSA-N 1 2 240.347 1.313 20 0 BDADLO Cc1[nH]c(CN2CCn3cccc3C2)[nH+]c1C ZINC000932526824 643349322 /nfs/dbraw/zinc/34/93/22/643349322.db2.gz QMMBDFHKQZGEEQ-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000082644698 643360297 /nfs/dbraw/zinc/36/02/97/643360297.db2.gz IIFHUWGNBKCOSF-NSHDSACASA-N 1 2 221.304 1.221 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000082644698 643360304 /nfs/dbraw/zinc/36/03/04/643360304.db2.gz IIFHUWGNBKCOSF-NSHDSACASA-N 1 2 221.304 1.221 20 0 BDADLO CC(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000082644957 643361299 /nfs/dbraw/zinc/36/12/99/643361299.db2.gz ACHGQSAITUKTIF-UHFFFAOYSA-N 1 2 204.273 1.887 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603985 643377173 /nfs/dbraw/zinc/37/71/73/643377173.db2.gz GOXOQSLFWLAXQV-NSHDSACASA-N 1 2 249.358 1.737 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603985 643377178 /nfs/dbraw/zinc/37/71/78/643377178.db2.gz GOXOQSLFWLAXQV-NSHDSACASA-N 1 2 249.358 1.737 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603984 643377574 /nfs/dbraw/zinc/37/75/74/643377574.db2.gz GOXOQSLFWLAXQV-LLVKDONJSA-N 1 2 249.358 1.737 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603984 643377579 /nfs/dbraw/zinc/37/75/79/643377579.db2.gz GOXOQSLFWLAXQV-LLVKDONJSA-N 1 2 249.358 1.737 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](F)CC ZINC001032238346 643385873 /nfs/dbraw/zinc/38/58/73/643385873.db2.gz MNBVTWNVDKNILO-VWYCJHECSA-N 1 2 228.311 1.430 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](F)CC ZINC001032238346 643385876 /nfs/dbraw/zinc/38/58/76/643385876.db2.gz MNBVTWNVDKNILO-VWYCJHECSA-N 1 2 228.311 1.430 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CC=C(COC)CC1 ZINC000185807921 643390027 /nfs/dbraw/zinc/39/00/27/643390027.db2.gz HZFWIEAAPFMNKP-NSHDSACASA-N 1 2 241.331 1.607 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CC=C(COC)CC1 ZINC000185807921 643390034 /nfs/dbraw/zinc/39/00/34/643390034.db2.gz HZFWIEAAPFMNKP-NSHDSACASA-N 1 2 241.331 1.607 20 0 BDADLO C[C@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000307200606 643420458 /nfs/dbraw/zinc/42/04/58/643420458.db2.gz DKPWXDKERCPDMT-JGVFFNPUSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000307200606 643420463 /nfs/dbraw/zinc/42/04/63/643420463.db2.gz DKPWXDKERCPDMT-JGVFFNPUSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000307157848 643413153 /nfs/dbraw/zinc/41/31/53/643413153.db2.gz RDNXXUXFDNWRSM-XPUUQOCRSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000307157848 643413156 /nfs/dbraw/zinc/41/31/56/643413156.db2.gz RDNXXUXFDNWRSM-XPUUQOCRSA-N 1 2 232.736 1.609 20 0 BDADLO Cc1cccc(C[N@H+](C)CCS(C)(=O)=O)c1 ZINC000076797264 643568822 /nfs/dbraw/zinc/56/88/22/643568822.db2.gz FORVCGSXGFFRLH-UHFFFAOYSA-N 1 2 241.356 1.471 20 0 BDADLO Cc1cccc(C[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000076797264 643568828 /nfs/dbraw/zinc/56/88/28/643568828.db2.gz FORVCGSXGFFRLH-UHFFFAOYSA-N 1 2 241.356 1.471 20 0 BDADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC000970922104 643619194 /nfs/dbraw/zinc/61/91/94/643619194.db2.gz WDQJDRLUSZADIR-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000970922104 643619199 /nfs/dbraw/zinc/61/91/99/643619199.db2.gz WDQJDRLUSZADIR-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)c1ccncc1 ZINC000086453772 643634851 /nfs/dbraw/zinc/63/48/51/643634851.db2.gz ZPTMUYMSIOGTTK-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccnc2)C1 ZINC000084376847 643659042 /nfs/dbraw/zinc/65/90/42/643659042.db2.gz ZDEKMEQXGPYTPH-UHFFFAOYSA-N 1 2 206.289 1.284 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccccn2)C1 ZINC000084376848 643660506 /nfs/dbraw/zinc/66/05/06/643660506.db2.gz KYNUCCAHYSBOHB-UHFFFAOYSA-N 1 2 206.289 1.284 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773063538 643763529 /nfs/dbraw/zinc/76/35/29/643763529.db2.gz CDIFNHOSCXGNMS-YPMHNXCESA-N 1 2 246.358 1.613 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000773063538 643763534 /nfs/dbraw/zinc/76/35/34/643763534.db2.gz CDIFNHOSCXGNMS-YPMHNXCESA-N 1 2 246.358 1.613 20 0 BDADLO CC[C@@H]1C[N@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC000929256253 643823928 /nfs/dbraw/zinc/82/39/28/643823928.db2.gz AAJLRUVDFOTLPT-PFEDMVJOSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC000929256253 643823929 /nfs/dbraw/zinc/82/39/29/643823929.db2.gz AAJLRUVDFOTLPT-PFEDMVJOSA-N 1 2 227.304 1.217 20 0 BDADLO CC(C)SCC(=O)OCc1ccc[nH+]c1N ZINC000922321739 643969930 /nfs/dbraw/zinc/96/99/30/643969930.db2.gz ZWOBMFVXEZCPNJ-UHFFFAOYSA-N 1 2 240.328 1.849 20 0 BDADLO COCCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922399993 643984675 /nfs/dbraw/zinc/98/46/75/643984675.db2.gz VBKJAPDOMGWEJQ-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO CCCCOCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922468767 643997014 /nfs/dbraw/zinc/99/70/14/643997014.db2.gz FYSCSYAXJOPYBK-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CC23CCC3)c[nH+]1 ZINC000922527947 644015639 /nfs/dbraw/zinc/01/56/39/644015639.db2.gz KYKKCECWQWTCFD-SNVBAGLBSA-N 1 2 232.283 1.897 20 0 BDADLO CCC[C@](C)(O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922545075 644019855 /nfs/dbraw/zinc/01/98/55/644019855.db2.gz ZKJWGHUACHAAQB-LBPRGKRZSA-N 1 2 238.287 1.258 20 0 BDADLO Cn1nccc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922578589 644032020 /nfs/dbraw/zinc/03/20/20/644032020.db2.gz BITGVDGRZLQKDU-GFCCVEGCSA-N 1 2 243.314 1.451 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922579378 644032029 /nfs/dbraw/zinc/03/20/29/644032029.db2.gz ICQRLZQSQLZVTA-LBPRGKRZSA-N 1 2 243.314 1.749 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922582877 644033769 /nfs/dbraw/zinc/03/37/69/644033769.db2.gz OIBOBLDFWSDFCK-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO CO[C@H](C)CCC(=O)OCc1ccc[nH+]c1N ZINC000922600446 644039841 /nfs/dbraw/zinc/03/98/41/644039841.db2.gz RQQJCGBIKLMVDF-SECBINFHSA-N 1 2 238.287 1.522 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922621149 644043367 /nfs/dbraw/zinc/04/33/67/644043367.db2.gz JPCXUJFAJXCGJK-GHMZBOCLSA-N 1 2 234.299 1.999 20 0 BDADLO C[C@@H]1CCO[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922776477 644092427 /nfs/dbraw/zinc/09/24/27/644092427.db2.gz PIAMLKNGQUHJKX-KCJUWKMLSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1(C(F)F)CC1 ZINC000922831528 644111508 /nfs/dbraw/zinc/11/15/08/644111508.db2.gz JJUQXRXDCWOQTA-UHFFFAOYSA-N 1 2 242.225 1.752 20 0 BDADLO Cc1ccc(O)c(C[NH2+]Cc2ccon2)n1 ZINC000086452688 644139572 /nfs/dbraw/zinc/13/95/72/644139572.db2.gz SSSUZMPOOIPBEK-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO Cc1cc(C[NH2+]Cc2cncc(O)c2)on1 ZINC000922975322 644205381 /nfs/dbraw/zinc/20/53/81/644205381.db2.gz FNOKARVZXHLZAG-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC=CO1 ZINC000193832564 644284344 /nfs/dbraw/zinc/28/43/44/644284344.db2.gz JLWJAGWGVTWPHE-LLVKDONJSA-N 1 2 241.331 1.953 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC=CO1 ZINC000193832564 644284349 /nfs/dbraw/zinc/28/43/49/644284349.db2.gz JLWJAGWGVTWPHE-LLVKDONJSA-N 1 2 241.331 1.953 20 0 BDADLO COC(=O)N1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000082254825 644362967 /nfs/dbraw/zinc/36/29/67/644362967.db2.gz KOAPDNAEMIWRCA-NSHDSACASA-N 1 2 249.314 1.527 20 0 BDADLO O=C(NCc1ccco1)c1cccc2[nH+]ccn21 ZINC000082305032 644365892 /nfs/dbraw/zinc/36/58/92/644365892.db2.gz CDVHDFCLYMKVNK-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO CC[N@H+](CCO)Cc1c(Cl)c(C)nn1C ZINC000084275461 644422851 /nfs/dbraw/zinc/42/28/51/644422851.db2.gz ZQFXCNFSICCSSE-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO CC[N@@H+](CCO)Cc1c(Cl)c(C)nn1C ZINC000084275461 644422856 /nfs/dbraw/zinc/42/28/56/644422856.db2.gz ZQFXCNFSICCSSE-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087620246 644499033 /nfs/dbraw/zinc/49/90/33/644499033.db2.gz DWKUCQPASJJGHD-ONGXEEELSA-N 1 2 231.361 1.813 20 0 BDADLO CNc1cc(N(C)[C@@H](C)C(C)C)nc[nH+]1 ZINC000087813282 644502520 /nfs/dbraw/zinc/50/25/20/644502520.db2.gz BDIWCYWLKFVYPL-VIFPVBQESA-N 1 2 208.309 1.999 20 0 BDADLO CNc1cc(N(C)[C@@H](C)C(C)C)[nH+]cn1 ZINC000087813282 644502523 /nfs/dbraw/zinc/50/25/23/644502523.db2.gz BDIWCYWLKFVYPL-VIFPVBQESA-N 1 2 208.309 1.999 20 0 BDADLO Cc1cccc(NCCNC(=O)C(F)(F)F)[nH+]1 ZINC000743463980 644567601 /nfs/dbraw/zinc/56/76/01/644567601.db2.gz CSYYYMDDHGHKBT-UHFFFAOYSA-N 1 2 247.220 1.480 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000247730275 644647790 /nfs/dbraw/zinc/64/77/90/644647790.db2.gz VBYPBBZKFXCBCT-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000247730275 644647795 /nfs/dbraw/zinc/64/77/95/644647795.db2.gz VBYPBBZKFXCBCT-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO C[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000763964937 644656349 /nfs/dbraw/zinc/65/63/49/644656349.db2.gz WERAGXJKQMRXRY-SSDOTTSWSA-N 1 2 242.216 1.097 20 0 BDADLO C[NH+]1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000763964937 644656355 /nfs/dbraw/zinc/65/63/55/644656355.db2.gz WERAGXJKQMRXRY-SSDOTTSWSA-N 1 2 242.216 1.097 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213139 644711311 /nfs/dbraw/zinc/71/13/11/644711311.db2.gz CMRXDMNQPVVENL-SNVBAGLBSA-N 1 2 219.288 1.280 20 0 BDADLO CO[C@@H]1C[N@H+](Cn2cc(Cl)cn2)CC[C@H]1C ZINC000249835928 644742299 /nfs/dbraw/zinc/74/22/99/644742299.db2.gz MVALDOQSLAOIJA-MWLCHTKSSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@@H]1C[N@@H+](Cn2cc(Cl)cn2)CC[C@H]1C ZINC000249835928 644742304 /nfs/dbraw/zinc/74/23/04/644742304.db2.gz MVALDOQSLAOIJA-MWLCHTKSSA-N 1 2 243.738 1.851 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN(C)[C@H](C)C2)c1 ZINC000792264943 644796050 /nfs/dbraw/zinc/79/60/50/644796050.db2.gz ZNNIYINDSWOVED-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN(C)[C@H](C)C2)c1 ZINC000792264943 644796055 /nfs/dbraw/zinc/79/60/55/644796055.db2.gz ZNNIYINDSWOVED-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000251836889 644825245 /nfs/dbraw/zinc/82/52/45/644825245.db2.gz KXLJEXVCXVPXTR-IVZWLZJFSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000251836888 644825794 /nfs/dbraw/zinc/82/57/94/644825794.db2.gz KXLJEXVCXVPXTR-AEJSXWLSSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc[nH]1 ZINC000807171627 644861269 /nfs/dbraw/zinc/86/12/69/644861269.db2.gz VMTTYYKZDPKNHX-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000304341163 644894097 /nfs/dbraw/zinc/89/40/97/644894097.db2.gz TUHWAKXSJUPFGO-WDEREUQCSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC000304341163 644894100 /nfs/dbraw/zinc/89/41/00/644894100.db2.gz TUHWAKXSJUPFGO-WDEREUQCSA-N 1 2 229.320 1.175 20 0 BDADLO CNc1cc(N(C)[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000252928778 644924999 /nfs/dbraw/zinc/92/49/99/644924999.db2.gz RFMKVTXDXWVCJH-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N(C)[C@@H]2CCCC[C@H]2O)[nH+]cn1 ZINC000252928778 644925005 /nfs/dbraw/zinc/92/50/05/644925005.db2.gz RFMKVTXDXWVCJH-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCCC1CC1 ZINC000825670208 645062733 /nfs/dbraw/zinc/06/27/33/645062733.db2.gz PCTVOYJTMFZIPB-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(F)(F)CC)C[C@H]1C ZINC000831142245 645128459 /nfs/dbraw/zinc/12/84/59/645128459.db2.gz IICAJIIVQGZEFK-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(F)(F)CC)C[C@H]1C ZINC000831142245 645128462 /nfs/dbraw/zinc/12/84/62/645128462.db2.gz IICAJIIVQGZEFK-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC000844381792 645323548 /nfs/dbraw/zinc/32/35/48/645323548.db2.gz NDODVPMOCYXNAB-GFCCVEGCSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC000844381792 645323551 /nfs/dbraw/zinc/32/35/51/645323551.db2.gz NDODVPMOCYXNAB-GFCCVEGCSA-N 1 2 238.335 1.205 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)F)c1cnn(C)n1 ZINC000926780157 645428838 /nfs/dbraw/zinc/42/88/38/645428838.db2.gz LXXFVCLARAHRMZ-ZETCQYMHSA-N 1 2 200.261 1.214 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927411098 645605355 /nfs/dbraw/zinc/60/53/55/645605355.db2.gz VGVJSWOGBHZNHB-NEPJUHHUSA-N 1 2 247.342 1.813 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc2occc2[nH]1 ZINC000115387893 645634345 /nfs/dbraw/zinc/63/43/45/645634345.db2.gz OREHNYJKWYYFGV-UHFFFAOYSA-N 1 2 245.238 1.814 20 0 BDADLO C[C@H]1C[C@H](C(=O)NCc2ccc(N)[nH+]c2)CCO1 ZINC000927776880 645654741 /nfs/dbraw/zinc/65/47/41/645654741.db2.gz OMVWTXIAANBSSH-GXSJLCMTSA-N 1 2 249.314 1.095 20 0 BDADLO Nc1ccc(CNC(=O)CCCF)c[nH+]1 ZINC000927778556 645654797 /nfs/dbraw/zinc/65/47/97/645654797.db2.gz WRNGCLKRPUXFPT-UHFFFAOYSA-N 1 2 211.240 1.030 20 0 BDADLO COCCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000927778003 645656162 /nfs/dbraw/zinc/65/61/62/645656162.db2.gz GUZPQMCZCQSELS-UHFFFAOYSA-N 1 2 237.303 1.097 20 0 BDADLO C[C@]1(C(=O)NCc2ccc(N)[nH+]c2)CCCOC1 ZINC000927777286 645656220 /nfs/dbraw/zinc/65/62/20/645656220.db2.gz JAEMCLZFYIUTNX-ZDUSSCGKSA-N 1 2 249.314 1.097 20 0 BDADLO C[C@@]1(C(=O)NCc2ccc(N)[nH+]c2)CCCOC1 ZINC000927777285 645656929 /nfs/dbraw/zinc/65/69/29/645656929.db2.gz JAEMCLZFYIUTNX-CYBMUJFWSA-N 1 2 249.314 1.097 20 0 BDADLO CC[C@]1(C)CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866551663 645731308 /nfs/dbraw/zinc/73/13/08/645731308.db2.gz NURIHOLCZOHBBL-ZYHUDNBSSA-N 1 2 237.303 1.092 20 0 BDADLO CN(C)CC(C)(C)[NH2+]Cc1ccc(Cl)nn1 ZINC000877578364 645799616 /nfs/dbraw/zinc/79/96/16/645799616.db2.gz BWTCOMWYHICCLK-UHFFFAOYSA-N 1 2 242.754 1.560 20 0 BDADLO CCc1ncc(C(=O)NC[C@H]2CC[N@@H+]2C)s1 ZINC000928567680 645826346 /nfs/dbraw/zinc/82/63/46/645826346.db2.gz YFSBFERKQBZNNE-MRVPVSSYSA-N 1 2 239.344 1.139 20 0 BDADLO CCc1ncc(C(=O)NC[C@H]2CC[N@H+]2C)s1 ZINC000928567680 645826350 /nfs/dbraw/zinc/82/63/50/645826350.db2.gz YFSBFERKQBZNNE-MRVPVSSYSA-N 1 2 239.344 1.139 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)nn1 ZINC000929123857 645955582 /nfs/dbraw/zinc/95/55/82/645955582.db2.gz FEUCLMIVIWQKJI-PHIMTYICSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)nn1 ZINC000929123857 645955588 /nfs/dbraw/zinc/95/55/88/645955588.db2.gz FEUCLMIVIWQKJI-PHIMTYICSA-N 1 2 235.331 1.703 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCOCC1 ZINC000929141494 645968984 /nfs/dbraw/zinc/96/89/84/645968984.db2.gz QQJGIUAONRWCOZ-UHFFFAOYSA-N 1 2 231.255 1.035 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(C)CC=CC1 ZINC000924201408 646004844 /nfs/dbraw/zinc/00/48/44/646004844.db2.gz AXMGUCZVYYNYNW-UHFFFAOYSA-N 1 2 234.299 1.862 20 0 BDADLO OCC[N@@H+](Cc1c(F)cncc1F)CC1CC1 ZINC000929342394 646073858 /nfs/dbraw/zinc/07/38/58/646073858.db2.gz DONZMXSZTJSHHJ-UHFFFAOYSA-N 1 2 242.269 1.564 20 0 BDADLO OCC[N@H+](Cc1c(F)cncc1F)CC1CC1 ZINC000929342394 646073862 /nfs/dbraw/zinc/07/38/62/646073862.db2.gz DONZMXSZTJSHHJ-UHFFFAOYSA-N 1 2 242.269 1.564 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2cnn(C)n2)cn1 ZINC000924614874 646079762 /nfs/dbraw/zinc/07/97/62/646079762.db2.gz JWWANHHANAAMBO-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCC[N@H+](CC)Cc1nnc(OC)s1 ZINC000929366437 646098976 /nfs/dbraw/zinc/09/89/76/646098976.db2.gz IPFILBDWEMGFRE-UHFFFAOYSA-N 1 2 215.322 1.779 20 0 BDADLO CCC[N@@H+](CC)Cc1nnc(OC)s1 ZINC000929366437 646098978 /nfs/dbraw/zinc/09/89/78/646098978.db2.gz IPFILBDWEMGFRE-UHFFFAOYSA-N 1 2 215.322 1.779 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cnn(C)c2)nn1 ZINC000924752460 646100300 /nfs/dbraw/zinc/10/03/00/646100300.db2.gz PEJPWWFRTKLHCK-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO OCC[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929513732 646161209 /nfs/dbraw/zinc/16/12/09/646161209.db2.gz MXVRHHXSYCFLKA-VIFPVBQESA-N 1 2 227.333 1.275 20 0 BDADLO OCC[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929513732 646161211 /nfs/dbraw/zinc/16/12/11/646161211.db2.gz MXVRHHXSYCFLKA-VIFPVBQESA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)nnc1C ZINC000929658659 646224325 /nfs/dbraw/zinc/22/43/25/646224325.db2.gz CKQKWASQPKNPJS-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)nnc1C ZINC000929658659 646224319 /nfs/dbraw/zinc/22/43/19/646224319.db2.gz CKQKWASQPKNPJS-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cnnn1C ZINC000925285291 646232542 /nfs/dbraw/zinc/23/25/42/646232542.db2.gz LOXMOLDAMHECJN-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO CC[C@H]1C(=O)NCCN1Cc1cc(C)cc(C)[nH+]1 ZINC000929682179 646241214 /nfs/dbraw/zinc/24/12/14/646241214.db2.gz DAFMJHWRDBEJBW-ZDUSSCGKSA-N 1 2 247.342 1.409 20 0 BDADLO Cc1[nH]c(CN2CCSC[C@@H]2C)c(C)[nH+]1 ZINC000929689310 646245706 /nfs/dbraw/zinc/24/57/06/646245706.db2.gz URYRGWJJLZHIFZ-QMMMGPOBSA-N 1 2 225.361 1.964 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000929706753 646261275 /nfs/dbraw/zinc/26/12/75/646261275.db2.gz SCQYCGGDSQXGBD-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000929706753 646261283 /nfs/dbraw/zinc/26/12/83/646261283.db2.gz SCQYCGGDSQXGBD-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO CC[N@H+](CCCO)Cc1c(F)cncc1F ZINC000929752185 646284230 /nfs/dbraw/zinc/28/42/30/646284230.db2.gz GVTQIAOJVJBDFK-UHFFFAOYSA-N 1 2 230.258 1.564 20 0 BDADLO CC[N@@H+](CCCO)Cc1c(F)cncc1F ZINC000929752185 646284237 /nfs/dbraw/zinc/28/42/37/646284237.db2.gz GVTQIAOJVJBDFK-UHFFFAOYSA-N 1 2 230.258 1.564 20 0 BDADLO COc1nnc(C[NH+]2C[C@H](C)[C@@H](C)C2)s1 ZINC000929753633 646286429 /nfs/dbraw/zinc/28/64/29/646286429.db2.gz CUEQVSWLFKUINO-YUMQZZPRSA-N 1 2 227.333 1.635 20 0 BDADLO O[C@H](CC[C@H](O)Cn1cc[nH+]c1)c1ccccc1 ZINC000929866366 646365687 /nfs/dbraw/zinc/36/56/87/646365687.db2.gz XZNGJLWBAOYKIW-UONOGXRCSA-N 1 2 246.310 1.758 20 0 BDADLO COC(=O)[C@@H]1CCCC[C@@H]1Cn1cc[nH+]c1 ZINC000929865495 646366315 /nfs/dbraw/zinc/36/63/15/646366315.db2.gz FCTNAIBCYQCDEE-GHMZBOCLSA-N 1 2 222.288 1.863 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125649 646447259 /nfs/dbraw/zinc/44/72/59/646447259.db2.gz NWKQZBOLCPPHER-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125649 646447262 /nfs/dbraw/zinc/44/72/62/646447262.db2.gz NWKQZBOLCPPHER-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)c(C)nn1 ZINC000930130584 646452731 /nfs/dbraw/zinc/45/27/31/646452731.db2.gz PXBKGZCVUCECRF-AWEZNQCLSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)c(C)nn1 ZINC000930130584 646452738 /nfs/dbraw/zinc/45/27/38/646452738.db2.gz PXBKGZCVUCECRF-AWEZNQCLSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOCC12CCCC2 ZINC000930133191 646455408 /nfs/dbraw/zinc/45/54/08/646455408.db2.gz GGAGOEQQLDWYIF-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOCC12CCCC2 ZINC000930133191 646455409 /nfs/dbraw/zinc/45/54/09/646455409.db2.gz GGAGOEQQLDWYIF-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO C[C@@H]([NH2+][C@H]1CNOC1)c1cccnc1Cl ZINC000925868818 646519723 /nfs/dbraw/zinc/51/97/23/646519723.db2.gz UMFJHUICUBWRPZ-SFYZADRCSA-N 1 2 227.695 1.289 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CNOC2)c(C)s1 ZINC000925871128 646522397 /nfs/dbraw/zinc/52/23/97/646522397.db2.gz NKNZFUSYJXKOQW-RCOVLWMOSA-N 1 2 227.333 1.314 20 0 BDADLO CCn1nc(C)c([C@@H](C)NCc2c[nH+]cn2C)n1 ZINC000926445636 646639846 /nfs/dbraw/zinc/63/98/46/646639846.db2.gz VNPCSOGYWVPHPG-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO [NH3+][C@H](CC(=O)NCc1ccccc1F)C(F)F ZINC000724739272 711609691 /nfs/dbraw/zinc/60/96/91/711609691.db2.gz LOESQLPAOXPFKG-SECBINFHSA-N 1 2 246.232 1.424 20 0 BDADLO [NH3+][C@@H](CC(=O)NCc1ccccc1F)C(F)F ZINC000724739274 711609915 /nfs/dbraw/zinc/60/99/15/711609915.db2.gz LOESQLPAOXPFKG-VIFPVBQESA-N 1 2 246.232 1.424 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724749899 711610677 /nfs/dbraw/zinc/61/06/77/711610677.db2.gz BFNMYFUUKSABCI-IWSPIJDZSA-N 1 2 234.290 1.473 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccc(Cl)nc1)C(F)F ZINC000724743131 711610637 /nfs/dbraw/zinc/61/06/37/711610637.db2.gz WHAQCQMFJBHCFX-LURJTMIESA-N 1 2 249.648 1.656 20 0 BDADLO Cc1cccc(NC(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC000724773249 711611507 /nfs/dbraw/zinc/61/15/07/711611507.db2.gz WNWQDWAEZRTUJR-SECBINFHSA-N 1 2 228.242 1.916 20 0 BDADLO CC(C)(O)[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000721889441 711811683 /nfs/dbraw/zinc/81/16/83/711811683.db2.gz YPOKZWZPCWNJTD-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO CC(C)(O)[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000721889441 711811684 /nfs/dbraw/zinc/81/16/84/711811684.db2.gz YPOKZWZPCWNJTD-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1scnc1Cl ZINC000721920556 711937322 /nfs/dbraw/zinc/93/73/22/711937322.db2.gz GYYIJNTXBXFDQL-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1scnc1Cl ZINC000721920556 711937323 /nfs/dbraw/zinc/93/73/23/711937323.db2.gz GYYIJNTXBXFDQL-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)[C@H]1CO ZINC000707137661 712165433 /nfs/dbraw/zinc/16/54/33/712165433.db2.gz OGSFZGUFOKXQEO-SCZZXKLOSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)[C@H]1CO ZINC000707137661 712165434 /nfs/dbraw/zinc/16/54/34/712165434.db2.gz OGSFZGUFOKXQEO-SCZZXKLOSA-N 1 2 243.738 1.276 20 0 BDADLO CC(C)c1cnc(C[N@@H+](C)C[C@H](C)O)o1 ZINC000709320161 712219728 /nfs/dbraw/zinc/21/97/28/712219728.db2.gz PQNHOKODJRRUHE-VIFPVBQESA-N 1 2 212.293 1.611 20 0 BDADLO CC(C)c1cnc(C[N@H+](C)C[C@H](C)O)o1 ZINC000709320161 712219729 /nfs/dbraw/zinc/21/97/29/712219729.db2.gz PQNHOKODJRRUHE-VIFPVBQESA-N 1 2 212.293 1.611 20 0 BDADLO CNC(=S)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759133194 712409068 /nfs/dbraw/zinc/40/90/68/712409068.db2.gz CKAMHCGGNQEQJI-NXEZZACHSA-N 1 2 238.360 1.270 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OC/C=C\Cl)C1 ZINC000805475792 712414643 /nfs/dbraw/zinc/41/46/43/712414643.db2.gz XOORFJKLUBPAHH-TYRPZCRBSA-N 1 2 233.695 1.003 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OC/C=C\Cl)C1 ZINC000805475792 712414645 /nfs/dbraw/zinc/41/46/45/712414645.db2.gz XOORFJKLUBPAHH-TYRPZCRBSA-N 1 2 233.695 1.003 20 0 BDADLO C=C/C=C\CCNC(=O)Cn1cc[nH+]c1 ZINC000713469020 712461171 /nfs/dbraw/zinc/46/11/71/712461171.db2.gz WUAZHXYHOSZYLS-ARJAWSKDSA-N 1 2 205.261 1.132 20 0 BDADLO Clc1nc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cs1 ZINC000718166750 712750904 /nfs/dbraw/zinc/75/09/04/712750904.db2.gz MOXKNZFBJHSHSY-OCAPTIKFSA-N 1 2 244.747 1.875 20 0 BDADLO Clc1nc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cs1 ZINC000718166750 712750906 /nfs/dbraw/zinc/75/09/06/712750906.db2.gz MOXKNZFBJHSHSY-OCAPTIKFSA-N 1 2 244.747 1.875 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@H](C)CC2)[nH]c1C ZINC000720502126 712847683 /nfs/dbraw/zinc/84/76/83/712847683.db2.gz PJSJOXLFZDTWFZ-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@H](C)CC2)[nH]c1C ZINC000720502126 712847685 /nfs/dbraw/zinc/84/76/85/712847685.db2.gz PJSJOXLFZDTWFZ-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C)CC2)[nH+]c1C ZINC000720502126 712847687 /nfs/dbraw/zinc/84/76/87/712847687.db2.gz PJSJOXLFZDTWFZ-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)c1ccccc1F ZINC000145563171 710603169 /nfs/dbraw/zinc/60/31/69/710603169.db2.gz CQEMWNPXZDTOOF-LLVKDONJSA-N 1 2 206.220 1.756 20 0 BDADLO COCC[C@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000381321639 710621680 /nfs/dbraw/zinc/62/16/80/710621680.db2.gz OYOBPMROEBWGJB-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccccc2F)c1 ZINC000381604848 710660740 /nfs/dbraw/zinc/66/07/40/710660740.db2.gz IDJGXZGDYSGURH-UHFFFAOYSA-N 1 2 219.263 1.849 20 0 BDADLO CC[NH2+]Cc1noc(/C=C(/C)C2CC2)n1 ZINC000381624784 710662571 /nfs/dbraw/zinc/66/25/71/710662571.db2.gz ILCASTPWAUNEBW-VURMDHGXSA-N 1 2 207.277 1.992 20 0 BDADLO CC(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001018376788 710666134 /nfs/dbraw/zinc/66/61/34/710666134.db2.gz YAWWCARVFVCWET-NSHDSACASA-N 1 2 249.314 1.262 20 0 BDADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)CC[C@H]1O ZINC000721929679 710692928 /nfs/dbraw/zinc/69/29/28/710692928.db2.gz PZAZZJKHMSTLBD-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)CC[C@H]1O ZINC000721929679 710692930 /nfs/dbraw/zinc/69/29/30/710692930.db2.gz PZAZZJKHMSTLBD-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000380387636 712900434 /nfs/dbraw/zinc/90/04/34/712900434.db2.gz ZUKARJVGOOVYJX-PFDYWKIBSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000380387636 712900435 /nfs/dbraw/zinc/90/04/35/712900435.db2.gz ZUKARJVGOOVYJX-PFDYWKIBSA-N 1 2 227.304 1.215 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)c2Cl)[nH]n1 ZINC000381979488 710762968 /nfs/dbraw/zinc/76/29/68/710762968.db2.gz DYIOEWQAABRXLD-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC001067347622 710765805 /nfs/dbraw/zinc/76/58/05/710765805.db2.gz PDDUCOSWQMJHQM-JOYOIKCWSA-N 1 2 248.330 1.136 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C)C1 ZINC001042434489 710782268 /nfs/dbraw/zinc/78/22/68/710782268.db2.gz KHWPCQNVXDIAEU-WCQYABFASA-N 1 2 236.359 1.751 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001042691855 710796809 /nfs/dbraw/zinc/79/68/09/710796809.db2.gz GZZYVCOIOHFTOT-UHFFFAOYSA-N 1 2 248.330 1.132 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001042955962 710801191 /nfs/dbraw/zinc/80/11/91/710801191.db2.gz BSINSQFSTFCUHX-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(C)on2)C1 ZINC001046087598 710846165 /nfs/dbraw/zinc/84/61/65/710846165.db2.gz UJCRVKLBDPIIDD-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C)on2)C1 ZINC001046087598 710846167 /nfs/dbraw/zinc/84/61/67/710846167.db2.gz UJCRVKLBDPIIDD-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CNc1cc(N2CCSC(C)(C)C2)nc[nH+]1 ZINC000133454039 710970072 /nfs/dbraw/zinc/97/00/72/710970072.db2.gz FSCGOZLIMSQOTQ-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CNc1cc(N2CCSC(C)(C)C2)[nH+]cn1 ZINC000133454039 710970076 /nfs/dbraw/zinc/97/00/76/710970076.db2.gz FSCGOZLIMSQOTQ-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)CCCCO)c1Cl ZINC000385184924 711007205 /nfs/dbraw/zinc/00/72/05/711007205.db2.gz YQOAFMTWJTXANN-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)CCCCO)c1Cl ZINC000385184924 711007207 /nfs/dbraw/zinc/00/72/07/711007207.db2.gz YQOAFMTWJTXANN-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000386885529 711037885 /nfs/dbraw/zinc/03/78/85/711037885.db2.gz GENPCQDAAWFJKI-RYUDHWBXSA-N 1 2 243.347 1.734 20 0 BDADLO CNc1cc(N[C@@H]2CC23CCOCC3)nc[nH+]1 ZINC000387366841 711042722 /nfs/dbraw/zinc/04/27/22/711042722.db2.gz WZBCXDMCEFZYMA-SECBINFHSA-N 1 2 234.303 1.499 20 0 BDADLO CNc1cc(N[C@@H]2CC23CCOCC3)[nH+]cn1 ZINC000387366841 711042725 /nfs/dbraw/zinc/04/27/25/711042725.db2.gz WZBCXDMCEFZYMA-SECBINFHSA-N 1 2 234.303 1.499 20 0 BDADLO Cn1nnnc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000389318755 711076302 /nfs/dbraw/zinc/07/63/02/711076302.db2.gz CEVRDMGNFFWDLB-LLVKDONJSA-N 1 2 247.277 1.126 20 0 BDADLO Cn1ncc(C[NH2+]Cc2coc3ccccc23)n1 ZINC000389808900 711089910 /nfs/dbraw/zinc/08/99/10/711089910.db2.gz BWCUORBKXIVBQZ-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CO[C@H](C[NH2+]Cc1cc[nH]n1)C(F)(F)F ZINC000389898700 711096335 /nfs/dbraw/zinc/09/63/35/711096335.db2.gz BNXWCWBUJFRPMG-SSDOTTSWSA-N 1 2 223.198 1.077 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cncc(C)c2)s1 ZINC000391970866 711141053 /nfs/dbraw/zinc/14/10/53/711141053.db2.gz WVTYABJBFCZEEP-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@@H](CO)CC2)c1 ZINC000393464038 711159836 /nfs/dbraw/zinc/15/98/36/711159836.db2.gz NDLPHJBKZIFMET-LLVKDONJSA-N 1 2 236.315 1.173 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000393802080 711174986 /nfs/dbraw/zinc/17/49/86/711174986.db2.gz NPJLHTYKXGMSSX-LBPRGKRZSA-N 1 2 217.268 1.059 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)C(F)F)C[N@@H+]1CCF ZINC001071291942 711185818 /nfs/dbraw/zinc/18/58/18/711185818.db2.gz RITPEQYFFVSDJV-JGVFFNPUSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)C(F)F)C[N@H+]1CCF ZINC001071291942 711185819 /nfs/dbraw/zinc/18/58/19/711185819.db2.gz RITPEQYFFVSDJV-JGVFFNPUSA-N 1 2 238.253 1.190 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccnn2C(C)C)[nH]1 ZINC000394606815 711195573 /nfs/dbraw/zinc/19/55/73/711195573.db2.gz MZWYWQCQIRJZLS-VIFPVBQESA-N 1 2 248.334 1.741 20 0 BDADLO C[C@H]([NH2+]C[C@]1(C)CCOC1)C(=O)OC(C)(C)C ZINC000397201394 711378956 /nfs/dbraw/zinc/37/89/56/711378956.db2.gz WMBOTHURXVHQIK-GWCFXTLKSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1cccc(C#N)c1 ZINC000398333010 711408207 /nfs/dbraw/zinc/40/82/07/711408207.db2.gz BOUIFLMWWGAOFS-VIFPVBQESA-N 1 2 227.271 1.527 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000399656598 711434178 /nfs/dbraw/zinc/43/41/78/711434178.db2.gz KAYBFLJERHZMJY-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000399656598 711434179 /nfs/dbraw/zinc/43/41/79/711434179.db2.gz KAYBFLJERHZMJY-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO COC[C@@H](CO)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724414388 710741075 /nfs/dbraw/zinc/74/10/75/710741075.db2.gz UHGWMQOQPKLGPC-SECBINFHSA-N 1 2 242.319 1.069 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC001042495498 710787314 /nfs/dbraw/zinc/78/73/14/710787314.db2.gz GOYFKVVOECGCEB-UHFFFAOYSA-N 1 2 248.330 1.132 20 0 BDADLO CC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001068994003 711030487 /nfs/dbraw/zinc/03/04/87/711030487.db2.gz YOARFCMLIJARIS-LDYMZIIASA-N 1 2 234.303 1.206 20 0 BDADLO CCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001068990752 711030677 /nfs/dbraw/zinc/03/06/77/711030677.db2.gz WMCHBGRVTSUSEB-KOLCDFICSA-N 1 2 248.330 1.596 20 0 BDADLO CC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001068994001 711031022 /nfs/dbraw/zinc/03/10/22/711031022.db2.gz YOARFCMLIJARIS-KCJUWKMLSA-N 1 2 234.303 1.206 20 0 BDADLO CNc1cc(N2C[C@@H](F)[C@@H](F)C2)nc[nH+]1 ZINC000714530725 711508294 /nfs/dbraw/zinc/50/82/94/711508294.db2.gz IVOIMMKSNJWJLE-KNVOCYPGSA-N 1 2 214.219 1.015 20 0 BDADLO CNc1cc(N2C[C@@H](F)[C@@H](F)C2)[nH+]cn1 ZINC000714530725 711508296 /nfs/dbraw/zinc/50/82/96/711508296.db2.gz IVOIMMKSNJWJLE-KNVOCYPGSA-N 1 2 214.219 1.015 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)sn1 ZINC000135094313 711589351 /nfs/dbraw/zinc/58/93/51/711589351.db2.gz XFTYNWUZBDMWHP-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC000135094313 711589352 /nfs/dbraw/zinc/58/93/52/711589352.db2.gz XFTYNWUZBDMWHP-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO [NH3+][C@H](CC(=O)NC1CCCC1)C(F)F ZINC000724721327 711610309 /nfs/dbraw/zinc/61/03/09/711610309.db2.gz LSRCZNIOKHWLQV-SSDOTTSWSA-N 1 2 206.236 1.028 20 0 BDADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001075466295 711628514 /nfs/dbraw/zinc/62/85/14/711628514.db2.gz LEVZAJVWBKRXNY-NWDGAFQWSA-N 1 2 249.314 1.036 20 0 BDADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001075466295 711628515 /nfs/dbraw/zinc/62/85/15/711628515.db2.gz LEVZAJVWBKRXNY-NWDGAFQWSA-N 1 2 249.314 1.036 20 0 BDADLO COC[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892631206 711680018 /nfs/dbraw/zinc/68/00/18/711680018.db2.gz FWWNXMSXXXPVJZ-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO COC[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892631206 711680020 /nfs/dbraw/zinc/68/00/20/711680020.db2.gz FWWNXMSXXXPVJZ-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO CCc1cnccc1-c1noc([C@@H]([NH3+])COC)n1 ZINC000167503921 711684005 /nfs/dbraw/zinc/68/40/05/711684005.db2.gz NMXJNPAZANVBGW-JTQLQIEISA-N 1 2 248.286 1.340 20 0 BDADLO Cc1nc(N[C@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC001058821708 711742091 /nfs/dbraw/zinc/74/20/91/711742091.db2.gz AHZNUJSYJDFMPG-NSHDSACASA-N 1 2 246.314 1.208 20 0 BDADLO CCN1CCC[C@@H]([NH2+]Cc2cscn2)C1=O ZINC000722360220 711746311 /nfs/dbraw/zinc/74/63/11/711746311.db2.gz PMQUOLHEDAYHOW-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000894532096 711771769 /nfs/dbraw/zinc/77/17/69/711771769.db2.gz ACHIQALOQLWAFR-MFKMUULPSA-N 1 2 235.331 1.347 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000894532096 711771770 /nfs/dbraw/zinc/77/17/70/711771770.db2.gz ACHIQALOQLWAFR-MFKMUULPSA-N 1 2 235.331 1.347 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889604113 711774600 /nfs/dbraw/zinc/77/46/00/711774600.db2.gz UHSSGGKQJIYKPV-ZMLRMANQSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889604113 711774602 /nfs/dbraw/zinc/77/46/02/711774602.db2.gz UHSSGGKQJIYKPV-ZMLRMANQSA-N 1 2 233.315 1.647 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)cc2F)C1 ZINC000393593902 711870641 /nfs/dbraw/zinc/87/06/41/711870641.db2.gz VAPQOJIZMVPJEM-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccncc2)C1 ZINC000084376648 711924724 /nfs/dbraw/zinc/92/47/24/711924724.db2.gz XZISEVGTEUNHTL-UHFFFAOYSA-N 1 2 206.289 1.284 20 0 BDADLO CC1(C)C[N@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721931261 711939409 /nfs/dbraw/zinc/93/94/09/711939409.db2.gz HERGVWULXFTNAT-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721931261 711939410 /nfs/dbraw/zinc/93/94/10/711939410.db2.gz HERGVWULXFTNAT-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO CC(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057553636 711953925 /nfs/dbraw/zinc/95/39/25/711953925.db2.gz LFNHWXBSOSCWLL-NSHDSACASA-N 1 2 234.303 1.208 20 0 BDADLO CNc1cc(NCCOCCC(C)C)[nH+]cn1 ZINC000132192915 711955755 /nfs/dbraw/zinc/95/57/55/711955755.db2.gz BKSPVHIYEBTAIY-UHFFFAOYSA-N 1 2 238.335 1.993 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cncc1F ZINC000929271206 711958574 /nfs/dbraw/zinc/95/85/74/711958574.db2.gz QSGRKQWQCSULRX-VIFPVBQESA-N 1 2 242.269 1.707 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1c(F)cncc1F ZINC000929271206 711958577 /nfs/dbraw/zinc/95/85/77/711958577.db2.gz QSGRKQWQCSULRX-VIFPVBQESA-N 1 2 242.269 1.707 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCCC1 ZINC000132526088 711965275 /nfs/dbraw/zinc/96/52/75/711965275.db2.gz WRCLXAPSBGTRKH-LLVKDONJSA-N 1 2 236.319 1.467 20 0 BDADLO Cc1nc(NC[C@@]2(C)CC2(C)C)nc(N)[nH+]1 ZINC000702406488 712050836 /nfs/dbraw/zinc/05/08/36/712050836.db2.gz SBDGSJIVHZQKHI-LLVKDONJSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@@]2(C)CC2(C)C)[nH+]1 ZINC000702406488 712050838 /nfs/dbraw/zinc/05/08/38/712050838.db2.gz SBDGSJIVHZQKHI-LLVKDONJSA-N 1 2 221.308 1.610 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N)nn1 ZINC000703962254 712096443 /nfs/dbraw/zinc/09/64/43/712096443.db2.gz IPYPPSCJHDORFJ-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N)nn1 ZINC000703962254 712096446 /nfs/dbraw/zinc/09/64/46/712096446.db2.gz IPYPPSCJHDORFJ-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000706166135 712141407 /nfs/dbraw/zinc/14/14/07/712141407.db2.gz IQANBWGTQAWJCL-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000706166135 712141408 /nfs/dbraw/zinc/14/14/08/712141408.db2.gz IQANBWGTQAWJCL-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@H](O)CC2)cc1Cl ZINC000707060981 712164629 /nfs/dbraw/zinc/16/46/29/712164629.db2.gz CDIXWGSRUHIWDW-JTQLQIEISA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@H](O)CC2)cc1Cl ZINC000707060981 712164631 /nfs/dbraw/zinc/16/46/31/712164631.db2.gz CDIXWGSRUHIWDW-JTQLQIEISA-N 1 2 243.738 1.420 20 0 BDADLO Cc1[nH]c(CNc2cncnc2)[nH+]c1C ZINC000709048444 712206797 /nfs/dbraw/zinc/20/67/97/712206797.db2.gz LGGLZWMMBLNZBB-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000709078754 712207809 /nfs/dbraw/zinc/20/78/09/712207809.db2.gz DKEGFAIWLZTZPZ-QJGQKNTRSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000709078754 712207812 /nfs/dbraw/zinc/20/78/12/712207812.db2.gz DKEGFAIWLZTZPZ-QJGQKNTRSA-N 1 2 241.331 1.463 20 0 BDADLO CC[C@H]1COC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000711111198 712281572 /nfs/dbraw/zinc/28/15/72/712281572.db2.gz SPZVBBNJLBOQLN-GXSJLCMTSA-N 1 2 209.293 1.233 20 0 BDADLO CNc1cc(N[C@@H]2COC3(CCC3)C2)nc[nH+]1 ZINC000711128151 712286087 /nfs/dbraw/zinc/28/60/87/712286087.db2.gz NUSBCGFRJRCGRZ-VIFPVBQESA-N 1 2 234.303 1.642 20 0 BDADLO CNc1cc(N[C@@H]2COC3(CCC3)C2)[nH+]cn1 ZINC000711128151 712286088 /nfs/dbraw/zinc/28/60/88/712286088.db2.gz NUSBCGFRJRCGRZ-VIFPVBQESA-N 1 2 234.303 1.642 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000711327878 712294539 /nfs/dbraw/zinc/29/45/39/712294539.db2.gz NNNQJEPYGFWWIA-UHFFFAOYSA-N 1 2 241.331 1.608 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000711327878 712294540 /nfs/dbraw/zinc/29/45/40/712294540.db2.gz NNNQJEPYGFWWIA-UHFFFAOYSA-N 1 2 241.331 1.608 20 0 BDADLO CC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001065635756 712355965 /nfs/dbraw/zinc/35/59/65/712355965.db2.gz SBHWSBNJWCDJSR-SKDRFNHKSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](O)c1ccccc1 ZINC000701151377 712356013 /nfs/dbraw/zinc/35/60/13/712356013.db2.gz MNTYXDAXAJLTRU-GFCCVEGCSA-N 1 2 245.282 1.068 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1cnc[nH]1 ZINC000378756110 712360687 /nfs/dbraw/zinc/36/06/87/712360687.db2.gz YDYZBNUOJBZEGO-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795239 712449199 /nfs/dbraw/zinc/44/91/99/712449199.db2.gz IKIIZWDGVYJWBT-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795239 712449201 /nfs/dbraw/zinc/44/92/01/712449201.db2.gz IKIIZWDGVYJWBT-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712797724 712449318 /nfs/dbraw/zinc/44/93/18/712449318.db2.gz UFTALAKSXHEVCC-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712797724 712449319 /nfs/dbraw/zinc/44/93/19/712449319.db2.gz UFTALAKSXHEVCC-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO c1cn(Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000713590543 712466314 /nfs/dbraw/zinc/46/63/14/712466314.db2.gz WZSBLQUKOOWSAM-UHFFFAOYSA-N 1 2 216.240 1.703 20 0 BDADLO COC(=O)C1(O)C[NH+](C[C@H](C)c2ccccc2)C1 ZINC000714504978 712492754 /nfs/dbraw/zinc/49/27/54/712492754.db2.gz XAHNZOVCOKZCRS-NSHDSACASA-N 1 2 249.310 1.010 20 0 BDADLO OCc1cc[nH+]c(N2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000715422326 712518345 /nfs/dbraw/zinc/51/83/45/712518345.db2.gz LXAYZGGIBBCFEP-DTORHVGOSA-N 1 2 226.226 1.275 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000037102671 712539058 /nfs/dbraw/zinc/53/90/58/712539058.db2.gz ZIMPCZHPYKXCGW-IVZWLZJFSA-N 1 2 231.361 1.669 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc(C)n[nH]2)nn1 ZINC000716464144 712563046 /nfs/dbraw/zinc/56/30/46/712563046.db2.gz PTTFYLXTQHCVMK-UHFFFAOYSA-N 1 2 234.307 1.009 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000854985137 712614543 /nfs/dbraw/zinc/61/45/43/712614543.db2.gz SDFYKNKEWZFIEW-VHSXEESVSA-N 1 2 219.288 1.257 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000717231615 712640645 /nfs/dbraw/zinc/64/06/45/712640645.db2.gz YPQYMWKTGJOKGK-QCNRFFRDSA-N 1 2 233.315 1.626 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1c[nH]nc1C ZINC000380183559 712706534 /nfs/dbraw/zinc/70/65/34/712706534.db2.gz GMUXQQCNCQZDFJ-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1c[nH]nc1C ZINC000380183559 712706536 /nfs/dbraw/zinc/70/65/36/712706536.db2.gz GMUXQQCNCQZDFJ-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO Clc1cnc(C[NH2+][C@]23C[C@H]2COC3)s1 ZINC000718009379 712736148 /nfs/dbraw/zinc/73/61/48/712736148.db2.gz RCUOIGWDQAYJMY-RCOVLWMOSA-N 1 2 230.720 1.675 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720789650 712866152 /nfs/dbraw/zinc/86/61/52/712866152.db2.gz TVWWAMSMIACDKD-SRVKXCTJSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720789650 712866153 /nfs/dbraw/zinc/86/61/53/712866153.db2.gz TVWWAMSMIACDKD-SRVKXCTJSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)C(=O)OC ZINC000720844386 712869918 /nfs/dbraw/zinc/86/99/18/712869918.db2.gz ZCXBTMCMGWJIHY-RHYQMDGZSA-N 1 2 241.331 1.485 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001203206906 959416313 /nfs/dbraw/zinc/41/63/13/959416313.db2.gz YFFURMZTTISYRM-JQWIXIFHSA-N 1 2 220.320 1.959 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001203206906 959416338 /nfs/dbraw/zinc/41/63/38/959416338.db2.gz YFFURMZTTISYRM-JQWIXIFHSA-N 1 2 220.320 1.959 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csnn2)CC[C@H]1O ZINC001140992792 960164902 /nfs/dbraw/zinc/16/49/02/960164902.db2.gz XYJITCDPIOJYGH-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csnn2)CC[C@H]1O ZINC001140992792 960164911 /nfs/dbraw/zinc/16/49/11/960164911.db2.gz XYJITCDPIOJYGH-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1cc(Cl)ccc1N)C1COC1 ZINC001140717469 960526212 /nfs/dbraw/zinc/52/62/12/960526212.db2.gz ZDWVXTLVMBZDFD-UHFFFAOYSA-N 1 2 226.707 1.753 20 0 BDADLO C[N@@H+](Cc1cc(Cl)ccc1N)C1COC1 ZINC001140717469 960526229 /nfs/dbraw/zinc/52/62/29/960526229.db2.gz ZDWVXTLVMBZDFD-UHFFFAOYSA-N 1 2 226.707 1.753 20 0 BDADLO CC[NH2+]Cc1noc([C@H](OC)C2CCC2)n1 ZINC000692735512 960548563 /nfs/dbraw/zinc/54/85/63/960548563.db2.gz LIDALTBTPGYATB-SNVBAGLBSA-N 1 2 225.292 1.667 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)n[nH]1 ZINC001203069892 960613749 /nfs/dbraw/zinc/61/37/49/960613749.db2.gz DRAAEVFYUKDJLI-MNOVXSKESA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)n[nH]1 ZINC001203069892 960613756 /nfs/dbraw/zinc/61/37/56/960613756.db2.gz DRAAEVFYUKDJLI-MNOVXSKESA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)n[nH]1 ZINC001203069762 960615103 /nfs/dbraw/zinc/61/51/03/960615103.db2.gz CQLNLAFOYWJPHR-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)n[nH]1 ZINC001203069762 960615117 /nfs/dbraw/zinc/61/51/17/960615117.db2.gz CQLNLAFOYWJPHR-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)n[nH]1 ZINC001203070180 960626299 /nfs/dbraw/zinc/62/62/99/960626299.db2.gz JTAQDDPGNFKUGU-CABZTGNLSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)n[nH]1 ZINC001203070180 960626313 /nfs/dbraw/zinc/62/63/13/960626313.db2.gz JTAQDDPGNFKUGU-CABZTGNLSA-N 1 2 223.320 1.311 20 0 BDADLO C[C@@H]([NH2+]Cc1ccncc1)c1nncn1C ZINC000037016818 960646820 /nfs/dbraw/zinc/64/68/20/960646820.db2.gz CRQAHXDWHCAWFP-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO c1coc(C[NH+]2CCC3(CC2)OCCO3)n1 ZINC001141004252 960801886 /nfs/dbraw/zinc/80/18/86/960801886.db2.gz YRXQGWWAKLNXGD-UHFFFAOYSA-N 1 2 224.260 1.014 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cn[nH]c2)C[C@H]1F ZINC001203086123 960806079 /nfs/dbraw/zinc/80/60/79/960806079.db2.gz KFZDBDUCWCWRAK-ZJUUUORDSA-N 1 2 215.247 1.682 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cn[nH]c2)C[C@H]1F ZINC001203086123 960806081 /nfs/dbraw/zinc/80/60/81/960806081.db2.gz KFZDBDUCWCWRAK-ZJUUUORDSA-N 1 2 215.247 1.682 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ocnc1C ZINC001141053942 960848594 /nfs/dbraw/zinc/84/85/94/960848594.db2.gz UNOIRPHZFWDSMK-NSHDSACASA-N 1 2 222.288 1.927 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ocnc1C ZINC001141053942 960848611 /nfs/dbraw/zinc/84/86/11/960848611.db2.gz UNOIRPHZFWDSMK-NSHDSACASA-N 1 2 222.288 1.927 20 0 BDADLO CCCCc1[nH]cc(CN(CC)C2COC2)[nH+]1 ZINC001141072391 960857247 /nfs/dbraw/zinc/85/72/47/960857247.db2.gz VHYAFFLPUGFSOA-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO Cc1ccc(CN2C[C@@H](F)[C@H](F)C2)c(N)[nH+]1 ZINC000714564321 964222328 /nfs/dbraw/zinc/22/23/28/964222328.db2.gz MSFFADQWWIRKNI-NXEZZACHSA-N 1 2 227.258 1.464 20 0 BDADLO COc1cc(C)c[nH+]c1N(C)CC1(C)COC1 ZINC001166711100 966374552 /nfs/dbraw/zinc/37/45/52/966374552.db2.gz MGGDIHVMFRHUIK-UHFFFAOYSA-N 1 2 236.315 1.871 20 0 BDADLO FC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001204008901 966846868 /nfs/dbraw/zinc/84/68/68/966846868.db2.gz LPVXAVZDSOLWDY-CLYYMRHHSA-N 1 2 224.279 1.716 20 0 BDADLO FC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001204008901 966846870 /nfs/dbraw/zinc/84/68/70/966846870.db2.gz LPVXAVZDSOLWDY-CLYYMRHHSA-N 1 2 224.279 1.716 20 0 BDADLO CCn1nccc1Nc1[nH+]cc(C)cc1N ZINC001205274900 967466607 /nfs/dbraw/zinc/46/66/07/967466607.db2.gz VTFGUDMSSURPIO-UHFFFAOYSA-N 1 2 217.276 1.932 20 0 BDADLO COCCOc1cc(NCC(F)F)cc[nH+]1 ZINC001161817600 967658082 /nfs/dbraw/zinc/65/80/82/967658082.db2.gz UPBMSDDGGWATFY-UHFFFAOYSA-N 1 2 232.230 1.784 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)cc(C)n1 ZINC001205548538 967689464 /nfs/dbraw/zinc/68/94/64/967689464.db2.gz WZUPSWHCEJHSRQ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)cc(C)n1 ZINC001205548538 967689489 /nfs/dbraw/zinc/68/94/89/967689489.db2.gz WZUPSWHCEJHSRQ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1nc(N2CC=CC2)c2c([nH+]1)CCC2 ZINC001163918926 968138332 /nfs/dbraw/zinc/13/83/32/968138332.db2.gz TWLSSMLRFFOEKS-UHFFFAOYSA-N 1 2 201.273 1.650 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206238969 968162843 /nfs/dbraw/zinc/16/28/43/968162843.db2.gz XOWVNPBAIYFODB-VIFPVBQESA-N 1 2 249.236 1.449 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206238969 968162853 /nfs/dbraw/zinc/16/28/53/968162853.db2.gz XOWVNPBAIYFODB-VIFPVBQESA-N 1 2 249.236 1.449 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCCC1=O ZINC001250964246 968227343 /nfs/dbraw/zinc/22/73/43/968227343.db2.gz HIBSYVZWXIMXHM-VXNVDRBHSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCCC1=O ZINC001250964246 968227347 /nfs/dbraw/zinc/22/73/47/968227347.db2.gz HIBSYVZWXIMXHM-VXNVDRBHSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H](CCO)Nc1ccc2c([nH+]1)CCOC2 ZINC001165867467 968296302 /nfs/dbraw/zinc/29/63/02/968296302.db2.gz OYOCVEYZKJOZSN-SECBINFHSA-N 1 2 222.288 1.337 20 0 BDADLO CC[C@@H](O)C[NH+]1CC(Oc2ccccc2F)C1 ZINC001251778074 968319487 /nfs/dbraw/zinc/31/94/87/968319487.db2.gz QRBKVDFXYGNJLL-SNVBAGLBSA-N 1 2 239.290 1.660 20 0 BDADLO CCCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252082878 968503580 /nfs/dbraw/zinc/50/35/80/968503580.db2.gz KRJIPNOQJYAXMS-DCAQKATOSA-N 1 2 221.291 1.919 20 0 BDADLO CCCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252082878 968503584 /nfs/dbraw/zinc/50/35/84/968503584.db2.gz KRJIPNOQJYAXMS-DCAQKATOSA-N 1 2 221.291 1.919 20 0 BDADLO FC(F)[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001207015434 968549564 /nfs/dbraw/zinc/54/95/64/968549564.db2.gz SJFNIWKEGKUNEV-VIFPVBQESA-N 1 2 227.258 1.954 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001207015434 968549572 /nfs/dbraw/zinc/54/95/72/968549572.db2.gz SJFNIWKEGKUNEV-VIFPVBQESA-N 1 2 227.258 1.954 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C1CCC1 ZINC001085451971 968720612 /nfs/dbraw/zinc/72/06/12/968720612.db2.gz FAWQBKPHAGUENM-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)C1CCC1 ZINC001085451971 968720621 /nfs/dbraw/zinc/72/06/21/968720621.db2.gz FAWQBKPHAGUENM-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO CC1(C)C[C@@H](C[NH+]2CC(F)C2)CCO1 ZINC001207353544 968733656 /nfs/dbraw/zinc/73/36/56/968733656.db2.gz NAORWARUKGMNPK-VIFPVBQESA-N 1 2 201.285 1.845 20 0 BDADLO CCCCOC1C[NH+](C[C@@H](O)COC(C)C)C1 ZINC001252674220 968911092 /nfs/dbraw/zinc/91/10/92/968911092.db2.gz GMDCEXIQKKMMEF-GFCCVEGCSA-N 1 2 245.363 1.273 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2(C)CCOCC2)no1 ZINC001207963530 968959366 /nfs/dbraw/zinc/95/93/66/968959366.db2.gz KSLYVXJMHPVKGO-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO Cc1nc(C[N@H+](C)CC2(C)CCOCC2)no1 ZINC001207963530 968959373 /nfs/dbraw/zinc/95/93/73/968959373.db2.gz KSLYVXJMHPVKGO-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1ccns1)C2 ZINC001276588966 969242587 /nfs/dbraw/zinc/24/25/87/969242587.db2.gz DBKPLSCFGGPQQQ-UHFFFAOYSA-N 1 2 209.318 1.033 20 0 BDADLO C[N@H+]1CCC12CN(Cc1ccns1)C2 ZINC001276588966 969242592 /nfs/dbraw/zinc/24/25/92/969242592.db2.gz DBKPLSCFGGPQQQ-UHFFFAOYSA-N 1 2 209.318 1.033 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC001253746476 969364831 /nfs/dbraw/zinc/36/48/31/969364831.db2.gz ZINLBZYSJHWMKD-JTQLQIEISA-N 1 2 243.347 1.469 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253758448 969374434 /nfs/dbraw/zinc/37/44/34/969374434.db2.gz YQAUJLBUQDLLBQ-ZJUUUORDSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253758448 969374439 /nfs/dbraw/zinc/37/44/39/969374439.db2.gz YQAUJLBUQDLLBQ-ZJUUUORDSA-N 1 2 217.284 1.006 20 0 BDADLO C[N@H+](CCCC1OCCO1)CC(F)F ZINC001209314145 969437181 /nfs/dbraw/zinc/43/71/81/969437181.db2.gz UZEJAKIEZROQQY-UHFFFAOYSA-N 1 2 209.236 1.336 20 0 BDADLO C[N@@H+](CCCC1OCCO1)CC(F)F ZINC001209314145 969437189 /nfs/dbraw/zinc/43/71/89/969437189.db2.gz UZEJAKIEZROQQY-UHFFFAOYSA-N 1 2 209.236 1.336 20 0 BDADLO COC1CCC(C[N@@H+]2CCC(=O)C2)CC1 ZINC001209394576 969459141 /nfs/dbraw/zinc/45/91/41/969459141.db2.gz ZTJFYULZZBJMAR-UHFFFAOYSA-N 1 2 211.305 1.466 20 0 BDADLO COC1CCC(C[N@H+]2CCC(=O)C2)CC1 ZINC001209394576 969459152 /nfs/dbraw/zinc/45/91/52/969459152.db2.gz ZTJFYULZZBJMAR-UHFFFAOYSA-N 1 2 211.305 1.466 20 0 BDADLO FC1(F)CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001210224750 969836727 /nfs/dbraw/zinc/83/67/27/969836727.db2.gz GMVDPGLKHZKSBH-JTQLQIEISA-N 1 2 235.274 1.523 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C1CCSCC1 ZINC001255087517 969919443 /nfs/dbraw/zinc/91/94/43/969919443.db2.gz DJWSEUOCSXKOCA-SCZZXKLOSA-N 1 2 247.335 1.467 20 0 BDADLO COC1CCC([N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC001255455736 970183190 /nfs/dbraw/zinc/18/31/90/970183190.db2.gz LDJGQLITCVKLKG-YVNMAJEFSA-N 1 2 249.301 1.646 20 0 BDADLO COC1CCC([N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC001255455736 970183194 /nfs/dbraw/zinc/18/31/94/970183194.db2.gz LDJGQLITCVKLKG-YVNMAJEFSA-N 1 2 249.301 1.646 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H](C)COC)CCCC1 ZINC001255552994 970331047 /nfs/dbraw/zinc/33/10/47/970331047.db2.gz JKHGFXGHFJSMIW-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO O=C1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC001255627093 970406913 /nfs/dbraw/zinc/40/69/13/970406913.db2.gz OKMPSKBHIYMJRG-UHFFFAOYSA-N 1 2 239.315 1.337 20 0 BDADLO O=C1CCC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC001255627093 970406922 /nfs/dbraw/zinc/40/69/22/970406922.db2.gz OKMPSKBHIYMJRG-UHFFFAOYSA-N 1 2 239.315 1.337 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CCNC(=O)C1(C)C ZINC001255658326 970439194 /nfs/dbraw/zinc/43/91/94/970439194.db2.gz QCLAYZQNGAZJJT-SSDOTTSWSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CCNC(=O)C1(C)C ZINC001255658326 970439209 /nfs/dbraw/zinc/43/92/09/970439209.db2.gz QCLAYZQNGAZJJT-SSDOTTSWSA-N 1 2 238.253 1.538 20 0 BDADLO FC1(F)C[C@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173123052 975030915 /nfs/dbraw/zinc/03/09/15/975030915.db2.gz YRDWNOSOESWKBW-IMTBSYHQSA-N 1 2 230.283 1.998 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(F)nc1 ZINC001226696609 975031332 /nfs/dbraw/zinc/03/13/32/975031332.db2.gz CIXRVJMNRLRNST-SNVBAGLBSA-N 1 2 240.278 1.320 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@H](CC)C1 ZINC001173265904 975130054 /nfs/dbraw/zinc/13/00/54/975130054.db2.gz WFXNWVMHIOCVGW-AXFHLTTASA-N 1 2 229.320 1.079 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc(Cl)sn2)C1 ZINC001227374604 975377976 /nfs/dbraw/zinc/37/79/76/975377976.db2.gz WBEAXXWNGVTCRJ-SSDOTTSWSA-N 1 2 248.735 1.506 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc(Cl)sn2)C1 ZINC001227374604 975377990 /nfs/dbraw/zinc/37/79/90/975377990.db2.gz WBEAXXWNGVTCRJ-SSDOTTSWSA-N 1 2 248.735 1.506 20 0 BDADLO C[NH+]1CC(Oc2cn3nc(Cl)ccc3n2)C1 ZINC001228844674 976510249 /nfs/dbraw/zinc/51/02/49/976510249.db2.gz FMUKZPFVNDMVBX-UHFFFAOYSA-N 1 2 238.678 1.076 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001334798879 976683413 /nfs/dbraw/zinc/68/34/13/976683413.db2.gz PBQRGFWOCHKQBO-OUAUKWLOSA-N 1 2 239.315 1.097 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001334798879 976683439 /nfs/dbraw/zinc/68/34/39/976683439.db2.gz PBQRGFWOCHKQBO-OUAUKWLOSA-N 1 2 239.315 1.097 20 0 BDADLO CC[NH+]1CC(Oc2nnc(Cl)cc2C)C1 ZINC001229164811 976778567 /nfs/dbraw/zinc/77/85/67/976778567.db2.gz JNJMMXSSFHZOPH-UHFFFAOYSA-N 1 2 227.695 1.521 20 0 BDADLO C[C@@H](C(=O)N(C)[C@@H]1CCSC1)n1cc[nH+]c1 ZINC001335805401 977294422 /nfs/dbraw/zinc/29/44/22/977294422.db2.gz YQBOLZUOOPLHIQ-VHSXEESVSA-N 1 2 239.344 1.408 20 0 BDADLO CN(C)c1ccc(Nc2ccon2)c[nH+]1 ZINC001175337284 977382546 /nfs/dbraw/zinc/38/25/46/977382546.db2.gz AZUWYAZJGWHPJP-UHFFFAOYSA-N 1 2 204.233 1.879 20 0 BDADLO C[N@@H+]1CC[C@@H](C(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC001336070898 977476444 /nfs/dbraw/zinc/47/64/44/977476444.db2.gz AZCIVCZVMXYWDR-ABKXIKBNSA-N 1 2 246.376 1.361 20 0 BDADLO C[N@H+]1CC[C@@H](C(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC001336070898 977476462 /nfs/dbraw/zinc/47/64/62/977476462.db2.gz AZCIVCZVMXYWDR-ABKXIKBNSA-N 1 2 246.376 1.361 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C(F)F ZINC001336289002 977618470 /nfs/dbraw/zinc/61/84/70/977618470.db2.gz GOLRLGWRJAQZPO-ZETCQYMHSA-N 1 2 229.230 1.208 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(C)nc(C)c2)C[C@@H]1F ZINC001231994996 977828473 /nfs/dbraw/zinc/82/84/73/977828473.db2.gz FDUGNJMIVGEINM-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(C)nc(C)c2)C[C@@H]1F ZINC001231994996 977828478 /nfs/dbraw/zinc/82/84/78/977828478.db2.gz FDUGNJMIVGEINM-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO Cc1scnc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001232202559 977927755 /nfs/dbraw/zinc/92/77/55/977927755.db2.gz CNVGNQRPEXIOLX-PSASIEDQSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1scnc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001232202559 977927784 /nfs/dbraw/zinc/92/77/84/977927784.db2.gz CNVGNQRPEXIOLX-PSASIEDQSA-N 1 2 230.308 1.356 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2ncsc2C)C1 ZINC001232205651 977931677 /nfs/dbraw/zinc/93/16/77/977931677.db2.gz SYFKZPGMWIKGCP-MRVPVSSYSA-N 1 2 226.345 1.918 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+]CC(F)F)cc1 ZINC001336778617 977953371 /nfs/dbraw/zinc/95/33/71/977953371.db2.gz JFXWEDDCEDIZRM-SNVBAGLBSA-N 1 2 215.243 1.883 20 0 BDADLO CNc1cc(N2CCC[C@H]3C[C@H]32)nc[nH+]1 ZINC001336799620 977967672 /nfs/dbraw/zinc/96/76/72/977967672.db2.gz YLEAORZFKNHNOA-DTWKUNHWSA-N 1 2 204.277 1.507 20 0 BDADLO CNc1cc(N2CCC[C@H]3C[C@H]32)[nH+]cn1 ZINC001336799620 977967676 /nfs/dbraw/zinc/96/76/76/977967676.db2.gz YLEAORZFKNHNOA-DTWKUNHWSA-N 1 2 204.277 1.507 20 0 BDADLO COc1ccc(C[N@H+](C)C2COC2)c(C)n1 ZINC001232335246 978010908 /nfs/dbraw/zinc/01/09/08/978010908.db2.gz WIJUMEIMARUOAH-UHFFFAOYSA-N 1 2 222.288 1.229 20 0 BDADLO COc1ccc(C[N@@H+](C)C2COC2)c(C)n1 ZINC001232335246 978010917 /nfs/dbraw/zinc/01/09/17/978010917.db2.gz WIJUMEIMARUOAH-UHFFFAOYSA-N 1 2 222.288 1.229 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)C[C@H]2CF)c[nH+]1 ZINC001232459503 978082277 /nfs/dbraw/zinc/08/22/77/978082277.db2.gz DZMOQWGGXCTRSM-VIFPVBQESA-N 1 2 233.237 1.897 20 0 BDADLO Cc1[nH]cc(CN2CC(F)(F)C[C@H]2CF)[nH+]1 ZINC001232459503 978082287 /nfs/dbraw/zinc/08/22/87/978082287.db2.gz DZMOQWGGXCTRSM-VIFPVBQESA-N 1 2 233.237 1.897 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)C[C@@H]2C)c[nH+]1 ZINC001232460721 978092833 /nfs/dbraw/zinc/09/28/33/978092833.db2.gz UOWPNYMOCJAWRG-QMMMGPOBSA-N 1 2 207.277 1.272 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)C[C@@H]2C)[nH+]1 ZINC001232460721 978092841 /nfs/dbraw/zinc/09/28/41/978092841.db2.gz UOWPNYMOCJAWRG-QMMMGPOBSA-N 1 2 207.277 1.272 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2c2cccs2)C1 ZINC001177542041 978389710 /nfs/dbraw/zinc/38/97/10/978389710.db2.gz AFXANBJODKRVKM-VHSXEESVSA-N 1 2 236.340 1.282 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233446174 978601375 /nfs/dbraw/zinc/60/13/75/978601375.db2.gz KOZSZEGYXCUCLB-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1cncc(Cl)n1 ZINC001233446174 978601381 /nfs/dbraw/zinc/60/13/81/978601381.db2.gz KOZSZEGYXCUCLB-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233449851 978605129 /nfs/dbraw/zinc/60/51/29/978605129.db2.gz VIQGGUJQVVGRPA-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233449851 978605134 /nfs/dbraw/zinc/60/51/34/978605134.db2.gz VIQGGUJQVVGRPA-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO CCOCCc1ccc(N2CCOCC2)[nH+]c1 ZINC001249940362 978738239 /nfs/dbraw/zinc/73/82/39/978738239.db2.gz ZRJQIVDRTZPUEN-UHFFFAOYSA-N 1 2 236.315 1.497 20 0 BDADLO COC/C(C)=C/C[NH2+][C@@H](C)c1nc(C)no1 ZINC001341058532 979211989 /nfs/dbraw/zinc/21/19/89/979211989.db2.gz BQXFKAJWAOAGNV-QRJSTWQJSA-N 1 2 225.292 1.621 20 0 BDADLO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(S)cc1)C2 ZINC001236023106 979317222 /nfs/dbraw/zinc/31/72/22/979317222.db2.gz FZIBCAREZFYCGW-ZYHUDNBSSA-N 1 2 220.341 1.508 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1oc(C)nc1C ZINC001236598988 979673373 /nfs/dbraw/zinc/67/33/73/979673373.db2.gz DVHAGXVOWAHIHF-NSHDSACASA-N 1 2 222.288 1.845 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1oc(C)nc1C ZINC001236598988 979673376 /nfs/dbraw/zinc/67/33/76/979673376.db2.gz DVHAGXVOWAHIHF-NSHDSACASA-N 1 2 222.288 1.845 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CC1OC=CC1=S ZINC001237183511 979834180 /nfs/dbraw/zinc/83/41/80/979834180.db2.gz BCNFESDXJGAGHN-MRVPVSSYSA-N 1 2 240.328 1.231 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CC1OC=CC1=S ZINC001237183511 979834183 /nfs/dbraw/zinc/83/41/83/979834183.db2.gz BCNFESDXJGAGHN-MRVPVSSYSA-N 1 2 240.328 1.231 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCOC[C@H]1C ZINC001237652497 980011860 /nfs/dbraw/zinc/01/18/60/980011860.db2.gz UXNFTVDWZRKLRD-SECBINFHSA-N 1 2 209.293 1.193 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCOC[C@H]1C ZINC001237652497 980011871 /nfs/dbraw/zinc/01/18/71/980011871.db2.gz UXNFTVDWZRKLRD-SECBINFHSA-N 1 2 209.293 1.193 20 0 BDADLO CC(C)N(C(=O)C[C@@H]([NH3+])C(F)F)C1CCC1 ZINC001343293952 980059214 /nfs/dbraw/zinc/05/92/14/980059214.db2.gz BBOSWENSURVAHB-SECBINFHSA-N 1 2 234.290 1.758 20 0 BDADLO COc1cc(C[NH+](C)C)c(Cl)cn1 ZINC001238361966 980240879 /nfs/dbraw/zinc/24/08/79/980240879.db2.gz SFRWPGDIXSELBZ-UHFFFAOYSA-N 1 2 200.669 1.805 20 0 BDADLO Cc1cnc(C[N@@H+](C)C2COC2)c(C)c1 ZINC001238431870 980258872 /nfs/dbraw/zinc/25/88/72/980258872.db2.gz IRFCQQUHFIGODZ-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO Cc1cnc(C[N@H+](C)C2COC2)c(C)c1 ZINC001238431870 980258881 /nfs/dbraw/zinc/25/88/81/980258881.db2.gz IRFCQQUHFIGODZ-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnc(F)c(OC)c1 ZINC001238453599 980265352 /nfs/dbraw/zinc/26/53/52/980265352.db2.gz ACSWLIBGGXIIQQ-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnc(F)c(OC)c1 ZINC001238453599 980265369 /nfs/dbraw/zinc/26/53/69/980265369.db2.gz ACSWLIBGGXIIQQ-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO CCC1C[NH+](Cc2c(Cl)nc(OC)n2C)C1 ZINC001344437865 980397644 /nfs/dbraw/zinc/39/76/44/980397644.db2.gz JXFDGLDTKZEITA-UHFFFAOYSA-N 1 2 243.738 1.924 20 0 BDADLO CO[C@@H](C)CC(=O)OCCCc1c[nH+]cn1C ZINC001344917449 980499115 /nfs/dbraw/zinc/49/91/15/980499115.db2.gz TXHSXVFQLUYSLJ-JTQLQIEISA-N 1 2 240.303 1.321 20 0 BDADLO CCN(C(=O)c1cc[nH]c1C)C1C[NH+](C)C1 ZINC001188159478 980621862 /nfs/dbraw/zinc/62/18/62/980621862.db2.gz HWRXFRZIOMJRNW-UHFFFAOYSA-N 1 2 221.304 1.099 20 0 BDADLO C[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001346845348 980920386 /nfs/dbraw/zinc/92/03/86/980920386.db2.gz BRLLPFRYRBNCGO-JTQLQIEISA-N 1 2 221.304 1.364 20 0 BDADLO CCN(C(=O)c1ccsc1C)C1C[NH+](C)C1 ZINC001193376021 981309441 /nfs/dbraw/zinc/30/94/41/981309441.db2.gz OVFUYAIBKLFGBP-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO CCN(OC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001348366003 981344385 /nfs/dbraw/zinc/34/43/85/981344385.db2.gz CGPGUQNUQGRLMV-UHFFFAOYSA-N 1 2 225.292 1.337 20 0 BDADLO CC[C@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001348626820 981410104 /nfs/dbraw/zinc/41/01/04/981410104.db2.gz QSFYSXNFUITLCH-JTQLQIEISA-N 1 2 224.304 1.942 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)OCCF ZINC001194993291 982022817 /nfs/dbraw/zinc/02/28/17/982022817.db2.gz RXPYDLFQMVXWHN-UHFFFAOYSA-N 1 2 241.266 1.804 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001195156102 982143024 /nfs/dbraw/zinc/14/30/24/982143024.db2.gz FWWPCYNMCLLKSY-MNOVXSKESA-N 1 2 246.326 1.945 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001195156102 982143034 /nfs/dbraw/zinc/14/30/34/982143034.db2.gz FWWPCYNMCLLKSY-MNOVXSKESA-N 1 2 246.326 1.945 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001351672957 982354772 /nfs/dbraw/zinc/35/47/72/982354772.db2.gz YATRGTXIOCUUGR-CKEKPRIKSA-N 1 2 239.319 1.658 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)CC(C)(C)O1 ZINC000082426720 983071515 /nfs/dbraw/zinc/07/15/15/983071515.db2.gz ZEVWIGNQHNMJON-MRVPVSSYSA-N 1 2 222.292 1.063 20 0 BDADLO Nc1cc(N2CCCCCCC2)[nH+]cn1 ZINC000082427810 983071850 /nfs/dbraw/zinc/07/18/50/983071850.db2.gz AREQYBZXIGXZNC-UHFFFAOYSA-N 1 2 206.293 1.829 20 0 BDADLO Cc1nn(C)c(C)c1Nc1ccc(N)[nH+]c1 ZINC001201272384 983173517 /nfs/dbraw/zinc/17/35/17/983173517.db2.gz MJDFIYURZOKBSU-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC001592705947 983195602 /nfs/dbraw/zinc/19/56/02/983195602.db2.gz HYMKUZTWINLRJS-OUAUKWLOSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC001592705947 983195607 /nfs/dbraw/zinc/19/56/07/983195607.db2.gz HYMKUZTWINLRJS-OUAUKWLOSA-N 1 2 240.347 1.312 20 0 BDADLO CCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201700573 983411077 /nfs/dbraw/zinc/41/10/77/983411077.db2.gz RHISGYOQDYBQLO-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201700573 983411082 /nfs/dbraw/zinc/41/10/82/983411082.db2.gz RHISGYOQDYBQLO-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO C[NH+]1CC(Oc2[nH]c(=S)ncc2C2CC2)C1 ZINC001226117648 974800194 /nfs/dbraw/zinc/80/01/94/974800194.db2.gz SSCYHBTUIYHTGM-UHFFFAOYSA-N 1 2 237.328 1.336 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@]2(C)C[C@@H]3C=C[C@H]2C3)C1 ZINC001144284305 972739835 /nfs/dbraw/zinc/73/98/35/972739835.db2.gz PZSAAVXNFFHXEI-NRUUGDAUSA-N 1 2 220.316 1.019 20 0 BDADLO Oc1cc(F)c(C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC001144541685 972863483 /nfs/dbraw/zinc/86/34/83/972863483.db2.gz JXESPKPVBWBKOC-SSDOTTSWSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1cc(F)c(C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC001144541685 972863494 /nfs/dbraw/zinc/86/34/94/972863494.db2.gz JXESPKPVBWBKOC-SSDOTTSWSA-N 1 2 229.226 1.237 20 0 BDADLO CCC[C@]1(COC)CCC[N@@H+]1Cc1nnc[nH]1 ZINC001328410802 973035165 /nfs/dbraw/zinc/03/51/65/973035165.db2.gz WEMWZIRBYKJZRG-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[C@]1(COC)CCC[N@H+]1Cc1nnc[nH]1 ZINC001328410802 973035173 /nfs/dbraw/zinc/03/51/73/973035173.db2.gz WEMWZIRBYKJZRG-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CC[N@H+](CC(=O)OC(C)C)[C@H]1CCCOC1 ZINC000402615134 970811426 /nfs/dbraw/zinc/81/14/26/970811426.db2.gz RDICJRHGHXKOPD-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)C)[C@H]1CCCOC1 ZINC000402615134 970811433 /nfs/dbraw/zinc/81/14/33/970811433.db2.gz RDICJRHGHXKOPD-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO Cc1coc(C)c1C(=O)NCCc1cn(C)c[nH+]1 ZINC001129538630 970853760 /nfs/dbraw/zinc/85/37/60/970853760.db2.gz SVEQYILEVGVXMO-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001256532253 970855212 /nfs/dbraw/zinc/85/52/12/970855212.db2.gz IFWCJERTDMKMPU-IJLUTSLNSA-N 1 2 235.331 1.997 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001256619238 970885231 /nfs/dbraw/zinc/88/52/31/970885231.db2.gz WHQPDDGCPDQNGV-HTQZYQBOSA-N 1 2 204.233 1.438 20 0 BDADLO Nc1ccc[nH+]c1Nc1ccc(O)c(CO)c1 ZINC001216136140 970950495 /nfs/dbraw/zinc/95/04/95/970950495.db2.gz LYSMUECSSGGYMC-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO CSc1ncc(C)cc1[NH+]=c1nc[nH]n1C ZINC001216239991 970999090 /nfs/dbraw/zinc/99/90/90/970999090.db2.gz WNLVEECQXRKPBR-UHFFFAOYSA-N 1 2 235.316 1.406 20 0 BDADLO C[C@@H]1C[C@@H](N2CC[NH2+]CC(F)(F)C2)C[C@H](C)O1 ZINC001257090393 971101964 /nfs/dbraw/zinc/10/19/64/971101964.db2.gz OQHHWPQFKSALCL-JGPRNRPPSA-N 1 2 248.317 1.483 20 0 BDADLO COCn1cc(Nc2cc(OC)cc[nH+]2)cn1 ZINC001216572014 971125505 /nfs/dbraw/zinc/12/55/05/971125505.db2.gz SPMFIUQNMABPDT-UHFFFAOYSA-N 1 2 234.259 1.634 20 0 BDADLO c1cc(C[NH2+]Cc2cnccn2)sn1 ZINC000404267391 971154166 /nfs/dbraw/zinc/15/41/66/971154166.db2.gz GCAMYRWZZGZACI-UHFFFAOYSA-N 1 2 206.274 1.223 20 0 BDADLO c1cc(C[NH2+][C@H]2CCn3ccnc32)sn1 ZINC000404385344 971158318 /nfs/dbraw/zinc/15/83/18/971158318.db2.gz XGBBMCJVSZVWIL-VIFPVBQESA-N 1 2 220.301 1.574 20 0 BDADLO CCOC(C[N@H+](C)Cc1ccns1)OCC ZINC000404502290 971170726 /nfs/dbraw/zinc/17/07/26/971170726.db2.gz YSBIVWAKNHYTTH-UHFFFAOYSA-N 1 2 244.360 1.974 20 0 BDADLO CCOC(C[N@@H+](C)Cc1ccns1)OCC ZINC000404502290 971170733 /nfs/dbraw/zinc/17/07/33/971170733.db2.gz YSBIVWAKNHYTTH-UHFFFAOYSA-N 1 2 244.360 1.974 20 0 BDADLO CC(C)[NH+]1CC(Nc2nccnc2Cl)C1 ZINC000307736829 971176299 /nfs/dbraw/zinc/17/62/99/971176299.db2.gz STGOMARKKKCZFX-UHFFFAOYSA-N 1 2 226.711 1.635 20 0 BDADLO OCc1cc[nH+]c(N2CCC(F)(F)CC2)c1 ZINC000405028946 971190583 /nfs/dbraw/zinc/19/05/83/971190583.db2.gz AHZWJCGPXQWLFT-UHFFFAOYSA-N 1 2 228.242 1.809 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(F)(F)CC1 ZINC000405061418 971192094 /nfs/dbraw/zinc/19/20/94/971192094.db2.gz OOUQQCFKZHGCRU-UHFFFAOYSA-N 1 2 244.245 1.303 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(F)(F)CC1 ZINC000405061418 971192100 /nfs/dbraw/zinc/19/21/00/971192100.db2.gz OOUQQCFKZHGCRU-UHFFFAOYSA-N 1 2 244.245 1.303 20 0 BDADLO COC(=O)[C@H](C1CC1)[NH+]1CCC(F)(F)CC1 ZINC000405074302 971194285 /nfs/dbraw/zinc/19/42/85/971194285.db2.gz ZUMDNQBAOBYRLR-VIFPVBQESA-N 1 2 233.258 1.669 20 0 BDADLO Nc1cc(N2CCC3(CC3(F)F)CC2)[nH+]cn1 ZINC000405120810 971203152 /nfs/dbraw/zinc/20/31/52/971203152.db2.gz KFQOIVRSVFCAPL-UHFFFAOYSA-N 1 2 240.257 1.684 20 0 BDADLO CC(=O)N[C@H]1C[C@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001170585594 971279137 /nfs/dbraw/zinc/27/91/37/971279137.db2.gz RKOHGNTXMZHNPI-HAQNSBGRSA-N 1 2 244.298 1.413 20 0 BDADLO CCCCCC[C@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257360194 971274342 /nfs/dbraw/zinc/27/43/42/971274342.db2.gz LMSHZPFZAGUNEU-WDEREUQCSA-N 1 2 231.336 1.469 20 0 BDADLO CC[C@@H]([NH2+]CCSC)c1noc(C)n1 ZINC000308723689 971289053 /nfs/dbraw/zinc/28/90/53/971289053.db2.gz FMBRLOGAJILXND-MRVPVSSYSA-N 1 2 215.322 1.782 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccs2)[nH]n1 ZINC000308737275 971291630 /nfs/dbraw/zinc/29/16/30/971291630.db2.gz MFNWXVOUNHIROO-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO CCCCOC(=O)CC[C@H](C)[NH+]1CC(O)C1 ZINC001257394231 971296506 /nfs/dbraw/zinc/29/65/06/971296506.db2.gz YLDCVMMJEIVRTR-JTQLQIEISA-N 1 2 229.320 1.175 20 0 BDADLO CO[C@H]1CCC[C@H]([NH2+]CC(=O)OC(C)C)C1 ZINC000308758621 971296795 /nfs/dbraw/zinc/29/67/95/971296795.db2.gz COUOWLIKUCMJJX-QWRGUYRKSA-N 1 2 229.320 1.485 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001257409742 971305686 /nfs/dbraw/zinc/30/56/86/971305686.db2.gz LTVMTOIBOXOMLC-VHSXEESVSA-N 1 2 217.309 1.079 20 0 BDADLO OCc1c(F)cccc1-c1cc[nH+]c2c1CCN2 ZINC001244563598 971342910 /nfs/dbraw/zinc/34/29/10/971342910.db2.gz QWUKWZIIKVNBMO-UHFFFAOYSA-N 1 2 244.269 1.991 20 0 BDADLO CC(C)(C)Cc1nnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC001257875971 971515928 /nfs/dbraw/zinc/51/59/28/971515928.db2.gz QQNNTYYWPWOHLK-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)(C)Cc1nnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC001257875971 971515937 /nfs/dbraw/zinc/51/59/37/971515937.db2.gz QQNNTYYWPWOHLK-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cnccn1 ZINC001133453433 971543347 /nfs/dbraw/zinc/54/33/47/971543347.db2.gz UDYLEFTVYYZITH-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO CCN1CC[C@H]([NH+]2CC(F)(C3CC3)C2)CC1=O ZINC001172034553 974305073 /nfs/dbraw/zinc/30/50/73/974305073.db2.gz DNTJVEUBQIOWSJ-NSHDSACASA-N 1 2 240.322 1.431 20 0 BDADLO Cc1cc(=O)cc(O[C@H]2C[NH2+]CC2(F)F)[nH]1 ZINC001218232608 971644304 /nfs/dbraw/zinc/64/43/04/971644304.db2.gz DWBLRNPLFNNWIR-QMMMGPOBSA-N 1 2 230.214 1.082 20 0 BDADLO Nc1ccccc1O[C@H]1C[NH2+]CC(F)(F)C1 ZINC001218276373 971669979 /nfs/dbraw/zinc/66/99/79/971669979.db2.gz RMABENOSPNJQDC-MRVPVSSYSA-N 1 2 228.242 1.645 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1cccnc1 ZINC001225283446 974348434 /nfs/dbraw/zinc/34/84/34/974348434.db2.gz JDTLPDSSIXVMDD-LLVKDONJSA-N 1 2 222.288 1.181 20 0 BDADLO Nc1[nH+]cccc1OC1CCC(O)CC1 ZINC001218364910 971748333 /nfs/dbraw/zinc/74/83/33/971748333.db2.gz NEJXGOONJQENJI-UHFFFAOYSA-N 1 2 208.261 1.346 20 0 BDADLO Oc1cc2c(cc1OC[C@H]1C[C@@H](O)C1)CC[NH+]=C2 ZINC001218435305 971816000 /nfs/dbraw/zinc/81/60/00/971816000.db2.gz TUTOMILAZJJCIO-WVSHTKLVSA-N 1 2 247.294 1.517 20 0 BDADLO Cc1cc(-c2ccnc3c2CC(=O)N3)c[nH+]c1N ZINC001245538475 971851574 /nfs/dbraw/zinc/85/15/74/971851574.db2.gz KRGJZHLNIJXTMB-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(OC)nc1 ZINC001135253473 971856567 /nfs/dbraw/zinc/85/65/67/971856567.db2.gz VGYBRIJMQJKFQN-JTQLQIEISA-N 1 2 235.287 1.123 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(OC)nc1 ZINC001135253473 971856571 /nfs/dbraw/zinc/85/65/71/971856571.db2.gz VGYBRIJMQJKFQN-JTQLQIEISA-N 1 2 235.287 1.123 20 0 BDADLO FC1(F)C[NH2+]CCN([C@H]2CCCOCC2)C1 ZINC001170808226 971866321 /nfs/dbraw/zinc/86/63/21/971866321.db2.gz HRKYSCCPCKCTRS-JTQLQIEISA-N 1 2 234.290 1.096 20 0 BDADLO CO[C@@H]1COCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000309987087 971910773 /nfs/dbraw/zinc/91/07/73/971910773.db2.gz YTRJTFRHNRGHIU-NXEZZACHSA-N 1 2 223.276 1.001 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(F)cc1F ZINC001135583172 971924894 /nfs/dbraw/zinc/92/48/94/971924894.db2.gz KSMIHAURKBIHOQ-UHFFFAOYSA-N 1 2 237.209 1.869 20 0 BDADLO Cn1ccc2cc(NC(=O)C3(F)C[NH2+]C3)ccc21 ZINC001218863029 971953705 /nfs/dbraw/zinc/95/37/05/971953705.db2.gz UYOWFRGETUUXBU-UHFFFAOYSA-N 1 2 247.273 1.428 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001172346913 974615580 /nfs/dbraw/zinc/61/55/80/974615580.db2.gz KOPFPJPGGDNJIK-RFGFWPKPSA-N 1 2 240.391 1.968 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001172346913 974615583 /nfs/dbraw/zinc/61/55/83/974615583.db2.gz KOPFPJPGGDNJIK-RFGFWPKPSA-N 1 2 240.391 1.968 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CCOC[C@@H]2C)c1C(N)=O ZINC001159710611 972087213 /nfs/dbraw/zinc/08/72/13/972087213.db2.gz IIZCFVROOIYYPS-UWVGGRQHSA-N 1 2 249.314 1.326 20 0 BDADLO O=C1CC(C2CC[NH2+]CC2)=NN1CC(F)(F)F ZINC001245916818 972094895 /nfs/dbraw/zinc/09/48/95/972094895.db2.gz AATYZAQDAHBRJN-UHFFFAOYSA-N 1 2 249.236 1.618 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1CCc1ccccc1 ZINC001245927970 972101939 /nfs/dbraw/zinc/10/19/39/972101939.db2.gz XYVHFWKOJHZRFH-UHFFFAOYSA-N 1 2 243.310 1.518 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc(F)cn2)C1 ZINC001225694310 974647343 /nfs/dbraw/zinc/64/73/43/974647343.db2.gz HPHJKHVUAFOALB-UHFFFAOYSA-N 1 2 210.252 1.692 20 0 BDADLO O=C(NCCC1=CCCCC1)C1(F)C[NH2+]C1 ZINC001220253748 972198791 /nfs/dbraw/zinc/19/87/91/972198791.db2.gz BIQZCRYWMNLRRE-UHFFFAOYSA-N 1 2 226.295 1.305 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C2(F)C[NH2+]C2)CC(C)(C)C1 ZINC001220288970 972203687 /nfs/dbraw/zinc/20/36/87/972203687.db2.gz OMBHDDFVEOJPCB-UWVGGRQHSA-N 1 2 242.338 1.629 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001136638313 972219513 /nfs/dbraw/zinc/21/95/13/972219513.db2.gz VWYRJLOLWRWVFK-NWDGAFQWSA-N 1 2 245.326 1.847 20 0 BDADLO CCC(=O)NC[C@H](C)[N@@H+](C)Cc1nocc1C ZINC001282346092 956870748 /nfs/dbraw/zinc/87/07/48/956870748.db2.gz HFRXTDDXOOKRKQ-JTQLQIEISA-N 1 2 239.319 1.330 20 0 BDADLO CCC(=O)NC[C@H](C)[N@H+](C)Cc1nocc1C ZINC001282346092 956870740 /nfs/dbraw/zinc/87/07/40/956870740.db2.gz HFRXTDDXOOKRKQ-JTQLQIEISA-N 1 2 239.319 1.330 20 0 BDADLO O=C(/C=C\[C@H]1CCOC1)OCCn1cc[nH+]c1 ZINC001344869179 956873737 /nfs/dbraw/zinc/87/37/37/956873737.db2.gz NWRWDDMJWIFCAG-BVBSBALXSA-N 1 2 236.271 1.019 20 0 BDADLO OC[C@H]1C[N@H+](CCC2CC2)CC(F)(F)C1 ZINC001208679729 957115938 /nfs/dbraw/zinc/11/59/38/957115938.db2.gz SOAQGYXDMJZXKZ-SNVBAGLBSA-N 1 2 219.275 1.736 20 0 BDADLO OC[C@H]1C[N@@H+](CCC2CC2)CC(F)(F)C1 ZINC001208679729 957115948 /nfs/dbraw/zinc/11/59/48/957115948.db2.gz SOAQGYXDMJZXKZ-SNVBAGLBSA-N 1 2 219.275 1.736 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1Cc2cnc(C)cc2C1 ZINC001208720593 957138201 /nfs/dbraw/zinc/13/82/01/957138201.db2.gz HIZNIBNRFJZMRL-SECBINFHSA-N 1 2 234.299 1.515 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1Cc2cnc(C)cc2C1 ZINC001208720593 957138211 /nfs/dbraw/zinc/13/82/11/957138211.db2.gz HIZNIBNRFJZMRL-SECBINFHSA-N 1 2 234.299 1.515 20 0 BDADLO C/C(=C\c1ccco1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001136817852 972265691 /nfs/dbraw/zinc/26/56/91/972265691.db2.gz CTHCFDQRFIBZNI-MDZDMXLPSA-N 1 2 245.282 1.765 20 0 BDADLO CCCCCN1CC[NH+](CCCO)CC1 ZINC000089988831 957470040 /nfs/dbraw/zinc/47/00/40/957470040.db2.gz PNQOEVRGIGYVSU-UHFFFAOYSA-N 1 2 214.353 1.177 20 0 BDADLO c1ncc(C[N@@H+]2CCc3cnccc3C2)[nH]1 ZINC001136864853 972277059 /nfs/dbraw/zinc/27/70/59/972277059.db2.gz KFUJIGUGTOMGGN-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1ncc(C[N@H+]2CCc3cnccc3C2)[nH]1 ZINC001136864853 972277062 /nfs/dbraw/zinc/27/70/62/972277062.db2.gz KFUJIGUGTOMGGN-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1cccc2c1OCC2 ZINC000693171467 957785686 /nfs/dbraw/zinc/78/56/86/957785686.db2.gz CPNXCACHXGVQJC-UHFFFAOYSA-N 1 2 244.298 1.040 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048065 957840494 /nfs/dbraw/zinc/84/04/94/957840494.db2.gz GHHFYTDMMNEZHX-LBPRGKRZSA-N 1 2 245.326 1.803 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048065 957840495 /nfs/dbraw/zinc/84/04/95/957840495.db2.gz GHHFYTDMMNEZHX-LBPRGKRZSA-N 1 2 245.326 1.803 20 0 BDADLO CN(Cc1ccc(C(N)=O)cc1)c1cccc[nH+]1 ZINC000047938587 957918787 /nfs/dbraw/zinc/91/87/87/957918787.db2.gz LKAJOYOOSRKTRE-UHFFFAOYSA-N 1 2 241.294 1.817 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@H]1C ZINC001136955848 972303652 /nfs/dbraw/zinc/30/36/52/972303652.db2.gz PWYZVGPPPYLMEW-GXSJLCMTSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2nccnc2C)o1 ZINC000398000041 957958413 /nfs/dbraw/zinc/95/84/13/957958413.db2.gz UTQXSMYGGFUDKF-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO CCN1CC[C@@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC000398062579 958025923 /nfs/dbraw/zinc/02/59/23/958025923.db2.gz MZYCOPIQWQRQEE-ZJUUUORDSA-N 1 2 218.291 1.858 20 0 BDADLO C[C@@H]1CCCN(c2cc(N)nc[nH+]2)[C@@H]1C ZINC000087826458 958051418 /nfs/dbraw/zinc/05/14/18/958051418.db2.gz QRXMHKHVCAMZBO-RKDXNWHRSA-N 1 2 206.293 1.684 20 0 BDADLO C[C@@H](Nc1cc(N)nc[nH+]1)c1csnn1 ZINC000398289147 958189879 /nfs/dbraw/zinc/18/98/79/958189879.db2.gz HOULABRNGQYLAG-RXMQYKEDSA-N 1 2 222.277 1.083 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)n1 ZINC001207162994 958267473 /nfs/dbraw/zinc/26/74/73/958267473.db2.gz ICQZAYQISGJTHS-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccc(C[N@H+]2CCC(=O)[C@H](C)CC2)n1 ZINC001207162994 958267485 /nfs/dbraw/zinc/26/74/85/958267485.db2.gz ICQZAYQISGJTHS-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3ccncn3)C2)C1 ZINC001140348246 958271773 /nfs/dbraw/zinc/27/17/73/958271773.db2.gz PBFDKHQEEYYGOR-SECBINFHSA-N 1 2 239.319 1.506 20 0 BDADLO C[N@H+]1CCO[C@@H](CSc2nccnc2F)C1 ZINC000402592153 958280333 /nfs/dbraw/zinc/28/03/33/958280333.db2.gz MGGNKJDTNFFHBZ-MRVPVSSYSA-N 1 2 243.307 1.038 20 0 BDADLO C[N@@H+]1CCO[C@@H](CSc2nccnc2F)C1 ZINC000402592153 958280322 /nfs/dbraw/zinc/28/03/22/958280322.db2.gz MGGNKJDTNFFHBZ-MRVPVSSYSA-N 1 2 243.307 1.038 20 0 BDADLO CCC[C@@H](CC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246464666 972340858 /nfs/dbraw/zinc/34/08/58/972340858.db2.gz SHUFYULGTJLHCW-RKDXNWHRSA-N 1 2 206.280 1.762 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@@H]1CNCC1(F)F ZINC001246464666 972340863 /nfs/dbraw/zinc/34/08/63/972340863.db2.gz SHUFYULGTJLHCW-RKDXNWHRSA-N 1 2 206.280 1.762 20 0 BDADLO C[C@H](C(=O)Nc1cncc(F)c1)n1cc[nH+]c1 ZINC001326995169 972359490 /nfs/dbraw/zinc/35/94/90/972359490.db2.gz BSAMAAXXEXFYTL-MRVPVSSYSA-N 1 2 234.234 1.617 20 0 BDADLO CCOc1ccc[nH+]c1N[C@H]1C[C@@H](CO)C1 ZINC000707578542 958587158 /nfs/dbraw/zinc/58/71/58/958587158.db2.gz IUVFJONSFVOBMA-AOOOYVTPSA-N 1 2 222.288 1.663 20 0 BDADLO CCCCOC(=O)[C@H](C)OCCn1cc[nH+]c1 ZINC001222134917 972374262 /nfs/dbraw/zinc/37/42/62/972374262.db2.gz RVYFIBLNXBRPCN-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO Nc1cc(CNc2cccc(O)c2)cc[nH+]1 ZINC000259068460 958840920 /nfs/dbraw/zinc/84/09/20/958840920.db2.gz CJOXCLBBUKSPEB-UHFFFAOYSA-N 1 2 215.256 1.982 20 0 BDADLO CCC[C@H](OCCn1cc[nH+]c1)C(=O)OCC ZINC001222134867 972381100 /nfs/dbraw/zinc/38/11/00/972381100.db2.gz QQCRWSFXDOVBFT-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@H+](Cc2cnsn2)C1 ZINC001327052084 972381482 /nfs/dbraw/zinc/38/14/82/972381482.db2.gz IPMREHAJUHHMDB-NSHDSACASA-N 1 2 241.360 1.379 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cnsn2)C1 ZINC001327052084 972381490 /nfs/dbraw/zinc/38/14/90/972381490.db2.gz IPMREHAJUHHMDB-NSHDSACASA-N 1 2 241.360 1.379 20 0 BDADLO O=C1CC[C@@H](Nc2ccc(C3CC3)c[nH+]2)C(=O)N1 ZINC001167572463 958894963 /nfs/dbraw/zinc/89/49/63/958894963.db2.gz FAEJJVZTAKJODJ-SNVBAGLBSA-N 1 2 245.282 1.176 20 0 BDADLO c1cn(CCO[C@H]2COc3cnccc32)c[nH+]1 ZINC001222139710 972388798 /nfs/dbraw/zinc/38/87/98/972388798.db2.gz UUIRLQORODCCJN-LBPRGKRZSA-N 1 2 231.255 1.428 20 0 BDADLO Nc1cc(CNc2nccc3nc[nH]c32)cc[nH+]1 ZINC001167614485 959069414 /nfs/dbraw/zinc/06/94/14/959069414.db2.gz SMQMANOVPQSRDB-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO Nc1cc(CNc2cccc3n[nH]nc32)cc[nH+]1 ZINC001167616352 959081933 /nfs/dbraw/zinc/08/19/33/959081933.db2.gz HJAZXMZUZXQAPG-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO Nc1cc(CNc2cccc3[nH]nnc32)cc[nH+]1 ZINC001167616352 959081946 /nfs/dbraw/zinc/08/19/46/959081946.db2.gz HJAZXMZUZXQAPG-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO Nc1cc(CNc2c(F)ccnc2N)cc[nH+]1 ZINC001167617288 959083994 /nfs/dbraw/zinc/08/39/94/959083994.db2.gz KHQISIYPRCPMLE-UHFFFAOYSA-N 1 2 233.250 1.392 20 0 BDADLO Nc1cccc(NCc2cc[nH+]c(N)c2)c1 ZINC001167618367 959090345 /nfs/dbraw/zinc/09/03/45/959090345.db2.gz HVFKRAAEAHHGHP-UHFFFAOYSA-N 1 2 214.272 1.858 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724707286 959223816 /nfs/dbraw/zinc/22/38/16/959223816.db2.gz AVQHLTHFIIUJMZ-PRJMDXOYSA-N 1 2 220.263 1.274 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724707280 959226767 /nfs/dbraw/zinc/22/67/67/959226767.db2.gz AVQHLTHFIIUJMZ-BWZBUEFSSA-N 1 2 220.263 1.274 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)sn1 ZINC000404418086 959260063 /nfs/dbraw/zinc/26/00/63/959260063.db2.gz HDZAXECCOUBRTK-UHFFFAOYSA-N 1 2 220.301 1.584 20 0 BDADLO CCC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001143959928 972430129 /nfs/dbraw/zinc/43/01/29/972430129.db2.gz FVZOYYIEFAUVJV-UHFFFAOYSA-N 1 2 235.287 1.095 20 0 BDADLO CCC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001143959928 972430135 /nfs/dbraw/zinc/43/01/35/972430135.db2.gz FVZOYYIEFAUVJV-UHFFFAOYSA-N 1 2 235.287 1.095 20 0 BDADLO C/C=C(\C)C(=O)NCCc1[nH+]ccn1C ZINC001143951608 972440922 /nfs/dbraw/zinc/44/09/22/972440922.db2.gz SBLBNFYDRMSTOP-RUDMXATFSA-N 1 2 207.277 1.045 20 0 BDADLO O=C([O-])c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000212816189 959716612 /nfs/dbraw/zinc/71/66/12/959716612.db2.gz WJZIXLQMVGATJA-LBPRGKRZSA-N 1 2 234.299 1.226 20 0 BDADLO C/C=C/C=C/C(=O)NCc1c[nH+]cn1CCOC ZINC001144004701 972454012 /nfs/dbraw/zinc/45/40/12/972454012.db2.gz CAEDHAITDWHECK-VNKDHWASSA-N 1 2 249.314 1.278 20 0 BDADLO CNc1cc(N2CCO[C@](C)(C3CC3)C2)nc[nH+]1 ZINC000694892758 960027213 /nfs/dbraw/zinc/02/72/13/960027213.db2.gz MOCIJVHFVAVNIX-ZDUSSCGKSA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CCO[C@](C)(C3CC3)C2)[nH+]cn1 ZINC000694892758 960027216 /nfs/dbraw/zinc/02/72/16/960027216.db2.gz MOCIJVHFVAVNIX-ZDUSSCGKSA-N 1 2 248.330 1.524 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000695140612 960113832 /nfs/dbraw/zinc/11/38/32/960113832.db2.gz ASFAQHBXPFORJY-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000695140612 960113841 /nfs/dbraw/zinc/11/38/41/960113841.db2.gz ASFAQHBXPFORJY-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO C[C@H]1CC[N@H+](Cc2csnn2)CC[C@H]1O ZINC001140992794 960163112 /nfs/dbraw/zinc/16/31/12/960163112.db2.gz XYJITCDPIOJYGH-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2csnn2)CC[C@H]1O ZINC001140992794 960163113 /nfs/dbraw/zinc/16/31/13/960163113.db2.gz XYJITCDPIOJYGH-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nnc(C[NH2+]CCN2CC[C@H](C)C2)s1 ZINC000692528111 960266730 /nfs/dbraw/zinc/26/67/30/960266730.db2.gz KQBGJSYKCKDUNF-VIFPVBQESA-N 1 2 240.376 1.278 20 0 BDADLO CC[NH2+][C@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001267805243 960380792 /nfs/dbraw/zinc/38/07/92/960380792.db2.gz OKLNCYSTQBKFKS-RNFRBKRXSA-N 1 2 244.232 1.391 20 0 BDADLO CC[NH2+][C@H](CC)CNC(=O)[C@@H](F)C(F)(F)F ZINC001267805243 960380806 /nfs/dbraw/zinc/38/08/06/960380806.db2.gz OKLNCYSTQBKFKS-RNFRBKRXSA-N 1 2 244.232 1.391 20 0 BDADLO CC(C)(CCO)Nc1ccc2c([nH+]1)CCOC2 ZINC001167741377 960396108 /nfs/dbraw/zinc/39/61/08/960396108.db2.gz RVSGAELMFRCLJL-UHFFFAOYSA-N 1 2 236.315 1.727 20 0 BDADLO C[C@H](C[N@H+](CC[NH3+])Cc1ccccc1)C(=O)[O-] ZINC000235439694 960435153 /nfs/dbraw/zinc/43/51/53/960435153.db2.gz PKFGBRQUKUCZSZ-LLVKDONJSA-N 1 2 236.315 1.168 20 0 BDADLO C[C@H](C[N@@H+](CC[NH3+])Cc1ccccc1)C(=O)[O-] ZINC000235439694 960435167 /nfs/dbraw/zinc/43/51/67/960435167.db2.gz PKFGBRQUKUCZSZ-LLVKDONJSA-N 1 2 236.315 1.168 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(CO)o2)CCCC1=O ZINC001140678976 960493842 /nfs/dbraw/zinc/49/38/42/960493842.db2.gz MHSSEFGVMJGVLE-JTQLQIEISA-N 1 2 237.299 1.573 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(CO)o2)CCCC1=O ZINC001140678976 960493847 /nfs/dbraw/zinc/49/38/47/960493847.db2.gz MHSSEFGVMJGVLE-JTQLQIEISA-N 1 2 237.299 1.573 20 0 BDADLO Cc1oc(C[NH2+]CCn2cc[nH+]c2)cc1C(=O)[O-] ZINC000235973437 960541379 /nfs/dbraw/zinc/54/13/79/960541379.db2.gz VOTHZQULEVXLPA-UHFFFAOYSA-N 1 2 249.270 1.273 20 0 BDADLO CCOC1C[NH+](Cc2ccc3ncn(C)c3c2)C1 ZINC001140741179 960541413 /nfs/dbraw/zinc/54/14/13/960541413.db2.gz KNFRJXKGESVUIP-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO Cc1cc(C[C@@H](C)[NH2+]/C=C/C(C)(C)O)on1 ZINC001203210036 960553663 /nfs/dbraw/zinc/55/36/63/960553663.db2.gz SATRLBLXKPKBLA-VUHVRTRXSA-N 1 2 224.304 1.788 20 0 BDADLO CCCC(=O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144029625 972515193 /nfs/dbraw/zinc/51/51/93/972515193.db2.gz YVELLCBNFASDRL-UHFFFAOYSA-N 1 2 231.255 1.642 20 0 BDADLO C[NH+]1CC(NC(=O)c2cnc3ccccc3c2)C1 ZINC001149136280 960582283 /nfs/dbraw/zinc/58/22/83/960582283.db2.gz GEUBJHXTQZGBBW-UHFFFAOYSA-N 1 2 241.294 1.279 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2[nH]cc(C)c2C)CCO1 ZINC001140861217 960638992 /nfs/dbraw/zinc/63/89/92/960638992.db2.gz CGSDXTBHYLFKPA-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2[nH]cc(C)c2C)CCO1 ZINC001140861217 960639002 /nfs/dbraw/zinc/63/90/02/960639002.db2.gz CGSDXTBHYLFKPA-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCn3nncc3C2)c1C ZINC001140861419 960643237 /nfs/dbraw/zinc/64/32/37/960643237.db2.gz GMGDYEKIAWYOQH-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCn3nncc3C2)c1C ZINC001140861419 960643241 /nfs/dbraw/zinc/64/32/41/960643241.db2.gz GMGDYEKIAWYOQH-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001327267032 972523070 /nfs/dbraw/zinc/52/30/70/972523070.db2.gz JPDCITHUDXSHSS-DKCNOQQISA-N 1 2 246.318 1.666 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(O)c(F)c2F)C[C@@H]1O ZINC001140888376 960672330 /nfs/dbraw/zinc/67/23/30/960672330.db2.gz QWUDYUVARVDDFA-XVKPBYJWSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)C[C@@H]1O ZINC001140888376 960672338 /nfs/dbraw/zinc/67/23/38/960672338.db2.gz QWUDYUVARVDDFA-XVKPBYJWSA-N 1 2 243.253 1.483 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2ccncc2C1 ZINC001140937859 960727422 /nfs/dbraw/zinc/72/74/22/960727422.db2.gz GJVFMQDOMHEJFM-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2ccncc2C1 ZINC001140937859 960727438 /nfs/dbraw/zinc/72/74/38/960727438.db2.gz GJVFMQDOMHEJFM-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2ncco2)no1 ZINC001141005169 960805847 /nfs/dbraw/zinc/80/58/47/960805847.db2.gz WLYDYHNCBSGVOT-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2ncco2)no1 ZINC001141005169 960805848 /nfs/dbraw/zinc/80/58/48/960805848.db2.gz WLYDYHNCBSGVOT-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO c1coc(C[NH+]2CC3(C2)CCOCC3)n1 ZINC001141009103 960807342 /nfs/dbraw/zinc/80/73/42/960807342.db2.gz WSVSHDDTWTZBRE-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO c1cnn(C2CC[NH+](Cc3ncco3)CC2)c1 ZINC001141011188 960813114 /nfs/dbraw/zinc/81/31/14/960813114.db2.gz UHANRAOXFCULCC-UHFFFAOYSA-N 1 2 232.287 1.708 20 0 BDADLO CCN(CC(=O)OC)Cc1ccn2cc[nH+]c2c1 ZINC001141050830 960839885 /nfs/dbraw/zinc/83/98/85/960839885.db2.gz KQMDYUFQVXXMBC-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO CCCCc1ncc(C[N@H+](C)[C@@H]2CCOC2)[nH]1 ZINC001141072756 960856789 /nfs/dbraw/zinc/85/67/89/960856789.db2.gz XUQPBMQLNKMLFP-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1ncc(C[N@@H+](C)[C@@H]2CCOC2)[nH]1 ZINC001141072756 960856790 /nfs/dbraw/zinc/85/67/90/960856790.db2.gz XUQPBMQLNKMLFP-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO F[C@H]1COC2(C1)CC[NH+](Cc1cocn1)CC2 ZINC001141130695 960880070 /nfs/dbraw/zinc/88/00/70/960880070.db2.gz WBPNHPNYRZPWCL-SNVBAGLBSA-N 1 2 240.278 1.768 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)co1 ZINC001141130396 960882611 /nfs/dbraw/zinc/88/26/11/960882611.db2.gz MWZMAMFYYIURTQ-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO c1nc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)co1 ZINC001141130396 960882615 /nfs/dbraw/zinc/88/26/15/960882615.db2.gz MWZMAMFYYIURTQ-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cocn2)C1 ZINC001141133023 960885721 /nfs/dbraw/zinc/88/57/21/960885721.db2.gz VWYIUCDKXPLHDO-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cocn2)C1 ZINC001141133023 960885727 /nfs/dbraw/zinc/88/57/27/960885727.db2.gz VWYIUCDKXPLHDO-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)CCCCO)n1cc[nH+]c1 ZINC001141261364 961029207 /nfs/dbraw/zinc/02/92/07/961029207.db2.gz ASAUHYFCDDJASM-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO CC(=O)OCc1ccc(C[N@H+](C)CCF)o1 ZINC001141796034 961149230 /nfs/dbraw/zinc/14/92/30/961149230.db2.gz XBINFLBMIZXBFO-UHFFFAOYSA-N 1 2 229.251 1.744 20 0 BDADLO CC(=O)OCc1ccc(C[N@@H+](C)CCF)o1 ZINC001141796034 961149257 /nfs/dbraw/zinc/14/92/57/961149257.db2.gz XBINFLBMIZXBFO-UHFFFAOYSA-N 1 2 229.251 1.744 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC001142076644 961244085 /nfs/dbraw/zinc/24/40/85/961244085.db2.gz RTWGNGGRSXFJOH-MRVPVSSYSA-N 1 2 241.722 1.597 20 0 BDADLO CC(C)/C=C/C(=O)NCCn1cc[nH+]c1 ZINC001142655374 961551354 /nfs/dbraw/zinc/55/13/54/961551354.db2.gz YFLRDVLLVRZMQO-ONEGZZNKSA-N 1 2 207.277 1.212 20 0 BDADLO C[N@H+](Cc1cccc2nc[nH]c21)C1COC1 ZINC001142686373 961624208 /nfs/dbraw/zinc/62/42/08/961624208.db2.gz CWBAUHWNQIWOBR-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1cccc2nc[nH]c21)C1COC1 ZINC001142686373 961624216 /nfs/dbraw/zinc/62/42/16/961624216.db2.gz CWBAUHWNQIWOBR-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO c1nc2cccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)c2[nH]1 ZINC001142690446 961630190 /nfs/dbraw/zinc/63/01/90/961630190.db2.gz VEWVHIDDSSEAEN-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2cccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)c2[nH]1 ZINC001142690446 961630201 /nfs/dbraw/zinc/63/02/01/961630201.db2.gz VEWVHIDDSSEAEN-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)nc1 ZINC001203124736 961799051 /nfs/dbraw/zinc/79/90/51/961799051.db2.gz VVYVWTDPNQVLGF-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)nc1 ZINC001203124736 961799069 /nfs/dbraw/zinc/79/90/69/961799069.db2.gz VVYVWTDPNQVLGF-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccn3ccnc23)CCO1 ZINC001142944259 961844131 /nfs/dbraw/zinc/84/41/31/961844131.db2.gz HYARSSMTVFMLBF-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccn3ccnc23)CCO1 ZINC001142944259 961844136 /nfs/dbraw/zinc/84/41/36/961844136.db2.gz HYARSSMTVFMLBF-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO F[C@@H]1CN(Cc2cccn3cc[nH+]c23)C[C@@H]1F ZINC001142945065 961851908 /nfs/dbraw/zinc/85/19/08/961851908.db2.gz WQEIVZGVDUVITF-PHIMTYICSA-N 1 2 237.253 1.826 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Oc2ccccc2)C[N@@H+]1C ZINC001225197504 961857304 /nfs/dbraw/zinc/85/73/04/961857304.db2.gz OSPJMIXQLASMRF-NEPJUHHUSA-N 1 2 235.283 1.311 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Oc2ccccc2)C[N@H+]1C ZINC001225197504 961857311 /nfs/dbraw/zinc/85/73/11/961857311.db2.gz OSPJMIXQLASMRF-NEPJUHHUSA-N 1 2 235.283 1.311 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cccn2ccnc12 ZINC001142960860 961858081 /nfs/dbraw/zinc/85/80/81/961858081.db2.gz XSHIATCLGFRWGJ-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cccn2ccnc12 ZINC001142960860 961858086 /nfs/dbraw/zinc/85/80/86/961858086.db2.gz XSHIATCLGFRWGJ-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO c1cn2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2n1 ZINC001143018004 961864157 /nfs/dbraw/zinc/86/41/57/961864157.db2.gz DLDNWFVCOYAPEO-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2n1 ZINC001143018004 961864159 /nfs/dbraw/zinc/86/41/59/961864159.db2.gz DLDNWFVCOYAPEO-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO COc1cc(C)cc(C[NH+]2CC(NC(C)=O)C2)c1 ZINC001143155910 961892871 /nfs/dbraw/zinc/89/28/71/961892871.db2.gz BDSOHZAOLLEFNY-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO Cc1ccc(CN2CCCCO2)c(N)[nH+]1 ZINC001143195076 961926951 /nfs/dbraw/zinc/92/69/51/961926951.db2.gz RQCRTLMAEDBELF-UHFFFAOYSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1ccc(CN2CC(F)(C3CC3)C2)c(N)[nH+]1 ZINC001143194574 961929809 /nfs/dbraw/zinc/92/98/09/961929809.db2.gz AZHSHSAHLPDZOJ-UHFFFAOYSA-N 1 2 235.306 1.906 20 0 BDADLO C[N@H+](Cc1cc2cccnc2[nH]1)C1COC1 ZINC001143220407 961966176 /nfs/dbraw/zinc/96/61/76/961966176.db2.gz LWUGAUWDFSRSAJ-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1cc2cccnc2[nH]1)C1COC1 ZINC001143220407 961966194 /nfs/dbraw/zinc/96/61/94/961966194.db2.gz LWUGAUWDFSRSAJ-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203198569 962159564 /nfs/dbraw/zinc/15/95/64/962159564.db2.gz MDOSWFRBLMOCSG-UWVGGRQHSA-N 1 2 206.293 1.427 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203198569 962159572 /nfs/dbraw/zinc/15/95/72/962159572.db2.gz MDOSWFRBLMOCSG-UWVGGRQHSA-N 1 2 206.293 1.427 20 0 BDADLO CC[NH+]1CC(Oc2cc(O)ccc2OC)C1 ZINC001225461356 962181436 /nfs/dbraw/zinc/18/14/36/962181436.db2.gz XOESDNZLAFVNHO-UHFFFAOYSA-N 1 2 223.272 1.484 20 0 BDADLO Cc1c(F)cccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001269433795 962672305 /nfs/dbraw/zinc/67/23/05/962672305.db2.gz FPOUKOJNHUPBMD-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO Cc1c(F)cccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001269433795 962672315 /nfs/dbraw/zinc/67/23/15/962672315.db2.gz FPOUKOJNHUPBMD-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154598301 962805013 /nfs/dbraw/zinc/80/50/13/962805013.db2.gz CEQAQNKVEHKNSQ-GHMZBOCLSA-N 1 2 249.358 1.761 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001204383632 962908433 /nfs/dbraw/zinc/90/84/33/962908433.db2.gz LHUFIZDOOCJHKW-JTQLQIEISA-N 1 2 247.264 1.989 20 0 BDADLO C[C@@H]1SCC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894364025 962966173 /nfs/dbraw/zinc/96/61/73/962966173.db2.gz PIFFPLSTTOSIMX-IUCAKERBSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@@H]1SCC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894364025 962966186 /nfs/dbraw/zinc/96/61/86/962966186.db2.gz PIFFPLSTTOSIMX-IUCAKERBSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@H]1SCC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894364023 962967524 /nfs/dbraw/zinc/96/75/24/962967524.db2.gz PIFFPLSTTOSIMX-BDAKNGLRSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@H]1SCC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894364023 962967527 /nfs/dbraw/zinc/96/75/27/962967527.db2.gz PIFFPLSTTOSIMX-BDAKNGLRSA-N 1 2 238.360 1.849 20 0 BDADLO Cc1cc(NC2(C(N)=O)CC2)nc(C(C)(C)C)[nH+]1 ZINC001155094264 962971679 /nfs/dbraw/zinc/97/16/79/962971679.db2.gz ZYJZWCWTEPZSOA-UHFFFAOYSA-N 1 2 248.330 1.512 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)ccn1 ZINC001206654743 963036645 /nfs/dbraw/zinc/03/66/45/963036645.db2.gz CSJVKDMLHARNEN-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)ccn1 ZINC001206654743 963036661 /nfs/dbraw/zinc/03/66/61/963036661.db2.gz CSJVKDMLHARNEN-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO Cn1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cn1 ZINC001204969852 963108308 /nfs/dbraw/zinc/10/83/08/963108308.db2.gz GVGBRGPFEZANJA-CHWSQXEVSA-N 1 2 247.342 1.754 20 0 BDADLO Cn1cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cn1 ZINC001204969852 963108321 /nfs/dbraw/zinc/10/83/21/963108321.db2.gz GVGBRGPFEZANJA-CHWSQXEVSA-N 1 2 247.342 1.754 20 0 BDADLO Nc1ccc(N2CCOCC23CC3)[nH+]c1 ZINC001155829918 963180561 /nfs/dbraw/zinc/18/05/61/963180561.db2.gz FTPDQIQYOICAOG-UHFFFAOYSA-N 1 2 205.261 1.033 20 0 BDADLO c1cn(CCCNc2ncnc3occc32)c[nH+]1 ZINC001161680997 963181053 /nfs/dbraw/zinc/18/10/53/963181053.db2.gz DYYZRDUFYZSCLW-UHFFFAOYSA-N 1 2 243.270 1.922 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C)cc2C)C[NH2+]1 ZINC001156242262 963296103 /nfs/dbraw/zinc/29/61/03/963296103.db2.gz FGJLYEZXGRRGDS-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO COC(C)(C)CNc1cc(N(C)C)nc[nH+]1 ZINC001156433020 963346571 /nfs/dbraw/zinc/34/65/71/963346571.db2.gz CWIFDFKIFCZNNE-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO COC(C)(C)CNc1cc(N(C)C)[nH+]cn1 ZINC001156433020 963346579 /nfs/dbraw/zinc/34/65/79/963346579.db2.gz CWIFDFKIFCZNNE-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H](C)CCO ZINC001156452492 963359891 /nfs/dbraw/zinc/35/98/91/963359891.db2.gz UPKJBUVAOXNNIM-SECBINFHSA-N 1 2 210.277 1.581 20 0 BDADLO CCc1[nH]c(CNC(=O)CC2CSC2)c[nH+]1 ZINC001156544243 963380201 /nfs/dbraw/zinc/38/02/01/963380201.db2.gz RSXOELFIPXNIKK-UHFFFAOYSA-N 1 2 239.344 1.341 20 0 BDADLO CCc1[nH]cc(CNC(=O)CC2CSC2)[nH+]1 ZINC001156544243 963380206 /nfs/dbraw/zinc/38/02/06/963380206.db2.gz RSXOELFIPXNIKK-UHFFFAOYSA-N 1 2 239.344 1.341 20 0 BDADLO CCc1[nH]c(CNC(=O)COC(C)(C)C)c[nH+]1 ZINC001156538043 963380835 /nfs/dbraw/zinc/38/08/35/963380835.db2.gz INFATNOUASAQFP-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO CCc1[nH]cc(CNC(=O)COC(C)(C)C)[nH+]1 ZINC001156538043 963380842 /nfs/dbraw/zinc/38/08/42/963380842.db2.gz INFATNOUASAQFP-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO CCOC(=O)Cc1cc[nH+]c(NC2CC(=O)C2)c1 ZINC001156619790 963418262 /nfs/dbraw/zinc/41/82/62/963418262.db2.gz GLBPBIKOBWZWSQ-UHFFFAOYSA-N 1 2 248.282 1.331 20 0 BDADLO Cn1c2ccccc2[nH]c1=[NH+]C1=CCOC1 ZINC001203378758 963427392 /nfs/dbraw/zinc/42/73/92/963427392.db2.gz AHWGYVKACRTRLL-UHFFFAOYSA-N 1 2 215.256 1.899 20 0 BDADLO Cc1[nH]c(C[NH2+]CCn2cc[nH+]c2)cc1C(=O)[O-] ZINC000310733394 963429540 /nfs/dbraw/zinc/42/95/40/963429540.db2.gz XSHSLBACXDIXSN-UHFFFAOYSA-N 1 2 248.286 1.008 20 0 BDADLO Cn1c[nH+]cc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001204383966 963450319 /nfs/dbraw/zinc/45/03/19/963450319.db2.gz PBAKJOVYVGKMDR-JTQLQIEISA-N 1 2 247.264 1.989 20 0 BDADLO CC(C)(CNc1ccc(Cl)c(N)[nH+]1)C(N)=O ZINC001156743036 963450506 /nfs/dbraw/zinc/45/05/06/963450506.db2.gz IKXWBXGBQYGCSS-UHFFFAOYSA-N 1 2 242.710 1.241 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001204383997 963451614 /nfs/dbraw/zinc/45/16/14/963451614.db2.gz PEUJBYUCPWQHTR-VIFPVBQESA-N 1 2 247.264 1.847 20 0 BDADLO COCc1cc[nH+]c(NC(C)(C)CCO)c1 ZINC001156910642 963492661 /nfs/dbraw/zinc/49/26/61/963492661.db2.gz ZLSIDSVPRYLHNN-UHFFFAOYSA-N 1 2 224.304 1.801 20 0 BDADLO CCN(C)C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156964596 963502603 /nfs/dbraw/zinc/50/26/03/963502603.db2.gz NLXJXCQRXQZTAD-UHFFFAOYSA-N 1 2 218.260 1.237 20 0 BDADLO CCOC(=O)Cc1cccnc1NC=[NH2+] ZINC001157073322 963521411 /nfs/dbraw/zinc/52/14/11/963521411.db2.gz GXLSJGAJJNBCCO-UHFFFAOYSA-N 1 2 207.233 1.206 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(C)nn2)[nH+]c1C ZINC000896910857 963522437 /nfs/dbraw/zinc/52/24/37/963522437.db2.gz ZSEPGPVDTHOWJI-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ncncc1OC ZINC001157459881 963621090 /nfs/dbraw/zinc/62/10/90/963621090.db2.gz MBJJKKLTVGAQMC-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cn3ccccc3n2)C1 ZINC001227948065 963632446 /nfs/dbraw/zinc/63/24/46/963632446.db2.gz YQDLNXZLXRDFRM-NSHDSACASA-N 1 2 247.298 1.044 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cn3ccccc3n2)C1 ZINC001227948065 963632448 /nfs/dbraw/zinc/63/24/48/963632448.db2.gz YQDLNXZLXRDFRM-NSHDSACASA-N 1 2 247.298 1.044 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2cscn2)[C@@H]1C ZINC001088437953 963779824 /nfs/dbraw/zinc/77/98/24/963779824.db2.gz CUJYQVVVHSDNPN-KCJUWKMLSA-N 1 2 239.344 1.242 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)[C@@H]1C ZINC001088437953 963779829 /nfs/dbraw/zinc/77/98/29/963779829.db2.gz CUJYQVVVHSDNPN-KCJUWKMLSA-N 1 2 239.344 1.242 20 0 BDADLO Cc1ccc([C@@H](C)Nc2cc(N)nc[nH+]2)nc1 ZINC001158019869 963793972 /nfs/dbraw/zinc/79/39/72/963793972.db2.gz NVSOFMZHBSRUGB-SECBINFHSA-N 1 2 229.287 1.935 20 0 BDADLO CCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001168130446 963812528 /nfs/dbraw/zinc/81/25/28/963812528.db2.gz FSCFCAZAJLAXQJ-UHFFFAOYSA-N 1 2 221.304 1.740 20 0 BDADLO CCCNc1ccc(CNC(C)=O)c[nH+]1 ZINC001168130654 963814704 /nfs/dbraw/zinc/81/47/04/963814704.db2.gz LXIKEBKCTIJOHN-UHFFFAOYSA-N 1 2 207.277 1.540 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2cnsn2)[C@H]1CCO ZINC000697208156 963852338 /nfs/dbraw/zinc/85/23/38/963852338.db2.gz PAMHSICJELTWDO-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2cnsn2)[C@H]1CCO ZINC000697208156 963852341 /nfs/dbraw/zinc/85/23/41/963852341.db2.gz PAMHSICJELTWDO-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cc(C2CC2)ccn1 ZINC001158706596 963906070 /nfs/dbraw/zinc/90/60/70/963906070.db2.gz BKBVTDNIUOARCZ-CYBMUJFWSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cc(C2CC2)ccn1 ZINC001158706596 963906075 /nfs/dbraw/zinc/90/60/75/963906075.db2.gz BKBVTDNIUOARCZ-CYBMUJFWSA-N 1 2 247.342 1.702 20 0 BDADLO C=CC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001158839979 963941806 /nfs/dbraw/zinc/94/18/06/963941806.db2.gz VMGYUHNYSKDBCF-UHFFFAOYSA-N 1 2 246.314 1.377 20 0 BDADLO Nc1cc(NCc2nccc(Cl)n2)[nH+]cn1 ZINC001159479480 964108860 /nfs/dbraw/zinc/10/88/60/964108860.db2.gz SPVNFQQCDIDUKN-UHFFFAOYSA-N 1 2 236.666 1.114 20 0 BDADLO Cc1nc2c(o1)CCN(Cc1c[nH+]cn1C)C2 ZINC001204389012 964224743 /nfs/dbraw/zinc/22/47/43/964224743.db2.gz KRTUHBNLXBYQGV-UHFFFAOYSA-N 1 2 232.287 1.275 20 0 BDADLO CC(C)[C@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160072557 964245690 /nfs/dbraw/zinc/24/56/90/964245690.db2.gz MVRUZDMHXMDDPY-LBPRGKRZSA-N 1 2 247.298 1.310 20 0 BDADLO Cc1cc(NC[C@H]2COCCO2)[nH+]c2cc[nH]c21 ZINC001168272454 964247430 /nfs/dbraw/zinc/24/74/30/964247430.db2.gz RGMDLGCDODWJFM-JTQLQIEISA-N 1 2 247.298 1.699 20 0 BDADLO Nc1cc(N[C@@H]2COCc3ccccc32)[nH+]cn1 ZINC001160119485 964254768 /nfs/dbraw/zinc/25/47/68/964254768.db2.gz FIINWEBQWYDZSI-LLVKDONJSA-N 1 2 242.282 1.742 20 0 BDADLO Cn1cc2c(cccc2C[N@@H+]2CCO[C@@H]3C[C@@H]32)n1 ZINC001142468510 964272714 /nfs/dbraw/zinc/27/27/14/964272714.db2.gz JHLHOEDLZLUBCN-UONOGXRCSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cc2c(cccc2C[N@H+]2CCO[C@@H]3C[C@@H]32)n1 ZINC001142468510 964272723 /nfs/dbraw/zinc/27/27/23/964272723.db2.gz JHLHOEDLZLUBCN-UONOGXRCSA-N 1 2 243.310 1.546 20 0 BDADLO C=CC[NH+]1CCN(C(=O)CCC(C)C)CC1 ZINC000056317964 964563147 /nfs/dbraw/zinc/56/31/47/964563147.db2.gz LANWUQADHLAYJB-UHFFFAOYSA-N 1 2 224.348 1.753 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C1CC(F)C1 ZINC001142571381 964626665 /nfs/dbraw/zinc/62/66/65/964626665.db2.gz OJUQFPCMLJROHS-UHFFFAOYSA-N 1 2 234.274 1.679 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206676945 964644109 /nfs/dbraw/zinc/64/41/09/964644109.db2.gz WWCDGROCIRCRJB-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206676945 964644117 /nfs/dbraw/zinc/64/41/17/964644117.db2.gz WWCDGROCIRCRJB-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO C[C@@H](C(=O)Nc1nccn1C1CC1)n1cc[nH+]c1 ZINC001161588403 964645223 /nfs/dbraw/zinc/64/52/23/964645223.db2.gz UYSJGNWSNFDXFK-VIFPVBQESA-N 1 2 245.286 1.614 20 0 BDADLO CC(=O)NCCNc1cc2cc(F)ccc2c[nH+]1 ZINC001161654315 964665918 /nfs/dbraw/zinc/66/59/18/964665918.db2.gz FVXIRMLHUYTBNO-UHFFFAOYSA-N 1 2 247.273 1.922 20 0 BDADLO COCc1nccnc1NCCCn1cc[nH+]c1 ZINC001161681865 964683208 /nfs/dbraw/zinc/68/32/08/964683208.db2.gz DBTHKBSJPINPCY-UHFFFAOYSA-N 1 2 247.302 1.322 20 0 BDADLO Clc1ccnnc1NCCCn1cc[nH+]c1 ZINC001161680944 964683631 /nfs/dbraw/zinc/68/36/31/964683631.db2.gz AKQPWKVURIHLCE-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO c1cn2cc(NCCCn3cc[nH+]c3)ncc2n1 ZINC001161684691 964683876 /nfs/dbraw/zinc/68/38/76/964683876.db2.gz JJWYHBMQYDOTKE-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CCO[C@@H](C)C2)c1C(N)=O ZINC001161691533 964690573 /nfs/dbraw/zinc/69/05/73/964690573.db2.gz OWWOCYXFXXTCLQ-UWVGGRQHSA-N 1 2 249.314 1.468 20 0 BDADLO Cc1ccc(C[NH2+]c2cccc(=O)n2C)o1 ZINC001161768995 964742570 /nfs/dbraw/zinc/74/25/70/964742570.db2.gz GXYSQNQSYRLJGG-UHFFFAOYSA-N 1 2 218.256 1.899 20 0 BDADLO Cc1cc2cc(N[C@H](CO)[C@@H](C)O)[nH+]cc2[nH]1 ZINC001161772639 964745692 /nfs/dbraw/zinc/74/56/92/964745692.db2.gz AIGNDVOJCHOQSG-LDYMZIIASA-N 1 2 235.287 1.025 20 0 BDADLO C[C@@H](O)[C@@H](CO)Nc1ccc(-n2cccc2)c[nH+]1 ZINC001161776110 964749847 /nfs/dbraw/zinc/74/98/47/964749847.db2.gz HXVQNYHATCJATH-ZYHUDNBSSA-N 1 2 247.298 1.026 20 0 BDADLO CCN(C(=O)C1(C(C)C)CCC1)C1C[NH+](C)C1 ZINC001142650698 964750978 /nfs/dbraw/zinc/75/09/78/964750978.db2.gz FYVLITDXFHVXTJ-UHFFFAOYSA-N 1 2 238.375 1.975 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)OC[C@H]1C)n1cc[nH+]c1 ZINC000056969512 964754133 /nfs/dbraw/zinc/75/41/33/964754133.db2.gz DLMRSPUWEPSPRX-GMTAPVOTSA-N 1 2 237.303 1.080 20 0 BDADLO Cn1nccc1CNc1ccc2c([nH+]1)CCOC2 ZINC001161870786 964802045 /nfs/dbraw/zinc/80/20/45/964802045.db2.gz HLCZUPIKIWSLBG-UHFFFAOYSA-N 1 2 244.298 1.500 20 0 BDADLO CC(C)Oc1cc(NCCn2ccnn2)cc[nH+]1 ZINC001161925864 964821765 /nfs/dbraw/zinc/82/17/65/964821765.db2.gz BEETWKIOZNKYSC-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO COc1cc[nH+]cc1NCCc1ncc(C)cn1 ZINC001162246438 964890774 /nfs/dbraw/zinc/89/07/74/964890774.db2.gz XBKNOEYWESKXGM-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO Cc1cnc(CCNc2cc[nH+]cc2F)nc1 ZINC001162246374 964891264 /nfs/dbraw/zinc/89/12/64/964891264.db2.gz VTUMRIZMBKLWGD-UHFFFAOYSA-N 1 2 232.262 1.396 20 0 BDADLO CCN(C)c1cc(NCc2cnoc2C)[nH+]cn1 ZINC001162268731 964897871 /nfs/dbraw/zinc/89/78/71/964897871.db2.gz CEFMBKXYHXNOAE-UHFFFAOYSA-N 1 2 247.302 1.841 20 0 BDADLO CCN(C)c1cc(NCc2cnoc2C)nc[nH+]1 ZINC001162268731 964897876 /nfs/dbraw/zinc/89/78/76/964897876.db2.gz CEFMBKXYHXNOAE-UHFFFAOYSA-N 1 2 247.302 1.841 20 0 BDADLO CN(C)c1ccc(NCc2ncon2)[nH+]c1 ZINC001162281842 964907805 /nfs/dbraw/zinc/90/78/05/964907805.db2.gz SBJXNHDNRJGLNB-UHFFFAOYSA-N 1 2 219.248 1.143 20 0 BDADLO O=C1C[C@H](CNc2ccn3cc[nH+]c3c2)CCN1 ZINC001162332233 964934897 /nfs/dbraw/zinc/93/48/97/964934897.db2.gz FHBWLPMTLICCRL-SNVBAGLBSA-N 1 2 244.298 1.272 20 0 BDADLO COc1cc[nH+]cc1NC[C@H]1CCNC(=O)C1 ZINC001162332971 964935012 /nfs/dbraw/zinc/93/50/12/964935012.db2.gz PSXPAYBMUDLGOX-VIFPVBQESA-N 1 2 235.287 1.028 20 0 BDADLO O=C1C[C@H](C[NH2+]c2ccc(O)cc2)CCN1 ZINC001162338071 964935826 /nfs/dbraw/zinc/93/58/26/964935826.db2.gz SYGXKARRPFXAOR-SECBINFHSA-N 1 2 220.272 1.330 20 0 BDADLO Cc1cc(NC[C@@H]2CCNC(=O)C2)c[nH+]c1C ZINC001162331792 964936155 /nfs/dbraw/zinc/93/61/55/964936155.db2.gz BGXZICGPOUVPNV-LLVKDONJSA-N 1 2 233.315 1.637 20 0 BDADLO Cc1[nH+]cccc1NC[C@@H]1CCNC(=O)C1 ZINC001162337382 964936913 /nfs/dbraw/zinc/93/69/13/964936913.db2.gz NDEHVJQGCVZHBS-SNVBAGLBSA-N 1 2 219.288 1.328 20 0 BDADLO CC[C@@H](CNC(=O)C1CC1)Nc1cc[nH+]c(C)n1 ZINC001102969811 964943815 /nfs/dbraw/zinc/94/38/15/964943815.db2.gz AAOHVFGRYHYMQX-NSHDSACASA-N 1 2 248.330 1.502 20 0 BDADLO COC(CC[N@H+](C)Cc1cscn1)OC ZINC000686615866 965050102 /nfs/dbraw/zinc/05/01/02/965050102.db2.gz LLLIVPOBCSVYFA-UHFFFAOYSA-N 1 2 230.333 1.584 20 0 BDADLO COC(CC[N@@H+](C)Cc1cscn1)OC ZINC000686615866 965050113 /nfs/dbraw/zinc/05/01/13/965050113.db2.gz LLLIVPOBCSVYFA-UHFFFAOYSA-N 1 2 230.333 1.584 20 0 BDADLO Nc1[nH+]ccc(F)c1NCC1CC(=O)C1 ZINC001168392095 965125251 /nfs/dbraw/zinc/12/52/51/965125251.db2.gz IZJYJANAHHPBDQ-UHFFFAOYSA-N 1 2 209.224 1.194 20 0 BDADLO O=C1OCCC1=Nc1cc(-n2cc[nH+]c2)ccn1 ZINC001162705615 965129565 /nfs/dbraw/zinc/12/95/65/965129565.db2.gz WFGQYJKQOSKPCK-UHFFFAOYSA-N 1 2 242.238 1.120 20 0 BDADLO Cc1ccc([C@@H](CO)Nc2cc(N)nc[nH+]2)cc1 ZINC001162946508 965216094 /nfs/dbraw/zinc/21/60/94/965216094.db2.gz DEOLFBPOTZUEFK-LLVKDONJSA-N 1 2 244.298 1.513 20 0 BDADLO COC1(C)C[NH+](Cc2cc(C)nc(C)c2)C1 ZINC001231995224 965293182 /nfs/dbraw/zinc/29/31/82/965293182.db2.gz JGWTZFVFMKSXSZ-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H]2CCCCO2)n1 ZINC000087420018 965297535 /nfs/dbraw/zinc/29/75/35/965297535.db2.gz IWJHZBFTRBBGPF-VIFPVBQESA-N 1 2 225.292 1.291 20 0 BDADLO C/C(=C\C=C\[NH3+])N[C@@H](C)C(=O)OC(C)C ZINC001163402318 965399835 /nfs/dbraw/zinc/39/98/35/965399835.db2.gz HMJOTCPUMHAFDU-NXMPLNPZSA-N 1 2 212.293 1.292 20 0 BDADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCC1 ZINC001163534273 965428772 /nfs/dbraw/zinc/42/87/72/965428772.db2.gz RFFRUKOXBZAIRN-UHFFFAOYSA-N 1 2 220.272 1.695 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCCC[C@@H]1CO ZINC001163552694 965448281 /nfs/dbraw/zinc/44/82/81/965448281.db2.gz GUAVCMJIYQEECA-LLVKDONJSA-N 1 2 236.315 1.750 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)C[C@H](C2CC2)O1 ZINC001120929582 965455130 /nfs/dbraw/zinc/45/51/30/965455130.db2.gz VWYUOTUPEGMPBG-WCBMZHEXSA-N 1 2 234.303 1.063 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1F ZINC001233049633 965463000 /nfs/dbraw/zinc/46/30/00/965463000.db2.gz FYKPYSRKNBMEFD-KOLCDFICSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1F ZINC001233049633 965463005 /nfs/dbraw/zinc/46/30/05/965463005.db2.gz FYKPYSRKNBMEFD-KOLCDFICSA-N 1 2 243.253 1.436 20 0 BDADLO CC1(C)CN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001163727271 965540348 /nfs/dbraw/zinc/54/03/48/965540348.db2.gz OEOULDPSWIJSLW-UHFFFAOYSA-N 1 2 243.314 1.568 20 0 BDADLO Cc1cc(N2CC3(CC(O)C3)C2)nc(C2CC2)[nH+]1 ZINC001163741073 965562699 /nfs/dbraw/zinc/56/26/99/965562699.db2.gz WGODXWWNQWAJKN-UHFFFAOYSA-N 1 2 245.326 1.624 20 0 BDADLO Nc1[nH+]c(N2CC3(CC(O)C3)C2)ccc1Cl ZINC001163742891 965564190 /nfs/dbraw/zinc/56/41/90/965564190.db2.gz KBFIBKBJUIWMSL-UHFFFAOYSA-N 1 2 239.706 1.278 20 0 BDADLO CC(C)(C)C(=O)CNc1ccc(N)[nH+]c1 ZINC001164005584 965692653 /nfs/dbraw/zinc/69/26/53/965692653.db2.gz QLPJAAGBRPWCOK-UHFFFAOYSA-N 1 2 207.277 1.691 20 0 BDADLO CC1(Nc2cc3c(c[nH+]2)OCC(=O)N3)CCC1 ZINC001164025302 965698446 /nfs/dbraw/zinc/69/84/46/965698446.db2.gz OVQVDZQPKZEURR-UHFFFAOYSA-N 1 2 233.271 1.767 20 0 BDADLO COc1cc(C)c[nH+]c1N1C[C@H](O)CC[C@H]1C ZINC001164121558 965742399 /nfs/dbraw/zinc/74/23/99/965742399.db2.gz VUELLOTWWZMTPT-GHMZBOCLSA-N 1 2 236.315 1.748 20 0 BDADLO CCc1cc(N2C[C@@H](C)C[C@H]2CO)nc(C)[nH+]1 ZINC001164151774 965764385 /nfs/dbraw/zinc/76/43/85/965764385.db2.gz AOJYVXKAVFRBIC-CABZTGNLSA-N 1 2 235.331 1.555 20 0 BDADLO O=C1CC[C@@H](CNc2cc3cc[nH]c3c[nH+]2)N1 ZINC001164159470 965768331 /nfs/dbraw/zinc/76/83/31/965768331.db2.gz UJWSVYAPVYLLFN-VIFPVBQESA-N 1 2 230.271 1.253 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H](O)C2)c2c([nH+]1)CCC2 ZINC001164273427 965814582 /nfs/dbraw/zinc/81/45/82/965814582.db2.gz OZSQMHNRKRUOFC-NOZJJQNGSA-N 1 2 247.342 1.481 20 0 BDADLO Cc1c(F)cc[nH+]c1N1[C@@H](C)CC[C@H]1CO ZINC001164307903 965837767 /nfs/dbraw/zinc/83/77/67/965837767.db2.gz MJZLHAHOBGDMIQ-WPRPVWTQSA-N 1 2 224.279 1.879 20 0 BDADLO Cc1nc(N2CC[C@](C)(O)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001164351946 965857235 /nfs/dbraw/zinc/85/72/35/965857235.db2.gz DXNYOPUYYFNYHS-OTYXRUKQSA-N 1 2 249.358 1.999 20 0 BDADLO OCC1(CNc2ccc3c([nH+]2)CCOC3)CCC1 ZINC001164362960 965859068 /nfs/dbraw/zinc/85/90/68/965859068.db2.gz PPTLFUZUUDTERE-UHFFFAOYSA-N 1 2 248.326 1.729 20 0 BDADLO Cc1cc(C(F)(F)F)nc(=NOCC[NH3+])[nH]1 ZINC001164408567 965874096 /nfs/dbraw/zinc/87/40/96/965874096.db2.gz PWNPRWVNRASEAW-UHFFFAOYSA-N 1 2 236.197 1.106 20 0 BDADLO C=Cc1ccc(N2CC[NH2+]CC(F)(F)C2)nc1 ZINC001164497044 965896257 /nfs/dbraw/zinc/89/62/57/965896257.db2.gz BDNJFKMWNPVJJU-UHFFFAOYSA-N 1 2 239.269 1.770 20 0 BDADLO Cc1cc(=O)c(C)c(OC2C[NH+](C(C)C)C2)[nH]1 ZINC001234866952 965904691 /nfs/dbraw/zinc/90/46/91/965904691.db2.gz ZZYVHHTYPZJAFI-UHFFFAOYSA-N 1 2 236.315 1.875 20 0 BDADLO CCOC(=O)/C=C\C[N@H+](C)Cc1cnccn1 ZINC000699508329 965932479 /nfs/dbraw/zinc/93/24/79/965932479.db2.gz DXOVAHPSNKRAJT-PLNGDYQASA-N 1 2 235.287 1.028 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+](C)Cc1cnccn1 ZINC000699508329 965932494 /nfs/dbraw/zinc/93/24/94/965932494.db2.gz DXOVAHPSNKRAJT-PLNGDYQASA-N 1 2 235.287 1.028 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@@]3(CCOC3)C2)c1 ZINC001165252040 966006696 /nfs/dbraw/zinc/00/66/96/966006696.db2.gz YCAQIQZCUGAEFJ-CQSZACIVSA-N 1 2 248.326 1.845 20 0 BDADLO C[C@@H](C(=O)N1C[C@H]2CCCC[C@H]21)n1cc[nH+]c1 ZINC001165277436 966018730 /nfs/dbraw/zinc/01/87/30/966018730.db2.gz ZLRIDDYREIUMQS-QJPTWQEYSA-N 1 2 233.315 1.845 20 0 BDADLO CC(C(=O)NCCc1[nH]cc[nH+]1)=C1CCCC1 ZINC000176632394 966057502 /nfs/dbraw/zinc/05/75/02/966057502.db2.gz HAULIYQLHUNOHU-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc2nonc21 ZINC001203138648 966127452 /nfs/dbraw/zinc/12/74/52/966127452.db2.gz WBAWDFRHZIDBFU-MRVPVSSYSA-N 1 2 249.270 1.216 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2nonc21 ZINC001203138648 966127482 /nfs/dbraw/zinc/12/74/82/966127482.db2.gz WBAWDFRHZIDBFU-MRVPVSSYSA-N 1 2 249.270 1.216 20 0 BDADLO COc1cc[nH+]cc1NCC(C)(C)OC ZINC001165829944 966166444 /nfs/dbraw/zinc/16/64/44/966166444.db2.gz IDUMLJHRBLXBCE-UHFFFAOYSA-N 1 2 210.277 1.927 20 0 BDADLO Cc1nc(NC2(c3cccnn3)CC2)cc[nH+]1 ZINC001168512916 966219285 /nfs/dbraw/zinc/21/92/85/966219285.db2.gz FARYTBQTWWXRBA-UHFFFAOYSA-N 1 2 227.271 1.676 20 0 BDADLO CC(C)c1ccc(N2CCNC(=O)[C@@H]2C)[nH+]c1 ZINC001166560326 966303319 /nfs/dbraw/zinc/30/33/19/966303319.db2.gz KWOQSJBTFGMPEJ-JTQLQIEISA-N 1 2 233.315 1.530 20 0 BDADLO C[C@H]1CC(=O)CCN1c1[nH+]cccc1N ZINC001166931941 966447803 /nfs/dbraw/zinc/44/78/03/966447803.db2.gz HMNQAKCBEWIYNR-QMMMGPOBSA-N 1 2 205.261 1.222 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(=O)C(C)(C)C1 ZINC001166976202 966497691 /nfs/dbraw/zinc/49/76/91/966497691.db2.gz QVZPXDMVCBOIFA-UHFFFAOYSA-N 1 2 233.315 1.899 20 0 BDADLO CO[C@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000181447922 966519535 /nfs/dbraw/zinc/51/95/35/966519535.db2.gz MQLSJDBJLBNQGJ-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CO[C@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000181447922 966519545 /nfs/dbraw/zinc/51/95/45/966519545.db2.gz MQLSJDBJLBNQGJ-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO Cc1cnn(CCO)c1Nc1ccc(C)[nH+]c1C ZINC001203369839 966609778 /nfs/dbraw/zinc/60/97/78/966609778.db2.gz TZQJMDTWBRNJTA-UHFFFAOYSA-N 1 2 246.314 1.939 20 0 BDADLO CNc1ccc(Nc2nccnc2OC)c[nH+]1 ZINC001203448850 966647450 /nfs/dbraw/zinc/64/74/50/966647450.db2.gz NFMZQFJFEYOTAB-UHFFFAOYSA-N 1 2 231.259 1.666 20 0 BDADLO CNc1ccc(Nc2nccn3ccnc23)c[nH+]1 ZINC001203449967 966655153 /nfs/dbraw/zinc/65/51/53/966655153.db2.gz PLPOOYFILIAISW-UHFFFAOYSA-N 1 2 240.270 1.910 20 0 BDADLO Fc1ccc([C@H]2CC[N@H+](Cc3nnc[nH]3)C2)cc1 ZINC001237602317 966673282 /nfs/dbraw/zinc/67/32/82/966673282.db2.gz SEHXLUIBAUHNTE-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@H]2CC[N@@H+](Cc3nnc[nH]3)C2)cc1 ZINC001237602317 966673290 /nfs/dbraw/zinc/67/32/90/966673290.db2.gz SEHXLUIBAUHNTE-NSHDSACASA-N 1 2 246.289 1.933 20 0 BDADLO CC(=O)OC1C[NH+](Cc2ccccc2C)C1 ZINC001203706827 966748092 /nfs/dbraw/zinc/74/80/92/966748092.db2.gz RKEHCKMCDWLMML-UHFFFAOYSA-N 1 2 219.284 1.742 20 0 BDADLO O=C1CC[N@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001203859596 966799620 /nfs/dbraw/zinc/79/96/20/966799620.db2.gz XBMXSYSMKWOGRJ-GFCCVEGCSA-N 1 2 237.274 1.895 20 0 BDADLO O=C1CC[N@@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001203859596 966799623 /nfs/dbraw/zinc/79/96/23/966799623.db2.gz XBMXSYSMKWOGRJ-GFCCVEGCSA-N 1 2 237.274 1.895 20 0 BDADLO CCC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001060783111 966835181 /nfs/dbraw/zinc/83/51/81/966835181.db2.gz WJSADTNISDLYEJ-NSHDSACASA-N 1 2 248.330 1.455 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001204006454 966845903 /nfs/dbraw/zinc/84/59/03/966845903.db2.gz UCMXRDQSQBWNGY-FUNVUKJBSA-N 1 2 236.315 1.393 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001204006454 966845907 /nfs/dbraw/zinc/84/59/07/966845907.db2.gz UCMXRDQSQBWNGY-FUNVUKJBSA-N 1 2 236.315 1.393 20 0 BDADLO Cc1ccsc1CN1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001204024472 966858271 /nfs/dbraw/zinc/85/82/71/966858271.db2.gz ZOALYZVEKDDGBH-QWRGUYRKSA-N 1 2 222.357 1.945 20 0 BDADLO Cc1ccsc1CN1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001204024472 966858274 /nfs/dbraw/zinc/85/82/74/966858274.db2.gz ZOALYZVEKDDGBH-QWRGUYRKSA-N 1 2 222.357 1.945 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC001204047176 966870004 /nfs/dbraw/zinc/87/00/04/966870004.db2.gz WDRVLSSYGVLTLO-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC001204047176 966870013 /nfs/dbraw/zinc/87/00/13/966870013.db2.gz WDRVLSSYGVLTLO-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC001204072543 966879551 /nfs/dbraw/zinc/87/95/51/966879551.db2.gz LRUNKMQEAUJYGB-BFHYXJOUSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC001204072543 966879553 /nfs/dbraw/zinc/87/95/53/966879553.db2.gz LRUNKMQEAUJYGB-BFHYXJOUSA-N 1 2 248.326 1.053 20 0 BDADLO O=C1C[N@H+](Cc2ccc(O)cc2)C[C@H]2CCCN12 ZINC001204095870 966889336 /nfs/dbraw/zinc/88/93/36/966889336.db2.gz CUGRCXSQBIHXLA-GFCCVEGCSA-N 1 2 246.310 1.199 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(O)cc2)C[C@H]2CCCN12 ZINC001204095870 966889342 /nfs/dbraw/zinc/88/93/42/966889342.db2.gz CUGRCXSQBIHXLA-GFCCVEGCSA-N 1 2 246.310 1.199 20 0 BDADLO O=C1C[N@H+](Cc2ccc(O)cc2)C[C@@H]2CCCN12 ZINC001204095871 966891770 /nfs/dbraw/zinc/89/17/70/966891770.db2.gz CUGRCXSQBIHXLA-LBPRGKRZSA-N 1 2 246.310 1.199 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(O)cc2)C[C@@H]2CCCN12 ZINC001204095871 966891774 /nfs/dbraw/zinc/89/17/74/966891774.db2.gz CUGRCXSQBIHXLA-LBPRGKRZSA-N 1 2 246.310 1.199 20 0 BDADLO CN1CCC12C[NH+](Cc1cccc3c1CCO3)C2 ZINC001276441348 966895524 /nfs/dbraw/zinc/89/55/24/966895524.db2.gz LSTBCMVHFSEWHH-UHFFFAOYSA-N 1 2 244.338 1.511 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccoc3)[C@@H]2C1 ZINC001204241919 966935463 /nfs/dbraw/zinc/93/54/63/966935463.db2.gz LSGQSVVIRJPVBI-YNEHKIRRSA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccoc3)[C@@H]2C1 ZINC001204241919 966935477 /nfs/dbraw/zinc/93/54/77/966935477.db2.gz LSGQSVVIRJPVBI-YNEHKIRRSA-N 1 2 237.299 1.251 20 0 BDADLO Cn1cc2c(n1)CC[N@@H+](Cc1ccoc1)C2 ZINC001204243755 966944580 /nfs/dbraw/zinc/94/45/80/966944580.db2.gz IGJFQFSLTHNUPF-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1cc2c(n1)CC[N@H+](Cc1ccoc1)C2 ZINC001204243755 966944595 /nfs/dbraw/zinc/94/45/95/966944595.db2.gz IGJFQFSLTHNUPF-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cc1cc(-n2nc3c(c2N)CCC3)c[nH+]c1N ZINC001249779204 967050635 /nfs/dbraw/zinc/05/06/35/967050635.db2.gz RSDYAJYINSKGNI-UHFFFAOYSA-N 1 2 229.287 1.229 20 0 BDADLO Cc1c2ccc(N)cc2nn1-c1ccc[nH+]c1N ZINC001212404166 967064376 /nfs/dbraw/zinc/06/43/76/967064376.db2.gz OZOMVPBCLZDMIW-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO Cc1[nH+]c[nH]c1CN(C)Cc1ccncn1 ZINC001204603447 967100504 /nfs/dbraw/zinc/10/05/04/967100504.db2.gz LYKAZLWNMSMMKF-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1cc(-c2ccc(N)nc2F)c[nH+]c1N ZINC001239821897 967218626 /nfs/dbraw/zinc/21/86/26/967218626.db2.gz CTAQHQYOCVHNNE-UHFFFAOYSA-N 1 2 218.235 1.756 20 0 BDADLO COc1ncc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001239849947 967229787 /nfs/dbraw/zinc/22/97/87/967229787.db2.gz YEDVTPWBPRPABH-UHFFFAOYSA-N 1 2 242.282 1.548 20 0 BDADLO COc1cnc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204958737 967255408 /nfs/dbraw/zinc/25/54/08/967255408.db2.gz BBHZPICVIYGIFQ-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO COCCOCc1ccc2[nH+]ccn2c1 ZINC001250000613 967255744 /nfs/dbraw/zinc/25/57/44/967255744.db2.gz CUTPWUNLSJUHMN-UHFFFAOYSA-N 1 2 206.245 1.497 20 0 BDADLO Cc1c[nH+]c(Nc2ccc3nncn3c2)c(N)c1 ZINC001249999929 967257799 /nfs/dbraw/zinc/25/77/99/967257799.db2.gz LNMNRNPJIODWEK-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO Cn1cc(Nc2ccn3cc[nH+]c3c2)nn1 ZINC001204959843 967261312 /nfs/dbraw/zinc/26/13/12/967261312.db2.gz XBAJAOZZNIWPAJ-UHFFFAOYSA-N 1 2 214.232 1.206 20 0 BDADLO CN(C)C(=O)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250131233 967415737 /nfs/dbraw/zinc/41/57/37/967415737.db2.gz USGLATHKRBXQQY-UHFFFAOYSA-N 1 2 243.310 1.562 20 0 BDADLO COc1ccc(C(N)=O)cc1/C(C)=C/C=C/[NH3+] ZINC001205213563 967429084 /nfs/dbraw/zinc/42/90/84/967429084.db2.gz BSVCFGDRCRJGOP-DDEWIXKASA-N 1 2 232.283 1.670 20 0 BDADLO CC1(O)C[NH+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168714500 967601873 /nfs/dbraw/zinc/60/18/73/967601873.db2.gz BQECHBVRRBTHPI-SNVBAGLBSA-N 1 2 237.730 1.874 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1ccc(C)cn1 ZINC000922214740 967602378 /nfs/dbraw/zinc/60/23/78/967602378.db2.gz SAIDZJIOGWZWBS-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO c1nc(C[N@@H+]2CCOCC3(CC3)C2)cn1C1CC1 ZINC001205391216 967605108 /nfs/dbraw/zinc/60/51/08/967605108.db2.gz LLHHCEFTTXGJJW-UHFFFAOYSA-N 1 2 247.342 1.830 20 0 BDADLO c1nc(C[N@H+]2CCOCC3(CC3)C2)cn1C1CC1 ZINC001205391216 967605126 /nfs/dbraw/zinc/60/51/26/967605126.db2.gz LLHHCEFTTXGJJW-UHFFFAOYSA-N 1 2 247.342 1.830 20 0 BDADLO Fc1cc(CCn2cc[nH+]c2)cc(F)n1 ZINC001250318297 967687374 /nfs/dbraw/zinc/68/73/74/967687374.db2.gz AJIIHCGMBMMFSC-UHFFFAOYSA-N 1 2 209.199 1.799 20 0 BDADLO COC(=O)c1cncc(CCn2cc[nH+]c2)c1 ZINC001250318978 967693367 /nfs/dbraw/zinc/69/33/67/967693367.db2.gz OHDVUSBWVBDRPI-UHFFFAOYSA-N 1 2 231.255 1.307 20 0 BDADLO COc1nc(OC)c(CCn2cc[nH+]c2)cc1C ZINC001250319468 967694517 /nfs/dbraw/zinc/69/45/17/967694517.db2.gz DVMNNVODYBMZCS-UHFFFAOYSA-N 1 2 247.298 1.846 20 0 BDADLO c1cn(CCc2cccc3c2OCCO3)c[nH+]1 ZINC001250319471 967694742 /nfs/dbraw/zinc/69/47/42/967694742.db2.gz RSESJNOXXPGEII-UHFFFAOYSA-N 1 2 230.267 1.897 20 0 BDADLO CN(C)c1cncc(CCn2cc[nH+]c2)c1 ZINC001250320240 967697136 /nfs/dbraw/zinc/69/71/36/967697136.db2.gz ZZKCBKGMLLXTDZ-UHFFFAOYSA-N 1 2 216.288 1.587 20 0 BDADLO O=S1(=O)CC=C(CCn2cc[nH+]c2)CC1 ZINC001250320519 967698074 /nfs/dbraw/zinc/69/80/74/967698074.db2.gz NSVFHLBLNJVHNV-UHFFFAOYSA-N 1 2 226.301 1.018 20 0 BDADLO CN(C)c1ccc(Cc2ncccn2)c[nH+]1 ZINC001250344284 967737449 /nfs/dbraw/zinc/73/74/49/967737449.db2.gz ZEGQUSNLRLSSAB-UHFFFAOYSA-N 1 2 214.272 1.528 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1)c1cn(C)nn1 ZINC000715923251 967749417 /nfs/dbraw/zinc/74/94/17/967749417.db2.gz QSZGQKKQNCPTPW-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO CC(F)(F)CNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001162227750 967761922 /nfs/dbraw/zinc/76/19/22/967761922.db2.gz AOFFPPIUNWOUNX-UHFFFAOYSA-N 1 2 243.213 1.480 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2nn(C)cc2C1 ZINC001205799517 967823368 /nfs/dbraw/zinc/82/33/68/967823368.db2.gz AHBHJWOEPPZFJC-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2nn(C)cc2C1 ZINC001205799517 967823371 /nfs/dbraw/zinc/82/33/71/967823371.db2.gz AHBHJWOEPPZFJC-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2ncncc2C1 ZINC001205800389 967827504 /nfs/dbraw/zinc/82/75/04/967827504.db2.gz STBLUGFVYOKHHL-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2ncncc2C1 ZINC001205800389 967827509 /nfs/dbraw/zinc/82/75/09/967827509.db2.gz STBLUGFVYOKHHL-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(C)nc1N)C2 ZINC001143207828 967842570 /nfs/dbraw/zinc/84/25/70/967842570.db2.gz IAQHDNQDNLTAHO-JSGCOSHPSA-N 1 2 247.342 1.726 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(C)nc1N)C2 ZINC001143207828 967842571 /nfs/dbraw/zinc/84/25/71/967842571.db2.gz IAQHDNQDNLTAHO-JSGCOSHPSA-N 1 2 247.342 1.726 20 0 BDADLO Cc1ncc(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001205852872 967857541 /nfs/dbraw/zinc/85/75/41/967857541.db2.gz BAHNXBRYDVZYMJ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1cnccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001205862655 967862494 /nfs/dbraw/zinc/86/24/94/967862494.db2.gz KFRCIQUAMGCYPL-TXEJJXNPSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cnccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001205862655 967862497 /nfs/dbraw/zinc/86/24/97/967862497.db2.gz KFRCIQUAMGCYPL-TXEJJXNPSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cnccc1C[NH+]1CC2(CN(C)C2)C1 ZINC001205874143 967868080 /nfs/dbraw/zinc/86/80/80/967868080.db2.gz ZLCNRBILYXHAPK-UHFFFAOYSA-N 1 2 217.316 1.137 20 0 BDADLO Cn1cnc2ncc(NC(=[NH2+])C(C)(C)C)nc21 ZINC001162666099 967886534 /nfs/dbraw/zinc/88/65/34/967886534.db2.gz ZXWDRXVJEGQHLN-UHFFFAOYSA-N 1 2 232.291 1.799 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)co1 ZINC001206047920 968016088 /nfs/dbraw/zinc/01/60/88/968016088.db2.gz BKTGOLYGRBDLRQ-AAEUAGOBSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)co1 ZINC001206047920 968016098 /nfs/dbraw/zinc/01/60/98/968016098.db2.gz BKTGOLYGRBDLRQ-AAEUAGOBSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc([S-])cc2)C[C@H]1[NH3+] ZINC001206070641 968041112 /nfs/dbraw/zinc/04/11/12/968041112.db2.gz OGGMHFPUHBCXFQ-BXKDBHETSA-N 1 2 222.357 1.754 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)C[C@H]1[NH3+] ZINC001206070641 968041118 /nfs/dbraw/zinc/04/11/18/968041118.db2.gz OGGMHFPUHBCXFQ-BXKDBHETSA-N 1 2 222.357 1.754 20 0 BDADLO CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001064043573 968092552 /nfs/dbraw/zinc/09/25/52/968092552.db2.gz TVAHHQBUFWGJTL-RYUDHWBXSA-N 1 2 248.330 1.502 20 0 BDADLO CCN(Cc1sc(C)nc1C)C1C[NH+](C)C1 ZINC001206191988 968118348 /nfs/dbraw/zinc/11/83/48/968118348.db2.gz ASMYBUWKCSQLNA-UHFFFAOYSA-N 1 2 239.388 1.896 20 0 BDADLO Cc1nc(N2CC[C@@H](CO)[C@H]2C)c2c([nH+]1)CCC2 ZINC001164055750 968163151 /nfs/dbraw/zinc/16/31/51/968163151.db2.gz BXFCSSLSTUHLOJ-KOLCDFICSA-N 1 2 247.342 1.481 20 0 BDADLO Cn1ccc(C[N@H+](C)C2CC(F)(F)C2)n1 ZINC001206257266 968175821 /nfs/dbraw/zinc/17/58/21/968175821.db2.gz VDBRZLDDSIBTDN-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO Cn1ccc(C[N@@H+](C)C2CC(F)(F)C2)n1 ZINC001206257266 968175827 /nfs/dbraw/zinc/17/58/27/968175827.db2.gz VDBRZLDDSIBTDN-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO CCCc1cc(N2C[C@@H](C)C[C@H]2CO)nc(C)[nH+]1 ZINC001164152744 968179084 /nfs/dbraw/zinc/17/90/84/968179084.db2.gz RFAYVLDEDNTGNY-GWCFXTLKSA-N 1 2 249.358 1.945 20 0 BDADLO CC(C)c1ccc(N2CCCNC(=O)C2)[nH+]c1 ZINC001164280398 968208615 /nfs/dbraw/zinc/20/86/15/968208615.db2.gz ZDIJIGYOSVKPLA-UHFFFAOYSA-N 1 2 233.315 1.531 20 0 BDADLO COc1cc[nH+]cc1NC[C@H](O)C(F)(F)F ZINC001250960314 968223644 /nfs/dbraw/zinc/22/36/44/968223644.db2.gz DSSXADLGCDFWJC-QMMMGPOBSA-N 1 2 236.193 1.425 20 0 BDADLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)cc1C ZINC001164497665 968236029 /nfs/dbraw/zinc/23/60/29/968236029.db2.gz JYIAMNUYXWEXSC-UHFFFAOYSA-N 1 2 241.285 1.743 20 0 BDADLO O[C@@H](CNc1cc[nH+]nc1)COc1ccccc1 ZINC001251154345 968270870 /nfs/dbraw/zinc/27/08/70/968270870.db2.gz VTQWRQRPTNAVGZ-LBPRGKRZSA-N 1 2 245.282 1.328 20 0 BDADLO CN(C[C@H](O)CO)c1cc2ccccc2c[nH+]1 ZINC001165530568 968288871 /nfs/dbraw/zinc/28/88/71/968288871.db2.gz XAEDVRGMQGUHNX-LBPRGKRZSA-N 1 2 232.283 1.024 20 0 BDADLO C[C@H](CCO)Nc1ccn2cc(N)[nH+]c2c1 ZINC001165905739 968302107 /nfs/dbraw/zinc/30/21/07/968302107.db2.gz QRYAEELSRLPBRD-MRVPVSSYSA-N 1 2 220.276 1.099 20 0 BDADLO CC[C@@H](O)CNc1ccc[nH+]c1N1CCCC1 ZINC001251756594 968310714 /nfs/dbraw/zinc/31/07/14/968310714.db2.gz AVXYNRVFHLYITP-LLVKDONJSA-N 1 2 235.331 1.865 20 0 BDADLO O=C(N1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727840426 968316032 /nfs/dbraw/zinc/31/60/32/968316032.db2.gz CVNMAEVJOFCMFR-LLVKDONJSA-N 1 2 248.330 1.805 20 0 BDADLO Cc1cn2cc(-c3cnn(CCO)c3)ccc2[nH+]1 ZINC001206570643 968390322 /nfs/dbraw/zinc/39/03/22/968390322.db2.gz CBQZGCQTOLWOQM-UHFFFAOYSA-N 1 2 242.282 1.499 20 0 BDADLO C[C@H](O)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001251964377 968403292 /nfs/dbraw/zinc/40/32/92/968403292.db2.gz MJGDCRRVTFDTQN-NSHDSACASA-N 1 2 231.299 1.724 20 0 BDADLO CCC[C@H]([NH2+]C[C@H](C)O)C(=O)OC(C)(C)C ZINC001251971828 968410396 /nfs/dbraw/zinc/41/03/96/968410396.db2.gz QLTCXQZKDQGVJF-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO Nc1cccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c1 ZINC001206683959 968431841 /nfs/dbraw/zinc/43/18/41/968431841.db2.gz OJAMTHOYSQMARQ-NSHDSACASA-N 1 2 241.285 1.437 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1Nc1ccn[nH]c1=O ZINC001206730212 968444611 /nfs/dbraw/zinc/44/46/11/968444611.db2.gz WMQCOBDSMXQZFC-UHFFFAOYSA-N 1 2 245.286 1.695 20 0 BDADLO Cc1ccnc(C[N@H+](C)Cc2ccncn2)c1 ZINC001206853081 968498394 /nfs/dbraw/zinc/49/83/94/968498394.db2.gz LKWYALWQDDHHMG-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccnc(C[N@@H+](C)Cc2ccncn2)c1 ZINC001206853081 968498396 /nfs/dbraw/zinc/49/83/96/968498396.db2.gz LKWYALWQDDHHMG-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(F)cncc2F)CC[C@@H]1O ZINC001206855982 968501996 /nfs/dbraw/zinc/50/19/96/968501996.db2.gz RLQRLMOMLGCRJA-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(F)cncc2F)CC[C@@H]1O ZINC001206855982 968501999 /nfs/dbraw/zinc/50/19/99/968501999.db2.gz RLQRLMOMLGCRJA-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@]1(CO)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206856387 968504994 /nfs/dbraw/zinc/50/49/94/968504994.db2.gz UNKFOBZNAYLECB-GFCCVEGCSA-N 1 2 242.269 1.564 20 0 BDADLO C[C@@]1(CO)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206856387 968504999 /nfs/dbraw/zinc/50/49/99/968504999.db2.gz UNKFOBZNAYLECB-GFCCVEGCSA-N 1 2 242.269 1.564 20 0 BDADLO [NH3+][C@@]1(c2nc(-c3ccccc3)no2)CCOC1 ZINC000085850451 968506589 /nfs/dbraw/zinc/50/65/89/968506589.db2.gz CDRDQRVNZLCGPS-LBPRGKRZSA-N 1 2 231.255 1.311 20 0 BDADLO C[N@H+](Cc1cscn1)Cc1ccc[nH]c1=O ZINC001207006199 968532082 /nfs/dbraw/zinc/53/20/82/968532082.db2.gz CCGJDMZLBPGNCO-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cscn1)Cc1ccc[nH]c1=O ZINC001207006199 968532087 /nfs/dbraw/zinc/53/20/87/968532087.db2.gz CCGJDMZLBPGNCO-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO Fc1cccnc1CN1CCn2c[nH+]cc2C1 ZINC001207034743 968564576 /nfs/dbraw/zinc/56/45/76/968564576.db2.gz WWHCTQXZYQDRQZ-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO C[N@H+](Cc1ncccc1F)[C@@H]1CCOC1 ZINC001207033041 968564705 /nfs/dbraw/zinc/56/47/05/968564705.db2.gz NYGRABPMGBIEIA-SECBINFHSA-N 1 2 210.252 1.441 20 0 BDADLO C[N@@H+](Cc1ncccc1F)[C@@H]1CCOC1 ZINC001207033041 968564710 /nfs/dbraw/zinc/56/47/10/968564710.db2.gz NYGRABPMGBIEIA-SECBINFHSA-N 1 2 210.252 1.441 20 0 BDADLO CCCC[C@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001252095718 968571324 /nfs/dbraw/zinc/57/13/24/968571324.db2.gz FFEYWJLGMXNKDW-LBPRGKRZSA-N 1 2 243.347 1.565 20 0 BDADLO CCCC[C@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001252095718 968571333 /nfs/dbraw/zinc/57/13/33/968571333.db2.gz FFEYWJLGMXNKDW-LBPRGKRZSA-N 1 2 243.347 1.565 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ncccc1F ZINC001207037195 968571270 /nfs/dbraw/zinc/57/12/70/968571270.db2.gz RRQLDBDDRARXLY-SECBINFHSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ncccc1F ZINC001207037195 968571278 /nfs/dbraw/zinc/57/12/78/968571278.db2.gz RRQLDBDDRARXLY-SECBINFHSA-N 1 2 210.252 1.441 20 0 BDADLO CC[N@@H+](Cc1ccc(F)cn1)C1CN(C)C1 ZINC001207043010 968575579 /nfs/dbraw/zinc/57/55/79/968575579.db2.gz CCOIKMRBLQISSZ-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO CC[N@H+](Cc1ccc(F)cn1)C1CN(C)C1 ZINC001207043010 968575575 /nfs/dbraw/zinc/57/55/75/968575575.db2.gz CCOIKMRBLQISSZ-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CCC1=O ZINC001207065934 968596500 /nfs/dbraw/zinc/59/65/00/968596500.db2.gz ZRSRQUQSWMXREG-JTQLQIEISA-N 1 2 234.299 1.588 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CCC1=O ZINC001207065934 968596512 /nfs/dbraw/zinc/59/65/12/968596512.db2.gz ZRSRQUQSWMXREG-JTQLQIEISA-N 1 2 234.299 1.588 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207065679 968597123 /nfs/dbraw/zinc/59/71/23/968597123.db2.gz UQWOIGLWBLUNTJ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207065679 968597118 /nfs/dbraw/zinc/59/71/18/968597118.db2.gz UQWOIGLWBLUNTJ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](F)C[C@H]2C)cn1 ZINC001207071540 968604301 /nfs/dbraw/zinc/60/43/01/968604301.db2.gz CKPKFSNXUXDPFN-ZJUUUORDSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](F)C[C@H]2C)cn1 ZINC001207071540 968604291 /nfs/dbraw/zinc/60/42/91/968604291.db2.gz CKPKFSNXUXDPFN-ZJUUUORDSA-N 1 2 209.268 1.717 20 0 BDADLO CCOC(=O)[C@H](CC(C)(C)F)[NH2+]CC(C)(C)O ZINC001252367654 968648208 /nfs/dbraw/zinc/64/82/08/968648208.db2.gz TXOPYYVETAVQGJ-VIFPVBQESA-N 1 2 249.326 1.417 20 0 BDADLO CC(C)S(=O)(=O)Nc1cccc2[nH+]ccn21 ZINC001252406757 968658405 /nfs/dbraw/zinc/65/84/05/968658405.db2.gz LQXQYXVCTXUYCX-UHFFFAOYSA-N 1 2 239.300 1.484 20 0 BDADLO Cc1ncccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001207153953 968661337 /nfs/dbraw/zinc/66/13/37/968661337.db2.gz JVPWIABCEHBXBI-BETUJISGSA-N 1 2 246.310 1.037 20 0 BDADLO Cc1ncccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001207153953 968661344 /nfs/dbraw/zinc/66/13/44/968661344.db2.gz JVPWIABCEHBXBI-BETUJISGSA-N 1 2 246.310 1.037 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001207161344 968672081 /nfs/dbraw/zinc/67/20/81/968672081.db2.gz ZRCOZJAMYDLATL-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001207161344 968672088 /nfs/dbraw/zinc/67/20/88/968672088.db2.gz ZRCOZJAMYDLATL-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1nccc(C[N@@H+]2CCc3occc3C2)n1 ZINC001207169515 968680678 /nfs/dbraw/zinc/68/06/78/968680678.db2.gz WZMJULUNWBRWMH-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1nccc(C[N@H+]2CCc3occc3C2)n1 ZINC001207169515 968680683 /nfs/dbraw/zinc/68/06/83/968680683.db2.gz WZMJULUNWBRWMH-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO N#CN1CC[NH+](CCOCc2ccccc2)CC1 ZINC001207237021 968686640 /nfs/dbraw/zinc/68/66/40/968686640.db2.gz CEICXJXAEUXOBY-UHFFFAOYSA-N 1 2 245.326 1.302 20 0 BDADLO CCOC1C[NH+](CCOCc2ccccc2)C1 ZINC001207228607 968687645 /nfs/dbraw/zinc/68/76/45/968687645.db2.gz QPCMZJMNICLHGC-UHFFFAOYSA-N 1 2 235.327 1.924 20 0 BDADLO O=C(C1CCCC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827957824 968724812 /nfs/dbraw/zinc/72/48/12/968724812.db2.gz CIVZILABXKNIKV-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO O=C1C[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CCO1 ZINC001207631543 968849539 /nfs/dbraw/zinc/84/95/39/968849539.db2.gz JAKTVWCVMIDVOC-AXFHLTTASA-N 1 2 207.273 1.057 20 0 BDADLO O=C1C[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CCO1 ZINC001207631543 968849543 /nfs/dbraw/zinc/84/95/43/968849543.db2.gz JAKTVWCVMIDVOC-AXFHLTTASA-N 1 2 207.273 1.057 20 0 BDADLO CC(C)n1c[nH+]cc1CNS(=O)(=O)C(C)C ZINC001252599374 968857477 /nfs/dbraw/zinc/85/74/77/968857477.db2.gz RDEMCBYWENKPKK-UHFFFAOYSA-N 1 2 245.348 1.292 20 0 BDADLO CCCn1c[nH+]cc1CNCc1ccon1 ZINC000088052716 968870894 /nfs/dbraw/zinc/87/08/94/968870894.db2.gz YLZSPMNNGTUCMA-UHFFFAOYSA-N 1 2 220.276 1.571 20 0 BDADLO c1cc([C@@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)ccn1 ZINC001207887293 968914968 /nfs/dbraw/zinc/91/49/68/968914968.db2.gz FRAHZGWJQPEJQO-KBPBESRZSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)ccn1 ZINC001207887293 968914982 /nfs/dbraw/zinc/91/49/82/968914982.db2.gz FRAHZGWJQPEJQO-KBPBESRZSA-N 1 2 248.326 1.634 20 0 BDADLO c1cncc(OC2C[NH+](C[C@@H]3CCCCO3)C2)c1 ZINC001207957363 968954010 /nfs/dbraw/zinc/95/40/10/968954010.db2.gz FWKPSLRQHKDBHO-ZDUSSCGKSA-N 1 2 248.326 1.714 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(N)cn1 ZINC001241242497 968961486 /nfs/dbraw/zinc/96/14/86/968961486.db2.gz FKAMHBGWDSBEFS-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO COc1cccc(-c2nnc(C[NH+]3CCC3)o2)c1 ZINC001253316560 969133039 /nfs/dbraw/zinc/13/30/39/969133039.db2.gz JQZIUXCVLLCSML-UHFFFAOYSA-N 1 2 245.282 1.951 20 0 BDADLO COC(=O)COc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242018264 969169795 /nfs/dbraw/zinc/16/97/95/969169795.db2.gz CEVCTSHSPIHXSQ-UHFFFAOYSA-N 1 2 232.239 1.629 20 0 BDADLO Cc1nc(NC[C@H](O)COC(C)(C)C)cc[nH+]1 ZINC001253440583 969173815 /nfs/dbraw/zinc/17/38/15/969173815.db2.gz ARPOCWRZHHCURN-JTQLQIEISA-N 1 2 239.319 1.373 20 0 BDADLO CC(C)OC1C[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC001253459145 969182584 /nfs/dbraw/zinc/18/25/84/969182584.db2.gz JBXBDBXATQNJOP-LLVKDONJSA-N 1 2 245.363 1.272 20 0 BDADLO CC(=O)N1CCC(C[NH+]2CC(C)(F)C2)CC1 ZINC001208672260 969189525 /nfs/dbraw/zinc/18/95/25/969189525.db2.gz QIFMRWGPDXRCLD-UHFFFAOYSA-N 1 2 228.311 1.289 20 0 BDADLO Fc1cccc2c1C[N@H+](CC1=NOCC1)CC2 ZINC001168893833 969255007 /nfs/dbraw/zinc/25/50/07/969255007.db2.gz MHDWISKGNQGTPX-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO Fc1cccc2c1C[N@@H+](CC1=NOCC1)CC2 ZINC001168893833 969255015 /nfs/dbraw/zinc/25/50/15/969255015.db2.gz MHDWISKGNQGTPX-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO C[C@H](C[N@@H+]1C[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208895831 969285741 /nfs/dbraw/zinc/28/57/41/969285741.db2.gz MVTHNQZSRXYENZ-DSYKOEDSSA-N 1 2 215.190 1.199 20 0 BDADLO C[C@H](C[N@H+]1C[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208895831 969285747 /nfs/dbraw/zinc/28/57/47/969285747.db2.gz MVTHNQZSRXYENZ-DSYKOEDSSA-N 1 2 215.190 1.199 20 0 BDADLO CCN(C[C@@H](C)C(F)(F)F)C1C[NH+](C)C1 ZINC001208900115 969292296 /nfs/dbraw/zinc/29/22/96/969292296.db2.gz ITULVDXBDKUDJS-MRVPVSSYSA-N 1 2 224.270 1.821 20 0 BDADLO CCC(=O)C(C)(C)C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001208919022 969306298 /nfs/dbraw/zinc/30/62/98/969306298.db2.gz ULCQFGVAXUHRRX-RKDXNWHRSA-N 1 2 219.275 1.984 20 0 BDADLO CCOC(=O)CC[N@H+](C)CC(=O)c1ccccc1 ZINC001209035854 969330928 /nfs/dbraw/zinc/33/09/28/969330928.db2.gz CIIZLMKQYJXHHV-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO CCOC(=O)CC[N@@H+](C)CC(=O)c1ccccc1 ZINC001209035854 969330934 /nfs/dbraw/zinc/33/09/34/969330934.db2.gz CIIZLMKQYJXHHV-UHFFFAOYSA-N 1 2 249.310 1.754 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001209034527 969331746 /nfs/dbraw/zinc/33/17/46/969331746.db2.gz PNYHTLDWSVDZCB-MRVPVSSYSA-N 1 2 239.237 1.619 20 0 BDADLO CCOC(=O)CC[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001209034527 969331752 /nfs/dbraw/zinc/33/17/52/969331752.db2.gz PNYHTLDWSVDZCB-MRVPVSSYSA-N 1 2 239.237 1.619 20 0 BDADLO CC(C)(C)[C@@H](O)C[NH+]1CC(F)(C2CC2)C1 ZINC001253715273 969339255 /nfs/dbraw/zinc/33/92/55/969339255.db2.gz HZLHOJGSIRVSQQ-JTQLQIEISA-N 1 2 215.312 1.827 20 0 BDADLO CCOC(C)(C)C[N@@H+]1Cc2cnn(C)c2C1 ZINC001209073772 969346376 /nfs/dbraw/zinc/34/63/76/969346376.db2.gz ZGPHBCYSEQKLIL-UHFFFAOYSA-N 1 2 223.320 1.551 20 0 BDADLO CCOC(C)(C)C[N@H+]1Cc2cnn(C)c2C1 ZINC001209073772 969346382 /nfs/dbraw/zinc/34/63/82/969346382.db2.gz ZGPHBCYSEQKLIL-UHFFFAOYSA-N 1 2 223.320 1.551 20 0 BDADLO CC(C)(C)[C@@H](O)C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001253722667 969346545 /nfs/dbraw/zinc/34/65/45/969346545.db2.gz WTVNFEPCSOLXKG-HLTSFMKQSA-N 1 2 207.264 1.385 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001253756840 969375212 /nfs/dbraw/zinc/37/52/12/969375212.db2.gz KCUYLLBCLJJRPK-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001253756840 969375220 /nfs/dbraw/zinc/37/52/20/969375220.db2.gz KCUYLLBCLJJRPK-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO Cn1c[nH+]c2ccc(NCC3OCCO3)cc21 ZINC001169065014 969377784 /nfs/dbraw/zinc/37/77/84/969377784.db2.gz YAGZRVABCOFPGV-UHFFFAOYSA-N 1 2 233.271 1.358 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)n[nH]1 ZINC001254019527 969450703 /nfs/dbraw/zinc/45/07/03/969450703.db2.gz UBXQCVGBBKVPGP-LLVKDONJSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](CO)C(C)(C)C)n[nH]1 ZINC001254019527 969450706 /nfs/dbraw/zinc/45/07/06/969450706.db2.gz UBXQCVGBBKVPGP-LLVKDONJSA-N 1 2 225.336 1.557 20 0 BDADLO COC(C)(C)CC[N@@H+]1Cc2cnn(C)c2C1 ZINC001209407869 969473217 /nfs/dbraw/zinc/47/32/17/969473217.db2.gz PLKMZAOGXKISPJ-UHFFFAOYSA-N 1 2 223.320 1.551 20 0 BDADLO COC(C)(C)CC[N@H+]1Cc2cnn(C)c2C1 ZINC001209407869 969473222 /nfs/dbraw/zinc/47/32/22/969473222.db2.gz PLKMZAOGXKISPJ-UHFFFAOYSA-N 1 2 223.320 1.551 20 0 BDADLO C1=[NH+]c2nccc(=C3NN=C(C4CC4)O3)c2=C1 ZINC001254087135 969488041 /nfs/dbraw/zinc/48/80/41/969488041.db2.gz AQXFRFRGAZIFLQ-VIFPVBQESA-N 1 2 226.239 1.967 20 0 BDADLO C[NH+](C)Cc1cn([C@H]2CCCCC[C@@H]2O)nn1 ZINC001254130059 969520648 /nfs/dbraw/zinc/52/06/48/969520648.db2.gz UXZMFTCUYVMSPX-RYUDHWBXSA-N 1 2 238.335 1.206 20 0 BDADLO CC[N@H+](CCCC(=O)OC)Cc1cn[nH]c1C ZINC001209555144 969544121 /nfs/dbraw/zinc/54/41/21/969544121.db2.gz UYTMIRJDTSNGNN-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO CC[N@@H+](CCCC(=O)OC)Cc1cn[nH]c1C ZINC001209555144 969544126 /nfs/dbraw/zinc/54/41/26/969544126.db2.gz UYTMIRJDTSNGNN-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO C[C@@]1(F)CCCC[N@@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001254332520 969563980 /nfs/dbraw/zinc/56/39/80/969563980.db2.gz XJHMNPVEPWETAP-WDEREUQCSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@@]1(F)CCCC[N@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001254332520 969563985 /nfs/dbraw/zinc/56/39/85/969563985.db2.gz XJHMNPVEPWETAP-WDEREUQCSA-N 1 2 249.351 1.388 20 0 BDADLO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001209650349 969572385 /nfs/dbraw/zinc/57/23/85/969572385.db2.gz IATMHQQBXACJEZ-RYUDHWBXSA-N 1 2 243.310 1.616 20 0 BDADLO Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001209650349 969572392 /nfs/dbraw/zinc/57/23/92/969572392.db2.gz IATMHQQBXACJEZ-RYUDHWBXSA-N 1 2 243.310 1.616 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnccc2N)CCCO1 ZINC001209727056 969579320 /nfs/dbraw/zinc/57/93/20/969579320.db2.gz IYYDZAJVGKTHKT-JTQLQIEISA-N 1 2 221.304 1.105 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnccc2N)CCCO1 ZINC001209727056 969579329 /nfs/dbraw/zinc/57/93/29/969579329.db2.gz IYYDZAJVGKTHKT-JTQLQIEISA-N 1 2 221.304 1.105 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCCOC1 ZINC001254367175 969579409 /nfs/dbraw/zinc/57/94/09/969579409.db2.gz CUEMGKNNNRWUCE-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO Nc1cc[nH+]cc1CN1CCC[C@H](C(F)F)C1 ZINC001209731599 969595564 /nfs/dbraw/zinc/59/55/64/969595564.db2.gz ULGMBGQIPAVSMX-VIFPVBQESA-N 1 2 241.285 1.971 20 0 BDADLO N=c1scc(N)n1-c1ccc2[nH]c[nH+]c2c1 ZINC001209842472 969651606 /nfs/dbraw/zinc/65/16/06/969651606.db2.gz KZXANAJFBFKIBL-UHFFFAOYSA-N 1 2 231.284 1.477 20 0 BDADLO c1[nH]c2ccc(Nc3cc4n(n3)CCO4)cc2[nH+]1 ZINC001209848295 969662523 /nfs/dbraw/zinc/66/25/23/969662523.db2.gz LFJIRGVBYKGQDU-UHFFFAOYSA-N 1 2 241.254 1.895 20 0 BDADLO Nc1n[nH]c2ccc(Nc3[nH+]cccc3N)cc12 ZINC001209853644 969665388 /nfs/dbraw/zinc/66/53/88/969665388.db2.gz NZNHXFPUPVXHAE-UHFFFAOYSA-N 1 2 240.270 1.866 20 0 BDADLO Cn1nnnc1Nc1ccc2c[nH+]ccc2c1 ZINC001210044216 969773413 /nfs/dbraw/zinc/77/34/13/969773413.db2.gz NGAMRWHKHGTBIW-UHFFFAOYSA-N 1 2 226.243 1.502 20 0 BDADLO COCc1cc[nH+]c(NCC(=O)N2CCCC2)c1 ZINC001156347498 969797257 /nfs/dbraw/zinc/79/72/57/969797257.db2.gz MHCLGQIRDDPENC-UHFFFAOYSA-N 1 2 249.314 1.262 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccn2ccnc2c1 ZINC001169653051 969800993 /nfs/dbraw/zinc/80/09/93/969800993.db2.gz DTAXNGFXAMGZCD-GFCCVEGCSA-N 1 2 246.314 1.077 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccn2ccnc2c1 ZINC001169653051 969800999 /nfs/dbraw/zinc/80/09/99/969800999.db2.gz DTAXNGFXAMGZCD-GFCCVEGCSA-N 1 2 246.314 1.077 20 0 BDADLO CCc1ccncc1NC[C@H]1COCC[N@@H+]1C ZINC001169657482 969803495 /nfs/dbraw/zinc/80/34/95/969803495.db2.gz RXRNWZUZJWTBMI-LBPRGKRZSA-N 1 2 235.331 1.387 20 0 BDADLO CCc1ccncc1NC[C@H]1COCC[N@H+]1C ZINC001169657482 969803499 /nfs/dbraw/zinc/80/34/99/969803499.db2.gz RXRNWZUZJWTBMI-LBPRGKRZSA-N 1 2 235.331 1.387 20 0 BDADLO F[C@H]1CCCC[C@H]1OCC[NH+]1CCOCC1 ZINC001210224951 969837591 /nfs/dbraw/zinc/83/75/91/969837591.db2.gz LLJKXQOVBSGLLP-NWDGAFQWSA-N 1 2 231.311 1.616 20 0 BDADLO COC(=O)c1[nH+]ccc(NC[C@H](C)OC)c1C ZINC001169777902 969842616 /nfs/dbraw/zinc/84/26/16/969842616.db2.gz IGFRSIYTBBJPQN-QMMMGPOBSA-N 1 2 238.287 1.045 20 0 BDADLO Cc1[nH+]cc(Nc2ncccn2)cc1N ZINC001210283886 969851444 /nfs/dbraw/zinc/85/14/44/969851444.db2.gz CMBLKTBWCQMYSO-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO Cc1[nH+]cc(Nc2ccc(C(N)=O)nc2)cc1N ZINC001210286898 969853864 /nfs/dbraw/zinc/85/38/64/969853864.db2.gz GHLMFUFWBXTZLN-UHFFFAOYSA-N 1 2 243.270 1.210 20 0 BDADLO Cc1[nH+]cc(Nc2sccc2C(N)=O)cc1N ZINC001210287432 969854458 /nfs/dbraw/zinc/85/44/58/969854458.db2.gz SXSBUFKCOBZTPL-UHFFFAOYSA-N 1 2 248.311 1.876 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccn(C)n1 ZINC001210351994 969876928 /nfs/dbraw/zinc/87/69/28/969876928.db2.gz DVCCBZQPHRGCSK-UHFFFAOYSA-N 1 2 227.271 1.650 20 0 BDADLO O=C1NCc2ccccc2[C@H]1Nc1cccc[nH+]1 ZINC001169876763 969877948 /nfs/dbraw/zinc/87/79/48/969877948.db2.gz DULOGCVBJXLPAZ-CYBMUJFWSA-N 1 2 239.278 1.865 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C1CCSCC1 ZINC001255087517 969919436 /nfs/dbraw/zinc/91/94/36/969919436.db2.gz DJWSEUOCSXKOCA-SCZZXKLOSA-N 1 2 247.335 1.467 20 0 BDADLO c1[nH]cc(CCc2nnc(C3CCC3)o2)[nH+]1 ZINC001255182899 970000082 /nfs/dbraw/zinc/00/00/82/970000082.db2.gz VHJQLQDRGGAHLS-UHFFFAOYSA-N 1 2 218.260 1.845 20 0 BDADLO CN1CC[N@H+](C)C[C@H]1c1nnc(C2CCC2)o1 ZINC001255221081 970009014 /nfs/dbraw/zinc/00/90/14/970009014.db2.gz QOBRVOPFOAZKPL-JTQLQIEISA-N 1 2 236.319 1.255 20 0 BDADLO CN1CC[N@@H+](C)C[C@H]1c1nnc(C2CCC2)o1 ZINC001255221081 970009018 /nfs/dbraw/zinc/00/90/18/970009018.db2.gz QOBRVOPFOAZKPL-JTQLQIEISA-N 1 2 236.319 1.255 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCSC2)CCC1 ZINC001255267924 970020729 /nfs/dbraw/zinc/02/07/29/970020729.db2.gz UNLXOGRHYPLHEZ-MRVPVSSYSA-N 1 2 215.318 1.177 20 0 BDADLO Cc1nc(NC2(CNC(=O)C(C)C)CC2)cc[nH+]1 ZINC001110057334 970062871 /nfs/dbraw/zinc/06/28/71/970062871.db2.gz MYJUORIHHNALKB-UHFFFAOYSA-N 1 2 248.330 1.502 20 0 BDADLO [NH2+]=CNc1cc(C(=O)N2CCCC2)ccn1 ZINC001157077616 970074172 /nfs/dbraw/zinc/07/41/72/970074172.db2.gz GPCRXCIKOPPIQI-UHFFFAOYSA-N 1 2 218.260 1.337 20 0 BDADLO CCCC[C@H](C)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001255314881 970086802 /nfs/dbraw/zinc/08/68/02/970086802.db2.gz WTFWZTMDUXNXCH-HBNTYKKESA-N 1 2 231.336 1.467 20 0 BDADLO O=c1cc(-c2ccccc2)[nH]n1C1CC[NH2+]CC1 ZINC000200535552 970123708 /nfs/dbraw/zinc/12/37/08/970123708.db2.gz UUAIIASQPQRFPI-UHFFFAOYSA-N 1 2 243.310 1.375 20 0 BDADLO CCc1coc(C[NH2+][C@@H]2CCN(C)C2)n1 ZINC001255411701 970126960 /nfs/dbraw/zinc/12/69/60/970126960.db2.gz BASXHTWEWZTHPP-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO C[N@@H+]1CC[C@H](NCC(=O)c2ccccc2F)C1 ZINC001255411376 970131585 /nfs/dbraw/zinc/13/15/85/970131585.db2.gz HHLVEQHNTJKIQO-JTQLQIEISA-N 1 2 236.290 1.302 20 0 BDADLO C[N@H+]1CC[C@H](NCC(=O)c2ccccc2F)C1 ZINC001255411376 970131590 /nfs/dbraw/zinc/13/15/90/970131590.db2.gz HHLVEQHNTJKIQO-JTQLQIEISA-N 1 2 236.290 1.302 20 0 BDADLO CN1CCC[C@H]([NH2+][C@@H]2NC(=O)c3ccccc32)C1 ZINC001255472562 970203763 /nfs/dbraw/zinc/20/37/63/970203763.db2.gz BQANPRSIUOIPIB-GXFFZTMASA-N 1 2 245.326 1.112 20 0 BDADLO OCC1C[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000091464795 970232932 /nfs/dbraw/zinc/23/29/32/970232932.db2.gz WKRJVKTUSXYYSB-UHFFFAOYSA-N 1 2 244.294 1.766 20 0 BDADLO Cc1cc(NC2(CO)COC2)nc(C(C)C)[nH+]1 ZINC001157397543 970243564 /nfs/dbraw/zinc/24/35/64/970243564.db2.gz BVUVESYCALJBQW-UHFFFAOYSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cnccc1-c1noc([C@]2([NH3+])CCOC2)n1 ZINC000167477265 970249563 /nfs/dbraw/zinc/24/95/63/970249563.db2.gz SMDJBANMFXEQPL-LBPRGKRZSA-N 1 2 246.270 1.014 20 0 BDADLO Cc1cnccc1-c1noc([C@@]2([NH3+])CCOC2)n1 ZINC000167477372 970250793 /nfs/dbraw/zinc/25/07/93/970250793.db2.gz SMDJBANMFXEQPL-GFCCVEGCSA-N 1 2 246.270 1.014 20 0 BDADLO Cn1cncc1-c1ccn2cc(N)[nH+]c2c1 ZINC001243069736 970259506 /nfs/dbraw/zinc/25/95/06/970259506.db2.gz YCDZNQTUXYVJKT-UHFFFAOYSA-N 1 2 213.244 1.317 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(c1)CCCN2 ZINC001243071845 970286047 /nfs/dbraw/zinc/28/60/47/970286047.db2.gz HHLHUDHFSXVXQH-UHFFFAOYSA-N 1 2 214.272 1.483 20 0 BDADLO C[C@H](c1nnc([C@@H]2CCOC2)o1)n1cc[nH+]c1 ZINC001255539284 970315026 /nfs/dbraw/zinc/31/50/26/970315026.db2.gz DYHNUVMXYCEAKV-RKDXNWHRSA-N 1 2 234.259 1.379 20 0 BDADLO COC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001255552993 970331930 /nfs/dbraw/zinc/33/19/30/970331930.db2.gz JEAMVJVOGLHVJA-ZYHUDNBSSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(C)c(Nc2ncn(C)n2)c[nH+]1 ZINC001213503467 970333947 /nfs/dbraw/zinc/33/39/47/970333947.db2.gz HUAOHSAZKHUQAN-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001255576612 970378564 /nfs/dbraw/zinc/37/85/64/970378564.db2.gz IOXRVVIHFCGJDW-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001255576612 970378568 /nfs/dbraw/zinc/37/85/68/970378568.db2.gz IOXRVVIHFCGJDW-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO Cc1nc2cnc(NC3C[NH+](C(C)C)C3)nc2[nH]1 ZINC001157530965 970412499 /nfs/dbraw/zinc/41/24/99/970412499.db2.gz KCUCQHNNJRHCBF-UHFFFAOYSA-N 1 2 246.318 1.117 20 0 BDADLO c1[nH]cc(Cc2nnc(C3CCOCC3)o2)[nH+]1 ZINC001255664776 970444921 /nfs/dbraw/zinc/44/49/21/970444921.db2.gz OUASPJGSNILSEA-UHFFFAOYSA-N 1 2 234.259 1.278 20 0 BDADLO COC(=O)C[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256144374 970669944 /nfs/dbraw/zinc/66/99/44/970669944.db2.gz NTIDIUGAQWUVJS-SNVBAGLBSA-N 1 2 237.299 1.389 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC ZINC000401849546 970739228 /nfs/dbraw/zinc/73/92/28/970739228.db2.gz VZMJXNGFHDVDNP-MMWGEVLESA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2C(=O)CC23CCC3)C1 ZINC001327353261 972558170 /nfs/dbraw/zinc/55/81/70/972558170.db2.gz KPYGBHBNEBKXIV-GFCCVEGCSA-N 1 2 240.322 1.923 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2C(=O)CC23CCC3)C1 ZINC001327353261 972558178 /nfs/dbraw/zinc/55/81/78/972558178.db2.gz KPYGBHBNEBKXIV-GFCCVEGCSA-N 1 2 240.322 1.923 20 0 BDADLO CC[C@@H]1OC(=O)C(OCc2c[nH+]cn2C)=C1C ZINC001222595145 972591662 /nfs/dbraw/zinc/59/16/62/972591662.db2.gz QHXHIKGURIIELS-JTQLQIEISA-N 1 2 236.271 1.546 20 0 BDADLO COC[C@H](C)OC[C@H](C)OCc1c[nH+]cn1C ZINC001222599794 972599928 /nfs/dbraw/zinc/59/99/28/972599928.db2.gz FVWPFFKCBTTYTH-QWRGUYRKSA-N 1 2 242.319 1.377 20 0 BDADLO CCc1cc(C[NH+]2CC(O)C2)cc(CC)c1O ZINC001144138512 972607191 /nfs/dbraw/zinc/60/71/91/972607191.db2.gz XFYIFRDHRFCKSF-UHFFFAOYSA-N 1 2 235.327 1.694 20 0 BDADLO c1ccc(C[NH+]2CC(OC3COC3)C2)cc1 ZINC001222681788 972631412 /nfs/dbraw/zinc/63/14/12/972631412.db2.gz XXMUXXQPLFVWKT-UHFFFAOYSA-N 1 2 219.284 1.286 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144168949 972664787 /nfs/dbraw/zinc/66/47/87/972664787.db2.gz ROKOADIALDTTBZ-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO COC1C[NH+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144169170 972668619 /nfs/dbraw/zinc/66/86/19/972668619.db2.gz YXMCIQRRAIZLJK-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO OCC1C[NH+](Cc2[nH]nc3ccc(F)cc32)C1 ZINC001144200082 972671778 /nfs/dbraw/zinc/67/17/78/972671778.db2.gz XLUBSAHFMLWDOH-UHFFFAOYSA-N 1 2 235.262 1.126 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(O)cn2)cn1 ZINC001144253487 972724250 /nfs/dbraw/zinc/72/42/50/972724250.db2.gz ZJPLDHZVFQIJET-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(O)cn2)cn1 ZINC001144253487 972724261 /nfs/dbraw/zinc/72/42/61/972724261.db2.gz ZJPLDHZVFQIJET-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/c2ccncn2)o1 ZINC001327908212 972804685 /nfs/dbraw/zinc/80/46/85/972804685.db2.gz WPANQDLHDFSCKP-ONEGZZNKSA-N 1 2 231.259 1.092 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)nc1 ZINC001144428246 972813949 /nfs/dbraw/zinc/81/39/49/972813949.db2.gz YQKMSKMGYLIGBD-TVYUQYBPSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)nc1 ZINC001144428246 972813954 /nfs/dbraw/zinc/81/39/54/972813954.db2.gz YQKMSKMGYLIGBD-TVYUQYBPSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H]2C)cc1F ZINC001144454796 972826379 /nfs/dbraw/zinc/82/63/79/972826379.db2.gz KHVXPHLMRKMQJP-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H]2C)cc1F ZINC001144454796 972826383 /nfs/dbraw/zinc/82/63/83/972826383.db2.gz KHVXPHLMRKMQJP-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cc(O)cc1F ZINC001144542474 972860790 /nfs/dbraw/zinc/86/07/90/972860790.db2.gz ZHNOVIOZOWLZHG-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cc(O)cc1F ZINC001144542474 972860792 /nfs/dbraw/zinc/86/07/92/972860792.db2.gz ZHNOVIOZOWLZHG-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO COCC[N@H+](C)Cc1cc(F)c(O)cc1F ZINC001144647043 972909270 /nfs/dbraw/zinc/90/92/70/972909270.db2.gz WLIZUMPMKWFSEY-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO COCC[N@@H+](C)Cc1cc(F)c(O)cc1F ZINC001144647043 972909279 /nfs/dbraw/zinc/90/92/79/972909279.db2.gz WLIZUMPMKWFSEY-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO CON(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001328280566 972944098 /nfs/dbraw/zinc/94/40/98/972944098.db2.gz JDGWPSSRIRXAGA-UHFFFAOYSA-N 1 2 233.271 1.746 20 0 BDADLO Cc1noc(C2CC2)c1NC(=O)Cc1[nH]cc[nH+]1 ZINC001328349786 972984342 /nfs/dbraw/zinc/98/43/42/972984342.db2.gz LRRULQPWJVQZPV-UHFFFAOYSA-N 1 2 246.270 1.765 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H]2CCCC[C@H]21 ZINC001144971394 973056452 /nfs/dbraw/zinc/05/64/52/973056452.db2.gz SIJBROMUGJDARP-NXEZZACHSA-N 1 2 219.288 1.353 20 0 BDADLO CCOC(=O)[C@H](C)CNc1nc[nH+]c2cc[nH]c21 ZINC001160885587 973102127 /nfs/dbraw/zinc/10/21/27/973102127.db2.gz ZXMQLYBUFAQQHP-MRVPVSSYSA-N 1 2 248.286 1.569 20 0 BDADLO C[C@H](C(=O)N1CC2CC1(C)C2)n1cc[nH+]c1 ZINC001328527112 973121345 /nfs/dbraw/zinc/12/13/45/973121345.db2.gz XZTBWMSBOZRPCU-GRZMOONWSA-N 1 2 219.288 1.455 20 0 BDADLO COCCn1c[nH+]cc1CNC(=O)C1CC=CC1 ZINC001146703692 973200449 /nfs/dbraw/zinc/20/04/49/973200449.db2.gz SJTHCLAUOMNWDL-UHFFFAOYSA-N 1 2 249.314 1.112 20 0 BDADLO C[C@@H](C(=O)N1COCC1(C)C)n1cc[nH+]c1 ZINC001328680247 973263546 /nfs/dbraw/zinc/26/35/46/973263546.db2.gz XDAKRDPFSPGABO-VIFPVBQESA-N 1 2 223.276 1.039 20 0 BDADLO O=C(Cc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001328724887 973312165 /nfs/dbraw/zinc/31/21/65/973312165.db2.gz JMMLQQSJQDWMLC-LBPRGKRZSA-N 1 2 241.294 1.167 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cc[nH]c1 ZINC001146877463 973334375 /nfs/dbraw/zinc/33/43/75/973334375.db2.gz HDVWAMPQPJUUIY-UHFFFAOYSA-N 1 2 227.267 1.573 20 0 BDADLO C[C@@H](C(=O)NCC1CC=CC1)n1cc[nH+]c1 ZINC001329088216 973474250 /nfs/dbraw/zinc/47/42/50/973474250.db2.gz ZEEXWYXVTIGKSG-JTQLQIEISA-N 1 2 219.288 1.527 20 0 BDADLO CCC(F)(F)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329097499 973477240 /nfs/dbraw/zinc/47/72/40/973477240.db2.gz ZXUUXGZYJREABL-MRVPVSSYSA-N 1 2 231.246 1.606 20 0 BDADLO Cc1noc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000235157342 973806631 /nfs/dbraw/zinc/80/66/31/973806631.db2.gz VNVZSJSXRBAOMU-ZETCQYMHSA-N 1 2 207.237 1.075 20 0 BDADLO CCON(C(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001329555540 973826466 /nfs/dbraw/zinc/82/64/66/973826466.db2.gz UTOWBHJTNDIKKS-SNVBAGLBSA-N 1 2 225.292 1.633 20 0 BDADLO C/C=C/[C@@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001148505625 973852114 /nfs/dbraw/zinc/85/21/14/973852114.db2.gz MRQHVGBFNLBFRY-VMZHVLLKSA-N 1 2 231.255 1.210 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H](O)CC)CCCC1 ZINC000128959078 973872561 /nfs/dbraw/zinc/87/25/61/973872561.db2.gz NXGJBSHFRKATHS-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3cnon3)C2)c1 ZINC000585640875 973919894 /nfs/dbraw/zinc/91/98/94/973919894.db2.gz ZSIAOETWHIZASI-NSHDSACASA-N 1 2 233.275 1.022 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cnon3)C2)c1 ZINC000585640875 973919919 /nfs/dbraw/zinc/91/99/19/973919919.db2.gz ZSIAOETWHIZASI-NSHDSACASA-N 1 2 233.275 1.022 20 0 BDADLO C[C@@H](C(=O)NC1(C)CC(F)(F)C1)n1cc[nH+]c1 ZINC001329866777 973982088 /nfs/dbraw/zinc/98/20/88/973982088.db2.gz MCXWRVBEOMDZFG-QMMMGPOBSA-N 1 2 243.257 1.748 20 0 BDADLO C[C@H](C(=O)NC1(C)CC(F)(F)C1)n1cc[nH+]c1 ZINC001329866775 973982626 /nfs/dbraw/zinc/98/26/26/973982626.db2.gz MCXWRVBEOMDZFG-MRVPVSSYSA-N 1 2 243.257 1.748 20 0 BDADLO Cc1nc(NCCNC(=O)CC2CCC2)cc[nH+]1 ZINC001093573655 974029520 /nfs/dbraw/zinc/02/95/20/974029520.db2.gz TUCOYZUQZJLTCD-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN1CCCC(F)(F)C1 ZINC001171734754 974166363 /nfs/dbraw/zinc/16/63/63/974166363.db2.gz KTFUCAXFMJECMQ-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN1CCCC(F)(F)C1 ZINC001171734754 974166375 /nfs/dbraw/zinc/16/63/75/974166375.db2.gz KTFUCAXFMJECMQ-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795461 974185390 /nfs/dbraw/zinc/18/53/90/974185390.db2.gz WTKQPGPOOWQJEL-ONGXEEELSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795461 974185397 /nfs/dbraw/zinc/18/53/97/974185397.db2.gz WTKQPGPOOWQJEL-ONGXEEELSA-N 1 2 248.301 1.113 20 0 BDADLO CN1CC[N@@H+]([C@@H]2Cc3cccc(F)c3C2)CC1=O ZINC001171792746 974188716 /nfs/dbraw/zinc/18/87/16/974188716.db2.gz IXCYIVUUEMUDRO-LLVKDONJSA-N 1 2 248.301 1.067 20 0 BDADLO CN1CC[N@H+]([C@@H]2Cc3cccc(F)c3C2)CC1=O ZINC001171792746 974188724 /nfs/dbraw/zinc/18/87/24/974188724.db2.gz IXCYIVUUEMUDRO-LLVKDONJSA-N 1 2 248.301 1.067 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccncc2)C[C@@H]1F ZINC001204080357 974245330 /nfs/dbraw/zinc/24/53/30/974245330.db2.gz LZLWIKQBPULAGX-QWRGUYRKSA-N 1 2 210.252 1.250 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1F ZINC001204080357 974245340 /nfs/dbraw/zinc/24/53/40/974245340.db2.gz LZLWIKQBPULAGX-QWRGUYRKSA-N 1 2 210.252 1.250 20 0 BDADLO O=C(N[C@H]1CC12CCC2)N1CCn2c[nH+]cc2C1 ZINC001330574407 974328841 /nfs/dbraw/zinc/32/88/41/974328841.db2.gz SNRXZXQBYFNQJL-NSHDSACASA-N 1 2 246.314 1.351 20 0 BDADLO CC1(C)COC(=O)[C@H]1Oc1cc[nH+]cc1 ZINC001225290589 974361456 /nfs/dbraw/zinc/36/14/56/974361456.db2.gz BUDUNNKJOJUNQN-SECBINFHSA-N 1 2 207.229 1.412 20 0 BDADLO O=C1CC[C@@H]2C[C@@H]([NH2+][C@H]3CC3(F)F)CCN12 ZINC001172154368 974413077 /nfs/dbraw/zinc/41/30/77/974413077.db2.gz OHTGBFRJORPROB-YIZRAAEISA-N 1 2 230.258 1.137 20 0 BDADLO Cc1noc(C)c1NC(=O)Cc1[nH]cc[nH+]1 ZINC001330759864 974453875 /nfs/dbraw/zinc/45/38/75/974453875.db2.gz IXEJODFRHLXLLT-UHFFFAOYSA-N 1 2 220.232 1.196 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCCC(=O)C1CC1 ZINC001330765241 974456736 /nfs/dbraw/zinc/45/67/36/974456736.db2.gz AMVUPJIMPSKVKL-UHFFFAOYSA-N 1 2 249.314 1.186 20 0 BDADLO c1nc(C[NH2+][C@H]2CSc3ccccc3C2)no1 ZINC001172195438 974478642 /nfs/dbraw/zinc/47/86/42/974478642.db2.gz ZKXJOJKKGNRMSR-SNVBAGLBSA-N 1 2 247.323 1.876 20 0 BDADLO CCn1nncc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC001330802637 974479564 /nfs/dbraw/zinc/47/95/64/974479564.db2.gz PDYIFIFAMOWNNK-UHFFFAOYSA-N 1 2 247.302 1.453 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(C)C ZINC001172271690 974486920 /nfs/dbraw/zinc/48/69/20/974486920.db2.gz PFDAWXIAPBXXCW-MNOVXSKESA-N 1 2 243.347 1.731 20 0 BDADLO CC1(C)C[C@@H]([NH2+][C@H]2CCSC2=O)CO1 ZINC001172271854 974487526 /nfs/dbraw/zinc/48/75/26/974487526.db2.gz QVBQVSPUNMSTSJ-SFYZADRCSA-N 1 2 215.318 1.176 20 0 BDADLO CC(=O)Oc1ccc(OC2C[NH+](C)C2)cc1 ZINC001225496776 974530563 /nfs/dbraw/zinc/53/05/63/974530563.db2.gz UUGIKELPKDESAQ-UHFFFAOYSA-N 1 2 221.256 1.305 20 0 BDADLO C[C@H](C[NH+](C)C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225563074 974557655 /nfs/dbraw/zinc/55/76/55/974557655.db2.gz QJDCASMLSVPUPS-ZCFIWIBFSA-N 1 2 231.683 1.165 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172361428 974633000 /nfs/dbraw/zinc/63/30/00/974633000.db2.gz WGDOMXYISPHKIX-QCNOEVLYSA-N 1 2 243.347 1.325 20 0 BDADLO C[C@@H]1CC[C@H]([NH+]2CC(F)(CO)C2)C[C@@H]1C ZINC001172365006 974641587 /nfs/dbraw/zinc/64/15/87/974641587.db2.gz HTKVPLFFQWARDV-VWYCJHECSA-N 1 2 215.312 1.827 20 0 BDADLO CC(=O)CCc1ccc(OC2C[NH+](C)C2)cc1 ZINC001225700518 974650557 /nfs/dbraw/zinc/65/05/57/974650557.db2.gz WMNSBLGZTDTYIU-UHFFFAOYSA-N 1 2 233.311 1.901 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001331224391 974651213 /nfs/dbraw/zinc/65/12/13/974651213.db2.gz GYPMORBCEZODBN-GHMZBOCLSA-N 1 2 231.299 1.800 20 0 BDADLO COc1cccnc1OC1C[NH+](C(C)C)C1 ZINC001226140078 974805321 /nfs/dbraw/zinc/80/53/21/974805321.db2.gz ZRIFEHDHPKQDLS-UHFFFAOYSA-N 1 2 222.288 1.562 20 0 BDADLO CC[C@H]1C[C@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001331890458 974852200 /nfs/dbraw/zinc/85/22/00/974852200.db2.gz OQLADSMKCBSRJF-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CC[NH+]1CC(Oc2ncccc2NC(C)=O)C1 ZINC001226313967 974854838 /nfs/dbraw/zinc/85/48/38/974854838.db2.gz YUTSEUFZUHMVOX-UHFFFAOYSA-N 1 2 235.287 1.123 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@@H]2CCOC2)c(C)[nH+]1 ZINC001332055440 974936908 /nfs/dbraw/zinc/93/69/08/974936908.db2.gz YBJYXWOTQLIOKW-LBPRGKRZSA-N 1 2 248.326 1.773 20 0 BDADLO C[NH+]1CC(Oc2ccc3c[nH]nc3c2)C1 ZINC001226588343 974968100 /nfs/dbraw/zinc/96/81/00/974968100.db2.gz UXCIPTHVMWVDDG-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO Cc1cnc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC001332456086 975141202 /nfs/dbraw/zinc/14/12/02/975141202.db2.gz UHBYYTMSJCFZTB-RKDXNWHRSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1cnc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)o1 ZINC001332456086 975141204 /nfs/dbraw/zinc/14/12/04/975141204.db2.gz UHBYYTMSJCFZTB-RKDXNWHRSA-N 1 2 246.270 1.126 20 0 BDADLO CC[C@@](C)(C[NH2+]Cc1c[nH+]c(C)n1C)C(=O)[O-] ZINC001332473338 975149273 /nfs/dbraw/zinc/14/92/73/975149273.db2.gz KMAMRGGJDMEIDP-LBPRGKRZSA-N 1 2 239.319 1.319 20 0 BDADLO CCSC[C@H](C)[NH2+]CC(F)(F)CO ZINC001173295183 975179232 /nfs/dbraw/zinc/17/92/32/975179232.db2.gz LWNZFMFYUJGUJX-ZETCQYMHSA-N 1 2 213.293 1.345 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C=CCC1 ZINC001332865152 975297383 /nfs/dbraw/zinc/29/73/83/975297383.db2.gz CTATZEUIJHKCKN-AAEUAGOBSA-N 1 2 233.315 1.744 20 0 BDADLO CC[N@@H+]1CC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271148 975348243 /nfs/dbraw/zinc/34/82/43/975348243.db2.gz QWEDKVLUHSYIIW-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO CC[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271148 975348250 /nfs/dbraw/zinc/34/82/50/975348250.db2.gz QWEDKVLUHSYIIW-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO Cc1cc(OC2C[NH+](C(C)(C)C)C2)no1 ZINC001227278134 975352905 /nfs/dbraw/zinc/35/29/05/975352905.db2.gz PSKJNGKNKRVMCR-UHFFFAOYSA-N 1 2 210.277 1.845 20 0 BDADLO CC1(O)C[NH+](Cc2cccn2C2CC2)C1 ZINC001332999291 975360805 /nfs/dbraw/zinc/36/08/05/975360805.db2.gz HVZXOVDGIOAVKK-UHFFFAOYSA-N 1 2 206.289 1.390 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)Cc1cncs1 ZINC001333142309 975486915 /nfs/dbraw/zinc/48/69/15/975486915.db2.gz LBXKGXHQNGFAGO-OAHLLOKOSA-N 1 2 241.341 1.326 20 0 BDADLO CCOC(=O)C[C@H]1CC[C@H]([N@@H+]2CCC(=O)C2)C1 ZINC001173645789 975510086 /nfs/dbraw/zinc/51/00/86/975510086.db2.gz AJPFVJYINMWEIA-QWRGUYRKSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(=O)C[C@H]1CC[C@H]([N@H+]2CCC(=O)C2)C1 ZINC001173645789 975510099 /nfs/dbraw/zinc/51/00/99/975510099.db2.gz AJPFVJYINMWEIA-QWRGUYRKSA-N 1 2 239.315 1.383 20 0 BDADLO CC1(F)C[NH+]([C@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173748586 975542511 /nfs/dbraw/zinc/54/25/11/975542511.db2.gz PRLHOFRPWBWMDQ-UWVGGRQHSA-N 1 2 239.298 1.201 20 0 BDADLO C[C@@H]([NH2+]Cc1noc2c1COCC2)c1cn[nH]c1 ZINC001333326966 975666182 /nfs/dbraw/zinc/66/61/82/975666182.db2.gz JKNMARXUGDFPPE-MRVPVSSYSA-N 1 2 248.286 1.321 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2nccc3cc[nH]c32)C1 ZINC001227898495 975779039 /nfs/dbraw/zinc/77/90/39/975779039.db2.gz NQTYDCTVWPBOAR-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2nccc3cc[nH]c32)C1 ZINC001227898495 975779049 /nfs/dbraw/zinc/77/90/49/975779049.db2.gz NQTYDCTVWPBOAR-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO O=C(C[C@@H]1CC=CCC1)N1CCn2c[nH+]cc2C1 ZINC001333471313 975801659 /nfs/dbraw/zinc/80/16/59/975801659.db2.gz KOPJYTDBZVIWKY-GFCCVEGCSA-N 1 2 245.326 1.972 20 0 BDADLO FCCn1cc(C[NH2+][C@@H]2CCn3ccnc32)cn1 ZINC001333504054 975819390 /nfs/dbraw/zinc/81/93/90/975819390.db2.gz HDTQJWWGMODBEP-LLVKDONJSA-N 1 2 249.293 1.284 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc(CO)on1 ZINC001333597253 975878995 /nfs/dbraw/zinc/87/89/95/975878995.db2.gz NRTRNZOPRRPHAD-IUCAKERBSA-N 1 2 235.287 1.907 20 0 BDADLO CCc1cc(NCCc2cn[nH]c2)nc(CC)[nH+]1 ZINC001333716953 976028328 /nfs/dbraw/zinc/02/83/28/976028328.db2.gz HZVOBTRFAGVFDY-UHFFFAOYSA-N 1 2 245.330 1.979 20 0 BDADLO COc1nonc1Nc1ccccc1C[NH+](C)C ZINC001173928771 976037361 /nfs/dbraw/zinc/03/73/61/976037361.db2.gz DMHNMUKEACVXND-UHFFFAOYSA-N 1 2 248.286 1.883 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001333813548 976101490 /nfs/dbraw/zinc/10/14/90/976101490.db2.gz CCMKYPJHULGEEQ-VWYCJHECSA-N 1 2 221.304 1.749 20 0 BDADLO Cc1[nH]c2ccc(OC[C@H]3COCO3)cc2[nH+]1 ZINC001228326336 976119790 /nfs/dbraw/zinc/11/97/90/976119790.db2.gz HBQAAZHUNUDNCD-SNVBAGLBSA-N 1 2 234.255 1.623 20 0 BDADLO C[C@H](C(=O)NCC[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC001333859259 976127077 /nfs/dbraw/zinc/12/70/77/976127077.db2.gz MXNYGEGSDVYBOI-RTXFEEFZSA-N 1 2 247.342 1.997 20 0 BDADLO COc1ncc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001174034570 976237178 /nfs/dbraw/zinc/23/71/78/976237178.db2.gz BFMOXBBVAZCOAM-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Cc1cnc(F)c(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001228587853 976356892 /nfs/dbraw/zinc/35/68/92/976356892.db2.gz VMQMDTDFYQVWOB-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO Cc1cnc(F)c(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001228587853 976356901 /nfs/dbraw/zinc/35/69/01/976356901.db2.gz VMQMDTDFYQVWOB-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO C[N@@H+]1CC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228666389 976427811 /nfs/dbraw/zinc/42/78/11/976427811.db2.gz XYDLVIHJVZIRQR-SECBINFHSA-N 1 2 218.260 1.041 20 0 BDADLO C[N@H+]1CC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228666389 976427817 /nfs/dbraw/zinc/42/78/17/976427817.db2.gz XYDLVIHJVZIRQR-SECBINFHSA-N 1 2 218.260 1.041 20 0 BDADLO CC[NH+]1CC(Oc2cnc(OC)cc2C)C1 ZINC001228680060 976435122 /nfs/dbraw/zinc/43/51/22/976435122.db2.gz WRGGXFJIXXZFDP-UHFFFAOYSA-N 1 2 222.288 1.482 20 0 BDADLO COc1ccc(C)c(OC2C[NH+](C)C2)c1 ZINC001228729024 976459925 /nfs/dbraw/zinc/45/99/25/976459925.db2.gz XUCDVELPMXWORI-UHFFFAOYSA-N 1 2 207.273 1.696 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC001334355717 976465773 /nfs/dbraw/zinc/46/57/73/976465773.db2.gz PIPZSKDEVIVVFC-YUMQZZPRSA-N 1 2 249.318 1.832 20 0 BDADLO CC(C)[S@@](C)(=O)=NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001334388381 976485187 /nfs/dbraw/zinc/48/51/87/976485187.db2.gz BYCXMMCVKJEOQS-JDNHERCYSA-N 1 2 243.332 1.477 20 0 BDADLO Cc1cc[nH+]c(Nc2ccc(=O)n(C)c2)c1 ZINC001174354526 976515309 /nfs/dbraw/zinc/51/53/09/976515309.db2.gz YWEKXGURRHNYBW-UHFFFAOYSA-N 1 2 215.256 1.832 20 0 BDADLO CN(C)c1ccc(Nc2cnn(C)c2)c[nH+]1 ZINC001174328503 976524944 /nfs/dbraw/zinc/52/49/44/976524944.db2.gz WAPZULWZGIQMET-UHFFFAOYSA-N 1 2 217.276 1.625 20 0 BDADLO c1cn2c(cccc2Nc2cncnc2)[nH+]1 ZINC001174385313 976624313 /nfs/dbraw/zinc/62/43/13/976624313.db2.gz NYLMPTCMLLFJTG-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO Cn1ccc2cc(OC3C[NH+](C)C3)ccc21 ZINC001229115632 976747473 /nfs/dbraw/zinc/74/74/73/976747473.db2.gz SCOLWFKKHZPQAJ-UHFFFAOYSA-N 1 2 216.284 1.871 20 0 BDADLO CNC(=O)CN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001334886676 976770813 /nfs/dbraw/zinc/77/08/13/976770813.db2.gz DDWOEXMKMNONDY-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO CC[NH+]1CC(Oc2ccccc2C(=O)NC)C1 ZINC001229315686 976821731 /nfs/dbraw/zinc/82/17/31/976821731.db2.gz GQIXXISAXOOHDZ-UHFFFAOYSA-N 1 2 234.299 1.129 20 0 BDADLO C[C@@H](CON)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954558 977036949 /nfs/dbraw/zinc/03/69/49/977036949.db2.gz QZWFQPAPZVYCEI-JTQLQIEISA-N 1 2 233.271 1.530 20 0 BDADLO CCc1cc(N2CC[C@H]([C@H](C)O)C2)nc(CC)[nH+]1 ZINC001335478957 977085647 /nfs/dbraw/zinc/08/56/47/977085647.db2.gz NEFHEEVUIVACRH-QWRGUYRKSA-N 1 2 249.358 1.809 20 0 BDADLO C[NH+]1CC(Oc2ccc3ncccc3n2)C1 ZINC001230717796 977312210 /nfs/dbraw/zinc/31/22/10/977312210.db2.gz SDFIBMBRNRJEML-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO CC(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230797695 977339148 /nfs/dbraw/zinc/33/91/48/977339148.db2.gz HXESCLRGWPWSLC-SNVBAGLBSA-N 1 2 216.300 1.145 20 0 BDADLO CC(C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230797695 977339158 /nfs/dbraw/zinc/33/91/58/977339158.db2.gz HXESCLRGWPWSLC-SNVBAGLBSA-N 1 2 216.300 1.145 20 0 BDADLO CCc1ccc(OC[C@H]2C[N@H+](C)CCO2)nc1 ZINC001230852403 977350319 /nfs/dbraw/zinc/35/03/19/977350319.db2.gz YSSCUNJWZFANEU-GFCCVEGCSA-N 1 2 236.315 1.353 20 0 BDADLO CCc1ccc(OC[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001230852403 977350327 /nfs/dbraw/zinc/35/03/27/977350327.db2.gz YSSCUNJWZFANEU-GFCCVEGCSA-N 1 2 236.315 1.353 20 0 BDADLO O=C1OCC[C@@H]1Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920472 977384053 /nfs/dbraw/zinc/38/40/53/977384053.db2.gz NPCVWGIFZWOUBJ-NSHDSACASA-N 1 2 247.250 1.062 20 0 BDADLO COc1cnc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001175338887 977386248 /nfs/dbraw/zinc/38/62/48/977386248.db2.gz PXMYSTUORVWTFG-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO COc1ccc(Nc2ccc(N(C)C)[nH+]c2)nn1 ZINC001175338204 977387091 /nfs/dbraw/zinc/38/70/91/977387091.db2.gz QITXDQUCJDHFFZ-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO CN(C)c1ccc(Nc2cncc(O)c2)c[nH+]1 ZINC001175338244 977387966 /nfs/dbraw/zinc/38/79/66/977387966.db2.gz AIOQYXUWYXIOFU-UHFFFAOYSA-N 1 2 230.271 1.992 20 0 BDADLO CC/C=C(\C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001231005401 977420357 /nfs/dbraw/zinc/42/03/57/977420357.db2.gz PRYNNLBZHSRFHM-JXDHDYMSSA-N 1 2 242.338 1.845 20 0 BDADLO CC/C=C(\C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001231005401 977420363 /nfs/dbraw/zinc/42/03/63/977420363.db2.gz PRYNNLBZHSRFHM-JXDHDYMSSA-N 1 2 242.338 1.845 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC001336051364 977462442 /nfs/dbraw/zinc/46/24/42/977462442.db2.gz PCFRXZIHNGIBQF-BDAKNGLRSA-N 1 2 205.261 1.541 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC001336051364 977462461 /nfs/dbraw/zinc/46/24/61/977462461.db2.gz PCFRXZIHNGIBQF-BDAKNGLRSA-N 1 2 205.261 1.541 20 0 BDADLO O=C1OCC[C@@H]1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080232 977467765 /nfs/dbraw/zinc/46/77/65/977467765.db2.gz AKYKPIXYBUERRD-NSHDSACASA-N 1 2 244.250 1.771 20 0 BDADLO C[C@@H](CON)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083706 977470838 /nfs/dbraw/zinc/47/08/38/977470838.db2.gz NOUAMXOTAKHZCZ-JTQLQIEISA-N 1 2 247.298 1.745 20 0 BDADLO CCCC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001231204841 977535595 /nfs/dbraw/zinc/53/55/95/977535595.db2.gz XZNQCCDHKVDZSZ-UHFFFAOYSA-N 1 2 239.319 1.413 20 0 BDADLO CCCC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001231204841 977535608 /nfs/dbraw/zinc/53/56/08/977535608.db2.gz XZNQCCDHKVDZSZ-UHFFFAOYSA-N 1 2 239.319 1.413 20 0 BDADLO CCn1ncc(NC(=O)[C@@H]2CC[N@@H+]2CC)c1C ZINC001594195557 977547437 /nfs/dbraw/zinc/54/74/37/977547437.db2.gz NTSQLQZWZUJLEV-NSHDSACASA-N 1 2 236.319 1.244 20 0 BDADLO CCn1ncc(NC(=O)[C@@H]2CC[N@H+]2CC)c1C ZINC001594195557 977547444 /nfs/dbraw/zinc/54/74/44/977547444.db2.gz NTSQLQZWZUJLEV-NSHDSACASA-N 1 2 236.319 1.244 20 0 BDADLO CCCOC(=O)c1ccccc1OC1C[NH+](C)C1 ZINC001231336905 977569286 /nfs/dbraw/zinc/56/92/86/977569286.db2.gz DWDKRCASVOKIKK-UHFFFAOYSA-N 1 2 249.310 1.946 20 0 BDADLO C[N@@H+]1CCC=C(Nc2c(N)ncnc2Cl)C1 ZINC001175574220 977572595 /nfs/dbraw/zinc/57/25/95/977572595.db2.gz QTIVGVCAMYDALR-UHFFFAOYSA-N 1 2 239.710 1.344 20 0 BDADLO C[N@H+]1CCC=C(Nc2c(N)ncnc2Cl)C1 ZINC001175574220 977572598 /nfs/dbraw/zinc/57/25/98/977572598.db2.gz QTIVGVCAMYDALR-UHFFFAOYSA-N 1 2 239.710 1.344 20 0 BDADLO C[N@@H+]1CCC=C(Nc2ccnnc2Cl)C1 ZINC001175575253 977573877 /nfs/dbraw/zinc/57/38/77/977573877.db2.gz QGZDAMCUAGPDSQ-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCC=C(Nc2ccnnc2Cl)C1 ZINC001175575253 977573882 /nfs/dbraw/zinc/57/38/82/977573882.db2.gz QGZDAMCUAGPDSQ-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c2cccnc12 ZINC001231490933 977614972 /nfs/dbraw/zinc/61/49/72/977614972.db2.gz ZMWGLFMCWSQXTN-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c2cccnc12 ZINC001231490933 977614974 /nfs/dbraw/zinc/61/49/74/977614974.db2.gz ZMWGLFMCWSQXTN-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO OCC1C[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC001231582451 977632676 /nfs/dbraw/zinc/63/26/76/977632676.db2.gz NSCABXFNPZXBLV-UHFFFAOYSA-N 1 2 238.356 1.446 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1C(C)(C)C ZINC001336349522 977640808 /nfs/dbraw/zinc/64/08/08/977640808.db2.gz MBKWFRYHJVVRGO-LLVKDONJSA-N 1 2 235.331 1.908 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(N)nc1C ZINC001175666373 977645933 /nfs/dbraw/zinc/64/59/33/977645933.db2.gz UDOKIHCYHIECGS-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO c1cc2cc(C[N@H+](C3CC3)C3COC3)ncc2[nH]1 ZINC001231670225 977681869 /nfs/dbraw/zinc/68/18/69/977681869.db2.gz WTLOECKPHBPSLA-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1cc2cc(C[N@@H+](C3CC3)C3COC3)ncc2[nH]1 ZINC001231670225 977681886 /nfs/dbraw/zinc/68/18/86/977681886.db2.gz WTLOECKPHBPSLA-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231742404 977730916 /nfs/dbraw/zinc/73/09/16/977730916.db2.gz PLWNKGIONIIVMX-WDEREUQCSA-N 1 2 238.262 1.202 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231742404 977730936 /nfs/dbraw/zinc/73/09/36/977730936.db2.gz PLWNKGIONIIVMX-WDEREUQCSA-N 1 2 238.262 1.202 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](CO)OC[C@@H]2C)[nH+]1 ZINC001336548470 977769318 /nfs/dbraw/zinc/76/93/18/977769318.db2.gz LLULWXMJGGCMGL-GXSJLCMTSA-N 1 2 240.278 1.115 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3nncc3C2)cnc1F ZINC001231926526 977797609 /nfs/dbraw/zinc/79/76/09/977797609.db2.gz YUXYYTCVTKIOHZ-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(C[N@H+]2CCn3nncc3C2)cnc1F ZINC001231926526 977797625 /nfs/dbraw/zinc/79/76/25/977797625.db2.gz YUXYYTCVTKIOHZ-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO COc1cc[nH+]c(CN2CCC(=O)[C@@H](F)C2)c1 ZINC001231968129 977814658 /nfs/dbraw/zinc/81/46/58/977814658.db2.gz JMFVIXWUOCVMSW-NSHDSACASA-N 1 2 238.262 1.203 20 0 BDADLO O=c1ccc(C[N@H+]2CCC[C@@H]2CF)n[nH]1 ZINC001232027211 977858843 /nfs/dbraw/zinc/85/88/43/977858843.db2.gz DENPQSRQTRDMIG-SECBINFHSA-N 1 2 211.240 1.116 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC[C@@H]2CF)n[nH]1 ZINC001232027211 977858850 /nfs/dbraw/zinc/85/88/50/977858850.db2.gz DENPQSRQTRDMIG-SECBINFHSA-N 1 2 211.240 1.116 20 0 BDADLO Nc1cc(N2CCC(c3ccon3)CC2)[nH+]cn1 ZINC001336695455 977862032 /nfs/dbraw/zinc/86/20/32/977862032.db2.gz MVLUSFIBNOGUFR-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO Nc1cn(-c2[nH]cc[nH+]2)c2nccc(Cl)c12 ZINC001176081875 977875725 /nfs/dbraw/zinc/87/57/25/977875725.db2.gz IDDOVPNPLQFCLZ-UHFFFAOYSA-N 1 2 233.662 1.984 20 0 BDADLO c1c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)[nH]c2cccnc12 ZINC001232066866 977878335 /nfs/dbraw/zinc/87/83/35/977878335.db2.gz LHCLHVQUHWAEHW-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO c1c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)[nH]c2cccnc12 ZINC001232066866 977878337 /nfs/dbraw/zinc/87/83/37/977878337.db2.gz LHCLHVQUHWAEHW-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)c2ccccn2)o1 ZINC001336728411 977887902 /nfs/dbraw/zinc/88/79/02/977887902.db2.gz RAOYNALQRZSAAC-KCJUWKMLSA-N 1 2 248.286 1.157 20 0 BDADLO Cc1cc(NC2C(=O)N=CNC2=O)cc(C)[nH+]1 ZINC001176053598 977899479 /nfs/dbraw/zinc/89/94/79/977899479.db2.gz FBXXLMWOYVUTHI-UHFFFAOYSA-N 1 2 232.243 1.065 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccno2)c(C2CC2)n1 ZINC001232171598 977900894 /nfs/dbraw/zinc/90/08/94/977900894.db2.gz GXPFIBQGKXIXJN-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccno2)c(C2CC2)n1 ZINC001232171598 977900901 /nfs/dbraw/zinc/90/09/01/977900901.db2.gz GXPFIBQGKXIXJN-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO Cc1scnc1C[N@H+]1CCc2nncn2CC1 ZINC001232210639 977938682 /nfs/dbraw/zinc/93/86/82/977938682.db2.gz RDONMDGOBZYSEZ-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO Cc1scnc1C[N@@H+]1CCc2nncn2CC1 ZINC001232210639 977938698 /nfs/dbraw/zinc/93/86/98/977938698.db2.gz RDONMDGOBZYSEZ-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO COc1cc[nH+]cc1Nc1ccnn1C ZINC001176117125 977943426 /nfs/dbraw/zinc/94/34/26/977943426.db2.gz SHRXMCRWXSCRIQ-UHFFFAOYSA-N 1 2 204.233 1.567 20 0 BDADLO COc1cc[nH+]cc1Nc1ccsc1C(N)=O ZINC001176116829 977947197 /nfs/dbraw/zinc/94/71/97/977947197.db2.gz LZLAFRSRKPEGAA-UHFFFAOYSA-N 1 2 249.295 1.994 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc2ccnn2c1 ZINC001176118523 977947345 /nfs/dbraw/zinc/94/73/45/977947345.db2.gz MYWIVRXQLSHTEI-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO COc1cc[nH+]cc1Nc1ncccc1CO ZINC001176119036 977954120 /nfs/dbraw/zinc/95/41/20/977954120.db2.gz SSRQVHZGJPMCQW-UHFFFAOYSA-N 1 2 231.255 1.721 20 0 BDADLO COc1cc[nH+]cc1Nc1cc(N)c(O)cc1O ZINC001176124652 977955519 /nfs/dbraw/zinc/95/55/19/977955519.db2.gz TULQXYGKGFXEAR-UHFFFAOYSA-N 1 2 247.254 1.827 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)n1C ZINC001336785440 977958710 /nfs/dbraw/zinc/95/87/10/977958710.db2.gz ZXXWCCJCIXQKNV-UHFFFAOYSA-N 1 2 246.314 1.306 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)n1C ZINC001336785440 977958721 /nfs/dbraw/zinc/95/87/21/977958721.db2.gz ZXXWCCJCIXQKNV-UHFFFAOYSA-N 1 2 246.314 1.306 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@]3(CCCO3)C2)s1 ZINC001232243808 977970344 /nfs/dbraw/zinc/97/03/44/977970344.db2.gz YIHZDFZFZQOVNA-NSHDSACASA-N 1 2 239.344 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@]3(CCCO3)C2)s1 ZINC001232243808 977970354 /nfs/dbraw/zinc/97/03/54/977970354.db2.gz YIHZDFZFZQOVNA-NSHDSACASA-N 1 2 239.344 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)s1 ZINC001232247158 977973546 /nfs/dbraw/zinc/97/35/46/977973546.db2.gz RAPFBRXNULKXON-SZEHBUNVSA-N 1 2 239.344 1.313 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)s1 ZINC001232247158 977973551 /nfs/dbraw/zinc/97/35/51/977973551.db2.gz RAPFBRXNULKXON-SZEHBUNVSA-N 1 2 239.344 1.313 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC001232331038 978010250 /nfs/dbraw/zinc/01/02/50/978010250.db2.gz JJAHZUAETNUUGO-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC001232331038 978010255 /nfs/dbraw/zinc/01/02/55/978010255.db2.gz JJAHZUAETNUUGO-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)c(C)n1 ZINC001232338742 978012344 /nfs/dbraw/zinc/01/23/44/978012344.db2.gz XPEFZKRYKIQPED-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@H]2C(C)=O)c(C)n1 ZINC001232338742 978012350 /nfs/dbraw/zinc/01/23/50/978012350.db2.gz XPEFZKRYKIQPED-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCn2cncc2C1 ZINC001232341152 978022427 /nfs/dbraw/zinc/02/24/27/978022427.db2.gz MPEVQEIPRLKXKT-UHFFFAOYSA-N 1 2 243.314 1.185 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCn2cncc2C1 ZINC001232341152 978022434 /nfs/dbraw/zinc/02/24/34/978022434.db2.gz MPEVQEIPRLKXKT-UHFFFAOYSA-N 1 2 243.314 1.185 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(N)nc2C)C[C@@H]1F ZINC001232340439 978022623 /nfs/dbraw/zinc/02/26/23/978022623.db2.gz RQUPJGAGYZZOQW-QWRGUYRKSA-N 1 2 239.294 1.141 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(N)nc2C)C[C@@H]1F ZINC001232340439 978022631 /nfs/dbraw/zinc/02/26/31/978022631.db2.gz RQUPJGAGYZZOQW-QWRGUYRKSA-N 1 2 239.294 1.141 20 0 BDADLO C[C@@H]1C[N@H+](Cc2[nH]nc3c2CCC3)CCCC1=O ZINC001232427771 978066288 /nfs/dbraw/zinc/06/62/88/978066288.db2.gz FZWDYWCHIWOTTF-SNVBAGLBSA-N 1 2 247.342 1.699 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)CCCC1=O ZINC001232427771 978066292 /nfs/dbraw/zinc/06/62/92/978066292.db2.gz FZWDYWCHIWOTTF-SNVBAGLBSA-N 1 2 247.342 1.699 20 0 BDADLO C(c1n[nH]c2c1CCC2)N1CC[NH+](C2CC2)CC1 ZINC001232427792 978067836 /nfs/dbraw/zinc/06/78/36/978067836.db2.gz GQYHKMXWXATEAR-UHFFFAOYSA-N 1 2 246.358 1.178 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccncn2)c[nH+]1 ZINC001232467935 978117991 /nfs/dbraw/zinc/11/79/91/978117991.db2.gz ITLVDWPCTCARHD-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2ccncn2)[nH+]1 ZINC001232467935 978117996 /nfs/dbraw/zinc/11/79/96/978117996.db2.gz ITLVDWPCTCARHD-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Fc1ccnc(C[NH+]2CCSCC2)c1 ZINC001232492272 978142552 /nfs/dbraw/zinc/14/25/52/978142552.db2.gz AWFWXFLRWSGXHC-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO COc1cncc(OC)c1C[N@@H+]1CC[C@@H]1C ZINC001232501724 978152224 /nfs/dbraw/zinc/15/22/24/978152224.db2.gz FTIYYGQNCKKVOR-VIFPVBQESA-N 1 2 222.288 1.693 20 0 BDADLO COc1cncc(OC)c1C[N@H+]1CC[C@@H]1C ZINC001232501724 978152233 /nfs/dbraw/zinc/15/22/33/978152233.db2.gz FTIYYGQNCKKVOR-VIFPVBQESA-N 1 2 222.288 1.693 20 0 BDADLO CO[C@]1(C)CCCN(c2cc(N)nc[nH+]2)CC1 ZINC001337145973 978185326 /nfs/dbraw/zinc/18/53/26/978185326.db2.gz QNZXHVMPEAFDLQ-GFCCVEGCSA-N 1 2 236.319 1.454 20 0 BDADLO COc1cncc(NC(=O)Cc2c[nH]c[nH+]2)c1C ZINC001176828109 978193553 /nfs/dbraw/zinc/19/35/53/978193553.db2.gz YNRYDCHMKATROD-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc2c1COC2 ZINC001176833303 978197109 /nfs/dbraw/zinc/19/71/09/978197109.db2.gz HRVZKMDGWRQJBI-UHFFFAOYSA-N 1 2 243.266 1.621 20 0 BDADLO COc1c(O)cccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176833491 978197137 /nfs/dbraw/zinc/19/71/37/978197137.db2.gz MRIZNYQYYGXSQX-UHFFFAOYSA-N 1 2 247.254 1.305 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cncc2cnccc21 ZINC001232650510 978208818 /nfs/dbraw/zinc/20/88/18/978208818.db2.gz WZZLTVCBSYQOHD-UHFFFAOYSA-N 1 2 229.283 1.651 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cncc2cnccc21 ZINC001232650510 978208825 /nfs/dbraw/zinc/20/88/25/978208825.db2.gz WZZLTVCBSYQOHD-UHFFFAOYSA-N 1 2 229.283 1.651 20 0 BDADLO C[Si](C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC001176883937 978225289 /nfs/dbraw/zinc/22/52/89/978225289.db2.gz RPSNOXQLYBWNCV-UHFFFAOYSA-N 1 2 225.368 1.267 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc(F)c(O)c1 ZINC001176878230 978228482 /nfs/dbraw/zinc/22/84/82/978228482.db2.gz GEEQANJVYIRBSI-UHFFFAOYSA-N 1 2 249.245 1.757 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)[nH]n1 ZINC001337282249 978262005 /nfs/dbraw/zinc/26/20/05/978262005.db2.gz SOYFCEUNWDHZBI-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO Cc1c[nH]c(=O)c(CNc2cc[nH+]c(C)n2)c1 ZINC001337293314 978270644 /nfs/dbraw/zinc/27/06/44/978270644.db2.gz WFJZAIQELLPCHE-UHFFFAOYSA-N 1 2 230.271 1.806 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1ccc(CCO)cc1 ZINC001232779263 978272615 /nfs/dbraw/zinc/27/26/15/978272615.db2.gz JJEGGWXZOAQPOE-UHFFFAOYSA-N 1 2 246.310 1.841 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1ccc(CCO)cc1 ZINC001232779263 978272624 /nfs/dbraw/zinc/27/26/24/978272624.db2.gz JJEGGWXZOAQPOE-UHFFFAOYSA-N 1 2 246.310 1.841 20 0 BDADLO Cc1nnc2n1CC[N@@H+](C/C=C\Cl)[C@H]2C ZINC001177043803 978275407 /nfs/dbraw/zinc/27/54/07/978275407.db2.gz DQTBUQBRVMGQMF-VEMNSZJBSA-N 1 2 226.711 1.716 20 0 BDADLO Cc1nnc2n1CC[N@H+](C/C=C\Cl)[C@H]2C ZINC001177043803 978275412 /nfs/dbraw/zinc/27/54/12/978275412.db2.gz DQTBUQBRVMGQMF-VEMNSZJBSA-N 1 2 226.711 1.716 20 0 BDADLO CC1(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001337310416 978275646 /nfs/dbraw/zinc/27/56/46/978275646.db2.gz YCGMWPFACPYBSN-UHFFFAOYSA-N 1 2 215.256 1.617 20 0 BDADLO C[C@H](C(=O)N(C)CC1CCC1)n1cc[nH+]c1 ZINC001337313615 978278987 /nfs/dbraw/zinc/27/89/87/978278987.db2.gz VAUFDGGFNMLVFO-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO CCCn1cnc(C[N@@H+]2CC[C@H]2COC)c1 ZINC001232800266 978288381 /nfs/dbraw/zinc/28/83/81/978288381.db2.gz BQAJRUJQEGKNAI-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1cnc(C[N@H+]2CC[C@H]2COC)c1 ZINC001232800266 978288391 /nfs/dbraw/zinc/28/83/91/978288391.db2.gz BQAJRUJQEGKNAI-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO COc1cc(O)cc(C[N@@H+]2CCC[C@H]2C(C)=O)c1 ZINC001232810164 978301050 /nfs/dbraw/zinc/30/10/50/978301050.db2.gz RIGYNUNRJAZPAC-AWEZNQCLSA-N 1 2 249.310 1.954 20 0 BDADLO COc1cc(O)cc(C[N@H+]2CCC[C@H]2C(C)=O)c1 ZINC001232810164 978301058 /nfs/dbraw/zinc/30/10/58/978301058.db2.gz RIGYNUNRJAZPAC-AWEZNQCLSA-N 1 2 249.310 1.954 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccns2)c[nH+]1 ZINC001597256991 978302217 /nfs/dbraw/zinc/30/22/17/978302217.db2.gz DSEGDDUDNKREFL-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccns2)[nH+]1 ZINC001597256991 978302222 /nfs/dbraw/zinc/30/22/22/978302222.db2.gz DSEGDDUDNKREFL-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cncs2)c[nH+]1 ZINC001597251569 978302283 /nfs/dbraw/zinc/30/22/83/978302283.db2.gz XQQOHKBKUURORR-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cncs2)[nH+]1 ZINC001597251569 978302295 /nfs/dbraw/zinc/30/22/95/978302295.db2.gz XQQOHKBKUURORR-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cc(C)cc(O)c2)CC1 ZINC001232878815 978315953 /nfs/dbraw/zinc/31/59/53/978315953.db2.gz UVVCXORRPCAZEV-UHFFFAOYSA-N 1 2 248.326 1.365 20 0 BDADLO Oc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)c2c1 ZINC001232870193 978316395 /nfs/dbraw/zinc/31/63/95/978316395.db2.gz FNVZSISNUYGQEX-TXEJJXNPSA-N 1 2 244.294 1.847 20 0 BDADLO Oc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)c2c1 ZINC001232870193 978316402 /nfs/dbraw/zinc/31/64/02/978316402.db2.gz FNVZSISNUYGQEX-TXEJJXNPSA-N 1 2 244.294 1.847 20 0 BDADLO Cc1cc(O)cc(CN2CCn3c[nH+]cc3C2)c1 ZINC001232886289 978325715 /nfs/dbraw/zinc/32/57/15/978325715.db2.gz QTJVNVVUDJQCDH-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO C[C@H](C(=O)NCc1[nH]c2c([nH+]1)CCCC2)C1CC1 ZINC001597585620 978343673 /nfs/dbraw/zinc/34/36/73/978343673.db2.gz XELUVGZYEBJGEC-VIFPVBQESA-N 1 2 247.342 1.951 20 0 BDADLO CCCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001597586678 978344671 /nfs/dbraw/zinc/34/46/71/978344671.db2.gz MAINKNNKNCGZOQ-UHFFFAOYSA-N 1 2 221.304 1.662 20 0 BDADLO C[N@H+](Cc1cc(O)c(F)c(F)c1)[C@@H]1CCOC1 ZINC001232972909 978377806 /nfs/dbraw/zinc/37/78/06/978377806.db2.gz FXKMJINFHDSUNF-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1cc(O)c(F)c(F)c1)[C@@H]1CCOC1 ZINC001232972909 978377815 /nfs/dbraw/zinc/37/78/15/978377815.db2.gz FXKMJINFHDSUNF-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cn1 ZINC001233008271 978398918 /nfs/dbraw/zinc/39/89/18/978398918.db2.gz PHNGKBDPQSIFAA-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cn1 ZINC001233008271 978398928 /nfs/dbraw/zinc/39/89/28/978398928.db2.gz PHNGKBDPQSIFAA-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO CCCN(CCOC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921688 978474173 /nfs/dbraw/zinc/47/41/73/978474173.db2.gz JJLUFUQCPJHIGB-LLVKDONJSA-N 1 2 239.319 1.329 20 0 BDADLO Cc1ncnc(C)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921384 978475198 /nfs/dbraw/zinc/47/51/98/978475198.db2.gz BKHXPSBUJUSRJN-SNVBAGLBSA-N 1 2 245.286 1.490 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc[nH]c1=S ZINC001177994209 978495589 /nfs/dbraw/zinc/49/55/89/978495589.db2.gz SOZBXRHQPGHIRO-UHFFFAOYSA-N 1 2 248.311 1.665 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)cc1O ZINC001233229862 978497500 /nfs/dbraw/zinc/49/75/00/978497500.db2.gz SULPYFDPDJJKOM-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1O ZINC001233229862 978497503 /nfs/dbraw/zinc/49/75/03/978497503.db2.gz SULPYFDPDJJKOM-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO C[N@H+](Cc1cnn2ccccc12)C1(C)COC1 ZINC001233239067 978510067 /nfs/dbraw/zinc/51/00/67/978510067.db2.gz BJECWKYGNODRLU-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1cnn2ccccc12)C1(C)COC1 ZINC001233239067 978510072 /nfs/dbraw/zinc/51/00/72/978510072.db2.gz BJECWKYGNODRLU-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO c1cc2c(c(C[N@@H+]3CCC34COC4)c1)CCO2 ZINC001233276242 978526793 /nfs/dbraw/zinc/52/67/93/978526793.db2.gz FMLGDOIEQQJOHY-UHFFFAOYSA-N 1 2 231.295 1.596 20 0 BDADLO c1cc2c(c(C[N@H+]3CCC34COC4)c1)CCO2 ZINC001233276242 978526800 /nfs/dbraw/zinc/52/68/00/978526800.db2.gz FMLGDOIEQQJOHY-UHFFFAOYSA-N 1 2 231.295 1.596 20 0 BDADLO Cc1cnsc1C[N@H+]1CCCN(C)C(=O)C1 ZINC001233320609 978554554 /nfs/dbraw/zinc/55/45/54/978554554.db2.gz GUXUGZBMWSQVFT-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC001233320609 978554561 /nfs/dbraw/zinc/55/45/61/978554561.db2.gz GUXUGZBMWSQVFT-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC001233320907 978557761 /nfs/dbraw/zinc/55/77/61/978557761.db2.gz RXTSEGIJFWJYKW-VIFPVBQESA-N 1 2 239.344 1.291 20 0 BDADLO Cc1cnsc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC001233320907 978557769 /nfs/dbraw/zinc/55/77/69/978557769.db2.gz RXTSEGIJFWJYKW-VIFPVBQESA-N 1 2 239.344 1.291 20 0 BDADLO c1cn2c(cccc2CN2CCCCO2)[nH+]1 ZINC001233360768 978571131 /nfs/dbraw/zinc/57/11/31/978571131.db2.gz CZVGTNQSQFYYJK-UHFFFAOYSA-N 1 2 217.272 1.862 20 0 BDADLO C[C@H]1CN(Cc2cccc3[nH+]ccn32)CCC1=O ZINC001233361043 978572407 /nfs/dbraw/zinc/57/24/07/978572407.db2.gz WGYYTKYEXDTEKT-NSHDSACASA-N 1 2 243.310 1.745 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCCC23COC3)o1 ZINC001233367211 978578898 /nfs/dbraw/zinc/57/88/98/978578898.db2.gz RDTGQIXKGZREPX-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1ncc(C[N@H+]2CCCCC23COC3)o1 ZINC001233367211 978578903 /nfs/dbraw/zinc/57/89/03/978578903.db2.gz RDTGQIXKGZREPX-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO C[C@]1(F)CCN(Cc2cccc(N)[nH+]2)C[C@H]1F ZINC001233369567 978585097 /nfs/dbraw/zinc/58/50/97/978585097.db2.gz TZZNVBUQXAOUNW-PWSUYJOCSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cccc(N)n2)C[C@H]1F ZINC001233369567 978585101 /nfs/dbraw/zinc/58/51/01/978585101.db2.gz TZZNVBUQXAOUNW-PWSUYJOCSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cccc(N)n2)C[C@H]1F ZINC001233369567 978585103 /nfs/dbraw/zinc/58/51/03/978585103.db2.gz TZZNVBUQXAOUNW-PWSUYJOCSA-N 1 2 241.285 1.936 20 0 BDADLO CCCCOC1CN(Cc2cccc(N)[nH+]2)C1 ZINC001233371478 978585344 /nfs/dbraw/zinc/58/53/44/978585344.db2.gz SHDMTWODYPNDBE-UHFFFAOYSA-N 1 2 235.331 1.665 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446327 978603410 /nfs/dbraw/zinc/60/34/10/978603410.db2.gz QNUMGPVIXVUJPQ-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446327 978603415 /nfs/dbraw/zinc/60/34/15/978603415.db2.gz QNUMGPVIXVUJPQ-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233451031 978607854 /nfs/dbraw/zinc/60/78/54/978607854.db2.gz UATWXZOINIPLBB-SECBINFHSA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233451031 978607866 /nfs/dbraw/zinc/60/78/66/978607866.db2.gz UATWXZOINIPLBB-SECBINFHSA-N 1 2 239.706 1.541 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233447203 978608428 /nfs/dbraw/zinc/60/84/28/978608428.db2.gz XEKBLVCGZWXVHF-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cncc(Cl)n1 ZINC001233447203 978608439 /nfs/dbraw/zinc/60/84/39/978608439.db2.gz XEKBLVCGZWXVHF-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cn1 ZINC001178717296 978621426 /nfs/dbraw/zinc/62/14/26/978621426.db2.gz PZJLKTULNSUFFK-JOYOIKCWSA-N 1 2 243.314 1.777 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cn1 ZINC001178717297 978622959 /nfs/dbraw/zinc/62/29/59/978622959.db2.gz PZJLKTULNSUFFK-SKDRFNHKSA-N 1 2 243.314 1.777 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)c2nccn21 ZINC001178717712 978623150 /nfs/dbraw/zinc/62/31/50/978623150.db2.gz ZFCAYOBFSIDOEL-BXKDBHETSA-N 1 2 247.298 1.764 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCOCC1 ZINC001338240171 978640838 /nfs/dbraw/zinc/64/08/38/978640838.db2.gz CJTZMXRHQMPCDE-GFCCVEGCSA-N 1 2 248.326 1.876 20 0 BDADLO CC[NH+]1CC(Oc2ccc3ncc(F)cc3n2)C1 ZINC001233736921 978682694 /nfs/dbraw/zinc/68/26/94/978682694.db2.gz OTJJZYLHCTXJAO-UHFFFAOYSA-N 1 2 247.273 1.852 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1C(=O)[O-] ZINC001600413607 978691772 /nfs/dbraw/zinc/69/17/72/978691772.db2.gz MMCNMHRNLTWOSZ-GFCCVEGCSA-N 1 2 248.326 1.616 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1C(=O)[O-] ZINC001600413607 978691779 /nfs/dbraw/zinc/69/17/79/978691779.db2.gz MMCNMHRNLTWOSZ-GFCCVEGCSA-N 1 2 248.326 1.616 20 0 BDADLO COc1ncc(C[N@H+](C)Cc2ccncc2)cn1 ZINC001206380959 978704727 /nfs/dbraw/zinc/70/47/27/978704727.db2.gz HGLNQEPWQMWRRV-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ncc(C[N@@H+](C)Cc2ccncc2)cn1 ZINC001206380959 978704740 /nfs/dbraw/zinc/70/47/40/978704740.db2.gz HGLNQEPWQMWRRV-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1nocc1NC(=O)c1cccc2[nH+]ccn21 ZINC001277811801 978708385 /nfs/dbraw/zinc/70/83/85/978708385.db2.gz NNNOPAWLXBWQOR-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CCOC(C)(C)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001338566376 978708694 /nfs/dbraw/zinc/70/86/94/978708694.db2.gz ULAMTQCOUSSBHH-SNVBAGLBSA-N 1 2 239.319 1.375 20 0 BDADLO Cc1[nH]c(C[N@@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])c(C)[nH+]1 ZINC001600692030 978718823 /nfs/dbraw/zinc/71/88/23/978718823.db2.gz BOZPZACYISMDFA-MFKMUULPSA-N 1 2 249.314 1.466 20 0 BDADLO Cc1[nH]c(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])c(C)[nH+]1 ZINC001600692030 978718828 /nfs/dbraw/zinc/71/88/28/978718828.db2.gz BOZPZACYISMDFA-MFKMUULPSA-N 1 2 249.314 1.466 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2nnc(CO)[nH]2)C[C@H]1C ZINC001179842064 978764213 /nfs/dbraw/zinc/76/42/13/978764213.db2.gz AVZKBONRKVGOSB-BBBLOLIVSA-N 1 2 238.335 1.211 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000069862894 978765303 /nfs/dbraw/zinc/76/53/03/978765303.db2.gz UCAHCZWLTRSBOX-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO CCc1ocnc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001339102988 978793860 /nfs/dbraw/zinc/79/38/60/978793860.db2.gz LYUGGNUKMPQIJK-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO O=C([O-])CC1(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001601915238 978867170 /nfs/dbraw/zinc/86/71/70/978867170.db2.gz IABZJJXXMNKYQB-QWRGUYRKSA-N 1 2 238.331 1.068 20 0 BDADLO O=C([O-])CC1(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001601915238 978867172 /nfs/dbraw/zinc/86/71/72/978867172.db2.gz IABZJJXXMNKYQB-QWRGUYRKSA-N 1 2 238.331 1.068 20 0 BDADLO O=C([O-])CCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001601987423 978877206 /nfs/dbraw/zinc/87/72/06/978877206.db2.gz DDLQPAJQZVPSPM-GHMZBOCLSA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001601987423 978877208 /nfs/dbraw/zinc/87/72/08/978877208.db2.gz DDLQPAJQZVPSPM-GHMZBOCLSA-N 1 2 226.320 1.068 20 0 BDADLO CC[NH+]1CC(Oc2ccc(NC(C)=O)cn2)C1 ZINC001234647468 978886537 /nfs/dbraw/zinc/88/65/37/978886537.db2.gz KPEHBDZBELAKAM-UHFFFAOYSA-N 1 2 235.287 1.123 20 0 BDADLO CCc1ccc(N2CCN(C(C)C)C(=O)C2)[nH+]c1 ZINC001339650071 978887529 /nfs/dbraw/zinc/88/75/29/978887529.db2.gz UPJBVABIIDJYNV-UHFFFAOYSA-N 1 2 247.342 1.701 20 0 BDADLO Cc1c[nH]c(CCNC(=O)COCC(C)C)[nH+]1 ZINC001180752547 978937512 /nfs/dbraw/zinc/93/75/12/978937512.db2.gz LVRIHODWPRSVRN-UHFFFAOYSA-N 1 2 239.319 1.049 20 0 BDADLO Fc1cnc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)nc1 ZINC001235017062 978954871 /nfs/dbraw/zinc/95/48/71/978954871.db2.gz LHNZYPJHXGYXSF-MWLCHTKSSA-N 1 2 237.278 1.227 20 0 BDADLO Fc1cnc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)nc1 ZINC001235017062 978954876 /nfs/dbraw/zinc/95/48/76/978954876.db2.gz LHNZYPJHXGYXSF-MWLCHTKSSA-N 1 2 237.278 1.227 20 0 BDADLO Fc1cnc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)nc1 ZINC001235017046 978956528 /nfs/dbraw/zinc/95/65/28/978956528.db2.gz LHNZYPJHXGYXSF-GXSJLCMTSA-N 1 2 237.278 1.227 20 0 BDADLO Fc1cnc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)nc1 ZINC001235017046 978956538 /nfs/dbraw/zinc/95/65/38/978956538.db2.gz LHNZYPJHXGYXSF-GXSJLCMTSA-N 1 2 237.278 1.227 20 0 BDADLO CCOC(C)(C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001181153121 979013018 /nfs/dbraw/zinc/01/30/18/979013018.db2.gz YQZQQLPVCLWOLE-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1C[C@H]1F ZINC001340475917 979027686 /nfs/dbraw/zinc/02/76/86/979027686.db2.gz CWBRCAKEHDVIDD-JGVFFNPUSA-N 1 2 219.219 1.631 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(C)cnc1F ZINC001235342167 979030134 /nfs/dbraw/zinc/03/01/34/979030134.db2.gz JLFRKHRBTGFQGT-LLVKDONJSA-N 1 2 224.279 1.750 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(C)cnc1F ZINC001235342167 979030141 /nfs/dbraw/zinc/03/01/41/979030141.db2.gz JLFRKHRBTGFQGT-LLVKDONJSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)c1C ZINC001181275851 979030396 /nfs/dbraw/zinc/03/03/96/979030396.db2.gz GLZOQZZLECADTN-QWRGUYRKSA-N 1 2 223.320 1.229 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cncc(F)c1Cl ZINC001235487615 979052570 /nfs/dbraw/zinc/05/25/70/979052570.db2.gz GJEVAXOXTGAXGP-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cncc(F)c1Cl ZINC001235487615 979052576 /nfs/dbraw/zinc/05/25/76/979052576.db2.gz GJEVAXOXTGAXGP-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO Cc1ncn(C)c1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001235540146 979058101 /nfs/dbraw/zinc/05/81/01/979058101.db2.gz HNNKKEWJQMFCRI-UWVGGRQHSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1ncn(C)c1C[N@H+](C)Cc1ccncc1 ZINC001235535876 979071499 /nfs/dbraw/zinc/07/14/99/979071499.db2.gz CAHBZBDNGYNNGO-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ncn(C)c1C[N@@H+](C)Cc1ccncc1 ZINC001235535876 979071509 /nfs/dbraw/zinc/07/15/09/979071509.db2.gz CAHBZBDNGYNNGO-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1[nH+]cn(C)c1CN1Cc2cnc(C)cc2C1 ZINC001235546422 979086136 /nfs/dbraw/zinc/08/61/36/979086136.db2.gz CPLHRYORXHIFEV-UHFFFAOYSA-N 1 2 242.326 1.948 20 0 BDADLO CCC[C@H](OC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001340810423 979116968 /nfs/dbraw/zinc/11/69/68/979116968.db2.gz JOARNFFZUSCJBD-NSHDSACASA-N 1 2 236.315 1.874 20 0 BDADLO COC(=O)c1cccc2c1C[N@H+](CCCCO)C2 ZINC001235791975 979150232 /nfs/dbraw/zinc/15/02/32/979150232.db2.gz SWKJLJTZKUXCCZ-UHFFFAOYSA-N 1 2 249.310 1.561 20 0 BDADLO COC(=O)c1cccc2c1C[N@@H+](CCCCO)C2 ZINC001235791975 979150238 /nfs/dbraw/zinc/15/02/38/979150238.db2.gz SWKJLJTZKUXCCZ-UHFFFAOYSA-N 1 2 249.310 1.561 20 0 BDADLO OCCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001235947229 979219928 /nfs/dbraw/zinc/21/99/28/979219928.db2.gz YYPQOPHYNREJLM-ZDUSSCGKSA-N 1 2 236.315 1.227 20 0 BDADLO OCCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001235947229 979219939 /nfs/dbraw/zinc/21/99/39/979219939.db2.gz YYPQOPHYNREJLM-ZDUSSCGKSA-N 1 2 236.315 1.227 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)C[C@H]([NH3+])C(F)F ZINC001341138280 979250126 /nfs/dbraw/zinc/25/01/26/979250126.db2.gz DMGBEAKEMCZWRX-YUDCMIJISA-N 1 2 240.681 1.616 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCC(=O)C1 ZINC001181859175 979336398 /nfs/dbraw/zinc/33/63/98/979336398.db2.gz DFQILMNMNQOJCW-VIFPVBQESA-N 1 2 243.266 1.642 20 0 BDADLO Cc1cc(NC(=O)NC2(C)CC2)c(C)c[nH+]1 ZINC001341494649 979438813 /nfs/dbraw/zinc/43/88/13/979438813.db2.gz VOXFYTINIRVBRF-UHFFFAOYSA-N 1 2 219.288 1.794 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001236251682 979471500 /nfs/dbraw/zinc/47/15/00/979471500.db2.gz XPQJBTZSKGWTMZ-CYBMUJFWSA-N 1 2 231.343 1.578 20 0 BDADLO [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001236251682 979471502 /nfs/dbraw/zinc/47/15/02/979471502.db2.gz XPQJBTZSKGWTMZ-CYBMUJFWSA-N 1 2 231.343 1.578 20 0 BDADLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110268882 979484284 /nfs/dbraw/zinc/48/42/84/979484284.db2.gz OZNBGRRVSSUEKL-BBBLOLIVSA-N 1 2 246.351 1.040 20 0 BDADLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110268882 979484296 /nfs/dbraw/zinc/48/42/96/979484296.db2.gz OZNBGRRVSSUEKL-BBBLOLIVSA-N 1 2 246.351 1.040 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001182290513 979489822 /nfs/dbraw/zinc/48/98/22/979489822.db2.gz ZTOILIYBRVEVGL-NWDGAFQWSA-N 1 2 248.301 1.359 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2C[C@@H]2C2CC2)o1 ZINC001341625432 979497768 /nfs/dbraw/zinc/49/77/68/979497768.db2.gz LAABQLKBDJKXBE-RKDXNWHRSA-N 1 2 207.277 1.645 20 0 BDADLO CNC(=O)Cc1ccccc1-c1ccc(N)[nH+]c1 ZINC001236312677 979518558 /nfs/dbraw/zinc/51/85/58/979518558.db2.gz TXRCYJNVWOYTPT-UHFFFAOYSA-N 1 2 241.294 1.619 20 0 BDADLO C[C@H](C(=O)N[C@@]1(C)CCCOC1)n1cc[nH+]c1 ZINC001341674606 979522612 /nfs/dbraw/zinc/52/26/12/979522612.db2.gz GNEBTFVCOVBLAD-PWSUYJOCSA-N 1 2 237.303 1.129 20 0 BDADLO CCc1nocc1C[NH2+]Cc1ncccc1OC ZINC001182387818 979528388 /nfs/dbraw/zinc/52/83/88/979528388.db2.gz NOIUPUYNHXEZSB-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO Cc1ccccc1C(C)(C)C(=O)NC1C[NH+](C)C1 ZINC001182468327 979538717 /nfs/dbraw/zinc/53/87/17/979538717.db2.gz ZMCXDDVRVLUZQV-UHFFFAOYSA-N 1 2 246.354 1.703 20 0 BDADLO Cc1c(NC(=O)[C@@H]2CC[N@H+]2C(C)C)cnn1C ZINC001182831006 979652697 /nfs/dbraw/zinc/65/26/97/979652697.db2.gz ZNVPKQIVDJQKSN-NSHDSACASA-N 1 2 236.319 1.150 20 0 BDADLO Cc1c(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)cnn1C ZINC001182831006 979652705 /nfs/dbraw/zinc/65/27/05/979652705.db2.gz ZNVPKQIVDJQKSN-NSHDSACASA-N 1 2 236.319 1.150 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC001604706075 979705790 /nfs/dbraw/zinc/70/57/90/979705790.db2.gz JRDGNZYSNNDOKY-ZWNOBZJWSA-N 1 2 248.326 1.615 20 0 BDADLO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001604815113 979728715 /nfs/dbraw/zinc/72/87/15/979728715.db2.gz PYMVCWQTPBJFRH-KCJUWKMLSA-N 1 2 238.287 1.065 20 0 BDADLO c1c[nH+]c(N2CCOCC2)c(C[C@@H]2CCCO2)c1 ZINC001250103533 979739418 /nfs/dbraw/zinc/73/94/18/979739418.db2.gz BYSPPQMEQQPBMH-ZDUSSCGKSA-N 1 2 248.326 1.640 20 0 BDADLO CC(=O)N1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237176119 979828868 /nfs/dbraw/zinc/82/88/68/979828868.db2.gz GHUFEFUDXPVZHT-UHFFFAOYSA-N 1 2 240.328 1.232 20 0 BDADLO CN1CC[C@@H]([N@H+](C)CC2OC=CC2=S)C1 ZINC001237188335 979836949 /nfs/dbraw/zinc/83/69/49/979836949.db2.gz VFYLODAVABPLDW-SECBINFHSA-N 1 2 226.345 1.704 20 0 BDADLO CN1CC[C@@H]([N@@H+](C)CC2OC=CC2=S)C1 ZINC001237188335 979836951 /nfs/dbraw/zinc/83/69/51/979836951.db2.gz VFYLODAVABPLDW-SECBINFHSA-N 1 2 226.345 1.704 20 0 BDADLO CN(CC1OC=CC1=S)[C@@H]1CC[N@H+](C)C1 ZINC001237188335 979836952 /nfs/dbraw/zinc/83/69/52/979836952.db2.gz VFYLODAVABPLDW-SECBINFHSA-N 1 2 226.345 1.704 20 0 BDADLO CN(CC1OC=CC1=S)[C@@H]1CC[N@@H+](C)C1 ZINC001237188335 979836953 /nfs/dbraw/zinc/83/69/53/979836953.db2.gz VFYLODAVABPLDW-SECBINFHSA-N 1 2 226.345 1.704 20 0 BDADLO CCN1CC[N@H+](CC2OC=CC2=S)CC1=O ZINC001237193085 979843420 /nfs/dbraw/zinc/84/34/20/979843420.db2.gz XHCPWDPHDWAAAO-UHFFFAOYSA-N 1 2 240.328 1.232 20 0 BDADLO CCN1CC[N@@H+](CC2OC=CC2=S)CC1=O ZINC001237193085 979843424 /nfs/dbraw/zinc/84/34/24/979843424.db2.gz XHCPWDPHDWAAAO-UHFFFAOYSA-N 1 2 240.328 1.232 20 0 BDADLO Nc1cccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001237222819 979855690 /nfs/dbraw/zinc/85/56/90/979855690.db2.gz SBTNYUXJIRPTEW-LBPRGKRZSA-N 1 2 249.333 1.497 20 0 BDADLO Nc1cccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001237222819 979855693 /nfs/dbraw/zinc/85/56/93/979855693.db2.gz SBTNYUXJIRPTEW-LBPRGKRZSA-N 1 2 249.333 1.497 20 0 BDADLO C[N@H+](Cc1cc(O)cc(F)c1)Cc1ccncn1 ZINC001237287232 979862716 /nfs/dbraw/zinc/86/27/16/979862716.db2.gz OTMGVBASDZWHBP-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@@H+](Cc1cc(O)cc(F)c1)Cc1ccncn1 ZINC001237287232 979862721 /nfs/dbraw/zinc/86/27/21/979862721.db2.gz OTMGVBASDZWHBP-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[C@H](C(=O)N[C@H]1CSC[C@H]1C)n1cc[nH+]c1 ZINC001342699903 979871387 /nfs/dbraw/zinc/87/13/87/979871387.db2.gz LIEJWGXVWDVLBD-BBBLOLIVSA-N 1 2 239.344 1.312 20 0 BDADLO CC1C[NH+](Cc2cc3ccccn3n2)C1 ZINC001237437562 979892570 /nfs/dbraw/zinc/89/25/70/979892570.db2.gz AKBIQNIOVCIFJR-UHFFFAOYSA-N 1 2 201.273 1.786 20 0 BDADLO Nc1ccc(CCC(=O)NCc2ccc[nH]2)c[nH+]1 ZINC001183934992 979902123 /nfs/dbraw/zinc/90/21/23/979902123.db2.gz FQIJQHRNGVXMLC-UHFFFAOYSA-N 1 2 244.298 1.241 20 0 BDADLO COc1c(C)cccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001237514216 979928090 /nfs/dbraw/zinc/92/80/90/979928090.db2.gz SBYDDRAZTXSKFW-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO COc1c(C)cccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001237514216 979928096 /nfs/dbraw/zinc/92/80/96/979928096.db2.gz SBYDDRAZTXSKFW-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO CCc1ccccc1C[NH2+][C@H](CO)c1ncc[nH]1 ZINC001184002498 979930564 /nfs/dbraw/zinc/93/05/64/979930564.db2.gz RCFQJYWAZABJGY-CYBMUJFWSA-N 1 2 245.326 1.795 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn3nccc3c2)[C@H](C)CO1 ZINC001237544578 979935148 /nfs/dbraw/zinc/93/51/48/979935148.db2.gz KDHXPSISZQBMNQ-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn3nccc3c2)[C@H](C)CO1 ZINC001237544578 979935155 /nfs/dbraw/zinc/93/51/55/979935155.db2.gz KDHXPSISZQBMNQ-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](OC)[C@@H](F)C1 ZINC001237587634 979945928 /nfs/dbraw/zinc/94/59/28/979945928.db2.gz HDVVSUXFPKMSOI-WDEREUQCSA-N 1 2 227.283 1.072 20 0 BDADLO CN(C)c1cc[nH+]c(C[NH2+][C@@H](C(=O)[O-])C2CC2)c1 ZINC001606062078 979948043 /nfs/dbraw/zinc/94/80/43/979948043.db2.gz QLOXVVTZHTYCJM-GFCCVEGCSA-N 1 2 249.314 1.100 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001237588726 979950883 /nfs/dbraw/zinc/95/08/83/979950883.db2.gz UEYFOVREZFOFGB-QWRGUYRKSA-N 1 2 241.310 1.055 20 0 BDADLO Nc1cc(-c2csc(CO)c2)cc[nH+]1 ZINC001205290246 979954429 /nfs/dbraw/zinc/95/44/29/979954429.db2.gz HEZRZMPPAQKWEK-UHFFFAOYSA-N 1 2 206.270 1.885 20 0 BDADLO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3nnc[nH]3)C[C@@H]21 ZINC001237603935 979967282 /nfs/dbraw/zinc/96/72/82/979967282.db2.gz GAGGWWSGUHVCTM-OUAUKWLOSA-N 1 2 236.319 1.052 20 0 BDADLO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nnc[nH]3)C[C@@H]21 ZINC001237603935 979967287 /nfs/dbraw/zinc/96/72/87/979967287.db2.gz GAGGWWSGUHVCTM-OUAUKWLOSA-N 1 2 236.319 1.052 20 0 BDADLO C[NH+]1CC(NC(=O)C2CC3(C2)CC(F)(F)C3)C1 ZINC001184204603 979967829 /nfs/dbraw/zinc/96/78/29/979967829.db2.gz VBBQIGDLZBINHS-UHFFFAOYSA-N 1 2 244.285 1.242 20 0 BDADLO C[C@@H](O)c1cccc(N2CCn3c[nH+]cc3C2)n1 ZINC001343039624 979992139 /nfs/dbraw/zinc/99/21/39/979992139.db2.gz MIPDVEGUSUGVPS-SNVBAGLBSA-N 1 2 244.298 1.352 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2nc(C)co2)C1 ZINC001237642614 979992649 /nfs/dbraw/zinc/99/26/49/979992649.db2.gz KWCXVCQVZRDPBC-VIFPVBQESA-N 1 2 210.277 1.450 20 0 BDADLO CCc1[nH]ncc1C[N@H+](CC)CCn1cccn1 ZINC001237659230 980025753 /nfs/dbraw/zinc/02/57/53/980025753.db2.gz NJNJSOIFJBUHIE-UHFFFAOYSA-N 1 2 247.346 1.691 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](CC)CCn1cccn1 ZINC001237659230 980025765 /nfs/dbraw/zinc/02/57/65/980025765.db2.gz NJNJSOIFJBUHIE-UHFFFAOYSA-N 1 2 247.346 1.691 20 0 BDADLO CC(=O)[C@@H](C)CC(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001184346095 980053565 /nfs/dbraw/zinc/05/35/65/980053565.db2.gz ZAVQYIWRQFKSFL-VIFPVBQESA-N 1 2 240.347 1.201 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@]23CCOC3)ccc1F ZINC001237821790 980072326 /nfs/dbraw/zinc/07/23/26/980072326.db2.gz FCAMLGIKNLWPNH-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@]23CCOC3)ccc1F ZINC001237821790 980072329 /nfs/dbraw/zinc/07/23/29/980072329.db2.gz FCAMLGIKNLWPNH-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO CC[NH+]1CC2(C1)CC[C@@H](C(=O)NC(C)(C)C)O2 ZINC001278161873 980114478 /nfs/dbraw/zinc/11/44/78/980114478.db2.gz PPIFSUSFYBKMKN-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)ccc1C(=O)[O-] ZINC001607640916 980119780 /nfs/dbraw/zinc/11/97/80/980119780.db2.gz FBSFDCIZKBHNSN-GFCCVEGCSA-N 1 2 248.326 1.616 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)ccc1C(=O)[O-] ZINC001607640916 980119783 /nfs/dbraw/zinc/11/97/83/980119783.db2.gz FBSFDCIZKBHNSN-GFCCVEGCSA-N 1 2 248.326 1.616 20 0 BDADLO CC(C)c1nnc2n1CC[N@@H+](Cc1cc[nH]c1)C2 ZINC000334316555 980126932 /nfs/dbraw/zinc/12/69/32/980126932.db2.gz PDNMCQFANUFTCX-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)c1nnc2n1CC[N@H+](Cc1cc[nH]c1)C2 ZINC000334316555 980126944 /nfs/dbraw/zinc/12/69/44/980126944.db2.gz PDNMCQFANUFTCX-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO Cc1ccc(O)cc1C[NH+]1CCOCC1 ZINC001238101821 980150411 /nfs/dbraw/zinc/15/04/11/980150411.db2.gz UORBLORUFXNZBM-UHFFFAOYSA-N 1 2 207.273 1.533 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2c(N)ccnc2F)C1 ZINC001238150167 980177733 /nfs/dbraw/zinc/17/77/33/980177733.db2.gz PLOUJLQGGJZFQW-IUCAKERBSA-N 1 2 241.285 1.983 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2c(N)ccnc2F)C1 ZINC001238150167 980177736 /nfs/dbraw/zinc/17/77/36/980177736.db2.gz PLOUJLQGGJZFQW-IUCAKERBSA-N 1 2 241.285 1.983 20 0 BDADLO Cn1nncc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001238156757 980182134 /nfs/dbraw/zinc/18/21/34/980182134.db2.gz XSYSJPMWSSPNCE-VIFPVBQESA-N 1 2 212.272 1.139 20 0 BDADLO Cn1nncc1C[N@H+]1CCCC[C@H](F)C1 ZINC001238156757 980182137 /nfs/dbraw/zinc/18/21/37/980182137.db2.gz XSYSJPMWSSPNCE-VIFPVBQESA-N 1 2 212.272 1.139 20 0 BDADLO CC[N@H+](Cc1cnnn1C)Cc1ccc(F)cc1 ZINC001238168672 980202214 /nfs/dbraw/zinc/20/22/14/980202214.db2.gz WVMQPILXPCHYBR-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cnnn1C)Cc1ccc(F)cc1 ZINC001238168672 980202222 /nfs/dbraw/zinc/20/22/22/980202222.db2.gz WVMQPILXPCHYBR-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cncnc1C ZINC001238175652 980204842 /nfs/dbraw/zinc/20/48/42/980204842.db2.gz OWSBFEVJHROXOV-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cncnc1C ZINC001238175652 980204859 /nfs/dbraw/zinc/20/48/59/980204859.db2.gz OWSBFEVJHROXOV-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ncncc1C[N@H+]1CCOC[C@@H]1C(C)C ZINC001238172034 980205742 /nfs/dbraw/zinc/20/57/42/980205742.db2.gz CSSRRDRRDKUTKG-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001238172034 980205762 /nfs/dbraw/zinc/20/57/62/980205762.db2.gz CSSRRDRRDKUTKG-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cn1ccc(C(=O)OCCCc2c[nH+]cn2C)c1 ZINC001343732203 980225128 /nfs/dbraw/zinc/22/51/28/980225128.db2.gz DJEVNAIARJXOLG-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ncc(C)cc2C)CC1 ZINC001238424812 980249766 /nfs/dbraw/zinc/24/97/66/980249766.db2.gz CSALMICCRBXTPS-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C)C2)c(C)c1 ZINC001238427892 980256475 /nfs/dbraw/zinc/25/64/75/980256475.db2.gz XTLHUKJYSMLRAU-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C)C2)c(C)c1 ZINC001238427892 980256486 /nfs/dbraw/zinc/25/64/86/980256486.db2.gz XTLHUKJYSMLRAU-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO CCOc1ccc(C)c(C[NH+]2CC(O)C2)c1 ZINC001238705422 980311640 /nfs/dbraw/zinc/31/16/40/980311640.db2.gz QTLXTAYEGLJKTK-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO C[C@H](CCc1ccccc1)C(=O)NC1C[NH+](C)C1 ZINC001186025891 980312135 /nfs/dbraw/zinc/31/21/35/980312135.db2.gz WCDYVJKZYJSURP-GFCCVEGCSA-N 1 2 246.354 1.686 20 0 BDADLO Cc1ccnc(CNC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001344016897 980315826 /nfs/dbraw/zinc/31/58/26/980315826.db2.gz OBMKTRUQEHKCND-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC001344041954 980325022 /nfs/dbraw/zinc/32/50/22/980325022.db2.gz XRZMFIKUTWJMMR-ZDUSSCGKSA-N 1 2 245.330 1.523 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC001344041954 980325027 /nfs/dbraw/zinc/32/50/27/980325027.db2.gz XRZMFIKUTWJMMR-ZDUSSCGKSA-N 1 2 245.330 1.523 20 0 BDADLO Nc1ccc(-c2cccc(CCO)c2)c[nH+]1 ZINC001239032694 980417581 /nfs/dbraw/zinc/41/75/81/980417581.db2.gz WHMKODJIBPYEOV-UHFFFAOYSA-N 1 2 214.268 1.866 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)NCC1CC1 ZINC001186642081 980426081 /nfs/dbraw/zinc/42/60/81/980426081.db2.gz IHKOKFBQMUBCLQ-UHFFFAOYSA-N 1 2 248.330 1.817 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(/C=C/C(C)(C)O)cc1 ZINC001239157658 980470875 /nfs/dbraw/zinc/47/08/75/980470875.db2.gz DTOVICKAGQZZME-BCPZQOPPSA-N 1 2 249.310 1.644 20 0 BDADLO Cc1ncsc1C[NH2+][C@H](C)c1nonc1C ZINC000825284806 980504768 /nfs/dbraw/zinc/50/47/68/980504768.db2.gz RLJAVIONKHNHDF-SSDOTTSWSA-N 1 2 238.316 1.994 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1CCC=N1 ZINC001187377510 980509092 /nfs/dbraw/zinc/50/90/92/980509092.db2.gz UXVQLXVBDFZSOZ-GFCCVEGCSA-N 1 2 246.314 1.458 20 0 BDADLO C[C@H](C(=O)OCCCc1c[nH+]cn1C)C1CC1 ZINC001345059222 980536175 /nfs/dbraw/zinc/53/61/75/980536175.db2.gz FWWIYLPHWQQLOS-JTQLQIEISA-N 1 2 236.315 1.942 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001188050704 980578459 /nfs/dbraw/zinc/57/84/59/980578459.db2.gz KNKIYUKTQOWBBO-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]ccn3CC2)c[nH]1 ZINC001188196317 980618848 /nfs/dbraw/zinc/61/88/48/980618848.db2.gz WJPAODMRJRSRIL-UHFFFAOYSA-N 1 2 244.298 1.218 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H](C)SC ZINC001345589850 980637742 /nfs/dbraw/zinc/63/77/42/980637742.db2.gz KWZPGAZOAKYJSO-QMMMGPOBSA-N 1 2 228.317 1.698 20 0 BDADLO CCN(C(=O)c1cc(C2CC2)n[nH]1)C1C[NH+](C)C1 ZINC001188392016 980642218 /nfs/dbraw/zinc/64/22/18/980642218.db2.gz VIYJBQWORGEJEF-UHFFFAOYSA-N 1 2 248.330 1.063 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CC12CC2 ZINC001345610026 980647051 /nfs/dbraw/zinc/64/70/51/980647051.db2.gz NPZIWSLMQPZUND-JTQLQIEISA-N 1 2 220.272 1.746 20 0 BDADLO Nc1ccc(F)c(CC[NH+]2CCOCC2)c1 ZINC001250278231 980651141 /nfs/dbraw/zinc/65/11/41/980651141.db2.gz XXAGSCSTZFODEX-UHFFFAOYSA-N 1 2 224.279 1.283 20 0 BDADLO C1=C(c2c[nH+]c3c(c2)CCCN3)COC1 ZINC001239494101 980652629 /nfs/dbraw/zinc/65/26/29/980652629.db2.gz FZTMDVYTZLILBG-UHFFFAOYSA-N 1 2 202.257 1.549 20 0 BDADLO C[NH+](C)Cc1nnc(CC2CCOCC2)o1 ZINC001345941686 980713629 /nfs/dbraw/zinc/71/36/29/980713629.db2.gz NLQWLBSQTKIUBI-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001346071741 980748286 /nfs/dbraw/zinc/74/82/86/980748286.db2.gz JSZXRHRUDAUDBD-LLVKDONJSA-N 1 2 235.331 1.754 20 0 BDADLO CN(CC(=O)NCC(F)(F)F)c1cccc[nH+]1 ZINC000076803116 980794474 /nfs/dbraw/zinc/79/44/74/980794474.db2.gz BEMSXGCIQPJDJL-UHFFFAOYSA-N 1 2 247.220 1.196 20 0 BDADLO CNc1cc(CNC(=O)N[C@H]2C=CCC2)cc[nH+]1 ZINC001346505522 980853764 /nfs/dbraw/zinc/85/37/64/980853764.db2.gz IIMSGGCKNPTYAF-NSHDSACASA-N 1 2 246.314 1.641 20 0 BDADLO CS(=O)(=O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001239700763 980855447 /nfs/dbraw/zinc/85/54/47/980855447.db2.gz PUXHSSYXXDDEQF-UHFFFAOYSA-N 1 2 249.295 1.129 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001346592727 980868225 /nfs/dbraw/zinc/86/82/25/980868225.db2.gz XNPHJQSFKLZYSX-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO CSCC1(Cc2nnc(C[NH+](C)C)o2)CC1 ZINC001346662630 980877471 /nfs/dbraw/zinc/87/74/71/980877471.db2.gz OYMMOJMSNVNSTI-UHFFFAOYSA-N 1 2 241.360 1.817 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cn1 ZINC001346841737 980919747 /nfs/dbraw/zinc/91/97/47/980919747.db2.gz GBDVRZDNGGYTSE-GXSJLCMTSA-N 1 2 244.302 1.371 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccnn1C ZINC001346867052 980924053 /nfs/dbraw/zinc/92/40/53/980924053.db2.gz FMIRSDBRZFSHMV-LPEHRKFASA-N 1 2 246.318 1.368 20 0 BDADLO CCCOc1ccccc1C(=O)NC1C[NH+](C)C1 ZINC001191003833 980957242 /nfs/dbraw/zinc/95/72/42/980957242.db2.gz OGVCEQPAXQKSMZ-UHFFFAOYSA-N 1 2 248.326 1.519 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001347329335 981048272 /nfs/dbraw/zinc/04/82/72/981048272.db2.gz JXTIHQGKZWQIAX-QWRGUYRKSA-N 1 2 237.347 1.761 20 0 BDADLO Cc1n[nH]c(C)c1-c1ccn2cc(N)[nH+]c2c1 ZINC001240124385 981119925 /nfs/dbraw/zinc/11/99/25/981119925.db2.gz CZJTXXAEMFZEFT-UHFFFAOYSA-N 1 2 227.271 1.923 20 0 BDADLO O=C([C@H]1C[C@@H]1F)N1CC(Oc2cc[nH+]cc2)C1 ZINC001347580249 981122445 /nfs/dbraw/zinc/12/24/45/981122445.db2.gz HENXNRQNTMGUHU-QWRGUYRKSA-N 1 2 236.246 1.029 20 0 BDADLO NC(=O)c1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240214186 981161053 /nfs/dbraw/zinc/16/10/53/981161053.db2.gz KSIIUTVTEBJDFG-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO COc1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240215467 981163247 /nfs/dbraw/zinc/16/32/47/981163247.db2.gz SAVIDQDHPPXORA-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Nc1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001240215271 981163807 /nfs/dbraw/zinc/16/38/07/981163807.db2.gz WQJAMBKOYOGAFA-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Cn1c(=O)cccc1-c1ccc2[nH+]ccn2c1 ZINC001240218603 981170455 /nfs/dbraw/zinc/17/04/55/981170455.db2.gz SXXZNXAFIHTZLW-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO CO[C@]1(C)C[C@@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC001347851362 981198262 /nfs/dbraw/zinc/19/82/62/981198262.db2.gz XKBNGHGSTAHOFE-MWLCHTKSSA-N 1 2 224.308 1.098 20 0 BDADLO CO[C@]1(C)C[C@@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC001347851362 981198268 /nfs/dbraw/zinc/19/82/68/981198268.db2.gz XKBNGHGSTAHOFE-MWLCHTKSSA-N 1 2 224.308 1.098 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cn[nH]c1 ZINC001240241278 981212225 /nfs/dbraw/zinc/21/22/25/981212225.db2.gz KUOYYHLJRQDOQP-UHFFFAOYSA-N 1 2 202.261 1.846 20 0 BDADLO Nc1cc(N2CCC(c3cn[nH]c3)CC2)[nH+]cn1 ZINC001347969802 981231999 /nfs/dbraw/zinc/23/19/99/981231999.db2.gz NZZIGTPCKPBMQK-UHFFFAOYSA-N 1 2 244.302 1.166 20 0 BDADLO CC(=O)NCc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001240351412 981308725 /nfs/dbraw/zinc/30/87/25/981308725.db2.gz VTDNUVPNBUNBMX-UHFFFAOYSA-N 1 2 241.294 1.967 20 0 BDADLO C[C@H]1CC/C(=C/C(=O)NCCc2[nH+]ccn2C)C1 ZINC001348228577 981313198 /nfs/dbraw/zinc/31/31/98/981313198.db2.gz IWQQVDYLAZBEAS-NIANNCQZSA-N 1 2 247.342 1.825 20 0 BDADLO c1cn(-c2cc[nH+]c(-c3cncnc3)c2)cn1 ZINC001240374790 981323195 /nfs/dbraw/zinc/32/31/95/981323195.db2.gz KKVYWSUABGXRIJ-UHFFFAOYSA-N 1 2 223.239 1.724 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2Cc3ccc(F)cc32)o1 ZINC001348434920 981361629 /nfs/dbraw/zinc/36/16/29/981361629.db2.gz CSGBIOQVLLXTAV-LLVKDONJSA-N 1 2 247.273 1.958 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC=CCC1 ZINC001348592619 981403908 /nfs/dbraw/zinc/40/39/08/981403908.db2.gz VFFNAXTYGPDJPQ-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO COc1nccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497087 981418185 /nfs/dbraw/zinc/41/81/85/981418185.db2.gz SRJZYDYWOYEIQZ-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO COCc1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496682 981418854 /nfs/dbraw/zinc/41/88/54/981418854.db2.gz PWARBABLGGZLRH-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO Nc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240509080 981432956 /nfs/dbraw/zinc/43/29/56/981432956.db2.gz QIZXQANZYAJHPZ-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO CC(C)(C)c1cn(C[C@@H](O)Cn2cccn2)c[nH+]1 ZINC001348816112 981450816 /nfs/dbraw/zinc/45/08/16/981450816.db2.gz ZXOJCQKXWMLJSV-LLVKDONJSA-N 1 2 248.330 1.438 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc(C)[nH+]2)[nH]1 ZINC001193910747 981512094 /nfs/dbraw/zinc/51/20/94/981512094.db2.gz GKLSLYUMEQGCKB-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO O=C1CC2(CC2)CN1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001349509702 981568917 /nfs/dbraw/zinc/56/89/17/981568917.db2.gz CBABFHXKIRFXAF-DTORHVGOSA-N 1 2 242.269 1.153 20 0 BDADLO O=C1CC2(CC2)CN1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001349509702 981568921 /nfs/dbraw/zinc/56/89/21/981568921.db2.gz CBABFHXKIRFXAF-DTORHVGOSA-N 1 2 242.269 1.153 20 0 BDADLO C[C@@H](CC(=O)OC[C@H]1CCO1)n1cc[nH+]c1 ZINC001349639224 981595615 /nfs/dbraw/zinc/59/56/15/981595615.db2.gz DLBZXECBEUQWNW-VHSXEESVSA-N 1 2 224.260 1.166 20 0 BDADLO CCCCCCOC(=O)NC1C[NH+](C)C1 ZINC001194195202 981595726 /nfs/dbraw/zinc/59/57/26/981595726.db2.gz NKOPXUMVVHHTQT-UHFFFAOYSA-N 1 2 214.309 1.607 20 0 BDADLO CC(C)(C)c1nnc(N2CCn3c[nH+]cc3C2)o1 ZINC001349778138 981735347 /nfs/dbraw/zinc/73/53/47/981735347.db2.gz SAWSQPLMDPFBED-UHFFFAOYSA-N 1 2 247.302 1.584 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC1(C)C ZINC001349844995 981788482 /nfs/dbraw/zinc/78/84/82/981788482.db2.gz FSHUMZGIRAFPBD-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO CC[C@H](SC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001583338317 981812130 /nfs/dbraw/zinc/81/21/30/981812130.db2.gz FZYCYSPRXMRIFO-JTQLQIEISA-N 1 2 241.360 1.220 20 0 BDADLO O=C1CCN1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC001349937781 981821209 /nfs/dbraw/zinc/82/12/09/981821209.db2.gz BIUYPHUJZCCBLZ-VIFPVBQESA-N 1 2 237.328 1.122 20 0 BDADLO O=C1CCN1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC001349937781 981821212 /nfs/dbraw/zinc/82/12/12/981821212.db2.gz BIUYPHUJZCCBLZ-VIFPVBQESA-N 1 2 237.328 1.122 20 0 BDADLO c1cn2cc(-c3cnn(C4COC4)c3)ccc2[nH+]1 ZINC001240784367 981825400 /nfs/dbraw/zinc/82/54/00/981825400.db2.gz IQMYDHMOVSULOB-UHFFFAOYSA-N 1 2 240.266 1.769 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC001194525804 981828362 /nfs/dbraw/zinc/82/83/62/981828362.db2.gz WBLUSUQWRHZSCW-SNVBAGLBSA-N 1 2 223.295 1.691 20 0 BDADLO CN(C)c1cccc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC001194525804 981828366 /nfs/dbraw/zinc/82/83/66/981828366.db2.gz WBLUSUQWRHZSCW-SNVBAGLBSA-N 1 2 223.295 1.691 20 0 BDADLO C=Cc1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC001240826857 981867570 /nfs/dbraw/zinc/86/75/70/981867570.db2.gz NPZZIRBEEIJMAY-UHFFFAOYSA-N 1 2 231.299 1.112 20 0 BDADLO CCC(CC)COC(=O)NC1C[NH+](C)C1 ZINC001194716970 981870022 /nfs/dbraw/zinc/87/00/22/981870022.db2.gz PXCZAZJQLPOYPK-UHFFFAOYSA-N 1 2 214.309 1.463 20 0 BDADLO Cc1cc(-c2cc(-n3ccnc3)cc[nH+]2)n(C)n1 ZINC001240858314 981897820 /nfs/dbraw/zinc/89/78/20/981897820.db2.gz WKURHPWSKKRWEJ-UHFFFAOYSA-N 1 2 239.282 1.976 20 0 BDADLO Cc1cc[nH+]c(N)c1CN(C)Cc1nccn1C ZINC001350315600 981921244 /nfs/dbraw/zinc/92/12/44/981921244.db2.gz GITXXVYJYUUFFT-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO CCCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001194883328 981948466 /nfs/dbraw/zinc/94/84/66/981948466.db2.gz PKBOINQXGHVELW-UHFFFAOYSA-N 1 2 230.327 1.680 20 0 BDADLO CCCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001194883328 981948473 /nfs/dbraw/zinc/94/84/73/981948473.db2.gz PKBOINQXGHVELW-UHFFFAOYSA-N 1 2 230.327 1.680 20 0 BDADLO Cc1cc(NC(=O)c2c(F)cncc2F)cc[nH+]1 ZINC001586091848 981965417 /nfs/dbraw/zinc/96/54/17/981965417.db2.gz ZNEXQHGFPPFGJC-UHFFFAOYSA-N 1 2 249.220 1.737 20 0 BDADLO CN(C)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194887268 981968446 /nfs/dbraw/zinc/96/84/46/981968446.db2.gz MRNGJIBPURQPQW-UHFFFAOYSA-N 1 2 229.283 1.789 20 0 BDADLO CC(C)(C)c1cn(CCO[C@H]2CCOC2)c[nH+]1 ZINC001350877277 982109897 /nfs/dbraw/zinc/10/98/97/982109897.db2.gz WHMXGUOPBQXMDU-NSHDSACASA-N 1 2 238.331 1.986 20 0 BDADLO Cc1cc(NC[C@@H]2CCC(=O)N2)nc(C(C)C)[nH+]1 ZINC000079932767 982249636 /nfs/dbraw/zinc/24/96/36/982249636.db2.gz YNBXQJZYDGIVPX-JTQLQIEISA-N 1 2 248.330 1.599 20 0 BDADLO OCCCC1CC[NH+](Cc2nncs2)CC1 ZINC001351273337 982260539 /nfs/dbraw/zinc/26/05/39/982260539.db2.gz NJIGHEHFMZHJMS-UHFFFAOYSA-N 1 2 241.360 1.523 20 0 BDADLO Nc1cc(-c2ccnc3c2CC(=O)N3)cc[nH+]1 ZINC001241161915 982298599 /nfs/dbraw/zinc/29/85/99/982298599.db2.gz AWJDTXLOWRGTAH-UHFFFAOYSA-N 1 2 226.239 1.220 20 0 BDADLO Nc1cc(-c2cccc3c2NC(=O)C3)cc[nH+]1 ZINC001241162808 982300947 /nfs/dbraw/zinc/30/09/47/982300947.db2.gz IGTPXYKOVOSDOU-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO Nc1cc(-c2cnc(N3CCCC3)nc2)cc[nH+]1 ZINC001241162470 982301902 /nfs/dbraw/zinc/30/19/02/982301902.db2.gz KCSMIIJLDDYQAM-UHFFFAOYSA-N 1 2 241.298 1.721 20 0 BDADLO CN(C)c1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241162270 982304495 /nfs/dbraw/zinc/30/44/95/982304495.db2.gz HCYIRBJAENBVGW-UHFFFAOYSA-N 1 2 214.272 1.792 20 0 BDADLO CCOC(=O)c1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241163248 982304917 /nfs/dbraw/zinc/30/49/17/982304917.db2.gz RVQFDOJYEGIWRS-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO Nc1cc(-c2cncc3c2CC(=O)N3)cc[nH+]1 ZINC001241169683 982309920 /nfs/dbraw/zinc/30/99/20/982309920.db2.gz KRMAEHGALALGNI-UHFFFAOYSA-N 1 2 226.239 1.220 20 0 BDADLO CC(=O)Nc1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241169635 982311712 /nfs/dbraw/zinc/31/17/12/982311712.db2.gz JASIHRKSVDRSHO-UHFFFAOYSA-N 1 2 228.255 1.684 20 0 BDADLO Nc1cc(-c2ccn(CC3CC3)c(=O)c2)cc[nH+]1 ZINC001241169781 982313648 /nfs/dbraw/zinc/31/36/48/982313648.db2.gz BNEWLGGCRPJUIG-UHFFFAOYSA-N 1 2 241.294 1.903 20 0 BDADLO COC(=O)c1cnc(C)c(-c2cc[nH+]c(N)c2)c1 ZINC001241176299 982327358 /nfs/dbraw/zinc/32/73/58/982327358.db2.gz ZEPXYVJYWSDORQ-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO C[NH+]1CC(NC(=O)c2cccnc2C2CC2)C1 ZINC001195565563 982328401 /nfs/dbraw/zinc/32/84/01/982328401.db2.gz YIBATAOQDYYORT-UHFFFAOYSA-N 1 2 231.299 1.003 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2nnc[nH]2)cc1C ZINC001351643818 982350325 /nfs/dbraw/zinc/35/03/25/982350325.db2.gz WBGNAQRECUMBFJ-JTQLQIEISA-N 1 2 246.314 1.973 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001351792436 982390696 /nfs/dbraw/zinc/39/06/96/982390696.db2.gz FAXNSHIAFQXRBT-VIFPVBQESA-N 1 2 237.303 1.794 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001351792436 982390700 /nfs/dbraw/zinc/39/07/00/982390700.db2.gz FAXNSHIAFQXRBT-VIFPVBQESA-N 1 2 237.303 1.794 20 0 BDADLO CNc1cc(CNC(=O)N(C)C2CCC2)cc[nH+]1 ZINC001351801012 982392898 /nfs/dbraw/zinc/39/28/98/982392898.db2.gz XTPVKKLYGMBHQA-UHFFFAOYSA-N 1 2 248.330 1.817 20 0 BDADLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC001352243137 982498003 /nfs/dbraw/zinc/49/80/03/982498003.db2.gz MLKOHYNYVADSBX-SKDRFNHKSA-N 1 2 249.314 1.042 20 0 BDADLO CCCCCNC(=S)NCCn1cc[nH+]c1 ZINC001200045869 982533038 /nfs/dbraw/zinc/53/30/38/982533038.db2.gz XVCQWPKQWPUELQ-UHFFFAOYSA-N 1 2 240.376 1.537 20 0 BDADLO CCn1cc(C[NH2+]Cc2nncn2CC)c(C)n1 ZINC001352748968 982566453 /nfs/dbraw/zinc/56/64/53/982566453.db2.gz CUSPRVDWZHGFBT-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C(=O)[O-] ZINC001589131349 982636356 /nfs/dbraw/zinc/63/63/56/982636356.db2.gz JTBPWTFSLLLSIC-JTQLQIEISA-N 1 2 245.282 1.435 20 0 BDADLO C=C/C=C\CCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001353227612 982790837 /nfs/dbraw/zinc/79/08/37/982790837.db2.gz HNGZCZIRQWOQPM-FJOGCWAESA-N 1 2 239.315 1.383 20 0 BDADLO C=C/C=C\CCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001353227612 982790843 /nfs/dbraw/zinc/79/08/43/982790843.db2.gz HNGZCZIRQWOQPM-FJOGCWAESA-N 1 2 239.315 1.383 20 0 BDADLO CCc1nc(NCC2(C(=O)OC)CC2)cc[nH+]1 ZINC001353276844 982814574 /nfs/dbraw/zinc/81/45/74/982814574.db2.gz GHPPROFMQDYDFN-UHFFFAOYSA-N 1 2 235.287 1.404 20 0 BDADLO Cc1ccccc1-c1nc(C[NH2+]C[C@@H](C)O)no1 ZINC001353321801 982836864 /nfs/dbraw/zinc/83/68/64/982836864.db2.gz AJERMDDGSXNXGJ-SNVBAGLBSA-N 1 2 247.298 1.515 20 0 BDADLO Cc1cn2c(cccc2-c2cnc(N)nc2C)[nH+]1 ZINC001241644855 982884597 /nfs/dbraw/zinc/88/45/97/982884597.db2.gz TZRIMBBQRBLMOF-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccccc2CO)n1 ZINC001199732458 982991273 /nfs/dbraw/zinc/99/12/73/982991273.db2.gz LQYSPVVPVDVTCZ-UHFFFAOYSA-N 1 2 246.314 1.080 20 0 BDADLO CC(C)c1oncc1C(=O)NCCn1cc[nH+]c1 ZINC001199745515 983007571 /nfs/dbraw/zinc/00/75/71/983007571.db2.gz CHMFIFYHVQJRHM-UHFFFAOYSA-N 1 2 248.286 1.425 20 0 BDADLO CCc1[nH+]ccn1Cc1ccc(-c2nn[nH]n2)o1 ZINC001590926281 983014325 /nfs/dbraw/zinc/01/43/25/983014325.db2.gz OJXVSDRTJBEOCS-UHFFFAOYSA-N 1 2 244.258 1.267 20 0 BDADLO C[C@H](O)CNc1cccc(Cn2cc[nH+]c2)c1 ZINC001251964008 983036934 /nfs/dbraw/zinc/03/69/34/983036934.db2.gz FXZRNZSGHRROLK-NSHDSACASA-N 1 2 231.299 1.724 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001251982729 983065499 /nfs/dbraw/zinc/06/54/99/983065499.db2.gz GIQHIDLDBYUESB-BXUZGUMPSA-N 1 2 233.311 1.773 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001251982729 983065507 /nfs/dbraw/zinc/06/55/07/983065507.db2.gz GIQHIDLDBYUESB-BXUZGUMPSA-N 1 2 233.311 1.773 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)CC(C)(C)O1 ZINC000082426721 983069738 /nfs/dbraw/zinc/06/97/38/983069738.db2.gz ZEVWIGNQHNMJON-QMMMGPOBSA-N 1 2 222.292 1.063 20 0 BDADLO CCOC[C@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001252018400 983077108 /nfs/dbraw/zinc/07/71/08/983077108.db2.gz RJGBECXDHYZDCY-LLVKDONJSA-N 1 2 240.303 1.290 20 0 BDADLO CCOC[C@@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001252018401 983079240 /nfs/dbraw/zinc/07/92/40/983079240.db2.gz RJGBECXDHYZDCY-NSHDSACASA-N 1 2 240.303 1.290 20 0 BDADLO C[C@H](C1CC1)N(C)c1cc(N(C)C)[nH+]cn1 ZINC001354071741 983138646 /nfs/dbraw/zinc/13/86/46/983138646.db2.gz RDADPKWNOGGADK-SECBINFHSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@H](C1CC1)N(C)c1cc(N(C)C)nc[nH+]1 ZINC001354071741 983138652 /nfs/dbraw/zinc/13/86/52/983138652.db2.gz RDADPKWNOGGADK-SECBINFHSA-N 1 2 220.320 1.777 20 0 BDADLO [NH3+]Cc1cccc(-c2ccc3[nH]nnc3c2)n1 ZINC001241938623 983152183 /nfs/dbraw/zinc/15/21/83/983152183.db2.gz SCHXUUUVMDCPHZ-UHFFFAOYSA-N 1 2 225.255 1.479 20 0 BDADLO [NH3+]Cc1cccc(-c2ccc3nn[nH]c3c2)n1 ZINC001241938623 983152187 /nfs/dbraw/zinc/15/21/87/983152187.db2.gz SCHXUUUVMDCPHZ-UHFFFAOYSA-N 1 2 225.255 1.479 20 0 BDADLO COc1ccc(N)cc1Nc1ccc(N)[nH+]c1 ZINC001201285529 983161912 /nfs/dbraw/zinc/16/19/12/983161912.db2.gz KBUALYXWCHXPEN-UHFFFAOYSA-N 1 2 230.271 1.998 20 0 BDADLO CN(CCC1CCOCC1)c1cc(N)nc[nH+]1 ZINC001354129682 983168598 /nfs/dbraw/zinc/16/85/98/983168598.db2.gz JDCAFEZNBSHRCD-UHFFFAOYSA-N 1 2 236.319 1.312 20 0 BDADLO Cn1ncc2c1ncnc2Nc1ccc(N)[nH+]c1 ZINC001201272068 983170955 /nfs/dbraw/zinc/17/09/55/983170955.db2.gz HLOMKEWNSCVTJZ-UHFFFAOYSA-N 1 2 241.258 1.084 20 0 BDADLO Nc1ccc(Nc2cnc(Cl)cn2)c[nH+]1 ZINC001201272773 983172325 /nfs/dbraw/zinc/17/23/25/983172325.db2.gz UWIPYSYEBBKFHI-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO CC(=O)Nc1ccc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201271801 983172468 /nfs/dbraw/zinc/17/24/68/983172468.db2.gz DEBPVIAURGTFFE-UHFFFAOYSA-N 1 2 243.270 1.761 20 0 BDADLO COc1cccc(CO)c1Nc1ccc(N)[nH+]c1 ZINC001201292951 983173977 /nfs/dbraw/zinc/17/39/77/983173977.db2.gz VAZZTFNLTDJZSZ-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO O=C1CCc2cc(-c3[nH]cc[nH+]3)ccc2N1 ZINC001242015401 983211422 /nfs/dbraw/zinc/21/14/22/983211422.db2.gz GJHNBLFHLORTGV-UHFFFAOYSA-N 1 2 213.240 1.961 20 0 BDADLO CN(C)C(=O)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242015711 983213987 /nfs/dbraw/zinc/21/39/87/983213987.db2.gz MDKUOIFUPQZFJS-UHFFFAOYSA-N 1 2 229.283 1.707 20 0 BDADLO O=c1[nH]c(=O)c2cc(-c3[nH]cc[nH+]3)ccc2o1 ZINC001242018792 983222117 /nfs/dbraw/zinc/22/21/17/983222117.db2.gz VUPBMUWFDADQLA-UHFFFAOYSA-N 1 2 229.195 1.284 20 0 BDADLO NC(=O)c1ccc2cc(-c3[nH]cc[nH+]3)ccc2n1 ZINC001242019571 983225373 /nfs/dbraw/zinc/22/53/73/983225373.db2.gz DWVAPVKRGHQONN-UHFFFAOYSA-N 1 2 238.250 1.724 20 0 BDADLO Cc1[nH+]cc(NC(=S)NC2CC2)n1C ZINC001200619808 983259301 /nfs/dbraw/zinc/25/93/01/983259301.db2.gz QXTYDAKQCQCBMK-UHFFFAOYSA-N 1 2 210.306 1.177 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cc2nc[nH]c2cn1 ZINC001242070845 983305529 /nfs/dbraw/zinc/30/55/29/983305529.db2.gz NGCKDKGUGXAGHQ-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CCOc1ncc(F)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242073132 983310866 /nfs/dbraw/zinc/31/08/66/983310866.db2.gz YUITWSZRMWMZDF-UHFFFAOYSA-N 1 2 248.261 1.967 20 0 BDADLO CSCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001201680057 983391839 /nfs/dbraw/zinc/39/18/39/983391839.db2.gz PTCIYNNIZSMEBJ-SECBINFHSA-N 1 2 219.325 1.743 20 0 BDADLO CSCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001201680057 983391844 /nfs/dbraw/zinc/39/18/44/983391844.db2.gz PTCIYNNIZSMEBJ-SECBINFHSA-N 1 2 219.325 1.743 20 0 BDADLO CCC[N@@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001201647059 983401449 /nfs/dbraw/zinc/40/14/49/983401449.db2.gz ACKUCDONLOLCOB-UHFFFAOYSA-N 1 2 236.290 1.884 20 0 BDADLO CCC[N@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001201647059 983401455 /nfs/dbraw/zinc/40/14/55/983401455.db2.gz ACKUCDONLOLCOB-UHFFFAOYSA-N 1 2 236.290 1.884 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)[C@H](C)[C@@H](C)O1 ZINC001355281088 983460414 /nfs/dbraw/zinc/46/04/14/983460414.db2.gz VJFLSGXMXMTOAC-GMTAPVOTSA-N 1 2 246.314 1.731 20 0 BDADLO O=C(NC/C=C\Cl)N1CCn2c[nH+]cc2C1 ZINC001355372925 983482195 /nfs/dbraw/zinc/48/21/95/983482195.db2.gz HCYONBRMVAVFKU-UPHRSURJSA-N 1 2 240.694 1.161 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1c(C)cnn1C ZINC001202387923 983632018 /nfs/dbraw/zinc/63/20/18/983632018.db2.gz MQADQRZMSRYFSY-NSHDSACASA-N 1 2 247.346 1.796 20 0 BDADLO FC[C@@H]1CC[N@H+](C[C@H]2CCOC2)CC1(F)F ZINC001202465394 983677416 /nfs/dbraw/zinc/67/74/16/983677416.db2.gz RWFFMTRQVMJFQL-ZJUUUORDSA-N 1 2 237.265 1.950 20 0 BDADLO FC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(F)F ZINC001202465394 983677419 /nfs/dbraw/zinc/67/74/19/983677419.db2.gz RWFFMTRQVMJFQL-ZJUUUORDSA-N 1 2 237.265 1.950 20 0 BDADLO COC(=O)[C@@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001252426226 983762434 /nfs/dbraw/zinc/76/24/34/983762434.db2.gz RYWMRXQBCZSYQE-LBPRGKRZSA-N 1 2 246.266 1.181 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CN1CCC1=O ZINC000857234094 983798845 /nfs/dbraw/zinc/79/88/45/983798845.db2.gz GKINMNNTCUWIHN-GFCCVEGCSA-N 1 2 248.330 1.055 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CN1CCC1=O ZINC000857234094 983798853 /nfs/dbraw/zinc/79/88/53/983798853.db2.gz GKINMNNTCUWIHN-GFCCVEGCSA-N 1 2 248.330 1.055 20 0 BDADLO COc1cccc(C[NH+]2CC3(CC(O)C3)C2)n1 ZINC001137528882 983800037 /nfs/dbraw/zinc/80/00/37/983800037.db2.gz VIXADJBPOKJRKW-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO COC(=O)[C@]1([NH2+][C@@H]2CC[C@H](C)C2)CCOC1 ZINC000339060797 983851998 /nfs/dbraw/zinc/85/19/98/983851998.db2.gz RMGDHFXNWUYGBX-UMNHJUIQSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@]1([NH2+][C@H]2CC[C@H](C)C2)CCOC1 ZINC000339060795 983852306 /nfs/dbraw/zinc/85/23/06/983852306.db2.gz RMGDHFXNWUYGBX-NHCYSSNCSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@]1([NH2+][C@H]2CC[C@@H](C)C2)CCOC1 ZINC000339060796 983852807 /nfs/dbraw/zinc/85/28/07/983852807.db2.gz RMGDHFXNWUYGBX-SCVCMEIPSA-N 1 2 227.304 1.097 20 0 BDADLO COC[C@@H](C)OC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000866503219 983857291 /nfs/dbraw/zinc/85/72/91/983857291.db2.gz OYVKBCQKHZYPGC-NXEZZACHSA-N 1 2 241.291 1.033 20 0 BDADLO CCNC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001202535683 983894184 /nfs/dbraw/zinc/89/41/84/983894184.db2.gz IDUQUWWEXYBAQH-UHFFFAOYSA-N 1 2 218.260 1.784 20 0 BDADLO CC(C)NC(=O)NCc1c[nH+]cn1CCF ZINC001202535834 983894307 /nfs/dbraw/zinc/89/43/07/983894307.db2.gz HSAVJDQNXNNIOM-UHFFFAOYSA-N 1 2 228.271 1.060 20 0 BDADLO CC[C@H]1CCC[C@@H]([NH2+]Cc2nnc(CO)[nH]2)C1 ZINC001560626556 983944543 /nfs/dbraw/zinc/94/45/43/983944543.db2.gz RTCJSKCLYOMOFG-VHSXEESVSA-N 1 2 238.335 1.355 20 0 BDADLO CC(=O)c1cc(-c2ccc[nH+]c2N)ccn1 ZINC001242608551 983966751 /nfs/dbraw/zinc/96/67/51/983966751.db2.gz IELPYRHTXKSEPT-UHFFFAOYSA-N 1 2 213.240 1.928 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1[nH]nc2c1cccc2C ZINC001137141690 983967682 /nfs/dbraw/zinc/96/76/82/983967682.db2.gz FGPBVLPCFMPQPL-UHFFFAOYSA-N 1 2 231.299 1.892 20 0 BDADLO CC(=O)C[N@H+](C)Cc1[nH]nc2c1cccc2C ZINC001137141690 983967694 /nfs/dbraw/zinc/96/76/94/983967694.db2.gz FGPBVLPCFMPQPL-UHFFFAOYSA-N 1 2 231.299 1.892 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(=O)[nH]c1C ZINC001137140174 983968328 /nfs/dbraw/zinc/96/83/28/983968328.db2.gz OTONHIVMXSEUIZ-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO Cc1cccc2c(C[N@@H+]3C[C@@H]4C[C@H]3CO4)[nH]nc21 ZINC001137147679 983974281 /nfs/dbraw/zinc/97/42/81/983974281.db2.gz ADUDYLYOZSAENC-QWRGUYRKSA-N 1 2 243.310 1.844 20 0 BDADLO Cc1cccc2c(C[N@H+]3C[C@@H]4C[C@H]3CO4)[nH]nc21 ZINC001137147679 983974301 /nfs/dbraw/zinc/97/43/01/983974301.db2.gz ADUDYLYOZSAENC-QWRGUYRKSA-N 1 2 243.310 1.844 20 0 BDADLO Cc1cccc2c(C[N@@H+](C)C3COC3)[nH]nc21 ZINC001137148081 983976290 /nfs/dbraw/zinc/97/62/90/983976290.db2.gz RDNNHFBGTVTBDC-UHFFFAOYSA-N 1 2 231.299 1.702 20 0 BDADLO Cc1cccc2c(C[N@H+](C)C3COC3)[nH]nc21 ZINC001137148081 983976305 /nfs/dbraw/zinc/97/63/05/983976305.db2.gz RDNNHFBGTVTBDC-UHFFFAOYSA-N 1 2 231.299 1.702 20 0 BDADLO CN(C)c1ccc(Nc2cccc(=O)[nH]2)c[nH+]1 ZINC001212786295 984012342 /nfs/dbraw/zinc/01/23/42/984012342.db2.gz NZUZDGJQZHVVNX-UHFFFAOYSA-N 1 2 230.271 1.992 20 0 BDADLO CCNC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001202557249 984054297 /nfs/dbraw/zinc/05/42/97/984054297.db2.gz BLZNUBGXKCYYEB-UHFFFAOYSA-N 1 2 218.260 1.153 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717398389 984188367 /nfs/dbraw/zinc/18/83/67/984188367.db2.gz VJNWLWYDJVGMQU-LLVKDONJSA-N 1 2 223.320 1.623 20 0 BDADLO Cc1ccc(NC(=O)NC2C[NH+](C)C2)c(C)c1 ZINC001202751306 984214061 /nfs/dbraw/zinc/21/40/61/984214061.db2.gz KIZJFBMHMOYYOU-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccncn2)cc1 ZINC001242917554 984289440 /nfs/dbraw/zinc/28/94/40/984289440.db2.gz AYKJYMIZMYNRDD-LBPRGKRZSA-N 1 2 243.266 1.316 20 0 BDADLO CC(C)c1oncc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274360459 984334563 /nfs/dbraw/zinc/33/45/63/984334563.db2.gz GHXVEOPDQMDGRQ-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CC(C)c1oncc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274360459 984334568 /nfs/dbraw/zinc/33/45/68/984334568.db2.gz GHXVEOPDQMDGRQ-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2C[C@@H]3C[C@H]2CO3)c1 ZINC000718271691 984415664 /nfs/dbraw/zinc/41/56/64/984415664.db2.gz QLFHTBFIBDXUKK-YUMQZZPRSA-N 1 2 225.679 1.295 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCc1cccc(Cl)c1 ZINC001440711754 984434353 /nfs/dbraw/zinc/43/43/53/984434353.db2.gz DADIOBXBEHWXMP-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO Cc1nc2ccc(-c3c[nH+]cn3C)cc2c(=O)o1 ZINC001243067740 984483604 /nfs/dbraw/zinc/48/36/04/984483604.db2.gz OTWBCJMLTPGPJY-UHFFFAOYSA-N 1 2 241.250 1.897 20 0 BDADLO Cn1cncc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001243067254 984483930 /nfs/dbraw/zinc/48/39/30/984483930.db2.gz SNHHKOCDXGODMF-UHFFFAOYSA-N 1 2 225.255 1.668 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(=O)NCC2 ZINC001243069067 984486768 /nfs/dbraw/zinc/48/67/68/984486768.db2.gz ONVXQGGCNAMPGE-UHFFFAOYSA-N 1 2 227.267 1.373 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(N2CCC2=O)c1 ZINC001243070690 984493641 /nfs/dbraw/zinc/49/36/41/984493641.db2.gz KGCZMYFNQVROOD-UHFFFAOYSA-N 1 2 227.267 1.824 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NCc1cnc(C)s1 ZINC001442353711 984499375 /nfs/dbraw/zinc/49/93/75/984499375.db2.gz QEISCNHAXPEGJH-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NCc1cnc(C)s1 ZINC001442353711 984499399 /nfs/dbraw/zinc/49/93/99/984499399.db2.gz QEISCNHAXPEGJH-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO COC(=O)Cc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243071683 984500409 /nfs/dbraw/zinc/50/04/09/984500409.db2.gz XPTWRZBPXCCNHG-UHFFFAOYSA-N 1 2 231.255 1.198 20 0 BDADLO Cn1c[nH+]cc1-c1ccccc1N1CCOCC1 ZINC001243071731 984502008 /nfs/dbraw/zinc/50/20/08/984502008.db2.gz ZKQGHWYRGWBZKB-UHFFFAOYSA-N 1 2 243.310 1.924 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(O)cc1C ZINC001446467388 984652911 /nfs/dbraw/zinc/65/29/11/984652911.db2.gz QYKWTSAAPNVATB-LBPRGKRZSA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(O)cc1C ZINC001446467388 984652925 /nfs/dbraw/zinc/65/29/25/984652925.db2.gz QYKWTSAAPNVATB-LBPRGKRZSA-N 1 2 234.299 1.733 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1(C(F)(F)F)CC1 ZINC001449765738 984845633 /nfs/dbraw/zinc/84/56/33/984845633.db2.gz CRVSDJREJTUXIV-UHFFFAOYSA-N 1 2 247.220 1.553 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1(C(F)(F)F)CC1 ZINC001449765738 984845635 /nfs/dbraw/zinc/84/56/35/984845635.db2.gz CRVSDJREJTUXIV-UHFFFAOYSA-N 1 2 247.220 1.553 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](F)C1 ZINC001449891756 984849185 /nfs/dbraw/zinc/84/91/85/984849185.db2.gz NHRQSURXXCECOQ-ZJUUUORDSA-N 1 2 237.278 1.016 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]1C1CC1 ZINC001449995377 984856902 /nfs/dbraw/zinc/85/69/02/984856902.db2.gz AHZMYJGUABUQQQ-NEPJUHHUSA-N 1 2 245.326 1.456 20 0 BDADLO CCC[C@H](C)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001257308877 984882178 /nfs/dbraw/zinc/88/21/78/984882178.db2.gz KYSYPRVRGJBQIM-IVZWLZJFSA-N 1 2 217.309 1.077 20 0 BDADLO CCc1[nH]c(CNC(=O)c2occc2N)c[nH+]1 ZINC001578292710 984939384 /nfs/dbraw/zinc/93/93/84/984939384.db2.gz AINUDSKEJFRNJM-UHFFFAOYSA-N 1 2 234.259 1.077 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2occc2N)[nH+]1 ZINC001578292710 984939400 /nfs/dbraw/zinc/93/94/00/984939400.db2.gz AINUDSKEJFRNJM-UHFFFAOYSA-N 1 2 234.259 1.077 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1ccc(N)nn1 ZINC001578333132 984973655 /nfs/dbraw/zinc/97/36/55/984973655.db2.gz PLACEWJHIBLKBV-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2nc(F)ccc21 ZINC001454157218 985023054 /nfs/dbraw/zinc/02/30/54/985023054.db2.gz IEPYCJKSILABAP-NSHDSACASA-N 1 2 249.289 1.204 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CCc2nc(F)ccc21 ZINC001454157218 985023068 /nfs/dbraw/zinc/02/30/68/985023068.db2.gz IEPYCJKSILABAP-NSHDSACASA-N 1 2 249.289 1.204 20 0 BDADLO COC(=O)c1cc(C)c(-c2ccc[nH+]c2N)cn1 ZINC001243474530 985028834 /nfs/dbraw/zinc/02/88/34/985028834.db2.gz NHZNNXQKLMJXJX-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO COC(=O)Cc1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243474488 985029600 /nfs/dbraw/zinc/02/96/00/985029600.db2.gz XXCGODYBLRFFDM-UHFFFAOYSA-N 1 2 243.266 1.441 20 0 BDADLO Cc1cnc2ncc(-c3ccc[nH+]c3N)cc2n1 ZINC001243475400 985030601 /nfs/dbraw/zinc/03/06/01/985030601.db2.gz YINPFTLGBZBMRK-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)[C@@H]1CC13CC3)CC2 ZINC001454533382 985038788 /nfs/dbraw/zinc/03/87/88/985038788.db2.gz FYYGAGHNJSSEEI-NSHDSACASA-N 1 2 243.310 1.349 20 0 BDADLO C[C@H](O)c1ccc(NCCc2cn(C)c[nH+]2)nc1 ZINC000686075809 985052994 /nfs/dbraw/zinc/05/29/94/985052994.db2.gz FZHYDTYOHQFVLH-JTQLQIEISA-N 1 2 246.314 1.523 20 0 BDADLO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@@H](C)O)[nH+]c1C ZINC001455769498 985092599 /nfs/dbraw/zinc/09/25/99/985092599.db2.gz KMBNKSHWGWAXOM-ZJUUUORDSA-N 1 2 237.303 1.071 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@H]2C=CCC2)c[nH+]1 ZINC001456141271 985114020 /nfs/dbraw/zinc/11/40/20/985114020.db2.gz HDLZEHIPACIBKM-JTQLQIEISA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@H]2C=CCC2)[nH+]1 ZINC001456141271 985114026 /nfs/dbraw/zinc/11/40/26/985114026.db2.gz HDLZEHIPACIBKM-JTQLQIEISA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccn(CC)n2)c[nH+]1 ZINC001456146293 985119597 /nfs/dbraw/zinc/11/95/97/985119597.db2.gz VUGMIBWNNOYPFT-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccn(CC)n2)[nH+]1 ZINC001456146293 985119600 /nfs/dbraw/zinc/11/96/00/985119600.db2.gz VUGMIBWNNOYPFT-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)[C@H]1C[C@@H]1F ZINC001456245278 985131287 /nfs/dbraw/zinc/13/12/87/985131287.db2.gz WENQHFIPWRHSNE-YUMQZZPRSA-N 1 2 237.278 1.263 20 0 BDADLO CCCCC[C@@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257508962 985141136 /nfs/dbraw/zinc/14/11/36/985141136.db2.gz MQFHEQIJIDJJEA-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO CCC[N@H+](CCC(OC)OC)CC(F)F ZINC000686610821 985159487 /nfs/dbraw/zinc/15/94/87/985159487.db2.gz LJBQKXJNDVLSPY-UHFFFAOYSA-N 1 2 225.279 1.973 20 0 BDADLO CCC[N@@H+](CCC(OC)OC)CC(F)F ZINC000686610821 985159492 /nfs/dbraw/zinc/15/94/92/985159492.db2.gz LJBQKXJNDVLSPY-UHFFFAOYSA-N 1 2 225.279 1.973 20 0 BDADLO COC(CC[N@H+](CC(F)F)C(C)C)OC ZINC000686611322 985160707 /nfs/dbraw/zinc/16/07/07/985160707.db2.gz WRCVAMUCNFIASP-UHFFFAOYSA-N 1 2 225.279 1.971 20 0 BDADLO COC(CC[N@@H+](CC(F)F)C(C)C)OC ZINC000686611322 985160713 /nfs/dbraw/zinc/16/07/13/985160713.db2.gz WRCVAMUCNFIASP-UHFFFAOYSA-N 1 2 225.279 1.971 20 0 BDADLO CN(C)c1ccc(Nc2cnc(F)cn2)c[nH+]1 ZINC001458086870 985262290 /nfs/dbraw/zinc/26/22/90/985262290.db2.gz QVJCGAQDBLMLQK-UHFFFAOYSA-N 1 2 233.250 1.820 20 0 BDADLO Nc1cn2ccc(-c3cccc(=O)[nH]3)cc2[nH+]1 ZINC001243738221 985280799 /nfs/dbraw/zinc/28/07/99/985280799.db2.gz WENRYDYXJUZVMP-UHFFFAOYSA-N 1 2 226.239 1.684 20 0 BDADLO COC(=O)C1CCC([NH+]2C[C@@H](F)[C@H](F)C2)CC1 ZINC001257859863 985285054 /nfs/dbraw/zinc/28/50/54/985285054.db2.gz DWWPHNOZTNUAPA-JPPWEJMLSA-N 1 2 247.285 1.710 20 0 BDADLO CCc1cn(CC(=O)N2CCCCC2)c[nH+]1 ZINC001459259126 985418129 /nfs/dbraw/zinc/41/81/29/985418129.db2.gz HDZFNJDZBZNEDS-UHFFFAOYSA-N 1 2 221.304 1.458 20 0 BDADLO CCc1cn(Cc2cnc(Cl)cn2)c[nH+]1 ZINC001459261529 985418495 /nfs/dbraw/zinc/41/84/95/985418495.db2.gz NCHOMOOLMSDSEP-UHFFFAOYSA-N 1 2 222.679 1.937 20 0 BDADLO CN(C)C(=O)c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243946916 985620121 /nfs/dbraw/zinc/62/01/21/985620121.db2.gz BDQJYJPTPWABBM-UHFFFAOYSA-N 1 2 231.299 1.508 20 0 BDADLO CCOc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243947311 985621198 /nfs/dbraw/zinc/62/11/98/985621198.db2.gz JBGDRKXKGJXFLR-UHFFFAOYSA-N 1 2 205.261 1.600 20 0 BDADLO c1cc2c(cn1)ncnc2C1=C[NH2+]CCC1 ZINC001243946974 985623456 /nfs/dbraw/zinc/62/34/56/985623456.db2.gz BCJNJGRFQRSIJX-UHFFFAOYSA-N 1 2 212.256 1.749 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC001459871627 985643297 /nfs/dbraw/zinc/64/32/97/985643297.db2.gz DUJZEWYRBZDPIT-GUBZILKMSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC001459871627 985643310 /nfs/dbraw/zinc/64/33/10/985643310.db2.gz DUJZEWYRBZDPIT-GUBZILKMSA-N 1 2 238.335 1.131 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@H]2C=CCC2)c1 ZINC001460735858 985886053 /nfs/dbraw/zinc/88/60/53/985886053.db2.gz OBBGTJHSMXVPOO-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO CN(c1ccc(CCO)cc1)c1[nH+]cccc1N ZINC001212925788 985925427 /nfs/dbraw/zinc/92/54/27/985925427.db2.gz RZFCNUWMZUDPRU-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO O=c1[nH]c2cc(C[NH2+]Cc3c[nH]cn3)ccc2o1 ZINC001461737059 986136441 /nfs/dbraw/zinc/13/64/41/986136441.db2.gz SQUOIHWMDWVYNJ-UHFFFAOYSA-N 1 2 244.254 1.546 20 0 BDADLO C[C@H]1CCC[C@H]([NH2+]Cc2nnc(CO)[nH]2)CC1 ZINC001461840319 986188206 /nfs/dbraw/zinc/18/82/06/986188206.db2.gz CLRAHSRGZRSOKW-UWVGGRQHSA-N 1 2 238.335 1.355 20 0 BDADLO CCCn1c[nH+]cc1CN1C[C@@H](C)OC[C@@H]1C ZINC001461887789 986220347 /nfs/dbraw/zinc/22/03/47/986220347.db2.gz KPJVTXKGJYHISB-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1c[nH+]cc1CN(C)Cc1ccon1 ZINC001461900413 986226895 /nfs/dbraw/zinc/22/68/95/986226895.db2.gz JNFTUIOLKCICST-UHFFFAOYSA-N 1 2 234.303 1.913 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C1CCC1 ZINC001038008031 986248082 /nfs/dbraw/zinc/24/80/82/986248082.db2.gz WFAORPQAUPLTAJ-NEPJUHHUSA-N 1 2 242.338 1.725 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)C1CCC1 ZINC001038008031 986248092 /nfs/dbraw/zinc/24/80/92/986248092.db2.gz WFAORPQAUPLTAJ-NEPJUHHUSA-N 1 2 242.338 1.725 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2coc(C)c2)C1 ZINC001042656628 986330732 /nfs/dbraw/zinc/33/07/32/986330732.db2.gz PBEWQFHEKAYRCN-UHFFFAOYSA-N 1 2 222.288 1.364 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(O)c(CO)c1 ZINC001244773403 986333709 /nfs/dbraw/zinc/33/37/09/986333709.db2.gz HSAICOVCKKTAHH-UHFFFAOYSA-N 1 2 216.240 1.529 20 0 BDADLO C[C@H](O)c1cc[nH+]c(NC[C@H](O)C(C)(C)C)c1 ZINC001253719795 986335980 /nfs/dbraw/zinc/33/59/80/986335980.db2.gz GJZQJYQDEKROJR-ONGXEEELSA-N 1 2 238.331 1.954 20 0 BDADLO Nc1ccc(-c2ccc(O)c(CO)c2)c[nH+]1 ZINC001244776885 986339931 /nfs/dbraw/zinc/33/99/31/986339931.db2.gz MAVIEUNRYCWRAD-UHFFFAOYSA-N 1 2 216.240 1.529 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001253758262 986384718 /nfs/dbraw/zinc/38/47/18/986384718.db2.gz WXKWOXQRHAUSGU-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001253758262 986384725 /nfs/dbraw/zinc/38/47/25/986384725.db2.gz WXKWOXQRHAUSGU-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)C[NH2+]CC(F)(F)c1ccccn1 ZINC001253782162 986419858 /nfs/dbraw/zinc/41/98/58/986419858.db2.gz GXQCYOKWQWPRRO-JTQLQIEISA-N 1 2 244.285 1.780 20 0 BDADLO CCC[C@@H]([NH2+]C[C@]1(C)CCCCO1)C(=O)OC ZINC001462616295 986454919 /nfs/dbraw/zinc/45/49/19/986454919.db2.gz IQCGCNLYADXCIE-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@]1(C)CCCCO1)C(=O)OC ZINC001462616293 986459938 /nfs/dbraw/zinc/45/99/38/986459938.db2.gz IQCGCNLYADXCIE-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)C(F)F ZINC001580119501 986580720 /nfs/dbraw/zinc/58/07/20/986580720.db2.gz TYNZDLBUWLFSPR-XAVMHZPKSA-N 1 2 232.274 1.274 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@H](F)C1 ZINC000689415237 986592604 /nfs/dbraw/zinc/59/26/04/986592604.db2.gz SQJHHPISGPKXDN-RWCYGVJQSA-N 1 2 215.268 1.540 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@H](F)C1 ZINC000689415237 986592611 /nfs/dbraw/zinc/59/26/11/986592611.db2.gz SQJHHPISGPKXDN-RWCYGVJQSA-N 1 2 215.268 1.540 20 0 BDADLO Cc1nc(N[C@@H](C)CNC(=O)C2CC2)cc[nH+]1 ZINC001097668386 986631422 /nfs/dbraw/zinc/63/14/22/986631422.db2.gz NWFTXIILNJSMHP-QMMMGPOBSA-N 1 2 234.303 1.112 20 0 BDADLO Cc1c(CN2CCO[C@H]3C[C@H]32)[nH+]c2ccccn12 ZINC001137274456 986706953 /nfs/dbraw/zinc/70/69/53/986706953.db2.gz VRDNWOAVQJPJLF-OLZOCXBDSA-N 1 2 243.310 1.616 20 0 BDADLO Cc1[nH]c(CNC(=O)CCCCCO)[nH+]c1C ZINC001465749162 986737564 /nfs/dbraw/zinc/73/75/64/986737564.db2.gz NURDLOZUPCPGNU-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO Cc1conc1NC(=O)NCc1ccc[nH+]c1N ZINC001465967289 986757002 /nfs/dbraw/zinc/75/70/02/986757002.db2.gz WOBZVDWERFUDDZ-UHFFFAOYSA-N 1 2 247.258 1.282 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1[nH]c(C)cc1C ZINC001137332359 986797278 /nfs/dbraw/zinc/79/72/78/986797278.db2.gz QXPJWQDTWIWXCY-GFCCVEGCSA-N 1 2 238.331 1.479 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1[nH]c(C)cc1C ZINC001137332359 986797291 /nfs/dbraw/zinc/79/72/91/986797291.db2.gz QXPJWQDTWIWXCY-GFCCVEGCSA-N 1 2 238.331 1.479 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC(F)(F)C1 ZINC001466784389 986824433 /nfs/dbraw/zinc/82/44/33/986824433.db2.gz FSHQFHWCUHOSBQ-UHFFFAOYSA-N 1 2 229.230 1.141 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)OCC(=O)N2 ZINC001245454074 986852604 /nfs/dbraw/zinc/85/26/04/986852604.db2.gz KJJPVRRXXALNHF-YGQDEOHPSA-N 1 2 230.267 1.893 20 0 BDADLO Nc1ncc(C[NH2+][C@H]2CCn3ccnc32)s1 ZINC001580472752 986869036 /nfs/dbraw/zinc/86/90/36/986869036.db2.gz YNCIPSUVMTUNJR-QMMMGPOBSA-N 1 2 235.316 1.156 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(O)cc1 ZINC001137387194 986869641 /nfs/dbraw/zinc/86/96/41/986869641.db2.gz ZAVFXULBOJORED-SECBINFHSA-N 1 2 245.282 1.933 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(O)cc1 ZINC001137387194 986869643 /nfs/dbraw/zinc/86/96/43/986869643.db2.gz ZAVFXULBOJORED-SECBINFHSA-N 1 2 245.282 1.933 20 0 BDADLO c1[nH]c2ncccc2c1C[NH+]1CC2(CCO2)C1 ZINC001137403472 986880201 /nfs/dbraw/zinc/88/02/01/986880201.db2.gz OQZFMRXYBBYLQX-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccnc(C)c2)C[C@@H]1F ZINC001137408417 986883544 /nfs/dbraw/zinc/88/35/44/986883544.db2.gz GJIBPRYNSCIAST-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccnc(C)c2)C[C@@H]1F ZINC001137408417 986883550 /nfs/dbraw/zinc/88/35/50/986883550.db2.gz GJIBPRYNSCIAST-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2ncccc12 ZINC001137407366 986885062 /nfs/dbraw/zinc/88/50/62/986885062.db2.gz MBXQBKDJIDEWSN-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2ncccc12 ZINC001137407366 986885067 /nfs/dbraw/zinc/88/50/67/986885067.db2.gz MBXQBKDJIDEWSN-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO Cc1cc(-c2cnc3c(c2)CC(=O)N3)c[nH+]c1N ZINC001245536320 986913045 /nfs/dbraw/zinc/91/30/45/986913045.db2.gz IFJKTVKKALXNKQ-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(F)F ZINC001468857720 986945002 /nfs/dbraw/zinc/94/50/02/986945002.db2.gz QANGZQRNSWDGIU-SFYZADRCSA-N 1 2 243.257 1.215 20 0 BDADLO Nc1cc(-c2cnc(N)c(Cl)c2)cc[nH+]1 ZINC001245564806 986962877 /nfs/dbraw/zinc/96/28/77/986962877.db2.gz BSLATHBMHAECTB-UHFFFAOYSA-N 1 2 220.663 1.961 20 0 BDADLO CCCONC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001469425852 986979054 /nfs/dbraw/zinc/97/90/54/986979054.db2.gz KFGOBBHHRDVMQT-UHFFFAOYSA-N 1 2 245.282 1.944 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)Nn3cccn3)ccn12 ZINC001470108325 987020545 /nfs/dbraw/zinc/02/05/45/987020545.db2.gz ASWOLWXTBFYLRY-UHFFFAOYSA-N 1 2 241.254 1.223 20 0 BDADLO CO[C@H]1C[N@@H+]([C@@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646593 987039712 /nfs/dbraw/zinc/03/97/12/987039712.db2.gz PGYYFJFLXYZYJO-FXQIFTODSA-N 1 2 229.217 1.996 20 0 BDADLO CO[C@H]1C[N@H+]([C@@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646593 987039727 /nfs/dbraw/zinc/03/97/27/987039727.db2.gz PGYYFJFLXYZYJO-FXQIFTODSA-N 1 2 229.217 1.996 20 0 BDADLO c1nnc2ccc(-c3cc[nH+]c4c3CCN4)cn12 ZINC001245665664 987055258 /nfs/dbraw/zinc/05/52/58/987055258.db2.gz OYYYASSUBFSMTR-UHFFFAOYSA-N 1 2 237.266 1.759 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(O)cc1O ZINC001471638045 987099709 /nfs/dbraw/zinc/09/97/09/987099709.db2.gz NXFIDGKKNNBGAG-UHFFFAOYSA-N 1 2 247.254 1.311 20 0 BDADLO CC(C)CN1N=C(C2CC[NH2+]CC2)CC1=O ZINC001245917064 987150115 /nfs/dbraw/zinc/15/01/15/987150115.db2.gz DRWBRTCUSWBXQG-UHFFFAOYSA-N 1 2 223.320 1.712 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CCSC2)c[nH+]1 ZINC001472019084 987162470 /nfs/dbraw/zinc/16/24/70/987162470.db2.gz SMHYHJHJBLWHPV-MRVPVSSYSA-N 1 2 239.344 1.341 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CCSC2)[nH+]1 ZINC001472019084 987162477 /nfs/dbraw/zinc/16/24/77/987162477.db2.gz SMHYHJHJBLWHPV-MRVPVSSYSA-N 1 2 239.344 1.341 20 0 BDADLO CCc1[nH]c(CNC(=O)C=Cc2ccco2)c[nH+]1 ZINC001472019307 987163078 /nfs/dbraw/zinc/16/30/78/987163078.db2.gz YMRBGKHFOPTZQD-AATRIKPKSA-N 1 2 245.282 1.895 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=Cc2ccco2)[nH+]1 ZINC001472019307 987163083 /nfs/dbraw/zinc/16/30/83/987163083.db2.gz YMRBGKHFOPTZQD-AATRIKPKSA-N 1 2 245.282 1.895 20 0 BDADLO C[C@@H](c1ccccc1)n1[nH]c(C[NH3+])cc1=O ZINC001245922306 987164866 /nfs/dbraw/zinc/16/48/66/987164866.db2.gz BRDSSVXQRCRJKJ-VIFPVBQESA-N 1 2 217.272 1.657 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1Cc1cccc(F)c1 ZINC001245926559 987179260 /nfs/dbraw/zinc/17/92/60/987179260.db2.gz CCDSQUJLZPPVCV-UHFFFAOYSA-N 1 2 247.273 1.463 20 0 BDADLO C[C@@H](c1ccccc1)n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245926529 987180691 /nfs/dbraw/zinc/18/06/91/987180691.db2.gz BWFSUBPCPSMREP-JTQLQIEISA-N 1 2 243.310 1.885 20 0 BDADLO C[NH+](C)CCn1[nH]c(CC(F)(F)F)cc1=O ZINC001245951934 987236661 /nfs/dbraw/zinc/23/66/61/987236661.db2.gz HSEOGXXCQVFHDR-UHFFFAOYSA-N 1 2 237.225 1.255 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(CCc2c[nH]c[nH+]2)o1 ZINC001256649205 987266481 /nfs/dbraw/zinc/26/64/81/987266481.db2.gz WHPUJFBKPTUSKJ-VXNVDRBHSA-N 1 2 218.260 1.701 20 0 BDADLO CCc1cc(N2CC[C@H](CO)[C@H]2C)nc(CC)[nH+]1 ZINC001472770740 987278547 /nfs/dbraw/zinc/27/85/47/987278547.db2.gz SXNPSPSZJGYKQD-GHMZBOCLSA-N 1 2 249.358 1.809 20 0 BDADLO c1ccc2c(C[NH2+]C[C@H]3COCCO3)n[nH]c2c1 ZINC000694007410 987317920 /nfs/dbraw/zinc/31/79/20/987317920.db2.gz ZBENWTHWFNDHBD-JTQLQIEISA-N 1 2 247.298 1.068 20 0 BDADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000694028674 987318936 /nfs/dbraw/zinc/31/89/36/987318936.db2.gz HQIRYLSFDOKDJP-RNCFNFMXSA-N 1 2 231.299 1.687 20 0 BDADLO Cc1c(F)ncnc1NCCCn1cc[nH+]c1 ZINC000696415716 987340905 /nfs/dbraw/zinc/34/09/05/987340905.db2.gz ILXBHYWXLRWUBG-UHFFFAOYSA-N 1 2 235.266 1.623 20 0 BDADLO Fc1c[nH+]ccc1N1CCCC2(C1)OCCO2 ZINC000699611312 987376981 /nfs/dbraw/zinc/37/69/81/987376981.db2.gz QLLDUBGTVXFARO-UHFFFAOYSA-N 1 2 238.262 1.564 20 0 BDADLO CC[C@@H](O)CCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116205051 987476469 /nfs/dbraw/zinc/47/64/69/987476469.db2.gz MMFNTPWNJOOZLP-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC001473554906 987482604 /nfs/dbraw/zinc/48/26/04/987482604.db2.gz QKCXOSWUBHRURV-XHNCKOQMSA-N 1 2 227.333 1.302 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC001473554906 987482612 /nfs/dbraw/zinc/48/26/12/987482612.db2.gz QKCXOSWUBHRURV-XHNCKOQMSA-N 1 2 227.333 1.302 20 0 BDADLO CC(C)N(CC(F)F)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116309911 987514687 /nfs/dbraw/zinc/51/46/87/987514687.db2.gz YIMWSIRNNKSFAB-SECBINFHSA-N 1 2 245.273 1.946 20 0 BDADLO Cc1cc(C[N@@H+]2CCCOC(C)(C)C2)n[nH]1 ZINC001116445206 987582155 /nfs/dbraw/zinc/58/21/55/987582155.db2.gz QBPWTSXEIWQXIB-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCCOC(C)(C)C2)n[nH]1 ZINC001116445206 987582162 /nfs/dbraw/zinc/58/21/62/987582162.db2.gz QBPWTSXEIWQXIB-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cccnc1[C@H](C)[NH2+]Cc1nncn1C ZINC001473880104 987604127 /nfs/dbraw/zinc/60/41/27/987604127.db2.gz RJTOUDOLHLFRAM-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cnc(NC(=O)c2cccc3[nH+]ccn32)o1 ZINC001116495460 987605459 /nfs/dbraw/zinc/60/54/59/987605459.db2.gz WRMMDLRACOJQPG-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CSCC[C@@H]([NH2+][C@H]1CCCNC1)C(C)(C)O ZINC001246217924 987617495 /nfs/dbraw/zinc/61/74/95/987617495.db2.gz NGKXAKOOLRECFL-WDEREUQCSA-N 1 2 246.420 1.221 20 0 BDADLO CSCC[C@@H](N[C@H]1CCC[NH2+]C1)C(C)(C)O ZINC001246217924 987617501 /nfs/dbraw/zinc/61/75/01/987617501.db2.gz NGKXAKOOLRECFL-WDEREUQCSA-N 1 2 246.420 1.221 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2nncn2C)cn1 ZINC001116557656 987628473 /nfs/dbraw/zinc/62/84/73/987628473.db2.gz STIYOMUSPSMDQB-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CN(C)c1ccc(NCc2cc[nH]c(=O)c2)[nH+]c1 ZINC001474053122 987636928 /nfs/dbraw/zinc/63/69/28/987636928.db2.gz IYAJCPKIKSZVMS-UHFFFAOYSA-N 1 2 244.298 1.860 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@H](O)C2)c(F)c1F ZINC001474329461 987692151 /nfs/dbraw/zinc/69/21/51/987692151.db2.gz NAZZGCMMQRXBMS-QMMMGPOBSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@H](O)C2)c(F)c1F ZINC001474329461 987692155 /nfs/dbraw/zinc/69/21/55/987692155.db2.gz NAZZGCMMQRXBMS-QMMMGPOBSA-N 1 2 229.226 1.237 20 0 BDADLO CCCn1c[nH+]cc1CN1CCO[C@H](CC)C1 ZINC001474413591 987714718 /nfs/dbraw/zinc/71/47/18/987714718.db2.gz PWBAQCJDBWRUNW-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001116868832 987740378 /nfs/dbraw/zinc/74/03/78/987740378.db2.gz PFMXZZCHSIGKNU-UHFFFAOYSA-N 1 2 247.302 1.331 20 0 BDADLO Cc1cc(C[NH2+][C@H](c2nncn2C)C(C)C)[nH]n1 ZINC001117110791 987784511 /nfs/dbraw/zinc/78/45/11/987784511.db2.gz WKXSWMCVAFBHEX-NSHDSACASA-N 1 2 248.334 1.334 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC001117260880 987813203 /nfs/dbraw/zinc/81/32/03/987813203.db2.gz ZNOUHVFSTDFCJD-MBTKJCJQSA-N 1 2 207.277 1.645 20 0 BDADLO C[C@@H](CC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC001117652166 987855281 /nfs/dbraw/zinc/85/52/81/987855281.db2.gz ZJZOVODITRBRKJ-JTQLQIEISA-N 1 2 233.315 1.662 20 0 BDADLO CC[C@](C)(CNC(=O)[C@@H](C)n1cc[nH+]c1)OC ZINC001117796329 987920844 /nfs/dbraw/zinc/92/08/44/987920844.db2.gz HHCPJHMSVJMNKH-ZYHUDNBSSA-N 1 2 239.319 1.375 20 0 BDADLO CC(C)[C@H](F)C(=O)NC1C[NH+](CC[C@@H](C)F)C1 ZINC001494432274 988141514 /nfs/dbraw/zinc/14/15/14/988141514.db2.gz RAMMIWOMUMJNSR-KOLCDFICSA-N 1 2 248.317 1.529 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC1 ZINC001118311857 988214693 /nfs/dbraw/zinc/21/46/93/988214693.db2.gz MLKDDRBPSCEESO-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC1 ZINC001118311857 988214702 /nfs/dbraw/zinc/21/47/02/988214702.db2.gz MLKDDRBPSCEESO-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(F)c(OC)c1 ZINC001118609427 988477949 /nfs/dbraw/zinc/47/79/49/988477949.db2.gz PIKKRRKWTXQPNI-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(F)c(OC)c1 ZINC001118609427 988477958 /nfs/dbraw/zinc/47/79/58/988477958.db2.gz PIKKRRKWTXQPNI-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO O=C(CC1CC1)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001498911819 988510713 /nfs/dbraw/zinc/51/07/13/988510713.db2.gz FHGMAXHMBSBXPQ-VJWLILGKSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(CC1CC1)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001498911819 988510724 /nfs/dbraw/zinc/51/07/24/988510724.db2.gz FHGMAXHMBSBXPQ-VJWLILGKSA-N 1 2 242.750 1.730 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)n[nH]1 ZINC001118756555 988555153 /nfs/dbraw/zinc/55/51/53/988555153.db2.gz GIIFAGMLHZASDA-MWLCHTKSSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)n[nH]1 ZINC001118756555 988555163 /nfs/dbraw/zinc/55/51/63/988555163.db2.gz GIIFAGMLHZASDA-MWLCHTKSSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC001118794241 988605127 /nfs/dbraw/zinc/60/51/27/988605127.db2.gz WAIKQUMREJBZNZ-SNVBAGLBSA-N 1 2 244.298 1.183 20 0 BDADLO CCC[C@@]1(CO)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001323777012 988614006 /nfs/dbraw/zinc/61/40/06/988614006.db2.gz GWNFHQAKQCKTGS-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001323777012 988614017 /nfs/dbraw/zinc/61/40/17/988614017.db2.gz GWNFHQAKQCKTGS-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC001323930596 988652692 /nfs/dbraw/zinc/65/26/92/988652692.db2.gz NIQSRJGESGMFIP-RYUDHWBXSA-N 1 2 241.331 1.487 20 0 BDADLO Cc1ncccc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118890498 988671620 /nfs/dbraw/zinc/67/16/20/988671620.db2.gz MFEDODMBWKIKSI-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO Cn1nccc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC001118927330 988707858 /nfs/dbraw/zinc/70/78/58/988707858.db2.gz NOLPEKKDLXWKFY-UHFFFAOYSA-N 1 2 218.304 1.962 20 0 BDADLO c1nc(C2CC2)oc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001118943187 988723974 /nfs/dbraw/zinc/72/39/74/988723974.db2.gz YVZVWRPPGMPFOJ-ZDUSSCGKSA-N 1 2 234.299 1.917 20 0 BDADLO c1nc(C2CC2)oc1C[N@H+]1CC[C@@]12CCOC2 ZINC001118943187 988723998 /nfs/dbraw/zinc/72/39/98/988723998.db2.gz YVZVWRPPGMPFOJ-ZDUSSCGKSA-N 1 2 234.299 1.917 20 0 BDADLO COCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001119038610 988801418 /nfs/dbraw/zinc/80/14/18/988801418.db2.gz KLIQQUGZDCXUAI-NXEZZACHSA-N 1 2 237.303 1.056 20 0 BDADLO COCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001119038610 988801426 /nfs/dbraw/zinc/80/14/26/988801426.db2.gz KLIQQUGZDCXUAI-NXEZZACHSA-N 1 2 237.303 1.056 20 0 BDADLO COCC1([N@H+](C)Cc2cn(C(C)C)nn2)CC1 ZINC001324370882 988820454 /nfs/dbraw/zinc/82/04/54/988820454.db2.gz OPVIGCSYUROKBJ-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO COCC1([N@@H+](C)Cc2cn(C(C)C)nn2)CC1 ZINC001324370882 988820461 /nfs/dbraw/zinc/82/04/61/988820461.db2.gz OPVIGCSYUROKBJ-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1)c1cc(CO)on1 ZINC001324399538 988827213 /nfs/dbraw/zinc/82/72/13/988827213.db2.gz LAWXACPPNZUSHU-VIFPVBQESA-N 1 2 233.271 1.413 20 0 BDADLO OCc1nc2cc(-n3cc[nH+]c3)c(F)cc2[nH]1 ZINC001247018976 988844974 /nfs/dbraw/zinc/84/49/74/988844974.db2.gz FCZJGMVUSVFACF-UHFFFAOYSA-N 1 2 232.218 1.380 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccc[nH]1 ZINC001324521412 988864721 /nfs/dbraw/zinc/86/47/21/988864721.db2.gz VVUUADHYAPVCEJ-UWVGGRQHSA-N 1 2 232.287 1.650 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(C)c1O ZINC001546336894 988883453 /nfs/dbraw/zinc/88/34/53/988883453.db2.gz ZFWYAXPNIMDSOF-NSHDSACASA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(C)c1O ZINC001546336894 988883455 /nfs/dbraw/zinc/88/34/55/988883455.db2.gz ZFWYAXPNIMDSOF-NSHDSACASA-N 1 2 234.299 1.733 20 0 BDADLO [NH3+][C@H](CO)c1nc(-c2ccc3occc3c2)no1 ZINC001247490773 988895855 /nfs/dbraw/zinc/89/58/55/988895855.db2.gz KUSHWEZKANMFAX-SECBINFHSA-N 1 2 245.238 1.475 20 0 BDADLO [NH3+][C@H](CO)c1nc(-c2cccc(F)c2F)no1 ZINC001247491740 988899823 /nfs/dbraw/zinc/89/98/23/988899823.db2.gz VKXGMTZULFZIKH-SSDOTTSWSA-N 1 2 241.197 1.007 20 0 BDADLO [NH3+][C@H](CO)c1nc(-c2cc(F)ccc2F)no1 ZINC001247492125 988899863 /nfs/dbraw/zinc/89/98/63/988899863.db2.gz ZXJYDAZAKBPBRE-MRVPVSSYSA-N 1 2 241.197 1.007 20 0 BDADLO Cc1cc(C)cc(-c2noc([C@@H]([NH3+])CO)n2)c1 ZINC001247612372 988948872 /nfs/dbraw/zinc/94/88/72/988948872.db2.gz LWUWDQSYTHLMBQ-JTQLQIEISA-N 1 2 233.271 1.346 20 0 BDADLO C[C@@H]1CCC(F)(F)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001514905606 988963489 /nfs/dbraw/zinc/96/34/89/988963489.db2.gz ISPWCNPJEQDQQV-MRVPVSSYSA-N 1 2 243.257 1.598 20 0 BDADLO CCc1ccc(N2CCn3nc(C)nc3C2)[nH+]c1 ZINC001515538799 989061160 /nfs/dbraw/zinc/06/11/60/989061160.db2.gz RGJHLAWFCIDSPW-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO Cc1ncoc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001325089883 989083734 /nfs/dbraw/zinc/08/37/34/989083734.db2.gz UHOOJXMNIYOQOG-UHFFFAOYSA-N 1 2 231.215 1.278 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](O)[C@@H](C)C2)[nH+]1 ZINC001515657874 989094129 /nfs/dbraw/zinc/09/41/29/989094129.db2.gz BIWKDIDMIKJOJY-KWQFWETISA-N 1 2 224.279 1.736 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2CC3(CC3)CC2=O)C1 ZINC001325214407 989122618 /nfs/dbraw/zinc/12/26/18/989122618.db2.gz IPTVTDCPYSJWMP-LBPRGKRZSA-N 1 2 240.322 1.780 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2CC3(CC3)CC2=O)C1 ZINC001325214407 989122622 /nfs/dbraw/zinc/12/26/22/989122622.db2.gz IPTVTDCPYSJWMP-LBPRGKRZSA-N 1 2 240.322 1.780 20 0 BDADLO CC1=CC(=N)[N@@H+](c2cc3cccnc3[nH]2)C=C1N ZINC001248711446 989133281 /nfs/dbraw/zinc/13/32/81/989133281.db2.gz PXJXXGLDHVEZAO-UHFFFAOYSA-N 1 2 239.282 1.724 20 0 BDADLO CC1=CC(=N)[N@H+](c2cc3cccnc3[nH]2)C=C1N ZINC001248711446 989133286 /nfs/dbraw/zinc/13/32/86/989133286.db2.gz PXJXXGLDHVEZAO-UHFFFAOYSA-N 1 2 239.282 1.724 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@]1(F)CCOC1 ZINC001325287315 989145426 /nfs/dbraw/zinc/14/54/26/989145426.db2.gz QWDQEJCVYHEYDA-GFCCVEGCSA-N 1 2 249.245 1.401 20 0 BDADLO C[C@H](C(=O)N1CCC[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC001119575010 989175654 /nfs/dbraw/zinc/17/56/54/989175654.db2.gz QCNFEEMRCBZHQW-MXWKQRLJSA-N 1 2 219.288 1.455 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc2n1CCC2 ZINC001248821368 989176909 /nfs/dbraw/zinc/17/69/09/989176909.db2.gz XJJNWLIJCLHCME-UHFFFAOYSA-N 1 2 206.289 1.455 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc2n1CCC2 ZINC001248821368 989176918 /nfs/dbraw/zinc/17/69/18/989176918.db2.gz XJJNWLIJCLHCME-UHFFFAOYSA-N 1 2 206.289 1.455 20 0 BDADLO C[C@@H](C(=O)Nc1ccc[nH]c1=O)n1cc[nH+]c1 ZINC001325425373 989185292 /nfs/dbraw/zinc/18/52/92/989185292.db2.gz ZNMOKVLJHMOIKR-QMMMGPOBSA-N 1 2 232.243 1.183 20 0 BDADLO C[C@@H](c1nc([C@H]2CCCO2)no1)n1cc[nH+]c1 ZINC001325492686 989194473 /nfs/dbraw/zinc/19/44/73/989194473.db2.gz ZIBGAZVPATWHEX-DTWKUNHWSA-N 1 2 234.259 1.727 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC(F)(F)F)c[nH+]1 ZINC001119593438 989199262 /nfs/dbraw/zinc/19/92/62/989199262.db2.gz SDFCTLFZLPVXNY-UHFFFAOYSA-N 1 2 249.236 1.605 20 0 BDADLO COC[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC001325602304 989215306 /nfs/dbraw/zinc/21/53/06/989215306.db2.gz UCTRURLDVJWRIB-JTQLQIEISA-N 1 2 246.314 1.596 20 0 BDADLO COC[C@H](C)[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC001325602304 989215319 /nfs/dbraw/zinc/21/53/19/989215319.db2.gz UCTRURLDVJWRIB-JTQLQIEISA-N 1 2 246.314 1.596 20 0 BDADLO C[C@H](NCc1c[nH+]cn1C)c1ncco1 ZINC001119628306 989262803 /nfs/dbraw/zinc/26/28/03/989262803.db2.gz AQEHLQHKKHDTEK-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO CCO[C@H]1C[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001325803980 989267371 /nfs/dbraw/zinc/26/73/71/989267371.db2.gz ZXKHDVAISZVRSH-YUMQZZPRSA-N 1 2 211.265 1.024 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1COC(=O)C1 ZINC001518384162 989300574 /nfs/dbraw/zinc/30/05/74/989300574.db2.gz NOVIYISZDKOIIJ-SNVBAGLBSA-N 1 2 248.282 1.012 20 0 BDADLO C[C@@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001518511269 989316481 /nfs/dbraw/zinc/31/64/81/989316481.db2.gz JQUBERGGDQXYIA-WCQYABFASA-N 1 2 241.306 1.930 20 0 BDADLO C[C@@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001518511269 989316491 /nfs/dbraw/zinc/31/64/91/989316491.db2.gz JQUBERGGDQXYIA-WCQYABFASA-N 1 2 241.306 1.930 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)s1 ZINC001119685383 989320322 /nfs/dbraw/zinc/32/03/22/989320322.db2.gz OGMAFCIIIVCLSX-VHSXEESVSA-N 1 2 239.344 1.539 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)s1 ZINC001119685383 989320333 /nfs/dbraw/zinc/32/03/33/989320333.db2.gz OGMAFCIIIVCLSX-VHSXEESVSA-N 1 2 239.344 1.539 20 0 BDADLO Cn1ncc2cc(Nc3[nH+]cccc3N)cnc21 ZINC001249660113 989336406 /nfs/dbraw/zinc/33/64/06/989336406.db2.gz XSOFRSLXRBWWDL-UHFFFAOYSA-N 1 2 240.270 1.689 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)Cc1ccoc1 ZINC001519076469 989375603 /nfs/dbraw/zinc/37/56/03/989375603.db2.gz OPNXZHIODBZWJU-UHFFFAOYSA-N 1 2 248.282 1.732 20 0 BDADLO C[C@H](c1cnn(C)c1)c1nnc(C[NH+](C)C)o1 ZINC001326291695 989470838 /nfs/dbraw/zinc/47/08/38/989470838.db2.gz DDTCVDZVABEJGG-MRVPVSSYSA-N 1 2 235.291 1.017 20 0 BDADLO CNc1cc(CNC(=O)N2CCC[C@@H]2C)cc[nH+]1 ZINC001519903544 989472956 /nfs/dbraw/zinc/47/29/56/989472956.db2.gz ZVJLXJDOLZMCTP-JTQLQIEISA-N 1 2 248.330 1.817 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccnc1C1CC1 ZINC001119920668 989480013 /nfs/dbraw/zinc/48/00/13/989480013.db2.gz UXXWFSPNRZBYLA-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO CN(CCOC(C)(C)C)c1nccn2c[nH+]cc12 ZINC001119947857 989499269 /nfs/dbraw/zinc/49/92/69/989499269.db2.gz YLXBSTROVNCBCU-UHFFFAOYSA-N 1 2 248.330 1.981 20 0 BDADLO CN(C)c1cc(NCCCC(F)F)[nH+]cn1 ZINC001119973723 989529271 /nfs/dbraw/zinc/52/92/71/989529271.db2.gz AQLHMFBHKMZMMD-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO CN(C)c1cc(NCCCC(F)F)nc[nH+]1 ZINC001119973723 989529280 /nfs/dbraw/zinc/52/92/80/989529280.db2.gz AQLHMFBHKMZMMD-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001119975356 989533185 /nfs/dbraw/zinc/53/31/85/989533185.db2.gz UKRFWDMIFGCQDL-RITPCOANSA-N 1 2 233.218 1.274 20 0 BDADLO C[C@H](C(=O)NCC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001326467982 989568982 /nfs/dbraw/zinc/56/89/82/989568982.db2.gz RZJOHCPJDLKKJF-MRVPVSSYSA-N 1 2 243.257 1.606 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCCC12CC2 ZINC001520632506 989585320 /nfs/dbraw/zinc/58/53/20/989585320.db2.gz MPIJXDIFQYPZHZ-NSHDSACASA-N 1 2 247.342 1.659 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC(F)(F)C1 ZINC001521309932 989672375 /nfs/dbraw/zinc/67/23/75/989672375.db2.gz XCVLRJPNHCZGOG-UHFFFAOYSA-N 1 2 243.257 1.220 20 0 BDADLO CC(C)c1ocnc1C[NH+]1CC(C)(C(N)=O)C1 ZINC001326792701 989711455 /nfs/dbraw/zinc/71/14/55/989711455.db2.gz LHWDRTWATCQOPZ-UHFFFAOYSA-N 1 2 237.303 1.105 20 0 BDADLO CC(C)CC[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC001326891829 989762143 /nfs/dbraw/zinc/76/21/43/989762143.db2.gz VJHQYYVNIMYZDM-JTQLQIEISA-N 1 2 238.335 1.792 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC001120704827 989838611 /nfs/dbraw/zinc/83/86/11/989838611.db2.gz NCCKNEXDNMXRGY-ONGXEEELSA-N 1 2 237.303 1.149 20 0 BDADLO CCn1ncnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001120820674 989903533 /nfs/dbraw/zinc/90/35/33/989903533.db2.gz FHVKNCAWAAIZPM-UHFFFAOYSA-N 1 2 246.318 1.405 20 0 BDADLO CCc1ccc(N2C[C@@H](CC)[C@H](O)C2)[nH+]c1 ZINC001120828568 989906221 /nfs/dbraw/zinc/90/62/21/989906221.db2.gz STMLOXQAVLHHKH-VXGBXAGGSA-N 1 2 220.316 1.851 20 0 BDADLO Cc1c[nH+]c(CCNc2ncc(O)cn2)c(C)c1 ZINC001120944848 989980357 /nfs/dbraw/zinc/98/03/57/989980357.db2.gz ARJXARXHWGQKAO-UHFFFAOYSA-N 1 2 244.298 1.849 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CCOC1 ZINC001121141054 990021986 /nfs/dbraw/zinc/02/19/86/990021986.db2.gz XPXMVKLHMJKMGW-LLVKDONJSA-N 1 2 234.299 1.485 20 0 BDADLO CCCNc1cc(N[C@@H]2CO[C@H](C)C2)nc[nH+]1 ZINC000401372156 990090776 /nfs/dbraw/zinc/09/07/76/990090776.db2.gz GIEBUSIELHVTFB-ZJUUUORDSA-N 1 2 236.319 1.888 20 0 BDADLO CCCNc1cc(N[C@@H]2CO[C@H](C)C2)[nH+]cn1 ZINC000401372156 990090787 /nfs/dbraw/zinc/09/07/87/990090787.db2.gz GIEBUSIELHVTFB-ZJUUUORDSA-N 1 2 236.319 1.888 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1(F)F ZINC001528610618 990302466 /nfs/dbraw/zinc/30/24/66/990302466.db2.gz HHBAFLDAOXXTRW-BHNWBGBOSA-N 1 2 241.241 1.345 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1CCCC1(C)C ZINC001528929400 990322216 /nfs/dbraw/zinc/32/22/16/990322216.db2.gz QSLLBFHMZMJZGF-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@H]1C=CCC1 ZINC001529222289 990337588 /nfs/dbraw/zinc/33/75/88/990337588.db2.gz GFDHJYCGTDAOPP-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO CCC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001122352816 990353936 /nfs/dbraw/zinc/35/39/36/990353936.db2.gz FBRUCMSTMQMMNZ-UHFFFAOYSA-N 1 2 239.319 1.414 20 0 BDADLO O=C(N[C@H]1C=CCC1)c1cccc2[nH+]ccn21 ZINC001531369281 990391044 /nfs/dbraw/zinc/39/10/44/990391044.db2.gz CVHVBHYIVWNFAZ-JTQLQIEISA-N 1 2 227.267 1.783 20 0 BDADLO COc1cccnc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001535594870 990474264 /nfs/dbraw/zinc/47/42/64/990474264.db2.gz ZRHVPXLFSAKYFG-UHFFFAOYSA-N 1 2 243.266 1.468 20 0 BDADLO CN(Cc1ccc(F)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001538767372 990542002 /nfs/dbraw/zinc/54/20/02/990542002.db2.gz KRAFSBYYVAGESM-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO CC[C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001123565646 990616369 /nfs/dbraw/zinc/61/63/69/990616369.db2.gz ZFYZLBGGMVJKTN-NSHDSACASA-N 1 2 237.347 1.857 20 0 BDADLO [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCCC(=O)[O-] ZINC001608255749 990651865 /nfs/dbraw/zinc/65/18/65/990651865.db2.gz ICQCIEMIAJAVFT-ZDUSSCGKSA-N 1 2 248.326 1.409 20 0 BDADLO [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCCC(=O)[O-] ZINC001608255749 990651871 /nfs/dbraw/zinc/65/18/71/990651871.db2.gz ICQCIEMIAJAVFT-ZDUSSCGKSA-N 1 2 248.326 1.409 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(F)c1F ZINC001542377701 990663155 /nfs/dbraw/zinc/66/31/55/990663155.db2.gz IBSXQFSAMCTGKT-UHFFFAOYSA-N 1 2 237.209 1.869 20 0 BDADLO CNc1cc(CNC(=O)NC2(C)CC2)cc[nH+]1 ZINC001123796647 990671584 /nfs/dbraw/zinc/67/15/84/990671584.db2.gz YZFIVCFHASGFLC-UHFFFAOYSA-N 1 2 234.303 1.475 20 0 BDADLO CCC1(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001123798937 990673686 /nfs/dbraw/zinc/67/36/86/990673686.db2.gz QIWYWQHRNBWDFW-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001123808985 990674549 /nfs/dbraw/zinc/67/45/49/990674549.db2.gz PMBMSLWOSBVUIH-GRYCIOLGSA-N 1 2 249.358 1.856 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001543847004 990704555 /nfs/dbraw/zinc/70/45/55/990704555.db2.gz RWODXQNTTJRYHI-SECBINFHSA-N 1 2 223.320 1.908 20 0 BDADLO C=C/C=C/CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC001543797686 990704801 /nfs/dbraw/zinc/70/48/01/990704801.db2.gz WHSAMFXHWKAARL-ONEGZZNKSA-N 1 2 217.272 1.399 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCCc1[nH+]ccn1C ZINC001124010792 990732491 /nfs/dbraw/zinc/73/24/91/990732491.db2.gz LOGYMJSZWDZRKY-FZMZJTMJSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC12CCC2 ZINC001124011126 990732604 /nfs/dbraw/zinc/73/26/04/990732604.db2.gz MGXMQGJLALFVCS-JTQLQIEISA-N 1 2 233.315 1.269 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1CCCC1 ZINC001548625041 990772302 /nfs/dbraw/zinc/77/23/02/990772302.db2.gz FWABFBOJTNDCBU-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)C2CC=CC2)o1 ZINC001125135060 990816278 /nfs/dbraw/zinc/81/62/78/990816278.db2.gz BTUFQBGALQARPH-UHFFFAOYSA-N 1 2 249.314 1.155 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cncnc2)cn1 ZINC001137670207 990837954 /nfs/dbraw/zinc/83/79/54/990837954.db2.gz CSGPZWFRDYJYEZ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cncnc2)cn1 ZINC001137670207 990837958 /nfs/dbraw/zinc/83/79/58/990837958.db2.gz CSGPZWFRDYJYEZ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCOC1(C)C)n1cc[nH+]c1 ZINC001556663392 990841547 /nfs/dbraw/zinc/84/15/47/990841547.db2.gz IZDOYLAJAADOMA-ZJUUUORDSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCOC1(C)C)n1cc[nH+]c1 ZINC001556663389 990843114 /nfs/dbraw/zinc/84/31/14/990843114.db2.gz IZDOYLAJAADOMA-NXEZZACHSA-N 1 2 237.303 1.128 20 0 BDADLO CC[C@@H](C)CONC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001556803973 990856502 /nfs/dbraw/zinc/85/65/02/990856502.db2.gz POPWDDBRHZFHAT-GHMZBOCLSA-N 1 2 246.326 1.514 20 0 BDADLO CC[C@@H](C)CONC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001556803973 990856508 /nfs/dbraw/zinc/85/65/08/990856508.db2.gz POPWDDBRHZFHAT-GHMZBOCLSA-N 1 2 246.326 1.514 20 0 BDADLO CC[C@H](C)CONC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001556803975 990857665 /nfs/dbraw/zinc/85/76/65/990857665.db2.gz POPWDDBRHZFHAT-QWRGUYRKSA-N 1 2 246.326 1.514 20 0 BDADLO CC[C@H](C)CONC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001556803975 990857667 /nfs/dbraw/zinc/85/76/67/990857667.db2.gz POPWDDBRHZFHAT-QWRGUYRKSA-N 1 2 246.326 1.514 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001556943505 990865561 /nfs/dbraw/zinc/86/55/61/990865561.db2.gz ZJTIDFKOSIOHPK-MDZLAQPJSA-N 1 2 235.331 1.995 20 0 BDADLO COCC[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001557035217 990872698 /nfs/dbraw/zinc/87/26/98/990872698.db2.gz VAZCJSFQUFWWTC-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO Cc1cc(C)c(NC(=O)Cc2[nH]cc[nH+]2)cc1O ZINC001138069013 990880167 /nfs/dbraw/zinc/88/01/67/990880167.db2.gz CDHPSEIFBAPULX-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001138095980 990881145 /nfs/dbraw/zinc/88/11/45/990881145.db2.gz OJBGOXYRBJVNIU-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO CCOc1cccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001138095980 990881147 /nfs/dbraw/zinc/88/11/47/990881147.db2.gz OJBGOXYRBJVNIU-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO COC1C[NH+](Cc2cccc3nccnc23)C1 ZINC001138299387 990908639 /nfs/dbraw/zinc/90/86/39/990908639.db2.gz ZFPVDWXSKNMVBS-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO O=C1CCC[N@@H+](Cc2ncccc2O)CC1 ZINC001138391294 990929016 /nfs/dbraw/zinc/92/90/16/990929016.db2.gz RUUQDZPZUSQMIC-UHFFFAOYSA-N 1 2 220.272 1.342 20 0 BDADLO O=C1CCC[N@H+](Cc2ncccc2O)CC1 ZINC001138391294 990929023 /nfs/dbraw/zinc/92/90/23/990929023.db2.gz RUUQDZPZUSQMIC-UHFFFAOYSA-N 1 2 220.272 1.342 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccnc(C)c2)c[nH+]1 ZINC001558497319 990948190 /nfs/dbraw/zinc/94/81/90/990948190.db2.gz JSGNQBFCQHREQC-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccnc(C)c2)[nH+]1 ZINC001558497319 990948204 /nfs/dbraw/zinc/94/82/04/990948204.db2.gz JSGNQBFCQHREQC-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2C[C@H]2C)c[nH+]1 ZINC001558497298 990949758 /nfs/dbraw/zinc/94/97/58/990949758.db2.gz JEIDUELHOPYTEJ-VXNVDRBHSA-N 1 2 207.277 1.244 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2C[C@H]2C)[nH+]1 ZINC001558497298 990949764 /nfs/dbraw/zinc/94/97/64/990949764.db2.gz JEIDUELHOPYTEJ-VXNVDRBHSA-N 1 2 207.277 1.244 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C2(C)COC2)[nH+]1 ZINC001558560664 990965897 /nfs/dbraw/zinc/96/58/97/990965897.db2.gz KBGUWFRECPLRAF-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C2(C)COC2)c[nH+]1 ZINC001558560664 990965906 /nfs/dbraw/zinc/96/59/06/990965906.db2.gz KBGUWFRECPLRAF-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO CCCn1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1C ZINC001138639172 990990251 /nfs/dbraw/zinc/99/02/51/990990251.db2.gz MEGXZJSIEDNRRL-STQMWFEESA-N 1 2 235.331 1.575 20 0 BDADLO CCCn1ncc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1C ZINC001138639172 990990259 /nfs/dbraw/zinc/99/02/59/990990259.db2.gz MEGXZJSIEDNRRL-STQMWFEESA-N 1 2 235.331 1.575 20 0 BDADLO OCc1cc[nH+]c(NCc2cccc(O)c2)c1 ZINC001308442242 990998391 /nfs/dbraw/zinc/99/83/91/990998391.db2.gz CABPZDCLWIXYBV-UHFFFAOYSA-N 1 2 230.267 1.892 20 0 BDADLO CSc1ncc(C[N@@H+]2CCCOCC2)cn1 ZINC001138700541 991012386 /nfs/dbraw/zinc/01/23/86/991012386.db2.gz LYENDTMERPZOFI-UHFFFAOYSA-N 1 2 239.344 1.421 20 0 BDADLO CSc1ncc(C[N@H+]2CCCOCC2)cn1 ZINC001138700541 991012395 /nfs/dbraw/zinc/01/23/95/991012395.db2.gz LYENDTMERPZOFI-UHFFFAOYSA-N 1 2 239.344 1.421 20 0 BDADLO C[C@@H]1CC([NH2+]Cc2nnc(CO)[nH]2)C[C@@H](C)C1 ZINC001308558423 991039380 /nfs/dbraw/zinc/03/93/80/991039380.db2.gz OXUAAKAHXZKVGN-IUCAKERBSA-N 1 2 238.335 1.211 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccnc2F)CC[C@H]1F ZINC001138783116 991039953 /nfs/dbraw/zinc/03/99/53/991039953.db2.gz LMGYPPLQTQQSIN-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccnc2F)CC[C@H]1F ZINC001138783116 991039959 /nfs/dbraw/zinc/03/99/59/991039959.db2.gz LMGYPPLQTQQSIN-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO Fc1ncccc1C[N@@H+]1CCn2nccc2C1 ZINC001138791305 991053225 /nfs/dbraw/zinc/05/32/25/991053225.db2.gz YDAQPVKXTXOCKP-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1ncccc1C[N@H+]1CCn2nccc2C1 ZINC001138791305 991053234 /nfs/dbraw/zinc/05/32/34/991053234.db2.gz YDAQPVKXTXOCKP-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO CCCn1cc(C[N@H+](C)Cc2cn[nH]c2)c(C)n1 ZINC001308607958 991060469 /nfs/dbraw/zinc/06/04/69/991060469.db2.gz UGJHBYHNMIHKHT-UHFFFAOYSA-N 1 2 247.346 1.957 20 0 BDADLO CCCn1cc(C[N@@H+](C)Cc2cn[nH]c2)c(C)n1 ZINC001308607958 991060485 /nfs/dbraw/zinc/06/04/85/991060485.db2.gz UGJHBYHNMIHKHT-UHFFFAOYSA-N 1 2 247.346 1.957 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cccc2ccnn21 ZINC001138806962 991065364 /nfs/dbraw/zinc/06/53/64/991065364.db2.gz VFWMGVVDECWDHX-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cccc2ccnn21 ZINC001138806962 991065376 /nfs/dbraw/zinc/06/53/76/991065376.db2.gz VFWMGVVDECWDHX-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO c1ccc2nc(C[NH+]3CC4(COC4)C3)cnc2c1 ZINC001138863458 991089030 /nfs/dbraw/zinc/08/90/30/991089030.db2.gz MTWVDPWECMDNSO-UHFFFAOYSA-N 1 2 241.294 1.462 20 0 BDADLO CCc1cn(Cc2ncnn2CC)c[nH+]1 ZINC001559466405 991113028 /nfs/dbraw/zinc/11/30/28/991113028.db2.gz RXALKMGPMRZTHO-UHFFFAOYSA-N 1 2 205.265 1.105 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccco2)CCO1 ZINC001258198511 991114521 /nfs/dbraw/zinc/11/45/21/991114521.db2.gz ZVVACCRAIOCPBG-ZWNOBZJWSA-N 1 2 237.299 1.500 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccco2)CCO1 ZINC001258198511 991114528 /nfs/dbraw/zinc/11/45/28/991114528.db2.gz ZVVACCRAIOCPBG-ZWNOBZJWSA-N 1 2 237.299 1.500 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[C@H]1C ZINC001138944020 991114775 /nfs/dbraw/zinc/11/47/75/991114775.db2.gz RTDKKGJCDNNEBE-MWLCHTKSSA-N 1 2 235.331 1.813 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccco2)CCO1 ZINC001258198510 991116606 /nfs/dbraw/zinc/11/66/06/991116606.db2.gz ZVVACCRAIOCPBG-MFKMUULPSA-N 1 2 237.299 1.500 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccco2)CCO1 ZINC001258198510 991116614 /nfs/dbraw/zinc/11/66/14/991116614.db2.gz ZVVACCRAIOCPBG-MFKMUULPSA-N 1 2 237.299 1.500 20 0 BDADLO CO[C@H]1C[N@H+](Cc2c(C)n[nH]c2C)C[C@@H]1F ZINC001139094525 991140091 /nfs/dbraw/zinc/14/00/91/991140091.db2.gz KEOHESUZLSMSKL-QWRGUYRKSA-N 1 2 227.283 1.195 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2c(C)n[nH]c2C)C[C@@H]1F ZINC001139094525 991140094 /nfs/dbraw/zinc/14/00/94/991140094.db2.gz KEOHESUZLSMSKL-QWRGUYRKSA-N 1 2 227.283 1.195 20 0 BDADLO CCOC(=O)C1([NH2+]CC[C@H](C)O)CCCCC1 ZINC001559612293 991189545 /nfs/dbraw/zinc/18/95/45/991189545.db2.gz GXKBYNZBFNHRSU-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cnc(N)s2)C[C@@H]1F ZINC001139226214 991195231 /nfs/dbraw/zinc/19/52/31/991195231.db2.gz WAZNCHKSMGJYOG-WCBMZHEXSA-N 1 2 247.314 1.997 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cnc(N)s2)C[C@@H]1F ZINC001139226214 991195244 /nfs/dbraw/zinc/19/52/44/991195244.db2.gz WAZNCHKSMGJYOG-WCBMZHEXSA-N 1 2 247.314 1.997 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cnc(N)s1 ZINC001139228842 991208926 /nfs/dbraw/zinc/20/89/26/991208926.db2.gz DGSINKSFYLAZQZ-UHFFFAOYSA-N 1 2 224.289 1.345 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cnc(N)s1 ZINC001139228842 991208937 /nfs/dbraw/zinc/20/89/37/991208937.db2.gz DGSINKSFYLAZQZ-UHFFFAOYSA-N 1 2 224.289 1.345 20 0 BDADLO CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC001258315256 991238940 /nfs/dbraw/zinc/23/89/40/991238940.db2.gz KVYYRIARYNORIY-BDAKNGLRSA-N 1 2 231.361 1.812 20 0 BDADLO Nc1ncnc(Cl)c1C[NH+]1CC2CC(C2)C1 ZINC001139441511 991242171 /nfs/dbraw/zinc/24/21/71/991242171.db2.gz BWZRAOLEQOHRFP-UHFFFAOYSA-N 1 2 238.722 1.554 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)CCC(=O)OC ZINC001258360061 991299710 /nfs/dbraw/zinc/29/97/10/991299710.db2.gz MRSUNIVPKBTDPB-VHSXEESVSA-N 1 2 245.319 1.259 20 0 BDADLO CCC1(C[N@@H+]2Cc3cnn(C)c3C2)COC1 ZINC001202963029 991334953 /nfs/dbraw/zinc/33/49/53/991334953.db2.gz TVTQDZWHDXFMRU-UHFFFAOYSA-N 1 2 221.304 1.162 20 0 BDADLO CCC1(C[N@H+]2Cc3cnn(C)c3C2)COC1 ZINC001202963029 991334956 /nfs/dbraw/zinc/33/49/56/991334956.db2.gz TVTQDZWHDXFMRU-UHFFFAOYSA-N 1 2 221.304 1.162 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001139715785 991342421 /nfs/dbraw/zinc/34/24/21/991342421.db2.gz MXAPYZJVWLHNPL-UONOGXRCSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001139715785 991342426 /nfs/dbraw/zinc/34/24/26/991342426.db2.gz MXAPYZJVWLHNPL-UONOGXRCSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)nc1 ZINC001139837731 991394983 /nfs/dbraw/zinc/39/49/83/991394983.db2.gz SKLGNDJMOZDHJO-VXGBXAGGSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)nc1 ZINC001139837731 991394988 /nfs/dbraw/zinc/39/49/88/991394988.db2.gz SKLGNDJMOZDHJO-VXGBXAGGSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn(C)cc3C2)nc1 ZINC001139838615 991396677 /nfs/dbraw/zinc/39/66/77/991396677.db2.gz LHGMVTJARSDFGI-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn(C)cc3C2)nc1 ZINC001139838615 991396682 /nfs/dbraw/zinc/39/66/82/991396682.db2.gz LHGMVTJARSDFGI-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccncc2Cl)CC[C@@H]1F ZINC001139845748 991399711 /nfs/dbraw/zinc/39/97/11/991399711.db2.gz QFFKXQIUSFTOBY-QWRGUYRKSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@@H]1F ZINC001139845748 991399720 /nfs/dbraw/zinc/39/97/20/991399720.db2.gz QFFKXQIUSFTOBY-QWRGUYRKSA-N 1 2 244.697 1.640 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H](C)CC1CC1 ZINC001258464481 991418821 /nfs/dbraw/zinc/41/88/21/991418821.db2.gz KRUYDCPYOVTJLN-MIMYLULJSA-N 1 2 229.295 1.760 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H](C)CC1CC1 ZINC001258464481 991418830 /nfs/dbraw/zinc/41/88/30/991418830.db2.gz KRUYDCPYOVTJLN-MIMYLULJSA-N 1 2 229.295 1.760 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2cccnn2)C1 ZINC001139970222 991435057 /nfs/dbraw/zinc/43/50/57/991435057.db2.gz ORXLVAYPLTVYLL-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2cccnn2)C1 ZINC001139970222 991435060 /nfs/dbraw/zinc/43/50/60/991435060.db2.gz ORXLVAYPLTVYLL-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2ccnnc2)C1 ZINC001139981107 991452629 /nfs/dbraw/zinc/45/26/29/991452629.db2.gz ATCWBKZVCZZTMG-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2ccnnc2)C1 ZINC001139981107 991452635 /nfs/dbraw/zinc/45/26/35/991452635.db2.gz ATCWBKZVCZZTMG-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO c1ccc2c(c1)C[N@H+](Cc1ccnnc1)CCO2 ZINC001139982913 991455207 /nfs/dbraw/zinc/45/52/07/991455207.db2.gz GSMGYOFYAOLVNA-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO c1ccc2c(c1)C[N@@H+](Cc1ccnnc1)CCO2 ZINC001139982913 991455212 /nfs/dbraw/zinc/45/52/12/991455212.db2.gz GSMGYOFYAOLVNA-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO CCOC(=O)CC[C@@H](C)[N@@H+]1CCC12COC2 ZINC001258497107 991463664 /nfs/dbraw/zinc/46/36/64/991463664.db2.gz ZSPHWCSJLGWAEE-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)CC[C@@H](C)[N@H+]1CCC12COC2 ZINC001258497107 991463668 /nfs/dbraw/zinc/46/36/68/991463668.db2.gz ZSPHWCSJLGWAEE-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccnnc2)CCO1 ZINC001139985816 991467003 /nfs/dbraw/zinc/46/70/03/991467003.db2.gz ZDOQCYMZGVCNMQ-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccnnc2)CCO1 ZINC001139985816 991467005 /nfs/dbraw/zinc/46/70/05/991467005.db2.gz ZDOQCYMZGVCNMQ-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(O)cc2F)cn1 ZINC001140125255 991524799 /nfs/dbraw/zinc/52/47/99/991524799.db2.gz XJADHUOCZNNOMO-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(O)cc2F)cn1 ZINC001140125255 991524810 /nfs/dbraw/zinc/52/48/10/991524810.db2.gz XJADHUOCZNNOMO-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO Cc1cc(C[N@@H+]2CCC23COC3)c(C)cc1O ZINC001140200987 991563449 /nfs/dbraw/zinc/56/34/49/991563449.db2.gz BLMPSSNKXSTDAO-UHFFFAOYSA-N 1 2 233.311 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCC23COC3)c(C)cc1O ZINC001140200987 991563459 /nfs/dbraw/zinc/56/34/59/991563459.db2.gz BLMPSSNKXSTDAO-UHFFFAOYSA-N 1 2 233.311 1.984 20 0 BDADLO COC1C[NH+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140232219 991568325 /nfs/dbraw/zinc/56/83/25/991568325.db2.gz XUDONXVEXXKGDD-UHFFFAOYSA-N 1 2 232.283 1.704 20 0 BDADLO Oc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)c21 ZINC001140234501 991571303 /nfs/dbraw/zinc/57/13/03/991571303.db2.gz AICWGRCEKOREHN-QWRGUYRKSA-N 1 2 244.294 1.847 20 0 BDADLO Oc1cccc2[nH]cc(C[N@H+]3C[C@@H]4C[C@H]3CO4)c21 ZINC001140234501 991571313 /nfs/dbraw/zinc/57/13/13/991571313.db2.gz AICWGRCEKOREHN-QWRGUYRKSA-N 1 2 244.294 1.847 20 0 BDADLO CC(=O)NC1C[NH+](CCCOc2ccccc2)C1 ZINC001317994961 991604370 /nfs/dbraw/zinc/60/43/70/991604370.db2.gz JTARMLDTHHQGHX-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO CCCCOCC[NH+]1CC(NC(=O)C2CC2)C1 ZINC001317994341 991605219 /nfs/dbraw/zinc/60/52/19/991605219.db2.gz CNWGPHGVEIXNMB-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCCN(CC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318008538 991608829 /nfs/dbraw/zinc/60/88/29/991608829.db2.gz VDUBFKZHYREAQB-JTQLQIEISA-N 1 2 209.293 1.703 20 0 BDADLO CC[N@H+](Cc1ccccn1)Cc1ccncn1 ZINC001140348487 991622444 /nfs/dbraw/zinc/62/24/44/991622444.db2.gz YCZMNYALHXNFBW-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1ccccn1)Cc1ccncn1 ZINC001140348487 991622449 /nfs/dbraw/zinc/62/24/49/991622449.db2.gz YCZMNYALHXNFBW-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001318278647 991641967 /nfs/dbraw/zinc/64/19/67/991641967.db2.gz JJNLKKNJGOLZEH-GMTAPVOTSA-N 1 2 221.304 1.749 20 0 BDADLO CC1(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC001318640191 991692202 /nfs/dbraw/zinc/69/22/02/991692202.db2.gz NDSGMMSYIMVBHU-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO CCCC[C@H](CCC)[NH2+][C@@H](CO)C(=O)OCC ZINC001258753118 991696639 /nfs/dbraw/zinc/69/66/39/991696639.db2.gz RXETUIOLHQAFOQ-RYUDHWBXSA-N 1 2 245.363 1.859 20 0 BDADLO C[C@H](c1nc(CC2CC2)no1)n1cc[nH+]c1 ZINC001318764346 991712142 /nfs/dbraw/zinc/71/21/42/991712142.db2.gz IUUSCPMVMASKIJ-MRVPVSSYSA-N 1 2 218.260 1.828 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)C2)[nH+]c1C ZINC001561055631 991712499 /nfs/dbraw/zinc/71/24/99/991712499.db2.gz RPYGFNZSCMPHQF-UHFFFAOYSA-N 1 2 201.220 1.477 20 0 BDADLO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258781834 991754507 /nfs/dbraw/zinc/75/45/07/991754507.db2.gz GFMVGXKLHXZZOR-WISYIIOYSA-N 1 2 245.363 1.713 20 0 BDADLO CC(F)(F)CCNC(=O)NCCn1cc[nH+]c1 ZINC001563778300 991755201 /nfs/dbraw/zinc/75/52/01/991755201.db2.gz MMIDLSVMOFUSKX-UHFFFAOYSA-N 1 2 246.261 1.228 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC001258807243 991807233 /nfs/dbraw/zinc/80/72/33/991807233.db2.gz GNXXNKLDHRLOTF-UWVGGRQHSA-N 1 2 211.305 1.860 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C(=O)CC2(C)C)C[C@@H](C)O1 ZINC001319380924 991852580 /nfs/dbraw/zinc/85/25/80/991852580.db2.gz TZWPUZOPEGMUQW-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C(=O)CC2(C)C)C[C@@H](C)O1 ZINC001319380924 991852587 /nfs/dbraw/zinc/85/25/87/991852587.db2.gz TZWPUZOPEGMUQW-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)n1cccc1 ZINC001319701116 991942001 /nfs/dbraw/zinc/94/20/01/991942001.db2.gz KIAGDKRPXKEJAW-JTQLQIEISA-N 1 2 232.287 1.131 20 0 BDADLO COC(=O)CC(C)(C)[N@H+](C)Cc1cn[nH]c1C ZINC001319711977 991945229 /nfs/dbraw/zinc/94/52/29/991945229.db2.gz NOUTYSLJEPNPGI-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO COC(=O)CC(C)(C)[N@@H+](C)Cc1cn[nH]c1C ZINC001319711977 991945252 /nfs/dbraw/zinc/94/52/52/991945252.db2.gz NOUTYSLJEPNPGI-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC001319757147 991965226 /nfs/dbraw/zinc/96/52/26/991965226.db2.gz WVBCZXROQUIBSB-UTUOFQBUSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1nc([C@H](C)NC(=O)[C@@H](C)n2cc[nH+]c2)no1 ZINC001319757811 991966533 /nfs/dbraw/zinc/96/65/33/991966533.db2.gz JHIZXISBXDREQT-JGVFFNPUSA-N 1 2 249.274 1.013 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001567776389 992085809 /nfs/dbraw/zinc/08/58/09/992085809.db2.gz MNPHXMNDNWOUQR-VHSXEESVSA-N 1 2 234.290 1.285 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001567776389 992085819 /nfs/dbraw/zinc/08/58/19/992085819.db2.gz MNPHXMNDNWOUQR-VHSXEESVSA-N 1 2 234.290 1.285 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)[C@@H](C)C(C)C)C1 ZINC001567807871 992097673 /nfs/dbraw/zinc/09/76/73/992097673.db2.gz BRBOGUSEOPTMRJ-NSHDSACASA-N 1 2 242.363 1.115 20 0 BDADLO CCC[NH+]1CCN(S(=O)(=O)[C@@H](C)CC)CC1 ZINC001260731205 992147715 /nfs/dbraw/zinc/14/77/15/992147715.db2.gz CWXJSJLUHSMCIA-NSHDSACASA-N 1 2 248.392 1.142 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320289956 992157267 /nfs/dbraw/zinc/15/72/67/992157267.db2.gz RQFNXWGKXXYJJJ-YUMQZZPRSA-N 1 2 249.236 1.901 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H](CC)OC)CCCC1 ZINC001261379807 992285829 /nfs/dbraw/zinc/28/58/29/992285829.db2.gz MYICPQVDFQSAII-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCCOCC1)n1cc[nH+]c1 ZINC001320663659 992300197 /nfs/dbraw/zinc/30/01/97/992300197.db2.gz PNKUZBGFOLZGIS-MNOVXSKESA-N 1 2 237.303 1.129 20 0 BDADLO Cc1cc(C)c(C(=O)NCCc2c[nH+]cn2C)[nH]1 ZINC001320719252 992334285 /nfs/dbraw/zinc/33/42/85/992334285.db2.gz AYEGXSXOLLEUOS-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO C[C@@H](C(=O)NCCOC(C)(C)C)n1cc[nH+]c1 ZINC001320794728 992363950 /nfs/dbraw/zinc/36/39/50/992363950.db2.gz VTFSIBDGDOUPGQ-JTQLQIEISA-N 1 2 239.319 1.375 20 0 BDADLO C[C@@H]1OCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001261569981 992387802 /nfs/dbraw/zinc/38/78/02/992387802.db2.gz ACYWCHAWQDEBTF-JGVFFNPUSA-N 1 2 211.265 1.024 20 0 BDADLO COC/C(C)=C/c1nnc(C[NH+](C)C)o1 ZINC001261575858 992395518 /nfs/dbraw/zinc/39/55/18/992395518.db2.gz WKRMFMPAYANUKB-VMPITWQZSA-N 1 2 211.265 1.181 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261667167 992447340 /nfs/dbraw/zinc/44/73/40/992447340.db2.gz NCMHHQGDOIIWGV-VHSXEESVSA-N 1 2 225.292 1.633 20 0 BDADLO CCC(C)(C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001321122061 992461052 /nfs/dbraw/zinc/46/10/52/992461052.db2.gz AILOMHCMZHEJLF-JTQLQIEISA-N 1 2 223.320 1.997 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](F)C2)nc(N)[nH+]1 ZINC001261851072 992543419 /nfs/dbraw/zinc/54/34/19/992543419.db2.gz HWWYMJZEDCVAIC-JGVFFNPUSA-N 1 2 225.271 1.455 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H](F)C2)[nH+]1 ZINC001261851072 992543429 /nfs/dbraw/zinc/54/34/29/992543429.db2.gz HWWYMJZEDCVAIC-JGVFFNPUSA-N 1 2 225.271 1.455 20 0 BDADLO Cc1nn(CC[NH+]2CCOCC2)c2c1CCC2 ZINC001261890727 992566454 /nfs/dbraw/zinc/56/64/54/992566454.db2.gz MTBQSDKSMUQCJT-UHFFFAOYSA-N 1 2 235.331 1.012 20 0 BDADLO CC1=C(C(=O)N=S2(=O)CC[NH2+]CC2)CCC1 ZINC001573625849 992655356 /nfs/dbraw/zinc/65/53/56/992655356.db2.gz LUVDSJVXWLFQLL-UHFFFAOYSA-N 1 2 242.344 1.085 20 0 BDADLO Cc1ncoc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001262347602 992849236 /nfs/dbraw/zinc/84/92/36/992849236.db2.gz JVJXEIHWZLWKNJ-RKDXNWHRSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1ncoc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001262347602 992849238 /nfs/dbraw/zinc/84/92/38/992849238.db2.gz JVJXEIHWZLWKNJ-RKDXNWHRSA-N 1 2 246.270 1.126 20 0 BDADLO C[C@@H]([NH2+]C[C@H](C)O)c1noc(C(F)F)n1 ZINC001262571871 992926539 /nfs/dbraw/zinc/92/65/39/992926539.db2.gz FJROSLVRKJLLIG-CRCLSJGQSA-N 1 2 221.207 1.039 20 0 BDADLO COC[C@@H]1CN(c2cc(F)cc(C)[nH+]2)CCO1 ZINC001262684158 993025326 /nfs/dbraw/zinc/02/53/26/993025326.db2.gz KOQJVEHEYCRRDP-NSHDSACASA-N 1 2 240.278 1.381 20 0 BDADLO Cc1cc(F)cc(N(C)[C@@H](C)CCO)[nH+]1 ZINC001262700973 993040678 /nfs/dbraw/zinc/04/06/78/993040678.db2.gz XXKKEQJKZMBZMY-VIFPVBQESA-N 1 2 212.268 1.736 20 0 BDADLO Cc1cc(C(=O)Nc2c(C)c[nH+]cc2C)on1 ZINC001262805587 993068438 /nfs/dbraw/zinc/06/84/38/993068438.db2.gz WBCVCVZGDSALIW-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC001262805274 993069886 /nfs/dbraw/zinc/06/98/86/993069886.db2.gz LGWXPCMKHOONKW-SDDRHHMPSA-N 1 2 248.326 1.872 20 0 BDADLO CC[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000585378409 993261512 /nfs/dbraw/zinc/26/15/12/993261512.db2.gz CIDUYYIOQUDDLN-LBPRGKRZSA-N 1 2 239.340 1.555 20 0 BDADLO CC[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000585378409 993261527 /nfs/dbraw/zinc/26/15/27/993261527.db2.gz CIDUYYIOQUDDLN-LBPRGKRZSA-N 1 2 239.340 1.555 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000379745541 993275405 /nfs/dbraw/zinc/27/54/05/993275405.db2.gz TYOZWNDFGJRPJK-BXKDBHETSA-N 1 2 234.299 1.306 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000379745541 993275413 /nfs/dbraw/zinc/27/54/13/993275413.db2.gz TYOZWNDFGJRPJK-BXKDBHETSA-N 1 2 234.299 1.306 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1nc(C)oc1C ZINC001263662589 993455099 /nfs/dbraw/zinc/45/50/99/993455099.db2.gz GMZQQLOJCQLUAB-UHFFFAOYSA-N 1 2 249.270 1.865 20 0 BDADLO CC[C@H](OC)C(=O)OCc1c[nH+]cn1CC ZINC001263663062 993455181 /nfs/dbraw/zinc/45/51/81/993455181.db2.gz STXXLVJDWVSKDO-JTQLQIEISA-N 1 2 226.276 1.371 20 0 BDADLO Cc1cocc1C(=O)NCCc1[nH+]ccn1C ZINC001263921637 993606153 /nfs/dbraw/zinc/60/61/53/993606153.db2.gz ACDXKTVSCXSULS-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO O=C(C1CC1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001263967736 993633799 /nfs/dbraw/zinc/63/37/99/993633799.db2.gz ZFVOMYSWSKBMCW-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO CC(C)C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001263967559 993634272 /nfs/dbraw/zinc/63/42/72/993634272.db2.gz SYDOQOXBIKQTKA-UHFFFAOYSA-N 1 2 235.331 1.847 20 0 BDADLO Nc1ncc(C[N@@H+]2CCCC[C@H](F)C2)cn1 ZINC000390251870 993778982 /nfs/dbraw/zinc/77/89/82/993778982.db2.gz KYMNFKQBYYNOOH-JTQLQIEISA-N 1 2 224.283 1.213 20 0 BDADLO Nc1ncc(C[N@H+]2CCCC[C@H](F)C2)cn1 ZINC000390251870 993778986 /nfs/dbraw/zinc/77/89/86/993778986.db2.gz KYMNFKQBYYNOOH-JTQLQIEISA-N 1 2 224.283 1.213 20 0 BDADLO CCOC(=O)C1([NH2+]CC(C)(C)O)CCCC1 ZINC000390403051 993784269 /nfs/dbraw/zinc/78/42/69/993784269.db2.gz AMFGPBGXDZHMDX-UHFFFAOYSA-N 1 2 229.320 1.223 20 0 BDADLO O=C1SCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000390784622 993802031 /nfs/dbraw/zinc/80/20/31/993802031.db2.gz NFPMHFQYOAMXBS-WDEREUQCSA-N 1 2 237.324 1.342 20 0 BDADLO CN1CCOC[C@H]1CNc1ccc2c([nH+]1)CCC2 ZINC000700196849 993823451 /nfs/dbraw/zinc/82/34/51/993823451.db2.gz DTMKUXSZRLDZKA-GFCCVEGCSA-N 1 2 247.342 1.313 20 0 BDADLO CCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC000700372810 993832864 /nfs/dbraw/zinc/83/28/64/993832864.db2.gz DIEFUULFRVLTSG-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO COc1ccc[nH+]c1NCc1ccc(=O)[nH]c1 ZINC000392711749 993880757 /nfs/dbraw/zinc/88/07/57/993880757.db2.gz KVWOVFKATNTDDW-UHFFFAOYSA-N 1 2 231.255 1.803 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)c2nccn21 ZINC000393055738 993897588 /nfs/dbraw/zinc/89/75/88/993897588.db2.gz MGRUDFLSPTWJLQ-MWLCHTKSSA-N 1 2 248.330 1.005 20 0 BDADLO C[NH+]1CC(NC(=O)Oc2ccccc2)C1 ZINC000393602328 993972533 /nfs/dbraw/zinc/97/25/33/993972533.db2.gz UUIUSEWQYYHONG-UHFFFAOYSA-N 1 2 206.245 1.089 20 0 BDADLO CCC[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001280399334 994107044 /nfs/dbraw/zinc/10/70/44/994107044.db2.gz LJXNDXXVGVGDQG-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001280399334 994107053 /nfs/dbraw/zinc/10/70/53/994107053.db2.gz LJXNDXXVGVGDQG-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@]([NH2+]CCCn1cc[nH+]c1)(C(=O)[O-])C1CC1 ZINC001593267332 994588305 /nfs/dbraw/zinc/58/83/05/994588305.db2.gz OMGSPYPNLXESMK-GFCCVEGCSA-N 1 2 237.303 1.116 20 0 BDADLO C[C@H](C(=O)N1CCOCC[C@H]1C)n1cc[nH+]c1 ZINC001334806271 994640110 /nfs/dbraw/zinc/64/01/10/994640110.db2.gz ODDXBUIUEUHMPC-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1CCC1 ZINC001296034072 994796709 /nfs/dbraw/zinc/79/67/09/994796709.db2.gz RQBUPNVAMLKJNE-MRVPVSSYSA-N 1 2 221.304 1.565 20 0 BDADLO CC[C@H](NC(=O)C[NH+]1CCCC1)C(F)(F)F ZINC001296640887 994827750 /nfs/dbraw/zinc/82/77/50/994827750.db2.gz ZCMJGJJWPFKNNF-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001335801386 994871138 /nfs/dbraw/zinc/87/11/38/994871138.db2.gz DEVSMZIJTVHQRW-VIFPVBQESA-N 1 2 246.270 1.038 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2C[C@@H]2F)[nH+]1 ZINC001304108563 995189254 /nfs/dbraw/zinc/18/92/54/995189254.db2.gz VYVDFEPANYTKSA-BDAKNGLRSA-N 1 2 225.267 1.507 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2C[C@@H]2F)c[nH+]1 ZINC001304108563 995189258 /nfs/dbraw/zinc/18/92/58/995189258.db2.gz VYVDFEPANYTKSA-BDAKNGLRSA-N 1 2 225.267 1.507 20 0 BDADLO O=c1nc(NCCn2cc[nH+]c2)cc(Cl)[nH]1 ZINC001306912028 995270551 /nfs/dbraw/zinc/27/05/51/995270551.db2.gz CRNHNSNURTZUQM-UHFFFAOYSA-N 1 2 239.666 1.144 20 0 BDADLO CCC1(O)CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001307499656 995385601 /nfs/dbraw/zinc/38/56/01/995385601.db2.gz MZGBVDBZJURSKA-SECBINFHSA-N 1 2 238.335 1.411 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619366751 343977996 /nfs/dbraw/zinc/97/79/96/343977996.db2.gz IKCYZSAQYXDYEI-NXEZZACHSA-N 1 2 219.288 1.129 20 0 BDADLO CCC(CC)(C[NH2+]Cc1ccn[nH]1)OC ZINC000291653514 168325270 /nfs/dbraw/zinc/32/52/70/168325270.db2.gz DBRIFMJVTUAMQO-UHFFFAOYSA-N 1 2 211.309 1.705 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000649863277 398144881 /nfs/dbraw/zinc/14/48/81/398144881.db2.gz BIXNINZBAJXUGV-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000649863277 398144884 /nfs/dbraw/zinc/14/48/84/398144884.db2.gz BIXNINZBAJXUGV-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncn(C)n2)s1 ZINC000092851406 398144277 /nfs/dbraw/zinc/14/42/77/398144277.db2.gz OIUXRHCHSMLKGK-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CCC(CC)([NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)OC ZINC000338353088 168331350 /nfs/dbraw/zinc/33/13/50/168331350.db2.gz YCPUMKFKGLSRSH-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO CCSCCCNc1nc[nH+]c(N)c1OC ZINC000300993985 349498482 /nfs/dbraw/zinc/49/84/82/349498482.db2.gz WOISXHSZCTZZHA-UHFFFAOYSA-N 1 2 242.348 1.623 20 0 BDADLO CCSCCCNc1[nH+]cnc(N)c1OC ZINC000300993985 349498486 /nfs/dbraw/zinc/49/84/86/349498486.db2.gz WOISXHSZCTZZHA-UHFFFAOYSA-N 1 2 242.348 1.623 20 0 BDADLO C[C@@H](F)CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000338743809 398148892 /nfs/dbraw/zinc/14/88/92/398148892.db2.gz AUZBINZVUYLIAY-SECBINFHSA-N 1 2 238.310 1.880 20 0 BDADLO C[C@@H](F)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000338743809 398148897 /nfs/dbraw/zinc/14/88/97/398148897.db2.gz AUZBINZVUYLIAY-SECBINFHSA-N 1 2 238.310 1.880 20 0 BDADLO Cc1cc(C[N@@H+]2CCS[C@H](C)C2)nn1C ZINC000336647024 177998526 /nfs/dbraw/zinc/99/85/26/177998526.db2.gz LRQBJHIOAJUXSE-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cc(C[N@H+]2CCS[C@H](C)C2)nn1C ZINC000336647024 177998527 /nfs/dbraw/zinc/99/85/27/177998527.db2.gz LRQBJHIOAJUXSE-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cs1 ZINC000309336817 178007684 /nfs/dbraw/zinc/00/76/84/178007684.db2.gz UJQFHTFEPVVGGP-JOYOIKCWSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cs1 ZINC000309336817 178007685 /nfs/dbraw/zinc/00/76/85/178007685.db2.gz UJQFHTFEPVVGGP-JOYOIKCWSA-N 1 2 241.356 1.638 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)[C@@H](C)CCO ZINC000649869893 398157062 /nfs/dbraw/zinc/15/70/62/398157062.db2.gz OPIACBQGUIVOTL-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@@H](C)CCO ZINC000649869893 398157063 /nfs/dbraw/zinc/15/70/63/398157063.db2.gz OPIACBQGUIVOTL-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649898809 398169307 /nfs/dbraw/zinc/16/93/07/398169307.db2.gz AMUQQSZDQHYERE-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649898809 398169312 /nfs/dbraw/zinc/16/93/12/398169312.db2.gz AMUQQSZDQHYERE-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CCO)c2ccco2)no1 ZINC000185104554 178031226 /nfs/dbraw/zinc/03/12/26/178031226.db2.gz IXWRRLMDVJKMGU-NSHDSACASA-N 1 2 236.271 1.789 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nccn2C)on1 ZINC000070008144 178038688 /nfs/dbraw/zinc/03/86/88/178038688.db2.gz FYZYTNWRTFODPP-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc(CN[C@H](C)c2[nH+]ccn2C)on1 ZINC000070008144 178038690 /nfs/dbraw/zinc/03/86/90/178038690.db2.gz FYZYTNWRTFODPP-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO CC[C@@H](NC(=O)c1ccccn1)c1[nH]cc[nH+]1 ZINC000140501090 349510629 /nfs/dbraw/zinc/51/06/29/349510629.db2.gz AMEPXYCXWIXMEO-SECBINFHSA-N 1 2 230.271 1.686 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1csnn1)C2 ZINC000649908153 398184111 /nfs/dbraw/zinc/18/41/11/398184111.db2.gz IHQRDHLWWPLXOK-MRVPVSSYSA-N 1 2 231.271 1.769 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1csnn1)C2 ZINC000649908153 398184114 /nfs/dbraw/zinc/18/41/14/398184114.db2.gz IHQRDHLWWPLXOK-MRVPVSSYSA-N 1 2 231.271 1.769 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1cnn[nH]1)C2 ZINC000649907991 398182672 /nfs/dbraw/zinc/18/26/72/398182672.db2.gz DOOLOUHHMIHEEX-MRVPVSSYSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1cnn[nH]1)C2 ZINC000649907991 398182675 /nfs/dbraw/zinc/18/26/75/398182675.db2.gz DOOLOUHHMIHEEX-MRVPVSSYSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1c[nH]nn1)C2 ZINC000649907991 398182676 /nfs/dbraw/zinc/18/26/76/398182676.db2.gz DOOLOUHHMIHEEX-MRVPVSSYSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1c[nH]nn1)C2 ZINC000649907991 398182678 /nfs/dbraw/zinc/18/26/78/398182678.db2.gz DOOLOUHHMIHEEX-MRVPVSSYSA-N 1 2 214.219 1.036 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1cn[nH]n1)C2 ZINC000649907991 398182679 /nfs/dbraw/zinc/18/26/79/398182679.db2.gz DOOLOUHHMIHEEX-MRVPVSSYSA-N 1 2 214.219 1.036 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](C)O)cs1 ZINC000245456609 398165318 /nfs/dbraw/zinc/16/53/18/398165318.db2.gz BKMHGUPHZDSXEQ-BDAKNGLRSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](C)O)cs1 ZINC000245456609 398165325 /nfs/dbraw/zinc/16/53/25/398165325.db2.gz BKMHGUPHZDSXEQ-BDAKNGLRSA-N 1 2 244.360 1.663 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccncc1F ZINC000086316698 398165349 /nfs/dbraw/zinc/16/53/49/398165349.db2.gz NEGFIYYTBUPTRO-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1cn[nH]n1)C2 ZINC000649907991 398182681 /nfs/dbraw/zinc/18/26/81/398182681.db2.gz DOOLOUHHMIHEEX-MRVPVSSYSA-N 1 2 214.219 1.036 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC(=O)OC)[C@@H](C)CC ZINC000411483438 398182819 /nfs/dbraw/zinc/18/28/19/398182819.db2.gz VKNOELKOWDJOJG-ONGXEEELSA-N 1 2 245.319 1.117 20 0 BDADLO C[C@H](CC(=O)N1CC=CCC1)n1cc[nH+]c1 ZINC000649912171 398186004 /nfs/dbraw/zinc/18/60/04/398186004.db2.gz YFSXUHBDVSLYHC-LLVKDONJSA-N 1 2 219.288 1.623 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000271114648 538923617 /nfs/dbraw/zinc/92/36/17/538923617.db2.gz GPISWPINJLMDES-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000271114648 538923618 /nfs/dbraw/zinc/92/36/18/538923618.db2.gz GPISWPINJLMDES-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cnccn1 ZINC000342438170 398190588 /nfs/dbraw/zinc/19/05/88/398190588.db2.gz UMIYMIFLPXYKHG-SECBINFHSA-N 1 2 232.262 1.862 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC000647966642 398192612 /nfs/dbraw/zinc/19/26/12/398192612.db2.gz BMWOYHMGJRSABS-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC000647966642 398192614 /nfs/dbraw/zinc/19/26/14/398192614.db2.gz BMWOYHMGJRSABS-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(N(C)CC(=O)N(C)C)nc(C2CC2)[nH+]1 ZINC000264624813 178095983 /nfs/dbraw/zinc/09/59/83/178095983.db2.gz JFXXYIPZMALJIA-UHFFFAOYSA-N 1 2 248.330 1.187 20 0 BDADLO C[C@@H]1OCCN(c2cc(CO)cc[nH+]2)[C@H]1C ZINC000380379059 398194563 /nfs/dbraw/zinc/19/45/63/398194563.db2.gz MGIBQCYASXJXHJ-UWVGGRQHSA-N 1 2 222.288 1.188 20 0 BDADLO COc1cccc(C[NH2+]Cc2cnn[nH]2)c1OC ZINC000398292493 398195056 /nfs/dbraw/zinc/19/50/56/398195056.db2.gz GYNKWQLUIRGTOG-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO Cc1cc(N)nc(S[C@H](C)[C@@H](C)O)[nH+]1 ZINC000131984700 178109352 /nfs/dbraw/zinc/10/93/52/178109352.db2.gz GZILAOYRSWGGSI-RNFRBKRXSA-N 1 2 213.306 1.229 20 0 BDADLO c1c(C[N@H+]2[C@H]3C=CC[C@@H]2CC3)nnn1CC1CC1 ZINC000649394705 398198847 /nfs/dbraw/zinc/19/88/47/398198847.db2.gz CQKDRXRYJYYUEJ-UONOGXRCSA-N 1 2 244.342 1.981 20 0 BDADLO c1c(C[N@@H+]2[C@H]3C=CC[C@@H]2CC3)nnn1CC1CC1 ZINC000649394705 398198851 /nfs/dbraw/zinc/19/88/51/398198851.db2.gz CQKDRXRYJYYUEJ-UONOGXRCSA-N 1 2 244.342 1.981 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC2(F)F)c1 ZINC000649377005 398185100 /nfs/dbraw/zinc/18/51/00/398185100.db2.gz RKXVLYBLYIFANZ-MRVPVSSYSA-N 1 2 241.241 1.741 20 0 BDADLO CC[N@H+](CCO)[C@H](C)c1nc(C2CC2)no1 ZINC000304229223 398185480 /nfs/dbraw/zinc/18/54/80/398185480.db2.gz HUZSRIOMCMBLCW-MRVPVSSYSA-N 1 2 225.292 1.322 20 0 BDADLO CC[N@@H+](CCO)[C@H](C)c1nc(C2CC2)no1 ZINC000304229223 398185484 /nfs/dbraw/zinc/18/54/84/398185484.db2.gz HUZSRIOMCMBLCW-MRVPVSSYSA-N 1 2 225.292 1.322 20 0 BDADLO Cc1cc(N2CCOC[C@@H](C)C2)nc[nH+]1 ZINC000338253672 178116842 /nfs/dbraw/zinc/11/68/42/178116842.db2.gz JCFHFZYGKVTNJD-VIFPVBQESA-N 1 2 207.277 1.258 20 0 BDADLO Cc1cc(N2CCC[C@H](O)CC2)nc[nH+]1 ZINC000338836290 178116852 /nfs/dbraw/zinc/11/68/52/178116852.db2.gz LXRMIFFLZYUHKL-JTQLQIEISA-N 1 2 207.277 1.136 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC3CCC2CC3)on1 ZINC000371387883 178129876 /nfs/dbraw/zinc/12/98/76/178129876.db2.gz KNRSDCVAAZQMCM-UHFFFAOYSA-N 1 2 249.314 1.796 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC3CCC2CC3)on1 ZINC000371387883 178129878 /nfs/dbraw/zinc/12/98/78/178129878.db2.gz KNRSDCVAAZQMCM-UHFFFAOYSA-N 1 2 249.314 1.796 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000649406337 398206747 /nfs/dbraw/zinc/20/67/47/398206747.db2.gz ZDJNAFVZIYMVEA-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000649406337 398206752 /nfs/dbraw/zinc/20/67/52/398206752.db2.gz ZDJNAFVZIYMVEA-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000649406337 398206753 /nfs/dbraw/zinc/20/67/53/398206753.db2.gz ZDJNAFVZIYMVEA-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C(N)=O)co2)cn1 ZINC000494456332 538926575 /nfs/dbraw/zinc/92/65/75/538926575.db2.gz XEROVOYPQBJVIS-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO Cc1cc(NC(=O)NCCC[C@@H](C)O)cc[nH+]1 ZINC000278794688 178139323 /nfs/dbraw/zinc/13/93/23/178139323.db2.gz MLQHKFSFTOMDMH-SNVBAGLBSA-N 1 2 237.303 1.673 20 0 BDADLO Cc1cc(NC(=O)N2CCO[C@@H](C)C2)cc[nH+]1 ZINC000179805101 178137494 /nfs/dbraw/zinc/13/74/94/178137494.db2.gz OVIJLVNUVSBEKW-JTQLQIEISA-N 1 2 235.287 1.643 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576290715 365554947 /nfs/dbraw/zinc/55/49/47/365554947.db2.gz NWGSIXRVEOZGCB-GXFFZTMASA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000119204669 178141104 /nfs/dbraw/zinc/14/11/04/178141104.db2.gz DMAICMCEYIZPOL-CMPLNLGQSA-N 1 2 249.314 1.673 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000271108269 178141354 /nfs/dbraw/zinc/14/13/54/178141354.db2.gz FRCHYYNICGEJCQ-NEPJUHHUSA-N 1 2 249.314 1.815 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CCC(=O)NC2)cc[nH+]1 ZINC000281477077 178148966 /nfs/dbraw/zinc/14/89/66/178148966.db2.gz VCDAPPRFVVEABS-CYBMUJFWSA-N 1 2 247.298 1.245 20 0 BDADLO Cc1ncoc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000338885266 187328684 /nfs/dbraw/zinc/32/86/84/187328684.db2.gz WIKACJXGOSQHFL-VIFPVBQESA-N 1 2 248.286 1.833 20 0 BDADLO Cc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000302033851 178165292 /nfs/dbraw/zinc/16/52/92/178165292.db2.gz OJGBZAGKOFVQRQ-JTQLQIEISA-N 1 2 246.314 1.208 20 0 BDADLO CCO[C@H]1CC[N@H+](CC(F)F)C[C@@H]1C ZINC000649990011 398209802 /nfs/dbraw/zinc/20/98/02/398209802.db2.gz IQWNCNRDIZOLSI-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO CCO[C@H]1CC[N@@H+](CC(F)F)C[C@@H]1C ZINC000649990011 398209805 /nfs/dbraw/zinc/20/98/05/398209805.db2.gz IQWNCNRDIZOLSI-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO Cc1cc(NCC(=O)NC2CCCCC2)nc[nH+]1 ZINC000301277303 178155279 /nfs/dbraw/zinc/15/52/79/178155279.db2.gz WSVNLWYJUMPBGT-UHFFFAOYSA-N 1 2 248.330 1.646 20 0 BDADLO Cc1cc(NCCCO)nc(-c2cccnc2)[nH+]1 ZINC000298779106 178159483 /nfs/dbraw/zinc/15/94/83/178159483.db2.gz HMAZTTLWIOSOBU-UHFFFAOYSA-N 1 2 244.298 1.641 20 0 BDADLO Cc1cc(NCCOCCO)nc(C2CC2)[nH+]1 ZINC000116259823 178162039 /nfs/dbraw/zinc/16/20/39/178162039.db2.gz WTJGLFUPJPPMSF-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO Cc1cc(NC[C@H](C)C(=O)OC(C)C)nc[nH+]1 ZINC000301471190 178168344 /nfs/dbraw/zinc/16/83/44/178168344.db2.gz PEWBFNXINYNCRX-VIFPVBQESA-N 1 2 237.303 1.785 20 0 BDADLO Cc1cc(NC[C@H]2CCSC2)nc[nH+]1 ZINC000228584303 178170780 /nfs/dbraw/zinc/17/07/80/178170780.db2.gz IUJQHKZMUFZXFO-SECBINFHSA-N 1 2 209.318 1.950 20 0 BDADLO C[C@@H](NC1(C(F)F)CC1)c1[nH+]ccn1C ZINC000336767048 398222545 /nfs/dbraw/zinc/22/25/45/398222545.db2.gz STZOFCISVVFLLP-SSDOTTSWSA-N 1 2 215.247 1.868 20 0 BDADLO Cc1cc(N[C@H]2CCC(=O)NC2)nc(C(C)C)[nH+]1 ZINC000111021968 178188673 /nfs/dbraw/zinc/18/86/73/178188673.db2.gz QEJUWGKKLUYLIN-JTQLQIEISA-N 1 2 248.330 1.599 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC000075620616 398224195 /nfs/dbraw/zinc/22/41/95/398224195.db2.gz SNIWIOKVRLXZDE-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC000075620616 398224198 /nfs/dbraw/zinc/22/41/98/398224198.db2.gz SNIWIOKVRLXZDE-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cc(N[C@H](CO)C(C)(C)C)nc[nH+]1 ZINC000302061423 178187868 /nfs/dbraw/zinc/18/78/68/178187868.db2.gz TXBCOVQLKSZCIP-SECBINFHSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(N[C@H]2CC(=O)N(C)C2)nc(C2CC2)[nH+]1 ZINC000265373244 178187970 /nfs/dbraw/zinc/18/79/70/178187970.db2.gz OYQNQFHKDAKUHL-JTQLQIEISA-N 1 2 246.314 1.305 20 0 BDADLO Cc1cc(N[C@H]2CCOC2(C)C)nc[nH+]1 ZINC000336887934 178189728 /nfs/dbraw/zinc/18/97/28/178189728.db2.gz DPDDKMMSHBIXDT-VIFPVBQESA-N 1 2 207.277 1.764 20 0 BDADLO Cc1cc(N[C@H]2CCN(C(=O)C(C)C)C2)nc[nH+]1 ZINC000301674412 178189803 /nfs/dbraw/zinc/18/98/03/178189803.db2.gz RRMOQHSYVCMUOS-NSHDSACASA-N 1 2 248.330 1.454 20 0 BDADLO Cc1cc([NH2+][C@H]2CCS(=O)(=O)C2)ccc1N ZINC000035277738 178190819 /nfs/dbraw/zinc/19/08/19/178190819.db2.gz YZRPLGWRKZSMEV-JTQLQIEISA-N 1 2 240.328 1.176 20 0 BDADLO CSC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000265439749 187332394 /nfs/dbraw/zinc/33/23/94/187332394.db2.gz JYQJMTBPNAEWEB-SECBINFHSA-N 1 2 227.333 1.141 20 0 BDADLO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000421382457 192325897 /nfs/dbraw/zinc/32/58/97/192325897.db2.gz XQNRNXPQYPRQIT-WPRPVWTQSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000421382457 192325900 /nfs/dbraw/zinc/32/59/00/192325900.db2.gz XQNRNXPQYPRQIT-WPRPVWTQSA-N 1 2 245.273 1.623 20 0 BDADLO CC[C@H]1C[NH+](Cc2cncnc2)C[C@H](CC)O1 ZINC000421385851 192326807 /nfs/dbraw/zinc/32/68/07/192326807.db2.gz GRPMEIJJPMMDKT-STQMWFEESA-N 1 2 235.331 1.866 20 0 BDADLO CCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819057 361772237 /nfs/dbraw/zinc/77/22/37/361772237.db2.gz UEQFWYDIXOIOOL-UHFFFAOYSA-N 1 2 210.281 1.351 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCC12CCC2 ZINC000334232937 136224318 /nfs/dbraw/zinc/22/43/18/136224318.db2.gz XDMSDCDWHFPDRW-UHFFFAOYSA-N 1 2 233.315 1.887 20 0 BDADLO Cc1nc(N2CCC[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631234018 361778469 /nfs/dbraw/zinc/77/84/69/361778469.db2.gz VGIUXPHBNPKDNX-SNVBAGLBSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](C(C)C)C2)[nH+]1 ZINC000631234018 361778470 /nfs/dbraw/zinc/77/84/70/361778470.db2.gz VGIUXPHBNPKDNX-SNVBAGLBSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2ccnn2C)no1 ZINC000330363988 178229049 /nfs/dbraw/zinc/22/90/49/178229049.db2.gz BLEUHQIPIQCQQG-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nnn(C)n2)ccc1F ZINC000279533363 178229744 /nfs/dbraw/zinc/22/97/44/178229744.db2.gz PKQALKFVQYSVDS-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cc1occc1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000277659287 538934030 /nfs/dbraw/zinc/93/40/30/538934030.db2.gz LNJIVJJWRUAASE-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cc1occc1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000277659287 538934031 /nfs/dbraw/zinc/93/40/31/538934031.db2.gz LNJIVJJWRUAASE-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CCC[C@H](C[N@H+](C)CC(=O)OCC)OC ZINC000602439449 349526423 /nfs/dbraw/zinc/52/64/23/349526423.db2.gz CVOHKVDDPSSPQX-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO CCC[C@H](C[N@@H+](C)CC(=O)OCC)OC ZINC000602439449 349526426 /nfs/dbraw/zinc/52/64/26/349526426.db2.gz CVOHKVDDPSSPQX-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000361683693 178239375 /nfs/dbraw/zinc/23/93/75/178239375.db2.gz DOAHLHLJVUXJBF-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000361683693 178239377 /nfs/dbraw/zinc/23/93/77/178239377.db2.gz DOAHLHLJVUXJBF-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n[nH]1 ZINC000361683693 178239380 /nfs/dbraw/zinc/23/93/80/178239380.db2.gz DOAHLHLJVUXJBF-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n[nH]1 ZINC000361683693 178239381 /nfs/dbraw/zinc/23/93/81/178239381.db2.gz DOAHLHLJVUXJBF-LLVKDONJSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cccc(CC[NH2+]Cc2ccn[nH]2)n1 ZINC000280742919 538937534 /nfs/dbraw/zinc/93/75/34/538937534.db2.gz ZYKPJJAXBROAIW-UHFFFAOYSA-N 1 2 216.288 1.445 20 0 BDADLO Cc1nc(N(C)Cc2cccnc2)cc[nH+]1 ZINC000266166053 187332808 /nfs/dbraw/zinc/33/28/08/187332808.db2.gz PKMDMXXNMXZEDN-UHFFFAOYSA-N 1 2 214.272 1.816 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2c[nH]nc2C)no1 ZINC000282814983 178251194 /nfs/dbraw/zinc/25/11/94/178251194.db2.gz YDOYCJWIUISOQL-VIFPVBQESA-N 1 2 220.276 1.865 20 0 BDADLO CCCCOCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000279622130 538935850 /nfs/dbraw/zinc/93/58/50/538935850.db2.gz GYSUBJQHCWPVHA-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CCCCOCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000279622130 538935851 /nfs/dbraw/zinc/93/58/51/538935851.db2.gz GYSUBJQHCWPVHA-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cncn2C)nn1C ZINC000340399946 178252456 /nfs/dbraw/zinc/25/24/56/178252456.db2.gz GQXKUWRVVLTOIV-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cnn(C)c2)no1 ZINC000309781901 178252650 /nfs/dbraw/zinc/25/26/50/178252650.db2.gz NCQKKNBFTRDSSI-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cnnn2C)on1 ZINC000329091835 178265780 /nfs/dbraw/zinc/26/57/80/178265780.db2.gz XBDZOEKTXMWJLO-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnnn2C)on1 ZINC000329091835 178265782 /nfs/dbraw/zinc/26/57/82/178265782.db2.gz XBDZOEKTXMWJLO-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cc(N2CC[S@@](=O)CC[C@H]2C)nc[nH+]1 ZINC000432860175 398239011 /nfs/dbraw/zinc/23/90/11/398239011.db2.gz QXCKLKZCZBBEGV-HWPZZCPQSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1cc(N(C)[C@H](CO)COC(C)C)nc[nH+]1 ZINC000432866331 398239282 /nfs/dbraw/zinc/23/92/82/398239282.db2.gz LLTFUGAOLDNXNZ-LLVKDONJSA-N 1 2 239.319 1.007 20 0 BDADLO CCc1cc(N(CC)[C@@H]2CCNC2=O)nc(C)[nH+]1 ZINC000281616595 538939080 /nfs/dbraw/zinc/93/90/80/538939080.db2.gz JRMHFNFZPHUORM-LLVKDONJSA-N 1 2 248.330 1.062 20 0 BDADLO CCC(CC)C[NH2+][C@H](COC)C(=O)OC ZINC000308945501 168364770 /nfs/dbraw/zinc/36/47/70/168364770.db2.gz NOIUIKIXHJGKDG-SNVBAGLBSA-N 1 2 217.309 1.200 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCC1(C)C)c1c[nH]c[nH+]1 ZINC000561753436 323006345 /nfs/dbraw/zinc/00/63/45/323006345.db2.gz KLQIYVRMLMOQJS-VIFPVBQESA-N 1 2 235.331 1.992 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291344759 538947652 /nfs/dbraw/zinc/94/76/52/538947652.db2.gz WXZFNDQURRFCPM-NXEZZACHSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H](CNC(=O)C12CC(C1)C2)Cn1cc[nH+]c1 ZINC000625751552 398254392 /nfs/dbraw/zinc/25/43/92/398254392.db2.gz JHRPCYIOFPESFT-XSRFYTQQSA-N 1 2 233.315 1.436 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1=CCCCCC1 ZINC000291164523 538947328 /nfs/dbraw/zinc/94/73/28/538947328.db2.gz IDZVOXWTWAFERA-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2c[nH+]cn2C)o1 ZINC000291475544 538947949 /nfs/dbraw/zinc/94/79/49/538947949.db2.gz PNCYLWSGEUENGV-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)s1 ZINC000291457436 538948041 /nfs/dbraw/zinc/94/80/41/538948041.db2.gz NUFAYIAMMUUWEN-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291469053 538948095 /nfs/dbraw/zinc/94/80/95/538948095.db2.gz OYHODBQBLWIHCW-UWVGGRQHSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CCCC1 ZINC000291521426 538948240 /nfs/dbraw/zinc/94/82/40/538948240.db2.gz VBLVVFPDHZTFSL-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO CC(C)[C@@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000649466886 398267833 /nfs/dbraw/zinc/26/78/33/398267833.db2.gz RPIXUECHXRBOEA-NSHDSACASA-N 1 2 243.314 1.897 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000336240877 178391807 /nfs/dbraw/zinc/39/18/07/178391807.db2.gz IBSIVZKSZICOBM-VIFPVBQESA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)s1 ZINC000336240877 178391813 /nfs/dbraw/zinc/39/18/13/178391813.db2.gz IBSIVZKSZICOBM-VIFPVBQESA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cncnc2)s1 ZINC000179380586 538954889 /nfs/dbraw/zinc/95/48/89/538954889.db2.gz XGAXYKGNHIINTJ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cncnc2)s1 ZINC000179380586 538954890 /nfs/dbraw/zinc/95/48/90/538954890.db2.gz XGAXYKGNHIINTJ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO CCCN(CC(=O)OCC)Cc1[nH]cc(C)[nH+]1 ZINC000600114678 342672449 /nfs/dbraw/zinc/67/24/49/342672449.db2.gz IWQLXLJFGYFEKC-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000399747427 342742451 /nfs/dbraw/zinc/74/24/51/342742451.db2.gz KSBYKTIYIVRNPA-XHNCKOQMSA-N 1 2 236.319 1.548 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000399747427 342742453 /nfs/dbraw/zinc/74/24/53/342742453.db2.gz KSBYKTIYIVRNPA-XHNCKOQMSA-N 1 2 236.319 1.548 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccno2)cc1O ZINC000231881261 342742576 /nfs/dbraw/zinc/74/25/76/342742576.db2.gz HJQSKEHYSGJXGY-UHFFFAOYSA-N 1 2 234.255 1.679 20 0 BDADLO COC(=O)C1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000309609373 342744268 /nfs/dbraw/zinc/74/42/68/342744268.db2.gz ZNQOJCKNOZGSCJ-UHFFFAOYSA-N 1 2 223.276 1.553 20 0 BDADLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cs1 ZINC000583943420 342729382 /nfs/dbraw/zinc/72/93/82/342729382.db2.gz JIGITKXXQDYZQB-MRVPVSSYSA-N 1 2 239.344 1.730 20 0 BDADLO C[NH2+]Cc1noc(/C=C2\CC[C@@H](C)C2)n1 ZINC000309651307 342776177 /nfs/dbraw/zinc/77/61/77/342776177.db2.gz SVQODFHXMIUYKT-GTUWVTDSSA-N 1 2 207.277 1.992 20 0 BDADLO CC[C@@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488379170 529391598 /nfs/dbraw/zinc/39/15/98/529391598.db2.gz KXDQSUVKPSUGRK-RKDXNWHRSA-N 1 2 237.351 1.514 20 0 BDADLO CC[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379170 529391601 /nfs/dbraw/zinc/39/16/01/529391601.db2.gz KXDQSUVKPSUGRK-RKDXNWHRSA-N 1 2 237.351 1.514 20 0 BDADLO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000583970689 342785479 /nfs/dbraw/zinc/78/54/79/342785479.db2.gz QUCPJADAQMETNN-ZANVPECISA-N 1 2 243.314 1.233 20 0 BDADLO CC1(O)C[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000639254176 398285580 /nfs/dbraw/zinc/28/55/80/398285580.db2.gz MNZOJKUEXFERAG-UHFFFAOYSA-N 1 2 243.253 1.855 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CCOC1 ZINC000106886092 398286674 /nfs/dbraw/zinc/28/66/74/398286674.db2.gz HAMORCUHCNNOAL-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CCOC1 ZINC000106886092 398286676 /nfs/dbraw/zinc/28/66/76/398286676.db2.gz HAMORCUHCNNOAL-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO Cc1nc(N2CCO[C@@H](CCF)C2)cc[nH+]1 ZINC000624652228 342808565 /nfs/dbraw/zinc/80/85/65/342808565.db2.gz XKPILYJMZRPZOZ-JTQLQIEISA-N 1 2 225.267 1.350 20 0 BDADLO C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000394606997 342809085 /nfs/dbraw/zinc/80/90/85/342809085.db2.gz PZJYAYRZOHXGPV-UHFFFAOYSA-N 1 2 227.289 1.408 20 0 BDADLO CCc1nc(N2CCC[C@@H]2C(=O)NC)cc(C)[nH+]1 ZINC000286231022 342816557 /nfs/dbraw/zinc/81/65/57/342816557.db2.gz HOOQOGJIXKEOGK-SNVBAGLBSA-N 1 2 248.330 1.062 20 0 BDADLO CCn1nc(C)cc1-c1c[nH+]c(C)n1C ZINC000630052722 361920831 /nfs/dbraw/zinc/92/08/31/361920831.db2.gz JUUOQYVTOFZZHG-UHFFFAOYSA-N 1 2 204.277 1.920 20 0 BDADLO CO[C@H]1C[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC000624754747 342824824 /nfs/dbraw/zinc/82/48/24/342824824.db2.gz SPQZVFMKNWIQID-DTORHVGOSA-N 1 2 247.302 1.200 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000059639070 342834738 /nfs/dbraw/zinc/83/47/38/342834738.db2.gz ZGSIQFVESBMGRS-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000059639070 342834739 /nfs/dbraw/zinc/83/47/39/342834739.db2.gz ZGSIQFVESBMGRS-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO CCO[C@@H]1C[C@@](CO)([NH2+]CC(F)F)C1(C)C ZINC000189980851 538986328 /nfs/dbraw/zinc/98/63/28/538986328.db2.gz HZUZKEIMTVLBGJ-KCJUWKMLSA-N 1 2 237.290 1.407 20 0 BDADLO C[NH+](C)Cc1nc(C2(C)CCCC2)no1 ZINC000624759089 342826124 /nfs/dbraw/zinc/82/61/24/342826124.db2.gz VPUAKYWSEZHIPH-UHFFFAOYSA-N 1 2 209.293 1.963 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)nnc1C ZINC000380170409 538986881 /nfs/dbraw/zinc/98/68/81/538986881.db2.gz JMUIWACCXZCUOZ-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1ccnc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000188875176 538979934 /nfs/dbraw/zinc/97/99/34/538979934.db2.gz XTZDFDGGLSSDPB-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1ccnc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000188875176 538979936 /nfs/dbraw/zinc/97/99/36/538979936.db2.gz XTZDFDGGLSSDPB-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO COc1nccnc1C[NH+]1CC2(CC2)C1 ZINC000449371903 398292076 /nfs/dbraw/zinc/29/20/76/398292076.db2.gz ZWEOCQXYCJXPSL-UHFFFAOYSA-N 1 2 205.261 1.081 20 0 BDADLO CCn1cc[nH+]c1CNc1ccc(OC)cn1 ZINC000385319840 539013247 /nfs/dbraw/zinc/01/32/47/539013247.db2.gz IIVWVLHQCNBUSR-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000193339170 539004811 /nfs/dbraw/zinc/00/48/11/539004811.db2.gz VRXCQUVCXRRTGI-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000193339170 539004812 /nfs/dbraw/zinc/00/48/12/539004812.db2.gz VRXCQUVCXRRTGI-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)c(C)n1 ZINC000193498256 539006027 /nfs/dbraw/zinc/00/60/27/539006027.db2.gz NUCCEMDLBWRFHQ-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)c(C)n1 ZINC000193498256 539006029 /nfs/dbraw/zinc/00/60/29/539006029.db2.gz NUCCEMDLBWRFHQ-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Nc1[nH+]cnc(N[C@@H](CO)CC2CC2)c1Cl ZINC000381199767 538996191 /nfs/dbraw/zinc/99/61/91/538996191.db2.gz FEELICGXYWJRIK-SSDOTTSWSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(N[C@@H](CO)CC2CC2)c1Cl ZINC000381199767 538996192 /nfs/dbraw/zinc/99/61/92/538996192.db2.gz FEELICGXYWJRIK-SSDOTTSWSA-N 1 2 242.710 1.285 20 0 BDADLO CN(C)c1ccc(NCc2cn[nH]c2)c[nH+]1 ZINC000381331999 538998124 /nfs/dbraw/zinc/99/81/24/538998124.db2.gz UFWUNCWWUJDZPH-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000390477623 539021972 /nfs/dbraw/zinc/02/19/72/539021972.db2.gz LJRYGJPOHBFWIO-RNFRBKRXSA-N 1 2 221.264 1.513 20 0 BDADLO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccon1 ZINC000390583103 539026388 /nfs/dbraw/zinc/02/63/88/539026388.db2.gz XKOSIAINNXCHLJ-JOYOIKCWSA-N 1 2 221.304 1.247 20 0 BDADLO Cc1cc(NC(=O)NCCCCF)c(C)c[nH+]1 ZINC000562286875 323015001 /nfs/dbraw/zinc/01/50/01/323015001.db2.gz LCTZZUBKDKNPKD-UHFFFAOYSA-N 1 2 239.294 1.992 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000649501274 398298976 /nfs/dbraw/zinc/29/89/76/398298976.db2.gz BMUWMVRNBVXKPV-GHMZBOCLSA-N 1 2 248.330 1.036 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc(N2CCCC2)nc[nH+]1 ZINC000649501274 398298980 /nfs/dbraw/zinc/29/89/80/398298980.db2.gz BMUWMVRNBVXKPV-GHMZBOCLSA-N 1 2 248.330 1.036 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCSCCCO ZINC000134559627 342866165 /nfs/dbraw/zinc/86/61/65/342866165.db2.gz DVCBSGXVXATGEZ-SECBINFHSA-N 1 2 243.376 1.484 20 0 BDADLO C[C@H](CO)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000335646323 136243711 /nfs/dbraw/zinc/24/37/11/136243711.db2.gz CKCMSVZCPLUEIE-MRVPVSSYSA-N 1 2 237.278 1.529 20 0 BDADLO C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621893442 398310108 /nfs/dbraw/zinc/31/01/08/398310108.db2.gz LFNLAZNVDGESDU-VIFPVBQESA-N 1 2 221.304 1.698 20 0 BDADLO C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)OC(C)(C)C ZINC000312992772 259329032 /nfs/dbraw/zinc/32/90/32/259329032.db2.gz OFYITQIHDDQGKN-ZJUUUORDSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625213255 342914744 /nfs/dbraw/zinc/91/47/44/342914744.db2.gz QWOGHVVMGUENAF-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625213255 342914746 /nfs/dbraw/zinc/91/47/46/342914746.db2.gz QWOGHVVMGUENAF-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625213253 342914859 /nfs/dbraw/zinc/91/48/59/342914859.db2.gz QWOGHVVMGUENAF-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625213253 342914861 /nfs/dbraw/zinc/91/48/61/342914861.db2.gz QWOGHVVMGUENAF-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@H]1OCC[N@H+](CC(=O)NCC(C)(C)C)[C@H]1C ZINC000625222689 342919777 /nfs/dbraw/zinc/91/97/77/342919777.db2.gz GNBWVFWLUWINMT-QWRGUYRKSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1OCC[N@@H+](CC(=O)NCC(C)(C)C)[C@H]1C ZINC000625222689 342919779 /nfs/dbraw/zinc/91/97/79/342919779.db2.gz GNBWVFWLUWINMT-QWRGUYRKSA-N 1 2 242.363 1.258 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccns1 ZINC000602622095 349641141 /nfs/dbraw/zinc/64/11/41/349641141.db2.gz JOTGGZNJGWUEEV-LLVKDONJSA-N 1 2 240.328 1.671 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccns1 ZINC000602622095 349641143 /nfs/dbraw/zinc/64/11/43/349641143.db2.gz JOTGGZNJGWUEEV-LLVKDONJSA-N 1 2 240.328 1.671 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cncs2)[C@H](C)C1 ZINC000271159039 187335829 /nfs/dbraw/zinc/33/58/29/187335829.db2.gz CJVSXNAPKHXCCX-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cncs2)[C@H](C)C1 ZINC000271159039 187335830 /nfs/dbraw/zinc/33/58/30/187335830.db2.gz CJVSXNAPKHXCCX-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO C[C@H](O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336263871 398326436 /nfs/dbraw/zinc/32/64/36/398326436.db2.gz GCLWPBIWENJNHK-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336263871 398326438 /nfs/dbraw/zinc/32/64/38/398326438.db2.gz GCLWPBIWENJNHK-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493720269 529452645 /nfs/dbraw/zinc/45/26/45/529452645.db2.gz IFHGQWPUYRZPOL-OKWQPMOJSA-N 1 2 219.288 1.585 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)OC(C)(C)C2)[nH+]1 ZINC000628154330 398336265 /nfs/dbraw/zinc/33/62/65/398336265.db2.gz TVFMVLLLMUYUJK-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493495758 529456001 /nfs/dbraw/zinc/45/60/01/529456001.db2.gz OCXJJHXGEKTOBW-XIJCSBCJSA-N 1 2 233.315 1.831 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000355074738 398338561 /nfs/dbraw/zinc/33/85/61/398338561.db2.gz IXFUMLSXJYZLDD-ZYHUDNBSSA-N 1 2 241.331 1.510 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccon2)C1 ZINC000634974342 398339530 /nfs/dbraw/zinc/33/95/30/398339530.db2.gz YGMKFOQGUWYKGO-CQSZACIVSA-N 1 2 243.310 1.951 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccon2)C1 ZINC000634974342 398339531 /nfs/dbraw/zinc/33/95/31/398339531.db2.gz YGMKFOQGUWYKGO-CQSZACIVSA-N 1 2 243.310 1.951 20 0 BDADLO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccon2)C1 ZINC000634974342 398339532 /nfs/dbraw/zinc/33/95/32/398339532.db2.gz YGMKFOQGUWYKGO-CQSZACIVSA-N 1 2 243.310 1.951 20 0 BDADLO CCc1nnc(C[NH2+]CC2(F)CC2)s1 ZINC000308583839 346885799 /nfs/dbraw/zinc/88/57/99/346885799.db2.gz HQVNLSOJUYNIFH-UHFFFAOYSA-N 1 2 215.297 1.692 20 0 BDADLO CC(C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000351730918 136250409 /nfs/dbraw/zinc/25/04/09/136250409.db2.gz OIQDGPHXNOFOJN-LLVKDONJSA-N 1 2 223.320 1.682 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC1(C)C ZINC000234787806 342942360 /nfs/dbraw/zinc/94/23/60/342942360.db2.gz LGIAJMTVWREBEZ-ZETCQYMHSA-N 1 2 222.292 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC1(C)C ZINC000234787806 342942362 /nfs/dbraw/zinc/94/23/62/342942362.db2.gz LGIAJMTVWREBEZ-ZETCQYMHSA-N 1 2 222.292 1.525 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CC1(C)C ZINC000234788315 342942618 /nfs/dbraw/zinc/94/26/18/342942618.db2.gz LGIAJMTVWREBEZ-SSDOTTSWSA-N 1 2 222.292 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CC1(C)C ZINC000234788315 342942620 /nfs/dbraw/zinc/94/26/20/342942620.db2.gz LGIAJMTVWREBEZ-SSDOTTSWSA-N 1 2 222.292 1.525 20 0 BDADLO COC(=O)c1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000130086083 398340429 /nfs/dbraw/zinc/34/04/29/398340429.db2.gz DFFDHCHEUMILNM-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000130086083 398340430 /nfs/dbraw/zinc/34/04/30/398340430.db2.gz DFFDHCHEUMILNM-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)C[N@H+](Cc1cccnc1)C1CCCC1 ZINC000134877915 398341845 /nfs/dbraw/zinc/34/18/45/398341845.db2.gz GBLSKUMAPFNBSV-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccnc1)C1CCCC1 ZINC000134877915 398341846 /nfs/dbraw/zinc/34/18/46/398341846.db2.gz GBLSKUMAPFNBSV-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)OC ZINC000300363772 398343980 /nfs/dbraw/zinc/34/39/80/398343980.db2.gz FSFYVVPTBAHWMM-DCAQKATOSA-N 1 2 227.304 1.095 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCC[C@H]1CCO1 ZINC000602718211 349686701 /nfs/dbraw/zinc/68/67/01/349686701.db2.gz QWPOOOYHRVCFSP-JQWIXIFHSA-N 1 2 247.310 1.436 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@H]1CCOC1 ZINC000493186476 529502465 /nfs/dbraw/zinc/50/24/65/529502465.db2.gz HLDRQYANFBSTKR-UFFNRZRYSA-N 1 2 246.310 1.597 20 0 BDADLO COC(=O)[C@](C)([NH2+]CC=C(C)C)C1CC1 ZINC000380208538 346902621 /nfs/dbraw/zinc/90/26/21/346902621.db2.gz XPNXLVMKFZMYDJ-GFCCVEGCSA-N 1 2 211.305 1.884 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)[C@@H](C)OC ZINC000602695267 349691716 /nfs/dbraw/zinc/69/17/16/349691716.db2.gz NGWYQCPKGNKLER-KKZNHRDASA-N 1 2 229.320 1.341 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334154081 187205670 /nfs/dbraw/zinc/20/56/70/187205670.db2.gz QGOCWALVPSYLBO-SVRRBLITSA-N 1 2 240.225 1.299 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334154081 187205672 /nfs/dbraw/zinc/20/56/72/187205672.db2.gz QGOCWALVPSYLBO-SVRRBLITSA-N 1 2 240.225 1.299 20 0 BDADLO CC[C@@]1(C)COCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493081393 529532794 /nfs/dbraw/zinc/53/27/94/529532794.db2.gz GYKOMCXGGPOZCT-ZFDPJTLLSA-N 1 2 249.314 1.450 20 0 BDADLO Cc1cc(NCCN(C)CC(F)(F)F)nc[nH+]1 ZINC000351837071 136256475 /nfs/dbraw/zinc/25/64/75/136256475.db2.gz IBBYWXFVZOBSQZ-UHFFFAOYSA-N 1 2 248.252 1.113 20 0 BDADLO CC(C)(C)c1nc(NCCn2cc[nH+]c2)no1 ZINC000302165039 187206945 /nfs/dbraw/zinc/20/69/45/187206945.db2.gz ZRJGLPBDNRHDTP-UHFFFAOYSA-N 1 2 235.291 1.676 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(C(=O)OC)CC1 ZINC000496382934 529552626 /nfs/dbraw/zinc/55/26/26/529552626.db2.gz DZEZWKUESWGVML-SECBINFHSA-N 1 2 218.272 1.119 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NOCC1CC1 ZINC000492940437 529554791 /nfs/dbraw/zinc/55/47/91/529554791.db2.gz JTQRDODGTYOUDO-AATRIKPKSA-N 1 2 235.287 1.374 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cncnc1 ZINC000492570771 529556273 /nfs/dbraw/zinc/55/62/73/529556273.db2.gz XOTGJFIHLQGHNA-ONEGZZNKSA-N 1 2 243.270 1.345 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@]1(C)CCOC1 ZINC000493569970 529556332 /nfs/dbraw/zinc/55/63/32/529556332.db2.gz WSCFRTPNQXRVEN-MUBLQREKSA-N 1 2 249.314 1.211 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000493522059 529560316 /nfs/dbraw/zinc/56/03/16/529560316.db2.gz LIFQMJATXIWEKB-XXJOZFEBSA-N 1 2 249.314 1.210 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1CC(C)(C)CO1 ZINC000602767414 349723034 /nfs/dbraw/zinc/72/30/34/349723034.db2.gz DPDVZTFGRUUZQC-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CC(C)(C)CO1 ZINC000602767414 349723039 /nfs/dbraw/zinc/72/30/39/349723039.db2.gz DPDVZTFGRUUZQC-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000602768900 349723968 /nfs/dbraw/zinc/72/39/68/349723968.db2.gz WUQYBSHDZVCMTO-LBPRGKRZSA-N 1 2 232.331 1.668 20 0 BDADLO CCN(C#N)CC[N@H+]1CCn2cccc2[C@@H]1C ZINC000602768900 349723973 /nfs/dbraw/zinc/72/39/73/349723973.db2.gz WUQYBSHDZVCMTO-LBPRGKRZSA-N 1 2 232.331 1.668 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)OCC1CC1 ZINC000496905665 529576340 /nfs/dbraw/zinc/57/63/40/529576340.db2.gz CIDKLDBJUFWURJ-UHFFFAOYSA-N 1 2 223.276 1.539 20 0 BDADLO CC(C)COCCC(=O)NCc1[nH]cc[nH+]1 ZINC000114124839 187212832 /nfs/dbraw/zinc/21/28/32/187212832.db2.gz VGGSSEXOZJPGLT-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO CCOC(=O)[C@@]1(C)C[N@H+](CC2(F)CC2)CCO1 ZINC000602747021 349710818 /nfs/dbraw/zinc/71/08/18/349710818.db2.gz OJCVNGPGJWWTGS-LLVKDONJSA-N 1 2 245.294 1.143 20 0 BDADLO CCOC(=O)[C@@]1(C)C[N@@H+](CC2(F)CC2)CCO1 ZINC000602747021 349710820 /nfs/dbraw/zinc/71/08/20/349710820.db2.gz OJCVNGPGJWWTGS-LLVKDONJSA-N 1 2 245.294 1.143 20 0 BDADLO CCOC(=O)CC[N@H+](C)CC(F)(F)CC ZINC000602770988 349725349 /nfs/dbraw/zinc/72/53/49/349725349.db2.gz BSBJNUZEIULCJG-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CCOC(=O)CC[N@@H+](C)CC(F)(F)CC ZINC000602770988 349725351 /nfs/dbraw/zinc/72/53/51/349725351.db2.gz BSBJNUZEIULCJG-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO Cc1cccc2[nH]c(=NCc3c[nH+]cn3C)oc21 ZINC000357717433 187215041 /nfs/dbraw/zinc/21/50/41/187215041.db2.gz QYFWWERHSHHTOM-UHFFFAOYSA-N 1 2 242.282 1.904 20 0 BDADLO COC[C@@H](C)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC000381151210 344021878 /nfs/dbraw/zinc/02/18/78/344021878.db2.gz ARLLSVJGRPCWNG-ZJUUUORDSA-N 1 2 231.336 1.589 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000602801905 349741882 /nfs/dbraw/zinc/74/18/82/349741882.db2.gz VVCNPVWLZWPTJS-UHFFFAOYSA-N 1 2 223.320 1.044 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC2(CCC2)C1 ZINC000602801905 349741884 /nfs/dbraw/zinc/74/18/84/349741884.db2.gz VVCNPVWLZWPTJS-UHFFFAOYSA-N 1 2 223.320 1.044 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCOC(C)(C)C ZINC000308529703 259339970 /nfs/dbraw/zinc/33/99/70/259339970.db2.gz NNUKLMCMGLSOAI-UHFFFAOYSA-N 1 2 249.318 1.590 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1scnc1C ZINC000602776413 349729705 /nfs/dbraw/zinc/72/97/05/349729705.db2.gz PYWIPHOKMJHMSD-UHFFFAOYSA-N 1 2 238.360 1.686 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1scnc1C ZINC000602776413 349729707 /nfs/dbraw/zinc/72/97/07/349729707.db2.gz PYWIPHOKMJHMSD-UHFFFAOYSA-N 1 2 238.360 1.686 20 0 BDADLO CCOC(=O)c1cc(C[NH+]2CC(C)(C)C2)on1 ZINC000602751308 349730251 /nfs/dbraw/zinc/73/02/51/349730251.db2.gz GIBARYWAVPCCNW-UHFFFAOYSA-N 1 2 238.287 1.693 20 0 BDADLO Cc1[nH]c(C(=O)NCc2scnc2C)c[nH+]1 ZINC000335903188 136260257 /nfs/dbraw/zinc/26/02/57/136260257.db2.gz HKMANKOJIFBTJC-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000602829135 349766341 /nfs/dbraw/zinc/76/63/41/349766341.db2.gz PUYAPMGJYVYVQR-LLVKDONJSA-N 1 2 249.318 1.318 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000602829135 349766344 /nfs/dbraw/zinc/76/63/44/349766344.db2.gz PUYAPMGJYVYVQR-LLVKDONJSA-N 1 2 249.318 1.318 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000362851553 187219813 /nfs/dbraw/zinc/21/98/13/187219813.db2.gz FZJDLVXFAZDTAO-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000362851553 187219814 /nfs/dbraw/zinc/21/98/14/187219814.db2.gz FZJDLVXFAZDTAO-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1nc(N[C@H](C)C(=O)NC(C)C)cc[nH+]1 ZINC000162570796 349752638 /nfs/dbraw/zinc/75/26/38/349752638.db2.gz DHCRAGLWUHKUBD-MRVPVSSYSA-N 1 2 222.292 1.110 20 0 BDADLO CC1(C)CCCC[C@@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634625982 343030502 /nfs/dbraw/zinc/03/05/02/343030502.db2.gz TZZVHKZDIMRSDD-PWSUYJOCSA-N 1 2 249.358 1.763 20 0 BDADLO CC1(C)CCC[C@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634626111 343031036 /nfs/dbraw/zinc/03/10/36/343031036.db2.gz XEWLXJGUZXXEER-MWLCHTKSSA-N 1 2 235.331 1.373 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCCOCC1 ZINC000371722064 187222585 /nfs/dbraw/zinc/22/25/85/187222585.db2.gz PXMDREWCPBYOFJ-ZDUSSCGKSA-N 1 2 249.310 1.623 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CCCOCC1 ZINC000371722064 187222587 /nfs/dbraw/zinc/22/25/87/187222587.db2.gz PXMDREWCPBYOFJ-ZDUSSCGKSA-N 1 2 249.310 1.623 20 0 BDADLO COC(=O)c1cnc([C@H](C)[NH2+]CC(C)=O)s1 ZINC000602845541 349782403 /nfs/dbraw/zinc/78/24/03/349782403.db2.gz JQPFRUIPFMWIKL-ZETCQYMHSA-N 1 2 242.300 1.169 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H]1C1CC1 ZINC000634633294 343044915 /nfs/dbraw/zinc/04/49/15/343044915.db2.gz QLNOTQDAAJSZMY-LBPRGKRZSA-N 1 2 246.314 1.518 20 0 BDADLO c1ccc(NCCc2nnc3n2CCC3)[nH+]c1 ZINC000576832961 365697141 /nfs/dbraw/zinc/69/71/41/365697141.db2.gz XZBJHRYTMUPMOQ-UHFFFAOYSA-N 1 2 229.287 1.274 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000184808303 187228608 /nfs/dbraw/zinc/22/86/08/187228608.db2.gz STQBGJHCLLCSTP-HMDXOVGESA-N 1 2 207.277 1.524 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1(C2CC2)CC1 ZINC000119187253 343068355 /nfs/dbraw/zinc/06/83/55/343068355.db2.gz UHBNOJGWXJEDCR-UHFFFAOYSA-N 1 2 219.288 1.190 20 0 BDADLO CCc1cc(NC[C@H](C)C(=O)OC)nc[nH+]1 ZINC000309920119 343094176 /nfs/dbraw/zinc/09/41/76/343094176.db2.gz RNTNBSLNZFMFIK-QMMMGPOBSA-N 1 2 223.276 1.260 20 0 BDADLO CCSCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000085898682 343095228 /nfs/dbraw/zinc/09/52/28/343095228.db2.gz MVNMPOWDAFUIAI-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO CCSCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000085898682 343095230 /nfs/dbraw/zinc/09/52/30/343095230.db2.gz MVNMPOWDAFUIAI-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)nc1 ZINC000576872393 365708932 /nfs/dbraw/zinc/70/89/32/365708932.db2.gz QAFYKHXPYLFVGA-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO C/C=C/c1cn(Cc2[nH+]ccn2C(F)F)nn1 ZINC000640953029 362097255 /nfs/dbraw/zinc/09/72/55/362097255.db2.gz FXWWJGKNTOKIIB-NSCUHMNNSA-N 1 2 239.229 1.951 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1[C@@H]1C=CCCC1 ZINC000640944449 362090934 /nfs/dbraw/zinc/09/09/34/362090934.db2.gz DFPLNLMJEWEJEK-PWSUYJOCSA-N 1 2 234.303 1.220 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)nc1 ZINC000576872393 365708937 /nfs/dbraw/zinc/70/89/37/365708937.db2.gz QAFYKHXPYLFVGA-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2sccc2Cl)C1 ZINC000294937340 187241953 /nfs/dbraw/zinc/24/19/53/187241953.db2.gz ZZMPXWYHUNYLOJ-MRVPVSSYSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2sccc2Cl)C1 ZINC000294937340 187241955 /nfs/dbraw/zinc/24/19/55/187241955.db2.gz ZZMPXWYHUNYLOJ-MRVPVSSYSA-N 1 2 247.747 1.595 20 0 BDADLO COCCn1cc(NCc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000576958721 365734155 /nfs/dbraw/zinc/73/41/55/365734155.db2.gz NFWYCRGVDPAJKA-UHFFFAOYSA-N 1 2 249.318 1.482 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000245405339 136272364 /nfs/dbraw/zinc/27/23/64/136272364.db2.gz SKPHGBVQCPGZOO-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000245405339 136272365 /nfs/dbraw/zinc/27/23/65/136272365.db2.gz SKPHGBVQCPGZOO-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1nnsc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125361916 343172786 /nfs/dbraw/zinc/17/27/86/343172786.db2.gz MWBLAJCIZVPXMD-ZCFIWIBFSA-N 1 2 237.288 1.061 20 0 BDADLO CC1(C)CC[C@H](CN2CCn3cc[nH+]c3C2)O1 ZINC000334143611 343213516 /nfs/dbraw/zinc/21/35/16/343213516.db2.gz DWESHCXAPJAARD-LLVKDONJSA-N 1 2 235.331 1.656 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000131874870 343186870 /nfs/dbraw/zinc/18/68/70/343186870.db2.gz OAFJSUSNOIOADW-BDAKNGLRSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C)[C@@H](C)C1 ZINC000131874870 343186871 /nfs/dbraw/zinc/18/68/71/343186871.db2.gz OAFJSUSNOIOADW-BDAKNGLRSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CCCCO1 ZINC000134862888 343191705 /nfs/dbraw/zinc/19/17/05/343191705.db2.gz SJYJIPFLFTWJIZ-MRVPVSSYSA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CCCCO1 ZINC000134862888 343191707 /nfs/dbraw/zinc/19/17/07/343191707.db2.gz SJYJIPFLFTWJIZ-MRVPVSSYSA-N 1 2 238.291 1.048 20 0 BDADLO CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000077836848 343226100 /nfs/dbraw/zinc/22/61/00/343226100.db2.gz XQKXIVMLACVQIA-UHFFFAOYSA-N 1 2 236.319 1.081 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cnns1)CC2 ZINC000625320815 343234333 /nfs/dbraw/zinc/23/43/33/343234333.db2.gz ZVFZICSZPHIRJL-UHFFFAOYSA-N 1 2 235.316 1.059 20 0 BDADLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1noc(C2CCC2)n1 ZINC000625322350 343234789 /nfs/dbraw/zinc/23/47/89/343234789.db2.gz DKGYCNAIOKOGKB-DTWKUNHWSA-N 1 2 239.319 1.444 20 0 BDADLO CCOC(=O)C[N@H+](CCCF)C1CC1 ZINC000088026767 136283928 /nfs/dbraw/zinc/28/39/28/136283928.db2.gz HPMZLOCBERWMAK-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO CCOC(=O)C[N@@H+](CCCF)C1CC1 ZINC000088026767 136283929 /nfs/dbraw/zinc/28/39/29/136283929.db2.gz HPMZLOCBERWMAK-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO COC1CC(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000627658555 343238526 /nfs/dbraw/zinc/23/85/26/343238526.db2.gz GVQHRIMGKRSSOX-IDWGSYCQSA-N 1 2 249.314 1.430 20 0 BDADLO CCO[C@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000625367320 343260251 /nfs/dbraw/zinc/26/02/51/343260251.db2.gz XUCBBFZQLSVHAA-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000625367320 343260252 /nfs/dbraw/zinc/26/02/52/343260252.db2.gz XUCBBFZQLSVHAA-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000121272045 343264995 /nfs/dbraw/zinc/26/49/95/343264995.db2.gz IOCUYLXVRDPNIG-MNOVXSKESA-N 1 2 237.347 1.761 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121463426 343266860 /nfs/dbraw/zinc/26/68/60/343266860.db2.gz YOVNZXHXUPLOPD-WCQYABFASA-N 1 2 235.331 1.515 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N(C)C1CC1 ZINC000297577551 136291187 /nfs/dbraw/zinc/29/11/87/136291187.db2.gz CEIMXYFUSKEGAZ-UHFFFAOYSA-N 1 2 235.287 1.394 20 0 BDADLO O[C@@H]1CCCC[C@H]1c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035693 362147688 /nfs/dbraw/zinc/14/76/88/362147688.db2.gz VOIVGLXDNOOYRI-CMPLNLGQSA-N 1 2 247.302 1.068 20 0 BDADLO CCOC(=O)C[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000165871106 136292607 /nfs/dbraw/zinc/29/26/07/136292607.db2.gz CYDHZDGZJFRGQZ-NSHDSACASA-N 1 2 249.314 1.707 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCOC(C)(C)C2)[nH+]1 ZINC000348745986 136296470 /nfs/dbraw/zinc/29/64/70/136296470.db2.gz XPWLADAALBAOKH-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000037074146 343332879 /nfs/dbraw/zinc/33/28/79/343332879.db2.gz ZAMSVGOGSFZQMO-UWVGGRQHSA-N 1 2 225.288 1.752 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(F)C1 ZINC000584062131 343309183 /nfs/dbraw/zinc/30/91/83/343309183.db2.gz FJVBHQPHOKLELS-BXKDBHETSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(F)C1 ZINC000584062131 343309185 /nfs/dbraw/zinc/30/91/85/343309185.db2.gz FJVBHQPHOKLELS-BXKDBHETSA-N 1 2 239.294 1.549 20 0 BDADLO Cn1c[nH+]c(Cn2cc(C(=O)C3CCC3)nn2)c1 ZINC000641053722 362164724 /nfs/dbraw/zinc/16/47/24/362164724.db2.gz MOWNHYXHLVSUBJ-UHFFFAOYSA-N 1 2 245.286 1.043 20 0 BDADLO c1cn(Cc2cn(CCC3CC3)nn2)c[nH+]1 ZINC000641065775 362173122 /nfs/dbraw/zinc/17/31/22/362173122.db2.gz MIGZHWIVIZMOPA-UHFFFAOYSA-N 1 2 217.276 1.323 20 0 BDADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000122474919 343372941 /nfs/dbraw/zinc/37/29/41/343372941.db2.gz LVLDKMCQROFAQF-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000348894262 136304154 /nfs/dbraw/zinc/30/41/54/136304154.db2.gz OJFLSALQDWIIKM-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000348894262 136304155 /nfs/dbraw/zinc/30/41/55/136304155.db2.gz OJFLSALQDWIIKM-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCCOCC1 ZINC000363377625 187256904 /nfs/dbraw/zinc/25/69/04/187256904.db2.gz GHPVYAMTRUIDHN-UHFFFAOYSA-N 1 2 223.276 1.169 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCCOCC1 ZINC000363377625 187256905 /nfs/dbraw/zinc/25/69/05/187256905.db2.gz GHPVYAMTRUIDHN-UHFFFAOYSA-N 1 2 223.276 1.169 20 0 BDADLO Cc1c(C[N@@H+]2CCC[C@@]23CCOC3=O)cnn1C ZINC000275150546 187337820 /nfs/dbraw/zinc/33/78/20/187337820.db2.gz XTEBQMFSWRTBTC-ZDUSSCGKSA-N 1 2 249.314 1.010 20 0 BDADLO Cc1c(C[N@H+]2CCC[C@@]23CCOC3=O)cnn1C ZINC000275150546 187337821 /nfs/dbraw/zinc/33/78/21/187337821.db2.gz XTEBQMFSWRTBTC-ZDUSSCGKSA-N 1 2 249.314 1.010 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000274310139 187337852 /nfs/dbraw/zinc/33/78/52/187337852.db2.gz VALYQQQPKMCNCR-SNVBAGLBSA-N 1 2 223.320 1.719 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335673324 136317552 /nfs/dbraw/zinc/31/75/52/136317552.db2.gz UHXHXQPDJHCKRO-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335673324 136317553 /nfs/dbraw/zinc/31/75/53/136317553.db2.gz UHXHXQPDJHCKRO-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)on1 ZINC000335663489 136315968 /nfs/dbraw/zinc/31/59/68/136315968.db2.gz LTQNXYQYDSDDPJ-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)on1 ZINC000335663489 136315969 /nfs/dbraw/zinc/31/59/69/136315969.db2.gz LTQNXYQYDSDDPJ-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCOCC12CC2 ZINC000335663977 136315983 /nfs/dbraw/zinc/31/59/83/136315983.db2.gz XSSGGWIQKDGTSL-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCOCC12CC2 ZINC000335663977 136315984 /nfs/dbraw/zinc/31/59/84/136315984.db2.gz XSSGGWIQKDGTSL-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO CN(CCF)c1cc(-n2cc[nH+]c2)ncn1 ZINC000631297043 343393034 /nfs/dbraw/zinc/39/30/34/343393034.db2.gz TZHYNLJGCLNWJE-UHFFFAOYSA-N 1 2 221.239 1.068 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)on1 ZINC000335690251 136324616 /nfs/dbraw/zinc/32/46/16/136324616.db2.gz UUISCJWOLCDGOF-RKDXNWHRSA-N 1 2 223.276 1.404 20 0 BDADLO C[N@H+](CC(=O)N1CCCCC1)Cc1ccco1 ZINC000041392457 343420307 /nfs/dbraw/zinc/42/03/07/343420307.db2.gz GMAUKJNQGYQEFM-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO C[N@@H+](CC(=O)N1CCCCC1)Cc1ccco1 ZINC000041392457 343420310 /nfs/dbraw/zinc/42/03/10/343420310.db2.gz GMAUKJNQGYQEFM-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO C=Cn1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000349381798 136344013 /nfs/dbraw/zinc/34/40/13/136344013.db2.gz ICFWJPRTPQWKBP-SECBINFHSA-N 1 2 249.236 1.339 20 0 BDADLO C=Cn1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000349381798 136344014 /nfs/dbraw/zinc/34/40/14/136344014.db2.gz ICFWJPRTPQWKBP-SECBINFHSA-N 1 2 249.236 1.339 20 0 BDADLO CCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042511241 343441279 /nfs/dbraw/zinc/44/12/79/343441279.db2.gz DOPQBPUPUCSXSQ-JTQLQIEISA-N 1 2 209.293 1.578 20 0 BDADLO C/C=C(\CC)C(=O)NCc1[nH+]ccn1C ZINC000276618657 187339305 /nfs/dbraw/zinc/33/93/05/187339305.db2.gz MQEQGVCNCNVAIE-RUDMXATFSA-N 1 2 207.277 1.393 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H](CC)C(N)=O)s1 ZINC000177775074 346939157 /nfs/dbraw/zinc/93/91/57/346939157.db2.gz IPBOTEPNUJVZGX-SECBINFHSA-N 1 2 241.360 1.401 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H](CC)C(N)=O)s1 ZINC000177775074 346939162 /nfs/dbraw/zinc/93/91/62/346939162.db2.gz IPBOTEPNUJVZGX-SECBINFHSA-N 1 2 241.360 1.401 20 0 BDADLO CCn1cc[nH+]c1CN1CCC(F)(F)C1 ZINC000335828950 136352691 /nfs/dbraw/zinc/35/26/91/136352691.db2.gz WFABRWMPBTZXSH-UHFFFAOYSA-N 1 2 215.247 1.744 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc2n1CCCC2 ZINC000335713554 136338317 /nfs/dbraw/zinc/33/83/17/136338317.db2.gz LFMADFJQHLGAAF-AOOOYVTPSA-N 1 2 220.320 1.597 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc2n1CCCC2 ZINC000335713554 136338318 /nfs/dbraw/zinc/33/83/18/136338318.db2.gz LFMADFJQHLGAAF-AOOOYVTPSA-N 1 2 220.320 1.597 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC000590296338 346939862 /nfs/dbraw/zinc/93/98/62/346939862.db2.gz FTCMRPBVDGNFEI-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC000590296338 346939867 /nfs/dbraw/zinc/93/98/67/346939867.db2.gz FTCMRPBVDGNFEI-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO COc1ncccc1Cc1noc(C[NH+](C)C)n1 ZINC000350497287 136361658 /nfs/dbraw/zinc/36/16/58/136361658.db2.gz YKBOMJAYLTYKBP-UHFFFAOYSA-N 1 2 248.286 1.126 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000351003628 136366372 /nfs/dbraw/zinc/36/63/72/136366372.db2.gz UKZDUUUMPVXOAA-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000351003628 136366373 /nfs/dbraw/zinc/36/63/73/136366373.db2.gz UKZDUUUMPVXOAA-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC000683781146 488219798 /nfs/dbraw/zinc/21/97/98/488219798.db2.gz ANSUVQCHOBNAOS-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC000683781146 488219800 /nfs/dbraw/zinc/21/98/00/488219800.db2.gz ANSUVQCHOBNAOS-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000351582031 136369257 /nfs/dbraw/zinc/36/92/57/136369257.db2.gz PDERBJUBQGIYOX-NRPADANISA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000351582031 136369258 /nfs/dbraw/zinc/36/92/58/136369258.db2.gz PDERBJUBQGIYOX-NRPADANISA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000351605135 136370210 /nfs/dbraw/zinc/37/02/10/136370210.db2.gz NHRFDYNPDDXXCW-KHQFGBGNSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000351605135 136370211 /nfs/dbraw/zinc/37/02/11/136370211.db2.gz NHRFDYNPDDXXCW-KHQFGBGNSA-N 1 2 225.292 1.142 20 0 BDADLO CC(C)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048844785 136372865 /nfs/dbraw/zinc/37/28/65/136372865.db2.gz SAJOUWMRIIXEJW-UHFFFAOYSA-N 1 2 246.314 1.790 20 0 BDADLO CO[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CCO1 ZINC000602898208 349815029 /nfs/dbraw/zinc/81/50/29/349815029.db2.gz OXIBSAKQKCMKJH-NSHDSACASA-N 1 2 245.319 1.023 20 0 BDADLO CO[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CCO1 ZINC000602898208 349815030 /nfs/dbraw/zinc/81/50/30/349815030.db2.gz OXIBSAKQKCMKJH-NSHDSACASA-N 1 2 245.319 1.023 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000045753452 343533871 /nfs/dbraw/zinc/53/38/71/343533871.db2.gz LNOVCRXDAOPJIN-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000045753452 343533873 /nfs/dbraw/zinc/53/38/73/343533873.db2.gz LNOVCRXDAOPJIN-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000083825810 343503025 /nfs/dbraw/zinc/50/30/25/343503025.db2.gz UIUNAUYQHSADHP-LURJTMIESA-N 1 2 213.199 1.432 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000083825810 343503028 /nfs/dbraw/zinc/50/30/28/343503028.db2.gz UIUNAUYQHSADHP-LURJTMIESA-N 1 2 213.199 1.432 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@H]1CNC(=O)O1 ZINC000495584449 529730536 /nfs/dbraw/zinc/73/05/36/529730536.db2.gz RUWVIZIJZPKLGD-SECBINFHSA-N 1 2 236.271 1.440 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cccc3c2OCCO3)n1 ZINC000070988990 343582740 /nfs/dbraw/zinc/58/27/40/343582740.db2.gz HGXOOCQZDOZACR-UHFFFAOYSA-N 1 2 245.282 1.471 20 0 BDADLO Cc1oc(C)c(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000070991788 343582824 /nfs/dbraw/zinc/58/28/24/343582824.db2.gz DDDZWIKIBFKNJT-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO CC(C)(CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280907546 187342932 /nfs/dbraw/zinc/34/29/32/187342932.db2.gz FJOJXUGGCCOSJW-UHFFFAOYSA-N 1 2 248.286 1.227 20 0 BDADLO CCc1nc(C[NH2+][C@@H](C)C(=O)N(C)C)cs1 ZINC000049591275 343603959 /nfs/dbraw/zinc/60/39/59/343603959.db2.gz SEJURQHNGUJXAG-QMMMGPOBSA-N 1 2 241.360 1.272 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(F)cn1 ZINC000622745649 343605491 /nfs/dbraw/zinc/60/54/91/343605491.db2.gz RQAZEXROQQADOR-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(F)cn1 ZINC000622745649 343605492 /nfs/dbraw/zinc/60/54/92/343605492.db2.gz RQAZEXROQQADOR-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cncs1 ZINC000622745500 343606264 /nfs/dbraw/zinc/60/62/64/343606264.db2.gz MRSAYUFSFCDSAR-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cncs1 ZINC000622745500 343606267 /nfs/dbraw/zinc/60/62/67/343606267.db2.gz MRSAYUFSFCDSAR-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccsn1 ZINC000622746452 343606651 /nfs/dbraw/zinc/60/66/51/343606651.db2.gz YGRSYBRETVMXGC-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccsn1 ZINC000622746452 343606652 /nfs/dbraw/zinc/60/66/52/343606652.db2.gz YGRSYBRETVMXGC-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO COC(=O)CCCC[N@H+](C)Cc1cn[nH]c1C ZINC000602945251 349818954 /nfs/dbraw/zinc/81/89/54/349818954.db2.gz YZOILRREYZSBGB-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO COC(=O)CCCC[N@@H+](C)Cc1cn[nH]c1C ZINC000602945251 349818956 /nfs/dbraw/zinc/81/89/56/349818956.db2.gz YZOILRREYZSBGB-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccncc1 ZINC000282594436 187344233 /nfs/dbraw/zinc/34/42/33/187344233.db2.gz HCNANNJIDSEDEY-UHFFFAOYSA-N 1 2 245.330 1.718 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC1(C)C ZINC000620076350 343635504 /nfs/dbraw/zinc/63/55/04/343635504.db2.gz OSGXARDEGUBCFP-GFCCVEGCSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@]1(C)CC1(C)C ZINC000620076350 343635506 /nfs/dbraw/zinc/63/55/06/343635506.db2.gz OSGXARDEGUBCFP-GFCCVEGCSA-N 1 2 221.304 1.565 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)nn1 ZINC000283555622 187343487 /nfs/dbraw/zinc/34/34/87/187343487.db2.gz NMXOSHNWXIHITM-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)nn1 ZINC000283555622 187343489 /nfs/dbraw/zinc/34/34/89/187343489.db2.gz NMXOSHNWXIHITM-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO Cc1nc(N2Cc3ccccc3[C@@H]2C)nc(N)[nH+]1 ZINC000631139589 343626916 /nfs/dbraw/zinc/62/69/16/343626916.db2.gz KCCZQSWOTBNRHL-QMMMGPOBSA-N 1 2 241.298 1.674 20 0 BDADLO Cc1nc(N)nc(N2Cc3ccccc3[C@@H]2C)[nH+]1 ZINC000631139589 343626918 /nfs/dbraw/zinc/62/69/18/343626918.db2.gz KCCZQSWOTBNRHL-QMMMGPOBSA-N 1 2 241.298 1.674 20 0 BDADLO CCc1cc(NC[C@@H](C)C[C@H](C)O)nc[nH+]1 ZINC000077228689 343672713 /nfs/dbraw/zinc/67/27/13/343672713.db2.gz LQKKMHZWYYWUAG-UWVGGRQHSA-N 1 2 223.320 1.858 20 0 BDADLO COc1ccnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000577054300 365794804 /nfs/dbraw/zinc/79/48/04/365794804.db2.gz SHDOZGQTMUZCBB-DTWKUNHWSA-N 1 2 245.286 1.800 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOCCC(C)C ZINC000045094117 187269111 /nfs/dbraw/zinc/26/91/11/187269111.db2.gz POLWRXPWRBDSAC-UHFFFAOYSA-N 1 2 225.336 1.870 20 0 BDADLO C/C=C\C[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631395724 343695578 /nfs/dbraw/zinc/69/55/78/343695578.db2.gz RLEXZAXQSKEDLM-BYCRGOAPSA-N 1 2 247.346 1.775 20 0 BDADLO C/C=C\C[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631395724 343695579 /nfs/dbraw/zinc/69/55/79/343695579.db2.gz RLEXZAXQSKEDLM-BYCRGOAPSA-N 1 2 247.346 1.775 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C=C(/C)Cl ZINC000528434711 262947237 /nfs/dbraw/zinc/94/72/37/262947237.db2.gz XNQTUZLADLQYMB-HYHWUIIZSA-N 1 2 230.739 1.730 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C=C(/C)Cl ZINC000528434711 262947239 /nfs/dbraw/zinc/94/72/39/262947239.db2.gz XNQTUZLADLQYMB-HYHWUIIZSA-N 1 2 230.739 1.730 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636773724 349837391 /nfs/dbraw/zinc/83/73/91/349837391.db2.gz AQQVWNZFEMWFHQ-UWVGGRQHSA-N 1 2 248.330 1.153 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCc3nc[nH]c3C2)n1 ZINC000625436180 343733732 /nfs/dbraw/zinc/73/37/32/343733732.db2.gz CNCKIONYAFYMEV-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCc3nc[nH]c3C2)n1 ZINC000625436180 343733733 /nfs/dbraw/zinc/73/37/33/343733733.db2.gz CNCKIONYAFYMEV-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3cnns3)C2)c1 ZINC000625439963 343741236 /nfs/dbraw/zinc/74/12/36/343741236.db2.gz FSBVJSMLHDWAEY-JTQLQIEISA-N 1 2 249.343 1.490 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cnns3)C2)c1 ZINC000625439963 343741237 /nfs/dbraw/zinc/74/12/37/343741237.db2.gz FSBVJSMLHDWAEY-JTQLQIEISA-N 1 2 249.343 1.490 20 0 BDADLO CC(C)(C)/C=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000290918617 187348110 /nfs/dbraw/zinc/34/81/10/187348110.db2.gz KCJGCBCTKGSSMW-SNAWJCMRSA-N 1 2 233.315 1.828 20 0 BDADLO CN(C)c1ccccc1C[N@H+](C)[C@H]1CCOC1=O ZINC000288762194 187347140 /nfs/dbraw/zinc/34/71/40/187347140.db2.gz HNUBTVXAMSJLDX-ZDUSSCGKSA-N 1 2 248.326 1.500 20 0 BDADLO CN(C)c1ccccc1C[N@@H+](C)[C@H]1CCOC1=O ZINC000288762194 187347142 /nfs/dbraw/zinc/34/71/42/187347142.db2.gz HNUBTVXAMSJLDX-ZDUSSCGKSA-N 1 2 248.326 1.500 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCC[C@H]2F)C1 ZINC000584181598 343770293 /nfs/dbraw/zinc/77/02/93/343770293.db2.gz CKVNHUOBXYVAAV-ZJUUUORDSA-N 1 2 228.311 1.335 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)N1CC=CC1 ZINC000636579695 537809706 /nfs/dbraw/zinc/80/97/06/537809706.db2.gz LRXZBWXLTCUXII-UHFFFAOYSA-N 1 2 246.314 1.465 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290917740 187348239 /nfs/dbraw/zinc/34/82/39/187348239.db2.gz JYZXMGRGDASOOI-TZMCWYRMSA-N 1 2 247.342 1.908 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290863457 187348342 /nfs/dbraw/zinc/34/83/42/187348342.db2.gz BSXOXUHQLDBWEL-NWDGAFQWSA-N 1 2 233.315 1.517 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625450865 343777761 /nfs/dbraw/zinc/77/77/61/343777761.db2.gz RTGXYVAPNFUWGB-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625450865 343777762 /nfs/dbraw/zinc/77/77/62/343777762.db2.gz RTGXYVAPNFUWGB-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CN(CCC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493817049 529875483 /nfs/dbraw/zinc/87/54/83/529875483.db2.gz HLOAAHISHPOACY-PLNGDYQASA-N 1 2 219.288 1.681 20 0 BDADLO CCn1ccnc1C[N@H+](C)CC1=CCCOC1 ZINC000661656836 537819134 /nfs/dbraw/zinc/81/91/34/537819134.db2.gz WGNXURCLONDTGS-UHFFFAOYSA-N 1 2 235.331 1.682 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CC1=CCCOC1 ZINC000661656836 537819139 /nfs/dbraw/zinc/81/91/39/537819139.db2.gz WGNXURCLONDTGS-UHFFFAOYSA-N 1 2 235.331 1.682 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618502413 349873222 /nfs/dbraw/zinc/87/32/22/349873222.db2.gz DKAMIVUTZXAXPX-GMXVVIOVSA-N 1 2 247.342 1.515 20 0 BDADLO CN(CCOCC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493523647 529921246 /nfs/dbraw/zinc/92/12/46/529921246.db2.gz NBMSCTKINLLETC-PLNGDYQASA-N 1 2 249.314 1.308 20 0 BDADLO CCSCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000603198076 349884949 /nfs/dbraw/zinc/88/49/49/349884949.db2.gz LEJBORBPXOZRCG-UHFFFAOYSA-N 1 2 237.332 1.276 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335560367 534954487 /nfs/dbraw/zinc/95/44/87/534954487.db2.gz UEQFACNEISVHMC-RYUDHWBXSA-N 1 2 249.358 1.948 20 0 BDADLO COc1ccncc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000625467607 343872571 /nfs/dbraw/zinc/87/25/71/343872571.db2.gz HIURFMRKWUIDJN-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CO[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000128506856 343874080 /nfs/dbraw/zinc/87/40/80/343874080.db2.gz JAMRIRWVDXNYPO-JTQLQIEISA-N 1 2 222.288 1.980 20 0 BDADLO CN(CC[C@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493151248 529931873 /nfs/dbraw/zinc/93/18/73/529931873.db2.gz MDGPHBVQMCNBHT-SGUJLRQBSA-N 1 2 249.314 1.450 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000625538808 343925459 /nfs/dbraw/zinc/92/54/59/343925459.db2.gz LPWCGOLDGWXPTQ-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000625538808 343925460 /nfs/dbraw/zinc/92/54/60/343925460.db2.gz LPWCGOLDGWXPTQ-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H]1CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000641239794 362294071 /nfs/dbraw/zinc/29/40/71/362294071.db2.gz BZEPQXVZLXWDHO-VIFPVBQESA-N 1 2 215.256 1.569 20 0 BDADLO C1=C(C[N@@H+]2CCN3CCCC[C@H]3C2)COCC1 ZINC000092616198 343960572 /nfs/dbraw/zinc/96/05/72/343960572.db2.gz OTALJKWUBQGZLB-AWEZNQCLSA-N 1 2 236.359 1.503 20 0 BDADLO C1=C(C[N@H+]2CCN3CCCC[C@H]3C2)COCC1 ZINC000092616198 343960573 /nfs/dbraw/zinc/96/05/73/343960573.db2.gz OTALJKWUBQGZLB-AWEZNQCLSA-N 1 2 236.359 1.503 20 0 BDADLO Cn1cc[nH+]c1CN1Cc2ccc(O)cc2C1 ZINC000625725601 344057146 /nfs/dbraw/zinc/05/71/46/344057146.db2.gz CBYCYLCSOUKJSC-UHFFFAOYSA-N 1 2 229.283 1.642 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](C[C@H]1COCCO1)C2 ZINC000625727656 344058299 /nfs/dbraw/zinc/05/82/99/344058299.db2.gz GULKHTYPDQVOKU-ZDUSSCGKSA-N 1 2 235.283 1.123 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](C[C@H]1COCCO1)C2 ZINC000625727656 344058301 /nfs/dbraw/zinc/05/83/01/344058301.db2.gz GULKHTYPDQVOKU-ZDUSSCGKSA-N 1 2 235.283 1.123 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCCC(F)(F)CC2)n1 ZINC000625770213 344065683 /nfs/dbraw/zinc/06/56/83/344065683.db2.gz SAJOUTXYWYTTJK-UHFFFAOYSA-N 1 2 242.273 1.510 20 0 BDADLO Nc1ccnc(C[N@H+]2CCCC(F)(F)CC2)n1 ZINC000625770213 344065685 /nfs/dbraw/zinc/06/56/85/344065685.db2.gz SAJOUTXYWYTTJK-UHFFFAOYSA-N 1 2 242.273 1.510 20 0 BDADLO CC(C)(F)C(=O)NCCCn1cc[nH+]c1 ZINC000131759817 187286323 /nfs/dbraw/zinc/28/63/23/187286323.db2.gz WYNUFVSICSMRKO-UHFFFAOYSA-N 1 2 213.256 1.138 20 0 BDADLO OCc1cc[nH+]c(NCCc2ccco2)c1 ZINC000641281510 362343873 /nfs/dbraw/zinc/34/38/73/362343873.db2.gz XNKXLOSYKDNBGI-UHFFFAOYSA-N 1 2 218.256 1.822 20 0 BDADLO OCc1cc[nH+]c(NCCc2ccsc2)c1 ZINC000641284366 362344463 /nfs/dbraw/zinc/34/44/63/362344463.db2.gz MDEARDQZBVAGMW-UHFFFAOYSA-N 1 2 234.324 1.712 20 0 BDADLO Cc1cc(CN(C)c2cc(CO)cc[nH+]2)no1 ZINC000641284889 362345042 /nfs/dbraw/zinc/34/50/42/362345042.db2.gz RYKYYEZNDUSJPH-UHFFFAOYSA-N 1 2 233.271 1.507 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)no1 ZINC000634734238 344115087 /nfs/dbraw/zinc/11/50/87/344115087.db2.gz AUJKMGIUSOCXGG-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)no1 ZINC000634734238 344115089 /nfs/dbraw/zinc/11/50/89/344115089.db2.gz AUJKMGIUSOCXGG-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)no1 ZINC000634734237 344115416 /nfs/dbraw/zinc/11/54/16/344115416.db2.gz AUJKMGIUSOCXGG-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)no1 ZINC000634734237 344115420 /nfs/dbraw/zinc/11/54/20/344115420.db2.gz AUJKMGIUSOCXGG-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO CNc1ccc(Nc2cc(C3CC3)ncn2)c[nH+]1 ZINC000641299287 362350747 /nfs/dbraw/zinc/35/07/47/362350747.db2.gz QVEFVWJCLCJGEF-UHFFFAOYSA-N 1 2 241.298 1.956 20 0 BDADLO C[C@H]1CC[C@H](C(N)=O)CN1c1cc[nH+]cc1F ZINC000641299586 362351263 /nfs/dbraw/zinc/35/12/63/362351263.db2.gz OVGVFIDNXOQPGH-IUCAKERBSA-N 1 2 237.278 1.311 20 0 BDADLO Cc1cc(NC[C@@H](O)CC(C)(C)C)nc[nH+]1 ZINC000227356194 344079936 /nfs/dbraw/zinc/07/99/36/344079936.db2.gz QVZRWIPRMNAKLY-JTQLQIEISA-N 1 2 223.320 1.994 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)n1 ZINC000634735213 344117265 /nfs/dbraw/zinc/11/72/65/344117265.db2.gz ZKRHZZFCTYRODZ-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)n1 ZINC000634735213 344117266 /nfs/dbraw/zinc/11/72/66/344117266.db2.gz ZKRHZZFCTYRODZ-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000588648589 344168046 /nfs/dbraw/zinc/16/80/46/344168046.db2.gz TUBKXPRSAVVJDE-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000588648589 344168048 /nfs/dbraw/zinc/16/80/48/344168048.db2.gz TUBKXPRSAVVJDE-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCc1cnc(C[NH2+]Cc2ccnn2C)s1 ZINC000080205723 344124640 /nfs/dbraw/zinc/12/46/40/344124640.db2.gz XLBVRIBFWXJOOT-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Fc1c[nH+]ccc1NC[C@H]1CCCCO1 ZINC000641309710 362359604 /nfs/dbraw/zinc/35/96/04/362359604.db2.gz LRTZEASPWXRGPW-SECBINFHSA-N 1 2 210.252 1.624 20 0 BDADLO Cc1[nH]c(CN(C)[C@H]2CCSC2)[nH+]c1C ZINC000628131839 344159496 /nfs/dbraw/zinc/15/94/96/344159496.db2.gz LJORFAMZFQYCDD-JTQLQIEISA-N 1 2 225.361 1.964 20 0 BDADLO CC[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641332934 362366492 /nfs/dbraw/zinc/36/64/92/362366492.db2.gz VRQOKPMAHBCOTM-LLVKDONJSA-N 1 2 210.277 1.147 20 0 BDADLO Cc1n[nH]c(C)c1CNc1cc(CO)cc[nH+]1 ZINC000641324527 362363810 /nfs/dbraw/zinc/36/38/10/362363810.db2.gz UTAIRFLPWYMRLK-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000135364945 344237582 /nfs/dbraw/zinc/23/75/82/344237582.db2.gz VSLWWRIUQVFVFZ-QWRGUYRKSA-N 1 2 249.310 1.704 20 0 BDADLO CCOCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627371441 347044678 /nfs/dbraw/zinc/04/46/78/347044678.db2.gz FLWXXKWSRAUSHL-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO CCOCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627371441 347044680 /nfs/dbraw/zinc/04/46/80/347044680.db2.gz FLWXXKWSRAUSHL-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO CC[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](C)O1 ZINC000641367388 362378750 /nfs/dbraw/zinc/37/87/50/362378750.db2.gz JBNIJQYYDVGALT-PWSUYJOCSA-N 1 2 236.315 1.578 20 0 BDADLO NC(=O)CCSCc1c[nH+]c2ccccn12 ZINC000600609698 344335111 /nfs/dbraw/zinc/33/51/11/344335111.db2.gz NQFKOMWIOWVYAB-UHFFFAOYSA-N 1 2 235.312 1.443 20 0 BDADLO CN(C)c1ccc(CSCCC(N)=O)c[nH+]1 ZINC000600606821 344339584 /nfs/dbraw/zinc/33/95/84/344339584.db2.gz SNUWSBNRUHCQPT-UHFFFAOYSA-N 1 2 239.344 1.256 20 0 BDADLO CCC(CC)[C@@H](O)CNc1cc[nH+]cc1F ZINC000641371059 362380068 /nfs/dbraw/zinc/38/00/68/362380068.db2.gz PMPJGJFILMECNM-LBPRGKRZSA-N 1 2 226.295 1.852 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1[nH+]ccn1C ZINC000620608994 344359133 /nfs/dbraw/zinc/35/91/33/344359133.db2.gz RBJCNDDMUHUANW-GDPRMGEGSA-N 1 2 233.315 1.643 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc(CO)cc[nH+]1 ZINC000603310199 349910825 /nfs/dbraw/zinc/91/08/25/349910825.db2.gz TURRXFDASHFNPB-VIFPVBQESA-N 1 2 238.287 1.185 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1[nH]cc[nH+]1 ZINC000584272407 344374033 /nfs/dbraw/zinc/37/40/33/344374033.db2.gz TXXMWOLWMWWISX-UTLUCORTSA-N 1 2 219.288 1.462 20 0 BDADLO Cc1nc(NCC(C)(C)C2CCC2)nc(N)[nH+]1 ZINC000385203278 344376582 /nfs/dbraw/zinc/37/65/82/344376582.db2.gz PJNCTLSWZXQSHL-UHFFFAOYSA-N 1 2 235.335 1.253 20 0 BDADLO Cc1nc(N)nc(NCC(C)(C)C2CCC2)[nH+]1 ZINC000385203278 344376584 /nfs/dbraw/zinc/37/65/84/344376584.db2.gz PJNCTLSWZXQSHL-UHFFFAOYSA-N 1 2 235.335 1.253 20 0 BDADLO CCOC(=O)c1cc(-c2c[nH+]c(C)n2C)[nH]n1 ZINC000600845283 344381914 /nfs/dbraw/zinc/38/19/14/344381914.db2.gz LUDFANOJCCUURK-UHFFFAOYSA-N 1 2 234.259 1.295 20 0 BDADLO CC(C)[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641389529 362387898 /nfs/dbraw/zinc/38/78/98/362387898.db2.gz FVBRCKGHLFUQMR-JTQLQIEISA-N 1 2 210.277 1.003 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H](OC)C1CC1 ZINC000400228557 344435179 /nfs/dbraw/zinc/43/51/79/344435179.db2.gz QOOKGLCKJKGNON-RYUDHWBXSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@H](CCO)SCCn1cc[nH+]c1 ZINC000085145305 344504162 /nfs/dbraw/zinc/50/41/62/344504162.db2.gz OGDADAZXHZNWMU-SECBINFHSA-N 1 2 200.307 1.387 20 0 BDADLO CS[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378062 347051204 /nfs/dbraw/zinc/05/12/04/347051204.db2.gz DATQIOHYDKPBSR-SSDOTTSWSA-N 1 2 225.317 1.046 20 0 BDADLO CS[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378062 347051209 /nfs/dbraw/zinc/05/12/09/347051209.db2.gz DATQIOHYDKPBSR-SSDOTTSWSA-N 1 2 225.317 1.046 20 0 BDADLO Cc1cncnc1NCc1[nH+]ccn1CC(C)C ZINC000641395085 362391163 /nfs/dbraw/zinc/39/11/63/362391163.db2.gz UXCVGZSIZYYHOB-UHFFFAOYSA-N 1 2 245.330 1.672 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000381162044 344481408 /nfs/dbraw/zinc/48/14/08/344481408.db2.gz RPNCRCKDNLTSDP-BDAKNGLRSA-N 1 2 233.258 1.715 20 0 BDADLO CC(C)[C@@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641400433 362394759 /nfs/dbraw/zinc/39/47/59/362394759.db2.gz NXJRUNQEHDZYED-LLVKDONJSA-N 1 2 224.304 1.393 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@]1(C)CCCC[C@H]1O ZINC000577389331 344526663 /nfs/dbraw/zinc/52/66/63/344526663.db2.gz ZGOGJEIQRORAHN-TZMCWYRMSA-N 1 2 249.358 1.868 20 0 BDADLO CC(C)[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641418833 362405716 /nfs/dbraw/zinc/40/57/16/362405716.db2.gz FRJTUCVLMILKAS-SNVBAGLBSA-N 1 2 210.277 1.003 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2Cc3ccccc32)c[nH+]1 ZINC000600960026 344540724 /nfs/dbraw/zinc/54/07/24/344540724.db2.gz IMSXXEAZHJRANW-NSHDSACASA-N 1 2 241.294 1.788 20 0 BDADLO C[C@@H]([NH2+]Cc1nccs1)c1cnn(C)c1 ZINC000044500261 344540817 /nfs/dbraw/zinc/54/08/17/344540817.db2.gz NTIYWWNONKQZJU-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000368093912 344549017 /nfs/dbraw/zinc/54/90/17/344549017.db2.gz NCDJNNKWBOPEPG-DMDPSCGWSA-N 1 2 246.310 1.566 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1CCCSC1 ZINC000641437429 362418820 /nfs/dbraw/zinc/41/88/20/362418820.db2.gz HVMFGFWHQBPQHX-QMMMGPOBSA-N 1 2 212.293 1.950 20 0 BDADLO CC[C@H](O)CCNc1cc(CO)cc[nH+]1 ZINC000641438037 362419139 /nfs/dbraw/zinc/41/91/39/362419139.db2.gz CLRSBGOUIGTIQM-JTQLQIEISA-N 1 2 210.277 1.147 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000641439494 362420275 /nfs/dbraw/zinc/42/02/75/362420275.db2.gz DXIMEGWIAVSLND-YNEHKIRRSA-N 1 2 248.326 1.943 20 0 BDADLO C[C@H]1C[C@H](CNc2cc[nH+]cc2F)CCO1 ZINC000641477831 362446765 /nfs/dbraw/zinc/44/67/65/362446765.db2.gz LVAZPGZCMFMKBI-VHSXEESVSA-N 1 2 224.279 1.870 20 0 BDADLO OCCC1(CNc2cc[nH+]cc2F)CCC1 ZINC000641447127 362424666 /nfs/dbraw/zinc/42/46/66/362424666.db2.gz PQGXVIBJBROXBB-UHFFFAOYSA-N 1 2 224.279 1.607 20 0 BDADLO Fc1c[nH+]ccc1NCc1noc(C2CC2)n1 ZINC000641467182 362439957 /nfs/dbraw/zinc/43/99/57/362439957.db2.gz ATOYDDSZPZDJGC-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO CC1(CNc2cc(CO)cc[nH+]2)CCOCC1 ZINC000641424886 362409498 /nfs/dbraw/zinc/40/94/98/362409498.db2.gz FISNCFMWSYNOTC-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO COC(=O)C[C@@H](C)SCc1cn(C)c[nH+]1 ZINC000603317499 349913246 /nfs/dbraw/zinc/91/32/46/349913246.db2.gz PTQQBBGJJOZWQI-MRVPVSSYSA-N 1 2 228.317 1.605 20 0 BDADLO C[C@@]1(CNc2cc(CO)cc[nH+]2)CCCO1 ZINC000641427660 362412126 /nfs/dbraw/zinc/41/21/26/362412126.db2.gz AWUDDXVFCIYBBR-LBPRGKRZSA-N 1 2 222.288 1.555 20 0 BDADLO C[C@H](C[C@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641436064 362417308 /nfs/dbraw/zinc/41/73/08/362417308.db2.gz NENBPGFWDGXEJY-NXEZZACHSA-N 1 2 224.279 1.870 20 0 BDADLO Cc1ccc(CN(C)c2cc(CO)cc[nH+]2)nc1 ZINC000641543616 362491283 /nfs/dbraw/zinc/49/12/83/362491283.db2.gz DMJQERBEDBMVNB-UHFFFAOYSA-N 1 2 243.310 1.914 20 0 BDADLO OCC1(CNc2cc[nH+]cc2F)CCCC1 ZINC000641495026 362462079 /nfs/dbraw/zinc/46/20/79/362462079.db2.gz AVLLMTWFJPILQT-UHFFFAOYSA-N 1 2 224.279 1.607 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc[nH+]cc1F ZINC000641497176 362462754 /nfs/dbraw/zinc/46/27/54/362462754.db2.gz QFGJKKCFUISBSM-GKQMSVHHSA-N 1 2 210.252 1.382 20 0 BDADLO CN(CC1(O)CCC1)c1cc[nH+]cc1F ZINC000641514524 362470793 /nfs/dbraw/zinc/47/07/93/362470793.db2.gz QOFYYERHLVVWPF-UHFFFAOYSA-N 1 2 210.252 1.572 20 0 BDADLO CS[C@H](CO)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603295361 349914593 /nfs/dbraw/zinc/91/45/93/349914593.db2.gz LCRKDLHPZQVULC-PSASIEDQSA-N 1 2 242.344 1.098 20 0 BDADLO OCCN(c1cc[nH+]cc1F)C1CCC1 ZINC000641523845 362474607 /nfs/dbraw/zinc/47/46/07/362474607.db2.gz YTWOSKAYUCNYFY-UHFFFAOYSA-N 1 2 210.252 1.572 20 0 BDADLO CN(Cc1ccccn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862382 530004635 /nfs/dbraw/zinc/00/46/35/530004635.db2.gz KQUYFBQECFRFOC-WAYWQWQTSA-N 1 2 242.282 1.477 20 0 BDADLO C[C@]1(O)CCCN(c2cc[nH+]cc2F)CC1 ZINC000641546160 362493668 /nfs/dbraw/zinc/49/36/68/362493668.db2.gz URBHSOYGRVBCJB-LBPRGKRZSA-N 1 2 224.279 1.962 20 0 BDADLO CCc1nsc(N[C@@H]2CCC[C@H]2[NH+](C)C)n1 ZINC000348190163 344650119 /nfs/dbraw/zinc/65/01/19/344650119.db2.gz YSSQTOIQHAFHBF-RKDXNWHRSA-N 1 2 240.376 1.417 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CCF)C2)on1 ZINC000626001807 344662206 /nfs/dbraw/zinc/66/22/06/344662206.db2.gz ZIIACGWFJNTNDO-SNVBAGLBSA-N 1 2 228.267 1.543 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CCF)C2)on1 ZINC000626001807 344662210 /nfs/dbraw/zinc/66/22/10/344662210.db2.gz ZIIACGWFJNTNDO-SNVBAGLBSA-N 1 2 228.267 1.543 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005074 344666905 /nfs/dbraw/zinc/66/69/05/344666905.db2.gz UVDNZHQEISNFEF-QWRGUYRKSA-N 1 2 239.294 1.598 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005074 344666906 /nfs/dbraw/zinc/66/69/06/344666906.db2.gz UVDNZHQEISNFEF-QWRGUYRKSA-N 1 2 239.294 1.598 20 0 BDADLO CCOCC[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017255 344673885 /nfs/dbraw/zinc/67/38/85/344673885.db2.gz DIWFWKOFASXDBX-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017255 344673886 /nfs/dbraw/zinc/67/38/86/344673886.db2.gz DIWFWKOFASXDBX-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CC1(C)CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000620735885 344679093 /nfs/dbraw/zinc/67/90/93/344679093.db2.gz JABOEPHQYOUQIG-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO CCOC(=O)CCN(C)c1cccc[nH+]1 ZINC000050087132 344721744 /nfs/dbraw/zinc/72/17/44/344721744.db2.gz IIFPUMFTFOLHOF-UHFFFAOYSA-N 1 2 208.261 1.471 20 0 BDADLO C[C@]12CCCC[C@H]1C[N@@H+]2CCc1cnn[nH]1 ZINC000626103565 344740917 /nfs/dbraw/zinc/74/09/17/344740917.db2.gz GERZZRRHMAASSG-JQWIXIFHSA-N 1 2 220.320 1.612 20 0 BDADLO C[C@]12CCCC[C@H]1C[N@H+]2CCc1cnn[nH]1 ZINC000626103565 344740918 /nfs/dbraw/zinc/74/09/18/344740918.db2.gz GERZZRRHMAASSG-JQWIXIFHSA-N 1 2 220.320 1.612 20 0 BDADLO CCCNC(=O)CCNc1[nH+]cccc1OC ZINC000127977494 344701083 /nfs/dbraw/zinc/70/10/83/344701083.db2.gz OFDGBSCYPGRSHJ-UHFFFAOYSA-N 1 2 237.303 1.418 20 0 BDADLO CC(C)(C)OC(=O)CCNc1cc[nH+]cc1F ZINC000603296372 349915262 /nfs/dbraw/zinc/91/52/62/349915262.db2.gz IXIBEYZYPBRXJG-UHFFFAOYSA-N 1 2 240.278 1.786 20 0 BDADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccn(C)n1 ZINC000622519446 344715423 /nfs/dbraw/zinc/71/54/23/344715423.db2.gz BAULBVZVDVPRLF-UHFFFAOYSA-N 1 2 247.302 1.084 20 0 BDADLO CN(C(=O)C(C)(C)c1c[nH]c[nH+]1)c1ccn(C)n1 ZINC000622519446 344715425 /nfs/dbraw/zinc/71/54/25/344715425.db2.gz BAULBVZVDVPRLF-UHFFFAOYSA-N 1 2 247.302 1.084 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccco1 ZINC000050065866 344718288 /nfs/dbraw/zinc/71/82/88/344718288.db2.gz JKNRUJJVTWERJN-UHFFFAOYSA-N 1 2 211.261 1.665 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccco1 ZINC000050065866 344718290 /nfs/dbraw/zinc/71/82/90/344718290.db2.gz JKNRUJJVTWERJN-UHFFFAOYSA-N 1 2 211.261 1.665 20 0 BDADLO CN1C[C@H](C[N@H+](C)Cc2nccs2)OC1=O ZINC000496907269 530028639 /nfs/dbraw/zinc/02/86/39/530028639.db2.gz JCUXRTXMSPVFJX-QMMMGPOBSA-N 1 2 241.316 1.026 20 0 BDADLO CN1C[C@H](C[N@@H+](C)Cc2nccs2)OC1=O ZINC000496907269 530028641 /nfs/dbraw/zinc/02/86/41/530028641.db2.gz JCUXRTXMSPVFJX-QMMMGPOBSA-N 1 2 241.316 1.026 20 0 BDADLO C[C@@H](CC[S@@](C)=O)Nc1cc[nH+]cc1F ZINC000603303707 349916834 /nfs/dbraw/zinc/91/68/34/349916834.db2.gz QVRAFVWZVKPDAE-VXJOIVPMSA-N 1 2 230.308 1.212 20 0 BDADLO COc1ccc[nH+]c1NCC(C)(C)CCO ZINC000227918760 323077230 /nfs/dbraw/zinc/07/72/30/323077230.db2.gz DGUWVZWROWSMRQ-UHFFFAOYSA-N 1 2 224.304 1.911 20 0 BDADLO CC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000370884049 187292652 /nfs/dbraw/zinc/29/26/52/187292652.db2.gz UGUXRTIAOPIJOZ-CYBMUJFWSA-N 1 2 246.310 1.050 20 0 BDADLO CC(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000370884049 187292653 /nfs/dbraw/zinc/29/26/53/187292653.db2.gz UGUXRTIAOPIJOZ-CYBMUJFWSA-N 1 2 246.310 1.050 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCCOc1ccccc1 ZINC000075637017 344782382 /nfs/dbraw/zinc/78/23/82/344782382.db2.gz GGXMPOYKPXEVFA-LBPRGKRZSA-N 1 2 248.326 1.276 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccccc1 ZINC000075637017 344782383 /nfs/dbraw/zinc/78/23/83/344782383.db2.gz GGXMPOYKPXEVFA-LBPRGKRZSA-N 1 2 248.326 1.276 20 0 BDADLO Cc1nnc(NCc2ccc[nH+]c2N(C)C)s1 ZINC000077488732 344820970 /nfs/dbraw/zinc/82/09/70/344820970.db2.gz YWDGJDSNGPXCOZ-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO COC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000078256235 344836161 /nfs/dbraw/zinc/83/61/61/344836161.db2.gz IFACAOZCFNVCRR-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO Cc1nc(NCCN(C)CC(F)(F)F)cc[nH+]1 ZINC000078250145 344837097 /nfs/dbraw/zinc/83/70/97/344837097.db2.gz FDLWTNRJLSBPSS-UHFFFAOYSA-N 1 2 248.252 1.691 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC=CCC1 ZINC000077537310 344822062 /nfs/dbraw/zinc/82/20/62/344822062.db2.gz DXARLTDNIZTHOY-RYUDHWBXSA-N 1 2 248.330 1.680 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000408465045 344827266 /nfs/dbraw/zinc/82/72/66/344827266.db2.gz HTUQZLVLZBMUTD-PSASIEDQSA-N 1 2 224.308 1.285 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000408465045 344827267 /nfs/dbraw/zinc/82/72/67/344827267.db2.gz HTUQZLVLZBMUTD-PSASIEDQSA-N 1 2 224.308 1.285 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1F ZINC000424797338 192078726 /nfs/dbraw/zinc/07/87/26/192078726.db2.gz RHACXPUCLGZRAJ-AUTRQRHGSA-N 1 2 237.278 1.062 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000678624908 488273861 /nfs/dbraw/zinc/27/38/61/488273861.db2.gz SLYAAVUKCXTBJC-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000678624908 488273862 /nfs/dbraw/zinc/27/38/62/488273862.db2.gz SLYAAVUKCXTBJC-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CCC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000153303412 344847597 /nfs/dbraw/zinc/84/75/97/344847597.db2.gz CBBAVFPOZVFCTE-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc[nH+]1 ZINC000078565998 344883703 /nfs/dbraw/zinc/88/37/03/344883703.db2.gz NRQXMSDTNLMIHD-JMJZKYOTSA-N 1 2 246.314 1.206 20 0 BDADLO Cc1occc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153394944 344864694 /nfs/dbraw/zinc/86/46/94/344864694.db2.gz YVWRRFNCJVPYSN-SNVBAGLBSA-N 1 2 247.298 1.851 20 0 BDADLO C[C@@H](O)[C@@H](C)SCc1ccc[nH+]c1N ZINC000235298102 344876137 /nfs/dbraw/zinc/87/61/37/344876137.db2.gz SDUPZAHYYAYYRX-HTQZYQBOSA-N 1 2 212.318 1.666 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cc[nH]n2)[nH+]c1C ZINC000628170295 344885517 /nfs/dbraw/zinc/88/55/17/344885517.db2.gz WCLWGRANOWDRAO-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C)[C@H]2C)[nH+]1 ZINC000628175835 344899779 /nfs/dbraw/zinc/89/97/79/344899779.db2.gz LKOYITNEUFNUTM-ZJUUUORDSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000628176157 344900896 /nfs/dbraw/zinc/90/08/96/344900896.db2.gz YMHDENPUNVVCHI-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000628176157 344900898 /nfs/dbraw/zinc/90/08/98/344900898.db2.gz YMHDENPUNVVCHI-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000153544238 344901339 /nfs/dbraw/zinc/90/13/39/344901339.db2.gz YMDJPVRUXMVTQE-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(N(C)C[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000116260314 187294984 /nfs/dbraw/zinc/29/49/84/187294984.db2.gz NLUCNRRKQVZITJ-VIFPVBQESA-N 1 2 221.304 1.479 20 0 BDADLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccco1 ZINC000122804408 187295310 /nfs/dbraw/zinc/29/53/10/187295310.db2.gz VPISDDOMLKNEHU-UHFFFAOYSA-N 1 2 245.344 1.535 20 0 BDADLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccco1 ZINC000122804408 187295312 /nfs/dbraw/zinc/29/53/12/187295312.db2.gz VPISDDOMLKNEHU-UHFFFAOYSA-N 1 2 245.344 1.535 20 0 BDADLO CC(C)CC[S@@](=O)Cc1[nH+]ccn1C ZINC000129315433 187297245 /nfs/dbraw/zinc/29/72/45/187297245.db2.gz KUYRUSPBYPHUGI-AWEZNQCLSA-N 1 2 214.334 1.715 20 0 BDADLO CCc1nnc(SCc2cc[nH+]c(N)c2)o1 ZINC000641562296 362502545 /nfs/dbraw/zinc/50/25/45/362502545.db2.gz VKDZIXVRDUOLID-UHFFFAOYSA-N 1 2 236.300 1.732 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@]3(C2)CCCOC3)c1 ZINC000641561916 362502721 /nfs/dbraw/zinc/50/27/21/362502721.db2.gz GKIQWBFAPLUFSV-CQSZACIVSA-N 1 2 248.326 1.581 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154229989 345021515 /nfs/dbraw/zinc/02/15/15/345021515.db2.gz AKYJLPLVUCJWBO-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154229989 345021519 /nfs/dbraw/zinc/02/15/19/345021519.db2.gz AKYJLPLVUCJWBO-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccn1 ZINC000154260004 345022585 /nfs/dbraw/zinc/02/25/85/345022585.db2.gz KSKZZNDRLSANFV-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccn1 ZINC000154260004 345022586 /nfs/dbraw/zinc/02/25/86/345022586.db2.gz KSKZZNDRLSANFV-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000154275925 345023181 /nfs/dbraw/zinc/02/31/81/345023181.db2.gz OMIMCRJORGATCQ-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000154275925 345023183 /nfs/dbraw/zinc/02/31/83/345023183.db2.gz OMIMCRJORGATCQ-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO OCc1cc[nH+]c(NCC2=CCOCC2)c1 ZINC000641616254 362550050 /nfs/dbraw/zinc/55/00/50/362550050.db2.gz YOFOZOVNJWMCNN-UHFFFAOYSA-N 1 2 220.272 1.333 20 0 BDADLO CO[C@@](C)(CNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641622631 362553881 /nfs/dbraw/zinc/55/38/81/362553881.db2.gz MPXCBGYYSOBBBF-ZDUSSCGKSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@@H](Cc1cnn(C)c1)Nc1cc(CO)cc[nH+]1 ZINC000641622083 362554170 /nfs/dbraw/zinc/55/41/70/362554170.db2.gz NVQLQSVEPBZJGK-JTQLQIEISA-N 1 2 246.314 1.351 20 0 BDADLO COC1(CCNc2cc(CO)cc[nH+]2)CCC1 ZINC000641611325 362546043 /nfs/dbraw/zinc/54/60/43/362546043.db2.gz QKIUVFPDUKRASQ-UHFFFAOYSA-N 1 2 236.315 1.945 20 0 BDADLO C[C@H]1SCC[C@H]1Nc1cc[nH+]cc1F ZINC000641646668 362572313 /nfs/dbraw/zinc/57/23/13/362572313.db2.gz LLFRDZOKDBUAJN-VXNVDRBHSA-N 1 2 212.293 1.949 20 0 BDADLO COCC1(CCNc2cc[nH+]cc2F)CC1 ZINC000641646357 362572474 /nfs/dbraw/zinc/57/24/74/362572474.db2.gz RPIRGMUHTDZZKH-UHFFFAOYSA-N 1 2 224.279 1.871 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155876713 345110021 /nfs/dbraw/zinc/11/00/21/345110021.db2.gz TUTXTLBPVILLHR-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO Fc1c[nH+]ccc1NCCC[C@@H]1CCOC1 ZINC000641629825 362560508 /nfs/dbraw/zinc/56/05/08/362560508.db2.gz OMAZFIMQHDYPMX-SNVBAGLBSA-N 1 2 224.279 1.871 20 0 BDADLO C[C@@H]1C[C@@H](CNc2cc[nH+]cc2F)[C@@H](C)O1 ZINC000641633513 362561425 /nfs/dbraw/zinc/56/14/25/362561425.db2.gz DJUPQMNMGUPYCV-BBBLOLIVSA-N 1 2 224.279 1.868 20 0 BDADLO C[C@@H]1C[C@H](CNc2cc[nH+]cc2F)[C@@H](C)O1 ZINC000641633515 362561488 /nfs/dbraw/zinc/56/14/88/362561488.db2.gz DJUPQMNMGUPYCV-OPRDCNLKSA-N 1 2 224.279 1.868 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)CS1 ZINC000641631320 362562625 /nfs/dbraw/zinc/56/26/25/362562625.db2.gz HXAKRVBVFFUPSG-HTQZYQBOSA-N 1 2 212.293 1.949 20 0 BDADLO CON1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000641637687 362566134 /nfs/dbraw/zinc/56/61/34/362566134.db2.gz PFAQYBLCRHHCBJ-UHFFFAOYSA-N 1 2 225.267 1.080 20 0 BDADLO Cc1cc(NC(=O)Cc2ccn(C)n2)c(C)c[nH+]1 ZINC000561636011 345167575 /nfs/dbraw/zinc/16/75/75/345167575.db2.gz JLRYYTOSUMRJTF-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO Cn1c[nH+]c(CSC[C@H]2CCCO2)c1 ZINC000603331180 349925049 /nfs/dbraw/zinc/92/50/49/349925049.db2.gz TYOSBFIKNQWKEI-SNVBAGLBSA-N 1 2 212.318 1.832 20 0 BDADLO c1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)no1 ZINC000634968751 345141693 /nfs/dbraw/zinc/14/16/93/345141693.db2.gz WNGUVHHYLJOJLB-VIFPVBQESA-N 1 2 218.260 1.045 20 0 BDADLO OC1(C(F)F)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000425276972 192086623 /nfs/dbraw/zinc/08/66/23/192086623.db2.gz QLEZPVMLZIBBNF-UHFFFAOYSA-N 1 2 241.241 1.170 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635058809 345232269 /nfs/dbraw/zinc/23/22/69/345232269.db2.gz HKSFUZBNCXOISA-GHMZBOCLSA-N 1 2 233.315 1.962 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635058809 345232271 /nfs/dbraw/zinc/23/22/71/345232271.db2.gz HKSFUZBNCXOISA-GHMZBOCLSA-N 1 2 233.315 1.962 20 0 BDADLO CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635070313 345239574 /nfs/dbraw/zinc/23/95/74/345239574.db2.gz TVUPWRWCSLECKM-JTQLQIEISA-N 1 2 209.293 1.606 20 0 BDADLO CC(C)C[C@H](C(=O)NC1CC1)n1cc[nH+]c1 ZINC000635084877 345243486 /nfs/dbraw/zinc/24/34/86/345243486.db2.gz FXUBBBMVCRDGTM-LLVKDONJSA-N 1 2 221.304 1.749 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000408468357 345318704 /nfs/dbraw/zinc/31/87/04/345318704.db2.gz QFTVZBOLNYGUIN-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000408468357 345318707 /nfs/dbraw/zinc/31/87/07/345318707.db2.gz QFTVZBOLNYGUIN-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO CSC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493457588 323085962 /nfs/dbraw/zinc/08/59/62/323085962.db2.gz JUCFNKPDHANMJB-RTMURIBGSA-N 1 2 225.317 1.291 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cncs1 ZINC000130866411 345288133 /nfs/dbraw/zinc/28/81/33/345288133.db2.gz RZRNDXPBRUWLSM-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cncs1 ZINC000130866411 345288137 /nfs/dbraw/zinc/28/81/37/345288137.db2.gz RZRNDXPBRUWLSM-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO CCCN(C)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635449291 345375994 /nfs/dbraw/zinc/37/59/94/345375994.db2.gz UBFPJCGQUIULMU-UHFFFAOYSA-N 1 2 209.293 1.383 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H](C)C2)[nH+]1 ZINC000635467682 345385153 /nfs/dbraw/zinc/38/51/53/345385153.db2.gz VYWQQASPQRFWAK-VIFPVBQESA-N 1 2 221.304 1.383 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000635506858 345405953 /nfs/dbraw/zinc/40/59/53/345405953.db2.gz WHJDOTCUGSTPHD-MWLCHTKSSA-N 1 2 235.331 1.819 20 0 BDADLO Cn1cc(C[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000080672723 345416979 /nfs/dbraw/zinc/41/69/79/345416979.db2.gz SMAWJSTWHWQNCN-GFCCVEGCSA-N 1 2 242.326 1.884 20 0 BDADLO C[C@H](C[S@@](C)=O)Nc1cc(C2CC2)[nH+]cn1 ZINC000603335830 349927539 /nfs/dbraw/zinc/92/75/39/349927539.db2.gz YPIROEFRPYHAMR-VPTHRUTESA-N 1 2 239.344 1.533 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC000635482173 345391342 /nfs/dbraw/zinc/39/13/42/345391342.db2.gz HSKSPINKOWFWGP-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC000635482173 345391344 /nfs/dbraw/zinc/39/13/44/345391344.db2.gz HSKSPINKOWFWGP-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CC(C)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635497958 345400128 /nfs/dbraw/zinc/40/01/28/345400128.db2.gz VPCXLICNIMMHPO-GHMZBOCLSA-N 1 2 233.315 1.913 20 0 BDADLO CC(C)N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635497958 345400131 /nfs/dbraw/zinc/40/01/31/345400131.db2.gz VPCXLICNIMMHPO-GHMZBOCLSA-N 1 2 233.315 1.913 20 0 BDADLO CC1(C)OCC[C@H]1CNc1cc[nH+]cc1F ZINC000641671798 362596682 /nfs/dbraw/zinc/59/66/82/362596682.db2.gz YLUVQZBYQNXZQA-VIFPVBQESA-N 1 2 224.279 1.870 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@@]1(C)CO ZINC000641667915 362587568 /nfs/dbraw/zinc/58/75/68/362587568.db2.gz AWWMKIWBQRBBQA-CABZTGNLSA-N 1 2 224.279 1.675 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)CCS1 ZINC000083005933 345503933 /nfs/dbraw/zinc/50/39/33/345503933.db2.gz HRHZKEPOGCQCMD-UHFFFAOYSA-N 1 2 239.344 1.237 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@H]2COC[C@@H]2C1 ZINC000641667001 362589055 /nfs/dbraw/zinc/58/90/55/362589055.db2.gz OOADXHMRYOSQFO-UWVGGRQHSA-N 1 2 222.263 1.693 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCSC(C)(C)C1 ZINC000083416267 345505781 /nfs/dbraw/zinc/50/57/81/345505781.db2.gz APTFEWTZQLYBHJ-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO Cn1ncnc1C[N@H+]1CCSC(C)(C)C1 ZINC000083416267 345505782 /nfs/dbraw/zinc/50/57/82/345505782.db2.gz APTFEWTZQLYBHJ-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO CC(C)(Nc1ncc(F)cn1)c1[nH]cc[nH+]1 ZINC000641665380 362590190 /nfs/dbraw/zinc/59/01/90/362590190.db2.gz VCORPANBEKNFIX-UHFFFAOYSA-N 1 2 221.239 1.686 20 0 BDADLO CCN(CC(C)(C)O)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080986707 345458494 /nfs/dbraw/zinc/45/84/94/345458494.db2.gz YJTBPIMFGILVAK-UHFFFAOYSA-N 1 2 248.330 1.864 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000081454764 345475457 /nfs/dbraw/zinc/47/54/57/345475457.db2.gz OXFBQCPXGUSJKR-QWHCGFSZSA-N 1 2 247.342 1.968 20 0 BDADLO CCC(CC)(CC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081453865 345475491 /nfs/dbraw/zinc/47/54/91/345475491.db2.gz KVFPOXWOJXGHIJ-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCC(CC)(CC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081453865 345475492 /nfs/dbraw/zinc/47/54/92/345475492.db2.gz KVFPOXWOJXGHIJ-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC(C)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177761766 187307390 /nfs/dbraw/zinc/30/73/90/187307390.db2.gz CAINKCVJNZQAGV-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)on1 ZINC000090009738 345562701 /nfs/dbraw/zinc/56/27/01/345562701.db2.gz VNAWUNFXDKISKW-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)on1 ZINC000090009738 345562704 /nfs/dbraw/zinc/56/27/04/345562704.db2.gz VNAWUNFXDKISKW-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)on1 ZINC000090009739 345562962 /nfs/dbraw/zinc/56/29/62/345562962.db2.gz VNAWUNFXDKISKW-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)on1 ZINC000090009739 345562964 /nfs/dbraw/zinc/56/29/64/345562964.db2.gz VNAWUNFXDKISKW-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO CC(C)C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591826 345600165 /nfs/dbraw/zinc/60/01/65/345600165.db2.gz KAGFNGWDPTUVGK-SNVBAGLBSA-N 1 2 238.335 1.356 20 0 BDADLO CC(C)C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591826 345600166 /nfs/dbraw/zinc/60/01/66/345600166.db2.gz KAGFNGWDPTUVGK-SNVBAGLBSA-N 1 2 238.335 1.356 20 0 BDADLO CCC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591453 345600422 /nfs/dbraw/zinc/60/04/22/345600422.db2.gz JWHMXSOFVPQNEV-SECBINFHSA-N 1 2 224.308 1.110 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591453 345600423 /nfs/dbraw/zinc/60/04/23/345600423.db2.gz JWHMXSOFVPQNEV-SECBINFHSA-N 1 2 224.308 1.110 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000092738534 345637397 /nfs/dbraw/zinc/63/73/97/345637397.db2.gz FVIKBBKFWPKYSE-HTQZYQBOSA-N 1 2 222.244 1.151 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000091900051 345611703 /nfs/dbraw/zinc/61/17/03/345611703.db2.gz RSLUDCYYJNZVFX-PWSUYJOCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000091900051 345611705 /nfs/dbraw/zinc/61/17/05/345611705.db2.gz RSLUDCYYJNZVFX-PWSUYJOCSA-N 1 2 223.320 1.311 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)CC[S@](=O)C1 ZINC000603361511 349933060 /nfs/dbraw/zinc/93/30/60/349933060.db2.gz ZOZPSDIRULBAOA-FVMDXXJSSA-N 1 2 242.319 1.426 20 0 BDADLO Cc1cccnc1C[N@H+]1CCOC[C@H]1C ZINC000093158808 345657877 /nfs/dbraw/zinc/65/78/77/345657877.db2.gz NCUFXKDUDJHKAU-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCOC[C@H]1C ZINC000093158808 345657881 /nfs/dbraw/zinc/65/78/81/345657881.db2.gz NCUFXKDUDJHKAU-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000092977873 345650507 /nfs/dbraw/zinc/65/05/07/345650507.db2.gz HVEMKWRHCZIHJU-QPUJVOFHSA-N 1 2 235.331 1.609 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000092977755 345650521 /nfs/dbraw/zinc/65/05/21/345650521.db2.gz YCERHCMVKUVLIF-MNOVXSKESA-N 1 2 235.331 1.807 20 0 BDADLO Cc1cncnc1Nc1c[nH+]cc(N(C)C)c1 ZINC000641680343 362602447 /nfs/dbraw/zinc/60/24/47/362602447.db2.gz OUFRFAFGMULHPF-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C(F)F)[nH+]1 ZINC000641729610 362644339 /nfs/dbraw/zinc/64/43/39/362644339.db2.gz JCDBQIGLUXMMDF-YFKPBYRVSA-N 1 2 226.230 1.754 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C(F)F ZINC000641729984 362645352 /nfs/dbraw/zinc/64/53/52/362645352.db2.gz QDNLZJBZCRAAAU-LURJTMIESA-N 1 2 213.231 1.841 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc[nH]n1 ZINC000093455702 345671367 /nfs/dbraw/zinc/67/13/67/345671367.db2.gz ZSVQPVBNUOOJHC-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000093455702 345671370 /nfs/dbraw/zinc/67/13/70/345671370.db2.gz ZSVQPVBNUOOJHC-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCOCC(F)F ZINC000189331089 259384719 /nfs/dbraw/zinc/38/47/19/259384719.db2.gz IKCJAVTXAWAYJQ-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCOCC(F)F ZINC000189331089 259384721 /nfs/dbraw/zinc/38/47/21/259384721.db2.gz IKCJAVTXAWAYJQ-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO COc1cnn(Cc2ccc(C)[nH+]c2)c1 ZINC000641729159 362651457 /nfs/dbraw/zinc/65/14/57/362651457.db2.gz UNCPFOCOEVZLKK-UHFFFAOYSA-N 1 2 203.245 1.643 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2ccc(C)cc2C1 ZINC000082791745 345759513 /nfs/dbraw/zinc/75/95/13/345759513.db2.gz PUYODBMKIRYLDW-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2ccc(C)cc2C1 ZINC000082791745 345759516 /nfs/dbraw/zinc/75/95/16/345759516.db2.gz PUYODBMKIRYLDW-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C)n2)s1 ZINC000205841052 345733234 /nfs/dbraw/zinc/73/32/34/345733234.db2.gz HWRXQTGOAGKIAI-UHFFFAOYSA-N 1 2 221.289 1.557 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000140766806 345822098 /nfs/dbraw/zinc/82/20/98/345822098.db2.gz VPMRBNVHUREKKB-SSDOTTSWSA-N 1 2 234.259 1.506 20 0 BDADLO C[C@@H](NC(=O)CC[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000140963815 345825839 /nfs/dbraw/zinc/82/58/39/345825839.db2.gz MGWREEHNONWCFI-NXEZZACHSA-N 1 2 237.303 1.546 20 0 BDADLO CCC(=O)CCCSC[C@H]1C[N@H+](C)CCO1 ZINC000400843525 345827114 /nfs/dbraw/zinc/82/71/14/345827114.db2.gz CYWVEDLBVGTVCL-GFCCVEGCSA-N 1 2 245.388 1.810 20 0 BDADLO CCC(=O)CCCSC[C@H]1C[N@@H+](C)CCO1 ZINC000400843525 345827118 /nfs/dbraw/zinc/82/71/18/345827118.db2.gz CYWVEDLBVGTVCL-GFCCVEGCSA-N 1 2 245.388 1.810 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC1 ZINC000635613091 345890448 /nfs/dbraw/zinc/89/04/48/345890448.db2.gz DIGVOAIMKJNHBY-NXEZZACHSA-N 1 2 219.288 1.524 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC1 ZINC000635613091 345890452 /nfs/dbraw/zinc/89/04/52/345890452.db2.gz DIGVOAIMKJNHBY-NXEZZACHSA-N 1 2 219.288 1.524 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000635649849 345927219 /nfs/dbraw/zinc/92/72/19/345927219.db2.gz UBJKROYMJMFEKI-LMLFDSFASA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000635649849 345927223 /nfs/dbraw/zinc/92/72/23/345927223.db2.gz UBJKROYMJMFEKI-LMLFDSFASA-N 1 2 233.315 1.770 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cccnc2C)[nH+]1 ZINC000635635210 345909531 /nfs/dbraw/zinc/90/95/31/345909531.db2.gz LGTZJZAQLBNTLI-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO CCN1CC[N@H+](Cc2nc(C)ccc2O)C[C@H]1C ZINC000250379081 537926936 /nfs/dbraw/zinc/92/69/36/537926936.db2.gz WRSKICOSGVVKLV-GFCCVEGCSA-N 1 2 249.358 1.622 20 0 BDADLO CCN1CC[N@@H+](Cc2nc(C)ccc2O)C[C@H]1C ZINC000250379081 537926943 /nfs/dbraw/zinc/92/69/43/537926943.db2.gz WRSKICOSGVVKLV-GFCCVEGCSA-N 1 2 249.358 1.622 20 0 BDADLO Cc1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000605570816 345968894 /nfs/dbraw/zinc/96/88/94/345968894.db2.gz JBLRGAFQQZBTRJ-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635669341 345969744 /nfs/dbraw/zinc/96/97/44/345969744.db2.gz GEKRMVJRHLDTKF-GMTAPVOTSA-N 1 2 233.315 1.772 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635669341 345969747 /nfs/dbraw/zinc/96/97/47/345969747.db2.gz GEKRMVJRHLDTKF-GMTAPVOTSA-N 1 2 233.315 1.772 20 0 BDADLO CCn1cc[nH+]c1CNCC(F)(F)C(F)F ZINC000234215428 537928182 /nfs/dbraw/zinc/92/81/82/537928182.db2.gz ULPLDQNPPOXQEI-UHFFFAOYSA-N 1 2 239.216 1.893 20 0 BDADLO CCc1c[nH]c(CC(=O)N2[C@H](C)CC[C@H]2C)[nH+]1 ZINC000635677714 345974623 /nfs/dbraw/zinc/97/46/23/345974623.db2.gz VRTCDJOGVUCFBS-NXEZZACHSA-N 1 2 235.331 1.914 20 0 BDADLO CCc1c[nH]c(CC(=O)N2[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000635677713 345974745 /nfs/dbraw/zinc/97/47/45/345974745.db2.gz VRTCDJOGVUCFBS-AOOOYVTPSA-N 1 2 235.331 1.914 20 0 BDADLO COC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000635781749 346056764 /nfs/dbraw/zinc/05/67/64/346056764.db2.gz OGVYFBQLEXLOHI-NXEZZACHSA-N 1 2 249.314 1.199 20 0 BDADLO COC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000635781749 346056767 /nfs/dbraw/zinc/05/67/67/346056767.db2.gz OGVYFBQLEXLOHI-NXEZZACHSA-N 1 2 249.314 1.199 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2CCCC[N@H+]2C)s1 ZINC000635728943 346041536 /nfs/dbraw/zinc/04/15/36/346041536.db2.gz XYMJALNCVIGERT-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC000635728943 346041538 /nfs/dbraw/zinc/04/15/38/346041538.db2.gz XYMJALNCVIGERT-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cn[nH]c1 ZINC000635738029 346045544 /nfs/dbraw/zinc/04/55/44/346045544.db2.gz HZEBEQPIBPMMLX-SZEHBUNVSA-N 1 2 245.286 1.114 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000635738029 346045550 /nfs/dbraw/zinc/04/55/50/346045550.db2.gz HZEBEQPIBPMMLX-SZEHBUNVSA-N 1 2 245.286 1.114 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)c2cn[nH]c2)[nH+]1 ZINC000635738270 346045853 /nfs/dbraw/zinc/04/58/53/346045853.db2.gz NVEUGIYWNJYLCT-MRVPVSSYSA-N 1 2 247.302 1.115 20 0 BDADLO C1CC1c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329732721 187364238 /nfs/dbraw/zinc/36/42/38/187364238.db2.gz QJPMFFNYDFGCNH-QWRGUYRKSA-N 1 2 249.314 1.873 20 0 BDADLO C1CC1c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329732721 187364239 /nfs/dbraw/zinc/36/42/39/187364239.db2.gz QJPMFFNYDFGCNH-QWRGUYRKSA-N 1 2 249.314 1.873 20 0 BDADLO CCC(=O)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635751026 346048989 /nfs/dbraw/zinc/04/89/89/346048989.db2.gz XCEBGBQBGARPML-UHFFFAOYSA-N 1 2 245.282 1.352 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCC3(CC3)C2)[nH+]1 ZINC000635811171 346073826 /nfs/dbraw/zinc/07/38/26/346073826.db2.gz HXFHSHWEEPUCRN-UHFFFAOYSA-N 1 2 247.342 1.917 20 0 BDADLO CC(C)(C)N1C[C@@H]([NH2+]Cc2cocn2)CC1=O ZINC000192321714 187314680 /nfs/dbraw/zinc/31/46/80/187314680.db2.gz XGUQPEHYUUPUAM-VIFPVBQESA-N 1 2 237.303 1.164 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCCCO2)[nH+]1 ZINC000635842302 346084107 /nfs/dbraw/zinc/08/41/07/346084107.db2.gz LBTMOBUPIRNOMD-UHFFFAOYSA-N 1 2 237.303 1.459 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635845439 346089067 /nfs/dbraw/zinc/08/90/67/346089067.db2.gz ISDZYYLISQJKII-GHMZBOCLSA-N 1 2 233.315 1.986 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635845439 346089071 /nfs/dbraw/zinc/08/90/71/346089071.db2.gz ISDZYYLISQJKII-GHMZBOCLSA-N 1 2 233.315 1.986 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635792448 346064154 /nfs/dbraw/zinc/06/41/54/346064154.db2.gz HIYFQKPKXZWDHT-DCJFZGGZSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635792448 346064157 /nfs/dbraw/zinc/06/41/57/346064157.db2.gz HIYFQKPKXZWDHT-DCJFZGGZSA-N 1 2 249.314 1.197 20 0 BDADLO CC(C)C[C@@H](C(=O)N1CC(F)C1)n1cc[nH+]c1 ZINC000635793142 346064339 /nfs/dbraw/zinc/06/43/39/346064339.db2.gz RXBXVNRIRPQIEF-NSHDSACASA-N 1 2 239.294 1.651 20 0 BDADLO CC(C)OCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635795390 346065512 /nfs/dbraw/zinc/06/55/12/346065512.db2.gz GDMZTQXMCDZOEQ-NXEZZACHSA-N 1 2 237.303 1.054 20 0 BDADLO CC(C)OCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635795390 346065513 /nfs/dbraw/zinc/06/55/13/346065513.db2.gz GDMZTQXMCDZOEQ-NXEZZACHSA-N 1 2 237.303 1.054 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cnc(C)o1 ZINC000628240880 346203301 /nfs/dbraw/zinc/20/33/01/346203301.db2.gz YTJZMIHNXAFNTN-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cnc(C)o1 ZINC000628240880 346203303 /nfs/dbraw/zinc/20/33/03/346203303.db2.gz YTJZMIHNXAFNTN-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628244496 346206848 /nfs/dbraw/zinc/20/68/48/346206848.db2.gz JLHFCMMZBIOSKO-CABZTGNLSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628244496 346206851 /nfs/dbraw/zinc/20/68/51/346206851.db2.gz JLHFCMMZBIOSKO-CABZTGNLSA-N 1 2 240.303 1.219 20 0 BDADLO Cc1c[nH]c(CN2CC[C@H](C)[C@@H](F)C2)[nH+]1 ZINC000628234731 346188208 /nfs/dbraw/zinc/18/82/08/346188208.db2.gz LEWAEQKYDBEPKH-WPRPVWTQSA-N 1 2 211.284 1.898 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@@H]1O ZINC000167083134 346190909 /nfs/dbraw/zinc/19/09/09/346190909.db2.gz ZPHNYMIJJFPESY-MFKMUULPSA-N 1 2 245.326 1.780 20 0 BDADLO CCN1CCC[N@H+](Cc2cnc(C)o2)CC1=O ZINC000628246823 346214103 /nfs/dbraw/zinc/21/41/03/346214103.db2.gz FAZRBRVWAMRSPH-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCN1CCC[N@@H+](Cc2cnc(C)o2)CC1=O ZINC000628246823 346214106 /nfs/dbraw/zinc/21/41/06/346214106.db2.gz FAZRBRVWAMRSPH-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCc1cc(N(C)C[C@@H]2CCCOC2)nc[nH+]1 ZINC000603391911 349945066 /nfs/dbraw/zinc/94/50/66/349945066.db2.gz IDDPFQJROUFXIU-NSHDSACASA-N 1 2 235.331 1.902 20 0 BDADLO Cc1noc(C)c1N(C)CC[NH+]1CCOCC1 ZINC000673715510 488305580 /nfs/dbraw/zinc/30/55/80/488305580.db2.gz JDDJATFVUDSRKO-UHFFFAOYSA-N 1 2 239.319 1.060 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1=CCCC1)C(C)C ZINC000401121517 346235868 /nfs/dbraw/zinc/23/58/68/346235868.db2.gz NWGMDWSWPXLBPP-LLVKDONJSA-N 1 2 211.305 1.884 20 0 BDADLO COC(=O)[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1C ZINC000603392407 349944819 /nfs/dbraw/zinc/94/48/19/349944819.db2.gz IDAHCJOFNIURGO-RKDXNWHRSA-N 1 2 238.262 1.466 20 0 BDADLO Cc1cccc(C(=O)N2CC[NH+](C)CC2)c1O ZINC000019837135 179009692 /nfs/dbraw/zinc/00/96/92/179009692.db2.gz MXSAGTLKJCPMGM-UHFFFAOYSA-N 1 2 234.299 1.088 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628253161 346227159 /nfs/dbraw/zinc/22/71/59/346227159.db2.gz WRIOYJCJPBMNNP-SECBINFHSA-N 1 2 222.288 1.773 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628253161 346227163 /nfs/dbraw/zinc/22/71/63/346227163.db2.gz WRIOYJCJPBMNNP-SECBINFHSA-N 1 2 222.288 1.773 20 0 BDADLO CCc1nc(N2C[C@H](O)C[C@@H]2C2CC2)cc(C)[nH+]1 ZINC000631484440 346255085 /nfs/dbraw/zinc/25/50/85/346255085.db2.gz OSKBRTLXMGUULH-VXGBXAGGSA-N 1 2 247.342 1.697 20 0 BDADLO CC1(C)C[N@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000279740400 346259441 /nfs/dbraw/zinc/25/94/41/346259441.db2.gz KLCHRGMKSABPPF-QMMMGPOBSA-N 1 2 245.273 1.481 20 0 BDADLO CC1(C)C[N@@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000279740400 346259446 /nfs/dbraw/zinc/25/94/46/346259446.db2.gz KLCHRGMKSABPPF-QMMMGPOBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]([NH2+]Cc1ccncc1N)c1ccn(C)n1 ZINC000641761280 362684937 /nfs/dbraw/zinc/68/49/37/362684937.db2.gz QWMFFVPUFVNFNL-VIFPVBQESA-N 1 2 231.303 1.248 20 0 BDADLO Cc1cccc(C)c1OC[C@@H](O)Cn1cc[nH+]c1 ZINC000005612640 179047824 /nfs/dbraw/zinc/04/78/24/179047824.db2.gz PLQPLSRTZXSZCY-ZDUSSCGKSA-N 1 2 246.310 1.940 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ccc(C)cn1 ZINC000641767341 362700927 /nfs/dbraw/zinc/70/09/27/362700927.db2.gz ZDHCFZIRQNIWMQ-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636240252 346365826 /nfs/dbraw/zinc/36/58/26/346365826.db2.gz XNYHTBAEWZQQIK-LIVJGEBJSA-N 1 2 231.299 1.524 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636240252 346365830 /nfs/dbraw/zinc/36/58/30/346365830.db2.gz XNYHTBAEWZQQIK-LIVJGEBJSA-N 1 2 231.299 1.524 20 0 BDADLO CCC1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000563381304 323121905 /nfs/dbraw/zinc/12/19/05/323121905.db2.gz QREXMTWIHKGXOA-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO CCC1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000563381304 323121906 /nfs/dbraw/zinc/12/19/06/323121906.db2.gz QREXMTWIHKGXOA-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO CCN1CC[NH+](Cc2occc2C)CC1 ZINC000157430443 346382976 /nfs/dbraw/zinc/38/29/76/346382976.db2.gz BMAXTTGEOUNZFT-UHFFFAOYSA-N 1 2 208.305 1.726 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(F)c1 ZINC000156439339 346369398 /nfs/dbraw/zinc/36/93/98/346369398.db2.gz ZMFXTNZBIXBINA-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(F)c1 ZINC000156439339 346369399 /nfs/dbraw/zinc/36/93/99/346369399.db2.gz ZMFXTNZBIXBINA-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cnn(C)n2)c1 ZINC000290124418 179068901 /nfs/dbraw/zinc/06/89/01/179068901.db2.gz ZACGQXXCDMQWSN-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cnn(C)n2)c1 ZINC000290124418 179068904 /nfs/dbraw/zinc/06/89/04/179068904.db2.gz ZACGQXXCDMQWSN-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000574925223 346415266 /nfs/dbraw/zinc/41/52/66/346415266.db2.gz UMVIAALWFGFRSL-SNVBAGLBSA-N 1 2 223.320 1.751 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000574925223 346415268 /nfs/dbraw/zinc/41/52/68/346415268.db2.gz UMVIAALWFGFRSL-SNVBAGLBSA-N 1 2 223.320 1.751 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCO[C@H]2C2CC2)c[nH+]1 ZINC000332756021 346432245 /nfs/dbraw/zinc/43/22/45/346432245.db2.gz LISLPZBBQFISFB-ONGXEEELSA-N 1 2 235.287 1.015 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000641790604 362724618 /nfs/dbraw/zinc/72/46/18/362724618.db2.gz MJGQYOGAOLVCFY-RKDXNWHRSA-N 1 2 236.306 1.877 20 0 BDADLO COc1cc2c(nn1)CC[N@H+](CC(F)F)C2 ZINC000603412545 349961118 /nfs/dbraw/zinc/96/11/18/349961118.db2.gz DTHZROIIOOAMIU-UHFFFAOYSA-N 1 2 229.230 1.108 20 0 BDADLO COc1cc2c(nn1)CC[N@@H+](CC(F)F)C2 ZINC000603412545 349961120 /nfs/dbraw/zinc/96/11/20/349961120.db2.gz DTHZROIIOOAMIU-UHFFFAOYSA-N 1 2 229.230 1.108 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000577089628 365811189 /nfs/dbraw/zinc/81/11/89/365811189.db2.gz AYSFLCQULLMIEA-JOYOIKCWSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@H]([NH2+]Cc1ccc2c(c1)nnn2C)C(F)F ZINC000641793632 362735769 /nfs/dbraw/zinc/73/57/69/362735769.db2.gz MJRAGFUATFBKHJ-ZETCQYMHSA-N 1 2 240.257 1.712 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1OC2CCC1CC2 ZINC000636403897 346474273 /nfs/dbraw/zinc/47/42/73/346474273.db2.gz OXMKMLYRPPUMHQ-JPPWEJMLSA-N 1 2 247.298 1.598 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1OC2CCC1CC2 ZINC000636403897 346474276 /nfs/dbraw/zinc/47/42/76/346474276.db2.gz OXMKMLYRPPUMHQ-JPPWEJMLSA-N 1 2 247.298 1.598 20 0 BDADLO C[C@H]1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000580063743 346502959 /nfs/dbraw/zinc/50/29/59/346502959.db2.gz JGKZUSGDWXEZIU-DTWKUNHWSA-N 1 2 235.287 1.248 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186358734 346503158 /nfs/dbraw/zinc/50/31/58/346503158.db2.gz IQNRXCRVZHUGSX-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCc2occc21 ZINC000577117763 365823797 /nfs/dbraw/zinc/82/37/97/365823797.db2.gz QHCJLUTXXJVHNN-NSHDSACASA-N 1 2 245.282 1.670 20 0 BDADLO COCC1(CC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000401275795 346544917 /nfs/dbraw/zinc/54/49/17/346544917.db2.gz PIYMKGQZXXPYRN-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO C[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@H]1F ZINC000679226352 488322271 /nfs/dbraw/zinc/32/22/71/488322271.db2.gz UKMTXMNVWOYKMW-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1F ZINC000679226352 488322273 /nfs/dbraw/zinc/32/22/73/488322273.db2.gz UKMTXMNVWOYKMW-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO CC(C)n1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000577124346 365828644 /nfs/dbraw/zinc/82/86/44/365828644.db2.gz LLNULLKKCHOVJL-MRVPVSSYSA-N 1 2 248.290 1.073 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OCC ZINC000390547128 259393016 /nfs/dbraw/zinc/39/30/16/259393016.db2.gz NECNJAVYPNBPEN-GARJFASQSA-N 1 2 231.336 1.731 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1ccccn1 ZINC000577158420 365845897 /nfs/dbraw/zinc/84/58/97/365845897.db2.gz CGQIBJNUWQLZCN-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO Cc1ccc(CC[NH2+]Cc2cn[nH]c2C)o1 ZINC000309721577 347149161 /nfs/dbraw/zinc/14/91/61/347149161.db2.gz WEWQQYKDLXWCSV-UHFFFAOYSA-N 1 2 219.288 1.952 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000387943900 347130620 /nfs/dbraw/zinc/13/06/20/347130620.db2.gz FRLJXOXAEPOVBM-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000387943900 347130624 /nfs/dbraw/zinc/13/06/24/347130624.db2.gz FRLJXOXAEPOVBM-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@H]1C ZINC000641828666 362776488 /nfs/dbraw/zinc/77/64/88/362776488.db2.gz ROBCODBKMJVMLR-ZJUUUORDSA-N 1 2 236.319 1.768 20 0 BDADLO Cc1cccc([C@@H](C)[N@@H+]2CCNC(=O)C2)c1 ZINC000075592827 179180708 /nfs/dbraw/zinc/18/07/08/179180708.db2.gz ZISLAOUFOAYTJP-LLVKDONJSA-N 1 2 218.300 1.488 20 0 BDADLO Cc1cccc([C@@H](C)[N@H+]2CCNC(=O)C2)c1 ZINC000075592827 179180710 /nfs/dbraw/zinc/18/07/10/179180710.db2.gz ZISLAOUFOAYTJP-LLVKDONJSA-N 1 2 218.300 1.488 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)C(=O)OC ZINC000388211713 347238723 /nfs/dbraw/zinc/23/87/23/347238723.db2.gz GJLZXOCTKPJQPR-LSJOCFKGSA-N 1 2 229.320 1.341 20 0 BDADLO CO[C@H]([C@H](C)Nc1cc[nH+]c(C)n1)C1CC1 ZINC000388301322 347301208 /nfs/dbraw/zinc/30/12/08/347301208.db2.gz NQSUPVDEYRCLMI-QPUJVOFHSA-N 1 2 221.304 1.432 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1cnn[nH]1)CC2 ZINC000295892005 179216370 /nfs/dbraw/zinc/21/63/70/179216370.db2.gz DPDXDCBRBISDEK-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1cnn[nH]1)CC2 ZINC000295892005 179216372 /nfs/dbraw/zinc/21/63/72/179216372.db2.gz DPDXDCBRBISDEK-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1c[nH]nn1)CC2 ZINC000295892005 179216374 /nfs/dbraw/zinc/21/63/74/179216374.db2.gz DPDXDCBRBISDEK-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1c[nH]nn1)CC2 ZINC000295892005 179216375 /nfs/dbraw/zinc/21/63/75/179216375.db2.gz DPDXDCBRBISDEK-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(C)(CO)CC1 ZINC000571416294 323144206 /nfs/dbraw/zinc/14/42/06/323144206.db2.gz DQMNCDQJSDLCHC-UHFFFAOYSA-N 1 2 235.331 1.692 20 0 BDADLO CC(C)(F)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000618410449 347413684 /nfs/dbraw/zinc/41/36/84/347413684.db2.gz GVNVAUYAPFEZGH-UHFFFAOYSA-N 1 2 227.283 1.597 20 0 BDADLO CC(C)(F)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000618410449 347413687 /nfs/dbraw/zinc/41/36/87/347413687.db2.gz GVNVAUYAPFEZGH-UHFFFAOYSA-N 1 2 227.283 1.597 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1[nH]ccc1C1CC1 ZINC000616921796 347451044 /nfs/dbraw/zinc/45/10/44/347451044.db2.gz CPBRKZKHIWYUMM-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1[nH]ccc1C1CC1 ZINC000616921796 347451047 /nfs/dbraw/zinc/45/10/47/347451047.db2.gz CPBRKZKHIWYUMM-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC1(C)C ZINC000616921399 347451278 /nfs/dbraw/zinc/45/12/78/347451278.db2.gz PMBRHPYCICUYEY-SNVBAGLBSA-N 1 2 221.304 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC1(C)C ZINC000616921399 347451280 /nfs/dbraw/zinc/45/12/80/347451280.db2.gz PMBRHPYCICUYEY-SNVBAGLBSA-N 1 2 221.304 1.804 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)nc1C ZINC000616921334 347451585 /nfs/dbraw/zinc/45/15/85/347451585.db2.gz NLBUFRHLUPEPDX-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)nc1C ZINC000616921334 347451587 /nfs/dbraw/zinc/45/15/87/347451587.db2.gz NLBUFRHLUPEPDX-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C(=O)C2CC2)CC1 ZINC000616922275 347452603 /nfs/dbraw/zinc/45/26/03/347452603.db2.gz WKJLIFAQQKGTOS-UHFFFAOYSA-N 1 2 247.298 1.127 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C(=O)C2CC2)CC1 ZINC000616922275 347452606 /nfs/dbraw/zinc/45/26/06/347452606.db2.gz WKJLIFAQQKGTOS-UHFFFAOYSA-N 1 2 247.298 1.127 20 0 BDADLO CCc1cccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616922079 347452712 /nfs/dbraw/zinc/45/27/12/347452712.db2.gz OPDVTKGKYFEXIM-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CCc1cccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616922079 347452713 /nfs/dbraw/zinc/45/27/13/347452713.db2.gz OPDVTKGKYFEXIM-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CC(C)COCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923493 347453392 /nfs/dbraw/zinc/45/33/92/347453392.db2.gz JJWSOAYBZNMBLN-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO CC(C)COCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923493 347453394 /nfs/dbraw/zinc/45/33/94/347453394.db2.gz JJWSOAYBZNMBLN-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC1(F)F ZINC000616928533 347494840 /nfs/dbraw/zinc/49/48/40/347494840.db2.gz DMPFGUGAWSKVQI-SSDOTTSWSA-N 1 2 215.203 1.023 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC1(F)F ZINC000616928533 347494842 /nfs/dbraw/zinc/49/48/42/347494842.db2.gz DMPFGUGAWSKVQI-SSDOTTSWSA-N 1 2 215.203 1.023 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590730375 347497508 /nfs/dbraw/zinc/49/75/08/347497508.db2.gz IWRGHIRFXIMBDB-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO CC(C)n1nccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926442 347458225 /nfs/dbraw/zinc/45/82/25/347458225.db2.gz CCNWHFYYUQCCJC-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO CC(C)n1nccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926442 347458228 /nfs/dbraw/zinc/45/82/28/347458228.db2.gz CCNWHFYYUQCCJC-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO Cc1cccnc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926727 347458792 /nfs/dbraw/zinc/45/87/92/347458792.db2.gz NPDKWHUKNVCBFJ-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1cccnc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926727 347458796 /nfs/dbraw/zinc/45/87/96/347458796.db2.gz NPDKWHUKNVCBFJ-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC12CCC2 ZINC000616926512 347458886 /nfs/dbraw/zinc/45/88/86/347458886.db2.gz FWVGQPSZISDTEY-SNVBAGLBSA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC12CCC2 ZINC000616926512 347458887 /nfs/dbraw/zinc/45/88/87/347458887.db2.gz FWVGQPSZISDTEY-SNVBAGLBSA-N 1 2 219.288 1.558 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000590706115 347498142 /nfs/dbraw/zinc/49/81/42/347498142.db2.gz BYXREPCNSMKHOH-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602792 347475858 /nfs/dbraw/zinc/47/58/58/347475858.db2.gz XJVDDULATIBUOW-GFCCVEGCSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602792 347475861 /nfs/dbraw/zinc/47/58/61/347475861.db2.gz XJVDDULATIBUOW-GFCCVEGCSA-N 1 2 248.326 1.824 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)co1 ZINC000590605727 347477335 /nfs/dbraw/zinc/47/73/35/347477335.db2.gz MNEUZAACOVICJF-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)co1 ZINC000590605727 347477339 /nfs/dbraw/zinc/47/73/39/347477339.db2.gz MNEUZAACOVICJF-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@H](F)C2)c(C)o1 ZINC000590755511 347505015 /nfs/dbraw/zinc/50/50/15/347505015.db2.gz OQZMJTHOQGJWTK-JTQLQIEISA-N 1 2 241.262 1.918 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@H](F)C2)c(C)o1 ZINC000590755511 347505016 /nfs/dbraw/zinc/50/50/16/347505016.db2.gz OQZMJTHOQGJWTK-JTQLQIEISA-N 1 2 241.262 1.918 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC1(C)C)C2 ZINC000616265879 347510436 /nfs/dbraw/zinc/51/04/36/347510436.db2.gz GHCZLYJQHVQPQY-CABZTGNLSA-N 1 2 247.342 1.738 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC1(C)C)CC2 ZINC000616265879 347510442 /nfs/dbraw/zinc/51/04/42/347510442.db2.gz GHCZLYJQHVQPQY-CABZTGNLSA-N 1 2 247.342 1.738 20 0 BDADLO Cc1ccccc1CC(=O)NCc1[nH+]ccn1C ZINC000264288696 179258225 /nfs/dbraw/zinc/25/82/25/179258225.db2.gz JPOGJLJSBNHXSE-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C(C)C ZINC000636602415 347548246 /nfs/dbraw/zinc/54/82/46/347548246.db2.gz NRHPTIDMXZUMNO-NWDGAFQWSA-N 1 2 242.363 1.210 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C(C)C ZINC000636602415 347548247 /nfs/dbraw/zinc/54/82/47/347548247.db2.gz NRHPTIDMXZUMNO-NWDGAFQWSA-N 1 2 242.363 1.210 20 0 BDADLO CN(C[C@@H]1CCCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493224867 347646378 /nfs/dbraw/zinc/64/63/78/347646378.db2.gz OFOYSZUDMAKEAG-QRGHLMKCSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@H](C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000591376536 347650425 /nfs/dbraw/zinc/65/04/25/347650425.db2.gz IOVDSLLWKVKOSL-NXEZZACHSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000591363806 347654265 /nfs/dbraw/zinc/65/42/65/347654265.db2.gz SBNFJQKSQWPLMU-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1nccn1C ZINC000198668348 347658236 /nfs/dbraw/zinc/65/82/36/347658236.db2.gz YUTNXBUVXPWIIB-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1nccn1C ZINC000198668348 347658239 /nfs/dbraw/zinc/65/82/39/347658239.db2.gz YUTNXBUVXPWIIB-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO C[C@@H]1c2cccn2CCN1Cc1[nH+]ccn1C ZINC000198668348 347658241 /nfs/dbraw/zinc/65/82/41/347658241.db2.gz YUTNXBUVXPWIIB-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO Cc1ccccc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337463464 179274388 /nfs/dbraw/zinc/27/43/88/179274388.db2.gz LJGQZSFQGAJFSQ-UHFFFAOYSA-N 1 2 244.338 1.802 20 0 BDADLO Cc1ccccc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337463464 179274389 /nfs/dbraw/zinc/27/43/89/179274389.db2.gz LJGQZSFQGAJFSQ-UHFFFAOYSA-N 1 2 244.338 1.802 20 0 BDADLO CC(=O)CCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591898427 347713836 /nfs/dbraw/zinc/71/38/36/347713836.db2.gz LPGBDBARYXBLGA-GFCCVEGCSA-N 1 2 249.314 1.416 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CC=CCC1 ZINC000636653767 347670325 /nfs/dbraw/zinc/67/03/25/347670325.db2.gz VEFDLPLKRMZQRH-NSHDSACASA-N 1 2 248.330 1.907 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592366123 347774802 /nfs/dbraw/zinc/77/48/02/347774802.db2.gz YCGGMFUPLJVHLL-GUBZILKMSA-N 1 2 229.320 1.484 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H](CO)CC1CCC1 ZINC000493348726 347731867 /nfs/dbraw/zinc/73/18/67/347731867.db2.gz FVNQXXRBQSUPQE-ZWNMCFTASA-N 1 2 249.314 1.090 20 0 BDADLO CC[C@@](COC)([NH2+]CC1=CCCC1)C(=O)OC ZINC000592124517 347737949 /nfs/dbraw/zinc/73/79/49/347737949.db2.gz GHQRAMPOIGKLHV-ZDUSSCGKSA-N 1 2 241.331 1.655 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592188956 347761509 /nfs/dbraw/zinc/76/15/09/347761509.db2.gz RVTXFLAVMCMEIN-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592188956 347761511 /nfs/dbraw/zinc/76/15/11/347761511.db2.gz RVTXFLAVMCMEIN-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CCN(CCSC)C(=O)Cc1c[nH+]cn1C ZINC000592917219 347832762 /nfs/dbraw/zinc/83/27/62/347832762.db2.gz GSUCLLIHGCZTPO-UHFFFAOYSA-N 1 2 241.360 1.174 20 0 BDADLO CC[C@@H](NC(=O)C[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000333416741 537992872 /nfs/dbraw/zinc/99/28/72/537992872.db2.gz FFIVCJOOXINMQW-VHSXEESVSA-N 1 2 237.303 1.404 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1CC=CCC1 ZINC000679322104 490113698 /nfs/dbraw/zinc/11/36/98/490113698.db2.gz BDFZAKSFPUNPKY-UHFFFAOYSA-N 1 2 220.320 1.758 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1CC=CCC1 ZINC000679322104 490113704 /nfs/dbraw/zinc/11/37/04/490113704.db2.gz BDFZAKSFPUNPKY-UHFFFAOYSA-N 1 2 220.320 1.758 20 0 BDADLO COC(=O)C[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594039980 347994813 /nfs/dbraw/zinc/99/48/13/347994813.db2.gz DCZCESWSPQGMMX-SNVBAGLBSA-N 1 2 245.319 1.115 20 0 BDADLO CCN(CCSC)c1nc[nH+]c(C)c1OC ZINC000594585420 348077308 /nfs/dbraw/zinc/07/73/08/348077308.db2.gz AKBLYOWYCDHKHJ-UHFFFAOYSA-N 1 2 241.360 1.983 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@H](C(=O)OC)C2CC2)C1 ZINC000594722452 348107478 /nfs/dbraw/zinc/10/74/78/348107478.db2.gz QKRAMJYFKXGVNX-DCAQKATOSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1cccn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000135019422 179353764 /nfs/dbraw/zinc/35/37/64/179353764.db2.gz NYLMTBSQBMBNFT-UHFFFAOYSA-N 1 2 239.225 1.797 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](OC)C1CCC1 ZINC000595299191 348217886 /nfs/dbraw/zinc/21/78/86/348217886.db2.gz WRVUQNMAKVVCOR-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](OC)C1CCC1 ZINC000595299191 348217889 /nfs/dbraw/zinc/21/78/89/348217889.db2.gz WRVUQNMAKVVCOR-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CN(CC(=O)OC(C)(C)C)Cc1cn(C)c[nH+]1 ZINC000595304028 348221813 /nfs/dbraw/zinc/22/18/13/348221813.db2.gz MMDGRFLGUVKNLF-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCC[C@H](C(=O)OCC)N(C)Cc1[nH]cc[nH+]1 ZINC000595399129 348238201 /nfs/dbraw/zinc/23/82/01/348238201.db2.gz GCPPMXYSXJGUSS-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@@H](C(=O)OCC)N(C)Cc1[nH]cc[nH+]1 ZINC000595399128 348238598 /nfs/dbraw/zinc/23/85/98/348238598.db2.gz GCPPMXYSXJGUSS-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@]2(C)C(C)C)nc(N)[nH+]1 ZINC000397165489 362861859 /nfs/dbraw/zinc/86/18/59/362861859.db2.gz ZWXKJJBHUSBVBZ-KCJUWKMLSA-N 1 2 221.308 1.439 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@@]2(C)C(C)C)[nH+]1 ZINC000397165489 362861862 /nfs/dbraw/zinc/86/18/62/362861862.db2.gz ZWXKJJBHUSBVBZ-KCJUWKMLSA-N 1 2 221.308 1.439 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](OC)C1CCC1)C(C)C ZINC000595432553 348249096 /nfs/dbraw/zinc/24/90/96/348249096.db2.gz SADGLHDUVXBJBN-NEPJUHHUSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000093157668 179375701 /nfs/dbraw/zinc/37/57/01/179375701.db2.gz WDRCLCHIGCJXNU-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccnc1C[N@H+]1CCO[C@@H](C)C1 ZINC000093157668 179375703 /nfs/dbraw/zinc/37/57/03/179375703.db2.gz WDRCLCHIGCJXNU-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccnc1C[NH+]1CCN(C2CC2)CC1 ZINC000093168544 179375876 /nfs/dbraw/zinc/37/58/76/179375876.db2.gz MQBRXSOYBDZEEA-UHFFFAOYSA-N 1 2 231.343 1.670 20 0 BDADLO CCCC[C@@H](CC)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595531559 348273934 /nfs/dbraw/zinc/27/39/34/348273934.db2.gz IMDQCGAPBGUCHC-YPMHNXCESA-N 1 2 245.363 1.716 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000595617925 348289744 /nfs/dbraw/zinc/28/97/44/348289744.db2.gz VOJJNWFCFRWMKP-JTQLQIEISA-N 1 2 229.320 1.079 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccccn1 ZINC000595677755 348310100 /nfs/dbraw/zinc/31/01/00/348310100.db2.gz LRMFTOXOQZXMDV-UHFFFAOYSA-N 1 2 232.283 1.219 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccccn1 ZINC000595677755 348310103 /nfs/dbraw/zinc/31/01/03/348310103.db2.gz LRMFTOXOQZXMDV-UHFFFAOYSA-N 1 2 232.283 1.219 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC000082680183 348328263 /nfs/dbraw/zinc/32/82/63/348328263.db2.gz QHVBTPPAJJLHMP-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](O)C(F)(F)F ZINC000082680183 348328268 /nfs/dbraw/zinc/32/82/68/348328268.db2.gz QHVBTPPAJJLHMP-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCOC(C)C ZINC000595768365 348335227 /nfs/dbraw/zinc/33/52/27/348335227.db2.gz BILNYHJVJJPGJB-GFCCVEGCSA-N 1 2 249.326 1.682 20 0 BDADLO CCSCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595770823 348336799 /nfs/dbraw/zinc/33/67/99/348336799.db2.gz VXZZCVWWFOOEFQ-SNVBAGLBSA-N 1 2 237.340 1.620 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595776282 348338628 /nfs/dbraw/zinc/33/86/28/348338628.db2.gz AJHWGNGCOCGRIW-ZJUUUORDSA-N 1 2 241.331 1.221 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000089647299 362917708 /nfs/dbraw/zinc/91/77/08/362917708.db2.gz IXPZCVGBESXPLI-UHFFFAOYSA-N 1 2 235.283 1.040 20 0 BDADLO Cc1cc(NC(=O)CSC(C)C)cc[nH+]1 ZINC000603514607 349986167 /nfs/dbraw/zinc/98/61/67/349986167.db2.gz CMQTWEPSWCBAJF-UHFFFAOYSA-N 1 2 224.329 1.892 20 0 BDADLO COC[C@H](C)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596056311 348434656 /nfs/dbraw/zinc/43/46/56/348434656.db2.gz RORGTWQENYDHSW-VIFPVBQESA-N 1 2 238.287 1.244 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2CC1(C)C2 ZINC000621216288 348455372 /nfs/dbraw/zinc/45/53/72/348455372.db2.gz HDCBSXRPBIIZRJ-UHFFFAOYSA-N 1 2 219.288 1.272 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCF)c1 ZINC000596215994 348468139 /nfs/dbraw/zinc/46/81/39/348468139.db2.gz INGHXNIQFUBLTI-UHFFFAOYSA-N 1 2 212.224 1.179 20 0 BDADLO COC(=O)[C@H](C)N(C)c1[nH+]ccc2[nH]ccc21 ZINC000596218751 348469295 /nfs/dbraw/zinc/46/92/95/348469295.db2.gz HOMLHMXCTQMXRY-QMMMGPOBSA-N 1 2 233.271 1.561 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@H]3C[C@H]32)c1 ZINC000596229381 348471522 /nfs/dbraw/zinc/47/15/22/348471522.db2.gz ADCIVDIYETUGAP-NWDGAFQWSA-N 1 2 246.310 1.786 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCCSCC1)C(=O)OC ZINC000597110974 348658196 /nfs/dbraw/zinc/65/81/96/348658196.db2.gz MSPYNFPQVQVPMI-ZJUUUORDSA-N 1 2 247.360 1.050 20 0 BDADLO Cc1cnc(C)c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000088057893 179582009 /nfs/dbraw/zinc/58/20/09/179582009.db2.gz LHPKYXMYKDZWAA-SNVBAGLBSA-N 1 2 231.303 1.791 20 0 BDADLO CSCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598459185 348976617 /nfs/dbraw/zinc/97/66/17/348976617.db2.gz DUZICRMOVCJQNX-SECBINFHSA-N 1 2 241.360 1.741 20 0 BDADLO C[NH2+]CCCN=c1nc(C(C)(C)C)[nH]s1 ZINC000420143563 192170472 /nfs/dbraw/zinc/17/04/72/192170472.db2.gz YIQMNRBWAPNGRP-UHFFFAOYSA-N 1 2 228.365 1.279 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1C[C@H]1C ZINC000382198878 349180488 /nfs/dbraw/zinc/18/04/88/349180488.db2.gz DLHFXCWRRHPOLP-GMTAPVOTSA-N 1 2 213.321 1.962 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C1CC1 ZINC000599623594 349230717 /nfs/dbraw/zinc/23/07/17/349230717.db2.gz AQQMCIQWWKNJKM-ZROIDTBISA-N 1 2 241.331 1.340 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626613 349231441 /nfs/dbraw/zinc/23/14/41/349231441.db2.gz SNPWWPUMVKBESO-HTFCKZLJSA-N 1 2 243.347 1.730 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](CC(F)F)[C@@H]2CCC[C@H]21 ZINC000599653850 349235258 /nfs/dbraw/zinc/23/52/58/349235258.db2.gz HLSXCTQOLFUZAN-IVZWLZJFSA-N 1 2 247.285 1.915 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](CC(F)F)[C@@H]2CCC[C@H]21 ZINC000599653850 349235261 /nfs/dbraw/zinc/23/52/61/349235261.db2.gz HLSXCTQOLFUZAN-IVZWLZJFSA-N 1 2 247.285 1.915 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cscn1 ZINC000161153782 349394120 /nfs/dbraw/zinc/39/41/20/349394120.db2.gz QRMPGHNDYDXZGD-RKDXNWHRSA-N 1 2 239.344 1.462 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1csnn1 ZINC000603882859 350047609 /nfs/dbraw/zinc/04/76/09/350047609.db2.gz ZGNQWBPYCNKTOG-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cncnc1 ZINC000126514790 490294791 /nfs/dbraw/zinc/29/47/91/490294791.db2.gz GYRCQHNMAURJKV-ZJUUUORDSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cncnc1 ZINC000126514790 490294798 /nfs/dbraw/zinc/29/47/98/490294798.db2.gz GYRCQHNMAURJKV-ZJUUUORDSA-N 1 2 207.277 1.086 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1nccs1 ZINC000302907241 350098284 /nfs/dbraw/zinc/09/82/84/350098284.db2.gz HFXYTLALWGAXJY-IUCAKERBSA-N 1 2 241.360 1.536 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)no1 ZINC000329807249 180034535 /nfs/dbraw/zinc/03/45/35/180034535.db2.gz BIYFIUQEWSAEJI-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)no1 ZINC000329807249 180034536 /nfs/dbraw/zinc/03/45/36/180034536.db2.gz BIYFIUQEWSAEJI-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CC2(O)CCC2)no1 ZINC000332032772 180047596 /nfs/dbraw/zinc/04/75/96/180047596.db2.gz VNYXHEYXPHQHFP-QMMMGPOBSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CC2(O)CCC2)no1 ZINC000332032772 180047597 /nfs/dbraw/zinc/04/75/97/180047597.db2.gz VNYXHEYXPHQHFP-QMMMGPOBSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CCc2cnccn2)no1 ZINC000289303706 180047929 /nfs/dbraw/zinc/04/79/29/180047929.db2.gz DAIDXATVVDXSBK-VIFPVBQESA-N 1 2 247.302 1.404 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CCc2cnccn2)no1 ZINC000289303706 180047932 /nfs/dbraw/zinc/04/79/32/180047932.db2.gz DAIDXATVVDXSBK-VIFPVBQESA-N 1 2 247.302 1.404 20 0 BDADLO Cc1nc(N2CC[C@H](CO)C2)c2c([nH+]1)CCCC2 ZINC000272903876 180067320 /nfs/dbraw/zinc/06/73/20/180067320.db2.gz QEYZDYYLABCYJN-NSHDSACASA-N 1 2 247.342 1.482 20 0 BDADLO Cc1nc(N(C)CC[C@@H](C)O)c2c([nH+]1)CCCC2 ZINC000272941491 180068560 /nfs/dbraw/zinc/06/85/60/180068560.db2.gz WWTXJUJGGKQWHA-SNVBAGLBSA-N 1 2 249.358 1.871 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCCOCC1 ZINC000334258562 538062495 /nfs/dbraw/zinc/06/24/95/538062495.db2.gz PCGXDVQIBBWLBL-UHFFFAOYSA-N 1 2 231.299 1.800 20 0 BDADLO CSC1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000304548688 350162174 /nfs/dbraw/zinc/16/21/74/350162174.db2.gz XBVSREYBVWGZLT-UHFFFAOYSA-N 1 2 239.348 1.094 20 0 BDADLO CSC1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000304548688 350162177 /nfs/dbraw/zinc/16/21/77/350162177.db2.gz XBVSREYBVWGZLT-UHFFFAOYSA-N 1 2 239.348 1.094 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccc(O)cc2)c[nH+]1 ZINC000339285735 180130599 /nfs/dbraw/zinc/13/05/99/180130599.db2.gz WSBCVXIXMHPLFU-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCCS2)c[nH+]1 ZINC000335967424 180131358 /nfs/dbraw/zinc/13/13/58/180131358.db2.gz YRKNBJQEZMXGPR-MRVPVSSYSA-N 1 2 225.317 1.344 20 0 BDADLO Cc1ncc(C[N@H+](C)CC(=O)N2CCC2)s1 ZINC000339005199 180137620 /nfs/dbraw/zinc/13/76/20/180137620.db2.gz IEVFCLJVYBFYGV-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC(=O)N2CCC2)s1 ZINC000339005199 180137623 /nfs/dbraw/zinc/13/76/23/180137623.db2.gz IEVFCLJVYBFYGV-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000341056513 180143955 /nfs/dbraw/zinc/14/39/55/180143955.db2.gz ZCUBNTFGCZDUBU-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000341056513 180143958 /nfs/dbraw/zinc/14/39/58/180143958.db2.gz ZCUBNTFGCZDUBU-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000336563031 180118702 /nfs/dbraw/zinc/11/87/02/180118702.db2.gz RDSXXIORKKFEHL-AOOOYVTPSA-N 1 2 235.331 1.765 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC[C@@H]1CCOC1 ZINC000333017414 180119493 /nfs/dbraw/zinc/11/94/93/180119493.db2.gz HFXPKRJQUWRGMY-SNVBAGLBSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCn3ccnc32)s1 ZINC000345354828 180156913 /nfs/dbraw/zinc/15/69/13/180156913.db2.gz RZMDHYHPFXQXOP-SNVBAGLBSA-N 1 2 234.328 1.883 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cn1 ZINC000352411911 180145707 /nfs/dbraw/zinc/14/57/07/180145707.db2.gz AELJKZLEJMLESE-AXFHLTTASA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cn1 ZINC000352411911 180145710 /nfs/dbraw/zinc/14/57/10/180145710.db2.gz AELJKZLEJMLESE-AXFHLTTASA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccc(C[NH2+][C@@H](CO)c2ccsc2)n1 ZINC000339361209 180190817 /nfs/dbraw/zinc/19/08/17/180190817.db2.gz ZYUHGHQTCOMLIB-LBPRGKRZSA-N 1 2 249.339 1.670 20 0 BDADLO Cc1nc(N2CC[C@@H](n3cccn3)C2)cc[nH+]1 ZINC000292191088 180193814 /nfs/dbraw/zinc/19/38/14/180193814.db2.gz BRLWKJLZYXXBBD-LLVKDONJSA-N 1 2 229.287 1.433 20 0 BDADLO Cc1nc(N2CC[S@](=O)CC[C@@H]2C)cc[nH+]1 ZINC000369351152 180194433 /nfs/dbraw/zinc/19/44/33/180194433.db2.gz ZYKQCPIKGQUXOK-XXFAHNHDSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1nc(NCCOc2ncccc2F)cc[nH+]1 ZINC000269518228 180198044 /nfs/dbraw/zinc/19/80/44/180198044.db2.gz VAIHWKWHNDJSNR-UHFFFAOYSA-N 1 2 248.261 1.810 20 0 BDADLO Cc1nc(NCC(C)(C)CCCO)cc[nH+]1 ZINC000221185258 180199375 /nfs/dbraw/zinc/19/93/75/180199375.db2.gz FBZKWUUWKDBLQR-UHFFFAOYSA-N 1 2 223.320 1.996 20 0 BDADLO Cc1nc(NC[C@@](C)(O)C(F)(F)F)cc[nH+]1 ZINC000270449600 180200051 /nfs/dbraw/zinc/20/00/51/180200051.db2.gz IBGIVKOTZRPABB-MRVPVSSYSA-N 1 2 235.209 1.510 20 0 BDADLO Cc1nc(NC[C@@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000286430985 180200917 /nfs/dbraw/zinc/20/09/17/180200917.db2.gz QQASGSHSTFCLDK-KOLCDFICSA-N 1 2 221.304 1.870 20 0 BDADLO Cc1nc(NC[C@H](C)c2nncn2C)cc[nH+]1 ZINC000189963410 180200957 /nfs/dbraw/zinc/20/09/57/180200957.db2.gz VTBUHFATCWIXJA-QMMMGPOBSA-N 1 2 232.291 1.129 20 0 BDADLO Cc1nc(NC[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000082997486 180201755 /nfs/dbraw/zinc/20/17/55/180201755.db2.gz MNJCJUCPXFCKAE-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H](C)CO[C@H]2CCOC2)cc[nH+]1 ZINC000133751059 180203361 /nfs/dbraw/zinc/20/33/61/180203361.db2.gz WOYVVNFSQWXATL-ONGXEEELSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1nc(N[C@@H](C(C)C)C(C)(C)O)cc[nH+]1 ZINC000276577662 180203381 /nfs/dbraw/zinc/20/33/81/180203381.db2.gz ANPWOEPMRUNESM-NSHDSACASA-N 1 2 223.320 1.992 20 0 BDADLO Cc1nc(N[C@@H](CO)CC(C)C)cc[nH+]1 ZINC000054936119 180204007 /nfs/dbraw/zinc/20/40/07/180204007.db2.gz DEYMDDBMLKFHPW-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1nc(N[C@H](CO)CC(F)F)cc[nH+]1 ZINC000336737557 180204972 /nfs/dbraw/zinc/20/49/72/180204972.db2.gz QGGSMAHISVIJBY-ZETCQYMHSA-N 1 2 217.219 1.213 20 0 BDADLO Cc1nc(N[C@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000266277751 180205369 /nfs/dbraw/zinc/20/53/69/180205369.db2.gz SOACRBJZVBNDNC-MRVPVSSYSA-N 1 2 217.276 1.692 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000361040770 180205825 /nfs/dbraw/zinc/20/58/25/180205825.db2.gz QJFGKMFZMOQMHA-ZJUUUORDSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1nc(N[C@H]2CC[C@@H](CO)C2)cc[nH+]1 ZINC000296287885 180208352 /nfs/dbraw/zinc/20/83/52/180208352.db2.gz LQEXHMVQVVVXEF-ZJUUUORDSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(NCCC2(F)CCC2)cc[nH+]1 ZINC000336725375 180180653 /nfs/dbraw/zinc/18/06/53/180180653.db2.gz GJDOOENHMAAOPA-UHFFFAOYSA-N 1 2 209.268 1.901 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@H](CO)C2)cc[nH+]1 ZINC000340980758 180181777 /nfs/dbraw/zinc/18/17/77/180181777.db2.gz YNEAAZOCLXZNSZ-RYUDHWBXSA-N 1 2 235.331 1.418 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000373591188 180184873 /nfs/dbraw/zinc/18/48/73/180184873.db2.gz DRYNEUQHNNRWTH-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC3(CCC3)C2)n1 ZINC000373591188 180184874 /nfs/dbraw/zinc/18/48/74/180184874.db2.gz DRYNEUQHNNRWTH-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CC[C@@H](C)O1 ZINC000355295927 350234954 /nfs/dbraw/zinc/23/49/54/350234954.db2.gz SLDISSFIBHRKGW-ZYHUDNBSSA-N 1 2 238.335 1.205 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@H]1CC[C@@H](C)O1 ZINC000355295927 350234958 /nfs/dbraw/zinc/23/49/58/350234958.db2.gz SLDISSFIBHRKGW-ZYHUDNBSSA-N 1 2 238.335 1.205 20 0 BDADLO c1cc(CNc2ccc(N3CCCC3)c[nH+]2)n[nH]1 ZINC000427567333 191082134 /nfs/dbraw/zinc/08/21/34/191082134.db2.gz WBYRNNBEOORVAW-UHFFFAOYSA-N 1 2 243.314 1.439 20 0 BDADLO CCNC(=O)C1C[NH+](Cc2cnc(C3CC3)o2)C1 ZINC000628306652 350250779 /nfs/dbraw/zinc/25/07/79/350250779.db2.gz ONXBVENMOWQMPN-UHFFFAOYSA-N 1 2 249.314 1.120 20 0 BDADLO CC[C@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000309275005 350252524 /nfs/dbraw/zinc/25/25/24/350252524.db2.gz LYSGXHRTAPHUFQ-ZETCQYMHSA-N 1 2 222.292 1.030 20 0 BDADLO Cc1[nH+]ccn1Cc1nnc(C(C)C)[nH]1 ZINC000291691914 180268221 /nfs/dbraw/zinc/26/82/21/180268221.db2.gz SNCGJVJCHLFUDV-UHFFFAOYSA-N 1 2 205.265 1.481 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(F)cc1 ZINC000037977558 350297484 /nfs/dbraw/zinc/29/74/84/350297484.db2.gz VFMOGGFONZPYDN-UHFFFAOYSA-N 1 2 247.273 1.831 20 0 BDADLO Cc1nccnc1NCc1[nH+]ccn1C ZINC000214286684 180277758 /nfs/dbraw/zinc/27/77/58/180277758.db2.gz QNIJZSAMNJUDIL-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1(C)CC1 ZINC000224428067 350321339 /nfs/dbraw/zinc/32/13/39/350321339.db2.gz VDZJNOMCIGBIPQ-UHFFFAOYSA-N 1 2 217.276 1.575 20 0 BDADLO CC(C)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365520451 350327811 /nfs/dbraw/zinc/32/78/11/350327811.db2.gz GNTVLEHRYOBHIL-NSHDSACASA-N 1 2 235.331 1.782 20 0 BDADLO CC[C@@H](NC(C)=O)C(=O)Nc1c(C)cc[nH+]c1C ZINC000637243625 350341339 /nfs/dbraw/zinc/34/13/39/350341339.db2.gz VWOYIXVBBHCTMK-LLVKDONJSA-N 1 2 249.314 1.552 20 0 BDADLO C[C@H](O)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580282 350370754 /nfs/dbraw/zinc/37/07/54/350370754.db2.gz HVQQKJADNLIGJC-VIFPVBQESA-N 1 2 248.286 1.227 20 0 BDADLO CCOCCCNc1cc(CC)[nH+]cn1 ZINC000040765063 350394452 /nfs/dbraw/zinc/39/44/52/350394452.db2.gz XCCJWEQSOVSBBC-UHFFFAOYSA-N 1 2 209.293 1.878 20 0 BDADLO Cc1ncsc1CNc1ccc(CO)c[nH+]1 ZINC000291523915 180323330 /nfs/dbraw/zinc/32/33/30/180323330.db2.gz JKLRPWAWUCCPMB-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000336279848 180337541 /nfs/dbraw/zinc/33/75/41/180337541.db2.gz FOLHYHDFNMDZCL-NSHDSACASA-N 1 2 241.310 1.207 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000336279848 180337542 /nfs/dbraw/zinc/33/75/42/180337542.db2.gz FOLHYHDFNMDZCL-NSHDSACASA-N 1 2 241.310 1.207 20 0 BDADLO Cc1nn(C)c(C)c1CN(C)Cc1[nH+]ccn1C ZINC000299658610 180338074 /nfs/dbraw/zinc/33/80/74/180338074.db2.gz ZUDYRTGGEBVXOH-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO CN(C)c1ccc(CNC(=O)N(C)C2CC2)c[nH+]1 ZINC000265149106 350432128 /nfs/dbraw/zinc/43/21/28/350432128.db2.gz PKCUFTFWRMBWCO-UHFFFAOYSA-N 1 2 248.330 1.451 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC(C(F)F)C2)o1 ZINC000628307102 350442638 /nfs/dbraw/zinc/44/26/38/350442638.db2.gz NQBSQSVYDNFELB-UHFFFAOYSA-N 1 2 216.231 1.988 20 0 BDADLO CC[C@@H](C)OCC(=O)Nc1ccc(N)[nH+]c1 ZINC000422787948 192469181 /nfs/dbraw/zinc/46/91/81/192469181.db2.gz MOBFPMGRIMUAJB-MRVPVSSYSA-N 1 2 223.276 1.248 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC=C(F)C1 ZINC000335321553 538095438 /nfs/dbraw/zinc/09/54/38/538095438.db2.gz SZXXMAPZYWPHBI-UHFFFAOYSA-N 1 2 223.251 1.428 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC=C(F)C1 ZINC000335321553 538095440 /nfs/dbraw/zinc/09/54/40/538095440.db2.gz SZXXMAPZYWPHBI-UHFFFAOYSA-N 1 2 223.251 1.428 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2ccncc2)n1C ZINC000035696205 180413699 /nfs/dbraw/zinc/41/36/99/180413699.db2.gz BYUUFBNWIAGQNV-SECBINFHSA-N 1 2 231.303 1.369 20 0 BDADLO CC(C)CNC(=O)CNc1cccc[nH+]1 ZINC000064550128 350577817 /nfs/dbraw/zinc/57/78/17/350577817.db2.gz SGKBFXRPBQIZBC-UHFFFAOYSA-N 1 2 207.277 1.266 20 0 BDADLO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C(=O)OC ZINC000336647133 350561743 /nfs/dbraw/zinc/56/17/43/350561743.db2.gz FHCJGFZRNIAHMG-PWSUYJOCSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cc(N2CCO[C@H](C(F)(F)F)C2)nc[nH+]1 ZINC000606894434 350620523 /nfs/dbraw/zinc/62/05/23/350620523.db2.gz CTZXKKKDJKEANN-QMMMGPOBSA-N 1 2 247.220 1.553 20 0 BDADLO Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc[nH+]1 ZINC000606894426 350620867 /nfs/dbraw/zinc/62/08/67/350620867.db2.gz CTZXKKKDJKEANN-MRVPVSSYSA-N 1 2 247.220 1.553 20 0 BDADLO O=C(C[C@@H]1CCOC1)Nc1ccc2[nH+]ccn2c1 ZINC000606780920 350608348 /nfs/dbraw/zinc/60/83/48/350608348.db2.gz LIJKSLHLCPGFNF-JTQLQIEISA-N 1 2 245.282 1.699 20 0 BDADLO CC(C)CCc1noc(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000337974004 350659762 /nfs/dbraw/zinc/65/97/62/350659762.db2.gz CLUBUEYRULVRNC-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)CCc1noc(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000337974004 350659766 /nfs/dbraw/zinc/65/97/66/350659766.db2.gz CLUBUEYRULVRNC-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ncnn1C ZINC000177202675 365986428 /nfs/dbraw/zinc/98/64/28/365986428.db2.gz VFDAHDUBLRBWEC-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO Cc1cnn(C)c1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000617277883 350664166 /nfs/dbraw/zinc/66/41/66/350664166.db2.gz UNDCBRRINJAYOA-UHFFFAOYSA-N 1 2 236.319 1.009 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ncnn1C ZINC000177202675 365986429 /nfs/dbraw/zinc/98/64/29/365986429.db2.gz VFDAHDUBLRBWEC-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153160495 362975949 /nfs/dbraw/zinc/97/59/49/362975949.db2.gz YYHDWTDVZUEGFV-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ncnn1C ZINC000177294519 365992096 /nfs/dbraw/zinc/99/20/96/365992096.db2.gz WNWMVVJZSUTPKP-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ncnn1C ZINC000177294519 365992100 /nfs/dbraw/zinc/99/21/00/365992100.db2.gz WNWMVVJZSUTPKP-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccncc1F ZINC000336219951 350747044 /nfs/dbraw/zinc/74/70/44/350747044.db2.gz SFKZBAXGAAEMFN-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccncc1F ZINC000336219951 350747049 /nfs/dbraw/zinc/74/70/49/350747049.db2.gz SFKZBAXGAAEMFN-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC000112983374 350754482 /nfs/dbraw/zinc/75/44/82/350754482.db2.gz KMCAVFFYYRZHCN-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC000112983374 350754485 /nfs/dbraw/zinc/75/44/85/350754485.db2.gz KMCAVFFYYRZHCN-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO CC(C)(F)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000637592531 350757745 /nfs/dbraw/zinc/75/77/45/350757745.db2.gz NIJPISPJGLNIMT-UHFFFAOYSA-N 1 2 240.282 1.156 20 0 BDADLO CC[N@H+](Cc1csc(COC)n1)[C@@H](C)CO ZINC000339631369 350770623 /nfs/dbraw/zinc/77/06/23/350770623.db2.gz WBNSREPPBQXMGV-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO CC[N@@H+](Cc1csc(COC)n1)[C@@H](C)CO ZINC000339631369 350770624 /nfs/dbraw/zinc/77/06/24/350770624.db2.gz WBNSREPPBQXMGV-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000628309242 350785318 /nfs/dbraw/zinc/78/53/18/350785318.db2.gz KICCOGNDBLRQHJ-MNOVXSKESA-N 1 2 221.304 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000628309242 350785321 /nfs/dbraw/zinc/78/53/21/350785321.db2.gz KICCOGNDBLRQHJ-MNOVXSKESA-N 1 2 221.304 1.329 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](F)C1 ZINC000616611259 350810673 /nfs/dbraw/zinc/81/06/73/350810673.db2.gz BVFIFWDCEZCJCO-SECBINFHSA-N 1 2 232.299 1.555 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@H+]1CC[C@@H](F)C1 ZINC000616611259 350810675 /nfs/dbraw/zinc/81/06/75/350810675.db2.gz BVFIFWDCEZCJCO-SECBINFHSA-N 1 2 232.299 1.555 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc(-c2ccccc2)no1 ZINC000051826915 350850256 /nfs/dbraw/zinc/85/02/56/350850256.db2.gz NHWGJNJBXMJUBV-UHFFFAOYSA-N 1 2 245.282 1.259 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc(-c2ccccc2)no1 ZINC000051826915 350850259 /nfs/dbraw/zinc/85/02/59/350850259.db2.gz NHWGJNJBXMJUBV-UHFFFAOYSA-N 1 2 245.282 1.259 20 0 BDADLO CCN(CCOC)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607143776 350944220 /nfs/dbraw/zinc/94/42/20/350944220.db2.gz GPNCWLPLNUIKIE-UHFFFAOYSA-N 1 2 247.302 1.135 20 0 BDADLO C[C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398323114 351034327 /nfs/dbraw/zinc/03/43/27/351034327.db2.gz NKLKDUGDJDSIQN-UWVGGRQHSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@H]1CCC[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398323114 351034329 /nfs/dbraw/zinc/03/43/29/351034329.db2.gz NKLKDUGDJDSIQN-UWVGGRQHSA-N 1 2 208.309 1.721 20 0 BDADLO COC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000616621369 351036240 /nfs/dbraw/zinc/03/62/40/351036240.db2.gz PZGMIKHIXSTFRB-UHFFFAOYSA-N 1 2 209.249 1.286 20 0 BDADLO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC000623578066 363009889 /nfs/dbraw/zinc/00/98/89/363009889.db2.gz TWWZWSSXVXAHAH-PWSUYJOCSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC000623578066 363009894 /nfs/dbraw/zinc/00/98/94/363009894.db2.gz TWWZWSSXVXAHAH-PWSUYJOCSA-N 1 2 220.320 1.887 20 0 BDADLO C[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC000398391976 351130567 /nfs/dbraw/zinc/13/05/67/351130567.db2.gz KMHNZPKGODYIGQ-UWVGGRQHSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC000398391976 351130569 /nfs/dbraw/zinc/13/05/69/351130569.db2.gz KMHNZPKGODYIGQ-UWVGGRQHSA-N 1 2 208.309 1.721 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(CC)s1 ZINC000680047008 487527462 /nfs/dbraw/zinc/52/74/62/487527462.db2.gz ZKXBAIJDNAPBTL-UHFFFAOYSA-N 1 2 229.349 1.305 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(CC)s1 ZINC000680047008 487527463 /nfs/dbraw/zinc/52/74/63/487527463.db2.gz ZKXBAIJDNAPBTL-UHFFFAOYSA-N 1 2 229.349 1.305 20 0 BDADLO CC[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000268356717 351334604 /nfs/dbraw/zinc/33/46/04/351334604.db2.gz JPNGRPXUSXPGQJ-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO CCc1nc(CC)n(Cc2c[nH+]cn2C)n1 ZINC000267773944 351321543 /nfs/dbraw/zinc/32/15/43/351321543.db2.gz LMFKDUDQPUQFRN-UHFFFAOYSA-N 1 2 219.292 1.185 20 0 BDADLO OCC1(Nc2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000631178624 351380887 /nfs/dbraw/zinc/38/08/87/351380887.db2.gz JDHIIKKOKIJACK-UHFFFAOYSA-N 1 2 244.298 1.772 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CCCOCC1 ZINC000335776254 538100210 /nfs/dbraw/zinc/10/02/10/538100210.db2.gz XQTXDRBSMCQDJF-UHFFFAOYSA-N 1 2 229.711 1.296 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CCCOCC1 ZINC000335776254 538100215 /nfs/dbraw/zinc/10/02/15/538100215.db2.gz XQTXDRBSMCQDJF-UHFFFAOYSA-N 1 2 229.711 1.296 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(C)COC1 ZINC000272882812 351500257 /nfs/dbraw/zinc/50/02/57/351500257.db2.gz HHBWRVBZSGOSEO-UHFFFAOYSA-N 1 2 220.272 1.619 20 0 BDADLO COc1cccc(C[NH2+]Cc2ncc[nH]2)c1F ZINC000623599492 363037751 /nfs/dbraw/zinc/03/77/51/363037751.db2.gz JPNVPSSCCLAQOU-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261539556 535163915 /nfs/dbraw/zinc/16/39/15/535163915.db2.gz CTJUJAWYMBDDRF-HTQZYQBOSA-N 1 2 220.263 1.144 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000577701886 366038248 /nfs/dbraw/zinc/03/82/48/366038248.db2.gz GJLYENAXWXWWQU-WDEREUQCSA-N 1 2 235.287 1.111 20 0 BDADLO CC1(C)C[N@H+](Cc2cocn2)CC[C@H]1O ZINC000277296703 351697730 /nfs/dbraw/zinc/69/77/30/351697730.db2.gz AOFWVBATPUAHIR-SNVBAGLBSA-N 1 2 210.277 1.267 20 0 BDADLO CC1(C)C[N@@H+](Cc2cocn2)CC[C@H]1O ZINC000277296703 351697731 /nfs/dbraw/zinc/69/77/31/351697731.db2.gz AOFWVBATPUAHIR-SNVBAGLBSA-N 1 2 210.277 1.267 20 0 BDADLO CCO[C@H](C(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000637827937 351670427 /nfs/dbraw/zinc/67/04/27/351670427.db2.gz BXDCVUQIRSKCNY-NSHDSACASA-N 1 2 237.303 1.494 20 0 BDADLO CC(C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000277627895 351718085 /nfs/dbraw/zinc/71/80/85/351718085.db2.gz JBYUVRXWFXKIJK-SNAWJCMRSA-N 1 2 207.277 1.537 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000637909709 351780048 /nfs/dbraw/zinc/78/00/48/351780048.db2.gz GWHNLYCUFXZIJM-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000637909709 351780052 /nfs/dbraw/zinc/78/00/52/351780052.db2.gz GWHNLYCUFXZIJM-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC1(NC(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000162655755 323635223 /nfs/dbraw/zinc/63/52/23/323635223.db2.gz DWHWWZCGUNYOGS-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC=C(C)C2)[nH]1 ZINC000280686338 351856471 /nfs/dbraw/zinc/85/64/71/351856471.db2.gz AQYNJQKMLXBZNT-UHFFFAOYSA-N 1 2 206.293 1.519 20 0 BDADLO CCc1nnc(C[N@H+]2CCC=C(C)C2)[nH]1 ZINC000280686338 351856472 /nfs/dbraw/zinc/85/64/72/351856472.db2.gz AQYNJQKMLXBZNT-UHFFFAOYSA-N 1 2 206.293 1.519 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000618870605 351936275 /nfs/dbraw/zinc/93/62/75/351936275.db2.gz KESGNRGUZQLKDE-AAEUAGOBSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000638088842 351967211 /nfs/dbraw/zinc/96/72/11/351967211.db2.gz QFJSXLGVDHSQOH-XQQFMLRXSA-N 1 2 247.342 1.734 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000638088842 351967212 /nfs/dbraw/zinc/96/72/12/351967212.db2.gz QFJSXLGVDHSQOH-XQQFMLRXSA-N 1 2 247.342 1.734 20 0 BDADLO CC(C)[C@H](NC(=O)N(C)C)c1[nH]cc[nH+]1 ZINC000289168805 352173665 /nfs/dbraw/zinc/17/36/65/352173665.db2.gz IUYRONMTMZWLRN-QMMMGPOBSA-N 1 2 210.281 1.378 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)C[C@@H](C)OC ZINC000291144907 352262763 /nfs/dbraw/zinc/26/27/63/352262763.db2.gz YQZJFXNYSBKCRA-SECBINFHSA-N 1 2 211.309 1.575 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)C[C@@H](C)OC ZINC000291144907 352262767 /nfs/dbraw/zinc/26/27/67/352262767.db2.gz YQZJFXNYSBKCRA-SECBINFHSA-N 1 2 211.309 1.575 20 0 BDADLO Cc1c[nH]nc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414915676 352266557 /nfs/dbraw/zinc/26/65/57/352266557.db2.gz ONBSHYISPCEHBM-LBPRGKRZSA-N 1 2 222.336 1.197 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2ccns2)CCO1 ZINC000630072934 363155765 /nfs/dbraw/zinc/15/57/65/363155765.db2.gz NOBFGILDGMRUQZ-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2ccns2)CCO1 ZINC000630072934 363155770 /nfs/dbraw/zinc/15/57/70/363155770.db2.gz NOBFGILDGMRUQZ-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)on1 ZINC000630072925 363156346 /nfs/dbraw/zinc/15/63/46/363156346.db2.gz NCJVLLBQQHCVFK-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)on1 ZINC000630072925 363156349 /nfs/dbraw/zinc/15/63/49/363156349.db2.gz NCJVLLBQQHCVFK-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO CC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C(N)=O ZINC000292337613 352315874 /nfs/dbraw/zinc/31/58/74/352315874.db2.gz NLUKSKKFLWUZKS-SNVBAGLBSA-N 1 2 248.330 1.340 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411718439 191205942 /nfs/dbraw/zinc/20/59/42/191205942.db2.gz CFSWXMPKSYTZSC-JGVFFNPUSA-N 1 2 212.297 1.141 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411718439 191205944 /nfs/dbraw/zinc/20/59/44/191205944.db2.gz CFSWXMPKSYTZSC-JGVFFNPUSA-N 1 2 212.297 1.141 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@@H]1CC(F)F ZINC000286563825 180742734 /nfs/dbraw/zinc/74/27/34/180742734.db2.gz UARHJQBIBGWEOV-VIFPVBQESA-N 1 2 245.273 1.276 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493380740 229663146 /nfs/dbraw/zinc/66/31/46/229663146.db2.gz GEAJAMXFLOUFBT-NRFYAWERSA-N 1 2 249.314 1.185 20 0 BDADLO CCc1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000340585213 352489072 /nfs/dbraw/zinc/48/90/72/352489072.db2.gz SBFBIZYXZRDIGO-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1nc(C)c(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000340585213 352489076 /nfs/dbraw/zinc/48/90/76/352489076.db2.gz SBFBIZYXZRDIGO-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccno1 ZINC000299625985 352542673 /nfs/dbraw/zinc/54/26/73/352542673.db2.gz RPHMWLMUTVNSCI-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccno1 ZINC000299625985 352542676 /nfs/dbraw/zinc/54/26/76/352542676.db2.gz RPHMWLMUTVNSCI-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCn1cc[nH+]c1 ZINC000300002333 352552121 /nfs/dbraw/zinc/55/21/21/352552121.db2.gz RHTBWZCWNHEQJG-TUAOUCFPSA-N 1 2 249.314 1.068 20 0 BDADLO O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCn1cc[nH+]c1 ZINC000300002333 352552123 /nfs/dbraw/zinc/55/21/23/352552123.db2.gz RHTBWZCWNHEQJG-TUAOUCFPSA-N 1 2 249.314 1.068 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000300018386 352552451 /nfs/dbraw/zinc/55/24/51/352552451.db2.gz GIBUTHVESZKGAT-IJLUTSLNSA-N 1 2 241.331 1.079 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccn1 ZINC000608008734 352599423 /nfs/dbraw/zinc/59/94/23/352599423.db2.gz LPUBPXKZGGAAKD-SNVBAGLBSA-N 1 2 230.271 1.156 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000577851262 366084209 /nfs/dbraw/zinc/08/42/09/366084209.db2.gz LRALTVRLYMQHNM-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000577851262 366084213 /nfs/dbraw/zinc/08/42/13/366084213.db2.gz LRALTVRLYMQHNM-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1nc(NC[C@@H](CO)Cc2ccco2)cc[nH+]1 ZINC000608079194 352708376 /nfs/dbraw/zinc/70/83/76/352708376.db2.gz MJVROGPZGPDSLA-NSHDSACASA-N 1 2 247.298 1.063 20 0 BDADLO C[C@]1(CCNC(=O)Cn2cc[nH+]c2)CC1(F)F ZINC000618629158 352714749 /nfs/dbraw/zinc/71/47/49/352714749.db2.gz UTMICPHJOSWNED-JTQLQIEISA-N 1 2 243.257 1.435 20 0 BDADLO CO[C@@H](CNc1ccc[nH+]c1C)[C@@H]1CCOC1 ZINC000638786140 352741761 /nfs/dbraw/zinc/74/17/61/352741761.db2.gz KCCAMMBSLDEYBF-YPMHNXCESA-N 1 2 236.315 1.853 20 0 BDADLO Cn1c[nH+]cc1CNc1cc(C2CC2)n(C)n1 ZINC000289865229 180789334 /nfs/dbraw/zinc/78/93/34/180789334.db2.gz ORZYQBPARXVLFX-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO Cc1nccc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000608082953 352750076 /nfs/dbraw/zinc/75/00/76/352750076.db2.gz AFGWMYMCYDZMHO-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1cc[nH+]cc1NCc1ncnn1C ZINC000638792763 352755056 /nfs/dbraw/zinc/75/50/56/352755056.db2.gz QYKXCVIKKWAZHB-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CO[C@H]1CCC[C@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000334180031 352767028 /nfs/dbraw/zinc/76/70/28/352767028.db2.gz DPXDYASEJOOBPD-RYUDHWBXSA-N 1 2 248.326 1.956 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000334212524 352810341 /nfs/dbraw/zinc/81/03/41/352810341.db2.gz RPIUPYKYRLFIKK-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000334212524 352810346 /nfs/dbraw/zinc/81/03/46/352810346.db2.gz RPIUPYKYRLFIKK-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)nc1 ZINC000334212751 352810940 /nfs/dbraw/zinc/81/09/40/352810940.db2.gz IGPKREBBOKXTGZ-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)nc1 ZINC000334212751 352810944 /nfs/dbraw/zinc/81/09/44/352810944.db2.gz IGPKREBBOKXTGZ-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccn(C)n2)C[C@H](C)O1 ZINC000334217064 352817190 /nfs/dbraw/zinc/81/71/90/352817190.db2.gz WGMAPDCJHFWVTN-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H](C)O1 ZINC000334217064 352817191 /nfs/dbraw/zinc/81/71/91/352817191.db2.gz WGMAPDCJHFWVTN-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO Cc1c[nH+]c(CN2CCOCC23CC3)n1C ZINC000342847620 352873469 /nfs/dbraw/zinc/87/34/69/352873469.db2.gz APXKBSSCRLJRAN-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334270407 352907194 /nfs/dbraw/zinc/90/71/94/352907194.db2.gz SFJIXSNVZCWXTM-LBPRGKRZSA-N 1 2 249.314 1.295 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334270407 352907196 /nfs/dbraw/zinc/90/71/96/352907196.db2.gz SFJIXSNVZCWXTM-LBPRGKRZSA-N 1 2 249.314 1.295 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000334278391 352912544 /nfs/dbraw/zinc/91/25/44/352912544.db2.gz UHXRMLVPNUFGED-QWHCGFSZSA-N 1 2 236.315 1.990 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000334278391 352912548 /nfs/dbraw/zinc/91/25/48/352912548.db2.gz UHXRMLVPNUFGED-QWHCGFSZSA-N 1 2 236.315 1.990 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ccn1 ZINC000342865239 352881537 /nfs/dbraw/zinc/88/15/37/352881537.db2.gz SYWBCEMLUOWEEA-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccn1 ZINC000342865239 352881539 /nfs/dbraw/zinc/88/15/39/352881539.db2.gz SYWBCEMLUOWEEA-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334264287 352898884 /nfs/dbraw/zinc/89/88/84/352898884.db2.gz KVQRPWGNWPLMBL-IUCAKERBSA-N 1 2 221.304 1.744 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334264287 352898887 /nfs/dbraw/zinc/89/88/87/352898887.db2.gz KVQRPWGNWPLMBL-IUCAKERBSA-N 1 2 221.304 1.744 20 0 BDADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ncc(C)o1 ZINC000638812317 352990789 /nfs/dbraw/zinc/99/07/89/352990789.db2.gz WKJHWBSOGJBUNK-JTQLQIEISA-N 1 2 239.319 1.233 20 0 BDADLO CO[C@]1(C[N@@H+]2CCC(F)(F)C2)CCOC1 ZINC000638842725 353019171 /nfs/dbraw/zinc/01/91/71/353019171.db2.gz ZLOAQCCEEORZII-VIFPVBQESA-N 1 2 221.247 1.133 20 0 BDADLO CO[C@]1(C[N@H+]2CCC(F)(F)C2)CCOC1 ZINC000638842725 353019172 /nfs/dbraw/zinc/01/91/72/353019172.db2.gz ZLOAQCCEEORZII-VIFPVBQESA-N 1 2 221.247 1.133 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CO)CC(F)(F)F)o1 ZINC000638826484 353002098 /nfs/dbraw/zinc/00/20/98/353002098.db2.gz DANNHWRWIQIVLV-SSDOTTSWSA-N 1 2 238.209 1.386 20 0 BDADLO CC(C)[C@@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000608088122 353068100 /nfs/dbraw/zinc/06/81/00/353068100.db2.gz YDWSBUBAVYQDJU-JTQLQIEISA-N 1 2 249.318 1.182 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccc(C(N)=O)c2)o1 ZINC000231787929 538107366 /nfs/dbraw/zinc/10/73/66/538107366.db2.gz CQQPNGYDHHRQND-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO C/C=C/C[C@@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000184581892 187999442 /nfs/dbraw/zinc/99/94/42/187999442.db2.gz ULQMFHPHETZLNK-UFFNRZRYSA-N 1 2 249.314 1.839 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000189798709 188002079 /nfs/dbraw/zinc/00/20/79/188002079.db2.gz OSLJONGSYCBUOP-ZDUSSCGKSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000189798709 188002081 /nfs/dbraw/zinc/00/20/81/188002081.db2.gz OSLJONGSYCBUOP-ZDUSSCGKSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)COCC[N@H+](C)Cc1cc[nH]n1 ZINC000336699436 188010953 /nfs/dbraw/zinc/01/09/53/188010953.db2.gz UYJPEBQQLLAWAK-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO CC(C)COCC[N@@H+](C)Cc1cc[nH]n1 ZINC000336699436 188010955 /nfs/dbraw/zinc/01/09/55/188010955.db2.gz UYJPEBQQLLAWAK-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000339439903 188019083 /nfs/dbraw/zinc/01/90/83/188019083.db2.gz VJRIENSXEYBURF-GWCFXTLKSA-N 1 2 235.331 1.815 20 0 BDADLO Cc1nc(N2CCCSCC2)cc[nH+]1 ZINC000266380734 188022337 /nfs/dbraw/zinc/02/23/37/188022337.db2.gz MYZVKAYSYFKOSS-UHFFFAOYSA-N 1 2 209.318 1.728 20 0 BDADLO Cc1nc(N(C)Cc2cnn(C)c2)cc[nH+]1 ZINC000266083082 188022896 /nfs/dbraw/zinc/02/28/96/188022896.db2.gz BRDRCHFNFXRXMH-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO Cc1ccc(Cc2noc(C[NH+](C)C)n2)cn1 ZINC000277747830 188029674 /nfs/dbraw/zinc/02/96/74/188029674.db2.gz CDFNJLKCZVGKEY-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO CC(C)C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340906257 188044244 /nfs/dbraw/zinc/04/42/44/188044244.db2.gz MBXIKEGSJNZABQ-SECBINFHSA-N 1 2 224.308 1.378 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000278881553 188030986 /nfs/dbraw/zinc/03/09/86/188030986.db2.gz WMNGSZZYHFYBGK-LLVKDONJSA-N 1 2 237.347 1.904 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1c(Cl)cnn1C ZINC000289979017 188035714 /nfs/dbraw/zinc/03/57/14/188035714.db2.gz ZSLFGZCZAHYSPZ-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1c(Cl)cnn1C ZINC000289979017 188035716 /nfs/dbraw/zinc/03/57/16/188035716.db2.gz ZSLFGZCZAHYSPZ-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CC(C)=CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291584973 188036929 /nfs/dbraw/zinc/03/69/29/188036929.db2.gz PMQXWISCGTYPPR-UHFFFAOYSA-N 1 2 234.303 1.375 20 0 BDADLO CC(C)[N@H+](Cc1ccnn1C)C1COC1 ZINC000294659167 188038427 /nfs/dbraw/zinc/03/84/27/188038427.db2.gz AHJRMKLMRAGSIC-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)[N@@H+](Cc1ccnn1C)C1COC1 ZINC000294659167 188038429 /nfs/dbraw/zinc/03/84/29/188038429.db2.gz AHJRMKLMRAGSIC-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO Cn1cnc2cc(C[NH2+]CC(F)F)ccc21 ZINC000298109810 188041068 /nfs/dbraw/zinc/04/10/68/188041068.db2.gz OFBBTMMWYLBSNC-UHFFFAOYSA-N 1 2 225.242 1.928 20 0 BDADLO CC(=O)CC(C)(C)CC(=O)NC1=[NH+]CCS1 ZINC000191676698 188003743 /nfs/dbraw/zinc/00/37/43/188003743.db2.gz QIPOQAUOUMDWOY-UHFFFAOYSA-N 1 2 242.344 1.601 20 0 BDADLO CC(C)[N@H+](CCO)Cc1noc(C(C)(C)C)n1 ZINC000050103802 188046361 /nfs/dbraw/zinc/04/63/61/188046361.db2.gz HJGKJIHPOKWFRB-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1noc(C(C)(C)C)n1 ZINC000050103802 188046363 /nfs/dbraw/zinc/04/63/63/188046363.db2.gz HJGKJIHPOKWFRB-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000331471009 188053029 /nfs/dbraw/zinc/05/30/29/188053029.db2.gz JWXVYFUGOAALAK-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000331471009 188053031 /nfs/dbraw/zinc/05/30/31/188053031.db2.gz JWXVYFUGOAALAK-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO CC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000336369368 188055655 /nfs/dbraw/zinc/05/56/55/188055655.db2.gz NCZDGQSNRXQHNT-LBPRGKRZSA-N 1 2 229.283 1.977 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000352604974 188057202 /nfs/dbraw/zinc/05/72/02/188057202.db2.gz FHVAXFPRPYMTLJ-SNVBAGLBSA-N 1 2 236.319 1.228 20 0 BDADLO CC(C)(C)OC1CC([NH+]2CCS(=O)CC2)C1 ZINC000336558938 188058594 /nfs/dbraw/zinc/05/85/94/188058594.db2.gz CVWIMEKYFDJIAP-UHFFFAOYSA-N 1 2 245.388 1.397 20 0 BDADLO Cn1ncnc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179571830 180856463 /nfs/dbraw/zinc/85/64/63/180856463.db2.gz SHHCGYVNUDSDCT-UHFFFAOYSA-N 1 2 248.305 1.979 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@H]2CCO)no1 ZINC000050105164 353170832 /nfs/dbraw/zinc/17/08/32/353170832.db2.gz RKODVIRQKRCMKE-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@H]2CCO)no1 ZINC000050105164 353170835 /nfs/dbraw/zinc/17/08/35/353170835.db2.gz RKODVIRQKRCMKE-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000073950854 353177082 /nfs/dbraw/zinc/17/70/82/353177082.db2.gz WIELIGUKKMVCPO-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO CCC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000381575454 538111191 /nfs/dbraw/zinc/11/11/91/538111191.db2.gz ZQASCZBMLBPXBG-MRVPVSSYSA-N 1 2 223.324 1.268 20 0 BDADLO CCC[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000381575454 538111192 /nfs/dbraw/zinc/11/11/92/538111192.db2.gz ZQASCZBMLBPXBG-MRVPVSSYSA-N 1 2 223.324 1.268 20 0 BDADLO FC(F)Cn1ncnc1C[NH+]1CCCCC1 ZINC000362968490 180905281 /nfs/dbraw/zinc/90/52/81/180905281.db2.gz ZWQCUZVIVOZIJG-UHFFFAOYSA-N 1 2 230.262 1.529 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000134577386 538113421 /nfs/dbraw/zinc/11/34/21/538113421.db2.gz LIJBVLPQDZVPMS-GZMMTYOYSA-N 1 2 241.360 1.237 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000134559771 538113435 /nfs/dbraw/zinc/11/34/35/538113435.db2.gz VMOFFBHETXKXPG-SCZZXKLOSA-N 1 2 209.293 1.548 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccnc2)[nH+]1 ZINC000577857094 366087134 /nfs/dbraw/zinc/08/71/34/366087134.db2.gz PASVABPDQSLSNH-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000343270301 353288634 /nfs/dbraw/zinc/28/86/34/353288634.db2.gz LSESNWUQDFUTGZ-ZJUUUORDSA-N 1 2 207.277 1.135 20 0 BDADLO CCOC[C@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225834153 538114255 /nfs/dbraw/zinc/11/42/55/538114255.db2.gz HXIUAHIXOZVSQE-VIFPVBQESA-N 1 2 210.277 1.927 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CO[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000253364670 353329397 /nfs/dbraw/zinc/32/93/97/353329397.db2.gz MLUCAFLYKUJXIP-BBBLOLIVSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1noc(C[N@H+]2CCS[C@H](C)[C@@H]2C)n1 ZINC000118412795 353355186 /nfs/dbraw/zinc/35/51/86/353355186.db2.gz WBEJALINGPXJMO-JGVFFNPUSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1noc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)n1 ZINC000118412795 353355188 /nfs/dbraw/zinc/35/51/88/353355188.db2.gz WBEJALINGPXJMO-JGVFFNPUSA-N 1 2 227.333 1.704 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC[C@H]1CCO1 ZINC000639084510 353422115 /nfs/dbraw/zinc/42/21/15/353422115.db2.gz OPDASTZXNFMPER-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC[C@H]1CCO1 ZINC000639084510 353422117 /nfs/dbraw/zinc/42/21/17/353422117.db2.gz OPDASTZXNFMPER-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1nccs1 ZINC000309072350 538117598 /nfs/dbraw/zinc/11/75/98/538117598.db2.gz FQGFLVRVTDUFCL-UHFFFAOYSA-N 1 2 248.373 1.056 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000191772236 353509518 /nfs/dbraw/zinc/50/95/18/353509518.db2.gz HOFIDYCXOGJZBG-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000191772236 353509521 /nfs/dbraw/zinc/50/95/21/353509521.db2.gz HOFIDYCXOGJZBG-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C)c2)oc1C ZINC000230640071 353519845 /nfs/dbraw/zinc/51/98/45/353519845.db2.gz ZJHUEINSQYOWAO-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO CCC[C@@H](C[N@@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639098146 353497010 /nfs/dbraw/zinc/49/70/10/353497010.db2.gz HHIAHHIASHMFMZ-MNOVXSKESA-N 1 2 238.335 1.470 20 0 BDADLO CCC[C@@H](C[N@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639098146 353497012 /nfs/dbraw/zinc/49/70/12/353497012.db2.gz HHIAHHIASHMFMZ-MNOVXSKESA-N 1 2 238.335 1.470 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000193440164 353592687 /nfs/dbraw/zinc/59/26/87/353592687.db2.gz LSHQZKBKXLLTFF-JTQLQIEISA-N 1 2 240.351 1.137 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000193440164 353592691 /nfs/dbraw/zinc/59/26/91/353592691.db2.gz LSHQZKBKXLLTFF-JTQLQIEISA-N 1 2 240.351 1.137 20 0 BDADLO Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)nc[nH+]1 ZINC000230908508 353552275 /nfs/dbraw/zinc/55/22/75/353552275.db2.gz XDMLQSIGXVYEGT-GHMZBOCLSA-N 1 2 221.304 1.748 20 0 BDADLO CO[C@@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000577886315 366089801 /nfs/dbraw/zinc/08/98/01/366089801.db2.gz HCTLHSYEDFYSOC-LLVKDONJSA-N 1 2 221.304 1.709 20 0 BDADLO C[NH+](C)C1(CN=c2nc(C(C)(C)C)o[nH]2)CC1 ZINC000642310877 363240639 /nfs/dbraw/zinc/24/06/39/363240639.db2.gz LZMKCBCBLLNXQK-UHFFFAOYSA-N 1 2 238.335 1.295 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343322964 353690292 /nfs/dbraw/zinc/69/02/92/353690292.db2.gz NZYZJTRSMSNGSZ-MXWKQRLJSA-N 1 2 233.315 1.218 20 0 BDADLO CS[C@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000618937347 363262801 /nfs/dbraw/zinc/26/28/01/363262801.db2.gz ZVKCUSNUMRXRGK-MRVPVSSYSA-N 1 2 241.360 1.555 20 0 BDADLO CC[C@H](NC(=O)c1cc[nH]c1)c1[nH]cc[nH+]1 ZINC000442823798 353866291 /nfs/dbraw/zinc/86/62/91/353866291.db2.gz RNLPOGCLAQWULU-VIFPVBQESA-N 1 2 218.260 1.619 20 0 BDADLO c1[nH]c2ncncc2c1C[N@@H+]1CCOCC12CC2 ZINC000639142359 353849531 /nfs/dbraw/zinc/84/95/31/353849531.db2.gz AXBORDOLGQDJES-UHFFFAOYSA-N 1 2 244.298 1.274 20 0 BDADLO c1[nH]c2ncncc2c1C[N@H+]1CCOCC12CC2 ZINC000639142359 353849532 /nfs/dbraw/zinc/84/95/32/353849532.db2.gz AXBORDOLGQDJES-UHFFFAOYSA-N 1 2 244.298 1.274 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccns2)C1 ZINC000639144625 353850897 /nfs/dbraw/zinc/85/08/97/353850897.db2.gz CTKPMUVJLXYFIE-VIFPVBQESA-N 1 2 216.281 1.049 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccns2)C1 ZINC000639144625 353850900 /nfs/dbraw/zinc/85/09/00/353850900.db2.gz CTKPMUVJLXYFIE-VIFPVBQESA-N 1 2 216.281 1.049 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cncs1 ZINC000353837659 353935733 /nfs/dbraw/zinc/93/57/33/353935733.db2.gz CPVHSZFSUZGWCH-UHFFFAOYSA-N 1 2 235.268 1.799 20 0 BDADLO Cc1cc(N2CCC[C@@]23CCOC3)nc[nH+]1 ZINC000343667916 353945062 /nfs/dbraw/zinc/94/50/62/353945062.db2.gz NHVABNCIBUCBHZ-LBPRGKRZSA-N 1 2 219.288 1.544 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](CC)CCOC)o1 ZINC000343640293 353950900 /nfs/dbraw/zinc/95/09/00/353950900.db2.gz ASORAHUGFIGJRG-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](CC)CCOC)o1 ZINC000343640293 353950901 /nfs/dbraw/zinc/95/09/01/353950901.db2.gz ASORAHUGFIGJRG-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000343740819 353969321 /nfs/dbraw/zinc/96/93/21/353969321.db2.gz YJOANKDZLCHFSF-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000343743325 353969903 /nfs/dbraw/zinc/96/99/03/353969903.db2.gz KRZGWQYWTLIWGQ-GYSYKLTISA-N 1 2 215.362 1.794 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000343743325 353969904 /nfs/dbraw/zinc/96/99/04/353969904.db2.gz KRZGWQYWTLIWGQ-GYSYKLTISA-N 1 2 215.362 1.794 20 0 BDADLO C[C@H]1CC[C@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000343787570 353993281 /nfs/dbraw/zinc/99/32/81/353993281.db2.gz RBQDCGOGZBVLSG-WDEREUQCSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1CC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000343787570 353993287 /nfs/dbraw/zinc/99/32/87/353993287.db2.gz RBQDCGOGZBVLSG-WDEREUQCSA-N 1 2 248.330 1.524 20 0 BDADLO Cc1nc(NCC[C@H]2CCO[C@H](C)C2)cc[nH+]1 ZINC000343652737 353954093 /nfs/dbraw/zinc/95/40/93/353954093.db2.gz LVIJSMRMBLCYQX-PWSUYJOCSA-N 1 2 235.331 1.824 20 0 BDADLO CCCCNc1cc(N[C@@H]2CC[C@H]2C)nc(N)[nH+]1 ZINC000343803375 354007656 /nfs/dbraw/zinc/00/76/56/354007656.db2.gz GCFBGZQYPDIVDZ-NXEZZACHSA-N 1 2 249.362 1.733 20 0 BDADLO CCCCNc1cc(N[C@@H]2CC[C@H]2C)[nH+]c(N)n1 ZINC000343803375 354007657 /nfs/dbraw/zinc/00/76/57/354007657.db2.gz GCFBGZQYPDIVDZ-NXEZZACHSA-N 1 2 249.362 1.733 20 0 BDADLO CCN(CCOC)c1[nH+]c(C)nc2[nH]ccc21 ZINC000343822968 354015449 /nfs/dbraw/zinc/01/54/49/354015449.db2.gz AEWHFXJOGOOBGB-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO COc1cncc(C[N@@H+]2CCn3ccnc3C2)c1 ZINC000343988907 354062383 /nfs/dbraw/zinc/06/23/83/354062383.db2.gz SFGANECSUZBXGB-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cncc(C[N@H+]2CCn3ccnc3C2)c1 ZINC000343988907 354062387 /nfs/dbraw/zinc/06/23/87/354062387.db2.gz SFGANECSUZBXGB-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC=C(F)C1 ZINC000334562994 354078107 /nfs/dbraw/zinc/07/81/07/354078107.db2.gz YQQPVGQFVNQZGC-NSHDSACASA-N 1 2 240.322 1.947 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC=C(F)C1 ZINC000334562994 354078111 /nfs/dbraw/zinc/07/81/11/354078111.db2.gz YQQPVGQFVNQZGC-NSHDSACASA-N 1 2 240.322 1.947 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1ccccc1O ZINC000344161777 354168532 /nfs/dbraw/zinc/16/85/32/354168532.db2.gz KCJBJRJYTKJBEC-JTQLQIEISA-N 1 2 237.299 1.428 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1O ZINC000344161777 354168536 /nfs/dbraw/zinc/16/85/36/354168536.db2.gz KCJBJRJYTKJBEC-JTQLQIEISA-N 1 2 237.299 1.428 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)[C@H](C)CO1 ZINC000651404853 491059371 /nfs/dbraw/zinc/05/93/71/491059371.db2.gz FALMPGZDGQPNKI-MWLCHTKSSA-N 1 2 221.304 1.789 20 0 BDADLO COCCOCC[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000344119359 354142311 /nfs/dbraw/zinc/14/23/11/354142311.db2.gz OKSOYLVEBCFZNL-SECBINFHSA-N 1 2 243.307 1.034 20 0 BDADLO COCCOCC[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000344119359 354142315 /nfs/dbraw/zinc/14/23/15/354142315.db2.gz OKSOYLVEBCFZNL-SECBINFHSA-N 1 2 243.307 1.034 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)no1 ZINC000344138359 354151144 /nfs/dbraw/zinc/15/11/44/354151144.db2.gz XSSMWXYITHNXFS-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](CO)C[C@H]2C)no1 ZINC000344138359 354151146 /nfs/dbraw/zinc/15/11/46/354151146.db2.gz XSSMWXYITHNXFS-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCC[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000230905227 363328725 /nfs/dbraw/zinc/32/87/25/363328725.db2.gz VKPPAANKNQLNHQ-LLVKDONJSA-N 1 2 209.293 1.748 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000231347730 363341994 /nfs/dbraw/zinc/34/19/94/363341994.db2.gz FOORGLSVNJQESA-YUMQZZPRSA-N 1 2 203.307 1.033 20 0 BDADLO CO[C@H]1CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000231683849 363349136 /nfs/dbraw/zinc/34/91/36/363349136.db2.gz CPAWERGSIRHHSG-ZJUUUORDSA-N 1 2 207.277 1.764 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccco1 ZINC000344305838 354215078 /nfs/dbraw/zinc/21/50/78/354215078.db2.gz OVIPJSBVCBIDGL-JTQLQIEISA-N 1 2 246.314 1.986 20 0 BDADLO CC[C@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000344325898 354249056 /nfs/dbraw/zinc/24/90/56/354249056.db2.gz PODYENYMUHUGPD-CYBMUJFWSA-N 1 2 235.331 1.922 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000344325899 354249171 /nfs/dbraw/zinc/24/91/71/354249171.db2.gz PODYENYMUHUGPD-ZDUSSCGKSA-N 1 2 235.331 1.922 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000529664720 324373922 /nfs/dbraw/zinc/37/39/22/324373922.db2.gz DPCPZLHNIDXBHP-GFCCVEGCSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000529664720 324373927 /nfs/dbraw/zinc/37/39/27/324373927.db2.gz DPCPZLHNIDXBHP-GFCCVEGCSA-N 1 2 239.315 1.825 20 0 BDADLO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000344320251 354223381 /nfs/dbraw/zinc/22/33/81/354223381.db2.gz CDPQMAJDPMMAJV-NSHDSACASA-N 1 2 249.314 1.740 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000344459827 354264955 /nfs/dbraw/zinc/26/49/55/354264955.db2.gz ICFIOUQWVSBFPJ-SECBINFHSA-N 1 2 208.309 1.815 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000344459827 354264957 /nfs/dbraw/zinc/26/49/57/354264957.db2.gz ICFIOUQWVSBFPJ-SECBINFHSA-N 1 2 208.309 1.815 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@H]1CCC(C)(C)C1 ZINC000344459828 354265011 /nfs/dbraw/zinc/26/50/11/354265011.db2.gz ICFIOUQWVSBFPJ-VIFPVBQESA-N 1 2 208.309 1.815 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1CCC(C)(C)C1 ZINC000344459828 354265014 /nfs/dbraw/zinc/26/50/14/354265014.db2.gz ICFIOUQWVSBFPJ-VIFPVBQESA-N 1 2 208.309 1.815 20 0 BDADLO CCN(C)C(=O)[C@@H](C)Nc1cccc[nH+]1 ZINC000231866987 363356409 /nfs/dbraw/zinc/35/64/09/363356409.db2.gz BBKKDRXBZOPPPT-SECBINFHSA-N 1 2 207.277 1.360 20 0 BDADLO Cc1ncc(CN[C@@H]2CCC[N@H+](C)[C@H]2C)cn1 ZINC000344339594 354235862 /nfs/dbraw/zinc/23/58/62/354235862.db2.gz YLCRVBKZOOKYQE-GXFFZTMASA-N 1 2 234.347 1.357 20 0 BDADLO Cc1ncc(CN[C@@H]2CCC[N@@H+](C)[C@H]2C)cn1 ZINC000344339594 354235865 /nfs/dbraw/zinc/23/58/65/354235865.db2.gz YLCRVBKZOOKYQE-GXFFZTMASA-N 1 2 234.347 1.357 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c[nH]2)c2[nH+]ccn21 ZINC000334611889 354294795 /nfs/dbraw/zinc/29/47/95/354294795.db2.gz SXPHYTRCEKWRSR-VXNVDRBHSA-N 1 2 248.261 1.786 20 0 BDADLO C[C@H]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000577975292 366154922 /nfs/dbraw/zinc/15/49/22/366154922.db2.gz HRTUJYRCQAIHBU-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000074234159 354324110 /nfs/dbraw/zinc/32/41/10/354324110.db2.gz PQQHUKAYRUKSCS-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO O[C@@H]([C@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000334621963 354358962 /nfs/dbraw/zinc/35/89/62/354358962.db2.gz VATUVPRAKPOGJD-WPRPVWTQSA-N 1 2 246.232 1.831 20 0 BDADLO CCc1cnccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000344758191 354351305 /nfs/dbraw/zinc/35/13/05/354351305.db2.gz ZNILKDWBPUWLNU-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CCc1cnccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000344758191 354351308 /nfs/dbraw/zinc/35/13/08/354351308.db2.gz ZNILKDWBPUWLNU-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO Cc1ccnc(-c2noc(Cn3cc[nH+]c3)n2)n1 ZINC000577996379 366165061 /nfs/dbraw/zinc/16/50/61/366165061.db2.gz HFOGGPINEKNENP-UHFFFAOYSA-N 1 2 242.242 1.080 20 0 BDADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000178835366 366169567 /nfs/dbraw/zinc/16/95/67/366169567.db2.gz ATCHAZLOQXJADS-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO CC1(CO)C[NH+](Cc2c(F)cccc2F)C1 ZINC000334646863 354437019 /nfs/dbraw/zinc/43/70/19/354437019.db2.gz LPNUWDKQNQEIFS-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]c(C)n2)[C@@H]1C ZINC000344975815 354404123 /nfs/dbraw/zinc/40/41/23/354404123.db2.gz CYCKBFYAWOVKOR-SCZZXKLOSA-N 1 2 235.287 1.173 20 0 BDADLO COc1ccc(F)c(N2CCn3c[nH+]cc3C2)n1 ZINC000578026506 366191335 /nfs/dbraw/zinc/19/13/35/366191335.db2.gz WBUFZUKGLPLKHJ-UHFFFAOYSA-N 1 2 248.261 1.446 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000334674258 354416896 /nfs/dbraw/zinc/41/68/96/354416896.db2.gz JLYUMOWULJTGTG-OAHLLOKOSA-N 1 2 243.294 1.782 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1CCC(F)(F)F ZINC000334674258 354416897 /nfs/dbraw/zinc/41/68/97/354416897.db2.gz JLYUMOWULJTGTG-OAHLLOKOSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@H]1C[C@@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000334693554 354484294 /nfs/dbraw/zinc/48/42/94/354484294.db2.gz GFGFVUMVWDIYET-YUMQZZPRSA-N 1 2 204.233 1.438 20 0 BDADLO Cc1cc(CN2C(=O)NC(C)(C)C2=O)cc(C)[nH+]1 ZINC000334662617 354462604 /nfs/dbraw/zinc/46/26/04/354462604.db2.gz LADDOIWWTHWHMR-UHFFFAOYSA-N 1 2 247.298 1.529 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000334749582 354474592 /nfs/dbraw/zinc/47/45/92/354474592.db2.gz QIDAIXBVBOGVHY-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BDADLO C[C@@H]1CC=C(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000334720876 354521114 /nfs/dbraw/zinc/52/11/14/354521114.db2.gz CMJFTGNLKATNFB-LLVKDONJSA-N 1 2 245.326 1.972 20 0 BDADLO Cc1cc(CN2CCn3c[nH+]cc3C2)sn1 ZINC000639191617 354523000 /nfs/dbraw/zinc/52/30/00/354523000.db2.gz LBHDZJZWFSRYRK-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2nccs2)c[nH+]1 ZINC000334806234 354562617 /nfs/dbraw/zinc/56/26/17/354562617.db2.gz AKEMBTGWMRCRIK-LURJTMIESA-N 1 2 236.300 1.666 20 0 BDADLO C[C@@H]1CC(F)(F)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000530009236 324456043 /nfs/dbraw/zinc/45/60/43/324456043.db2.gz JHGXNNIRTXHYPC-MRVPVSSYSA-N 1 2 243.257 1.598 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cc(C)ns1 ZINC000639203045 354609072 /nfs/dbraw/zinc/60/90/72/354609072.db2.gz GCHCXRIVWYKUDV-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cc(C)ns1 ZINC000639203045 354609073 /nfs/dbraw/zinc/60/90/73/354609073.db2.gz GCHCXRIVWYKUDV-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000335089643 354624802 /nfs/dbraw/zinc/62/48/02/354624802.db2.gz FYDWEFYJYDXOQM-ZJUUUORDSA-N 1 2 239.294 1.565 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCC[C@H](C)O ZINC000351942619 134015481 /nfs/dbraw/zinc/01/54/81/134015481.db2.gz HJZCASXJZWMWRH-VIFPVBQESA-N 1 2 237.303 1.591 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000335113498 354701771 /nfs/dbraw/zinc/70/17/71/354701771.db2.gz DEFYPDANJRBQRY-SNVBAGLBSA-N 1 2 246.301 1.934 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000335113498 354701773 /nfs/dbraw/zinc/70/17/73/354701773.db2.gz DEFYPDANJRBQRY-SNVBAGLBSA-N 1 2 246.301 1.934 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(C)(F)F ZINC000578082611 366231139 /nfs/dbraw/zinc/23/11/39/366231139.db2.gz VZVZUEWOIWZVPE-DTWKUNHWSA-N 1 2 234.290 1.487 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1cccnc1 ZINC000345523632 354672202 /nfs/dbraw/zinc/67/22/02/354672202.db2.gz SEBLPWUBNQYIAD-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CC[C@H]1CCCO1 ZINC000345730171 354746943 /nfs/dbraw/zinc/74/69/43/354746943.db2.gz YXNGDXPTVJUEOH-BDJLRTHQSA-N 1 2 242.344 1.238 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(C)ns1 ZINC000639211111 354746991 /nfs/dbraw/zinc/74/69/91/354746991.db2.gz MNYVJCYEKZRBAC-LLVKDONJSA-N 1 2 239.388 1.978 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1cc(C)ns1 ZINC000639211111 354746992 /nfs/dbraw/zinc/74/69/92/354746992.db2.gz MNYVJCYEKZRBAC-LLVKDONJSA-N 1 2 239.388 1.978 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132919 354779714 /nfs/dbraw/zinc/77/97/14/354779714.db2.gz MHPWTXRKSSTOKC-MNOVXSKESA-N 1 2 249.301 1.769 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132919 354779717 /nfs/dbraw/zinc/77/97/17/354779717.db2.gz MHPWTXRKSSTOKC-MNOVXSKESA-N 1 2 249.301 1.769 20 0 BDADLO CN(C)c1nccc(C[NH2+]Cc2cscn2)n1 ZINC000345698720 354735004 /nfs/dbraw/zinc/73/50/04/354735004.db2.gz IJWLSXQGSUIPCI-UHFFFAOYSA-N 1 2 249.343 1.289 20 0 BDADLO CC(C)(C(=O)NCc1ccco1)c1c[nH]c[nH+]1 ZINC000345646996 354736271 /nfs/dbraw/zinc/73/62/71/354736271.db2.gz RNNXUDHXRAZNKY-UHFFFAOYSA-N 1 2 233.271 1.597 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cnc2ccccc2n1 ZINC000345651073 354737353 /nfs/dbraw/zinc/73/73/53/354737353.db2.gz AMAGQLDFRWYCKU-UHFFFAOYSA-N 1 2 239.282 1.989 20 0 BDADLO CC(C)[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000232702940 363380025 /nfs/dbraw/zinc/38/00/25/363380025.db2.gz IAQZLGBUXOWPES-ZCFIWIBFSA-N 1 2 230.699 1.141 20 0 BDADLO CC(C)[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000232702940 363380027 /nfs/dbraw/zinc/38/00/27/363380027.db2.gz IAQZLGBUXOWPES-ZCFIWIBFSA-N 1 2 230.699 1.141 20 0 BDADLO CCOc1nnc(C[N@H+](C)[C@@H](CC)CO)s1 ZINC000345879736 354795050 /nfs/dbraw/zinc/79/50/50/354795050.db2.gz FEFBOFRYAKVDBF-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)[C@@H](CC)CO)s1 ZINC000345879736 354795054 /nfs/dbraw/zinc/79/50/54/354795054.db2.gz FEFBOFRYAKVDBF-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO CC[C@H](NC(=O)c1cnnc(C)c1)c1[nH]cc[nH+]1 ZINC000346249219 354878787 /nfs/dbraw/zinc/87/87/87/354878787.db2.gz IOAXQWIWCAVHCS-JTQLQIEISA-N 1 2 245.286 1.389 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCS(=O)CC1 ZINC000335148772 354862589 /nfs/dbraw/zinc/86/25/89/354862589.db2.gz ZIENZBNUFKJBRO-UHFFFAOYSA-N 1 2 241.360 1.028 20 0 BDADLO C[C@H]1COCC[N@@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000639217637 354866026 /nfs/dbraw/zinc/86/60/26/354866026.db2.gz INNUPFWWNYZBJP-CMPLNLGQSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@H]1COCC[N@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000639217637 354866028 /nfs/dbraw/zinc/86/60/28/354866028.db2.gz INNUPFWWNYZBJP-CMPLNLGQSA-N 1 2 235.331 1.592 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC1CCC1 ZINC000346324517 354896750 /nfs/dbraw/zinc/89/67/50/354896750.db2.gz YSNLMUAZNYNNBW-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC[C@H](O)C1 ZINC000346344850 354901146 /nfs/dbraw/zinc/90/11/46/354901146.db2.gz YDQDDXDDIKQIGP-IUCAKERBSA-N 1 2 236.271 1.190 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000335952636 134022136 /nfs/dbraw/zinc/02/21/36/134022136.db2.gz GKBSFLGPQKEVSD-BDAKNGLRSA-N 1 2 207.277 1.462 20 0 BDADLO O=C1CCCN1CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000335165964 354922936 /nfs/dbraw/zinc/92/29/36/354922936.db2.gz IAVPKVGWZMGPPV-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO O=C1CCCN1CC[N@H+]1Cc2cccc(F)c2C1 ZINC000335165964 354922938 /nfs/dbraw/zinc/92/29/38/354922938.db2.gz IAVPKVGWZMGPPV-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@@H]2CCCO2)[nH]1 ZINC000346447438 354943456 /nfs/dbraw/zinc/94/34/56/354943456.db2.gz RASMNWPDJZIIQK-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@@H]2CCCO2)[nH]1 ZINC000346447438 354943458 /nfs/dbraw/zinc/94/34/58/354943458.db2.gz RASMNWPDJZIIQK-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000623201813 354954183 /nfs/dbraw/zinc/95/41/83/354954183.db2.gz JOAIFDXFYXZYJY-MWLCHTKSSA-N 1 2 233.315 1.772 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000639224010 354956744 /nfs/dbraw/zinc/95/67/44/354956744.db2.gz XSKHRQZUFOEENX-NSHDSACASA-N 1 2 220.320 1.843 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H]1C1CC1 ZINC000639224010 354956746 /nfs/dbraw/zinc/95/67/46/354956746.db2.gz XSKHRQZUFOEENX-NSHDSACASA-N 1 2 220.320 1.843 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(O)cc1 ZINC000346508913 354962796 /nfs/dbraw/zinc/96/27/96/354962796.db2.gz RGWLLPFFQVMYJL-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCSCC2)[nH]1 ZINC000335197142 355030392 /nfs/dbraw/zinc/03/03/92/355030392.db2.gz VPRZRZXDGINIPI-SSDOTTSWSA-N 1 2 212.322 1.223 20 0 BDADLO Cc1nc(N2CC[C@@](C)(F)C2)nc(N(C)C)[nH+]1 ZINC000346658840 355004610 /nfs/dbraw/zinc/00/46/10/355004610.db2.gz PYXHJLSCSYNONH-LLVKDONJSA-N 1 2 239.298 1.184 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@](C)(F)C2)[nH+]1 ZINC000346658840 355004613 /nfs/dbraw/zinc/00/46/13/355004613.db2.gz PYXHJLSCSYNONH-LLVKDONJSA-N 1 2 239.298 1.184 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccco2)c[nH+]1 ZINC000335218169 355057273 /nfs/dbraw/zinc/05/72/73/355057273.db2.gz XXUKDFPOYUIKTR-RKDXNWHRSA-N 1 2 231.255 1.597 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000346695686 355059339 /nfs/dbraw/zinc/05/93/39/355059339.db2.gz FPUOHGXCZKYVGC-VHSXEESVSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H](C)[C@H](C)C2)[nH+]1 ZINC000346695686 355059342 /nfs/dbraw/zinc/05/93/42/355059342.db2.gz FPUOHGXCZKYVGC-VHSXEESVSA-N 1 2 249.362 1.728 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCCC1 ZINC000335231354 355091668 /nfs/dbraw/zinc/09/16/68/355091668.db2.gz SCRBKTPAXAGODE-SNVBAGLBSA-N 1 2 236.319 1.769 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000346825368 355126547 /nfs/dbraw/zinc/12/65/47/355126547.db2.gz MNOQWYFVBZOHLP-VHSXEESVSA-N 1 2 238.335 1.375 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000346825368 355126548 /nfs/dbraw/zinc/12/65/48/355126548.db2.gz MNOQWYFVBZOHLP-VHSXEESVSA-N 1 2 238.335 1.375 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000346825367 355126801 /nfs/dbraw/zinc/12/68/01/355126801.db2.gz MNOQWYFVBZOHLP-UWVGGRQHSA-N 1 2 238.335 1.375 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000346825367 355126805 /nfs/dbraw/zinc/12/68/05/355126805.db2.gz MNOQWYFVBZOHLP-UWVGGRQHSA-N 1 2 238.335 1.375 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)CC(C)(C)O ZINC000352002953 134033558 /nfs/dbraw/zinc/03/35/58/134033558.db2.gz OKDDXUKMEUEEDN-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)CC(C)(C)O ZINC000352002953 134033559 /nfs/dbraw/zinc/03/35/59/134033559.db2.gz OKDDXUKMEUEEDN-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncnn2C)CC1(C)C ZINC000639229966 355143059 /nfs/dbraw/zinc/14/30/59/355143059.db2.gz FISNMJJFZWYYQC-SNVBAGLBSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncnn2C)CC1(C)C ZINC000639229966 355143062 /nfs/dbraw/zinc/14/30/62/355143062.db2.gz FISNMJJFZWYYQC-SNVBAGLBSA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1C ZINC000639230021 355144775 /nfs/dbraw/zinc/14/47/75/355144775.db2.gz GHHSGLBIABHIMZ-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC000639230021 355144777 /nfs/dbraw/zinc/14/47/77/355144777.db2.gz GHHSGLBIABHIMZ-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO COc1cccc(C)c1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000639230676 355172271 /nfs/dbraw/zinc/17/22/71/355172271.db2.gz CUYQIRMIRGBCEQ-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000639230676 355172273 /nfs/dbraw/zinc/17/22/73/355172273.db2.gz CUYQIRMIRGBCEQ-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO CN(CCO)c1[nH+]ccc2ccccc21 ZINC000123793035 324602243 /nfs/dbraw/zinc/60/22/43/324602243.db2.gz LZPFRKLFLLLLCA-UHFFFAOYSA-N 1 2 202.257 1.663 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000335258744 355197840 /nfs/dbraw/zinc/19/78/40/355197840.db2.gz BUWCSUKDNQOOHO-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000335258744 355197842 /nfs/dbraw/zinc/19/78/42/355197842.db2.gz BUWCSUKDNQOOHO-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO CC1(C)CC[C@]2(C1)NC(=O)[C@@H]1CSCC[N@H+]12 ZINC000335259752 355200050 /nfs/dbraw/zinc/20/00/50/355200050.db2.gz SEBZAWWDJWAMRA-CABZTGNLSA-N 1 2 240.372 1.440 20 0 BDADLO CC1(C)CC[C@]2(C1)NC(=O)[C@@H]1CSCC[N@@H+]12 ZINC000335259752 355200053 /nfs/dbraw/zinc/20/00/53/355200053.db2.gz SEBZAWWDJWAMRA-CABZTGNLSA-N 1 2 240.372 1.440 20 0 BDADLO COC[C@H](C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413088026 191355695 /nfs/dbraw/zinc/35/56/95/191355695.db2.gz WDIBXPUZQIEIMP-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO COC[C@H](C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413088026 191355697 /nfs/dbraw/zinc/35/56/97/191355697.db2.gz WDIBXPUZQIEIMP-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO CN1CC[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]21 ZINC000639244030 355230766 /nfs/dbraw/zinc/23/07/66/355230766.db2.gz GFCBXENCRUZNHT-KOLCDFICSA-N 1 2 223.345 1.279 20 0 BDADLO CN1CC[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]21 ZINC000639244030 355230769 /nfs/dbraw/zinc/23/07/69/355230769.db2.gz GFCBXENCRUZNHT-KOLCDFICSA-N 1 2 223.345 1.279 20 0 BDADLO C[C@@H](O)CCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413174614 191361085 /nfs/dbraw/zinc/36/10/85/191361085.db2.gz PVRHCYNZVLVOFN-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](O)CCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413174614 191361088 /nfs/dbraw/zinc/36/10/88/191361088.db2.gz PVRHCYNZVLVOFN-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO CCC[C@@H](C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000639234558 355218855 /nfs/dbraw/zinc/21/88/55/355218855.db2.gz KLJHBWLLERWJON-UWVGGRQHSA-N 1 2 239.306 1.749 20 0 BDADLO CCC[C@@H](C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000639234558 355218856 /nfs/dbraw/zinc/21/88/56/355218856.db2.gz KLJHBWLLERWJON-UWVGGRQHSA-N 1 2 239.306 1.749 20 0 BDADLO Cc1cc(N[C@@H](C)c2ccn(C)n2)nc[nH+]1 ZINC000413466215 191382016 /nfs/dbraw/zinc/38/20/16/191382016.db2.gz XHYNRABQIBDHTJ-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO COCC[C@@H](C)CNc1cc(C)[nH+]cn1 ZINC000413487448 191388087 /nfs/dbraw/zinc/38/80/87/191388087.db2.gz CEEDFBKPLDRALB-SECBINFHSA-N 1 2 209.293 1.291 20 0 BDADLO COCC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC000413490046 191389552 /nfs/dbraw/zinc/38/95/52/191389552.db2.gz HXZDCHXBFJGLHN-SECBINFHSA-N 1 2 209.293 1.291 20 0 BDADLO Cn1cnnc1C[N@H+](C)C/C=C\c1ccccc1 ZINC000347643212 355271377 /nfs/dbraw/zinc/27/13/77/355271377.db2.gz MHNDUENFJXRXBW-TWGQIWQCSA-N 1 2 242.326 1.960 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C/C=C\c1ccccc1 ZINC000347643212 355271381 /nfs/dbraw/zinc/27/13/81/355271381.db2.gz MHNDUENFJXRXBW-TWGQIWQCSA-N 1 2 242.326 1.960 20 0 BDADLO COC(=O)[C@H]1C[C@@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000413558271 191397311 /nfs/dbraw/zinc/39/73/11/191397311.db2.gz HRAHPRUCTUTMIS-AOOOYVTPSA-N 1 2 249.314 1.385 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413317201 191371565 /nfs/dbraw/zinc/37/15/65/191371565.db2.gz YHDIQYSPWBJYJQ-BDAKNGLRSA-N 1 2 236.319 1.886 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413317201 191371568 /nfs/dbraw/zinc/37/15/68/191371568.db2.gz YHDIQYSPWBJYJQ-BDAKNGLRSA-N 1 2 236.319 1.886 20 0 BDADLO OCC1(CCNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413312038 191371765 /nfs/dbraw/zinc/37/17/65/191371765.db2.gz FQICQMCGQQJWHP-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO OCC1(CCNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413312038 191371768 /nfs/dbraw/zinc/37/17/68/191371768.db2.gz FQICQMCGQQJWHP-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO Cn1cnnc1C[N@H+](C)CC[C@@H]1CCCCO1 ZINC000347666163 355256779 /nfs/dbraw/zinc/25/67/79/355256779.db2.gz GRSKHXJBVNJKMP-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000347666163 355256782 /nfs/dbraw/zinc/25/67/82/355256782.db2.gz GRSKHXJBVNJKMP-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000413389198 191377856 /nfs/dbraw/zinc/37/78/56/191377856.db2.gz UAPIJGXFMRXVIN-AOOOYVTPSA-N 1 2 207.277 1.764 20 0 BDADLO COCc1csc(C[NH+]2CC(C)(O)C2)c1 ZINC000639253227 355290090 /nfs/dbraw/zinc/29/00/90/355290090.db2.gz BEWUJRDQKKOFPC-UHFFFAOYSA-N 1 2 227.329 1.461 20 0 BDADLO COc1cc(C)ccc1C[NH+]1CC(C)(O)C1 ZINC000639253739 355291992 /nfs/dbraw/zinc/29/19/92/355291992.db2.gz QGLWIFRRSUPOPK-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO CCC[C@H](C[NH+]1CC(OC(F)F)C1)OC ZINC000639262854 355317261 /nfs/dbraw/zinc/31/72/61/355317261.db2.gz BHNFRSXJQFPPAP-MRVPVSSYSA-N 1 2 223.263 1.725 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ccon2)cn1 ZINC000349240483 355373910 /nfs/dbraw/zinc/37/39/10/355373910.db2.gz MIAHSQLYDFCIMP-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349242190 355374956 /nfs/dbraw/zinc/37/49/56/355374956.db2.gz OIICRQUVBSTCEW-UWVGGRQHSA-N 1 2 239.319 1.581 20 0 BDADLO CC1(C)C[N@H+](Cc2ccns2)C[C@@H](CO)O1 ZINC000639271812 355340082 /nfs/dbraw/zinc/34/00/82/355340082.db2.gz DTEDKFYSYHCDSL-VIFPVBQESA-N 1 2 242.344 1.115 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccns2)C[C@@H](CO)O1 ZINC000639271812 355340084 /nfs/dbraw/zinc/34/00/84/355340084.db2.gz DTEDKFYSYHCDSL-VIFPVBQESA-N 1 2 242.344 1.115 20 0 BDADLO Cc1nnsc1C[NH+]1CC(CC(F)F)C1 ZINC000639278227 355361920 /nfs/dbraw/zinc/36/19/20/355361920.db2.gz BPZCATZDEAJEGF-UHFFFAOYSA-N 1 2 233.287 1.934 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335791974 355444485 /nfs/dbraw/zinc/44/44/85/355444485.db2.gz WHLBXUUEQHGFMK-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)cnn2C)C[C@@H](C)O1 ZINC000335811179 355496623 /nfs/dbraw/zinc/49/66/23/355496623.db2.gz QUMYJMPJISPWKN-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)cnn2C)C[C@@H](C)O1 ZINC000335811179 355496625 /nfs/dbraw/zinc/49/66/25/355496625.db2.gz QUMYJMPJISPWKN-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc3c(c2)CCO3)n1 ZINC000349851393 355481952 /nfs/dbraw/zinc/48/19/52/355481952.db2.gz HATCRHTZDGLHOY-UHFFFAOYSA-N 1 2 245.282 1.315 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CCCCO ZINC000349934430 355531089 /nfs/dbraw/zinc/53/10/89/355531089.db2.gz LKLBPNDDIUFFDG-UHFFFAOYSA-N 1 2 240.351 1.201 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CCCCO ZINC000349934430 355531093 /nfs/dbraw/zinc/53/10/93/355531093.db2.gz LKLBPNDDIUFFDG-UHFFFAOYSA-N 1 2 240.351 1.201 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N(C)c1nccs1 ZINC000335824940 355547717 /nfs/dbraw/zinc/54/77/17/355547717.db2.gz UFROXHZTZBHSDG-DTORHVGOSA-N 1 2 239.344 1.589 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000335824940 355547722 /nfs/dbraw/zinc/54/77/22/355547722.db2.gz UFROXHZTZBHSDG-DTORHVGOSA-N 1 2 239.344 1.589 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000335830437 355556870 /nfs/dbraw/zinc/55/68/70/355556870.db2.gz DZGDNENPSSAFNO-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1n[nH]cc1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000335831008 355557881 /nfs/dbraw/zinc/55/78/81/355557881.db2.gz LCIMUKXCJDRJDT-RKDXNWHRSA-N 1 2 241.360 1.059 20 0 BDADLO CCc1ccc(OCc2nc(C[NH2+]C)no2)cc1 ZINC000349900224 355522331 /nfs/dbraw/zinc/52/23/31/355522331.db2.gz XMNUKLLHUDYJTR-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO CSc1ccc[nH+]c1N[C@H](C)Cn1cncn1 ZINC000639292580 355523003 /nfs/dbraw/zinc/52/30/03/355523003.db2.gz JSAIMNMIXWKOEC-SECBINFHSA-N 1 2 249.343 1.896 20 0 BDADLO FC1(F)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000335847600 355591490 /nfs/dbraw/zinc/59/14/90/355591490.db2.gz ROACTEACDRGJHG-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000335847600 355591494 /nfs/dbraw/zinc/59/14/94/355591494.db2.gz ROACTEACDRGJHG-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO CCC[C@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639310491 355670309 /nfs/dbraw/zinc/67/03/09/355670309.db2.gz PMMAEWDYQWVUKU-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639310491 355670310 /nfs/dbraw/zinc/67/03/10/355670310.db2.gz PMMAEWDYQWVUKU-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO COCCC1C[NH+](Cc2ncc(C)o2)C1 ZINC000639306997 355661385 /nfs/dbraw/zinc/66/13/85/355661385.db2.gz YWABTYNDGPVZKK-UHFFFAOYSA-N 1 2 210.277 1.451 20 0 BDADLO CCN1CC[N@H+](Cc2ccncc2)[C@@H](C)C1=O ZINC000335860305 355622973 /nfs/dbraw/zinc/62/29/73/355622973.db2.gz FVUPIQBGNQGPJM-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[N@@H+](Cc2ccncc2)[C@@H](C)C1=O ZINC000335860305 355622975 /nfs/dbraw/zinc/62/29/75/355622975.db2.gz FVUPIQBGNQGPJM-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCOC1CCC1 ZINC000329227176 181204014 /nfs/dbraw/zinc/20/40/14/181204014.db2.gz HXZSEDUUNOTEQD-JTQLQIEISA-N 1 2 244.360 1.508 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1CCOC1CCC1 ZINC000329227176 181204015 /nfs/dbraw/zinc/20/40/15/181204015.db2.gz HXZSEDUUNOTEQD-JTQLQIEISA-N 1 2 244.360 1.508 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)sn1 ZINC000639305886 355670006 /nfs/dbraw/zinc/67/00/06/355670006.db2.gz FUCHIJXDWHAZKU-WPRPVWTQSA-N 1 2 249.343 1.839 20 0 BDADLO COC[C@H](C)C[N@@H+]1Cc2cnn(C)c2C1 ZINC000639320433 355721186 /nfs/dbraw/zinc/72/11/86/355721186.db2.gz MBSHVTIEEWWRQF-SECBINFHSA-N 1 2 209.293 1.018 20 0 BDADLO COC[C@H](C)C[N@H+]1Cc2cnn(C)c2C1 ZINC000639320433 355721188 /nfs/dbraw/zinc/72/11/88/355721188.db2.gz MBSHVTIEEWWRQF-SECBINFHSA-N 1 2 209.293 1.018 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320961 355722107 /nfs/dbraw/zinc/72/21/07/355722107.db2.gz QLSUTLMUJWKULW-GXFFZTMASA-N 1 2 237.347 1.797 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320961 355722111 /nfs/dbraw/zinc/72/21/11/355722111.db2.gz QLSUTLMUJWKULW-GXFFZTMASA-N 1 2 237.347 1.797 20 0 BDADLO Cn1ncc2c1C[N@H+](CC1CCSCC1)C2 ZINC000639323128 355714511 /nfs/dbraw/zinc/71/45/11/355714511.db2.gz WAHZPWUOKWTZSL-UHFFFAOYSA-N 1 2 237.372 1.879 20 0 BDADLO Cn1ncc2c1C[N@@H+](CC1CCSCC1)C2 ZINC000639323128 355714513 /nfs/dbraw/zinc/71/45/13/355714513.db2.gz WAHZPWUOKWTZSL-UHFFFAOYSA-N 1 2 237.372 1.879 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]2CCC[C@H]21 ZINC000335882680 355672738 /nfs/dbraw/zinc/67/27/38/355672738.db2.gz SOBCBABTYFCNOH-VXGBXAGGSA-N 1 2 233.315 1.674 20 0 BDADLO c1nc2n(n1)CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000335889680 355681554 /nfs/dbraw/zinc/68/15/54/355681554.db2.gz XQVLKUXOKJHPOG-SNVBAGLBSA-N 1 2 204.277 1.202 20 0 BDADLO c1nc2n(n1)CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000335889680 355681556 /nfs/dbraw/zinc/68/15/56/355681556.db2.gz XQVLKUXOKJHPOG-SNVBAGLBSA-N 1 2 204.277 1.202 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@H](F)C1 ZINC000639312897 355684094 /nfs/dbraw/zinc/68/40/94/355684094.db2.gz KQSLRCWXHWZDJT-QMMMGPOBSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@H](F)C1 ZINC000639312897 355684096 /nfs/dbraw/zinc/68/40/96/355684096.db2.gz KQSLRCWXHWZDJT-QMMMGPOBSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1ccsc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639335944 355768898 /nfs/dbraw/zinc/76/88/98/355768898.db2.gz CFEVCDSUDZYOJX-LLVKDONJSA-N 1 2 240.372 1.165 20 0 BDADLO Cc1ccsc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639335944 355768903 /nfs/dbraw/zinc/76/89/03/355768903.db2.gz CFEVCDSUDZYOJX-LLVKDONJSA-N 1 2 240.372 1.165 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cnn[nH]2)c(C)n1 ZINC000639341916 355784049 /nfs/dbraw/zinc/78/40/49/355784049.db2.gz PUWACPBKUFPAPY-SSDOTTSWSA-N 1 2 232.291 1.062 20 0 BDADLO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000639342526 355784587 /nfs/dbraw/zinc/78/45/87/355784587.db2.gz WYARPSLOPDADBK-GXFFZTMASA-N 1 2 246.314 1.671 20 0 BDADLO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000639342526 355784591 /nfs/dbraw/zinc/78/45/91/355784591.db2.gz WYARPSLOPDADBK-GXFFZTMASA-N 1 2 246.314 1.671 20 0 BDADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC2(C1)CCCO2 ZINC000639348635 355789997 /nfs/dbraw/zinc/78/99/97/355789997.db2.gz XUPUPRCSQOTFFN-LBPRGKRZSA-N 1 2 247.342 1.736 20 0 BDADLO NC(=O)C1(CNc2cccc[nH+]2)CCCC1 ZINC000267518208 181213848 /nfs/dbraw/zinc/21/38/48/181213848.db2.gz LFEALJPHNCQBIS-UHFFFAOYSA-N 1 2 219.288 1.539 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363389 355846492 /nfs/dbraw/zinc/84/64/92/355846492.db2.gz IAYSIAOQGCIAJD-WPRPVWTQSA-N 1 2 240.376 1.815 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363389 355846496 /nfs/dbraw/zinc/84/64/96/355846496.db2.gz IAYSIAOQGCIAJD-WPRPVWTQSA-N 1 2 240.376 1.815 20 0 BDADLO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363366 355847711 /nfs/dbraw/zinc/84/77/11/355847711.db2.gz HNCLGJURDYTWOY-QWRGUYRKSA-N 1 2 208.309 1.719 20 0 BDADLO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363366 355847715 /nfs/dbraw/zinc/84/77/15/355847715.db2.gz HNCLGJURDYTWOY-QWRGUYRKSA-N 1 2 208.309 1.719 20 0 BDADLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363557 355848106 /nfs/dbraw/zinc/84/81/06/355848106.db2.gz OFBKIMXYFNXWFG-SCZZXKLOSA-N 1 2 226.349 1.424 20 0 BDADLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363557 355848108 /nfs/dbraw/zinc/84/81/08/355848108.db2.gz OFBKIMXYFNXWFG-SCZZXKLOSA-N 1 2 226.349 1.424 20 0 BDADLO c1c[nH+]c(CNCc2cc(C3CC3)no2)[nH]1 ZINC000639367285 355849314 /nfs/dbraw/zinc/84/93/14/355849314.db2.gz PPIAMHHHMBEMNQ-UHFFFAOYSA-N 1 2 218.260 1.565 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254113 355852935 /nfs/dbraw/zinc/85/29/35/355852935.db2.gz IICTWVPSTATRJJ-SECBINFHSA-N 1 2 231.255 1.139 20 0 BDADLO c1c[nH+]c(CNCc2nc3c(s2)CCC3)[nH]1 ZINC000639369579 355856408 /nfs/dbraw/zinc/85/64/08/355856408.db2.gz ABMWOHIIBPWEGP-UHFFFAOYSA-N 1 2 234.328 1.645 20 0 BDADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cocn1 ZINC000639370154 355861034 /nfs/dbraw/zinc/86/10/34/355861034.db2.gz IJLVLWZAZKYFNJ-LBPRGKRZSA-N 1 2 237.303 1.165 20 0 BDADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cocn1 ZINC000639370154 355861037 /nfs/dbraw/zinc/86/10/37/355861037.db2.gz IJLVLWZAZKYFNJ-LBPRGKRZSA-N 1 2 237.303 1.165 20 0 BDADLO CCc1cc(NCCCCC(=O)OC)nc[nH+]1 ZINC000609586287 355925244 /nfs/dbraw/zinc/92/52/44/355925244.db2.gz DYQAIMDWNHJDDF-UHFFFAOYSA-N 1 2 237.303 1.216 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC=CCC1 ZINC000623256211 355935848 /nfs/dbraw/zinc/93/58/48/355935848.db2.gz BIPQPSJKGLDXSC-BXUZGUMPSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC=CCC1 ZINC000623256214 355936283 /nfs/dbraw/zinc/93/62/83/355936283.db2.gz BIPQPSJKGLDXSC-SMDDNHRTSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC000583635518 355942882 /nfs/dbraw/zinc/94/28/82/355942882.db2.gz KWVOYWAGQLBGRN-OUAUKWLOSA-N 1 2 221.304 1.749 20 0 BDADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000351151348 355955127 /nfs/dbraw/zinc/95/51/27/355955127.db2.gz XIXAPVHCMABWBX-JQWIXIFHSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000351151348 355955128 /nfs/dbraw/zinc/95/51/28/355955128.db2.gz XIXAPVHCMABWBX-JQWIXIFHSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623256552 355959873 /nfs/dbraw/zinc/95/98/73/355959873.db2.gz PQRKBJSEEAEJSF-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO COCCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747375 355970095 /nfs/dbraw/zinc/97/00/95/355970095.db2.gz AVUADAHSOMHWET-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747375 355970097 /nfs/dbraw/zinc/97/00/97/355970097.db2.gz AVUADAHSOMHWET-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCN1CC[N@H+](CCc2ccncc2)[C@@H](C)C1=O ZINC000351622381 356031983 /nfs/dbraw/zinc/03/19/83/356031983.db2.gz SIYICANFWPAHLT-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@@H+](CCc2ccncc2)[C@@H](C)C1=O ZINC000351622381 356031984 /nfs/dbraw/zinc/03/19/84/356031984.db2.gz SIYICANFWPAHLT-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CC(C)(CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623257448 356037892 /nfs/dbraw/zinc/03/78/92/356037892.db2.gz KETVESJVPKKJEN-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)(CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623257447 356038553 /nfs/dbraw/zinc/03/85/53/356038553.db2.gz KETVESJVPKKJEN-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1cccn1C ZINC000351642880 356041366 /nfs/dbraw/zinc/04/13/66/356041366.db2.gz ZCXDCMDUJDPIKC-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1cccn1C ZINC000351642880 356041368 /nfs/dbraw/zinc/04/13/68/356041368.db2.gz ZCXDCMDUJDPIKC-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CCCCO)no1 ZINC000351645049 356042629 /nfs/dbraw/zinc/04/26/29/356042629.db2.gz BWKPXQGVMVFFRJ-MRVPVSSYSA-N 1 2 213.281 1.143 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CCCCO)no1 ZINC000351645049 356042630 /nfs/dbraw/zinc/04/26/30/356042630.db2.gz BWKPXQGVMVFFRJ-MRVPVSSYSA-N 1 2 213.281 1.143 20 0 BDADLO NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000022149662 181237346 /nfs/dbraw/zinc/23/73/46/181237346.db2.gz DXUNOKXEBZMGTK-CQSZACIVSA-N 1 2 241.294 1.246 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000351544324 356012740 /nfs/dbraw/zinc/01/27/40/356012740.db2.gz MEUJBRJNEUEUQC-DOGVGXBMSA-N 1 2 235.331 1.761 20 0 BDADLO Cn1nncc1CSc1[nH+]cc2ccccn21 ZINC000351554496 356015623 /nfs/dbraw/zinc/01/56/23/356015623.db2.gz ISVXMKDKPQVYSC-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257211 356022705 /nfs/dbraw/zinc/02/27/05/356022705.db2.gz HHEWHSWPKSUKIO-SUNKGSAMSA-N 1 2 247.342 1.750 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374538897 181233133 /nfs/dbraw/zinc/23/31/33/181233133.db2.gz SSKANYFYNQJMSM-GFCCVEGCSA-N 1 2 222.263 1.042 20 0 BDADLO NC(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374538897 181233136 /nfs/dbraw/zinc/23/31/36/181233136.db2.gz SSKANYFYNQJMSM-GFCCVEGCSA-N 1 2 222.263 1.042 20 0 BDADLO CCC(C)(C)[N@H+](C)Cc1noc(CCOC)n1 ZINC000351713822 356068492 /nfs/dbraw/zinc/06/84/92/356068492.db2.gz XDQMZAWVJQVWNJ-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCC(C)(C)[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351713822 356068496 /nfs/dbraw/zinc/06/84/96/356068496.db2.gz XDQMZAWVJQVWNJ-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO Cc1coc(C)c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259263 356082479 /nfs/dbraw/zinc/08/24/79/356082479.db2.gz WXGWQUVPXXBJTK-JTQLQIEISA-N 1 2 245.282 1.448 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261296 356145258 /nfs/dbraw/zinc/14/52/58/356145258.db2.gz KEMDJWJWYTXRFK-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261493 356152218 /nfs/dbraw/zinc/15/22/18/356152218.db2.gz UJBONAHOQFKCHQ-LLMHMKPQSA-N 1 2 231.299 1.446 20 0 BDADLO CC[C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000617634902 356218909 /nfs/dbraw/zinc/21/89/09/356218909.db2.gz DAKPDVUMDIVNPM-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000617635509 356224026 /nfs/dbraw/zinc/22/40/26/356224026.db2.gz QZJKYDJBROBJPL-NWDGAFQWSA-N 1 2 249.358 1.998 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCCC[C@H]1CO ZINC000639452043 356232059 /nfs/dbraw/zinc/23/20/59/356232059.db2.gz NSIZPEOZRFEQTO-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CCCC[C@H]1CO ZINC000639452043 356232062 /nfs/dbraw/zinc/23/20/62/356232062.db2.gz NSIZPEOZRFEQTO-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO Cc1nnc(C[NH+]2C[C@H](C)S[C@@H](C)C2)[nH]1 ZINC000336110511 134086500 /nfs/dbraw/zinc/08/65/00/134086500.db2.gz YRFSPMLHVOQYBV-YUMQZZPRSA-N 1 2 226.349 1.439 20 0 BDADLO CCC(F)(F)CN(C)CC[NH+]1CCOCC1 ZINC000639473994 356267491 /nfs/dbraw/zinc/26/74/91/356267491.db2.gz QQJZQEISBHYAOT-UHFFFAOYSA-N 1 2 236.306 1.296 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000639454593 356239811 /nfs/dbraw/zinc/23/98/11/356239811.db2.gz IFVUGHUIONHNIK-GFCCVEGCSA-N 1 2 233.315 1.553 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000639454593 356239813 /nfs/dbraw/zinc/23/98/13/356239813.db2.gz IFVUGHUIONHNIK-GFCCVEGCSA-N 1 2 233.315 1.553 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000639460643 356244748 /nfs/dbraw/zinc/24/47/48/356244748.db2.gz KHAQZXDIYXPWQX-LLVKDONJSA-N 1 2 248.317 1.880 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000639460643 356244752 /nfs/dbraw/zinc/24/47/52/356244752.db2.gz KHAQZXDIYXPWQX-LLVKDONJSA-N 1 2 248.317 1.880 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC(C)(C)CO1 ZINC000639487818 356304583 /nfs/dbraw/zinc/30/45/83/356304583.db2.gz XPIDZSPQYCGCIR-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC(C)(C)CO1 ZINC000639487818 356304585 /nfs/dbraw/zinc/30/45/85/356304585.db2.gz XPIDZSPQYCGCIR-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO CCCC[C@H](C)[N@H+](C)Cc1nnn(C)n1 ZINC000352390581 356335674 /nfs/dbraw/zinc/33/56/74/356335674.db2.gz DXVNKVZSWUGGAR-VIFPVBQESA-N 1 2 211.313 1.221 20 0 BDADLO CCCC[C@H](C)[N@@H+](C)Cc1nnn(C)n1 ZINC000352390581 356335676 /nfs/dbraw/zinc/33/56/76/356335676.db2.gz DXVNKVZSWUGGAR-VIFPVBQESA-N 1 2 211.313 1.221 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000639508480 356336455 /nfs/dbraw/zinc/33/64/55/356336455.db2.gz MIMMLMRCKNXTAH-UHFFFAOYSA-N 1 2 248.317 1.880 20 0 BDADLO CC(C)C[C@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623268904 356350570 /nfs/dbraw/zinc/35/05/70/356350570.db2.gz ZFXUEBGEGJJQPY-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(C)(O)CC1 ZINC000639517952 356359861 /nfs/dbraw/zinc/35/98/61/356359861.db2.gz UHQOARYLAMSPEW-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cnc(C2CC2)o1 ZINC000639525057 356374151 /nfs/dbraw/zinc/37/41/51/356374151.db2.gz RGJFEZVICYQXLI-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000302743862 181270208 /nfs/dbraw/zinc/27/02/08/181270208.db2.gz NVVMFHSGDPFBIX-JTQLQIEISA-N 1 2 245.282 1.278 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000302743862 181270211 /nfs/dbraw/zinc/27/02/11/181270211.db2.gz NVVMFHSGDPFBIX-JTQLQIEISA-N 1 2 245.282 1.278 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(O)c2)[C@@H](C)C1=O ZINC000336530211 356387225 /nfs/dbraw/zinc/38/72/25/356387225.db2.gz IALRXKZGYBVYFA-NSHDSACASA-N 1 2 248.326 1.445 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(O)c2)[C@@H](C)C1=O ZINC000336530211 356387229 /nfs/dbraw/zinc/38/72/29/356387229.db2.gz IALRXKZGYBVYFA-NSHDSACASA-N 1 2 248.326 1.445 20 0 BDADLO CCC(F)(F)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000639535784 356387995 /nfs/dbraw/zinc/38/79/95/356387995.db2.gz METNAONHUOOLBQ-UHFFFAOYSA-N 1 2 234.290 1.810 20 0 BDADLO CC[C@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336140707 134100045 /nfs/dbraw/zinc/10/00/45/134100045.db2.gz NNTJVLPOOHNRSI-WDEREUQCSA-N 1 2 235.331 1.782 20 0 BDADLO C[N@H+](Cc1ccns1)C1(C(N)=O)CCCC1 ZINC000639547910 356411463 /nfs/dbraw/zinc/41/14/63/356411463.db2.gz NOQQLCVDBJJSFT-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO C[N@@H+](Cc1ccns1)C1(C(N)=O)CCCC1 ZINC000639547910 356411465 /nfs/dbraw/zinc/41/14/65/356411465.db2.gz NOQQLCVDBJJSFT-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623274323 356409430 /nfs/dbraw/zinc/40/94/30/356409430.db2.gz JVFVQPOJJBTDOM-SNVBAGLBSA-N 1 2 221.304 1.360 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(C3(C)CC3)no2)C1 ZINC000420504134 192244656 /nfs/dbraw/zinc/24/46/56/192244656.db2.gz WDRVQWOWLHVDBP-VIFPVBQESA-N 1 2 237.303 1.514 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(C3(C)CC3)no2)C1 ZINC000420504134 192244659 /nfs/dbraw/zinc/24/46/59/192244659.db2.gz WDRVQWOWLHVDBP-VIFPVBQESA-N 1 2 237.303 1.514 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CC)C[C@H](C)O ZINC000352214450 134108330 /nfs/dbraw/zinc/10/83/30/134108330.db2.gz ZMSHGRNISCKZSR-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CC)C[C@H](C)O ZINC000352214450 134108331 /nfs/dbraw/zinc/10/83/31/134108331.db2.gz ZMSHGRNISCKZSR-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1cccnc1 ZINC000580388433 356441276 /nfs/dbraw/zinc/44/12/76/356441276.db2.gz KYYSTFOPVJIEDT-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO CCc1nc(C[N@@H+]2CCSC[C@@H](C)C2)no1 ZINC000190474285 356445211 /nfs/dbraw/zinc/44/52/11/356445211.db2.gz WRFGUVFOANUDMG-VIFPVBQESA-N 1 2 241.360 1.817 20 0 BDADLO CCc1nc(C[N@H+]2CCSC[C@@H](C)C2)no1 ZINC000190474285 356445216 /nfs/dbraw/zinc/44/52/16/356445216.db2.gz WRFGUVFOANUDMG-VIFPVBQESA-N 1 2 241.360 1.817 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623281841 356466932 /nfs/dbraw/zinc/46/69/32/356466932.db2.gz DXQMQJRBZMOVJT-GFCCVEGCSA-N 1 2 241.294 1.546 20 0 BDADLO COCCO[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000179344602 366247297 /nfs/dbraw/zinc/24/72/97/366247297.db2.gz HOEXZBLLNLTILR-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO COCCO[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000179344602 366247301 /nfs/dbraw/zinc/24/73/01/366247301.db2.gz HOEXZBLLNLTILR-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CC(C)(C)O)n1 ZINC000420918643 192273684 /nfs/dbraw/zinc/27/36/84/192273684.db2.gz WWDFTNSNPVXVHH-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CC(C)(C)O)n1 ZINC000420918643 192273686 /nfs/dbraw/zinc/27/36/86/192273686.db2.gz WWDFTNSNPVXVHH-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ncn(C)n1 ZINC000639602370 356521503 /nfs/dbraw/zinc/52/15/03/356521503.db2.gz SVCFAMVXFBCJDB-NXEZZACHSA-N 1 2 238.335 1.281 20 0 BDADLO C[C@H]1C[C@@H](c2nc(Cc3c[nH+]cn3C)no2)CO1 ZINC000350196612 366261796 /nfs/dbraw/zinc/26/17/96/366261796.db2.gz KTBQYTMOZSEESL-DTWKUNHWSA-N 1 2 248.286 1.286 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nn(C)cc1Cl ZINC000420961899 192281130 /nfs/dbraw/zinc/28/11/30/192281130.db2.gz JQOGHCMKXSWLQT-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420961899 192281132 /nfs/dbraw/zinc/28/11/32/192281132.db2.gz JQOGHCMKXSWLQT-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO C[C@H]1C[C@@H]1c1noc(Cc2c[nH+]cn2C)n1 ZINC000350402502 366275930 /nfs/dbraw/zinc/27/59/30/366275930.db2.gz GCIXXVCCQPHRIG-CBAPKCEASA-N 1 2 218.260 1.517 20 0 BDADLO C[C@H]1C[C@H]1c1noc(Cc2c[nH+]cn2C)n1 ZINC000350402504 366276398 /nfs/dbraw/zinc/27/63/98/366276398.db2.gz GCIXXVCCQPHRIG-IONNQARKSA-N 1 2 218.260 1.517 20 0 BDADLO Cn1c[nH+]cc1Cc1nc([C@H]2CCCO2)no1 ZINC000350414815 366277651 /nfs/dbraw/zinc/27/76/51/366277651.db2.gz MVZAWCWWNJQGMH-SECBINFHSA-N 1 2 234.259 1.245 20 0 BDADLO CC(C)CCc1noc(Cc2c[nH+]cn2C)n1 ZINC000350422424 366277665 /nfs/dbraw/zinc/27/76/65/366277665.db2.gz RAYIQIPYEPPLJD-UHFFFAOYSA-N 1 2 234.303 1.983 20 0 BDADLO c1nc2n(n1)[C@H](C[N@@H+]1Cc3cccnc3C1)CC2 ZINC000639623794 356543385 /nfs/dbraw/zinc/54/33/85/356543385.db2.gz MJOIIPPHNKSXKK-NSHDSACASA-N 1 2 241.298 1.176 20 0 BDADLO c1nc2n(n1)[C@H](C[N@H+]1Cc3cccnc3C1)CC2 ZINC000639623794 356543390 /nfs/dbraw/zinc/54/33/90/356543390.db2.gz MJOIIPPHNKSXKK-NSHDSACASA-N 1 2 241.298 1.176 20 0 BDADLO Cc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000336195221 134125740 /nfs/dbraw/zinc/12/57/40/134125740.db2.gz UYAAFAGKUBXZGA-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cccc(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000336195221 134125741 /nfs/dbraw/zinc/12/57/41/134125741.db2.gz UYAAFAGKUBXZGA-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000639633570 356547842 /nfs/dbraw/zinc/54/78/42/356547842.db2.gz ZZRMMXGBVBTOKC-UHFFFAOYSA-N 1 2 236.290 1.931 20 0 BDADLO c1c(C[N@@H+]2CC[C@@]23CCOC3)nc2ccccn12 ZINC000421009550 192299486 /nfs/dbraw/zinc/29/94/86/192299486.db2.gz BRTHUKDAKKWUQN-AWEZNQCLSA-N 1 2 243.310 1.699 20 0 BDADLO c1c(C[N@H+]2CC[C@@]23CCOC3)nc2ccccn12 ZINC000421009550 192299489 /nfs/dbraw/zinc/29/94/89/192299489.db2.gz BRTHUKDAKKWUQN-AWEZNQCLSA-N 1 2 243.310 1.699 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297285 356549901 /nfs/dbraw/zinc/54/99/01/356549901.db2.gz ATSSCGPEZJIAHT-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cn[nH]c1)C1CCC1 ZINC000613545051 363475109 /nfs/dbraw/zinc/47/51/09/363475109.db2.gz KYUSXDIKSPMFSN-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cn[nH]c1)C1CCC1 ZINC000613545051 363475113 /nfs/dbraw/zinc/47/51/13/363475113.db2.gz KYUSXDIKSPMFSN-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639648259 356554411 /nfs/dbraw/zinc/55/44/11/356554411.db2.gz NGCKHVPYCBZRGR-JTQLQIEISA-N 1 2 238.335 1.062 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639648259 356554414 /nfs/dbraw/zinc/55/44/14/356554414.db2.gz NGCKHVPYCBZRGR-JTQLQIEISA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H]1OCC[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000639648152 356554495 /nfs/dbraw/zinc/55/44/95/356554495.db2.gz YKEGDVUDUDVOIQ-NXEZZACHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1OCC[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000639648152 356554497 /nfs/dbraw/zinc/55/44/97/356554497.db2.gz YKEGDVUDUDVOIQ-NXEZZACHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000639648154 356554592 /nfs/dbraw/zinc/55/45/92/356554592.db2.gz YKEGDVUDUDVOIQ-VHSXEESVSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000639648154 356554593 /nfs/dbraw/zinc/55/45/93/356554593.db2.gz YKEGDVUDUDVOIQ-VHSXEESVSA-N 1 2 235.274 1.379 20 0 BDADLO CC[C@@H]([NH2+]CCCC1(O)CCC1)C(=O)OC ZINC000421202617 192313095 /nfs/dbraw/zinc/31/30/95/192313095.db2.gz OYSPNYZLGWUNON-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000623299096 356556881 /nfs/dbraw/zinc/55/68/81/356556881.db2.gz QEVLUJVJSBZGMA-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1COCC[C@H]1c1noc(C[NH+](C)C)n1 ZINC000350587271 366303612 /nfs/dbraw/zinc/30/36/12/366303612.db2.gz FTSSAWZMYQWOSR-RKDXNWHRSA-N 1 2 225.292 1.271 20 0 BDADLO CCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299853 356559678 /nfs/dbraw/zinc/55/96/78/356559678.db2.gz DNVFZFOBEIVZGI-NSHDSACASA-N 1 2 235.331 1.894 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CC[C@@]23CCOC3)n1 ZINC000421030664 192309463 /nfs/dbraw/zinc/30/94/63/192309463.db2.gz YZDKGWLNEAFMJO-ZDUSSCGKSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CC[C@@]23CCOC3)n1 ZINC000421030664 192309466 /nfs/dbraw/zinc/30/94/66/192309466.db2.gz YZDKGWLNEAFMJO-ZDUSSCGKSA-N 1 2 235.331 1.829 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H](O)C1CCC1 ZINC000449795898 202040326 /nfs/dbraw/zinc/04/03/26/202040326.db2.gz DPCPKPWEVZAPMQ-NSHDSACASA-N 1 2 249.314 1.247 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303453 356593418 /nfs/dbraw/zinc/59/34/18/356593418.db2.gz CPYDEAGDVCKMBQ-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1CCO[C@@H]1C ZINC000639666664 356580865 /nfs/dbraw/zinc/58/08/65/356580865.db2.gz UFJRFOVZRLGRST-IVZWLZJFSA-N 1 2 237.290 1.359 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1CCO[C@@H]1C ZINC000639666664 356580868 /nfs/dbraw/zinc/58/08/68/356580868.db2.gz UFJRFOVZRLGRST-IVZWLZJFSA-N 1 2 237.290 1.359 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1CCO[C@@H]1C ZINC000639666659 356581398 /nfs/dbraw/zinc/58/13/98/356581398.db2.gz UFJRFOVZRLGRST-AEJSXWLSSA-N 1 2 237.290 1.359 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCO[C@@H]1C ZINC000639666659 356581401 /nfs/dbraw/zinc/58/14/01/356581401.db2.gz UFJRFOVZRLGRST-AEJSXWLSSA-N 1 2 237.290 1.359 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccno1 ZINC000639688127 356597295 /nfs/dbraw/zinc/59/72/95/356597295.db2.gz LPJADMQNXAWKRW-KXUCPTDWSA-N 1 2 237.303 1.114 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccno1 ZINC000639688127 356597300 /nfs/dbraw/zinc/59/73/00/356597300.db2.gz LPJADMQNXAWKRW-KXUCPTDWSA-N 1 2 237.303 1.114 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1COC[C@H]1OC ZINC000639694708 356603551 /nfs/dbraw/zinc/60/35/51/356603551.db2.gz YRNWTEGMPORSMP-HTQZYQBOSA-N 1 2 209.236 1.035 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](C)C1O ZINC000630091554 363508617 /nfs/dbraw/zinc/50/86/17/363508617.db2.gz AWARFENVOFARMX-NXEZZACHSA-N 1 2 236.315 1.027 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623308292 356616031 /nfs/dbraw/zinc/61/60/31/356616031.db2.gz YULFSQZJCMLRRR-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@]12COC[C@@H]1CN(c1cc(CO)cc[nH+]1)C2 ZINC000630093149 363521718 /nfs/dbraw/zinc/52/17/18/363521718.db2.gz MHYPUVKGHKFHOD-WCQYABFASA-N 1 2 234.299 1.047 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000630094584 363538192 /nfs/dbraw/zinc/53/81/92/363538192.db2.gz JDMRQJPRPOXHPY-PWSUYJOCSA-N 1 2 222.288 1.553 20 0 BDADLO CCC(F)(F)C[N@H+](C[C@H](C)O)C1CC1 ZINC000639752343 356644809 /nfs/dbraw/zinc/64/48/09/356644809.db2.gz ZRJBETCAMDUIEX-QMMMGPOBSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(F)(F)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000639752343 356644811 /nfs/dbraw/zinc/64/48/11/356644811.db2.gz ZRJBETCAMDUIEX-QMMMGPOBSA-N 1 2 207.264 1.877 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1csnn1 ZINC000450263626 202113588 /nfs/dbraw/zinc/11/35/88/202113588.db2.gz CTMRXLPPMFIJFV-JGVFFNPUSA-N 1 2 243.332 1.340 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1csnn1 ZINC000450263626 202113590 /nfs/dbraw/zinc/11/35/90/202113590.db2.gz CTMRXLPPMFIJFV-JGVFFNPUSA-N 1 2 243.332 1.340 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C2CC2)s1 ZINC000450283084 202118283 /nfs/dbraw/zinc/11/82/83/202118283.db2.gz IWQNEOPYNSSFGY-UHFFFAOYSA-N 1 2 241.360 1.884 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C2CC2)s1 ZINC000450283084 202118287 /nfs/dbraw/zinc/11/82/87/202118287.db2.gz IWQNEOPYNSSFGY-UHFFFAOYSA-N 1 2 241.360 1.884 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1ccoc1)S(C)(=O)=O ZINC000450282555 202118629 /nfs/dbraw/zinc/11/86/29/202118629.db2.gz GTEQNGKROHZSIF-VIFPVBQESA-N 1 2 231.317 1.145 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1ccoc1)S(C)(=O)=O ZINC000450282555 202118631 /nfs/dbraw/zinc/11/86/31/202118631.db2.gz GTEQNGKROHZSIF-VIFPVBQESA-N 1 2 231.317 1.145 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)[C@H](C)O1 ZINC000630094380 363537191 /nfs/dbraw/zinc/53/71/91/363537191.db2.gz GXGIPCMNEIKNEY-YWVKMMECSA-N 1 2 222.288 1.552 20 0 BDADLO Cc1occc1C[N@@H+](C)C[C@H](C)S(C)(=O)=O ZINC000450291660 202121247 /nfs/dbraw/zinc/12/12/47/202121247.db2.gz YBJICSGJFBGMPR-VIFPVBQESA-N 1 2 245.344 1.453 20 0 BDADLO Cc1occc1C[N@H+](C)C[C@H](C)S(C)(=O)=O ZINC000450291660 202121250 /nfs/dbraw/zinc/12/12/50/202121250.db2.gz YBJICSGJFBGMPR-VIFPVBQESA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccc(Cc2noc(-c3cc[nH]n3)n2)c[nH+]1 ZINC000350638054 366313037 /nfs/dbraw/zinc/31/30/37/366313037.db2.gz VEOWDCZISHGTQU-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO Cc1cc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)on1 ZINC000582246666 356677668 /nfs/dbraw/zinc/67/76/68/356677668.db2.gz LNJMAPKPYSQDAR-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC000450348085 202136673 /nfs/dbraw/zinc/13/66/73/202136673.db2.gz KYGFQSXTQFRDQU-BDAKNGLRSA-N 1 2 227.333 1.710 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC000450348085 202136677 /nfs/dbraw/zinc/13/66/77/202136677.db2.gz KYGFQSXTQFRDQU-BDAKNGLRSA-N 1 2 227.333 1.710 20 0 BDADLO C[C@@H](Nc1nncs1)C(C)(C)C[NH+](C)C ZINC000450349665 202137433 /nfs/dbraw/zinc/13/74/33/202137433.db2.gz PCSSHJGDAKWVKF-MRVPVSSYSA-N 1 2 228.365 1.348 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(C)C ZINC000040473571 356691776 /nfs/dbraw/zinc/69/17/76/356691776.db2.gz XNNCTPOPXGXKOV-QWRGUYRKSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(C)C ZINC000040473571 356691780 /nfs/dbraw/zinc/69/17/80/356691780.db2.gz XNNCTPOPXGXKOV-QWRGUYRKSA-N 1 2 228.336 1.010 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H](COC)C2)no1 ZINC000112987714 356701373 /nfs/dbraw/zinc/70/13/73/356701373.db2.gz HUPVJKFTAJANEV-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H](COC)C2)no1 ZINC000112987714 356701376 /nfs/dbraw/zinc/70/13/76/356701376.db2.gz HUPVJKFTAJANEV-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCC(=O)CCC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000450403816 202155328 /nfs/dbraw/zinc/15/53/28/202155328.db2.gz MKOVPLNAOSXMFR-JTQLQIEISA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CCC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000450403816 202155332 /nfs/dbraw/zinc/15/53/32/202155332.db2.gz MKOVPLNAOSXMFR-JTQLQIEISA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000450429380 202165266 /nfs/dbraw/zinc/16/52/66/202165266.db2.gz LLKNFSIGGBZHIX-BONVTDFDSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000450429380 202165270 /nfs/dbraw/zinc/16/52/70/202165270.db2.gz LLKNFSIGGBZHIX-BONVTDFDSA-N 1 2 231.361 1.199 20 0 BDADLO CC(C)[C@@H](C)NC(=O)COCc1[nH]cc[nH+]1 ZINC000180054592 366366696 /nfs/dbraw/zinc/36/66/96/366366696.db2.gz MNAPKZAVFGKAFP-SECBINFHSA-N 1 2 225.292 1.087 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CC(C)(C)CO1 ZINC000639783990 356736313 /nfs/dbraw/zinc/73/63/13/356736313.db2.gz UGWDKRAPFFGIBG-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CC(C)(C)CO1 ZINC000639783990 356736315 /nfs/dbraw/zinc/73/63/15/356736315.db2.gz UGWDKRAPFFGIBG-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CC(C)(C)CO1 ZINC000639783990 356736317 /nfs/dbraw/zinc/73/63/17/356736317.db2.gz UGWDKRAPFFGIBG-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CC(C)(C)CO1 ZINC000639783990 356736319 /nfs/dbraw/zinc/73/63/19/356736319.db2.gz UGWDKRAPFFGIBG-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CCc1nc(C[NH+]2CCC(C)CC2)no1 ZINC000054316315 363565408 /nfs/dbraw/zinc/56/54/08/363565408.db2.gz YQWZMWXQBSIWAZ-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO Cn1cc(C2=CCC[N@H+](Cc3cc[nH]n3)C2)cn1 ZINC000639795300 356751872 /nfs/dbraw/zinc/75/18/72/356751872.db2.gz JCABZJZMFIVEDB-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1cc(C2=CCC[N@@H+](Cc3cc[nH]n3)C2)cn1 ZINC000639795300 356751875 /nfs/dbraw/zinc/75/18/75/356751875.db2.gz JCABZJZMFIVEDB-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1ccc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC000350354559 538644237 /nfs/dbraw/zinc/64/42/37/538644237.db2.gz XAKGKWLLYRHJCR-UHFFFAOYSA-N 1 2 229.243 1.320 20 0 BDADLO CC[N@H+](Cc1noc(COC)n1)C1CCC1 ZINC000356246665 356791475 /nfs/dbraw/zinc/79/14/75/356791475.db2.gz WDMLDFFRUBTJKT-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO CC[N@@H+](Cc1noc(COC)n1)C1CCC1 ZINC000356246665 356791478 /nfs/dbraw/zinc/79/14/78/356791478.db2.gz WDMLDFFRUBTJKT-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO CCC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000450487775 202181295 /nfs/dbraw/zinc/18/12/95/202181295.db2.gz VYXJHEXDZYNGCE-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450487775 202181298 /nfs/dbraw/zinc/18/12/98/202181298.db2.gz VYXJHEXDZYNGCE-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000450487775 202181303 /nfs/dbraw/zinc/18/13/03/202181303.db2.gz VYXJHEXDZYNGCE-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000450487775 202181304 /nfs/dbraw/zinc/18/13/04/202181304.db2.gz VYXJHEXDZYNGCE-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2ccns2)C1=O ZINC000639809360 356782976 /nfs/dbraw/zinc/78/29/76/356782976.db2.gz SFBDZDUDAAIOMW-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000639809360 356782983 /nfs/dbraw/zinc/78/29/83/356782983.db2.gz SFBDZDUDAAIOMW-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639842768 356837120 /nfs/dbraw/zinc/83/71/20/356837120.db2.gz KCGJYTOHVUVBKU-LLVKDONJSA-N 1 2 248.330 1.092 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639842768 356837125 /nfs/dbraw/zinc/83/71/25/356837125.db2.gz KCGJYTOHVUVBKU-LLVKDONJSA-N 1 2 248.330 1.092 20 0 BDADLO COCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000041146486 356858822 /nfs/dbraw/zinc/85/88/22/356858822.db2.gz CLPYBVOYBTVDPE-UHFFFAOYSA-N 1 2 232.287 1.660 20 0 BDADLO CC[C@@H](O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000361098724 356917162 /nfs/dbraw/zinc/91/71/62/356917162.db2.gz UPIZMGVHCCBKOL-LLVKDONJSA-N 1 2 235.331 1.739 20 0 BDADLO CC[N@H+](Cc1c(Cl)cnn1C)[C@@H]1CCOC1 ZINC000361236443 356920735 /nfs/dbraw/zinc/92/07/35/356920735.db2.gz FJRIVZDZDAZYTI-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1c(Cl)cnn1C)[C@@H]1CCOC1 ZINC000361236443 356920739 /nfs/dbraw/zinc/92/07/39/356920739.db2.gz FJRIVZDZDAZYTI-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)C[C@@H](C)OC ZINC000361577145 356933619 /nfs/dbraw/zinc/93/36/19/356933619.db2.gz LLJRSFUZXJFZIX-MRVPVSSYSA-N 1 2 229.349 1.703 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)C[C@@H](C)OC ZINC000361577145 356933624 /nfs/dbraw/zinc/93/36/24/356933624.db2.gz LLJRSFUZXJFZIX-MRVPVSSYSA-N 1 2 229.349 1.703 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1nc(C2CCC2)no1 ZINC000580396997 356951920 /nfs/dbraw/zinc/95/19/20/356951920.db2.gz SRBZWDSTYJKUKQ-UHFFFAOYSA-N 1 2 247.302 1.707 20 0 BDADLO Cc1cc(NC(=O)N2CC3(C2)CCCO3)cc[nH+]1 ZINC000626467672 357004412 /nfs/dbraw/zinc/00/44/12/357004412.db2.gz BLAIPEKIMJTOED-UHFFFAOYSA-N 1 2 247.298 1.209 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)CCS1 ZINC000390587754 357102428 /nfs/dbraw/zinc/10/24/28/357102428.db2.gz RJJOPLMHXPVDEI-NEPJUHHUSA-N 1 2 246.420 1.126 20 0 BDADLO CC[C@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)CCS1 ZINC000390587754 357102432 /nfs/dbraw/zinc/10/24/32/357102432.db2.gz RJJOPLMHXPVDEI-NEPJUHHUSA-N 1 2 246.420 1.126 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000355253281 538791702 /nfs/dbraw/zinc/79/17/02/538791702.db2.gz MECYYNLKYZDGDJ-JQWIXIFHSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1ccc(CCC(=O)NCc2c[nH+]cn2C)o1 ZINC000355251293 538794216 /nfs/dbraw/zinc/79/42/16/538794216.db2.gz CQTNZGVAEGJEND-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC1 ZINC000389981941 357076603 /nfs/dbraw/zinc/07/66/03/357076603.db2.gz KUAWWZNCLVBSMQ-UWVGGRQHSA-N 1 2 247.285 1.963 20 0 BDADLO CCc1nc(C[N@@H+]2CC3CCC2CC3)n[nH]1 ZINC000372477963 357080125 /nfs/dbraw/zinc/08/01/25/357080125.db2.gz LYEHICRCPCGMJV-UHFFFAOYSA-N 1 2 220.320 1.742 20 0 BDADLO CCc1nc(C[N@H+]2CC3CCC2CC3)n[nH]1 ZINC000372477963 357080128 /nfs/dbraw/zinc/08/01/28/357080128.db2.gz LYEHICRCPCGMJV-UHFFFAOYSA-N 1 2 220.320 1.742 20 0 BDADLO Cc1ncsc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000354928428 538786302 /nfs/dbraw/zinc/78/63/02/538786302.db2.gz FFRGRZQPEIFWLG-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO Cc1ncsc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000354928428 538786308 /nfs/dbraw/zinc/78/63/08/538786308.db2.gz FFRGRZQPEIFWLG-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356149056 538805998 /nfs/dbraw/zinc/80/59/98/538805998.db2.gz UPWCURDNBRVGRX-ZETCQYMHSA-N 1 2 249.236 1.799 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356149056 538806002 /nfs/dbraw/zinc/80/60/02/538806002.db2.gz UPWCURDNBRVGRX-ZETCQYMHSA-N 1 2 249.236 1.799 20 0 BDADLO CCc1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)no1 ZINC000305235492 357188923 /nfs/dbraw/zinc/18/89/23/357188923.db2.gz NKOSTPOKZZVWMV-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)no1 ZINC000305235492 357188928 /nfs/dbraw/zinc/18/89/28/357188928.db2.gz NKOSTPOKZZVWMV-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO COc1ccc[nH+]c1NCC1(O)CCC1 ZINC000131283949 325134506 /nfs/dbraw/zinc/13/45/06/325134506.db2.gz JPJSEKKWWUSOPS-UHFFFAOYSA-N 1 2 208.261 1.417 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccnc1 ZINC000357301907 538826832 /nfs/dbraw/zinc/82/68/32/538826832.db2.gz LDVFDSUPFMZKLX-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccnc1 ZINC000357301907 538826835 /nfs/dbraw/zinc/82/68/35/538826835.db2.gz LDVFDSUPFMZKLX-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO Cc1cc(CNc2nc(C)[nH+]cc2C)no1 ZINC000584361160 357327390 /nfs/dbraw/zinc/32/73/90/357327390.db2.gz FJAXTNYICXNJRN-UHFFFAOYSA-N 1 2 218.260 1.424 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000582615427 357353274 /nfs/dbraw/zinc/35/32/74/357353274.db2.gz VYEATAOTGHYSHX-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000582615427 357353276 /nfs/dbraw/zinc/35/32/76/357353276.db2.gz VYEATAOTGHYSHX-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](CC3CC3)C2)[nH]1 ZINC000582799446 357399317 /nfs/dbraw/zinc/39/93/17/357399317.db2.gz PYPWNPWYGIZGQU-SECBINFHSA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@H](CC3CC3)C2)[nH]1 ZINC000582799446 357399318 /nfs/dbraw/zinc/39/93/18/357399318.db2.gz PYPWNPWYGIZGQU-SECBINFHSA-N 1 2 222.292 1.132 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000582885144 357429955 /nfs/dbraw/zinc/42/99/55/357429955.db2.gz ZECVEPOOIUIOEE-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cnn(C)c1C ZINC000582885144 357429959 /nfs/dbraw/zinc/42/99/59/357429959.db2.gz ZECVEPOOIUIOEE-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO FC(F)(F)C1C[NH+](CCn2cccn2)C1 ZINC000582931454 357432496 /nfs/dbraw/zinc/43/24/96/357432496.db2.gz VTCRDTDGUBXHQV-UHFFFAOYSA-N 1 2 219.210 1.377 20 0 BDADLO CCn1nccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639913377 357504878 /nfs/dbraw/zinc/50/48/78/357504878.db2.gz OCONKFVLFGSJGI-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO COc1ccc[nH+]c1NC[C@]1(C)CCOC1 ZINC000397139592 357505043 /nfs/dbraw/zinc/50/50/43/357505043.db2.gz COKMWFWOCLXARO-LBPRGKRZSA-N 1 2 222.288 1.929 20 0 BDADLO CC[N@H+](CC(=O)N(C)C1CC1)Cc1ccoc1 ZINC000102517394 357477288 /nfs/dbraw/zinc/47/72/88/357477288.db2.gz HNVILEJDMMAVDM-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C1CC1)Cc1ccoc1 ZINC000102517394 357477290 /nfs/dbraw/zinc/47/72/90/357477290.db2.gz HNVILEJDMMAVDM-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CC[C@](C)(O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583148338 357494361 /nfs/dbraw/zinc/49/43/61/357494361.db2.gz XMDLEQHVVNXEID-PWSUYJOCSA-N 1 2 239.319 1.111 20 0 BDADLO Cc1cccc(CCNc2ncncc2Cl)[nH+]1 ZINC000359817451 538858092 /nfs/dbraw/zinc/85/80/92/538858092.db2.gz LWTSLNUQBHFWPR-UHFFFAOYSA-N 1 2 248.717 1.910 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1 ZINC000188386997 357530038 /nfs/dbraw/zinc/53/00/38/357530038.db2.gz GNZSJUREPBGQSX-UHFFFAOYSA-N 1 2 229.283 1.991 20 0 BDADLO Cc1nc(NCCc2ccn(C)n2)cc[nH+]1 ZINC000230878133 357575966 /nfs/dbraw/zinc/57/59/66/357575966.db2.gz UENAKRYVGKKCCF-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO Cc1cc(NC(=O)NCC2(CCO)CC2)cc[nH+]1 ZINC000189256463 357625799 /nfs/dbraw/zinc/62/57/99/357625799.db2.gz MUFTZHDMKVYJEC-UHFFFAOYSA-N 1 2 249.314 1.674 20 0 BDADLO COc1cc(C)[nH+]c(CNCC(F)(F)CO)c1 ZINC000231776631 357628452 /nfs/dbraw/zinc/62/84/52/357628452.db2.gz NSEKFSXDGKMUDU-UHFFFAOYSA-N 1 2 246.257 1.116 20 0 BDADLO CCOC[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)C ZINC000232350544 357659878 /nfs/dbraw/zinc/65/98/78/357659878.db2.gz ZUAYAEFISOAVFO-NWDGAFQWSA-N 1 2 243.347 1.589 20 0 BDADLO COCC[N@H+](C)Cc1nc(CCC(C)C)no1 ZINC000063549921 357660990 /nfs/dbraw/zinc/66/09/90/357660990.db2.gz ILVSWQFLBYHTHL-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO COCC[N@@H+](C)Cc1nc(CCC(C)C)no1 ZINC000063549921 357660994 /nfs/dbraw/zinc/66/09/94/357660994.db2.gz ILVSWQFLBYHTHL-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000189725024 357665743 /nfs/dbraw/zinc/66/57/43/357665743.db2.gz YZDXVHSVNBTBKH-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](C)[C@@H]2CO)no1 ZINC000189725024 357665750 /nfs/dbraw/zinc/66/57/50/357665750.db2.gz YZDXVHSVNBTBKH-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCOC[C@H]([NH2+][C@H](C(=O)OC)C(C)C)C(C)C ZINC000189814995 357673330 /nfs/dbraw/zinc/67/33/30/357673330.db2.gz MZKHBUWMIYOJIF-RYUDHWBXSA-N 1 2 245.363 1.835 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000189388390 357635616 /nfs/dbraw/zinc/63/56/16/357635616.db2.gz QEPVXGONXXCUIX-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1ccc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000189388390 357635621 /nfs/dbraw/zinc/63/56/21/357635621.db2.gz QEPVXGONXXCUIX-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000232029987 357638828 /nfs/dbraw/zinc/63/88/28/357638828.db2.gz MWAVWXBNWPVQBM-PWSUYJOCSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000232029987 357638832 /nfs/dbraw/zinc/63/88/32/357638832.db2.gz MWAVWXBNWPVQBM-PWSUYJOCSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000190702349 357725512 /nfs/dbraw/zinc/72/55/12/357725512.db2.gz TVPFNHQVFRGCHC-SDDRHHMPSA-N 1 2 243.347 1.826 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000190702349 357725517 /nfs/dbraw/zinc/72/55/17/357725517.db2.gz TVPFNHQVFRGCHC-SDDRHHMPSA-N 1 2 243.347 1.826 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000190041681 357687491 /nfs/dbraw/zinc/68/74/91/357687491.db2.gz XQNGAQPQHKQEKK-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190041681 357687497 /nfs/dbraw/zinc/68/74/97/357687497.db2.gz XQNGAQPQHKQEKK-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1ncccn1 ZINC000192133008 357824217 /nfs/dbraw/zinc/82/42/17/357824217.db2.gz SHNSWEMGXJTPFG-UHFFFAOYSA-N 1 2 228.299 1.546 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1ncccn1 ZINC000192133008 357824220 /nfs/dbraw/zinc/82/42/20/357824220.db2.gz SHNSWEMGXJTPFG-UHFFFAOYSA-N 1 2 228.299 1.546 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)CCC=C(C)C)[C@@H](C)O ZINC000191966069 357807268 /nfs/dbraw/zinc/80/72/68/357807268.db2.gz OITDYOWAQMFPCI-TUAOUCFPSA-N 1 2 243.347 1.633 20 0 BDADLO COC1(CC(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000234597126 357813847 /nfs/dbraw/zinc/81/38/47/357813847.db2.gz NYRZWSNDZGPGOP-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cncs2)o1 ZINC000397961903 357815863 /nfs/dbraw/zinc/81/58/63/357815863.db2.gz VLEVFVCNAVFAFT-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000192805932 357855683 /nfs/dbraw/zinc/85/56/83/357855683.db2.gz AWVUNHKIXUSWSW-UHFFFAOYSA-N 1 2 236.319 1.512 20 0 BDADLO CN(C)c1noc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000192805932 357855687 /nfs/dbraw/zinc/85/56/87/357855687.db2.gz AWVUNHKIXUSWSW-UHFFFAOYSA-N 1 2 236.319 1.512 20 0 BDADLO COc1cccc2c1cc[nH+]c2N(C)CCO ZINC000234903800 357836756 /nfs/dbraw/zinc/83/67/56/357836756.db2.gz QFUFBGLQQMTDLK-UHFFFAOYSA-N 1 2 232.283 1.672 20 0 BDADLO COc1cccc2c1cc[nH+]c2N1CC[C@H](O)C1 ZINC000235024565 357845717 /nfs/dbraw/zinc/84/57/17/357845717.db2.gz NNEXWOJWRWVAJG-JTQLQIEISA-N 1 2 244.294 1.814 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1csnn1 ZINC000398231993 357868370 /nfs/dbraw/zinc/86/83/70/357868370.db2.gz JCDUHVRKBXITKN-INEUFUBQSA-N 1 2 241.238 1.112 20 0 BDADLO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)OC(C)(C)C ZINC000235639333 357926639 /nfs/dbraw/zinc/92/66/39/357926639.db2.gz ODGHUIWJIKUYNA-SKDRFNHKSA-N 1 2 229.320 1.485 20 0 BDADLO Cn1nncc1C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929893 357899452 /nfs/dbraw/zinc/89/94/52/357899452.db2.gz ROBIGOOCLCDOJW-GFCCVEGCSA-N 1 2 246.314 1.991 20 0 BDADLO Cn1nncc1C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929893 357899454 /nfs/dbraw/zinc/89/94/54/357899454.db2.gz ROBIGOOCLCDOJW-GFCCVEGCSA-N 1 2 246.314 1.991 20 0 BDADLO C[C@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CCO1 ZINC000235678419 357927908 /nfs/dbraw/zinc/92/79/08/357927908.db2.gz DGNFXKRTVQOLPV-BQBZGAKWSA-N 1 2 242.710 1.692 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)CCO1 ZINC000235678419 357927911 /nfs/dbraw/zinc/92/79/11/357927911.db2.gz DGNFXKRTVQOLPV-BQBZGAKWSA-N 1 2 242.710 1.692 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCCO1)C(C)C ZINC000035151184 357970837 /nfs/dbraw/zinc/97/08/37/357970837.db2.gz QPAMRGWUOZGHQU-WDEREUQCSA-N 1 2 229.320 1.343 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000583851099 357973221 /nfs/dbraw/zinc/97/32/21/357973221.db2.gz IZKAAIBGKCEBTG-UWVGGRQHSA-N 1 2 232.287 1.856 20 0 BDADLO C[N@H+](CCCS(C)(=O)=O)Cc1ccsc1 ZINC000103139147 357994431 /nfs/dbraw/zinc/99/44/31/357994431.db2.gz QOGVSHXQHOVTTE-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO C[N@@H+](CCCS(C)(=O)=O)Cc1ccsc1 ZINC000103139147 357994435 /nfs/dbraw/zinc/99/44/35/357994435.db2.gz QOGVSHXQHOVTTE-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC000584477939 357995821 /nfs/dbraw/zinc/99/58/21/357995821.db2.gz BUQJGPXKNREFLL-QMMMGPOBSA-N 1 2 245.286 1.500 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC000584477938 357995955 /nfs/dbraw/zinc/99/59/55/357995955.db2.gz BUQJGPXKNREFLL-MRVPVSSYSA-N 1 2 245.286 1.500 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640001865 358037294 /nfs/dbraw/zinc/03/72/94/358037294.db2.gz DXGWQYDMCRBZGH-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640001865 358037297 /nfs/dbraw/zinc/03/72/97/358037297.db2.gz DXGWQYDMCRBZGH-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)NC(C)C ZINC000639967562 358021201 /nfs/dbraw/zinc/02/12/01/358021201.db2.gz LAADMMWJYFYLHX-UHFFFAOYSA-N 1 2 238.335 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)NC(C)C ZINC000639967562 358021204 /nfs/dbraw/zinc/02/12/04/358021204.db2.gz LAADMMWJYFYLHX-UHFFFAOYSA-N 1 2 238.335 1.065 20 0 BDADLO Cc1noc(CCC[N@@H+](C)Cc2cn[nH]c2C)n1 ZINC000639970323 358022813 /nfs/dbraw/zinc/02/28/13/358022813.db2.gz MASSARYUBUIPNO-UHFFFAOYSA-N 1 2 249.318 1.474 20 0 BDADLO Cc1noc(CCC[N@H+](C)Cc2cn[nH]c2C)n1 ZINC000639970323 358022815 /nfs/dbraw/zinc/02/28/15/358022815.db2.gz MASSARYUBUIPNO-UHFFFAOYSA-N 1 2 249.318 1.474 20 0 BDADLO CCOC(=O)CC[NH2+]C1(C(=O)OC)CCCC1 ZINC000133702351 325310662 /nfs/dbraw/zinc/31/06/62/325310662.db2.gz XPARHOIGIXJRNU-UHFFFAOYSA-N 1 2 243.303 1.015 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOCC(F)F ZINC000639971840 358031150 /nfs/dbraw/zinc/03/11/50/358031150.db2.gz XSSIQZBPGXNYCH-UHFFFAOYSA-N 1 2 233.262 1.432 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOCC(F)F ZINC000639971840 358031155 /nfs/dbraw/zinc/03/11/55/358031155.db2.gz XSSIQZBPGXNYCH-UHFFFAOYSA-N 1 2 233.262 1.432 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccc(Cl)o1 ZINC000218226902 134252637 /nfs/dbraw/zinc/25/26/37/134252637.db2.gz HTMOEKRMQNNFOP-UHFFFAOYSA-N 1 2 240.694 1.834 20 0 BDADLO OCC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000051895060 358090097 /nfs/dbraw/zinc/09/00/97/358090097.db2.gz UACBKSKIVKHQCW-LLVKDONJSA-N 1 2 206.289 1.680 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000170768494 134253574 /nfs/dbraw/zinc/25/35/74/134253574.db2.gz SKPHGBVQCPGZOO-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCCO[C@H](C)C2)n1 ZINC000170768494 134253575 /nfs/dbraw/zinc/25/35/75/134253575.db2.gz SKPHGBVQCPGZOO-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000628459126 358093801 /nfs/dbraw/zinc/09/38/01/358093801.db2.gz LNIYBWFYPZEPSO-NSHDSACASA-N 1 2 239.294 1.345 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000628459126 358093802 /nfs/dbraw/zinc/09/38/02/358093802.db2.gz LNIYBWFYPZEPSO-NSHDSACASA-N 1 2 239.294 1.345 20 0 BDADLO CC[C@]1(O)CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC000640035641 358134826 /nfs/dbraw/zinc/13/48/26/358134826.db2.gz LZSICFVZPYLYDY-ONGXEEELSA-N 1 2 241.360 1.836 20 0 BDADLO CC[C@]1(O)CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC000640035641 358134830 /nfs/dbraw/zinc/13/48/30/358134830.db2.gz LZSICFVZPYLYDY-ONGXEEELSA-N 1 2 241.360 1.836 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC000640035640 358134902 /nfs/dbraw/zinc/13/49/02/358134902.db2.gz LZSICFVZPYLYDY-MWLCHTKSSA-N 1 2 241.360 1.836 20 0 BDADLO CC[C@@]1(O)CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC000640035640 358134906 /nfs/dbraw/zinc/13/49/06/358134906.db2.gz LZSICFVZPYLYDY-MWLCHTKSSA-N 1 2 241.360 1.836 20 0 BDADLO CCC[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584628118 358115870 /nfs/dbraw/zinc/11/58/70/358115870.db2.gz NMIHBLQSAMVPRR-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO CN(C)c1noc(C[NH+]2CCC(C)(F)CC2)n1 ZINC000640070820 358157559 /nfs/dbraw/zinc/15/75/59/358157559.db2.gz DMBRYFKBJTTXPQ-UHFFFAOYSA-N 1 2 242.298 1.460 20 0 BDADLO CC1(F)CC[NH+](Cc2nccc(N)n2)CC1 ZINC000640070729 358157628 /nfs/dbraw/zinc/15/76/28/358157628.db2.gz ALSAMESPQJPVEI-UHFFFAOYSA-N 1 2 224.283 1.213 20 0 BDADLO CC(C)c1nc(NC[C@@H](C)CCCO)cc[nH+]1 ZINC000450625118 202214705 /nfs/dbraw/zinc/21/47/05/202214705.db2.gz DUQSUKYVGYAALZ-NSHDSACASA-N 1 2 237.347 1.842 20 0 BDADLO CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)OC ZINC000584784139 358177542 /nfs/dbraw/zinc/17/75/42/358177542.db2.gz MAGNTRZKRCFUNK-WDEREUQCSA-N 1 2 239.319 1.375 20 0 BDADLO CCc1oc(CNc2c[nH]c[nH+]2)cc1C(=O)OC ZINC000584812846 358184299 /nfs/dbraw/zinc/18/42/99/358184299.db2.gz RJBABOFHZVDTII-UHFFFAOYSA-N 1 2 249.270 1.964 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000450634873 202220573 /nfs/dbraw/zinc/22/05/73/202220573.db2.gz IFHRIMLKMGNNQJ-IUCAKERBSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000450634873 202220576 /nfs/dbraw/zinc/22/05/76/202220576.db2.gz IFHRIMLKMGNNQJ-IUCAKERBSA-N 1 2 241.360 1.617 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCCCCO2)CCO1 ZINC000640122482 358201766 /nfs/dbraw/zinc/20/17/66/358201766.db2.gz MOZOHSAGZIHLFT-GFCCVEGCSA-N 1 2 228.336 1.125 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCCCCO2)CCO1 ZINC000640122482 358201769 /nfs/dbraw/zinc/20/17/69/358201769.db2.gz MOZOHSAGZIHLFT-GFCCVEGCSA-N 1 2 228.336 1.125 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCCCCO2)CCO1 ZINC000640122484 358201954 /nfs/dbraw/zinc/20/19/54/358201954.db2.gz MOZOHSAGZIHLFT-LBPRGKRZSA-N 1 2 228.336 1.125 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCCCCO2)CCO1 ZINC000640122484 358201958 /nfs/dbraw/zinc/20/19/58/358201958.db2.gz MOZOHSAGZIHLFT-LBPRGKRZSA-N 1 2 228.336 1.125 20 0 BDADLO CC[C@@](C)([NH2+]CCC[C@H](C)O)C(=O)OC ZINC000450659473 202227974 /nfs/dbraw/zinc/22/79/74/202227974.db2.gz QRBYNTJQUCAMFY-GXSJLCMTSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(C)COC1 ZINC000640128162 358206357 /nfs/dbraw/zinc/20/63/57/358206357.db2.gz JZLZHLGMENBNFE-UHFFFAOYSA-N 1 2 235.287 1.609 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@@H](CO)C1 ZINC000640128564 358207181 /nfs/dbraw/zinc/20/71/81/358207181.db2.gz MWMHFMDEXNENIC-PHIMTYICSA-N 1 2 249.314 1.591 20 0 BDADLO C[C@@H]1C[C@H](c2noc(Cn3cc[nH+]c3)n2)CCO1 ZINC000584872940 358208014 /nfs/dbraw/zinc/20/80/14/358208014.db2.gz GVIHLBHVQVLNHW-NXEZZACHSA-N 1 2 248.286 1.597 20 0 BDADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CC=C(C)C ZINC000610829084 358211393 /nfs/dbraw/zinc/21/13/93/358211393.db2.gz RRXZWRDUERFXTQ-LBPRGKRZSA-N 1 2 243.347 1.851 20 0 BDADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CC=C(C)C ZINC000610829084 358211397 /nfs/dbraw/zinc/21/13/97/358211397.db2.gz RRXZWRDUERFXTQ-LBPRGKRZSA-N 1 2 243.347 1.851 20 0 BDADLO NC(=O)c1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000337296013 181296191 /nfs/dbraw/zinc/29/61/91/181296191.db2.gz NXQALKZMNILSBU-UHFFFAOYSA-N 1 2 240.253 1.673 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1=CCCC1 ZINC000547483046 325361442 /nfs/dbraw/zinc/36/14/42/325361442.db2.gz PVZSGFXAGQMZDK-UHFFFAOYSA-N 1 2 219.288 1.189 20 0 BDADLO CC/C=C\CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000450697308 202237503 /nfs/dbraw/zinc/23/75/03/202237503.db2.gz UQBLOBMIGUULNE-ARJAWSKDSA-N 1 2 248.330 1.691 20 0 BDADLO CC/C=C\CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000450697308 202237506 /nfs/dbraw/zinc/23/75/06/202237506.db2.gz UQBLOBMIGUULNE-ARJAWSKDSA-N 1 2 248.330 1.691 20 0 BDADLO CC(=O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640136019 358222675 /nfs/dbraw/zinc/22/26/75/358222675.db2.gz MATQNPVSOSSVPK-UHFFFAOYSA-N 1 2 236.290 1.537 20 0 BDADLO CCc1noc(C)c1C[NH+]1CCN(C2CC2)CC1 ZINC000163171628 202244601 /nfs/dbraw/zinc/24/46/01/202244601.db2.gz BWHXJEQTBVLLFF-UHFFFAOYSA-N 1 2 249.358 1.825 20 0 BDADLO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000225801390 358313098 /nfs/dbraw/zinc/31/30/98/358313098.db2.gz GNRQLLLQVPQTBK-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO c1sc([C@H]2COCC[NH2+]2)nc1-c1cnccn1 ZINC000226469227 358340317 /nfs/dbraw/zinc/34/03/17/358340317.db2.gz SWTHVNJBYQQECE-SECBINFHSA-N 1 2 248.311 1.261 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H]1C ZINC000134834543 325378257 /nfs/dbraw/zinc/37/82/57/325378257.db2.gz ROGNREMJPMSCFO-SSDOTTSWSA-N 1 2 208.265 1.056 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H]1C ZINC000134834543 325378259 /nfs/dbraw/zinc/37/82/59/325378259.db2.gz ROGNREMJPMSCFO-SSDOTTSWSA-N 1 2 208.265 1.056 20 0 BDADLO O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1cc[nH+]c1 ZINC000229212760 358365904 /nfs/dbraw/zinc/36/59/04/358365904.db2.gz RHTBWZCWNHEQJG-UTUOFQBUSA-N 1 2 249.314 1.068 20 0 BDADLO O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1cc[nH+]c1 ZINC000229212760 358365905 /nfs/dbraw/zinc/36/59/05/358365905.db2.gz RHTBWZCWNHEQJG-UTUOFQBUSA-N 1 2 249.314 1.068 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@H](C)C1 ZINC000230611978 358408500 /nfs/dbraw/zinc/40/85/00/358408500.db2.gz GXMMZZSAQCYNDE-DTWKUNHWSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@H](C)C1 ZINC000230611978 358408504 /nfs/dbraw/zinc/40/85/04/358408504.db2.gz GXMMZZSAQCYNDE-DTWKUNHWSA-N 1 2 236.319 1.916 20 0 BDADLO C[NH+](C)Cc1nc(CC2CC(F)(F)C2)no1 ZINC000351167518 366436674 /nfs/dbraw/zinc/43/66/74/366436674.db2.gz NEKUDSHDTPXTDU-UHFFFAOYSA-N 1 2 231.246 1.719 20 0 BDADLO NC(=O)c1cccc(C[NH2+]Cc2ccno2)c1 ZINC000230972977 358413296 /nfs/dbraw/zinc/41/32/96/358413296.db2.gz GPSKADSCVBRRGQ-UHFFFAOYSA-N 1 2 231.255 1.063 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(F)c1 ZINC000042512008 358525604 /nfs/dbraw/zinc/52/56/04/358525604.db2.gz GIGYEGAGNBKHKF-JTQLQIEISA-N 1 2 247.273 1.841 20 0 BDADLO CCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130165630 358611725 /nfs/dbraw/zinc/61/17/25/358611725.db2.gz YEGIGXCQMFQZQI-SNVBAGLBSA-N 1 2 221.304 1.362 20 0 BDADLO CC(C)Cc1noc(C[N@H+](CCO)C2CC2)n1 ZINC000048065305 358613014 /nfs/dbraw/zinc/61/30/14/358613014.db2.gz AZYVGFJUVTXWFB-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000048065305 358613019 /nfs/dbraw/zinc/61/30/19/358613019.db2.gz AZYVGFJUVTXWFB-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc([C@H](C)OC)no1 ZINC000175170037 134285658 /nfs/dbraw/zinc/28/56/58/134285658.db2.gz HKLUFUKALIVASZ-QMMMGPOBSA-N 1 2 243.307 1.292 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000130882918 358650967 /nfs/dbraw/zinc/65/09/67/358650967.db2.gz VNMPYWPTGPUMBV-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000130882918 358650969 /nfs/dbraw/zinc/65/09/69/358650969.db2.gz VNMPYWPTGPUMBV-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@H](C)O)o1 ZINC000131288871 358668010 /nfs/dbraw/zinc/66/80/10/358668010.db2.gz VFRLSOREBHOOHJ-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@H](C)O)o1 ZINC000131288871 358668013 /nfs/dbraw/zinc/66/80/13/358668013.db2.gz VFRLSOREBHOOHJ-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO Cc1nc(NCCn2cnnc2C2CC2)cc[nH+]1 ZINC000131367644 358672315 /nfs/dbraw/zinc/67/23/15/358672315.db2.gz KFEMMASKVZHGPX-UHFFFAOYSA-N 1 2 244.302 1.366 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000049573492 358695376 /nfs/dbraw/zinc/69/53/76/358695376.db2.gz ZDFCSGDVCIBEIP-LBPRGKRZSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000049573492 358695377 /nfs/dbraw/zinc/69/53/77/358695377.db2.gz ZDFCSGDVCIBEIP-LBPRGKRZSA-N 1 2 241.331 1.583 20 0 BDADLO CCc1cc(NCCC[C@H](O)CC)nc[nH+]1 ZINC000390624351 358729295 /nfs/dbraw/zinc/72/92/95/358729295.db2.gz JKMGEESAEKKLKF-LLVKDONJSA-N 1 2 223.320 1.424 20 0 BDADLO CN1CCOc2ccc(NCc3[nH]cc[nH+]3)cc21 ZINC000132948564 358740427 /nfs/dbraw/zinc/74/04/27/358740427.db2.gz FMSPOFOUDFPWFN-UHFFFAOYSA-N 1 2 244.298 1.850 20 0 BDADLO c1nnc(NCc2cn3ccccc3[nH+]2)s1 ZINC000134423055 358789783 /nfs/dbraw/zinc/78/97/83/358789783.db2.gz WVUJFHAUNASLKQ-UHFFFAOYSA-N 1 2 231.284 1.798 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+]C1(CO)CCCC1 ZINC000053069510 358808290 /nfs/dbraw/zinc/80/82/90/358808290.db2.gz NPKILKLPNGWZHS-UHFFFAOYSA-N 1 2 229.320 1.223 20 0 BDADLO CNC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000135408363 358837299 /nfs/dbraw/zinc/83/72/99/358837299.db2.gz CFCBCSFMYDYPGT-UHFFFAOYSA-N 1 2 208.252 1.098 20 0 BDADLO CNC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000135408363 358837304 /nfs/dbraw/zinc/83/73/04/358837304.db2.gz CFCBCSFMYDYPGT-UHFFFAOYSA-N 1 2 208.252 1.098 20 0 BDADLO CCc1noc(C)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000135486414 358840518 /nfs/dbraw/zinc/84/05/18/358840518.db2.gz FKEVKEVQXPPNRO-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO CN(C[C@H]1CCOC1)c1cc(NC2CC2)[nH+]cn1 ZINC000578302369 366477214 /nfs/dbraw/zinc/47/72/14/366477214.db2.gz PTHZAEIPPHVGJH-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO CN(C[C@H]1CCOC1)c1cc(NC2CC2)nc[nH+]1 ZINC000578302369 366477216 /nfs/dbraw/zinc/47/72/16/366477216.db2.gz PTHZAEIPPHVGJH-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO O=C1CC[N@H+](Cc2cccc(F)c2F)CCN1 ZINC000054867877 358877635 /nfs/dbraw/zinc/87/76/35/358877635.db2.gz RXXCSPDLTUHJDU-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO O=C1CC[N@@H+](Cc2cccc(F)c2F)CCN1 ZINC000054867877 358877641 /nfs/dbraw/zinc/87/76/41/358877641.db2.gz RXXCSPDLTUHJDU-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCCn3nccc32)nc1 ZINC000640219672 358888913 /nfs/dbraw/zinc/88/89/13/358888913.db2.gz GFQQIIONTMJPPG-NSHDSACASA-N 1 2 243.314 1.606 20 0 BDADLO CC[C@H](NC(=O)c1ncccc1C)c1[nH]cc[nH+]1 ZINC000140583995 358923728 /nfs/dbraw/zinc/92/37/28/358923728.db2.gz DRALGPNSKMSBNK-JTQLQIEISA-N 1 2 244.298 1.994 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)n1cccn1)c1[nH]cc[nH+]1 ZINC000140635804 358923884 /nfs/dbraw/zinc/92/38/84/358923884.db2.gz HWOGXMUUSOKOEE-NXEZZACHSA-N 1 2 247.302 1.435 20 0 BDADLO CCOCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000140724896 358925740 /nfs/dbraw/zinc/92/57/40/358925740.db2.gz WNIOHAFGIKENFO-JTQLQIEISA-N 1 2 239.319 1.794 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1C[C@@H](O)C1 ZINC000626559745 358953778 /nfs/dbraw/zinc/95/37/78/358953778.db2.gz NYCHANNAJDAXTE-PHIMTYICSA-N 1 2 249.314 1.591 20 0 BDADLO NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000069974268 359036274 /nfs/dbraw/zinc/03/62/74/359036274.db2.gz ZJCVUICHURMUJA-NSHDSACASA-N 1 2 236.340 1.262 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070107 359040225 /nfs/dbraw/zinc/04/02/25/359040225.db2.gz INKBVMHPNQLEPU-LLVKDONJSA-N 1 2 229.283 1.643 20 0 BDADLO COc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990081 359068844 /nfs/dbraw/zinc/06/88/44/359068844.db2.gz VFSONDUQXRPNCU-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2nccn2C)cn1 ZINC000071273457 359075776 /nfs/dbraw/zinc/07/57/76/359075776.db2.gz JHQWVBAAYRRHSR-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1cc[nH+]cc1C ZINC000070650519 359060430 /nfs/dbraw/zinc/06/04/30/359060430.db2.gz SYJBNWGKKPEBQF-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246521429 359143857 /nfs/dbraw/zinc/14/38/57/359143857.db2.gz PHMPICPKEAHUOB-RISCZKNCSA-N 1 2 248.326 1.108 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246521429 359143862 /nfs/dbraw/zinc/14/38/62/359143862.db2.gz PHMPICPKEAHUOB-RISCZKNCSA-N 1 2 248.326 1.108 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H](C)O1 ZINC000247555853 359234042 /nfs/dbraw/zinc/23/40/42/359234042.db2.gz QTZOYYZDPKWXDF-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H](C)O1 ZINC000247555853 359234043 /nfs/dbraw/zinc/23/40/43/359234043.db2.gz QTZOYYZDPKWXDF-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248039408 359253482 /nfs/dbraw/zinc/25/34/82/359253482.db2.gz VJWLRURXGKXOOT-UHFFFAOYSA-N 1 2 229.283 1.964 20 0 BDADLO CC[N@@H+]1CCC[C@H]1CNCc1[nH]ncc1C ZINC000290077453 359370291 /nfs/dbraw/zinc/37/02/91/359370291.db2.gz YTVIYYXGTWJXDJ-NSHDSACASA-N 1 2 222.336 1.292 20 0 BDADLO CC[N@H+]1CCC[C@H]1CNCc1[nH]ncc1C ZINC000290077453 359370294 /nfs/dbraw/zinc/37/02/94/359370294.db2.gz YTVIYYXGTWJXDJ-NSHDSACASA-N 1 2 222.336 1.292 20 0 BDADLO CCN1CCC[C@H]1C[NH2+]Cc1n[nH]cc1C ZINC000290077453 359370300 /nfs/dbraw/zinc/37/03/00/359370300.db2.gz YTVIYYXGTWJXDJ-NSHDSACASA-N 1 2 222.336 1.292 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611648773 359408555 /nfs/dbraw/zinc/40/85/55/359408555.db2.gz GGPNSOABVZOHLS-NXEZZACHSA-N 1 2 233.315 1.526 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611648773 359408557 /nfs/dbraw/zinc/40/85/57/359408557.db2.gz GGPNSOABVZOHLS-NXEZZACHSA-N 1 2 233.315 1.526 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000611651217 359410338 /nfs/dbraw/zinc/41/03/38/359410338.db2.gz OOIOFSUOFHOIDF-GMTAPVOTSA-N 1 2 247.342 1.629 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000611651217 359410344 /nfs/dbraw/zinc/41/03/44/359410344.db2.gz OOIOFSUOFHOIDF-GMTAPVOTSA-N 1 2 247.342 1.629 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)c1ccncc1)C1CC1 ZINC000611614327 359400533 /nfs/dbraw/zinc/40/05/33/359400533.db2.gz JVHZHKOUXNIQKS-GXFFZTMASA-N 1 2 248.326 1.726 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1CC1 ZINC000611614328 359401334 /nfs/dbraw/zinc/40/13/34/359401334.db2.gz JVHZHKOUXNIQKS-MFKMUULPSA-N 1 2 248.326 1.726 20 0 BDADLO CCSCC[N@H+](CC(=O)OC)C1CC1 ZINC000079499618 359447259 /nfs/dbraw/zinc/44/72/59/359447259.db2.gz LKOKNVIDYMBKIZ-UHFFFAOYSA-N 1 2 217.334 1.377 20 0 BDADLO CCSCC[N@@H+](CC(=O)OC)C1CC1 ZINC000079499618 359447261 /nfs/dbraw/zinc/44/72/61/359447261.db2.gz LKOKNVIDYMBKIZ-UHFFFAOYSA-N 1 2 217.334 1.377 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000580464893 359569870 /nfs/dbraw/zinc/56/98/70/359569870.db2.gz ZVHKIZSKYUUXFM-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCO1 ZINC000613840348 363663805 /nfs/dbraw/zinc/66/38/05/363663805.db2.gz NQQGPFMXOKSUNE-NXEZZACHSA-N 1 2 235.287 1.078 20 0 BDADLO COc1cccc(CNc2c[nH]c[nH+]2)n1 ZINC000309046758 491143421 /nfs/dbraw/zinc/14/34/21/491143421.db2.gz PBYOLOCAIHWXFJ-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO COC[C@@]1(C)C[N@H+](CC2(F)CC2)CCO1 ZINC000628496951 359702156 /nfs/dbraw/zinc/70/21/56/359702156.db2.gz CJLBRCMPDFMWLU-SNVBAGLBSA-N 1 2 217.284 1.226 20 0 BDADLO COC[C@@]1(C)C[N@@H+](CC2(F)CC2)CCO1 ZINC000628496951 359702160 /nfs/dbraw/zinc/70/21/60/359702160.db2.gz CJLBRCMPDFMWLU-SNVBAGLBSA-N 1 2 217.284 1.226 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2csnn2)CC[C@@H]1C ZINC000450832329 202280373 /nfs/dbraw/zinc/28/03/73/202280373.db2.gz VKHJSRQJEPIUGY-IQJOONFLSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2csnn2)CC[C@@H]1C ZINC000450832329 202280376 /nfs/dbraw/zinc/28/03/76/202280376.db2.gz VKHJSRQJEPIUGY-IQJOONFLSA-N 1 2 241.360 1.956 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612185985 359730545 /nfs/dbraw/zinc/73/05/45/359730545.db2.gz BCSKVLYRFQTEOX-WDEREUQCSA-N 1 2 247.342 1.773 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612185985 359730548 /nfs/dbraw/zinc/73/05/48/359730548.db2.gz BCSKVLYRFQTEOX-WDEREUQCSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1ccc(NC(=O)[C@H](O)C2CC2)c(C)[nH+]1 ZINC000612226116 359740865 /nfs/dbraw/zinc/74/08/65/359740865.db2.gz HCPBGRRWYIZNAC-LLVKDONJSA-N 1 2 220.272 1.408 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CC(=O)N(C2CC2)C1 ZINC000450887532 202298506 /nfs/dbraw/zinc/29/85/06/202298506.db2.gz ZKGYCGOKZLSQNZ-SNVBAGLBSA-N 1 2 210.321 1.685 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CC(=O)N(C2CC2)C1 ZINC000450887532 202298508 /nfs/dbraw/zinc/29/85/08/202298508.db2.gz ZKGYCGOKZLSQNZ-SNVBAGLBSA-N 1 2 210.321 1.685 20 0 BDADLO CC(C)c1nc(N2C[C@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000450939060 202313989 /nfs/dbraw/zinc/31/39/89/202313989.db2.gz JPHKCSDNHFSPOV-MNOVXSKESA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)[N@H+](Cc1cnns1)[C@@H]1CCOC1 ZINC000451050208 202339364 /nfs/dbraw/zinc/33/93/64/202339364.db2.gz NLQOMNWBSGRDSB-SECBINFHSA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)[N@@H+](Cc1cnns1)[C@@H]1CCOC1 ZINC000451050208 202339366 /nfs/dbraw/zinc/33/93/66/202339366.db2.gz NLQOMNWBSGRDSB-SECBINFHSA-N 1 2 227.333 1.537 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1c[nH]c2nccnc12 ZINC000578474718 366576511 /nfs/dbraw/zinc/57/65/11/366576511.db2.gz AYTCDNSPPJRNAR-UHFFFAOYSA-N 1 2 242.286 1.265 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1c[nH]c2nccnc12 ZINC000578474718 366576517 /nfs/dbraw/zinc/57/65/17/366576517.db2.gz AYTCDNSPPJRNAR-UHFFFAOYSA-N 1 2 242.286 1.265 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000451075115 202350056 /nfs/dbraw/zinc/35/00/56/202350056.db2.gz ZXTNYRNYEWERNJ-JGVFFNPUSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1csc(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000451075115 202350060 /nfs/dbraw/zinc/35/00/60/202350060.db2.gz ZXTNYRNYEWERNJ-JGVFFNPUSA-N 1 2 240.328 1.770 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1ccco1 ZINC000578522080 366589315 /nfs/dbraw/zinc/58/93/15/366589315.db2.gz ADKFNNHWSSLGFA-UHFFFAOYSA-N 1 2 217.272 1.763 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000451064298 202343282 /nfs/dbraw/zinc/34/32/82/202343282.db2.gz IARCLISKJPZVIW-LBPRGKRZSA-N 1 2 220.320 1.672 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000451064298 202343284 /nfs/dbraw/zinc/34/32/84/202343284.db2.gz IARCLISKJPZVIW-LBPRGKRZSA-N 1 2 220.320 1.672 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000451071887 202346566 /nfs/dbraw/zinc/34/65/66/202346566.db2.gz MYFJNTLVJGQKAW-VHSXEESVSA-N 1 2 220.320 1.528 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000451071887 202346570 /nfs/dbraw/zinc/34/65/70/202346570.db2.gz MYFJNTLVJGQKAW-VHSXEESVSA-N 1 2 220.320 1.528 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451190896 202373694 /nfs/dbraw/zinc/37/36/94/202373694.db2.gz QRDHWFISJJVJAZ-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451190896 202373697 /nfs/dbraw/zinc/37/36/97/202373697.db2.gz QRDHWFISJJVJAZ-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451191371 202376167 /nfs/dbraw/zinc/37/61/67/202376167.db2.gz REENQEPGBQMCKP-HBNTYKKESA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451191371 202376170 /nfs/dbraw/zinc/37/61/70/202376170.db2.gz REENQEPGBQMCKP-HBNTYKKESA-N 1 2 230.327 1.724 20 0 BDADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](F)C1)C(C)C ZINC000451202863 202377859 /nfs/dbraw/zinc/37/78/59/202377859.db2.gz XVFGIIZTWUFLTP-LBPRGKRZSA-N 1 2 244.354 1.923 20 0 BDADLO CC(C)CN(C(=O)C[N@H+]1CC[C@H](F)C1)C(C)C ZINC000451202863 202377861 /nfs/dbraw/zinc/37/78/61/202377861.db2.gz XVFGIIZTWUFLTP-LBPRGKRZSA-N 1 2 244.354 1.923 20 0 BDADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](F)C1)C(C)C ZINC000451202862 202378869 /nfs/dbraw/zinc/37/88/69/202378869.db2.gz XVFGIIZTWUFLTP-GFCCVEGCSA-N 1 2 244.354 1.923 20 0 BDADLO CC(C)CN(C(=O)C[N@H+]1CC[C@@H](F)C1)C(C)C ZINC000451202862 202378870 /nfs/dbraw/zinc/37/88/70/202378870.db2.gz XVFGIIZTWUFLTP-GFCCVEGCSA-N 1 2 244.354 1.923 20 0 BDADLO F[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000451179409 202371005 /nfs/dbraw/zinc/37/10/05/202371005.db2.gz AOIZHPHUZUNZKX-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO F[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000451179409 202371008 /nfs/dbraw/zinc/37/10/08/202371008.db2.gz AOIZHPHUZUNZKX-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO CC[N@H+](Cc1ccc(OC)cn1)C1COC1 ZINC000451285743 202394668 /nfs/dbraw/zinc/39/46/68/202394668.db2.gz MFZOTGXYNLVYHY-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@@H+](Cc1ccc(OC)cn1)C1COC1 ZINC000451285743 202394671 /nfs/dbraw/zinc/39/46/71/202394671.db2.gz MFZOTGXYNLVYHY-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c[nH+]1 ZINC000578663044 366623196 /nfs/dbraw/zinc/62/31/96/366623196.db2.gz KHSSNVRUMYQYEM-WDEREUQCSA-N 1 2 231.299 1.869 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CC(C)(C)CO)no1 ZINC000451252402 202389160 /nfs/dbraw/zinc/38/91/60/202389160.db2.gz XQWVCGWNDHUQAW-UHFFFAOYSA-N 1 2 241.335 1.643 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CC(C)(C)CO)no1 ZINC000451252402 202389161 /nfs/dbraw/zinc/38/91/61/202389161.db2.gz XQWVCGWNDHUQAW-UHFFFAOYSA-N 1 2 241.335 1.643 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000578879644 366665787 /nfs/dbraw/zinc/66/57/87/366665787.db2.gz YKINMRRGXJPRQG-VIFPVBQESA-N 1 2 246.314 1.984 20 0 BDADLO Cc1occc1C[N@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000578879644 366665792 /nfs/dbraw/zinc/66/57/92/366665792.db2.gz YKINMRRGXJPRQG-VIFPVBQESA-N 1 2 246.314 1.984 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccn(C)c2)n1 ZINC000578881556 366666552 /nfs/dbraw/zinc/66/65/52/366666552.db2.gz DBLYHXPJLGMVCH-VIFPVBQESA-N 1 2 234.303 1.910 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccn(C)c2)n1 ZINC000578881556 366666557 /nfs/dbraw/zinc/66/65/57/366666557.db2.gz DBLYHXPJLGMVCH-VIFPVBQESA-N 1 2 234.303 1.910 20 0 BDADLO CCn1ccnc1C[N@H+](C)CCOCC1CC1 ZINC000088599047 359969153 /nfs/dbraw/zinc/96/91/53/359969153.db2.gz VIGQKDRYXYRGNA-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CCOCC1CC1 ZINC000088599047 359969158 /nfs/dbraw/zinc/96/91/58/359969158.db2.gz VIGQKDRYXYRGNA-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1F ZINC000088750960 359975932 /nfs/dbraw/zinc/97/59/32/359975932.db2.gz WNUHRHLHHBUMGL-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1F ZINC000088750960 359975937 /nfs/dbraw/zinc/97/59/37/359975937.db2.gz WNUHRHLHHBUMGL-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CCOc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753164 359976044 /nfs/dbraw/zinc/97/60/44/359976044.db2.gz BIKZKQRUZDJLBV-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO CCOc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753164 359976047 /nfs/dbraw/zinc/97/60/47/359976047.db2.gz BIKZKQRUZDJLBV-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO O=C(Cc1cccc(Cl)c1)NCc1c[nH+]c[nH]1 ZINC000088759268 359977549 /nfs/dbraw/zinc/97/75/49/359977549.db2.gz VRDCWMFZMOBCGY-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO O=C(Cc1cccc(Cl)c1)NCc1c[nH]c[nH+]1 ZINC000088759268 359977550 /nfs/dbraw/zinc/97/75/50/359977550.db2.gz VRDCWMFZMOBCGY-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO COC(=O)[C@@H](C1CC1)[NH+]1Cc2ccccc2C1 ZINC000088796353 359979402 /nfs/dbraw/zinc/97/94/02/359979402.db2.gz VYOJOUGVGCTHTF-CYBMUJFWSA-N 1 2 231.295 1.954 20 0 BDADLO C[C@H](C(=O)NC1CC1)[NH+]1CC(C(F)(F)F)C1 ZINC000578843956 366656912 /nfs/dbraw/zinc/65/69/12/366656912.db2.gz AHGAIQSHGHCPNU-ZCFIWIBFSA-N 1 2 236.237 1.148 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000088796322 359979688 /nfs/dbraw/zinc/97/96/88/359979688.db2.gz HLJOXJUXQHCTMB-KOLCDFICSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000088796322 359979689 /nfs/dbraw/zinc/97/96/89/359979689.db2.gz HLJOXJUXQHCTMB-KOLCDFICSA-N 1 2 241.331 1.437 20 0 BDADLO CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1COC1 ZINC000578846846 366657197 /nfs/dbraw/zinc/65/71/97/366657197.db2.gz JDNPYYSIVWUWLL-JTQLQIEISA-N 1 2 249.314 1.077 20 0 BDADLO O=C(CCCF)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612696322 360012395 /nfs/dbraw/zinc/01/23/95/360012395.db2.gz OGMOLWGPTLOKOX-QMMMGPOBSA-N 1 2 225.267 1.133 20 0 BDADLO O=C(CCCF)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612696322 360012397 /nfs/dbraw/zinc/01/23/97/360012397.db2.gz OGMOLWGPTLOKOX-QMMMGPOBSA-N 1 2 225.267 1.133 20 0 BDADLO COC(=O)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000090165274 360060468 /nfs/dbraw/zinc/06/04/68/360060468.db2.gz RWUQUAQLTZXEQI-UHFFFAOYSA-N 1 2 245.282 1.819 20 0 BDADLO CC[N@@H+](CC(C)=O)C[C@H]1COc2ccccc2O1 ZINC000612912972 360183109 /nfs/dbraw/zinc/18/31/09/360183109.db2.gz CTIVRRZDWPWZEK-LBPRGKRZSA-N 1 2 249.310 1.737 20 0 BDADLO CC[N@H+](CC(C)=O)C[C@H]1COc2ccccc2O1 ZINC000612912972 360183113 /nfs/dbraw/zinc/18/31/13/360183113.db2.gz CTIVRRZDWPWZEK-LBPRGKRZSA-N 1 2 249.310 1.737 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C)Cc2cnccn2)n1 ZINC000092590967 360185164 /nfs/dbraw/zinc/18/51/64/360185164.db2.gz RPYDQOOYCBFQEF-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)Cc2cnccn2)n1 ZINC000092590967 360185171 /nfs/dbraw/zinc/18/51/71/360185171.db2.gz RPYDQOOYCBFQEF-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cccs1 ZINC000093384455 360237113 /nfs/dbraw/zinc/23/71/13/360237113.db2.gz FIMTZMZPTFUKPV-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccs1 ZINC000093384455 360237117 /nfs/dbraw/zinc/23/71/17/360237117.db2.gz FIMTZMZPTFUKPV-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CCC3)C2)n[nH]1 ZINC000093640672 360264441 /nfs/dbraw/zinc/26/44/41/360264441.db2.gz FERUKLNETDVMKQ-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CCC3)C2)n[nH]1 ZINC000093640672 360264443 /nfs/dbraw/zinc/26/44/43/360264443.db2.gz FERUKLNETDVMKQ-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c[nH]1 ZINC000093691102 360272407 /nfs/dbraw/zinc/27/24/07/360272407.db2.gz QKHIDBVJVHEUJC-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1nc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c[nH]1 ZINC000093691102 360272411 /nfs/dbraw/zinc/27/24/11/360272411.db2.gz QKHIDBVJVHEUJC-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1ncc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)[nH]1 ZINC000093691102 360272419 /nfs/dbraw/zinc/27/24/19/360272419.db2.gz QKHIDBVJVHEUJC-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1ncc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)[nH]1 ZINC000093691102 360272424 /nfs/dbraw/zinc/27/24/24/360272424.db2.gz QKHIDBVJVHEUJC-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCC1 ZINC000096643118 360351384 /nfs/dbraw/zinc/35/13/84/360351384.db2.gz BTPFBVFYVISFKZ-LLVKDONJSA-N 1 2 233.315 1.458 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000094687835 360316052 /nfs/dbraw/zinc/31/60/52/360316052.db2.gz JHPLAPDJTVLPMN-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000094687835 360316059 /nfs/dbraw/zinc/31/60/59/360316059.db2.gz JHPLAPDJTVLPMN-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO Cc1cnc(C[N@H+](C)CCc2cnccn2)nc1 ZINC000537843580 360400023 /nfs/dbraw/zinc/40/00/23/360400023.db2.gz CSARTJOKMQBMPO-UHFFFAOYSA-N 1 2 243.314 1.250 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCc2cnccn2)nc1 ZINC000537843580 360400028 /nfs/dbraw/zinc/40/00/28/360400028.db2.gz CSARTJOKMQBMPO-UHFFFAOYSA-N 1 2 243.314 1.250 20 0 BDADLO CCC[C@H]([NH2+]C[C@H]1CCCCO1)C(=O)OCC ZINC000097988334 360385620 /nfs/dbraw/zinc/38/56/20/360385620.db2.gz FBVRLTCVDZBKLX-NEPJUHHUSA-N 1 2 243.347 1.877 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000631522133 360548977 /nfs/dbraw/zinc/54/89/77/360548977.db2.gz BHVMLXAPTBJPCR-UWVGGRQHSA-N 1 2 235.331 1.521 20 0 BDADLO CCC(F)(F)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000628841104 360690542 /nfs/dbraw/zinc/69/05/42/360690542.db2.gz JCVXWWOKUZEKBI-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO CCC(F)(F)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000628841104 360690544 /nfs/dbraw/zinc/69/05/44/360690544.db2.gz JCVXWWOKUZEKBI-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO CCCCc1cc(NCCc2nnc[nH]2)nc[nH+]1 ZINC000631163425 360709312 /nfs/dbraw/zinc/70/93/12/360709312.db2.gz CTKCTWBAKYMTHB-UHFFFAOYSA-N 1 2 246.318 1.014 20 0 BDADLO CCC(C)(CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915923 360749606 /nfs/dbraw/zinc/74/96/06/360749606.db2.gz VPTXPQQUWFKVIV-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915923 360749609 /nfs/dbraw/zinc/74/96/09/360749609.db2.gz VPTXPQQUWFKVIV-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C\CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000629031047 360806644 /nfs/dbraw/zinc/80/66/44/360806644.db2.gz LMNDEXIBGOZCCL-XOULXFPDSA-N 1 2 207.277 1.527 20 0 BDADLO C/C=C/CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000629032289 360811547 /nfs/dbraw/zinc/81/15/47/360811547.db2.gz KWEAADDRPSSHOR-CDAZIORVSA-N 1 2 207.277 1.281 20 0 BDADLO C/C=C/CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000629032289 360811549 /nfs/dbraw/zinc/81/15/49/360811549.db2.gz KWEAADDRPSSHOR-CDAZIORVSA-N 1 2 207.277 1.281 20 0 BDADLO C/C=C/CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000629042812 360836856 /nfs/dbraw/zinc/83/68/56/360836856.db2.gz KIBVNTODFKSXDC-ONEGZZNKSA-N 1 2 243.310 1.878 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000309736200 491155266 /nfs/dbraw/zinc/15/52/66/491155266.db2.gz CJKGZQPRQLWCMC-ZYHUDNBSSA-N 1 2 223.320 1.765 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H](C)CO)cs1 ZINC000158874010 361214118 /nfs/dbraw/zinc/21/41/18/361214118.db2.gz RZYDBQZZMYXOFB-QMMMGPOBSA-N 1 2 214.334 1.518 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H](C)CO)cs1 ZINC000158874010 361214122 /nfs/dbraw/zinc/21/41/22/361214122.db2.gz RZYDBQZZMYXOFB-QMMMGPOBSA-N 1 2 214.334 1.518 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640476920 361251213 /nfs/dbraw/zinc/25/12/13/361251213.db2.gz QDPLLBROYVYDEY-ZYHUDNBSSA-N 1 2 221.304 1.031 20 0 BDADLO CC(C)n1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640476920 361251217 /nfs/dbraw/zinc/25/12/17/361251217.db2.gz QDPLLBROYVYDEY-ZYHUDNBSSA-N 1 2 221.304 1.031 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1CC1 ZINC000575001990 361287525 /nfs/dbraw/zinc/28/75/25/361287525.db2.gz UAVDJDNOWURTFM-IUCAKERBSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1CC1 ZINC000575001990 361287529 /nfs/dbraw/zinc/28/75/29/361287529.db2.gz UAVDJDNOWURTFM-IUCAKERBSA-N 1 2 221.304 1.503 20 0 BDADLO CCOC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578992399 366688732 /nfs/dbraw/zinc/68/87/32/366688732.db2.gz OTYOHHPCZLSBLH-WDEREUQCSA-N 1 2 239.319 1.375 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1c[nH]cn1 ZINC000309746818 491155977 /nfs/dbraw/zinc/15/59/77/491155977.db2.gz FVCSZFHQVNWFRU-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO CC[N@@H+](Cc1nnc(C)[nH]1)C[C@H]1CCCO1 ZINC000428210566 201002743 /nfs/dbraw/zinc/00/27/43/201002743.db2.gz UBFUGGGIMOBBOV-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CC[N@H+](Cc1nnc(C)[nH]1)C[C@H]1CCCO1 ZINC000428210566 201002745 /nfs/dbraw/zinc/00/27/45/201002745.db2.gz UBFUGGGIMOBBOV-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)CCO1 ZINC000428252773 201004569 /nfs/dbraw/zinc/00/45/69/201004569.db2.gz LEEANMBCDBKRTI-RYUDHWBXSA-N 1 2 235.331 1.957 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)CCO1 ZINC000428252773 201004572 /nfs/dbraw/zinc/00/45/72/201004572.db2.gz LEEANMBCDBKRTI-RYUDHWBXSA-N 1 2 235.331 1.957 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428429523 201015279 /nfs/dbraw/zinc/01/52/79/201015279.db2.gz HJFKAQXZKZTDRW-GFCCVEGCSA-N 1 2 238.335 1.098 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428429523 201015281 /nfs/dbraw/zinc/01/52/81/201015281.db2.gz HJFKAQXZKZTDRW-GFCCVEGCSA-N 1 2 238.335 1.098 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncsc3C2)ncn1 ZINC000428484971 201025325 /nfs/dbraw/zinc/02/53/25/201025325.db2.gz AHDJZNFNBOHEGZ-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncsc3C2)ncn1 ZINC000428484971 201025327 /nfs/dbraw/zinc/02/53/27/201025327.db2.gz AHDJZNFNBOHEGZ-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000640647020 361347014 /nfs/dbraw/zinc/34/70/14/361347014.db2.gz QZEFDZHCOFTGED-JTQLQIEISA-N 1 2 245.326 1.504 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1nc2ccccc2[nH]1 ZINC000429131014 201071648 /nfs/dbraw/zinc/07/16/48/201071648.db2.gz IMINRNVFHMDNSH-UHFFFAOYSA-N 1 2 246.314 1.260 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1nc2ccccc2[nH]1 ZINC000429131014 201071649 /nfs/dbraw/zinc/07/16/49/201071649.db2.gz IMINRNVFHMDNSH-UHFFFAOYSA-N 1 2 246.314 1.260 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)o1 ZINC000429123085 201072131 /nfs/dbraw/zinc/07/21/31/201072131.db2.gz SIKXOEMNIMTONR-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)C[C@@H]2C)o1 ZINC000429123085 201072135 /nfs/dbraw/zinc/07/21/35/201072135.db2.gz SIKXOEMNIMTONR-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H](O)C1CCC1 ZINC000614277868 363768706 /nfs/dbraw/zinc/76/87/06/363768706.db2.gz YCJQOASQLOXWTP-GFCCVEGCSA-N 1 2 245.282 1.434 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000428970262 201056276 /nfs/dbraw/zinc/05/62/76/201056276.db2.gz YEOLTBYAUAZBPB-WCBMZHEXSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000428970262 201056278 /nfs/dbraw/zinc/05/62/78/201056278.db2.gz YEOLTBYAUAZBPB-WCBMZHEXSA-N 1 2 224.308 1.112 20 0 BDADLO OCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000162831198 361366977 /nfs/dbraw/zinc/36/69/77/361366977.db2.gz HYWHDYOBWKFDJF-UHFFFAOYSA-N 1 2 212.199 1.697 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccnn1C(C)C ZINC000429117768 201068157 /nfs/dbraw/zinc/06/81/57/201068157.db2.gz QREPEMLNBDYAMI-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccnn1C(C)C ZINC000429117768 201068159 /nfs/dbraw/zinc/06/81/59/201068159.db2.gz QREPEMLNBDYAMI-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429244422 201082047 /nfs/dbraw/zinc/08/20/47/201082047.db2.gz GFYJYXKJLMJEFP-KOLCDFICSA-N 1 2 249.310 1.401 20 0 BDADLO Cc1nc(C)c(CNC(=O)CCn2cc[nH+]c2)o1 ZINC000579290519 366753750 /nfs/dbraw/zinc/75/37/50/366753750.db2.gz WZQXROVTKXGOON-UHFFFAOYSA-N 1 2 248.286 1.194 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](CO)C2)no1 ZINC000429722433 201130004 /nfs/dbraw/zinc/13/00/04/201130004.db2.gz IKTGLYFEHCRAHP-SCZZXKLOSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](CO)C2)no1 ZINC000429722433 201130005 /nfs/dbraw/zinc/13/00/05/201130005.db2.gz IKTGLYFEHCRAHP-SCZZXKLOSA-N 1 2 225.292 1.143 20 0 BDADLO CCc1noc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000309960947 491158418 /nfs/dbraw/zinc/15/84/18/491158418.db2.gz LBWCUPKNAROVAP-SSDOTTSWSA-N 1 2 221.264 1.206 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC12CCCC2 ZINC000430244899 201155985 /nfs/dbraw/zinc/15/59/85/201155985.db2.gz QSGQDQTVBYVTEQ-NSHDSACASA-N 1 2 233.315 1.722 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000309938671 491158515 /nfs/dbraw/zinc/15/85/15/491158515.db2.gz AYCWIFYRRLYDJA-MZBZXASESA-N 1 2 221.304 1.778 20 0 BDADLO c1cc2[nH+]ccc(NC[C@@H]3CCCOC3)c2cn1 ZINC000433807256 201196347 /nfs/dbraw/zinc/19/63/47/201196347.db2.gz FDTYXRXXPBYEOC-NSHDSACASA-N 1 2 243.310 1.890 20 0 BDADLO CCOCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000448545708 201199265 /nfs/dbraw/zinc/19/92/65/201199265.db2.gz XEGYVUOJTXXDTK-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CCOCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000448545708 201199267 /nfs/dbraw/zinc/19/92/67/201199267.db2.gz XEGYVUOJTXXDTK-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065448649 361568017 /nfs/dbraw/zinc/56/80/17/361568017.db2.gz HEMCUXKHWDPZLF-DTWKUNHWSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065448649 361568019 /nfs/dbraw/zinc/56/80/19/361568019.db2.gz HEMCUXKHWDPZLF-DTWKUNHWSA-N 1 2 215.293 1.047 20 0 BDADLO CCOC1C[NH+](Cc2sc(C)nc2C)C1 ZINC000448552726 201245122 /nfs/dbraw/zinc/24/51/22/201245122.db2.gz CMGQDLNGUTYTGM-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1[nH]nc2ncc(C[NH+]3CCOCC3)cc12 ZINC000435241035 201257215 /nfs/dbraw/zinc/25/72/15/201257215.db2.gz RMTOOWZDWCNTOF-UHFFFAOYSA-N 1 2 232.287 1.099 20 0 BDADLO OCCCCNc1ccc(-c2cncnc2)c[nH+]1 ZINC000629714097 361655983 /nfs/dbraw/zinc/65/59/83/361655983.db2.gz VMSKIKBKSFWSBZ-UHFFFAOYSA-N 1 2 244.298 1.145 20 0 BDADLO Cn1c[nH+]cc1C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000379752500 361680823 /nfs/dbraw/zinc/68/08/23/361680823.db2.gz AWXDGOUYAQZEGE-UHFFFAOYSA-N 1 2 237.303 1.249 20 0 BDADLO Cn1c[nH+]cc1C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000379752500 361680830 /nfs/dbraw/zinc/68/08/30/361680830.db2.gz AWXDGOUYAQZEGE-UHFFFAOYSA-N 1 2 237.303 1.249 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(F)cn1 ZINC000181574254 366827766 /nfs/dbraw/zinc/82/77/66/366827766.db2.gz OGWMGNSIKOFHCY-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO CC1(C)COCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000614427385 363813355 /nfs/dbraw/zinc/81/33/55/363813355.db2.gz QCCUDDROKSVLST-JTQLQIEISA-N 1 2 249.314 1.040 20 0 BDADLO CCO[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000622081812 370698159 /nfs/dbraw/zinc/69/81/59/370698159.db2.gz CVXNZZOZVRQBBA-ZJUUUORDSA-N 1 2 239.319 1.505 20 0 BDADLO CC[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000618952883 363914267 /nfs/dbraw/zinc/91/42/67/363914267.db2.gz BEVCNPNEBAPMPR-YPMHNXCESA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000618952883 363914274 /nfs/dbraw/zinc/91/42/74/363914274.db2.gz BEVCNPNEBAPMPR-YPMHNXCESA-N 1 2 240.347 1.012 20 0 BDADLO CCCCc1cc(NC[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000631132189 364067419 /nfs/dbraw/zinc/06/74/19/364067419.db2.gz BBXGDBUXWQEKNF-YPMHNXCESA-N 1 2 249.358 1.814 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1cccnc1 ZINC000630409263 364141648 /nfs/dbraw/zinc/14/16/48/364141648.db2.gz JXJOWJWOZHYAMJ-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)F ZINC000630384689 364097011 /nfs/dbraw/zinc/09/70/11/364097011.db2.gz DPGGLQWIUHHUNI-UHFFFAOYSA-N 1 2 223.255 1.523 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cncnc1 ZINC000622083501 370699261 /nfs/dbraw/zinc/69/92/61/370699261.db2.gz FZTYUSZESBNWBU-SECBINFHSA-N 1 2 245.286 1.184 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c[nH]nc1C ZINC000622082779 370699577 /nfs/dbraw/zinc/69/95/77/370699577.db2.gz ROEFOAPSNFGQBB-SECBINFHSA-N 1 2 247.302 1.426 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnn(C)c1 ZINC000622082466 370699626 /nfs/dbraw/zinc/69/96/26/370699626.db2.gz NSLCVNYVIWJWFX-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N(C1CC1)C1CC1 ZINC000630395142 364118697 /nfs/dbraw/zinc/11/86/97/364118697.db2.gz VQUIPUKOBKWKJR-UHFFFAOYSA-N 1 2 248.330 1.610 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C1CC1)C1CC1 ZINC000630395200 364118701 /nfs/dbraw/zinc/11/87/01/364118701.db2.gz XOELOIIHGIWZNX-SNVBAGLBSA-N 1 2 248.330 1.608 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CC(C)(C)O ZINC000622084483 370701414 /nfs/dbraw/zinc/70/14/14/370701414.db2.gz YMWYNDHJFSPQTL-VIFPVBQESA-N 1 2 239.319 1.241 20 0 BDADLO C/C=C\CNC(=O)NCCCn1cc[nH+]c1 ZINC000630397175 364123194 /nfs/dbraw/zinc/12/31/94/364123194.db2.gz RYRAXKXTGANKHC-IHWYPQMZSA-N 1 2 222.292 1.149 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000622133876 370728045 /nfs/dbraw/zinc/72/80/45/370728045.db2.gz NKQQRCSJQJVJQN-UHFFFAOYSA-N 1 2 247.302 1.528 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000622133876 370728049 /nfs/dbraw/zinc/72/80/49/370728049.db2.gz NKQQRCSJQJVJQN-UHFFFAOYSA-N 1 2 247.302 1.528 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@H]1CC1(F)F ZINC000622196047 370757418 /nfs/dbraw/zinc/75/74/18/370757418.db2.gz AQHQRKYFPOBVHK-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@H]1CC1(F)F ZINC000622196047 370757419 /nfs/dbraw/zinc/75/74/19/370757419.db2.gz AQHQRKYFPOBVHK-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO COc1ccc(C)cc1C[NH2+]Cc1ncnn1C ZINC000080532152 370778057 /nfs/dbraw/zinc/77/80/57/370778057.db2.gz UJOYELXTTKXFIS-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO c1cn(Cc2cn(CCOC3CCC3)nn2)c[nH+]1 ZINC000630602914 364324420 /nfs/dbraw/zinc/32/44/20/364324420.db2.gz ZUJYSDUJMICVIG-UHFFFAOYSA-N 1 2 247.302 1.092 20 0 BDADLO C[C@@H](C(=O)C1CC1)n1cc(C[NH+]2CCCC2)nn1 ZINC000630605435 364335468 /nfs/dbraw/zinc/33/54/68/364335468.db2.gz ZMNDZJSIWIFWCN-JTQLQIEISA-N 1 2 248.330 1.414 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]1C(F)(F)F ZINC000615030273 364395660 /nfs/dbraw/zinc/39/56/60/364395660.db2.gz OOKGORXNFSARQP-MRVPVSSYSA-N 1 2 247.220 1.506 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]1C(F)(F)F ZINC000615030273 364395665 /nfs/dbraw/zinc/39/56/65/364395665.db2.gz OOKGORXNFSARQP-MRVPVSSYSA-N 1 2 247.220 1.506 20 0 BDADLO COc1cc(CNc2c[nH]c[nH+]2)cc(OC)c1O ZINC000515100099 541355364 /nfs/dbraw/zinc/35/53/64/541355364.db2.gz YGOXTXJODWXRSS-UHFFFAOYSA-N 1 2 249.270 1.745 20 0 BDADLO CCOC(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000630749051 364535045 /nfs/dbraw/zinc/53/50/45/364535045.db2.gz MVWGPGBNDNSETA-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO CCOC(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000630749050 364535285 /nfs/dbraw/zinc/53/52/85/364535285.db2.gz MVWGPGBNDNSETA-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO C[C@@H](NC(=O)C1CC2(CC2)C1)c1[nH]cc[nH+]1 ZINC000615158139 364549997 /nfs/dbraw/zinc/54/99/97/364549997.db2.gz JVHKMEPAGIKMPZ-MRVPVSSYSA-N 1 2 219.288 1.777 20 0 BDADLO C[C@@H](NC(=O)c1coc(C2CC2)n1)c1[nH]cc[nH+]1 ZINC000615158174 364550461 /nfs/dbraw/zinc/55/04/61/364550461.db2.gz KBSRJNIGIGLXKK-SSDOTTSWSA-N 1 2 246.270 1.766 20 0 BDADLO COc1cc(NCc2[nH]cc[nH+]2)cnc1OC ZINC000623632616 364677565 /nfs/dbraw/zinc/67/75/65/364677565.db2.gz HMHJMHBGUOVZBF-UHFFFAOYSA-N 1 2 234.259 1.434 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000615362370 364731844 /nfs/dbraw/zinc/73/18/44/364731844.db2.gz GNTZJQKSGQVRAX-OPRDCNLKSA-N 1 2 233.315 1.381 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000615362370 364731850 /nfs/dbraw/zinc/73/18/50/364731850.db2.gz GNTZJQKSGQVRAX-OPRDCNLKSA-N 1 2 233.315 1.381 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000615363043 364733700 /nfs/dbraw/zinc/73/37/00/364733700.db2.gz IOMCNZRHDXEOLV-GWOFURMSSA-N 1 2 233.315 1.390 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2cncc(F)c2)[nH]1 ZINC000274642985 364757775 /nfs/dbraw/zinc/75/77/75/364757775.db2.gz ZVCHIUSTFRVSMQ-QMMMGPOBSA-N 1 2 249.293 1.752 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCOC[C@@H]1C ZINC000573338321 364804984 /nfs/dbraw/zinc/80/49/84/364804984.db2.gz KJTYRENDSJIJNG-JQWIXIFHSA-N 1 2 235.331 1.600 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc[nH]2)CC[C@H]1O ZINC000275466944 364759345 /nfs/dbraw/zinc/75/93/45/364759345.db2.gz NZKBLWFHTNJADP-SECBINFHSA-N 1 2 209.293 1.003 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)CC[C@H]1O ZINC000275466944 364759348 /nfs/dbraw/zinc/75/93/48/364759348.db2.gz NZKBLWFHTNJADP-SECBINFHSA-N 1 2 209.293 1.003 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](O)C2CCC2)[nH+]1 ZINC000573415709 364826485 /nfs/dbraw/zinc/82/64/85/364826485.db2.gz GOLNDSHLIAWJGC-NSHDSACASA-N 1 2 246.314 1.261 20 0 BDADLO Cc1nsc(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000573694546 364894500 /nfs/dbraw/zinc/89/45/00/364894500.db2.gz FAUBWHYFSJLLTD-SNVBAGLBSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nsc(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000573694546 364894505 /nfs/dbraw/zinc/89/45/05/364894505.db2.gz FAUBWHYFSJLLTD-SNVBAGLBSA-N 1 2 239.344 1.080 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cscn1 ZINC000617820716 364924330 /nfs/dbraw/zinc/92/43/30/364924330.db2.gz DIAWYPTWBAUIHY-MRVPVSSYSA-N 1 2 236.300 1.217 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000573989971 364963244 /nfs/dbraw/zinc/96/32/44/364963244.db2.gz PBQBTJYQRCFPAD-SCZZXKLOSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000573989971 364963247 /nfs/dbraw/zinc/96/32/47/364963247.db2.gz PBQBTJYQRCFPAD-SCZZXKLOSA-N 1 2 207.277 1.257 20 0 BDADLO Cn1c[nH+]c(CCNc2ccnc(C3CC3)n2)c1 ZINC000574050378 364977403 /nfs/dbraw/zinc/97/74/03/364977403.db2.gz IASXDAKRUPGQED-UHFFFAOYSA-N 1 2 243.314 1.164 20 0 BDADLO CNC(=O)[C@H]1CCC[C@H]1Nc1nc(C)[nH+]cc1C ZINC000574171357 365002130 /nfs/dbraw/zinc/00/21/30/365002130.db2.gz WEOVYYFGYSUEBD-WDEREUQCSA-N 1 2 248.330 1.420 20 0 BDADLO C[N@H+](Cc1cnns1)Cc1cccc(O)c1 ZINC000574149552 364995252 /nfs/dbraw/zinc/99/52/52/364995252.db2.gz GYZCYKOAMMTFCZ-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cnns1)Cc1cccc(O)c1 ZINC000574149552 364995256 /nfs/dbraw/zinc/99/52/56/364995256.db2.gz GYZCYKOAMMTFCZ-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO O=C(NC[C@H]1CC12CC2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000574383828 365048626 /nfs/dbraw/zinc/04/86/26/365048626.db2.gz POAYATIPTCOOGL-ZJUUUORDSA-N 1 2 245.326 1.746 20 0 BDADLO O=C(NC[C@H]1CC12CC2)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000574383828 365048630 /nfs/dbraw/zinc/04/86/30/365048630.db2.gz POAYATIPTCOOGL-ZJUUUORDSA-N 1 2 245.326 1.746 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C(C)=O)no2)C1 ZINC000574288621 365028574 /nfs/dbraw/zinc/02/85/74/365028574.db2.gz PIUKCSACOVVBFO-AOOOYVTPSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(C)=O)no2)C1 ZINC000574288621 365028578 /nfs/dbraw/zinc/02/85/78/365028578.db2.gz PIUKCSACOVVBFO-AOOOYVTPSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNc1nc(C)[nH+]cc1C ZINC000574290732 365031010 /nfs/dbraw/zinc/03/10/10/365031010.db2.gz OTJDJYHIVRINPO-NWDGAFQWSA-N 1 2 235.331 1.742 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000574615614 365102653 /nfs/dbraw/zinc/10/26/53/365102653.db2.gz KUOIMCVGXWDECO-JTQLQIEISA-N 1 2 248.330 1.528 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H]1CCOC1 ZINC000574650895 365113712 /nfs/dbraw/zinc/11/37/12/365113712.db2.gz DGDQODRWXCVFPI-NSHDSACASA-N 1 2 221.304 1.566 20 0 BDADLO Cc1cccc(O)c1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000574821389 365153910 /nfs/dbraw/zinc/15/39/10/365153910.db2.gz GEOVCMJSHNHEHC-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO CC1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC000622241038 370791225 /nfs/dbraw/zinc/79/12/25/370791225.db2.gz MGYIGGMCBBAFFT-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO CC[N@H+](Cc1ccc(Cl)o1)[C@@H]1CCNC1=O ZINC000442964933 193007583 /nfs/dbraw/zinc/00/75/83/193007583.db2.gz JXEDKWYXUHHLJC-SECBINFHSA-N 1 2 242.706 1.643 20 0 BDADLO CC[N@@H+](Cc1ccc(Cl)o1)[C@@H]1CCNC1=O ZINC000442964933 193007585 /nfs/dbraw/zinc/00/75/85/193007585.db2.gz JXEDKWYXUHHLJC-SECBINFHSA-N 1 2 242.706 1.643 20 0 BDADLO CC(C)c1ncncc1C(=O)NCc1c[nH+]c[nH]1 ZINC000443538036 193023240 /nfs/dbraw/zinc/02/32/40/193023240.db2.gz FCILUIUZCNWOAJ-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO CC(C)c1ncncc1C(=O)NCc1c[nH]c[nH+]1 ZINC000443538036 193023243 /nfs/dbraw/zinc/02/32/43/193023243.db2.gz FCILUIUZCNWOAJ-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000575429471 365318998 /nfs/dbraw/zinc/31/89/98/365318998.db2.gz SZYOABCLVTXSMY-MRVPVSSYSA-N 1 2 218.260 1.537 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](O)C(C)C)[nH+]1 ZINC000575875775 365400979 /nfs/dbraw/zinc/40/09/79/365400979.db2.gz UZBIDZCLVDVFNT-SECBINFHSA-N 1 2 239.319 1.086 20 0 BDADLO CC(C)OCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000182725226 366936034 /nfs/dbraw/zinc/93/60/34/366936034.db2.gz IQBNVRNBWHFHNV-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCC(CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000279402205 541498649 /nfs/dbraw/zinc/49/86/49/541498649.db2.gz JUBDMKBQZAQZMK-UHFFFAOYSA-N 1 2 223.320 1.813 20 0 BDADLO CCC(CC)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000279402205 541498655 /nfs/dbraw/zinc/49/86/55/541498655.db2.gz JUBDMKBQZAQZMK-UHFFFAOYSA-N 1 2 223.320 1.813 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000579722594 366991655 /nfs/dbraw/zinc/99/16/55/366991655.db2.gz ZHFUECYZRQEHIR-WDEREUQCSA-N 1 2 233.315 1.771 20 0 BDADLO CC[C@H](F)C[N@H+](CCO)Cc1ccnn1CC ZINC000440516929 201484232 /nfs/dbraw/zinc/48/42/32/201484232.db2.gz HNEHZBRILZXKGE-NSHDSACASA-N 1 2 243.326 1.445 20 0 BDADLO CC[C@H](F)C[N@@H+](CCO)Cc1ccnn1CC ZINC000440516929 201484235 /nfs/dbraw/zinc/48/42/35/201484235.db2.gz HNEHZBRILZXKGE-NSHDSACASA-N 1 2 243.326 1.445 20 0 BDADLO COC[C@@H]([NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000183430086 367022334 /nfs/dbraw/zinc/02/23/34/367022334.db2.gz HXQBKZMFUBFOKA-SNVBAGLBSA-N 1 2 237.303 1.462 20 0 BDADLO COC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183197806 367000924 /nfs/dbraw/zinc/00/09/24/367000924.db2.gz JTVHOFBMLPFOKY-ZDUSSCGKSA-N 1 2 233.311 1.770 20 0 BDADLO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1noc(CC)n1 ZINC000579843403 367045426 /nfs/dbraw/zinc/04/54/26/367045426.db2.gz FSKISYVOZCSJHK-VHSXEESVSA-N 1 2 241.335 1.519 20 0 BDADLO CCC[C@@H](C)[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000579844269 367046433 /nfs/dbraw/zinc/04/64/33/367046433.db2.gz QVZMJTUMVCDGGR-KCJUWKMLSA-N 1 2 239.319 1.245 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000580831111 367181413 /nfs/dbraw/zinc/18/14/13/367181413.db2.gz DEHSJOCCXHYTCI-SNVBAGLBSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000580831111 367181419 /nfs/dbraw/zinc/18/14/19/367181419.db2.gz DEHSJOCCXHYTCI-SNVBAGLBSA-N 1 2 238.335 1.366 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000580719081 367149868 /nfs/dbraw/zinc/14/98/68/367149868.db2.gz NEXSVGXSZPXBSM-GMTAPVOTSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)C(C)(F)F)n1cc[nH+]c1 ZINC000580837606 367183929 /nfs/dbraw/zinc/18/39/29/367183929.db2.gz XFCBNQWWRLHCGB-BDAKNGLRSA-N 1 2 245.273 1.994 20 0 BDADLO CC(C)CN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC000622340802 370855661 /nfs/dbraw/zinc/85/56/61/370855661.db2.gz HIRYJWBZYPQQDU-UHFFFAOYSA-N 1 2 237.347 1.856 20 0 BDADLO COc1ccc(C[N@H+](C)CC(C)=O)cc1OC ZINC000258869220 370856671 /nfs/dbraw/zinc/85/66/71/370856671.db2.gz GLYSPFAFENFEFY-UHFFFAOYSA-N 1 2 237.299 1.725 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(C)=O)cc1OC ZINC000258869220 370856677 /nfs/dbraw/zinc/85/66/77/370856677.db2.gz GLYSPFAFENFEFY-UHFFFAOYSA-N 1 2 237.299 1.725 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000194185201 367263009 /nfs/dbraw/zinc/26/30/09/367263009.db2.gz BQXWWKVLNLBLEN-SECBINFHSA-N 1 2 225.263 1.992 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000194185201 367263016 /nfs/dbraw/zinc/26/30/16/367263016.db2.gz BQXWWKVLNLBLEN-SECBINFHSA-N 1 2 225.263 1.992 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000440704267 201505916 /nfs/dbraw/zinc/50/59/16/201505916.db2.gz LIYIUXVGLVZFLL-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440704267 201505919 /nfs/dbraw/zinc/50/59/19/201505919.db2.gz LIYIUXVGLVZFLL-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCSC1 ZINC000565213334 325876068 /nfs/dbraw/zinc/87/60/68/325876068.db2.gz MQUOAOVBANEYNQ-VIFPVBQESA-N 1 2 239.344 1.272 20 0 BDADLO C[C@H](Nc1c[nH]c[nH+]1)C1CCS(=O)(=O)CC1 ZINC000381501198 367420293 /nfs/dbraw/zinc/42/02/93/367420293.db2.gz OWWQLEDIWOWRAZ-QMMMGPOBSA-N 1 2 243.332 1.035 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCCC1(F)F)C(=O)OC ZINC000381508202 367422124 /nfs/dbraw/zinc/42/21/24/367422124.db2.gz KHZUXTUIFVJETC-BDAKNGLRSA-N 1 2 235.274 1.963 20 0 BDADLO COCc1ccc(C[NH2+]Cc2ccno2)o1 ZINC000382635826 367548408 /nfs/dbraw/zinc/54/84/08/367548408.db2.gz MXPRRKBGMMDERI-UHFFFAOYSA-N 1 2 222.244 1.704 20 0 BDADLO CC1(CNC(=O)[C@@H]([NH3+])c2cscn2)CCC1 ZINC000581661667 367662309 /nfs/dbraw/zinc/66/23/09/367662309.db2.gz JNSYERNBFOKHBG-VIFPVBQESA-N 1 2 239.344 1.449 20 0 BDADLO CC[C@@H](COC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581676245 367706279 /nfs/dbraw/zinc/70/62/79/367706279.db2.gz PZCSYBKAMWCISZ-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H](COC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581676245 367706286 /nfs/dbraw/zinc/70/62/86/367706286.db2.gz PZCSYBKAMWCISZ-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC1(F)F ZINC000622361439 370868661 /nfs/dbraw/zinc/86/86/61/370868661.db2.gz HCLGCVCGHJYFDR-LURJTMIESA-N 1 2 215.203 1.023 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)nc[nH+]1 ZINC000385050577 367778821 /nfs/dbraw/zinc/77/88/21/367778821.db2.gz BQCJZFOCXYPNBZ-LPEHRKFASA-N 1 2 207.277 1.763 20 0 BDADLO CCOC(=O)c1ncc(Cn2cc[nH+]c2)s1 ZINC000117206939 370884528 /nfs/dbraw/zinc/88/45/28/370884528.db2.gz MIXAINVJYNLRGH-UHFFFAOYSA-N 1 2 237.284 1.565 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(C(C)C)ncn1 ZINC000385159433 367803295 /nfs/dbraw/zinc/80/32/95/367803295.db2.gz DZCAYSIXIBCGDK-UHFFFAOYSA-N 1 2 245.330 1.850 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000385724325 367859058 /nfs/dbraw/zinc/85/90/58/367859058.db2.gz SPPHNTWVWCMPQX-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000385724325 367859066 /nfs/dbraw/zinc/85/90/66/367859066.db2.gz SPPHNTWVWCMPQX-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H]1CC(C)C)C1CC1 ZINC000385349889 367820816 /nfs/dbraw/zinc/82/08/16/367820816.db2.gz DYUWHAZJKPIDRA-IJLUTSLNSA-N 1 2 225.332 1.962 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ccc(CO)o1 ZINC000081555284 370892652 /nfs/dbraw/zinc/89/26/52/370892652.db2.gz FXPPPEDMTMPXKR-UHFFFAOYSA-N 1 2 248.282 1.465 20 0 BDADLO Cc1ccc(C)c(OCC[N@@H+]2CCNC(=O)C2)c1 ZINC000016388691 367951557 /nfs/dbraw/zinc/95/15/57/367951557.db2.gz BJVWIOWQHLRWBN-UHFFFAOYSA-N 1 2 248.326 1.114 20 0 BDADLO Cc1ccc(C)c(OCC[N@H+]2CCNC(=O)C2)c1 ZINC000016388691 367951564 /nfs/dbraw/zinc/95/15/64/367951564.db2.gz BJVWIOWQHLRWBN-UHFFFAOYSA-N 1 2 248.326 1.114 20 0 BDADLO Cc1cc(C[NH2+]C[C@H]2CCCN2C)no1 ZINC000386451340 367976036 /nfs/dbraw/zinc/97/60/36/367976036.db2.gz QSJDMCWUXZENAR-LLVKDONJSA-N 1 2 209.293 1.167 20 0 BDADLO CCC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000581977369 368034104 /nfs/dbraw/zinc/03/41/04/368034104.db2.gz QBOYNNUZDMVVEJ-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@@H](CC(=O)N(C)C1CC1)n1cc[nH+]c1 ZINC000566307330 326032221 /nfs/dbraw/zinc/03/22/21/326032221.db2.gz IYKZDALIIAKPIY-VIFPVBQESA-N 1 2 207.277 1.455 20 0 BDADLO CC[C@H](O)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566331038 326034286 /nfs/dbraw/zinc/03/42/86/326034286.db2.gz LHBZQUATJQUHDK-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO CCO[C@@H](CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000581976813 368033020 /nfs/dbraw/zinc/03/30/20/368033020.db2.gz ZWWQTBLKQQEGOR-NSHDSACASA-N 1 2 237.303 1.040 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399513058 368170827 /nfs/dbraw/zinc/17/08/27/368170827.db2.gz ZZWALDFCCXPHCM-MNOVXSKESA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399513058 368170831 /nfs/dbraw/zinc/17/08/31/368170831.db2.gz ZZWALDFCCXPHCM-MNOVXSKESA-N 1 2 238.335 1.204 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](F)C1 ZINC000615747905 368239400 /nfs/dbraw/zinc/23/94/00/368239400.db2.gz ZGLXRWLWJKJIPZ-DTWKUNHWSA-N 1 2 237.278 1.085 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](F)C1 ZINC000615747905 368239405 /nfs/dbraw/zinc/23/94/05/368239405.db2.gz ZGLXRWLWJKJIPZ-DTWKUNHWSA-N 1 2 237.278 1.085 20 0 BDADLO CSCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000615822038 368452071 /nfs/dbraw/zinc/45/20/71/368452071.db2.gz GYLNIDXBZGYFAA-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CSCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000615822038 368452073 /nfs/dbraw/zinc/45/20/73/368452073.db2.gz GYLNIDXBZGYFAA-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C2(C)CC2)n1 ZINC000457319117 203037245 /nfs/dbraw/zinc/03/72/45/203037245.db2.gz VROOHLNIVFEKLB-UHFFFAOYSA-N 1 2 239.344 1.943 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCCCC2)c1 ZINC000259773890 370942658 /nfs/dbraw/zinc/94/26/58/370942658.db2.gz GRRMJHQJORUWTO-UHFFFAOYSA-N 1 2 234.299 1.787 20 0 BDADLO CSCC[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000073828766 368817981 /nfs/dbraw/zinc/81/79/81/368817981.db2.gz FTUXWERVKVOERU-SNVBAGLBSA-N 1 2 241.360 1.483 20 0 BDADLO CCC(C)(C)OCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000457547213 203073501 /nfs/dbraw/zinc/07/35/01/203073501.db2.gz HSRFIFJSKZWRIN-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000130813493 369090304 /nfs/dbraw/zinc/09/03/04/369090304.db2.gz ZAGQCTUJUCGQLJ-BBBLOLIVSA-N 1 2 231.336 1.730 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855282 203113437 /nfs/dbraw/zinc/11/34/37/203113437.db2.gz KRMOFDWUCBBKPP-AAEUAGOBSA-N 1 2 235.331 1.515 20 0 BDADLO CC[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000618401569 369135717 /nfs/dbraw/zinc/13/57/17/369135717.db2.gz IEMZXBFROFCDIQ-LLVKDONJSA-N 1 2 247.298 1.143 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC2(C)C)c1 ZINC000457851015 203111323 /nfs/dbraw/zinc/11/13/23/203111323.db2.gz HEIKEKVNYOWODS-JTQLQIEISA-N 1 2 221.304 1.125 20 0 BDADLO C[C@@H]1CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457857448 203114293 /nfs/dbraw/zinc/11/42/93/203114293.db2.gz MGFBKNAVRJYUGW-PWSUYJOCSA-N 1 2 235.331 1.515 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2ccsc2)c1 ZINC000457873473 203115790 /nfs/dbraw/zinc/11/57/90/203115790.db2.gz DKIQIWMXYQNPGV-UHFFFAOYSA-N 1 2 235.312 1.454 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@H]2C=CCCC2)c1 ZINC000457866572 203115916 /nfs/dbraw/zinc/11/59/16/203115916.db2.gz WENIMSWYYWGING-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](O)C(C)(C)C1 ZINC000567487526 326202360 /nfs/dbraw/zinc/20/23/60/326202360.db2.gz RXYBWVCHSXUMSS-NSHDSACASA-N 1 2 235.331 1.691 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCC2(C)CC2)c1 ZINC000458484739 203176378 /nfs/dbraw/zinc/17/63/78/203176378.db2.gz DNKLJHIDOWASSY-UHFFFAOYSA-N 1 2 236.319 1.062 20 0 BDADLO Cc1occc1CNC(=O)NCCn1cc[nH+]c1 ZINC000618918138 369240718 /nfs/dbraw/zinc/24/07/18/369240718.db2.gz QSQIUVKNCBJSEH-UHFFFAOYSA-N 1 2 248.286 1.284 20 0 BDADLO Cc1cccn2c(NC(=O)[C@@H]3CCCO3)c[nH+]c12 ZINC000619010350 369257386 /nfs/dbraw/zinc/25/73/86/369257386.db2.gz CJMYTKSRPMSAOE-JTQLQIEISA-N 1 2 245.282 1.760 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459301311 203249910 /nfs/dbraw/zinc/24/99/10/203249910.db2.gz CRGIQCPBTRZYGZ-CYBMUJFWSA-N 1 2 247.342 1.965 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459301311 203249913 /nfs/dbraw/zinc/24/99/13/203249913.db2.gz CRGIQCPBTRZYGZ-CYBMUJFWSA-N 1 2 247.342 1.965 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1cccc(C)n1 ZINC000459377979 203272475 /nfs/dbraw/zinc/27/24/75/203272475.db2.gz NTROBYLDCWMXFI-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1cccc(C)n1 ZINC000459377979 203272478 /nfs/dbraw/zinc/27/24/78/203272478.db2.gz NTROBYLDCWMXFI-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459336879 203260172 /nfs/dbraw/zinc/26/01/72/203260172.db2.gz AZOUZTHQRNXHJB-NSHDSACASA-N 1 2 243.738 1.647 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459336879 203260177 /nfs/dbraw/zinc/26/01/77/203260177.db2.gz AZOUZTHQRNXHJB-NSHDSACASA-N 1 2 243.738 1.647 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)no1 ZINC000459345922 203264144 /nfs/dbraw/zinc/26/41/44/203264144.db2.gz KECBEQACSOFFGF-BXKDBHETSA-N 1 2 222.288 1.805 20 0 BDADLO COCc1cc(C[N@H+]2C[C@H]3CCC[C@H]32)no1 ZINC000459345922 203264146 /nfs/dbraw/zinc/26/41/46/203264146.db2.gz KECBEQACSOFFGF-BXKDBHETSA-N 1 2 222.288 1.805 20 0 BDADLO CCn1nncc1C[N@@H+]1CCOC[C@@]1(C)CC ZINC000459383855 203270485 /nfs/dbraw/zinc/27/04/85/203270485.db2.gz GBQAXGYNQDWKMO-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1nncc1C[N@H+]1CCOC[C@@]1(C)CC ZINC000459383855 203270489 /nfs/dbraw/zinc/27/04/89/203270489.db2.gz GBQAXGYNQDWKMO-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619369987 369328563 /nfs/dbraw/zinc/32/85/63/369328563.db2.gz VUBONFUMMAVFBM-QWRGUYRKSA-N 1 2 233.315 1.221 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459536449 203297178 /nfs/dbraw/zinc/29/71/78/203297178.db2.gz WSKMLBKDVZHCHF-WXHSDQCUSA-N 1 2 233.311 1.941 20 0 BDADLO CC1(C)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1(F)F ZINC000619383619 369331460 /nfs/dbraw/zinc/33/14/60/369331460.db2.gz GAQMRRQFRBBOQB-MRVPVSSYSA-N 1 2 243.257 1.291 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619337175 369312631 /nfs/dbraw/zinc/31/26/31/369312631.db2.gz FSUULTTWSAVPLD-VWYCJHECSA-N 1 2 233.315 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619337175 369312634 /nfs/dbraw/zinc/31/26/34/369312634.db2.gz FSUULTTWSAVPLD-VWYCJHECSA-N 1 2 233.315 1.457 20 0 BDADLO COC1C[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000459586558 203306459 /nfs/dbraw/zinc/30/64/59/203306459.db2.gz UHDVKDRXZOZZLZ-UHFFFAOYSA-N 1 2 244.298 1.302 20 0 BDADLO COCCCOC1C[NH+](Cc2cccs2)C1 ZINC000459598117 203311094 /nfs/dbraw/zinc/31/10/94/203311094.db2.gz UTWWELXOQLKNOZ-UHFFFAOYSA-N 1 2 241.356 1.985 20 0 BDADLO COc1cccc(C[C@H](C)[NH2+]CC(F)F)n1 ZINC000459550563 203299131 /nfs/dbraw/zinc/29/91/31/203299131.db2.gz UMYLZVPGJPZJHN-QMMMGPOBSA-N 1 2 230.258 1.876 20 0 BDADLO CC[C@@](COC)([NH2+]CCC1CC1)C(=O)OC ZINC000459561821 203301075 /nfs/dbraw/zinc/30/10/75/203301075.db2.gz SUXCUXZIWSLPTH-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1csc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000401726856 369369327 /nfs/dbraw/zinc/36/93/27/369369327.db2.gz QZLMYFISRAROLO-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CCOC1(C)C[NH+](Cc2c(C)noc2C)C1 ZINC000459612064 203315956 /nfs/dbraw/zinc/31/59/56/203315956.db2.gz LZBONWPGYQBBQB-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO CN(C)c1ncc(C[NH+]2CC(C)(CO)C2)s1 ZINC000459617806 203317877 /nfs/dbraw/zinc/31/78/77/203317877.db2.gz CYXOOWBQFMNZNO-UHFFFAOYSA-N 1 2 241.360 1.023 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404523750 369431446 /nfs/dbraw/zinc/43/14/46/369431446.db2.gz RJDZWQVINPVQGR-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404523750 369431453 /nfs/dbraw/zinc/43/14/53/369431453.db2.gz RJDZWQVINPVQGR-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO CCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619514455 369456347 /nfs/dbraw/zinc/45/63/47/369456347.db2.gz HYFWSRFWIZLZAF-IUCAKERBSA-N 1 2 203.257 1.372 20 0 BDADLO CCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619514455 369456351 /nfs/dbraw/zinc/45/63/51/369456351.db2.gz HYFWSRFWIZLZAF-IUCAKERBSA-N 1 2 203.257 1.372 20 0 BDADLO CCc1noc(C[N@H+](C)CCc2ccncc2)n1 ZINC000069608672 370961136 /nfs/dbraw/zinc/96/11/36/370961136.db2.gz OBUJXBDBXCGKDW-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CCc1noc(C[N@@H+](C)CCc2ccncc2)n1 ZINC000069608672 370961144 /nfs/dbraw/zinc/96/11/44/370961144.db2.gz OBUJXBDBXCGKDW-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO Cc1cc(C[N@H+](C)CCn2ccccc2=O)no1 ZINC000622500952 370964883 /nfs/dbraw/zinc/96/48/83/370964883.db2.gz SYQGJVSNDQYCBC-UHFFFAOYSA-N 1 2 247.298 1.277 20 0 BDADLO Cc1cc(C[N@@H+](C)CCn2ccccc2=O)no1 ZINC000622500952 370964886 /nfs/dbraw/zinc/96/48/86/370964886.db2.gz SYQGJVSNDQYCBC-UHFFFAOYSA-N 1 2 247.298 1.277 20 0 BDADLO C[C@H](NC(=O)C(C)(C)C)c1[nH+]ccn1C ZINC000082277385 370979167 /nfs/dbraw/zinc/97/91/67/370979167.db2.gz FRSSFRABWJCYOV-QMMMGPOBSA-N 1 2 209.293 1.643 20 0 BDADLO CC(=O)NCCNc1cc[nH+]c(C(C)C)n1 ZINC000110113536 369620010 /nfs/dbraw/zinc/62/00/10/369620010.db2.gz OXIWNJLINRCHGL-UHFFFAOYSA-N 1 2 222.292 1.148 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1=CCCC1 ZINC000620008844 369667026 /nfs/dbraw/zinc/66/70/26/369667026.db2.gz UXSSUGOTRJDSCQ-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1=CCCC1 ZINC000620008844 369667030 /nfs/dbraw/zinc/66/70/30/369667030.db2.gz UXSSUGOTRJDSCQ-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000620078574 369714008 /nfs/dbraw/zinc/71/40/08/369714008.db2.gz MRSYIYSHIOSFMW-YGRLFVJLSA-N 1 2 247.342 1.750 20 0 BDADLO CC(NC(=O)CCn1cc[nH+]c1)(C1CC1)C1CC1 ZINC000620027588 369673289 /nfs/dbraw/zinc/67/32/89/369673289.db2.gz QFFHSWORTVDSIY-UHFFFAOYSA-N 1 2 247.342 1.968 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000620368420 369855970 /nfs/dbraw/zinc/85/59/70/369855970.db2.gz JLERICUUWCXZQD-BDAKNGLRSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000620368420 369855972 /nfs/dbraw/zinc/85/59/72/369855972.db2.gz JLERICUUWCXZQD-BDAKNGLRSA-N 1 2 239.319 1.938 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC000620429409 369872937 /nfs/dbraw/zinc/87/29/37/369872937.db2.gz NJUCVNSBIGUTRI-YOGCLGLASA-N 1 2 247.342 1.752 20 0 BDADLO C[C@H](NC(=O)Cc1ccncc1)c1[nH+]ccn1C ZINC000620597914 369948932 /nfs/dbraw/zinc/94/89/32/369948932.db2.gz SSJYCQNCWOXFBR-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO C[C@H](NC(=O)COCC1CC1)c1[nH+]ccn1C ZINC000620597556 369949193 /nfs/dbraw/zinc/94/91/93/369949193.db2.gz XDAGJPVCDQQDEA-VIFPVBQESA-N 1 2 237.303 1.024 20 0 BDADLO C[C@H](NC(=O)CCC(F)(F)F)c1[nH+]ccn1C ZINC000620601772 369950271 /nfs/dbraw/zinc/95/02/71/369950271.db2.gz ZIEKALKVIWMSHZ-ZETCQYMHSA-N 1 2 249.236 1.940 20 0 BDADLO C[C@@H](NC(=O)C1(C)CC1)c1[nH+]ccn1C ZINC000620603194 369950645 /nfs/dbraw/zinc/95/06/45/369950645.db2.gz IKJMKIPLPIBLJY-MRVPVSSYSA-N 1 2 207.277 1.397 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncccc2O)CCC1=O ZINC000568166095 326316213 /nfs/dbraw/zinc/31/62/13/326316213.db2.gz CLUAATLLMHWWCR-VIFPVBQESA-N 1 2 220.272 1.198 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC1(C)C)c1[nH+]ccn1C ZINC000620603778 369951642 /nfs/dbraw/zinc/95/16/42/369951642.db2.gz NHIYWUMOKXKWIX-RKDXNWHRSA-N 1 2 221.304 1.643 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncccc2O)CCC1=O ZINC000568166095 326316215 /nfs/dbraw/zinc/31/62/15/326316215.db2.gz CLUAATLLMHWWCR-VIFPVBQESA-N 1 2 220.272 1.198 20 0 BDADLO Cc1ccnc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000620605687 369954103 /nfs/dbraw/zinc/95/41/03/369954103.db2.gz IURXZZJKCPMJHD-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO CO[C@@H](C(=O)N[C@H](C)c1[nH+]ccn1C)C1CC1 ZINC000620605782 369954816 /nfs/dbraw/zinc/95/48/16/369954816.db2.gz KCXXCVFUWGNAJH-PSASIEDQSA-N 1 2 237.303 1.022 20 0 BDADLO Cc1nc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c(C)o1 ZINC000620607529 369955681 /nfs/dbraw/zinc/95/56/81/369955681.db2.gz HPWCLLSMXCXIDR-ZETCQYMHSA-N 1 2 248.286 1.516 20 0 BDADLO C[C@H](NC(=O)c1ccsn1)c1[nH+]ccn1C ZINC000620607029 369955883 /nfs/dbraw/zinc/95/58/83/369955883.db2.gz DMHHCWRQOYKLGQ-ZETCQYMHSA-N 1 2 236.300 1.368 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)c1[nH+]ccn1C ZINC000620609529 369956753 /nfs/dbraw/zinc/95/67/53/369956753.db2.gz SEFINOZJGNYOLZ-HTQZYQBOSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)(F)F ZINC000620609531 369956956 /nfs/dbraw/zinc/95/69/56/369956956.db2.gz SEFINOZJGNYOLZ-SFYZADRCSA-N 1 2 245.273 1.889 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@H]3CCCO3)cc2[nH+]1 ZINC000620648095 369972020 /nfs/dbraw/zinc/97/20/20/369972020.db2.gz UCQIGITUOKEDHC-LLVKDONJSA-N 1 2 245.282 1.760 20 0 BDADLO Cc1cn(C)nc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000620926645 370061553 /nfs/dbraw/zinc/06/15/53/370061553.db2.gz OYQPMIFUDSRNIO-SNVBAGLBSA-N 1 2 247.302 1.515 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000621045670 370081212 /nfs/dbraw/zinc/08/12/12/370081212.db2.gz QOSIDTYGXJWRJQ-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CN(CC1CCC1)C(=O)NCCn1cc[nH+]c1 ZINC000111787660 370173458 /nfs/dbraw/zinc/17/34/58/370173458.db2.gz MYDFHWLGOVYSPW-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621212343 370154833 /nfs/dbraw/zinc/15/48/33/370154833.db2.gz KHDYLQWKFUFNRW-IQLKVPPVSA-N 1 2 245.326 1.456 20 0 BDADLO Cn1cc(NCc2[nH]cc[nH+]2)c(C2CC2)n1 ZINC000309525982 370221946 /nfs/dbraw/zinc/22/19/46/370221946.db2.gz CFTSZSNCBISLTO-UHFFFAOYSA-N 1 2 217.276 1.633 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cc[nH]n2)nn1C ZINC000309752034 370253205 /nfs/dbraw/zinc/25/32/05/370253205.db2.gz GZKSQFDCJDXYEQ-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO Cc1nc(NCC[C@H]2CC2(F)F)cc[nH+]1 ZINC000621345285 370278913 /nfs/dbraw/zinc/27/89/13/370278913.db2.gz HZQJBFUJYNLRME-QMMMGPOBSA-N 1 2 213.231 1.664 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)COC)C(=O)OC(C)(C)C ZINC000309992504 370286182 /nfs/dbraw/zinc/28/61/82/370286182.db2.gz BJCYBFUCBXZDIM-UWVGGRQHSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373435 370313523 /nfs/dbraw/zinc/31/35/23/370313523.db2.gz IIKVQUIDDKZJRY-KXUCPTDWSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373435 370313528 /nfs/dbraw/zinc/31/35/28/370313528.db2.gz IIKVQUIDDKZJRY-KXUCPTDWSA-N 1 2 241.360 1.549 20 0 BDADLO COC1(C[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000276944476 326333779 /nfs/dbraw/zinc/33/37/79/326333779.db2.gz HVCXIBGJANHVBO-UHFFFAOYSA-N 1 2 209.293 1.459 20 0 BDADLO Cn1cc(Nc2cc(-n3cc[nH+]c3)ncn2)cn1 ZINC000077192481 370398026 /nfs/dbraw/zinc/39/80/26/370398026.db2.gz AXLSOVWRTSFMBB-UHFFFAOYSA-N 1 2 241.258 1.139 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CC(C)(C)O1 ZINC000065281414 370416737 /nfs/dbraw/zinc/41/67/37/370416737.db2.gz HTHCBMRPUGLGLL-JTQLQIEISA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC(C)(C)O1 ZINC000065281414 370416743 /nfs/dbraw/zinc/41/67/43/370416743.db2.gz HTHCBMRPUGLGLL-JTQLQIEISA-N 1 2 240.347 1.107 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000621710641 370456376 /nfs/dbraw/zinc/45/63/76/370456376.db2.gz KKGDHZLMVVZFSH-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H](C)C1 ZINC000621710641 370456382 /nfs/dbraw/zinc/45/63/82/370456382.db2.gz KKGDHZLMVVZFSH-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000621713616 370460895 /nfs/dbraw/zinc/46/08/95/370460895.db2.gz PFJVKSIZGAUNPB-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000621713616 370460897 /nfs/dbraw/zinc/46/08/97/370460897.db2.gz PFJVKSIZGAUNPB-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000621718109 370468127 /nfs/dbraw/zinc/46/81/27/370468127.db2.gz YQXKDCFTMKEAEW-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000621718109 370468129 /nfs/dbraw/zinc/46/81/29/370468129.db2.gz YQXKDCFTMKEAEW-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2ncsc2C1 ZINC000621724796 370477209 /nfs/dbraw/zinc/47/72/09/370477209.db2.gz UJYFBILVVXLPHE-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2ncsc2C1 ZINC000621724796 370477211 /nfs/dbraw/zinc/47/72/11/370477211.db2.gz UJYFBILVVXLPHE-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1nccnc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000621727678 370480217 /nfs/dbraw/zinc/48/02/17/370480217.db2.gz MENCHCJORULVOT-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO Cc1nccnc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000621727678 370480219 /nfs/dbraw/zinc/48/02/19/370480219.db2.gz MENCHCJORULVOT-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000568430707 326356637 /nfs/dbraw/zinc/35/66/37/326356637.db2.gz DBOUMBSAHXSKFS-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)CCCNc1cc(CC)[nH+]cn1 ZINC000078597883 370580274 /nfs/dbraw/zinc/58/02/74/370580274.db2.gz QJKRAJCWWUIFBE-UHFFFAOYSA-N 1 2 237.303 1.794 20 0 BDADLO CC(C)(C(=O)NCC1(C)CC1)c1c[nH]c[nH+]1 ZINC000621900205 370588945 /nfs/dbraw/zinc/58/89/45/370588945.db2.gz VSXWQAHSTLKSPK-UHFFFAOYSA-N 1 2 221.304 1.604 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@H](C)C2(F)F)c(C)c[nH+]1 ZINC000568497268 326359737 /nfs/dbraw/zinc/35/97/37/326359737.db2.gz NKLQFHZOWNBPPN-WPRPVWTQSA-N 1 2 240.253 1.960 20 0 BDADLO CC(C)=CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621970556 370628945 /nfs/dbraw/zinc/62/89/45/370628945.db2.gz IIHYENOVTJXPIO-UHFFFAOYSA-N 1 2 221.304 1.770 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000621933673 370608159 /nfs/dbraw/zinc/60/81/59/370608159.db2.gz QFWUTQICAJLRDC-MRVPVSSYSA-N 1 2 247.302 1.288 20 0 BDADLO COc1ccc[nH+]c1N(C)CC(=O)N1CCCC1 ZINC000623818850 371108480 /nfs/dbraw/zinc/10/84/80/371108480.db2.gz FHLYIYHSMLBYCV-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cscn1 ZINC000569276638 326398647 /nfs/dbraw/zinc/39/86/47/326398647.db2.gz SSHKBKMRJYZAQF-NSHDSACASA-N 1 2 244.360 1.361 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)[C@@H]1CCCCO1 ZINC000623961600 371198677 /nfs/dbraw/zinc/19/86/77/371198677.db2.gz IZWAFUCQNOBPMJ-IUCAKERBSA-N 1 2 223.263 1.161 20 0 BDADLO CCO[C@@H](C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000624075674 371294072 /nfs/dbraw/zinc/29/40/72/371294072.db2.gz RKSBQSDPWFSVDY-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@H]([NH2+]Cc1ccns1)c1ccn(C)n1 ZINC000624046582 371270805 /nfs/dbraw/zinc/27/08/05/371270805.db2.gz CDDQVLSVPOQDGK-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO COc1ccc[nH+]c1NCC1(CO)CCC1 ZINC000624099126 371304514 /nfs/dbraw/zinc/30/45/14/371304514.db2.gz DWXZESPTJIZESA-UHFFFAOYSA-N 1 2 222.288 1.665 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](C)c1ncn(C)n1)OC ZINC000391830854 371338838 /nfs/dbraw/zinc/33/88/38/371338838.db2.gz PJEHKCVEQYHJEC-ZJUUUORDSA-N 1 2 226.324 1.281 20 0 BDADLO Cc1nc(N2CCC(=O)CC(C)(C)C2)cc[nH+]1 ZINC000624529476 371533826 /nfs/dbraw/zinc/53/38/26/371533826.db2.gz WMDNPIGGLPWRIA-UHFFFAOYSA-N 1 2 233.315 1.981 20 0 BDADLO Cn1nc2c(c1C[NH2+]Cc1ccon1)CCCC2 ZINC000631081923 371576054 /nfs/dbraw/zinc/57/60/54/371576054.db2.gz FBWUKVLDXWPXLY-UHFFFAOYSA-N 1 2 246.314 1.577 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)c(C)[nH]1 ZINC000627366491 371585297 /nfs/dbraw/zinc/58/52/97/371585297.db2.gz SQGRTSFYSQBHAU-UHFFFAOYSA-N 1 2 244.298 1.553 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)c(C)[nH]1 ZINC000627366491 371585305 /nfs/dbraw/zinc/58/53/05/371585305.db2.gz SQGRTSFYSQBHAU-UHFFFAOYSA-N 1 2 244.298 1.553 20 0 BDADLO O=C(C1=CCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627368732 371585988 /nfs/dbraw/zinc/58/59/88/371585988.db2.gz BIYHLSOESSWMGG-UHFFFAOYSA-N 1 2 217.272 1.405 20 0 BDADLO O=C(C1=CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627368732 371585992 /nfs/dbraw/zinc/58/59/92/371585992.db2.gz BIYHLSOESSWMGG-UHFFFAOYSA-N 1 2 217.272 1.405 20 0 BDADLO CCc1nc(C(=O)N2CCc3[nH]c[nH+]c3C2)co1 ZINC000627370119 371588879 /nfs/dbraw/zinc/58/88/79/371588879.db2.gz ODSBGITWPCCPRQ-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO CCc1nc(C(=O)N2CCc3[nH+]c[nH]c3C2)co1 ZINC000627370119 371588887 /nfs/dbraw/zinc/58/88/87/371588887.db2.gz ODSBGITWPCCPRQ-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO O=C(C1CC2(CC2)C1)N1CCc2[nH]c[nH+]c2C1 ZINC000627375171 371592639 /nfs/dbraw/zinc/59/26/39/371592639.db2.gz NKLKURWNOWCWFL-UHFFFAOYSA-N 1 2 231.299 1.485 20 0 BDADLO O=C(C1CC2(CC2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000627375171 371592644 /nfs/dbraw/zinc/59/26/44/371592644.db2.gz NKLKURWNOWCWFL-UHFFFAOYSA-N 1 2 231.299 1.485 20 0 BDADLO CC/C=C\CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627603835 371773859 /nfs/dbraw/zinc/77/38/59/371773859.db2.gz IQOAZZOSFKILON-RXNFCKPNSA-N 1 2 247.342 1.836 20 0 BDADLO CCC1CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627709162 371869231 /nfs/dbraw/zinc/86/92/31/371869231.db2.gz DAVBBNDTBJQHGY-GFCCVEGCSA-N 1 2 247.342 1.622 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccc[nH]1 ZINC000132870716 371941370 /nfs/dbraw/zinc/94/13/70/371941370.db2.gz ORBIEOONVYMQKZ-UHFFFAOYSA-N 1 2 217.228 1.671 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](CO)CC1 ZINC000276563102 181834393 /nfs/dbraw/zinc/83/43/93/181834393.db2.gz JGMQJLVWPFWROW-KALFGTNCSA-N 1 2 249.314 1.090 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)CC[S@](C)=O ZINC000228266479 372010241 /nfs/dbraw/zinc/01/02/41/372010241.db2.gz BCUDCQVKHSYAKD-GLSBUQGYSA-N 1 2 243.376 1.526 20 0 BDADLO CCc1cc(N[C@H](C)[C@H](CO)SC)nc[nH+]1 ZINC000218891863 372164021 /nfs/dbraw/zinc/16/40/21/372164021.db2.gz CUUOZHZEADLMJS-SCZZXKLOSA-N 1 2 241.360 1.563 20 0 BDADLO CCC[C@@H](C)[C@@H]1CCCN1c1nc(C)[nH+]c(N)n1 ZINC000631169808 372215985 /nfs/dbraw/zinc/21/59/85/372215985.db2.gz JDXSKSIGGBJTOZ-KOLCDFICSA-N 1 2 249.362 1.998 20 0 BDADLO CCC[C@@H](C)[C@@H]1CCCN1c1nc(N)nc(C)[nH+]1 ZINC000631169808 372215990 /nfs/dbraw/zinc/21/59/90/372215990.db2.gz JDXSKSIGGBJTOZ-KOLCDFICSA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N2C[C@@H](C)CC(C)(C)C2)nc(N)[nH+]1 ZINC000631203738 372233768 /nfs/dbraw/zinc/23/37/68/372233768.db2.gz CWDZFTYUSPXFAC-QMMMGPOBSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2C[C@@H](C)CC(C)(C)C2)[nH+]1 ZINC000631203738 372233777 /nfs/dbraw/zinc/23/37/77/372233777.db2.gz CWDZFTYUSPXFAC-QMMMGPOBSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nocc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000631217877 372239818 /nfs/dbraw/zinc/23/98/18/372239818.db2.gz GUCVDGPXINMFPA-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO Cc1nocc1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000631217877 372239823 /nfs/dbraw/zinc/23/98/23/372239823.db2.gz GUCVDGPXINMFPA-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO COCC1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000631334116 372300016 /nfs/dbraw/zinc/30/00/16/372300016.db2.gz YIWJFTGBRBGVAT-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1cocn1 ZINC000631259876 372265961 /nfs/dbraw/zinc/26/59/61/372265961.db2.gz DHNYYSVMRCWYMB-RNFRBKRXSA-N 1 2 206.167 1.715 20 0 BDADLO Cc1nc(N[C@H](C)c2cnccn2)cc[nH+]1 ZINC000631338875 372301971 /nfs/dbraw/zinc/30/19/71/372301971.db2.gz NIJNKZGBOKPSIH-MRVPVSSYSA-N 1 2 215.260 1.170 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000631294369 372280384 /nfs/dbraw/zinc/28/03/84/372280384.db2.gz LAZYJDBTMFCESV-JBLDHEPKSA-N 1 2 248.326 1.818 20 0 BDADLO CC(C)c1nc(N(C)CCF)nc(N(C)C)[nH+]1 ZINC000631294549 372280831 /nfs/dbraw/zinc/28/08/31/372280831.db2.gz GZTGFKBUONZRNK-UHFFFAOYSA-N 1 2 241.314 1.467 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N(C)CCF)[nH+]1 ZINC000631294549 372280835 /nfs/dbraw/zinc/28/08/35/372280835.db2.gz GZTGFKBUONZRNK-UHFFFAOYSA-N 1 2 241.314 1.467 20 0 BDADLO CCc1cc(N[C@H](C)c2nccc(N)n2)nc[nH+]1 ZINC000631354509 372309348 /nfs/dbraw/zinc/30/93/48/372309348.db2.gz KNYUAAQIVIJWJQ-MRVPVSSYSA-N 1 2 244.302 1.415 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000631464997 372378160 /nfs/dbraw/zinc/37/81/60/372378160.db2.gz PHWPMEIHGNLLRZ-FXBDTBDDSA-N 1 2 237.303 1.771 20 0 BDADLO Cc1cccc(CC(=O)NCCn2cc[nH+]c2)c1 ZINC000171152307 372390466 /nfs/dbraw/zinc/39/04/66/372390466.db2.gz AFKWROKINJYBMD-UHFFFAOYSA-N 1 2 243.310 1.550 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000631594589 372447397 /nfs/dbraw/zinc/44/73/97/372447397.db2.gz MPHHTBOKRRWVFN-FXBDTBDDSA-N 1 2 237.303 1.148 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NCc1cocn1 ZINC000631651401 372482234 /nfs/dbraw/zinc/48/22/34/372482234.db2.gz PWQBBMRPVLFREA-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000355459138 181941526 /nfs/dbraw/zinc/94/15/26/181941526.db2.gz LMFGJMDNQCABRJ-NSHDSACASA-N 1 2 233.315 1.601 20 0 BDADLO CCC[C@@H](C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142593 372772147 /nfs/dbraw/zinc/77/21/47/372772147.db2.gz FUYPAYPJJSHHCF-MRVPVSSYSA-N 1 2 231.321 1.018 20 0 BDADLO CCC[C@H](C)S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632142600 372779311 /nfs/dbraw/zinc/77/93/11/372779311.db2.gz FUYPAYPJJSHHCF-QMMMGPOBSA-N 1 2 231.321 1.018 20 0 BDADLO O=C(COc1ccsc1)NCc1[nH]cc[nH+]1 ZINC000337513560 182006352 /nfs/dbraw/zinc/00/63/52/182006352.db2.gz SZIAUVWDHALLCT-UHFFFAOYSA-N 1 2 237.284 1.166 20 0 BDADLO O=C(Cc1ccco1)NCCCn1cc[nH+]c1 ZINC000169821611 182050024 /nfs/dbraw/zinc/05/00/24/182050024.db2.gz PARSMFBXJYAEPN-UHFFFAOYSA-N 1 2 233.271 1.225 20 0 BDADLO O=C(NC1CC[NH+](Cc2ccon2)CC1)C1CC1 ZINC000172650557 373033290 /nfs/dbraw/zinc/03/32/90/373033290.db2.gz KLIMUOMAOGUKJY-UHFFFAOYSA-N 1 2 249.314 1.165 20 0 BDADLO O=C(Cc1cccs1)N1CCn2c[nH+]cc2C1 ZINC000290887491 182051664 /nfs/dbraw/zinc/05/16/64/182051664.db2.gz FIEQQBBVHIKIMF-UHFFFAOYSA-N 1 2 247.323 1.530 20 0 BDADLO O=C(Cc1cccs1)NCCn1cc[nH+]c1 ZINC000041904439 182052690 /nfs/dbraw/zinc/05/26/90/182052690.db2.gz YFRYGRMRDXQNRQ-UHFFFAOYSA-N 1 2 235.312 1.304 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1CSC1 ZINC000632811229 373158003 /nfs/dbraw/zinc/15/80/03/373158003.db2.gz UXHRRKKNDRJSMO-UHFFFAOYSA-N 1 2 233.296 1.636 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC1(C)C ZINC000632888289 373211536 /nfs/dbraw/zinc/21/15/36/373211536.db2.gz LHJZHMAYUQODQF-QMMMGPOBSA-N 1 2 222.292 1.350 20 0 BDADLO O=C(N1CCC[C@H]1c1[nH]cc[nH+]1)C(F)(F)F ZINC000371513423 182081490 /nfs/dbraw/zinc/08/14/90/182081490.db2.gz FATLZESOYYUHGN-LURJTMIESA-N 1 2 233.193 1.636 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1CSC1 ZINC000633191844 373334023 /nfs/dbraw/zinc/33/40/23/373334023.db2.gz XFPCTPRVDAMZIF-UHFFFAOYSA-N 1 2 238.312 1.069 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1C(F)F ZINC000633240141 373396367 /nfs/dbraw/zinc/39/63/67/373396367.db2.gz VGVXTJSJJVHASE-APPZFPTMSA-N 1 2 243.257 1.454 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1C(F)F ZINC000633240141 373396371 /nfs/dbraw/zinc/39/63/71/373396371.db2.gz VGVXTJSJJVHASE-APPZFPTMSA-N 1 2 243.257 1.454 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC(C)(F)F ZINC000633280128 373443176 /nfs/dbraw/zinc/44/31/76/373443176.db2.gz YXRPEZQOGNVHTC-UHFFFAOYSA-N 1 2 232.234 1.206 20 0 BDADLO Cc1nocc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000633280410 373445347 /nfs/dbraw/zinc/44/53/47/373445347.db2.gz OIDADODCRKBXLZ-SECBINFHSA-N 1 2 248.286 1.447 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C2CSC2)c2[nH+]ccn21 ZINC000633333825 373479847 /nfs/dbraw/zinc/47/98/47/373479847.db2.gz MBETWWBOMFAFPE-VXNVDRBHSA-N 1 2 237.328 1.368 20 0 BDADLO C[C@@H](NC(=O)NCC(C)(C)F)c1[nH+]ccn1C ZINC000633358738 373493587 /nfs/dbraw/zinc/49/35/87/373493587.db2.gz SJAKLGGYGOYCOR-MRVPVSSYSA-N 1 2 242.298 1.528 20 0 BDADLO Cc1conc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179133625 205649732 /nfs/dbraw/zinc/64/97/32/205649732.db2.gz MJZBBTOVJLAJEI-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCSCC2)o1 ZINC000069608640 373524073 /nfs/dbraw/zinc/52/40/73/373524073.db2.gz LEXPBNLMOGFRMJ-ZETCQYMHSA-N 1 2 213.306 1.488 20 0 BDADLO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)C(=O)OC ZINC000182344503 205673318 /nfs/dbraw/zinc/67/33/18/205673318.db2.gz HYUOTXGPCJFWOS-GARJFASQSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000633602751 373620054 /nfs/dbraw/zinc/62/00/54/373620054.db2.gz QNOSEWBEBXZONV-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000633602751 373620057 /nfs/dbraw/zinc/62/00/57/373620057.db2.gz QNOSEWBEBXZONV-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000633602709 373620189 /nfs/dbraw/zinc/62/01/89/373620189.db2.gz PLPOQIHJEKKVKZ-YWVKMMECSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000633602709 373620192 /nfs/dbraw/zinc/62/01/92/373620192.db2.gz PLPOQIHJEKKVKZ-YWVKMMECSA-N 1 2 237.303 1.182 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC1(O)CCC1 ZINC000633600852 373620573 /nfs/dbraw/zinc/62/05/73/373620573.db2.gz FDSAJZQFAUKWFL-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC1(O)CCC1 ZINC000633600852 373620579 /nfs/dbraw/zinc/62/05/79/373620579.db2.gz FDSAJZQFAUKWFL-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1ccoc1 ZINC000115160056 182169545 /nfs/dbraw/zinc/16/95/45/182169545.db2.gz HIGXWLDNIXDMDS-UHFFFAOYSA-N 1 2 245.282 1.907 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1ccn[nH]1 ZINC000115159974 182169668 /nfs/dbraw/zinc/16/96/68/182169668.db2.gz ZBKBYSMJCQVJJK-UHFFFAOYSA-N 1 2 245.286 1.037 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1cc[nH]c1 ZINC000069154498 182178973 /nfs/dbraw/zinc/17/89/73/182178973.db2.gz IXTQAJBPQHUHOZ-UHFFFAOYSA-N 1 2 218.260 1.031 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccnc(F)c1 ZINC000041038942 182179542 /nfs/dbraw/zinc/17/95/42/182179542.db2.gz AOSDXWSWXIHKCI-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CCSCC1 ZINC000264851015 182215691 /nfs/dbraw/zinc/21/56/91/182215691.db2.gz MTJJXWVYSPVHBG-UHFFFAOYSA-N 1 2 239.344 1.143 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]1C1CC1 ZINC000333449134 182273167 /nfs/dbraw/zinc/27/31/67/182273167.db2.gz NGYGJQFFKLIGKF-RKDXNWHRSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250245700 182273336 /nfs/dbraw/zinc/27/33/36/182273336.db2.gz LPEOCGODDCJUKE-MBTKJCJQSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc[nH]c1C1CC1 ZINC000283300720 182273399 /nfs/dbraw/zinc/27/33/99/182273399.db2.gz DAPSBZZDVSZACD-UHFFFAOYSA-N 1 2 230.271 1.545 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc(C2CC2)no1 ZINC000282556048 182274151 /nfs/dbraw/zinc/27/41/51/182274151.db2.gz ZLRZWCXPWDSLKK-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO Cc1nc(C)c(C[NH2+]CC(F)(F)CO)s1 ZINC000183885327 206011030 /nfs/dbraw/zinc/01/10/30/206011030.db2.gz DETTZVNZLARUNZ-UHFFFAOYSA-N 1 2 236.287 1.477 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000428233340 206056249 /nfs/dbraw/zinc/05/62/49/206056249.db2.gz RHZJFGADMLSEAU-UTUOFQBUSA-N 1 2 233.315 1.709 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000428233340 206056251 /nfs/dbraw/zinc/05/62/51/206056251.db2.gz RHZJFGADMLSEAU-UTUOFQBUSA-N 1 2 233.315 1.709 20 0 BDADLO CCC[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000440484384 206078701 /nfs/dbraw/zinc/07/87/01/206078701.db2.gz HPWUHQKKTBMELB-UHFFFAOYSA-N 1 2 226.299 1.622 20 0 BDADLO CCC[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000440484384 206078704 /nfs/dbraw/zinc/07/87/04/206078704.db2.gz HPWUHQKKTBMELB-UHFFFAOYSA-N 1 2 226.299 1.622 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000169798151 182314450 /nfs/dbraw/zinc/31/44/50/182314450.db2.gz GJMWMEKALIYLID-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000450451254 206103322 /nfs/dbraw/zinc/10/33/22/206103322.db2.gz HGSJNEIICXDNCO-GFCCVEGCSA-N 1 2 236.319 1.197 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000450451254 206103325 /nfs/dbraw/zinc/10/33/25/206103325.db2.gz HGSJNEIICXDNCO-GFCCVEGCSA-N 1 2 236.319 1.197 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000450451254 206103329 /nfs/dbraw/zinc/10/33/29/206103329.db2.gz HGSJNEIICXDNCO-GFCCVEGCSA-N 1 2 236.319 1.197 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000450451254 206103333 /nfs/dbraw/zinc/10/33/33/206103333.db2.gz HGSJNEIICXDNCO-GFCCVEGCSA-N 1 2 236.319 1.197 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000450451254 206103336 /nfs/dbraw/zinc/10/33/36/206103336.db2.gz HGSJNEIICXDNCO-GFCCVEGCSA-N 1 2 236.319 1.197 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000450451254 206103341 /nfs/dbraw/zinc/10/33/41/206103341.db2.gz HGSJNEIICXDNCO-GFCCVEGCSA-N 1 2 236.319 1.197 20 0 BDADLO Cn1cnnc1C[N@H+](C)CC1=CCCCC1 ZINC000451027950 206106533 /nfs/dbraw/zinc/10/65/33/206106533.db2.gz IFLRBTLHCJTDGH-UHFFFAOYSA-N 1 2 220.320 1.747 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CC1=CCCCC1 ZINC000451027950 206106536 /nfs/dbraw/zinc/10/65/36/206106536.db2.gz IFLRBTLHCJTDGH-UHFFFAOYSA-N 1 2 220.320 1.747 20 0 BDADLO COC1C[NH+](C/C=C/c2ccncc2)C1 ZINC000459578410 206134918 /nfs/dbraw/zinc/13/49/18/206134918.db2.gz IFGBPBCNBHZXND-NSCUHMNNSA-N 1 2 204.273 1.425 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)NC1CC1 ZINC000281110634 182385055 /nfs/dbraw/zinc/38/50/55/182385055.db2.gz WTEIZLXRZXFMDH-UHFFFAOYSA-N 1 2 216.244 1.618 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1cscn1 ZINC000042866746 170205240 /nfs/dbraw/zinc/20/52/40/170205240.db2.gz CBEVXGXHSZFDQN-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000042866746 170205241 /nfs/dbraw/zinc/20/52/41/170205241.db2.gz CBEVXGXHSZFDQN-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)C1CCC1 ZINC000521993918 259581188 /nfs/dbraw/zinc/58/11/88/259581188.db2.gz CPCGQESLUXPTSY-VIFPVBQESA-N 1 2 225.317 1.154 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000178390455 134309173 /nfs/dbraw/zinc/30/91/73/134309173.db2.gz KLEQJJHASZZQKF-VIFPVBQESA-N 1 2 207.277 1.045 20 0 BDADLO CCOCCN(CC)C(=O)CCn1cc[nH+]c1 ZINC000264449723 170393041 /nfs/dbraw/zinc/39/30/41/170393041.db2.gz CSDGVFLMKWAGGB-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO CCOCC[N@H+](CC)Cc1[nH]ncc1C ZINC000290434648 170396782 /nfs/dbraw/zinc/39/67/82/170396782.db2.gz NGOLELARIPAWMJ-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CCOCC[N@@H+](CC)Cc1[nH]ncc1C ZINC000290434648 170396784 /nfs/dbraw/zinc/39/67/84/170396784.db2.gz NGOLELARIPAWMJ-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO O=C1NCCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000330328417 183025476 /nfs/dbraw/zinc/02/54/76/183025476.db2.gz WAYROIZYTCYZRC-GFCCVEGCSA-N 1 2 242.282 1.583 20 0 BDADLO OCC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340661455 183040857 /nfs/dbraw/zinc/04/08/57/183040857.db2.gz LLAQYKZAZSUPHV-UHFFFAOYSA-N 1 2 236.315 1.756 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csnn1 ZINC000308826170 183032486 /nfs/dbraw/zinc/03/24/86/183032486.db2.gz SFVWITCNNLUKKO-ULKQDVFKSA-N 1 2 225.317 1.026 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csnn1 ZINC000308826170 183032490 /nfs/dbraw/zinc/03/24/90/183032490.db2.gz SFVWITCNNLUKKO-ULKQDVFKSA-N 1 2 225.317 1.026 20 0 BDADLO OCC[N@H+](Cc1ncc(C2CC2)o1)C1CC1 ZINC000270461342 183072989 /nfs/dbraw/zinc/07/29/89/183072989.db2.gz AGQUAJZLFJIWER-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO OCC[N@@H+](Cc1ncc(C2CC2)o1)C1CC1 ZINC000270461342 183072991 /nfs/dbraw/zinc/07/29/91/183072991.db2.gz AGQUAJZLFJIWER-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO OCC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000271840947 183091563 /nfs/dbraw/zinc/09/15/63/183091563.db2.gz QWNSGGIZECGQNA-GFCCVEGCSA-N 1 2 249.339 1.751 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000354689157 183117719 /nfs/dbraw/zinc/11/77/19/183117719.db2.gz HEBSHWYTXROIET-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000354689157 183117721 /nfs/dbraw/zinc/11/77/21/183117721.db2.gz HEBSHWYTXROIET-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000086776575 183120755 /nfs/dbraw/zinc/12/07/55/183120755.db2.gz VMZNAJDWNWIWST-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC000086776575 183120758 /nfs/dbraw/zinc/12/07/58/183120758.db2.gz VMZNAJDWNWIWST-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000294114169 183121076 /nfs/dbraw/zinc/12/10/76/183121076.db2.gz PHTQTSJPUUXCGU-LLVKDONJSA-N 1 2 247.342 1.953 20 0 BDADLO CCCC[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)OC ZINC000300423420 169013252 /nfs/dbraw/zinc/01/32/52/169013252.db2.gz RHYHXKLPFCHVMB-NTZNESFSSA-N 1 2 243.347 1.875 20 0 BDADLO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccn[nH]1 ZINC000271234644 183105490 /nfs/dbraw/zinc/10/54/90/183105490.db2.gz RSSOBDGYMUOYBM-CYBMUJFWSA-N 1 2 249.289 1.242 20 0 BDADLO OC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccccc1 ZINC000294261725 183109955 /nfs/dbraw/zinc/10/99/55/183109955.db2.gz XIVOWVQNVWCMKB-CHWSQXEVSA-N 1 2 243.310 1.651 20 0 BDADLO OC[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccccc1 ZINC000294261742 183142926 /nfs/dbraw/zinc/14/29/26/183142926.db2.gz XIVOWVQNVWCMKB-STQMWFEESA-N 1 2 243.310 1.651 20 0 BDADLO OCC1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186204777 183124799 /nfs/dbraw/zinc/12/47/99/183124799.db2.gz NCHCIWIIQWXREZ-SECBINFHSA-N 1 2 225.263 1.346 20 0 BDADLO OCC1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186204777 183124801 /nfs/dbraw/zinc/12/48/01/183124801.db2.gz NCHCIWIIQWXREZ-SECBINFHSA-N 1 2 225.263 1.346 20 0 BDADLO CCCCc1noc([C@H](C)[N@H+](C)CCO)n1 ZINC000305740989 169032225 /nfs/dbraw/zinc/03/22/25/169032225.db2.gz NFMULZPUDGZFDH-VIFPVBQESA-N 1 2 227.308 1.397 20 0 BDADLO CCCCc1noc([C@H](C)[N@@H+](C)CCO)n1 ZINC000305740989 169032226 /nfs/dbraw/zinc/03/22/26/169032226.db2.gz NFMULZPUDGZFDH-VIFPVBQESA-N 1 2 227.308 1.397 20 0 BDADLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000114486053 169033079 /nfs/dbraw/zinc/03/30/79/169033079.db2.gz UPWZNZXLYIJKAO-VHSXEESVSA-N 1 2 239.319 1.540 20 0 BDADLO CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000114486053 169033081 /nfs/dbraw/zinc/03/30/81/169033081.db2.gz UPWZNZXLYIJKAO-VHSXEESVSA-N 1 2 239.319 1.540 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1[C@@H]1C=CCCC1 ZINC000366689578 183147605 /nfs/dbraw/zinc/14/76/05/183147605.db2.gz PNIDQYJTRSLNMM-NXEZZACHSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1[C@@H]1C=CCCC1 ZINC000366689578 183147607 /nfs/dbraw/zinc/14/76/07/183147607.db2.gz PNIDQYJTRSLNMM-NXEZZACHSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccon2)CCC1(F)F ZINC000361407230 183154770 /nfs/dbraw/zinc/15/47/70/183154770.db2.gz DJKKOFQBVAZMLX-MRVPVSSYSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccon2)CCC1(F)F ZINC000361407230 183154771 /nfs/dbraw/zinc/15/47/71/183154771.db2.gz DJKKOFQBVAZMLX-MRVPVSSYSA-N 1 2 232.230 1.124 20 0 BDADLO O[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(F)(F)F ZINC000307934148 183177754 /nfs/dbraw/zinc/17/77/54/183177754.db2.gz IMHNSSRVJFZZCS-HLTSFMKQSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(F)(F)F ZINC000307934148 183177757 /nfs/dbraw/zinc/17/77/57/183177757.db2.gz IMHNSSRVJFZZCS-HLTSFMKQSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@@H](C[N@@H+]1CCOC[C@@H]1C1CC1)C(F)(F)F ZINC000121854857 183178332 /nfs/dbraw/zinc/17/83/32/183178332.db2.gz HHJSVPRLKBIQTE-BDAKNGLRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](C[N@H+]1CCOC[C@@H]1C1CC1)C(F)(F)F ZINC000121854857 183178335 /nfs/dbraw/zinc/17/83/35/183178335.db2.gz HHJSVPRLKBIQTE-BDAKNGLRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](COCc1ccccc1)Cn1cc[nH+]c1 ZINC000059136696 183182231 /nfs/dbraw/zinc/18/22/31/183182231.db2.gz CSLBVMGSDBMBDN-CYBMUJFWSA-N 1 2 232.283 1.461 20 0 BDADLO OCc1cccc(NCc2cncs2)[nH+]1 ZINC000308904942 183168211 /nfs/dbraw/zinc/16/82/11/183168211.db2.gz MGIAODHCLVKAOM-UHFFFAOYSA-N 1 2 221.285 1.643 20 0 BDADLO CCCN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000058217117 169054158 /nfs/dbraw/zinc/05/41/58/169054158.db2.gz FJNKJZKBNNETKX-UHFFFAOYSA-N 1 2 224.308 1.325 20 0 BDADLO CCCN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177780871 169055029 /nfs/dbraw/zinc/05/50/29/169055029.db2.gz MQTKJCBVCKTDCB-UHFFFAOYSA-N 1 2 246.314 1.886 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000112259594 183194186 /nfs/dbraw/zinc/19/41/86/183194186.db2.gz OTZVNSKXDCMXRV-SNVBAGLBSA-N 1 2 237.328 1.353 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000112259594 183194188 /nfs/dbraw/zinc/19/41/88/183194188.db2.gz OTZVNSKXDCMXRV-SNVBAGLBSA-N 1 2 237.328 1.353 20 0 BDADLO O[C@H](CN1CCC[C@H]1c1[nH]cc[nH+]1)C(F)(F)F ZINC000332409522 183222094 /nfs/dbraw/zinc/22/20/94/183222094.db2.gz NCQAMWNUOAPSTN-JGVFFNPUSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[N@@H+]1CCC[C@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409522 183222098 /nfs/dbraw/zinc/22/20/98/183222098.db2.gz NCQAMWNUOAPSTN-JGVFFNPUSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[N@H+]1CCC[C@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409522 183222100 /nfs/dbraw/zinc/22/21/00/183222100.db2.gz NCQAMWNUOAPSTN-JGVFFNPUSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)Cc1cccc(F)c1 ZINC000295110368 183224156 /nfs/dbraw/zinc/22/41/56/183224156.db2.gz LOXSHKATZNXPAE-ZDUSSCGKSA-N 1 2 249.289 1.242 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cccc(O)c1 ZINC000094687839 169100812 /nfs/dbraw/zinc/10/08/12/169100812.db2.gz JHBPBHXCHJJEPY-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cccc(O)c1 ZINC000094687839 169100813 /nfs/dbraw/zinc/10/08/13/169100813.db2.gz JHBPBHXCHJJEPY-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO O[C@H](Cc1ccccc1)Cn1cc[nH+]c1 ZINC000060167327 183227676 /nfs/dbraw/zinc/22/76/76/183227676.db2.gz WHKHJPOJUKPSLA-GFCCVEGCSA-N 1 2 202.257 1.487 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cnn(C)c1C ZINC000268966189 169101683 /nfs/dbraw/zinc/10/16/83/169101683.db2.gz YUMWULONFJMXNE-UHFFFAOYSA-N 1 2 239.319 1.114 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cnn(C)c1C ZINC000268966189 169101686 /nfs/dbraw/zinc/10/16/86/169101686.db2.gz YUMWULONFJMXNE-UHFFFAOYSA-N 1 2 239.319 1.114 20 0 BDADLO O[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC12CC2 ZINC000336321472 183245085 /nfs/dbraw/zinc/24/50/85/183245085.db2.gz ZCODNMLBIUCJQZ-NSHDSACASA-N 1 2 229.283 1.524 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cocn1 ZINC000192324061 183249416 /nfs/dbraw/zinc/24/94/16/183249416.db2.gz FLETUTBJYOZZGC-STQMWFEESA-N 1 2 230.267 1.423 20 0 BDADLO O[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000293901999 183235129 /nfs/dbraw/zinc/23/51/29/183235129.db2.gz COXKHDLNBIGRKX-JTQLQIEISA-N 1 2 231.299 1.914 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CCC[C@H](O)C2)c1F ZINC000281047316 183273167 /nfs/dbraw/zinc/27/31/67/183273167.db2.gz QMOIIKUDPUSDTI-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CCC[C@H](O)C2)c1F ZINC000281047316 183273169 /nfs/dbraw/zinc/27/31/69/183273169.db2.gz QMOIIKUDPUSDTI-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO CCCN(CCC)C(=O)CCc1c[nH+]c[nH]1 ZINC000074727037 169141639 /nfs/dbraw/zinc/14/16/39/169141639.db2.gz GMNNLEIKOXXTCH-UHFFFAOYSA-N 1 2 223.320 1.991 20 0 BDADLO CCCN(CCC)C(=O)CCc1c[nH]c[nH+]1 ZINC000074727037 169141641 /nfs/dbraw/zinc/14/16/41/169141641.db2.gz GMNNLEIKOXXTCH-UHFFFAOYSA-N 1 2 223.320 1.991 20 0 BDADLO CCC[N@H+](CCc1ccnn1C)CC(F)F ZINC000276359711 169170179 /nfs/dbraw/zinc/17/01/79/169170179.db2.gz YGUWOPFBTRBOTD-UHFFFAOYSA-N 1 2 231.290 1.940 20 0 BDADLO CCC[N@@H+](CCc1ccnn1C)CC(F)F ZINC000276359711 169170180 /nfs/dbraw/zinc/17/01/80/169170180.db2.gz YGUWOPFBTRBOTD-UHFFFAOYSA-N 1 2 231.290 1.940 20 0 BDADLO c1c[nH]c(C[NH2+][C@H]2CCCc3cn[nH]c32)n1 ZINC000309704355 183324334 /nfs/dbraw/zinc/32/43/34/183324334.db2.gz UUKUAUGMNJKUSG-VIFPVBQESA-N 1 2 217.276 1.300 20 0 BDADLO CCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377600537 169195392 /nfs/dbraw/zinc/19/53/92/169195392.db2.gz YJHYRWUUKDKPIE-MRVPVSSYSA-N 1 2 210.281 1.100 20 0 BDADLO CCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377600537 169195394 /nfs/dbraw/zinc/19/53/94/169195394.db2.gz YJHYRWUUKDKPIE-MRVPVSSYSA-N 1 2 210.281 1.100 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CCC3)C2)on1 ZINC000270936187 183344551 /nfs/dbraw/zinc/34/45/51/183344551.db2.gz XQTPIBCPZXHZST-UHFFFAOYSA-N 1 2 208.261 1.430 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CCC3)C2)on1 ZINC000270936187 183344553 /nfs/dbraw/zinc/34/45/53/183344553.db2.gz XQTPIBCPZXHZST-UHFFFAOYSA-N 1 2 208.261 1.430 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@]23CCOC3)ccn1 ZINC000193716606 183344807 /nfs/dbraw/zinc/34/48/07/183344807.db2.gz LHHLWEZAABNGRO-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@]23CCOC3)ccn1 ZINC000193716606 183344808 /nfs/dbraw/zinc/34/48/08/183344808.db2.gz LHHLWEZAABNGRO-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)[nH]n1 ZINC000271465388 183350507 /nfs/dbraw/zinc/35/05/07/183350507.db2.gz UZOWGOOJRCKYQF-LLVKDONJSA-N 1 2 237.303 1.185 20 0 BDADLO c1cc(N2CCC3(C2)OCCO3)nc(C2CC2)[nH+]1 ZINC000112558261 183356279 /nfs/dbraw/zinc/35/62/79/183356279.db2.gz NSQAMMQHNXIHSS-UHFFFAOYSA-N 1 2 247.298 1.307 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)on1 ZINC000286280876 183363201 /nfs/dbraw/zinc/36/32/01/183363201.db2.gz UMMOWDXRUSDAGU-LLVKDONJSA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)on1 ZINC000286280876 183363202 /nfs/dbraw/zinc/36/32/02/183363202.db2.gz UMMOWDXRUSDAGU-LLVKDONJSA-N 1 2 218.260 1.735 20 0 BDADLO CCCNC(=O)NCc1c[nH+]ccc1OC ZINC000292259170 169237277 /nfs/dbraw/zinc/23/72/77/169237277.db2.gz FKUMJHLQOVIUKS-UHFFFAOYSA-N 1 2 223.276 1.299 20 0 BDADLO CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000163094385 169238594 /nfs/dbraw/zinc/23/85/94/169238594.db2.gz PUDPZUNDUXXUGH-LLVKDONJSA-N 1 2 248.330 1.370 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295676639 183362471 /nfs/dbraw/zinc/36/24/71/183362471.db2.gz BVFHDEGUECPFEG-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295676639 183362472 /nfs/dbraw/zinc/36/24/72/183362472.db2.gz BVFHDEGUECPFEG-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295676639 183362474 /nfs/dbraw/zinc/36/24/74/183362474.db2.gz BVFHDEGUECPFEG-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295676639 183362476 /nfs/dbraw/zinc/36/24/76/183362476.db2.gz BVFHDEGUECPFEG-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295676639 183362478 /nfs/dbraw/zinc/36/24/78/183362478.db2.gz BVFHDEGUECPFEG-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295676639 183362479 /nfs/dbraw/zinc/36/24/79/183362479.db2.gz BVFHDEGUECPFEG-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO CCC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000037386926 169273845 /nfs/dbraw/zinc/27/38/45/169273845.db2.gz GDOJPMWOTXNHNI-LLVKDONJSA-N 1 2 207.273 1.900 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000373064646 169299974 /nfs/dbraw/zinc/29/99/74/169299974.db2.gz AWKHPEZTAKKQFI-ZMLRMANQSA-N 1 2 241.331 1.485 20 0 BDADLO CCCOCC(=O)Nc1ccc(N)[nH+]c1 ZINC000226243014 169308003 /nfs/dbraw/zinc/30/80/03/169308003.db2.gz QWKILPCDILRCNJ-UHFFFAOYSA-N 1 2 209.249 1.029 20 0 BDADLO CCC[C@@H](CNc1nc[nH+]c(N)c1Cl)OC ZINC000294611004 169386061 /nfs/dbraw/zinc/38/60/61/169386061.db2.gz HVVAGZIGYKMRDO-ZETCQYMHSA-N 1 2 244.726 1.939 20 0 BDADLO CCC[C@@H](CNc1[nH+]cnc(N)c1Cl)OC ZINC000294611004 169386062 /nfs/dbraw/zinc/38/60/62/169386062.db2.gz HVVAGZIGYKMRDO-ZETCQYMHSA-N 1 2 244.726 1.939 20 0 BDADLO CC[C@@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336140704 535457558 /nfs/dbraw/zinc/45/75/58/535457558.db2.gz NNTJVLPOOHNRSI-GHMZBOCLSA-N 1 2 235.331 1.782 20 0 BDADLO CCC[C@@](C)(NCc1[nH+]ccn1C)C(=O)OC ZINC000111247006 383841669 /nfs/dbraw/zinc/84/16/69/383841669.db2.gz YHNJRXIBRZDALT-GFCCVEGCSA-N 1 2 239.319 1.242 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cn2ccsc2n1 ZINC000112345579 383918958 /nfs/dbraw/zinc/91/89/58/383918958.db2.gz AMUXDJFBPDXHFE-UHFFFAOYSA-N 1 2 247.327 1.419 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000050115307 383922331 /nfs/dbraw/zinc/92/23/31/383922331.db2.gz SYESZXYZNFKQTR-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000050115307 383922340 /nfs/dbraw/zinc/92/23/40/383922340.db2.gz SYESZXYZNFKQTR-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CCn1cc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000449348020 383926542 /nfs/dbraw/zinc/92/65/42/383926542.db2.gz ABIJGGIFGINENF-UHFFFAOYSA-N 1 2 221.304 1.266 20 0 BDADLO CCn1cc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000449348020 383926552 /nfs/dbraw/zinc/92/65/52/383926552.db2.gz ABIJGGIFGINENF-UHFFFAOYSA-N 1 2 221.304 1.266 20 0 BDADLO Cc1ccc(F)c(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088357889 383895286 /nfs/dbraw/zinc/89/52/86/383895286.db2.gz ZJWWYAFUXLMRJJ-NSHDSACASA-N 1 2 238.262 1.061 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)c(C)c1 ZINC000088357732 383897010 /nfs/dbraw/zinc/89/70/10/383897010.db2.gz FMIMUCOJSPSRLE-GFCCVEGCSA-N 1 2 234.299 1.230 20 0 BDADLO COc1cc(CNc2nc(C)[nH+]cc2C)ccn1 ZINC000564449224 383980581 /nfs/dbraw/zinc/98/05/81/383980581.db2.gz GDFRNLAEIDGFFN-UHFFFAOYSA-N 1 2 244.298 1.531 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH]c(C(=O)OC)c1)C(F)F ZINC000449365011 383995697 /nfs/dbraw/zinc/99/56/97/383995697.db2.gz UVZGSXLISBZKKF-MRVPVSSYSA-N 1 2 246.257 1.935 20 0 BDADLO COc1ccsc1C(=O)N1CC[NH+](C)CC1 ZINC000113196007 383971057 /nfs/dbraw/zinc/97/10/57/383971057.db2.gz FYQWGNMDFNARCL-UHFFFAOYSA-N 1 2 240.328 1.144 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CC2(CO)CC2)n1 ZINC000186793864 384018504 /nfs/dbraw/zinc/01/85/04/384018504.db2.gz SHSRMUOKBFLIKF-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000186793864 384018511 /nfs/dbraw/zinc/01/85/11/384018511.db2.gz SHSRMUOKBFLIKF-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000569422365 384005601 /nfs/dbraw/zinc/00/56/01/384005601.db2.gz DHKJUNHWEPEYGT-SNVBAGLBSA-N 1 2 238.335 1.021 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000569422365 384005603 /nfs/dbraw/zinc/00/56/03/384005603.db2.gz DHKJUNHWEPEYGT-SNVBAGLBSA-N 1 2 238.335 1.021 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000336505731 384029776 /nfs/dbraw/zinc/02/97/76/384029776.db2.gz ZGYNPBZSWHCOBD-RYUDHWBXSA-N 1 2 214.328 1.905 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000336505731 384029780 /nfs/dbraw/zinc/02/97/80/384029780.db2.gz ZGYNPBZSWHCOBD-RYUDHWBXSA-N 1 2 214.328 1.905 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCCCO1 ZINC000114461055 384038643 /nfs/dbraw/zinc/03/86/43/384038643.db2.gz SGXROWLDPRORRQ-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CCCCO1 ZINC000114461055 384038650 /nfs/dbraw/zinc/03/86/50/384038650.db2.gz SGXROWLDPRORRQ-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO CCCc1nsc(NCc2c[nH+]cn2C)n1 ZINC000292488594 384085346 /nfs/dbraw/zinc/08/53/46/384085346.db2.gz DXJGIZRSMYRSNQ-UHFFFAOYSA-N 1 2 237.332 1.836 20 0 BDADLO Cc1n[nH]cc1CNc1[nH+]cnc2c1cnn2C ZINC000038011999 384054236 /nfs/dbraw/zinc/05/42/36/384054236.db2.gz XYMVPRHDADVNAT-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BDADLO CC[C@@H](C[N@@H+]1CCO[C@H](C(F)(F)F)C1)OC ZINC000642687541 384070753 /nfs/dbraw/zinc/07/07/53/384070753.db2.gz UXFVGTSQGRZNJB-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@@H](C[N@H+]1CCO[C@H](C(F)(F)F)C1)OC ZINC000642687541 384070758 /nfs/dbraw/zinc/07/07/58/384070758.db2.gz UXFVGTSQGRZNJB-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000115160022 384070890 /nfs/dbraw/zinc/07/08/90/384070890.db2.gz ZZKPBMKUBVNECK-JTQLQIEISA-N 1 2 237.303 1.035 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(F)cc1 ZINC000049947959 384070963 /nfs/dbraw/zinc/07/09/63/384070963.db2.gz HDKCZMUYQSQALG-UHFFFAOYSA-N 1 2 225.263 1.821 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(F)cc1 ZINC000049947959 384070970 /nfs/dbraw/zinc/07/09/70/384070970.db2.gz HDKCZMUYQSQALG-UHFFFAOYSA-N 1 2 225.263 1.821 20 0 BDADLO C[C@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078591967 384075768 /nfs/dbraw/zinc/07/57/68/384075768.db2.gz DBYGJPLLPFHGSG-ZCFIWIBFSA-N 1 2 220.194 1.893 20 0 BDADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cccs1 ZINC000090970037 384077597 /nfs/dbraw/zinc/07/75/97/384077597.db2.gz QWMLWRNKCXYZNU-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO O=C(c1cccs1)N1CC[NH+](C2CC2)CC1 ZINC000070266221 384096790 /nfs/dbraw/zinc/09/67/90/384096790.db2.gz KAFCBKZGDYAMBJ-UHFFFAOYSA-N 1 2 236.340 1.668 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1cccnc1 ZINC000091075608 384098976 /nfs/dbraw/zinc/09/89/76/384098976.db2.gz NCANHCJYIFMXNI-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1cccnc1 ZINC000091075608 384098981 /nfs/dbraw/zinc/09/89/81/384098981.db2.gz NCANHCJYIFMXNI-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1cccc[nH+]1 ZINC000050087754 384107006 /nfs/dbraw/zinc/10/70/06/384107006.db2.gz JPEQHQURNWNJSX-SECBINFHSA-N 1 2 208.261 1.327 20 0 BDADLO CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000070250350 384093411 /nfs/dbraw/zinc/09/34/11/384093411.db2.gz KVYRPPZQNHQWGV-UHFFFAOYSA-N 1 2 244.298 1.749 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(C)C ZINC000070733128 384133627 /nfs/dbraw/zinc/13/36/27/384133627.db2.gz TZMVYYYNATUOMW-YUMQZZPRSA-N 1 2 227.333 1.270 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CCc2ccc(F)cc2C1 ZINC000336553968 384125957 /nfs/dbraw/zinc/12/59/57/384125957.db2.gz PZSXXXBGEVKCEJ-CYBMUJFWSA-N 1 2 248.301 1.462 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CCc2ccc(F)cc2C1 ZINC000336553968 384125961 /nfs/dbraw/zinc/12/59/61/384125961.db2.gz PZSXXXBGEVKCEJ-CYBMUJFWSA-N 1 2 248.301 1.462 20 0 BDADLO C[C@@H](CO)SCc1cn2ccccc2[nH+]1 ZINC000079085970 384127851 /nfs/dbraw/zinc/12/78/51/384127851.db2.gz KJSIAPQRZYJTES-VIFPVBQESA-N 1 2 222.313 1.948 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCOC[C@H]3C)n2c1 ZINC000091810719 384147170 /nfs/dbraw/zinc/14/71/70/384147170.db2.gz CGWFSAUSARKGNQ-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cc[nH+]cc1NCc1cncnc1 ZINC000070958543 384142706 /nfs/dbraw/zinc/14/27/06/384142706.db2.gz ACFCITKHMCCFSE-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO CS[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237407580 384175212 /nfs/dbraw/zinc/17/52/12/384175212.db2.gz JLAXXGWTNPKHLI-LURJTMIESA-N 1 2 211.290 1.354 20 0 BDADLO COc1cccnc1NC(=O)CCn1cc[nH+]c1 ZINC000523283426 259646549 /nfs/dbraw/zinc/64/65/49/259646549.db2.gz JGSLHJYNDJGQNI-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC1CCC(=O)CC1 ZINC000530509699 384185003 /nfs/dbraw/zinc/18/50/03/384185003.db2.gz QYFHJUPNMZXLLY-UHFFFAOYSA-N 1 2 249.314 1.484 20 0 BDADLO C[N@H+](Cc1cncs1)Cc1cnccn1 ZINC000092590929 384185376 /nfs/dbraw/zinc/18/53/76/384185376.db2.gz SKJVORBELXEHEW-UHFFFAOYSA-N 1 2 220.301 1.565 20 0 BDADLO C[N@@H+](Cc1cncs1)Cc1cnccn1 ZINC000092590929 384185382 /nfs/dbraw/zinc/18/53/82/384185382.db2.gz SKJVORBELXEHEW-UHFFFAOYSA-N 1 2 220.301 1.565 20 0 BDADLO Cc1occc1C[N@@H+](C)Cc1ccnn1C ZINC000092438742 384178905 /nfs/dbraw/zinc/17/89/05/384178905.db2.gz NCABRSNSKPQCQA-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1occc1C[N@H+](C)Cc1ccnn1C ZINC000092438742 384178911 /nfs/dbraw/zinc/17/89/11/384178911.db2.gz NCABRSNSKPQCQA-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000558557586 384182653 /nfs/dbraw/zinc/18/26/53/384182653.db2.gz GKVPHDBZROUYKX-ZJUUUORDSA-N 1 2 221.304 1.220 20 0 BDADLO Cc1c[nH]c(CN2CCOC(C)(C)C2)[nH+]1 ZINC000628144751 384208412 /nfs/dbraw/zinc/20/84/12/384208412.db2.gz QMNMTTNMTCYVFV-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1ccoc1C[NH+]1CCN(CC(F)F)CC1 ZINC000092586719 384186356 /nfs/dbraw/zinc/18/63/56/384186356.db2.gz GLWBOBHIGROUOD-UHFFFAOYSA-N 1 2 244.285 1.971 20 0 BDADLO FC1(F)COCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000336590777 384188799 /nfs/dbraw/zinc/18/87/99/384188799.db2.gz PJOPKKCOIIHDOE-JTQLQIEISA-N 1 2 235.274 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000336590777 384188801 /nfs/dbraw/zinc/18/88/01/384188801.db2.gz PJOPKKCOIIHDOE-JTQLQIEISA-N 1 2 235.274 1.381 20 0 BDADLO Cn1nncc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000092728500 384191307 /nfs/dbraw/zinc/19/13/07/384191307.db2.gz KWZMZBJRUAHIEA-NSHDSACASA-N 1 2 246.318 1.265 20 0 BDADLO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)C2)o1 ZINC000042544285 384231948 /nfs/dbraw/zinc/23/19/48/384231948.db2.gz JUHPLJXIWKHCPT-WDEREUQCSA-N 1 2 208.305 1.943 20 0 BDADLO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)C2)o1 ZINC000042544285 384231954 /nfs/dbraw/zinc/23/19/54/384231954.db2.gz JUHPLJXIWKHCPT-WDEREUQCSA-N 1 2 208.305 1.943 20 0 BDADLO Cc1cc(NC(=O)c2ccnn2C)cc[nH+]1 ZINC000082267620 384233843 /nfs/dbraw/zinc/23/38/43/384233843.db2.gz FUABBSVFUBVSAK-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnc2cnccn12 ZINC000093417863 384235508 /nfs/dbraw/zinc/23/55/08/384235508.db2.gz MMFTVOHPQCEOOQ-MNOVXSKESA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnc2cnccn12 ZINC000093417863 384235511 /nfs/dbraw/zinc/23/55/11/384235511.db2.gz MMFTVOHPQCEOOQ-MNOVXSKESA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1nncn1C ZINC000050419935 384209575 /nfs/dbraw/zinc/20/95/75/384209575.db2.gz SFSSLPFLRQZEFF-MRVPVSSYSA-N 1 2 203.249 1.383 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)o1 ZINC000093084408 384210564 /nfs/dbraw/zinc/21/05/64/384210564.db2.gz BDXAZACMNCGGLS-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2(C)C)o1 ZINC000093084408 384210568 /nfs/dbraw/zinc/21/05/68/384210568.db2.gz BDXAZACMNCGGLS-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](O)C[C@@H]2C)[nH+]1 ZINC000644154130 384212575 /nfs/dbraw/zinc/21/25/75/384212575.db2.gz VQHULXJTSMYFRP-WPRPVWTQSA-N 1 2 246.314 1.616 20 0 BDADLO Clc1cccc(NCC[NH+]2CCOCC2)n1 ZINC000082460892 384226331 /nfs/dbraw/zinc/22/63/31/384226331.db2.gz YCNQFFRCIKZOPH-UHFFFAOYSA-N 1 2 241.722 1.479 20 0 BDADLO Cc1cc(NC(=O)N2CCOC[C@@H](C)C2)cc[nH+]1 ZINC000336614110 384242798 /nfs/dbraw/zinc/24/27/98/384242798.db2.gz GIPPKOODTFTTRN-JTQLQIEISA-N 1 2 249.314 1.312 20 0 BDADLO O=C(NCC1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000560604504 384246826 /nfs/dbraw/zinc/24/68/26/384246826.db2.gz CFSCNNQFQNSIJL-UHFFFAOYSA-N 1 2 246.301 1.490 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000558700122 384252538 /nfs/dbraw/zinc/25/25/38/384252538.db2.gz POPRPSYLCKFLKG-SNVBAGLBSA-N 1 2 221.304 1.530 20 0 BDADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000093814081 384272781 /nfs/dbraw/zinc/27/27/81/384272781.db2.gz YJRTYZYQPVJYBT-LBPRGKRZSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000093814081 384272787 /nfs/dbraw/zinc/27/27/87/384272787.db2.gz YJRTYZYQPVJYBT-LBPRGKRZSA-N 1 2 237.303 1.103 20 0 BDADLO CO[C@H](C(=O)Nc1cccc2[nH+]ccn21)C(C)C ZINC000472354462 533052143 /nfs/dbraw/zinc/05/21/43/533052143.db2.gz YPDTYMALZZRJQZ-LBPRGKRZSA-N 1 2 247.298 1.944 20 0 BDADLO Cc1nc(NCCCC(F)(F)F)nc(N)[nH+]1 ZINC000304416093 384284639 /nfs/dbraw/zinc/28/46/39/384284639.db2.gz CULDWOWHAJTIDD-UHFFFAOYSA-N 1 2 235.213 1.517 20 0 BDADLO Cc1nc(N)nc(NCCCC(F)(F)F)[nH+]1 ZINC000304416093 384284645 /nfs/dbraw/zinc/28/46/45/384284645.db2.gz CULDWOWHAJTIDD-UHFFFAOYSA-N 1 2 235.213 1.517 20 0 BDADLO CS[C@@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000158896915 384284889 /nfs/dbraw/zinc/28/48/89/384284889.db2.gz ZVEDVPTVNPJPPD-VIFPVBQESA-N 1 2 227.333 1.141 20 0 BDADLO COC(=O)CN(C)Cc1c[nH+]c2cc(C)ccn12 ZINC000179394489 384285968 /nfs/dbraw/zinc/28/59/68/384285968.db2.gz XDAXXTIYCGERSZ-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2cccc(F)c2C1 ZINC000074449953 384286994 /nfs/dbraw/zinc/28/69/94/384286994.db2.gz WGDMUBCEHBRMFW-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2cccc(F)c2C1 ZINC000074449953 384286997 /nfs/dbraw/zinc/28/69/97/384286997.db2.gz WGDMUBCEHBRMFW-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448701 384287367 /nfs/dbraw/zinc/28/73/67/384287367.db2.gz CHJUQMLBYMZREW-MRVPVSSYSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448701 384287375 /nfs/dbraw/zinc/28/73/75/384287375.db2.gz CHJUQMLBYMZREW-MRVPVSSYSA-N 1 2 238.718 1.572 20 0 BDADLO CC[C@](C)(O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119645082 384293399 /nfs/dbraw/zinc/29/33/99/384293399.db2.gz IQKVOQGINVXXKJ-LBPRGKRZSA-N 1 2 237.303 1.673 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000075776948 384338973 /nfs/dbraw/zinc/33/89/73/384338973.db2.gz DSSPNXMKYHIAOR-QMMMGPOBSA-N 1 2 233.262 1.481 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000075776948 384338978 /nfs/dbraw/zinc/33/89/78/384338978.db2.gz DSSPNXMKYHIAOR-QMMMGPOBSA-N 1 2 233.262 1.481 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120302931 384347015 /nfs/dbraw/zinc/34/70/15/384347015.db2.gz ARQJIQAVDGHUBS-UHFFFAOYSA-N 1 2 245.286 1.084 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120302931 384347019 /nfs/dbraw/zinc/34/70/19/384347019.db2.gz ARQJIQAVDGHUBS-UHFFFAOYSA-N 1 2 245.286 1.084 20 0 BDADLO CC[C@H](CCO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000305737571 384347725 /nfs/dbraw/zinc/34/77/25/384347725.db2.gz QHTDWHMZMJCHPV-SNVBAGLBSA-N 1 2 237.303 1.673 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@](C)(O)C1 ZINC000120361087 384349925 /nfs/dbraw/zinc/34/99/25/384349925.db2.gz RVZSYPHFHRKWQN-ZDUSSCGKSA-N 1 2 249.314 1.769 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000188075374 384359586 /nfs/dbraw/zinc/35/95/86/384359586.db2.gz QSSFYWVMJSTBSF-ONGXEEELSA-N 1 2 236.315 1.710 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000188075374 384359590 /nfs/dbraw/zinc/35/95/90/384359590.db2.gz QSSFYWVMJSTBSF-ONGXEEELSA-N 1 2 236.315 1.710 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)OC ZINC000300383776 384363472 /nfs/dbraw/zinc/36/34/72/384363472.db2.gz IEQZYTGBTRURBG-OPRDCNLKSA-N 1 2 231.361 1.812 20 0 BDADLO CS[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000120582796 384364244 /nfs/dbraw/zinc/36/42/44/384364244.db2.gz AMJDTZXWXOINSW-SSDOTTSWSA-N 1 2 213.306 1.168 20 0 BDADLO FC(F)(F)Cn1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000120635327 384365863 /nfs/dbraw/zinc/36/58/63/384365863.db2.gz BBSXRKQNEKMRIL-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000159335057 384323383 /nfs/dbraw/zinc/32/33/83/384323383.db2.gz PKRFMCLGYHNEPH-JTQLQIEISA-N 1 2 208.261 1.325 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000159335057 384323388 /nfs/dbraw/zinc/32/33/88/384323388.db2.gz PKRFMCLGYHNEPH-JTQLQIEISA-N 1 2 208.261 1.325 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2c(c1)OCO2 ZINC000120072414 384325331 /nfs/dbraw/zinc/32/53/31/384325331.db2.gz BDFYNKQQZQHNMY-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2c(c1)OCO2 ZINC000120072414 384325335 /nfs/dbraw/zinc/32/53/35/384325335.db2.gz BDFYNKQQZQHNMY-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO COCCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000175131408 384399784 /nfs/dbraw/zinc/39/97/84/384399784.db2.gz SDEXJOIVWLQUOU-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO COCCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000175131408 384399793 /nfs/dbraw/zinc/39/97/93/384399793.db2.gz SDEXJOIVWLQUOU-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CC[C@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000642704394 384378256 /nfs/dbraw/zinc/37/82/56/384378256.db2.gz TVVSKEKKQIECFC-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000642704394 384378261 /nfs/dbraw/zinc/37/82/61/384378261.db2.gz TVVSKEKKQIECFC-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CC(C2CC2)C1 ZINC000643345400 384379128 /nfs/dbraw/zinc/37/91/28/384379128.db2.gz VGPSDCABRXNEJB-UHFFFAOYSA-N 1 2 225.723 1.915 20 0 BDADLO CC[C@@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134742338 384384828 /nfs/dbraw/zinc/38/48/28/384384828.db2.gz ARZODGQSWNPVAZ-LLVKDONJSA-N 1 2 238.335 1.713 20 0 BDADLO CC(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000201005103 384451389 /nfs/dbraw/zinc/45/13/89/384451389.db2.gz NQUHQPDFZLKFBH-GFCCVEGCSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1csc(Cl)n1 ZINC000289503901 384429406 /nfs/dbraw/zinc/42/94/06/384429406.db2.gz DTCUUYCNTNAGKT-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1csc(Cl)n1 ZINC000289503901 384429415 /nfs/dbraw/zinc/42/94/15/384429415.db2.gz DTCUUYCNTNAGKT-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO COc1ncncc1C[NH2+]Cc1nccs1 ZINC000647172881 384430129 /nfs/dbraw/zinc/43/01/29/384430129.db2.gz NTTSTOHANZYVRQ-UHFFFAOYSA-N 1 2 236.300 1.232 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(O)cc1F ZINC000229787380 384430745 /nfs/dbraw/zinc/43/07/45/384430745.db2.gz YMCGAINXTQKRAP-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)O ZINC000121658440 384433847 /nfs/dbraw/zinc/43/38/47/384433847.db2.gz SBGGTSGVLDKOPE-UHFFFAOYSA-N 1 2 223.276 1.282 20 0 BDADLO O=C(CCc1ccoc1)NCCc1[nH]cc[nH+]1 ZINC000175398003 384437231 /nfs/dbraw/zinc/43/72/31/384437231.db2.gz VUKHPBIUSNJJPQ-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H](C)O ZINC000121868721 384442547 /nfs/dbraw/zinc/44/25/47/384442547.db2.gz VKNLMMGVIFLBKC-SECBINFHSA-N 1 2 223.276 1.235 20 0 BDADLO C[C@@H](N[C@H]1CCn2cc[nH+]c21)C(C)(F)F ZINC000335658613 384461416 /nfs/dbraw/zinc/46/14/16/384461416.db2.gz VHTKGEDOJFDAJO-SFYZADRCSA-N 1 2 215.247 1.961 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccccn1 ZINC000036900135 384463501 /nfs/dbraw/zinc/46/35/01/384463501.db2.gz ZQOPQEYAGJHIJI-VIFPVBQESA-N 1 2 202.261 1.656 20 0 BDADLO Cc1nc(N(C)[C@H](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000559001157 384465780 /nfs/dbraw/zinc/46/57/80/384465780.db2.gz GRZRDUMSBCWIDV-MRVPVSSYSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@H](C)C2CC2)[nH+]1 ZINC000559001157 384465785 /nfs/dbraw/zinc/46/57/85/384465785.db2.gz GRZRDUMSBCWIDV-MRVPVSSYSA-N 1 2 235.335 1.481 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ccn(C)n2)o1 ZINC000096593344 384467945 /nfs/dbraw/zinc/46/79/45/384467945.db2.gz UMGGQNXHEFPRON-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516875 384468229 /nfs/dbraw/zinc/46/82/29/384468229.db2.gz SRMGCAFOZCSSKA-GFCCVEGCSA-N 1 2 235.331 1.495 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516875 384468237 /nfs/dbraw/zinc/46/82/37/384468237.db2.gz SRMGCAFOZCSSKA-GFCCVEGCSA-N 1 2 235.331 1.495 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)no1 ZINC000408433674 384474342 /nfs/dbraw/zinc/47/43/42/384474342.db2.gz NHLHLWFIGDAKCE-NGZCFLSTSA-N 1 2 239.319 1.359 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)no1 ZINC000408433674 384474345 /nfs/dbraw/zinc/47/43/45/384474345.db2.gz NHLHLWFIGDAKCE-NGZCFLSTSA-N 1 2 239.319 1.359 20 0 BDADLO COC(=O)[C@@H](C)CSCCn1cc[nH+]c1 ZINC000085161896 384507691 /nfs/dbraw/zinc/50/76/91/384507691.db2.gz XZWJLOAKLXRWFW-VIFPVBQESA-N 1 2 228.317 1.425 20 0 BDADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccccn1 ZINC000122483942 384486829 /nfs/dbraw/zinc/48/68/29/384486829.db2.gz VPEYKGPPRHPUGP-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccccn1 ZINC000122483942 384486832 /nfs/dbraw/zinc/48/68/32/384486832.db2.gz VPEYKGPPRHPUGP-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO FC(F)CN(CCn1cc[nH+]c1)C1CC1 ZINC000161708881 384516844 /nfs/dbraw/zinc/51/68/44/384516844.db2.gz FYFAUFFHSZVACC-UHFFFAOYSA-N 1 2 215.247 1.613 20 0 BDADLO COC(C[N@H+](C)Cc1cscn1)OC ZINC000085351289 384519228 /nfs/dbraw/zinc/51/92/28/384519228.db2.gz PVOZPSUMANRUAH-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO COC(C[N@@H+](C)Cc1cscn1)OC ZINC000085351289 384519235 /nfs/dbraw/zinc/51/92/35/384519235.db2.gz PVOZPSUMANRUAH-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccon1 ZINC000566446797 384527307 /nfs/dbraw/zinc/52/73/07/384527307.db2.gz OGWIXNFQGNOUJG-VIFPVBQESA-N 1 2 237.303 1.194 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2C2CC2)cc[nH+]1 ZINC000183957409 384542094 /nfs/dbraw/zinc/54/20/94/384542094.db2.gz APZRZQKAFHOECR-LLVKDONJSA-N 1 2 219.288 1.400 20 0 BDADLO COC[C@@H](O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000123286054 384547048 /nfs/dbraw/zinc/54/70/48/384547048.db2.gz KZMZJDKTZWBFMU-JTQLQIEISA-N 1 2 237.303 1.163 20 0 BDADLO CCC[C@@](C)([NH2+]Cc1cccn1C)C(=O)OC ZINC000184047229 384557270 /nfs/dbraw/zinc/55/72/70/384557270.db2.gz DUFIJJFLTFDYKR-CYBMUJFWSA-N 1 2 238.331 1.847 20 0 BDADLO COC(=O)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000097635546 384538883 /nfs/dbraw/zinc/53/88/83/384538883.db2.gz ULTWXBXJQQNWFJ-JTQLQIEISA-N 1 2 235.287 1.174 20 0 BDADLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(CC(F)F)C1 ZINC000643855824 384539807 /nfs/dbraw/zinc/53/98/07/384539807.db2.gz LPTDFFURMAIVLW-SFYZADRCSA-N 1 2 231.246 1.437 20 0 BDADLO CC(C)COC[C@@H]([NH2+]CC(N)=O)c1ccco1 ZINC000184178586 384576113 /nfs/dbraw/zinc/57/61/13/384576113.db2.gz WHHATJRWLRLGMV-SNVBAGLBSA-N 1 2 240.303 1.068 20 0 BDADLO COC(=O)C[N@H+](CCc1ccccn1)C(C)C ZINC000050063444 384587806 /nfs/dbraw/zinc/58/78/06/384587806.db2.gz UMRDBPMMVAEDRE-UHFFFAOYSA-N 1 2 236.315 1.508 20 0 BDADLO COC(=O)C[N@@H+](CCc1ccccn1)C(C)C ZINC000050063444 384587810 /nfs/dbraw/zinc/58/78/10/384587810.db2.gz UMRDBPMMVAEDRE-UHFFFAOYSA-N 1 2 236.315 1.508 20 0 BDADLO CCc1cc(C[NH2+]Cc2cncnc2OC)on1 ZINC000647185883 384618160 /nfs/dbraw/zinc/61/81/60/384618160.db2.gz UMGMSONIDDFCAD-UHFFFAOYSA-N 1 2 248.286 1.325 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ncnn1C ZINC000172717118 384623946 /nfs/dbraw/zinc/62/39/46/384623946.db2.gz SLXZKAIJNBWQMR-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ncnn1C ZINC000172717118 384623949 /nfs/dbraw/zinc/62/39/49/384623949.db2.gz SLXZKAIJNBWQMR-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[N@H+](Cc1ccccn1)Cc1cnccn1 ZINC000080965107 384595267 /nfs/dbraw/zinc/59/52/67/384595267.db2.gz WLPAKWAQQJDTGG-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccccn1)Cc1cnccn1 ZINC000080965107 384595274 /nfs/dbraw/zinc/59/52/74/384595274.db2.gz WLPAKWAQQJDTGG-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000080966995 384597556 /nfs/dbraw/zinc/59/75/56/384597556.db2.gz QYXCQWNQZWIGSB-UHFFFAOYSA-N 1 2 232.287 1.713 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1cnccn1 ZINC000080966995 384597564 /nfs/dbraw/zinc/59/75/64/384597564.db2.gz QYXCQWNQZWIGSB-UHFFFAOYSA-N 1 2 232.287 1.713 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cccn2C)n1 ZINC000309781831 384599477 /nfs/dbraw/zinc/59/94/77/384599477.db2.gz NBDXACQIBJKTAC-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(F)F ZINC000179136667 384600265 /nfs/dbraw/zinc/60/02/65/384600265.db2.gz ITJPCXKEMHQPLE-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+]1CC(F)F ZINC000179136667 384600269 /nfs/dbraw/zinc/60/02/69/384600269.db2.gz ITJPCXKEMHQPLE-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO COc1ncccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000561332880 384668385 /nfs/dbraw/zinc/66/83/85/384668385.db2.gz IOZCTAHRHYKPMY-JTQLQIEISA-N 1 2 249.314 1.369 20 0 BDADLO C[C@H](N[C@@H]1CCn2cc[nH+]c21)C(F)F ZINC000306766858 384676503 /nfs/dbraw/zinc/67/65/03/384676503.db2.gz OMOOHGITRYKUSN-NKWVEPMBSA-N 1 2 201.220 1.571 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)c1)c1ncn(C)n1 ZINC000309807560 384637132 /nfs/dbraw/zinc/63/71/32/384637132.db2.gz SOGQLRGVFIOCBO-VIFPVBQESA-N 1 2 219.292 1.004 20 0 BDADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ncnn1C ZINC000162547646 384642864 /nfs/dbraw/zinc/64/28/64/384642864.db2.gz BNAYGOZJBCRBIG-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ncnn1C ZINC000162547646 384642869 /nfs/dbraw/zinc/64/28/69/384642869.db2.gz BNAYGOZJBCRBIG-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)OC1CCC1 ZINC000496585991 533083560 /nfs/dbraw/zinc/08/35/60/533083560.db2.gz JQQPHSIMRWRZPM-UHFFFAOYSA-N 1 2 236.271 1.869 20 0 BDADLO O=C(C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000082275685 384656096 /nfs/dbraw/zinc/65/60/96/384656096.db2.gz CDASBJSKLOPPLA-UHFFFAOYSA-N 1 2 219.288 1.457 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082277630 384660827 /nfs/dbraw/zinc/66/08/27/384660827.db2.gz LLULCOWTJLWYCE-SNVBAGLBSA-N 1 2 244.298 1.758 20 0 BDADLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccccc1 ZINC000531016652 384660842 /nfs/dbraw/zinc/66/08/42/384660842.db2.gz CATVRLFNPSRUNJ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccccc1 ZINC000531016652 384660851 /nfs/dbraw/zinc/66/08/51/384660851.db2.gz CATVRLFNPSRUNJ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000126043729 384725752 /nfs/dbraw/zinc/72/57/52/384725752.db2.gz JBNWGAYAUGJYPN-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000126043729 384725760 /nfs/dbraw/zinc/72/57/60/384725760.db2.gz JBNWGAYAUGJYPN-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000162756006 384678964 /nfs/dbraw/zinc/67/89/64/384678964.db2.gz ALJBNYIQHQMMNP-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000162756006 384678969 /nfs/dbraw/zinc/67/89/69/384678969.db2.gz ALJBNYIQHQMMNP-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H]2COCCO2)c1Cl ZINC000309866277 384679990 /nfs/dbraw/zinc/67/99/90/384679990.db2.gz OSCQKUPEHOKDDP-SECBINFHSA-N 1 2 242.706 1.871 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@@H](OC)C1CC1)C1CC1 ZINC000580710643 384684768 /nfs/dbraw/zinc/68/47/68/384684768.db2.gz LABWLPAWKGPBDO-DGCLKSJQSA-N 1 2 241.331 1.343 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@H](OC)C1CC1)C1CC1 ZINC000580710644 384684967 /nfs/dbraw/zinc/68/49/67/384684967.db2.gz LABWLPAWKGPBDO-WCQYABFASA-N 1 2 241.331 1.343 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)OC(C)(C)C ZINC000082609874 384695584 /nfs/dbraw/zinc/69/55/84/384695584.db2.gz DTMDQMFDDVKJHU-VIFPVBQESA-N 1 2 225.292 1.796 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403485614 384700483 /nfs/dbraw/zinc/70/04/83/384700483.db2.gz UBZNSFQNWQGEQI-OPRDCNLKSA-N 1 2 243.314 1.964 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)o1 ZINC000082680099 384701349 /nfs/dbraw/zinc/70/13/49/384701349.db2.gz XFOHLPRQFUSWBH-VIFPVBQESA-N 1 2 237.221 1.943 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)o1 ZINC000082680099 384701357 /nfs/dbraw/zinc/70/13/57/384701357.db2.gz XFOHLPRQFUSWBH-VIFPVBQESA-N 1 2 237.221 1.943 20 0 BDADLO C[C@@H]([NH2+]CCO)c1nc(Cc2ccccc2)no1 ZINC000185415756 384719316 /nfs/dbraw/zinc/71/93/16/384719316.db2.gz HTCNCKSRIDNEOG-SNVBAGLBSA-N 1 2 247.298 1.303 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC(F)(F)CO ZINC000185559028 384738495 /nfs/dbraw/zinc/73/84/95/384738495.db2.gz LTZOZHSCQFJYBG-UHFFFAOYSA-N 1 2 245.229 1.139 20 0 BDADLO COC[C@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000117866964 384740101 /nfs/dbraw/zinc/74/01/01/384740101.db2.gz OAXBZDRQHFYBOV-SECBINFHSA-N 1 2 225.292 1.019 20 0 BDADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(N)=O ZINC000058552286 384750838 /nfs/dbraw/zinc/75/08/38/384750838.db2.gz JQECCGHVUAXIKF-MFKMUULPSA-N 1 2 244.294 1.832 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000647551808 384754372 /nfs/dbraw/zinc/75/43/72/384754372.db2.gz NIYBAEDCQFQROW-CYBMUJFWSA-N 1 2 247.342 1.495 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000647551808 384754379 /nfs/dbraw/zinc/75/43/79/384754379.db2.gz NIYBAEDCQFQROW-CYBMUJFWSA-N 1 2 247.342 1.495 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCOCC(F)(F)F ZINC000108856389 384756141 /nfs/dbraw/zinc/75/61/41/384756141.db2.gz CSLBQBDLVACYRD-UHFFFAOYSA-N 1 2 243.225 1.107 20 0 BDADLO COC(=O)[C@@H](CC(F)F)[NH2+]CC(C)C ZINC000308504613 384772744 /nfs/dbraw/zinc/77/27/44/384772744.db2.gz ICOTUEHBHRNJBW-SSDOTTSWSA-N 1 2 209.236 1.429 20 0 BDADLO Cn1cccc1C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000126788927 384829542 /nfs/dbraw/zinc/82/95/42/384829542.db2.gz SHMUSCJHHYSTJR-UHFFFAOYSA-N 1 2 236.315 1.055 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OCC ZINC000310020692 384785819 /nfs/dbraw/zinc/78/58/19/384785819.db2.gz NECNJAVYPNBPEN-VWYCJHECSA-N 1 2 231.336 1.731 20 0 BDADLO CCN(C)C(=O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000186370873 384839083 /nfs/dbraw/zinc/83/90/83/384839083.db2.gz VNSOHONWYLDKIW-UHFFFAOYSA-N 1 2 248.330 1.553 20 0 BDADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)cc1 ZINC000163754489 384856027 /nfs/dbraw/zinc/85/60/27/384856027.db2.gz DSCRRZKOBKCTFX-QWHCGFSZSA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)cc1 ZINC000163754489 384856032 /nfs/dbraw/zinc/85/60/32/384856032.db2.gz DSCRRZKOBKCTFX-QWHCGFSZSA-N 1 2 249.310 1.103 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)CSC)C(=O)OC ZINC000127287247 384856281 /nfs/dbraw/zinc/85/62/81/384856281.db2.gz IYBUZGQRDVVUDI-HTQZYQBOSA-N 1 2 205.323 1.279 20 0 BDADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)cc1 ZINC000163754375 384857369 /nfs/dbraw/zinc/85/73/69/384857369.db2.gz DSCRRZKOBKCTFX-CHWSQXEVSA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)cc1 ZINC000163754375 384857373 /nfs/dbraw/zinc/85/73/73/384857373.db2.gz DSCRRZKOBKCTFX-CHWSQXEVSA-N 1 2 249.310 1.103 20 0 BDADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(C)c1O ZINC000568379255 384861846 /nfs/dbraw/zinc/86/18/46/384861846.db2.gz AKNWBDCVYWINNZ-UHFFFAOYSA-N 1 2 245.282 1.844 20 0 BDADLO C[N@H+](CCN1CCCC1=O)Cc1nccs1 ZINC000175076793 384865641 /nfs/dbraw/zinc/86/56/41/384865641.db2.gz HBFWSOJIWIZHLP-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C[N@@H+](CCN1CCCC1=O)Cc1nccs1 ZINC000175076793 384865645 /nfs/dbraw/zinc/86/56/45/384865645.db2.gz HBFWSOJIWIZHLP-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(C2CC2)C1 ZINC000642936339 384956251 /nfs/dbraw/zinc/95/62/51/384956251.db2.gz BOVQNPWDOUBLPJ-SNVBAGLBSA-N 1 2 248.330 1.323 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cnn[nH]2)c(C)o1 ZINC000398307284 384900030 /nfs/dbraw/zinc/90/00/30/384900030.db2.gz QBZUHZWVJUQAFS-QMMMGPOBSA-N 1 2 220.276 1.865 20 0 BDADLO C[C@H](C[N@@H+]1CCC[C@](C)(F)C1)S(C)(=O)=O ZINC000336267550 384903235 /nfs/dbraw/zinc/90/32/35/384903235.db2.gz WPBHNXRTPYZVQA-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@H](C[N@H+]1CCC[C@](C)(F)C1)S(C)(=O)=O ZINC000336267550 384903238 /nfs/dbraw/zinc/90/32/38/384903238.db2.gz WPBHNXRTPYZVQA-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000106141229 384903300 /nfs/dbraw/zinc/90/33/00/384903300.db2.gz DTJHPCHVYQFFRZ-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000106141229 384903305 /nfs/dbraw/zinc/90/33/05/384903305.db2.gz DTJHPCHVYQFFRZ-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)OCCCF ZINC000497307548 384959365 /nfs/dbraw/zinc/95/93/65/384959365.db2.gz WFOVVRDKEVYRPF-UHFFFAOYSA-N 1 2 243.282 1.701 20 0 BDADLO Cn1c[nH+]cc1COc1cccc(CO)c1 ZINC000085191597 384925488 /nfs/dbraw/zinc/92/54/88/384925488.db2.gz BZMQBWQPFPVAAJ-UHFFFAOYSA-N 1 2 218.256 1.491 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)n1 ZINC000647610296 384935177 /nfs/dbraw/zinc/93/51/77/384935177.db2.gz KWQGMPFQVORJGQ-ACLDMZEESA-N 1 2 211.265 1.206 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)n1 ZINC000647610297 384936644 /nfs/dbraw/zinc/93/66/44/384936644.db2.gz KWQGMPFQVORJGQ-BKPPORCPSA-N 1 2 211.265 1.206 20 0 BDADLO Cc1ccc(OC[C@@H](O)Cn2cc[nH+]c2)c(C)c1 ZINC000057371547 384941819 /nfs/dbraw/zinc/94/18/19/384941819.db2.gz RLNUSMGOEWRSEG-ZDUSSCGKSA-N 1 2 246.310 1.940 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000106934143 384945847 /nfs/dbraw/zinc/94/58/47/384945847.db2.gz DFGYYZWCMYVXOD-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000106934143 384945850 /nfs/dbraw/zinc/94/58/50/384945850.db2.gz DFGYYZWCMYVXOD-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO COC[C@H](C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057782694 384965802 /nfs/dbraw/zinc/96/58/02/384965802.db2.gz TYYIKKZLJNKSIO-JTQLQIEISA-N 1 2 247.298 1.441 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cc(C)ns1 ZINC000404281678 384966515 /nfs/dbraw/zinc/96/65/15/384966515.db2.gz AUYNUMJBCRZLRZ-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccns1 ZINC000404310388 384970037 /nfs/dbraw/zinc/97/00/37/384970037.db2.gz KMWUYVSVICFIRF-UHFFFAOYSA-N 1 2 223.305 1.044 20 0 BDADLO CC[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000312974944 384972414 /nfs/dbraw/zinc/97/24/14/384972414.db2.gz DUZXKHSUFWHDGB-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000312974944 384972420 /nfs/dbraw/zinc/97/24/20/384972420.db2.gz DUZXKHSUFWHDGB-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO Nc1ccc(CNc2cncc(Cl)n2)c[nH+]1 ZINC000302855424 385008187 /nfs/dbraw/zinc/00/81/87/385008187.db2.gz LBTWVEJDDFEBAG-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)c(C)o1 ZINC000335665668 385015075 /nfs/dbraw/zinc/01/50/75/385015075.db2.gz KCYNHAZXKBSPRB-UHFFFAOYSA-N 1 2 232.239 1.671 20 0 BDADLO CSc1ccc(C[NH+]2CC(O)C2)cc1 ZINC000070839707 385019722 /nfs/dbraw/zinc/01/97/22/385019722.db2.gz XRPFVYLRUBMZJX-UHFFFAOYSA-N 1 2 209.314 1.585 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000518398299 385052802 /nfs/dbraw/zinc/05/28/02/385052802.db2.gz YQGQFYPYKRQQDE-MRVPVSSYSA-N 1 2 247.302 1.747 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000188468852 385054976 /nfs/dbraw/zinc/05/49/76/385054976.db2.gz GQSMLNFCZIAQOV-QMMMGPOBSA-N 1 2 241.360 1.408 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)[nH]1 ZINC000408375503 385055089 /nfs/dbraw/zinc/05/50/89/385055089.db2.gz OXSVCMRWFYFUEB-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@H]2CO)[nH]1 ZINC000408375503 385055100 /nfs/dbraw/zinc/05/51/00/385055100.db2.gz OXSVCMRWFYFUEB-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)NC(C)(C)CC ZINC000115577608 385063794 /nfs/dbraw/zinc/06/37/94/385063794.db2.gz FXTJOWWTPUDBJS-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)NC(C)(C)CC ZINC000115577608 385063798 /nfs/dbraw/zinc/06/37/98/385063798.db2.gz FXTJOWWTPUDBJS-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cc(NCCCn2cccn2)nc[nH+]1 ZINC000157139518 385080476 /nfs/dbraw/zinc/08/04/76/385080476.db2.gz LTHCOLNCULNBNO-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)OCC ZINC000312989241 385046804 /nfs/dbraw/zinc/04/68/04/385046804.db2.gz KQJHRNAAIHUGGB-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H]2CO)[nH]1 ZINC000408397576 385109879 /nfs/dbraw/zinc/10/98/79/385109879.db2.gz UNDDPHYREXYYKD-SECBINFHSA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H]2CO)[nH]1 ZINC000408397576 385109887 /nfs/dbraw/zinc/10/98/87/385109887.db2.gz UNDDPHYREXYYKD-SECBINFHSA-N 1 2 238.335 1.059 20 0 BDADLO CCc1c[nH]c(SCc2[nH+]ccn2C)n1 ZINC000129250002 385126577 /nfs/dbraw/zinc/12/65/77/385126577.db2.gz ZUMWECLOUFRSQD-UHFFFAOYSA-N 1 2 222.317 1.998 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CCCOC2)c[nH+]1 ZINC000061680263 385131973 /nfs/dbraw/zinc/13/19/73/385131973.db2.gz LMVKIJRIXBOGKL-MRVPVSSYSA-N 1 2 221.260 1.029 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](Cc3ncc(Cl)s3)C[C@H]12 ZINC000644715132 385132834 /nfs/dbraw/zinc/13/28/34/385132834.db2.gz MKONYSVFMXVAOA-JIGDXULJSA-N 1 2 244.747 1.467 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3ncc(Cl)s3)C[C@H]12 ZINC000644715132 385132839 /nfs/dbraw/zinc/13/28/39/385132839.db2.gz MKONYSVFMXVAOA-JIGDXULJSA-N 1 2 244.747 1.467 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644717180 385135926 /nfs/dbraw/zinc/13/59/26/385135926.db2.gz YXCGJQXLQSVGTI-DTWKUNHWSA-N 1 2 210.302 1.425 20 0 BDADLO Cc1ncsc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644717180 385135929 /nfs/dbraw/zinc/13/59/29/385135929.db2.gz YXCGJQXLQSVGTI-DTWKUNHWSA-N 1 2 210.302 1.425 20 0 BDADLO COCCc1noc(C[N@H+](C)CC=C(C)C)n1 ZINC000151102894 385087384 /nfs/dbraw/zinc/08/73/84/385087384.db2.gz FLZHPXRRNYGSQQ-UHFFFAOYSA-N 1 2 239.319 1.657 20 0 BDADLO COCCc1noc(C[N@@H+](C)CC=C(C)C)n1 ZINC000151102894 385087392 /nfs/dbraw/zinc/08/73/92/385087392.db2.gz FLZHPXRRNYGSQQ-UHFFFAOYSA-N 1 2 239.319 1.657 20 0 BDADLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)co1 ZINC000188746353 385087926 /nfs/dbraw/zinc/08/79/26/385087926.db2.gz TVDHTBCZZHUXFM-UHFFFAOYSA-N 1 2 247.298 1.947 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCOC[C@@H]2C)[nH]1 ZINC000644678421 385089204 /nfs/dbraw/zinc/08/92/04/385089204.db2.gz JNWPFBOVBCJRBC-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCOC[C@@H]2C)[nH]1 ZINC000644678421 385089209 /nfs/dbraw/zinc/08/92/09/385089209.db2.gz JNWPFBOVBCJRBC-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(OC)CC1 ZINC000648287450 385091670 /nfs/dbraw/zinc/09/16/70/385091670.db2.gz GVUZQMJLUDSUOS-UHFFFAOYSA-N 1 2 220.272 1.183 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000559639630 385098712 /nfs/dbraw/zinc/09/87/12/385098712.db2.gz MJRZVQHQAVSCIK-LLVKDONJSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000559639630 385098715 /nfs/dbraw/zinc/09/87/15/385098715.db2.gz MJRZVQHQAVSCIK-LLVKDONJSA-N 1 2 246.310 1.732 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@](C)(OC)C2)o1 ZINC000407950053 385104652 /nfs/dbraw/zinc/10/46/52/385104652.db2.gz SXITUEXZGOKDEA-GFCCVEGCSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@](C)(OC)C2)o1 ZINC000407950053 385104660 /nfs/dbraw/zinc/10/46/60/385104660.db2.gz SXITUEXZGOKDEA-GFCCVEGCSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1cncc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000189751502 385185011 /nfs/dbraw/zinc/18/50/11/385185011.db2.gz VWAAMMAFQUPBSZ-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cncc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000189751502 385185018 /nfs/dbraw/zinc/18/50/18/385185018.db2.gz VWAAMMAFQUPBSZ-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc([C@@H](O)C[N@@H+](C)Cc2nnc[nH]2)cc1 ZINC000177148602 385189033 /nfs/dbraw/zinc/18/90/33/385189033.db2.gz FMJXZAZODYKQRB-LBPRGKRZSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1ccc([C@@H](O)C[N@H+](C)Cc2nnc[nH]2)cc1 ZINC000177148602 385189037 /nfs/dbraw/zinc/18/90/37/385189037.db2.gz FMJXZAZODYKQRB-LBPRGKRZSA-N 1 2 246.314 1.279 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cncs1 ZINC000189993227 385202179 /nfs/dbraw/zinc/20/21/79/385202179.db2.gz PZRZLIIHZHKAES-NSHDSACASA-N 1 2 240.328 1.671 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cncs1 ZINC000189993227 385202187 /nfs/dbraw/zinc/20/21/87/385202187.db2.gz PZRZLIIHZHKAES-NSHDSACASA-N 1 2 240.328 1.671 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2cnccn2)c1 ZINC000189917369 385195267 /nfs/dbraw/zinc/19/52/67/385195267.db2.gz SLMCNQUEBLVDNC-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2cnccn2)c1 ZINC000189917369 385195273 /nfs/dbraw/zinc/19/52/73/385195273.db2.gz SLMCNQUEBLVDNC-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000119735699 385147834 /nfs/dbraw/zinc/14/78/34/385147834.db2.gz SBWLPOPBJMVPIO-WDEREUQCSA-N 1 2 209.293 1.457 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@H]2C1 ZINC000176787509 385147949 /nfs/dbraw/zinc/14/79/49/385147949.db2.gz MXEBACXXCFRBMU-UWVGGRQHSA-N 1 2 243.314 1.600 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000177996947 385150552 /nfs/dbraw/zinc/15/05/52/385150552.db2.gz WKYPQRUXGTVKRD-LBPRGKRZSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000177996947 385150560 /nfs/dbraw/zinc/15/05/60/385150560.db2.gz WKYPQRUXGTVKRD-LBPRGKRZSA-N 1 2 239.319 1.225 20 0 BDADLO CC[N@H+](C/C=C/Cl)C[C@H](O)C(F)(F)F ZINC000189480065 385158920 /nfs/dbraw/zinc/15/89/20/385158920.db2.gz YLRBMLFHFLAAAV-SDLBARTOSA-N 1 2 231.645 1.984 20 0 BDADLO CC[N@@H+](C/C=C/Cl)C[C@H](O)C(F)(F)F ZINC000189480065 385158926 /nfs/dbraw/zinc/15/89/26/385158926.db2.gz YLRBMLFHFLAAAV-SDLBARTOSA-N 1 2 231.645 1.984 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccncc2)C[C@H](C)O1 ZINC000189462926 385159237 /nfs/dbraw/zinc/15/92/37/385159237.db2.gz JCFZZQDGNXRNBO-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccncc2)C[C@H](C)O1 ZINC000189462926 385159246 /nfs/dbraw/zinc/15/92/46/385159246.db2.gz JCFZZQDGNXRNBO-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO CC[NH+](CC)[C@H](C(=O)OC)c1cccnc1 ZINC000129596493 385166148 /nfs/dbraw/zinc/16/61/48/385166148.db2.gz HWNHRMSAYLJIFX-NSHDSACASA-N 1 2 222.288 1.638 20 0 BDADLO CCOCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000152261605 385169795 /nfs/dbraw/zinc/16/97/95/385169795.db2.gz XQMWCHUSIUJDOV-UHFFFAOYSA-N 1 2 237.303 1.856 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000152347303 385178459 /nfs/dbraw/zinc/17/84/59/385178459.db2.gz SBHYYFAZWUMNMM-GFCCVEGCSA-N 1 2 233.315 1.182 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000152347303 385178465 /nfs/dbraw/zinc/17/84/65/385178465.db2.gz SBHYYFAZWUMNMM-GFCCVEGCSA-N 1 2 233.315 1.182 20 0 BDADLO COCc1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000109598975 385179698 /nfs/dbraw/zinc/17/96/98/385179698.db2.gz TYLXUEXAQGELJU-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO COCc1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000109598975 385179703 /nfs/dbraw/zinc/17/97/03/385179703.db2.gz TYLXUEXAQGELJU-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO O[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110111607 385212378 /nfs/dbraw/zinc/21/23/78/385212378.db2.gz PLKHTDKGYSKFBG-SNVBAGLBSA-N 1 2 219.288 1.315 20 0 BDADLO CO[C@@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000190170515 385214851 /nfs/dbraw/zinc/21/48/51/385214851.db2.gz ISGBQDGJOFTBKJ-VIFPVBQESA-N 1 2 223.276 1.546 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000130427753 385248752 /nfs/dbraw/zinc/24/87/52/385248752.db2.gz QZBFISYKYAIQSA-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000130427753 385248756 /nfs/dbraw/zinc/24/87/56/385248756.db2.gz QZBFISYKYAIQSA-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cncc(C)c1 ZINC000189981360 385203189 /nfs/dbraw/zinc/20/31/89/385203189.db2.gz SQLBSQRGUXIIAR-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cncc(C)c1 ZINC000189981360 385203197 /nfs/dbraw/zinc/20/31/97/385203197.db2.gz SQLBSQRGUXIIAR-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131171080 385312575 /nfs/dbraw/zinc/31/25/75/385312575.db2.gz YNICZFPPNARQEC-UHFFFAOYSA-N 1 2 209.293 1.565 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc(C)no2)cn1 ZINC000116916501 385317902 /nfs/dbraw/zinc/31/79/02/385317902.db2.gz DBZFWMJZGMTLTA-UHFFFAOYSA-N 1 2 234.303 1.879 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCC1CC1 ZINC000643150047 385317948 /nfs/dbraw/zinc/31/79/48/385317948.db2.gz KCRSWYOSTMHHAL-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1F ZINC000191709273 385318093 /nfs/dbraw/zinc/31/80/93/385318093.db2.gz DBOYZPKWRYTFHA-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1F ZINC000191709273 385318096 /nfs/dbraw/zinc/31/80/96/385318096.db2.gz DBOYZPKWRYTFHA-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO O=C(C1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000290890562 385260357 /nfs/dbraw/zinc/26/03/57/385260357.db2.gz FTKQSJYPSKUUHT-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO O=C1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCN1 ZINC000177672782 385270352 /nfs/dbraw/zinc/27/03/52/385270352.db2.gz MSARBFJQKKBAGG-GFCCVEGCSA-N 1 2 234.274 1.245 20 0 BDADLO O=C1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCN1 ZINC000177672782 385270356 /nfs/dbraw/zinc/27/03/56/385270356.db2.gz MSARBFJQKKBAGG-GFCCVEGCSA-N 1 2 234.274 1.245 20 0 BDADLO Cc1cc(N(C)CCc2nccs2)nc[nH+]1 ZINC000157790833 385282338 /nfs/dbraw/zinc/28/23/38/385282338.db2.gz WFGDBKFVHSCPDM-UHFFFAOYSA-N 1 2 234.328 1.920 20 0 BDADLO C[C@@H](F)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000356640584 385283471 /nfs/dbraw/zinc/28/34/71/385283471.db2.gz DPRJSKHZXCLPGR-MRVPVSSYSA-N 1 2 213.256 1.207 20 0 BDADLO C[C@@H](F)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000356640584 385283475 /nfs/dbraw/zinc/28/34/75/385283475.db2.gz DPRJSKHZXCLPGR-MRVPVSSYSA-N 1 2 213.256 1.207 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)co1 ZINC000191090653 385284455 /nfs/dbraw/zinc/28/44/55/385284455.db2.gz SASSZRUCKAGCIC-QWRGUYRKSA-N 1 2 240.328 1.381 20 0 BDADLO c1nc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)co1 ZINC000191090653 385284458 /nfs/dbraw/zinc/28/44/58/385284458.db2.gz SASSZRUCKAGCIC-QWRGUYRKSA-N 1 2 240.328 1.381 20 0 BDADLO C[C@@H](CCCO)CNc1nc[nH+]c(N)c1Cl ZINC000294875957 385286156 /nfs/dbraw/zinc/28/61/56/385286156.db2.gz DSJHOOWLYCRGID-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@@H](CCCO)CNc1[nH+]cnc(N)c1Cl ZINC000294875957 385286163 /nfs/dbraw/zinc/28/61/63/385286163.db2.gz DSJHOOWLYCRGID-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CC1(OC)CCCC1 ZINC000308911536 385287791 /nfs/dbraw/zinc/28/77/91/385287791.db2.gz DVKSKUAXGDUDPW-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO Cc1ccc(F)c(C[NH+]2CCOCC2)c1 ZINC000154506779 385331883 /nfs/dbraw/zinc/33/18/83/385331883.db2.gz HDFCXXMCJSMZPG-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO Cc1ccc(NC(=O)C(=O)N2CCCC2)c(C)[nH+]1 ZINC000154656166 385344839 /nfs/dbraw/zinc/34/48/39/385344839.db2.gz SWKRQPKYPPXBML-UHFFFAOYSA-N 1 2 247.298 1.259 20 0 BDADLO CC[C@H]([NH2+]CCc1ccsc1)C(=O)OC ZINC000168327600 385353403 /nfs/dbraw/zinc/35/34/03/385353403.db2.gz QRYDITBGDYJPPW-JTQLQIEISA-N 1 2 227.329 1.832 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1=COCCC1 ZINC000154769384 385355392 /nfs/dbraw/zinc/35/53/92/385355392.db2.gz OANVBRJLIRAXFO-UHFFFAOYSA-N 1 2 249.314 1.426 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccccc1)C(=O)OC ZINC000168231231 385356304 /nfs/dbraw/zinc/35/63/04/385356304.db2.gz ALMDMFGYRFAKNS-GFCCVEGCSA-N 1 2 221.300 1.770 20 0 BDADLO FCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000280683975 385357317 /nfs/dbraw/zinc/35/73/17/385357317.db2.gz NOJGDFIBGBEZLJ-UHFFFAOYSA-N 1 2 219.263 1.931 20 0 BDADLO CC(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178351514 385359099 /nfs/dbraw/zinc/35/90/99/385359099.db2.gz HYQOSZZPAMJXQC-UHFFFAOYSA-N 1 2 217.272 1.607 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1CCCC1 ZINC000154845402 385360367 /nfs/dbraw/zinc/36/03/67/385360367.db2.gz ZYCZZGNSFANSGJ-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccn1 ZINC000154902987 385365439 /nfs/dbraw/zinc/36/54/39/385365439.db2.gz YVQKLNORTASQBR-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO FCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000280755116 385368437 /nfs/dbraw/zinc/36/84/37/385368437.db2.gz MUOMHBWFWABYNX-UHFFFAOYSA-N 1 2 210.256 1.680 20 0 BDADLO FCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000280755116 385368442 /nfs/dbraw/zinc/36/84/42/385368442.db2.gz MUOMHBWFWABYNX-UHFFFAOYSA-N 1 2 210.256 1.680 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000192806012 385371985 /nfs/dbraw/zinc/37/19/85/385371985.db2.gz PFGIXNZITLFHQO-RKDXNWHRSA-N 1 2 244.385 1.614 20 0 BDADLO C[C@@H](O)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000192806012 385371990 /nfs/dbraw/zinc/37/19/90/385371990.db2.gz PFGIXNZITLFHQO-RKDXNWHRSA-N 1 2 244.385 1.614 20 0 BDADLO CC[C@@H]([NH2+]CCc1c(C)noc1C)C(=O)OC ZINC000192847050 385374064 /nfs/dbraw/zinc/37/40/64/385374064.db2.gz RPNALIJJNPMLSQ-LLVKDONJSA-N 1 2 240.303 1.375 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1occc1C ZINC000155104392 385374729 /nfs/dbraw/zinc/37/47/29/385374729.db2.gz UMSDFZDFQZXZLC-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1occc1C ZINC000155104392 385374735 /nfs/dbraw/zinc/37/47/35/385374735.db2.gz UMSDFZDFQZXZLC-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccoc1 ZINC000155093828 385375575 /nfs/dbraw/zinc/37/55/75/385375575.db2.gz SDVKMZLIRDTJTA-UHFFFAOYSA-N 1 2 233.271 1.638 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000179668956 385378830 /nfs/dbraw/zinc/37/88/30/385378830.db2.gz IKCNVFPUWKXZMM-SECBINFHSA-N 1 2 213.306 1.149 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000179668956 385378835 /nfs/dbraw/zinc/37/88/35/385378835.db2.gz IKCNVFPUWKXZMM-SECBINFHSA-N 1 2 213.306 1.149 20 0 BDADLO CSC[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000180021991 385383003 /nfs/dbraw/zinc/38/30/03/385383003.db2.gz UQLSRBIRMLGWHX-VIFPVBQESA-N 1 2 229.374 1.866 20 0 BDADLO CSC[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000180021991 385383006 /nfs/dbraw/zinc/38/30/06/385383006.db2.gz UQLSRBIRMLGWHX-VIFPVBQESA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H](O)CSc1[nH+]cc2ccccn21 ZINC000193071028 385383846 /nfs/dbraw/zinc/38/38/46/385383846.db2.gz JUSPIKVDVVJCFG-MRVPVSSYSA-N 1 2 208.286 1.807 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2ccccc2C1 ZINC000154417498 385325181 /nfs/dbraw/zinc/32/51/81/385325181.db2.gz FONZKNZKVLSTAY-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2ccccc2C1 ZINC000154417498 385325187 /nfs/dbraw/zinc/32/51/87/385325187.db2.gz FONZKNZKVLSTAY-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO CCC[C@@](C)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000309067500 385393094 /nfs/dbraw/zinc/39/30/94/385393094.db2.gz AGMFICZUNSDJDR-GXSJLCMTSA-N 1 2 217.309 1.079 20 0 BDADLO CCOC(=O)C[NH2+]C(CC)(CC)CCO ZINC000309057667 385394637 /nfs/dbraw/zinc/39/46/37/385394637.db2.gz VCPPTTXSPFNNOC-UHFFFAOYSA-N 1 2 217.309 1.080 20 0 BDADLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000193494867 385398404 /nfs/dbraw/zinc/39/84/04/385398404.db2.gz CAZBIEGUBQLYRX-GXSJLCMTSA-N 1 2 237.303 1.149 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000193713108 385409752 /nfs/dbraw/zinc/40/97/52/385409752.db2.gz WNRLNTPCLSWSQD-UHFFFAOYSA-N 1 2 237.299 1.608 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC000193713108 385409753 /nfs/dbraw/zinc/40/97/53/385409753.db2.gz WNRLNTPCLSWSQD-UHFFFAOYSA-N 1 2 237.299 1.608 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cccc(C(N)=O)c2)[C@H]1C ZINC000156180095 385440392 /nfs/dbraw/zinc/44/03/92/385440392.db2.gz HZMIIOVKJWVQDM-QWRGUYRKSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cccc(C(N)=O)c2)[C@H]1C ZINC000156180095 385440395 /nfs/dbraw/zinc/44/03/95/385440395.db2.gz HZMIIOVKJWVQDM-QWRGUYRKSA-N 1 2 248.326 1.395 20 0 BDADLO COC(=O)CC[N@@H+]1CCC=C(Br)C1 ZINC000281730973 385447721 /nfs/dbraw/zinc/44/77/21/385447721.db2.gz WEIZTKLQMGTVDR-UHFFFAOYSA-N 1 2 248.120 1.534 20 0 BDADLO COC(=O)CC[N@H+]1CCC=C(Br)C1 ZINC000281730973 385447725 /nfs/dbraw/zinc/44/77/25/385447725.db2.gz WEIZTKLQMGTVDR-UHFFFAOYSA-N 1 2 248.120 1.534 20 0 BDADLO CC(C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000170864373 385451211 /nfs/dbraw/zinc/45/12/11/385451211.db2.gz BBHZUHMRZPNKSK-UHFFFAOYSA-N 1 2 217.272 1.815 20 0 BDADLO CCC[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866981 385454994 /nfs/dbraw/zinc/45/49/94/385454994.db2.gz QZMWPVSWNMFQOH-RXNFCKPNSA-N 1 2 237.303 1.090 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCCO1 ZINC000170956983 385458473 /nfs/dbraw/zinc/45/84/73/385458473.db2.gz IQBRZJPBRGLYGX-JTQLQIEISA-N 1 2 220.272 1.898 20 0 BDADLO COc1cc(C[NH2+]CC(F)(F)CO)ccc1C ZINC000194420407 385433501 /nfs/dbraw/zinc/43/35/01/385433501.db2.gz ISUHAVMQHWZOLQ-UHFFFAOYSA-N 1 2 245.269 1.721 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccccn2)[C@H]1C ZINC000156068238 385434052 /nfs/dbraw/zinc/43/40/52/385434052.db2.gz CBPNBLFQRUZJNM-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccccn2)[C@H]1C ZINC000156068238 385434055 /nfs/dbraw/zinc/43/40/55/385434055.db2.gz CBPNBLFQRUZJNM-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)cc1 ZINC000194426303 385435509 /nfs/dbraw/zinc/43/55/09/385435509.db2.gz RPPKSIXVTGZQMW-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000492801623 385437849 /nfs/dbraw/zinc/43/78/49/385437849.db2.gz PCNMPGZZABJRQG-SGUJLRQBSA-N 1 2 235.287 1.060 20 0 BDADLO COC(=O)c1coc(C[NH+]2CCSCC2)c1 ZINC000171109257 385466936 /nfs/dbraw/zinc/46/69/36/385466936.db2.gz XUDKJVKSBVWUSC-UHFFFAOYSA-N 1 2 241.312 1.615 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179471079 385468069 /nfs/dbraw/zinc/46/80/69/385468069.db2.gz IKIBAFXYUIDWPP-GFCCVEGCSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179471079 385468073 /nfs/dbraw/zinc/46/80/73/385468073.db2.gz IKIBAFXYUIDWPP-GFCCVEGCSA-N 1 2 246.318 1.147 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077901345 385472322 /nfs/dbraw/zinc/47/23/22/385472322.db2.gz XGHCKWAVZNSTTL-OUAUKWLOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077901345 385472324 /nfs/dbraw/zinc/47/23/24/385472324.db2.gz XGHCKWAVZNSTTL-OUAUKWLOSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2CCO)no1 ZINC000336719671 385460271 /nfs/dbraw/zinc/46/02/71/385460271.db2.gz VXTOOQLWGZTXFC-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]2CCO)no1 ZINC000336719671 385460277 /nfs/dbraw/zinc/46/02/77/385460277.db2.gz VXTOOQLWGZTXFC-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO Cn1ncc2c1nc(NCC1CCC1)[nH+]c2N ZINC000195183691 385461701 /nfs/dbraw/zinc/46/17/01/385461701.db2.gz TWLBJSQABBJEIV-UHFFFAOYSA-N 1 2 232.291 1.158 20 0 BDADLO CCc1cc(N2CCO[C@@H]3C[C@@H]32)nc(C)[nH+]1 ZINC000644135354 385517424 /nfs/dbraw/zinc/51/74/24/385517424.db2.gz AYUGRAIZAPIAFZ-WDEREUQCSA-N 1 2 219.288 1.325 20 0 BDADLO CC[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000179816620 385492813 /nfs/dbraw/zinc/49/28/13/385492813.db2.gz QTAUYIRDXPBNTO-SECBINFHSA-N 1 2 223.276 1.282 20 0 BDADLO COC(=O)[C@@H](C)CNc1cc[nH+]c(C(C)C)n1 ZINC000110481141 385493031 /nfs/dbraw/zinc/49/30/31/385493031.db2.gz OTXZSHLDWVLPKR-VIFPVBQESA-N 1 2 237.303 1.821 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1(CO)CCC1 ZINC000179850984 385493885 /nfs/dbraw/zinc/49/38/85/385493885.db2.gz HPTIQAHAGGYMBS-UHFFFAOYSA-N 1 2 235.287 1.427 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619398 385501253 /nfs/dbraw/zinc/50/12/53/385501253.db2.gz JUSJFQYPQJBBGC-VIFPVBQESA-N 1 2 243.310 1.400 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619398 385501256 /nfs/dbraw/zinc/50/12/56/385501256.db2.gz JUSJFQYPQJBBGC-VIFPVBQESA-N 1 2 243.310 1.400 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cccc3nccn32)[C@H]1C ZINC000180257042 385516117 /nfs/dbraw/zinc/51/61/17/385516117.db2.gz VWIPABBANOAIFS-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cccc3nccn32)[C@H]1C ZINC000180257042 385516119 /nfs/dbraw/zinc/51/61/19/385516119.db2.gz VWIPABBANOAIFS-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1OCCN(Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000180257042 385516120 /nfs/dbraw/zinc/51/61/20/385516120.db2.gz VWIPABBANOAIFS-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO CCOCCO[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000157810474 385524069 /nfs/dbraw/zinc/52/40/69/385524069.db2.gz FIOGAMAORXVXNA-NSHDSACASA-N 1 2 239.319 1.037 20 0 BDADLO CCOCCO[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000157810474 385524072 /nfs/dbraw/zinc/52/40/72/385524072.db2.gz FIOGAMAORXVXNA-NSHDSACASA-N 1 2 239.319 1.037 20 0 BDADLO CO[C@@H](C)CSc1[nH+]cnc2c1cnn2C ZINC000180951080 385556546 /nfs/dbraw/zinc/55/65/46/385556546.db2.gz IBWDGWLRUKRHCQ-ZETCQYMHSA-N 1 2 238.316 1.490 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000408128535 385557420 /nfs/dbraw/zinc/55/74/20/385557420.db2.gz JUDOAWYPDRVYOO-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000408128535 385557423 /nfs/dbraw/zinc/55/74/23/385557423.db2.gz JUDOAWYPDRVYOO-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493293999 385560384 /nfs/dbraw/zinc/56/03/84/385560384.db2.gz VQHXUMCHEFLFOY-SKRYNEFJSA-N 1 2 247.220 1.738 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)c(=O)[nH]1 ZINC000107290427 385561268 /nfs/dbraw/zinc/56/12/68/385561268.db2.gz SQSZSVQKHNJWOG-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccc[nH]c1=O ZINC000107292932 385561325 /nfs/dbraw/zinc/56/13/25/385561325.db2.gz GPOYPRNNSBVBDO-UHFFFAOYSA-N 1 2 229.239 1.743 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCOC2(CCC2)C1 ZINC000335139340 385563728 /nfs/dbraw/zinc/56/37/28/385563728.db2.gz PCMRTIMAFLIMJO-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCOC2(CCC2)C1 ZINC000335139340 385563729 /nfs/dbraw/zinc/56/37/29/385563729.db2.gz PCMRTIMAFLIMJO-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)NC1CC1 ZINC000181442022 385577359 /nfs/dbraw/zinc/57/73/59/385577359.db2.gz OCYHWKVPDJQYKU-UHFFFAOYSA-N 1 2 245.326 1.325 20 0 BDADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)NC1CC1 ZINC000181442022 385577363 /nfs/dbraw/zinc/57/73/63/385577363.db2.gz OCYHWKVPDJQYKU-UHFFFAOYSA-N 1 2 245.326 1.325 20 0 BDADLO COC[C@@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000181696623 385595938 /nfs/dbraw/zinc/59/59/38/385595938.db2.gz ARWBNXWSMHNCQH-GFCCVEGCSA-N 1 2 246.314 1.292 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000280817216 385606744 /nfs/dbraw/zinc/60/67/44/385606744.db2.gz MUPGLGZGHXJAJW-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2CCC=C(C)C2)n1 ZINC000280817216 385606749 /nfs/dbraw/zinc/60/67/49/385606749.db2.gz MUPGLGZGHXJAJW-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cncc(C)c1 ZINC000280788991 385604320 /nfs/dbraw/zinc/60/43/20/385604320.db2.gz QVSNVVSOTFQJLR-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cncc(C)c1 ZINC000280788991 385604325 /nfs/dbraw/zinc/60/43/25/385604325.db2.gz QVSNVVSOTFQJLR-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO Cc1nnc(NCc2c[nH+]c3ccc(C)cn23)o1 ZINC000181496585 385581587 /nfs/dbraw/zinc/58/15/87/385581587.db2.gz QCQPHLLYDZXXNC-UHFFFAOYSA-N 1 2 243.270 1.946 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC1(C)C ZINC000337357861 385617261 /nfs/dbraw/zinc/61/72/61/385617261.db2.gz BJOCKINPTFAUSH-UWVGGRQHSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1csc(CNCc2[nH+]cc(C)n2C)n1 ZINC000336679260 385622570 /nfs/dbraw/zinc/62/25/70/385622570.db2.gz CNCPULIGOQUJEQ-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO CN(c1nc[nH+]c(N)c1Cl)[C@H]1CCCOC1 ZINC000336651319 385623046 /nfs/dbraw/zinc/62/30/46/385623046.db2.gz FBZMQRQADPSJBY-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO CN(c1[nH+]cnc(N)c1Cl)[C@H]1CCCOC1 ZINC000336651319 385623050 /nfs/dbraw/zinc/62/30/50/385623050.db2.gz FBZMQRQADPSJBY-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO Cc1cc(N[C@@H]2CC[C@H]2O)nc(C(C)C)[nH+]1 ZINC000382027491 385627933 /nfs/dbraw/zinc/62/79/33/385627933.db2.gz SLPMBVIAKCYZTM-NXEZZACHSA-N 1 2 221.304 1.266 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1csc(C)n1 ZINC000280866252 385612684 /nfs/dbraw/zinc/61/26/84/385612684.db2.gz ZDOGNDQNFYTCIU-QMMMGPOBSA-N 1 2 242.344 1.487 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1csc(C)n1 ZINC000280866252 385612691 /nfs/dbraw/zinc/61/26/91/385612691.db2.gz ZDOGNDQNFYTCIU-QMMMGPOBSA-N 1 2 242.344 1.487 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000281223303 385645865 /nfs/dbraw/zinc/64/58/65/385645865.db2.gz KMADSJDYCADIBA-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc[nH]n1 ZINC000281223303 385645870 /nfs/dbraw/zinc/64/58/70/385645870.db2.gz KMADSJDYCADIBA-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO O=C(c1ccc(F)cn1)N1CC[NH+](C2CC2)CC1 ZINC000182302378 385653670 /nfs/dbraw/zinc/65/36/70/385653670.db2.gz COVYJSYDSVSGMV-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO C[C@@H]1OCC[C@@H]1SCc1c[nH+]cn1C ZINC000269970876 385654601 /nfs/dbraw/zinc/65/46/01/385654601.db2.gz OIVWJIYUYHFOSE-WPRPVWTQSA-N 1 2 212.318 1.831 20 0 BDADLO CCc1cccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000337430801 385658118 /nfs/dbraw/zinc/65/81/18/385658118.db2.gz YXNROFUMKCEPSM-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1cccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000337430801 385658122 /nfs/dbraw/zinc/65/81/22/385658122.db2.gz YXNROFUMKCEPSM-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)s1 ZINC000336734298 385660836 /nfs/dbraw/zinc/66/08/36/385660836.db2.gz HEYUIBQVDJUEDR-RQJHMYQMSA-N 1 2 237.332 1.981 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)s1 ZINC000336734296 385661310 /nfs/dbraw/zinc/66/13/10/385661310.db2.gz HEYUIBQVDJUEDR-NKWVEPMBSA-N 1 2 237.332 1.981 20 0 BDADLO CS[C@@H](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000270148062 385675060 /nfs/dbraw/zinc/67/50/60/385675060.db2.gz QROPOYWMXOIDLM-VIFPVBQESA-N 1 2 241.360 1.520 20 0 BDADLO CS[C@H](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000270148058 385675203 /nfs/dbraw/zinc/67/52/03/385675203.db2.gz QROPOYWMXOIDLM-SECBINFHSA-N 1 2 241.360 1.520 20 0 BDADLO C[C@@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCOC1 ZINC000270132718 385676438 /nfs/dbraw/zinc/67/64/38/385676438.db2.gz OCGMKPZQYWPKKL-CYBMUJFWSA-N 1 2 245.282 1.243 20 0 BDADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000414527445 385678441 /nfs/dbraw/zinc/67/84/41/385678441.db2.gz MZWPOSNRJGIRJA-LLVKDONJSA-N 1 2 249.289 1.415 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CCC(C)C)C(=O)OC ZINC000309549517 385682021 /nfs/dbraw/zinc/68/20/21/385682021.db2.gz HRGSOYRVGVXSOM-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO COc1cc(C)[nH+]c(CN(C)[C@H]2CCOC2)c1 ZINC000270205047 385685273 /nfs/dbraw/zinc/68/52/73/385685273.db2.gz CUVSRHKXPPRUEJ-LBPRGKRZSA-N 1 2 236.315 1.619 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000645224914 385692338 /nfs/dbraw/zinc/69/23/38/385692338.db2.gz ARKRZYUEITZPOC-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000645224914 385692345 /nfs/dbraw/zinc/69/23/45/385692345.db2.gz ARKRZYUEITZPOC-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO COc1ccc([C@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184697150 385693510 /nfs/dbraw/zinc/69/35/10/385693510.db2.gz MBYVYHJQFPHLNV-VIFPVBQESA-N 1 2 245.269 1.973 20 0 BDADLO COc1cc(C)[nH+]c(CN(C)Cc2nc[nH]n2)c1 ZINC000270318562 385695610 /nfs/dbraw/zinc/69/56/10/385695610.db2.gz QXHQDDJAKUFMSL-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO COc1cc(C)[nH+]c(CN(C)Cc2nnc[nH]2)c1 ZINC000270318562 385695614 /nfs/dbraw/zinc/69/56/14/385695614.db2.gz QXHQDDJAKUFMSL-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000270462035 385709355 /nfs/dbraw/zinc/70/93/55/385709355.db2.gz LJYVAWLCFLGJIR-IINYFYTJSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cn(C(C)C)nn1 ZINC000340040395 385718415 /nfs/dbraw/zinc/71/84/15/385718415.db2.gz GODFKMBVZQJECM-UHFFFAOYSA-N 1 2 245.286 1.237 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](F)C1 ZINC000451203513 385709910 /nfs/dbraw/zinc/70/99/10/385709910.db2.gz ZIQPFBXOMDMADR-NXEZZACHSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](F)C1 ZINC000451203513 385709914 /nfs/dbraw/zinc/70/99/14/385709914.db2.gz ZIQPFBXOMDMADR-NXEZZACHSA-N 1 2 217.284 1.618 20 0 BDADLO Cc1ccoc1CNc1[nH+]cnc2c1cnn2C ZINC000291800247 385711410 /nfs/dbraw/zinc/71/14/10/385711410.db2.gz JLADCFFCLXCETF-UHFFFAOYSA-N 1 2 243.270 1.877 20 0 BDADLO C[C@](O)(C[N@@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000281891173 385712795 /nfs/dbraw/zinc/71/27/95/385712795.db2.gz DWASROCJECLCTR-VIFPVBQESA-N 1 2 249.236 1.081 20 0 BDADLO C[C@](O)(C[N@H+]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000281891173 385712800 /nfs/dbraw/zinc/71/28/00/385712800.db2.gz DWASROCJECLCTR-VIFPVBQESA-N 1 2 249.236 1.081 20 0 BDADLO COc1cc(C)[nH+]c(CSc2nc[nH]n2)c1 ZINC000270102585 385669016 /nfs/dbraw/zinc/66/90/16/385669016.db2.gz FLZDGSXDPGLFNB-UHFFFAOYSA-N 1 2 236.300 1.809 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000408375437 385743366 /nfs/dbraw/zinc/74/33/66/385743366.db2.gz OQWJSRSLCOGSRB-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000408375437 385743369 /nfs/dbraw/zinc/74/33/69/385743369.db2.gz OQWJSRSLCOGSRB-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000230639876 385744472 /nfs/dbraw/zinc/74/44/72/385744472.db2.gz YPOQOONDNQSTNN-QMMMGPOBSA-N 1 2 241.360 1.580 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CC=CCC2)c[nH+]1 ZINC000061680406 385745542 /nfs/dbraw/zinc/74/55/42/385745542.db2.gz UHWPKCZDLYREJN-VIFPVBQESA-N 1 2 217.272 1.959 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000282275031 385746646 /nfs/dbraw/zinc/74/66/46/385746646.db2.gz KQYUOZIYUMSZNA-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1ccoc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000282275031 385746648 /nfs/dbraw/zinc/74/66/48/385746648.db2.gz KQYUOZIYUMSZNA-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnnn1C ZINC000270995906 385767965 /nfs/dbraw/zinc/76/79/65/385767965.db2.gz JPVIROBOIMOCTO-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnnn1C ZINC000270995906 385767971 /nfs/dbraw/zinc/76/79/71/385767971.db2.gz JPVIROBOIMOCTO-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000282539849 385770851 /nfs/dbraw/zinc/77/08/51/385770851.db2.gz QXLITPGUKFUVQW-DKCNOQQISA-N 1 2 237.303 1.148 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000309661616 385771228 /nfs/dbraw/zinc/77/12/28/385771228.db2.gz RNNOLWUPZGDYJV-DCAQKATOSA-N 1 2 229.320 1.343 20 0 BDADLO CN(Cc1noc(C2CC2)n1)Cc1[nH+]ccn1C ZINC000271043548 385774193 /nfs/dbraw/zinc/77/41/93/385774193.db2.gz UOUJFLIUQMQJOD-UHFFFAOYSA-N 1 2 247.302 1.313 20 0 BDADLO CSCC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000282653348 385777936 /nfs/dbraw/zinc/77/79/36/385777936.db2.gz UNQNJYNZWMTZBZ-UHFFFAOYSA-N 1 2 241.360 1.389 20 0 BDADLO CCc1ccc(CC[N@H+](C)CC(=O)OC)cc1 ZINC000258825881 385779379 /nfs/dbraw/zinc/77/93/79/385779379.db2.gz ASMHHEDGJDHVFF-UHFFFAOYSA-N 1 2 235.327 1.896 20 0 BDADLO CCc1ccc(CC[N@@H+](C)CC(=O)OC)cc1 ZINC000258825881 385779383 /nfs/dbraw/zinc/77/93/83/385779383.db2.gz ASMHHEDGJDHVFF-UHFFFAOYSA-N 1 2 235.327 1.896 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000271068441 385780965 /nfs/dbraw/zinc/78/09/65/385780965.db2.gz HVUPJNHCXJOEKA-NSHDSACASA-N 1 2 235.331 1.553 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000271068441 385780971 /nfs/dbraw/zinc/78/09/71/385780971.db2.gz HVUPJNHCXJOEKA-NSHDSACASA-N 1 2 235.331 1.553 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000335541756 385782873 /nfs/dbraw/zinc/78/28/73/385782873.db2.gz CKNGHLOLWXJPFG-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000335541756 385782876 /nfs/dbraw/zinc/78/28/76/385782876.db2.gz CKNGHLOLWXJPFG-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H](C)CO ZINC000294006774 385785139 /nfs/dbraw/zinc/78/51/39/385785139.db2.gz PFPXDPYXJAUKKF-JTQLQIEISA-N 1 2 247.298 1.177 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cncs2)n1 ZINC000283840484 385797920 /nfs/dbraw/zinc/79/79/20/385797920.db2.gz FMSHADLZKQRUQZ-UHFFFAOYSA-N 1 2 238.316 1.859 20 0 BDADLO CC(C)C1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000335583792 385817758 /nfs/dbraw/zinc/81/77/58/385817758.db2.gz FYROUHACXUSFOF-UHFFFAOYSA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000335583792 385817763 /nfs/dbraw/zinc/81/77/63/385817763.db2.gz FYROUHACXUSFOF-UHFFFAOYSA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)C1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000335583792 385817767 /nfs/dbraw/zinc/81/77/67/385817767.db2.gz FYROUHACXUSFOF-UHFFFAOYSA-N 1 2 208.309 1.673 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000231844416 385824037 /nfs/dbraw/zinc/82/40/37/385824037.db2.gz KNCMZJYDHFCQQU-DTWKUNHWSA-N 1 2 241.360 1.661 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000186996463 385824353 /nfs/dbraw/zinc/82/43/53/385824353.db2.gz QRZYDRNZPXSUFH-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000186996463 385824356 /nfs/dbraw/zinc/82/43/56/385824356.db2.gz QRZYDRNZPXSUFH-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000283587808 385825052 /nfs/dbraw/zinc/82/50/52/385825052.db2.gz XBNNRJCSFDTZBK-RUULKOMLSA-N 1 2 247.298 1.203 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000271424282 385827162 /nfs/dbraw/zinc/82/71/62/385827162.db2.gz VNAXBSUKIVBYSH-SCZZXKLOSA-N 1 2 237.303 1.263 20 0 BDADLO COc1cc(C[NH2+]Cc2ncc(C)o2)ccn1 ZINC000638541589 385829449 /nfs/dbraw/zinc/82/94/49/385829449.db2.gz JSHAKNLFOUSIEI-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COC(=O)[C@H](C)C[N@H+](C)Cc1nnc(C)s1 ZINC000271455003 385830916 /nfs/dbraw/zinc/83/09/16/385830916.db2.gz SIYXPPDLNNGNRK-SSDOTTSWSA-N 1 2 243.332 1.087 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000271455003 385830918 /nfs/dbraw/zinc/83/09/18/385830918.db2.gz SIYXPPDLNNGNRK-SSDOTTSWSA-N 1 2 243.332 1.087 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]CC2=CCCOC2)n1 ZINC000283957468 385842263 /nfs/dbraw/zinc/84/22/63/385842263.db2.gz KLOVZNGBWUKNBK-UHFFFAOYSA-N 1 2 237.303 1.549 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000283966571 385842529 /nfs/dbraw/zinc/84/25/29/385842529.db2.gz IWLKMZVLYOCEEJ-JTQLQIEISA-N 1 2 231.303 1.608 20 0 BDADLO CCCc1cc(C(=O)NCCn2cc[nH+]c2)no1 ZINC000294380528 385842871 /nfs/dbraw/zinc/84/28/71/385842871.db2.gz HIQGTGPHMUMMFE-UHFFFAOYSA-N 1 2 248.286 1.254 20 0 BDADLO O=C(CCCn1cccc1)NCCn1cc[nH+]c1 ZINC000294405545 385845936 /nfs/dbraw/zinc/84/59/36/385845936.db2.gz ISDJXMQMQWEBMJ-UHFFFAOYSA-N 1 2 246.314 1.281 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000284142498 385854051 /nfs/dbraw/zinc/85/40/51/385854051.db2.gz WCCQUIQMEUHLJK-CDAZIORVSA-N 1 2 245.286 1.034 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccncc1F ZINC000337951516 385859074 /nfs/dbraw/zinc/85/90/74/385859074.db2.gz QVBBEIQAFBFFCH-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000294478710 385855432 /nfs/dbraw/zinc/85/54/32/385855432.db2.gz DGHRCRLNEPDEHM-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO CCO[C@@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000294477602 385856250 /nfs/dbraw/zinc/85/62/50/385856250.db2.gz IYBSBDKRNNKFGK-VIFPVBQESA-N 1 2 238.287 1.131 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)[C@@H]1CCOC1 ZINC000294725456 385887700 /nfs/dbraw/zinc/88/77/00/385887700.db2.gz GLFSALVVLDSHHE-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)[C@@H]1CCOC1 ZINC000294725456 385887706 /nfs/dbraw/zinc/88/77/06/385887706.db2.gz GLFSALVVLDSHHE-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000408259185 385893940 /nfs/dbraw/zinc/89/39/40/385893940.db2.gz HUSGPKDFXOYJTR-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000408259185 385893945 /nfs/dbraw/zinc/89/39/45/385893945.db2.gz HUSGPKDFXOYJTR-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)[nH]1 ZINC000408391822 385894784 /nfs/dbraw/zinc/89/47/84/385894784.db2.gz FFYVNPHUJWMNFV-VIFPVBQESA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)[nH]1 ZINC000408391822 385894787 /nfs/dbraw/zinc/89/47/87/385894787.db2.gz FFYVNPHUJWMNFV-VIFPVBQESA-N 1 2 238.335 1.059 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000294798975 385898108 /nfs/dbraw/zinc/89/81/08/385898108.db2.gz LHOCGKOJMHCEAN-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000294798975 385898111 /nfs/dbraw/zinc/89/81/11/385898111.db2.gz LHOCGKOJMHCEAN-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO COC[C@H]1C[N@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000294811815 385899747 /nfs/dbraw/zinc/89/97/47/385899747.db2.gz WVCBTPLDFIPFAE-BXKDBHETSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000294811815 385899748 /nfs/dbraw/zinc/89/97/48/385899748.db2.gz WVCBTPLDFIPFAE-BXKDBHETSA-N 1 2 240.303 1.219 20 0 BDADLO CC[N@H+](CCO)Cc1ncc(CSC)s1 ZINC000294838545 385901976 /nfs/dbraw/zinc/90/19/76/385901976.db2.gz HRTGCNSKSGPQAW-UHFFFAOYSA-N 1 2 246.401 1.820 20 0 BDADLO CC[N@@H+](CCO)Cc1ncc(CSC)s1 ZINC000294838545 385901977 /nfs/dbraw/zinc/90/19/77/385901977.db2.gz HRTGCNSKSGPQAW-UHFFFAOYSA-N 1 2 246.401 1.820 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCc3c2cccc3F)n1 ZINC000218746563 385906307 /nfs/dbraw/zinc/90/63/07/385906307.db2.gz ZYXVQGYHFWUJKZ-GFCCVEGCSA-N 1 2 246.289 1.731 20 0 BDADLO Cc1nc(N[C@@H]2CCS[C@@H]2C)nc(N)[nH+]1 ZINC000308919452 385908141 /nfs/dbraw/zinc/90/81/41/385908141.db2.gz IKQLVXNATNEYMY-IYSWYEEDSA-N 1 2 225.321 1.068 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCS[C@@H]2C)[nH+]1 ZINC000308919452 385908143 /nfs/dbraw/zinc/90/81/43/385908143.db2.gz IKQLVXNATNEYMY-IYSWYEEDSA-N 1 2 225.321 1.068 20 0 BDADLO CN(CC1CC1)c1nc[nH+]c2c1OCCN2 ZINC000647857901 385914383 /nfs/dbraw/zinc/91/43/83/385914383.db2.gz RNYFJAJZLCVXFU-UHFFFAOYSA-N 1 2 220.276 1.127 20 0 BDADLO CN(CC1CC1)c1[nH+]cnc2c1OCCN2 ZINC000647857901 385914384 /nfs/dbraw/zinc/91/43/84/385914384.db2.gz RNYFJAJZLCVXFU-UHFFFAOYSA-N 1 2 220.276 1.127 20 0 BDADLO CC[C@@H](CO)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000294938137 385921526 /nfs/dbraw/zinc/92/15/26/385921526.db2.gz LHOIICNXYJLJBI-NSHDSACASA-N 1 2 249.358 1.871 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)s1 ZINC000294967218 385926939 /nfs/dbraw/zinc/92/69/39/385926939.db2.gz ISZRZMOWACFYBF-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)s1 ZINC000294967218 385926946 /nfs/dbraw/zinc/92/69/46/385926946.db2.gz ISZRZMOWACFYBF-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc[nH+]1 ZINC000355971205 385859387 /nfs/dbraw/zinc/85/93/87/385859387.db2.gz CIBUEMXAKINZRP-IJLUTSLNSA-N 1 2 232.283 1.175 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOC[C@@H]1C1CC1 ZINC000284349444 385863666 /nfs/dbraw/zinc/86/36/66/385863666.db2.gz KAWLSJYUALADCY-AAOUONPWSA-N 1 2 247.298 1.060 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(C)(Cl)Cl ZINC000271968917 385863899 /nfs/dbraw/zinc/86/38/99/385863899.db2.gz PXYKJDZYOKZYFS-UHFFFAOYSA-N 1 2 236.102 1.230 20 0 BDADLO C[N@H+](CCCOc1ccccc1)Cc1cnn[nH]1 ZINC000284369074 385863933 /nfs/dbraw/zinc/86/39/33/385863933.db2.gz UAUDJUNYHDOWLH-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO C[N@@H+](CCCOc1ccccc1)Cc1cnn[nH]1 ZINC000284369074 385863935 /nfs/dbraw/zinc/86/39/35/385863935.db2.gz UAUDJUNYHDOWLH-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO C[N@H+](CCCOc1ccccc1)Cc1c[nH]nn1 ZINC000284369074 385863940 /nfs/dbraw/zinc/86/39/40/385863940.db2.gz UAUDJUNYHDOWLH-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO C[N@@H+](CCCOc1ccccc1)Cc1c[nH]nn1 ZINC000284369074 385863945 /nfs/dbraw/zinc/86/39/45/385863945.db2.gz UAUDJUNYHDOWLH-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO C[N@H+](CCCOc1ccccc1)Cc1cn[nH]n1 ZINC000284369074 385863948 /nfs/dbraw/zinc/86/39/48/385863948.db2.gz UAUDJUNYHDOWLH-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO C[N@@H+](CCCOc1ccccc1)Cc1cn[nH]n1 ZINC000284369074 385863953 /nfs/dbraw/zinc/86/39/53/385863953.db2.gz UAUDJUNYHDOWLH-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ncccc1O ZINC000338014415 385879857 /nfs/dbraw/zinc/87/98/57/385879857.db2.gz GIEYKSRBMANWPA-UHFFFAOYSA-N 1 2 232.243 1.013 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000338255015 385928385 /nfs/dbraw/zinc/92/83/85/385928385.db2.gz GTULNKYSWUUWAL-UHFFFAOYSA-N 1 2 226.242 1.349 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000338255015 385928392 /nfs/dbraw/zinc/92/83/92/385928392.db2.gz GTULNKYSWUUWAL-UHFFFAOYSA-N 1 2 226.242 1.349 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)CCO1 ZINC000338391238 385991353 /nfs/dbraw/zinc/99/13/53/385991353.db2.gz AKYYVLRRMHTBTJ-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)CCO1 ZINC000338391238 385991358 /nfs/dbraw/zinc/99/13/58/385991358.db2.gz AKYYVLRRMHTBTJ-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1ccoc1 ZINC000345098598 385995290 /nfs/dbraw/zinc/99/52/90/385995290.db2.gz PFNJHRCFLBACDA-UHFFFAOYSA-N 1 2 210.277 1.238 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345098598 385995298 /nfs/dbraw/zinc/99/52/98/385995298.db2.gz PFNJHRCFLBACDA-UHFFFAOYSA-N 1 2 210.277 1.238 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1conc1C ZINC000294985309 385933670 /nfs/dbraw/zinc/93/36/70/385933670.db2.gz STIAGJUUTNGXNS-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1conc1C ZINC000294985309 385933674 /nfs/dbraw/zinc/93/36/74/385933674.db2.gz STIAGJUUTNGXNS-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO c1nc(N[C@@H]2CCC[C@H]3C[C@H]32)c2c([nH+]1)NCCO2 ZINC000645383856 385937175 /nfs/dbraw/zinc/93/71/75/385937175.db2.gz ZSUXVBHCTSMWNJ-IVZWLZJFSA-N 1 2 246.314 1.881 20 0 BDADLO c1nc2c(c(N[C@@H]3CCC[C@H]4C[C@H]43)[nH+]1)OCCN2 ZINC000645383856 385937178 /nfs/dbraw/zinc/93/71/78/385937178.db2.gz ZSUXVBHCTSMWNJ-IVZWLZJFSA-N 1 2 246.314 1.881 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000285523496 385937703 /nfs/dbraw/zinc/93/77/03/385937703.db2.gz RVNOORGDKNULAU-VHSXEESVSA-N 1 2 248.282 1.528 20 0 BDADLO c1cn(CCCO[C@H]2CCCCO2)c[nH+]1 ZINC000338273616 385939811 /nfs/dbraw/zinc/93/98/11/385939811.db2.gz HHDOUDJDEWXXEZ-NSHDSACASA-N 1 2 210.277 1.816 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295002011 385941324 /nfs/dbraw/zinc/94/13/24/385941324.db2.gz OFMYICQMCQEBBH-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295002011 385941329 /nfs/dbraw/zinc/94/13/29/385941329.db2.gz OFMYICQMCQEBBH-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000336768251 385942660 /nfs/dbraw/zinc/94/26/60/385942660.db2.gz QRQMUROLCKNILE-NXEZZACHSA-N 1 2 223.320 1.857 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000338307434 385952619 /nfs/dbraw/zinc/95/26/19/385952619.db2.gz ORHDKAUZQIBJHB-SNVBAGLBSA-N 1 2 238.335 1.254 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000338307434 385952624 /nfs/dbraw/zinc/95/26/24/385952624.db2.gz ORHDKAUZQIBJHB-SNVBAGLBSA-N 1 2 238.335 1.254 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)cn1 ZINC000338302696 385953651 /nfs/dbraw/zinc/95/36/51/385953651.db2.gz DZMCCZYBKGWCSZ-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)cn1 ZINC000338302696 385953652 /nfs/dbraw/zinc/95/36/52/385953652.db2.gz DZMCCZYBKGWCSZ-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCCS1 ZINC000272998407 385959092 /nfs/dbraw/zinc/95/90/92/385959092.db2.gz UHYDQCUAKRADIC-VIFPVBQESA-N 1 2 239.344 1.322 20 0 BDADLO COC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000336746706 385963936 /nfs/dbraw/zinc/96/39/36/385963936.db2.gz WTFVZUWMCZIOKM-GFCCVEGCSA-N 1 2 229.320 1.080 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000345060105 385966253 /nfs/dbraw/zinc/96/62/53/385966253.db2.gz PTTOPSXLSRITBS-WDEREUQCSA-N 1 2 221.304 1.436 20 0 BDADLO COc1nccc(CNc2ccc[nH+]c2C)n1 ZINC000295592041 385967163 /nfs/dbraw/zinc/96/71/63/385967163.db2.gz FFSPWPJPFMXFGA-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C1CCC1 ZINC000425419458 385994458 /nfs/dbraw/zinc/99/44/58/385994458.db2.gz NKOBGECSYCZRGL-UHFFFAOYSA-N 1 2 217.219 1.992 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C1CCC1 ZINC000425419458 385994463 /nfs/dbraw/zinc/99/44/63/385994463.db2.gz NKOBGECSYCZRGL-UHFFFAOYSA-N 1 2 217.219 1.992 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+](C)C[C@H](C)OC)n1 ZINC000285892770 385974743 /nfs/dbraw/zinc/97/47/43/385974743.db2.gz ZJPIAUDAVUEWIV-VIFPVBQESA-N 1 2 239.319 1.211 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000285892770 385974749 /nfs/dbraw/zinc/97/47/49/385974749.db2.gz ZJPIAUDAVUEWIV-VIFPVBQESA-N 1 2 239.319 1.211 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)[C@@]1(C)CCCO1 ZINC000336751554 386010279 /nfs/dbraw/zinc/01/02/79/386010279.db2.gz GMIIHNPLGBMANH-DTWKUNHWSA-N 1 2 223.263 1.161 20 0 BDADLO Cc1cc(CNC(=O)C2(O)CCCC2)cc(C)[nH+]1 ZINC000335069836 386018121 /nfs/dbraw/zinc/01/81/21/386018121.db2.gz RXBPBMMURKMHLE-UHFFFAOYSA-N 1 2 248.326 1.620 20 0 BDADLO C[N@H+](Cc1sccc1Cl)[C@@H]1CCNC1=O ZINC000335060232 386023421 /nfs/dbraw/zinc/02/34/21/386023421.db2.gz ZJANQEGYLLAAQL-MRVPVSSYSA-N 1 2 244.747 1.722 20 0 BDADLO C[N@@H+](Cc1sccc1Cl)[C@@H]1CCNC1=O ZINC000335060232 386023429 /nfs/dbraw/zinc/02/34/29/386023429.db2.gz ZJANQEGYLLAAQL-MRVPVSSYSA-N 1 2 244.747 1.722 20 0 BDADLO Cc1cc(CNC(=O)[C@@]2(C)CCOC2)cc(C)[nH+]1 ZINC000335072305 386024731 /nfs/dbraw/zinc/02/47/31/386024731.db2.gz DQZOZLXFEKIKLT-AWEZNQCLSA-N 1 2 248.326 1.741 20 0 BDADLO Cc1nnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000286335450 386027185 /nfs/dbraw/zinc/02/71/85/386027185.db2.gz VQWAXTHCXBBJRI-SNVBAGLBSA-N 1 2 245.286 1.464 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC000643279226 386029955 /nfs/dbraw/zinc/02/99/55/386029955.db2.gz TXOSASBINIXXTL-SNVBAGLBSA-N 1 2 239.294 1.311 20 0 BDADLO C[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)C[C@H]1F ZINC000335063731 386032732 /nfs/dbraw/zinc/03/27/32/386032732.db2.gz VTCFHLSULKTMSP-MFKMUULPSA-N 1 2 247.273 1.699 20 0 BDADLO C[NH2+]Cc1noc([C@H]2CCC[C@H](F)C2)n1 ZINC000335074179 386038522 /nfs/dbraw/zinc/03/85/22/386038522.db2.gz AFVLJQMLBOQGBX-YUMQZZPRSA-N 1 2 213.256 1.785 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@H]1CC(F)F ZINC000286441291 386039129 /nfs/dbraw/zinc/03/91/29/386039129.db2.gz LUDNBGWYEXAWII-SECBINFHSA-N 1 2 245.273 1.276 20 0 BDADLO CCC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000335075521 386042880 /nfs/dbraw/zinc/04/28/80/386042880.db2.gz HGYHHJXQAXUVSA-UHFFFAOYSA-N 1 2 221.304 1.556 20 0 BDADLO CC[C@H](NC(=O)Nc1cc[nH+]cc1C)[C@H](C)O ZINC000455030567 386051183 /nfs/dbraw/zinc/05/11/83/386051183.db2.gz DNQFSDKXSLGJRP-UWVGGRQHSA-N 1 2 237.303 1.093 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ncnn1C ZINC000340508058 386054517 /nfs/dbraw/zinc/05/45/17/386054517.db2.gz IHXGWYKXKZZMNH-DTWKUNHWSA-N 1 2 249.293 1.761 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]1C(F)(F)F ZINC000647754144 386104764 /nfs/dbraw/zinc/10/47/64/386104764.db2.gz KGYLNURDDWPYHF-MRVPVSSYSA-N 1 2 247.220 1.436 20 0 BDADLO c1nc(N2C[C@@H]3CCC[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000647871745 386107764 /nfs/dbraw/zinc/10/77/64/386107764.db2.gz LRSNSGGIMWAYEM-UWVGGRQHSA-N 1 2 246.314 1.517 20 0 BDADLO c1nc2c(c(N3C[C@@H]4CCC[C@H]4C3)[nH+]1)OCCN2 ZINC000647871745 386107767 /nfs/dbraw/zinc/10/77/67/386107767.db2.gz LRSNSGGIMWAYEM-UWVGGRQHSA-N 1 2 246.314 1.517 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000648000640 386110083 /nfs/dbraw/zinc/11/00/83/386110083.db2.gz WUTXIZOJVJIJPG-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1nccc1C[N@H+]1CCO[C@H](C)C1 ZINC000648000640 386110089 /nfs/dbraw/zinc/11/00/89/386110089.db2.gz WUTXIZOJVJIJPG-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000334461570 386118968 /nfs/dbraw/zinc/11/89/68/386118968.db2.gz WGIWIHWWXKQYJD-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO COC[C@H](C)[NH+]1CCN([C@H]2CCSC2)CC1 ZINC000366098221 386063643 /nfs/dbraw/zinc/06/36/43/386063643.db2.gz OEBKKTSIALMJEF-RYUDHWBXSA-N 1 2 244.404 1.144 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+]1Cc1noc(C)n1 ZINC000189640937 386065659 /nfs/dbraw/zinc/06/56/59/386065659.db2.gz GLZDVXFZOHCFEM-LLVKDONJSA-N 1 2 225.292 1.115 20 0 BDADLO CC[C@]1(CO)CCC[N@H+]1Cc1noc(C)n1 ZINC000189640937 386065666 /nfs/dbraw/zinc/06/56/66/386065666.db2.gz GLZDVXFZOHCFEM-LLVKDONJSA-N 1 2 225.292 1.115 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N2CC=CC2)c2[nH+]ccn21 ZINC000637197426 386071897 /nfs/dbraw/zinc/07/18/97/386071897.db2.gz IOFAZFPUWSEGHX-NXEZZACHSA-N 1 2 232.287 1.470 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425442811 386076818 /nfs/dbraw/zinc/07/68/18/386076818.db2.gz INAAQHJPGBKKGM-BQBZGAKWSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425442811 386076822 /nfs/dbraw/zinc/07/68/22/386076822.db2.gz INAAQHJPGBKKGM-BQBZGAKWSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334446499 386081763 /nfs/dbraw/zinc/08/17/63/386081763.db2.gz HCZZBJCEZGXAAZ-WCQYABFASA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000334446499 386081770 /nfs/dbraw/zinc/08/17/70/386081770.db2.gz HCZZBJCEZGXAAZ-WCQYABFASA-N 1 2 242.338 1.821 20 0 BDADLO Cc1nc(N[C@@H](C)Cc2ccsc2)nc(N)[nH+]1 ZINC000310087693 386082352 /nfs/dbraw/zinc/08/23/52/386082352.db2.gz BQGVDLXQEJIPBG-ZETCQYMHSA-N 1 2 249.343 1.867 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)Cc2ccsc2)[nH+]1 ZINC000310087693 386082359 /nfs/dbraw/zinc/08/23/59/386082359.db2.gz BQGVDLXQEJIPBG-ZETCQYMHSA-N 1 2 249.343 1.867 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3ccno3)CC2)c1 ZINC000274309279 386088890 /nfs/dbraw/zinc/08/88/90/386088890.db2.gz TVMYBIMFBRCWGB-UHFFFAOYSA-N 1 2 247.298 1.585 20 0 BDADLO CCOC[C@H]([NH2+][C@@H](CC)C(=O)OC)C(C)C ZINC000189807907 386090521 /nfs/dbraw/zinc/09/05/21/386090521.db2.gz KEJIKJJCZVSMDL-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ccnc2cccnc21 ZINC000338670307 386091128 /nfs/dbraw/zinc/09/11/28/386091128.db2.gz CKUMPCUNLAFCCU-UHFFFAOYSA-N 1 2 239.282 1.989 20 0 BDADLO C[NH+](C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287066723 386093977 /nfs/dbraw/zinc/09/39/77/386093977.db2.gz VBJCSWFEBRRSCQ-UHFFFAOYSA-N 1 2 246.669 1.685 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc[nH+]1 ZINC000644883942 386095887 /nfs/dbraw/zinc/09/58/87/386095887.db2.gz ZJXPIFHZLGMBIN-MMWGEVLESA-N 1 2 248.330 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]cn1 ZINC000644883942 386095891 /nfs/dbraw/zinc/09/58/91/386095891.db2.gz ZJXPIFHZLGMBIN-MMWGEVLESA-N 1 2 248.330 1.480 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425455755 386097160 /nfs/dbraw/zinc/09/71/60/386097160.db2.gz GYOHXTSYTAFOJC-LURJTMIESA-N 1 2 235.234 1.474 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425455755 386097164 /nfs/dbraw/zinc/09/71/64/386097164.db2.gz GYOHXTSYTAFOJC-LURJTMIESA-N 1 2 235.234 1.474 20 0 BDADLO Cn1cc[nH+]c1CSc1cccnn1 ZINC000335982103 386097633 /nfs/dbraw/zinc/09/76/33/386097633.db2.gz KOQXWPJDAWSHMB-UHFFFAOYSA-N 1 2 206.274 1.502 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@@H]1F ZINC000338825256 386147222 /nfs/dbraw/zinc/14/72/22/386147222.db2.gz VCZRVCNYVDSTLG-IUCAKERBSA-N 1 2 235.266 1.666 20 0 BDADLO CCC[C@@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000336729666 386147677 /nfs/dbraw/zinc/14/76/77/386147677.db2.gz HXOXEYOILQLKRJ-LLVKDONJSA-N 1 2 224.304 1.456 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnn(CCF)c1 ZINC000287784135 386147849 /nfs/dbraw/zinc/14/78/49/386147849.db2.gz YVNJVIYSCGOASF-UHFFFAOYSA-N 1 2 248.261 1.808 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C2CC2)C2COC2)n1 ZINC000296188876 386148463 /nfs/dbraw/zinc/14/84/63/386148463.db2.gz YHMOWONZEZPUAL-UHFFFAOYSA-N 1 2 234.299 1.459 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C2CC2)C2COC2)n1 ZINC000296188876 386148468 /nfs/dbraw/zinc/14/84/68/386148468.db2.gz YHMOWONZEZPUAL-UHFFFAOYSA-N 1 2 234.299 1.459 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccoc1C ZINC000414366388 386151231 /nfs/dbraw/zinc/15/12/31/386151231.db2.gz BOZOHIYPNIPHOH-NSHDSACASA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccoc1C ZINC000414366388 386151233 /nfs/dbraw/zinc/15/12/33/386151233.db2.gz BOZOHIYPNIPHOH-NSHDSACASA-N 1 2 223.272 1.725 20 0 BDADLO C[C@H](O)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000340262997 386153906 /nfs/dbraw/zinc/15/39/06/386153906.db2.gz XFCKWWFKVOCPAW-VIFPVBQESA-N 1 2 234.274 1.979 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCCCC[C@H]2O)c[nH+]1 ZINC000287957219 386156310 /nfs/dbraw/zinc/15/63/10/386156310.db2.gz DAFJESOICDTSGZ-MWLCHTKSSA-N 1 2 237.303 1.142 20 0 BDADLO CC[C@](C)(OC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335293760 386157899 /nfs/dbraw/zinc/15/78/99/386157899.db2.gz OEBWUDLZHZKLPS-LBPRGKRZSA-N 1 2 237.303 1.040 20 0 BDADLO Cc1ccncc1CNc1nc(C)[nH+]c(N)n1 ZINC000310233174 386167663 /nfs/dbraw/zinc/16/76/63/386167663.db2.gz KDLBRBMPZTWPGP-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1ccncc1CNc1nc(N)nc(C)[nH+]1 ZINC000310233174 386167667 /nfs/dbraw/zinc/16/76/67/386167667.db2.gz KDLBRBMPZTWPGP-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000346149936 386167657 /nfs/dbraw/zinc/16/76/57/386167657.db2.gz LGGLRZWFOAHWOZ-SCZZXKLOSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)C1CC1 ZINC000346149936 386167660 /nfs/dbraw/zinc/16/76/60/386167660.db2.gz LGGLRZWFOAHWOZ-SCZZXKLOSA-N 1 2 233.315 1.744 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOc2ccccc2)o1 ZINC000263740493 386172200 /nfs/dbraw/zinc/17/22/00/386172200.db2.gz GUYFWCOVLLVEDD-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOc2ccccc2)o1 ZINC000263740493 386172205 /nfs/dbraw/zinc/17/22/05/386172205.db2.gz GUYFWCOVLLVEDD-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO C[N@H+](Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000338926947 386179025 /nfs/dbraw/zinc/17/90/25/386179025.db2.gz FMSVTNWRVLAWSV-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO C[N@@H+](Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000338926947 386179028 /nfs/dbraw/zinc/17/90/28/386179028.db2.gz FMSVTNWRVLAWSV-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)N(C)C)nc1 ZINC000338917624 386180190 /nfs/dbraw/zinc/18/01/90/386180190.db2.gz KYXAQIQBUOAJHX-UHFFFAOYSA-N 1 2 235.331 1.164 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)N(C)C)nc1 ZINC000338917624 386180196 /nfs/dbraw/zinc/18/01/96/386180196.db2.gz KYXAQIQBUOAJHX-UHFFFAOYSA-N 1 2 235.331 1.164 20 0 BDADLO Cc1nc(C[N@@H+](C)C2(C(N)=O)CCCC2)co1 ZINC000647969459 386187651 /nfs/dbraw/zinc/18/76/51/386187651.db2.gz ZLHMAMXWUJGGJK-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1nc(C[N@H+](C)C2(C(N)=O)CCCC2)co1 ZINC000647969459 386187655 /nfs/dbraw/zinc/18/76/55/386187655.db2.gz ZLHMAMXWUJGGJK-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425471741 386133156 /nfs/dbraw/zinc/13/31/56/386133156.db2.gz HBDOCPYYXUDVSV-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425471741 386133161 /nfs/dbraw/zinc/13/31/61/386133161.db2.gz HBDOCPYYXUDVSV-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000274636797 386134274 /nfs/dbraw/zinc/13/42/74/386134274.db2.gz XTKJGDJZTSCMOR-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO CCn1cc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000334467905 386139153 /nfs/dbraw/zinc/13/91/53/386139153.db2.gz XGBIIRCCJIAYIM-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1cc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000334467905 386139155 /nfs/dbraw/zinc/13/91/55/386139155.db2.gz XGBIIRCCJIAYIM-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO Cc1cccc(C[N@H+]2CCOC[C@@H]2C)n1 ZINC000335143576 386140579 /nfs/dbraw/zinc/14/05/79/386140579.db2.gz ZHVKHHNQXHTMPA-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C)n1 ZINC000335143576 386140583 /nfs/dbraw/zinc/14/05/83/386140583.db2.gz ZHVKHHNQXHTMPA-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cncs2)n1 ZINC000124701086 386142592 /nfs/dbraw/zinc/14/25/92/386142592.db2.gz HDMSBCHBGWVBGM-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000287684413 386142940 /nfs/dbraw/zinc/14/29/40/386142940.db2.gz IGKAURPRJVMJIL-WDEREUQCSA-N 1 2 249.314 1.122 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCSC2)c[nH+]1 ZINC000288462742 386203311 /nfs/dbraw/zinc/20/33/11/386203311.db2.gz UGELETWJUXNBJU-VIFPVBQESA-N 1 2 239.344 1.591 20 0 BDADLO COCC1(C[N@@H+]2CC(F)(F)C[C@@H]2CO)CCC1 ZINC000643378125 386207940 /nfs/dbraw/zinc/20/79/40/386207940.db2.gz PTJMQIQKDVTFTM-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO COCC1(C[N@H+]2CC(F)(F)C[C@@H]2CO)CCC1 ZINC000643378125 386207942 /nfs/dbraw/zinc/20/79/42/386207942.db2.gz PTJMQIQKDVTFTM-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nc(N[C@@H]2CC3CCC2CC3)nc(N)[nH+]1 ZINC000310583466 386210684 /nfs/dbraw/zinc/21/06/84/386210684.db2.gz SNVXSZCYZRKVSD-UDNWOFFPSA-N 1 2 233.319 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC3CCC2CC3)[nH+]1 ZINC000310583466 386210687 /nfs/dbraw/zinc/21/06/87/386210687.db2.gz SNVXSZCYZRKVSD-UDNWOFFPSA-N 1 2 233.319 1.753 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[C@H]1C ZINC000296990995 386218589 /nfs/dbraw/zinc/21/85/89/386218589.db2.gz GDCOOHYMDGOHLX-GMTAPVOTSA-N 1 2 236.319 1.321 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264208246 386218761 /nfs/dbraw/zinc/21/87/61/386218761.db2.gz RNXOCYVQJXGEKL-YPMHNXCESA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264208246 386218769 /nfs/dbraw/zinc/21/87/69/386218769.db2.gz RNXOCYVQJXGEKL-YPMHNXCESA-N 1 2 249.285 1.931 20 0 BDADLO CCc1ccccc1CNc1nc(C)[nH+]c(N)n1 ZINC000310677229 386222374 /nfs/dbraw/zinc/22/23/74/386222374.db2.gz KMLWTWDCZCGJJB-UHFFFAOYSA-N 1 2 243.314 1.937 20 0 BDADLO CCc1ccccc1CNc1nc(N)nc(C)[nH+]1 ZINC000310677229 386222378 /nfs/dbraw/zinc/22/23/78/386222378.db2.gz KMLWTWDCZCGJJB-UHFFFAOYSA-N 1 2 243.314 1.937 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@H]2C)nc[nH+]1 ZINC000264318639 386226778 /nfs/dbraw/zinc/22/67/78/386226778.db2.gz JIJYXHFTPLFKHL-ZJUUUORDSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@H]2C)[nH+]cn1 ZINC000264318639 386226784 /nfs/dbraw/zinc/22/67/84/386226784.db2.gz JIJYXHFTPLFKHL-ZJUUUORDSA-N 1 2 236.319 1.258 20 0 BDADLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C(C)C ZINC000275750078 386235821 /nfs/dbraw/zinc/23/58/21/386235821.db2.gz SIHITFIPDXUORM-GFCCVEGCSA-N 1 2 239.290 1.908 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(O)CCCC1 ZINC000264474686 386239014 /nfs/dbraw/zinc/23/90/14/386239014.db2.gz WASBYUVDGMVJQD-UHFFFAOYSA-N 1 2 220.272 1.634 20 0 BDADLO Cn1cncc1C[N@H+](C)CCC(F)(F)F ZINC000336642524 386245699 /nfs/dbraw/zinc/24/56/99/386245699.db2.gz ACHQBXVVAWKYKY-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO Cn1cncc1C[N@@H+](C)CCC(F)(F)F ZINC000336642524 386245702 /nfs/dbraw/zinc/24/57/02/386245702.db2.gz ACHQBXVVAWKYKY-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO CN(CCC(F)(F)F)Cc1c[nH+]cn1C ZINC000336642524 386245705 /nfs/dbraw/zinc/24/57/05/386245705.db2.gz ACHQBXVVAWKYKY-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO CC[C@@H](NC(=O)CCOC)c1[nH]cc[nH+]1 ZINC000125334453 386246542 /nfs/dbraw/zinc/24/65/42/386246542.db2.gz OUUYVIHIJQNVPC-MRVPVSSYSA-N 1 2 211.265 1.014 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)OC)c1[nH]cc[nH+]1 ZINC000125325304 386247900 /nfs/dbraw/zinc/24/79/00/386247900.db2.gz NAZGWJMAYNRYCR-SFYZADRCSA-N 1 2 211.265 1.012 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000336643334 386248747 /nfs/dbraw/zinc/24/87/47/386248747.db2.gz CCEIFDSGLPWJIF-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000336643334 386248751 /nfs/dbraw/zinc/24/87/51/386248751.db2.gz CCEIFDSGLPWJIF-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO CO[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)CC(C)C ZINC000416262336 386249129 /nfs/dbraw/zinc/24/91/29/386249129.db2.gz OHQHLJSYMKJFSJ-SNVBAGLBSA-N 1 2 239.319 1.509 20 0 BDADLO CC[C@@H](NC(=O)CSC)c1[nH]cc[nH+]1 ZINC000125341772 386250183 /nfs/dbraw/zinc/25/01/83/386250183.db2.gz VHIPBVXCMRHRMP-SSDOTTSWSA-N 1 2 213.306 1.340 20 0 BDADLO Cc1ccccc1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000310721798 386252877 /nfs/dbraw/zinc/25/28/77/386252877.db2.gz ISRHRQMOVFEWMJ-UHFFFAOYSA-N 1 2 243.314 1.707 20 0 BDADLO Cc1ccccc1CN(C)c1nc(N)nc(C)[nH+]1 ZINC000310721798 386252881 /nfs/dbraw/zinc/25/28/81/386252881.db2.gz ISRHRQMOVFEWMJ-UHFFFAOYSA-N 1 2 243.314 1.707 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H]1CCCO1 ZINC000339000691 386198315 /nfs/dbraw/zinc/19/83/15/386198315.db2.gz CRHUFTTVSQZDMB-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H]1CCCO1 ZINC000339000691 386198319 /nfs/dbraw/zinc/19/83/19/386198319.db2.gz CRHUFTTVSQZDMB-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cnn(C)n1 ZINC000289335587 386284041 /nfs/dbraw/zinc/28/40/41/386284041.db2.gz IIMMOVQLCXJWPN-CYBMUJFWSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cnn(C)n1 ZINC000289335587 386284047 /nfs/dbraw/zinc/28/40/47/386284047.db2.gz IIMMOVQLCXJWPN-CYBMUJFWSA-N 1 2 245.330 1.793 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@@H](C)CO ZINC000297907770 386286596 /nfs/dbraw/zinc/28/65/96/386286596.db2.gz YBEMEWNEXHTPGW-JTQLQIEISA-N 1 2 237.303 1.625 20 0 BDADLO Cc1[nH+]c(-c2ccncc2)nc(NCCO)c1C ZINC000264969228 386288366 /nfs/dbraw/zinc/28/83/66/386288366.db2.gz OXTOVBDTISJTBT-UHFFFAOYSA-N 1 2 244.298 1.560 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(F)cn1 ZINC000276231325 386291069 /nfs/dbraw/zinc/29/10/69/386291069.db2.gz NCSZJGHITIVHCR-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(F)cn1 ZINC000276231325 386291071 /nfs/dbraw/zinc/29/10/71/386291071.db2.gz NCSZJGHITIVHCR-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO Cn1ccc(-c2noc(CCn3cc[nH+]c3)n2)c1 ZINC000289390376 386295220 /nfs/dbraw/zinc/29/52/20/386295220.db2.gz LZGBDZDFEAAYLM-UHFFFAOYSA-N 1 2 243.270 1.514 20 0 BDADLO COCc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)no1 ZINC000298070798 386295541 /nfs/dbraw/zinc/29/55/41/386295541.db2.gz KYOVJLXOTGTKKO-PHIMTYICSA-N 1 2 240.303 1.430 20 0 BDADLO COCc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)no1 ZINC000298070798 386295548 /nfs/dbraw/zinc/29/55/48/386295548.db2.gz KYOVJLXOTGTKKO-PHIMTYICSA-N 1 2 240.303 1.430 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000414399445 386297740 /nfs/dbraw/zinc/29/77/40/386297740.db2.gz SRHNMFWUZOTGHO-ZXLZKYRFSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000414399445 386297743 /nfs/dbraw/zinc/29/77/43/386297743.db2.gz SRHNMFWUZOTGHO-ZXLZKYRFSA-N 1 2 241.356 1.929 20 0 BDADLO CCOC[C@@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000081522086 386301869 /nfs/dbraw/zinc/30/18/69/386301869.db2.gz NZMUNZPYVOKSLD-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO CCOC[C@@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000081522086 386301874 /nfs/dbraw/zinc/30/18/74/386301874.db2.gz NZMUNZPYVOKSLD-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ncccc1N(C)C ZINC000289419147 386302201 /nfs/dbraw/zinc/30/22/01/386302201.db2.gz BDKVBMOJTDVHIL-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ncccc1N(C)C ZINC000289419147 386302203 /nfs/dbraw/zinc/30/22/03/386302203.db2.gz BDKVBMOJTDVHIL-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Cc1occc1[S@](=O)Cc1c[nH+]cn1C ZINC000276379935 386314780 /nfs/dbraw/zinc/31/47/80/386314780.db2.gz LEWQZOMQHJFQDF-OAHLLOKOSA-N 1 2 224.285 1.629 20 0 BDADLO C[N@@H+](Cc1cnns1)C[C@H]1CCCO1 ZINC000336681725 386317714 /nfs/dbraw/zinc/31/77/14/386317714.db2.gz HNIZEGYRQILVAH-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[N@H+](Cc1cnns1)C[C@H]1CCCO1 ZINC000336681725 386317718 /nfs/dbraw/zinc/31/77/18/386317718.db2.gz HNIZEGYRQILVAH-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCOC(C)C)C1 ZINC000425520727 386321404 /nfs/dbraw/zinc/32/14/04/386321404.db2.gz RMSPHDUMNILYTJ-UHFFFAOYSA-N 1 2 228.336 1.313 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCOC(C)C)C1 ZINC000425520727 386321411 /nfs/dbraw/zinc/32/14/11/386321411.db2.gz RMSPHDUMNILYTJ-UHFFFAOYSA-N 1 2 228.336 1.313 20 0 BDADLO CC[N@H+](CCO)Cc1csc(COC)n1 ZINC000336653341 386270343 /nfs/dbraw/zinc/27/03/43/386270343.db2.gz YDSYHJMGGZIDGH-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO CC[N@@H+](CCO)Cc1csc(COC)n1 ZINC000336653341 386270345 /nfs/dbraw/zinc/27/03/45/386270345.db2.gz YDSYHJMGGZIDGH-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)c1 ZINC000298422037 386340229 /nfs/dbraw/zinc/34/02/29/386340229.db2.gz XSRCYRSRGJYTIB-LLVKDONJSA-N 1 2 246.318 1.065 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)c1 ZINC000298422037 386340237 /nfs/dbraw/zinc/34/02/37/386340237.db2.gz XSRCYRSRGJYTIB-LLVKDONJSA-N 1 2 246.318 1.065 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000289683375 386340657 /nfs/dbraw/zinc/34/06/57/386340657.db2.gz MUVYDUJVVRVBSE-ZDUSSCGKSA-N 1 2 249.314 1.010 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000289683375 386340663 /nfs/dbraw/zinc/34/06/63/386340663.db2.gz MUVYDUJVVRVBSE-ZDUSSCGKSA-N 1 2 249.314 1.010 20 0 BDADLO CCC[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000276537713 386341644 /nfs/dbraw/zinc/34/16/44/386341644.db2.gz IOTMYVJEFPWXEV-NSHDSACASA-N 1 2 237.347 2.000 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(C(=O)OC)co1 ZINC000339288751 386343408 /nfs/dbraw/zinc/34/34/08/386343408.db2.gz DTYHVMOVFQFTOB-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(C(=O)OC)co1 ZINC000339288751 386343414 /nfs/dbraw/zinc/34/34/14/386343414.db2.gz DTYHVMOVFQFTOB-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO CCN(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000276574929 386345603 /nfs/dbraw/zinc/34/56/03/386345603.db2.gz KXAOASAWXALESV-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc2cccnc2s1 ZINC000339291473 386345702 /nfs/dbraw/zinc/34/57/02/386345702.db2.gz CQTWPZFYZJHJAE-SECBINFHSA-N 1 2 249.339 1.912 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc2cccnc2s1 ZINC000339291473 386345708 /nfs/dbraw/zinc/34/57/08/386345708.db2.gz CQTWPZFYZJHJAE-SECBINFHSA-N 1 2 249.339 1.912 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000339281079 386349444 /nfs/dbraw/zinc/34/94/44/386349444.db2.gz HWXNRUJVKKJYMA-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000339281079 386349450 /nfs/dbraw/zinc/34/94/50/386349450.db2.gz HWXNRUJVKKJYMA-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000298483820 386351929 /nfs/dbraw/zinc/35/19/29/386351929.db2.gz VMBBWOMYSFQEPJ-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000298483820 386351940 /nfs/dbraw/zinc/35/19/40/386351940.db2.gz VMBBWOMYSFQEPJ-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO C[C@@]1(NCc2cccc3[nH+]ccn32)CCOC1=O ZINC000289775037 386355184 /nfs/dbraw/zinc/35/51/84/386355184.db2.gz KCLXSEFYGZYGIQ-CYBMUJFWSA-N 1 2 245.282 1.130 20 0 BDADLO C[C@]1(NCc2cccc3[nH+]ccn32)CCOC1=O ZINC000289775039 386356097 /nfs/dbraw/zinc/35/60/97/386356097.db2.gz KCLXSEFYGZYGIQ-ZDUSSCGKSA-N 1 2 245.282 1.130 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC(c2ccncn2)CC1 ZINC000298532040 386357320 /nfs/dbraw/zinc/35/73/20/386357320.db2.gz WMBPVDDBUFHWPI-SNVBAGLBSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000276629444 386357753 /nfs/dbraw/zinc/35/77/53/386357753.db2.gz SKCSQDYGAQTSFF-QRGHLMKCSA-N 1 2 221.304 1.974 20 0 BDADLO C[C@H](N(C)C(=O)CCc1c[nH+]cn1C)C1(C)CC1 ZINC000276670399 386363383 /nfs/dbraw/zinc/36/33/83/386363383.db2.gz ZDRNZFVMQNANMQ-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCC(C)(C)C ZINC000265719836 386363591 /nfs/dbraw/zinc/36/35/91/386363591.db2.gz YRBSKXSQVFCRPA-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO CCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265762774 386366822 /nfs/dbraw/zinc/36/68/22/386366822.db2.gz MHUPQFGRSBCLTN-JTQLQIEISA-N 1 2 209.293 1.436 20 0 BDADLO COC[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000265769634 386368111 /nfs/dbraw/zinc/36/81/11/386368111.db2.gz CPNKBXJESBHRRA-JTQLQIEISA-N 1 2 233.315 1.827 20 0 BDADLO Cn1ncc2ccc(C[NH2+]Cc3ccn[nH]3)cc21 ZINC000643336832 386369603 /nfs/dbraw/zinc/36/96/03/386369603.db2.gz UZHIYYRSFJCFJE-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO C[C@]1([NH2+]Cc2cccc3[nH]ccc32)CCOC1=O ZINC000289907541 386371277 /nfs/dbraw/zinc/37/12/77/386371277.db2.gz UNGVQULBDAEUGN-AWEZNQCLSA-N 1 2 244.294 1.963 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000336696880 386377435 /nfs/dbraw/zinc/37/74/35/386377435.db2.gz HMIJYOFFRLWOKL-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000336696880 386377440 /nfs/dbraw/zinc/37/74/40/386377440.db2.gz HMIJYOFFRLWOKL-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO C[C@H](CNC(=O)C[C@H]1C=CCC1)Cn1cc[nH+]c1 ZINC000265866585 386380733 /nfs/dbraw/zinc/38/07/33/386380733.db2.gz XXAWLIGDCZUUHR-OLZOCXBDSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1[nH]c(C(=O)NCC(F)(F)C(F)F)c[nH+]1 ZINC000276851113 386383666 /nfs/dbraw/zinc/38/36/66/386383666.db2.gz ORRGHOXDCAIBTF-UHFFFAOYSA-N 1 2 239.172 1.348 20 0 BDADLO COC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OC ZINC000336775415 386384501 /nfs/dbraw/zinc/38/45/01/386384501.db2.gz YYNGSRIAVMBOLL-GHMZBOCLSA-N 1 2 227.304 1.120 20 0 BDADLO Cc1cnc(C[N@H+](C)CCn2cccn2)nc1 ZINC000336676795 386327058 /nfs/dbraw/zinc/32/70/58/386327058.db2.gz AQAAOTGBIGSFIL-UHFFFAOYSA-N 1 2 231.303 1.114 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCn2cccn2)nc1 ZINC000336676795 386327062 /nfs/dbraw/zinc/32/70/62/386327062.db2.gz AQAAOTGBIGSFIL-UHFFFAOYSA-N 1 2 231.303 1.114 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnn(C)n2)cc1 ZINC000289554896 386327402 /nfs/dbraw/zinc/32/74/02/386327402.db2.gz DREJCVKXLNCKBV-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnn(C)n2)cc1 ZINC000289554896 386327404 /nfs/dbraw/zinc/32/74/04/386327404.db2.gz DREJCVKXLNCKBV-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO c1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000645396709 386331184 /nfs/dbraw/zinc/33/11/84/386331184.db2.gz WBSCTBUKGBOMJR-LPEHRKFASA-N 1 2 246.314 1.881 20 0 BDADLO c1nc2c(c(N[C@@H]3CC[C@H]4C[C@H]4C3)[nH+]1)OCCN2 ZINC000645396709 386331191 /nfs/dbraw/zinc/33/11/91/386331191.db2.gz WBSCTBUKGBOMJR-LPEHRKFASA-N 1 2 246.314 1.881 20 0 BDADLO Cc1cnc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)o1 ZINC000276874919 386385888 /nfs/dbraw/zinc/38/58/88/386385888.db2.gz DBQIUIBZRZOKFV-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1cnc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)o1 ZINC000276874919 386385891 /nfs/dbraw/zinc/38/58/91/386385891.db2.gz DBQIUIBZRZOKFV-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]cn1 ZINC000336774375 386337874 /nfs/dbraw/zinc/33/78/74/386337874.db2.gz WTTQGYRQKSOTRD-GHMZBOCLSA-N 1 2 221.304 1.434 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C)cn1 ZINC000353155978 386338843 /nfs/dbraw/zinc/33/88/43/386338843.db2.gz QBTBXGSVIYVEHL-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000353155978 386338850 /nfs/dbraw/zinc/33/88/50/386338850.db2.gz QBTBXGSVIYVEHL-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000339467311 386442508 /nfs/dbraw/zinc/44/25/08/386442508.db2.gz FIAKNNHOPNPRMP-NSHDSACASA-N 1 2 244.298 1.378 20 0 BDADLO Cc1cn2cc(NC(=O)N(C)CCO)ccc2[nH+]1 ZINC000265981306 386389125 /nfs/dbraw/zinc/38/91/25/386389125.db2.gz ZJFUGXDYZJCWNZ-UHFFFAOYSA-N 1 2 248.286 1.099 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000266008519 386389774 /nfs/dbraw/zinc/38/97/74/386389774.db2.gz MWNNDHPGTIWMTA-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCN(C)c2ccccc2C1 ZINC000266008519 386389777 /nfs/dbraw/zinc/38/97/77/386389777.db2.gz MWNNDHPGTIWMTA-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000347355094 386391747 /nfs/dbraw/zinc/39/17/47/386391747.db2.gz QDLLEMXJYRAURX-GFCCVEGCSA-N 1 2 239.294 1.679 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000336705400 386396190 /nfs/dbraw/zinc/39/61/90/386396190.db2.gz QFQDDHHQWWWQJC-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000336705400 386396198 /nfs/dbraw/zinc/39/61/98/386396198.db2.gz QFQDDHHQWWWQJC-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276981156 386396685 /nfs/dbraw/zinc/39/66/85/386396685.db2.gz FKAOMWGCHWMHBH-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276981156 386396692 /nfs/dbraw/zinc/39/66/92/386396692.db2.gz FKAOMWGCHWMHBH-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2nccn2C)c1 ZINC000336701006 386401084 /nfs/dbraw/zinc/40/10/84/386401084.db2.gz KUKVIHTWUANURN-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2nccn2C)c1 ZINC000336701006 386401089 /nfs/dbraw/zinc/40/10/89/386401089.db2.gz KUKVIHTWUANURN-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@H]1C1CC1 ZINC000347450770 386409316 /nfs/dbraw/zinc/40/93/16/386409316.db2.gz JUTNATZJVCPICH-WOPDTQHZSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC1(C)C ZINC000299083219 386409688 /nfs/dbraw/zinc/40/96/88/386409688.db2.gz RJVGMZANEUWXSI-NXEZZACHSA-N 1 2 236.319 1.369 20 0 BDADLO c1c[nH+]c(COCCOCC2CCC2)[nH]1 ZINC000416901064 386411710 /nfs/dbraw/zinc/41/17/10/386411710.db2.gz BFPWYPDGLFUFCB-UHFFFAOYSA-N 1 2 210.277 1.743 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000290318030 386418848 /nfs/dbraw/zinc/41/88/48/386418848.db2.gz BGJHKRRGKIRFHZ-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000290318030 386418855 /nfs/dbraw/zinc/41/88/55/386418855.db2.gz BGJHKRRGKIRFHZ-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO Cc1cc(NC(=O)N2CCCCCO2)cc[nH+]1 ZINC000647991853 386420800 /nfs/dbraw/zinc/42/08/00/386420800.db2.gz VFLWLUADLJERSW-UHFFFAOYSA-N 1 2 235.287 1.761 20 0 BDADLO Cn1nncc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000290333708 386422008 /nfs/dbraw/zinc/42/20/08/386422008.db2.gz DXDLFBVDOUBHQQ-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cn1nncc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000290333708 386422019 /nfs/dbraw/zinc/42/20/19/386422019.db2.gz DXDLFBVDOUBHQQ-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCc1ccoc1 ZINC000339430690 386424168 /nfs/dbraw/zinc/42/41/68/386424168.db2.gz JIBIPJJKZZVKIK-UHFFFAOYSA-N 1 2 247.298 1.604 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)o1 ZINC000277301631 386424213 /nfs/dbraw/zinc/42/42/13/386424213.db2.gz AWOQTMDNXXLAMI-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)o1 ZINC000277301631 386424217 /nfs/dbraw/zinc/42/42/17/386424217.db2.gz AWOQTMDNXXLAMI-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000290379227 386425865 /nfs/dbraw/zinc/42/58/65/386425865.db2.gz IHZRYHZPNQBLSH-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC2(CCC2)C1 ZINC000290379227 386425870 /nfs/dbraw/zinc/42/58/70/386425870.db2.gz IHZRYHZPNQBLSH-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299235504 386429928 /nfs/dbraw/zinc/42/99/28/386429928.db2.gz SENGZJRYOAZXFF-MDZLAQPJSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299235504 386429934 /nfs/dbraw/zinc/42/99/34/386429934.db2.gz SENGZJRYOAZXFF-MDZLAQPJSA-N 1 2 248.326 1.322 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000290430655 386432069 /nfs/dbraw/zinc/43/20/69/386432069.db2.gz MZVXBBMTDPEDRR-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000290430655 386432071 /nfs/dbraw/zinc/43/20/71/386432071.db2.gz MZVXBBMTDPEDRR-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(CC3CC3)no2)C1 ZINC000417267406 386466131 /nfs/dbraw/zinc/46/61/31/386466131.db2.gz HGYOWPFHUPBWQM-JTQLQIEISA-N 1 2 237.303 1.415 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(CC3CC3)no2)C1 ZINC000417267406 386466135 /nfs/dbraw/zinc/46/61/35/386466135.db2.gz HGYOWPFHUPBWQM-JTQLQIEISA-N 1 2 237.303 1.415 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000290680681 386468678 /nfs/dbraw/zinc/46/86/78/386468678.db2.gz LXXPAAJJPQBLMP-SNVBAGLBSA-N 1 2 248.334 1.223 20 0 BDADLO CCOc1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC000639254405 386470501 /nfs/dbraw/zinc/47/05/01/386470501.db2.gz RZZOWUVJPGFMOB-UHFFFAOYSA-N 1 2 221.300 1.652 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC2CCC1CC2 ZINC000366411025 386471004 /nfs/dbraw/zinc/47/10/04/386471004.db2.gz CZMRCKMODSKHAJ-UHFFFAOYSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC2CCC1CC2 ZINC000366411025 386471009 /nfs/dbraw/zinc/47/10/09/386471009.db2.gz CZMRCKMODSKHAJ-UHFFFAOYSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C1CC1 ZINC000299621733 386472738 /nfs/dbraw/zinc/47/27/38/386472738.db2.gz MRNQNGZUCMCXDT-SECBINFHSA-N 1 2 222.292 1.075 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000299622351 386472874 /nfs/dbraw/zinc/47/28/74/386472874.db2.gz QOKZCNHCFXTMJI-NSHDSACASA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1CCC[C@H](O)C1 ZINC000299622351 386472878 /nfs/dbraw/zinc/47/28/78/386472878.db2.gz QOKZCNHCFXTMJI-NSHDSACASA-N 1 2 223.320 1.421 20 0 BDADLO CCC[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000299628142 386475217 /nfs/dbraw/zinc/47/52/17/386475217.db2.gz GDBOIJUXGKWAKF-NSHDSACASA-N 1 2 223.320 1.920 20 0 BDADLO Cc1nc(N2C[C@H](O)CC[C@H]2C)cc[nH+]1 ZINC000399274849 386475936 /nfs/dbraw/zinc/47/59/36/386475936.db2.gz VNTXEUGOCLVTBO-PSASIEDQSA-N 1 2 207.277 1.135 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCSCC1 ZINC000299667766 386479372 /nfs/dbraw/zinc/47/93/72/386479372.db2.gz OPMZVJFYYIHDNW-UHFFFAOYSA-N 1 2 239.344 1.239 20 0 BDADLO CC(C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290933784 386488658 /nfs/dbraw/zinc/48/86/58/386488658.db2.gz NAMPWNGRWBZQEG-UHFFFAOYSA-N 1 2 207.277 1.271 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000267189248 386506199 /nfs/dbraw/zinc/50/61/99/386506199.db2.gz BKDVHZOCKJAQKG-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO COc1ncncc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000648043357 386506996 /nfs/dbraw/zinc/50/69/96/386506996.db2.gz UJMFYDQDGKBMCT-UWVGGRQHSA-N 1 2 237.328 1.175 20 0 BDADLO COc1ncncc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000648043357 386507005 /nfs/dbraw/zinc/50/70/05/386507005.db2.gz UJMFYDQDGKBMCT-UWVGGRQHSA-N 1 2 237.328 1.175 20 0 BDADLO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2csnn2)C1 ZINC000647971524 386507437 /nfs/dbraw/zinc/50/74/37/386507437.db2.gz MOGSFNSZYRTJSX-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2csnn2)C1 ZINC000647971524 386507441 /nfs/dbraw/zinc/50/74/41/386507441.db2.gz MOGSFNSZYRTJSX-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C)c2)co1 ZINC000647971671 386508575 /nfs/dbraw/zinc/50/85/75/386508575.db2.gz RPEXJKCISZEUTK-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C)c2)co1 ZINC000647971670 386509733 /nfs/dbraw/zinc/50/97/33/386509733.db2.gz RPEXJKCISZEUTK-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@H](O)c1cccc(F)c1 ZINC000267202239 386509988 /nfs/dbraw/zinc/50/99/88/386509988.db2.gz OTCXHHHBZILVSA-ZANVPECISA-N 1 2 249.289 1.761 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000519644179 386511459 /nfs/dbraw/zinc/51/14/59/386511459.db2.gz CAKBBYFRZNGRCF-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO CC(C)(C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343232822 386514911 /nfs/dbraw/zinc/51/49/11/386514911.db2.gz OHKNALLJVPLOBF-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CN(C)c1ccc(CNC(=O)C2(C)CCC2)c[nH+]1 ZINC000267334905 386530064 /nfs/dbraw/zinc/53/00/64/386530064.db2.gz GKQHLJSCQIGJTF-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000291186370 386521608 /nfs/dbraw/zinc/52/16/08/386521608.db2.gz OTPCUNBHXSRQKY-NEPJUHHUSA-N 1 2 228.299 1.793 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000291186370 386521612 /nfs/dbraw/zinc/52/16/12/386521612.db2.gz OTPCUNBHXSRQKY-NEPJUHHUSA-N 1 2 228.299 1.793 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000335450447 386522802 /nfs/dbraw/zinc/52/28/02/386522802.db2.gz YPQNIGIXRVLOLJ-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000335450447 386522806 /nfs/dbraw/zinc/52/28/06/386522806.db2.gz YPQNIGIXRVLOLJ-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO FC(F)CN1CCC[N@H+](Cc2cocn2)CC1 ZINC000290565189 386453474 /nfs/dbraw/zinc/45/34/74/386453474.db2.gz SNPFQJGQOIYBCB-UHFFFAOYSA-N 1 2 245.273 1.447 20 0 BDADLO FC(F)CN1CCC[N@@H+](Cc2cocn2)CC1 ZINC000290565189 386453486 /nfs/dbraw/zinc/45/34/86/386453486.db2.gz SNPFQJGQOIYBCB-UHFFFAOYSA-N 1 2 245.273 1.447 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000299468896 386454980 /nfs/dbraw/zinc/45/49/80/386454980.db2.gz GGJBMFYKMYLFLR-QMMMGPOBSA-N 1 2 224.260 1.454 20 0 BDADLO CCO[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000299468895 386456461 /nfs/dbraw/zinc/45/64/61/386456461.db2.gz GGJBMFYKMYLFLR-MRVPVSSYSA-N 1 2 224.260 1.454 20 0 BDADLO CO[C@H](CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000292683282 386459341 /nfs/dbraw/zinc/45/93/41/386459341.db2.gz DSXOEEKUMNQLDP-SSDOTTSWSA-N 1 2 242.710 1.549 20 0 BDADLO CO[C@H](CNc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000292683282 386459342 /nfs/dbraw/zinc/45/93/42/386459342.db2.gz DSXOEEKUMNQLDP-SSDOTTSWSA-N 1 2 242.710 1.549 20 0 BDADLO Cc1nc(Cc2noc(C[NH+](C)C)n2)cs1 ZINC000277709281 386462546 /nfs/dbraw/zinc/46/25/46/386462546.db2.gz WMKQWFNVMYCBSU-UHFFFAOYSA-N 1 2 238.316 1.487 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](C2CC2)C1 ZINC000366405541 386465479 /nfs/dbraw/zinc/46/54/79/386465479.db2.gz YRJUYMUHGTXPKU-LLVKDONJSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000366405541 386465480 /nfs/dbraw/zinc/46/54/80/386465480.db2.gz YRJUYMUHGTXPKU-LLVKDONJSA-N 1 2 233.315 1.601 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2cc[nH]n2)o1 ZINC000291720045 386574160 /nfs/dbraw/zinc/57/41/60/386574160.db2.gz MMBQLCABPUDPLY-UHFFFAOYSA-N 1 2 234.303 1.948 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@]1(C)C[C@H]1F ZINC000424844557 386598291 /nfs/dbraw/zinc/59/82/91/386598291.db2.gz KFORECPNHHWJDX-ZYHUDNBSSA-N 1 2 238.262 1.455 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccco1 ZINC000187710664 386584554 /nfs/dbraw/zinc/58/45/54/386584554.db2.gz MKVUQCMZBWCLNV-MRVPVSSYSA-N 1 2 234.255 1.822 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1cccc(F)c1 ZINC000337052490 386586301 /nfs/dbraw/zinc/58/63/01/386586301.db2.gz OBAQAVAVSFXHFA-UHFFFAOYSA-N 1 2 247.273 1.729 20 0 BDADLO Cn1c[nH+]cc1Cn1nc(C(C)(C)C)ccc1=O ZINC000267822289 386589708 /nfs/dbraw/zinc/58/97/08/386589708.db2.gz XQOAMYAEPHANID-UHFFFAOYSA-N 1 2 246.314 1.323 20 0 BDADLO COC1(C[NH2+]Cc2ccn[nH]2)CCCCC1 ZINC000187450552 386590279 /nfs/dbraw/zinc/59/02/79/386590279.db2.gz DFUKCHZUOWPIHH-UHFFFAOYSA-N 1 2 223.320 1.849 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1C ZINC000267872249 386592105 /nfs/dbraw/zinc/59/21/05/386592105.db2.gz KPJLFSJJFHIZKM-UHFFFAOYSA-N 1 2 246.314 1.603 20 0 BDADLO CC(C)[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000329034540 386595479 /nfs/dbraw/zinc/59/54/79/386595479.db2.gz YEYMOSOOCQMGIY-JTQLQIEISA-N 1 2 237.303 1.729 20 0 BDADLO CC(C)[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000329034540 386595487 /nfs/dbraw/zinc/59/54/87/386595487.db2.gz YEYMOSOOCQMGIY-JTQLQIEISA-N 1 2 237.303 1.729 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000291307662 386533025 /nfs/dbraw/zinc/53/30/25/386533025.db2.gz RHWYPCFETQXBFK-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(=O)OC ZINC000336755294 386535587 /nfs/dbraw/zinc/53/55/87/386535587.db2.gz GGRLHLJAGLCHCM-GUBZILKMSA-N 1 2 229.320 1.199 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)C[C@@H](C)O ZINC000291369533 386535887 /nfs/dbraw/zinc/53/58/87/386535887.db2.gz ZSTCMPMMXMQIGS-PSASIEDQSA-N 1 2 243.328 1.275 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)C[C@@H](C)O ZINC000291369533 386535890 /nfs/dbraw/zinc/53/58/90/386535890.db2.gz ZSTCMPMMXMQIGS-PSASIEDQSA-N 1 2 243.328 1.275 20 0 BDADLO Cc1[nH]ccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000267397151 386537818 /nfs/dbraw/zinc/53/78/18/386537818.db2.gz NQIYRCUPUXTPBP-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO C[C@H](C[S@](C)=O)N(C)c1cccc[nH+]1 ZINC000278857178 386596951 /nfs/dbraw/zinc/59/69/51/386596951.db2.gz XZIUWIGUGUKYPQ-OTYXRUKQSA-N 1 2 212.318 1.285 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CSC2(C)C)c[nH+]1 ZINC000278563730 386549965 /nfs/dbraw/zinc/54/99/65/386549965.db2.gz HSTBHHVNRUPIEW-MRVPVSSYSA-N 1 2 225.317 1.342 20 0 BDADLO Cc1ocnc1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000278616288 386554457 /nfs/dbraw/zinc/55/44/57/386554457.db2.gz MEQLVVMZPREBQD-SECBINFHSA-N 1 2 248.286 1.833 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000291516380 386555441 /nfs/dbraw/zinc/55/54/41/386555441.db2.gz ISNSFZVAPPBMBF-NSHDSACASA-N 1 2 227.283 1.015 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000291516380 386555444 /nfs/dbraw/zinc/55/54/44/386555444.db2.gz ISNSFZVAPPBMBF-NSHDSACASA-N 1 2 227.283 1.015 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291590241 386558433 /nfs/dbraw/zinc/55/84/33/386558433.db2.gz PWJRJMLFLZZUDM-ZYHUDNBSSA-N 1 2 248.330 1.597 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1(CO)CCC1 ZINC000183961918 386560406 /nfs/dbraw/zinc/56/04/06/386560406.db2.gz DEKGJKDTBXLWSA-UHFFFAOYSA-N 1 2 249.314 1.674 20 0 BDADLO COC(=O)c1occc1C[N@H+]1CC[C@H](OC)C1 ZINC000267658961 386567819 /nfs/dbraw/zinc/56/78/19/386567819.db2.gz MHAQBFCSLLONJX-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1CC[C@H](OC)C1 ZINC000267658961 386567823 /nfs/dbraw/zinc/56/78/23/386567823.db2.gz MHAQBFCSLLONJX-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000291694100 386571902 /nfs/dbraw/zinc/57/19/02/386571902.db2.gz YJNXGMNPEZNKGW-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000291694100 386571910 /nfs/dbraw/zinc/57/19/10/386571910.db2.gz YJNXGMNPEZNKGW-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2[nH]ncc2C)CCO1 ZINC000291694100 386571914 /nfs/dbraw/zinc/57/19/14/386571914.db2.gz YJNXGMNPEZNKGW-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2[nH]ncc2C)CCO1 ZINC000291694100 386571923 /nfs/dbraw/zinc/57/19/23/386571923.db2.gz YJNXGMNPEZNKGW-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000291720147 386573083 /nfs/dbraw/zinc/57/30/83/386573083.db2.gz QVMRVTSAVQEVHI-QMHDWFDUSA-N 1 2 245.282 1.145 20 0 BDADLO c1c[nH+]c(CN2CCO[C@]3(CCSC3)C2)[nH]1 ZINC000335410688 386573230 /nfs/dbraw/zinc/57/32/30/386573230.db2.gz ROXZPYJTKPHQHR-LLVKDONJSA-N 1 2 239.344 1.118 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000291726268 386573628 /nfs/dbraw/zinc/57/36/28/386573628.db2.gz JJHJVMCXLFELSD-NSHDSACASA-N 1 2 217.276 1.053 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000291726268 386573634 /nfs/dbraw/zinc/57/36/34/386573634.db2.gz JJHJVMCXLFELSD-NSHDSACASA-N 1 2 217.276 1.053 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CCC(F)F ZINC000644920832 386621999 /nfs/dbraw/zinc/62/19/99/386621999.db2.gz XLCMDCVPZZZLRU-UHFFFAOYSA-N 1 2 244.241 1.752 20 0 BDADLO CO[C@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000644930928 386629284 /nfs/dbraw/zinc/62/92/84/386629284.db2.gz ATNUWXUJSHMEQK-NXEZZACHSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000644930928 386629288 /nfs/dbraw/zinc/62/92/88/386629288.db2.gz ATNUWXUJSHMEQK-NXEZZACHSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000644931269 386629684 /nfs/dbraw/zinc/62/96/84/386629684.db2.gz KHGMYVNSPJGOFY-ZJUUUORDSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000644931269 386629697 /nfs/dbraw/zinc/62/96/97/386629697.db2.gz KHGMYVNSPJGOFY-ZJUUUORDSA-N 1 2 235.274 1.113 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000190746463 386630452 /nfs/dbraw/zinc/63/04/52/386630452.db2.gz WORDYGYBYOVGDM-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)c2ccon2)n1C ZINC000336782169 386630604 /nfs/dbraw/zinc/63/06/04/386630604.db2.gz WWHDBWIGOILJGK-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000328845722 386631325 /nfs/dbraw/zinc/63/13/25/386631325.db2.gz VJUHMCZGVHBWCP-GHMZBOCLSA-N 1 2 246.314 1.336 20 0 BDADLO Cc1ccnc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)n1 ZINC000328845722 386631328 /nfs/dbraw/zinc/63/13/28/386631328.db2.gz VJUHMCZGVHBWCP-GHMZBOCLSA-N 1 2 246.314 1.336 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC(C1CC1)C1CC1 ZINC000279166984 386643893 /nfs/dbraw/zinc/64/38/93/386643893.db2.gz IQXUQMYJTFZAOS-UHFFFAOYSA-N 1 2 233.315 1.647 20 0 BDADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(N)=O)s1 ZINC000106876465 386654260 /nfs/dbraw/zinc/65/42/60/386654260.db2.gz YKBCSUPRAKUZGY-ZETCQYMHSA-N 1 2 227.333 1.238 20 0 BDADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(N)=O)s1 ZINC000106876465 386654263 /nfs/dbraw/zinc/65/42/63/386654263.db2.gz YKBCSUPRAKUZGY-ZETCQYMHSA-N 1 2 227.333 1.238 20 0 BDADLO COC(=O)C[N@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000278876606 386599887 /nfs/dbraw/zinc/59/98/87/386599887.db2.gz NPTPEWVHFDKELE-NSHDSACASA-N 1 2 225.288 1.317 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000278876606 386599892 /nfs/dbraw/zinc/59/98/92/386599892.db2.gz NPTPEWVHFDKELE-NSHDSACASA-N 1 2 225.288 1.317 20 0 BDADLO CC[C@H]1C[C@@H](CNCC(F)(F)C[NH3+])CCO1 ZINC000414922798 386604114 /nfs/dbraw/zinc/60/41/14/386604114.db2.gz DFDGFUJWKOQFSB-UWVGGRQHSA-N 1 2 236.306 1.375 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000335518573 386654921 /nfs/dbraw/zinc/65/49/21/386654921.db2.gz FSUBLSYCBABNRS-VHSXEESVSA-N 1 2 239.294 1.658 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000335518573 386654925 /nfs/dbraw/zinc/65/49/25/386654925.db2.gz FSUBLSYCBABNRS-VHSXEESVSA-N 1 2 239.294 1.658 20 0 BDADLO COC1CC(N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000343246172 386608205 /nfs/dbraw/zinc/60/82/05/386608205.db2.gz DCJYOFDBYYRWIX-UHFFFAOYSA-N 1 2 233.315 1.968 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]1C1CC1 ZINC000335491206 386608789 /nfs/dbraw/zinc/60/87/89/386608789.db2.gz LWTVLQXBDUMAPI-DGCLKSJQSA-N 1 2 245.326 1.456 20 0 BDADLO Cc1nc(C(=O)N2CCn3c[nH+]cc3C2)c(C)o1 ZINC000329158717 386617699 /nfs/dbraw/zinc/61/76/99/386617699.db2.gz XDBUFROTAJRIIJ-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCOC1 ZINC000644999600 386663246 /nfs/dbraw/zinc/66/32/46/386663246.db2.gz VWQMYFBOOQPVGY-SNVBAGLBSA-N 1 2 246.270 1.245 20 0 BDADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000335522602 386663478 /nfs/dbraw/zinc/66/34/78/386663478.db2.gz ZEFQRABNYSYVPH-SNVBAGLBSA-N 1 2 235.331 1.702 20 0 BDADLO CC1(C[N@@H+]2CC(F)(F)C[C@H]2CO)CCC1 ZINC000645002141 386663842 /nfs/dbraw/zinc/66/38/42/386663842.db2.gz CIGDMXALJNWQCU-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO CC1(C[N@H+]2CC(F)(F)C[C@H]2CO)CCC1 ZINC000645002141 386663844 /nfs/dbraw/zinc/66/38/44/386663844.db2.gz CIGDMXALJNWQCU-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO O=S1(=O)CCC[C@@H](COc2cc[nH+]cc2)C1 ZINC000292408618 386663885 /nfs/dbraw/zinc/66/38/85/386663885.db2.gz JDQQBWXPHIQOCZ-JTQLQIEISA-N 1 2 241.312 1.285 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C)nn1C ZINC000417755370 386668928 /nfs/dbraw/zinc/66/89/28/386668928.db2.gz LAXVMJVEUZXJMG-UHFFFAOYSA-N 1 2 247.346 1.484 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C)nn1C ZINC000417755370 386668933 /nfs/dbraw/zinc/66/89/33/386668933.db2.gz LAXVMJVEUZXJMG-UHFFFAOYSA-N 1 2 247.346 1.484 20 0 BDADLO CC1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000335525723 386669126 /nfs/dbraw/zinc/66/91/26/386669126.db2.gz RICFBXWZURDFBN-JTQLQIEISA-N 1 2 239.344 1.401 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)Cc1ccon1 ZINC000335529762 386677329 /nfs/dbraw/zinc/67/73/29/386677329.db2.gz SLOSIQQGADCOHL-UHFFFAOYSA-N 1 2 231.255 1.868 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC1(C)C ZINC000279413344 386680881 /nfs/dbraw/zinc/68/08/81/386680881.db2.gz KOWXNNIKZPSFIX-UHFFFAOYSA-N 1 2 221.304 1.662 20 0 BDADLO Cc1c(C(=O)Nc2c(C)cc[nH+]c2C)nnn1C ZINC000425585342 386657038 /nfs/dbraw/zinc/65/70/38/386657038.db2.gz HNVBXFLVBSMYDA-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000644994803 386658447 /nfs/dbraw/zinc/65/84/47/386658447.db2.gz QWPVVQSBRNIJMU-IUCAKERBSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000644994803 386658451 /nfs/dbraw/zinc/65/84/51/386658451.db2.gz QWPVVQSBRNIJMU-IUCAKERBSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CO1 ZINC000335481995 386709250 /nfs/dbraw/zinc/70/92/50/386709250.db2.gz UDCOPIABQBPMKF-MWLCHTKSSA-N 1 2 245.282 1.242 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)C(=O)OC ZINC000192854477 386684974 /nfs/dbraw/zinc/68/49/74/386684974.db2.gz FJLXPUMZPUWMDI-NXEZZACHSA-N 1 2 231.336 1.589 20 0 BDADLO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000450764140 386685154 /nfs/dbraw/zinc/68/51/54/386685154.db2.gz PZNMTQAXARSJCQ-WDEREUQCSA-N 1 2 240.376 1.959 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C2CCC2)no1 ZINC000357019065 386687357 /nfs/dbraw/zinc/68/73/57/386687357.db2.gz BIRHENNYTFJZFH-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C2CCC2)no1 ZINC000357019065 386687361 /nfs/dbraw/zinc/68/73/61/386687361.db2.gz BIRHENNYTFJZFH-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO CC(C)c1nc(N2CC[C@@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000302013969 386692951 /nfs/dbraw/zinc/69/29/51/386692951.db2.gz DRYOETTXBNSBLE-GHMZBOCLSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)C[C@@H](C)C[N@@H+]1CCOC[C@H]1C(N)=O ZINC000330392561 386712161 /nfs/dbraw/zinc/71/21/61/386712161.db2.gz PWUPXIVGLKNGFA-MNOVXSKESA-N 1 2 228.336 1.905 20 0 BDADLO Cc1nc(C[NH+]2CCC(CC(N)=O)CC2)co1 ZINC000647959009 386704268 /nfs/dbraw/zinc/70/42/68/386704268.db2.gz RTCFKAGCOQJHFM-UHFFFAOYSA-N 1 2 237.303 1.070 20 0 BDADLO CC(C)C[C@@H](C)C[N@H+]1CCOC[C@H]1C(N)=O ZINC000330392561 386712170 /nfs/dbraw/zinc/71/21/70/386712170.db2.gz PWUPXIVGLKNGFA-MNOVXSKESA-N 1 2 228.336 1.905 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000527032143 386734809 /nfs/dbraw/zinc/73/48/09/386734809.db2.gz MIEUPYRIRZUSDA-QWRGUYRKSA-N 1 2 235.331 1.515 20 0 BDADLO O=C(C1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357126691 386724201 /nfs/dbraw/zinc/72/42/01/386724201.db2.gz KMMULSAYLCZZMF-VIFPVBQESA-N 1 2 205.261 1.483 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000279727704 386726432 /nfs/dbraw/zinc/72/64/32/386726432.db2.gz CHBGYUMCPXHARZ-WPRPVWTQSA-N 1 2 249.314 1.340 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000336760391 386728756 /nfs/dbraw/zinc/72/87/56/386728756.db2.gz JQCTVZNBASXCLH-SBMIAAHKSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@H](O)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292899810 386745935 /nfs/dbraw/zinc/74/59/35/386745935.db2.gz AGAPXCVBVOSRRD-NSHDSACASA-N 1 2 243.310 1.569 20 0 BDADLO C[C@H](O)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292899810 386745938 /nfs/dbraw/zinc/74/59/38/386745938.db2.gz AGAPXCVBVOSRRD-NSHDSACASA-N 1 2 243.310 1.569 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C=C1CCC1 ZINC000269078817 386748730 /nfs/dbraw/zinc/74/87/30/386748730.db2.gz HRXKDKZPMYUAGF-UHFFFAOYSA-N 1 2 233.315 1.842 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000292933494 386750285 /nfs/dbraw/zinc/75/02/85/386750285.db2.gz HFEIPJGGNIWVMI-VGMNWLOBSA-N 1 2 239.344 1.810 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000292933494 386750294 /nfs/dbraw/zinc/75/02/94/386750294.db2.gz HFEIPJGGNIWVMI-VGMNWLOBSA-N 1 2 239.344 1.810 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)Cc1cccs1 ZINC000248240061 386750995 /nfs/dbraw/zinc/75/09/95/386750995.db2.gz GOCQMDMXUWJTMF-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)Cc1cccs1 ZINC000248240061 386751001 /nfs/dbraw/zinc/75/10/01/386751001.db2.gz GOCQMDMXUWJTMF-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO CCc1nc(N2CC[C@H]2COC)cc(C)[nH+]1 ZINC000292952379 386753995 /nfs/dbraw/zinc/75/39/95/386753995.db2.gz FWZWIPNDTXOZDF-JTQLQIEISA-N 1 2 221.304 1.573 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051043767 386760475 /nfs/dbraw/zinc/76/04/75/386760475.db2.gz ISQLAFNJHHNSPD-VIFPVBQESA-N 1 2 246.270 1.477 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)ncn1 ZINC000293005251 386765693 /nfs/dbraw/zinc/76/56/93/386765693.db2.gz ZLTCGASOHUKYQT-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)ncn1 ZINC000293005251 386765697 /nfs/dbraw/zinc/76/56/97/386765697.db2.gz ZLTCGASOHUKYQT-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO CCC[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000330555109 386767359 /nfs/dbraw/zinc/76/73/59/386767359.db2.gz OXCMPAOKJOOOAS-QMMMGPOBSA-N 1 2 208.261 1.584 20 0 BDADLO CC[C@](C)(OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280001427 386767470 /nfs/dbraw/zinc/76/74/70/386767470.db2.gz HTVKVAMASZDRAM-JQWIXIFHSA-N 1 2 239.319 1.203 20 0 BDADLO C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCOC1=O ZINC000248006056 386742184 /nfs/dbraw/zinc/74/21/84/386742184.db2.gz AQGLDNAFMZONNM-JTQLQIEISA-N 1 2 249.266 1.163 20 0 BDADLO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCOC1=O ZINC000248006056 386742186 /nfs/dbraw/zinc/74/21/86/386742186.db2.gz AQGLDNAFMZONNM-JTQLQIEISA-N 1 2 249.266 1.163 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2c[nH]cn2)C[C@@H]1C ZINC000280248236 386793792 /nfs/dbraw/zinc/79/37/92/386793792.db2.gz OFNYZTHQEPSLFA-ONGXEEELSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2c[nH]cn2)C[C@@H]1C ZINC000280248236 386793799 /nfs/dbraw/zinc/79/37/99/386793799.db2.gz OFNYZTHQEPSLFA-ONGXEEELSA-N 1 2 237.303 1.041 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC(C)C ZINC000340875012 386795191 /nfs/dbraw/zinc/79/51/91/386795191.db2.gz IZEONZCFXFXVPL-GFCCVEGCSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC(C)C ZINC000340875012 386795194 /nfs/dbraw/zinc/79/51/94/386795194.db2.gz IZEONZCFXFXVPL-GFCCVEGCSA-N 1 2 228.336 1.012 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]1F ZINC000340778089 386773021 /nfs/dbraw/zinc/77/30/21/386773021.db2.gz JEOWPTDQLQIXJH-NXEZZACHSA-N 1 2 225.267 1.280 20 0 BDADLO CCC[C@H]([NH2+][C@H](CC)COC)C(=O)OC ZINC000336761660 386796298 /nfs/dbraw/zinc/79/62/98/386796298.db2.gz MXUNJDNKJXDFJR-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc([S@@](C)=O)c1 ZINC000269305223 386775729 /nfs/dbraw/zinc/77/57/29/386775729.db2.gz FTZLKVIKCPNRJW-QGZVFWFLSA-N 1 2 249.339 1.770 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1nnc(C)o1 ZINC000330524410 386775773 /nfs/dbraw/zinc/77/57/73/386775773.db2.gz JYHNVRLTKSLJCU-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1nnc(C)o1 ZINC000330524410 386775781 /nfs/dbraw/zinc/77/57/81/386775781.db2.gz JYHNVRLTKSLJCU-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CN(C)c1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000269312910 386777413 /nfs/dbraw/zinc/77/74/13/386777413.db2.gz WGPQJFWMQBEEII-UHFFFAOYSA-N 1 2 243.270 1.374 20 0 BDADLO CC(C)n1nccc1CN(C)Cc1[nH+]ccn1C ZINC000280140596 386785634 /nfs/dbraw/zinc/78/56/34/386785634.db2.gz DQZPWSDVNRBTSK-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO Cc1n[nH]c(C(=O)NCC[N@H+]2CC=CCC2)c1C ZINC000280360085 386808698 /nfs/dbraw/zinc/80/86/98/386808698.db2.gz TWOPMNBPJUGAJH-UHFFFAOYSA-N 1 2 248.330 1.018 20 0 BDADLO Cc1n[nH]c(C(=O)NCC[N@@H+]2CC=CCC2)c1C ZINC000280360085 386808703 /nfs/dbraw/zinc/80/87/03/386808703.db2.gz TWOPMNBPJUGAJH-UHFFFAOYSA-N 1 2 248.330 1.018 20 0 BDADLO Cc1nc(C2([NH2+]C[C@@H](C)O)CCCC2)no1 ZINC000192993434 386809038 /nfs/dbraw/zinc/80/90/38/386809038.db2.gz XQSZILZRNOMDMN-MRVPVSSYSA-N 1 2 225.292 1.118 20 0 BDADLO COC(=O)c1occc1C[NH2+]CCF ZINC000336673366 386831462 /nfs/dbraw/zinc/83/14/62/386831462.db2.gz AWAPAGWDPALBST-UHFFFAOYSA-N 1 2 201.197 1.125 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)NC(C)(C)C)c2[nH+]ccn21 ZINC000334781771 386838289 /nfs/dbraw/zinc/83/82/89/386838289.db2.gz FWZZNBAJRUMZLW-BDAKNGLRSA-N 1 2 236.319 1.987 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn2ccccc2n1 ZINC000293582404 386842554 /nfs/dbraw/zinc/84/25/54/386842554.db2.gz NTLROPZDTFNQHE-GFCCVEGCSA-N 1 2 231.299 1.555 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn2ccccc2n1 ZINC000293582404 386842561 /nfs/dbraw/zinc/84/25/61/386842561.db2.gz NTLROPZDTFNQHE-GFCCVEGCSA-N 1 2 231.299 1.555 20 0 BDADLO Cn1nnc(C[NH2+][C@H]2CCc3ccc(F)cc32)n1 ZINC000330261613 386843857 /nfs/dbraw/zinc/84/38/57/386843857.db2.gz PGNHNEXJJKKDLA-NSHDSACASA-N 1 2 247.277 1.126 20 0 BDADLO C[C@H]1OCC[N@H+](CCn2cc(Cl)cn2)[C@@H]1C ZINC000334785782 386845921 /nfs/dbraw/zinc/84/59/21/386845921.db2.gz AMWJJJPURRDSTE-NXEZZACHSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@H]1OCC[N@@H+](CCn2cc(Cl)cn2)[C@@H]1C ZINC000334785782 386845926 /nfs/dbraw/zinc/84/59/26/386845926.db2.gz AMWJJJPURRDSTE-NXEZZACHSA-N 1 2 243.738 1.646 20 0 BDADLO CCOC(=O)[C@H](C)[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000398596261 386848632 /nfs/dbraw/zinc/84/86/32/386848632.db2.gz BYYAKJSLQNCHLM-QJPTWQEYSA-N 1 2 243.347 1.827 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000357825686 386849727 /nfs/dbraw/zinc/84/97/27/386849727.db2.gz DSOLTEADLUBHNC-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000357825686 386849733 /nfs/dbraw/zinc/84/97/33/386849733.db2.gz DSOLTEADLUBHNC-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccncc1 ZINC000608377811 386857690 /nfs/dbraw/zinc/85/76/90/386857690.db2.gz CVTWRDKTVVPJFZ-SECBINFHSA-N 1 2 244.302 1.254 20 0 BDADLO CS[C@H]1CC[C@@H]1[NH2+]CC(F)(F)CO ZINC000425346845 386857891 /nfs/dbraw/zinc/85/78/91/386857891.db2.gz WYVDJQPAHFRDLD-BQBZGAKWSA-N 1 2 211.277 1.098 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000418005971 386861504 /nfs/dbraw/zinc/86/15/04/386861504.db2.gz BIHGWPAQAVRUTQ-QJPTWQEYSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000418005971 386861510 /nfs/dbraw/zinc/86/15/10/386861510.db2.gz BIHGWPAQAVRUTQ-QJPTWQEYSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000418005971 386861516 /nfs/dbraw/zinc/86/15/16/386861516.db2.gz BIHGWPAQAVRUTQ-QJPTWQEYSA-N 1 2 237.347 1.901 20 0 BDADLO CS[C@H]1CC[C@H]1[NH2+]CC(F)(F)CO ZINC000425346863 386861758 /nfs/dbraw/zinc/86/17/58/386861758.db2.gz WYVDJQPAHFRDLD-RQJHMYQMSA-N 1 2 211.277 1.098 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(C)[nH]1 ZINC000335746506 386868728 /nfs/dbraw/zinc/86/87/28/386868728.db2.gz FUVWXSYTJGTXFZ-CYBMUJFWSA-N 1 2 248.326 1.271 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c(C)[nH]1 ZINC000335746506 386868732 /nfs/dbraw/zinc/86/87/32/386868732.db2.gz FUVWXSYTJGTXFZ-CYBMUJFWSA-N 1 2 248.326 1.271 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334832619 386870874 /nfs/dbraw/zinc/87/08/74/386870874.db2.gz RGSSOGTYKRXKIQ-GHMZBOCLSA-N 1 2 247.342 1.608 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cnn(C)c2)n1 ZINC000341269585 386872295 /nfs/dbraw/zinc/87/22/95/386872295.db2.gz LUIYBQSZZLMHIV-UHFFFAOYSA-N 1 2 235.291 1.136 20 0 BDADLO CCCCNc1cc(N[C@@H](C)CC)nc(N)[nH+]1 ZINC000341267827 386872464 /nfs/dbraw/zinc/87/24/64/386872464.db2.gz JZKQIKVFFCEBLO-VIFPVBQESA-N 1 2 237.351 1.733 20 0 BDADLO CCCCNc1cc(N[C@@H](C)CC)[nH+]c(N)n1 ZINC000341267827 386872474 /nfs/dbraw/zinc/87/24/74/386872474.db2.gz JZKQIKVFFCEBLO-VIFPVBQESA-N 1 2 237.351 1.733 20 0 BDADLO CC(C)n1ccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000358118377 386894599 /nfs/dbraw/zinc/89/45/99/386894599.db2.gz ICNNFUYRCINCDD-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO Oc1ccc2c(c1)CN(Cc1[nH]cc[nH+]1)CC2 ZINC000334834687 386874420 /nfs/dbraw/zinc/87/44/20/386874420.db2.gz WYBZWIPIZBKIIE-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Cn1cc(C[NH+]2CC(c3ccccc3F)C2)nn1 ZINC000335751402 386876353 /nfs/dbraw/zinc/87/63/53/386876353.db2.gz UNORRVVTIOSMAH-UHFFFAOYSA-N 1 2 246.289 1.554 20 0 BDADLO CCN1CCC[N@H+](Cc2cccc(C)n2)CC1=O ZINC000335750619 386876625 /nfs/dbraw/zinc/87/66/25/386876625.db2.gz OZPDQMXJLRZLPS-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCN1CCC[N@@H+](Cc2cccc(C)n2)CC1=O ZINC000335750619 386876629 /nfs/dbraw/zinc/87/66/29/386876629.db2.gz OZPDQMXJLRZLPS-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CC[C@H](C)C2 ZINC000334835087 386876849 /nfs/dbraw/zinc/87/68/49/386876849.db2.gz CZRKJOQCULIFMV-JOYOIKCWSA-N 1 2 210.321 1.733 20 0 BDADLO CC(C)(C(=O)NCC1CC1)c1c[nH]c[nH+]1 ZINC000331647153 386879600 /nfs/dbraw/zinc/87/96/00/386879600.db2.gz KHUKERGSXZICEU-UHFFFAOYSA-N 1 2 207.277 1.214 20 0 BDADLO COC[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301816960 386879675 /nfs/dbraw/zinc/87/96/75/386879675.db2.gz HPVRIBRJGWTDNB-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO COC[C@@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301816960 386879681 /nfs/dbraw/zinc/87/96/81/386879681.db2.gz HPVRIBRJGWTDNB-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000301880749 386886699 /nfs/dbraw/zinc/88/66/99/386886699.db2.gz ZSEWCLBBNLBYJR-MNOVXSKESA-N 1 2 221.304 1.382 20 0 BDADLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331744516 386890401 /nfs/dbraw/zinc/89/04/01/386890401.db2.gz BZPAXVSWIDBXNK-SKDRFNHKSA-N 1 2 239.319 1.671 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](CO)C(C)(C)C)no1 ZINC000330854351 386914029 /nfs/dbraw/zinc/91/40/29/386914029.db2.gz YKOYQBFNWLHYMQ-VIFPVBQESA-N 1 2 241.335 1.690 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCOCC12CC2 ZINC000335770092 386915435 /nfs/dbraw/zinc/91/54/35/386915435.db2.gz YQMCVHRUSVYOIJ-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCOCC12CC2 ZINC000335770092 386915439 /nfs/dbraw/zinc/91/54/39/386915439.db2.gz YQMCVHRUSVYOIJ-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000367906583 386919188 /nfs/dbraw/zinc/91/91/88/386919188.db2.gz JLXMSCZPKDSHQC-GHMZBOCLSA-N 1 2 248.330 1.504 20 0 BDADLO Cc1nc(N[C@H](C)c2nc[nH]n2)c(C)c(C)[nH+]1 ZINC000302014057 386897411 /nfs/dbraw/zinc/89/74/11/386897411.db2.gz BKKHHLYHFBKCFC-MRVPVSSYSA-N 1 2 232.291 1.693 20 0 BDADLO Cc1nc(N[C@H](C)c2nnc[nH]2)c(C)c(C)[nH+]1 ZINC000302014057 386897414 /nfs/dbraw/zinc/89/74/14/386897414.db2.gz BKKHHLYHFBKCFC-MRVPVSSYSA-N 1 2 232.291 1.693 20 0 BDADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC(C)(C)C1 ZINC000331776174 386899148 /nfs/dbraw/zinc/89/91/48/386899148.db2.gz MRQQMKXRDWMJEG-UHFFFAOYSA-N 1 2 224.308 1.521 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC(C)(C)C1 ZINC000331776174 386899156 /nfs/dbraw/zinc/89/91/56/386899156.db2.gz MRQQMKXRDWMJEG-UHFFFAOYSA-N 1 2 224.308 1.521 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H]1CF ZINC000293918778 386903907 /nfs/dbraw/zinc/90/39/07/386903907.db2.gz AVMLQWUJSAURIZ-LLVKDONJSA-N 1 2 247.273 1.908 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1CF ZINC000293939615 386907330 /nfs/dbraw/zinc/90/73/30/386907330.db2.gz COILZIVKTINNQC-VIFPVBQESA-N 1 2 225.267 1.221 20 0 BDADLO CSCCCN(C)c1cc[nH+]c(C)n1 ZINC000341414934 386909875 /nfs/dbraw/zinc/90/98/75/386909875.db2.gz XMMRFGJEXXIGRY-UHFFFAOYSA-N 1 2 211.334 1.974 20 0 BDADLO CC(C)c1nc(NCCc2ccnn2C)cc[nH+]1 ZINC000302178733 386910390 /nfs/dbraw/zinc/91/03/90/386910390.db2.gz XKMHATFJTZXXOX-UHFFFAOYSA-N 1 2 245.330 1.988 20 0 BDADLO Cc1occc1C[NH+]1CCN(C2CC2)CC1 ZINC000334857808 386910681 /nfs/dbraw/zinc/91/06/81/386910681.db2.gz ZOGJDXSKLHSJKJ-UHFFFAOYSA-N 1 2 220.316 1.868 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C2CCC2)[nH]1 ZINC000331808251 386910721 /nfs/dbraw/zinc/91/07/21/386910721.db2.gz UEXIZAUBTBUQSR-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C2CCC2)[nH]1 ZINC000331808251 386910723 /nfs/dbraw/zinc/91/07/23/386910723.db2.gz UEXIZAUBTBUQSR-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1 ZINC000335767771 386912452 /nfs/dbraw/zinc/91/24/52/386912452.db2.gz PBGZICPUIGQVRW-JTQLQIEISA-N 1 2 242.282 1.092 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1 ZINC000335767771 386912454 /nfs/dbraw/zinc/91/24/54/386912454.db2.gz PBGZICPUIGQVRW-JTQLQIEISA-N 1 2 242.282 1.092 20 0 BDADLO c1snnc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000367959729 386920426 /nfs/dbraw/zinc/92/04/26/386920426.db2.gz WAWSTYMMBRTVSL-PSASIEDQSA-N 1 2 209.318 1.913 20 0 BDADLO c1snnc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000367959729 386920430 /nfs/dbraw/zinc/92/04/30/386920430.db2.gz WAWSTYMMBRTVSL-PSASIEDQSA-N 1 2 209.318 1.913 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000418014593 386925575 /nfs/dbraw/zinc/92/55/75/386925575.db2.gz UZRFJFOOGBTJNB-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334868213 386926845 /nfs/dbraw/zinc/92/68/45/386926845.db2.gz LRZLKXMVSVPJAN-ZJUUUORDSA-N 1 2 249.314 1.583 20 0 BDADLO Cc1ccc(CCC(=O)Nc2cc[nH+]cc2O)o1 ZINC000358332925 386933921 /nfs/dbraw/zinc/93/39/21/386933921.db2.gz FEDXYCOTNZZNQT-UHFFFAOYSA-N 1 2 246.266 1.682 20 0 BDADLO CC(C)c1nc(N(CCO)C(C)C)cc[nH+]1 ZINC000302827593 386938108 /nfs/dbraw/zinc/93/81/08/386938108.db2.gz NPHMCTPHMZHTTH-UHFFFAOYSA-N 1 2 223.320 1.807 20 0 BDADLO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCNC1=O ZINC000334877545 386939292 /nfs/dbraw/zinc/93/92/92/386939292.db2.gz CYVQUMIFFNQZBF-NSHDSACASA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCNC1=O ZINC000334877545 386939297 /nfs/dbraw/zinc/93/92/97/386939297.db2.gz CYVQUMIFFNQZBF-NSHDSACASA-N 1 2 240.253 1.285 20 0 BDADLO CC[C@H](COC)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330983280 386940918 /nfs/dbraw/zinc/94/09/18/386940918.db2.gz KDSKJYFLHNIDCO-SECBINFHSA-N 1 2 239.319 1.229 20 0 BDADLO Cn1cnnc1C[N@H+](C)CCOCC1CCC1 ZINC000341680224 386941575 /nfs/dbraw/zinc/94/15/75/386941575.db2.gz FLQAIPRGVMOCSQ-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CCOCC1CCC1 ZINC000341680224 386941579 /nfs/dbraw/zinc/94/15/79/386941579.db2.gz FLQAIPRGVMOCSQ-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCOCC1CCC1 ZINC000341680008 386943088 /nfs/dbraw/zinc/94/30/88/386943088.db2.gz WWOFHAMRCJLTIU-UHFFFAOYSA-N 1 2 237.347 1.669 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCOCC1CCC1 ZINC000341680008 386943096 /nfs/dbraw/zinc/94/30/96/386943096.db2.gz WWOFHAMRCJLTIU-UHFFFAOYSA-N 1 2 237.347 1.669 20 0 BDADLO Cc1ccc(CC[N@@H+](C)Cc2nnnn2C)cc1 ZINC000341627650 386944336 /nfs/dbraw/zinc/94/43/36/386944336.db2.gz ZIQRCYVNSAQMBI-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1ccc(CC[N@H+](C)Cc2nnnn2C)cc1 ZINC000341627650 386944340 /nfs/dbraw/zinc/94/43/40/386944340.db2.gz ZIQRCYVNSAQMBI-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)C1CCC1)C1CC1 ZINC000341716705 386954644 /nfs/dbraw/zinc/95/46/44/386954644.db2.gz WQXBCXPVSARGLL-LLVKDONJSA-N 1 2 233.315 1.788 20 0 BDADLO CS[C@@H](C)CCC(=O)NCc1[nH]c[nH+]c1C ZINC000358436573 386956023 /nfs/dbraw/zinc/95/60/23/386956023.db2.gz ITMQYKBEEAMAMW-QMMMGPOBSA-N 1 2 241.360 1.866 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368334479 386961331 /nfs/dbraw/zinc/96/13/31/386961331.db2.gz HNFZHJZDCSPSEB-OLZOCXBDSA-N 1 2 203.285 1.968 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368334479 386961333 /nfs/dbraw/zinc/96/13/33/386961333.db2.gz HNFZHJZDCSPSEB-OLZOCXBDSA-N 1 2 203.285 1.968 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](C2CC2)C1 ZINC000334890123 386963695 /nfs/dbraw/zinc/96/36/95/386963695.db2.gz OTYNKIXZOWWTHU-LLVKDONJSA-N 1 2 248.330 1.362 20 0 BDADLO Cc1nnc(C[NH+]2CCC([C@H](C)O)CC2)s1 ZINC000358494255 386967189 /nfs/dbraw/zinc/96/71/89/386967189.db2.gz FBFBTXRSYLGLAZ-QMMMGPOBSA-N 1 2 241.360 1.439 20 0 BDADLO CCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000368425991 386972195 /nfs/dbraw/zinc/97/21/95/386972195.db2.gz UEJMJTGXXKJKFX-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000368425991 386972197 /nfs/dbraw/zinc/97/21/97/386972197.db2.gz UEJMJTGXXKJKFX-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC[C@H](C)O)[nH]1 ZINC000331163408 386979405 /nfs/dbraw/zinc/97/94/05/386979405.db2.gz MOMMBEGXXYODCY-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC[C@H](C)O)[nH]1 ZINC000331163408 386979411 /nfs/dbraw/zinc/97/94/11/386979411.db2.gz MOMMBEGXXYODCY-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)COCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000368513527 386980889 /nfs/dbraw/zinc/98/08/89/386980889.db2.gz FPGGMXKOHWIURA-CYBMUJFWSA-N 1 2 243.347 1.150 20 0 BDADLO CC(C)COCC[N@H+]1CCOC[C@]12CCOC2 ZINC000368513527 386980894 /nfs/dbraw/zinc/98/08/94/386980894.db2.gz FPGGMXKOHWIURA-CYBMUJFWSA-N 1 2 243.347 1.150 20 0 BDADLO Cc1sccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000352976594 386981503 /nfs/dbraw/zinc/98/15/03/386981503.db2.gz KYVNEKIVRKKWGK-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1sccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000352976594 386981507 /nfs/dbraw/zinc/98/15/07/386981507.db2.gz KYVNEKIVRKKWGK-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO CCN1CC[N@H+](Cc2cccnc2C)[C@H](C)C1=O ZINC000334914490 386987647 /nfs/dbraw/zinc/98/76/47/386987647.db2.gz PTEBUVNLSKDWNA-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cccnc2C)[C@H](C)C1=O ZINC000334914490 386987650 /nfs/dbraw/zinc/98/76/50/386987650.db2.gz PTEBUVNLSKDWNA-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000332642767 386995712 /nfs/dbraw/zinc/99/57/12/386995712.db2.gz KRPNHXVOYHGXMX-VIFPVBQESA-N 1 2 238.335 1.323 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000332642767 386995717 /nfs/dbraw/zinc/99/57/17/386995717.db2.gz KRPNHXVOYHGXMX-VIFPVBQESA-N 1 2 238.335 1.323 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368636624 386996085 /nfs/dbraw/zinc/99/60/85/386996085.db2.gz IKVMZUWFERUKAD-OLZOCXBDSA-N 1 2 247.294 1.446 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368636624 386996094 /nfs/dbraw/zinc/99/60/94/386996094.db2.gz IKVMZUWFERUKAD-OLZOCXBDSA-N 1 2 247.294 1.446 20 0 BDADLO Cc1ccc(NC(=O)[C@H](CO)C(C)C)c(C)[nH+]1 ZINC000331285598 386996247 /nfs/dbraw/zinc/99/62/47/386996247.db2.gz XVIAZPRKKXBEQR-LLVKDONJSA-N 1 2 236.315 1.901 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000368674807 387001820 /nfs/dbraw/zinc/00/18/20/387001820.db2.gz DHGZJAYWJQOVDY-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000368674807 387001822 /nfs/dbraw/zinc/00/18/22/387001822.db2.gz DHGZJAYWJQOVDY-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO CC(F)(F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368677468 387002432 /nfs/dbraw/zinc/00/24/32/387002432.db2.gz ZEIWSFUDYYADDK-ZCFIWIBFSA-N 1 2 229.230 1.038 20 0 BDADLO CC(F)(F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368677468 387002437 /nfs/dbraw/zinc/00/24/37/387002437.db2.gz ZEIWSFUDYYADDK-ZCFIWIBFSA-N 1 2 229.230 1.038 20 0 BDADLO C[C@H](C[C@H](C)O)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000341645712 386949126 /nfs/dbraw/zinc/94/91/26/386949126.db2.gz XLDSAMTVCKROQE-ZJUUUORDSA-N 1 2 247.298 1.224 20 0 BDADLO CCn1c[nH+]cc1CN1CCOCC(F)(F)C1 ZINC000334954616 387032887 /nfs/dbraw/zinc/03/28/87/387032887.db2.gz BTUPMGACDAGRTJ-UHFFFAOYSA-N 1 2 245.273 1.371 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCn2cnnc2C1 ZINC000333509070 387041125 /nfs/dbraw/zinc/04/11/25/387041125.db2.gz TYXXWFHTPNMBGB-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000333699235 387050321 /nfs/dbraw/zinc/05/03/21/387050321.db2.gz DBPLNGSTXCPOJP-UTLUCORTSA-N 1 2 248.330 1.317 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000333699235 387050326 /nfs/dbraw/zinc/05/03/26/387050326.db2.gz DBPLNGSTXCPOJP-UTLUCORTSA-N 1 2 248.330 1.317 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000333699232 387050526 /nfs/dbraw/zinc/05/05/26/387050526.db2.gz DBPLNGSTXCPOJP-KXUCPTDWSA-N 1 2 248.330 1.317 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000333699232 387050531 /nfs/dbraw/zinc/05/05/31/387050531.db2.gz DBPLNGSTXCPOJP-KXUCPTDWSA-N 1 2 248.330 1.317 20 0 BDADLO CONC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369563576 387056620 /nfs/dbraw/zinc/05/66/20/387056620.db2.gz CGIZFICXWIKHKC-QMMMGPOBSA-N 1 2 237.303 1.316 20 0 BDADLO CONC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369563576 387056623 /nfs/dbraw/zinc/05/66/23/387056623.db2.gz CGIZFICXWIKHKC-QMMMGPOBSA-N 1 2 237.303 1.316 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)c1ccccc1 ZINC000336222570 387061203 /nfs/dbraw/zinc/06/12/03/387061203.db2.gz CIAYMLKPPCETPB-OAHLLOKOSA-N 1 2 220.297 1.728 20 0 BDADLO Cc1cnc(C(=O)NCc2cc(C)[nH+]c(C)c2)o1 ZINC000334976163 387061467 /nfs/dbraw/zinc/06/14/67/387061467.db2.gz RHMSBCCXTTUBAQ-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO CC(C)c1nc(N[C@@H](C)Cn2cncn2)cc[nH+]1 ZINC000110380169 387062845 /nfs/dbraw/zinc/06/28/45/387062845.db2.gz VEBRPVVGCSRFJQ-JTQLQIEISA-N 1 2 246.318 1.692 20 0 BDADLO COc1ncncc1C[N@H+](C)Cc1cccnc1 ZINC000648021969 387017113 /nfs/dbraw/zinc/01/71/13/387017113.db2.gz UBNVWEHEIMZKIO-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ncncc1C[N@@H+](C)Cc1cccnc1 ZINC000648021969 387017119 /nfs/dbraw/zinc/01/71/19/387017119.db2.gz UBNVWEHEIMZKIO-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ncncc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000648021838 387017424 /nfs/dbraw/zinc/01/74/24/387017424.db2.gz NDNHTRRDKZOLRD-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ncncc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000648021838 387017427 /nfs/dbraw/zinc/01/74/27/387017427.db2.gz NDNHTRRDKZOLRD-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO CCC[C@](C)([NH2+]CCCC(=O)OC)C(=O)OC ZINC000117340935 387017965 /nfs/dbraw/zinc/01/79/65/387017965.db2.gz HEGLCZOQKRCGIA-LBPRGKRZSA-N 1 2 245.319 1.261 20 0 BDADLO C[N@H+](CCO[C@@H]1CCCCO1)Cc1cc[nH]n1 ZINC000333099908 387018158 /nfs/dbraw/zinc/01/81/58/387018158.db2.gz FKGDVSNEJMUJFH-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@@H]1CCCCO1)Cc1cc[nH]n1 ZINC000333099908 387018159 /nfs/dbraw/zinc/01/81/59/387018159.db2.gz FKGDVSNEJMUJFH-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000333142884 387018235 /nfs/dbraw/zinc/01/82/35/387018235.db2.gz CPEUSYCCOPSIAJ-GSJFWJNXSA-N 1 2 248.330 1.402 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000333142884 387018238 /nfs/dbraw/zinc/01/82/38/387018238.db2.gz CPEUSYCCOPSIAJ-GSJFWJNXSA-N 1 2 248.330 1.402 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](C)(F)C2)n(C)n1 ZINC000334942219 387018847 /nfs/dbraw/zinc/01/88/47/387018847.db2.gz AWRCEOVFTONQEA-LLVKDONJSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](C)(F)C2)n(C)n1 ZINC000334942219 387018852 /nfs/dbraw/zinc/01/88/52/387018852.db2.gz AWRCEOVFTONQEA-LLVKDONJSA-N 1 2 211.284 1.662 20 0 BDADLO CCn1cncc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000334942923 387019734 /nfs/dbraw/zinc/01/97/34/387019734.db2.gz DDQJOOBFQKLCBO-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cncc1C[N@H+]1CC[C@](C)(F)C1 ZINC000334942923 387019739 /nfs/dbraw/zinc/01/97/39/387019739.db2.gz DDQJOOBFQKLCBO-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)[C@H](C)O1 ZINC000333255726 387022749 /nfs/dbraw/zinc/02/27/49/387022749.db2.gz FDVHUJNZKQPUAA-KHQFGBGNSA-N 1 2 237.303 1.603 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1F ZINC000333242939 387023128 /nfs/dbraw/zinc/02/31/28/387023128.db2.gz FDVRKUXLEDVPRI-KOLSJAJHSA-N 1 2 237.278 1.131 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1F ZINC000333242939 387023131 /nfs/dbraw/zinc/02/31/31/387023131.db2.gz FDVRKUXLEDVPRI-KOLSJAJHSA-N 1 2 237.278 1.131 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC(=O)N1 ZINC000334983913 387072317 /nfs/dbraw/zinc/07/23/17/387072317.db2.gz DANPAAGZIIOMOI-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC(=O)N1 ZINC000334983913 387072321 /nfs/dbraw/zinc/07/23/21/387072321.db2.gz DANPAAGZIIOMOI-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[N@@H+](Cc1cc(O)cc(F)c1)Cc1cnccn1 ZINC000186199234 387076030 /nfs/dbraw/zinc/07/60/30/387076030.db2.gz UDXXLJYREAJSEK-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@]1(C)C[C@H]1F ZINC000424863289 387076894 /nfs/dbraw/zinc/07/68/94/387076894.db2.gz ACRWXZRSTSKBGC-SBMIAAHKSA-N 1 2 239.294 1.828 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000334993610 387084896 /nfs/dbraw/zinc/08/48/96/387084896.db2.gz IKHOUEJATAIFJA-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000334993610 387084901 /nfs/dbraw/zinc/08/49/01/387084901.db2.gz IKHOUEJATAIFJA-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)ccn1 ZINC000336252097 387085136 /nfs/dbraw/zinc/08/51/36/387085136.db2.gz NIRKQYDDHDUCGE-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO CC[C@H](C)C[NH+]1CC(S(=O)(=O)CC)C1 ZINC000418072202 387085693 /nfs/dbraw/zinc/08/56/93/387085693.db2.gz KJERZQVNZLNCDW-VIFPVBQESA-N 1 2 219.350 1.151 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1C[C@H]1COCCO1 ZINC000336256477 387087615 /nfs/dbraw/zinc/08/76/15/387087615.db2.gz BVZHHVOAEKAPHU-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1C[C@H]1COCCO1 ZINC000336256477 387087620 /nfs/dbraw/zinc/08/76/20/387087620.db2.gz BVZHHVOAEKAPHU-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H](C2CC2)O1 ZINC000334999643 387092849 /nfs/dbraw/zinc/09/28/49/387092849.db2.gz PTHFYVDRRUUQEA-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](C2CC2)O1 ZINC000334999643 387092853 /nfs/dbraw/zinc/09/28/53/387092853.db2.gz PTHFYVDRRUUQEA-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1COC(C)(C)C1 ZINC000418088129 387095994 /nfs/dbraw/zinc/09/59/94/387095994.db2.gz JKNIKHNNPDNYMR-MNOVXSKESA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccccn1 ZINC000335003117 387097071 /nfs/dbraw/zinc/09/70/71/387097071.db2.gz IROYQTAXGIBJMX-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccccn1 ZINC000335003117 387097073 /nfs/dbraw/zinc/09/70/73/387097073.db2.gz IROYQTAXGIBJMX-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccccn1 ZINC000335003115 387097185 /nfs/dbraw/zinc/09/71/85/387097185.db2.gz IROYQTAXGIBJMX-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccccn1 ZINC000335003115 387097188 /nfs/dbraw/zinc/09/71/88/387097188.db2.gz IROYQTAXGIBJMX-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)C(F)(F)F)n1C ZINC000336766056 387100922 /nfs/dbraw/zinc/10/09/22/387100922.db2.gz RUTCKGCIZYWZGL-SSDOTTSWSA-N 1 2 221.226 1.769 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC(C)(C)O)o1 ZINC000112634331 387107685 /nfs/dbraw/zinc/10/76/85/387107685.db2.gz NOCBMUYEPJBDKR-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC(C)(C)O)o1 ZINC000112634331 387107687 /nfs/dbraw/zinc/10/76/87/387107687.db2.gz NOCBMUYEPJBDKR-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000336276415 387108569 /nfs/dbraw/zinc/10/85/69/387108569.db2.gz VENHNNVAYSYFQQ-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000336276415 387108573 /nfs/dbraw/zinc/10/85/73/387108573.db2.gz VENHNNVAYSYFQQ-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO CCCC[N@H+](CCOC)Cc1noc(CC)n1 ZINC000069250914 387116430 /nfs/dbraw/zinc/11/64/30/387116430.db2.gz GDTMNOCTESYWLK-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1noc(CC)n1 ZINC000069250914 387116435 /nfs/dbraw/zinc/11/64/35/387116435.db2.gz GDTMNOCTESYWLK-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CN(Cc1c[nH+]cn1C)c1cccc(O)c1 ZINC000336295064 387124965 /nfs/dbraw/zinc/12/49/65/387124965.db2.gz IRPRJHHRKCAEIC-UHFFFAOYSA-N 1 2 217.272 1.762 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000336297281 387126389 /nfs/dbraw/zinc/12/63/89/387126389.db2.gz ZOJKKEHEIGPGGX-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000336297281 387126394 /nfs/dbraw/zinc/12/63/94/387126394.db2.gz ZOJKKEHEIGPGGX-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c(O)cccc1F ZINC000228905980 387126608 /nfs/dbraw/zinc/12/66/08/387126608.db2.gz ASBHAEINDLMTPW-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO COC(=O)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000186727425 387128734 /nfs/dbraw/zinc/12/87/34/387128734.db2.gz HFERLSXHXVWILH-UHFFFAOYSA-N 1 2 233.311 1.835 20 0 BDADLO COC(=O)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000186727425 387128736 /nfs/dbraw/zinc/12/87/36/387128736.db2.gz HFERLSXHXVWILH-UHFFFAOYSA-N 1 2 233.311 1.835 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)NCc1[nH+]ccn1C ZINC000334981041 387068047 /nfs/dbraw/zinc/06/80/47/387068047.db2.gz CWDGXOSCLQMDMV-VHSXEESVSA-N 1 2 236.319 1.360 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000571691400 387142353 /nfs/dbraw/zinc/14/23/53/387142353.db2.gz TUTUAXCCQNUBJJ-LLVKDONJSA-N 1 2 209.268 1.918 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000571691400 387142359 /nfs/dbraw/zinc/14/23/59/387142359.db2.gz TUTUAXCCQNUBJJ-LLVKDONJSA-N 1 2 209.268 1.918 20 0 BDADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cn(C)nn1 ZINC000353121205 387143820 /nfs/dbraw/zinc/14/38/20/387143820.db2.gz SEJWNLDZLFWSRU-UHFFFAOYSA-N 1 2 249.318 1.445 20 0 BDADLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000353158909 387146993 /nfs/dbraw/zinc/14/69/93/387146993.db2.gz CCXQWSDHNGMEOT-NWDGAFQWSA-N 1 2 239.319 1.002 20 0 BDADLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000353158908 387147192 /nfs/dbraw/zinc/14/71/92/387147192.db2.gz CCXQWSDHNGMEOT-NEPJUHHUSA-N 1 2 239.319 1.002 20 0 BDADLO COC[C@H](C)[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000371103923 387147641 /nfs/dbraw/zinc/14/76/41/387147641.db2.gz JRULJHBWKVORSN-DTWKUNHWSA-N 1 2 211.265 1.241 20 0 BDADLO COC[C@H](C)[N@H+]1CCC[C@@H]1c1ncon1 ZINC000371103923 387147645 /nfs/dbraw/zinc/14/76/45/387147645.db2.gz JRULJHBWKVORSN-DTWKUNHWSA-N 1 2 211.265 1.241 20 0 BDADLO CO[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000359705407 387152301 /nfs/dbraw/zinc/15/23/01/387152301.db2.gz OATHULQJPVQVHQ-LLVKDONJSA-N 1 2 247.342 1.889 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193297125 387192902 /nfs/dbraw/zinc/19/29/02/387192902.db2.gz XCGZBGNTXMAAAT-NXEZZACHSA-N 1 2 223.324 1.221 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H](CC2CC2)C1 ZINC000359729736 387157325 /nfs/dbraw/zinc/15/73/25/387157325.db2.gz NRBPZGMIRPQURW-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193297125 387192909 /nfs/dbraw/zinc/19/29/09/387192909.db2.gz XCGZBGNTXMAAAT-NXEZZACHSA-N 1 2 223.324 1.221 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1C1CC1 ZINC000336331512 387158986 /nfs/dbraw/zinc/15/89/86/387158986.db2.gz HMYNVBVNQIQCPW-BDAKNGLRSA-N 1 2 220.320 1.762 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1C1CC1 ZINC000336331512 387158995 /nfs/dbraw/zinc/15/89/95/387158995.db2.gz HMYNVBVNQIQCPW-BDAKNGLRSA-N 1 2 220.320 1.762 20 0 BDADLO Cc1c[nH+]ccc1CCNc1nnc(C)c(C)n1 ZINC000359769442 387163276 /nfs/dbraw/zinc/16/32/76/387163276.db2.gz PZQJEONOQIYTBK-UHFFFAOYSA-N 1 2 243.314 1.268 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H](C)OC ZINC000229375928 387166655 /nfs/dbraw/zinc/16/66/55/387166655.db2.gz QNQYUPMZEOAGTD-VWYCJHECSA-N 1 2 231.336 1.587 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(=O)OC)C12CCCC2 ZINC000085677390 387166979 /nfs/dbraw/zinc/16/69/79/387166979.db2.gz MTWDKPNOCVZKTJ-WDEREUQCSA-N 1 2 241.331 1.487 20 0 BDADLO COCCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493523342 533213069 /nfs/dbraw/zinc/21/30/69/533213069.db2.gz KXJLQJFPLCNKIZ-ARJAWSKDSA-N 1 2 249.314 1.498 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000352421378 387184779 /nfs/dbraw/zinc/18/47/79/387184779.db2.gz LBSVTJXEURTDAM-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000352421378 387184783 /nfs/dbraw/zinc/18/47/83/387184783.db2.gz LBSVTJXEURTDAM-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000228995490 387136018 /nfs/dbraw/zinc/13/60/18/387136018.db2.gz PEEKQRJWRDDUJF-JTQLQIEISA-N 1 2 229.283 1.830 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000228995490 387136026 /nfs/dbraw/zinc/13/60/26/387136026.db2.gz PEEKQRJWRDDUJF-JTQLQIEISA-N 1 2 229.283 1.830 20 0 BDADLO C[C@H]1CCC[C@H](C)C1NCC(F)(F)C[NH3+] ZINC000423350396 387204122 /nfs/dbraw/zinc/20/41/22/387204122.db2.gz ZGQVOIKBFKMVSX-IUCAKERBSA-N 1 2 220.307 1.995 20 0 BDADLO Cc1nnsc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000571980252 387213631 /nfs/dbraw/zinc/21/36/31/387213631.db2.gz BZGABPGRHLNVTI-NZFNHWASSA-N 1 2 247.389 1.045 20 0 BDADLO Cc1nnsc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000571980252 387213637 /nfs/dbraw/zinc/21/36/37/387213637.db2.gz BZGABPGRHLNVTI-NZFNHWASSA-N 1 2 247.389 1.045 20 0 BDADLO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000353505789 387217433 /nfs/dbraw/zinc/21/74/33/387217433.db2.gz WDEYBECWBYDCNL-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCSC1 ZINC000353527264 387223667 /nfs/dbraw/zinc/22/36/67/387223667.db2.gz CCLVZTBTRRUJTJ-NXEZZACHSA-N 1 2 239.344 1.141 20 0 BDADLO C[C@@H]1OCC[C@]1(C)Nc1[nH+]cnc2c1cnn2C ZINC000230098815 387230658 /nfs/dbraw/zinc/23/06/58/387230658.db2.gz SYGGNVPTGLBILH-UFBFGSQYSA-N 1 2 247.302 1.343 20 0 BDADLO CCO[C@H](C)c1noc(C[NH+]2CCCC2)n1 ZINC000120338610 387232478 /nfs/dbraw/zinc/23/24/78/387232478.db2.gz AOFUIGJPHUDBEI-SECBINFHSA-N 1 2 225.292 1.763 20 0 BDADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CC(C)(C)O ZINC000336418762 387244842 /nfs/dbraw/zinc/24/48/42/387244842.db2.gz MZXHUJTVHBEAQQ-UHFFFAOYSA-N 1 2 237.278 1.317 20 0 BDADLO Cc1cnn(C)c1CNc1ccc(N(C)C)[nH+]c1 ZINC000284995667 387247657 /nfs/dbraw/zinc/24/76/57/387247657.db2.gz CRBFIMXIMQSBIY-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO O=C1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)CN1 ZINC000336365671 387196186 /nfs/dbraw/zinc/19/61/86/387196186.db2.gz VJMMUDQBBWTTGB-JTQLQIEISA-N 1 2 245.257 1.674 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000069518890 387196286 /nfs/dbraw/zinc/19/62/86/387196286.db2.gz ZZMKBPJIGGLMLK-JTQLQIEISA-N 1 2 236.315 1.893 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000069518890 387196292 /nfs/dbraw/zinc/19/62/92/387196292.db2.gz ZZMKBPJIGGLMLK-JTQLQIEISA-N 1 2 236.315 1.893 20 0 BDADLO NCC(F)(F)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423349367 387201013 /nfs/dbraw/zinc/20/10/13/387201013.db2.gz WIYRISLMZNHICS-KXUCPTDWSA-N 1 2 246.301 1.128 20 0 BDADLO Cn1[nH]c(C[N@@H+]2CC[C@@H]2c2ccccc2)nc1=O ZINC000336486212 387314697 /nfs/dbraw/zinc/31/46/97/387314697.db2.gz IMBFABCOEMYFSU-LLVKDONJSA-N 1 2 244.298 1.055 20 0 BDADLO Cn1[nH]c(C[N@H+]2CC[C@@H]2c2ccccc2)nc1=O ZINC000336486212 387314702 /nfs/dbraw/zinc/31/47/02/387314702.db2.gz IMBFABCOEMYFSU-LLVKDONJSA-N 1 2 244.298 1.055 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(F)cc2F)n1 ZINC000290061950 387259944 /nfs/dbraw/zinc/25/99/44/387259944.db2.gz HINLJFSJNFMUTC-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000353701822 387260575 /nfs/dbraw/zinc/26/05/75/387260575.db2.gz HJIRGJZEHASNRN-BETUJISGSA-N 1 2 235.331 1.656 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000353701822 387260582 /nfs/dbraw/zinc/26/05/82/387260582.db2.gz HJIRGJZEHASNRN-BETUJISGSA-N 1 2 235.331 1.656 20 0 BDADLO C[C@@H](CCO)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000372116088 387274266 /nfs/dbraw/zinc/27/42/66/387274266.db2.gz LTLZKHCBLQAATL-NSHDSACASA-N 1 2 246.314 1.120 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)c2ccon2)cc[nH+]1 ZINC000353804760 387277570 /nfs/dbraw/zinc/27/75/70/387277570.db2.gz BQZZLTQEVTXZIU-SECBINFHSA-N 1 2 246.270 1.683 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)c1cnn(C)c1 ZINC000336450147 387278254 /nfs/dbraw/zinc/27/82/54/387278254.db2.gz WHLSGQGQPXIZIK-SNVBAGLBSA-N 1 2 244.298 1.288 20 0 BDADLO Cc1nc(N)c(CNC(=O)C2CC(C)(C)C2)c[nH+]1 ZINC000514730206 387282456 /nfs/dbraw/zinc/28/24/56/387282456.db2.gz JZIFDBFYOAYXEZ-UHFFFAOYSA-N 1 2 248.330 1.250 20 0 BDADLO O=S1CC[NH+](CCCc2ccncc2)CC1 ZINC000360450147 387282699 /nfs/dbraw/zinc/28/26/99/387282699.db2.gz UHFMIIUMDVJTOJ-UHFFFAOYSA-N 1 2 238.356 1.079 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000514738954 387284749 /nfs/dbraw/zinc/28/47/49/387284749.db2.gz VCRBWPZVYVOJOI-LLVKDONJSA-N 1 2 234.299 1.352 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000514738954 387284755 /nfs/dbraw/zinc/28/47/55/387284755.db2.gz VCRBWPZVYVOJOI-LLVKDONJSA-N 1 2 234.299 1.352 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000336460104 387291083 /nfs/dbraw/zinc/29/10/83/387291083.db2.gz GUKQZQIYCRPXHP-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)n1 ZINC000336460104 387291088 /nfs/dbraw/zinc/29/10/88/387291088.db2.gz GUKQZQIYCRPXHP-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccnc1 ZINC000258857216 387303606 /nfs/dbraw/zinc/30/36/06/387303606.db2.gz SLAQDNMYTNQVSS-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccnc1 ZINC000258857216 387303610 /nfs/dbraw/zinc/30/36/10/387303610.db2.gz SLAQDNMYTNQVSS-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336532220 387355209 /nfs/dbraw/zinc/35/52/09/387355209.db2.gz GFNJCYGWDFIONZ-RKDXNWHRSA-N 1 2 223.276 1.108 20 0 BDADLO Cc1cnc(NC(=O)NCc2[nH+]ccn2C)o1 ZINC000336539009 387359080 /nfs/dbraw/zinc/35/90/80/387359080.db2.gz SMUXOWMXWYTDCS-UHFFFAOYSA-N 1 2 235.247 1.038 20 0 BDADLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H](C)O)[nH+]1 ZINC000336539352 387360310 /nfs/dbraw/zinc/36/03/10/387360310.db2.gz SKGFLDGEJDIZKT-SECBINFHSA-N 1 2 245.282 1.704 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nnc(C(F)F)s1 ZINC000360909799 387364298 /nfs/dbraw/zinc/36/42/98/387364298.db2.gz LYBGDADESPZGRA-UHFFFAOYSA-N 1 2 245.258 1.835 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000360939257 387371272 /nfs/dbraw/zinc/37/12/72/387371272.db2.gz BXYDVUJVUPKHSO-SECBINFHSA-N 1 2 249.343 1.609 20 0 BDADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000360939257 387371277 /nfs/dbraw/zinc/37/12/77/387371277.db2.gz BXYDVUJVUPKHSO-SECBINFHSA-N 1 2 249.343 1.609 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccc(F)cn1)C2 ZINC000372751375 387325485 /nfs/dbraw/zinc/32/54/85/387325485.db2.gz PLRMLFXOEJGCFX-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@](F)(CO)C2)o1 ZINC000336505226 387330399 /nfs/dbraw/zinc/33/03/99/387330399.db2.gz NRPQLHJJDMKKRL-CMPLNLGQSA-N 1 2 242.294 1.840 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCC[C@](F)(CO)C2)o1 ZINC000336505226 387330402 /nfs/dbraw/zinc/33/04/02/387330402.db2.gz NRPQLHJJDMKKRL-CMPLNLGQSA-N 1 2 242.294 1.840 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336514751 387338920 /nfs/dbraw/zinc/33/89/20/387338920.db2.gz NXVAREWNVDMOBD-VHSXEESVSA-N 1 2 233.315 1.841 20 0 BDADLO Cn1c[nH+]cc1CSc1nncn1C1CC1 ZINC000360706452 387340252 /nfs/dbraw/zinc/34/02/52/387340252.db2.gz AUECXKPDZBPEIZ-UHFFFAOYSA-N 1 2 235.316 1.639 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)on1 ZINC000336520919 387347621 /nfs/dbraw/zinc/34/76/21/387347621.db2.gz WKVUPDZUQBKDGK-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)on1 ZINC000336520919 387347623 /nfs/dbraw/zinc/34/76/23/387347623.db2.gz WKVUPDZUQBKDGK-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO CSCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000368419672 387351899 /nfs/dbraw/zinc/35/18/99/387351899.db2.gz NJRNRGKNDUCXHE-SSDOTTSWSA-N 1 2 211.277 1.051 20 0 BDADLO CSCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000368419672 387351904 /nfs/dbraw/zinc/35/19/04/387351904.db2.gz NJRNRGKNDUCXHE-SSDOTTSWSA-N 1 2 211.277 1.051 20 0 BDADLO CCCCC[N@H+](CCO)Cc1noc(C)n1 ZINC000304021875 387430790 /nfs/dbraw/zinc/43/07/90/387430790.db2.gz DKRZERWQZPYEBE-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1noc(C)n1 ZINC000304021875 387430794 /nfs/dbraw/zinc/43/07/94/387430794.db2.gz DKRZERWQZPYEBE-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cnccc1C ZINC000354914230 387447015 /nfs/dbraw/zinc/44/70/15/387447015.db2.gz DAQMVGMSZLGVMD-LBPRGKRZSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cnccc1C ZINC000354914230 387447023 /nfs/dbraw/zinc/44/70/23/387447023.db2.gz DAQMVGMSZLGVMD-LBPRGKRZSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361366072 387447060 /nfs/dbraw/zinc/44/70/60/387447060.db2.gz RQHXHSRYFRIGPG-GFCCVEGCSA-N 1 2 235.283 1.313 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361366072 387447067 /nfs/dbraw/zinc/44/70/67/387447067.db2.gz RQHXHSRYFRIGPG-GFCCVEGCSA-N 1 2 235.283 1.313 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000336571755 387395397 /nfs/dbraw/zinc/39/53/97/387395397.db2.gz XHLJTCJFXSBVRL-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000336571755 387395399 /nfs/dbraw/zinc/39/53/99/387395399.db2.gz XHLJTCJFXSBVRL-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO Cc1c([C@@H]2CCC[N@@H+]2[C@H]2CCOC2=O)cnn1C ZINC000361067774 387397098 /nfs/dbraw/zinc/39/70/98/387397098.db2.gz FHUQLCAWKQHOOW-RYUDHWBXSA-N 1 2 249.314 1.181 20 0 BDADLO Cc1c([C@@H]2CCC[N@H+]2[C@H]2CCOC2=O)cnn1C ZINC000361067774 387397102 /nfs/dbraw/zinc/39/71/02/387397102.db2.gz FHUQLCAWKQHOOW-RYUDHWBXSA-N 1 2 249.314 1.181 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336574353 387397697 /nfs/dbraw/zinc/39/76/97/387397697.db2.gz IFOGNJOSBODBFP-PHIMTYICSA-N 1 2 222.288 1.655 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336574353 387397702 /nfs/dbraw/zinc/39/77/02/387397702.db2.gz IFOGNJOSBODBFP-PHIMTYICSA-N 1 2 222.288 1.655 20 0 BDADLO CCCCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000373836492 387398015 /nfs/dbraw/zinc/39/80/15/387398015.db2.gz RLAGGWSBINHQPL-UHFFFAOYSA-N 1 2 238.335 1.880 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC)C(=O)OC ZINC000303869995 387405726 /nfs/dbraw/zinc/40/57/26/387405726.db2.gz JJIAMCXGYUTCII-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)C(=O)OC ZINC000303870005 387406610 /nfs/dbraw/zinc/40/66/10/387406610.db2.gz JJIAMCXGYUTCII-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(C)C1 ZINC000336584894 387409778 /nfs/dbraw/zinc/40/97/78/387409778.db2.gz JOCUMAOEBXQIPC-UHFFFAOYSA-N 1 2 205.261 1.296 20 0 BDADLO Cn1c[nH+]cc1CSC1=NCCS1 ZINC000267769340 387411975 /nfs/dbraw/zinc/41/19/75/387411975.db2.gz KSKXBOOPFFOBAE-UHFFFAOYSA-N 1 2 213.331 1.756 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352657395 387422233 /nfs/dbraw/zinc/42/22/33/387422233.db2.gz ADZHVRBGOCMVQA-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352657395 387422237 /nfs/dbraw/zinc/42/22/37/387422237.db2.gz ADZHVRBGOCMVQA-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352657394 387422371 /nfs/dbraw/zinc/42/23/71/387422371.db2.gz ADZHVRBGOCMVQA-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352657394 387422376 /nfs/dbraw/zinc/42/23/76/387422376.db2.gz ADZHVRBGOCMVQA-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(OC)nc2)CCO1 ZINC000085785047 387501417 /nfs/dbraw/zinc/50/14/17/387501417.db2.gz WFKRBCCDNZRTDQ-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(OC)nc2)CCO1 ZINC000085785047 387501419 /nfs/dbraw/zinc/50/14/19/387501419.db2.gz WFKRBCCDNZRTDQ-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000572455655 387502877 /nfs/dbraw/zinc/50/28/77/387502877.db2.gz WUDDLUNDMBYKBZ-IQJOONFLSA-N 1 2 242.344 1.598 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C/C=C\c1ccncc1 ZINC000426151807 387543065 /nfs/dbraw/zinc/54/30/65/387543065.db2.gz XYSGHUDXGDRLHK-VSQXVHSFSA-N 1 2 245.326 1.257 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C/C=C\c1ccncc1 ZINC000426151807 387543069 /nfs/dbraw/zinc/54/30/69/387543069.db2.gz XYSGHUDXGDRLHK-VSQXVHSFSA-N 1 2 245.326 1.257 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC1CCCCC1)[C@H](C)O ZINC000361605351 387510632 /nfs/dbraw/zinc/51/06/32/387510632.db2.gz WUPNYHOLNGXAES-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO COCc1ccc(C[N@H+](C)Cc2ccnn2C)o1 ZINC000355278580 387512019 /nfs/dbraw/zinc/51/20/19/387512019.db2.gz JSLKDNWVGKMGJK-UHFFFAOYSA-N 1 2 249.314 1.792 20 0 BDADLO COCc1ccc(C[N@@H+](C)Cc2ccnn2C)o1 ZINC000355278580 387512026 /nfs/dbraw/zinc/51/20/26/387512026.db2.gz JSLKDNWVGKMGJK-UHFFFAOYSA-N 1 2 249.314 1.792 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ncc(C)s1 ZINC000516462926 387512408 /nfs/dbraw/zinc/51/24/08/387512408.db2.gz ALKKRKFPGXRNQZ-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ncc(C)s1 ZINC000516462926 387512410 /nfs/dbraw/zinc/51/24/10/387512410.db2.gz ALKKRKFPGXRNQZ-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000361629935 387512704 /nfs/dbraw/zinc/51/27/04/387512704.db2.gz LUIAUIKGRZNTDJ-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000361629935 387512709 /nfs/dbraw/zinc/51/27/09/387512709.db2.gz LUIAUIKGRZNTDJ-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1[C@H](C)C[C@@H]1C ZINC000527166371 387513804 /nfs/dbraw/zinc/51/38/04/387513804.db2.gz VJHMYFCNGIXMAW-GARJFASQSA-N 1 2 236.319 1.464 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOCC(F)(F)F ZINC000361644455 387514869 /nfs/dbraw/zinc/51/48/69/387514869.db2.gz AHINRVBRRVUPRP-SSDOTTSWSA-N 1 2 243.225 1.059 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCC(F)(F)F ZINC000361644455 387514873 /nfs/dbraw/zinc/51/48/73/387514873.db2.gz AHINRVBRRVUPRP-SSDOTTSWSA-N 1 2 243.225 1.059 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2ncc[nH]2)C[C@H]1C ZINC000355354780 387523940 /nfs/dbraw/zinc/52/39/40/387523940.db2.gz LYOSXBXVXTZXGF-ZJUUUORDSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@H]1C ZINC000355354780 387523943 /nfs/dbraw/zinc/52/39/43/387523943.db2.gz LYOSXBXVXTZXGF-ZJUUUORDSA-N 1 2 237.303 1.041 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375323250 387528021 /nfs/dbraw/zinc/52/80/21/387528021.db2.gz ZFZSWUFPWWUVJV-MNOVXSKESA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375323250 387528024 /nfs/dbraw/zinc/52/80/24/387528024.db2.gz ZFZSWUFPWWUVJV-MNOVXSKESA-N 1 2 239.344 1.682 20 0 BDADLO CCOc1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000355372828 387528063 /nfs/dbraw/zinc/52/80/63/387528063.db2.gz HHBOTVIXYJEPSQ-UHFFFAOYSA-N 1 2 233.275 1.235 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H](C)O)s1 ZINC000361506334 387475291 /nfs/dbraw/zinc/47/52/91/387475291.db2.gz FIOCACHLGQVVKF-BQBZGAKWSA-N 1 2 215.322 1.220 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H](C)O)s1 ZINC000361506334 387475295 /nfs/dbraw/zinc/47/52/95/387475295.db2.gz FIOCACHLGQVVKF-BQBZGAKWSA-N 1 2 215.322 1.220 20 0 BDADLO CC(C)CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355080056 387477182 /nfs/dbraw/zinc/47/71/82/387477182.db2.gz ZFSMOXAZVHAVBT-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355080056 387477185 /nfs/dbraw/zinc/47/71/85/387477185.db2.gz ZFSMOXAZVHAVBT-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)C(C)C)CC2 ZINC000374660456 387478257 /nfs/dbraw/zinc/47/82/57/387478257.db2.gz GFHOWUVEZMCLIG-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OC ZINC000355080317 387478224 /nfs/dbraw/zinc/47/82/24/387478224.db2.gz DWIXSUHSIJLTOZ-CMPLNLGQSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374661142 387478748 /nfs/dbraw/zinc/47/87/48/387478748.db2.gz LAXMRVJNLWOHSW-SMDDNHRTSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccoc1C)CC2 ZINC000374662198 387479087 /nfs/dbraw/zinc/47/90/87/387479087.db2.gz MXRNFUCANMOZRZ-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cscn1)CC2 ZINC000374691153 387480059 /nfs/dbraw/zinc/48/00/59/387480059.db2.gz CFGPTMNREPUYPZ-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO CC[C@H](C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000421908227 387483114 /nfs/dbraw/zinc/48/31/14/387483114.db2.gz FGKLQTGXRHZUKM-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccccn1)CC2 ZINC000374716018 387485543 /nfs/dbraw/zinc/48/55/43/387485543.db2.gz OPHVHYGJFWHSFM-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO C[C@H](NC(=O)C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000355129572 387485596 /nfs/dbraw/zinc/48/55/96/387485596.db2.gz FLSVDPYSDWNJFH-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@@H+](Cc1nnc(C)o1)C[C@H](C)OC ZINC000361563095 387491902 /nfs/dbraw/zinc/49/19/02/387491902.db2.gz KTPZOASYVGUWNL-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1nnc(C)o1)C[C@H](C)OC ZINC000361563095 387491909 /nfs/dbraw/zinc/49/19/09/387491909.db2.gz KTPZOASYVGUWNL-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000355880385 387581927 /nfs/dbraw/zinc/58/19/27/387581927.db2.gz NQFFUKBQPDBCAH-PISXGGPESA-N 1 2 243.294 1.780 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(F)(F)F ZINC000355880385 387581929 /nfs/dbraw/zinc/58/19/29/387581929.db2.gz NQFFUKBQPDBCAH-PISXGGPESA-N 1 2 243.294 1.780 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc[nH]1)CO2 ZINC000123514845 387583865 /nfs/dbraw/zinc/58/38/65/387583865.db2.gz VGAIVAFPTGXWBJ-NSHDSACASA-N 1 2 229.283 1.941 20 0 BDADLO O=C1C[N@@H+](CC2(F)CC2)[C@@H]2CCCC[C@@H]2N1 ZINC000527511063 387589352 /nfs/dbraw/zinc/58/93/52/387589352.db2.gz SLCPQNCGDPUQSR-VHSXEESVSA-N 1 2 226.295 1.232 20 0 BDADLO O=C1C[N@H+](CC2(F)CC2)[C@@H]2CCCC[C@@H]2N1 ZINC000527511063 387589354 /nfs/dbraw/zinc/58/93/54/387589354.db2.gz SLCPQNCGDPUQSR-VHSXEESVSA-N 1 2 226.295 1.232 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)CCC(F)(F)F ZINC000355889005 387591535 /nfs/dbraw/zinc/59/15/35/387591535.db2.gz JJVFPNLCCDVJRX-UHFFFAOYSA-N 1 2 227.226 1.822 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)CCC(F)(F)F ZINC000355889005 387591538 /nfs/dbraw/zinc/59/15/38/387591538.db2.gz JJVFPNLCCDVJRX-UHFFFAOYSA-N 1 2 227.226 1.822 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000362286430 387593325 /nfs/dbraw/zinc/59/33/25/387593325.db2.gz SXBNXWKVQRBMDG-MRVPVSSYSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@H+]2CCCO[C@H](C)C2)s1 ZINC000362286430 387593326 /nfs/dbraw/zinc/59/33/26/387593326.db2.gz SXBNXWKVQRBMDG-MRVPVSSYSA-N 1 2 227.333 1.457 20 0 BDADLO C[N@H+](CCC1CC1)Cc1nnnn1C(C)(C)C ZINC000362332370 387597271 /nfs/dbraw/zinc/59/72/71/387597271.db2.gz JHMORILKOZAUGC-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO C[N@@H+](CCC1CC1)Cc1nnnn1C(C)(C)C ZINC000362332370 387597275 /nfs/dbraw/zinc/59/72/75/387597275.db2.gz JHMORILKOZAUGC-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)s1 ZINC000376011843 387601118 /nfs/dbraw/zinc/60/11/18/387601118.db2.gz BLDPXJJHWMQSDU-NXEZZACHSA-N 1 2 239.344 1.600 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]3OCC[C@H]32)s1 ZINC000376011843 387601121 /nfs/dbraw/zinc/60/11/21/387601121.db2.gz BLDPXJJHWMQSDU-NXEZZACHSA-N 1 2 239.344 1.600 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cc1ccoc1 ZINC000356222118 387629024 /nfs/dbraw/zinc/62/90/24/387629024.db2.gz NKKBELWRXQPRIM-UHFFFAOYSA-N 1 2 230.267 1.840 20 0 BDADLO CNC(=O)C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424127375 387602808 /nfs/dbraw/zinc/60/28/08/387602808.db2.gz CTDCBHGTJGKVKJ-UHFFFAOYSA-N 1 2 228.242 1.109 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000355997527 387603521 /nfs/dbraw/zinc/60/35/21/387603521.db2.gz ZQPHBSMNWDUNIR-KOLCDFICSA-N 1 2 239.319 1.130 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccnc(C)c1 ZINC000527538222 387607073 /nfs/dbraw/zinc/60/70/73/387607073.db2.gz IKGQMMXUUUSTPB-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527538222 387607075 /nfs/dbraw/zinc/60/70/75/387607075.db2.gz IKGQMMXUUUSTPB-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cnns1 ZINC000430344388 387611716 /nfs/dbraw/zinc/61/17/16/387611716.db2.gz OLOIPEQEJQSQFH-YUMQZZPRSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)Cn1nccc1NCc1[nH]cc[nH+]1 ZINC000122963794 387621298 /nfs/dbraw/zinc/62/12/98/387621298.db2.gz FEIGNGFMZULBCI-UHFFFAOYSA-N 1 2 219.292 1.874 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1ccnc(C)c1)C2 ZINC000527532922 387623425 /nfs/dbraw/zinc/62/34/25/387623425.db2.gz FHVOFNRDOQFZKG-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccnc(C)c1)C2 ZINC000527532922 387623430 /nfs/dbraw/zinc/62/34/30/387623430.db2.gz FHVOFNRDOQFZKG-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccco1 ZINC000037017319 387557813 /nfs/dbraw/zinc/55/78/13/387557813.db2.gz IRWRBRMYIPZETA-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@H](C1CCC1)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000355626009 387558274 /nfs/dbraw/zinc/55/82/74/387558274.db2.gz WKIRLNQIDKHQGQ-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H](C1CCC1)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000355626007 387558412 /nfs/dbraw/zinc/55/84/12/387558412.db2.gz WKIRLNQIDKHQGQ-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363160999 387694560 /nfs/dbraw/zinc/69/45/60/387694560.db2.gz ODORJJRSUWMDIX-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2(C)C)ccn1 ZINC000527535652 387631045 /nfs/dbraw/zinc/63/10/45/387631045.db2.gz RRVUVKHSSYSMQK-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2(C)C)ccn1 ZINC000527535652 387631051 /nfs/dbraw/zinc/63/10/51/387631051.db2.gz RRVUVKHSSYSMQK-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccn(C)n2)nc1 ZINC000124717807 387632189 /nfs/dbraw/zinc/63/21/89/387632189.db2.gz ONJFACLCRWJPAM-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO C[NH2+]CCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000422735138 387642476 /nfs/dbraw/zinc/64/24/76/387642476.db2.gz VPSSYHVGARNPFJ-UHFFFAOYSA-N 1 2 244.241 1.010 20 0 BDADLO Cc1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000356333974 387645481 /nfs/dbraw/zinc/64/54/81/387645481.db2.gz BRECAJMEKHAFFB-UHFFFAOYSA-N 1 2 228.295 1.916 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@H]1C1CC1 ZINC000527644232 387652335 /nfs/dbraw/zinc/65/23/35/387652335.db2.gz OBZQJTYHNQAAPC-CYZMBNFOSA-N 1 2 247.342 1.682 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422750338 387655093 /nfs/dbraw/zinc/65/50/93/387655093.db2.gz CTWLYAKQRNDCEE-MGPQQGTHSA-N 1 2 239.407 1.720 20 0 BDADLO Cc1cocc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000527706810 387667761 /nfs/dbraw/zinc/66/77/61/387667761.db2.gz ZNGACTSLCHZSES-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000440707435 387675453 /nfs/dbraw/zinc/67/54/53/387675453.db2.gz YHXCDBGKOJMNAU-OLZOCXBDSA-N 1 2 246.370 1.777 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000440707435 387675458 /nfs/dbraw/zinc/67/54/58/387675458.db2.gz YHXCDBGKOJMNAU-OLZOCXBDSA-N 1 2 246.370 1.777 20 0 BDADLO CCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363096503 387688149 /nfs/dbraw/zinc/68/81/49/387688149.db2.gz WKSDHABHHQTEFK-SNVBAGLBSA-N 1 2 221.304 1.362 20 0 BDADLO C[C@H](NCc1cn(C)c[nH+]1)c1ncccc1F ZINC000527828805 387748616 /nfs/dbraw/zinc/74/86/16/387748616.db2.gz XOQNDELVXWCFIC-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO c1cn([C@@H]2CCC[N@@H+](Cc3ccon3)C2)cn1 ZINC000377790174 387749386 /nfs/dbraw/zinc/74/93/86/387749386.db2.gz UMPJKZFTSUVATN-GFCCVEGCSA-N 1 2 232.287 1.708 20 0 BDADLO c1cn([C@@H]2CCC[N@H+](Cc3ccon3)C2)cn1 ZINC000377790174 387749394 /nfs/dbraw/zinc/74/93/94/387749394.db2.gz UMPJKZFTSUVATN-GFCCVEGCSA-N 1 2 232.287 1.708 20 0 BDADLO Fc1ccc(CC[N@@H+]2CCO[C@H]3C[C@H]32)cc1F ZINC000367779747 387752281 /nfs/dbraw/zinc/75/22/81/387752281.db2.gz PAJSFCZCLMDYRI-OLZOCXBDSA-N 1 2 239.265 1.980 20 0 BDADLO Fc1ccc(CC[N@H+]2CCO[C@H]3C[C@H]32)cc1F ZINC000367779747 387752287 /nfs/dbraw/zinc/75/22/87/387752287.db2.gz PAJSFCZCLMDYRI-OLZOCXBDSA-N 1 2 239.265 1.980 20 0 BDADLO CCC[C@]1(CO)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000377839780 387753015 /nfs/dbraw/zinc/75/30/15/387753015.db2.gz MGROWYJSRHHYOD-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO CCC[C@]1(CO)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000377839780 387753020 /nfs/dbraw/zinc/75/30/20/387753020.db2.gz MGROWYJSRHHYOD-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO CC[C@@H](F)C[N@H+](CC(=O)OC)C(C)C ZINC000440795963 387701473 /nfs/dbraw/zinc/70/14/73/387701473.db2.gz VECJNKDGQLYVMJ-SECBINFHSA-N 1 2 205.273 1.618 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC(=O)OC)C(C)C ZINC000440795963 387701477 /nfs/dbraw/zinc/70/14/77/387701477.db2.gz VECJNKDGQLYVMJ-SECBINFHSA-N 1 2 205.273 1.618 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOC(C)(C)C2)no1 ZINC000377387554 387712521 /nfs/dbraw/zinc/71/25/21/387712521.db2.gz UNWZDODCVMNWDK-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CCCOC(C)(C)C2)no1 ZINC000377387554 387712527 /nfs/dbraw/zinc/71/25/27/387712527.db2.gz UNWZDODCVMNWDK-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO CCCCc1noc([C@@H](C)[N@H+](C)CCCO)n1 ZINC000440942526 387713431 /nfs/dbraw/zinc/71/34/31/387713431.db2.gz NRMCQOZVFTWNBB-SNVBAGLBSA-N 1 2 241.335 1.787 20 0 BDADLO CCCCc1noc([C@@H](C)[N@@H+](C)CCCO)n1 ZINC000440942526 387713434 /nfs/dbraw/zinc/71/34/34/387713434.db2.gz NRMCQOZVFTWNBB-SNVBAGLBSA-N 1 2 241.335 1.787 20 0 BDADLO CN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431527094 387716054 /nfs/dbraw/zinc/71/60/54/387716054.db2.gz ZMFUJVDDGAGNIR-UHFFFAOYSA-N 1 2 243.310 1.562 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000377880030 387755542 /nfs/dbraw/zinc/75/55/42/387755542.db2.gz RCDYMRVJGJMATQ-CYBMUJFWSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000377880030 387755543 /nfs/dbraw/zinc/75/55/43/387755543.db2.gz RCDYMRVJGJMATQ-CYBMUJFWSA-N 1 2 228.299 1.762 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)[nH]1 ZINC000452069795 387723445 /nfs/dbraw/zinc/72/34/45/387723445.db2.gz NEIAGNBGISKAMK-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)[nH]1 ZINC000452069795 387723450 /nfs/dbraw/zinc/72/34/50/387723450.db2.gz NEIAGNBGISKAMK-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2C[C@H]2CCCCO2)no1 ZINC000377498841 387723674 /nfs/dbraw/zinc/72/36/74/387723674.db2.gz XQEDVMHBRCWWQS-GHMZBOCLSA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2C[C@H]2CCCCO2)no1 ZINC000377498841 387723678 /nfs/dbraw/zinc/72/36/78/387723678.db2.gz XQEDVMHBRCWWQS-GHMZBOCLSA-N 1 2 237.303 1.776 20 0 BDADLO CC[C@H]1COCCN1Cc1[nH+]ccn1C ZINC000115573141 387725539 /nfs/dbraw/zinc/72/55/39/387725539.db2.gz QPFIRIYWCBQDPJ-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000527803433 387726482 /nfs/dbraw/zinc/72/64/82/387726482.db2.gz FZGBKQILTBXVSR-PKIKSRDPSA-N 1 2 209.293 1.311 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC=CCC1 ZINC000564015399 387729039 /nfs/dbraw/zinc/72/90/39/387729039.db2.gz SGIGRFLEPZNQEV-NSHDSACASA-N 1 2 219.288 1.356 20 0 BDADLO Cc1cnc([C@H](C)N(C)Cc2[nH+]ccn2C)o1 ZINC000356988468 387763029 /nfs/dbraw/zinc/76/30/29/387763029.db2.gz QVHABKBYVSBYNX-JTQLQIEISA-N 1 2 234.303 1.910 20 0 BDADLO CO[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493113792 533219506 /nfs/dbraw/zinc/21/95/06/533219506.db2.gz GHQIUQZXZSQYLG-JYLGIWJRSA-N 1 2 249.314 1.497 20 0 BDADLO CN(c1cccc(-n2cc[nH+]c2)n1)[C@H]1CCOC1 ZINC000378194735 387770312 /nfs/dbraw/zinc/77/03/12/387770312.db2.gz NDROGTIKBOIKAB-NSHDSACASA-N 1 2 244.298 1.492 20 0 BDADLO CCCOc1nccnc1NCc1[nH+]ccn1C ZINC000527885392 387770596 /nfs/dbraw/zinc/77/05/96/387770596.db2.gz JISUCYZWGIDHHY-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2ccncc2)n1 ZINC000424146608 387780238 /nfs/dbraw/zinc/78/02/38/387780238.db2.gz WWAKVGGDINJGDR-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO CCc1nnc(CNc2[nH+]cccc2OC)o1 ZINC000527939831 387782215 /nfs/dbraw/zinc/78/22/15/387782215.db2.gz SGALMCYXMUHNSA-UHFFFAOYSA-N 1 2 234.259 1.648 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCn2cc[nH+]c2)[C@@H]1C1CC1 ZINC000527947940 387782502 /nfs/dbraw/zinc/78/25/02/387782502.db2.gz YUSTYBOQDOJNMR-ZMLRMANQSA-N 1 2 233.315 1.291 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000378370320 387782497 /nfs/dbraw/zinc/78/24/97/387782497.db2.gz KXNZJICCHQOEMA-UWVGGRQHSA-N 1 2 237.303 1.119 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2nccnc2C)n1 ZINC000527923525 387792218 /nfs/dbraw/zinc/79/22/18/387792218.db2.gz KDBMQXGNZOPWRE-SNVBAGLBSA-N 1 2 246.318 1.247 20 0 BDADLO CCO[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335101 387804328 /nfs/dbraw/zinc/80/43/28/387804328.db2.gz PDQGQQWYFKJNJN-SECBINFHSA-N 1 2 237.303 1.583 20 0 BDADLO c1ncn([C@@H]2CCC[N@@H+](Cc3cocn3)C2)n1 ZINC000432736613 387811416 /nfs/dbraw/zinc/81/14/16/387811416.db2.gz FMFAIWVMVNBDAX-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO c1ncn([C@@H]2CCC[N@H+](Cc3cocn3)C2)n1 ZINC000432736613 387811421 /nfs/dbraw/zinc/81/14/21/387811421.db2.gz FMFAIWVMVNBDAX-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO Cc1oncc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000128864599 387757724 /nfs/dbraw/zinc/75/77/24/387757724.db2.gz RTSUFUDTTCZBNY-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO COCC1=CCN(c2[nH+]cccc2OC)CC1 ZINC000527967087 387811665 /nfs/dbraw/zinc/81/16/65/387811665.db2.gz PAVPAZXMQFPUJT-UHFFFAOYSA-N 1 2 234.299 1.873 20 0 BDADLO C[NH2+]Cc1noc([C@H]2Cc3ccccc3CN2)n1 ZINC000564084212 387824804 /nfs/dbraw/zinc/82/48/04/387824804.db2.gz SBASWLSYQGKDQQ-LLVKDONJSA-N 1 2 244.298 1.176 20 0 BDADLO Cc1cc(CNC(=O)NCC2COC2)cc(C)[nH+]1 ZINC000528020164 387827214 /nfs/dbraw/zinc/82/72/14/387827214.db2.gz FJXYTQQUTKPRNS-UHFFFAOYSA-N 1 2 249.314 1.144 20 0 BDADLO CCOCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000442730626 387831041 /nfs/dbraw/zinc/83/10/41/387831041.db2.gz ONWNLKRPIYCTRL-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](OC)[C@@H](C)C1 ZINC000528030725 387834386 /nfs/dbraw/zinc/83/43/86/387834386.db2.gz LJBNTHREZUCGFB-WDEREUQCSA-N 1 2 236.315 1.951 20 0 BDADLO CC[C@H](NC(=O)c1cnccc1C)c1[nH]cc[nH+]1 ZINC000442809678 387845281 /nfs/dbraw/zinc/84/52/81/387845281.db2.gz LCYOGIVSHVRTPC-NSHDSACASA-N 1 2 244.298 1.994 20 0 BDADLO CC[C@@H](C(=O)OC)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442886111 387857046 /nfs/dbraw/zinc/85/70/46/387857046.db2.gz PZQACZYBRHBSGN-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@H](C)C1 ZINC000452568423 387860710 /nfs/dbraw/zinc/86/07/10/387860710.db2.gz ARBFJFUOOPRNOF-WDEREUQCSA-N 1 2 235.331 1.955 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000423052829 387861028 /nfs/dbraw/zinc/86/10/28/387861028.db2.gz QNJFQIQNBGKKNW-VIFPVBQESA-N 1 2 241.360 1.647 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423058685 387864739 /nfs/dbraw/zinc/86/47/39/387864739.db2.gz KCOSGSTVHLPFBU-OYNCUSHFSA-N 1 2 241.360 1.694 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)no1 ZINC000193859539 387866322 /nfs/dbraw/zinc/86/63/22/387866322.db2.gz GDXWZNDDZYOXHF-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)no1 ZINC000193859539 387866327 /nfs/dbraw/zinc/86/63/27/387866327.db2.gz GDXWZNDDZYOXHF-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO COC(=O)CN(C)Cc1c[nH+]c2cccc(C)n12 ZINC000507309089 387878957 /nfs/dbraw/zinc/87/89/57/387878957.db2.gz LSQXNUCZJBZXLL-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO c1nc(N2CCCCC2)cc(NCC2COC2)[nH+]1 ZINC000528226399 387881954 /nfs/dbraw/zinc/88/19/54/387881954.db2.gz QVULXHCMBQQRQI-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO c1nc(NCC2COC2)cc(N2CCCCC2)[nH+]1 ZINC000528226399 387881960 /nfs/dbraw/zinc/88/19/60/387881960.db2.gz QVULXHCMBQQRQI-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CCCC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000290119142 387884338 /nfs/dbraw/zinc/88/43/38/387884338.db2.gz YNKYMZMQISOZIS-UHFFFAOYSA-N 1 2 225.317 1.829 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2coc(S(C)(=O)=O)c2)C1 ZINC000528362031 387910454 /nfs/dbraw/zinc/91/04/54/387910454.db2.gz CLKKEGATLXQDGV-SECBINFHSA-N 1 2 243.328 1.525 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2coc(S(C)(=O)=O)c2)C1 ZINC000528362031 387910459 /nfs/dbraw/zinc/91/04/59/387910459.db2.gz CLKKEGATLXQDGV-SECBINFHSA-N 1 2 243.328 1.525 20 0 BDADLO CCO[C@H](COCc1[nH]cc[nH+]1)C1CC1 ZINC000629167280 387912489 /nfs/dbraw/zinc/91/24/89/387912489.db2.gz FTAQTJBSWPFSKD-SNVBAGLBSA-N 1 2 210.277 1.741 20 0 BDADLO C[C@H](C(N)=O)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702712 387913631 /nfs/dbraw/zinc/91/36/31/387913631.db2.gz JFKHNEYGJKCFQK-SSDOTTSWSA-N 1 2 228.242 1.270 20 0 BDADLO C[C@H](C(N)=O)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702712 387913638 /nfs/dbraw/zinc/91/36/38/387913638.db2.gz JFKHNEYGJKCFQK-SSDOTTSWSA-N 1 2 228.242 1.270 20 0 BDADLO Cc1nc(N2CC[C@H](O)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC000445610751 387952704 /nfs/dbraw/zinc/95/27/04/387952704.db2.gz RQLSJUPUCSVGDF-LBPRGKRZSA-N 1 2 249.358 1.999 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000245465569 387947241 /nfs/dbraw/zinc/94/72/41/387947241.db2.gz ISBOZUXVXVTFTL-VXGBXAGGSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000245465569 387947246 /nfs/dbraw/zinc/94/72/46/387947246.db2.gz ISBOZUXVXVTFTL-VXGBXAGGSA-N 1 2 242.363 1.353 20 0 BDADLO COC[C@H]([NH2+]Cc1ccn(C)n1)c1ccccc1 ZINC000226652385 387949895 /nfs/dbraw/zinc/94/98/95/387949895.db2.gz DDRUYRHMBAHPOW-AWEZNQCLSA-N 1 2 245.326 1.897 20 0 BDADLO Cc1cc(N(C)[C@H]2CC[C@H](O)CC2)nc[nH+]1 ZINC000438896256 387962963 /nfs/dbraw/zinc/96/29/63/387962963.db2.gz AIOYHUWLFFPGIZ-XYPYZODXSA-N 1 2 221.304 1.525 20 0 BDADLO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ncccc1O ZINC000514691403 387963566 /nfs/dbraw/zinc/96/35/66/387963566.db2.gz HUASLTCETLLBAB-ZDUSSCGKSA-N 1 2 249.358 1.559 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ncccc1O ZINC000514691403 387963570 /nfs/dbraw/zinc/96/35/70/387963570.db2.gz HUASLTCETLLBAB-ZDUSSCGKSA-N 1 2 249.358 1.559 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427250 387970684 /nfs/dbraw/zinc/97/06/84/387970684.db2.gz VILZTYMRZMHVBB-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427250 387970690 /nfs/dbraw/zinc/97/06/90/387970690.db2.gz VILZTYMRZMHVBB-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cc(NCc2noc3ccccc23)nc[nH+]1 ZINC000439130575 387981501 /nfs/dbraw/zinc/98/15/01/387981501.db2.gz TXYUEMJLYBPGLK-UHFFFAOYSA-N 1 2 240.266 1.960 20 0 BDADLO COC[C@@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000445848219 387975293 /nfs/dbraw/zinc/97/52/93/387975293.db2.gz IOBDAWKPNCDZHH-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000446066794 387991288 /nfs/dbraw/zinc/99/12/88/387991288.db2.gz ABIAQXBHOFFAPI-UHFFFAOYSA-N 1 2 239.344 1.027 20 0 BDADLO CCCNC(=O)C[N@H+]1CCc2ncsc2C1 ZINC000446066794 387991295 /nfs/dbraw/zinc/99/12/95/387991295.db2.gz ABIAQXBHOFFAPI-UHFFFAOYSA-N 1 2 239.344 1.027 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446072447 387994334 /nfs/dbraw/zinc/99/43/34/387994334.db2.gz MMKHDCCFONSCSB-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446072447 387994337 /nfs/dbraw/zinc/99/43/37/387994337.db2.gz MMKHDCCFONSCSB-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO C[N@H+](Cc1ncc(C2CC2)o1)CC1(CO)CC1 ZINC000446073950 387994387 /nfs/dbraw/zinc/99/43/87/387994387.db2.gz VCCINPZKEAOGHU-UHFFFAOYSA-N 1 2 236.315 1.756 20 0 BDADLO C[N@@H+](Cc1ncc(C2CC2)o1)CC1(CO)CC1 ZINC000446073950 387994393 /nfs/dbraw/zinc/99/43/93/387994393.db2.gz VCCINPZKEAOGHU-UHFFFAOYSA-N 1 2 236.315 1.756 20 0 BDADLO CCCCc1noc([C@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000245793176 387984237 /nfs/dbraw/zinc/98/42/37/387984237.db2.gz OETGGEOAHLYSSX-UWVGGRQHSA-N 1 2 241.335 1.786 20 0 BDADLO CCCCc1noc([C@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000245793176 387984243 /nfs/dbraw/zinc/98/42/43/387984243.db2.gz OETGGEOAHLYSSX-UWVGGRQHSA-N 1 2 241.335 1.786 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446081701 387997789 /nfs/dbraw/zinc/99/77/89/387997789.db2.gz WPWYGQXZIBSTQS-QJPTWQEYSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446081701 387997792 /nfs/dbraw/zinc/99/77/92/387997792.db2.gz WPWYGQXZIBSTQS-QJPTWQEYSA-N 1 2 242.363 1.256 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCOC(C)C)C1CC1 ZINC000309659595 388001242 /nfs/dbraw/zinc/00/12/42/388001242.db2.gz QXJPBROKWWSMTI-LBPRGKRZSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)s2)CCCO1 ZINC000439487063 388004560 /nfs/dbraw/zinc/00/45/60/388004560.db2.gz PDVBXOPDRPGENO-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)s2)CCCO1 ZINC000439487063 388004563 /nfs/dbraw/zinc/00/45/63/388004563.db2.gz PDVBXOPDRPGENO-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CCOCC[N@H+](CC)Cc1nnc(C2CC2)o1 ZINC000107791853 388007823 /nfs/dbraw/zinc/00/78/23/388007823.db2.gz SHKPPRXTVHOQPL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nnc(C2CC2)o1 ZINC000107791853 388007828 /nfs/dbraw/zinc/00/78/28/388007828.db2.gz SHKPPRXTVHOQPL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)c1noc(C)n1)C(C)C ZINC000309666783 388008532 /nfs/dbraw/zinc/00/85/32/388008532.db2.gz UMEVQMWLKYLBKC-PSASIEDQSA-N 1 2 227.308 1.700 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOCC(C)C)o1 ZINC000309677080 388008553 /nfs/dbraw/zinc/00/85/53/388008553.db2.gz MDISTOVOZDFZKA-VIFPVBQESA-N 1 2 227.308 1.701 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccccc2F)c[nH+]1 ZINC000082268197 388021130 /nfs/dbraw/zinc/02/11/30/388021130.db2.gz HLUDEZKCPWDODA-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000440270109 388036566 /nfs/dbraw/zinc/03/65/66/388036566.db2.gz SEMHROXYJTXBEM-IJLUTSLNSA-N 1 2 247.342 1.560 20 0 BDADLO Cc1nc(N(C)CCC2CC2)nc(N(C)C)[nH+]1 ZINC000446889301 388044542 /nfs/dbraw/zinc/04/45/42/388044542.db2.gz VFEOCIHSGHLNNV-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)CCC2CC2)[nH+]1 ZINC000446889301 388044545 /nfs/dbraw/zinc/04/45/45/388044545.db2.gz VFEOCIHSGHLNNV-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO CO[C@@]1(CNc2cccc[nH+]2)CCOC1 ZINC000156876432 388043423 /nfs/dbraw/zinc/04/34/23/388043423.db2.gz GKOUJTYHGYHGLB-LLVKDONJSA-N 1 2 208.261 1.299 20 0 BDADLO CC(C)(C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440113188 388031930 /nfs/dbraw/zinc/03/19/30/388031930.db2.gz WACQXMYZNFVEAN-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000440537724 388052878 /nfs/dbraw/zinc/05/28/78/388052878.db2.gz ZDXMBZPUSKOLOL-BHDSKKPTSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000440537724 388052881 /nfs/dbraw/zinc/05/28/81/388052881.db2.gz ZDXMBZPUSKOLOL-BHDSKKPTSA-N 1 2 221.341 1.577 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccccc1O ZINC000083663537 388058219 /nfs/dbraw/zinc/05/82/19/388058219.db2.gz NZUBQIKNPWGLCT-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO CCC1(C)CC[NH+](Cc2nnn(C)n2)CC1 ZINC000440689490 388067933 /nfs/dbraw/zinc/06/79/33/388067933.db2.gz AVNHVOYFCROMRW-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2C)o1 ZINC000083970715 388068135 /nfs/dbraw/zinc/06/81/35/388068135.db2.gz QXHCYXYDGGWEFP-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000440702313 388070702 /nfs/dbraw/zinc/07/07/02/388070702.db2.gz DKLUFNWDGPEWHI-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO CC[C@H](F)C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000440702313 388070705 /nfs/dbraw/zinc/07/07/05/388070705.db2.gz DKLUFNWDGPEWHI-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc(Cl)ccn1 ZINC000084081063 388070938 /nfs/dbraw/zinc/07/09/38/388070938.db2.gz URYZRMZMOMPVAA-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc(Cl)ccn1 ZINC000084081063 388070942 /nfs/dbraw/zinc/07/09/42/388070942.db2.gz URYZRMZMOMPVAA-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1csc(C)n1)C(=O)NC ZINC000453409196 388075479 /nfs/dbraw/zinc/07/54/79/388075479.db2.gz QXXFJPMXDDBKQI-CBAPKCEASA-N 1 2 241.360 1.627 20 0 BDADLO c1c[nH]c([C@@H]([NH2+][C@@H]2CCOC2)c2ccccn2)n1 ZINC000447574792 388079414 /nfs/dbraw/zinc/07/94/14/388079414.db2.gz OMYRRGHBVWRZMM-PWSUYJOCSA-N 1 2 244.298 1.273 20 0 BDADLO c1c[nH+]c([C@@H](N[C@@H]2CCOC2)c2ccccn2)[nH]1 ZINC000447574792 388079417 /nfs/dbraw/zinc/07/94/17/388079417.db2.gz OMYRRGHBVWRZMM-PWSUYJOCSA-N 1 2 244.298 1.273 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000085184601 388084450 /nfs/dbraw/zinc/08/44/50/388084450.db2.gz JRLSMIQSXKWSFN-CQSZACIVSA-N 1 2 249.358 1.955 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000085184601 388084453 /nfs/dbraw/zinc/08/44/53/388084453.db2.gz JRLSMIQSXKWSFN-CQSZACIVSA-N 1 2 249.358 1.955 20 0 BDADLO CC/C=C\CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000454345366 388115156 /nfs/dbraw/zinc/11/51/56/388115156.db2.gz WCEWKKLMUCRPGD-WYGGZMRJSA-N 1 2 236.319 1.537 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447827154 388095690 /nfs/dbraw/zinc/09/56/90/388095690.db2.gz NABBXKKVPAPHDN-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447827154 388095694 /nfs/dbraw/zinc/09/56/94/388095694.db2.gz NABBXKKVPAPHDN-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447846115 388097705 /nfs/dbraw/zinc/09/77/05/388097705.db2.gz XHAXENKIGANOTI-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447846115 388097708 /nfs/dbraw/zinc/09/77/08/388097708.db2.gz XHAXENKIGANOTI-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](F)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000440499042 388045316 /nfs/dbraw/zinc/04/53/16/388045316.db2.gz WFGDIBGRIGLYAB-LLVKDONJSA-N 1 2 240.326 1.723 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000440499042 388045319 /nfs/dbraw/zinc/04/53/19/388045319.db2.gz WFGDIBGRIGLYAB-LLVKDONJSA-N 1 2 240.326 1.723 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000440512764 388049695 /nfs/dbraw/zinc/04/96/95/388049695.db2.gz IONLZUMBLHVHFM-GARJFASQSA-N 1 2 247.310 1.387 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1c1cc(C)[nH+]cn1 ZINC000447063061 388049750 /nfs/dbraw/zinc/04/97/50/388049750.db2.gz HWKLBLHQTCRZSN-WDEREUQCSA-N 1 2 221.304 1.789 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000440512764 388049700 /nfs/dbraw/zinc/04/97/00/388049700.db2.gz IONLZUMBLHVHFM-GARJFASQSA-N 1 2 247.310 1.387 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000440519416 388050583 /nfs/dbraw/zinc/05/05/83/388050583.db2.gz MFVVKYKIQXOKOH-STQMWFEESA-N 1 2 245.338 1.862 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000440519416 388050587 /nfs/dbraw/zinc/05/05/87/388050587.db2.gz MFVVKYKIQXOKOH-STQMWFEESA-N 1 2 245.338 1.862 20 0 BDADLO Cc1nocc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000646162291 388158491 /nfs/dbraw/zinc/15/84/91/388158491.db2.gz MJFYPXAXYRQJLZ-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1nocc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000646162291 388158493 /nfs/dbraw/zinc/15/84/93/388158493.db2.gz MJFYPXAXYRQJLZ-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2CC)CCO1 ZINC000195514401 388165254 /nfs/dbraw/zinc/16/52/54/388165254.db2.gz RNHKGFBXJICPOZ-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO Cc1ncsc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260830 388172010 /nfs/dbraw/zinc/17/20/10/388172010.db2.gz LHRBBFXCNKZGKA-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO Cc1ncsc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260830 388172011 /nfs/dbraw/zinc/17/20/11/388172011.db2.gz LHRBBFXCNKZGKA-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO O=C(Cc1ccsc1)N1CCc2[nH]c[nH+]c2C1 ZINC000646261605 388172841 /nfs/dbraw/zinc/17/28/41/388172841.db2.gz PYBXTTJZAXYPHM-UHFFFAOYSA-N 1 2 247.323 1.599 20 0 BDADLO O=C(Cc1ccsc1)N1CCc2[nH+]c[nH]c2C1 ZINC000646261605 388172842 /nfs/dbraw/zinc/17/28/42/388172842.db2.gz PYBXTTJZAXYPHM-UHFFFAOYSA-N 1 2 247.323 1.599 20 0 BDADLO COC[C@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OC ZINC000488529080 388185068 /nfs/dbraw/zinc/18/50/68/388185068.db2.gz BRZYMQDSZIVDPB-NSHDSACASA-N 1 2 241.331 1.487 20 0 BDADLO CCOC(=O)c1nn(C)cc1C[NH+]1CC2(CC2)C1 ZINC000449371493 388185491 /nfs/dbraw/zinc/18/54/91/388185491.db2.gz VPQIZGSJPDSXDO-UHFFFAOYSA-N 1 2 249.314 1.193 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000448956411 388122910 /nfs/dbraw/zinc/12/29/10/388122910.db2.gz ZWGAKJSQDWMZRN-GXFFZTMASA-N 1 2 235.331 1.895 20 0 BDADLO C[N@H+](CCC(C)(C)C)Cc1nnnn1C1CC1 ZINC000646027114 388127004 /nfs/dbraw/zinc/12/70/04/388127004.db2.gz GGVWBRLTNHILED-UHFFFAOYSA-N 1 2 237.351 1.876 20 0 BDADLO C[N@@H+](CCC(C)(C)C)Cc1nnnn1C1CC1 ZINC000646027114 388127006 /nfs/dbraw/zinc/12/70/06/388127006.db2.gz GGVWBRLTNHILED-UHFFFAOYSA-N 1 2 237.351 1.876 20 0 BDADLO FCC(CF)NCc1cccc2[nH+]ccn21 ZINC000449380680 388188716 /nfs/dbraw/zinc/18/87/16/388188716.db2.gz OEQFYBARAJEBNW-UHFFFAOYSA-N 1 2 225.242 1.732 20 0 BDADLO Cc1cc(NC(=O)NCC[C@@H](C)F)cc[nH+]1 ZINC000455051900 388146708 /nfs/dbraw/zinc/14/67/08/388146708.db2.gz YPWRLJFZVJVCEP-MRVPVSSYSA-N 1 2 225.267 1.682 20 0 BDADLO Cc1cc(NC(=O)NC(CF)CF)cc[nH+]1 ZINC000455048647 388146715 /nfs/dbraw/zinc/14/67/15/388146715.db2.gz VSXQJLDZMBXYNU-UHFFFAOYSA-N 1 2 229.230 1.241 20 0 BDADLO CCN1CCCN(c2cc[nH+]cc2F)CC1=O ZINC000641526966 388151370 /nfs/dbraw/zinc/15/13/70/388151370.db2.gz ZHNOISDYEMGJRY-UHFFFAOYSA-N 1 2 237.278 1.279 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](OC(C)C)C2)n1 ZINC000645944561 388256613 /nfs/dbraw/zinc/25/66/13/388256613.db2.gz BSLIIJLJDFYDMC-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](OC(C)C)C2)n1 ZINC000645944561 388256614 /nfs/dbraw/zinc/25/66/14/388256614.db2.gz BSLIIJLJDFYDMC-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000449398852 388194174 /nfs/dbraw/zinc/19/41/74/388194174.db2.gz ZEOWDSTXWVPEPK-SECBINFHSA-N 1 2 213.252 1.970 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000449398852 388194178 /nfs/dbraw/zinc/19/41/78/388194178.db2.gz ZEOWDSTXWVPEPK-SECBINFHSA-N 1 2 213.252 1.970 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccoc1 ZINC000456374206 388197590 /nfs/dbraw/zinc/19/75/90/388197590.db2.gz GBXHFDNLHDWHNP-SECBINFHSA-N 1 2 233.271 1.987 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)C(C)(F)F ZINC000449412089 388197877 /nfs/dbraw/zinc/19/78/77/388197877.db2.gz DRGDRWYOYFVNLX-MRVPVSSYSA-N 1 2 244.289 1.676 20 0 BDADLO CC[C@@H]1CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000489039654 388203090 /nfs/dbraw/zinc/20/30/90/388203090.db2.gz JWJOEZGLISFVKG-SECBINFHSA-N 1 2 221.308 1.235 20 0 BDADLO CC[C@@H]1CCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000489039654 388203092 /nfs/dbraw/zinc/20/30/92/388203092.db2.gz JWJOEZGLISFVKG-SECBINFHSA-N 1 2 221.308 1.235 20 0 BDADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CC1(C)C ZINC000489470694 388217816 /nfs/dbraw/zinc/21/78/16/388217816.db2.gz DCGOVYMSBDEEAA-SNVBAGLBSA-N 1 2 246.314 1.253 20 0 BDADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CC1(C)C ZINC000489470694 388217817 /nfs/dbraw/zinc/21/78/17/388217817.db2.gz DCGOVYMSBDEEAA-SNVBAGLBSA-N 1 2 246.314 1.253 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](O)[C@H](C)C2)[nH+]1 ZINC000489891245 388227529 /nfs/dbraw/zinc/22/75/29/388227529.db2.gz FJUMFFAQKKENRZ-LDYMZIIASA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](O)[C@@H](C)C2)[nH+]1 ZINC000489891243 388227557 /nfs/dbraw/zinc/22/75/57/388227557.db2.gz FJUMFFAQKKENRZ-KWQFWETISA-N 1 2 246.314 1.473 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456863586 388228579 /nfs/dbraw/zinc/22/85/79/388228579.db2.gz RGXUQIKXXJPPST-STQMWFEESA-N 1 2 248.326 1.740 20 0 BDADLO Cc1nc(N(C)C2CCC2)nc(N(C)C)[nH+]1 ZINC000489962669 388229901 /nfs/dbraw/zinc/22/99/01/388229901.db2.gz IIDJUWLDZYPUJW-UHFFFAOYSA-N 1 2 221.308 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)C2CCC2)[nH+]1 ZINC000489962669 388229904 /nfs/dbraw/zinc/22/99/04/388229904.db2.gz IIDJUWLDZYPUJW-UHFFFAOYSA-N 1 2 221.308 1.235 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449551507 388230557 /nfs/dbraw/zinc/23/05/57/388230557.db2.gz GQAPUJSXAGFAEZ-MBNYWOFBSA-N 1 2 249.358 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449551507 388230560 /nfs/dbraw/zinc/23/05/60/388230560.db2.gz GQAPUJSXAGFAEZ-MBNYWOFBSA-N 1 2 249.358 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449551506 388230851 /nfs/dbraw/zinc/23/08/51/388230851.db2.gz GQAPUJSXAGFAEZ-DYEKYZERSA-N 1 2 249.358 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449551506 388230853 /nfs/dbraw/zinc/23/08/53/388230853.db2.gz GQAPUJSXAGFAEZ-DYEKYZERSA-N 1 2 249.358 1.701 20 0 BDADLO COCC[N@H+](Cc1cc(C)on1)[C@@H]1CCOC1 ZINC000490048670 388232055 /nfs/dbraw/zinc/23/20/55/388232055.db2.gz LWYZNAVLRFRIGS-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[N@@H+](Cc1cc(C)on1)[C@@H]1CCOC1 ZINC000490048670 388232058 /nfs/dbraw/zinc/23/20/58/388232058.db2.gz LWYZNAVLRFRIGS-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CC[C@]1(O)CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000490074174 388233153 /nfs/dbraw/zinc/23/31/53/388233153.db2.gz SQIGQSPFDCHJDP-ZDUSSCGKSA-N 1 2 235.331 1.951 20 0 BDADLO CC[C@H]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000490078466 388234076 /nfs/dbraw/zinc/23/40/76/388234076.db2.gz HIPSXWCBMXNLMK-JTQLQIEISA-N 1 2 235.335 1.482 20 0 BDADLO CC[C@H]1CCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000490078466 388234078 /nfs/dbraw/zinc/23/40/78/388234078.db2.gz HIPSXWCBMXNLMK-JTQLQIEISA-N 1 2 235.335 1.482 20 0 BDADLO CCCC1(CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000490120583 388235658 /nfs/dbraw/zinc/23/56/58/388235658.db2.gz QGWGRRIPBBFQQA-UHFFFAOYSA-N 1 2 249.362 1.660 20 0 BDADLO CCCC1(CNc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000490120583 388235660 /nfs/dbraw/zinc/23/56/60/388235660.db2.gz QGWGRRIPBBFQQA-UHFFFAOYSA-N 1 2 249.362 1.660 20 0 BDADLO CCn1nncc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000459370469 388242227 /nfs/dbraw/zinc/24/22/27/388242227.db2.gz IPKUXJMMBBJULN-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1nncc1C[N@H+]1CCOC2(CCC2)C1 ZINC000459370469 388242229 /nfs/dbraw/zinc/24/22/29/388242229.db2.gz IPKUXJMMBBJULN-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOCC1CCCC1 ZINC000459446229 388244771 /nfs/dbraw/zinc/24/47/71/388244771.db2.gz PATIWSJDHLQEFD-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOCC1CCCC1 ZINC000459446229 388244772 /nfs/dbraw/zinc/24/47/72/388244772.db2.gz PATIWSJDHLQEFD-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCOCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451581253 388283065 /nfs/dbraw/zinc/28/30/65/388283065.db2.gz BYHBFJRSGXIMHS-NSHDSACASA-N 1 2 231.336 1.589 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2CCC[C@H]2OC)no1 ZINC000451623200 388285598 /nfs/dbraw/zinc/28/55/98/388285598.db2.gz KACDMICBZOZACH-NXEZZACHSA-N 1 2 239.319 1.679 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1cccnc1 ZINC000491448765 388295276 /nfs/dbraw/zinc/29/52/76/388295276.db2.gz KSMMWDZRBHWWRR-SNAWJCMRSA-N 1 2 242.282 1.145 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000451838278 388299444 /nfs/dbraw/zinc/29/94/44/388299444.db2.gz IQJZIOXLBBSJLM-IHRRRGAJSA-N 1 2 240.391 1.970 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\C(C)(C)C ZINC000491895348 388326618 /nfs/dbraw/zinc/32/66/18/388326618.db2.gz OKSVYLBVUREZMP-WAYWQWQTSA-N 1 2 221.304 1.639 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C/c1ccc[nH]1 ZINC000491990242 388330637 /nfs/dbraw/zinc/33/06/37/388330637.db2.gz MFHBNSCTSXSBSS-SNAWJCMRSA-N 1 2 244.298 1.120 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)NCc1[nH]cc[nH+]1 ZINC000491990611 388330780 /nfs/dbraw/zinc/33/07/80/388330780.db2.gz NGBNCVDWQSHSNX-ARJAWSKDSA-N 1 2 216.244 1.067 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@H]1CCOC1 ZINC000492404779 388343858 /nfs/dbraw/zinc/34/38/58/388343858.db2.gz AGUUXYZBBCGQDX-WYGGZMRJSA-N 1 2 249.314 1.164 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)OCC1CC1)c1[nH]cc[nH+]1 ZINC000646365983 388345744 /nfs/dbraw/zinc/34/57/44/388345744.db2.gz RGFPRJKXQSOVHF-RKDXNWHRSA-N 1 2 237.303 1.402 20 0 BDADLO CC[C@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000234039498 388352640 /nfs/dbraw/zinc/35/26/40/388352640.db2.gz QZCHUJHMKDKJOE-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO CC[C@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000234039498 388352643 /nfs/dbraw/zinc/35/26/43/388352643.db2.gz QZCHUJHMKDKJOE-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC(C)(F)F ZINC000277194804 388353799 /nfs/dbraw/zinc/35/37/99/388353799.db2.gz WGVUTWAHQKPYAS-UHFFFAOYSA-N 1 2 217.219 1.380 20 0 BDADLO C[C@@H](CCCO)Nc1nc[nH+]c(N)c1Cl ZINC000235069600 388365549 /nfs/dbraw/zinc/36/55/49/388365549.db2.gz YFWGFGGFILBLLG-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO C[C@@H](CCCO)Nc1[nH+]cnc(N)c1Cl ZINC000235069600 388365552 /nfs/dbraw/zinc/36/55/52/388365552.db2.gz YFWGFGGFILBLLG-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO CO[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC000292918667 388383834 /nfs/dbraw/zinc/38/38/34/388383834.db2.gz YCSXWWRNBXUYIM-SNVBAGLBSA-N 1 2 207.277 1.622 20 0 BDADLO CC[C@H](CC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000236925910 388386858 /nfs/dbraw/zinc/38/68/58/388386858.db2.gz RLGWIICHBMGBMN-MNOVXSKESA-N 1 2 212.337 1.618 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000520634270 256676345 /nfs/dbraw/zinc/67/63/45/256676345.db2.gz NTHGJOSJWOPCPM-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO COC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000648815319 388402655 /nfs/dbraw/zinc/40/26/55/388402655.db2.gz MEEDVEMBGZVCKP-UHFFFAOYSA-N 1 2 249.314 1.295 20 0 BDADLO COC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000648815319 388402658 /nfs/dbraw/zinc/40/26/58/388402658.db2.gz MEEDVEMBGZVCKP-UHFFFAOYSA-N 1 2 249.314 1.295 20 0 BDADLO O=C(/C=C\C1CCC1)NCCCn1cc[nH+]c1 ZINC000492089275 388334224 /nfs/dbraw/zinc/33/42/24/388334224.db2.gz PPQCNHRBYMCYKQ-WAYWQWQTSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(/C=C\C1CCC1)NCCn1cc[nH+]c1 ZINC000492091506 388334532 /nfs/dbraw/zinc/33/45/32/388334532.db2.gz RTNQIMBMFUITPQ-PLNGDYQASA-N 1 2 219.288 1.356 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C\C1CCOCC1 ZINC000492110811 388335527 /nfs/dbraw/zinc/33/55/27/388335527.db2.gz QDADZGJHUJXTSB-IHWYPQMZSA-N 1 2 249.314 1.317 20 0 BDADLO CCCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492255748 388339374 /nfs/dbraw/zinc/33/93/74/388339374.db2.gz ZXWZNMRLJGFUDU-SREVYHEPSA-N 1 2 221.304 1.833 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000336893614 388439607 /nfs/dbraw/zinc/43/96/07/388439607.db2.gz KUSUXDRSNADZSN-RKDXNWHRSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@@H]([NH2+]CCc1ncccc1C)C(=O)OC ZINC000404942412 388447176 /nfs/dbraw/zinc/44/71/76/388447176.db2.gz SSRUFJYLZQCFFN-LLVKDONJSA-N 1 2 236.315 1.474 20 0 BDADLO CC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000082333576 388463615 /nfs/dbraw/zinc/46/36/15/388463615.db2.gz OTROVZZQIRHVRW-CYBMUJFWSA-N 1 2 246.310 1.922 20 0 BDADLO CC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000082333576 388463618 /nfs/dbraw/zinc/46/36/18/388463618.db2.gz OTROVZZQIRHVRW-CYBMUJFWSA-N 1 2 246.310 1.922 20 0 BDADLO CC[C@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC000176893125 388465644 /nfs/dbraw/zinc/46/56/44/388465644.db2.gz RHZOSVCYAKIIRR-QMMMGPOBSA-N 1 2 219.292 1.598 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1c(C)noc1C ZINC000336711943 388466329 /nfs/dbraw/zinc/46/63/29/388466329.db2.gz SLMLVDLJKUBBII-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1c(C)noc1C ZINC000336711943 388466330 /nfs/dbraw/zinc/46/63/30/388466330.db2.gz SLMLVDLJKUBBII-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO Cc1nocc1C[NH2+]Cc1nccn1C(F)F ZINC000339211697 388481864 /nfs/dbraw/zinc/48/18/64/388481864.db2.gz ZISCKQUMWOLRJJ-UHFFFAOYSA-N 1 2 242.229 1.864 20 0 BDADLO Cc1cccn2cc(CC(=O)NCCF)[nH+]c12 ZINC000573054625 388412082 /nfs/dbraw/zinc/41/20/82/388412082.db2.gz HPHMNOPZORJHNU-UHFFFAOYSA-N 1 2 235.262 1.271 20 0 BDADLO C[C@H]1CC[N@H+](CC[C@@H]2CCNC2=O)CC1(F)F ZINC000573102186 388419725 /nfs/dbraw/zinc/41/97/25/388419725.db2.gz SRETZNZVOWYHFP-UWVGGRQHSA-N 1 2 246.301 1.490 20 0 BDADLO C[C@H]1CC[N@@H+](CC[C@@H]2CCNC2=O)CC1(F)F ZINC000573102186 388419727 /nfs/dbraw/zinc/41/97/27/388419727.db2.gz SRETZNZVOWYHFP-UWVGGRQHSA-N 1 2 246.301 1.490 20 0 BDADLO C[C@@H]1CC[N@H+](CC[C@@H]2CCNC2=O)CC1(F)F ZINC000573102189 388419910 /nfs/dbraw/zinc/41/99/10/388419910.db2.gz SRETZNZVOWYHFP-ZJUUUORDSA-N 1 2 246.301 1.490 20 0 BDADLO C[C@@H]1CC[N@@H+](CC[C@@H]2CCNC2=O)CC1(F)F ZINC000573102189 388419914 /nfs/dbraw/zinc/41/99/14/388419914.db2.gz SRETZNZVOWYHFP-ZJUUUORDSA-N 1 2 246.301 1.490 20 0 BDADLO Nc1[nH+]cnc(NC[C@H](O)C2CCC2)c1Cl ZINC000316698569 388420682 /nfs/dbraw/zinc/42/06/82/388420682.db2.gz DWWGGPVVFQKSEH-ZETCQYMHSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@H](O)C2CCC2)c1Cl ZINC000316698569 388420683 /nfs/dbraw/zinc/42/06/83/388420683.db2.gz DWWGGPVVFQKSEH-ZETCQYMHSA-N 1 2 242.710 1.285 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000573148103 388425400 /nfs/dbraw/zinc/42/54/00/388425400.db2.gz HCEHONWYHXSURD-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO CC(C)=CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573219102 388433451 /nfs/dbraw/zinc/43/34/51/388433451.db2.gz ZHFWORAATTUNGG-JTQLQIEISA-N 1 2 221.304 1.671 20 0 BDADLO CC(C)=CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573219102 388433453 /nfs/dbraw/zinc/43/34/53/388433453.db2.gz ZHFWORAATTUNGG-JTQLQIEISA-N 1 2 221.304 1.671 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528516469 388539667 /nfs/dbraw/zinc/53/96/67/388539667.db2.gz KIQQCCNZCAFSIW-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528516469 388539669 /nfs/dbraw/zinc/53/96/69/388539669.db2.gz KIQQCCNZCAFSIW-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H]1C1CC1 ZINC000528520272 388540911 /nfs/dbraw/zinc/54/09/11/388540911.db2.gz WLWCIKXEODNGKC-KPXOXKRLSA-N 1 2 233.315 1.361 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000528527201 388543611 /nfs/dbraw/zinc/54/36/11/388543611.db2.gz SFKYVTNMWNSFJN-IVIAJXKQSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000528527201 388543614 /nfs/dbraw/zinc/54/36/14/388543614.db2.gz SFKYVTNMWNSFJN-IVIAJXKQSA-N 1 2 219.712 1.211 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncccc1Cl ZINC000528536741 388544988 /nfs/dbraw/zinc/54/49/88/388544988.db2.gz HKLVGJCYPZFGKK-GHMZBOCLSA-N 1 2 242.706 1.238 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000356337507 388548031 /nfs/dbraw/zinc/54/80/31/388548031.db2.gz PVGPHWKJYJGVAB-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)OC ZINC000135243552 388487268 /nfs/dbraw/zinc/48/72/68/388487268.db2.gz JNRFHQGTGCMYKS-WCQYABFASA-N 1 2 243.347 1.877 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)no1 ZINC000341038645 388495543 /nfs/dbraw/zinc/49/55/43/388495543.db2.gz CKPBJFYBCQQOLH-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@H](O)[C@H](CC)C2)no1 ZINC000341038645 388495546 /nfs/dbraw/zinc/49/55/46/388495546.db2.gz CKPBJFYBCQQOLH-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)OC)C[C@H]1OC ZINC000178365448 388499334 /nfs/dbraw/zinc/49/93/34/388499334.db2.gz AVKFSPJIJBNPQF-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO CN(CCC[NH3+])C(=O)c1cc(F)c(O)c(F)c1 ZINC000646782052 388501905 /nfs/dbraw/zinc/50/19/05/388501905.db2.gz BTYGIULWHNNMMR-UHFFFAOYSA-N 1 2 244.241 1.091 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2c2cccnn2)[nH]1 ZINC000548090177 388509788 /nfs/dbraw/zinc/50/97/88/388509788.db2.gz GDIQZHUIHBQDBK-JTQLQIEISA-N 1 2 229.287 1.931 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2)c2nccn21 ZINC000345353959 388512241 /nfs/dbraw/zinc/51/22/41/388512241.db2.gz RLIWHUCAEYLWNC-KOLCDFICSA-N 1 2 231.303 1.412 20 0 BDADLO Cc1c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cnn1C ZINC000345355395 388513594 /nfs/dbraw/zinc/51/35/94/388513594.db2.gz LSMVTJJOMWPDBD-CABZTGNLSA-N 1 2 245.330 1.721 20 0 BDADLO CCCCC(=O)NCCCCn1cc[nH+]c1 ZINC000516712948 388515056 /nfs/dbraw/zinc/51/50/56/388515056.db2.gz JCWYMYWIIKZHBB-UHFFFAOYSA-N 1 2 223.320 1.970 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)c2ccccc21 ZINC000398040519 388515441 /nfs/dbraw/zinc/51/54/41/388515441.db2.gz PTEZVIWHSVBUBR-CABZTGNLSA-N 1 2 243.314 1.548 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)OC ZINC000398046344 388515795 /nfs/dbraw/zinc/51/57/95/388515795.db2.gz BJCGJZQMPPFDKP-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1c[nH+]c[nH]1 ZINC000648954396 388516425 /nfs/dbraw/zinc/51/64/25/388516425.db2.gz JNLOCKCYJVHFKE-ATZCPNFKSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1c[nH]c[nH+]1 ZINC000648954396 388516426 /nfs/dbraw/zinc/51/64/26/388516426.db2.gz JNLOCKCYJVHFKE-ATZCPNFKSA-N 1 2 219.288 1.462 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH+]ccn1C)c1ccco1 ZINC000528410931 388520432 /nfs/dbraw/zinc/52/04/32/388520432.db2.gz IZTRBMDTDSAXFS-JTQLQIEISA-N 1 2 247.298 1.823 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](O)CCC(C)C)C(C)C ZINC000517210777 256818620 /nfs/dbraw/zinc/81/86/20/256818620.db2.gz GKIHYIGIDGVRJJ-NWDGAFQWSA-N 1 2 245.363 1.571 20 0 BDADLO CCN1CCC[N@H+](C/C=C(\C)Cl)CC1=O ZINC000528471077 388530932 /nfs/dbraw/zinc/53/09/32/388530932.db2.gz GYFNIPGCOTXNAI-BJMVGYQFSA-N 1 2 230.739 1.683 20 0 BDADLO CCN1CCC[N@@H+](C/C=C(\C)Cl)CC1=O ZINC000528471077 388530933 /nfs/dbraw/zinc/53/09/33/388530933.db2.gz GYFNIPGCOTXNAI-BJMVGYQFSA-N 1 2 230.739 1.683 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000528474518 388531023 /nfs/dbraw/zinc/53/10/23/388531023.db2.gz PNYWKFMGAWVVMV-NEOSZVFXSA-N 1 2 244.766 1.976 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000528474518 388531025 /nfs/dbraw/zinc/53/10/25/388531025.db2.gz PNYWKFMGAWVVMV-NEOSZVFXSA-N 1 2 244.766 1.976 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCOC[C@H]1C ZINC000136359857 388531757 /nfs/dbraw/zinc/53/17/57/388531757.db2.gz QTGWPSDHBCLVKR-SGUJLRQBSA-N 1 2 249.314 1.164 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000517039899 388534748 /nfs/dbraw/zinc/53/47/48/388534748.db2.gz JADUEKNLPPPKTJ-RKDXNWHRSA-N 1 2 247.302 1.189 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000517039899 388534750 /nfs/dbraw/zinc/53/47/50/388534750.db2.gz JADUEKNLPPPKTJ-RKDXNWHRSA-N 1 2 247.302 1.189 20 0 BDADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)CC(F)F ZINC000648960743 388586668 /nfs/dbraw/zinc/58/66/68/388586668.db2.gz NBNTVLDINMKPHU-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)CC(F)F ZINC000648960743 388586670 /nfs/dbraw/zinc/58/66/70/388586670.db2.gz NBNTVLDINMKPHU-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)CC(F)F ZINC000648960978 388587172 /nfs/dbraw/zinc/58/71/72/388587172.db2.gz RXFWKSLBYQJKPK-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO c1coc([C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)c1 ZINC000649307594 388594189 /nfs/dbraw/zinc/59/41/89/388594189.db2.gz GRAZNFVIMSRVFP-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@H]2CC[N@H+](Cc3c[nH]nn3)C2)c1 ZINC000649307594 388594190 /nfs/dbraw/zinc/59/41/90/388594190.db2.gz GRAZNFVIMSRVFP-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)c1 ZINC000649307594 388594193 /nfs/dbraw/zinc/59/41/93/388594193.db2.gz GRAZNFVIMSRVFP-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@H]2CC[N@H+](Cc3cnn[nH]3)C2)c1 ZINC000649307594 388594194 /nfs/dbraw/zinc/59/41/94/388594194.db2.gz GRAZNFVIMSRVFP-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)c1 ZINC000649307594 388594195 /nfs/dbraw/zinc/59/41/95/388594195.db2.gz GRAZNFVIMSRVFP-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@H]2CC[N@H+](Cc3cn[nH]n3)C2)c1 ZINC000649307594 388594197 /nfs/dbraw/zinc/59/41/97/388594197.db2.gz GRAZNFVIMSRVFP-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000055115475 388596710 /nfs/dbraw/zinc/59/67/10/388596710.db2.gz WBMLWCXSFIVQGR-SNVBAGLBSA-N 1 2 245.282 1.846 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000517546127 388552484 /nfs/dbraw/zinc/55/24/84/388552484.db2.gz UPIWAUWFUFQHCT-NSHDSACASA-N 1 2 237.299 1.042 20 0 BDADLO COC(=O)C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000517546127 388552486 /nfs/dbraw/zinc/55/24/86/388552486.db2.gz UPIWAUWFUFQHCT-NSHDSACASA-N 1 2 237.299 1.042 20 0 BDADLO [NH3+][C@H](C(=O)NCC1CCC1)c1cscn1 ZINC000517554052 388553340 /nfs/dbraw/zinc/55/33/40/388553340.db2.gz DSYFGVPMUFTZTH-VIFPVBQESA-N 1 2 225.317 1.059 20 0 BDADLO OC[C@]1([NH2+]CC(F)F)COc2ccccc2C1 ZINC000528643363 388554537 /nfs/dbraw/zinc/55/45/37/388554537.db2.gz DQOIQSCVVZOTMP-LBPRGKRZSA-N 1 2 243.253 1.207 20 0 BDADLO CC1=C(C(=O)NCc2c[nH+]c(C)nc2N)CCC1 ZINC000517571581 388554797 /nfs/dbraw/zinc/55/47/97/388554797.db2.gz YKTFUIIDVLZEQE-UHFFFAOYSA-N 1 2 246.314 1.314 20 0 BDADLO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1CC(F)F ZINC000528637564 388554952 /nfs/dbraw/zinc/55/49/52/388554952.db2.gz FYHGVMQRQVVZSA-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@H]1CCC2(CCOCC2)C[N@H+]1CC(F)F ZINC000528637564 388554954 /nfs/dbraw/zinc/55/49/54/388554954.db2.gz FYHGVMQRQVVZSA-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO CCCCn1nnnc1C[NH+]1[C@H](C)C[C@H]1C ZINC000548753481 388556087 /nfs/dbraw/zinc/55/60/87/388556087.db2.gz ZZVGABJVUFAEKT-NXEZZACHSA-N 1 2 223.324 1.456 20 0 BDADLO CCOC[C@@H]1C[N@H+](C[C@H](F)CC)CCO1 ZINC000528733002 388559840 /nfs/dbraw/zinc/55/98/40/388559840.db2.gz SAOMUHOAMAHUIS-MNOVXSKESA-N 1 2 219.300 1.472 20 0 BDADLO CCOC[C@@H]1C[N@@H+](C[C@H](F)CC)CCO1 ZINC000528733002 388559844 /nfs/dbraw/zinc/55/98/44/388559844.db2.gz SAOMUHOAMAHUIS-MNOVXSKESA-N 1 2 219.300 1.472 20 0 BDADLO CCOC[C@@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000528723634 388562178 /nfs/dbraw/zinc/56/21/78/388562178.db2.gz JWEFZALXLRUNCB-FSIBCCDJSA-N 1 2 219.712 1.476 20 0 BDADLO CCOC[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000528723634 388562182 /nfs/dbraw/zinc/56/21/82/388562182.db2.gz JWEFZALXLRUNCB-FSIBCCDJSA-N 1 2 219.712 1.476 20 0 BDADLO Cc1[nH]nc(NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000548766820 388562534 /nfs/dbraw/zinc/56/25/34/388562534.db2.gz XXCYLPJVKXAFOL-UHFFFAOYSA-N 1 2 233.275 1.321 20 0 BDADLO Cc1[nH]nc(NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000548766820 388562536 /nfs/dbraw/zinc/56/25/36/388562536.db2.gz XXCYLPJVKXAFOL-UHFFFAOYSA-N 1 2 233.275 1.321 20 0 BDADLO CCOC[C@H]1C[N@H+](C[C@H](F)CC)CCO1 ZINC000528733001 388563357 /nfs/dbraw/zinc/56/33/57/388563357.db2.gz SAOMUHOAMAHUIS-GHMZBOCLSA-N 1 2 219.300 1.472 20 0 BDADLO CCOC[C@H]1C[N@@H+](C[C@H](F)CC)CCO1 ZINC000528733001 388563358 /nfs/dbraw/zinc/56/33/58/388563358.db2.gz SAOMUHOAMAHUIS-GHMZBOCLSA-N 1 2 219.300 1.472 20 0 BDADLO COCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000521257609 388566644 /nfs/dbraw/zinc/56/66/44/388566644.db2.gz MRUMQEHMECIFMY-UHFFFAOYSA-N 1 2 225.292 1.106 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ncnn1C ZINC000528764466 388569350 /nfs/dbraw/zinc/56/93/50/388569350.db2.gz FMLNRSJXBPJSBC-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ncnn1C ZINC000528764466 388569354 /nfs/dbraw/zinc/56/93/54/388569354.db2.gz FMLNRSJXBPJSBC-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cn(C)nn1 ZINC000528772773 388570916 /nfs/dbraw/zinc/57/09/16/388570916.db2.gz NGSKRYFZJCCWSN-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cn(C)nn1 ZINC000528772773 388570918 /nfs/dbraw/zinc/57/09/18/388570918.db2.gz NGSKRYFZJCCWSN-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO CNC(=O)[C@@H]([NH2+]Cc1nc(C)c(C)o1)C(C)C ZINC000183678597 388571157 /nfs/dbraw/zinc/57/11/57/388571157.db2.gz DYWMGDORPNEYFF-NSHDSACASA-N 1 2 239.319 1.152 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000248071774 388672934 /nfs/dbraw/zinc/67/29/34/388672934.db2.gz QPRBNFVOFXBDFQ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000248071774 388672937 /nfs/dbraw/zinc/67/29/37/388672937.db2.gz QPRBNFVOFXBDFQ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H](C)C(C)C)c[nH+]1 ZINC000552189100 388678480 /nfs/dbraw/zinc/67/84/80/388678480.db2.gz KRBIFOUFXCOUOR-QMMMGPOBSA-N 1 2 236.319 1.106 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC000248502477 388682158 /nfs/dbraw/zinc/68/21/58/388682158.db2.gz UHQHQGKYZWAAJU-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC000248502477 388682160 /nfs/dbraw/zinc/68/21/60/388682160.db2.gz UHQHQGKYZWAAJU-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)C(F)(F)F ZINC000521643917 388621401 /nfs/dbraw/zinc/62/14/01/388621401.db2.gz SKOAFJDTMFYCQG-SSDOTTSWSA-N 1 2 249.236 1.718 20 0 BDADLO c1nnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000521785120 388627814 /nfs/dbraw/zinc/62/78/14/388627814.db2.gz ODHJYXXVZDJBNA-SNVBAGLBSA-N 1 2 248.311 1.591 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)NCCCn1cc[nH+]c1 ZINC000189513955 388636154 /nfs/dbraw/zinc/63/61/54/388636154.db2.gz RTMSBRJPMFNGHK-SNAWJCMRSA-N 1 2 244.298 1.431 20 0 BDADLO CCC[C@@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000189767294 388642818 /nfs/dbraw/zinc/64/28/18/388642818.db2.gz LPJYUBRNAOKHND-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO CCC[C@@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000189767294 388642820 /nfs/dbraw/zinc/64/28/20/388642820.db2.gz LPJYUBRNAOKHND-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)(F)F ZINC000328442193 388643825 /nfs/dbraw/zinc/64/38/25/388643825.db2.gz AZEMQPAOSYZPAH-ZETCQYMHSA-N 1 2 231.246 1.360 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC1CCCC1 ZINC000620409565 388646910 /nfs/dbraw/zinc/64/69/10/388646910.db2.gz YDTNWPGLMOMICV-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)[C@@H](C)CO1 ZINC000246660799 388646969 /nfs/dbraw/zinc/64/69/69/388646969.db2.gz JAUIESDKLYGDFQ-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)[C@@H](C)CO1 ZINC000246660799 388646971 /nfs/dbraw/zinc/64/69/71/388646971.db2.gz JAUIESDKLYGDFQ-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)C(F)(F)F ZINC000530345114 388650415 /nfs/dbraw/zinc/65/04/15/388650415.db2.gz LFPKNPNNYQAQTO-QMMMGPOBSA-N 1 2 249.236 1.420 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCCF ZINC000551975463 388650642 /nfs/dbraw/zinc/65/06/42/388650642.db2.gz XPTNQUYVLXNBGV-JTQLQIEISA-N 1 2 249.351 1.717 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCCF ZINC000551975463 388650645 /nfs/dbraw/zinc/65/06/45/388650645.db2.gz XPTNQUYVLXNBGV-JTQLQIEISA-N 1 2 249.351 1.717 20 0 BDADLO C[C@H](CCc1ccco1)[NH2+]Cc1cn[nH]n1 ZINC000398296188 388685751 /nfs/dbraw/zinc/68/57/51/388685751.db2.gz JKLPUSJOLXONLY-SECBINFHSA-N 1 2 220.276 1.509 20 0 BDADLO Cc1nc(N)c(CNC(=O)c2ccsc2)c[nH+]1 ZINC000552018605 388659750 /nfs/dbraw/zinc/65/97/50/388659750.db2.gz ITNRBYXFGZECPP-UHFFFAOYSA-N 1 2 248.311 1.189 20 0 BDADLO Cc1ncc(C(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000522251431 388734715 /nfs/dbraw/zinc/73/47/15/388734715.db2.gz IARKHAVKITZKRB-UHFFFAOYSA-N 1 2 248.311 1.345 20 0 BDADLO CC(=O)N1CCC(Nc2ccc(C)[nH+]c2)CC1 ZINC000128021107 388736947 /nfs/dbraw/zinc/73/69/47/388736947.db2.gz VHARJYNGJSNLHR-UHFFFAOYSA-N 1 2 233.315 1.813 20 0 BDADLO CCC[N@H+](CCC(=O)NC(C)C)CC(F)F ZINC000194886831 388745371 /nfs/dbraw/zinc/74/53/71/388745371.db2.gz LOIYXJZRSSSZAL-UHFFFAOYSA-N 1 2 236.306 1.878 20 0 BDADLO CCC[N@@H+](CCC(=O)NC(C)C)CC(F)F ZINC000194886831 388745374 /nfs/dbraw/zinc/74/53/74/388745374.db2.gz LOIYXJZRSSSZAL-UHFFFAOYSA-N 1 2 236.306 1.878 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194911377 388747209 /nfs/dbraw/zinc/74/72/09/388747209.db2.gz BGXJTAHBTLBUBZ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194911377 388747210 /nfs/dbraw/zinc/74/72/10/388747210.db2.gz BGXJTAHBTLBUBZ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](CC(=O)Nc1cncnc1)n1cc[nH+]c1 ZINC000564216637 388751221 /nfs/dbraw/zinc/75/12/21/388751221.db2.gz XBNIRKQTWZLRAK-VIFPVBQESA-N 1 2 231.259 1.263 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)c2cnccn2)CCO1 ZINC000248643482 388688523 /nfs/dbraw/zinc/68/85/23/388688523.db2.gz ZQKYELSFNACZJH-MNOVXSKESA-N 1 2 221.304 1.648 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)c2cnccn2)CCO1 ZINC000248643482 388688526 /nfs/dbraw/zinc/68/85/26/388688526.db2.gz ZQKYELSFNACZJH-MNOVXSKESA-N 1 2 221.304 1.648 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCSCC ZINC000126250406 388692338 /nfs/dbraw/zinc/69/23/38/388692338.db2.gz SAMNYDAMNRWICQ-UHFFFAOYSA-N 1 2 219.350 1.625 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCSCC ZINC000126250406 388692340 /nfs/dbraw/zinc/69/23/40/388692340.db2.gz SAMNYDAMNRWICQ-UHFFFAOYSA-N 1 2 219.350 1.625 20 0 BDADLO CSCC[C@@H](C)[N@H+](C)Cc1noc(C)n1 ZINC000126338183 388693586 /nfs/dbraw/zinc/69/35/86/388693586.db2.gz UEZUSRJFDIXSCK-MRVPVSSYSA-N 1 2 229.349 1.951 20 0 BDADLO CSCC[C@@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC000126338183 388693588 /nfs/dbraw/zinc/69/35/88/388693588.db2.gz UEZUSRJFDIXSCK-MRVPVSSYSA-N 1 2 229.349 1.951 20 0 BDADLO CSCCN(C)Cc1[nH+]cc(C)n1C ZINC000342779380 135317249 /nfs/dbraw/zinc/31/72/49/135317249.db2.gz CPLFMMWINRQAAE-UHFFFAOYSA-N 1 2 213.350 1.523 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncnn1CC ZINC000193341467 388701685 /nfs/dbraw/zinc/70/16/85/388701685.db2.gz OLLMDHQVVBNISE-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncnn1CC ZINC000193341467 388701688 /nfs/dbraw/zinc/70/16/88/388701688.db2.gz OLLMDHQVVBNISE-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccn2C)no1 ZINC000126802406 388703097 /nfs/dbraw/zinc/70/30/97/388703097.db2.gz NANKARXANDFPDI-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccn2C)no1 ZINC000126802406 388703099 /nfs/dbraw/zinc/70/30/99/388703099.db2.gz NANKARXANDFPDI-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C=Cn1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cn1 ZINC000249051011 388705406 /nfs/dbraw/zinc/70/54/06/388705406.db2.gz XNDOHGVOHZYMAA-CMPLNLGQSA-N 1 2 248.330 1.069 20 0 BDADLO C=Cn1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cn1 ZINC000249051011 388705407 /nfs/dbraw/zinc/70/54/07/388705407.db2.gz XNDOHGVOHZYMAA-CMPLNLGQSA-N 1 2 248.330 1.069 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](C)OC(C)(C)C1 ZINC000195515287 388711396 /nfs/dbraw/zinc/71/13/96/388711396.db2.gz SBTOYWLVQHLNIX-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1ccnc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000195515287 388711398 /nfs/dbraw/zinc/71/13/98/388711398.db2.gz SBTOYWLVQHLNIX-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1ccnc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000195515287 388711401 /nfs/dbraw/zinc/71/14/01/388711401.db2.gz SBTOYWLVQHLNIX-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO COCCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC000066378727 388717174 /nfs/dbraw/zinc/71/71/74/388717174.db2.gz RCUVSXLUNBQJQQ-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000066378727 388717178 /nfs/dbraw/zinc/71/71/78/388717178.db2.gz RCUVSXLUNBQJQQ-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)no1 ZINC000249577750 388727921 /nfs/dbraw/zinc/72/79/21/388727921.db2.gz ALIWKYMXAOXHMY-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)no1 ZINC000249577750 388727923 /nfs/dbraw/zinc/72/79/23/388727923.db2.gz ALIWKYMXAOXHMY-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO O=C(/C=C/c1ccccc1)NCCn1cc[nH+]c1 ZINC000067182088 388729411 /nfs/dbraw/zinc/72/94/11/388729411.db2.gz QREQSCQRRIYTOY-VOTSOKGWSA-N 1 2 241.294 1.713 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2CCOC2CCC2)no1 ZINC000553870555 388793306 /nfs/dbraw/zinc/79/33/06/388793306.db2.gz YIJZWMLBFMMYHI-LLVKDONJSA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2CCOC2CCC2)no1 ZINC000553870555 388793312 /nfs/dbraw/zinc/79/33/12/388793312.db2.gz YIJZWMLBFMMYHI-LLVKDONJSA-N 1 2 237.303 1.776 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)s1 ZINC000540215713 388799128 /nfs/dbraw/zinc/79/91/28/388799128.db2.gz XXOKTNDBPXVIKU-WCBMZHEXSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)s1 ZINC000540215713 388799133 /nfs/dbraw/zinc/79/91/33/388799133.db2.gz XXOKTNDBPXVIKU-WCBMZHEXSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000336352603 177705441 /nfs/dbraw/zinc/70/54/41/177705441.db2.gz IMYQIGMHSWXUBE-CMPLNLGQSA-N 1 2 234.299 1.302 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccsc2)C[C@@H](CO)O1 ZINC000230016721 388809802 /nfs/dbraw/zinc/80/98/02/388809802.db2.gz UQQNNZZKLZOXOE-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H](CO)O1 ZINC000230016721 388809806 /nfs/dbraw/zinc/80/98/06/388809806.db2.gz UQQNNZZKLZOXOE-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)SC)C1CC1 ZINC000227771438 388758588 /nfs/dbraw/zinc/75/85/88/388758588.db2.gz VEKVSGOQNHNGIX-VXNVDRBHSA-N 1 2 217.334 1.279 20 0 BDADLO C[C@H](C(=O)Nc1ccc(F)cn1)[NH+]1CC(C)C1 ZINC000553336982 388764828 /nfs/dbraw/zinc/76/48/28/388764828.db2.gz RKBXEGRSUYVWMQ-SECBINFHSA-N 1 2 237.278 1.499 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CC[C@@H](O)C1 ZINC000227662370 388773061 /nfs/dbraw/zinc/77/30/61/388773061.db2.gz SDUUGIGENNDKNK-VHSXEESVSA-N 1 2 222.288 1.663 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNc1cccnn1)CCC2 ZINC000553507247 388778005 /nfs/dbraw/zinc/77/80/05/388778005.db2.gz USXVGBANZIWFQN-LLVKDONJSA-N 1 2 243.314 1.393 20 0 BDADLO FC1=CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000539812807 388779004 /nfs/dbraw/zinc/77/90/04/388779004.db2.gz ZJKMBXOHXDFJSY-LBPRGKRZSA-N 1 2 229.295 1.741 20 0 BDADLO FC1=CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000539812807 388779007 /nfs/dbraw/zinc/77/90/07/388779007.db2.gz ZJKMBXOHXDFJSY-LBPRGKRZSA-N 1 2 229.295 1.741 20 0 BDADLO CC(C)[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000128726677 388789570 /nfs/dbraw/zinc/78/95/70/388789570.db2.gz HQRRIGVOJTVBSA-VIFPVBQESA-N 1 2 209.293 1.361 20 0 BDADLO CC(F)(F)C(=O)NCCNc1cccc[nH+]1 ZINC000288551312 388791078 /nfs/dbraw/zinc/79/10/78/388791078.db2.gz LPCBZZBYWLFWSG-UHFFFAOYSA-N 1 2 229.230 1.265 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)[nH]n1 ZINC000230314462 388823226 /nfs/dbraw/zinc/82/32/26/388823226.db2.gz TVCZJOPHMZPIQJ-GHMZBOCLSA-N 1 2 207.277 1.067 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284563264 388829781 /nfs/dbraw/zinc/82/97/81/388829781.db2.gz NROLWNOYZHUXGL-LLVKDONJSA-N 1 2 239.319 1.036 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284563264 388829784 /nfs/dbraw/zinc/82/97/84/388829784.db2.gz NROLWNOYZHUXGL-LLVKDONJSA-N 1 2 239.319 1.036 20 0 BDADLO C(C[N@@H+]1CCOCC12CC2)OC[C@H]1CCCO1 ZINC000555066198 388839172 /nfs/dbraw/zinc/83/91/72/388839172.db2.gz QNNCIDOTABMTPL-GFCCVEGCSA-N 1 2 241.331 1.047 20 0 BDADLO C(C[N@H+]1CCOCC12CC2)OC[C@H]1CCCO1 ZINC000555066198 388839176 /nfs/dbraw/zinc/83/91/76/388839176.db2.gz QNNCIDOTABMTPL-GFCCVEGCSA-N 1 2 241.331 1.047 20 0 BDADLO CCCSCC(=O)NCCc1c[nH+]cn1C ZINC000541552163 388856592 /nfs/dbraw/zinc/85/65/92/388856592.db2.gz NYSOUKQWRABNIT-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)n1cccc1 ZINC000523870872 388862609 /nfs/dbraw/zinc/86/26/09/388862609.db2.gz MNBRDEVXGOWOCO-LLVKDONJSA-N 1 2 246.314 1.821 20 0 BDADLO CC[C@H]([NH2+]Cc1nccn1C)c1ccn(C)n1 ZINC000541742284 388865987 /nfs/dbraw/zinc/86/59/87/388865987.db2.gz SROPRXKCSBXJTL-JTQLQIEISA-N 1 2 233.319 1.395 20 0 BDADLO CC[C@H](NCc1[nH+]ccn1C)c1ccn(C)n1 ZINC000541742284 388865988 /nfs/dbraw/zinc/86/59/88/388865988.db2.gz SROPRXKCSBXJTL-JTQLQIEISA-N 1 2 233.319 1.395 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cccc(O)c1 ZINC000094687822 388867830 /nfs/dbraw/zinc/86/78/30/388867830.db2.gz XLIAMSDSUHVRBA-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cccc(O)c1 ZINC000094687822 388867831 /nfs/dbraw/zinc/86/78/31/388867831.db2.gz XLIAMSDSUHVRBA-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO O=C(c1cscn1)N1CC(n2cc[nH+]c2)C1 ZINC000523679710 388851229 /nfs/dbraw/zinc/85/12/29/388851229.db2.gz WJCKOEKRGPVYQH-UHFFFAOYSA-N 1 2 234.284 1.037 20 0 BDADLO CC(=O)NCC[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC000564928501 388898620 /nfs/dbraw/zinc/89/86/20/388898620.db2.gz LCRHPEDKJHSFFP-VIFPVBQESA-N 1 2 225.292 1.112 20 0 BDADLO CC(=O)NCC[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC000564928501 388898622 /nfs/dbraw/zinc/89/86/22/388898622.db2.gz LCRHPEDKJHSFFP-VIFPVBQESA-N 1 2 225.292 1.112 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000565048897 388911764 /nfs/dbraw/zinc/91/17/64/388911764.db2.gz WKGCFMQSUPXNMU-GHMZBOCLSA-N 1 2 243.347 1.469 20 0 BDADLO CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCn1cc[nH+]c1 ZINC000565104335 388915292 /nfs/dbraw/zinc/91/52/92/388915292.db2.gz NXDJITCKIIQDLJ-LLVKDONJSA-N 1 2 239.319 1.314 20 0 BDADLO CC(C)C[C@H](C(=O)[O-])[N@H+](C)CCn1cc[nH+]c1 ZINC000565104335 388915289 /nfs/dbraw/zinc/91/52/89/388915289.db2.gz NXDJITCKIIQDLJ-LLVKDONJSA-N 1 2 239.319 1.314 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H]([C@H](C)O)C1 ZINC000565229416 388930176 /nfs/dbraw/zinc/93/01/76/388930176.db2.gz MTDBWWNVTXJWHX-JQWIXIFHSA-N 1 2 235.331 1.691 20 0 BDADLO C[C@H](CC(=O)NCc1ccco1)n1cc[nH+]c1 ZINC000565718579 388965836 /nfs/dbraw/zinc/96/58/36/388965836.db2.gz NXZKDHRXQLXPEP-SNVBAGLBSA-N 1 2 233.271 1.744 20 0 BDADLO CCOCC1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000565460492 388946536 /nfs/dbraw/zinc/94/65/36/388946536.db2.gz UTOJGXWWLBEWPR-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO COC(C)(C)C[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000565564908 388953309 /nfs/dbraw/zinc/95/33/09/388953309.db2.gz BSZMYLDIHHRBMG-MRVPVSSYSA-N 1 2 227.308 1.796 20 0 BDADLO COC(C)(C)C[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000565564908 388953304 /nfs/dbraw/zinc/95/33/04/388953304.db2.gz BSZMYLDIHHRBMG-MRVPVSSYSA-N 1 2 227.308 1.796 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000566084485 388986756 /nfs/dbraw/zinc/98/67/56/388986756.db2.gz HGAREFGAOMDBDH-AEJSXWLSSA-N 1 2 232.283 1.584 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1scnc1C ZINC000265647284 388992972 /nfs/dbraw/zinc/99/29/72/388992972.db2.gz MKIPVEVUFAOWEL-UHFFFAOYSA-N 1 2 242.344 1.535 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CCCC1 ZINC000266983635 388997913 /nfs/dbraw/zinc/99/79/13/388997913.db2.gz REMGTOQDMAUAJX-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC1CC1 ZINC000267291010 388999225 /nfs/dbraw/zinc/99/92/25/388999225.db2.gz ZNCDVPLLMTYLTN-UHFFFAOYSA-N 1 2 207.277 1.525 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000565825433 388971048 /nfs/dbraw/zinc/97/10/48/388971048.db2.gz IINVALIXADSDLL-MBTKJCJQSA-N 1 2 205.261 1.246 20 0 BDADLO Nc1ccc(NC(=O)/C=C/C2CC2)c[nH+]1 ZINC000269148158 389007211 /nfs/dbraw/zinc/00/72/11/389007211.db2.gz KDHHUUSNTNSASJ-ZZXKWVIFSA-N 1 2 203.245 1.569 20 0 BDADLO Cc1cc(N2CCO[C@H]3CCC[C@H]32)nc[nH+]1 ZINC000362373173 132281010 /nfs/dbraw/zinc/28/10/10/132281010.db2.gz HNOZRTSGSLROGA-MNOVXSKESA-N 1 2 219.288 1.543 20 0 BDADLO COC(=O)N1CC([NH2+][C@@H](C)c2cscn2)C1 ZINC000271525615 389021587 /nfs/dbraw/zinc/02/15/87/389021587.db2.gz QBBBFYBQGDVVKS-ZETCQYMHSA-N 1 2 241.316 1.244 20 0 BDADLO C[C@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1cccs1 ZINC000273327299 389039422 /nfs/dbraw/zinc/03/94/22/389039422.db2.gz TWBPLUKFXQMANL-LURJTMIESA-N 1 2 224.289 1.010 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccno1)c1ccco1 ZINC000273473030 389041695 /nfs/dbraw/zinc/04/16/95/389041695.db2.gz GFACNZCDWPUFJH-SNVBAGLBSA-N 1 2 222.244 1.745 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493532907 533287337 /nfs/dbraw/zinc/28/73/37/533287337.db2.gz WIYHIGNNGQPHFP-LDYOUVJNSA-N 1 2 235.287 1.059 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1C[C@H]1C ZINC000488327354 533324520 /nfs/dbraw/zinc/32/45/20/533324520.db2.gz HCWMRLJBZFJPGX-BDAKNGLRSA-N 1 2 207.264 1.856 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1C[C@H]1C ZINC000488327354 533324523 /nfs/dbraw/zinc/32/45/23/533324523.db2.gz HCWMRLJBZFJPGX-BDAKNGLRSA-N 1 2 207.264 1.856 20 0 BDADLO c1ccc(N2CCC[C@H](C3OCCO3)C2)[nH+]c1 ZINC000264957602 132181052 /nfs/dbraw/zinc/18/10/52/132181052.db2.gz YNAWRIDHIRQRTI-NSHDSACASA-N 1 2 234.299 1.671 20 0 BDADLO C[C@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000267163381 132188306 /nfs/dbraw/zinc/18/83/06/132188306.db2.gz GMDCOINUZXCHLO-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO C[C@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000267163381 132188308 /nfs/dbraw/zinc/18/83/08/132188308.db2.gz GMDCOINUZXCHLO-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO COCC1(O)CCN(c2cccc[nH+]2)CC1 ZINC000270194235 132196225 /nfs/dbraw/zinc/19/62/25/132196225.db2.gz CGXVXKJHWURVCJ-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO C[C@@H]1COCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000270215158 132196235 /nfs/dbraw/zinc/19/62/35/132196235.db2.gz AVSVGJLEQBMQQN-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1COCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000270215158 132196237 /nfs/dbraw/zinc/19/62/37/132196237.db2.gz AVSVGJLEQBMQQN-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO CC(C)=CCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277850228 132207675 /nfs/dbraw/zinc/20/76/75/132207675.db2.gz QSMTZUPHSVWQCT-UHFFFAOYSA-N 1 2 248.330 1.691 20 0 BDADLO CC(C)=CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277850228 132207679 /nfs/dbraw/zinc/20/76/79/132207679.db2.gz QSMTZUPHSVWQCT-UHFFFAOYSA-N 1 2 248.330 1.691 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@@H](C3CC3)C2)cc[nH+]1 ZINC000280202305 132209861 /nfs/dbraw/zinc/20/98/61/132209861.db2.gz GCDFPAMTCFIJTE-JOYOIKCWSA-N 1 2 233.315 1.789 20 0 BDADLO O=C1N[C@H]2CCN(c3cccc[nH+]3)C[C@@H]2CO1 ZINC000281712386 132211593 /nfs/dbraw/zinc/21/15/93/132211593.db2.gz CMKQTJFWTWXLKP-ZJUUUORDSA-N 1 2 233.271 1.016 20 0 BDADLO CN1CCOc2ccc([NH2+]CC3(C)COC3)cc21 ZINC000286444683 132214729 /nfs/dbraw/zinc/21/47/29/132214729.db2.gz JLXWYRICIFEWJH-UHFFFAOYSA-N 1 2 248.326 1.964 20 0 BDADLO Cc1nc(N2CCOC[C@H]2CC(F)F)cc[nH+]1 ZINC000286388646 132214754 /nfs/dbraw/zinc/21/47/54/132214754.db2.gz MMAHDCCTJRSBDM-SECBINFHSA-N 1 2 243.257 1.645 20 0 BDADLO Cc1cnc(N2CCn3c[nH+]cc3C2)nc1C ZINC000290792181 132217259 /nfs/dbraw/zinc/21/72/59/132217259.db2.gz XOFYLUMJFBIAAB-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC(CF)CC1 ZINC000294929297 132219699 /nfs/dbraw/zinc/21/96/99/132219699.db2.gz HFLOULHQKGZDSB-UHFFFAOYSA-N 1 2 249.293 1.549 20 0 BDADLO CN(C)C(=O)O[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000296424289 132221097 /nfs/dbraw/zinc/22/10/97/132221097.db2.gz XSYVTEHWVJKCGI-NSHDSACASA-N 1 2 249.314 1.749 20 0 BDADLO Cc1cc(N2CCC(n3cccn3)CC2)nc[nH+]1 ZINC000301257299 132252262 /nfs/dbraw/zinc/25/22/62/132252262.db2.gz RFLGHOPPDSIYEV-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO COC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000301257326 132252349 /nfs/dbraw/zinc/25/23/49/132252349.db2.gz RGYZTHWLEQHIAZ-UHFFFAOYSA-N 1 2 233.315 1.969 20 0 BDADLO Cc1nc(N2CCC[C@@H](C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000301431751 132253793 /nfs/dbraw/zinc/25/37/93/132253793.db2.gz GZOWDTBMKLXWML-LLVKDONJSA-N 1 2 248.330 1.104 20 0 BDADLO Cc1nc(N2CCSCC2)c(C)c(C)[nH+]1 ZINC000301453526 132254156 /nfs/dbraw/zinc/25/41/56/132254156.db2.gz VHNCCPCPOXLQMC-UHFFFAOYSA-N 1 2 223.345 1.955 20 0 BDADLO Cc1cc(N2CCO[C@H]([C@H]3CCCO3)C2)nc[nH+]1 ZINC000301623586 132255246 /nfs/dbraw/zinc/25/52/46/132255246.db2.gz YWVCAPZNIGYUJH-NEPJUHHUSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1cc(N2CC(=O)N[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301649246 132255669 /nfs/dbraw/zinc/25/56/69/132255669.db2.gz RCZKZFXLCWDIAC-QWRGUYRKSA-N 1 2 246.314 1.032 20 0 BDADLO Cc1nc(N2CCC[C@H]([C@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000301787488 132257286 /nfs/dbraw/zinc/25/72/86/132257286.db2.gz PXHBZNNELLHJEM-AAEUAGOBSA-N 1 2 249.358 1.999 20 0 BDADLO c1ccc(N2CCO[C@H](COCC3CC3)C2)[nH+]c1 ZINC000302349015 132262703 /nfs/dbraw/zinc/26/27/03/132262703.db2.gz ATUGMKLNHKRSLG-ZDUSSCGKSA-N 1 2 248.326 1.713 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CC[C@H]1O ZINC000302403484 132263289 /nfs/dbraw/zinc/26/32/89/132263289.db2.gz KITBCWXLNSCNPJ-GXSJLCMTSA-N 1 2 233.315 1.561 20 0 BDADLO Cc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)nc[nH+]1 ZINC000357748847 132274919 /nfs/dbraw/zinc/27/49/19/132274919.db2.gz LFOMIAYGMTXMDM-UWVGGRQHSA-N 1 2 239.344 1.131 20 0 BDADLO Cc1cc(N2CCO[C@@]3(CCO[C@@H]3C)C2)nc[nH+]1 ZINC000359871836 132278305 /nfs/dbraw/zinc/27/83/05/132278305.db2.gz HNHJSXUJYFIICQ-YPMHNXCESA-N 1 2 249.314 1.169 20 0 BDADLO CCC1(O)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000361280576 132279792 /nfs/dbraw/zinc/27/97/92/132279792.db2.gz JEFRJWHNPXLQKQ-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO O[C@@H]1CCCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000361812120 132280386 /nfs/dbraw/zinc/28/03/86/132280386.db2.gz JLWMWSKWAHJCLZ-LLVKDONJSA-N 1 2 244.298 1.228 20 0 BDADLO c1ccc(N2CCC3(CCO3)CC2)[nH+]c1 ZINC000370589020 132284871 /nfs/dbraw/zinc/28/48/71/132284871.db2.gz NTVIBWBZVONOEU-UHFFFAOYSA-N 1 2 204.273 1.841 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000334246233 133593415 /nfs/dbraw/zinc/59/34/15/133593415.db2.gz UIZBIKPMFFGPHZ-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO COC1C[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000334732862 133742828 /nfs/dbraw/zinc/74/28/28/133742828.db2.gz XIOLIACJACDQSN-UHFFFAOYSA-N 1 2 231.295 1.793 20 0 BDADLO CC(C)CC[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345504940 133772878 /nfs/dbraw/zinc/77/28/78/133772878.db2.gz GQCYPFNIJGXCAG-UWVGGRQHSA-N 1 2 248.317 1.925 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000335457928 133852524 /nfs/dbraw/zinc/85/25/24/133852524.db2.gz GKUURWTZSWOHEI-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000335457928 133852525 /nfs/dbraw/zinc/85/25/25/133852525.db2.gz GKUURWTZSWOHEI-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)NC12CCSCC2 ZINC000335932359 134011403 /nfs/dbraw/zinc/01/14/03/134011403.db2.gz BXAVMCPGFJNSDR-UHFFFAOYSA-N 1 2 228.361 1.298 20 0 BDADLO CC(C)C[N@H+]1CC(=O)NC12CCSCC2 ZINC000335932359 134011404 /nfs/dbraw/zinc/01/14/04/134011404.db2.gz BXAVMCPGFJNSDR-UHFFFAOYSA-N 1 2 228.361 1.298 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000335956640 134023329 /nfs/dbraw/zinc/02/33/29/134023329.db2.gz FQGMHUACUYPAPD-ZJUUUORDSA-N 1 2 221.304 1.473 20 0 BDADLO CCN(C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335960780 134026517 /nfs/dbraw/zinc/02/65/17/134026517.db2.gz RBSUISFMYFGGLH-JTQLQIEISA-N 1 2 236.319 1.281 20 0 BDADLO OCC[N@H+](Cc1ncc(Cl)s1)C1CC1 ZINC000352002037 134027277 /nfs/dbraw/zinc/02/72/77/134027277.db2.gz JPLOGFRPHIIORO-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO OCC[N@@H+](Cc1ncc(Cl)s1)C1CC1 ZINC000352002037 134027278 /nfs/dbraw/zinc/02/72/78/134027278.db2.gz JPLOGFRPHIIORO-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO Cn1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000335966086 134028239 /nfs/dbraw/zinc/02/82/39/134028239.db2.gz MKAXAXVODAONLS-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cc(O)cc(F)c1 ZINC000351993756 134033360 /nfs/dbraw/zinc/03/33/60/134033360.db2.gz CLKAOCWIUKHXFS-UHFFFAOYSA-N 1 2 235.262 1.886 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cc(O)cc(F)c1 ZINC000351993756 134033361 /nfs/dbraw/zinc/03/33/61/134033361.db2.gz CLKAOCWIUKHXFS-UHFFFAOYSA-N 1 2 235.262 1.886 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336002188 134047688 /nfs/dbraw/zinc/04/76/88/134047688.db2.gz YAPIOZYIYKFDQM-UHFFFAOYSA-N 1 2 248.326 1.275 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000336002188 134047689 /nfs/dbraw/zinc/04/76/89/134047689.db2.gz YAPIOZYIYKFDQM-UHFFFAOYSA-N 1 2 248.326 1.275 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N1CCn2cc[nH+]c2C1 ZINC000336015510 134053082 /nfs/dbraw/zinc/05/30/82/134053082.db2.gz VHSLIVUSMWKOGU-ZJUUUORDSA-N 1 2 219.288 1.271 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)NC3CC3)cc2n1C ZINC000336064250 134069762 /nfs/dbraw/zinc/06/97/62/134069762.db2.gz LADFSSVBPDPMHM-UHFFFAOYSA-N 1 2 229.283 1.774 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000336065934 134070391 /nfs/dbraw/zinc/07/03/91/134070391.db2.gz QUWVCVJIWCMCHN-ZJUUUORDSA-N 1 2 220.272 1.175 20 0 BDADLO Cc1cc(C[NH+]2CCC(O)(C(F)F)CC2)no1 ZINC000336105865 134084780 /nfs/dbraw/zinc/08/47/80/134084780.db2.gz COJCFODVNYJYPE-UHFFFAOYSA-N 1 2 246.257 1.575 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](C)(F)C2)ncn1 ZINC000336112155 134086971 /nfs/dbraw/zinc/08/69/71/134086971.db2.gz MFMUUDXMPDPOKD-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](C)(F)C2)ncn1 ZINC000336112155 134086972 /nfs/dbraw/zinc/08/69/72/134086972.db2.gz MFMUUDXMPDPOKD-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H]2CCO)cc[nH+]1 ZINC000336119179 134089669 /nfs/dbraw/zinc/08/96/69/134089669.db2.gz IRKFEOYGAGNHBK-LBPRGKRZSA-N 1 2 249.314 1.191 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCc1cc[nH]n1 ZINC000352161690 134090502 /nfs/dbraw/zinc/09/05/02/134090502.db2.gz YVOZOLINUATYIJ-UHFFFAOYSA-N 1 2 246.299 1.379 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c3ccccn23)CCC1=O ZINC000336121150 134091623 /nfs/dbraw/zinc/09/16/23/134091623.db2.gz GMLLXTRSZXTNRH-NSHDSACASA-N 1 2 243.310 1.745 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000336163642 134112219 /nfs/dbraw/zinc/11/22/19/134112219.db2.gz GMBYPHHOIFZTTJ-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000336163642 134112220 /nfs/dbraw/zinc/11/22/20/134112220.db2.gz GMBYPHHOIFZTTJ-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(C(N)=O)c1 ZINC000352241704 134118094 /nfs/dbraw/zinc/11/80/94/134118094.db2.gz MYCCCSJRBNRPJX-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(C(N)=O)c1 ZINC000352241704 134118095 /nfs/dbraw/zinc/11/80/95/134118095.db2.gz MYCCCSJRBNRPJX-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO Cc1cc(NC(=O)CC[N@@H+](C)CC(F)F)no1 ZINC000171675554 134257501 /nfs/dbraw/zinc/25/75/01/134257501.db2.gz RXXBDIFFMRKXEP-UHFFFAOYSA-N 1 2 247.245 1.509 20 0 BDADLO Cc1cc(NC(=O)CC[N@H+](C)CC(F)F)no1 ZINC000171675554 134257502 /nfs/dbraw/zinc/25/75/02/134257502.db2.gz RXXBDIFFMRKXEP-UHFFFAOYSA-N 1 2 247.245 1.509 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000172014350 134264328 /nfs/dbraw/zinc/26/43/28/134264328.db2.gz LZOPWHZPVJLCHH-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000172014350 134264329 /nfs/dbraw/zinc/26/43/29/134264329.db2.gz LZOPWHZPVJLCHH-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173845343 134277809 /nfs/dbraw/zinc/27/78/09/134277809.db2.gz IZFXHSPEULEVQF-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000173845343 134277810 /nfs/dbraw/zinc/27/78/10/134277810.db2.gz IZFXHSPEULEVQF-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000176589237 134293086 /nfs/dbraw/zinc/29/30/86/134293086.db2.gz ORDAODYFIJTHGU-BXKDBHETSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC000177260306 134296726 /nfs/dbraw/zinc/29/67/26/134296726.db2.gz QAZMDWZTBBEOCR-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC000177260306 134296727 /nfs/dbraw/zinc/29/67/27/134296727.db2.gz QAZMDWZTBBEOCR-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000177260306 134296728 /nfs/dbraw/zinc/29/67/28/134296728.db2.gz QAZMDWZTBBEOCR-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO CCCc1nc(C[N@H+](C)C[C@@H]2CCOC2)no1 ZINC000178354001 134308871 /nfs/dbraw/zinc/30/88/71/134308871.db2.gz XTVKIOTYHHFAFI-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1nc(C[N@@H+](C)C[C@@H]2CCOC2)no1 ZINC000178354001 134308872 /nfs/dbraw/zinc/30/88/72/134308872.db2.gz XTVKIOTYHHFAFI-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178816601 134315422 /nfs/dbraw/zinc/31/54/22/134315422.db2.gz GGDIBRVNLAUKEA-VXGBXAGGSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2ccncc2)no1 ZINC000181464959 134336870 /nfs/dbraw/zinc/33/68/70/134336870.db2.gz WIUNTBGZHKXZHT-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2ccncc2)no1 ZINC000181464959 134336871 /nfs/dbraw/zinc/33/68/71/134336871.db2.gz WIUNTBGZHKXZHT-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CC[C@H]1CCCC[N@@H+]1Cc1noc(COC)n1 ZINC000182391087 134344819 /nfs/dbraw/zinc/34/48/19/134344819.db2.gz HXGKNEIIRLOYDK-JTQLQIEISA-N 1 2 239.319 1.981 20 0 BDADLO CC[C@H]1CCCC[N@H+]1Cc1noc(COC)n1 ZINC000182391087 134344820 /nfs/dbraw/zinc/34/48/20/134344820.db2.gz HXGKNEIIRLOYDK-JTQLQIEISA-N 1 2 239.319 1.981 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000182671792 134346801 /nfs/dbraw/zinc/34/68/01/134346801.db2.gz XNLAMKVJWZGCMF-ZJUUUORDSA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000182671792 134346802 /nfs/dbraw/zinc/34/68/02/134346802.db2.gz XNLAMKVJWZGCMF-ZJUUUORDSA-N 1 2 239.319 1.694 20 0 BDADLO Cn1nccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000225312171 134354308 /nfs/dbraw/zinc/35/43/08/134354308.db2.gz OAYJDPFTMYHMQW-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO COC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185547618 134381569 /nfs/dbraw/zinc/38/15/69/134381569.db2.gz SKDVDFHTEXIBNH-ONGXEEELSA-N 1 2 235.283 1.314 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000227769383 134393289 /nfs/dbraw/zinc/39/32/89/134393289.db2.gz BAAWNXSBRMCMKQ-MNOVXSKESA-N 1 2 227.304 1.097 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc(N2CCCC2)[nH+]cn1 ZINC000408109973 134395072 /nfs/dbraw/zinc/39/50/72/134395072.db2.gz JHUXUHFCVRYVBF-QWRGUYRKSA-N 1 2 248.330 1.036 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc(N2CCCC2)nc[nH+]1 ZINC000408109973 134395074 /nfs/dbraw/zinc/39/50/74/134395074.db2.gz JHUXUHFCVRYVBF-QWRGUYRKSA-N 1 2 248.330 1.036 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)no1 ZINC000185921566 134396919 /nfs/dbraw/zinc/39/69/19/134396919.db2.gz WFZGZNODGICNDI-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)no1 ZINC000185921566 134396920 /nfs/dbraw/zinc/39/69/20/134396920.db2.gz WFZGZNODGICNDI-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000048598209 134621994 /nfs/dbraw/zinc/62/19/94/134621994.db2.gz CCYRNVTXTQPYMD-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000153800289 134652747 /nfs/dbraw/zinc/65/27/47/134652747.db2.gz ARXFXEDSDPNULI-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000153800289 134652750 /nfs/dbraw/zinc/65/27/50/134652750.db2.gz ARXFXEDSDPNULI-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000140464435 134793217 /nfs/dbraw/zinc/79/32/17/134793217.db2.gz CJBWQDXTBQWHFM-ZJUUUORDSA-N 1 2 237.303 1.404 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccn1 ZINC000246392663 134886740 /nfs/dbraw/zinc/88/67/40/134886740.db2.gz KSKZZNDRLSANFV-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccn1 ZINC000246392663 134886742 /nfs/dbraw/zinc/88/67/42/134886742.db2.gz KSKZZNDRLSANFV-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO Cc1occc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650709 135004268 /nfs/dbraw/zinc/00/42/68/135004268.db2.gz SWWVGRYATFNWFI-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](CC)c1nccs1 ZINC000070732924 135010194 /nfs/dbraw/zinc/01/01/94/135010194.db2.gz OHFCNJAZBYSJOE-VIFPVBQESA-N 1 2 241.360 1.710 20 0 BDADLO c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)[nH]n1 ZINC000250136464 135049473 /nfs/dbraw/zinc/04/94/73/135049473.db2.gz YCYCBDXVCJWPKR-HBNTYKKESA-N 1 2 207.277 1.067 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250706799 135058059 /nfs/dbraw/zinc/05/80/59/135058059.db2.gz WODBLAQRSRRSLS-LNFKQOIKSA-N 1 2 241.331 1.341 20 0 BDADLO O=C(Cc1cccs1)NCc1c[nH+]c[nH]1 ZINC000084081806 135182064 /nfs/dbraw/zinc/18/20/64/135182064.db2.gz NMWWPVOUJJRZAM-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO O=C(Cc1cccs1)NCc1c[nH]c[nH+]1 ZINC000084081806 135182065 /nfs/dbraw/zinc/18/20/65/135182065.db2.gz NMWWPVOUJJRZAM-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO Nc1ncc(C[N@@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000261586658 135227406 /nfs/dbraw/zinc/22/74/06/135227406.db2.gz RHEVLLCOXQTFER-JTQLQIEISA-N 1 2 239.344 1.336 20 0 BDADLO Nc1ncc(C[N@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000261586658 135227408 /nfs/dbraw/zinc/22/74/08/135227408.db2.gz RHEVLLCOXQTFER-JTQLQIEISA-N 1 2 239.344 1.336 20 0 BDADLO C[NH2+]Cc1noc([C@H]2CC23CCCC3)n1 ZINC000261546647 135239459 /nfs/dbraw/zinc/23/94/59/135239459.db2.gz LDGNMAVUQWBHNG-MRVPVSSYSA-N 1 2 207.277 1.837 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CC23CCCC3)n1 ZINC000261546648 135239549 /nfs/dbraw/zinc/23/95/49/135239549.db2.gz LDGNMAVUQWBHNG-QMMMGPOBSA-N 1 2 207.277 1.837 20 0 BDADLO Cc1c[nH+]c(CNc2ccc(CCO)nc2)n1C ZINC000342308543 135258189 /nfs/dbraw/zinc/25/81/89/135258189.db2.gz XTOUFPWSTPBDIX-UHFFFAOYSA-N 1 2 246.314 1.270 20 0 BDADLO CCCn1cc(C[NH2+][C@H](C)c2nc(C)no2)cn1 ZINC000342427488 135273479 /nfs/dbraw/zinc/27/34/79/135273479.db2.gz ATOMUWRWEAVNSO-SECBINFHSA-N 1 2 249.318 1.835 20 0 BDADLO c1cc([C@H]2CNCC[N@H+]2CC2CC2)ccn1 ZINC000262092187 135278419 /nfs/dbraw/zinc/27/84/19/135278419.db2.gz UWLQQNMEBJZSAJ-CYBMUJFWSA-N 1 2 217.316 1.438 20 0 BDADLO c1cc([C@H]2CNCC[N@@H+]2CC2CC2)ccn1 ZINC000262092187 135278421 /nfs/dbraw/zinc/27/84/21/135278421.db2.gz UWLQQNMEBJZSAJ-CYBMUJFWSA-N 1 2 217.316 1.438 20 0 BDADLO OCC[N@H+](Cc1nc(C2CC2)cs1)C1CC1 ZINC000342689257 135305437 /nfs/dbraw/zinc/30/54/37/135305437.db2.gz DCAYMZFCXQAXOK-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO OCC[N@@H+](Cc1nc(C2CC2)cs1)C1CC1 ZINC000342689257 135305439 /nfs/dbraw/zinc/30/54/39/135305439.db2.gz DCAYMZFCXQAXOK-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO C[C@H](c1ccccc1)[N@H+](C)Cc1nnnn1C ZINC000342709591 135312939 /nfs/dbraw/zinc/31/29/39/135312939.db2.gz KMWXYGIILDZVTD-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1nnnn1C ZINC000342709591 135312940 /nfs/dbraw/zinc/31/29/40/135312940.db2.gz KMWXYGIILDZVTD-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO CSCC[N@H+](C)Cc1ncc(C)n1C ZINC000342779380 135317246 /nfs/dbraw/zinc/31/72/46/135317246.db2.gz CPLFMMWINRQAAE-UHFFFAOYSA-N 1 2 213.350 1.523 20 0 BDADLO CSCC[N@@H+](C)Cc1ncc(C)n1C ZINC000342779380 135317247 /nfs/dbraw/zinc/31/72/47/135317247.db2.gz CPLFMMWINRQAAE-UHFFFAOYSA-N 1 2 213.350 1.523 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H](C(C)C)C2)n1C ZINC000342796164 135319393 /nfs/dbraw/zinc/31/93/93/135319393.db2.gz JDUQCPDWVRPEST-GFCCVEGCSA-N 1 2 237.347 1.585 20 0 BDADLO CC[C@H]1COCCN1Cc1[nH+]cc(C)n1C ZINC000342794156 135319513 /nfs/dbraw/zinc/31/95/13/135319513.db2.gz TYIORUKRQJVOSL-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)n1C ZINC000342795883 135319746 /nfs/dbraw/zinc/31/97/46/135319746.db2.gz DHSSXERNOBPPKO-TUAOUCFPSA-N 1 2 237.347 1.726 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000334164755 135322809 /nfs/dbraw/zinc/32/28/09/135322809.db2.gz AGEKTECFCHSRET-GFCCVEGCSA-N 1 2 234.278 1.663 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000334164755 135322810 /nfs/dbraw/zinc/32/28/10/135322810.db2.gz AGEKTECFCHSRET-GFCCVEGCSA-N 1 2 234.278 1.663 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@](C)(F)C2)cn1 ZINC000334165199 135323103 /nfs/dbraw/zinc/32/31/03/135323103.db2.gz ADURIVJHSFFXDR-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@](C)(F)C2)cn1 ZINC000334165199 135323104 /nfs/dbraw/zinc/32/31/04/135323104.db2.gz ADURIVJHSFFXDR-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO O=C(Nc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262949159 135325006 /nfs/dbraw/zinc/32/50/06/135325006.db2.gz JJRLKFQCDJZVKR-VIFPVBQESA-N 1 2 226.226 1.622 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H]3CCC[C@@H]32)n1C ZINC000342776941 135327856 /nfs/dbraw/zinc/32/78/56/135327856.db2.gz JDUBHCXTHASTQD-RYUDHWBXSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000334294338 135341724 /nfs/dbraw/zinc/34/17/24/135341724.db2.gz SRXRFBIADLVZKF-VHSXEESVSA-N 1 2 237.278 1.824 20 0 BDADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(CCC2)C1 ZINC000263254377 135342571 /nfs/dbraw/zinc/34/25/71/135342571.db2.gz QIHFAEXLUDFERF-SECBINFHSA-N 1 2 244.285 1.386 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)[C@@H]2C)[nH]1 ZINC000334308679 135349852 /nfs/dbraw/zinc/34/98/52/135349852.db2.gz ICCGHBLUOPNFCE-IUCAKERBSA-N 1 2 208.309 1.768 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@@H]2C)[nH]1 ZINC000334308679 135349853 /nfs/dbraw/zinc/34/98/53/135349853.db2.gz ICCGHBLUOPNFCE-IUCAKERBSA-N 1 2 208.309 1.768 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N1CCC(F)(F)C1 ZINC000334320663 135352546 /nfs/dbraw/zinc/35/25/46/135352546.db2.gz VYUMKIMJWRIHFJ-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1(C)CC1)CCC2 ZINC000334330217 135354430 /nfs/dbraw/zinc/35/44/30/135354430.db2.gz OPKMCVPTGHQSNE-LLVKDONJSA-N 1 2 247.342 1.985 20 0 BDADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000334330278 135354998 /nfs/dbraw/zinc/35/49/98/135354998.db2.gz OKJIZACCHSUYPL-BDAKNGLRSA-N 1 2 200.282 1.267 20 0 BDADLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000334330278 135354999 /nfs/dbraw/zinc/35/49/99/135354999.db2.gz OKJIZACCHSUYPL-BDAKNGLRSA-N 1 2 200.282 1.267 20 0 BDADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000334341953 135364606 /nfs/dbraw/zinc/36/46/06/135364606.db2.gz PBZQBDRMUQKRMO-RKDXNWHRSA-N 1 2 247.298 1.147 20 0 BDADLO C[C@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@H]1C ZINC000334341953 135364607 /nfs/dbraw/zinc/36/46/07/135364607.db2.gz PBZQBDRMUQKRMO-RKDXNWHRSA-N 1 2 247.298 1.147 20 0 BDADLO Cc1cc(F)cc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080208955 135368003 /nfs/dbraw/zinc/36/80/03/135368003.db2.gz SVYTWTIXRZVXEL-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000334366952 135374122 /nfs/dbraw/zinc/37/41/22/135374122.db2.gz JSHMNYSDWZLCGK-SNVBAGLBSA-N 1 2 235.331 1.782 20 0 BDADLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)[C@H]1C ZINC000334373417 135376592 /nfs/dbraw/zinc/37/65/92/135376592.db2.gz ZYGAIDHTBOFZLC-IUCAKERBSA-N 1 2 221.304 1.554 20 0 BDADLO Cn1c2c(cccc2F)[nH]c1=[NH+]CC(C)(C)O ZINC000334378131 135378950 /nfs/dbraw/zinc/37/89/50/135378950.db2.gz GVZVCZQCGAEYTE-UHFFFAOYSA-N 1 2 237.278 1.317 20 0 BDADLO CC[C@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000164497783 135381305 /nfs/dbraw/zinc/38/13/05/135381305.db2.gz IHBJLQZKHCWQDO-VIFPVBQESA-N 1 2 209.293 1.804 20 0 BDADLO C[C@]1(F)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000334387168 135382891 /nfs/dbraw/zinc/38/28/91/135382891.db2.gz PAVWIJPMQXNXJF-NSHDSACASA-N 1 2 225.267 1.234 20 0 BDADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ocnc1C1CC1 ZINC000334411403 135395805 /nfs/dbraw/zinc/39/58/05/135395805.db2.gz LERMRMDZSMWWRO-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ocnc1C1CC1 ZINC000334411403 135395806 /nfs/dbraw/zinc/39/58/06/135395806.db2.gz LERMRMDZSMWWRO-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000334437661 135403858 /nfs/dbraw/zinc/40/38/58/135403858.db2.gz RPAYNTIKDFDQNZ-WPRPVWTQSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000334437661 135403860 /nfs/dbraw/zinc/40/38/60/135403860.db2.gz RPAYNTIKDFDQNZ-WPRPVWTQSA-N 1 2 209.293 1.998 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc(F)cc(F)c1 ZINC000088753627 135527266 /nfs/dbraw/zinc/52/72/66/135527266.db2.gz BAYWXKDPGMOZOY-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc(F)cc(F)c1 ZINC000088753627 135527267 /nfs/dbraw/zinc/52/72/67/135527267.db2.gz BAYWXKDPGMOZOY-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]Cc2cn(C)nc2C)o1 ZINC000231530876 135611163 /nfs/dbraw/zinc/61/11/63/135611163.db2.gz GJPOTEVSJDVWCR-SNVBAGLBSA-N 1 2 234.303 1.876 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000335283629 136001447 /nfs/dbraw/zinc/00/14/47/136001447.db2.gz BGOPILFCEGXRJL-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cn1c[nH+]cc1CN=c1cc(C(C)(C)C)o[nH]1 ZINC000347807221 136013386 /nfs/dbraw/zinc/01/33/86/136013386.db2.gz CYJDYBFZVNBJFS-UHFFFAOYSA-N 1 2 234.303 1.740 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000348016447 136021882 /nfs/dbraw/zinc/02/18/82/136021882.db2.gz YZVUONWIGGOOIP-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000335307465 136027317 /nfs/dbraw/zinc/02/73/17/136027317.db2.gz UEAATMMRQNTOKI-QMMMGPOBSA-N 1 2 207.277 1.789 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000335307465 136027318 /nfs/dbraw/zinc/02/73/18/136027318.db2.gz UEAATMMRQNTOKI-QMMMGPOBSA-N 1 2 207.277 1.789 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000335307659 136027449 /nfs/dbraw/zinc/02/74/49/136027449.db2.gz VMHJTSZTLFIASD-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000335307659 136027450 /nfs/dbraw/zinc/02/74/50/136027450.db2.gz VMHJTSZTLFIASD-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCCOCC1 ZINC000335312984 136031239 /nfs/dbraw/zinc/03/12/39/136031239.db2.gz KJZSXSQHZIFKII-UHFFFAOYSA-N 1 2 249.314 1.953 20 0 BDADLO CCC(C)(C)CC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000348077071 136034513 /nfs/dbraw/zinc/03/45/13/136034513.db2.gz QOQGELJFANDENC-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO CCc1ccc(C[NH+]2CC(n3ccnn3)C2)cn1 ZINC000348158906 136041098 /nfs/dbraw/zinc/04/10/98/136041098.db2.gz PHCCHENFEPYDKH-UHFFFAOYSA-N 1 2 243.314 1.292 20 0 BDADLO OC[C@H]1CC[C@@H](CNc2cccc[nH+]2)O1 ZINC000348213714 136045926 /nfs/dbraw/zinc/04/59/26/136045926.db2.gz ADNKAJGKRJJMDX-VHSXEESVSA-N 1 2 208.261 1.033 20 0 BDADLO CCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000335320309 136049079 /nfs/dbraw/zinc/04/90/79/136049079.db2.gz VWXAKWHTJGLFHU-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccncc1 ZINC000335326868 136052199 /nfs/dbraw/zinc/05/21/99/136052199.db2.gz DVFQUXRLXDKCSA-UHFFFAOYSA-N 1 2 227.267 1.713 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c(Cl)cnn2C)C[C@@H]1O ZINC000335328841 136052895 /nfs/dbraw/zinc/05/28/95/136052895.db2.gz KUSLMXMTAZKRQW-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C[C@@H]1O ZINC000335328841 136052896 /nfs/dbraw/zinc/05/28/96/136052896.db2.gz KUSLMXMTAZKRQW-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO O=C(Cc1ccon1)Nc1cccc2[nH+]ccn21 ZINC000348241084 136056152 /nfs/dbraw/zinc/05/61/52/136056152.db2.gz QLALPTFHTDEWRT-UHFFFAOYSA-N 1 2 242.238 1.504 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cc[nH]c1C ZINC000348252657 136057570 /nfs/dbraw/zinc/05/75/70/136057570.db2.gz AVTBHUUFHJHORM-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cccnc2)cn1 ZINC000348289304 136062671 /nfs/dbraw/zinc/06/26/71/136062671.db2.gz VGPBVLRBXHKDPQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC000348289304 136062672 /nfs/dbraw/zinc/06/26/72/136062672.db2.gz VGPBVLRBXHKDPQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cnn(C)c2)nc1 ZINC000348319463 136069274 /nfs/dbraw/zinc/06/92/74/136069274.db2.gz VCASKSYOGVIAKL-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO O[C@]1(C(F)F)CC[N@H+](Cc2ccncc2F)C1 ZINC000335355539 136071017 /nfs/dbraw/zinc/07/10/17/136071017.db2.gz XNDKQWLAWIFJEK-LLVKDONJSA-N 1 2 246.232 1.423 20 0 BDADLO O[C@]1(C(F)F)CC[N@@H+](Cc2ccncc2F)C1 ZINC000335355539 136071018 /nfs/dbraw/zinc/07/10/18/136071018.db2.gz XNDKQWLAWIFJEK-LLVKDONJSA-N 1 2 246.232 1.423 20 0 BDADLO CC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335380968 136087490 /nfs/dbraw/zinc/08/74/90/136087490.db2.gz IIYWVXIRVDXHOA-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335380968 136087491 /nfs/dbraw/zinc/08/74/91/136087491.db2.gz IIYWVXIRVDXHOA-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cn3ccccc3n2)C1 ZINC000335387485 136089524 /nfs/dbraw/zinc/08/95/24/136089524.db2.gz DZOWDSZCCLKHOY-UHFFFAOYSA-N 1 2 244.298 1.691 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2ccc(F)cn2)C1 ZINC000335394759 136091966 /nfs/dbraw/zinc/09/19/66/136091966.db2.gz IVQSJBYAEVRLFZ-UHFFFAOYSA-N 1 2 223.251 1.578 20 0 BDADLO Cc1cc(NC(=O)N2CC(C)(C(N)=O)C2)cc[nH+]1 ZINC000335394717 136092089 /nfs/dbraw/zinc/09/20/89/136092089.db2.gz HLKNKEPZKXVALH-UHFFFAOYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1cnccc1CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335364664 136095248 /nfs/dbraw/zinc/09/52/48/136095248.db2.gz DBNFIDHZUCCUHZ-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cnccc1CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000335364664 136095249 /nfs/dbraw/zinc/09/52/49/136095249.db2.gz DBNFIDHZUCCUHZ-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000335547069 136097000 /nfs/dbraw/zinc/09/70/00/136097000.db2.gz COQMFVUUUROPEM-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2CC[C@@](C)(O)C2)nn1C ZINC000335548675 136097245 /nfs/dbraw/zinc/09/72/45/136097245.db2.gz CGDIRGUFJUQYRB-LLVKDONJSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2CC[C@@](C)(O)C2)nn1C ZINC000335548675 136097246 /nfs/dbraw/zinc/09/72/46/136097246.db2.gz CGDIRGUFJUQYRB-LLVKDONJSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@H](O)C[C@H]2C)nn1C ZINC000335556668 136099721 /nfs/dbraw/zinc/09/97/21/136099721.db2.gz BHYOUYPHYMYNER-VXNVDRBHSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@H](O)C[C@H]2C)nn1C ZINC000335556668 136099722 /nfs/dbraw/zinc/09/97/22/136099722.db2.gz BHYOUYPHYMYNER-VXNVDRBHSA-N 1 2 243.738 1.337 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335558064 136099893 /nfs/dbraw/zinc/09/98/93/136099893.db2.gz KGMNSWBOCSZFNT-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1nc(N2CC(CC(F)F)C2)cc[nH+]1 ZINC000335591143 136103708 /nfs/dbraw/zinc/10/37/08/136103708.db2.gz MXCPXSPBPCXDQS-UHFFFAOYSA-N 1 2 213.231 1.876 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335560379 136106012 /nfs/dbraw/zinc/10/60/12/136106012.db2.gz UOFAAPHTQIOJLJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335560379 136106013 /nfs/dbraw/zinc/10/60/13/136106013.db2.gz UOFAAPHTQIOJLJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CC12CC2 ZINC000335570704 136109065 /nfs/dbraw/zinc/10/90/65/136109065.db2.gz VZCVQRLTHNFYLM-VIFPVBQESA-N 1 2 231.299 1.886 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335599864 136114478 /nfs/dbraw/zinc/11/44/78/136114478.db2.gz SQUAJKWQCWRTEG-SCZZXKLOSA-N 1 2 239.344 1.401 20 0 BDADLO CC[C@@H]1C[C@@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001331890457 974852614 /nfs/dbraw/zinc/85/26/14/974852614.db2.gz OQLADSMKCBSRJF-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc(C[N@H+](C[C@@H](C)O)C(C)C)s1 ZINC000680051787 487528754 /nfs/dbraw/zinc/52/87/54/487528754.db2.gz BSRRBJOOUYNBGI-SECBINFHSA-N 1 2 243.376 1.692 20 0 BDADLO CCc1nnc(C[N@@H+](C[C@@H](C)O)C(C)C)s1 ZINC000680051787 487528758 /nfs/dbraw/zinc/52/87/58/487528758.db2.gz BSRRBJOOUYNBGI-SECBINFHSA-N 1 2 243.376 1.692 20 0 BDADLO CCO[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155165486 397750122 /nfs/dbraw/zinc/75/01/22/397750122.db2.gz UEIRJLBXUDOUTL-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000155533478 397753055 /nfs/dbraw/zinc/75/30/55/397753055.db2.gz PYQFMAYAKJIZAT-NSHDSACASA-N 1 2 203.241 1.318 20 0 BDADLO CC[N@H+](Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000177008570 397839568 /nfs/dbraw/zinc/83/95/68/397839568.db2.gz DVHHBSAVSVKMRU-SNVBAGLBSA-N 1 2 243.328 1.289 20 0 BDADLO CC[N@@H+](Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000177008570 397839573 /nfs/dbraw/zinc/83/95/73/397839573.db2.gz DVHHBSAVSVKMRU-SNVBAGLBSA-N 1 2 243.328 1.289 20 0 BDADLO C[C@H]([NH2+][C@H]1CCSC1)C(=O)OC(C)(C)C ZINC000119207979 397882589 /nfs/dbraw/zinc/88/25/89/397882589.db2.gz OMAPKYXWLYNYLP-IUCAKERBSA-N 1 2 231.361 1.812 20 0 BDADLO Cn1ccc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000358918711 397942989 /nfs/dbraw/zinc/94/29/89/397942989.db2.gz WVKZGEHNQFCXRX-UHFFFAOYSA-N 1 2 244.298 1.262 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649551188 397946332 /nfs/dbraw/zinc/94/63/32/397946332.db2.gz PLXUOPKVNPMGSC-UHFFFAOYSA-N 1 2 244.342 1.800 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649551188 397946334 /nfs/dbraw/zinc/94/63/34/397946334.db2.gz PLXUOPKVNPMGSC-UHFFFAOYSA-N 1 2 244.342 1.800 20 0 BDADLO COc1nccnc1C[N@@H+]1CCS[C@H](C)C1 ZINC000449022351 397950676 /nfs/dbraw/zinc/95/06/76/397950676.db2.gz IIHPQRBKPIKMFV-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO COc1nccnc1C[N@H+]1CCS[C@H](C)C1 ZINC000449022351 397950680 /nfs/dbraw/zinc/95/06/80/397950680.db2.gz IIHPQRBKPIKMFV-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO CN(Cc1cc2n(n1)CCC2)Cc1[nH+]ccn1C ZINC000649569289 397958853 /nfs/dbraw/zinc/95/88/53/397958853.db2.gz GGWVEJZMKRJIIW-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)c1cccc[nH+]1 ZINC000270015443 397959389 /nfs/dbraw/zinc/95/93/89/397959389.db2.gz VJQMYMFQCCIOAH-QWRGUYRKSA-N 1 2 206.289 1.679 20 0 BDADLO CCc1nocc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000590605218 397905846 /nfs/dbraw/zinc/90/58/46/397905846.db2.gz FADZFODDHGOAQG-FVMDXXJSSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1nocc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000590605218 397905849 /nfs/dbraw/zinc/90/58/49/397905849.db2.gz FADZFODDHGOAQG-FVMDXXJSSA-N 1 2 244.360 1.436 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616266135 397911076 /nfs/dbraw/zinc/91/10/76/397911076.db2.gz OKBDSNVELOZNJK-KCJUWKMLSA-N 1 2 233.315 1.429 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616266135 397911078 /nfs/dbraw/zinc/91/10/78/397911078.db2.gz OKBDSNVELOZNJK-KCJUWKMLSA-N 1 2 233.315 1.429 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000649531075 397922895 /nfs/dbraw/zinc/92/28/95/397922895.db2.gz XOTKSOIMWRTTDF-CHWSQXEVSA-N 1 2 247.342 1.826 20 0 BDADLO CC(C)n1cnc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000650277643 398044959 /nfs/dbraw/zinc/04/49/59/398044959.db2.gz IDIBBSOROPITAX-UHFFFAOYSA-N 1 2 248.290 1.084 20 0 BDADLO C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000564826142 398045654 /nfs/dbraw/zinc/04/56/54/398045654.db2.gz FERBMAFGZIDTNJ-OCCSQVGLSA-N 1 2 240.391 1.923 20 0 BDADLO COCc1cc[nH+]c(NCc2c[nH]nc2C)c1 ZINC000650245000 398007281 /nfs/dbraw/zinc/00/72/81/398007281.db2.gz YDWDQPBINSFADV-UHFFFAOYSA-N 1 2 232.287 1.872 20 0 BDADLO CCc1cc(NC2CCN(OC)CC2)nc[nH+]1 ZINC000643198945 398009698 /nfs/dbraw/zinc/00/96/98/398009698.db2.gz NSWCPGRPWQDUDN-UHFFFAOYSA-N 1 2 236.319 1.477 20 0 BDADLO CCCCN(CCO)c1cc[nH+]c(C)n1 ZINC000054937146 398019833 /nfs/dbraw/zinc/01/98/33/398019833.db2.gz VPQTVBFAPUDATH-UHFFFAOYSA-N 1 2 209.293 1.384 20 0 BDADLO Cc1nc(NC2CC(C)(C)C2)nc(N)[nH+]1 ZINC000395413844 398021215 /nfs/dbraw/zinc/02/12/15/398021215.db2.gz MLJWEEUKNUUJNB-UHFFFAOYSA-N 1 2 207.281 1.193 20 0 BDADLO Cc1nc(N)nc(NC2CC(C)(C)C2)[nH+]1 ZINC000395413844 398021218 /nfs/dbraw/zinc/02/12/18/398021218.db2.gz MLJWEEUKNUUJNB-UHFFFAOYSA-N 1 2 207.281 1.193 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000277548480 398031460 /nfs/dbraw/zinc/03/14/60/398031460.db2.gz QVGTWBUZQVGXSI-QFYYESIMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)o1 ZINC000277548480 398031464 /nfs/dbraw/zinc/03/14/64/398031464.db2.gz QVGTWBUZQVGXSI-QFYYESIMSA-N 1 2 241.356 1.788 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000649700736 398049247 /nfs/dbraw/zinc/04/92/47/398049247.db2.gz KZEPIMVFNKCRRU-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000649700736 398049250 /nfs/dbraw/zinc/04/92/50/398049250.db2.gz KZEPIMVFNKCRRU-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccns1 ZINC000637930111 398042546 /nfs/dbraw/zinc/04/25/46/398042546.db2.gz KMWSRHRKGDXDNC-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccns1 ZINC000637930111 398042548 /nfs/dbraw/zinc/04/25/48/398042548.db2.gz KMWSRHRKGDXDNC-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCCOC1)n1cc[nH+]c1 ZINC000649695658 398043598 /nfs/dbraw/zinc/04/35/98/398043598.db2.gz DAOBWCKBDZLPAI-WDEREUQCSA-N 1 2 237.303 1.129 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000595302857 397987216 /nfs/dbraw/zinc/98/72/16/397987216.db2.gz MIWWXQMETSYNPQ-DTWKUNHWSA-N 1 2 249.257 1.048 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000595302857 397987218 /nfs/dbraw/zinc/98/72/18/397987218.db2.gz MIWWXQMETSYNPQ-DTWKUNHWSA-N 1 2 249.257 1.048 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCCC[C@@H]2C(F)F)N1 ZINC000649600432 397988614 /nfs/dbraw/zinc/98/86/14/397988614.db2.gz IJUMLCLTTMJETF-DTWKUNHWSA-N 1 2 232.274 1.385 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C(F)F)N1 ZINC000649600432 397988616 /nfs/dbraw/zinc/98/86/16/397988616.db2.gz IJUMLCLTTMJETF-DTWKUNHWSA-N 1 2 232.274 1.385 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1CC ZINC000649718080 398059381 /nfs/dbraw/zinc/05/93/81/398059381.db2.gz RPFDMAKFJKYJTM-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000649718080 398059383 /nfs/dbraw/zinc/05/93/83/398059383.db2.gz RPFDMAKFJKYJTM-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H](CC)CO)s1 ZINC000649725295 398066965 /nfs/dbraw/zinc/06/69/65/398066965.db2.gz SCEOURPGLFAKHX-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H](CC)CO)s1 ZINC000649725295 398066970 /nfs/dbraw/zinc/06/69/70/398066970.db2.gz SCEOURPGLFAKHX-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)no2)[C@H](C)CO1 ZINC000649732230 398072507 /nfs/dbraw/zinc/07/25/07/398072507.db2.gz UTPLWIKHKRMMHF-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)no2)[C@H](C)CO1 ZINC000649732230 398072510 /nfs/dbraw/zinc/07/25/10/398072510.db2.gz UTPLWIKHKRMMHF-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC000292060425 398079427 /nfs/dbraw/zinc/07/94/27/398079427.db2.gz SAPYUEHTNWWJSJ-JTQLQIEISA-N 1 2 236.319 1.504 20 0 BDADLO CC(C)OC1CC([NH2+]CC(F)(F)CO)C1 ZINC000189582657 398057857 /nfs/dbraw/zinc/05/78/57/398057857.db2.gz RAJQCVZDVOQAQE-UHFFFAOYSA-N 1 2 223.263 1.160 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC2(C)C)ncn1 ZINC000292227885 398103720 /nfs/dbraw/zinc/10/37/20/398103720.db2.gz RHTFFBCPOFHMRM-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC2(C)C)ncn1 ZINC000292227885 398103723 /nfs/dbraw/zinc/10/37/23/398103723.db2.gz RHTFFBCPOFHMRM-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCC(F)(F)C1 ZINC000650320012 398107835 /nfs/dbraw/zinc/10/78/35/398107835.db2.gz CXRRVSSPMFZQQT-UHFFFAOYSA-N 1 2 243.257 1.531 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CCC(C)(O)CC1 ZINC000160866521 398119115 /nfs/dbraw/zinc/11/91/15/398119115.db2.gz DCUXTKHQCVMOQA-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1ccn(CC(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC000649211808 398129471 /nfs/dbraw/zinc/12/94/71/398129471.db2.gz WYCGLSSDFQFAHT-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO CC1(C)C[N@H+](CC(=O)NCC2CCC2)CCO1 ZINC000066494157 398122773 /nfs/dbraw/zinc/12/27/73/398122773.db2.gz AYCOYICBOLEEDF-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)NCC2CCC2)CCO1 ZINC000066494157 398122777 /nfs/dbraw/zinc/12/27/77/398122777.db2.gz AYCOYICBOLEEDF-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C1CC1)C1CC1 ZINC000547864055 398133774 /nfs/dbraw/zinc/13/37/74/398133774.db2.gz GQQXFKPWFJJZFP-UHFFFAOYSA-N 1 2 233.315 1.267 20 0 BDADLO COC(=O)[C@H](CC(F)F)[NH2+]C[C@@H]1C[C@@H]1C ZINC000336763782 173794619 /nfs/dbraw/zinc/79/46/19/173794619.db2.gz PFQJBHTWOMWKIE-FXQIFTODSA-N 1 2 221.247 1.429 20 0 BDADLO COCCOCC[N@@H+](C)Cc1cscn1 ZINC000175598153 174351539 /nfs/dbraw/zinc/35/15/39/174351539.db2.gz WZBZRRKCOPIPGM-UHFFFAOYSA-N 1 2 230.333 1.238 20 0 BDADLO O=C(c1cccs1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785489 487574429 /nfs/dbraw/zinc/57/44/29/487574429.db2.gz NVBMVMIKYXBURT-UHFFFAOYSA-N 1 2 233.296 1.670 20 0 BDADLO O=C(c1cccs1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785489 487574436 /nfs/dbraw/zinc/57/44/36/487574436.db2.gz NVBMVMIKYXBURT-UHFFFAOYSA-N 1 2 233.296 1.670 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1(C2CCC2)CCC1 ZINC000517311009 322900004 /nfs/dbraw/zinc/90/00/04/322900004.db2.gz AKMOFLCKTCWSAW-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000685843232 487586701 /nfs/dbraw/zinc/58/67/01/487586701.db2.gz VJSXDXZBYYEPTL-SECBINFHSA-N 1 2 245.273 1.922 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](Cc2ccncc2)CCO1 ZINC000662375268 487589115 /nfs/dbraw/zinc/58/91/15/487589115.db2.gz NSOVVOSCKSQLOC-GFCCVEGCSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](Cc2ccncc2)CCO1 ZINC000662375268 487589124 /nfs/dbraw/zinc/58/91/24/487589124.db2.gz NSOVVOSCKSQLOC-GFCCVEGCSA-N 1 2 242.269 1.938 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](n3cccn3)C2)co1 ZINC000585640477 487591374 /nfs/dbraw/zinc/59/13/74/487591374.db2.gz LPJGEUMVFUYUCC-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](n3cccn3)C2)co1 ZINC000585640477 487591380 /nfs/dbraw/zinc/59/13/80/487591380.db2.gz LPJGEUMVFUYUCC-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO O=C(NCC(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000674567756 487596332 /nfs/dbraw/zinc/59/63/32/487596332.db2.gz DRESHHBUKCYJGZ-UHFFFAOYSA-N 1 2 240.213 1.721 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CCC1 ZINC000661412759 487598556 /nfs/dbraw/zinc/59/85/56/487598556.db2.gz JBKABMPYGYUREH-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CCC1 ZINC000661412759 487598561 /nfs/dbraw/zinc/59/85/61/487598561.db2.gz JBKABMPYGYUREH-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO O[C@H]1CC[N@H+](CCCCF)CC1(F)F ZINC000661413403 487600978 /nfs/dbraw/zinc/60/09/78/487600978.db2.gz NKOXYFGEHMJHMK-QMMMGPOBSA-N 1 2 211.227 1.438 20 0 BDADLO O[C@H]1CC[N@@H+](CCCCF)CC1(F)F ZINC000661413403 487600981 /nfs/dbraw/zinc/60/09/81/487600981.db2.gz NKOXYFGEHMJHMK-QMMMGPOBSA-N 1 2 211.227 1.438 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668823961 487605890 /nfs/dbraw/zinc/60/58/90/487605890.db2.gz CXEVKTDTVCGZTJ-NSHDSACASA-N 1 2 245.273 1.574 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668823961 487605891 /nfs/dbraw/zinc/60/58/91/487605891.db2.gz CXEVKTDTVCGZTJ-NSHDSACASA-N 1 2 245.273 1.574 20 0 BDADLO CC(C)SCC[N@H+](C)Cc1nnc[nH]1 ZINC000336673639 167322354 /nfs/dbraw/zinc/32/23/54/167322354.db2.gz AZKVCBJTGXXSOG-UHFFFAOYSA-N 1 2 214.338 1.378 20 0 BDADLO CC(C)SCC[N@@H+](C)Cc1nnc[nH]1 ZINC000336673639 167322358 /nfs/dbraw/zinc/32/23/58/167322358.db2.gz AZKVCBJTGXXSOG-UHFFFAOYSA-N 1 2 214.338 1.378 20 0 BDADLO c1coc([C@@H]2C[N@H+]([C@H]3CCCOC3)CCO2)c1 ZINC000674695198 487607263 /nfs/dbraw/zinc/60/72/63/487607263.db2.gz RFWCTBUHLVNLBW-AAEUAGOBSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)c1 ZINC000674695198 487607268 /nfs/dbraw/zinc/60/72/68/487607268.db2.gz RFWCTBUHLVNLBW-AAEUAGOBSA-N 1 2 237.299 1.832 20 0 BDADLO CC(C)SCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000338314322 167327282 /nfs/dbraw/zinc/32/72/82/167327282.db2.gz KJIGJFRQBWUMQU-YGRLFVJLSA-N 1 2 235.418 1.581 20 0 BDADLO CC(C)SCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000338314322 167327283 /nfs/dbraw/zinc/32/72/83/167327283.db2.gz KJIGJFRQBWUMQU-YGRLFVJLSA-N 1 2 235.418 1.581 20 0 BDADLO CCn1nncc1C[N@H+](C)CC1=CCSC1 ZINC000662266287 409564797 /nfs/dbraw/zinc/56/47/97/409564797.db2.gz GOYUHKQKJBPUMN-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO CCn1nncc1C[N@@H+](C)CC1=CCSC1 ZINC000662266287 409564803 /nfs/dbraw/zinc/56/48/03/409564803.db2.gz GOYUHKQKJBPUMN-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC=CC1 ZINC000655227256 409641190 /nfs/dbraw/zinc/64/11/90/409641190.db2.gz HUZJQLJUKWAPDA-JTQLQIEISA-N 1 2 233.315 1.813 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC=CC1 ZINC000655227256 409641197 /nfs/dbraw/zinc/64/11/97/409641197.db2.gz HUZJQLJUKWAPDA-JTQLQIEISA-N 1 2 233.315 1.813 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC12CCC2 ZINC000675322396 487610910 /nfs/dbraw/zinc/61/09/10/487610910.db2.gz AYVBXXXZOFGIFJ-VIFPVBQESA-N 1 2 219.288 1.227 20 0 BDADLO CCC1(CNC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000660809807 409778388 /nfs/dbraw/zinc/77/83/88/409778388.db2.gz UKJXTTYGVIXWNI-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CCC1(CNC(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000660809807 409778398 /nfs/dbraw/zinc/77/83/98/409778398.db2.gz UKJXTTYGVIXWNI-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655294865 409834484 /nfs/dbraw/zinc/83/44/84/409834484.db2.gz OUYCVIPRGNGSQK-SDDRHHMPSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660927535 409976534 /nfs/dbraw/zinc/97/65/34/409976534.db2.gz AAUOKAWYWSBCLY-UWVGGRQHSA-N 1 2 207.277 1.752 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660927535 409976543 /nfs/dbraw/zinc/97/65/43/409976543.db2.gz AAUOKAWYWSBCLY-UWVGGRQHSA-N 1 2 207.277 1.752 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000674752781 487613105 /nfs/dbraw/zinc/61/31/05/487613105.db2.gz JSGUZYPLSRBEBD-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000674752781 487613108 /nfs/dbraw/zinc/61/31/08/487613108.db2.gz JSGUZYPLSRBEBD-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO C[C@H](C1CC1)N(C)c1[nH+]cnc2c1cnn2C ZINC000057547709 410184975 /nfs/dbraw/zinc/18/49/75/410184975.db2.gz OZCAXVGQOIJOOK-MRVPVSSYSA-N 1 2 231.303 1.598 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)co1 ZINC000661169374 410316127 /nfs/dbraw/zinc/31/61/27/410316127.db2.gz AWDUXEVBJBLKGU-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)co1 ZINC000661169374 410316131 /nfs/dbraw/zinc/31/61/31/410316131.db2.gz AWDUXEVBJBLKGU-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@](C)(C2CC2)C1 ZINC000661171879 410318324 /nfs/dbraw/zinc/31/83/24/410318324.db2.gz ZABBHEVPSLGNOJ-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)NC(=O)CNc1cc[nH+]c2ccncc12 ZINC000085653216 410466228 /nfs/dbraw/zinc/46/62/28/410466228.db2.gz VSSLBUXCMHUHCQ-UHFFFAOYSA-N 1 2 244.298 1.566 20 0 BDADLO Cc1cnc(NCc2c[nH+]cn2C)nc1 ZINC000290730438 410521535 /nfs/dbraw/zinc/52/15/35/410521535.db2.gz AYWXRAAZYQVHHI-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H](O)C23CCC3)cc[nH+]1 ZINC000664467462 410587889 /nfs/dbraw/zinc/58/78/89/410587889.db2.gz RWFRDMAQZXGRNU-ZJUUUORDSA-N 1 2 219.288 1.500 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H]2COC[C@@H]2C1 ZINC000664553903 410599800 /nfs/dbraw/zinc/59/98/00/410599800.db2.gz RISOWPVBUAFNNV-QWRGUYRKSA-N 1 2 249.314 1.266 20 0 BDADLO CC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650983129 410672441 /nfs/dbraw/zinc/67/24/41/410672441.db2.gz SSOSRYZDUWCSKI-SNVBAGLBSA-N 1 2 235.331 1.677 20 0 BDADLO CCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399032 410612588 /nfs/dbraw/zinc/61/25/88/410612588.db2.gz HYHORFRUTNCGQG-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399032 410612593 /nfs/dbraw/zinc/61/25/93/410612593.db2.gz HYHORFRUTNCGQG-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC000661405113 410617719 /nfs/dbraw/zinc/61/77/19/410617719.db2.gz BQLPPCFXIUIBOS-GMTAPVOTSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC000661405113 410617722 /nfs/dbraw/zinc/61/77/22/410617722.db2.gz BQLPPCFXIUIBOS-GMTAPVOTSA-N 1 2 249.301 1.503 20 0 BDADLO CCCCNC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661423788 410642499 /nfs/dbraw/zinc/64/24/99/410642499.db2.gz MXEWNOWZJSFWKD-VIFPVBQESA-N 1 2 241.360 1.710 20 0 BDADLO C/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000624656534 410675669 /nfs/dbraw/zinc/67/56/69/410675669.db2.gz SUBJEAZTDSJCEG-AATRIKPKSA-N 1 2 207.281 1.234 20 0 BDADLO C/C=C/CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000624656534 410675674 /nfs/dbraw/zinc/67/56/74/410675674.db2.gz SUBJEAZTDSJCEG-AATRIKPKSA-N 1 2 207.281 1.234 20 0 BDADLO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000661518163 410723573 /nfs/dbraw/zinc/72/35/73/410723573.db2.gz AAERKYDJILGTRG-GZMMTYOYSA-N 1 2 244.298 1.328 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000661528746 410727022 /nfs/dbraw/zinc/72/70/22/410727022.db2.gz JHMDPDHVPVAXMH-SECBINFHSA-N 1 2 213.281 1.235 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000661528746 410727025 /nfs/dbraw/zinc/72/70/25/410727025.db2.gz JHMDPDHVPVAXMH-SECBINFHSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CC[C@H](C)O2)o1 ZINC000661529346 410729548 /nfs/dbraw/zinc/72/95/48/410729548.db2.gz VZFWVSAEFMKUQY-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CC[C@H](C)O2)o1 ZINC000661529346 410729553 /nfs/dbraw/zinc/72/95/53/410729553.db2.gz VZFWVSAEFMKUQY-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000120437996 410751956 /nfs/dbraw/zinc/75/19/56/410751956.db2.gz HJYLKEABRBTKJQ-JLLWLGSASA-N 1 2 247.298 1.831 20 0 BDADLO CCc1cc(NC[C@@H](OC)[C@H](C)CC)nc[nH+]1 ZINC000394454643 410798535 /nfs/dbraw/zinc/79/85/35/410798535.db2.gz IMDXITJTGZYGRE-ZYHUDNBSSA-N 1 2 237.347 1.934 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@@H](C)C(F)F ZINC000394818550 410823993 /nfs/dbraw/zinc/82/39/93/410823993.db2.gz DPRQIWKYVXYOKP-ZETCQYMHSA-N 1 2 203.236 1.472 20 0 BDADLO C[C@H]1C[C@H](NC(=O)NC2CC=CC2)c2[nH+]ccn21 ZINC000651138241 410831683 /nfs/dbraw/zinc/83/16/83/410831683.db2.gz BHSLGIDMNKESCH-ONGXEEELSA-N 1 2 246.314 1.907 20 0 BDADLO C[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000040864076 410896549 /nfs/dbraw/zinc/89/65/49/410896549.db2.gz QLUCFEZSFIKKLZ-SNVBAGLBSA-N 1 2 206.289 1.810 20 0 BDADLO CC(C)N1CC[C@H](Nc2cccc[nH+]2)C1=O ZINC000265114145 167025934 /nfs/dbraw/zinc/02/59/34/167025934.db2.gz IEPKTHIHKCFCLP-JTQLQIEISA-N 1 2 219.288 1.503 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1CCC1 ZINC000651286423 410900749 /nfs/dbraw/zinc/90/07/49/410900749.db2.gz UYRIJZDAZTUVEB-UHFFFAOYSA-N 1 2 233.315 1.431 20 0 BDADLO CC(C)ONC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000294247413 167278320 /nfs/dbraw/zinc/27/83/20/167278320.db2.gz WKRHGQGQBSALDY-UHFFFAOYSA-N 1 2 246.270 1.337 20 0 BDADLO CC(C)ONC(=O)c1ccc2[nH+]ccn2c1 ZINC000295531240 167278700 /nfs/dbraw/zinc/27/87/00/167278700.db2.gz JOONDXIBVZNEDT-UHFFFAOYSA-N 1 2 219.244 1.404 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cnc[nH]2)ccc1O ZINC000179943922 410911613 /nfs/dbraw/zinc/91/16/13/410911613.db2.gz PHONAGRGVYZCON-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cnc[nH]2)ccc1O ZINC000179943922 410911616 /nfs/dbraw/zinc/91/16/16/410911616.db2.gz PHONAGRGVYZCON-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1cc(C[N@H+](C)Cc2c[nH]cn2)ccc1O ZINC000179943922 410911627 /nfs/dbraw/zinc/91/16/27/410911627.db2.gz PHONAGRGVYZCON-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2c[nH]cn2)ccc1O ZINC000179943922 410911630 /nfs/dbraw/zinc/91/16/30/410911630.db2.gz PHONAGRGVYZCON-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000265005388 167351340 /nfs/dbraw/zinc/35/13/40/167351340.db2.gz BTFOIMDAOVFNJN-LLVKDONJSA-N 1 2 235.331 1.902 20 0 BDADLO CC(C)[C@@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000264329818 167357777 /nfs/dbraw/zinc/35/77/77/167357777.db2.gz SMFPZRCNAMSMMO-JTQLQIEISA-N 1 2 223.320 1.719 20 0 BDADLO CCc1cc(NCC[C@H](C)CCO)nc[nH+]1 ZINC000397871993 410938551 /nfs/dbraw/zinc/93/85/51/410938551.db2.gz JHTSKNWTEHVCFO-JTQLQIEISA-N 1 2 223.320 1.281 20 0 BDADLO CC(C)[C@@H](C)SCC(=O)N1CC[NH+](C)CC1 ZINC000340697117 167387174 /nfs/dbraw/zinc/38/71/74/167387174.db2.gz PJRXTNMWWOEKEZ-LLVKDONJSA-N 1 2 244.404 1.538 20 0 BDADLO O=C(Cc1ccsc1)NCCn1cc[nH+]c1 ZINC000041904806 410942916 /nfs/dbraw/zinc/94/29/16/410942916.db2.gz QTQDXOOATGDGCF-UHFFFAOYSA-N 1 2 235.312 1.304 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)[C@@H](O)C(F)F ZINC000651398789 410980886 /nfs/dbraw/zinc/98/08/86/410980886.db2.gz ZXLYGFBDMCVRRQ-JMOVZRAMSA-N 1 2 247.289 1.773 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)[C@@H](C)CO1 ZINC000651405585 410989011 /nfs/dbraw/zinc/98/90/11/410989011.db2.gz UDSOWYVMGRXXLN-QWRGUYRKSA-N 1 2 221.304 1.789 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)C(C)(C)O)n1cc[nH+]c1 ZINC000651423397 411009748 /nfs/dbraw/zinc/00/97/48/411009748.db2.gz NYQFWECMERPCCA-ZJUUUORDSA-N 1 2 239.319 1.110 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000644794024 411066916 /nfs/dbraw/zinc/06/69/16/411066916.db2.gz HMJIBCJKVZUTDA-ZJUUUORDSA-N 1 2 231.299 1.114 20 0 BDADLO CCc1cc(N[C@H](CO)CCF)nc[nH+]1 ZINC000651461626 411044343 /nfs/dbraw/zinc/04/43/43/411044343.db2.gz DFTCEFRSJDDTOM-VIFPVBQESA-N 1 2 213.256 1.171 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651596373 411127957 /nfs/dbraw/zinc/12/79/57/411127957.db2.gz HIAFWAVFPZWBRI-GHMZBOCLSA-N 1 2 246.310 1.974 20 0 BDADLO CC[C@H]1C[N@H+](Cc2n[nH]cc2C)[C@@H](C)CO1 ZINC000651931813 411150849 /nfs/dbraw/zinc/15/08/49/411150849.db2.gz DBHRCHDUXVSERL-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2n[nH]cc2C)[C@@H](C)CO1 ZINC000651931813 411150850 /nfs/dbraw/zinc/15/08/50/411150850.db2.gz DBHRCHDUXVSERL-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@H+](Cc2[nH]ncc2C)[C@@H](C)CO1 ZINC000651931813 411150851 /nfs/dbraw/zinc/15/08/51/411150851.db2.gz DBHRCHDUXVSERL-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2[nH]ncc2C)[C@@H](C)CO1 ZINC000651931813 411150852 /nfs/dbraw/zinc/15/08/52/411150852.db2.gz DBHRCHDUXVSERL-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC1(C)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651931815 411150944 /nfs/dbraw/zinc/15/09/44/411150944.db2.gz DCDJPKRHIDWMHA-UHFFFAOYSA-N 1 2 247.342 1.630 20 0 BDADLO CC(C)c1nc(NC[C@@]2(O)CCC[C@@H]2C)cc[nH+]1 ZINC000338806436 167686772 /nfs/dbraw/zinc/68/67/72/167686772.db2.gz AJEZAFWFXLTEES-FZMZJTMJSA-N 1 2 249.358 1.985 20 0 BDADLO CC(C)c1nc(N[C@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000302741455 167688545 /nfs/dbraw/zinc/68/85/45/167688545.db2.gz DAQDDZXKNCFCRO-JTQLQIEISA-N 1 2 248.330 1.633 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CO[C@@H](C)C2)c1 ZINC000652067729 411103298 /nfs/dbraw/zinc/10/32/98/411103298.db2.gz DVGZUPSHHYNQBM-ONGXEEELSA-N 1 2 222.288 1.817 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)Cn2cccn2)c1 ZINC000652067796 411104699 /nfs/dbraw/zinc/10/46/99/411104699.db2.gz HWNJGUXZUJDBHL-LLVKDONJSA-N 1 2 246.314 1.925 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+]1CCn2nncc2C1 ZINC000653793064 411179751 /nfs/dbraw/zinc/17/97/51/411179751.db2.gz BDNZCMLNMIJQCU-LBPRGKRZSA-N 1 2 238.335 1.155 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+]1CCn2nncc2C1 ZINC000653793064 411179756 /nfs/dbraw/zinc/17/97/56/411179756.db2.gz BDNZCMLNMIJQCU-LBPRGKRZSA-N 1 2 238.335 1.155 20 0 BDADLO COC[C@@H](C)CNc1nc[nH+]c(C)c1OC ZINC000656112337 411181835 /nfs/dbraw/zinc/18/18/35/411181835.db2.gz LBSQTKGZYGPMAX-QMMMGPOBSA-N 1 2 225.292 1.488 20 0 BDADLO C[C@@H](CC(=O)N1CC(C2CC2)C1)n1cc[nH+]c1 ZINC000652266221 411183366 /nfs/dbraw/zinc/18/33/66/411183366.db2.gz ZHZRJTZRVNWRHA-JTQLQIEISA-N 1 2 233.315 1.703 20 0 BDADLO COc1c(C)[nH+]cnc1NCC(C)(C)CCO ZINC000656133793 411184785 /nfs/dbraw/zinc/18/47/85/411184785.db2.gz VIQKQNMOMLGJOL-UHFFFAOYSA-N 1 2 239.319 1.614 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ncoc1C ZINC000656151438 411186703 /nfs/dbraw/zinc/18/67/03/411186703.db2.gz RVLJRWOZBGNTJQ-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCO[C@H](C)C1 ZINC000656151846 411187602 /nfs/dbraw/zinc/18/76/02/411187602.db2.gz LDLJHLKKDLSRBR-SCZZXKLOSA-N 1 2 237.303 1.773 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C)o2)[C@H]1OC ZINC000300713408 411189069 /nfs/dbraw/zinc/18/90/69/411189069.db2.gz HKIKQDKCCZGQAC-HOSYDEDBSA-N 1 2 240.303 1.265 20 0 BDADLO COc1c(C)[nH+]cnc1NCCc1ccn(C)n1 ZINC000656160191 411190525 /nfs/dbraw/zinc/19/05/25/411190525.db2.gz MWCJQSATTJBXOA-UHFFFAOYSA-N 1 2 247.302 1.182 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC1(CO)CC1 ZINC000656175288 411192611 /nfs/dbraw/zinc/19/26/11/411192611.db2.gz UVVKADVWXABRAF-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C(F)F)C1 ZINC000656184737 411196073 /nfs/dbraw/zinc/19/60/73/411196073.db2.gz IRKQVXSCOVKBKK-LURJTMIESA-N 1 2 244.245 1.159 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C(F)F)C1 ZINC000656184737 411196076 /nfs/dbraw/zinc/19/60/76/411196076.db2.gz IRKQVXSCOVKBKK-LURJTMIESA-N 1 2 244.245 1.159 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1ccccc1CO ZINC000062253992 411197868 /nfs/dbraw/zinc/19/78/68/411197868.db2.gz JZEXHTVMSKDNJY-UHFFFAOYSA-N 1 2 231.299 1.549 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)N2CC(C)(C)C2)c2[nH+]ccn21 ZINC000656199210 411202045 /nfs/dbraw/zinc/20/20/45/411202045.db2.gz UICXHSQLXYXTKH-VHSXEESVSA-N 1 2 248.330 1.940 20 0 BDADLO c1cc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000658024601 411202843 /nfs/dbraw/zinc/20/28/43/411202843.db2.gz MNOIAXPQYFGIJF-GHMZBOCLSA-N 1 2 243.314 1.649 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCN(C)C(=O)C1 ZINC000656203574 411207999 /nfs/dbraw/zinc/20/79/99/411207999.db2.gz QTNADNQEOZVHKS-NSHDSACASA-N 1 2 248.330 1.374 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CO[C@@H](C)C1 ZINC000656204433 411208757 /nfs/dbraw/zinc/20/87/57/411208757.db2.gz UVLGXNUJFVNTIH-CBAPKCEASA-N 1 2 223.276 1.383 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[C@@H]3C)cn2c1 ZINC000048747823 411213457 /nfs/dbraw/zinc/21/34/57/411213457.db2.gz SSONDXIDLQAXRT-CMPLNLGQSA-N 1 2 243.310 1.915 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659293429 411214541 /nfs/dbraw/zinc/21/45/41/411214541.db2.gz DHQJBRMXQISWEA-SCZZXKLOSA-N 1 2 235.287 1.417 20 0 BDADLO CCn1c[nH+]cc1CN1CC2(CC2(F)F)C1 ZINC000656265290 411220070 /nfs/dbraw/zinc/22/00/70/411220070.db2.gz HEOFHDVVBLJQRD-UHFFFAOYSA-N 1 2 227.258 1.744 20 0 BDADLO CCn1cncc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265290 411220074 /nfs/dbraw/zinc/22/00/74/411220074.db2.gz HEOFHDVVBLJQRD-UHFFFAOYSA-N 1 2 227.258 1.744 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000656269879 411220519 /nfs/dbraw/zinc/22/05/19/411220519.db2.gz UZHHQWVHLCZQFC-OPRDCNLKSA-N 1 2 236.319 1.402 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@H](C)c1nc(C)no1 ZINC000656277138 411227448 /nfs/dbraw/zinc/22/74/48/411227448.db2.gz AOUXUVILWALDAE-SECBINFHSA-N 1 2 249.318 1.787 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000658061008 411228373 /nfs/dbraw/zinc/22/83/73/411228373.db2.gz ZKIQTCJLHDGKPG-WCBMZHEXSA-N 1 2 223.320 1.936 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)ncn1 ZINC000652412033 411234095 /nfs/dbraw/zinc/23/40/95/411234095.db2.gz IAFWXGYTPIEZFM-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO Cn1cc[nH+]c1-c1ccccc1OCCCO ZINC000656371578 411235843 /nfs/dbraw/zinc/23/58/43/411235843.db2.gz JASSZDWNVQRBHA-UHFFFAOYSA-N 1 2 232.283 1.848 20 0 BDADLO C[N@H+](Cc1nnn(C(C)(C)C)n1)C(C)(C)C ZINC000653777577 411167083 /nfs/dbraw/zinc/16/70/83/411167083.db2.gz PVSRPGAZQQACSQ-UHFFFAOYSA-N 1 2 225.340 1.658 20 0 BDADLO C[N@@H+](Cc1nnn(C(C)(C)C)n1)C(C)(C)C ZINC000653777577 411167084 /nfs/dbraw/zinc/16/70/84/411167084.db2.gz PVSRPGAZQQACSQ-UHFFFAOYSA-N 1 2 225.340 1.658 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649207986 411264944 /nfs/dbraw/zinc/26/49/44/411264944.db2.gz JDWFFFUCBQTXKJ-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CC[C@@H]1CC[C@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156919 411269956 /nfs/dbraw/zinc/26/99/56/411269956.db2.gz MXYAHFKGWKSDIC-RKDXNWHRSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)[nH]1 ZINC000658158307 411271406 /nfs/dbraw/zinc/27/14/06/411271406.db2.gz XWFGTNJQJWIFAT-XHNCKOQMSA-N 1 2 224.308 1.085 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)C(C)C)[nH]1 ZINC000658162312 411274891 /nfs/dbraw/zinc/27/48/91/411274891.db2.gz SJZFYIZBHNNZIU-QMMMGPOBSA-N 1 2 212.297 1.085 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000656453281 411275751 /nfs/dbraw/zinc/27/57/51/411275751.db2.gz UMMSNWUVSVMBLU-BWZBUEFSSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000656453281 411275753 /nfs/dbraw/zinc/27/57/53/411275753.db2.gz UMMSNWUVSVMBLU-BWZBUEFSSA-N 1 2 227.226 1.019 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCc1cn[nH]c1 ZINC000656482885 411281470 /nfs/dbraw/zinc/28/14/70/411281470.db2.gz YFYCKZUCTXILRG-VIFPVBQESA-N 1 2 215.247 1.682 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCc1cn[nH]c1 ZINC000656482885 411281471 /nfs/dbraw/zinc/28/14/71/411281471.db2.gz YFYCKZUCTXILRG-VIFPVBQESA-N 1 2 215.247 1.682 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716275 411285799 /nfs/dbraw/zinc/28/57/99/411285799.db2.gz XXZDKPCQWBKSJY-GMOODISLSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716275 411285803 /nfs/dbraw/zinc/28/58/03/411285803.db2.gz XXZDKPCQWBKSJY-GMOODISLSA-N 1 2 249.314 1.465 20 0 BDADLO Cn1ccc(C[NH+]2CC(CC(F)(F)F)C2)n1 ZINC000656686638 411329022 /nfs/dbraw/zinc/32/90/22/411329022.db2.gz SSMRYTMTDPWUBH-UHFFFAOYSA-N 1 2 233.237 1.804 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@]12C[C@@H]1CCC2 ZINC000656540322 411293552 /nfs/dbraw/zinc/29/35/52/411293552.db2.gz ZSMLQKWVLDYFPH-AAEUAGOBSA-N 1 2 248.330 1.515 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCn3ccnc32)[nH]n1 ZINC000655722370 411295577 /nfs/dbraw/zinc/29/55/77/411295577.db2.gz DLUVBNGTWJMWOP-NSHDSACASA-N 1 2 231.303 1.539 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC000656559525 411303177 /nfs/dbraw/zinc/30/31/77/411303177.db2.gz PYMKHOODBIKPNJ-JTQLQIEISA-N 1 2 248.286 1.556 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC000656559645 411303453 /nfs/dbraw/zinc/30/34/53/411303453.db2.gz VCRYHXWOCXLVAS-JTQLQIEISA-N 1 2 248.286 1.556 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2ccco2)C1=O ZINC000659816965 411303996 /nfs/dbraw/zinc/30/39/96/411303996.db2.gz VVSCNGWEUXDGPW-NSHDSACASA-N 1 2 222.288 1.332 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000659816965 411303999 /nfs/dbraw/zinc/30/39/99/411303999.db2.gz VVSCNGWEUXDGPW-NSHDSACASA-N 1 2 222.288 1.332 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660246883 411305853 /nfs/dbraw/zinc/30/58/53/411305853.db2.gz REIFSIFBDYVRAQ-UWVGGRQHSA-N 1 2 238.335 1.969 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC2CCC1CC2 ZINC000311172107 411331973 /nfs/dbraw/zinc/33/19/73/411331973.db2.gz RFYJEZGSSJBGLZ-MCIGGMRASA-N 1 2 247.342 1.895 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402820051 411318090 /nfs/dbraw/zinc/31/80/90/411318090.db2.gz PYXPTMGAPSWLLQ-JFGNBEQYSA-N 1 2 231.299 1.628 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402820051 411318095 /nfs/dbraw/zinc/31/80/95/411318095.db2.gz PYXPTMGAPSWLLQ-JFGNBEQYSA-N 1 2 231.299 1.628 20 0 BDADLO COCC1(CNC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000654025992 411319593 /nfs/dbraw/zinc/31/95/93/411319593.db2.gz XGJLUVFPAXEEDD-UHFFFAOYSA-N 1 2 249.314 1.360 20 0 BDADLO Fc1c[nH+]ccc1NCc1cnn2c1CCC2 ZINC000656772829 411354818 /nfs/dbraw/zinc/35/48/18/411354818.db2.gz XTIGHBBSPQBDOA-UHFFFAOYSA-N 1 2 232.262 1.397 20 0 BDADLO Fc1c[nH+]ccc1NCc1cc2n(n1)CCC2 ZINC000656771751 411364987 /nfs/dbraw/zinc/36/49/87/411364987.db2.gz CSMYNFKUBMLDPN-UHFFFAOYSA-N 1 2 232.262 1.397 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](C)[C@](C)(CO)C2)no1 ZINC000662145599 411368030 /nfs/dbraw/zinc/36/80/30/411368030.db2.gz YICQQLCYYBDBDW-AUTRQRHGSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H](C)[C@](C)(CO)C2)no1 ZINC000662145599 411368032 /nfs/dbraw/zinc/36/80/32/411368032.db2.gz YICQQLCYYBDBDW-AUTRQRHGSA-N 1 2 239.319 1.389 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661967737 411335318 /nfs/dbraw/zinc/33/53/18/411335318.db2.gz FLYRYMPOANABBF-IUCAKERBSA-N 1 2 223.276 1.058 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661967737 411335321 /nfs/dbraw/zinc/33/53/21/411335321.db2.gz FLYRYMPOANABBF-IUCAKERBSA-N 1 2 223.276 1.058 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661967939 411335495 /nfs/dbraw/zinc/33/54/95/411335495.db2.gz RXWZFHVCGAZHBU-UWVGGRQHSA-N 1 2 234.347 1.944 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661967939 411335496 /nfs/dbraw/zinc/33/54/96/411335496.db2.gz RXWZFHVCGAZHBU-UWVGGRQHSA-N 1 2 234.347 1.944 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660593299 411344903 /nfs/dbraw/zinc/34/49/03/411344903.db2.gz HQRMBCLWKAMQRY-ONGXEEELSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660593299 411344908 /nfs/dbraw/zinc/34/49/08/411344908.db2.gz HQRMBCLWKAMQRY-ONGXEEELSA-N 1 2 236.319 1.740 20 0 BDADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000361067571 168007846 /nfs/dbraw/zinc/00/78/46/168007846.db2.gz RSIIYBITVQIQJW-SECBINFHSA-N 1 2 245.273 1.623 20 0 BDADLO CC1(C)[C@H](O)CC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000361067571 168007848 /nfs/dbraw/zinc/00/78/48/168007848.db2.gz RSIIYBITVQIQJW-SECBINFHSA-N 1 2 245.273 1.623 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000232789630 168008789 /nfs/dbraw/zinc/00/87/89/168008789.db2.gz MRBFUWCBVGXQHB-PHDIDXHHSA-N 1 2 242.710 1.284 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000232789630 168008791 /nfs/dbraw/zinc/00/87/91/168008791.db2.gz MRBFUWCBVGXQHB-PHDIDXHHSA-N 1 2 242.710 1.284 20 0 BDADLO CCCS(=O)(=O)Nc1c[nH+]c2ccccn12 ZINC000656741187 411345723 /nfs/dbraw/zinc/34/57/23/411345723.db2.gz FJXKUOUBWFRFKH-UHFFFAOYSA-N 1 2 239.300 1.486 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000658339478 411345934 /nfs/dbraw/zinc/34/59/34/411345934.db2.gz SIEXHRXLECGONV-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000354472036 168030021 /nfs/dbraw/zinc/03/00/21/168030021.db2.gz BCPDADRTPRWWRB-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO O[C@H]1C[C@H]([NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000658347728 411348302 /nfs/dbraw/zinc/34/83/02/411348302.db2.gz GKRGDUVXIMPJKO-IJLUTSLNSA-N 1 2 244.298 1.007 20 0 BDADLO CC1=C(C)CN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000280139454 168082079 /nfs/dbraw/zinc/08/20/79/168082079.db2.gz BTTJEZVJICNGCC-UHFFFAOYSA-N 1 2 233.315 1.842 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC(C)=C(C)C2)on1 ZINC000280830939 168082747 /nfs/dbraw/zinc/08/27/47/168082747.db2.gz VZHCMRVVOJDYMR-UHFFFAOYSA-N 1 2 249.314 1.964 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC(C)=C(C)C2)on1 ZINC000280830939 168082748 /nfs/dbraw/zinc/08/27/48/168082748.db2.gz VZHCMRVVOJDYMR-UHFFFAOYSA-N 1 2 249.314 1.964 20 0 BDADLO CC1=C(C)C[N@H+](Cc2cnn(C)n2)CC1 ZINC000289485483 168084504 /nfs/dbraw/zinc/08/45/04/168084504.db2.gz YJPMHSSNCVTYGH-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2cnn(C)n2)CC1 ZINC000289485483 168084505 /nfs/dbraw/zinc/08/45/05/168084505.db2.gz YJPMHSSNCVTYGH-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO CC1=CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000288108833 168094631 /nfs/dbraw/zinc/09/46/31/168094631.db2.gz JDUZBFZFUBXLES-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO CC1=CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000270139466 168105337 /nfs/dbraw/zinc/10/53/37/168105337.db2.gz RDLDBWFXYYQGSQ-UHFFFAOYSA-N 1 2 234.303 1.245 20 0 BDADLO CC1=CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000270107618 168107610 /nfs/dbraw/zinc/10/76/10/168107610.db2.gz IORXLKBJOQXPQT-GFCCVEGCSA-N 1 2 248.330 1.633 20 0 BDADLO CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000657000603 411390281 /nfs/dbraw/zinc/39/02/81/411390281.db2.gz SVXNFHQJXXIBAW-VIFPVBQESA-N 1 2 207.277 1.350 20 0 BDADLO CCC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000128731927 168264847 /nfs/dbraw/zinc/26/48/47/168264847.db2.gz FSDPEKKBVGPYEY-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CCC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288552461 168278593 /nfs/dbraw/zinc/27/85/93/168278593.db2.gz VKPPFGVWHSZXPL-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CCC(C)(C)NC(=O)COCc1[nH]cc[nH+]1 ZINC000123869281 168289199 /nfs/dbraw/zinc/28/91/99/168289199.db2.gz MHHNLKRPIXEKGD-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)CO1 ZINC000657309433 411459688 /nfs/dbraw/zinc/45/96/88/411459688.db2.gz NHSUZNZVHFVHHJ-MNOVXSKESA-N 1 2 209.293 1.375 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C ZINC000657028625 411394914 /nfs/dbraw/zinc/39/49/14/411394914.db2.gz ZSWHVJJGJOIKKC-UHFFFAOYSA-N 1 2 238.335 1.939 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C ZINC000657028625 411394916 /nfs/dbraw/zinc/39/49/16/411394916.db2.gz ZSWHVJJGJOIKKC-UHFFFAOYSA-N 1 2 238.335 1.939 20 0 BDADLO Cc1c[nH]c(CNCc2csc(C)n2)[nH+]1 ZINC000657319025 411460833 /nfs/dbraw/zinc/46/08/33/411460833.db2.gz ZWZAPSKQUFEEDC-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1cncc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000287123923 411461033 /nfs/dbraw/zinc/46/10/33/411461033.db2.gz XKEMCCMBBVYYQZ-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1cncc(C[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000287123923 411461036 /nfs/dbraw/zinc/46/10/36/411461036.db2.gz XKEMCCMBBVYYQZ-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC=CC1 ZINC000654895569 411461698 /nfs/dbraw/zinc/46/16/98/411461698.db2.gz ZUAXKEXYPWSZED-SECBINFHSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC=CC1 ZINC000654895569 411461700 /nfs/dbraw/zinc/46/17/00/411461700.db2.gz ZUAXKEXYPWSZED-SECBINFHSA-N 1 2 219.288 1.423 20 0 BDADLO CC(C)CC[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653499718 411413805 /nfs/dbraw/zinc/41/38/05/411413805.db2.gz XWNQUALNDOASAJ-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO CC(C)CC[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653499718 411413809 /nfs/dbraw/zinc/41/38/09/411413809.db2.gz XWNQUALNDOASAJ-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO CN(CCF)Cc1[nH+]ccn1CC(F)(F)F ZINC000266886707 411418311 /nfs/dbraw/zinc/41/83/11/411418311.db2.gz QQVBWBRQGVLPPF-UHFFFAOYSA-N 1 2 239.216 1.847 20 0 BDADLO COC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccco1 ZINC000266948897 411419009 /nfs/dbraw/zinc/41/90/09/411419009.db2.gz SRYTVFYPSDMFKB-SNVBAGLBSA-N 1 2 249.270 1.429 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)no1 ZINC000657224207 411419986 /nfs/dbraw/zinc/41/99/86/411419986.db2.gz NQSQPIPQPXXHDV-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)no1 ZINC000657224207 411419988 /nfs/dbraw/zinc/41/99/88/411419988.db2.gz NQSQPIPQPXXHDV-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000268206210 411422963 /nfs/dbraw/zinc/42/29/63/411422963.db2.gz UTDRYFZBSQBJOY-PHIMTYICSA-N 1 2 248.330 1.362 20 0 BDADLO COC[C@H](CSc1nc(N)cc(C)[nH+]1)OC ZINC000657236228 411423627 /nfs/dbraw/zinc/42/36/27/411423627.db2.gz GVWBVZPNOGGWJF-MRVPVSSYSA-N 1 2 243.332 1.121 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnoc1 ZINC000654669657 411426251 /nfs/dbraw/zinc/42/62/51/411426251.db2.gz CSSPASFOFZFZHA-ZETCQYMHSA-N 1 2 220.232 1.215 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnoc1 ZINC000654669657 411426254 /nfs/dbraw/zinc/42/62/54/411426254.db2.gz CSSPASFOFZFZHA-ZETCQYMHSA-N 1 2 220.232 1.215 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1F ZINC000271156019 411428585 /nfs/dbraw/zinc/42/85/85/411428585.db2.gz DEGRKFSXVCYYKN-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1F ZINC000271156019 411428590 /nfs/dbraw/zinc/42/85/90/411428590.db2.gz DEGRKFSXVCYYKN-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO c1cn(Cc2noc(C3CCC3)n2)c[nH+]1 ZINC000064551239 411430192 /nfs/dbraw/zinc/43/01/92/411430192.db2.gz OVGGDVUHACJIMM-UHFFFAOYSA-N 1 2 204.233 1.582 20 0 BDADLO C[C@H]1C[C@H]1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000654702505 411433415 /nfs/dbraw/zinc/43/34/15/411433415.db2.gz RGUIOQQLEHJQCL-IONNQARKSA-N 1 2 239.344 1.799 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)CCc1[nH]cc[nH+]1 ZINC000291018956 169893151 /nfs/dbraw/zinc/89/31/51/169893151.db2.gz ACYITKNLXXGVLL-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000654705916 411434043 /nfs/dbraw/zinc/43/40/43/411434043.db2.gz RZRWASKYZDQAHX-GXFFZTMASA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000654705916 411434048 /nfs/dbraw/zinc/43/40/48/411434048.db2.gz RZRWASKYZDQAHX-GXFFZTMASA-N 1 2 247.342 1.989 20 0 BDADLO Cc1nnsc1CNc1ccc(N(C)C)[nH+]c1 ZINC000387343947 411438915 /nfs/dbraw/zinc/43/89/15/411438915.db2.gz QVPRPSNYZRKLOL-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccncc1 ZINC000274994115 411439294 /nfs/dbraw/zinc/43/92/94/411439294.db2.gz ONDXJHJVXCCOOV-AAEUAGOBSA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccncc1 ZINC000274994115 411439297 /nfs/dbraw/zinc/43/92/97/411439297.db2.gz ONDXJHJVXCCOOV-AAEUAGOBSA-N 1 2 248.326 1.855 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC2)CC1 ZINC000654767028 411442079 /nfs/dbraw/zinc/44/20/79/411442079.db2.gz JYSRTYFQEGHCPH-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC2)CC1 ZINC000654767028 411442081 /nfs/dbraw/zinc/44/20/81/411442081.db2.gz JYSRTYFQEGHCPH-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1nccn1C(C)C ZINC000657294097 411452336 /nfs/dbraw/zinc/45/23/36/411452336.db2.gz DDSXTCQFLUXJPJ-UHFFFAOYSA-N 1 2 238.335 1.078 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(F)C1 ZINC000654988424 411471675 /nfs/dbraw/zinc/47/16/75/411471675.db2.gz QBWPMKPQPSLXKJ-SSDOTTSWSA-N 1 2 229.230 1.066 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(F)(F)C1 ZINC000654988424 411471677 /nfs/dbraw/zinc/47/16/77/411471677.db2.gz QBWPMKPQPSLXKJ-SSDOTTSWSA-N 1 2 229.230 1.066 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)CC(C)C)c(C)o1 ZINC000659839439 411472646 /nfs/dbraw/zinc/47/26/46/411472646.db2.gz WNBIZKDNDZHFCG-UHFFFAOYSA-N 1 2 239.319 1.235 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)CC(C)C)c(C)o1 ZINC000659839439 411472648 /nfs/dbraw/zinc/47/26/48/411472648.db2.gz WNBIZKDNDZHFCG-UHFFFAOYSA-N 1 2 239.319 1.235 20 0 BDADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000293982638 411472955 /nfs/dbraw/zinc/47/29/55/411472955.db2.gz KEPCDMUSZDVDHK-BRAIEQGRSA-N 1 2 237.303 1.089 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc[nH]n1 ZINC000657353894 411474177 /nfs/dbraw/zinc/47/41/77/411474177.db2.gz KWMYOAKFSGKKTI-UHFFFAOYSA-N 1 2 245.330 1.701 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cnc(C)s2)n1 ZINC000657348155 411474846 /nfs/dbraw/zinc/47/48/46/411474846.db2.gz MGTSOIQEWONIGP-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO CCc1nc([C@@H](C)N2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000659856748 411479654 /nfs/dbraw/zinc/47/96/54/411479654.db2.gz GWPCAQNZUVHHJA-SNVBAGLBSA-N 1 2 249.362 1.208 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](CO)c2cccc(F)c2)n1 ZINC000657368843 411480118 /nfs/dbraw/zinc/48/01/18/411480118.db2.gz XBSJPDACMVNACK-GFCCVEGCSA-N 1 2 249.289 1.680 20 0 BDADLO CC[N@@H+](Cc1ncc(C)cn1)C[C@@H]1CCCO1 ZINC000336694317 169936839 /nfs/dbraw/zinc/93/68/39/169936839.db2.gz JAJUDMVLOSXBSW-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CC[N@H+](Cc1ncc(C)cn1)C[C@@H]1CCCO1 ZINC000336694317 169936840 /nfs/dbraw/zinc/93/68/40/169936840.db2.gz JAJUDMVLOSXBSW-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@@H]1COC(C)(C)C1)C2 ZINC000659865871 411483155 /nfs/dbraw/zinc/48/31/55/411483155.db2.gz NWWUYCLEOWVJNO-LBPRGKRZSA-N 1 2 249.358 1.883 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000659874783 411486451 /nfs/dbraw/zinc/48/64/51/411486451.db2.gz REPIUECMDUGQGL-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000659874783 411486453 /nfs/dbraw/zinc/48/64/53/411486453.db2.gz REPIUECMDUGQGL-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)CNC(=O)CCC[N@H+](C)CC(F)F ZINC000659880165 411489481 /nfs/dbraw/zinc/48/94/81/411489481.db2.gz ZWLHTCQADCTTMC-UHFFFAOYSA-N 1 2 236.306 1.736 20 0 BDADLO CC(C)CNC(=O)CCC[N@@H+](C)CC(F)F ZINC000659880165 411489483 /nfs/dbraw/zinc/48/94/83/411489483.db2.gz ZWLHTCQADCTTMC-UHFFFAOYSA-N 1 2 236.306 1.736 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C2CC2)C1 ZINC000655098075 411494921 /nfs/dbraw/zinc/49/49/21/411494921.db2.gz LLNWITFEOFJGJB-VIFPVBQESA-N 1 2 233.315 1.457 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C2CC2)C1 ZINC000655098075 411494925 /nfs/dbraw/zinc/49/49/25/411494925.db2.gz LLNWITFEOFJGJB-VIFPVBQESA-N 1 2 233.315 1.457 20 0 BDADLO Cc1c[nH]c(CNc2cnn(CC(F)F)c2)[nH+]1 ZINC000657401295 411496484 /nfs/dbraw/zinc/49/64/84/411496484.db2.gz AJGCOMXZMNHARB-UHFFFAOYSA-N 1 2 241.245 1.792 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1=CCCC1 ZINC000660422643 411497217 /nfs/dbraw/zinc/49/72/17/411497217.db2.gz GMOLUPDEWBMHPN-LLVKDONJSA-N 1 2 248.330 1.681 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](F)C1 ZINC000655127177 411500449 /nfs/dbraw/zinc/50/04/49/411500449.db2.gz WHIMMTYTNZUPDD-BDAKNGLRSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](F)C1 ZINC000655127177 411500451 /nfs/dbraw/zinc/50/04/51/411500451.db2.gz WHIMMTYTNZUPDD-BDAKNGLRSA-N 1 2 225.267 1.159 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cnn(C)c2C)n1 ZINC000657419230 411501817 /nfs/dbraw/zinc/50/18/17/411501817.db2.gz KBJITYVBZXQIFN-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@H](C(F)(F)F)C2)c1 ZINC000659949837 411507841 /nfs/dbraw/zinc/50/78/41/411507841.db2.gz YTXWAULWBACSBP-VIFPVBQESA-N 1 2 249.236 1.183 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](CO)c2ccsc2)n1 ZINC000657438113 411509842 /nfs/dbraw/zinc/50/98/42/411509842.db2.gz IQXQOBIBQKZLTP-JTQLQIEISA-N 1 2 237.328 1.603 20 0 BDADLO O=C1C[N@H+](CC2CC=CC2)CN1C1CC1 ZINC000660443088 411514526 /nfs/dbraw/zinc/51/45/26/411514526.db2.gz AXYHSPHSDPLGFF-UHFFFAOYSA-N 1 2 206.289 1.217 20 0 BDADLO O=C1C[N@@H+](CC2CC=CC2)CN1C1CC1 ZINC000660443088 411514529 /nfs/dbraw/zinc/51/45/29/411514529.db2.gz AXYHSPHSDPLGFF-UHFFFAOYSA-N 1 2 206.289 1.217 20 0 BDADLO CCC[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655795344 411515879 /nfs/dbraw/zinc/51/58/79/411515879.db2.gz AIFYXPRZKKDSSZ-UWVGGRQHSA-N 1 2 238.335 1.934 20 0 BDADLO COC[C@@H](C[N@H+](C)Cc1nccs1)OC ZINC000659977648 411516672 /nfs/dbraw/zinc/51/66/72/411516672.db2.gz TZNHPRHLFUNSIV-SECBINFHSA-N 1 2 230.333 1.236 20 0 BDADLO COC[C@@H](C[N@@H+](C)Cc1nccs1)OC ZINC000659977648 411516673 /nfs/dbraw/zinc/51/66/73/411516673.db2.gz TZNHPRHLFUNSIV-SECBINFHSA-N 1 2 230.333 1.236 20 0 BDADLO CC[C@]1(C)CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659977400 411517278 /nfs/dbraw/zinc/51/72/78/411517278.db2.gz XTJSGPPTQJQAJD-GFCCVEGCSA-N 1 2 222.336 1.859 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659977400 411517282 /nfs/dbraw/zinc/51/72/82/411517282.db2.gz XTJSGPPTQJQAJD-GFCCVEGCSA-N 1 2 222.336 1.859 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)CO1 ZINC000657462265 411518615 /nfs/dbraw/zinc/51/86/15/411518615.db2.gz RTMWCCXAHIUOBC-HTQZYQBOSA-N 1 2 205.248 1.941 20 0 BDADLO OCc1ccc(NCc2c[nH+]c3n2CCC3)nc1 ZINC000657468747 411521827 /nfs/dbraw/zinc/52/18/27/411521827.db2.gz RFNOQLVKILDOSU-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO C[C@H](F)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657475395 411524954 /nfs/dbraw/zinc/52/49/54/411524954.db2.gz ROIGDXWBHZZIMD-QMMMGPOBSA-N 1 2 229.303 1.266 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cn[nH]c1 ZINC000657482893 411527738 /nfs/dbraw/zinc/52/77/38/411527738.db2.gz IJGIJOOBKDLKNB-VIFPVBQESA-N 1 2 219.292 1.477 20 0 BDADLO Cn1ccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)c1 ZINC000655832437 411529323 /nfs/dbraw/zinc/52/93/23/411529323.db2.gz XIFMQGVKQHRZOZ-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO COc1cccnc1CNCc1[nH]cc(C)[nH+]1 ZINC000657484913 411529868 /nfs/dbraw/zinc/52/98/68/411529868.db2.gz QVHPVFDIVFXYMD-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@H+](CC(F)F)C1 ZINC000307067607 411465487 /nfs/dbraw/zinc/46/54/87/411465487.db2.gz SRNQROWRDVIESR-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@@H+](CC(F)F)C1 ZINC000307067607 411465489 /nfs/dbraw/zinc/46/54/89/411465489.db2.gz SRNQROWRDVIESR-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[N@@H+]1CC[C@@H](NCC[NH+]2CCC2)[C@@H](C)C1 ZINC000336780569 170011875 /nfs/dbraw/zinc/01/18/75/170011875.db2.gz RRDFKSKEYDERBU-QWHCGFSZSA-N 1 2 225.380 1.012 20 0 BDADLO CC[N@H+]1CC[C@@H](NCC[NH+]2CCC2)[C@@H](C)C1 ZINC000336780569 170011876 /nfs/dbraw/zinc/01/18/76/170011876.db2.gz RRDFKSKEYDERBU-QWHCGFSZSA-N 1 2 225.380 1.012 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2cc(C)no2)[C@@H](C)C1 ZINC000353065237 170035706 /nfs/dbraw/zinc/03/57/06/170035706.db2.gz SGYCEYKGJFJIBJ-GWCFXTLKSA-N 1 2 237.347 1.455 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(CC)o1 ZINC000119312463 170058024 /nfs/dbraw/zinc/05/80/24/170058024.db2.gz HUMVVUJBWAKHEZ-UHFFFAOYSA-N 1 2 238.331 1.800 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(CC)o1 ZINC000119312463 170058025 /nfs/dbraw/zinc/05/80/25/170058025.db2.gz HUMVVUJBWAKHEZ-UHFFFAOYSA-N 1 2 238.331 1.800 20 0 BDADLO CN(Cc1cc2n(n1)CCCC2)Cc1[nH]cc[nH+]1 ZINC000660142010 411544458 /nfs/dbraw/zinc/54/44/58/411544458.db2.gz LXOPDMBPDYNSRW-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC000035134377 170087813 /nfs/dbraw/zinc/08/78/13/170087813.db2.gz DRMLBGOUSSPIGG-MRVPVSSYSA-N 1 2 242.269 1.579 20 0 BDADLO Cc1nc(C[N@H+]2CCCOC[C@H]2C)co1 ZINC000660114662 411538330 /nfs/dbraw/zinc/53/83/30/411538330.db2.gz YJOIYXYMSFLYTH-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOC[C@H]2C)co1 ZINC000660114662 411538333 /nfs/dbraw/zinc/53/83/33/411538333.db2.gz YJOIYXYMSFLYTH-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cn1c[nH+]c(CN(Cc2ccccn2)C2CC2)c1 ZINC000660168201 411551591 /nfs/dbraw/zinc/55/15/91/411551591.db2.gz JTLLPZKVFZPFIC-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1cnc(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000660168201 411551593 /nfs/dbraw/zinc/55/15/93/411551593.db2.gz JTLLPZKVFZPFIC-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1cnc(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000660168201 411551594 /nfs/dbraw/zinc/55/15/94/411551594.db2.gz JTLLPZKVFZPFIC-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccco2)c2ncnn21 ZINC000657568499 411553178 /nfs/dbraw/zinc/55/31/78/411553178.db2.gz JVOLWMPVVSSZKJ-WCBMZHEXSA-N 1 2 218.260 1.667 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)o1 ZINC000657569553 411553619 /nfs/dbraw/zinc/55/36/19/411553619.db2.gz OZYLXUGKYLGXMS-KWQFWETISA-N 1 2 232.287 1.975 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cccc(F)c2)n1 ZINC000051860764 170131983 /nfs/dbraw/zinc/13/19/83/170131983.db2.gz RHBZOUJVRLOVAI-UHFFFAOYSA-N 1 2 235.262 1.909 20 0 BDADLO Cn1c[nH+]c(CN2CCC(F)(F)C2)c1 ZINC000660213110 411554715 /nfs/dbraw/zinc/55/47/15/411554715.db2.gz AJAZGUUQTUVXON-UHFFFAOYSA-N 1 2 201.220 1.261 20 0 BDADLO C[N@H+](CCn1cc(Cl)cn1)Cc1ncc[nH]1 ZINC000660141997 411544637 /nfs/dbraw/zinc/54/46/37/411544637.db2.gz LLEZPQSIESRFMR-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO C[N@@H+](CCn1cc(Cl)cn1)Cc1ncc[nH]1 ZINC000660141997 411544638 /nfs/dbraw/zinc/54/46/38/411544638.db2.gz LLEZPQSIESRFMR-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO CN(CCn1cc(Cl)cn1)Cc1[nH]cc[nH+]1 ZINC000660141997 411544640 /nfs/dbraw/zinc/54/46/40/411544640.db2.gz LLEZPQSIESRFMR-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO C[N@H+](CCOC[C@@H]1CCCO1)Cc1ncc[nH]1 ZINC000660143271 411544741 /nfs/dbraw/zinc/54/47/41/411544741.db2.gz OXDPWYYCFHAYBU-NSHDSACASA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1ncc[nH]1 ZINC000660143271 411544742 /nfs/dbraw/zinc/54/47/42/411544742.db2.gz OXDPWYYCFHAYBU-NSHDSACASA-N 1 2 239.319 1.037 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000660148034 411546611 /nfs/dbraw/zinc/54/66/11/411546611.db2.gz SKRWZKZOUCYADU-LURJTMIESA-N 1 2 219.260 1.625 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000660148034 411546612 /nfs/dbraw/zinc/54/66/12/411546612.db2.gz SKRWZKZOUCYADU-LURJTMIESA-N 1 2 219.260 1.625 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(C)o1 ZINC000660151189 411546913 /nfs/dbraw/zinc/54/69/13/411546913.db2.gz QDISUWMWFYBIFI-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@H]2C2CC2)c(C)o1 ZINC000660151189 411546914 /nfs/dbraw/zinc/54/69/14/411546914.db2.gz QDISUWMWFYBIFI-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCc1cscn1 ZINC000296926640 170186933 /nfs/dbraw/zinc/18/69/33/170186933.db2.gz AZYUVRUDRVDRGU-UHFFFAOYSA-N 1 2 242.344 1.617 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CCCO1 ZINC000037957487 170187377 /nfs/dbraw/zinc/18/73/77/170187377.db2.gz KBCUNZNGQOGKGK-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1ncc(C)cn1 ZINC000340811594 170204351 /nfs/dbraw/zinc/20/43/51/170204351.db2.gz FBSBYPUMMNQEIC-UHFFFAOYSA-N 1 2 237.303 1.170 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1ncc(C)cn1 ZINC000340811594 170204353 /nfs/dbraw/zinc/20/43/53/170204353.db2.gz FBSBYPUMMNQEIC-UHFFFAOYSA-N 1 2 237.303 1.170 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1csc(C)n1 ZINC000044609417 170204961 /nfs/dbraw/zinc/20/49/61/170204961.db2.gz IKPXPWULMLCGTF-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1csc(C)n1 ZINC000044609417 170204963 /nfs/dbraw/zinc/20/49/63/170204963.db2.gz IKPXPWULMLCGTF-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO c1cc(C[NH2+][C@@H]2COC3(CCC3)C2)[nH]n1 ZINC000657630282 411566652 /nfs/dbraw/zinc/56/66/52/411566652.db2.gz AXHDZOLNXDIUPI-JTQLQIEISA-N 1 2 207.277 1.211 20 0 BDADLO CCOC(=O)CN(C)Cc1cn2ccccc2[nH+]1 ZINC000050066443 170214993 /nfs/dbraw/zinc/21/49/93/170214993.db2.gz FIXLOZDTNLWNKZ-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO CCOC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000101546846 170215049 /nfs/dbraw/zinc/21/50/49/170215049.db2.gz AWOPGZNZBMPAJH-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000101546846 170215050 /nfs/dbraw/zinc/21/50/50/170215050.db2.gz AWOPGZNZBMPAJH-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183917483 170215066 /nfs/dbraw/zinc/21/50/66/170215066.db2.gz WVZVKUZNZCVRKC-SECBINFHSA-N 1 2 242.344 1.742 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183917483 170215067 /nfs/dbraw/zinc/21/50/67/170215067.db2.gz WVZVKUZNZCVRKC-SECBINFHSA-N 1 2 242.344 1.742 20 0 BDADLO O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1cnccn1 ZINC000660306439 411567132 /nfs/dbraw/zinc/56/71/32/411567132.db2.gz QJBACUOLMBBTOQ-UHFFFAOYSA-N 1 2 246.314 1.291 20 0 BDADLO O=C(C[N@H+]1CCCC2(CC2)C1)Nc1cnccn1 ZINC000660306439 411567135 /nfs/dbraw/zinc/56/71/35/411567135.db2.gz QJBACUOLMBBTOQ-UHFFFAOYSA-N 1 2 246.314 1.291 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123294 170220262 /nfs/dbraw/zinc/22/02/62/170220262.db2.gz ABOPBIDLGBSUDB-NSHDSACASA-N 1 2 237.303 1.083 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123294 170220263 /nfs/dbraw/zinc/22/02/63/170220263.db2.gz ABOPBIDLGBSUDB-NSHDSACASA-N 1 2 237.303 1.083 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000375728822 170226516 /nfs/dbraw/zinc/22/65/16/170226516.db2.gz DCCBZAFOWCHGNX-JLLWLGSASA-N 1 2 241.331 1.343 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000337527408 170226977 /nfs/dbraw/zinc/22/69/77/170226977.db2.gz CCRZNSJXLYZUPT-YUMQZZPRSA-N 1 2 237.246 1.299 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cnccc1C ZINC000353629015 170247107 /nfs/dbraw/zinc/24/71/07/170247107.db2.gz VQNPAFJFPJYETC-LLVKDONJSA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cnccc1C ZINC000353629015 170247110 /nfs/dbraw/zinc/24/71/10/170247110.db2.gz VQNPAFJFPJYETC-LLVKDONJSA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@@H]1CCCCN1Cc1c[nH+]c[nH]1 ZINC000179649942 170257255 /nfs/dbraw/zinc/25/72/55/170257255.db2.gz DGKLYCCGZXXZIW-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)[C@@H]1CCCCN1Cc1c[nH]c[nH+]1 ZINC000179649942 170257256 /nfs/dbraw/zinc/25/72/56/170257256.db2.gz DGKLYCCGZXXZIW-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000353640433 170258930 /nfs/dbraw/zinc/25/89/30/170258930.db2.gz CLKIAJUYFKWZBW-WDEREUQCSA-N 1 2 234.299 1.717 20 0 BDADLO C[C@@H]([NH2+]CCF)c1nnc2n1CCCCC2 ZINC000660261121 411561510 /nfs/dbraw/zinc/56/15/10/411561510.db2.gz HLCQKNQJTLNTRH-SECBINFHSA-N 1 2 226.299 1.625 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)[C@H]2CC2(C)C)[nH]1 ZINC000657609256 411562546 /nfs/dbraw/zinc/56/25/46/411562546.db2.gz MJFPNRHUYVCFEC-RKDXNWHRSA-N 1 2 238.335 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)[C@H]2CC2(C)C)[nH]1 ZINC000657609254 411562830 /nfs/dbraw/zinc/56/28/30/411562830.db2.gz MJFPNRHUYVCFEC-DTWKUNHWSA-N 1 2 238.335 1.475 20 0 BDADLO CCn1ccc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000657616933 411564334 /nfs/dbraw/zinc/56/43/34/411564334.db2.gz VLXDANAUIZZNRY-UHFFFAOYSA-N 1 2 205.265 1.547 20 0 BDADLO Cn1cnc(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000660332921 411571333 /nfs/dbraw/zinc/57/13/33/411571333.db2.gz YDIOPRGVAFYFRP-UHFFFAOYSA-N 1 2 245.273 1.012 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2CC[C@H](C)C2)n1 ZINC000314492537 170309442 /nfs/dbraw/zinc/30/94/42/170309442.db2.gz NFKHWSHSVOGRKI-QMMMGPOBSA-N 1 2 239.275 1.088 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2CC[C@H](C)C2)n1 ZINC000314492537 170309443 /nfs/dbraw/zinc/30/94/43/170309443.db2.gz NFKHWSHSVOGRKI-QMMMGPOBSA-N 1 2 239.275 1.088 20 0 BDADLO CCOC(C)(C)C[NH2+]Cc1cn[nH]c1C ZINC000166960112 170312553 /nfs/dbraw/zinc/31/25/53/170312553.db2.gz NMAADFSYDRNLSN-UHFFFAOYSA-N 1 2 211.309 1.623 20 0 BDADLO CCOC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000330604158 170317478 /nfs/dbraw/zinc/31/74/78/170317478.db2.gz GRJUXVCBXGNJBU-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO CCOC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000330604158 170317480 /nfs/dbraw/zinc/31/74/80/170317480.db2.gz GRJUXVCBXGNJBU-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000296118263 170335896 /nfs/dbraw/zinc/33/58/96/170335896.db2.gz LGAOOHKVMGGJPX-CYBMUJFWSA-N 1 2 221.300 1.441 20 0 BDADLO CCOC1C[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000297371805 170335899 /nfs/dbraw/zinc/33/58/99/170335899.db2.gz HSGYOOXJGGCTGG-UHFFFAOYSA-N 1 2 223.320 1.258 20 0 BDADLO CCOC1C[NH+](Cc2cnccc2C)C1 ZINC000297391561 170336990 /nfs/dbraw/zinc/33/69/90/170336990.db2.gz JLGQWSJTTFZQAY-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CCOC1C[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000297357642 170337193 /nfs/dbraw/zinc/33/71/93/170337193.db2.gz GLCDCJYALNFYKO-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO CCOCC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000186234662 170337822 /nfs/dbraw/zinc/33/78/22/170337822.db2.gz CBLNXGONUUGNNT-UHFFFAOYSA-N 1 2 241.316 1.065 20 0 BDADLO CCOCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865122 170339504 /nfs/dbraw/zinc/33/95/04/170339504.db2.gz PJHRGGLLCLTSPN-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO CCOCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370236074 170339701 /nfs/dbraw/zinc/33/97/01/170339701.db2.gz ORWRLNKZSKESBY-UHFFFAOYSA-N 1 2 237.303 1.152 20 0 BDADLO CCOCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370236074 170339703 /nfs/dbraw/zinc/33/97/03/170339703.db2.gz ORWRLNKZSKESBY-UHFFFAOYSA-N 1 2 237.303 1.152 20 0 BDADLO CCOCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296027986 170350283 /nfs/dbraw/zinc/35/02/83/170350283.db2.gz HESMTBKEGULHJY-UHFFFAOYSA-N 1 2 248.282 1.824 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1noc(C)n1 ZINC000339371192 170355594 /nfs/dbraw/zinc/35/55/94/170355594.db2.gz KBLUNJHRWUVSLU-UHFFFAOYSA-N 1 2 213.281 1.283 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCC1=O ZINC000660322122 411569039 /nfs/dbraw/zinc/56/90/39/411569039.db2.gz JHPYRXPFUWLPCT-SCZZXKLOSA-N 1 2 233.258 1.322 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCC1=O ZINC000660322122 411569041 /nfs/dbraw/zinc/56/90/41/411569041.db2.gz JHPYRXPFUWLPCT-SCZZXKLOSA-N 1 2 233.258 1.322 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nc(C)n1 ZINC000660323828 411569115 /nfs/dbraw/zinc/56/91/15/411569115.db2.gz WMYXRHUATBJFKR-CQSZACIVSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)nc(C)n1 ZINC000660323828 411569117 /nfs/dbraw/zinc/56/91/17/411569117.db2.gz WMYXRHUATBJFKR-CQSZACIVSA-N 1 2 247.342 1.704 20 0 BDADLO CCOCC[N@H+](CC)Cc1nnc(C)o1 ZINC000107681041 170396634 /nfs/dbraw/zinc/39/66/34/170396634.db2.gz QVTOZNUBTJNENS-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nnc(C)o1 ZINC000107681041 170396635 /nfs/dbraw/zinc/39/66/35/170396635.db2.gz QVTOZNUBTJNENS-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO Cc1nc(C[N@H+](C2CC2)C2(CO)CCC2)no1 ZINC000660774052 411626296 /nfs/dbraw/zinc/62/62/96/411626296.db2.gz GDGUFBJBTUOYRW-UHFFFAOYSA-N 1 2 237.303 1.257 20 0 BDADLO Cc1nc(C[N@@H+](C2CC2)C2(CO)CCC2)no1 ZINC000660774052 411626298 /nfs/dbraw/zinc/62/62/98/411626298.db2.gz GDGUFBJBTUOYRW-UHFFFAOYSA-N 1 2 237.303 1.257 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1csnn1 ZINC000660811249 411642632 /nfs/dbraw/zinc/64/26/32/411642632.db2.gz GYYSUWPJIFEXCJ-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1csnn1 ZINC000660811249 411642637 /nfs/dbraw/zinc/64/26/37/411642637.db2.gz GYYSUWPJIFEXCJ-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](CO)COC(C)C)co1 ZINC000660418658 411582107 /nfs/dbraw/zinc/58/21/07/411582107.db2.gz RCZSRABDYVQYDN-LBPRGKRZSA-N 1 2 242.319 1.201 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](CO)COC(C)C)co1 ZINC000660418658 411582110 /nfs/dbraw/zinc/58/21/10/411582110.db2.gz RCZSRABDYVQYDN-LBPRGKRZSA-N 1 2 242.319 1.201 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@]2(C)CC2(C)C)n1 ZINC000657761768 411591567 /nfs/dbraw/zinc/59/15/67/411591567.db2.gz RZHZIOMCVSTHPL-GFCCVEGCSA-N 1 2 237.351 1.706 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000657788299 411596008 /nfs/dbraw/zinc/59/60/08/411596008.db2.gz MZLYQNWLFIPKJA-OLZOCXBDSA-N 1 2 231.299 1.830 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)c2nccn2C)cn1 ZINC000657792439 411598356 /nfs/dbraw/zinc/59/83/56/411598356.db2.gz BGPLWTSCJNMDJG-NSHDSACASA-N 1 2 247.346 1.877 20 0 BDADLO c1[nH+]cn2c1CN(CCOC1CCC1)CC2 ZINC000660582920 411604081 /nfs/dbraw/zinc/60/40/81/411604081.db2.gz BCTBHAYVRGCHGE-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO c1ncn2c1C[N@H+](CCOC1CCC1)CC2 ZINC000660582920 411604083 /nfs/dbraw/zinc/60/40/83/411604083.db2.gz BCTBHAYVRGCHGE-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO c1ncn2c1C[N@@H+](CCOC1CCC1)CC2 ZINC000660582920 411604085 /nfs/dbraw/zinc/60/40/85/411604085.db2.gz BCTBHAYVRGCHGE-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH+]c[nH]2)c(C)o1 ZINC000661093088 411706133 /nfs/dbraw/zinc/70/61/33/411706133.db2.gz MUSBPQJQJMDMCI-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH]c[nH+]2)c(C)o1 ZINC000661093088 411706137 /nfs/dbraw/zinc/70/61/37/411706137.db2.gz MUSBPQJQJMDMCI-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CCCCC1 ZINC000663402609 411648778 /nfs/dbraw/zinc/64/87/78/411648778.db2.gz LQJKKAHZSSBHOR-UHFFFAOYSA-N 1 2 236.319 1.884 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CCCCC1 ZINC000663402609 411648780 /nfs/dbraw/zinc/64/87/80/411648780.db2.gz LQJKKAHZSSBHOR-UHFFFAOYSA-N 1 2 236.319 1.884 20 0 BDADLO CCOC1CC(C[N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000660842267 411652491 /nfs/dbraw/zinc/65/24/91/411652491.db2.gz MSSCYBSLFPRFQY-UHFFFAOYSA-N 1 2 241.291 1.022 20 0 BDADLO CCOC1CC(C[N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000660842267 411652494 /nfs/dbraw/zinc/65/24/94/411652494.db2.gz MSSCYBSLFPRFQY-UHFFFAOYSA-N 1 2 241.291 1.022 20 0 BDADLO C[N@H+](CCC[C@H]1CCOC1)Cc1n[nH]c(=O)o1 ZINC000660843643 411653043 /nfs/dbraw/zinc/65/30/43/411653043.db2.gz GYPDFPDZURTNCS-VIFPVBQESA-N 1 2 241.291 1.024 20 0 BDADLO C[N@@H+](CCC[C@H]1CCOC1)Cc1n[nH]c(=O)o1 ZINC000660843643 411653046 /nfs/dbraw/zinc/65/30/46/411653046.db2.gz GYPDFPDZURTNCS-VIFPVBQESA-N 1 2 241.291 1.024 20 0 BDADLO C[C@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000660838133 411653151 /nfs/dbraw/zinc/65/31/51/411653151.db2.gz FWDHVGIYBMBDRI-SECBINFHSA-N 1 2 236.319 1.597 20 0 BDADLO C[C@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000660838133 411653154 /nfs/dbraw/zinc/65/31/54/411653154.db2.gz FWDHVGIYBMBDRI-SECBINFHSA-N 1 2 236.319 1.597 20 0 BDADLO C[N@H+](CCc1ccccc1)Cc1n[nH]c(=O)o1 ZINC000660847257 411655626 /nfs/dbraw/zinc/65/56/26/411655626.db2.gz OOBWPJSIVRJRGB-UHFFFAOYSA-N 1 2 233.271 1.450 20 0 BDADLO C[N@@H+](CCc1ccccc1)Cc1n[nH]c(=O)o1 ZINC000660847257 411655629 /nfs/dbraw/zinc/65/56/29/411655629.db2.gz OOBWPJSIVRJRGB-UHFFFAOYSA-N 1 2 233.271 1.450 20 0 BDADLO CCCCOCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849396 411655816 /nfs/dbraw/zinc/65/58/16/411655816.db2.gz BTYGGPUZRUUFFM-UHFFFAOYSA-N 1 2 229.280 1.024 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849396 411655820 /nfs/dbraw/zinc/65/58/20/411655820.db2.gz BTYGGPUZRUUFFM-UHFFFAOYSA-N 1 2 229.280 1.024 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660844878 411657089 /nfs/dbraw/zinc/65/70/89/411657089.db2.gz WLZLBHSDOYESMI-AYMMMOKOSA-N 1 2 223.276 1.253 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660844878 411657091 /nfs/dbraw/zinc/65/70/91/411657091.db2.gz WLZLBHSDOYESMI-AYMMMOKOSA-N 1 2 223.276 1.253 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849814 411657943 /nfs/dbraw/zinc/65/79/43/411657943.db2.gz GNBBMESKKRNIRT-UHFFFAOYSA-N 1 2 243.307 1.270 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660849814 411657948 /nfs/dbraw/zinc/65/79/48/411657948.db2.gz GNBBMESKKRNIRT-UHFFFAOYSA-N 1 2 243.307 1.270 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccnn1CC ZINC000663468444 411666701 /nfs/dbraw/zinc/66/67/01/411666701.db2.gz DJFBFHRGLMRUJD-NSHDSACASA-N 1 2 247.346 1.970 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)cn2)[C@H](C)CO1 ZINC000660911621 411668464 /nfs/dbraw/zinc/66/84/64/411668464.db2.gz FCBLWBHLIQSXPK-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)cn2)[C@H](C)CO1 ZINC000660911621 411668467 /nfs/dbraw/zinc/66/84/67/411668467.db2.gz FCBLWBHLIQSXPK-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CN(Cc2cn(C)c[nH+]2)[C@H](C)CO1 ZINC000660911621 411668472 /nfs/dbraw/zinc/66/84/72/411668472.db2.gz FCBLWBHLIQSXPK-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@H](C)CO1 ZINC000660911622 411668973 /nfs/dbraw/zinc/66/89/73/411668973.db2.gz FCBLWBHLIQSXPK-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@H](C)CO1 ZINC000660911622 411668975 /nfs/dbraw/zinc/66/89/75/411668975.db2.gz FCBLWBHLIQSXPK-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CN(Cc2cn(C)c[nH+]2)[C@H](C)CO1 ZINC000660911622 411668978 /nfs/dbraw/zinc/66/89/78/411668978.db2.gz FCBLWBHLIQSXPK-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO COc1c(N)[nH+]cnc1NCC[C@H]1CC1(F)F ZINC000621346821 411682939 /nfs/dbraw/zinc/68/29/39/411682939.db2.gz ZOXYBLGNYMEUDH-LURJTMIESA-N 1 2 244.245 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NCC[C@H]1CC1(F)F ZINC000621346821 411682942 /nfs/dbraw/zinc/68/29/42/411682942.db2.gz ZOXYBLGNYMEUDH-LURJTMIESA-N 1 2 244.245 1.525 20 0 BDADLO COc1cc(CNc2cc[nH+]c(C)n2)on1 ZINC000631369379 411690742 /nfs/dbraw/zinc/69/07/42/411690742.db2.gz HTSRMQXPLZNDHH-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO CN(Cc1cn2cccnc2n1)Cc1c[nH+]c[nH]1 ZINC000661085997 411696761 /nfs/dbraw/zinc/69/67/61/411696761.db2.gz SYYNJBXKDMAIFJ-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO CN(Cc1cn2cccnc2n1)Cc1c[nH]c[nH+]1 ZINC000661085997 411696764 /nfs/dbraw/zinc/69/67/64/411696764.db2.gz SYYNJBXKDMAIFJ-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO c1cc(NCC2COC2)nc(C2CC2)[nH+]1 ZINC000528226120 411699422 /nfs/dbraw/zinc/69/94/22/411699422.db2.gz NQVBRUIPOQNSNN-UHFFFAOYSA-N 1 2 205.261 1.412 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cc[nH]n1)CC2 ZINC000624763118 411730199 /nfs/dbraw/zinc/73/01/99/411730199.db2.gz ZPQIQBDXUNIWDM-SECBINFHSA-N 1 2 245.286 1.116 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CC[C@@H]1C)c1[nH+]ccn1C ZINC000661179205 411730275 /nfs/dbraw/zinc/73/02/75/411730275.db2.gz JRPBRWXNBDOPEY-GUBZILKMSA-N 1 2 236.319 1.579 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CC[C@H]1C)c1[nH+]ccn1C ZINC000661179208 411730462 /nfs/dbraw/zinc/73/04/62/411730462.db2.gz JRPBRWXNBDOPEY-UTLUCORTSA-N 1 2 236.319 1.579 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[S@](C)=O ZINC000518796043 411735680 /nfs/dbraw/zinc/73/56/80/411735680.db2.gz OOGWRTKMTIAPEZ-OAHLLOKOSA-N 1 2 227.333 1.274 20 0 BDADLO C[C@@H](NC(=O)NCC[C@H](C)F)c1[nH+]ccn1C ZINC000661239698 411741306 /nfs/dbraw/zinc/74/13/06/411741306.db2.gz NJFNMQODVCAJOZ-DTWKUNHWSA-N 1 2 242.298 1.528 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC000661413916 411770326 /nfs/dbraw/zinc/77/03/26/411770326.db2.gz PYAAHPCBUPEUOG-BBBLOLIVSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC000661413916 411770330 /nfs/dbraw/zinc/77/03/30/411770330.db2.gz PYAAHPCBUPEUOG-BBBLOLIVSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1cscn1 ZINC000661421671 411771866 /nfs/dbraw/zinc/77/18/66/411771866.db2.gz WGYKGCLMHMCRCQ-MRVPVSSYSA-N 1 2 239.344 1.415 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1cscn1 ZINC000661418044 411771915 /nfs/dbraw/zinc/77/19/15/411771915.db2.gz IJCSIBDBQDTDGX-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(c1ccnc(C3CC3)n1)C2 ZINC000663918847 411776202 /nfs/dbraw/zinc/77/62/02/411776202.db2.gz GRKRYONIXJJUEA-UHFFFAOYSA-N 1 2 241.298 1.640 20 0 BDADLO CCSCC[C@H](C)[N@H+](C)Cc1nnnn1C ZINC000362453818 170642975 /nfs/dbraw/zinc/64/29/75/170642975.db2.gz POAWIQFJDDYZCQ-VIFPVBQESA-N 1 2 243.380 1.174 20 0 BDADLO CCSCC[C@H](C)[N@@H+](C)Cc1nnnn1C ZINC000362453818 170642976 /nfs/dbraw/zinc/64/29/76/170642976.db2.gz POAWIQFJDDYZCQ-VIFPVBQESA-N 1 2 243.380 1.174 20 0 BDADLO CC(C)c1nc(N2C[C@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000663945277 411785514 /nfs/dbraw/zinc/78/55/14/411785514.db2.gz FOAQJZUZGXQZLS-UWVGGRQHSA-N 1 2 249.362 1.906 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC000663945271 411785629 /nfs/dbraw/zinc/78/56/29/411785629.db2.gz FMYWAPNAXVOALH-HTQZYQBOSA-N 1 2 217.276 1.208 20 0 BDADLO CC(C)c1nc(N2C[C@@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000663945276 411785898 /nfs/dbraw/zinc/78/58/98/411785898.db2.gz FOAQJZUZGXQZLS-NXEZZACHSA-N 1 2 249.362 1.906 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515397 411790955 /nfs/dbraw/zinc/79/09/55/411790955.db2.gz YFQPNIFPAUJWOZ-LDYMZIIASA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515397 411790961 /nfs/dbraw/zinc/79/09/61/411790961.db2.gz YFQPNIFPAUJWOZ-LDYMZIIASA-N 1 2 222.263 1.446 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000661528835 411796136 /nfs/dbraw/zinc/79/61/36/411796136.db2.gz PAQMNYLZDACJOY-JTQLQIEISA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000661528835 411796139 /nfs/dbraw/zinc/79/61/39/411796139.db2.gz PAQMNYLZDACJOY-JTQLQIEISA-N 1 2 225.292 1.235 20 0 BDADLO Cc1nn(C)cc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661539247 411797427 /nfs/dbraw/zinc/79/74/27/411797427.db2.gz OWRBMMQEHUMRIK-NXEZZACHSA-N 1 2 235.331 1.385 20 0 BDADLO Cc1nn(C)c(C)c1OCc1ccc[nH+]c1N ZINC000663983290 411800579 /nfs/dbraw/zinc/80/05/79/411800579.db2.gz FIESPYNQTDKMFF-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO C[C@@H](C(=O)Nc1[nH][nH]c2cc(=O)ccc1-2)[NH+](C)C ZINC000615137291 411806675 /nfs/dbraw/zinc/80/66/75/411806675.db2.gz DPABRYIFJJHRAR-ZETCQYMHSA-N 1 2 248.286 1.157 20 0 BDADLO C[C@@H](C(=O)Nc1n[nH]c2cc(O)ccc21)[NH+](C)C ZINC000615137291 411806678 /nfs/dbraw/zinc/80/66/78/411806678.db2.gz DPABRYIFJJHRAR-ZETCQYMHSA-N 1 2 248.286 1.157 20 0 BDADLO CO[C@@H](COc1cc[nH+]cc1)[C@@H]1CCOC1 ZINC000664016496 411813753 /nfs/dbraw/zinc/81/37/53/411813753.db2.gz PPKXKINAQHCPQZ-PWSUYJOCSA-N 1 2 223.272 1.512 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@@H](COC)OC ZINC000664020817 411816980 /nfs/dbraw/zinc/81/69/80/411816980.db2.gz VKMIPFTYOPFKFZ-LLVKDONJSA-N 1 2 239.315 1.993 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2COCCO2)c(C)o1 ZINC000661614285 411818418 /nfs/dbraw/zinc/81/84/18/411818418.db2.gz ODCAUKIDDQMQFL-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2COCCO2)c(C)o1 ZINC000661614285 411818422 /nfs/dbraw/zinc/81/84/22/411818422.db2.gz ODCAUKIDDQMQFL-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264839552 170772262 /nfs/dbraw/zinc/77/22/62/170772262.db2.gz KUWCKUVFGTXLMZ-HTQZYQBOSA-N 1 2 209.293 1.883 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1NC/C=C/CO ZINC000664238303 411894218 /nfs/dbraw/zinc/89/42/18/411894218.db2.gz XHAXLWZHPIHPID-ONEGZZNKSA-N 1 2 249.314 1.631 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000661852635 411902172 /nfs/dbraw/zinc/90/21/72/411902172.db2.gz ATMLRHFQEGNUBA-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000661852635 411902176 /nfs/dbraw/zinc/90/21/76/411902176.db2.gz ATMLRHFQEGNUBA-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(CN(C)c2[nH]c3ccccc3[nH+]2)o1 ZINC000664299655 411915395 /nfs/dbraw/zinc/91/53/95/411915395.db2.gz ZQSIHSWQSXPVJJ-UHFFFAOYSA-N 1 2 243.270 1.891 20 0 BDADLO Cc1nc(NCCO[C@@H]2CC2(F)F)cc[nH+]1 ZINC000664310110 411919403 /nfs/dbraw/zinc/91/94/03/411919403.db2.gz ZKUXVOZSASWZTR-MRVPVSSYSA-N 1 2 229.230 1.621 20 0 BDADLO COCc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661970758 411926898 /nfs/dbraw/zinc/92/68/98/411926898.db2.gz MAFKTLYPQAFFOQ-RKDXNWHRSA-N 1 2 223.276 1.058 20 0 BDADLO COCc1noc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661970758 411926903 /nfs/dbraw/zinc/92/69/03/411926903.db2.gz MAFKTLYPQAFFOQ-RKDXNWHRSA-N 1 2 223.276 1.058 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661978842 411933776 /nfs/dbraw/zinc/93/37/76/411933776.db2.gz RIIIUCNEUHZNOS-UWVGGRQHSA-N 1 2 235.287 1.263 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661978842 411933780 /nfs/dbraw/zinc/93/37/80/411933780.db2.gz RIIIUCNEUHZNOS-UWVGGRQHSA-N 1 2 235.287 1.263 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccn(C)n1 ZINC000661980297 411934009 /nfs/dbraw/zinc/93/40/09/411934009.db2.gz HMHBTDVJXLRFBH-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccn(C)n1 ZINC000661980297 411934011 /nfs/dbraw/zinc/93/40/11/411934011.db2.gz HMHBTDVJXLRFBH-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO CO[C@H](CNc1cc(C)[nH+]cn1)[C@@H]1CCOC1 ZINC000664160789 411874838 /nfs/dbraw/zinc/87/48/38/411874838.db2.gz DZCSJARSQSIKQW-GHMZBOCLSA-N 1 2 237.303 1.248 20 0 BDADLO CC[C@@H]1C[C@@H](Nc2nc(C)[nH+]c(N)n2)CCO1 ZINC000631308942 411883676 /nfs/dbraw/zinc/88/36/76/411883676.db2.gz HWCGREVFTLACEW-DTWKUNHWSA-N 1 2 237.307 1.132 20 0 BDADLO CC[C@@H]1C[C@@H](Nc2nc(N)nc(C)[nH+]2)CCO1 ZINC000631308942 411883682 /nfs/dbraw/zinc/88/36/82/411883682.db2.gz HWCGREVFTLACEW-DTWKUNHWSA-N 1 2 237.307 1.132 20 0 BDADLO Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000664467051 411966177 /nfs/dbraw/zinc/96/61/77/411966177.db2.gz KSFSPCCKQFVMNN-MNOVXSKESA-N 1 2 221.304 1.789 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@H](O)C12CCC2 ZINC000664469152 411967652 /nfs/dbraw/zinc/96/76/52/411967652.db2.gz LYGVBWRUGUYLCV-UWVGGRQHSA-N 1 2 249.314 1.509 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]2C[C@H]2C1 ZINC000664523826 411976239 /nfs/dbraw/zinc/97/62/39/411976239.db2.gz JMDIPXVBDBCBKB-IUCAKERBSA-N 1 2 229.287 1.210 20 0 BDADLO Cc1nc(N2CC[C@@H]3C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000664525248 411977573 /nfs/dbraw/zinc/97/75/73/411977573.db2.gz NUIHIOIRCSFSPC-NXEZZACHSA-N 1 2 233.319 1.092 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000664525248 411977576 /nfs/dbraw/zinc/97/75/76/411977576.db2.gz NUIHIOIRCSFSPC-NXEZZACHSA-N 1 2 233.319 1.092 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662081227 411978434 /nfs/dbraw/zinc/97/84/34/411978434.db2.gz WKOKYOBAEJIVHI-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662081227 411978438 /nfs/dbraw/zinc/97/84/38/411978438.db2.gz WKOKYOBAEJIVHI-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1=CCCC1 ZINC000664541920 411981733 /nfs/dbraw/zinc/98/17/33/411981733.db2.gz FFGHQWDBICIFAN-UHFFFAOYSA-N 1 2 220.276 1.590 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1=CCCC1 ZINC000664541920 411981735 /nfs/dbraw/zinc/98/17/35/411981735.db2.gz FFGHQWDBICIFAN-UHFFFAOYSA-N 1 2 220.276 1.590 20 0 BDADLO CCc1cc(NC2([C@H](C)O)CC2)nc[nH+]1 ZINC000664551894 411984675 /nfs/dbraw/zinc/98/46/75/411984675.db2.gz VWQHPULFDKRHME-QMMMGPOBSA-N 1 2 207.277 1.364 20 0 BDADLO c1ccc(N2CC[C@@H]3COC[C@@H]3C2)[nH+]c1 ZINC000664554361 411985316 /nfs/dbraw/zinc/98/53/16/411985316.db2.gz AFIZEZTZKIKKLH-MNOVXSKESA-N 1 2 204.273 1.554 20 0 BDADLO C[C@@H](O)C1(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000664551901 411985501 /nfs/dbraw/zinc/98/55/01/411985501.db2.gz WBFYBNPZHGMQPG-MRVPVSSYSA-N 1 2 219.288 1.679 20 0 BDADLO Cc1cc(N2CC[C@@H]3COC[C@H]3C2)nc[nH+]1 ZINC000664556043 411986287 /nfs/dbraw/zinc/98/62/87/411986287.db2.gz IWLGRTJZHCZRNZ-GHMZBOCLSA-N 1 2 219.288 1.258 20 0 BDADLO Cc1nc(N2CC[C@H]3COC[C@H]3C2)cc[nH+]1 ZINC000664557452 411986614 /nfs/dbraw/zinc/98/66/14/411986614.db2.gz QVIZKHSXWXWLGG-WDEREUQCSA-N 1 2 219.288 1.258 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCc2nccnc2C1 ZINC000662119141 411989850 /nfs/dbraw/zinc/98/98/50/411989850.db2.gz LIGSDWPVENRPKN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ncccc1C[N@H+]1CCc2nccnc2C1 ZINC000662119141 411989852 /nfs/dbraw/zinc/98/98/52/411989852.db2.gz LIGSDWPVENRPKN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO c1ccc(C[N@@H+]2CCc3nccnc3C2)nc1 ZINC000662125473 411993233 /nfs/dbraw/zinc/99/32/33/411993233.db2.gz URBFACHQVRQKBC-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1ccc(C[N@H+]2CCc3nccnc3C2)nc1 ZINC000662125473 411993237 /nfs/dbraw/zinc/99/32/37/411993237.db2.gz URBFACHQVRQKBC-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCc2nccnc2C1 ZINC000662123684 411993909 /nfs/dbraw/zinc/99/39/09/411993909.db2.gz CIYAAPXGCIXTRF-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCc2nccnc2C1 ZINC000662123684 411993912 /nfs/dbraw/zinc/99/39/12/411993912.db2.gz CIYAAPXGCIXTRF-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO c1cncc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000662125178 411993920 /nfs/dbraw/zinc/99/39/20/411993920.db2.gz SWLXMTHLONRKEJ-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1cncc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000662125178 411993923 /nfs/dbraw/zinc/99/39/23/411993923.db2.gz SWLXMTHLONRKEJ-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO O[C@H]1C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000664644893 412005441 /nfs/dbraw/zinc/00/54/41/412005441.db2.gz VIRKMKSSVSKAIX-XYPYZODXSA-N 1 2 248.330 1.402 20 0 BDADLO O[C@H]1C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000664644893 412005446 /nfs/dbraw/zinc/00/54/46/412005446.db2.gz VIRKMKSSVSKAIX-XYPYZODXSA-N 1 2 248.330 1.402 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCOCCF)[nH+]1 ZINC000664674224 412008024 /nfs/dbraw/zinc/00/80/24/412008024.db2.gz HZEYRGMJKAWXQG-UHFFFAOYSA-N 1 2 238.266 1.664 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@@H](C)O)cc[nH+]1 ZINC000664440035 411957951 /nfs/dbraw/zinc/95/79/51/411957951.db2.gz UAMHMSRQVSFWBH-PSASIEDQSA-N 1 2 207.277 1.135 20 0 BDADLO CCc1noc(C[N@H+](C)CC2=CCSC2)n1 ZINC000662270428 412060170 /nfs/dbraw/zinc/06/01/70/412060170.db2.gz RLXNIZWQKLRYHA-UHFFFAOYSA-N 1 2 239.344 1.737 20 0 BDADLO CCc1noc(C[N@@H+](C)CC2=CCSC2)n1 ZINC000662270428 412060174 /nfs/dbraw/zinc/06/01/74/412060174.db2.gz RLXNIZWQKLRYHA-UHFFFAOYSA-N 1 2 239.344 1.737 20 0 BDADLO C[C@H](C[N@H+](C)CC1=CCSC1)S(C)(=O)=O ZINC000662265440 412055493 /nfs/dbraw/zinc/05/54/93/412055493.db2.gz ANMFJVVQJYPHOB-SECBINFHSA-N 1 2 249.401 1.025 20 0 BDADLO C[C@H](C[N@@H+](C)CC1=CCSC1)S(C)(=O)=O ZINC000662265440 412055496 /nfs/dbraw/zinc/05/54/96/412055496.db2.gz ANMFJVVQJYPHOB-SECBINFHSA-N 1 2 249.401 1.025 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H](C)C1CC1 ZINC000134087479 412056722 /nfs/dbraw/zinc/05/67/22/412056722.db2.gz OELQOCJVKKGAEP-SSDOTTSWSA-N 1 2 222.292 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H](C)C1CC1 ZINC000134087479 412056724 /nfs/dbraw/zinc/05/67/24/412056724.db2.gz OELQOCJVKKGAEP-SSDOTTSWSA-N 1 2 222.292 1.525 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000280973783 171003391 /nfs/dbraw/zinc/00/33/91/171003391.db2.gz KRSQJRSCRKLRMZ-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nc(C(=O)OC)co1 ZINC000331572128 171025316 /nfs/dbraw/zinc/02/53/16/171025316.db2.gz RUCHNPUNDJDONO-MRVPVSSYSA-N 1 2 224.260 1.446 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nc(C(=O)OC)co1 ZINC000331572128 171025317 /nfs/dbraw/zinc/02/53/17/171025317.db2.gz RUCHNPUNDJDONO-MRVPVSSYSA-N 1 2 224.260 1.446 20 0 BDADLO CC[C@@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000292203698 171027360 /nfs/dbraw/zinc/02/73/60/171027360.db2.gz GTRGCTYDVJJOPG-MRVPVSSYSA-N 1 2 217.276 1.352 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1noc(COC)n1 ZINC000356242540 171038636 /nfs/dbraw/zinc/03/86/36/171038636.db2.gz ACWWBYILOOXWAY-NXEZZACHSA-N 1 2 239.319 1.979 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1noc(COC)n1 ZINC000356242540 171038637 /nfs/dbraw/zinc/03/86/37/171038637.db2.gz ACWWBYILOOXWAY-NXEZZACHSA-N 1 2 239.319 1.979 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H](C)O1 ZINC000111273251 171076146 /nfs/dbraw/zinc/07/61/46/171076146.db2.gz FCJATDVZCLFNHJ-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H](C)O1 ZINC000111273251 171076149 /nfs/dbraw/zinc/07/61/49/171076149.db2.gz FCJATDVZCLFNHJ-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)[S@@]1=O ZINC000285631225 171087218 /nfs/dbraw/zinc/08/72/18/171087218.db2.gz CVPSGLLYCCAPFF-RDGWCUKFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)[S@@]1=O ZINC000285631225 171087222 /nfs/dbraw/zinc/08/72/22/171087222.db2.gz CVPSGLLYCCAPFF-RDGWCUKFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000296321107 171092995 /nfs/dbraw/zinc/09/29/95/171092995.db2.gz OIIDGICNKHETTG-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000296321107 171092996 /nfs/dbraw/zinc/09/29/96/171092996.db2.gz OIIDGICNKHETTG-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000115741457 171105403 /nfs/dbraw/zinc/10/54/03/171105403.db2.gz SPHMBSVKNFMAMT-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccccn1 ZINC000115741457 171105404 /nfs/dbraw/zinc/10/54/04/171105404.db2.gz SPHMBSVKNFMAMT-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cncn1C ZINC000267598122 171109565 /nfs/dbraw/zinc/10/95/65/171109565.db2.gz KXVXVPXLSYIUOP-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cncn1C ZINC000267598122 171109570 /nfs/dbraw/zinc/10/95/70/171109570.db2.gz KXVXVPXLSYIUOP-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000267598122 171109573 /nfs/dbraw/zinc/10/95/73/171109573.db2.gz KXVXVPXLSYIUOP-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1[nH]ncc1C ZINC000336448904 171111197 /nfs/dbraw/zinc/11/11/97/171111197.db2.gz QNPOWCZOQUVMST-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1[nH]ncc1C ZINC000336448904 171111199 /nfs/dbraw/zinc/11/11/99/171111199.db2.gz QNPOWCZOQUVMST-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1n[nH]cc1C ZINC000336448904 171111201 /nfs/dbraw/zinc/11/12/01/171111201.db2.gz QNPOWCZOQUVMST-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1n[nH]cc1C ZINC000336448904 171111203 /nfs/dbraw/zinc/11/12/03/171111203.db2.gz QNPOWCZOQUVMST-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000356032919 171111521 /nfs/dbraw/zinc/11/15/21/171111521.db2.gz AJMZCVRTONSLSN-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(C)(C)C ZINC000356032919 171111523 /nfs/dbraw/zinc/11/15/23/171111523.db2.gz AJMZCVRTONSLSN-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000339162523 171121114 /nfs/dbraw/zinc/12/11/14/171121114.db2.gz GZCZKDRPPYTUJO-KOLCDFICSA-N 1 2 221.304 1.267 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000370636044 171139947 /nfs/dbraw/zinc/13/99/47/171139947.db2.gz RTJRNLLXMSIKHW-CKYFFXLPSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573666 171242291 /nfs/dbraw/zinc/24/22/91/171242291.db2.gz VVZIRSHJUKSORS-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573666 171242293 /nfs/dbraw/zinc/24/22/93/171242293.db2.gz VVZIRSHJUKSORS-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000363680333 171244803 /nfs/dbraw/zinc/24/48/03/171244803.db2.gz ZFUBAQILEAVPEW-BDAKNGLRSA-N 1 2 239.344 1.544 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1c1nccs1 ZINC000363680333 171244805 /nfs/dbraw/zinc/24/48/05/171244805.db2.gz ZFUBAQILEAVPEW-BDAKNGLRSA-N 1 2 239.344 1.544 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@H](O)C2)c[nH+]1 ZINC000665063694 412078132 /nfs/dbraw/zinc/07/81/32/412078132.db2.gz PJAHLKUEWKQZTC-HAQNSBGRSA-N 1 2 249.314 1.021 20 0 BDADLO CC[C@H](C)NC(=O)CC[NH2+]Cc1cn[nH]c1C ZINC000038014060 171322843 /nfs/dbraw/zinc/32/28/43/171322843.db2.gz PHARVGWSFMUOOV-VIFPVBQESA-N 1 2 238.335 1.113 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000177003334 171323325 /nfs/dbraw/zinc/32/33/25/171323325.db2.gz ZZZFLEPUZSKWJD-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000177003334 171323327 /nfs/dbraw/zinc/32/33/27/171323327.db2.gz ZZZFLEPUZSKWJD-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1cnccc1C ZINC000361433206 171323819 /nfs/dbraw/zinc/32/38/19/171323819.db2.gz BGMRWUUEZKMGKS-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000361433206 171323821 /nfs/dbraw/zinc/32/38/21/171323821.db2.gz BGMRWUUEZKMGKS-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CC[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000047577787 171329651 /nfs/dbraw/zinc/32/96/51/171329651.db2.gz JXCDCLMGWRBVLF-JTQLQIEISA-N 1 2 224.308 1.371 20 0 BDADLO CC[C@H](C)[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000295903419 171368648 /nfs/dbraw/zinc/36/86/48/171368648.db2.gz ZIKBCAZHUUBGSX-GZMMTYOYSA-N 1 2 239.319 1.509 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000309489681 171374832 /nfs/dbraw/zinc/37/48/32/171374832.db2.gz WQZLKJKTASOEDI-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCc1[nH]c[nH+]c1C ZINC000331079722 171380267 /nfs/dbraw/zinc/38/02/67/171380267.db2.gz XFJJOQJNOLEYJC-GZMMTYOYSA-N 1 2 239.319 1.395 20 0 BDADLO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877372 171382170 /nfs/dbraw/zinc/38/21/70/171382170.db2.gz BBBYTTBGPUFVFC-UWVGGRQHSA-N 1 2 238.335 1.911 20 0 BDADLO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877372 171382171 /nfs/dbraw/zinc/38/21/71/171382171.db2.gz BBBYTTBGPUFVFC-UWVGGRQHSA-N 1 2 238.335 1.911 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360817123 171387104 /nfs/dbraw/zinc/38/71/04/171387104.db2.gz LXFRORZROJUDPI-XHNCKOQMSA-N 1 2 234.290 1.534 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000309850394 171399574 /nfs/dbraw/zinc/39/95/74/171399574.db2.gz XMKZVAKDQYVXIW-AXFHLTTASA-N 1 2 231.336 1.181 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](Cc2cccnc2)CCO1 ZINC000662370457 412127379 /nfs/dbraw/zinc/12/73/79/412127379.db2.gz DCZVMKNSTRVHCK-LBPRGKRZSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](Cc2cccnc2)CCO1 ZINC000662370457 412127384 /nfs/dbraw/zinc/12/73/84/412127384.db2.gz DCZVMKNSTRVHCK-LBPRGKRZSA-N 1 2 242.269 1.938 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC2CC1(C)C2 ZINC000662381330 412134018 /nfs/dbraw/zinc/13/40/18/412134018.db2.gz XGNIVTFHYQPVBL-UHFFFAOYSA-N 1 2 235.335 1.458 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC2CC1(C)C2 ZINC000662381330 412134021 /nfs/dbraw/zinc/13/40/21/412134021.db2.gz XGNIVTFHYQPVBL-UHFFFAOYSA-N 1 2 235.335 1.458 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2CC3CC2(C)C3)n1 ZINC000662383022 412136384 /nfs/dbraw/zinc/13/63/84/412136384.db2.gz HIQAFKXDKZJTLJ-QTZUAFFRSA-N 1 2 237.303 1.761 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2CC3CC2(C)C3)n1 ZINC000662383022 412136387 /nfs/dbraw/zinc/13/63/87/412136387.db2.gz HIQAFKXDKZJTLJ-QTZUAFFRSA-N 1 2 237.303 1.761 20 0 BDADLO C[C@@H]1C[C@H](Nc2nccn(C)c2=O)c2[nH+]ccn21 ZINC000621324869 412157896 /nfs/dbraw/zinc/15/78/96/412157896.db2.gz CYLFDIULLXJELT-BDAKNGLRSA-N 1 2 245.286 1.095 20 0 BDADLO CC[C@H](OC)C(=O)NCc1c[nH+]ccc1OC ZINC000294589048 171586665 /nfs/dbraw/zinc/58/66/65/171586665.db2.gz MHNXIPDGNWTOQO-JTQLQIEISA-N 1 2 238.287 1.131 20 0 BDADLO CC[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000293958083 171633699 /nfs/dbraw/zinc/63/36/99/171633699.db2.gz JNFIKFUMXIVGBZ-VIFPVBQESA-N 1 2 207.277 1.353 20 0 BDADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1C ZINC000493523707 412322261 /nfs/dbraw/zinc/32/22/61/412322261.db2.gz NGHBVRZNAMJYJR-ARJAWSKDSA-N 1 2 231.259 1.104 20 0 BDADLO Cc1ccoc1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000665473531 412332617 /nfs/dbraw/zinc/33/26/17/412332617.db2.gz FZASTCCSCRGWFN-UHFFFAOYSA-N 1 2 247.298 1.523 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(CO)cc2)no1 ZINC000133062969 412393595 /nfs/dbraw/zinc/39/35/95/412393595.db2.gz NGOVCMHQFYJMOZ-UHFFFAOYSA-N 1 2 232.283 1.765 20 0 BDADLO c1cn(Cc2nc([C@@H]3CCOC3)cs2)c[nH+]1 ZINC000663220643 412394912 /nfs/dbraw/zinc/39/49/12/412394912.db2.gz SVCPYODEGACEAK-SECBINFHSA-N 1 2 235.312 1.892 20 0 BDADLO C[C@H](NC(=O)NC(C)(C)C)c1[nH+]ccn1C ZINC000663236517 412396946 /nfs/dbraw/zinc/39/69/46/412396946.db2.gz GLXOVAKZYQECJT-QMMMGPOBSA-N 1 2 224.308 1.579 20 0 BDADLO CCc1nc([C@H]2CCC[N@@H+]2C[C@H](C)O)no1 ZINC000369390152 172008404 /nfs/dbraw/zinc/00/84/04/172008404.db2.gz XDDOMHTWEJPYSZ-DTWKUNHWSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nc([C@H]2CCC[N@H+]2C[C@H](C)O)no1 ZINC000369390152 172008407 /nfs/dbraw/zinc/00/84/07/172008407.db2.gz XDDOMHTWEJPYSZ-DTWKUNHWSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nn(C)cc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294142930 172044590 /nfs/dbraw/zinc/04/45/90/172044590.db2.gz PKGHJVBLJUCNEW-SNVBAGLBSA-N 1 2 231.303 1.736 20 0 BDADLO CCc1nnc(C[N@H+](CCCCO)C2CC2)o1 ZINC000304411288 172047843 /nfs/dbraw/zinc/04/78/43/172047843.db2.gz YDNAETDUKNVFDB-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nnc(C[N@@H+](CCCCO)C2CC2)o1 ZINC000304411288 172047844 /nfs/dbraw/zinc/04/78/44/172047844.db2.gz YDNAETDUKNVFDB-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@H](C)OC)o1 ZINC000353206892 172064889 /nfs/dbraw/zinc/06/48/89/172064889.db2.gz SWWBKBJWTBDROD-DTWKUNHWSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@H](C)OC)o1 ZINC000353206892 172064892 /nfs/dbraw/zinc/06/48/92/172064892.db2.gz SWWBKBJWTBDROD-DTWKUNHWSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@H](C)OC)o1 ZINC000353206893 172066034 /nfs/dbraw/zinc/06/60/34/172066034.db2.gz SWWBKBJWTBDROD-IUCAKERBSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H](C)OC)o1 ZINC000353206893 172066035 /nfs/dbraw/zinc/06/60/35/172066035.db2.gz SWWBKBJWTBDROD-IUCAKERBSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1[nH]ncc1C ZINC000292978413 172079018 /nfs/dbraw/zinc/07/90/18/172079018.db2.gz MUOUQGOCCIZNID-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1n[nH]cc1C ZINC000292978413 172079020 /nfs/dbraw/zinc/07/90/20/172079020.db2.gz MUOUQGOCCIZNID-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)C[C@H]2CCCO2)n1 ZINC000330449416 172088972 /nfs/dbraw/zinc/08/89/72/172088972.db2.gz HMMHURKDDQFEFD-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000330449416 172088974 /nfs/dbraw/zinc/08/89/74/172088974.db2.gz HMMHURKDDQFEFD-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cc(C)ncn1 ZINC000293348394 172095085 /nfs/dbraw/zinc/09/50/85/172095085.db2.gz HPNHRROCKVIXGJ-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cc(C)ncn1 ZINC000293348394 172095088 /nfs/dbraw/zinc/09/50/88/172095088.db2.gz HPNHRROCKVIXGJ-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cncnc1 ZINC000293535717 172096732 /nfs/dbraw/zinc/09/67/32/172096732.db2.gz CIFJNHUDJXMQFV-UHFFFAOYSA-N 1 2 232.287 1.659 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cncnc1 ZINC000293535717 172096735 /nfs/dbraw/zinc/09/67/35/172096735.db2.gz CIFJNHUDJXMQFV-UHFFFAOYSA-N 1 2 232.287 1.659 20 0 BDADLO CCc1ocnc1C(=O)Nc1cc[nH+]cc1O ZINC000358340956 172121288 /nfs/dbraw/zinc/12/12/88/172121288.db2.gz QPUTZUPVCHRIIA-UHFFFAOYSA-N 1 2 233.227 1.012 20 0 BDADLO CCc1ocnc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000265740140 172123718 /nfs/dbraw/zinc/12/37/18/172123718.db2.gz BUQHJCPNIDRCQA-SECBINFHSA-N 1 2 248.286 1.252 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000289816579 172166215 /nfs/dbraw/zinc/16/62/15/172166215.db2.gz NWGOXDLXJSVSAI-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000289816579 172166218 /nfs/dbraw/zinc/16/62/18/172166218.db2.gz NWGOXDLXJSVSAI-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cncc(F)c1 ZINC000295875147 172221540 /nfs/dbraw/zinc/22/15/40/172221540.db2.gz XYWDIEUFENKKJA-UHFFFAOYSA-N 1 2 248.261 1.367 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C1CC1)C1CC1 ZINC000295748849 172221814 /nfs/dbraw/zinc/22/18/14/172221814.db2.gz NFOCAWXTQODNNK-UHFFFAOYSA-N 1 2 247.342 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000295584843 172221870 /nfs/dbraw/zinc/22/18/70/172221870.db2.gz HFPJCOBWNYIOMS-WDEREUQCSA-N 1 2 235.331 1.811 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2ncccc2C1 ZINC000366374629 172222133 /nfs/dbraw/zinc/22/21/33/172222133.db2.gz IBEBOCMONGVMDC-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2ncccc2C1 ZINC000366374629 172222134 /nfs/dbraw/zinc/22/21/34/172222134.db2.gz IBEBOCMONGVMDC-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C(\C)C1CC1 ZINC000295811316 172222240 /nfs/dbraw/zinc/22/22/40/172222240.db2.gz SRNAPOGGRHTCSQ-CSKARUKUSA-N 1 2 233.315 1.876 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1nccn1CC ZINC000297321785 172222356 /nfs/dbraw/zinc/22/23/56/172222356.db2.gz WEYBZGVZAZWJPE-UHFFFAOYSA-N 1 2 247.302 1.049 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cccs1 ZINC000295880001 172222687 /nfs/dbraw/zinc/22/26/87/172222687.db2.gz YIYZJNMIENSYPZ-UHFFFAOYSA-N 1 2 235.312 1.895 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000295786889 172222840 /nfs/dbraw/zinc/22/28/40/172222840.db2.gz QRIZNORIFYBRDM-PJXYFTJBSA-N 1 2 247.342 1.955 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1cnccc1C ZINC000357799000 172236152 /nfs/dbraw/zinc/23/61/52/172236152.db2.gz TYDHAFOFDZBZHR-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccsc2)n1 ZINC000294766770 172247596 /nfs/dbraw/zinc/24/75/96/172247596.db2.gz MHKSAGAYEQVJBL-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1ccnc(C)n1 ZINC000352341698 172264934 /nfs/dbraw/zinc/26/49/34/172264934.db2.gz ITFWZBQISBWBDI-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1ccnc(C)n1 ZINC000352341698 172264935 /nfs/dbraw/zinc/26/49/35/172264935.db2.gz ITFWZBQISBWBDI-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000355221226 172269521 /nfs/dbraw/zinc/26/95/21/172269521.db2.gz OBKSHEFWJQSNRE-BXUZGUMPSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000355221226 172269522 /nfs/dbraw/zinc/26/95/22/172269522.db2.gz OBKSHEFWJQSNRE-BXUZGUMPSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1ncnc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361417960 172278051 /nfs/dbraw/zinc/27/80/51/172278051.db2.gz ZNRQMEYFHUWLKJ-LLVKDONJSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361417960 172278053 /nfs/dbraw/zinc/27/80/53/172278053.db2.gz ZNRQMEYFHUWLKJ-LLVKDONJSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369539146 172278452 /nfs/dbraw/zinc/27/84/52/172278452.db2.gz CVWFAXBTBFWYHW-GHMZBOCLSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369539146 172278454 /nfs/dbraw/zinc/27/84/54/172278454.db2.gz CVWFAXBTBFWYHW-GHMZBOCLSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1scnc1C ZINC000309628534 172282090 /nfs/dbraw/zinc/28/20/90/172282090.db2.gz HCHHWRBZCXJKPQ-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CN(C(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000266871186 172322180 /nfs/dbraw/zinc/32/21/80/172322180.db2.gz USMHGEMBORISME-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO CN(C)C(=O)CN(C)c1[nH+]c2ccccc2n1C ZINC000178799939 172364311 /nfs/dbraw/zinc/36/43/11/172364311.db2.gz YONOYHJJXJYHLF-UHFFFAOYSA-N 1 2 246.314 1.098 20 0 BDADLO CN(CCO)c1[nH+]ccc2ccc(F)cc21 ZINC000336377235 172761718 /nfs/dbraw/zinc/76/17/18/172761718.db2.gz QEPDOJONOHVVPL-UHFFFAOYSA-N 1 2 220.247 1.802 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)[C@H]1CCOC1 ZINC000294725459 172840457 /nfs/dbraw/zinc/84/04/57/172840457.db2.gz GLFSALVVLDSHHE-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)[C@H]1CCOC1 ZINC000294725459 172840459 /nfs/dbraw/zinc/84/04/59/172840459.db2.gz GLFSALVVLDSHHE-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)C1CC(O)C1 ZINC000353280510 172950928 /nfs/dbraw/zinc/95/09/28/172950928.db2.gz CVGRSZJEKJCZBJ-UHFFFAOYSA-N 1 2 219.288 1.314 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000082336784 173049632 /nfs/dbraw/zinc/04/96/32/173049632.db2.gz DWHXYENWADGQQN-NSHDSACASA-N 1 2 240.253 1.998 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000082336784 173049634 /nfs/dbraw/zinc/04/96/34/173049634.db2.gz DWHXYENWADGQQN-NSHDSACASA-N 1 2 240.253 1.998 20 0 BDADLO C[NH+]1CCN(C(=O)c2sccc2F)CC1 ZINC000335571576 173073176 /nfs/dbraw/zinc/07/31/76/173073176.db2.gz KURMATNCURNBBO-UHFFFAOYSA-N 1 2 228.292 1.275 20 0 BDADLO CN1CC[N@H+](Cc2cc3ccccc3o2)CC1=O ZINC000178538959 173087721 /nfs/dbraw/zinc/08/77/21/173087721.db2.gz RKNOIYBSNQEURF-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO CN1CC[N@@H+](Cc2cc3ccccc3o2)CC1=O ZINC000178538959 173087724 /nfs/dbraw/zinc/08/77/24/173087724.db2.gz RKNOIYBSNQEURF-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO CN1CC[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1=O ZINC000301574938 173126657 /nfs/dbraw/zinc/12/66/57/173126657.db2.gz LZAPRVOJDHAGGJ-SECBINFHSA-N 1 2 248.330 1.417 20 0 BDADLO CNC(=O)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000274549904 173227512 /nfs/dbraw/zinc/22/75/12/173227512.db2.gz WZAUUTDOSWYGNE-UHFFFAOYSA-N 1 2 240.253 1.143 20 0 BDADLO CNC(=O)C1C[NH+](Cc2cc(Cl)cs2)C1 ZINC000297281961 173228392 /nfs/dbraw/zinc/22/83/92/173228392.db2.gz ABMHOBPMKONVOW-UHFFFAOYSA-N 1 2 244.747 1.579 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000042977831 173270823 /nfs/dbraw/zinc/27/08/23/173270823.db2.gz QHWFHSVWAHZREB-UHFFFAOYSA-N 1 2 226.707 1.518 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000042977831 173270825 /nfs/dbraw/zinc/27/08/25/173270825.db2.gz QHWFHSVWAHZREB-UHFFFAOYSA-N 1 2 226.707 1.518 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841509 173274575 /nfs/dbraw/zinc/27/45/75/173274575.db2.gz PZLKRFHJNOTXAE-UHFFFAOYSA-N 1 2 243.310 1.272 20 0 BDADLO CNC(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178841509 173274576 /nfs/dbraw/zinc/27/45/76/173274576.db2.gz PZLKRFHJNOTXAE-UHFFFAOYSA-N 1 2 243.310 1.272 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374539884 173275035 /nfs/dbraw/zinc/27/50/35/173275035.db2.gz VDNDKLBSBRYDEP-CYBMUJFWSA-N 1 2 236.290 1.303 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374539884 173275036 /nfs/dbraw/zinc/27/50/36/173275036.db2.gz VDNDKLBSBRYDEP-CYBMUJFWSA-N 1 2 236.290 1.303 20 0 BDADLO CNC(=O)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000049021077 173277733 /nfs/dbraw/zinc/27/77/33/173277733.db2.gz WRRGUFVDPSUWEQ-UHFFFAOYSA-N 1 2 241.360 1.276 20 0 BDADLO CNC(=O)Cc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715060 173283831 /nfs/dbraw/zinc/28/38/31/173283831.db2.gz QQVLMRYAVJECIU-UHFFFAOYSA-N 1 2 244.298 1.310 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CC=CC[C@H]2C)n1 ZINC000333950309 173399735 /nfs/dbraw/zinc/39/97/35/173399735.db2.gz XZZSZZONRJWACD-RKDXNWHRSA-N 1 2 207.277 1.859 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC1CCCCC1)[C@H](C)O ZINC000361605350 173802945 /nfs/dbraw/zinc/80/29/45/173802945.db2.gz WUPNYHOLNGXAES-CMPLNLGQSA-N 1 2 243.347 1.469 20 0 BDADLO COC1(C[NH2+]CC(F)(F)CO)CCCC1 ZINC000336768833 174000908 /nfs/dbraw/zinc/00/09/08/174000908.db2.gz UNCYBNBCMIYAQX-UHFFFAOYSA-N 1 2 223.263 1.163 20 0 BDADLO COC1CC[NH+](Cc2csnn2)CC1 ZINC000336650118 174029749 /nfs/dbraw/zinc/02/97/49/174029749.db2.gz AAFHMWFOPSFVKF-UHFFFAOYSA-N 1 2 213.306 1.149 20 0 BDADLO COCC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000278576677 174059621 /nfs/dbraw/zinc/05/96/21/174059621.db2.gz JFCDUVWENQMFMP-UHFFFAOYSA-N 1 2 248.286 1.214 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000292404045 174079890 /nfs/dbraw/zinc/07/98/90/174079890.db2.gz TZWXETQKTGGHOA-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000292404045 174079892 /nfs/dbraw/zinc/07/98/92/174079892.db2.gz TZWXETQKTGGHOA-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO COCC1(CCNc2cc(C)[nH+]cn2)CCC1 ZINC000338736780 174094511 /nfs/dbraw/zinc/09/45/11/174094511.db2.gz UCXRREKHJPRAAH-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO COCC1(C[N@H+](C)Cc2nncn2C)CCC1 ZINC000361382283 174096547 /nfs/dbraw/zinc/09/65/47/174096547.db2.gz ULPSJSNCYNRIAS-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO COCC1(C[N@@H+](C)Cc2nncn2C)CCC1 ZINC000361382283 174096549 /nfs/dbraw/zinc/09/65/49/174096549.db2.gz ULPSJSNCYNRIAS-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO COCC1(CNc2cccc[nH+]2)CCOCC1 ZINC000291860122 174106608 /nfs/dbraw/zinc/10/66/08/174106608.db2.gz MXMATLAPJJBZJX-UHFFFAOYSA-N 1 2 236.315 1.937 20 0 BDADLO COCC1([NH2+]Cc2cn[nH]c2C)CCC1 ZINC000284154545 174109022 /nfs/dbraw/zinc/10/90/22/174109022.db2.gz VYAXOPPFOOODBG-UHFFFAOYSA-N 1 2 209.293 1.377 20 0 BDADLO COCC1([NH2+]Cc2csnn2)CCC1 ZINC000308520569 174110562 /nfs/dbraw/zinc/11/05/62/174110562.db2.gz OMZYEHZUEZQMNH-UHFFFAOYSA-N 1 2 213.306 1.197 20 0 BDADLO COCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075531955 174123269 /nfs/dbraw/zinc/12/32/69/174123269.db2.gz BYENIFUXDFWNCF-SNVBAGLBSA-N 1 2 237.303 1.152 20 0 BDADLO COCCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000297654602 174138609 /nfs/dbraw/zinc/13/86/09/174138609.db2.gz DQXYQKHYULYBRU-UHFFFAOYSA-N 1 2 248.282 1.824 20 0 BDADLO COCCC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000273779372 174140449 /nfs/dbraw/zinc/14/04/49/174140449.db2.gz XCYCXNPXTMFRRO-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO COCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178368841 174166410 /nfs/dbraw/zinc/16/64/10/174166410.db2.gz BDPQNCOEMWXJRN-UHFFFAOYSA-N 1 2 247.298 1.377 20 0 BDADLO COCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000087437073 174168461 /nfs/dbraw/zinc/16/84/61/174168461.db2.gz POPOVFXYPIYTGQ-UHFFFAOYSA-N 1 2 209.249 1.029 20 0 BDADLO COCCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299395487 174172441 /nfs/dbraw/zinc/17/24/41/174172441.db2.gz UVYZPFQJGIYMBX-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO COCCC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000330827488 174228538 /nfs/dbraw/zinc/22/85/38/174228538.db2.gz JADXXHCGSRQXQB-SECBINFHSA-N 1 2 240.307 1.074 20 0 BDADLO COCCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000330827488 174228541 /nfs/dbraw/zinc/22/85/41/174228541.db2.gz JADXXHCGSRQXQB-SECBINFHSA-N 1 2 240.307 1.074 20 0 BDADLO COCCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287466437 174242960 /nfs/dbraw/zinc/24/29/60/174242960.db2.gz JDKFOJPVGLYIDF-UHFFFAOYSA-N 1 2 237.303 1.856 20 0 BDADLO COCC[N@H+](C)Cc1cc(F)ncc1F ZINC000294556006 174281114 /nfs/dbraw/zinc/28/11/14/174281114.db2.gz LIPMDHDWKOPYSR-UHFFFAOYSA-N 1 2 216.231 1.438 20 0 BDADLO COCC[N@@H+](C)Cc1cc(F)ncc1F ZINC000294556006 174281117 /nfs/dbraw/zinc/28/11/17/174281117.db2.gz LIPMDHDWKOPYSR-UHFFFAOYSA-N 1 2 216.231 1.438 20 0 BDADLO COCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000265350828 174283128 /nfs/dbraw/zinc/28/31/28/174283128.db2.gz KHVKEGNTGLHHBY-UHFFFAOYSA-N 1 2 221.304 1.745 20 0 BDADLO COCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000272922504 174284262 /nfs/dbraw/zinc/28/42/62/174284262.db2.gz TYFGXBYKRPQGMA-UHFFFAOYSA-N 1 2 235.331 1.746 20 0 BDADLO COCC[N@H+](Cc1ccon1)[C@H]1CCO[C@@H]1C ZINC000352357814 174301458 /nfs/dbraw/zinc/30/14/58/174301458.db2.gz POWPYKGKZMIMFZ-PWSUYJOCSA-N 1 2 240.303 1.300 20 0 BDADLO COCC[N@@H+](Cc1ccon1)[C@H]1CCO[C@@H]1C ZINC000352357814 174301459 /nfs/dbraw/zinc/30/14/59/174301459.db2.gz POWPYKGKZMIMFZ-PWSUYJOCSA-N 1 2 240.303 1.300 20 0 BDADLO COCCN1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000120902810 174309653 /nfs/dbraw/zinc/30/96/53/174309653.db2.gz NZUCTFCDUJMAGD-UHFFFAOYSA-N 1 2 238.331 1.352 20 0 BDADLO COCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375775803 174311044 /nfs/dbraw/zinc/31/10/44/174311044.db2.gz FAZFVWMTUWNLDM-SNVBAGLBSA-N 1 2 211.261 1.299 20 0 BDADLO COCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375775803 174311046 /nfs/dbraw/zinc/31/10/46/174311046.db2.gz FAZFVWMTUWNLDM-SNVBAGLBSA-N 1 2 211.261 1.299 20 0 BDADLO COCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121173605 174312419 /nfs/dbraw/zinc/31/24/19/174312419.db2.gz IQSNABOUOWTORC-NSHDSACASA-N 1 2 211.261 1.299 20 0 BDADLO COCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121173605 174312420 /nfs/dbraw/zinc/31/24/20/174312420.db2.gz IQSNABOUOWTORC-NSHDSACASA-N 1 2 211.261 1.299 20 0 BDADLO COCC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000247846967 174330676 /nfs/dbraw/zinc/33/06/76/174330676.db2.gz NGBSWQYDMPZHDK-UHFFFAOYSA-N 1 2 239.319 1.773 20 0 BDADLO COCCOCCC(=O)Nc1cc[nH+]cc1C ZINC000107289095 174348693 /nfs/dbraw/zinc/34/86/93/174348693.db2.gz BLXGIEYWZNDTBD-UHFFFAOYSA-N 1 2 238.287 1.382 20 0 BDADLO COCCOCC[N@H+](C)Cc1cscn1 ZINC000175598153 174351536 /nfs/dbraw/zinc/35/15/36/174351536.db2.gz WZBZRRKCOPIPGM-UHFFFAOYSA-N 1 2 230.333 1.238 20 0 BDADLO COCCOC[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000336775569 174361899 /nfs/dbraw/zinc/36/18/99/174361899.db2.gz ZIWOCELZLASXEZ-SNVBAGLBSA-N 1 2 225.292 1.248 20 0 BDADLO COC[C@@H]1CCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000297612874 174510626 /nfs/dbraw/zinc/51/06/26/174510626.db2.gz BASBHZOOMHEGLC-NSHDSACASA-N 1 2 235.287 1.643 20 0 BDADLO COC[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000277659161 174527562 /nfs/dbraw/zinc/52/75/62/174527562.db2.gz OWSBQXSNUPOULH-VHSXEESVSA-N 1 2 239.319 1.506 20 0 BDADLO COC[C@H](C)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000153607178 174552771 /nfs/dbraw/zinc/55/27/71/174552771.db2.gz IANJFPHIVREQDE-NSHDSACASA-N 1 2 238.331 1.562 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000374699302 174699125 /nfs/dbraw/zinc/69/91/25/174699125.db2.gz SYYUWVNBRITEOU-JTQLQIEISA-N 1 2 209.293 1.042 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCn2cc(C)nc2C1 ZINC000374699302 174699126 /nfs/dbraw/zinc/69/91/26/174699126.db2.gz SYYUWVNBRITEOU-JTQLQIEISA-N 1 2 209.293 1.042 20 0 BDADLO COc1ccc(C)cc1C[NH+]1CC(OC)C1 ZINC000358464208 175075148 /nfs/dbraw/zinc/07/51/48/175075148.db2.gz WYWKOAQVRIPPBQ-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123460431 175099502 /nfs/dbraw/zinc/09/95/02/175099502.db2.gz YXTHSLRQYKQGPO-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123460431 175099503 /nfs/dbraw/zinc/09/95/03/175099503.db2.gz YXTHSLRQYKQGPO-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1C ZINC000271175408 175099643 /nfs/dbraw/zinc/09/96/43/175099643.db2.gz FFWWIEUPNQCXHS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1C ZINC000271175408 175099645 /nfs/dbraw/zinc/09/96/45/175099645.db2.gz FFWWIEUPNQCXHS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000049714745 175108593 /nfs/dbraw/zinc/10/85/93/175108593.db2.gz KZOUQVZVUCSMJR-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc[nH]2)cc1O ZINC000067670274 175108793 /nfs/dbraw/zinc/10/87/93/175108793.db2.gz GGAPAFJTZQGBSW-UHFFFAOYSA-N 1 2 233.271 1.414 20 0 BDADLO COc1ccc([NH2+]C(C)C)cc1-n1nnnc1C ZINC000174956948 175149645 /nfs/dbraw/zinc/14/96/45/175149645.db2.gz OLSLNEGLMMUFSK-UHFFFAOYSA-N 1 2 247.302 1.800 20 0 BDADLO COc1ccc([NH2+]CC(C)C)cc1-n1cnnn1 ZINC000267247291 175150859 /nfs/dbraw/zinc/15/08/59/175150859.db2.gz SZWILXCVQWLUPM-UHFFFAOYSA-N 1 2 247.302 1.739 20 0 BDADLO COc1ccc(NCc2[nH]cc[nH+]2)cn1 ZINC000049714452 175153368 /nfs/dbraw/zinc/15/33/68/175153368.db2.gz YVMSMNUGVONVDQ-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO COc1ccc(N[C@@H]2CCn3cc[nH+]c32)cn1 ZINC000294264372 175154656 /nfs/dbraw/zinc/15/46/56/175154656.db2.gz XMWCPTQLVAPLJQ-SNVBAGLBSA-N 1 2 230.271 1.844 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2nnnn2C)cc1 ZINC000341214018 175189245 /nfs/dbraw/zinc/18/92/45/175189245.db2.gz ATIXLXVCACLSRJ-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(N)=O)C2 ZINC000289422982 175206645 /nfs/dbraw/zinc/20/66/45/175206645.db2.gz CCVWNAZQBPCNDD-UHFFFAOYSA-N 1 2 246.310 1.028 20 0 BDADLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(N)=O)C2 ZINC000289422982 175206646 /nfs/dbraw/zinc/20/66/46/175206646.db2.gz CCVWNAZQBPCNDD-UHFFFAOYSA-N 1 2 246.310 1.028 20 0 BDADLO COc1ccc2[nH+]c(C)cc(OCCO)c2c1 ZINC000053994808 175227621 /nfs/dbraw/zinc/22/76/21/175227621.db2.gz OVTYDIHHVDXLCO-UHFFFAOYSA-N 1 2 233.267 1.923 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000171859135 175259581 /nfs/dbraw/zinc/25/95/81/175259581.db2.gz QUQVNNWRAANMSJ-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000171859135 175259582 /nfs/dbraw/zinc/25/95/82/175259582.db2.gz QUQVNNWRAANMSJ-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(CNCC[N@H+]2CC=CCC2)n1 ZINC000279797893 175264779 /nfs/dbraw/zinc/26/47/79/175264779.db2.gz NBJXGVIXKDBQDD-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO COc1cccc(CNCC[N@@H+]2CC=CCC2)n1 ZINC000279797893 175264781 /nfs/dbraw/zinc/26/47/81/175264781.db2.gz NBJXGVIXKDBQDD-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO COc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000010809218 175276867 /nfs/dbraw/zinc/27/68/67/175276867.db2.gz NXJKGSSSFWAAAS-UHFFFAOYSA-N 1 2 231.255 1.530 20 0 BDADLO COc1cccc([C@@H](C)[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000336297766 175286745 /nfs/dbraw/zinc/28/67/45/175286745.db2.gz KBAGWOXFJJMMBJ-GHMZBOCLSA-N 1 2 248.326 1.577 20 0 BDADLO COc1cccc([C@@H](C)[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000336297766 175286746 /nfs/dbraw/zinc/28/67/46/175286746.db2.gz KBAGWOXFJJMMBJ-GHMZBOCLSA-N 1 2 248.326 1.577 20 0 BDADLO COc1ccccc1C[NH+]1CC(NC(C)=O)C1 ZINC000291512498 175325469 /nfs/dbraw/zinc/32/54/69/175325469.db2.gz XPOHLICZKYSEAW-UHFFFAOYSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000123508594 175327437 /nfs/dbraw/zinc/32/74/37/175327437.db2.gz VKSDVHMMPFQEJJ-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000123508594 175327438 /nfs/dbraw/zinc/32/74/38/175327438.db2.gz VKSDVHMMPFQEJJ-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338968181 175328615 /nfs/dbraw/zinc/32/86/15/175328615.db2.gz LRQPNDPJMBYOGK-BETUJISGSA-N 1 2 249.310 1.295 20 0 BDADLO COc1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338968181 175328616 /nfs/dbraw/zinc/32/86/16/175328616.db2.gz LRQPNDPJMBYOGK-BETUJISGSA-N 1 2 249.310 1.295 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2noc(C)n2)c1 ZINC000273228348 175357895 /nfs/dbraw/zinc/35/78/95/175357895.db2.gz VXWWBKONROEVDJ-UHFFFAOYSA-N 1 2 248.286 1.414 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2nccn2C)c1 ZINC000273159033 175358843 /nfs/dbraw/zinc/35/88/43/175358843.db2.gz NFSHSSULZHJGKE-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccnc(N(C)CCCn2cc[nH+]c2)n1 ZINC000268947787 175361177 /nfs/dbraw/zinc/36/11/77/175361177.db2.gz HJMXDAHGIQFRJO-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO COc1ccnc(Cn2cc[nH+]c2)c1OC ZINC000188671920 175361833 /nfs/dbraw/zinc/36/18/33/175361833.db2.gz UMMZIZRNCASRHK-UHFFFAOYSA-N 1 2 219.244 1.344 20 0 BDADLO Cc1cc(NC(=O)C2(CF)CCC2)cc[nH+]1 ZINC000335419987 487630485 /nfs/dbraw/zinc/63/04/85/487630485.db2.gz UPZDHNRCFGYWQF-UHFFFAOYSA-N 1 2 222.263 1.890 20 0 BDADLO COc1ccncc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000287295505 175369592 /nfs/dbraw/zinc/36/95/92/175369592.db2.gz MJQBULNYXCLCSM-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000367882627 175369610 /nfs/dbraw/zinc/36/96/10/175369610.db2.gz ZFXAFJAIXBTICO-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000367882627 175369612 /nfs/dbraw/zinc/36/96/12/175369612.db2.gz ZFXAFJAIXBTICO-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ncoc1C ZINC000294648842 175371755 /nfs/dbraw/zinc/37/17/55/175371755.db2.gz QPYPUNKUWZLHKC-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO COc1ccncc1C[NH2+][C@H](C)c1cnccn1 ZINC000340403813 175373157 /nfs/dbraw/zinc/37/31/57/175373157.db2.gz ROIGPSALZPUXEX-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO COc1cc[nH+]cc1Cn1ccsc1=O ZINC000335912935 175373188 /nfs/dbraw/zinc/37/31/88/175373188.db2.gz DZAYJXIKYAATLJ-UHFFFAOYSA-N 1 2 222.269 1.362 20 0 BDADLO COc1cc[nH+]cc1CSC[C@H](C)CO ZINC000286565787 175373668 /nfs/dbraw/zinc/37/36/68/175373668.db2.gz QEICVGGZUWJYQT-SECBINFHSA-N 1 2 227.329 1.952 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H](C)SC ZINC000288900239 175374206 /nfs/dbraw/zinc/37/42/06/175374206.db2.gz SXWLQVGFLWJNRY-QMMMGPOBSA-N 1 2 241.312 1.885 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC[C@@H](C)OC ZINC000181271730 175374741 /nfs/dbraw/zinc/37/47/41/175374741.db2.gz NTFFRTUGWWGJSY-SECBINFHSA-N 1 2 238.287 1.844 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC1(F)F ZINC000294404885 175375616 /nfs/dbraw/zinc/37/56/16/175375616.db2.gz DDGDSXVBIWQGCM-LURJTMIESA-N 1 2 228.198 1.684 20 0 BDADLO COc1cncc(CN(C)Cc2[nH+]ccn2C)c1 ZINC000289987261 175384774 /nfs/dbraw/zinc/38/47/74/175384774.db2.gz QZCHUCFIWGONHI-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000289443151 175385106 /nfs/dbraw/zinc/38/51/06/175385106.db2.gz OPCFFYCCIYVNDT-KGLIPLIRSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000289443151 175385107 /nfs/dbraw/zinc/38/51/07/175385107.db2.gz OPCFFYCCIYVNDT-KGLIPLIRSA-N 1 2 248.326 1.844 20 0 BDADLO COc1coc(C[N@H+](C)Cc2ccco2)cc1=O ZINC000268682052 175387916 /nfs/dbraw/zinc/38/79/16/175387916.db2.gz XFBBDOKYNXPDNL-UHFFFAOYSA-N 1 2 249.266 1.873 20 0 BDADLO COc1coc(C[N@@H+](C)Cc2ccco2)cc1=O ZINC000268682052 175387918 /nfs/dbraw/zinc/38/79/18/175387918.db2.gz XFBBDOKYNXPDNL-UHFFFAOYSA-N 1 2 249.266 1.873 20 0 BDADLO CSCCNc1nc(N)c2ccccc2[nH+]1 ZINC000131690045 175500100 /nfs/dbraw/zinc/50/01/00/175500100.db2.gz CINJUJJENYNSQX-UHFFFAOYSA-N 1 2 234.328 1.987 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)cn1 ZINC000273138086 175782302 /nfs/dbraw/zinc/78/23/02/175782302.db2.gz RTNOIMZWJGVRDO-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cscn1 ZINC000134619218 175864096 /nfs/dbraw/zinc/86/40/96/175864096.db2.gz UCAVZYNVMRZGJN-MRVPVSSYSA-N 1 2 239.344 1.320 20 0 BDADLO C[C@@H](c1ccccn1)[NH+]1CCN(C2CC2)CC1 ZINC000177058092 176027418 /nfs/dbraw/zinc/02/74/18/176027418.db2.gz OUALDZHDYTUWTR-LBPRGKRZSA-N 1 2 231.343 1.923 20 0 BDADLO C[C@@H](c1noc([C@@H]2C[N@H+](C)CCO2)n1)C1CC1 ZINC000333637752 176041503 /nfs/dbraw/zinc/04/15/03/176041503.db2.gz BREPKFKHYOATMN-SCZZXKLOSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@@H](c1noc([C@@H]2C[N@@H+](C)CCO2)n1)C1CC1 ZINC000333637752 176041505 /nfs/dbraw/zinc/04/15/05/176041505.db2.gz BREPKFKHYOATMN-SCZZXKLOSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000280308994 176092489 /nfs/dbraw/zinc/09/24/89/176092489.db2.gz YFOYVVZSERQTJJ-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283625872 176128723 /nfs/dbraw/zinc/12/87/23/176128723.db2.gz BBNJXMPSWSGYDN-WUIGSMQYSA-N 1 2 219.288 1.728 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000336400881 176135932 /nfs/dbraw/zinc/13/59/32/176135932.db2.gz QHFDJIFSZKYKRE-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000337464191 176150746 /nfs/dbraw/zinc/15/07/46/176150746.db2.gz LVNRTXUVTMTQIZ-MWLCHTKSSA-N 1 2 246.314 1.301 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1O ZINC000299891201 176168664 /nfs/dbraw/zinc/16/86/64/176168664.db2.gz JXBPNFNUTWZUHD-NXEZZACHSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1O ZINC000299891201 176168665 /nfs/dbraw/zinc/16/86/65/176168665.db2.gz JXBPNFNUTWZUHD-NXEZZACHSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)[C@H]1CO ZINC000248979145 176178553 /nfs/dbraw/zinc/17/85/53/176178553.db2.gz UYIPZIJSKWLKTJ-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)[C@H]1CO ZINC000248979145 176178555 /nfs/dbraw/zinc/17/85/55/176178555.db2.gz UYIPZIJSKWLKTJ-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336652061 176178678 /nfs/dbraw/zinc/17/86/78/176178678.db2.gz WFSWEQNQSXSROR-MRVPVSSYSA-N 1 2 226.349 1.446 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336652061 176178681 /nfs/dbraw/zinc/17/86/81/176178681.db2.gz WFSWEQNQSXSROR-MRVPVSSYSA-N 1 2 226.349 1.446 20 0 BDADLO C[C@@H]1CCN(c2cccc[nH+]2)CCS1(=O)=O ZINC000277077974 176181645 /nfs/dbraw/zinc/18/16/45/176181645.db2.gz TYFGZDRSELTIHP-SNVBAGLBSA-N 1 2 240.328 1.095 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336386649 176195355 /nfs/dbraw/zinc/19/53/55/176195355.db2.gz OQOXHVAHXBTJDR-GHMZBOCLSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000120906253 176222126 /nfs/dbraw/zinc/22/21/26/176222126.db2.gz LTTDCOHRMSARJV-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000330973895 176223052 /nfs/dbraw/zinc/22/30/52/176223052.db2.gz UTVDSBMWYDQIQL-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000330973895 176223054 /nfs/dbraw/zinc/22/30/54/176223054.db2.gz UTVDSBMWYDQIQL-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000267695297 176246173 /nfs/dbraw/zinc/24/61/73/176246173.db2.gz QZAWKWSVTOPDNS-PHIMTYICSA-N 1 2 221.304 1.388 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000270917685 176246847 /nfs/dbraw/zinc/24/68/47/176246847.db2.gz DXHOEJWYERLPIQ-VXGBXAGGSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000170863417 176261059 /nfs/dbraw/zinc/26/10/59/176261059.db2.gz MKIZWGJQNZQNGA-SNVBAGLBSA-N 1 2 245.282 1.195 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)[C@@H]1C ZINC000293527370 176284721 /nfs/dbraw/zinc/28/47/21/176284721.db2.gz WPYFESZOPXRCDP-HTQZYQBOSA-N 1 2 225.317 1.422 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)[C@@H]1C ZINC000293527370 176284722 /nfs/dbraw/zinc/28/47/22/176284722.db2.gz WPYFESZOPXRCDP-HTQZYQBOSA-N 1 2 225.317 1.422 20 0 BDADLO C[C@@H]1C[N@H+](CCO)C[C@@H](c2ccsc2)O1 ZINC000246393776 176292875 /nfs/dbraw/zinc/29/28/75/176292875.db2.gz IGQTWMWZXJQGGJ-KOLCDFICSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@@H]1C[N@@H+](CCO)C[C@@H](c2ccsc2)O1 ZINC000246393776 176292877 /nfs/dbraw/zinc/29/28/77/176292877.db2.gz IGQTWMWZXJQGGJ-KOLCDFICSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCC1=O ZINC000229511375 176297139 /nfs/dbraw/zinc/29/71/39/176297139.db2.gz VDHNGUQZRHWJQY-BXUZGUMPSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCC1=O ZINC000229511375 176297141 /nfs/dbraw/zinc/29/71/41/176297141.db2.gz VDHNGUQZRHWJQY-BXUZGUMPSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000132478544 176305654 /nfs/dbraw/zinc/30/56/54/176305654.db2.gz YTNSSRLKFMUXTJ-SNVBAGLBSA-N 1 2 207.273 1.613 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000132478544 176305655 /nfs/dbraw/zinc/30/56/55/176305655.db2.gz YTNSSRLKFMUXTJ-SNVBAGLBSA-N 1 2 207.273 1.613 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)CCS1 ZINC000171694768 176308903 /nfs/dbraw/zinc/30/89/03/176308903.db2.gz BMWBEHWYOVGVSU-SNVBAGLBSA-N 1 2 248.355 1.667 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)CCS1 ZINC000171694768 176308905 /nfs/dbraw/zinc/30/89/05/176308905.db2.gz BMWBEHWYOVGVSU-SNVBAGLBSA-N 1 2 248.355 1.667 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@@]2(CCOC2)O1 ZINC000280642796 176309530 /nfs/dbraw/zinc/30/95/30/176309530.db2.gz YIKQTOCNISIUNC-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@@]2(CCOC2)O1 ZINC000280642796 176309532 /nfs/dbraw/zinc/30/95/32/176309532.db2.gz YIKQTOCNISIUNC-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)CC(C)(C)O1 ZINC000122942668 176309547 /nfs/dbraw/zinc/30/95/47/176309547.db2.gz NDRPGAFRRLRQGG-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)CC(C)(C)O1 ZINC000122942668 176309548 /nfs/dbraw/zinc/30/95/48/176309548.db2.gz NDRPGAFRRLRQGG-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3ccccc23)[C@H](C)CO1 ZINC000179519179 176310348 /nfs/dbraw/zinc/31/03/48/176310348.db2.gz KCXSALHLLVUHRH-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3ccccc23)[C@H](C)CO1 ZINC000179519179 176310349 /nfs/dbraw/zinc/31/03/49/176310349.db2.gz KCXSALHLLVUHRH-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)CC[S@](=O)C1 ZINC000277392811 176310392 /nfs/dbraw/zinc/31/03/92/176310392.db2.gz HCEYTHUZUHEFBV-PSLIRLAXSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)CC[S@](=O)C1 ZINC000277392811 176310393 /nfs/dbraw/zinc/31/03/93/176310393.db2.gz HCEYTHUZUHEFBV-PSLIRLAXSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1CO ZINC000296162988 176310617 /nfs/dbraw/zinc/31/06/17/176310617.db2.gz YWZYRFNWJXAKOB-SFYZADRCSA-N 1 2 246.763 1.857 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1CO ZINC000296162988 176310619 /nfs/dbraw/zinc/31/06/19/176310619.db2.gz YWZYRFNWJXAKOB-SFYZADRCSA-N 1 2 246.763 1.857 20 0 BDADLO C[C@@H]1C[NH+](Cc2nsc(N(C)C)n2)C[C@H]1C ZINC000336696891 176313530 /nfs/dbraw/zinc/31/35/30/176313530.db2.gz HOJLVARTSCYAFB-RKDXNWHRSA-N 1 2 240.376 1.692 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331905603 176363270 /nfs/dbraw/zinc/36/32/70/176363270.db2.gz ZXZWHOPWYYJAGF-NXEZZACHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331905603 176363271 /nfs/dbraw/zinc/36/32/71/176363271.db2.gz ZXZWHOPWYYJAGF-NXEZZACHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000285151541 176398102 /nfs/dbraw/zinc/39/81/02/176398102.db2.gz MGJDLRICUYMRML-YUSALJHKSA-N 1 2 243.314 1.535 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c2nccn21 ZINC000294272021 176421596 /nfs/dbraw/zinc/42/15/96/176421596.db2.gz YAKSFNFIJAJYPC-GJMOJQLCSA-N 1 2 249.236 1.402 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000335635464 177009883 /nfs/dbraw/zinc/00/98/83/177009883.db2.gz LMVWZEBEYWYQEA-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000335635464 177009884 /nfs/dbraw/zinc/00/98/84/177009884.db2.gz LMVWZEBEYWYQEA-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H](O)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000272476336 177015463 /nfs/dbraw/zinc/01/54/63/177015463.db2.gz NWFPNNQEOKIBOB-ONGXEEELSA-N 1 2 233.315 1.561 20 0 BDADLO C[C@H](c1ccco1)[N@H+](CC(=O)N(C)C)C1CC1 ZINC000119253468 177047640 /nfs/dbraw/zinc/04/76/40/177047640.db2.gz MOCZFGUIXDKMNS-SNVBAGLBSA-N 1 2 236.315 1.893 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(C)C)C1CC1 ZINC000119253468 177047642 /nfs/dbraw/zinc/04/76/42/177047642.db2.gz MOCZFGUIXDKMNS-SNVBAGLBSA-N 1 2 236.315 1.893 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)Cc1cnn(C)c1 ZINC000184398867 177050993 /nfs/dbraw/zinc/05/09/93/177050993.db2.gz LICSSKUYCFIGHE-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)Cc1cnn(C)c1 ZINC000184398867 177050995 /nfs/dbraw/zinc/05/09/95/177050995.db2.gz LICSSKUYCFIGHE-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000330095390 177056321 /nfs/dbraw/zinc/05/63/21/177056321.db2.gz VJNBJRXZMKVBSR-RKDXNWHRSA-N 1 2 248.282 1.153 20 0 BDADLO C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000265922751 177091692 /nfs/dbraw/zinc/09/16/92/177091692.db2.gz MHSJNZNKQNIDEJ-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000293868664 177210968 /nfs/dbraw/zinc/21/09/68/177210968.db2.gz ARMKTJGPMBBLCG-DXMIZCBPSA-N 1 2 205.261 1.290 20 0 BDADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC000266893525 177215767 /nfs/dbraw/zinc/21/57/67/177215767.db2.gz FTZHWWKDLONQIS-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccccc2)CC[S@@]1=O ZINC000336571992 177255079 /nfs/dbraw/zinc/25/50/79/177255079.db2.gz UUHDNEOMCRSRKF-LRDDRELGSA-N 1 2 237.368 1.682 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccccc2)CC[S@@]1=O ZINC000336571992 177255081 /nfs/dbraw/zinc/25/50/81/177255081.db2.gz UUHDNEOMCRSRKF-LRDDRELGSA-N 1 2 237.368 1.682 20 0 BDADLO C[C@H]1C[N@H+](CCc2cccnc2)CC[S@@]1=O ZINC000336394904 177256415 /nfs/dbraw/zinc/25/64/15/177256415.db2.gz VPUQGMHBQHVENO-ZBEGNZNMSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cccnc2)CC[S@@]1=O ZINC000336394904 177256417 /nfs/dbraw/zinc/25/64/17/177256417.db2.gz VPUQGMHBQHVENO-ZBEGNZNMSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCC1=O ZINC000307944731 177257006 /nfs/dbraw/zinc/25/70/06/177257006.db2.gz HHCVNKGPCZJVJM-YUMQZZPRSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCC1=O ZINC000307944731 177257008 /nfs/dbraw/zinc/25/70/08/177257008.db2.gz HHCVNKGPCZJVJM-YUMQZZPRSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)ccc2N)CCO1 ZINC000035308391 177260810 /nfs/dbraw/zinc/26/08/10/177260810.db2.gz NNZRHUMJTAKXRF-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2N)CCO1 ZINC000035308391 177260812 /nfs/dbraw/zinc/26/08/12/177260812.db2.gz NNZRHUMJTAKXRF-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(O)c2)CC(=O)N1C ZINC000282738346 177264337 /nfs/dbraw/zinc/26/43/37/177264337.db2.gz MXBMCAGTOBQHTH-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(O)c2)CC(=O)N1C ZINC000282738346 177264338 /nfs/dbraw/zinc/26/43/38/177264338.db2.gz MXBMCAGTOBQHTH-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncs2)CC[S@](=O)C1 ZINC000277392818 177269256 /nfs/dbraw/zinc/26/92/56/177269256.db2.gz HCEYTHUZUHEFBV-VFZGTOFNSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncs2)CC[S@](=O)C1 ZINC000277392818 177269259 /nfs/dbraw/zinc/26/92/59/177269259.db2.gz HCEYTHUZUHEFBV-VFZGTOFNSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@H]1C[NH+](Cc2cnn(C)c2)C[C@H](C)O1 ZINC000070921328 177269463 /nfs/dbraw/zinc/26/94/63/177269463.db2.gz VTRIXKURGGMLIT-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000351805871 177271476 /nfs/dbraw/zinc/27/14/76/177271476.db2.gz CZZXEWFZWNRLPS-JGVFFNPUSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000351805871 177271477 /nfs/dbraw/zinc/27/14/77/177271477.db2.gz CZZXEWFZWNRLPS-JGVFFNPUSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C2CC2)O1 ZINC000279415321 177272355 /nfs/dbraw/zinc/27/23/55/177272355.db2.gz WJVVKRVYFSJNAX-ONGXEEELSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282208112 177275813 /nfs/dbraw/zinc/27/58/13/177275813.db2.gz OGDFILVPBDJAMA-WDEREUQCSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282208112 177275815 /nfs/dbraw/zinc/27/58/15/177275815.db2.gz OGDFILVPBDJAMA-WDEREUQCSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1O ZINC000351499986 177276532 /nfs/dbraw/zinc/27/65/32/177276532.db2.gz FBJGXIFTJIKORH-IONNQARKSA-N 1 2 246.232 1.917 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc(O)c1 ZINC000132609791 177291916 /nfs/dbraw/zinc/29/19/16/177291916.db2.gz MUYHNDSNFVDLPC-JTQLQIEISA-N 1 2 207.273 1.613 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc(O)c1 ZINC000132609791 177291918 /nfs/dbraw/zinc/29/19/18/177291918.db2.gz MUYHNDSNFVDLPC-JTQLQIEISA-N 1 2 207.273 1.613 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000294671082 177293195 /nfs/dbraw/zinc/29/31/95/177293195.db2.gz ANWXLAVDIVPYOM-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000294671082 177293196 /nfs/dbraw/zinc/29/31/96/177293196.db2.gz ANWXLAVDIVPYOM-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000277521259 177295926 /nfs/dbraw/zinc/29/59/26/177295926.db2.gz VEGOGVUNJFTOIR-WPRPVWTQSA-N 1 2 247.302 1.200 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000360488695 177311390 /nfs/dbraw/zinc/31/13/90/177311390.db2.gz JYYYMCMBMIGYBW-GRYCIOLGSA-N 1 2 235.331 1.776 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)NCC2(C)CC2)c2[nH+]ccn21 ZINC000333148977 177328452 /nfs/dbraw/zinc/32/84/52/177328452.db2.gz HPDHGTYNSPDFCS-VHSXEESVSA-N 1 2 248.330 1.988 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292458841 177343019 /nfs/dbraw/zinc/34/30/19/177343019.db2.gz OXKMOHNOAHQEGK-VHSXEESVSA-N 1 2 234.303 1.064 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000276612229 177355159 /nfs/dbraw/zinc/35/51/59/177355159.db2.gz STNZEAJPHKEZGE-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279197653 177357316 /nfs/dbraw/zinc/35/73/16/177357316.db2.gz MFMMFBMOVIDCRG-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[C@@H]1C ZINC000298581853 177380228 /nfs/dbraw/zinc/38/02/28/177380228.db2.gz MTCFTGROTWZDSN-AXFHLTTASA-N 1 2 236.319 1.227 20 0 BDADLO C[C@H]1C[C@H]1Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000072276274 177386102 /nfs/dbraw/zinc/38/61/02/177386102.db2.gz FKGKJIIUDYNUFB-HBNTYKKESA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1C[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000072276274 177386103 /nfs/dbraw/zinc/38/61/03/177386103.db2.gz FKGKJIIUDYNUFB-HBNTYKKESA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1[N@H+](Cc2ccon2)CCOC1(C)C ZINC000336526467 177392299 /nfs/dbraw/zinc/39/22/99/177392299.db2.gz DZDUJZOCHPERMS-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1[N@@H+](Cc2ccon2)CCOC1(C)C ZINC000336526467 177392301 /nfs/dbraw/zinc/39/23/01/177392301.db2.gz DZDUJZOCHPERMS-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1OCC[N@H+](CCC2CC2)[C@@H]1C(N)=O ZINC000331980829 177398473 /nfs/dbraw/zinc/39/84/73/177398473.db2.gz ORKLXSYPCGYYLC-SCZZXKLOSA-N 1 2 212.293 1.411 20 0 BDADLO C[C@H]1OCC[N@@H+](CCC2CC2)[C@@H]1C(N)=O ZINC000331980829 177398474 /nfs/dbraw/zinc/39/84/74/177398474.db2.gz ORKLXSYPCGYYLC-SCZZXKLOSA-N 1 2 212.293 1.411 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C(C)C)no1 ZINC000266937777 177530007 /nfs/dbraw/zinc/53/00/07/177530007.db2.gz ACRWDCDJUPSYDN-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CC[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000674881613 487642011 /nfs/dbraw/zinc/64/20/11/487642011.db2.gz WINJCHHWXAQJIP-LLVKDONJSA-N 1 2 243.314 1.899 20 0 BDADLO CO[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1OC ZINC000487097076 225287578 /nfs/dbraw/zinc/28/75/78/225287578.db2.gz AUGRIDKVMLKKIE-QWRGUYRKSA-N 1 2 249.314 1.204 20 0 BDADLO FC(F)Cn1ncnc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000488153890 225351565 /nfs/dbraw/zinc/35/15/65/225351565.db2.gz TUFHJGLVWZBWFR-RKDXNWHRSA-N 1 2 242.273 1.528 20 0 BDADLO FC(F)Cn1ncnc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000488153890 225351570 /nfs/dbraw/zinc/35/15/70/225351570.db2.gz TUFHJGLVWZBWFR-RKDXNWHRSA-N 1 2 242.273 1.528 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CC(F)(F)C1 ZINC000492764331 226049380 /nfs/dbraw/zinc/04/93/80/226049380.db2.gz JZKKKZAIBAKXHL-UPHRSURJSA-N 1 2 227.214 1.337 20 0 BDADLO Cc1ncc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492776542 226052156 /nfs/dbraw/zinc/05/21/56/226052156.db2.gz ZXOWYPURNMLFPT-IHWYPQMZSA-N 1 2 229.243 1.160 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\C1CC1)C1CC1 ZINC000492803910 226056146 /nfs/dbraw/zinc/05/61/46/226056146.db2.gz SSQYGXPENIEBBL-IRBQFCFKSA-N 1 2 245.326 1.954 20 0 BDADLO CON(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000492810607 226059255 /nfs/dbraw/zinc/05/92/55/226059255.db2.gz IMGYVZNRURJTKT-VOTSOKGWSA-N 1 2 235.287 1.756 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(O)cc1 ZINC000492864674 226070492 /nfs/dbraw/zinc/07/04/92/226070492.db2.gz NROVODVSDWARHY-ZZXKWVIFSA-N 1 2 243.266 1.445 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCC1CC1 ZINC000492866110 226070554 /nfs/dbraw/zinc/07/05/54/226070554.db2.gz PPUGASJAJLKGBB-WAYWQWQTSA-N 1 2 219.288 1.729 20 0 BDADLO CCc1noc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492869094 226071350 /nfs/dbraw/zinc/07/13/50/226071350.db2.gz UGOCGWVAVXEGCB-PLNGDYQASA-N 1 2 246.270 1.920 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(F)(F)F ZINC000492908965 226081076 /nfs/dbraw/zinc/08/10/76/226081076.db2.gz HDZBNAPHUAGRGK-UPHRSURJSA-N 1 2 219.166 1.101 20 0 BDADLO COC1(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493307066 226181569 /nfs/dbraw/zinc/18/15/69/226181569.db2.gz SXTJYIHGTQMJAW-ONEGZZNKSA-N 1 2 249.314 1.498 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CC12CC2 ZINC000493318193 226184478 /nfs/dbraw/zinc/18/44/78/226184478.db2.gz JTQPHIGFKHYAMZ-VWCDRPFISA-N 1 2 217.272 1.339 20 0 BDADLO C[C@H](F)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493324364 226187037 /nfs/dbraw/zinc/18/70/37/226187037.db2.gz PZZLMIUBKVMARW-SGJFDWMWSA-N 1 2 211.240 1.287 20 0 BDADLO CCc1noc(C)c1NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493123015 226133618 /nfs/dbraw/zinc/13/36/18/226133618.db2.gz CLRSANMXYGWWGH-PLNGDYQASA-N 1 2 246.270 1.920 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493126140 226134893 /nfs/dbraw/zinc/13/48/93/226134893.db2.gz QDVQCAVOARQZSS-PFDYWKIBSA-N 1 2 249.314 1.354 20 0 BDADLO COC[C@@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493165254 226142978 /nfs/dbraw/zinc/14/29/78/226142978.db2.gz XQTDESPAEPHETR-GZTOBOFZSA-N 1 2 249.314 1.450 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NOC1CCC1 ZINC000493185331 226147791 /nfs/dbraw/zinc/14/77/91/226147791.db2.gz HOCDFEYEUFUAPW-SNAWJCMRSA-N 1 2 207.233 1.023 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(CO)CCCC1 ZINC000493222166 226158872 /nfs/dbraw/zinc/15/88/72/226158872.db2.gz QITXNWWFPFKRSI-ONEGZZNKSA-N 1 2 249.314 1.092 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CC=CCC1 ZINC000493263538 226169792 /nfs/dbraw/zinc/16/97/92/226169792.db2.gz UMNZHPTWSBHUCL-ZADCQDASSA-N 1 2 231.299 1.895 20 0 BDADLO C[C@H](C[C@@H]1CCCO1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493366291 226197003 /nfs/dbraw/zinc/19/70/03/226197003.db2.gz HZBNHSGDRIXKIX-ZJRFNNFUSA-N 1 2 249.314 1.497 20 0 BDADLO COC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493452964 226221010 /nfs/dbraw/zinc/22/10/10/226221010.db2.gz LKBHSUWLZXRGJH-ORAHPGNNSA-N 1 2 237.303 1.210 20 0 BDADLO C[C@@H]1COC[C@@H](C)N1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493477888 226226608 /nfs/dbraw/zinc/22/66/08/226226608.db2.gz BOOIVJCBMZPYNC-HIHHVFROSA-N 1 2 235.287 1.059 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NOC1CCCCC1 ZINC000493512664 226237233 /nfs/dbraw/zinc/23/72/33/226237233.db2.gz JKXARAHVIYPDDI-VOTSOKGWSA-N 1 2 235.287 1.803 20 0 BDADLO O=C(/C=C/C1CCCC1)NCc1[nH]cc[nH+]1 ZINC000493566128 226243844 /nfs/dbraw/zinc/24/38/44/226243844.db2.gz YNLRVUGDMABBHJ-AATRIKPKSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(C=CC1CCCC1)NCc1[nH]cc[nH+]1 ZINC000493566128 226243845 /nfs/dbraw/zinc/24/38/45/226243845.db2.gz YNLRVUGDMABBHJ-AATRIKPKSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](F)C1 ZINC000493579441 226244353 /nfs/dbraw/zinc/24/43/53/226244353.db2.gz BKYRTIPBWACLIF-HUGTUPKYSA-N 1 2 223.251 1.430 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCS1 ZINC000493672822 226248799 /nfs/dbraw/zinc/24/87/99/226248799.db2.gz IXEIQNIETYANKC-NWALNABHSA-N 1 2 237.328 1.435 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCCO1 ZINC000493699883 226250209 /nfs/dbraw/zinc/25/02/09/226250209.db2.gz WNLXPAXBTLBSRF-SNAWJCMRSA-N 1 2 221.260 1.367 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C2CCC1CC2 ZINC000493759476 226252743 /nfs/dbraw/zinc/25/27/43/226252743.db2.gz UHECBWMGDOGACW-AATRIKPKSA-N 1 2 217.272 1.576 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C=CCCC1 ZINC000493804882 226254889 /nfs/dbraw/zinc/25/48/89/226254889.db2.gz UDIVAAXPLDWGJL-VQCYPWCPSA-N 1 2 217.272 1.648 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCc1cccnc1 ZINC000493815969 226255448 /nfs/dbraw/zinc/25/54/48/226255448.db2.gz GBVAAKWPBPLJFB-ONEGZZNKSA-N 1 2 244.254 1.066 20 0 BDADLO CO[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C(C)C ZINC000493847650 226257099 /nfs/dbraw/zinc/25/70/99/226257099.db2.gz PKLJUXKANDVJJR-LWTINBJPSA-N 1 2 237.303 1.210 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000494954167 226272711 /nfs/dbraw/zinc/27/27/11/226272711.db2.gz GOSNNLFERWWODT-HSWBROFVSA-N 1 2 248.326 1.442 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000494954167 226272712 /nfs/dbraw/zinc/27/27/12/226272712.db2.gz GOSNNLFERWWODT-HSWBROFVSA-N 1 2 248.326 1.442 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000678046471 487652681 /nfs/dbraw/zinc/65/26/81/487652681.db2.gz XEAOZEGHTPUNDG-MNOVXSKESA-N 1 2 225.288 1.281 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000678046471 487652684 /nfs/dbraw/zinc/65/26/84/487652684.db2.gz XEAOZEGHTPUNDG-MNOVXSKESA-N 1 2 225.288 1.281 20 0 BDADLO COCc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000351395126 487658288 /nfs/dbraw/zinc/65/82/88/487658288.db2.gz CEIJJORMDSRUJB-UHFFFAOYSA-N 1 2 248.286 1.340 20 0 BDADLO Cc1ccc(NCCCn2cc[nH+]c2)nn1 ZINC000041045068 487660710 /nfs/dbraw/zinc/66/07/10/487660710.db2.gz BPEKDQRXGRZEDT-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO Cc1cc(C)c(CNC(=O)NC/C=C\CO)c[nH+]1 ZINC000665065645 487661410 /nfs/dbraw/zinc/66/14/10/487661410.db2.gz HHXWBZKUOMLMQO-ARJAWSKDSA-N 1 2 249.314 1.046 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CC(C)C1 ZINC000557434367 322937370 /nfs/dbraw/zinc/93/73/70/322937370.db2.gz MWZNDQXTJKDHET-QMMMGPOBSA-N 1 2 225.317 1.422 20 0 BDADLO OCCCc1cn(-c2ncc(Cl)s2)c[nH+]1 ZINC000680893767 487666701 /nfs/dbraw/zinc/66/67/01/487666701.db2.gz UNKVUNTZQXUART-UHFFFAOYSA-N 1 2 243.719 1.907 20 0 BDADLO CCC[C@@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000669693620 487683021 /nfs/dbraw/zinc/68/30/21/487683021.db2.gz BFFHKZXRJSBFJP-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000669693620 487683025 /nfs/dbraw/zinc/68/30/25/487683025.db2.gz BFFHKZXRJSBFJP-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665875402 487689697 /nfs/dbraw/zinc/68/96/97/487689697.db2.gz FWIAJUIWWZMHRZ-GMTAPVOTSA-N 1 2 235.331 1.828 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cncnc1 ZINC000681005192 487693919 /nfs/dbraw/zinc/69/39/19/487693919.db2.gz YVDKOWFMUNGJSU-UHFFFAOYSA-N 1 2 231.259 1.092 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@H]2C(F)(F)F)c1 ZINC000660149556 487696980 /nfs/dbraw/zinc/69/69/80/487696980.db2.gz QURJZMXCVSZNGC-VIFPVBQESA-N 1 2 249.236 1.183 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC1(C)C ZINC000527247843 262836711 /nfs/dbraw/zinc/83/67/11/262836711.db2.gz IDWRDEMVDGYGTQ-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO C[C@H]1CC[N@H+](CC2(F)CC2)CC[S@@]1=O ZINC000527528221 262854825 /nfs/dbraw/zinc/85/48/25/262854825.db2.gz IPEJTVLSNXRBBX-XPTSAGLGSA-N 1 2 219.325 1.331 20 0 BDADLO C[C@H]1CC[N@@H+](CC2(F)CC2)CC[S@@]1=O ZINC000527528221 262854826 /nfs/dbraw/zinc/85/48/26/262854826.db2.gz IPEJTVLSNXRBBX-XPTSAGLGSA-N 1 2 219.325 1.331 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H](CO)C1 ZINC000528032505 262904021 /nfs/dbraw/zinc/90/40/21/262904021.db2.gz ZGORLOQIIPCVBG-ZJUUUORDSA-N 1 2 222.288 1.663 20 0 BDADLO Cc1cc(NCC23CC(C2)CO3)nc(C2CC2)[nH+]1 ZINC000528184635 262908583 /nfs/dbraw/zinc/90/85/83/262908583.db2.gz NZXKGQUWHSWORR-UHFFFAOYSA-N 1 2 245.326 1.675 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000528404111 262909921 /nfs/dbraw/zinc/90/99/21/262909921.db2.gz MDPDEZWSPDTDNF-PGNDRMTNSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000528404111 262909923 /nfs/dbraw/zinc/90/99/23/262909923.db2.gz MDPDEZWSPDTDNF-PGNDRMTNSA-N 1 2 219.712 1.211 20 0 BDADLO Cc1noc([C@H](C)[NH+]2CCC(C)(O)CC2)n1 ZINC000675314054 487700901 /nfs/dbraw/zinc/70/09/01/487700901.db2.gz IAONYUAJFBNUIW-QMMMGPOBSA-N 1 2 225.292 1.286 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCCO ZINC000671715233 487704793 /nfs/dbraw/zinc/70/47/93/487704793.db2.gz SZSLXZQJFVALJW-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCCO ZINC000671715233 487704799 /nfs/dbraw/zinc/70/47/99/487704799.db2.gz SZSLXZQJFVALJW-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO O=C([C@@H]1CC12CCC2)N1CC(n2cc[nH+]c2)C1 ZINC000675336736 487713288 /nfs/dbraw/zinc/71/32/88/487713288.db2.gz VYFPRDBFBKPWIF-NSHDSACASA-N 1 2 231.299 1.457 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1ccon1 ZINC000668419456 487720404 /nfs/dbraw/zinc/72/04/04/487720404.db2.gz CWGPNTHBKPHDIZ-UHFFFAOYSA-N 1 2 231.255 1.371 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H](C2CCC2)C1 ZINC000665678811 487723562 /nfs/dbraw/zinc/72/35/62/487723562.db2.gz BDVIXLAQUQJDKU-ZDUSSCGKSA-N 1 2 247.342 1.922 20 0 BDADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C\Cl ZINC000733614462 584951365 /nfs/dbraw/zinc/95/13/65/584951365.db2.gz PCBGSXZITLGUMZ-JJKLJZTJSA-N 1 2 239.768 1.492 20 0 BDADLO Cc1cc(CNc2nc[nH+]c3c2OCCN3)no1 ZINC000665694513 487733688 /nfs/dbraw/zinc/73/36/88/487733688.db2.gz WCJZZLPVRRWGQO-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BDADLO Cc1cc(CNc2[nH+]cnc3c2OCCN3)no1 ZINC000665694513 487733694 /nfs/dbraw/zinc/73/36/94/487733694.db2.gz WCJZZLPVRRWGQO-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BDADLO C1=CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000665710595 487737878 /nfs/dbraw/zinc/73/78/78/487737878.db2.gz PIXYTCPPAVSZSB-UHFFFAOYSA-N 1 2 216.288 1.817 20 0 BDADLO C1=CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000665710595 487737883 /nfs/dbraw/zinc/73/78/83/487737883.db2.gz PIXYTCPPAVSZSB-UHFFFAOYSA-N 1 2 216.288 1.817 20 0 BDADLO OCC1(CNc2cc(NC3CC3)nc[nH+]2)CCC1 ZINC000665711235 487737603 /nfs/dbraw/zinc/73/76/03/487737603.db2.gz FGKHOPHSAIBMAQ-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO OCC1(CNc2cc(NC3CC3)[nH+]cn2)CCC1 ZINC000665711235 487737608 /nfs/dbraw/zinc/73/76/08/487737608.db2.gz FGKHOPHSAIBMAQ-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1cccnc1 ZINC000088588999 487738785 /nfs/dbraw/zinc/73/87/85/487738785.db2.gz WOZPSUZAJHVZQH-UHFFFAOYSA-N 1 2 231.303 1.544 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2cc(CC)[nH+]cn2)C1 ZINC000675550062 487746943 /nfs/dbraw/zinc/74/69/43/487746943.db2.gz IANZMBXFSPPOEC-NSHDSACASA-N 1 2 248.330 1.462 20 0 BDADLO C[C@H]1CCCCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000649450899 487748692 /nfs/dbraw/zinc/74/86/92/487748692.db2.gz CUKGOVDGIPSLGP-GXSJLCMTSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@H]1CCCCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000649450899 487748695 /nfs/dbraw/zinc/74/86/95/487748695.db2.gz CUKGOVDGIPSLGP-GXSJLCMTSA-N 1 2 208.309 1.863 20 0 BDADLO Cn1cnn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000738091464 585040778 /nfs/dbraw/zinc/04/07/78/585040778.db2.gz ZFJTWFNGTGKLBS-UHFFFAOYSA-N 1 2 228.365 1.886 20 0 BDADLO Cn1cnn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000738091464 585040779 /nfs/dbraw/zinc/04/07/79/585040779.db2.gz ZFJTWFNGTGKLBS-UHFFFAOYSA-N 1 2 228.365 1.886 20 0 BDADLO CC(C)c1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000146084135 487757799 /nfs/dbraw/zinc/75/77/99/487757799.db2.gz WOMVWOHZOWMIJP-UHFFFAOYSA-N 1 2 232.327 1.742 20 0 BDADLO CC(C)c1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000146084135 487757801 /nfs/dbraw/zinc/75/78/01/487757801.db2.gz WOMVWOHZOWMIJP-UHFFFAOYSA-N 1 2 232.327 1.742 20 0 BDADLO CN(Cc1c[nH+]c2n1CCC2)Cc1cccnc1 ZINC000667948059 487778030 /nfs/dbraw/zinc/77/80/30/487778030.db2.gz MGWNHWTWQYSEKZ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cc1ccc(CCNc2ncncc2Cl)[nH+]c1 ZINC000413348884 487778979 /nfs/dbraw/zinc/77/89/79/487778979.db2.gz PRUWLMVOBZKFHY-UHFFFAOYSA-N 1 2 248.717 1.910 20 0 BDADLO COCCCCO[NH+]=C(N)COC(C)(C)C ZINC000768935014 585546338 /nfs/dbraw/zinc/54/63/38/585546338.db2.gz QTBMMADTRGLRGN-UHFFFAOYSA-N 1 2 232.324 1.727 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CC2(CC2)C1 ZINC000666352930 487792291 /nfs/dbraw/zinc/79/22/91/487792291.db2.gz IZLCSCWEGADJCS-UHFFFAOYSA-N 1 2 219.288 1.190 20 0 BDADLO CCc1ncc(C[NH+]2CC3(CC(F)C3)C2)cn1 ZINC000666391170 487795373 /nfs/dbraw/zinc/79/53/73/487795373.db2.gz JOSHILLOPOBZTQ-UHFFFAOYSA-N 1 2 235.306 1.973 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)Cc1cn[nH]c1 ZINC000681025278 487801026 /nfs/dbraw/zinc/80/10/26/487801026.db2.gz NJEYQNNWSRJFRR-VIFPVBQESA-N 1 2 217.276 1.393 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1cn[nH]c1 ZINC000681025278 487801030 /nfs/dbraw/zinc/80/10/30/487801030.db2.gz NJEYQNNWSRJFRR-VIFPVBQESA-N 1 2 217.276 1.393 20 0 BDADLO CCOC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000569011236 322942779 /nfs/dbraw/zinc/94/27/79/322942779.db2.gz WWPWVVWPQRLKDX-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO Cn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000041228801 487812604 /nfs/dbraw/zinc/81/26/04/487812604.db2.gz AADJWPKNPCVQAW-UHFFFAOYSA-N 1 2 216.240 1.858 20 0 BDADLO Cc1cc(NC(=O)NC2([C@@H](C)O)CC2)c(C)c[nH+]1 ZINC000666495978 487821649 /nfs/dbraw/zinc/82/16/49/487821649.db2.gz HGLMRRFFRDDIBI-SNVBAGLBSA-N 1 2 249.314 1.155 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000676241317 487827433 /nfs/dbraw/zinc/82/74/33/487827433.db2.gz QXGDNTZCFRRPAK-RYUDHWBXSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000676241317 487827441 /nfs/dbraw/zinc/82/74/41/487827441.db2.gz QXGDNTZCFRRPAK-RYUDHWBXSA-N 1 2 234.274 1.461 20 0 BDADLO CC(C)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492965387 527573093 /nfs/dbraw/zinc/57/30/93/527573093.db2.gz VZNZPNUCPLHDQN-AATRIKPKSA-N 1 2 221.304 1.974 20 0 BDADLO C[NH+](C)Cc1nc(CC2CCCC2)no1 ZINC000340899544 487830559 /nfs/dbraw/zinc/83/05/59/487830559.db2.gz YHLISDPCTXTDMD-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO COc1ccc(OC)c(C[NH+]2CC(C)(O)C2)c1 ZINC000089647769 487842300 /nfs/dbraw/zinc/84/23/00/487842300.db2.gz HPFJWUWVLUQNHC-UHFFFAOYSA-N 1 2 237.299 1.270 20 0 BDADLO O=C(CCCc1cccnc1)NCc1c[nH+]c[nH]1 ZINC000668995051 487843179 /nfs/dbraw/zinc/84/31/79/487843179.db2.gz FRMQOLHJIOKCPM-UHFFFAOYSA-N 1 2 244.298 1.444 20 0 BDADLO O=C(CCCc1cccnc1)NCc1c[nH]c[nH+]1 ZINC000668995051 487843181 /nfs/dbraw/zinc/84/31/81/487843181.db2.gz FRMQOLHJIOKCPM-UHFFFAOYSA-N 1 2 244.298 1.444 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@](O)(CC)C2)s1 ZINC000681710066 487846412 /nfs/dbraw/zinc/84/64/12/487846412.db2.gz SFGHJQIHSCOVMT-LLVKDONJSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@](O)(CC)C2)s1 ZINC000681710066 487846415 /nfs/dbraw/zinc/84/64/15/487846415.db2.gz SFGHJQIHSCOVMT-LLVKDONJSA-N 1 2 241.360 1.447 20 0 BDADLO C[C@H]1C[N@H+](CCCOC(F)(F)F)CCO1 ZINC000877895261 590441383 /nfs/dbraw/zinc/44/13/83/590441383.db2.gz CKCOLVHPJXSCOF-QMMMGPOBSA-N 1 2 227.226 1.634 20 0 BDADLO C[C@H]1C[N@@H+](CCCOC(F)(F)F)CCO1 ZINC000877895261 590441385 /nfs/dbraw/zinc/44/13/85/590441385.db2.gz CKCOLVHPJXSCOF-QMMMGPOBSA-N 1 2 227.226 1.634 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CCCF)no1 ZINC000887141104 592455188 /nfs/dbraw/zinc/45/51/88/592455188.db2.gz GHKSGXGGRXCXQP-ZETCQYMHSA-N 1 2 201.245 1.730 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CCCF)no1 ZINC000887141104 592455191 /nfs/dbraw/zinc/45/51/91/592455191.db2.gz GHKSGXGGRXCXQP-ZETCQYMHSA-N 1 2 201.245 1.730 20 0 BDADLO CC1(NC(=O)CCCn2cc[nH+]c2)CC=CC1 ZINC000654008015 487849072 /nfs/dbraw/zinc/84/90/72/487849072.db2.gz SELJQEGHJYAVCT-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC12CCC2 ZINC000681746293 487850939 /nfs/dbraw/zinc/85/09/39/487850939.db2.gz OVTHEGUCLIPWGW-MNOVXSKESA-N 1 2 245.326 1.504 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCCO1 ZINC000676430597 487851515 /nfs/dbraw/zinc/85/15/15/487851515.db2.gz KNCSTPKTRPPRIP-NSHDSACASA-N 1 2 245.282 1.842 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1cccnn1 ZINC000558584764 322952330 /nfs/dbraw/zinc/95/23/30/322952330.db2.gz HILUEWDBWLZVIU-UHFFFAOYSA-N 1 2 217.276 1.200 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668498260 487855474 /nfs/dbraw/zinc/85/54/74/487855474.db2.gz PEVSOEAPBVXHAQ-VGMNWLOBSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668498260 487855476 /nfs/dbraw/zinc/85/54/76/487855476.db2.gz PEVSOEAPBVXHAQ-VGMNWLOBSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681800303 487864680 /nfs/dbraw/zinc/86/46/80/487864680.db2.gz CXQUZOFSVBHWIW-ZJUUUORDSA-N 1 2 234.303 1.002 20 0 BDADLO C[C@H](C[N@@H+]1CCCS(=O)(=O)CC1)C(C)(C)C ZINC000670264285 487864722 /nfs/dbraw/zinc/86/47/22/487864722.db2.gz KWHUIIPYWLIYII-LLVKDONJSA-N 1 2 247.404 1.789 20 0 BDADLO C[C@H](C[N@H+]1CCCS(=O)(=O)CC1)C(C)(C)C ZINC000670264285 487864729 /nfs/dbraw/zinc/86/47/29/487864729.db2.gz KWHUIIPYWLIYII-LLVKDONJSA-N 1 2 247.404 1.789 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(F)F ZINC000373342006 487866092 /nfs/dbraw/zinc/86/60/92/487866092.db2.gz UGTQXYJYEZDCDR-UHFFFAOYSA-N 1 2 243.257 1.443 20 0 BDADLO COCc1nnc(C[NH2+]C[C@@H](C)CC(C)C)[nH]1 ZINC000668510058 487867124 /nfs/dbraw/zinc/86/71/24/487867124.db2.gz NQWRKAOAHNEQRD-JTQLQIEISA-N 1 2 240.351 1.723 20 0 BDADLO CC(=O)N(C[C@H]1CCC[N@@H+]1CC(F)F)C1CC1 ZINC000681932623 487869924 /nfs/dbraw/zinc/86/99/24/487869924.db2.gz WYAHMRQNLKGGOA-LLVKDONJSA-N 1 2 246.301 1.727 20 0 BDADLO CC(=O)N(C[C@H]1CCC[N@H+]1CC(F)F)C1CC1 ZINC000681932623 487869930 /nfs/dbraw/zinc/86/99/30/487869930.db2.gz WYAHMRQNLKGGOA-LLVKDONJSA-N 1 2 246.301 1.727 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1CC12CC2 ZINC000569354005 322963160 /nfs/dbraw/zinc/96/31/60/322963160.db2.gz VWKWQANDZJDDAD-NXEZZACHSA-N 1 2 248.330 1.816 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)OCC2CC2)c(C)c[nH+]1 ZINC000676588116 487877995 /nfs/dbraw/zinc/87/79/95/487877995.db2.gz OXDWWQFLBUSMPB-LLVKDONJSA-N 1 2 248.326 1.874 20 0 BDADLO O[C@H]1C[N@H+](CCCCCF)CC(F)(F)C1 ZINC000671243729 487879818 /nfs/dbraw/zinc/87/98/18/487879818.db2.gz QCXAXWPJSOHRSF-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO O[C@H]1C[N@@H+](CCCCCF)CC(F)(F)C1 ZINC000671243729 487879821 /nfs/dbraw/zinc/87/98/21/487879821.db2.gz QCXAXWPJSOHRSF-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC000306271541 643312612 /nfs/dbraw/zinc/31/26/12/643312612.db2.gz WAHANUBFZUNYIZ-VAPSCNPUSA-N 1 2 222.115 1.620 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC000306271541 643312618 /nfs/dbraw/zinc/31/26/18/643312618.db2.gz WAHANUBFZUNYIZ-VAPSCNPUSA-N 1 2 222.115 1.620 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cn1cc[nH+]c1 ZINC000669018410 487881380 /nfs/dbraw/zinc/88/13/80/487881380.db2.gz LOVWBISLFAXKDA-WUHRBBMRSA-N 1 2 247.342 1.682 20 0 BDADLO C[C@H](CNC(=O)CCCF)Cn1cc[nH+]c1 ZINC000669019337 487882049 /nfs/dbraw/zinc/88/20/49/487882049.db2.gz TXTGSQVRDBCUFT-SNVBAGLBSA-N 1 2 227.283 1.385 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC1CCOCC1 ZINC000682033298 487885123 /nfs/dbraw/zinc/88/51/23/487885123.db2.gz OYCBEXNSRUINJB-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC1CCOCC1 ZINC000682033298 487885128 /nfs/dbraw/zinc/88/51/28/487885128.db2.gz OYCBEXNSRUINJB-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC[C@H]1CCCCO1 ZINC000682032354 487885164 /nfs/dbraw/zinc/88/51/64/487885164.db2.gz BYTXLNLYLAHBGS-GHMZBOCLSA-N 1 2 249.301 1.648 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC[C@H]1CCCCO1 ZINC000682032354 487885168 /nfs/dbraw/zinc/88/51/68/487885168.db2.gz BYTXLNLYLAHBGS-GHMZBOCLSA-N 1 2 249.301 1.648 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000670273642 487897797 /nfs/dbraw/zinc/89/77/97/487897797.db2.gz NMJYGUOHJJMHIV-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000670273642 487897801 /nfs/dbraw/zinc/89/78/01/487897801.db2.gz NMJYGUOHJJMHIV-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000670273642 487897806 /nfs/dbraw/zinc/89/78/06/487897806.db2.gz NMJYGUOHJJMHIV-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000670273642 487897812 /nfs/dbraw/zinc/89/78/12/487897812.db2.gz NMJYGUOHJJMHIV-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO Cc1ccncc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000668535101 487897975 /nfs/dbraw/zinc/89/79/75/487897975.db2.gz BRTYVFAQQHKTIF-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000671248964 487902315 /nfs/dbraw/zinc/90/23/15/487902315.db2.gz ZPXDEXHMXXCVHV-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(F)F ZINC000671248964 487902322 /nfs/dbraw/zinc/90/23/22/487902322.db2.gz ZPXDEXHMXXCVHV-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nccs1 ZINC000676716270 487904171 /nfs/dbraw/zinc/90/41/71/487904171.db2.gz ZRCYQDODJJJHOM-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nccs1 ZINC000676716270 487904175 /nfs/dbraw/zinc/90/41/75/487904175.db2.gz ZRCYQDODJJJHOM-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO OCC1(O)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000668550542 487920863 /nfs/dbraw/zinc/92/08/63/487920863.db2.gz BQANMHUNMJXWKV-UHFFFAOYSA-N 1 2 245.706 1.252 20 0 BDADLO CC[C@@H]1CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652331715 487922330 /nfs/dbraw/zinc/92/23/30/487922330.db2.gz QQZORHUXODIYSJ-GFCCVEGCSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1cc(CO)cc[nH+]1 ZINC000380638079 487927368 /nfs/dbraw/zinc/92/73/68/487927368.db2.gz NNHLJQJPXZEEDR-VHSXEESVSA-N 1 2 206.289 1.809 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000676793353 487931246 /nfs/dbraw/zinc/93/12/46/487931246.db2.gz YMOBTECEJYKFEI-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000676793353 487931251 /nfs/dbraw/zinc/93/12/51/487931251.db2.gz YMOBTECEJYKFEI-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H](O)C2CC2)s1 ZINC000669930799 487932693 /nfs/dbraw/zinc/93/26/93/487932693.db2.gz KVFJJQZLENFUDO-OIBJUYFYSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H](O)C2CC2)s1 ZINC000669930799 487932696 /nfs/dbraw/zinc/93/26/96/487932696.db2.gz KVFJJQZLENFUDO-OIBJUYFYSA-N 1 2 241.360 1.610 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2nccs2)C1 ZINC000654521571 487934521 /nfs/dbraw/zinc/93/45/21/487934521.db2.gz VOKQZTZRBXQRNR-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO Cn1cc(CNc2cc[nH+]c(C3CC3)n2)nn1 ZINC000679931138 487943285 /nfs/dbraw/zinc/94/32/85/487943285.db2.gz HOMOZFFSJQINFA-UHFFFAOYSA-N 1 2 230.275 1.095 20 0 BDADLO COc1ncncc1C[N@H+](C)CC1=CCCOC1 ZINC000668569250 487950295 /nfs/dbraw/zinc/95/02/95/487950295.db2.gz UVSAVWKHNHLSLQ-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO COc1ncncc1C[N@@H+](C)CC1=CCCOC1 ZINC000668569250 487950301 /nfs/dbraw/zinc/95/03/01/487950301.db2.gz UVSAVWKHNHLSLQ-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO C[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857719 533705598 /nfs/dbraw/zinc/70/55/98/533705598.db2.gz DYOIRRTUQIWOTH-XNPJLODASA-N 1 2 205.261 1.434 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCO[C@@H](C)C1 ZINC000569504677 322968445 /nfs/dbraw/zinc/96/84/45/322968445.db2.gz XEYSINSFRMJGLL-CMPLNLGQSA-N 1 2 235.331 1.742 20 0 BDADLO CC(C)CSCCNC(=O)Cn1cc[nH+]c1 ZINC000559357161 322968535 /nfs/dbraw/zinc/96/85/35/322968535.db2.gz LEFZCSYPEORFOC-UHFFFAOYSA-N 1 2 241.360 1.389 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC2(C1)CCOC2 ZINC000569590344 322971496 /nfs/dbraw/zinc/97/14/96/322971496.db2.gz KDKYCGDQVVDCIY-UHFFFAOYSA-N 1 2 219.288 1.320 20 0 BDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCF ZINC000238457829 323000081 /nfs/dbraw/zinc/00/00/81/323000081.db2.gz VIAVHPRHLBKBPC-JTQLQIEISA-N 1 2 246.326 1.897 20 0 BDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCF ZINC000238457829 323000082 /nfs/dbraw/zinc/00/00/82/323000082.db2.gz VIAVHPRHLBKBPC-JTQLQIEISA-N 1 2 246.326 1.897 20 0 BDADLO Cn1cc[nH+]c1[C@@H](Nc1ncc(F)cn1)C1CC1 ZINC000561356590 323000298 /nfs/dbraw/zinc/00/02/98/323000298.db2.gz SKWSHSIJUXUEAP-JTQLQIEISA-N 1 2 247.277 1.912 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000566484999 323001585 /nfs/dbraw/zinc/00/15/85/323001585.db2.gz WIGDLOKZMNVTKX-OLZOCXBDSA-N 1 2 247.342 1.956 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC12CCC2 ZINC000562275954 323014509 /nfs/dbraw/zinc/01/45/09/323014509.db2.gz CFJGEYSVXZTCRJ-UHFFFAOYSA-N 1 2 205.261 1.038 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC2CCC1CC2 ZINC000562278272 323014566 /nfs/dbraw/zinc/01/45/66/323014566.db2.gz WUAYVSJMBROHSB-GCZXYKMCSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)o1 ZINC000562443004 323019991 /nfs/dbraw/zinc/01/99/91/323019991.db2.gz FAIYOSXNKBDKFD-SNVBAGLBSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)o1 ZINC000562443004 323019992 /nfs/dbraw/zinc/01/99/92/323019992.db2.gz FAIYOSXNKBDKFD-SNVBAGLBSA-N 1 2 237.303 1.036 20 0 BDADLO c1nc(N2CCCOCC2)cc(NC2CC2)[nH+]1 ZINC000562721630 323029115 /nfs/dbraw/zinc/02/91/15/323029115.db2.gz KFAGVEHRZAAMJD-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO c1nc(NC2CC2)cc(N2CCCOCC2)[nH+]1 ZINC000562721630 323029116 /nfs/dbraw/zinc/02/91/16/323029116.db2.gz KFAGVEHRZAAMJD-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000569690714 323037060 /nfs/dbraw/zinc/03/70/60/323037060.db2.gz KCXMJKQLOKXLKE-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000569690714 323037061 /nfs/dbraw/zinc/03/70/61/323037061.db2.gz KCXMJKQLOKXLKE-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569937366 323044913 /nfs/dbraw/zinc/04/49/13/323044913.db2.gz QNDJYDUKKRHCKY-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1[nH]c(CNC2(C(F)F)CC2)[nH+]c1C ZINC000569989367 323046712 /nfs/dbraw/zinc/04/67/12/323046712.db2.gz XISAGOHWSUNAJY-UHFFFAOYSA-N 1 2 215.247 1.914 20 0 BDADLO CCO[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570218870 323053020 /nfs/dbraw/zinc/05/30/20/323053020.db2.gz CQVRCOOIYQWYGD-QMMMGPOBSA-N 1 2 225.292 1.186 20 0 BDADLO Cc1[nH]c(CNc2cnn(C)c2)[nH+]c1C ZINC000570344988 323057040 /nfs/dbraw/zinc/05/70/40/323057040.db2.gz CBXVMNGMPFTZRH-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO C[C@@H](O)[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000570421437 323059103 /nfs/dbraw/zinc/05/91/03/323059103.db2.gz XEAKNBRRBJIRIJ-SKDRFNHKSA-N 1 2 247.298 1.149 20 0 BDADLO CCc1cnc(C[NH2+][C@H](C(=O)NC)C(C)C)o1 ZINC000570458690 323060338 /nfs/dbraw/zinc/06/03/38/323060338.db2.gz QIQCWQIWSBNRBR-NSHDSACASA-N 1 2 239.319 1.097 20 0 BDADLO C[N@H+](Cc1cnccn1)Cc1ncccc1O ZINC000570485358 323060857 /nfs/dbraw/zinc/06/08/57/323060857.db2.gz YJBGIFFXFZQINR-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1cnccn1)Cc1ncccc1O ZINC000570485358 323060858 /nfs/dbraw/zinc/06/08/58/323060858.db2.gz YJBGIFFXFZQINR-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO Cc1nc(N2C[C@H](C)OC3(CCC3)C2)cc[nH+]1 ZINC000570628626 323064923 /nfs/dbraw/zinc/06/49/23/323064923.db2.gz ZQQOREHAQUGONW-JTQLQIEISA-N 1 2 233.315 1.933 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)c1ccon1)n1cc[nH+]c1 ZINC000570847888 323072429 /nfs/dbraw/zinc/07/24/29/323072429.db2.gz HYLWILDQGANVDP-UWVGGRQHSA-N 1 2 248.286 1.700 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000563017790 323080001 /nfs/dbraw/zinc/08/00/01/323080001.db2.gz JSFDJWDPNCVRNG-VHSXEESVSA-N 1 2 207.277 1.044 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567995689 323106917 /nfs/dbraw/zinc/10/69/17/323106917.db2.gz SELHGGVHCUCADZ-MNOVXSKESA-N 1 2 239.319 1.328 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)C2CCC2)[nH+]1 ZINC000563285777 323108357 /nfs/dbraw/zinc/10/83/57/323108357.db2.gz WNXXOBSROGTEJG-UHFFFAOYSA-N 1 2 221.304 1.870 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)oc1C ZINC000531750957 323112475 /nfs/dbraw/zinc/11/24/75/323112475.db2.gz UPIFQDGTZAYERE-JTQLQIEISA-N 1 2 247.298 1.911 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)C ZINC000401728006 323118873 /nfs/dbraw/zinc/11/88/73/323118873.db2.gz RYKLPKOPPWGTKZ-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000563560273 323130302 /nfs/dbraw/zinc/13/03/02/323130302.db2.gz HWASEEQTDZCKPD-VIFPVBQESA-N 1 2 221.304 1.220 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000571094471 323135117 /nfs/dbraw/zinc/13/51/17/323135117.db2.gz PAYGXOHTGQGRHN-VIFPVBQESA-N 1 2 249.286 1.048 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000571094471 323135118 /nfs/dbraw/zinc/13/51/18/323135118.db2.gz PAYGXOHTGQGRHN-VIFPVBQESA-N 1 2 249.286 1.048 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C1CC1 ZINC000571193952 323137896 /nfs/dbraw/zinc/13/78/96/323137896.db2.gz WEPLFHQWUPULBN-VHSXEESVSA-N 1 2 219.288 1.257 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)[C@H]2CCC[C@H]21 ZINC000571236839 323139114 /nfs/dbraw/zinc/13/91/14/323139114.db2.gz AZKMNXYBVCLXSP-NEPJUHHUSA-N 1 2 247.342 1.920 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000571407367 323143890 /nfs/dbraw/zinc/14/38/90/323143890.db2.gz DLZSBBKAPPFTQN-VIFPVBQESA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnsc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000571407367 323143891 /nfs/dbraw/zinc/14/38/91/323143891.db2.gz DLZSBBKAPPFTQN-VIFPVBQESA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[NH+]2CCC(OC(C)C)CC2)o1 ZINC000571418928 323144420 /nfs/dbraw/zinc/14/44/20/323144420.db2.gz IYXVWGZQQKYUBB-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H](NC(=O)Cc1ccon1)c1[nH]cc[nH+]1 ZINC000546014808 323146654 /nfs/dbraw/zinc/14/66/54/323146654.db2.gz AJZSZPVNSSONPG-SECBINFHSA-N 1 2 234.259 1.208 20 0 BDADLO CC(C)[C@H](NC(=O)[C@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000571525720 323146863 /nfs/dbraw/zinc/14/68/63/323146863.db2.gz FFVQFFKTDUTVQH-ONGXEEELSA-N 1 2 249.314 1.592 20 0 BDADLO Cc1cc(=O)[nH]c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000571581647 323148606 /nfs/dbraw/zinc/14/86/06/323148606.db2.gz PFTXAPWUMWAQBV-MRVPVSSYSA-N 1 2 246.270 1.310 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC[C@H]1CC=CCC1 ZINC000049371093 323159900 /nfs/dbraw/zinc/15/99/00/323159900.db2.gz IXHZWSRDGIGKMX-LBPRGKRZSA-N 1 2 248.330 1.539 20 0 BDADLO CC1(CNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000535006360 323162679 /nfs/dbraw/zinc/16/26/79/323162679.db2.gz NJCZSDYXXWNWEV-UHFFFAOYSA-N 1 2 228.299 1.676 20 0 BDADLO CC(C)(NC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000535033623 323163591 /nfs/dbraw/zinc/16/35/91/323163591.db2.gz UMTBJURYCKMZOA-UHFFFAOYSA-N 1 2 236.319 1.371 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C1CCOCC1 ZINC000535061918 323164945 /nfs/dbraw/zinc/16/49/45/323164945.db2.gz TYWYQJSZEJLNHW-UHFFFAOYSA-N 1 2 249.314 1.455 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1ccn(C)n1 ZINC000112342973 323169286 /nfs/dbraw/zinc/16/92/86/323169286.db2.gz YUJLTWRWYQGSIH-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cccc(O)c1 ZINC000532058962 323170804 /nfs/dbraw/zinc/17/08/04/323170804.db2.gz REJYNSISFJDJEV-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1nncn1C ZINC000535526778 323173600 /nfs/dbraw/zinc/17/36/00/323173600.db2.gz YRCBTYZNTWPMRP-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1nncn1C ZINC000535526778 323173601 /nfs/dbraw/zinc/17/36/01/323173601.db2.gz YRCBTYZNTWPMRP-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO CC[C@@H](CCO)Nc1nc(C)[nH+]cc1C ZINC000563732779 323176680 /nfs/dbraw/zinc/17/66/80/323176680.db2.gz MYJYANYIPSNBAR-JTQLQIEISA-N 1 2 209.293 1.666 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CO[C@@H](C)C2)c(C)c[nH+]1 ZINC000525878530 323182972 /nfs/dbraw/zinc/18/29/72/323182972.db2.gz XFMMVLHRNIJCCW-QWRGUYRKSA-N 1 2 234.299 1.484 20 0 BDADLO O=C(NCC1CC=CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000529710192 323186127 /nfs/dbraw/zinc/18/61/27/323186127.db2.gz JPGAOLSSYGKHGP-LBPRGKRZSA-N 1 2 245.326 1.528 20 0 BDADLO COC[C@H](C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000535721361 323189145 /nfs/dbraw/zinc/18/91/45/323189145.db2.gz OIZUIUHXMDYLPM-SECBINFHSA-N 1 2 246.314 1.159 20 0 BDADLO Cc1cc(NC(=O)Cc2cccnc2)c(C)c[nH+]1 ZINC000535747959 323190189 /nfs/dbraw/zinc/19/01/89/323190189.db2.gz ZTTQIESHCNPMBI-UHFFFAOYSA-N 1 2 241.294 1.697 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCOC2)c(C)c[nH+]1 ZINC000535748491 323190328 /nfs/dbraw/zinc/19/03/28/323190328.db2.gz IXTIAWSBFHIFKP-SNVBAGLBSA-N 1 2 220.272 1.095 20 0 BDADLO C[C@H](CC(=O)NCC12CC(C1)CO2)n1cc[nH+]c1 ZINC000529867881 323193024 /nfs/dbraw/zinc/19/30/24/323193024.db2.gz GWRIXXQTHHIPPS-XSRFYTQQSA-N 1 2 249.314 1.129 20 0 BDADLO C[N@H+](Cc1nnc2n1CCC2)CC1=CCCOC1 ZINC000536628130 323198871 /nfs/dbraw/zinc/19/88/71/323198871.db2.gz XUJPPICEVWGVDY-UHFFFAOYSA-N 1 2 248.330 1.003 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCC2)CC1=CCCOC1 ZINC000536628130 323198872 /nfs/dbraw/zinc/19/88/72/323198872.db2.gz XUJPPICEVWGVDY-UHFFFAOYSA-N 1 2 248.330 1.003 20 0 BDADLO Cc1ccn(C)c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000527373821 323201857 /nfs/dbraw/zinc/20/18/57/323201857.db2.gz QWKJWDMGEYOLIB-UHFFFAOYSA-N 1 2 244.298 1.227 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1=CCCC1 ZINC000532122879 323206238 /nfs/dbraw/zinc/20/62/38/323206238.db2.gz IEYLUWWQPRGRRQ-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2nncs2)c2[nH+]ccn21 ZINC000530189361 323206798 /nfs/dbraw/zinc/20/67/98/323206798.db2.gz PANIJWHSOYGLCF-RQJHMYQMSA-N 1 2 249.299 1.170 20 0 BDADLO CCCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000532128268 323207221 /nfs/dbraw/zinc/20/72/21/323207221.db2.gz LWJPWXFPQCEADL-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1nc(N)c2ccccc2[nH+]1 ZINC000530359572 323382649 /nfs/dbraw/zinc/38/26/49/323382649.db2.gz CWEINMAYFMRNGC-IUCAKERBSA-N 1 2 244.298 1.002 20 0 BDADLO Cc1ccc(F)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000135480486 323394204 /nfs/dbraw/zinc/39/42/04/323394204.db2.gz BJUSCBNWLFYPFQ-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO CN(C)C(=O)c1ccc(CNc2c[nH]c[nH+]2)[nH]1 ZINC000572465022 323643060 /nfs/dbraw/zinc/64/30/60/323643060.db2.gz CSAMGNIMIBZXCK-UHFFFAOYSA-N 1 2 233.275 1.052 20 0 BDADLO CCOC[C@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000527911400 323720100 /nfs/dbraw/zinc/72/01/00/323720100.db2.gz JOTGLJYFZKZFSZ-NSHDSACASA-N 1 2 236.315 1.953 20 0 BDADLO OCCOCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000122762031 324052583 /nfs/dbraw/zinc/05/25/83/324052583.db2.gz NPDRQHSSNLWWCS-UHFFFAOYSA-N 1 2 242.225 1.323 20 0 BDADLO O=C(CC1CCCC1)NCCc1[nH]cc[nH+]1 ZINC000123088249 324080946 /nfs/dbraw/zinc/08/09/46/324080946.db2.gz ZRKWJVRKLZPUMM-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO Cc1ccoc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000123088788 324081461 /nfs/dbraw/zinc/08/14/61/324081461.db2.gz RLMNHYVNALKSMC-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cccn1C ZINC000537615971 324092663 /nfs/dbraw/zinc/09/26/63/324092663.db2.gz GTKXPWNUBZMXSE-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO C[NH+](C)CC1(CN=c2[nH]ncs2)CCCC1 ZINC000450437444 324141696 /nfs/dbraw/zinc/14/16/96/324141696.db2.gz JUVGBWOCNMSUPZ-UHFFFAOYSA-N 1 2 240.376 1.494 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@@H]1CCOC1 ZINC000162967320 324175638 /nfs/dbraw/zinc/17/56/38/324175638.db2.gz BSVDEGRXDWNREC-VHSXEESVSA-N 1 2 222.288 1.927 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C(\C)Cl ZINC000528389881 324217949 /nfs/dbraw/zinc/21/79/49/324217949.db2.gz VBNDJHZNRIHFGD-SGDMMICCSA-N 1 2 216.712 1.339 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C(\C)Cl ZINC000528389881 324217953 /nfs/dbraw/zinc/21/79/53/324217953.db2.gz VBNDJHZNRIHFGD-SGDMMICCSA-N 1 2 216.712 1.339 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c(C)c[nH+]1 ZINC000548762796 324221419 /nfs/dbraw/zinc/22/14/19/324221419.db2.gz XCBUUWRPTKBCND-RLCGTCKNSA-N 1 2 248.326 1.872 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529569439 324346292 /nfs/dbraw/zinc/34/62/92/324346292.db2.gz BERZTIAJBFNXNR-MXWKQRLJSA-N 1 2 233.315 1.505 20 0 BDADLO COc1ccc[nH+]c1NCc1ccc(CO)o1 ZINC000538464252 324686873 /nfs/dbraw/zinc/68/68/73/324686873.db2.gz VFVRIULCNDXSHP-UHFFFAOYSA-N 1 2 234.255 1.788 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682450772 487966230 /nfs/dbraw/zinc/96/62/30/487966230.db2.gz KCTZZYQQGXZEHI-NEPJUHHUSA-N 1 2 249.358 1.948 20 0 BDADLO Cc1oncc1CN(C)Cc1[nH+]ccn1C ZINC000129497627 324954745 /nfs/dbraw/zinc/95/47/45/324954745.db2.gz NJEHANXGVIWVRX-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)CC[S@](C)=O ZINC000230102513 325003910 /nfs/dbraw/zinc/00/39/10/325003910.db2.gz MXIDIMROGHJSRB-FVMDXXJSSA-N 1 2 242.344 1.659 20 0 BDADLO CC(C)SCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650836 325019393 /nfs/dbraw/zinc/01/93/93/325019393.db2.gz UVBVNRSPXWDHQS-UHFFFAOYSA-N 1 2 227.333 1.510 20 0 BDADLO COC[C@H]([NH2+]Cc1noc(C2CC2)n1)C(C)C ZINC000542522888 325033148 /nfs/dbraw/zinc/03/31/48/325033148.db2.gz NTRIMPHKGSDUJS-JTQLQIEISA-N 1 2 239.319 1.708 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)OC)C1CCCCC1 ZINC000542614559 325037801 /nfs/dbraw/zinc/03/78/01/325037801.db2.gz SNWFQCXYWATQJM-CMPLNLGQSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000543092872 325069796 /nfs/dbraw/zinc/06/97/96/325069796.db2.gz PXYXFMSXWWGHQR-SNVBAGLBSA-N 1 2 238.356 1.453 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+]1CCN(C)C(=O)C1 ZINC000543092872 325069798 /nfs/dbraw/zinc/06/97/98/325069798.db2.gz PXYXFMSXWWGHQR-SNVBAGLBSA-N 1 2 238.356 1.453 20 0 BDADLO CCc1nc(C(=O)Nc2cc(C)[nH+]cc2C)co1 ZINC000543429690 325088225 /nfs/dbraw/zinc/08/82/25/325088225.db2.gz UKKYOUOQLRJHEP-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccccn1 ZINC000131384339 325144574 /nfs/dbraw/zinc/14/45/74/325144574.db2.gz ATXIOXDDGBVVRY-UHFFFAOYSA-N 1 2 229.239 1.738 20 0 BDADLO CC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000544516207 325146080 /nfs/dbraw/zinc/14/60/80/325146080.db2.gz ZGWVWWYVKBVQTE-VXGBXAGGSA-N 1 2 243.347 1.469 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCOC(C)C ZINC000131454671 325153378 /nfs/dbraw/zinc/15/33/78/325153378.db2.gz BSEVJSUYCJCNJP-UHFFFAOYSA-N 1 2 238.287 1.844 20 0 BDADLO Cc1[nH]c(C(=O)NC(C)(C)c2cnn(C)c2)c[nH+]1 ZINC000545291795 325208370 /nfs/dbraw/zinc/20/83/70/325208370.db2.gz SVCBVKBKYPPOKT-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccoc1 ZINC000546017011 325258485 /nfs/dbraw/zinc/25/84/85/325258485.db2.gz NLVXCRBSZMDZQB-SECBINFHSA-N 1 2 247.302 1.527 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccoc1 ZINC000546017012 325258508 /nfs/dbraw/zinc/25/85/08/325258508.db2.gz NLVXCRBSZMDZQB-VIFPVBQESA-N 1 2 247.302 1.527 20 0 BDADLO Cc1cnc(SCc2[nH+]ccn2C)nc1 ZINC000133136846 325271324 /nfs/dbraw/zinc/27/13/24/325271324.db2.gz HCJMFSRNQKFAFQ-UHFFFAOYSA-N 1 2 220.301 1.811 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc[nH]1 ZINC000075940000 325322604 /nfs/dbraw/zinc/32/26/04/325322604.db2.gz NAPMFZGWMZCKTM-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@]2(C)CCOC2)n1 ZINC000547257490 325334154 /nfs/dbraw/zinc/33/41/54/325334154.db2.gz JHHFZHLGSDLVOX-GFCCVEGCSA-N 1 2 248.286 1.072 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(F)cn1 ZINC000547539489 325370964 /nfs/dbraw/zinc/37/09/64/325370964.db2.gz HQZFRWLPZJITLS-UHFFFAOYSA-N 1 2 234.234 1.135 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCCC1CC1 ZINC000134830477 325378303 /nfs/dbraw/zinc/37/83/03/325378303.db2.gz XNJIPSPNNOMBEF-UHFFFAOYSA-N 1 2 231.303 1.965 20 0 BDADLO COc1c(N)[nH+]cnc1NCC(C)(C)C ZINC000134835547 325378494 /nfs/dbraw/zinc/37/84/94/325378494.db2.gz SZACJKWOQQCTEH-UHFFFAOYSA-N 1 2 210.281 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NCC(C)(C)C ZINC000134835547 325378496 /nfs/dbraw/zinc/37/84/96/325378496.db2.gz SZACJKWOQQCTEH-UHFFFAOYSA-N 1 2 210.281 1.525 20 0 BDADLO Cc1ccc(CCNc2nnc(C)c(C)n2)c[nH+]1 ZINC000547793552 325399534 /nfs/dbraw/zinc/39/95/34/325399534.db2.gz KZEUEBBBCVFUDV-UHFFFAOYSA-N 1 2 243.314 1.268 20 0 BDADLO COc1ncccc1NC(=O)Cc1c[nH+]cn1C ZINC000548191138 325440279 /nfs/dbraw/zinc/44/02/79/325440279.db2.gz AJHGSIQZSNOCQK-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO CC(C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548710539 325474757 /nfs/dbraw/zinc/47/47/57/325474757.db2.gz KJQGMKBYOUAUST-LBPRGKRZSA-N 1 2 249.358 1.857 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(c2cccnc2)CC1 ZINC000549770230 325515167 /nfs/dbraw/zinc/51/51/67/325515167.db2.gz SARNPZUPFRAPOP-UHFFFAOYSA-N 1 2 242.282 1.153 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1scnc1C1CC1 ZINC000551657133 325562958 /nfs/dbraw/zinc/56/29/58/325562958.db2.gz ZDSDEDQZXUCCPM-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2CC=CCC2)c[nH+]1 ZINC000552018985 325586798 /nfs/dbraw/zinc/58/67/98/325586798.db2.gz YBNIMOYNWDELNL-JTQLQIEISA-N 1 2 246.314 1.170 20 0 BDADLO COc1cccnc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553073418 325675931 /nfs/dbraw/zinc/67/59/31/325675931.db2.gz OBXLJHNXMUOGQD-UHFFFAOYSA-N 1 2 249.314 1.371 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(F)cn1)[NH+]1CC(C)C1 ZINC000553336983 325686726 /nfs/dbraw/zinc/68/67/26/325686726.db2.gz RKBXEGRSUYVWMQ-VIFPVBQESA-N 1 2 237.278 1.499 20 0 BDADLO O=C(/C=C/C1CCCC1)NC1=[NH+]CCS1 ZINC000253458489 325723191 /nfs/dbraw/zinc/72/31/91/325723191.db2.gz DRUVDZMSEZLSJA-AATRIKPKSA-N 1 2 224.329 1.952 20 0 BDADLO O[C@H]1CN(c2cccc[nH+]2)CC(F)(F)C1 ZINC000682477244 487970094 /nfs/dbraw/zinc/97/00/94/487970094.db2.gz OMKCWIBVCKWOIM-MRVPVSSYSA-N 1 2 214.215 1.288 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000672147277 487970787 /nfs/dbraw/zinc/97/07/87/487970787.db2.gz JNTFZZSQFBNBRD-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCSC1 ZINC000565213330 325876434 /nfs/dbraw/zinc/87/64/34/325876434.db2.gz MQUOAOVBANEYNQ-SECBINFHSA-N 1 2 239.344 1.272 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682486785 487970555 /nfs/dbraw/zinc/97/05/55/487970555.db2.gz QLOGOYJGLLOEGT-MRVPVSSYSA-N 1 2 232.243 1.072 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173449 326005944 /nfs/dbraw/zinc/00/59/44/326005944.db2.gz KWTUAOGEHUFLGA-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173449 326005948 /nfs/dbraw/zinc/00/59/48/326005948.db2.gz KWTUAOGEHUFLGA-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173449 326005951 /nfs/dbraw/zinc/00/59/51/326005951.db2.gz KWTUAOGEHUFLGA-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173449 326005956 /nfs/dbraw/zinc/00/59/56/326005956.db2.gz KWTUAOGEHUFLGA-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173449 326005960 /nfs/dbraw/zinc/00/59/60/326005960.db2.gz KWTUAOGEHUFLGA-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173449 326005962 /nfs/dbraw/zinc/00/59/62/326005962.db2.gz KWTUAOGEHUFLGA-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2C[C@@H]2C(C)C)c[nH+]1 ZINC000566280934 326028319 /nfs/dbraw/zinc/02/83/19/326028319.db2.gz WJLNZUNSWIWUBD-MNOVXSKESA-N 1 2 248.330 1.106 20 0 BDADLO C[C@@H](CC(=O)N(C)c1ncccn1)n1cc[nH+]c1 ZINC000566302811 326031123 /nfs/dbraw/zinc/03/11/23/326031123.db2.gz AFISLBULGDFMDK-JTQLQIEISA-N 1 2 245.286 1.287 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2ccoc2)[nH+]1 ZINC000566363807 326037319 /nfs/dbraw/zinc/03/73/19/326037319.db2.gz BOLSNXJUUSLNDD-UHFFFAOYSA-N 1 2 247.298 1.905 20 0 BDADLO CSCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000566430005 326045638 /nfs/dbraw/zinc/04/56/38/326045638.db2.gz FURJCFAODHKCJC-UHFFFAOYSA-N 1 2 236.340 1.804 20 0 BDADLO CSCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000566430005 326045639 /nfs/dbraw/zinc/04/56/39/326045639.db2.gz FURJCFAODHKCJC-UHFFFAOYSA-N 1 2 236.340 1.804 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@@H]1F ZINC000566483066 326056463 /nfs/dbraw/zinc/05/64/63/326056463.db2.gz RKROSFINJGLQDB-NKWVEPMBSA-N 1 2 226.255 1.370 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@@H]1F ZINC000566483066 326056465 /nfs/dbraw/zinc/05/64/65/326056465.db2.gz RKROSFINJGLQDB-NKWVEPMBSA-N 1 2 226.255 1.370 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000566524498 326061979 /nfs/dbraw/zinc/06/19/79/326061979.db2.gz ZLFLDXPPZFKKCE-IUCAKERBSA-N 1 2 246.314 1.036 20 0 BDADLO CCCN(C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000566805316 326084839 /nfs/dbraw/zinc/08/48/39/326084839.db2.gz PADBOCYGAPJYEW-UHFFFAOYSA-N 1 2 238.335 1.713 20 0 BDADLO CCOCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000566979780 326099718 /nfs/dbraw/zinc/09/97/18/326099718.db2.gz ZWEUIVXDASLYOE-UHFFFAOYSA-N 1 2 239.319 1.496 20 0 BDADLO Cc1cnc(C)nc1NCCCn1cc[nH+]c1 ZINC000567015533 326102021 /nfs/dbraw/zinc/10/20/21/326102021.db2.gz WBAHJWDDHYNSQP-UHFFFAOYSA-N 1 2 231.303 1.214 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)ncn1 ZINC000153830629 326115035 /nfs/dbraw/zinc/11/50/35/326115035.db2.gz DDAIIYMCNCFPCP-UHFFFAOYSA-N 1 2 230.227 1.138 20 0 BDADLO CSc1ccc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000567207220 326135579 /nfs/dbraw/zinc/13/55/79/326135579.db2.gz XZFDKCWINHWSLL-UHFFFAOYSA-N 1 2 248.311 1.639 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)C1CCC1 ZINC000567216292 326142148 /nfs/dbraw/zinc/14/21/48/326142148.db2.gz HKMGBWOBFWTDCU-GFCCVEGCSA-N 1 2 249.314 1.094 20 0 BDADLO CC(C)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000677117446 487971672 /nfs/dbraw/zinc/97/16/72/487971672.db2.gz DQKDHQXGHHTWRM-UHFFFAOYSA-N 1 2 235.331 1.778 20 0 BDADLO COCC(C)(C)CNc1nc[nH+]c(N)c1OC ZINC000310260907 326188616 /nfs/dbraw/zinc/18/86/16/326188616.db2.gz HPMNODALFZQMOD-UHFFFAOYSA-N 1 2 240.307 1.152 20 0 BDADLO COCC(C)(C)CNc1[nH+]cnc(N)c1OC ZINC000310260907 326188617 /nfs/dbraw/zinc/18/86/17/326188617.db2.gz HPMNODALFZQMOD-UHFFFAOYSA-N 1 2 240.307 1.152 20 0 BDADLO CCC[C@@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000155602259 326203081 /nfs/dbraw/zinc/20/30/81/326203081.db2.gz VQQSARMKFPYXBQ-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000155767976 326211100 /nfs/dbraw/zinc/21/11/00/326211100.db2.gz YNCOZRXCDBVDNC-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155767976 326211101 /nfs/dbraw/zinc/21/11/01/326211101.db2.gz YNCOZRXCDBVDNC-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682504598 487971803 /nfs/dbraw/zinc/97/18/03/487971803.db2.gz LAZSWINFUISOKF-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1nc(N)c(CNC(=O)CC2(C)CC2)c[nH+]1 ZINC000567954698 326287579 /nfs/dbraw/zinc/28/75/79/326287579.db2.gz KFXRKBIJVHAMGZ-UHFFFAOYSA-N 1 2 234.303 1.004 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](F)C1 ZINC000568016587 326296804 /nfs/dbraw/zinc/29/68/04/326296804.db2.gz IXGLWDGRBOEZPY-VIFPVBQESA-N 1 2 240.282 1.064 20 0 BDADLO C[C@@H](CC(=O)NCC1CC1)n1cc[nH+]c1 ZINC000568095742 326307323 /nfs/dbraw/zinc/30/73/23/326307323.db2.gz JICYYAYSPOAJKB-VIFPVBQESA-N 1 2 207.277 1.360 20 0 BDADLO C[C@@H]1[N@H+](Cc2ccc(C#N)cn2)CCOC1(C)C ZINC000568164930 326317599 /nfs/dbraw/zinc/31/75/99/326317599.db2.gz DDGJTXUGXPRSMX-NSHDSACASA-N 1 2 245.326 1.953 20 0 BDADLO C[C@@H]1[N@@H+](Cc2ccc(C#N)cn2)CCOC1(C)C ZINC000568164930 326317600 /nfs/dbraw/zinc/31/76/00/326317600.db2.gz DDGJTXUGXPRSMX-NSHDSACASA-N 1 2 245.326 1.953 20 0 BDADLO C[C@@H](C(=O)NCc1nccs1)[NH+]1CC(C)C1 ZINC000568193901 326324414 /nfs/dbraw/zinc/32/44/14/326324414.db2.gz YAEULNFLWGESCS-VIFPVBQESA-N 1 2 239.344 1.100 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N(C)CCO ZINC000568242638 326333346 /nfs/dbraw/zinc/33/33/46/326333346.db2.gz QDXBKRKVXLSXLN-UHFFFAOYSA-N 1 2 237.303 1.100 20 0 BDADLO C[C@H](C[C@H](C)O)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568519287 326359796 /nfs/dbraw/zinc/35/97/96/326359796.db2.gz DFZCDHRFHVNLFE-VWYCJHECSA-N 1 2 239.319 1.110 20 0 BDADLO CC(C)(NC(=O)c1cccc(=O)[nH]1)c1[nH]cc[nH+]1 ZINC000568521170 326362791 /nfs/dbraw/zinc/36/27/91/326362791.db2.gz FMSXQUMRXMECRG-UHFFFAOYSA-N 1 2 246.270 1.175 20 0 BDADLO Cc1csc(-c2noc(Cn3cc[nH+]c3)n2)n1 ZINC000568742555 326374406 /nfs/dbraw/zinc/37/44/06/326374406.db2.gz URMOQRQKHXBNIY-UHFFFAOYSA-N 1 2 247.283 1.746 20 0 BDADLO C[C@@H]1CC[C@@H]1[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000568874380 326380751 /nfs/dbraw/zinc/38/07/51/326380751.db2.gz OOUIBGIJZFUGNE-USWWRNFRSA-N 1 2 243.314 1.677 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)no1 ZINC000569018127 326386397 /nfs/dbraw/zinc/38/63/97/326386397.db2.gz VOFFRKGYYGRHJL-RKDXNWHRSA-N 1 2 239.319 1.442 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](CCO)C1 ZINC000569020045 326387311 /nfs/dbraw/zinc/38/73/11/326387311.db2.gz SSNSONPMEIINJG-NSHDSACASA-N 1 2 221.304 1.302 20 0 BDADLO CSc1ccnc(N(C)Cc2[nH+]ccn2C)n1 ZINC000569226173 326395890 /nfs/dbraw/zinc/39/58/90/326395890.db2.gz LDMQGSNSDQWNOR-UHFFFAOYSA-N 1 2 249.343 1.568 20 0 BDADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cscn1 ZINC000569276638 326398646 /nfs/dbraw/zinc/39/86/46/326398646.db2.gz SSHKBKMRJYZAQF-NSHDSACASA-N 1 2 244.360 1.361 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(C)C1 ZINC000655039079 487974447 /nfs/dbraw/zinc/97/44/47/487974447.db2.gz YZWDFKKWKOUNAT-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(C)C1 ZINC000655039079 487974453 /nfs/dbraw/zinc/97/44/53/487974453.db2.gz YZWDFKKWKOUNAT-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(F)C1 ZINC000655040043 487974613 /nfs/dbraw/zinc/97/46/13/487974613.db2.gz HWCJRFOLXXAXDC-MRVPVSSYSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(F)C1 ZINC000655040043 487974616 /nfs/dbraw/zinc/97/46/16/487974616.db2.gz HWCJRFOLXXAXDC-MRVPVSSYSA-N 1 2 225.267 1.159 20 0 BDADLO CC[C@H](C)N(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667256810 487975981 /nfs/dbraw/zinc/97/59/81/487975981.db2.gz UVMWMMMWNARGCY-VHSXEESVSA-N 1 2 238.335 1.921 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000682535420 487979692 /nfs/dbraw/zinc/97/96/92/487979692.db2.gz WAOJOSGUABPGEI-WZRBSPASSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000682535420 487979695 /nfs/dbraw/zinc/97/96/95/487979695.db2.gz WAOJOSGUABPGEI-WZRBSPASSA-N 1 2 236.315 1.224 20 0 BDADLO O[C@H]1C[N@@H+](C2CCCC2)CC(F)(F)C1 ZINC000682543953 487982140 /nfs/dbraw/zinc/98/21/40/487982140.db2.gz MFZWCSKBQIDRTA-SECBINFHSA-N 1 2 205.248 1.631 20 0 BDADLO O[C@H]1C[N@H+](C2CCCC2)CC(F)(F)C1 ZINC000682543953 487982143 /nfs/dbraw/zinc/98/21/43/487982143.db2.gz MFZWCSKBQIDRTA-SECBINFHSA-N 1 2 205.248 1.631 20 0 BDADLO COCC[C@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544361 487983521 /nfs/dbraw/zinc/98/35/21/487983521.db2.gz QGROXXDMOZNKJY-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544361 487983525 /nfs/dbraw/zinc/98/35/25/487983525.db2.gz QGROXXDMOZNKJY-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO Cc1nnc(N[C@H](C)c2[nH]cc[nH+]2)nc1C ZINC000158961660 487984114 /nfs/dbraw/zinc/98/41/14/487984114.db2.gz HXPQMNFQZVBUOI-MRVPVSSYSA-N 1 2 218.264 1.385 20 0 BDADLO C[C@H]1CCCCN1c1nc[nH+]c2c1OCCN2 ZINC000665688666 487988560 /nfs/dbraw/zinc/98/85/60/487988560.db2.gz PAUBZYAZOFVNGL-VIFPVBQESA-N 1 2 234.303 1.660 20 0 BDADLO C[C@H]1CCCCN1c1[nH+]cnc2c1OCCN2 ZINC000665688666 487988565 /nfs/dbraw/zinc/98/85/65/487988565.db2.gz PAUBZYAZOFVNGL-VIFPVBQESA-N 1 2 234.303 1.660 20 0 BDADLO CCc1noc(C[N@@H+]2CCCO[C@H](CC)C2)n1 ZINC000685007356 487990135 /nfs/dbraw/zinc/99/01/35/487990135.db2.gz LOIPLDJCDKQJPW-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+]2CCCO[C@H](CC)C2)n1 ZINC000685007356 487990140 /nfs/dbraw/zinc/99/01/40/487990140.db2.gz LOIPLDJCDKQJPW-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@H]1CCCN1c1nc[nH+]c2c1OCCN2 ZINC000665704023 487994207 /nfs/dbraw/zinc/99/42/07/487994207.db2.gz RKFYEPXQKMMUQN-QMMMGPOBSA-N 1 2 220.276 1.270 20 0 BDADLO C[C@H]1CCCN1c1[nH+]cnc2c1OCCN2 ZINC000665704023 487994212 /nfs/dbraw/zinc/99/42/12/487994212.db2.gz RKFYEPXQKMMUQN-QMMMGPOBSA-N 1 2 220.276 1.270 20 0 BDADLO Cc1sccc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000668603548 487995587 /nfs/dbraw/zinc/99/55/87/487995587.db2.gz FBNIYSNTJHAYQR-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1sccc1C[N@H+](C)Cc1cn(C)nn1 ZINC000668603548 487995593 /nfs/dbraw/zinc/99/55/93/487995593.db2.gz FBNIYSNTJHAYQR-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC2(CC2)C1 ZINC000668603965 487997458 /nfs/dbraw/zinc/99/74/58/487997458.db2.gz LWPDLNWOLWCQGZ-JTQLQIEISA-N 1 2 233.315 1.996 20 0 BDADLO CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000668604578 487997543 /nfs/dbraw/zinc/99/75/43/487997543.db2.gz QVXXNQWWESSSOK-RKDXNWHRSA-N 1 2 237.303 1.230 20 0 BDADLO CCc1nnc(C[N@H+](CCO)C(C)C)s1 ZINC000680045929 488006701 /nfs/dbraw/zinc/00/67/01/488006701.db2.gz PDACGCMERJENPA-UHFFFAOYSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](CCO)C(C)C)s1 ZINC000680045929 488006708 /nfs/dbraw/zinc/00/67/08/488006708.db2.gz PDACGCMERJENPA-UHFFFAOYSA-N 1 2 229.349 1.303 20 0 BDADLO CCn1ccnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000682672433 488009481 /nfs/dbraw/zinc/00/94/81/488009481.db2.gz BAJDPRKHEHVDNM-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO C[N@H+](CCOCC(F)(F)F)Cc1ncc[nH]1 ZINC000682673362 488010191 /nfs/dbraw/zinc/01/01/91/488010191.db2.gz PRNNDONRUWULHJ-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO C[N@@H+](CCOCC(F)(F)F)Cc1ncc[nH]1 ZINC000682673362 488010195 /nfs/dbraw/zinc/01/01/95/488010195.db2.gz PRNNDONRUWULHJ-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(C3CC3)cnn2C)C[C@H](C)O1 ZINC000667463929 488014866 /nfs/dbraw/zinc/01/48/66/488014866.db2.gz CRICWRPBBDVHAQ-PHIMTYICSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(C3CC3)cnn2C)C[C@H](C)O1 ZINC000667463929 488014868 /nfs/dbraw/zinc/01/48/68/488014868.db2.gz CRICWRPBBDVHAQ-PHIMTYICSA-N 1 2 249.358 1.907 20 0 BDADLO Cc1cc(NC(=O)C[C@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000668635138 488034593 /nfs/dbraw/zinc/03/45/93/488034593.db2.gz IOUKHUNHHACTHZ-GXFFZTMASA-N 1 2 248.326 1.956 20 0 BDADLO CCc1nocc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000668636483 488034848 /nfs/dbraw/zinc/03/48/48/488034848.db2.gz VJHHDQFXBQCJPY-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO CCN1OC[C@H]([NH+]2Cc3ccccc3C2)C1=O ZINC000682842066 488051725 /nfs/dbraw/zinc/05/17/25/488051725.db2.gz CVVFONRVVJOMEX-LBPRGKRZSA-N 1 2 232.283 1.165 20 0 BDADLO Cc1nc(N(CCO)CC(C)(C)C)cc[nH+]1 ZINC000677508524 488058971 /nfs/dbraw/zinc/05/89/71/488058971.db2.gz PXCGRRJJVBQWLA-UHFFFAOYSA-N 1 2 223.320 1.630 20 0 BDADLO Cc1nc(NC2CCCCC2)nc(N)[nH+]1 ZINC000075614820 488062861 /nfs/dbraw/zinc/06/28/61/488062861.db2.gz CXLMHPMHMXXNCZ-UHFFFAOYSA-N 1 2 207.281 1.507 20 0 BDADLO Cc1nc(N)nc(NC2CCCCC2)[nH+]1 ZINC000075614820 488062869 /nfs/dbraw/zinc/06/28/69/488062869.db2.gz CXLMHPMHMXXNCZ-UHFFFAOYSA-N 1 2 207.281 1.507 20 0 BDADLO COc1c(C)[nH+]cnc1NCCCOC(F)F ZINC000656185446 488063117 /nfs/dbraw/zinc/06/31/17/488063117.db2.gz CGEKDIKESBDGDO-UHFFFAOYSA-N 1 2 247.245 1.835 20 0 BDADLO CC(C)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080847 488066524 /nfs/dbraw/zinc/06/65/24/488066524.db2.gz WAZWBKQPWJEKSP-UHFFFAOYSA-N 1 2 222.292 1.099 20 0 BDADLO c1[nH+]c2n(c1CN1CCOC3(CCC3)C1)CCC2 ZINC000667666547 488081022 /nfs/dbraw/zinc/08/10/22/488081022.db2.gz PSYNCPPAITVELS-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO c1nc2n(c1C[N@@H+]1CCOC3(CCC3)C1)CCC2 ZINC000667666547 488081025 /nfs/dbraw/zinc/08/10/25/488081025.db2.gz PSYNCPPAITVELS-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO c1nc2n(c1C[N@H+]1CCOC3(CCC3)C1)CCC2 ZINC000667666547 488081030 /nfs/dbraw/zinc/08/10/30/488081030.db2.gz PSYNCPPAITVELS-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(O)cc2)n1 ZINC000682999288 488082165 /nfs/dbraw/zinc/08/21/65/488082165.db2.gz NCVNVGUWLNCFBF-QMMMGPOBSA-N 1 2 233.271 1.934 20 0 BDADLO CCCc1nnnn1Cc1ccc[nH+]c1C ZINC000685579788 488083031 /nfs/dbraw/zinc/08/30/31/488083031.db2.gz IANHWLXHFJIDDY-UHFFFAOYSA-N 1 2 217.276 1.377 20 0 BDADLO CO[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000230320331 488085810 /nfs/dbraw/zinc/08/58/10/488085810.db2.gz UEZYTZFLLXLTPZ-LLVKDONJSA-N 1 2 222.288 1.189 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000672344879 488087667 /nfs/dbraw/zinc/08/76/67/488087667.db2.gz HNXXXMNDMUMGAI-GMTAPVOTSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN(C)C(=O)C2(C)C)c1 ZINC000683010424 488090787 /nfs/dbraw/zinc/09/07/87/488090787.db2.gz AQVPPLQIVQPTQB-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN(C)C(=O)C2(C)C)c1 ZINC000683010424 488090791 /nfs/dbraw/zinc/09/07/91/488090791.db2.gz AQVPPLQIVQPTQB-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000683014439 488093201 /nfs/dbraw/zinc/09/32/01/488093201.db2.gz QRWLDQSJUTXWNH-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000683014439 488093203 /nfs/dbraw/zinc/09/32/03/488093203.db2.gz QRWLDQSJUTXWNH-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO C[C@@]1(O)CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000230374039 488093890 /nfs/dbraw/zinc/09/38/90/488093890.db2.gz IXYZGWJAFXJOSJ-CYBMUJFWSA-N 1 2 236.315 1.315 20 0 BDADLO CC[C@@]1([NH2+]Cc2noc(C3CC3)n2)CCOC1 ZINC000683042685 488102892 /nfs/dbraw/zinc/10/28/92/488102892.db2.gz NVAOUYMUMRBHQT-GFCCVEGCSA-N 1 2 237.303 1.606 20 0 BDADLO COCC1([N@H+](C)Cc2nc(C3CC3)no2)CC1 ZINC000677728284 488104977 /nfs/dbraw/zinc/10/49/77/488104977.db2.gz SBTBJVGERAVISR-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO COCC1([N@@H+](C)Cc2nc(C3CC3)no2)CC1 ZINC000677728284 488104983 /nfs/dbraw/zinc/10/49/83/488104983.db2.gz SBTBJVGERAVISR-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1C ZINC000677731736 488109577 /nfs/dbraw/zinc/10/95/77/488109577.db2.gz LGBWICPSSNPCGC-MRVPVSSYSA-N 1 2 230.262 1.211 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)F)C2)n1C ZINC000677731736 488109582 /nfs/dbraw/zinc/10/95/82/488109582.db2.gz LGBWICPSSNPCGC-MRVPVSSYSA-N 1 2 230.262 1.211 20 0 BDADLO C[C@@H]1C[C@H]1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000683108183 488110402 /nfs/dbraw/zinc/11/04/02/488110402.db2.gz DLDGKAXDQBBDED-ZJUUUORDSA-N 1 2 229.287 1.730 20 0 BDADLO CCCNC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677733034 488111686 /nfs/dbraw/zinc/11/16/86/488111686.db2.gz JKZRCTVWLYWUKA-UHFFFAOYSA-N 1 2 232.274 1.244 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000451814576 488114292 /nfs/dbraw/zinc/11/42/92/488114292.db2.gz KMFBFEWMUYVBIE-CMPLNLGQSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@H]1C(F)F ZINC000677737051 488115231 /nfs/dbraw/zinc/11/52/31/488115231.db2.gz NEQXETQTWIGIPT-VIFPVBQESA-N 1 2 215.247 1.650 20 0 BDADLO c1cn(CCSc2nnc3ccccn32)c[nH+]1 ZINC000677794478 488121826 /nfs/dbraw/zinc/12/18/26/488121826.db2.gz YKYPRPYYMRAQAV-UHFFFAOYSA-N 1 2 245.311 1.718 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000670112179 488124844 /nfs/dbraw/zinc/12/48/44/488124844.db2.gz FYMDZQDRXQRLKZ-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000670112179 488124851 /nfs/dbraw/zinc/12/48/51/488124851.db2.gz FYMDZQDRXQRLKZ-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO CCc1nnc([C@@H](C)Nc2cc(CC)[nH+]cn2)[nH]1 ZINC000677809659 488129291 /nfs/dbraw/zinc/12/92/91/488129291.db2.gz NYUIGGSJPFOWEJ-MRVPVSSYSA-N 1 2 246.318 1.893 20 0 BDADLO CC1(NC(=O)Cn2cc[nH+]c2)CC=CC1 ZINC000655223332 487546433 /nfs/dbraw/zinc/54/64/33/487546433.db2.gz PSFSFSLQJOGXFJ-UHFFFAOYSA-N 1 2 205.261 1.108 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCO[C@H](CC)C2 ZINC000666171207 487547880 /nfs/dbraw/zinc/54/78/80/487547880.db2.gz NRUQEALPGSEURI-YPMHNXCESA-N 1 2 240.347 1.504 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12CCO[C@H](CC)C2 ZINC000666171207 487547886 /nfs/dbraw/zinc/54/78/86/487547886.db2.gz NRUQEALPGSEURI-YPMHNXCESA-N 1 2 240.347 1.504 20 0 BDADLO Cc1ccc(N[C@H]2CCCNC(=O)C2)c(C)[nH+]1 ZINC000094664988 487549917 /nfs/dbraw/zinc/54/99/17/487549917.db2.gz NMMRNLHHBQODKD-NSHDSACASA-N 1 2 233.315 1.779 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000685570291 487551337 /nfs/dbraw/zinc/55/13/37/487551337.db2.gz BHPQLZDNVKOXBU-NSHDSACASA-N 1 2 249.314 1.098 20 0 BDADLO COc1ccc(NC(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000680232276 487551325 /nfs/dbraw/zinc/55/13/25/487551325.db2.gz AAUZWUTZDNRAGZ-UHFFFAOYSA-N 1 2 247.258 1.135 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000685570291 487551333 /nfs/dbraw/zinc/55/13/33/487551333.db2.gz BHPQLZDNVKOXBU-NSHDSACASA-N 1 2 249.314 1.098 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC[C@H]2C2CC2)o1 ZINC000685570049 487551821 /nfs/dbraw/zinc/55/18/21/487551821.db2.gz FVYHVNNWIWYAAN-LBPRGKRZSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC[C@H]2C2CC2)o1 ZINC000685570049 487551823 /nfs/dbraw/zinc/55/18/23/487551823.db2.gz FVYHVNNWIWYAAN-LBPRGKRZSA-N 1 2 236.315 1.902 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000668786524 487531423 /nfs/dbraw/zinc/53/14/23/487531423.db2.gz CDGCVUWOMRAKOR-CABZTGNLSA-N 1 2 249.339 1.750 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000669561197 487474093 /nfs/dbraw/zinc/47/40/93/487474093.db2.gz XIXDMBHECTYFRS-SNVBAGLBSA-N 1 2 245.273 1.105 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@]1(C)CCCO1)CC2 ZINC000679893235 487481420 /nfs/dbraw/zinc/48/14/20/487481420.db2.gz AYGRAXUDRDUECN-CYBMUJFWSA-N 1 2 249.314 1.103 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1noc2c1CCCC2 ZINC000673934635 487484158 /nfs/dbraw/zinc/48/41/58/487484158.db2.gz FXGOCYMTCKQRDS-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1noc2c1CCCC2 ZINC000673934635 487484163 /nfs/dbraw/zinc/48/41/63/487484163.db2.gz FXGOCYMTCKQRDS-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000682672582 487480098 /nfs/dbraw/zinc/48/00/98/487480098.db2.gz FOEAACZQXVMMSL-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000682672582 487480107 /nfs/dbraw/zinc/48/01/07/487480107.db2.gz FOEAACZQXVMMSL-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CCOCC1 ZINC000673943887 487486931 /nfs/dbraw/zinc/48/69/31/487486931.db2.gz APVUMBUFNKNGGJ-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCn1cccc1 ZINC000673942001 487486940 /nfs/dbraw/zinc/48/69/40/487486940.db2.gz NFJZVVSTYLLAGJ-UHFFFAOYSA-N 1 2 246.314 1.281 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000685003298 487490327 /nfs/dbraw/zinc/49/03/27/487490327.db2.gz VVSIVVFGUJBNOA-SSDOTTSWSA-N 1 2 246.261 1.223 20 0 BDADLO CN(C)c1noc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000685003298 487490330 /nfs/dbraw/zinc/49/03/30/487490330.db2.gz VVSIVVFGUJBNOA-SSDOTTSWSA-N 1 2 246.261 1.223 20 0 BDADLO CCN(CCCO)c1cc[nH+]c(C(C)(C)C)n1 ZINC000674077268 487511222 /nfs/dbraw/zinc/51/12/22/487511222.db2.gz DQRABXXKMWDIMZ-UHFFFAOYSA-N 1 2 237.347 1.983 20 0 BDADLO COC[C@@](C)(CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000674067356 487508698 /nfs/dbraw/zinc/50/86/98/487508698.db2.gz IURZENWBTWAOPM-CYBMUJFWSA-N 1 2 249.314 1.050 20 0 BDADLO Cc1csc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000295899016 487515878 /nfs/dbraw/zinc/51/58/78/487515878.db2.gz DASBTOVIGNCVII-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CCC2 ZINC000675296700 487516860 /nfs/dbraw/zinc/51/68/60/487516860.db2.gz PYBBRJYLJZNIIJ-QWRGUYRKSA-N 1 2 233.315 1.578 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2CO)s1 ZINC000680047004 487527388 /nfs/dbraw/zinc/52/73/88/487527388.db2.gz ZJDUZFOZDKHXGL-VIFPVBQESA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@H]2CO)s1 ZINC000680047004 487527389 /nfs/dbraw/zinc/52/73/89/487527389.db2.gz ZJDUZFOZDKHXGL-VIFPVBQESA-N 1 2 241.360 1.447 20 0 BDADLO COCC[N@H+](Cc1cn[nH]c1)Cc1ccccn1 ZINC000685454624 487526892 /nfs/dbraw/zinc/52/68/92/487526892.db2.gz WSVHEDDKPLLAIX-UHFFFAOYSA-N 1 2 246.314 1.453 20 0 BDADLO COCC[N@@H+](Cc1cn[nH]c1)Cc1ccccn1 ZINC000685454624 487526896 /nfs/dbraw/zinc/52/68/96/487526896.db2.gz WSVHEDDKPLLAIX-UHFFFAOYSA-N 1 2 246.314 1.453 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC2(CC2)C1 ZINC000334671280 487534462 /nfs/dbraw/zinc/53/44/62/487534462.db2.gz QCFAYUYWWSIHJM-UHFFFAOYSA-N 1 2 227.267 1.570 20 0 BDADLO FC(F)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000680085895 487534961 /nfs/dbraw/zinc/53/49/61/487534961.db2.gz UUSASERLPWDYDW-SNVBAGLBSA-N 1 2 219.275 2.000 20 0 BDADLO Cc1[nH+]cccc1Cn1ncc2c1C[C@@H](O)CC2 ZINC000685580667 487558115 /nfs/dbraw/zinc/55/81/15/487558115.db2.gz LOUCMCBDIJYIPM-ZDUSSCGKSA-N 1 2 243.310 1.484 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000685843232 487586698 /nfs/dbraw/zinc/58/66/98/487586698.db2.gz VJSXDXZBYYEPTL-SECBINFHSA-N 1 2 245.273 1.922 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000685843232 487586696 /nfs/dbraw/zinc/58/66/96/487586696.db2.gz VJSXDXZBYYEPTL-SECBINFHSA-N 1 2 245.273 1.922 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000685843232 487586697 /nfs/dbraw/zinc/58/66/97/487586697.db2.gz VJSXDXZBYYEPTL-SECBINFHSA-N 1 2 245.273 1.922 20 0 BDADLO Cc1ccc2[nH+]c(CNc3c[nH]cn3)cn2c1 ZINC000685845663 487586766 /nfs/dbraw/zinc/58/67/66/487586766.db2.gz FYBPHJVLLHOTMJ-UHFFFAOYSA-N 1 2 227.271 1.978 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)on2)[nH]n1 ZINC000309809042 487724911 /nfs/dbraw/zinc/72/49/11/487724911.db2.gz SYUPPTNFEYCGJO-VIFPVBQESA-N 1 2 220.276 1.865 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2(C)CCC2)[nH+]1 ZINC000676082826 487812078 /nfs/dbraw/zinc/81/20/78/487812078.db2.gz VTYLKWIGZLSYOG-UHFFFAOYSA-N 1 2 235.335 1.848 20 0 BDADLO Cc1nc(NCC2(C)CCC2)nc(N(C)C)[nH+]1 ZINC000676082826 487812079 /nfs/dbraw/zinc/81/20/79/487812079.db2.gz VTYLKWIGZLSYOG-UHFFFAOYSA-N 1 2 235.335 1.848 20 0 BDADLO CCc1nc(C[N@@H+]2CCCCC[C@H]2CO)no1 ZINC000157072618 487900720 /nfs/dbraw/zinc/90/07/20/487900720.db2.gz SSQZZSQIJAFIGY-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCCCC[C@H]2CO)no1 ZINC000157072618 487900723 /nfs/dbraw/zinc/90/07/23/487900723.db2.gz SSQZZSQIJAFIGY-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+](C)CCOC(C)(C)C ZINC000682531080 487977306 /nfs/dbraw/zinc/97/73/06/487977306.db2.gz XQWXJIXKOVFUJQ-VIFPVBQESA-N 1 2 241.339 1.018 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+](C)CCOC(C)(C)C ZINC000682531080 487977308 /nfs/dbraw/zinc/97/73/08/487977308.db2.gz XQWXJIXKOVFUJQ-VIFPVBQESA-N 1 2 241.339 1.018 20 0 BDADLO CCc1nocc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000667359827 487985665 /nfs/dbraw/zinc/98/56/65/487985665.db2.gz PLGSUCKZDCHCCA-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000668603138 487995840 /nfs/dbraw/zinc/99/58/40/487995840.db2.gz CIRQCEFDMRXVNY-ZJUUUORDSA-N 1 2 237.303 1.231 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403157715 488115940 /nfs/dbraw/zinc/11/59/40/488115940.db2.gz FDVXIAPDJNTQRH-IWSPIJDZSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403157715 488115944 /nfs/dbraw/zinc/11/59/44/488115944.db2.gz FDVXIAPDJNTQRH-IWSPIJDZSA-N 1 2 234.303 1.668 20 0 BDADLO CCCc1noc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000677802828 488125743 /nfs/dbraw/zinc/12/57/43/488125743.db2.gz SPFLSFNSCRSIAV-UHFFFAOYSA-N 1 2 235.291 1.377 20 0 BDADLO O=c1[nH]c2ccc(C[NH2+]Cc3cocn3)cc2[nH]1 ZINC000683204330 488129581 /nfs/dbraw/zinc/12/95/81/488129581.db2.gz JBGVYDKWQAOQOM-UHFFFAOYSA-N 1 2 244.254 1.546 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCC[C@H]1C ZINC000230720945 488142053 /nfs/dbraw/zinc/14/20/53/488142053.db2.gz PVDOQWXMIAXILT-BDAKNGLRSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCC[C@H]1C ZINC000230720945 488142054 /nfs/dbraw/zinc/14/20/54/488142054.db2.gz PVDOQWXMIAXILT-BDAKNGLRSA-N 1 2 236.319 1.916 20 0 BDADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)co1 ZINC000403921499 488142562 /nfs/dbraw/zinc/14/25/62/488142562.db2.gz FLAFKMTZYQXABY-VIFPVBQESA-N 1 2 246.257 1.433 20 0 BDADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)co1 ZINC000403921499 488142564 /nfs/dbraw/zinc/14/25/64/488142564.db2.gz FLAFKMTZYQXABY-VIFPVBQESA-N 1 2 246.257 1.433 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000518327693 488142657 /nfs/dbraw/zinc/14/26/57/488142657.db2.gz ATHSLMIWUJZSCU-WCQYABFASA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000518327693 488142662 /nfs/dbraw/zinc/14/26/62/488142662.db2.gz ATHSLMIWUJZSCU-WCQYABFASA-N 1 2 235.331 1.893 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ccoc2)nn1 ZINC000404417280 488157547 /nfs/dbraw/zinc/15/75/47/488157547.db2.gz PAUIIGJQWPXPFN-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccnn2C(C)C)nn1 ZINC000404462424 488163261 /nfs/dbraw/zinc/16/32/61/488163261.db2.gz SEAFYJJFKOKDPT-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cccc(O)c2)nn1 ZINC000404485899 488163793 /nfs/dbraw/zinc/16/37/93/488163793.db2.gz BGFXHQRDTVZKCJ-JTQLQIEISA-N 1 2 246.314 1.854 20 0 BDADLO Cc1cccn2c(NC(=O)N[C@@H](C)CO)c[nH+]c12 ZINC000667947782 488165593 /nfs/dbraw/zinc/16/55/93/488165593.db2.gz ASOLGZSNUCYVOM-VIFPVBQESA-N 1 2 248.286 1.145 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551057 488167537 /nfs/dbraw/zinc/16/75/37/488167537.db2.gz SIFHJHRFLBTYNY-VWYCJHECSA-N 1 2 233.315 1.218 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150118 488170126 /nfs/dbraw/zinc/17/01/26/488170126.db2.gz GGKJXVCKVCDLNU-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(C)(F)F ZINC000627372183 488182713 /nfs/dbraw/zinc/18/27/13/488182713.db2.gz FXDNQZQBOSJTNH-SSDOTTSWSA-N 1 2 243.257 1.586 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(C)(F)F ZINC000627372183 488182716 /nfs/dbraw/zinc/18/27/16/488182716.db2.gz FXDNQZQBOSJTNH-SSDOTTSWSA-N 1 2 243.257 1.586 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000668007063 488183111 /nfs/dbraw/zinc/18/31/11/488183111.db2.gz LJCFEXWIMSLPBR-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000668007063 488183115 /nfs/dbraw/zinc/18/31/15/488183115.db2.gz LJCFEXWIMSLPBR-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)(C(=O)NCCC(F)(F)F)c1c[nH]c[nH+]1 ZINC000670418699 488184816 /nfs/dbraw/zinc/18/48/16/488184816.db2.gz YEXWJQVCXDZZPG-UHFFFAOYSA-N 1 2 249.236 1.756 20 0 BDADLO c1coc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000668736041 488185933 /nfs/dbraw/zinc/18/59/33/488185933.db2.gz RYUBHNKAHZTVMA-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO c1coc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000668736041 488185934 /nfs/dbraw/zinc/18/59/34/488185934.db2.gz RYUBHNKAHZTVMA-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCCOC[C@@H]1C ZINC000678095649 488197594 /nfs/dbraw/zinc/19/75/94/488197594.db2.gz IFKFFDHKJICIHT-NSHDSACASA-N 1 2 249.314 1.455 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](C)C1CC1 ZINC000678096203 488197673 /nfs/dbraw/zinc/19/76/73/488197673.db2.gz WJYRXLWKRQNBKU-VIFPVBQESA-N 1 2 233.315 1.980 20 0 BDADLO Cc1cc(NC(=O)NCc2cocn2)c(C)c[nH+]1 ZINC000678098615 488198482 /nfs/dbraw/zinc/19/84/82/488198482.db2.gz MCDYRJRMFRNIDH-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000642949249 488200597 /nfs/dbraw/zinc/20/05/97/488200597.db2.gz HIIPYYQCKYVGJR-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO c1cn(Cc2nc(C3CCC3)no2)c[nH+]1 ZINC000683580361 488200919 /nfs/dbraw/zinc/20/09/19/488200919.db2.gz OHLNMAWTFPUAHU-UHFFFAOYSA-N 1 2 204.233 1.582 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(Cl)o1 ZINC000678139475 488205023 /nfs/dbraw/zinc/20/50/23/488205023.db2.gz SQYDBBNQLZANKJ-UHFFFAOYSA-N 1 2 244.722 1.843 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(Cl)o1 ZINC000678139475 488205026 /nfs/dbraw/zinc/20/50/26/488205026.db2.gz SQYDBBNQLZANKJ-UHFFFAOYSA-N 1 2 244.722 1.843 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)nc2)[C@@H](C)CO1 ZINC000678153666 488209479 /nfs/dbraw/zinc/20/94/79/488209479.db2.gz POZUWIBPFVOMSB-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)[C@@H](C)CO1 ZINC000678153666 488209482 /nfs/dbraw/zinc/20/94/82/488209482.db2.gz POZUWIBPFVOMSB-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO CN(Cc1ncc(C2CC2)o1)Cc1[nH]cc[nH+]1 ZINC000678164241 488210380 /nfs/dbraw/zinc/21/03/80/488210380.db2.gz GPPKICJUTLHAHN-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO CCn1nncc1CNc1ccc(OC)c[nH+]1 ZINC000668154938 488210973 /nfs/dbraw/zinc/21/09/73/488210973.db2.gz RGDUNCPZXITFPB-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)[C@@H](C)CO1 ZINC000224956407 488218311 /nfs/dbraw/zinc/21/83/11/488218311.db2.gz NSJHSLSYOFAPKA-VHSXEESVSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)[C@@H](C)CO1 ZINC000224956407 488218315 /nfs/dbraw/zinc/21/83/15/488218315.db2.gz NSJHSLSYOFAPKA-VHSXEESVSA-N 1 2 221.304 1.273 20 0 BDADLO CC1CCN(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000085968745 488221963 /nfs/dbraw/zinc/22/19/63/488221963.db2.gz ZSODZQJFTMJMAN-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000668203723 488223822 /nfs/dbraw/zinc/22/38/22/488223822.db2.gz QLJUUWYQEQFIPH-JTQLQIEISA-N 1 2 221.304 1.050 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnn2c1CCC2 ZINC000668203723 488223824 /nfs/dbraw/zinc/22/38/24/488223824.db2.gz QLJUUWYQEQFIPH-JTQLQIEISA-N 1 2 221.304 1.050 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cc1cscn1 ZINC000668746774 488225602 /nfs/dbraw/zinc/22/56/02/488225602.db2.gz VZOHZCLTJUWNAL-UHFFFAOYSA-N 1 2 247.323 1.704 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)cn2)CC(C)(C)O1 ZINC000683899124 488241283 /nfs/dbraw/zinc/24/12/83/488241283.db2.gz XVPOPAFPOTYKKC-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)cn2)CC(C)(C)O1 ZINC000683899124 488241285 /nfs/dbraw/zinc/24/12/85/488241285.db2.gz XVPOPAFPOTYKKC-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672151982 488241525 /nfs/dbraw/zinc/24/15/25/488241525.db2.gz CZHKQPKOAFULMT-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153135 488242051 /nfs/dbraw/zinc/24/20/51/488242051.db2.gz RXCMXZIMBJGHGT-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150228 488242063 /nfs/dbraw/zinc/24/20/63/488242063.db2.gz JCLMBAHLSZSUOV-MNOVXSKESA-N 1 2 235.331 1.606 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccs1 ZINC000672157129 488242641 /nfs/dbraw/zinc/24/26/41/488242641.db2.gz ZWAZBHPJWDPWAZ-SECBINFHSA-N 1 2 247.323 1.689 20 0 BDADLO CCc1nc(N2CCCOC[C@@H]2C)cc(C)[nH+]1 ZINC000672240859 488247076 /nfs/dbraw/zinc/24/70/76/488247076.db2.gz VOGXMOGOWHQUPL-NSHDSACASA-N 1 2 235.331 1.963 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCc2cnccn2)n1 ZINC000678466501 488257893 /nfs/dbraw/zinc/25/78/93/488257893.db2.gz BJZOHKGQAZEKMB-SECBINFHSA-N 1 2 247.302 1.404 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCc2cnccn2)n1 ZINC000678466501 488257894 /nfs/dbraw/zinc/25/78/94/488257894.db2.gz BJZOHKGQAZEKMB-SECBINFHSA-N 1 2 247.302 1.404 20 0 BDADLO COCc1cnc(C[NH2+]Cc2ccccn2)s1 ZINC000678494890 488262137 /nfs/dbraw/zinc/26/21/37/488262137.db2.gz FXZJRMAQAFKUPY-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@H]1CCCO1 ZINC000672723997 488264674 /nfs/dbraw/zinc/26/46/74/488264674.db2.gz DXAUVABTUQXBKC-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccoc1 ZINC000678592177 488269323 /nfs/dbraw/zinc/26/93/23/488269323.db2.gz ACNBFBKHDYDAMB-MRVPVSSYSA-N 1 2 233.275 1.452 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000672950649 488269912 /nfs/dbraw/zinc/26/99/12/488269912.db2.gz MXCSHALSDYSXOQ-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO CC[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000672990880 488270692 /nfs/dbraw/zinc/27/06/92/488270692.db2.gz VHAZVEARYZTWDF-JQWIXIFHSA-N 1 2 235.331 1.658 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000678624909 488273584 /nfs/dbraw/zinc/27/35/84/488273584.db2.gz SLYAAVUKCXTBJC-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000678624909 488273588 /nfs/dbraw/zinc/27/35/88/488273588.db2.gz SLYAAVUKCXTBJC-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CNC(=O)C1CCN(c2cc[nH+]cc2F)CC1 ZINC000678787260 488282820 /nfs/dbraw/zinc/28/28/20/488282820.db2.gz GECAVKLCWMEUIF-UHFFFAOYSA-N 1 2 237.278 1.183 20 0 BDADLO OC[C@@H](Cc1ccccc1)Nc1cc[nH+]cc1F ZINC000678788316 488283633 /nfs/dbraw/zinc/28/36/33/488283633.db2.gz ITRQZFOVCQEKEI-GFCCVEGCSA-N 1 2 246.285 1.658 20 0 BDADLO CCCn1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000673655057 488301001 /nfs/dbraw/zinc/30/10/01/488301001.db2.gz MLEHKCVDEFOWDS-UHFFFAOYSA-N 1 2 233.275 1.128 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](c2ccco2)C1 ZINC000673667736 488302026 /nfs/dbraw/zinc/30/20/26/488302026.db2.gz VEJWZCWAIUDQAR-LLVKDONJSA-N 1 2 245.282 1.492 20 0 BDADLO CC1(C)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000673668586 488302527 /nfs/dbraw/zinc/30/25/27/488302527.db2.gz FPUJBYBJMJMLHM-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CC(C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC000684381303 488303273 /nfs/dbraw/zinc/30/32/73/488303273.db2.gz AQEKJAQEJSPLDC-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1c(O)cccc1F ZINC000684471703 488318286 /nfs/dbraw/zinc/31/82/86/488318286.db2.gz WNYOVCUIHADNKI-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1c(O)cccc1F ZINC000684471703 488318288 /nfs/dbraw/zinc/31/82/88/488318288.db2.gz WNYOVCUIHADNKI-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@H]1F ZINC000679223828 488320498 /nfs/dbraw/zinc/32/04/98/488320498.db2.gz LZUWRORZEQNPRJ-NWDGAFQWSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@H]1F ZINC000679223828 488320500 /nfs/dbraw/zinc/32/05/00/488320500.db2.gz LZUWRORZEQNPRJ-NWDGAFQWSA-N 1 2 242.338 1.679 20 0 BDADLO Nc1nc(N2CC=CCC2)[nH+]c2ccccc12 ZINC000679279823 488328326 /nfs/dbraw/zinc/32/83/26/488328326.db2.gz KSWQNASGMPMLKQ-UHFFFAOYSA-N 1 2 226.283 1.978 20 0 BDADLO CC1(F)CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000684593075 488329945 /nfs/dbraw/zinc/32/99/45/488329945.db2.gz UTSMPELJGUXZIK-UHFFFAOYSA-N 1 2 233.250 1.211 20 0 BDADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC=CCC1 ZINC000679323938 488336924 /nfs/dbraw/zinc/33/69/24/488336924.db2.gz VVOSKHYGYYSZQH-UHFFFAOYSA-N 1 2 236.237 1.269 20 0 BDADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC=CCC1 ZINC000679323938 488336925 /nfs/dbraw/zinc/33/69/25/488336925.db2.gz VVOSKHYGYYSZQH-UHFFFAOYSA-N 1 2 236.237 1.269 20 0 BDADLO C[C@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684821082 488346390 /nfs/dbraw/zinc/34/63/90/488346390.db2.gz MYRWOAHKCFTZJP-WCBMZHEXSA-N 1 2 215.256 1.929 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)nn1 ZINC000679683319 488364460 /nfs/dbraw/zinc/36/44/60/488364460.db2.gz LLFMHUBKTWQOHM-SECBINFHSA-N 1 2 246.261 1.019 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)nn1 ZINC000679683319 488364462 /nfs/dbraw/zinc/36/44/62/488364462.db2.gz LLFMHUBKTWQOHM-SECBINFHSA-N 1 2 246.261 1.019 20 0 BDADLO c1ccc(NCc2ncc3c(n2)CCOC3)[nH+]c1 ZINC000651392036 490088886 /nfs/dbraw/zinc/08/88/86/490088886.db2.gz CVLRFIFWFUHUNE-UHFFFAOYSA-N 1 2 242.282 1.556 20 0 BDADLO Cc1nc(NCCc2cncnc2)cc[nH+]1 ZINC000528199075 490102281 /nfs/dbraw/zinc/10/22/81/490102281.db2.gz TXWZZRUAAWHANY-UHFFFAOYSA-N 1 2 215.260 1.230 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000563072893 490102566 /nfs/dbraw/zinc/10/25/66/490102566.db2.gz ZLYLFXWUYGUYNP-PEGIJTEDSA-N 1 2 248.330 1.501 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc(NCC2CC2)[nH+]cn1 ZINC000682619215 490132073 /nfs/dbraw/zinc/13/20/73/490132073.db2.gz FFOBZDRGGKEKDE-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc(NCC2CC2)nc[nH+]1 ZINC000682619215 490132081 /nfs/dbraw/zinc/13/20/81/490132081.db2.gz FFOBZDRGGKEKDE-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO CN1C[C@H]([N@H+](C)Cc2cscn2)CCC1=O ZINC000653696304 490192254 /nfs/dbraw/zinc/19/22/54/490192254.db2.gz ZQYAWYVUQUHNBJ-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CN1C[C@H]([N@@H+](C)Cc2cscn2)CCC1=O ZINC000653696304 490192263 /nfs/dbraw/zinc/19/22/63/490192263.db2.gz ZQYAWYVUQUHNBJ-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1ccc(Cl)o1 ZINC000070124897 490199710 /nfs/dbraw/zinc/19/97/10/490199710.db2.gz DFHLYRJHRUFLQG-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO Cc1cc(NC(=O)c2cc[nH]c(=O)c2)cc[nH+]1 ZINC000074716005 490204022 /nfs/dbraw/zinc/20/40/22/490204022.db2.gz UHNXPXIHCDBXBE-UHFFFAOYSA-N 1 2 229.239 1.331 20 0 BDADLO CC1(F)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000684332694 490213450 /nfs/dbraw/zinc/21/34/50/490213450.db2.gz QLNDQABYKLPORH-VIFPVBQESA-N 1 2 237.278 1.016 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618870 490359201 /nfs/dbraw/zinc/35/92/01/490359201.db2.gz PJABHUFGBLNMKN-UTLUCORTSA-N 1 2 236.319 1.251 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618870 490359204 /nfs/dbraw/zinc/35/92/04/490359204.db2.gz PJABHUFGBLNMKN-UTLUCORTSA-N 1 2 236.319 1.251 20 0 BDADLO OCC[N@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000639124906 490377258 /nfs/dbraw/zinc/37/72/58/490377258.db2.gz ZAVKPFIFGQIRRS-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO OCC[N@@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000639124906 490377259 /nfs/dbraw/zinc/37/72/59/490377259.db2.gz ZAVKPFIFGQIRRS-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)C1CC1 ZINC000079769399 490462933 /nfs/dbraw/zinc/46/29/33/490462933.db2.gz VZDYOKVUOOKASA-VIFPVBQESA-N 1 2 245.273 1.481 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)C1CC1 ZINC000079769399 490462936 /nfs/dbraw/zinc/46/29/36/490462936.db2.gz VZDYOKVUOOKASA-VIFPVBQESA-N 1 2 245.273 1.481 20 0 BDADLO Cc1cc(NC(=O)N(C)C[C@H](O)C2CC2)cc[nH+]1 ZINC000305737983 490488302 /nfs/dbraw/zinc/48/83/02/490488302.db2.gz QNPBEABCQZSCKN-LBPRGKRZSA-N 1 2 249.314 1.625 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1 ZINC000074726828 490500761 /nfs/dbraw/zinc/50/07/61/490500761.db2.gz RIJPMOVOLZAOMX-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1 ZINC000074726828 490500755 /nfs/dbraw/zinc/50/07/55/490500755.db2.gz RIJPMOVOLZAOMX-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccn1 ZINC000074727307 490502613 /nfs/dbraw/zinc/50/26/13/490502613.db2.gz VMUGOPFSCRRLDG-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccn1 ZINC000074727307 490502617 /nfs/dbraw/zinc/50/26/17/490502617.db2.gz VMUGOPFSCRRLDG-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO Cc1cc(NC(=O)NCC2(CO)CC2)cc[nH+]1 ZINC000305749797 490510070 /nfs/dbraw/zinc/51/00/70/490510070.db2.gz XZYZQMHYIVHXQL-UHFFFAOYSA-N 1 2 235.287 1.284 20 0 BDADLO CCc1cc(NCCCn2ccnn2)nc[nH+]1 ZINC000127419769 490547643 /nfs/dbraw/zinc/54/76/43/490547643.db2.gz LTSGXSNQRUDGJG-UHFFFAOYSA-N 1 2 232.291 1.133 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CCOC[C@H]1C ZINC000300838026 490570803 /nfs/dbraw/zinc/57/08/03/490570803.db2.gz IZAMHDRNOBBDIW-ZJUUUORDSA-N 1 2 222.288 1.927 20 0 BDADLO OCC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000128377023 490577235 /nfs/dbraw/zinc/57/72/35/490577235.db2.gz KKUGYHKKXKVYEN-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OCC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000128377023 490577244 /nfs/dbraw/zinc/57/72/44/490577244.db2.gz KKUGYHKKXKVYEN-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO C[C@H](CO)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000129007448 490596953 /nfs/dbraw/zinc/59/69/53/490596953.db2.gz FHVGFBWRVXLOOZ-ZETCQYMHSA-N 1 2 226.226 1.943 20 0 BDADLO Cc1cc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)nn1C ZINC000661463151 490682759 /nfs/dbraw/zinc/68/27/59/490682759.db2.gz NRADRKZRGABHBK-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)nn1C ZINC000661463151 490682764 /nfs/dbraw/zinc/68/27/64/490682764.db2.gz NRADRKZRGABHBK-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]CC(F)F ZINC000309164921 491052678 /nfs/dbraw/zinc/05/26/78/491052678.db2.gz IOZKHBZOBXGHPN-SNVBAGLBSA-N 1 2 215.243 1.883 20 0 BDADLO C[C@](CO)([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000227212904 491056269 /nfs/dbraw/zinc/05/62/69/491056269.db2.gz BSRMLSQRVWTFTC-CYBMUJFWSA-N 1 2 231.299 1.407 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc3c2CCC3)n1 ZINC000651743063 491074440 /nfs/dbraw/zinc/07/44/40/491074440.db2.gz HMXZGQJPXVVLEN-UHFFFAOYSA-N 1 2 242.326 1.594 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)[C@@H](C)CO1 ZINC000651404854 491059398 /nfs/dbraw/zinc/05/93/98/491059398.db2.gz FALMPGZDGQPNKI-ONGXEEELSA-N 1 2 221.304 1.789 20 0 BDADLO CC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000087202708 491066891 /nfs/dbraw/zinc/06/68/91/491066891.db2.gz FUYGVIMIIANDCS-UHFFFAOYSA-N 1 2 219.288 1.036 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000119949204 491093628 /nfs/dbraw/zinc/09/36/28/491093628.db2.gz YLCCAKASXJNLLP-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000119949204 491093629 /nfs/dbraw/zinc/09/36/29/491093629.db2.gz YLCCAKASXJNLLP-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCCC3)C2)n(C)n1 ZINC000334924058 491122125 /nfs/dbraw/zinc/12/21/25/491122125.db2.gz KGBNHIHRZGYVGM-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCCC3)C2)n(C)n1 ZINC000334924058 491122126 /nfs/dbraw/zinc/12/21/26/491122126.db2.gz KGBNHIHRZGYVGM-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO O=C(CCn1cccc1)NCCCn1cc[nH+]c1 ZINC000081223295 491126090 /nfs/dbraw/zinc/12/60/90/491126090.db2.gz XEBZOWFIJMMXLA-UHFFFAOYSA-N 1 2 246.314 1.281 20 0 BDADLO O=C(NCCNc1cc[nH+]cc1F)C1CC1 ZINC000309508670 491150556 /nfs/dbraw/zinc/15/05/56/491150556.db2.gz OGGPCRWRUFMSPA-UHFFFAOYSA-N 1 2 223.251 1.159 20 0 BDADLO OC1C[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000297461599 974936613 /nfs/dbraw/zinc/93/66/13/974936613.db2.gz QCKMRTKGVDGVJP-UHFFFAOYSA-N 1 2 229.226 1.465 20 0 BDADLO CCO[C@H](C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000860576510 589107081 /nfs/dbraw/zinc/10/70/81/589107081.db2.gz VMRHEGRCJBUBFK-NSHDSACASA-N 1 2 238.287 1.278 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493293390 533808494 /nfs/dbraw/zinc/80/84/94/533808494.db2.gz URORRGDDBWLLHT-QKMQQOOLSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\Cl ZINC000891202879 582628665 /nfs/dbraw/zinc/62/86/65/582628665.db2.gz WLMWXZOXAWGRFQ-KZUAUGPASA-N 1 2 227.695 1.457 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\Cl ZINC000891202879 582628667 /nfs/dbraw/zinc/62/86/67/582628667.db2.gz WLMWXZOXAWGRFQ-KZUAUGPASA-N 1 2 227.695 1.457 20 0 BDADLO COC(=O)N1CCC(CNc2cccc[nH+]2)CC1 ZINC000495757859 533938506 /nfs/dbraw/zinc/93/85/06/533938506.db2.gz ABANSTYTIXPQOE-UHFFFAOYSA-N 1 2 249.314 1.972 20 0 BDADLO C[C@H](c1nccc(N)n1)[NH+]1CCC(F)(F)CC1 ZINC000846881913 582669978 /nfs/dbraw/zinc/66/99/78/582669978.db2.gz FCYHQASHQCYMAL-MRVPVSSYSA-N 1 2 242.273 1.851 20 0 BDADLO Cc1cc(NCCO)nc(C2CCC2)[nH+]1 ZINC000891400615 582677962 /nfs/dbraw/zinc/67/79/62/582677962.db2.gz CKODXDHTCHVNAN-UHFFFAOYSA-N 1 2 207.277 1.457 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000891543439 582695678 /nfs/dbraw/zinc/69/56/78/582695678.db2.gz QWLOIEWFLGHVFA-SNVBAGLBSA-N 1 2 223.320 1.432 20 0 BDADLO C[C@@H](N(C)C(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)O ZINC000493113400 534280498 /nfs/dbraw/zinc/28/04/98/534280498.db2.gz GCVGWLOHUFMTSV-VUHVRTRXSA-N 1 2 237.303 1.041 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1Cc1[nH+]cc(C)n1C ZINC000342796845 536171068 /nfs/dbraw/zinc/17/10/68/536171068.db2.gz BOMSVTOMZIVOEF-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1ccoc1CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492804705 534443251 /nfs/dbraw/zinc/44/32/51/534443251.db2.gz XOJMKXSEARJRIR-ARJAWSKDSA-N 1 2 245.282 1.983 20 0 BDADLO COCC[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000892252287 582813834 /nfs/dbraw/zinc/81/38/34/582813834.db2.gz NMIGRCVSYQVNKR-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO O=C(OCCCF)N1CC(n2cc[nH+]c2)C1 ZINC000496540145 534554210 /nfs/dbraw/zinc/55/42/10/534554210.db2.gz PRPLWDHFMOOWCK-UHFFFAOYSA-N 1 2 227.239 1.236 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1CC(F)(F)C1 ZINC000493837512 534786067 /nfs/dbraw/zinc/78/60/67/534786067.db2.gz PLMRMNYXLQHCPS-OWOJBTEDSA-N 1 2 227.214 1.337 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCOC2(CCC2)C1 ZINC000493236210 534787099 /nfs/dbraw/zinc/78/70/99/534787099.db2.gz RPPRUSKLMMQQLZ-NSCUHMNNSA-N 1 2 247.298 1.204 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CF)CC1 ZINC000492959342 534800573 /nfs/dbraw/zinc/80/05/73/534800573.db2.gz MKYOODUQICWCPH-UPHRSURJSA-N 1 2 237.278 1.631 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC=C(F)C1 ZINC000493416704 534800728 /nfs/dbraw/zinc/80/07/28/534800728.db2.gz FGSACUJZZOARKY-ARJAWSKDSA-N 1 2 221.235 1.509 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1F ZINC000492975513 534805414 /nfs/dbraw/zinc/80/54/14/534805414.db2.gz VHVFBXHLEWKUCN-OOMSKYPHSA-N 1 2 223.251 1.430 20 0 BDADLO Cc1csc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492812424 534822748 /nfs/dbraw/zinc/82/27/48/534822748.db2.gz MOEQHWHUTFSMMG-ARJAWSKDSA-N 1 2 248.311 1.851 20 0 BDADLO Cc1nc(C)c(CNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000493566883 534882491 /nfs/dbraw/zinc/88/24/91/534882491.db2.gz YXTYFUPSHMVLBM-ONEGZZNKSA-N 1 2 246.270 1.344 20 0 BDADLO C[N@H+](Cc1cc(C(C)(C)C)on1)C1(CO)CC1 ZINC000352115980 536456553 /nfs/dbraw/zinc/45/65/53/536456553.db2.gz QRXXAQAOAAUQLY-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO C[N@@H+](Cc1cc(C(C)(C)C)on1)C1(CO)CC1 ZINC000352115980 536456555 /nfs/dbraw/zinc/45/65/55/536456555.db2.gz QRXXAQAOAAUQLY-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(=O)NCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494210097 526734085 /nfs/dbraw/zinc/73/40/85/526734085.db2.gz WZANDQQPFNFRFX-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CC(=O)NCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494210097 526734089 /nfs/dbraw/zinc/73/40/89/526734089.db2.gz WZANDQQPFNFRFX-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CC(C)(O)[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862908 527359617 /nfs/dbraw/zinc/35/96/17/527359617.db2.gz LNEGRNYYJFNPDI-MVIFTORASA-N 1 2 249.314 1.185 20 0 BDADLO CCC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493268691 527770482 /nfs/dbraw/zinc/77/04/82/527770482.db2.gz JBZIBHRECZHLNP-SNAWJCMRSA-N 1 2 219.288 1.872 20 0 BDADLO CCN(CC(C)C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488387857 527962636 /nfs/dbraw/zinc/96/26/36/527962636.db2.gz QSPQXJYVDKEQLD-UHFFFAOYSA-N 1 2 237.351 1.728 20 0 BDADLO CCN(CC(C)C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488387857 527962642 /nfs/dbraw/zinc/96/26/42/527962642.db2.gz QSPQXJYVDKEQLD-UHFFFAOYSA-N 1 2 237.351 1.728 20 0 BDADLO CCC(=O)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492560444 528292186 /nfs/dbraw/zinc/29/21/86/528292186.db2.gz CWZFFPXOSGJMOT-AATRIKPKSA-N 1 2 235.287 1.012 20 0 BDADLO CCOC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492967289 528452599 /nfs/dbraw/zinc/45/25/99/528452599.db2.gz YLECHMAJXUZUNF-PLNGDYQASA-N 1 2 235.287 1.060 20 0 BDADLO CCO/C=C/C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000492839836 528485960 /nfs/dbraw/zinc/48/59/60/528485960.db2.gz NSQJOVKROQXWEP-XBXARRHUSA-N 1 2 245.282 1.501 20 0 BDADLO CCO/C=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000492929964 528503697 /nfs/dbraw/zinc/50/36/97/528503697.db2.gz VBYZANKCTANNSW-YHYXMXQVSA-N 1 2 237.303 1.282 20 0 BDADLO CCCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000487927382 528520380 /nfs/dbraw/zinc/52/03/80/528520380.db2.gz FNKUHDPCERXNFN-SNVBAGLBSA-N 1 2 236.319 1.297 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493492860 528648718 /nfs/dbraw/zinc/64/87/18/528648718.db2.gz ZAVJEWRVGIKEQE-WWQCOOJYSA-N 1 2 237.303 1.306 20 0 BDADLO CCOCCN(CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492769398 528715099 /nfs/dbraw/zinc/71/50/99/528715099.db2.gz PSCBWGHFBZDALU-WAYWQWQTSA-N 1 2 237.303 1.308 20 0 BDADLO CCCc1nc(C[NH2+][C@]2(C)CCO[C@H]2C)no1 ZINC000494247672 528751312 /nfs/dbraw/zinc/75/13/12/528751312.db2.gz LTFWJFFPVMLNHU-JOYOIKCWSA-N 1 2 239.319 1.679 20 0 BDADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCC1 ZINC000493231625 528907794 /nfs/dbraw/zinc/90/77/94/528907794.db2.gz YAGFHLOFFUBQRE-VOTSOKGWSA-N 1 2 219.288 1.824 20 0 BDADLO CC[C@@H](O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493152779 529218098 /nfs/dbraw/zinc/21/80/98/529218098.db2.gz LDQWNCGBETVZJY-BRAIEQGRSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)(C)c1cc(C[NH+]2CCC(O)CC2)no1 ZINC000335330525 535105716 /nfs/dbraw/zinc/10/57/16/535105716.db2.gz GXHMCXAHUGIVAZ-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC[N@H+](Cc1nc([C@@H](C)OC)no1)C1CC1 ZINC000175079341 535390868 /nfs/dbraw/zinc/39/08/68/535390868.db2.gz FVNKADUIXBUEGY-MRVPVSSYSA-N 1 2 225.292 1.761 20 0 BDADLO CC[N@@H+](Cc1nc([C@@H](C)OC)no1)C1CC1 ZINC000175079341 535390876 /nfs/dbraw/zinc/39/08/76/535390876.db2.gz FVNKADUIXBUEGY-MRVPVSSYSA-N 1 2 225.292 1.761 20 0 BDADLO CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000336063953 535393004 /nfs/dbraw/zinc/39/30/04/535393004.db2.gz VALDUEFXBMWBHO-SECBINFHSA-N 1 2 235.331 1.774 20 0 BDADLO CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000336063953 535393006 /nfs/dbraw/zinc/39/30/06/535393006.db2.gz VALDUEFXBMWBHO-SECBINFHSA-N 1 2 235.331 1.774 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)CCC(F)(F)F ZINC000342642525 535442362 /nfs/dbraw/zinc/44/23/62/535442362.db2.gz QNYRWCNNZGQRCY-ZETCQYMHSA-N 1 2 227.226 1.822 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCC(F)(F)F ZINC000342642525 535442366 /nfs/dbraw/zinc/44/23/66/535442366.db2.gz QNYRWCNNZGQRCY-ZETCQYMHSA-N 1 2 227.226 1.822 20 0 BDADLO CCCc1nc(C[N@H+](CCO)C2CCC2)no1 ZINC000221143533 535519770 /nfs/dbraw/zinc/51/97/70/535519770.db2.gz KNNOBBGZRYHNFW-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@@H+](CCO)C2CCC2)no1 ZINC000221143533 535519774 /nfs/dbraw/zinc/51/97/74/535519774.db2.gz KNNOBBGZRYHNFW-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+](C)C2CC2)n1 ZINC000076719126 535577448 /nfs/dbraw/zinc/57/74/48/535577448.db2.gz MQYOISJOHKLCSB-MRVPVSSYSA-N 1 2 225.292 1.761 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+](C)C2CC2)n1 ZINC000076719126 535577451 /nfs/dbraw/zinc/57/74/51/535577451.db2.gz MQYOISJOHKLCSB-MRVPVSSYSA-N 1 2 225.292 1.761 20 0 BDADLO CCN1CCN(C(=O)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000336132686 535611459 /nfs/dbraw/zinc/61/14/59/535611459.db2.gz KFFUKVQIBGXSBI-LLVKDONJSA-N 1 2 248.330 1.025 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000261322029 535626970 /nfs/dbraw/zinc/62/69/70/535626970.db2.gz KAYIBYRAXXQTNO-WPRPVWTQSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000261322029 535626973 /nfs/dbraw/zinc/62/69/73/535626973.db2.gz KAYIBYRAXXQTNO-WPRPVWTQSA-N 1 2 203.257 1.372 20 0 BDADLO CCN1CC[N@H+](CC)[C@@H](c2cnn(C)c2)C1 ZINC000335739798 535675104 /nfs/dbraw/zinc/67/51/04/535675104.db2.gz PNBAFUBSUKJCEP-GFCCVEGCSA-N 1 2 222.336 1.119 20 0 BDADLO CCN1CC[N@@H+](CC)[C@@H](c2cnn(C)c2)C1 ZINC000335739798 535675107 /nfs/dbraw/zinc/67/51/07/535675107.db2.gz PNBAFUBSUKJCEP-GFCCVEGCSA-N 1 2 222.336 1.119 20 0 BDADLO CC[C@@H](NC(=O)CCCCOC)c1[nH]cc[nH+]1 ZINC000347980225 535785194 /nfs/dbraw/zinc/78/51/94/535785194.db2.gz GLNTXATXIGLYLK-SNVBAGLBSA-N 1 2 239.319 1.794 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)nn1C ZINC000335620891 535842708 /nfs/dbraw/zinc/84/27/08/535842708.db2.gz FJYWEKWAFFRSDR-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)nn1C ZINC000335620891 535842714 /nfs/dbraw/zinc/84/27/14/535842714.db2.gz FJYWEKWAFFRSDR-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO CCc1cccnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347220104 535984779 /nfs/dbraw/zinc/98/47/79/535984779.db2.gz CGKOTVBTACPZRI-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CC[C@@]1(C)CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342801078 536058121 /nfs/dbraw/zinc/05/81/21/536058121.db2.gz WLXHKKFZVJWWJP-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000176589288 536068500 /nfs/dbraw/zinc/06/85/00/536068500.db2.gz ORDAODYFIJTHGU-CABZTGNLSA-N 1 2 221.304 1.505 20 0 BDADLO COC(=O)C[N@H+](Cc1cnc(N)s1)C(C)C ZINC000261564847 536467587 /nfs/dbraw/zinc/46/75/87/536467587.db2.gz CUGVHKVFOIXGEP-UHFFFAOYSA-N 1 2 243.332 1.109 20 0 BDADLO COC(=O)C[N@@H+](Cc1cnc(N)s1)C(C)C ZINC000261564847 536467588 /nfs/dbraw/zinc/46/75/88/536467588.db2.gz CUGVHKVFOIXGEP-UHFFFAOYSA-N 1 2 243.332 1.109 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347729297 536688435 /nfs/dbraw/zinc/68/84/35/536688435.db2.gz WTBDXBXDOLYGLM-SECBINFHSA-N 1 2 231.246 1.499 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347729297 536688439 /nfs/dbraw/zinc/68/84/39/536688439.db2.gz WTBDXBXDOLYGLM-SECBINFHSA-N 1 2 231.246 1.499 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nnc(C)s2)CC[C@@H]1C ZINC000342722658 536735392 /nfs/dbraw/zinc/73/53/92/536735392.db2.gz OIEUGTIJNCVMIR-WCBMZHEXSA-N 1 2 241.360 1.703 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)s2)CC[C@@H]1C ZINC000342722658 536735397 /nfs/dbraw/zinc/73/53/97/536735397.db2.gz OIEUGTIJNCVMIR-WCBMZHEXSA-N 1 2 241.360 1.703 20 0 BDADLO COCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000335340214 536772145 /nfs/dbraw/zinc/77/21/45/536772145.db2.gz ICGMNOFVQXSVHE-UHFFFAOYSA-N 1 2 233.271 1.467 20 0 BDADLO COCCc1nc(C[N@@H+]2CCC[C@@H]2C)no1 ZINC000351512593 536833898 /nfs/dbraw/zinc/83/38/98/536833898.db2.gz HCHJQTFLEYMOFV-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO COCCc1nc(C[N@H+]2CCC[C@@H]2C)no1 ZINC000351512593 536833901 /nfs/dbraw/zinc/83/39/01/536833901.db2.gz HCHJQTFLEYMOFV-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ncc[nH]1 ZINC000334469126 566397409 /nfs/dbraw/zinc/39/74/09/566397409.db2.gz YXJRYVDNCBOKCU-SCZZXKLOSA-N 1 2 231.303 1.341 20 0 BDADLO Cc1nc(N2CCCCC[C@@H]2CCO)cc[nH+]1 ZINC000343060186 566436261 /nfs/dbraw/zinc/43/62/61/566436261.db2.gz JIHWSUPMHYPXCL-GFCCVEGCSA-N 1 2 235.331 1.916 20 0 BDADLO Cn1c[nH+]c(CCNc2ccc(C(=O)[O-])c[nH+]2)c1 ZINC000313244362 566447821 /nfs/dbraw/zinc/44/78/21/566447821.db2.gz MLSJDWSCJRUQJK-UHFFFAOYSA-N 1 2 246.270 1.168 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1c1cc(N(C)C)[nH+]cn1 ZINC000892899356 583006796 /nfs/dbraw/zinc/00/67/96/583006796.db2.gz KFSKQGUQIAIKNG-NXEZZACHSA-N 1 2 220.320 1.920 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1c1cc(N(C)C)nc[nH+]1 ZINC000892899356 583006797 /nfs/dbraw/zinc/00/67/97/583006797.db2.gz KFSKQGUQIAIKNG-NXEZZACHSA-N 1 2 220.320 1.920 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)CC1CC1)C(=O)OC(C)(C)C ZINC000893210711 583071611 /nfs/dbraw/zinc/07/16/11/583071611.db2.gz OFGLPKCJQPWQQC-KOLCDFICSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H](NC(=S)NC(C)(C)C)c1[nH+]ccn1C ZINC000853045045 588717466 /nfs/dbraw/zinc/71/74/66/588717466.db2.gz QRLHDILJFPAODJ-MRVPVSSYSA-N 1 2 240.376 1.744 20 0 BDADLO CCOC1(C)C[NH+](C[C@@H](O)c2ccccn2)C1 ZINC000853063517 588718531 /nfs/dbraw/zinc/71/85/31/588718531.db2.gz CAOHILZMKHDKRA-GFCCVEGCSA-N 1 2 236.315 1.226 20 0 BDADLO C[C@@H](CNc1cnc(F)cn1)Cn1cc[nH+]c1 ZINC000853188972 588724046 /nfs/dbraw/zinc/72/40/46/588724046.db2.gz JXJLFYWENZWNAM-VIFPVBQESA-N 1 2 235.266 1.560 20 0 BDADLO Cc1nn(C[N@@H+](CC2CC2)C(C)C)c(=O)o1 ZINC000853489510 588745531 /nfs/dbraw/zinc/74/55/31/588745531.db2.gz QQHXBONPQJXJIC-UHFFFAOYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@H+](CC2CC2)C(C)C)c(=O)o1 ZINC000853489510 588745532 /nfs/dbraw/zinc/74/55/32/588745532.db2.gz QQHXBONPQJXJIC-UHFFFAOYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c(=O)o1 ZINC000853505928 588746553 /nfs/dbraw/zinc/74/65/53/588746553.db2.gz CYYIWVFHYCHHCB-SNVBAGLBSA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c(=O)o1 ZINC000853505928 588746554 /nfs/dbraw/zinc/74/65/54/588746554.db2.gz CYYIWVFHYCHHCB-SNVBAGLBSA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(=O)o1 ZINC000853509540 588746591 /nfs/dbraw/zinc/74/65/91/588746591.db2.gz YGHJJNOKIDRTHS-VIFPVBQESA-N 1 2 237.303 1.367 20 0 BDADLO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c(=O)o1 ZINC000853509540 588746592 /nfs/dbraw/zinc/74/65/92/588746592.db2.gz YGHJJNOKIDRTHS-VIFPVBQESA-N 1 2 237.303 1.367 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(=O)o1 ZINC000853514636 588747155 /nfs/dbraw/zinc/74/71/55/588747155.db2.gz FZYRDYQSVJYYBF-LLVKDONJSA-N 1 2 237.303 1.224 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@@H](C3CCC3)C2)c(=O)o1 ZINC000853514636 588747156 /nfs/dbraw/zinc/74/71/56/588747156.db2.gz FZYRDYQSVJYYBF-LLVKDONJSA-N 1 2 237.303 1.224 20 0 BDADLO CCn1cnn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1=S ZINC000853576724 588749463 /nfs/dbraw/zinc/74/94/63/588749463.db2.gz FYEDCCCKAJUKTK-UWVGGRQHSA-N 1 2 238.360 1.733 20 0 BDADLO CCn1cnn(C[N@H+]2CC[C@H]3C[C@H]3C2)c1=S ZINC000853576724 588749464 /nfs/dbraw/zinc/74/94/64/588749464.db2.gz FYEDCCCKAJUKTK-UWVGGRQHSA-N 1 2 238.360 1.733 20 0 BDADLO C[C@H]1c2ccccc2OCC[N@H+]1Cn1cnnc1 ZINC000853632300 588751242 /nfs/dbraw/zinc/75/12/42/588751242.db2.gz UIYJIRJQXITWMX-NSHDSACASA-N 1 2 244.298 1.691 20 0 BDADLO C[C@H]1c2ccccc2OCC[N@@H+]1Cn1cnnc1 ZINC000853632300 588751243 /nfs/dbraw/zinc/75/12/43/588751243.db2.gz UIYJIRJQXITWMX-NSHDSACASA-N 1 2 244.298 1.691 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC1(C)CCC1 ZINC000853674086 588754894 /nfs/dbraw/zinc/75/48/94/588754894.db2.gz QYUKMOZWTJJRMP-MRVPVSSYSA-N 1 2 200.282 1.710 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cc(C)nc(C)n1 ZINC000853674036 588754972 /nfs/dbraw/zinc/75/49/72/588754972.db2.gz PNAJDIDCHSZGOY-MRVPVSSYSA-N 1 2 238.291 1.127 20 0 BDADLO COC(OC)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000853680212 588755463 /nfs/dbraw/zinc/75/54/63/588755463.db2.gz AQBTXVNDEPQXMY-MRVPVSSYSA-N 1 2 211.265 1.204 20 0 BDADLO CC(C)(C)c1nc(NC[C@@H]2COCO2)cc[nH+]1 ZINC000853686700 588756012 /nfs/dbraw/zinc/75/60/12/588756012.db2.gz LMQTUOBKRARJFV-SECBINFHSA-N 1 2 237.303 1.559 20 0 BDADLO Cc1nocc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000853698434 588757662 /nfs/dbraw/zinc/75/76/62/588757662.db2.gz QVXWJDBMRFVOCB-SECBINFHSA-N 1 2 225.248 1.160 20 0 BDADLO COC1(C(N)=[NH+]OCC(C)C)CCOCC1 ZINC000853742983 588760895 /nfs/dbraw/zinc/76/08/95/588760895.db2.gz ZRBBPONJTZXFMK-UHFFFAOYSA-N 1 2 230.308 1.336 20 0 BDADLO COC1(C(N)=[NH+]OCCCCF)CCOCC1 ZINC000853742700 588760910 /nfs/dbraw/zinc/76/09/10/588760910.db2.gz VTBGDLLIUOHCFW-UHFFFAOYSA-N 1 2 248.298 1.430 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(F)F ZINC000853811751 588764645 /nfs/dbraw/zinc/76/46/45/588764645.db2.gz LNHTWLAGZROLPP-UHFFFAOYSA-N 1 2 203.192 1.023 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(F)F ZINC000853811751 588764646 /nfs/dbraw/zinc/76/46/46/588764646.db2.gz LNHTWLAGZROLPP-UHFFFAOYSA-N 1 2 203.192 1.023 20 0 BDADLO CC(C)c1nc(N2CCC(=O)N(C)CC2)cc[nH+]1 ZINC000853869120 588766848 /nfs/dbraw/zinc/76/68/48/588766848.db2.gz KKLFVQPEDNSUEZ-UHFFFAOYSA-N 1 2 248.330 1.269 20 0 BDADLO Nc1[nH+]cccc1CONC(=O)C1CCC1 ZINC000853721726 588759443 /nfs/dbraw/zinc/75/94/43/588759443.db2.gz BBIWOMMSOUCIKS-UHFFFAOYSA-N 1 2 221.260 1.012 20 0 BDADLO CC1(C)COCN1C(=O)c1cccc2[nH+]ccn21 ZINC000854326318 588784000 /nfs/dbraw/zinc/78/40/00/588784000.db2.gz DARJESFDGYLVLD-UHFFFAOYSA-N 1 2 245.282 1.543 20 0 BDADLO CCC(CC)(CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854373857 588785190 /nfs/dbraw/zinc/78/51/90/588785190.db2.gz ONJSQJRWSKMSRJ-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCCN1 ZINC000854428040 588786727 /nfs/dbraw/zinc/78/67/27/588786727.db2.gz OEMGCJGVCWHWGC-UHFFFAOYSA-N 1 2 230.271 1.075 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]1C(F)(F)F ZINC000854519045 588790394 /nfs/dbraw/zinc/79/03/94/588790394.db2.gz XMKIXLCXTJAYER-LURJTMIESA-N 1 2 233.193 1.115 20 0 BDADLO CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345123 588794874 /nfs/dbraw/zinc/79/48/74/588794874.db2.gz YICXPPSOSVOELV-JTQLQIEISA-N 1 2 209.293 1.434 20 0 BDADLO Cc1ncoc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000854586933 588795986 /nfs/dbraw/zinc/79/59/86/588795986.db2.gz XMIABOJQKVWZMK-SECBINFHSA-N 1 2 248.286 1.447 20 0 BDADLO C[C@@H](NC(=O)/C=C\C1CCOCC1)c1[nH]cc[nH+]1 ZINC000854594878 588796349 /nfs/dbraw/zinc/79/63/49/588796349.db2.gz QUXDLEYUQGXBNY-MXQLGCADSA-N 1 2 249.314 1.570 20 0 BDADLO C[C@@H](NC(=O)C=CC1CCOCC1)c1[nH]cc[nH+]1 ZINC000854594878 588796350 /nfs/dbraw/zinc/79/63/50/588796350.db2.gz QUXDLEYUQGXBNY-MXQLGCADSA-N 1 2 249.314 1.570 20 0 BDADLO C[C@@H](NC(=O)C=C1CCC1)c1[nH]cc[nH+]1 ZINC000854594605 588796407 /nfs/dbraw/zinc/79/64/07/588796407.db2.gz NXZFQBOVDHTOAQ-MRVPVSSYSA-N 1 2 205.261 1.697 20 0 BDADLO C[C@@H](NC(=O)/C=C\[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594221 588796416 /nfs/dbraw/zinc/79/64/16/588796416.db2.gz HMWVVNVDPPZOKO-JAFKPYBISA-N 1 2 235.287 1.180 20 0 BDADLO C[C@@H](NC(=O)C=C[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594221 588796417 /nfs/dbraw/zinc/79/64/17/588796417.db2.gz HMWVVNVDPPZOKO-JAFKPYBISA-N 1 2 235.287 1.180 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCc1c[nH+]cn1C ZINC000854498632 588789664 /nfs/dbraw/zinc/78/96/64/588789664.db2.gz IFCXKFHZVSTAEG-LBPRGKRZSA-N 1 2 241.310 1.955 20 0 BDADLO CCC(F)(F)C(=O)NCc1c[nH+]ccc1OC ZINC000854633459 588798230 /nfs/dbraw/zinc/79/82/30/588798230.db2.gz RYTOIKLAYMWMSF-UHFFFAOYSA-N 1 2 244.241 1.752 20 0 BDADLO CC1(C)CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854669208 588800252 /nfs/dbraw/zinc/80/02/52/588800252.db2.gz GXMJYLZMJXOXIE-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854684943 588801233 /nfs/dbraw/zinc/80/12/33/588801233.db2.gz GXYCRIWOVQWDBE-NXEZZACHSA-N 1 2 233.315 1.880 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854684946 588801335 /nfs/dbraw/zinc/80/13/35/588801335.db2.gz GXYCRIWOVQWDBE-VHSXEESVSA-N 1 2 233.315 1.880 20 0 BDADLO CC[C@@H]1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854751166 588805302 /nfs/dbraw/zinc/80/53/02/588805302.db2.gz ZFLQAHAOTPMOFN-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO CSC(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000854905874 588816387 /nfs/dbraw/zinc/81/63/87/588816387.db2.gz HLIGFERNPAZXSZ-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000854931454 588817012 /nfs/dbraw/zinc/81/70/12/588817012.db2.gz IRBFWQICCNEQJV-RYUDHWBXSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000854955498 588818724 /nfs/dbraw/zinc/81/87/24/588818724.db2.gz YVKHWOHEPQSYFS-OPRDCNLKSA-N 1 2 221.304 1.455 20 0 BDADLO CC[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000854960243 588818971 /nfs/dbraw/zinc/81/89/71/588818971.db2.gz AIAOPLAMJMRNPR-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C2(CCC2)CO1 ZINC000855024576 588820804 /nfs/dbraw/zinc/82/08/04/588820804.db2.gz RLPLFJRMLRJGEN-SNVBAGLBSA-N 1 2 249.314 1.122 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1(O)CCCC1 ZINC000855134732 588822748 /nfs/dbraw/zinc/82/27/48/588822748.db2.gz YGCNSYVLYCMSSZ-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1(O)CCCC1 ZINC000855134732 588822749 /nfs/dbraw/zinc/82/27/49/588822749.db2.gz YGCNSYVLYCMSSZ-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\C1CC1 ZINC000855134386 588822871 /nfs/dbraw/zinc/82/28/71/588822871.db2.gz MLHFBEKLTIMEJO-PLNGDYQASA-N 1 2 205.261 1.334 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\C1CC1 ZINC000855134386 588822872 /nfs/dbraw/zinc/82/28/72/588822872.db2.gz MLHFBEKLTIMEJO-PLNGDYQASA-N 1 2 205.261 1.334 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000855134132 588822980 /nfs/dbraw/zinc/82/29/80/588822980.db2.gz FRCJHSXLPTWWDF-ZETCQYMHSA-N 1 2 248.113 1.562 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000855134132 588822981 /nfs/dbraw/zinc/82/29/81/588822981.db2.gz FRCJHSXLPTWWDF-ZETCQYMHSA-N 1 2 248.113 1.562 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NOC1CCCC1 ZINC000807192872 582489992 /nfs/dbraw/zinc/48/99/92/582489992.db2.gz MTZJZNDNXBECQB-UHFFFAOYSA-N 1 2 223.276 1.333 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C=CCC1 ZINC000855425977 588833683 /nfs/dbraw/zinc/83/36/83/588833683.db2.gz QBPNSNLVYDCBHI-SNVBAGLBSA-N 1 2 205.261 1.108 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000855426341 588833697 /nfs/dbraw/zinc/83/36/97/588833697.db2.gz DPSJNNHHGCXOBD-GHMZBOCLSA-N 1 2 231.299 1.280 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000890765921 582542717 /nfs/dbraw/zinc/54/27/17/582542717.db2.gz UVAIWHFEKKIVSA-VXGBXAGGSA-N 1 2 245.326 1.964 20 0 BDADLO CCCONC(=O)c1cccc2[nH+]ccn21 ZINC000844085618 582569573 /nfs/dbraw/zinc/56/95/73/582569573.db2.gz HJZUSJKXGDHZKX-UHFFFAOYSA-N 1 2 219.244 1.406 20 0 BDADLO C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CC1(F)F ZINC000855796476 588848643 /nfs/dbraw/zinc/84/86/43/588848643.db2.gz TYGZSDZRXNOFCE-VIFPVBQESA-N 1 2 229.230 1.114 20 0 BDADLO OCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000891400562 582678006 /nfs/dbraw/zinc/67/80/06/582678006.db2.gz BWOVULAFRWSREW-UHFFFAOYSA-N 1 2 219.288 1.636 20 0 BDADLO CCCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000891405523 582678980 /nfs/dbraw/zinc/67/89/80/582678980.db2.gz DNHZDWLSDVXTAJ-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000891405523 582678982 /nfs/dbraw/zinc/67/89/82/582678982.db2.gz DNHZDWLSDVXTAJ-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1COC2(CCC2)C1 ZINC000855658915 588844054 /nfs/dbraw/zinc/84/40/54/588844054.db2.gz QBYVPVWOAPEBTO-SNVBAGLBSA-N 1 2 249.314 1.088 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1COC2(CCC2)C1 ZINC000855658915 588844055 /nfs/dbraw/zinc/84/40/55/588844055.db2.gz QBYVPVWOAPEBTO-SNVBAGLBSA-N 1 2 249.314 1.088 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000891543439 582695675 /nfs/dbraw/zinc/69/56/75/582695675.db2.gz QWLOIEWFLGHVFA-SNVBAGLBSA-N 1 2 223.320 1.432 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000891543601 582695536 /nfs/dbraw/zinc/69/55/36/582695536.db2.gz UBOOIWBVTUZFDY-JTQLQIEISA-N 1 2 221.304 1.439 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000891558241 582697106 /nfs/dbraw/zinc/69/71/06/582697106.db2.gz BZAIHJUFEDOTMF-GRYCIOLGSA-N 1 2 248.330 1.371 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cnc(F)cc1C ZINC000891612053 582701492 /nfs/dbraw/zinc/70/14/92/582701492.db2.gz JFMNXYOMBPSHQR-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cnc(F)cc1C ZINC000891612053 582701493 /nfs/dbraw/zinc/70/14/93/582701493.db2.gz JFMNXYOMBPSHQR-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2C2CC2)[C@H](C)CO1 ZINC000891671634 582708219 /nfs/dbraw/zinc/70/82/19/582708219.db2.gz QIZZAQYTJVIRKA-GHMZBOCLSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)[C@H](C)CO1 ZINC000891671634 582708220 /nfs/dbraw/zinc/70/82/20/582708220.db2.gz QIZZAQYTJVIRKA-GHMZBOCLSA-N 1 2 249.358 1.907 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(C)n1 ZINC000891672099 582708367 /nfs/dbraw/zinc/70/83/67/582708367.db2.gz UIARJBGCNNCGNS-GHMZBOCLSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(C)n1 ZINC000891672099 582708370 /nfs/dbraw/zinc/70/83/70/582708370.db2.gz UIARJBGCNNCGNS-GHMZBOCLSA-N 1 2 237.347 1.821 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC(C)(C)C2)c(C2CC2)n1 ZINC000891705807 582711443 /nfs/dbraw/zinc/71/14/43/582711443.db2.gz HSYLKGQRRNCCJY-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO Cn1cc(C[N@H+]2CCOC(C)(C)C2)c(C2CC2)n1 ZINC000891705807 582711445 /nfs/dbraw/zinc/71/14/45/582711445.db2.gz HSYLKGQRRNCCJY-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1cnc2n1CCOC2 ZINC000891780546 582720450 /nfs/dbraw/zinc/72/04/50/582720450.db2.gz YKSUMBCJTQQTON-UHFFFAOYSA-N 1 2 247.298 1.638 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1cnc2n1CCOC2 ZINC000891780546 582720452 /nfs/dbraw/zinc/72/04/52/582720452.db2.gz YKSUMBCJTQQTON-UHFFFAOYSA-N 1 2 247.298 1.638 20 0 BDADLO O=c1cc(C[N@@H+]2CCC[C@H]2c2ncon2)cc[nH]1 ZINC000891876256 582733636 /nfs/dbraw/zinc/73/36/36/582733636.db2.gz HCYTXOSFGITRKP-JTQLQIEISA-N 1 2 246.270 1.507 20 0 BDADLO O=c1cc(C[N@H+]2CCC[C@H]2c2ncon2)cc[nH]1 ZINC000891876256 582733639 /nfs/dbraw/zinc/73/36/39/582733639.db2.gz HCYTXOSFGITRKP-JTQLQIEISA-N 1 2 246.270 1.507 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccoc2)nc[nH+]1 ZINC000891955458 582745742 /nfs/dbraw/zinc/74/57/42/582745742.db2.gz KYSRKHSADKOLDK-UHFFFAOYSA-N 1 2 232.287 1.772 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccoc2)[nH+]cn1 ZINC000891955458 582745743 /nfs/dbraw/zinc/74/57/43/582745743.db2.gz KYSRKHSADKOLDK-UHFFFAOYSA-N 1 2 232.287 1.772 20 0 BDADLO C[C@@]1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1(F)F ZINC000855806815 588849271 /nfs/dbraw/zinc/84/92/71/588849271.db2.gz OBUGYQQBLXGSQF-SNVBAGLBSA-N 1 2 243.257 1.504 20 0 BDADLO Cn1ncc(C[N@H+](C)Cc2cc[nH]n2)c1C1CC1 ZINC000892011522 582761027 /nfs/dbraw/zinc/76/10/27/582761027.db2.gz AKTAVBAYGYVZLG-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1ncc(C[N@@H+](C)Cc2cc[nH]n2)c1C1CC1 ZINC000892011522 582761030 /nfs/dbraw/zinc/76/10/30/582761030.db2.gz AKTAVBAYGYVZLG-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO OCCC[N@H+](Cc1nccn1C1CC1)C1CC1 ZINC000892035248 582768019 /nfs/dbraw/zinc/76/80/19/582768019.db2.gz CAVJCFOILCBWBB-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO OCCC[N@@H+](Cc1nccn1C1CC1)C1CC1 ZINC000892035248 582768021 /nfs/dbraw/zinc/76/80/21/582768021.db2.gz CAVJCFOILCBWBB-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cn[nH]c2)c(C2CC2)n1 ZINC000892050406 582775730 /nfs/dbraw/zinc/77/57/30/582775730.db2.gz UGRSHQWMWWVQQM-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cn[nH]c2)c(C2CC2)n1 ZINC000892050406 582775733 /nfs/dbraw/zinc/77/57/33/582775733.db2.gz UGRSHQWMWWVQQM-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO CN(C)c1cc(NCCc2nccs2)[nH+]cn1 ZINC000892152845 582801952 /nfs/dbraw/zinc/80/19/52/582801952.db2.gz LEKZARFTGOZCHW-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO CN(C)c1cc(NCCc2nccs2)nc[nH+]1 ZINC000892152845 582801954 /nfs/dbraw/zinc/80/19/54/582801954.db2.gz LEKZARFTGOZCHW-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO COCC[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000892252287 582813833 /nfs/dbraw/zinc/81/38/33/582813833.db2.gz NMIGRCVSYQVNKR-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC1)c1[nH+]ccn1C ZINC000661112368 582827811 /nfs/dbraw/zinc/82/78/11/582827811.db2.gz MVLNBDGEHUVQMU-INTQDDNPSA-N 1 2 248.330 1.579 20 0 BDADLO CNc1cc(N[C@@H](C)c2cn(C)nc2C)nc[nH+]1 ZINC000892303975 582832886 /nfs/dbraw/zinc/83/28/86/582832886.db2.gz QRMMGTWNFXXLMI-QMMMGPOBSA-N 1 2 246.318 1.733 20 0 BDADLO CNc1cc(N[C@@H](C)c2cn(C)nc2C)[nH+]cn1 ZINC000892303975 582832888 /nfs/dbraw/zinc/83/28/88/582832888.db2.gz QRMMGTWNFXXLMI-QMMMGPOBSA-N 1 2 246.318 1.733 20 0 BDADLO Cc1ncsc1CNc1cc(N(C)C)nc[nH+]1 ZINC000892332792 582858010 /nfs/dbraw/zinc/85/80/10/582858010.db2.gz BWSOMQZHQIUPKF-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1ncsc1CNc1cc(N(C)C)[nH+]cn1 ZINC000892332792 582858011 /nfs/dbraw/zinc/85/80/11/582858011.db2.gz BWSOMQZHQIUPKF-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cn1nc(C[NH2+]Cc2ccon2)c2ccccc21 ZINC000093305876 582875850 /nfs/dbraw/zinc/87/58/50/582875850.db2.gz OTRFLRDQOFGTAN-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CCC[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892503172 582899825 /nfs/dbraw/zinc/89/98/25/582899825.db2.gz YFSKMBPENSGVKQ-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CCC[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892503172 582899827 /nfs/dbraw/zinc/89/98/27/582899827.db2.gz YFSKMBPENSGVKQ-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CCc1cc(CNc2cc(NC)[nH+]cn2)[nH]n1 ZINC000892504800 582901016 /nfs/dbraw/zinc/90/10/16/582901016.db2.gz BTAVOGMKEJQIFJ-UHFFFAOYSA-N 1 2 232.291 1.416 20 0 BDADLO CCc1cc(CNc2cc(NC)nc[nH+]2)[nH]n1 ZINC000892504800 582901018 /nfs/dbraw/zinc/90/10/18/582901018.db2.gz BTAVOGMKEJQIFJ-UHFFFAOYSA-N 1 2 232.291 1.416 20 0 BDADLO CCN(CC(C)(C)O)c1nccn2c[nH+]cc12 ZINC000892530995 582907030 /nfs/dbraw/zinc/90/70/30/582907030.db2.gz FVXWEMROAYYTQO-UHFFFAOYSA-N 1 2 234.303 1.327 20 0 BDADLO CC[C@@H](COC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892623378 582932514 /nfs/dbraw/zinc/93/25/14/582932514.db2.gz WFWXCRYVVKTICN-ZJUUUORDSA-N 1 2 224.304 1.972 20 0 BDADLO CC(C)[C@@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892641477 582935786 /nfs/dbraw/zinc/93/57/86/582935786.db2.gz CANBBJZQIXAYOB-KOLCDFICSA-N 1 2 224.304 1.564 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](CCO)C2CC2)[nH+]1 ZINC000892658323 582942591 /nfs/dbraw/zinc/94/25/91/582942591.db2.gz UJZCHJNPYBPHBW-SKDRFNHKSA-N 1 2 236.315 1.708 20 0 BDADLO COc1ccc(NCc2c(C)cnn2C)[nH+]c1 ZINC000394048953 582948665 /nfs/dbraw/zinc/94/86/65/582948665.db2.gz LDHUQIMPLNEJLV-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1C ZINC000892737507 582972301 /nfs/dbraw/zinc/97/23/01/582972301.db2.gz DLCUZMXSWHTSRP-AOOOYVTPSA-N 1 2 216.288 1.822 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281251 588866822 /nfs/dbraw/zinc/86/68/22/588866822.db2.gz NGDPQFXCBGDFBZ-JRZFIGEHSA-N 1 2 221.304 1.954 20 0 BDADLO COC/C(C)=C\C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279866 588866903 /nfs/dbraw/zinc/86/69/03/588866903.db2.gz KZNXIHUWAJMJLS-RNKPRXRFSA-N 1 2 237.303 1.190 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856280940 588866920 /nfs/dbraw/zinc/86/69/20/588866920.db2.gz KGLOPUPXUQKVPR-HSTULFTRSA-N 1 2 221.304 1.954 20 0 BDADLO CNc1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)nc[nH+]1 ZINC000892950036 583016785 /nfs/dbraw/zinc/01/67/85/583016785.db2.gz KNXJBJVAMSVNPB-GHMZBOCLSA-N 1 2 248.330 1.381 20 0 BDADLO CNc1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)[nH+]cn1 ZINC000892950036 583016787 /nfs/dbraw/zinc/01/67/87/583016787.db2.gz KNXJBJVAMSVNPB-GHMZBOCLSA-N 1 2 248.330 1.381 20 0 BDADLO C[C@H](O)c1cccc(N2CCOC3(CCC3)C2)[nH+]1 ZINC000893056041 583039298 /nfs/dbraw/zinc/03/92/98/583039298.db2.gz QCXNAPWNBCYUEY-NSHDSACASA-N 1 2 248.326 1.894 20 0 BDADLO c1[nH+]cn2ccnc(N3CC=CCC3)c12 ZINC000893103960 583050581 /nfs/dbraw/zinc/05/05/81/583050581.db2.gz WNPGXAYDUWKUCU-UHFFFAOYSA-N 1 2 200.245 1.496 20 0 BDADLO C[C@H](O)c1cccc(NCC[C@H]2CCOC2)[nH+]1 ZINC000893144636 583056898 /nfs/dbraw/zinc/05/68/98/583056898.db2.gz RYTAGDYQDJIJRJ-QWRGUYRKSA-N 1 2 236.315 1.973 20 0 BDADLO CCn1cc(C[NH2+]Cc2cccc(F)n2)nn1 ZINC000893202373 583070505 /nfs/dbraw/zinc/07/05/05/583070505.db2.gz HCSBSRUVUPUUAZ-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO C[C@H](O)c1cccc(NCC(F)(F)CO)[nH+]1 ZINC000893214623 583072698 /nfs/dbraw/zinc/07/26/98/583072698.db2.gz XQPXMWAAIZSNFD-ZETCQYMHSA-N 1 2 232.230 1.174 20 0 BDADLO COCC[N@H+](CCF)Cc1ccnc(C)c1 ZINC000856757210 588875966 /nfs/dbraw/zinc/87/59/66/588875966.db2.gz LPVTUBMQILPVRQ-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccnc(C)c1 ZINC000856757210 588875967 /nfs/dbraw/zinc/87/59/67/588875967.db2.gz LPVTUBMQILPVRQ-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO CN(C)c1cc(NCC2(CCO)CC2)[nH+]cn1 ZINC000893282918 583084775 /nfs/dbraw/zinc/08/47/75/583084775.db2.gz OTTBZDKPRIIOOG-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CN(C)c1cc(NCC2(CCO)CC2)nc[nH+]1 ZINC000893282918 583084778 /nfs/dbraw/zinc/08/47/78/583084778.db2.gz OTTBZDKPRIIOOG-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO Cn1cc(C[NH2+]Cc2cocn2)c(C(C)(C)C)n1 ZINC000397936636 583113003 /nfs/dbraw/zinc/11/30/03/583113003.db2.gz SCERUCZHBPKDIG-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)no2)nc1 ZINC000893344199 583114857 /nfs/dbraw/zinc/11/48/57/583114857.db2.gz NKSLWKBTJSQBRE-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C[C@@H](O)c1cccc(NCCOCC(F)F)[nH+]1 ZINC000893424923 583141736 /nfs/dbraw/zinc/14/17/36/583141736.db2.gz GGWZSOVOAFVOEZ-MRVPVSSYSA-N 1 2 246.257 1.829 20 0 BDADLO C[C@H]1COC(C)(C)CN1c1nccn2c[nH+]cc12 ZINC000893471319 583149956 /nfs/dbraw/zinc/14/99/56/583149956.db2.gz BRVYLTZTBZFMAY-JTQLQIEISA-N 1 2 246.314 1.733 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893499628 583154109 /nfs/dbraw/zinc/15/41/09/583154109.db2.gz CPBPUTRIDVZYRL-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893499628 583154110 /nfs/dbraw/zinc/15/41/10/583154110.db2.gz CPBPUTRIDVZYRL-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)[C@@H]1CC1(F)F ZINC000893527705 583157927 /nfs/dbraw/zinc/15/79/27/583157927.db2.gz GDMKNUKDXKCDME-JGVFFNPUSA-N 1 2 242.225 1.835 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccno2)c(Cl)n1 ZINC000857040392 588883636 /nfs/dbraw/zinc/88/36/36/588883636.db2.gz YFHPHOUIASIOHI-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO Cn1cc(C[NH+]2CC3(C2)CCOC3)c(Cl)n1 ZINC000857047725 588883991 /nfs/dbraw/zinc/88/39/91/588883991.db2.gz FPYVWZFNKJGSGL-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO Cn1ncc(C[NH+]2CC(Cc3ccsc3)C2)n1 ZINC000857067865 588885613 /nfs/dbraw/zinc/88/56/13/588885613.db2.gz HETKXTIUHDSQRP-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO CN(C)c1cc(NCCC(C)(F)F)[nH+]cn1 ZINC000894008393 583270000 /nfs/dbraw/zinc/27/00/00/583270000.db2.gz YTFICWQEVZZBNK-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO CN(C)c1cc(NCCC(C)(F)F)nc[nH+]1 ZINC000894008393 583270003 /nfs/dbraw/zinc/27/00/03/583270003.db2.gz YTFICWQEVZZBNK-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO CCc1cc(N(C)[C@@H](CC)CO)nc(CC)[nH+]1 ZINC000894016426 583276196 /nfs/dbraw/zinc/27/61/96/583276196.db2.gz RMSLLORVNHHHEO-NSHDSACASA-N 1 2 237.347 1.809 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2CCC2(C)C)s1 ZINC000894032475 583276601 /nfs/dbraw/zinc/27/66/01/583276601.db2.gz JZWCRNUPFCBFRY-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2CCC2(C)C)s1 ZINC000894032475 583276604 /nfs/dbraw/zinc/27/66/04/583276604.db2.gz JZWCRNUPFCBFRY-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO C[C@H](O)c1cccc(NCC2=CCOCC2)[nH+]1 ZINC000894026724 583281117 /nfs/dbraw/zinc/28/11/17/583281117.db2.gz COIAGADMLUGOAO-JTQLQIEISA-N 1 2 234.299 1.894 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000894039859 583283886 /nfs/dbraw/zinc/28/38/86/583283886.db2.gz NBBQHCYYVOVELA-USBNGQNGSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000894039859 583283888 /nfs/dbraw/zinc/28/38/88/583283888.db2.gz NBBQHCYYVOVELA-USBNGQNGSA-N 1 2 241.356 1.929 20 0 BDADLO CCn1cc(CN(C)Cc2[nH]cc[nH+]2)c(C)n1 ZINC000894089188 583298929 /nfs/dbraw/zinc/29/89/29/583298929.db2.gz CXUSMBNGTNHLEB-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)cnc1F ZINC000894091052 583299897 /nfs/dbraw/zinc/29/98/97/583299897.db2.gz PKKKPEQYPXNQCY-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO CSc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000894093334 583300163 /nfs/dbraw/zinc/30/01/63/583300163.db2.gz DFVOXGUWPFBGHN-SECBINFHSA-N 1 2 240.328 1.322 20 0 BDADLO CSc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000894093334 583300166 /nfs/dbraw/zinc/30/01/66/583300166.db2.gz DFVOXGUWPFBGHN-SECBINFHSA-N 1 2 240.328 1.322 20 0 BDADLO CC[C@H](Nc1cccc([C@@H](C)O)[nH+]1)C(=O)NC ZINC000894128191 583312291 /nfs/dbraw/zinc/31/22/91/583312291.db2.gz QMYFIUMQBDCKKO-BDAKNGLRSA-N 1 2 237.303 1.071 20 0 BDADLO CC(C)Oc1ccc(C[NH2+]Cc2c[nH]cn2)cn1 ZINC000894185092 583332481 /nfs/dbraw/zinc/33/24/81/583332481.db2.gz HNQOUJKXJZWRMF-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC1([NH2+]Cc2cccnc2Cl)COC1 ZINC000877691298 583342432 /nfs/dbraw/zinc/34/24/32/583342432.db2.gz MFBKVXIMJBYVLU-UHFFFAOYSA-N 1 2 212.680 1.614 20 0 BDADLO S=C(NC1CCC1)N1CCn2c[nH+]cc2C1 ZINC000814204386 583347166 /nfs/dbraw/zinc/34/71/66/583347166.db2.gz BVTVYOFILMBKIA-UHFFFAOYSA-N 1 2 236.344 1.126 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2CCC2=O)C1 ZINC000857237965 588900884 /nfs/dbraw/zinc/90/08/84/588900884.db2.gz YIVCKSSLEPNIIH-SNVBAGLBSA-N 1 2 200.257 1.000 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2CCC2=O)C1 ZINC000857237965 588900886 /nfs/dbraw/zinc/90/08/86/588900886.db2.gz YIVCKSSLEPNIIH-SNVBAGLBSA-N 1 2 200.257 1.000 20 0 BDADLO C(c1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1)C1CC1 ZINC000878317220 583369386 /nfs/dbraw/zinc/36/93/86/583369386.db2.gz OLKSGMUYAACFPV-VHSXEESVSA-N 1 2 219.288 1.616 20 0 BDADLO C(c1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1)C1CC1 ZINC000878317220 583369389 /nfs/dbraw/zinc/36/93/89/583369389.db2.gz OLKSGMUYAACFPV-VHSXEESVSA-N 1 2 219.288 1.616 20 0 BDADLO C[C@@H](c1ccccc1F)[N@@H+]1CCCNC(=O)C1 ZINC000726790133 583374396 /nfs/dbraw/zinc/37/43/96/583374396.db2.gz AANVMTVEHFOVKR-JTQLQIEISA-N 1 2 236.290 1.709 20 0 BDADLO C[C@@H](c1ccccc1F)[N@H+]1CCCNC(=O)C1 ZINC000726790133 583374398 /nfs/dbraw/zinc/37/43/98/583374398.db2.gz AANVMTVEHFOVKR-JTQLQIEISA-N 1 2 236.290 1.709 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c(c2)COC3)c[nH]1 ZINC000894345314 583430592 /nfs/dbraw/zinc/43/05/92/583430592.db2.gz GSJACXIBNYANEY-UHFFFAOYSA-N 1 2 229.283 1.730 20 0 BDADLO c1csc(NC2CC([NH+]3CCOCC3)C2)n1 ZINC000894356873 583435771 /nfs/dbraw/zinc/43/57/71/583435771.db2.gz OMJNOLWBQURELM-UHFFFAOYSA-N 1 2 239.344 1.418 20 0 BDADLO CN(C)c1ccccc1C[NH2+]Cc1c[nH]cn1 ZINC000894392307 583446537 /nfs/dbraw/zinc/44/65/37/583446537.db2.gz IVSLDVJJIVARPE-UHFFFAOYSA-N 1 2 230.315 1.766 20 0 BDADLO CNc1cc(N[C@@H](C)COCC2CC2)nc[nH+]1 ZINC000894397606 583448401 /nfs/dbraw/zinc/44/84/01/583448401.db2.gz OHSIGEYONCCDPR-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO CNc1cc(N[C@@H](C)COCC2CC2)[nH+]cn1 ZINC000894397606 583448402 /nfs/dbraw/zinc/44/84/02/583448402.db2.gz OHSIGEYONCCDPR-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCC2=O)[C@@H](CC)CO1 ZINC000857235826 588899596 /nfs/dbraw/zinc/89/95/96/588899596.db2.gz AWFRBHHVDADGPN-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCC2=O)[C@@H](CC)CO1 ZINC000857235826 588899598 /nfs/dbraw/zinc/89/95/98/588899598.db2.gz AWFRBHHVDADGPN-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000894424394 583455969 /nfs/dbraw/zinc/45/59/69/583455969.db2.gz DBYWIHJAOREJSZ-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO Cc1ncoc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000894424394 583455970 /nfs/dbraw/zinc/45/59/70/583455970.db2.gz DBYWIHJAOREJSZ-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nccn1C1CC1 ZINC000894434143 583458844 /nfs/dbraw/zinc/45/88/44/583458844.db2.gz AKFNELWZBGMEJL-SNVBAGLBSA-N 1 2 223.320 1.685 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nccn1C1CC1 ZINC000894434143 583458846 /nfs/dbraw/zinc/45/88/46/583458846.db2.gz AKFNELWZBGMEJL-SNVBAGLBSA-N 1 2 223.320 1.685 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000894488116 583471162 /nfs/dbraw/zinc/47/11/62/583471162.db2.gz SYFNGIXRTFWVAL-QWRGUYRKSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000894488116 583471164 /nfs/dbraw/zinc/47/11/64/583471164.db2.gz SYFNGIXRTFWVAL-QWRGUYRKSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1coc(C[N@@H+]2CCN(CCO)[C@@H](C)C2)c1 ZINC000894502702 583473596 /nfs/dbraw/zinc/47/35/96/583473596.db2.gz FIUFSHLPLVOOMD-LBPRGKRZSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1coc(C[N@H+]2CCN(CCO)[C@@H](C)C2)c1 ZINC000894502702 583473598 /nfs/dbraw/zinc/47/35/98/583473598.db2.gz FIUFSHLPLVOOMD-LBPRGKRZSA-N 1 2 238.331 1.086 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCC2(F)F)[C@H]1OC ZINC000894514375 583475928 /nfs/dbraw/zinc/47/59/28/583475928.db2.gz ZRMHKUDXMUDPMN-CHWFTXMASA-N 1 2 249.301 1.956 20 0 BDADLO Cc1coc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c1 ZINC000894551691 583482492 /nfs/dbraw/zinc/48/24/92/583482492.db2.gz OAHMNOCQEFQBAF-QWRGUYRKSA-N 1 2 241.356 1.929 20 0 BDADLO CN(C)c1cc(N(C)CC2=CCCOC2)nc[nH+]1 ZINC000894551359 583482859 /nfs/dbraw/zinc/48/28/59/583482859.db2.gz RNEJRIZHBGEBBS-UHFFFAOYSA-N 1 2 248.330 1.326 20 0 BDADLO CN(C)c1cc(N(C)CC2=CCCOC2)[nH+]cn1 ZINC000894551359 583482861 /nfs/dbraw/zinc/48/28/61/583482861.db2.gz RNEJRIZHBGEBBS-UHFFFAOYSA-N 1 2 248.330 1.326 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000894566084 583484203 /nfs/dbraw/zinc/48/42/03/583484203.db2.gz JUEUPHQXSMQNIB-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000894566084 583484205 /nfs/dbraw/zinc/48/42/05/583484205.db2.gz JUEUPHQXSMQNIB-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@H](C)O1 ZINC000894576807 583487342 /nfs/dbraw/zinc/48/73/42/583487342.db2.gz HUHCSTGHJITZLH-MNOVXSKESA-N 1 2 246.314 1.733 20 0 BDADLO CCc1ncc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000894587212 583490078 /nfs/dbraw/zinc/49/00/78/583490078.db2.gz VASIPJPAYUCFJD-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO CN(Cc1cn(C)nc1Cl)Cc1[nH]cc[nH+]1 ZINC000894587120 583490357 /nfs/dbraw/zinc/49/03/57/583490357.db2.gz QJVKAWDBXMRQHP-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1cn(CC)nn1 ZINC000894612952 583494481 /nfs/dbraw/zinc/49/44/81/583494481.db2.gz AUNRZCJQQXAUEU-UHFFFAOYSA-N 1 2 249.318 1.447 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)CCc1ccccc1 ZINC000857335607 588906631 /nfs/dbraw/zinc/90/66/31/588906631.db2.gz XHJMXVWLLNIHMN-LLVKDONJSA-N 1 2 236.315 1.275 20 0 BDADLO C[C@H](O)c1cccc(NCCOCCF)[nH+]1 ZINC000894648547 583500492 /nfs/dbraw/zinc/50/04/92/583500492.db2.gz GWMHWEJWROOBAX-VIFPVBQESA-N 1 2 228.267 1.533 20 0 BDADLO CC12CC(C1)CN2c1nccn2c[nH+]cc12 ZINC000894657209 583501226 /nfs/dbraw/zinc/50/12/26/583501226.db2.gz KIBPCVBWROOARN-UHFFFAOYSA-N 1 2 214.272 1.718 20 0 BDADLO F[C@H]1CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894670758 583503374 /nfs/dbraw/zinc/50/33/74/583503374.db2.gz MBEAMRXUZOULHI-VIFPVBQESA-N 1 2 209.268 1.762 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000894667948 583503460 /nfs/dbraw/zinc/50/34/60/583503460.db2.gz PFGQLQMZNPZJEU-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000894667948 583503461 /nfs/dbraw/zinc/50/34/61/583503461.db2.gz PFGQLQMZNPZJEU-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1nnc(C[NH2+]C2(CF)CCOCC2)s1 ZINC000894694560 583509394 /nfs/dbraw/zinc/50/93/94/583509394.db2.gz FYFQXJZZCDHZJC-UHFFFAOYSA-N 1 2 245.323 1.455 20 0 BDADLO C/C=C/CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894774143 583517797 /nfs/dbraw/zinc/51/77/97/583517797.db2.gz ONHSJWRJWLQLFH-GFAPAMAISA-N 1 2 236.319 1.647 20 0 BDADLO C/C=C/CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894774143 583517798 /nfs/dbraw/zinc/51/77/98/583517798.db2.gz ONHSJWRJWLQLFH-GFAPAMAISA-N 1 2 236.319 1.647 20 0 BDADLO CC1=CC[C@H]([N@@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894806290 583522623 /nfs/dbraw/zinc/52/26/23/583522623.db2.gz MNKAGJWTOCKDCE-NSHDSACASA-N 1 2 248.330 1.085 20 0 BDADLO CC1=CC[C@H]([N@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894806290 583522625 /nfs/dbraw/zinc/52/26/25/583522625.db2.gz MNKAGJWTOCKDCE-NSHDSACASA-N 1 2 248.330 1.085 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2nccn2C2CC2)C1 ZINC000894830997 583527655 /nfs/dbraw/zinc/52/76/55/583527655.db2.gz QSMZEGFMBDKZBN-UHFFFAOYSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)(F)CNc1nc(N)[nH+]c(C(C)(C)C)n1 ZINC000894856355 583532699 /nfs/dbraw/zinc/53/26/99/583532699.db2.gz HEPMETBTMCCUBB-UHFFFAOYSA-N 1 2 241.314 1.911 20 0 BDADLO CC(C)(F)CNc1nc(N)nc(C(C)(C)C)[nH+]1 ZINC000894856355 583532701 /nfs/dbraw/zinc/53/27/01/583532701.db2.gz HEPMETBTMCCUBB-UHFFFAOYSA-N 1 2 241.314 1.911 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cnc(Cl)n1C ZINC000894861705 583534880 /nfs/dbraw/zinc/53/48/80/583534880.db2.gz MNFQITFZXOPZAY-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cnc(Cl)n1C ZINC000894861705 583534882 /nfs/dbraw/zinc/53/48/82/583534882.db2.gz MNFQITFZXOPZAY-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)nc1 ZINC000894865096 583537007 /nfs/dbraw/zinc/53/70/07/583537007.db2.gz FROJBIFKXSWIEZ-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C=CCC1 ZINC000881497074 583553685 /nfs/dbraw/zinc/55/36/85/583553685.db2.gz SACHBFDNMRVCRA-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C=CCC1 ZINC000881497074 583553687 /nfs/dbraw/zinc/55/36/87/583553687.db2.gz SACHBFDNMRVCRA-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1C ZINC000894959393 583559267 /nfs/dbraw/zinc/55/92/67/583559267.db2.gz SBGZFFVROUCSQA-YPMHNXCESA-N 1 2 249.358 1.883 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1C ZINC000894959393 583559269 /nfs/dbraw/zinc/55/92/69/583559269.db2.gz SBGZFFVROUCSQA-YPMHNXCESA-N 1 2 249.358 1.883 20 0 BDADLO Cc1n[nH]c(C[NH+]2CC(C(F)F)C2)c1C ZINC000894977703 583563040 /nfs/dbraw/zinc/56/30/40/583563040.db2.gz WOJFYAKRLFEYPN-UHFFFAOYSA-N 1 2 215.247 1.723 20 0 BDADLO CCn1ccc(C[NH2+]Cc2c(C)ccnc2N)n1 ZINC000894990419 583563825 /nfs/dbraw/zinc/56/38/25/583563825.db2.gz GTJCRDLRFOZKQJ-UHFFFAOYSA-N 1 2 245.330 1.478 20 0 BDADLO Cc1coc(C[N@@H+]2CCO[C@@H](CF)C2)c1 ZINC000894984559 583564633 /nfs/dbraw/zinc/56/46/33/583564633.db2.gz AXXAYVPOKBIKCL-NSHDSACASA-N 1 2 213.252 1.758 20 0 BDADLO Cc1coc(C[N@H+]2CCO[C@@H](CF)C2)c1 ZINC000894984559 583564634 /nfs/dbraw/zinc/56/46/34/583564634.db2.gz AXXAYVPOKBIKCL-NSHDSACASA-N 1 2 213.252 1.758 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CCO[C@H](CF)C1 ZINC000894985791 583564753 /nfs/dbraw/zinc/56/47/53/583564753.db2.gz JDTYXKLFCUWYQA-SNVBAGLBSA-N 1 2 239.294 1.143 20 0 BDADLO CC1(C)OC[C@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000894987898 583565124 /nfs/dbraw/zinc/56/51/24/583565124.db2.gz BPSBUGSLRBTGQQ-JTQLQIEISA-N 1 2 238.287 1.137 20 0 BDADLO CC(C)c1c[nH]c(CN2CCO[C@H](CF)C2)[nH+]1 ZINC000894987965 583565196 /nfs/dbraw/zinc/56/51/96/583565196.db2.gz WIOQOAVNIHOABR-SNVBAGLBSA-N 1 2 241.310 1.703 20 0 BDADLO Cc1nnc([C@@H]2CC[N@H+](Cc3cocn3)C2)[nH]1 ZINC000895011289 583568249 /nfs/dbraw/zinc/56/82/49/583568249.db2.gz CTDSREDQIHSCPT-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cocn3)C2)[nH]1 ZINC000895011289 583568251 /nfs/dbraw/zinc/56/82/51/583568251.db2.gz CTDSREDQIHSCPT-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cocn3)C2)n1 ZINC000895011289 583568253 /nfs/dbraw/zinc/56/82/53/583568253.db2.gz CTDSREDQIHSCPT-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cocn3)C2)n1 ZINC000895011289 583568254 /nfs/dbraw/zinc/56/82/54/583568254.db2.gz CTDSREDQIHSCPT-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3cocn3)C2)n[nH]1 ZINC000895011289 583568256 /nfs/dbraw/zinc/56/82/56/583568256.db2.gz CTDSREDQIHSCPT-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cocn3)C2)n[nH]1 ZINC000895011289 583568258 /nfs/dbraw/zinc/56/82/58/583568258.db2.gz CTDSREDQIHSCPT-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCC(C)(F)F)c1 ZINC000895070892 583579370 /nfs/dbraw/zinc/57/93/70/583579370.db2.gz ZHOLXQACHNFFEV-UHFFFAOYSA-N 1 2 246.261 1.265 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC(F)CC1 ZINC000881611368 583581630 /nfs/dbraw/zinc/58/16/30/583581630.db2.gz OJIJLDUNXXPMJX-UHFFFAOYSA-N 1 2 225.267 1.303 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC(F)CC1 ZINC000881611368 583581632 /nfs/dbraw/zinc/58/16/32/583581632.db2.gz OJIJLDUNXXPMJX-UHFFFAOYSA-N 1 2 225.267 1.303 20 0 BDADLO Cc1ccoc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895111901 583590933 /nfs/dbraw/zinc/59/09/33/583590933.db2.gz BALNCMZLNWIPOB-HBNTYKKESA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccoc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895111901 583590935 /nfs/dbraw/zinc/59/09/35/583590935.db2.gz BALNCMZLNWIPOB-HBNTYKKESA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccoc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895111902 583590938 /nfs/dbraw/zinc/59/09/38/583590938.db2.gz BALNCMZLNWIPOB-OUAUKWLOSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccoc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895111902 583590939 /nfs/dbraw/zinc/59/09/39/583590939.db2.gz BALNCMZLNWIPOB-OUAUKWLOSA-N 1 2 236.315 1.685 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccoc1 ZINC000895114714 583591785 /nfs/dbraw/zinc/59/17/85/583591785.db2.gz NRANHXIOOUONGG-AEJSXWLSSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccoc1 ZINC000895114714 583591786 /nfs/dbraw/zinc/59/17/86/583591786.db2.gz NRANHXIOOUONGG-AEJSXWLSSA-N 1 2 222.288 1.377 20 0 BDADLO Cc1occc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895120983 583595149 /nfs/dbraw/zinc/59/51/49/583595149.db2.gz OFCDCQXXYGBIBT-LPEHRKFASA-N 1 2 236.315 1.685 20 0 BDADLO Cc1occc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895120983 583595150 /nfs/dbraw/zinc/59/51/50/583595150.db2.gz OFCDCQXXYGBIBT-LPEHRKFASA-N 1 2 236.315 1.685 20 0 BDADLO CN(C)c1cc(NC[C@H]2C=CCC2)[nH+]cn1 ZINC000895130715 583600516 /nfs/dbraw/zinc/60/05/16/583600516.db2.gz RIMPBTBZPAXJRH-JTQLQIEISA-N 1 2 218.304 1.921 20 0 BDADLO CN(C)c1cc(NC[C@H]2C=CCC2)nc[nH+]1 ZINC000895130715 583600518 /nfs/dbraw/zinc/60/05/18/583600518.db2.gz RIMPBTBZPAXJRH-JTQLQIEISA-N 1 2 218.304 1.921 20 0 BDADLO CC[C@@H](C)NC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000749763107 583601179 /nfs/dbraw/zinc/60/11/79/583601179.db2.gz XCEWFIVIXDINAE-ZJUUUORDSA-N 1 2 240.376 1.534 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC/C=C\Cl ZINC000895138331 583602622 /nfs/dbraw/zinc/60/26/22/583602622.db2.gz WPFBWEVHPJFNET-ARJAWSKDSA-N 1 2 242.710 1.455 20 0 BDADLO Cc1cc(N2C[C@@H]3C[C@]3(O)C2)nc(C2CCC2)[nH+]1 ZINC000895157122 583608122 /nfs/dbraw/zinc/60/81/22/583608122.db2.gz PEHLWZMBMPFNJN-FZMZJTMJSA-N 1 2 245.326 1.624 20 0 BDADLO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1n[nH]c(=O)n1C ZINC000895171412 583612523 /nfs/dbraw/zinc/61/25/23/583612523.db2.gz JSAOLSUPINUPQQ-GJMOJQLCSA-N 1 2 242.348 1.065 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@@H](CO)CC2)c1C ZINC000882404732 583615153 /nfs/dbraw/zinc/61/51/53/583615153.db2.gz JWBJCXHLAZLLRL-GFCCVEGCSA-N 1 2 235.331 1.692 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(O)c1)C1N=NC(=O)N1C ZINC000895182506 583617825 /nfs/dbraw/zinc/61/78/25/583617825.db2.gz DLKOPUXIIMSTMY-MRVPVSSYSA-N 1 2 248.286 1.077 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)[C@@H](C)CCO)c1Cl ZINC000895184141 583618414 /nfs/dbraw/zinc/61/84/14/583618414.db2.gz AHUSGRHKAMZUIH-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)[C@@H](C)CCO)c1Cl ZINC000895184141 583618416 /nfs/dbraw/zinc/61/84/16/583618416.db2.gz AHUSGRHKAMZUIH-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO CCOC(=O)c1n[nH]c([C@@H](C)[NH2+]CC(C)C)n1 ZINC000895236450 583629966 /nfs/dbraw/zinc/62/99/66/583629966.db2.gz RYMRWKHWYVDYIT-MRVPVSSYSA-N 1 2 240.307 1.288 20 0 BDADLO COCCN(CCF)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000895251723 583633336 /nfs/dbraw/zinc/63/33/36/583633336.db2.gz VVBXVJPLZXRVJI-UHFFFAOYSA-N 1 2 243.326 1.951 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1C ZINC000895275821 583635056 /nfs/dbraw/zinc/63/50/56/583635056.db2.gz PQTZCPKZKDCYOQ-YPMHNXCESA-N 1 2 235.331 1.495 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1C ZINC000895275821 583635057 /nfs/dbraw/zinc/63/50/57/583635057.db2.gz PQTZCPKZKDCYOQ-YPMHNXCESA-N 1 2 235.331 1.495 20 0 BDADLO CC(C)c1c[nH]c(CN(C)Cc2cn(C)nn2)[nH+]1 ZINC000895278792 583636167 /nfs/dbraw/zinc/63/61/67/583636167.db2.gz WCEDZRCKOHSXJI-UHFFFAOYSA-N 1 2 248.334 1.294 20 0 BDADLO c1cc(C[NH2+]Cc2nnc3n2CCCCC3)co1 ZINC000727463505 583655441 /nfs/dbraw/zinc/65/54/41/583655441.db2.gz BTDFUBTZFHUWKS-UHFFFAOYSA-N 1 2 246.314 1.887 20 0 BDADLO c1cc2c(cn1)C[N@H+](CCOC1CCOCC1)C2 ZINC000857880677 588919776 /nfs/dbraw/zinc/91/97/76/588919776.db2.gz LHTKWXYZHWQMLE-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO c1cc2c(cn1)C[N@@H+](CCOC1CCOCC1)C2 ZINC000857880677 588919778 /nfs/dbraw/zinc/91/97/78/588919778.db2.gz LHTKWXYZHWQMLE-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO Cc1nc([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)no1 ZINC000895403406 583667540 /nfs/dbraw/zinc/66/75/40/583667540.db2.gz FIJVZJZGUIKTGW-SNVBAGLBSA-N 1 2 245.286 1.470 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@H]1C(F)F ZINC000895430978 583670012 /nfs/dbraw/zinc/67/00/12/583670012.db2.gz IRINNVJTEAFUOB-QMMMGPOBSA-N 1 2 215.247 1.742 20 0 BDADLO CC(C)(CN1CC[C@@H]1C(F)F)[NH+]1CCOCC1 ZINC000895431104 583670033 /nfs/dbraw/zinc/67/00/33/583670033.db2.gz JPIXEEDGNSGGIP-SNVBAGLBSA-N 1 2 248.317 1.437 20 0 BDADLO Cc1c[nH]c(CN2CC[C@@H]2C(F)F)[nH+]1 ZINC000895431423 583670942 /nfs/dbraw/zinc/67/09/42/583670942.db2.gz MMQHQXIJWLXYLR-SSDOTTSWSA-N 1 2 201.220 1.558 20 0 BDADLO COCC(C)(C)C[N@@H+]1CC[C@H]1C(F)F ZINC000895433094 583671200 /nfs/dbraw/zinc/67/12/00/583671200.db2.gz TXWPEIXUIZNNSF-QMMMGPOBSA-N 1 2 207.264 1.998 20 0 BDADLO COCC(C)(C)C[N@H+]1CC[C@H]1C(F)F ZINC000895433094 583671201 /nfs/dbraw/zinc/67/12/01/583671201.db2.gz TXWPEIXUIZNNSF-QMMMGPOBSA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857889390 588921039 /nfs/dbraw/zinc/92/10/39/588921039.db2.gz JUNABCICADUIAY-JTQLQIEISA-N 1 2 219.288 1.280 20 0 BDADLO C/C=C(/C=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1)CC ZINC000857889660 588921240 /nfs/dbraw/zinc/92/12/40/588921240.db2.gz MRUDMIFFIANPQG-SRLNBLRRSA-N 1 2 245.326 1.837 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887567 588921330 /nfs/dbraw/zinc/92/13/30/588921330.db2.gz MKEHPDMYHIIKDP-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO Fc1ccc(CC[NH2+]Cc2c[nH]nn2)cc1F ZINC000895534523 583686082 /nfs/dbraw/zinc/68/60/82/583686082.db2.gz VEBBEAZHNYENJY-UHFFFAOYSA-N 1 2 238.241 1.415 20 0 BDADLO Fc1ccc(CC[NH2+]Cc2cn[nH]n2)cc1F ZINC000895534523 583686083 /nfs/dbraw/zinc/68/60/83/583686083.db2.gz VEBBEAZHNYENJY-UHFFFAOYSA-N 1 2 238.241 1.415 20 0 BDADLO CCn1nncc1C[NH2+]Cc1ccc(OC)o1 ZINC000895546514 583689781 /nfs/dbraw/zinc/68/97/81/583689781.db2.gz ZXYVQSHCAWDESM-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO Cc1cc(N2CCC[C@H]2c2ccnn2C)nc[nH+]1 ZINC000895716212 583711222 /nfs/dbraw/zinc/71/12/22/583711222.db2.gz HOSIIAAFGSLDGA-LBPRGKRZSA-N 1 2 243.314 1.860 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCc2ncncc2C1 ZINC000895723158 583712981 /nfs/dbraw/zinc/71/29/81/583712981.db2.gz CIZRHIVCBIOYIX-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1ncoc1C[N@H+]1CCc2ncncc2C1 ZINC000895723158 583712983 /nfs/dbraw/zinc/71/29/83/583712983.db2.gz CIZRHIVCBIOYIX-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO C[C@H]1[C@H](Nc2nnc(C(F)F)o2)CC[N@@H+]1C ZINC000895737840 583718545 /nfs/dbraw/zinc/71/85/45/583718545.db2.gz ZFRQEQVYQDGSQF-NTSWFWBYSA-N 1 2 232.234 1.512 20 0 BDADLO C[C@H]1[C@H](Nc2nnc(C(F)F)o2)CC[N@H+]1C ZINC000895737840 583718546 /nfs/dbraw/zinc/71/85/46/583718546.db2.gz ZFRQEQVYQDGSQF-NTSWFWBYSA-N 1 2 232.234 1.512 20 0 BDADLO CCc1nc(N2CCO[C@H](C)CC2)cc[nH+]1 ZINC000895765748 583723613 /nfs/dbraw/zinc/72/36/13/583723613.db2.gz RMEXIOPISSTYKF-SNVBAGLBSA-N 1 2 221.304 1.654 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000895809035 583729881 /nfs/dbraw/zinc/72/98/81/583729881.db2.gz XUCADYZGSXFJTF-MNOVXSKESA-N 1 2 239.315 1.383 20 0 BDADLO Cc1[nH+]c2ccccn2c1CN[C@H]1CCOC1=O ZINC000895801195 583730735 /nfs/dbraw/zinc/73/07/35/583730735.db2.gz MRQRWLJSDDYLHE-JTQLQIEISA-N 1 2 245.282 1.048 20 0 BDADLO Cc1cccc2[nH+]cc(CN[C@H]3CCOC3=O)n21 ZINC000895800917 583731156 /nfs/dbraw/zinc/73/11/56/583731156.db2.gz KEWDNJKTZXTNPI-NSHDSACASA-N 1 2 245.282 1.048 20 0 BDADLO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCOC1=O ZINC000895804138 583731519 /nfs/dbraw/zinc/73/15/19/583731519.db2.gz OHVWFJJUWPWGMR-SKDRFNHKSA-N 1 2 237.274 1.662 20 0 BDADLO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCOC1=O ZINC000895803589 583731587 /nfs/dbraw/zinc/73/15/87/583731587.db2.gz DDDQTELVOCJESS-BDAKNGLRSA-N 1 2 231.361 1.812 20 0 BDADLO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCOC1=O ZINC000895804137 583731703 /nfs/dbraw/zinc/73/17/03/583731703.db2.gz OHVWFJJUWPWGMR-CABZTGNLSA-N 1 2 237.274 1.662 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]Cc1cccc2cnccc21 ZINC000895805395 583731930 /nfs/dbraw/zinc/73/19/30/583731930.db2.gz SSVXNFSFAWFZSQ-ZDUSSCGKSA-N 1 2 242.278 1.640 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000895808383 583732594 /nfs/dbraw/zinc/73/25/94/583732594.db2.gz LTDRCFYRFJTRFM-YPMHNXCESA-N 1 2 246.310 1.234 20 0 BDADLO CC(C)(C)C(=O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985445 588925749 /nfs/dbraw/zinc/92/57/49/588925749.db2.gz KGOJNKXGPODGBZ-QMMMGPOBSA-N 1 2 235.287 1.059 20 0 BDADLO CCc1nc(N[C@@H]2CCCN(CC)C2=O)cc[nH+]1 ZINC000895900291 583741488 /nfs/dbraw/zinc/74/14/88/583741488.db2.gz ZSTMOQMNQNYHRR-SNVBAGLBSA-N 1 2 248.330 1.462 20 0 BDADLO CS/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857962808 588925821 /nfs/dbraw/zinc/92/58/21/588925821.db2.gz MTDHVMXPAVBFRR-LVCFMKKZSA-N 1 2 237.328 1.191 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)CCCF ZINC000895895850 583743401 /nfs/dbraw/zinc/74/34/01/583743401.db2.gz GDYCYYYHXDGRCN-UHFFFAOYSA-N 1 2 219.691 1.865 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)CCCF ZINC000895895850 583743402 /nfs/dbraw/zinc/74/34/02/583743402.db2.gz GDYCYYYHXDGRCN-UHFFFAOYSA-N 1 2 219.691 1.865 20 0 BDADLO C[N@H+](CCCF)Cc1cn(C2CCC2)nn1 ZINC000895895686 583743483 /nfs/dbraw/zinc/74/34/83/583743483.db2.gz CJAGEFOZOHSMBU-UHFFFAOYSA-N 1 2 226.299 1.795 20 0 BDADLO C[N@@H+](CCCF)Cc1cn(C2CCC2)nn1 ZINC000895895686 583743484 /nfs/dbraw/zinc/74/34/84/583743484.db2.gz CJAGEFOZOHSMBU-UHFFFAOYSA-N 1 2 226.299 1.795 20 0 BDADLO CC(C)(C)OCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983283 588925936 /nfs/dbraw/zinc/92/59/36/588925936.db2.gz ZLAKTVJSKQZYNS-VIFPVBQESA-N 1 2 237.303 1.259 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976686 588926017 /nfs/dbraw/zinc/92/60/17/588926017.db2.gz KCYJIKXQQJXNAQ-NOOOWODRSA-N 1 2 245.326 1.880 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C12CC(C1)C2 ZINC000857976055 588926150 /nfs/dbraw/zinc/92/61/50/588926150.db2.gz WOJNCRVNNYSGFC-XEVUQIKYSA-N 1 2 217.272 1.244 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000895961505 583750882 /nfs/dbraw/zinc/75/08/82/583750882.db2.gz BCOLDEKYHCULCC-CQSZACIVSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000895961505 583750883 /nfs/dbraw/zinc/75/08/83/583750883.db2.gz BCOLDEKYHCULCC-CQSZACIVSA-N 1 2 246.310 1.973 20 0 BDADLO CC(C)OC1CN(Cc2c[nH+]c3ccccn23)C1 ZINC000895952845 583751385 /nfs/dbraw/zinc/75/13/85/583751385.db2.gz QJDNEMMHHFYPSY-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CCc1nc(N(C)[C@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000895955301 583752704 /nfs/dbraw/zinc/75/27/04/583752704.db2.gz TYHGYWUKKBDHPH-JTQLQIEISA-N 1 2 248.330 1.096 20 0 BDADLO Cc1cnccc1C[NH+]1CC(OC(C)C)C1 ZINC000895955103 583752846 /nfs/dbraw/zinc/75/28/46/583752846.db2.gz OXNWJMLDISVTTO-UHFFFAOYSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC(OC(C)C)C1 ZINC000895955968 583752903 /nfs/dbraw/zinc/75/29/03/583752903.db2.gz FOBFEYVQUCXGEJ-UHFFFAOYSA-N 1 2 235.331 1.581 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc3cnccc3o2)CCO1 ZINC000895963945 583753629 /nfs/dbraw/zinc/75/36/29/583753629.db2.gz SKBWQNCJTFKRPQ-CYBMUJFWSA-N 1 2 248.282 1.633 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc3cnccc3o2)CCO1 ZINC000895963945 583753631 /nfs/dbraw/zinc/75/36/31/583753631.db2.gz SKBWQNCJTFKRPQ-CYBMUJFWSA-N 1 2 248.282 1.633 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccsc2C)CCO1 ZINC000895963187 583753809 /nfs/dbraw/zinc/75/38/09/583753809.db2.gz MRXJGHJIZKAJSD-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccsc2C)CCO1 ZINC000895963187 583753811 /nfs/dbraw/zinc/75/38/11/583753811.db2.gz MRXJGHJIZKAJSD-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)Cc2ccsc2)CCO1 ZINC000895968913 583755153 /nfs/dbraw/zinc/75/51/53/583755153.db2.gz UZCZPWAEGMBBNX-PWSUYJOCSA-N 1 2 241.356 1.984 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)Cc2ccsc2)CCO1 ZINC000895968913 583755154 /nfs/dbraw/zinc/75/51/54/583755154.db2.gz UZCZPWAEGMBBNX-PWSUYJOCSA-N 1 2 241.356 1.984 20 0 BDADLO COCC1C[NH+](Cc2cnn(C)c2Cl)C1 ZINC000895969666 583755189 /nfs/dbraw/zinc/75/51/89/583755189.db2.gz IXXPZPZHXFOHGR-UHFFFAOYSA-N 1 2 229.711 1.152 20 0 BDADLO COCC1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000895971187 583756146 /nfs/dbraw/zinc/75/61/46/583756146.db2.gz NEPCPXARXXMRIG-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO Cc1cc(CCNc2cc[nH+]cc2F)nn1C ZINC000896023649 583764472 /nfs/dbraw/zinc/76/44/72/583764472.db2.gz NUFHSYWSIBWQKJ-UHFFFAOYSA-N 1 2 234.278 1.339 20 0 BDADLO CN(C)c1ccc(CNC(=O)C2=COCC2)c[nH+]1 ZINC000727755420 583765030 /nfs/dbraw/zinc/76/50/30/583765030.db2.gz YXDATPQQIJMQNL-UHFFFAOYSA-N 1 2 247.298 1.068 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H]1C1CC1 ZINC000857978884 588927546 /nfs/dbraw/zinc/92/75/46/588927546.db2.gz RKZUXLLWRODMOG-VWYCJHECSA-N 1 2 231.299 1.490 20 0 BDADLO COC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857981216 588928158 /nfs/dbraw/zinc/92/81/58/588928158.db2.gz BZBZECBNOVWYHJ-VIFPVBQESA-N 1 2 235.287 1.013 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857982340 588928185 /nfs/dbraw/zinc/92/81/85/588928185.db2.gz HZXQRELQTIQRHY-MRVPVSSYSA-N 1 2 205.261 1.244 20 0 BDADLO COC[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981707 588928196 /nfs/dbraw/zinc/92/81/96/588928196.db2.gz ASTREYJPWJGVRZ-ZJUUUORDSA-N 1 2 237.303 1.117 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)co1 ZINC000857981206 588928307 /nfs/dbraw/zinc/92/83/07/588928307.db2.gz BRAUWKYAPJGJPE-SNVBAGLBSA-N 1 2 231.255 1.659 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@H]2CNC(=O)C2)[nH+]1 ZINC000896135929 583775429 /nfs/dbraw/zinc/77/54/29/583775429.db2.gz RSULKIRIGSWTSJ-NXEZZACHSA-N 1 2 249.314 1.073 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(F)(F)F ZINC000857983442 588928631 /nfs/dbraw/zinc/92/86/31/588928631.db2.gz RUWSFHHVFXTQEQ-RQJHMYQMSA-N 1 2 247.220 1.643 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCSC1 ZINC000857983758 588928706 /nfs/dbraw/zinc/92/87/06/588928706.db2.gz UKIKLTBBBVRGPX-DTWKUNHWSA-N 1 2 237.328 1.197 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984858 588928834 /nfs/dbraw/zinc/92/88/34/588928834.db2.gz FILBFBLQZNOEGJ-PTDYZRSTSA-N 1 2 205.261 1.410 20 0 BDADLO CC(F)(F)CCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986583 588929185 /nfs/dbraw/zinc/92/91/85/588929185.db2.gz QYHCVCAFOJIJPS-MRVPVSSYSA-N 1 2 243.257 1.880 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C2CC2)CC1 ZINC000896260290 583786440 /nfs/dbraw/zinc/78/64/40/583786440.db2.gz ISHGOUIXJGQQOJ-UHFFFAOYSA-N 1 2 219.288 1.558 20 0 BDADLO O=C(COC1CCCC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857987157 588929523 /nfs/dbraw/zinc/92/95/23/588929523.db2.gz VKVHYIJHHCXPNF-NSHDSACASA-N 1 2 249.314 1.403 20 0 BDADLO CCc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)no1 ZINC000896358440 583796292 /nfs/dbraw/zinc/79/62/92/583796292.db2.gz VEBMEIPEENSCRS-UHFFFAOYSA-N 1 2 246.270 1.131 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)COC(C)C)CCN2 ZINC000857997982 588930273 /nfs/dbraw/zinc/93/02/73/588930273.db2.gz XWYGUANHLPVCTO-UHFFFAOYSA-N 1 2 249.314 1.574 20 0 BDADLO CCO[C@H]1CCN(c2cc[nH+]c(CC)n2)C1 ZINC000896403820 583800182 /nfs/dbraw/zinc/80/01/82/583800182.db2.gz BJMIXWPTKOFFHL-JTQLQIEISA-N 1 2 221.304 1.654 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C13CC(C1)C3)CCN2 ZINC000858002621 588930382 /nfs/dbraw/zinc/93/03/82/588930382.db2.gz YCPXUBORPRNFFQ-UHFFFAOYSA-N 1 2 243.310 1.949 20 0 BDADLO CCc1nc(NCCO[C@H]2CCOC2)cc[nH+]1 ZINC000896471931 583802878 /nfs/dbraw/zinc/80/28/78/583802878.db2.gz HYCWPMBKFTZNFX-JTQLQIEISA-N 1 2 237.303 1.256 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccoc2)n1 ZINC000858204900 588938467 /nfs/dbraw/zinc/93/84/67/588938467.db2.gz MXHLWZGRUTYTRN-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CCC1(CC)CNC(=O)[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000896675017 583822331 /nfs/dbraw/zinc/82/23/31/583822331.db2.gz SEHWIPJZAPGBFG-NSHDSACASA-N 1 2 248.330 1.502 20 0 BDADLO c1cc2n(c1)CCN(Cc1c[nH+]c3n1CCC3)C2 ZINC000896761641 583831587 /nfs/dbraw/zinc/83/15/87/583831587.db2.gz SALMPWAMHOLYMM-UHFFFAOYSA-N 1 2 242.326 1.647 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC2(C)CC2)c[nH+]1 ZINC000896832606 583838245 /nfs/dbraw/zinc/83/82/45/583838245.db2.gz UITJFOWHNZTVOB-UHFFFAOYSA-N 1 2 235.331 1.843 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1CCCC12CC2 ZINC000858170885 588936544 /nfs/dbraw/zinc/93/65/44/588936544.db2.gz PQTABGGBIBVNSB-QMMMGPOBSA-N 1 2 224.329 1.786 20 0 BDADLO Cc1[nH]c(CNC(=O)C23CC(C2)C3)[nH+]c1C ZINC000896905845 583851225 /nfs/dbraw/zinc/85/12/25/583851225.db2.gz LTTSIPOBLXOGAU-UHFFFAOYSA-N 1 2 219.288 1.443 20 0 BDADLO CCOC(C)(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896905864 583851324 /nfs/dbraw/zinc/85/13/24/583851324.db2.gz MNDNFGRLKSTNRG-UHFFFAOYSA-N 1 2 239.319 1.458 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CC23CCC3)[nH+]c1C ZINC000896917370 583855537 /nfs/dbraw/zinc/85/55/37/583855537.db2.gz WDFGXUYZNJLUPW-JTQLQIEISA-N 1 2 233.315 1.833 20 0 BDADLO CCc1ocnc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919285 583855786 /nfs/dbraw/zinc/85/57/86/583855786.db2.gz MHOQQNDWDWNVMF-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CO[C@@H](C)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920352 583857543 /nfs/dbraw/zinc/85/75/43/583857543.db2.gz CICHCASYFYIHJI-ZETCQYMHSA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@@]1(C)CCC[C@H]1[NH2+]CC(=O)NOC ZINC000896924446 583857564 /nfs/dbraw/zinc/85/75/64/583857564.db2.gz MPKKPUVXCNOXKR-KOLCDFICSA-N 1 2 214.309 1.222 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000896923785 583858880 /nfs/dbraw/zinc/85/88/80/583858880.db2.gz IGVBDOUDMYSOJL-LLVKDONJSA-N 1 2 236.315 1.193 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1csnn1 ZINC000858177309 588937454 /nfs/dbraw/zinc/93/74/54/588937454.db2.gz AJTBOLPCYXYVNV-ZETCQYMHSA-N 1 2 238.291 1.923 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000896926351 583859522 /nfs/dbraw/zinc/85/95/22/583859522.db2.gz IHQRPDUGTHRJPL-MNOVXSKESA-N 1 2 230.352 1.714 20 0 BDADLO Cc1[nH]c(CNC(=O)CC(C)C)[nH+]c1C ZINC000896929466 583860169 /nfs/dbraw/zinc/86/01/69/583860169.db2.gz IVRULGJZFVXILH-UHFFFAOYSA-N 1 2 209.293 1.689 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(C)nc2)[nH+]c1C ZINC000896926804 583860221 /nfs/dbraw/zinc/86/02/21/583860221.db2.gz HVNZYVAFIHMBJP-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1c[nH]c(NC(=O)C(C)(C)n2c[nH+]c(C)c2)n1 ZINC000896979885 583865981 /nfs/dbraw/zinc/86/59/81/583865981.db2.gz QYRKVYSZNVNOHE-UHFFFAOYSA-N 1 2 247.302 1.597 20 0 BDADLO CCN(CCC(=O)NC)c1nc[nH+]c(C)c1C ZINC000896978680 583866056 /nfs/dbraw/zinc/86/60/56/583866056.db2.gz UFTQSSREQSAHCF-UHFFFAOYSA-N 1 2 236.319 1.056 20 0 BDADLO CCN(CCC(=O)NC)c1cccc[nH+]1 ZINC000896983978 583867324 /nfs/dbraw/zinc/86/73/24/583867324.db2.gz GEYCFUIGFSIWJB-UHFFFAOYSA-N 1 2 207.277 1.044 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CCSC1 ZINC000869595355 583882125 /nfs/dbraw/zinc/88/21/25/583882125.db2.gz FAOIDWCBEWEKEN-VIFPVBQESA-N 1 2 239.344 1.212 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)[C@H]1CC[C@@H]1OC ZINC000897141982 583883410 /nfs/dbraw/zinc/88/34/10/583883410.db2.gz DWGUODCCWQMFNI-UWVGGRQHSA-N 1 2 237.303 1.407 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1nccn2c[nH+]cc12 ZINC000897142115 583883826 /nfs/dbraw/zinc/88/38/26/583883826.db2.gz GDJIGRBONXZIFP-ONGXEEELSA-N 1 2 232.287 1.343 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000897147663 583886083 /nfs/dbraw/zinc/88/60/83/583886083.db2.gz OZVFHRYPXZLUGE-WDEREUQCSA-N 1 2 246.314 1.880 20 0 BDADLO Nc1nc(N[C@@H]2C[C@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000897177143 583889718 /nfs/dbraw/zinc/88/97/18/583889718.db2.gz KFAWGZKXAHEEJE-KXUCPTDWSA-N 1 2 245.330 1.932 20 0 BDADLO Nc1nc(N[C@@H]2C[C@H]3CCC[C@@H]32)[nH+]c(C2CC2)n1 ZINC000897177143 583889719 /nfs/dbraw/zinc/88/97/19/583889719.db2.gz KFAWGZKXAHEEJE-KXUCPTDWSA-N 1 2 245.330 1.932 20 0 BDADLO C[C@@H](c1nc(CCCCF)no1)[NH+](C)C ZINC000897207340 583894263 /nfs/dbraw/zinc/89/42/63/583894263.db2.gz BLEVADZEXWHIMB-QMMMGPOBSA-N 1 2 215.272 1.984 20 0 BDADLO CCc1nc(NCc2nnc(C)[nH]2)cc[nH+]1 ZINC000897210034 583895531 /nfs/dbraw/zinc/89/55/31/583895531.db2.gz XOGWGXUMPGVJNM-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C=C1CCCC1 ZINC000728545166 583896369 /nfs/dbraw/zinc/89/63/69/583896369.db2.gz PXIZUAKSCAKINZ-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2CC(CCO)C2)[nH+]1 ZINC000897235591 583899421 /nfs/dbraw/zinc/89/94/21/583899421.db2.gz ZEVQXCWRNBYQSU-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO C[C@@H](O)c1cccc(NC2CC(CCO)C2)[nH+]1 ZINC000897236545 583900159 /nfs/dbraw/zinc/90/01/59/583900159.db2.gz MTNRIMSIMMTBHS-KPPDAEKUSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000897295228 583911688 /nfs/dbraw/zinc/91/16/88/583911688.db2.gz NKFOQHQRVHUSHF-GARJFASQSA-N 1 2 249.314 1.498 20 0 BDADLO C/C=C\COC(=O)Cc1cn2ccccc2[nH+]1 ZINC000729075055 583952000 /nfs/dbraw/zinc/95/20/00/583952000.db2.gz BSCHHSUZDRBYQD-IHWYPQMZSA-N 1 2 230.267 1.996 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCCC[C@H]1CC ZINC000862403978 583962135 /nfs/dbraw/zinc/96/21/35/583962135.db2.gz ZNCXOUIYRSELLO-VXGBXAGGSA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1CC ZINC000862403975 583962182 /nfs/dbraw/zinc/96/21/82/583962182.db2.gz ZNCXOUIYRSELLO-NEPJUHHUSA-N 1 2 242.363 1.860 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccncc2F)n1 ZINC000858207340 588938919 /nfs/dbraw/zinc/93/89/19/588938919.db2.gz VEYJLUXAGAVNBP-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO COC/C=C\c1nc(Cc2c[nH+]cn2C)no1 ZINC000866954492 583971333 /nfs/dbraw/zinc/97/13/33/583971333.db2.gz HGJNLMQLDAPZRR-ARJAWSKDSA-N 1 2 234.259 1.054 20 0 BDADLO CNc1cc(N[C@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897450226 583985460 /nfs/dbraw/zinc/98/54/60/583985460.db2.gz AFYWVJKNUODCEA-ZJUUUORDSA-N 1 2 234.303 1.355 20 0 BDADLO CNc1cc(N[C@H]2COC[C@@H]2C2CC2)[nH+]cn1 ZINC000897450226 583985461 /nfs/dbraw/zinc/98/54/61/583985461.db2.gz AFYWVJKNUODCEA-ZJUUUORDSA-N 1 2 234.303 1.355 20 0 BDADLO C[C@@H](CC(=O)NC1=[NH+]CCS1)n1cccc1 ZINC000729284086 583989461 /nfs/dbraw/zinc/98/94/61/583989461.db2.gz UBTHLLXGGHAXEB-VIFPVBQESA-N 1 2 237.328 1.658 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000785420971 584007198 /nfs/dbraw/zinc/00/71/98/584007198.db2.gz IAIIMZMCGYWMNF-ZJUUUORDSA-N 1 2 235.287 1.670 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ccon2)[nH]1 ZINC000148747621 584040943 /nfs/dbraw/zinc/04/09/43/584040943.db2.gz NEMNYNWDRACFPY-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO C[C@@]1([NH2+]Cc2nc3ccccc3o2)CCNC1=O ZINC000897868087 584055199 /nfs/dbraw/zinc/05/51/99/584055199.db2.gz GDVUEUDCVMPTOX-CYBMUJFWSA-N 1 2 245.282 1.196 20 0 BDADLO COC1(C(F)(F)F)C[NH+](CC(C)C)C1 ZINC000897879084 584057461 /nfs/dbraw/zinc/05/74/61/584057461.db2.gz AYKOHGMCMSVRCQ-UHFFFAOYSA-N 1 2 211.227 1.906 20 0 BDADLO CC(=O)c1cn(C2C[NH+](CC3(C)CCC3)C2)nn1 ZINC000897940443 584062834 /nfs/dbraw/zinc/06/28/34/584062834.db2.gz MFACZOLLKWEFKK-UHFFFAOYSA-N 1 2 248.330 1.528 20 0 BDADLO COc1ccc(C[NH2+]Cc2cn(C)cn2)o1 ZINC000898041797 584079873 /nfs/dbraw/zinc/07/98/73/584079873.db2.gz BKRILJZMNJSXAZ-UHFFFAOYSA-N 1 2 221.260 1.312 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cc(C)nn2C)n1 ZINC000858444588 588955355 /nfs/dbraw/zinc/95/53/55/588955355.db2.gz NEWXRFVAYGECPB-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO COc1ccsc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186048 584093138 /nfs/dbraw/zinc/09/31/38/584093138.db2.gz AIYMIJNBANQNQN-BDAKNGLRSA-N 1 2 245.319 1.661 20 0 BDADLO COc1ccsc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186048 584093139 /nfs/dbraw/zinc/09/31/39/584093139.db2.gz AIYMIJNBANQNQN-BDAKNGLRSA-N 1 2 245.319 1.661 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186912 584093920 /nfs/dbraw/zinc/09/39/20/584093920.db2.gz CPNVXQXBRMTZKX-GHMZBOCLSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186912 584093921 /nfs/dbraw/zinc/09/39/21/584093921.db2.gz CPNVXQXBRMTZKX-GHMZBOCLSA-N 1 2 213.252 1.493 20 0 BDADLO O[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C[C@@H]1F ZINC000898188636 584094748 /nfs/dbraw/zinc/09/47/48/584094748.db2.gz SIKZNAGTWDGCED-NWDGAFQWSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898194223 584095966 /nfs/dbraw/zinc/09/59/66/584095966.db2.gz WHVOBJYDZYNOEW-ZJUUUORDSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898194223 584095968 /nfs/dbraw/zinc/09/59/68/584095968.db2.gz WHVOBJYDZYNOEW-ZJUUUORDSA-N 1 2 213.252 1.493 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000898256986 584106485 /nfs/dbraw/zinc/10/64/85/584106485.db2.gz KYDWPBXDZQKGEN-OUAUKWLOSA-N 1 2 248.330 1.740 20 0 BDADLO FC(F)[C@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000801562778 584127796 /nfs/dbraw/zinc/12/77/96/584127796.db2.gz FHRSYICVUWPWAQ-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000801562778 584127798 /nfs/dbraw/zinc/12/77/98/584127798.db2.gz FHRSYICVUWPWAQ-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO COc1cc(N[C@H](C)c2[nH]cc[nH+]2)cnc1OC ZINC000858483060 588959753 /nfs/dbraw/zinc/95/97/53/588959753.db2.gz XQEQSJACBDPZMO-MRVPVSSYSA-N 1 2 248.286 1.995 20 0 BDADLO CC(C)C1CN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898629205 584146929 /nfs/dbraw/zinc/14/69/29/584146929.db2.gz YRAXAEUDTNNINJ-UHFFFAOYSA-N 1 2 236.319 1.218 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2(C3(C)CC3)CC2)c1 ZINC000898619434 584147609 /nfs/dbraw/zinc/14/76/09/584147609.db2.gz JQGGVWODTMZAKW-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC(C)(C)C(F)F)c1 ZINC000898621388 584147701 /nfs/dbraw/zinc/14/77/01/584147701.db2.gz KKKWCXHLJJCPEV-UHFFFAOYSA-N 1 2 246.261 1.263 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C[C@H]2C2CCC2)c1 ZINC000898619896 584147727 /nfs/dbraw/zinc/14/77/27/584147727.db2.gz RFSYCNFXPDZMET-NWDGAFQWSA-N 1 2 248.330 1.408 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)NCc1cn(C)c[nH+]1 ZINC000898622229 584147919 /nfs/dbraw/zinc/14/79/19/584147919.db2.gz RTKVESLZMRPOEH-RKDXNWHRSA-N 1 2 222.292 1.112 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1CC12CCC2)n1cc[nH+]c1 ZINC000898904788 584165123 /nfs/dbraw/zinc/16/51/23/584165123.db2.gz JSPHWNGVJJIBMG-NSHDSACASA-N 1 2 247.342 1.925 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899143180 584176944 /nfs/dbraw/zinc/17/69/44/584176944.db2.gz VQZQJVIMEWAYHK-VSQXVHSFSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000899143180 584176946 /nfs/dbraw/zinc/17/69/46/584176946.db2.gz VQZQJVIMEWAYHK-VSQXVHSFSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000899143180 584176948 /nfs/dbraw/zinc/17/69/48/584176948.db2.gz VQZQJVIMEWAYHK-VSQXVHSFSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000899143180 584176950 /nfs/dbraw/zinc/17/69/50/584176950.db2.gz VQZQJVIMEWAYHK-VSQXVHSFSA-N 1 2 248.330 1.482 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H]1C(C)C ZINC000899356987 584206479 /nfs/dbraw/zinc/20/64/79/584206479.db2.gz YOKYRBRBCOBDIH-GFCCVEGCSA-N 1 2 248.330 1.764 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cc(C3CC3)no2)c[nH+]1 ZINC000899370082 584208191 /nfs/dbraw/zinc/20/81/91/584208191.db2.gz XRHXPCQLHCOXQS-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO CCNC(=S)NCc1c(C)[nH+]c2ccccn21 ZINC000899704222 584226138 /nfs/dbraw/zinc/22/61/38/584226138.db2.gz KCGHZRJKPWENMU-UHFFFAOYSA-N 1 2 248.355 1.627 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000899811400 584238772 /nfs/dbraw/zinc/23/87/72/584238772.db2.gz JWDPUPLSZYOZJN-SECBINFHSA-N 1 2 239.294 1.333 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000899811400 584238774 /nfs/dbraw/zinc/23/87/74/584238774.db2.gz JWDPUPLSZYOZJN-SECBINFHSA-N 1 2 239.294 1.333 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000899811786 584238799 /nfs/dbraw/zinc/23/87/99/584238799.db2.gz QIUSDEQOMROGJR-NXEZZACHSA-N 1 2 239.294 1.342 20 0 BDADLO CN(CCCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000899812176 584239245 /nfs/dbraw/zinc/23/92/45/584239245.db2.gz VKUFDZVBLSBXNI-JTQLQIEISA-N 1 2 239.294 1.264 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000899936728 584258216 /nfs/dbraw/zinc/25/82/16/584258216.db2.gz FUUJHFDUDKJXFT-GXSJLCMTSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000899936728 584258217 /nfs/dbraw/zinc/25/82/17/584258217.db2.gz FUUJHFDUDKJXFT-GXSJLCMTSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2cc(C)on2)c[nH+]1 ZINC000900010805 584265242 /nfs/dbraw/zinc/26/52/42/584265242.db2.gz DSHQEEAZQUBISH-UHFFFAOYSA-N 1 2 248.286 1.862 20 0 BDADLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC000900324107 584294961 /nfs/dbraw/zinc/29/49/61/584294961.db2.gz YMRVDEKHSNIOCU-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CC1(NC(=O)Cc2c[nH+]c[nH]2)CCCCC1 ZINC000900324107 584294963 /nfs/dbraw/zinc/29/49/63/584294963.db2.gz YMRVDEKHSNIOCU-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO Cc1noc(C)c1NC(=O)CNc1cccc[nH+]1 ZINC000900406559 584303703 /nfs/dbraw/zinc/30/37/03/584303703.db2.gz JAKJBMXLGVGZIF-UHFFFAOYSA-N 1 2 246.270 1.737 20 0 BDADLO C/C(Cl)=C/C(=O)NCc1[nH+]ccn1C ZINC000900564564 584325794 /nfs/dbraw/zinc/32/57/94/584325794.db2.gz ZNIPDSCGNMWYBZ-ALCCZGGFSA-N 1 2 213.668 1.179 20 0 BDADLO CCCN(C(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900571061 584326967 /nfs/dbraw/zinc/32/69/67/584326967.db2.gz CRHZRZKZMSEZGL-UHFFFAOYSA-N 1 2 233.315 1.895 20 0 BDADLO CCC/C=C/[C@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900625774 584333802 /nfs/dbraw/zinc/33/38/02/584333802.db2.gz NQKBIFINIYBAQM-PORFMDCZSA-N 1 2 237.303 1.085 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900653877 584336293 /nfs/dbraw/zinc/33/62/93/584336293.db2.gz AVMOSNTZTJXXKM-SECBINFHSA-N 1 2 209.293 1.457 20 0 BDADLO COC/C(C)=C\Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000900644101 584338333 /nfs/dbraw/zinc/33/83/33/584338333.db2.gz SGORSNOFNHFDJL-JYOAFUTRSA-N 1 2 247.302 1.116 20 0 BDADLO CCCc1cc(NC(=O)Cc2c[nH+]c[nH]2)n[nH]1 ZINC000900645925 584338432 /nfs/dbraw/zinc/33/84/32/584338432.db2.gz YCWVKYJXOLBUML-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO CCCc1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000900645925 584338435 /nfs/dbraw/zinc/33/84/35/584338435.db2.gz YCWVKYJXOLBUML-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900678932 584341000 /nfs/dbraw/zinc/34/10/00/584341000.db2.gz ZAVGWTKSBMMCQA-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900678932 584341002 /nfs/dbraw/zinc/34/10/02/584341002.db2.gz ZAVGWTKSBMMCQA-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900740283 584347795 /nfs/dbraw/zinc/34/77/95/584347795.db2.gz VHGHVTXBSHADPZ-IWIIMEHWSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900740283 584347796 /nfs/dbraw/zinc/34/77/96/584347796.db2.gz VHGHVTXBSHADPZ-IWIIMEHWSA-N 1 2 235.331 1.893 20 0 BDADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccsc1 ZINC000900742210 584348317 /nfs/dbraw/zinc/34/83/17/584348317.db2.gz NSJZJBUFOAPOOV-KOLCDFICSA-N 1 2 240.328 1.142 20 0 BDADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccsc1 ZINC000900742210 584348318 /nfs/dbraw/zinc/34/83/18/584348318.db2.gz NSJZJBUFOAPOOV-KOLCDFICSA-N 1 2 240.328 1.142 20 0 BDADLO C[C@H]1CC(NC(=O)Cc2c[nH]c[nH+]2)C[C@H](C)C1 ZINC000900794733 584352368 /nfs/dbraw/zinc/35/23/68/584352368.db2.gz HHTZSOHMKHQADO-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H]1CC(NC(=O)Cc2c[nH+]c[nH]2)C[C@H](C)C1 ZINC000900794733 584352369 /nfs/dbraw/zinc/35/23/69/584352369.db2.gz HHTZSOHMKHQADO-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCSC1 ZINC000900868481 584363133 /nfs/dbraw/zinc/36/31/33/584363133.db2.gz SOIFJEWIRZOQIT-SECBINFHSA-N 1 2 237.328 1.115 20 0 BDADLO CC(C)c1cc(N2C[C@@H]3COC(=O)[C@@H]3C2)nc[nH+]1 ZINC000858849846 588978453 /nfs/dbraw/zinc/97/84/53/588978453.db2.gz XFJXFDNGTRSOAI-NXEZZACHSA-N 1 2 247.298 1.209 20 0 BDADLO CCn1ccnc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001488 584373210 /nfs/dbraw/zinc/37/32/10/584373210.db2.gz WSVFRCMJXSNYAM-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO CCC/C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996493 584374900 /nfs/dbraw/zinc/37/49/00/584374900.db2.gz DJJACJXXTIZBLS-SREVYHEPSA-N 1 2 221.304 1.999 20 0 BDADLO CCCC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996493 584374901 /nfs/dbraw/zinc/37/49/01/584374901.db2.gz DJJACJXXTIZBLS-SREVYHEPSA-N 1 2 221.304 1.999 20 0 BDADLO C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCS1 ZINC000901036198 584376210 /nfs/dbraw/zinc/37/62/10/584376210.db2.gz WQOBVFHIAGENPU-NSHDSACASA-N 1 2 239.344 1.354 20 0 BDADLO C[C@@]1(CNC(=O)Cc2c[nH+]c[nH]2)CCCS1 ZINC000901036198 584376212 /nfs/dbraw/zinc/37/62/12/584376212.db2.gz WQOBVFHIAGENPU-NSHDSACASA-N 1 2 239.344 1.354 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1(C2CC2)CCC1 ZINC000901175079 584395815 /nfs/dbraw/zinc/39/58/15/584395815.db2.gz BAKHNOJNTWBEIU-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC1(C2CC2)CCC1 ZINC000901175079 584395816 /nfs/dbraw/zinc/39/58/16/584395816.db2.gz BAKHNOJNTWBEIU-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000901197874 584397847 /nfs/dbraw/zinc/39/78/47/584397847.db2.gz FHWVXIHXJCVEQK-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)C[C@H](NC(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000901197874 584397850 /nfs/dbraw/zinc/39/78/50/584397850.db2.gz FHWVXIHXJCVEQK-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000901205478 584399305 /nfs/dbraw/zinc/39/93/05/584399305.db2.gz POKLMNKHPOFBSL-QWRGUYRKSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000901205478 584399306 /nfs/dbraw/zinc/39/93/06/584399306.db2.gz POKLMNKHPOFBSL-QWRGUYRKSA-N 1 2 237.303 1.026 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000901302432 584419555 /nfs/dbraw/zinc/41/95/55/584419555.db2.gz XIGNVDXPTJLXFD-JOEOVOKTSA-N 1 2 235.287 1.010 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)OCCF ZINC000858901875 588983621 /nfs/dbraw/zinc/98/36/21/588983621.db2.gz OQSNBQWGIIHFST-UHFFFAOYSA-N 1 2 241.266 1.343 20 0 BDADLO CC(C)n1c[nH+]cc1C=C1SC(=O)NC1=O ZINC000901555710 584462296 /nfs/dbraw/zinc/46/22/96/584462296.db2.gz YYXONCDHUVVFFS-FPYGCLRLSA-N 1 2 237.284 1.788 20 0 BDADLO Cc1ccc(C[N@H+](C)CN2CCOC2=O)s1 ZINC000902108984 584523605 /nfs/dbraw/zinc/52/36/05/584523605.db2.gz IBJYAHRNJIWZLZ-UHFFFAOYSA-N 1 2 240.328 1.898 20 0 BDADLO Cc1ccc(C[N@@H+](C)CN2CCOC2=O)s1 ZINC000902108984 584523607 /nfs/dbraw/zinc/52/36/07/584523607.db2.gz IBJYAHRNJIWZLZ-UHFFFAOYSA-N 1 2 240.328 1.898 20 0 BDADLO COC(=O)c1cc(CNc2cc[nH+]c(C)n2)c[nH]1 ZINC000902124521 584529317 /nfs/dbraw/zinc/52/93/17/584529317.db2.gz GPVHQKDHBKJJNT-UHFFFAOYSA-N 1 2 246.270 1.512 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1CN1CCOC1=O ZINC000902170640 584534640 /nfs/dbraw/zinc/53/46/40/584534640.db2.gz JHDQKZQHMILNAS-SNVBAGLBSA-N 1 2 232.283 1.973 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1CN1CCOC1=O ZINC000902170640 584534642 /nfs/dbraw/zinc/53/46/42/584534642.db2.gz JHDQKZQHMILNAS-SNVBAGLBSA-N 1 2 232.283 1.973 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902168966 584534674 /nfs/dbraw/zinc/53/46/74/584534674.db2.gz BINCKBHRRZHGDK-JKOKRWQUSA-N 1 2 242.322 1.999 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902168966 584534675 /nfs/dbraw/zinc/53/46/75/584534675.db2.gz BINCKBHRRZHGDK-JKOKRWQUSA-N 1 2 242.322 1.999 20 0 BDADLO COc1ccc(CNc2cc(C)[nH+]cn2)o1 ZINC000902195401 584536927 /nfs/dbraw/zinc/53/69/27/584536927.db2.gz NVVHHOIJAPUNGO-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CC1(C)C[NH+](CN2CCOC2=O)CC(C)(C)O1 ZINC000902235300 584542396 /nfs/dbraw/zinc/54/23/96/584542396.db2.gz OHMLQXTZMMZXPZ-UHFFFAOYSA-N 1 2 242.319 1.286 20 0 BDADLO Cc1cccc2c1C[N@H+](CN1CCOC1=O)CC2 ZINC000902243049 584545635 /nfs/dbraw/zinc/54/56/35/584545635.db2.gz MRAVXYNRCUWVBJ-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO Cc1cccc2c1C[N@@H+](CN1CCOC1=O)CC2 ZINC000902243049 584545636 /nfs/dbraw/zinc/54/56/36/584545636.db2.gz MRAVXYNRCUWVBJ-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902278374 584551039 /nfs/dbraw/zinc/55/10/39/584551039.db2.gz VBUYNFCVJFFTTR-JBLDHEPKSA-N 1 2 226.295 1.246 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902278374 584551040 /nfs/dbraw/zinc/55/10/40/584551040.db2.gz VBUYNFCVJFFTTR-JBLDHEPKSA-N 1 2 226.295 1.246 20 0 BDADLO COc1cccc(CO[NH+]=C(N)CCO)c1C ZINC000902332181 584562697 /nfs/dbraw/zinc/56/26/97/584562697.db2.gz KIBUTEWBHYGFLS-UHFFFAOYSA-N 1 2 238.287 1.384 20 0 BDADLO COc1ccc(CO[NH+]=C(N)CCO)cc1C ZINC000902333512 584563309 /nfs/dbraw/zinc/56/33/09/584563309.db2.gz UXSBVTPIEHZBIK-UHFFFAOYSA-N 1 2 238.287 1.384 20 0 BDADLO CCn1ncc(COc2cc[nH+]cc2)n1 ZINC000902356882 584569808 /nfs/dbraw/zinc/56/98/08/584569808.db2.gz ORODIPWPROEXJR-UHFFFAOYSA-N 1 2 204.233 1.272 20 0 BDADLO COC[C@H](CO[NH+]=C(N)[C@H]1CCCO1)C(C)C ZINC000902384022 584577191 /nfs/dbraw/zinc/57/71/91/584577191.db2.gz XUGMOXNIMSSIPM-GHMZBOCLSA-N 1 2 244.335 1.582 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@@]12CCOC2)[C@H]1CCCO1 ZINC000902384050 584577545 /nfs/dbraw/zinc/57/75/45/584577545.db2.gz YFRJKSFSXVZRSI-HOSYDEDBSA-N 1 2 240.303 1.090 20 0 BDADLO CCc1nnc([C@@H](C)NCc2cn(CC)c[nH+]2)[nH]1 ZINC000902432763 584595298 /nfs/dbraw/zinc/59/52/98/584595298.db2.gz XXDIBPNHJUJKFB-SECBINFHSA-N 1 2 248.334 1.434 20 0 BDADLO CNc1ccc(C)cc1C[NH2+]Cc1cn(C)nn1 ZINC000902474207 584601817 /nfs/dbraw/zinc/60/18/17/584601817.db2.gz BFWKGCBXUNLBCH-UHFFFAOYSA-N 1 2 245.330 1.455 20 0 BDADLO Cc1nn(Cc2ccc(C)[nH+]c2)cc1CO ZINC000902497781 584619206 /nfs/dbraw/zinc/61/92/06/584619206.db2.gz UZMXLSPTAGTWFL-UHFFFAOYSA-N 1 2 217.272 1.436 20 0 BDADLO Nc1ccc(Cn2cc(C3CC3)nn2)c[nH+]1 ZINC000902542932 584628610 /nfs/dbraw/zinc/62/86/10/584628610.db2.gz OZOOQCCPVKLIIG-UHFFFAOYSA-N 1 2 215.260 1.181 20 0 BDADLO CCn1c[nH+]c(CN[C@@H](C)C(F)(F)F)c1 ZINC000902561408 584634413 /nfs/dbraw/zinc/63/44/13/584634413.db2.gz HASOKPZHBXTCJD-ZETCQYMHSA-N 1 2 221.226 1.943 20 0 BDADLO CCNc1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000902564722 584634873 /nfs/dbraw/zinc/63/48/73/584634873.db2.gz VNOZQYMOQUCVBQ-UHFFFAOYSA-N 1 2 245.330 1.537 20 0 BDADLO CCn1c[nH+]c(CN[C@@H](C)c2ccn(C)n2)c1 ZINC000902596928 584636713 /nfs/dbraw/zinc/63/67/13/584636713.db2.gz SMLMKWYXKCNYNS-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CCn1cnc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000902596928 584636716 /nfs/dbraw/zinc/63/67/16/584636716.db2.gz SMLMKWYXKCNYNS-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CCn1cnc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000902640817 584649988 /nfs/dbraw/zinc/64/99/88/584649988.db2.gz MYRDLAQTOPYDAT-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CCn1cnc(C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000902640816 584650072 /nfs/dbraw/zinc/65/00/72/584650072.db2.gz MYRDLAQTOPYDAT-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N1CCCCCC1 ZINC000902686686 584656324 /nfs/dbraw/zinc/65/63/24/584656324.db2.gz KAOSZZRQNDXBEB-UHFFFAOYSA-N 1 2 248.330 1.749 20 0 BDADLO Cc1c[nH]c(CNc2nnn(C)c2C(F)F)[nH+]1 ZINC000902710432 584657209 /nfs/dbraw/zinc/65/72/09/584657209.db2.gz GDDOPIBLWKHMJI-UHFFFAOYSA-N 1 2 242.233 1.396 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000902738340 584662862 /nfs/dbraw/zinc/66/28/62/584662862.db2.gz IIPYKBKVZLIYBE-BSKOKIOFSA-N 1 2 228.292 1.257 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@H]3CNC(=O)O3)ccc21 ZINC000902781029 584670033 /nfs/dbraw/zinc/67/00/33/584670033.db2.gz CEKSSKWRONDBOV-SECBINFHSA-N 1 2 247.254 1.061 20 0 BDADLO F[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000902991859 584710126 /nfs/dbraw/zinc/71/01/26/584710126.db2.gz CZHJZAKXXKHEBM-JTQLQIEISA-N 1 2 231.702 1.970 20 0 BDADLO F[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000902991859 584710127 /nfs/dbraw/zinc/71/01/27/584710127.db2.gz CZHJZAKXXKHEBM-JTQLQIEISA-N 1 2 231.702 1.970 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@H](F)C2)nn1 ZINC000902994852 584712555 /nfs/dbraw/zinc/71/25/55/584712555.db2.gz JPCDEZRMVBIEFG-VIFPVBQESA-N 1 2 225.267 1.419 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@H](F)C2)nn1 ZINC000902994852 584712556 /nfs/dbraw/zinc/71/25/56/584712556.db2.gz JPCDEZRMVBIEFG-VIFPVBQESA-N 1 2 225.267 1.419 20 0 BDADLO O=S1(=O)CC[C@H](CC[N@H+]2CCC[C@H](F)C2)C1 ZINC000902996173 584713875 /nfs/dbraw/zinc/71/38/75/584713875.db2.gz QQXXTYGZZBVIRJ-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CC[C@H](CC[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902996173 584713876 /nfs/dbraw/zinc/71/38/76/584713876.db2.gz QQXXTYGZZBVIRJ-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000902999250 584715130 /nfs/dbraw/zinc/71/51/30/584715130.db2.gz WIFFTSZCOGMDIZ-WDEREUQCSA-N 1 2 230.327 1.676 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000902999250 584715131 /nfs/dbraw/zinc/71/51/31/584715131.db2.gz WIFFTSZCOGMDIZ-WDEREUQCSA-N 1 2 230.327 1.676 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](F)C1 ZINC000903001108 584715596 /nfs/dbraw/zinc/71/55/96/584715596.db2.gz KBWULKKGCBDGCT-QWRGUYRKSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](F)C1 ZINC000903001108 584715598 /nfs/dbraw/zinc/71/55/98/584715598.db2.gz KBWULKKGCBDGCT-QWRGUYRKSA-N 1 2 242.338 1.868 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000739 584715645 /nfs/dbraw/zinc/71/56/45/584715645.db2.gz IKDUXPDUVOAHTQ-WDEREUQCSA-N 1 2 230.327 1.725 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000739 584715646 /nfs/dbraw/zinc/71/56/46/584715646.db2.gz IKDUXPDUVOAHTQ-WDEREUQCSA-N 1 2 230.327 1.725 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cncs1 ZINC000903310735 584748098 /nfs/dbraw/zinc/74/80/98/584748098.db2.gz KXMGXQAMTSYPQP-JGVFFNPUSA-N 1 2 237.332 1.683 20 0 BDADLO CCCn1cc([C@H](C)NCc2cn(C)c[nH+]2)nn1 ZINC000903350997 584755354 /nfs/dbraw/zinc/75/53/54/584755354.db2.gz HDZVNONBFMKIAU-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CC[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000903705207 584790960 /nfs/dbraw/zinc/79/09/60/584790960.db2.gz KAKWDVLRBSYGAN-SNVBAGLBSA-N 1 2 247.298 1.535 20 0 BDADLO C[C@H](c1noc([C@H](C)[NH+](C)C)n1)[C@@H]1CCCO1 ZINC000903816697 584800819 /nfs/dbraw/zinc/80/08/19/584800819.db2.gz OZQVWZMIXNAEQJ-GUBZILKMSA-N 1 2 239.319 1.975 20 0 BDADLO C[N@H+](Cc1ccnc(F)c1)Cc1cnccn1 ZINC000859160387 589011870 /nfs/dbraw/zinc/01/18/70/589011870.db2.gz VVYDQUVWYGMYLE-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO C[N@@H+](Cc1ccnc(F)c1)Cc1cnccn1 ZINC000859160387 589011872 /nfs/dbraw/zinc/01/18/72/589011872.db2.gz VVYDQUVWYGMYLE-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO CC(C)CCOC(=O)NCc1c[nH+]cn1C ZINC000859163940 589012281 /nfs/dbraw/zinc/01/22/81/589012281.db2.gz SMWMGWDZIZAMRR-UHFFFAOYSA-N 1 2 225.292 1.692 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(COC(C)C)n1 ZINC000904258797 584859422 /nfs/dbraw/zinc/85/94/22/584859422.db2.gz TWYOTLUWLMLYKN-UHFFFAOYSA-N 1 2 248.286 1.947 20 0 BDADLO CC(C)([NH2+]Cc1ccc(N)nn1)c1nccs1 ZINC000904328339 584865620 /nfs/dbraw/zinc/86/56/20/584865620.db2.gz CRPRQFYVHGWXFR-UHFFFAOYSA-N 1 2 249.343 1.540 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000830468571 584908428 /nfs/dbraw/zinc/90/84/28/584908428.db2.gz KHFHFXIGSXVADG-VHSXEESVSA-N 1 2 239.319 1.777 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000830468571 584908429 /nfs/dbraw/zinc/90/84/29/584908429.db2.gz KHFHFXIGSXVADG-VHSXEESVSA-N 1 2 239.319 1.777 20 0 BDADLO CCN(Cc1[nH+]ccn1C)c1cnn(C)c1 ZINC000653863138 584912174 /nfs/dbraw/zinc/91/21/74/584912174.db2.gz WSEDCRHFVNWNLO-UHFFFAOYSA-N 1 2 219.292 1.180 20 0 BDADLO CCC[C@@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000835194553 584921305 /nfs/dbraw/zinc/92/13/05/584921305.db2.gz SVPLNTLJDNTMDP-SNVBAGLBSA-N 1 2 226.276 1.278 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000837676338 584938536 /nfs/dbraw/zinc/93/85/36/584938536.db2.gz MQSMLRNCUFMERV-KOLCDFICSA-N 1 2 233.315 1.880 20 0 BDADLO C/C=C(/CC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800213293 584944325 /nfs/dbraw/zinc/94/43/25/584944325.db2.gz WPKXOICIDNABCO-GFLSPSCZSA-N 1 2 241.331 1.607 20 0 BDADLO C/C=C(/CC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800213293 584944326 /nfs/dbraw/zinc/94/43/26/584944326.db2.gz WPKXOICIDNABCO-GFLSPSCZSA-N 1 2 241.331 1.607 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CN1CCCC1=O ZINC000733295949 584946294 /nfs/dbraw/zinc/94/62/94/584946294.db2.gz VNJAQKVOPGBPTQ-UHFFFAOYSA-N 1 2 238.253 1.841 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CN1CCCC1=O ZINC000733295949 584946295 /nfs/dbraw/zinc/94/62/95/584946295.db2.gz VNJAQKVOPGBPTQ-UHFFFAOYSA-N 1 2 238.253 1.841 20 0 BDADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C/C=C\Cl ZINC000733614462 584951364 /nfs/dbraw/zinc/95/13/64/584951364.db2.gz PCBGSXZITLGUMZ-JJKLJZTJSA-N 1 2 239.768 1.492 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccnc(F)c1 ZINC000733885167 584954094 /nfs/dbraw/zinc/95/40/94/584954094.db2.gz QXXMPKXNBSULSQ-UHFFFAOYSA-N 1 2 245.257 1.852 20 0 BDADLO O=C(C=C1CCCC1)NCc1[nH]cc[nH+]1 ZINC000733956111 584955365 /nfs/dbraw/zinc/95/53/65/584955365.db2.gz ZBVGDZBBKKRSID-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1=COCCO1 ZINC000733968310 584955915 /nfs/dbraw/zinc/95/59/15/584955915.db2.gz RISXAMVYHYUNEX-UHFFFAOYSA-N 1 2 245.238 1.161 20 0 BDADLO Cc1nc(N2CC[C@@H]([C@H]3CCCO3)C2)cc[nH+]1 ZINC000884731861 584962966 /nfs/dbraw/zinc/96/29/66/584962966.db2.gz GSUHLJCGCCVLHF-VXGBXAGGSA-N 1 2 233.315 1.790 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)[C@H]2CC23CC3)CCO1 ZINC000817232850 584983676 /nfs/dbraw/zinc/98/36/76/584983676.db2.gz MKVFXGZLZSBNDE-WDEREUQCSA-N 1 2 239.315 1.050 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H]2CC23CC3)CCO1 ZINC000817232850 584983677 /nfs/dbraw/zinc/98/36/77/584983677.db2.gz MKVFXGZLZSBNDE-WDEREUQCSA-N 1 2 239.315 1.050 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C1=COCC1 ZINC000736195545 584991373 /nfs/dbraw/zinc/99/13/73/584991373.db2.gz OBMXBAOLUXKVEE-UHFFFAOYSA-N 1 2 247.298 1.304 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781543 585007807 /nfs/dbraw/zinc/00/78/07/585007807.db2.gz KGSLHWAUKPRODP-IWSPIJDZSA-N 1 2 226.345 1.886 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cccc(CO)c1 ZINC000771939990 585011506 /nfs/dbraw/zinc/01/15/06/585011506.db2.gz MLGXERPESIYFDX-UHFFFAOYSA-N 1 2 246.266 1.232 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@H]1CCCCO1 ZINC000756296896 585021166 /nfs/dbraw/zinc/02/11/66/585021166.db2.gz YJWJNJYVDDTFOQ-LLVKDONJSA-N 1 2 238.287 1.423 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099813 585022853 /nfs/dbraw/zinc/02/28/53/585022853.db2.gz KOFIARUWNQZYIB-QTKMDUPCSA-N 1 2 233.315 1.328 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccnc(F)c1 ZINC000859197764 589017709 /nfs/dbraw/zinc/01/77/09/589017709.db2.gz RDKCALYUVXOBLM-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccnc(F)c1 ZINC000859197764 589017711 /nfs/dbraw/zinc/01/77/11/589017711.db2.gz RDKCALYUVXOBLM-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO FCC(CF)NCc1c[nH+]c2ccccn12 ZINC000824554097 585028883 /nfs/dbraw/zinc/02/88/83/585028883.db2.gz AMLYRWDNNJKGKW-UHFFFAOYSA-N 1 2 225.242 1.732 20 0 BDADLO FCC(CF)[NH2+]Cc1cnc2ccccn12 ZINC000824554097 585028884 /nfs/dbraw/zinc/02/88/84/585028884.db2.gz AMLYRWDNNJKGKW-UHFFFAOYSA-N 1 2 225.242 1.732 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCNC(=O)C(C)C ZINC000179993114 585032423 /nfs/dbraw/zinc/03/24/23/585032423.db2.gz LDXVVSJHZWXHAI-VIFPVBQESA-N 1 2 238.335 1.141 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCSC2=O)CCCO1 ZINC000738159960 585041386 /nfs/dbraw/zinc/04/13/86/585041386.db2.gz GUWQSNASFAOXSD-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCSC2=O)CCCO1 ZINC000738159960 585041387 /nfs/dbraw/zinc/04/13/87/585041387.db2.gz GUWQSNASFAOXSD-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO CC/C(C)=C/C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838044154 585043583 /nfs/dbraw/zinc/04/35/83/585043583.db2.gz NAUAKHMHQMFVHW-ZKQHCESOSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C(C)=C/C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000838044154 585043584 /nfs/dbraw/zinc/04/35/84/585043584.db2.gz NAUAKHMHQMFVHW-ZKQHCESOSA-N 1 2 241.331 1.607 20 0 BDADLO CC(C(=O)OCCn1cc[nH+]c1)=C1CCC1 ZINC000838235329 585049630 /nfs/dbraw/zinc/04/96/30/585049630.db2.gz FXGJUFOSQNUDIX-UHFFFAOYSA-N 1 2 220.272 1.927 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000838633100 585064163 /nfs/dbraw/zinc/06/41/63/585064163.db2.gz IQTHAXCAJZKCNL-QWRGUYRKSA-N 1 2 248.330 1.768 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000838640542 585064207 /nfs/dbraw/zinc/06/42/07/585064207.db2.gz XMKQSPFXUCCPQO-AXFHLTTASA-N 1 2 248.330 1.910 20 0 BDADLO CON(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000838720766 585067553 /nfs/dbraw/zinc/06/75/53/585067553.db2.gz QVOIFYDFOVFTDK-UHFFFAOYSA-N 1 2 223.276 1.401 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000838805236 585069321 /nfs/dbraw/zinc/06/93/21/585069321.db2.gz ACCHRVYLJPJEAT-AOOOYVTPSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000838805236 585069322 /nfs/dbraw/zinc/06/93/22/585069322.db2.gz ACCHRVYLJPJEAT-AOOOYVTPSA-N 1 2 240.376 1.624 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)C1CC1)C(C)(C)C ZINC000838897677 585079260 /nfs/dbraw/zinc/07/92/60/585079260.db2.gz QXNCKDLVTZRRQM-WDEREUQCSA-N 1 2 243.347 1.325 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000839073455 585089705 /nfs/dbraw/zinc/08/97/05/585089705.db2.gz LMKWALIGVPCSCR-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1ncc(C[N@H+]2CCC=C(C)C2)n1 ZINC000839073455 585089706 /nfs/dbraw/zinc/08/97/06/585089706.db2.gz LMKWALIGVPCSCR-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1ncc(C[N@H+](CC)C[C@@H](C)OC)n1 ZINC000839109535 585091638 /nfs/dbraw/zinc/09/16/38/585091638.db2.gz JILNMMGFGFHQOG-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncc(C[N@@H+](CC)C[C@@H](C)OC)n1 ZINC000839109535 585091639 /nfs/dbraw/zinc/09/16/39/585091639.db2.gz JILNMMGFGFHQOG-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO Cn1ncc(C[NH+]2CC(C3CCCCC3)C2)n1 ZINC000839135545 585093904 /nfs/dbraw/zinc/09/39/04/585093904.db2.gz DZHGPCYYFMROAD-UHFFFAOYSA-N 1 2 234.347 1.827 20 0 BDADLO CCC[C@@H]([NH2+]CC(=O)NOC)C1CCC1 ZINC000839200794 585099319 /nfs/dbraw/zinc/09/93/19/585099319.db2.gz XHVAJPFPQATOQS-SNVBAGLBSA-N 1 2 214.309 1.222 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H](C)c2ccn(C)n2)c1C ZINC000886142695 585109018 /nfs/dbraw/zinc/10/90/18/585109018.db2.gz ITRBVBKBNOTBOE-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO CCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000742192738 585122726 /nfs/dbraw/zinc/12/27/26/585122726.db2.gz IEMRWPXKVQODAV-SECBINFHSA-N 1 2 241.360 1.032 20 0 BDADLO Cc1nnc([C@H](C)O[NH+]=C(N)COC(C)C)o1 ZINC000742356804 585124843 /nfs/dbraw/zinc/12/48/43/585124843.db2.gz ILZGUMNBDITZDP-ZETCQYMHSA-N 1 2 242.279 1.362 20 0 BDADLO Cc1[nH+]c[nH]c1[C@H]1NC(=O)c2ccc(F)cc2N1 ZINC000742442771 585126260 /nfs/dbraw/zinc/12/62/60/585126260.db2.gz OJEXRBWATHQAMQ-LLVKDONJSA-N 1 2 246.245 1.711 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000789299946 585142097 /nfs/dbraw/zinc/14/20/97/585142097.db2.gz GBGMWBWQKCRHMR-VHSXEESVSA-N 1 2 206.293 1.453 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000789299946 585142098 /nfs/dbraw/zinc/14/20/98/585142098.db2.gz GBGMWBWQKCRHMR-VHSXEESVSA-N 1 2 206.293 1.453 20 0 BDADLO S=c1ncccn1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436767 585150520 /nfs/dbraw/zinc/15/05/20/585150520.db2.gz UEEFPCPMBQZTBR-AOOOYVTPSA-N 1 2 237.328 1.433 20 0 BDADLO S=c1ncccn1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436767 585150521 /nfs/dbraw/zinc/15/05/21/585150521.db2.gz UEEFPCPMBQZTBR-AOOOYVTPSA-N 1 2 237.328 1.433 20 0 BDADLO Cc1cccn2cc(CC(=O)OCCCO)[nH+]c12 ZINC000745001178 585155333 /nfs/dbraw/zinc/15/53/33/585155333.db2.gz WZMUZOHVGAVEOM-UHFFFAOYSA-N 1 2 248.282 1.111 20 0 BDADLO Cc1cc(NC(=O)COC2(C)CCC2)cc[nH+]1 ZINC000746175550 585164595 /nfs/dbraw/zinc/16/45/95/585164595.db2.gz MGWBIRYJVIBVFC-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO CSC=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000747108482 585175018 /nfs/dbraw/zinc/17/50/18/585175018.db2.gz SXKDJCAWRHWEEQ-PLNGDYQASA-N 1 2 222.313 1.936 20 0 BDADLO C/C=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747400101 585178422 /nfs/dbraw/zinc/17/84/22/585178422.db2.gz FXSSBVCTSUXPPV-UMBAGQNISA-N 1 2 207.277 1.212 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC(C)(C)C ZINC000747784442 585184179 /nfs/dbraw/zinc/18/41/79/585184179.db2.gz WTPWDVMVAREPLY-UHFFFAOYSA-N 1 2 210.277 1.900 20 0 BDADLO CCC[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000747784013 585184204 /nfs/dbraw/zinc/18/42/04/585184204.db2.gz RUJPNTCGPPIXAR-VIFPVBQESA-N 1 2 210.277 1.900 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCc1ccco1 ZINC000747780737 585184215 /nfs/dbraw/zinc/18/42/15/585184215.db2.gz IBCXPOXQQBROHC-UHFFFAOYSA-N 1 2 234.255 1.689 20 0 BDADLO NC(=O)CO[NH+]=C(N)c1cccc2ccccc21 ZINC000747833901 585184915 /nfs/dbraw/zinc/18/49/15/585184915.db2.gz CUQVBFHRYJCCOI-UHFFFAOYSA-N 1 2 243.266 1.172 20 0 BDADLO O=C(CCC1CCC1)NC1=[NH+]CCS1 ZINC000749320128 585201272 /nfs/dbraw/zinc/20/12/72/585201272.db2.gz YQHHYEPISHPBNA-UHFFFAOYSA-N 1 2 212.318 1.786 20 0 BDADLO CCc1cc(NC[C@@H](O)c2ccncc2)nc[nH+]1 ZINC000749901709 585207935 /nfs/dbraw/zinc/20/79/35/585207935.db2.gz WKFLTMGIMUWUFT-GFCCVEGCSA-N 1 2 244.298 1.580 20 0 BDADLO CCC(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000750308798 585212891 /nfs/dbraw/zinc/21/28/91/585212891.db2.gz FPRZSEYOVRNLDG-UHFFFAOYSA-N 1 2 231.255 1.721 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1nncn1C ZINC000750522637 585216540 /nfs/dbraw/zinc/21/65/40/585216540.db2.gz PIFGZOHKVNGIHA-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1nncn1C ZINC000750522637 585216541 /nfs/dbraw/zinc/21/65/41/585216541.db2.gz PIFGZOHKVNGIHA-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO CCC[N@H+](CC)Cn1nc2ccccn2c1=O ZINC000750600753 585217752 /nfs/dbraw/zinc/21/77/52/585217752.db2.gz BUAUXVQNIKZZGS-UHFFFAOYSA-N 1 2 234.303 1.185 20 0 BDADLO CCC[N@@H+](CC)Cn1nc2ccccn2c1=O ZINC000750600753 585217753 /nfs/dbraw/zinc/21/77/53/585217753.db2.gz BUAUXVQNIKZZGS-UHFFFAOYSA-N 1 2 234.303 1.185 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000751373790 585227746 /nfs/dbraw/zinc/22/77/46/585227746.db2.gz SQLNDCWDOTXBON-WZUFQYTHSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000751373790 585227747 /nfs/dbraw/zinc/22/77/47/585227747.db2.gz SQLNDCWDOTXBON-WZUFQYTHSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C/C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751425347 585230100 /nfs/dbraw/zinc/23/01/00/585230100.db2.gz KPOWTIBJNAMAFZ-NSCUHMNNSA-N 1 2 219.288 1.692 20 0 BDADLO C/C=C/C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751425347 585230101 /nfs/dbraw/zinc/23/01/01/585230101.db2.gz KPOWTIBJNAMAFZ-NSCUHMNNSA-N 1 2 219.288 1.692 20 0 BDADLO CCn1cnn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751925362 585239089 /nfs/dbraw/zinc/23/90/89/585239089.db2.gz NZHOAMYCNLTQDJ-AOOOYVTPSA-N 1 2 240.376 1.979 20 0 BDADLO CCn1cnn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751925362 585239090 /nfs/dbraw/zinc/23/90/90/585239090.db2.gz NZHOAMYCNLTQDJ-AOOOYVTPSA-N 1 2 240.376 1.979 20 0 BDADLO CCn1cnn(C[N@@H+]2CCC[C@H]2C)c1=S ZINC000751931483 585239709 /nfs/dbraw/zinc/23/97/09/585239709.db2.gz BABGUACJUSBJGS-SECBINFHSA-N 1 2 226.349 1.876 20 0 BDADLO CCn1cnn(C[N@H+]2CCC[C@H]2C)c1=S ZINC000751931483 585239710 /nfs/dbraw/zinc/23/97/10/585239710.db2.gz BABGUACJUSBJGS-SECBINFHSA-N 1 2 226.349 1.876 20 0 BDADLO CO[C@@H]1CC[N@H+](Cn2cccnc2=S)C1 ZINC000751938147 585239724 /nfs/dbraw/zinc/23/97/24/585239724.db2.gz DKGOSUIJRCHABE-SECBINFHSA-N 1 2 225.317 1.291 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cn2cccnc2=S)C1 ZINC000751938147 585239725 /nfs/dbraw/zinc/23/97/25/585239725.db2.gz DKGOSUIJRCHABE-SECBINFHSA-N 1 2 225.317 1.291 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ncccn2)c1 ZINC000753009311 585252308 /nfs/dbraw/zinc/25/23/08/585252308.db2.gz VFCNFHRKDSEIAN-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC(F)C1 ZINC000753071046 585252944 /nfs/dbraw/zinc/25/29/44/585252944.db2.gz HDTYWFVVLMCZJC-UHFFFAOYSA-N 1 2 246.245 1.061 20 0 BDADLO Cc1[nH]c(C(=O)NC23CCC(CC2)C3)c[nH+]1 ZINC000753134894 585254016 /nfs/dbraw/zinc/25/40/16/585254016.db2.gz AEDUTXZGOYXYFX-UHFFFAOYSA-N 1 2 219.288 1.781 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C(C1CC1)C1CC1 ZINC000753557567 585261552 /nfs/dbraw/zinc/26/15/52/585261552.db2.gz JHLWRHRYDJMSRA-UHFFFAOYSA-N 1 2 234.299 1.900 20 0 BDADLO CCC(=O)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000753738730 585267556 /nfs/dbraw/zinc/26/75/56/585267556.db2.gz QBTOBVQAVGYGIH-UHFFFAOYSA-N 1 2 236.319 1.025 20 0 BDADLO CCC(=O)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000753738730 585267557 /nfs/dbraw/zinc/26/75/57/585267557.db2.gz QBTOBVQAVGYGIH-UHFFFAOYSA-N 1 2 236.319 1.025 20 0 BDADLO CCC(=O)CC[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000753771732 585268787 /nfs/dbraw/zinc/26/87/87/585268787.db2.gz VNXAAHXGOZCUBV-LBPRGKRZSA-N 1 2 240.347 1.298 20 0 BDADLO CCC(=O)CC[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000753771732 585268788 /nfs/dbraw/zinc/26/87/88/585268788.db2.gz VNXAAHXGOZCUBV-LBPRGKRZSA-N 1 2 240.347 1.298 20 0 BDADLO C[C@H]1COCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000753985421 585274161 /nfs/dbraw/zinc/27/41/61/585274161.db2.gz HMJFKJKMTDURHS-SECBINFHSA-N 1 2 229.711 1.462 20 0 BDADLO C[C@H]1COCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000753985421 585274162 /nfs/dbraw/zinc/27/41/62/585274162.db2.gz HMJFKJKMTDURHS-SECBINFHSA-N 1 2 229.711 1.462 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)[C@H](C)CO1 ZINC000754001101 585274780 /nfs/dbraw/zinc/27/47/80/585274780.db2.gz YFWMKYZWNXPBOD-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)[C@H](C)CO1 ZINC000754001101 585274781 /nfs/dbraw/zinc/27/47/81/585274781.db2.gz YFWMKYZWNXPBOD-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO Cc1ncc(C=CC(=O)NCc2c[nH+]c[nH]2)s1 ZINC000754296442 585282108 /nfs/dbraw/zinc/28/21/08/585282108.db2.gz RJERYAARSPXCSY-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO Cc1ncc(C=CC(=O)NCc2c[nH]c[nH+]2)s1 ZINC000754296442 585282109 /nfs/dbraw/zinc/28/21/09/585282109.db2.gz RJERYAARSPXCSY-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO O[C@H]1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000754676410 585289144 /nfs/dbraw/zinc/28/91/44/585289144.db2.gz SRAYYGRDTJFPME-LURJTMIESA-N 1 2 238.678 1.134 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCC1CC1 ZINC000754685287 585289337 /nfs/dbraw/zinc/28/93/37/585289337.db2.gz RVBMSHUSTQPHSJ-UHFFFAOYSA-N 1 2 208.261 1.654 20 0 BDADLO CC(C)c1cc(C(=O)OCc2c[nH+]cn2C)n[nH]1 ZINC000754685753 585289446 /nfs/dbraw/zinc/28/94/46/585289446.db2.gz QLTXEAKIFYGVKU-UHFFFAOYSA-N 1 2 248.286 1.624 20 0 BDADLO Cc1ocnc1C(=O)OCc1c[nH+]cn1C ZINC000754685289 585289529 /nfs/dbraw/zinc/28/95/29/585289529.db2.gz SDSDEBKJVSFZND-UHFFFAOYSA-N 1 2 221.216 1.074 20 0 BDADLO C[C@H]1CC[N@H+](Cn2ccsc2=O)CCS1 ZINC000754881044 585291991 /nfs/dbraw/zinc/29/19/91/585291991.db2.gz DQMFNZABOHXUER-VIFPVBQESA-N 1 2 244.385 1.695 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2ccsc2=O)CCS1 ZINC000754881044 585291992 /nfs/dbraw/zinc/29/19/92/585291992.db2.gz DQMFNZABOHXUER-VIFPVBQESA-N 1 2 244.385 1.695 20 0 BDADLO CCC1(C(=O)Nc2cc[nH+]cc2C)COC1 ZINC000755345263 585297879 /nfs/dbraw/zinc/29/78/79/585297879.db2.gz JEHBEDLKMGPEDP-UHFFFAOYSA-N 1 2 220.272 1.177 20 0 BDADLO COC(=O)c1ncccc1OCc1c[nH+]cn1C ZINC000755821521 585308199 /nfs/dbraw/zinc/30/81/99/585308199.db2.gz RKGGIGYYKDWPLB-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO CN(C)c1cc(COC(=O)C2=COCC2)cc[nH+]1 ZINC000755889093 585309347 /nfs/dbraw/zinc/30/93/47/585309347.db2.gz JYQUWMCRPMFSMV-UHFFFAOYSA-N 1 2 248.282 1.495 20 0 BDADLO C/C=C\C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756138562 585315099 /nfs/dbraw/zinc/31/50/99/585315099.db2.gz BCISGKVDVKVQFA-UMBAGQNISA-N 1 2 219.288 1.312 20 0 BDADLO C/C=C\C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756138566 585315134 /nfs/dbraw/zinc/31/51/34/585315134.db2.gz BCISGKVDVKVQFA-XOULXFPDSA-N 1 2 219.288 1.312 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C(=O)C(C)(C)C ZINC000756147410 585315233 /nfs/dbraw/zinc/31/52/33/585315233.db2.gz PTEGXGYLZDGBJK-AOOOYVTPSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C(=O)C(C)(C)C ZINC000756147410 585315234 /nfs/dbraw/zinc/31/52/34/585315234.db2.gz PTEGXGYLZDGBJK-AOOOYVTPSA-N 1 2 240.347 1.153 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCCOC(C)(C)C ZINC000756885169 585324585 /nfs/dbraw/zinc/32/45/85/585324585.db2.gz LRVBRKXQTKNNCR-VIFPVBQESA-N 1 2 232.324 1.725 20 0 BDADLO Cc1ccccc1OCC[NH2+][C@]1(C)CCOC1=O ZINC000839606885 585331941 /nfs/dbraw/zinc/33/19/41/585331941.db2.gz USBVMHNBJMPPQT-CQSZACIVSA-N 1 2 249.310 1.669 20 0 BDADLO CS[C@@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000757465701 585338080 /nfs/dbraw/zinc/33/80/80/585338080.db2.gz PEZWQPIJXPYSLK-QMMMGPOBSA-N 1 2 228.317 1.605 20 0 BDADLO CON(C(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000757630119 585343182 /nfs/dbraw/zinc/34/31/82/585343182.db2.gz RNSMANVASZRESD-UHFFFAOYSA-N 1 2 223.276 1.216 20 0 BDADLO CCc1noc(C)c1C[N@H+](CC)CC(=O)NC ZINC000757845503 585345794 /nfs/dbraw/zinc/34/57/94/585345794.db2.gz YTDPJVGCTFZUCE-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO CCc1noc(C)c1C[N@@H+](CC)CC(=O)NC ZINC000757845503 585345795 /nfs/dbraw/zinc/34/57/95/585345795.db2.gz YTDPJVGCTFZUCE-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO Cc1cc(NC(=O)c2cnco2)cc[nH+]1 ZINC000759077149 585364189 /nfs/dbraw/zinc/36/41/89/585364189.db2.gz RKSPUULVGYTYJG-UHFFFAOYSA-N 1 2 203.201 1.052 20 0 BDADLO FCCN1CC[NH+](Cc2ccco2)CC1 ZINC000759332668 585368506 /nfs/dbraw/zinc/36/85/06/585368506.db2.gz PWKYQVGMRNCTRQ-UHFFFAOYSA-N 1 2 212.268 1.367 20 0 BDADLO C[N@H+](CCF)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000759346085 585370247 /nfs/dbraw/zinc/37/02/47/585370247.db2.gz WHQXUQWHAGECSW-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO C[N@@H+](CCF)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000759346085 585370248 /nfs/dbraw/zinc/37/02/48/585370248.db2.gz WHQXUQWHAGECSW-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000759398766 585372151 /nfs/dbraw/zinc/37/21/51/585372151.db2.gz DSOVLRUHSXNKDS-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000759398766 585372152 /nfs/dbraw/zinc/37/21/52/585372152.db2.gz DSOVLRUHSXNKDS-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCc1ccncc1 ZINC000759403180 585372158 /nfs/dbraw/zinc/37/21/58/585372158.db2.gz UOOCFJDHZFNTDU-UHFFFAOYSA-N 1 2 245.282 1.491 20 0 BDADLO CCC(=CC(=O)OCC[NH+]1CCOCC1)CC ZINC000759452648 585373323 /nfs/dbraw/zinc/37/33/23/585373323.db2.gz QCORWHZWENXCKW-UHFFFAOYSA-N 1 2 241.331 1.608 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)C1CC(O)C1 ZINC000759873403 585382151 /nfs/dbraw/zinc/38/21/51/585382151.db2.gz MNEAAVQZCUPEHC-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)C1CC(O)C1 ZINC000759873403 585382152 /nfs/dbraw/zinc/38/21/52/585382152.db2.gz MNEAAVQZCUPEHC-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO CCONC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000759989563 585383934 /nfs/dbraw/zinc/38/39/34/585383934.db2.gz YQULUIBYWYDTLB-UHFFFAOYSA-N 1 2 220.232 1.407 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000809744311 585384933 /nfs/dbraw/zinc/38/49/33/585384933.db2.gz FOOFNMMVCBIVBG-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc[nH]1 ZINC000760320721 585390088 /nfs/dbraw/zinc/39/00/88/585390088.db2.gz JGRLGVHYEKBJJP-VIFPVBQESA-N 1 2 247.302 1.309 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2nonc2C)n1 ZINC000809744810 585391777 /nfs/dbraw/zinc/39/17/77/585391777.db2.gz DRYYQTGSJRUHOR-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000761048467 585404312 /nfs/dbraw/zinc/40/43/12/585404312.db2.gz FBDHIPZZMMCFHB-SSDOTTSWSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000761048467 585404313 /nfs/dbraw/zinc/40/43/13/585404313.db2.gz FBDHIPZZMMCFHB-SSDOTTSWSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761057330 585404371 /nfs/dbraw/zinc/40/43/71/585404371.db2.gz PWYLHTSJERYTHA-ZETCQYMHSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761057330 585404372 /nfs/dbraw/zinc/40/43/72/585404372.db2.gz PWYLHTSJERYTHA-ZETCQYMHSA-N 1 2 235.209 1.762 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054692 585404622 /nfs/dbraw/zinc/40/46/22/585404622.db2.gz UEFSPFJKRFLYFL-BQBZGAKWSA-N 1 2 223.194 1.186 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054692 585404623 /nfs/dbraw/zinc/40/46/23/585404623.db2.gz UEFSPFJKRFLYFL-BQBZGAKWSA-N 1 2 223.194 1.186 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761090465 585407912 /nfs/dbraw/zinc/40/79/12/585407912.db2.gz KGCHPKWXSMNMME-DTWKUNHWSA-N 1 2 221.304 1.961 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761090465 585407913 /nfs/dbraw/zinc/40/79/13/585407913.db2.gz KGCHPKWXSMNMME-DTWKUNHWSA-N 1 2 221.304 1.961 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000761098382 585409099 /nfs/dbraw/zinc/40/90/99/585409099.db2.gz WJRSBLCLERUNHA-BDAKNGLRSA-N 1 2 221.260 1.016 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000761098382 585409100 /nfs/dbraw/zinc/40/91/00/585409100.db2.gz WJRSBLCLERUNHA-BDAKNGLRSA-N 1 2 221.260 1.016 20 0 BDADLO S=C(NCc1ccn2cc[nH+]c2c1)NC1CC1 ZINC000761839501 585419672 /nfs/dbraw/zinc/41/96/72/585419672.db2.gz WCCWJZMHQZEFDK-UHFFFAOYSA-N 1 2 246.339 1.461 20 0 BDADLO CC(=O)CCCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000762889324 585439025 /nfs/dbraw/zinc/43/90/25/585439025.db2.gz HYUYIMQZZOSHQM-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CC(=O)CCCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000762889324 585439026 /nfs/dbraw/zinc/43/90/26/585439026.db2.gz HYUYIMQZZOSHQM-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO c1nc(C[N@@H+]2CCCC[C@H]2C2OCCO2)co1 ZINC000762989368 585440979 /nfs/dbraw/zinc/44/09/79/585440979.db2.gz HWUMOTYWGAOSLP-NSHDSACASA-N 1 2 238.287 1.402 20 0 BDADLO c1nc(C[N@H+]2CCCC[C@H]2C2OCCO2)co1 ZINC000762989368 585440980 /nfs/dbraw/zinc/44/09/80/585440980.db2.gz HWUMOTYWGAOSLP-NSHDSACASA-N 1 2 238.287 1.402 20 0 BDADLO Cc1ncsc1C(=O)OCCn1cc[nH+]c1 ZINC000763121305 585443655 /nfs/dbraw/zinc/44/36/55/585443655.db2.gz ZGRCOGCIAVQSGD-UHFFFAOYSA-N 1 2 237.284 1.505 20 0 BDADLO C[C@H]1[N@H+](CN2CCCC2=O)CCOC1(C)C ZINC000763206525 585444359 /nfs/dbraw/zinc/44/43/59/585444359.db2.gz YPICFZXCFHXCGY-SNVBAGLBSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1[N@@H+](CN2CCCC2=O)CCOC1(C)C ZINC000763206525 585444360 /nfs/dbraw/zinc/44/43/60/585444360.db2.gz YPICFZXCFHXCGY-SNVBAGLBSA-N 1 2 226.320 1.066 20 0 BDADLO C/C=C/C=C\C(=O)OCCCn1cc[nH+]c1 ZINC000763286297 585445770 /nfs/dbraw/zinc/44/57/70/585445770.db2.gz CHPJCEVUEZPEAT-ZPYFUIHZSA-N 1 2 220.272 1.949 20 0 BDADLO CCOC(=O)[C@@H](C)NCc1cccc2[nH+]ccn21 ZINC000763275532 585445876 /nfs/dbraw/zinc/44/58/76/585445876.db2.gz AZXSGBAVQDAECY-SNVBAGLBSA-N 1 2 247.298 1.376 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000763287934 585446040 /nfs/dbraw/zinc/44/60/40/585446040.db2.gz PUFWPIZNRPCBML-NXEZZACHSA-N 1 2 208.261 1.472 20 0 BDADLO CC(C)=CC(=O)OCCCn1cc[nH+]c1 ZINC000763289561 585446106 /nfs/dbraw/zinc/44/61/06/585446106.db2.gz SSLFGCNJCZLMPW-UHFFFAOYSA-N 1 2 208.261 1.783 20 0 BDADLO CC(C)[N@H+](C)Cc1nc([C@]2(C)CCCO2)no1 ZINC000763323456 585446303 /nfs/dbraw/zinc/44/63/03/585446303.db2.gz OJUNYLPWKGPHRY-LBPRGKRZSA-N 1 2 239.319 1.935 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc([C@]2(C)CCCO2)no1 ZINC000763323456 585446304 /nfs/dbraw/zinc/44/63/04/585446304.db2.gz OJUNYLPWKGPHRY-LBPRGKRZSA-N 1 2 239.319 1.935 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)CCCF ZINC000887142332 585447422 /nfs/dbraw/zinc/44/74/22/585447422.db2.gz FVYXZGOVRLPECE-MRVPVSSYSA-N 1 2 200.261 1.168 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)CCCF ZINC000887142332 585447423 /nfs/dbraw/zinc/44/74/23/585447423.db2.gz FVYXZGOVRLPECE-MRVPVSSYSA-N 1 2 200.261 1.168 20 0 BDADLO O=C1O[C@@H](C[N@H+]2CCC[C@H]2C(F)F)CC12CC2 ZINC000763732012 585453455 /nfs/dbraw/zinc/45/34/55/585453455.db2.gz BUGKONMXZLNPNO-BDAKNGLRSA-N 1 2 245.269 1.812 20 0 BDADLO O=C1O[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)CC12CC2 ZINC000763732012 585453456 /nfs/dbraw/zinc/45/34/56/585453456.db2.gz BUGKONMXZLNPNO-BDAKNGLRSA-N 1 2 245.269 1.812 20 0 BDADLO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](F)C(F)(F)F ZINC000764508176 585467058 /nfs/dbraw/zinc/46/70/58/585467058.db2.gz QHZNIEBJBOCHQD-BQBZGAKWSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@@H](CC[NH+](C)C)NC(=O)C(F)C(F)(F)F ZINC000764508176 585467059 /nfs/dbraw/zinc/46/70/59/585467059.db2.gz QHZNIEBJBOCHQD-BQBZGAKWSA-N 1 2 244.232 1.343 20 0 BDADLO CC[N@@H+]1C[C@@H](C)N(C(=O)C(F)(F)F)C[C@@H]1C ZINC000765932521 585493957 /nfs/dbraw/zinc/49/39/57/585493957.db2.gz ZSEDCPJKBBLATI-JGVFFNPUSA-N 1 2 238.253 1.490 20 0 BDADLO CC[N@H+]1C[C@@H](C)N(C(=O)C(F)(F)F)C[C@@H]1C ZINC000765932521 585493958 /nfs/dbraw/zinc/49/39/58/585493958.db2.gz ZSEDCPJKBBLATI-JGVFFNPUSA-N 1 2 238.253 1.490 20 0 BDADLO CC[N@@H+]1C[C@H](C)N(C(=O)C(F)(F)F)C[C@@H]1C ZINC000765932523 585493968 /nfs/dbraw/zinc/49/39/68/585493968.db2.gz ZSEDCPJKBBLATI-YUMQZZPRSA-N 1 2 238.253 1.490 20 0 BDADLO CC[N@H+]1C[C@H](C)N(C(=O)C(F)(F)F)C[C@@H]1C ZINC000765932523 585493969 /nfs/dbraw/zinc/49/39/69/585493969.db2.gz ZSEDCPJKBBLATI-YUMQZZPRSA-N 1 2 238.253 1.490 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC(=O)C1CC1 ZINC000767415158 585519527 /nfs/dbraw/zinc/51/95/27/585519527.db2.gz MTKLSZDUSNEYST-SNVBAGLBSA-N 1 2 241.331 1.628 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC(=O)C1CC1 ZINC000767415158 585519528 /nfs/dbraw/zinc/51/95/28/585519528.db2.gz MTKLSZDUSNEYST-SNVBAGLBSA-N 1 2 241.331 1.628 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cn1cc[nH]c1=S ZINC000767770996 585526093 /nfs/dbraw/zinc/52/60/93/585526093.db2.gz HIRZNSYMTFHPMZ-UHFFFAOYSA-N 1 2 243.376 1.876 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cn1cc[nH]c1=S ZINC000767770996 585526094 /nfs/dbraw/zinc/52/60/94/585526094.db2.gz HIRZNSYMTFHPMZ-UHFFFAOYSA-N 1 2 243.376 1.876 20 0 BDADLO CNC(=O)CSCc1cc[nH+]c(N(C)C)c1 ZINC000767877136 585527163 /nfs/dbraw/zinc/52/71/63/585527163.db2.gz UMLKOOYQVOQQKD-UHFFFAOYSA-N 1 2 239.344 1.127 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCOC1CCC1 ZINC000767909181 585528312 /nfs/dbraw/zinc/52/83/12/585528312.db2.gz IMRBQTXICQCWAA-UHFFFAOYSA-N 1 2 249.314 1.503 20 0 BDADLO CC(C)(F)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000768393874 585537980 /nfs/dbraw/zinc/53/79/80/585537980.db2.gz YGOHLHHRVNTMSU-SNVBAGLBSA-N 1 2 239.294 1.795 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000769192632 585551076 /nfs/dbraw/zinc/55/10/76/585551076.db2.gz OKMPYCVGHMXVRX-SNVBAGLBSA-N 1 2 246.310 1.037 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000769192632 585551077 /nfs/dbraw/zinc/55/10/77/585551077.db2.gz OKMPYCVGHMXVRX-SNVBAGLBSA-N 1 2 246.310 1.037 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H](F)c1ccccc1 ZINC000769579454 585560139 /nfs/dbraw/zinc/56/01/39/585560139.db2.gz NNWLOOORBYVOFF-LLVKDONJSA-N 1 2 233.246 1.737 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H](F)c1ccccc1 ZINC000769579454 585560140 /nfs/dbraw/zinc/56/01/40/585560140.db2.gz NNWLOOORBYVOFF-LLVKDONJSA-N 1 2 233.246 1.737 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000769902620 585566063 /nfs/dbraw/zinc/56/60/63/585566063.db2.gz BZJJBMYYZTUMML-CYBMUJFWSA-N 1 2 239.290 1.349 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1ccc(CF)cc1 ZINC000769902620 585566064 /nfs/dbraw/zinc/56/60/64/585566064.db2.gz BZJJBMYYZTUMML-CYBMUJFWSA-N 1 2 239.290 1.349 20 0 BDADLO Clc1cc(C[N@@H+]2CCn3ncnc3C2)ccn1 ZINC000770685251 585579671 /nfs/dbraw/zinc/57/96/71/585579671.db2.gz FPXWBPZVUPNRBH-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cc(C[N@H+]2CCn3ncnc3C2)ccn1 ZINC000770685251 585579672 /nfs/dbraw/zinc/57/96/72/585579672.db2.gz FPXWBPZVUPNRBH-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO c1csc(CC[N@@H+]2CCn3ncnc3C2)c1 ZINC000770685435 585579793 /nfs/dbraw/zinc/57/97/93/585579793.db2.gz JRMPFFRORJIMQN-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO c1csc(CC[N@H+]2CCn3ncnc3C2)c1 ZINC000770685435 585579794 /nfs/dbraw/zinc/57/97/94/585579794.db2.gz JRMPFFRORJIMQN-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO CC(C)OCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770911938 585583816 /nfs/dbraw/zinc/58/38/16/585583816.db2.gz ZHBOPHYGFYAZMH-UHFFFAOYSA-N 1 2 248.282 1.803 20 0 BDADLO CS/C=C\C(=O)OCc1c[nH+]cn1C ZINC000771617773 585597968 /nfs/dbraw/zinc/59/79/68/585597968.db2.gz ZKPGRYCDNJNVGN-ARJAWSKDSA-N 1 2 212.274 1.340 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(F)CCCC1 ZINC000771886892 585603678 /nfs/dbraw/zinc/60/36/78/585603678.db2.gz FNIPEABODROADB-JTQLQIEISA-N 1 2 239.294 1.670 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(O)CCCCC1 ZINC000771898108 585604012 /nfs/dbraw/zinc/60/40/12/585604012.db2.gz MIKPAVRMZWTOCO-UHFFFAOYSA-N 1 2 238.287 1.122 20 0 BDADLO Cc1ccc(COC(=O)Cn2cccn2)c(C)[nH+]1 ZINC000771913190 585604284 /nfs/dbraw/zinc/60/42/84/585604284.db2.gz KBPVJKHYASMUMK-UHFFFAOYSA-N 1 2 245.282 1.638 20 0 BDADLO CCC/C=C/C(=O)OCCn1cc[nH+]c1 ZINC000771917330 585604294 /nfs/dbraw/zinc/60/42/94/585604294.db2.gz GGAMHAGUWJMKEA-SNAWJCMRSA-N 1 2 208.261 1.783 20 0 BDADLO CS/C=C/C(=O)OCCn1cc[nH+]c1 ZINC000772000778 585606668 /nfs/dbraw/zinc/60/66/68/585606668.db2.gz HTQMMBQXCBVGEX-FARCUNLSSA-N 1 2 212.274 1.303 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1Cc2ccccc21 ZINC000771977649 585605833 /nfs/dbraw/zinc/60/58/33/585605833.db2.gz VSOUUTKXHYQQPR-CYBMUJFWSA-N 1 2 242.278 1.766 20 0 BDADLO O=C(/C=C\C1CC1)OCCn1cc[nH+]c1 ZINC000771982657 585606172 /nfs/dbraw/zinc/60/61/72/585606172.db2.gz XPUWJRJJBRQGOM-ARJAWSKDSA-N 1 2 206.245 1.393 20 0 BDADLO COC[C@@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000771992285 585606411 /nfs/dbraw/zinc/60/64/11/585606411.db2.gz GKGXPMYOMCEVAS-JTQLQIEISA-N 1 2 226.276 1.099 20 0 BDADLO CC(C)=C(C)C(=O)OCCn1cc[nH+]c1 ZINC000771998057 585606491 /nfs/dbraw/zinc/60/64/91/585606491.db2.gz ZTFZYGZADBUILX-UHFFFAOYSA-N 1 2 208.261 1.783 20 0 BDADLO CC1(OCC(=O)OCCn2cc[nH+]c2)CCC1 ZINC000772012920 585607041 /nfs/dbraw/zinc/60/70/41/585607041.db2.gz KHLZVRCDILHBSQ-UHFFFAOYSA-N 1 2 238.287 1.386 20 0 BDADLO CO[C@@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772037768 585607609 /nfs/dbraw/zinc/60/76/09/585607609.db2.gz FONIROJBDRBKPT-JTQLQIEISA-N 1 2 223.272 1.777 20 0 BDADLO Cc1ccc(COC(=O)C(C)(C)CO)c(C)[nH+]1 ZINC000772074848 585608098 /nfs/dbraw/zinc/60/80/98/585608098.db2.gz ICKDQZFUKDJLQB-UHFFFAOYSA-N 1 2 237.299 1.760 20 0 BDADLO CC[C@@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805470575 585623093 /nfs/dbraw/zinc/62/30/93/585623093.db2.gz YVZWXQDZEAHHGT-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805470575 585623094 /nfs/dbraw/zinc/62/30/94/585623094.db2.gz YVZWXQDZEAHHGT-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCC(C)C)C1 ZINC000805474578 585627144 /nfs/dbraw/zinc/62/71/44/585627144.db2.gz QSNRLECMUGQVFR-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCCC(C)C)C1 ZINC000805474578 585627145 /nfs/dbraw/zinc/62/71/45/585627145.db2.gz QSNRLECMUGQVFR-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC(=O)c1ccc(C(=O)OCCn2cc[nH+]c2)o1 ZINC000773687203 585642301 /nfs/dbraw/zinc/64/23/01/585642301.db2.gz NZQQWEVLQMPYKK-UHFFFAOYSA-N 1 2 248.238 1.536 20 0 BDADLO C/C=C(\C)C(=O)NCCc1c[nH+]cn1C ZINC000773828757 585644532 /nfs/dbraw/zinc/64/45/32/585644532.db2.gz FDZDOOUIGTUIHT-RUDMXATFSA-N 1 2 207.277 1.045 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCc1c(C)noc1C ZINC000774774651 585665588 /nfs/dbraw/zinc/66/55/88/585665588.db2.gz RHIMLFOKWGQRSN-VIFPVBQESA-N 1 2 241.291 1.367 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOC1CCCC1 ZINC000775273550 585674583 /nfs/dbraw/zinc/67/45/83/585674583.db2.gz JXOKBGZPAKJXLU-UHFFFAOYSA-N 1 2 237.303 1.654 20 0 BDADLO CCc1cc(C[NH2+][C@@H](CC)c2nccn2C)[nH]n1 ZINC000775396848 585677599 /nfs/dbraw/zinc/67/75/99/585677599.db2.gz VMTKFOTXHMVYEI-LBPRGKRZSA-N 1 2 247.346 1.947 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC[C@@H]2C)nc1 ZINC000775569922 585680497 /nfs/dbraw/zinc/68/04/97/585680497.db2.gz IODRTMYGHDGCMS-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC[C@@H]2C)nc1 ZINC000775569922 585680498 /nfs/dbraw/zinc/68/04/98/585680498.db2.gz IODRTMYGHDGCMS-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)c(C)n1 ZINC000775592705 585681159 /nfs/dbraw/zinc/68/11/59/585681159.db2.gz XQLHGAMHXQHIKD-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)c(C)n1 ZINC000775592705 585681160 /nfs/dbraw/zinc/68/11/60/585681160.db2.gz XQLHGAMHXQHIKD-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C2CC=CC2)C1 ZINC000776307419 585695516 /nfs/dbraw/zinc/69/55/16/585695516.db2.gz UIISWDFGFCIRDW-UHFFFAOYSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1cn[nH]c1 ZINC000859251940 589024758 /nfs/dbraw/zinc/02/47/58/589024758.db2.gz KGOKGMPTJPGDDU-ZETCQYMHSA-N 1 2 239.710 1.647 20 0 BDADLO COCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776835810 585705943 /nfs/dbraw/zinc/70/59/43/585705943.db2.gz FLQIYUDPVVEUFN-UHFFFAOYSA-N 1 2 233.271 1.053 20 0 BDADLO Cl/C=C(/Cl)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776872522 585706442 /nfs/dbraw/zinc/70/64/42/585706442.db2.gz AWBSEXADSGNSHT-IPQKIJNHSA-N 1 2 247.129 1.844 20 0 BDADLO Cl/C=C(/Cl)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776872522 585706443 /nfs/dbraw/zinc/70/64/43/585706443.db2.gz AWBSEXADSGNSHT-IPQKIJNHSA-N 1 2 247.129 1.844 20 0 BDADLO O=C(NCC(F)F)c1cccc2[nH+]ccn21 ZINC000776977442 585707189 /nfs/dbraw/zinc/70/71/89/585707189.db2.gz HSHMFZJDXXMRNI-UHFFFAOYSA-N 1 2 225.198 1.329 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CN2C[C@@H](C)CC2=O)CCO1 ZINC000777969899 585724730 /nfs/dbraw/zinc/72/47/30/585724730.db2.gz VSAQUTKIZGRMTG-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CN2C[C@@H](C)CC2=O)CCO1 ZINC000777969899 585724731 /nfs/dbraw/zinc/72/47/31/585724731.db2.gz VSAQUTKIZGRMTG-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000777966555 585724898 /nfs/dbraw/zinc/72/48/98/585724898.db2.gz NLEOJZUVIHANBR-TUAOUCFPSA-N 1 2 242.338 1.882 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000777966555 585724899 /nfs/dbraw/zinc/72/48/99/585724899.db2.gz NLEOJZUVIHANBR-TUAOUCFPSA-N 1 2 242.338 1.882 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(F)nc2)[nH]1 ZINC000778171501 585726794 /nfs/dbraw/zinc/72/67/94/585726794.db2.gz JUECOBQTCNNTIU-QMMMGPOBSA-N 1 2 249.293 1.752 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778239483 585728747 /nfs/dbraw/zinc/72/87/47/585728747.db2.gz YPIBYLXRSCURPX-QEBWYVITSA-N 1 2 229.295 1.786 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778239483 585728748 /nfs/dbraw/zinc/72/87/48/585728748.db2.gz YPIBYLXRSCURPX-QEBWYVITSA-N 1 2 229.295 1.786 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000778248205 585729257 /nfs/dbraw/zinc/72/92/57/585729257.db2.gz RBWKXHLVAVWNAS-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000778248205 585729258 /nfs/dbraw/zinc/72/92/58/585729258.db2.gz RBWKXHLVAVWNAS-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H](F)Cc1ccccc1 ZINC000778269286 585730139 /nfs/dbraw/zinc/73/01/39/585730139.db2.gz KYTQNMZVYMOOOP-LLVKDONJSA-N 1 2 247.273 1.607 20 0 BDADLO CS/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094635 585745054 /nfs/dbraw/zinc/74/50/54/585745054.db2.gz DLEZFOCQHPPNKI-XGLGWPIMSA-N 1 2 237.328 1.191 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncnc2)C[C@H]1F ZINC000779148254 585745765 /nfs/dbraw/zinc/74/57/65/585745765.db2.gz HDNPSXOMVFQEAF-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncnc2)C[C@H]1F ZINC000779148254 585745766 /nfs/dbraw/zinc/74/57/66/585745766.db2.gz HDNPSXOMVFQEAF-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO COCCOc1ccc([NH2+][C@@H](C)CCO)cc1 ZINC000779416933 585754161 /nfs/dbraw/zinc/75/41/61/585754161.db2.gz IVRCMPLIKLAPSB-NSHDSACASA-N 1 2 239.315 1.895 20 0 BDADLO CC[C@H](CO)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000779748184 585760860 /nfs/dbraw/zinc/76/08/60/585760860.db2.gz OKBVMSSPYDKTGS-SECBINFHSA-N 1 2 237.303 1.105 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1c[nH+]ccc1OC ZINC000779752733 585761026 /nfs/dbraw/zinc/76/10/26/585761026.db2.gz HLYATWADXYTILP-QMMMGPOBSA-N 1 2 224.260 1.047 20 0 BDADLO Cc1cnc(C(=O)NCc2c[nH+]c[nH]2)c(C)c1 ZINC000780535107 585780105 /nfs/dbraw/zinc/78/01/05/585780105.db2.gz CVXGJCULXMVSKX-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1cnc(C(=O)NCc2c[nH]c[nH+]2)c(C)c1 ZINC000780535107 585780106 /nfs/dbraw/zinc/78/01/06/585780106.db2.gz CVXGJCULXMVSKX-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1nc(N[C@@H](CO)C2CC2)c2c([nH+]1)CCCC2 ZINC000782141876 585808369 /nfs/dbraw/zinc/80/83/69/585808369.db2.gz MMUOWBWCNYAKIV-ZDUSSCGKSA-N 1 2 247.342 1.847 20 0 BDADLO CCOCCO[NH+]=C(N)c1cccc(F)c1 ZINC000782319843 585814793 /nfs/dbraw/zinc/81/47/93/585814793.db2.gz BJDHPNKCQQDSBX-UHFFFAOYSA-N 1 2 226.251 1.709 20 0 BDADLO OC[C@@]12C[C@@H]1CN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000782405225 585817750 /nfs/dbraw/zinc/81/77/50/585817750.db2.gz GMRZWCKBIONSOY-RNCFNFMXSA-N 1 2 229.283 1.382 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)C1=CCCCC1 ZINC000782447519 585818496 /nfs/dbraw/zinc/81/84/96/585818496.db2.gz QXIKYIYVIXEKTE-UHFFFAOYSA-N 1 2 239.315 1.362 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(C)n1 ZINC000782585055 585820754 /nfs/dbraw/zinc/82/07/54/585820754.db2.gz MKASGJQOOAHTOC-NSHDSACASA-N 1 2 247.342 1.361 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(C)n1 ZINC000782585055 585820755 /nfs/dbraw/zinc/82/07/55/585820755.db2.gz MKASGJQOOAHTOC-NSHDSACASA-N 1 2 247.342 1.361 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C/C=C/c1ccccc1 ZINC000782588575 585820924 /nfs/dbraw/zinc/82/09/24/585820924.db2.gz XQEIGYYRPXTANX-YSKGHYERSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C/C=C/c1ccccc1 ZINC000782588575 585820925 /nfs/dbraw/zinc/82/09/25/585820925.db2.gz XQEIGYYRPXTANX-YSKGHYERSA-N 1 2 244.338 1.862 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)n1 ZINC000782585835 585821129 /nfs/dbraw/zinc/82/11/29/585821129.db2.gz SNEFGPVNYSRTSS-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)n1 ZINC000782585835 585821130 /nfs/dbraw/zinc/82/11/30/585821130.db2.gz SNEFGPVNYSRTSS-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782637031 585823817 /nfs/dbraw/zinc/82/38/17/585823817.db2.gz ZJHBUMWIADANKI-DFAYQTQMSA-N 1 2 249.314 1.322 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782637031 585823818 /nfs/dbraw/zinc/82/38/18/585823818.db2.gz ZJHBUMWIADANKI-DFAYQTQMSA-N 1 2 249.314 1.322 20 0 BDADLO CCO[C@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000782887880 585825495 /nfs/dbraw/zinc/82/54/95/585825495.db2.gz WSFWNJIGSSZASU-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO COC[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000783611112 585838526 /nfs/dbraw/zinc/83/85/26/585838526.db2.gz PNYLMCDYZXVZEC-VIFPVBQESA-N 1 2 234.255 1.526 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783727750 585840899 /nfs/dbraw/zinc/84/08/99/585840899.db2.gz CRVCNWKCCXNXDR-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783727750 585840900 /nfs/dbraw/zinc/84/09/00/585840900.db2.gz CRVCNWKCCXNXDR-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ncccc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783730228 585841221 /nfs/dbraw/zinc/84/12/21/585841221.db2.gz SOLBFIBGXWIZPK-JTQLQIEISA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783730228 585841222 /nfs/dbraw/zinc/84/12/22/585841222.db2.gz SOLBFIBGXWIZPK-JTQLQIEISA-N 1 2 233.315 1.053 20 0 BDADLO COc1ccccc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000783732143 585841370 /nfs/dbraw/zinc/84/13/70/585841370.db2.gz BNRXSJRBIWBXPX-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccccc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000783732143 585841371 /nfs/dbraw/zinc/84/13/71/585841371.db2.gz BNRXSJRBIWBXPX-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO O=C(C[C@H]1CCOC1)OCCCn1cc[nH+]c1 ZINC000783765124 585842642 /nfs/dbraw/zinc/84/26/42/585842642.db2.gz PFZCVRBTUHJYIN-LLVKDONJSA-N 1 2 238.287 1.243 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccncc1F ZINC000783828075 585844221 /nfs/dbraw/zinc/84/42/21/585844221.db2.gz JBKHYGXAMNMVIU-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO O=C(/C=C\C1CC1)OCCCn1cc[nH+]c1 ZINC000783910135 585845768 /nfs/dbraw/zinc/84/57/68/585845768.db2.gz LOJZUUGNTCDBDX-PLNGDYQASA-N 1 2 220.272 1.783 20 0 BDADLO CC1(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000784141409 585851288 /nfs/dbraw/zinc/85/12/88/585851288.db2.gz JIONLHCYYVIISX-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOC[C@@H](C)C2)s1 ZINC000784204248 585852739 /nfs/dbraw/zinc/85/27/39/585852739.db2.gz IIWIILLLIBAPES-VIFPVBQESA-N 1 2 241.360 1.569 20 0 BDADLO CCc1nnc(C[N@H+]2CCOC[C@@H](C)C2)s1 ZINC000784204248 585852740 /nfs/dbraw/zinc/85/27/40/585852740.db2.gz IIWIILLLIBAPES-VIFPVBQESA-N 1 2 241.360 1.569 20 0 BDADLO CS/C=C/C(=O)OCCCn1cc[nH+]c1 ZINC000784215341 585853040 /nfs/dbraw/zinc/85/30/40/585853040.db2.gz ZAMGKNAQYGULOY-FPYGCLRLSA-N 1 2 226.301 1.693 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOCC[C@H]2C)s1 ZINC000784266400 585853802 /nfs/dbraw/zinc/85/38/02/585853802.db2.gz FJDXPQIPSFIHLF-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCOCC[C@H]2C)s1 ZINC000784266400 585853803 /nfs/dbraw/zinc/85/38/03/585853803.db2.gz FJDXPQIPSFIHLF-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCC[C@@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000784284620 585854560 /nfs/dbraw/zinc/85/45/60/585854560.db2.gz UVLVNPPDSQUTHZ-GFCCVEGCSA-N 1 2 240.303 1.368 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C/C=C\Cl ZINC000784356348 585857102 /nfs/dbraw/zinc/85/71/02/585857102.db2.gz NCKLPSRUVHPZLF-OWPBXUSHSA-N 1 2 243.734 1.809 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C/C=C\Cl ZINC000784356348 585857103 /nfs/dbraw/zinc/85/71/03/585857103.db2.gz NCKLPSRUVHPZLF-OWPBXUSHSA-N 1 2 243.734 1.809 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccoc2)C[C@@H](C)O1 ZINC000784666864 585865352 /nfs/dbraw/zinc/86/53/52/585865352.db2.gz BDFCFWMIMXLKRQ-ZYHUDNBSSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccoc2)C[C@@H](C)O1 ZINC000784666864 585865353 /nfs/dbraw/zinc/86/53/53/585865353.db2.gz BDFCFWMIMXLKRQ-ZYHUDNBSSA-N 1 2 225.288 1.515 20 0 BDADLO C[C@H]1C[C@H](C(=O)OCCCn2cc[nH+]c2)CO1 ZINC000784876469 585867468 /nfs/dbraw/zinc/86/74/68/585867468.db2.gz SCIFGAUKGWSUNK-QWRGUYRKSA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)/C=C/C(=O)OCC[NH+]1CCOCC1 ZINC000785071626 585870305 /nfs/dbraw/zinc/87/03/05/585870305.db2.gz ZFLZRBWUIGWHOA-ONEGZZNKSA-N 1 2 227.304 1.074 20 0 BDADLO C[C@H](CO)[N@@H+](C/C(Cl)=C\Cl)C[C@H](C)O ZINC000785534386 585875306 /nfs/dbraw/zinc/87/53/06/585875306.db2.gz KRWZTGDSOTXTJR-CIHYDNDWSA-N 1 2 242.146 1.369 20 0 BDADLO C[C@H](CO)[N@H+](C/C(Cl)=C\Cl)C[C@H](C)O ZINC000785534386 585875307 /nfs/dbraw/zinc/87/53/07/585875307.db2.gz KRWZTGDSOTXTJR-CIHYDNDWSA-N 1 2 242.146 1.369 20 0 BDADLO C[C@@H](c1nc(Cc2cccnc2)no1)[NH+](C)C ZINC000785585110 585876168 /nfs/dbraw/zinc/87/61/68/585876168.db2.gz YHPYRRWGIFFNOR-VIFPVBQESA-N 1 2 232.287 1.678 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785742867 585879327 /nfs/dbraw/zinc/87/93/27/585879327.db2.gz PHYBRPNUOMZKAS-WCABBAIRSA-N 1 2 227.304 1.380 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785742867 585879328 /nfs/dbraw/zinc/87/93/28/585879328.db2.gz PHYBRPNUOMZKAS-WCABBAIRSA-N 1 2 227.304 1.380 20 0 BDADLO Cc1ccc(COC(=O)Cc2ccon2)c(C)[nH+]1 ZINC000786011550 585885250 /nfs/dbraw/zinc/88/52/50/585885250.db2.gz PCZDXXXIKVSTFZ-UHFFFAOYSA-N 1 2 246.266 1.972 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC[C@@H]1CCCO1 ZINC000786741773 585897127 /nfs/dbraw/zinc/89/71/27/585897127.db2.gz HDNMLBLJRMXARL-JTQLQIEISA-N 1 2 230.308 1.479 20 0 BDADLO CCOC(CCNc1cc(C)[nH+]cn1)OCC ZINC000786823331 585897678 /nfs/dbraw/zinc/89/76/78/585897678.db2.gz KEHZJPDNLFCWKY-UHFFFAOYSA-N 1 2 239.319 1.986 20 0 BDADLO O=C(NCCC1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000787114825 585901607 /nfs/dbraw/zinc/90/16/07/585901607.db2.gz NOUOFSKISDFOTF-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1cnc(C(=O)OCc2cc[nH+]c(N)c2)cn1 ZINC000787579451 585912421 /nfs/dbraw/zinc/91/24/21/585912421.db2.gz WEPLVFOBCWQHHZ-UHFFFAOYSA-N 1 2 244.254 1.119 20 0 BDADLO Cc1ccoc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787591121 585912595 /nfs/dbraw/zinc/91/25/95/585912595.db2.gz JTXYVXGSLAWZCF-UHFFFAOYSA-N 1 2 232.239 1.922 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc2[nH+]ccn21 ZINC000787722040 585914822 /nfs/dbraw/zinc/91/48/22/585914822.db2.gz YBQBHWPAPDXBKO-IWIIMEHWSA-N 1 2 241.294 1.863 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000787965347 585917838 /nfs/dbraw/zinc/91/78/38/585917838.db2.gz YNQADJNXDGVTOL-ZJUUUORDSA-N 1 2 215.293 1.093 20 0 BDADLO CONC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000788273500 585920740 /nfs/dbraw/zinc/92/07/40/585920740.db2.gz FTKGWJPAXCINKN-LLVKDONJSA-N 1 2 222.288 1.357 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000788779221 585930472 /nfs/dbraw/zinc/93/04/72/585930472.db2.gz QYDMQMAEBOSMDL-GFLSPSCZSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000788779221 585930473 /nfs/dbraw/zinc/93/04/73/585930473.db2.gz QYDMQMAEBOSMDL-GFLSPSCZSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000788838466 585931094 /nfs/dbraw/zinc/93/10/94/585931094.db2.gz BMSXMQLXEJHEOH-DWGGBAKOSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000788838466 585931095 /nfs/dbraw/zinc/93/10/95/585931095.db2.gz BMSXMQLXEJHEOH-DWGGBAKOSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000788838469 585931108 /nfs/dbraw/zinc/93/11/08/585931108.db2.gz BMSXMQLXEJHEOH-ZFSPTPKQSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000788838469 585931109 /nfs/dbraw/zinc/93/11/09/585931109.db2.gz BMSXMQLXEJHEOH-ZFSPTPKQSA-N 1 2 240.347 1.180 20 0 BDADLO CN(Cc1cnc2cnccn12)Cc1[nH]cc[nH+]1 ZINC000788833975 585931168 /nfs/dbraw/zinc/93/11/68/585931168.db2.gz YTMGAHVWSDTZEX-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000789562415 585944084 /nfs/dbraw/zinc/94/40/84/585944084.db2.gz AJPLKBUCCFWDFN-QWHCGFSZSA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccoc1 ZINC000789562415 585944085 /nfs/dbraw/zinc/94/40/85/585944085.db2.gz AJPLKBUCCFWDFN-QWHCGFSZSA-N 1 2 249.310 1.850 20 0 BDADLO Cc1cnc(CO[NH+]=C(N)[C@@H]2CCCO2)s1 ZINC000789628697 585947160 /nfs/dbraw/zinc/94/71/60/585947160.db2.gz YKOVTUHEPRLZEC-QMMMGPOBSA-N 1 2 241.316 1.629 20 0 BDADLO NC(=[NH+]OCCCCCCO)[C@@H]1CCCO1 ZINC000789625968 585947198 /nfs/dbraw/zinc/94/71/98/585947198.db2.gz AIRMIWDFVYUEGC-JTQLQIEISA-N 1 2 230.308 1.217 20 0 BDADLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)o1 ZINC000789775450 585949622 /nfs/dbraw/zinc/94/96/22/585949622.db2.gz DLSOKDGACASEFQ-UHFFFAOYSA-N 1 2 234.255 1.721 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CC=CCC1 ZINC000789777814 585949773 /nfs/dbraw/zinc/94/97/73/585949773.db2.gz WSJTWCKJBQJMMQ-NSHDSACASA-N 1 2 234.299 1.862 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C1CC1 ZINC000789787141 585949916 /nfs/dbraw/zinc/94/99/16/585949916.db2.gz FWSOBLMKOFVHFN-UHFFFAOYSA-N 1 2 208.261 1.306 20 0 BDADLO C/C=C/C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790154861 585958660 /nfs/dbraw/zinc/95/86/60/585958660.db2.gz MJZDUVGBJHEKIR-QAVQXKDTSA-N 1 2 232.283 1.637 20 0 BDADLO Cc1c(C[N@H+](C)C/C=C/Cl)cnn1C ZINC000790449435 585964997 /nfs/dbraw/zinc/96/49/97/585964997.db2.gz BNBKUBZCKKREFR-SNAWJCMRSA-N 1 2 213.712 1.913 20 0 BDADLO Cc1c(C[N@@H+](C)C/C=C/Cl)cnn1C ZINC000790449435 585964998 /nfs/dbraw/zinc/96/49/98/585964998.db2.gz BNBKUBZCKKREFR-SNAWJCMRSA-N 1 2 213.712 1.913 20 0 BDADLO COC/C=C\C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000791338811 585977911 /nfs/dbraw/zinc/97/79/11/585977911.db2.gz AYCKVVKVVXFXIA-QZPNVGJNSA-N 1 2 249.314 1.666 20 0 BDADLO COC/C=C\C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000791340081 585978031 /nfs/dbraw/zinc/97/80/31/585978031.db2.gz IOMMABQRIYZADQ-IHWYPQMZSA-N 1 2 249.314 1.318 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)n(C)n1 ZINC000791761992 585987602 /nfs/dbraw/zinc/98/76/02/585987602.db2.gz OLDIROFLYFLBRM-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO CCC[C@@H](O)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000791912709 585991116 /nfs/dbraw/zinc/99/11/16/585991116.db2.gz RFHQVBVBIOYOJD-SNVBAGLBSA-N 1 2 238.287 1.258 20 0 BDADLO CCC[C@H](O)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000791912708 585991136 /nfs/dbraw/zinc/99/11/36/585991136.db2.gz RFHQVBVBIOYOJD-JTQLQIEISA-N 1 2 238.287 1.258 20 0 BDADLO C[C@H](O)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000792116842 585996083 /nfs/dbraw/zinc/99/60/83/585996083.db2.gz FPRONUVSFQPBPO-JQWIXIFHSA-N 1 2 237.299 1.213 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792149403 585996635 /nfs/dbraw/zinc/99/66/35/585996635.db2.gz HJGSHYVFFHPEMK-MNOVXSKESA-N 1 2 234.299 1.999 20 0 BDADLO CC(C)[C@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792142821 585996731 /nfs/dbraw/zinc/99/67/31/585996731.db2.gz XRSJVTRYQRNVSX-LBPRGKRZSA-N 1 2 238.287 1.114 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)ns1 ZINC000792183924 585997171 /nfs/dbraw/zinc/99/71/71/585997171.db2.gz IVRQZHYFOFVGSR-UHFFFAOYSA-N 1 2 249.295 1.786 20 0 BDADLO Cc1oncc1C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000792475038 586000846 /nfs/dbraw/zinc/00/08/46/586000846.db2.gz SMBDRGNSAQNKEB-ZETCQYMHSA-N 1 2 248.290 1.155 20 0 BDADLO CCc1occc1C(=O)OCCc1c[nH+]cn1C ZINC000793250097 586014951 /nfs/dbraw/zinc/01/49/51/586014951.db2.gz MFNXRNRVHBTDDN-UHFFFAOYSA-N 1 2 248.282 1.975 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cscn1 ZINC000793254240 586014976 /nfs/dbraw/zinc/01/49/76/586014976.db2.gz BIJOQBVWTPKFMH-UHFFFAOYSA-N 1 2 237.284 1.276 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCSC1 ZINC000793252541 586015144 /nfs/dbraw/zinc/01/51/44/586015144.db2.gz GKXNKUGEUMOWQX-SECBINFHSA-N 1 2 240.328 1.259 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cccc(F)n1 ZINC000793714544 586025271 /nfs/dbraw/zinc/02/52/71/586025271.db2.gz WOIHSUFLSKZJEK-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cccc(F)n1 ZINC000793714544 586025272 /nfs/dbraw/zinc/02/52/72/586025272.db2.gz WOIHSUFLSKZJEK-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)[nH]1 ZINC000794447875 586039843 /nfs/dbraw/zinc/03/98/43/586039843.db2.gz FCDYQNQVKHYSQJ-BDAKNGLRSA-N 1 2 206.293 1.522 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]3C[C@@H]32)[nH]1 ZINC000794447875 586039844 /nfs/dbraw/zinc/03/98/44/586039844.db2.gz FCDYQNQVKHYSQJ-BDAKNGLRSA-N 1 2 206.293 1.522 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OC[C@H]1CCCO1 ZINC000794521440 586041594 /nfs/dbraw/zinc/04/15/94/586041594.db2.gz CFUYEMMEDGFTNS-GHMZBOCLSA-N 1 2 244.335 1.725 20 0 BDADLO CC1(C)CC(C(=O)NC2=[NH+]CCS2)C1 ZINC000794620301 586045090 /nfs/dbraw/zinc/04/50/90/586045090.db2.gz HDRUBGHVXCMKKY-UHFFFAOYSA-N 1 2 212.318 1.642 20 0 BDADLO CCOC[C@H]([NH2+]CC(=O)OCC(C)C)C(C)C ZINC000794599940 586045371 /nfs/dbraw/zinc/04/53/71/586045371.db2.gz IKJLTGZBSAZLTB-LBPRGKRZSA-N 1 2 245.363 1.836 20 0 BDADLO Cc1nccc(CO[NH+]=C(N)COC(C)C)n1 ZINC000794713992 586046933 /nfs/dbraw/zinc/04/69/33/586046933.db2.gz AJMOCHNIVGVHGU-UHFFFAOYSA-N 1 2 238.291 1.208 20 0 BDADLO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccon1 ZINC000794806273 586049399 /nfs/dbraw/zinc/04/93/99/586049399.db2.gz ZRKWLFAIKBRCOD-NSHDSACASA-N 1 2 232.287 1.575 20 0 BDADLO Cc1cncc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000795686267 586091057 /nfs/dbraw/zinc/09/10/57/586091057.db2.gz VUSMYOCITLWAQF-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cncc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000795686267 586091058 /nfs/dbraw/zinc/09/10/58/586091058.db2.gz VUSMYOCITLWAQF-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cn1cc(C)cnc1=S ZINC000795749311 586091934 /nfs/dbraw/zinc/09/19/34/586091934.db2.gz OXIWPSJMZUDALW-JTQLQIEISA-N 1 2 241.360 1.845 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cn1cc(C)cnc1=S ZINC000795749311 586091935 /nfs/dbraw/zinc/09/19/35/586091935.db2.gz OXIWPSJMZUDALW-JTQLQIEISA-N 1 2 241.360 1.845 20 0 BDADLO CC[N@H+](Cc1cc(Cl)n(C)n1)[C@@H]1CCOC1 ZINC000859310004 589030035 /nfs/dbraw/zinc/03/00/35/589030035.db2.gz APPGWHOYSSRBRK-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1cc(Cl)n(C)n1)[C@@H]1CCOC1 ZINC000859310004 589030036 /nfs/dbraw/zinc/03/00/36/589030036.db2.gz APPGWHOYSSRBRK-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000796077324 586097472 /nfs/dbraw/zinc/09/74/72/586097472.db2.gz NMIUGASZUOHUQA-CJHWANRJSA-N 1 2 231.723 1.620 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000796077324 586097473 /nfs/dbraw/zinc/09/74/73/586097473.db2.gz NMIUGASZUOHUQA-CJHWANRJSA-N 1 2 231.723 1.620 20 0 BDADLO Cc1nccc(C[N@@H+]2CCCC3(C2)OCCO3)n1 ZINC000796448424 586103296 /nfs/dbraw/zinc/10/32/96/586103296.db2.gz JRHZMWCHNJITLW-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1nccc(C[N@H+]2CCCC3(C2)OCCO3)n1 ZINC000796448424 586103297 /nfs/dbraw/zinc/10/32/97/586103297.db2.gz JRHZMWCHNJITLW-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO C[N@H+](Cc1cccnc1Cl)C1(CO)CC1 ZINC000796503476 586105366 /nfs/dbraw/zinc/10/53/66/586105366.db2.gz ZNAPEVUORVMFPC-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO C[N@@H+](Cc1cccnc1Cl)C1(CO)CC1 ZINC000796503476 586105367 /nfs/dbraw/zinc/10/53/67/586105367.db2.gz ZNAPEVUORVMFPC-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO OC1(c2ccccc2)CN(Cc2c[nH+]c[nH]2)C1 ZINC000796622575 586108421 /nfs/dbraw/zinc/10/84/21/586108421.db2.gz ABXGNNXMFUGOAS-UHFFFAOYSA-N 1 2 229.283 1.113 20 0 BDADLO OC1(c2ccccc2)CN(Cc2c[nH]c[nH+]2)C1 ZINC000796622575 586108422 /nfs/dbraw/zinc/10/84/22/586108422.db2.gz ABXGNNXMFUGOAS-UHFFFAOYSA-N 1 2 229.283 1.113 20 0 BDADLO C[N@H+](CC[S@](C)=O)Cc1ccco1 ZINC000798193338 586139652 /nfs/dbraw/zinc/13/96/52/586139652.db2.gz KMZHUKFPHRLHHZ-ZDUSSCGKSA-N 1 2 201.291 1.090 20 0 BDADLO C[N@@H+](CC[S@](C)=O)Cc1ccco1 ZINC000798193338 586139653 /nfs/dbraw/zinc/13/96/53/586139653.db2.gz KMZHUKFPHRLHHZ-ZDUSSCGKSA-N 1 2 201.291 1.090 20 0 BDADLO COC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000799057769 586155391 /nfs/dbraw/zinc/15/53/91/586155391.db2.gz UUKPGCMNAJPLQH-UHFFFAOYSA-N 1 2 235.287 1.278 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000859318525 589031184 /nfs/dbraw/zinc/03/11/84/589031184.db2.gz GGIUUTRYKQNPEW-CYBMUJFWSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000859318525 589031185 /nfs/dbraw/zinc/03/11/85/589031185.db2.gz GGIUUTRYKQNPEW-CYBMUJFWSA-N 1 2 244.354 1.973 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799192946 586166755 /nfs/dbraw/zinc/16/67/55/586166755.db2.gz JDKIZPXPFZPHCK-JTQLQIEISA-N 1 2 220.272 1.044 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799192946 586166756 /nfs/dbraw/zinc/16/67/56/586166756.db2.gz JDKIZPXPFZPHCK-JTQLQIEISA-N 1 2 220.272 1.044 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)OCC(C)C)CCCO1 ZINC000799201392 586167881 /nfs/dbraw/zinc/16/78/81/586167881.db2.gz VXHMZBQCJSISRJ-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)OCC(C)C)CCCO1 ZINC000799201392 586167882 /nfs/dbraw/zinc/16/78/82/586167882.db2.gz VXHMZBQCJSISRJ-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCCC[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000800276820 586208261 /nfs/dbraw/zinc/20/82/61/586208261.db2.gz DRAOSNUXGQNJPS-GFCCVEGCSA-N 1 2 243.347 1.688 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000801563377 586263097 /nfs/dbraw/zinc/26/30/97/586263097.db2.gz OWVSGQKZGVCVLE-ZCFIWIBFSA-N 1 2 233.180 1.905 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000801563377 586263100 /nfs/dbraw/zinc/26/31/00/586263100.db2.gz OWVSGQKZGVCVLE-ZCFIWIBFSA-N 1 2 233.180 1.905 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478005 589039947 /nfs/dbraw/zinc/03/99/47/589039947.db2.gz AMVCVBDVUMIDQL-BJMVGYQFSA-N 1 2 247.294 1.827 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478005 589039949 /nfs/dbraw/zinc/03/99/49/589039949.db2.gz AMVCVBDVUMIDQL-BJMVGYQFSA-N 1 2 247.294 1.827 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000801944306 586281244 /nfs/dbraw/zinc/28/12/44/586281244.db2.gz RYUUYZKAMHQSGR-IUODEOHRSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000801944306 586281246 /nfs/dbraw/zinc/28/12/46/586281246.db2.gz RYUUYZKAMHQSGR-IUODEOHRSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801987475 586285019 /nfs/dbraw/zinc/28/50/19/586285019.db2.gz IUTUCCJBVZJYIX-ZETCQYMHSA-N 1 2 233.218 1.192 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801987475 586285022 /nfs/dbraw/zinc/28/50/22/586285022.db2.gz IUTUCCJBVZJYIX-ZETCQYMHSA-N 1 2 233.218 1.192 20 0 BDADLO O=C(CCc1cccnc1)OCCn1cc[nH+]c1 ZINC000802228388 586296819 /nfs/dbraw/zinc/29/68/19/586296819.db2.gz UMLTUKPSUFGXRM-UHFFFAOYSA-N 1 2 245.282 1.454 20 0 BDADLO Cc1c[nH]cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802241793 586298847 /nfs/dbraw/zinc/29/88/47/586298847.db2.gz AQHZZKKULWDSGT-JTQLQIEISA-N 1 2 240.278 1.524 20 0 BDADLO Cc1c[nH]cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241793 586298849 /nfs/dbraw/zinc/29/88/49/586298849.db2.gz AQHZZKKULWDSGT-JTQLQIEISA-N 1 2 240.278 1.524 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC1(C)C)CC2 ZINC000859510007 589041743 /nfs/dbraw/zinc/04/17/43/589041743.db2.gz AWFBSFFADAKUGB-LLVKDONJSA-N 1 2 247.342 1.765 20 0 BDADLO O=C1[C@H]2CCC[C@H]2CN1C[NH+]1CCSCC1 ZINC000839965637 586304749 /nfs/dbraw/zinc/30/47/49/586304749.db2.gz ONXFUMGFZJFMND-QWRGUYRKSA-N 1 2 240.372 1.251 20 0 BDADLO CCOCCC(=O)OCCCc1[nH+]ccn1C ZINC000802785935 586313846 /nfs/dbraw/zinc/31/38/46/586313846.db2.gz LBKKVJSMFOARFC-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)/C=C/C1CC1 ZINC000802789605 586313881 /nfs/dbraw/zinc/31/38/81/586313881.db2.gz BESZZHCGSOIVQS-VOTSOKGWSA-N 1 2 234.299 1.862 20 0 BDADLO Cc1cnccc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000859568459 589046212 /nfs/dbraw/zinc/04/62/12/589046212.db2.gz XXISVKXFILWKJC-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cnccc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000859568459 589046214 /nfs/dbraw/zinc/04/62/14/589046214.db2.gz XXISVKXFILWKJC-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1CCC(C)(C)C1=O ZINC000840000437 586352231 /nfs/dbraw/zinc/35/22/31/586352231.db2.gz PXEPYUNBYJKCQW-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1CCC(C)(C)C1=O ZINC000840000437 586352234 /nfs/dbraw/zinc/35/22/34/586352234.db2.gz PXEPYUNBYJKCQW-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO C[C@H]1C[C@H]1COC(=O)CCc1ccc(N)[nH+]c1 ZINC000859610481 589048636 /nfs/dbraw/zinc/04/86/36/589048636.db2.gz RMHZRHUWXCBYGY-ONGXEEELSA-N 1 2 234.299 1.796 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2CCO[C@H](C)[C@@H]2C)C[C@H]1C ZINC000840029773 586385481 /nfs/dbraw/zinc/38/54/81/586385481.db2.gz UQJHEFXICVIYJJ-WISYIIOYSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2CCO[C@H](C)[C@@H]2C)C[C@H]1C ZINC000840029773 586385484 /nfs/dbraw/zinc/38/54/84/586385484.db2.gz UQJHEFXICVIYJJ-WISYIIOYSA-N 1 2 240.347 1.168 20 0 BDADLO CCC/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333538 586391604 /nfs/dbraw/zinc/39/16/04/586391604.db2.gz LOKOBDMSALRBRE-ZWNMCFTASA-N 1 2 233.315 1.670 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337192 586392057 /nfs/dbraw/zinc/39/20/57/586392057.db2.gz WLECNUAVCDBMSS-FGUAACIASA-N 1 2 233.315 1.670 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2CC[C@H](C)C2=O)c1 ZINC000840051828 586400268 /nfs/dbraw/zinc/40/02/68/586400268.db2.gz ATTAXMXMDOCZSG-LBPRGKRZSA-N 1 2 249.358 1.766 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2CC[C@H](C)C2=O)c1 ZINC000840051828 586400269 /nfs/dbraw/zinc/40/02/69/586400269.db2.gz ATTAXMXMDOCZSG-LBPRGKRZSA-N 1 2 249.358 1.766 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](CO)C1CC1 ZINC000806535872 586413818 /nfs/dbraw/zinc/41/38/18/586413818.db2.gz ZRIBGSWMSZTFLC-LLVKDONJSA-N 1 2 249.314 1.591 20 0 BDADLO CON(C(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC000807245693 586428401 /nfs/dbraw/zinc/42/84/01/586428401.db2.gz GORPABQMQSSXSE-UHFFFAOYSA-N 1 2 237.303 1.295 20 0 BDADLO CC[NH2+]Cc1noc(-c2cc(F)ccc2O)n1 ZINC000843145639 586445991 /nfs/dbraw/zinc/44/59/91/586445991.db2.gz PSMNEHJXYFGHCR-UHFFFAOYSA-N 1 2 237.234 1.691 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2CC[C@H](F)C2)C[C@H]1C ZINC000840102529 586446585 /nfs/dbraw/zinc/44/65/85/586446585.db2.gz NLIUQXGELDJVPG-BBBLOLIVSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2CC[C@H](F)C2)C[C@H]1C ZINC000840102529 586446586 /nfs/dbraw/zinc/44/65/86/586446586.db2.gz NLIUQXGELDJVPG-BBBLOLIVSA-N 1 2 214.284 1.102 20 0 BDADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1(C)C ZINC000840103819 586446932 /nfs/dbraw/zinc/44/69/32/586446932.db2.gz OXNSITVDNIISHC-SECBINFHSA-N 1 2 228.311 1.635 20 0 BDADLO CC1(C)C(=O)N(C[N@H+]2CC[C@@H](F)C2)C1(C)C ZINC000840103819 586446933 /nfs/dbraw/zinc/44/69/33/586446933.db2.gz OXNSITVDNIISHC-SECBINFHSA-N 1 2 228.311 1.635 20 0 BDADLO O=C1[C@H]2CCC[C@H]2CN1C[N@H+]1CC[C@H](F)C1 ZINC000840115160 586448718 /nfs/dbraw/zinc/44/87/18/586448718.db2.gz YJUJOAZGHAXSGF-DCAQKATOSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@H]2CCC[C@H]2CN1C[N@@H+]1CC[C@H](F)C1 ZINC000840115160 586448719 /nfs/dbraw/zinc/44/87/19/586448719.db2.gz YJUJOAZGHAXSGF-DCAQKATOSA-N 1 2 226.295 1.246 20 0 BDADLO CS[C@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000840117370 586449301 /nfs/dbraw/zinc/44/93/01/586449301.db2.gz UZROXEKJOBIMRN-QMMMGPOBSA-N 1 2 244.389 1.346 20 0 BDADLO CS[C@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000840117370 586449302 /nfs/dbraw/zinc/44/93/02/586449302.db2.gz UZROXEKJOBIMRN-QMMMGPOBSA-N 1 2 244.389 1.346 20 0 BDADLO Cn1c[nH+]c(CNc2cnn(CC(F)F)c2)c1 ZINC000808395615 586471042 /nfs/dbraw/zinc/47/10/42/586471042.db2.gz CINZFOCZQDFRQY-UHFFFAOYSA-N 1 2 241.245 1.494 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC(=O)C(C)C ZINC000808734243 586486152 /nfs/dbraw/zinc/48/61/52/586486152.db2.gz PWMCBUWOCGFHDH-LLVKDONJSA-N 1 2 243.347 1.874 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC(=O)C(C)C ZINC000808734243 586486154 /nfs/dbraw/zinc/48/61/54/586486154.db2.gz PWMCBUWOCGFHDH-LLVKDONJSA-N 1 2 243.347 1.874 20 0 BDADLO CC(C)C(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000808753370 586488182 /nfs/dbraw/zinc/48/81/82/586488182.db2.gz YIPGVBGFCXEONF-GHMZBOCLSA-N 1 2 245.388 1.443 20 0 BDADLO CON(C)C(=O)C[N@@H+]1CCCc2occc2C1 ZINC000808797444 586490283 /nfs/dbraw/zinc/49/02/83/586490283.db2.gz RDASILVOZZWBSP-UHFFFAOYSA-N 1 2 238.287 1.048 20 0 BDADLO CON(C)C(=O)C[N@H+]1CCCc2occc2C1 ZINC000808797444 586490285 /nfs/dbraw/zinc/49/02/85/586490285.db2.gz RDASILVOZZWBSP-UHFFFAOYSA-N 1 2 238.287 1.048 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(c1)C(=O)OC2 ZINC000809195612 586500991 /nfs/dbraw/zinc/50/09/91/586500991.db2.gz GOUQQYUQXULPEE-UHFFFAOYSA-N 1 2 243.266 1.703 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840167530 586503023 /nfs/dbraw/zinc/50/30/23/586503023.db2.gz AXZPFNBQIHODTN-IUCAKERBSA-N 1 2 243.763 1.992 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840167530 586503024 /nfs/dbraw/zinc/50/30/24/586503024.db2.gz AXZPFNBQIHODTN-IUCAKERBSA-N 1 2 243.763 1.992 20 0 BDADLO COCc1ccc(C[NH2+]Cc2nonc2C)o1 ZINC000809744588 586516805 /nfs/dbraw/zinc/51/68/05/586516805.db2.gz SOWDEHJPOAGPIP-UHFFFAOYSA-N 1 2 237.259 1.407 20 0 BDADLO Cn1cc[nH+]c1Cn1cnc(Cl)c1Cl ZINC000809961720 586526808 /nfs/dbraw/zinc/52/68/08/586526808.db2.gz LWUMWRCLYVYHKE-UHFFFAOYSA-N 1 2 231.086 1.972 20 0 BDADLO Cn1ncc(CO[NH+]=C(N)c2cccc(F)c2)n1 ZINC000809994565 586529339 /nfs/dbraw/zinc/52/93/39/586529339.db2.gz ADKSTWWYUAHLFS-UHFFFAOYSA-N 1 2 249.249 1.001 20 0 BDADLO Cc1ncccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000810016279 586531257 /nfs/dbraw/zinc/53/12/57/586531257.db2.gz YWEPWTQMVXBIMM-NSHDSACASA-N 1 2 235.287 1.567 20 0 BDADLO C[C@]1([NH2+]C[C@H](O)CC2CCCC2)CCOC1=O ZINC000810096219 586533508 /nfs/dbraw/zinc/53/35/08/586533508.db2.gz IDOLXGIMZGQHJB-YPMHNXCESA-N 1 2 241.331 1.223 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000810115230 586534727 /nfs/dbraw/zinc/53/47/27/586534727.db2.gz FZVYSSSRLCEBFH-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1cn(C)cn1 ZINC000810168309 586536349 /nfs/dbraw/zinc/53/63/49/586536349.db2.gz WVBSKQZJZNJVQY-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO C[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000810188759 586536624 /nfs/dbraw/zinc/53/66/24/586536624.db2.gz UOAGCALYLQGSDD-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000810188759 586536626 /nfs/dbraw/zinc/53/66/26/586536626.db2.gz UOAGCALYLQGSDD-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188759 586536627 /nfs/dbraw/zinc/53/66/27/586536627.db2.gz UOAGCALYLQGSDD-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188759 586536629 /nfs/dbraw/zinc/53/66/29/586536629.db2.gz UOAGCALYLQGSDD-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC[N@@H+]1C ZINC000810442388 586539207 /nfs/dbraw/zinc/53/92/07/586539207.db2.gz QZUKPHZZGUCXDV-NKWVEPMBSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC[N@H+]1C ZINC000810442388 586539208 /nfs/dbraw/zinc/53/92/08/586539208.db2.gz QZUKPHZZGUCXDV-NKWVEPMBSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000810442388 586539209 /nfs/dbraw/zinc/53/92/09/586539209.db2.gz QZUKPHZZGUCXDV-NKWVEPMBSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000810442388 586539210 /nfs/dbraw/zinc/53/92/10/586539210.db2.gz QZUKPHZZGUCXDV-NKWVEPMBSA-N 1 2 242.216 1.049 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H](F)c1ccccc1 ZINC000810757010 586546407 /nfs/dbraw/zinc/54/64/07/586546407.db2.gz DYCGKVUNSBOEPQ-LBPRGKRZSA-N 1 2 247.273 1.747 20 0 BDADLO CCC/C(C)=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000811933881 586568741 /nfs/dbraw/zinc/56/87/41/586568741.db2.gz IYTINLVBUAESFM-XFFZJAGNSA-N 1 2 233.315 1.972 20 0 BDADLO COCC1(CO[NH+]=C(N)[C@@H](C)OC)CCC1 ZINC000812304853 586573289 /nfs/dbraw/zinc/57/32/89/586573289.db2.gz UAQRWTOKKHKYIZ-SECBINFHSA-N 1 2 230.308 1.336 20 0 BDADLO OCC[C@H](Nc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000840268913 586587118 /nfs/dbraw/zinc/58/71/18/586587118.db2.gz VXAWWCCKYSENGF-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO OCC[C@H](Nc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000840268913 586587119 /nfs/dbraw/zinc/58/71/19/586587119.db2.gz VXAWWCCKYSENGF-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO CC[N@@H+](Cc1nonc1C)C[C@@H](C)OC ZINC000812908999 586588819 /nfs/dbraw/zinc/58/88/19/586588819.db2.gz BGNLSQGOAJKBON-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1nonc1C)C[C@@H](C)OC ZINC000812908999 586588820 /nfs/dbraw/zinc/58/88/20/586588820.db2.gz BGNLSQGOAJKBON-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO COC(=O)c1ccc(NCc2[nH+]ccn2C)nc1 ZINC000813591895 586604005 /nfs/dbraw/zinc/60/40/05/586604005.db2.gz YGTOJZXMKZPGLB-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2CC[C@H](C)C2)C1 ZINC000815215755 586673959 /nfs/dbraw/zinc/67/39/59/586673959.db2.gz VDMFEPLETXDNOS-TUAOUCFPSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2CC[C@H](C)C2)C1 ZINC000815215755 586673960 /nfs/dbraw/zinc/67/39/60/586673960.db2.gz VDMFEPLETXDNOS-TUAOUCFPSA-N 1 2 241.331 1.439 20 0 BDADLO Cc1nc(C(=O)OCc2c[nH+]cn2C)c(C)o1 ZINC000815967592 586700499 /nfs/dbraw/zinc/70/04/99/586700499.db2.gz FXCOQNCJRAHEDC-UHFFFAOYSA-N 1 2 235.243 1.382 20 0 BDADLO Cn1ncc(C[NH+]2CCC(O)CC2)c1Cl ZINC000816481553 586735823 /nfs/dbraw/zinc/73/58/23/586735823.db2.gz AJFHTRWFSPFMEA-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000816808300 586764946 /nfs/dbraw/zinc/76/49/46/586764946.db2.gz JSSWFKZBMCYTNE-JTQLQIEISA-N 1 2 229.283 1.830 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccccc1O ZINC000816831160 586766811 /nfs/dbraw/zinc/76/68/11/586766811.db2.gz IMVHXRXWTOWPQQ-UHFFFAOYSA-N 1 2 217.228 1.297 20 0 BDADLO Cc1occc1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816904926 586770779 /nfs/dbraw/zinc/77/07/79/586770779.db2.gz IKKHNXUVVNMESO-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CC(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816938315 586772268 /nfs/dbraw/zinc/77/22/68/586772268.db2.gz WXDGKOKSPRKIHM-UHFFFAOYSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@@H](C)CONC(=O)Cc1c[nH+]cn1C ZINC000816977214 586776739 /nfs/dbraw/zinc/77/67/39/586776739.db2.gz UJTGKYCUMLIWHJ-SECBINFHSA-N 1 2 225.292 1.057 20 0 BDADLO CC(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817178912 586784859 /nfs/dbraw/zinc/78/48/59/586784859.db2.gz PICJVCKOLXOUJC-UHFFFAOYSA-N 1 2 249.310 1.582 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000817288058 586793139 /nfs/dbraw/zinc/79/31/39/586793139.db2.gz GQOGTULKQONLAQ-GHMZBOCLSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000817288058 586793141 /nfs/dbraw/zinc/79/31/41/586793141.db2.gz GQOGTULKQONLAQ-GHMZBOCLSA-N 1 2 229.320 1.031 20 0 BDADLO O=C1NCC[N@@H+](CCF)[C@H]1CC1CCCCC1 ZINC000817298183 586794243 /nfs/dbraw/zinc/79/42/43/586794243.db2.gz HPQWICHTHCGDOV-LBPRGKRZSA-N 1 2 242.338 1.727 20 0 BDADLO O=C1NCC[N@H+](CCF)[C@H]1CC1CCCCC1 ZINC000817298183 586794244 /nfs/dbraw/zinc/79/42/44/586794244.db2.gz HPQWICHTHCGDOV-LBPRGKRZSA-N 1 2 242.338 1.727 20 0 BDADLO COC/C=C\C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817620960 586814353 /nfs/dbraw/zinc/81/43/53/586814353.db2.gz MPWXJVBGWUUORY-PLNGDYQASA-N 1 2 234.299 1.517 20 0 BDADLO CO[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)C1CC1 ZINC000818084711 586871538 /nfs/dbraw/zinc/87/15/38/586871538.db2.gz GGULZYNPNDYVCJ-VHSXEESVSA-N 1 2 228.292 1.089 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000818230235 586880707 /nfs/dbraw/zinc/88/07/07/586880707.db2.gz ONSMZFOYLKVLEM-QWHCGFSZSA-N 1 2 246.289 1.542 20 0 BDADLO Cc1cccn2c(C[NH2+][C@H](C)C(=O)[O-])c[nH+]c12 ZINC000818963471 586917874 /nfs/dbraw/zinc/91/78/74/586917874.db2.gz CUNYPSXZDCORAQ-SECBINFHSA-N 1 2 233.271 1.205 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1nncn1C ZINC000819145937 586933272 /nfs/dbraw/zinc/93/32/72/586933272.db2.gz QGYJOQPOSLWJFJ-UHFFFAOYSA-N 1 2 220.280 1.205 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C\[C@@H]1CCCO1 ZINC000819346198 586955326 /nfs/dbraw/zinc/95/53/26/586955326.db2.gz UGOSJLCRCXJFIH-LWTINBJPSA-N 1 2 235.287 1.070 20 0 BDADLO CSCC(C)(C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819779063 586993043 /nfs/dbraw/zinc/99/30/43/586993043.db2.gz UVVQVPQHFVXBTB-SSDOTTSWSA-N 1 2 246.401 1.983 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781161 586993670 /nfs/dbraw/zinc/99/36/70/586993670.db2.gz MEIKJFZWDNCHOZ-DJLDLDEBSA-N 1 2 244.360 1.513 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)CC2(C)CC2)S1 ZINC000819782034 586993685 /nfs/dbraw/zinc/99/36/85/586993685.db2.gz MFZSBYAHMJWSAN-SSDOTTSWSA-N 1 2 212.318 1.784 20 0 BDADLO C[C@H](C(=O)[O-])[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000819896072 587001721 /nfs/dbraw/zinc/00/17/21/587001721.db2.gz RYCCLTOJRBIXKW-SNVBAGLBSA-N 1 2 249.314 1.431 20 0 BDADLO CC[C@@H](C)CONC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820279873 587040154 /nfs/dbraw/zinc/04/01/54/587040154.db2.gz SZUJPDURJDXGOM-BRAIEQGRSA-N 1 2 237.303 1.527 20 0 BDADLO COC[C@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820532149 587052931 /nfs/dbraw/zinc/05/29/31/587052931.db2.gz RVOYJORLKJAZMY-SNVBAGLBSA-N 1 2 245.282 1.424 20 0 BDADLO C[NH+](C)[C@@H](CNc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000820535193 587053060 /nfs/dbraw/zinc/05/30/60/587053060.db2.gz ILZGQZGSYUDDGE-NSHDSACASA-N 1 2 249.314 1.532 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2c[nH]nc2C)on1 ZINC000820841125 587076485 /nfs/dbraw/zinc/07/64/85/587076485.db2.gz HJODOJUTEIXBRE-QMMMGPOBSA-N 1 2 236.275 1.566 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C(F)=C1CCC1 ZINC000820858417 587078211 /nfs/dbraw/zinc/07/82/11/587078211.db2.gz YECAPDMHEYPDOU-UHFFFAOYSA-N 1 2 224.235 1.834 20 0 BDADLO CCOC(C[N@@H+]1CCc2nc[nH]c2C1)OCC ZINC000821270299 587104786 /nfs/dbraw/zinc/10/47/86/587104786.db2.gz KNSIJKDAWMSLGQ-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CCOC(C[N@H+]1CCc2nc[nH]c2C1)OCC ZINC000821270299 587104787 /nfs/dbraw/zinc/10/47/87/587104787.db2.gz KNSIJKDAWMSLGQ-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CCC(=O)O2)no1 ZINC000821354627 587107567 /nfs/dbraw/zinc/10/75/67/587107567.db2.gz HYMLVKLQBYDORD-SNVBAGLBSA-N 1 2 224.260 1.120 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CCC(=O)O2)no1 ZINC000821354627 587107569 /nfs/dbraw/zinc/10/75/69/587107569.db2.gz HYMLVKLQBYDORD-SNVBAGLBSA-N 1 2 224.260 1.120 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@H]1CCC(=O)O1 ZINC000821363145 587112262 /nfs/dbraw/zinc/11/22/62/587112262.db2.gz UJGRWVDPHGUQAZ-SECBINFHSA-N 1 2 226.301 1.281 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@H]1CCC(=O)O1 ZINC000821363145 587112264 /nfs/dbraw/zinc/11/22/64/587112264.db2.gz UJGRWVDPHGUQAZ-SECBINFHSA-N 1 2 226.301 1.281 20 0 BDADLO O=C([O-])[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000821511882 587124301 /nfs/dbraw/zinc/12/43/01/587124301.db2.gz UZNPRXZDKMFAMJ-JTQLQIEISA-N 1 2 245.282 1.241 20 0 BDADLO O=C([O-])[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000821511882 587124303 /nfs/dbraw/zinc/12/43/03/587124303.db2.gz UZNPRXZDKMFAMJ-JTQLQIEISA-N 1 2 245.282 1.241 20 0 BDADLO C[C@H]1CCOCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821716119 587135242 /nfs/dbraw/zinc/13/52/42/587135242.db2.gz LLFUJSHGVOIPPT-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO C[C@H]1CCOCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821716119 587135243 /nfs/dbraw/zinc/13/52/43/587135243.db2.gz LLFUJSHGVOIPPT-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821787331 587137917 /nfs/dbraw/zinc/13/79/17/587137917.db2.gz SLJKXETYUSCXAG-DOLQZWNJSA-N 1 2 235.287 1.040 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000822277574 587160809 /nfs/dbraw/zinc/16/08/09/587160809.db2.gz RUNRXZQTRNTHBG-GWOFURMSSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000822277574 587160811 /nfs/dbraw/zinc/16/08/11/587160811.db2.gz RUNRXZQTRNTHBG-GWOFURMSSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000822277580 587160977 /nfs/dbraw/zinc/16/09/77/587160977.db2.gz RUNRXZQTRNTHBG-UKKRHICBSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000822277580 587160979 /nfs/dbraw/zinc/16/09/79/587160979.db2.gz RUNRXZQTRNTHBG-UKKRHICBSA-N 1 2 233.315 1.818 20 0 BDADLO O=C(N[C@@H]1CCC[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC000822327683 587162849 /nfs/dbraw/zinc/16/28/49/587162849.db2.gz FNFZJBQQDDOAFM-ZYHUDNBSSA-N 1 2 245.282 1.206 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000822368429 587164191 /nfs/dbraw/zinc/16/41/91/587164191.db2.gz JVDKGBGBEJOTJN-AHWSKYQCSA-N 1 2 249.314 1.117 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822436997 587167884 /nfs/dbraw/zinc/16/78/84/587167884.db2.gz SXAGHNDUOVOERK-GSKXSAQWSA-N 1 2 247.342 1.984 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C(F)(F)F ZINC000823216994 587208887 /nfs/dbraw/zinc/20/88/87/587208887.db2.gz IWWQAEFIZWPRPM-KGGZQZJCSA-N 1 2 247.220 1.500 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H](F)[C@@H](F)C2)[nH+]1 ZINC000823329995 587216989 /nfs/dbraw/zinc/21/69/89/587216989.db2.gz BUCQZRHRLSOKSG-DTORHVGOSA-N 1 2 243.257 1.033 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cccc(C)c1F ZINC000823399825 587219724 /nfs/dbraw/zinc/21/97/24/587219724.db2.gz SSWGPJBVILIXLC-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cccc(C)c1F ZINC000823399825 587219725 /nfs/dbraw/zinc/21/97/25/587219725.db2.gz SSWGPJBVILIXLC-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000823432552 587221388 /nfs/dbraw/zinc/22/13/88/587221388.db2.gz JEXNSUBDXFJDOA-SECBINFHSA-N 1 2 240.376 1.544 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000823432552 587221389 /nfs/dbraw/zinc/22/13/89/587221389.db2.gz JEXNSUBDXFJDOA-SECBINFHSA-N 1 2 240.376 1.544 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cc(F)ncc1F ZINC000823459724 587223814 /nfs/dbraw/zinc/22/38/14/587223814.db2.gz XBEOHOBJPMCNOT-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cc(F)ncc1F ZINC000823459724 587223816 /nfs/dbraw/zinc/22/38/16/587223816.db2.gz XBEOHOBJPMCNOT-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823565177 587231602 /nfs/dbraw/zinc/23/16/02/587231602.db2.gz NQDVQGGOVYPILJ-DTWKUNHWSA-N 1 2 209.293 1.503 20 0 BDADLO CCON(C(=O)/C=C/c1cn(C)c[nH+]1)C(C)C ZINC000823602803 587232468 /nfs/dbraw/zinc/23/24/68/587232468.db2.gz IEZPNKHUIAGXGF-VOTSOKGWSA-N 1 2 237.303 1.622 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000823643918 587233906 /nfs/dbraw/zinc/23/39/06/587233906.db2.gz MFXFFVBUHMZACE-NEPJUHHUSA-N 1 2 241.294 1.625 20 0 BDADLO c1cc(-c2nn[nH]n2)oc1CNc1cccc[nH+]1 ZINC000823787271 587240529 /nfs/dbraw/zinc/24/05/29/587240529.db2.gz JYSVZAVDCPETSP-UHFFFAOYSA-N 1 2 242.242 1.467 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824272374 587264039 /nfs/dbraw/zinc/26/40/39/587264039.db2.gz VZVWEZJOJCVTNM-IONNQARKSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccnc(Cl)c1F ZINC000824272374 587264040 /nfs/dbraw/zinc/26/40/40/587264040.db2.gz VZVWEZJOJCVTNM-IONNQARKSA-N 1 2 244.697 1.829 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000824276803 587264640 /nfs/dbraw/zinc/26/46/40/587264640.db2.gz MROIUSRTVVKEFW-FIQHERPVSA-N 1 2 243.347 1.730 20 0 BDADLO CN(C)c1cc(COC(=O)C23CC(C2)C3)cc[nH+]1 ZINC000860272153 589092935 /nfs/dbraw/zinc/09/29/35/589092935.db2.gz XWUOHNCAXRKKGS-UHFFFAOYSA-N 1 2 246.310 1.991 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1CCC=CO1 ZINC000825104436 587304818 /nfs/dbraw/zinc/30/48/18/587304818.db2.gz WYPYXIBCODRAEG-VHSXEESVSA-N 1 2 235.274 1.627 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1CCC=CO1 ZINC000825104436 587304819 /nfs/dbraw/zinc/30/48/19/587304819.db2.gz WYPYXIBCODRAEG-VHSXEESVSA-N 1 2 235.274 1.627 20 0 BDADLO CCC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825190984 587309077 /nfs/dbraw/zinc/30/90/77/587309077.db2.gz SFVVTSOFMSBUAW-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825731627 587334965 /nfs/dbraw/zinc/33/49/65/587334965.db2.gz JOHBENKARXPFBG-VIFPVBQESA-N 1 2 207.277 1.353 20 0 BDADLO C/C(=C\C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741135 587335662 /nfs/dbraw/zinc/33/56/62/587335662.db2.gz IURVOTNCCCIBLY-IGEMTJHASA-N 1 2 240.347 1.480 20 0 BDADLO C/C(=C\C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741135 587335664 /nfs/dbraw/zinc/33/56/64/587335664.db2.gz IURVOTNCCCIBLY-IGEMTJHASA-N 1 2 240.347 1.480 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000825922378 587345356 /nfs/dbraw/zinc/34/53/56/587345356.db2.gz QMIGNIQYVSSLDD-UHFFFAOYSA-N 1 2 247.302 1.274 20 0 BDADLO CC/C(C)=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000825935770 587346424 /nfs/dbraw/zinc/34/64/24/587346424.db2.gz FXUJGROGNXBWRD-UXBLZVDNSA-N 1 2 219.288 1.623 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnc(C2CC2)nc1 ZINC000825959168 587347058 /nfs/dbraw/zinc/34/70/58/587347058.db2.gz BFTZXMFMFRMCCZ-UHFFFAOYSA-N 1 2 243.270 1.258 20 0 BDADLO Cc1cc[nH+]c(NC2CC(C)C2)c1-c1nn[nH]n1 ZINC000826311846 587351963 /nfs/dbraw/zinc/35/19/63/587351963.db2.gz POHZKFWKDXBYSN-UHFFFAOYSA-N 1 2 244.302 1.781 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC2CC(C)(C)C2)c1 ZINC000826623263 587356619 /nfs/dbraw/zinc/35/66/19/587356619.db2.gz PDNOYUQTWAGFPS-SNAWJCMRSA-N 1 2 233.315 1.738 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(F)CC1 ZINC000826689948 587359150 /nfs/dbraw/zinc/35/91/50/587359150.db2.gz OUQNQZMZIWEHBG-GFCCVEGCSA-N 1 2 248.301 1.791 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(F)CC1 ZINC000826689948 587359151 /nfs/dbraw/zinc/35/91/51/587359151.db2.gz OUQNQZMZIWEHBG-GFCCVEGCSA-N 1 2 248.301 1.791 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(F)F ZINC000826736656 587360818 /nfs/dbraw/zinc/36/08/18/587360818.db2.gz LPWJFFFQLUCDNR-SNVBAGLBSA-N 1 2 240.253 1.554 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(F)F ZINC000826736656 587360819 /nfs/dbraw/zinc/36/08/19/587360819.db2.gz LPWJFFFQLUCDNR-SNVBAGLBSA-N 1 2 240.253 1.554 20 0 BDADLO CCCCC[C@@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000826753958 587361186 /nfs/dbraw/zinc/36/11/86/587361186.db2.gz XANLSSWYTUURRG-LLVKDONJSA-N 1 2 239.319 1.276 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)CC[S@@](C)=O ZINC000827777113 587401492 /nfs/dbraw/zinc/40/14/92/587401492.db2.gz NDZBXEUDSRKKRH-OAHLLOKOSA-N 1 2 230.333 1.102 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)CC[S@@](C)=O ZINC000827777113 587401493 /nfs/dbraw/zinc/40/14/93/587401493.db2.gz NDZBXEUDSRKKRH-OAHLLOKOSA-N 1 2 230.333 1.102 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCN(C=O)CC2)s1 ZINC000827868031 587406480 /nfs/dbraw/zinc/40/64/80/587406480.db2.gz VFENYAUEUXBYCT-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1cnc(C[N@H+]2CCCN(C=O)CC2)s1 ZINC000827868031 587406481 /nfs/dbraw/zinc/40/64/81/587406481.db2.gz VFENYAUEUXBYCT-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000827884866 587407384 /nfs/dbraw/zinc/40/73/84/587407384.db2.gz KEZOHDPAVNRWTI-VIFPVBQESA-N 1 2 223.320 1.751 20 0 BDADLO C[S@](=O)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827978937 587412461 /nfs/dbraw/zinc/41/24/61/587412461.db2.gz DLXLJKDQMUPYAW-LRDDRELGSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@](=O)CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827978937 587412462 /nfs/dbraw/zinc/41/24/62/587412462.db2.gz DLXLJKDQMUPYAW-LRDDRELGSA-N 1 2 241.331 1.951 20 0 BDADLO CCCC[C@H](COC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828219922 587425005 /nfs/dbraw/zinc/42/50/05/587425005.db2.gz PSDNEBCQJLZNKB-SNVBAGLBSA-N 1 2 239.319 1.274 20 0 BDADLO COc1ccnc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000828357219 587437990 /nfs/dbraw/zinc/43/79/90/587437990.db2.gz ARPZUMZKNWJMCX-QMMMGPOBSA-N 1 2 231.259 1.239 20 0 BDADLO COc1nc(C)cc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000828357279 587438088 /nfs/dbraw/zinc/43/80/88/587438088.db2.gz CMOKGBKMNZXBAQ-SECBINFHSA-N 1 2 245.286 1.547 20 0 BDADLO Cc1cnccc1CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000828382245 587439410 /nfs/dbraw/zinc/43/94/10/587439410.db2.gz RFKCPRDAXBFPGI-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cnccc1CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000828382245 587439411 /nfs/dbraw/zinc/43/94/11/587439411.db2.gz RFKCPRDAXBFPGI-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1conc1C ZINC000860433262 589099848 /nfs/dbraw/zinc/09/98/48/589099848.db2.gz YPJWGKFSXFEBPJ-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)C2(COC)CC2)n1 ZINC000828533967 587448973 /nfs/dbraw/zinc/44/89/73/587448973.db2.gz UABMVQXIBFUPOB-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)C2(COC)CC2)n1 ZINC000828533967 587448974 /nfs/dbraw/zinc/44/89/74/587448974.db2.gz UABMVQXIBFUPOB-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000828627279 587454897 /nfs/dbraw/zinc/45/48/97/587454897.db2.gz STTBLFBGIRMRQC-YPMHNXCESA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000828627279 587454898 /nfs/dbraw/zinc/45/48/98/587454898.db2.gz STTBLFBGIRMRQC-YPMHNXCESA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)Cn1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000829112670 587483636 /nfs/dbraw/zinc/48/36/36/587483636.db2.gz UMSUEODETBJJKJ-UHFFFAOYSA-N 1 2 247.302 1.443 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C(C)(C)F)cc2C1 ZINC000829434416 587497175 /nfs/dbraw/zinc/49/71/75/587497175.db2.gz GDFLETMFOOZUPS-UHFFFAOYSA-N 1 2 240.282 1.015 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C(C)(C)F)cc2C1 ZINC000829434416 587497177 /nfs/dbraw/zinc/49/71/77/587497177.db2.gz GDFLETMFOOZUPS-UHFFFAOYSA-N 1 2 240.282 1.015 20 0 BDADLO C/C=C(\C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829441893 587497478 /nfs/dbraw/zinc/49/74/78/587497478.db2.gz OSVDLHXUMLTUPO-RUDMXATFSA-N 1 2 234.303 1.233 20 0 BDADLO C/C=C(\C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829441893 587497480 /nfs/dbraw/zinc/49/74/80/587497480.db2.gz OSVDLHXUMLTUPO-RUDMXATFSA-N 1 2 234.303 1.233 20 0 BDADLO CCCCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829462816 587498676 /nfs/dbraw/zinc/49/86/76/587498676.db2.gz MJEILZYOUSJVFT-UHFFFAOYSA-N 1 2 236.319 1.457 20 0 BDADLO CCCCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829462816 587498677 /nfs/dbraw/zinc/49/86/77/587498677.db2.gz MJEILZYOUSJVFT-UHFFFAOYSA-N 1 2 236.319 1.457 20 0 BDADLO CC1=NO[C@H](C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000829949607 587529791 /nfs/dbraw/zinc/52/97/91/587529791.db2.gz ZZYJDQPFHIWCME-NSHDSACASA-N 1 2 233.271 1.802 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000830185876 587540673 /nfs/dbraw/zinc/54/06/73/587540673.db2.gz KGEVLCDNUOMCMD-GMTAPVOTSA-N 1 2 249.314 1.026 20 0 BDADLO O[C@H](C[N@@H+]1CC[C@H](F)C1)c1cccc(F)c1 ZINC000830467166 587552342 /nfs/dbraw/zinc/55/23/42/587552342.db2.gz GGXGQZAEZHGBIO-NWDGAFQWSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@H](C[N@H+]1CC[C@H](F)C1)c1cccc(F)c1 ZINC000830467166 587552344 /nfs/dbraw/zinc/55/23/44/587552344.db2.gz GGXGQZAEZHGBIO-NWDGAFQWSA-N 1 2 227.254 1.903 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000830658303 587562838 /nfs/dbraw/zinc/56/28/38/587562838.db2.gz MPUWQAZXTUCOOZ-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCC(=O)C1 ZINC000830897765 587576451 /nfs/dbraw/zinc/57/64/51/587576451.db2.gz VSISWTQIKRJGPX-SNVBAGLBSA-N 1 2 236.271 1.186 20 0 BDADLO CC(C)CSCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000831217439 587592649 /nfs/dbraw/zinc/59/26/49/587592649.db2.gz XDYGVIMWXJOQCR-UHFFFAOYSA-N 1 2 241.360 1.458 20 0 BDADLO CC[C@H](C[C@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC000831302622 587597075 /nfs/dbraw/zinc/59/70/75/587597075.db2.gz IHHBRSIKOGHWEK-VHSXEESVSA-N 1 2 239.319 1.008 20 0 BDADLO CC[C@H](C[C@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC000831302622 587597076 /nfs/dbraw/zinc/59/70/76/587597076.db2.gz IHHBRSIKOGHWEK-VHSXEESVSA-N 1 2 239.319 1.008 20 0 BDADLO CCON(CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000831480401 587612904 /nfs/dbraw/zinc/61/29/04/587612904.db2.gz HSBGNJSKPBICJR-UHFFFAOYSA-N 1 2 233.271 1.748 20 0 BDADLO Cc1ccsc1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000831657878 587626753 /nfs/dbraw/zinc/62/67/53/587626753.db2.gz ANPBEYMUQLLORT-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO C[C@@H]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000831956587 587639032 /nfs/dbraw/zinc/63/90/32/587639032.db2.gz IGHVLFRFXFXJAI-RISCZKNCSA-N 1 2 247.342 1.991 20 0 BDADLO CC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832379485 587656663 /nfs/dbraw/zinc/65/66/63/587656663.db2.gz JWUHIHUIDVURCN-UHFFFAOYSA-N 1 2 214.334 1.822 20 0 BDADLO CC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832379485 587656664 /nfs/dbraw/zinc/65/66/64/587656664.db2.gz JWUHIHUIDVURCN-UHFFFAOYSA-N 1 2 214.334 1.822 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833278061 587704318 /nfs/dbraw/zinc/70/43/18/587704318.db2.gz MULWHLQCJYWOLF-UWVGGRQHSA-N 1 2 221.304 1.880 20 0 BDADLO C=CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000834395147 587754355 /nfs/dbraw/zinc/75/43/55/587754355.db2.gz RYCKAZIHVSKHCP-UHFFFAOYSA-N 1 2 235.331 1.870 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000834660264 587763155 /nfs/dbraw/zinc/76/31/55/587763155.db2.gz NXTDTHNMLFYYPZ-SNVBAGLBSA-N 1 2 245.286 1.039 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834847288 587768575 /nfs/dbraw/zinc/76/85/75/587768575.db2.gz GEGTVCSVWUUAGK-NXEZZACHSA-N 1 2 221.304 1.505 20 0 BDADLO CCC[C@H](OC)C(=O)OCCc1c[nH+]cn1C ZINC000835322531 587796363 /nfs/dbraw/zinc/79/63/63/587796363.db2.gz HERWDCSGWWSANK-NSHDSACASA-N 1 2 240.303 1.321 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccsn1 ZINC000835325936 587796367 /nfs/dbraw/zinc/79/63/67/587796367.db2.gz ZDPOEXBUKYAIKZ-UHFFFAOYSA-N 1 2 237.284 1.276 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC1(F)F ZINC000835324788 587796370 /nfs/dbraw/zinc/79/63/70/587796370.db2.gz SXJXJQINLLPTKA-QMMMGPOBSA-N 1 2 230.214 1.161 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CC1(F)F ZINC000835372442 587798601 /nfs/dbraw/zinc/79/86/01/587798601.db2.gz UYMFIYYSUNABKN-SFYZADRCSA-N 1 2 237.221 1.229 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CC1(F)F ZINC000835372442 587798602 /nfs/dbraw/zinc/79/86/02/587798602.db2.gz UYMFIYYSUNABKN-SFYZADRCSA-N 1 2 237.221 1.229 20 0 BDADLO O=C(NCC1CCCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836221472 587829090 /nfs/dbraw/zinc/82/90/90/587829090.db2.gz KUBNOGIJPBYEEA-LLVKDONJSA-N 1 2 248.330 1.817 20 0 BDADLO CC[C@H]1CCCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836516087 587834452 /nfs/dbraw/zinc/83/44/52/587834452.db2.gz HGWUICJXKSEAOG-QWRGUYRKSA-N 1 2 248.330 1.912 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836520516 587834527 /nfs/dbraw/zinc/83/45/27/587834527.db2.gz ZOPVETMWIWZEDV-OUAUKWLOSA-N 1 2 248.330 1.768 20 0 BDADLO CC[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836515594 587834677 /nfs/dbraw/zinc/83/46/77/587834677.db2.gz CZEXSYMQYKUVAD-WDEREUQCSA-N 1 2 248.330 1.769 20 0 BDADLO O=C(C1CSC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000867179080 587834811 /nfs/dbraw/zinc/83/48/11/587834811.db2.gz CCJWQYSFWLEVLK-SECBINFHSA-N 1 2 237.328 1.436 20 0 BDADLO CC[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)O ZINC000836863027 587840196 /nfs/dbraw/zinc/84/01/96/587840196.db2.gz PVVSEFUBJBJFCW-UWVGGRQHSA-N 1 2 247.298 1.224 20 0 BDADLO CO[C@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000837103965 587854014 /nfs/dbraw/zinc/85/40/14/587854014.db2.gz OZKURNXAKPKPNL-LLVKDONJSA-N 1 2 236.315 1.740 20 0 BDADLO COC/C=C\C(=O)NCc1c[nH+]c(C)cc1C ZINC000837105082 587854336 /nfs/dbraw/zinc/85/43/36/587854336.db2.gz ONVUIDMXQNMQOF-PLNGDYQASA-N 1 2 234.299 1.517 20 0 BDADLO O=C(NC1CCC1)c1cccc2[nH+]ccn21 ZINC000837227999 587860325 /nfs/dbraw/zinc/86/03/25/587860325.db2.gz RSCSIMHHMCKHCS-UHFFFAOYSA-N 1 2 215.256 1.617 20 0 BDADLO CCC(=CC(=O)NCCc1cn(C)c[nH+]1)CC ZINC000837716897 587892363 /nfs/dbraw/zinc/89/23/63/587892363.db2.gz VBSDOMLIGMHUDF-UHFFFAOYSA-N 1 2 235.331 1.825 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)OCCCF)CC2 ZINC000841512509 587957369 /nfs/dbraw/zinc/95/73/69/587957369.db2.gz JPUNCSLWDVJROB-UHFFFAOYSA-N 1 2 241.266 1.503 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OC1CCCCC1 ZINC000867275257 587975230 /nfs/dbraw/zinc/97/52/30/587975230.db2.gz UUVZIRIGFBKFOG-UHFFFAOYSA-N 1 2 237.303 1.979 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCC[C@@H](C)O ZINC000842014006 587989028 /nfs/dbraw/zinc/98/90/28/587989028.db2.gz ZJUNOGUZLLLBLY-SNVBAGLBSA-N 1 2 222.288 1.612 20 0 BDADLO Cc1ccncc1CO[NH+]=C(N)COC(C)C ZINC000842025801 587989966 /nfs/dbraw/zinc/98/99/66/587989966.db2.gz UITVAOZKKBFGNI-UHFFFAOYSA-N 1 2 237.303 1.813 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCC1CCOCC1 ZINC000842025404 587990269 /nfs/dbraw/zinc/99/02/69/587990269.db2.gz PDVKCZUUQGSFIY-UHFFFAOYSA-N 1 2 244.335 1.727 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)c1cccc(F)c1 ZINC000842027104 587990547 /nfs/dbraw/zinc/99/05/47/587990547.db2.gz XNVFWFPWMYJAKQ-MRVPVSSYSA-N 1 2 226.251 1.443 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC1CC(OC(C)(C)C)C1 ZINC000842035612 587991501 /nfs/dbraw/zinc/99/15/01/587991501.db2.gz CVQNODUQZMUBKL-IDKOKCKLSA-N 1 2 244.335 1.866 20 0 BDADLO COC1(CO[NH+]=C(N)Cc2cccnc2)CCC1 ZINC000842035731 587991768 /nfs/dbraw/zinc/99/17/68/587991768.db2.gz IBPFEJGKKLBYRO-UHFFFAOYSA-N 1 2 249.314 1.692 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCOCC1CCCC1 ZINC000842037313 587991943 /nfs/dbraw/zinc/99/19/43/587991943.db2.gz XESZMHBSQIYTMR-SNVBAGLBSA-N 1 2 244.335 1.727 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cnccc1C ZINC000842037265 587991989 /nfs/dbraw/zinc/99/19/89/587991989.db2.gz VJOIBILTSIGSAX-SECBINFHSA-N 1 2 223.276 1.423 20 0 BDADLO CC[C@H](CO[NH+]=C(N)Cc1cccnc1)OC ZINC000842037124 587992096 /nfs/dbraw/zinc/99/20/96/587992096.db2.gz VQIXCRNFOXPCPA-LLVKDONJSA-N 1 2 237.303 1.548 20 0 BDADLO Cc1cncc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000842047469 587993035 /nfs/dbraw/zinc/99/30/35/587993035.db2.gz OLQREVIAMFQMSO-LLVKDONJSA-N 1 2 235.287 1.567 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000842161236 588004530 /nfs/dbraw/zinc/00/45/30/588004530.db2.gz MSCRAGCDHRNJPN-MXWKQRLJSA-N 1 2 243.347 1.874 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H](CC(C)C)OC ZINC000842164667 588005836 /nfs/dbraw/zinc/00/58/36/588005836.db2.gz YIVAYGFCLGBXAL-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO CCC[C@H](C)c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000842490364 588030255 /nfs/dbraw/zinc/03/02/55/588030255.db2.gz LWYSOGUSEYHHRR-VHSXEESVSA-N 1 2 239.319 1.976 20 0 BDADLO CCC[C@H](C)c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000842490364 588030256 /nfs/dbraw/zinc/03/02/56/588030256.db2.gz LWYSOGUSEYHHRR-VHSXEESVSA-N 1 2 239.319 1.976 20 0 BDADLO C[C@@H](Nc1ccc2c(c1)nnn2C)c1[nH]cc[nH+]1 ZINC000842901366 588071522 /nfs/dbraw/zinc/07/15/22/588071522.db2.gz NGDBVIAJXLZYIG-MRVPVSSYSA-N 1 2 242.286 1.865 20 0 BDADLO O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCCO1 ZINC000867317560 588078371 /nfs/dbraw/zinc/07/83/71/588078371.db2.gz PLUPHRHOHHOPEK-SECBINFHSA-N 1 2 248.273 1.127 20 0 BDADLO O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCCO1 ZINC000867317560 588078372 /nfs/dbraw/zinc/07/83/72/588078372.db2.gz PLUPHRHOHHOPEK-SECBINFHSA-N 1 2 248.273 1.127 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)c2ccnn2C)n1 ZINC000843142205 588086168 /nfs/dbraw/zinc/08/61/68/588086168.db2.gz CIIMPFFPQRDIFW-MRVPVSSYSA-N 1 2 235.291 1.064 20 0 BDADLO CC/C=C(\F)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000867324902 588100299 /nfs/dbraw/zinc/10/02/99/588100299.db2.gz SDHGTQMCHFNGFQ-WMZJFQQLSA-N 1 2 237.278 1.797 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)co1 ZINC000843418563 588107015 /nfs/dbraw/zinc/10/70/15/588107015.db2.gz VWUXAQNHWICPEC-GFCCVEGCSA-N 1 2 239.340 1.988 20 0 BDADLO c1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)co1 ZINC000843418563 588107017 /nfs/dbraw/zinc/10/70/17/588107017.db2.gz VWUXAQNHWICPEC-GFCCVEGCSA-N 1 2 239.340 1.988 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C2(F)CC2)c2[nH+]ccn21 ZINC000843601314 588128772 /nfs/dbraw/zinc/12/87/72/588128772.db2.gz GWQZJFFBGGJBLK-JGVFFNPUSA-N 1 2 223.251 1.507 20 0 BDADLO Cc1ccn2cc(CNC(=O)C3(F)CC3)[nH+]c2c1 ZINC000843771135 588139007 /nfs/dbraw/zinc/13/90/07/588139007.db2.gz FOHMTQVQYXKJOP-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO C[C@@H](CNC(=O)C1(F)CC1)Cn1cc[nH+]c1 ZINC000843803700 588141756 /nfs/dbraw/zinc/14/17/56/588141756.db2.gz AVGRDRNWFMLSRY-VIFPVBQESA-N 1 2 225.267 1.138 20 0 BDADLO CCON(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC000844075575 588160565 /nfs/dbraw/zinc/16/05/65/588160565.db2.gz PPDSLIHUIYKJQN-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CCCONC(=O)CCCn1cc[nH+]c1 ZINC000844083792 588162819 /nfs/dbraw/zinc/16/28/19/588162819.db2.gz SNVAIVCBSIJGRQ-UHFFFAOYSA-N 1 2 211.265 1.121 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000844137482 588169777 /nfs/dbraw/zinc/16/97/77/588169777.db2.gz PTTYFEDJMSVJDU-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC000844451417 588195542 /nfs/dbraw/zinc/19/55/42/588195542.db2.gz LABJSUULLIBTST-OCAPTIKFSA-N 1 2 216.256 1.840 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC000844451417 588195543 /nfs/dbraw/zinc/19/55/43/588195543.db2.gz LABJSUULLIBTST-OCAPTIKFSA-N 1 2 216.256 1.840 20 0 BDADLO CN(C[C@@H]1CC=CCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867358010 588196978 /nfs/dbraw/zinc/19/69/78/588196978.db2.gz JVIMQFUGXJEFCP-ZYHUDNBSSA-N 1 2 249.314 1.258 20 0 BDADLO Cc1nn(C[N@H+]2CCCCC[C@H]2C)c(=O)n1C ZINC000844696203 588214213 /nfs/dbraw/zinc/21/42/13/588214213.db2.gz ZTVHEZGESLUSSW-SNVBAGLBSA-N 1 2 238.335 1.112 20 0 BDADLO Cc1nn(C[N@@H+]2CCCCC[C@H]2C)c(=O)n1C ZINC000844696203 588214214 /nfs/dbraw/zinc/21/42/14/588214214.db2.gz ZTVHEZGESLUSSW-SNVBAGLBSA-N 1 2 238.335 1.112 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCCC2=O)[C@@H](CC)CO1 ZINC000844725426 588215057 /nfs/dbraw/zinc/21/50/57/588215057.db2.gz ILGNLCHQOBMBAI-NWDGAFQWSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCCC2=O)[C@@H](CC)CO1 ZINC000844725426 588215058 /nfs/dbraw/zinc/21/50/58/588215058.db2.gz ILGNLCHQOBMBAI-NWDGAFQWSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844752674 588215903 /nfs/dbraw/zinc/21/59/03/588215903.db2.gz CPTWPMWVMATSAT-LPEHRKFASA-N 1 2 244.285 1.399 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844752674 588215904 /nfs/dbraw/zinc/21/59/04/588215904.db2.gz CPTWPMWVMATSAT-LPEHRKFASA-N 1 2 244.285 1.399 20 0 BDADLO COC/C(C)=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000845239688 588224541 /nfs/dbraw/zinc/22/45/41/588224541.db2.gz CHSCMJUMEDXBNY-WEVVVXLNSA-N 1 2 236.271 1.300 20 0 BDADLO C[C@@H](CC(=O)OCc1ccno1)n1cc[nH+]c1 ZINC000845280118 588225146 /nfs/dbraw/zinc/22/51/46/588225146.db2.gz RRJFRADNTMYOTH-VIFPVBQESA-N 1 2 235.243 1.566 20 0 BDADLO C[C@H](CC(=O)OC[C@@H]1CCCO1)n1cc[nH+]c1 ZINC000845278459 588225186 /nfs/dbraw/zinc/22/51/86/588225186.db2.gz GGPNWVYOHGYMDE-MNOVXSKESA-N 1 2 238.287 1.556 20 0 BDADLO C[C@@H](CC(=O)OCc1ccon1)n1cc[nH+]c1 ZINC000845278281 588225198 /nfs/dbraw/zinc/22/51/98/588225198.db2.gz SVCVVVUMIXUWAJ-VIFPVBQESA-N 1 2 235.243 1.566 20 0 BDADLO CC(C)C(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282096 588225396 /nfs/dbraw/zinc/22/53/96/588225396.db2.gz MHRNLAVXHWMRKT-SNVBAGLBSA-N 1 2 238.287 1.603 20 0 BDADLO CCC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280829 588225529 /nfs/dbraw/zinc/22/55/29/588225529.db2.gz GZWUJXNMEUVOKG-SECBINFHSA-N 1 2 224.260 1.357 20 0 BDADLO C[C@@H](CC(=O)OCc1ncccn1)n1cc[nH+]c1 ZINC000845283629 588225753 /nfs/dbraw/zinc/22/57/53/588225753.db2.gz FOENIAUZIONWMF-JTQLQIEISA-N 1 2 246.270 1.368 20 0 BDADLO CO[C@@H](C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283622 588225831 /nfs/dbraw/zinc/22/58/31/588225831.db2.gz FJNOSSPFJBOOCD-UWVGGRQHSA-N 1 2 226.276 1.412 20 0 BDADLO CC[C@H](COC(=O)C[C@@H](C)n1cc[nH+]c1)OC ZINC000845285784 588225835 /nfs/dbraw/zinc/22/58/35/588225835.db2.gz KKKKYASHBXCDSY-GHMZBOCLSA-N 1 2 240.303 1.802 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc3cnccc3o2)n1 ZINC000845970694 588252454 /nfs/dbraw/zinc/25/24/54/588252454.db2.gz QFIFSXBWGIAZAS-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO c1nnn(-c2ccccc2)c1C[NH+]1CC2(CC2)C1 ZINC000845980539 588252516 /nfs/dbraw/zinc/25/25/16/588252516.db2.gz PWMRAFLFTBJPOA-UHFFFAOYSA-N 1 2 240.310 1.863 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnccn2)[C@H](C)CO1 ZINC000846043828 588254804 /nfs/dbraw/zinc/25/48/04/588254804.db2.gz DBXCGTARADNDCA-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnccn2)[C@H](C)CO1 ZINC000846043828 588254805 /nfs/dbraw/zinc/25/48/05/588254805.db2.gz DBXCGTARADNDCA-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000846086321 588256018 /nfs/dbraw/zinc/25/60/18/588256018.db2.gz NYTFRSAZAUBPCX-MNOVXSKESA-N 1 2 228.336 1.470 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](CC)C[C@H](C)CC ZINC000846090462 588256240 /nfs/dbraw/zinc/25/62/40/588256240.db2.gz AYUHNJNTQIKUQG-MNOVXSKESA-N 1 2 230.352 1.859 20 0 BDADLO COCc1cc[nH+]c(NCc2ccc(C)nn2)c1 ZINC000846117336 588257883 /nfs/dbraw/zinc/25/78/83/588257883.db2.gz MTQIEPXQPYOYAH-UHFFFAOYSA-N 1 2 244.298 1.939 20 0 BDADLO CC(C)[C@@H](F)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244185 588262514 /nfs/dbraw/zinc/26/25/14/588262514.db2.gz FSUZXQUWUZJIHH-MRVPVSSYSA-N 1 2 227.283 1.755 20 0 BDADLO CC1=C(C(=O)NC(C)(C)c2[nH]cc[nH+]2)CCCO1 ZINC000846245646 588262664 /nfs/dbraw/zinc/26/26/64/588262664.db2.gz ZZBZNIPWBHRWHN-UHFFFAOYSA-N 1 2 249.314 1.845 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846809328 588290240 /nfs/dbraw/zinc/29/02/40/588290240.db2.gz QONHTINMFFUWNE-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846809328 588290241 /nfs/dbraw/zinc/29/02/41/588290241.db2.gz QONHTINMFFUWNE-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO C[N@H+](Cc1cnsn1)[C@@H]1CCSC1 ZINC000846836025 588291696 /nfs/dbraw/zinc/29/16/96/588291696.db2.gz NIRBXERYKLKZCY-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO C[N@@H+](Cc1cnsn1)[C@@H]1CCSC1 ZINC000846836025 588291697 /nfs/dbraw/zinc/29/16/97/588291697.db2.gz NIRBXERYKLKZCY-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@H]1CCCC[C@@H]1O ZINC000846846935 588292507 /nfs/dbraw/zinc/29/25/07/588292507.db2.gz CWTMJOBQAMCTRA-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@H]1CCCC[C@@H]1O ZINC000846846935 588292508 /nfs/dbraw/zinc/29/25/08/588292508.db2.gz CWTMJOBQAMCTRA-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO CCC1(CO)CC[NH+](Cc2cnsn2)CC1 ZINC000846842370 588292686 /nfs/dbraw/zinc/29/26/86/588292686.db2.gz UABJKHYUKRCONQ-UHFFFAOYSA-N 1 2 241.360 1.523 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cnsn1 ZINC000846867506 588294377 /nfs/dbraw/zinc/29/43/77/588294377.db2.gz BHVHKULICGGSLW-WCABBAIRSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cnsn1 ZINC000846867506 588294378 /nfs/dbraw/zinc/29/43/78/588294378.db2.gz BHVHKULICGGSLW-WCABBAIRSA-N 1 2 241.360 1.519 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2cnsn2)C1 ZINC000846884415 588295108 /nfs/dbraw/zinc/29/51/08/588295108.db2.gz HLFXBGUNXUHVFU-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846884415 588295109 /nfs/dbraw/zinc/29/51/09/588295109.db2.gz HLFXBGUNXUHVFU-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2cnsn2)CC1 ZINC000846882326 588295286 /nfs/dbraw/zinc/29/52/86/588295286.db2.gz BRCYSXLDXZLXGY-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846882326 588295287 /nfs/dbraw/zinc/29/52/87/588295287.db2.gz BRCYSXLDXZLXGY-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO CCn1nncc1C[NH+]1CCC(C(C)=O)CC1 ZINC000846936042 588297606 /nfs/dbraw/zinc/29/76/06/588297606.db2.gz AKSVFJYIDZGNSF-UHFFFAOYSA-N 1 2 236.319 1.099 20 0 BDADLO COC[C@@]1(C)CC[N@H+](Cc2cnsn2)C1 ZINC000846946025 588297975 /nfs/dbraw/zinc/29/79/75/588297975.db2.gz WCNUHJFPOBYVOA-JTQLQIEISA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@@]1(C)CC[N@@H+](Cc2cnsn2)C1 ZINC000846946025 588297976 /nfs/dbraw/zinc/29/79/76/588297976.db2.gz WCNUHJFPOBYVOA-JTQLQIEISA-N 1 2 227.333 1.397 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(CC1CC1)CC1CCC1 ZINC000846950271 588298355 /nfs/dbraw/zinc/29/83/55/588298355.db2.gz MJSFMNAZNGAFST-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnsn2)C[C@@H]1C ZINC000846957875 588298583 /nfs/dbraw/zinc/29/85/83/588298583.db2.gz MUPIOBKWRFTZQZ-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnsn2)C[C@@H]1C ZINC000846957875 588298584 /nfs/dbraw/zinc/29/85/84/588298584.db2.gz MUPIOBKWRFTZQZ-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CON1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000846970363 588299006 /nfs/dbraw/zinc/29/90/06/588299006.db2.gz FAMILSSJLKACGE-UHFFFAOYSA-N 1 2 235.331 1.377 20 0 BDADLO CON1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000846974541 588299387 /nfs/dbraw/zinc/29/93/87/588299387.db2.gz BSUOKCAHSVQUGS-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO CON1CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC000846973758 588299499 /nfs/dbraw/zinc/29/94/99/588299499.db2.gz DOKWPRAMXLWPMK-UHFFFAOYSA-N 1 2 241.360 1.439 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846983321 588300468 /nfs/dbraw/zinc/30/04/68/588300468.db2.gz HQBAMWCQWUISMO-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846983321 588300469 /nfs/dbraw/zinc/30/04/69/588300469.db2.gz HQBAMWCQWUISMO-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CCC(=O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000847043802 588304849 /nfs/dbraw/zinc/30/48/49/588304849.db2.gz MURJIROBHSDBRW-UHFFFAOYSA-N 1 2 246.310 1.810 20 0 BDADLO CCC(=O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000847043802 588304850 /nfs/dbraw/zinc/30/48/50/588304850.db2.gz MURJIROBHSDBRW-UHFFFAOYSA-N 1 2 246.310 1.810 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)no1 ZINC000847300502 588310723 /nfs/dbraw/zinc/31/07/23/588310723.db2.gz BUKGNFNKBIHYDZ-SSDOTTSWSA-N 1 2 234.259 1.523 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)no1 ZINC000847300502 588310724 /nfs/dbraw/zinc/31/07/24/588310724.db2.gz BUKGNFNKBIHYDZ-SSDOTTSWSA-N 1 2 234.259 1.523 20 0 BDADLO CC(=O)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847624415 588319003 /nfs/dbraw/zinc/31/90/03/588319003.db2.gz UWMZEKIEWXMEHP-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO CC(=O)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847624415 588319004 /nfs/dbraw/zinc/31/90/04/588319004.db2.gz UWMZEKIEWXMEHP-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CSC(F)F ZINC000848173999 588364556 /nfs/dbraw/zinc/36/45/56/588364556.db2.gz ANVZLYWBFJXYLT-UHFFFAOYSA-N 1 2 249.286 1.475 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C/SC ZINC000848174377 588365191 /nfs/dbraw/zinc/36/51/91/588365191.db2.gz IFTBRJCGAQSWAD-QPJJXVBHSA-N 1 2 225.317 1.396 20 0 BDADLO CCCONC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848237885 588366547 /nfs/dbraw/zinc/36/65/47/588366547.db2.gz DTVIKGFWQPIUER-UHFFFAOYSA-N 1 2 233.271 1.714 20 0 BDADLO CCc1nocc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000848512721 588387737 /nfs/dbraw/zinc/38/77/37/588387737.db2.gz LSVMNUZRNZYUQV-SNVBAGLBSA-N 1 2 239.275 1.414 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(C)nc1 ZINC000848509190 588388487 /nfs/dbraw/zinc/38/84/87/588388487.db2.gz GRPDHYJNCBXOAZ-VIFPVBQESA-N 1 2 223.276 1.423 20 0 BDADLO C[C@@H]1CC[C@@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000848557557 588397370 /nfs/dbraw/zinc/39/73/70/588397370.db2.gz KLQRRTINTVHMNK-KXUCPTDWSA-N 1 2 236.319 1.544 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OC[C@H](C)CO)ccn12 ZINC000848782441 588413458 /nfs/dbraw/zinc/41/34/58/588413458.db2.gz JTUFRBBUKJBPQF-SECBINFHSA-N 1 2 248.282 1.428 20 0 BDADLO CCC(=O)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782778 588413755 /nfs/dbraw/zinc/41/37/55/588413755.db2.gz VNFVYMSQSBNGPS-UHFFFAOYSA-N 1 2 246.266 1.779 20 0 BDADLO Cn1c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cnc1Cl ZINC000848916536 588419787 /nfs/dbraw/zinc/41/97/87/588419787.db2.gz IABXPODRWZPNIV-CBAPKCEASA-N 1 2 243.763 1.763 20 0 BDADLO Cn1c(C[N@H+]2C[C@@H]3C[C@H]2CS3)cnc1Cl ZINC000848916536 588419788 /nfs/dbraw/zinc/41/97/88/588419788.db2.gz IABXPODRWZPNIV-CBAPKCEASA-N 1 2 243.763 1.763 20 0 BDADLO COc1cc[nH+]cc1NC(=S)NCC1CC1 ZINC000849256544 588465673 /nfs/dbraw/zinc/46/56/73/588465673.db2.gz IOWZCEBISIQMET-UHFFFAOYSA-N 1 2 237.328 1.787 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000849323069 588472652 /nfs/dbraw/zinc/47/26/52/588472652.db2.gz MSCRAGCDHRNJPN-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000849396785 588476611 /nfs/dbraw/zinc/47/66/11/588476611.db2.gz ORXKEWVKNNXPAY-VHSXEESVSA-N 1 2 236.319 1.940 20 0 BDADLO CCN(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000849394984 588476672 /nfs/dbraw/zinc/47/66/72/588476672.db2.gz LAOXFVFAOPJOEY-SECBINFHSA-N 1 2 222.292 1.379 20 0 BDADLO C[C@H](O)CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000849817395 588503331 /nfs/dbraw/zinc/50/33/31/588503331.db2.gz APMBNALCDLURRI-UWVGGRQHSA-N 1 2 226.276 1.148 20 0 BDADLO CCc1cc(N)nc(S[C@@H](C)OC(C)=O)[nH+]1 ZINC000849894284 588508278 /nfs/dbraw/zinc/50/82/78/588508278.db2.gz AWXKYIBXZRTSQJ-ZETCQYMHSA-N 1 2 241.316 1.622 20 0 BDADLO Cc1c[nH]c(CNc2cnn(C)c2C2CC2)[nH+]1 ZINC000850249488 588531388 /nfs/dbraw/zinc/53/13/88/588531388.db2.gz CAPIIMWDQVPONK-UHFFFAOYSA-N 1 2 231.303 1.941 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cn1 ZINC000850352307 588538045 /nfs/dbraw/zinc/53/80/45/588538045.db2.gz RNZZLOQXOYLWPY-JQWIXIFHSA-N 1 2 243.314 1.777 20 0 BDADLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cn1 ZINC000850352306 588538257 /nfs/dbraw/zinc/53/82/57/588538257.db2.gz RNZZLOQXOYLWPY-CMPLNLGQSA-N 1 2 243.314 1.777 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000850372322 588541454 /nfs/dbraw/zinc/54/14/54/588541454.db2.gz SSTBGJQCJXYPJH-VXGBXAGGSA-N 1 2 229.283 1.678 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850869203 588572230 /nfs/dbraw/zinc/57/22/30/588572230.db2.gz OPOLHEYVSNGUPX-MVWJERBFSA-N 1 2 234.299 1.900 20 0 BDADLO C[C@H]1C[N@H+](CCOC(F)F)[C@@H](C)CO1 ZINC000851715900 588616182 /nfs/dbraw/zinc/61/61/82/588616182.db2.gz FHQUZFLNTVWLHY-YUMQZZPRSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(F)F)[C@@H](C)CO1 ZINC000851715900 588616183 /nfs/dbraw/zinc/61/61/83/588616183.db2.gz FHQUZFLNTVWLHY-YUMQZZPRSA-N 1 2 209.236 1.335 20 0 BDADLO C[N@H+](CCOc1ccccc1)Cc1cnon1 ZINC000851718673 588616932 /nfs/dbraw/zinc/61/69/32/588616932.db2.gz OLCRONMJMYXLEF-UHFFFAOYSA-N 1 2 233.271 1.580 20 0 BDADLO C[N@@H+](CCOc1ccccc1)Cc1cnon1 ZINC000851718673 588616933 /nfs/dbraw/zinc/61/69/33/588616933.db2.gz OLCRONMJMYXLEF-UHFFFAOYSA-N 1 2 233.271 1.580 20 0 BDADLO c1n[nH]cc1C1CC[NH+](Cc2cnon2)CC1 ZINC000851742510 588621350 /nfs/dbraw/zinc/62/13/50/588621350.db2.gz IITQDLDQNMQCTI-UHFFFAOYSA-N 1 2 233.275 1.172 20 0 BDADLO C[N@H+](CCOC(F)F)Cc1ccon1 ZINC000851779913 588627580 /nfs/dbraw/zinc/62/75/80/588627580.db2.gz DITGUNKFTTVROO-UHFFFAOYSA-N 1 2 206.192 1.346 20 0 BDADLO C[N@@H+](CCOC(F)F)Cc1ccon1 ZINC000851779913 588627581 /nfs/dbraw/zinc/62/75/81/588627581.db2.gz DITGUNKFTTVROO-UHFFFAOYSA-N 1 2 206.192 1.346 20 0 BDADLO FC(F)(F)C1CC[NH+](Cc2cnon2)CC1 ZINC000851789552 588628689 /nfs/dbraw/zinc/62/86/89/588628689.db2.gz BYIYZECFELUMJX-UHFFFAOYSA-N 1 2 235.209 1.844 20 0 BDADLO C[C@H]1OCC[N@H+](CCOC(F)F)[C@@H]1C ZINC000851813430 588632484 /nfs/dbraw/zinc/63/24/84/588632484.db2.gz TXWJJFMBLDVIPH-HTQZYQBOSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@H]1OCC[N@@H+](CCOC(F)F)[C@@H]1C ZINC000851813430 588632485 /nfs/dbraw/zinc/63/24/85/588632485.db2.gz TXWJJFMBLDVIPH-HTQZYQBOSA-N 1 2 209.236 1.335 20 0 BDADLO FC(F)C1CC[NH+](Cc2cnon2)CC1 ZINC000851816065 588632942 /nfs/dbraw/zinc/63/29/42/588632942.db2.gz WYLMPPYXVBBIEZ-UHFFFAOYSA-N 1 2 217.219 1.547 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851841179 588634205 /nfs/dbraw/zinc/63/42/05/588634205.db2.gz FSQDERXPGFQFLW-VHSXEESVSA-N 1 2 245.319 1.021 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851841179 588634206 /nfs/dbraw/zinc/63/42/06/588634206.db2.gz FSQDERXPGFQFLW-VHSXEESVSA-N 1 2 245.319 1.021 20 0 BDADLO Cc1nocc1C[NH+]1CC(C(F)(F)F)C1 ZINC000851857345 588635990 /nfs/dbraw/zinc/63/59/90/588635990.db2.gz QDKBZNVKYUJAHU-UHFFFAOYSA-N 1 2 220.194 1.977 20 0 BDADLO Cn1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000851875209 588638196 /nfs/dbraw/zinc/63/81/96/588638196.db2.gz MQSWWEBQZRBCLE-QMMMGPOBSA-N 1 2 233.237 1.804 20 0 BDADLO Cn1cnc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000851875209 588638197 /nfs/dbraw/zinc/63/81/97/588638197.db2.gz MQSWWEBQZRBCLE-QMMMGPOBSA-N 1 2 233.237 1.804 20 0 BDADLO Cc1cnc(CN(C)Cc2[nH]cc[nH+]2)s1 ZINC000851873960 588638347 /nfs/dbraw/zinc/63/83/47/588638347.db2.gz VVYFKIWCKJABAY-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)CCN1C ZINC000851877164 588638628 /nfs/dbraw/zinc/63/86/28/588638628.db2.gz YCQVTKZYRZHKQZ-SECBINFHSA-N 1 2 211.334 1.279 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)CCN1C ZINC000851877164 588638629 /nfs/dbraw/zinc/63/86/29/588638629.db2.gz YCQVTKZYRZHKQZ-SECBINFHSA-N 1 2 211.334 1.279 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000851879780 588638957 /nfs/dbraw/zinc/63/89/57/588638957.db2.gz MTQVJQBXWMNJGZ-SFYZADRCSA-N 1 2 219.231 1.422 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000851879780 588638958 /nfs/dbraw/zinc/63/89/58/588638958.db2.gz MTQVJQBXWMNJGZ-SFYZADRCSA-N 1 2 219.231 1.422 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2cnon2)c1 ZINC000851893481 588641347 /nfs/dbraw/zinc/64/13/47/588641347.db2.gz ATQLUERWWKZTLX-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO COC[C@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851899521 588641764 /nfs/dbraw/zinc/64/17/64/588641764.db2.gz YXPDPNRJLAMPPK-LBPRGKRZSA-N 1 2 233.271 1.547 20 0 BDADLO CON(Cc1cn(C)c[nH+]1)Cc1ccccc1 ZINC000851912592 588642850 /nfs/dbraw/zinc/64/28/50/588642850.db2.gz NHLUSJMVGKHHMS-UHFFFAOYSA-N 1 2 231.299 1.984 20 0 BDADLO ClC(Cl)=CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000851953548 588647546 /nfs/dbraw/zinc/64/75/46/588647546.db2.gz HVLXCZGJVBUAHF-MRVPVSSYSA-N 1 2 247.129 1.844 20 0 BDADLO ClC(Cl)=CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000851953548 588647547 /nfs/dbraw/zinc/64/75/47/588647547.db2.gz HVLXCZGJVBUAHF-MRVPVSSYSA-N 1 2 247.129 1.844 20 0 BDADLO FC(F)OCC[N@@H+]1CCc2ncsc2C1 ZINC000851967831 588648584 /nfs/dbraw/zinc/64/85/84/588648584.db2.gz GEOMYLKNLDJMCQ-UHFFFAOYSA-N 1 2 234.271 1.740 20 0 BDADLO FC(F)OCC[N@H+]1CCc2ncsc2C1 ZINC000851967831 588648585 /nfs/dbraw/zinc/64/85/85/588648585.db2.gz GEOMYLKNLDJMCQ-UHFFFAOYSA-N 1 2 234.271 1.740 20 0 BDADLO CCn1ncc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)n1 ZINC000851967176 588648638 /nfs/dbraw/zinc/64/86/38/588648638.db2.gz WDCKCSKKPHMQJJ-NXEZZACHSA-N 1 2 238.335 1.032 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+]2CCOC(F)F)n1 ZINC000852044622 588657551 /nfs/dbraw/zinc/65/75/51/588657551.db2.gz HLKUAHSBHKZEKV-MRVPVSSYSA-N 1 2 247.245 1.754 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+]2CCOC(F)F)n1 ZINC000852044622 588657552 /nfs/dbraw/zinc/65/75/52/588657552.db2.gz HLKUAHSBHKZEKV-MRVPVSSYSA-N 1 2 247.245 1.754 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)C(C)(C)C(N)=O ZINC000852097709 588662195 /nfs/dbraw/zinc/66/21/95/588662195.db2.gz ZCJOJQQVTIZPTN-UHFFFAOYSA-N 1 2 225.119 1.501 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)C(C)(C)C(N)=O ZINC000852097709 588662196 /nfs/dbraw/zinc/66/21/96/588662196.db2.gz ZCJOJQQVTIZPTN-UHFFFAOYSA-N 1 2 225.119 1.501 20 0 BDADLO OCC1([N@H+](Cc2cnsn2)C2CC2)CCC1 ZINC000852157691 588667801 /nfs/dbraw/zinc/66/78/01/588667801.db2.gz DFEYGSRBLUVUGV-UHFFFAOYSA-N 1 2 239.344 1.418 20 0 BDADLO OCC1([N@@H+](Cc2cnsn2)C2CC2)CCC1 ZINC000852157691 588667802 /nfs/dbraw/zinc/66/78/02/588667802.db2.gz DFEYGSRBLUVUGV-UHFFFAOYSA-N 1 2 239.344 1.418 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccn(C)n1 ZINC000852160759 588668121 /nfs/dbraw/zinc/66/81/21/588668121.db2.gz ALAAHQLUIFFFTG-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnon2)CC2(CCCC2)O1 ZINC000852209497 588672059 /nfs/dbraw/zinc/67/20/59/588672059.db2.gz PULRCJUGCOJUOE-JTQLQIEISA-N 1 2 237.303 1.603 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnon2)CC2(CCCC2)O1 ZINC000852209497 588672060 /nfs/dbraw/zinc/67/20/60/588672060.db2.gz PULRCJUGCOJUOE-JTQLQIEISA-N 1 2 237.303 1.603 20 0 BDADLO COc1ccccc1C1([NH2+]Cc2cnon2)CC1 ZINC000852207109 588672375 /nfs/dbraw/zinc/67/23/75/588672375.db2.gz ZJXKFTKGDOFPOS-UHFFFAOYSA-N 1 2 245.282 1.857 20 0 BDADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CC=C(Cl)Cl ZINC000852212469 588672785 /nfs/dbraw/zinc/67/27/85/588672785.db2.gz AEHZRZJCJHLITR-MREMCGJQSA-N 1 2 240.155 1.511 20 0 BDADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CC=C(Cl)Cl ZINC000852212469 588672786 /nfs/dbraw/zinc/67/27/86/588672786.db2.gz AEHZRZJCJHLITR-MREMCGJQSA-N 1 2 240.155 1.511 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH+]c[nH]2)cn1 ZINC000852284371 588675944 /nfs/dbraw/zinc/67/59/44/588675944.db2.gz LCDFQJPRSSQYOX-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH]c[nH+]2)cn1 ZINC000852284371 588675945 /nfs/dbraw/zinc/67/59/45/588675945.db2.gz LCDFQJPRSSQYOX-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO CC[C@H](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000852342210 588679125 /nfs/dbraw/zinc/67/91/25/588679125.db2.gz JZPARCLSWLVKDT-JTQLQIEISA-N 1 2 238.335 1.656 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000852360444 588679824 /nfs/dbraw/zinc/67/98/24/588679824.db2.gz FUAVWDIEAOEXSU-ZJUUUORDSA-N 1 2 232.287 1.346 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000852360443 588680051 /nfs/dbraw/zinc/68/00/51/588680051.db2.gz FUAVWDIEAOEXSU-VHSXEESVSA-N 1 2 232.287 1.346 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000852360441 588680093 /nfs/dbraw/zinc/68/00/93/588680093.db2.gz FUAVWDIEAOEXSU-UWVGGRQHSA-N 1 2 232.287 1.346 20 0 BDADLO O[C@H]1CC[N@H+](CC2(O)CCCCC2)CC1(F)F ZINC000852413647 588681541 /nfs/dbraw/zinc/68/15/41/588681541.db2.gz YWJJZILLDPFPOP-JTQLQIEISA-N 1 2 249.301 1.384 20 0 BDADLO O[C@H]1CC[N@@H+](CC2(O)CCCCC2)CC1(F)F ZINC000852413647 588681542 /nfs/dbraw/zinc/68/15/42/588681542.db2.gz YWJJZILLDPFPOP-JTQLQIEISA-N 1 2 249.301 1.384 20 0 BDADLO COC(=O)C[N@H+](CCF)C1CCCCC1 ZINC000852414156 588681713 /nfs/dbraw/zinc/68/17/13/588681713.db2.gz JITLLSIDXIRPPK-UHFFFAOYSA-N 1 2 217.284 1.764 20 0 BDADLO COC(=O)C[N@@H+](CCF)C1CCCCC1 ZINC000852414156 588681714 /nfs/dbraw/zinc/68/17/14/588681714.db2.gz JITLLSIDXIRPPK-UHFFFAOYSA-N 1 2 217.284 1.764 20 0 BDADLO COCC[N@H+](CCF)Cc1cncc(C)c1 ZINC000852481392 588684041 /nfs/dbraw/zinc/68/40/41/588684041.db2.gz MKICZZDLHZIANO-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1cncc(C)c1 ZINC000852481392 588684042 /nfs/dbraw/zinc/68/40/42/588684042.db2.gz MKICZZDLHZIANO-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO C[N@@H+](C/C(Cl)=C\Cl)C[C@H]1COCCO1 ZINC000852496433 588685664 /nfs/dbraw/zinc/68/56/64/588685664.db2.gz QHVVSZUYEPMULJ-SGDMMICCSA-N 1 2 240.130 1.653 20 0 BDADLO C[N@H+](C/C(Cl)=C\Cl)C[C@H]1COCCO1 ZINC000852496433 588685665 /nfs/dbraw/zinc/68/56/65/588685665.db2.gz QHVVSZUYEPMULJ-SGDMMICCSA-N 1 2 240.130 1.653 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000852587358 588692439 /nfs/dbraw/zinc/69/24/39/588692439.db2.gz XDQPLTPPAYBWEI-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000852587358 588692440 /nfs/dbraw/zinc/69/24/40/588692440.db2.gz XDQPLTPPAYBWEI-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CC(C)(C)c1nnc2n1CC[N@@H+](CCF)C2 ZINC000852743508 588698278 /nfs/dbraw/zinc/69/82/78/588698278.db2.gz DQYMQLVOIALPAG-UHFFFAOYSA-N 1 2 226.299 1.361 20 0 BDADLO CC(C)(C)c1nnc2n1CC[N@H+](CCF)C2 ZINC000852743508 588698279 /nfs/dbraw/zinc/69/82/79/588698279.db2.gz DQYMQLVOIALPAG-UHFFFAOYSA-N 1 2 226.299 1.361 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C12CC(C1)C2 ZINC000860719464 589116055 /nfs/dbraw/zinc/11/60/55/589116055.db2.gz WBJSODOLJRMJCI-SQLBVSGCSA-N 1 2 227.279 1.374 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C12CC(C1)C2 ZINC000860719464 589116057 /nfs/dbraw/zinc/11/60/57/589116057.db2.gz WBJSODOLJRMJCI-SQLBVSGCSA-N 1 2 227.279 1.374 20 0 BDADLO C[C@H]1C[C@@H](C(=O)OCC[NH+]2CCC2)CCC1=O ZINC000861388471 589162684 /nfs/dbraw/zinc/16/26/84/589162684.db2.gz KWUBMMCXDPYFKX-QWRGUYRKSA-N 1 2 239.315 1.241 20 0 BDADLO C[C@H]1CC(=O)CC[C@H]1C(=O)OCC[NH+]1CCC1 ZINC000861388740 589163042 /nfs/dbraw/zinc/16/30/42/589163042.db2.gz OHCGCOZLKDUDEV-CMPLNLGQSA-N 1 2 239.315 1.241 20 0 BDADLO CC(=O)c1ccc(C(=O)OCC[NH+]2CCC2)cc1 ZINC000861389618 589163713 /nfs/dbraw/zinc/16/37/13/589163713.db2.gz RZCHIMAHJNLDKX-UHFFFAOYSA-N 1 2 247.294 1.752 20 0 BDADLO CC=CC=CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861758169 589176496 /nfs/dbraw/zinc/17/64/96/589176496.db2.gz CRWPYGIFFQEDEC-IAROGAJJSA-N 1 2 217.272 1.427 20 0 BDADLO CC=CC=CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861758169 589176498 /nfs/dbraw/zinc/17/64/98/589176498.db2.gz CRWPYGIFFQEDEC-IAROGAJJSA-N 1 2 217.272 1.427 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861761855 589177177 /nfs/dbraw/zinc/17/71/77/589177177.db2.gz AKNVILZAFLQVFI-SKDRFNHKSA-N 1 2 249.314 1.110 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861761855 589177179 /nfs/dbraw/zinc/17/71/79/589177179.db2.gz AKNVILZAFLQVFI-SKDRFNHKSA-N 1 2 249.314 1.110 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)nc1 ZINC000861761224 589177318 /nfs/dbraw/zinc/17/73/18/589177318.db2.gz ZOGPTTILGPBQTB-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000861761224 589177319 /nfs/dbraw/zinc/17/73/19/589177319.db2.gz ZOGPTTILGPBQTB-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000861852091 589180388 /nfs/dbraw/zinc/18/03/88/589180388.db2.gz CITKBPQONCMQIK-SNVBAGLBSA-N 1 2 231.255 1.659 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC3(CC3)C1)CC2 ZINC000861854753 589180961 /nfs/dbraw/zinc/18/09/61/589180961.db2.gz REQGJZFQPXWMGY-LLVKDONJSA-N 1 2 245.326 1.376 20 0 BDADLO Cc1c[nH]c(CN[C@@H](C)C(=O)OCC(C)C)[nH+]1 ZINC000862339415 589201769 /nfs/dbraw/zinc/20/17/69/589201769.db2.gz SQRBMPADEPPFKY-JTQLQIEISA-N 1 2 239.319 1.395 20 0 BDADLO Cc1c(F)nccc1C[N@@H+]1CCn2cncc2C1 ZINC000862370538 589204917 /nfs/dbraw/zinc/20/49/17/589204917.db2.gz MWUQOVRGVNYXMK-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1c(F)nccc1C[N@H+]1CCn2cncc2C1 ZINC000862370538 589204918 /nfs/dbraw/zinc/20/49/18/589204918.db2.gz MWUQOVRGVNYXMK-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1c[nH]c(CN2CC(c3nc(C)no3)C2)[nH+]1 ZINC000862389594 589208038 /nfs/dbraw/zinc/20/80/38/589208038.db2.gz SXEMFKDXRDDJRU-UHFFFAOYSA-N 1 2 233.275 1.009 20 0 BDADLO O=CN1CCC[N@H+](Cc2cnc(C3CC3)o2)CC1 ZINC000862418581 589211955 /nfs/dbraw/zinc/21/19/55/589211955.db2.gz PFYUHTWOBDFSIL-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO O=CN1CCC[N@@H+](Cc2cnc(C3CC3)o2)CC1 ZINC000862418581 589211956 /nfs/dbraw/zinc/21/19/56/589211956.db2.gz PFYUHTWOBDFSIL-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO c1[nH]nc2cc(C[NH+]3CC4(C3)CCCO4)ccc12 ZINC000862484532 589217073 /nfs/dbraw/zinc/21/70/73/589217073.db2.gz TVTIDJWSIZAINX-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000862488047 589217314 /nfs/dbraw/zinc/21/73/14/589217314.db2.gz ZURQMXQKFMEPPO-SNVBAGLBSA-N 1 2 235.287 1.151 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000862529727 589218184 /nfs/dbraw/zinc/21/81/84/589218184.db2.gz GNSCAHLDUOELQO-NSHDSACASA-N 1 2 225.267 1.037 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000862529727 589218185 /nfs/dbraw/zinc/21/81/85/589218185.db2.gz GNSCAHLDUOELQO-NSHDSACASA-N 1 2 225.267 1.037 20 0 BDADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)C[C@H]2C[C@H]2C1 ZINC000863119766 589260261 /nfs/dbraw/zinc/26/02/61/589260261.db2.gz JKHNCZOYUQPPNK-IWIIMEHWSA-N 1 2 233.315 1.505 20 0 BDADLO Cc1ccc(OCC[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000119289551 589263556 /nfs/dbraw/zinc/26/35/56/589263556.db2.gz FZALRVMCJHHWKF-UHFFFAOYSA-N 1 2 248.326 1.148 20 0 BDADLO Cc1ccc(OCC[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000119289551 589263557 /nfs/dbraw/zinc/26/35/57/589263557.db2.gz FZALRVMCJHHWKF-UHFFFAOYSA-N 1 2 248.326 1.148 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCOC1 ZINC000119399978 589277173 /nfs/dbraw/zinc/27/71/73/589277173.db2.gz HVDDFZYPVIWSRA-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCOC1 ZINC000119399978 589277175 /nfs/dbraw/zinc/27/71/75/589277175.db2.gz HVDDFZYPVIWSRA-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO C[N@H+](Cn1ncsc1=S)CC1(C)COC1 ZINC000863299121 589277334 /nfs/dbraw/zinc/27/73/34/589277334.db2.gz VCXIIZDMTUKTCG-UHFFFAOYSA-N 1 2 245.373 1.600 20 0 BDADLO C[N@@H+](Cn1ncsc1=S)CC1(C)COC1 ZINC000863299121 589277335 /nfs/dbraw/zinc/27/73/35/589277335.db2.gz VCXIIZDMTUKTCG-UHFFFAOYSA-N 1 2 245.373 1.600 20 0 BDADLO CCO[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)C1CC1 ZINC000863472258 589291366 /nfs/dbraw/zinc/29/13/66/589291366.db2.gz ATNAYTLHDDWROZ-MNOVXSKESA-N 1 2 242.319 1.479 20 0 BDADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000863475269 589291882 /nfs/dbraw/zinc/29/18/82/589291882.db2.gz KALJNKDAPUJSHH-GMTAPVOTSA-N 1 2 242.319 1.336 20 0 BDADLO COC1(C(N)=[NH+]OCCSC)CCCC1 ZINC000863478212 589292303 /nfs/dbraw/zinc/29/23/03/589292303.db2.gz KKHJQXLOZSONGK-UHFFFAOYSA-N 1 2 232.349 1.807 20 0 BDADLO C=CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000863970836 589329543 /nfs/dbraw/zinc/32/95/43/589329543.db2.gz VSZIZAJCAXHNAN-UHFFFAOYSA-N 1 2 201.229 1.767 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2C[C@H](O)C23CCC3)[nH+]c1 ZINC000864093165 589344394 /nfs/dbraw/zinc/34/43/94/589344394.db2.gz JAZZUHFQHAYINE-DLOVCJGASA-N 1 2 248.326 1.850 20 0 BDADLO CC/C=C(\F)C(=O)NCCCn1cc[nH+]c1 ZINC000864413805 589360010 /nfs/dbraw/zinc/36/00/10/589360010.db2.gz VCQPBYHUNLDBEF-WMZJFQQLSA-N 1 2 225.267 1.653 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@]12C[C@@H]1CCCC2 ZINC000864413575 589360340 /nfs/dbraw/zinc/36/03/40/589360340.db2.gz PSHJQLCWVXPGPF-JSGCOSHPSA-N 1 2 247.342 1.970 20 0 BDADLO CCCN(CC)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864810224 589395142 /nfs/dbraw/zinc/39/51/42/589395142.db2.gz AILXHASBCMARIZ-WAYWQWQTSA-N 1 2 240.347 1.133 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864844312 589397508 /nfs/dbraw/zinc/39/75/08/589397508.db2.gz OUNPJIVUKIHMNQ-UFBFGSQYSA-N 1 2 249.314 1.233 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000864868552 589399021 /nfs/dbraw/zinc/39/90/21/589399021.db2.gz VWOJFMZASNVTEM-RHYQMDGZSA-N 1 2 233.315 1.291 20 0 BDADLO Cc1occc1CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864989348 589403299 /nfs/dbraw/zinc/40/32/99/589403299.db2.gz VMCIOOZLKPPUFZ-LLVKDONJSA-N 1 2 249.270 1.003 20 0 BDADLO COCCNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865397146 589431683 /nfs/dbraw/zinc/43/16/83/589431683.db2.gz MOHYADQCQJAUTA-UHFFFAOYSA-N 1 2 237.307 1.170 20 0 BDADLO COCCNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865397146 589431684 /nfs/dbraw/zinc/43/16/84/589431684.db2.gz MOHYADQCQJAUTA-UHFFFAOYSA-N 1 2 237.307 1.170 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cncc(C)c2)nn1 ZINC000865511767 589442678 /nfs/dbraw/zinc/44/26/78/589442678.db2.gz GDPLAOBMBFPFKZ-UHFFFAOYSA-N 1 2 245.330 1.681 20 0 BDADLO Clc1cc2c(nc[nH+]c2N[C@H]2CCOC2)[nH]1 ZINC000865637011 589453689 /nfs/dbraw/zinc/45/36/89/589453689.db2.gz STNIUEZKOAGDMS-LURJTMIESA-N 1 2 238.678 1.234 20 0 BDADLO Cc1nc(N[C@H](C)c2ccc[nH]2)nc(N)[nH+]1 ZINC000865648027 589453980 /nfs/dbraw/zinc/45/39/80/589453980.db2.gz QSGRNRRUUMIYDE-ZCFIWIBFSA-N 1 2 218.264 1.263 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)c2ccc[nH]2)[nH+]1 ZINC000865648027 589453981 /nfs/dbraw/zinc/45/39/81/589453981.db2.gz QSGRNRRUUMIYDE-ZCFIWIBFSA-N 1 2 218.264 1.263 20 0 BDADLO Cn1c[nH+]c(CNc2cnn3c2CCCC3)c1 ZINC000865708750 589457648 /nfs/dbraw/zinc/45/76/48/589457648.db2.gz YPJXQOUGEFWAHC-UHFFFAOYSA-N 1 2 231.303 1.565 20 0 BDADLO C[C@H](O)c1ccc(N(C)CC2(CO)CC2)[nH+]c1 ZINC000865711465 589457939 /nfs/dbraw/zinc/45/79/39/589457939.db2.gz OAEMKFJEEOQEHF-JTQLQIEISA-N 1 2 236.315 1.344 20 0 BDADLO Cc1nc(N2CCC[C@](C)(F)C2)nc(N)[nH+]1 ZINC000865840025 589464307 /nfs/dbraw/zinc/46/43/07/589464307.db2.gz BLYXBHHJPYXLFF-JTQLQIEISA-N 1 2 225.271 1.091 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@](C)(F)C2)[nH+]1 ZINC000865840025 589464308 /nfs/dbraw/zinc/46/43/08/589464308.db2.gz BLYXBHHJPYXLFF-JTQLQIEISA-N 1 2 225.271 1.091 20 0 BDADLO CCCCc1cc(NC[C@H]2COCO2)nc[nH+]1 ZINC000865871567 589466186 /nfs/dbraw/zinc/46/61/86/589466186.db2.gz CWAFEOVYAWJEOY-NSHDSACASA-N 1 2 237.303 1.604 20 0 BDADLO C[C@@H](C(=O)OCC1CCC1)[NH+]1CCSCC1 ZINC000120793891 589466496 /nfs/dbraw/zinc/46/64/96/589466496.db2.gz IDKUDUFJQMTDGQ-JTQLQIEISA-N 1 2 243.372 1.767 20 0 BDADLO CC/C=C(\F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878519 589467078 /nfs/dbraw/zinc/46/70/78/589467078.db2.gz QEHPNNGHDKIKPL-KMKOMSMNSA-N 1 2 223.251 1.530 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2CC[C@H]2O)[nH+]c1 ZINC000865889468 589467510 /nfs/dbraw/zinc/46/75/10/589467510.db2.gz KSCKMRWNHQSTOM-FXBDTBDDSA-N 1 2 208.261 1.070 20 0 BDADLO CC[C@@H](C)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000120800884 589469055 /nfs/dbraw/zinc/46/90/55/589469055.db2.gz RLSVZYPMHUFTCA-ZJUUUORDSA-N 1 2 231.361 1.765 20 0 BDADLO Cc1nnc(CN(C)c2ccc([C@H](C)O)c[nH+]2)o1 ZINC000865940088 589469627 /nfs/dbraw/zinc/46/96/27/589469627.db2.gz PKRUOCZRDSVDQB-QMMMGPOBSA-N 1 2 248.286 1.463 20 0 BDADLO c1ccc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[nH+]c1 ZINC000866045418 589473724 /nfs/dbraw/zinc/47/37/24/589473724.db2.gz METVOQLEWXIMIP-BSFRTMCYSA-N 1 2 216.284 1.917 20 0 BDADLO CN(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000866146875 589478177 /nfs/dbraw/zinc/47/81/77/589478177.db2.gz AUEJOOBFZGSUCO-GFCCVEGCSA-N 1 2 233.315 1.444 20 0 BDADLO CN(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000866146875 589478178 /nfs/dbraw/zinc/47/81/78/589478178.db2.gz AUEJOOBFZGSUCO-GFCCVEGCSA-N 1 2 233.315 1.444 20 0 BDADLO Cc1cc(N2CC[C@@H]3CSC[C@@H]3C2)nc[nH+]1 ZINC000866200254 589479605 /nfs/dbraw/zinc/47/96/05/589479605.db2.gz GDYRNCPNIZYEOE-MNOVXSKESA-N 1 2 235.356 1.974 20 0 BDADLO Cc1cc(N2C[C@@H](O)CC(C)(C)C2)nc[nH+]1 ZINC000866225664 589481792 /nfs/dbraw/zinc/48/17/92/589481792.db2.gz BFYNULRJECICOD-JTQLQIEISA-N 1 2 221.304 1.382 20 0 BDADLO Cc1cc(N[C@H](C)c2ccnn2C)nc[nH+]1 ZINC000866250916 589482807 /nfs/dbraw/zinc/48/28/07/589482807.db2.gz FTIKBDOHFRZGHV-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO CN1CCN(c2cccnn2)Cc2ccc[nH+]c21 ZINC000866293546 589484574 /nfs/dbraw/zinc/48/45/74/589484574.db2.gz RVMRZWHJPDVKMS-UHFFFAOYSA-N 1 2 241.298 1.328 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)OC1CCC1 ZINC000867713995 589531569 /nfs/dbraw/zinc/53/15/69/589531569.db2.gz VDBFRJKATUTXTE-SNVBAGLBSA-N 1 2 244.310 1.699 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)OC1CCC1 ZINC000867713995 589531571 /nfs/dbraw/zinc/53/15/71/589531571.db2.gz VDBFRJKATUTXTE-SNVBAGLBSA-N 1 2 244.310 1.699 20 0 BDADLO CCCN(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867710887 589531882 /nfs/dbraw/zinc/53/18/82/589531882.db2.gz KIYXWFXWJJJRHF-NSHDSACASA-N 1 2 245.342 1.472 20 0 BDADLO CCCN(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867710887 589531884 /nfs/dbraw/zinc/53/18/84/589531884.db2.gz KIYXWFXWJJJRHF-NSHDSACASA-N 1 2 245.342 1.472 20 0 BDADLO CCC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000867751631 589533164 /nfs/dbraw/zinc/53/31/64/589533164.db2.gz YBKOLCJRNNCHKH-GFCCVEGCSA-N 1 2 245.326 1.803 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@](C)(CO)C1CC1 ZINC000121881549 589537675 /nfs/dbraw/zinc/53/76/75/589537675.db2.gz VXYPJPYMWOZBEB-CYBMUJFWSA-N 1 2 249.314 1.673 20 0 BDADLO CC[C@@H]1[C@@H](C(=O)NOc2ccccc2)CC[N@@H+]1C ZINC000868050092 589546568 /nfs/dbraw/zinc/54/65/68/589546568.db2.gz DDUFMWBADQEGHX-QWHCGFSZSA-N 1 2 248.326 1.827 20 0 BDADLO CC[C@@H]1[C@@H](C(=O)NOc2ccccc2)CC[N@H+]1C ZINC000868050092 589546569 /nfs/dbraw/zinc/54/65/69/589546569.db2.gz DDUFMWBADQEGHX-QWHCGFSZSA-N 1 2 248.326 1.827 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000868525296 589562932 /nfs/dbraw/zinc/56/29/32/589562932.db2.gz SGPSPWIQUMHHNA-VHSXEESVSA-N 1 2 236.319 1.740 20 0 BDADLO CC(C)(F)CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868658272 589570931 /nfs/dbraw/zinc/57/09/31/589570931.db2.gz RXOZANDEPLWBQJ-QMMMGPOBSA-N 1 2 240.282 1.375 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H](C2CCC2)C1 ZINC000868894073 589581735 /nfs/dbraw/zinc/58/17/35/589581735.db2.gz NEGIHWOXABAOGQ-JQWIXIFHSA-N 1 2 249.314 1.092 20 0 BDADLO CC/C=C(/F)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000869223788 589593049 /nfs/dbraw/zinc/59/30/49/589593049.db2.gz KAPUGMOKMZDOAX-RUDMXATFSA-N 1 2 211.240 1.632 20 0 BDADLO CC/C=C(/F)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000869223788 589593050 /nfs/dbraw/zinc/59/30/50/589593050.db2.gz KAPUGMOKMZDOAX-RUDMXATFSA-N 1 2 211.240 1.632 20 0 BDADLO CCOC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000869769243 589629235 /nfs/dbraw/zinc/62/92/35/589629235.db2.gz VRKJGROZGLCAJS-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO Cc1ccnc(C(=O)OCCn2cc[nH+]c2)c1N ZINC000869788507 589630522 /nfs/dbraw/zinc/63/05/22/589630522.db2.gz SLUDVMDERMBANO-UHFFFAOYSA-N 1 2 246.270 1.026 20 0 BDADLO COc1cccnc1C(=O)OCc1c[nH+]cn1C ZINC000870220079 589650174 /nfs/dbraw/zinc/65/01/74/589650174.db2.gz MYMXEEUYYCRYMO-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO CC(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000123222452 589678675 /nfs/dbraw/zinc/67/86/75/589678675.db2.gz WVKPIQSMZFOSDK-UHFFFAOYSA-N 1 2 237.299 1.902 20 0 BDADLO C/C=C\C[S@](=O)Cc1[nH+]ccn1CC(F)F ZINC000871607028 589775009 /nfs/dbraw/zinc/77/50/09/589775009.db2.gz VOUXHMXOLGVEMM-YPQKKHBXSA-N 1 2 248.298 1.973 20 0 BDADLO CCc1cc(NCC[S@](=O)CC)nc[nH+]1 ZINC000123722033 589786281 /nfs/dbraw/zinc/78/62/81/589786281.db2.gz BQFWJNLWGHMIQO-HNNXBMFYSA-N 1 2 227.333 1.220 20 0 BDADLO CC(C)(C)OCCO[NH+]=C(N)COC1CCC1 ZINC000871774487 589812895 /nfs/dbraw/zinc/81/28/95/589812895.db2.gz DPPZHCUMMMZLFO-UHFFFAOYSA-N 1 2 244.335 1.869 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](SC)C1)C1CC1 ZINC000871917420 589832350 /nfs/dbraw/zinc/83/23/50/589832350.db2.gz YJLHVQGPQQTOIG-OPRDCNLKSA-N 1 2 229.345 1.422 20 0 BDADLO CC[C@@H]([NH2+]CC1(OC(C)C)CCC1)C(=O)OC ZINC000871935937 589834030 /nfs/dbraw/zinc/83/40/30/589834030.db2.gz VCEFODNAMDXCMU-LLVKDONJSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cc(F)ccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000871948648 589839148 /nfs/dbraw/zinc/83/91/48/589839148.db2.gz WUXGYSQSZQSDFU-SNVBAGLBSA-N 1 2 247.273 1.446 20 0 BDADLO CCC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H]1F ZINC000871962687 589847397 /nfs/dbraw/zinc/84/73/97/589847397.db2.gz GPGZEPMCWXTREE-JTQLQIEISA-N 1 2 238.266 1.220 20 0 BDADLO CC[C@@H]([NH2+]Cc1nonc1C)c1cnn(C)c1 ZINC000872138003 589879847 /nfs/dbraw/zinc/87/98/47/589879847.db2.gz YSLXPEOHYGMZLT-SNVBAGLBSA-N 1 2 235.291 1.352 20 0 BDADLO CN1CCN(C(=O)C2CC2)Cc2ccc[nH+]c21 ZINC000872295737 589907337 /nfs/dbraw/zinc/90/73/37/589907337.db2.gz XSNKECBMXMYELE-UHFFFAOYSA-N 1 2 231.299 1.270 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc(N)[nH+]1 ZINC000872696164 589962562 /nfs/dbraw/zinc/96/25/62/589962562.db2.gz MSWWBOWWEUKYAF-GUBZILKMSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)[nH+]1 ZINC000872696164 589962563 /nfs/dbraw/zinc/96/25/63/589962563.db2.gz MSWWBOWWEUKYAF-GUBZILKMSA-N 1 2 249.318 1.132 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2CC23CCC3)nc[nH+]1 ZINC000872774684 589967666 /nfs/dbraw/zinc/96/76/66/589967666.db2.gz HJJDFZCZOYLYSR-ZJUUUORDSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2CC23CCC3)[nH+]cn1 ZINC000872774684 589967667 /nfs/dbraw/zinc/96/76/67/589967667.db2.gz HJJDFZCZOYLYSR-ZJUUUORDSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@H+](CN2CCC2=O)C1 ZINC000872804407 589971582 /nfs/dbraw/zinc/97/15/82/589971582.db2.gz JZIUYAZXVBQGKT-VIFPVBQESA-N 1 2 236.237 1.451 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@@H+](CN2CCC2=O)C1 ZINC000872804407 589971584 /nfs/dbraw/zinc/97/15/84/589971584.db2.gz JZIUYAZXVBQGKT-VIFPVBQESA-N 1 2 236.237 1.451 20 0 BDADLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccon1 ZINC000873051449 589981454 /nfs/dbraw/zinc/98/14/54/589981454.db2.gz CJJJZRLOCVSZKA-LBPRGKRZSA-N 1 2 244.298 1.940 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]Cc2ccon2)c2ccccc21 ZINC000873136420 589986464 /nfs/dbraw/zinc/98/64/64/589986464.db2.gz ASFLKJWWCJHTGK-OLZOCXBDSA-N 1 2 230.267 1.943 20 0 BDADLO C[C@H]([NH2+]Cc1cnc(N)cn1)c1ccccn1 ZINC000873211173 589996103 /nfs/dbraw/zinc/99/61/03/589996103.db2.gz JDHRLTDMACNVIA-VIFPVBQESA-N 1 2 229.287 1.305 20 0 BDADLO CC[C@@H](OC(=O)c1ccc2[nH+]ccn2c1)C(C)=O ZINC000873360096 590030647 /nfs/dbraw/zinc/03/06/47/590030647.db2.gz OMUBKEUOAPMTJE-LLVKDONJSA-N 1 2 246.266 1.859 20 0 BDADLO CC1(C(=O)OCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000873441277 590044754 /nfs/dbraw/zinc/04/47/54/590044754.db2.gz OXKPAALPTRMILP-UHFFFAOYSA-N 1 2 244.241 1.862 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CC12CCC2 ZINC000874782708 590133072 /nfs/dbraw/zinc/13/30/72/590133072.db2.gz FJGXVUONQCSUPE-NSHDSACASA-N 1 2 233.315 1.722 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000874783824 590134678 /nfs/dbraw/zinc/13/46/78/590134678.db2.gz CVRHDWUCJZVXHH-JQWIXIFHSA-N 1 2 245.326 1.504 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000888697687 590187279 /nfs/dbraw/zinc/18/72/79/590187279.db2.gz CTVWIEYSWNXNHZ-LLVKDONJSA-N 1 2 247.342 1.802 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC2(CC2)C1 ZINC000888697688 590187375 /nfs/dbraw/zinc/18/73/75/590187375.db2.gz CTVWIEYSWNXNHZ-NSHDSACASA-N 1 2 247.342 1.802 20 0 BDADLO COc1cnc(F)c(C[NH+]2CCC(O)CC2)c1 ZINC000876540053 590212050 /nfs/dbraw/zinc/21/20/50/590212050.db2.gz DSVKUMJNKOQQNX-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO CCCn1cc(C[N@@H+]2CCCOC[C@@H]2C)nn1 ZINC000876752155 590238145 /nfs/dbraw/zinc/23/81/45/590238145.db2.gz IDRBDJWLOGXCGT-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCCOC[C@@H]2C)nn1 ZINC000876752155 590238146 /nfs/dbraw/zinc/23/81/46/590238146.db2.gz IDRBDJWLOGXCGT-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO C[NH2+]c1ccc(NN[C@@H](C)c2ncnn2C)cc1 ZINC000877019932 590269737 /nfs/dbraw/zinc/26/97/37/590269737.db2.gz UURDOKNHJWARSH-VIFPVBQESA-N 1 2 246.318 1.535 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2ccon2)[nH]c1C ZINC000877075534 590278607 /nfs/dbraw/zinc/27/86/07/590278607.db2.gz FLFJSTWVFAXQCD-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO c1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)no1 ZINC000877076697 590278688 /nfs/dbraw/zinc/27/86/88/590278688.db2.gz UBWAHIDOUGYOET-UHFFFAOYSA-N 1 2 247.254 1.131 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1nc(Cl)cs1 ZINC000877142431 590291496 /nfs/dbraw/zinc/29/14/96/590291496.db2.gz PPTGEHPIURMQJK-LURJTMIESA-N 1 2 247.751 1.411 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(Cl)cs2)CC[C@H]1O ZINC000877432476 590326196 /nfs/dbraw/zinc/32/61/96/590326196.db2.gz DUSVKOONWCODOQ-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(Cl)cs2)CC[C@H]1O ZINC000877432476 590326198 /nfs/dbraw/zinc/32/61/98/590326198.db2.gz DUSVKOONWCODOQ-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(Cl)cs2)[C@@H]1CO ZINC000877464908 590334145 /nfs/dbraw/zinc/33/41/45/590334145.db2.gz OTQAPXVBKXAVQZ-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)[C@@H]1CO ZINC000877464908 590334147 /nfs/dbraw/zinc/33/41/47/590334147.db2.gz OTQAPXVBKXAVQZ-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1cnc(C[NH2+]CC2(C)OCCCO2)o1 ZINC000877475955 590335650 /nfs/dbraw/zinc/33/56/50/590335650.db2.gz YYXQUGLRTOCGQB-UHFFFAOYSA-N 1 2 226.276 1.226 20 0 BDADLO CCc1nc(C[NH2+]Cc2snnc2C)co1 ZINC000877570186 590362358 /nfs/dbraw/zinc/36/23/58/590362358.db2.gz DSAHFZYDQQOAET-UHFFFAOYSA-N 1 2 238.316 1.687 20 0 BDADLO CC1(O)C[NH+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877581306 590365411 /nfs/dbraw/zinc/36/54/11/590365411.db2.gz WCYPTGWWETYAKE-UHFFFAOYSA-N 1 2 246.285 1.941 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000877614466 590373266 /nfs/dbraw/zinc/37/32/66/590373266.db2.gz YWOMJLKGCXIXOW-MXWKQRLJSA-N 1 2 226.320 1.080 20 0 BDADLO CCCn1cc(CN(C)Cc2c[nH+]c[nH]2)nn1 ZINC000877620621 590376304 /nfs/dbraw/zinc/37/63/04/590376304.db2.gz VAUAJNTVTSCRHP-UHFFFAOYSA-N 1 2 234.307 1.043 20 0 BDADLO CCCn1cc(CN(C)Cc2c[nH]c[nH+]2)nn1 ZINC000877620621 590376307 /nfs/dbraw/zinc/37/63/07/590376307.db2.gz VAUAJNTVTSCRHP-UHFFFAOYSA-N 1 2 234.307 1.043 20 0 BDADLO Cc1c(Cl)c(C[NH2+]C2CSC2)nn1C ZINC000877634838 590379690 /nfs/dbraw/zinc/37/96/90/590379690.db2.gz XIBQUBQUAVMJMY-UHFFFAOYSA-N 1 2 231.752 1.587 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2CO)c(C)o1 ZINC000877644888 590383657 /nfs/dbraw/zinc/38/36/57/590383657.db2.gz UVVSMUUUIJMNGL-CYBMUJFWSA-N 1 2 238.331 1.005 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2CO)c(C)o1 ZINC000877644888 590383659 /nfs/dbraw/zinc/38/36/59/590383659.db2.gz UVVSMUUUIJMNGL-CYBMUJFWSA-N 1 2 238.331 1.005 20 0 BDADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1csnn1 ZINC000877672735 590390304 /nfs/dbraw/zinc/39/03/04/590390304.db2.gz LZGXHQVYRBRHNU-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO COC(=O)C[C@](C)([NH2+]Cc1ccn[nH]1)C1CC1 ZINC000877707426 590397377 /nfs/dbraw/zinc/39/73/77/590397377.db2.gz SNXDFSSJPIQJKW-LBPRGKRZSA-N 1 2 237.303 1.231 20 0 BDADLO CC[N@H+](CCOC)Cc1nccn1CC(F)F ZINC000877993636 590468195 /nfs/dbraw/zinc/46/81/95/590468195.db2.gz UNWFNUAGIPJGNW-UHFFFAOYSA-N 1 2 247.289 1.617 20 0 BDADLO CC[N@@H+](CCOC)Cc1nccn1CC(F)F ZINC000877993636 590468196 /nfs/dbraw/zinc/46/81/96/590468196.db2.gz UNWFNUAGIPJGNW-UHFFFAOYSA-N 1 2 247.289 1.617 20 0 BDADLO CC[N@H+](CC(=O)N=S(C)(C)=O)[C@@H](C)C(C)C ZINC000878000770 590469942 /nfs/dbraw/zinc/46/99/42/590469942.db2.gz LLFHNNOQHHISNC-JTQLQIEISA-N 1 2 248.392 1.607 20 0 BDADLO CC[N@@H+](CC(=O)N=S(C)(C)=O)[C@@H](C)C(C)C ZINC000878000770 590469944 /nfs/dbraw/zinc/46/99/44/590469944.db2.gz LLFHNNOQHHISNC-JTQLQIEISA-N 1 2 248.392 1.607 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878044310 590479337 /nfs/dbraw/zinc/47/93/37/590479337.db2.gz MDNMXHCASOAZBB-OUAUKWLOSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)[C@@H]1CC[N@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878182625 590517797 /nfs/dbraw/zinc/51/77/97/590517797.db2.gz OSQNEEONVMRDCJ-SNVBAGLBSA-N 1 2 246.376 1.219 20 0 BDADLO CC(C)[C@@H]1CC[N@@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878182625 590517800 /nfs/dbraw/zinc/51/78/00/590517800.db2.gz OSQNEEONVMRDCJ-SNVBAGLBSA-N 1 2 246.376 1.219 20 0 BDADLO c1cn(C[C@H]2CCC3(CCOCC3)O2)c[nH+]1 ZINC000878207281 590523806 /nfs/dbraw/zinc/52/38/06/590523806.db2.gz IIHHNZVFUXLMEY-LLVKDONJSA-N 1 2 222.288 1.611 20 0 BDADLO CC[N@@H+]1CCN(C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878298839 590537265 /nfs/dbraw/zinc/53/72/65/590537265.db2.gz NGTFBGNCNAKQCL-UPJWGTAASA-N 1 2 226.364 1.437 20 0 BDADLO CC[N@H+]1CCN(C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878298839 590537268 /nfs/dbraw/zinc/53/72/68/590537268.db2.gz NGTFBGNCNAKQCL-UPJWGTAASA-N 1 2 226.364 1.437 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000878315999 590541530 /nfs/dbraw/zinc/54/15/30/590541530.db2.gz DZSVATIWVVRPHH-VHSXEESVSA-N 1 2 219.288 1.931 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000878315999 590541532 /nfs/dbraw/zinc/54/15/32/590541532.db2.gz DZSVATIWVVRPHH-VHSXEESVSA-N 1 2 219.288 1.931 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nccn1CC(F)F ZINC000878319447 590543863 /nfs/dbraw/zinc/54/38/63/590543863.db2.gz RWVHCRZYOHSWIN-DTWKUNHWSA-N 1 2 245.273 1.103 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nccn1CC(F)F ZINC000878319447 590543865 /nfs/dbraw/zinc/54/38/65/590543865.db2.gz RWVHCRZYOHSWIN-DTWKUNHWSA-N 1 2 245.273 1.103 20 0 BDADLO C=C/C=C/CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477257 590575331 /nfs/dbraw/zinc/57/53/31/590575331.db2.gz HWWXNSBEEDPISY-HMDXOVGESA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C/CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477257 590575333 /nfs/dbraw/zinc/57/53/33/590575333.db2.gz HWWXNSBEEDPISY-HMDXOVGESA-N 1 2 217.259 1.821 20 0 BDADLO C[C@@]1([NH2+]C[C@@H]2CCC3(CCC3)O2)CCOC1=O ZINC000878631376 590597616 /nfs/dbraw/zinc/59/76/16/590597616.db2.gz FROXEFKSFLEJSK-CMPLNLGQSA-N 1 2 239.315 1.383 20 0 BDADLO Cc1cc(C)c(CN[C@]2(C)CCOC2=O)c(C)[nH+]1 ZINC000878633289 590598495 /nfs/dbraw/zinc/59/84/95/590598495.db2.gz XEEMLVVMGCFVFY-CQSZACIVSA-N 1 2 248.326 1.802 20 0 BDADLO O=C1OCCN1CC[N@H+]1CCC=C(Cl)C1 ZINC000878789744 590621693 /nfs/dbraw/zinc/62/16/93/590621693.db2.gz BWBPWKJGKLJCAW-UHFFFAOYSA-N 1 2 230.695 1.267 20 0 BDADLO O=C1OCCN1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878789744 590621694 /nfs/dbraw/zinc/62/16/94/590621694.db2.gz BWBPWKJGKLJCAW-UHFFFAOYSA-N 1 2 230.695 1.267 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793612 590624251 /nfs/dbraw/zinc/62/42/51/590624251.db2.gz PLLNJLITISYAGM-VIFPVBQESA-N 1 2 230.739 1.730 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793612 590624252 /nfs/dbraw/zinc/62/42/52/590624252.db2.gz PLLNJLITISYAGM-VIFPVBQESA-N 1 2 230.739 1.730 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CC[C@@H](O)C(C)C)n1 ZINC000878845000 590632175 /nfs/dbraw/zinc/63/21/75/590632175.db2.gz GVTLIWLUBNZWGB-MWLCHTKSSA-N 1 2 241.335 1.778 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CC[C@@H](O)C(C)C)n1 ZINC000878845000 590632178 /nfs/dbraw/zinc/63/21/78/590632178.db2.gz GVTLIWLUBNZWGB-MWLCHTKSSA-N 1 2 241.335 1.778 20 0 BDADLO Cc1coc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000878850219 590633655 /nfs/dbraw/zinc/63/36/55/590633655.db2.gz UMZLJYGTXPBVOE-UHFFFAOYSA-N 1 2 231.255 1.482 20 0 BDADLO Cc1conc1CN(C)Cc1c[nH+]c[nH]1 ZINC000878884482 590639282 /nfs/dbraw/zinc/63/92/82/590639282.db2.gz DWVTWNVBQOFYJF-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1conc1CN(C)Cc1c[nH]c[nH+]1 ZINC000878884482 590639288 /nfs/dbraw/zinc/63/92/88/590639288.db2.gz DWVTWNVBQOFYJF-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000878888684 590642286 /nfs/dbraw/zinc/64/22/86/590642286.db2.gz NPLGOWXRFYHRPP-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000878888684 590642288 /nfs/dbraw/zinc/64/22/88/590642288.db2.gz NPLGOWXRFYHRPP-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000878969868 590663680 /nfs/dbraw/zinc/66/36/80/590663680.db2.gz FOWADHNNGJWFTA-SNVBAGLBSA-N 1 2 213.302 1.553 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000878969868 590663682 /nfs/dbraw/zinc/66/36/82/590663682.db2.gz FOWADHNNGJWFTA-SNVBAGLBSA-N 1 2 213.302 1.553 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](OC)C2)cc1 ZINC000878970375 590665145 /nfs/dbraw/zinc/66/51/45/590665145.db2.gz OSWHUURYGIUUAM-ZDUSSCGKSA-N 1 2 237.299 1.500 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](OC)C2)cc1 ZINC000878970375 590665150 /nfs/dbraw/zinc/66/51/50/590665150.db2.gz OSWHUURYGIUUAM-ZDUSSCGKSA-N 1 2 237.299 1.500 20 0 BDADLO CC1=NO[C@@H](CNC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000879069139 590691944 /nfs/dbraw/zinc/69/19/44/590691944.db2.gz LGMLACNCWDQHRS-LLVKDONJSA-N 1 2 248.286 1.098 20 0 BDADLO CO[C@H]1C[C@H](CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000879072432 590692127 /nfs/dbraw/zinc/69/21/27/590692127.db2.gz DJPKPYWFEUMVOV-XYPYZODXSA-N 1 2 249.314 1.358 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)Cc1cccc(N)c1 ZINC000879188646 590710873 /nfs/dbraw/zinc/71/08/73/590710873.db2.gz OZGJZYZOTUGUHN-UHFFFAOYSA-N 1 2 230.315 1.932 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)Cc1cccc(N)c1 ZINC000879188646 590710877 /nfs/dbraw/zinc/71/08/77/590710877.db2.gz OZGJZYZOTUGUHN-UHFFFAOYSA-N 1 2 230.315 1.932 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2cnon2)C1 ZINC000879324211 590743621 /nfs/dbraw/zinc/74/36/21/590743621.db2.gz FSJUAGMZONHICT-WPRPVWTQSA-N 1 2 211.265 1.069 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cnon2)C1 ZINC000879324211 590743624 /nfs/dbraw/zinc/74/36/24/590743624.db2.gz FSJUAGMZONHICT-WPRPVWTQSA-N 1 2 211.265 1.069 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2C/C=C/Cl ZINC000879326985 590748172 /nfs/dbraw/zinc/74/81/72/590748172.db2.gz ZXJHUPUDPDBAJW-FARCUNLSSA-N 1 2 229.707 1.909 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2C/C=C/Cl ZINC000879326985 590748173 /nfs/dbraw/zinc/74/81/73/590748173.db2.gz ZXJHUPUDPDBAJW-FARCUNLSSA-N 1 2 229.707 1.909 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)n[nH]1 ZINC000879565145 590803802 /nfs/dbraw/zinc/80/38/02/590803802.db2.gz LEWYFWBPYPNCQB-NXEZZACHSA-N 1 2 238.360 1.298 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)n[nH]1 ZINC000879565145 590803806 /nfs/dbraw/zinc/80/38/06/590803806.db2.gz LEWYFWBPYPNCQB-NXEZZACHSA-N 1 2 238.360 1.298 20 0 BDADLO C[N@H+](CCO)Cc1c(Cl)nc2ccccn21 ZINC000127910074 590841638 /nfs/dbraw/zinc/84/16/38/590841638.db2.gz BWXOHJWQBHFYRS-UHFFFAOYSA-N 1 2 239.706 1.412 20 0 BDADLO C[N@@H+](CCO)Cc1c(Cl)nc2ccccn21 ZINC000127910074 590841639 /nfs/dbraw/zinc/84/16/39/590841639.db2.gz BWXOHJWQBHFYRS-UHFFFAOYSA-N 1 2 239.706 1.412 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000879686065 590848764 /nfs/dbraw/zinc/84/87/64/590848764.db2.gz RRUDJSNSQRDQMJ-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CCON(CC)Cc1[nH+]ccn1CC(F)F ZINC000879798235 590876128 /nfs/dbraw/zinc/87/61/28/590876128.db2.gz OBFWYXGAUTYPBE-UHFFFAOYSA-N 1 2 233.262 1.922 20 0 BDADLO Cc1coc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000880034218 590912069 /nfs/dbraw/zinc/91/20/69/590912069.db2.gz QTJDBYXZSKGPTM-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1coc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000880034218 590912074 /nfs/dbraw/zinc/91/20/74/590912074.db2.gz QTJDBYXZSKGPTM-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO CC(=O)C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880032778 590912496 /nfs/dbraw/zinc/91/24/96/590912496.db2.gz RPBYDYVXJCOVOR-UHFFFAOYSA-N 1 2 246.310 1.592 20 0 BDADLO CC(=O)C[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880032778 590912498 /nfs/dbraw/zinc/91/24/98/590912498.db2.gz RPBYDYVXJCOVOR-UHFFFAOYSA-N 1 2 246.310 1.592 20 0 BDADLO Cc1cnc(C[N@@H+]2CCNC(=O)CC23CCC3)o1 ZINC000880167792 590949161 /nfs/dbraw/zinc/94/91/61/590949161.db2.gz XFOKRHHMENTGKU-UHFFFAOYSA-N 1 2 249.314 1.228 20 0 BDADLO Cc1cnc(C[N@H+]2CCNC(=O)CC23CCC3)o1 ZINC000880167792 590949163 /nfs/dbraw/zinc/94/91/63/590949163.db2.gz XFOKRHHMENTGKU-UHFFFAOYSA-N 1 2 249.314 1.228 20 0 BDADLO CCn1ncnc1C[N@H+](C)C1(COC)CCC1 ZINC000880185017 590951025 /nfs/dbraw/zinc/95/10/25/590951025.db2.gz BWRLYJJKVCQFDP-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](C)C1(COC)CCC1 ZINC000880185017 590951027 /nfs/dbraw/zinc/95/10/27/590951027.db2.gz BWRLYJJKVCQFDP-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1nnc(C[NH+]2CCC(F)CC2)s1 ZINC000880239026 590970710 /nfs/dbraw/zinc/97/07/10/590970710.db2.gz RKVQLDNIRMZWTI-UHFFFAOYSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC(F)CC2)[nH]1 ZINC000880239725 590973091 /nfs/dbraw/zinc/97/30/91/590973091.db2.gz OIVOXBXOQKYGQS-SSDOTTSWSA-N 1 2 212.272 1.608 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CCC(F)CC1 ZINC000880240129 590974580 /nfs/dbraw/zinc/97/45/80/590974580.db2.gz ZTLKENLJHSVRBC-UHFFFAOYSA-N 1 2 226.299 1.793 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880290840 590986241 /nfs/dbraw/zinc/98/62/41/590986241.db2.gz FIXVPKZUZWXBBC-JTQLQIEISA-N 1 2 241.314 1.265 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880290840 590986244 /nfs/dbraw/zinc/98/62/44/590986244.db2.gz FIXVPKZUZWXBBC-JTQLQIEISA-N 1 2 241.314 1.265 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880299679 590995599 /nfs/dbraw/zinc/99/55/99/590995599.db2.gz XGUARSYZXSGPCV-VIFPVBQESA-N 1 2 230.262 1.039 20 0 BDADLO FCCn1ncnc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880299679 590995600 /nfs/dbraw/zinc/99/56/00/590995600.db2.gz XGUARSYZXSGPCV-VIFPVBQESA-N 1 2 230.262 1.039 20 0 BDADLO FC[C@H]1CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000880301369 590999145 /nfs/dbraw/zinc/99/91/45/590999145.db2.gz PPXWWQOALGVXEP-SECBINFHSA-N 1 2 247.264 1.940 20 0 BDADLO FC[C@H]1CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000880301369 590999146 /nfs/dbraw/zinc/99/91/46/590999146.db2.gz PPXWWQOALGVXEP-SECBINFHSA-N 1 2 247.264 1.940 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1CCOC1=S ZINC000128351953 591001081 /nfs/dbraw/zinc/00/10/81/591001081.db2.gz MFNYXNNONOBKSS-UHFFFAOYSA-N 1 2 239.344 1.032 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1CCOC1=S ZINC000128351953 591001083 /nfs/dbraw/zinc/00/10/83/591001083.db2.gz MFNYXNNONOBKSS-UHFFFAOYSA-N 1 2 239.344 1.032 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cnc(Cl)c(F)c1)C2 ZINC000880419502 591027398 /nfs/dbraw/zinc/02/73/98/591027398.db2.gz LZRLEKBOQWOUMP-LDYMZIIASA-N 1 2 242.681 1.441 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cnc(Cl)c(F)c1)C2 ZINC000880419502 591027403 /nfs/dbraw/zinc/02/74/03/591027403.db2.gz LZRLEKBOQWOUMP-LDYMZIIASA-N 1 2 242.681 1.441 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(F)(F)C(F)F ZINC000880439095 591040805 /nfs/dbraw/zinc/04/08/05/591040805.db2.gz LESIJITYWHTOTN-RNFRBKRXSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@H+]1CC(F)(F)C(F)F ZINC000880439095 591040809 /nfs/dbraw/zinc/04/08/09/591040809.db2.gz LESIJITYWHTOTN-RNFRBKRXSA-N 1 2 229.217 1.732 20 0 BDADLO Cc1nocc1NC(=O)CCCn1cc[nH+]c1 ZINC000880448944 591047406 /nfs/dbraw/zinc/04/74/06/591047406.db2.gz XGOMSXZEHMWAPW-UHFFFAOYSA-N 1 2 234.259 1.598 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880483181 591057039 /nfs/dbraw/zinc/05/70/39/591057039.db2.gz BYYKPIXRZMKQKP-SNVBAGLBSA-N 1 2 237.303 1.145 20 0 BDADLO CCCCc1noc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880483181 591057041 /nfs/dbraw/zinc/05/70/41/591057041.db2.gz BYYKPIXRZMKQKP-SNVBAGLBSA-N 1 2 237.303 1.145 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000880484596 591059155 /nfs/dbraw/zinc/05/91/55/591059155.db2.gz QPAVNDKWRGDLLQ-SECBINFHSA-N 1 2 247.254 1.062 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000880484596 591059156 /nfs/dbraw/zinc/05/91/56/591059156.db2.gz QPAVNDKWRGDLLQ-SECBINFHSA-N 1 2 247.254 1.062 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000880488205 591064711 /nfs/dbraw/zinc/06/47/11/591064711.db2.gz ZLDZXSSBSRFRKC-CQSZACIVSA-N 1 2 247.342 1.731 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC000880488205 591064712 /nfs/dbraw/zinc/06/47/12/591064712.db2.gz ZLDZXSSBSRFRKC-CQSZACIVSA-N 1 2 247.342 1.731 20 0 BDADLO O=C(NC1CSC1)c1ccc2[nH+]ccn2c1 ZINC000880735060 591133500 /nfs/dbraw/zinc/13/35/00/591133500.db2.gz NHQGNBPIILYHAP-UHFFFAOYSA-N 1 2 233.296 1.180 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](C)CO1 ZINC000888852520 591153623 /nfs/dbraw/zinc/15/36/23/591153623.db2.gz WDSNNZSNDDIMAF-KWQFWETISA-N 1 2 220.272 1.175 20 0 BDADLO O[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000211349187 591161324 /nfs/dbraw/zinc/16/13/24/591161324.db2.gz TVPGYMRWIZHETK-IPWDFOCMSA-N 1 2 210.104 1.762 20 0 BDADLO O[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211349187 591161328 /nfs/dbraw/zinc/16/13/28/591161328.db2.gz TVPGYMRWIZHETK-IPWDFOCMSA-N 1 2 210.104 1.762 20 0 BDADLO Cn1c[nH+]cc1Cn1cc([C@@H]2CCCCO2)nn1 ZINC000881288959 591181532 /nfs/dbraw/zinc/18/15/32/591181532.db2.gz ABXQXNBBOUQIKX-LBPRGKRZSA-N 1 2 247.302 1.302 20 0 BDADLO C/C=C\c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365422 591195964 /nfs/dbraw/zinc/19/59/64/591195964.db2.gz DALJSFNQTCQBHB-PLNGDYQASA-N 1 2 243.314 1.821 20 0 BDADLO C[C@@H]1CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000881479786 591209995 /nfs/dbraw/zinc/20/99/95/591209995.db2.gz GCBVJOCZYHWFSY-SECBINFHSA-N 1 2 215.256 1.569 20 0 BDADLO C[C@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000881480029 591210164 /nfs/dbraw/zinc/21/01/64/591210164.db2.gz LAXYTRMBEGFMBV-JTQLQIEISA-N 1 2 207.277 1.284 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2C=CCC2)c[nH+]1 ZINC000881493057 591216395 /nfs/dbraw/zinc/21/63/95/591216395.db2.gz OUHUHMXQRPARMV-VIFPVBQESA-N 1 2 205.261 1.414 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1C=CCC1 ZINC000881497029 591219268 /nfs/dbraw/zinc/21/92/68/591219268.db2.gz REUQSECRWUINAF-JTQLQIEISA-N 1 2 219.288 1.045 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000881498353 591221309 /nfs/dbraw/zinc/22/13/09/591221309.db2.gz ISCOLJWDJWUZBT-GHMZBOCLSA-N 1 2 245.326 1.597 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000881498353 591221312 /nfs/dbraw/zinc/22/13/12/591221312.db2.gz ISCOLJWDJWUZBT-GHMZBOCLSA-N 1 2 245.326 1.597 20 0 BDADLO Cc1ncnc(N[C@H](C)Cn2cc[nH+]c2)c1C ZINC000881801376 591271518 /nfs/dbraw/zinc/27/15/18/591271518.db2.gz FRWGWLJBEYSEQL-SECBINFHSA-N 1 2 231.303 1.791 20 0 BDADLO C[C@@H](CNc1ncc(C=O)cn1)Cn1cc[nH+]c1 ZINC000881819161 591272901 /nfs/dbraw/zinc/27/29/01/591272901.db2.gz HPEBOUDVBKRHQE-JTQLQIEISA-N 1 2 245.286 1.234 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2CCCOC2)c1C ZINC000881832801 591273739 /nfs/dbraw/zinc/27/37/39/591273739.db2.gz KBUCPBAXMCGHJK-LLVKDONJSA-N 1 2 221.304 1.932 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCCOC2)c1C ZINC000881947399 591282775 /nfs/dbraw/zinc/28/27/75/591282775.db2.gz LWQWYICYCJRQBU-JTQLQIEISA-N 1 2 207.277 1.684 20 0 BDADLO Cc1[nH+]cnc(N2CCC([C@@H](C)O)CC2)c1C ZINC000881966902 591285226 /nfs/dbraw/zinc/28/52/26/591285226.db2.gz NQTUAMOKINEQDS-LLVKDONJSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCc3n[nH]cc3C2)c1C ZINC000881983141 591285453 /nfs/dbraw/zinc/28/54/53/591285453.db2.gz STTZLXKUIMQJLM-LLVKDONJSA-N 1 2 243.314 1.786 20 0 BDADLO CC[C@@H](CCO)CNc1nc[nH+]c(C)c1C ZINC000882078482 591294661 /nfs/dbraw/zinc/29/46/61/591294661.db2.gz XCDSZNPNCYNKLU-NSHDSACASA-N 1 2 223.320 1.914 20 0 BDADLO Cc1ncnc(N(C)CCCn2cc[nH+]c2)c1C ZINC000882110909 591299843 /nfs/dbraw/zinc/29/98/43/591299843.db2.gz WHWRMRRBPTWONH-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](O)[C@@H](C)C2)c1C ZINC000882209403 591316271 /nfs/dbraw/zinc/31/62/71/591316271.db2.gz BAFVQXZYJDRGCD-KWQFWETISA-N 1 2 221.304 1.301 20 0 BDADLO C[C@@H]1C[C@H](Nc2ncc(C=O)cn2)c2[nH+]ccn21 ZINC000882426616 591346470 /nfs/dbraw/zinc/34/64/70/591346470.db2.gz NTGRLHOYMJJABA-SCZZXKLOSA-N 1 2 243.270 1.604 20 0 BDADLO Cn1c[nH+]c(CCNc2nnc(C(C)(C)C)o2)c1 ZINC000882440147 591349963 /nfs/dbraw/zinc/34/99/63/591349963.db2.gz YJYBNIMRMCJUOZ-UHFFFAOYSA-N 1 2 249.318 1.755 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H](C)C[C@@H](CO)C2)c1C ZINC000882471369 591353963 /nfs/dbraw/zinc/35/39/63/591353963.db2.gz PZDRXQFSWBKEKF-BXKDBHETSA-N 1 2 235.331 1.548 20 0 BDADLO CCn1nnc(C)c1CNc1nc[nH+]c(C)c1C ZINC000882511480 591380814 /nfs/dbraw/zinc/38/08/14/591380814.db2.gz VHOORVXZIPHXRL-UHFFFAOYSA-N 1 2 246.318 1.625 20 0 BDADLO Cc1[nH+]cnc(NCC2CSC2)c1C ZINC000882678423 591410458 /nfs/dbraw/zinc/41/04/58/591410458.db2.gz STCDAZVQKIEAJL-UHFFFAOYSA-N 1 2 209.318 1.868 20 0 BDADLO C[N@H+](CCC1OCCCO1)CC(F)F ZINC000129969268 591425510 /nfs/dbraw/zinc/42/55/10/591425510.db2.gz NWELUQFQXPASPY-UHFFFAOYSA-N 1 2 209.236 1.336 20 0 BDADLO C[N@@H+](CCC1OCCCO1)CC(F)F ZINC000129969268 591425513 /nfs/dbraw/zinc/42/55/13/591425513.db2.gz NWELUQFQXPASPY-UHFFFAOYSA-N 1 2 209.236 1.336 20 0 BDADLO OCc1cc[nH+]c(NCCc2ccns2)c1 ZINC000882759895 591431114 /nfs/dbraw/zinc/43/11/14/591431114.db2.gz PGQHDNNSLGSUCD-UHFFFAOYSA-N 1 2 235.312 1.685 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](CF)C1 ZINC000882800497 591442807 /nfs/dbraw/zinc/44/28/07/591442807.db2.gz AZHXYUPSFNJMAZ-VIFPVBQESA-N 1 2 249.293 1.549 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](CF)C2)c1C ZINC000882838793 591449734 /nfs/dbraw/zinc/44/97/34/591449734.db2.gz WSZVIYFPQLIZAY-SNVBAGLBSA-N 1 2 209.268 1.889 20 0 BDADLO Cc1nc(NC[C@H](CO)Cc2ccoc2)cc[nH+]1 ZINC000882866419 591457123 /nfs/dbraw/zinc/45/71/23/591457123.db2.gz MACGLTMFJGFGGZ-GFCCVEGCSA-N 1 2 247.298 1.641 20 0 BDADLO OC[C@H](CNc1cccc[nH+]1)Cc1ccoc1 ZINC000882866249 591457589 /nfs/dbraw/zinc/45/75/89/591457589.db2.gz IFSAFTNUEHQEJL-LBPRGKRZSA-N 1 2 232.283 1.938 20 0 BDADLO Cc1cc(NC[C@H](CO)Cc2ccoc2)nc[nH+]1 ZINC000882866213 591457966 /nfs/dbraw/zinc/45/79/66/591457966.db2.gz HLEJIBOZFZJEAS-GFCCVEGCSA-N 1 2 247.298 1.641 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@@H](C)c1ncccn1 ZINC000882981690 591491778 /nfs/dbraw/zinc/49/17/78/591491778.db2.gz RACYZVIWNCNSHL-SFYZADRCSA-N 1 2 224.264 1.071 20 0 BDADLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)c1ncccn1 ZINC000882990246 591497438 /nfs/dbraw/zinc/49/74/38/591497438.db2.gz CLXQQRWEWQLZLT-RKDXNWHRSA-N 1 2 236.275 1.215 20 0 BDADLO NC(CO)=[NH+]OCCCc1ccsc1 ZINC000883012015 591513245 /nfs/dbraw/zinc/51/32/45/591513245.db2.gz QHQYVEIGGMXQBP-UHFFFAOYSA-N 1 2 214.290 1.171 20 0 BDADLO CC(C)c1c[nH]c(C[NH2+][C@@H](C)C(=O)N(C)C)n1 ZINC000883102614 591540449 /nfs/dbraw/zinc/54/04/49/591540449.db2.gz WCZDTIWHJNAWPV-VIFPVBQESA-N 1 2 238.335 1.099 20 0 BDADLO O[C@H]1C[C@]([NH2+]Cc2ncc[nH]2)(c2ccccc2)C1 ZINC000883235306 591583025 /nfs/dbraw/zinc/58/30/25/591583025.db2.gz ZLXSZJNJXJLMAQ-XBXGTLAGSA-N 1 2 243.310 1.550 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(OCCO)cc1 ZINC000131414002 591608461 /nfs/dbraw/zinc/60/84/61/591608461.db2.gz DADZVJZWBOURLC-UHFFFAOYSA-N 1 2 247.298 1.403 20 0 BDADLO CCn1ncnc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341096 591620460 /nfs/dbraw/zinc/62/04/60/591620460.db2.gz IFQLRPARNCRONV-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO Cc1cc(NC2CCN(C=O)CC2)c[nH+]c1C ZINC000883342912 591623471 /nfs/dbraw/zinc/62/34/71/591623471.db2.gz QVQFFUBNKAKSBN-UHFFFAOYSA-N 1 2 233.315 1.731 20 0 BDADLO Cc1noc(C[NH2+][C@H](C)c2cncs2)n1 ZINC000133262250 591781462 /nfs/dbraw/zinc/78/14/62/591781462.db2.gz IHLDYPUXTMFYMB-ZCFIWIBFSA-N 1 2 224.289 1.685 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133293177 591784051 /nfs/dbraw/zinc/78/40/51/591784051.db2.gz FUROPOQILGRENB-LBPRGKRZSA-N 1 2 238.335 1.051 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133293177 591784054 /nfs/dbraw/zinc/78/40/54/591784054.db2.gz FUROPOQILGRENB-LBPRGKRZSA-N 1 2 238.335 1.051 20 0 BDADLO CCn1cc(C[N@@H+]2CCS[C@H](C)C2)nn1 ZINC000884001002 591791355 /nfs/dbraw/zinc/79/13/55/591791355.db2.gz URCVMBPGUSCRAE-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1cc(C[N@H+]2CCS[C@H](C)C2)nn1 ZINC000884001002 591791359 /nfs/dbraw/zinc/79/13/59/591791359.db2.gz URCVMBPGUSCRAE-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO Nc1ccc(NC(=O)C2(C3CC3)CC2)c[nH+]1 ZINC000884025187 591805756 /nfs/dbraw/zinc/80/57/56/591805756.db2.gz PEFVBEVOINTISW-UHFFFAOYSA-N 1 2 217.272 1.793 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)CCC2CC2)CCO1 ZINC000800168314 591830361 /nfs/dbraw/zinc/83/03/61/591830361.db2.gz GRJMPHACMCRHOJ-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)CCC2CC2)CCO1 ZINC000800168314 591830365 /nfs/dbraw/zinc/83/03/65/591830365.db2.gz GRJMPHACMCRHOJ-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800167239 591830476 /nfs/dbraw/zinc/83/04/76/591830476.db2.gz DSGVMKOWODAVAF-NWDGAFQWSA-N 1 2 243.347 1.542 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800167239 591830480 /nfs/dbraw/zinc/83/04/80/591830480.db2.gz DSGVMKOWODAVAF-NWDGAFQWSA-N 1 2 243.347 1.542 20 0 BDADLO C/C=C(\C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800179479 591832461 /nfs/dbraw/zinc/83/24/61/591832461.db2.gz OIEDDYDJBANTLT-INJWIWPUSA-N 1 2 227.304 1.217 20 0 BDADLO C/C=C(\C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800179479 591832466 /nfs/dbraw/zinc/83/24/66/591832466.db2.gz OIEDDYDJBANTLT-INJWIWPUSA-N 1 2 227.304 1.217 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C2=CCCC2)CCO1 ZINC000800184581 591834737 /nfs/dbraw/zinc/83/47/37/591834737.db2.gz VLSAGPYXNZQRLN-NSHDSACASA-N 1 2 239.315 1.361 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C2=CCCC2)CCO1 ZINC000800184581 591834739 /nfs/dbraw/zinc/83/47/39/591834739.db2.gz VLSAGPYXNZQRLN-NSHDSACASA-N 1 2 239.315 1.361 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1cccc(F)n1 ZINC000134314075 591915717 /nfs/dbraw/zinc/91/57/17/591915717.db2.gz QFAKOJXOXHBCNB-UHFFFAOYSA-N 1 2 235.222 1.266 20 0 BDADLO C[C@@H](O)c1ccc(N(C)[C@@H]2CCOC2)[nH+]c1 ZINC000134729640 591948059 /nfs/dbraw/zinc/94/80/59/591948059.db2.gz JSTVTGSELKOSEV-MWLCHTKSSA-N 1 2 222.288 1.360 20 0 BDADLO CCc1nc(N2CCOC[C@H]2C)cc[nH+]1 ZINC000884488448 591954938 /nfs/dbraw/zinc/95/49/38/591954938.db2.gz WGPFGKAMYMJGOH-SECBINFHSA-N 1 2 207.277 1.264 20 0 BDADLO CCc1nc(NCC2([S@@](C)=O)CC2)cc[nH+]1 ZINC000884497344 591956781 /nfs/dbraw/zinc/95/67/81/591956781.db2.gz VVYTVWCXCNLVOW-MRXNPFEDSA-N 1 2 239.344 1.362 20 0 BDADLO CCc1nc(NC[C@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000884509400 591961373 /nfs/dbraw/zinc/96/13/73/591961373.db2.gz FINWOSWCOVMXLO-LLVKDONJSA-N 1 2 248.330 1.319 20 0 BDADLO CCc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000884509729 591961421 /nfs/dbraw/zinc/96/14/21/591961421.db2.gz NTAVOGHGBHLOBJ-SECBINFHSA-N 1 2 207.277 1.630 20 0 BDADLO CCc1nc(N2CC[C@@H](n3cccn3)C2)cc[nH+]1 ZINC000884512432 591962152 /nfs/dbraw/zinc/96/21/52/591962152.db2.gz GZIJDGWLLYBQLF-LLVKDONJSA-N 1 2 243.314 1.687 20 0 BDADLO CCc1nc(N2CC[C@@H]2COC)cc[nH+]1 ZINC000884515899 591962786 /nfs/dbraw/zinc/96/27/86/591962786.db2.gz VZRAGQZYDMKTCI-SECBINFHSA-N 1 2 207.277 1.264 20 0 BDADLO CCc1nnc(CNc2cc[nH+]c(CC)n2)[nH]1 ZINC000884517566 591964402 /nfs/dbraw/zinc/96/44/02/591964402.db2.gz QZTKRTCEKZPGTC-UHFFFAOYSA-N 1 2 232.291 1.332 20 0 BDADLO CCc1nc(N[C@@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000884543386 591972309 /nfs/dbraw/zinc/97/23/09/591972309.db2.gz CPADNDATIVAMBM-BDAKNGLRSA-N 1 2 207.277 1.628 20 0 BDADLO CCc1nc(N(C)[C@H](C)c2nc(C)no2)cc[nH+]1 ZINC000884548417 591976603 /nfs/dbraw/zinc/97/66/03/591976603.db2.gz KBSFGQHSBGTWNT-MRVPVSSYSA-N 1 2 247.302 1.928 20 0 BDADLO Cc1cnc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000884555332 591977010 /nfs/dbraw/zinc/97/70/10/591977010.db2.gz PBXPNYQSHBOSCH-MWLCHTKSSA-N 1 2 239.319 1.504 20 0 BDADLO Cc1cnc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000884555332 591977011 /nfs/dbraw/zinc/97/70/11/591977011.db2.gz PBXPNYQSHBOSCH-MWLCHTKSSA-N 1 2 239.319 1.504 20 0 BDADLO CCc1nc(N(CCF)CCOC)cc[nH+]1 ZINC000884555874 591978091 /nfs/dbraw/zinc/97/80/91/591978091.db2.gz CMRBNMUHRVPCKC-UHFFFAOYSA-N 1 2 227.283 1.461 20 0 BDADLO CCc1nc(N2C[C@@H](C)C(O)[C@H](C)C2)cc[nH+]1 ZINC000884556462 591978379 /nfs/dbraw/zinc/97/83/79/591978379.db2.gz QUNRUURCFZOZOV-NXEZZACHSA-N 1 2 235.331 1.492 20 0 BDADLO CCc1nc(N2Cc3cnn(C)c3C2)cc[nH+]1 ZINC000884563010 591981031 /nfs/dbraw/zinc/98/10/31/591981031.db2.gz RHAYQYJPAGXFHE-UHFFFAOYSA-N 1 2 229.287 1.293 20 0 BDADLO CC[N@H+](C/C=C/Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000135112957 591986750 /nfs/dbraw/zinc/98/67/50/591986750.db2.gz UPQGDSZCNWXQCW-HYYFJVDXSA-N 1 2 237.752 1.248 20 0 BDADLO CC[N@@H+](C/C=C/Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000135112957 591986754 /nfs/dbraw/zinc/98/67/54/591986754.db2.gz UPQGDSZCNWXQCW-HYYFJVDXSA-N 1 2 237.752 1.248 20 0 BDADLO OC[C@@H](C[C@@H]1CCCO1)Nc1cccc[nH+]1 ZINC000884617324 591995236 /nfs/dbraw/zinc/99/52/36/591995236.db2.gz KZUFAADOJTUGJK-MNOVXSKESA-N 1 2 222.288 1.424 20 0 BDADLO OC[C@@]1(C(F)(F)F)CCN(c2cccc[nH+]2)C1 ZINC000884730861 592016002 /nfs/dbraw/zinc/01/60/02/592016002.db2.gz PFCYWULUPOQJQH-SNVBAGLBSA-N 1 2 246.232 1.833 20 0 BDADLO COCCOC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000885059503 592042972 /nfs/dbraw/zinc/04/29/72/592042972.db2.gz LCCWDNCOVBCSHG-UHFFFAOYSA-N 1 2 249.270 1.207 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1c[nH]cc1C1CC1 ZINC000885172363 592056743 /nfs/dbraw/zinc/05/67/43/592056743.db2.gz WJTAPWOHOCYJKL-UHFFFAOYSA-N 1 2 245.282 1.946 20 0 BDADLO COCCOC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000885219736 592058506 /nfs/dbraw/zinc/05/85/06/592058506.db2.gz BLQGOCHUKWVKOT-BDAKNGLRSA-N 1 2 239.275 1.262 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@](C)(O)C(F)F)no1 ZINC000885951910 592113836 /nfs/dbraw/zinc/11/38/36/592113836.db2.gz RFUJCBIKIHBFMY-SNVBAGLBSA-N 1 2 234.246 1.431 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@](C)(O)C(F)F)no1 ZINC000885951910 592113837 /nfs/dbraw/zinc/11/38/37/592113837.db2.gz RFUJCBIKIHBFMY-SNVBAGLBSA-N 1 2 234.246 1.431 20 0 BDADLO Cc1[nH]nc(CN[C@@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000885975238 592118712 /nfs/dbraw/zinc/11/87/12/592118712.db2.gz OFAQIOIDSUSFLE-CYBMUJFWSA-N 1 2 248.374 1.600 20 0 BDADLO Cc1[nH]nc(CN[C@@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000885975238 592118714 /nfs/dbraw/zinc/11/87/14/592118714.db2.gz OFAQIOIDSUSFLE-CYBMUJFWSA-N 1 2 248.374 1.600 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885983943 592120202 /nfs/dbraw/zinc/12/02/02/592120202.db2.gz UGDVRGOUQXURBP-QWRGUYRKSA-N 1 2 241.331 1.485 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@]23C[C@H]2CCC3)[nH+]1 ZINC000885991537 592123528 /nfs/dbraw/zinc/12/35/28/592123528.db2.gz KJBGRYJPEZMCAD-YGRLFVJLSA-N 1 2 247.342 1.821 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@]12C[C@H]1CCC2 ZINC000886002499 592127709 /nfs/dbraw/zinc/12/77/09/592127709.db2.gz CDDSAIFGYYDPMJ-YPMHNXCESA-N 1 2 233.315 1.580 20 0 BDADLO C[C@](O)(C[NH+]1CCN(C2CCC2)CC1)C(F)F ZINC000886010377 592129793 /nfs/dbraw/zinc/12/97/93/592129793.db2.gz ICHKPPYURNMRDC-LBPRGKRZSA-N 1 2 248.317 1.173 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886008709 592130247 /nfs/dbraw/zinc/13/02/47/592130247.db2.gz STYWSUBCSFFYAB-STQMWFEESA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886008709 592130249 /nfs/dbraw/zinc/13/02/49/592130249.db2.gz STYWSUBCSFFYAB-STQMWFEESA-N 1 2 235.331 1.799 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080787 592144121 /nfs/dbraw/zinc/14/41/21/592144121.db2.gz FZJRLHOVHXJMJL-JSGCOSHPSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080787 592144124 /nfs/dbraw/zinc/14/41/24/592144124.db2.gz FZJRLHOVHXJMJL-JSGCOSHPSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080787 592144126 /nfs/dbraw/zinc/14/41/26/592144126.db2.gz FZJRLHOVHXJMJL-JSGCOSHPSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080787 592144128 /nfs/dbraw/zinc/14/41/28/592144128.db2.gz FZJRLHOVHXJMJL-JSGCOSHPSA-N 1 2 247.342 1.725 20 0 BDADLO C[C@@H]([NH2+]CCOCC1CC1)C(=O)OC(C)(C)C ZINC000217771752 592149658 /nfs/dbraw/zinc/14/96/58/592149658.db2.gz FHRDFHWNXSJUEU-SNVBAGLBSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@](O)(C[N@@H+]1CCC=C(F)C1)C(F)F ZINC000886102787 592155220 /nfs/dbraw/zinc/15/52/20/592155220.db2.gz QMLHMUIUIDTWTA-SECBINFHSA-N 1 2 209.211 1.562 20 0 BDADLO C[C@@](O)(C[N@H+]1CCC=C(F)C1)C(F)F ZINC000886102787 592155222 /nfs/dbraw/zinc/15/52/22/592155222.db2.gz QMLHMUIUIDTWTA-SECBINFHSA-N 1 2 209.211 1.562 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886157923 592165501 /nfs/dbraw/zinc/16/55/01/592165501.db2.gz OACXJKWNNJPKKV-DCAQKATOSA-N 1 2 247.285 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886157923 592165503 /nfs/dbraw/zinc/16/55/03/592165503.db2.gz OACXJKWNNJPKKV-DCAQKATOSA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)CC(F)(F)C1 ZINC000886166585 592167442 /nfs/dbraw/zinc/16/74/42/592167442.db2.gz LTOXQFYAYGUUEI-OUAUKWLOSA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)CC(F)(F)C1 ZINC000886166585 592167444 /nfs/dbraw/zinc/16/74/44/592167444.db2.gz LTOXQFYAYGUUEI-OUAUKWLOSA-N 1 2 247.285 1.115 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOC1CCCCC1 ZINC000886181534 592170642 /nfs/dbraw/zinc/17/06/42/592170642.db2.gz NPAJPJHDNIMHBE-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC1CCCCC1 ZINC000886181534 592170645 /nfs/dbraw/zinc/17/06/45/592170645.db2.gz NPAJPJHDNIMHBE-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCSC(F)(F)F ZINC000886181840 592171779 /nfs/dbraw/zinc/17/17/79/592171779.db2.gz UYZRQLVVZOTQEJ-ZCFIWIBFSA-N 1 2 245.266 1.733 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCSC(F)(F)F ZINC000886181840 592171780 /nfs/dbraw/zinc/17/17/80/592171780.db2.gz UYZRQLVVZOTQEJ-ZCFIWIBFSA-N 1 2 245.266 1.733 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886207741 592176581 /nfs/dbraw/zinc/17/65/81/592176581.db2.gz LCYDQPKBUMWLKM-MNOVXSKESA-N 1 2 247.285 1.381 20 0 BDADLO FC1(F)COCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886207741 592176580 /nfs/dbraw/zinc/17/65/80/592176580.db2.gz LCYDQPKBUMWLKM-MNOVXSKESA-N 1 2 247.285 1.381 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncco2)[nH]n1 ZINC000886273988 592194112 /nfs/dbraw/zinc/19/41/12/592194112.db2.gz KIECOUYCEMZTCN-MRVPVSSYSA-N 1 2 206.249 1.557 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886326526 592208718 /nfs/dbraw/zinc/20/87/18/592208718.db2.gz MJGKQEKRUXGCAT-DTORHVGOSA-N 1 2 207.277 1.645 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886326526 592208719 /nfs/dbraw/zinc/20/87/19/592208719.db2.gz MJGKQEKRUXGCAT-DTORHVGOSA-N 1 2 207.277 1.645 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ncco1 ZINC000886527993 592245483 /nfs/dbraw/zinc/24/54/83/592245483.db2.gz DULSQTAPXYIDNZ-VIFPVBQESA-N 1 2 225.292 1.194 20 0 BDADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000886527816 592246379 /nfs/dbraw/zinc/24/63/79/592246379.db2.gz AGZYNWYGJDZFDV-BDAKNGLRSA-N 1 2 225.292 1.238 20 0 BDADLO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ncco1 ZINC000886532744 592249687 /nfs/dbraw/zinc/24/96/87/592249687.db2.gz OBQIEKYREGQHSE-SECBINFHSA-N 1 2 246.332 1.148 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ncco1 ZINC000886538709 592250641 /nfs/dbraw/zinc/25/06/41/592250641.db2.gz MLRSLYHPEAAWQP-UWVGGRQHSA-N 1 2 209.293 1.419 20 0 BDADLO C[C@@H](O)c1ccc(N(C)CC[C@H](C)O)[nH+]c1 ZINC000219804731 592251172 /nfs/dbraw/zinc/25/11/72/592251172.db2.gz BFZKJZLGLXJDGT-VHSXEESVSA-N 1 2 224.304 1.342 20 0 BDADLO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ncco1 ZINC000886539418 592254126 /nfs/dbraw/zinc/25/41/26/592254126.db2.gz ZDLGCAVVQWLCEW-POYBYMJQSA-N 1 2 238.209 1.639 20 0 BDADLO c1snnc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570793 592262739 /nfs/dbraw/zinc/26/27/39/592262739.db2.gz XJEXDTROLJFXPZ-OCAPTIKFSA-N 1 2 227.358 1.333 20 0 BDADLO c1snnc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570793 592262743 /nfs/dbraw/zinc/26/27/43/592262743.db2.gz XJEXDTROLJFXPZ-OCAPTIKFSA-N 1 2 227.358 1.333 20 0 BDADLO Cc1nonc1C[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886650229 592289084 /nfs/dbraw/zinc/28/90/84/592289084.db2.gz RYYFAMMZAUMZDW-LBPRGKRZSA-N 1 2 249.318 1.598 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676552 592300047 /nfs/dbraw/zinc/30/00/47/592300047.db2.gz IYQGVCCWLFNYMV-WDEREUQCSA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676552 592300050 /nfs/dbraw/zinc/30/00/50/592300050.db2.gz IYQGVCCWLFNYMV-WDEREUQCSA-N 1 2 249.314 1.218 20 0 BDADLO OCC[C@@H](N[C@@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000886803438 592333279 /nfs/dbraw/zinc/33/32/79/592333279.db2.gz JINNPMCHIVMKMT-HTQZYQBOSA-N 1 2 249.236 1.231 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)no1 ZINC000886836061 592356296 /nfs/dbraw/zinc/35/62/96/592356296.db2.gz VCOLZIJCEWLBOH-WDEREUQCSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)no1 ZINC000886836061 592356302 /nfs/dbraw/zinc/35/63/02/592356302.db2.gz VCOLZIJCEWLBOH-WDEREUQCSA-N 1 2 237.303 1.379 20 0 BDADLO CCOC(=O)[C@@H](CCCC(C)C)[NH2+]CCO ZINC000886935390 592398151 /nfs/dbraw/zinc/39/81/51/592398151.db2.gz IIBSBCXRBFFHSL-LLVKDONJSA-N 1 2 231.336 1.326 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000887036140 592427944 /nfs/dbraw/zinc/42/79/44/592427944.db2.gz RMFYVZTTXWPQFS-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CCOC(C)C ZINC000887069913 592434324 /nfs/dbraw/zinc/43/43/24/592434324.db2.gz AHFYGIRFVUNITH-SNVBAGLBSA-N 1 2 247.360 1.002 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CCOC(C)C ZINC000887069913 592434329 /nfs/dbraw/zinc/43/43/29/592434329.db2.gz AHFYGIRFVUNITH-SNVBAGLBSA-N 1 2 247.360 1.002 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1[C@H]1C=CCCC1 ZINC000887074021 592434965 /nfs/dbraw/zinc/43/49/65/592434965.db2.gz MLVZUAYYKVHTBT-QWRGUYRKSA-N 1 2 241.356 1.686 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1[C@H]1C=CCCC1 ZINC000887074021 592434966 /nfs/dbraw/zinc/43/49/66/592434966.db2.gz MLVZUAYYKVHTBT-QWRGUYRKSA-N 1 2 241.356 1.686 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1([C@H]2CCCCO2)CC1 ZINC000887087446 592437389 /nfs/dbraw/zinc/43/73/89/592437389.db2.gz RCSANVHLUFHOTL-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)CCCF ZINC000887141169 592457967 /nfs/dbraw/zinc/45/79/67/592457967.db2.gz ILLWWRKNEQXXBG-UHFFFAOYSA-N 1 2 228.315 1.726 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)CCCF ZINC000887141169 592457970 /nfs/dbraw/zinc/45/79/70/592457970.db2.gz ILLWWRKNEQXXBG-UHFFFAOYSA-N 1 2 228.315 1.726 20 0 BDADLO CCn1ncc(C[N@@H+](C)CCCF)n1 ZINC000887142487 592459243 /nfs/dbraw/zinc/45/92/43/592459243.db2.gz LYJSMHZHSUGXKU-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO CCn1ncc(C[N@H+](C)CCCF)n1 ZINC000887142487 592459239 /nfs/dbraw/zinc/45/92/39/592459239.db2.gz LYJSMHZHSUGXKU-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000140429332 592470245 /nfs/dbraw/zinc/47/02/45/592470245.db2.gz DFMKOCNSDZSLQY-IUCAKERBSA-N 1 2 207.277 1.490 20 0 BDADLO CCc1cnc(NC(=O)CCc2c[nH+]cn2C)o1 ZINC000887237582 592470251 /nfs/dbraw/zinc/47/02/51/592470251.db2.gz YXVXOIDAYUZKAT-UHFFFAOYSA-N 1 2 248.286 1.542 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000887934286 592560549 /nfs/dbraw/zinc/56/05/49/592560549.db2.gz UQVCEWXLZMBEOF-AOOOYVTPSA-N 1 2 217.272 1.296 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889320682 592596628 /nfs/dbraw/zinc/59/66/28/592596628.db2.gz CPPKBPKGWNICQQ-PKZYVASSSA-N 1 2 249.314 1.149 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889320682 592596629 /nfs/dbraw/zinc/59/66/29/592596629.db2.gz CPPKBPKGWNICQQ-PKZYVASSSA-N 1 2 249.314 1.149 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889589742 592623010 /nfs/dbraw/zinc/62/30/10/592623010.db2.gz FJYJAZVMRYBGBO-QJPTWQEYSA-N 1 2 233.315 1.578 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889601952 592626766 /nfs/dbraw/zinc/62/67/66/592626766.db2.gz AEOPBBFZHIMTPQ-ADEWGFFLSA-N 1 2 233.315 1.267 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H](C)CO2)c(C)c[nH+]1 ZINC000889792750 592654311 /nfs/dbraw/zinc/65/43/11/592654311.db2.gz LVYQMYMIAYTAHA-UFBFGSQYSA-N 1 2 234.299 1.484 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C(F)F)CC2)c1 ZINC000890103748 592679912 /nfs/dbraw/zinc/67/99/12/592679912.db2.gz CPFGMEXDOZQZOB-UHFFFAOYSA-N 1 2 229.230 1.082 20 0 BDADLO CC(C)c1nocc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890103223 592680624 /nfs/dbraw/zinc/68/06/24/592680624.db2.gz HDMVHQOAKPZBEC-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1sccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104149 592680658 /nfs/dbraw/zinc/68/06/58/592680658.db2.gz IDHDWKNHDWZYOM-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890106799 592681340 /nfs/dbraw/zinc/68/13/40/592681340.db2.gz DPKJUPWVUAVLRR-VHSXEESVSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)c1ccncc1 ZINC000890105070 592681737 /nfs/dbraw/zinc/68/17/37/592681737.db2.gz WAJLKFQBZCHTJE-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107310 592681795 /nfs/dbraw/zinc/68/17/95/592681795.db2.gz JXGHVVBLGKXZEI-QWRGUYRKSA-N 1 2 221.304 1.328 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2ccoc2C2CC2)c1 ZINC000890106846 592682113 /nfs/dbraw/zinc/68/21/13/592682113.db2.gz GEQYNVARQITWQB-UHFFFAOYSA-N 1 2 245.282 1.821 20 0 BDADLO CC(C)c1cc(C(=O)NCc2cn(C)c[nH+]2)on1 ZINC000890113587 592684139 /nfs/dbraw/zinc/68/41/39/592684139.db2.gz JHTRWNLIXSTLKN-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO CCC/C(C)=C/C(=O)NCc1cn(C)c[nH+]1 ZINC000890113914 592684390 /nfs/dbraw/zinc/68/43/90/592684390.db2.gz CGDHXMIHEBPYRU-UXBLZVDNSA-N 1 2 221.304 1.783 20 0 BDADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)O ZINC000890466299 592702275 /nfs/dbraw/zinc/70/22/75/592702275.db2.gz XNKDWFZVAVRVJW-VIFPVBQESA-N 1 2 247.298 1.224 20 0 BDADLO O=C([O-])C1([NH2+]CCn2cc[nH+]c2)CCCCC1 ZINC000042543478 598075859 /nfs/dbraw/zinc/07/58/59/598075859.db2.gz YIEZTXJDMKWDOA-UHFFFAOYSA-N 1 2 237.303 1.260 20 0 BDADLO C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000306109009 598102715 /nfs/dbraw/zinc/10/27/15/598102715.db2.gz VBUWETVOKXLLSB-MCIGGMRASA-N 1 2 240.347 1.314 20 0 BDADLO C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000306109009 598102716 /nfs/dbraw/zinc/10/27/16/598102716.db2.gz VBUWETVOKXLLSB-MCIGGMRASA-N 1 2 240.347 1.314 20 0 BDADLO O=C([O-])CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738587443 600095006 /nfs/dbraw/zinc/09/50/06/600095006.db2.gz NKNPYLHRXBUCNZ-NSHDSACASA-N 1 2 249.314 1.290 20 0 BDADLO O=C([O-])CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738587443 600095008 /nfs/dbraw/zinc/09/50/08/600095008.db2.gz NKNPYLHRXBUCNZ-NSHDSACASA-N 1 2 249.314 1.290 20 0 BDADLO CC(C)[NH2+][C@H]1CCC[N@H+](CCCC(=O)[O-])C1 ZINC000309422635 600318274 /nfs/dbraw/zinc/31/82/74/600318274.db2.gz ZYQTWZMYWJIDFQ-NSHDSACASA-N 1 2 228.336 1.314 20 0 BDADLO CC(C)[NH2+][C@H]1CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000309422635 600318277 /nfs/dbraw/zinc/31/82/77/600318277.db2.gz ZYQTWZMYWJIDFQ-NSHDSACASA-N 1 2 228.336 1.314 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000381224161 601007465 /nfs/dbraw/zinc/00/74/65/601007465.db2.gz JJKGQLQBCNBOIH-BDAKNGLRSA-N 1 2 223.276 1.062 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000381224161 601007468 /nfs/dbraw/zinc/00/74/68/601007468.db2.gz JJKGQLQBCNBOIH-BDAKNGLRSA-N 1 2 223.276 1.062 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1cccc(F)c1 ZINC000258683649 635186978 /nfs/dbraw/zinc/18/69/78/635186978.db2.gz CMLUFHOIWGLWMA-UHFFFAOYSA-N 1 2 239.290 1.909 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1cccc(F)c1 ZINC000259071803 635239954 /nfs/dbraw/zinc/23/99/54/635239954.db2.gz LWLPMZZSNPSGSX-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1cccc(F)c1 ZINC000259071803 635239961 /nfs/dbraw/zinc/23/99/61/635239961.db2.gz LWLPMZZSNPSGSX-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO O=C(CC1CC1)N1CCC[N@@H+](CCF)CC1 ZINC000980613415 635244150 /nfs/dbraw/zinc/24/41/50/635244150.db2.gz YKPLOEPGSDBDGS-UHFFFAOYSA-N 1 2 228.311 1.290 20 0 BDADLO O=C(CC1CC1)N1CCC[N@H+](CCF)CC1 ZINC000980613415 635244154 /nfs/dbraw/zinc/24/41/54/635244154.db2.gz YKPLOEPGSDBDGS-UHFFFAOYSA-N 1 2 228.311 1.290 20 0 BDADLO CN(C)c1cc(N2CCC3(CC3)C2)nc[nH+]1 ZINC000893681561 635445143 /nfs/dbraw/zinc/44/51/43/635445143.db2.gz JGAIVQWWBVXAJH-UHFFFAOYSA-N 1 2 218.304 1.533 20 0 BDADLO CN(C)c1cc(N2CCC3(CC3)C2)[nH+]cn1 ZINC000893681561 635445146 /nfs/dbraw/zinc/44/51/46/635445146.db2.gz JGAIVQWWBVXAJH-UHFFFAOYSA-N 1 2 218.304 1.533 20 0 BDADLO CNc1cc(NCc2ncc(C)o2)nc[nH+]1 ZINC000231689871 635506412 /nfs/dbraw/zinc/50/64/12/635506412.db2.gz DCXNMQCVYJZWKQ-UHFFFAOYSA-N 1 2 219.248 1.427 20 0 BDADLO CNc1cc(NCc2ncc(C)o2)[nH+]cn1 ZINC000231689871 635506420 /nfs/dbraw/zinc/50/64/20/635506420.db2.gz DCXNMQCVYJZWKQ-UHFFFAOYSA-N 1 2 219.248 1.427 20 0 BDADLO O=C(N[C@H]1CCCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC000932151710 635599734 /nfs/dbraw/zinc/59/97/34/635599734.db2.gz NHITXDJQCKOEBT-JTQLQIEISA-N 1 2 245.282 1.472 20 0 BDADLO C[C@H](NCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000090814862 631233429 /nfs/dbraw/zinc/23/34/29/631233429.db2.gz MWCPBDBIBCEPOK-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)CCO1 ZINC000075609043 631270420 /nfs/dbraw/zinc/27/04/20/631270420.db2.gz ZUIBHESXTSAYRL-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)CCO1 ZINC000075609043 631270424 /nfs/dbraw/zinc/27/04/24/631270424.db2.gz ZUIBHESXTSAYRL-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]12 ZINC000308299191 631271850 /nfs/dbraw/zinc/27/18/50/631271850.db2.gz ZUDVWZXMPFIMJW-SAHABTAZSA-N 1 2 222.115 1.476 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]12 ZINC000308299191 631271852 /nfs/dbraw/zinc/27/18/52/631271852.db2.gz ZUDVWZXMPFIMJW-SAHABTAZSA-N 1 2 222.115 1.476 20 0 BDADLO Nc1ccc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000308373952 631312660 /nfs/dbraw/zinc/31/26/60/631312660.db2.gz IGEFXIXJQBNEMY-IAZYJMLFSA-N 1 2 231.299 1.326 20 0 BDADLO Nc1ccc(CNC(=O)CC[C@H]2CCCO2)c[nH+]1 ZINC000308375792 631312792 /nfs/dbraw/zinc/31/27/92/631312792.db2.gz LUZSWKQVNULZMO-LLVKDONJSA-N 1 2 249.314 1.239 20 0 BDADLO Cc1nnc(C[NH2+]C2([C@@H]3CCCCO3)CC2)o1 ZINC000933375202 631340146 /nfs/dbraw/zinc/34/01/46/631340146.db2.gz HCNNLKBKJAMVJO-JTQLQIEISA-N 1 2 237.303 1.569 20 0 BDADLO O=C(N[C@@H]1CCSC1)c1cc2c[nH+]ccc2[nH]1 ZINC000933684748 631486764 /nfs/dbraw/zinc/48/67/64/631486764.db2.gz PIVDMEVICAGIKY-SECBINFHSA-N 1 2 247.323 1.798 20 0 BDADLO CC(C)NC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934004396 631582776 /nfs/dbraw/zinc/58/27/76/631582776.db2.gz QVOLWGVWUPZZEX-UHFFFAOYSA-N 1 2 236.315 1.769 20 0 BDADLO CC(C)NC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934004396 631582783 /nfs/dbraw/zinc/58/27/83/631582783.db2.gz QVOLWGVWUPZZEX-UHFFFAOYSA-N 1 2 236.315 1.769 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H]2CO)nc1Cl ZINC000934013969 631593413 /nfs/dbraw/zinc/59/34/13/631593413.db2.gz YKDKQNHTUHWANH-JTQLQIEISA-N 1 2 226.707 1.610 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H]2CO)nc1Cl ZINC000934013969 631593418 /nfs/dbraw/zinc/59/34/18/631593418.db2.gz YKDKQNHTUHWANH-JTQLQIEISA-N 1 2 226.707 1.610 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H]2CO)cc(Cl)n1 ZINC000934018098 631613405 /nfs/dbraw/zinc/61/34/05/631613405.db2.gz JARACQUMJKITBZ-SNVBAGLBSA-N 1 2 226.707 1.610 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H]2CO)cc(Cl)n1 ZINC000934018098 631613413 /nfs/dbraw/zinc/61/34/13/631613413.db2.gz JARACQUMJKITBZ-SNVBAGLBSA-N 1 2 226.707 1.610 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]2CO)sc1C ZINC000934020218 631619712 /nfs/dbraw/zinc/61/97/12/631619712.db2.gz YGPCGNRQOJJDKU-SECBINFHSA-N 1 2 212.318 1.327 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]2CO)sc1C ZINC000934020218 631619720 /nfs/dbraw/zinc/61/97/20/631619720.db2.gz YGPCGNRQOJJDKU-SECBINFHSA-N 1 2 212.318 1.327 20 0 BDADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCNC1=O ZINC000924874005 635685984 /nfs/dbraw/zinc/68/59/84/635685984.db2.gz VHEDKVUAUZNJSB-VHSXEESVSA-N 1 2 249.314 1.229 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccco1 ZINC000308815082 631666195 /nfs/dbraw/zinc/66/61/95/631666195.db2.gz AVJWXKFHJCYPNN-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)c1 ZINC000934479384 631873000 /nfs/dbraw/zinc/87/30/00/631873000.db2.gz RCCBKRHPEOFEBD-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@@]2(C)C2CC2)c1 ZINC000934479384 631873007 /nfs/dbraw/zinc/87/30/07/631873007.db2.gz RCCBKRHPEOFEBD-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934567371 631932967 /nfs/dbraw/zinc/93/29/67/631932967.db2.gz PZXDGJQTJQSHPQ-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cnccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934567371 631932969 /nfs/dbraw/zinc/93/29/69/631932969.db2.gz PZXDGJQTJQSHPQ-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO C/C=C/COC(=O)CCc1ccc(N)[nH+]c1 ZINC000309260236 631981611 /nfs/dbraw/zinc/98/16/11/631981611.db2.gz HSGJTDSYXOHJDX-NSCUHMNNSA-N 1 2 220.272 1.716 20 0 BDADLO CO[C@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000309301882 631994343 /nfs/dbraw/zinc/99/43/43/631994343.db2.gz UGIVXJRDOCYXMG-MRVPVSSYSA-N 1 2 224.260 1.132 20 0 BDADLO COCC1(C(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000927778209 635747535 /nfs/dbraw/zinc/74/75/35/635747535.db2.gz UHXCXESAZBOUQI-UHFFFAOYSA-N 1 2 249.314 1.097 20 0 BDADLO CS[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777461 635743859 /nfs/dbraw/zinc/74/38/59/635743859.db2.gz AGWSGCVASAXDSW-ZETCQYMHSA-N 1 2 225.317 1.032 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc(F)n2)c1 ZINC000309508677 632434849 /nfs/dbraw/zinc/43/48/49/632434849.db2.gz OGOYMLZPKMCDGB-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+][C@@H](C)COC ZINC000309526402 632469751 /nfs/dbraw/zinc/46/97/51/632469751.db2.gz BFXRXMBONQDLOG-GXSJLCMTSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1cccc(F)c1 ZINC000310112091 632700738 /nfs/dbraw/zinc/70/07/38/632700738.db2.gz ASWLTXCGNWVNHZ-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179513606 632739534 /nfs/dbraw/zinc/73/95/34/632739534.db2.gz OPDWPJNCQBQOTE-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc[nH]n2)c1C1CC1 ZINC000892515181 632868631 /nfs/dbraw/zinc/86/86/31/632868631.db2.gz HDMUNBXAPJJMAO-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO CCCNc1cc(N(C)CCOCC)nc[nH+]1 ZINC000158430006 632938046 /nfs/dbraw/zinc/93/80/46/632938046.db2.gz YLEHIYSXLGFXTP-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCCNc1cc(N(C)CCOCC)[nH+]cn1 ZINC000158430006 632938052 /nfs/dbraw/zinc/93/80/52/632938052.db2.gz YLEHIYSXLGFXTP-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCCOC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000310985408 633040958 /nfs/dbraw/zinc/04/09/58/633040958.db2.gz KFLXCKXYEYAVKP-UHFFFAOYSA-N 1 2 249.314 1.750 20 0 BDADLO CN(C)c1cc(N[C@@H]2C=CCC2)[nH+]cn1 ZINC000894522652 635906579 /nfs/dbraw/zinc/90/65/79/635906579.db2.gz MXPQACWWWZBDRV-SECBINFHSA-N 1 2 204.277 1.673 20 0 BDADLO CN(C)c1cc(N[C@@H]2C=CCC2)nc[nH+]1 ZINC000894522652 635906582 /nfs/dbraw/zinc/90/65/82/635906582.db2.gz MXPQACWWWZBDRV-SECBINFHSA-N 1 2 204.277 1.673 20 0 BDADLO Cc1coc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000894536799 635907194 /nfs/dbraw/zinc/90/71/94/635907194.db2.gz DAEHTEHWRPTRSA-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000894536799 635907198 /nfs/dbraw/zinc/90/71/98/635907198.db2.gz DAEHTEHWRPTRSA-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)nc1 ZINC000163881536 633066004 /nfs/dbraw/zinc/06/60/04/633066004.db2.gz MDCXXHFVMZWHQS-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000894536798 635908109 /nfs/dbraw/zinc/90/81/09/635908109.db2.gz DAEHTEHWRPTRSA-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000894536798 635908114 /nfs/dbraw/zinc/90/81/14/635908114.db2.gz DAEHTEHWRPTRSA-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cnn(C)n1 ZINC000926816827 633130425 /nfs/dbraw/zinc/13/04/25/633130425.db2.gz PMOIZDWFFVRUAH-NXEZZACHSA-N 1 2 246.318 1.197 20 0 BDADLO Nc1cc(COC(=O)c2cc[nH]c2)cc[nH+]1 ZINC000309552929 633193140 /nfs/dbraw/zinc/19/31/40/633193140.db2.gz KYYFWZBSVNLLCD-UHFFFAOYSA-N 1 2 217.228 1.349 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccccn2)[C@H]1C ZINC000895117423 636063439 /nfs/dbraw/zinc/06/34/39/636063439.db2.gz SWAYZYSCQDHZNG-DCAQKATOSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccccn2)[C@H]1C ZINC000895117423 636063443 /nfs/dbraw/zinc/06/34/43/636063443.db2.gz SWAYZYSCQDHZNG-DCAQKATOSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000909465506 636080971 /nfs/dbraw/zinc/08/09/71/636080971.db2.gz CMECKCQNNZENGB-VIFPVBQESA-N 1 2 221.304 1.742 20 0 BDADLO C[N@@H+]1CC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC000928553033 636087506 /nfs/dbraw/zinc/08/75/06/636087506.db2.gz BRJHTQBDGHUMGC-LURJTMIESA-N 1 2 245.735 1.230 20 0 BDADLO C[N@H+]1CC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC000928553033 636087511 /nfs/dbraw/zinc/08/75/11/636087511.db2.gz BRJHTQBDGHUMGC-LURJTMIESA-N 1 2 245.735 1.230 20 0 BDADLO CCCCCC[NH2+][C@](C)(CO)C(=O)OC ZINC000852156871 633726999 /nfs/dbraw/zinc/72/69/99/633726999.db2.gz CRYOENKFOMQECD-LLVKDONJSA-N 1 2 217.309 1.080 20 0 BDADLO CCCCCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000852156879 633727074 /nfs/dbraw/zinc/72/70/74/633727074.db2.gz CRYOENKFOMQECD-NSHDSACASA-N 1 2 217.309 1.080 20 0 BDADLO C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ncco1 ZINC000926863091 633729577 /nfs/dbraw/zinc/72/95/77/633729577.db2.gz CFIHZDGCUIBBLH-GXSJLCMTSA-N 1 2 249.314 1.336 20 0 BDADLO CC1(C)C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000309250966 633877509 /nfs/dbraw/zinc/87/75/09/633877509.db2.gz DXICALNTNJKQOD-VIFPVBQESA-N 1 2 220.272 1.753 20 0 BDADLO COc1cc[nH+]c(NCc2[nH]ncc2C)c1 ZINC000309874387 633885130 /nfs/dbraw/zinc/88/51/30/633885130.db2.gz RYZFTVJKCOATRA-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO CC(C)C[C@H](CO)N(C)c1nccn2c[nH+]cc12 ZINC000893246713 633971511 /nfs/dbraw/zinc/97/15/11/633971511.db2.gz QMROKUAHXUVVPM-LLVKDONJSA-N 1 2 248.330 1.573 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1nccc2c1CCCC2 ZINC000895472856 636148151 /nfs/dbraw/zinc/14/81/51/636148151.db2.gz KEDHXPQKLJJHII-UHFFFAOYSA-N 1 2 247.342 1.138 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000895472856 636148156 /nfs/dbraw/zinc/14/81/56/636148156.db2.gz KEDHXPQKLJJHII-UHFFFAOYSA-N 1 2 247.342 1.138 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](C)C1(CO)CC1 ZINC000895476169 636148217 /nfs/dbraw/zinc/14/82/17/636148217.db2.gz RRIWTLPMENOWFB-UHFFFAOYSA-N 1 2 243.738 1.582 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](C)C1(CO)CC1 ZINC000895476169 636148220 /nfs/dbraw/zinc/14/82/20/636148220.db2.gz RRIWTLPMENOWFB-UHFFFAOYSA-N 1 2 243.738 1.582 20 0 BDADLO CC(=O)c1cncc(C(=O)OCC[NH+]2CCC2)c1 ZINC000893265290 634010201 /nfs/dbraw/zinc/01/02/01/634010201.db2.gz DQBRREAIDJOVTO-UHFFFAOYSA-N 1 2 248.282 1.147 20 0 BDADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2CC2)[nH]n1 ZINC000895476876 636149860 /nfs/dbraw/zinc/14/98/60/636149860.db2.gz MSVZLMSYQLGBJI-NSHDSACASA-N 1 2 234.303 1.069 20 0 BDADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2CC2)[nH]n1 ZINC000895476876 636149866 /nfs/dbraw/zinc/14/98/66/636149866.db2.gz MSVZLMSYQLGBJI-NSHDSACASA-N 1 2 234.303 1.069 20 0 BDADLO COC(=O)/C(C)=C/CNc1cc[nH+]cc1F ZINC000895514660 636154464 /nfs/dbraw/zinc/15/44/64/636154464.db2.gz XBDVMPAQEUCRAG-FPYGCLRLSA-N 1 2 224.235 1.174 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH]cn1)[C@H](O)C(F)(F)F ZINC000310022047 634082004 /nfs/dbraw/zinc/08/20/04/634082004.db2.gz NVNYWXAMKAYKKL-SFYZADRCSA-N 1 2 237.225 1.201 20 0 BDADLO CCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162627526 634236805 /nfs/dbraw/zinc/23/68/05/634236805.db2.gz CAXYVGOBYVZPKP-UHFFFAOYSA-N 1 2 236.319 1.988 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCc1cocn1 ZINC000398004925 634246146 /nfs/dbraw/zinc/24/61/46/634246146.db2.gz VEFCZAXYHVHDBL-UHFFFAOYSA-N 1 2 228.255 1.595 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(C)nn1 ZINC000931181069 634256742 /nfs/dbraw/zinc/25/67/42/634256742.db2.gz RYMKGIQKYVWNBW-UONOGXRCSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(C)nn1 ZINC000931181069 634256745 /nfs/dbraw/zinc/25/67/45/634256745.db2.gz RYMKGIQKYVWNBW-UONOGXRCSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cccn(CCCc2c[nH+]cn2C)c1=O ZINC000314145768 635114456 /nfs/dbraw/zinc/11/44/56/635114456.db2.gz HYPSSOUKLLQXGM-UHFFFAOYSA-N 1 2 231.299 1.523 20 0 BDADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccon1)C1CC1 ZINC001027709569 635122322 /nfs/dbraw/zinc/12/23/22/635122322.db2.gz VWKAJFOEQTXPDY-LBPRGKRZSA-N 1 2 249.314 1.165 20 0 BDADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccon1)C1CC1 ZINC001027709569 635122328 /nfs/dbraw/zinc/12/23/28/635122328.db2.gz VWKAJFOEQTXPDY-LBPRGKRZSA-N 1 2 249.314 1.165 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccon2)c(C(C)(C)C)n1 ZINC000093967209 635146609 /nfs/dbraw/zinc/14/66/09/635146609.db2.gz KLGIQOJESZMHLB-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO C[C@@H]1[C@@H](CO)CCCN1c1nccn2c[nH+]cc12 ZINC000894224085 635756894 /nfs/dbraw/zinc/75/68/94/635756894.db2.gz VHABYSYACWZIFA-GHMZBOCLSA-N 1 2 246.314 1.327 20 0 BDADLO Cc1cnccc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895118007 636065127 /nfs/dbraw/zinc/06/51/27/636065127.db2.gz FFEVCMRQFNBDND-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cnccc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895118007 636065129 /nfs/dbraw/zinc/06/51/29/636065129.db2.gz FFEVCMRQFNBDND-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccnc(NCc2cc(N(C)C)cc[nH+]2)n1 ZINC000895465604 636146593 /nfs/dbraw/zinc/14/65/93/636146593.db2.gz LOUNSDJGVVGNNQ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000895907333 636182284 /nfs/dbraw/zinc/18/22/84/636182284.db2.gz BOFXRBZBXBGLHU-WPRPVWTQSA-N 1 2 208.261 1.021 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](C1CC1)C1CCC1 ZINC000909566950 636255973 /nfs/dbraw/zinc/25/59/73/636255973.db2.gz XHGUDTBZIOSSBZ-ZDUSSCGKSA-N 1 2 233.315 1.647 20 0 BDADLO Cc1nc(N2CC[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000897120700 636269914 /nfs/dbraw/zinc/26/99/14/636269914.db2.gz XBQIIDBVFASPDS-SNVBAGLBSA-N 1 2 233.315 1.235 20 0 BDADLO C[C@H]1C[N@H+](Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000751926781 636449977 /nfs/dbraw/zinc/44/99/77/636449977.db2.gz IDMGXOHNTCSHHA-PHIMTYICSA-N 1 2 246.314 1.041 20 0 BDADLO C[C@H]1C[N@@H+](Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000751926781 636449988 /nfs/dbraw/zinc/44/99/88/636449988.db2.gz IDMGXOHNTCSHHA-PHIMTYICSA-N 1 2 246.314 1.041 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2cncnc2)c[nH+]1 ZINC000897412479 636612178 /nfs/dbraw/zinc/61/21/78/636612178.db2.gz VYHCVVPMPJBXAJ-UHFFFAOYSA-N 1 2 245.286 1.355 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000074673414 636652178 /nfs/dbraw/zinc/65/21/78/636652178.db2.gz WVNSNJWFGXORCG-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO CCCN(CCC)C(=O)Cc1c[nH+]c[nH]1 ZINC000074673418 636653122 /nfs/dbraw/zinc/65/31/22/636653122.db2.gz JCWHKZVFMSFXBU-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ncco1 ZINC000925287309 636727332 /nfs/dbraw/zinc/72/73/32/636727332.db2.gz COXTVFJPTRORCX-KXUCPTDWSA-N 1 2 208.261 1.262 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]CCN1CCCCC1 ZINC000924622790 636935567 /nfs/dbraw/zinc/93/55/67/636935567.db2.gz HDUHHMBDTOWYRY-JTQLQIEISA-N 1 2 238.335 1.515 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC(=O)C(F)F ZINC000923890565 637002967 /nfs/dbraw/zinc/00/29/67/637002967.db2.gz YVMDGMZEZGMFDL-QMMMGPOBSA-N 1 2 249.257 1.237 20 0 BDADLO CC(C)[N@H+]1CCC[C@H]1C(=O)OCC(=O)C(F)F ZINC000923890565 637002968 /nfs/dbraw/zinc/00/29/68/637002968.db2.gz YVMDGMZEZGMFDL-QMMMGPOBSA-N 1 2 249.257 1.237 20 0 BDADLO Cc1cccn2cc(CCNC(=O)CCF)[nH+]c12 ZINC000900921586 637205890 /nfs/dbraw/zinc/20/58/90/637205890.db2.gz FKONKLKDIURPFJ-UHFFFAOYSA-N 1 2 249.289 1.661 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(C=O)[nH]2)[nH+]c1C ZINC000900999245 637224941 /nfs/dbraw/zinc/22/49/41/637224941.db2.gz ZTTYCPVKZGYDLY-UHFFFAOYSA-N 1 2 246.270 1.097 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000901026352 637226891 /nfs/dbraw/zinc/22/68/91/637226891.db2.gz LMXPMEIZLAJDBO-RKDXNWHRSA-N 1 2 207.277 1.352 20 0 BDADLO COC/C=C\c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904265448 637395261 /nfs/dbraw/zinc/39/52/61/637395261.db2.gz KAUHFJHSUWQLSI-ARJAWSKDSA-N 1 2 246.270 1.682 20 0 BDADLO CC(=O)c1nn(C)cc1OCc1ccc[nH+]c1N ZINC000904435428 637403295 /nfs/dbraw/zinc/40/32/95/637403295.db2.gz ILCKUHDRWNGUCN-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO COc1c(C)c[nH+]c(CNCc2ccon2)c1C ZINC000148841709 637477409 /nfs/dbraw/zinc/47/74/09/637477409.db2.gz MWQZWVMWHQOMJS-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905016452 637550084 /nfs/dbraw/zinc/55/00/84/637550084.db2.gz DSYISJKUYHGUCP-UHFFFAOYSA-N 1 2 222.288 1.383 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCO2)c(C)[nH+]1 ZINC000905025565 637574498 /nfs/dbraw/zinc/57/44/98/637574498.db2.gz GCTXPNDSRBGFJR-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO c1nc2n(c1CNc1cccc[nH+]1)CCOC2 ZINC000905406868 637798876 /nfs/dbraw/zinc/79/88/76/637798876.db2.gz ROLBVNDBCCCHFQ-UHFFFAOYSA-N 1 2 230.271 1.420 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC000905587058 637855095 /nfs/dbraw/zinc/85/50/95/637855095.db2.gz RRLFMIMYIUUHSL-NSHDSACASA-N 1 2 248.326 1.868 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@H](C(=O)OC)[C@H](C)CC)C1 ZINC000905778626 637908057 /nfs/dbraw/zinc/90/80/57/637908057.db2.gz KPTBRCYFQLONDP-KKOKHZNYSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)OC ZINC000905767999 637923202 /nfs/dbraw/zinc/92/32/02/637923202.db2.gz PLFCDVJCFALVIT-DMDPSCGWSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CC1=CCOCC1)C(=O)OC ZINC000905769640 637925600 /nfs/dbraw/zinc/92/56/00/637925600.db2.gz IJVUSNXYUODDDT-ZYHUDNBSSA-N 1 2 241.331 1.510 20 0 BDADLO CCC(C)(C)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815460 637941598 /nfs/dbraw/zinc/94/15/98/637941598.db2.gz IBKHAZDCZQIKET-UHFFFAOYSA-N 1 2 245.330 1.991 20 0 BDADLO CCCC(=O)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905814657 637942134 /nfs/dbraw/zinc/94/21/34/637942134.db2.gz CMLKBXXEBLWZCQ-UHFFFAOYSA-N 1 2 245.286 1.286 20 0 BDADLO CC(=O)CCn1cc(C[N@H+]2CCC[C@@H]2C)nn1 ZINC000906272927 638123945 /nfs/dbraw/zinc/12/39/45/638123945.db2.gz QHAVHQGCYXIQHB-JTQLQIEISA-N 1 2 236.319 1.242 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@@H]2C)nn1 ZINC000906272927 638123948 /nfs/dbraw/zinc/12/39/48/638123948.db2.gz QHAVHQGCYXIQHB-JTQLQIEISA-N 1 2 236.319 1.242 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906291224 638132637 /nfs/dbraw/zinc/13/26/37/638132637.db2.gz VICFLFOIOLLLGQ-MRVPVSSYSA-N 1 2 242.273 1.700 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906291224 638132641 /nfs/dbraw/zinc/13/26/41/638132641.db2.gz VICFLFOIOLLLGQ-MRVPVSSYSA-N 1 2 242.273 1.700 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCCOCC2)c(C)[nH+]1 ZINC000906446943 638167773 /nfs/dbraw/zinc/16/77/73/638167773.db2.gz AHJKQTFSUQSVAD-UHFFFAOYSA-N 1 2 248.326 1.869 20 0 BDADLO CCCC[NH+]1CC(n2cc(C(C)=O)nn2)C1 ZINC000906538073 638205803 /nfs/dbraw/zinc/20/58/03/638205803.db2.gz WUVJQBBWVLOFAZ-UHFFFAOYSA-N 1 2 222.292 1.138 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000906659898 638233504 /nfs/dbraw/zinc/23/35/04/638233504.db2.gz GPBDMRQGFICWOX-ADEWGFFLSA-N 1 2 234.299 1.421 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000906660316 638233807 /nfs/dbraw/zinc/23/38/07/638233807.db2.gz ICUDZIPQJIIPJY-PWSUYJOCSA-N 1 2 234.299 1.566 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2ccon2)c(C)[nH+]1 ZINC000906888911 638270503 /nfs/dbraw/zinc/27/05/03/638270503.db2.gz KEZVRNHTMGAYAV-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H](C)CCO)c(C)[nH+]1 ZINC000907024357 638290240 /nfs/dbraw/zinc/29/02/40/638290240.db2.gz YQSBQMGYHBRUOF-SECBINFHSA-N 1 2 236.315 1.508 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC(C)(O)C2)c(C)[nH+]1 ZINC000907078382 638295215 /nfs/dbraw/zinc/29/52/15/638295215.db2.gz MXURTDMNCLPBSG-UHFFFAOYSA-N 1 2 234.299 1.214 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC12CCC(CC1)C2 ZINC000907334983 638347426 /nfs/dbraw/zinc/34/74/26/638347426.db2.gz OHIKFMMVIOYENW-UHFFFAOYSA-N 1 2 245.326 1.942 20 0 BDADLO C/C(=C(/F)C(=O)NC1C[NH+](C(C)C)C1)C1CC1 ZINC000907515177 638400252 /nfs/dbraw/zinc/40/02/52/638400252.db2.gz LEILTPKXTDLAQD-XFXZXTDPSA-N 1 2 240.322 1.849 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000907733484 638459276 /nfs/dbraw/zinc/45/92/76/638459276.db2.gz IMUZELUPFZKVGK-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO CC1(C)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907843223 638494906 /nfs/dbraw/zinc/49/49/06/638494906.db2.gz DKYHXBBBQALDIN-UHFFFAOYSA-N 1 2 219.288 1.362 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907909607 638509376 /nfs/dbraw/zinc/50/93/76/638509376.db2.gz AVEGUIFYTOSWGG-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1cc(C)c(C(=O)NCCF)c(C)[nH+]1 ZINC000907950660 638519485 /nfs/dbraw/zinc/51/94/85/638519485.db2.gz ULZCSNQFUSZPDF-UHFFFAOYSA-N 1 2 210.252 1.706 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC(F)(F)C1 ZINC000907935083 638525433 /nfs/dbraw/zinc/52/54/33/638525433.db2.gz HQXWQRLVSMBYBE-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO CON(CC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908152843 638574334 /nfs/dbraw/zinc/57/43/34/638574334.db2.gz NOCMVKBYIJKVKS-UHFFFAOYSA-N 1 2 225.292 1.388 20 0 BDADLO CCC(CC)N(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000908240327 638620976 /nfs/dbraw/zinc/62/09/76/638620976.db2.gz UNMIYEZRUNUWEB-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C2CC2)C1 ZINC000908237050 638621060 /nfs/dbraw/zinc/62/10/60/638621060.db2.gz IVSXHAIBWWSNEJ-LLVKDONJSA-N 1 2 233.315 1.601 20 0 BDADLO Cn1nc(NC(=O)Cc2c[nH]c[nH+]2)cc1C1CC1 ZINC000908263293 638626196 /nfs/dbraw/zinc/62/61/96/638626196.db2.gz OKAJNKHJVVXICJ-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927486298 638654778 /nfs/dbraw/zinc/65/47/78/638654778.db2.gz GLPLXYAWHSENCY-GVXVVHGQSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927486298 638654781 /nfs/dbraw/zinc/65/47/81/638654781.db2.gz GLPLXYAWHSENCY-GVXVVHGQSA-N 1 2 247.342 1.895 20 0 BDADLO Cc1ncoc1CNC(=O)CNc1cccc[nH+]1 ZINC000908336537 638656746 /nfs/dbraw/zinc/65/67/46/638656746.db2.gz UBEGFAQDVVJVMV-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BDADLO CC(C)[C@H]1N(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000908379902 638676001 /nfs/dbraw/zinc/67/60/01/638676001.db2.gz ITGQOOKAJICHGX-GFCCVEGCSA-N 1 2 235.331 1.845 20 0 BDADLO CCN(CC(C)=O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000908385992 638684396 /nfs/dbraw/zinc/68/43/96/638684396.db2.gz UCGWXFHPRMNAMQ-JTQLQIEISA-N 1 2 237.303 1.272 20 0 BDADLO CC[C@@H](C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908541900 639008489 /nfs/dbraw/zinc/00/84/89/639008489.db2.gz BTMXLSWGGJCFTH-KOLCDFICSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000908759177 639064027 /nfs/dbraw/zinc/06/40/27/639064027.db2.gz AHMCYYCQYOYSKU-SECBINFHSA-N 1 2 231.255 1.139 20 0 BDADLO CO[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC000909913033 639257051 /nfs/dbraw/zinc/25/70/51/639257051.db2.gz ZVFOWOXPDOZJHN-WDEREUQCSA-N 1 2 249.314 1.026 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000909901163 639263406 /nfs/dbraw/zinc/26/34/06/639263406.db2.gz NILAXMITUAUNMU-CMPLNLGQSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)[C@H]1C ZINC000910932060 639533841 /nfs/dbraw/zinc/53/38/41/639533841.db2.gz HRIHGITZUODOPM-UTLUCORTSA-N 1 2 221.304 1.455 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000910932057 639534499 /nfs/dbraw/zinc/53/44/99/639534499.db2.gz HRIHGITZUODOPM-BBBLOLIVSA-N 1 2 221.304 1.455 20 0 BDADLO CC(C)c1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000910913082 639536879 /nfs/dbraw/zinc/53/68/79/639536879.db2.gz RQRUYDXLBZDXSO-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CC1(C)C ZINC000910928360 639540444 /nfs/dbraw/zinc/54/04/44/639540444.db2.gz WYRQWUFHZIBKDI-WDEREUQCSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000911188398 639591020 /nfs/dbraw/zinc/59/10/20/639591020.db2.gz SMPOLUHYWHKKRC-KOLCDFICSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930223477 639642682 /nfs/dbraw/zinc/64/26/82/639642682.db2.gz XXTUDYJGLZTTEI-LPWJVIDDSA-N 1 2 247.342 1.682 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344619 639716109 /nfs/dbraw/zinc/71/61/09/639716109.db2.gz ZBJTVPKNUCYSMM-OTVCUZDGSA-N 1 2 235.274 1.545 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344619 639716113 /nfs/dbraw/zinc/71/61/13/639716113.db2.gz ZBJTVPKNUCYSMM-OTVCUZDGSA-N 1 2 235.274 1.545 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930462734 639764773 /nfs/dbraw/zinc/76/47/73/639764773.db2.gz OBZQBAJFOWLMLD-ZDUSSCGKSA-N 1 2 246.310 1.345 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930462734 639764782 /nfs/dbraw/zinc/76/47/82/639764782.db2.gz OBZQBAJFOWLMLD-ZDUSSCGKSA-N 1 2 246.310 1.345 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1ccc(N)nc1 ZINC000930580500 639813399 /nfs/dbraw/zinc/81/33/99/639813399.db2.gz JATVKGQPZXVYIN-UHFFFAOYSA-N 1 2 246.314 1.846 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1ccc(N)nc1 ZINC000930580500 639813400 /nfs/dbraw/zinc/81/34/00/639813400.db2.gz JATVKGQPZXVYIN-UHFFFAOYSA-N 1 2 246.314 1.846 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2c(F)cncc2F)CC1 ZINC000930589208 639814787 /nfs/dbraw/zinc/81/47/87/639814787.db2.gz KBUYRIBEZCRJKU-VIFPVBQESA-N 1 2 242.269 1.707 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2c(F)cncc2F)CC1 ZINC000930589208 639814788 /nfs/dbraw/zinc/81/47/88/639814788.db2.gz KBUYRIBEZCRJKU-VIFPVBQESA-N 1 2 242.269 1.707 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CC[C@H](F)C1 ZINC000930602840 639817346 /nfs/dbraw/zinc/81/73/46/639817346.db2.gz DZDJHTPBAMZFFX-RDOCRHDPSA-N 1 2 201.241 1.150 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CC[C@H](F)C1 ZINC000930602840 639817347 /nfs/dbraw/zinc/81/73/47/639817347.db2.gz DZDJHTPBAMZFFX-RDOCRHDPSA-N 1 2 201.241 1.150 20 0 BDADLO C[C@@H]([N@H+](C)Cc1c(F)cncc1F)C(C)(C)O ZINC000930613545 639820970 /nfs/dbraw/zinc/82/09/70/639820970.db2.gz ISONGRPQLRIFHS-MRVPVSSYSA-N 1 2 244.285 1.951 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1c(F)cncc1F)C(C)(C)O ZINC000930613545 639820971 /nfs/dbraw/zinc/82/09/71/639820971.db2.gz ISONGRPQLRIFHS-MRVPVSSYSA-N 1 2 244.285 1.951 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1c(F)cncc1F ZINC000930624119 639827882 /nfs/dbraw/zinc/82/78/82/639827882.db2.gz LCTARVXEADDWBR-PRHODGIISA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1c(F)cncc1F ZINC000930624119 639827884 /nfs/dbraw/zinc/82/78/84/639827884.db2.gz LCTARVXEADDWBR-PRHODGIISA-N 1 2 242.269 1.705 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC=C(Cl)C1 ZINC000911835178 639844915 /nfs/dbraw/zinc/84/49/15/639844915.db2.gz LXDDRYMKGBCCAV-UHFFFAOYSA-N 1 2 225.679 1.238 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H](F)C1 ZINC000911925027 639881430 /nfs/dbraw/zinc/88/14/30/639881430.db2.gz DDHININAAZACQO-SNVBAGLBSA-N 1 2 237.278 1.454 20 0 BDADLO Cc1ccnc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1 ZINC000930837163 639933231 /nfs/dbraw/zinc/93/32/31/639933231.db2.gz LACLJAJQHIWANN-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccnc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1 ZINC000930837163 639933240 /nfs/dbraw/zinc/93/32/40/639933240.db2.gz LACLJAJQHIWANN-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cncc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC000930836478 639933564 /nfs/dbraw/zinc/93/35/64/639933564.db2.gz HMANPVIFGKKWBE-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cncc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC000930836478 639933567 /nfs/dbraw/zinc/93/35/67/639933567.db2.gz HMANPVIFGKKWBE-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO CC1(C)C[C@](C)([NH2+]CCC2(O)CCC2)C(=O)O1 ZINC000930871499 639961989 /nfs/dbraw/zinc/96/19/89/639961989.db2.gz CVISTADALLBNMM-LBPRGKRZSA-N 1 2 241.331 1.365 20 0 BDADLO CCOC(=O)/C=C\C[NH2+][C@@H](C)c1cscn1 ZINC000930966400 640001910 /nfs/dbraw/zinc/00/19/10/640001910.db2.gz WLVDGIFIBXISIQ-WBSSQXGSSA-N 1 2 240.328 1.913 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccc(N)nc2)C[C@@H](C)C1=O ZINC000930973141 640008007 /nfs/dbraw/zinc/00/80/07/640008007.db2.gz SURGKXWOKHXECU-NXEZZACHSA-N 1 2 233.315 1.321 20 0 BDADLO CC[C@H](C)N(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000912279206 640012871 /nfs/dbraw/zinc/01/28/71/640012871.db2.gz SAAMNFJJBNNPCO-VIFPVBQESA-N 1 2 209.293 1.599 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCOC2CC2)CCO1 ZINC000931081327 640061624 /nfs/dbraw/zinc/06/16/24/640061624.db2.gz ZDZSLTNOUXGRRM-NSHDSACASA-N 1 2 235.274 1.521 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCOC2CC2)CCO1 ZINC000931081327 640061635 /nfs/dbraw/zinc/06/16/35/640061635.db2.gz ZDZSLTNOUXGRRM-NSHDSACASA-N 1 2 235.274 1.521 20 0 BDADLO CC(C)CC[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931137996 640071071 /nfs/dbraw/zinc/07/10/71/640071071.db2.gz VVTPTGYMWVDAEV-JTQLQIEISA-N 1 2 208.309 1.988 20 0 BDADLO CC(C)CC[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931137996 640071076 /nfs/dbraw/zinc/07/10/76/640071076.db2.gz VVTPTGYMWVDAEV-JTQLQIEISA-N 1 2 208.309 1.988 20 0 BDADLO FC1(F)CC(C[N@@H+]2CCC[C@H]2c2nnc[nH]2)C1 ZINC000931140673 640076505 /nfs/dbraw/zinc/07/65/05/640076505.db2.gz UCWOUZGMLYRGFP-VIFPVBQESA-N 1 2 242.273 1.987 20 0 BDADLO FC1(F)CC(C[N@H+]2CCC[C@H]2c2nnc[nH]2)C1 ZINC000931140673 640076512 /nfs/dbraw/zinc/07/65/12/640076512.db2.gz UCWOUZGMLYRGFP-VIFPVBQESA-N 1 2 242.273 1.987 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912583000 640121761 /nfs/dbraw/zinc/12/17/61/640121761.db2.gz AGQXZYGZWNROBH-CNVPUSNMSA-N 1 2 249.314 1.115 20 0 BDADLO CCC/C=C/[C@H](O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912585305 640122506 /nfs/dbraw/zinc/12/25/06/640122506.db2.gz RMHUQKCGXNKCEL-XVHVLHHCSA-N 1 2 249.314 1.161 20 0 BDADLO C/C(Cl)=C\C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615491 640140953 /nfs/dbraw/zinc/14/09/53/640140953.db2.gz YKWRLPBMBKHMLJ-RMKNXTFCSA-N 1 2 241.722 1.877 20 0 BDADLO COCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931413766 640185635 /nfs/dbraw/zinc/18/56/35/640185635.db2.gz FRPZFRRXKNRXIR-SECBINFHSA-N 1 2 247.298 1.718 20 0 BDADLO FC(F)[C@H]1CCN1CCCn1cc[nH+]c1 ZINC000931424763 640193464 /nfs/dbraw/zinc/19/34/64/640193464.db2.gz KYBVZURMPSOJSU-SECBINFHSA-N 1 2 215.247 1.613 20 0 BDADLO Cc1cc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)ncn1 ZINC000931463388 640222788 /nfs/dbraw/zinc/22/27/88/640222788.db2.gz VLJLGYJGMPKLPV-SECBINFHSA-N 1 2 243.314 1.627 20 0 BDADLO Cc1cc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)ncn1 ZINC000931463388 640222791 /nfs/dbraw/zinc/22/27/91/640222791.db2.gz VLJLGYJGMPKLPV-SECBINFHSA-N 1 2 243.314 1.627 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2nncs2)[C@@H]1CO ZINC000931501681 640237263 /nfs/dbraw/zinc/23/72/63/640237263.db2.gz GHZIGGOCVVJKFM-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2nncs2)[C@@H]1CO ZINC000931501681 640237267 /nfs/dbraw/zinc/23/72/67/640237267.db2.gz GHZIGGOCVVJKFM-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+][C@@H](CC)CO ZINC000931614515 640291213 /nfs/dbraw/zinc/29/12/13/640291213.db2.gz WQFUPEUOPGCWEM-WDEREUQCSA-N 1 2 229.320 1.079 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccns1 ZINC000913057816 640296473 /nfs/dbraw/zinc/29/64/73/640296473.db2.gz WTNYTEJNNKWNEW-UHFFFAOYSA-N 1 2 236.300 1.448 20 0 BDADLO CC[N@H+](C)Cc1ncc(Br)cn1 ZINC000931867892 640382336 /nfs/dbraw/zinc/38/23/36/640382336.db2.gz DAULMVIDGMWIQE-UHFFFAOYSA-N 1 2 230.109 1.691 20 0 BDADLO CC[N@@H+](C)Cc1ncc(Br)cn1 ZINC000931867892 640382342 /nfs/dbraw/zinc/38/23/42/640382342.db2.gz DAULMVIDGMWIQE-UHFFFAOYSA-N 1 2 230.109 1.691 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)no1 ZINC000931935333 640395042 /nfs/dbraw/zinc/39/50/42/640395042.db2.gz DNUYRTFXONPCDY-SNVBAGLBSA-N 1 2 248.286 1.664 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)no1 ZINC000931935333 640395048 /nfs/dbraw/zinc/39/50/48/640395048.db2.gz DNUYRTFXONPCDY-SNVBAGLBSA-N 1 2 248.286 1.664 20 0 BDADLO C/C(=C\C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000055010014 640429008 /nfs/dbraw/zinc/42/90/08/640429008.db2.gz XHMSIJKCPPUXHM-CSKARUKUSA-N 1 2 219.288 1.356 20 0 BDADLO CNc1cc(NCC2(O)CCCCC2)[nH+]cn1 ZINC000156430012 640453646 /nfs/dbraw/zinc/45/36/46/640453646.db2.gz WRDXXTLTENEQAP-UHFFFAOYSA-N 1 2 236.319 1.625 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932337695 640480515 /nfs/dbraw/zinc/48/05/15/640480515.db2.gz ZSBVPCGWBFEUAT-DTWKUNHWSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932337695 640480522 /nfs/dbraw/zinc/48/05/22/640480522.db2.gz ZSBVPCGWBFEUAT-DTWKUNHWSA-N 1 2 224.308 1.285 20 0 BDADLO CCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001030036060 640523030 /nfs/dbraw/zinc/52/30/30/640523030.db2.gz QLRPOBWIWPWEDB-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001030036137 640523948 /nfs/dbraw/zinc/52/39/48/640523948.db2.gz DVWLZIMHPBPVSD-UHFFFAOYSA-N 1 2 236.290 1.476 20 0 BDADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)C=CCC1 ZINC000932475416 640542676 /nfs/dbraw/zinc/54/26/76/640542676.db2.gz PCEZPWUVFAHIFX-LBPRGKRZSA-N 1 2 219.288 1.425 20 0 BDADLO C[C@H]1COC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000932502647 640559514 /nfs/dbraw/zinc/55/95/14/640559514.db2.gz WISBSZMMBGWOFB-IONNQARKSA-N 1 2 223.276 1.072 20 0 BDADLO COC[C@@H](C)[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030060407 640560358 /nfs/dbraw/zinc/56/03/58/640560358.db2.gz DPHPMWXLRHTDMX-LLVKDONJSA-N 1 2 248.326 1.136 20 0 BDADLO CO[C@H](C)C[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030062291 640561234 /nfs/dbraw/zinc/56/12/34/640561234.db2.gz BKXJZRUIDMWDQF-LLVKDONJSA-N 1 2 248.326 1.136 20 0 BDADLO CCCNc1cc(N[C@H](C)CCCO)nc[nH+]1 ZINC000157060522 640566838 /nfs/dbraw/zinc/56/68/38/640566838.db2.gz NYVXIKYYAPPMSH-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(N[C@H](C)CCCO)[nH+]cn1 ZINC000157060522 640566840 /nfs/dbraw/zinc/56/68/40/640566840.db2.gz NYVXIKYYAPPMSH-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO Cc1ccc(C(=O)NC2C[NH+](CCCF)C2)o1 ZINC001030076174 640580298 /nfs/dbraw/zinc/58/02/98/640580298.db2.gz DZTZKXUEWPVRPK-UHFFFAOYSA-N 1 2 240.278 1.362 20 0 BDADLO CSCC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000932589991 640580935 /nfs/dbraw/zinc/58/09/35/640580935.db2.gz RVCNAHFZKZRQAQ-UHFFFAOYSA-N 1 2 225.361 1.985 20 0 BDADLO Cc1occc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030088563 640584449 /nfs/dbraw/zinc/58/44/49/640584449.db2.gz GSOBNHQZHCIHFT-UHFFFAOYSA-N 1 2 240.278 1.362 20 0 BDADLO COC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932610554 640586381 /nfs/dbraw/zinc/58/63/81/640586381.db2.gz MDULARSDCNAMEF-UHFFFAOYSA-N 1 2 231.255 1.034 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000932641971 640595551 /nfs/dbraw/zinc/59/55/51/640595551.db2.gz OWTCZISTJHENHK-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000932641971 640595560 /nfs/dbraw/zinc/59/55/60/640595560.db2.gz OWTCZISTJHENHK-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO C[C@H](F)CC[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030105639 640597065 /nfs/dbraw/zinc/59/70/65/640597065.db2.gz OEWXSUDBJVSUIR-VIFPVBQESA-N 1 2 240.278 1.442 20 0 BDADLO CC(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932829594 640614899 /nfs/dbraw/zinc/61/48/99/640614899.db2.gz FDLPAZKLWVEBHS-UHFFFAOYSA-N 1 2 239.237 1.212 20 0 BDADLO CCSCC[N@@H+]1CCCC(=O)[C@H]1C ZINC000932852326 640624319 /nfs/dbraw/zinc/62/43/19/640624319.db2.gz USNPDJBMGCLJMQ-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CCSCC[N@H+]1CCCC(=O)[C@H]1C ZINC000932852326 640624321 /nfs/dbraw/zinc/62/43/21/640624321.db2.gz USNPDJBMGCLJMQ-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc(F)nc1 ZINC000224612822 640627764 /nfs/dbraw/zinc/62/77/64/640627764.db2.gz BELHITHNKPRACB-UHFFFAOYSA-N 1 2 234.234 1.446 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001030193467 640669410 /nfs/dbraw/zinc/66/94/10/640669410.db2.gz YOQDPQPDYSEOBI-WDNDVIMCSA-N 1 2 248.370 1.799 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@H](C)OC)n1 ZINC000166805671 640677454 /nfs/dbraw/zinc/67/74/54/640677454.db2.gz WLUHZUMQCGFFGT-QMMMGPOBSA-N 1 2 213.281 1.147 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CC2(C)C)C1 ZINC001030222514 640692359 /nfs/dbraw/zinc/69/23/59/640692359.db2.gz GIUMVTOOSCSTFJ-LBPRGKRZSA-N 1 2 236.359 1.799 20 0 BDADLO CCNC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046467450 640770715 /nfs/dbraw/zinc/77/07/15/640770715.db2.gz SOPRZMUCMFNPBV-SNVBAGLBSA-N 1 2 238.335 1.617 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226592475 640779315 /nfs/dbraw/zinc/77/93/15/640779315.db2.gz HFHFJCABGKOHIK-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2C2OCCO2)cn1 ZINC000933908217 640786406 /nfs/dbraw/zinc/78/64/06/640786406.db2.gz HMAAPKIHPSGZBU-GFCCVEGCSA-N 1 2 249.314 1.122 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]2C2OCCO2)cn1 ZINC000933908217 640786413 /nfs/dbraw/zinc/78/64/13/640786413.db2.gz HMAAPKIHPSGZBU-GFCCVEGCSA-N 1 2 249.314 1.122 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2CCc3cccnc32)n1 ZINC000226826931 640798248 /nfs/dbraw/zinc/79/82/48/640798248.db2.gz AVAOHNNRRPLXOK-GFCCVEGCSA-N 1 2 228.299 1.592 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3occc3[nH]2)C1 ZINC001030387219 640812912 /nfs/dbraw/zinc/81/29/12/640812912.db2.gz KTSMJVOMWZLBPP-UHFFFAOYSA-N 1 2 233.271 1.195 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001030410871 640834315 /nfs/dbraw/zinc/83/43/15/640834315.db2.gz BKBKIXGNQCKTDF-QMMMGPOBSA-N 1 2 232.274 1.242 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001030513635 640891391 /nfs/dbraw/zinc/89/13/91/640891391.db2.gz OSGVICFQVXEZAG-GFCCVEGCSA-N 1 2 236.359 1.943 20 0 BDADLO COCC[NH2+]Cc1nc([C@@H]2CCCS2)no1 ZINC000087699825 640977307 /nfs/dbraw/zinc/97/73/07/640977307.db2.gz OLACYQUOJTYASZ-QMMMGPOBSA-N 1 2 243.332 1.374 20 0 BDADLO Cn1c[nH+]cc1COc1ccc(C=O)cc1F ZINC000229779931 640979351 /nfs/dbraw/zinc/97/93/51/640979351.db2.gz XDDJOJKQBNBKAJ-UHFFFAOYSA-N 1 2 234.230 1.951 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H]2CC[C@H]2OC)o1 ZINC000934131278 641089504 /nfs/dbraw/zinc/08/95/04/641089504.db2.gz OZQAVAPKXQTZMQ-WDEREUQCSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H]2CC[C@H]2OC)o1 ZINC000934131278 641089514 /nfs/dbraw/zinc/08/95/14/641089514.db2.gz OZQAVAPKXQTZMQ-WDEREUQCSA-N 1 2 224.304 1.846 20 0 BDADLO CCC[C@@](C)(O)CNc1cc(NC)nc[nH+]1 ZINC000230726118 641091812 /nfs/dbraw/zinc/09/18/12/641091812.db2.gz XSOJAKZEFMUDNS-LLVKDONJSA-N 1 2 224.308 1.481 20 0 BDADLO CCCCC1([NH2+]CC(=O)N=S(C)(C)=O)CC1 ZINC000934200408 641099098 /nfs/dbraw/zinc/09/90/98/641099098.db2.gz HTZDNRGXGWZYLN-UHFFFAOYSA-N 1 2 246.376 1.553 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934234300 641111177 /nfs/dbraw/zinc/11/11/77/641111177.db2.gz KMRWDTCWXGWHCO-VHSXEESVSA-N 1 2 222.288 1.164 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCSC[C@@H]1C ZINC000172831683 641113798 /nfs/dbraw/zinc/11/37/98/641113798.db2.gz NMCWORJCSRFKMQ-UWVGGRQHSA-N 1 2 231.361 1.765 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCSC[C@@H]1C ZINC000172831683 641113807 /nfs/dbraw/zinc/11/38/07/641113807.db2.gz NMCWORJCSRFKMQ-UWVGGRQHSA-N 1 2 231.361 1.765 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@H](Cc3nccs3)C2)n1 ZINC000934335185 641126123 /nfs/dbraw/zinc/12/61/23/641126123.db2.gz YFXVNYLKCHOJDQ-SNVBAGLBSA-N 1 2 248.355 1.931 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)n1 ZINC000934335185 641126126 /nfs/dbraw/zinc/12/61/26/641126126.db2.gz YFXVNYLKCHOJDQ-SNVBAGLBSA-N 1 2 248.355 1.931 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCOC12CCCC2)C(=O)OC ZINC000934390920 641138903 /nfs/dbraw/zinc/13/89/03/641138903.db2.gz LFKKAEXINQBEBG-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCOC23CCCC3)no1 ZINC000934395585 641141144 /nfs/dbraw/zinc/14/11/44/641141144.db2.gz LEILNRHYNXTHFM-JTQLQIEISA-N 1 2 237.303 1.569 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934475044 641166818 /nfs/dbraw/zinc/16/68/18/641166818.db2.gz IMGRTICJRXZLDD-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934475044 641166824 /nfs/dbraw/zinc/16/68/24/641166824.db2.gz IMGRTICJRXZLDD-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO CCC[C@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000173309973 641168077 /nfs/dbraw/zinc/16/80/77/641168077.db2.gz WKWROTGYEOJCGU-NSHDSACASA-N 1 2 242.388 1.641 20 0 BDADLO O[C@H]1CC[N@H+](CCCOC(F)(F)F)C[C@@H]1F ZINC000934567753 641198918 /nfs/dbraw/zinc/19/89/18/641198918.db2.gz RMVIHEVUEZIYRO-YUMQZZPRSA-N 1 2 245.216 1.318 20 0 BDADLO O[C@H]1CC[N@@H+](CCCOC(F)(F)F)C[C@@H]1F ZINC000934567753 641198920 /nfs/dbraw/zinc/19/89/20/641198920.db2.gz RMVIHEVUEZIYRO-YUMQZZPRSA-N 1 2 245.216 1.318 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934567942 641198945 /nfs/dbraw/zinc/19/89/45/641198945.db2.gz SXYZARFHTNCGRW-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncsc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934567942 641198949 /nfs/dbraw/zinc/19/89/49/641198949.db2.gz SXYZARFHTNCGRW-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO COC[C@@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000088001095 641224839 /nfs/dbraw/zinc/22/48/39/641224839.db2.gz ITBBCGHWEQCVBT-SECBINFHSA-N 1 2 225.292 1.764 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@H]2CCCS2)no1 ZINC000088001276 641225400 /nfs/dbraw/zinc/22/54/00/641225400.db2.gz GMESTTPTWJJGQP-NKWVEPMBSA-N 1 2 229.305 1.284 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@]2(C)C=CCC2)C1 ZINC001030804533 641360165 /nfs/dbraw/zinc/36/01/65/641360165.db2.gz YGLQQUBWCWRLQZ-GFCCVEGCSA-N 1 2 208.305 1.163 20 0 BDADLO O=C(N[C@@H](CO)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935203275 641362973 /nfs/dbraw/zinc/36/29/73/641362973.db2.gz UGFFVPNTGCYNAG-LBPRGKRZSA-N 1 2 245.282 1.064 20 0 BDADLO C[C@@H](c1nc(Cc2ccon2)no1)[NH+](C)C ZINC000350608935 641371818 /nfs/dbraw/zinc/37/18/18/641371818.db2.gz TZHWLBRGDJISOD-ZETCQYMHSA-N 1 2 222.248 1.271 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001030869916 641392359 /nfs/dbraw/zinc/39/23/59/641392359.db2.gz VZJXHWOBUSLGDE-GHMZBOCLSA-N 1 2 224.348 1.633 20 0 BDADLO CCOC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935492031 641419761 /nfs/dbraw/zinc/41/97/61/641419761.db2.gz KPHBOPIXCRAQIH-VIFPVBQESA-N 1 2 247.298 1.718 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnn2c1CCCC2 ZINC000913666900 641453323 /nfs/dbraw/zinc/45/33/23/641453323.db2.gz PAGHXCAVOCJPAV-UHFFFAOYSA-N 1 2 245.286 1.124 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001030939557 641474141 /nfs/dbraw/zinc/47/41/41/641474141.db2.gz CAGXLXDWITZGLO-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1C=CCC1 ZINC000913796719 641480270 /nfs/dbraw/zinc/48/02/70/641480270.db2.gz KGWVSPSLAAHICA-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC12CCC2 ZINC000913811693 641483776 /nfs/dbraw/zinc/48/37/76/641483776.db2.gz KZIHFKMTXUHEPN-SECBINFHSA-N 1 2 205.261 1.011 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CC12CCC2 ZINC000913813254 641485790 /nfs/dbraw/zinc/48/57/90/641485790.db2.gz QZLFRLFDYAFLAL-JTQLQIEISA-N 1 2 231.299 1.552 20 0 BDADLO CC1(CCC(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000935924968 641503450 /nfs/dbraw/zinc/50/34/50/641503450.db2.gz QCXYUACSEUXUHG-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCCO2)c(N(C)C)[nH+]1 ZINC000152862332 641659753 /nfs/dbraw/zinc/65/97/53/641659753.db2.gz UDKBOIPZYUSLOP-NSHDSACASA-N 1 2 249.314 1.574 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](CF)C1 ZINC000914426235 641667617 /nfs/dbraw/zinc/66/76/17/641667617.db2.gz BMPJFXHOJYZPNF-SECBINFHSA-N 1 2 225.267 1.160 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cccc(C)c2)no1 ZINC000159330010 641676789 /nfs/dbraw/zinc/67/67/89/641676789.db2.gz WSBLHNPNEQLIFM-SNVBAGLBSA-N 1 2 233.271 1.691 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000159333409 641677356 /nfs/dbraw/zinc/67/73/56/641677356.db2.gz BLWGUAWBKGOPEB-SECBINFHSA-N 1 2 237.234 1.522 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000159329883 641677449 /nfs/dbraw/zinc/67/74/49/641677449.db2.gz AOSAEOSHGWYRTP-JTQLQIEISA-N 1 2 233.271 1.691 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(F)F)CCC[N@@H+]1CCF ZINC000992948948 641683608 /nfs/dbraw/zinc/68/36/08/641683608.db2.gz NVFKCHRENBVJFF-HTQZYQBOSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(F)F)CCC[N@H+]1CCF ZINC000992948948 641683612 /nfs/dbraw/zinc/68/36/12/641683612.db2.gz NVFKCHRENBVJFF-HTQZYQBOSA-N 1 2 238.253 1.190 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2nc(C)c[nH]2)C1 ZINC001031079244 641685134 /nfs/dbraw/zinc/68/51/34/641685134.db2.gz LBRZSEDOOBQDDV-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+]C1CCOCC1 ZINC000187907841 641733823 /nfs/dbraw/zinc/73/38/23/641733823.db2.gz CBVCRCZNZOHGES-JTQLQIEISA-N 1 2 229.320 1.343 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000754381366 641761088 /nfs/dbraw/zinc/76/10/88/641761088.db2.gz ADOMOKWCTNKKQM-IUCAKERBSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000754381366 641761091 /nfs/dbraw/zinc/76/10/91/641761091.db2.gz ADOMOKWCTNKKQM-IUCAKERBSA-N 1 2 225.292 1.407 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001031170083 641767475 /nfs/dbraw/zinc/76/74/75/641767475.db2.gz KYQJAJPLZYITAU-MNOVXSKESA-N 1 2 210.321 1.099 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC(O)(CC)CC1 ZINC000075858842 641775592 /nfs/dbraw/zinc/77/55/92/641775592.db2.gz GPIWPBZFZULIST-UHFFFAOYSA-N 1 2 243.347 1.567 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000189283889 641799181 /nfs/dbraw/zinc/79/91/81/641799181.db2.gz UXPFQCRGHXQKGZ-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000189283889 641799186 /nfs/dbraw/zinc/79/91/86/641799186.db2.gz UXPFQCRGHXQKGZ-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)[C@H](C)[N@H+](C)Cn1ncn(C)c1=S ZINC000915210006 641809312 /nfs/dbraw/zinc/80/93/12/641809312.db2.gz XLXGULJOORSHPW-VIFPVBQESA-N 1 2 228.365 1.885 20 0 BDADLO CC(C)[C@H](C)[N@@H+](C)Cn1ncn(C)c1=S ZINC000915210006 641809316 /nfs/dbraw/zinc/80/93/16/641809316.db2.gz XLXGULJOORSHPW-VIFPVBQESA-N 1 2 228.365 1.885 20 0 BDADLO CCN(C(=O)c1ccoc1C)C1C[NH+](CC)C1 ZINC000949647891 641850841 /nfs/dbraw/zinc/85/08/41/641850841.db2.gz CFGXHBRJZQNMJX-UHFFFAOYSA-N 1 2 236.315 1.754 20 0 BDADLO C/C(=C/C(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000788048274 641867884 /nfs/dbraw/zinc/86/78/84/641867884.db2.gz YNDUODLQUXXTLC-YFHOEESVSA-N 1 2 234.299 1.862 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)cc2)C1 ZINC001031301397 641875441 /nfs/dbraw/zinc/87/54/41/641875441.db2.gz VKKJARBVFFCSNB-UHFFFAOYSA-N 1 2 218.300 1.429 20 0 BDADLO CCc1ncoc1C(=O)N1CC[NH+](CC)CC1 ZINC000950406822 641920158 /nfs/dbraw/zinc/92/01/58/641920158.db2.gz LGLGBALYXDKHBH-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO Cc1ncc(CSCC[NH+]2CCOCC2)o1 ZINC000916534787 641946166 /nfs/dbraw/zinc/94/61/66/641946166.db2.gz YBKXSYGGYORCLM-UHFFFAOYSA-N 1 2 242.344 1.548 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCc2cn[nH]c2C1 ZINC000930069608 642326995 /nfs/dbraw/zinc/32/69/95/642326995.db2.gz PYAUZYCLHIWGEK-KMKOMSMNSA-N 1 2 221.304 1.361 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCc2cn[nH]c2C1 ZINC000930069608 642327001 /nfs/dbraw/zinc/32/70/01/642327001.db2.gz PYAUZYCLHIWGEK-KMKOMSMNSA-N 1 2 221.304 1.361 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2CC2CC2)o1 ZINC000933216717 642395821 /nfs/dbraw/zinc/39/58/21/642395821.db2.gz YQVYMKRFLHGRBU-LBPRGKRZSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2CC2CC2)o1 ZINC000933216717 642395828 /nfs/dbraw/zinc/39/58/28/642395828.db2.gz YQVYMKRFLHGRBU-LBPRGKRZSA-N 1 2 236.315 1.984 20 0 BDADLO CSCCC[NH2+][C@@]1(C)CCOC1=O ZINC000308249911 642511562 /nfs/dbraw/zinc/51/15/62/642511562.db2.gz BDFOBANGTQMVKG-VIFPVBQESA-N 1 2 203.307 1.035 20 0 BDADLO CCOC[C@H](Nc1cc(NC)[nH+]cn1)C(C)C ZINC000233796897 642696163 /nfs/dbraw/zinc/69/61/63/642696163.db2.gz IDSZAAGDURUNLU-JTQLQIEISA-N 1 2 238.335 1.991 20 0 BDADLO CCOC[C@H](Nc1cc(NC)nc[nH+]1)C(C)C ZINC000233796897 642696176 /nfs/dbraw/zinc/69/61/76/642696176.db2.gz IDSZAAGDURUNLU-JTQLQIEISA-N 1 2 238.335 1.991 20 0 BDADLO C[C@H]1CC[N@H+](CCF)C[C@@H]1NC(=O)C(C)(C)F ZINC000964624758 642761278 /nfs/dbraw/zinc/76/12/78/642761278.db2.gz YJTORUDIIMMBHT-UWVGGRQHSA-N 1 2 248.317 1.531 20 0 BDADLO C[C@H]1CC[N@@H+](CCF)C[C@@H]1NC(=O)C(C)(C)F ZINC000964624758 642761286 /nfs/dbraw/zinc/76/12/86/642761286.db2.gz YJTORUDIIMMBHT-UWVGGRQHSA-N 1 2 248.317 1.531 20 0 BDADLO C[C@H]1CC[N@H+](CCF)C[C@H]1NC(=O)C(C)(C)F ZINC000964624759 642762766 /nfs/dbraw/zinc/76/27/66/642762766.db2.gz YJTORUDIIMMBHT-VHSXEESVSA-N 1 2 248.317 1.531 20 0 BDADLO C[C@H]1CC[N@@H+](CCF)C[C@H]1NC(=O)C(C)(C)F ZINC000964624759 642762773 /nfs/dbraw/zinc/76/27/73/642762773.db2.gz YJTORUDIIMMBHT-VHSXEESVSA-N 1 2 248.317 1.531 20 0 BDADLO CCC(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001009821603 642841910 /nfs/dbraw/zinc/84/19/10/642841910.db2.gz GAZBUFUABGSDGL-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001009821603 642841912 /nfs/dbraw/zinc/84/19/12/642841912.db2.gz GAZBUFUABGSDGL-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO COCC1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000181457292 642874005 /nfs/dbraw/zinc/87/40/05/642874005.db2.gz CKCNKQHJADURTM-UHFFFAOYSA-N 1 2 243.347 1.544 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(F)nc1 ZINC000181595532 642886208 /nfs/dbraw/zinc/88/62/08/642886208.db2.gz KMWFCGXNRXZZFN-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001015529840 642903058 /nfs/dbraw/zinc/90/30/58/642903058.db2.gz GTVHIFRKDPSVPZ-YPMHNXCESA-N 1 2 240.322 1.503 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001015529840 642903065 /nfs/dbraw/zinc/90/30/65/642903065.db2.gz GTVHIFRKDPSVPZ-YPMHNXCESA-N 1 2 240.322 1.503 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000069890316 642927938 /nfs/dbraw/zinc/92/79/38/642927938.db2.gz ALKXVGNRHXVWAY-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001031915994 643054824 /nfs/dbraw/zinc/05/48/24/643054824.db2.gz BEUDQHBVLZTYRS-GDNZZTSVSA-N 1 2 240.322 1.050 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000306496364 643328508 /nfs/dbraw/zinc/32/85/08/643328508.db2.gz DKPWXDKERCPDMT-SFYZADRCSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000306496364 643328518 /nfs/dbraw/zinc/32/85/18/643328518.db2.gz DKPWXDKERCPDMT-SFYZADRCSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@@H](CC(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000733986153 643486105 /nfs/dbraw/zinc/48/61/05/643486105.db2.gz YWGYRAUKEVYMSP-JTQLQIEISA-N 1 2 233.315 1.703 20 0 BDADLO CCC/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983330 643486138 /nfs/dbraw/zinc/48/61/38/643486138.db2.gz KZCLHYAXLKJRJG-SNAWJCMRSA-N 1 2 219.288 1.623 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC/C=C\Cl ZINC000891207370 643554323 /nfs/dbraw/zinc/55/43/23/643554323.db2.gz DMLHVNHPPUPMGY-RQOWECAXSA-N 1 2 227.695 1.532 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(CCF)c2)on1 ZINC000921688908 643746814 /nfs/dbraw/zinc/74/68/14/643746814.db2.gz KCIFQJDWZOFHLA-UHFFFAOYSA-N 1 2 238.266 1.439 20 0 BDADLO CC(=O)NCC1=CC[N@H+](Cc2nocc2C)CC1 ZINC001000350225 643778064 /nfs/dbraw/zinc/77/80/64/643778064.db2.gz YPKGWUGACCNSOW-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO CC(=O)NCC1=CC[N@@H+](Cc2nocc2C)CC1 ZINC001000350225 643778069 /nfs/dbraw/zinc/77/80/69/643778069.db2.gz YPKGWUGACCNSOW-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO C[C@H](C(=O)OCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000085987265 643878412 /nfs/dbraw/zinc/87/84/12/643878412.db2.gz RLDRGFSDOQRXCD-VIFPVBQESA-N 1 2 248.286 1.001 20 0 BDADLO CCc1ocnc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922470727 643997350 /nfs/dbraw/zinc/99/73/50/643997350.db2.gz RHIVFKLBVWJOFK-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO CC[C@@H](C)[C@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922509228 644007151 /nfs/dbraw/zinc/00/71/51/644007151.db2.gz CKMRYPIZYKWWDU-KCJUWKMLSA-N 1 2 238.287 1.114 20 0 BDADLO CC1(C(=O)OCc2ccc[nH+]c2N)CCC1 ZINC000922512054 644009117 /nfs/dbraw/zinc/00/91/17/644009117.db2.gz DXSOZZCEBVLPNE-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000922514401 644011788 /nfs/dbraw/zinc/01/17/88/644011788.db2.gz GAYYMPOHNHGLRO-KXGXSXBTSA-N 1 2 248.330 1.264 20 0 BDADLO CCOCC[N@H+](C)Cn1ncc(Cl)c1C ZINC000092885126 644017252 /nfs/dbraw/zinc/01/72/52/644017252.db2.gz ADLMHOSAZXSEAT-UHFFFAOYSA-N 1 2 231.727 1.771 20 0 BDADLO CCOCC[N@@H+](C)Cn1ncc(Cl)c1C ZINC000092885126 644017255 /nfs/dbraw/zinc/01/72/55/644017255.db2.gz ADLMHOSAZXSEAT-UHFFFAOYSA-N 1 2 231.727 1.771 20 0 BDADLO Nc1ccc(COC(=O)C2=CCCC2)c[nH+]1 ZINC000922528716 644017423 /nfs/dbraw/zinc/01/74/23/644017423.db2.gz CMJFULUZFPMMKJ-UHFFFAOYSA-N 1 2 218.256 1.817 20 0 BDADLO CC[C@@H](C)OCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922550626 644018306 /nfs/dbraw/zinc/01/83/06/644018306.db2.gz IXMKGVVPOSUUIR-SECBINFHSA-N 1 2 238.287 1.522 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922582881 644034318 /nfs/dbraw/zinc/03/43/18/644034318.db2.gz OIBOBLDFWSDFCK-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2C[C@@]23CCOC3)c[nH+]1 ZINC000922613755 644041991 /nfs/dbraw/zinc/04/19/91/644041991.db2.gz KJDLYRWXIQVWQC-GXFFZTMASA-N 1 2 248.282 1.134 20 0 BDADLO CO[C@H](C(=O)OCc1ccc(N)[nH+]c1)C(C)C ZINC000922617759 644043412 /nfs/dbraw/zinc/04/34/12/644043412.db2.gz VPQWLTRRZOJRQY-NSHDSACASA-N 1 2 238.287 1.378 20 0 BDADLO C[C@H]1C[C@H](C(=O)OCc2ccc[nH+]c2N)CO1 ZINC000922631949 644045608 /nfs/dbraw/zinc/04/56/08/644045608.db2.gz XTUHCZVHAONEEX-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO CCCC[N@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000124406436 644045887 /nfs/dbraw/zinc/04/58/87/644045887.db2.gz ZWDGDAZQGMVACW-UHFFFAOYSA-N 1 2 246.310 1.972 20 0 BDADLO CCCC[N@@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000124406436 644045889 /nfs/dbraw/zinc/04/58/89/644045889.db2.gz ZWDGDAZQGMVACW-UHFFFAOYSA-N 1 2 246.310 1.972 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C/[C@H]1CCCO1 ZINC000922816361 644107204 /nfs/dbraw/zinc/10/72/04/644107204.db2.gz OMOXQXHNWPZWQH-MVIFTORASA-N 1 2 248.282 1.442 20 0 BDADLO Nc1ccc(COC(=O)C2(C(F)F)CC2)c[nH+]1 ZINC000922832036 644112386 /nfs/dbraw/zinc/11/23/86/644112386.db2.gz WIMMXFNXXAUBGC-UHFFFAOYSA-N 1 2 242.225 1.752 20 0 BDADLO CCn1cnc(C(=O)OCc2ccc[nH+]c2N)c1 ZINC000922868809 644124778 /nfs/dbraw/zinc/12/47/78/644124778.db2.gz BOUOZPXELQNCDU-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO Cn1nc(C[NH2+]Cc2cccnc2)cc1C1CC1 ZINC000922953579 644199184 /nfs/dbraw/zinc/19/91/84/644199184.db2.gz CKAMSRJQLSCVJZ-UHFFFAOYSA-N 1 2 242.326 1.982 20 0 BDADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1cnc[nH]1 ZINC000922947762 644199398 /nfs/dbraw/zinc/19/93/98/644199398.db2.gz PARICDMBZRXMEP-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO Cn1nnc(C[N@H+](C)C2CCCCCCC2)n1 ZINC000192974642 644204267 /nfs/dbraw/zinc/20/42/67/644204267.db2.gz WHCMEKBMQQCHBH-UHFFFAOYSA-N 1 2 237.351 1.755 20 0 BDADLO Cn1nnc(C[N@@H+](C)C2CCCCCCC2)n1 ZINC000192974642 644204275 /nfs/dbraw/zinc/20/42/75/644204275.db2.gz WHCMEKBMQQCHBH-UHFFFAOYSA-N 1 2 237.351 1.755 20 0 BDADLO CCN(C(=O)c1conc1C)C1C[NH+](CC)C1 ZINC000951592176 644258789 /nfs/dbraw/zinc/25/87/89/644258789.db2.gz KBMRSATWUGVGKR-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1nn(C)c(C[NH+]2CCC(O)CC2)c1Cl ZINC000084275453 644422935 /nfs/dbraw/zinc/42/29/35/644422935.db2.gz LTADHERZRFQMOD-UHFFFAOYSA-N 1 2 243.738 1.339 20 0 BDADLO COc1ccc2c(c1)C[C@H](Cn1cc[nH+]c1)O2 ZINC000199419054 644490931 /nfs/dbraw/zinc/49/09/31/644490931.db2.gz IKIZSYSXAYTDOC-GFCCVEGCSA-N 1 2 230.267 1.895 20 0 BDADLO C[C@H]1CC[N@H+](Cn2ncn(C)c2=S)C[C@H]1C ZINC000245794679 644542663 /nfs/dbraw/zinc/54/26/63/644542663.db2.gz YBSSXNFAYJFLFK-VHSXEESVSA-N 1 2 240.376 1.886 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2ncn(C)c2=S)C[C@H]1C ZINC000245794679 644542665 /nfs/dbraw/zinc/54/26/65/644542665.db2.gz YBSSXNFAYJFLFK-VHSXEESVSA-N 1 2 240.376 1.886 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)C1 ZINC000247542652 644645146 /nfs/dbraw/zinc/64/51/46/644645146.db2.gz YNTVIZVTEQJVPO-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2C[C@@H](C)OC(C)(C)C2)C1 ZINC000247542652 644645150 /nfs/dbraw/zinc/64/51/50/644645150.db2.gz YNTVIZVTEQJVPO-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO O=C1C[N@H+](Cc2ccoc2)[C@H]2CCCC[C@H]2N1 ZINC000092703435 644663629 /nfs/dbraw/zinc/66/36/29/644663629.db2.gz AQOYYKKDTGFWIT-NEPJUHHUSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccoc2)[C@H]2CCCC[C@H]2N1 ZINC000092703435 644663633 /nfs/dbraw/zinc/66/36/33/644663633.db2.gz AQOYYKKDTGFWIT-NEPJUHHUSA-N 1 2 234.299 1.523 20 0 BDADLO CCOCC[N@H+](C)Cn1cc[nH]c1=S ZINC000092885159 644671036 /nfs/dbraw/zinc/67/10/36/644671036.db2.gz XDTMNBDEHFGGLD-UHFFFAOYSA-N 1 2 215.322 1.471 20 0 BDADLO CCOCC[N@@H+](C)Cn1cc[nH]c1=S ZINC000092885159 644671038 /nfs/dbraw/zinc/67/10/38/644671038.db2.gz XDTMNBDEHFGGLD-UHFFFAOYSA-N 1 2 215.322 1.471 20 0 BDADLO CC[C@@H](CCO)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000094954270 644734495 /nfs/dbraw/zinc/73/44/95/644734495.db2.gz BZLCVAYVTPRHAZ-MNOVXSKESA-N 1 2 245.363 1.715 20 0 BDADLO CO[C@]1(C(F)(F)F)CCC[N@H+](CCF)C1 ZINC000781982521 644737563 /nfs/dbraw/zinc/73/75/63/644737563.db2.gz CLCBQGUMMJYOGC-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCF)C1 ZINC000781982521 644737573 /nfs/dbraw/zinc/73/75/73/644737573.db2.gz CLCBQGUMMJYOGC-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO CC(=O)CSCc1cc[nH+]c(N(C)C)c1 ZINC000782111777 644739075 /nfs/dbraw/zinc/73/90/75/644739075.db2.gz JYXCDOUKOANOFU-UHFFFAOYSA-N 1 2 224.329 1.970 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)/C=C\c1ccco1 ZINC000793239547 644801403 /nfs/dbraw/zinc/80/14/03/644801403.db2.gz CNMSPELDVPLBEV-PLNGDYQASA-N 1 2 246.266 1.812 20 0 BDADLO CSCCCC(=O)OCCc1c[nH+]cn1C ZINC000793237858 644801885 /nfs/dbraw/zinc/80/18/85/644801885.db2.gz JUVCLDBWRMCWJB-UHFFFAOYSA-N 1 2 242.344 1.649 20 0 BDADLO Cc1nonc1CSc1nc(N)cc(C)[nH+]1 ZINC000096570051 644821797 /nfs/dbraw/zinc/82/17/97/644821797.db2.gz XHZIGBWJNAHWJO-UHFFFAOYSA-N 1 2 237.288 1.351 20 0 BDADLO CC1(C)CCC(=O)N1C[N@@H+]1CCOC(C)(C)C1 ZINC000808139309 644875411 /nfs/dbraw/zinc/87/54/11/644875411.db2.gz CTNMFZFJNDMKQS-UHFFFAOYSA-N 1 2 240.347 1.456 20 0 BDADLO CC1(C)CCC(=O)N1C[N@H+]1CCOC(C)(C)C1 ZINC000808139309 644875414 /nfs/dbraw/zinc/87/54/14/644875414.db2.gz CTNMFZFJNDMKQS-UHFFFAOYSA-N 1 2 240.347 1.456 20 0 BDADLO CC1(C)CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000808140970 644876095 /nfs/dbraw/zinc/87/60/95/644876095.db2.gz IRIKISGXQNZMFW-UHFFFAOYSA-N 1 2 228.361 1.251 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(C(F)F)CC1 ZINC000830026286 645114637 /nfs/dbraw/zinc/11/46/37/645114637.db2.gz CSBIBQSJQJAIDE-UHFFFAOYSA-N 1 2 230.214 1.472 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)C2(CCC2)CO1 ZINC000846067879 645396142 /nfs/dbraw/zinc/39/61/42/645396142.db2.gz ZUXIAYKGCCDDDY-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C2(CCC2)CO1 ZINC000846067879 645396145 /nfs/dbraw/zinc/39/61/45/645396145.db2.gz ZUXIAYKGCCDDDY-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO Cc1ncccc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000926759724 645409296 /nfs/dbraw/zinc/40/92/96/645409296.db2.gz FTDQVYMBUYHRMN-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1nonc1C ZINC000926760420 645409640 /nfs/dbraw/zinc/40/96/40/645409640.db2.gz ZSHADVVNFYINSR-NMLBEHRDSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1ccnc([C@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)c1 ZINC000846980696 645412318 /nfs/dbraw/zinc/41/23/18/645412318.db2.gz SRNMSYAFMYSHTQ-AAEUAGOBSA-N 1 2 246.310 1.495 20 0 BDADLO Cc1ccnc([C@H]2CC[N@H+]([C@H]3CCOC3=O)C2)c1 ZINC000846980696 645412325 /nfs/dbraw/zinc/41/23/25/645412325.db2.gz SRNMSYAFMYSHTQ-AAEUAGOBSA-N 1 2 246.310 1.495 20 0 BDADLO CC1(C)C[N@H+](CN2CCC2=O)[C@H]1[C@H]1CCCO1 ZINC000857237478 645541428 /nfs/dbraw/zinc/54/14/28/645541428.db2.gz QUGJUOUMCQQFFL-PWSUYJOCSA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)C[N@@H+](CN2CCC2=O)[C@H]1[C@H]1CCCO1 ZINC000857237478 645541436 /nfs/dbraw/zinc/54/14/36/645541436.db2.gz QUGJUOUMCQQFFL-PWSUYJOCSA-N 1 2 238.331 1.066 20 0 BDADLO Cc1ccncc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857447404 645562262 /nfs/dbraw/zinc/56/22/62/645562262.db2.gz IMHWZNKDVDBRLX-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO Cc1ncc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000857475214 645571259 /nfs/dbraw/zinc/57/12/59/645571259.db2.gz DMVQAUCAFCCFAP-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO Cc1cc(O)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857473856 645571534 /nfs/dbraw/zinc/57/15/34/645571534.db2.gz HSXULGLSQUWLDG-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000857474309 645571835 /nfs/dbraw/zinc/57/18/35/645571835.db2.gz ADORLHUWEJIYLC-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO CCc1nc(CNC(=O)CCn2cc[nH+]c2)co1 ZINC000857526791 645597538 /nfs/dbraw/zinc/59/75/38/645597538.db2.gz JLGVFVYJVGSQMX-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927463497 645618592 /nfs/dbraw/zinc/61/85/92/645618592.db2.gz PMLDHCPPSCKQNN-GXFFZTMASA-N 1 2 233.315 1.649 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927480141 645622130 /nfs/dbraw/zinc/62/21/30/645622130.db2.gz LUPFLUFWAXPSMB-SRVKXCTJSA-N 1 2 247.342 1.895 20 0 BDADLO Cc1cc(CNC(=O)OCCF)cc(C)[nH+]1 ZINC000859194223 645674693 /nfs/dbraw/zinc/67/46/93/645674693.db2.gz KWTNYAGEIVKKLB-UHFFFAOYSA-N 1 2 226.251 1.894 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc(Cl)cs1 ZINC000877606172 645801308 /nfs/dbraw/zinc/80/13/08/645801308.db2.gz RZQVICDNEJEQAH-RNFRBKRXSA-N 1 2 248.735 1.300 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2COC[C@H]2C)c(C)[nH+]1 ZINC000928899673 645884164 /nfs/dbraw/zinc/88/41/64/645884164.db2.gz XCFJLCJGRIANNU-BXKDBHETSA-N 1 2 248.326 1.772 20 0 BDADLO FCCCc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000924083128 645975582 /nfs/dbraw/zinc/97/55/82/645975582.db2.gz AZNZAMUANLBOGJ-HTQZYQBOSA-N 1 2 236.250 1.966 20 0 BDADLO COCC1(c2noc([C@@H](C)[NH+](C)C)n2)CC1 ZINC000924170982 646002486 /nfs/dbraw/zinc/00/24/86/646002486.db2.gz ZFTUAZFXDFQFFP-MRVPVSSYSA-N 1 2 225.292 1.370 20 0 BDADLO COc1nnc(C[N@H+](C)[C@H](C)C2CC2)s1 ZINC000929203844 646003340 /nfs/dbraw/zinc/00/33/40/646003340.db2.gz PIIHYWKJMAMUAF-SSDOTTSWSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@@H+](C)[C@H](C)C2CC2)s1 ZINC000929203844 646003357 /nfs/dbraw/zinc/00/33/57/646003357.db2.gz PIIHYWKJMAMUAF-SSDOTTSWSA-N 1 2 227.333 1.777 20 0 BDADLO CC(C)(C)c1nc(C[NH+]2CCC(O)CC2)co1 ZINC000929238958 646029174 /nfs/dbraw/zinc/02/91/74/646029174.db2.gz VAISNQIFJCOEGY-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)cc(C)n1 ZINC000929259774 646035808 /nfs/dbraw/zinc/03/58/08/646035808.db2.gz MZYJKNGOYKWSPX-UHFFFAOYSA-N 1 2 249.358 1.609 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C)cc(C)n1 ZINC000929259774 646035809 /nfs/dbraw/zinc/03/58/09/646035809.db2.gz MZYJKNGOYKWSPX-UHFFFAOYSA-N 1 2 249.358 1.609 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@]12C[C@H]1CCC2 ZINC000924439379 646036939 /nfs/dbraw/zinc/03/69/39/646036939.db2.gz YXGGLVUKMWJFJL-ZWNOBZJWSA-N 1 2 234.299 1.696 20 0 BDADLO C[C@@H](c1ncccn1)[NH+]1CCSCC1 ZINC000929275875 646056095 /nfs/dbraw/zinc/05/60/95/646056095.db2.gz FLLLMYQXLFASOE-VIFPVBQESA-N 1 2 209.318 1.586 20 0 BDADLO CC(C)[N@H+](CCO)Cc1c(F)cncc1F ZINC000929325417 646079020 /nfs/dbraw/zinc/07/90/20/646079020.db2.gz WJAMEEDLOGXKFP-UHFFFAOYSA-N 1 2 230.258 1.563 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1c(F)cncc1F ZINC000929325417 646079025 /nfs/dbraw/zinc/07/90/25/646079025.db2.gz WJAMEEDLOGXKFP-UHFFFAOYSA-N 1 2 230.258 1.563 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C(C)C)nn2)[nH]n1 ZINC000925102775 646184679 /nfs/dbraw/zinc/18/46/79/646184679.db2.gz LBEUAMZZPSWOBZ-SNVBAGLBSA-N 1 2 248.334 1.741 20 0 BDADLO CC(C)n1ccc(C[NH2+][C@@H](C)c2cnnn2C)n1 ZINC000925105884 646185701 /nfs/dbraw/zinc/18/57/01/646185701.db2.gz KBFAYLIPTQNGOK-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO Cc1[nH+]cn(Cc2[nH]nc3c2COCC3)c1C ZINC000929635817 646211648 /nfs/dbraw/zinc/21/16/48/646211648.db2.gz PMKGOVDLZPTDJW-UHFFFAOYSA-N 1 2 232.287 1.344 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929684840 646242964 /nfs/dbraw/zinc/24/29/64/646242964.db2.gz LBVIEGMKRMSRQU-UWVGGRQHSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929684840 646242971 /nfs/dbraw/zinc/24/29/71/646242971.db2.gz LBVIEGMKRMSRQU-UWVGGRQHSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929684841 646244441 /nfs/dbraw/zinc/24/44/41/646244441.db2.gz LBVIEGMKRMSRQU-VHSXEESVSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929684841 646244445 /nfs/dbraw/zinc/24/44/45/646244445.db2.gz LBVIEGMKRMSRQU-VHSXEESVSA-N 1 2 241.360 1.664 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@H](C)[C@H]2C)s1 ZINC000929784813 646312991 /nfs/dbraw/zinc/31/29/91/646312991.db2.gz DQZKETSHEDLHGU-JGVFFNPUSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@H](C)[C@H]2C)s1 ZINC000929784813 646312996 /nfs/dbraw/zinc/31/29/96/646312996.db2.gz DQZKETSHEDLHGU-JGVFFNPUSA-N 1 2 227.333 1.777 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@](C)(O)C2)co1 ZINC000929786379 646315719 /nfs/dbraw/zinc/31/57/19/646315719.db2.gz DCORPZVDKINSCD-CYBMUJFWSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@](C)(O)C2)co1 ZINC000929786379 646315725 /nfs/dbraw/zinc/31/57/25/646315725.db2.gz DCORPZVDKINSCD-CYBMUJFWSA-N 1 2 238.331 1.929 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+](C)Cc2nnc[nH]2)C[C@H](C)O1 ZINC000929812241 646332581 /nfs/dbraw/zinc/33/25/81/646332581.db2.gz RVMNVKNHKUOUHL-URLYPYJESA-N 1 2 238.335 1.440 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+](C)Cc2nnc[nH]2)C[C@H](C)O1 ZINC000929812241 646332585 /nfs/dbraw/zinc/33/25/85/646332585.db2.gz RVMNVKNHKUOUHL-URLYPYJESA-N 1 2 238.335 1.440 20 0 BDADLO COC(=O)C1([NH2+]CCOC2CC2)CCCC1 ZINC000930101435 646435430 /nfs/dbraw/zinc/43/54/30/646435430.db2.gz DYSDOPCXWSDDSJ-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC1(C2CC2)CCC1 ZINC000925717905 646443127 /nfs/dbraw/zinc/44/31/27/646443127.db2.gz VJJUPIOAXXVDAY-UHFFFAOYSA-N 1 2 245.326 1.942 20 0 BDADLO CCOCC[N@H+](C)Cc1nn(C)cc1C ZINC000930177504 646478897 /nfs/dbraw/zinc/47/88/97/646478897.db2.gz NBNVUNLDTAHHPF-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CCOCC[N@@H+](C)Cc1nn(C)cc1C ZINC000930177504 646478901 /nfs/dbraw/zinc/47/89/01/646478901.db2.gz NBNVUNLDTAHHPF-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO FC1=CCC[N@H+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000930176789 646479844 /nfs/dbraw/zinc/47/98/44/646479844.db2.gz ZKUQJPQGMHQFBS-NSHDSACASA-N 1 2 227.279 1.494 20 0 BDADLO FC1=CCC[N@@H+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000930176789 646479847 /nfs/dbraw/zinc/47/98/47/646479847.db2.gz ZKUQJPQGMHQFBS-NSHDSACASA-N 1 2 227.279 1.494 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(Cl)s2)n1 ZINC000309122163 711591853 /nfs/dbraw/zinc/59/18/53/711591853.db2.gz OJILRHHKEMCGMP-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO [NH3+][C@@H](CC(=O)N1CCCCCC1)C(F)F ZINC000724708287 711609482 /nfs/dbraw/zinc/60/94/82/711609482.db2.gz MILJGOQAAXRVBT-QMMMGPOBSA-N 1 2 220.263 1.372 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@@H]1C ZINC000724759544 711610528 /nfs/dbraw/zinc/61/05/28/711610528.db2.gz QXPDHQKGRIEDEP-IMSYWVGJSA-N 1 2 248.317 1.910 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001032845027 711961178 /nfs/dbraw/zinc/96/11/78/711961178.db2.gz RWPWLMHJHHMSFK-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOCC12CCC2 ZINC000707300095 712169161 /nfs/dbraw/zinc/16/91/61/712169161.db2.gz XVWVGOPNRMNEPW-HYXAFXHYSA-N 1 2 239.315 1.361 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOCC12CCC2 ZINC000707300095 712169164 /nfs/dbraw/zinc/16/91/64/712169164.db2.gz XVWVGOPNRMNEPW-HYXAFXHYSA-N 1 2 239.315 1.361 20 0 BDADLO c1cc(C[NH2+]CCc2ccns2)[nH]n1 ZINC000709995753 712238439 /nfs/dbraw/zinc/23/84/39/712238439.db2.gz GSXXECPIEKGJJJ-UHFFFAOYSA-N 1 2 208.290 1.199 20 0 BDADLO Cc1csc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000379025095 712369052 /nfs/dbraw/zinc/36/90/52/712369052.db2.gz CABBMWJHFVWEKH-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1csc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000379025095 712369054 /nfs/dbraw/zinc/36/90/54/712369054.db2.gz CABBMWJHFVWEKH-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO CC[NH2+]Cc1noc(CO[C@H](C)CC)n1 ZINC000379461180 712384916 /nfs/dbraw/zinc/38/49/16/712384916.db2.gz SRKGCCNUWPDNIE-MRVPVSSYSA-N 1 2 213.281 1.494 20 0 BDADLO CO[C@]1(C[NH2+]Cc2cn[nH]c2C)CCSC1 ZINC000719266274 712801796 /nfs/dbraw/zinc/80/17/96/712801796.db2.gz AFNFNFPYAKYREP-NSHDSACASA-N 1 2 241.360 1.330 20 0 BDADLO O=C(NC[C@H]1CC[N@H+]1C/C=C\Cl)C1CCC1 ZINC001037997991 712897865 /nfs/dbraw/zinc/89/78/65/712897865.db2.gz TYXPHWRYVWLRST-WPPTZLTKSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(NC[C@H]1CC[N@@H+]1C/C=C\Cl)C1CCC1 ZINC001037997991 712897866 /nfs/dbraw/zinc/89/78/66/712897866.db2.gz TYXPHWRYVWLRST-WPPTZLTKSA-N 1 2 242.750 1.730 20 0 BDADLO CN1C(=O)C2(CCCC2)[NH2+]C12CCSCC2 ZINC000381293982 710617343 /nfs/dbraw/zinc/61/73/43/710617343.db2.gz FPEZQIJAXVUIME-UHFFFAOYSA-N 1 2 240.372 1.584 20 0 BDADLO Cn1c(Cl)cnc1CNc1cc[nH+]cc1F ZINC000381602188 710661442 /nfs/dbraw/zinc/66/14/42/710661442.db2.gz OIAJDULFTRWRMY-UHFFFAOYSA-N 1 2 240.669 1.642 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000380372171 712900173 /nfs/dbraw/zinc/90/01/73/712900173.db2.gz BNKLDNXXNUUUHU-XFDQCWFDSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000380372171 712900174 /nfs/dbraw/zinc/90/01/74/712900174.db2.gz BNKLDNXXNUUUHU-XFDQCWFDSA-N 1 2 227.304 1.215 20 0 BDADLO Cc1cccc(N(C)C(=O)C[C@H]([NH3+])C(F)F)c1 ZINC000724763549 710745826 /nfs/dbraw/zinc/74/58/26/710745826.db2.gz XZIYLGYIPAOARK-JTQLQIEISA-N 1 2 242.269 1.940 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001046090867 710846668 /nfs/dbraw/zinc/84/66/68/710846668.db2.gz FTOWSMLXOHBEGF-GWCFXTLKSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001046090867 710846673 /nfs/dbraw/zinc/84/66/73/710846673.db2.gz FTOWSMLXOHBEGF-GWCFXTLKSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001046668809 710863693 /nfs/dbraw/zinc/86/36/93/710863693.db2.gz DEVNGGPUUUBXNP-XYPYZODXSA-N 1 2 234.303 1.112 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000147370651 711007627 /nfs/dbraw/zinc/00/76/27/711007627.db2.gz FFZJXYUKABCMGO-MNOVXSKESA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)C1CC1 ZINC000147370445 711007642 /nfs/dbraw/zinc/00/76/42/711007642.db2.gz FFZJXYUKABCMGO-QWRGUYRKSA-N 1 2 235.331 1.824 20 0 BDADLO NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000386369978 711028048 /nfs/dbraw/zinc/02/80/48/711028048.db2.gz YIPBTWXGUZWTHO-UHFFFAOYSA-N 1 2 230.271 1.094 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000380743516 712902852 /nfs/dbraw/zinc/90/28/52/712902852.db2.gz UZICJCKYMCRLKF-RKDXNWHRSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@H]2C)[nH+]cn1 ZINC000380743516 712902853 /nfs/dbraw/zinc/90/28/53/712902853.db2.gz UZICJCKYMCRLKF-RKDXNWHRSA-N 1 2 206.293 1.753 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000387863387 711047691 /nfs/dbraw/zinc/04/76/91/711047691.db2.gz LYTYYROTZXIXCN-VIFPVBQESA-N 1 2 241.722 1.333 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc(Cl)cn2)C[C@@H]1O ZINC000387863387 711047695 /nfs/dbraw/zinc/04/76/95/711047695.db2.gz LYTYYROTZXIXCN-VIFPVBQESA-N 1 2 241.722 1.333 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc(Cl)nn2)C[C@H]1O ZINC000388526192 711062693 /nfs/dbraw/zinc/06/26/93/711062693.db2.gz RAIRABXGSGCGIK-SECBINFHSA-N 1 2 241.722 1.333 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc(Cl)nn2)C[C@H]1O ZINC000388526192 711062694 /nfs/dbraw/zinc/06/26/94/711062694.db2.gz RAIRABXGSGCGIK-SECBINFHSA-N 1 2 241.722 1.333 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(F)F)[C@H]1OC ZINC000389929921 711098593 /nfs/dbraw/zinc/09/85/93/711098593.db2.gz ZEEGJWSAPFCIKQ-RBXMUDONSA-N 1 2 223.263 1.422 20 0 BDADLO c1nc(C[NH2+][C@@H]2CCCc3n[nH]cc32)co1 ZINC000381169090 710606870 /nfs/dbraw/zinc/60/68/70/710606870.db2.gz SYCLJSBBZLTJOX-SNVBAGLBSA-N 1 2 218.260 1.565 20 0 BDADLO CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC001067921266 710614903 /nfs/dbraw/zinc/61/49/03/710614903.db2.gz VUSMICUYVONYTR-JOYOIKCWSA-N 1 2 248.330 1.136 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cnn(C)n2)s1 ZINC000381282247 710615575 /nfs/dbraw/zinc/61/55/75/710615575.db2.gz YNYGJXQFECEIHD-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cnn(C)n2)s1 ZINC000381282248 710616187 /nfs/dbraw/zinc/61/61/87/710616187.db2.gz YNYGJXQFECEIHD-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO CO[C@H](C[NH2+]Cc1nccn1C)C(F)(F)F ZINC000381300371 710618340 /nfs/dbraw/zinc/61/83/40/710618340.db2.gz IANHXYWAFOBMMK-SSDOTTSWSA-N 1 2 237.225 1.087 20 0 BDADLO Nc1ccc(CCC(=O)OCC2CC2)c[nH+]1 ZINC000381445152 710637474 /nfs/dbraw/zinc/63/74/74/710637474.db2.gz AWJHSMUTPQYPEH-UHFFFAOYSA-N 1 2 220.272 1.380 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724415192 710740620 /nfs/dbraw/zinc/74/06/20/710740620.db2.gz ZSIMDSSZXVTGSM-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724415192 710740623 /nfs/dbraw/zinc/74/06/23/710740623.db2.gz ZSIMDSSZXVTGSM-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO CC(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001067823411 710984886 /nfs/dbraw/zinc/98/48/86/710984886.db2.gz ZOHRBMROKXERSQ-UHFFFAOYSA-N 1 2 234.303 1.112 20 0 BDADLO CCCNc1cc(N(C)CCCCO)nc[nH+]1 ZINC000384996532 711003197 /nfs/dbraw/zinc/00/31/97/711003197.db2.gz GVWLDWYKCGMQTP-UHFFFAOYSA-N 1 2 238.335 1.507 20 0 BDADLO CCCNc1cc(N(C)CCCCO)[nH+]cn1 ZINC000384996532 711003200 /nfs/dbraw/zinc/00/32/00/711003200.db2.gz GVWLDWYKCGMQTP-UHFFFAOYSA-N 1 2 238.335 1.507 20 0 BDADLO CCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001068990754 711030738 /nfs/dbraw/zinc/03/07/38/711030738.db2.gz WMCHBGRVTSUSEB-ONGXEEELSA-N 1 2 248.330 1.596 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cccc(C#N)c1 ZINC000389819334 711090886 /nfs/dbraw/zinc/09/08/86/711090886.db2.gz XZNQCDSPYWEESC-SNVBAGLBSA-N 1 2 241.298 1.538 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCc3c2cccc3F)n1 ZINC000389816657 711091163 /nfs/dbraw/zinc/09/11/63/711091163.db2.gz QYAPTALTEOXDKO-ZDUSSCGKSA-N 1 2 246.289 1.731 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392393699 711146937 /nfs/dbraw/zinc/14/69/37/711146937.db2.gz XDUPAKYLUXHKJG-MRVPVSSYSA-N 1 2 248.334 1.260 20 0 BDADLO COc1cc(C[NH2+]Cc2cn(C)cn2)sn1 ZINC000399230324 711423867 /nfs/dbraw/zinc/42/38/67/711423867.db2.gz ZCOIBTNNEWKYQZ-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO CNc1cc(N(C)CC2CCOCC2)nc[nH+]1 ZINC000133632227 711447678 /nfs/dbraw/zinc/44/76/78/711447678.db2.gz IBNWTKULXBBTMQ-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N(C)CC2CCOCC2)[nH+]cn1 ZINC000133632227 711447681 /nfs/dbraw/zinc/44/76/81/711447681.db2.gz IBNWTKULXBBTMQ-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC)OC ZINC000385978376 711478467 /nfs/dbraw/zinc/47/84/67/711478467.db2.gz CLEARIATZNTEHI-QJPTWQEYSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000723626374 711526845 /nfs/dbraw/zinc/52/68/45/711526845.db2.gz FNYZLDNWGREZRY-UHFFFAOYSA-N 1 2 238.287 1.240 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCC3(C2)OCCO3)o1 ZINC000723626374 711526847 /nfs/dbraw/zinc/52/68/47/711526847.db2.gz FNYZLDNWGREZRY-UHFFFAOYSA-N 1 2 238.287 1.240 20 0 BDADLO CCc1cc(NCc2cnn(C)c2)nc(CC)[nH+]1 ZINC000891966997 711562935 /nfs/dbraw/zinc/56/29/35/711562935.db2.gz CBHMKQCGQVEWES-UHFFFAOYSA-N 1 2 245.330 1.947 20 0 BDADLO Cn1c[nH+]cc1CNc1cc(C(F)F)ncn1 ZINC000724653366 711605773 /nfs/dbraw/zinc/60/57/73/711605773.db2.gz FATMQOWTMGKTIA-UHFFFAOYSA-N 1 2 239.229 1.760 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cccnc2)n1 ZINC000721371915 711647370 /nfs/dbraw/zinc/64/73/70/711647370.db2.gz UIYXOPMBPTWOOR-UHFFFAOYSA-N 1 2 218.260 1.165 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c(C)c[nH+]1 ZINC000907088461 711815139 /nfs/dbraw/zinc/81/51/39/711815139.db2.gz QQENHAZKKLXRRR-OASPWFOLSA-N 1 2 244.294 1.284 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001030098946 711826350 /nfs/dbraw/zinc/82/63/50/711826350.db2.gz NKCSQESSOJEEGR-SNVBAGLBSA-N 1 2 208.305 1.163 20 0 BDADLO CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001043031165 711930848 /nfs/dbraw/zinc/93/08/48/711930848.db2.gz IWRCWOKERLVNRO-LDYMZIIASA-N 1 2 234.303 1.064 20 0 BDADLO CC(=O)N1CCC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001061148556 711952057 /nfs/dbraw/zinc/95/20/57/711952057.db2.gz BEUWMRPERHKLEZ-GFCCVEGCSA-N 1 2 248.330 1.232 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000085987153 711956576 /nfs/dbraw/zinc/95/65/76/711956576.db2.gz FYJIZLLKAXQKJR-GHMZBOCLSA-N 1 2 246.266 1.860 20 0 BDADLO CNc1cc(N2C[C@@H](C)OC(C)(C)C2)nc[nH+]1 ZINC000132314459 711956654 /nfs/dbraw/zinc/95/66/54/711956654.db2.gz QQYUTVQEVIRCOD-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2C[C@@H](C)OC(C)(C)C2)[nH+]cn1 ZINC000132314459 711956656 /nfs/dbraw/zinc/95/66/56/711956656.db2.gz QQYUTVQEVIRCOD-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001032845027 711961175 /nfs/dbraw/zinc/96/11/75/711961175.db2.gz RWPWLMHJHHMSFK-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001032844548 711961800 /nfs/dbraw/zinc/96/18/00/711961800.db2.gz CCOVFJQZHWAASF-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001032844548 711961801 /nfs/dbraw/zinc/96/18/01/711961801.db2.gz CCOVFJQZHWAASF-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC[C@H](SC)C(=O)OCc1ccc[nH+]c1N ZINC000922548581 711973250 /nfs/dbraw/zinc/97/32/50/711973250.db2.gz RCCXQEXGRGAGIG-VIFPVBQESA-N 1 2 240.328 1.849 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CC[C@H](F)C1 ZINC000701684248 712027947 /nfs/dbraw/zinc/02/79/47/712027947.db2.gz XVAZLLCFUCRGHM-TYRPZCRBSA-N 1 2 201.241 1.150 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CC[C@H](F)C1 ZINC000701684248 712027948 /nfs/dbraw/zinc/02/79/48/712027948.db2.gz XVAZLLCFUCRGHM-TYRPZCRBSA-N 1 2 201.241 1.150 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC3(C2)OCCO3)o1 ZINC000701847562 712031408 /nfs/dbraw/zinc/03/14/08/712031408.db2.gz GAPHSIZBXXKDIX-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC3(C2)OCCO3)o1 ZINC000701847562 712031409 /nfs/dbraw/zinc/03/14/09/712031409.db2.gz GAPHSIZBXXKDIX-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO Clc1sccc1C[NH2+][C@@H]1CNOC1 ZINC000703371725 712073750 /nfs/dbraw/zinc/07/37/50/712073750.db2.gz DHVTUVCLKXRCRP-SSDOTTSWSA-N 1 2 218.709 1.395 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1ccc(N)nn1 ZINC000703917201 712094216 /nfs/dbraw/zinc/09/42/16/712094216.db2.gz IYFKWULJNAUWML-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1ccc(N)nn1 ZINC000703917201 712094217 /nfs/dbraw/zinc/09/42/17/712094217.db2.gz IYFKWULJNAUWML-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1ccc(N)nn1 ZINC000703909454 712094344 /nfs/dbraw/zinc/09/43/44/712094344.db2.gz NDWCBOJDDKQFPR-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1ccc(N)nn1 ZINC000703909454 712094345 /nfs/dbraw/zinc/09/43/45/712094345.db2.gz NDWCBOJDDKQFPR-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO CNc1cc(NCc2cccnc2C)nc[nH+]1 ZINC000705531323 712132636 /nfs/dbraw/zinc/13/26/36/712132636.db2.gz VPOJSTDOBBAKJP-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CNc1cc(NCc2cccnc2C)[nH+]cn1 ZINC000705531323 712132638 /nfs/dbraw/zinc/13/26/38/712132638.db2.gz VPOJSTDOBBAKJP-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CO[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000706512804 712148246 /nfs/dbraw/zinc/14/82/46/712148246.db2.gz YTPJWZHZKGUSOJ-GUBZILKMSA-N 1 2 229.320 1.484 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)cn2)[C@H]1C ZINC000706748587 712153856 /nfs/dbraw/zinc/15/38/56/712153856.db2.gz KOFBJXFBDHGJIZ-YUMQZZPRSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)[C@H]1C ZINC000706748587 712153859 /nfs/dbraw/zinc/15/38/59/712153859.db2.gz KOFBJXFBDHGJIZ-YUMQZZPRSA-N 1 2 211.696 1.970 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)OC ZINC000708334007 712188287 /nfs/dbraw/zinc/18/82/87/712188287.db2.gz QNCPPFXGOPKIOC-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO CCC[N@H+](Cc1cnsn1)CC(C)(C)O ZINC000708346736 712190408 /nfs/dbraw/zinc/19/04/08/712190408.db2.gz QURBYOSEIHYBMO-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO CCC[N@@H+](Cc1cnsn1)CC(C)(C)O ZINC000708346736 712190410 /nfs/dbraw/zinc/19/04/10/712190410.db2.gz QURBYOSEIHYBMO-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CC23CCOCC3)n1 ZINC000709679012 712215620 /nfs/dbraw/zinc/21/56/20/712215620.db2.gz NLKRYXWMWWXVND-VIFPVBQESA-N 1 2 237.303 1.463 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)OC ZINC000710846923 712258626 /nfs/dbraw/zinc/25/86/26/712258626.db2.gz YAYUTZRQJLJOFL-MMWGEVLESA-N 1 2 229.320 1.199 20 0 BDADLO CC1(C)CC[C@@H](C[NH2+]Cc2ccn[nH]2)OC1 ZINC000711270026 712291832 /nfs/dbraw/zinc/29/18/32/712291832.db2.gz AGHNCJANBLRAJD-NSHDSACASA-N 1 2 223.320 1.705 20 0 BDADLO CC(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063153285 712342935 /nfs/dbraw/zinc/34/29/35/712342935.db2.gz XHGJKTQOPYXJHT-LBPRGKRZSA-N 1 2 248.330 1.280 20 0 BDADLO CNc1cc(N2CCC[C@@H](CO)CC2)nc[nH+]1 ZINC000378748002 712359256 /nfs/dbraw/zinc/35/92/56/712359256.db2.gz MVJNKWFPGWXKJB-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CCC[C@@H](CO)CC2)[nH+]cn1 ZINC000378748002 712359258 /nfs/dbraw/zinc/35/92/58/712359258.db2.gz MVJNKWFPGWXKJB-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CCCOc1nccnc1NCc1c[nH+]cn1C ZINC000528022593 712384224 /nfs/dbraw/zinc/38/42/24/712384224.db2.gz KNANMHNHKVTVRX-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO CNC(=S)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759133196 712408856 /nfs/dbraw/zinc/40/88/56/712408856.db2.gz CKAMHCGGNQEQJI-VHSXEESVSA-N 1 2 238.360 1.270 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCC2(CCC2)O1 ZINC000712443200 712429762 /nfs/dbraw/zinc/42/97/62/712429762.db2.gz MQOIDFRFDLTKEH-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CCC2(CCC2)O1 ZINC000712443200 712429763 /nfs/dbraw/zinc/42/97/63/712429763.db2.gz MQOIDFRFDLTKEH-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO C[C@@H](NC[C@@H]1CC[N@@H+]1C)c1cscn1 ZINC000712602862 712436620 /nfs/dbraw/zinc/43/66/20/712436620.db2.gz XQQRNJBQLRAKKZ-BDAKNGLRSA-N 1 2 211.334 1.498 20 0 BDADLO C[C@@H](NC[C@@H]1CC[N@H+]1C)c1cscn1 ZINC000712602862 712436621 /nfs/dbraw/zinc/43/66/21/712436621.db2.gz XQQRNJBQLRAKKZ-BDAKNGLRSA-N 1 2 211.334 1.498 20 0 BDADLO O=S1(=O)CCC[C@H]1CCNc1cccc[nH+]1 ZINC000714347257 712483254 /nfs/dbraw/zinc/48/32/54/712483254.db2.gz JNTQJZVFMNGKEP-JTQLQIEISA-N 1 2 240.328 1.461 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCCC(C)(C)O1 ZINC000714382440 712485334 /nfs/dbraw/zinc/48/53/34/712485334.db2.gz KGWPLCZVJCKZRH-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCCC(C)(C)O1 ZINC000714382440 712485335 /nfs/dbraw/zinc/48/53/35/712485335.db2.gz KGWPLCZVJCKZRH-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccoc2)nn1 ZINC000714470786 712491276 /nfs/dbraw/zinc/49/12/76/712491276.db2.gz UXEGFFCOJRIFLO-UHFFFAOYSA-N 1 2 220.276 1.571 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000714700632 712496011 /nfs/dbraw/zinc/49/60/11/712496011.db2.gz JSMCXOUYLKKJIU-MGCOHNPYSA-N 1 2 207.277 1.622 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+]Cc2cnn(C)c2)nn1 ZINC000715839386 712535558 /nfs/dbraw/zinc/53/55/58/712535558.db2.gz YUXAAFQPFBVCLQ-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1cccnc1 ZINC000715854515 712536699 /nfs/dbraw/zinc/53/66/99/712536699.db2.gz MLVVZIWYEGDYBM-ZJUUUORDSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1F)c1cn(C)nn1 ZINC000715858160 712537086 /nfs/dbraw/zinc/53/70/86/712537086.db2.gz KMUHQPYRMVIRFE-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CCCn1cc([C@H](C)[NH2+]Cc2ccnn2C)nn1 ZINC000715886605 712539783 /nfs/dbraw/zinc/53/97/83/712539783.db2.gz WVRIOBZLFRVEDV-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+]Cc2cncn2C)nn1 ZINC000715885294 712539918 /nfs/dbraw/zinc/53/99/18/712539918.db2.gz RFEJTEZARRWOKK-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO CCCn1cc([C@@H](C)NCc2c[nH+]cn2C)nn1 ZINC000715885294 712539919 /nfs/dbraw/zinc/53/99/19/712539919.db2.gz RFEJTEZARRWOKK-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000716485404 712565444 /nfs/dbraw/zinc/56/54/44/712565444.db2.gz NJDFFCRNZQLDKJ-KLHWPWHYSA-N 1 2 245.326 1.572 20 0 BDADLO C[C@H](CC(=O)O[C@@H]1CCSC1)n1cc[nH+]c1 ZINC000845461060 712606909 /nfs/dbraw/zinc/60/69/09/712606909.db2.gz YXUKPRIYEDWHAY-NXEZZACHSA-N 1 2 240.328 1.883 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000930220104 712609008 /nfs/dbraw/zinc/60/90/08/712609008.db2.gz AKBHPDDNMVYILV-NJZULAAPSA-N 1 2 245.326 1.291 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCOC1CC1)C1CC1 ZINC000930154685 712609380 /nfs/dbraw/zinc/60/93/80/712609380.db2.gz DDQIRJPVWCKSIP-LBPRGKRZSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCOC1CC1)C1CC1 ZINC000930154684 712609528 /nfs/dbraw/zinc/60/95/28/712609528.db2.gz DDQIRJPVWCKSIP-GFCCVEGCSA-N 1 2 227.304 1.097 20 0 BDADLO COCc1ccnc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000855035839 712614802 /nfs/dbraw/zinc/61/48/02/712614802.db2.gz UMHZEIMJVNCWKI-UHFFFAOYSA-N 1 2 246.270 1.132 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000717231602 712640807 /nfs/dbraw/zinc/64/08/07/712640807.db2.gz YPQYMWKTGJOKGK-APHKKCJPSA-N 1 2 233.315 1.626 20 0 BDADLO Cc1conc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000720346366 712832525 /nfs/dbraw/zinc/83/25/25/712832525.db2.gz ZPUVRZXARWDSKN-CQSZACIVSA-N 1 2 246.310 1.980 20 0 BDADLO Cc1cccc([C@H](O)C[NH2+]Cc2ccn[nH]2)c1 ZINC000305158332 712840347 /nfs/dbraw/zinc/84/03/47/712840347.db2.gz QRBLUIUAWSQDAZ-CYBMUJFWSA-N 1 2 231.299 1.541 20 0 BDADLO Cc1cncc(C[NH2+][C@@H](C)c2cn(C)nn2)c1 ZINC000720596608 712856349 /nfs/dbraw/zinc/85/63/49/712856349.db2.gz SAIIGPOGHUHBNX-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CC1(C(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000720730153 712862860 /nfs/dbraw/zinc/86/28/60/712862860.db2.gz YCAAOTZGBKVZAY-UHFFFAOYSA-N 1 2 219.288 1.470 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C(=O)OC ZINC000720844379 712869717 /nfs/dbraw/zinc/86/97/17/712869717.db2.gz ZCXBTMCMGWJIHY-FIQHERPVSA-N 1 2 241.331 1.485 20 0 BDADLO CCNC(=O)C[N@H+](C)C[C@@H](C)C(F)(F)F ZINC001208884953 957206872 /nfs/dbraw/zinc/20/68/72/957206872.db2.gz FUKAGOLRMIXVLZ-SSDOTTSWSA-N 1 2 226.242 1.253 20 0 BDADLO CCNC(=O)C[N@@H+](C)C[C@@H](C)C(F)(F)F ZINC001208884953 957206889 /nfs/dbraw/zinc/20/68/89/957206889.db2.gz FUKAGOLRMIXVLZ-SSDOTTSWSA-N 1 2 226.242 1.253 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc(Cl)nc2)C[C@@H]1O ZINC001139988365 957310153 /nfs/dbraw/zinc/31/01/53/957310153.db2.gz VGNQWPNIZHVOCJ-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc(Cl)nc2)C[C@@H]1O ZINC001139988365 957310160 /nfs/dbraw/zinc/31/01/60/957310160.db2.gz VGNQWPNIZHVOCJ-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO COc1cncc(C[NH+]2CC3(CSC3)C2)c1 ZINC001206998411 957731730 /nfs/dbraw/zinc/73/17/30/957731730.db2.gz PJNQNXFXLGUORJ-UHFFFAOYSA-N 1 2 236.340 1.639 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccncn2)C[C@@H](C)O1 ZINC001140344478 958254894 /nfs/dbraw/zinc/25/48/94/958254894.db2.gz AMAUWJHSDBRKDM-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO CCC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104446471 959237983 /nfs/dbraw/zinc/23/79/83/959237983.db2.gz LHGDLDRABWPYIX-VIFPVBQESA-N 1 2 236.319 1.454 20 0 BDADLO CCC(C)(C)[C@@H](C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724772692 959431283 /nfs/dbraw/zinc/43/12/83/959431283.db2.gz YJLZHGVEDJMZNK-SFYZADRCSA-N 1 2 236.306 1.910 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000695140611 960114415 /nfs/dbraw/zinc/11/44/15/960114415.db2.gz ASFAQHBXPFORJY-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000695140611 960114422 /nfs/dbraw/zinc/11/44/22/960114422.db2.gz ASFAQHBXPFORJY-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140994728 960788840 /nfs/dbraw/zinc/78/88/40/960788840.db2.gz YXDVIIBLNYJNAZ-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140994728 960788861 /nfs/dbraw/zinc/78/88/61/960788861.db2.gz YXDVIIBLNYJNAZ-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn[nH]c2)CCC1=O ZINC001203086440 960815837 /nfs/dbraw/zinc/81/58/37/960815837.db2.gz RYBCGQJKWAYCOO-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)CCC1=O ZINC001203086440 960815842 /nfs/dbraw/zinc/81/58/42/960815842.db2.gz RYBCGQJKWAYCOO-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO CCCCc1[nH]c(CN2CC(OCC)C2)c[nH+]1 ZINC001141067743 960862156 /nfs/dbraw/zinc/86/21/56/960862156.db2.gz MKZHVPPKXAMXIQ-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]cc(CN2CC(OCC)C2)[nH+]1 ZINC001141067743 960862160 /nfs/dbraw/zinc/86/21/60/960862160.db2.gz MKZHVPPKXAMXIQ-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@]3(CCO3)C2)co1 ZINC001141129280 960875798 /nfs/dbraw/zinc/87/57/98/960875798.db2.gz DKSBRPDNPFDSMN-NSHDSACASA-N 1 2 208.261 1.430 20 0 BDADLO c1nc(C[N@H+]2CCC[C@]3(CCO3)C2)co1 ZINC001141129280 960875803 /nfs/dbraw/zinc/87/58/03/960875803.db2.gz DKSBRPDNPFDSMN-NSHDSACASA-N 1 2 208.261 1.430 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC001142817048 961775228 /nfs/dbraw/zinc/77/52/28/961775228.db2.gz ANIAYBCEMZGPAV-MRVPVSSYSA-N 1 2 244.245 1.311 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC001142817048 961775242 /nfs/dbraw/zinc/77/52/42/961775242.db2.gz ANIAYBCEMZGPAV-MRVPVSSYSA-N 1 2 244.245 1.311 20 0 BDADLO CC(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001268718994 962313084 /nfs/dbraw/zinc/31/30/84/962313084.db2.gz GCXPZORPEWAZIF-QMMMGPOBSA-N 1 2 239.319 1.248 20 0 BDADLO CC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001268718994 962313101 /nfs/dbraw/zinc/31/31/01/962313101.db2.gz GCXPZORPEWAZIF-QMMMGPOBSA-N 1 2 239.319 1.248 20 0 BDADLO CC1CCC(OCC[NH+]2CCOCC2)CC1 ZINC000168229447 962838401 /nfs/dbraw/zinc/83/84/01/962838401.db2.gz MZCGTDPCYRMRHI-UHFFFAOYSA-N 1 2 227.348 1.914 20 0 BDADLO CCC(=O)NC/C=C/C[NH2+]Cc1ncc(C)o1 ZINC001482972118 964263392 /nfs/dbraw/zinc/26/33/92/964263392.db2.gz MAEDKTMNWIQLED-SNAWJCMRSA-N 1 2 237.303 1.155 20 0 BDADLO Cc1c(F)cc[nH+]c1NCC[C@@H](C)CO ZINC001160603576 964349647 /nfs/dbraw/zinc/34/96/47/964349647.db2.gz LSMGBOGNBZRXIP-MRVPVSSYSA-N 1 2 212.268 1.960 20 0 BDADLO FC(F)CNc1ccc2c([nH+]1)CCOC2 ZINC001161808978 964764952 /nfs/dbraw/zinc/76/49/52/964764952.db2.gz BDVMOFVOQSBMMM-UHFFFAOYSA-N 1 2 214.215 1.831 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ncc(C)cc2C)C[C@@H]1F ZINC001238424359 966753605 /nfs/dbraw/zinc/75/36/05/966753605.db2.gz AJYWGCVPXLQBNR-WCQYABFASA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ncc(C)cc2C)C[C@@H]1F ZINC001238424359 966753614 /nfs/dbraw/zinc/75/36/14/966753614.db2.gz AJYWGCVPXLQBNR-WCQYABFASA-N 1 2 238.306 1.867 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)s1 ZINC001204033838 966860178 /nfs/dbraw/zinc/86/01/78/966860178.db2.gz ZQCQQDVHWLFZCP-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)s1 ZINC001204033838 966860180 /nfs/dbraw/zinc/86/01/80/966860180.db2.gz ZQCQQDVHWLFZCP-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001204174255 966913673 /nfs/dbraw/zinc/91/36/73/966913673.db2.gz MCUOYCULIMKTAT-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001204174255 966913678 /nfs/dbraw/zinc/91/36/78/966913678.db2.gz MCUOYCULIMKTAT-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccoc2)C[C@@H]1F ZINC001204242726 966942669 /nfs/dbraw/zinc/94/26/69/966942669.db2.gz ZPJUHOIQIHNJNS-WDEREUQCSA-N 1 2 213.252 1.574 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccoc2)C[C@@H]1F ZINC001204242726 966942678 /nfs/dbraw/zinc/94/26/78/966942678.db2.gz ZPJUHOIQIHNJNS-WDEREUQCSA-N 1 2 213.252 1.574 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)[C@H](F)CC1 ZINC001204587970 967069752 /nfs/dbraw/zinc/06/97/52/967069752.db2.gz QCOIQLGLIUHBHS-SECBINFHSA-N 1 2 225.267 1.221 20 0 BDADLO COC[C@]1(c2nc(C(C)C)no2)CCCC[NH2+]1 ZINC000701283988 967809742 /nfs/dbraw/zinc/80/97/42/967809742.db2.gz IUDMMGNEVQYNMF-LBPRGKRZSA-N 1 2 239.319 1.808 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001206805080 968479195 /nfs/dbraw/zinc/47/91/95/968479195.db2.gz JVINCWXKKJWTKI-SNVBAGLBSA-N 1 2 224.329 1.862 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001206805080 968479198 /nfs/dbraw/zinc/47/91/98/968479198.db2.gz JVINCWXKKJWTKI-SNVBAGLBSA-N 1 2 224.329 1.862 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCCOCC1 ZINC000164135811 968508195 /nfs/dbraw/zinc/50/81/95/968508195.db2.gz HPJYVPKYXAZRNR-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO CCCC[C@@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC001252094318 968575637 /nfs/dbraw/zinc/57/56/37/968575637.db2.gz NCQTZGGTGMZDGU-GFCCVEGCSA-N 1 2 242.363 1.090 20 0 BDADLO CCCC[C@@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC001252094318 968575641 /nfs/dbraw/zinc/57/56/41/968575641.db2.gz NCQTZGGTGMZDGU-GFCCVEGCSA-N 1 2 242.363 1.090 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207092626 968624841 /nfs/dbraw/zinc/62/48/41/968624841.db2.gz GDBFPKSIWOPEES-LLVKDONJSA-N 1 2 228.242 1.317 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207092626 968624843 /nfs/dbraw/zinc/62/48/43/968624843.db2.gz GDBFPKSIWOPEES-LLVKDONJSA-N 1 2 228.242 1.317 20 0 BDADLO C[C@@H](O)c1cc[nH+]c(NCC(C)(C)O)c1 ZINC001252351569 968631492 /nfs/dbraw/zinc/63/14/92/968631492.db2.gz VGPPAUYJLPEJHS-MRVPVSSYSA-N 1 2 210.277 1.318 20 0 BDADLO CCC[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252779191 968952864 /nfs/dbraw/zinc/95/28/64/968952864.db2.gz QCSDJVZDPKQILY-NSHDSACASA-N 1 2 219.288 1.907 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1C[C@H](O)COC(C)(C)C ZINC001253448069 969176808 /nfs/dbraw/zinc/17/68/08/969176808.db2.gz HZEDJUIQQNKHAW-PWSUYJOCSA-N 1 2 243.347 1.216 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+]1CCn2cncc2C1 ZINC001208919670 969303912 /nfs/dbraw/zinc/30/39/12/969303912.db2.gz CLVDKKMUMKYXTB-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+]1CCn2cncc2C1 ZINC001208919670 969303917 /nfs/dbraw/zinc/30/39/17/969303917.db2.gz CLVDKKMUMKYXTB-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO CCOC(C)(C)C[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209066822 969341632 /nfs/dbraw/zinc/34/16/32/969341632.db2.gz OIRRCWTXQGJHCN-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO CCOC(C)(C)C[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209066822 969341636 /nfs/dbraw/zinc/34/16/36/969341636.db2.gz OIRRCWTXQGJHCN-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001253758463 969376747 /nfs/dbraw/zinc/37/67/47/969376747.db2.gz YTQIXTCDCHQVCI-ZJUUUORDSA-N 1 2 239.281 1.930 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001253758260 969378870 /nfs/dbraw/zinc/37/88/70/969378870.db2.gz WXKWOXQRHAUSGU-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001253758260 969378878 /nfs/dbraw/zinc/37/88/78/969378878.db2.gz WXKWOXQRHAUSGU-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO COCC[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001209212840 969402774 /nfs/dbraw/zinc/40/27/74/969402774.db2.gz WFUVJTBRDFOQFQ-UHFFFAOYSA-N 1 2 226.707 1.740 20 0 BDADLO COCC[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001209212840 969402778 /nfs/dbraw/zinc/40/27/78/969402778.db2.gz WFUVJTBRDFOQFQ-UHFFFAOYSA-N 1 2 226.707 1.740 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCOC1)C(C)(C)C ZINC001254362265 969574402 /nfs/dbraw/zinc/57/44/02/969574402.db2.gz HTGIJZYTYKODRJ-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO COc1ncc(Cl)cc1[NH+]=c1nc[nH]n1C ZINC001210450252 969890475 /nfs/dbraw/zinc/89/04/75/969890475.db2.gz VXVXSIZRTXGDAS-UHFFFAOYSA-N 1 2 239.666 1.038 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCSC1)C1CCCC1 ZINC001255276444 970030246 /nfs/dbraw/zinc/03/02/46/970030246.db2.gz JIPOBCTWTCTXJO-QWRGUYRKSA-N 1 2 243.372 1.813 20 0 BDADLO CNC(=O)C[N@H+](C)[C@@H](C)CC(F)(F)F ZINC001255645935 970418941 /nfs/dbraw/zinc/41/89/41/970418941.db2.gz JSPHIFIVJNURRG-LURJTMIESA-N 1 2 212.215 1.005 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@@H](C)CC(F)(F)F ZINC001255645935 970418944 /nfs/dbraw/zinc/41/89/44/970418944.db2.gz JSPHIFIVJNURRG-LURJTMIESA-N 1 2 212.215 1.005 20 0 BDADLO CC(=O)N1CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC001255653792 970433375 /nfs/dbraw/zinc/43/33/75/970433375.db2.gz WDDACBBXRVVEFH-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CCOC(=O)N1CC[C@@H]([NH2+]CC(F)F)C1 ZINC001256012526 970613727 /nfs/dbraw/zinc/61/37/27/970613727.db2.gz JETQQYPPKWSKOJ-SSDOTTSWSA-N 1 2 222.235 1.072 20 0 BDADLO COc1cc(OC2C[NH+](C(C)C)C2)cnc1F ZINC001228517993 976276273 /nfs/dbraw/zinc/27/62/73/976276273.db2.gz CBJJWEDSWGXSOW-UHFFFAOYSA-N 1 2 240.278 1.701 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1(C)CC1 ZINC001336202005 977564341 /nfs/dbraw/zinc/56/43/41/977564341.db2.gz PAQFOBKEGUDESB-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1(C)CC1 ZINC001336202005 977564356 /nfs/dbraw/zinc/56/43/56/977564356.db2.gz PAQFOBKEGUDESB-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO CCNC(=O)CN(CC)c1cc(F)cc(C)[nH+]1 ZINC001336443215 977691202 /nfs/dbraw/zinc/69/12/02/977691202.db2.gz CKWKPENHRXHOPX-UHFFFAOYSA-N 1 2 239.294 1.492 20 0 BDADLO Clc1ccnc(NCC[NH+]2CCOCC2)c1 ZINC001336438381 977686920 /nfs/dbraw/zinc/68/69/20/977686920.db2.gz DGIIYEPCVKYRQE-UHFFFAOYSA-N 1 2 241.722 1.479 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CCCOCC1 ZINC001231740519 977726819 /nfs/dbraw/zinc/72/68/19/977726819.db2.gz JZXRGUCMBBROMH-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CCCOCC1 ZINC001231740519 977726843 /nfs/dbraw/zinc/72/68/43/977726843.db2.gz JZXRGUCMBBROMH-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO Cc1cc(F)cc(N(C)[C@H](C)C[S@@](C)=O)[nH+]1 ZINC001336576110 977789934 /nfs/dbraw/zinc/78/99/34/977789934.db2.gz DVPVLHHSUZTYGE-JDNHERCYSA-N 1 2 244.335 1.732 20 0 BDADLO Cc1cc(C[N@H+](C)CCF)cnc1F ZINC001231928115 977801658 /nfs/dbraw/zinc/80/16/58/977801658.db2.gz FJZSNTYFDKQWKB-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Cc1cc(C[N@@H+](C)CCF)cnc1F ZINC001231928115 977801660 /nfs/dbraw/zinc/80/16/60/977801660.db2.gz FJZSNTYFDKQWKB-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Nc1cc(N2CC[C@]3(CC3(F)F)C2)[nH+]cn1 ZINC001336682711 977852850 /nfs/dbraw/zinc/85/28/50/977852850.db2.gz SQMYKPJBMQKWRR-VIFPVBQESA-N 1 2 226.230 1.294 20 0 BDADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccns1 ZINC001337289255 978264546 /nfs/dbraw/zinc/26/45/46/978264546.db2.gz MVYJTXDUHJVVKO-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccns1 ZINC001337289255 978264556 /nfs/dbraw/zinc/26/45/56/978264556.db2.gz MVYJTXDUHJVVKO-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CCN(Cc1cnc(C)cc1C)C1C[NH+](C)C1 ZINC001233012975 978413814 /nfs/dbraw/zinc/41/38/14/978413814.db2.gz QTWYVHBRJNHIET-UHFFFAOYSA-N 1 2 233.359 1.834 20 0 BDADLO CCCC[N@H+](C)Cc1nc2ccccn2n1 ZINC001233068852 978455742 /nfs/dbraw/zinc/45/57/42/978455742.db2.gz OLHWVKJMICHXDC-UHFFFAOYSA-N 1 2 218.304 1.961 20 0 BDADLO CCCC[N@@H+](C)Cc1nc2ccccn2n1 ZINC001233068852 978455747 /nfs/dbraw/zinc/45/57/47/978455747.db2.gz OLHWVKJMICHXDC-UHFFFAOYSA-N 1 2 218.304 1.961 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233447213 978607471 /nfs/dbraw/zinc/60/74/71/978607471.db2.gz XLEZMJDKEUDGEG-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233447213 978607478 /nfs/dbraw/zinc/60/74/78/978607478.db2.gz XLEZMJDKEUDGEG-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO C[C@H](C(=O)N[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC001178729574 978624400 /nfs/dbraw/zinc/62/44/00/978624400.db2.gz CNRNKDZAAQMKFI-CKYFFXLPSA-N 1 2 219.288 1.503 20 0 BDADLO C[N@H+](CCO)Cc1cncc(Cl)c1Cl ZINC001236255506 979475410 /nfs/dbraw/zinc/47/54/10/979475410.db2.gz GHYAFJLSWOSRNM-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@@H+](CCO)Cc1cncc(Cl)c1Cl ZINC001236255506 979475419 /nfs/dbraw/zinc/47/54/19/979475419.db2.gz GHYAFJLSWOSRNM-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO O=C(CC(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC001182963813 979680548 /nfs/dbraw/zinc/68/05/48/979680548.db2.gz GXFVAKORIMXEPE-UHFFFAOYSA-N 1 2 243.257 1.702 20 0 BDADLO C[C@@H]1CN(CC2OC=CC2=S)CC[N@@H+]1C ZINC001237192318 979842945 /nfs/dbraw/zinc/84/29/45/979842945.db2.gz SSZALFQPYGBQQR-SECBINFHSA-N 1 2 226.345 1.704 20 0 BDADLO C[C@@H]1CN(CC2OC=CC2=S)CC[N@H+]1C ZINC001237192318 979842949 /nfs/dbraw/zinc/84/29/49/979842949.db2.gz SSZALFQPYGBQQR-SECBINFHSA-N 1 2 226.345 1.704 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001237652494 980009310 /nfs/dbraw/zinc/00/93/10/980009310.db2.gz URKAOLXYUGIVAB-VIFPVBQESA-N 1 2 209.293 1.193 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCO[C@@H](C)C1 ZINC001237652494 980009325 /nfs/dbraw/zinc/00/93/25/980009325.db2.gz URKAOLXYUGIVAB-VIFPVBQESA-N 1 2 209.293 1.193 20 0 BDADLO CC(C)CNC(=O)C[NH2+]Cc1nccs1 ZINC000156961809 980809911 /nfs/dbraw/zinc/80/99/11/980809911.db2.gz IYPZTKBXBQEWLL-UHFFFAOYSA-N 1 2 227.333 1.005 20 0 BDADLO CC1(C)CC(=O)N1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001348471123 981362389 /nfs/dbraw/zinc/36/23/89/981362389.db2.gz PNDGIACWRUQBPY-GFCCVEGCSA-N 1 2 228.311 1.779 20 0 BDADLO CC1(C)CC(=O)N1C[N@H+]1CCC[C@@](C)(F)C1 ZINC001348471123 981362391 /nfs/dbraw/zinc/36/23/91/981362391.db2.gz PNDGIACWRUQBPY-GFCCVEGCSA-N 1 2 228.311 1.779 20 0 BDADLO COC/C=C\C(=O)OCCCc1c[nH+]cn1C ZINC001348637753 981413041 /nfs/dbraw/zinc/41/30/41/981413041.db2.gz NERSUPSWCLXJPH-XQRVVYSFSA-N 1 2 238.287 1.099 20 0 BDADLO CS[C@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791022 981747603 /nfs/dbraw/zinc/74/76/03/981747603.db2.gz DOZRDENDECDKIH-SECBINFHSA-N 1 2 224.329 1.810 20 0 BDADLO Cc1ccc(N)cc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001353622337 982932243 /nfs/dbraw/zinc/93/22/43/982932243.db2.gz IAKYOVJNRGLWNN-MRVPVSSYSA-N 1 2 243.257 1.498 20 0 BDADLO O=C(CCl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082276947 982956007 /nfs/dbraw/zinc/95/60/07/982956007.db2.gz IDNAFZXFHDTCPY-QMMMGPOBSA-N 1 2 227.695 1.355 20 0 BDADLO CCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001201700574 983410095 /nfs/dbraw/zinc/41/00/95/983410095.db2.gz RHISGYOQDYBQLO-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001201700574 983410103 /nfs/dbraw/zinc/41/01/03/983410103.db2.gz RHISGYOQDYBQLO-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC/C=C\Cl ZINC001355311196 983470897 /nfs/dbraw/zinc/47/08/97/983470897.db2.gz CMORJFJXFOXLRG-XADBCAIWSA-N 1 2 242.710 1.323 20 0 BDADLO FC1CN(C2C[NH+](CCCC(F)(F)F)C2)C1 ZINC001202368529 983639803 /nfs/dbraw/zinc/63/98/03/983639803.db2.gz OLSPYAPCJKNFMG-UHFFFAOYSA-N 1 2 240.244 1.667 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001358149384 983830592 /nfs/dbraw/zinc/83/05/92/983830592.db2.gz WVKNNJDLAKKFGG-DTWKUNHWSA-N 1 2 225.267 1.062 20 0 BDADLO Cc1csc(C[N@@H+]2CCO[C@H](CO)C2)c1 ZINC001137153011 983993823 /nfs/dbraw/zinc/99/38/23/983993823.db2.gz LRGXYAHZNGKOEG-JTQLQIEISA-N 1 2 227.329 1.250 20 0 BDADLO Cc1csc(C[N@H+]2CCO[C@H](CO)C2)c1 ZINC001137153011 983993839 /nfs/dbraw/zinc/99/38/39/983993839.db2.gz LRGXYAHZNGKOEG-JTQLQIEISA-N 1 2 227.329 1.250 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc(C)cs2)C1 ZINC001137157038 984001306 /nfs/dbraw/zinc/00/13/06/984001306.db2.gz IZLORVCRGLCJFX-UHFFFAOYSA-N 1 2 224.329 1.377 20 0 BDADLO CC(=O)OC1C[NH+]([C@H](C)CCOC(C)C)C1 ZINC001172448264 974809817 /nfs/dbraw/zinc/80/98/17/974809817.db2.gz AMUACLHUAVRRRB-SNVBAGLBSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CCOCC(C)C ZINC001172462863 974827653 /nfs/dbraw/zinc/82/76/53/974827653.db2.gz ZFCNDBCNAPSBNA-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc[nH]n1 ZINC001327547019 972624478 /nfs/dbraw/zinc/62/44/78/972624478.db2.gz RECXOYQEEGGJPY-VWYCJHECSA-N 1 2 220.320 1.958 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc[nH]n1 ZINC001327547019 972624484 /nfs/dbraw/zinc/62/44/84/972624484.db2.gz RECXOYQEEGGJPY-VWYCJHECSA-N 1 2 220.320 1.958 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H]3C[C@H]32)nn1 ZINC001327721785 972714878 /nfs/dbraw/zinc/71/48/78/972714878.db2.gz IGNWOZVPVVYNAE-GXSJLCMTSA-N 1 2 206.293 1.453 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H]3C[C@H]32)nn1 ZINC001327721785 972714886 /nfs/dbraw/zinc/71/48/86/972714886.db2.gz IGNWOZVPVVYNAE-GXSJLCMTSA-N 1 2 206.293 1.453 20 0 BDADLO CN(C)c1ncccc1C[NH+]1CC(C(F)F)C1 ZINC001328219656 972907719 /nfs/dbraw/zinc/90/77/19/972907719.db2.gz JFBRLIWESDJMFP-UHFFFAOYSA-N 1 2 241.285 1.845 20 0 BDADLO C[C@]1(F)CCC[N@@H+](C2CCS(=O)(=O)CC2)C1 ZINC001256386750 970799474 /nfs/dbraw/zinc/79/94/74/970799474.db2.gz OKVBEVSCOZZODI-NSHDSACASA-N 1 2 249.351 1.388 20 0 BDADLO C[C@]1(F)CCC[N@H+](C2CCS(=O)(=O)CC2)C1 ZINC001256386750 970799484 /nfs/dbraw/zinc/79/94/84/970799484.db2.gz OKVBEVSCOZZODI-NSHDSACASA-N 1 2 249.351 1.388 20 0 BDADLO COc1cc[nH+]cc1NCC(C)(OC)OC ZINC001170437700 970820849 /nfs/dbraw/zinc/82/08/49/970820849.db2.gz MIPVCGHWYDSSKE-UHFFFAOYSA-N 1 2 226.276 1.511 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256416453 970823365 /nfs/dbraw/zinc/82/33/65/970823365.db2.gz BUTZOXTZQILZAV-QWRGUYRKSA-N 1 2 236.315 1.506 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256416453 970823369 /nfs/dbraw/zinc/82/33/69/970823369.db2.gz BUTZOXTZQILZAV-QWRGUYRKSA-N 1 2 236.315 1.506 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)Cc2ccccn2)CC1=O ZINC001256420632 970827062 /nfs/dbraw/zinc/82/70/62/970827062.db2.gz CVNVZDRGMYMOAT-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)Cc2ccccn2)CC1=O ZINC001256420632 970827067 /nfs/dbraw/zinc/82/70/67/970827067.db2.gz CVNVZDRGMYMOAT-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CC(C)Cc1nnc([C@H](CO)n2cc[nH+]c2)o1 ZINC001256432028 970837274 /nfs/dbraw/zinc/83/72/74/970837274.db2.gz IEZBLXOMKSRVBG-VIFPVBQESA-N 1 2 236.275 1.046 20 0 BDADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)C(F)(F)F ZINC001129538138 970852466 /nfs/dbraw/zinc/85/24/66/970852466.db2.gz IVOYHJSIHNGAOD-SSDOTTSWSA-N 1 2 249.236 1.277 20 0 BDADLO CCOc1nccc(C2=C[NH2+]CCC2)n1 ZINC001243946892 971031658 /nfs/dbraw/zinc/03/16/58/971031658.db2.gz ACJBPNDVAIZSBY-UHFFFAOYSA-N 1 2 205.261 1.600 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000403931948 971094779 /nfs/dbraw/zinc/09/47/79/971094779.db2.gz JVGRDKFIIHAZFF-KZQRZKTQSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000403931948 971094789 /nfs/dbraw/zinc/09/47/89/971094789.db2.gz JVGRDKFIIHAZFF-KZQRZKTQSA-N 1 2 241.331 1.605 20 0 BDADLO COCn1cc(Nc2cccn3cc[nH+]c23)cn1 ZINC001216573142 971125640 /nfs/dbraw/zinc/12/56/40/971125640.db2.gz VTJZUGDUJCMMFJ-UHFFFAOYSA-N 1 2 243.270 1.878 20 0 BDADLO CCC(CC)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)O ZINC001257290233 971176375 /nfs/dbraw/zinc/17/63/75/971176375.db2.gz PPJDNMSYGGKDRJ-KOLCDFICSA-N 1 2 245.363 1.856 20 0 BDADLO CCC[C@H](C)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001257316943 971211457 /nfs/dbraw/zinc/21/14/57/971211457.db2.gz OSZFRXHRGGHKJE-GXSJLCMTSA-N 1 2 239.319 1.287 20 0 BDADLO CCSC[C@H](C)[N@H+](C)CC(=O)OC ZINC000308380328 971218143 /nfs/dbraw/zinc/21/81/43/971218143.db2.gz UNGYABDGUJCNRZ-QMMMGPOBSA-N 1 2 205.323 1.233 20 0 BDADLO CCSC[C@H](C)[N@@H+](C)CC(=O)OC ZINC000308380328 971218155 /nfs/dbraw/zinc/21/81/55/971218155.db2.gz UNGYABDGUJCNRZ-QMMMGPOBSA-N 1 2 205.323 1.233 20 0 BDADLO CCCCCC[C@@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001170580675 971253471 /nfs/dbraw/zinc/25/34/71/971253471.db2.gz FCLTYACMTVRQBY-VXGBXAGGSA-N 1 2 245.363 1.859 20 0 BDADLO CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)OC(C)C)C1 ZINC000308758617 971295155 /nfs/dbraw/zinc/29/51/55/971295155.db2.gz COUOWLIKUCMJJX-GHMZBOCLSA-N 1 2 229.320 1.485 20 0 BDADLO CCCCOC(=O)CC[C@@H](C)[NH+]1CC(O)C1 ZINC001257394232 971297301 /nfs/dbraw/zinc/29/73/01/971297301.db2.gz YLDCVMMJEIVRTR-SNVBAGLBSA-N 1 2 229.320 1.175 20 0 BDADLO CC[C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)O ZINC001257430905 971337878 /nfs/dbraw/zinc/33/78/78/971337878.db2.gz NHHVBFQFBKNYMK-AEJSXWLSSA-N 1 2 231.336 1.466 20 0 BDADLO [NH3+][C@@H](CO)c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001217699620 971339978 /nfs/dbraw/zinc/33/99/78/971339978.db2.gz UQVWRGWQVYMZKY-AXFHLTTASA-N 1 2 245.282 1.333 20 0 BDADLO CC[C@H](C)[NH2+][C@H](Cc1cccnc1)C(=O)OC ZINC001257436444 971350774 /nfs/dbraw/zinc/35/07/74/971350774.db2.gz PUWNUSLXJDEDEF-CMPLNLGQSA-N 1 2 236.315 1.554 20 0 BDADLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nnc([C@H]2C[C@@H]2C)o1 ZINC001217730573 971370597 /nfs/dbraw/zinc/37/05/97/971370597.db2.gz VCFVYJHVWHVAAM-FAYXRDSDSA-N 1 2 239.275 1.144 20 0 BDADLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nnc([C@H]2C[C@H]2C)o1 ZINC001217730576 971374099 /nfs/dbraw/zinc/37/40/99/971374099.db2.gz VCFVYJHVWHVAAM-YGBUUZGLSA-N 1 2 239.275 1.144 20 0 BDADLO Cc1nnc(Cc2cn3cccc(C)c3[nH+]2)o1 ZINC001257666553 971467503 /nfs/dbraw/zinc/46/75/03/971467503.db2.gz ZCQZMHNQKLMVTO-UHFFFAOYSA-N 1 2 228.255 1.925 20 0 BDADLO CC(C)(C)Cc1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001257852416 971501951 /nfs/dbraw/zinc/50/19/51/971501951.db2.gz GRCJPQGCBAPADR-UHFFFAOYSA-N 1 2 220.276 1.972 20 0 BDADLO CCCNC(=S)NCc1c[nH+]cn1C(C)C ZINC001244920184 971517445 /nfs/dbraw/zinc/51/74/45/971517445.db2.gz BYHQQLDDADOQKW-UHFFFAOYSA-N 1 2 240.376 1.838 20 0 BDADLO C[NH+](C)Cc1nnc([C@@]2(C)CCCOC2)o1 ZINC001257945267 971544719 /nfs/dbraw/zinc/54/47/19/971544719.db2.gz QARBYURQZNHMGN-NSHDSACASA-N 1 2 225.292 1.199 20 0 BDADLO Cc1cc(=O)cc(O[C@@H]2CC[NH2+]CC2(F)F)[nH]1 ZINC001218004561 971568788 /nfs/dbraw/zinc/56/87/88/971568788.db2.gz ASXMMHHRRWRHNC-SECBINFHSA-N 1 2 244.241 1.472 20 0 BDADLO Cc1ccc2nc(=O)[nH]c(O[C@@H]3C[NH2+][C@H]3C)c2c1 ZINC001218383039 971760237 /nfs/dbraw/zinc/76/02/37/971760237.db2.gz MEVRBEOIYXTFHM-GZMMTYOYSA-N 1 2 245.282 1.383 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172323960 974532309 /nfs/dbraw/zinc/53/23/09/974532309.db2.gz KLLVTLLREKPMJC-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCCOCC1 ZINC001170801140 971844385 /nfs/dbraw/zinc/84/43/85/971844385.db2.gz PJPNHKPJDQCLRI-SNVBAGLBSA-N 1 2 215.293 1.098 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCOCC2)no1 ZINC001170808100 971866819 /nfs/dbraw/zinc/86/68/19/971866819.db2.gz GPVIDDLDOFXGFT-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCOCC2)no1 ZINC001170808100 971866828 /nfs/dbraw/zinc/86/68/28/971866828.db2.gz GPVIDDLDOFXGFT-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO C[C@H]1COCC[C@H]1[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001170821813 971910485 /nfs/dbraw/zinc/91/04/85/971910485.db2.gz YNMKPVNVODUFBB-WCBMZHEXSA-N 1 2 247.298 1.413 20 0 BDADLO O=C(Nc1ccc2c(c1)N=NC2)[C@@H]1COCC[NH2+]1 ZINC001219414479 972009624 /nfs/dbraw/zinc/00/96/24/972009624.db2.gz BFYUIHOWDVDRGX-NSHDSACASA-N 1 2 246.270 1.211 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1ccncc1 ZINC000218794676 972075218 /nfs/dbraw/zinc/07/52/18/972075218.db2.gz SPYFMZZORLQLKN-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO [NH3+]CCC[C@H]([NH3+])Nc1cc([S-])cc(S)c1 ZINC001170905141 972081342 /nfs/dbraw/zinc/08/13/42/972081342.db2.gz STKDJCJHXWJMBF-SNVBAGLBSA-N 1 2 243.401 1.700 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC000191965575 972114905 /nfs/dbraw/zinc/11/49/05/972114905.db2.gz YONWENOJEWJYQV-VLEAKVRGSA-N 1 2 229.320 1.077 20 0 BDADLO CN(Cc1ccncn1)Cc1cccc(N)[nH+]1 ZINC000396617828 957069220 /nfs/dbraw/zinc/06/92/20/957069220.db2.gz HSKZHZWMKZLTJC-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO CCOC1C[NH+](CCOc2ccccc2)C1 ZINC001209295062 957385877 /nfs/dbraw/zinc/38/58/77/957385877.db2.gz CUOPFGFUECPLGA-UHFFFAOYSA-N 1 2 221.300 1.786 20 0 BDADLO C=CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001346090617 957405167 /nfs/dbraw/zinc/40/51/67/957405167.db2.gz JZTMLLHWPCESNW-UHFFFAOYSA-N 1 2 205.261 1.302 20 0 BDADLO C=CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001346090617 957405175 /nfs/dbraw/zinc/40/51/75/957405175.db2.gz JZTMLLHWPCESNW-UHFFFAOYSA-N 1 2 205.261 1.302 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@@H]1C[C@H]1C ZINC001209419242 957426377 /nfs/dbraw/zinc/42/63/77/957426377.db2.gz WJCFHQFHPWHURP-RGOKHQFPSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@@H]1C[C@H]1C ZINC001209419242 957426381 /nfs/dbraw/zinc/42/63/81/957426381.db2.gz WJCFHQFHPWHURP-RGOKHQFPSA-N 1 2 215.268 1.228 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001209554337 957499648 /nfs/dbraw/zinc/49/96/48/957499648.db2.gz GYVSXCLYYFLDSS-WDEREUQCSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001209554337 957499652 /nfs/dbraw/zinc/49/96/52/957499652.db2.gz GYVSXCLYYFLDSS-WDEREUQCSA-N 1 2 229.274 1.990 20 0 BDADLO C[N@H+](Cc1cc(C(=O)[O-])co1)C1CC[NH2+]CC1 ZINC000051330500 957502996 /nfs/dbraw/zinc/50/29/96/957502996.db2.gz DEPDXQOXUYMGLV-UHFFFAOYSA-N 1 2 238.287 1.162 20 0 BDADLO C[N@@H+](Cc1cc(C(=O)[O-])co1)C1CC[NH2+]CC1 ZINC000051330500 957503007 /nfs/dbraw/zinc/50/30/07/957503007.db2.gz DEPDXQOXUYMGLV-UHFFFAOYSA-N 1 2 238.287 1.162 20 0 BDADLO O=C1CC[C@]2(CCC[N@H+](Cc3ccon3)C2)O1 ZINC001209568781 957507158 /nfs/dbraw/zinc/50/71/58/957507158.db2.gz WYZXAZZCMMSEGT-LBPRGKRZSA-N 1 2 236.271 1.346 20 0 BDADLO O=C1CC[C@]2(CCC[N@@H+](Cc3ccon3)C2)O1 ZINC001209568781 957507163 /nfs/dbraw/zinc/50/71/63/957507163.db2.gz WYZXAZZCMMSEGT-LBPRGKRZSA-N 1 2 236.271 1.346 20 0 BDADLO F[C@@H]1CCCC[N@H+](Cc2cncnc2)C1 ZINC001137664032 972273109 /nfs/dbraw/zinc/27/31/09/972273109.db2.gz UYVQMPKEHQECBO-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO F[C@@H]1CCCC[N@@H+](Cc2cncnc2)C1 ZINC001137664032 972273118 /nfs/dbraw/zinc/27/31/18/972273118.db2.gz UYVQMPKEHQECBO-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3OCC[C@H]3C2)nc[nH+]1 ZINC001167211574 957545566 /nfs/dbraw/zinc/54/55/66/957545566.db2.gz CTSFYBNZUWOBMW-QWRGUYRKSA-N 1 2 248.330 1.158 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3OCC[C@H]3C2)[nH+]cn1 ZINC001167211574 957545572 /nfs/dbraw/zinc/54/55/72/957545572.db2.gz CTSFYBNZUWOBMW-QWRGUYRKSA-N 1 2 248.330 1.158 20 0 BDADLO CO[C@@H](C)CN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001136844601 972273768 /nfs/dbraw/zinc/27/37/68/972273768.db2.gz SJDCKDVPTBNSBK-JTQLQIEISA-N 1 2 239.319 1.224 20 0 BDADLO Clc1ccnc(C[N@@H+]2CCCOCC2)c1 ZINC000086130056 957565359 /nfs/dbraw/zinc/56/53/59/957565359.db2.gz PIRHFEAPWRWOEM-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1ccnc(C[N@H+]2CCCOCC2)c1 ZINC000086130056 957565365 /nfs/dbraw/zinc/56/53/65/957565365.db2.gz PIRHFEAPWRWOEM-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO CC[C@H](C)[C@H](C)OCC[NH+]1CCOCC1 ZINC001210208314 957670727 /nfs/dbraw/zinc/67/07/27/957670727.db2.gz ROJYAGURYBFEMZ-RYUDHWBXSA-N 1 2 215.337 1.770 20 0 BDADLO O[C@H]1C[N@H+](Cc2cn3ccccc3n2)CC[C@H]1F ZINC001136875896 972284394 /nfs/dbraw/zinc/28/43/94/972284394.db2.gz KBSWLCPBNPHRMG-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cn3ccccc3n2)CC[C@H]1F ZINC001136875896 972284401 /nfs/dbraw/zinc/28/44/01/972284401.db2.gz KBSWLCPBNPHRMG-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCCC1=O ZINC001207064827 957901840 /nfs/dbraw/zinc/90/18/40/957901840.db2.gz DUVHCHXDTTVRBT-SNVBAGLBSA-N 1 2 234.299 1.588 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCCC1=O ZINC001207064827 957901844 /nfs/dbraw/zinc/90/18/44/957901844.db2.gz DUVHCHXDTTVRBT-SNVBAGLBSA-N 1 2 234.299 1.588 20 0 BDADLO COCC1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC001167364141 957905004 /nfs/dbraw/zinc/90/50/04/957905004.db2.gz UZUCRUYITDCMOB-VIFPVBQESA-N 1 2 241.360 1.958 20 0 BDADLO O[C@H]1C[N@H+](Cc2cncc(Cl)c2)CC[C@@H]1F ZINC001136989780 972312784 /nfs/dbraw/zinc/31/27/84/972312784.db2.gz SBXOGVCFBBSAGN-QWRGUYRKSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@@H]1F ZINC001136989780 972312785 /nfs/dbraw/zinc/31/27/85/972312785.db2.gz SBXOGVCFBBSAGN-QWRGUYRKSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2nccnc2C)o1 ZINC000398000043 957956792 /nfs/dbraw/zinc/95/67/92/957956792.db2.gz UTQXSMYGGFUDKF-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CC(C)[C@](C)(Nc1ccn2cc[nH+]c2c1)C(N)=O ZINC001167411732 958038782 /nfs/dbraw/zinc/03/87/82/958038782.db2.gz SPFICOAWOUCIBQ-ZDUSSCGKSA-N 1 2 246.314 1.646 20 0 BDADLO CC(=O)N1CC(Nc2cc3cc(C)[nH]c3c[nH+]2)C1 ZINC001171077458 972320965 /nfs/dbraw/zinc/32/09/65/972320965.db2.gz UROAOWPDSGFRAV-UHFFFAOYSA-N 1 2 244.298 1.514 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@]1(C)CCOC1 ZINC001347973740 958225626 /nfs/dbraw/zinc/22/56/26/958225626.db2.gz WKDXRUGPMDDPQA-GFCCVEGCSA-N 1 2 238.287 1.373 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041358 972338668 /nfs/dbraw/zinc/33/86/68/972338668.db2.gz ZSHDBRYOSZFYEQ-GWCFXTLKSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041358 972338674 /nfs/dbraw/zinc/33/86/74/972338674.db2.gz ZSHDBRYOSZFYEQ-GWCFXTLKSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041358 972338677 /nfs/dbraw/zinc/33/86/77/972338677.db2.gz ZSHDBRYOSZFYEQ-GWCFXTLKSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041358 972338680 /nfs/dbraw/zinc/33/86/80/972338680.db2.gz ZSHDBRYOSZFYEQ-GWCFXTLKSA-N 1 2 249.289 1.732 20 0 BDADLO CCC[C@H](CC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246464664 972339644 /nfs/dbraw/zinc/33/96/44/972339644.db2.gz SHUFYULGTJLHCW-DTWKUNHWSA-N 1 2 206.280 1.762 20 0 BDADLO CCC[C@H](CC)[NH2+][C@@H]1CNCC1(F)F ZINC001246464664 972339648 /nfs/dbraw/zinc/33/96/48/972339648.db2.gz SHUFYULGTJLHCW-DTWKUNHWSA-N 1 2 206.280 1.762 20 0 BDADLO c1nc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)ccc2[nH]1 ZINC001137047729 972343270 /nfs/dbraw/zinc/34/32/70/972343270.db2.gz IPKFJHBQFAGELF-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)ccc2[nH]1 ZINC001137047729 972343276 /nfs/dbraw/zinc/34/32/76/972343276.db2.gz IPKFJHBQFAGELF-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)cc2[nH]1 ZINC001137047729 972343280 /nfs/dbraw/zinc/34/32/80/972343280.db2.gz IPKFJHBQFAGELF-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cc2[nH]1 ZINC001137047729 972343284 /nfs/dbraw/zinc/34/32/84/972343284.db2.gz IPKFJHBQFAGELF-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO Cc1nc(N[C@H](C)c2ncc(F)cn2)cc[nH+]1 ZINC001171114814 972378840 /nfs/dbraw/zinc/37/88/40/972378840.db2.gz GVQLDEBZFLOKBX-SSDOTTSWSA-N 1 2 233.250 1.887 20 0 BDADLO O=C([C@H]1C[C@@H]1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001143437031 958859616 /nfs/dbraw/zinc/85/96/16/958859616.db2.gz LVHFXYWPASUJGI-GUBZILKMSA-N 1 2 237.278 1.474 20 0 BDADLO O=C1CC[C@H](Nc2ccc(C3CC3)c[nH+]2)C(=O)N1 ZINC001167572462 958894011 /nfs/dbraw/zinc/89/40/11/958894011.db2.gz FAEJJVZTAKJODJ-JTQLQIEISA-N 1 2 245.282 1.176 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2ccc(O)c(C)c2)C1 ZINC001140579514 958986319 /nfs/dbraw/zinc/98/63/19/958986319.db2.gz VKGZIACFOHNXRX-UHFFFAOYSA-N 1 2 248.326 1.363 20 0 BDADLO Cc1cnc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC001327084593 972397399 /nfs/dbraw/zinc/39/73/99/972397399.db2.gz MJQZEMIDMZLMKK-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1cnc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC001327084593 972397412 /nfs/dbraw/zinc/39/74/12/972397412.db2.gz MJQZEMIDMZLMKK-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO CCc1cncnc1NCc1cc[nH+]c(N)c1 ZINC001167613248 959062954 /nfs/dbraw/zinc/06/29/54/959062954.db2.gz IQAOLECKLBXEMO-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO COc1nccc(C)c1NCc1cc[nH+]c(N)c1 ZINC001167616676 959075052 /nfs/dbraw/zinc/07/50/52/959075052.db2.gz MCFDWZFALMJAFX-UHFFFAOYSA-N 1 2 244.298 1.988 20 0 BDADLO COc1cccc(N)c1NCc1cc[nH+]c(N)c1 ZINC001167616626 959079393 /nfs/dbraw/zinc/07/93/93/959079393.db2.gz KSIZDRWGXALNCD-UHFFFAOYSA-N 1 2 244.298 1.867 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000692395330 959183371 /nfs/dbraw/zinc/18/33/71/959183371.db2.gz UXUZNQGFDYKDIK-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000692395330 959183375 /nfs/dbraw/zinc/18/33/75/959183375.db2.gz UXUZNQGFDYKDIK-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2cnn[nH]2)c1 ZINC001203206599 959352860 /nfs/dbraw/zinc/35/28/60/959352860.db2.gz VBABWQBQTUTYMS-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2cnn[nH]2)c1 ZINC001203206599 959352879 /nfs/dbraw/zinc/35/28/79/959352879.db2.gz VBABWQBQTUTYMS-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2c[nH]nn2)c1 ZINC001203206599 959352899 /nfs/dbraw/zinc/35/28/99/959352899.db2.gz VBABWQBQTUTYMS-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2c[nH]nn2)c1 ZINC001203206599 959352917 /nfs/dbraw/zinc/35/29/17/959352917.db2.gz VBABWQBQTUTYMS-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@@H](C)C1 ZINC000724754578 959358713 /nfs/dbraw/zinc/35/87/13/959358713.db2.gz CYPBZQJYLJLIOZ-KATARQTJSA-N 1 2 248.317 1.910 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001203206910 959417457 /nfs/dbraw/zinc/41/74/57/959417457.db2.gz YFFURMZTTISYRM-ZYHUDNBSSA-N 1 2 220.320 1.959 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001203206910 959417462 /nfs/dbraw/zinc/41/74/62/959417462.db2.gz YFFURMZTTISYRM-ZYHUDNBSSA-N 1 2 220.320 1.959 20 0 BDADLO Nc1cc(N2CCC[C@H]2C2CCC2)[nH+]cn1 ZINC000708487673 959499360 /nfs/dbraw/zinc/49/93/60/959499360.db2.gz XWIZPKDGSRYDFV-JTQLQIEISA-N 1 2 218.304 1.828 20 0 BDADLO CCC(=O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001143951398 972441580 /nfs/dbraw/zinc/44/15/80/972441580.db2.gz MDWGENMAUUMRLA-UHFFFAOYSA-N 1 2 217.228 1.252 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000309343204 959854116 /nfs/dbraw/zinc/85/41/16/959854116.db2.gz LAGWTCPCQONRQP-GHMZBOCLSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000309343206 959855204 /nfs/dbraw/zinc/85/52/04/959855204.db2.gz LAGWTCPCQONRQP-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO CC/C=C/CC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001267635445 960152188 /nfs/dbraw/zinc/15/21/88/960152188.db2.gz CLMYAIWVLPQEMC-ONEGZZNKSA-N 1 2 232.274 1.408 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001141031521 960217834 /nfs/dbraw/zinc/21/78/34/960217834.db2.gz QKEZWIGJPKOCBO-LBPRGKRZSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001141031521 960217850 /nfs/dbraw/zinc/21/78/50/960217850.db2.gz QKEZWIGJPKOCBO-LBPRGKRZSA-N 1 2 236.290 1.893 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001267747444 960283551 /nfs/dbraw/zinc/28/35/51/960283551.db2.gz UQKKUZIWEWJTOR-NXEZZACHSA-N 1 2 234.290 1.141 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001267747444 960283569 /nfs/dbraw/zinc/28/35/69/960283569.db2.gz UQKKUZIWEWJTOR-NXEZZACHSA-N 1 2 234.290 1.141 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ncc1F ZINC001140605454 960454377 /nfs/dbraw/zinc/45/43/77/960454377.db2.gz BNDORWIIAAYWBL-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cc(Cl)ncc1F ZINC001140605454 960454386 /nfs/dbraw/zinc/45/43/86/960454386.db2.gz BNDORWIIAAYWBL-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)ncc1F ZINC001140605770 960456075 /nfs/dbraw/zinc/45/60/75/960456075.db2.gz LEJVJBZDIXQURF-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)ncc1F ZINC001140605770 960456088 /nfs/dbraw/zinc/45/60/88/960456088.db2.gz LEJVJBZDIXQURF-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(CO)o2)CCC1=O ZINC001140679337 960492553 /nfs/dbraw/zinc/49/25/53/960492553.db2.gz XGKKTCLOFKXGJZ-SNVBAGLBSA-N 1 2 237.299 1.573 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)CCC1=O ZINC001140679337 960492563 /nfs/dbraw/zinc/49/25/63/960492563.db2.gz XGKKTCLOFKXGJZ-SNVBAGLBSA-N 1 2 237.299 1.573 20 0 BDADLO Cc1oc(C(=O)[O-])cc1C[NH2+]CCn1cc[nH+]c1 ZINC000235826283 960506371 /nfs/dbraw/zinc/50/63/71/960506371.db2.gz FRXPYKUMTYRNFL-UHFFFAOYSA-N 1 2 249.270 1.273 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCn2nccc2C1 ZINC001203066157 960569519 /nfs/dbraw/zinc/56/95/19/960569519.db2.gz WAOVGPJBZAFSOL-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCn2nccc2C1 ZINC001203066157 960569534 /nfs/dbraw/zinc/56/95/34/960569534.db2.gz WAOVGPJBZAFSOL-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO CC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000212049019 960583379 /nfs/dbraw/zinc/58/33/79/960583379.db2.gz CKTUFJPUBJCHOJ-GFCCVEGCSA-N 1 2 238.718 1.833 20 0 BDADLO C[C@H]([NH2+]Cc1ccncc1)c1nncn1C ZINC000037016817 960650360 /nfs/dbraw/zinc/65/03/60/960650360.db2.gz CRQAHXDWHCAWFP-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO CSCCC(=O)N1CCc2[nH+]ccn2CC1 ZINC001144053141 972525031 /nfs/dbraw/zinc/52/50/31/972525031.db2.gz MSRQPFMWGQGABD-UHFFFAOYSA-N 1 2 239.344 1.021 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3cnco3)C2)C1 ZINC001140927361 960692557 /nfs/dbraw/zinc/69/25/57/960692557.db2.gz OZUQRAUMEZFZTG-UHFFFAOYSA-N 1 2 214.215 1.906 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnco2)CCCC1=O ZINC001140927610 960694211 /nfs/dbraw/zinc/69/42/11/960694211.db2.gz XOKMFOMRSHFMAT-VIFPVBQESA-N 1 2 208.261 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnco2)CCCC1=O ZINC001140927610 960694220 /nfs/dbraw/zinc/69/42/20/960694220.db2.gz XOKMFOMRSHFMAT-VIFPVBQESA-N 1 2 208.261 1.476 20 0 BDADLO FC1(F)CO[C@H]2C[N@H+](Cc3cnco3)C[C@H]21 ZINC001140928950 960704918 /nfs/dbraw/zinc/70/49/18/960704918.db2.gz XNZGPVSYRREJAZ-BDAKNGLRSA-N 1 2 230.214 1.141 20 0 BDADLO FC1(F)CO[C@H]2C[N@@H+](Cc3cnco3)C[C@H]21 ZINC001140928950 960704932 /nfs/dbraw/zinc/70/49/32/960704932.db2.gz XNZGPVSYRREJAZ-BDAKNGLRSA-N 1 2 230.214 1.141 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1COc2cnccc21 ZINC001222600165 960720839 /nfs/dbraw/zinc/72/08/39/960720839.db2.gz MJJIZLXYQYSCLH-GFCCVEGCSA-N 1 2 231.255 1.465 20 0 BDADLO COc1ccc(C)[nH+]c1NCc1c[nH]cn1 ZINC000124584619 960748347 /nfs/dbraw/zinc/74/83/47/960748347.db2.gz OZINCEUISRBSIX-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO OC1C[NH+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141003514 960800512 /nfs/dbraw/zinc/80/05/12/960800512.db2.gz WLZCVTXBWWGQNA-UHFFFAOYSA-N 1 2 246.335 1.987 20 0 BDADLO CCC(=O)NC1CC[NH+](Cc2ncco2)CC1 ZINC001141008736 960809589 /nfs/dbraw/zinc/80/95/89/960809589.db2.gz KYOJDHGBDSYXBN-UHFFFAOYSA-N 1 2 237.303 1.165 20 0 BDADLO O=C1CCCC2(CC[NH+](Cc3ncco3)CC2)N1 ZINC001141007936 960810318 /nfs/dbraw/zinc/81/03/18/960810318.db2.gz GXQHPELNUZJXKY-UHFFFAOYSA-N 1 2 249.314 1.309 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001203086776 960814906 /nfs/dbraw/zinc/81/49/06/960814906.db2.gz YFCWSBABCFMEAB-UHFFFAOYSA-N 1 2 213.231 1.641 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cnccc2C)C1 ZINC001141035213 960826631 /nfs/dbraw/zinc/82/66/31/960826631.db2.gz OECUPWBCPVFBRC-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccn2ccnc2c1 ZINC001141047472 960833939 /nfs/dbraw/zinc/83/39/39/960833939.db2.gz JDHFQXXINZMNMU-UHFFFAOYSA-N 1 2 217.272 1.355 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccn2ccnc2c1 ZINC001141047472 960833950 /nfs/dbraw/zinc/83/39/50/960833950.db2.gz JDHFQXXINZMNMU-UHFFFAOYSA-N 1 2 217.272 1.355 20 0 BDADLO CC(C)OC1CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141050039 960840562 /nfs/dbraw/zinc/84/05/62/960840562.db2.gz YABFJCMMPIRKEG-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CCCCc1[nH]c(CN2CC3(COC3)C2)c[nH+]1 ZINC001141066578 960850874 /nfs/dbraw/zinc/85/08/74/960850874.db2.gz JYIWXJFOWARYIJ-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO CCCCc1[nH]cc(CN2CC3(COC3)C2)[nH+]1 ZINC001141066578 960850875 /nfs/dbraw/zinc/85/08/75/960850875.db2.gz JYIWXJFOWARYIJ-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1cocn1 ZINC001141129256 960875663 /nfs/dbraw/zinc/87/56/63/960875663.db2.gz CIPWMZWGXFEKPA-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1cocn1 ZINC001141129256 960875673 /nfs/dbraw/zinc/87/56/73/960875673.db2.gz CIPWMZWGXFEKPA-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2cocn2)CC12CC2 ZINC001141132100 960880222 /nfs/dbraw/zinc/88/02/22/960880222.db2.gz UDBBAOPBTJEGNP-JTQLQIEISA-N 1 2 236.271 1.060 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2cocn2)CC12CC2 ZINC001141132100 960880227 /nfs/dbraw/zinc/88/02/27/960880227.db2.gz UDBBAOPBTJEGNP-JTQLQIEISA-N 1 2 236.271 1.060 20 0 BDADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)n1cccc1 ZINC000121317289 960890648 /nfs/dbraw/zinc/89/06/48/960890648.db2.gz HOACFWLEUIJLPZ-NSHDSACASA-N 1 2 246.314 1.142 20 0 BDADLO O[C@H](C[N@@H+]1CC[C@@H](F)C1)c1ccccc1F ZINC000689818329 960916012 /nfs/dbraw/zinc/91/60/12/960916012.db2.gz QPPCFILYZSYYNI-BXKDBHETSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@H](C[N@H+]1CC[C@@H](F)C1)c1ccccc1F ZINC000689818329 960916035 /nfs/dbraw/zinc/91/60/35/960916035.db2.gz QPPCFILYZSYYNI-BXKDBHETSA-N 1 2 227.254 1.903 20 0 BDADLO C[C@H](CCCCO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001141261362 961025272 /nfs/dbraw/zinc/02/52/72/961025272.db2.gz ASAUHYFCDDJASM-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001141270310 961033723 /nfs/dbraw/zinc/03/37/23/961033723.db2.gz PGSKIDATYWHNIF-KGLIPLIRSA-N 1 2 232.327 1.726 20 0 BDADLO CN(C)c1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001141270310 961033752 /nfs/dbraw/zinc/03/37/52/961033752.db2.gz PGSKIDATYWHNIF-KGLIPLIRSA-N 1 2 232.327 1.726 20 0 BDADLO C[N@H+](Cc1cccc2c1OCO2)C1(C)COC1 ZINC001141958469 961189157 /nfs/dbraw/zinc/18/91/57/961189157.db2.gz GRQXKWONJMLAQK-UHFFFAOYSA-N 1 2 235.283 1.636 20 0 BDADLO C[N@@H+](Cc1cccc2c1OCO2)C1(C)COC1 ZINC001141958469 961189174 /nfs/dbraw/zinc/18/91/74/961189174.db2.gz GRQXKWONJMLAQK-UHFFFAOYSA-N 1 2 235.283 1.636 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1c1ccco1 ZINC001142123623 961254290 /nfs/dbraw/zinc/25/42/90/961254290.db2.gz WPCMPUPBWXWMDM-NXEZZACHSA-N 1 2 245.282 1.608 20 0 BDADLO CC(C)[N@H+](CCCCCO)Cc1cn[nH]n1 ZINC001203211508 961313334 /nfs/dbraw/zinc/31/33/34/961313334.db2.gz GZSHGUFCZKZUST-UHFFFAOYSA-N 1 2 226.324 1.178 20 0 BDADLO CC(C)[N@@H+](CCCCCO)Cc1cn[nH]n1 ZINC001203211508 961313361 /nfs/dbraw/zinc/31/33/61/961313361.db2.gz GZSHGUFCZKZUST-UHFFFAOYSA-N 1 2 226.324 1.178 20 0 BDADLO [NH2+]=CNc1cc(Br)ccn1 ZINC001167865314 961336692 /nfs/dbraw/zinc/33/66/92/961336692.db2.gz ORFOIPIWTZMBKF-UHFFFAOYSA-N 1 2 200.039 1.863 20 0 BDADLO Cc1nc(NCCn2ccnn2)cc(C(C)C)[nH+]1 ZINC000709766867 961483812 /nfs/dbraw/zinc/48/38/12/961483812.db2.gz IWLYZVRMQNXCNT-UHFFFAOYSA-N 1 2 246.318 1.612 20 0 BDADLO CCC[C@@H](C)CC(=O)NC1C[NH+](CCOC)C1 ZINC001268258132 961496183 /nfs/dbraw/zinc/49/61/83/961496183.db2.gz XQSFSCIVHYWGFW-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[NH+]1CC(NC(=O)COCC2CCCC2)C1 ZINC001268328075 961609081 /nfs/dbraw/zinc/60/90/81/961609081.db2.gz NUVFGGWNMWWZJK-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001142719005 961680469 /nfs/dbraw/zinc/68/04/69/961680469.db2.gz YAGYTYODHWCFLT-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001143551927 961820124 /nfs/dbraw/zinc/82/01/24/961820124.db2.gz NKXHCAOAMUORBP-SNVBAGLBSA-N 1 2 243.253 1.540 20 0 BDADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001143551927 961820128 /nfs/dbraw/zinc/82/01/28/961820128.db2.gz NKXHCAOAMUORBP-SNVBAGLBSA-N 1 2 243.253 1.540 20 0 BDADLO CN1CC[NH+](Cc2cccn3ccnc23)CC1 ZINC001142951103 961853458 /nfs/dbraw/zinc/85/34/58/961853458.db2.gz XOGNEHAAFJKPLO-UHFFFAOYSA-N 1 2 230.315 1.082 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3nccn3c2)CCO1 ZINC001143022502 961867403 /nfs/dbraw/zinc/86/74/03/961867403.db2.gz QTNVUGRFKMIZHQ-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3nccn3c2)CCO1 ZINC001143022502 961867407 /nfs/dbraw/zinc/86/74/07/961867407.db2.gz QTNVUGRFKMIZHQ-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)CCO1 ZINC001143022502 961867411 /nfs/dbraw/zinc/86/74/11/961867411.db2.gz QTNVUGRFKMIZHQ-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO COC(=O)[C@H](C)N(C)Cc1ccc2[nH+]ccn2c1 ZINC001143026847 961869870 /nfs/dbraw/zinc/86/98/70/961869870.db2.gz GIPAVQZRJVNQDD-JTQLQIEISA-N 1 2 247.298 1.328 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc2cccnc2[nH]1 ZINC001143212528 961951604 /nfs/dbraw/zinc/95/16/04/961951604.db2.gz UTQVRHSTPDUNSO-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143212528 961951613 /nfs/dbraw/zinc/95/16/13/961951613.db2.gz UTQVRHSTPDUNSO-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CC[C@@H]1CN(C(=O)[C@@H](C)n2cc[nH+]c2)CCO1 ZINC000045880550 962081256 /nfs/dbraw/zinc/08/12/56/962081256.db2.gz HZCGVCISKPNOGQ-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)CC(=O)N3)C1 ZINC001225495811 962201888 /nfs/dbraw/zinc/20/18/88/962201888.db2.gz BXFMNYZDAGIABB-UHFFFAOYSA-N 1 2 232.283 1.264 20 0 BDADLO CC[C@H](F)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150708322 962202637 /nfs/dbraw/zinc/20/26/37/962202637.db2.gz HZXMCYJICOMUCI-JTQLQIEISA-N 1 2 237.278 1.297 20 0 BDADLO CCN(C)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152969102 962501303 /nfs/dbraw/zinc/50/13/03/962501303.db2.gz AOUDLVQCCULUDK-UHFFFAOYSA-N 1 2 203.245 1.655 20 0 BDADLO CC(C)CCCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001269311821 962598537 /nfs/dbraw/zinc/59/85/37/962598537.db2.gz WDZWLGYNCIDAKN-LBPRGKRZSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)CCCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001269311821 962598543 /nfs/dbraw/zinc/59/85/43/962598543.db2.gz WDZWLGYNCIDAKN-LBPRGKRZSA-N 1 2 244.354 1.973 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1ccccc1F)C2 ZINC001269551117 962715306 /nfs/dbraw/zinc/71/53/06/962715306.db2.gz CYUUQUABMKHVNI-UHFFFAOYSA-N 1 2 234.274 1.356 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1ccccc1F)C2 ZINC001269551117 962715323 /nfs/dbraw/zinc/71/53/23/962715323.db2.gz CYUUQUABMKHVNI-UHFFFAOYSA-N 1 2 234.274 1.356 20 0 BDADLO Cc1occc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001270304617 962938287 /nfs/dbraw/zinc/93/82/87/962938287.db2.gz RWLYTVOARHPVTB-UHFFFAOYSA-N 1 2 220.272 1.118 20 0 BDADLO Cc1occc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001270304617 962938303 /nfs/dbraw/zinc/93/83/03/962938303.db2.gz RWLYTVOARHPVTB-UHFFFAOYSA-N 1 2 220.272 1.118 20 0 BDADLO Nc1ccc(NCCN2CCCCO2)[nH+]c1 ZINC001154998064 962939097 /nfs/dbraw/zinc/93/90/97/962939097.db2.gz YYGKJNDKDMXNQO-UHFFFAOYSA-N 1 2 222.292 1.103 20 0 BDADLO Cc1c(F)ncnc1NCc1c[nH+]cn1C ZINC000696400736 962955542 /nfs/dbraw/zinc/95/55/42/962955542.db2.gz MQXHULNRBWIHKB-UHFFFAOYSA-N 1 2 221.239 1.270 20 0 BDADLO Nc1cn(-c2ccn3cc[nH+]c3c2)nc1Cl ZINC001204965656 962982223 /nfs/dbraw/zinc/98/22/23/962982223.db2.gz FQCBGZJONMSBPP-UHFFFAOYSA-N 1 2 233.662 1.756 20 0 BDADLO COC(=O)c1cc(NC(=[NH2+])C(C)(C)C)ncn1 ZINC001155181462 963003579 /nfs/dbraw/zinc/00/35/79/963003579.db2.gz QKRIHMFNDDQJNZ-UHFFFAOYSA-N 1 2 236.275 1.698 20 0 BDADLO OC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000335477005 963004626 /nfs/dbraw/zinc/00/46/26/963004626.db2.gz RFACYVVGGFGEIZ-UHFFFAOYSA-N 1 2 213.227 1.801 20 0 BDADLO C=Cc1ccc(NC[C@H]2C[N@H+](C)CCO2)nc1 ZINC001155197256 963018503 /nfs/dbraw/zinc/01/85/03/963018503.db2.gz KHPBYALFIZPMPW-LBPRGKRZSA-N 1 2 233.315 1.467 20 0 BDADLO C=Cc1ccc(NC[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001155197256 963018514 /nfs/dbraw/zinc/01/85/14/963018514.db2.gz KHPBYALFIZPMPW-LBPRGKRZSA-N 1 2 233.315 1.467 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206654870 963043232 /nfs/dbraw/zinc/04/32/32/963043232.db2.gz DVWONKYVVZOKIL-JTQLQIEISA-N 1 2 244.289 1.195 20 0 BDADLO CCC(CO)(CO)Nc1ccc(C2CC2)c[nH+]1 ZINC001167971378 963048226 /nfs/dbraw/zinc/04/82/26/963048226.db2.gz HSWIDWYALCULCB-UHFFFAOYSA-N 1 2 236.315 1.504 20 0 BDADLO COCC(C)(C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001156457164 963360029 /nfs/dbraw/zinc/36/00/29/963360029.db2.gz JPHYMZRHMQLXOL-UHFFFAOYSA-N 1 2 239.323 1.083 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@]2(C)CC2(F)F)c[nH+]1 ZINC001156538414 963382654 /nfs/dbraw/zinc/38/26/54/963382654.db2.gz UKJFBZORHRHXEC-SNVBAGLBSA-N 1 2 243.257 1.634 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@]2(C)CC2(F)F)[nH+]1 ZINC001156538414 963382660 /nfs/dbraw/zinc/38/26/60/963382660.db2.gz UKJFBZORHRHXEC-SNVBAGLBSA-N 1 2 243.257 1.634 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccc(F)cn2)c[nH+]1 ZINC001156538362 963382810 /nfs/dbraw/zinc/38/28/10/963382810.db2.gz RXZCMVUPCDVILJ-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccc(F)cn2)[nH+]1 ZINC001156538362 963382818 /nfs/dbraw/zinc/38/28/18/963382818.db2.gz RXZCMVUPCDVILJ-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@@](C)(C(N)=O)C(C)C ZINC001156648778 963427864 /nfs/dbraw/zinc/42/78/64/963427864.db2.gz RCFQEAALFSIFPZ-GFCCVEGCSA-N 1 2 239.294 1.841 20 0 BDADLO Nc1cc(CNc2ccc(F)nn2)cc[nH+]1 ZINC001156757564 963453992 /nfs/dbraw/zinc/45/39/92/963453992.db2.gz WCMDVBPPLHPLQX-UHFFFAOYSA-N 1 2 219.223 1.205 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)C[C@@]1(C)CO ZINC001204384109 963454085 /nfs/dbraw/zinc/45/40/85/963454085.db2.gz RRLAIGYOOALDPZ-JTQLQIEISA-N 1 2 245.273 1.012 20 0 BDADLO Nc1cc(CNc2cncc(Cl)n2)cc[nH+]1 ZINC001156756161 963454514 /nfs/dbraw/zinc/45/45/14/963454514.db2.gz PWNHWLJIPWIOPL-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO COC/C=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156799862 963466116 /nfs/dbraw/zinc/46/61/16/963466116.db2.gz GMQYPWYSIMTQMM-IHWYPQMZSA-N 1 2 231.255 1.475 20 0 BDADLO C[C@@H]1CCN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156972430 963502416 /nfs/dbraw/zinc/50/24/16/963502416.db2.gz OCPKETNTWFYKIX-SSDOTTSWSA-N 1 2 230.271 1.380 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2C(F)F)[nH+]c1C ZINC000896910019 963521034 /nfs/dbraw/zinc/52/10/34/963521034.db2.gz HCORWCULTDFGCM-YUMQZZPRSA-N 1 2 243.257 1.544 20 0 BDADLO CN(Cc1ccno1)c1cc(N)cc(Cl)[nH+]1 ZINC001157348347 963579455 /nfs/dbraw/zinc/57/94/55/963579455.db2.gz BOUCOJNOAOVCJS-UHFFFAOYSA-N 1 2 238.678 1.942 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168076658 963617333 /nfs/dbraw/zinc/61/73/33/963617333.db2.gz ZHQVGVMLWPFDDC-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1ccc(N(CC)CCn2cc[nH+]c2)nn1 ZINC001157462464 963621019 /nfs/dbraw/zinc/62/10/19/963621019.db2.gz JJWNTSGFOCNOJF-UHFFFAOYSA-N 1 2 245.330 1.762 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000093170692 963627719 /nfs/dbraw/zinc/62/77/19/963627719.db2.gz YJXNLGGDTMPSHH-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1nc(NCC2CC(=O)C2)c2c([nH+]1)CCC2 ZINC001157608570 963677397 /nfs/dbraw/zinc/67/73/97/963677397.db2.gz FARCLIKMYJKTBZ-UHFFFAOYSA-N 1 2 231.299 1.665 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1C ZINC001088436602 963775479 /nfs/dbraw/zinc/77/54/79/963775479.db2.gz VQBSOWQAGKBGOF-SCZZXKLOSA-N 1 2 239.344 1.242 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1C ZINC001088436602 963775481 /nfs/dbraw/zinc/77/54/81/963775481.db2.gz VQBSOWQAGKBGOF-SCZZXKLOSA-N 1 2 239.344 1.242 20 0 BDADLO Cc1nc(N[C@@H](C)CCNC(=O)C2CC2)cc[nH+]1 ZINC001098739050 963798999 /nfs/dbraw/zinc/79/89/99/963798999.db2.gz FTVXBORWLCKHMQ-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO Cc1cc(N[C@H]2COC(=O)C2)nc(C(C)(C)C)[nH+]1 ZINC001158251545 963840829 /nfs/dbraw/zinc/84/08/29/963840829.db2.gz NLUXOOXXLLFODT-SECBINFHSA-N 1 2 249.314 1.810 20 0 BDADLO C[C@@H](CC(C)(C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001158385659 963856875 /nfs/dbraw/zinc/85/68/75/963856875.db2.gz HEYIODWSQOUKND-VIFPVBQESA-N 1 2 239.319 1.008 20 0 BDADLO C[C@@H](CC(C)(C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001158385659 963856882 /nfs/dbraw/zinc/85/68/82/963856882.db2.gz HEYIODWSQOUKND-VIFPVBQESA-N 1 2 239.319 1.008 20 0 BDADLO Cc1cc2cc(NC3(CO)COC3)[nH+]cc2[nH]1 ZINC001168176912 963920758 /nfs/dbraw/zinc/92/07/58/963920758.db2.gz ALGLGHDXFGZXHG-UHFFFAOYSA-N 1 2 233.271 1.045 20 0 BDADLO COCCOC1CN(c2cccc(C3CC3)[nH+]2)C1 ZINC001158978448 963966408 /nfs/dbraw/zinc/96/64/08/963966408.db2.gz FUVWVVQWOPGZPJ-UHFFFAOYSA-N 1 2 248.326 1.811 20 0 BDADLO CC(C)(C)c1coc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001159190220 964014308 /nfs/dbraw/zinc/01/43/08/964014308.db2.gz NJRDXLZFRFKARK-UHFFFAOYSA-N 1 2 248.286 1.876 20 0 BDADLO CCOc1ccc[nH+]c1NCC(C)(OC)OC ZINC001159383017 964070789 /nfs/dbraw/zinc/07/07/89/964070789.db2.gz XXMWHMMGQCNICD-UHFFFAOYSA-N 1 2 240.303 1.901 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)CC(C)(C)O ZINC000093437195 964128965 /nfs/dbraw/zinc/12/89/65/964128965.db2.gz TVEPKWSWTMNTNQ-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)CC(C)(C)O ZINC000093437195 964128973 /nfs/dbraw/zinc/12/89/73/964128973.db2.gz TVEPKWSWTMNTNQ-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO COc1cc(-c2noc(C[NH+]3CCC3)n2)ccn1 ZINC001212095678 964258510 /nfs/dbraw/zinc/25/85/10/964258510.db2.gz UBUPHHJJYOUJIP-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OCc1cccs1 ZINC001223863439 964273849 /nfs/dbraw/zinc/27/38/49/964273849.db2.gz AAXVFXQNLZEIDG-LLVKDONJSA-N 1 2 241.356 1.985 20 0 BDADLO CSc1nc(NCC[C@@H](C)CO)cc(C)[nH+]1 ZINC001160603071 964353144 /nfs/dbraw/zinc/35/31/44/964353144.db2.gz VYYLOLJWQHRKPC-MRVPVSSYSA-N 1 2 241.360 1.937 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](C)CNC(C)=O ZINC001160653414 964374749 /nfs/dbraw/zinc/37/47/49/964374749.db2.gz JRXYMAJIBOLWAV-SECBINFHSA-N 1 2 237.303 1.274 20 0 BDADLO COc1cc[nH+]cc1NCc1ccc(=O)[nH]c1 ZINC001168299235 964391640 /nfs/dbraw/zinc/39/16/40/964391640.db2.gz BZICHDRUMHDHCI-UHFFFAOYSA-N 1 2 231.255 1.803 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@]1(C)CC=CCC1 ZINC001142549938 964394365 /nfs/dbraw/zinc/39/43/65/964394365.db2.gz AVXOTWGFJMJCDC-CQSZACIVSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)nc1 ZINC001168309123 964408336 /nfs/dbraw/zinc/40/83/36/964408336.db2.gz JUKZOGOZLWLICH-ZJUUUORDSA-N 1 2 239.269 1.872 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)nc1 ZINC001168309123 964408341 /nfs/dbraw/zinc/40/83/41/964408341.db2.gz JUKZOGOZLWLICH-ZJUUUORDSA-N 1 2 239.269 1.872 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cnon1 ZINC001168308777 964408570 /nfs/dbraw/zinc/40/85/70/964408570.db2.gz ININRNGVRIATSI-NSHDSACASA-N 1 2 247.298 1.625 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cnon1 ZINC001168308777 964408579 /nfs/dbraw/zinc/40/85/79/964408579.db2.gz ININRNGVRIATSI-NSHDSACASA-N 1 2 247.298 1.625 20 0 BDADLO CCC1(CNc2ccc(N(C)C)c[nH+]2)COC1 ZINC001168332205 964463347 /nfs/dbraw/zinc/46/33/47/964463347.db2.gz JSRTVSGJXCRDME-UHFFFAOYSA-N 1 2 235.331 1.986 20 0 BDADLO Nc1cccnc1NCc1[nH+]cn2ccccc12 ZINC001161684212 964682644 /nfs/dbraw/zinc/68/26/44/964682644.db2.gz JJBOEBQSKBMNDH-UHFFFAOYSA-N 1 2 239.282 1.924 20 0 BDADLO c1cn(CCCNc2nncc3ccoc32)c[nH+]1 ZINC001161682379 964683889 /nfs/dbraw/zinc/68/38/89/964683889.db2.gz PIBFOPMRRRGUKK-UHFFFAOYSA-N 1 2 243.270 1.922 20 0 BDADLO CCc1nc(NCCCn2cc[nH+]c2)ncc1F ZINC001161682209 964683932 /nfs/dbraw/zinc/68/39/32/964683932.db2.gz KKHWAVGGPDHXKE-UHFFFAOYSA-N 1 2 249.293 1.877 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CCO[C@H](C)C2)c1C(N)=O ZINC001161691537 964690621 /nfs/dbraw/zinc/69/06/21/964690621.db2.gz OWWOCYXFXXTCLQ-ZJUUUORDSA-N 1 2 249.314 1.468 20 0 BDADLO CC[C@@H]1C(=O)Nc2c[nH+]c(N)nc2N1C(C)C ZINC001161693811 964691940 /nfs/dbraw/zinc/69/19/40/964691940.db2.gz GIFQXNMLCPTUQB-MRVPVSSYSA-N 1 2 235.291 1.004 20 0 BDADLO CN(C)c1ccc(NCC2COC2)[nH+]c1 ZINC001161951433 964836013 /nfs/dbraw/zinc/83/60/13/964836013.db2.gz PDSUHBBHXXLWHU-UHFFFAOYSA-N 1 2 207.277 1.206 20 0 BDADLO COC(=O)Cc1ccc(NC2CC(F)C2)[nH+]c1 ZINC001162208865 964871415 /nfs/dbraw/zinc/87/14/15/964871415.db2.gz ADHINWZFNUBFGH-UHFFFAOYSA-N 1 2 238.262 1.710 20 0 BDADLO Cc1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168369427 964903841 /nfs/dbraw/zinc/90/38/41/964903841.db2.gz BOZADDCYVGELBX-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168369427 964903860 /nfs/dbraw/zinc/90/38/60/964903860.db2.gz BOZADDCYVGELBX-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO CC(C)C[C@H](CO)Nc1ccc(N(C)C)c[nH+]1 ZINC001162370866 964946527 /nfs/dbraw/zinc/94/65/27/964946527.db2.gz OZMFBNQDOCFEFO-LLVKDONJSA-N 1 2 237.347 1.967 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCC[C@H]2CO)c1 ZINC001162603423 965075633 /nfs/dbraw/zinc/07/56/33/965075633.db2.gz RKMMOLAGDBUWBC-RYUDHWBXSA-N 1 2 236.315 1.801 20 0 BDADLO Cc1cc[nH+]c(C)c1Nc1c[nH]c(=O)nc1N ZINC001162788958 965170561 /nfs/dbraw/zinc/17/05/61/965170561.db2.gz UDMOCKNRFYKJFA-UHFFFAOYSA-N 1 2 231.259 1.520 20 0 BDADLO CC[C@@H](CO)Nc1cc(SC)cc[nH+]1 ZINC001163045355 965243821 /nfs/dbraw/zinc/24/38/21/965243821.db2.gz RICCAYNKMPELEV-QMMMGPOBSA-N 1 2 212.318 1.986 20 0 BDADLO CC1(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)CC1 ZINC001483653090 965377765 /nfs/dbraw/zinc/37/77/65/965377765.db2.gz NWCWABOQIPDGLO-LGIFSFGNSA-N 1 2 242.750 1.730 20 0 BDADLO CC1(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)CC1 ZINC001483653090 965377775 /nfs/dbraw/zinc/37/77/75/965377775.db2.gz NWCWABOQIPDGLO-LGIFSFGNSA-N 1 2 242.750 1.730 20 0 BDADLO CC1(C(=O)NC[C@H]2CC[N@@H+]2C/C=C/Cl)CC1 ZINC001483653083 965378247 /nfs/dbraw/zinc/37/82/47/965378247.db2.gz NWCWABOQIPDGLO-GCEAOBNSSA-N 1 2 242.750 1.730 20 0 BDADLO CC1(C(=O)NC[C@H]2CC[N@H+]2C/C=C/Cl)CC1 ZINC001483653083 965378265 /nfs/dbraw/zinc/37/82/65/965378265.db2.gz NWCWABOQIPDGLO-GCEAOBNSSA-N 1 2 242.750 1.730 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCCC[C@H]1CO ZINC001163552001 965448325 /nfs/dbraw/zinc/44/83/25/965448325.db2.gz SPHDWYJVHUHRAN-NSHDSACASA-N 1 2 236.315 1.750 20 0 BDADLO Cc1c[nH+]c(N(C)C)nc1N1CCCC1 ZINC001163567159 965452533 /nfs/dbraw/zinc/45/25/33/965452533.db2.gz MUAVQYBZRICIJP-UHFFFAOYSA-N 1 2 206.293 1.451 20 0 BDADLO COCC1CN(c2cc(N)cc(Cl)[nH+]2)C1 ZINC001163729855 965543187 /nfs/dbraw/zinc/54/31/87/965543187.db2.gz BLNJUGQLCAODDN-UHFFFAOYSA-N 1 2 227.695 1.400 20 0 BDADLO COCC1CN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001163734542 965548480 /nfs/dbraw/zinc/54/84/80/965548480.db2.gz LRMHYJKWFDHGSZ-UHFFFAOYSA-N 1 2 227.695 1.400 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1)n1cc[nH+]c1 ZINC001163878095 965617325 /nfs/dbraw/zinc/61/73/25/965617325.db2.gz RZFKWPIDDWKWFI-KKOKHZNYSA-N 1 2 249.314 1.128 20 0 BDADLO Cc1nccn1CCNc1cccn2c[nH+]cc12 ZINC001163928701 965641270 /nfs/dbraw/zinc/64/12/70/965641270.db2.gz KNUOVEUCOOBBHX-UHFFFAOYSA-N 1 2 241.298 1.951 20 0 BDADLO O=S1(=O)C=C[C@H](Nc2cccn3cc[nH+]c23)C1 ZINC001164016916 965696237 /nfs/dbraw/zinc/69/62/37/965696237.db2.gz YTAHTKFTDCSMRY-VIFPVBQESA-N 1 2 249.295 1.057 20 0 BDADLO Cc1nc(N2C[C@@H](O)[C@@H](F)C2)cc(C(C)C)[nH+]1 ZINC001164104080 965735334 /nfs/dbraw/zinc/73/53/34/965735334.db2.gz HJTLEKYIWVIYSV-GXSJLCMTSA-N 1 2 239.294 1.427 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCC(=O)[C@@H](F)C1 ZINC001164132397 965752713 /nfs/dbraw/zinc/75/27/13/965752713.db2.gz IQHQQDIRCAHPTN-JTQLQIEISA-N 1 2 237.278 1.601 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H]2CO)c(C)c(C)[nH+]1 ZINC001164154648 965764855 /nfs/dbraw/zinc/76/48/55/965764855.db2.gz PYPSUHGJDUYDBH-UFBFGSQYSA-N 1 2 235.331 1.609 20 0 BDADLO Cn1c[nH+]c2ccc(NC[C@H]3CCC(=O)N3)cc21 ZINC001164166696 965771930 /nfs/dbraw/zinc/77/19/30/965771930.db2.gz JBBDXQRCXUTVAS-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO Cc1cc(NC[C@@H]2CCC(=O)N2)[nH+]c2cc[nH]c21 ZINC001164174407 965777255 /nfs/dbraw/zinc/77/72/55/965777255.db2.gz RRVFLSRMWBFSRD-VIFPVBQESA-N 1 2 244.298 1.562 20 0 BDADLO Fc1c[nH+]ccc1NCc1ccc2nonc2c1 ZINC001164344055 965853448 /nfs/dbraw/zinc/85/34/48/965853448.db2.gz KAJAYIKBKHBJPH-UHFFFAOYSA-N 1 2 244.229 1.791 20 0 BDADLO Cn1c[nH+]cc1CNc1nccnc1C1CC1 ZINC000699465238 965892612 /nfs/dbraw/zinc/89/26/12/965892612.db2.gz XIZSKZGQBOYCCG-UHFFFAOYSA-N 1 2 229.287 1.700 20 0 BDADLO COC(=O)CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001164570288 965923286 /nfs/dbraw/zinc/92/32/86/965923286.db2.gz GVWPMLYPNSTISX-UHFFFAOYSA-N 1 2 249.245 1.596 20 0 BDADLO CCc1cc(C[NH+]2CC3(CSC3)C2)on1 ZINC001203227490 966097541 /nfs/dbraw/zinc/09/75/41/966097541.db2.gz GKQHCZQHNLZUGO-UHFFFAOYSA-N 1 2 224.329 1.786 20 0 BDADLO COc1cncc(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000699840943 966133382 /nfs/dbraw/zinc/13/33/82/966133382.db2.gz RAROEXDBPHZHDA-LBPRGKRZSA-N 1 2 244.298 1.521 20 0 BDADLO c1ccc(NC2(c3cccnn3)CC2)[nH+]c1 ZINC001168514079 966216594 /nfs/dbraw/zinc/21/65/94/966216594.db2.gz OOCVASMPHRPNJE-UHFFFAOYSA-N 1 2 212.256 1.973 20 0 BDADLO CCn1cccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001123833470 966277664 /nfs/dbraw/zinc/27/76/64/966277664.db2.gz HJLRITIIRWWWML-SNVBAGLBSA-N 1 2 244.298 1.579 20 0 BDADLO Cc1ccc2[nH]nc(C[N@H+](C)CCO)c2c1 ZINC001236255433 966326515 /nfs/dbraw/zinc/32/65/15/966326515.db2.gz NEIGGCXYMMFYMC-UHFFFAOYSA-N 1 2 219.288 1.295 20 0 BDADLO Cc1ccc2[nH]nc(C[N@@H+](C)CCO)c2c1 ZINC001236255433 966326521 /nfs/dbraw/zinc/32/65/21/966326521.db2.gz NEIGGCXYMMFYMC-UHFFFAOYSA-N 1 2 219.288 1.295 20 0 BDADLO CC(=O)OC1CN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166647598 966345817 /nfs/dbraw/zinc/34/58/17/966345817.db2.gz SNRAACLGXXZZCS-UHFFFAOYSA-N 1 2 232.283 1.711 20 0 BDADLO Cc1c(F)cc[nH+]c1N(C)CC(=O)N(C)C ZINC001166660752 966350599 /nfs/dbraw/zinc/35/05/99/966350599.db2.gz DHVZWCSWONGEIX-UHFFFAOYSA-N 1 2 225.267 1.054 20 0 BDADLO Cc1cc(C(C)C)nc(NCc2c[nH+]cn2C)n1 ZINC000388488976 966421126 /nfs/dbraw/zinc/42/11/26/966421126.db2.gz FJCHNYJJIUNHDM-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@H](O)C[C@H]1C ZINC001166964693 966490272 /nfs/dbraw/zinc/49/02/72/966490272.db2.gz ZVEWANQZZONKRL-PSASIEDQSA-N 1 2 224.279 1.879 20 0 BDADLO C[C@H]1CN(c2ccc(Cl)c(N)[nH+]2)C[C@H](C)O1 ZINC001166969910 966494135 /nfs/dbraw/zinc/49/41/35/966494135.db2.gz YJXFOXZLVJHZLF-YUMQZZPRSA-N 1 2 241.722 1.931 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N(C)C1(C)COC1 ZINC001166985724 966507555 /nfs/dbraw/zinc/50/75/55/966507555.db2.gz IPUOOXPHHJFPRD-UHFFFAOYSA-N 1 2 249.314 1.574 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2occc21 ZINC001236740624 966527433 /nfs/dbraw/zinc/52/74/33/966527433.db2.gz YWMSEKFWMVRLFS-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2occc21 ZINC001236740624 966527439 /nfs/dbraw/zinc/52/74/39/966527439.db2.gz YWMSEKFWMVRLFS-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO COc1cc(NC=CC(C)(C)O)c(N)c[nH+]1 ZINC001203215670 966562019 /nfs/dbraw/zinc/56/20/19/966562019.db2.gz XVYHPBNBLTZWKS-SNAWJCMRSA-N 1 2 223.276 1.369 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1C1=CCOC1 ZINC001203388868 966616839 /nfs/dbraw/zinc/61/68/39/966616839.db2.gz HWELABGYSWBKIJ-UHFFFAOYSA-N 1 2 215.256 1.798 20 0 BDADLO CNc1ccc(Nc2cn(C)cn2)c[nH+]1 ZINC001203448376 966647264 /nfs/dbraw/zinc/64/72/64/966647264.db2.gz ZRPLMZANLUNODL-UHFFFAOYSA-N 1 2 203.249 1.600 20 0 BDADLO CNc1ccc(Nc2c(C)cnn2CCO)c[nH+]1 ZINC001203452183 966655487 /nfs/dbraw/zinc/65/54/87/966655487.db2.gz HLSJVTAXZAYEFO-UHFFFAOYSA-N 1 2 247.302 1.364 20 0 BDADLO CNc1ccc(Nc2cccc(CO)n2)c[nH+]1 ZINC001203452914 966656011 /nfs/dbraw/zinc/65/60/11/966656011.db2.gz STKQEYZYYXEAEU-UHFFFAOYSA-N 1 2 230.271 1.754 20 0 BDADLO CC(=O)NCCC1(CNc2cc[nH+]c(C)n2)CC1 ZINC001089883823 966719821 /nfs/dbraw/zinc/71/98/21/966719821.db2.gz IVPRHBGAGHRCIU-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2c(C(N)=O)cnn2C)c1 ZINC001203654598 966721401 /nfs/dbraw/zinc/72/14/01/966721401.db2.gz LYGCXILBPNDGIB-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)c1 ZINC001203817941 966786407 /nfs/dbraw/zinc/78/64/07/966786407.db2.gz PYLMMQLYQHUTKL-STQMWFEESA-N 1 2 239.290 1.864 20 0 BDADLO COc1cccc(C[N@H+]2C[C@H](F)[C@@H](OC)C2)c1 ZINC001203817941 966786416 /nfs/dbraw/zinc/78/64/16/966786416.db2.gz PYLMMQLYQHUTKL-STQMWFEESA-N 1 2 239.290 1.864 20 0 BDADLO FCCN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001203918105 966822545 /nfs/dbraw/zinc/82/25/45/966822545.db2.gz URCRZXDJYYZVQU-UHFFFAOYSA-N 1 2 240.297 1.913 20 0 BDADLO CCOC1C[NH+](Cc2ccc(OC(C)=O)cc2)C1 ZINC001203946254 966828123 /nfs/dbraw/zinc/82/81/23/966828123.db2.gz YXUWAMPNHCAOOX-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCc3ncccc3C2)n1 ZINC001203979554 966837853 /nfs/dbraw/zinc/83/78/53/966837853.db2.gz RAYKVRYFVZFTMR-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1c[nH]c(C[N@H+]2CCc3ncccc3C2)n1 ZINC001203979554 966837861 /nfs/dbraw/zinc/83/78/61/966837861.db2.gz RAYKVRYFVZFTMR-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1c[nH]c(C[NH+]2CCC(c3ncccn3)CC2)n1 ZINC001203983599 966841516 /nfs/dbraw/zinc/84/15/16/966841516.db2.gz LCMTZLRLANYXBB-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO FC(F)[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC001203983926 966842803 /nfs/dbraw/zinc/84/28/03/966842803.db2.gz SZUQASNNFJBYGS-QMMMGPOBSA-N 1 2 215.247 1.887 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC001203983926 966842805 /nfs/dbraw/zinc/84/28/05/966842805.db2.gz SZUQASNNFJBYGS-QMMMGPOBSA-N 1 2 215.247 1.887 20 0 BDADLO COC(=O)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000929220888 966853020 /nfs/dbraw/zinc/85/30/20/966853020.db2.gz ACFKCSPYLXXOQY-SNVBAGLBSA-N 1 2 249.314 1.423 20 0 BDADLO F[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204050930 966871288 /nfs/dbraw/zinc/87/12/88/966871288.db2.gz BEMXPLMATMBNCL-JTQLQIEISA-N 1 2 223.247 1.959 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204050930 966871294 /nfs/dbraw/zinc/87/12/94/966871294.db2.gz BEMXPLMATMBNCL-JTQLQIEISA-N 1 2 223.247 1.959 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)n1 ZINC001204066567 966875400 /nfs/dbraw/zinc/87/54/00/966875400.db2.gz ZIESVXGMEGCNQO-NEPJUHHUSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)n1 ZINC001204066567 966875406 /nfs/dbraw/zinc/87/54/06/966875406.db2.gz ZIESVXGMEGCNQO-NEPJUHHUSA-N 1 2 238.306 1.542 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccnc2)C1 ZINC001204075739 966883500 /nfs/dbraw/zinc/88/35/00/966883500.db2.gz SEIQYLNOJISCNT-UHFFFAOYSA-N 1 2 220.272 1.077 20 0 BDADLO O=C1C[N@H+](Cc2ccncc2)CC2(CCCC2)N1 ZINC001204081727 966885468 /nfs/dbraw/zinc/88/54/68/966885468.db2.gz ISIMQXXNNHCYNS-UHFFFAOYSA-N 1 2 245.326 1.326 20 0 BDADLO O=C1C[N@@H+](Cc2ccncc2)CC2(CCCC2)N1 ZINC001204081727 966885475 /nfs/dbraw/zinc/88/54/75/966885475.db2.gz ISIMQXXNNHCYNS-UHFFFAOYSA-N 1 2 245.326 1.326 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccncc3)[C@H]2C1 ZINC001204080656 966887216 /nfs/dbraw/zinc/88/72/16/966887216.db2.gz SYKCMDCJERHYIF-IHRRRGAJSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccncc3)[C@H]2C1 ZINC001204080656 966887223 /nfs/dbraw/zinc/88/72/23/966887223.db2.gz SYKCMDCJERHYIF-IHRRRGAJSA-N 1 2 248.326 1.053 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc(O)cc1 ZINC001204090782 966888732 /nfs/dbraw/zinc/88/87/32/966888732.db2.gz JXSZAQHBNDCLNB-SNVBAGLBSA-N 1 2 219.284 1.946 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc(O)cc1 ZINC001204090782 966888735 /nfs/dbraw/zinc/88/87/35/966888735.db2.gz JXSZAQHBNDCLNB-SNVBAGLBSA-N 1 2 219.284 1.946 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)n1 ZINC001204374617 966982619 /nfs/dbraw/zinc/98/26/19/966982619.db2.gz MZAQEEBSOSEICU-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)n1 ZINC001204374617 966982622 /nfs/dbraw/zinc/98/26/22/966982622.db2.gz MZAQEEBSOSEICU-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)o1 ZINC001204395423 966991773 /nfs/dbraw/zinc/99/17/73/966991773.db2.gz OWABSQRCODHAPN-QWRGUYRKSA-N 1 2 220.316 1.730 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)o1 ZINC001204395423 966991786 /nfs/dbraw/zinc/99/17/86/966991786.db2.gz OWABSQRCODHAPN-QWRGUYRKSA-N 1 2 220.316 1.730 20 0 BDADLO Cc1cc(C[NH+]2CC(N3CC(F)C3)C2)oc1C ZINC001204530433 967004695 /nfs/dbraw/zinc/00/46/95/967004695.db2.gz DLVPFMGTUMPBOU-UHFFFAOYSA-N 1 2 238.306 1.734 20 0 BDADLO Nc1[nH+]cccc1Nc1cn[nH]c(=O)c1Cl ZINC001212393765 967016688 /nfs/dbraw/zinc/01/66/88/967016688.db2.gz LFVDOBCRIMBJSR-UHFFFAOYSA-N 1 2 237.650 1.556 20 0 BDADLO Nc1ccc[nH+]c1Nc1cnc(N)c(F)c1 ZINC001249754251 967042383 /nfs/dbraw/zinc/04/23/83/967042383.db2.gz GTJUCEVCUWKMHC-UHFFFAOYSA-N 1 2 219.223 1.524 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001204548018 967050625 /nfs/dbraw/zinc/05/06/25/967050625.db2.gz WWLOCFWMPOOIKK-LLVKDONJSA-N 1 2 224.329 1.898 20 0 BDADLO c1csc(C[N@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001204548018 967050639 /nfs/dbraw/zinc/05/06/39/967050639.db2.gz WWLOCFWMPOOIKK-LLVKDONJSA-N 1 2 224.329 1.898 20 0 BDADLO Cc1cnn(-c2c[nH+]c(N)c(C)c2)c1N ZINC001249779396 967053608 /nfs/dbraw/zinc/05/36/08/967053608.db2.gz URVIJJMNUVZRIP-UHFFFAOYSA-N 1 2 203.249 1.049 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1ccncn1 ZINC001204583244 967076876 /nfs/dbraw/zinc/07/68/76/967076876.db2.gz HZTRRQSMXYQPCG-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccncn1 ZINC001204583244 967076883 /nfs/dbraw/zinc/07/68/83/967076883.db2.gz HZTRRQSMXYQPCG-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC[C@@H]1c1ncccn1 ZINC001204603351 967098521 /nfs/dbraw/zinc/09/85/21/967098521.db2.gz HPFOWLIAEUBKEE-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](O)C2)cnc1Cl ZINC001249917776 967159145 /nfs/dbraw/zinc/15/91/45/967159145.db2.gz VTSYWWTZALMBBV-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](O)C2)cnc1Cl ZINC001249917776 967159152 /nfs/dbraw/zinc/15/91/52/967159152.db2.gz VTSYWWTZALMBBV-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204800594 967174197 /nfs/dbraw/zinc/17/41/97/967174197.db2.gz YHUFCOODOHHWFL-LLVKDONJSA-N 1 2 243.310 1.974 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204800594 967174207 /nfs/dbraw/zinc/17/42/07/967174207.db2.gz YHUFCOODOHHWFL-LLVKDONJSA-N 1 2 243.310 1.974 20 0 BDADLO CCC1(C(=O)N2CC3(CC[N@@H+]3C)C2)CC1 ZINC001272855585 967197883 /nfs/dbraw/zinc/19/78/83/967197883.db2.gz GHZLPNBZKHRWEQ-UHFFFAOYSA-N 1 2 208.305 1.093 20 0 BDADLO CCC1(C(=O)N2CC3(CC[N@H+]3C)C2)CC1 ZINC001272855585 967197887 /nfs/dbraw/zinc/19/78/87/967197887.db2.gz GHZLPNBZKHRWEQ-UHFFFAOYSA-N 1 2 208.305 1.093 20 0 BDADLO CCOc1cc(C[NH+]2CC(C)(CO)C2)ccn1 ZINC001249997903 967249940 /nfs/dbraw/zinc/24/99/40/967249940.db2.gz DPQDJEUMCNYMST-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cn1 ZINC001204978333 967271104 /nfs/dbraw/zinc/27/11/04/967271104.db2.gz AAGNVQYXEUPCBF-MNOVXSKESA-N 1 2 229.274 1.692 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cn1 ZINC001204978333 967271110 /nfs/dbraw/zinc/27/11/10/967271110.db2.gz AAGNVQYXEUPCBF-MNOVXSKESA-N 1 2 229.274 1.692 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCc2ccncc2C1 ZINC001205137924 967383062 /nfs/dbraw/zinc/38/30/62/967383062.db2.gz GMIGBWJFAUCPLI-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1ccnc1C[N@H+]1CCc2ccncc2C1 ZINC001205137924 967383073 /nfs/dbraw/zinc/38/30/73/967383073.db2.gz GMIGBWJFAUCPLI-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO C[C@@]1(C[NH2+]CC(F)(F)CO)CCCCO1 ZINC001205276307 967472176 /nfs/dbraw/zinc/47/21/76/967472176.db2.gz GTPVGCPVUWCEQC-VIFPVBQESA-N 1 2 223.263 1.163 20 0 BDADLO COc1c(C)ccc(F)c1C[NH+]1CC(CO)C1 ZINC001250243510 967555400 /nfs/dbraw/zinc/55/54/00/967555400.db2.gz SJFDBMKULYCZJG-UHFFFAOYSA-N 1 2 239.290 1.567 20 0 BDADLO Cc1[nH]nc2ccc(CC[NH+]3CCOCC3)cc12 ZINC001250275014 967601398 /nfs/dbraw/zinc/60/13/98/967601398.db2.gz BOAREDCHIKFIFQ-UHFFFAOYSA-N 1 2 245.326 1.746 20 0 BDADLO c1cc(C2CC2)c(CC[NH+]2CCOCC2)cn1 ZINC001250276609 967609478 /nfs/dbraw/zinc/60/94/78/967609478.db2.gz KWSJLTIUTACDTF-UHFFFAOYSA-N 1 2 232.327 1.834 20 0 BDADLO c1nc(C2CC2)ncc1CC[NH+]1CCOCC1 ZINC001250276031 967612917 /nfs/dbraw/zinc/61/29/17/967612917.db2.gz WJPQPJGMAORCLM-UHFFFAOYSA-N 1 2 233.315 1.229 20 0 BDADLO COc1cncc(CC[NH+]2CCOCC2)c1C ZINC001250276759 967614062 /nfs/dbraw/zinc/61/40/62/967614062.db2.gz NQTJDQYFBCRCJM-UHFFFAOYSA-N 1 2 236.315 1.273 20 0 BDADLO Cc1[nH+]cccc1NC[C@@H]1CC(=O)N(C)C1 ZINC001168728730 967664983 /nfs/dbraw/zinc/66/49/83/967664983.db2.gz ZDOGGJMMUFUGEL-JTQLQIEISA-N 1 2 219.288 1.280 20 0 BDADLO CCO[C@H](C)n1cc(CCn2cc[nH+]c2)cn1 ZINC001250315283 967677148 /nfs/dbraw/zinc/67/71/48/967677148.db2.gz HXXNFPZJIWJOQO-LLVKDONJSA-N 1 2 234.303 1.877 20 0 BDADLO Oc1ccc(F)cc1CCn1cc[nH+]c1 ZINC001250314992 967682138 /nfs/dbraw/zinc/68/21/38/967682138.db2.gz ANYIWMVBUDYQQG-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO COc1ccc(CCn2cc[nH+]c2)c(CO)c1 ZINC001250318499 967688221 /nfs/dbraw/zinc/68/82/21/967688221.db2.gz GHSUHXNDQSIONT-UHFFFAOYSA-N 1 2 232.283 1.627 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC3(CC3)C2)cn1 ZINC001205556917 967689764 /nfs/dbraw/zinc/68/97/64/967689764.db2.gz ACNMPBXXJZTLIJ-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CCn1cc(C[N@H+]2CCOC3(CC3)C2)cn1 ZINC001205556917 967689774 /nfs/dbraw/zinc/68/97/74/967689774.db2.gz ACNMPBXXJZTLIJ-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CC(C)Oc1ncc(CCn2cc[nH+]c2)cn1 ZINC001250319259 967693647 /nfs/dbraw/zinc/69/36/47/967693647.db2.gz BQVVLGUQLHAONQ-UHFFFAOYSA-N 1 2 232.287 1.703 20 0 BDADLO COCOc1ccc(CCn2cc[nH+]c2)cn1 ZINC001250319332 967694051 /nfs/dbraw/zinc/69/40/51/967694051.db2.gz BWKNPTPHIYOQOP-UHFFFAOYSA-N 1 2 233.271 1.504 20 0 BDADLO Cc1nnc(Cc2c[nH+]cc(C)c2C)o1 ZINC001250337982 967727180 /nfs/dbraw/zinc/72/71/80/967727180.db2.gz NKYGTBVJPMBMSB-UHFFFAOYSA-N 1 2 203.245 1.981 20 0 BDADLO CCCn1c[nH+]cc1CN1CC(C)(OC)C1 ZINC001205706724 967800017 /nfs/dbraw/zinc/80/00/17/967800017.db2.gz SCBAFNWUXOOUAH-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1cc(Cc2ccc3[nH+]ccn3c2)n(C)n1 ZINC001250419361 967827138 /nfs/dbraw/zinc/82/71/38/967827138.db2.gz LATUSTQOCNEWGW-UHFFFAOYSA-N 1 2 226.283 1.967 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnccn1 ZINC001250442684 967867746 /nfs/dbraw/zinc/86/77/46/967867746.db2.gz LHFRRYOBZHNHBA-UHFFFAOYSA-N 1 2 214.272 1.913 20 0 BDADLO Cc1cnccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001205874142 967869534 /nfs/dbraw/zinc/86/95/34/967869534.db2.gz ZKGSXKVFOXGVFI-BETUJISGSA-N 1 2 246.310 1.037 20 0 BDADLO Cc1cnccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001205874142 967869535 /nfs/dbraw/zinc/86/95/35/967869535.db2.gz ZKGSXKVFOXGVFI-BETUJISGSA-N 1 2 246.310 1.037 20 0 BDADLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC000020341534 967913112 /nfs/dbraw/zinc/91/31/12/967913112.db2.gz PQUUKEWLNCPAHX-LBPRGKRZSA-N 1 2 224.348 1.753 20 0 BDADLO CCCC(=O)NC1C[NH+](CCOCC(C)C)C1 ZINC001494332619 968001753 /nfs/dbraw/zinc/00/17/53/968001753.db2.gz CWJNLGLYZDYNKU-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cccc(Nc2ccn(C)c(=O)c2)[nH+]1 ZINC001206071442 968040268 /nfs/dbraw/zinc/04/02/68/968040268.db2.gz RMSTWIOMISOGRK-UHFFFAOYSA-N 1 2 215.256 1.832 20 0 BDADLO CC(C)N(C)c1cc(N2CCOCC2)nc[nH+]1 ZINC001163619639 968083838 /nfs/dbraw/zinc/08/38/38/968083838.db2.gz YXIYKFPXVUGSBF-UHFFFAOYSA-N 1 2 236.319 1.158 20 0 BDADLO CC(C)N(C)c1cc(N2CCOCC2)[nH+]cn1 ZINC001163619639 968083851 /nfs/dbraw/zinc/08/38/51/968083851.db2.gz YXIYKFPXVUGSBF-UHFFFAOYSA-N 1 2 236.319 1.158 20 0 BDADLO CNc1ccc(Nc2cc(OC)on2)c[nH+]1 ZINC001203448984 968101189 /nfs/dbraw/zinc/10/11/89/968101189.db2.gz UAAYOKLCRWLVMX-UHFFFAOYSA-N 1 2 220.232 1.864 20 0 BDADLO CNc1ccc(-n2cnc(N)c3ccnc2-3)c[nH+]1 ZINC001203449013 968126807 /nfs/dbraw/zinc/12/68/07/968126807.db2.gz VSQJOUZYNHNRLQ-UHFFFAOYSA-N 1 2 240.270 1.391 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)CC(=O)N2 ZINC001206208797 968141086 /nfs/dbraw/zinc/14/10/86/968141086.db2.gz PEQDOCYCQOSWMC-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO CCN1OC[C@H]([N@@H+]2CC(C)(C)C2(C)C)C1=O ZINC001118496561 968162887 /nfs/dbraw/zinc/16/28/87/968162887.db2.gz YOKROKPAAVWIQO-VIFPVBQESA-N 1 2 226.320 1.269 20 0 BDADLO CCN1OC[C@H]([N@H+]2CC(C)(C)C2(C)C)C1=O ZINC001118496561 968162896 /nfs/dbraw/zinc/16/28/96/968162896.db2.gz YOKROKPAAVWIQO-VIFPVBQESA-N 1 2 226.320 1.269 20 0 BDADLO COc1cc[nH+]cc1NC[C@@H](O)C(F)(F)F ZINC001250960313 968223847 /nfs/dbraw/zinc/22/38/47/968223847.db2.gz DSSXADLGCDFWJC-MRVPVSSYSA-N 1 2 236.193 1.425 20 0 BDADLO O[C@@H](C[N@@H+]1Cc2ccncc2C1)CC1(O)CCC1 ZINC001118880142 968245282 /nfs/dbraw/zinc/24/52/82/968245282.db2.gz RMQNXHTXPMCANG-CYBMUJFWSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@@H](C[N@H+]1Cc2ccncc2C1)CC1(O)CCC1 ZINC001118880142 968245295 /nfs/dbraw/zinc/24/52/95/968245295.db2.gz RMQNXHTXPMCANG-CYBMUJFWSA-N 1 2 248.326 1.063 20 0 BDADLO C[C@@]1(CF)CC(F)(F)CN1c1cc(N)[nH+]cn1 ZINC001164562129 968250075 /nfs/dbraw/zinc/25/00/75/968250075.db2.gz CKFGQMJAQGQADB-VIFPVBQESA-N 1 2 246.236 1.632 20 0 BDADLO CC[N@H+](Cc1ccnn1C)Cc1cccnc1 ZINC001206349127 968254011 /nfs/dbraw/zinc/25/40/11/968254011.db2.gz VMJLWCSGLKFHQW-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1ccnn1C)Cc1cccnc1 ZINC001206349127 968254024 /nfs/dbraw/zinc/25/40/24/968254024.db2.gz VMJLWCSGLKFHQW-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO Cc1cc(Cl)c(C)c(N(C)C[C@H](O)CO)[nH+]1 ZINC001165533046 968288170 /nfs/dbraw/zinc/28/81/70/968288170.db2.gz OWMGZKPEDPJRHL-VIFPVBQESA-N 1 2 244.722 1.141 20 0 BDADLO C[C@H](CCO)Nc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001165868229 968298278 /nfs/dbraw/zinc/29/82/78/968298278.db2.gz SJSYBAWJZCPCNT-MRVPVSSYSA-N 1 2 243.738 1.984 20 0 BDADLO C[C@@H]1CCCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001251744494 968305635 /nfs/dbraw/zinc/30/56/35/968305635.db2.gz OJIWMNXODJJCIP-SNVBAGLBSA-N 1 2 236.319 1.157 20 0 BDADLO CC[C@@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001251805887 968339236 /nfs/dbraw/zinc/33/92/36/968339236.db2.gz AZTZTHKMWNEIHW-SNVBAGLBSA-N 1 2 239.290 1.412 20 0 BDADLO CC(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001084136943 968352758 /nfs/dbraw/zinc/35/27/58/968352758.db2.gz QKYHVWQCPTWHRQ-VXGBXAGGSA-N 1 2 249.314 1.036 20 0 BDADLO CC(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001084136943 968352765 /nfs/dbraw/zinc/35/27/65/968352765.db2.gz QKYHVWQCPTWHRQ-VXGBXAGGSA-N 1 2 249.314 1.036 20 0 BDADLO CCCC[C@@](CC)([NH2+]C[C@H](C)O)C(=O)OCC ZINC001251971837 968411579 /nfs/dbraw/zinc/41/15/79/968411579.db2.gz QXIMIBZWLKTLAR-WCQYABFASA-N 1 2 245.363 1.859 20 0 BDADLO COc1cccnc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001206611610 968419822 /nfs/dbraw/zinc/41/98/22/968419822.db2.gz XUKYGQGSLSYWMT-ZJUUUORDSA-N 1 2 224.279 1.880 20 0 BDADLO COc1cccnc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001206611610 968419825 /nfs/dbraw/zinc/41/98/25/968419825.db2.gz XUKYGQGSLSYWMT-ZJUUUORDSA-N 1 2 224.279 1.880 20 0 BDADLO C[C@@H](C(=O)N=S1(=O)CCCC1)n1cc[nH+]c1 ZINC001119631633 968445594 /nfs/dbraw/zinc/44/55/94/968445594.db2.gz AGSKNYSNKNFVFR-VIFPVBQESA-N 1 2 241.316 1.233 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCn2nccc2C1 ZINC001206787519 968474352 /nfs/dbraw/zinc/47/43/52/968474352.db2.gz LIDHIIOWOFIUHH-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cnccc1C[N@H+]1CCn2nccc2C1 ZINC001206787519 968474358 /nfs/dbraw/zinc/47/43/58/968474358.db2.gz LIDHIIOWOFIUHH-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)no1 ZINC001206816005 968488951 /nfs/dbraw/zinc/48/89/51/968488951.db2.gz ZGJPEYXIELMBLB-DGCLKSJQSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)no1 ZINC001206816005 968488954 /nfs/dbraw/zinc/48/89/54/968488954.db2.gz ZGJPEYXIELMBLB-DGCLKSJQSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001206847605 968494822 /nfs/dbraw/zinc/49/48/22/968494822.db2.gz PAMRPAUPTUVJGA-NWDGAFQWSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001206847605 968494826 /nfs/dbraw/zinc/49/48/26/968494826.db2.gz PAMRPAUPTUVJGA-NWDGAFQWSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCc3nn(C)cc3C2)c1 ZINC001206853455 968498288 /nfs/dbraw/zinc/49/82/88/968498288.db2.gz UPALAUHEUUXKKA-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccnc(C[N@H+]2CCc3nn(C)cc3C2)c1 ZINC001206853455 968498292 /nfs/dbraw/zinc/49/82/92/968498292.db2.gz UPALAUHEUUXKKA-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)ccn2)C[C@H]1C ZINC001206853674 968499440 /nfs/dbraw/zinc/49/94/40/968499440.db2.gz CUZOYWCOFBMRAV-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)ccn2)C[C@H]1C ZINC001206853674 968499445 /nfs/dbraw/zinc/49/94/45/968499445.db2.gz CUZOYWCOFBMRAV-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccnc(C[NH+]2CCN(CCF)CC2)c1 ZINC001206853544 968500781 /nfs/dbraw/zinc/50/07/81/968500781.db2.gz ZGDYJLRDUTXRAJ-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001206863031 968502812 /nfs/dbraw/zinc/50/28/12/968502812.db2.gz JAWSJFVYZVMKOZ-WDEREUQCSA-N 1 2 244.335 1.746 20 0 BDADLO Cc1ncsc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001206863031 968502818 /nfs/dbraw/zinc/50/28/18/968502818.db2.gz JAWSJFVYZVMKOZ-WDEREUQCSA-N 1 2 244.335 1.746 20 0 BDADLO CCCC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC001252088045 968508790 /nfs/dbraw/zinc/50/87/90/968508790.db2.gz JIOXZFHXEDRJRT-GFCCVEGCSA-N 1 2 223.320 1.250 20 0 BDADLO CCCC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC001252088045 968508798 /nfs/dbraw/zinc/50/87/98/968508798.db2.gz JIOXZFHXEDRJRT-GFCCVEGCSA-N 1 2 223.320 1.250 20 0 BDADLO c1cnc(C[N@@H+]2CCC[C@]3(CCO3)C2)nc1 ZINC001207015550 968555342 /nfs/dbraw/zinc/55/53/42/968555342.db2.gz BFYZGDABHPIZPT-LBPRGKRZSA-N 1 2 219.288 1.232 20 0 BDADLO c1cnc(C[N@H+]2CCC[C@]3(CCO3)C2)nc1 ZINC001207015550 968555347 /nfs/dbraw/zinc/55/53/47/968555347.db2.gz BFYZGDABHPIZPT-LBPRGKRZSA-N 1 2 219.288 1.232 20 0 BDADLO C[NH+](C)CC(=O)Nc1cc(F)cc(F)c1O ZINC000823676114 968555705 /nfs/dbraw/zinc/55/57/05/968555705.db2.gz BTVZORACPZTUMN-UHFFFAOYSA-N 1 2 230.214 1.171 20 0 BDADLO Fc1cccnc1C[NH+]1CC2(C1)CCOCC2 ZINC001207031924 968560601 /nfs/dbraw/zinc/56/06/01/968560601.db2.gz FRKDPCNAPYVULI-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cccc(CO)c2)s1 ZINC000698349330 968564679 /nfs/dbraw/zinc/56/46/79/968564679.db2.gz OOGIQYRTXYVDRV-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO CCCC[C@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252101086 968581634 /nfs/dbraw/zinc/58/16/34/968581634.db2.gz ZYWNQOZFSOPTJG-NSHDSACASA-N 1 2 238.331 1.892 20 0 BDADLO CCCC[C@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252101086 968581644 /nfs/dbraw/zinc/58/16/44/968581644.db2.gz ZYWNQOZFSOPTJG-NSHDSACASA-N 1 2 238.331 1.892 20 0 BDADLO CCN(Cc1[nH+]cc2ccccn21)CC(C)(C)O ZINC001207058359 968584151 /nfs/dbraw/zinc/58/41/51/968584151.db2.gz VQZQWFNSCZOLQY-UHFFFAOYSA-N 1 2 247.342 1.927 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](CCCC)C(=O)OC ZINC001252113528 968599597 /nfs/dbraw/zinc/59/95/97/968599597.db2.gz FKTDYOMTIYVPDD-VXGBXAGGSA-N 1 2 245.363 1.859 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H]2C(C)C)cn1 ZINC001207079561 968614570 /nfs/dbraw/zinc/61/45/70/968614570.db2.gz WHODLZRXIZFXRN-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H]2C(C)C)cn1 ZINC001207079561 968614571 /nfs/dbraw/zinc/61/45/71/968614571.db2.gz WHODLZRXIZFXRN-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO CCc1nccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001207083606 968619759 /nfs/dbraw/zinc/61/97/59/968619759.db2.gz DBHHLWADNAHOQG-DLOVCJGASA-N 1 2 235.306 1.829 20 0 BDADLO CCc1nccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001207083606 968619761 /nfs/dbraw/zinc/61/97/61/968619761.db2.gz DBHHLWADNAHOQG-DLOVCJGASA-N 1 2 235.306 1.829 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1ncc(F)cc1F ZINC001207094718 968626758 /nfs/dbraw/zinc/62/67/58/968626758.db2.gz YXWGGNJXVGDEED-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1ncc(F)cc1F ZINC001207094718 968626764 /nfs/dbraw/zinc/62/67/64/968626764.db2.gz YXWGGNJXVGDEED-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO Cc1ncccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001207147661 968656010 /nfs/dbraw/zinc/65/60/10/968656010.db2.gz LMSFYVLSPVAUOG-UHFFFAOYSA-N 1 2 235.306 1.228 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2cnn(C)c2C1 ZINC001207146790 968658052 /nfs/dbraw/zinc/65/80/52/968658052.db2.gz ILBVTIQBFHSLEC-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2cnn(C)c2C1 ZINC001207146790 968658060 /nfs/dbraw/zinc/65/80/60/968658060.db2.gz ILBVTIQBFHSLEC-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cncc(C)c2)C1 ZINC001207157122 968666103 /nfs/dbraw/zinc/66/61/03/968666103.db2.gz WNGJOFOGAAKMNL-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C1CCCC1 ZINC001085453535 968725590 /nfs/dbraw/zinc/72/55/90/968725590.db2.gz PLUFEMYZDUXXLC-GFCCVEGCSA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)C1CCCC1 ZINC001085453535 968725600 /nfs/dbraw/zinc/72/56/00/968725600.db2.gz PLUFEMYZDUXXLC-GFCCVEGCSA-N 1 2 242.338 1.679 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC001207456813 968779406 /nfs/dbraw/zinc/77/94/06/968779406.db2.gz XNRHSPVEQHVLRF-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC001207456813 968779414 /nfs/dbraw/zinc/77/94/14/968779414.db2.gz XNRHSPVEQHVLRF-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@H]1CCNC(=O)C1 ZINC001154933987 968781193 /nfs/dbraw/zinc/78/11/93/968781193.db2.gz NWYOKADACYEMOT-JTQLQIEISA-N 1 2 249.314 1.337 20 0 BDADLO Cc1cc[nH+]c(N)c1CN(CCO)CC(F)F ZINC000828760133 968810910 /nfs/dbraw/zinc/81/09/10/968810910.db2.gz PNNCLHHWDINCCE-UHFFFAOYSA-N 1 2 245.273 1.032 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207627676 968844930 /nfs/dbraw/zinc/84/49/30/968844930.db2.gz DADDICGVGDWONO-ZUWCUPBKSA-N 1 2 247.338 1.631 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207627676 968844934 /nfs/dbraw/zinc/84/49/34/968844934.db2.gz DADDICGVGDWONO-ZUWCUPBKSA-N 1 2 247.338 1.631 20 0 BDADLO Cc1ccc(Nc2cncc(N)n2)c(C)[nH+]1 ZINC000087725127 968855046 /nfs/dbraw/zinc/85/50/46/968855046.db2.gz ZDOPPNPRAIZWPU-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO O=C1C[N@H+](CC2(c3ccccc3)CC2)CCN1 ZINC001207830470 968892718 /nfs/dbraw/zinc/89/27/18/968892718.db2.gz FWKOZVUEVVEXFQ-UHFFFAOYSA-N 1 2 230.311 1.150 20 0 BDADLO O=C1C[N@@H+](CC2(c3ccccc3)CC2)CCN1 ZINC001207830470 968892720 /nfs/dbraw/zinc/89/27/20/968892720.db2.gz FWKOZVUEVVEXFQ-UHFFFAOYSA-N 1 2 230.311 1.150 20 0 BDADLO CN1CC[N@H+](CC2(c3ccccc3)CC2)CC1=O ZINC001207830434 968894018 /nfs/dbraw/zinc/89/40/18/968894018.db2.gz FSFALSNDRMPFJW-UHFFFAOYSA-N 1 2 244.338 1.492 20 0 BDADLO CN1CC[N@@H+](CC2(c3ccccc3)CC2)CC1=O ZINC001207830434 968894021 /nfs/dbraw/zinc/89/40/21/968894021.db2.gz FSFALSNDRMPFJW-UHFFFAOYSA-N 1 2 244.338 1.492 20 0 BDADLO Cc1nc(NC[C@H](C)NC(=O)CC2CC2)cc[nH+]1 ZINC001108228468 968896158 /nfs/dbraw/zinc/89/61/58/968896158.db2.gz DEHDTCFHOXAYGW-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC001207919744 968927453 /nfs/dbraw/zinc/92/74/53/968927453.db2.gz GPIUPKGTRMFOGQ-ONGXEEELSA-N 1 2 227.304 1.191 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC001207919744 968927461 /nfs/dbraw/zinc/92/74/61/968927461.db2.gz GPIUPKGTRMFOGQ-ONGXEEELSA-N 1 2 227.304 1.191 20 0 BDADLO Cc1cc[nH]c(=NNC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC000088423023 968968835 /nfs/dbraw/zinc/96/88/35/968968835.db2.gz RYUCDYPSSVWSKZ-JTQLQIEISA-N 1 2 245.286 1.291 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC001253080984 969077537 /nfs/dbraw/zinc/07/75/37/969077537.db2.gz BECHWYGVQOKTOR-NSHDSACASA-N 1 2 245.282 1.740 20 0 BDADLO C[N@H+]1CCO[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC001253080984 969077548 /nfs/dbraw/zinc/07/75/48/969077548.db2.gz BECHWYGVQOKTOR-NSHDSACASA-N 1 2 245.282 1.740 20 0 BDADLO CC1=C[C@H](C)[C@H](C[N@@H+]2CCOC(=O)C2)CC1 ZINC001208166923 969097790 /nfs/dbraw/zinc/09/77/90/969097790.db2.gz CVNURKUUZFYJKF-RYUDHWBXSA-N 1 2 223.316 1.838 20 0 BDADLO CC1=C[C@H](C)[C@H](C[N@H+]2CCOC(=O)C2)CC1 ZINC001208166923 969097796 /nfs/dbraw/zinc/09/77/96/969097796.db2.gz CVNURKUUZFYJKF-RYUDHWBXSA-N 1 2 223.316 1.838 20 0 BDADLO CCS(=O)(=O)Nc1c(C)[nH+]c2ccccn21 ZINC001253278076 969125821 /nfs/dbraw/zinc/12/58/21/969125821.db2.gz ZAWWLKZIBDBMBR-UHFFFAOYSA-N 1 2 239.300 1.404 20 0 BDADLO COc1cc2cc[nH+]c(N3CC(O)C3)c2cc1F ZINC000288830730 969141020 /nfs/dbraw/zinc/14/10/20/969141020.db2.gz IYOMRGXJIXPZQT-UHFFFAOYSA-N 1 2 248.257 1.563 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3cc[nH]c3)CC2)c1 ZINC000349654676 969160524 /nfs/dbraw/zinc/16/05/24/969160524.db2.gz NORCOTTVKOZAHP-UHFFFAOYSA-N 1 2 245.326 1.926 20 0 BDADLO c1c[nH]c(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC001242018118 969173694 /nfs/dbraw/zinc/17/36/94/969173694.db2.gz DIIXWUUTKGNXIZ-UHFFFAOYSA-N 1 2 243.310 1.909 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC001253448069 969176803 /nfs/dbraw/zinc/17/68/03/969176803.db2.gz HZEDJUIQQNKHAW-PWSUYJOCSA-N 1 2 243.347 1.216 20 0 BDADLO CC1(C)OCC(Nc2ccc(N)[nH+]c2)CO1 ZINC001168910069 969268331 /nfs/dbraw/zinc/26/83/31/969268331.db2.gz PJGZWOULIRNTRW-UHFFFAOYSA-N 1 2 223.276 1.227 20 0 BDADLO c1cncc(OC2C[NH+](C[C@@H]3CCC=CO3)C2)c1 ZINC001208880130 969270329 /nfs/dbraw/zinc/27/03/29/969270329.db2.gz IRVGOIODMUVGFO-ZDUSSCGKSA-N 1 2 246.310 1.837 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)[nH]1 ZINC001168982933 969300950 /nfs/dbraw/zinc/30/09/50/969300950.db2.gz UNRMXFDOMBHREL-YUMQZZPRSA-N 1 2 248.334 1.567 20 0 BDADLO COCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209048371 969333734 /nfs/dbraw/zinc/33/37/34/969333734.db2.gz GGESWHHQQHCXGN-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO COCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209048371 969333736 /nfs/dbraw/zinc/33/37/36/969333736.db2.gz GGESWHHQQHCXGN-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001253758463 969376744 /nfs/dbraw/zinc/37/67/44/969376744.db2.gz YTQIXTCDCHQVCI-ZJUUUORDSA-N 1 2 239.281 1.930 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)C)C1CCCC1 ZINC001253784119 969403514 /nfs/dbraw/zinc/40/35/14/969403514.db2.gz STMQINKDSIQAID-NEPJUHHUSA-N 1 2 243.347 1.325 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC001253787619 969407754 /nfs/dbraw/zinc/40/77/54/969407754.db2.gz DYPXMHGWMWIMIH-NWDGAFQWSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@H]1C[C@@H]1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001209410057 969478682 /nfs/dbraw/zinc/47/86/82/969478682.db2.gz ATNMMPDOOGCOAH-YIZRAAEISA-N 1 2 205.248 1.344 20 0 BDADLO C[C@H]1C[C@@H]1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC001209410057 969478688 /nfs/dbraw/zinc/47/86/88/969478688.db2.gz ATNMMPDOOGCOAH-YIZRAAEISA-N 1 2 205.248 1.344 20 0 BDADLO C1=[NH+]c2nccc(=C3NN=C(C4CC4)O3)c2=C1 ZINC001254087134 969486225 /nfs/dbraw/zinc/48/62/25/969486225.db2.gz AQXFRFRGAZIFLQ-SECBINFHSA-N 1 2 226.239 1.967 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1F ZINC001209546417 969533469 /nfs/dbraw/zinc/53/34/69/969533469.db2.gz ZHJDSUMIGNKQMS-APPZFPTMSA-N 1 2 200.282 1.933 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1F ZINC001209546417 969533474 /nfs/dbraw/zinc/53/34/74/969533474.db2.gz ZHJDSUMIGNKQMS-APPZFPTMSA-N 1 2 200.282 1.933 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001209557449 969541481 /nfs/dbraw/zinc/54/14/81/969541481.db2.gz UQYJNMRCOYEOPE-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001209557449 969541485 /nfs/dbraw/zinc/54/14/85/969541485.db2.gz UQYJNMRCOYEOPE-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO CCC[N@H+](CCOC)Cc1cn[nH]c1C ZINC001209555134 969543524 /nfs/dbraw/zinc/54/35/24/969543524.db2.gz USWMRNXUOIVEKO-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CCC[N@@H+](CCOC)Cc1cn[nH]c1C ZINC001209555134 969543527 /nfs/dbraw/zinc/54/35/27/969543527.db2.gz USWMRNXUOIVEKO-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)no1 ZINC001209559196 969545246 /nfs/dbraw/zinc/54/52/46/969545246.db2.gz CUGFJJAGRKIRHS-JQWIXIFHSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)no1 ZINC001209559196 969545250 /nfs/dbraw/zinc/54/52/50/969545250.db2.gz CUGFJJAGRKIRHS-JQWIXIFHSA-N 1 2 222.288 1.676 20 0 BDADLO COc1ccc[nH+]c1NCCCc1c[nH][nH]c1=O ZINC001156280113 969552936 /nfs/dbraw/zinc/55/29/36/969552936.db2.gz YIWJEVMEBLQELZ-VIFPVBQESA-N 1 2 248.286 1.014 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209575330 969558457 /nfs/dbraw/zinc/55/84/57/969558457.db2.gz BYKIJOHDWNMMIW-KGYLQXTDSA-N 1 2 248.326 1.849 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(C)[nH]1 ZINC001209575330 969558465 /nfs/dbraw/zinc/55/84/65/969558465.db2.gz BYKIJOHDWNMMIW-KGYLQXTDSA-N 1 2 248.326 1.849 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209574096 969558855 /nfs/dbraw/zinc/55/88/55/969558855.db2.gz FJYXIMYRSIPRHC-LBPRGKRZSA-N 1 2 236.315 1.851 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)[nH]1 ZINC001209574096 969558866 /nfs/dbraw/zinc/55/88/66/969558866.db2.gz FJYXIMYRSIPRHC-LBPRGKRZSA-N 1 2 236.315 1.851 20 0 BDADLO C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001254332517 969566737 /nfs/dbraw/zinc/56/67/37/969566737.db2.gz XJHMNPVEPWETAP-GHMZBOCLSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@@]1(F)CCCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001254332517 969566743 /nfs/dbraw/zinc/56/67/43/969566743.db2.gz XJHMNPVEPWETAP-GHMZBOCLSA-N 1 2 249.351 1.388 20 0 BDADLO Cn1cc(C[NH+]2CC3(CCO3)C2)c2cccnc21 ZINC001209751056 969602778 /nfs/dbraw/zinc/60/27/78/969602778.db2.gz YJBQHEUSFFJGDZ-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cnccn1 ZINC001209786573 969621213 /nfs/dbraw/zinc/62/12/13/969621213.db2.gz CJMUAHJZHOYUBC-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cnccn1 ZINC001209786573 969621219 /nfs/dbraw/zinc/62/12/19/969621219.db2.gz CJMUAHJZHOYUBC-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC[N@@H+](CC1=NOCC1)C[C@@H](O)C(F)(F)F ZINC001169538963 969738920 /nfs/dbraw/zinc/73/89/20/969738920.db2.gz MDVPEBWLTSLLHT-MRVPVSSYSA-N 1 2 240.225 1.008 20 0 BDADLO CC[N@H+](CC1=NOCC1)C[C@@H](O)C(F)(F)F ZINC001169538963 969738928 /nfs/dbraw/zinc/73/89/28/969738928.db2.gz MDVPEBWLTSLLHT-MRVPVSSYSA-N 1 2 240.225 1.008 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2c(c1)CCC2 ZINC001169653685 969799120 /nfs/dbraw/zinc/79/91/20/969799120.db2.gz JMBFMGXIWYQGGK-ZDUSSCGKSA-N 1 2 247.342 1.313 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cnc2c(c1)CCC2 ZINC001169653685 969799125 /nfs/dbraw/zinc/79/91/25/969799125.db2.gz JMBFMGXIWYQGGK-ZDUSSCGKSA-N 1 2 247.342 1.313 20 0 BDADLO CCc1cccc(NC[C@H]2COCC[N@@H+]2C)n1 ZINC001169656445 969802121 /nfs/dbraw/zinc/80/21/21/969802121.db2.gz MAVQNJOPLZDNHN-LBPRGKRZSA-N 1 2 235.331 1.387 20 0 BDADLO CCc1cccc(NC[C@H]2COCC[N@H+]2C)n1 ZINC001169656445 969802125 /nfs/dbraw/zinc/80/21/25/969802125.db2.gz MAVQNJOPLZDNHN-LBPRGKRZSA-N 1 2 235.331 1.387 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C2CC2)cn1 ZINC001169657479 969802993 /nfs/dbraw/zinc/80/29/93/969802993.db2.gz RXPVVYXPWSLVKA-ZDUSSCGKSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C2CC2)cn1 ZINC001169657479 969802997 /nfs/dbraw/zinc/80/29/97/969802997.db2.gz RXPVVYXPWSLVKA-ZDUSSCGKSA-N 1 2 247.342 1.702 20 0 BDADLO CCc1ccncc1NC[C@@H]1COCC[N@@H+]1C ZINC001169657481 969803711 /nfs/dbraw/zinc/80/37/11/969803711.db2.gz RXRNWZUZJWTBMI-GFCCVEGCSA-N 1 2 235.331 1.387 20 0 BDADLO CCc1ccncc1NC[C@@H]1COCC[N@H+]1C ZINC001169657481 969803713 /nfs/dbraw/zinc/80/37/13/969803713.db2.gz RXRNWZUZJWTBMI-GFCCVEGCSA-N 1 2 235.331 1.387 20 0 BDADLO C(C[NH+]1CCOCC1)O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001210208586 969832032 /nfs/dbraw/zinc/83/20/32/969832032.db2.gz ULNDAQYJGSHVBT-ZSBIGDGJSA-N 1 2 211.305 1.134 20 0 BDADLO O=C1C[C@H]2C[C@H]([N@@H+]3CCn4nccc4C3)C[C@H]2C1 ZINC001254963555 969842564 /nfs/dbraw/zinc/84/25/64/969842564.db2.gz JKGMUUPTLYYKAV-PJXYFTJBSA-N 1 2 245.326 1.456 20 0 BDADLO O=C1C[C@H]2C[C@H]([N@H+]3CCn4nccc4C3)C[C@H]2C1 ZINC001254963555 969842565 /nfs/dbraw/zinc/84/25/65/969842565.db2.gz JKGMUUPTLYYKAV-PJXYFTJBSA-N 1 2 245.326 1.456 20 0 BDADLO Cc1nn(C)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210283773 969851588 /nfs/dbraw/zinc/85/15/88/969851588.db2.gz BKMKMROEZPUFIN-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1[nH+]cc(Nc2ccsc2C(N)=O)cc1N ZINC001210287097 969855239 /nfs/dbraw/zinc/85/52/39/969855239.db2.gz LPDKLZOXZRDKEG-UHFFFAOYSA-N 1 2 248.311 1.876 20 0 BDADLO CCOC(=O)C1([NH2+]C2CCSCC2)CC1 ZINC001255080960 969874506 /nfs/dbraw/zinc/87/45/06/969874506.db2.gz KLXCNQMXRMXIIN-UHFFFAOYSA-N 1 2 229.345 1.567 20 0 BDADLO FC1(F)C[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169902302 969879942 /nfs/dbraw/zinc/87/99/42/969879942.db2.gz PTYUUACYXLQNFV-BDAKNGLRSA-N 1 2 233.258 1.669 20 0 BDADLO O=C1CCC[N@H+](C2CCSCC2)C[C@H]1F ZINC001255088374 969925647 /nfs/dbraw/zinc/92/56/47/969925647.db2.gz UAGLHZKFOZNMBC-SNVBAGLBSA-N 1 2 231.336 1.885 20 0 BDADLO O=C1CCC[N@@H+](C2CCSCC2)C[C@H]1F ZINC001255088374 969925652 /nfs/dbraw/zinc/92/56/52/969925652.db2.gz UAGLHZKFOZNMBC-SNVBAGLBSA-N 1 2 231.336 1.885 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCSC2)CCCC1 ZINC001255267779 970019751 /nfs/dbraw/zinc/01/97/51/970019751.db2.gz QVIHOQULQBBGSB-SNVBAGLBSA-N 1 2 243.372 1.957 20 0 BDADLO COc1cc2nc(C)nc(NC=[NH2+])c2cc1OC ZINC001157078997 970078295 /nfs/dbraw/zinc/07/82/95/970078295.db2.gz USGFWQBDFSANCB-UHFFFAOYSA-N 1 2 246.270 1.974 20 0 BDADLO Cc1ccc(C2([NH2+][C@H]3CCN(C)C3)COC2)cc1 ZINC001255416336 970139388 /nfs/dbraw/zinc/13/93/88/970139388.db2.gz ZGFWKUCRRLDYAT-AWEZNQCLSA-N 1 2 246.354 1.514 20 0 BDADLO Cc1ccccc1C1([NH2+][C@H]2CCN(C)C2)COC1 ZINC001255423087 970145772 /nfs/dbraw/zinc/14/57/72/970145772.db2.gz SCRYYMBADOJRQN-ZDUSSCGKSA-N 1 2 246.354 1.514 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1cncs1 ZINC000720581837 970158038 /nfs/dbraw/zinc/15/80/38/970158038.db2.gz FJPSORNJCINDRX-JGVFFNPUSA-N 1 2 237.332 1.683 20 0 BDADLO COC1CCC([N@@H+]2CCNCC(F)(F)C2)CC1 ZINC001255456789 970187894 /nfs/dbraw/zinc/18/78/94/970187894.db2.gz JEEYYJBGWFGCPZ-UHFFFAOYSA-N 1 2 248.317 1.485 20 0 BDADLO COC1CCC([N@H+]2CCNCC(F)(F)C2)CC1 ZINC001255456789 970187901 /nfs/dbraw/zinc/18/79/01/970187901.db2.gz JEEYYJBGWFGCPZ-UHFFFAOYSA-N 1 2 248.317 1.485 20 0 BDADLO COC1CCC(N2CC[NH2+]CC(F)(F)C2)CC1 ZINC001255456789 970187907 /nfs/dbraw/zinc/18/79/07/970187907.db2.gz JEEYYJBGWFGCPZ-UHFFFAOYSA-N 1 2 248.317 1.485 20 0 BDADLO Cn1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)nn1 ZINC001213086687 970270920 /nfs/dbraw/zinc/27/09/20/970270920.db2.gz VMAMDZDMHFTIRZ-UHFFFAOYSA-N 1 2 240.270 1.949 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ncc(C)nc1C ZINC001157460597 970332027 /nfs/dbraw/zinc/33/20/27/970332027.db2.gz XBZMUOYEMKPTNT-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001255576613 970374829 /nfs/dbraw/zinc/37/48/29/970374829.db2.gz IOXRVVIHFCGJDW-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001255576613 970374840 /nfs/dbraw/zinc/37/48/40/970374840.db2.gz IOXRVVIHFCGJDW-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)OCC1CC1 ZINC001213883635 970393545 /nfs/dbraw/zinc/39/35/45/970393545.db2.gz SSTALBQPYWUVCP-UHFFFAOYSA-N 1 2 249.314 1.925 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2CC(C)(C)O2)c1C(N)=O ZINC001157662466 970521444 /nfs/dbraw/zinc/52/14/44/970521444.db2.gz HNWPSQLKUPELKQ-SECBINFHSA-N 1 2 249.314 1.468 20 0 BDADLO C[N@@H+]1CCO[C@@H](CSc2cc(F)ncn2)C1 ZINC000400858093 970638713 /nfs/dbraw/zinc/63/87/13/970638713.db2.gz MAPZBCAOWBBYQD-MRVPVSSYSA-N 1 2 243.307 1.038 20 0 BDADLO C[N@H+]1CCO[C@@H](CSc2cc(F)ncn2)C1 ZINC000400858093 970638720 /nfs/dbraw/zinc/63/87/20/970638720.db2.gz MAPZBCAOWBBYQD-MRVPVSSYSA-N 1 2 243.307 1.038 20 0 BDADLO Cc1noc(CC[NH2+][C@H]2CCCc3[nH]ncc32)n1 ZINC000401529818 970701175 /nfs/dbraw/zinc/70/11/75/970701175.db2.gz AJAWPKOQXNETCQ-JTQLQIEISA-N 1 2 247.302 1.311 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC ZINC000401849548 970740432 /nfs/dbraw/zinc/74/04/32/970740432.db2.gz VZMJXNGFHDVDNP-VLEAKVRGSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1c(O)cccc1C[N@@H+](C)C1COC1 ZINC001144118722 972592093 /nfs/dbraw/zinc/59/20/93/972592093.db2.gz HLUJMSBPQDPSBM-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO Cc1c(O)cccc1C[N@H+](C)C1COC1 ZINC001144118722 972592101 /nfs/dbraw/zinc/59/21/01/972592101.db2.gz HLUJMSBPQDPSBM-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO Cn1c[nH+]cc1COC[C@@H]1CCCCO1 ZINC001222594315 972594157 /nfs/dbraw/zinc/59/41/57/972594157.db2.gz FKENZOZFLWKETI-NSHDSACASA-N 1 2 210.277 1.506 20 0 BDADLO O=C(C1CC(F)(F)C1)N1CCn2c[nH+]cc2C1 ZINC001327608786 972669898 /nfs/dbraw/zinc/66/98/98/972669898.db2.gz CVUNXJRMKAIJOR-UHFFFAOYSA-N 1 2 241.241 1.271 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OCc1ccco1 ZINC001223054228 972825240 /nfs/dbraw/zinc/82/52/40/972825240.db2.gz KVSXXJDJPCIGLM-NSHDSACASA-N 1 2 225.288 1.517 20 0 BDADLO CCOC(=O)c1ccccc1COC1C[NH+](C)C1 ZINC001223081667 972837574 /nfs/dbraw/zinc/83/75/74/972837574.db2.gz XNPXXLFTPDBDQQ-UHFFFAOYSA-N 1 2 249.310 1.694 20 0 BDADLO CC/C=C\CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328064817 972861830 /nfs/dbraw/zinc/86/18/30/972861830.db2.gz LAVFFMUSSSQXCR-UMCURTJPSA-N 1 2 207.277 1.527 20 0 BDADLO COCC[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144541387 972862982 /nfs/dbraw/zinc/86/29/82/972862982.db2.gz FABQMUKJOILAFG-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO COCC[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144541387 972862986 /nfs/dbraw/zinc/86/29/86/972862986.db2.gz FABQMUKJOILAFG-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO CN(Cc1cccnc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001328087390 972869290 /nfs/dbraw/zinc/86/92/90/972869290.db2.gz XTIZAQRRQNYESW-UHFFFAOYSA-N 1 2 230.271 1.006 20 0 BDADLO C[C@@H]1CC[C@H](O)CN1Cc1[nH+]cn2ccccc12 ZINC001144610891 972884576 /nfs/dbraw/zinc/88/45/76/972884576.db2.gz FMCKQCFDYSCLGO-NEPJUHHUSA-N 1 2 245.326 1.680 20 0 BDADLO C[NH+]1CC(O[C@@H]2OC(=O)c3ccccc32)C1 ZINC001223315664 972944626 /nfs/dbraw/zinc/94/46/26/972944626.db2.gz GNGFKFGMTUJDJT-GFCCVEGCSA-N 1 2 219.240 1.186 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@]23CCOC3)cn1 ZINC001171277591 973153412 /nfs/dbraw/zinc/15/34/12/973153412.db2.gz PPKBMXVTGIPMHQ-GFCCVEGCSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@]23CCOC3)cn1 ZINC001171277591 973153425 /nfs/dbraw/zinc/15/34/25/973153425.db2.gz PPKBMXVTGIPMHQ-GFCCVEGCSA-N 1 2 219.288 1.150 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](CC)OC)C1CC1 ZINC001328621048 973205199 /nfs/dbraw/zinc/20/51/99/973205199.db2.gz UPHJYWBPUHRJLM-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO C[NH+]1CC(NC(=O)CC2Cc3ccccc3C2)C1 ZINC001146804000 973273196 /nfs/dbraw/zinc/27/31/96/973273196.db2.gz LIRSICSNOJKYSU-UHFFFAOYSA-N 1 2 244.338 1.222 20 0 BDADLO CS[C@H](C)Cc1nnc(C[NH+](C)C)o1 ZINC001329075976 973466238 /nfs/dbraw/zinc/46/62/38/973466238.db2.gz YNWDHGSCFWKIQA-SSDOTTSWSA-N 1 2 215.322 1.425 20 0 BDADLO C[C@H](O)c1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC001329292743 973647399 /nfs/dbraw/zinc/64/73/99/973647399.db2.gz PNNAWRQPDJYBRG-JTQLQIEISA-N 1 2 244.298 1.352 20 0 BDADLO c1ccc(C[NH+]2CC(OC[C@H]3CCO3)C2)cc1 ZINC001224470936 973676353 /nfs/dbraw/zinc/67/63/53/973676353.db2.gz LCYSJXZQYRTBGF-CYBMUJFWSA-N 1 2 233.311 1.676 20 0 BDADLO CN(Cn1c[nH+]c(C(C)(C)C)c1)S(C)(=O)=O ZINC001329345910 973690974 /nfs/dbraw/zinc/69/09/74/973690974.db2.gz QKYYIYBFVPBDOV-UHFFFAOYSA-N 1 2 245.348 1.030 20 0 BDADLO CC(=O)NC[C@H](C)[N@H+](C)Cc1nc(C)oc1C ZINC001329368953 973706670 /nfs/dbraw/zinc/70/66/70/973706670.db2.gz ARMDHTITMZRETR-QMMMGPOBSA-N 1 2 239.319 1.248 20 0 BDADLO CC(=O)NC[C@H](C)[N@@H+](C)Cc1nc(C)oc1C ZINC001329368953 973706682 /nfs/dbraw/zinc/70/66/82/973706682.db2.gz ARMDHTITMZRETR-QMMMGPOBSA-N 1 2 239.319 1.248 20 0 BDADLO CC[N@H+](CCOC)Cc1cn(C)nc1Cl ZINC001329505255 973802820 /nfs/dbraw/zinc/80/28/20/973802820.db2.gz AZWYBEAEAZTSKG-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CC[N@@H+](CCOC)Cc1cn(C)nc1Cl ZINC001329505255 973802826 /nfs/dbraw/zinc/80/28/26/973802826.db2.gz AZWYBEAEAZTSKG-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC001329645354 973867111 /nfs/dbraw/zinc/86/71/11/973867111.db2.gz WVGWZEDUQVWIDZ-FVCCEPFGSA-N 1 2 247.342 1.997 20 0 BDADLO c1n[nH]c(C[NH2+][C@@H](Cc2ccccc2)C2CC2)n1 ZINC001329876217 973985853 /nfs/dbraw/zinc/98/58/53/973985853.db2.gz JCOKDFJQPIIZKE-ZDUSSCGKSA-N 1 2 242.326 1.916 20 0 BDADLO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ncn[nH]1 ZINC001329892092 974007842 /nfs/dbraw/zinc/00/78/42/974007842.db2.gz MUZFUVCWBCYBHM-ONGXEEELSA-N 1 2 208.309 1.863 20 0 BDADLO Cc1conc1C[S@](=O)Cc1c[nH+]cn1C ZINC001330055658 974086530 /nfs/dbraw/zinc/08/65/30/974086530.db2.gz NSCQXXCQQNWNGZ-MRXNPFEDSA-N 1 2 239.300 1.165 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@H]1COCCO1 ZINC001224964106 974105842 /nfs/dbraw/zinc/10/58/42/974105842.db2.gz TWBPEPLNUBBZHY-NSHDSACASA-N 1 2 245.319 1.602 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2C[C@H]2C(F)F)o1 ZINC001330098020 974107220 /nfs/dbraw/zinc/10/72/20/974107220.db2.gz GBBCHVCLLWNMQB-PHDIDXHHSA-N 1 2 217.219 1.500 20 0 BDADLO CC[C@H]([NH2+]C1CC2(CC2(F)F)C1)C(=O)OC ZINC001330124551 974117884 /nfs/dbraw/zinc/11/78/84/974117884.db2.gz XGTQVZRHCLQGPY-ZCUBBSJVSA-N 1 2 233.258 1.715 20 0 BDADLO Cc1nc(C[NH2+][C@H]2Cc3cccc(F)c3C2)no1 ZINC001171769831 974153721 /nfs/dbraw/zinc/15/37/21/974153721.db2.gz VFCOHCJGRGSIQO-JTQLQIEISA-N 1 2 247.273 1.774 20 0 BDADLO O=C1CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171793867 974186620 /nfs/dbraw/zinc/18/66/20/974186620.db2.gz NBLPUKIRQRYFMO-NSHDSACASA-N 1 2 233.286 1.958 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)c2ncnn21 ZINC001330301469 974222535 /nfs/dbraw/zinc/22/25/35/974222535.db2.gz LYLRGKCHJMGJGH-WPRPVWTQSA-N 1 2 247.277 1.608 20 0 BDADLO O=C1C[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)CCN1C1CC1 ZINC001172013665 974261074 /nfs/dbraw/zinc/26/10/74/974261074.db2.gz ZCRGZTCULAZTBV-HBNTYKKESA-N 1 2 244.285 1.132 20 0 BDADLO C[C@@H](C(=O)NC/C=C/C1CC1)n1cc[nH+]c1 ZINC001330461305 974268622 /nfs/dbraw/zinc/26/86/22/974268622.db2.gz LWESQNOMQOACOW-PBKGFPTLSA-N 1 2 219.288 1.527 20 0 BDADLO CCOc1ccc(OC2C[NH+](C)C2)cc1 ZINC001225252632 974312948 /nfs/dbraw/zinc/31/29/48/974312948.db2.gz LHKQCKOWWPKVQQ-UHFFFAOYSA-N 1 2 207.273 1.778 20 0 BDADLO c1cn2c(n1)[C@@H](Oc1cc[nH+]cc1)CC2 ZINC001225290087 974359794 /nfs/dbraw/zinc/35/97/94/974359794.db2.gz TUWJPUCIHZZQMJ-JTQLQIEISA-N 1 2 201.229 1.802 20 0 BDADLO CN(C)C(=O)OCC[N@H+](C)Cc1ccns1 ZINC001330682378 974411081 /nfs/dbraw/zinc/41/10/81/974411081.db2.gz FOLWCCVUENFSRM-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO CN(C)C(=O)OCC[N@@H+](C)Cc1ccns1 ZINC001330682378 974411090 /nfs/dbraw/zinc/41/10/90/974411090.db2.gz FOLWCCVUENFSRM-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO CCOC(=O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172218709 974446411 /nfs/dbraw/zinc/44/64/11/974446411.db2.gz BETXNGBFVAUMRL-FGWVZKOKSA-N 1 2 239.315 1.382 20 0 BDADLO COCc1cc(C[NH2+]C(C)(C)CF)no1 ZINC001330802891 974481683 /nfs/dbraw/zinc/48/16/83/974481683.db2.gz VLKSMNDGSHUBIX-UHFFFAOYSA-N 1 2 216.256 1.659 20 0 BDADLO C[N@H+](CC(F)F)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172195481 974484582 /nfs/dbraw/zinc/48/45/82/974484582.db2.gz ZWIFTFQKALQAOV-BDAKNGLRSA-N 1 2 232.274 1.337 20 0 BDADLO C[N@@H+](CC(F)F)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172195481 974484587 /nfs/dbraw/zinc/48/45/87/974484587.db2.gz ZWIFTFQKALQAOV-BDAKNGLRSA-N 1 2 232.274 1.337 20 0 BDADLO CC1(C)C[C@H]([NH2+][C@H]2CCSC2=O)CO1 ZINC001172271856 974486059 /nfs/dbraw/zinc/48/60/59/974486059.db2.gz QVBQVSPUNMSTSJ-YUMQZZPRSA-N 1 2 215.318 1.176 20 0 BDADLO CCCOC(=O)C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236144 974496340 /nfs/dbraw/zinc/49/63/40/974496340.db2.gz HEUPINJFMGXUKN-FGWVZKOKSA-N 1 2 225.288 1.015 20 0 BDADLO C=C/C=C\CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001330856661 974505789 /nfs/dbraw/zinc/50/57/89/974505789.db2.gz QWHKSEQRYZWTKM-ARJAWSKDSA-N 1 2 246.314 1.541 20 0 BDADLO Cc1cncc(O[C@H](C)C[NH+]2CCOCC2)c1 ZINC001225478519 974519069 /nfs/dbraw/zinc/51/90/69/974519069.db2.gz BPEJFHORTLCPJP-GFCCVEGCSA-N 1 2 236.315 1.490 20 0 BDADLO CC(C)[NH+]1CC(Oc2cnc(CF)nc2)C1 ZINC001225535626 974543931 /nfs/dbraw/zinc/54/39/31/974543931.db2.gz AZNDLCRZCCKVQB-UHFFFAOYSA-N 1 2 225.267 1.418 20 0 BDADLO C[C@@H]1CC[C@@H]([NH+]2CC(S(C)(=O)=O)C2)C[C@H]1C ZINC001172372024 974568608 /nfs/dbraw/zinc/56/86/08/974568608.db2.gz BRUBYSCEIVMVOZ-GMTAPVOTSA-N 1 2 245.388 1.540 20 0 BDADLO C[C@@H]1CC[C@H]([NH+]2CC(S(C)(=O)=O)C2)C[C@H]1C ZINC001172372025 974570099 /nfs/dbraw/zinc/57/00/99/974570099.db2.gz BRUBYSCEIVMVOZ-MXWKQRLJSA-N 1 2 245.388 1.540 20 0 BDADLO C[NH+]1CC(Oc2ccc3cc[nH]c3c2)C1 ZINC001225655588 974627824 /nfs/dbraw/zinc/62/78/24/974627824.db2.gz OBYYANYAYXXMNJ-UHFFFAOYSA-N 1 2 202.257 1.861 20 0 BDADLO C[C@@H]1CC[C@@H]([NH+]2CC(F)(CO)C2)C[C@@H]1C ZINC001172365005 974642549 /nfs/dbraw/zinc/64/25/49/974642549.db2.gz HTKVPLFFQWARDV-OUAUKWLOSA-N 1 2 215.312 1.827 20 0 BDADLO CCOCC[C@H](C)[NH2+]C1(C(=O)OC)CCC1 ZINC001172406327 974663853 /nfs/dbraw/zinc/66/38/53/974663853.db2.gz JUOJKLMXIRJSFE-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCc3nc[nH]c3C2)nn1 ZINC001331381236 974700737 /nfs/dbraw/zinc/70/07/37/974700737.db2.gz SGRHQSCVRYVJRV-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCc3nc[nH]c3C2)nn1 ZINC001331381236 974700740 /nfs/dbraw/zinc/70/07/40/974700740.db2.gz SGRHQSCVRYVJRV-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO Cc1cnc(NCC[N@H+]2CCOC[C@H]2C)o1 ZINC001331550792 974759342 /nfs/dbraw/zinc/75/93/42/974759342.db2.gz JLPCRHUPEBHCKT-SECBINFHSA-N 1 2 225.292 1.116 20 0 BDADLO Cc1cnc(NCC[N@@H+]2CCOC[C@H]2C)o1 ZINC001331550792 974759352 /nfs/dbraw/zinc/75/93/52/974759352.db2.gz JLPCRHUPEBHCKT-SECBINFHSA-N 1 2 225.292 1.116 20 0 BDADLO C[C@@H](c1nc(C2CSC2)no1)n1cc[nH+]c1 ZINC001331604868 974776207 /nfs/dbraw/zinc/77/62/07/974776207.db2.gz YBMYSPCAOKWVQX-ZETCQYMHSA-N 1 2 236.300 1.706 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC2CCC1CC2 ZINC001331929308 974871843 /nfs/dbraw/zinc/87/18/43/974871843.db2.gz PTYUXXSZSVWHLH-UHFFFAOYSA-N 1 2 219.288 1.353 20 0 BDADLO Cc1nc(OC2CC[NH+](C)CC2)c(F)c(=O)[nH]1 ZINC001226421189 974891234 /nfs/dbraw/zinc/89/12/34/974891234.db2.gz MNHDGOOAMQNPAD-UHFFFAOYSA-N 1 2 241.266 1.103 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@H]2CCOC2)c(C)[nH+]1 ZINC001332055439 974936086 /nfs/dbraw/zinc/93/60/86/974936086.db2.gz YBJYXWOTQLIOKW-GFCCVEGCSA-N 1 2 248.326 1.773 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCC(=O)C2)CC1 ZINC001172793466 974941571 /nfs/dbraw/zinc/94/15/71/974941571.db2.gz YZHHSNGQFWJNMT-QWRGUYRKSA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([N@H+]2CCC(=O)C2)CC1 ZINC001172793466 974941575 /nfs/dbraw/zinc/94/15/75/974941575.db2.gz YZHHSNGQFWJNMT-QWRGUYRKSA-N 1 2 239.315 1.383 20 0 BDADLO CC(C)[NH+]1CC(Oc2cc3c(nn2)CCCC3)C1 ZINC001226556339 974951491 /nfs/dbraw/zinc/95/14/91/974951491.db2.gz KLSKCWFJCIRVEE-UHFFFAOYSA-N 1 2 247.342 1.827 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172915103 974961667 /nfs/dbraw/zinc/96/16/67/974961667.db2.gz NUEDXPCSRWRZHW-NXEZZACHSA-N 1 2 227.304 1.239 20 0 BDADLO FC[C@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC001332152411 974978405 /nfs/dbraw/zinc/97/84/05/974978405.db2.gz UFEOEXWTDBLRBQ-MRVPVSSYSA-N 1 2 217.675 1.785 20 0 BDADLO FC[C@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC001332152411 974978412 /nfs/dbraw/zinc/97/84/12/974978412.db2.gz UFEOEXWTDBLRBQ-MRVPVSSYSA-N 1 2 217.675 1.785 20 0 BDADLO CCc1nc(N2CCC[C@H]2CC(=O)OC)cc[nH+]1 ZINC001332253252 975028784 /nfs/dbraw/zinc/02/87/84/975028784.db2.gz QFZABGAZQKQWJJ-JTQLQIEISA-N 1 2 249.314 1.571 20 0 BDADLO FC1(F)C[C@@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173123054 975032531 /nfs/dbraw/zinc/03/25/31/975032531.db2.gz YRDWNOSOESWKBW-RCOVLWMOSA-N 1 2 230.283 1.998 20 0 BDADLO OCC(F)(F)C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173127681 975034675 /nfs/dbraw/zinc/03/46/75/975034675.db2.gz IBBGJSHDMCMIOQ-SSDOTTSWSA-N 1 2 248.298 1.218 20 0 BDADLO CC[C@H]1CC[C@@H]([NH2+]C2(C(=O)OC)CC2)C1 ZINC001173260407 975109015 /nfs/dbraw/zinc/10/90/15/975109015.db2.gz LHKBDOWCWBWQCV-VHSXEESVSA-N 1 2 211.305 1.860 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C)cn2)ncn1 ZINC001332422577 975110484 /nfs/dbraw/zinc/11/04/84/975110484.db2.gz XKUFSRAXYZEKGV-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC001332702080 975262081 /nfs/dbraw/zinc/26/20/81/975262081.db2.gz YWICVDGXUVQVLI-SNVBAGLBSA-N 1 2 237.347 1.681 20 0 BDADLO CCc1onc(C)c1C[N@H+]1CCN(C)[C@H](C)C1 ZINC001332702080 975262084 /nfs/dbraw/zinc/26/20/84/975262084.db2.gz YWICVDGXUVQVLI-SNVBAGLBSA-N 1 2 237.347 1.681 20 0 BDADLO O=C(NC/C=C\C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001332851040 975294632 /nfs/dbraw/zinc/29/46/32/975294632.db2.gz UXFTWAJOZRKOJK-RFMOXSJOSA-N 1 2 246.314 1.073 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C=CCC1 ZINC001332865155 975297524 /nfs/dbraw/zinc/29/75/24/975297524.db2.gz CTATZEUIJHKCKN-WCQYABFASA-N 1 2 233.315 1.744 20 0 BDADLO C[NH+]1CC(Oc2ncnc3sccc32)C1 ZINC001227214926 975313702 /nfs/dbraw/zinc/31/37/02/975313702.db2.gz UNKRXUNETWQLQM-UHFFFAOYSA-N 1 2 221.285 1.384 20 0 BDADLO C[C@H]1CSCC[N@H+](Cc2nncs2)C1 ZINC001332979161 975353221 /nfs/dbraw/zinc/35/32/21/975353221.db2.gz BVMGWJQKEFQUCO-MRVPVSSYSA-N 1 2 229.374 1.723 20 0 BDADLO C[C@H]1CSCC[N@@H+](Cc2nncs2)C1 ZINC001332979161 975353230 /nfs/dbraw/zinc/35/32/30/975353230.db2.gz BVMGWJQKEFQUCO-MRVPVSSYSA-N 1 2 229.374 1.723 20 0 BDADLO COC[C@H](C)[C@H](C)c1nnc(C[NH+](C)C)o1 ZINC001333123248 975464654 /nfs/dbraw/zinc/46/46/54/975464654.db2.gz ZSBPYJLPOCWDAC-IUCAKERBSA-N 1 2 227.308 1.517 20 0 BDADLO CC[NH+]1CC(Oc2cc(=O)oc3ccccc23)C1 ZINC001227514403 975497349 /nfs/dbraw/zinc/49/73/49/975497349.db2.gz BMOCDBBAHWKFMR-UHFFFAOYSA-N 1 2 245.278 1.876 20 0 BDADLO CC[NH+]1CC(Oc2cccc(OC(C)=O)c2)C1 ZINC001227563667 975542148 /nfs/dbraw/zinc/54/21/48/975542148.db2.gz AJRDDJKJNQLFSB-UHFFFAOYSA-N 1 2 235.283 1.695 20 0 BDADLO Cc1cccc2c(OC3C[NH+](C)C3)cc(=O)[nH]c12 ZINC001227920095 975794689 /nfs/dbraw/zinc/79/46/89/975794689.db2.gz SWQZHFRSMALUIC-UHFFFAOYSA-N 1 2 244.294 1.942 20 0 BDADLO CCc1onc(C)c1CN1CCn2c[nH+]cc2C1 ZINC001333527476 975830850 /nfs/dbraw/zinc/83/08/50/975830850.db2.gz IEJPXTRRCSTUIW-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO Cn1cc[nH+]c1Cn1cc(C(=O)C(C)(C)C)nn1 ZINC001333533009 975834841 /nfs/dbraw/zinc/83/48/41/975834841.db2.gz KANXGRAURFKINS-UHFFFAOYSA-N 1 2 247.302 1.289 20 0 BDADLO CC[N@H+](Cc1cnon1)[C@@H]1CCCOC1 ZINC001333605061 975887674 /nfs/dbraw/zinc/88/76/74/975887674.db2.gz KGGTUIGSHNCTDR-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO CC[N@@H+](Cc1cnon1)[C@@H]1CCCOC1 ZINC001333605061 975887676 /nfs/dbraw/zinc/88/76/76/975887676.db2.gz KGGTUIGSHNCTDR-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO Cc1cc([NH+]=c2cc[nH]cc2)cc(=O)o1 ZINC001173881235 975916557 /nfs/dbraw/zinc/91/65/57/975916557.db2.gz IFAFNFDFCKRTFO-UHFFFAOYSA-N 1 2 202.213 1.509 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001333844051 976118264 /nfs/dbraw/zinc/11/82/64/976118264.db2.gz UIWZKQLYFZFFPQ-JTQLQIEISA-N 1 2 244.298 1.770 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001333844051 976118272 /nfs/dbraw/zinc/11/82/72/976118272.db2.gz UIWZKQLYFZFFPQ-JTQLQIEISA-N 1 2 244.298 1.770 20 0 BDADLO Cc1[nH]c2ccc(OC[C@H]3COCCO3)cc2[nH+]1 ZINC001228326322 976120543 /nfs/dbraw/zinc/12/05/43/976120543.db2.gz HBJMWUQNVQCHKE-LLVKDONJSA-N 1 2 248.282 1.666 20 0 BDADLO COC(=O)[C@@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228325741 976122162 /nfs/dbraw/zinc/12/21/62/976122162.db2.gz CJRVUNWQLLUEDY-SSDOTTSWSA-N 1 2 234.255 1.812 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC[C@H](O)C2CC2)[nH+]1 ZINC001333873472 976136813 /nfs/dbraw/zinc/13/68/13/976136813.db2.gz QGMBMRMOCDMPRS-NSHDSACASA-N 1 2 246.314 1.839 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc(F)nc2F)C1 ZINC001228534813 976303992 /nfs/dbraw/zinc/30/39/92/976303992.db2.gz PNXSRKGMPJTTTE-MRVPVSSYSA-N 1 2 244.241 1.069 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc(F)nc2F)C1 ZINC001228534813 976304009 /nfs/dbraw/zinc/30/40/09/976304009.db2.gz PNXSRKGMPJTTTE-MRVPVSSYSA-N 1 2 244.241 1.069 20 0 BDADLO C[C@@H](Nc1nccs1)[C@H]1C[N@H+](C)CCO1 ZINC001334171685 976349741 /nfs/dbraw/zinc/34/97/41/976349741.db2.gz MFFGVBPFXYNOQD-RKDXNWHRSA-N 1 2 227.333 1.274 20 0 BDADLO C[C@@H](Nc1nccs1)[C@H]1C[N@@H+](C)CCO1 ZINC001334171685 976349754 /nfs/dbraw/zinc/34/97/54/976349754.db2.gz MFFGVBPFXYNOQD-RKDXNWHRSA-N 1 2 227.333 1.274 20 0 BDADLO O[C@H]1CCN(c2ccc(Nc3cn[nH]c3)c[nH+]2)C1 ZINC001174295436 976475967 /nfs/dbraw/zinc/47/59/67/976475967.db2.gz BLKSMHBCYIKGLA-NSHDSACASA-N 1 2 245.286 1.119 20 0 BDADLO Cc1cccnc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC001334376371 976477120 /nfs/dbraw/zinc/47/71/20/976477120.db2.gz VZEXIMCZEWTVCC-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccnc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC001334376371 976477124 /nfs/dbraw/zinc/47/71/24/976477124.db2.gz VZEXIMCZEWTVCC-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO CN(C)c1ccc(Nc2ccc(=O)n(C)c2)c[nH+]1 ZINC001174353786 976512521 /nfs/dbraw/zinc/51/25/21/976512521.db2.gz IRTCTZJUQLBEFF-UHFFFAOYSA-N 1 2 244.298 1.590 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001334601317 976566970 /nfs/dbraw/zinc/56/69/70/976566970.db2.gz ALCIWWSURCCDTB-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1ccc(O)c(Nc2ccc(=O)n(C)c2)[nH+]1 ZINC001174355286 976593762 /nfs/dbraw/zinc/59/37/62/976593762.db2.gz QZJFUJLAQTUAAZ-UHFFFAOYSA-N 1 2 231.255 1.538 20 0 BDADLO Nc1ccc(C[NH2+]Cc2cc(C3CC3)no2)nn1 ZINC001334755163 976625536 /nfs/dbraw/zinc/62/55/36/976625536.db2.gz YPFXUDKQKACTEP-UHFFFAOYSA-N 1 2 245.286 1.214 20 0 BDADLO COc1cc[nH+]cc1Nc1cnn(C)c1C ZINC001174388088 976636210 /nfs/dbraw/zinc/63/62/10/976636210.db2.gz JZWHFJCDJMZANG-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCN(C)C(=O)[C@@H]2C)c1 ZINC001334807236 976702072 /nfs/dbraw/zinc/70/20/72/976702072.db2.gz ATENKXVVIFENFF-LBPRGKRZSA-N 1 2 247.342 1.361 20 0 BDADLO C[C@@H]1C[NH+](CCOC2CC2)C[C@@H](C)S1=O ZINC001334871064 976760881 /nfs/dbraw/zinc/76/08/81/976760881.db2.gz PADPHOVJZXFMQL-NXEZZACHSA-N 1 2 231.361 1.007 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000259775247 976812253 /nfs/dbraw/zinc/81/22/53/976812253.db2.gz SDXQLVCAKWKJTP-OUAUKWLOSA-N 1 2 237.324 1.914 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000259775247 976812256 /nfs/dbraw/zinc/81/22/56/976812256.db2.gz SDXQLVCAKWKJTP-OUAUKWLOSA-N 1 2 237.324 1.914 20 0 BDADLO O=C1OCC[C@H]1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229952198 977037606 /nfs/dbraw/zinc/03/76/06/977037606.db2.gz ZGAPUVGTCDJIKS-GFCCVEGCSA-N 1 2 244.250 1.567 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3cccnc32)C1 ZINC001230329721 977182629 /nfs/dbraw/zinc/18/26/29/977182629.db2.gz QSELHXRCPAFHCQ-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO C[C@H](C(=O)N(C)[C@H]1CCSC1)n1cc[nH+]c1 ZINC001335805403 977298621 /nfs/dbraw/zinc/29/86/21/977298621.db2.gz YQBOLZUOOPLHIQ-ZJUUUORDSA-N 1 2 239.344 1.408 20 0 BDADLO Nc1cc(NC(=O)C[C@@H]([NH3+])C(F)F)ccc1F ZINC001335847097 977327508 /nfs/dbraw/zinc/32/75/08/977327508.db2.gz UKWQXFFSUVJUFP-MRVPVSSYSA-N 1 2 247.220 1.329 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)CC(C)(C)C ZINC001230786565 977338298 /nfs/dbraw/zinc/33/82/98/977338298.db2.gz WJGRIBJQLPTHLW-LLVKDONJSA-N 1 2 244.354 1.925 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)CC(C)(C)C ZINC001230786565 977338307 /nfs/dbraw/zinc/33/83/07/977338307.db2.gz WJGRIBJQLPTHLW-LLVKDONJSA-N 1 2 244.354 1.925 20 0 BDADLO CN(C)c1ccc(Nc2ccn(C)n2)c[nH+]1 ZINC001175338094 977384362 /nfs/dbraw/zinc/38/43/62/977384362.db2.gz MTQBTTBVVWTQFG-UHFFFAOYSA-N 1 2 217.276 1.625 20 0 BDADLO C[C@@H](C(=O)N[C@]12CCC[C@H]1OCC2)n1cc[nH+]c1 ZINC001175436786 977428294 /nfs/dbraw/zinc/42/82/94/977428294.db2.gz DNGWAAGAXSNTSA-LOWVWBTDSA-N 1 2 249.314 1.272 20 0 BDADLO C[NH+]1CC(Oc2ccc(-c3ncc[nH]3)cc2)C1 ZINC001231083078 977471547 /nfs/dbraw/zinc/47/15/47/977471547.db2.gz CAJYPLSJNDLFHQ-UHFFFAOYSA-N 1 2 229.283 1.770 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(Cl)ncnc3c2)C1 ZINC001231113037 977489299 /nfs/dbraw/zinc/48/92/99/977489299.db2.gz SNMHTCOTFGAHQU-UHFFFAOYSA-N 1 2 249.701 1.976 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccsn1 ZINC001175522624 977504353 /nfs/dbraw/zinc/50/43/53/977504353.db2.gz KMQRROSNHWADBX-UHFFFAOYSA-N 1 2 208.246 1.047 20 0 BDADLO Cc1c(F)ccc(C[NH+]2CC(C(N)=O)C2)c1F ZINC001231477753 977603104 /nfs/dbraw/zinc/60/31/04/977603104.db2.gz QFVPHSXUXOJIFQ-UHFFFAOYSA-N 1 2 240.253 1.190 20 0 BDADLO c1[nH]c2cccnc2c1C[NH+]1CC2(CCO2)C1 ZINC001231491090 977613194 /nfs/dbraw/zinc/61/31/94/977613194.db2.gz DNYLSUHNKNJMIO-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO N#CN1CC[NH+](Cc2c[nH]c3cccnc23)CC1 ZINC001231492834 977615325 /nfs/dbraw/zinc/61/53/25/977615325.db2.gz OIZNMFCCWNSBOP-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO CCOC1C[NH+](Cc2c[nH]c3cnccc23)C1 ZINC001231513810 977617485 /nfs/dbraw/zinc/61/74/85/977617485.db2.gz AYTDWTZMDUZFMO-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO O=C1CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001231514260 977624536 /nfs/dbraw/zinc/62/45/36/977624536.db2.gz OXJCOZUOIAVGLQ-UHFFFAOYSA-N 1 2 229.283 1.728 20 0 BDADLO Cc1[nH]nc2ccc(Nc3c[nH+]ncc3N)cc12 ZINC001175693788 977625105 /nfs/dbraw/zinc/62/51/05/977625105.db2.gz KFXOXGCSPGYVOT-UHFFFAOYSA-N 1 2 240.270 1.987 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1nc(C)ccc1O ZINC001231669580 977684379 /nfs/dbraw/zinc/68/43/79/977684379.db2.gz JXAAINHLMSLCLN-UHFFFAOYSA-N 1 2 208.261 1.116 20 0 BDADLO CCCOc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231863522 977771875 /nfs/dbraw/zinc/77/18/75/977771875.db2.gz BCSROJZOIUZMCJ-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO CCCOc1ncccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231863522 977771881 /nfs/dbraw/zinc/77/18/81/977771881.db2.gz BCSROJZOIUZMCJ-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO OCC1C[NH+](Cc2ccnc(C(F)F)c2)C1 ZINC001231888861 977787249 /nfs/dbraw/zinc/78/72/49/977787249.db2.gz JPRCUDRLSYQAEF-UHFFFAOYSA-N 1 2 228.242 1.443 20 0 BDADLO CCc1ccc(N2C[C@H]3C[C@@]3(CO)C2)[nH+]c1 ZINC001336589301 977800930 /nfs/dbraw/zinc/80/09/30/977800930.db2.gz AKKIGRPEBXUYCJ-YPMHNXCESA-N 1 2 218.300 1.463 20 0 BDADLO Nc1cc(N2CCC([C@@H]3CCCO3)CC2)[nH+]cn1 ZINC001336593656 977803194 /nfs/dbraw/zinc/80/31/94/977803194.db2.gz YNTPVVFMIYZDTA-NSHDSACASA-N 1 2 248.330 1.454 20 0 BDADLO COc1cc[nH+]c(CN2CC(C)(F)C2)c1 ZINC001231966968 977813349 /nfs/dbraw/zinc/81/33/49/977813349.db2.gz OTWHTZAVGOBSMR-UHFFFAOYSA-N 1 2 210.252 1.634 20 0 BDADLO CC[N@H+](Cc1cnc(F)cc1C)C1COC1 ZINC001231983177 977820974 /nfs/dbraw/zinc/82/09/74/977820974.db2.gz QLZJOORJZHFLEW-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO CC[N@@H+](Cc1cnc(F)cc1C)C1COC1 ZINC001231983177 977820978 /nfs/dbraw/zinc/82/09/78/977820978.db2.gz QLZJOORJZHFLEW-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2cc(C)nc(C)c2)C1 ZINC001232000257 977832002 /nfs/dbraw/zinc/83/20/02/977832002.db2.gz HHFPACYGLHUATE-UHFFFAOYSA-N 1 2 247.342 1.361 20 0 BDADLO CCN(Cc1cc(C)nc(C)c1)C1C[NH+](C)C1 ZINC001232003510 977833981 /nfs/dbraw/zinc/83/39/81/977833981.db2.gz RAHVQXHRJVZSFM-UHFFFAOYSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccc(=O)[nH]n2)cn1 ZINC001232029303 977859584 /nfs/dbraw/zinc/85/95/84/977859584.db2.gz XGANRAVALODMHI-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccc(=O)[nH]n2)cn1 ZINC001232029303 977859585 /nfs/dbraw/zinc/85/95/85/977859585.db2.gz XGANRAVALODMHI-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO CCN(Cc1cc2ncccc2[nH]1)C1C[NH+](C)C1 ZINC001232066961 977878304 /nfs/dbraw/zinc/87/83/04/977878304.db2.gz HIQSFXZNBHMURN-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO Nc1cn(-c2[nH]cc[nH+]2)c2nccc-2c1Cl ZINC001176082077 977879802 /nfs/dbraw/zinc/87/98/02/977879802.db2.gz RHKFMWSWWVLGDU-UHFFFAOYSA-N 1 2 233.662 1.936 20 0 BDADLO CN(C)c1nc(Nc2[nH]cc[nH+]2)c(N=O)c(=O)[nH]1 ZINC001176082037 977880481 /nfs/dbraw/zinc/88/04/81/977880481.db2.gz PYQWNPMXPBIHAB-UHFFFAOYSA-N 1 2 249.234 1.113 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc3ccncc3[nH]2)C[C@@H]1F ZINC001232091021 977890321 /nfs/dbraw/zinc/89/03/21/977890321.db2.gz SDACCNXAVJOTOK-WCQYABFASA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc3ccncc3[nH]2)C[C@@H]1F ZINC001232091021 977890322 /nfs/dbraw/zinc/89/03/22/977890322.db2.gz SDACCNXAVJOTOK-WCQYABFASA-N 1 2 249.289 1.732 20 0 BDADLO C[C@]12CN(c3cc(N)nc[nH+]3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001336735510 977894682 /nfs/dbraw/zinc/89/46/82/977894682.db2.gz CJJZOLGTTQDTMK-BBGACYKPSA-N 1 2 244.342 1.931 20 0 BDADLO COc1cc[nH+]cc1Nc1ncc(F)cc1N ZINC001176117970 977943668 /nfs/dbraw/zinc/94/36/68/977943668.db2.gz FKKJEHIJTYGESO-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO COc1cc[nH+]cc1-n1nc2cccnc2c1N ZINC001176117185 977946440 /nfs/dbraw/zinc/94/64/40/977946440.db2.gz VELVHPIQEMBPIA-UHFFFAOYSA-N 1 2 241.254 1.406 20 0 BDADLO COc1cnc(Nc2c[nH+]ccc2OC)cn1 ZINC001176116896 977947800 /nfs/dbraw/zinc/94/78/00/977947800.db2.gz PCZKJEOTJMDRBH-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO COc1cc[nH+]cc1Nc1ccn(C)n1 ZINC001176119182 977950133 /nfs/dbraw/zinc/95/01/33/977950133.db2.gz MYEQCHKPRXCFCM-UHFFFAOYSA-N 1 2 204.233 1.567 20 0 BDADLO COc1cc[nH+]cc1-n1nc2c(c1N)CCCC2 ZINC001176118898 977950375 /nfs/dbraw/zinc/95/03/75/977950375.db2.gz QNMSCJWQSHODII-UHFFFAOYSA-N 1 2 244.298 1.737 20 0 BDADLO COCn1cc(Nc2c[nH+]ccc2OC)cn1 ZINC001176119470 977950441 /nfs/dbraw/zinc/95/04/41/977950441.db2.gz UFMXANPOEFZPCU-UHFFFAOYSA-N 1 2 234.259 1.634 20 0 BDADLO COc1cc[nH+]cc1Nc1cn(C)cn1 ZINC001176119516 977951133 /nfs/dbraw/zinc/95/11/33/977951133.db2.gz RHOIDAXCNIWOPM-UHFFFAOYSA-N 1 2 204.233 1.567 20 0 BDADLO COCc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001232299665 977996171 /nfs/dbraw/zinc/99/61/71/977996171.db2.gz CGJMQNVPPKJWOJ-UHFFFAOYSA-N 1 2 233.311 1.808 20 0 BDADLO COCc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001232299665 977996183 /nfs/dbraw/zinc/99/61/83/977996183.db2.gz CGJMQNVPPKJWOJ-UHFFFAOYSA-N 1 2 233.311 1.808 20 0 BDADLO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1 ZINC001232313231 978003140 /nfs/dbraw/zinc/00/31/40/978003140.db2.gz SFQLAVFMNRLZDL-STQMWFEESA-N 1 2 248.326 1.762 20 0 BDADLO CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1 ZINC001232313231 978003144 /nfs/dbraw/zinc/00/31/44/978003144.db2.gz SFQLAVFMNRLZDL-STQMWFEESA-N 1 2 248.326 1.762 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001232354896 978034920 /nfs/dbraw/zinc/03/49/20/978034920.db2.gz FTHSCWNQEMZJGR-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO COc1cc(C)c(C[N@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001232354896 978034931 /nfs/dbraw/zinc/03/49/31/978034931.db2.gz FTHSCWNQEMZJGR-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(N)nc2)CCC1=O ZINC001232364090 978037651 /nfs/dbraw/zinc/03/76/51/978037651.db2.gz ICBMJYYIMZAZFB-SNVBAGLBSA-N 1 2 233.315 1.465 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)CCC1=O ZINC001232364090 978037665 /nfs/dbraw/zinc/03/76/65/978037665.db2.gz ICBMJYYIMZAZFB-SNVBAGLBSA-N 1 2 233.315 1.465 20 0 BDADLO Nc1ccc(C[N@@H+]2CCCC(=O)CC2)cn1 ZINC001232366432 978040622 /nfs/dbraw/zinc/04/06/22/978040622.db2.gz SLKIROHPBVXAHN-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO Nc1ccc(C[N@H+]2CCCC(=O)CC2)cn1 ZINC001232366432 978040630 /nfs/dbraw/zinc/04/06/30/978040630.db2.gz SLKIROHPBVXAHN-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232431567 978070409 /nfs/dbraw/zinc/07/04/09/978070409.db2.gz LQZHKJWXYRCBOS-CQSZACIVSA-N 1 2 247.342 1.842 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232431567 978070417 /nfs/dbraw/zinc/07/04/17/978070417.db2.gz LQZHKJWXYRCBOS-CQSZACIVSA-N 1 2 247.342 1.842 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)[nH]1 ZINC001232460499 978096387 /nfs/dbraw/zinc/09/63/87/978096387.db2.gz SCJJKTJXGJMAFN-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)[nH]1 ZINC001232460499 978096398 /nfs/dbraw/zinc/09/63/98/978096398.db2.gz SCJJKTJXGJMAFN-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c[nH]1 ZINC001232460499 978096411 /nfs/dbraw/zinc/09/64/11/978096411.db2.gz SCJJKTJXGJMAFN-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c[nH]1 ZINC001232460499 978096420 /nfs/dbraw/zinc/09/64/20/978096420.db2.gz SCJJKTJXGJMAFN-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]c(CN2CC[C@](O)(C(F)(F)F)C2)c[nH+]1 ZINC001232460394 978101760 /nfs/dbraw/zinc/10/17/60/978101760.db2.gz PHIIEASHRSFOBP-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO Cc1[nH]cc(CN2CC[C@](O)(C(F)(F)F)C2)[nH+]1 ZINC001232460394 978101781 /nfs/dbraw/zinc/10/17/81/978101781.db2.gz PHIIEASHRSFOBP-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO Cc1noc([C@H]2CC[N@@H+](Cc3c[nH]c(C)n3)C2)n1 ZINC001232465159 978108947 /nfs/dbraw/zinc/10/89/47/978108947.db2.gz WRSHIZWYLMOJSU-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1noc([C@H]2CC[N@H+](Cc3c[nH]c(C)n3)C2)n1 ZINC001232465159 978108957 /nfs/dbraw/zinc/10/89/57/978108957.db2.gz WRSHIZWYLMOJSU-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1noc([C@H]2CC[N@@H+](Cc3cnc(C)[nH]3)C2)n1 ZINC001232465159 978108963 /nfs/dbraw/zinc/10/89/63/978108963.db2.gz WRSHIZWYLMOJSU-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1noc([C@H]2CC[N@H+](Cc3cnc(C)[nH]3)C2)n1 ZINC001232465159 978108975 /nfs/dbraw/zinc/10/89/75/978108975.db2.gz WRSHIZWYLMOJSU-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO CCN(Cc1c[nH+]c(C)[nH]1)[C@@H](C)C(=O)OC ZINC001232465633 978111013 /nfs/dbraw/zinc/11/10/13/978111013.db2.gz AFRIYZAOXINNLP-QMMMGPOBSA-N 1 2 225.292 1.102 20 0 BDADLO CCN(Cc1c[nH]c(C)[nH+]1)[C@@H](C)C(=O)OC ZINC001232465633 978111024 /nfs/dbraw/zinc/11/10/24/978111024.db2.gz AFRIYZAOXINNLP-QMMMGPOBSA-N 1 2 225.292 1.102 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc2nonc2c1 ZINC001176688528 978152424 /nfs/dbraw/zinc/15/24/24/978152424.db2.gz HAMXNRZXWFNRQP-UHFFFAOYSA-N 1 2 243.226 1.765 20 0 BDADLO COc1cncc(OC)c1C[NH+]1CC=CC1 ZINC001232499662 978153541 /nfs/dbraw/zinc/15/35/41/978153541.db2.gz CRRPPVZMLYYEAQ-UHFFFAOYSA-N 1 2 220.272 1.471 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc(F)ccc2N)C1 ZINC001232509643 978156910 /nfs/dbraw/zinc/15/69/10/978156910.db2.gz NXZDBULHTPXMOH-UHFFFAOYSA-N 1 2 238.262 1.013 20 0 BDADLO Cc1[nH]c([C@H]2CCCN2C(=O)C(F)F)[nH+]c1C ZINC001595990195 978159651 /nfs/dbraw/zinc/15/96/51/978159651.db2.gz UKJGNRALIGDMOW-MRVPVSSYSA-N 1 2 243.257 1.955 20 0 BDADLO Cn1cc(Nc2ccc[nH+]c2N2CCCC2)nn1 ZINC001176749741 978171386 /nfs/dbraw/zinc/17/13/86/978171386.db2.gz IQWCCFNIOMYPMG-UHFFFAOYSA-N 1 2 244.302 1.554 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1nnnn1C ZINC001176788371 978176753 /nfs/dbraw/zinc/17/67/53/978176753.db2.gz VMIOFUWILNJICD-DTWKUNHWSA-N 1 2 249.293 1.761 20 0 BDADLO CC[C@]1(C)CN(c2cc(N)nc[nH+]2)CCO1 ZINC001337131744 978177961 /nfs/dbraw/zinc/17/79/61/978177961.db2.gz NKTMGNMGFITEKO-LLVKDONJSA-N 1 2 222.292 1.064 20 0 BDADLO CCc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001176827835 978190883 /nfs/dbraw/zinc/19/08/83/978190883.db2.gz SMQAHUUVVGHNDL-UHFFFAOYSA-N 1 2 230.271 1.548 20 0 BDADLO CC[C@H](F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001337199778 978208755 /nfs/dbraw/zinc/20/87/55/978208755.db2.gz ZIESXTORAJITJB-JTQLQIEISA-N 1 2 227.283 1.480 20 0 BDADLO COC1(C)C[NH+](Cc2cncc3cnccc32)C1 ZINC001232649389 978209947 /nfs/dbraw/zinc/20/99/47/978209947.db2.gz KGYJSINFWDYRGK-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO C[N@H+](Cc1cncc2cnccc21)C1COC1 ZINC001232652073 978213158 /nfs/dbraw/zinc/21/31/58/978213158.db2.gz KVRVHRQBINABCC-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO C[N@@H+](Cc1cncc2cnccc21)C1COC1 ZINC001232652073 978213169 /nfs/dbraw/zinc/21/31/69/978213169.db2.gz KVRVHRQBINABCC-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccncc1F ZINC001176883037 978223317 /nfs/dbraw/zinc/22/33/17/978223317.db2.gz BJHKUOFYNZHKKX-UHFFFAOYSA-N 1 2 248.261 1.124 20 0 BDADLO Cc1c[nH]c(CCNC(=O)CCn2cccc2)[nH+]1 ZINC001176939846 978253779 /nfs/dbraw/zinc/25/37/79/978253779.db2.gz HSGOWDCSGZRDAC-UHFFFAOYSA-N 1 2 246.314 1.269 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001337281379 978260628 /nfs/dbraw/zinc/26/06/28/978260628.db2.gz JQAQPBBRGJHWLN-WCBMZHEXSA-N 1 2 225.267 1.062 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001337281376 978261646 /nfs/dbraw/zinc/26/16/46/978261646.db2.gz JQAQPBBRGJHWLN-PSASIEDQSA-N 1 2 225.267 1.062 20 0 BDADLO CN(CC(=O)N1CCCCO1)c1cccc[nH+]1 ZINC001177408286 978352972 /nfs/dbraw/zinc/35/29/72/978352972.db2.gz AXHAFISJYUMTCE-UHFFFAOYSA-N 1 2 235.287 1.072 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cnc(C)cc2C)CC1 ZINC001233005971 978392440 /nfs/dbraw/zinc/39/24/40/978392440.db2.gz VKGSCMMECVZLTB-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC001233005519 978392689 /nfs/dbraw/zinc/39/26/89/978392689.db2.gz OSOMLUPRJDGMHJ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC001233005519 978392698 /nfs/dbraw/zinc/39/26/98/978392698.db2.gz OSOMLUPRJDGMHJ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cn1 ZINC001233008270 978401603 /nfs/dbraw/zinc/40/16/03/978401603.db2.gz PHNGKBDPQSIFAA-CHWSQXEVSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cn1 ZINC001233008270 978401609 /nfs/dbraw/zinc/40/16/09/978401609.db2.gz PHNGKBDPQSIFAA-CHWSQXEVSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cnc(F)cc1C(=O)OCCn1cc[nH+]c1 ZINC001337553487 978405439 /nfs/dbraw/zinc/40/54/39/978405439.db2.gz BERLKIUVAIELHE-UHFFFAOYSA-N 1 2 249.245 1.583 20 0 BDADLO O=C(Cc1ccc[nH]1)NCCOc1cc[nH+]cc1 ZINC001177873905 978450538 /nfs/dbraw/zinc/45/05/38/978450538.db2.gz IHIKGZOWDZTIIO-UHFFFAOYSA-N 1 2 245.282 1.147 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc3ccccn3n2)C1 ZINC001233069023 978453081 /nfs/dbraw/zinc/45/30/81/978453081.db2.gz OXLFVANPLWOTKL-SNVBAGLBSA-N 1 2 216.288 1.571 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc3ccccn3n2)C1 ZINC001233069023 978453089 /nfs/dbraw/zinc/45/30/89/978453089.db2.gz OXLFVANPLWOTKL-SNVBAGLBSA-N 1 2 216.288 1.571 20 0 BDADLO COc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)no1 ZINC001177921368 978471275 /nfs/dbraw/zinc/47/12/75/978471275.db2.gz APRIZRMMPMMHJO-SSDOTTSWSA-N 1 2 236.231 1.079 20 0 BDADLO C[C@H](C(=O)N[C@H]1CC12CCOCC2)n1cc[nH+]c1 ZINC001177926536 978475829 /nfs/dbraw/zinc/47/58/29/978475829.db2.gz FUQWCGKZDCSGGE-MNOVXSKESA-N 1 2 249.314 1.129 20 0 BDADLO C[C@H](C(=O)Nc1ccccc1CO)n1cc[nH+]c1 ZINC001177925533 978476733 /nfs/dbraw/zinc/47/67/33/978476733.db2.gz LNHOPSGLDKAOMO-SNVBAGLBSA-N 1 2 245.282 1.575 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3ccnc3C2)cnc1C ZINC001233158037 978478409 /nfs/dbraw/zinc/47/84/09/978478409.db2.gz CQUROCMEGLEFIZ-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C[N@H+]2CCn3ccnc3C2)cnc1C ZINC001233158037 978478414 /nfs/dbraw/zinc/47/84/14/978478414.db2.gz CQUROCMEGLEFIZ-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC12CCC2)n1cc[nH+]c1 ZINC001177929962 978479082 /nfs/dbraw/zinc/47/90/82/978479082.db2.gz WFLKITSZASYCSE-NXEZZACHSA-N 1 2 219.288 1.503 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C/c2ccc[nH]2)c1 ZINC001177939655 978481171 /nfs/dbraw/zinc/48/11/71/978481171.db2.gz LPBBHBSHSPWNSF-SNAWJCMRSA-N 1 2 244.298 1.120 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)/C=C/c1ccc[nH]1 ZINC001177943264 978482618 /nfs/dbraw/zinc/48/26/18/978482618.db2.gz BZZDXGJZGYSJAW-SNAWJCMRSA-N 1 2 244.298 1.120 20 0 BDADLO Cc1cc(F)cc(N(CCO)CC2CC2)[nH+]1 ZINC001337788353 978497212 /nfs/dbraw/zinc/49/72/12/978497212.db2.gz PEOGTOMHFUAFHI-UHFFFAOYSA-N 1 2 224.279 1.738 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)c(O)c2)C[C@@H]1F ZINC001233230968 978498772 /nfs/dbraw/zinc/49/87/72/978498772.db2.gz ONNLQVRAPDGZNC-WCQYABFASA-N 1 2 239.290 1.869 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)c(O)c2)C[C@@H]1F ZINC001233230968 978498780 /nfs/dbraw/zinc/49/87/80/978498780.db2.gz ONNLQVRAPDGZNC-WCQYABFASA-N 1 2 239.290 1.869 20 0 BDADLO c1cn([C@@H]2CCCN(c3nncs3)C2)c[nH+]1 ZINC001337836577 978520662 /nfs/dbraw/zinc/52/06/62/978520662.db2.gz CDEWHWLUILZKJZ-SECBINFHSA-N 1 2 235.316 1.576 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001233317887 978543882 /nfs/dbraw/zinc/54/38/82/978543882.db2.gz IGIWJIGGKDHJNS-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001233317887 978543888 /nfs/dbraw/zinc/54/38/88/978543888.db2.gz IGIWJIGGKDHJNS-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc(CO)cc[nH+]2)n[nH]1 ZINC001337902921 978559311 /nfs/dbraw/zinc/55/93/11/978559311.db2.gz SBJSJGYLDFVCSU-VIFPVBQESA-N 1 2 246.314 1.649 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](n3cncn3)C2)[nH+]1 ZINC001337938638 978570479 /nfs/dbraw/zinc/57/04/79/978570479.db2.gz IDASZSKEMQJUQP-NSHDSACASA-N 1 2 247.277 1.572 20 0 BDADLO c1cn2c(cccc2CN2C[C@H]3CC[C@@H]2CO3)[nH+]1 ZINC001233364511 978574693 /nfs/dbraw/zinc/57/46/93/978574693.db2.gz OHJQVXPXFIVKGK-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO CC=C(C)C=CC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001178512710 978581499 /nfs/dbraw/zinc/58/14/99/978581499.db2.gz WUCWVWSSVDVIQL-UVJWVVOVSA-N 1 2 233.315 1.899 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccc(C)nc2)c[nH+]1 ZINC001178662501 978602985 /nfs/dbraw/zinc/60/29/85/978602985.db2.gz NNKHKNCIVNFRBS-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccc(C)nc2)[nH+]1 ZINC001178662501 978602990 /nfs/dbraw/zinc/60/29/90/978602990.db2.gz NNKHKNCIVNFRBS-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C(/C)Cl)c[nH+]1 ZINC001178669910 978605272 /nfs/dbraw/zinc/60/52/72/978605272.db2.gz QWEBAGPVTSYFGV-DAXSKMNVSA-N 1 2 227.695 1.731 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C(C)Cl)[nH+]1 ZINC001178669910 978605282 /nfs/dbraw/zinc/60/52/82/978605282.db2.gz QWEBAGPVTSYFGV-DAXSKMNVSA-N 1 2 227.695 1.731 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233450711 978607662 /nfs/dbraw/zinc/60/76/62/978607662.db2.gz HGQJAJZUQBTKHL-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233450711 978607672 /nfs/dbraw/zinc/60/76/72/978607672.db2.gz HGQJAJZUQBTKHL-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1ncnc(C)c1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001178691948 978608370 /nfs/dbraw/zinc/60/83/70/978608370.db2.gz UCKDPQFLCJVFMI-LLVKDONJSA-N 1 2 248.330 1.516 20 0 BDADLO Cc1ncnc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178691948 978608381 /nfs/dbraw/zinc/60/83/81/978608381.db2.gz UCKDPQFLCJVFMI-LLVKDONJSA-N 1 2 248.330 1.516 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)/C=C/C1CC1 ZINC001233491887 978610748 /nfs/dbraw/zinc/61/07/48/978610748.db2.gz ZTYQZVOLLVOODG-ZYOFXKKJSA-N 1 2 240.322 1.455 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)/C=C/C1CC1 ZINC001233491887 978610753 /nfs/dbraw/zinc/61/07/53/978610753.db2.gz ZTYQZVOLLVOODG-ZYOFXKKJSA-N 1 2 240.322 1.455 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)c2nccn21 ZINC001178717714 978621046 /nfs/dbraw/zinc/62/10/46/978621046.db2.gz ZFCAYOBFSIDOEL-JOYOIKCWSA-N 1 2 247.298 1.764 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1CC=CC1 ZINC001178922250 978645222 /nfs/dbraw/zinc/64/52/22/978645222.db2.gz IZFCKDIKMIPWES-UHFFFAOYSA-N 1 2 245.326 1.871 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)nc1C ZINC001249912153 978652293 /nfs/dbraw/zinc/65/22/93/978652293.db2.gz IAPYZXNJDATERH-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@H]2C(C)=O)nc1C ZINC001249912153 978652301 /nfs/dbraw/zinc/65/23/01/978652301.db2.gz IAPYZXNJDATERH-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO CN(C)c1cc(NCCC(F)F)[nH+]cn1 ZINC001338299573 978654915 /nfs/dbraw/zinc/65/49/15/978654915.db2.gz SYXYLYRYJAQFNZ-UHFFFAOYSA-N 1 2 216.235 1.610 20 0 BDADLO CN(C)c1cc(NCCC(F)F)nc[nH+]1 ZINC001338299573 978654924 /nfs/dbraw/zinc/65/49/24/978654924.db2.gz SYXYLYRYJAQFNZ-UHFFFAOYSA-N 1 2 216.235 1.610 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1C(=O)[O-] ZINC001600210086 978680145 /nfs/dbraw/zinc/68/01/45/978680145.db2.gz GVJIERFXSVAMKM-GFCCVEGCSA-N 1 2 248.326 1.535 20 0 BDADLO C[C@H](O)CCCC(=O)Oc1ccc2[nH+]ccn2c1 ZINC001233754271 978691933 /nfs/dbraw/zinc/69/19/33/978691933.db2.gz HRNLBHLZJVUZEE-JTQLQIEISA-N 1 2 248.282 1.791 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccoc1 ZINC001204247676 978711465 /nfs/dbraw/zinc/71/14/65/978711465.db2.gz ONIIWCZYJAMTFY-WOPDTQHZSA-N 1 2 235.283 1.806 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccoc1 ZINC001204247676 978711469 /nfs/dbraw/zinc/71/14/69/978711469.db2.gz ONIIWCZYJAMTFY-WOPDTQHZSA-N 1 2 235.283 1.806 20 0 BDADLO CC[C@H](F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001338903632 978749163 /nfs/dbraw/zinc/74/91/63/978749163.db2.gz URAORRSEGBVMEW-JTQLQIEISA-N 1 2 239.294 1.864 20 0 BDADLO CC[C@H](F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001338903632 978749169 /nfs/dbraw/zinc/74/91/69/978749169.db2.gz URAORRSEGBVMEW-JTQLQIEISA-N 1 2 239.294 1.864 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001338888808 978750587 /nfs/dbraw/zinc/75/05/87/978750587.db2.gz VPLWJTQOOHVKLD-GHMZBOCLSA-N 1 2 223.320 1.949 20 0 BDADLO CC[NH2+][C@H](C)CN(C)C(=O)C(F)C(F)(F)F ZINC001277827063 978762966 /nfs/dbraw/zinc/76/29/66/978762966.db2.gz UORQMVKCPXITOX-RNFRBKRXSA-N 1 2 244.232 1.343 20 0 BDADLO CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001277827063 978762970 /nfs/dbraw/zinc/76/29/70/978762970.db2.gz UORQMVKCPXITOX-RNFRBKRXSA-N 1 2 244.232 1.343 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCSC1 ZINC001339178277 978809891 /nfs/dbraw/zinc/80/98/91/978809891.db2.gz UXBXWYXJHFENFE-UHFFFAOYSA-N 1 2 225.317 1.265 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCSC1 ZINC001339178277 978809895 /nfs/dbraw/zinc/80/98/95/978809895.db2.gz UXBXWYXJHFENFE-UHFFFAOYSA-N 1 2 225.317 1.265 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C1(C)CC1 ZINC001234454224 978840868 /nfs/dbraw/zinc/84/08/68/978840868.db2.gz GNYVLGQXLPXSEH-SNVBAGLBSA-N 1 2 228.311 1.289 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)C1(C)CC1 ZINC001234454224 978840870 /nfs/dbraw/zinc/84/08/70/978840870.db2.gz GNYVLGQXLPXSEH-SNVBAGLBSA-N 1 2 228.311 1.289 20 0 BDADLO CC[NH+]1CC(Oc2cc3[nH]ccc3cn2)C1 ZINC001234529868 978857856 /nfs/dbraw/zinc/85/78/56/978857856.db2.gz OOFRCOCXBPCLRV-UHFFFAOYSA-N 1 2 217.272 1.646 20 0 BDADLO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncn[nH]1 ZINC000070568230 978859607 /nfs/dbraw/zinc/85/96/07/978859607.db2.gz XDJNUJSHOJQRLA-ZJUUUORDSA-N 1 2 208.309 1.863 20 0 BDADLO Cc1noc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC001339574186 978873611 /nfs/dbraw/zinc/87/36/11/978873611.db2.gz HVBXEUFBRNPGLV-SNVBAGLBSA-N 1 2 233.275 1.416 20 0 BDADLO Nc1cc(N2CC[C@H](c3ccccn3)C2)[nH+]cn1 ZINC001339706855 978896207 /nfs/dbraw/zinc/89/62/07/978896207.db2.gz OCRDJHUTEXUKTB-JTQLQIEISA-N 1 2 241.298 1.448 20 0 BDADLO CCc1ccc(N2CC[C@](F)(CO)C2)[nH+]c1 ZINC001339712571 978896603 /nfs/dbraw/zinc/89/66/03/978896603.db2.gz YHWUYENVORBNMF-GFCCVEGCSA-N 1 2 224.279 1.555 20 0 BDADLO CCc1ccc(N2CC[C@@H](O)C(F)(F)C2)[nH+]c1 ZINC001339769276 978907280 /nfs/dbraw/zinc/90/72/80/978907280.db2.gz GWVWVTXJBULPEC-SNVBAGLBSA-N 1 2 242.269 1.850 20 0 BDADLO CC(C)COCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001180749651 978935041 /nfs/dbraw/zinc/93/50/41/978935041.db2.gz CAYYTYCEFHCNKP-UHFFFAOYSA-N 1 2 247.298 1.945 20 0 BDADLO CCOC(=O)c1cc(C[N@H+](C)C2COC2)c[nH]1 ZINC001234947821 978936365 /nfs/dbraw/zinc/93/63/65/978936365.db2.gz WANNMKBVDKEYQH-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+](C)C2COC2)c[nH]1 ZINC001234947821 978936371 /nfs/dbraw/zinc/93/63/71/978936371.db2.gz WANNMKBVDKEYQH-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO Cc1c[nH+]c(Nc2ccc[nH]c2=O)c(N)c1 ZINC001206432431 978946985 /nfs/dbraw/zinc/94/69/85/978946985.db2.gz ZCZATZJRFAHCSB-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(F)cn2)C[C@]1(C)O ZINC001235007155 978949681 /nfs/dbraw/zinc/94/96/81/978949681.db2.gz RDNWAVYBCJMJBT-SKDRFNHKSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(F)cn2)C[C@]1(C)O ZINC001235007155 978949683 /nfs/dbraw/zinc/94/96/83/978949683.db2.gz RDNWAVYBCJMJBT-SKDRFNHKSA-N 1 2 239.294 1.209 20 0 BDADLO Fc1cnc(C[N@@H+]2CCC3(CCC3)C2)nc1 ZINC001235009990 978951212 /nfs/dbraw/zinc/95/12/12/978951212.db2.gz CCPGSSYNCCWZSN-UHFFFAOYSA-N 1 2 221.279 1.992 20 0 BDADLO Fc1cnc(C[N@H+]2CCC3(CCC3)C2)nc1 ZINC001235009990 978951220 /nfs/dbraw/zinc/95/12/20/978951220.db2.gz CCPGSSYNCCWZSN-UHFFFAOYSA-N 1 2 221.279 1.992 20 0 BDADLO CC[N@H+](CCC(=O)OC)Cc1ncc(F)cn1 ZINC001235014664 978953470 /nfs/dbraw/zinc/95/34/70/978953470.db2.gz XIHLCKNUKZUFCQ-UHFFFAOYSA-N 1 2 241.266 1.001 20 0 BDADLO CC[N@@H+](CCC(=O)OC)Cc1ncc(F)cn1 ZINC001235014664 978953471 /nfs/dbraw/zinc/95/34/71/978953471.db2.gz XIHLCKNUKZUFCQ-UHFFFAOYSA-N 1 2 241.266 1.001 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncc(F)cn2)[C@@H](C)C1 ZINC001235020956 978955019 /nfs/dbraw/zinc/95/50/19/978955019.db2.gz JJTOACYZUYAHMJ-ONGXEEELSA-N 1 2 239.294 1.615 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncc(F)cn2)[C@@H](C)C1 ZINC001235020956 978955022 /nfs/dbraw/zinc/95/50/22/978955022.db2.gz JJTOACYZUYAHMJ-ONGXEEELSA-N 1 2 239.294 1.615 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@]2(CCOC2)C1)n1cc[nH+]c1 ZINC001340235300 978994877 /nfs/dbraw/zinc/99/48/77/978994877.db2.gz BGTUKASGAORNJR-WCQYABFASA-N 1 2 249.314 1.083 20 0 BDADLO CC(C)N(CC1CC1)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181248229 979017938 /nfs/dbraw/zinc/01/79/38/979017938.db2.gz GIMGRQAEKZSFFL-UHFFFAOYSA-N 1 2 247.342 1.853 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[C@H]1F ZINC001340475916 979026463 /nfs/dbraw/zinc/02/64/63/979026463.db2.gz CWBRCAKEHDVIDD-HTQZYQBOSA-N 1 2 219.219 1.631 20 0 BDADLO Nc1cc(CC(=O)NC2(CC3CC3)CC2)cc[nH+]1 ZINC001181277297 979032755 /nfs/dbraw/zinc/03/27/55/979032755.db2.gz UTAMSALXTOZBQM-UHFFFAOYSA-N 1 2 245.326 1.655 20 0 BDADLO CCOc1cc(O)cc(C[N@H+](C)C2COC2)c1 ZINC001235398343 979035591 /nfs/dbraw/zinc/03/55/91/979035591.db2.gz OWNVQWVBFJMHHT-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CCOc1cc(O)cc(C[N@@H+](C)C2COC2)c1 ZINC001235398343 979035593 /nfs/dbraw/zinc/03/55/93/979035593.db2.gz OWNVQWVBFJMHHT-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cncc(F)c1Cl ZINC001235488517 979052624 /nfs/dbraw/zinc/05/26/24/979052624.db2.gz KMBNKZNHYWDCJS-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cncc(F)c1Cl ZINC001235488517 979052630 /nfs/dbraw/zinc/05/26/30/979052630.db2.gz KMBNKZNHYWDCJS-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001181345037 979070480 /nfs/dbraw/zinc/07/04/80/979070480.db2.gz DKVFACPTLULMSP-JTQLQIEISA-N 1 2 245.282 1.582 20 0 BDADLO CCOCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001340809217 979116107 /nfs/dbraw/zinc/11/61/07/979116107.db2.gz CUOYQOYJBUHCEI-UHFFFAOYSA-N 1 2 236.315 1.876 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)CCCCF ZINC001340949153 979172373 /nfs/dbraw/zinc/17/23/73/979172373.db2.gz UFAZUWPJDNMOLH-UHFFFAOYSA-N 1 2 234.296 1.085 20 0 BDADLO C[NH+]1CC(NC(=O)Cc2cccc3[nH]ccc32)C1 ZINC001181727383 979265609 /nfs/dbraw/zinc/26/56/09/979265609.db2.gz CCLYZEUGFUDMQF-UHFFFAOYSA-N 1 2 243.310 1.141 20 0 BDADLO [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc([S-])cc1)C2 ZINC001235986790 979268095 /nfs/dbraw/zinc/26/80/95/979268095.db2.gz FPTKAUDHGIFRCS-WCQYABFASA-N 1 2 234.368 1.898 20 0 BDADLO [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001235986790 979268105 /nfs/dbraw/zinc/26/81/05/979268105.db2.gz FPTKAUDHGIFRCS-WCQYABFASA-N 1 2 234.368 1.898 20 0 BDADLO Cc1nn(C)c(C[N@H+]2CC[C@H](O)[C@@H]2C)c1Cl ZINC001181797781 979309015 /nfs/dbraw/zinc/30/90/15/979309015.db2.gz YACVEPNQYHFJBN-WPRPVWTQSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2CC[C@H](O)[C@@H]2C)c1Cl ZINC001181797781 979309025 /nfs/dbraw/zinc/30/90/25/979309025.db2.gz YACVEPNQYHFJBN-WPRPVWTQSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1ccc(Nc2cnccc2C(N)=O)c(C)[nH+]1 ZINC001203368133 979321998 /nfs/dbraw/zinc/32/19/98/979321998.db2.gz VEROOVAGEAKTMW-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001341445830 979406534 /nfs/dbraw/zinc/40/65/34/979406534.db2.gz PQMFRCCWTKVGFG-GARJFASQSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)n[nH]1 ZINC001341604215 979487669 /nfs/dbraw/zinc/48/76/69/979487669.db2.gz GITJUSDZIAQDDD-PWSUYJOCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)n[nH]1 ZINC001341604215 979487674 /nfs/dbraw/zinc/48/76/74/979487674.db2.gz GITJUSDZIAQDDD-PWSUYJOCSA-N 1 2 223.320 1.311 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@H]1CCC[C@H](F)C1)C(F)F ZINC001341897787 979588944 /nfs/dbraw/zinc/58/89/44/979588944.db2.gz NWEIKDZWKJRNLO-BIIVOSGPSA-N 1 2 238.253 1.366 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@H]1CCC[C@@H](F)C1)C(F)F ZINC001341897789 979589879 /nfs/dbraw/zinc/58/98/79/979589879.db2.gz NWEIKDZWKJRNLO-GJMOJQLCSA-N 1 2 238.253 1.366 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001182739350 979631554 /nfs/dbraw/zinc/63/15/54/979631554.db2.gz TVKHDJHTLALYTQ-GFCCVEGCSA-N 1 2 248.326 1.338 20 0 BDADLO CCn1cc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)cn1 ZINC001182830994 979655363 /nfs/dbraw/zinc/65/53/63/979655363.db2.gz ZFQAOUKIKMFCDO-NSHDSACASA-N 1 2 236.319 1.324 20 0 BDADLO CCn1cc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)cn1 ZINC001182830994 979655367 /nfs/dbraw/zinc/65/53/67/979655367.db2.gz ZFQAOUKIKMFCDO-NSHDSACASA-N 1 2 236.319 1.324 20 0 BDADLO CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC001604553797 979674112 /nfs/dbraw/zinc/67/41/12/979674112.db2.gz CLRJJWSFVHMVQV-LBPRGKRZSA-N 1 2 248.326 1.615 20 0 BDADLO CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC001604903870 979759633 /nfs/dbraw/zinc/75/96/33/979759633.db2.gz VUTKNFQKPINUGI-LBPRGKRZSA-N 1 2 239.319 1.760 20 0 BDADLO CCN(C(=O)[C@H](C)CSC)C1C[NH+](C)C1 ZINC001183218412 979778747 /nfs/dbraw/zinc/77/87/47/979778747.db2.gz ZXWPLHKLAONIKO-SECBINFHSA-N 1 2 230.377 1.148 20 0 BDADLO CC1(CCC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001342459251 979807013 /nfs/dbraw/zinc/80/70/13/979807013.db2.gz SOCCRXPMAHCGAJ-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)n[nH]1 ZINC001342708197 979873534 /nfs/dbraw/zinc/87/35/34/979873534.db2.gz DFXSCPLQKXBYPP-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)n[nH]1 ZINC001342708197 979873537 /nfs/dbraw/zinc/87/35/37/979873537.db2.gz DFXSCPLQKXBYPP-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO C[C@@H]1[C@@H](C(=O)OCc2c[nH+]cn2C)C1(F)F ZINC001342804811 979901351 /nfs/dbraw/zinc/90/13/51/979901351.db2.gz MYDPOHQFBLOHMB-SVRRBLITSA-N 1 2 230.214 1.365 20 0 BDADLO Nc1ccc(CCC(=O)N2C3CCC2CC3)c[nH+]1 ZINC001183936885 979901585 /nfs/dbraw/zinc/90/15/85/979901585.db2.gz QPTQEIZMNGMKME-UHFFFAOYSA-N 1 2 245.326 1.750 20 0 BDADLO Nc1ccc(CCC(=O)N[C@@H]2CC23CCC3)c[nH+]1 ZINC001183940312 979907276 /nfs/dbraw/zinc/90/72/76/979907276.db2.gz XZESIVOKQSEXAW-LLVKDONJSA-N 1 2 245.326 1.655 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccn3nccc3c2)C[C@@H]1F ZINC001237550069 979939820 /nfs/dbraw/zinc/93/98/20/979939820.db2.gz OJPNZYFHWXCSRQ-STQMWFEESA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccn3nccc3c2)C[C@@H]1F ZINC001237550069 979939822 /nfs/dbraw/zinc/93/98/22/979939822.db2.gz OJPNZYFHWXCSRQ-STQMWFEESA-N 1 2 249.289 1.503 20 0 BDADLO CN(C)c1cc[nH+]c(C[NH2+][C@H](C(=O)[O-])C2CC2)c1 ZINC001606062079 979946268 /nfs/dbraw/zinc/94/62/68/979946268.db2.gz QLOXVVTZHTYCJM-LBPRGKRZSA-N 1 2 249.314 1.100 20 0 BDADLO C[N@H+](CCCn1cc[nH+]c1)CC1(C(=O)[O-])CC1 ZINC001606126063 979960724 /nfs/dbraw/zinc/96/07/24/979960724.db2.gz YGVYPEPRPOQMAZ-UHFFFAOYSA-N 1 2 237.303 1.070 20 0 BDADLO C[N@@H+](CCCn1cc[nH+]c1)CC1(C(=O)[O-])CC1 ZINC001606126063 979960731 /nfs/dbraw/zinc/96/07/31/979960731.db2.gz YGVYPEPRPOQMAZ-UHFFFAOYSA-N 1 2 237.303 1.070 20 0 BDADLO c1nnc(C[N@@H+]2CCC3(C2)CCCCC3)[nH]1 ZINC001237603117 979967529 /nfs/dbraw/zinc/96/75/29/979967529.db2.gz HXTTUMQPLJRLSF-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO c1nnc(C[N@H+]2CCC3(C2)CCCCC3)[nH]1 ZINC001237603117 979967540 /nfs/dbraw/zinc/96/75/40/979967540.db2.gz HXTTUMQPLJRLSF-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO CC[C@](C)(O)CC(=O)Nc1cccc2[nH+]ccn21 ZINC001184255285 979982751 /nfs/dbraw/zinc/98/27/51/979982751.db2.gz DIHXINVHEPRFMC-ZDUSSCGKSA-N 1 2 247.298 1.824 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001237637119 979987034 /nfs/dbraw/zinc/98/70/34/979987034.db2.gz DUDDXIYKYHNMPV-NEPJUHHUSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001237637119 979987042 /nfs/dbraw/zinc/98/70/42/979987042.db2.gz DUDDXIYKYHNMPV-NEPJUHHUSA-N 1 2 236.315 1.984 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CC2(CCC2)C1 ZINC001237645615 979996472 /nfs/dbraw/zinc/99/64/72/979996472.db2.gz HAKVEEROJKAUQQ-UHFFFAOYSA-N 1 2 205.305 1.958 20 0 BDADLO Cc1coc(CN2CCc3c([nH+]cn3C)C2)n1 ZINC001237647645 980000266 /nfs/dbraw/zinc/00/02/66/980000266.db2.gz DUBOTMIQUUDFDW-UHFFFAOYSA-N 1 2 232.287 1.275 20 0 BDADLO CCOC1CC[NH+](Cc2cn[nH]c2CC)CC1 ZINC001237652995 980010126 /nfs/dbraw/zinc/01/01/26/980010126.db2.gz BPDDUCKYPZKIAN-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CCC(F)CC1 ZINC001237652281 980010284 /nfs/dbraw/zinc/01/02/84/980010284.db2.gz QFOCKXAYGUSPGB-UHFFFAOYSA-N 1 2 211.284 1.906 20 0 BDADLO CCc1[nH]ncc1CN1CC([NH+]2CCCCC2)C1 ZINC001237660237 980024334 /nfs/dbraw/zinc/02/43/34/980024334.db2.gz XQGKKMNIWVBUPW-UHFFFAOYSA-N 1 2 248.374 1.642 20 0 BDADLO CC(C)CC(=O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184324760 980024529 /nfs/dbraw/zinc/02/45/29/980024529.db2.gz KXZZWDJBOJXPHX-UHFFFAOYSA-N 1 2 246.310 1.546 20 0 BDADLO CC[C@H](C)C(=O)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001184326645 980025802 /nfs/dbraw/zinc/02/58/02/980025802.db2.gz STJFFPIYVDMIOX-VIFPVBQESA-N 1 2 240.347 1.201 20 0 BDADLO COc1ccc(C)c(C[NH+]2CC3(CCO3)C2)c1 ZINC001237709855 980032494 /nfs/dbraw/zinc/03/24/94/980032494.db2.gz KFCLESDZGDHWLX-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO Cc1nc(C[N@@H+](C)CCF)ccc1F ZINC001237824288 980072522 /nfs/dbraw/zinc/07/25/22/980072522.db2.gz NZUXOEYQQXEXDS-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Cc1nc(C[N@H+](C)CCF)ccc1F ZINC001237824288 980072512 /nfs/dbraw/zinc/07/25/12/980072512.db2.gz NZUXOEYQQXEXDS-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccco2)C[C@@H]1F ZINC001203272274 980121494 /nfs/dbraw/zinc/12/14/94/980121494.db2.gz DSQXQYPFEMSKJQ-WDEREUQCSA-N 1 2 213.252 1.574 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccco2)C[C@@H]1F ZINC001203272274 980121502 /nfs/dbraw/zinc/12/15/02/980121502.db2.gz DSQXQYPFEMSKJQ-WDEREUQCSA-N 1 2 213.252 1.574 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1ccsc1C ZINC001237974872 980122367 /nfs/dbraw/zinc/12/23/67/980122367.db2.gz TZZWDQVNXUICOQ-GFCCVEGCSA-N 1 2 241.356 1.904 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1ccsc1C ZINC001237974872 980122374 /nfs/dbraw/zinc/12/23/74/980122374.db2.gz TZZWDQVNXUICOQ-GFCCVEGCSA-N 1 2 241.356 1.904 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)n1cc[nH+]c1 ZINC001608095560 980158373 /nfs/dbraw/zinc/15/83/73/980158373.db2.gz BETZJHHMOKFEGS-NNYUYHANSA-N 1 2 249.314 1.270 20 0 BDADLO C[C@@H](NC(=O)NC1C[NH+](C)C1)c1ccccc1 ZINC001185033030 980166290 /nfs/dbraw/zinc/16/62/90/980166290.db2.gz KYMDMOKGZCPUIP-SNVBAGLBSA-N 1 2 233.315 1.361 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NN1C[C@@H]2CCC[C@H]2C1 ZINC001608161258 980170606 /nfs/dbraw/zinc/17/06/06/980170606.db2.gz BDXRBCFDFBZEFP-QWRGUYRKSA-N 1 2 248.330 1.105 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NN1C[C@@H]2CCC[C@H]2C1 ZINC001608161258 980170609 /nfs/dbraw/zinc/17/06/09/980170609.db2.gz BDXRBCFDFBZEFP-QWRGUYRKSA-N 1 2 248.330 1.105 20 0 BDADLO Cn1nncc1C[N@H+](C)C1CC(F)(F)C1 ZINC001238156086 980179997 /nfs/dbraw/zinc/17/99/97/980179997.db2.gz JULWRXRCDVOSIB-UHFFFAOYSA-N 1 2 216.235 1.045 20 0 BDADLO Cn1nncc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001238156086 980180000 /nfs/dbraw/zinc/18/00/00/980180000.db2.gz JULWRXRCDVOSIB-UHFFFAOYSA-N 1 2 216.235 1.045 20 0 BDADLO Cc1ncncc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001238174981 980205324 /nfs/dbraw/zinc/20/53/24/980205324.db2.gz BVBDOEMWABTNJN-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncncc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001238174981 980205333 /nfs/dbraw/zinc/20/53/33/980205333.db2.gz BVBDOEMWABTNJN-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)c1cocn1 ZINC001343724567 980222651 /nfs/dbraw/zinc/22/26/51/980222651.db2.gz IQHFRYQBVJTFPV-UHFFFAOYSA-N 1 2 235.243 1.198 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1C[C@@H]1F ZINC001343733559 980224224 /nfs/dbraw/zinc/22/42/24/980224224.db2.gz OASSPBWBDVDDTF-ZJUUUORDSA-N 1 2 226.251 1.254 20 0 BDADLO C[C@@]1(O)C[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC001185462018 980229986 /nfs/dbraw/zinc/22/99/86/980229986.db2.gz SNKCRGOYYVHGCS-GMZHKTEUSA-N 1 2 245.282 1.434 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnc(F)c(OC)c1 ZINC001238453595 980268310 /nfs/dbraw/zinc/26/83/10/980268310.db2.gz ACSWLIBGGXIIQQ-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnc(F)c(OC)c1 ZINC001238453595 980268317 /nfs/dbraw/zinc/26/83/17/980268317.db2.gz ACSWLIBGGXIIQQ-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)NC1CCCC1 ZINC001185927902 980305892 /nfs/dbraw/zinc/30/58/92/980305892.db2.gz FDBIWXYWTDELSO-UHFFFAOYSA-N 1 2 249.314 1.702 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1Cc2ccncc2C1 ZINC001344032440 980319497 /nfs/dbraw/zinc/31/94/97/980319497.db2.gz REQWQULINOFBJO-UHFFFAOYSA-N 1 2 242.282 1.211 20 0 BDADLO Cc1[nH+]cc(NC(=O)NCC2CC2)n1C ZINC001186586309 980410608 /nfs/dbraw/zinc/41/06/08/980410608.db2.gz NXCARPDADPWECM-UHFFFAOYSA-N 1 2 208.265 1.260 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC001239094190 980449554 /nfs/dbraw/zinc/44/95/54/980449554.db2.gz OSKXFWDNHBSEHX-YGQDEOHPSA-N 1 2 230.267 1.893 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2nccn3cnnc23)c1 ZINC001203656441 980489608 /nfs/dbraw/zinc/48/96/08/980489608.db2.gz TVYCUYPHSNGHPH-UHFFFAOYSA-N 1 2 240.270 1.880 20 0 BDADLO Cc1c[nH]cc1C(=O)NCCc1[nH+]ccn1C ZINC001187807364 980554388 /nfs/dbraw/zinc/55/43/88/980554388.db2.gz VEHCZSWOZSFUPJ-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1[nH+]cc(NC(=O)NCc2ccco2)n1C ZINC001188147809 980603669 /nfs/dbraw/zinc/60/36/69/980603669.db2.gz PVSLVPPVENHLFM-UHFFFAOYSA-N 1 2 234.259 1.643 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccccc2C(F)F)C1 ZINC001188283537 980633784 /nfs/dbraw/zinc/63/37/84/980633784.db2.gz JRHQJPMFUFWQBW-UHFFFAOYSA-N 1 2 240.253 1.668 20 0 BDADLO Cc1cc(CC[NH+]2CCOCC2)c(C)o1 ZINC001250277668 980650092 /nfs/dbraw/zinc/65/00/92/980650092.db2.gz LLBXCVRTNAUOMF-UHFFFAOYSA-N 1 2 209.289 1.771 20 0 BDADLO CCO[C@H](CC)C(=O)OCc1c[nH+]cn1CC ZINC001345996655 980727193 /nfs/dbraw/zinc/72/71/93/980727193.db2.gz SEBRBYHULPJBCU-LLVKDONJSA-N 1 2 240.303 1.761 20 0 BDADLO c1cn(CCc2cnc3n[nH]cc3c2)c[nH+]1 ZINC001250316643 980756956 /nfs/dbraw/zinc/75/69/56/980756956.db2.gz QNMFMJXNNADTSL-UHFFFAOYSA-N 1 2 213.244 1.397 20 0 BDADLO Cn1nc(C(F)(F)F)cc1CCn1cc[nH+]c1 ZINC001250315568 980757280 /nfs/dbraw/zinc/75/72/80/980757280.db2.gz PLNLULOJILETSN-UHFFFAOYSA-N 1 2 244.220 1.878 20 0 BDADLO Cc1c(F)cncc1CCn1cc[nH+]c1 ZINC001250319501 980764816 /nfs/dbraw/zinc/76/48/16/980764816.db2.gz FXWWOZGYIPUJNU-UHFFFAOYSA-N 1 2 205.236 1.968 20 0 BDADLO c1coc(C[NH+]2CCN(c3ccncn3)CC2)c1 ZINC001203283311 980765889 /nfs/dbraw/zinc/76/58/89/980765889.db2.gz DSNYFIWFHSZSJO-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nncn1C ZINC001346243536 980795901 /nfs/dbraw/zinc/79/59/01/980795901.db2.gz GTRIXJVPRGTIOL-SECBINFHSA-N 1 2 248.334 1.135 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1noc(C(F)F)n1 ZINC001346312150 980808854 /nfs/dbraw/zinc/80/88/54/980808854.db2.gz ISVYFIYRKOQSAA-CAHLUQPWSA-N 1 2 247.245 1.429 20 0 BDADLO CCNc1cc(CNC(=O)NC2(C)CC2)cc[nH+]1 ZINC001346577199 980863496 /nfs/dbraw/zinc/86/34/96/980863496.db2.gz KYRVTQGIHFXEAL-UHFFFAOYSA-N 1 2 248.330 1.865 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001346592725 980867010 /nfs/dbraw/zinc/86/70/10/980867010.db2.gz XNPHJQSFKLZYSX-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO CNc1cc(CNC(=O)N2CCC2)cc[nH+]1 ZINC001346606812 980869319 /nfs/dbraw/zinc/86/93/19/980869319.db2.gz PAGQZLUFFJCHFY-UHFFFAOYSA-N 1 2 220.276 1.039 20 0 BDADLO CCCCNC(=O)N1CCc2[nH+]ccn2CC1 ZINC001190606538 980896733 /nfs/dbraw/zinc/89/67/33/980896733.db2.gz BGEVVXFZZAFDKD-UHFFFAOYSA-N 1 2 236.319 1.251 20 0 BDADLO Cc1cc(-c2ccccc2C(N)=O)c[nH+]c1N ZINC001239762362 980902605 /nfs/dbraw/zinc/90/26/05/980902605.db2.gz OPGCJSUOKLYYKG-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001346841587 980918874 /nfs/dbraw/zinc/91/88/74/980918874.db2.gz CVUGBBCFIJQLFJ-GMSGAONNSA-N 1 2 232.291 1.105 20 0 BDADLO C=Cn1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cn1 ZINC001346841740 980919765 /nfs/dbraw/zinc/91/97/65/980919765.db2.gz GBDVRZDNGGYTSE-ONGXEEELSA-N 1 2 244.302 1.371 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC(C)(C)C1CC1 ZINC001346985432 980942729 /nfs/dbraw/zinc/94/27/29/980942729.db2.gz OIZBVBVJUZEGAF-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO COC[C@H]1CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001190977575 980954379 /nfs/dbraw/zinc/95/43/79/980954379.db2.gz RPDGBOIZVNDOIB-UWVGGRQHSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@H]1CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001190977575 980954381 /nfs/dbraw/zinc/95/43/81/980954381.db2.gz RPDGBOIZVNDOIB-UWVGGRQHSA-N 1 2 241.360 1.958 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(S(C)(=O)=O)c1 ZINC001239836616 980978419 /nfs/dbraw/zinc/97/84/19/980978419.db2.gz JIUSWQBRVTUYEX-UHFFFAOYSA-N 1 2 236.296 1.491 20 0 BDADLO CCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001347291483 981037156 /nfs/dbraw/zinc/03/71/56/981037156.db2.gz XCBUHEDOLPJLAK-JTQLQIEISA-N 1 2 223.320 1.658 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001347329336 981047636 /nfs/dbraw/zinc/04/76/36/981047636.db2.gz JXTIHQGKZWQIAX-WDEREUQCSA-N 1 2 237.347 1.761 20 0 BDADLO O=C(NCc1c[nH+]cn1CC1CCC1)NC1CC1 ZINC001191503242 981059774 /nfs/dbraw/zinc/05/97/74/981059774.db2.gz GEPREUJRWTWMPC-UHFFFAOYSA-N 1 2 248.330 1.645 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC(C)(C)C1 ZINC001347522926 981105405 /nfs/dbraw/zinc/10/54/05/981105405.db2.gz RDUPLCZQRGXPHH-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO CC/C=C\CNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001347626061 981131400 /nfs/dbraw/zinc/13/14/00/981131400.db2.gz DLOAOOCQSGBFBI-PLNGDYQASA-N 1 2 248.330 1.889 20 0 BDADLO Nc1cnc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219747 981171935 /nfs/dbraw/zinc/17/19/35/981171935.db2.gz UNNZWSHYGWEVDS-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@@](C)(F)C1)n1cc[nH+]c1 ZINC001347860187 981201395 /nfs/dbraw/zinc/20/13/95/981201395.db2.gz CILRJYKQUGVWHO-CMPLNLGQSA-N 1 2 239.294 1.795 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cn[nH]c2)cc1 ZINC001240243239 981219961 /nfs/dbraw/zinc/21/99/61/981219961.db2.gz ZZIHOQURBCEDMF-NSHDSACASA-N 1 2 231.255 1.250 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2c(C)c[nH]c2C)[nH+]1 ZINC001193360018 981302633 /nfs/dbraw/zinc/30/26/33/981302633.db2.gz QLJBSYSDVYMFPF-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CC[C@@H](CO)N(C)c1cc(F)cc(C)[nH+]1 ZINC001348194097 981306421 /nfs/dbraw/zinc/30/64/21/981306421.db2.gz COVJNFVOXCVBJO-JTQLQIEISA-N 1 2 212.268 1.736 20 0 BDADLO C[C@@H](CC(=O)OCC(C)(C)O)n1cc[nH+]c1 ZINC001348293013 981328170 /nfs/dbraw/zinc/32/81/70/981328170.db2.gz WPFKHAHOMZGHMK-VIFPVBQESA-N 1 2 226.276 1.148 20 0 BDADLO CC[C@@H](F)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC001348329019 981337308 /nfs/dbraw/zinc/33/73/08/981337308.db2.gz WMRDBGRBYZSFNP-RKDXNWHRSA-N 1 2 221.247 1.322 20 0 BDADLO CC[C@@H](F)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC001348329019 981337314 /nfs/dbraw/zinc/33/73/14/981337314.db2.gz WMRDBGRBYZSFNP-RKDXNWHRSA-N 1 2 221.247 1.322 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC001193565462 981372013 /nfs/dbraw/zinc/37/20/13/981372013.db2.gz XZDWNWHDNSZZDB-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC001193565462 981372019 /nfs/dbraw/zinc/37/20/19/981372019.db2.gz XZDWNWHDNSZZDB-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO Cc1cc(-c2cnc3ccnn3c2)c[nH+]c1N ZINC001240434819 981386190 /nfs/dbraw/zinc/38/61/90/981386190.db2.gz AKNINGGYKAAIHT-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC=CCC1 ZINC001348592620 981403492 /nfs/dbraw/zinc/40/34/92/981403492.db2.gz VFFNAXTYGPDJPQ-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1nn(C)c(C)c1[C@H](O)CNc1cccc[nH+]1 ZINC001348595361 981404530 /nfs/dbraw/zinc/40/45/30/981404530.db2.gz LAZOMYMGAAWEPH-LLVKDONJSA-N 1 2 246.314 1.577 20 0 BDADLO O=C(/C=C\c1nccs1)NCCc1[nH]cc[nH+]1 ZINC001348621310 981407509 /nfs/dbraw/zinc/40/75/09/981407509.db2.gz RATDYTAEJMVEGW-UPHRSURJSA-N 1 2 248.311 1.238 20 0 BDADLO Cn1cccc(-c2ccn3cc[nH+]c3c2)c1=O ZINC001240510331 981434215 /nfs/dbraw/zinc/43/42/15/981434215.db2.gz HZJOJNPINWQZAR-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO CCn1nc(-c2ccn3cc[nH+]c3c2)ccc1=O ZINC001240513680 981439259 /nfs/dbraw/zinc/43/92/59/981439259.db2.gz ZHWMPQCLCZXELB-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC12CC2 ZINC001348917637 981475934 /nfs/dbraw/zinc/47/59/34/981475934.db2.gz GVXWTBDKMWXXCZ-LLVKDONJSA-N 1 2 247.342 1.802 20 0 BDADLO CC(C)COC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001193863461 981486646 /nfs/dbraw/zinc/48/66/46/981486646.db2.gz IPMXBSMKLRRGSM-UHFFFAOYSA-N 1 2 249.314 1.652 20 0 BDADLO CC(C)(COC(=O)[C@@H]1CC1(F)F)n1cc[nH+]c1 ZINC001349021731 981498297 /nfs/dbraw/zinc/49/82/97/981498297.db2.gz MUDACZMXWIXQHU-QMMMGPOBSA-N 1 2 244.241 1.817 20 0 BDADLO CC(C)(COC(=O)[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC001349020622 981498413 /nfs/dbraw/zinc/49/84/13/981498413.db2.gz HUXNFWPKTFZBAY-JTQLQIEISA-N 1 2 234.299 1.962 20 0 BDADLO CCCOC(=O)N(CC)CCn1cc[nH+]c1 ZINC001194113683 981559175 /nfs/dbraw/zinc/55/91/75/981559175.db2.gz ZOQQRUAUJCJJDK-UHFFFAOYSA-N 1 2 225.292 1.752 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCC1(O)CCC1)C1CC1 ZINC001349500221 981565589 /nfs/dbraw/zinc/56/55/89/981565589.db2.gz YNKHCVRIEPYLJJ-LLVKDONJSA-N 1 2 241.331 1.223 20 0 BDADLO CC(=O)[C@@H]1CCCCN1Cc1c[nH+]cn1C ZINC000085191511 981677428 /nfs/dbraw/zinc/67/74/28/981677428.db2.gz CLUAULLIGFENSP-LBPRGKRZSA-N 1 2 221.304 1.364 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cncn1C ZINC000085191511 981677461 /nfs/dbraw/zinc/67/74/61/981677461.db2.gz CLUAULLIGFENSP-LBPRGKRZSA-N 1 2 221.304 1.364 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncn1C ZINC000085191511 981677492 /nfs/dbraw/zinc/67/74/92/981677492.db2.gz CLUAULLIGFENSP-LBPRGKRZSA-N 1 2 221.304 1.364 20 0 BDADLO c1nocc1C[NH+]1CCN(c2ccccn2)CC1 ZINC001205669965 981836890 /nfs/dbraw/zinc/83/68/90/981836890.db2.gz FKMUMVHKXVMXAL-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCC(F)F ZINC001350098775 981868810 /nfs/dbraw/zinc/86/88/10/981868810.db2.gz WEACEIHSWVQTAW-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO Cc1nc(NC(=O)CCc2[nH+]ccn2C)oc1C ZINC001584992420 981898833 /nfs/dbraw/zinc/89/88/33/981898833.db2.gz NSKFNIJQVONJDE-UHFFFAOYSA-N 1 2 248.286 1.596 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1Cc2ccccc2C1 ZINC001585007222 981900915 /nfs/dbraw/zinc/90/09/15/981900915.db2.gz HVZSASQPLPSJNO-UHFFFAOYSA-N 1 2 227.267 1.495 20 0 BDADLO C[C@@H](C(=O)NCc1ccns1)n1cc[nH+]c1 ZINC001350445478 981975561 /nfs/dbraw/zinc/97/55/61/981975561.db2.gz WLHDYCJHWJXOOK-QMMMGPOBSA-N 1 2 236.300 1.217 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccn1 ZINC001586295489 981985071 /nfs/dbraw/zinc/98/50/71/981985071.db2.gz MWBICRKVQCVBBQ-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001350500133 981987763 /nfs/dbraw/zinc/98/77/63/981987763.db2.gz QLEYUTXCMZFPML-RISCZKNCSA-N 1 2 249.358 1.761 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnn2cccnc12 ZINC001240928848 982003629 /nfs/dbraw/zinc/00/36/29/982003629.db2.gz JLLMAWGHPKURQI-LYMUNCMXSA-N 1 2 200.245 1.605 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C(F)(F)F)CCC1 ZINC001350587941 982009350 /nfs/dbraw/zinc/00/93/50/982009350.db2.gz DGGHUISOCGRODT-UHFFFAOYSA-N 1 2 247.220 1.553 20 0 BDADLO CC[C@@H](C)OC(=O)NCc1c[nH+]cn1C ZINC001195079110 982062909 /nfs/dbraw/zinc/06/29/09/982062909.db2.gz NJUSWXMGBCPTBH-MRVPVSSYSA-N 1 2 211.265 1.445 20 0 BDADLO CC[C@@H](C)OC(=O)NCCn1cc[nH+]c1 ZINC001195079314 982066561 /nfs/dbraw/zinc/06/65/61/982066561.db2.gz QFARRAUOCISZPC-SECBINFHSA-N 1 2 211.265 1.408 20 0 BDADLO CC[C@@](C)([NH2+]Cc1[nH]c(C)[nH+]c1C)C(=O)[O-] ZINC001594852216 982093142 /nfs/dbraw/zinc/09/31/42/982093142.db2.gz GVUWMXQGOMQQRD-LLVKDONJSA-N 1 2 225.292 1.369 20 0 BDADLO c1nocc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001205704386 982282770 /nfs/dbraw/zinc/28/27/70/982282770.db2.gz ZPUWAFMYRWJFGK-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO c1nocc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001205704386 982282783 /nfs/dbraw/zinc/28/27/83/982282783.db2.gz ZPUWAFMYRWJFGK-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO COc1ncc(-c2cc[nH+]c(N)c2)c(C)n1 ZINC001241170741 982317132 /nfs/dbraw/zinc/31/71/32/982317132.db2.gz QKSMTDZHNLUWFO-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO Nc1cc(-c2ccc3c(c2)NC(=O)NC3)cc[nH+]1 ZINC001241170739 982318768 /nfs/dbraw/zinc/31/87/68/982318768.db2.gz QJIRWDWXYVWBSV-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO CN1Cc2ccc(-c3cc[nH+]c(N)c3)cc2C1=O ZINC001241170845 982320598 /nfs/dbraw/zinc/32/05/98/982320598.db2.gz UCXVGHBHPKHOEH-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO COCOc1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241176048 982328421 /nfs/dbraw/zinc/32/84/21/982328421.db2.gz SBQQPYXBTYCQAN-UHFFFAOYSA-N 1 2 231.255 1.709 20 0 BDADLO C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1(C)CC1 ZINC001351657739 982352199 /nfs/dbraw/zinc/35/21/99/982352199.db2.gz RZGHATBSGDSKDI-UWVGGRQHSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cccnn1 ZINC001241227846 982377341 /nfs/dbraw/zinc/37/73/41/982377341.db2.gz DPFXUWOIESORRG-UHFFFAOYSA-N 1 2 214.272 1.913 20 0 BDADLO C[C@@H](C(=O)N1CC(=O)CC[C@@H]1C)n1cc[nH+]c1 ZINC001351807770 982397145 /nfs/dbraw/zinc/39/71/45/982397145.db2.gz ZEZWRHKYADTDOL-UWVGGRQHSA-N 1 2 235.287 1.024 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cnccn1 ZINC001352081499 982457348 /nfs/dbraw/zinc/45/73/48/982457348.db2.gz OTKOVCSSFJJTHV-MWLCHTKSSA-N 1 2 243.314 1.987 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C)CCC(=O)CC1 ZINC001352253362 982499796 /nfs/dbraw/zinc/49/97/96/982499796.db2.gz HZCRORAKVQHTKK-UHFFFAOYSA-N 1 2 249.314 1.186 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NOCC1CCC1 ZINC001352452465 982528507 /nfs/dbraw/zinc/52/85/07/982528507.db2.gz PAIUPMYIWRIZBR-UHFFFAOYSA-N 1 2 237.303 1.201 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC001300063795 982554763 /nfs/dbraw/zinc/55/47/63/982554763.db2.gz WNLKRWDBGFPNNE-JTQLQIEISA-N 1 2 234.303 1.320 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC001300063795 982554769 /nfs/dbraw/zinc/55/47/69/982554769.db2.gz WNLKRWDBGFPNNE-JTQLQIEISA-N 1 2 234.303 1.320 20 0 BDADLO CN(C)C(=O)OCC[N@@H+]1CCC[C@@H](F)C1 ZINC001352759918 982568739 /nfs/dbraw/zinc/56/87/39/982568739.db2.gz HBDTVWSKZVSIRB-SECBINFHSA-N 1 2 218.272 1.119 20 0 BDADLO CN(C)C(=O)OCC[N@H+]1CCC[C@@H](F)C1 ZINC001352759918 982568745 /nfs/dbraw/zinc/56/87/45/982568745.db2.gz HBDTVWSKZVSIRB-SECBINFHSA-N 1 2 218.272 1.119 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@H+](C[C@@H]2CCCCO2)C1 ZINC001197785147 982592187 /nfs/dbraw/zinc/59/21/87/982592187.db2.gz BHANXGITTBSRRF-YPMHNXCESA-N 1 2 249.358 1.973 20 0 BDADLO CC[C@@H](O)C[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785903 982596448 /nfs/dbraw/zinc/59/64/48/982596448.db2.gz LLSKIHMMFQFLKV-GXSJLCMTSA-N 1 2 223.320 1.175 20 0 BDADLO CC[C@@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785903 982596475 /nfs/dbraw/zinc/59/64/75/982596475.db2.gz LLSKIHMMFQFLKV-GXSJLCMTSA-N 1 2 223.320 1.175 20 0 BDADLO CCOC(=O)CCNc1cc[nH+]c(CC)n1 ZINC001353234935 982792870 /nfs/dbraw/zinc/79/28/70/982792870.db2.gz PFTYVTTVHJWHEA-UHFFFAOYSA-N 1 2 223.276 1.404 20 0 BDADLO CCc1nc(N2CC[C@H](C(=O)OC)[C@@H]2C)cc[nH+]1 ZINC001353277675 982816137 /nfs/dbraw/zinc/81/61/37/982816137.db2.gz KAZSVHIBTJPQPK-UWVGGRQHSA-N 1 2 249.314 1.427 20 0 BDADLO C/C=C\C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001353307661 982829777 /nfs/dbraw/zinc/82/97/77/982829777.db2.gz ZVWMKWBSHJAXKF-ARJAWSKDSA-N 1 2 233.315 1.702 20 0 BDADLO C/C=C/C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001353307662 982830347 /nfs/dbraw/zinc/83/03/47/982830347.db2.gz ZVWMKWBSHJAXKF-ONEGZZNKSA-N 1 2 233.315 1.702 20 0 BDADLO CC(C)(C)c1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC001353334122 982838643 /nfs/dbraw/zinc/83/86/43/982838643.db2.gz HCWROXFPZMGYEL-UHFFFAOYSA-N 1 2 247.302 1.612 20 0 BDADLO CC[C@H](F)C(=O)NCCCCn1cc[nH+]c1 ZINC001353575525 982898428 /nfs/dbraw/zinc/89/84/28/982898428.db2.gz QYDTWOGBIZCORY-JTQLQIEISA-N 1 2 227.283 1.528 20 0 BDADLO Cc1[nH]c(CNC(=O)CC2CC2)[nH+]c1C ZINC001353626103 982936348 /nfs/dbraw/zinc/93/63/48/982936348.db2.gz FEAOPBQJAKQZHI-UHFFFAOYSA-N 1 2 207.277 1.443 20 0 BDADLO CCc1ncoc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001353737812 982989251 /nfs/dbraw/zinc/98/92/51/982989251.db2.gz MNLFQNWXXIFCHY-VIFPVBQESA-N 1 2 246.270 1.308 20 0 BDADLO CC[C@H](C)NC(=S)Nc1cc[nH+]c(C)c1 ZINC001200464428 983023511 /nfs/dbraw/zinc/02/35/11/983023511.db2.gz BUWPJGMRCVYZKV-QMMMGPOBSA-N 1 2 223.345 1.897 20 0 BDADLO C[NH+]1CC(NC(=S)NC2CCCCCC2)C1 ZINC001199976336 983053660 /nfs/dbraw/zinc/05/36/60/983053660.db2.gz REGNDGIKFOESIY-UHFFFAOYSA-N 1 2 241.404 1.487 20 0 BDADLO CCN(CCNC(=O)C1CC1)c1cc[nH+]c(C)n1 ZINC001100446416 983102599 /nfs/dbraw/zinc/10/25/99/983102599.db2.gz FZYMOUBGWINVBA-UHFFFAOYSA-N 1 2 248.330 1.138 20 0 BDADLO O=C([C@@H]1C[C@H]1F)N1CCN(c2cccc[nH+]2)CC1 ZINC001354071691 983141080 /nfs/dbraw/zinc/14/10/80/983141080.db2.gz UKHXMIOMLLEEJV-GHMZBOCLSA-N 1 2 249.289 1.088 20 0 BDADLO c1cc2c(c(-c3ccc4[nH]nnc4c3)[nH+]1)CCN2 ZINC001241937688 983143983 /nfs/dbraw/zinc/14/39/83/983143983.db2.gz BXFXZHGFMKIEFK-UHFFFAOYSA-N 1 2 237.266 1.988 20 0 BDADLO c1cc2c(c(-c3ccc4nn[nH]c4c3)[nH+]1)CCN2 ZINC001241937688 983143988 /nfs/dbraw/zinc/14/39/88/983143988.db2.gz BXFXZHGFMKIEFK-UHFFFAOYSA-N 1 2 237.266 1.988 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(N2CCOCC2)c1 ZINC001241957729 983171186 /nfs/dbraw/zinc/17/11/86/983171186.db2.gz VSHHXTSYILJMHG-UHFFFAOYSA-N 1 2 243.310 1.924 20 0 BDADLO Nc1ccc(-n2ccc(N)c3ccnc2-3)c[nH+]1 ZINC001201272151 983172886 /nfs/dbraw/zinc/17/28/86/983172886.db2.gz KCPHRRLRBMCDQT-UHFFFAOYSA-N 1 2 225.255 1.537 20 0 BDADLO COc1ccc(Nc2ccc(N)[nH+]c2)nc1OC ZINC001201272447 983173263 /nfs/dbraw/zinc/17/32/63/983173263.db2.gz ONEONOBBOUZWBF-UHFFFAOYSA-N 1 2 246.270 1.820 20 0 BDADLO Cc1ncncc1Nc1ccc(N)[nH+]c1 ZINC001201275419 983175023 /nfs/dbraw/zinc/17/50/23/983175023.db2.gz FEVJBZXFBXVIAF-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO CCOC(=O)c1ccn(-c2ccc(N)[nH+]c2)c1N ZINC001201272883 983176307 /nfs/dbraw/zinc/17/63/07/983176307.db2.gz VPGVABIZHXKBKU-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Nc1ccc(Nc2cnncc2Cl)c[nH+]1 ZINC001201276557 983176713 /nfs/dbraw/zinc/17/67/13/983176713.db2.gz WEICWRSGCZRDFP-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO CCOc1cnc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201275341 983177092 /nfs/dbraw/zinc/17/70/92/983177092.db2.gz BNLGFRLKPFHJHL-UHFFFAOYSA-N 1 2 231.259 1.596 20 0 BDADLO CC(=O)Nc1cc(Nc2ccc(N)[nH+]c2)ncn1 ZINC001201276310 983177104 /nfs/dbraw/zinc/17/71/04/983177104.db2.gz SWWPINSDNRQCAL-UHFFFAOYSA-N 1 2 244.258 1.156 20 0 BDADLO CN(C)c1cncc(Nc2ccc(N)[nH+]c2)c1 ZINC001201278291 983179046 /nfs/dbraw/zinc/17/90/46/983179046.db2.gz HIYBJBHMIMDOSQ-UHFFFAOYSA-N 1 2 229.287 1.868 20 0 BDADLO NC(=O)c1ccc(Nc2ccc(N)[nH+]c2)c(O)c1 ZINC001201294886 983180660 /nfs/dbraw/zinc/18/06/60/983180660.db2.gz JVFQIIFIRPJYQW-UHFFFAOYSA-N 1 2 244.254 1.212 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC001592705943 983195874 /nfs/dbraw/zinc/19/58/74/983195874.db2.gz HYMKUZTWINLRJS-GMTAPVOTSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC001592705943 983195881 /nfs/dbraw/zinc/19/58/81/983195881.db2.gz HYMKUZTWINLRJS-GMTAPVOTSA-N 1 2 240.347 1.312 20 0 BDADLO CN(c1cc(N)nc[nH+]1)[C@@H](CO)CC(C)(C)C ZINC001354213681 983198937 /nfs/dbraw/zinc/19/89/37/983198937.db2.gz NEWHFSBZXFRAJY-SECBINFHSA-N 1 2 238.335 1.292 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(CC(=O)[O-])C1 ZINC001592931034 983212856 /nfs/dbraw/zinc/21/28/56/983212856.db2.gz RDSSMCFNWMYWFD-WHXUTIOJSA-N 1 2 237.303 1.115 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](O)[C@H](F)C2)[nH+]1 ZINC001354280508 983253626 /nfs/dbraw/zinc/25/36/26/983253626.db2.gz XPVMKZSCJVTSMD-NXEZZACHSA-N 1 2 228.242 1.438 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc(N(C)C)n1 ZINC001242070738 983304888 /nfs/dbraw/zinc/30/48/88/983304888.db2.gz KRPUMLQOINJKNN-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO CCc1ccnc(-c2c[nH+]c(N)cc2C)n1 ZINC001242072628 983310151 /nfs/dbraw/zinc/31/01/51/983310151.db2.gz PMLJKGBRGMNXPM-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO COc1cnc(C)nc1-c1c[nH+]c(N)cc1C ZINC001242079154 983328688 /nfs/dbraw/zinc/32/86/88/983328688.db2.gz ZWDMLQMXBTUXKF-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCn3ncnc3C2)c1 ZINC001354623140 983331821 /nfs/dbraw/zinc/33/18/21/983331821.db2.gz IBQULYWCYTXLDN-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CC(=O)Nc1cccnc1-c1c[nH+]c(N)cc1C ZINC001242090968 983339456 /nfs/dbraw/zinc/33/94/56/983339456.db2.gz YYEXVMWNSNXUSD-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO CC[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201581542 983343335 /nfs/dbraw/zinc/34/33/35/983343335.db2.gz BIXXHBJNPFZZEU-UHFFFAOYSA-N 1 2 237.303 1.191 20 0 BDADLO CC[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201581542 983343341 /nfs/dbraw/zinc/34/33/41/983343341.db2.gz BIXXHBJNPFZZEU-UHFFFAOYSA-N 1 2 237.303 1.191 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C(=O)C(C)(C)C ZINC001355037784 983398099 /nfs/dbraw/zinc/39/80/99/983398099.db2.gz ZVIYCJWVZQTWIU-UHFFFAOYSA-N 1 2 234.299 1.674 20 0 BDADLO CCO[C@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001355128252 983424988 /nfs/dbraw/zinc/42/49/88/983424988.db2.gz NEUVZIARPNIYHL-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001355253972 983452931 /nfs/dbraw/zinc/45/29/31/983452931.db2.gz CSZYSAUZTOAHTO-WDEREUQCSA-N 1 2 246.314 1.327 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)ncn2)nc1 ZINC001355276014 983457785 /nfs/dbraw/zinc/45/77/85/983457785.db2.gz ZVTANZDBAZYDBB-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO COC(=O)CCC[NH+]1CC(Oc2ccccc2)C1 ZINC001202228162 983606115 /nfs/dbraw/zinc/60/61/15/983606115.db2.gz MDLJTXRSZGGWIP-UHFFFAOYSA-N 1 2 249.310 1.703 20 0 BDADLO C=CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC001356508724 983614888 /nfs/dbraw/zinc/61/48/88/983614888.db2.gz BWSHHURRGSDIMU-LBPRGKRZSA-N 1 2 245.326 1.473 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@H](CC)C(=O)OC ZINC001252106272 983654784 /nfs/dbraw/zinc/65/47/84/983654784.db2.gz MMZSWLHQKJZJSW-VHSXEESVSA-N 1 2 217.309 1.079 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=O)NC(C)C ZINC001202524688 983862210 /nfs/dbraw/zinc/86/22/10/983862210.db2.gz NGAVKTRRHADURP-UHFFFAOYSA-N 1 2 224.308 1.323 20 0 BDADLO O=c1[nH]cc(-c2cc[nH+]c3c2CCN3)cc1F ZINC001242617406 984002259 /nfs/dbraw/zinc/00/22/59/984002259.db2.gz RONBEGZQUPYMQX-UHFFFAOYSA-N 1 2 231.230 1.956 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCCC(C)C)C[N@@H+]1C ZINC001205969914 984100340 /nfs/dbraw/zinc/10/03/40/984100340.db2.gz GYKDPYZMWJCLJO-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCCC(C)C)C[N@H+]1C ZINC001205969914 984100345 /nfs/dbraw/zinc/10/03/45/984100345.db2.gz GYKDPYZMWJCLJO-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CCC[NH2+][C@@H](C)C(=O)Oc1ccccc1OC ZINC001577557147 984197939 /nfs/dbraw/zinc/19/79/39/984197939.db2.gz ZCHDRJCOTQVUSZ-JTQLQIEISA-N 1 2 237.299 1.989 20 0 BDADLO O=C(COC(F)F)Nc1ccn2cc[nH+]c2c1 ZINC001436596127 984332869 /nfs/dbraw/zinc/33/28/69/984332869.db2.gz GIGAFSDIZLXZBA-UHFFFAOYSA-N 1 2 241.197 1.512 20 0 BDADLO Cc1nc(C(=O)N2CC3(CC[N@H+]3C)C2)ccc1F ZINC001274358064 984334298 /nfs/dbraw/zinc/33/42/98/984334298.db2.gz QMKVGSYOXMEDCH-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1nc(C(=O)N2CC3(CC[N@@H+]3C)C2)ccc1F ZINC001274358064 984334304 /nfs/dbraw/zinc/33/43/04/984334304.db2.gz QMKVGSYOXMEDCH-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Nc1cc(-c2cncc(CO)c2)cc[nH+]1 ZINC001242971616 984341563 /nfs/dbraw/zinc/34/15/63/984341563.db2.gz XJCYGNIKJVGNAK-UHFFFAOYSA-N 1 2 201.229 1.218 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc2c[nH]nc21 ZINC001440869580 984444336 /nfs/dbraw/zinc/44/43/36/984444336.db2.gz XBWACFIGSJOLBX-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001441306364 984479276 /nfs/dbraw/zinc/47/92/76/984479276.db2.gz FAQBTDZIUVQWTL-UHFFFAOYSA-N 1 2 247.298 1.521 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CCC(=O)N2 ZINC001243067915 984485446 /nfs/dbraw/zinc/48/54/46/984485446.db2.gz QUFPLTICQLPJPX-UHFFFAOYSA-N 1 2 227.267 1.972 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CC(=O)NC2 ZINC001243069753 984493824 /nfs/dbraw/zinc/49/38/24/984493824.db2.gz KTXDHTZFRXEOOI-UHFFFAOYSA-N 1 2 227.267 1.259 20 0 BDADLO C=C/C=C/CC(=O)NCCc1[nH]cc[nH+]1 ZINC001444198271 984550058 /nfs/dbraw/zinc/55/00/58/984550058.db2.gz HAQOCFKHXAYVBD-ONEGZZNKSA-N 1 2 205.261 1.201 20 0 BDADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1(F)F ZINC001444208986 984552536 /nfs/dbraw/zinc/55/25/36/984552536.db2.gz WSJSVHLXEWIKKB-SNVBAGLBSA-N 1 2 241.241 1.312 20 0 BDADLO CCOC(=O)[C@H]1CC[C@H]([NH+]2CC3(CCO3)C2)C1 ZINC001257061812 984848758 /nfs/dbraw/zinc/84/87/58/984848758.db2.gz WSFRSZGXYOVQDH-QWRGUYRKSA-N 1 2 239.315 1.193 20 0 BDADLO C=C/C=C/CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001449961632 984852688 /nfs/dbraw/zinc/85/26/88/984852688.db2.gz AROJSOGWBVBYOE-HMDXOVGESA-N 1 2 217.272 1.056 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]1C1CC1 ZINC001449995389 984856261 /nfs/dbraw/zinc/85/62/61/984856261.db2.gz AHZMYJGUABUQQQ-VXGBXAGGSA-N 1 2 245.326 1.456 20 0 BDADLO CCOc1cccc(F)c1C[NH2+][C@@H]1CNOC1 ZINC001578194576 984866182 /nfs/dbraw/zinc/86/61/82/984866182.db2.gz RWAWQFBZNJEPRL-SECBINFHSA-N 1 2 240.278 1.217 20 0 BDADLO CCC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257317948 984892766 /nfs/dbraw/zinc/89/27/66/984892766.db2.gz WKZIBVYYNKGWGH-UTLUCORTSA-N 1 2 217.284 1.760 20 0 BDADLO CCC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257317948 984892768 /nfs/dbraw/zinc/89/27/68/984892768.db2.gz WKZIBVYYNKGWGH-UTLUCORTSA-N 1 2 217.284 1.760 20 0 BDADLO Cc1nn[nH]c1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001451733208 984899856 /nfs/dbraw/zinc/89/98/56/984899856.db2.gz VBIITBJQLWJWQU-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1[nH]nc(NC(=O)Cc2c[nH]c[nH+]2)c1Cl ZINC001452613950 984942172 /nfs/dbraw/zinc/94/21/72/984942172.db2.gz WENINQIDKBNAGZ-UHFFFAOYSA-N 1 2 239.666 1.276 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(CO)nc1 ZINC001243467219 984994567 /nfs/dbraw/zinc/99/45/67/984994567.db2.gz NTFGQZUCKXQBRY-UHFFFAOYSA-N 1 2 201.229 1.218 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(=O)n(C(F)F)c1 ZINC001243474893 985027682 /nfs/dbraw/zinc/02/76/82/985027682.db2.gz TZGZNVBXJJGGSH-UHFFFAOYSA-N 1 2 237.209 1.888 20 0 BDADLO CC(=O)Nc1ncc(-c2ccc[nH+]c2N)cc1C ZINC001243474899 985027757 /nfs/dbraw/zinc/02/77/57/985027757.db2.gz BKLJRIZLPPQXRH-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO COC(=O)c1ncc(-c2ccc[nH+]c2N)cc1C ZINC001243474941 985029256 /nfs/dbraw/zinc/02/92/56/985029256.db2.gz UOPMGXDWIMGQSK-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO NC(=O)c1cccc(-c2ccc[nH+]c2N)c1F ZINC001243475382 985032048 /nfs/dbraw/zinc/03/20/48/985032048.db2.gz GFWOMBKYSZCACS-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO COc1ccc(C(N)=O)c(-c2ccc[nH+]c2N)c1 ZINC001243476851 985039749 /nfs/dbraw/zinc/03/97/49/985039749.db2.gz VKFHQDRROSKWJE-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO OCCSc1nc2ccccc2n2c[nH+]cc12 ZINC001458064518 985262261 /nfs/dbraw/zinc/26/22/61/985262261.db2.gz WSNYFGWSCIVTKJ-UHFFFAOYSA-N 1 2 245.307 1.967 20 0 BDADLO COC(=O)c1cncnc1Nc1[nH]cc(C)[nH+]1 ZINC001458243756 985281681 /nfs/dbraw/zinc/28/16/81/985281681.db2.gz SKBBNYPBNCTYFN-UHFFFAOYSA-N 1 2 233.231 1.038 20 0 BDADLO Cn1c[nH+]cc1CNc1cc(Cl)nc(=O)[nH]1 ZINC001458544719 985327886 /nfs/dbraw/zinc/32/78/86/985327886.db2.gz IFKDYUPEZHTWDD-UHFFFAOYSA-N 1 2 239.666 1.181 20 0 BDADLO O=[N+]([O-])c1cnn(C[N@@H+]2CCCSCC2)c1 ZINC000077442973 985459477 /nfs/dbraw/zinc/45/94/77/985459477.db2.gz NKVWHZNBNATKHX-UHFFFAOYSA-N 1 2 242.304 1.188 20 0 BDADLO O=[N+]([O-])c1cnn(C[N@H+]2CCCSCC2)c1 ZINC000077442973 985459497 /nfs/dbraw/zinc/45/94/97/985459497.db2.gz NKVWHZNBNATKHX-UHFFFAOYSA-N 1 2 242.304 1.188 20 0 BDADLO COC(=[NH2+])c1cccc(-c2cnc(N)nc2)c1 ZINC001243875393 985540734 /nfs/dbraw/zinc/54/07/34/985540734.db2.gz MDZSNORYYMLKRY-UHFFFAOYSA-N 1 2 228.255 1.698 20 0 BDADLO C[C@@H](Cc1ccco1)[N@@H+]1CCn2nncc2C1 ZINC001258194152 985584960 /nfs/dbraw/zinc/58/49/60/985584960.db2.gz BWSZZYFURITXBW-JTQLQIEISA-N 1 2 232.287 1.318 20 0 BDADLO C[C@@H](Cc1ccco1)[N@H+]1CCn2nncc2C1 ZINC001258194152 985584974 /nfs/dbraw/zinc/58/49/74/985584974.db2.gz BWSZZYFURITXBW-JTQLQIEISA-N 1 2 232.287 1.318 20 0 BDADLO c1cnc(N2CCOCC2)c(C2=C[NH2+]CCC2)n1 ZINC001243948886 985638274 /nfs/dbraw/zinc/63/82/74/985638274.db2.gz FCHHXWWJZUKWAM-UHFFFAOYSA-N 1 2 246.314 1.038 20 0 BDADLO O=c1cc(C2=C[NH2+]CCC2)cnn1CC1CC1 ZINC001243952046 985656268 /nfs/dbraw/zinc/65/62/68/985656268.db2.gz NMDGXJVHHKEQQT-UHFFFAOYSA-N 1 2 231.299 1.378 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](CC)c1noc(C)n1 ZINC001459933479 985665913 /nfs/dbraw/zinc/66/59/13/985665913.db2.gz KUTBHLZJWFUDDD-VHSXEESVSA-N 1 2 227.308 1.580 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2nc(N)ncc2c1 ZINC001243990781 985725757 /nfs/dbraw/zinc/72/57/57/985725757.db2.gz HMCPPPARDPSHLS-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO COCC[N@H+](CC1=NOCC1)Cc1ccccn1 ZINC001460178995 985789613 /nfs/dbraw/zinc/78/96/13/985789613.db2.gz XGFHNPXPGUKLDC-UHFFFAOYSA-N 1 2 249.314 1.306 20 0 BDADLO COCC[N@@H+](CC1=NOCC1)Cc1ccccn1 ZINC001460178995 985789630 /nfs/dbraw/zinc/78/96/30/985789630.db2.gz XGFHNPXPGUKLDC-UHFFFAOYSA-N 1 2 249.314 1.306 20 0 BDADLO CC(C)C1(O)C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000689067073 985798314 /nfs/dbraw/zinc/79/83/14/985798314.db2.gz WMGUMJWVFSDCRQ-SECBINFHSA-N 1 2 235.274 1.113 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccno3)C2)n[nH]1 ZINC001460252928 985819940 /nfs/dbraw/zinc/81/99/40/985819940.db2.gz JNTFYPKMAFXWII-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccno3)C2)n[nH]1 ZINC001460252928 985819946 /nfs/dbraw/zinc/81/99/46/985819946.db2.gz JNTFYPKMAFXWII-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1ccc(Nc2cnc(N)nc2)c(C)[nH+]1 ZINC001212958839 985950624 /nfs/dbraw/zinc/95/06/24/985950624.db2.gz WGTDGNHGFNHZQN-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH+]1CC2(CCO2)C1 ZINC001258499858 985964787 /nfs/dbraw/zinc/96/47/87/985964787.db2.gz UMGNYWUMQBJVEA-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO Cn1c[nH+]c2cc(Nc3cnc(N)nc3)ccc21 ZINC001212964100 985974342 /nfs/dbraw/zinc/97/43/42/985974342.db2.gz DZKBDHBDYBXLRN-UHFFFAOYSA-N 1 2 240.270 1.689 20 0 BDADLO CC(=O)N[C@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001114825277 986007685 /nfs/dbraw/zinc/00/76/85/986007685.db2.gz HJZINMRQEVCHTJ-SECBINFHSA-N 1 2 236.319 1.502 20 0 BDADLO CC(=Cc1ccccc1)C[NH2+]Cc1c[nH]nn1 ZINC001461654359 986104876 /nfs/dbraw/zinc/10/48/76/986104876.db2.gz AQSQTSADSJZRQR-XFFZJAGNSA-N 1 2 228.299 1.998 20 0 BDADLO C[C@H]1CCCC[C@H]1C[NH2+]Cc1nnc(CO)[nH]1 ZINC001461840338 986189461 /nfs/dbraw/zinc/18/94/61/986189461.db2.gz CQEYZQDXIVPENN-UWVGGRQHSA-N 1 2 238.335 1.213 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@]1(C)CCCCO1 ZINC001462157716 986294064 /nfs/dbraw/zinc/29/40/64/986294064.db2.gz MSLAICMFPGMRAI-GFCCVEGCSA-N 1 2 223.320 1.801 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@]1(C)CCCCO1 ZINC001462157716 986294077 /nfs/dbraw/zinc/29/40/77/986294077.db2.gz MSLAICMFPGMRAI-GFCCVEGCSA-N 1 2 223.320 1.801 20 0 BDADLO Cc1[nH+]cc2n1CCN(C[C@@H](O)C(C)(C)C)C2 ZINC001253722000 986344036 /nfs/dbraw/zinc/34/40/36/986344036.db2.gz MCRZHAIACQELHA-GFCCVEGCSA-N 1 2 237.347 1.414 20 0 BDADLO CCCNC(=S)Nc1cc[nH+]c(C)c1 ZINC001244831286 986371522 /nfs/dbraw/zinc/37/15/22/986371522.db2.gz FBZIMIPPMBJRQI-UHFFFAOYSA-N 1 2 209.318 1.508 20 0 BDADLO CC(C)[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001253756628 986381702 /nfs/dbraw/zinc/38/17/02/986381702.db2.gz IEYLNGANSXQBKU-NSHDSACASA-N 1 2 219.288 1.763 20 0 BDADLO OC/C=C\C[NH2+]Cc1c(F)nccc1Cl ZINC001462419107 986384374 /nfs/dbraw/zinc/38/43/74/986384374.db2.gz QPVKMYLYRIZYKH-UPHRSURJSA-N 1 2 230.670 1.512 20 0 BDADLO CCCNC(=S)N1CCc2[nH+]ccn2CC1 ZINC001244874838 986414742 /nfs/dbraw/zinc/41/47/42/986414742.db2.gz KLQJCJOOYGULCQ-UHFFFAOYSA-N 1 2 238.360 1.026 20 0 BDADLO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cn[nH]n1 ZINC000398277293 986478345 /nfs/dbraw/zinc/47/83/45/986478345.db2.gz DNBAWAGHPMKXBI-VIFPVBQESA-N 1 2 234.278 1.665 20 0 BDADLO NC1(c2noc([C@@H]3CCCCC[NH2+]3)n2)CC1 ZINC001262167630 986540860 /nfs/dbraw/zinc/54/08/60/986540860.db2.gz UQHYAHFJVUFHRQ-QMMMGPOBSA-N 1 2 222.292 1.222 20 0 BDADLO CNc1cc(-c2ccc3nncn3c2)cc[nH+]1 ZINC001244972341 986547914 /nfs/dbraw/zinc/54/79/14/986547914.db2.gz FMSNCYTXRGZYDG-UHFFFAOYSA-N 1 2 225.255 1.833 20 0 BDADLO CNc1cc(-c2cnc3c(c2)OCCO3)cc[nH+]1 ZINC001244973339 986557383 /nfs/dbraw/zinc/55/73/83/986557383.db2.gz MWYIAVCMTQUTOZ-UHFFFAOYSA-N 1 2 243.266 1.957 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccccn1 ZINC001463901505 986587914 /nfs/dbraw/zinc/58/79/14/986587914.db2.gz XUCQPUSPHGGZHZ-SECBINFHSA-N 1 2 205.261 1.114 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccccn1 ZINC001463901505 986587924 /nfs/dbraw/zinc/58/79/24/986587924.db2.gz XUCQPUSPHGGZHZ-SECBINFHSA-N 1 2 205.261 1.114 20 0 BDADLO Cc1nc(N[C@@H](C)CNC(=O)C2CCC2)cc[nH+]1 ZINC001097668058 986629299 /nfs/dbraw/zinc/62/92/99/986629299.db2.gz LJAVMZFYUKPIDD-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO Cc1nc(N[C@H](C)CNC(=O)C2CC2)cc[nH+]1 ZINC001097668383 986630163 /nfs/dbraw/zinc/63/01/63/986630163.db2.gz NWFTXIILNJSMHP-MRVPVSSYSA-N 1 2 234.303 1.112 20 0 BDADLO Cc1nc(N[C@@H](C)CNC(=O)CC2CC2)cc[nH+]1 ZINC001097645675 986637350 /nfs/dbraw/zinc/63/73/50/986637350.db2.gz OJAFFEUADYATOS-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO COCNC(=O)c1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001245119207 986665594 /nfs/dbraw/zinc/66/55/94/986665594.db2.gz QHRRGVBLOZQYKF-JNKBEKGTSA-N 1 2 246.310 1.896 20 0 BDADLO Cc1c(CN2CCC(=O)CC2)[nH+]c2ccccn12 ZINC001137268558 986709415 /nfs/dbraw/zinc/70/94/15/986709415.db2.gz XASFCIGCEYASEU-UHFFFAOYSA-N 1 2 243.310 1.808 20 0 BDADLO Cc1c(CN2CCO[C@@H]3C[C@@H]32)[nH+]c2ccccn12 ZINC001137274457 986710470 /nfs/dbraw/zinc/71/04/70/986710470.db2.gz VRDNWOAVQJPJLF-QWHCGFSZSA-N 1 2 243.310 1.616 20 0 BDADLO O=S1(=O)CC=C(c2ccc3[nH+]ccn3c2)CC1 ZINC001245208540 986729986 /nfs/dbraw/zinc/72/99/86/986729986.db2.gz JZGGAZBXMIUOEF-UHFFFAOYSA-N 1 2 248.307 1.536 20 0 BDADLO Cc1cccc2nc(C[NH+]3CC(CO)C3)cn21 ZINC001137300565 986734116 /nfs/dbraw/zinc/73/41/16/986734116.db2.gz KWHXNGSLSYCRKK-UHFFFAOYSA-N 1 2 231.299 1.067 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCCC(=O)C3)n2c1 ZINC001137310015 986742149 /nfs/dbraw/zinc/74/21/49/986742149.db2.gz DJSSXJHKAZDZNB-UHFFFAOYSA-N 1 2 243.310 1.808 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC2(CCC2)C1 ZINC001465937867 986751802 /nfs/dbraw/zinc/75/18/02/986751802.db2.gz GFSPFTJPQSJGJQ-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO O=C1C[C@@H]2CC([N@H+]3C[C@@H](F)[C@@H](F)C3)C[C@H]2C1 ZINC001254944677 986752432 /nfs/dbraw/zinc/75/24/32/986752432.db2.gz CTPUMARSKAAWRZ-RJVLYZLMSA-N 1 2 229.270 1.736 20 0 BDADLO O=C1C[C@@H]2CC([N@@H+]3C[C@@H](F)[C@@H](F)C3)C[C@H]2C1 ZINC001254944677 986752443 /nfs/dbraw/zinc/75/24/43/986752443.db2.gz CTPUMARSKAAWRZ-RJVLYZLMSA-N 1 2 229.270 1.736 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1[nH]c(C)cc1C ZINC001137323033 986777446 /nfs/dbraw/zinc/77/74/46/986777446.db2.gz VMFSZCZCTZQCDP-LBPRGKRZSA-N 1 2 236.315 1.769 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1[nH]c(C)cc1C ZINC001137323033 986777456 /nfs/dbraw/zinc/77/74/56/986777456.db2.gz VMFSZCZCTZQCDP-LBPRGKRZSA-N 1 2 236.315 1.769 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC001255045208 986801561 /nfs/dbraw/zinc/80/15/61/986801561.db2.gz YSKJUPOYBJAZQY-VIFPVBQESA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+](C2CCOCC2)CCO1 ZINC001255045208 986801563 /nfs/dbraw/zinc/80/15/63/986801563.db2.gz YSKJUPOYBJAZQY-VIFPVBQESA-N 1 2 239.237 1.429 20 0 BDADLO C=C/C=C/CC(=O)NCCc1c[nH+]cn1C ZINC001466827632 986826993 /nfs/dbraw/zinc/82/69/93/986826993.db2.gz PZAVFRGZQAIRPV-SNAWJCMRSA-N 1 2 219.288 1.211 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001137372829 986838976 /nfs/dbraw/zinc/83/89/76/986838976.db2.gz HMHLHIKAUBHGTI-GMTAPVOTSA-N 1 2 231.299 1.738 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001137372829 986838981 /nfs/dbraw/zinc/83/89/81/986838981.db2.gz HMHLHIKAUBHGTI-GMTAPVOTSA-N 1 2 231.299 1.738 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001467286186 986840973 /nfs/dbraw/zinc/84/09/73/986840973.db2.gz CWTCWVAXFYWZEP-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)CCNC(=O)NCc1ccc[nH+]c1N ZINC001467623158 986860096 /nfs/dbraw/zinc/86/00/96/986860096.db2.gz STTFZBVFWODULT-UHFFFAOYSA-N 1 2 236.319 1.509 20 0 BDADLO COc1cc(-c2c[nH+]c(N)c(C)c2)nc(C)n1 ZINC001245534938 986911502 /nfs/dbraw/zinc/91/15/02/986911502.db2.gz BJMZFUKTIYHEND-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO Cc1cc(-c2ccc(N(C)C)nn2)c[nH+]c1N ZINC001245536614 986914423 /nfs/dbraw/zinc/91/44/23/986914423.db2.gz UULPQNUIMYIIEP-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO Cc1cc(-c2cnc(N)cn2)c[nH+]c1N ZINC001245538187 986919756 /nfs/dbraw/zinc/91/97/56/986919756.db2.gz XXSZYRMGLLAXDI-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO Cc1cc(-c2ccc([S@@](C)=O)cn2)c[nH+]c1N ZINC001245540356 986923651 /nfs/dbraw/zinc/92/36/51/986923651.db2.gz QATCXQWYFHJAJP-QGZVFWFLSA-N 1 2 247.323 1.772 20 0 BDADLO Cc1cc(-c2ccc(C(N)=O)c(F)c2)c[nH+]c1N ZINC001245540608 986924489 /nfs/dbraw/zinc/92/44/89/986924489.db2.gz WUVRJIZILPWHEI-UHFFFAOYSA-N 1 2 245.257 1.877 20 0 BDADLO COc1ncncc1-c1c[nH+]c(N)c(C)c1 ZINC001245539193 986926216 /nfs/dbraw/zinc/92/62/16/986926216.db2.gz UGPQQXAYMZUYEB-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO Cc1cc(C(N)=O)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245539406 986927450 /nfs/dbraw/zinc/92/74/50/986927450.db2.gz ZINLTWIZHFNTOK-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)c(=O)n(C)c1 ZINC001245541218 986929454 /nfs/dbraw/zinc/92/94/54/986929454.db2.gz NWKHMJSQPCNLCE-UHFFFAOYSA-N 1 2 229.283 1.646 20 0 BDADLO Cc1cc(-c2cncc3nnoc32)c[nH+]c1N ZINC001245541688 986931676 /nfs/dbraw/zinc/93/16/76/986931676.db2.gz VPMKWSJEXSDTGU-UHFFFAOYSA-N 1 2 227.227 1.570 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc2c(c1)NCCO2 ZINC001245550416 986940104 /nfs/dbraw/zinc/94/01/04/986940104.db2.gz XPJHBDVFZLFOAU-QIAUARBPSA-N 1 2 217.272 1.762 20 0 BDADLO C[C@H](N[C@@H]1CCC[N@H+](C)C1)c1ccno1 ZINC001255480608 986979874 /nfs/dbraw/zinc/97/98/74/986979874.db2.gz YLVVJFTWSFVZQG-VHSXEESVSA-N 1 2 209.293 1.419 20 0 BDADLO C[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccno1 ZINC001255480608 986979889 /nfs/dbraw/zinc/97/98/89/986979889.db2.gz YLVVJFTWSFVZQG-VHSXEESVSA-N 1 2 209.293 1.419 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC001245644378 987012955 /nfs/dbraw/zinc/01/29/55/987012955.db2.gz MRROXWCRLYZVMO-NSHDSACASA-N 1 2 245.282 1.042 20 0 BDADLO Cc1nc(NC(=O)CCc2[nH]cc[nH+]2)oc1C ZINC001470257481 987034245 /nfs/dbraw/zinc/03/42/45/987034245.db2.gz UAQVJSJZLOJEBI-UHFFFAOYSA-N 1 2 234.259 1.586 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH+]1CC(N2CC(F)C2)C1 ZINC001255645500 987040514 /nfs/dbraw/zinc/04/05/14/987040514.db2.gz FKNAKRKPJTVRGE-ZETCQYMHSA-N 1 2 240.244 1.665 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCO[C@@H](CO)C1 ZINC001255646323 987042117 /nfs/dbraw/zinc/04/21/17/987042117.db2.gz NHSQGDOFNDVDBI-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CCO[C@@H](CO)C1 ZINC001255646323 987042124 /nfs/dbraw/zinc/04/21/24/987042124.db2.gz NHSQGDOFNDVDBI-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO [NH3+]Cc1cc(=O)n([C@@H]2CCc3ccccc32)[nH]1 ZINC001245923971 987164746 /nfs/dbraw/zinc/16/47/46/987164746.db2.gz LKTJWUIHLBPECV-GFCCVEGCSA-N 1 2 229.283 1.583 20 0 BDADLO Cc1nc(NCCN(C)C(=O)C2CC2)cc[nH+]1 ZINC001101497358 987187383 /nfs/dbraw/zinc/18/73/83/987187383.db2.gz DUPLVXLWVVAJOP-UHFFFAOYSA-N 1 2 234.303 1.065 20 0 BDADLO CCc1cn(CC2CCS(=O)(=O)CC2)c[nH+]1 ZINC001473086891 987329368 /nfs/dbraw/zinc/32/93/68/987329368.db2.gz CFMWBBLECBSAIG-UHFFFAOYSA-N 1 2 242.344 1.270 20 0 BDADLO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)ccn1 ZINC000697770478 987363873 /nfs/dbraw/zinc/36/38/73/987363873.db2.gz JQHHJEGOLSHMCX-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC001473289034 987391174 /nfs/dbraw/zinc/39/11/74/987391174.db2.gz GBYUYSOEXIHADV-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC001473289034 987391178 /nfs/dbraw/zinc/39/11/78/987391178.db2.gz GBYUYSOEXIHADV-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO CC[C@@H]([NH2+]CCOCCOC)c1noc(C)n1 ZINC001473368152 987406950 /nfs/dbraw/zinc/40/69/50/987406950.db2.gz KMYGJXYVHIQQGJ-SNVBAGLBSA-N 1 2 243.307 1.082 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC001473542489 987475897 /nfs/dbraw/zinc/47/58/97/987475897.db2.gz URCDRMRJWSTMEU-NTZNESFSSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC001473542489 987475906 /nfs/dbraw/zinc/47/59/06/987475906.db2.gz URCDRMRJWSTMEU-NTZNESFSSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC001473542483 987475931 /nfs/dbraw/zinc/47/59/31/987475931.db2.gz URCDRMRJWSTMEU-GMXVVIOVSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC001473542483 987475941 /nfs/dbraw/zinc/47/59/41/987475941.db2.gz URCDRMRJWSTMEU-GMXVVIOVSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC001473542486 987477089 /nfs/dbraw/zinc/47/70/89/987477089.db2.gz URCDRMRJWSTMEU-GVXVVHGQSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC001473542486 987477097 /nfs/dbraw/zinc/47/70/97/987477097.db2.gz URCDRMRJWSTMEU-GVXVVHGQSA-N 1 2 236.315 1.224 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2nncn2C)c(C)n1 ZINC001116291164 987510319 /nfs/dbraw/zinc/51/03/19/987510319.db2.gz IREZCTNANZHVAA-QMMMGPOBSA-N 1 2 246.318 1.073 20 0 BDADLO C[C@@H](C(=O)N1CCOCC12CCC2)n1cc[nH+]c1 ZINC001116344504 987524649 /nfs/dbraw/zinc/52/46/49/987524649.db2.gz YLUFPHYTLKTEDF-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1CF)c1nnnn1C ZINC001473861129 987594012 /nfs/dbraw/zinc/59/40/12/987594012.db2.gz PANSUAYDYSUQBV-VIFPVBQESA-N 1 2 249.293 1.530 20 0 BDADLO COc1cc(C)[nH+]c(CS[C@@H](C)C(N)=O)c1 ZINC001116495068 987605237 /nfs/dbraw/zinc/60/52/37/987605237.db2.gz PQXNPNCXGJRBPR-QMMMGPOBSA-N 1 2 240.328 1.506 20 0 BDADLO Cn1cc2cccc(CN[C@H]3CCC[NH2+]C3)c2n1 ZINC001246217662 987616333 /nfs/dbraw/zinc/61/63/33/987616333.db2.gz LSJPDYSRJIGRLU-ZDUSSCGKSA-N 1 2 244.342 1.415 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116639563 987655047 /nfs/dbraw/zinc/65/50/47/987655047.db2.gz NOCWPGJJYHTLKI-PWSUYJOCSA-N 1 2 239.319 1.111 20 0 BDADLO Cc1cc(CNc2c[nH]nn2)c2c([nH+]1)CCCC2 ZINC001474292967 987678600 /nfs/dbraw/zinc/67/86/00/987678600.db2.gz JWYWXOVUWGWKEG-UHFFFAOYSA-N 1 2 243.314 1.999 20 0 BDADLO Nc1ncccc1C[NH2+]Cc1ncccc1F ZINC001474493947 987736726 /nfs/dbraw/zinc/73/67/26/987736726.db2.gz FXNVGGGVZIUXJH-UHFFFAOYSA-N 1 2 232.262 1.488 20 0 BDADLO Nc1[nH+]cccc1CNc1cc(CO)ccn1 ZINC001474590540 987772200 /nfs/dbraw/zinc/77/22/00/987772200.db2.gz CKGQRKOLFDONCO-UHFFFAOYSA-N 1 2 230.271 1.163 20 0 BDADLO Cc1noc(C2CC([NH2+][C@H](C)C(F)F)C2)n1 ZINC001474681824 987797974 /nfs/dbraw/zinc/79/79/74/987797974.db2.gz OQIGYEGPJPTFTK-LDXLETFUSA-N 1 2 231.246 1.867 20 0 BDADLO CCn1ccc(C[N@@H+]2CCn3cccc3C2)n1 ZINC001474701329 987802733 /nfs/dbraw/zinc/80/27/33/987802733.db2.gz GHCSKDBSCYUKCC-UHFFFAOYSA-N 1 2 230.315 1.720 20 0 BDADLO CCn1ccc(C[N@H+]2CCn3cccc3C2)n1 ZINC001474701329 987802734 /nfs/dbraw/zinc/80/27/34/987802734.db2.gz GHCSKDBSCYUKCC-UHFFFAOYSA-N 1 2 230.315 1.720 20 0 BDADLO C[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CC2(F)F)C1 ZINC001246461424 987818642 /nfs/dbraw/zinc/81/86/42/987818642.db2.gz PRKTVJOBLPIJNR-UTLUCORTSA-N 1 2 218.291 1.762 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+][C@H]2CNCC2(F)F)C1 ZINC001246461424 987818647 /nfs/dbraw/zinc/81/86/47/987818647.db2.gz PRKTVJOBLPIJNR-UTLUCORTSA-N 1 2 218.291 1.762 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccnc2N(C)C)CCO1 ZINC001117614296 987848556 /nfs/dbraw/zinc/84/85/56/987848556.db2.gz MXAPKLNQBHYBIW-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccnc2N(C)C)CCO1 ZINC001117614296 987848559 /nfs/dbraw/zinc/84/85/59/987848559.db2.gz MXAPKLNQBHYBIW-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC001478482644 987876670 /nfs/dbraw/zinc/87/66/70/987876670.db2.gz MSWVMOPLAABNEE-GMTAPVOTSA-N 1 2 248.330 1.248 20 0 BDADLO C[N@H+](CC(=O)NC1CC1)Cc1cccn1C1CC1 ZINC001117744143 987885531 /nfs/dbraw/zinc/88/55/31/987885531.db2.gz XAXCWQSWRYJURN-UHFFFAOYSA-N 1 2 247.342 1.533 20 0 BDADLO C[N@@H+](CC(=O)NC1CC1)Cc1cccn1C1CC1 ZINC001117744143 987885535 /nfs/dbraw/zinc/88/55/35/987885535.db2.gz XAXCWQSWRYJURN-UHFFFAOYSA-N 1 2 247.342 1.533 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cn(C)nn2)c(C)n1 ZINC001118233661 988134352 /nfs/dbraw/zinc/13/43/52/988134352.db2.gz UHGXOFHXEIRKOX-MRVPVSSYSA-N 1 2 246.318 1.073 20 0 BDADLO C/C(=C\c1nnc(C[NH+](C)C)o1)C1CC1 ZINC001322340863 988213679 /nfs/dbraw/zinc/21/36/79/988213679.db2.gz WWQBYVKGUOXVGI-SOFGYWHQSA-N 1 2 207.277 1.945 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2CC=CCC2)o1 ZINC001322338334 988214954 /nfs/dbraw/zinc/21/49/54/988214954.db2.gz BKCWVTPDUWKAEF-SECBINFHSA-N 1 2 207.277 1.955 20 0 BDADLO CC(=O)[C@@H](C)CCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC001118461941 988366776 /nfs/dbraw/zinc/36/67/76/988366776.db2.gz ZKLHLFMXWYDBCB-JQWIXIFHSA-N 1 2 243.347 1.731 20 0 BDADLO CCC[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001118495814 988382032 /nfs/dbraw/zinc/38/20/32/988382032.db2.gz DBUZMVUILZFVHY-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001118495814 988382043 /nfs/dbraw/zinc/38/20/43/988382043.db2.gz DBUZMVUILZFVHY-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO C[C@H](C(=O)NC1(C)CCOCC1)n1cc[nH+]c1 ZINC001322924490 988407540 /nfs/dbraw/zinc/40/75/40/988407540.db2.gz TYHBDKCUASMLIH-SNVBAGLBSA-N 1 2 237.303 1.129 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2CC2(Cl)Cl)o1 ZINC001322984834 988423788 /nfs/dbraw/zinc/42/37/88/988423788.db2.gz ZWZSKDALEUWECY-YFKPBYRVSA-N 1 2 236.102 1.792 20 0 BDADLO c1nnc(C[N@@H+]2CCCC3(CCCC3)C2)[nH]1 ZINC001118557253 988436284 /nfs/dbraw/zinc/43/62/84/988436284.db2.gz DXJKESLPBXHSNM-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO c1nnc(C[N@H+]2CCCC3(CCCC3)C2)[nH]1 ZINC001118557253 988436291 /nfs/dbraw/zinc/43/62/91/988436291.db2.gz DXJKESLPBXHSNM-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO CON(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001118676657 988495389 /nfs/dbraw/zinc/49/53/89/988495389.db2.gz BHVNIQOLYQOGHG-UHFFFAOYSA-N 1 2 211.265 1.072 20 0 BDADLO C[C@H](C(=O)N[C@H]1C=CCC1)n1cc[nH+]c1 ZINC001118724566 988527510 /nfs/dbraw/zinc/52/75/10/988527510.db2.gz BSGKRWQMANMACN-ZJUUUORDSA-N 1 2 205.261 1.279 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001323631410 988569231 /nfs/dbraw/zinc/56/92/31/988569231.db2.gz MENAETAGHUNLOB-VWYCJHECSA-N 1 2 221.304 1.701 20 0 BDADLO Cc1ncoc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001118794409 988601426 /nfs/dbraw/zinc/60/14/26/988601426.db2.gz XSTIJFSVWZHKKK-MRVPVSSYSA-N 1 2 232.243 1.054 20 0 BDADLO CCC[C@]1(CO)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001323777015 988612815 /nfs/dbraw/zinc/61/28/15/988612815.db2.gz GWNFHQAKQCKTGS-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO CCC[C@]1(CO)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001323777015 988612823 /nfs/dbraw/zinc/61/28/23/988612823.db2.gz GWNFHQAKQCKTGS-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO CC/C=C(\C)C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001323897178 988644901 /nfs/dbraw/zinc/64/49/01/988644901.db2.gz YVIJABWVOGFKDG-IZZDOVSWSA-N 1 2 240.347 1.132 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(F)F ZINC001548717620 988652035 /nfs/dbraw/zinc/65/20/35/988652035.db2.gz KOGXEWYNUGTBDA-YUMQZZPRSA-N 1 2 243.257 1.215 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](C)[C@@H](O)C2)[nH+]1 ZINC001548514270 988675962 /nfs/dbraw/zinc/67/59/62/988675962.db2.gz YNZFMKHFGLRUQC-KWQFWETISA-N 1 2 224.279 1.736 20 0 BDADLO Cn1cncc1C[NH2+][C@H]1CCCn2ccnc21 ZINC001118928163 988713536 /nfs/dbraw/zinc/71/35/36/988713536.db2.gz XGDGNYIPGTYCHU-NSHDSACASA-N 1 2 231.303 1.241 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001324316423 988794487 /nfs/dbraw/zinc/79/44/87/988794487.db2.gz CKHJNAXYJKQFLY-BIOMNHJASA-N 1 2 245.326 1.528 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccnn1C ZINC001119055329 988819917 /nfs/dbraw/zinc/81/99/17/988819917.db2.gz SASZWYSVYFIURM-ZJUUUORDSA-N 1 2 247.302 1.055 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1ccnn1C)n1cc[nH+]c1 ZINC001119055328 988821510 /nfs/dbraw/zinc/82/15/10/988821510.db2.gz SASZWYSVYFIURM-VHSXEESVSA-N 1 2 247.302 1.055 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)n[nH]1 ZINC001324376676 988823835 /nfs/dbraw/zinc/82/38/35/988823835.db2.gz CVZFQQNOWPWIIH-LBPRGKRZSA-N 1 2 239.363 1.947 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)n[nH]1 ZINC001324376676 988823838 /nfs/dbraw/zinc/82/38/38/988823838.db2.gz CVZFQQNOWPWIIH-LBPRGKRZSA-N 1 2 239.363 1.947 20 0 BDADLO Cc1cncc(-c2noc(Cc3c[nH]c[nH+]3)n2)c1 ZINC001247137429 988850257 /nfs/dbraw/zinc/85/02/57/988850257.db2.gz HVDNUMZOWRWRNL-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO Cn1c[nH+]c(Cc2nc(-c3cccnc3)no2)c1 ZINC001247241552 988853985 /nfs/dbraw/zinc/85/39/85/988853985.db2.gz BRRWTIUQMFLLEF-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO CCn1ncnc1C[NH2+]C(C)(C)CF ZINC001119301617 988906416 /nfs/dbraw/zinc/90/64/16/988906416.db2.gz FIOXNQQCMSFVFU-UHFFFAOYSA-N 1 2 200.261 1.136 20 0 BDADLO [NH3+][C@@H](CO)c1nc(-c2cccc3ccoc32)no1 ZINC001247608043 988946713 /nfs/dbraw/zinc/94/67/13/988946713.db2.gz GGSNDYPAQWVDFB-VIFPVBQESA-N 1 2 245.238 1.475 20 0 BDADLO C[N@H+](CCCF)Cn1cc2[nH]cccc-2c1=O ZINC001119338398 988975470 /nfs/dbraw/zinc/97/54/70/988975470.db2.gz QFYSRQIRNPGLRP-UHFFFAOYSA-N 1 2 237.278 1.286 20 0 BDADLO C[N@@H+](CCCF)Cn1cc2[nH]cccc-2c1=O ZINC001119338398 988975499 /nfs/dbraw/zinc/97/54/99/988975499.db2.gz QFYSRQIRNPGLRP-UHFFFAOYSA-N 1 2 237.278 1.286 20 0 BDADLO Cc1coc(C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC001324785282 988979281 /nfs/dbraw/zinc/97/92/81/988979281.db2.gz QHKAQUBSUJHJAF-UHFFFAOYSA-N 1 2 233.271 1.592 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCOCC1 ZINC001324959133 989033053 /nfs/dbraw/zinc/03/30/53/989033053.db2.gz YPOVNEAARNGOIL-UHFFFAOYSA-N 1 2 245.282 1.197 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC001247961958 989053559 /nfs/dbraw/zinc/05/35/59/989053559.db2.gz WUWAIEIQNHPVPJ-APPZFPTMSA-N 1 2 234.259 1.166 20 0 BDADLO CCc1ncnc(Nc2[nH]cc(C)[nH+]2)c1F ZINC001515582642 989072087 /nfs/dbraw/zinc/07/20/87/989072087.db2.gz SBHJDEXJIZGKJG-UHFFFAOYSA-N 1 2 221.239 1.953 20 0 BDADLO C[N@H+](CCCF)Cc1nc(C2CC2)no1 ZINC001119442420 989075254 /nfs/dbraw/zinc/07/52/54/989075254.db2.gz VPOSDHWIBPTMKS-UHFFFAOYSA-N 1 2 213.256 1.738 20 0 BDADLO C[N@@H+](CCCF)Cc1nc(C2CC2)no1 ZINC001119442420 989075269 /nfs/dbraw/zinc/07/52/69/989075269.db2.gz VPOSDHWIBPTMKS-UHFFFAOYSA-N 1 2 213.256 1.738 20 0 BDADLO Cc1[nH]c(CNC(=O)C[C@@H]2C=CCC2)[nH+]c1C ZINC001119455619 989085520 /nfs/dbraw/zinc/08/55/20/989085520.db2.gz BPRKGGQNHHDAJM-LLVKDONJSA-N 1 2 233.315 1.999 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)[nH]n1 ZINC001119512592 989115626 /nfs/dbraw/zinc/11/56/26/989115626.db2.gz SLBKPYDWHNZLMJ-BDAKNGLRSA-N 1 2 237.303 1.427 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)[nH]n1 ZINC001119512592 989115634 /nfs/dbraw/zinc/11/56/34/989115634.db2.gz SLBKPYDWHNZLMJ-BDAKNGLRSA-N 1 2 237.303 1.427 20 0 BDADLO C[C@@H]1CC(C)(C)CN1c1cc(N)nc[nH+]1 ZINC001515832835 989119536 /nfs/dbraw/zinc/11/95/36/989119536.db2.gz UGADDLPTQVYLEF-MRVPVSSYSA-N 1 2 206.293 1.684 20 0 BDADLO CCc1ccc(NCCOC(=O)N(C)C)[nH+]c1 ZINC001515891747 989127264 /nfs/dbraw/zinc/12/72/64/989127264.db2.gz NCPLUHDYKDOGEW-UHFFFAOYSA-N 1 2 237.303 1.754 20 0 BDADLO Cn1c(=O)cccc1C[N@H+]1CCn2cccc2C1 ZINC001248808216 989166500 /nfs/dbraw/zinc/16/65/00/989166500.db2.gz WNCBPIKJJAEXHA-UHFFFAOYSA-N 1 2 243.310 1.203 20 0 BDADLO Cn1c(=O)cccc1C[N@@H+]1CCn2cccc2C1 ZINC001248808216 989166493 /nfs/dbraw/zinc/16/64/93/989166493.db2.gz WNCBPIKJJAEXHA-UHFFFAOYSA-N 1 2 243.310 1.203 20 0 BDADLO c1cc2n(c1C[NH+]1CCOCC1)CCC2 ZINC001248820679 989176164 /nfs/dbraw/zinc/17/61/64/989176164.db2.gz XVVBSRTYFFWKIN-UHFFFAOYSA-N 1 2 206.289 1.267 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248820861 989177235 /nfs/dbraw/zinc/17/72/35/989177235.db2.gz FZUQXNLGNSNHDB-ZDUSSCGKSA-N 1 2 248.326 1.572 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2n1CCC2 ZINC001248820861 989177242 /nfs/dbraw/zinc/17/72/42/989177242.db2.gz FZUQXNLGNSNHDB-ZDUSSCGKSA-N 1 2 248.326 1.572 20 0 BDADLO C[C@H](C(=O)N1CCC[C@H]2C[C@H]21)n1cc[nH+]c1 ZINC001119575011 989177399 /nfs/dbraw/zinc/17/73/99/989177399.db2.gz QCNFEEMRCBZHQW-OUAUKWLOSA-N 1 2 219.288 1.455 20 0 BDADLO CCN(Cc1ccc2n1CCC2)C1C[NH+](C)C1 ZINC001248825177 989191432 /nfs/dbraw/zinc/19/14/32/989191432.db2.gz SNDOEJLQBJUQAQ-UHFFFAOYSA-N 1 2 233.359 1.570 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001248859189 989197718 /nfs/dbraw/zinc/19/77/18/989197718.db2.gz FVCKKWGOQRVICT-LLVKDONJSA-N 1 2 223.276 1.133 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001248859189 989197722 /nfs/dbraw/zinc/19/77/22/989197722.db2.gz FVCKKWGOQRVICT-LLVKDONJSA-N 1 2 223.276 1.133 20 0 BDADLO C[C@H]1CC[N@@H+]1Cc1cnn2ccc(Cl)nc12 ZINC001248871093 989207491 /nfs/dbraw/zinc/20/74/91/989207491.db2.gz BAVQONUJHCMLTF-QMMMGPOBSA-N 1 2 236.706 1.977 20 0 BDADLO C[C@H]1CC[N@H+]1Cc1cnn2ccc(Cl)nc12 ZINC001248871093 989207502 /nfs/dbraw/zinc/20/75/02/989207502.db2.gz BAVQONUJHCMLTF-QMMMGPOBSA-N 1 2 236.706 1.977 20 0 BDADLO C[N@H+](CCF)Cc1cnn2ccc(Cl)nc12 ZINC001248879568 989210858 /nfs/dbraw/zinc/21/08/58/989210858.db2.gz BUYIUEDITFDGQT-UHFFFAOYSA-N 1 2 242.685 1.784 20 0 BDADLO C[N@@H+](CCF)Cc1cnn2ccc(Cl)nc12 ZINC001248879568 989210866 /nfs/dbraw/zinc/21/08/66/989210866.db2.gz BUYIUEDITFDGQT-UHFFFAOYSA-N 1 2 242.685 1.784 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)c(C)c1 ZINC001249072792 989249061 /nfs/dbraw/zinc/24/90/61/989249061.db2.gz BKFVZOQYWKFPEZ-ONGXEEELSA-N 1 2 247.298 1.734 20 0 BDADLO CC(C)(NC(=O)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC001119643341 989283875 /nfs/dbraw/zinc/28/38/75/989283875.db2.gz CSDDJXNULIWFTJ-UHFFFAOYSA-N 1 2 235.209 1.409 20 0 BDADLO Cn1cc(Nc2cc[nH+]cc2C(F)(F)F)nn1 ZINC001249584988 989320012 /nfs/dbraw/zinc/32/00/12/989320012.db2.gz SAVNWEQMRWMPMH-UHFFFAOYSA-N 1 2 243.192 1.394 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)nc1)c1nncn1C ZINC001119733126 989372737 /nfs/dbraw/zinc/37/27/37/989372737.db2.gz XVKLVBKVGKISHN-DTWKUNHWSA-N 1 2 249.293 1.761 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001519215664 989391080 /nfs/dbraw/zinc/39/10/80/989391080.db2.gz MTYFYIILPPURAU-QWRGUYRKSA-N 1 2 237.347 1.904 20 0 BDADLO CCN1CN(Cc2cc(C)cc(C)[nH+]2)CC1=O ZINC001119849062 989438663 /nfs/dbraw/zinc/43/86/63/989438663.db2.gz IEKMYKVUJDREEJ-UHFFFAOYSA-N 1 2 233.315 1.320 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001326325681 989496683 /nfs/dbraw/zinc/49/66/83/989496683.db2.gz MHKYMPHRJIKYDY-ZDUSSCGKSA-N 1 2 248.326 1.823 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001326325681 989496695 /nfs/dbraw/zinc/49/66/95/989496695.db2.gz MHKYMPHRJIKYDY-ZDUSSCGKSA-N 1 2 248.326 1.823 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1c(C)cnn1C ZINC001520439863 989563192 /nfs/dbraw/zinc/56/31/92/989563192.db2.gz AESAVJLUTQPHPW-UHFFFAOYSA-N 1 2 248.286 1.302 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCCc2[nH+]ccn2C)CC1 ZINC001520632487 989583737 /nfs/dbraw/zinc/58/37/37/989583737.db2.gz MHMZNNBQUDUHEN-LLVKDONJSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1csc(C[NH2+]Cc2ccc(N)nn2)n1 ZINC001120269394 989625148 /nfs/dbraw/zinc/62/51/48/989625148.db2.gz RXQOCOQSSOORFT-UHFFFAOYSA-N 1 2 235.316 1.114 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)[nH]n1 ZINC001326613971 989629239 /nfs/dbraw/zinc/62/92/39/989629239.db2.gz LOTAQBSZSOLHBG-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)[nH]n1 ZINC001326613971 989629244 /nfs/dbraw/zinc/62/92/44/989629244.db2.gz LOTAQBSZSOLHBG-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001521280145 989662472 /nfs/dbraw/zinc/66/24/72/989662472.db2.gz TZQQGPHCDNBYHI-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001521646692 989766779 /nfs/dbraw/zinc/76/67/79/989766779.db2.gz SGDJGZNAVOVPLD-SNVBAGLBSA-N 1 2 244.298 1.059 20 0 BDADLO CC[C@H](F)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001120597230 989773539 /nfs/dbraw/zinc/77/35/39/989773539.db2.gz HTNCJLWSYIHFAS-NSHDSACASA-N 1 2 239.294 1.795 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/C2CCOCC2)o1 ZINC001326941309 989780530 /nfs/dbraw/zinc/78/05/30/989780530.db2.gz PVMFTLXWNBOXBG-ONEGZZNKSA-N 1 2 237.303 1.571 20 0 BDADLO CCc1occc1C(=O)NCCc1[nH+]ccn1C ZINC001522020210 989823155 /nfs/dbraw/zinc/82/31/55/989823155.db2.gz TVVUYGZLXFDJTN-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001120753961 989865896 /nfs/dbraw/zinc/86/58/96/989865896.db2.gz ATDOLOWXQQBKHM-HBNTYKKESA-N 1 2 221.304 1.749 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1(C)CC1 ZINC001120805948 989892746 /nfs/dbraw/zinc/89/27/46/989892746.db2.gz OWZXYIYWHRYNAB-QWRGUYRKSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1(C)CC1 ZINC001120805946 989892918 /nfs/dbraw/zinc/89/29/18/989892918.db2.gz OWZXYIYWHRYNAB-GHMZBOCLSA-N 1 2 247.342 1.750 20 0 BDADLO COC1CCC(N(C)c2cc(N)nc[nH+]2)CC1 ZINC001120817242 989899693 /nfs/dbraw/zinc/89/96/93/989899693.db2.gz UHYUOQJXKZMISD-UHFFFAOYSA-N 1 2 236.319 1.453 20 0 BDADLO Cc1noc(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC001120820297 989904475 /nfs/dbraw/zinc/90/44/75/989904475.db2.gz CSUSZZLMIJEAEN-UHFFFAOYSA-N 1 2 233.275 1.485 20 0 BDADLO Cc1cc(F)cc(N2CC[C@](C)(O)C2)[nH+]1 ZINC001120821197 989905495 /nfs/dbraw/zinc/90/54/95/989905495.db2.gz JHFLYAVGDJSVMZ-NSHDSACASA-N 1 2 210.252 1.490 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@@H]2CCCO2)[nH+]cn1 ZINC001120845123 989918936 /nfs/dbraw/zinc/91/89/36/989918936.db2.gz LFTKTWYLKJCABG-ZJUUUORDSA-N 1 2 234.303 1.207 20 0 BDADLO C[C@@H](O)C(C)(C)CNc1cc[nH+]cc1F ZINC001120887756 989945423 /nfs/dbraw/zinc/94/54/23/989945423.db2.gz XPVWGDRXRAGZSE-MRVPVSSYSA-N 1 2 212.268 1.462 20 0 BDADLO CCc1ccc(N2C[C@@H](O)C3(CC3)C2)[nH+]c1 ZINC001120920907 989965205 /nfs/dbraw/zinc/96/52/05/989965205.db2.gz OSKOJSZJQMNGOY-LLVKDONJSA-N 1 2 218.300 1.605 20 0 BDADLO Cc1cc(F)cc(N(C)Cc2ccn(C)n2)[nH+]1 ZINC001120954148 989986011 /nfs/dbraw/zinc/98/60/11/989986011.db2.gz VKVRRKXPBQSKKK-UHFFFAOYSA-N 1 2 234.278 1.899 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCCc1cn(C)c[nH+]1 ZINC001524816003 990015272 /nfs/dbraw/zinc/01/52/72/990015272.db2.gz LCVUEXGZOYBEDD-SNVBAGLBSA-N 1 2 227.283 1.073 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1CC12CC2 ZINC001525846488 990080151 /nfs/dbraw/zinc/08/01/51/990080151.db2.gz AOLIUAJKCMPLFP-LLVKDONJSA-N 1 2 234.299 1.696 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)COC(F)F ZINC001525846481 990081048 /nfs/dbraw/zinc/08/10/48/990081048.db2.gz ANELGBHEFCPKFT-UHFFFAOYSA-N 1 2 248.229 1.135 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC(F)F ZINC001121844394 990096559 /nfs/dbraw/zinc/09/65/59/990096559.db2.gz FFYDCMVIQDGNFR-MRVPVSSYSA-N 1 2 246.261 1.226 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1cc(F)ccc1O)C(F)F ZINC001122038230 990204911 /nfs/dbraw/zinc/20/49/11/990204911.db2.gz DRDHBMSASFUHOY-ZCFIWIBFSA-N 1 2 248.204 1.452 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccnn1C1CC1)C(F)F ZINC001122297417 990327209 /nfs/dbraw/zinc/32/72/09/990327209.db2.gz LEILBQWJEYDCOQ-SSDOTTSWSA-N 1 2 244.245 1.139 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCCSC1 ZINC001529075516 990328735 /nfs/dbraw/zinc/32/87/35/990328735.db2.gz BFXAPZFUUZQWQT-UHFFFAOYSA-N 1 2 239.344 1.276 20 0 BDADLO Cc1conc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001529432169 990349646 /nfs/dbraw/zinc/34/96/46/990349646.db2.gz ICBQSNWQXYLKLL-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001122623244 990426423 /nfs/dbraw/zinc/42/64/23/990426423.db2.gz BDUAHDOOXAVXBB-QMMMGPOBSA-N 1 2 242.348 1.105 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OC1CSC1 ZINC001123293922 990542722 /nfs/dbraw/zinc/54/27/22/990542722.db2.gz ANXJVYHVDRGUSH-JTQLQIEISA-N 1 2 229.345 1.519 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OC1CSC1 ZINC001123293922 990542718 /nfs/dbraw/zinc/54/27/18/990542718.db2.gz ANXJVYHVDRGUSH-JTQLQIEISA-N 1 2 229.345 1.519 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001123574398 990617884 /nfs/dbraw/zinc/61/78/84/990617884.db2.gz XIBQAIPISKLYOV-TXEJJXNPSA-N 1 2 249.358 1.857 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cn1 ZINC001123668414 990643243 /nfs/dbraw/zinc/64/32/43/990643243.db2.gz AVLAQULCYNJEHH-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1F ZINC001123759779 990661612 /nfs/dbraw/zinc/66/16/12/990661612.db2.gz GNVPZCLWZJJKKT-ZJUUUORDSA-N 1 2 225.267 1.090 20 0 BDADLO CSc1ccc(NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001543375155 990688619 /nfs/dbraw/zinc/68/86/19/990688619.db2.gz MMCQHFIOZDBWMM-UHFFFAOYSA-N 1 2 248.311 1.708 20 0 BDADLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC001543789306 990705084 /nfs/dbraw/zinc/70/50/84/990705084.db2.gz OLKYYCLCVXDFJJ-MWLCHTKSSA-N 1 2 249.314 1.074 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001124015162 990732982 /nfs/dbraw/zinc/73/29/82/990732982.db2.gz UGHVTGLLSSKYSD-NWDGAFQWSA-N 1 2 247.342 1.515 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@]1(C)CC1(F)F ZINC001124020569 990735460 /nfs/dbraw/zinc/73/54/60/990735460.db2.gz PZDSRXDUEXIJLK-SNVBAGLBSA-N 1 2 243.257 1.124 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C)nc1C ZINC001545393052 990751890 /nfs/dbraw/zinc/75/18/90/990751890.db2.gz MLGBMSHNTIOCHJ-LBPRGKRZSA-N 1 2 233.315 1.731 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C)nc1C ZINC001545393052 990751895 /nfs/dbraw/zinc/75/18/95/990751895.db2.gz MLGBMSHNTIOCHJ-LBPRGKRZSA-N 1 2 233.315 1.731 20 0 BDADLO C/C=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000211187748 990809810 /nfs/dbraw/zinc/80/98/10/990809810.db2.gz KAWAYJYLJSPYMJ-DJWKRKHSSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1ncsc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001556217914 990811772 /nfs/dbraw/zinc/81/17/72/990811772.db2.gz OMMAUJKYHQMWIC-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH+]1CC=CC1 ZINC001137745264 990846988 /nfs/dbraw/zinc/84/69/88/990846988.db2.gz MBUBKFKQIKJCFD-UHFFFAOYSA-N 1 2 211.696 1.754 20 0 BDADLO CC(=O)Oc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001138038789 990878697 /nfs/dbraw/zinc/87/86/97/990878697.db2.gz YPJNAUKVBSQWFC-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO CC(=O)Oc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001138038789 990878699 /nfs/dbraw/zinc/87/86/99/990878699.db2.gz YPJNAUKVBSQWFC-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO CC(=O)Oc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001138038790 990878826 /nfs/dbraw/zinc/87/88/26/990878826.db2.gz YPJNAUKVBSQWFC-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO CC(=O)Oc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001138038790 990878831 /nfs/dbraw/zinc/87/88/31/990878831.db2.gz YPJNAUKVBSQWFC-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCn2cccc2C1 ZINC001138394638 990931282 /nfs/dbraw/zinc/93/12/82/990931282.db2.gz HHIUSQZPNPAWLD-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO Oc1cccnc1C[N@H+]1CCn2cccc2C1 ZINC001138394638 990931286 /nfs/dbraw/zinc/93/12/86/990931286.db2.gz HHIUSQZPNPAWLD-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO C=C/C=C\CC(=O)NCCc1[nH+]ccn1C ZINC001558288132 990933771 /nfs/dbraw/zinc/93/37/71/990933771.db2.gz ADEBCNSQHAYJBV-PLNGDYQASA-N 1 2 219.288 1.211 20 0 BDADLO Cc1c2ccccc2[nH]c1C[NH+]1CC(O)C1 ZINC001138397052 990936395 /nfs/dbraw/zinc/93/63/95/990936395.db2.gz KNXHYSJBFTZSQD-UHFFFAOYSA-N 1 2 216.284 1.653 20 0 BDADLO CCCCOC1C[NH+](Cc2ncccc2O)C1 ZINC001138394662 990937800 /nfs/dbraw/zinc/93/78/00/990937800.db2.gz IYCJYQJABVPQEF-UHFFFAOYSA-N 1 2 236.315 1.788 20 0 BDADLO C[N@H+](Cc1ncccc1O)C1(C)COC1 ZINC001138394511 990938585 /nfs/dbraw/zinc/93/85/85/990938585.db2.gz UTOWBSQVPJRAMB-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO C[N@@H+](Cc1ncccc1O)C1(C)COC1 ZINC001138394511 990938588 /nfs/dbraw/zinc/93/85/88/990938588.db2.gz UTOWBSQVPJRAMB-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO COc1cc[nH+]cc1NCc1cc[nH]c(=O)c1 ZINC001308340534 990969616 /nfs/dbraw/zinc/96/96/16/990969616.db2.gz WERIKGMBECSVAR-UHFFFAOYSA-N 1 2 231.255 1.803 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@@H](C)O ZINC001258150894 991033332 /nfs/dbraw/zinc/03/33/32/991033332.db2.gz CEMUXZIKWMVUFE-LVEVGFFFSA-N 1 2 243.347 1.323 20 0 BDADLO CNc1ccc(Nc2ncc(C=O)cn2)c[nH+]1 ZINC001559142215 991043758 /nfs/dbraw/zinc/04/37/58/991043758.db2.gz YPBDEYWRMXPCOY-UHFFFAOYSA-N 1 2 229.243 1.469 20 0 BDADLO CCc1ncc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC001308606979 991060717 /nfs/dbraw/zinc/06/07/17/991060717.db2.gz FZCBHHXBTACZNX-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO CCc1ncc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC001308606979 991060724 /nfs/dbraw/zinc/06/07/24/991060724.db2.gz FZCBHHXBTACZNX-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO CCc1[nH]c(CNc2cc(C)nc(OC)n2)c[nH+]1 ZINC001559289926 991066924 /nfs/dbraw/zinc/06/69/24/991066924.db2.gz AVEHHVSWROWXCM-UHFFFAOYSA-N 1 2 247.302 1.691 20 0 BDADLO CCc1[nH]cc(CNc2cc(C)nc(OC)n2)[nH+]1 ZINC001559289926 991066931 /nfs/dbraw/zinc/06/69/31/991066931.db2.gz AVEHHVSWROWXCM-UHFFFAOYSA-N 1 2 247.302 1.691 20 0 BDADLO CC[N@H+](Cc1ccnc(Cl)c1)C1COC1 ZINC001138820973 991068306 /nfs/dbraw/zinc/06/83/06/991068306.db2.gz RHJCAAQYHKBDGN-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CC[N@@H+](Cc1ccnc(Cl)c1)C1COC1 ZINC001138820973 991068313 /nfs/dbraw/zinc/06/83/13/991068313.db2.gz RHJCAAQYHKBDGN-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001138937456 991103158 /nfs/dbraw/zinc/10/31/58/991103158.db2.gz ZASWJSRFDHKFPQ-NXEZZACHSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001138937456 991103161 /nfs/dbraw/zinc/10/31/61/991103161.db2.gz ZASWJSRFDHKFPQ-NXEZZACHSA-N 1 2 207.277 1.081 20 0 BDADLO CCc1cn(Cn2cc(Cl)cn2)c[nH+]1 ZINC001559466634 991109855 /nfs/dbraw/zinc/10/98/55/991109855.db2.gz ZJTZKMSLTABGNS-UHFFFAOYSA-N 1 2 210.668 1.801 20 0 BDADLO CCc1cn(Cc2cnc(C(=O)OC)cn2)c[nH+]1 ZINC001559465930 991114158 /nfs/dbraw/zinc/11/41/58/991114158.db2.gz GUCJWOFDPROVJW-UHFFFAOYSA-N 1 2 246.270 1.070 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC3(CC3)C2)cn1 ZINC001139043161 991132148 /nfs/dbraw/zinc/13/21/48/991132148.db2.gz OUCUZFTXBYUJKO-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC3(CC3)C2)cn1 ZINC001139043161 991132152 /nfs/dbraw/zinc/13/21/52/991132152.db2.gz OUCUZFTXBYUJKO-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CSCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001258221775 991153753 /nfs/dbraw/zinc/15/37/53/991153753.db2.gz GJBJNBKCGPOACM-SECBINFHSA-N 1 2 225.361 1.877 20 0 BDADLO CSCC[C@@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001258221775 991153762 /nfs/dbraw/zinc/15/37/62/991153762.db2.gz GJBJNBKCGPOACM-SECBINFHSA-N 1 2 225.361 1.877 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc2nonc12 ZINC001139224750 991201453 /nfs/dbraw/zinc/20/14/53/991201453.db2.gz IGHMEASMBRVELH-GHMZBOCLSA-N 1 2 245.282 1.586 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc2nonc12 ZINC001139224750 991201466 /nfs/dbraw/zinc/20/14/66/991201466.db2.gz IGHMEASMBRVELH-GHMZBOCLSA-N 1 2 245.282 1.586 20 0 BDADLO O=C1CN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360593 991229933 /nfs/dbraw/zinc/22/99/33/991229933.db2.gz XZDDRPZXPJJERN-UHFFFAOYSA-N 1 2 227.267 1.257 20 0 BDADLO Nc1ncnc(Cl)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001139442965 991242452 /nfs/dbraw/zinc/24/24/52/991242452.db2.gz UTXCHTVZIIVLGZ-APPZFPTMSA-N 1 2 238.722 1.697 20 0 BDADLO Nc1ncnc(Cl)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001139442965 991242458 /nfs/dbraw/zinc/24/24/58/991242458.db2.gz UTXCHTVZIIVLGZ-APPZFPTMSA-N 1 2 238.722 1.697 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H]2C)c[nH+]1 ZINC001339411074 991262685 /nfs/dbraw/zinc/26/26/85/991262685.db2.gz WHZKZVRLRUEYSR-ONGXEEELSA-N 1 2 235.331 1.841 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)[C@@H]2C)s1 ZINC001559839578 991281558 /nfs/dbraw/zinc/28/15/58/991281558.db2.gz IHOOLBFUMGVYJM-IUCAKERBSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)[C@@H]2C)s1 ZINC001559839578 991281565 /nfs/dbraw/zinc/28/15/65/991281565.db2.gz IHOOLBFUMGVYJM-IUCAKERBSA-N 1 2 241.360 1.617 20 0 BDADLO CO[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001339795960 991292392 /nfs/dbraw/zinc/29/23/92/991292392.db2.gz VUUUWXOEYSZHCK-GWOFURMSSA-N 1 2 249.314 1.054 20 0 BDADLO CO[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001339795960 991292406 /nfs/dbraw/zinc/29/24/06/991292406.db2.gz VUUUWXOEYSZHCK-GWOFURMSSA-N 1 2 249.314 1.054 20 0 BDADLO CCOc1ccc(C[NH+]2CC(O)C2)cc1CC ZINC001139618650 991294397 /nfs/dbraw/zinc/29/43/97/991294397.db2.gz FKPUSHSEOMDJPW-UHFFFAOYSA-N 1 2 235.327 1.824 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H](C)CC1CC1)[C@@H](C)O ZINC001258450093 991397392 /nfs/dbraw/zinc/39/73/92/991397392.db2.gz GEAQHQHJUQRSAN-KKZNHRDASA-N 1 2 229.320 1.077 20 0 BDADLO COC(=O)[C@@]1([NH2+][C@@H](C)CC2CC2)CCOC1 ZINC001258458558 991415425 /nfs/dbraw/zinc/41/54/25/991415425.db2.gz UROOHWYTIAJOEG-JOYOIKCWSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H](C)CC1CC1 ZINC001258464478 991418104 /nfs/dbraw/zinc/41/81/04/991418104.db2.gz KRUYDCPYOVTJLN-GDPRMGEGSA-N 1 2 229.295 1.760 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@@H](C)CC1CC1 ZINC001258464478 991418111 /nfs/dbraw/zinc/41/81/11/991418111.db2.gz KRUYDCPYOVTJLN-GDPRMGEGSA-N 1 2 229.295 1.760 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1C ZINC001139934085 991427132 /nfs/dbraw/zinc/42/71/32/991427132.db2.gz CIAZXDAFWWZPOF-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1C ZINC001139934085 991427137 /nfs/dbraw/zinc/42/71/37/991427137.db2.gz CIAZXDAFWWZPOF-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO F[C@H]1CCCC[N@H+](Cc2cccnn2)C1 ZINC001139969978 991435213 /nfs/dbraw/zinc/43/52/13/991435213.db2.gz JJDXEMKQLPFIBD-JTQLQIEISA-N 1 2 209.268 1.801 20 0 BDADLO F[C@H]1CCCC[N@@H+](Cc2cccnn2)C1 ZINC001139969978 991435217 /nfs/dbraw/zinc/43/52/17/991435217.db2.gz JJDXEMKQLPFIBD-JTQLQIEISA-N 1 2 209.268 1.801 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+]([C@H]2CCOC2=O)CCO1 ZINC001560235765 991437311 /nfs/dbraw/zinc/43/73/11/991437311.db2.gz UZWYKJXLBYPTGA-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+]([C@H]2CCOC2=O)CCO1 ZINC001560235765 991437303 /nfs/dbraw/zinc/43/73/03/991437303.db2.gz UZWYKJXLBYPTGA-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccnn1 ZINC001139975396 991449234 /nfs/dbraw/zinc/44/92/34/991449234.db2.gz DMJODYZOTBWDNW-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccnn1 ZINC001139975396 991449237 /nfs/dbraw/zinc/44/92/37/991449237.db2.gz DMJODYZOTBWDNW-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO C[N@@H+](Cc1csc(Cl)n1)CC1COC1 ZINC001139978411 991449356 /nfs/dbraw/zinc/44/93/56/991449356.db2.gz ROLNVLMQHVSHOJ-UHFFFAOYSA-N 1 2 232.736 1.875 20 0 BDADLO C[N@H+](Cc1csc(Cl)n1)CC1COC1 ZINC001139978411 991449363 /nfs/dbraw/zinc/44/93/63/991449363.db2.gz ROLNVLMQHVSHOJ-UHFFFAOYSA-N 1 2 232.736 1.875 20 0 BDADLO O=c1oc2ccc(C[NH2+]Cc3ccon3)cc2o1 ZINC001560361760 991462090 /nfs/dbraw/zinc/46/20/90/991462090.db2.gz JUSVMMLIMJUFPZ-UHFFFAOYSA-N 1 2 246.222 1.664 20 0 BDADLO CCCOC1C[NH+]([C@@H](C)CCC(=O)OCC)C1 ZINC001258495514 991463071 /nfs/dbraw/zinc/46/30/71/991463071.db2.gz JBLUDRBKOZXTOT-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccnnc2)cn1 ZINC001139987134 991467126 /nfs/dbraw/zinc/46/71/26/991467126.db2.gz ZQKBCUMCUNMUNQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccnnc2)cn1 ZINC001139987134 991467130 /nfs/dbraw/zinc/46/71/30/991467130.db2.gz ZQKBCUMCUNMUNQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncccc2F)n(C)n1 ZINC001560461940 991480547 /nfs/dbraw/zinc/48/05/47/991480547.db2.gz YPFUOKDHCVZDLI-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C=Cn1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cn1 ZINC001560472261 991483538 /nfs/dbraw/zinc/48/35/38/991483538.db2.gz SKEWZYKKOGIYJD-JQWIXIFHSA-N 1 2 243.314 1.976 20 0 BDADLO COCC1C[NH+](Cc2ccnc(SC)n2)C1 ZINC001140033016 991489412 /nfs/dbraw/zinc/48/94/12/991489412.db2.gz NKFBNTYKGNRCGY-UHFFFAOYSA-N 1 2 239.344 1.277 20 0 BDADLO Nc1nccnc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140016081 991491538 /nfs/dbraw/zinc/49/15/38/991491538.db2.gz YCFPUYIZQPSNLU-ZETCQYMHSA-N 1 2 246.236 1.443 20 0 BDADLO Nc1nccnc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140016081 991491544 /nfs/dbraw/zinc/49/15/44/991491544.db2.gz YCFPUYIZQPSNLU-ZETCQYMHSA-N 1 2 246.236 1.443 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(O)ccc1F ZINC001140052820 991507225 /nfs/dbraw/zinc/50/72/25/991507225.db2.gz CFDZBJSPKPZYJX-JTQLQIEISA-N 1 2 225.263 1.752 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(O)ccc1F ZINC001140052820 991507234 /nfs/dbraw/zinc/50/72/34/991507234.db2.gz CFDZBJSPKPZYJX-JTQLQIEISA-N 1 2 225.263 1.752 20 0 BDADLO Oc1ccc(C[NH+]2CC3(COC3)C2)c(F)c1 ZINC001140125125 991525972 /nfs/dbraw/zinc/52/59/72/991525972.db2.gz PTVFKYFSRINCRL-UHFFFAOYSA-N 1 2 223.247 1.364 20 0 BDADLO C[C@@H](Cc1cccnc1)[N@@H+]1Cc2cncnc2C1 ZINC001258621845 991551337 /nfs/dbraw/zinc/55/13/37/991551337.db2.gz BLYALPIFLQCTKO-NSHDSACASA-N 1 2 240.310 1.818 20 0 BDADLO C[C@@H](Cc1cccnc1)[N@H+]1Cc2cncnc2C1 ZINC001258621845 991551348 /nfs/dbraw/zinc/55/13/48/991551348.db2.gz BLYALPIFLQCTKO-NSHDSACASA-N 1 2 240.310 1.818 20 0 BDADLO COC1C[NH+](Cc2cc(C)c(O)cc2C)C1 ZINC001140197124 991557401 /nfs/dbraw/zinc/55/74/01/991557401.db2.gz HPQYGENNCFZYPU-UHFFFAOYSA-N 1 2 221.300 1.840 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)NC[C@H]2C)c(C)cc1O ZINC001140202703 991560330 /nfs/dbraw/zinc/56/03/30/991560330.db2.gz VOYRAIKFGUCHBK-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)NC[C@H]2C)c(C)cc1O ZINC001140202703 991560335 /nfs/dbraw/zinc/56/03/35/991560335.db2.gz VOYRAIKFGUCHBK-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO CSc1ncc(C[NH+]2CC(C)C2)c(N)n1 ZINC001140249628 991571045 /nfs/dbraw/zinc/57/10/45/991571045.db2.gz GHKUYIAULMKDJG-UHFFFAOYSA-N 1 2 224.333 1.232 20 0 BDADLO Oc1cnccc1C[NH+]1CC2(C1)CCCO2 ZINC001140274005 991578767 /nfs/dbraw/zinc/57/87/67/991578767.db2.gz SOKHSXLLUAEHPO-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO CCCCC[C@@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC001560763007 991591939 /nfs/dbraw/zinc/59/19/39/991591939.db2.gz APSYLVAZXKOPRG-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cnn(C)c1C ZINC001560802906 991607974 /nfs/dbraw/zinc/60/79/74/991607974.db2.gz HSJILBBFTYFIEC-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO C[C@@H](Cc1ccno1)[NH2+]C(CF)CF ZINC001560848155 991620793 /nfs/dbraw/zinc/62/07/93/991620793.db2.gz FSGKRHUHXKMPDM-ZETCQYMHSA-N 1 2 204.220 1.503 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)Cc2ccno2)no1 ZINC001560862423 991629099 /nfs/dbraw/zinc/62/90/99/991629099.db2.gz NXLHVWJWFBUKQD-JGVFFNPUSA-N 1 2 236.275 1.648 20 0 BDADLO C[C@H](CC(=O)NCC1C[NH+](CCF)C1)C1CC1 ZINC001318176717 991632360 /nfs/dbraw/zinc/63/23/60/991632360.db2.gz POCGAGAVNMVHDK-SNVBAGLBSA-N 1 2 242.338 1.440 20 0 BDADLO CCc1nocc1C[NH+]1CC(C(F)F)C1 ZINC001560875798 991632604 /nfs/dbraw/zinc/63/26/04/991632604.db2.gz HBYFSRJAFMVGNX-UHFFFAOYSA-N 1 2 216.231 1.934 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cc[nH]n1 ZINC001318341921 991648254 /nfs/dbraw/zinc/64/82/54/991648254.db2.gz GAMRLCNHEONMAF-UHFFFAOYSA-N 1 2 219.248 1.025 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318491090 991665044 /nfs/dbraw/zinc/66/50/44/991665044.db2.gz NVYHFOIAVIDDNK-GHMZBOCLSA-N 1 2 221.304 1.845 20 0 BDADLO OCC1CC[NH+](CCNCc2ccoc2)CC1 ZINC001318560168 991680774 /nfs/dbraw/zinc/68/07/74/991680774.db2.gz FDVJLOYXIFRISW-UHFFFAOYSA-N 1 2 238.331 1.074 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)n1C ZINC001318771957 991708736 /nfs/dbraw/zinc/70/87/36/991708736.db2.gz KWFNDOWYVNNZBE-LLVKDONJSA-N 1 2 246.314 1.407 20 0 BDADLO C[C@@H](C(=O)NCCC(F)(F)F)n1cc[nH+]c1 ZINC001318752875 991712582 /nfs/dbraw/zinc/71/25/82/991712582.db2.gz QHUSTMLFZWUURO-ZETCQYMHSA-N 1 2 235.209 1.513 20 0 BDADLO CCCOC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001561987368 991733220 /nfs/dbraw/zinc/73/32/20/991733220.db2.gz AASHRDBMTJIUEG-UHFFFAOYSA-N 1 2 211.265 1.608 20 0 BDADLO CCCOC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001561987368 991733228 /nfs/dbraw/zinc/73/32/28/991733228.db2.gz AASHRDBMTJIUEG-UHFFFAOYSA-N 1 2 211.265 1.608 20 0 BDADLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)ccn1 ZINC001319024780 991766115 /nfs/dbraw/zinc/76/61/15/991766115.db2.gz BKXQLYHVDPZBEH-UHFFFAOYSA-N 1 2 243.266 1.468 20 0 BDADLO Cc1cncc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001566191241 991830310 /nfs/dbraw/zinc/83/03/10/991830310.db2.gz ULEUTNVEMKBNKD-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C(=O)CC2(C)C)C[C@H](C)O1 ZINC001319380927 991853387 /nfs/dbraw/zinc/85/33/87/991853387.db2.gz TZWPUZOPEGMUQW-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C(=O)CC2(C)C)C[C@H](C)O1 ZINC001319380927 991853391 /nfs/dbraw/zinc/85/33/91/991853391.db2.gz TZWPUZOPEGMUQW-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCC=C(F)C1 ZINC001566919035 991889089 /nfs/dbraw/zinc/88/90/89/991889089.db2.gz IXUFKFUBMQZJFL-UHFFFAOYSA-N 1 2 237.278 1.749 20 0 BDADLO C[C@@H](C(=O)NCC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001320516180 992227815 /nfs/dbraw/zinc/22/78/15/992227815.db2.gz MMFYYVKJUXRLOC-JTQLQIEISA-N 1 2 235.331 1.997 20 0 BDADLO C[C@@H](C(=O)N1CCCC2(CC2)C1)n1cc[nH+]c1 ZINC001320656674 992300654 /nfs/dbraw/zinc/30/06/54/992300654.db2.gz XCFAQBGMOKIWOI-NSHDSACASA-N 1 2 233.315 1.847 20 0 BDADLO O=C(Cc1ccncc1)N[C@H]1CCn2c[nH+]cc21 ZINC001261783669 992510887 /nfs/dbraw/zinc/51/08/87/992510887.db2.gz UHGDUTSCNSEKJE-NSHDSACASA-N 1 2 242.282 1.082 20 0 BDADLO CCCNc1cc(NCCc2cn[nH]c2)nc[nH+]1 ZINC001261850942 992544551 /nfs/dbraw/zinc/54/45/51/992544551.db2.gz CRUWHPNULKXRDL-UHFFFAOYSA-N 1 2 246.318 1.676 20 0 BDADLO CCCNc1cc(NCCc2cn[nH]c2)[nH+]cn1 ZINC001261850942 992544559 /nfs/dbraw/zinc/54/45/59/992544559.db2.gz CRUWHPNULKXRDL-UHFFFAOYSA-N 1 2 246.318 1.676 20 0 BDADLO CC1(O)C[NH+](Cc2cc3ccncc3s2)C1 ZINC001262011017 992598728 /nfs/dbraw/zinc/59/87/28/992598728.db2.gz VWNCEDCSLWPCMF-UHFFFAOYSA-N 1 2 234.324 1.863 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)N=S1(=O)CC[NH2+]CC1 ZINC001573672576 992671787 /nfs/dbraw/zinc/67/17/87/992671787.db2.gz JVSRRCJQKHHBLJ-NXEZZACHSA-N 1 2 246.376 1.266 20 0 BDADLO CO[C@H]1C[NH2+][C@@H](C(=O)O[C@H]2CCC[C@H](C)C2)C1 ZINC001574000943 992787952 /nfs/dbraw/zinc/78/79/52/992787952.db2.gz QXJUNYHWNZSDJS-NNYUYHANSA-N 1 2 241.331 1.485 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cnnn1C ZINC001262205074 992800113 /nfs/dbraw/zinc/80/01/13/992800113.db2.gz JTWNFPXDMJLMGY-NXEZZACHSA-N 1 2 248.334 1.443 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2cncn2C)nn1 ZINC001262205471 992802490 /nfs/dbraw/zinc/80/24/90/992802490.db2.gz UBXOULKVTDOCBX-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CC(C)n1cc([C@H](C)NCc2c[nH+]cn2C)nn1 ZINC001262205471 992802492 /nfs/dbraw/zinc/80/24/92/992802492.db2.gz UBXOULKVTDOCBX-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)OC ZINC001262275918 992819341 /nfs/dbraw/zinc/81/93/41/992819341.db2.gz PGLROBFTVPQXTQ-MRBYEJRBSA-N 1 2 243.347 1.731 20 0 BDADLO CCc1cc(NCc2nonc2C)nc(CC)[nH+]1 ZINC001262369869 992864739 /nfs/dbraw/zinc/86/47/39/992864739.db2.gz QIEJFDCMMUOKQB-UHFFFAOYSA-N 1 2 247.302 1.905 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC001262484321 992890988 /nfs/dbraw/zinc/89/09/88/992890988.db2.gz BJBLJJRVDFYYCD-VIFPVBQESA-N 1 2 231.303 1.369 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]1C(C)(C)C ZINC001262718028 993052300 /nfs/dbraw/zinc/05/23/00/993052300.db2.gz FBKNBFIDLHPUDS-JTQLQIEISA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1c[nH]nn1)C1CCCCC1 ZINC001575658508 993092242 /nfs/dbraw/zinc/09/22/42/993092242.db2.gz NYFXUJHIJCKKLS-BXKDBHETSA-N 1 2 238.335 1.397 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21)C(F)F ZINC001263246032 993182351 /nfs/dbraw/zinc/18/23/51/993182351.db2.gz DEGNLVYEUQOYPE-BZNPZCIMSA-N 1 2 232.274 1.274 20 0 BDADLO CC1(NC(=O)c2cccc(Cl)c2O)C[NH2+]C1 ZINC001576541753 993336982 /nfs/dbraw/zinc/33/69/82/993336982.db2.gz OYTVDLQYAOKFPS-UHFFFAOYSA-N 1 2 240.690 1.137 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCCOC ZINC001263662776 993449274 /nfs/dbraw/zinc/44/92/74/993449274.db2.gz LIJXEVLLVPOZNY-UHFFFAOYSA-N 1 2 226.276 1.373 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ocnc1C ZINC001263663193 993454577 /nfs/dbraw/zinc/45/45/77/993454577.db2.gz WXSDCDRNXZIJRF-UHFFFAOYSA-N 1 2 235.243 1.556 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CC(C)(C)OC ZINC001263663275 993455110 /nfs/dbraw/zinc/45/51/10/993455110.db2.gz ZGLGFALFJDRTEC-UHFFFAOYSA-N 1 2 240.303 1.761 20 0 BDADLO CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CC1(C)C ZINC001577153903 993517721 /nfs/dbraw/zinc/51/77/21/993517721.db2.gz UEWKDHWYIXOPPX-CIUDSAMLSA-N 1 2 248.317 1.910 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)C(C)(C)C ZINC001263918756 993602263 /nfs/dbraw/zinc/60/22/63/993602263.db2.gz SLFUHEVHYLYHJB-JTQLQIEISA-N 1 2 237.347 1.761 20 0 BDADLO C/C(=C/C(=O)NCCc1[nH+]ccn1C)C1CC1 ZINC001263973793 993632298 /nfs/dbraw/zinc/63/22/98/993632298.db2.gz LRDROWRXEUYRSO-KTKRTIGZSA-N 1 2 233.315 1.435 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(F)F ZINC001263997299 993642773 /nfs/dbraw/zinc/64/27/73/993642773.db2.gz LWXBOVXVBNTADS-SSDOTTSWSA-N 1 2 231.246 1.360 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(F)F ZINC001263997299 993642776 /nfs/dbraw/zinc/64/27/76/993642776.db2.gz LWXBOVXVBNTADS-SSDOTTSWSA-N 1 2 231.246 1.360 20 0 BDADLO Cn1c[nH+]cc1CNC(=S)NC1CCCC1 ZINC000388549292 993732564 /nfs/dbraw/zinc/73/25/64/993732564.db2.gz LMIIZWRAPHIOJP-UHFFFAOYSA-N 1 2 238.360 1.327 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1CC12CCCCC2)C(F)F ZINC000724704527 994071503 /nfs/dbraw/zinc/07/15/03/994071503.db2.gz TXSJVMNGMLFGEJ-RKDXNWHRSA-N 1 2 246.301 1.808 20 0 BDADLO CCn1c[nH+]cc1CN[C@H]1C[C@H](C)n2ncnc21 ZINC001333308548 994436970 /nfs/dbraw/zinc/43/69/70/994436970.db2.gz WYQOCGGHPPSTIP-ONGXEEELSA-N 1 2 246.318 1.290 20 0 BDADLO CC[C@H](CC(F)F)C(=O)NCCn1cc[nH+]c1 ZINC001290855204 994563982 /nfs/dbraw/zinc/56/39/82/994563982.db2.gz TVMRACPPFBUKIL-SECBINFHSA-N 1 2 245.273 1.681 20 0 BDADLO CC(C)OCc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC001334643851 994611052 /nfs/dbraw/zinc/61/10/52/994611052.db2.gz LZSNSJAYYPJOFW-ZJUUUORDSA-N 1 2 237.303 1.589 20 0 BDADLO CC(C)OCc1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC001334643851 994611060 /nfs/dbraw/zinc/61/10/60/994611060.db2.gz LZSNSJAYYPJOFW-ZJUUUORDSA-N 1 2 237.303 1.589 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC(=O)c1cccs1 ZINC001295125044 994738289 /nfs/dbraw/zinc/73/82/89/994738289.db2.gz FUSIFMBCLGLRKL-UHFFFAOYSA-N 1 2 249.295 1.013 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001296698960 994826398 /nfs/dbraw/zinc/82/63/98/994826398.db2.gz XCEIQNAVAVWVLM-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1 ZINC001299910889 994978436 /nfs/dbraw/zinc/97/84/36/994978436.db2.gz GECKYUMWSUUNTO-ATZCPNFKSA-N 1 2 248.330 1.566 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1 ZINC001299910889 994978460 /nfs/dbraw/zinc/97/84/60/994978460.db2.gz GECKYUMWSUUNTO-ATZCPNFKSA-N 1 2 248.330 1.566 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1nccc2cc[nH]c21 ZINC001300954732 995062163 /nfs/dbraw/zinc/06/21/63/995062163.db2.gz OZPZVWXNBKLSSG-JTQLQIEISA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1nccc2cc[nH]c21 ZINC001300954732 995062170 /nfs/dbraw/zinc/06/21/70/995062170.db2.gz OZPZVWXNBKLSSG-JTQLQIEISA-N 1 2 244.298 1.596 20 0 BDADLO CC(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304107097 995188890 /nfs/dbraw/zinc/18/88/90/995188890.db2.gz ZAWHCPLPZVLVKM-UHFFFAOYSA-N 1 2 209.293 1.805 20 0 BDADLO CC(C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304107097 995188894 /nfs/dbraw/zinc/18/88/94/995188894.db2.gz ZAWHCPLPZVLVKM-UHFFFAOYSA-N 1 2 209.293 1.805 20 0 BDADLO COCC=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304108295 995189486 /nfs/dbraw/zinc/18/94/86/995189486.db2.gz RIQLFUDSHHHYLV-PLNGDYQASA-N 1 2 237.303 1.352 20 0 BDADLO COC/C=C\C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304108295 995189492 /nfs/dbraw/zinc/18/94/92/995189492.db2.gz RIQLFUDSHHHYLV-PLNGDYQASA-N 1 2 237.303 1.352 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccnc1C1CC1 ZINC001304780897 995216708 /nfs/dbraw/zinc/21/67/08/995216708.db2.gz NFSPHMKATILDON-LBPRGKRZSA-N 1 2 245.326 1.992 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccnc1C1CC1 ZINC001304780897 995216717 /nfs/dbraw/zinc/21/67/17/995216717.db2.gz NFSPHMKATILDON-LBPRGKRZSA-N 1 2 245.326 1.992 20 0 BDADLO CCc1cn(C[C@@H]2CC3(CC3)C(=O)O2)c[nH+]1 ZINC001307397531 995344373 /nfs/dbraw/zinc/34/43/73/995344373.db2.gz RPQBJFIPDLLGIZ-JTQLQIEISA-N 1 2 220.272 1.541 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCn2nccc2C1 ZINC001307958307 995508405 /nfs/dbraw/zinc/50/84/05/995508405.db2.gz PECJXVBHFFGYEH-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCn2nccc2C1 ZINC001307958307 995508413 /nfs/dbraw/zinc/50/84/13/995508413.db2.gz PECJXVBHFFGYEH-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccoc2)n1 ZINC001308218467 995596992 /nfs/dbraw/zinc/59/69/92/995596992.db2.gz HZDRCXRQKNFMBT-UHFFFAOYSA-N 1 2 205.261 1.786 20 0 BDADLO CC1(C)C[N@H+](Cc2ccccc2C(=O)[O-])C[C@@H]1[NH3+] ZINC001593942658 996969958 /nfs/dbraw/zinc/96/99/58/996969958.db2.gz OSVACCBXAKSKQU-LBPRGKRZSA-N 1 2 248.326 1.554 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccccc2C(=O)[O-])C[C@@H]1[NH3+] ZINC001593942658 996969968 /nfs/dbraw/zinc/96/99/68/996969968.db2.gz OSVACCBXAKSKQU-LBPRGKRZSA-N 1 2 248.326 1.554 20 0 BDADLO Cc1cnccc1C[N@H+](C1CC1)C1COC1 ZINC000296004726 398136785 /nfs/dbraw/zinc/13/67/85/398136785.db2.gz LCDHEOWKZLNEKC-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cnccc1C[N@@H+](C1CC1)C1COC1 ZINC000296004726 398136786 /nfs/dbraw/zinc/13/67/86/398136786.db2.gz LCDHEOWKZLNEKC-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO CCCC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000605422198 343978500 /nfs/dbraw/zinc/97/85/00/343978500.db2.gz PBMALWUIRAKAKB-UHFFFAOYSA-N 1 2 237.351 1.031 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649863859 398145319 /nfs/dbraw/zinc/14/53/19/398145319.db2.gz RPYKDPOLXCTGJO-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649863859 398145323 /nfs/dbraw/zinc/14/53/23/398145323.db2.gz RPYKDPOLXCTGJO-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO Cc1ccnc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000336715312 187321745 /nfs/dbraw/zinc/32/17/45/187321745.db2.gz UOSRFUDTHXTTLJ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCC(CC)([NH2+]CCOC(C)C)C(=O)OC ZINC000309501636 168331186 /nfs/dbraw/zinc/33/11/86/168331186.db2.gz ZXKFSLJXDVQCJZ-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO CCC(CC)(NCCn1cc[nH+]c1)C(=O)OC ZINC000338376102 168331335 /nfs/dbraw/zinc/33/13/35/168331335.db2.gz KKTUWENYTSPLNC-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000649865746 398148329 /nfs/dbraw/zinc/14/83/29/398148329.db2.gz BKIGHDBHVPLDPF-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000649865746 398148330 /nfs/dbraw/zinc/14/83/30/398148330.db2.gz BKIGHDBHVPLDPF-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@H](N[C@@H](C)C(F)F)c1[nH+]ccn1C ZINC000389908853 398148625 /nfs/dbraw/zinc/14/86/25/398148625.db2.gz CZKHCCBEAQOFAZ-BQBZGAKWSA-N 1 2 203.236 1.724 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000389950076 398150914 /nfs/dbraw/zinc/15/09/14/398150914.db2.gz WTUVWKUBXSYTEC-RNFRBKRXSA-N 1 2 229.292 1.053 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1C ZINC000336662275 178008450 /nfs/dbraw/zinc/00/84/50/178008450.db2.gz IWEHBAHBOOROOB-PHIMTYICSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1C ZINC000336662275 178008453 /nfs/dbraw/zinc/00/84/53/178008453.db2.gz IWEHBAHBOOROOB-PHIMTYICSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(Cl)cnn2C)on1 ZINC000131218179 178024278 /nfs/dbraw/zinc/02/42/78/178024278.db2.gz JJDSJBREAVEYIR-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)no1 ZINC000519388943 398171217 /nfs/dbraw/zinc/17/12/17/398171217.db2.gz PIFYHJJMSDXNOZ-XHNCKOQMSA-N 1 2 243.307 1.026 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccon2)ncn1 ZINC000309793676 178030897 /nfs/dbraw/zinc/03/08/97/178030897.db2.gz PTDKFMSMTLTNLH-VIFPVBQESA-N 1 2 218.260 1.624 20 0 BDADLO Cc1cc(C[NH2+][C@H](CO)c2ccsc2)on1 ZINC000336727131 178038706 /nfs/dbraw/zinc/03/87/06/178038706.db2.gz GMRCTBHAXOWSRZ-LLVKDONJSA-N 1 2 238.312 1.868 20 0 BDADLO COc1ncc(C[NH2+]Cc2nccs2)s1 ZINC000379961911 398176428 /nfs/dbraw/zinc/17/64/28/398176428.db2.gz HEAVNPKRFSLIKK-UHFFFAOYSA-N 1 2 241.341 1.898 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1ncccn1)C2 ZINC000649908438 398183783 /nfs/dbraw/zinc/18/37/83/398183783.db2.gz OHQNSTVBOFNBAZ-SNVBAGLBSA-N 1 2 225.242 1.708 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1ncccn1)C2 ZINC000649908438 398183785 /nfs/dbraw/zinc/18/37/85/398183785.db2.gz OHQNSTVBOFNBAZ-SNVBAGLBSA-N 1 2 225.242 1.708 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CC=C(C)C ZINC000113003690 398179909 /nfs/dbraw/zinc/17/99/09/398179909.db2.gz QBRBQNAIXKQQII-NSHDSACASA-N 1 2 233.377 1.708 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CC=C(C)C ZINC000113003690 398179911 /nfs/dbraw/zinc/17/99/11/398179911.db2.gz QBRBQNAIXKQQII-NSHDSACASA-N 1 2 233.377 1.708 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC(=O)OC)[C@H](C)CC ZINC000411483436 398182779 /nfs/dbraw/zinc/18/27/79/398182779.db2.gz VKNOELKOWDJOJG-KOLCDFICSA-N 1 2 245.319 1.117 20 0 BDADLO CC(C)Cn1cc[nH+]c1CN1CCOCC1 ZINC000199460245 398193109 /nfs/dbraw/zinc/19/31/09/398193109.db2.gz IOPJXEJKFYPHEQ-UHFFFAOYSA-N 1 2 223.320 1.371 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000429280844 192026872 /nfs/dbraw/zinc/02/68/72/192026872.db2.gz SAVBZLNUBYBQAD-YPMHNXCESA-N 1 2 240.347 1.201 20 0 BDADLO CC[C@@H]1CC[N@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000429280844 192026874 /nfs/dbraw/zinc/02/68/74/192026874.db2.gz SAVBZLNUBYBQAD-YPMHNXCESA-N 1 2 240.347 1.201 20 0 BDADLO Cc1cc(N(C)CC[C@H]2CCCO2)nc[nH+]1 ZINC000302727984 178099116 /nfs/dbraw/zinc/09/91/16/178099116.db2.gz TULYLAITWBJSKQ-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO Cc1cc(N(C)Cc2nc[nH]n2)nc(C2CC2)[nH+]1 ZINC000176848745 178099980 /nfs/dbraw/zinc/09/99/80/178099980.db2.gz LISSSTHWYJZZGW-UHFFFAOYSA-N 1 2 244.302 1.417 20 0 BDADLO Cc1cc(N(C)Cc2nnc[nH]2)nc(C2CC2)[nH+]1 ZINC000176848745 178099981 /nfs/dbraw/zinc/09/99/81/178099981.db2.gz LISSSTHWYJZZGW-UHFFFAOYSA-N 1 2 244.302 1.417 20 0 BDADLO Cc1cc(N(C)[C@H](C)CO)nc(C2CC2)[nH+]1 ZINC000338485530 178100540 /nfs/dbraw/zinc/10/05/40/178100540.db2.gz SXDFEWUANKTJAC-SECBINFHSA-N 1 2 221.304 1.479 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649952271 398195292 /nfs/dbraw/zinc/19/52/92/398195292.db2.gz WIGODBSXEFGINS-VWYCJHECSA-N 1 2 239.319 1.374 20 0 BDADLO Cc1cc(N(CCCCO)C2CC2)nc[nH+]1 ZINC000301580194 178102355 /nfs/dbraw/zinc/10/23/55/178102355.db2.gz SFCKRKCBDIUEHP-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO Cc1cc(N(CCO)Cc2cccnc2)nc[nH+]1 ZINC000301412741 178102770 /nfs/dbraw/zinc/10/27/70/178102770.db2.gz ADHXXHLVLKYYOP-UHFFFAOYSA-N 1 2 244.298 1.179 20 0 BDADLO Cc1cc(N)nc(SCCC[C@@H](C)O)[nH+]1 ZINC000308859264 178109007 /nfs/dbraw/zinc/10/90/07/178109007.db2.gz UUDJKPBKVUVRQR-MRVPVSSYSA-N 1 2 227.333 1.620 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2CCOCO2)[nH+]1 ZINC000096470764 178109362 /nfs/dbraw/zinc/10/93/62/178109362.db2.gz LAPVYGABLJIKIN-QMMMGPOBSA-N 1 2 241.316 1.222 20 0 BDADLO Cc1cc(N2CCN(CC(C)C)C(=O)C2)nc[nH+]1 ZINC000302438709 178116564 /nfs/dbraw/zinc/11/65/64/178116564.db2.gz QAXMWEJGMCSYGJ-UHFFFAOYSA-N 1 2 248.330 1.090 20 0 BDADLO Cc1cc(N2CC[C@@H](C(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000301073522 178118010 /nfs/dbraw/zinc/11/80/10/178118010.db2.gz FHUSPYOPAGSGHX-SNVBAGLBSA-N 1 2 248.330 1.220 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000189872566 178118104 /nfs/dbraw/zinc/11/81/04/178118104.db2.gz CLSPFYZIPXPVII-SKDRFNHKSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2CC[C@](O)(C3CC3)C2)nc[nH+]1 ZINC000362843064 178119229 /nfs/dbraw/zinc/11/92/29/178119229.db2.gz ODEALPGAHKATBE-GFCCVEGCSA-N 1 2 219.288 1.136 20 0 BDADLO Cc1cc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)nc[nH+]1 ZINC000338830727 178122511 /nfs/dbraw/zinc/12/25/11/178122511.db2.gz PRUFFKCHLWRZHJ-UONOGXRCSA-N 1 2 245.326 1.933 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H](C)CO)cc[nH+]1 ZINC000271148901 178139146 /nfs/dbraw/zinc/13/91/46/178139146.db2.gz SJWZDXLCLHOVME-MRVPVSSYSA-N 1 2 223.276 1.140 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]cn2C)n[nH]1 ZINC000276606802 178128904 /nfs/dbraw/zinc/12/89/04/178128904.db2.gz RZFAFDQVZJDCFZ-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1cc(NC(=O)CCn2ccnn2)cc[nH+]1 ZINC000171805582 178130429 /nfs/dbraw/zinc/13/04/29/178130429.db2.gz KIOFKUODYNVGJM-UHFFFAOYSA-N 1 2 231.259 1.010 20 0 BDADLO Cc1cc(NC(=O)CN(C)c2cccc[nH+]2)no1 ZINC000048560262 178130636 /nfs/dbraw/zinc/13/06/36/178130636.db2.gz PUMDQALBYHIJMB-UHFFFAOYSA-N 1 2 246.270 1.453 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)n(C)n1 ZINC000293056652 178131321 /nfs/dbraw/zinc/13/13/21/178131321.db2.gz RXVXLSYCMYNRDD-SCZZXKLOSA-N 1 2 236.319 1.007 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)n(C)n1 ZINC000293056652 178131322 /nfs/dbraw/zinc/13/13/22/178131322.db2.gz RXVXLSYCMYNRDD-SCZZXKLOSA-N 1 2 236.319 1.007 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000331838363 187327625 /nfs/dbraw/zinc/32/76/25/187327625.db2.gz FRSBBYFUQLSRMR-SKDRFNHKSA-N 1 2 221.304 1.771 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000124696854 187327685 /nfs/dbraw/zinc/32/76/85/187327685.db2.gz YYIQLPLEFONDOE-QMMMGPOBSA-N 1 2 205.265 1.292 20 0 BDADLO Cc1cc(NC(=O)NOCC2CC2)cc[nH+]1 ZINC000297928917 178141267 /nfs/dbraw/zinc/14/12/67/178141267.db2.gz ZWXOKQKUQPRKHP-UHFFFAOYSA-N 1 2 221.260 1.853 20 0 BDADLO CCC(F)(F)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000624560620 398215230 /nfs/dbraw/zinc/21/52/30/398215230.db2.gz NSEIVFAVJGOPMM-UHFFFAOYSA-N 1 2 245.277 1.125 20 0 BDADLO CCC(F)(F)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000624560620 398215232 /nfs/dbraw/zinc/21/52/32/398215232.db2.gz NSEIVFAVJGOPMM-UHFFFAOYSA-N 1 2 245.277 1.125 20 0 BDADLO COc1ncncc1C[NH2+][C@H](C)c1ccccn1 ZINC000647167216 398215715 /nfs/dbraw/zinc/21/57/15/398215715.db2.gz XNMSRQOCOPXWGH-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO Cc1cc(NC(=O)[C@@](C)(O)C2CC2)cc[nH+]1 ZINC000286457745 178146583 /nfs/dbraw/zinc/14/65/83/178146583.db2.gz SBNCBKIVUKQIQE-LBPRGKRZSA-N 1 2 220.272 1.490 20 0 BDADLO Cc1cc(NC(=O)c2cnn(CCF)c2)cc[nH+]1 ZINC000289190114 178151143 /nfs/dbraw/zinc/15/11/43/178151143.db2.gz ZPBDPKZUTHBOCK-UHFFFAOYSA-N 1 2 248.261 1.808 20 0 BDADLO Cc1cc(NCC2(C)OCCCO2)nc[nH+]1 ZINC000302722368 178155891 /nfs/dbraw/zinc/15/58/91/178155891.db2.gz LWYCTLVFEQKNSS-UHFFFAOYSA-N 1 2 223.276 1.350 20 0 BDADLO COc1cccc([C@H](C)[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000175709599 365580377 /nfs/dbraw/zinc/58/03/77/365580377.db2.gz UDCTYRJJYNJPPZ-NSHDSACASA-N 1 2 248.326 1.530 20 0 BDADLO COc1cccc([C@H](C)[N@H+]2CCN(C)C(=O)C2)c1 ZINC000175709599 365580381 /nfs/dbraw/zinc/58/03/81/365580381.db2.gz UDCTYRJJYNJPPZ-NSHDSACASA-N 1 2 248.326 1.530 20 0 BDADLO Cc1cc(NCCCc2cnn(C)c2)nc[nH+]1 ZINC000301300783 178160046 /nfs/dbraw/zinc/16/00/46/178160046.db2.gz ZYFSECUMNOHRCD-UHFFFAOYSA-N 1 2 231.303 1.563 20 0 BDADLO Cc1cccc([C@H](O)C[NH+]2CCOCC2)c1 ZINC000019784978 538927993 /nfs/dbraw/zinc/92/79/93/538927993.db2.gz LEJLBFDFXLGGJI-CYBMUJFWSA-N 1 2 221.300 1.361 20 0 BDADLO Cc1cc(NCC[C@H]2CCCO2)nc[nH+]1 ZINC000040727408 178163532 /nfs/dbraw/zinc/16/35/32/178163532.db2.gz WKISZTINHNEKPQ-SNVBAGLBSA-N 1 2 207.277 1.766 20 0 BDADLO Cc1cc(NC[C@@H](C)C[C@H](C)O)nc[nH+]1 ZINC000301352324 178164235 /nfs/dbraw/zinc/16/42/35/178164235.db2.gz LTTGXIAJYWDZHV-WPRPVWTQSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NC[C@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000235826086 178169606 /nfs/dbraw/zinc/16/96/06/178169606.db2.gz ZYTPWLUSFGEIAW-VHSXEESVSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1cc([NH2+]C[C@H]2COCCO2)ccc1N ZINC000038062596 178170467 /nfs/dbraw/zinc/17/04/67/178170467.db2.gz ASYLHIJUTHZCLE-NSHDSACASA-N 1 2 222.288 1.405 20 0 BDADLO Cc1cc(NCc2cccc(C(N)=O)c2)nc[nH+]1 ZINC000301239058 178173687 /nfs/dbraw/zinc/17/36/87/178173687.db2.gz LOHDVESNBUDVDW-UHFFFAOYSA-N 1 2 242.282 1.496 20 0 BDADLO Cc1cc(NCc2nnc3ccccn32)nc[nH+]1 ZINC000301270125 178176634 /nfs/dbraw/zinc/17/66/34/178176634.db2.gz VFWPCHKCJITPJP-UHFFFAOYSA-N 1 2 240.270 1.440 20 0 BDADLO CC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000264623398 187331442 /nfs/dbraw/zinc/33/14/42/187331442.db2.gz IULHPSWIGACNTP-UHFFFAOYSA-N 1 2 234.303 1.210 20 0 BDADLO Cc1cc(N[C@@H](CO)CC(C)C)nc[nH+]1 ZINC000040778891 178180728 /nfs/dbraw/zinc/18/07/28/178180728.db2.gz CWUMHKZZXXIIJJ-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(N[C@@H]2CCOC2(C)C)nc[nH+]1 ZINC000336887933 178182777 /nfs/dbraw/zinc/18/27/77/178182777.db2.gz DPDDKMMSHBIXDT-SECBINFHSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000295393321 178184734 /nfs/dbraw/zinc/18/47/34/178184734.db2.gz RDQYMCULUSWTDI-AOOOYVTPSA-N 1 2 219.288 1.598 20 0 BDADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC000342432676 136223079 /nfs/dbraw/zinc/22/30/79/136223079.db2.gz SXTIUXKGPLTEJF-NOZJJQNGSA-N 1 2 244.298 1.427 20 0 BDADLO CCc1cc(N2CC[C@H](C)[C@H]2CO)nc(C)[nH+]1 ZINC000276039740 538931652 /nfs/dbraw/zinc/93/16/52/538931652.db2.gz NFPSDKYGRDGZCH-JOYOIKCWSA-N 1 2 235.331 1.555 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000276489193 538932326 /nfs/dbraw/zinc/93/23/26/538932326.db2.gz ULNUMXABXJANGB-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000276489193 538932327 /nfs/dbraw/zinc/93/23/27/538932327.db2.gz ULNUMXABXJANGB-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421359708 192332415 /nfs/dbraw/zinc/33/24/15/192332415.db2.gz XRUACKWESMFYOL-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421359708 192332417 /nfs/dbraw/zinc/33/24/17/192332417.db2.gz XRUACKWESMFYOL-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@H](F)C1)n1cc[nH+]c1 ZINC000650064635 398230057 /nfs/dbraw/zinc/23/00/57/398230057.db2.gz IWCWWGDOXXKMJB-VHSXEESVSA-N 1 2 225.267 1.405 20 0 BDADLO CCC[C@@H]([NH2+][C@H](COC)C(C)C)C(=O)OCC ZINC000097988536 323000739 /nfs/dbraw/zinc/00/07/39/323000739.db2.gz XKCDYNNMPYYYKA-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CCOCCN(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000280482919 538937032 /nfs/dbraw/zinc/93/70/32/538937032.db2.gz JKSNCRBRXNTVSY-UHFFFAOYSA-N 1 2 239.319 1.227 20 0 BDADLO CCOCCN(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000280482919 538937033 /nfs/dbraw/zinc/93/70/33/538937033.db2.gz JKSNCRBRXNTVSY-UHFFFAOYSA-N 1 2 239.319 1.227 20 0 BDADLO COC(=O)c1cc(C[NH+]2CCSCC2)on1 ZINC000602437202 349524803 /nfs/dbraw/zinc/52/48/03/349524803.db2.gz FIWBUCXYIIXJFM-UHFFFAOYSA-N 1 2 242.300 1.010 20 0 BDADLO COc1ccnc(NCCc2cccc(C)[nH+]2)n1 ZINC000280546017 538937640 /nfs/dbraw/zinc/93/76/40/538937640.db2.gz SVTQDCNIQISFOK-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H]2CCC[C@H]21 ZINC000280619774 538937704 /nfs/dbraw/zinc/93/77/04/538937704.db2.gz PJQDGZLHEZTIBD-VXGBXAGGSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H]2CCC[C@H]21 ZINC000280619774 538937706 /nfs/dbraw/zinc/93/77/06/538937706.db2.gz PJQDGZLHEZTIBD-VXGBXAGGSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCSC1 ZINC000279779295 538936148 /nfs/dbraw/zinc/93/61/48/538936148.db2.gz FJXVPJQBDVKYNG-SNVBAGLBSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCSC1 ZINC000279779295 538936150 /nfs/dbraw/zinc/93/61/50/538936150.db2.gz FJXVPJQBDVKYNG-SNVBAGLBSA-N 1 2 239.344 1.354 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccnc2)[C@H](C)C1 ZINC000268663655 187333686 /nfs/dbraw/zinc/33/36/86/187333686.db2.gz IYQSWMUCGZZBNT-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccnc2)[C@H](C)C1 ZINC000268663655 187333688 /nfs/dbraw/zinc/33/36/88/187333688.db2.gz IYQSWMUCGZZBNT-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CC(C)CONC(=O)c1ccc2[nH+]ccn2c1 ZINC000269706706 187334538 /nfs/dbraw/zinc/33/45/38/187334538.db2.gz RDOPYKJRRXIANM-UHFFFAOYSA-N 1 2 233.271 1.652 20 0 BDADLO CCn1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000576527947 365618924 /nfs/dbraw/zinc/61/89/24/365618924.db2.gz BEGXYLOBEVEONH-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ncc[nH]1 ZINC000286146164 538943262 /nfs/dbraw/zinc/94/32/62/538943262.db2.gz PDJZEPOTDMEPJZ-BIMULSAOSA-N 1 2 243.310 1.719 20 0 BDADLO c1cncc(-c2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000649442206 398247651 /nfs/dbraw/zinc/24/76/51/398247651.db2.gz CJRRTAOSNXPJAM-UHFFFAOYSA-N 1 2 241.294 1.980 20 0 BDADLO c1cc(-c2cc[nH+]c(N3CCOCC3)c2)ccn1 ZINC000649442520 398248063 /nfs/dbraw/zinc/24/80/63/398248063.db2.gz SIPYESIMQVYJKZ-UHFFFAOYSA-N 1 2 241.294 1.980 20 0 BDADLO Cc1cc(N2CC[C@@H](O)C(C)(C)C2)c(C#N)c[nH+]1 ZINC000399006455 398248745 /nfs/dbraw/zinc/24/87/45/398248745.db2.gz YPUZRZBVQVJBOZ-CYBMUJFWSA-N 1 2 245.326 1.859 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291190078 538947608 /nfs/dbraw/zinc/94/76/08/538947608.db2.gz CUNBSZHXPZNUKJ-MNOVXSKESA-N 1 2 221.304 1.328 20 0 BDADLO C[C@H]1C[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CO1 ZINC000576710833 365667709 /nfs/dbraw/zinc/66/77/09/365667709.db2.gz XVLCVUIEUKYQTP-DTWKUNHWSA-N 1 2 237.303 1.186 20 0 BDADLO CCCC[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291188702 538947375 /nfs/dbraw/zinc/94/73/75/538947375.db2.gz CSDDSUPGGHAHNI-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000066864537 361826364 /nfs/dbraw/zinc/82/63/64/361826364.db2.gz YYTMDEULDLWQCK-LBPRGKRZSA-N 1 2 249.358 1.733 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000066864537 361826371 /nfs/dbraw/zinc/82/63/71/361826371.db2.gz YYTMDEULDLWQCK-LBPRGKRZSA-N 1 2 249.358 1.733 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@H](C)O ZINC000649460321 398262046 /nfs/dbraw/zinc/26/20/46/398262046.db2.gz GSTIFMIUKLVDBR-VHSXEESVSA-N 1 2 237.347 1.767 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCC(F)(F)F ZINC000291462480 538948167 /nfs/dbraw/zinc/94/81/67/538948167.db2.gz OHHKIJMRJHYWKW-UHFFFAOYSA-N 1 2 235.209 1.379 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291465918 538948273 /nfs/dbraw/zinc/94/82/73/538948273.db2.gz OQXHYAKPROWSSY-SNVBAGLBSA-N 1 2 223.320 1.719 20 0 BDADLO COCCn1cc(C[NH2+]CC(C)(F)F)cn1 ZINC000378783321 346834054 /nfs/dbraw/zinc/83/40/54/346834054.db2.gz KIAYDBWYLRBQAY-UHFFFAOYSA-N 1 2 233.262 1.274 20 0 BDADLO CCc1cc(NC[C@@H]2CC[C@@H](C)O2)nc[nH+]1 ZINC000397982306 488178537 /nfs/dbraw/zinc/17/85/37/488178537.db2.gz ILFJODLLPTUGPJ-KOLCDFICSA-N 1 2 221.304 1.440 20 0 BDADLO Cc1nsc(NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000624536647 344001085 /nfs/dbraw/zinc/00/10/85/344001085.db2.gz XZFSFGASRJMDOD-JTQLQIEISA-N 1 2 240.376 1.412 20 0 BDADLO Cc1nsc(NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000624536647 344001087 /nfs/dbraw/zinc/00/10/87/344001087.db2.gz XZFSFGASRJMDOD-JTQLQIEISA-N 1 2 240.376 1.412 20 0 BDADLO COC(=O)C1(C)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000600166852 342694437 /nfs/dbraw/zinc/69/44/37/342694437.db2.gz NGXCUFUTWVDRAW-UHFFFAOYSA-N 1 2 237.303 1.021 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1ccno1 ZINC000231880157 342741269 /nfs/dbraw/zinc/74/12/69/342741269.db2.gz KCFHRNFCZZAPEJ-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)sn1 ZINC000639209619 398279084 /nfs/dbraw/zinc/27/90/84/398279084.db2.gz XMIQHXNZRFDUSD-PHIMTYICSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)sn1 ZINC000639209619 398279089 /nfs/dbraw/zinc/27/90/89/398279089.db2.gz XMIQHXNZRFDUSD-PHIMTYICSA-N 1 2 239.388 1.976 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccc3nccn32)C[C@@H](C)O1 ZINC000183380131 538966393 /nfs/dbraw/zinc/96/63/93/538966393.db2.gz BRGIFKMKISVVIH-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@@H](C)O1 ZINC000183380131 538966395 /nfs/dbraw/zinc/96/63/95/538966395.db2.gz BRGIFKMKISVVIH-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO CCC1(CNc2nc(C)[nH+]cc2C)COC1 ZINC000583945458 342730662 /nfs/dbraw/zinc/73/06/62/342730662.db2.gz WGTDPRDEPPXLPU-UHFFFAOYSA-N 1 2 221.304 1.354 20 0 BDADLO CC[C@H](C[C@H](C)CO)Nc1cc[nH+]c(C)n1 ZINC000309629157 342760192 /nfs/dbraw/zinc/76/01/92/342760192.db2.gz GONDUIZTIAWZAN-GXSJLCMTSA-N 1 2 223.320 1.994 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccccc1F ZINC000054860530 398284084 /nfs/dbraw/zinc/28/40/84/398284084.db2.gz ACLYXKVYRNEUIO-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CC[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000005580220 342766278 /nfs/dbraw/zinc/76/62/78/342766278.db2.gz DZUDHOJURSJIST-SNVBAGLBSA-N 1 2 209.293 1.436 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cc[nH]n1 ZINC000042414018 342775046 /nfs/dbraw/zinc/77/50/46/342775046.db2.gz TVYJALUHDMVATH-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO CC(C)(F)C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000634576187 342781129 /nfs/dbraw/zinc/78/11/29/342781129.db2.gz LQTMXRJNGONESJ-JTQLQIEISA-N 1 2 242.269 1.690 20 0 BDADLO COc1ccsc1C[NH+]1CC(C)(O)C1 ZINC000639254046 398285179 /nfs/dbraw/zinc/28/51/79/398285179.db2.gz XRDQZQSBQPBXLV-UHFFFAOYSA-N 1 2 213.302 1.323 20 0 BDADLO O=C(CC1CCC(=O)CC1)NCCn1cc[nH+]c1 ZINC000530506377 342789314 /nfs/dbraw/zinc/78/93/14/342789314.db2.gz DANXIZUAMUUVEW-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO O=c1c2c([nH]n1-c1ccc(Cl)cc1)CC[NH2+]C2 ZINC000634582205 342797922 /nfs/dbraw/zinc/79/79/22/342797922.db2.gz NFMFXKDOIXWVNR-JTQLQIEISA-N 1 2 249.701 1.652 20 0 BDADLO CC(C)(C)c1nc(NC[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000624666584 342813547 /nfs/dbraw/zinc/81/35/47/342813547.db2.gz IJCYKXUCHPZYMM-AOOOYVTPSA-N 1 2 235.331 1.379 20 0 BDADLO Cc1nc(N2C[C@@H]3CCC[C@]3(CO)C2)cc[nH+]1 ZINC000624669658 342815468 /nfs/dbraw/zinc/81/54/68/342815468.db2.gz VBNSUWAQYITMMD-WCQYABFASA-N 1 2 233.315 1.384 20 0 BDADLO Cc1cc(N(C)C[C@H]2C[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000624686335 342816103 /nfs/dbraw/zinc/81/61/03/342816103.db2.gz NQDDQBWWRSRJER-KLPPZKSPSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2CCC[C@@H]2c2ncon2)nc[nH+]1 ZINC000602601987 349624635 /nfs/dbraw/zinc/62/46/35/349624635.db2.gz RWMLVCUVKFXTSZ-SECBINFHSA-N 1 2 231.259 1.510 20 0 BDADLO Cc1cc(N2CCC[C@H]2c2ncon2)nc[nH+]1 ZINC000602601989 349624656 /nfs/dbraw/zinc/62/46/56/349624656.db2.gz RWMLVCUVKFXTSZ-VIFPVBQESA-N 1 2 231.259 1.510 20 0 BDADLO Cc1nn(C)cc1-c1c[nH+]c2n1CCCC2 ZINC000630052892 361922071 /nfs/dbraw/zinc/92/20/71/361922071.db2.gz ZQTBLOVVHJXSLC-UHFFFAOYSA-N 1 2 216.288 1.928 20 0 BDADLO COc1cc(CO)cc(-c2[nH+]ccn2C)c1O ZINC000630053653 361923861 /nfs/dbraw/zinc/92/38/61/361923861.db2.gz XLNBXKMOVYNRPD-UHFFFAOYSA-N 1 2 234.255 1.294 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](CC(F)F)C1 ZINC000187581165 538976787 /nfs/dbraw/zinc/97/67/87/538976787.db2.gz FDWHIBHIRUJPHQ-JTQLQIEISA-N 1 2 207.264 1.736 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](CC(F)F)C1 ZINC000187581165 538976788 /nfs/dbraw/zinc/97/67/88/538976788.db2.gz FDWHIBHIRUJPHQ-JTQLQIEISA-N 1 2 207.264 1.736 20 0 BDADLO COC[C@@]1(C)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000624774280 342827596 /nfs/dbraw/zinc/82/75/96/342827596.db2.gz SGFCJKGKLCHDTF-GFCCVEGCSA-N 1 2 237.303 1.027 20 0 BDADLO CCOC1CC[NH+](Cc2ncccn2)CC1 ZINC000191958302 538994007 /nfs/dbraw/zinc/99/40/07/538994007.db2.gz ASDIBYFTZHQXRQ-UHFFFAOYSA-N 1 2 221.304 1.478 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2ncccn2)[C@H]1C ZINC000192031540 538994015 /nfs/dbraw/zinc/99/40/15/538994015.db2.gz ROFDYDHLWMHJHW-VHSXEESVSA-N 1 2 223.345 1.802 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2ncccn2)[C@H]1C ZINC000192031540 538994016 /nfs/dbraw/zinc/99/40/16/538994016.db2.gz ROFDYDHLWMHJHW-VHSXEESVSA-N 1 2 223.345 1.802 20 0 BDADLO CCC(CC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000188868828 538979981 /nfs/dbraw/zinc/97/99/81/538979981.db2.gz SZBOOYKJJQRJSZ-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CCC(CC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000188868828 538979983 /nfs/dbraw/zinc/97/99/83/538979983.db2.gz SZBOOYKJJQRJSZ-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000507106296 529397578 /nfs/dbraw/zinc/39/75/78/529397578.db2.gz YJPFBLOLSOBMHF-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000507106296 529397581 /nfs/dbraw/zinc/39/75/81/529397581.db2.gz YJPFBLOLSOBMHF-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO Nc1[nH+]cnc(N2CCC[C@@H]3C[C@@H]32)c1Cl ZINC000379875639 538980990 /nfs/dbraw/zinc/98/09/90/538980990.db2.gz ACJVYIJLAKLAEV-RQJHMYQMSA-N 1 2 224.695 1.701 20 0 BDADLO Nc1nc[nH+]c(N2CCC[C@@H]3C[C@@H]32)c1Cl ZINC000379875639 538980991 /nfs/dbraw/zinc/98/09/91/538980991.db2.gz ACJVYIJLAKLAEV-RQJHMYQMSA-N 1 2 224.695 1.701 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000189278562 538981280 /nfs/dbraw/zinc/98/12/80/538981280.db2.gz LBBMVDCWLYXPKD-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000189278562 538981282 /nfs/dbraw/zinc/98/12/82/538981282.db2.gz LBBMVDCWLYXPKD-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO Cn1cc(C[NH2+][C@H]2CCCC2(F)F)cn1 ZINC000380074023 538984777 /nfs/dbraw/zinc/98/47/77/538984777.db2.gz ICCCBQSOURHAOH-VIFPVBQESA-N 1 2 215.247 1.698 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000193339193 539004800 /nfs/dbraw/zinc/00/48/00/539004800.db2.gz VRXCQUVCXRRTGI-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000193339193 539004801 /nfs/dbraw/zinc/00/48/01/539004801.db2.gz VRXCQUVCXRRTGI-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)[C@H](NC(=O)CCCF)c1[nH]cc[nH+]1 ZINC000640724023 361961559 /nfs/dbraw/zinc/96/15/59/361961559.db2.gz BBPPUDPZNCOISE-JTQLQIEISA-N 1 2 227.283 1.973 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000193724790 539007726 /nfs/dbraw/zinc/00/77/26/539007726.db2.gz ITBFWUJJKMGVBM-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000193724790 539007727 /nfs/dbraw/zinc/00/77/27/539007727.db2.gz ITBFWUJJKMGVBM-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1nc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)co1 ZINC000640723620 361962172 /nfs/dbraw/zinc/96/21/72/361962172.db2.gz ZLIJIDUVKLYMSB-JTQLQIEISA-N 1 2 248.286 1.833 20 0 BDADLO CC(C)[C@H](NC(=O)[C@H]1C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000640723596 361962231 /nfs/dbraw/zinc/96/22/31/361962231.db2.gz MASVEYGPELUCIL-GUBZILKMSA-N 1 2 221.304 1.879 20 0 BDADLO C[C@@H](CC(=O)NCCc1cnoc1)n1cc[nH+]c1 ZINC000640711414 361951775 /nfs/dbraw/zinc/95/17/75/361951775.db2.gz FFQQOCMBKIOMNP-JTQLQIEISA-N 1 2 248.286 1.181 20 0 BDADLO CCc1nc(C[NH2+][C@]2(CC)CCOC2)no1 ZINC000390548713 539026225 /nfs/dbraw/zinc/02/62/25/539026225.db2.gz NTLCAALHGKFREO-LLVKDONJSA-N 1 2 225.292 1.291 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1[nH+]c2ccc(F)cc2n1C ZINC000649502195 398297502 /nfs/dbraw/zinc/29/75/02/398297502.db2.gz QETCDBPBLKCPEO-PRHODGIISA-N 1 2 249.289 1.672 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)o1 ZINC000349586852 398298538 /nfs/dbraw/zinc/29/85/38/398298538.db2.gz XTFDAYCEHIJZDS-UHFFFAOYSA-N 1 2 230.695 1.453 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)o1 ZINC000349586852 398298539 /nfs/dbraw/zinc/29/85/39/398298539.db2.gz XTFDAYCEHIJZDS-UHFFFAOYSA-N 1 2 230.695 1.453 20 0 BDADLO Cn1ncc(Cn2cc[nH+]c2)c1C(F)(F)F ZINC000132582960 323015720 /nfs/dbraw/zinc/01/57/20/323015720.db2.gz RODHJBCLEHQSKF-UHFFFAOYSA-N 1 2 230.193 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H](C)O1 ZINC000625048143 342845637 /nfs/dbraw/zinc/84/56/37/342845637.db2.gz QUHZNUPBRAPQGF-PHIMTYICSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H](C)O1 ZINC000625048143 342845638 /nfs/dbraw/zinc/84/56/38/342845638.db2.gz QUHZNUPBRAPQGF-PHIMTYICSA-N 1 2 242.363 1.258 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CC1(F)F ZINC000618596920 342852366 /nfs/dbraw/zinc/85/23/66/342852366.db2.gz ZZAAMRNJWXSUPX-JTQLQIEISA-N 1 2 243.257 1.124 20 0 BDADLO Cc1nc(N(C)C)nc(NC2(C3(C)CC3)CC2)[nH+]1 ZINC000649512267 398305225 /nfs/dbraw/zinc/30/52/25/398305225.db2.gz SQLUMQCKXOWLDK-UHFFFAOYSA-N 1 2 247.346 1.991 20 0 BDADLO Cc1nc(NC2(C3(C)CC3)CC2)nc(N(C)C)[nH+]1 ZINC000649512267 398305228 /nfs/dbraw/zinc/30/52/28/398305228.db2.gz SQLUMQCKXOWLDK-UHFFFAOYSA-N 1 2 247.346 1.991 20 0 BDADLO CCc1cc(NCCCn2cccn2)nc[nH+]1 ZINC000134649994 342874749 /nfs/dbraw/zinc/87/47/49/342874749.db2.gz LCISIDVLZDYSIH-UHFFFAOYSA-N 1 2 231.303 1.738 20 0 BDADLO COCCC[N@H+](CCOC)Cc1cnns1 ZINC000625106630 342858629 /nfs/dbraw/zinc/85/86/29/342858629.db2.gz IIOYJPOMHPOGGC-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO COCCC[N@@H+](CCOC)Cc1cnns1 ZINC000625106630 342858630 /nfs/dbraw/zinc/85/86/30/342858630.db2.gz IIOYJPOMHPOGGC-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309614311 398317708 /nfs/dbraw/zinc/31/77/08/398317708.db2.gz DJCSIDQUBCHSDH-RXMQYKEDSA-N 1 2 233.243 1.079 20 0 BDADLO Clc1cccnc1CN1CCn2cc[nH+]c2C1 ZINC000625125932 342880301 /nfs/dbraw/zinc/88/03/01/342880301.db2.gz FNALADRCSICESN-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@]1(O)CCC[C@H]1C ZINC000584301749 398321018 /nfs/dbraw/zinc/32/10/18/398321018.db2.gz COWLHPOZVZVTMQ-ZWNOBZJWSA-N 1 2 235.331 1.478 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)C(F)(F)F ZINC000628034961 342887772 /nfs/dbraw/zinc/88/77/72/342887772.db2.gz QARMNXLZJXPHRV-ZETCQYMHSA-N 1 2 249.236 1.957 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000628034961 342887773 /nfs/dbraw/zinc/88/77/73/342887773.db2.gz QARMNXLZJXPHRV-ZETCQYMHSA-N 1 2 249.236 1.957 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnc(C)n1 ZINC000507579545 529411943 /nfs/dbraw/zinc/41/19/43/529411943.db2.gz DMJVGDWUDOOFAH-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnc(C)n1 ZINC000507579545 529411944 /nfs/dbraw/zinc/41/19/44/529411944.db2.gz DMJVGDWUDOOFAH-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](CO)C2)s1 ZINC000625185883 342903823 /nfs/dbraw/zinc/90/38/23/342903823.db2.gz SZAYLIDGBLRNSD-VIFPVBQESA-N 1 2 241.360 1.476 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](CO)C2)s1 ZINC000625185883 342903824 /nfs/dbraw/zinc/90/38/24/342903824.db2.gz SZAYLIDGBLRNSD-VIFPVBQESA-N 1 2 241.360 1.476 20 0 BDADLO CC(C)c1cc(-n2c[nH+]c(CCCO)c2)ncn1 ZINC000602621451 349641566 /nfs/dbraw/zinc/64/15/66/349641566.db2.gz FZKFOLYIZVWJDP-UHFFFAOYSA-N 1 2 246.314 1.711 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCc1[nH+]ccn1C ZINC000625239089 342927205 /nfs/dbraw/zinc/92/72/05/342927205.db2.gz NVEKLVNWYPKSLZ-SNVBAGLBSA-N 1 2 239.319 1.242 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000351603322 136247632 /nfs/dbraw/zinc/24/76/32/136247632.db2.gz QIOXQCXBSHVFGD-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000351603322 136247633 /nfs/dbraw/zinc/24/76/33/136247633.db2.gz QIOXQCXBSHVFGD-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO c1nc(N2CCOCC2)cc(N2CCCCC2)[nH+]1 ZINC000105785242 398324776 /nfs/dbraw/zinc/32/47/76/398324776.db2.gz KZWAGHHQGDLWOV-UHFFFAOYSA-N 1 2 248.330 1.304 20 0 BDADLO c1nc(N2CCCCC2)cc(N2CCOCC2)[nH+]1 ZINC000105785242 398324780 /nfs/dbraw/zinc/32/47/80/398324780.db2.gz KZWAGHHQGDLWOV-UHFFFAOYSA-N 1 2 248.330 1.304 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000351599298 136247744 /nfs/dbraw/zinc/24/77/44/136247744.db2.gz WODISDUVLFCPRF-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCc2nn[nH]c2C1 ZINC000351599298 136247745 /nfs/dbraw/zinc/24/77/45/136247745.db2.gz WODISDUVLFCPRF-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO CN(c1nc[nH+]c(N)c1Cl)C1CCOCC1 ZINC000234261645 342919365 /nfs/dbraw/zinc/91/93/65/342919365.db2.gz IWRZJPBQNMILPX-UHFFFAOYSA-N 1 2 242.710 1.327 20 0 BDADLO CN(c1[nH+]cnc(N)c1Cl)C1CCOCC1 ZINC000234261645 342919366 /nfs/dbraw/zinc/91/93/66/342919366.db2.gz IWRZJPBQNMILPX-UHFFFAOYSA-N 1 2 242.710 1.327 20 0 BDADLO CCC(F)(F)CNc1nc[nH+]c(C)c1OC ZINC000624560391 344010648 /nfs/dbraw/zinc/01/06/48/344010648.db2.gz CGZWNASFQCHBNM-UHFFFAOYSA-N 1 2 231.246 1.673 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)n1 ZINC000351621973 136248853 /nfs/dbraw/zinc/24/88/53/136248853.db2.gz AVLWIUAAWOEMJH-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)n1 ZINC000351621973 136248854 /nfs/dbraw/zinc/24/88/54/136248854.db2.gz AVLWIUAAWOEMJH-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO COC(=O)[C@H](CC(F)F)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000602636853 349651445 /nfs/dbraw/zinc/65/14/45/349651445.db2.gz UWSKDDZJWHYFSY-JXUBOQSCSA-N 1 2 247.285 1.819 20 0 BDADLO CC(C)c1nc(N[C@@H](CO)C(C)(C)C)cc[nH+]1 ZINC000354419654 398329482 /nfs/dbraw/zinc/32/94/82/398329482.db2.gz MBPQEVJTRJGYMU-JTQLQIEISA-N 1 2 237.347 1.841 20 0 BDADLO CC[C@@H](NC(=O)COC(F)F)c1[nH]cc[nH+]1 ZINC000354775178 398330240 /nfs/dbraw/zinc/33/02/40/398330240.db2.gz VVOWQWPUIPACTK-ZCFIWIBFSA-N 1 2 233.218 1.216 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000602645272 349657096 /nfs/dbraw/zinc/65/70/96/349657096.db2.gz QYVKLBKFWMEQSU-QYNIQEEDSA-N 1 2 207.220 1.181 20 0 BDADLO Cn1cc(N2CC[N@@H+](C3CCCC3)CC2=O)cn1 ZINC000120158483 398337055 /nfs/dbraw/zinc/33/70/55/398337055.db2.gz GOWCSLGFGDBJBU-UHFFFAOYSA-N 1 2 248.330 1.011 20 0 BDADLO Cn1cc(N2CC[N@H+](C3CCCC3)CC2=O)cn1 ZINC000120158483 398337056 /nfs/dbraw/zinc/33/70/56/398337056.db2.gz GOWCSLGFGDBJBU-UHFFFAOYSA-N 1 2 248.330 1.011 20 0 BDADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000493426865 529456629 /nfs/dbraw/zinc/45/66/29/529456629.db2.gz QPRLDFQWGVZEEA-NWALNABHSA-N 1 2 245.286 1.414 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000351728775 136249887 /nfs/dbraw/zinc/24/98/87/136249887.db2.gz ALUDSHBPZVODML-SRVKXCTJSA-N 1 2 243.347 1.683 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccon2)C1 ZINC000634974341 398339535 /nfs/dbraw/zinc/33/95/35/398339535.db2.gz YGMKFOQGUWYKGO-AWEZNQCLSA-N 1 2 243.310 1.951 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccon2)C1 ZINC000634974341 398339536 /nfs/dbraw/zinc/33/95/36/398339536.db2.gz YGMKFOQGUWYKGO-AWEZNQCLSA-N 1 2 243.310 1.951 20 0 BDADLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccon2)C1 ZINC000634974341 398339537 /nfs/dbraw/zinc/33/95/37/398339537.db2.gz YGMKFOQGUWYKGO-AWEZNQCLSA-N 1 2 243.310 1.951 20 0 BDADLO CC1=NN(CC[NH+]2CCCCC2)C(=O)[C@@H]1C ZINC000634592404 342946547 /nfs/dbraw/zinc/94/65/47/342946547.db2.gz IMMRRCQWMISDAV-SNVBAGLBSA-N 1 2 223.320 1.327 20 0 BDADLO CCn1cc[nH+]c1CN=c1[nH]oc(C)c1C ZINC000562564938 323024655 /nfs/dbraw/zinc/02/46/55/323024655.db2.gz QPBNBILWKRDLBS-UHFFFAOYSA-N 1 2 220.276 1.542 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000602694565 349691838 /nfs/dbraw/zinc/69/18/38/349691838.db2.gz IYNGQRFLSBJJTG-ADEWGFFLSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CC=C(C)C)C1CC1 ZINC000380208541 346903225 /nfs/dbraw/zinc/90/32/25/346903225.db2.gz XPNXLVMKFZMYDJ-LBPRGKRZSA-N 1 2 211.305 1.884 20 0 BDADLO CC(=O)NCCCN(C)c1cccc[nH+]1 ZINC000301058169 187206018 /nfs/dbraw/zinc/20/60/18/187206018.db2.gz BFRXXESLDPBHAN-UHFFFAOYSA-N 1 2 207.277 1.044 20 0 BDADLO Cc1nc2n(n1)CCC[C@H]2Nc1cc(C)[nH+]cn1 ZINC000301561406 187206142 /nfs/dbraw/zinc/20/61/42/187206142.db2.gz JCPVTJMCXBZURT-SNVBAGLBSA-N 1 2 244.302 1.632 20 0 BDADLO Cc1nc(N(C)CC[C@@H]2CCCO2)cc[nH+]1 ZINC000302705184 187206609 /nfs/dbraw/zinc/20/66/09/187206609.db2.gz JMUDDXUWICPVIJ-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO Cc1cnc(NCCc2cn(C)c[nH+]2)nc1C ZINC000313487159 259335658 /nfs/dbraw/zinc/33/56/58/259335658.db2.gz YFAZMIOZERFTOU-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO CC[C@@H](CSC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493367103 529528527 /nfs/dbraw/zinc/52/85/27/529528527.db2.gz JMZRCTUDJFUDJF-MOVJSRMASA-N 1 2 239.344 1.681 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000493522058 529555483 /nfs/dbraw/zinc/55/54/83/529555483.db2.gz LIFQMJATXIWEKB-NNOMMRTBSA-N 1 2 249.314 1.210 20 0 BDADLO CC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)O ZINC000493400984 529572735 /nfs/dbraw/zinc/57/27/35/529572735.db2.gz KHTBWMDFKTZYTM-VUHVRTRXSA-N 1 2 237.303 1.089 20 0 BDADLO COc1ccc(F)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114125294 187212770 /nfs/dbraw/zinc/21/27/70/187212770.db2.gz ATKVYLWWCJKCEY-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000356596724 187213200 /nfs/dbraw/zinc/21/32/00/187213200.db2.gz QUIRCINKICCHOX-UWVGGRQHSA-N 1 2 221.304 1.660 20 0 BDADLO CSC1CC[NH+](Cc2csnn2)CC1 ZINC000602724153 349714425 /nfs/dbraw/zinc/71/44/25/349714425.db2.gz AAMTVKVUYGMOCZ-UHFFFAOYSA-N 1 2 229.374 1.866 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(SC)CC1 ZINC000602725684 349714878 /nfs/dbraw/zinc/71/48/78/349714878.db2.gz IJYUVPNLYJAGCL-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cc(C)ccn1 ZINC000357404646 187214398 /nfs/dbraw/zinc/21/43/98/187214398.db2.gz MVZJOPALQRNTCJ-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cc(C)ccn1 ZINC000357404646 187214400 /nfs/dbraw/zinc/21/44/00/187214400.db2.gz MVZJOPALQRNTCJ-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CC[C@](C)([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)OC ZINC000602796622 349737761 /nfs/dbraw/zinc/73/77/61/349737761.db2.gz DMWPOTYLTQWCOH-MFKMUULPSA-N 1 2 243.347 1.733 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000358621210 187215833 /nfs/dbraw/zinc/21/58/33/187215833.db2.gz TYJLBLSPOLLZMO-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000358621210 187215837 /nfs/dbraw/zinc/21/58/37/187215837.db2.gz TYJLBLSPOLLZMO-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000584330941 346915593 /nfs/dbraw/zinc/91/55/93/346915593.db2.gz LSNALIPQGVQODP-MRVPVSSYSA-N 1 2 249.270 1.640 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOC(C)C ZINC000049948093 343019196 /nfs/dbraw/zinc/01/91/96/343019196.db2.gz PEAQCORSRMJLSW-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOC(C)C ZINC000049948093 343019198 /nfs/dbraw/zinc/01/91/98/343019198.db2.gz PEAQCORSRMJLSW-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CCCCO1 ZINC000049948247 343019307 /nfs/dbraw/zinc/01/93/07/343019307.db2.gz HPIOCUNXZXNGBH-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CCCCO1 ZINC000049948247 343019308 /nfs/dbraw/zinc/01/93/08/343019308.db2.gz HPIOCUNXZXNGBH-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000335908607 136261788 /nfs/dbraw/zinc/26/17/88/136261788.db2.gz TUSAWNUAGOSHRM-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000335908607 136261789 /nfs/dbraw/zinc/26/17/89/136261789.db2.gz TUSAWNUAGOSHRM-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)[C@@H]1CCSC1 ZINC000162664972 349771637 /nfs/dbraw/zinc/77/16/37/349771637.db2.gz XYGSZHUSNZKTKV-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)[C@@H]1CCSC1 ZINC000162664972 349771639 /nfs/dbraw/zinc/77/16/39/349771639.db2.gz XYGSZHUSNZKTKV-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO Cc1nn(CCCn2cc[nH+]c2)c2c1CCC2 ZINC000634633891 343046566 /nfs/dbraw/zinc/04/65/66/343046566.db2.gz IXSNAZUIRAFTJR-UHFFFAOYSA-N 1 2 230.315 1.967 20 0 BDADLO CC[C@@H](C)c1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000634633834 343046857 /nfs/dbraw/zinc/04/68/57/343046857.db2.gz HQJXXBMYIIPWLW-LLVKDONJSA-N 1 2 248.330 1.908 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602856829 349789298 /nfs/dbraw/zinc/78/92/98/349789298.db2.gz RWIRLKHXEHRJKJ-ZDUSSCGKSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602856829 349789302 /nfs/dbraw/zinc/78/93/02/349789302.db2.gz RWIRLKHXEHRJKJ-ZDUSSCGKSA-N 1 2 248.326 1.824 20 0 BDADLO C[C@@H]1CC[C@@H]2C(=O)N(CCCn3cc[nH+]c3)N=C12 ZINC000634634425 343047420 /nfs/dbraw/zinc/04/74/20/343047420.db2.gz XJOWVDSFEZSRJH-MNOVXSKESA-N 1 2 246.314 1.518 20 0 BDADLO CCN(C#N)CC[NH2+][C@@H](C)c1cscn1 ZINC000602881084 349791261 /nfs/dbraw/zinc/79/12/61/349791261.db2.gz CJVWMLJWIFHORA-VIFPVBQESA-N 1 2 224.333 1.597 20 0 BDADLO CCc1ccc(C[NH+]2CC3(C2)CNC(=O)O3)cc1 ZINC000496627990 529639123 /nfs/dbraw/zinc/63/91/23/529639123.db2.gz TYSSWQBJVMVWLK-UHFFFAOYSA-N 1 2 246.310 1.543 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)C(=O)OC ZINC000308384070 529673629 /nfs/dbraw/zinc/67/36/29/529673629.db2.gz YZDKNLKGJVINEI-GARJFASQSA-N 1 2 241.331 1.485 20 0 BDADLO C(=C/c1ccccc1)\C[NH+]1CC(n2ccnn2)C1 ZINC000378554307 187227428 /nfs/dbraw/zinc/22/74/28/187227428.db2.gz XMYXAMKRTNOHNL-QPJJXVBHSA-N 1 2 240.310 1.848 20 0 BDADLO c1coc(C[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000331462437 187230505 /nfs/dbraw/zinc/23/05/05/187230505.db2.gz NBPRTAPOVKPMRS-SNVBAGLBSA-N 1 2 218.260 1.496 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000175025291 362019199 /nfs/dbraw/zinc/01/91/99/362019199.db2.gz UACSUQHFVDDFGC-LLVKDONJSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000175025291 362019202 /nfs/dbraw/zinc/01/92/02/362019202.db2.gz UACSUQHFVDDFGC-LLVKDONJSA-N 1 2 240.347 1.107 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602886855 349794364 /nfs/dbraw/zinc/79/43/64/349794364.db2.gz JFCQFHCJYMHOQI-JTQLQIEISA-N 1 2 249.314 1.071 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602886855 349794366 /nfs/dbraw/zinc/79/43/66/349794366.db2.gz JFCQFHCJYMHOQI-JTQLQIEISA-N 1 2 249.314 1.071 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CCOC(C)(C)C2 ZINC000634533608 362028185 /nfs/dbraw/zinc/02/81/85/362028185.db2.gz JIGYNQGQIOVYBB-CYBMUJFWSA-N 1 2 240.347 1.502 20 0 BDADLO C/C=C/c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952221 362096502 /nfs/dbraw/zinc/09/65/02/362096502.db2.gz FKIYVZAJTKEOHO-ONEGZZNKSA-N 1 2 203.249 1.093 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ncnn2C)CCS1 ZINC000177355609 346927165 /nfs/dbraw/zinc/92/71/65/346927165.db2.gz OOWFWRDREUSFKM-JTQLQIEISA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ncnn2C)CCS1 ZINC000177355609 346927168 /nfs/dbraw/zinc/92/71/68/346927168.db2.gz OOWFWRDREUSFKM-JTQLQIEISA-N 1 2 240.376 1.389 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309962711 343114080 /nfs/dbraw/zinc/11/40/80/343114080.db2.gz MCAYKBUAVVFNMN-NXEZZACHSA-N 1 2 219.288 1.943 20 0 BDADLO CCC[C@@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640941805 362083200 /nfs/dbraw/zinc/08/32/00/362083200.db2.gz FYXZQXQFVVQCQK-KOLCDFICSA-N 1 2 224.308 1.300 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)Cn1cccn1 ZINC000127881448 343179179 /nfs/dbraw/zinc/17/91/79/343179179.db2.gz UBFFCRBOYWLAOS-SNVBAGLBSA-N 1 2 232.287 1.787 20 0 BDADLO Cc1c[nH]c(CN2CCC(F)(F)[C@@H](CO)C2)[nH+]1 ZINC000628288818 346930155 /nfs/dbraw/zinc/93/01/55/346930155.db2.gz UKDUAXDWQDJXEQ-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)C1CC1)c1[nH]cc[nH+]1 ZINC000125378071 343173095 /nfs/dbraw/zinc/17/30/95/343173095.db2.gz BHCGUGSCLANJPY-JGVFFNPUSA-N 1 2 207.277 1.633 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCSC ZINC000136291190 343197366 /nfs/dbraw/zinc/19/73/66/343197366.db2.gz FBXNZRJQXSKSOD-UHFFFAOYSA-N 1 2 205.323 1.234 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCSC ZINC000136291190 343197368 /nfs/dbraw/zinc/19/73/68/343197368.db2.gz FBXNZRJQXSKSOD-UHFFFAOYSA-N 1 2 205.323 1.234 20 0 BDADLO Cc1nsc(N[C@@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000336767296 136276003 /nfs/dbraw/zinc/27/60/03/136276003.db2.gz SWSVIHIFCQCMKD-IONNQARKSA-N 1 2 226.349 1.163 20 0 BDADLO Cc1nsc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)n1 ZINC000336767296 136276004 /nfs/dbraw/zinc/27/60/04/136276004.db2.gz SWSVIHIFCQCMKD-IONNQARKSA-N 1 2 226.349 1.163 20 0 BDADLO Cc1nsc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000336767297 136276032 /nfs/dbraw/zinc/27/60/32/136276032.db2.gz SWSVIHIFCQCMKD-VXNVDRBHSA-N 1 2 226.349 1.163 20 0 BDADLO Cc1nsc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)n1 ZINC000336767297 136276033 /nfs/dbraw/zinc/27/60/33/136276033.db2.gz SWSVIHIFCQCMKD-VXNVDRBHSA-N 1 2 226.349 1.163 20 0 BDADLO C[C@H]1C[N@H+](CCOC2CCOCC2)CCC1=O ZINC000625332665 343237669 /nfs/dbraw/zinc/23/76/69/343237669.db2.gz JJGKKHRZEDEVTQ-NSHDSACASA-N 1 2 241.331 1.093 20 0 BDADLO C[C@H]1C[N@@H+](CCOC2CCOCC2)CCC1=O ZINC000625332665 343237670 /nfs/dbraw/zinc/23/76/70/343237670.db2.gz JJGKKHRZEDEVTQ-NSHDSACASA-N 1 2 241.331 1.093 20 0 BDADLO COC1CC(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000627658556 343238715 /nfs/dbraw/zinc/23/87/15/343238715.db2.gz GVQHRIMGKRSSOX-PMUOWJKOSA-N 1 2 249.314 1.430 20 0 BDADLO C(C[N@@H+]1CCOC[C@]12CCOC2)OC1CCC1 ZINC000367863121 187249697 /nfs/dbraw/zinc/24/96/97/187249697.db2.gz MSTJXGCRVCQDKI-CYBMUJFWSA-N 1 2 241.331 1.047 20 0 BDADLO C(C[N@H+]1CCOC[C@]12CCOC2)OC1CCC1 ZINC000367863121 187249698 /nfs/dbraw/zinc/24/96/98/187249698.db2.gz MSTJXGCRVCQDKI-CYBMUJFWSA-N 1 2 241.331 1.047 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000121464108 343267069 /nfs/dbraw/zinc/26/70/69/343267069.db2.gz ZHFKDOHSGNCNLJ-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H](C)C1CC1 ZINC000297573390 136291038 /nfs/dbraw/zinc/29/10/38/136291038.db2.gz WZELVINAEYUEGP-SECBINFHSA-N 1 2 236.319 1.501 20 0 BDADLO O[C@H]1CCCC[C@H]1c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035694 362148112 /nfs/dbraw/zinc/14/81/12/362148112.db2.gz VOIVGLXDNOOYRI-JQWIXIFHSA-N 1 2 247.302 1.068 20 0 BDADLO O[C@H]1CCCC[C@@H]1c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035695 362148200 /nfs/dbraw/zinc/14/82/00/362148200.db2.gz VOIVGLXDNOOYRI-PWSUYJOCSA-N 1 2 247.302 1.068 20 0 BDADLO CCCCc1cc(NCCC2(CO)CC2)nc[nH+]1 ZINC000631294990 343277108 /nfs/dbraw/zinc/27/71/08/343277108.db2.gz PAYUUXBPGFEQSM-UHFFFAOYSA-N 1 2 249.358 1.816 20 0 BDADLO CC(C)(C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641042890 362152987 /nfs/dbraw/zinc/15/29/87/362152987.db2.gz HUDHQNLSZRGTPB-UHFFFAOYSA-N 1 2 233.319 1.959 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(Cl)s2)nn1 ZINC000070599625 343333866 /nfs/dbraw/zinc/33/38/66/343333866.db2.gz VGYADHDKYSJGQD-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CC(C)(C)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000641054976 362166533 /nfs/dbraw/zinc/16/65/33/362166533.db2.gz KRVZTLXDULWEJK-UHFFFAOYSA-N 1 2 233.319 1.862 20 0 BDADLO c1csc(C[NH2+]Cc2csnn2)c1 ZINC000036902075 343326975 /nfs/dbraw/zinc/32/69/75/343326975.db2.gz DWWSCBCRPOOJNI-UHFFFAOYSA-N 1 2 211.315 1.889 20 0 BDADLO CN(C)c1ccc(NCc2csnn2)c[nH+]1 ZINC000036989126 343329788 /nfs/dbraw/zinc/32/97/88/343329788.db2.gz JIOOWOJJQYENFW-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CC[C@H](C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000335608074 136298443 /nfs/dbraw/zinc/29/84/43/136298443.db2.gz DIBSAICCPSTZMQ-JTQLQIEISA-N 1 2 236.319 1.454 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000037074147 343332827 /nfs/dbraw/zinc/33/28/27/343332827.db2.gz ZAMSVGOGSFZQMO-ZJUUUORDSA-N 1 2 225.288 1.752 20 0 BDADLO CS[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569815417 323041491 /nfs/dbraw/zinc/04/14/91/323041491.db2.gz VKMBVXSVCBVLHZ-VHSXEESVSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cn[nH]c1 ZINC000379051771 346933998 /nfs/dbraw/zinc/93/39/98/346933998.db2.gz KFIDRIXAMLPFQF-ATZCPNFKSA-N 1 2 231.303 1.963 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1conc1C ZINC000335643789 136303773 /nfs/dbraw/zinc/30/37/73/136303773.db2.gz CNAZJYNMWVSCDB-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1conc1C ZINC000335643789 136303774 /nfs/dbraw/zinc/30/37/74/136303774.db2.gz CNAZJYNMWVSCDB-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCOC[C@H]1C ZINC000683722937 488212279 /nfs/dbraw/zinc/21/22/79/488212279.db2.gz YVNFAQBHFGDSMD-SNVBAGLBSA-N 1 2 223.320 1.203 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCOC[C@H]1C ZINC000683722937 488212281 /nfs/dbraw/zinc/21/22/81/488212281.db2.gz YVNFAQBHFGDSMD-SNVBAGLBSA-N 1 2 223.320 1.203 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2cncs2)CCN1C ZINC000335680117 136322544 /nfs/dbraw/zinc/32/25/44/136322544.db2.gz KAHIMINBSNQLAJ-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cncs2)CCN1C ZINC000335680117 136322545 /nfs/dbraw/zinc/32/25/45/136322545.db2.gz KAHIMINBSNQLAJ-ZJUUUORDSA-N 1 2 225.361 1.668 20 0 BDADLO CC(C)C[C@@H](CO)N(C)c1cccc[nH+]1 ZINC000274584902 187338211 /nfs/dbraw/zinc/33/82/11/187338211.db2.gz BDMCEJIZPBWZNG-NSHDSACASA-N 1 2 208.305 1.925 20 0 BDADLO CC[N@H+](Cc1nc(C)c[nH]1)[C@H]1CCOC1 ZINC000628289370 346937121 /nfs/dbraw/zinc/93/71/21/346937121.db2.gz HHAVSKXNDSLQEQ-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1nscc1C(=O)NCCn1cc[nH+]c1 ZINC000040768907 343409030 /nfs/dbraw/zinc/40/90/30/343409030.db2.gz YYJQQEBODJSOTB-UHFFFAOYSA-N 1 2 236.300 1.078 20 0 BDADLO O=C(c1cccc(O)c1)N1CCn2c[nH+]cc2C1 ZINC000335695615 136327083 /nfs/dbraw/zinc/32/70/83/136327083.db2.gz BYGAYGOJLKNRAP-UHFFFAOYSA-N 1 2 243.266 1.245 20 0 BDADLO CC[N@@H+](Cc1nc(C)c[nH]1)[C@H]1CCOC1 ZINC000628289370 346937124 /nfs/dbraw/zinc/93/71/24/346937124.db2.gz HHAVSKXNDSLQEQ-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092753 136346169 /nfs/dbraw/zinc/34/61/69/136346169.db2.gz HEAPPBOBDYLXKJ-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092753 136346170 /nfs/dbraw/zinc/34/61/70/136346170.db2.gz HEAPPBOBDYLXKJ-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO OC1(C(F)F)CC[NH+](Cc2nccs2)CC1 ZINC000335725780 136347094 /nfs/dbraw/zinc/34/70/94/136347094.db2.gz XYZZIPFIRCUKLT-UHFFFAOYSA-N 1 2 248.298 1.735 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000335727401 136348026 /nfs/dbraw/zinc/34/80/26/136348026.db2.gz UWDCKLNUVMMRTP-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000335727401 136348027 /nfs/dbraw/zinc/34/80/27/136348027.db2.gz UWDCKLNUVMMRTP-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO COCC[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641086901 362209147 /nfs/dbraw/zinc/20/91/47/362209147.db2.gz VJTYAZYSKDSMIS-SNVBAGLBSA-N 1 2 235.291 1.120 20 0 BDADLO c1ccc(N2CC[C@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000335703451 136334723 /nfs/dbraw/zinc/33/47/23/136334723.db2.gz YKGXEABSCWLWNV-NWDGAFQWSA-N 1 2 218.300 1.944 20 0 BDADLO Cc1ccc(Cn2c(C)cncc2=O)c(C)[nH+]1 ZINC000335704811 136335490 /nfs/dbraw/zinc/33/54/90/136335490.db2.gz WZORRQPNPNKCGE-UHFFFAOYSA-N 1 2 229.283 1.612 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000042307589 343434539 /nfs/dbraw/zinc/43/45/39/343434539.db2.gz NLOCKDYGNMGQHI-MFKMUULPSA-N 1 2 233.311 1.695 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccncc1 ZINC000276673881 187339684 /nfs/dbraw/zinc/33/96/84/187339684.db2.gz OAHNBGILUJXWNB-UHFFFAOYSA-N 1 2 230.271 1.386 20 0 BDADLO Cc1cc(C)nc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000582130412 346941715 /nfs/dbraw/zinc/94/17/15/346941715.db2.gz CHAJVHWJYHCSRZ-UHFFFAOYSA-N 1 2 247.342 1.979 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCOCC12CC2 ZINC000335889455 136358598 /nfs/dbraw/zinc/35/85/98/136358598.db2.gz KLEQJCJIPXMKDZ-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1ncsc1C[N@H+]1CCOCC12CC2 ZINC000335889455 136358599 /nfs/dbraw/zinc/35/85/99/136358599.db2.gz KLEQJCJIPXMKDZ-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000350669731 136362447 /nfs/dbraw/zinc/36/24/47/136362447.db2.gz NHDRJLWPAWLPRG-ZJUUUORDSA-N 1 2 229.283 1.589 20 0 BDADLO Cc1nc(N2C[C@H](O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000351501909 136368701 /nfs/dbraw/zinc/36/87/01/136368701.db2.gz IXZOKAXGDWOTJA-CPCISQLKSA-N 1 2 221.304 1.219 20 0 BDADLO Cc1cc(NCCc2cscn2)nc[nH+]1 ZINC000082626506 343457235 /nfs/dbraw/zinc/45/72/35/343457235.db2.gz NXUXNDGQIUZRPW-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO c1snnc1C[NH2+]CCOC1CCCC1 ZINC000082627191 343457264 /nfs/dbraw/zinc/45/72/64/343457264.db2.gz VFZOIWMIHHPVPL-UHFFFAOYSA-N 1 2 227.333 1.587 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2cc[nH+]c(N)c2)n1 ZINC000574888165 343477925 /nfs/dbraw/zinc/47/79/25/343477925.db2.gz PIWBWKIWXLFQSR-MRVPVSSYSA-N 1 2 247.302 1.379 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@](C)(O)C(C)C ZINC000570059113 323048957 /nfs/dbraw/zinc/04/89/57/323048957.db2.gz GEPNMBYXFIWYAW-GFCCVEGCSA-N 1 2 223.320 1.334 20 0 BDADLO Nc1ccc(NC(=O)C2CC=CC2)c[nH+]1 ZINC000082866193 343469529 /nfs/dbraw/zinc/46/95/29/343469529.db2.gz HZAMYRHYHVANNX-UHFFFAOYSA-N 1 2 203.245 1.569 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1ncccn1 ZINC000379947683 365756994 /nfs/dbraw/zinc/75/69/94/365756994.db2.gz DHZWBAWWWZSWMC-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO C=Cn1cc(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)cn1 ZINC000278214734 187340875 /nfs/dbraw/zinc/34/08/75/187340875.db2.gz KSVDZQNYJRXTPT-NSHDSACASA-N 1 2 248.330 1.036 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)cn1 ZINC000278214734 187340877 /nfs/dbraw/zinc/34/08/77/187340877.db2.gz KSVDZQNYJRXTPT-NSHDSACASA-N 1 2 248.330 1.036 20 0 BDADLO O=C(NCC1=CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000619998023 343543748 /nfs/dbraw/zinc/54/37/48/343543748.db2.gz RNFMDKBRPQLJHH-LBPRGKRZSA-N 1 2 245.326 1.672 20 0 BDADLO O=C(C(F)F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000278800039 187341334 /nfs/dbraw/zinc/34/13/34/187341334.db2.gz WJZVAXOBWDBPPF-SSDOTTSWSA-N 1 2 229.230 1.728 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1=CCCC1 ZINC000620008904 343560893 /nfs/dbraw/zinc/56/08/93/343560893.db2.gz WGRZGGBAIYEWGS-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000048113737 343571355 /nfs/dbraw/zinc/57/13/55/343571355.db2.gz LOVCLZOLEANTQG-VHSXEESVSA-N 1 2 236.319 1.369 20 0 BDADLO CCc1ncc(C[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000505663368 529753437 /nfs/dbraw/zinc/75/34/37/529753437.db2.gz RMDRXVSTPBWBBS-VIFPVBQESA-N 1 2 239.344 1.155 20 0 BDADLO CCc1ncc(C[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000505663368 529753438 /nfs/dbraw/zinc/75/34/38/529753438.db2.gz RMDRXVSTPBWBBS-VIFPVBQESA-N 1 2 239.344 1.155 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1ccc(O)cc1 ZINC000622745466 343606055 /nfs/dbraw/zinc/60/60/55/343606055.db2.gz LVLPAWGDKZFVQY-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1ccc(O)cc1 ZINC000622745466 343606056 /nfs/dbraw/zinc/60/60/56/343606056.db2.gz LVLPAWGDKZFVQY-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cccc(F)c1F ZINC000071273837 343647442 /nfs/dbraw/zinc/64/74/42/343647442.db2.gz QEXHGJOXLILNOI-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CC23CC3)cc[nH+]1 ZINC000584109500 343647452 /nfs/dbraw/zinc/64/74/52/343647452.db2.gz HPTHKDKXFUJJRD-SNVBAGLBSA-N 1 2 217.272 1.486 20 0 BDADLO COC(=O)C1(C[N@H+](C)Cc2cn[nH]c2C)CC1 ZINC000602943832 349825246 /nfs/dbraw/zinc/82/52/46/349825246.db2.gz RVKHSHWHIKTBCY-UHFFFAOYSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C1(C[N@@H+](C)Cc2cn[nH]c2C)CC1 ZINC000602943832 349825250 /nfs/dbraw/zinc/82/52/50/349825250.db2.gz RVKHSHWHIKTBCY-UHFFFAOYSA-N 1 2 237.303 1.103 20 0 BDADLO C[C@H](CCO)SCc1[nH+]ccn1C ZINC000083812497 343673566 /nfs/dbraw/zinc/67/35/66/343673566.db2.gz SATCYBXLSBWUTC-MRVPVSSYSA-N 1 2 200.307 1.424 20 0 BDADLO O=S1(=O)CCC[C@H]1CNc1cccc[nH+]1 ZINC000087972002 343678173 /nfs/dbraw/zinc/67/81/73/343678173.db2.gz ZQOFWJFUJBXTRU-VIFPVBQESA-N 1 2 226.301 1.071 20 0 BDADLO CCn1cc[nH+]c1CNc1cccnn1 ZINC000309065946 349830713 /nfs/dbraw/zinc/83/07/13/349830713.db2.gz ZKCMVLHJTSUULW-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CCOC1 ZINC000287449512 187346124 /nfs/dbraw/zinc/34/61/24/187346124.db2.gz HXWMGMZNJXVKNJ-NSHDSACASA-N 1 2 249.314 1.856 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ncc[nH]1 ZINC000049715472 187269956 /nfs/dbraw/zinc/26/99/56/187269956.db2.gz VMWZLTFDXIDKFV-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1ncccc1CNCc1[nH]cc[nH+]1 ZINC000049715472 187269957 /nfs/dbraw/zinc/26/99/57/187269957.db2.gz VMWZLTFDXIDKFV-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000287060468 187345822 /nfs/dbraw/zinc/34/58/22/187345822.db2.gz JFZOGPYOXNQPSS-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO CCc1nnc([C@H](C)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000625436644 343734205 /nfs/dbraw/zinc/73/42/05/343734205.db2.gz IUOQHEIRYCTQBB-QMMMGPOBSA-N 1 2 247.302 1.474 20 0 BDADLO CCOCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000048128773 343713963 /nfs/dbraw/zinc/71/39/63/343713963.db2.gz OBJJHOXWTCPMAJ-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cc1cnccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584175810 343769063 /nfs/dbraw/zinc/76/90/63/343769063.db2.gz MKSOCINJRYIFSE-NSHDSACASA-N 1 2 244.298 1.598 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C[C@H](C)O ZINC000291795829 187349668 /nfs/dbraw/zinc/34/96/68/187349668.db2.gz PXXDGEWEALLHRX-VIFPVBQESA-N 1 2 237.303 1.543 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C[C@H](O)C12CCC2 ZINC000624400967 343754010 /nfs/dbraw/zinc/75/40/10/343754010.db2.gz CUFPFFWVECLFNW-MNOVXSKESA-N 1 2 234.299 1.806 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](CO)CC1CC1 ZINC000624400453 343754068 /nfs/dbraw/zinc/75/40/68/343754068.db2.gz OMKXATCHQISFDH-LLVKDONJSA-N 1 2 236.315 1.911 20 0 BDADLO CC(=O)NCCC[N@H+](CC(F)F)C(C)C ZINC000128056093 343757037 /nfs/dbraw/zinc/75/70/37/343757037.db2.gz OIIMZASIGKMTAW-UHFFFAOYSA-N 1 2 222.279 1.488 20 0 BDADLO CC(=O)NCCC[N@@H+](CC(F)F)C(C)C ZINC000128056093 343757039 /nfs/dbraw/zinc/75/70/39/343757039.db2.gz OIIMZASIGKMTAW-UHFFFAOYSA-N 1 2 222.279 1.488 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(C)cc2)C1 ZINC000291501666 187348350 /nfs/dbraw/zinc/34/83/50/187348350.db2.gz VJSVNKQQYWHCKV-UHFFFAOYSA-N 1 2 218.300 1.315 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCSC1 ZINC000336498368 537814427 /nfs/dbraw/zinc/81/44/27/537814427.db2.gz GXIGZCCSTQSQGW-VIFPVBQESA-N 1 2 239.344 1.180 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627369935 346978126 /nfs/dbraw/zinc/97/81/26/346978126.db2.gz IEWRMYIJGCLQME-ZJUUUORDSA-N 1 2 233.315 1.731 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627369935 346978129 /nfs/dbraw/zinc/97/81/29/346978129.db2.gz IEWRMYIJGCLQME-ZJUUUORDSA-N 1 2 233.315 1.731 20 0 BDADLO Cc1ccc(C)c(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070991200 187275356 /nfs/dbraw/zinc/27/53/56/187275356.db2.gz HBIOFSBYTGZXKI-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000625488892 343884524 /nfs/dbraw/zinc/88/45/24/343884524.db2.gz IUDJEHHHOMFVNJ-ZCFIWIBFSA-N 1 2 235.209 1.614 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC000299612989 187354237 /nfs/dbraw/zinc/35/42/37/187354237.db2.gz OSUYZIYEIBNWRY-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO O[C@H]1C[C@@H](Nc2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631304546 343939806 /nfs/dbraw/zinc/93/98/06/343939806.db2.gz VNNMDCAYMGJLLX-DTORHVGOSA-N 1 2 244.298 1.192 20 0 BDADLO CCn1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)n1 ZINC000625512062 343914047 /nfs/dbraw/zinc/91/40/47/343914047.db2.gz BSAQZEVJBKJWLV-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO C[N@H+](CCOC1CCOCC1)Cc1cnc[nH]1 ZINC000625529258 343918799 /nfs/dbraw/zinc/91/87/99/343918799.db2.gz RSQLTOLAANGVNL-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC1CCOCC1)Cc1cnc[nH]1 ZINC000625529258 343918800 /nfs/dbraw/zinc/91/88/00/343918800.db2.gz RSQLTOLAANGVNL-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@H+](CCOC1CCOCC1)Cc1c[nH]cn1 ZINC000625529258 343918802 /nfs/dbraw/zinc/91/88/02/343918802.db2.gz RSQLTOLAANGVNL-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC1CCOCC1)Cc1c[nH]cn1 ZINC000625529258 343918804 /nfs/dbraw/zinc/91/88/04/343918804.db2.gz RSQLTOLAANGVNL-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO CN(C(=O)N1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000335887716 344043924 /nfs/dbraw/zinc/04/39/24/344043924.db2.gz VRHJQAWCSDYIFS-UHFFFAOYSA-N 1 2 248.330 1.693 20 0 BDADLO CCOCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000070257082 343950182 /nfs/dbraw/zinc/95/01/82/343950182.db2.gz IIJCESYWKSVUDP-UHFFFAOYSA-N 1 2 223.276 1.123 20 0 BDADLO Cc1csc([C@@H](C)[NH2+]Cc2cn(C)nn2)n1 ZINC000070732514 343954950 /nfs/dbraw/zinc/95/49/50/343954950.db2.gz UDKWHNRTGOJMHY-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO Cn1cc[nH+]c1CNc1cncc(Cl)n1 ZINC000070855178 343956866 /nfs/dbraw/zinc/95/68/66/343956866.db2.gz QXIJAAOCYZXKOP-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO CN(C[C@@H]1CCCOC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493870133 529950990 /nfs/dbraw/zinc/95/09/90/529950990.db2.gz WEAYKWFCKYEITB-ZWNMCFTASA-N 1 2 249.314 1.308 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625724896 344057277 /nfs/dbraw/zinc/05/72/77/344057277.db2.gz OYRVDVVZGJABJP-UHFFFAOYSA-N 1 2 248.326 1.576 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625724896 344057278 /nfs/dbraw/zinc/05/72/78/344057278.db2.gz OYRVDVVZGJABJP-UHFFFAOYSA-N 1 2 248.326 1.576 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727289 344058591 /nfs/dbraw/zinc/05/85/91/344058591.db2.gz VKGRWVWJIBXLLU-UHFFFAOYSA-N 1 2 234.299 1.186 20 0 BDADLO CCN(C)C(=O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727289 344058593 /nfs/dbraw/zinc/05/85/93/344058593.db2.gz VKGRWVWJIBXLLU-UHFFFAOYSA-N 1 2 234.299 1.186 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000625727931 344059401 /nfs/dbraw/zinc/05/94/01/344059401.db2.gz RELROTWGWFUMES-SNVBAGLBSA-N 1 2 247.216 1.631 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000625727931 344059403 /nfs/dbraw/zinc/05/94/03/344059403.db2.gz RELROTWGWFUMES-SNVBAGLBSA-N 1 2 247.216 1.631 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000641241317 362300092 /nfs/dbraw/zinc/30/00/92/362300092.db2.gz IWAOATAGZHFZOH-ZJUUUORDSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000641241404 362301009 /nfs/dbraw/zinc/30/10/09/362301009.db2.gz CALIHTLLLLVAOU-DTWKUNHWSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000641241404 362301011 /nfs/dbraw/zinc/30/10/11/362301011.db2.gz CALIHTLLLLVAOU-DTWKUNHWSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000641241607 362301047 /nfs/dbraw/zinc/30/10/47/362301047.db2.gz KNIPEZWLLDIWKF-NXEZZACHSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)CC1(C)COC1 ZINC000625792639 344075810 /nfs/dbraw/zinc/07/58/10/344075810.db2.gz LNHQTNYHKMZHNW-QMMMGPOBSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)CC1(C)COC1 ZINC000625792639 344075813 /nfs/dbraw/zinc/07/58/13/344075813.db2.gz LNHQTNYHKMZHNW-QMMMGPOBSA-N 1 2 227.333 1.567 20 0 BDADLO CC(=O)N1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000641264837 362338621 /nfs/dbraw/zinc/33/86/21/362338621.db2.gz DUPGVNIACGHBIH-UHFFFAOYSA-N 1 2 237.278 1.065 20 0 BDADLO CC(C)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330941261 187358729 /nfs/dbraw/zinc/35/87/29/187358729.db2.gz CUPKGOWFPOSQRK-VIFPVBQESA-N 1 2 223.320 1.848 20 0 BDADLO Cc1cncnc1NC[C@@H](C)Cn1cc[nH+]c1 ZINC000641298861 362349447 /nfs/dbraw/zinc/34/94/47/362349447.db2.gz HQUDVVNIGMAWSP-SNVBAGLBSA-N 1 2 231.303 1.152 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)C12CC(C1)C2 ZINC000625790388 344077714 /nfs/dbraw/zinc/07/77/14/344077714.db2.gz NFYDYEUNSBCRNQ-UHFFFAOYSA-N 1 2 247.342 1.955 20 0 BDADLO CC(=O)CCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330385104 187357824 /nfs/dbraw/zinc/35/78/24/187357824.db2.gz SEBOAQQULFBAER-UHFFFAOYSA-N 1 2 249.314 1.416 20 0 BDADLO CC(C)n1ncnc1C[NH+](C1CC1)C1CC1 ZINC000625842852 344094377 /nfs/dbraw/zinc/09/43/77/344094377.db2.gz MNQTUJCBFPRFGM-UHFFFAOYSA-N 1 2 220.320 1.986 20 0 BDADLO COC[C@H](C)CNc1cc(CO)cc[nH+]1 ZINC000641310812 362358363 /nfs/dbraw/zinc/35/83/63/362358363.db2.gz KAVHIJOGOJZKDL-SECBINFHSA-N 1 2 210.277 1.268 20 0 BDADLO Cc1noc(C)c1CNc1cc(CO)cc[nH+]1 ZINC000641309202 362359812 /nfs/dbraw/zinc/35/98/12/362359812.db2.gz OWHALVPWPMQFLQ-UHFFFAOYSA-N 1 2 233.271 1.791 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000683995519 488254169 /nfs/dbraw/zinc/25/41/69/488254169.db2.gz UQKAHCIDYGNZKM-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000683995519 488254170 /nfs/dbraw/zinc/25/41/70/488254170.db2.gz UQKAHCIDYGNZKM-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C)C2)[nH+]c1C ZINC000628126873 344156074 /nfs/dbraw/zinc/15/60/74/344156074.db2.gz LBXUMDLXFUHJDE-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1[nH]c(CN(C)C[C@H]2CCCO2)[nH+]c1C ZINC000628129775 344157893 /nfs/dbraw/zinc/15/78/93/344157893.db2.gz UFVMVMCMCNHWDL-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCO2)[nH]c1C ZINC000628129775 344157894 /nfs/dbraw/zinc/15/78/94/344157894.db2.gz UFVMVMCMCNHWDL-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCO2)[nH]c1C ZINC000628129775 344157896 /nfs/dbraw/zinc/15/78/96/344157896.db2.gz UFVMVMCMCNHWDL-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000588754235 344183670 /nfs/dbraw/zinc/18/36/70/344183670.db2.gz RUBHBXIPMWSRPC-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000588754235 344183673 /nfs/dbraw/zinc/18/36/73/344183673.db2.gz RUBHBXIPMWSRPC-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCCC1 ZINC000620499899 344191039 /nfs/dbraw/zinc/19/10/39/344191039.db2.gz BHCFMVHNMQJWDE-UHFFFAOYSA-N 1 2 207.277 1.286 20 0 BDADLO OC1(CNc2cc[nH+]cc2F)CCCCC1 ZINC000641325081 362364978 /nfs/dbraw/zinc/36/49/78/362364978.db2.gz UDPAKLJPTYLBOH-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCCC[C@H]2O)c1 ZINC000641329945 362365124 /nfs/dbraw/zinc/36/51/24/362365124.db2.gz RJPFBHINDCEXHM-GHMZBOCLSA-N 1 2 222.288 1.289 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000228173200 259374425 /nfs/dbraw/zinc/37/44/25/259374425.db2.gz MYNSXBCILJVDBY-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000228173200 259374427 /nfs/dbraw/zinc/37/44/27/259374427.db2.gz MYNSXBCILJVDBY-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)Nc1cc[nH+]cc1F ZINC000641339903 362369643 /nfs/dbraw/zinc/36/96/43/362369643.db2.gz TYBMAVGISAXRDZ-MRVPVSSYSA-N 1 2 234.278 1.858 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091558601 344282270 /nfs/dbraw/zinc/28/22/70/344282270.db2.gz GZAHJEILNGMUQD-SECBINFHSA-N 1 2 244.298 1.630 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091558601 344282271 /nfs/dbraw/zinc/28/22/71/344282271.db2.gz GZAHJEILNGMUQD-SECBINFHSA-N 1 2 244.298 1.630 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccon1 ZINC000622082573 344289882 /nfs/dbraw/zinc/28/98/82/344289882.db2.gz PRQWFPAVICBDDI-QMMMGPOBSA-N 1 2 234.259 1.382 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)OC ZINC000622082889 344290311 /nfs/dbraw/zinc/29/03/11/344290311.db2.gz UITFQKHWIHYSJG-BDAKNGLRSA-N 1 2 225.292 1.115 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C)no1 ZINC000056510686 344330551 /nfs/dbraw/zinc/33/05/51/344330551.db2.gz ANTGUEGZHNBDEY-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C)no1 ZINC000056510686 344330553 /nfs/dbraw/zinc/33/05/53/344330553.db2.gz ANTGUEGZHNBDEY-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H](C)O[C@@H]2C)cc[nH+]1 ZINC000385118720 344331487 /nfs/dbraw/zinc/33/14/87/344331487.db2.gz JXELHJPWMWJBIV-NQMVMOMDSA-N 1 2 207.277 1.763 20 0 BDADLO CCC[C@H](C[NH2+][C@H](CC)C(=O)OC)OCC ZINC000600605257 344339044 /nfs/dbraw/zinc/33/90/44/344339044.db2.gz MEVCQTPBWLSFOG-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1c[nH+]c(CCSCCC(N)=O)c(C)c1 ZINC000600604843 344339163 /nfs/dbraw/zinc/33/91/63/344339163.db2.gz HIQJVAOJAZYCFH-UHFFFAOYSA-N 1 2 238.356 1.850 20 0 BDADLO Cc1nnc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)o1 ZINC000600631169 344346053 /nfs/dbraw/zinc/34/60/53/344346053.db2.gz UGNVWHNXRCGHBJ-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)o1 ZINC000600631169 344346055 /nfs/dbraw/zinc/34/60/55/344346055.db2.gz UGNVWHNXRCGHBJ-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C2CC2)C1 ZINC000582021775 347047219 /nfs/dbraw/zinc/04/72/19/347047219.db2.gz CPHGHQUCNZGVGG-LLVKDONJSA-N 1 2 233.315 1.221 20 0 BDADLO Cc1nc(C(=O)N[C@H](C)c2[nH+]ccn2C)co1 ZINC000620603051 344352636 /nfs/dbraw/zinc/35/26/36/344352636.db2.gz DTOPOQMPEGOWAE-SSDOTTSWSA-N 1 2 234.259 1.208 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)c1[nH+]ccn1C ZINC000620603408 344354190 /nfs/dbraw/zinc/35/41/90/344354190.db2.gz HOCHBLAMAGEUDI-OPQQBVKSSA-N 1 2 249.314 1.024 20 0 BDADLO CCC(CC)[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641372456 362380858 /nfs/dbraw/zinc/38/08/58/362380858.db2.gz ZDTCONYAOHZZHM-GFCCVEGCSA-N 1 2 238.331 1.783 20 0 BDADLO CCOCCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000092962944 344307550 /nfs/dbraw/zinc/30/75/50/344307550.db2.gz FHXLVOOVJHALKJ-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO Cc1cccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000584297109 344436796 /nfs/dbraw/zinc/43/67/96/344436796.db2.gz VVKWQWIGTUYBMF-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO CC1(C)[C@H](Nc2cc[nH+]cc2F)[C@H]2CCO[C@@H]21 ZINC000641393424 362390644 /nfs/dbraw/zinc/39/06/44/362390644.db2.gz VBJIYQHASHURDE-FXAINCCUSA-N 1 2 236.290 1.868 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000041053387 344416489 /nfs/dbraw/zinc/41/64/89/344416489.db2.gz FWIKESVIFWCROG-WDEREUQCSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(C)C ZINC000400259816 344449252 /nfs/dbraw/zinc/44/92/52/344449252.db2.gz SKCCDLXLOJAITO-MNOVXSKESA-N 1 2 229.320 1.199 20 0 BDADLO Fc1c[nH+]ccc1NCCOC[C@H]1CCCO1 ZINC000641399364 362393051 /nfs/dbraw/zinc/39/30/51/362393051.db2.gz RLDAWGBMUAZQJJ-SNVBAGLBSA-N 1 2 240.278 1.250 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H]2CCOC2)cs1 ZINC000106883447 344477688 /nfs/dbraw/zinc/47/76/88/344477688.db2.gz ABJFTGVEKXXPFP-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H]2CCOC2)cs1 ZINC000106883447 344477689 /nfs/dbraw/zinc/47/76/89/344477689.db2.gz ABJFTGVEKXXPFP-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)[C@H]1CCOC1 ZINC000641399197 362393936 /nfs/dbraw/zinc/39/39/36/362393936.db2.gz ZHRIXOPCTAGBNB-KOLCDFICSA-N 1 2 222.288 1.411 20 0 BDADLO CC(C)c1nc(NC[C@H](C)CCO)cc[nH+]1 ZINC000381482091 344511573 /nfs/dbraw/zinc/51/15/73/344511573.db2.gz TUCFHFHGDAEKMY-SNVBAGLBSA-N 1 2 223.320 1.452 20 0 BDADLO NC(=O)c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000381621619 344527266 /nfs/dbraw/zinc/52/72/66/344527266.db2.gz CGWICXUEVPPAAZ-UHFFFAOYSA-N 1 2 216.244 1.121 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCSC2)c1 ZINC000641402428 362396889 /nfs/dbraw/zinc/39/68/89/362396889.db2.gz HWYZZIIHZJOKBB-VIFPVBQESA-N 1 2 210.302 1.491 20 0 BDADLO CC(C)c1noc(OCc2cn(C)c[nH+]2)n1 ZINC000641451778 362425327 /nfs/dbraw/zinc/42/53/27/362425327.db2.gz UXFZAYCSUSFYQR-UHFFFAOYSA-N 1 2 222.248 1.506 20 0 BDADLO CC(C)c1noc(OCc2ccc[nH+]c2N)n1 ZINC000641452010 362425756 /nfs/dbraw/zinc/42/57/56/362425756.db2.gz YIMUHWWLMQJSGT-UHFFFAOYSA-N 1 2 234.259 1.749 20 0 BDADLO CC1(C)C[C@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641459685 362433085 /nfs/dbraw/zinc/43/30/85/362433085.db2.gz ASWKCNRDCSVYBB-LLVKDONJSA-N 1 2 236.315 1.943 20 0 BDADLO CN(C[C@H]1CCC[C@H]1O)c1cc[nH+]cc1F ZINC000641460799 362433478 /nfs/dbraw/zinc/43/34/78/362433478.db2.gz CSCGROFWSKHROT-BXKDBHETSA-N 1 2 224.279 1.818 20 0 BDADLO C[C@@H](CO)CSCc1cn(C)c[nH+]1 ZINC000603318988 349913809 /nfs/dbraw/zinc/91/38/09/349913809.db2.gz JZXCQGIFJLQKIV-QMMMGPOBSA-N 1 2 200.307 1.282 20 0 BDADLO CCc1nnc(CNc2cc[nH+]cc2F)o1 ZINC000641461021 362435604 /nfs/dbraw/zinc/43/56/04/362435604.db2.gz FXNFKITXCDFSRM-UHFFFAOYSA-N 1 2 222.223 1.200 20 0 BDADLO CCc1nnc(CNc2cc(CO)cc[nH+]2)o1 ZINC000641462083 362436589 /nfs/dbraw/zinc/43/65/89/362436589.db2.gz PEIWODGTRGLZFN-UHFFFAOYSA-N 1 2 234.259 1.131 20 0 BDADLO Cc1c(CNc2cc(CO)cc[nH+]2)cnn1C ZINC000641461876 362436691 /nfs/dbraw/zinc/43/66/91/362436691.db2.gz DFAHJLVASCRKHA-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO Cc1ocnc1CNc1cc(CO)cc[nH+]1 ZINC000641465566 362438754 /nfs/dbraw/zinc/43/87/54/362438754.db2.gz GFOHQUYOWGWKSF-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1[nH]cc[nH+]1 ZINC000111213227 344584131 /nfs/dbraw/zinc/58/41/31/344584131.db2.gz IWUNRSFWGGFQTP-UHFFFAOYSA-N 1 2 219.292 1.165 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641476125 362448696 /nfs/dbraw/zinc/44/86/96/362448696.db2.gz XOABDDSCZDIVEZ-MWLCHTKSSA-N 1 2 222.288 1.553 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1F ZINC000641481382 362448875 /nfs/dbraw/zinc/44/88/75/362448875.db2.gz XMRITKMOADSJDT-JOYOIKCWSA-N 1 2 224.279 1.870 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](C)O1 ZINC000641482015 362450131 /nfs/dbraw/zinc/45/01/31/362450131.db2.gz YUWXWESLNFVENX-DTORHVGOSA-N 1 2 210.252 1.834 20 0 BDADLO CC(C)c1nnc(CNc2cc[nH+]cc2F)n1C ZINC000641482155 362450270 /nfs/dbraw/zinc/45/02/70/362450270.db2.gz HEXGDOANGCTENI-UHFFFAOYSA-N 1 2 249.293 1.507 20 0 BDADLO CC(C)[C@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641483947 362452575 /nfs/dbraw/zinc/45/25/75/362452575.db2.gz YGXSKDHRKXHUBA-GFCCVEGCSA-N 1 2 236.315 1.435 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641486806 362453791 /nfs/dbraw/zinc/45/37/91/362453791.db2.gz CNFFPSGXWHLNBO-IUCAKERBSA-N 1 2 210.277 1.145 20 0 BDADLO OCC[C@H]1CCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641503920 362466660 /nfs/dbraw/zinc/46/66/60/362466660.db2.gz JAVGZTFIVKKUPW-KOLCDFICSA-N 1 2 224.279 1.606 20 0 BDADLO CC1(C)[C@H](Nc2cc(CO)cc[nH+]2)C[C@@H]1O ZINC000641504153 362468144 /nfs/dbraw/zinc/46/81/44/362468144.db2.gz WIURGFCOBSAVLF-ZJUUUORDSA-N 1 2 222.288 1.145 20 0 BDADLO CN(CC1(O)CCOCC1)c1cc[nH+]cc1F ZINC000641535030 362484052 /nfs/dbraw/zinc/48/40/52/362484052.db2.gz KEQLVWTUDAFJLS-UHFFFAOYSA-N 1 2 240.278 1.198 20 0 BDADLO CCOC(C)(C)CNc1cc[nH+]cc1F ZINC000641537823 362487703 /nfs/dbraw/zinc/48/77/03/362487703.db2.gz WYLBFNGDXJWMAO-UHFFFAOYSA-N 1 2 212.268 1.870 20 0 BDADLO CN(Cc1ccncc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492770876 530010226 /nfs/dbraw/zinc/01/02/26/530010226.db2.gz GWVMRJDUFHVDDQ-IHWYPQMZSA-N 1 2 242.282 1.477 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)nc1 ZINC000626005228 344667377 /nfs/dbraw/zinc/66/73/77/344667377.db2.gz YFGZFZQKCYYUGL-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)nc1 ZINC000626005228 344667378 /nfs/dbraw/zinc/66/73/78/344667378.db2.gz YFGZFZQKCYYUGL-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626019264 344674937 /nfs/dbraw/zinc/67/49/37/344674937.db2.gz RHHVTTRZKWTDMV-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626019264 344674941 /nfs/dbraw/zinc/67/49/41/344674941.db2.gz RHHVTTRZKWTDMV-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000578065010 344694295 /nfs/dbraw/zinc/69/42/95/344694295.db2.gz ADMWCNFBIVEGOT-NWDGAFQWSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000578065010 344694297 /nfs/dbraw/zinc/69/42/97/344694297.db2.gz ADMWCNFBIVEGOT-NWDGAFQWSA-N 1 2 233.315 1.647 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)s1 ZINC000626046581 344697710 /nfs/dbraw/zinc/69/77/10/344697710.db2.gz JWLJSKLRSFGBEC-DTORHVGOSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)s1 ZINC000626046581 344697712 /nfs/dbraw/zinc/69/77/12/344697712.db2.gz JWLJSKLRSFGBEC-DTORHVGOSA-N 1 2 241.360 1.303 20 0 BDADLO COCc1nc(C)cc(-n2cc[nH+]c2)n1 ZINC000075041141 344763003 /nfs/dbraw/zinc/76/30/03/344763003.db2.gz COXSUJUGJMLOHH-UHFFFAOYSA-N 1 2 204.233 1.117 20 0 BDADLO Cc1[nH]c(C(=O)NCCC(F)(F)F)c[nH+]1 ZINC000075392369 344770441 /nfs/dbraw/zinc/77/04/41/344770441.db2.gz MJKJYFOTJQNXGF-UHFFFAOYSA-N 1 2 221.182 1.400 20 0 BDADLO CSCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557043 344779261 /nfs/dbraw/zinc/77/92/61/344779261.db2.gz YUICLQOVYJPMEB-SECBINFHSA-N 1 2 239.344 1.479 20 0 BDADLO NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000583359078 344785165 /nfs/dbraw/zinc/78/51/65/344785165.db2.gz HNHGEOPQXAVJRF-UHFFFAOYSA-N 1 2 248.330 1.478 20 0 BDADLO CC(C)=CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000075848753 344785537 /nfs/dbraw/zinc/78/55/37/344785537.db2.gz OGODCOYQDKYLGM-SNVBAGLBSA-N 1 2 207.277 1.354 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000075777721 344791925 /nfs/dbraw/zinc/79/19/25/344791925.db2.gz RWDLCIDTMKLWND-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000075777721 344791928 /nfs/dbraw/zinc/79/19/28/344791928.db2.gz RWDLCIDTMKLWND-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CCC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000291249278 537860300 /nfs/dbraw/zinc/86/03/00/537860300.db2.gz OTILVROTUXVUIM-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]CC(=O)OC)C12CCC2 ZINC000083684682 133529831 /nfs/dbraw/zinc/52/98/31/133529831.db2.gz REXSFZGKCHLRBK-UWVGGRQHSA-N 1 2 227.304 1.097 20 0 BDADLO O[C@H](CNc1cccc[nH+]1)C1CCOCC1 ZINC000076690584 344808193 /nfs/dbraw/zinc/80/81/93/344808193.db2.gz MFFKJDOSDAHYGZ-LLVKDONJSA-N 1 2 222.288 1.281 20 0 BDADLO CCCC[C@H](COC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000077027857 344812239 /nfs/dbraw/zinc/81/22/39/344812239.db2.gz QHIJYAFGTWLQOI-SNVBAGLBSA-N 1 2 239.319 1.653 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC=CCC1 ZINC000077537318 344822222 /nfs/dbraw/zinc/82/22/22/344822222.db2.gz DXARLTDNIZTHOY-VXGBXAGGSA-N 1 2 248.330 1.680 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1F ZINC000424797341 192078715 /nfs/dbraw/zinc/07/87/15/192078715.db2.gz RHACXPUCLGZRAJ-PTRXPTGYSA-N 1 2 237.278 1.062 20 0 BDADLO CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000078399536 344859737 /nfs/dbraw/zinc/85/97/37/344859737.db2.gz PUHXUGWBIFTHLM-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO COC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000078296969 344843555 /nfs/dbraw/zinc/84/35/55/344843555.db2.gz DLFRGSALUDXOOO-JTQLQIEISA-N 1 2 207.277 1.258 20 0 BDADLO CC(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000408240301 344864109 /nfs/dbraw/zinc/86/41/09/344864109.db2.gz LKPFBCGTQKLAIT-UHFFFAOYSA-N 1 2 234.303 1.208 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@H](C)O)[nH]c1C ZINC000628178674 344912885 /nfs/dbraw/zinc/91/28/85/344912885.db2.gz XTPDCZLPXDBLNX-QMMMGPOBSA-N 1 2 211.309 1.229 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@H](C)O)[nH]c1C ZINC000628178674 344912888 /nfs/dbraw/zinc/91/28/88/344912888.db2.gz XTPDCZLPXDBLNX-QMMMGPOBSA-N 1 2 211.309 1.229 20 0 BDADLO Cc1[nH]c(CN(C)CC[C@H](C)O)[nH+]c1C ZINC000628178674 344912891 /nfs/dbraw/zinc/91/28/91/344912891.db2.gz XTPDCZLPXDBLNX-QMMMGPOBSA-N 1 2 211.309 1.229 20 0 BDADLO CCC1(O)CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000628183215 344929237 /nfs/dbraw/zinc/92/92/37/344929237.db2.gz UIZJVLRQQZFFLM-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)o1 ZINC000628183797 344932371 /nfs/dbraw/zinc/93/23/71/344932371.db2.gz NQRVKOVXRMTPRF-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C2CC2)o1 ZINC000628183797 344932375 /nfs/dbraw/zinc/93/23/75/344932375.db2.gz NQRVKOVXRMTPRF-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1[nH]c(CN2CCOCC23CCC3)[nH+]c1C ZINC000628179518 344915551 /nfs/dbraw/zinc/91/55/51/344915551.db2.gz DAQRYUDBOUKSOX-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000628180552 344918222 /nfs/dbraw/zinc/91/82/22/344918222.db2.gz UBXXXKLOTZWTLD-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000628180552 344918224 /nfs/dbraw/zinc/91/82/24/344918224.db2.gz UBXXXKLOTZWTLD-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CC[C@@H](O)C2)c1 ZINC000641550850 362496370 /nfs/dbraw/zinc/49/63/70/362496370.db2.gz XWNYZNNDFGRSJT-GXSJLCMTSA-N 1 2 222.288 1.147 20 0 BDADLO CN1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628180729 344921384 /nfs/dbraw/zinc/92/13/84/344921384.db2.gz CDHKDWBWZOZJMS-NSHDSACASA-N 1 2 249.314 1.215 20 0 BDADLO CN1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628180729 344921386 /nfs/dbraw/zinc/92/13/86/344921386.db2.gz CDHKDWBWZOZJMS-NSHDSACASA-N 1 2 249.314 1.215 20 0 BDADLO Cc1ncc2c(n1)CC[N@@H+](CCOCC1CC1)C2 ZINC000525634257 344954065 /nfs/dbraw/zinc/95/40/65/344954065.db2.gz KEJPEBFRKUKQDY-UHFFFAOYSA-N 1 2 247.342 1.570 20 0 BDADLO Cc1ncc2c(n1)CC[N@H+](CCOCC1CC1)C2 ZINC000525634257 344954067 /nfs/dbraw/zinc/95/40/67/344954067.db2.gz KEJPEBFRKUKQDY-UHFFFAOYSA-N 1 2 247.342 1.570 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](OC(C)C)C2)n1C ZINC000583438665 344959591 /nfs/dbraw/zinc/95/95/91/344959591.db2.gz XUUFVLIOLDOOJQ-LLVKDONJSA-N 1 2 238.335 1.123 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](OC(C)C)C2)n1C ZINC000583438665 344959593 /nfs/dbraw/zinc/95/95/93/344959593.db2.gz XUUFVLIOLDOOJQ-LLVKDONJSA-N 1 2 238.335 1.123 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1CCC1 ZINC000079577376 344991898 /nfs/dbraw/zinc/99/18/98/344991898.db2.gz ACWMEIQJQMPTQC-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)Cc1cccnc1 ZINC000137675295 187298961 /nfs/dbraw/zinc/29/89/61/187298961.db2.gz CBWGDIPCCMWRQU-UHFFFAOYSA-N 1 2 235.331 1.286 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000137675295 187298963 /nfs/dbraw/zinc/29/89/63/187298963.db2.gz CBWGDIPCCMWRQU-UHFFFAOYSA-N 1 2 235.331 1.286 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccccc1 ZINC000128113235 187298052 /nfs/dbraw/zinc/29/80/52/187298052.db2.gz AWPCFFFTUSWMFG-SNVBAGLBSA-N 1 2 216.288 1.666 20 0 BDADLO CC[C@@H](O)CCC[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000357516769 345051959 /nfs/dbraw/zinc/05/19/59/345051959.db2.gz RSQGHXWBJCNISU-SNVBAGLBSA-N 1 2 233.315 1.948 20 0 BDADLO Cn1c[nH+]c(CSC2CCOCC2)c1 ZINC000603322954 349922300 /nfs/dbraw/zinc/92/23/00/349922300.db2.gz AZCPPXPWKIDNGW-UHFFFAOYSA-N 1 2 212.318 1.832 20 0 BDADLO CC(C)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079722815 345026175 /nfs/dbraw/zinc/02/61/75/345026175.db2.gz PSTPWFJYPSRECU-UHFFFAOYSA-N 1 2 221.304 1.766 20 0 BDADLO COC(=O)C[N@H+](CCOCCC(C)C)C1CC1 ZINC000079767335 345033557 /nfs/dbraw/zinc/03/35/57/345033557.db2.gz XOEGZIRWZWJPON-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)C[N@@H+](CCOCCC(C)C)C1CC1 ZINC000079767335 345033560 /nfs/dbraw/zinc/03/35/60/345033560.db2.gz XOEGZIRWZWJPON-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)c1nnc(CNc2cc(CO)cc[nH+]2)[nH]1 ZINC000641615274 362548820 /nfs/dbraw/zinc/54/88/20/362548820.db2.gz KCAQWMOXDYAPIC-UHFFFAOYSA-N 1 2 247.302 1.428 20 0 BDADLO Cc1ncsc1CCNc1cc(CO)cc[nH+]1 ZINC000641617692 362551768 /nfs/dbraw/zinc/55/17/68/362551768.db2.gz NLCCVWDBZUTMDK-UHFFFAOYSA-N 1 2 249.339 1.993 20 0 BDADLO CC(C)[C@@H](CO)CNc1cc(CO)cc[nH+]1 ZINC000641604886 362542301 /nfs/dbraw/zinc/54/23/01/362542301.db2.gz PMYIZHZHSFFUIU-LLVKDONJSA-N 1 2 224.304 1.250 20 0 BDADLO CSCCCCC(=O)NCc1c[nH+]cn1C ZINC000291251480 349923378 /nfs/dbraw/zinc/92/33/78/349923378.db2.gz OXYNUJPPWSIYKH-UHFFFAOYSA-N 1 2 241.360 1.570 20 0 BDADLO Fc1c[nH+]ccc1N1CCC[C@@H](n2ccnn2)C1 ZINC000641641894 362568503 /nfs/dbraw/zinc/56/85/03/362568503.db2.gz QVQDLYGYUSIFBB-SNVBAGLBSA-N 1 2 247.277 1.654 20 0 BDADLO C[C@H]1SCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641646665 362572367 /nfs/dbraw/zinc/57/23/67/362572367.db2.gz LLFRDZOKDBUAJN-APPZFPTMSA-N 1 2 212.293 1.949 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641646547 362573296 /nfs/dbraw/zinc/57/32/96/362573296.db2.gz UREMSVKWFGBKOX-ZJUUUORDSA-N 1 2 226.295 1.852 20 0 BDADLO CCC[C@H](C)[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641650068 362574430 /nfs/dbraw/zinc/57/44/30/362574430.db2.gz MVNODDJRVCOWJQ-CMPLNLGQSA-N 1 2 238.331 1.783 20 0 BDADLO Cc1nsc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000641649398 362575996 /nfs/dbraw/zinc/57/59/96/362575996.db2.gz ZFBQCAQAUQTRQJ-DTWKUNHWSA-N 1 2 240.376 1.409 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155749492 345100782 /nfs/dbraw/zinc/10/07/82/345100782.db2.gz LVXAVDQBSDFDIO-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1cnc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000080137437 345104029 /nfs/dbraw/zinc/10/40/29/345104029.db2.gz QUBYMFIMJBUVSJ-MRVPVSSYSA-N 1 2 249.274 1.390 20 0 BDADLO OCc1cc[nH+]c(NCCC2(CO)CCC2)c1 ZINC000641651637 362578711 /nfs/dbraw/zinc/57/87/11/362578711.db2.gz DONZKRFHFWZZJX-UHFFFAOYSA-N 1 2 236.315 1.539 20 0 BDADLO CC1(CS(=O)(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000641624666 362556268 /nfs/dbraw/zinc/55/62/68/362556268.db2.gz YHDMOUDVUGRKBH-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO CC1(CS(=O)(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000641624666 362556272 /nfs/dbraw/zinc/55/62/72/362556272.db2.gz YHDMOUDVUGRKBH-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO C[C@H]1CC[C@@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641627323 362556393 /nfs/dbraw/zinc/55/63/93/362556393.db2.gz MUGXPFRCNDZOSJ-ONGXEEELSA-N 1 2 222.288 1.553 20 0 BDADLO COC[C@]1(CO)CCN(c2cc[nH+]cc2F)C1 ZINC000641624964 362557999 /nfs/dbraw/zinc/55/79/99/362557999.db2.gz QODUMRCRFNAODR-GFCCVEGCSA-N 1 2 240.278 1.056 20 0 BDADLO CC(C)(C)c1nnc(CNc2cc[nH+]cc2F)[nH]1 ZINC000641628732 362559120 /nfs/dbraw/zinc/55/91/20/362559120.db2.gz PTTFLXUAZZDJCL-UHFFFAOYSA-N 1 2 249.293 1.670 20 0 BDADLO CC(C)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000155141551 187300694 /nfs/dbraw/zinc/30/06/94/187300694.db2.gz PWTQJSZXHMVYQO-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO C[C@H]1[C@H](CO)CCCN1c1cc[nH+]cc1F ZINC000641639745 362567352 /nfs/dbraw/zinc/56/73/52/362567352.db2.gz XANQQFMRXNNMLY-UWVGGRQHSA-N 1 2 224.279 1.818 20 0 BDADLO CCc1cc(N[C@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000127239296 345166576 /nfs/dbraw/zinc/16/65/76/345166576.db2.gz NNGARBSBALCNMA-NXEZZACHSA-N 1 2 221.304 1.876 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccon1)[C@@H](O)C(F)(F)F ZINC000634973631 345152645 /nfs/dbraw/zinc/15/26/45/345152645.db2.gz GTIHDMHHIVWCMH-HTQZYQBOSA-N 1 2 238.209 1.466 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCCCC2)[nH+]1 ZINC000635053153 345229652 /nfs/dbraw/zinc/22/96/52/345229652.db2.gz FCHMLDUEFZEASX-UHFFFAOYSA-N 1 2 235.331 1.917 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCC2)[nH+]1 ZINC000635058325 345232286 /nfs/dbraw/zinc/23/22/86/345232286.db2.gz DESQQJJQQFPSCY-UHFFFAOYSA-N 1 2 207.277 1.137 20 0 BDADLO CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635070314 345239141 /nfs/dbraw/zinc/23/91/41/345239141.db2.gz TVUPWRWCSLECKM-SNVBAGLBSA-N 1 2 209.293 1.606 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CCSCC1 ZINC000574891226 345247201 /nfs/dbraw/zinc/24/72/01/345247201.db2.gz VCAGLKSEPBRBMN-UHFFFAOYSA-N 1 2 239.344 1.143 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2nccs2)[nH+]1 ZINC000635148721 345259843 /nfs/dbraw/zinc/25/98/43/345259843.db2.gz ZCCYBQQZCVZYAH-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO COc1cccc(CCC[N@@H+]2CCNC(=O)C2)c1 ZINC000158327492 345321094 /nfs/dbraw/zinc/32/10/94/345321094.db2.gz DNBFOBYCHUHDGR-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO COc1cccc(CCC[N@H+]2CCNC(=O)C2)c1 ZINC000158327492 345321098 /nfs/dbraw/zinc/32/10/98/345321098.db2.gz DNBFOBYCHUHDGR-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000635217473 345274421 /nfs/dbraw/zinc/27/44/21/345274421.db2.gz RFRSQGUUZKEVIS-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC000635217473 345274423 /nfs/dbraw/zinc/27/44/23/345274423.db2.gz RFRSQGUUZKEVIS-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000635244044 345281662 /nfs/dbraw/zinc/28/16/62/345281662.db2.gz MRFDWGDHKQTKNG-GWOFURMSSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)CO1 ZINC000635244044 345281666 /nfs/dbraw/zinc/28/16/66/345281666.db2.gz MRFDWGDHKQTKNG-GWOFURMSSA-N 1 2 249.314 1.149 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635254198 345287525 /nfs/dbraw/zinc/28/75/25/345287525.db2.gz ZKZGFLPTXXSBCU-GHMZBOCLSA-N 1 2 233.315 1.820 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635254198 345287529 /nfs/dbraw/zinc/28/75/29/345287529.db2.gz ZKZGFLPTXXSBCU-GHMZBOCLSA-N 1 2 233.315 1.820 20 0 BDADLO C[C@@H](C[S@](C)=O)N(C)c1cc[nH+]cc1F ZINC000603333715 349926507 /nfs/dbraw/zinc/92/65/07/349926507.db2.gz HYGRURZXPWATJN-AYVTZFPOSA-N 1 2 230.308 1.424 20 0 BDADLO C[C@@H]1CCC[C@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641658456 362583103 /nfs/dbraw/zinc/58/31/03/362583103.db2.gz GGRWFTGFAXTAIY-ZYHUDNBSSA-N 1 2 236.315 1.943 20 0 BDADLO CCCC[N@H+](CCOC)Cc1nnc(CC)[nH]1 ZINC000158504190 345340791 /nfs/dbraw/zinc/34/07/91/345340791.db2.gz SUNAITOJCUVYKV-UHFFFAOYSA-N 1 2 240.351 1.616 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1nnc(CC)[nH]1 ZINC000158504190 345340793 /nfs/dbraw/zinc/34/07/93/345340793.db2.gz SUNAITOJCUVYKV-UHFFFAOYSA-N 1 2 240.351 1.616 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427990653 345358917 /nfs/dbraw/zinc/35/89/17/345358917.db2.gz IWGDWTAWAXOVHW-SRVKXCTJSA-N 1 2 249.358 1.996 20 0 BDADLO COc1cccnc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635451878 345377365 /nfs/dbraw/zinc/37/73/65/345377365.db2.gz CFXBICLXSZDEQY-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO COc1cccnc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635451878 345377367 /nfs/dbraw/zinc/37/73/67/345377367.db2.gz CFXBICLXSZDEQY-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cnoc2)[nH+]1 ZINC000635463216 345380821 /nfs/dbraw/zinc/38/08/21/345380821.db2.gz HIAKMPOWYFATRL-UHFFFAOYSA-N 1 2 220.232 1.141 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC[C@H](F)C1)c1c[nH]c[nH+]1 ZINC000574893264 345431513 /nfs/dbraw/zinc/43/15/13/345431513.db2.gz RLVMWUOYUOEYRA-DTWKUNHWSA-N 1 2 239.294 1.694 20 0 BDADLO C[C@](O)(C[N@@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000335570289 345398233 /nfs/dbraw/zinc/39/82/33/345398233.db2.gz HZVCQKJCQRNCOH-VIFPVBQESA-N 1 2 241.253 1.411 20 0 BDADLO C[C@](O)(C[N@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000335570289 345398238 /nfs/dbraw/zinc/39/82/38/345398238.db2.gz HZVCQKJCQRNCOH-VIFPVBQESA-N 1 2 241.253 1.411 20 0 BDADLO O=C(NC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635536647 345493521 /nfs/dbraw/zinc/49/35/21/345493521.db2.gz WVGYIMXWICMJMD-RKDXNWHRSA-N 1 2 205.261 1.182 20 0 BDADLO O=C(NC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635536647 345493525 /nfs/dbraw/zinc/49/35/25/345493525.db2.gz WVGYIMXWICMJMD-RKDXNWHRSA-N 1 2 205.261 1.182 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC([C@H](C)O)C2)[nH+]1 ZINC000641658569 362583655 /nfs/dbraw/zinc/58/36/55/362583655.db2.gz HRHKXSBNDVEBLJ-ZETCQYMHSA-N 1 2 232.287 1.083 20 0 BDADLO CC(C)(Nc1cc2c(nn1)CCC2)c1[nH]cc[nH+]1 ZINC000641663184 362586920 /nfs/dbraw/zinc/58/69/20/362586920.db2.gz PVDYXZUFDCHCCY-UHFFFAOYSA-N 1 2 243.314 1.458 20 0 BDADLO C[C@H]1CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000335603029 187304436 /nfs/dbraw/zinc/30/44/36/187304436.db2.gz GIIFJBVNFWKWNG-WCBMZHEXSA-N 1 2 203.289 1.986 20 0 BDADLO CC(C)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000080979162 345457557 /nfs/dbraw/zinc/45/75/57/345457557.db2.gz OVUSRMLMJQHEOR-UHFFFAOYSA-N 1 2 247.342 1.776 20 0 BDADLO C[C@@H](O)CCN(C)c1cc[nH+]c2ccncc21 ZINC000085688514 345528692 /nfs/dbraw/zinc/52/86/92/345528692.db2.gz USERSAZTGRDPAH-SNVBAGLBSA-N 1 2 231.299 1.837 20 0 BDADLO Cc1cc(C(=O)NC[C@H](C)CO)c2[nH+]ccn2c1 ZINC000626129464 345572054 /nfs/dbraw/zinc/57/20/54/345572054.db2.gz LHSHFCUIPFLJBR-JTQLQIEISA-N 1 2 247.298 1.001 20 0 BDADLO CCCN(CC(=O)N(C)C)c1cccc[nH+]1 ZINC000091455588 345592646 /nfs/dbraw/zinc/59/26/46/345592646.db2.gz LYPYCTZVMHWWGR-UHFFFAOYSA-N 1 2 221.304 1.386 20 0 BDADLO CC(C)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091578793 345598040 /nfs/dbraw/zinc/59/80/40/345598040.db2.gz XTHZCQZHXMGRRI-VIFPVBQESA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091578793 345598042 /nfs/dbraw/zinc/59/80/42/345598042.db2.gz XTHZCQZHXMGRRI-VIFPVBQESA-N 1 2 224.308 1.109 20 0 BDADLO CSC1(CNc2cc[nH+]cc2F)CC1 ZINC000603364305 349933438 /nfs/dbraw/zinc/93/34/38/349933438.db2.gz BNUMOZNUXZMDOI-UHFFFAOYSA-N 1 2 212.293 1.950 20 0 BDADLO CCC1(CO)CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000093592529 345662273 /nfs/dbraw/zinc/66/22/73/345662273.db2.gz AQVGPPBCRRZCFY-UHFFFAOYSA-N 1 2 237.347 1.703 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1occc1C ZINC000093771729 345664347 /nfs/dbraw/zinc/66/43/47/345664347.db2.gz PCDGWCGCCOAIHD-LLVKDONJSA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1occc1C ZINC000093771729 345664350 /nfs/dbraw/zinc/66/43/50/345664350.db2.gz PCDGWCGCCOAIHD-LLVKDONJSA-N 1 2 236.315 1.689 20 0 BDADLO CC(C)=C(C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000635553135 345648436 /nfs/dbraw/zinc/64/84/36/345648436.db2.gz YWDGHFICIMWUHN-UHFFFAOYSA-N 1 2 207.277 1.772 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000641679160 362601272 /nfs/dbraw/zinc/60/12/72/362601272.db2.gz HXGABLOQHOMJOD-DTORHVGOSA-N 1 2 210.252 1.480 20 0 BDADLO O[C@H](CCNc1cc[nH+]cc1F)C(F)F ZINC000641681229 362603552 /nfs/dbraw/zinc/60/35/52/362603552.db2.gz DFDSVYITPBMKAI-MRVPVSSYSA-N 1 2 220.194 1.071 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000093401880 345669956 /nfs/dbraw/zinc/66/99/56/345669956.db2.gz PESKCKGWJCOWEF-CABZTGNLSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1[nH]ncc1C[N@H+](CCCCO)C1CC1 ZINC000093383362 345670017 /nfs/dbraw/zinc/67/00/17/345670017.db2.gz UROVRGSHPIQNAF-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](CCCCO)C1CC1 ZINC000093383362 345670019 /nfs/dbraw/zinc/67/00/19/345670019.db2.gz UROVRGSHPIQNAF-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(F)F ZINC000641729985 362645586 /nfs/dbraw/zinc/64/55/86/362645586.db2.gz QDNLZJBZCRAAAU-ZCFIWIBFSA-N 1 2 213.231 1.841 20 0 BDADLO C[C@H]1C[C@@H]1Cn1cc[nH+]c1CN1CCOCC1 ZINC000641728415 362649325 /nfs/dbraw/zinc/64/93/25/362649325.db2.gz SGPXNELVABNQPS-NWDGAFQWSA-N 1 2 235.331 1.371 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000189656495 259385197 /nfs/dbraw/zinc/38/51/97/259385197.db2.gz XZFYZYXNBLDMEW-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000189656495 259385200 /nfs/dbraw/zinc/38/52/00/259385200.db2.gz XZFYZYXNBLDMEW-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO C[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000142402746 345705356 /nfs/dbraw/zinc/70/53/56/345705356.db2.gz VAXDMEYQAUULIT-NSHDSACASA-N 1 2 207.273 1.299 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)C)CC2 ZINC000200172449 345728105 /nfs/dbraw/zinc/72/81/05/345728105.db2.gz SNIRKSLDVAZUOP-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)CCCn1cc[nH+]c1 ZINC000684333528 488293870 /nfs/dbraw/zinc/29/38/70/488293870.db2.gz BYPXXPUOQNNRKJ-QWRGUYRKSA-N 1 2 221.304 1.673 20 0 BDADLO CCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000141984329 345854330 /nfs/dbraw/zinc/85/43/30/345854330.db2.gz SJAOOKQKNXWZGW-AATRIKPKSA-N 1 2 207.277 1.729 20 0 BDADLO CC[C@H](C)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000140816068 345858321 /nfs/dbraw/zinc/85/83/21/345858321.db2.gz JJVZKDIBUQMRJZ-QMMMGPOBSA-N 1 2 236.319 1.420 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CCSC2)[nH+]1 ZINC000635619097 345896201 /nfs/dbraw/zinc/89/62/01/345896201.db2.gz XGAJNVLIWJKZCD-VIFPVBQESA-N 1 2 239.344 1.136 20 0 BDADLO CC[C@@H](COC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635591685 345884773 /nfs/dbraw/zinc/88/47/73/345884773.db2.gz VOBVAGVZVDELIQ-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO CC[C@@H](COC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635591685 345884776 /nfs/dbraw/zinc/88/47/76/345884776.db2.gz VOBVAGVZVDELIQ-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC(F)(F)F)[nH+]1 ZINC000635625530 345899172 /nfs/dbraw/zinc/89/91/72/345899172.db2.gz HHXHJVXBKBGXSI-UHFFFAOYSA-N 1 2 249.236 1.583 20 0 BDADLO Cc1cc(N[C@@H](C)C(=O)NC(C)(C)C)nc[nH+]1 ZINC000134646249 187360643 /nfs/dbraw/zinc/36/06/43/187360643.db2.gz UERQBZSUFINEFG-VIFPVBQESA-N 1 2 236.319 1.500 20 0 BDADLO CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000087805988 345940877 /nfs/dbraw/zinc/94/08/77/345940877.db2.gz MJYFEARRGRRZRG-VIFPVBQESA-N 1 2 206.293 1.755 20 0 BDADLO CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000087805988 345940881 /nfs/dbraw/zinc/94/08/81/345940881.db2.gz MJYFEARRGRRZRG-VIFPVBQESA-N 1 2 206.293 1.755 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H]1C ZINC000623081790 345944385 /nfs/dbraw/zinc/94/43/85/345944385.db2.gz FOXKLOYYUOAUCN-SFYZADRCSA-N 1 2 206.245 1.685 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(C3CC3)o2)[nH]n1 ZINC000628218759 345947813 /nfs/dbraw/zinc/94/78/13/345947813.db2.gz PUBVCDKIFQPJTC-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO COc1ccc(CNc2cc(C)[nH+]cn2)cn1 ZINC000062055107 187361445 /nfs/dbraw/zinc/36/14/45/187361445.db2.gz AUKJKPIPGHYKQB-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H](CC)C2)[nH+]1 ZINC000635671596 345970722 /nfs/dbraw/zinc/97/07/22/345970722.db2.gz QOXXWWJFBOCZTN-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO Cc1c(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cnn1C ZINC000635677316 345973895 /nfs/dbraw/zinc/97/38/95/345973895.db2.gz QTSZRISZNWDUFH-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO Cc1c(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cnn1C ZINC000635677316 345973898 /nfs/dbraw/zinc/97/38/98/345973898.db2.gz QTSZRISZNWDUFH-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO COC(=O)C(C)(C)CSCc1c[nH+]cn1C ZINC000601089058 346018180 /nfs/dbraw/zinc/01/81/80/346018180.db2.gz AGSADVFOMLNSEX-UHFFFAOYSA-N 1 2 242.344 1.853 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1CCC=CCC1 ZINC000635744706 346055227 /nfs/dbraw/zinc/05/52/27/346055227.db2.gz UHXXZRSGTIHMBN-UHFFFAOYSA-N 1 2 232.283 1.894 20 0 BDADLO Cc1cn2ccc(C(=O)N(C)[C@H](C)CO)cc2[nH+]1 ZINC000635730387 346042499 /nfs/dbraw/zinc/04/24/99/346042499.db2.gz JPCKQTLPHYDZLD-SNVBAGLBSA-N 1 2 247.298 1.096 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC=C(C)C)[nH+]1 ZINC000635844679 346088408 /nfs/dbraw/zinc/08/84/08/346088408.db2.gz ACYGOKDSEHRFLI-UHFFFAOYSA-N 1 2 221.304 1.597 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635866465 346097969 /nfs/dbraw/zinc/09/79/69/346097969.db2.gz GHJNGXFHHBAMEO-VEOFNUSFSA-N 1 2 231.299 1.428 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635866465 346097970 /nfs/dbraw/zinc/09/79/70/346097970.db2.gz GHJNGXFHHBAMEO-VEOFNUSFSA-N 1 2 231.299 1.428 20 0 BDADLO Cc1cn2ccc(C(=O)NCCF)cc2[nH+]1 ZINC000635890672 346101641 /nfs/dbraw/zinc/10/16/41/346101641.db2.gz YBDUYHDVDMWCRG-UHFFFAOYSA-N 1 2 221.235 1.342 20 0 BDADLO CC(C)=C(C)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000635920958 346114955 /nfs/dbraw/zinc/11/49/55/346114955.db2.gz GEFMSWXBBISFJH-UHFFFAOYSA-N 1 2 248.330 1.560 20 0 BDADLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)OC ZINC000635946547 346119387 /nfs/dbraw/zinc/11/93/87/346119387.db2.gz TVUZPPLSXQWJMC-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)OC ZINC000635946547 346119388 /nfs/dbraw/zinc/11/93/88/346119388.db2.gz TVUZPPLSXQWJMC-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)OC ZINC000635946548 346119394 /nfs/dbraw/zinc/11/93/94/346119394.db2.gz TVUZPPLSXQWJMC-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)OC ZINC000635946548 346119395 /nfs/dbraw/zinc/11/93/95/346119395.db2.gz TVUZPPLSXQWJMC-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)cn1 ZINC000193800847 187315588 /nfs/dbraw/zinc/31/55/88/187315588.db2.gz HDXRSNAXSFOKSU-AAEUAGOBSA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@H](C)O[C@@H](CC)C2)cn1 ZINC000193800847 187315589 /nfs/dbraw/zinc/31/55/89/187315589.db2.gz HDXRSNAXSFOKSU-AAEUAGOBSA-N 1 2 235.331 1.983 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](CC)C(F)F)[nH+]1 ZINC000635973668 346129394 /nfs/dbraw/zinc/12/93/94/346129394.db2.gz PFSIGLNIVQKWQC-QMMMGPOBSA-N 1 2 245.273 1.675 20 0 BDADLO C=Cn1cc(C[N@H+](CCCC)CC(N)=O)cn1 ZINC000193754113 187315814 /nfs/dbraw/zinc/31/58/14/187315814.db2.gz LHXMMRHEVOMNNH-UHFFFAOYSA-N 1 2 236.319 1.071 20 0 BDADLO C=Cn1cc(C[N@@H+](CCCC)CC(N)=O)cn1 ZINC000193754113 187315815 /nfs/dbraw/zinc/31/58/15/187315815.db2.gz LHXMMRHEVOMNNH-UHFFFAOYSA-N 1 2 236.319 1.071 20 0 BDADLO C/C=C\C[C@@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000336772228 187316089 /nfs/dbraw/zinc/31/60/89/187316089.db2.gz XXOJQZNXJVSLAB-BYCRGOAPSA-N 1 2 209.293 1.135 20 0 BDADLO CCc1cc(N(C)CCc2noc(C)n2)nc[nH+]1 ZINC000603388943 349942804 /nfs/dbraw/zinc/94/28/04/349942804.db2.gz CJFKKHOJIHZBSN-UHFFFAOYSA-N 1 2 247.302 1.409 20 0 BDADLO CCC(CC)CNC(=O)CCn1cc[nH+]c1 ZINC000264134068 346212989 /nfs/dbraw/zinc/21/29/89/346212989.db2.gz FJRFSDGGHLRDEY-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cnc(C)o2)[nH]1 ZINC000628231174 346182610 /nfs/dbraw/zinc/18/26/10/346182610.db2.gz HLGWAEFVHRKGFE-SSDOTTSWSA-N 1 2 235.291 1.514 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccnc(N(C)C)n2)o1 ZINC000628231963 346184764 /nfs/dbraw/zinc/18/47/64/346184764.db2.gz HSKZOXORTACZDI-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO CCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000684372212 488302324 /nfs/dbraw/zinc/30/23/24/488302324.db2.gz JOPHTDOBGUQQCP-JTQLQIEISA-N 1 2 223.320 1.658 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCCCN(C)C2=O)cc[nH+]1 ZINC000631478280 346231692 /nfs/dbraw/zinc/23/16/92/346231692.db2.gz FUOZVDYVKGOFMO-LLVKDONJSA-N 1 2 248.330 1.232 20 0 BDADLO CCCCc1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000631327467 346234370 /nfs/dbraw/zinc/23/43/70/346234370.db2.gz ZZINVADSRJORMV-JGZJWPJOSA-N 1 2 248.330 1.495 20 0 BDADLO Cc1[nH]c(CN2CCn3cnnc3[C@H]2C)[nH+]c1C ZINC000628251488 346222179 /nfs/dbraw/zinc/22/21/79/346222179.db2.gz IRLOBRPRWNFIJW-SNVBAGLBSA-N 1 2 246.318 1.195 20 0 BDADLO Cc1ncc(C[N@H+]2CC(C)(C)OC[C@@H]2C)o1 ZINC000628252231 346223966 /nfs/dbraw/zinc/22/39/66/346223966.db2.gz MNOWOYVUBQYXJV-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)o1 ZINC000628252231 346223968 /nfs/dbraw/zinc/22/39/68/346223968.db2.gz MNOWOYVUBQYXJV-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)O[C@H](C3CC3)C2)[nH+]1 ZINC000628255530 346249585 /nfs/dbraw/zinc/24/95/85/346249585.db2.gz PYFAKWITRYJXGZ-PWSUYJOCSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cccc(C)c1C[NH2+]Cc1nnn(C)n1 ZINC000362958094 179037061 /nfs/dbraw/zinc/03/70/61/179037061.db2.gz NIHUUXNAYVTGAH-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccncc1N)C(F)F ZINC000641758516 362688373 /nfs/dbraw/zinc/68/83/73/362688373.db2.gz OBOWWDLTMHLFIV-SECBINFHSA-N 1 2 215.247 1.797 20 0 BDADLO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000355045805 179049811 /nfs/dbraw/zinc/04/98/11/179049811.db2.gz YRIBUTDANKDAFE-SNVBAGLBSA-N 1 2 246.314 1.978 20 0 BDADLO Cc1nc2ccc(NCc3[nH+]ccn3C)cn2n1 ZINC000641766828 362699122 /nfs/dbraw/zinc/69/91/22/362699122.db2.gz UWEFUWPEURQXEK-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2nccc(N)n2)c1 ZINC000258595518 179068365 /nfs/dbraw/zinc/06/83/65/179068365.db2.gz ANYKMCLTELJCAB-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2nccc(N)n2)c1 ZINC000258595518 179068368 /nfs/dbraw/zinc/06/83/68/179068368.db2.gz ANYKMCLTELJCAB-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)C(F)F ZINC000641790602 362724942 /nfs/dbraw/zinc/72/49/42/362724942.db2.gz MJGQYOGAOLVCFY-DTWKUNHWSA-N 1 2 236.306 1.877 20 0 BDADLO CO[C@H]1CN(c2nc(C)[nH+]cc2C)CC[C@H]1C ZINC000574927824 346416373 /nfs/dbraw/zinc/41/63/73/346416373.db2.gz YFIGYGBBMVLYFF-SKDRFNHKSA-N 1 2 235.331 1.955 20 0 BDADLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000072097760 179079469 /nfs/dbraw/zinc/07/94/69/179079469.db2.gz ZCOIBNVKMUXMBA-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Cc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000072097760 179079472 /nfs/dbraw/zinc/07/94/72/179079472.db2.gz ZCOIBNVKMUXMBA-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn2c1CCC2)C(F)F ZINC000641793000 362728890 /nfs/dbraw/zinc/72/88/90/362728890.db2.gz AINWDTTXXZGDMG-SSDOTTSWSA-N 1 2 215.247 1.573 20 0 BDADLO Cc1ccc2[nH+]c(NCc3cn(C)nn3)[nH]c2c1 ZINC000641794029 362732872 /nfs/dbraw/zinc/73/28/72/362732872.db2.gz JOMFWCPNXYPQRY-UHFFFAOYSA-N 1 2 242.286 1.034 20 0 BDADLO COc1cccc(C[NH2+]Cc2cc(C)on2)n1 ZINC000070093498 349965840 /nfs/dbraw/zinc/96/58/40/349965840.db2.gz WGWRCSKBLPVCGG-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191715778 259389858 /nfs/dbraw/zinc/38/98/58/259389858.db2.gz KEWQGDOKGHEPGK-QJPTWQEYSA-N 1 2 245.363 1.977 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186358692 346503553 /nfs/dbraw/zinc/50/35/53/346503553.db2.gz IQNRXCRVZHUGSX-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000580325746 347098664 /nfs/dbraw/zinc/09/86/64/347098664.db2.gz XMBKVFFSKYLIDW-PHDIDXHHSA-N 1 2 247.245 1.256 20 0 BDADLO CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000201173848 346497040 /nfs/dbraw/zinc/49/70/40/346497040.db2.gz ZTKKUKFVDCJQKR-LBPRGKRZSA-N 1 2 238.718 1.833 20 0 BDADLO COC(=O)CCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000577121825 365823467 /nfs/dbraw/zinc/82/34/67/365823467.db2.gz JNLHTZAUXQBCKQ-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO COC(=O)CCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000577121825 365823473 /nfs/dbraw/zinc/82/34/73/365823473.db2.gz JNLHTZAUXQBCKQ-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@@H]1F ZINC000679227180 488322455 /nfs/dbraw/zinc/32/24/55/488322455.db2.gz XDRHHXMCDIMACA-PWSUYJOCSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@@H]1F ZINC000679227180 488322456 /nfs/dbraw/zinc/32/24/56/488322456.db2.gz XDRHHXMCDIMACA-PWSUYJOCSA-N 1 2 242.338 1.583 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1cccc(F)c1 ZINC000186852436 346540816 /nfs/dbraw/zinc/54/08/16/346540816.db2.gz MOGBQRQZRBRRBG-UHFFFAOYSA-N 1 2 233.246 1.740 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCc2ccccc21 ZINC000186853343 346540852 /nfs/dbraw/zinc/54/08/52/346540852.db2.gz VJGOSWMVWGOFEM-UHFFFAOYSA-N 1 2 241.294 1.552 20 0 BDADLO CCCC[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000300964086 346549762 /nfs/dbraw/zinc/54/97/62/346549762.db2.gz QXXJSAUBRXEEPR-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CCCC[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000300964086 346549764 /nfs/dbraw/zinc/54/97/64/346549764.db2.gz QXXJSAUBRXEEPR-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CC1(C)CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000187015329 346552413 /nfs/dbraw/zinc/55/24/13/346552413.db2.gz LZFVXGXGGGWKFS-JTQLQIEISA-N 1 2 231.361 1.008 20 0 BDADLO Cc1cccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000181842026 179134488 /nfs/dbraw/zinc/13/44/88/179134488.db2.gz VOQKNJVLVBLNPC-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO COC(=O)c1ccc(CNc2c[nH]c[nH+]2)o1 ZINC000381703528 346716984 /nfs/dbraw/zinc/71/69/84/346716984.db2.gz ISSWAGOIKMMDJF-UHFFFAOYSA-N 1 2 221.216 1.401 20 0 BDADLO Cc1cccc(NCC[N@H+]2CCOC[C@H]2C)[nH+]1 ZINC000354884372 179144764 /nfs/dbraw/zinc/14/47/64/179144764.db2.gz SDKAPLRJWXKISZ-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCOC[C@H]2C)[nH+]1 ZINC000354884372 179144767 /nfs/dbraw/zinc/14/47/67/179144767.db2.gz SDKAPLRJWXKISZ-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000354884372 179144772 /nfs/dbraw/zinc/14/47/72/179144772.db2.gz SDKAPLRJWXKISZ-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO CCCCOCC[N@H+](C)Cc1ccon1 ZINC000352758752 187370785 /nfs/dbraw/zinc/37/07/85/187370785.db2.gz JVGZIJFAZAEVJE-UHFFFAOYSA-N 1 2 212.293 1.923 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1ccon1 ZINC000352758752 187370786 /nfs/dbraw/zinc/37/07/86/187370786.db2.gz JVGZIJFAZAEVJE-UHFFFAOYSA-N 1 2 212.293 1.923 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987928 346761058 /nfs/dbraw/zinc/76/10/58/346761058.db2.gz LYTOARPLICAOER-JOYOIKCWSA-N 1 2 232.283 1.327 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc(C)[nH+]cn2)C1 ZINC000571072487 323134785 /nfs/dbraw/zinc/13/47/85/323134785.db2.gz RQOVITYJMODWLS-AOOOYVTPSA-N 1 2 207.277 1.399 20 0 BDADLO COC[C@H](C)CNc1ccc(N(C)C)c[nH+]1 ZINC000188135860 346790685 /nfs/dbraw/zinc/79/06/85/346790685.db2.gz AQGXCYMHKYANJR-SNVBAGLBSA-N 1 2 223.320 1.842 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1nccn1C ZINC000188209208 346795129 /nfs/dbraw/zinc/79/51/29/346795129.db2.gz DUXTYMZMDQOWDT-SNVBAGLBSA-N 1 2 241.360 1.233 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1nccn1C ZINC000188209208 346795131 /nfs/dbraw/zinc/79/51/31/346795131.db2.gz DUXTYMZMDQOWDT-SNVBAGLBSA-N 1 2 241.360 1.233 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1nccn1C ZINC000188209237 346795659 /nfs/dbraw/zinc/79/56/59/346795659.db2.gz DUXTYMZMDQOWDT-JTQLQIEISA-N 1 2 241.360 1.233 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1nccn1C ZINC000188209237 346795663 /nfs/dbraw/zinc/79/56/63/346795663.db2.gz DUXTYMZMDQOWDT-JTQLQIEISA-N 1 2 241.360 1.233 20 0 BDADLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1COC1 ZINC000577181136 365863763 /nfs/dbraw/zinc/86/37/63/365863763.db2.gz NCOKLKUJXQMKAZ-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO CCOC(=O)C1(C)CC([NH2+]CC(C)(F)F)C1 ZINC000601278910 347141142 /nfs/dbraw/zinc/14/11/42/347141142.db2.gz KWFPMULWQUELAK-UHFFFAOYSA-N 1 2 235.274 1.963 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000388080589 347183715 /nfs/dbraw/zinc/18/37/15/347183715.db2.gz RWAADTKVXZTQJC-VIFPVBQESA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000388080589 347183717 /nfs/dbraw/zinc/18/37/17/347183717.db2.gz RWAADTKVXZTQJC-VIFPVBQESA-N 1 2 239.319 1.396 20 0 BDADLO CO[C@H]([C@@H](C)Nc1cc[nH+]c(C)n1)C1CC1 ZINC000388301320 347301326 /nfs/dbraw/zinc/30/13/26/347301326.db2.gz NQSUPVDEYRCLMI-PRHODGIISA-N 1 2 221.304 1.432 20 0 BDADLO CCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000082274894 347323922 /nfs/dbraw/zinc/32/39/22/347323922.db2.gz KUBCETIKXJXUME-SNVBAGLBSA-N 1 2 207.277 1.397 20 0 BDADLO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ncn(C)n1 ZINC000336225380 179216303 /nfs/dbraw/zinc/21/63/03/179216303.db2.gz ZTDQDRHIEWIDAZ-CYBMUJFWSA-N 1 2 242.326 1.901 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@@H]2CCCCS2)CC1 ZINC000082304294 347346147 /nfs/dbraw/zinc/34/61/47/347346147.db2.gz WPLCOJXIMQKWHA-NSHDSACASA-N 1 2 242.388 1.436 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@@H](O)C1CC1 ZINC000624024926 347349915 /nfs/dbraw/zinc/34/99/15/347349915.db2.gz DDCIMSADGXRESB-SNVBAGLBSA-N 1 2 222.288 1.297 20 0 BDADLO CC(C)(F)CCNC(=O)CCCn1cc[nH+]c1 ZINC000618408432 347407559 /nfs/dbraw/zinc/40/75/59/347407559.db2.gz PFHXFJMHXFNKKS-UHFFFAOYSA-N 1 2 241.310 1.918 20 0 BDADLO CC(C)c1noc(N2CCc3c([nH+]cn3C)C2)n1 ZINC000605694004 347417156 /nfs/dbraw/zinc/41/71/56/347417156.db2.gz CEXFOEQDAWWXTM-UHFFFAOYSA-N 1 2 247.302 1.489 20 0 BDADLO CO[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000616921910 347452665 /nfs/dbraw/zinc/45/26/65/347452665.db2.gz IMRNMLBMBZIFQJ-NSHDSACASA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000616921910 347452666 /nfs/dbraw/zinc/45/26/66/347452666.db2.gz IMRNMLBMBZIFQJ-NSHDSACASA-N 1 2 237.303 1.183 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1C=CCC1 ZINC000616922950 347453384 /nfs/dbraw/zinc/45/33/84/347453384.db2.gz OSXFHYVKDISOPN-JTQLQIEISA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1C=CCC1 ZINC000616922950 347453386 /nfs/dbraw/zinc/45/33/86/347453386.db2.gz OSXFHYVKDISOPN-JTQLQIEISA-N 1 2 219.288 1.724 20 0 BDADLO Cc1ccccc1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922659 347453887 /nfs/dbraw/zinc/45/38/87/347453887.db2.gz DUKJGCUTSHMGTB-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO Cc1ccccc1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922659 347453888 /nfs/dbraw/zinc/45/38/88/347453888.db2.gz DUKJGCUTSHMGTB-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C(F)(F)F)CC1 ZINC000616924648 347456196 /nfs/dbraw/zinc/45/61/96/347456196.db2.gz QVGWUNCKPBVEOQ-UHFFFAOYSA-N 1 2 247.220 1.711 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C(F)(F)F)CC1 ZINC000616924648 347456199 /nfs/dbraw/zinc/45/61/99/347456199.db2.gz QVGWUNCKPBVEOQ-UHFFFAOYSA-N 1 2 247.220 1.711 20 0 BDADLO COCCC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927680 347456223 /nfs/dbraw/zinc/45/62/23/347456223.db2.gz OASZTBMAGARLSC-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO COCCC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927680 347456226 /nfs/dbraw/zinc/45/62/26/347456226.db2.gz OASZTBMAGARLSC-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616925492 347457447 /nfs/dbraw/zinc/45/74/47/347457447.db2.gz JFOMREKEESMNNT-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616925492 347457451 /nfs/dbraw/zinc/45/74/51/347457451.db2.gz JFOMREKEESMNNT-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO CCC[C@@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928560 347494563 /nfs/dbraw/zinc/49/45/63/347494563.db2.gz FBZQOBCXVSSTHY-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO CCC[C@@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928560 347494564 /nfs/dbraw/zinc/49/45/64/347494564.db2.gz FBZQOBCXVSSTHY-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616926480 347458633 /nfs/dbraw/zinc/45/86/33/347458633.db2.gz DVNDOQDFACQYKE-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616926480 347458636 /nfs/dbraw/zinc/45/86/36/347458636.db2.gz DVNDOQDFACQYKE-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC[C@H]1CCOC1 ZINC000616926737 347458660 /nfs/dbraw/zinc/45/86/60/347458660.db2.gz NYRNYRHXGYZHAZ-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC[C@H]1CCOC1 ZINC000616926737 347458663 /nfs/dbraw/zinc/45/86/63/347458663.db2.gz NYRNYRHXGYZHAZ-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)c1cncnc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000590567758 347469414 /nfs/dbraw/zinc/46/94/14/347469414.db2.gz GIRCNERYPMMYHJ-SSDOTTSWSA-N 1 2 247.258 1.159 20 0 BDADLO CC(C)(C)OC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590603001 347476618 /nfs/dbraw/zinc/47/66/18/347476618.db2.gz ZNPKOBUGFDJDKC-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CCOCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590733540 347504123 /nfs/dbraw/zinc/50/41/23/347504123.db2.gz QCQISNVRQHPPKT-LLVKDONJSA-N 1 2 237.303 1.083 20 0 BDADLO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)OC(C)(C)C ZINC000577223359 365889117 /nfs/dbraw/zinc/88/91/17/365889117.db2.gz ANYXLEBVHCFCDD-QWRGUYRKSA-N 1 2 245.363 1.715 20 0 BDADLO Nc1nc(N[C@@H]2CC[C@@H](F)C2)[nH+]c2ccccc12 ZINC000577242328 365896708 /nfs/dbraw/zinc/89/67/08/365896708.db2.gz BHERHIKEEDXTBT-RKDXNWHRSA-N 1 2 246.289 1.767 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000591363804 347654249 /nfs/dbraw/zinc/65/42/49/347654249.db2.gz SBNFJQKSQWPLMU-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1nccc(N)n1 ZINC000121805444 179269339 /nfs/dbraw/zinc/26/93/39/179269339.db2.gz DOZOTSUWOKMBBG-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1nccc(N)n1 ZINC000121805444 179269341 /nfs/dbraw/zinc/26/93/41/179269341.db2.gz DOZOTSUWOKMBBG-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000592376716 347771622 /nfs/dbraw/zinc/77/16/22/347771622.db2.gz FQRAXQSTPZAIAP-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000592398934 347777418 /nfs/dbraw/zinc/77/74/18/347777418.db2.gz DBOUMBSAHXSKFS-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000592515070 347793325 /nfs/dbraw/zinc/79/33/25/347793325.db2.gz NDDLPYBGUGHYPL-LPEHRKFASA-N 1 2 215.293 1.094 20 0 BDADLO CSCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000592996498 347838969 /nfs/dbraw/zinc/83/89/69/347838969.db2.gz QNYCVUBWGUYAGE-UHFFFAOYSA-N 1 2 249.339 1.356 20 0 BDADLO CCc1ncncc1C(=O)NCc1[nH]c[nH+]c1C ZINC000531251572 347875956 /nfs/dbraw/zinc/87/59/56/347875956.db2.gz DGBGJSDDYFPDDA-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC=C(C)CC1 ZINC000535217024 323168201 /nfs/dbraw/zinc/16/82/01/323168201.db2.gz RHEKASCJIHNCJP-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC=C(C)CC1 ZINC000535217024 323168202 /nfs/dbraw/zinc/16/82/02/323168202.db2.gz RHEKASCJIHNCJP-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO Cn1cc(CSCc2c[nH+]cn2C)cn1 ZINC000593438267 347890826 /nfs/dbraw/zinc/89/08/26/347890826.db2.gz YRCQGUHGXIMYLB-UHFFFAOYSA-N 1 2 222.317 1.587 20 0 BDADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)o1 ZINC000593685884 347927141 /nfs/dbraw/zinc/92/71/41/347927141.db2.gz BOVULGJEKCFKOS-UHCFIKNESA-N 1 2 245.731 1.638 20 0 BDADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)o1 ZINC000593685884 347927144 /nfs/dbraw/zinc/92/71/44/347927144.db2.gz BOVULGJEKCFKOS-UHCFIKNESA-N 1 2 245.731 1.638 20 0 BDADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1nnnn1C ZINC000356028300 179317454 /nfs/dbraw/zinc/31/74/54/179317454.db2.gz HVUCAOOEKOLCSG-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1nnnn1C ZINC000356028300 179317456 /nfs/dbraw/zinc/31/74/56/179317456.db2.gz HVUCAOOEKOLCSG-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO CS(=O)(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000201965780 347951758 /nfs/dbraw/zinc/95/17/58/347951758.db2.gz KEHILRPMSYQVIP-UHFFFAOYSA-N 1 2 239.340 1.686 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[S@](=O)[C@@H](C)C1 ZINC000577412439 365950574 /nfs/dbraw/zinc/95/05/74/365950574.db2.gz QOHPIZVXZDGWCF-FVMDXXJSSA-N 1 2 239.344 1.051 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493672515 347992174 /nfs/dbraw/zinc/99/21/74/347992174.db2.gz HKYPIKHYYKDSCE-OKWQPMOJSA-N 1 2 235.287 1.107 20 0 BDADLO Cc1noc(C[N@@H+](C)CCSC(C)C)n1 ZINC000594055453 348010028 /nfs/dbraw/zinc/01/00/28/348010028.db2.gz LHCSHWBTCALMPX-UHFFFAOYSA-N 1 2 229.349 1.951 20 0 BDADLO Cc1noc(C[N@H+](C)CCSC(C)C)n1 ZINC000594055453 348010029 /nfs/dbraw/zinc/01/00/29/348010029.db2.gz LHCSHWBTCALMPX-UHFFFAOYSA-N 1 2 229.349 1.951 20 0 BDADLO O=C(CC1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594176087 348021028 /nfs/dbraw/zinc/02/10/28/348021028.db2.gz AMALHRCSFWHKND-UHFFFAOYSA-N 1 2 232.283 1.471 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nc(C)no1 ZINC000532086614 323172575 /nfs/dbraw/zinc/17/25/75/323172575.db2.gz SUUBUMDZMRZSIZ-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nc(C)no1 ZINC000532086614 323172576 /nfs/dbraw/zinc/17/25/76/323172576.db2.gz SUUBUMDZMRZSIZ-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO CC[C@H]([NH2+]CCCOC(C)(C)C)C(=O)OC ZINC000594724082 348108600 /nfs/dbraw/zinc/10/86/00/348108600.db2.gz CKAAUYFUUFSOPT-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)C1CC1 ZINC000594732721 348109033 /nfs/dbraw/zinc/10/90/33/348109033.db2.gz XFQCHYKXQADFQX-ZMLRMANQSA-N 1 2 241.331 1.485 20 0 BDADLO CC[C@H]([NH2+]CCC(C)(C)F)C(=O)OC ZINC000594729924 348112759 /nfs/dbraw/zinc/11/27/59/348112759.db2.gz PTCIZOTXVOGBKI-QMMMGPOBSA-N 1 2 205.273 1.666 20 0 BDADLO CCSCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594614651 348083048 /nfs/dbraw/zinc/08/30/48/348083048.db2.gz YTDJFURGWGCCBJ-UHFFFAOYSA-N 1 2 243.380 1.271 20 0 BDADLO Cc1cccn2c(CN3CCO[C@@H]4C[C@@H]43)c[nH+]c12 ZINC000366558474 179354340 /nfs/dbraw/zinc/35/43/40/179354340.db2.gz LLNRIRILDOLNRV-QWHCGFSZSA-N 1 2 243.310 1.616 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594930249 348139634 /nfs/dbraw/zinc/13/96/34/348139634.db2.gz DENGHZZYWJWKKL-MXWKQRLJSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000594931259 348140313 /nfs/dbraw/zinc/14/03/13/348140313.db2.gz MLEOPNLBLJEOSJ-YUSALJHKSA-N 1 2 234.299 2.000 20 0 BDADLO Cc1cccnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000267336083 179361028 /nfs/dbraw/zinc/36/10/28/179361028.db2.gz IQCBNFSDNPJBSG-UHFFFAOYSA-N 1 2 245.326 1.310 20 0 BDADLO Cc1cccnc1C(=O)Nc1cc[nH+]cc1O ZINC000358340253 179362785 /nfs/dbraw/zinc/36/27/85/179362785.db2.gz PSJNRQMECDLHBW-UHFFFAOYSA-N 1 2 229.239 1.165 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](OC)C1CCC1 ZINC000595299192 348217689 /nfs/dbraw/zinc/21/76/89/348217689.db2.gz WRVUQNMAKVVCOR-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](OC)C1CCC1 ZINC000595299192 348217691 /nfs/dbraw/zinc/21/76/91/348217691.db2.gz WRVUQNMAKVVCOR-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H](OC)C1CCC1 ZINC000595303680 348221622 /nfs/dbraw/zinc/22/16/22/348221622.db2.gz ANCHZWUPTUUCKO-SNVBAGLBSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000595311746 348223740 /nfs/dbraw/zinc/22/37/40/348223740.db2.gz WYQPFBJRTQMNPD-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](C[NH2+]C1(C(=O)OC)CCCC1)OC ZINC000419232415 192112932 /nfs/dbraw/zinc/11/29/32/192112932.db2.gz FHYMHEZXECUUFT-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1cccnc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000093158538 179370729 /nfs/dbraw/zinc/37/07/29/179370729.db2.gz YKHQHCOVSHWSPJ-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cccnc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000093158538 179370733 /nfs/dbraw/zinc/37/07/33/179370733.db2.gz YKHQHCOVSHWSPJ-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO CCCC[C@H](C(=O)OC)N(C)Cc1[nH]cc[nH+]1 ZINC000595400503 348238385 /nfs/dbraw/zinc/23/83/85/348238385.db2.gz HDEKMKWAZUWDQJ-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO Cc1nc(N[C@@H]2C[C@]2(C)C(C)C)nc(N)[nH+]1 ZINC000397165491 362861876 /nfs/dbraw/zinc/86/18/76/362861876.db2.gz ZWXKJJBHUSBVBZ-LDYMZIIASA-N 1 2 221.308 1.439 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@]2(C)C(C)C)[nH+]1 ZINC000397165491 362861878 /nfs/dbraw/zinc/86/18/78/362861878.db2.gz ZWXKJJBHUSBVBZ-LDYMZIIASA-N 1 2 221.308 1.439 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCC2CCC2)CCOC1 ZINC000595408132 348240831 /nfs/dbraw/zinc/24/08/31/348240831.db2.gz NEZTXEUCUZDHOV-GFCCVEGCSA-N 1 2 227.304 1.098 20 0 BDADLO COC(=O)[C@@H](NCc1cn(C)c[nH+]1)C(C)(C)C ZINC000595383319 348242257 /nfs/dbraw/zinc/24/22/57/348242257.db2.gz GMEKUPOHXDTQRK-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO Cc1cccnc1C[NH2+]Cc1cc[nH]n1 ZINC000070908213 179381610 /nfs/dbraw/zinc/38/16/10/179381610.db2.gz WLAMPZMRXBBYCA-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000367359545 179375949 /nfs/dbraw/zinc/37/59/49/179375949.db2.gz ZDIGUHKTDOTTOJ-LLVKDONJSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cccnc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000367359545 179375952 /nfs/dbraw/zinc/37/59/52/179375952.db2.gz ZDIGUHKTDOTTOJ-LLVKDONJSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093173054 179376920 /nfs/dbraw/zinc/37/69/20/179376920.db2.gz NPNWLFWWIYLRSD-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cccnc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093173054 179376921 /nfs/dbraw/zinc/37/69/21/179376921.db2.gz NPNWLFWWIYLRSD-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cccnc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279189048 179378093 /nfs/dbraw/zinc/37/80/93/179378093.db2.gz LFEHTAXSFXGLHW-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1nccn1C ZINC000419246754 192114965 /nfs/dbraw/zinc/11/49/65/192114965.db2.gz WIVKQTCNNCPERD-LBPRGKRZSA-N 1 2 239.363 1.913 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1nccn1C ZINC000419246754 192114967 /nfs/dbraw/zinc/11/49/67/192114967.db2.gz WIVKQTCNNCPERD-LBPRGKRZSA-N 1 2 239.363 1.913 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000595531733 348273973 /nfs/dbraw/zinc/27/39/73/348273973.db2.gz KBSQURUWQFQMSW-LOWVWBTDSA-N 1 2 243.347 1.326 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709736 348321246 /nfs/dbraw/zinc/32/12/46/348321246.db2.gz ZDYPZDGAIDRJSF-OPQQBVKSSA-N 1 2 233.311 1.866 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)Cc1c[nH+]cn1C ZINC000563873857 323182071 /nfs/dbraw/zinc/18/20/71/323182071.db2.gz YRDCNRRZQTXICQ-NSHDSACASA-N 1 2 237.347 1.857 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCCO)CC[C@@H](C)CC1 ZINC000595708305 348319956 /nfs/dbraw/zinc/31/99/56/348319956.db2.gz JNZYXSNGDXCJPB-UMSPYCQHSA-N 1 2 229.320 1.080 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595808747 348349568 /nfs/dbraw/zinc/34/95/68/348349568.db2.gz VVBDMWBPIFHGQV-JTQLQIEISA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1CCCO1 ZINC000595777248 348338708 /nfs/dbraw/zinc/33/87/08/348338708.db2.gz ZXZMXIJLETWMLD-KOLCDFICSA-N 1 2 233.283 1.046 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC000595851076 348355743 /nfs/dbraw/zinc/35/57/43/348355743.db2.gz VFVXVUODNVIUIP-DTORHVGOSA-N 1 2 240.328 1.527 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC000595851076 348355745 /nfs/dbraw/zinc/35/57/45/348355745.db2.gz VFVXVUODNVIUIP-DTORHVGOSA-N 1 2 240.328 1.527 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)C1CC1 ZINC000419285951 192123896 /nfs/dbraw/zinc/12/38/96/192123896.db2.gz NUPUSLYWBGYLDA-GRYCIOLGSA-N 1 2 241.331 1.484 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CC1 ZINC000596045985 348428717 /nfs/dbraw/zinc/42/87/17/348428717.db2.gz NCYLDOWHGFCCHQ-IUCAKERBSA-N 1 2 247.285 1.819 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N(C)CC2CC2)c1 ZINC000596087427 348443613 /nfs/dbraw/zinc/44/36/13/348443613.db2.gz BXOLSFUAVUEFDT-UHFFFAOYSA-N 1 2 234.299 1.643 20 0 BDADLO CSCC1(Cc2noc(C[NH+](C)C)n2)CC1 ZINC000596607905 348599491 /nfs/dbraw/zinc/59/94/91/348599491.db2.gz BWDIVRGMIPKFDM-UHFFFAOYSA-N 1 2 241.360 1.817 20 0 BDADLO COC(=O)[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000596552274 348576516 /nfs/dbraw/zinc/57/65/16/348576516.db2.gz ALWFSHXZSDBBHH-KYZUINATSA-N 1 2 221.260 1.149 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)C)CO1 ZINC000597142442 348661780 /nfs/dbraw/zinc/66/17/80/348661780.db2.gz QQDSZUZLADJSFV-GARJFASQSA-N 1 2 229.320 1.484 20 0 BDADLO CCOC1(C)C[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000398853868 323193804 /nfs/dbraw/zinc/19/38/04/323193804.db2.gz SOXURJGMXNGWFL-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO COC[C@H](C)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000597212704 348680990 /nfs/dbraw/zinc/68/09/90/348680990.db2.gz AHCMFZOWYMBVOU-KOLCDFICSA-N 1 2 235.299 1.150 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OCC ZINC000396601723 348772042 /nfs/dbraw/zinc/77/20/42/348772042.db2.gz VGANUDBLQXAFLS-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H]1CCOC1 ZINC000121280803 179707391 /nfs/dbraw/zinc/70/73/91/179707391.db2.gz NGDNJGNREXAGDF-JTQLQIEISA-N 1 2 235.287 1.643 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459180 348976583 /nfs/dbraw/zinc/97/65/83/348976583.db2.gz DSCRURAQOLFEHJ-JGVFFNPUSA-N 1 2 227.333 1.349 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1cn[nH]c1C ZINC000628301058 349001856 /nfs/dbraw/zinc/00/18/56/349001856.db2.gz GVEVRESZSARNTL-VIFPVBQESA-N 1 2 211.309 1.311 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1cn[nH]c1C ZINC000628301058 349001858 /nfs/dbraw/zinc/00/18/58/349001858.db2.gz GVEVRESZSARNTL-VIFPVBQESA-N 1 2 211.309 1.311 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)C1CC1)CC2 ZINC000623511045 362936903 /nfs/dbraw/zinc/93/69/03/362936903.db2.gz WRQKWGAVIQOOQK-ZYHUDNBSSA-N 1 2 247.342 1.669 20 0 BDADLO CCN(C(C)=O)c1nc(C[NH2+]CCF)cs1 ZINC000304126585 490221411 /nfs/dbraw/zinc/22/14/11/490221411.db2.gz MNNXCKNPKKGOFV-UHFFFAOYSA-N 1 2 245.323 1.575 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421758828 192380344 /nfs/dbraw/zinc/38/03/44/192380344.db2.gz BFLBMPNZUQCMSL-GMTAPVOTSA-N 1 2 233.315 1.473 20 0 BDADLO COC(=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599538690 349221235 /nfs/dbraw/zinc/22/12/35/349221235.db2.gz PZZLWCBRBNSJHV-UHFFFAOYSA-N 1 2 221.256 1.271 20 0 BDADLO COC(=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599538690 349221238 /nfs/dbraw/zinc/22/12/38/349221238.db2.gz PZZLWCBRBNSJHV-UHFFFAOYSA-N 1 2 221.256 1.271 20 0 BDADLO COC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000599598031 349223276 /nfs/dbraw/zinc/22/32/76/349223276.db2.gz VWMJCVWPWOJSKU-LBPRGKRZSA-N 1 2 229.320 1.080 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626612 349231101 /nfs/dbraw/zinc/23/11/01/349231101.db2.gz SNPWWPUMVKBESO-GCHJQGSQSA-N 1 2 243.347 1.730 20 0 BDADLO CC(C)[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599649586 349233436 /nfs/dbraw/zinc/23/34/36/349233436.db2.gz BVTIZYOUQCLTFJ-SNVBAGLBSA-N 1 2 245.363 1.713 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCCO ZINC000599660778 349236201 /nfs/dbraw/zinc/23/62/01/349236201.db2.gz RJJKKBFDQPBTAU-UHFFFAOYSA-N 1 2 231.336 1.469 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333873027 538037358 /nfs/dbraw/zinc/03/73/58/538037358.db2.gz UYEUGKZLXHQWQS-DOLQZWNJSA-N 1 2 234.303 1.597 20 0 BDADLO Cc1cc(NCc2ccccc2CO)nc[nH+]1 ZINC000601509355 349294690 /nfs/dbraw/zinc/29/46/90/349294690.db2.gz JGSJCSAOENWXIQ-UHFFFAOYSA-N 1 2 229.283 1.311 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCCOCC2)c[nH+]1 ZINC000272115150 179887520 /nfs/dbraw/zinc/88/75/20/179887520.db2.gz YOZXUDVDSFKAAN-SECBINFHSA-N 1 2 223.276 1.017 20 0 BDADLO COCc1ccc(CNc2c[nH]c[nH+]2)o1 ZINC000309077405 323225985 /nfs/dbraw/zinc/22/59/85/323225985.db2.gz MDJXVPFWFFBKQR-UHFFFAOYSA-N 1 2 207.233 1.761 20 0 BDADLO Cc1nc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)no1 ZINC000374650962 179973282 /nfs/dbraw/zinc/97/32/82/179973282.db2.gz ZCDGOBGELLJGNS-RYUDHWBXSA-N 1 2 237.303 1.425 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1conc1C ZINC000397919591 362948472 /nfs/dbraw/zinc/94/84/72/362948472.db2.gz PBCXOWPNGQYFBS-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnc(COC)[nH]1)C(C)C ZINC000658160197 490305135 /nfs/dbraw/zinc/30/51/35/490305135.db2.gz DFWKQGWOHQMQJU-SECBINFHSA-N 1 2 226.324 1.475 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCS(C)(=O)=O)cs1 ZINC000037740803 180035297 /nfs/dbraw/zinc/03/52/97/180035297.db2.gz HWLJOAPTRFGKPD-SSDOTTSWSA-N 1 2 248.373 1.147 20 0 BDADLO Cc1nnc(CNc2cc(C)[nH+]cn2)o1 ZINC000309170564 350115230 /nfs/dbraw/zinc/11/52/30/350115230.db2.gz LDNNFWZQKZWFBQ-UHFFFAOYSA-N 1 2 205.221 1.089 20 0 BDADLO Cc1nc([C@H](C)N(C)Cc2[nH+]ccn2C)no1 ZINC000289430699 180046560 /nfs/dbraw/zinc/04/65/60/180046560.db2.gz XOXCYBUXUFHTPR-QMMMGPOBSA-N 1 2 235.291 1.305 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000604388924 350119085 /nfs/dbraw/zinc/11/90/85/350119085.db2.gz OBJRFSAGENLRQR-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1cnnc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000604388924 350119087 /nfs/dbraw/zinc/11/90/87/350119087.db2.gz OBJRFSAGENLRQR-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)cs1 ZINC000036915648 180050365 /nfs/dbraw/zinc/05/03/65/180050365.db2.gz UKLHOBRSMSRJLR-JGVFFNPUSA-N 1 2 241.360 1.579 20 0 BDADLO Cc1noc(C[N@@H+]2CC(C)(C)OCC2(C)C)n1 ZINC000604386368 350121710 /nfs/dbraw/zinc/12/17/10/350121710.db2.gz JFDRGRJOMVBADL-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1noc(C[N@H+]2CC(C)(C)OCC2(C)C)n1 ZINC000604386368 350121713 /nfs/dbraw/zinc/12/17/13/350121713.db2.gz JFDRGRJOMVBADL-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cc(Cl)c[nH]1 ZINC000334156280 538057732 /nfs/dbraw/zinc/05/77/32/538057732.db2.gz XWPUIIUVZLIXBP-UHFFFAOYSA-N 1 2 238.678 1.332 20 0 BDADLO CC(C)[C@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000067899811 350158530 /nfs/dbraw/zinc/15/85/30/350158530.db2.gz FVVNEGQNJMSLOH-GFCCVEGCSA-N 1 2 242.363 1.117 20 0 BDADLO Cc1nc(NCC[C@@H](C)[S@](C)=O)cc[nH+]1 ZINC000133126570 191037919 /nfs/dbraw/zinc/03/79/19/191037919.db2.gz RGEREZWMKWIIIT-ANRSDYALSA-N 1 2 227.333 1.354 20 0 BDADLO CCSCC[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304504615 350160994 /nfs/dbraw/zinc/16/09/94/350160994.db2.gz QPPREQXDNORZSA-ZETCQYMHSA-N 1 2 241.364 1.706 20 0 BDADLO CCSCC[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304504615 350160999 /nfs/dbraw/zinc/16/09/99/350160999.db2.gz QPPREQXDNORZSA-ZETCQYMHSA-N 1 2 241.364 1.706 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@H](CO)C2)nc[nH+]1 ZINC000304534577 350162009 /nfs/dbraw/zinc/16/20/09/350162009.db2.gz CGGKLGPRKIAOJL-QWRGUYRKSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1ncc(C(=O)NCc2[nH+]ccn2C)s1 ZINC000264248046 180132950 /nfs/dbraw/zinc/13/29/50/180132950.db2.gz AWHRZPMBZOPCRO-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000352408751 180139587 /nfs/dbraw/zinc/13/95/87/180139587.db2.gz WYDFPMXUIOHSCY-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000352408751 180139590 /nfs/dbraw/zinc/13/95/90/180139590.db2.gz WYDFPMXUIOHSCY-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000339092489 180142806 /nfs/dbraw/zinc/14/28/06/180142806.db2.gz UQFVCPLSQKAYJY-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000339092489 180142808 /nfs/dbraw/zinc/14/28/08/180142808.db2.gz UQFVCPLSQKAYJY-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC[C@H]1CCOC1 ZINC000333017411 180119668 /nfs/dbraw/zinc/11/96/68/180119668.db2.gz HFXPKRJQUWRGMY-JTQLQIEISA-N 1 2 237.303 1.151 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1C[C@@H]1C ZINC000354925292 180119909 /nfs/dbraw/zinc/11/99/09/180119909.db2.gz SXITUSHVJBMLNP-CBAPKCEASA-N 1 2 207.277 1.380 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(CO)c1 ZINC000339228870 180120504 /nfs/dbraw/zinc/12/05/04/180120504.db2.gz YYKCKAIAMZVARW-UHFFFAOYSA-N 1 2 245.282 1.140 20 0 BDADLO CC(=O)Nc1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000101544307 191064476 /nfs/dbraw/zinc/06/44/76/191064476.db2.gz ZFYQCVFVZROUJU-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO CC(=O)Nc1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000101544307 191064478 /nfs/dbraw/zinc/06/44/78/191064478.db2.gz ZFYQCVFVZROUJU-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO CC1(CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000637104784 350200426 /nfs/dbraw/zinc/20/04/26/350200426.db2.gz VGCVVFAGRJUKSL-SNVBAGLBSA-N 1 2 248.330 1.297 20 0 BDADLO Cc1ncc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000338271410 180146773 /nfs/dbraw/zinc/14/67/73/180146773.db2.gz LTKZFSLOGVALAK-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3OCCC[C@H]23)cc[nH+]1 ZINC000302524909 180204605 /nfs/dbraw/zinc/20/46/05/180204605.db2.gz CRPOSKHXCPAXAT-MXWKQRLJSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(N[C@H](C)C(=O)NC(C)(C)C)cc[nH+]1 ZINC000134780247 180204825 /nfs/dbraw/zinc/20/48/25/180204825.db2.gz HYZWRNOBRBTCGD-MRVPVSSYSA-N 1 2 236.319 1.500 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H](O)CC2)cc[nH+]1 ZINC000157567242 180204935 /nfs/dbraw/zinc/20/49/35/180204935.db2.gz NFVVKXIDCNMYHJ-AOOOYVTPSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1nc(N[C@H](C)CC(C)(C)O)cc[nH+]1 ZINC000294872806 180205944 /nfs/dbraw/zinc/20/59/44/180205944.db2.gz BFSDPKHIRRZZIN-MRVPVSSYSA-N 1 2 209.293 1.746 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H]2CCO)cc[nH+]1 ZINC000275069817 180206077 /nfs/dbraw/zinc/20/60/77/180206077.db2.gz ZDLRVRIGMSSNIV-QWRGUYRKSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3OCCC[C@@H]23)cc[nH+]1 ZINC000302524907 180206122 /nfs/dbraw/zinc/20/61/22/180206122.db2.gz CRPOSKHXCPAXAT-HBNTYKKESA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(N[C@H](C)c2ncn(C)n2)cc[nH+]1 ZINC000275392694 180206372 /nfs/dbraw/zinc/20/63/72/180206372.db2.gz AWWGDYGTDBKGNP-SSDOTTSWSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1nccc(SCC[NH+]2CCOCC2)n1 ZINC000134580052 180206874 /nfs/dbraw/zinc/20/68/74/180206874.db2.gz QCEJWGYULKJLRY-UHFFFAOYSA-N 1 2 239.344 1.209 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@@](F)(CO)C2)n1 ZINC000353490913 180183434 /nfs/dbraw/zinc/18/34/34/180183434.db2.gz HXOVBQNCZWGCHO-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@@](F)(CO)C2)n1 ZINC000353490913 180183436 /nfs/dbraw/zinc/18/34/36/180183436.db2.gz HXOVBQNCZWGCHO-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cccnc2)[nH]1 ZINC000428301585 191079522 /nfs/dbraw/zinc/07/95/22/191079522.db2.gz BASOFPJWRPFBEI-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cccnc2)[nH]1 ZINC000428301585 191079525 /nfs/dbraw/zinc/07/95/25/191079525.db2.gz BASOFPJWRPFBEI-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccc(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000332578571 180185664 /nfs/dbraw/zinc/18/56/64/180185664.db2.gz HETUYFNEDGPSOZ-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1nccc(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000332578571 180185666 /nfs/dbraw/zinc/18/56/66/180185666.db2.gz HETUYFNEDGPSOZ-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)n1 ZINC000373612438 180186517 /nfs/dbraw/zinc/18/65/17/180186517.db2.gz RMMBVFOYNQKERN-HZMBPMFUSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)n1 ZINC000373612438 180186519 /nfs/dbraw/zinc/18/65/19/180186519.db2.gz RMMBVFOYNQKERN-HZMBPMFUSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)n1 ZINC000353095314 180186751 /nfs/dbraw/zinc/18/67/51/180186751.db2.gz LNYFABKJVGJGCG-GARJFASQSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)n1 ZINC000353095314 180186753 /nfs/dbraw/zinc/18/67/53/180186753.db2.gz LNYFABKJVGJGCG-GARJFASQSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ncccc1C(=O)NCCCn1cc[nH+]c1 ZINC000108446692 180211800 /nfs/dbraw/zinc/21/18/00/180211800.db2.gz WLAHXYLYZSFFDC-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368332466 180220348 /nfs/dbraw/zinc/22/03/48/180220348.db2.gz QJXKHMUYWMQBKV-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368332466 180220352 /nfs/dbraw/zinc/22/03/52/180220352.db2.gz QJXKHMUYWMQBKV-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ncccc1C[NH2+][C@H](C)c1ncnn1C ZINC000353194856 180222684 /nfs/dbraw/zinc/22/26/84/180222684.db2.gz UHLZKMLFPFULLN-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1[nH+]cccc1NCc1cnnn1C ZINC000158879158 180225997 /nfs/dbraw/zinc/22/59/97/180225997.db2.gz HGRKBPGJBCOHQQ-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(C[N@H+](C[C@@H]2CCOC2)C2CC2)no1 ZINC000051854230 350230464 /nfs/dbraw/zinc/23/04/64/350230464.db2.gz BYUICEBQZNBAME-JTQLQIEISA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)no1 ZINC000051854230 350230465 /nfs/dbraw/zinc/23/04/65/350230465.db2.gz BYUICEBQZNBAME-JTQLQIEISA-N 1 2 237.303 1.379 20 0 BDADLO Cc1cnc([C@@H](C)N(C)Cc2[nH+]ccn2C)cn1 ZINC000428308578 191081175 /nfs/dbraw/zinc/08/11/75/191081175.db2.gz IIXHMWBHMONJIK-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCCC1CC1 ZINC000526999316 323310181 /nfs/dbraw/zinc/31/01/81/323310181.db2.gz CUAYSDGWTGGAIW-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N2CC=CC2)c2[nH+]ccn21 ZINC000637197429 350257795 /nfs/dbraw/zinc/25/77/95/350257795.db2.gz IOFAZFPUWSEGHX-ZJUUUORDSA-N 1 2 232.287 1.470 20 0 BDADLO Cc1[nH+]ccn1Cc1nnc(C(C)(C)C)[nH]1 ZINC000292585544 180269729 /nfs/dbraw/zinc/26/97/29/180269729.db2.gz ZTTIVCYLKJLFLN-UHFFFAOYSA-N 1 2 219.292 1.655 20 0 BDADLO Cc1cc(NCc2ccn(C(C)C)n2)nc[nH+]1 ZINC000606156706 350280339 /nfs/dbraw/zinc/28/03/39/350280339.db2.gz OONSIAJDEZFZBC-UHFFFAOYSA-N 1 2 231.303 1.596 20 0 BDADLO Cc1cc(CNC(=O)N2CC=CC2)cc(C)[nH+]1 ZINC000637234848 350317489 /nfs/dbraw/zinc/31/74/89/350317489.db2.gz WTNCPEFOYKDDAX-UHFFFAOYSA-N 1 2 231.299 1.780 20 0 BDADLO Cc1ncsc1C[N@@H+](C)CC(=O)NC(C)C ZINC000066565817 180314042 /nfs/dbraw/zinc/31/40/42/180314042.db2.gz XUBFREBATRVUEG-UHFFFAOYSA-N 1 2 241.360 1.408 20 0 BDADLO Cc1ncsc1C[N@H+](C)CC(=O)NC(C)C ZINC000066565817 180314043 /nfs/dbraw/zinc/31/40/43/180314043.db2.gz XUBFREBATRVUEG-UHFFFAOYSA-N 1 2 241.360 1.408 20 0 BDADLO CC1(C)CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000309362811 350356453 /nfs/dbraw/zinc/35/64/53/350356453.db2.gz OGQMCGCEXNKTNW-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO Cc1ncsc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000275253094 180304189 /nfs/dbraw/zinc/30/41/89/180304189.db2.gz PZICCMUVWQHAHQ-UHFFFAOYSA-N 1 2 239.344 1.274 20 0 BDADLO O=C(CCc1ccoc1)N1CC(n2cc[nH+]c2)C1 ZINC000531473817 350374517 /nfs/dbraw/zinc/37/45/17/350374517.db2.gz WUZYAHKSIWNJKE-UHFFFAOYSA-N 1 2 245.282 1.492 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000152470470 323334642 /nfs/dbraw/zinc/33/46/42/323334642.db2.gz SVAQLHAWENELLH-UHFFFAOYSA-N 1 2 240.376 1.716 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000152470470 323334646 /nfs/dbraw/zinc/33/46/46/323334646.db2.gz SVAQLHAWENELLH-UHFFFAOYSA-N 1 2 240.376 1.716 20 0 BDADLO CCc1cc(NC[C@H]2CCCO2)nc[nH+]1 ZINC000040765065 350394557 /nfs/dbraw/zinc/39/45/57/350394557.db2.gz NHEMDYZVMMYPJL-SNVBAGLBSA-N 1 2 207.277 1.630 20 0 BDADLO CCc1cc(NCc2cnn(C)c2)nc[nH+]1 ZINC000041054994 350409554 /nfs/dbraw/zinc/40/95/54/350409554.db2.gz RHDYUJCJDPWEIR-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cc[nH]n1 ZINC000353529934 180371600 /nfs/dbraw/zinc/37/16/00/180371600.db2.gz RTCVEJDJHHMAIU-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353529934 180371602 /nfs/dbraw/zinc/37/16/02/180371602.db2.gz RTCVEJDJHHMAIU-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CCCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000428002790 191105210 /nfs/dbraw/zinc/10/52/10/191105210.db2.gz ZQAQUJOSSVJTJY-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000362336210 180381424 /nfs/dbraw/zinc/38/14/24/180381424.db2.gz NMCBBOOJTYHIII-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000362336210 180381426 /nfs/dbraw/zinc/38/14/26/180381426.db2.gz NMCBBOOJTYHIII-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO OCc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000163426924 350522378 /nfs/dbraw/zinc/52/23/78/350522378.db2.gz QVEGEPJWUTYLIU-UHFFFAOYSA-N 1 2 243.310 1.391 20 0 BDADLO Cc1cc(NCCc2nccs2)nc[nH+]1 ZINC000063134513 350573417 /nfs/dbraw/zinc/57/34/17/350573417.db2.gz ABJMYYLGINIHND-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO Cc1cc(N2CCOC[C@H]2C2CCC2)nc[nH+]1 ZINC000577509044 365974980 /nfs/dbraw/zinc/97/49/80/365974980.db2.gz UDXYEKAJGVVCKB-LBPRGKRZSA-N 1 2 233.315 1.790 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CF ZINC000567914589 350606013 /nfs/dbraw/zinc/60/60/13/350606013.db2.gz YXYHSZAIXAJSGY-ONGXEEELSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CF ZINC000567914589 350606017 /nfs/dbraw/zinc/60/60/17/350606017.db2.gz YXYHSZAIXAJSGY-ONGXEEELSA-N 1 2 239.294 1.549 20 0 BDADLO C/C=C\CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000637485062 350640138 /nfs/dbraw/zinc/64/01/38/350640138.db2.gz IRDVXVMLACBUCG-ARJAWSKDSA-N 1 2 234.303 1.293 20 0 BDADLO c1cc(N2CCCC2)ncc1C[NH+]1CCOCC1 ZINC000154507015 191115060 /nfs/dbraw/zinc/11/50/60/191115060.db2.gz QLZZYIAKSYMGQT-UHFFFAOYSA-N 1 2 247.342 1.514 20 0 BDADLO CCN(c1cc[nH+]c(C(C)C)n1)[C@@H](C)CO ZINC000338787708 350712592 /nfs/dbraw/zinc/71/25/92/350712592.db2.gz JCAVTZURWHWADV-JTQLQIEISA-N 1 2 223.320 1.807 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C3CCC3)C2)[nH+]1 ZINC000628310357 350788755 /nfs/dbraw/zinc/78/87/55/350788755.db2.gz ZSXLBIZLBOUVLH-LBPRGKRZSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1ccc(C[N@H+](CC(N)=O)C2CC2)o1 ZINC000051966760 350830376 /nfs/dbraw/zinc/83/03/76/350830376.db2.gz QNFYDMYIVVVSHH-UHFFFAOYSA-N 1 2 208.261 1.038 20 0 BDADLO Cc1ccc(C[N@@H+](CC(N)=O)C2CC2)o1 ZINC000051966760 350830378 /nfs/dbraw/zinc/83/03/78/350830378.db2.gz QNFYDMYIVVVSHH-UHFFFAOYSA-N 1 2 208.261 1.038 20 0 BDADLO CC[N@@H+](Cc1noc(C)n1)C[C@@H]1CCOC1 ZINC000052072474 350906465 /nfs/dbraw/zinc/90/64/65/350906465.db2.gz WQMKIMUASVKZCI-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO CC[N@H+](Cc1noc(C)n1)C[C@@H]1CCOC1 ZINC000052072474 350906468 /nfs/dbraw/zinc/90/64/68/350906468.db2.gz WQMKIMUASVKZCI-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009913 350908034 /nfs/dbraw/zinc/90/80/34/350908034.db2.gz HRSAVSWDXNYJDO-JTQLQIEISA-N 1 2 238.287 1.683 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009913 350908038 /nfs/dbraw/zinc/90/80/38/350908038.db2.gz HRSAVSWDXNYJDO-JTQLQIEISA-N 1 2 238.287 1.683 20 0 BDADLO C[C@H](C1CC1)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607142737 350943775 /nfs/dbraw/zinc/94/37/75/350943775.db2.gz BABGLPPFNMEYBY-SNVBAGLBSA-N 1 2 243.314 1.897 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC000616620896 350945176 /nfs/dbraw/zinc/94/51/76/350945176.db2.gz NJXGECZXSAIOKH-JTQLQIEISA-N 1 2 246.326 1.945 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC000616620896 350945178 /nfs/dbraw/zinc/94/51/78/350945178.db2.gz NJXGECZXSAIOKH-JTQLQIEISA-N 1 2 246.326 1.945 20 0 BDADLO Cc1ocnc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000577611016 366017470 /nfs/dbraw/zinc/01/74/70/366017470.db2.gz GLMOADDVLRVTDH-ZCFIWIBFSA-N 1 2 220.232 1.197 20 0 BDADLO C[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398323116 351034356 /nfs/dbraw/zinc/03/43/56/351034356.db2.gz NKLKDUGDJDSIQN-ZJUUUORDSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@@H]1CCC[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398323116 351034358 /nfs/dbraw/zinc/03/43/58/351034358.db2.gz NKLKDUGDJDSIQN-ZJUUUORDSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000398336806 351037126 /nfs/dbraw/zinc/03/71/26/351037126.db2.gz TUUIYJRDDCXAQS-WCBMZHEXSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000398336806 351037128 /nfs/dbraw/zinc/03/71/28/351037128.db2.gz TUUIYJRDDCXAQS-WCBMZHEXSA-N 1 2 208.309 1.719 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CC(=O)N(C)C ZINC000623121950 351053757 /nfs/dbraw/zinc/05/37/57/351053757.db2.gz WIUMQDFEYSLNKA-UHFFFAOYSA-N 1 2 226.242 1.349 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N(C)C ZINC000623121950 351053759 /nfs/dbraw/zinc/05/37/59/351053759.db2.gz WIUMQDFEYSLNKA-UHFFFAOYSA-N 1 2 226.242 1.349 20 0 BDADLO CCC[N@@H+](Cc1ccn(C)c(=O)c1)CC(F)F ZINC000623123074 351056320 /nfs/dbraw/zinc/05/63/20/351056320.db2.gz WKKDJXPJIPTGSA-UHFFFAOYSA-N 1 2 244.285 1.862 20 0 BDADLO CCC[N@H+](Cc1ccn(C)c(=O)c1)CC(F)F ZINC000623123074 351056323 /nfs/dbraw/zinc/05/63/23/351056323.db2.gz WKKDJXPJIPTGSA-UHFFFAOYSA-N 1 2 244.285 1.862 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccc(N)nc1 ZINC000630061002 362994045 /nfs/dbraw/zinc/99/40/45/362994045.db2.gz VLAVBIZCEIPAOW-UHFFFAOYSA-N 1 2 244.254 1.150 20 0 BDADLO COc1ccsc1C[NH2+]Cc1cnn[nH]1 ZINC000623577832 363010247 /nfs/dbraw/zinc/01/02/47/363010247.db2.gz HQFINCRPOMDJQQ-UHFFFAOYSA-N 1 2 224.289 1.165 20 0 BDADLO CCOc1ccccc1C[NH2+]Cc1cnn[nH]1 ZINC000398373035 351124610 /nfs/dbraw/zinc/12/46/10/351124610.db2.gz RSCJEUMPSMGRJI-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO CSc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398429719 351156200 /nfs/dbraw/zinc/15/62/00/351156200.db2.gz ZMQCVOOAGADNKM-UHFFFAOYSA-N 1 2 234.328 1.816 20 0 BDADLO CSc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398429719 351156206 /nfs/dbraw/zinc/15/62/06/351156206.db2.gz ZMQCVOOAGADNKM-UHFFFAOYSA-N 1 2 234.328 1.816 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)[C@H](C)CO1 ZINC000628324429 351236582 /nfs/dbraw/zinc/23/65/82/351236582.db2.gz SQIYLXCCOOFWBA-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccnn1C ZINC000264974967 351260258 /nfs/dbraw/zinc/26/02/58/351260258.db2.gz FJWIJZPKVVNRMS-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000680049996 487527471 /nfs/dbraw/zinc/52/74/71/487527471.db2.gz VGNJOTICLVJLLS-MRVPVSSYSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H]2CO)s1 ZINC000680049996 487527472 /nfs/dbraw/zinc/52/74/72/487527472.db2.gz VGNJOTICLVJLLS-MRVPVSSYSA-N 1 2 227.333 1.057 20 0 BDADLO Cc1ncc(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000628337207 351282976 /nfs/dbraw/zinc/28/29/76/351282976.db2.gz ZJSFXGBYRSACNP-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1ncc(CN(C)Cc2c[nH]c[nH+]2)o1 ZINC000628337207 351282981 /nfs/dbraw/zinc/28/29/81/351282981.db2.gz ZJSFXGBYRSACNP-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1nc(N[C@@H](C)CCC2CC2)nc(N)[nH+]1 ZINC000398147631 363019507 /nfs/dbraw/zinc/01/95/07/363019507.db2.gz CLFKOKKELYVYHV-ZETCQYMHSA-N 1 2 221.308 1.005 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)CCC2CC2)[nH+]1 ZINC000398147631 363019514 /nfs/dbraw/zinc/01/95/14/363019514.db2.gz CLFKOKKELYVYHV-ZETCQYMHSA-N 1 2 221.308 1.005 20 0 BDADLO Cc1noc(CN(C)Cc2[nH]c(C)c(C)[nH+]2)n1 ZINC000628328617 351267123 /nfs/dbraw/zinc/26/71/23/351267123.db2.gz QWZGCPUHOQMPFK-UHFFFAOYSA-N 1 2 235.291 1.350 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000336661030 191134555 /nfs/dbraw/zinc/13/45/55/191134555.db2.gz JVBWSXPDHUFUNC-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000336661030 191134556 /nfs/dbraw/zinc/13/45/56/191134556.db2.gz JVBWSXPDHUFUNC-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO c1csc(C[NH2+]Cc2ccns2)n1 ZINC000404411323 351431808 /nfs/dbraw/zinc/43/18/08/351431808.db2.gz JGOJBUZZHJZSCA-UHFFFAOYSA-N 1 2 211.315 1.889 20 0 BDADLO CCC[C@H](C[NH2+]Cc1ccn[nH]1)OCC ZINC000623598531 363035678 /nfs/dbraw/zinc/03/56/78/363035678.db2.gz FPXZGPDQIDPRAC-LLVKDONJSA-N 1 2 211.309 1.705 20 0 BDADLO CC[N@H+](Cc1ccnn1C)Cc1ccncc1 ZINC000271505060 351421582 /nfs/dbraw/zinc/42/15/82/351421582.db2.gz DQNBJJKQUVQGLR-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1ccnn1C)Cc1ccncc1 ZINC000271505060 351421583 /nfs/dbraw/zinc/42/15/83/351421583.db2.gz DQNBJJKQUVQGLR-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(F)cn1 ZINC000276192173 351612722 /nfs/dbraw/zinc/61/27/22/351612722.db2.gz CRNMEXLPWNNGLV-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(F)cn1 ZINC000276192173 351612723 /nfs/dbraw/zinc/61/27/23/351612723.db2.gz CRNMEXLPWNNGLV-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)C[C@H](C)O1 ZINC000637815771 351654811 /nfs/dbraw/zinc/65/48/11/351654811.db2.gz WCWSFUXUWSVOKI-NTZNESFSSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)C[C@H](C)O1 ZINC000637815771 351654814 /nfs/dbraw/zinc/65/48/14/351654814.db2.gz WCWSFUXUWSVOKI-NTZNESFSSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)[C@@H](C)O1 ZINC000637828745 351676933 /nfs/dbraw/zinc/67/69/33/351676933.db2.gz GQUVYKDGACCHSX-NQMVMOMDSA-N 1 2 235.287 1.246 20 0 BDADLO CCO[C@H]1C[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000577701884 366037964 /nfs/dbraw/zinc/03/79/64/366037964.db2.gz GJLYENAXWXWWQU-MNOVXSKESA-N 1 2 235.287 1.111 20 0 BDADLO C[C@@H](C(=O)Nc1ccccc1O)[NH+]1CC(C)C1 ZINC000577782235 366060420 /nfs/dbraw/zinc/06/04/20/366060420.db2.gz VDOZVVNOPIBVQS-JTQLQIEISA-N 1 2 234.299 1.671 20 0 BDADLO CCc1cncc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000279096922 351796725 /nfs/dbraw/zinc/79/67/25/351796725.db2.gz SOUFVLNKBAEEMR-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CC(C)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279123366 351797468 /nfs/dbraw/zinc/79/74/68/351797468.db2.gz DBWANYAEDOCVPR-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000577823295 366071855 /nfs/dbraw/zinc/07/18/55/366071855.db2.gz MWSBVKQWQILSRG-WCQYABFASA-N 1 2 235.331 1.513 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000124350556 191142679 /nfs/dbraw/zinc/14/26/79/191142679.db2.gz LRUAIZOJPVYNTE-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000124350556 191142681 /nfs/dbraw/zinc/14/26/81/191142681.db2.gz LRUAIZOJPVYNTE-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(C)cc1F ZINC000637955243 351832577 /nfs/dbraw/zinc/83/25/77/351832577.db2.gz ITHXMTQVRQDDAT-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(C)cc1F ZINC000637955243 351832580 /nfs/dbraw/zinc/83/25/80/351832580.db2.gz ITHXMTQVRQDDAT-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000232149157 351921120 /nfs/dbraw/zinc/92/11/20/351921120.db2.gz YEQKHFKSSFAMSA-GFCCVEGCSA-N 1 2 243.347 1.423 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000232149157 351921124 /nfs/dbraw/zinc/92/11/24/351921124.db2.gz YEQKHFKSSFAMSA-GFCCVEGCSA-N 1 2 243.347 1.423 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000618870607 351936313 /nfs/dbraw/zinc/93/63/13/351936313.db2.gz KESGNRGUZQLKDE-DGCLKSJQSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)CC2(C)C)sn1 ZINC000638091100 351967755 /nfs/dbraw/zinc/96/77/55/351967755.db2.gz PRBVKLNRCMAESS-UHFFFAOYSA-N 1 2 239.388 1.978 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)CC2(C)C)sn1 ZINC000638091100 351967756 /nfs/dbraw/zinc/96/77/56/351967756.db2.gz PRBVKLNRCMAESS-UHFFFAOYSA-N 1 2 239.388 1.978 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367090917 535172673 /nfs/dbraw/zinc/17/26/73/535172673.db2.gz DXDAJIVOWVFTHD-NWDGAFQWSA-N 1 2 241.331 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367090917 535172676 /nfs/dbraw/zinc/17/26/76/535172676.db2.gz DXDAJIVOWVFTHD-NWDGAFQWSA-N 1 2 241.331 1.296 20 0 BDADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ncn1 ZINC000607841403 352172175 /nfs/dbraw/zinc/17/21/75/352172175.db2.gz FFLKPKCAJQLBED-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO CCN(Cc1cccs1)C(=O)Cn1cc[nH+]c1 ZINC000073172293 352139031 /nfs/dbraw/zinc/13/90/31/352139031.db2.gz RTVXTULUNCVREH-UHFFFAOYSA-N 1 2 249.339 1.993 20 0 BDADLO c1cnn(C2CC([NH2+]Cc3ccn[nH]3)C2)c1 ZINC000638329764 352149886 /nfs/dbraw/zinc/14/98/86/352149886.db2.gz RFFGBZJDHOMTBD-UHFFFAOYSA-N 1 2 217.276 1.100 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)n1C)C[C@H](C)OC ZINC000291070315 352259510 /nfs/dbraw/zinc/25/95/10/352259510.db2.gz LONJPAAAMMMRDG-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)n1C)C[C@H](C)OC ZINC000291070315 352259514 /nfs/dbraw/zinc/25/95/14/352259514.db2.gz LONJPAAAMMMRDG-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C(F)F)CC2)[nH+]1 ZINC000630072985 363155855 /nfs/dbraw/zinc/15/58/55/363155855.db2.gz OOMWEEDDKMOMPJ-SECBINFHSA-N 1 2 245.273 1.574 20 0 BDADLO CCC[C@@](C)([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411269635 191174148 /nfs/dbraw/zinc/17/41/48/191174148.db2.gz BVSQIFIDUKPVAE-GFCCVEGCSA-N 1 2 243.347 1.613 20 0 BDADLO Cc1nc([C@H](C)N2CC[NH+](C3CCC3)CC2)n[nH]1 ZINC000411263083 191174180 /nfs/dbraw/zinc/17/41/80/191174180.db2.gz DTWAIMONVOOGDZ-JTQLQIEISA-N 1 2 249.362 1.344 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccc(CO)c2)o1 ZINC000638544654 352376902 /nfs/dbraw/zinc/37/69/02/352376902.db2.gz KLEHGYRASVZUCL-UHFFFAOYSA-N 1 2 232.283 1.765 20 0 BDADLO COCC(C)(C)CC(=O)NCCn1cc[nH+]c1 ZINC000411402603 191182543 /nfs/dbraw/zinc/18/25/43/191182543.db2.gz QRJWGGYMBMVZKQ-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1ccccc1 ZINC000041532763 180744047 /nfs/dbraw/zinc/74/40/47/180744047.db2.gz CCIDQWMAZWSQQR-UHFFFAOYSA-N 1 2 243.310 1.669 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)o1 ZINC000638647812 352490534 /nfs/dbraw/zinc/49/05/34/352490534.db2.gz JCPCOUNRYYRTGY-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H](CF)C2)c1 ZINC000411833599 191213756 /nfs/dbraw/zinc/21/37/56/191213756.db2.gz JRVTUWHQJFKJOQ-ZDUSSCGKSA-N 1 2 239.290 1.866 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H](CF)C2)c1 ZINC000411833599 191213758 /nfs/dbraw/zinc/21/37/58/191213758.db2.gz JRVTUWHQJFKJOQ-ZDUSSCGKSA-N 1 2 239.290 1.866 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccn2C(F)F)on1 ZINC000044991576 352553132 /nfs/dbraw/zinc/55/31/32/352553132.db2.gz QKSOWFPKPLNIPN-UHFFFAOYSA-N 1 2 242.229 1.864 20 0 BDADLO COC[C@@H](C(N)=O)[N@H+](C)C/C=C\c1ccccc1 ZINC000411809201 191216593 /nfs/dbraw/zinc/21/65/93/191216593.db2.gz YNVJYEQTLDAPIL-XURPKSDJSA-N 1 2 248.326 1.132 20 0 BDADLO COC[C@@H](C(N)=O)[N@@H+](C)C/C=C\c1ccccc1 ZINC000411809201 191216596 /nfs/dbraw/zinc/21/65/96/191216596.db2.gz YNVJYEQTLDAPIL-XURPKSDJSA-N 1 2 248.326 1.132 20 0 BDADLO CO[C@@](C)([C@@H](C)[NH2+]Cc1noc(C)n1)C1CC1 ZINC000411958661 191234773 /nfs/dbraw/zinc/23/47/73/191234773.db2.gz XHQPPEYXZOBBSG-PELKAZGASA-N 1 2 239.319 1.671 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1(C)CC1 ZINC000339166117 259427356 /nfs/dbraw/zinc/42/73/56/259427356.db2.gz SFOWSDNBIIAWJQ-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO COC1([C@@H](C)[NH2+]Cc2ccn[nH]2)CCC1 ZINC000412028224 191239831 /nfs/dbraw/zinc/23/98/31/191239831.db2.gz WRYFAOWXGFPPEQ-SECBINFHSA-N 1 2 209.293 1.457 20 0 BDADLO c1cn([C@@H]2CCCN(c3cnccn3)C2)c[nH+]1 ZINC000608082512 352746942 /nfs/dbraw/zinc/74/69/42/352746942.db2.gz BBCLETJLHLHZSQ-LLVKDONJSA-N 1 2 229.287 1.515 20 0 BDADLO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)OC ZINC000412038003 191247858 /nfs/dbraw/zinc/24/78/58/191247858.db2.gz IQLLZABHXWBHDS-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)OC ZINC000412038003 191247859 /nfs/dbraw/zinc/24/78/59/191247859.db2.gz IQLLZABHXWBHDS-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H](C)O1 ZINC000334217062 352817010 /nfs/dbraw/zinc/81/70/10/352817010.db2.gz WGMAPDCJHFWVTN-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H](C)O1 ZINC000334217062 352817012 /nfs/dbraw/zinc/81/70/12/352817012.db2.gz WGMAPDCJHFWVTN-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H](F)C[NH2+][C@@H](C)c1csnn1 ZINC000412044335 191249828 /nfs/dbraw/zinc/24/98/28/191249828.db2.gz QRSFQERSWMEXQN-NKWVEPMBSA-N 1 2 203.286 1.937 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000334242127 352830521 /nfs/dbraw/zinc/83/05/21/352830521.db2.gz XDPFONWIZRYMGA-ZYHUDNBSSA-N 1 2 231.299 1.828 20 0 BDADLO C[N@H+](CCC(C)(C)O)Cc1noc(C2CC2)n1 ZINC000412077516 191254246 /nfs/dbraw/zinc/25/42/46/191254246.db2.gz QXXKJLCZBDCTNG-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[N@@H+](CCC(C)(C)O)Cc1noc(C2CC2)n1 ZINC000412077516 191254247 /nfs/dbraw/zinc/25/42/47/191254247.db2.gz QXXKJLCZBDCTNG-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO Cn1cnnc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301536224 180795160 /nfs/dbraw/zinc/79/51/60/180795160.db2.gz QUOJMWWRCMRCTE-UHFFFAOYSA-N 1 2 246.318 1.515 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CCC2)C1 ZINC000334234326 352851111 /nfs/dbraw/zinc/85/11/11/352851111.db2.gz ZJSSSFZBRJDLKN-SNVBAGLBSA-N 1 2 248.330 1.472 20 0 BDADLO FC(F)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000334236194 352853813 /nfs/dbraw/zinc/85/38/13/352853813.db2.gz HOFFJNFWSFMOKQ-UHFFFAOYSA-N 1 2 215.247 1.887 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)c(C)n1C ZINC000334258002 352868779 /nfs/dbraw/zinc/86/87/79/352868779.db2.gz OFILTXNIMVJMDH-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO Cc1cc(C)c(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000334271073 352907874 /nfs/dbraw/zinc/90/78/74/352907874.db2.gz GOLBCAUAYHESRZ-UHFFFAOYSA-N 1 2 232.239 1.671 20 0 BDADLO CC(C)n1nccc1CN1CCn2cc[nH+]c2C1 ZINC000334272286 352909323 /nfs/dbraw/zinc/90/93/23/352909323.db2.gz WYXGLMKNLWDGOT-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCn2ccnc2C1 ZINC000334272286 352909326 /nfs/dbraw/zinc/90/93/26/352909326.db2.gz WYXGLMKNLWDGOT-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCn2ccnc2C1 ZINC000334272286 352909328 /nfs/dbraw/zinc/90/93/28/352909328.db2.gz WYXGLMKNLWDGOT-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CCc1cc(NC[C@H](CC(C)C)OC)nc[nH+]1 ZINC000642278426 363198974 /nfs/dbraw/zinc/19/89/74/363198974.db2.gz LXBSGVPQCJOPPU-LBPRGKRZSA-N 1 2 237.347 1.934 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000334263369 352897472 /nfs/dbraw/zinc/89/74/72/352897472.db2.gz JPQZYNSTTYBEFS-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000334263369 352897475 /nfs/dbraw/zinc/89/74/75/352897475.db2.gz JPQZYNSTTYBEFS-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO FC1(F)CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638840521 353016936 /nfs/dbraw/zinc/01/69/36/353016936.db2.gz DCYNUAJCOJJGFB-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638840521 353016940 /nfs/dbraw/zinc/01/69/40/353016940.db2.gz DCYNUAJCOJJGFB-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO CO[C@@H](C[N@@H+]1CCC(F)(F)C1)C1CCOCC1 ZINC000638842583 353019244 /nfs/dbraw/zinc/01/92/44/353019244.db2.gz VNVGPTUSRVZVMG-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@@H](C[N@H+]1CCC(F)(F)C1)C1CCOCC1 ZINC000638842583 353019247 /nfs/dbraw/zinc/01/92/47/353019247.db2.gz VNVGPTUSRVZVMG-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO CC(C)[C@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000608088124 353068206 /nfs/dbraw/zinc/06/82/06/353068206.db2.gz YDWSBUBAVYQDJU-SNVBAGLBSA-N 1 2 249.318 1.182 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)NCCCF ZINC000178074188 366085485 /nfs/dbraw/zinc/08/54/85/366085485.db2.gz QEFYOUICPVPBCV-UHFFFAOYSA-N 1 2 249.289 1.821 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000187350791 188001554 /nfs/dbraw/zinc/00/15/54/188001554.db2.gz YOKBIKNRCZNYKK-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000187350791 188001556 /nfs/dbraw/zinc/00/15/56/188001556.db2.gz YOKBIKNRCZNYKK-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cc1cccc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000109889537 188006431 /nfs/dbraw/zinc/00/64/31/188006431.db2.gz UBMKCGDPEGXDME-UHFFFAOYSA-N 1 2 229.239 1.743 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000365136097 188007715 /nfs/dbraw/zinc/00/77/15/188007715.db2.gz NTOWZZFRVGEYFZ-GFCCVEGCSA-N 1 2 247.342 1.918 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cn(C)nn1 ZINC000336701610 188012291 /nfs/dbraw/zinc/01/22/91/188012291.db2.gz NLRRKCOBMJJRQA-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cn(C)nn1 ZINC000336701610 188012292 /nfs/dbraw/zinc/01/22/92/188012292.db2.gz NLRRKCOBMJJRQA-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[N@H+](Cc1cn(C)nn1)Cc1cccnc1 ZINC000336784165 188012679 /nfs/dbraw/zinc/01/26/79/188012679.db2.gz XMGLQTVSMTVCAI-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC(C)[N@@H+](Cc1cn(C)nn1)Cc1cccnc1 ZINC000336784165 188012681 /nfs/dbraw/zinc/01/26/81/188012681.db2.gz XMGLQTVSMTVCAI-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C2CC2)C1 ZINC000366394806 188018924 /nfs/dbraw/zinc/01/89/24/188018924.db2.gz IQGQJLDHLMTEMD-LBPRGKRZSA-N 1 2 247.342 1.611 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@]12CCOC2 ZINC000367459278 188019241 /nfs/dbraw/zinc/01/92/41/188019241.db2.gz RZDDLRDFHBCDLF-CYBMUJFWSA-N 1 2 249.314 1.702 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCC[C@]12CCOC2 ZINC000367459278 188019242 /nfs/dbraw/zinc/01/92/42/188019242.db2.gz RZDDLRDFHBCDLF-CYBMUJFWSA-N 1 2 249.314 1.702 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000336389276 188019684 /nfs/dbraw/zinc/01/96/84/188019684.db2.gz KBXQYCBIBPESKG-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC(C)(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000266084661 188022612 /nfs/dbraw/zinc/02/26/12/188022612.db2.gz HJZVVGJOMLSWAX-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO CC(C)(CNc1cc[nH+]c2ccncc12)C(N)=O ZINC000268003914 188023403 /nfs/dbraw/zinc/02/34/03/188023403.db2.gz VBNFXNMQANTVQB-UHFFFAOYSA-N 1 2 244.298 1.553 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+](C)CC(C)C ZINC000269578955 188024485 /nfs/dbraw/zinc/02/44/85/188024485.db2.gz PDJHTCVBIMWPJY-LBPRGKRZSA-N 1 2 236.315 1.884 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)CC(C)C ZINC000269578955 188024487 /nfs/dbraw/zinc/02/44/87/188024487.db2.gz PDJHTCVBIMWPJY-LBPRGKRZSA-N 1 2 236.315 1.884 20 0 BDADLO CC(C)N1CC[N@@H+]([C@H](C)c2ccccn2)CC1=O ZINC000272629383 188026166 /nfs/dbraw/zinc/02/61/66/188026166.db2.gz WBQZIVSUYJAQHH-GFCCVEGCSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)N1CC[N@H+]([C@H](C)c2ccccn2)CC1=O ZINC000272629383 188026167 /nfs/dbraw/zinc/02/61/67/188026167.db2.gz WBQZIVSUYJAQHH-GFCCVEGCSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000274605450 188028338 /nfs/dbraw/zinc/02/83/38/188028338.db2.gz OFSPDFZJKIOZJE-VHSXEESVSA-N 1 2 221.304 1.328 20 0 BDADLO CC(C)[C@H](NC(=O)c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000276641345 188028885 /nfs/dbraw/zinc/02/88/85/188028885.db2.gz QSNYCYUUZGABOK-JTQLQIEISA-N 1 2 247.302 1.270 20 0 BDADLO CC(C)(O)C1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000275641806 188029217 /nfs/dbraw/zinc/02/92/17/188029217.db2.gz WSNSEFVJJIJVJW-UHFFFAOYSA-N 1 2 233.315 1.561 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1nccs1 ZINC000276511553 188029266 /nfs/dbraw/zinc/02/92/66/188029266.db2.gz JECVDLUEWHZBPJ-UHFFFAOYSA-N 1 2 236.300 1.448 20 0 BDADLO CC(C)=CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000276662654 188029316 /nfs/dbraw/zinc/02/93/16/188029316.db2.gz WMTMVSYZMIHKDU-UHFFFAOYSA-N 1 2 207.277 1.804 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CCC1 ZINC000280486979 188031298 /nfs/dbraw/zinc/03/12/98/188031298.db2.gz JTSOTQAVAZJMPZ-UHFFFAOYSA-N 1 2 207.277 1.021 20 0 BDADLO CC(=O)N1CCC[C@H](CNc2cccc[nH+]2)C1 ZINC000280565166 188031988 /nfs/dbraw/zinc/03/19/88/188031988.db2.gz VBUGXNNHBSIUBE-GFCCVEGCSA-N 1 2 233.315 1.752 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccncn1)c1[nH]cc[nH+]1 ZINC000282717663 188033158 /nfs/dbraw/zinc/03/31/58/188033158.db2.gz BHUHPKFUCVSKIY-JTQLQIEISA-N 1 2 245.286 1.327 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](CC)C2)cn1 ZINC000193664900 188004790 /nfs/dbraw/zinc/00/47/90/188004790.db2.gz GXIYRCIPVIIQGX-LBPRGKRZSA-N 1 2 221.304 1.594 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](CC)C2)cn1 ZINC000193664900 188004792 /nfs/dbraw/zinc/00/47/92/188004792.db2.gz GXIYRCIPVIIQGX-LBPRGKRZSA-N 1 2 221.304 1.594 20 0 BDADLO CC1(C)SC[C@H]1[NH2+]Cc1csnn1 ZINC000283032937 188049939 /nfs/dbraw/zinc/04/99/39/188049939.db2.gz NIZWLBNTWWASOE-SSDOTTSWSA-N 1 2 215.347 1.522 20 0 BDADLO Cc1ccncc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000336631738 188058601 /nfs/dbraw/zinc/05/86/01/188058601.db2.gz IONRAAOOSIYYLE-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC(C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000336616804 188058715 /nfs/dbraw/zinc/05/87/15/188058715.db2.gz ZCEGUJLENSINMV-UHFFFAOYSA-N 1 2 209.293 1.554 20 0 BDADLO CC[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000047577786 353152602 /nfs/dbraw/zinc/15/26/02/353152602.db2.gz JXCDCLMGWRBVLF-SNVBAGLBSA-N 1 2 224.308 1.371 20 0 BDADLO CC1(O)C[NH+](Cc2cccc(Cl)c2)C1 ZINC000084356667 538113865 /nfs/dbraw/zinc/11/38/65/538113865.db2.gz WSCJVXDUBSYMMN-UHFFFAOYSA-N 1 2 211.692 1.907 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000134577506 538113327 /nfs/dbraw/zinc/11/33/27/538113327.db2.gz VEFBZFHOOBFGSO-VIFPVBQESA-N 1 2 218.304 1.907 20 0 BDADLO C[C@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000398300852 363214496 /nfs/dbraw/zinc/21/44/96/363214496.db2.gz GKMGAUHPZWJGAM-UWVGGRQHSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000398300852 363214498 /nfs/dbraw/zinc/21/44/98/363214498.db2.gz GKMGAUHPZWJGAM-UWVGGRQHSA-N 1 2 208.309 1.863 20 0 BDADLO c1cc(C[NH2+]Cc2ccnn2CC2CCC2)on1 ZINC000639040805 353318459 /nfs/dbraw/zinc/31/84/59/353318459.db2.gz BEFFVOSEZZRIBS-UHFFFAOYSA-N 1 2 246.314 1.961 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)[C@H](C)CN1C ZINC000639057973 353363924 /nfs/dbraw/zinc/36/39/24/353363924.db2.gz HPLUGKBTVLLGSY-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)[C@H](C)CN1C ZINC000639057973 353363927 /nfs/dbraw/zinc/36/39/27/353363927.db2.gz HPLUGKBTVLLGSY-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)sn1 ZINC000639058696 353365451 /nfs/dbraw/zinc/36/54/51/353365451.db2.gz UGOHMTSENNVYRW-MNOVXSKESA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)sn1 ZINC000639058696 353365455 /nfs/dbraw/zinc/36/54/55/353365455.db2.gz UGOHMTSENNVYRW-MNOVXSKESA-N 1 2 239.388 1.976 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cncc(Cl)c1 ZINC000307975319 353377712 /nfs/dbraw/zinc/37/77/12/353377712.db2.gz SBBIXENJLXHDAS-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H](CO)O1 ZINC000230005308 353420797 /nfs/dbraw/zinc/42/07/97/353420797.db2.gz UMSGJGPGBVAJBN-UWVGGRQHSA-N 1 2 247.298 1.149 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)[C@@H]1CC1(F)F ZINC000639084546 353421785 /nfs/dbraw/zinc/42/17/85/353421785.db2.gz PBCJIVUOMPFJBO-CSMHCCOUSA-N 1 2 230.262 1.509 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccccn1 ZINC000398358263 363224143 /nfs/dbraw/zinc/22/41/43/363224143.db2.gz IKKDEJKUFJXHQT-MRVPVSSYSA-N 1 2 203.249 1.051 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(SC)CC1 ZINC000190595360 353405554 /nfs/dbraw/zinc/40/55/54/353405554.db2.gz LUIVMAFFFFSNRM-UHFFFAOYSA-N 1 2 238.312 1.924 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCC1CC1 ZINC000608160273 353443719 /nfs/dbraw/zinc/44/37/19/353443719.db2.gz YFRRGKIDYAFVMK-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CC[C@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CC1(C)C ZINC000398381828 363229018 /nfs/dbraw/zinc/22/90/18/363229018.db2.gz HLNFLJADMGLYNR-UWVGGRQHSA-N 1 2 208.309 1.719 20 0 BDADLO CC[C@H]([NH2+]Cc1cn[nH]n1)[C@@H]1CC1(C)C ZINC000398381828 363229021 /nfs/dbraw/zinc/22/90/21/363229021.db2.gz HLNFLJADMGLYNR-UWVGGRQHSA-N 1 2 208.309 1.719 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1CC(F)(F)C1 ZINC000577865606 366091133 /nfs/dbraw/zinc/09/11/33/366091133.db2.gz HRQDKRXDZUKJHL-UHFFFAOYSA-N 1 2 227.258 1.973 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCCC12CCC2 ZINC000398446755 363238727 /nfs/dbraw/zinc/23/87/27/363238727.db2.gz LNJPNXQNFUCLMR-JTQLQIEISA-N 1 2 206.293 1.617 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCCC12CCC2 ZINC000398446755 363238733 /nfs/dbraw/zinc/23/87/33/363238733.db2.gz LNJPNXQNFUCLMR-JTQLQIEISA-N 1 2 206.293 1.617 20 0 BDADLO Fc1cccc2c1C[N@@H+]([C@@H]1CCOC1)CCO2 ZINC000336481908 181006781 /nfs/dbraw/zinc/00/67/81/181006781.db2.gz QVFVJGBHHTYUET-SNVBAGLBSA-N 1 2 237.274 1.809 20 0 BDADLO Fc1cccc2c1C[N@H+]([C@@H]1CCOC1)CCO2 ZINC000336481908 181006783 /nfs/dbraw/zinc/00/67/83/181006783.db2.gz QVFVJGBHHTYUET-SNVBAGLBSA-N 1 2 237.274 1.809 20 0 BDADLO CCc1nc(C[N@H+](C[C@@H](C)O)C(C)C)no1 ZINC000107050142 353780597 /nfs/dbraw/zinc/78/05/97/353780597.db2.gz VZNGVYMUBSBYQP-SECBINFHSA-N 1 2 227.308 1.223 20 0 BDADLO CCc1nc(C[N@@H+](C[C@@H](C)O)C(C)C)no1 ZINC000107050142 353780599 /nfs/dbraw/zinc/78/05/99/353780599.db2.gz VZNGVYMUBSBYQP-SECBINFHSA-N 1 2 227.308 1.223 20 0 BDADLO Fc1cccnc1NCCCn1cc[nH+]c1 ZINC000054700551 181016058 /nfs/dbraw/zinc/01/60/58/181016058.db2.gz SZEXVOQTWWDTCV-UHFFFAOYSA-N 1 2 220.251 1.919 20 0 BDADLO COC(=O)C1([NH2+]C[C@H]2CCCO2)CCCCC1 ZINC000037957194 358480901 /nfs/dbraw/zinc/48/09/01/358480901.db2.gz IEIDZKSYQXQYAM-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000343396565 353876902 /nfs/dbraw/zinc/87/69/02/353876902.db2.gz KHDLXFGCWRNARE-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000343396565 353876904 /nfs/dbraw/zinc/87/69/04/353876904.db2.gz KHDLXFGCWRNARE-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCOCC12CC2 ZINC000639142572 353850256 /nfs/dbraw/zinc/85/02/56/353850256.db2.gz FDXCEPTZYKLAFH-GFCCVEGCSA-N 1 2 247.342 1.736 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)no1 ZINC000053420139 363275907 /nfs/dbraw/zinc/27/59/07/363275907.db2.gz YYKGKTWPHYFAFQ-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C)no1 ZINC000053420139 363275909 /nfs/dbraw/zinc/27/59/09/363275909.db2.gz YYKGKTWPHYFAFQ-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO O[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C4CC4)n3)C[C@H]12 ZINC000343514514 353925340 /nfs/dbraw/zinc/92/53/40/353925340.db2.gz KBMOWMNPYVYMAN-SDDRHHMPSA-N 1 2 245.326 1.561 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)CC1CCCC1 ZINC000577947426 366127928 /nfs/dbraw/zinc/12/79/28/366127928.db2.gz CZPGVISWPHKGGA-GFCCVEGCSA-N 1 2 223.320 1.441 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000343743899 353970578 /nfs/dbraw/zinc/97/05/78/353970578.db2.gz KRZGWQYWTLIWGQ-WDMOLILDSA-N 1 2 215.362 1.794 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000343743899 353970580 /nfs/dbraw/zinc/97/05/80/353970580.db2.gz KRZGWQYWTLIWGQ-WDMOLILDSA-N 1 2 215.362 1.794 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](CC)CCOC)n1 ZINC000343647241 353952418 /nfs/dbraw/zinc/95/24/18/353952418.db2.gz MXUSQXMSAREIRI-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](CC)CCOC)n1 ZINC000343647241 353952420 /nfs/dbraw/zinc/95/24/20/353952420.db2.gz MXUSQXMSAREIRI-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000343650714 353954120 /nfs/dbraw/zinc/95/41/20/353954120.db2.gz KKWGVGVXZWFAPR-RYUDHWBXSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000343678770 353961796 /nfs/dbraw/zinc/96/17/96/353961796.db2.gz WRSYJIHXFGSKRA-MWLCHTKSSA-N 1 2 207.277 1.462 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000343678770 353961798 /nfs/dbraw/zinc/96/17/98/353961798.db2.gz WRSYJIHXFGSKRA-MWLCHTKSSA-N 1 2 207.277 1.462 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC2(C)C)[nH+]1 ZINC000343795305 353999963 /nfs/dbraw/zinc/99/99/63/353999963.db2.gz RAZDRVRDUUOBMQ-SECBINFHSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CCC2(C)C)nc(N(C)C)[nH+]1 ZINC000343795305 353999965 /nfs/dbraw/zinc/99/99/65/353999965.db2.gz RAZDRVRDUUOBMQ-SECBINFHSA-N 1 2 235.335 1.268 20 0 BDADLO c1cc(NCC[C@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000343801165 354004923 /nfs/dbraw/zinc/00/49/23/354004923.db2.gz RDHRTCLLKBWUIB-JTQLQIEISA-N 1 2 233.315 1.614 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@H]2CC[C@@H]2C)[nH+]1 ZINC000343806163 354009242 /nfs/dbraw/zinc/00/92/42/354009242.db2.gz JVPMLGOXYUOCIX-UWVGGRQHSA-N 1 2 249.362 1.693 20 0 BDADLO CC(C)c1nc(N[C@H]2CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343806163 354009245 /nfs/dbraw/zinc/00/92/45/354009245.db2.gz JVPMLGOXYUOCIX-UWVGGRQHSA-N 1 2 249.362 1.693 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cncc(OC)c1 ZINC000343807648 354010130 /nfs/dbraw/zinc/01/01/30/354010130.db2.gz GWVQAKPHVZNOGM-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cncc(OC)c1 ZINC000343807648 354010131 /nfs/dbraw/zinc/01/01/31/354010131.db2.gz GWVQAKPHVZNOGM-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(CO)CCC2)[nH+]1 ZINC000343865306 354026922 /nfs/dbraw/zinc/02/69/22/354026922.db2.gz IMRNXHJCYNYSJS-UHFFFAOYSA-N 1 2 246.314 1.263 20 0 BDADLO Cc1nnc([C@@H](C)Nc2nc(C)[nH+]c(C)c2C)[nH]1 ZINC000343907136 354036715 /nfs/dbraw/zinc/03/67/15/354036715.db2.gz FJOUAKAFOPRIER-MRVPVSSYSA-N 1 2 246.318 1.423 20 0 BDADLO Cc1nc([C@@H](C)Nc2nc(C)[nH+]c(C)c2C)n[nH]1 ZINC000343907136 354036717 /nfs/dbraw/zinc/03/67/17/354036717.db2.gz FJOUAKAFOPRIER-MRVPVSSYSA-N 1 2 246.318 1.423 20 0 BDADLO C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000343910464 354038526 /nfs/dbraw/zinc/03/85/26/354038526.db2.gz CTHQKZJYUZUVSD-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000343978572 354057352 /nfs/dbraw/zinc/05/73/52/354057352.db2.gz LGISXPCMBBPPIY-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cncc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000343978572 354057354 /nfs/dbraw/zinc/05/73/54/354057354.db2.gz LGISXPCMBBPPIY-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1cc(N)nc(SCn2cccn2)[nH+]1 ZINC000230726504 363322780 /nfs/dbraw/zinc/32/27/80/363322780.db2.gz QXKYPIPUYWTSFK-UHFFFAOYSA-N 1 2 221.289 1.314 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cncs2)CCC1=O ZINC000334562030 354117430 /nfs/dbraw/zinc/11/74/30/354117430.db2.gz XHLPOQAWCMIZRT-SECBINFHSA-N 1 2 224.329 1.597 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cncs2)CCC1=O ZINC000334562030 354117432 /nfs/dbraw/zinc/11/74/32/354117432.db2.gz XHLPOQAWCMIZRT-SECBINFHSA-N 1 2 224.329 1.597 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cccnc1 ZINC000344129629 354147521 /nfs/dbraw/zinc/14/75/21/354147521.db2.gz PTTXZUMOEDFBES-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000231349019 363343337 /nfs/dbraw/zinc/34/33/37/363343337.db2.gz PSPVBYUDMGNRHD-VHSXEESVSA-N 1 2 231.361 1.813 20 0 BDADLO Cc1nc(N2CC[C@@H]([C@@H]3CCOC3)C2)cc[nH+]1 ZINC000371007442 354251314 /nfs/dbraw/zinc/25/13/14/354251314.db2.gz VAHMECGXCWMONA-VXGBXAGGSA-N 1 2 233.315 1.648 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C12CC(C1)C2 ZINC000627143112 363361702 /nfs/dbraw/zinc/36/17/02/363361702.db2.gz LONQARDJDPKDJU-RUETXSTFSA-N 1 2 231.299 1.114 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)[nH]n1 ZINC000334597142 354231515 /nfs/dbraw/zinc/23/15/15/354231515.db2.gz OMWUTBLLIGTSAZ-SNVBAGLBSA-N 1 2 245.286 1.419 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)n[nH]1 ZINC000334597142 354231517 /nfs/dbraw/zinc/23/15/17/354231517.db2.gz OMWUTBLLIGTSAZ-SNVBAGLBSA-N 1 2 245.286 1.419 20 0 BDADLO CC1(c2csc([C@H]3COCC[NH2+]3)n2)CC1 ZINC000334603932 354284536 /nfs/dbraw/zinc/28/45/36/354284536.db2.gz SNAMEKSPHRSIBL-MRVPVSSYSA-N 1 2 224.329 1.856 20 0 BDADLO CN(C(=O)[C@H]1CCC[N@@H+]1C)c1nccs1 ZINC000623181465 354288976 /nfs/dbraw/zinc/28/89/76/354288976.db2.gz PKCSGXXJMZUKSH-MRVPVSSYSA-N 1 2 225.317 1.200 20 0 BDADLO CN(C(=O)[C@H]1CCC[N@H+]1C)c1nccs1 ZINC000623181465 354288977 /nfs/dbraw/zinc/28/89/77/354288977.db2.gz PKCSGXXJMZUKSH-MRVPVSSYSA-N 1 2 225.317 1.200 20 0 BDADLO c1nnn2c1C[N@H+](CCOc1ccccc1)CC2 ZINC000577961151 366144777 /nfs/dbraw/zinc/14/47/77/366144777.db2.gz KRUALXYFYGNXDY-UHFFFAOYSA-N 1 2 244.298 1.173 20 0 BDADLO c1nnn2c1C[N@@H+](CCOc1ccccc1)CC2 ZINC000577961151 366144782 /nfs/dbraw/zinc/14/47/82/366144782.db2.gz KRUALXYFYGNXDY-UHFFFAOYSA-N 1 2 244.298 1.173 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000577975290 366155088 /nfs/dbraw/zinc/15/50/88/366155088.db2.gz HRTUJYRCQAIHBU-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CS1 ZINC000412612231 191300454 /nfs/dbraw/zinc/30/04/54/191300454.db2.gz VDEPBALMEJNLMM-ZJUUUORDSA-N 1 2 239.344 1.283 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334633059 354376820 /nfs/dbraw/zinc/37/68/20/354376820.db2.gz GWGCTORQUGGTCZ-JQWIXIFHSA-N 1 2 246.310 1.695 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334633059 354376823 /nfs/dbraw/zinc/37/68/23/354376823.db2.gz GWGCTORQUGGTCZ-JQWIXIFHSA-N 1 2 246.310 1.695 20 0 BDADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ncnn1C ZINC000639185991 354381329 /nfs/dbraw/zinc/38/13/29/354381329.db2.gz HHTHSDWKPAPECN-RNCFNFMXSA-N 1 2 244.298 1.427 20 0 BDADLO CSc1ccc(NCc2cnc(C)nc2)[nH+]c1 ZINC000344966533 354385053 /nfs/dbraw/zinc/38/50/53/354385053.db2.gz OZWAYACFEFTITI-UHFFFAOYSA-N 1 2 246.339 1.936 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000334623751 354362607 /nfs/dbraw/zinc/36/26/07/354362607.db2.gz BHYHYBWTZRAVAJ-LLVKDONJSA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000334623751 354362609 /nfs/dbraw/zinc/36/26/09/354362609.db2.gz BHYHYBWTZRAVAJ-LLVKDONJSA-N 1 2 216.300 1.335 20 0 BDADLO CC1(CO)CN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000334681961 354427692 /nfs/dbraw/zinc/42/76/92/354427692.db2.gz CQCCHHBIHCAMJT-UHFFFAOYSA-N 1 2 246.232 1.919 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@@H](CC)C(=O)OC)CCO1 ZINC000179150237 366211461 /nfs/dbraw/zinc/21/14/61/366211461.db2.gz AZNLFZWYAACFEY-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@@H](CC)C(=O)OC)CCO1 ZINC000179150237 366211465 /nfs/dbraw/zinc/21/14/65/366211465.db2.gz AZNLFZWYAACFEY-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO COC1CCC(NC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000334747442 354472109 /nfs/dbraw/zinc/47/21/09/354472109.db2.gz WVPKUXCQOVYRIL-UHFFFAOYSA-N 1 2 237.303 1.406 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3cncc(F)c3)CCN12 ZINC000334737915 354540339 /nfs/dbraw/zinc/54/03/39/354540339.db2.gz ODMBVNBZROIOIU-GFCCVEGCSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3cncc(F)c3)CCN12 ZINC000334737915 354540343 /nfs/dbraw/zinc/54/03/43/354540343.db2.gz ODMBVNBZROIOIU-GFCCVEGCSA-N 1 2 249.289 1.027 20 0 BDADLO Fc1cncc(C[N@@H+]2CCn3ccnc3C2)c1 ZINC000334738009 354540433 /nfs/dbraw/zinc/54/04/33/354540433.db2.gz RGCUPJGQVXJSAB-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cncc(C[N@H+]2CCn3ccnc3C2)c1 ZINC000334738009 354540436 /nfs/dbraw/zinc/54/04/36/354540436.db2.gz RGCUPJGQVXJSAB-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000334698645 354490948 /nfs/dbraw/zinc/49/09/48/354490948.db2.gz NZAZZCRBSXEGNH-VIFPVBQESA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000334698645 354490952 /nfs/dbraw/zinc/49/09/52/354490952.db2.gz NZAZZCRBSXEGNH-VIFPVBQESA-N 1 2 216.300 1.287 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2C[C@]2(C)C(C)C)c[nH+]1 ZINC000334716009 354514698 /nfs/dbraw/zinc/51/46/98/354514698.db2.gz MYDHGGRYRRSNNV-CMPLNLGQSA-N 1 2 221.304 1.883 20 0 BDADLO C[C@H]1CC=C(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000334720877 354520995 /nfs/dbraw/zinc/52/09/95/354520995.db2.gz CMJFTGNLKATNFB-NSHDSACASA-N 1 2 245.326 1.972 20 0 BDADLO C[C@H]1CC=C(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000334724519 354524474 /nfs/dbraw/zinc/52/44/74/354524474.db2.gz MOTAAJZEXJKUCP-VIFPVBQESA-N 1 2 219.288 1.772 20 0 BDADLO Cc1cc(NC(=O)[C@@H](O)C2CCCCC2)cc[nH+]1 ZINC000334802345 354557496 /nfs/dbraw/zinc/55/74/96/354557496.db2.gz HBBJDRQNBTUHCQ-ZDUSSCGKSA-N 1 2 248.326 1.692 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000334814168 354571130 /nfs/dbraw/zinc/57/11/30/354571130.db2.gz DOJHGSBEIRJUQN-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000334814168 354571133 /nfs/dbraw/zinc/57/11/33/354571133.db2.gz DOJHGSBEIRJUQN-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000334814168 354571136 /nfs/dbraw/zinc/57/11/36/354571136.db2.gz DOJHGSBEIRJUQN-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)n1 ZINC000334815376 354573599 /nfs/dbraw/zinc/57/35/99/354573599.db2.gz YILQPHGAIOXTOW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)n1 ZINC000334815376 354573600 /nfs/dbraw/zinc/57/36/00/354573600.db2.gz YILQPHGAIOXTOW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO C[C@@]1(F)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000334755022 354576250 /nfs/dbraw/zinc/57/62/50/354576250.db2.gz PGWNAEZWZIGEGV-NKWVEPMBSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@@]1(F)CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000334755022 354576251 /nfs/dbraw/zinc/57/62/51/354576251.db2.gz PGWNAEZWZIGEGV-NKWVEPMBSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2ccccn2)c2[nH+]ccn21 ZINC000334744533 354548071 /nfs/dbraw/zinc/54/80/71/354548071.db2.gz TWRIBYUAWZSKCV-KOLCDFICSA-N 1 2 242.282 1.714 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335081071 354643920 /nfs/dbraw/zinc/64/39/20/354643920.db2.gz NIOSNMJNXVKDSL-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335081071 354643923 /nfs/dbraw/zinc/64/39/23/354643923.db2.gz NIOSNMJNXVKDSL-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO CC(C)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345387139 354647777 /nfs/dbraw/zinc/64/77/77/354647777.db2.gz NKOAWIYYDUYYIC-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)c1cc(C(=O)Nc2cc[nH+]cc2O)on1 ZINC000345375801 354657217 /nfs/dbraw/zinc/65/72/17/354657217.db2.gz MVIQRQVPDMYADL-UHFFFAOYSA-N 1 2 247.254 1.573 20 0 BDADLO CSC1(CNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000345320219 354609979 /nfs/dbraw/zinc/60/99/79/354609979.db2.gz OTIVARWUILSWMP-UHFFFAOYSA-N 1 2 225.317 1.344 20 0 BDADLO CN(C)c1ncc(C[NH+]2CCSCC2)n1C ZINC000335113230 354700769 /nfs/dbraw/zinc/70/07/69/354700769.db2.gz YEWPJCOLWPCTHZ-UHFFFAOYSA-N 1 2 240.376 1.035 20 0 BDADLO CN(C)c1[nH+]cc(CN2CCSCC2)n1C ZINC000335113230 354700772 /nfs/dbraw/zinc/70/07/72/354700772.db2.gz YEWPJCOLWPCTHZ-UHFFFAOYSA-N 1 2 240.376 1.035 20 0 BDADLO CN(Cc1ccco1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000345612460 354714447 /nfs/dbraw/zinc/71/44/47/354714447.db2.gz OVDOTMVIIYLRAW-UHFFFAOYSA-N 1 2 247.298 1.939 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000335119169 354724694 /nfs/dbraw/zinc/72/46/94/354724694.db2.gz TXBSAKVGTIMTID-NSHDSACASA-N 1 2 240.322 1.945 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000335119169 354724698 /nfs/dbraw/zinc/72/46/98/354724698.db2.gz TXBSAKVGTIMTID-NSHDSACASA-N 1 2 240.322 1.945 20 0 BDADLO CC(C)CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345526672 354673210 /nfs/dbraw/zinc/67/32/10/354673210.db2.gz VWLSMVHDILQBPD-VIFPVBQESA-N 1 2 234.290 1.536 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccns1 ZINC000639210737 354756589 /nfs/dbraw/zinc/75/65/89/354756589.db2.gz ISTGCTRFNNEYPL-JTQLQIEISA-N 1 2 225.361 1.669 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1ccns1 ZINC000639210737 354756594 /nfs/dbraw/zinc/75/65/94/354756594.db2.gz ISTGCTRFNNEYPL-JTQLQIEISA-N 1 2 225.361 1.669 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCOC1 ZINC000335134899 354783724 /nfs/dbraw/zinc/78/37/24/354783724.db2.gz NUHXQHBORGLBGB-LBPRGKRZSA-N 1 2 220.272 1.177 20 0 BDADLO CC(C)n1cc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000345915078 354806949 /nfs/dbraw/zinc/80/69/49/354806949.db2.gz WKITWEZJHMULFH-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO CC(C)n1cc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000345915078 354806954 /nfs/dbraw/zinc/80/69/54/354806954.db2.gz WKITWEZJHMULFH-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO COc1ncc(C[N@H+](C(C)C)C2COC2)s1 ZINC000639216167 354840163 /nfs/dbraw/zinc/84/01/63/354840163.db2.gz QHDGSMNKVCVDPK-UHFFFAOYSA-N 1 2 242.344 1.761 20 0 BDADLO COc1ncc(C[N@@H+](C(C)C)C2COC2)s1 ZINC000639216167 354840165 /nfs/dbraw/zinc/84/01/65/354840165.db2.gz QHDGSMNKVCVDPK-UHFFFAOYSA-N 1 2 242.344 1.761 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000639221631 354908520 /nfs/dbraw/zinc/90/85/20/354908520.db2.gz DKLDOYZRIASXBX-SNVBAGLBSA-N 1 2 206.293 1.282 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000639221631 354908521 /nfs/dbraw/zinc/90/85/21/354908521.db2.gz DKLDOYZRIASXBX-SNVBAGLBSA-N 1 2 206.293 1.282 20 0 BDADLO COCCOCCNc1nc(C)[nH+]cc1C ZINC000514950615 491070150 /nfs/dbraw/zinc/07/01/50/491070150.db2.gz JSJMWMDROLQLIV-UHFFFAOYSA-N 1 2 225.292 1.168 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000346419715 354922028 /nfs/dbraw/zinc/92/20/28/354922028.db2.gz YBNXKHLOMAOAIG-JTQLQIEISA-N 1 2 249.362 1.949 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000346419715 354922032 /nfs/dbraw/zinc/92/20/32/354922032.db2.gz YBNXKHLOMAOAIG-JTQLQIEISA-N 1 2 249.362 1.949 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](CO)[C@H]1C ZINC000335168488 354929441 /nfs/dbraw/zinc/92/94/41/354929441.db2.gz GYADQMKJCVCCRT-GHMZBOCLSA-N 1 2 249.314 1.047 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)[C@H]2C)[nH]1 ZINC000335209262 355045835 /nfs/dbraw/zinc/04/58/35/355045835.db2.gz BFPRPUXXMPMNHH-HTQZYQBOSA-N 1 2 226.349 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2C)[nH]1 ZINC000335209262 355045838 /nfs/dbraw/zinc/04/58/38/355045838.db2.gz BFPRPUXXMPMNHH-HTQZYQBOSA-N 1 2 226.349 1.439 20 0 BDADLO Cc1cc(N2CCC[C@@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000346647675 355018064 /nfs/dbraw/zinc/01/80/64/355018064.db2.gz DMFRBUTUHUPXQV-LLVKDONJSA-N 1 2 247.342 1.871 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)C[C@H]2F)cc[nH+]1 ZINC000335228944 355070965 /nfs/dbraw/zinc/07/09/65/355070965.db2.gz DLWUDZSZYBLBJD-KOLCDFICSA-N 1 2 208.236 1.499 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000346695684 355059386 /nfs/dbraw/zinc/05/93/86/355059386.db2.gz FPUOHGXCZKYVGC-NXEZZACHSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C)[C@H](C)C2)[nH+]1 ZINC000346695684 355059388 /nfs/dbraw/zinc/05/93/88/355059388.db2.gz FPUOHGXCZKYVGC-NXEZZACHSA-N 1 2 249.362 1.728 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)C1(C)CCCC1 ZINC000335185915 355084467 /nfs/dbraw/zinc/08/44/67/355084467.db2.gz UJBYTULZMGRAGR-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000346778004 355113834 /nfs/dbraw/zinc/11/38/34/355113834.db2.gz KXBZAIQIQJALKM-SNVBAGLBSA-N 1 2 249.314 1.599 20 0 BDADLO CC(C)N1CC[NH+](CCOC2CCC2)CC1 ZINC000346877344 355141850 /nfs/dbraw/zinc/14/18/50/355141850.db2.gz WWLYRRPRVZMNGF-UHFFFAOYSA-N 1 2 226.364 1.582 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOC1CCC1 ZINC000346911432 355151186 /nfs/dbraw/zinc/15/11/86/355151186.db2.gz VDIBUWGEVBOWRQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOC1CCC1 ZINC000346911432 355151187 /nfs/dbraw/zinc/15/11/87/355151187.db2.gz VDIBUWGEVBOWRQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)c1ccc2[nH+]ccn2c1 ZINC000335253393 355210073 /nfs/dbraw/zinc/21/00/73/355210073.db2.gz PVTRIMMPDDCWFH-AOOOYVTPSA-N 1 2 229.283 1.957 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1ncc(Cl)s1 ZINC000352010760 134034946 /nfs/dbraw/zinc/03/49/46/134034946.db2.gz JEGRHGDUJVECNM-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000352010760 134034947 /nfs/dbraw/zinc/03/49/47/134034947.db2.gz JEGRHGDUJVECNM-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO COc1ccncc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000346981177 355183669 /nfs/dbraw/zinc/18/36/69/355183669.db2.gz NBZVHTDKNPJABV-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1ccncc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000346981177 355183671 /nfs/dbraw/zinc/18/36/71/355183671.db2.gz NBZVHTDKNPJABV-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO C[C@@H](O)C[N@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000639236015 355220763 /nfs/dbraw/zinc/22/07/63/355220763.db2.gz WQPPDRCUPORWIW-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H](O)C[N@@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000639236015 355220765 /nfs/dbraw/zinc/22/07/65/355220765.db2.gz WQPPDRCUPORWIW-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CS(=O)(=O)C1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639243658 355229589 /nfs/dbraw/zinc/22/95/89/355229589.db2.gz GYOVNYCZMXVXLJ-OUAUKWLOSA-N 1 2 243.372 1.151 20 0 BDADLO CC[C@H](CCO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413149029 191360240 /nfs/dbraw/zinc/36/02/40/191360240.db2.gz BFCKLFUDJHLHCC-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@H](CCO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413149029 191360242 /nfs/dbraw/zinc/36/02/42/191360242.db2.gz BFCKLFUDJHLHCC-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2cccnn2)CCO1 ZINC000413002318 191335548 /nfs/dbraw/zinc/33/55/48/191335548.db2.gz RRRQYUYTDVFDDX-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2cccnn2)CCO1 ZINC000413002318 191335550 /nfs/dbraw/zinc/33/55/50/191335550.db2.gz RRRQYUYTDVFDDX-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO COCC[N@H+](Cc1cn(C(C)C)nn1)C1CC1 ZINC000347611631 355234892 /nfs/dbraw/zinc/23/48/92/355234892.db2.gz MSXGQFMWYWLRGD-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO COCC[N@@H+](Cc1cn(C(C)C)nn1)C1CC1 ZINC000347611631 355234895 /nfs/dbraw/zinc/23/48/95/355234895.db2.gz MSXGQFMWYWLRGD-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO Cc1coc(SCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000413004536 191336956 /nfs/dbraw/zinc/33/69/56/191336956.db2.gz KHIUPLNISVRLFZ-JTQLQIEISA-N 1 2 242.344 1.796 20 0 BDADLO Cc1coc(SCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000413004536 191336958 /nfs/dbraw/zinc/33/69/58/191336958.db2.gz KHIUPLNISVRLFZ-JTQLQIEISA-N 1 2 242.344 1.796 20 0 BDADLO CCC[C@H](C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639234557 355218388 /nfs/dbraw/zinc/21/83/88/355218388.db2.gz KLJHBWLLERWJON-NXEZZACHSA-N 1 2 239.306 1.749 20 0 BDADLO CCC[C@H](C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639234557 355218391 /nfs/dbraw/zinc/21/83/91/355218391.db2.gz KLJHBWLLERWJON-NXEZZACHSA-N 1 2 239.306 1.749 20 0 BDADLO COCC[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413111716 191354478 /nfs/dbraw/zinc/35/44/78/191354478.db2.gz QGULFHAIHSIWAV-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO COCC[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413111716 191354479 /nfs/dbraw/zinc/35/44/79/191354479.db2.gz QGULFHAIHSIWAV-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO FC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000413470534 191383746 /nfs/dbraw/zinc/38/37/46/191383746.db2.gz GTCKRSNIHOTBJR-SNVBAGLBSA-N 1 2 237.278 1.529 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000335290304 355263242 /nfs/dbraw/zinc/26/32/42/355263242.db2.gz YCIPGXLFPAGZRL-AAEUAGOBSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(F)C2)C1 ZINC000335290304 355263246 /nfs/dbraw/zinc/26/32/46/355263246.db2.gz YCIPGXLFPAGZRL-AAEUAGOBSA-N 1 2 242.338 1.679 20 0 BDADLO CCC[C@@H](O)[C@H](CO)Nc1cccc[nH+]1 ZINC000413497555 191390029 /nfs/dbraw/zinc/39/00/29/191390029.db2.gz TWSHHKOIEZQNQT-VHSXEESVSA-N 1 2 210.277 1.015 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000347641292 355270994 /nfs/dbraw/zinc/27/09/94/355270994.db2.gz RHHKPPXBPGBWEV-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000347641292 355270997 /nfs/dbraw/zinc/27/09/97/355270997.db2.gz RHHKPPXBPGBWEV-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413239435 191363105 /nfs/dbraw/zinc/36/31/05/191363105.db2.gz IVNVXBJHLMITGF-RKDXNWHRSA-N 1 2 236.319 1.622 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413239435 191363108 /nfs/dbraw/zinc/36/31/08/191363108.db2.gz IVNVXBJHLMITGF-RKDXNWHRSA-N 1 2 236.319 1.622 20 0 BDADLO Cc1nc(NC[C@@H]2CCOC(C)(C)C2)cc[nH+]1 ZINC000413343088 191372916 /nfs/dbraw/zinc/37/29/16/191372916.db2.gz WIQUIWOGSHLJMW-LLVKDONJSA-N 1 2 235.331 1.824 20 0 BDADLO CCc1nsc(NCCc2ccc(C)c[nH+]2)n1 ZINC000413356236 191374053 /nfs/dbraw/zinc/37/40/53/191374053.db2.gz TXIPWXLWHFCUNG-UHFFFAOYSA-N 1 2 248.355 1.880 20 0 BDADLO CCOc1cncc(NCCc2cn(C)c[nH+]2)n1 ZINC000413380686 191376946 /nfs/dbraw/zinc/37/69/46/191376946.db2.gz JHGAAVFLADUWJV-UHFFFAOYSA-N 1 2 247.302 1.263 20 0 BDADLO Cc1cc(NC[C@H]2CCC[C@@H]2O)nc(C2CC2)[nH+]1 ZINC000413382986 191378176 /nfs/dbraw/zinc/37/81/76/191378176.db2.gz ZSXVJOZIEGWWCL-NEPJUHHUSA-N 1 2 247.342 1.657 20 0 BDADLO Cc1nc(N2CCC[C@H](CO)[C@H]2C)cc[nH+]1 ZINC000413591725 191397877 /nfs/dbraw/zinc/39/78/77/191397877.db2.gz JGDZXIGQSOCWFY-MWLCHTKSSA-N 1 2 221.304 1.382 20 0 BDADLO FC(F)C1C[NH+](Cc2ccns2)C1 ZINC000639252594 355288703 /nfs/dbraw/zinc/28/87/03/355288703.db2.gz LVBPWXZLUJPGFK-UHFFFAOYSA-N 1 2 204.245 1.840 20 0 BDADLO COc1ncc(C[NH+]2CC(C(C)(C)O)C2)s1 ZINC000639252793 355289738 /nfs/dbraw/zinc/28/97/38/355289738.db2.gz UNTGMDZQRFXJPT-UHFFFAOYSA-N 1 2 242.344 1.354 20 0 BDADLO CC(=O)Nc1ccccc1C[NH+]1CC(C)(O)C1 ZINC000639253837 355292726 /nfs/dbraw/zinc/29/27/26/355292726.db2.gz RWAVKVKHOKHPSV-UHFFFAOYSA-N 1 2 234.299 1.212 20 0 BDADLO Cc1nnsc1C[NH+]1CC(C(C)(C)O)C1 ZINC000639252257 355286206 /nfs/dbraw/zinc/28/62/06/355286206.db2.gz BZDCHKQEZCHYTB-UHFFFAOYSA-N 1 2 227.333 1.049 20 0 BDADLO COc1cc(C[NH+]2CC(C(F)F)C2)sn1 ZINC000639252953 355287804 /nfs/dbraw/zinc/28/78/04/355287804.db2.gz WXENBYGYRHSPNB-UHFFFAOYSA-N 1 2 234.271 1.849 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC(C)(C)C ZINC000349241429 355373949 /nfs/dbraw/zinc/37/39/49/355373949.db2.gz NFNYXWFUFKZLQQ-DTWKUNHWSA-N 1 2 239.319 1.628 20 0 BDADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1ccon1 ZINC000349242461 355374863 /nfs/dbraw/zinc/37/48/63/355374863.db2.gz LVWKDNDBYKMBBG-SNVBAGLBSA-N 1 2 245.282 1.964 20 0 BDADLO C[C@H]1C[NH+](CC2=CCCOC2)C[C@H](C)S1=O ZINC000335753520 355392636 /nfs/dbraw/zinc/39/26/36/355392636.db2.gz KJPQQPKIRIVBHV-QWRGUYRKSA-N 1 2 243.372 1.174 20 0 BDADLO COc1cc[nH+]cc1NCc1cc(C)n(C)n1 ZINC000414303251 191495372 /nfs/dbraw/zinc/49/53/72/191495372.db2.gz VHCOLBSFCSGTDS-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO CCCCOCC[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000349747096 355422276 /nfs/dbraw/zinc/42/22/76/355422276.db2.gz PTBMFRJJUWMFPO-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCOCC[N@H+]1CCNC(=O)[C@@H]1CC ZINC000349747096 355422279 /nfs/dbraw/zinc/42/22/79/355422279.db2.gz PTBMFRJJUWMFPO-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO C(c1noc(C2CC2)n1)[NH+]1CCC2(CCO2)CC1 ZINC000367100321 355423275 /nfs/dbraw/zinc/42/32/75/355423275.db2.gz OPTWQKGVLVBSJJ-UHFFFAOYSA-N 1 2 249.314 1.702 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)nc1 ZINC000335800579 355493666 /nfs/dbraw/zinc/49/36/66/355493666.db2.gz QOIVPLXERYOTCG-JQWIXIFHSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)nc1 ZINC000335800579 355493668 /nfs/dbraw/zinc/49/36/68/355493668.db2.gz QOIVPLXERYOTCG-JQWIXIFHSA-N 1 2 224.279 1.295 20 0 BDADLO C[N@H+](Cc1ccsc1Cl)[C@@H]1COC[C@H]1O ZINC000335997095 134042857 /nfs/dbraw/zinc/04/28/57/134042857.db2.gz QTLRKBOJEHOGOQ-RKDXNWHRSA-N 1 2 247.747 1.593 20 0 BDADLO C[N@@H+](Cc1ccsc1Cl)[C@@H]1COC[C@H]1O ZINC000335997095 134042858 /nfs/dbraw/zinc/04/28/58/134042858.db2.gz QTLRKBOJEHOGOQ-RKDXNWHRSA-N 1 2 247.747 1.593 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CSC[C@H]2C)c[nH+]1 ZINC000335813879 355501963 /nfs/dbraw/zinc/50/19/63/355501963.db2.gz YGGVQYOQFUZONT-MUWHJKNJSA-N 1 2 225.317 1.199 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000335813899 355502096 /nfs/dbraw/zinc/50/20/96/355502096.db2.gz BQMJKWWNDUTSLG-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000335813899 355502098 /nfs/dbraw/zinc/50/20/98/355502098.db2.gz BQMJKWWNDUTSLG-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOCC23CCCC3)n1 ZINC000335797693 355454857 /nfs/dbraw/zinc/45/48/57/355454857.db2.gz VWEIONLHIPQBRS-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1ccc(C[N@H+]2CCOCC23CCCC3)n1 ZINC000335797693 355454860 /nfs/dbraw/zinc/45/48/60/355454860.db2.gz VWEIONLHIPQBRS-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](C)C2)c1C ZINC000335814873 355503642 /nfs/dbraw/zinc/50/36/42/355503642.db2.gz SDSQKQJKGNMRLC-JTQLQIEISA-N 1 2 237.347 1.741 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](C)C2)c1C ZINC000335814873 355503643 /nfs/dbraw/zinc/50/36/43/355503643.db2.gz SDSQKQJKGNMRLC-JTQLQIEISA-N 1 2 237.347 1.741 20 0 BDADLO O=C(C[N@H+]1CCc2ccc(O)cc2C1)NC1CC1 ZINC000335815164 355504513 /nfs/dbraw/zinc/50/45/13/355504513.db2.gz PXCRHKJGKNWLPE-UHFFFAOYSA-N 1 2 246.310 1.029 20 0 BDADLO O=C(C[N@@H+]1CCc2ccc(O)cc2C1)NC1CC1 ZINC000335815164 355504515 /nfs/dbraw/zinc/50/45/15/355504515.db2.gz PXCRHKJGKNWLPE-UHFFFAOYSA-N 1 2 246.310 1.029 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1cccnc1 ZINC000335823988 355544977 /nfs/dbraw/zinc/54/49/77/355544977.db2.gz GNRWLWKGVGTQPN-UHFFFAOYSA-N 1 2 227.267 1.388 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N(C)c1nccs1 ZINC000335824944 355548077 /nfs/dbraw/zinc/54/80/77/355548077.db2.gz UFROXHZTZBHSDG-RKDXNWHRSA-N 1 2 239.344 1.589 20 0 BDADLO CCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335830868 355557689 /nfs/dbraw/zinc/55/76/89/355557689.db2.gz ZSRVOZRKWZGYBY-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO Cc1n[nH]cc1C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000335831007 355557817 /nfs/dbraw/zinc/55/78/17/355557817.db2.gz LCIMUKXCJDRJDT-IUCAKERBSA-N 1 2 241.360 1.059 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@H]2C)n1 ZINC000353241365 355516740 /nfs/dbraw/zinc/51/67/40/355516740.db2.gz YZKPFSBRIQTMDJ-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@H]2C)n1 ZINC000353241365 355516742 /nfs/dbraw/zinc/51/67/42/355516742.db2.gz YZKPFSBRIQTMDJ-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO C[NH2+]Cc1noc(CCCOc2ccccc2)n1 ZINC000349904178 355522855 /nfs/dbraw/zinc/52/28/55/355522855.db2.gz BXXGEFVXCVGODY-UHFFFAOYSA-N 1 2 247.298 1.801 20 0 BDADLO C[NH2+]Cc1noc([C@@H](C)COc2ccccc2)n1 ZINC000349913025 355524846 /nfs/dbraw/zinc/52/48/46/355524846.db2.gz QHUPVUKKHCFWED-JTQLQIEISA-N 1 2 247.298 1.972 20 0 BDADLO C[C@H]1C[C@H](CO)CN(c2cc(CO)cc[nH+]2)C1 ZINC000398687425 363452407 /nfs/dbraw/zinc/45/24/07/363452407.db2.gz FQSUPUXZKYKKOM-JQWIXIFHSA-N 1 2 236.315 1.029 20 0 BDADLO O=C(Nc1cccnc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335836654 355564659 /nfs/dbraw/zinc/56/46/59/355564659.db2.gz HWSTXIXTMGDPDT-JTQLQIEISA-N 1 2 242.282 1.863 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccnc1 ZINC000335836751 355564961 /nfs/dbraw/zinc/56/49/61/355564961.db2.gz ZOJXMNJYWKBHEC-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO Cc1noc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC000639304181 355658307 /nfs/dbraw/zinc/65/83/07/355658307.db2.gz ZHMBDHVDEHSJCZ-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1noc(C[N@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC000639304181 355658311 /nfs/dbraw/zinc/65/83/11/355658311.db2.gz ZHMBDHVDEHSJCZ-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCOCC1CC1 ZINC000331855242 181203748 /nfs/dbraw/zinc/20/37/48/181203748.db2.gz MSERZFSVJDXZEW-JTQLQIEISA-N 1 2 244.360 1.366 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1CCOCC1CC1 ZINC000331855242 181203751 /nfs/dbraw/zinc/20/37/51/181203751.db2.gz MSERZFSVJDXZEW-JTQLQIEISA-N 1 2 244.360 1.366 20 0 BDADLO C[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCNC1=O ZINC000335862733 355626071 /nfs/dbraw/zinc/62/60/71/355626071.db2.gz WTZYTISKFLFUEK-SNVBAGLBSA-N 1 2 245.282 1.148 20 0 BDADLO C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCNC1=O ZINC000335862733 355626076 /nfs/dbraw/zinc/62/60/76/355626076.db2.gz WTZYTISKFLFUEK-SNVBAGLBSA-N 1 2 245.282 1.148 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnc2cnccn12 ZINC000331660466 181204954 /nfs/dbraw/zinc/20/49/54/181204954.db2.gz XAELXLBRJSQPRC-SNVBAGLBSA-N 1 2 245.286 1.229 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000331660466 181204957 /nfs/dbraw/zinc/20/49/57/181204957.db2.gz XAELXLBRJSQPRC-SNVBAGLBSA-N 1 2 245.286 1.229 20 0 BDADLO Cn1cc(CCC[N@@H+]2Cc3cnn(C)c3C2)cn1 ZINC000639323200 355715205 /nfs/dbraw/zinc/71/52/05/355715205.db2.gz YNZCSUFAVCMPIJ-UHFFFAOYSA-N 1 2 245.330 1.102 20 0 BDADLO Cn1cc(CCC[N@H+]2Cc3cnn(C)c3C2)cn1 ZINC000639323200 355715207 /nfs/dbraw/zinc/71/52/07/355715207.db2.gz YNZCSUFAVCMPIJ-UHFFFAOYSA-N 1 2 245.330 1.102 20 0 BDADLO COc1cc(C[NH2+]Cc2ccccc2OC)on1 ZINC000639324599 355718969 /nfs/dbraw/zinc/71/89/69/355718969.db2.gz JOCKVLNUCIQKCQ-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]1c1ccccc1 ZINC000583598478 355719027 /nfs/dbraw/zinc/71/90/27/355719027.db2.gz SSFZDTQNQNZLJA-ZDUSSCGKSA-N 1 2 241.294 1.857 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)[C@@H](C)C1 ZINC000335884106 355674113 /nfs/dbraw/zinc/67/41/13/355674113.db2.gz ZUMQXYPSYNIFDW-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(C)n2)[C@@H](C)C1 ZINC000335884106 355674114 /nfs/dbraw/zinc/67/41/14/355674114.db2.gz ZUMQXYPSYNIFDW-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000335884111 355674424 /nfs/dbraw/zinc/67/44/24/355674424.db2.gz NMDYOQKNXKAMOX-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)nc2)[C@H](C)C1=O ZINC000335893428 355687674 /nfs/dbraw/zinc/68/76/74/355687674.db2.gz OYWLJEGTQXITCA-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)nc2)[C@H](C)C1=O ZINC000335893428 355687679 /nfs/dbraw/zinc/68/76/79/355687679.db2.gz OYWLJEGTQXITCA-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC3(CC3)C2)[nH]1 ZINC000335893431 355687807 /nfs/dbraw/zinc/68/78/07/355687807.db2.gz PGRALGNKNZRSKM-UHFFFAOYSA-N 1 2 206.293 1.489 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC3(CC3)C2)[nH]1 ZINC000335893431 355687809 /nfs/dbraw/zinc/68/78/09/355687809.db2.gz PGRALGNKNZRSKM-UHFFFAOYSA-N 1 2 206.293 1.489 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOCC2(C)C)n1 ZINC000350661252 355738896 /nfs/dbraw/zinc/73/88/96/355738896.db2.gz ORIVWAHSZSZAKQ-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nccc(C[N@H+]2CCOCC2(C)C)n1 ZINC000350661252 355738898 /nfs/dbraw/zinc/73/88/98/355738898.db2.gz ORIVWAHSZSZAKQ-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nc(N2C[C@H](O)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000350701783 355744297 /nfs/dbraw/zinc/74/42/97/355744297.db2.gz PGLOYVVPUPSPKM-MWLCHTKSSA-N 1 2 247.342 1.623 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(C)n2)C[C@H](C)O1 ZINC000350703427 355744647 /nfs/dbraw/zinc/74/46/47/355744647.db2.gz WBYJDGPFTFKDTO-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(C)n2)C[C@H](C)O1 ZINC000350703427 355744652 /nfs/dbraw/zinc/74/46/52/355744652.db2.gz WBYJDGPFTFKDTO-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(C)n2)C[C@@H](C)O1 ZINC000350703428 355744876 /nfs/dbraw/zinc/74/48/76/355744876.db2.gz WBYJDGPFTFKDTO-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(C)n2)C[C@@H](C)O1 ZINC000350703428 355744882 /nfs/dbraw/zinc/74/48/82/355744882.db2.gz WBYJDGPFTFKDTO-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CO[C@@](C)(C[N@H+](C)Cc1noc(C)n1)C1CC1 ZINC000639333345 355762685 /nfs/dbraw/zinc/76/26/85/355762685.db2.gz WBFSEPZXPTVBKT-LBPRGKRZSA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@@](C)(C[N@@H+](C)Cc1noc(C)n1)C1CC1 ZINC000639333345 355762687 /nfs/dbraw/zinc/76/26/87/355762687.db2.gz WBFSEPZXPTVBKT-LBPRGKRZSA-N 1 2 239.319 1.625 20 0 BDADLO Nc1nc(Cn2cc[nH+]c2)nc2ccccc12 ZINC000340545173 181209028 /nfs/dbraw/zinc/20/90/28/181209028.db2.gz HCFIYYLLQHUENZ-UHFFFAOYSA-N 1 2 225.255 1.287 20 0 BDADLO COc1cc(C[NH2+]Cc2cc(C)no2)on1 ZINC000639325759 355724905 /nfs/dbraw/zinc/72/49/05/355724905.db2.gz OTDUFZOUJFDEGU-UHFFFAOYSA-N 1 2 223.232 1.269 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2cc(OC)no2)cn1 ZINC000639325416 355727191 /nfs/dbraw/zinc/72/71/91/355727191.db2.gz XMBLZEBVGYUYBM-UHFFFAOYSA-N 1 2 234.259 1.270 20 0 BDADLO COc1cc(CNCc2[nH]c(C)c(C)[nH+]2)on1 ZINC000639326870 355732818 /nfs/dbraw/zinc/73/28/18/355732818.db2.gz WRWDNCNTJCGANC-UHFFFAOYSA-N 1 2 236.275 1.313 20 0 BDADLO Cn1ncnc1C[NH+]1CC(C)(c2ccccc2)C1 ZINC000639339354 355780783 /nfs/dbraw/zinc/78/07/83/355780783.db2.gz RSQCHIMUNDEGLM-UHFFFAOYSA-N 1 2 242.326 1.589 20 0 BDADLO Nc1ccnc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000359991003 181210591 /nfs/dbraw/zinc/21/05/91/181210591.db2.gz CYAAHMKSPAFCIR-LBPRGKRZSA-N 1 2 240.310 1.836 20 0 BDADLO Nc1ccnc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000359991003 181210594 /nfs/dbraw/zinc/21/05/94/181210594.db2.gz CYAAHMKSPAFCIR-LBPRGKRZSA-N 1 2 240.310 1.836 20 0 BDADLO Nc1c(F)cccc1C[NH+]1CC2(C1)CCCO2 ZINC000639347741 355794996 /nfs/dbraw/zinc/79/49/96/355794996.db2.gz PEGIHPDKWSVEIP-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO CCn1ncnc1C[NH+]1CC(c2ccccc2)C1 ZINC000639361927 355816157 /nfs/dbraw/zinc/81/61/57/355816157.db2.gz YYGPJUPOLMZZSX-UHFFFAOYSA-N 1 2 242.326 1.897 20 0 BDADLO Cc1scc(C[NH2+]Cc2cnn[nH]2)c1C ZINC000631179417 355834185 /nfs/dbraw/zinc/83/41/85/355834185.db2.gz CBAANLZWQRHPSQ-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1scc(C[NH2+]Cc2c[nH]nn2)c1C ZINC000631179417 355834189 /nfs/dbraw/zinc/83/41/89/355834189.db2.gz CBAANLZWQRHPSQ-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1scc(C[NH2+]Cc2cn[nH]n2)c1C ZINC000631179417 355834193 /nfs/dbraw/zinc/83/41/93/355834193.db2.gz CBAANLZWQRHPSQ-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000628363549 355848664 /nfs/dbraw/zinc/84/86/64/355848664.db2.gz NWZOSFIRNBYKFF-RYUDHWBXSA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000628363549 355848667 /nfs/dbraw/zinc/84/86/67/355848667.db2.gz NWZOSFIRNBYKFF-RYUDHWBXSA-N 1 2 220.320 1.863 20 0 BDADLO O=C(Nc1ccccc1F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336033288 134059110 /nfs/dbraw/zinc/05/91/10/134059110.db2.gz CMYUZBJFHAISLO-VIFPVBQESA-N 1 2 244.216 1.761 20 0 BDADLO CC1([NH2+]Cc2cccc(O)c2Cl)COC1 ZINC000639380198 355916281 /nfs/dbraw/zinc/91/62/81/355916281.db2.gz BUFXJVHBTQPAQM-UHFFFAOYSA-N 1 2 227.691 1.924 20 0 BDADLO Cc1sccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256235 355937185 /nfs/dbraw/zinc/93/71/85/355937185.db2.gz CPEAPCWGJBCOMZ-VIFPVBQESA-N 1 2 247.323 1.608 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2[nH]ncc2C)C1 ZINC000639383112 355937469 /nfs/dbraw/zinc/93/74/69/355937469.db2.gz QWYGYNJDXWIBNB-UHFFFAOYSA-N 1 2 235.331 1.577 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000628370898 355883985 /nfs/dbraw/zinc/88/39/85/355883985.db2.gz LMHZCZCCNZGBTJ-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000628370898 355883990 /nfs/dbraw/zinc/88/39/90/355883990.db2.gz LMHZCZCCNZGBTJ-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)o1 ZINC000639388302 356005966 /nfs/dbraw/zinc/00/59/66/356005966.db2.gz XCXBSSPDIKLUEM-XPUUQOCRSA-N 1 2 238.209 1.384 20 0 BDADLO CC[C@]1(O)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000639386052 355981747 /nfs/dbraw/zinc/98/17/47/355981747.db2.gz XDNBPNZRVRARRU-LBPRGKRZSA-N 1 2 223.320 1.455 20 0 BDADLO COCCc1nc(C[N@H+](C)CC(C)(C)C)no1 ZINC000351496742 356002312 /nfs/dbraw/zinc/00/23/12/356002312.db2.gz SEXINICOQVOIBO-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO COCCc1nc(C[N@@H+](C)CC(C)(C)C)no1 ZINC000351496742 356002313 /nfs/dbraw/zinc/00/23/13/356002313.db2.gz SEXINICOQVOIBO-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO CC[N@H+](C[C@@H](C)O)[C@H](C)c1noc(C)n1 ZINC000352114801 134070102 /nfs/dbraw/zinc/07/01/02/134070102.db2.gz DBHTXTHGBUWXHF-HTQZYQBOSA-N 1 2 213.281 1.142 20 0 BDADLO CC[N@@H+](C[C@@H](C)O)[C@H](C)c1noc(C)n1 ZINC000352114801 134070103 /nfs/dbraw/zinc/07/01/03/134070103.db2.gz DBHTXTHGBUWXHF-HTQZYQBOSA-N 1 2 213.281 1.142 20 0 BDADLO C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)C[C@@H]1O ZINC000351504882 356004478 /nfs/dbraw/zinc/00/44/78/356004478.db2.gz KZLMTYPAIDLMKH-KOLCDFICSA-N 1 2 248.330 1.116 20 0 BDADLO C[C@@H]1CN(c2cc(NCC3CC3)nc[nH+]2)C[C@@H]1O ZINC000351504882 356004484 /nfs/dbraw/zinc/00/44/84/356004484.db2.gz KZLMTYPAIDLMKH-KOLCDFICSA-N 1 2 248.330 1.116 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000351506009 356004728 /nfs/dbraw/zinc/00/47/28/356004728.db2.gz QWDWHEHKQGDZCN-NOZJJQNGSA-N 1 2 229.283 1.447 20 0 BDADLO C[C@H]1C[N@H+](CCCCO)C[C@H](C(F)(F)F)O1 ZINC000608750359 355972219 /nfs/dbraw/zinc/97/22/19/355972219.db2.gz NWGODEYGPRHDDG-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]1C[N@@H+](CCCCO)C[C@H](C(F)(F)F)O1 ZINC000608750359 355972221 /nfs/dbraw/zinc/97/22/21/355972221.db2.gz NWGODEYGPRHDDG-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)n1 ZINC000351621974 356031953 /nfs/dbraw/zinc/03/19/53/356031953.db2.gz AVLWIUAAWOEMJH-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC(C)(C)[C@H]2C)n1 ZINC000351621974 356031956 /nfs/dbraw/zinc/03/19/56/356031956.db2.gz AVLWIUAAWOEMJH-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000336065933 134070352 /nfs/dbraw/zinc/07/03/52/134070352.db2.gz QUWVCVJIWCMCHN-VHSXEESVSA-N 1 2 220.272 1.175 20 0 BDADLO CC1(C)C[NH+](Cc2cc3c(cn2)OCCO3)C1 ZINC000639393541 356060196 /nfs/dbraw/zinc/06/01/96/356060196.db2.gz MRGZCYYLTCNOAU-UHFFFAOYSA-N 1 2 234.299 1.695 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC(C)(O)CC2)no1 ZINC000351527335 356009503 /nfs/dbraw/zinc/00/95/03/356009503.db2.gz ZQECZECXJGHNLG-MRVPVSSYSA-N 1 2 225.292 1.286 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257210 356023192 /nfs/dbraw/zinc/02/31/92/356023192.db2.gz HHEWHSWPKSUKIO-JTNHKYCSSA-N 1 2 247.342 1.750 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000352115570 134072133 /nfs/dbraw/zinc/07/21/33/134072133.db2.gz MFTZBQNDFLLKKG-YUMQZZPRSA-N 1 2 213.281 1.406 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCCn3nccc32)o1 ZINC000639398846 356117578 /nfs/dbraw/zinc/11/75/78/356117578.db2.gz OYKKQYURCNJIFL-JTQLQIEISA-N 1 2 232.287 1.804 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccns1 ZINC000639398653 356118710 /nfs/dbraw/zinc/11/87/10/356118710.db2.gz YAJPTOBCOWJDCB-MRVPVSSYSA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1ccns1 ZINC000639398653 356118714 /nfs/dbraw/zinc/11/87/14/356118714.db2.gz YAJPTOBCOWJDCB-MRVPVSSYSA-N 1 2 230.358 1.053 20 0 BDADLO CC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623260424 356119850 /nfs/dbraw/zinc/11/98/50/356119850.db2.gz CVVLHUSEOJLBJO-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@@H](C)F)no1 ZINC000351718292 356069351 /nfs/dbraw/zinc/06/93/51/356069351.db2.gz ICLCCMIQQTWMIF-SSDOTTSWSA-N 1 2 201.245 1.558 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@@H](C)F)no1 ZINC000351718292 356069355 /nfs/dbraw/zinc/06/93/55/356069355.db2.gz ICLCCMIQQTWMIF-SSDOTTSWSA-N 1 2 201.245 1.558 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262222 356162262 /nfs/dbraw/zinc/16/22/62/356162262.db2.gz TTYRWAGVQGOTMO-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262645 356171277 /nfs/dbraw/zinc/17/12/77/356171277.db2.gz JXWYTRCCHIZBEH-GMTAPVOTSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262687 356171767 /nfs/dbraw/zinc/17/17/67/356171767.db2.gz LQQJYNLZHSOPHC-GARJFASQSA-N 1 2 235.331 1.606 20 0 BDADLO CC(=O)NC1C[NH+](Cc2sc(C)nc2C)C1 ZINC000336084223 134076129 /nfs/dbraw/zinc/07/61/29/134076129.db2.gz GWWPOYZXWFPEIL-UHFFFAOYSA-N 1 2 239.344 1.080 20 0 BDADLO NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000151290024 181251542 /nfs/dbraw/zinc/25/15/42/181251542.db2.gz XXRWIEXFAGVSRO-UHFFFAOYSA-N 1 2 237.278 1.022 20 0 BDADLO C(c1nc(C2CCC2)no1)[NH+]1CCCC1 ZINC000639443687 356221405 /nfs/dbraw/zinc/22/14/05/356221405.db2.gz RCBPZDXMTLSZTB-UHFFFAOYSA-N 1 2 207.277 1.933 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000639445442 356226191 /nfs/dbraw/zinc/22/61/91/356226191.db2.gz SMFXLMAIHJWRNU-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](CO)C1 ZINC000639445442 356226194 /nfs/dbraw/zinc/22/61/94/356226194.db2.gz SMFXLMAIHJWRNU-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO CCC(CC)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263897 356227979 /nfs/dbraw/zinc/22/79/79/356227979.db2.gz AKYVYQNBFGXPNG-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO CC1(C)C(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1(C)C ZINC000623264120 356229414 /nfs/dbraw/zinc/22/94/14/356229414.db2.gz GMOQFBDTUUJKCS-SECBINFHSA-N 1 2 247.342 1.606 20 0 BDADLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000639474478 356268203 /nfs/dbraw/zinc/26/82/03/356268203.db2.gz UUWASDDMPRFBKG-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000639474478 356268204 /nfs/dbraw/zinc/26/82/04/356268204.db2.gz UUWASDDMPRFBKG-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000639475268 356271563 /nfs/dbraw/zinc/27/15/63/356271563.db2.gz NFHPERHMNKRARM-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639475268 356271568 /nfs/dbraw/zinc/27/15/68/356271568.db2.gz NFHPERHMNKRARM-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]2(C)CCCOC2)c[nH+]1 ZINC000336115017 134088238 /nfs/dbraw/zinc/08/82/38/134088238.db2.gz RWOMCRSKYGHXFQ-LLVKDONJSA-N 1 2 223.276 1.017 20 0 BDADLO CC(=O)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000639457997 356243828 /nfs/dbraw/zinc/24/38/28/356243828.db2.gz QCZNHZCSQORQIH-UHFFFAOYSA-N 1 2 246.310 1.592 20 0 BDADLO CC(=O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000639457997 356243832 /nfs/dbraw/zinc/24/38/32/356243832.db2.gz QCZNHZCSQORQIH-UHFFFAOYSA-N 1 2 246.310 1.592 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639495893 356322346 /nfs/dbraw/zinc/32/23/46/356322346.db2.gz CHLOGQYHSCEBOQ-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639495893 356322348 /nfs/dbraw/zinc/32/23/48/356322348.db2.gz CHLOGQYHSCEBOQ-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265819 356299264 /nfs/dbraw/zinc/29/92/64/356299264.db2.gz LLVCPYOTJWTTSS-NXEZZACHSA-N 1 2 221.304 1.216 20 0 BDADLO COc1ccc([C@H](CO)[N@H+](C)CC(C)=O)cc1 ZINC000639490353 356308130 /nfs/dbraw/zinc/30/81/30/356308130.db2.gz YHEVASLMKOPDGK-ZDUSSCGKSA-N 1 2 237.299 1.249 20 0 BDADLO COc1ccc([C@H](CO)[N@@H+](C)CC(C)=O)cc1 ZINC000639490353 356308132 /nfs/dbraw/zinc/30/81/32/356308132.db2.gz YHEVASLMKOPDGK-ZDUSSCGKSA-N 1 2 237.299 1.249 20 0 BDADLO CC(C)C[C@@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623268905 356350391 /nfs/dbraw/zinc/35/03/91/356350391.db2.gz ZFXUEBGEGJJQPY-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000276377657 181268182 /nfs/dbraw/zinc/26/81/82/181268182.db2.gz PXAGEGIELMAUFH-NSHDSACASA-N 1 2 237.278 1.061 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC000276377657 181268184 /nfs/dbraw/zinc/26/81/84/181268184.db2.gz PXAGEGIELMAUFH-NSHDSACASA-N 1 2 237.278 1.061 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000336132590 134097446 /nfs/dbraw/zinc/09/74/46/134097446.db2.gz VAZZTAIUUKPYNJ-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000336132590 134097447 /nfs/dbraw/zinc/09/74/47/134097447.db2.gz VAZZTAIUUKPYNJ-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000336132592 134097702 /nfs/dbraw/zinc/09/77/02/134097702.db2.gz VAZZTAIUUKPYNJ-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000336132592 134097703 /nfs/dbraw/zinc/09/77/03/134097703.db2.gz VAZZTAIUUKPYNJ-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO CC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000639530142 356379378 /nfs/dbraw/zinc/37/93/78/356379378.db2.gz XKRLMTAHLPFBPC-CYBMUJFWSA-N 1 2 246.310 1.313 20 0 BDADLO CC(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000639530142 356379382 /nfs/dbraw/zinc/37/93/82/356379382.db2.gz XKRLMTAHLPFBPC-CYBMUJFWSA-N 1 2 246.310 1.313 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623276458 356417166 /nfs/dbraw/zinc/41/71/66/356417166.db2.gz BQIIECYBLWJRHH-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO O=C([C@H]1CCSC1)N1CC(n2cc[nH+]c2)C1 ZINC000532399667 356420450 /nfs/dbraw/zinc/42/04/50/356420450.db2.gz YOSZEFNVJRITJO-VIFPVBQESA-N 1 2 237.328 1.020 20 0 BDADLO CC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000639558965 356464352 /nfs/dbraw/zinc/46/43/52/356464352.db2.gz LVBAMPOYLCDOCR-UHFFFAOYSA-N 1 2 204.273 1.635 20 0 BDADLO CC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000639558965 356464357 /nfs/dbraw/zinc/46/43/57/356464357.db2.gz LVBAMPOYLCDOCR-UHFFFAOYSA-N 1 2 204.273 1.635 20 0 BDADLO CC[C@H](O)C[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000420631714 192251900 /nfs/dbraw/zinc/25/19/00/192251900.db2.gz VRUMBQILVBPFNR-VIFPVBQESA-N 1 2 237.278 1.317 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000639556311 356459465 /nfs/dbraw/zinc/45/94/65/356459465.db2.gz NGLUZYOVDXQVDD-NSHDSACASA-N 1 2 248.330 1.451 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000639556311 356459468 /nfs/dbraw/zinc/45/94/68/356459468.db2.gz NGLUZYOVDXQVDD-NSHDSACASA-N 1 2 248.330 1.451 20 0 BDADLO CC[C@@H]1C[N@H+](CC(F)(F)CC)C[C@H]1O ZINC000639556682 356460004 /nfs/dbraw/zinc/46/00/04/356460004.db2.gz XLVGCYKZSGQSSS-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(F)(F)CC)C[C@H]1O ZINC000639556682 356460006 /nfs/dbraw/zinc/46/00/06/356460006.db2.gz XLVGCYKZSGQSSS-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000639554975 356460166 /nfs/dbraw/zinc/46/01/66/356460166.db2.gz MIWLXDBVLBAWSP-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000639554975 356460168 /nfs/dbraw/zinc/46/01/68/356460168.db2.gz MIWLXDBVLBAWSP-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO O=C(NCC1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000336161254 134110917 /nfs/dbraw/zinc/11/09/17/134110917.db2.gz RSCKXEBJOMAPRT-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO COC[C@@H]([NH2+]CC(C)=O)c1ccc(F)c(F)c1 ZINC000639567084 356489601 /nfs/dbraw/zinc/48/96/01/356489601.db2.gz HTAAIFHMQCWPOF-GFCCVEGCSA-N 1 2 243.253 1.831 20 0 BDADLO COC[C@H]([NH2+]CC(C)=O)c1ccc(F)c(F)c1 ZINC000639567085 356489856 /nfs/dbraw/zinc/48/98/56/356489856.db2.gz HTAAIFHMQCWPOF-LBPRGKRZSA-N 1 2 243.253 1.831 20 0 BDADLO O=C1[C@H]([N@@H+]2CCC=C(F)C2)CCN1C1CCC1 ZINC000639559175 356466063 /nfs/dbraw/zinc/46/60/63/356466063.db2.gz PSQHAKBPYFIJCN-GFCCVEGCSA-N 1 2 238.306 1.699 20 0 BDADLO O=C1[C@H]([N@H+]2CCC=C(F)C2)CCN1C1CCC1 ZINC000639559175 356466064 /nfs/dbraw/zinc/46/60/64/356466064.db2.gz PSQHAKBPYFIJCN-GFCCVEGCSA-N 1 2 238.306 1.699 20 0 BDADLO COC[C@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000379397198 356473512 /nfs/dbraw/zinc/47/35/12/356473512.db2.gz DNAKKMZXTPMEGZ-LURJTMIESA-N 1 2 248.124 1.297 20 0 BDADLO Cc1nc(NC[C@@H]2CCc3cccnc32)cc[nH+]1 ZINC000623284446 356474797 /nfs/dbraw/zinc/47/47/97/356474797.db2.gz KLFKWJDSWOFKJQ-LBPRGKRZSA-N 1 2 240.310 1.744 20 0 BDADLO NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000371526793 181283842 /nfs/dbraw/zinc/28/38/42/181283842.db2.gz TUWHJJNWOSCTDA-NSHDSACASA-N 1 2 241.294 1.598 20 0 BDADLO Cc1cc(CNC(=O)N[C@@H](C)CF)cc(C)[nH+]1 ZINC000420850918 192264409 /nfs/dbraw/zinc/26/44/09/192264409.db2.gz VRYYVHCPCAKSNH-JTQLQIEISA-N 1 2 239.294 1.856 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000639582385 356502799 /nfs/dbraw/zinc/50/27/99/356502799.db2.gz ADKYFVATOGNQGD-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO CCC(F)(F)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000639582385 356502802 /nfs/dbraw/zinc/50/28/02/356502802.db2.gz ADKYFVATOGNQGD-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nn(C)cc1Cl ZINC000420909492 192269916 /nfs/dbraw/zinc/26/99/16/192269916.db2.gz YUCNBBAXUPYCDG-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nn(C)cc1Cl ZINC000420909492 192269918 /nfs/dbraw/zinc/26/99/18/192269918.db2.gz YUCNBBAXUPYCDG-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO CC(C)[N@@H+](Cc1nn(C)cc1Cl)C[C@H](C)O ZINC000420905386 192270646 /nfs/dbraw/zinc/27/06/46/192270646.db2.gz CUXLPHIUKLNKIJ-VIFPVBQESA-N 1 2 245.754 1.665 20 0 BDADLO CC(C)[N@H+](Cc1nn(C)cc1Cl)C[C@H](C)O ZINC000420905386 192270649 /nfs/dbraw/zinc/27/06/49/192270649.db2.gz CUXLPHIUKLNKIJ-VIFPVBQESA-N 1 2 245.754 1.665 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCCC12CCC2 ZINC000336182265 134119775 /nfs/dbraw/zinc/11/97/75/134119775.db2.gz UQMJKEIDYBKYGG-UHFFFAOYSA-N 1 2 248.330 1.648 20 0 BDADLO C[C@@H]([N@H+](C)Cc1nn(C)cc1Cl)C(C)(C)O ZINC000420958955 192281313 /nfs/dbraw/zinc/28/13/13/192281313.db2.gz DYRNDPGDYIONOX-MRVPVSSYSA-N 1 2 245.754 1.665 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1nn(C)cc1Cl)C(C)(C)O ZINC000420958955 192281316 /nfs/dbraw/zinc/28/13/16/192281316.db2.gz DYRNDPGDYIONOX-MRVPVSSYSA-N 1 2 245.754 1.665 20 0 BDADLO CO[C@H](c1nc(Cc2c[nH+]cn2C)no1)C1CC1 ZINC000350222600 366264843 /nfs/dbraw/zinc/26/48/43/366264843.db2.gz VTJHVFXONCWIMF-NSHDSACASA-N 1 2 248.286 1.491 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC23CCC3)no1 ZINC000336183430 134120548 /nfs/dbraw/zinc/12/05/48/134120548.db2.gz CRSKOLLPJLKUAT-UHFFFAOYSA-N 1 2 207.277 1.897 20 0 BDADLO Cc1nc(C[N@H+]2CCCC23CCC3)no1 ZINC000336183430 134120549 /nfs/dbraw/zinc/12/05/49/134120549.db2.gz CRSKOLLPJLKUAT-UHFFFAOYSA-N 1 2 207.277 1.897 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](CC)O1 ZINC000420962627 192283119 /nfs/dbraw/zinc/28/31/19/192283119.db2.gz UKIWGCUDAFQKCD-PHIMTYICSA-N 1 2 223.320 1.799 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000639618216 356535087 /nfs/dbraw/zinc/53/50/87/356535087.db2.gz GAXQNARICYHLCT-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000639618216 356535090 /nfs/dbraw/zinc/53/50/90/356535090.db2.gz GAXQNARICYHLCT-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)C[C@@H](C)OC ZINC000420977188 192288675 /nfs/dbraw/zinc/28/86/75/192288675.db2.gz RTEQIQQRCCOMGC-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)C[C@@H](C)OC ZINC000420977188 192288677 /nfs/dbraw/zinc/28/86/77/192288677.db2.gz RTEQIQQRCCOMGC-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000639641107 356549052 /nfs/dbraw/zinc/54/90/52/356549052.db2.gz HLZODIZVJFENFX-RKDXNWHRSA-N 1 2 239.237 1.068 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000639641107 356549055 /nfs/dbraw/zinc/54/90/55/356549055.db2.gz HLZODIZVJFENFX-RKDXNWHRSA-N 1 2 239.237 1.068 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn3ccccc23)[C@H]1C ZINC000179678485 366284859 /nfs/dbraw/zinc/28/48/59/366284859.db2.gz YLACTXRNGCEXDL-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn3ccccc23)[C@H]1C ZINC000179678485 366284863 /nfs/dbraw/zinc/28/48/63/366284863.db2.gz YLACTXRNGCEXDL-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO CC[C@H]([NH2+]CCCC1(O)CCC1)C(=O)OC ZINC000421202613 192313129 /nfs/dbraw/zinc/31/31/29/192313129.db2.gz OYSPNYZLGWUNON-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO CC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000639642392 356555597 /nfs/dbraw/zinc/55/55/97/356555597.db2.gz QUPGFXWFSKNAHS-UHFFFAOYSA-N 1 2 205.257 1.958 20 0 BDADLO CC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000639642392 356555598 /nfs/dbraw/zinc/55/55/98/356555598.db2.gz QUPGFXWFSKNAHS-UHFFFAOYSA-N 1 2 205.257 1.958 20 0 BDADLO C[N@H+](Cc1nc(C2CCC2)no1)C1(CO)CC1 ZINC000639643500 356555999 /nfs/dbraw/zinc/55/59/99/356555999.db2.gz KGTJDLYAPAYCJX-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@@H+](Cc1nc(C2CCC2)no1)C1(CO)CC1 ZINC000639643500 356556003 /nfs/dbraw/zinc/55/60/03/356556003.db2.gz KGTJDLYAPAYCJX-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2F)C[C@H](C)O1 ZINC000336211311 134134897 /nfs/dbraw/zinc/13/48/97/134134897.db2.gz KTMQWZIIKQDQDZ-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2F)C[C@H](C)O1 ZINC000336211311 134134898 /nfs/dbraw/zinc/13/48/98/134134898.db2.gz KTMQWZIIKQDQDZ-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@H](O)CC1 ZINC000639659083 356567349 /nfs/dbraw/zinc/56/73/49/356567349.db2.gz LWZLEWYEWXALKU-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@H](O)CC1 ZINC000639659083 356567353 /nfs/dbraw/zinc/56/73/53/356567353.db2.gz LWZLEWYEWXALKU-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCCCO1 ZINC000336206312 134132059 /nfs/dbraw/zinc/13/20/59/134132059.db2.gz VKBGFUGAQFENLL-LLVKDONJSA-N 1 2 249.314 1.390 20 0 BDADLO CO[C@@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1(C)C ZINC000336209362 134134046 /nfs/dbraw/zinc/13/40/46/134134046.db2.gz WEHFHJWIQSCNDI-NXEZZACHSA-N 1 2 237.303 1.261 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000449907405 202052021 /nfs/dbraw/zinc/05/20/21/202052021.db2.gz NJASXISFUKSUHF-ONGXEEELSA-N 1 2 221.304 1.852 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000449907405 202052022 /nfs/dbraw/zinc/05/20/22/202052022.db2.gz NJASXISFUKSUHF-ONGXEEELSA-N 1 2 221.304 1.852 20 0 BDADLO O=C1CC[N@H+](CCc2cnccn2)C2(CCC2)C1 ZINC000639672243 356588365 /nfs/dbraw/zinc/58/83/65/356588365.db2.gz FXIRUNFVNNWPOF-UHFFFAOYSA-N 1 2 245.326 1.607 20 0 BDADLO O=C1CC[N@@H+](CCc2cnccn2)C2(CCC2)C1 ZINC000639672243 356588368 /nfs/dbraw/zinc/58/83/68/356588368.db2.gz FXIRUNFVNNWPOF-UHFFFAOYSA-N 1 2 245.326 1.607 20 0 BDADLO CCOCCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000085899170 491097622 /nfs/dbraw/zinc/09/76/22/491097622.db2.gz YNYCGCLVZXTTHC-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO CCOCCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000085899170 491097623 /nfs/dbraw/zinc/09/76/23/491097623.db2.gz YNYCGCLVZXTTHC-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1C ZINC000642352143 363513090 /nfs/dbraw/zinc/51/30/90/363513090.db2.gz PBMSCTJXNWIGBD-BBBLOLIVSA-N 1 2 207.277 1.044 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2cccnc2)[C@@H](C)C(=O)N1C ZINC000639686988 356595844 /nfs/dbraw/zinc/59/58/44/356595844.db2.gz AEOXUBWRYRJIMU-WOPDTQHZSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2cccnc2)[C@@H](C)C(=O)N1C ZINC000639686988 356595850 /nfs/dbraw/zinc/59/58/50/356595850.db2.gz AEOXUBWRYRJIMU-WOPDTQHZSA-N 1 2 247.342 1.521 20 0 BDADLO CC1(C)C[C@@H](Nc2cc(CO)cc[nH+]2)CO1 ZINC000630091426 363508506 /nfs/dbraw/zinc/50/85/06/363508506.db2.gz AFXBVKVXFYFHRU-SNVBAGLBSA-N 1 2 222.288 1.553 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639696437 356604676 /nfs/dbraw/zinc/60/46/76/356604676.db2.gz JVPVNSGHGQNQOY-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639696437 356604678 /nfs/dbraw/zinc/60/46/78/356604678.db2.gz JVPVNSGHGQNQOY-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639696437 356604682 /nfs/dbraw/zinc/60/46/82/356604682.db2.gz JVPVNSGHGQNQOY-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639696437 356604684 /nfs/dbraw/zinc/60/46/84/356604684.db2.gz JVPVNSGHGQNQOY-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639696437 356604687 /nfs/dbraw/zinc/60/46/87/356604687.db2.gz JVPVNSGHGQNQOY-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639696437 356604689 /nfs/dbraw/zinc/60/46/89/356604689.db2.gz JVPVNSGHGQNQOY-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639696436 356605103 /nfs/dbraw/zinc/60/51/03/356605103.db2.gz JVPVNSGHGQNQOY-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639696436 356605106 /nfs/dbraw/zinc/60/51/06/356605106.db2.gz JVPVNSGHGQNQOY-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639696436 356605109 /nfs/dbraw/zinc/60/51/09/356605109.db2.gz JVPVNSGHGQNQOY-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639696436 356605113 /nfs/dbraw/zinc/60/51/13/356605113.db2.gz JVPVNSGHGQNQOY-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639696436 356605115 /nfs/dbraw/zinc/60/51/15/356605115.db2.gz JVPVNSGHGQNQOY-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639696436 356605118 /nfs/dbraw/zinc/60/51/18/356605118.db2.gz JVPVNSGHGQNQOY-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO Cc1cc(C)c(CN2CN(C)C(=O)[C@H]2C)c(C)[nH+]1 ZINC000639698286 356606703 /nfs/dbraw/zinc/60/67/03/356606703.db2.gz JKGFULYQSBARKB-GFCCVEGCSA-N 1 2 247.342 1.627 20 0 BDADLO CC[N@H+]1[C@H](C)CN(C[C@H](OC)C2CC2)C[C@@H]1C ZINC000639742145 356630437 /nfs/dbraw/zinc/63/04/37/356630437.db2.gz IXAJHZCROAOSKW-SCRDCRAPSA-N 1 2 240.391 1.826 20 0 BDADLO CC[N@@H+]1[C@H](C)CN(C[C@H](OC)C2CC2)C[C@@H]1C ZINC000639742145 356630442 /nfs/dbraw/zinc/63/04/42/356630442.db2.gz IXAJHZCROAOSKW-SCRDCRAPSA-N 1 2 240.391 1.826 20 0 BDADLO CCc1nocc1C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000613579306 363523036 /nfs/dbraw/zinc/52/30/36/363523036.db2.gz LTTNHETZDYVIDB-JTQLQIEISA-N 1 2 248.286 1.841 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000630093502 363527035 /nfs/dbraw/zinc/52/70/35/363527035.db2.gz MBORDZYMCZTNKH-RYUDHWBXSA-N 1 2 234.299 1.553 20 0 BDADLO CCC[NH+]1CCC(CNc2nncs2)CC1 ZINC000450294813 202122181 /nfs/dbraw/zinc/12/21/81/202122181.db2.gz RSMQKQPVYYWKSQ-UHFFFAOYSA-N 1 2 240.376 1.494 20 0 BDADLO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000450249229 202109199 /nfs/dbraw/zinc/10/91/99/202109199.db2.gz WSSOWEAHEDBQKO-CYBMUJFWSA-N 1 2 246.310 1.339 20 0 BDADLO CC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000450249229 202109201 /nfs/dbraw/zinc/10/92/01/202109201.db2.gz WSSOWEAHEDBQKO-CYBMUJFWSA-N 1 2 246.310 1.339 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1csnn1 ZINC000450263815 202113213 /nfs/dbraw/zinc/11/32/13/202113213.db2.gz CTMRXLPPMFIJFV-YUMQZZPRSA-N 1 2 243.332 1.340 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450263815 202113216 /nfs/dbraw/zinc/11/32/16/202113216.db2.gz CTMRXLPPMFIJFV-YUMQZZPRSA-N 1 2 243.332 1.340 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000450331550 202131961 /nfs/dbraw/zinc/13/19/61/202131961.db2.gz BVMZOMNQDBEVLN-GHMZBOCLSA-N 1 2 239.319 1.676 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000450331550 202131965 /nfs/dbraw/zinc/13/19/65/202131965.db2.gz BVMZOMNQDBEVLN-GHMZBOCLSA-N 1 2 239.319 1.676 20 0 BDADLO CC(C)Oc1ncccc1C[NH2+]Cc1ncc[nH]1 ZINC000049715681 356657078 /nfs/dbraw/zinc/65/70/78/356657078.db2.gz KIGAXTCHAYJKDZ-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC(C)Oc1ncccc1CNCc1[nH]cc[nH+]1 ZINC000049715681 356657080 /nfs/dbraw/zinc/65/70/80/356657080.db2.gz KIGAXTCHAYJKDZ-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO COc1ccccc1CC[N@H+](C)Cc1cnn[nH]1 ZINC000450355737 202143420 /nfs/dbraw/zinc/14/34/20/202143420.db2.gz DONONSYGVAVAOB-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccccc1CC[N@@H+](C)Cc1cnn[nH]1 ZINC000450355737 202143421 /nfs/dbraw/zinc/14/34/21/202143421.db2.gz DONONSYGVAVAOB-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccccc1CC[N@H+](C)Cc1c[nH]nn1 ZINC000450355737 202143423 /nfs/dbraw/zinc/14/34/23/202143423.db2.gz DONONSYGVAVAOB-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccccc1CC[N@@H+](C)Cc1c[nH]nn1 ZINC000450355737 202143424 /nfs/dbraw/zinc/14/34/24/202143424.db2.gz DONONSYGVAVAOB-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccccc1CC[N@H+](C)Cc1cn[nH]n1 ZINC000450355737 202143426 /nfs/dbraw/zinc/14/34/26/202143426.db2.gz DONONSYGVAVAOB-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccccc1CC[N@@H+](C)Cc1cn[nH]n1 ZINC000450355737 202143427 /nfs/dbraw/zinc/14/34/27/202143427.db2.gz DONONSYGVAVAOB-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)COCC)C(=O)OCC ZINC000216604350 134154084 /nfs/dbraw/zinc/15/40/84/134154084.db2.gz ZDYZATNEGHHKCR-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@H]([NH2+]CCc1ccco1)C(=O)OC ZINC000168258381 134161099 /nfs/dbraw/zinc/16/10/99/134161099.db2.gz YVTNOGWJDAYSKZ-JTQLQIEISA-N 1 2 211.261 1.363 20 0 BDADLO Cc1cc(N[C@@H]2CCOC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399410850 356693827 /nfs/dbraw/zinc/69/38/27/356693827.db2.gz ZHYUSVKZQGBPSB-JOYOIKCWSA-N 1 2 231.299 1.521 20 0 BDADLO Cc1cc(N[C@H]2CCOC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399410846 356694429 /nfs/dbraw/zinc/69/44/29/356694429.db2.gz ZHYUSVKZQGBPSB-CABZTGNLSA-N 1 2 231.299 1.521 20 0 BDADLO CC(F)(F)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000378733520 356694649 /nfs/dbraw/zinc/69/46/49/356694649.db2.gz BMWYXQVYOGNEOE-UHFFFAOYSA-N 1 2 228.242 1.530 20 0 BDADLO C[C@H](NCc1[nH+]ccn1C)C(C)(F)F ZINC000389470827 356684457 /nfs/dbraw/zinc/68/44/57/356684457.db2.gz QOKAZUAJDMHTDG-ZETCQYMHSA-N 1 2 203.236 1.553 20 0 BDADLO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070733073 325026943 /nfs/dbraw/zinc/02/69/43/325026943.db2.gz HPGWWGWSGYHFEQ-IUCAKERBSA-N 1 2 241.360 1.708 20 0 BDADLO CCC[C@](C)([NH2+]CCC[C@H](C)O)C(=O)OC ZINC000450421200 202159788 /nfs/dbraw/zinc/15/97/88/202159788.db2.gz SJLVZGVUKZGICM-JQWIXIFHSA-N 1 2 231.336 1.469 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H](COC)C2)no1 ZINC000112987716 356701425 /nfs/dbraw/zinc/70/14/25/356701425.db2.gz HUPVJKFTAJANEV-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H](COC)C2)no1 ZINC000112987716 356701427 /nfs/dbraw/zinc/70/14/27/356701427.db2.gz HUPVJKFTAJANEV-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO c1cn(CCc2nc([C@H]3CCCOC3)no2)c[nH+]1 ZINC000350853039 366350790 /nfs/dbraw/zinc/35/07/90/366350790.db2.gz DBHYKLRHIMYEJB-JTQLQIEISA-N 1 2 248.286 1.403 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)CCO1 ZINC000054172168 363564451 /nfs/dbraw/zinc/56/44/51/363564451.db2.gz ZZKWWGFBWGQVRS-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)CCO1 ZINC000054172168 363564454 /nfs/dbraw/zinc/56/44/54/363564454.db2.gz ZZKWWGFBWGQVRS-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H]1c1cn[nH]c1)NCC1CC1 ZINC000639779258 356725923 /nfs/dbraw/zinc/72/59/23/356725923.db2.gz ZSHUALJCYQZSLS-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H]1c1cn[nH]c1)NCC1CC1 ZINC000639779258 356725927 /nfs/dbraw/zinc/72/59/27/356725927.db2.gz ZSHUALJCYQZSLS-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@@H]2COC)s1 ZINC000354057647 356730082 /nfs/dbraw/zinc/73/00/82/356730082.db2.gz XUEGQPGBSNCBSA-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@@H]2COC)s1 ZINC000354057647 356730084 /nfs/dbraw/zinc/73/00/84/356730084.db2.gz XUEGQPGBSNCBSA-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@H]2COC)s1 ZINC000354057648 356730161 /nfs/dbraw/zinc/73/01/61/356730161.db2.gz XUEGQPGBSNCBSA-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@H]2COC)s1 ZINC000354057648 356730163 /nfs/dbraw/zinc/73/01/63/356730163.db2.gz XUEGQPGBSNCBSA-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO CCc1cc(NCCCCCO)nc[nH+]1 ZINC000228726193 491102388 /nfs/dbraw/zinc/10/23/88/491102388.db2.gz XRSVMHINLUXGFF-UHFFFAOYSA-N 1 2 209.293 1.614 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@H]3C[C@@]3(O)C2)c(C)[nH+]1 ZINC000639794674 356751146 /nfs/dbraw/zinc/75/11/46/356751146.db2.gz BICUMIYDXJSPPO-ZWNOBZJWSA-N 1 2 247.298 1.297 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818097 356797516 /nfs/dbraw/zinc/79/75/16/356797516.db2.gz ZUDQTZUJMISQQZ-VIFPVBQESA-N 1 2 230.262 1.570 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818097 356797521 /nfs/dbraw/zinc/79/75/21/356797521.db2.gz ZUDQTZUJMISQQZ-VIFPVBQESA-N 1 2 230.262 1.570 20 0 BDADLO CCC(=O)CCC[N@H+](CC(=O)OC)C1CC1 ZINC000450477047 202178407 /nfs/dbraw/zinc/17/84/07/202178407.db2.gz ULFTVEFLUZVZDH-UHFFFAOYSA-N 1 2 227.304 1.383 20 0 BDADLO CCC(=O)CCC[N@@H+](CC(=O)OC)C1CC1 ZINC000450477047 202178408 /nfs/dbraw/zinc/17/84/08/202178408.db2.gz ULFTVEFLUZVZDH-UHFFFAOYSA-N 1 2 227.304 1.383 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000639829714 356814252 /nfs/dbraw/zinc/81/42/52/356814252.db2.gz GIAOSAJWBDRZQB-CYBMUJFWSA-N 1 2 221.300 1.800 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000639829714 356814256 /nfs/dbraw/zinc/81/42/56/356814256.db2.gz GIAOSAJWBDRZQB-CYBMUJFWSA-N 1 2 221.300 1.800 20 0 BDADLO CCCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623364205 356816254 /nfs/dbraw/zinc/81/62/54/356816254.db2.gz YSTMRTZEGKTGCS-NSHDSACASA-N 1 2 235.331 1.670 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2ccccn2)CCO1 ZINC000639834110 356821293 /nfs/dbraw/zinc/82/12/93/356821293.db2.gz NUCWBNVQUDFQIF-PWSUYJOCSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2ccccn2)CCO1 ZINC000639834110 356821295 /nfs/dbraw/zinc/82/12/95/356821295.db2.gz NUCWBNVQUDFQIF-PWSUYJOCSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000639836535 356822755 /nfs/dbraw/zinc/82/27/55/356822755.db2.gz IHSRTGSQWPJMRS-CHWSQXEVSA-N 1 2 243.347 1.232 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000639836535 356822756 /nfs/dbraw/zinc/82/27/56/356822756.db2.gz IHSRTGSQWPJMRS-CHWSQXEVSA-N 1 2 243.347 1.232 20 0 BDADLO CO[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000639836852 356823625 /nfs/dbraw/zinc/82/36/25/356823625.db2.gz HOGDJQAWJNJQSN-ZETCQYMHSA-N 1 2 213.199 1.244 20 0 BDADLO CO[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000639836852 356823629 /nfs/dbraw/zinc/82/36/29/356823629.db2.gz HOGDJQAWJNJQSN-ZETCQYMHSA-N 1 2 213.199 1.244 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccnc2C)CCO1 ZINC000639836932 356823651 /nfs/dbraw/zinc/82/36/51/356823651.db2.gz KTKRGCUNCDLRAO-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccnc2C)CCO1 ZINC000639836932 356823657 /nfs/dbraw/zinc/82/36/57/356823657.db2.gz KTKRGCUNCDLRAO-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)nc2C)CCO1 ZINC000639839464 356830663 /nfs/dbraw/zinc/83/06/63/356830663.db2.gz RRWYISKFIWQDBD-CYBMUJFWSA-N 1 2 236.315 1.503 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)nc2C)CCO1 ZINC000639839464 356830664 /nfs/dbraw/zinc/83/06/64/356830664.db2.gz RRWYISKFIWQDBD-CYBMUJFWSA-N 1 2 236.315 1.503 20 0 BDADLO CCCCSCCC(=O)NCc1c[nH+]c[nH]1 ZINC000358590995 356872611 /nfs/dbraw/zinc/87/26/11/356872611.db2.gz LXTSAJKMFRQPOL-UHFFFAOYSA-N 1 2 241.360 1.949 20 0 BDADLO CCCCSCCC(=O)NCc1c[nH]c[nH+]1 ZINC000358590995 356872617 /nfs/dbraw/zinc/87/26/17/356872617.db2.gz LXTSAJKMFRQPOL-UHFFFAOYSA-N 1 2 241.360 1.949 20 0 BDADLO CCCC[C@@H](COC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000358815335 356877850 /nfs/dbraw/zinc/87/78/50/356877850.db2.gz OBRQGPQRCDGNRY-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054344992 363569364 /nfs/dbraw/zinc/56/93/64/363569364.db2.gz PBXQQQSRYQSHML-QOHYJFSASA-N 1 2 201.697 1.992 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054344992 363569367 /nfs/dbraw/zinc/56/93/67/363569367.db2.gz PBXQQQSRYQSHML-QOHYJFSASA-N 1 2 201.697 1.992 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](Cc1cncnc1)CC2 ZINC000351979112 538713059 /nfs/dbraw/zinc/71/30/59/538713059.db2.gz IHTAGBDOQBJIBH-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](Cc1cncnc1)CC2 ZINC000351979112 538713064 /nfs/dbraw/zinc/71/30/64/538713064.db2.gz IHTAGBDOQBJIBH-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CN(C)c1nc(NCCF)[nH+]c2ccccc21 ZINC000450498088 202186677 /nfs/dbraw/zinc/18/66/77/202186677.db2.gz HISJYVZURADXSH-UHFFFAOYSA-N 1 2 234.278 1.499 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)CCc1cscn1 ZINC000450559746 202197812 /nfs/dbraw/zinc/19/78/12/202197812.db2.gz PLOLFUMGFMMGKR-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)CCc1cscn1 ZINC000450559746 202197816 /nfs/dbraw/zinc/19/78/16/202197816.db2.gz PLOLFUMGFMMGKR-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000361245689 356921925 /nfs/dbraw/zinc/92/19/25/356921925.db2.gz QGLGVXSJKXRRMA-MQIPJXDCSA-N 1 2 247.404 1.236 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000361245689 356921929 /nfs/dbraw/zinc/92/19/29/356921929.db2.gz QGLGVXSJKXRRMA-MQIPJXDCSA-N 1 2 247.404 1.236 20 0 BDADLO CCc1nnc(C[N@H+](C(C)C)[C@H]2CCOC2)[nH]1 ZINC000361408064 356929702 /nfs/dbraw/zinc/92/97/02/356929702.db2.gz KNYKQUJMJBPZKG-JTQLQIEISA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@@H+](C(C)C)[C@H]2CCOC2)[nH]1 ZINC000361408064 356929705 /nfs/dbraw/zinc/92/97/05/356929705.db2.gz KNYKQUJMJBPZKG-JTQLQIEISA-N 1 2 238.335 1.366 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC(C)(F)F)[nH+]1 ZINC000450551053 202195429 /nfs/dbraw/zinc/19/54/29/202195429.db2.gz CZVAKPUTKVQTBA-UHFFFAOYSA-N 1 2 245.277 1.125 20 0 BDADLO Cc1nc(NCCC(C)(F)F)nc(N(C)C)[nH+]1 ZINC000450551053 202195433 /nfs/dbraw/zinc/19/54/33/202195433.db2.gz CZVAKPUTKVQTBA-UHFFFAOYSA-N 1 2 245.277 1.125 20 0 BDADLO CCOC1(C)CN(c2cc(C)[nH+]c(CC)n2)C1 ZINC000450581869 202202717 /nfs/dbraw/zinc/20/27/17/202202717.db2.gz QYGPCSYCRMOUPU-UHFFFAOYSA-N 1 2 235.331 1.963 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC(CF)CF ZINC000450596404 202206477 /nfs/dbraw/zinc/20/64/77/202206477.db2.gz XERAOCUNPJVNGC-UHFFFAOYSA-N 1 2 227.218 1.083 20 0 BDADLO F[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000450605296 202209791 /nfs/dbraw/zinc/20/97/91/202209791.db2.gz ZGUDKOVDRJDLBI-JTQLQIEISA-N 1 2 236.294 1.625 20 0 BDADLO F[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000450605296 202209795 /nfs/dbraw/zinc/20/97/95/202209795.db2.gz ZGUDKOVDRJDLBI-JTQLQIEISA-N 1 2 236.294 1.625 20 0 BDADLO CCc1nc(N2CCCN(C)C(=O)C2)cc(C)[nH+]1 ZINC000370666088 357024001 /nfs/dbraw/zinc/02/40/01/357024001.db2.gz SLNVJJVKNJYYPT-UHFFFAOYSA-N 1 2 248.330 1.016 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnccn2)CC2(CCC2)O1 ZINC000582302105 357039931 /nfs/dbraw/zinc/03/99/31/357039931.db2.gz CAEOFQJIGPHFOA-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnccn2)CC2(CCC2)O1 ZINC000582302105 357039934 /nfs/dbraw/zinc/03/99/34/357039934.db2.gz CAEOFQJIGPHFOA-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639873764 357049434 /nfs/dbraw/zinc/04/94/34/357049434.db2.gz VCHSRSWWJKMQNZ-LLVKDONJSA-N 1 2 229.287 1.537 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639873764 357049438 /nfs/dbraw/zinc/04/94/38/357049438.db2.gz VCHSRSWWJKMQNZ-LLVKDONJSA-N 1 2 229.287 1.537 20 0 BDADLO CCCC[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000300947628 357051644 /nfs/dbraw/zinc/05/16/44/357051644.db2.gz OPWFLLNBTQGKSJ-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000355273671 538791519 /nfs/dbraw/zinc/79/15/19/538791519.db2.gz WTMWVVPPVYNNTK-ONGXEEELSA-N 1 2 239.319 1.097 20 0 BDADLO CC[C@H](CCO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582364458 357112064 /nfs/dbraw/zinc/11/20/64/357112064.db2.gz HYNHXZZWIQPRIR-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO CCN1C[C@@H](Nc2[nH+]cccc2OC)CC1=O ZINC000391612771 357132058 /nfs/dbraw/zinc/13/20/58/357132058.db2.gz DQFPMUOUEQSDRK-VIFPVBQESA-N 1 2 235.287 1.123 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000610212844 357281861 /nfs/dbraw/zinc/28/18/61/357281861.db2.gz LMIWKGCJOOTNDT-UHFFFAOYSA-N 1 2 249.310 1.356 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000610212844 357281865 /nfs/dbraw/zinc/28/18/65/357281865.db2.gz LMIWKGCJOOTNDT-UHFFFAOYSA-N 1 2 249.310 1.356 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CSC1(C)C ZINC000393806644 357301020 /nfs/dbraw/zinc/30/10/20/357301020.db2.gz QNKITXSYXZHNCD-ZCFIWIBFSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CSC1(C)C ZINC000393806644 357301022 /nfs/dbraw/zinc/30/10/22/357301022.db2.gz QNKITXSYXZHNCD-ZCFIWIBFSA-N 1 2 240.332 1.373 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000014193870 538839000 /nfs/dbraw/zinc/83/90/00/538839000.db2.gz BJEFQLXLMPOQNP-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nncs1 ZINC000014193870 538839005 /nfs/dbraw/zinc/83/90/05/538839005.db2.gz BJEFQLXLMPOQNP-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO C[C@H](CC(=O)N(C)[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000582789421 357395733 /nfs/dbraw/zinc/39/57/33/357395733.db2.gz YYXBEJHSKZAMAD-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1nc(C[NH2+][C@H](CO)C2CCCCC2)no1 ZINC000395442506 357441740 /nfs/dbraw/zinc/44/17/40/357441740.db2.gz VHCSYJZTRRSHIE-LLVKDONJSA-N 1 2 239.319 1.409 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCO[C@H]1CCCCO1)C2 ZINC000582841948 357413794 /nfs/dbraw/zinc/41/37/94/357413794.db2.gz AFEDQIHVASKZJI-AWEZNQCLSA-N 1 2 248.326 1.940 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCO[C@H]1CCCCO1)C2 ZINC000582841948 357413796 /nfs/dbraw/zinc/41/37/96/357413796.db2.gz AFEDQIHVASKZJI-AWEZNQCLSA-N 1 2 248.326 1.940 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc[nH]1 ZINC000583033081 357464905 /nfs/dbraw/zinc/46/49/05/357464905.db2.gz BXTOTJIRDBAZOU-VIFPVBQESA-N 1 2 232.287 1.233 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc[nH]1 ZINC000583033081 357464912 /nfs/dbraw/zinc/46/49/12/357464912.db2.gz BXTOTJIRDBAZOU-VIFPVBQESA-N 1 2 232.287 1.233 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)OC ZINC000102518542 357477382 /nfs/dbraw/zinc/47/73/82/357477382.db2.gz LXVFZPJKVMFWDM-VIFPVBQESA-N 1 2 211.261 1.663 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)OC ZINC000102518542 357477385 /nfs/dbraw/zinc/47/73/85/357477385.db2.gz LXVFZPJKVMFWDM-VIFPVBQESA-N 1 2 211.261 1.663 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CCNC(=O)CC1 ZINC000396625817 357482262 /nfs/dbraw/zinc/48/22/62/357482262.db2.gz CDNCZDJJGCQPMR-SECBINFHSA-N 1 2 235.287 1.171 20 0 BDADLO CCc1cc(N(C)Cc2nc[nH]n2)nc(C)[nH+]1 ZINC000359723577 538856412 /nfs/dbraw/zinc/85/64/12/538856412.db2.gz CVOMIZYCHCJPOX-UHFFFAOYSA-N 1 2 232.291 1.102 20 0 BDADLO CCc1cc(N(C)Cc2nnc[nH]2)nc(C)[nH+]1 ZINC000359723577 538856415 /nfs/dbraw/zinc/85/64/15/538856415.db2.gz CVOMIZYCHCJPOX-UHFFFAOYSA-N 1 2 232.291 1.102 20 0 BDADLO CCc1cc(N2CC(C)(OC)C2)nc(C)[nH+]1 ZINC000359729778 538856822 /nfs/dbraw/zinc/85/68/22/538856822.db2.gz NVCPXFZVHQBTSL-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO Cc1oncc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000189654896 357655950 /nfs/dbraw/zinc/65/59/50/357655950.db2.gz NWVYYUZVOKTHBR-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1oncc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000189654896 357655955 /nfs/dbraw/zinc/65/59/55/357655955.db2.gz NWVYYUZVOKTHBR-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO CCNC(=O)CC[N@H+](C)Cc1cscn1 ZINC000063591777 357675393 /nfs/dbraw/zinc/67/53/93/357675393.db2.gz AERUCTNKUUSRPC-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCNC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000063591777 357675396 /nfs/dbraw/zinc/67/53/96/357675396.db2.gz AERUCTNKUUSRPC-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000189372918 357635103 /nfs/dbraw/zinc/63/51/03/357635103.db2.gz AJORKCQQBJUQEE-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1ccc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000189372918 357635106 /nfs/dbraw/zinc/63/51/06/357635106.db2.gz AJORKCQQBJUQEE-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OC ZINC000190578811 357716021 /nfs/dbraw/zinc/71/60/21/357716021.db2.gz CNWCHMOVCREJPY-GMXVVIOVSA-N 1 2 243.347 1.875 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263137276 535366432 /nfs/dbraw/zinc/36/64/32/535366432.db2.gz CATXHBABSMWMJW-HTQZYQBOSA-N 1 2 232.274 1.146 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCCC(C)C)[C@@H](C)O ZINC000191016324 357743194 /nfs/dbraw/zinc/74/31/94/357743194.db2.gz MNBGOULKWBTEIW-IJLUTSLNSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CS1 ZINC000397872981 357776017 /nfs/dbraw/zinc/77/60/17/357776017.db2.gz UEVMQIJJLHFDGX-YUMQZZPRSA-N 1 2 249.343 1.669 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191960985 357807259 /nfs/dbraw/zinc/80/72/59/357807259.db2.gz GFMVGXKLHXZZOR-USZNOCQGSA-N 1 2 245.363 1.713 20 0 BDADLO CCC[C@@H](C)C[N@@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192067497 357817195 /nfs/dbraw/zinc/81/71/95/357817195.db2.gz YIZPEOOOMKPPPL-VXGBXAGGSA-N 1 2 247.404 1.789 20 0 BDADLO CCC[C@@H](C)C[N@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192067497 357817196 /nfs/dbraw/zinc/81/71/96/357817196.db2.gz YIZPEOOOMKPPPL-VXGBXAGGSA-N 1 2 247.404 1.789 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000192887803 357857751 /nfs/dbraw/zinc/85/77/51/357857751.db2.gz FUXRUSTVHQBBEY-MWLCHTKSSA-N 1 2 249.314 1.511 20 0 BDADLO Cn1nnc(C[NH2+][C@@H]2CCc3c2cccc3F)n1 ZINC000398100712 357837715 /nfs/dbraw/zinc/83/77/15/357837715.db2.gz WYKOMXQEKXIWFV-LLVKDONJSA-N 1 2 247.277 1.126 20 0 BDADLO COC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000234847198 357838918 /nfs/dbraw/zinc/83/89/18/357838918.db2.gz FXGZVZAQUVGWAY-JTQLQIEISA-N 1 2 239.319 1.328 20 0 BDADLO CCCCn1nnnc1C[N@H+](CC)C1CCC1 ZINC000583290061 357849466 /nfs/dbraw/zinc/84/94/66/357849466.db2.gz FQKHRWFERDLNEZ-UHFFFAOYSA-N 1 2 237.351 1.848 20 0 BDADLO CCCCn1nnnc1C[N@@H+](CC)C1CCC1 ZINC000583290061 357849470 /nfs/dbraw/zinc/84/94/70/357849470.db2.gz FQKHRWFERDLNEZ-UHFFFAOYSA-N 1 2 237.351 1.848 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)[C@@H]1c1ccco1 ZINC000639930476 357908969 /nfs/dbraw/zinc/90/89/69/357908969.db2.gz XIZXYTYAFMQHCN-ZYHUDNBSSA-N 1 2 248.326 1.941 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)[C@@H]1c1ccco1 ZINC000639930476 357908972 /nfs/dbraw/zinc/90/89/72/357908972.db2.gz XIZXYTYAFMQHCN-ZYHUDNBSSA-N 1 2 248.326 1.941 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCc1cccnc1)C1CC1 ZINC000610504234 357957326 /nfs/dbraw/zinc/95/73/26/357957326.db2.gz DVPBKXVIYQAMNX-AWEZNQCLSA-N 1 2 248.326 1.555 20 0 BDADLO COc1ccncc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000584478187 357996100 /nfs/dbraw/zinc/99/61/00/357996100.db2.gz KLEZOFYULLRAAY-JTQLQIEISA-N 1 2 249.314 1.369 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000628457630 358016781 /nfs/dbraw/zinc/01/67/81/358016781.db2.gz GTMVTWMCNFRSRR-LBPRGKRZSA-N 1 2 226.295 1.586 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000628457630 358016785 /nfs/dbraw/zinc/01/67/85/358016785.db2.gz GTMVTWMCNFRSRR-LBPRGKRZSA-N 1 2 226.295 1.586 20 0 BDADLO CC1(C)COCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000064247746 358016838 /nfs/dbraw/zinc/01/68/38/358016838.db2.gz LDUMXFAMMKQLNA-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC1(C)COCC[N@H+]1CC(=O)N1CCCCC1 ZINC000064247746 358016842 /nfs/dbraw/zinc/01/68/42/358016842.db2.gz LDUMXFAMMKQLNA-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000639967225 358021018 /nfs/dbraw/zinc/02/10/18/358021018.db2.gz IHDCSQHGFOSWFO-SNVBAGLBSA-N 1 2 238.335 1.065 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000639967225 358021019 /nfs/dbraw/zinc/02/10/19/358021019.db2.gz IHDCSQHGFOSWFO-SNVBAGLBSA-N 1 2 238.335 1.065 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cn(C)nc1C ZINC000639970175 358022485 /nfs/dbraw/zinc/02/24/85/358022485.db2.gz DHGCZZJWCZDJHI-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cn(C)nc1C ZINC000639970175 358022489 /nfs/dbraw/zinc/02/24/89/358022489.db2.gz DHGCZZJWCZDJHI-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639971495 358030184 /nfs/dbraw/zinc/03/01/84/358030184.db2.gz DUGNRYQJIDVOPO-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639971495 358030187 /nfs/dbraw/zinc/03/01/87/358030187.db2.gz DUGNRYQJIDVOPO-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1nc([C@@H](C)N2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000584537382 358048530 /nfs/dbraw/zinc/04/85/30/358048530.db2.gz CLFLFIJWLQLVEJ-SECBINFHSA-N 1 2 237.351 1.200 20 0 BDADLO Cc1nc([C@@H](C)N2CC[N@@H+](C)C(C)(C)C2)n[nH]1 ZINC000584537382 358048532 /nfs/dbraw/zinc/04/85/32/358048532.db2.gz CLFLFIJWLQLVEJ-SECBINFHSA-N 1 2 237.351 1.200 20 0 BDADLO Cc1cc(NCC2(CO)CCCC2)nc[nH+]1 ZINC000168713212 134246603 /nfs/dbraw/zinc/24/66/03/134246603.db2.gz UOBGKTSBXRJMPN-UHFFFAOYSA-N 1 2 221.304 1.750 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1ccn(C)n1 ZINC000085188106 134248392 /nfs/dbraw/zinc/24/83/92/134248392.db2.gz HLBFLTHQCYNUIZ-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO CC[N@H+](Cc1ncnn1CC(C)C)C1CC1 ZINC000182648388 535394566 /nfs/dbraw/zinc/39/45/66/535394566.db2.gz XZEIJLOVEBQIEN-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CC[N@@H+](Cc1ncnn1CC(C)C)C1CC1 ZINC000182648388 535394572 /nfs/dbraw/zinc/39/45/72/535394572.db2.gz XZEIJLOVEBQIEN-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547322081 325340756 /nfs/dbraw/zinc/34/07/56/325340756.db2.gz XHJJEXWWRXFYSX-LLVKDONJSA-N 1 2 235.331 1.949 20 0 BDADLO CCCc1noc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000170767016 134253775 /nfs/dbraw/zinc/25/37/75/134253775.db2.gz MALRSCZUDPYJSQ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000170767016 134253776 /nfs/dbraw/zinc/25/37/76/134253776.db2.gz MALRSCZUDPYJSQ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@](O)(CC)C2)[nH]1 ZINC000640035499 358126846 /nfs/dbraw/zinc/12/68/46/358126846.db2.gz KGKVOAQMJVNZGC-GFCCVEGCSA-N 1 2 238.335 1.104 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@](O)(CC)C2)[nH]1 ZINC000640035499 358126849 /nfs/dbraw/zinc/12/68/49/358126849.db2.gz KGKVOAQMJVNZGC-GFCCVEGCSA-N 1 2 238.335 1.104 20 0 BDADLO CCc1cc(N2CC[C@](C)(C(=O)OC)C2)nc[nH+]1 ZINC000610737573 358130675 /nfs/dbraw/zinc/13/06/75/358130675.db2.gz YIPQMGQWQYWXKM-ZDUSSCGKSA-N 1 2 249.314 1.428 20 0 BDADLO CCC[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584628119 358115734 /nfs/dbraw/zinc/11/57/34/358115734.db2.gz NMIHBLQSAMVPRR-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccccn2)[nH]1 ZINC000584696641 358153864 /nfs/dbraw/zinc/15/38/64/358153864.db2.gz FIXCMTANQUIVKX-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccccn2)[nH]1 ZINC000584696641 358153869 /nfs/dbraw/zinc/15/38/69/358153869.db2.gz FIXCMTANQUIVKX-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1ccnc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000584788885 358179177 /nfs/dbraw/zinc/17/91/77/358179177.db2.gz PVTULMNFKOCVDC-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccnc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000584788885 358179181 /nfs/dbraw/zinc/17/91/81/358179181.db2.gz PVTULMNFKOCVDC-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO O=S1CC[NH+](CCCc2ccccc2)CC1 ZINC000171697320 134259858 /nfs/dbraw/zinc/25/98/58/134259858.db2.gz QTVSJQOYBUCSKU-UHFFFAOYSA-N 1 2 237.368 1.684 20 0 BDADLO O[C@@H]1CC[N@H+](CC(F)F)[C@H]2CCCC[C@H]12 ZINC000640094490 358185924 /nfs/dbraw/zinc/18/59/24/358185924.db2.gz GKMKJNOQLRDVJY-LPEHRKFASA-N 1 2 219.275 1.877 20 0 BDADLO O[C@@H]1CC[N@@H+](CC(F)F)[C@H]2CCCC[C@H]12 ZINC000640094490 358185929 /nfs/dbraw/zinc/18/59/29/358185929.db2.gz GKMKJNOQLRDVJY-LPEHRKFASA-N 1 2 219.275 1.877 20 0 BDADLO CC[C@H](NC(=O)Cc1cnc(C)o1)c1[nH]cc[nH+]1 ZINC000640122292 358201685 /nfs/dbraw/zinc/20/16/85/358201685.db2.gz OXNOPQNLBDKPLI-JTQLQIEISA-N 1 2 248.286 1.516 20 0 BDADLO CCn1cc[nH+]c1CNc1nc(C)nc(C)c1F ZINC000450675791 202233222 /nfs/dbraw/zinc/23/32/22/202233222.db2.gz DMDAYDCSCZENEN-UHFFFAOYSA-N 1 2 249.293 1.483 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CC(C)(C)O)[nH+]1 ZINC000450700056 202238509 /nfs/dbraw/zinc/23/85/09/202238509.db2.gz ZJUKNYRXXDDROA-QMMMGPOBSA-N 1 2 248.330 1.650 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000450724166 202246613 /nfs/dbraw/zinc/24/66/13/202246613.db2.gz LYVUOPKWRBNDEU-ZJUUUORDSA-N 1 2 235.335 1.126 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000450724166 202246617 /nfs/dbraw/zinc/24/66/17/202246617.db2.gz LYVUOPKWRBNDEU-ZJUUUORDSA-N 1 2 235.335 1.126 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000252682089 366431563 /nfs/dbraw/zinc/43/15/63/366431563.db2.gz JJPKDTGARYUISX-UOKLYIGXSA-N 1 2 249.314 1.662 20 0 BDADLO OCC(F)(F)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000228751489 358385504 /nfs/dbraw/zinc/38/55/04/358385504.db2.gz AUNBJELLVKLTDD-SNVBAGLBSA-N 1 2 237.290 1.145 20 0 BDADLO CC(C)Cc1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000351189259 366442306 /nfs/dbraw/zinc/44/23/06/366442306.db2.gz UAFCSFZTMRLCRU-VIFPVBQESA-N 1 2 225.292 1.271 20 0 BDADLO CC(C)Cc1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000351189259 366442314 /nfs/dbraw/zinc/44/23/14/366442314.db2.gz UAFCSFZTMRLCRU-VIFPVBQESA-N 1 2 225.292 1.271 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569838 358527093 /nfs/dbraw/zinc/52/70/93/358527093.db2.gz HDPSSCBMFMAHFN-MXWKQRLJSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569838 358527096 /nfs/dbraw/zinc/52/70/96/358527096.db2.gz HDPSSCBMFMAHFN-MXWKQRLJSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000175084362 134284580 /nfs/dbraw/zinc/28/45/80/134284580.db2.gz ISBOZUXVXVTFTL-NWDGAFQWSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000175084362 134284581 /nfs/dbraw/zinc/28/45/81/134284581.db2.gz ISBOZUXVXVTFTL-NWDGAFQWSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130122152 358610963 /nfs/dbraw/zinc/61/09/63/358610963.db2.gz NQOKUFUSOINYTO-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000130689534 358639664 /nfs/dbraw/zinc/63/96/64/358639664.db2.gz GEYPZYPOWZXCFE-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000130689534 358639667 /nfs/dbraw/zinc/63/96/67/358639667.db2.gz GEYPZYPOWZXCFE-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO Cc1occc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000049086994 358669636 /nfs/dbraw/zinc/66/96/36/358669636.db2.gz ACGZFJYEDZNOPA-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CS[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049316024 358682212 /nfs/dbraw/zinc/68/22/12/358682212.db2.gz YLWLPADNGUGZED-QMMMGPOBSA-N 1 2 239.344 1.838 20 0 BDADLO CC(C)c1nc(N2CC[C@H](CO)C2)cc[nH+]1 ZINC000131729813 358692137 /nfs/dbraw/zinc/69/21/37/358692137.db2.gz ISEPZLGXOAJDAL-JTQLQIEISA-N 1 2 221.304 1.419 20 0 BDADLO CCc1nc(C[NH2+][C@H](C)C(=O)N(C)C)cs1 ZINC000049591276 358696188 /nfs/dbraw/zinc/69/61/88/358696188.db2.gz SEJURQHNGUJXAG-MRVPVSSYSA-N 1 2 241.360 1.272 20 0 BDADLO C[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000133332373 358750828 /nfs/dbraw/zinc/75/08/28/358750828.db2.gz RMZUIDARNAPFBA-DTWKUNHWSA-N 1 2 231.303 1.964 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000051562731 358755666 /nfs/dbraw/zinc/75/56/66/358755666.db2.gz ZCYJTENTZUVUMU-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000051562731 358755670 /nfs/dbraw/zinc/75/56/70/358755670.db2.gz ZCYJTENTZUVUMU-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000051838891 358765760 /nfs/dbraw/zinc/76/57/60/358765760.db2.gz GYMCJFZSVWTMSY-SECBINFHSA-N 1 2 227.308 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000051838891 358765763 /nfs/dbraw/zinc/76/57/63/358765763.db2.gz GYMCJFZSVWTMSY-SECBINFHSA-N 1 2 227.308 1.081 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000050064160 358711428 /nfs/dbraw/zinc/71/14/28/358711428.db2.gz RXNAYVGHYZDCPO-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000050064160 358711431 /nfs/dbraw/zinc/71/14/31/358711431.db2.gz RXNAYVGHYZDCPO-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)CCCCCNc1cc(C)[nH+]cn1 ZINC000050069561 358712624 /nfs/dbraw/zinc/71/26/24/358712624.db2.gz SUCJDHOFQTWNHE-UHFFFAOYSA-N 1 2 237.303 1.930 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132350985 358718838 /nfs/dbraw/zinc/71/88/38/358718838.db2.gz LFCSZDMNCNIZJR-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO CCOC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000132529966 358727432 /nfs/dbraw/zinc/72/74/32/358727432.db2.gz WSXXLWNGWZYLRV-GRYCIOLGSA-N 1 2 243.347 1.683 20 0 BDADLO CCOC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000132529966 358727433 /nfs/dbraw/zinc/72/74/33/358727433.db2.gz WSXXLWNGWZYLRV-GRYCIOLGSA-N 1 2 243.347 1.683 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n[nH]1 ZINC000135970259 358858509 /nfs/dbraw/zinc/85/85/09/358858509.db2.gz YTXPGWYBBXRUOS-SECBINFHSA-N 1 2 245.286 1.116 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000177157158 134295910 /nfs/dbraw/zinc/29/59/10/134295910.db2.gz WUSBQJJKJSBBBW-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000177157158 134295911 /nfs/dbraw/zinc/29/59/11/134295911.db2.gz WUSBQJJKJSBBBW-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC2(CCCCC2)C1 ZINC000177157158 134295912 /nfs/dbraw/zinc/29/59/12/134295912.db2.gz WUSBQJJKJSBBBW-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000135619525 358846642 /nfs/dbraw/zinc/84/66/42/358846642.db2.gz JDCKKFKTUDGCFG-JTQLQIEISA-N 1 2 247.298 1.549 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000135619525 358846643 /nfs/dbraw/zinc/84/66/43/358846643.db2.gz JDCKKFKTUDGCFG-JTQLQIEISA-N 1 2 247.298 1.549 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135611755 358846906 /nfs/dbraw/zinc/84/69/06/358846906.db2.gz VAFBUMUUZDVGGX-DAFODLJHSA-N 1 2 231.723 1.620 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135611755 358846909 /nfs/dbraw/zinc/84/69/09/358846909.db2.gz VAFBUMUUZDVGGX-DAFODLJHSA-N 1 2 231.723 1.620 20 0 BDADLO CC[C@@H](C)[C@H](NCc1c[nH+]c[nH]1)C(=O)OC ZINC000054764803 358872784 /nfs/dbraw/zinc/87/27/84/358872784.db2.gz ZFFQEICHUVGPRT-SCZZXKLOSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@@H](C)[C@H](NCc1c[nH]c[nH+]1)C(=O)OC ZINC000054764803 358872786 /nfs/dbraw/zinc/87/27/86/358872786.db2.gz ZFFQEICHUVGPRT-SCZZXKLOSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccoc1C ZINC000055057881 358880612 /nfs/dbraw/zinc/88/06/12/358880612.db2.gz IQQNYNRZTQMCNM-LLVKDONJSA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccoc1C ZINC000055057881 358880614 /nfs/dbraw/zinc/88/06/14/358880614.db2.gz IQQNYNRZTQMCNM-LLVKDONJSA-N 1 2 225.288 1.971 20 0 BDADLO Cc1nn(C)c2ncc(C[NH2+]CC(F)F)cc12 ZINC000136574309 358881906 /nfs/dbraw/zinc/88/19/06/358881906.db2.gz PAQFWHHGXUYGFS-UHFFFAOYSA-N 1 2 240.257 1.631 20 0 BDADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000640221212 358892091 /nfs/dbraw/zinc/89/20/91/358892091.db2.gz UUYVUOLTVJMQHX-SNVBAGLBSA-N 1 2 217.276 1.231 20 0 BDADLO C[C@@H](c1noc(C[NH+](C)C)n1)c1nccs1 ZINC000351337799 366509874 /nfs/dbraw/zinc/50/98/74/366509874.db2.gz KNXZUPVBBXZQCX-ZETCQYMHSA-N 1 2 238.316 1.740 20 0 BDADLO CC[C@H](NC(=O)c1ccc(C)n1C)c1[nH]cc[nH+]1 ZINC000140641001 358923788 /nfs/dbraw/zinc/92/37/88/358923788.db2.gz FJODTPOIYAKQEI-JTQLQIEISA-N 1 2 246.314 1.938 20 0 BDADLO CC[C@@H](NC(=O)c1cccnc1)c1[nH]cc[nH+]1 ZINC000140675881 358925137 /nfs/dbraw/zinc/92/51/37/358925137.db2.gz NQDSUCXNYDDSDI-SNVBAGLBSA-N 1 2 230.271 1.686 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC(C)C1)CC2 ZINC000626670046 359024943 /nfs/dbraw/zinc/02/49/43/359024943.db2.gz MHZKSZMCRDPKDH-NSHDSACASA-N 1 2 233.315 1.232 20 0 BDADLO Cn1cc[nH+]c1Cn1ccc(Br)n1 ZINC000306170803 358980257 /nfs/dbraw/zinc/98/02/57/358980257.db2.gz KUDQSZIPKWVXFH-UHFFFAOYSA-N 1 2 241.092 1.427 20 0 BDADLO Nc1nc(NCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000306182359 358999931 /nfs/dbraw/zinc/99/99/31/358999931.db2.gz VYDCYQRCVAJTLK-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO Nc1nc(NCc2ccccc2)[nH+]c(C2CC2)n1 ZINC000306182359 358999933 /nfs/dbraw/zinc/99/99/33/358999933.db2.gz VYDCYQRCVAJTLK-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000070979053 359067438 /nfs/dbraw/zinc/06/74/38/359067438.db2.gz XBGTUIGZPMEIHL-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO COCc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990505 359070025 /nfs/dbraw/zinc/07/00/25/359070025.db2.gz SWWRPLTYUNZNHP-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO O=C(CSc1ccccc1)NCc1[nH]cc[nH+]1 ZINC000070991750 359070245 /nfs/dbraw/zinc/07/02/45/359070245.db2.gz QHJYEOZEHJCBRT-UHFFFAOYSA-N 1 2 247.323 1.818 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC=CCC1 ZINC000072960767 359094404 /nfs/dbraw/zinc/09/44/04/359094404.db2.gz YPIKCBYAJYSTCO-LLVKDONJSA-N 1 2 233.315 1.735 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871955 359106564 /nfs/dbraw/zinc/10/65/64/359106564.db2.gz OHZXUXUWCCNDMN-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871955 359106570 /nfs/dbraw/zinc/10/65/70/359106570.db2.gz OHZXUXUWCCNDMN-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO O=C(Cc1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000074785054 359128791 /nfs/dbraw/zinc/12/87/91/359128791.db2.gz AUVPCDDZSNAFAG-UHFFFAOYSA-N 1 2 241.294 1.468 20 0 BDADLO c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)no1 ZINC000246931400 359195257 /nfs/dbraw/zinc/19/52/57/359195257.db2.gz NGTANGIEQFMOLV-MNOVXSKESA-N 1 2 240.328 1.381 20 0 BDADLO c1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)no1 ZINC000246931400 359195263 /nfs/dbraw/zinc/19/52/63/359195263.db2.gz NGTANGIEQFMOLV-MNOVXSKESA-N 1 2 240.328 1.381 20 0 BDADLO COCC[N@H+](CCCSC)CC(F)F ZINC000075714981 359205824 /nfs/dbraw/zinc/20/58/24/359205824.db2.gz XWJBRSBNWFHIOH-UHFFFAOYSA-N 1 2 227.320 1.953 20 0 BDADLO COCC[N@@H+](CCCSC)CC(F)F ZINC000075714981 359205827 /nfs/dbraw/zinc/20/58/27/359205827.db2.gz XWJBRSBNWFHIOH-UHFFFAOYSA-N 1 2 227.320 1.953 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1cn[nH]c1C ZINC000611564051 359393030 /nfs/dbraw/zinc/39/30/30/359393030.db2.gz RTQIAAMWXILXNP-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1cn[nH]c1C ZINC000611564051 359393033 /nfs/dbraw/zinc/39/30/33/359393033.db2.gz RTQIAAMWXILXNP-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)c1ccncc1)C1CC1 ZINC000611614329 359400865 /nfs/dbraw/zinc/40/08/65/359400865.db2.gz JVHZHKOUXNIQKS-ZWNOBZJWSA-N 1 2 248.326 1.726 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000611795946 359452818 /nfs/dbraw/zinc/45/28/18/359452818.db2.gz WCNDRXQGWVIOHY-MXWKQRLJSA-N 1 2 233.315 1.771 20 0 BDADLO COC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000390638405 359508024 /nfs/dbraw/zinc/50/80/24/359508024.db2.gz MHQHZCWMLDMVPJ-UWVGGRQHSA-N 1 2 231.336 1.446 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC(C)(C)C1)CC2 ZINC000626708136 359516483 /nfs/dbraw/zinc/51/64/83/359516483.db2.gz CPFRPWAXMCWYPD-LLVKDONJSA-N 1 2 247.342 1.622 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000191363187 359563296 /nfs/dbraw/zinc/56/32/96/359563296.db2.gz ZHHHCUGOYVNNSU-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CCO1 ZINC000054172196 359597762 /nfs/dbraw/zinc/59/77/62/359597762.db2.gz TXTLDOFZPLKKFI-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)CCO1 ZINC000054172196 359597766 /nfs/dbraw/zinc/59/77/66/359597766.db2.gz TXTLDOFZPLKKFI-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612034560 359613252 /nfs/dbraw/zinc/61/32/52/359613252.db2.gz OLTMDGJOSVMDBS-SNVBAGLBSA-N 1 2 247.342 1.821 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612034560 359613257 /nfs/dbraw/zinc/61/32/57/359613257.db2.gz OLTMDGJOSVMDBS-SNVBAGLBSA-N 1 2 247.342 1.821 20 0 BDADLO CC1(C)COC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000450861175 202291890 /nfs/dbraw/zinc/29/18/90/202291890.db2.gz YECZGXBRGGHFBQ-ZDUSSCGKSA-N 1 2 243.310 1.889 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612185984 359730589 /nfs/dbraw/zinc/73/05/89/359730589.db2.gz BCSKVLYRFQTEOX-QWRGUYRKSA-N 1 2 247.342 1.773 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612185984 359730591 /nfs/dbraw/zinc/73/05/91/359730591.db2.gz BCSKVLYRFQTEOX-QWRGUYRKSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCOC[C@H]1C ZINC000380173827 359734629 /nfs/dbraw/zinc/73/46/29/359734629.db2.gz MKMLCUSFMNKNOE-PSASIEDQSA-N 1 2 237.303 1.007 20 0 BDADLO Cc1cc(N[C@H](C)Cc2cnn(C)c2)nc[nH+]1 ZINC000450849774 202288681 /nfs/dbraw/zinc/28/86/81/202288681.db2.gz ZIVHTHMGBMZVMA-SNVBAGLBSA-N 1 2 231.303 1.562 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCCC2(CCC2)C1 ZINC000450876401 202295929 /nfs/dbraw/zinc/29/59/29/202295929.db2.gz FYMFINSHIBLCLX-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCCC2(CCC2)C1 ZINC000450876401 202295931 /nfs/dbraw/zinc/29/59/31/202295931.db2.gz FYMFINSHIBLCLX-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000450876401 202295934 /nfs/dbraw/zinc/29/59/34/202295934.db2.gz FYMFINSHIBLCLX-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCCC2(CCC2)C1 ZINC000450876401 202295935 /nfs/dbraw/zinc/29/59/35/202295935.db2.gz FYMFINSHIBLCLX-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000450876401 202295938 /nfs/dbraw/zinc/29/59/38/202295938.db2.gz FYMFINSHIBLCLX-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCCC2(CCC2)C1 ZINC000450876401 202295940 /nfs/dbraw/zinc/29/59/40/202295940.db2.gz FYMFINSHIBLCLX-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO CC[C@H](F)C[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC000450924819 202309909 /nfs/dbraw/zinc/30/99/09/202309909.db2.gz GSRHHIPBMOSMKK-VIFPVBQESA-N 1 2 243.282 1.703 20 0 BDADLO C[C@H]1C[C@H](O)CN(c2cc[nH+]c3ccncc32)C1 ZINC000450947022 202316552 /nfs/dbraw/zinc/31/65/52/202316552.db2.gz XYKRXFNHDFZOJV-QWRGUYRKSA-N 1 2 243.310 1.837 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000578360620 366538731 /nfs/dbraw/zinc/53/87/31/366538731.db2.gz UPPHTCYBPSRHLF-AXFHLTTASA-N 1 2 229.320 1.343 20 0 BDADLO OCCC[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000450957189 202318907 /nfs/dbraw/zinc/31/89/07/202318907.db2.gz TVAYXCDPTGZQPX-LLVKDONJSA-N 1 2 247.342 1.953 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cnns2)C1 ZINC000450975367 202322800 /nfs/dbraw/zinc/32/28/00/202322800.db2.gz ADBXKUFEAXCASM-OCAPTIKFSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cnns2)C1 ZINC000450975367 202322803 /nfs/dbraw/zinc/32/28/03/202322803.db2.gz ADBXKUFEAXCASM-OCAPTIKFSA-N 1 2 213.306 1.147 20 0 BDADLO CCS(=O)(=O)C1CC[NH+](CC=C(C)C)CC1 ZINC000193256092 366560083 /nfs/dbraw/zinc/56/00/83/366560083.db2.gz DMWHCNZPMLUWCK-UHFFFAOYSA-N 1 2 245.388 1.852 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451112661 202354046 /nfs/dbraw/zinc/35/40/46/202354046.db2.gz APOLXJRKPHIQQJ-PWSUYJOCSA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451112661 202354048 /nfs/dbraw/zinc/35/40/48/202354048.db2.gz APOLXJRKPHIQQJ-PWSUYJOCSA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000451161695 202367648 /nfs/dbraw/zinc/36/76/48/202367648.db2.gz ZNNLWFQTCCABLM-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000451161695 202367651 /nfs/dbraw/zinc/36/76/51/202367651.db2.gz ZNNLWFQTCCABLM-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000451159801 202368246 /nfs/dbraw/zinc/36/82/46/202368246.db2.gz RUGKTQCSQUGYHK-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000451159801 202368249 /nfs/dbraw/zinc/36/82/49/202368249.db2.gz RUGKTQCSQUGYHK-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCC1 ZINC000141880836 359875065 /nfs/dbraw/zinc/87/50/65/359875065.db2.gz NMPGOXIYNVOAKM-SNAWJCMRSA-N 1 2 205.261 1.435 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451119835 202357724 /nfs/dbraw/zinc/35/77/24/202357724.db2.gz HXEZGYUUGQHQHG-DGCLKSJQSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451119835 202357728 /nfs/dbraw/zinc/35/77/28/202357728.db2.gz HXEZGYUUGQHQHG-DGCLKSJQSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451119834 202358613 /nfs/dbraw/zinc/35/86/13/202358613.db2.gz HXEZGYUUGQHQHG-AAEUAGOBSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000451119834 202358615 /nfs/dbraw/zinc/35/86/15/202358615.db2.gz HXEZGYUUGQHQHG-AAEUAGOBSA-N 1 2 244.354 1.971 20 0 BDADLO Cc1cc(C[NH2+]Cc2n[nH]cc2C)[nH]n1 ZINC000309142934 491145575 /nfs/dbraw/zinc/14/55/75/491145575.db2.gz HSLXUXWTZQWOEP-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451190898 202372451 /nfs/dbraw/zinc/37/24/51/202372451.db2.gz QRDHWFISJJVJAZ-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451190898 202372454 /nfs/dbraw/zinc/37/24/54/202372454.db2.gz QRDHWFISJJVJAZ-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451187388 202373630 /nfs/dbraw/zinc/37/36/30/202373630.db2.gz NHWOAOCTFKLZIZ-NXEZZACHSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451187388 202373634 /nfs/dbraw/zinc/37/36/34/202373634.db2.gz NHWOAOCTFKLZIZ-NXEZZACHSA-N 1 2 230.327 1.724 20 0 BDADLO COc1cc[nH+]c(CN2CC[C@@H](F)C2)c1OC ZINC000451200470 202380002 /nfs/dbraw/zinc/38/00/02/202380002.db2.gz SUEZFBVAZZOUHZ-SECBINFHSA-N 1 2 240.278 1.643 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@H]1CCO[C@@H]1C)C(C)C ZINC000451219486 202380719 /nfs/dbraw/zinc/38/07/19/202380719.db2.gz UNJOXVROOFCUTF-WOPDTQHZSA-N 1 2 243.347 1.730 20 0 BDADLO Cc1cc(C[NH2+]Cc2[nH]ncc2C)[nH]n1 ZINC000309142934 491145574 /nfs/dbraw/zinc/14/55/74/491145574.db2.gz HSLXUXWTZQWOEP-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO CC[N@H+](CC(=O)N1CCCC[C@@H]1C)C1COC1 ZINC000451288924 202397167 /nfs/dbraw/zinc/39/71/67/202397167.db2.gz USUAINIEWSCPNY-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@@H+](CC(=O)N1CCCC[C@@H]1C)C1COC1 ZINC000451288924 202397170 /nfs/dbraw/zinc/39/71/70/202397170.db2.gz USUAINIEWSCPNY-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000451323427 202404584 /nfs/dbraw/zinc/40/45/84/202404584.db2.gz IDGYVXCTBCVYEX-QMMMGPOBSA-N 1 2 242.348 1.073 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000451323427 202404587 /nfs/dbraw/zinc/40/45/87/202404587.db2.gz IDGYVXCTBCVYEX-QMMMGPOBSA-N 1 2 242.348 1.073 20 0 BDADLO Cc1cncc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000088451565 359954650 /nfs/dbraw/zinc/95/46/50/359954650.db2.gz HJEKMQAJYUBOSR-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](CCO)C(C)C ZINC000088619487 359970336 /nfs/dbraw/zinc/97/03/36/359970336.db2.gz CGCQPQNBKLYDBW-UHFFFAOYSA-N 1 2 240.351 1.137 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](CCO)C(C)C ZINC000088619487 359970339 /nfs/dbraw/zinc/97/03/39/359970339.db2.gz CGCQPQNBKLYDBW-UHFFFAOYSA-N 1 2 240.351 1.137 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccccn1 ZINC000088795702 359979596 /nfs/dbraw/zinc/97/95/96/359979596.db2.gz BZGDBSFMVLXERH-LBPRGKRZSA-N 1 2 234.299 1.465 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccccn1 ZINC000088795702 359979597 /nfs/dbraw/zinc/97/95/97/359979597.db2.gz BZGDBSFMVLXERH-LBPRGKRZSA-N 1 2 234.299 1.465 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612695451 360011543 /nfs/dbraw/zinc/01/15/43/360011543.db2.gz JMAUHRKXKIBFRU-UWVGGRQHSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612695451 360011547 /nfs/dbraw/zinc/01/15/47/360011547.db2.gz JMAUHRKXKIBFRU-UWVGGRQHSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@](CO)([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000169270453 360019651 /nfs/dbraw/zinc/01/96/51/360019651.db2.gz PUMNAJWAVNGKEJ-ZDUSSCGKSA-N 1 2 231.299 1.407 20 0 BDADLO COC(=O)c1ccc(N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000139863988 360024897 /nfs/dbraw/zinc/02/48/97/360024897.db2.gz RRXJLSHYAWJNOQ-SSDOTTSWSA-N 1 2 247.258 1.159 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612744615 360045035 /nfs/dbraw/zinc/04/50/35/360045035.db2.gz BYDPGINWYBTAEH-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612744615 360045037 /nfs/dbraw/zinc/04/50/37/360045037.db2.gz BYDPGINWYBTAEH-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2oc(=O)[nH]c2c1 ZINC000090166283 360060055 /nfs/dbraw/zinc/06/00/55/360060055.db2.gz ZIGAPJJTEGZWTH-UHFFFAOYSA-N 1 2 244.254 1.467 20 0 BDADLO CC[C@H](C)[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000090166167 360060212 /nfs/dbraw/zinc/06/02/12/360060212.db2.gz HKMRIJOEJOYBPX-GXSJLCMTSA-N 1 2 239.319 1.097 20 0 BDADLO c1cn(CCSCc2ccon2)c[nH+]1 ZINC000090201595 360063662 /nfs/dbraw/zinc/06/36/62/360063662.db2.gz IDOPJWRUMITANS-UHFFFAOYSA-N 1 2 209.274 1.805 20 0 BDADLO CC[C@@H](C)[C@H](C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556510 360117562 /nfs/dbraw/zinc/11/75/62/360117562.db2.gz WKECPWRWZKYXOB-BDAKNGLRSA-N 1 2 238.335 1.497 20 0 BDADLO CC[C@@H](C)[C@H](C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556510 360117566 /nfs/dbraw/zinc/11/75/66/360117566.db2.gz WKECPWRWZKYXOB-BDAKNGLRSA-N 1 2 238.335 1.497 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc3cnccn23)CCO1 ZINC000091917360 360136552 /nfs/dbraw/zinc/13/65/52/360136552.db2.gz ARBGSKURQJNBNV-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc3cnccn23)CCO1 ZINC000091917360 360136554 /nfs/dbraw/zinc/13/65/54/360136554.db2.gz ARBGSKURQJNBNV-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000613000818 360258241 /nfs/dbraw/zinc/25/82/41/360258241.db2.gz DCXLAJIJICXVJK-ONGXEEELSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000613000818 360258245 /nfs/dbraw/zinc/25/82/45/360258245.db2.gz DCXLAJIJICXVJK-ONGXEEELSA-N 1 2 247.342 1.819 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094424138 360307294 /nfs/dbraw/zinc/30/72/94/360307294.db2.gz MRSVOPUCXXHUHY-VHSXEESVSA-N 1 2 243.347 1.874 20 0 BDADLO c1coc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000093841464 360283554 /nfs/dbraw/zinc/28/35/54/360283554.db2.gz NNNFIKPNOZANLV-GFCCVEGCSA-N 1 2 233.271 1.576 20 0 BDADLO c1coc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)c1 ZINC000093841464 360283556 /nfs/dbraw/zinc/28/35/56/360283556.db2.gz NNNFIKPNOZANLV-GFCCVEGCSA-N 1 2 233.271 1.576 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613085796 360347862 /nfs/dbraw/zinc/34/78/62/360347862.db2.gz BDUMUERCQMLCEZ-BRPSZJMVSA-N 1 2 218.256 1.194 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCOC(C)(C)C1 ZINC000096593381 360349901 /nfs/dbraw/zinc/34/99/01/360349901.db2.gz RMIPAEZNUMEEIK-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CCOC(C)(C)C1 ZINC000096593381 360349903 /nfs/dbraw/zinc/34/99/03/360349903.db2.gz RMIPAEZNUMEEIK-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO C/C=C/CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000623477824 360431501 /nfs/dbraw/zinc/43/15/01/360431501.db2.gz TXVLBLWZCPJJJS-HMDXOVGESA-N 1 2 222.292 1.147 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCCC23CC3)c[nH+]1 ZINC000633773296 360459892 /nfs/dbraw/zinc/45/98/92/360459892.db2.gz GAEGNYBTJMMYRR-SNVBAGLBSA-N 1 2 219.288 1.781 20 0 BDADLO CC1(C)CC(=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000628681112 360607708 /nfs/dbraw/zinc/60/77/08/360607708.db2.gz WFEVUSHXSMRULM-UHFFFAOYSA-N 1 2 249.314 1.101 20 0 BDADLO CCC(=O)c1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000628694138 360610307 /nfs/dbraw/zinc/61/03/07/360610307.db2.gz KLVKZWOJEVWYTR-UHFFFAOYSA-N 1 2 234.299 1.779 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N(C1CC1)C1CC1 ZINC000628812531 360664885 /nfs/dbraw/zinc/66/48/85/360664885.db2.gz GZVQWVSBVYCIKY-SECBINFHSA-N 1 2 245.326 1.668 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N(C1CC1)C1CC1 ZINC000628812531 360664891 /nfs/dbraw/zinc/66/48/91/360664891.db2.gz GZVQWVSBVYCIKY-SECBINFHSA-N 1 2 245.326 1.668 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(C1CC1)C1CC1 ZINC000628813706 360675407 /nfs/dbraw/zinc/67/54/07/360675407.db2.gz USXDQTAAVJXEAO-SNVBAGLBSA-N 1 2 245.326 1.599 20 0 BDADLO CC(C)CCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912024 360744988 /nfs/dbraw/zinc/74/49/88/360744988.db2.gz AIFOXMPKBWYLGH-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912024 360744992 /nfs/dbraw/zinc/74/49/92/360744992.db2.gz AIFOXMPKBWYLGH-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912135 360745084 /nfs/dbraw/zinc/74/50/84/360745084.db2.gz BMUAPLUECVLYOD-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912135 360745088 /nfs/dbraw/zinc/74/50/88/360745088.db2.gz BMUAPLUECVLYOD-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC1(C(=O)CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000629001500 360791167 /nfs/dbraw/zinc/79/11/67/360791167.db2.gz UEXHAKNGTVOSGM-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO C/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000629031045 360806721 /nfs/dbraw/zinc/80/67/21/360806721.db2.gz LMNDEXIBGOZCCL-HMDXOVGESA-N 1 2 207.277 1.527 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000629034018 360819814 /nfs/dbraw/zinc/81/98/14/360819814.db2.gz ZVMCOAODIWPZEL-PBKGFPTLSA-N 1 2 219.288 1.138 20 0 BDADLO C[C@]1(CNC(=O)CCn2cc[nH+]c2)C[C@H]2C[C@H]2C1 ZINC000629053712 360850172 /nfs/dbraw/zinc/85/01/72/360850172.db2.gz QKHHOUAHDANMKT-IMRBUKKESA-N 1 2 247.342 1.826 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000154761238 360850202 /nfs/dbraw/zinc/85/02/02/360850202.db2.gz JJHGXIMBSKWNLN-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)nc1 ZINC000154761238 360850206 /nfs/dbraw/zinc/85/02/06/360850206.db2.gz JJHGXIMBSKWNLN-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)c[nH+]1 ZINC000629140776 360899306 /nfs/dbraw/zinc/89/93/06/360899306.db2.gz YMYVKYBBTBUROB-MWLCHTKSSA-N 1 2 235.287 1.015 20 0 BDADLO Cc1noc(OCc2ccc(N(C)C)[nH+]c2)n1 ZINC000629154282 360907024 /nfs/dbraw/zinc/90/70/24/360907024.db2.gz PNVDIOXEMAWEPX-UHFFFAOYSA-N 1 2 234.259 1.418 20 0 BDADLO OC[C@H]([NH2+]C1CSC1)c1c(F)cccc1F ZINC000309592459 491152791 /nfs/dbraw/zinc/15/27/91/491152791.db2.gz SRCRGGSCZPOFTL-JTQLQIEISA-N 1 2 245.294 1.703 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CC1(F)F ZINC000421747869 200850724 /nfs/dbraw/zinc/85/07/24/200850724.db2.gz DCTSYNMYQOUSRD-WCBMZHEXSA-N 1 2 243.257 1.433 20 0 BDADLO C[C@@H]1C[C@@H](N2C(=O)[C@H](C)N(C)C2=O)c2[nH+]ccn21 ZINC000629475899 361087447 /nfs/dbraw/zinc/08/74/47/361087447.db2.gz SNQCBKIJLVUWET-HRDYMLBCSA-N 1 2 248.286 1.171 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cccs1 ZINC000169798416 361132149 /nfs/dbraw/zinc/13/21/49/361132149.db2.gz IAZOBWFAUIHRCI-SECBINFHSA-N 1 2 247.323 1.689 20 0 BDADLO CCCC[C@H](COC)Nc1nc(C)[nH+]c(N)n1 ZINC000631123293 361170583 /nfs/dbraw/zinc/17/05/83/361170583.db2.gz QVFQYJVDEIHXJS-SECBINFHSA-N 1 2 239.323 1.210 20 0 BDADLO CCCC[C@H](COC)Nc1nc(N)nc(C)[nH+]1 ZINC000631123293 361170586 /nfs/dbraw/zinc/17/05/86/361170586.db2.gz QVFQYJVDEIHXJS-SECBINFHSA-N 1 2 239.323 1.210 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1cnc(C)o1 ZINC000640378348 361190874 /nfs/dbraw/zinc/19/08/74/361190874.db2.gz AFAQTDADNDUEKQ-UHFFFAOYSA-N 1 2 248.286 1.058 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@H]1F ZINC000424595733 200941890 /nfs/dbraw/zinc/94/18/90/200941890.db2.gz RTVOISNIHRGIDP-KKZNHRDASA-N 1 2 225.267 1.136 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccco1 ZINC000640401125 361196790 /nfs/dbraw/zinc/19/67/90/361196790.db2.gz XEPXKUGYFOUVNU-SNVBAGLBSA-N 1 2 245.282 1.622 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000640483877 361273647 /nfs/dbraw/zinc/27/36/47/361273647.db2.gz QQFSUOAQRGPKCZ-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO Cc1nocc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000640487874 361280535 /nfs/dbraw/zinc/28/05/35/361280535.db2.gz QACOZDFPXHDSTA-UHFFFAOYSA-N 1 2 234.259 1.622 20 0 BDADLO Cc1nocc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000640487874 361280539 /nfs/dbraw/zinc/28/05/39/361280539.db2.gz QACOZDFPXHDSTA-UHFFFAOYSA-N 1 2 234.259 1.622 20 0 BDADLO CSC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579000688 366690927 /nfs/dbraw/zinc/69/09/27/366690927.db2.gz DONZVAHBAKLKPT-IUCAKERBSA-N 1 2 241.360 1.456 20 0 BDADLO CSC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579000688 366690931 /nfs/dbraw/zinc/69/09/31/366690931.db2.gz DONZVAHBAKLKPT-IUCAKERBSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2csnn2)[nH+]c1C ZINC000579006044 366693932 /nfs/dbraw/zinc/69/39/32/366693932.db2.gz KKKBLZZIZLWGAO-QMMMGPOBSA-N 1 2 237.332 1.729 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000066564955 361306220 /nfs/dbraw/zinc/30/62/20/361306220.db2.gz HFLRRPAYGKXDLZ-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000066564955 361306223 /nfs/dbraw/zinc/30/62/23/361306223.db2.gz HFLRRPAYGKXDLZ-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1C1CC1 ZINC000579143504 366724610 /nfs/dbraw/zinc/72/46/10/366724610.db2.gz NKXQIWUAAVINIZ-WCBMZHEXSA-N 1 2 229.287 1.574 20 0 BDADLO C[C@H](CC(=O)N(C)CC1CC1)n1cc[nH+]c1 ZINC000579013629 366696575 /nfs/dbraw/zinc/69/65/75/366696575.db2.gz JVDJJXOKXCMHGW-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000428249398 201003253 /nfs/dbraw/zinc/00/32/53/201003253.db2.gz SSRSYCKBYZCADX-JQWIXIFHSA-N 1 2 248.330 1.009 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000428249398 201003255 /nfs/dbraw/zinc/00/32/55/201003255.db2.gz SSRSYCKBYZCADX-JQWIXIFHSA-N 1 2 248.330 1.009 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000428349312 201010440 /nfs/dbraw/zinc/01/04/40/201010440.db2.gz REUSPVSVLSZASB-TUAOUCFPSA-N 1 2 235.331 1.955 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000428349312 201010442 /nfs/dbraw/zinc/01/04/42/201010442.db2.gz REUSPVSVLSZASB-TUAOUCFPSA-N 1 2 235.331 1.955 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)CC1(C)CC1 ZINC000428358670 201011358 /nfs/dbraw/zinc/01/13/58/201011358.db2.gz HWMQJPHSUJLHTK-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cnccn2)CCO1 ZINC000579204172 366732386 /nfs/dbraw/zinc/73/23/86/366732386.db2.gz PKTRHQUXGMRWQI-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cnccn2)CCO1 ZINC000579204172 366732391 /nfs/dbraw/zinc/73/23/91/366732391.db2.gz PKTRHQUXGMRWQI-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@H]2CO)[nH]1 ZINC000428451492 201018342 /nfs/dbraw/zinc/01/83/42/201018342.db2.gz BWINGZOWOZHOMR-JTQLQIEISA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCC[C@H]2CO)[nH]1 ZINC000428451492 201018344 /nfs/dbraw/zinc/01/83/44/201018344.db2.gz BWINGZOWOZHOMR-JTQLQIEISA-N 1 2 238.335 1.275 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428709428 201035993 /nfs/dbraw/zinc/03/59/93/201035993.db2.gz JYNGWJQSOMATHI-SCZZXKLOSA-N 1 2 233.258 1.527 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428709428 201035997 /nfs/dbraw/zinc/03/59/97/201035997.db2.gz JYNGWJQSOMATHI-SCZZXKLOSA-N 1 2 233.258 1.527 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275371 363768248 /nfs/dbraw/zinc/76/82/48/363768248.db2.gz JAHCLCCDMIZEAK-SNVBAGLBSA-N 1 2 233.271 1.434 20 0 BDADLO CCC[C@]1(CO)CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428950460 201052781 /nfs/dbraw/zinc/05/27/81/201052781.db2.gz FGZRAYZUSMOPQH-LBPRGKRZSA-N 1 2 238.335 1.098 20 0 BDADLO CCC[C@]1(CO)CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428950460 201052784 /nfs/dbraw/zinc/05/27/84/201052784.db2.gz FGZRAYZUSMOPQH-LBPRGKRZSA-N 1 2 238.335 1.098 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@H](C)C1 ZINC000428970261 201056300 /nfs/dbraw/zinc/05/63/00/201056300.db2.gz YEOLTBYAUAZBPB-SCZZXKLOSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@H](C)C1 ZINC000428970261 201056302 /nfs/dbraw/zinc/05/63/02/201056302.db2.gz YEOLTBYAUAZBPB-SCZZXKLOSA-N 1 2 224.308 1.112 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccnn2C)ncn1 ZINC000428986098 201059277 /nfs/dbraw/zinc/05/92/77/201059277.db2.gz YBMWUXDRUTVLIZ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccnn2C)ncn1 ZINC000428986098 201059280 /nfs/dbraw/zinc/05/92/80/201059280.db2.gz YBMWUXDRUTVLIZ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CCC(C)(C)O ZINC000429288328 201092907 /nfs/dbraw/zinc/09/29/07/201092907.db2.gz BOUVKXJGTDVGJR-UHFFFAOYSA-N 1 2 240.351 1.452 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CCC(C)(C)O ZINC000429288328 201092910 /nfs/dbraw/zinc/09/29/10/201092910.db2.gz BOUVKXJGTDVGJR-UHFFFAOYSA-N 1 2 240.351 1.452 20 0 BDADLO CC[C@@](C)(O)C[N@H+](C)Cc1nncn1C(C)C ZINC000429289603 201094105 /nfs/dbraw/zinc/09/41/05/201094105.db2.gz CERVAOATVKNBPD-GFCCVEGCSA-N 1 2 240.351 1.452 20 0 BDADLO CC[C@@](C)(O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429289603 201094107 /nfs/dbraw/zinc/09/41/07/201094107.db2.gz CERVAOATVKNBPD-GFCCVEGCSA-N 1 2 240.351 1.452 20 0 BDADLO CC1(C)CC(CC(=O)NCCn2cc[nH+]c2)C1 ZINC000429838705 201132444 /nfs/dbraw/zinc/13/24/44/201132444.db2.gz HTAOJLGMHDEMBU-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CC1 ZINC000431150114 201158740 /nfs/dbraw/zinc/15/87/40/201158740.db2.gz MZWMHPXZBUMKNT-WDEREUQCSA-N 1 2 219.288 1.188 20 0 BDADLO CC1(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000430254186 201158142 /nfs/dbraw/zinc/15/81/42/201158142.db2.gz GMBSXAHIFUXYBJ-SNVBAGLBSA-N 1 2 248.330 1.440 20 0 BDADLO CC(C)[C@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000433206373 201167838 /nfs/dbraw/zinc/16/78/38/201167838.db2.gz HLWUAVURKOPCBO-LLVKDONJSA-N 1 2 240.351 1.308 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000433206373 201167843 /nfs/dbraw/zinc/16/78/43/201167843.db2.gz HLWUAVURKOPCBO-LLVKDONJSA-N 1 2 240.351 1.308 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H]1CNc2ccnn2C1 ZINC000309967480 491158618 /nfs/dbraw/zinc/15/86/18/491158618.db2.gz OCCBXERNRZVTRI-QMMMGPOBSA-N 1 2 230.262 1.122 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H]1CNc2ccnn2C1 ZINC000309967480 491158619 /nfs/dbraw/zinc/15/86/19/491158619.db2.gz OCCBXERNRZVTRI-QMMMGPOBSA-N 1 2 230.262 1.122 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@H](O)C(C)C)no1 ZINC000433211329 201171337 /nfs/dbraw/zinc/17/13/37/201171337.db2.gz XYZDLSITNZRPHI-VIFPVBQESA-N 1 2 241.335 1.474 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000163498234 361497014 /nfs/dbraw/zinc/49/70/14/361497014.db2.gz OWQHWGCWPNQUCT-WCABBAIRSA-N 1 2 227.304 1.047 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000163498234 361497023 /nfs/dbraw/zinc/49/70/23/361497023.db2.gz OWQHWGCWPNQUCT-WCABBAIRSA-N 1 2 227.304 1.047 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@]2(C)CCOC2)[nH+]1 ZINC000433770359 201194108 /nfs/dbraw/zinc/19/41/08/201194108.db2.gz DRJFRNNDQLOWFF-CYBMUJFWSA-N 1 2 246.314 1.527 20 0 BDADLO CO[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000433773312 201194459 /nfs/dbraw/zinc/19/44/59/201194459.db2.gz HUNVRJMJTDQVDP-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO CO[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000433773312 201194463 /nfs/dbraw/zinc/19/44/63/201194463.db2.gz HUNVRJMJTDQVDP-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000629685244 361607491 /nfs/dbraw/zinc/60/74/91/361607491.db2.gz JOOKXSCSTVRHBH-XYPYZODXSA-N 1 2 245.282 1.242 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000154542088 201282677 /nfs/dbraw/zinc/28/26/77/201282677.db2.gz JNVNDOUWPBCIHP-NXEZZACHSA-N 1 2 231.361 1.813 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCC(F)(F)F ZINC000435786062 201287864 /nfs/dbraw/zinc/28/78/64/201287864.db2.gz RJFLQBMBJJJELR-UHFFFAOYSA-N 1 2 245.208 1.820 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC(=O)[C@@H](C)C2)[nH+]1 ZINC000436322794 201322230 /nfs/dbraw/zinc/32/22/30/201322230.db2.gz DWWLFCAHURWAMB-QMMMGPOBSA-N 1 2 244.298 1.682 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC=C(F)C1 ZINC000613232782 361694715 /nfs/dbraw/zinc/69/47/15/361694715.db2.gz KQGREJJSKUNQAE-VIFPVBQESA-N 1 2 249.289 1.600 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC=C(F)C1 ZINC000613232782 361694717 /nfs/dbraw/zinc/69/47/17/361694717.db2.gz KQGREJJSKUNQAE-VIFPVBQESA-N 1 2 249.289 1.600 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614801008 363980000 /nfs/dbraw/zinc/98/00/00/363980000.db2.gz ZXNYHOQDKHNRBZ-LNFKQOIKSA-N 1 2 233.315 1.438 20 0 BDADLO CC[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409082 364141780 /nfs/dbraw/zinc/14/17/80/364141780.db2.gz BWVOTLYGYFNJSF-MRVPVSSYSA-N 1 2 210.281 1.350 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2[nH]cc[nH+]2)n(C)n1 ZINC000630409474 364142963 /nfs/dbraw/zinc/14/29/63/364142963.db2.gz SKGANYRTNIOEEP-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cn[nH]c1 ZINC000622083160 370699717 /nfs/dbraw/zinc/69/97/17/370699717.db2.gz YYRDKFLFXKMQQR-QMMMGPOBSA-N 1 2 233.275 1.117 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C(C)=O)CC1 ZINC000622083576 370699965 /nfs/dbraw/zinc/69/99/65/370699965.db2.gz HYJNUVFDYUXUOA-SECBINFHSA-N 1 2 249.314 1.449 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CC12CC2 ZINC000622084134 370700821 /nfs/dbraw/zinc/70/08/21/370700821.db2.gz SFTZSVTZCPGLFB-NXEZZACHSA-N 1 2 233.315 1.880 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC000622084304 370701003 /nfs/dbraw/zinc/70/10/03/370701003.db2.gz ULQSNAPIQZWJJD-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1cc[nH]n1 ZINC000622084303 370701461 /nfs/dbraw/zinc/70/14/61/370701461.db2.gz ULQSNAPIQZWJJD-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CCOCCO[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000191950605 219940572 /nfs/dbraw/zinc/94/05/72/219940572.db2.gz LTDWYOHGDWEJIK-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO CCOCCO[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000191950605 219940575 /nfs/dbraw/zinc/94/05/75/219940575.db2.gz LTDWYOHGDWEJIK-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO CC[C@H]([NH2+]CC(F)(F)CO)c1ccncc1 ZINC000453202910 202706715 /nfs/dbraw/zinc/70/67/15/202706715.db2.gz UPCLWCDXKCZSCV-JTQLQIEISA-N 1 2 230.258 1.750 20 0 BDADLO CC1(C)C[N@H+](Cc2ccccn2)CCO1 ZINC000078868104 364454068 /nfs/dbraw/zinc/45/40/68/364454068.db2.gz UFGNPHFLHTZSBK-UHFFFAOYSA-N 1 2 206.289 1.692 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccccn2)CCO1 ZINC000078868104 364454070 /nfs/dbraw/zinc/45/40/70/364454070.db2.gz UFGNPHFLHTZSBK-UHFFFAOYSA-N 1 2 206.289 1.692 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)Cc2ncccc2O)n1 ZINC000579489427 366829215 /nfs/dbraw/zinc/82/92/15/366829215.db2.gz TUANCCWUQOWSRR-QMMMGPOBSA-N 1 2 248.286 1.672 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ncccc2O)n1 ZINC000579489427 366829216 /nfs/dbraw/zinc/82/92/16/366829216.db2.gz TUANCCWUQOWSRR-QMMMGPOBSA-N 1 2 248.286 1.672 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCF ZINC000615102375 364493635 /nfs/dbraw/zinc/49/36/35/364493635.db2.gz HZPZUEJZYBRXEI-NXEZZACHSA-N 1 2 239.294 1.390 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000622237410 370782393 /nfs/dbraw/zinc/78/23/93/370782393.db2.gz ASOHOAHBHJLQMS-HTAVTVPLSA-N 1 2 247.342 1.608 20 0 BDADLO CCOC(C)(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000630838806 364590453 /nfs/dbraw/zinc/59/04/53/364590453.db2.gz AXXNMFDHRBSFEH-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO OCC[C@@H]([NH2+]CC(F)F)c1ccccc1 ZINC000308907853 541368027 /nfs/dbraw/zinc/36/80/27/541368027.db2.gz FCILWIHJLZYRIL-SNVBAGLBSA-N 1 2 215.243 1.965 20 0 BDADLO CCOC(C)(C)C(=O)Nc1c[nH+]ccc1OC ZINC000630867136 364697733 /nfs/dbraw/zinc/69/77/33/364697733.db2.gz QIMJPFVRKVHLPO-UHFFFAOYSA-N 1 2 238.287 1.844 20 0 BDADLO CCOC(C)(C)CNc1nc(C)[nH+]cc1C ZINC000573338156 364803398 /nfs/dbraw/zinc/80/33/98/364803398.db2.gz FIPKRKWULZSDRE-UHFFFAOYSA-N 1 2 223.320 1.742 20 0 BDADLO CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000573457440 364838641 /nfs/dbraw/zinc/83/86/41/364838641.db2.gz VHGGQGLJZOTYCP-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000573457440 364838648 /nfs/dbraw/zinc/83/86/48/364838648.db2.gz VHGGQGLJZOTYCP-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CS[C@@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601586220 541384170 /nfs/dbraw/zinc/38/41/70/541384170.db2.gz ANVKPGNEMKAZNE-QMMMGPOBSA-N 1 2 242.348 1.303 20 0 BDADLO C[C@]1(NC(=O)Cn2cc[nH+]c2)CC=CCC1 ZINC000573683596 364891926 /nfs/dbraw/zinc/89/19/26/364891926.db2.gz VNGCIUSGNFBPKD-LBPRGKRZSA-N 1 2 219.288 1.498 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccncc2)[nH+]1 ZINC000573809842 364921383 /nfs/dbraw/zinc/92/13/83/364921383.db2.gz QEBAKUGWKGTJKC-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247286228 541419109 /nfs/dbraw/zinc/41/91/09/541419109.db2.gz KNWIOIRRYJATHD-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247286228 541419112 /nfs/dbraw/zinc/41/91/12/541419112.db2.gz KNWIOIRRYJATHD-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000573895530 364940384 /nfs/dbraw/zinc/94/03/84/364940384.db2.gz UIGJDRYLDRWRMW-AEJSXWLSSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000573895530 364940388 /nfs/dbraw/zinc/94/03/88/364940388.db2.gz UIGJDRYLDRWRMW-AEJSXWLSSA-N 1 2 215.293 1.047 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CC(C)(C)C1 ZINC000336015523 541424455 /nfs/dbraw/zinc/42/44/55/541424455.db2.gz XWFZSRYLIFFHBF-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO c1nc(C[N@@H+]2CCCOCC2)oc1C1CC1 ZINC000336132880 541425595 /nfs/dbraw/zinc/42/55/95/541425595.db2.gz MHWJTPCBLJILBZ-UHFFFAOYSA-N 1 2 222.288 1.774 20 0 BDADLO c1nc(C[N@H+]2CCCOCC2)oc1C1CC1 ZINC000336132880 541425599 /nfs/dbraw/zinc/42/55/99/541425599.db2.gz MHWJTPCBLJILBZ-UHFFFAOYSA-N 1 2 222.288 1.774 20 0 BDADLO Cn1c(N2CCCOCC2)[nH+]c2cccc(F)c21 ZINC000336233216 541427023 /nfs/dbraw/zinc/42/70/23/541427023.db2.gz CHSHBSKRBLAOCR-UHFFFAOYSA-N 1 2 249.289 1.939 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000574254922 365020368 /nfs/dbraw/zinc/02/03/68/365020368.db2.gz VBUGMHORCLBVKD-IAZYJMLFSA-N 1 2 231.299 1.732 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCCC1 ZINC000574288799 365030945 /nfs/dbraw/zinc/03/09/45/365030945.db2.gz UMRYOFJBXXMJKB-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCCC1 ZINC000574288799 365030948 /nfs/dbraw/zinc/03/09/48/365030948.db2.gz UMRYOFJBXXMJKB-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccncn2)[nH+]1 ZINC000574763184 365138763 /nfs/dbraw/zinc/13/87/63/365138763.db2.gz MKUHKVJENIRIGS-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc[nH]1)C1CC1 ZINC000574745030 365132394 /nfs/dbraw/zinc/13/23/94/365132394.db2.gz SDLJJEQGFLHBEV-SNVBAGLBSA-N 1 2 245.286 1.024 20 0 BDADLO Cc1cc(NC[C@@H](O)C2CCC2)nc(C2CC2)[nH+]1 ZINC000574841766 365157364 /nfs/dbraw/zinc/15/73/64/365157364.db2.gz OMSNCKGTHAWCDY-GFCCVEGCSA-N 1 2 247.342 1.657 20 0 BDADLO CC[C@]1(C)C[N@@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000442887398 193000696 /nfs/dbraw/zinc/00/06/96/193000696.db2.gz WISYJDDTLJQAOL-WCQYABFASA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@]1(C)C[N@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000442887398 193000699 /nfs/dbraw/zinc/00/06/99/193000699.db2.gz WISYJDDTLJQAOL-WCQYABFASA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cnc(C)cn2)CCO1 ZINC000442889172 193001252 /nfs/dbraw/zinc/00/12/52/193001252.db2.gz CWKNPQXMWVZCGR-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cnc(C)cn2)CCO1 ZINC000442889172 193001254 /nfs/dbraw/zinc/00/12/54/193001254.db2.gz CWKNPQXMWVZCGR-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@@H](F)C2)n1 ZINC000574763233 365139603 /nfs/dbraw/zinc/13/96/03/365139603.db2.gz NXWDFZULAMOJGJ-SECBINFHSA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@@H](F)C2)n1 ZINC000574763233 365139607 /nfs/dbraw/zinc/13/96/07/365139607.db2.gz NXWDFZULAMOJGJ-SECBINFHSA-N 1 2 225.267 1.419 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000443066847 193013001 /nfs/dbraw/zinc/01/30/01/193013001.db2.gz IHENLGFDFLRZBN-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cn1 ZINC000443066847 193013002 /nfs/dbraw/zinc/01/30/02/193013002.db2.gz IHENLGFDFLRZBN-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO COCCOC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000444080940 193034199 /nfs/dbraw/zinc/03/41/99/193034199.db2.gz JQFJJCKVHNTYPR-UHFFFAOYSA-N 1 2 249.314 1.206 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)c1nccs1 ZINC000554560558 325727726 /nfs/dbraw/zinc/72/77/26/325727726.db2.gz ZWLFRQYSSYDETA-UHFFFAOYSA-N 1 2 236.300 1.462 20 0 BDADLO O=C(NCc1ccoc1)c1ccc2[nH+]ccn2c1 ZINC000068420675 370803548 /nfs/dbraw/zinc/80/35/48/370803548.db2.gz NFVNLRHOBZXLQV-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO 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CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1noc(CC)n1 ZINC000579843401 367045277 /nfs/dbraw/zinc/04/52/77/367045277.db2.gz FSKISYVOZCSJHK-NXEZZACHSA-N 1 2 241.335 1.519 20 0 BDADLO Cc1ncccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000579976817 367112809 /nfs/dbraw/zinc/11/28/09/367112809.db2.gz PVMOOBPVLSJDBV-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCc1ccncc1)C1CC1 ZINC000580008525 367121156 /nfs/dbraw/zinc/12/11/56/367121156.db2.gz OWTYDVWIKHPSAR-AWEZNQCLSA-N 1 2 248.326 1.555 20 0 BDADLO COc1cc2c(cc1CNc1c[nH]c[nH+]1)OCO2 ZINC000580016516 367126630 /nfs/dbraw/zinc/12/66/30/367126630.db2.gz OCNQBSJBOXOWRQ-UHFFFAOYSA-N 1 2 247.254 1.759 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1ccc(O)c(F)c1 ZINC000580020372 367127990 /nfs/dbraw/zinc/12/79/90/367127990.db2.gz DCDDLGYNIMEFMI-UHFFFAOYSA-N 1 2 249.245 1.044 20 0 BDADLO OCCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC000579925009 367083350 /nfs/dbraw/zinc/08/33/50/367083350.db2.gz OGBPWSZTEYOGER-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC(C)(C)CC ZINC000622294003 370827533 /nfs/dbraw/zinc/82/75/33/370827533.db2.gz FEQJSKWRSFXDES-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NC(C)(C)CC ZINC000622294003 370827539 /nfs/dbraw/zinc/82/75/39/370827539.db2.gz FEQJSKWRSFXDES-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000580896886 367202040 /nfs/dbraw/zinc/20/20/40/367202040.db2.gz TURCXPIWHCVLBT-MXWKQRLJSA-N 1 2 221.304 1.606 20 0 BDADLO CC[C@H](C)[C@@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000580934524 367209180 /nfs/dbraw/zinc/20/91/80/367209180.db2.gz DZWUYCDXLDHRAT-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO O=C([C@@H]1C[C@H]1C1CCC1)N1CCn2c[nH+]cc2C1 ZINC000581016273 367237504 /nfs/dbraw/zinc/23/75/04/367237504.db2.gz YTUXRVLGXIHWGP-QWHCGFSZSA-N 1 2 245.326 1.662 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000581064140 367249807 /nfs/dbraw/zinc/24/98/07/367249807.db2.gz CFZIVAUVPBFDMT-GXSJLCMTSA-N 1 2 234.303 1.207 20 0 BDADLO 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Cc1nc(C[NH2+]CC(=O)NC(C)(C)C)[nH]c1C ZINC000581499561 367527786 /nfs/dbraw/zinc/52/77/86/367527786.db2.gz KKLRQNLYTMARGG-UHFFFAOYSA-N 1 2 238.335 1.031 20 0 BDADLO Cc1[nH]c(CNCC(=O)NC(C)(C)C)[nH+]c1C ZINC000581499561 367527790 /nfs/dbraw/zinc/52/77/90/367527790.db2.gz KKLRQNLYTMARGG-UHFFFAOYSA-N 1 2 238.335 1.031 20 0 BDADLO C[C@@H]1CSC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000382438381 367523559 /nfs/dbraw/zinc/52/35/59/367523559.db2.gz QTMWZBADBOMJOZ-RITPCOANSA-N 1 2 244.751 1.876 20 0 BDADLO C[C@@H]1CSC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000382438381 367523567 /nfs/dbraw/zinc/52/35/67/367523567.db2.gz QTMWZBADBOMJOZ-RITPCOANSA-N 1 2 244.751 1.876 20 0 BDADLO CCOC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581617648 367638145 /nfs/dbraw/zinc/63/81/45/367638145.db2.gz YGJMKLHDFNAVLH-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO CCOC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581617648 367638149 /nfs/dbraw/zinc/63/81/49/367638149.db2.gz YGJMKLHDFNAVLH-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO 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368593476 /nfs/dbraw/zinc/59/34/76/368593476.db2.gz YLVHLMOXTGMNBJ-UHFFFAOYSA-N 1 2 245.282 1.825 20 0 BDADLO Cc1nc(N(C)CCC(C)(C)C)nc(N)[nH+]1 ZINC000399820453 368603895 /nfs/dbraw/zinc/60/38/95/368603895.db2.gz VNSCUEUVZMVFOV-UHFFFAOYSA-N 1 2 223.324 1.465 20 0 BDADLO Cc1nc(N)nc(N(C)CCC(C)(C)C)[nH+]1 ZINC000399820453 368603905 /nfs/dbraw/zinc/60/39/05/368603905.db2.gz VNSCUEUVZMVFOV-UHFFFAOYSA-N 1 2 223.324 1.465 20 0 BDADLO CCCc1nc(C[N@H+](CCO)CC2CC2)no1 ZINC000064515995 368606779 /nfs/dbraw/zinc/60/67/79/368606779.db2.gz HPVOIVQYKPWSPF-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CCCc1nc(C[N@@H+](CCO)CC2CC2)no1 ZINC000064515995 368606783 /nfs/dbraw/zinc/60/67/83/368606783.db2.gz HPVOIVQYKPWSPF-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000064515943 368607257 /nfs/dbraw/zinc/60/72/57/368607257.db2.gz DBLWLNWDIZOWHM-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000064515943 368607260 /nfs/dbraw/zinc/60/72/60/368607260.db2.gz DBLWLNWDIZOWHM-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000066560455 368652788 /nfs/dbraw/zinc/65/27/88/368652788.db2.gz FCBLIYZYNUZQDG-LLVKDONJSA-N 1 2 238.718 1.790 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000066560455 368652794 /nfs/dbraw/zinc/65/27/94/368652794.db2.gz FCBLIYZYNUZQDG-LLVKDONJSA-N 1 2 238.718 1.790 20 0 BDADLO CN(C)C(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000067948770 368707162 /nfs/dbraw/zinc/70/71/62/368707162.db2.gz BVCGRROUIJYCQI-UHFFFAOYSA-N 1 2 233.315 1.386 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000622451299 370926861 /nfs/dbraw/zinc/92/68/61/370926861.db2.gz BQQLEJNLMAWJDQ-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1(C2CC2)CC1 ZINC000622440123 370919887 /nfs/dbraw/zinc/91/98/87/370919887.db2.gz YYBZKBGHLUURGR-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1ccccc1F ZINC000069251395 368750342 /nfs/dbraw/zinc/75/03/42/368750342.db2.gz CRHCBTGLQUDZMM-JTQLQIEISA-N 1 2 239.290 1.862 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1F ZINC000069251395 368750347 /nfs/dbraw/zinc/75/03/47/368750347.db2.gz CRHCBTGLQUDZMM-JTQLQIEISA-N 1 2 239.290 1.862 20 0 BDADLO CC1(C)CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000072828145 368781214 /nfs/dbraw/zinc/78/12/14/368781214.db2.gz KNNMRHDAMWEZPV-UHFFFAOYSA-N 1 2 239.344 1.814 20 0 BDADLO CC1(C)CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000072828145 368781215 /nfs/dbraw/zinc/78/12/15/368781215.db2.gz KNNMRHDAMWEZPV-UHFFFAOYSA-N 1 2 239.344 1.814 20 0 BDADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)C(C)(C)C ZINC000112429758 368872314 /nfs/dbraw/zinc/87/23/14/368872314.db2.gz ZZQZCCDELDEYLK-SNVBAGLBSA-N 1 2 238.335 1.617 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cn[nH]c1 ZINC000619612343 368882568 /nfs/dbraw/zinc/88/25/68/368882568.db2.gz AHJNSTQOCXOSBL-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cn[nH]c1 ZINC000619612343 368882571 /nfs/dbraw/zinc/88/25/71/368882571.db2.gz AHJNSTQOCXOSBL-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)n1ccc(CNCc2[nH+]ccn2C)n1 ZINC000084225536 368851846 /nfs/dbraw/zinc/85/18/46/368851846.db2.gz WVOXVLCZXGMFPP-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO CC(C)CC[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000623646618 368968980 /nfs/dbraw/zinc/96/89/80/368968980.db2.gz KPBLXIZFGCTRCG-LLVKDONJSA-N 1 2 211.309 1.296 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(C)(C)C ZINC000616111046 368957890 /nfs/dbraw/zinc/95/78/90/368957890.db2.gz AILJKOOZUOTNBE-GMTAPVOTSA-N 1 2 243.347 1.731 20 0 BDADLO CCO[C@@H](CC)C(=O)NCCCn1cc[nH+]c1 ZINC000057182975 368996814 /nfs/dbraw/zinc/99/68/14/368996814.db2.gz ZDIPVWCZBNZCKE-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000616164918 368999288 /nfs/dbraw/zinc/99/92/88/368999288.db2.gz KSWXUAUICXOZCX-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000616164918 368999293 /nfs/dbraw/zinc/99/92/93/368999293.db2.gz KSWXUAUICXOZCX-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO Cn1c[nH+]cc1CNc1cnn(CCF)c1 ZINC000623659207 369030736 /nfs/dbraw/zinc/03/07/36/369030736.db2.gz SEBNSJJVTVJRRY-UHFFFAOYSA-N 1 2 223.255 1.198 20 0 BDADLO CC(C)(NC(=O)CCc1c[nH+]c[nH]1)C(F)(F)F ZINC000616202878 369043413 /nfs/dbraw/zinc/04/34/13/369043413.db2.gz KGVBEYWATVJZJO-UHFFFAOYSA-N 1 2 249.236 1.799 20 0 BDADLO CC(C)(NC(=O)CCc1c[nH]c[nH+]1)C(F)(F)F ZINC000616202878 369043416 /nfs/dbraw/zinc/04/34/16/369043416.db2.gz KGVBEYWATVJZJO-UHFFFAOYSA-N 1 2 249.236 1.799 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000457524264 203073019 /nfs/dbraw/zinc/07/30/19/203073019.db2.gz LHZOTFPCMATGNK-VIFPVBQESA-N 1 2 221.304 1.473 20 0 BDADLO CCCSCC(=O)NCCn1cc[nH+]c1 ZINC000054777093 369098213 /nfs/dbraw/zinc/09/82/13/369098213.db2.gz PBBVSTHMWZELHZ-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO Cc1nc(N2CCC[C@H](CCO)C2)cc[nH+]1 ZINC000054937177 369115791 /nfs/dbraw/zinc/11/57/91/369115791.db2.gz AAJDZEJRZDIZOP-LLVKDONJSA-N 1 2 221.304 1.384 20 0 BDADLO CC(C)CC1(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000457857497 203112898 /nfs/dbraw/zinc/11/28/98/203112898.db2.gz MJWPEBFYRBJHPJ-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)CCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000457857039 203113542 /nfs/dbraw/zinc/11/35/42/203113542.db2.gz DGIGOOUDPWJDOK-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CCn1ncc(C)c1NC(=O)Cn1cc[nH+]c1 ZINC000618434507 369144559 /nfs/dbraw/zinc/14/45/59/369144559.db2.gz GBVOYGICDKIIAO-UHFFFAOYSA-N 1 2 233.275 1.047 20 0 BDADLO C[C@H]1CC=C(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000457866614 203115370 /nfs/dbraw/zinc/11/53/70/203115370.db2.gz IGNZONAHLZNEJJ-NSHDSACASA-N 1 2 247.342 1.825 20 0 BDADLO Cc1cccc(C(=O)NCCc2cn(C)c[nH+]2)n1 ZINC000457893906 203118800 /nfs/dbraw/zinc/11/88/00/203118800.db2.gz ZJZZIOYAJIHFSV-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCOCC1CCCC1 ZINC000459325630 203259248 /nfs/dbraw/zinc/25/92/48/203259248.db2.gz MPHMJWBXBKIYFW-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCOCC1CCCC1 ZINC000459325630 203259250 /nfs/dbraw/zinc/25/92/50/203259250.db2.gz MPHMJWBXBKIYFW-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H](C)O1 ZINC000459352866 203263023 /nfs/dbraw/zinc/26/30/23/203263023.db2.gz WLBIJEMQNORPMV-CMPLNLGQSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnnn2CC)C[C@H](C)O1 ZINC000459352866 203263027 /nfs/dbraw/zinc/26/30/27/203263027.db2.gz WLBIJEMQNORPMV-CMPLNLGQSA-N 1 2 238.335 1.297 20 0 BDADLO O=c1cc(C[N@H+]2CC[C@H](F)C2)nc(C2CC2)[nH]1 ZINC000459490736 203291927 /nfs/dbraw/zinc/29/19/27/203291927.db2.gz TXFTUHXHRAOWNF-VIFPVBQESA-N 1 2 237.278 1.603 20 0 BDADLO O=c1cc(C[N@@H+]2CC[C@H](F)C2)nc(C2CC2)[nH]1 ZINC000459490736 203291930 /nfs/dbraw/zinc/29/19/30/203291930.db2.gz TXFTUHXHRAOWNF-VIFPVBQESA-N 1 2 237.278 1.603 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1cnccc1C ZINC000459438854 203281794 /nfs/dbraw/zinc/28/17/94/203281794.db2.gz IIOGZYYRBIJJOF-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1cnccc1C ZINC000459438854 203281797 /nfs/dbraw/zinc/28/17/97/203281797.db2.gz IIOGZYYRBIJJOF-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000459441238 203282038 /nfs/dbraw/zinc/28/20/38/203282038.db2.gz HNGQFPFZXHAUPK-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@](C)(CC)C1 ZINC000459441238 203282041 /nfs/dbraw/zinc/28/20/41/203282041.db2.gz HNGQFPFZXHAUPK-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1c[nH]nc1C ZINC000623679950 369381687 /nfs/dbraw/zinc/38/16/87/369381687.db2.gz QNEBTRVMXBGOFX-UHFFFAOYSA-N 1 2 203.236 1.853 20 0 BDADLO CCOC1C[NH+](C/C=C\c2ccncc2)C1 ZINC000459602760 203315283 /nfs/dbraw/zinc/31/52/83/203315283.db2.gz FQCFIAMMMQXQIH-ARJAWSKDSA-N 1 2 218.300 1.816 20 0 BDADLO OCCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000459591230 203310644 /nfs/dbraw/zinc/31/06/44/203310644.db2.gz KQTXXSZFPUCWTG-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO OCCC1C[NH+](Cc2cccc(O)c2Cl)C1 ZINC000459599053 203311088 /nfs/dbraw/zinc/31/10/88/203311088.db2.gz YAUPMMZGWQXUIA-UHFFFAOYSA-N 1 2 241.718 1.860 20 0 BDADLO CCCCCOC1CN(Cc2c[nH+]cn2C)C1 ZINC000459596265 203312621 /nfs/dbraw/zinc/31/26/21/203312621.db2.gz SUZVBDGYFGXLCL-UHFFFAOYSA-N 1 2 237.347 1.811 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000459603332 203315085 /nfs/dbraw/zinc/31/50/85/203315085.db2.gz HKZDQJWQHTUVKK-UHFFFAOYSA-N 1 2 246.314 1.189 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccnn2CC)C1 ZINC000459619873 203318573 /nfs/dbraw/zinc/31/85/73/203318573.db2.gz KXEQAABPLMENQS-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO COc1cc(C)nc(C[NH+]2CC(C)(CO)C2)c1 ZINC000459622701 203320195 /nfs/dbraw/zinc/32/01/95/203320195.db2.gz QLTNKEGEUZHSPP-UHFFFAOYSA-N 1 2 236.315 1.213 20 0 BDADLO c1cn(Cc2noc3c2CCCC3)c[nH+]1 ZINC000108851519 369413119 /nfs/dbraw/zinc/41/31/19/369413119.db2.gz JFTAGPPQCPLSSD-UHFFFAOYSA-N 1 2 203.245 1.798 20 0 BDADLO Cc1cnc(CNCc2[nH]cc[nH+]2)s1 ZINC000230686478 369456204 /nfs/dbraw/zinc/45/62/04/369456204.db2.gz GIXBMCAHQDGWIY-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1cc(NC(=O)c2ncc[nH]2)cc[nH+]1 ZINC000082266762 370976857 /nfs/dbraw/zinc/97/68/57/370976857.db2.gz WWAHNLSTUBSOJP-UHFFFAOYSA-N 1 2 202.217 1.365 20 0 BDADLO Cc1cccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000082282008 370980077 /nfs/dbraw/zinc/98/00/77/370980077.db2.gz BOCCNJZRRHZWJL-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO Cc1cccc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000082282009 370980337 /nfs/dbraw/zinc/98/03/37/370980337.db2.gz BOCCNJZRRHZWJL-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CC(C)c1nc(NCC(C)(C)C(N)=O)cc[nH+]1 ZINC000110225362 369652677 /nfs/dbraw/zinc/65/26/77/369652677.db2.gz TXNDMNWFUWQCPO-UHFFFAOYSA-N 1 2 236.319 1.523 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCCc1ccco1 ZINC000620365053 369853995 /nfs/dbraw/zinc/85/39/95/369853995.db2.gz SXJZBOXVCKULCM-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1nncs1 ZINC000620412548 369867209 /nfs/dbraw/zinc/86/72/09/369867209.db2.gz JQFHRKDXJAZEIS-UHFFFAOYSA-N 1 2 237.288 1.154 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cccnc1 ZINC000620411838 369867572 /nfs/dbraw/zinc/86/75/72/369867572.db2.gz VMYBZZFUMCNEPQ-UHFFFAOYSA-N 1 2 230.271 1.697 20 0 BDADLO CC(C)CNC(=O)CCCn1cc[nH+]c1 ZINC000620411801 369867775 /nfs/dbraw/zinc/86/77/75/369867775.db2.gz KLAAYFCPLGKLOI-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO CCc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)[nH]n1 ZINC000620597652 369948892 /nfs/dbraw/zinc/94/88/92/369948892.db2.gz YBPNVRVGIWPMKL-QMMMGPOBSA-N 1 2 247.302 1.197 20 0 BDADLO C[C@H](NC(=O)COC(C)(C)C)c1[nH+]ccn1C ZINC000620603463 369951746 /nfs/dbraw/zinc/95/17/46/369951746.db2.gz IOBRJFXCDGMSLY-VIFPVBQESA-N 1 2 239.319 1.412 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603230 369952039 /nfs/dbraw/zinc/95/20/39/369952039.db2.gz ITLVYIQBRUMEHE-VIFPVBQESA-N 1 2 232.287 1.548 20 0 BDADLO CO[C@@H](C)CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604446 369952774 /nfs/dbraw/zinc/95/27/74/369952774.db2.gz RCQXYSTYKPHHFK-VHSXEESVSA-N 1 2 239.319 1.412 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(CCC1CC1)CC1CC1 ZINC000620630009 369969188 /nfs/dbraw/zinc/96/91/88/369969188.db2.gz OLFAIOKMPUDQIU-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@@H]3CCCO3)cc2[nH+]1 ZINC000620648096 369972470 /nfs/dbraw/zinc/97/24/70/369972470.db2.gz UCQIGITUOKEDHC-NSHDSACASA-N 1 2 245.282 1.760 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC=CCC1)c1[nH+]ccn1C ZINC000620594711 369946370 /nfs/dbraw/zinc/94/63/70/369946370.db2.gz BLVPUVXLKYWQNT-MNOVXSKESA-N 1 2 233.315 1.954 20 0 BDADLO CCc1n[nH]cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620595800 369947371 /nfs/dbraw/zinc/94/73/71/369947371.db2.gz LQQRLIPGGSGTQW-QMMMGPOBSA-N 1 2 247.302 1.197 20 0 BDADLO CCO[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620596350 369947989 /nfs/dbraw/zinc/94/79/89/369947989.db2.gz OACNOUTYDNZYLP-DTWKUNHWSA-N 1 2 225.292 1.022 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594947 369948148 /nfs/dbraw/zinc/94/81/48/369948148.db2.gz CYEBRWKMJPEYES-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO Cc1nccc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000620597267 369948167 /nfs/dbraw/zinc/94/81/67/369948167.db2.gz WCQXVRLRRAEAEK-MRVPVSSYSA-N 1 2 245.286 1.010 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccncc1 ZINC000074859453 370048216 /nfs/dbraw/zinc/04/82/16/370048216.db2.gz HVLDOJUICNMDJO-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)Cc1c[nH+]cn1C ZINC000621045056 370080129 /nfs/dbraw/zinc/08/01/29/370080129.db2.gz VAPFJRYQEPLSMM-SNVBAGLBSA-N 1 2 235.331 1.467 20 0 BDADLO CC(C)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621243157 370176950 /nfs/dbraw/zinc/17/69/50/370176950.db2.gz MYYRXUQISIRDKQ-UHFFFAOYSA-N 1 2 233.275 1.076 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC(C)C)ccn1 ZINC000621246184 370179835 /nfs/dbraw/zinc/17/98/35/370179835.db2.gz PLSFOXCZOFSWJF-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC(C)C)ccn1 ZINC000621246184 370179840 /nfs/dbraw/zinc/17/98/40/370179840.db2.gz PLSFOXCZOFSWJF-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2CCO[C@@H]2C)[nH+]1 ZINC000631005900 370144089 /nfs/dbraw/zinc/14/40/89/370144089.db2.gz OQCBQKKGNHLROW-BDAKNGLRSA-N 1 2 239.344 1.715 20 0 BDADLO CC[C@H](F)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000308568940 370145759 /nfs/dbraw/zinc/14/57/59/370145759.db2.gz BLCDJWBYFYILSN-XPUUQOCRSA-N 1 2 201.245 1.777 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000075617073 370148255 /nfs/dbraw/zinc/14/82/55/370148255.db2.gz VDZXLPZLKZQHNT-SECBINFHSA-N 1 2 210.277 1.194 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@@H](O)C2)o1 ZINC000075617073 370148260 /nfs/dbraw/zinc/14/82/60/370148260.db2.gz VDZXLPZLKZQHNT-SECBINFHSA-N 1 2 210.277 1.194 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccon1 ZINC000621278861 370210635 /nfs/dbraw/zinc/21/06/35/370210635.db2.gz LQELJOHKTOVOHZ-VIFPVBQESA-N 1 2 249.270 1.321 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccon1 ZINC000621278861 370210640 /nfs/dbraw/zinc/21/06/40/370210640.db2.gz LQELJOHKTOVOHZ-VIFPVBQESA-N 1 2 249.270 1.321 20 0 BDADLO Cc1ccnc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000621329304 370262167 /nfs/dbraw/zinc/26/21/67/370262167.db2.gz YETGKVJOGLEWSU-UHFFFAOYSA-N 1 2 241.298 1.486 20 0 BDADLO CCOc1cncc(C[NH2+]Cc2cocn2)c1 ZINC000621334975 370268188 /nfs/dbraw/zinc/26/81/88/370268188.db2.gz YBPMKWAVPWMAFV-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000076400364 370280401 /nfs/dbraw/zinc/28/04/01/370280401.db2.gz JRJJBMHZFKFDIW-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000076400364 370280403 /nfs/dbraw/zinc/28/04/03/370280403.db2.gz JRJJBMHZFKFDIW-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@@H](CO)C2)nc[nH+]1 ZINC000621347871 370282283 /nfs/dbraw/zinc/28/22/83/370282283.db2.gz OFHFNOVQVCKNKP-GXSJLCMTSA-N 1 2 221.304 1.240 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2CC(C)C2)[nH+]1 ZINC000621354723 370289791 /nfs/dbraw/zinc/28/97/91/370289791.db2.gz SNQVSUONHLLRCK-UHFFFAOYSA-N 1 2 235.335 1.126 20 0 BDADLO Cc1nc(NCC2CC(C)C2)nc(N(C)C)[nH+]1 ZINC000621354723 370289798 /nfs/dbraw/zinc/28/97/98/370289798.db2.gz SNQVSUONHLLRCK-UHFFFAOYSA-N 1 2 235.335 1.126 20 0 BDADLO CCNC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621406250 370341237 /nfs/dbraw/zinc/34/12/37/370341237.db2.gz QNYKJRUNQYLZJV-LLVKDONJSA-N 1 2 248.317 1.926 20 0 BDADLO O=C1NCC[C@@H]1[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621404235 370341627 /nfs/dbraw/zinc/34/16/27/370341627.db2.gz MPHRVHUOHLBVBA-UWVGGRQHSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000077210315 370399947 /nfs/dbraw/zinc/39/99/47/370399947.db2.gz KDHMGUXFPBFVDP-NSHDSACASA-N 1 2 243.314 1.899 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000621721579 370472251 /nfs/dbraw/zinc/47/22/51/370472251.db2.gz UDGZBPLJKDPINY-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000621721579 370472254 /nfs/dbraw/zinc/47/22/54/370472254.db2.gz UDGZBPLJKDPINY-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccnc1C[N@@H+](C(C)C)C1COC1 ZINC000621729467 370482107 /nfs/dbraw/zinc/48/21/07/370482107.db2.gz VSRKPJOYLFYVBE-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@H+](C(C)C)C1COC1 ZINC000621729467 370482112 /nfs/dbraw/zinc/48/21/12/370482112.db2.gz VSRKPJOYLFYVBE-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000621732368 370486950 /nfs/dbraw/zinc/48/69/50/370486950.db2.gz YQTQODVCQHEKKP-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000621732368 370486955 /nfs/dbraw/zinc/48/69/55/370486955.db2.gz YQTQODVCQHEKKP-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000621732369 370487672 /nfs/dbraw/zinc/48/76/72/370487672.db2.gz YQTQODVCQHEKKP-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000621732369 370487675 /nfs/dbraw/zinc/48/76/75/370487675.db2.gz YQTQODVCQHEKKP-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cn1nncc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000621741526 370494173 /nfs/dbraw/zinc/49/41/73/370494173.db2.gz XJTHSOWQTHAHBV-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO Cn1ccnc1C[NH+]1CC(CC2CC2)C1 ZINC000621740300 370500021 /nfs/dbraw/zinc/50/00/21/370500021.db2.gz IYMDLSBBBAIQBQ-UHFFFAOYSA-N 1 2 205.305 1.652 20 0 BDADLO CCc1cc(N[C@@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000078307065 370549669 /nfs/dbraw/zinc/54/96/69/370549669.db2.gz YITJOECPGLQZLC-VIFPVBQESA-N 1 2 231.303 1.946 20 0 BDADLO C[C@@H](CC(=O)NCC(F)F)n1cc[nH+]c1 ZINC000568396492 326354258 /nfs/dbraw/zinc/35/42/58/326354258.db2.gz KFBWDWZZOYUNHG-ZETCQYMHSA-N 1 2 217.219 1.216 20 0 BDADLO c1ccc(NCc2nnnn2C2CC2)[nH+]c1 ZINC000078557571 370574639 /nfs/dbraw/zinc/57/46/39/370574639.db2.gz GBYWOYLEHAULFX-UHFFFAOYSA-N 1 2 216.248 1.015 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621899429 370588990 /nfs/dbraw/zinc/58/89/90/370588990.db2.gz ZKGXHOHNNMJFFR-UHFFFAOYSA-N 1 2 246.314 1.674 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621968387 370626233 /nfs/dbraw/zinc/62/62/33/370626233.db2.gz FWMSGAMDFLYZKE-DTWKUNHWSA-N 1 2 239.319 1.227 20 0 BDADLO CC(C)(C(=O)N1CC(C)(F)C1)c1c[nH+]c[nH]1 ZINC000621985109 370643722 /nfs/dbraw/zinc/64/37/22/370643722.db2.gz UMURLTFEAVASIF-UHFFFAOYSA-N 1 2 225.267 1.258 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C(C)(C)C2CC2)c1 ZINC000622686670 371064400 /nfs/dbraw/zinc/06/44/00/371064400.db2.gz PIBSGAQOASKAMK-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C/C=C\CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000623908625 371149523 /nfs/dbraw/zinc/14/95/23/371149523.db2.gz JTQUOKPZPIIIMQ-MXQLGCADSA-N 1 2 234.303 1.073 20 0 BDADLO CCN(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623931769 371160429 /nfs/dbraw/zinc/16/04/29/371160429.db2.gz IYVWZPHKWBFVMH-JTQLQIEISA-N 1 2 221.304 1.232 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C1CC1)CC2 ZINC000623994142 371228561 /nfs/dbraw/zinc/22/85/61/371228561.db2.gz PHPSTIRZMPLZCF-SNVBAGLBSA-N 1 2 233.315 1.375 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C(C)(C)CO ZINC000124791495 371236286 /nfs/dbraw/zinc/23/62/86/371236286.db2.gz DTFDUCUBAYOLPT-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C(C)(C)CO ZINC000124791495 371236291 /nfs/dbraw/zinc/23/62/91/371236291.db2.gz DTFDUCUBAYOLPT-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CCC(F)(F)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000624147828 371342583 /nfs/dbraw/zinc/34/25/83/371342583.db2.gz LXBAONMDITVFOF-SSDOTTSWSA-N 1 2 229.292 1.054 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@]2(O)C[C@H]2C1 ZINC000624399574 371500441 /nfs/dbraw/zinc/50/04/41/371500441.db2.gz PPFXSPMGCIKHIA-JOYOIKCWSA-N 1 2 220.272 1.051 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1CC=CC1 ZINC000624491023 371521137 /nfs/dbraw/zinc/52/11/37/371521137.db2.gz HGALHIXSBXOYHB-UHFFFAOYSA-N 1 2 219.288 1.594 20 0 BDADLO COC1CC(C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000624522755 371530154 /nfs/dbraw/zinc/53/01/54/371530154.db2.gz BBPJJGPMOBTVRC-UHFFFAOYSA-N 1 2 249.314 1.511 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC1(C)C)CC2 ZINC000624524775 371530688 /nfs/dbraw/zinc/53/06/88/371530688.db2.gz CBRQNEOSDDJFPC-QWRGUYRKSA-N 1 2 247.342 1.669 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000624397137 371499534 /nfs/dbraw/zinc/49/95/34/371499534.db2.gz PVSDQOHDGADCDL-NXEZZACHSA-N 1 2 236.315 1.543 20 0 BDADLO Cc1nnc(C[NH2+][C@@](C)(CO)c2ccccc2)o1 ZINC000225692560 371567163 /nfs/dbraw/zinc/56/71/63/371567163.db2.gz LFXNWOJBLSFNOE-ZDUSSCGKSA-N 1 2 247.298 1.375 20 0 BDADLO CCc1noc(C[NH+]2CCC([C@H](C)O)CC2)n1 ZINC000225785022 371578610 /nfs/dbraw/zinc/57/86/10/371578610.db2.gz WKPQMIWBXOXJMR-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO C=C/C(C)=C/CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370957 371587942 /nfs/dbraw/zinc/58/79/42/371587942.db2.gz RGBHSCRMDBOIGF-ONNFQVAWSA-N 1 2 231.299 1.817 20 0 BDADLO C=C/C(C)=C/CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370957 371587944 /nfs/dbraw/zinc/58/79/44/371587944.db2.gz RGBHSCRMDBOIGF-ONNFQVAWSA-N 1 2 231.299 1.817 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)C12CC(C1)C2 ZINC000627394100 371599982 /nfs/dbraw/zinc/59/99/82/371599982.db2.gz XDQJLPQGGHSMTF-UHFFFAOYSA-N 1 2 217.272 1.025 20 0 BDADLO C[C@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000132818107 371926990 /nfs/dbraw/zinc/92/69/90/371926990.db2.gz CDJAMLOPXNNGGE-MRVPVSSYSA-N 1 2 231.303 1.821 20 0 BDADLO COC1CC(C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000627786644 371977541 /nfs/dbraw/zinc/97/75/41/371977541.db2.gz WNCDYRQDDDVSPS-UHFFFAOYSA-N 1 2 248.326 1.740 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2ccccn2)c1 ZINC000228155167 371997968 /nfs/dbraw/zinc/99/79/68/371997968.db2.gz DFLMWDSBQGHIQS-UHFFFAOYSA-N 1 2 246.266 1.751 20 0 BDADLO CCn1cc[nH+]c1CN1CCCC(=O)C1 ZINC000134123639 372162798 /nfs/dbraw/zinc/16/27/98/372162798.db2.gz RFWFDRCDSRIXND-UHFFFAOYSA-N 1 2 207.277 1.068 20 0 BDADLO CCc1cc(N[C@H](C)[C@@H](CO)SC)nc[nH+]1 ZINC000218891690 372164646 /nfs/dbraw/zinc/16/46/46/372164646.db2.gz CUUOZHZEADLMJS-PSASIEDQSA-N 1 2 241.360 1.563 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)c1csnn1 ZINC000631158620 372211963 /nfs/dbraw/zinc/21/19/63/372211963.db2.gz CWZAPICQGRLRMH-ZETCQYMHSA-N 1 2 236.300 1.490 20 0 BDADLO CCC[C@H](C)[C@@H]1CCCN1c1nc(C)[nH+]c(N)n1 ZINC000631169812 372216127 /nfs/dbraw/zinc/21/61/27/372216127.db2.gz JDXSKSIGGBJTOZ-ONGXEEELSA-N 1 2 249.362 1.998 20 0 BDADLO CCC[C@H](C)[C@@H]1CCCN1c1nc(N)nc(C)[nH+]1 ZINC000631169812 372216130 /nfs/dbraw/zinc/21/61/30/372216130.db2.gz JDXSKSIGGBJTOZ-ONGXEEELSA-N 1 2 249.362 1.998 20 0 BDADLO CCCCc1cc(NC2(CO)CC2)nc[nH+]1 ZINC000631179784 372219289 /nfs/dbraw/zinc/21/92/89/372219289.db2.gz WAALXTDHDJPWJS-UHFFFAOYSA-N 1 2 221.304 1.756 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@H]2CCOC2)[nH+]1 ZINC000631178986 372219862 /nfs/dbraw/zinc/21/98/62/372219862.db2.gz OAGIVVJNZJJIQP-VIFPVBQESA-N 1 2 246.314 1.704 20 0 BDADLO C[C@H]1C[C@@H](Nc2c[nH+]cc(N(C)C)c2)CO1 ZINC000631202976 372233271 /nfs/dbraw/zinc/23/32/71/372233271.db2.gz GLDCWNFFGCHRRP-GXSJLCMTSA-N 1 2 221.304 1.737 20 0 BDADLO COCC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000631334204 372300689 /nfs/dbraw/zinc/30/06/89/372300689.db2.gz ZYPQJDJSFMUXPL-UHFFFAOYSA-N 1 2 219.288 1.437 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1nocc1C ZINC000631293003 372280197 /nfs/dbraw/zinc/28/01/97/372280197.db2.gz ANJLHFVEZNNNGB-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO Cc1nc(N2CC(Cc3cnn(C)c3)C2)cc[nH+]1 ZINC000631374992 372322322 /nfs/dbraw/zinc/32/23/22/372322322.db2.gz DXQXLDJORCKGMR-UHFFFAOYSA-N 1 2 243.314 1.197 20 0 BDADLO Cc1conc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000631424946 372354866 /nfs/dbraw/zinc/35/48/66/372354866.db2.gz XHHFSFZJZSZONJ-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H](O)C(F)F ZINC000631459867 372374357 /nfs/dbraw/zinc/37/43/57/372374357.db2.gz JFZOMIKZKQYRRR-SSDOTTSWSA-N 1 2 232.230 1.518 20 0 BDADLO Cc1nocc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000631911778 372694016 /nfs/dbraw/zinc/69/40/16/372694016.db2.gz RGRZLDCWMINPEM-UHFFFAOYSA-N 1 2 248.286 1.342 20 0 BDADLO C[C@H]1CCCCN1C(=O)NCc1[nH]cc[nH+]1 ZINC000632143928 372780481 /nfs/dbraw/zinc/78/04/81/372780481.db2.gz GOLICGMQLHAWMU-VIFPVBQESA-N 1 2 222.292 1.494 20 0 BDADLO C[NH+](C)Cc1nc([C@@H]2Cc3ccc(F)cc32)no1 ZINC000632218935 372812983 /nfs/dbraw/zinc/81/29/83/372812983.db2.gz JSCOFZHDLQCOQB-LLVKDONJSA-N 1 2 247.273 1.958 20 0 BDADLO O=C(COc1cc[nH+]cc1)NCc1ccco1 ZINC000356102410 182004483 /nfs/dbraw/zinc/00/44/83/182004483.db2.gz WNMFMVDDHHLXAJ-UHFFFAOYSA-N 1 2 232.239 1.370 20 0 BDADLO O=C(COc1cc[nH+]cc1)N1CCCC1 ZINC000292510200 182004541 /nfs/dbraw/zinc/00/45/41/182004541.db2.gz UBASFRGHQAEJPM-UHFFFAOYSA-N 1 2 206.245 1.083 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)NC ZINC000632344446 372893204 /nfs/dbraw/zinc/89/32/04/372893204.db2.gz CQHJBVGPXHZNCB-JTQLQIEISA-N 1 2 236.319 1.769 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332839355 182024437 /nfs/dbraw/zinc/02/44/37/182024437.db2.gz BHMCSJSBIAEFCN-WDEREUQCSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332839355 182024439 /nfs/dbraw/zinc/02/44/39/182024439.db2.gz BHMCSJSBIAEFCN-WDEREUQCSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(C[C@H]1C=CCC1)NC1=[NH+]CCS1 ZINC000046551877 182024762 /nfs/dbraw/zinc/02/47/62/182024762.db2.gz JBPNNYQQGUTUGX-QMMMGPOBSA-N 1 2 210.302 1.562 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H](C1CC1)C(F)(F)F ZINC000291116049 182070753 /nfs/dbraw/zinc/07/07/53/182070753.db2.gz DZIAACJZRCEDFN-SECBINFHSA-N 1 2 247.220 1.340 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1(C(F)F)CC1 ZINC000360465718 182071476 /nfs/dbraw/zinc/07/14/76/182071476.db2.gz FCNKDMVCABAYDC-UHFFFAOYSA-N 1 2 229.230 1.045 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1c(F)cccc1F ZINC000010809255 182071164 /nfs/dbraw/zinc/07/11/64/182071164.db2.gz MQSFKHGIYSHXPW-UHFFFAOYSA-N 1 2 237.209 1.800 20 0 BDADLO CC(C)N(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632758230 373127507 /nfs/dbraw/zinc/12/75/07/373127507.db2.gz YRABZFRMFPMNDF-UHFFFAOYSA-N 1 2 210.281 1.302 20 0 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1.849 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cc[nH]n2)Cc2ccccc21 ZINC000371877083 183197907 /nfs/dbraw/zinc/19/79/07/183197907.db2.gz RYLWNKLKAXDOOM-CQSZACIVSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H](C[N@@H+]1CCC[C@H]1c1cc[nH]n1)C(F)(F)F ZINC000278580676 183221537 /nfs/dbraw/zinc/22/15/37/183221537.db2.gz KEBDWQYGESHIFU-DTWKUNHWSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[N@H+]1CCC[C@H]1c1cc[nH]n1)C(F)(F)F ZINC000278580676 183221540 /nfs/dbraw/zinc/22/15/40/183221540.db2.gz KEBDWQYGESHIFU-DTWKUNHWSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000264901466 183226735 /nfs/dbraw/zinc/22/67/35/183226735.db2.gz WBJKZBOILYUJNL-SNVBAGLBSA-N 1 2 219.288 1.537 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1ccncc1 ZINC000050051830 169101598 /nfs/dbraw/zinc/10/15/98/169101598.db2.gz RMISSXSRKCKAQP-UHFFFAOYSA-N 1 2 236.315 1.857 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1ccncc1 ZINC000050051830 169101600 /nfs/dbraw/zinc/10/16/00/169101600.db2.gz RMISSXSRKCKAQP-UHFFFAOYSA-N 1 2 236.315 1.857 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cccnc1 ZINC000050065666 169101626 /nfs/dbraw/zinc/10/16/26/169101626.db2.gz FRPITIIIQIWQFQ-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cccnc1 ZINC000050065666 169101628 /nfs/dbraw/zinc/10/16/28/169101628.db2.gz FRPITIIIQIWQFQ-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1cncs1 ZINC000092382148 169092971 /nfs/dbraw/zinc/09/29/71/169092971.db2.gz NQMVDFNVEDXHQZ-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cncs1 ZINC000092382148 169092973 /nfs/dbraw/zinc/09/29/73/169092973.db2.gz NQMVDFNVEDXHQZ-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000294847995 183245699 /nfs/dbraw/zinc/24/56/99/183245699.db2.gz RTIDYFLXDCVZIF-GFCCVEGCSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000294847995 183245702 /nfs/dbraw/zinc/24/57/02/183245702.db2.gz RTIDYFLXDCVZIF-GFCCVEGCSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nccn2C(F)F)CC1 ZINC000293247800 183235237 /nfs/dbraw/zinc/23/52/37/183235237.db2.gz TUNBYVAOIJJYEF-VIFPVBQESA-N 1 2 245.273 1.625 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)CC1 ZINC000293247800 183235238 /nfs/dbraw/zinc/23/52/38/183235238.db2.gz TUNBYVAOIJJYEF-VIFPVBQESA-N 1 2 245.273 1.625 20 0 BDADLO Oc1ccc(C[NH2+]Cc2ncc[nH]2)cc1F ZINC000120467288 183270345 /nfs/dbraw/zinc/27/03/45/183270345.db2.gz SWVFXWZRIAEPBS-UHFFFAOYSA-N 1 2 221.235 1.544 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CCC[C@@H](O)C2)c1F ZINC000281047313 183274034 /nfs/dbraw/zinc/27/40/34/183274034.db2.gz QMOIIKUDPUSDTI-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CCC[C@@H](O)C2)c1F ZINC000281047313 183274035 /nfs/dbraw/zinc/27/40/35/183274035.db2.gz QMOIIKUDPUSDTI-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO CCCN(CC1CC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000365757989 169136089 /nfs/dbraw/zinc/13/60/89/169136089.db2.gz LTNGOHRQNPYGRC-SNVBAGLBSA-N 1 2 246.301 1.632 20 0 BDADLO CCCN(CC1CC1)c1[nH+]cnc2c1cnn2C ZINC000178773623 169137801 /nfs/dbraw/zinc/13/78/01/169137801.db2.gz UXHMHHYTYIGGKD-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO CCCN(CCC)C(=O)COCc1[nH]cc[nH+]1 ZINC000180048002 169142284 /nfs/dbraw/zinc/14/22/84/169142284.db2.gz BREYSWNCKTWXPB-UHFFFAOYSA-N 1 2 239.319 1.575 20 0 BDADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccno1)C2 ZINC000285620070 183282254 /nfs/dbraw/zinc/28/22/54/183282254.db2.gz WMJOFQHFUKNCQW-UHFFFAOYSA-N 1 2 246.266 1.775 20 0 BDADLO Oc1ccc2c(c1)OCC[N@H+](Cc1ccno1)C2 ZINC000285620070 183282256 /nfs/dbraw/zinc/28/22/56/183282256.db2.gz WMJOFQHFUKNCQW-UHFFFAOYSA-N 1 2 246.266 1.775 20 0 BDADLO CCCN(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000266202225 169168799 /nfs/dbraw/zinc/16/87/99/169168799.db2.gz DPMOYSJQQFFGTK-UHFFFAOYSA-N 1 2 221.304 1.563 20 0 BDADLO CCCN(c1nc(C)[nH+]c(N(C)C)n1)C1CC1 ZINC000354047430 169183217 /nfs/dbraw/zinc/18/32/17/169183217.db2.gz LCXXCOKBAOYYGV-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO CCCN(c1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC000354047430 169183218 /nfs/dbraw/zinc/18/32/18/169183218.db2.gz LCXXCOKBAOYYGV-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C3CCC3)C2)[nH]1 ZINC000367987625 183307491 /nfs/dbraw/zinc/30/74/91/183307491.db2.gz GJJPREJGLLZIMK-QMMMGPOBSA-N 1 2 222.292 1.242 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](C3CCC3)C2)[nH]1 ZINC000367987625 183307494 /nfs/dbraw/zinc/30/74/94/183307494.db2.gz GJJPREJGLLZIMK-QMMMGPOBSA-N 1 2 222.292 1.242 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000369408090 169224264 /nfs/dbraw/zinc/22/42/64/169224264.db2.gz JSPLWRMAKNHDBE-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000369408090 169224265 /nfs/dbraw/zinc/22/42/65/169224265.db2.gz JSPLWRMAKNHDBE-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO c1n[nH]cc1CCNc1cc[nH+]c(C2CC2)n1 ZINC000291068841 183357787 /nfs/dbraw/zinc/35/77/87/183357787.db2.gz GUUXKJUCNSQFCO-UHFFFAOYSA-N 1 2 229.287 1.732 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1scnc1C ZINC000066563494 169219324 /nfs/dbraw/zinc/21/93/24/169219324.db2.gz YCJMBNIIPRSFAR-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1scnc1C ZINC000066563494 169219326 /nfs/dbraw/zinc/21/93/26/169219326.db2.gz YCJMBNIIPRSFAR-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055052403 169219762 /nfs/dbraw/zinc/21/97/62/169219762.db2.gz HLSJRXJLYAQCHY-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055052403 169219763 /nfs/dbraw/zinc/21/97/63/169219763.db2.gz HLSJRXJLYAQCHY-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCCNC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180273426 169220334 /nfs/dbraw/zinc/22/03/34/169220334.db2.gz RZIJPFRHKRUQSO-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO CCCNC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180273426 169220336 /nfs/dbraw/zinc/22/03/36/169220336.db2.gz RZIJPFRHKRUQSO-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO c1cc2c(cc1C[N@@H+]1CCO[C@H]3C[C@H]31)OCCO2 ZINC000368331145 183368199 /nfs/dbraw/zinc/36/81/99/183368199.db2.gz MYECZMKBMWCQGN-YPMHNXCESA-N 1 2 247.294 1.431 20 0 BDADLO c1cc2c(cc1C[N@H+]1CCO[C@H]3C[C@H]31)OCCO2 ZINC000368331145 183368202 /nfs/dbraw/zinc/36/82/02/183368202.db2.gz MYECZMKBMWCQGN-YPMHNXCESA-N 1 2 247.294 1.431 20 0 BDADLO CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000047500985 169236434 /nfs/dbraw/zinc/23/64/34/169236434.db2.gz QDALUOMNGANHDV-UHFFFAOYSA-N 1 2 222.292 1.203 20 0 BDADLO CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000163094496 169239102 /nfs/dbraw/zinc/23/91/02/169239102.db2.gz PUDPZUNDUXXUGH-NSHDSACASA-N 1 2 248.330 1.370 20 0 BDADLO c1cc2c(ccnc2NCC[NH+]2CCOCC2)o1 ZINC000156686184 183378674 /nfs/dbraw/zinc/37/86/74/183378674.db2.gz GMGVRSPHNTYRGR-UHFFFAOYSA-N 1 2 247.298 1.572 20 0 BDADLO c1nc(C[NH+]2CCCC2)nn1-c1ccccc1 ZINC000092793408 183386005 /nfs/dbraw/zinc/38/60/05/183386005.db2.gz UEQMBNRBTXWGCA-UHFFFAOYSA-N 1 2 228.299 1.863 20 0 BDADLO c1nc2ccccn2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000353668099 183464255 /nfs/dbraw/zinc/46/42/55/183464255.db2.gz FRQXJEYWHUGCEF-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO c1nc2ccccn2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000353668099 183464258 /nfs/dbraw/zinc/46/42/58/183464258.db2.gz FRQXJEYWHUGCEF-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000276537711 169362038 /nfs/dbraw/zinc/36/20/38/169362038.db2.gz IOTMYVJEFPWXEV-LLVKDONJSA-N 1 2 237.347 2.000 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000356277897 169385742 /nfs/dbraw/zinc/38/57/42/169385742.db2.gz IUPMYRPPGCBKHK-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO CCC[C@@H](CC)NC(=O)NCCn1cc[nH+]c1 ZINC000195375474 259604354 /nfs/dbraw/zinc/60/43/54/259604354.db2.gz ZHOAGYIVLODPJH-LLVKDONJSA-N 1 2 238.335 1.761 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1cccs1 ZINC000194426287 259620712 /nfs/dbraw/zinc/62/07/12/259620712.db2.gz OUKQINLZZIPLMH-MRVPVSSYSA-N 1 2 237.332 1.513 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H](CO)CC(C)C)[nH]1 ZINC000185328284 134380153 /nfs/dbraw/zinc/38/01/53/134380153.db2.gz SYVMUYOKIINRRE-SNVBAGLBSA-N 1 2 240.351 1.206 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H](CO)CC(C)C)[nH]1 ZINC000185328284 134380154 /nfs/dbraw/zinc/38/01/54/134380154.db2.gz SYVMUYOKIINRRE-SNVBAGLBSA-N 1 2 240.351 1.206 20 0 BDADLO C[C@H]([NH2+]C1CC1)C(=O)N=c1cc([C@H]2C[C@H]2C)[nH][nH]1 ZINC000569357687 383840297 /nfs/dbraw/zinc/84/02/97/383840297.db2.gz WYNNFKWOYNQBGX-WEDXCCLWSA-N 1 2 248.330 1.034 20 0 BDADLO Cc1nc(CN2CCC(n3cc[nH+]c3)CC2)no1 ZINC000111243318 383843319 /nfs/dbraw/zinc/84/33/19/383843319.db2.gz DNACVZMAWARYBQ-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCn2cccn2)o1 ZINC000111279585 383852321 /nfs/dbraw/zinc/85/23/21/383852321.db2.gz DIFOLLRLDVVUNK-UHFFFAOYSA-N 1 2 249.318 1.522 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCn2cccn2)o1 ZINC000111279585 383852336 /nfs/dbraw/zinc/85/23/36/383852336.db2.gz DIFOLLRLDVVUNK-UHFFFAOYSA-N 1 2 249.318 1.522 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)C12CCC2 ZINC000087709866 383862649 /nfs/dbraw/zinc/86/26/49/383862649.db2.gz KRLIIBIMIQJJNK-AXFHLTTASA-N 1 2 241.331 1.485 20 0 BDADLO C=Cn1cc(C[N@@H+](C)Cc2cnn(C)c2C)cn1 ZINC000560051107 383868262 /nfs/dbraw/zinc/86/82/62/383868262.db2.gz RMVVGXAWUYSMQQ-UHFFFAOYSA-N 1 2 245.330 1.658 20 0 BDADLO C=Cn1cc(C[N@H+](C)Cc2cnn(C)c2C)cn1 ZINC000560051107 383868270 /nfs/dbraw/zinc/86/82/70/383868270.db2.gz RMVVGXAWUYSMQQ-UHFFFAOYSA-N 1 2 245.330 1.658 20 0 BDADLO CCO[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332409536 383927810 /nfs/dbraw/zinc/92/78/10/383927810.db2.gz NCVVTCOQJRBUNW-NXEZZACHSA-N 1 2 237.303 1.498 20 0 BDADLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cscn1 ZINC000309539550 383884640 /nfs/dbraw/zinc/88/46/40/383884640.db2.gz FPECUQTZNRXXEP-LURJTMIESA-N 1 2 249.286 1.175 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2COCCO2)c(C)[nH+]1 ZINC000267969283 383893266 /nfs/dbraw/zinc/89/32/66/383893266.db2.gz BJPCSVMYNGIZQN-NSHDSACASA-N 1 2 236.271 1.052 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)c(F)c1 ZINC000088357867 383896038 /nfs/dbraw/zinc/89/60/38/383896038.db2.gz VFILLPAHXNWDDR-NSHDSACASA-N 1 2 238.262 1.061 20 0 BDADLO CCCCNC(=O)NCc1[nH+]ccn1CC ZINC000296236911 383982555 /nfs/dbraw/zinc/98/25/55/383982555.db2.gz PTBBWJBUKWTITJ-UHFFFAOYSA-N 1 2 224.308 1.502 20 0 BDADLO c1cn2c([nH+]1)CN(Cc1ccccc1)CC2 ZINC000089211627 383946727 /nfs/dbraw/zinc/94/67/27/383946727.db2.gz FBQMDRVUNVOOTG-UHFFFAOYSA-N 1 2 213.284 1.899 20 0 BDADLO Cc1cc[nH+]c(NCCc2nc[nH]n2)c1 ZINC000070646481 383949178 /nfs/dbraw/zinc/94/91/78/383949178.db2.gz PHJFRMBIEDQKJX-UHFFFAOYSA-N 1 2 203.249 1.163 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccsc1 ZINC000070650722 383951543 /nfs/dbraw/zinc/95/15/43/383951543.db2.gz HSDDXZXGUGSDLG-UHFFFAOYSA-N 1 2 221.285 1.743 20 0 BDADLO CCC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650831 383952609 /nfs/dbraw/zinc/95/26/09/383952609.db2.gz SRQLXQVDJGFJKN-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO Cc1nc(Cl)cc(NCc2[nH+]ccn2C)n1 ZINC000070798361 383963116 /nfs/dbraw/zinc/96/31/16/383963116.db2.gz FSNWZUJJYBUGSI-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO Cc1ccc(C)c(OC[C@@H](O)Cn2cc[nH+]c2)c1 ZINC000068045720 383970145 /nfs/dbraw/zinc/97/01/45/383970145.db2.gz WSVAHYYASDUJMG-ZDUSSCGKSA-N 1 2 246.310 1.940 20 0 BDADLO Cn1nncc1C[NH+]1CC2(CCC2(F)F)C1 ZINC000336501222 384021114 /nfs/dbraw/zinc/02/11/14/384021114.db2.gz LCXRTCWNCNFHLR-UHFFFAOYSA-N 1 2 228.246 1.046 20 0 BDADLO C[C@H](C(=O)Nc1cccnc1)[NH+]1CC(C)C1 ZINC000518559754 384009969 /nfs/dbraw/zinc/00/99/69/384009969.db2.gz HJOHEZYDMLMOKD-SNVBAGLBSA-N 1 2 219.288 1.360 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cccc(Cl)n1 ZINC000075619307 384051436 /nfs/dbraw/zinc/05/14/36/384051436.db2.gz AHXGZWJHJZHQBA-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(Cl)n1 ZINC000075619307 384051440 /nfs/dbraw/zinc/05/14/40/384051440.db2.gz AHXGZWJHJZHQBA-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO COc1ncncc1C[NH2+]Cc1cnc(C)o1 ZINC000647217512 384039088 /nfs/dbraw/zinc/03/90/88/384039088.db2.gz URUFXMJUAUBKMO-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO CCOC[C@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000069277596 384039629 /nfs/dbraw/zinc/03/96/29/384039629.db2.gz MEJXNPCGZYZJHS-LLVKDONJSA-N 1 2 234.299 1.742 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000049773562 384042612 /nfs/dbraw/zinc/04/26/12/384042612.db2.gz GELSSVRKQOGLPO-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000049773562 384042618 /nfs/dbraw/zinc/04/26/18/384042618.db2.gz GELSSVRKQOGLPO-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO CCOc1cc(N[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000090793477 384075960 /nfs/dbraw/zinc/07/59/60/384075960.db2.gz JAVOIHNDSGDANB-JTQLQIEISA-N 1 2 247.302 1.572 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403700144 384101219 /nfs/dbraw/zinc/10/12/19/384101219.db2.gz CEYQQUJGGAESFT-OPRDCNLKSA-N 1 2 219.288 1.462 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccsc1 ZINC000050066425 384104541 /nfs/dbraw/zinc/10/45/41/384104541.db2.gz SZXLHFCPLFSPLK-UHFFFAOYSA-N 1 2 213.302 1.743 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccsc1 ZINC000050066425 384104547 /nfs/dbraw/zinc/10/45/47/384104547.db2.gz SZXLHFCPLFSPLK-UHFFFAOYSA-N 1 2 213.302 1.743 20 0 BDADLO CC[N@H+](CCc1ccccn1)CC(=O)OC ZINC000050066192 384105097 /nfs/dbraw/zinc/10/50/97/384105097.db2.gz XDAQGZIOCYAWPJ-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CC[N@@H+](CCc1ccccn1)CC(=O)OC ZINC000050066192 384105100 /nfs/dbraw/zinc/10/51/00/384105100.db2.gz XDAQGZIOCYAWPJ-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H]1CO ZINC000050114264 384111864 /nfs/dbraw/zinc/11/18/64/384111864.db2.gz KKIWBXVFNQGSAC-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H]1CO ZINC000050114264 384111873 /nfs/dbraw/zinc/11/18/73/384111873.db2.gz KKIWBXVFNQGSAC-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO CC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000569470539 384093560 /nfs/dbraw/zinc/09/35/60/384093560.db2.gz BTBUVURNAMRGGC-GFCCVEGCSA-N 1 2 218.300 1.488 20 0 BDADLO CC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000569470539 384093569 /nfs/dbraw/zinc/09/35/69/384093569.db2.gz BTBUVURNAMRGGC-GFCCVEGCSA-N 1 2 218.300 1.488 20 0 BDADLO CC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000569470540 384094052 /nfs/dbraw/zinc/09/40/52/384094052.db2.gz BTBUVURNAMRGGC-LBPRGKRZSA-N 1 2 218.300 1.488 20 0 BDADLO CC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000569470540 384094057 /nfs/dbraw/zinc/09/40/57/384094057.db2.gz BTBUVURNAMRGGC-LBPRGKRZSA-N 1 2 218.300 1.488 20 0 BDADLO C[N@H+](CCOc1ccccc1)[C@H]1CCOC1=O ZINC000070737527 384135043 /nfs/dbraw/zinc/13/50/43/384135043.db2.gz UMZRZDKHPDWQPZ-LBPRGKRZSA-N 1 2 235.283 1.313 20 0 BDADLO C[N@@H+](CCOc1ccccc1)[C@H]1CCOC1=O ZINC000070737527 384135046 /nfs/dbraw/zinc/13/50/46/384135046.db2.gz UMZRZDKHPDWQPZ-LBPRGKRZSA-N 1 2 235.283 1.313 20 0 BDADLO C[C@H]([NH2+]Cc1cnc[nH]1)c1cncc(F)c1 ZINC000227772753 134394046 /nfs/dbraw/zinc/39/40/46/134394046.db2.gz OGNLRHKDYJCHEZ-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO Cc1cnc(C)nc1N1CCn2c[nH+]cc2C1 ZINC000517391162 384161226 /nfs/dbraw/zinc/16/12/26/384161226.db2.gz OBFFJXTVCJWSPQ-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO C[N@H+](CCOc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000092617095 384185990 /nfs/dbraw/zinc/18/59/90/384185990.db2.gz FVYPKRPOCKNUDB-UHFFFAOYSA-N 1 2 248.286 1.021 20 0 BDADLO C[N@@H+](CCOc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000092617095 384185992 /nfs/dbraw/zinc/18/59/92/384185992.db2.gz FVYPKRPOCKNUDB-UHFFFAOYSA-N 1 2 248.286 1.021 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1O ZINC000092405309 384178341 /nfs/dbraw/zinc/17/83/41/384178341.db2.gz ZXKCJTKOXMUKCZ-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1O ZINC000092405309 384178347 /nfs/dbraw/zinc/17/83/47/384178347.db2.gz ZXKCJTKOXMUKCZ-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]2c2ccccc2)[nH]1 ZINC000092616747 384185854 /nfs/dbraw/zinc/18/58/54/384185854.db2.gz VEKKEINVIILIGK-NSHDSACASA-N 1 2 244.298 1.435 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]2c2ccccc2)[nH]1 ZINC000092616747 384185855 /nfs/dbraw/zinc/18/58/55/384185855.db2.gz VEKKEINVIILIGK-NSHDSACASA-N 1 2 244.298 1.435 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000093055364 384206954 /nfs/dbraw/zinc/20/69/54/384206954.db2.gz RZLJOZICSVYEMV-CYBMUJFWSA-N 1 2 248.326 1.349 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000093055364 384206955 /nfs/dbraw/zinc/20/69/55/384206955.db2.gz RZLJOZICSVYEMV-CYBMUJFWSA-N 1 2 248.326 1.349 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC000092618205 384186101 /nfs/dbraw/zinc/18/61/01/384186101.db2.gz LLYIZPDIBKJKKA-LLVKDONJSA-N 1 2 244.298 1.088 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC000092618205 384186109 /nfs/dbraw/zinc/18/61/09/384186109.db2.gz LLYIZPDIBKJKKA-LLVKDONJSA-N 1 2 244.298 1.088 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093055324 384208440 /nfs/dbraw/zinc/20/84/40/384208440.db2.gz PWFRUVRQZIYEDC-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO O=C1C[N@H+](Cc2ccco2)[C@H]2CCCC[C@H]2N1 ZINC000092703370 384189230 /nfs/dbraw/zinc/18/92/30/384189230.db2.gz ZSSZETHXUFFWQV-NEPJUHHUSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccco2)[C@H]2CCCC[C@H]2N1 ZINC000092703370 384189234 /nfs/dbraw/zinc/18/92/34/384189234.db2.gz ZSSZETHXUFFWQV-NEPJUHHUSA-N 1 2 234.299 1.523 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C1CC1 ZINC000370761862 384191393 /nfs/dbraw/zinc/19/13/93/384191393.db2.gz XZVIHJXQPOIPEV-LBPRGKRZSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000631141997 384194395 /nfs/dbraw/zinc/19/43/95/384194395.db2.gz ZUEYQODXNKOOQG-OCCSQVGLSA-N 1 2 246.310 1.710 20 0 BDADLO Cc1ccoc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093055324 384208444 /nfs/dbraw/zinc/20/84/44/384208444.db2.gz PWFRUVRQZIYEDC-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132417689 384231664 /nfs/dbraw/zinc/23/16/64/384231664.db2.gz MQENTGWLZBJJAZ-GFCCVEGCSA-N 1 2 249.358 1.770 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132417689 384231674 /nfs/dbraw/zinc/23/16/74/384231674.db2.gz MQENTGWLZBJJAZ-GFCCVEGCSA-N 1 2 249.358 1.770 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cn[nH]c1 ZINC000082523301 384235304 /nfs/dbraw/zinc/23/53/04/384235304.db2.gz XFYUOMSFKHNSCG-UHFFFAOYSA-N 1 2 202.217 1.365 20 0 BDADLO Cc1noc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072357328 384215063 /nfs/dbraw/zinc/21/50/63/384215063.db2.gz WZKJIFHMXKJNPR-SNVBAGLBSA-N 1 2 247.302 1.449 20 0 BDADLO C[C@H]1OCCN(c2cc[nH+]c(C3CC3)n2)[C@@H]1C ZINC000132187338 384220970 /nfs/dbraw/zinc/22/09/70/384220970.db2.gz KAAGLNSLOOILLQ-NXEZZACHSA-N 1 2 233.315 1.968 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCCC12CCC2 ZINC000336621327 384244008 /nfs/dbraw/zinc/24/40/08/384244008.db2.gz QAEKIDYVXMPLAV-UHFFFAOYSA-N 1 2 248.330 1.648 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnccn2)CCO1 ZINC000560604214 384246277 /nfs/dbraw/zinc/24/62/77/384246277.db2.gz BWZQCTYDUQUMSQ-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnccn2)CCO1 ZINC000560604214 384246280 /nfs/dbraw/zinc/24/62/80/384246280.db2.gz BWZQCTYDUQUMSQ-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO C[N@@H+](Cc1ccco1)C[C@H](O)C(F)(F)F ZINC000082680101 384256250 /nfs/dbraw/zinc/25/62/50/384256250.db2.gz IHOFEPVQDSKRHC-QMMMGPOBSA-N 1 2 223.194 1.635 20 0 BDADLO C[N@H+](Cc1ccco1)C[C@H](O)C(F)(F)F ZINC000082680101 384256258 /nfs/dbraw/zinc/25/62/58/384256258.db2.gz IHOFEPVQDSKRHC-QMMMGPOBSA-N 1 2 223.194 1.635 20 0 BDADLO CN(CC1CC1)C(=O)NCCCn1cc[nH+]c1 ZINC000119348923 384262320 /nfs/dbraw/zinc/26/23/20/384262320.db2.gz VIFHKBUIQSMSFP-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@H]2C)nc(N)[nH+]1 ZINC000304402227 384278382 /nfs/dbraw/zinc/27/83/82/384278382.db2.gz BABPMWVLAPWFMS-APPZFPTMSA-N 1 2 221.308 1.610 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000093771849 384268628 /nfs/dbraw/zinc/26/86/28/384268628.db2.gz IFXPKFWPXKUPKI-GFCCVEGCSA-N 1 2 235.331 1.126 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000093771849 384268635 /nfs/dbraw/zinc/26/86/35/384268635.db2.gz IFXPKFWPXKUPKI-GFCCVEGCSA-N 1 2 235.331 1.126 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000119430015 384270128 /nfs/dbraw/zinc/27/01/28/384270128.db2.gz FPBOKUGSVWJBKT-LBPRGKRZSA-N 1 2 243.310 1.803 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)[C@H](C)CO)C(=O)OC ZINC000300007797 384276270 /nfs/dbraw/zinc/27/62/70/384276270.db2.gz GHSQBVCQZFWKFW-MXWKQRLJSA-N 1 2 231.336 1.325 20 0 BDADLO CCN(CCO)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119166381 384241485 /nfs/dbraw/zinc/24/14/85/384241485.db2.gz ZXOKOISHCRLTHH-UHFFFAOYSA-N 1 2 223.276 1.236 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000304402227 384278388 /nfs/dbraw/zinc/27/83/88/384278388.db2.gz BABPMWVLAPWFMS-APPZFPTMSA-N 1 2 221.308 1.610 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(F)cn1 ZINC000159223619 384311117 /nfs/dbraw/zinc/31/11/17/384311117.db2.gz SBBQGZVTCIEWJK-QMMMGPOBSA-N 1 2 221.239 1.313 20 0 BDADLO CC(=O)CC1(C(=O)NCc2c[nH+]cn2C)CCC1 ZINC000292748049 384311657 /nfs/dbraw/zinc/31/16/57/384311657.db2.gz QSYURKYSRYKSCB-UHFFFAOYSA-N 1 2 249.314 1.186 20 0 BDADLO Cc1nnc(NCCCn2cc[nH+]c2)s1 ZINC000083583800 384313139 /nfs/dbraw/zinc/31/31/39/384313139.db2.gz HJCBCUBTPOJAQY-UHFFFAOYSA-N 1 2 223.305 1.545 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1csnn1 ZINC000401939981 384314478 /nfs/dbraw/zinc/31/44/78/384314478.db2.gz FMSQTZJWTOQURI-GJMOJQLCSA-N 1 2 213.306 1.366 20 0 BDADLO Cc1nsc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000083648325 384316237 /nfs/dbraw/zinc/31/62/37/384316237.db2.gz JWZDIIYTVAPFQK-ZETCQYMHSA-N 1 2 223.305 1.544 20 0 BDADLO CC[S@@](=O)Cc1cn2ccccc2[nH+]1 ZINC000133302313 384282244 /nfs/dbraw/zinc/28/22/44/384282244.db2.gz VENYTZACXINFFJ-AWEZNQCLSA-N 1 2 208.286 1.603 20 0 BDADLO Cc1nc(NCCc2cccs2)nc(N)[nH+]1 ZINC000304418045 384283364 /nfs/dbraw/zinc/28/33/64/384283364.db2.gz DCCYCUGHZFQLAK-UHFFFAOYSA-N 1 2 235.316 1.478 20 0 BDADLO Cc1nc(N)nc(NCCc2cccs2)[nH+]1 ZINC000304418045 384283372 /nfs/dbraw/zinc/28/33/72/384283372.db2.gz DCCYCUGHZFQLAK-UHFFFAOYSA-N 1 2 235.316 1.478 20 0 BDADLO COCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000049276139 384286369 /nfs/dbraw/zinc/28/63/69/384286369.db2.gz HJKTYGHGWRRSQE-UHFFFAOYSA-N 1 2 231.255 1.662 20 0 BDADLO COc1cc(C)[nH+]c(Cn2ccnc2)c1 ZINC000214347104 384289301 /nfs/dbraw/zinc/28/93/01/384289301.db2.gz YONFMTZZUPARBZ-UHFFFAOYSA-N 1 2 203.245 1.643 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cncs2)cn1 ZINC000119673228 384296225 /nfs/dbraw/zinc/29/62/25/384296225.db2.gz UQIKZUOCMUVXFJ-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cncs2)cn1 ZINC000119673228 384296230 /nfs/dbraw/zinc/29/62/30/384296230.db2.gz UQIKZUOCMUVXFJ-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000428010926 384300245 /nfs/dbraw/zinc/30/02/45/384300245.db2.gz NMYRFPONHDLTLO-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120263974 384344646 /nfs/dbraw/zinc/34/46/46/384344646.db2.gz HUAVVJJVSDTODR-UHFFFAOYSA-N 1 2 243.738 1.199 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120263974 384344651 /nfs/dbraw/zinc/34/46/51/384344651.db2.gz HUAVVJJVSDTODR-UHFFFAOYSA-N 1 2 243.738 1.199 20 0 BDADLO C[C@H]1C[C@H](C)N(c2nc[nH+]c(N)c2Cl)C1 ZINC000235691741 384349020 /nfs/dbraw/zinc/34/90/20/384349020.db2.gz NNLOQCLMQHQRLE-BQBZGAKWSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@H]1C[C@H](C)N(c2[nH+]cnc(N)c2Cl)C1 ZINC000235691741 384349028 /nfs/dbraw/zinc/34/90/28/384349028.db2.gz NNLOQCLMQHQRLE-BQBZGAKWSA-N 1 2 226.711 1.947 20 0 BDADLO CC[C@H](C)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304533017 384370657 /nfs/dbraw/zinc/37/06/57/384370657.db2.gz UOUNCNCUSMEXRY-YUMQZZPRSA-N 1 2 223.324 1.999 20 0 BDADLO CC[C@H](C)C[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304533017 384370662 /nfs/dbraw/zinc/37/06/62/384370662.db2.gz UOUNCNCUSMEXRY-YUMQZZPRSA-N 1 2 223.324 1.999 20 0 BDADLO Cc1nc(NCC2CCCCC2)nc(N)[nH+]1 ZINC000304490399 384329113 /nfs/dbraw/zinc/32/91/13/384329113.db2.gz PFEQFESTJRGJGZ-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO Cc1nc(N)nc(NCC2CCCCC2)[nH+]1 ZINC000304490399 384329119 /nfs/dbraw/zinc/32/91/19/384329119.db2.gz PFEQFESTJRGJGZ-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000332679489 384331381 /nfs/dbraw/zinc/33/13/81/384331381.db2.gz SNZJBLKGUCRDPF-JTQLQIEISA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000332679489 384331387 /nfs/dbraw/zinc/33/13/87/384331387.db2.gz SNZJBLKGUCRDPF-JTQLQIEISA-N 1 2 238.335 1.033 20 0 BDADLO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)OC ZINC000121049505 384395265 /nfs/dbraw/zinc/39/52/65/384395265.db2.gz FFEIGVGNWANTOU-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)OC ZINC000121049505 384395270 /nfs/dbraw/zinc/39/52/70/384395270.db2.gz FFEIGVGNWANTOU-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO C[C@@]1(O)CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235431006 384396561 /nfs/dbraw/zinc/39/65/61/384396561.db2.gz APTNSXIUARUKJT-SNVBAGLBSA-N 1 2 242.710 1.063 20 0 BDADLO C[C@@]1(O)CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235431006 384396566 /nfs/dbraw/zinc/39/65/66/384396566.db2.gz APTNSXIUARUKJT-SNVBAGLBSA-N 1 2 242.710 1.063 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2ccncc2)n1 ZINC000121497322 384420423 /nfs/dbraw/zinc/42/04/23/384420423.db2.gz KLMHIPFPTKDYIR-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2ccncc2)n1 ZINC000121497322 384420426 /nfs/dbraw/zinc/42/04/26/384420426.db2.gz KLMHIPFPTKDYIR-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CC[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000302628428 384422525 /nfs/dbraw/zinc/42/25/25/384422525.db2.gz PSNWOXARZBAYDW-SNVBAGLBSA-N 1 2 235.335 1.779 20 0 BDADLO CC[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000302628428 384422530 /nfs/dbraw/zinc/42/25/30/384422530.db2.gz PSNWOXARZBAYDW-SNVBAGLBSA-N 1 2 235.335 1.779 20 0 BDADLO Cc1ccc(NCc2ccnn2C)c[nH+]1 ZINC000096033333 384424854 /nfs/dbraw/zinc/42/48/54/384424854.db2.gz NSZQCKTWGSLBDI-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120701966 384375728 /nfs/dbraw/zinc/37/57/28/384375728.db2.gz FRIHFNFDJPJAAV-MNOVXSKESA-N 1 2 249.314 1.642 20 0 BDADLO CC(C)(C)CCC(=O)NCCn1cc[nH+]c1 ZINC000078037951 384429914 /nfs/dbraw/zinc/42/99/14/384429914.db2.gz NNNWTJFFGLYKKI-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CSCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000122158182 384463159 /nfs/dbraw/zinc/46/31/59/384463159.db2.gz NGYYXKJMSJRFLU-UHFFFAOYSA-N 1 2 227.333 1.559 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516876 384468248 /nfs/dbraw/zinc/46/82/48/384468248.db2.gz SRMGCAFOZCSSKA-LBPRGKRZSA-N 1 2 235.331 1.495 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000647516876 384468253 /nfs/dbraw/zinc/46/82/53/384468253.db2.gz SRMGCAFOZCSSKA-LBPRGKRZSA-N 1 2 235.331 1.495 20 0 BDADLO COC[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000078957907 384474224 /nfs/dbraw/zinc/47/42/24/384474224.db2.gz XZELAJJHLLBOPE-ZETCQYMHSA-N 1 2 238.316 1.490 20 0 BDADLO CCN(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000136052777 384479202 /nfs/dbraw/zinc/47/92/02/384479202.db2.gz VMHSKBLWNKLBHK-JTQLQIEISA-N 1 2 224.308 1.323 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2C)cc1F ZINC000330703555 384481917 /nfs/dbraw/zinc/48/19/17/384481917.db2.gz LDLIKIGJVZALKB-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000561108184 384502418 /nfs/dbraw/zinc/50/24/18/384502418.db2.gz QXTQMZCNLROUIO-NSHDSACASA-N 1 2 248.326 1.974 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H]1F ZINC000568215409 384511107 /nfs/dbraw/zinc/51/11/07/384511107.db2.gz USUUCKCHJXWBJG-IEBDPFPHSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@H]1F ZINC000568215409 384511115 /nfs/dbraw/zinc/51/11/15/384511115.db2.gz USUUCKCHJXWBJG-IEBDPFPHSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@]1(O)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000161647653 384512610 /nfs/dbraw/zinc/51/26/10/384512610.db2.gz UFWBIDFXIIKHEK-ZDUSSCGKSA-N 1 2 231.299 1.914 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)(C)C ZINC000330968645 384552328 /nfs/dbraw/zinc/55/23/28/384552328.db2.gz SEWMBLFWMXASKQ-VIFPVBQESA-N 1 2 223.320 1.751 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000019885336 384553233 /nfs/dbraw/zinc/55/32/33/384553233.db2.gz GGEBRSXPLRWCKE-LLVKDONJSA-N 1 2 207.273 1.900 20 0 BDADLO CSCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000363886924 384559548 /nfs/dbraw/zinc/55/95/48/384559548.db2.gz YTUGHULUZCPDSR-NSHDSACASA-N 1 2 248.355 1.847 20 0 BDADLO CN(C)c1ccc(NCc2ncc[nH]2)c[nH+]1 ZINC000049715048 384560003 /nfs/dbraw/zinc/56/00/03/384560003.db2.gz SORMSWQFPFSZHM-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000335092370 384537176 /nfs/dbraw/zinc/53/71/76/384537176.db2.gz AOSNPQMZFZDSGU-CMPLNLGQSA-N 1 2 235.331 1.863 20 0 BDADLO CCN(CC(=O)OC)Cc1cn2ccccc2[nH+]1 ZINC000049949482 384578844 /nfs/dbraw/zinc/57/88/44/384578844.db2.gz YLIBORKGJCLIDG-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO Cn1nncc1C[N@H+](C)Cc1ccco1 ZINC000162137145 384578671 /nfs/dbraw/zinc/57/86/71/384578671.db2.gz GGNSNSXWGFUXQO-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO Cn1nncc1C[N@@H+](C)Cc1ccco1 ZINC000162137145 384578674 /nfs/dbraw/zinc/57/86/74/384578674.db2.gz GGNSNSXWGFUXQO-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000049956398 384580292 /nfs/dbraw/zinc/58/02/92/384580292.db2.gz UUQBWSXSHKPLIK-SNVBAGLBSA-N 1 2 237.299 1.689 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000049956398 384580297 /nfs/dbraw/zinc/58/02/97/384580297.db2.gz UUQBWSXSHKPLIK-SNVBAGLBSA-N 1 2 237.299 1.689 20 0 BDADLO CC(=O)N1CCC(Nc2nc(C)[nH+]cc2C)CC1 ZINC000568242237 384582256 /nfs/dbraw/zinc/58/22/56/384582256.db2.gz AGRUKHDGYVYRFB-UHFFFAOYSA-N 1 2 248.330 1.516 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000050047788 384585766 /nfs/dbraw/zinc/58/57/66/384585766.db2.gz RJENHBMNHXEOAP-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000050047788 384585770 /nfs/dbraw/zinc/58/57/70/384585770.db2.gz RJENHBMNHXEOAP-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(C)noc1C ZINC000050048834 384586305 /nfs/dbraw/zinc/58/63/05/384586305.db2.gz BFOACIISNBRWDY-LLVKDONJSA-N 1 2 238.287 1.429 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1c(C)noc1C ZINC000050048834 384586316 /nfs/dbraw/zinc/58/63/16/384586316.db2.gz BFOACIISNBRWDY-LLVKDONJSA-N 1 2 238.287 1.429 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+](C)CCSC)n1 ZINC000138245907 384567022 /nfs/dbraw/zinc/56/70/22/384567022.db2.gz ZBVHYKQNFYBOSL-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCSC)n1 ZINC000138245907 384567028 /nfs/dbraw/zinc/56/70/28/384567028.db2.gz ZBVHYKQNFYBOSL-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)C1CC1 ZINC000428452550 384567552 /nfs/dbraw/zinc/56/75/52/384567552.db2.gz LXQFEGWUEXXZOV-UHFFFAOYSA-N 1 2 208.309 1.912 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C1CC1 ZINC000428452550 384567561 /nfs/dbraw/zinc/56/75/61/384567561.db2.gz LXQFEGWUEXXZOV-UHFFFAOYSA-N 1 2 208.309 1.912 20 0 BDADLO O=C(C[NH+]1CCSCC1)NC1CCCCC1 ZINC000103468656 384632858 /nfs/dbraw/zinc/63/28/58/384632858.db2.gz UCBKNMOBZKFJRD-UHFFFAOYSA-N 1 2 242.388 1.484 20 0 BDADLO CCC1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000561268626 384612599 /nfs/dbraw/zinc/61/25/99/384612599.db2.gz CRJHUIPTUXYXDD-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cccnc2)n1 ZINC000309800515 384621656 /nfs/dbraw/zinc/62/16/56/384621656.db2.gz RBXGXOMQHDOVJI-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO COC[C@@H]([NH2+]C1CCCCC1)C(=O)OC ZINC000196841535 384629942 /nfs/dbraw/zinc/62/99/42/384629942.db2.gz NMGLKLDRROGNBA-SNVBAGLBSA-N 1 2 215.293 1.097 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000172878765 384630960 /nfs/dbraw/zinc/63/09/60/384630960.db2.gz PIUSGEQVQYVTAH-CYBMUJFWSA-N 1 2 239.290 1.673 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000172878765 384630965 /nfs/dbraw/zinc/63/09/65/384630965.db2.gz PIUSGEQVQYVTAH-CYBMUJFWSA-N 1 2 239.290 1.673 20 0 BDADLO Cc1nc(N(C)[C@H]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000302666957 384631283 /nfs/dbraw/zinc/63/12/83/384631283.db2.gz ZQOQMHUPJJYOSI-WPRPVWTQSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1nc(N)nc(N(C)[C@H]2CCC[C@H](C)C2)[nH+]1 ZINC000302666957 384631292 /nfs/dbraw/zinc/63/12/92/384631292.db2.gz ZQOQMHUPJJYOSI-WPRPVWTQSA-N 1 2 235.335 1.777 20 0 BDADLO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000082333267 384669851 /nfs/dbraw/zinc/66/98/51/384669851.db2.gz JLJJEAQPXOELAS-ZDUSSCGKSA-N 1 2 246.310 1.922 20 0 BDADLO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000082333267 384669855 /nfs/dbraw/zinc/66/98/55/384669855.db2.gz JLJJEAQPXOELAS-ZDUSSCGKSA-N 1 2 246.310 1.922 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(O)c1 ZINC000042237519 384635360 /nfs/dbraw/zinc/63/53/60/384635360.db2.gz WMSXHOAIZITFIT-UHFFFAOYSA-N 1 2 245.282 1.327 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cnn(C)c1)C(C)C ZINC000048446392 384675340 /nfs/dbraw/zinc/67/53/40/384675340.db2.gz OKXTXTVAEBPONT-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000048446392 384675354 /nfs/dbraw/zinc/67/53/54/384675354.db2.gz OKXTXTVAEBPONT-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1F)c1c[nH]c[nH+]1 ZINC000647535259 384651519 /nfs/dbraw/zinc/65/15/19/384651519.db2.gz OMBMAUCZEPCQFB-DTWKUNHWSA-N 1 2 239.294 1.694 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCOCC12CC2 ZINC000335350706 384652517 /nfs/dbraw/zinc/65/25/17/384652517.db2.gz MLZHBZIXJMNLEP-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCOCC12CC2 ZINC000335350706 384652523 /nfs/dbraw/zinc/65/25/23/384652523.db2.gz MLZHBZIXJMNLEP-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1nc(C(=O)N2CC[NH+](C)CC2)c(C)s1 ZINC000082264821 384657268 /nfs/dbraw/zinc/65/72/68/384657268.db2.gz QKPDGIZSROBINN-UHFFFAOYSA-N 1 2 239.344 1.148 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccon1)CC2 ZINC000363712674 384726540 /nfs/dbraw/zinc/72/65/40/384726540.db2.gz MJYVOECZTMPWSZ-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000173632051 384699789 /nfs/dbraw/zinc/69/97/89/384699789.db2.gz QNMPQGRKYHSATM-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000173632051 384699793 /nfs/dbraw/zinc/69/97/93/384699793.db2.gz QNMPQGRKYHSATM-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)n1 ZINC000557048343 384775011 /nfs/dbraw/zinc/77/50/11/384775011.db2.gz WXBZGXZDJXMRKI-MRVPVSSYSA-N 1 2 245.286 1.308 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000185521624 384735676 /nfs/dbraw/zinc/73/56/76/384735676.db2.gz YIJOSEVCUPDTJO-AAEUAGOBSA-N 1 2 235.331 1.682 20 0 BDADLO CC(C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000052584970 384737332 /nfs/dbraw/zinc/73/73/32/384737332.db2.gz BXVDFRJVSZRLIE-UHFFFAOYSA-N 1 2 247.342 1.382 20 0 BDADLO Cc1cc(F)ccc1C[NH+]1CC(C)(O)C1 ZINC000163383498 384756056 /nfs/dbraw/zinc/75/60/56/384756056.db2.gz URGNDKNJOYSPGF-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO C[C@H]1OCC[C@H]1SCc1[nH+]ccn1C ZINC000163547653 384823044 /nfs/dbraw/zinc/82/30/44/384823044.db2.gz QWZORRBLESOYFB-RKDXNWHRSA-N 1 2 212.318 1.831 20 0 BDADLO C[C@H]([NH2+]Cc1cncs1)c1ccon1 ZINC000308586989 384826998 /nfs/dbraw/zinc/82/69/98/384826998.db2.gz ISSGATNHXXYEJU-ZETCQYMHSA-N 1 2 209.274 1.982 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335411092 384814020 /nfs/dbraw/zinc/81/40/20/384814020.db2.gz XOFTXMBGUOAQDG-GXSJLCMTSA-N 1 2 244.360 1.508 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335411092 384814029 /nfs/dbraw/zinc/81/40/29/384814029.db2.gz XOFTXMBGUOAQDG-GXSJLCMTSA-N 1 2 244.360 1.508 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000055082814 384869986 /nfs/dbraw/zinc/86/99/86/384869986.db2.gz YQKVVZHBNAEEEI-SECBINFHSA-N 1 2 236.315 1.687 20 0 BDADLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000055082814 384869992 /nfs/dbraw/zinc/86/99/92/384869992.db2.gz YQKVVZHBNAEEEI-SECBINFHSA-N 1 2 236.315 1.687 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000055082812 384871014 /nfs/dbraw/zinc/87/10/14/384871014.db2.gz YQKVVZHBNAEEEI-VIFPVBQESA-N 1 2 236.315 1.687 20 0 BDADLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000055082812 384871022 /nfs/dbraw/zinc/87/10/22/384871022.db2.gz YQKVVZHBNAEEEI-VIFPVBQESA-N 1 2 236.315 1.687 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000175180390 384874925 /nfs/dbraw/zinc/87/49/25/384874925.db2.gz VCMZMSRFZYWSIM-SCZZXKLOSA-N 1 2 242.344 1.417 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@H](O)C2)cs1 ZINC000175180390 384874933 /nfs/dbraw/zinc/87/49/33/384874933.db2.gz VCMZMSRFZYWSIM-SCZZXKLOSA-N 1 2 242.344 1.417 20 0 BDADLO CC[C@H](F)C[NH2+][C@H](C)c1nc(C)no1 ZINC000308626294 384875055 /nfs/dbraw/zinc/87/50/55/384875055.db2.gz WOYRWEWOZPWPIG-SVRRBLITSA-N 1 2 201.245 1.777 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2)s1 ZINC000127334925 384886327 /nfs/dbraw/zinc/88/63/27/384886327.db2.gz DPUAGFJIMXKJQO-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2)s1 ZINC000127334925 384886345 /nfs/dbraw/zinc/88/63/45/384886345.db2.gz DPUAGFJIMXKJQO-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO CC[C@@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363726528 384887502 /nfs/dbraw/zinc/88/75/02/384887502.db2.gz XMPLGADQBMMRTO-SNVBAGLBSA-N 1 2 216.288 1.900 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nnn(C)n2)cc1C ZINC000362959985 384842039 /nfs/dbraw/zinc/84/20/39/384842039.db2.gz HRIAOSPQGYSBOR-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO C[N@H+](CCc1ccccc1)Cc1nnc[nH]1 ZINC000174822687 384842805 /nfs/dbraw/zinc/84/28/05/384842805.db2.gz BDFONCAXJARMLU-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO C[N@@H+](CCc1ccccc1)Cc1nnc[nH]1 ZINC000174822687 384842815 /nfs/dbraw/zinc/84/28/15/384842815.db2.gz BDFONCAXJARMLU-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)no1 ZINC000105898317 384888664 /nfs/dbraw/zinc/88/86/64/384888664.db2.gz JVGDZDKXGPULRO-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)no1 ZINC000105898317 384888668 /nfs/dbraw/zinc/88/86/68/384888668.db2.gz JVGDZDKXGPULRO-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO CCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557449853 384951311 /nfs/dbraw/zinc/95/13/11/384951311.db2.gz GLNIYNKPPHRVJV-SNVBAGLBSA-N 1 2 221.304 1.362 20 0 BDADLO C[C@@H](O)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000085486259 384953722 /nfs/dbraw/zinc/95/37/22/384953722.db2.gz IZMZUCGREAUCEG-SSDOTTSWSA-N 1 2 234.221 1.917 20 0 BDADLO C[C@@H](C[N@@H+]1CCC[C@](C)(F)C1)S(C)(=O)=O ZINC000336267548 384904004 /nfs/dbraw/zinc/90/40/04/384904004.db2.gz WPBHNXRTPYZVQA-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@@H](C[N@H+]1CCC[C@](C)(F)C1)S(C)(=O)=O ZINC000336267548 384904011 /nfs/dbraw/zinc/90/40/11/384904011.db2.gz WPBHNXRTPYZVQA-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO COC[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000234858216 384905552 /nfs/dbraw/zinc/90/55/52/384905552.db2.gz BDHKGRKEXQFVGZ-NSHDSACASA-N 1 2 232.283 1.654 20 0 BDADLO CCOCCN(C)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635766095 384907461 /nfs/dbraw/zinc/90/74/61/384907461.db2.gz SSWGUVNKALBFQT-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO COC(C)(C)CN(C)c1cc(CO)cc[nH+]1 ZINC000404224798 384958863 /nfs/dbraw/zinc/95/88/63/384958863.db2.gz BALLTLZRRLEOKF-UHFFFAOYSA-N 1 2 224.304 1.435 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000175504764 384917832 /nfs/dbraw/zinc/91/78/32/384917832.db2.gz YQVAOZSSXGCWOV-LBPRGKRZSA-N 1 2 249.358 1.943 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000175504764 384917841 /nfs/dbraw/zinc/91/78/41/384917841.db2.gz YQVAOZSSXGCWOV-LBPRGKRZSA-N 1 2 249.358 1.943 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000187309499 384933156 /nfs/dbraw/zinc/93/31/56/384933156.db2.gz HMRFGXFLSOUXEY-AWEZNQCLSA-N 1 2 247.342 1.572 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000187309499 384933161 /nfs/dbraw/zinc/93/31/61/384933161.db2.gz HMRFGXFLSOUXEY-AWEZNQCLSA-N 1 2 247.342 1.572 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000187308057 384933435 /nfs/dbraw/zinc/93/34/35/384933435.db2.gz HRALRBPOUPBXLQ-AWEZNQCLSA-N 1 2 247.342 1.572 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000187308057 384933441 /nfs/dbraw/zinc/93/34/41/384933441.db2.gz HRALRBPOUPBXLQ-AWEZNQCLSA-N 1 2 247.342 1.572 20 0 BDADLO C[C@H](F)CCNc1cc[nH+]c(C2CC2)n1 ZINC000338759449 384946161 /nfs/dbraw/zinc/94/61/61/384946161.db2.gz YFXUXWZSRCCEBJ-QMMMGPOBSA-N 1 2 209.268 1.936 20 0 BDADLO Cn1c[nH+]cc1CNc1ncnc2c1CCCC2 ZINC000368628586 384964706 /nfs/dbraw/zinc/96/47/06/384964706.db2.gz PQBPAFYOEKYRPU-UHFFFAOYSA-N 1 2 243.314 1.123 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1c(F)cccc1F ZINC000127948828 384968025 /nfs/dbraw/zinc/96/80/25/384968025.db2.gz KTUBQEBBYGAXKW-UHFFFAOYSA-N 1 2 243.253 1.960 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1c(F)cccc1F ZINC000127948828 384968033 /nfs/dbraw/zinc/96/80/33/384968033.db2.gz KTUBQEBBYGAXKW-UHFFFAOYSA-N 1 2 243.253 1.960 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000336294636 384974900 /nfs/dbraw/zinc/97/49/00/384974900.db2.gz PQGCNADCTCDQNF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000336294636 384974905 /nfs/dbraw/zinc/97/49/05/384974905.db2.gz PQGCNADCTCDQNF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000336294636 384974912 /nfs/dbraw/zinc/97/49/12/384974912.db2.gz PQGCNADCTCDQNF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000336294636 384974918 /nfs/dbraw/zinc/97/49/18/384974918.db2.gz PQGCNADCTCDQNF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000336294636 384974928 /nfs/dbraw/zinc/97/49/28/384974928.db2.gz PQGCNADCTCDQNF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000336294636 384974934 /nfs/dbraw/zinc/97/49/34/384974934.db2.gz PQGCNADCTCDQNF-NSHDSACASA-N 1 2 238.360 1.524 20 0 BDADLO CSC[C@@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000187738410 384975076 /nfs/dbraw/zinc/97/50/76/384975076.db2.gz LAPARSIMUZUVJY-JTQLQIEISA-N 1 2 230.333 1.139 20 0 BDADLO CSC[C@@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000187738410 384975083 /nfs/dbraw/zinc/97/50/83/384975083.db2.gz LAPARSIMUZUVJY-JTQLQIEISA-N 1 2 230.333 1.139 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568651719 384975636 /nfs/dbraw/zinc/97/56/36/384975636.db2.gz HKHRABQPQNTVQA-UTLUCORTSA-N 1 2 221.304 1.879 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cc(F)cc(F)c1 ZINC000128027363 384982492 /nfs/dbraw/zinc/98/24/92/384982492.db2.gz VAKXJWWHQCSBET-UHFFFAOYSA-N 1 2 243.253 1.960 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cc(F)cc(F)c1 ZINC000128027363 384982495 /nfs/dbraw/zinc/98/24/95/384982495.db2.gz VAKXJWWHQCSBET-UHFFFAOYSA-N 1 2 243.253 1.960 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)n(C)n1 ZINC000557516386 384995231 /nfs/dbraw/zinc/99/52/31/384995231.db2.gz UNGWPTIBKRKJMP-JTQLQIEISA-N 1 2 236.319 1.007 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCCO1 ZINC000128122162 384997478 /nfs/dbraw/zinc/99/74/78/384997478.db2.gz KXHBGSMGCCCBGX-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000128122162 384997482 /nfs/dbraw/zinc/99/74/82/384997482.db2.gz KXHBGSMGCCCBGX-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccno2)sn1 ZINC000404442036 385007033 /nfs/dbraw/zinc/00/70/33/385007033.db2.gz ADAYDCOOVMGHFB-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CCc1ccc(C[N@H+](CC)CC(N)=O)o1 ZINC000188070300 385010099 /nfs/dbraw/zinc/01/00/99/385010099.db2.gz GSYGLZOCMMGKGK-UHFFFAOYSA-N 1 2 210.277 1.149 20 0 BDADLO CCc1ccc(C[N@@H+](CC)CC(N)=O)o1 ZINC000188070300 385010102 /nfs/dbraw/zinc/01/01/02/385010102.db2.gz GSYGLZOCMMGKGK-UHFFFAOYSA-N 1 2 210.277 1.149 20 0 BDADLO CSCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302770662 385018338 /nfs/dbraw/zinc/01/83/38/385018338.db2.gz BZMTWYOSZDBGFI-UHFFFAOYSA-N 1 2 238.360 1.852 20 0 BDADLO CSCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302770662 385018348 /nfs/dbraw/zinc/01/83/48/385018348.db2.gz BZMTWYOSZDBGFI-UHFFFAOYSA-N 1 2 238.360 1.852 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000334150018 385054765 /nfs/dbraw/zinc/05/47/65/385054765.db2.gz IKTWNWXTDCAUAF-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000334150018 385054771 /nfs/dbraw/zinc/05/47/71/385054771.db2.gz IKTWNWXTDCAUAF-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1C2CCC1CC2 ZINC000557670010 385084030 /nfs/dbraw/zinc/08/40/30/385084030.db2.gz QXMBDKPPYQVXFG-VOMCLLRMSA-N 1 2 245.326 1.599 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCC2(C)CCC2)C1 ZINC000557635155 385061314 /nfs/dbraw/zinc/06/13/14/385061314.db2.gz FDASNAFAZHWVIF-UHFFFAOYSA-N 1 2 224.348 1.635 20 0 BDADLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000165081076 385066024 /nfs/dbraw/zinc/06/60/24/385066024.db2.gz FTBPPVZDSSVYJJ-PWSUYJOCSA-N 1 2 223.320 1.703 20 0 BDADLO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000647243086 385029887 /nfs/dbraw/zinc/02/98/87/385029887.db2.gz CXXXSCVBURGBET-ONGXEEELSA-N 1 2 211.309 1.296 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+](C)C[C@@H]1CCCO1 ZINC000568763093 385036859 /nfs/dbraw/zinc/03/68/59/385036859.db2.gz DGTKEEAQYMOMNB-UWVGGRQHSA-N 1 2 236.319 1.061 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000568763093 385036865 /nfs/dbraw/zinc/03/68/65/385036865.db2.gz DGTKEEAQYMOMNB-UWVGGRQHSA-N 1 2 236.319 1.061 20 0 BDADLO COC[C@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000644691106 385110717 /nfs/dbraw/zinc/11/07/17/385110717.db2.gz XTQGUAFJTDSKRU-CYBMUJFWSA-N 1 2 247.298 1.292 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](O)CC)C(=O)OC ZINC000304221285 385116011 /nfs/dbraw/zinc/11/60/11/385116011.db2.gz DZKXUQPALWELAU-GXSJLCMTSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000129170512 385116106 /nfs/dbraw/zinc/11/61/06/385116106.db2.gz DKFJDMKRJRCOPW-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000129170512 385116112 /nfs/dbraw/zinc/11/61/12/385116112.db2.gz DKFJDMKRJRCOPW-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO C[C@@H]([NH2+]CCF)c1cc2n(n1)CCCC2 ZINC000647302425 385116731 /nfs/dbraw/zinc/11/67/31/385116731.db2.gz YVBNNZGXPQNBFQ-SECBINFHSA-N 1 2 211.284 1.840 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1C=CCC1 ZINC000061513279 385119560 /nfs/dbraw/zinc/11/95/60/385119560.db2.gz QZZHNYZFWYKVJL-LLVKDONJSA-N 1 2 233.315 1.735 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@H](C)CO)s1 ZINC000644706137 385124793 /nfs/dbraw/zinc/12/47/93/385124793.db2.gz FIZOVLMSKGVDIM-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@H](C)CO)s1 ZINC000644706137 385124800 /nfs/dbraw/zinc/12/48/00/385124800.db2.gz FIZOVLMSKGVDIM-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000189261422 385136646 /nfs/dbraw/zinc/13/66/46/385136646.db2.gz OQCXICFESBDONL-MNOVXSKESA-N 1 2 249.314 1.671 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)OC ZINC000313000373 385099041 /nfs/dbraw/zinc/09/90/41/385099041.db2.gz XOBCOLGEQAFSAQ-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000152515494 385189301 /nfs/dbraw/zinc/18/93/01/385189301.db2.gz XNNKPCBIIQUWNH-LBPRGKRZSA-N 1 2 233.315 1.182 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000152515494 385189303 /nfs/dbraw/zinc/18/93/03/385189303.db2.gz XNNKPCBIIQUWNH-LBPRGKRZSA-N 1 2 233.315 1.182 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1cccc(O)c1 ZINC000189840468 385191900 /nfs/dbraw/zinc/19/19/00/385191900.db2.gz CQUNCHLNOLAMFA-BDAKNGLRSA-N 1 2 247.302 1.328 20 0 BDADLO CCOc1cncc(NCc2c[nH+]cn2CC)n1 ZINC000647645083 385195682 /nfs/dbraw/zinc/19/56/82/385195682.db2.gz ZCNMQCOSILDVTI-UHFFFAOYSA-N 1 2 247.302 1.704 20 0 BDADLO Cn1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000152046489 385151813 /nfs/dbraw/zinc/15/18/13/385151813.db2.gz GAQRYDLAXLVMFI-LBPRGKRZSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cn1 ZINC000152046489 385151818 /nfs/dbraw/zinc/15/18/18/385151818.db2.gz GAQRYDLAXLVMFI-LBPRGKRZSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cn1 ZINC000152046489 385151825 /nfs/dbraw/zinc/15/18/25/385151825.db2.gz GAQRYDLAXLVMFI-LBPRGKRZSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1c[nH+]cc1CN1CCc2ccccc21 ZINC000177227457 385200364 /nfs/dbraw/zinc/20/03/64/385200364.db2.gz FNNOMXVLOMKUSI-UHFFFAOYSA-N 1 2 213.284 1.983 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000177979061 385158990 /nfs/dbraw/zinc/15/89/90/385158990.db2.gz GPZASWRFYLOCNR-LBPRGKRZSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@](C)(O)C2)no1 ZINC000177979061 385158996 /nfs/dbraw/zinc/15/89/96/385158996.db2.gz GPZASWRFYLOCNR-LBPRGKRZSA-N 1 2 239.319 1.324 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000152380919 385178134 /nfs/dbraw/zinc/17/81/34/385178134.db2.gz NZVOJWFECOFFHL-SGRBOOSSSA-N 1 2 216.712 1.339 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000152380919 385178142 /nfs/dbraw/zinc/17/81/42/385178142.db2.gz NZVOJWFECOFFHL-SGRBOOSSSA-N 1 2 216.712 1.339 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1cccc(O)c1 ZINC000190034243 385206886 /nfs/dbraw/zinc/20/68/86/385206886.db2.gz HHQRYAVNSYOUBR-CQSZACIVSA-N 1 2 247.294 1.674 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cccc(O)c1 ZINC000190034243 385206889 /nfs/dbraw/zinc/20/68/89/385206889.db2.gz HHQRYAVNSYOUBR-CQSZACIVSA-N 1 2 247.294 1.674 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130522643 385256553 /nfs/dbraw/zinc/25/65/53/385256553.db2.gz YRGPURKMPOMUDL-VHSXEESVSA-N 1 2 237.299 1.474 20 0 BDADLO CCOCCO[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000157646282 385233122 /nfs/dbraw/zinc/23/31/22/385233122.db2.gz ZPSFDOZKZUNFFG-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO CCOCCO[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000157646282 385233128 /nfs/dbraw/zinc/23/31/28/385233128.db2.gz ZPSFDOZKZUNFFG-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO COC(=O)[C@@]1(C)CC[N@H+](CC(F)F)C1 ZINC000177433335 385240222 /nfs/dbraw/zinc/24/02/22/385240222.db2.gz TWAIITLWZSUDQB-VIFPVBQESA-N 1 2 207.220 1.137 20 0 BDADLO COC(=O)[C@@]1(C)CC[N@@H+](CC(F)F)C1 ZINC000177433335 385240233 /nfs/dbraw/zinc/24/02/33/385240233.db2.gz TWAIITLWZSUDQB-VIFPVBQESA-N 1 2 207.220 1.137 20 0 BDADLO CC[C@@H](C)OCC(=O)NCCCn1cc[nH+]c1 ZINC000130388902 385243575 /nfs/dbraw/zinc/24/35/75/385243575.db2.gz HBKYQQIOSXWSCJ-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CC[C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000570304718 385306624 /nfs/dbraw/zinc/30/66/24/385306624.db2.gz COTDXRNDMUWRIA-GHMZBOCLSA-N 1 2 237.347 1.904 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000307868258 385307456 /nfs/dbraw/zinc/30/74/56/385307456.db2.gz IFPNONCYHNUUDX-SSDOTTSWSA-N 1 2 221.247 1.525 20 0 BDADLO FC(F)(F)CSCC[NH2+]Cc1ccn[nH]1 ZINC000308954636 385307481 /nfs/dbraw/zinc/30/74/81/385307481.db2.gz WSHHPIJXZVOVRW-UHFFFAOYSA-N 1 2 239.266 1.795 20 0 BDADLO Cc1ccc(N[C@@H]2CCCS(=O)(=O)C2)c[nH+]1 ZINC000154254580 385313031 /nfs/dbraw/zinc/31/30/31/385313031.db2.gz KBSSAFMMMBNXKV-LLVKDONJSA-N 1 2 240.328 1.379 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CC(C)C)C(=O)OC ZINC000308963709 385315615 /nfs/dbraw/zinc/31/56/15/385315615.db2.gz TXHMDOHUJDZUJY-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1cn(C)nn1 ZINC000308903623 385277474 /nfs/dbraw/zinc/27/74/74/385277474.db2.gz KRVHQSHDJYJRSK-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO COC[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000308912565 385286944 /nfs/dbraw/zinc/28/69/44/385286944.db2.gz FAKVRAIVBTULAD-PSASIEDQSA-N 1 2 209.293 1.412 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)c1cc[nH+]c(C2CC2)n1 ZINC000166885615 385289685 /nfs/dbraw/zinc/28/96/85/385289685.db2.gz PLCDNNJHXMHARS-RYUDHWBXSA-N 1 2 247.342 1.951 20 0 BDADLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC000647312013 385294791 /nfs/dbraw/zinc/29/47/91/385294791.db2.gz FPILGLUFFSMBKY-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@@H]1O ZINC000167094938 385298314 /nfs/dbraw/zinc/29/83/14/385298314.db2.gz AODXCEAAVPBRFC-CABZTGNLSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)Cc1cccc(O)c1 ZINC000558095421 385299257 /nfs/dbraw/zinc/29/92/57/385299257.db2.gz GROUQTMIYCLGHB-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)Cc1cccc(O)c1 ZINC000558095421 385299262 /nfs/dbraw/zinc/29/92/62/385299262.db2.gz GROUQTMIYCLGHB-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO CN(CCn1cc[nH+]c1)CC(=O)OC(C)(C)C ZINC000130996646 385300464 /nfs/dbraw/zinc/30/04/64/385300464.db2.gz ZXXYAIOCURGTFF-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO Cc1ccc(C[NH+]2CCOCC2)cc1F ZINC000154505358 385331941 /nfs/dbraw/zinc/33/19/41/385331941.db2.gz NJCWSCGCAWQJQO-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO CSCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178085778 385332713 /nfs/dbraw/zinc/33/27/13/385332713.db2.gz HIGGENNACQWTDF-UHFFFAOYSA-N 1 2 227.333 1.095 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1CC=CC1 ZINC000154731763 385350711 /nfs/dbraw/zinc/35/07/11/385350711.db2.gz JWRSGJPSJAWRRM-UHFFFAOYSA-N 1 2 233.315 1.698 20 0 BDADLO COC(=O)C[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000131711509 385355626 /nfs/dbraw/zinc/35/56/26/385355626.db2.gz HQSBIERVVXLBKK-QMMMGPOBSA-N 1 2 236.271 1.528 20 0 BDADLO CC(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154783970 385355854 /nfs/dbraw/zinc/35/58/54/385355854.db2.gz FINGSZVHPVJLQV-UHFFFAOYSA-N 1 2 209.293 1.388 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC12CC2 ZINC000644794129 385359638 /nfs/dbraw/zinc/35/96/38/385359638.db2.gz UNEWBMSQHKNHCU-SNVBAGLBSA-N 1 2 219.288 1.332 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000180317836 385390053 /nfs/dbraw/zinc/39/00/53/385390053.db2.gz VGRSTSSLQPMFRI-TUAOUCFPSA-N 1 2 240.347 1.105 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000180317836 385390054 /nfs/dbraw/zinc/39/00/54/385390054.db2.gz VGRSTSSLQPMFRI-TUAOUCFPSA-N 1 2 240.347 1.105 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)COC(C)(C)C ZINC000158188896 385363201 /nfs/dbraw/zinc/36/32/01/385363201.db2.gz DFMULDRFOOUMBB-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc(F)cc1F ZINC000294996765 385363733 /nfs/dbraw/zinc/36/37/33/385363733.db2.gz NTUYWORYJHCSHB-ZETCQYMHSA-N 1 2 238.241 1.934 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1[C@@H]2CCC[C@H]12 ZINC000154955719 385366752 /nfs/dbraw/zinc/36/67/52/385366752.db2.gz CLQCWEZPSQLRJZ-FUNVUKJBSA-N 1 2 247.342 1.778 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000192990341 385381218 /nfs/dbraw/zinc/38/12/18/385381218.db2.gz RDGLFUFPOUMTQU-ONGXEEELSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000192990341 385381222 /nfs/dbraw/zinc/38/12/22/385381222.db2.gz RDGLFUFPOUMTQU-ONGXEEELSA-N 1 2 227.329 1.502 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364284675 385324961 /nfs/dbraw/zinc/32/49/61/385324961.db2.gz TXIWLLNUHJYXRJ-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1Cc1[nH+]ccn1C ZINC000178585608 385394172 /nfs/dbraw/zinc/39/41/72/385394172.db2.gz YYGYTEPEVJWBPR-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO Nc1ccc(CNC(=O)OCC(F)(F)F)c[nH+]1 ZINC000193686953 385408890 /nfs/dbraw/zinc/40/88/90/385408890.db2.gz BMVDLXOALPOSKF-UHFFFAOYSA-N 1 2 249.192 1.452 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1csc(Cl)n1 ZINC000295149614 385458368 /nfs/dbraw/zinc/45/83/68/385458368.db2.gz BIBPAWKQAPALEC-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1csc(Cl)n1 ZINC000295149614 385458372 /nfs/dbraw/zinc/45/83/72/385458372.db2.gz BIBPAWKQAPALEC-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H](C)OC)C1CC1 ZINC000182116365 385431370 /nfs/dbraw/zinc/43/13/70/385431370.db2.gz FBDFLCRNGHOQLW-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H](C)OC)C1CC1 ZINC000182116365 385431375 /nfs/dbraw/zinc/43/13/75/385431375.db2.gz FBDFLCRNGHOQLW-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H]([NH2+]Cc1noc(C)n1)[C@H]1CCCO1 ZINC000182272835 385435976 /nfs/dbraw/zinc/43/59/76/385435976.db2.gz SGXOAHIERYALLF-NXEZZACHSA-N 1 2 225.292 1.425 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364432672 385437901 /nfs/dbraw/zinc/43/79/01/385437901.db2.gz CZCYAUURRILTAT-WDEREUQCSA-N 1 2 241.331 1.175 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364432672 385437904 /nfs/dbraw/zinc/43/79/04/385437904.db2.gz CZCYAUURRILTAT-WDEREUQCSA-N 1 2 241.331 1.175 20 0 BDADLO COCc1cccc(C[N@H+](C)CC(=O)OC)c1 ZINC000179407743 385465088 /nfs/dbraw/zinc/46/50/88/385465088.db2.gz OLJHTBFOVAAOJU-UHFFFAOYSA-N 1 2 237.299 1.438 20 0 BDADLO COCc1cccc(C[N@@H+](C)CC(=O)OC)c1 ZINC000179407743 385465090 /nfs/dbraw/zinc/46/50/90/385465090.db2.gz OLJHTBFOVAAOJU-UHFFFAOYSA-N 1 2 237.299 1.438 20 0 BDADLO C1=C(C2CCOCC2)N2CC[NH+]=C2S1 ZINC000179725155 385488238 /nfs/dbraw/zinc/48/82/38/385488238.db2.gz QFUSGKQEFJFIAT-UHFFFAOYSA-N 1 2 210.302 1.673 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC2(CCC2)C1 ZINC000179584487 385475900 /nfs/dbraw/zinc/47/59/00/385475900.db2.gz SLGSMMVKASFPHT-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000156620533 385461885 /nfs/dbraw/zinc/46/18/85/385461885.db2.gz VENFJYXFYKJLOZ-SGRBOOSSSA-N 1 2 226.711 1.705 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC000156620533 385461887 /nfs/dbraw/zinc/46/18/87/385461887.db2.gz VENFJYXFYKJLOZ-SGRBOOSSSA-N 1 2 226.711 1.705 20 0 BDADLO CC(C)c1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC000110540288 385494301 /nfs/dbraw/zinc/49/43/01/385494301.db2.gz MKFHIMNLJDRHNJ-VIFPVBQESA-N 1 2 207.277 1.171 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1CCOCC1 ZINC000179863442 385495546 /nfs/dbraw/zinc/49/55/46/385495546.db2.gz SQUJSJBQRQRMNZ-UHFFFAOYSA-N 1 2 235.287 1.691 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619402 385501752 /nfs/dbraw/zinc/50/17/52/385501752.db2.gz JUSJFQYPQJBBGC-SECBINFHSA-N 1 2 243.310 1.400 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619402 385501757 /nfs/dbraw/zinc/50/17/57/385501757.db2.gz JUSJFQYPQJBBGC-SECBINFHSA-N 1 2 243.310 1.400 20 0 BDADLO CC[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000166525676 385508300 /nfs/dbraw/zinc/50/83/00/385508300.db2.gz GMINLRRPVROVAK-SNVBAGLBSA-N 1 2 206.289 1.810 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364743400 385508685 /nfs/dbraw/zinc/50/86/85/385508685.db2.gz QIHBQSJHLQHQNB-YPMHNXCESA-N 1 2 249.310 1.701 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364743400 385508688 /nfs/dbraw/zinc/50/86/88/385508688.db2.gz QIHBQSJHLQHQNB-YPMHNXCESA-N 1 2 249.310 1.701 20 0 BDADLO CCCCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000364744504 385508810 /nfs/dbraw/zinc/50/88/10/385508810.db2.gz BLZWUTOKYCVDDQ-NSHDSACASA-N 1 2 235.331 1.813 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1C/C=C/Cl ZINC000364738976 385508981 /nfs/dbraw/zinc/50/89/81/385508981.db2.gz NCKLPSRUVHPZLF-GGYDMKNQSA-N 1 2 243.734 1.809 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1C/C=C/Cl ZINC000364738976 385508987 /nfs/dbraw/zinc/50/89/87/385508987.db2.gz NCKLPSRUVHPZLF-GGYDMKNQSA-N 1 2 243.734 1.809 20 0 BDADLO c1ccc(N2CC[C@H](Nc3cnccn3)C2)[nH+]c1 ZINC000157661913 385513930 /nfs/dbraw/zinc/51/39/30/385513930.db2.gz XKSPRWITVBRNQA-NSHDSACASA-N 1 2 241.298 1.562 20 0 BDADLO Cn1cc(C[NH+]2CCC(C(F)F)CC2)nn1 ZINC000334193934 385518288 /nfs/dbraw/zinc/51/82/88/385518288.db2.gz STPUJEOGMPOEOD-UHFFFAOYSA-N 1 2 230.262 1.292 20 0 BDADLO COC(=O)COC[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000295812789 385530214 /nfs/dbraw/zinc/53/02/14/385530214.db2.gz UCQPDINKHGVWDP-SNVBAGLBSA-N 1 2 238.287 1.380 20 0 BDADLO C[C@@H]1[NH2+]CCC[C@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000643034898 385531023 /nfs/dbraw/zinc/53/10/23/385531023.db2.gz KGCRGMIEMBNIMP-DTWKUNHWSA-N 1 2 238.335 1.341 20 0 BDADLO COC[C@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171921807 385532347 /nfs/dbraw/zinc/53/23/47/385532347.db2.gz PLRCWEHJLKYKKN-SNVBAGLBSA-N 1 2 247.298 1.347 20 0 BDADLO FC(F)COCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000364892221 385535998 /nfs/dbraw/zinc/53/59/98/385535998.db2.gz FSQOEQNEJPRLLB-SECBINFHSA-N 1 2 245.273 1.828 20 0 BDADLO FC(F)COCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000364892221 385536003 /nfs/dbraw/zinc/53/60/03/385536003.db2.gz FSQOEQNEJPRLLB-SECBINFHSA-N 1 2 245.273 1.828 20 0 BDADLO COC[C@H]([NH2+]C1CCCCCC1)C(=O)OC ZINC000309421698 385576218 /nfs/dbraw/zinc/57/62/18/385576218.db2.gz CDIZLHKYZRRHIJ-NSHDSACASA-N 1 2 229.320 1.487 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC=C(F)C1 ZINC000364963812 385551340 /nfs/dbraw/zinc/55/13/40/385551340.db2.gz UMXZIOJIZVKFTG-SNVBAGLBSA-N 1 2 249.289 1.531 20 0 BDADLO c1cn2cc(C[N@@H+]3CCCOCC3)nc2s1 ZINC000334457741 385555412 /nfs/dbraw/zinc/55/54/12/385555412.db2.gz PTOQOVLJSZRXFS-UHFFFAOYSA-N 1 2 237.328 1.618 20 0 BDADLO c1cn2cc(C[N@H+]3CCCOCC3)nc2s1 ZINC000334457741 385555416 /nfs/dbraw/zinc/55/54/16/385555416.db2.gz PTOQOVLJSZRXFS-UHFFFAOYSA-N 1 2 237.328 1.618 20 0 BDADLO C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493294011 385560225 /nfs/dbraw/zinc/56/02/25/385560225.db2.gz VQHXUMCHEFLFOY-XDVGHUOJSA-N 1 2 247.220 1.738 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)n(C)n1 ZINC000107293773 385561086 /nfs/dbraw/zinc/56/10/86/385561086.db2.gz CQPIITNQQGSQOH-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1nccnc1N ZINC000107357185 385565425 /nfs/dbraw/zinc/56/54/25/385565425.db2.gz KZPKLGQTYNHKSO-UHFFFAOYSA-N 1 2 229.243 1.015 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOC(C)(C)C)n1 ZINC000309467698 385596769 /nfs/dbraw/zinc/59/67/69/385596769.db2.gz QIRUVUMAHIBSCK-MRVPVSSYSA-N 1 2 227.308 1.844 20 0 BDADLO CCN(CC)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000337329684 385598768 /nfs/dbraw/zinc/59/87/68/385598768.db2.gz FFJFRYCAHKENGJ-UHFFFAOYSA-N 1 2 248.317 1.832 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cnccc1C ZINC000269540039 385603823 /nfs/dbraw/zinc/60/38/23/385603823.db2.gz AQOLFBQCZDAFQA-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cnccc1C ZINC000269540039 385603830 /nfs/dbraw/zinc/60/38/30/385603830.db2.gz AQOLFBQCZDAFQA-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493493144 385580772 /nfs/dbraw/zinc/58/07/72/385580772.db2.gz LJYBLTZQTWQIFX-ISBNUJHVSA-N 1 2 233.315 1.974 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000408373302 385587506 /nfs/dbraw/zinc/58/75/06/385587506.db2.gz GGKKWPSSNBMSIO-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)[nH]1 ZINC000408373302 385587509 /nfs/dbraw/zinc/58/75/09/385587509.db2.gz GGKKWPSSNBMSIO-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](OC)C(C)C)C1CC1 ZINC000309458656 385590288 /nfs/dbraw/zinc/59/02/88/385590288.db2.gz NHFHTCXLTHNQQZ-GHMZBOCLSA-N 1 2 229.320 1.199 20 0 BDADLO O=C(CCCn1cccc1)NCc1[nH]cc[nH+]1 ZINC000269648652 385618829 /nfs/dbraw/zinc/61/88/29/385618829.db2.gz LUVZGUGRDAHYJE-UHFFFAOYSA-N 1 2 232.287 1.308 20 0 BDADLO CCCCNc1cc(NC[C@@H](C)O)nc(N)[nH+]1 ZINC000280962614 385623421 /nfs/dbraw/zinc/62/34/21/385623421.db2.gz LCROSKYCMIEROH-MRVPVSSYSA-N 1 2 239.323 1.064 20 0 BDADLO CCCCNc1cc(NC[C@@H](C)O)[nH+]c(N)n1 ZINC000280962614 385623424 /nfs/dbraw/zinc/62/34/24/385623424.db2.gz LCROSKYCMIEROH-MRVPVSSYSA-N 1 2 239.323 1.064 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000595301603 385624090 /nfs/dbraw/zinc/62/40/90/385624090.db2.gz GPVQSSBOGJHXPS-LBPRGKRZSA-N 1 2 249.314 1.231 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000595301603 385624095 /nfs/dbraw/zinc/62/40/95/385624095.db2.gz GPVQSSBOGJHXPS-LBPRGKRZSA-N 1 2 249.314 1.231 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC1(C)C ZINC000269762283 385635274 /nfs/dbraw/zinc/63/52/74/385635274.db2.gz YLZQRRKCBJAXGC-QMMMGPOBSA-N 1 2 207.277 1.082 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1(C2CC2)CC1 ZINC000269795690 385637073 /nfs/dbraw/zinc/63/70/73/385637073.db2.gz IIHLWIQTWPPBKZ-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO COC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493743116 385613739 /nfs/dbraw/zinc/61/37/39/385613739.db2.gz VDVQCFICUVTIHF-NSCUHMNNSA-N 1 2 235.287 1.060 20 0 BDADLO CC(C)c1nnc(C[NH+]2CCC(CO)CC2)[nH]1 ZINC000408373565 385642233 /nfs/dbraw/zinc/64/22/33/385642233.db2.gz HGSCZOHZVRSFGI-UHFFFAOYSA-N 1 2 238.335 1.132 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C1CC1)C1CC1 ZINC000269943426 385651495 /nfs/dbraw/zinc/65/14/95/385651495.db2.gz LMUUGWBNTZIWRR-JTQLQIEISA-N 1 2 247.342 1.824 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2CSC[C@@H]2C)no1 ZINC000309521728 385658882 /nfs/dbraw/zinc/65/88/82/385658882.db2.gz AOYHVSHNYUBCJU-DTWKUNHWSA-N 1 2 241.360 1.863 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ncnn1C ZINC000353338851 385660190 /nfs/dbraw/zinc/66/01/90/385660190.db2.gz UXFVKDPUVBMLEX-RKDXNWHRSA-N 1 2 249.293 1.761 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CCc2c(F)cccc2C1 ZINC000270139321 385674865 /nfs/dbraw/zinc/67/48/65/385674865.db2.gz CYGNXICPEZQVGO-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CCc2c(F)cccc2C1 ZINC000270139321 385674870 /nfs/dbraw/zinc/67/48/70/385674870.db2.gz CYGNXICPEZQVGO-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO COC(=O)CC1(C[N@H+](C)Cc2ccon2)CC1 ZINC000281468221 385674863 /nfs/dbraw/zinc/67/48/63/385674863.db2.gz NQPRUSVQAHFQRC-UHFFFAOYSA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)CC1(C[N@@H+](C)Cc2ccon2)CC1 ZINC000281468221 385674874 /nfs/dbraw/zinc/67/48/74/385674874.db2.gz NQPRUSVQAHFQRC-UHFFFAOYSA-N 1 2 238.287 1.450 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C)s1 ZINC000308187830 385717196 /nfs/dbraw/zinc/71/71/96/385717196.db2.gz KUQZPCOGWYORGM-UHFFFAOYSA-N 1 2 217.363 1.641 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C)s1 ZINC000308187830 385717200 /nfs/dbraw/zinc/71/72/00/385717200.db2.gz KUQZPCOGWYORGM-UHFFFAOYSA-N 1 2 217.363 1.641 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408458443 385717607 /nfs/dbraw/zinc/71/76/07/385717607.db2.gz UGDTVDJVXNTLCF-DTWKUNHWSA-N 1 2 243.282 1.703 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408458443 385717611 /nfs/dbraw/zinc/71/76/11/385717611.db2.gz UGDTVDJVXNTLCF-DTWKUNHWSA-N 1 2 243.282 1.703 20 0 BDADLO Cc1cn[nH]c1CN[C@H](C)C[NH+]1CCCCC1 ZINC000336687648 385705841 /nfs/dbraw/zinc/70/58/41/385705841.db2.gz FQOCDIGAMRZNOH-GFCCVEGCSA-N 1 2 236.363 1.682 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](C)CN1CCCCC1 ZINC000336687648 385705846 /nfs/dbraw/zinc/70/58/46/385705846.db2.gz FQOCDIGAMRZNOH-GFCCVEGCSA-N 1 2 236.363 1.682 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000408457630 385708853 /nfs/dbraw/zinc/70/88/53/385708853.db2.gz PTRKVAZLAKNYDU-DTWKUNHWSA-N 1 2 241.314 1.113 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000408457630 385708857 /nfs/dbraw/zinc/70/88/57/385708857.db2.gz PTRKVAZLAKNYDU-DTWKUNHWSA-N 1 2 241.314 1.113 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000281885352 385711433 /nfs/dbraw/zinc/71/14/33/385711433.db2.gz XQJOWJCHXOJZNB-CYBMUJFWSA-N 1 2 236.315 1.016 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000281885352 385711436 /nfs/dbraw/zinc/71/14/36/385711436.db2.gz XQJOWJCHXOJZNB-CYBMUJFWSA-N 1 2 236.315 1.016 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1SCCS1 ZINC000270528959 385713946 /nfs/dbraw/zinc/71/39/46/385713946.db2.gz SYXQNQPQNSETPJ-UHFFFAOYSA-N 1 2 243.357 1.140 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000270101409 385669466 /nfs/dbraw/zinc/66/94/66/385669466.db2.gz BPEAVDRTRFRHOH-ZJUUUORDSA-N 1 2 241.360 1.529 20 0 BDADLO COC1(C)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000521403955 385728452 /nfs/dbraw/zinc/72/84/52/385728452.db2.gz VTURFAWOVWYQEC-UHFFFAOYSA-N 1 2 234.303 1.276 20 0 BDADLO COC1(C)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000521403955 385728458 /nfs/dbraw/zinc/72/84/58/385728458.db2.gz VTURFAWOVWYQEC-UHFFFAOYSA-N 1 2 234.303 1.276 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H](C)COC)C(=O)OCC ZINC000309616955 385744353 /nfs/dbraw/zinc/74/43/53/385744353.db2.gz DCSOUMWKFJMUNB-MGVUPCTHSA-N 1 2 229.320 1.509 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)CCCF ZINC000183254261 385747110 /nfs/dbraw/zinc/74/71/10/385747110.db2.gz UFCMYTFPBBEXBS-UHFFFAOYSA-N 1 2 219.691 1.865 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)CCCF ZINC000183254261 385747118 /nfs/dbraw/zinc/74/71/18/385747118.db2.gz UFCMYTFPBBEXBS-UHFFFAOYSA-N 1 2 219.691 1.865 20 0 BDADLO CC[C@H]1CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000294009579 385786616 /nfs/dbraw/zinc/78/66/16/385786616.db2.gz MRMXBKJCXXTYGC-NSHDSACASA-N 1 2 229.283 1.959 20 0 BDADLO C[N@H+](CCCCCO)Cc1csnn1 ZINC000336700988 385764291 /nfs/dbraw/zinc/76/42/91/385764291.db2.gz XLLQWTDMOORJSW-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO C[N@@H+](CCCCCO)Cc1csnn1 ZINC000336700988 385764294 /nfs/dbraw/zinc/76/42/94/385764294.db2.gz XLLQWTDMOORJSW-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC1CC1)[C@H](C)O ZINC000309648584 385767218 /nfs/dbraw/zinc/76/72/18/385767218.db2.gz NFWFYUIMMIHZCL-ATZCPNFKSA-N 1 2 229.320 1.077 20 0 BDADLO Cn1cnnc1[C@H]1CCCN1c1cccc[nH+]1 ZINC000271110010 385787783 /nfs/dbraw/zinc/78/77/83/385787783.db2.gz PMGAVTJOKWYORC-SNVBAGLBSA-N 1 2 229.287 1.552 20 0 BDADLO COCc1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000271048335 385777852 /nfs/dbraw/zinc/77/78/52/385777852.db2.gz STOQDENLOCCFKL-SNVBAGLBSA-N 1 2 225.288 1.647 20 0 BDADLO COCc1ccc(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000271048335 385777856 /nfs/dbraw/zinc/77/78/56/385777856.db2.gz STOQDENLOCCFKL-SNVBAGLBSA-N 1 2 225.288 1.647 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+](C)[C@@H](C)CO)cs1 ZINC000282679586 385778133 /nfs/dbraw/zinc/77/81/33/385778133.db2.gz DABDGFLAGATHGI-DTWKUNHWSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+](C)[C@@H](C)CO)cs1 ZINC000282679586 385778139 /nfs/dbraw/zinc/77/81/39/385778139.db2.gz DABDGFLAGATHGI-DTWKUNHWSA-N 1 2 244.360 1.663 20 0 BDADLO COCc1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000271048333 385778575 /nfs/dbraw/zinc/77/85/75/385778575.db2.gz STOQDENLOCCFKL-JTQLQIEISA-N 1 2 225.288 1.647 20 0 BDADLO COCc1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000271048333 385778579 /nfs/dbraw/zinc/77/85/79/385778579.db2.gz STOQDENLOCCFKL-JTQLQIEISA-N 1 2 225.288 1.647 20 0 BDADLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCCO1 ZINC000183627665 385778805 /nfs/dbraw/zinc/77/88/05/385778805.db2.gz RRHJDHZVNZZMIB-UHFFFAOYSA-N 1 2 244.254 1.045 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000271049325 385779458 /nfs/dbraw/zinc/77/94/58/385779458.db2.gz ULNOZAHIJAAENI-LBPRGKRZSA-N 1 2 236.315 1.553 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccn(C)c1 ZINC000271049325 385779461 /nfs/dbraw/zinc/77/94/61/385779461.db2.gz ULNOZAHIJAAENI-LBPRGKRZSA-N 1 2 236.315 1.553 20 0 BDADLO CC(C)n1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000282729038 385782034 /nfs/dbraw/zinc/78/20/34/385782034.db2.gz IHDHUDGWCKCSEP-ONEGZZNKSA-N 1 2 245.286 1.839 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CC(F)(F)C1 ZINC000282748570 385783220 /nfs/dbraw/zinc/78/32/20/385783220.db2.gz JZKKKZAIBAKXHL-OWOJBTEDSA-N 1 2 227.214 1.337 20 0 BDADLO COc1cc(C)[nH+]c(CN2C(=O)C[C@H](C)C2=O)c1 ZINC000271182038 385799749 /nfs/dbraw/zinc/79/97/49/385799749.db2.gz CVOLPTMEWUHNEF-QMMMGPOBSA-N 1 2 248.282 1.294 20 0 BDADLO Cc1ccc([C@H](O)C[N@@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC000283043586 385805574 /nfs/dbraw/zinc/80/55/74/385805574.db2.gz JAOOVQFSPVJYJC-IUODEOHRSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccc([C@H](O)C[N@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC000283043586 385805581 /nfs/dbraw/zinc/80/55/81/385805581.db2.gz JAOOVQFSPVJYJC-IUODEOHRSA-N 1 2 247.338 1.939 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000271218386 385806670 /nfs/dbraw/zinc/80/66/70/385806670.db2.gz YBIHKSJQKHPQHO-LBPRGKRZSA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000271218386 385806673 /nfs/dbraw/zinc/80/66/73/385806673.db2.gz YBIHKSJQKHPQHO-LBPRGKRZSA-N 1 2 236.315 1.505 20 0 BDADLO CN(C)c1ncnc(Cl)c1Cn1cc[nH+]c1 ZINC000283068993 385807733 /nfs/dbraw/zinc/80/77/33/385807733.db2.gz JYZAYDJJIBFKKG-UHFFFAOYSA-N 1 2 237.694 1.441 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271281571 385813737 /nfs/dbraw/zinc/81/37/37/385813737.db2.gz CDXURQVECDNPOU-MWLCHTKSSA-N 1 2 242.282 1.406 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000414564168 385817012 /nfs/dbraw/zinc/81/70/12/385817012.db2.gz CLJHZDJJGQQHPF-ZWNOBZJWSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000414564168 385817016 /nfs/dbraw/zinc/81/70/16/385817016.db2.gz CLJHZDJJGQQHPF-ZWNOBZJWSA-N 1 2 239.315 1.424 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000602772845 385819893 /nfs/dbraw/zinc/81/98/93/385819893.db2.gz LMUDNXMFWFAGOB-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000602772845 385819899 /nfs/dbraw/zinc/81/98/99/385819899.db2.gz LMUDNXMFWFAGOB-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)N1CCC1 ZINC000271375164 385822698 /nfs/dbraw/zinc/82/26/98/385822698.db2.gz NUFGJMSOIPTFHH-UHFFFAOYSA-N 1 2 245.326 1.278 20 0 BDADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)N1CCC1 ZINC000271375164 385822703 /nfs/dbraw/zinc/82/27/03/385822703.db2.gz NUFGJMSOIPTFHH-UHFFFAOYSA-N 1 2 245.326 1.278 20 0 BDADLO CN(C[C@H]1CCCOC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283623643 385824991 /nfs/dbraw/zinc/82/49/91/385824991.db2.gz AVRNHXZRXITIOI-SGUJLRQBSA-N 1 2 249.314 1.308 20 0 BDADLO CCN1CC(=O)N[C@H]1c1cn2cc(C)ccc2[nH+]1 ZINC000283817117 385834872 /nfs/dbraw/zinc/83/48/72/385834872.db2.gz DVASNZHZVQBBOX-CYBMUJFWSA-N 1 2 244.298 1.093 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3C[C@H]32)n1 ZINC000644837031 385845143 /nfs/dbraw/zinc/84/51/43/385845143.db2.gz GFFYYISCBWLWNU-PWSUYJOCSA-N 1 2 220.272 1.069 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCO[C@H]3C[C@H]32)n1 ZINC000644837031 385845147 /nfs/dbraw/zinc/84/51/47/385845147.db2.gz GFFYYISCBWLWNU-PWSUYJOCSA-N 1 2 220.272 1.069 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cc[nH+]1 ZINC000355971229 385858980 /nfs/dbraw/zinc/85/89/80/385858980.db2.gz CIBUEMXAKINZRP-TUAOUCFPSA-N 1 2 232.283 1.175 20 0 BDADLO c1csc(CNc2nc[nH+]c3c2OCCN3)c1 ZINC000647846049 385887882 /nfs/dbraw/zinc/88/78/82/385887882.db2.gz MCJDIPKJWOFYPJ-UHFFFAOYSA-N 1 2 248.311 1.376 20 0 BDADLO c1csc(CNc2[nH+]cnc3c2OCCN3)c1 ZINC000647846049 385887884 /nfs/dbraw/zinc/88/78/84/385887884.db2.gz MCJDIPKJWOFYPJ-UHFFFAOYSA-N 1 2 248.311 1.376 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccncc1C ZINC000294735191 385890510 /nfs/dbraw/zinc/89/05/10/385890510.db2.gz HCDKGLKDNPABQP-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccncc1C ZINC000294735191 385890511 /nfs/dbraw/zinc/89/05/11/385890511.db2.gz HCDKGLKDNPABQP-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CC(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000285073213 385897432 /nfs/dbraw/zinc/89/74/32/385897432.db2.gz JHSIKKHKNBIJJX-LLVKDONJSA-N 1 2 245.330 1.925 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)cs1 ZINC000294825342 385901857 /nfs/dbraw/zinc/90/18/57/385901857.db2.gz MZZVKGMKYUVYON-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)cs1 ZINC000294825342 385901858 /nfs/dbraw/zinc/90/18/58/385901858.db2.gz MZZVKGMKYUVYON-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO C[C@@H](O)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000272476334 385907367 /nfs/dbraw/zinc/90/73/67/385907367.db2.gz NWFPNNQEOKIBOB-KOLCDFICSA-N 1 2 233.315 1.561 20 0 BDADLO Cc1nnc(C[NH2+][C@H](CO)c2ccccc2)s1 ZINC000272601117 385917142 /nfs/dbraw/zinc/91/71/42/385917142.db2.gz UITWDYLXNQUVIV-LLVKDONJSA-N 1 2 249.339 1.670 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)c[nH+]1 ZINC000335036207 385925729 /nfs/dbraw/zinc/92/57/29/385925729.db2.gz ACCYOVDHQFXLAC-IUCAKERBSA-N 1 2 237.278 1.961 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC=C(F)C1 ZINC000284278380 385859643 /nfs/dbraw/zinc/85/96/43/385859643.db2.gz FGSACUJZZOARKY-ONEGZZNKSA-N 1 2 221.235 1.509 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOC[C@H]1C1CC1 ZINC000284349447 385864159 /nfs/dbraw/zinc/86/41/59/385864159.db2.gz KAWLSJYUALADCY-PCAWENJQSA-N 1 2 247.298 1.060 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000647808470 385864388 /nfs/dbraw/zinc/86/43/88/385864388.db2.gz NSRMORIXGQNJBU-HRDYMLBCSA-N 1 2 223.276 1.012 20 0 BDADLO C[C@@H](NC(=O)COc1cccnc1)c1[nH]cc[nH+]1 ZINC000647809053 385866896 /nfs/dbraw/zinc/86/68/96/385866896.db2.gz LTOAKPZRDCUQTK-SECBINFHSA-N 1 2 246.270 1.061 20 0 BDADLO CN(C[C@H]1CCC[C@@H]1O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284548662 385875730 /nfs/dbraw/zinc/87/57/30/385875730.db2.gz XQTVDPCOTVLMRO-SXGMEYSMSA-N 1 2 249.314 1.042 20 0 BDADLO Fc1cc(C[NH+]2CCSCC2)c(F)cn1 ZINC000294622652 385875895 /nfs/dbraw/zinc/87/58/95/385875895.db2.gz YSIPDNVQJXLMRD-UHFFFAOYSA-N 1 2 230.283 1.909 20 0 BDADLO CN(Cc1cc[nH]n1)Cc1cn2ccccc2[nH+]1 ZINC000353569816 385989936 /nfs/dbraw/zinc/98/99/36/385989936.db2.gz GIUZGMGVRFVWKC-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO O=C(C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)N1CCC1 ZINC000285494388 385933754 /nfs/dbraw/zinc/93/37/54/385933754.db2.gz XBQWUPGOPKRGNU-LBPRGKRZSA-N 1 2 248.330 1.169 20 0 BDADLO O=C(C[N@H+]1CCCC[C@H]1c1cc[nH]n1)N1CCC1 ZINC000285494388 385933757 /nfs/dbraw/zinc/93/37/57/385933757.db2.gz XBQWUPGOPKRGNU-LBPRGKRZSA-N 1 2 248.330 1.169 20 0 BDADLO Cc1ccc(NC(=O)C2(C)COC2)c(C)[nH+]1 ZINC000272789665 385935077 /nfs/dbraw/zinc/93/50/77/385935077.db2.gz CACSMOMLNAIYAI-UHFFFAOYSA-N 1 2 220.272 1.673 20 0 BDADLO Cc1ncc(C(=O)NCc2c[nH+]c(C)cc2C)[nH]1 ZINC000335042764 385935876 /nfs/dbraw/zinc/93/58/76/385935876.db2.gz GHSLHFZNSLBWCL-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000285566613 385944610 /nfs/dbraw/zinc/94/46/10/385944610.db2.gz NLQFTQBCVJDXTJ-NSHDSACASA-N 1 2 249.310 1.751 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285566613 385944614 /nfs/dbraw/zinc/94/46/14/385944614.db2.gz NLQFTQBCVJDXTJ-NSHDSACASA-N 1 2 249.310 1.751 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425399685 385949044 /nfs/dbraw/zinc/94/90/44/385949044.db2.gz BMURQGJUHUSNMH-ZETCQYMHSA-N 1 2 247.245 1.354 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425399685 385949048 /nfs/dbraw/zinc/94/90/48/385949048.db2.gz BMURQGJUHUSNMH-ZETCQYMHSA-N 1 2 247.245 1.354 20 0 BDADLO COC[C@H](C)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000365999400 385950335 /nfs/dbraw/zinc/95/03/35/385950335.db2.gz HKCHREUGQFMNKO-JTQLQIEISA-N 1 2 239.290 1.364 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000338302063 385953766 /nfs/dbraw/zinc/95/37/66/385953766.db2.gz AGVKHFDRWGWOAU-CBAPKCEASA-N 1 2 227.333 1.628 20 0 BDADLO CO[C@H]1CC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000338302063 385953768 /nfs/dbraw/zinc/95/37/68/385953768.db2.gz AGVKHFDRWGWOAU-CBAPKCEASA-N 1 2 227.333 1.628 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2(O)CCC2)c[nH+]1 ZINC000335056525 385956320 /nfs/dbraw/zinc/95/63/20/385956320.db2.gz GTVINPOUNJBRKM-UHFFFAOYSA-N 1 2 234.299 1.230 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CO[C@@H](C)C2)cc(C)[nH+]1 ZINC000335058190 385959145 /nfs/dbraw/zinc/95/91/45/385959145.db2.gz YWCFBFXBYPJNMQ-WCQYABFASA-N 1 2 248.326 1.740 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C[C@@H]1CCCO1 ZINC000425408565 385969650 /nfs/dbraw/zinc/96/96/50/385969650.db2.gz SOGAWOQMEJQIKT-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C[C@@H]1CCCO1 ZINC000425408565 385969657 /nfs/dbraw/zinc/96/96/57/385969657.db2.gz SOGAWOQMEJQIKT-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO CCOc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295113269 385970221 /nfs/dbraw/zinc/97/02/21/385970221.db2.gz WISYIPQCZSYUFQ-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295113269 385970230 /nfs/dbraw/zinc/97/02/30/385970230.db2.gz WISYIPQCZSYUFQ-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO Cc1ccc(NC(=O)NCc2[nH+]ccn2C)nc1 ZINC000273138147 385971341 /nfs/dbraw/zinc/97/13/41/385971341.db2.gz WSTNVZHOFVNZAT-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cc1nc(N2CCOC[C@H]2C2CCC2)cc[nH+]1 ZINC000645363284 385973919 /nfs/dbraw/zinc/97/39/19/385973919.db2.gz JKNDZOYWMXQROR-LBPRGKRZSA-N 1 2 233.315 1.790 20 0 BDADLO Cc1c(C[N@@H+]2CCOCC23CCC3)cnn1C ZINC000334232058 385975186 /nfs/dbraw/zinc/97/51/86/385975186.db2.gz VLLYXQWAYWOFAF-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1c(C[N@H+]2CCOCC23CCC3)cnn1C ZINC000334232058 385975195 /nfs/dbraw/zinc/97/51/95/385975195.db2.gz VLLYXQWAYWOFAF-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000336749444 385997690 /nfs/dbraw/zinc/99/76/90/385997690.db2.gz DIINOEMUQKTBHT-SSDOTTSWSA-N 1 2 211.265 1.072 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000295302284 386008342 /nfs/dbraw/zinc/00/83/42/386008342.db2.gz JZWLBGMXQBNVIN-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000295302284 386008349 /nfs/dbraw/zinc/00/83/49/386008349.db2.gz JZWLBGMXQBNVIN-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000295302286 386009666 /nfs/dbraw/zinc/00/96/66/386009666.db2.gz JZWLBGMXQBNVIN-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000295302286 386009670 /nfs/dbraw/zinc/00/96/70/386009670.db2.gz JZWLBGMXQBNVIN-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO CC[C@@H](O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000643261019 386010265 /nfs/dbraw/zinc/01/02/65/386010265.db2.gz VLDYGXWRYZMOLM-SNVBAGLBSA-N 1 2 248.286 1.227 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[C@@H]1C ZINC000454958182 386012998 /nfs/dbraw/zinc/01/29/98/386012998.db2.gz LKVBNPTZUJELFC-UWVGGRQHSA-N 1 2 236.319 1.501 20 0 BDADLO Cc1nc(N2CCC[C@H](n3ccnn3)C2)cc[nH+]1 ZINC000644880636 386013599 /nfs/dbraw/zinc/01/35/99/386013599.db2.gz CWIBPBQQLUGPSG-NSHDSACASA-N 1 2 244.302 1.218 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccsc1C ZINC000295330805 386014054 /nfs/dbraw/zinc/01/40/54/386014054.db2.gz LXXLYXIOGBOBGN-NSHDSACASA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccsc1C ZINC000295330805 386014062 /nfs/dbraw/zinc/01/40/62/386014062.db2.gz LXXLYXIOGBOBGN-NSHDSACASA-N 1 2 238.356 1.767 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000335890768 386022301 /nfs/dbraw/zinc/02/23/01/386022301.db2.gz HRSKQQIELSKMFT-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000335890768 386022308 /nfs/dbraw/zinc/02/23/08/386022308.db2.gz HRSKQQIELSKMFT-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO O=C(CCCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000643272466 386023149 /nfs/dbraw/zinc/02/31/49/386023149.db2.gz BHEFGLCDYYTBPC-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H]1c1cc[nH]n1)N1CCCC1 ZINC000286361617 386029831 /nfs/dbraw/zinc/02/98/31/386029831.db2.gz YIIJWSUPOWHWGI-LBPRGKRZSA-N 1 2 248.330 1.169 20 0 BDADLO O=C(C[N@H+]1CCC[C@H]1c1cc[nH]n1)N1CCCC1 ZINC000286361617 386029837 /nfs/dbraw/zinc/02/98/37/386029837.db2.gz YIIJWSUPOWHWGI-LBPRGKRZSA-N 1 2 248.330 1.169 20 0 BDADLO O=C(NCCCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC000643279225 386031272 /nfs/dbraw/zinc/03/12/72/386031272.db2.gz TXOSASBINIXXTL-JTQLQIEISA-N 1 2 239.294 1.311 20 0 BDADLO CO[C@@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000286383588 386033079 /nfs/dbraw/zinc/03/30/79/386033079.db2.gz MERPOZFDCQVSIZ-VIFPVBQESA-N 1 2 221.304 1.825 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cn1 ZINC000286413967 386035620 /nfs/dbraw/zinc/03/56/20/386035620.db2.gz KEMDSTUYXMHSTP-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cc(C[N@H+]2CCOC[C@@H]2CC(F)F)cn1 ZINC000286413967 386035627 /nfs/dbraw/zinc/03/56/27/386035627.db2.gz KEMDSTUYXMHSTP-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO C[C@@H]1CC[C@]2(C1)NC(=O)[C@H]1CSCC[N@H+]12 ZINC000414199891 386038154 /nfs/dbraw/zinc/03/81/54/386038154.db2.gz DALHSDOYMKJCOS-KKZNHRDASA-N 1 2 226.345 1.050 20 0 BDADLO C[C@@H]1CC[C@]2(C1)NC(=O)[C@H]1CSCC[N@@H+]12 ZINC000414199891 386038160 /nfs/dbraw/zinc/03/81/60/386038160.db2.gz DALHSDOYMKJCOS-KKZNHRDASA-N 1 2 226.345 1.050 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)CC[C@H]1O ZINC000425433004 386054021 /nfs/dbraw/zinc/05/40/21/386054021.db2.gz MNLDUXNICCAMIM-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)CC[C@H]1O ZINC000425433004 386054025 /nfs/dbraw/zinc/05/40/25/386054025.db2.gz MNLDUXNICCAMIM-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345093039 385995506 /nfs/dbraw/zinc/99/55/06/385995506.db2.gz RQSIPUXTEHLLJE-UHFFFAOYSA-N 1 2 236.315 1.580 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345093039 385995512 /nfs/dbraw/zinc/99/55/12/385995512.db2.gz RQSIPUXTEHLLJE-UHFFFAOYSA-N 1 2 236.315 1.580 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000336749540 385996773 /nfs/dbraw/zinc/99/67/73/385996773.db2.gz DLALUTQWYZJVCV-IDKOKCKLSA-N 1 2 215.293 1.094 20 0 BDADLO CN(c1cc(N2CCCC2)[nH+]cn1)[C@H]1CCOC1 ZINC000287182779 386101730 /nfs/dbraw/zinc/10/17/30/386101730.db2.gz HKWLIWKYLSLTJB-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO CN(c1cc(N2CCCC2)nc[nH+]1)[C@H]1CCOC1 ZINC000287182779 386101739 /nfs/dbraw/zinc/10/17/39/386101739.db2.gz HKWLIWKYLSLTJB-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO C[C@H](CF)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000287235885 386103786 /nfs/dbraw/zinc/10/37/86/386103786.db2.gz OHZUFPLPGAJTET-ZYHUDNBSSA-N 1 2 238.306 1.764 20 0 BDADLO CN(C)c1noc(C[NH2+]Cc2ccsc2)n1 ZINC000190970066 386117113 /nfs/dbraw/zinc/11/71/13/386117113.db2.gz ONKQXLZWMJWAIS-UHFFFAOYSA-N 1 2 238.316 1.487 20 0 BDADLO CCC1(CC)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000338733944 386118360 /nfs/dbraw/zinc/11/83/60/386118360.db2.gz MIPIIZHZVJPOSD-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000334461568 386118312 /nfs/dbraw/zinc/11/83/12/386118312.db2.gz WGIWIHWWXKQYJD-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2ccn(C)c2)n1 ZINC000414649084 386060228 /nfs/dbraw/zinc/06/02/28/386060228.db2.gz WKFNAMAQRWRRIR-ARJAWSKDSA-N 1 2 218.260 1.298 20 0 BDADLO CC[C@](C)([NH2+]CCOC(C)C)C(=O)OC ZINC000336771761 386063870 /nfs/dbraw/zinc/06/38/70/386063870.db2.gz WXDJEDCMLGLBCW-NSHDSACASA-N 1 2 217.309 1.343 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCOCC23CC3)n1 ZINC000338591640 386066433 /nfs/dbraw/zinc/06/64/33/386066433.db2.gz JARLSZUUVKPKIG-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1cccc(C[N@H+]2CCOCC23CC3)n1 ZINC000338591640 386066438 /nfs/dbraw/zinc/06/64/38/386066438.db2.gz JARLSZUUVKPKIG-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO FC(F)(F)COCC[N@@H+]1CCOCC12CC2 ZINC000338598447 386069745 /nfs/dbraw/zinc/06/97/45/386069745.db2.gz LYMGOMHFZNMWDF-UHFFFAOYSA-N 1 2 239.237 1.430 20 0 BDADLO FC(F)(F)COCC[N@H+]1CCOCC12CC2 ZINC000338598447 386069753 /nfs/dbraw/zinc/06/97/53/386069753.db2.gz LYMGOMHFZNMWDF-UHFFFAOYSA-N 1 2 239.237 1.430 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn[nH]1)c1c(C)noc1C ZINC000340242600 386077819 /nfs/dbraw/zinc/07/78/19/386077819.db2.gz AINTWSIPHFMZCF-JTQLQIEISA-N 1 2 235.291 1.650 20 0 BDADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cccc(CO)c1 ZINC000345248962 386080399 /nfs/dbraw/zinc/08/03/99/386080399.db2.gz BVJRPRPFKLHIKT-JTQLQIEISA-N 1 2 246.314 1.158 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334446496 386081860 /nfs/dbraw/zinc/08/18/60/386081860.db2.gz HCZZBJCEZGXAAZ-DGCLKSJQSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000334446496 386081866 /nfs/dbraw/zinc/08/18/66/386081866.db2.gz HCZZBJCEZGXAAZ-DGCLKSJQSA-N 1 2 242.338 1.821 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000189732576 386085421 /nfs/dbraw/zinc/08/54/21/386085421.db2.gz BBMADZGUDYVTEJ-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](C)[C@H]2CO)no1 ZINC000189732576 386085427 /nfs/dbraw/zinc/08/54/27/386085427.db2.gz BBMADZGUDYVTEJ-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC1(C)CC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000189735282 386086006 /nfs/dbraw/zinc/08/60/06/386086006.db2.gz IDMIYZMUCZNXNZ-SNVBAGLBSA-N 1 2 209.293 1.457 20 0 BDADLO Cn1cnnc1C[N@H+](C)C/C=C/c1ccccc1 ZINC000286945766 386086610 /nfs/dbraw/zinc/08/66/10/386086610.db2.gz MHNDUENFJXRXBW-RMKNXTFCSA-N 1 2 242.326 1.960 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C/C=C/c1ccccc1 ZINC000286945766 386086616 /nfs/dbraw/zinc/08/66/16/386086616.db2.gz MHNDUENFJXRXBW-RMKNXTFCSA-N 1 2 242.326 1.960 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2CC[C@@H](O)[C@H]2C)nn1C ZINC000643293695 386087605 /nfs/dbraw/zinc/08/76/05/386087605.db2.gz RLXUYKXRNSAKAS-GMSGAONNSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)nn1C ZINC000643293695 386087610 /nfs/dbraw/zinc/08/76/10/386087610.db2.gz RLXUYKXRNSAKAS-GMSGAONNSA-N 1 2 243.738 1.337 20 0 BDADLO CCOC[C@@H]([NH2+][C@@H](C)C(=O)OC)C(C)C ZINC000189796223 386088498 /nfs/dbraw/zinc/08/84/98/386088498.db2.gz IFFHIHHLRRXSFM-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c[nH+]1 ZINC000274303057 386088974 /nfs/dbraw/zinc/08/89/74/386088974.db2.gz STUGVRHMGLQAED-CMPLNLGQSA-N 1 2 249.314 1.406 20 0 BDADLO CC1CCN(C(=O)C[N@@H+]2CC[C@@](C)(F)C2)CC1 ZINC000334461240 386123386 /nfs/dbraw/zinc/12/33/86/386123386.db2.gz VPSNTNNZSHMESA-CYBMUJFWSA-N 1 2 242.338 1.679 20 0 BDADLO CC1CCN(C(=O)C[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000334461240 386123394 /nfs/dbraw/zinc/12/33/94/386123394.db2.gz VPSNTNNZSHMESA-CYBMUJFWSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@]1(C(=O)NCc2c[nH+]c[nH]2)C[C@H]2C[C@H]2C1 ZINC000334471396 386145784 /nfs/dbraw/zinc/14/57/84/386145784.db2.gz JGLDWMNVDBMRPT-GDGBQDQQSA-N 1 2 219.288 1.462 20 0 BDADLO C[C@]1(C(=O)NCc2c[nH]c[nH+]2)C[C@H]2C[C@H]2C1 ZINC000334471396 386145790 /nfs/dbraw/zinc/14/57/90/386145790.db2.gz JGLDWMNVDBMRPT-GDGBQDQQSA-N 1 2 219.288 1.462 20 0 BDADLO CONC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000365527308 386146500 /nfs/dbraw/zinc/14/65/00/386146500.db2.gz HTZOGEXLDSFZFF-LLVKDONJSA-N 1 2 249.314 1.284 20 0 BDADLO CCC[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000336729670 386147180 /nfs/dbraw/zinc/14/71/80/386147180.db2.gz HXOXEYOILQLKRJ-NSHDSACASA-N 1 2 224.304 1.456 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@H]1F ZINC000338825253 386147387 /nfs/dbraw/zinc/14/73/87/386147387.db2.gz VCZRVCNYVDSTLG-BDAKNGLRSA-N 1 2 235.266 1.666 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335157792 386153086 /nfs/dbraw/zinc/15/30/86/386153086.db2.gz HUAKYHHALYYOFO-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335157792 386153093 /nfs/dbraw/zinc/15/30/93/386153093.db2.gz HUAKYHHALYYOFO-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cncs1 ZINC000334475616 386155090 /nfs/dbraw/zinc/15/50/90/386155090.db2.gz NZXKGTANYZGBTE-UHFFFAOYSA-N 1 2 233.296 1.775 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2csnn2)C1 ZINC000190222875 386163131 /nfs/dbraw/zinc/16/31/31/386163131.db2.gz GHYSUNUQZDRGJS-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2csnn2)C1 ZINC000190222875 386163133 /nfs/dbraw/zinc/16/31/33/386163133.db2.gz GHYSUNUQZDRGJS-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cs1 ZINC000334478171 386164574 /nfs/dbraw/zinc/16/45/74/386164574.db2.gz RCSOLAOBWHIPCE-JTQLQIEISA-N 1 2 248.355 1.822 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000346149938 386167932 /nfs/dbraw/zinc/16/79/32/386167932.db2.gz LGGLRZWFOAHWOZ-WPRPVWTQSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)C1CC1 ZINC000346149938 386167935 /nfs/dbraw/zinc/16/79/35/386167935.db2.gz LGGLRZWFOAHWOZ-WPRPVWTQSA-N 1 2 233.315 1.744 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C)C2)no1 ZINC000356236569 386174734 /nfs/dbraw/zinc/17/47/34/386174734.db2.gz VJLJZLHYAFFQPW-MRVPVSSYSA-N 1 2 211.265 1.058 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C)C2)no1 ZINC000356236569 386174739 /nfs/dbraw/zinc/17/47/39/386174739.db2.gz VJLJZLHYAFFQPW-MRVPVSSYSA-N 1 2 211.265 1.058 20 0 BDADLO CO[C@@H](C[N@@H+](CC(F)F)C[C@@H](C)O)C1CC1 ZINC000425495774 386175864 /nfs/dbraw/zinc/17/58/64/386175864.db2.gz TUMOYHDLFIQWJQ-SCZZXKLOSA-N 1 2 237.290 1.359 20 0 BDADLO CO[C@@H](C[N@H+](CC(F)F)C[C@@H](C)O)C1CC1 ZINC000425495774 386175868 /nfs/dbraw/zinc/17/58/68/386175868.db2.gz TUMOYHDLFIQWJQ-SCZZXKLOSA-N 1 2 237.290 1.359 20 0 BDADLO CC[C@H](Sc1[nH+]cc2ccccn21)C(N)=O ZINC000263806560 386179571 /nfs/dbraw/zinc/17/95/71/386179571.db2.gz WCDKWBIVEIGJNM-VIFPVBQESA-N 1 2 235.312 1.690 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cncc(F)c2)cn1 ZINC000275135189 386181979 /nfs/dbraw/zinc/18/19/79/386181979.db2.gz MWKYVARRFGELOM-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cncc(F)c2)cn1 ZINC000275135189 386181987 /nfs/dbraw/zinc/18/19/87/386181987.db2.gz MWKYVARRFGELOM-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO CCN(CC(F)(F)F)C(=O)CCn1cc[nH+]c1 ZINC000263848453 386183706 /nfs/dbraw/zinc/18/37/06/386183706.db2.gz YHULZGJULLMFDY-UHFFFAOYSA-N 1 2 249.236 1.684 20 0 BDADLO CCN(C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000296072025 386132719 /nfs/dbraw/zinc/13/27/19/386132719.db2.gz PNNKFLPXOMTSQP-VIFPVBQESA-N 1 2 224.308 1.768 20 0 BDADLO c1[nH]c(CN2CCOC[C@H]2c2ccccc2)c[nH+]1 ZINC000334465292 386137049 /nfs/dbraw/zinc/13/70/49/386137049.db2.gz CIXCRLZSZTXENT-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO c1[nH]cc(CN2CCOC[C@H]2c2ccccc2)[nH+]1 ZINC000334465292 386137056 /nfs/dbraw/zinc/13/70/56/386137056.db2.gz CIXCRLZSZTXENT-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287640183 386139632 /nfs/dbraw/zinc/13/96/32/386139632.db2.gz NSZWZWWLADBJKD-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccc(C(C)=O)c1 ZINC000296149822 386141606 /nfs/dbraw/zinc/14/16/06/386141606.db2.gz XVYDKTFMVAAAHU-UHFFFAOYSA-N 1 2 234.299 1.196 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccc(C(C)=O)c1 ZINC000296149822 386141610 /nfs/dbraw/zinc/14/16/10/386141610.db2.gz XVYDKTFMVAAAHU-UHFFFAOYSA-N 1 2 234.299 1.196 20 0 BDADLO Cc1nnc(C[NH2+]C2(c3ccccc3)CC2)n1C ZINC000264024840 386204287 /nfs/dbraw/zinc/20/42/87/386204287.db2.gz XZXZQXLAJUEIRJ-UHFFFAOYSA-N 1 2 242.326 1.902 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000264118218 386208629 /nfs/dbraw/zinc/20/86/29/386208629.db2.gz UWUJPXMMFKPLIK-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000264118218 386208636 /nfs/dbraw/zinc/20/86/36/386208636.db2.gz UWUJPXMMFKPLIK-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@H]1C=CCCCCC1 ZINC000339017378 386212201 /nfs/dbraw/zinc/21/22/01/386212201.db2.gz KOSXCVXCAXGUCQ-NSHDSACASA-N 1 2 235.335 1.531 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@H]1C=CCCCCC1 ZINC000339017378 386212204 /nfs/dbraw/zinc/21/22/04/386212204.db2.gz KOSXCVXCAXGUCQ-NSHDSACASA-N 1 2 235.335 1.531 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000190510498 386216699 /nfs/dbraw/zinc/21/66/99/386216699.db2.gz QABMQCRAOOVION-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[C@@H]1C ZINC000296991000 386218974 /nfs/dbraw/zinc/21/89/74/386218974.db2.gz GDCOOHYMDGOHLX-MXWKQRLJSA-N 1 2 236.319 1.321 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)no1 ZINC000408360086 386225460 /nfs/dbraw/zinc/22/54/60/386225460.db2.gz RUGVJGLJTGMWLG-GXSJLCMTSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCO[C@@H](C)C2)no1 ZINC000408360086 386225467 /nfs/dbraw/zinc/22/54/67/386225467.db2.gz RUGVJGLJTGMWLG-GXSJLCMTSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH+]ccn2C)cc1 ZINC000264362733 386228968 /nfs/dbraw/zinc/22/89/68/386228968.db2.gz YXLXKENKBHURRY-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO CCCc1noc(C[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000264369009 386229695 /nfs/dbraw/zinc/22/96/95/386229695.db2.gz MEUCRGBHORQYDI-JTQLQIEISA-N 1 2 249.318 1.397 20 0 BDADLO CC(C)c1noc(C[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000264384330 386231476 /nfs/dbraw/zinc/23/14/76/386231476.db2.gz QJMTXOCSUMBCPI-JTQLQIEISA-N 1 2 249.318 1.568 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](C)Cn2cccn2)no1 ZINC000264386474 386231869 /nfs/dbraw/zinc/23/18/69/386231869.db2.gz RHDAYAQQYDERSM-SNVBAGLBSA-N 1 2 249.318 1.568 20 0 BDADLO Cn1cc[nH+]c1CN(CC(F)F)C1CC1 ZINC000264410868 386234983 /nfs/dbraw/zinc/23/49/83/386234983.db2.gz JLQRBMSOWXTHHC-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO COC(C)(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000264431974 386236705 /nfs/dbraw/zinc/23/67/05/386236705.db2.gz KTTJDJSCINEJFK-UHFFFAOYSA-N 1 2 247.298 1.376 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C)o1 ZINC000336644341 386242081 /nfs/dbraw/zinc/24/20/81/386242081.db2.gz OLLGAFAFKMUHKL-UHFFFAOYSA-N 1 2 201.295 1.173 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C)o1 ZINC000336644341 386242086 /nfs/dbraw/zinc/24/20/86/386242086.db2.gz OLLGAFAFKMUHKL-UHFFFAOYSA-N 1 2 201.295 1.173 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOC1CCC1 ZINC000347091550 386245048 /nfs/dbraw/zinc/24/50/48/386245048.db2.gz QFOMFDMAFQWKTK-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOC1CCC1 ZINC000347091550 386245053 /nfs/dbraw/zinc/24/50/53/386245053.db2.gz QFOMFDMAFQWKTK-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC000336642598 386245345 /nfs/dbraw/zinc/24/53/45/386245345.db2.gz AIJQUSOHXCYKKB-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000336642598 386245348 /nfs/dbraw/zinc/24/53/48/386245348.db2.gz AIJQUSOHXCYKKB-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO CCc1cc(NCCO)nc(-c2ccncc2)[nH+]1 ZINC000264552487 386246844 /nfs/dbraw/zinc/24/68/44/386246844.db2.gz JTCXFRGGSGCYIK-UHFFFAOYSA-N 1 2 244.298 1.505 20 0 BDADLO CN(Cc1ccoc1)Cc1c[nH+]cn1C ZINC000336643045 386248291 /nfs/dbraw/zinc/24/82/91/386248291.db2.gz BLOGEWVRQDXKND-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO c1nnc(N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000297405603 386251503 /nfs/dbraw/zinc/25/15/03/386251503.db2.gz GCFSAWOTJYKVSO-VIFPVBQESA-N 1 2 247.327 1.624 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@H](C)C2)s1 ZINC000336647036 386259038 /nfs/dbraw/zinc/25/90/38/386259038.db2.gz LTQAGLYQRFSXHU-QMMMGPOBSA-N 1 2 227.333 1.779 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@H](C)C2)s1 ZINC000336647036 386259041 /nfs/dbraw/zinc/25/90/41/386259041.db2.gz LTQAGLYQRFSXHU-QMMMGPOBSA-N 1 2 227.333 1.779 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000339000891 386198516 /nfs/dbraw/zinc/19/85/16/386198516.db2.gz PPFWMWZTYKWLEZ-LBPRGKRZSA-N 1 2 227.279 1.748 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000339000891 386198521 /nfs/dbraw/zinc/19/85/21/386198521.db2.gz PPFWMWZTYKWLEZ-LBPRGKRZSA-N 1 2 227.279 1.748 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cn2ccccc2n1 ZINC000340584849 386284940 /nfs/dbraw/zinc/28/49/40/386284940.db2.gz XKJGWONUPVMMOL-UHFFFAOYSA-N 1 2 241.298 1.656 20 0 BDADLO Cc1nn(C)cc1[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264927754 386286234 /nfs/dbraw/zinc/28/62/34/386286234.db2.gz MLEYCUZHXRCZNR-ZETCQYMHSA-N 1 2 247.302 1.251 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)nn1 ZINC000414397550 386286464 /nfs/dbraw/zinc/28/64/64/386286464.db2.gz POCYOCYHCWZVRX-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC3(CCCC3)C2)nn1 ZINC000414397550 386286468 /nfs/dbraw/zinc/28/64/68/386286468.db2.gz POCYOCYHCWZVRX-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000414397080 386289391 /nfs/dbraw/zinc/28/93/91/386289391.db2.gz ODZHBYSLHNIDQE-CYBMUJFWSA-N 1 2 247.342 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000414397080 386289398 /nfs/dbraw/zinc/28/93/98/386289398.db2.gz ODZHBYSLHNIDQE-CYBMUJFWSA-N 1 2 247.342 1.650 20 0 BDADLO CCOc1nnc(C[N@H+](CCO)C(C)C)s1 ZINC000336667789 386296103 /nfs/dbraw/zinc/29/61/03/386296103.db2.gz GXLMCFHDYBAWCH-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](CCO)C(C)C)s1 ZINC000336667789 386296110 /nfs/dbraw/zinc/29/61/10/386296110.db2.gz GXLMCFHDYBAWCH-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO COCc1cc(C[N@@H+]2CCC=C(C)C2)no1 ZINC000298128925 386300200 /nfs/dbraw/zinc/30/02/00/386300200.db2.gz PWZXBGBQPMYRDH-UHFFFAOYSA-N 1 2 222.288 1.973 20 0 BDADLO COCc1cc(C[N@H+]2CCC=C(C)C2)no1 ZINC000298128925 386300205 /nfs/dbraw/zinc/30/02/05/386300205.db2.gz PWZXBGBQPMYRDH-UHFFFAOYSA-N 1 2 222.288 1.973 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000347297115 386300697 /nfs/dbraw/zinc/30/06/97/386300697.db2.gz GVXSHUABMLOMMB-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000347297115 386300703 /nfs/dbraw/zinc/30/07/03/386300703.db2.gz GVXSHUABMLOMMB-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccncc1)c1[nH]cc[nH+]1 ZINC000276359434 386309621 /nfs/dbraw/zinc/30/96/21/386309621.db2.gz AANPLLUKNZZQPR-LLVKDONJSA-N 1 2 244.298 1.932 20 0 BDADLO CSCCC(=O)NCCCn1cc[nH+]c1 ZINC000298246515 386314770 /nfs/dbraw/zinc/31/47/70/386314770.db2.gz URTOJBWXPRCQTI-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO Cc1coc(SCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000298250612 386315356 /nfs/dbraw/zinc/31/53/56/386315356.db2.gz MZISICNFJXXNJZ-SNVBAGLBSA-N 1 2 242.344 1.796 20 0 BDADLO Cc1coc(SCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000298250612 386315362 /nfs/dbraw/zinc/31/53/62/386315362.db2.gz MZISICNFJXXNJZ-SNVBAGLBSA-N 1 2 242.344 1.796 20 0 BDADLO C[C@@H](O)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000276421726 386319803 /nfs/dbraw/zinc/31/98/03/386319803.db2.gz XHFPYDFPVWRWLQ-MRVPVSSYSA-N 1 2 238.287 1.578 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H](C)[S@@]1=O ZINC000347170585 386266293 /nfs/dbraw/zinc/26/62/93/386266293.db2.gz PNQUZQNRNSTJGR-CULMDFNYSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H](C)[S@@]1=O ZINC000347170585 386266298 /nfs/dbraw/zinc/26/62/98/386266298.db2.gz PNQUZQNRNSTJGR-CULMDFNYSA-N 1 2 245.388 1.397 20 0 BDADLO CCc1ccccc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000276035064 386266448 /nfs/dbraw/zinc/26/64/48/386266448.db2.gz VAWUTUMMPVCISC-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO Cn1cncc1C[N@H+](C)Cc1ccc[nH]1 ZINC000336652055 386267325 /nfs/dbraw/zinc/26/73/25/386267325.db2.gz WEHXCLICDSLHFS-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1cncc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000336652055 386267329 /nfs/dbraw/zinc/26/73/29/386267329.db2.gz WEHXCLICDSLHFS-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO CN(Cc1ccc[nH]1)Cc1c[nH+]cn1C ZINC000336652055 386267334 /nfs/dbraw/zinc/26/73/34/386267334.db2.gz WEHXCLICDSLHFS-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC1(C)C ZINC000339162641 386270981 /nfs/dbraw/zinc/27/09/81/386270981.db2.gz CLQACPPEMWTMOH-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000339169822 386276179 /nfs/dbraw/zinc/27/61/79/386276179.db2.gz PQWLZHWYRIXXHS-NWDGAFQWSA-N 1 2 233.315 1.267 20 0 BDADLO CCOCCOC1C[NH+](Cc2cccnc2)C1 ZINC000297757252 386276610 /nfs/dbraw/zinc/27/66/10/386276610.db2.gz URGRKKASGYYATQ-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO Cc1nocc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000339180308 386277154 /nfs/dbraw/zinc/27/71/54/386277154.db2.gz GYEBAYIZQLJTGK-LBPRGKRZSA-N 1 2 245.282 1.299 20 0 BDADLO C[C@@H](CF)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000289260500 386278371 /nfs/dbraw/zinc/27/83/71/386278371.db2.gz VDRMQQILYOFEAU-JTQLQIEISA-N 1 2 242.298 1.273 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000414396473 386278998 /nfs/dbraw/zinc/27/89/98/386278998.db2.gz PCAKGVMDTNYEMB-UHFFFAOYSA-N 1 2 247.342 1.794 20 0 BDADLO CCc1ncc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000414396473 386279002 /nfs/dbraw/zinc/27/90/02/386279002.db2.gz PCAKGVMDTNYEMB-UHFFFAOYSA-N 1 2 247.342 1.794 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC=CCC2)nc[nH+]1 ZINC000298433819 386343113 /nfs/dbraw/zinc/34/31/13/386343113.db2.gz XENHYNOIZMGRDR-QWRGUYRKSA-N 1 2 248.330 1.790 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC=CCC2)[nH+]cn1 ZINC000298433819 386343119 /nfs/dbraw/zinc/34/31/19/386343119.db2.gz XENHYNOIZMGRDR-QWRGUYRKSA-N 1 2 248.330 1.790 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(CCF)CC1 ZINC000289708736 386343378 /nfs/dbraw/zinc/34/33/78/386343378.db2.gz YJJGKCPEUPVWGU-JTQLQIEISA-N 1 2 239.294 1.528 20 0 BDADLO CN(C[C@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276576883 386346378 /nfs/dbraw/zinc/34/63/78/386346378.db2.gz KZESADIAIFTWSP-SGUJLRQBSA-N 1 2 235.287 1.060 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276567186 386347469 /nfs/dbraw/zinc/34/74/69/386347469.db2.gz JYGODWSJXVIEIM-ALCGYSGWSA-N 1 2 205.261 1.195 20 0 BDADLO CN(C[C@H]1CCCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276612356 386354648 /nfs/dbraw/zinc/35/46/48/386354648.db2.gz PRZOHACUQRYOFU-BTDICHCPSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343212717 386355230 /nfs/dbraw/zinc/35/52/30/386355230.db2.gz RPGGXJTZQHQQAD-SDDRHHMPSA-N 1 2 249.358 1.996 20 0 BDADLO CSCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366667347 386358969 /nfs/dbraw/zinc/35/89/69/386358969.db2.gz VHFHGKKXNMSQEN-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CSCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366667347 386358976 /nfs/dbraw/zinc/35/89/76/386358976.db2.gz VHFHGKKXNMSQEN-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)no1 ZINC000298579875 386359824 /nfs/dbraw/zinc/35/98/24/386359824.db2.gz URXUHIGAKXCUFB-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)no1 ZINC000298579875 386359828 /nfs/dbraw/zinc/35/98/28/386359828.db2.gz URXUHIGAKXCUFB-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000289843615 386361198 /nfs/dbraw/zinc/36/11/98/386361198.db2.gz KHDFKIAUGLEWTO-NXEZZACHSA-N 1 2 238.335 1.111 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)CCOC ZINC000347325275 386363392 /nfs/dbraw/zinc/36/33/92/386363392.db2.gz ATQHHLYVDVSXMC-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)CCOC ZINC000347325275 386363395 /nfs/dbraw/zinc/36/33/95/386363395.db2.gz ATQHHLYVDVSXMC-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000336693703 386368418 /nfs/dbraw/zinc/36/84/18/386368418.db2.gz DKPUDSBEAKPMJS-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000336693703 386368424 /nfs/dbraw/zinc/36/84/24/386368424.db2.gz DKPUDSBEAKPMJS-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO CCCc1nc(CN2CCc3[nH+]c[nH]c3C2)no1 ZINC000647933737 386372087 /nfs/dbraw/zinc/37/20/87/386372087.db2.gz ZXQCDSHIVJLPLK-UHFFFAOYSA-N 1 2 247.302 1.304 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(O)cc1 ZINC000276756232 386372682 /nfs/dbraw/zinc/37/26/82/386372682.db2.gz MMPMJKUNZNBOQA-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(O)cc1 ZINC000276756232 386372689 /nfs/dbraw/zinc/37/26/89/386372689.db2.gz MMPMJKUNZNBOQA-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO C[C@H](CNC(=O)C1CCC1)Cn1cc[nH+]c1 ZINC000265799856 386373308 /nfs/dbraw/zinc/37/33/08/386373308.db2.gz WLJFJJFRVNHZOR-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1nnc(C[NH+]2[C@H](C)C[C@H]2C)n1C1CC1 ZINC000334495336 386375836 /nfs/dbraw/zinc/37/58/36/386375836.db2.gz HNIJSWVXMAVMCO-RKDXNWHRSA-N 1 2 220.320 1.904 20 0 BDADLO Cc1cnn(C)c1CN(C)Cc1[nH+]ccn1C ZINC000289957677 386377892 /nfs/dbraw/zinc/37/78/92/386377892.db2.gz BBOAAZURDHVACD-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)c1 ZINC000347389836 386379064 /nfs/dbraw/zinc/37/90/64/386379064.db2.gz GDXWGKTUWXOZDT-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)c1 ZINC000347389836 386379067 /nfs/dbraw/zinc/37/90/67/386379067.db2.gz GDXWGKTUWXOZDT-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+]Cc2cn[nH]c2C)o1 ZINC000265939083 386384001 /nfs/dbraw/zinc/38/40/01/386384001.db2.gz FNKQHRLEWHUMKC-LLVKDONJSA-N 1 2 235.287 1.443 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H](C)O ZINC000336775212 386385008 /nfs/dbraw/zinc/38/50/08/386385008.db2.gz YISMUVSSMMRABH-OPRDCNLKSA-N 1 2 229.320 1.077 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCCO)o1 ZINC000265321156 386328150 /nfs/dbraw/zinc/32/81/50/386328150.db2.gz SNNQIJYLOFPSDN-LBPRGKRZSA-N 1 2 239.315 1.734 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2CCCCO)o1 ZINC000265321156 386328153 /nfs/dbraw/zinc/32/81/53/386328153.db2.gz SNNQIJYLOFPSDN-LBPRGKRZSA-N 1 2 239.315 1.734 20 0 BDADLO C[C@]1(F)CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000347335333 386333372 /nfs/dbraw/zinc/33/33/72/386333372.db2.gz AJXZUHAEUREEMP-LBPRGKRZSA-N 1 2 240.278 1.330 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000347335333 386333380 /nfs/dbraw/zinc/33/33/80/386333380.db2.gz AJXZUHAEUREEMP-LBPRGKRZSA-N 1 2 240.278 1.330 20 0 BDADLO C[C@]1([NH2+]C[C@@H](O)c2ccccc2)CCOC1=O ZINC000289636102 386335249 /nfs/dbraw/zinc/33/52/49/386335249.db2.gz SCVZNYMWUUQLAX-YPMHNXCESA-N 1 2 235.283 1.015 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347339038 386336805 /nfs/dbraw/zinc/33/68/05/386336805.db2.gz DITIADHGPPTJNP-ZDUSSCGKSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347339038 386336809 /nfs/dbraw/zinc/33/68/09/386336809.db2.gz DITIADHGPPTJNP-ZDUSSCGKSA-N 1 2 244.354 1.973 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2CC[C@H](C)O)o1 ZINC000336712046 386437045 /nfs/dbraw/zinc/43/70/45/386437045.db2.gz NHQFYQVZXGKBDH-JQWIXIFHSA-N 1 2 239.315 1.732 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2CC[C@H](C)O)o1 ZINC000336712046 386437049 /nfs/dbraw/zinc/43/70/49/386437049.db2.gz NHQFYQVZXGKBDH-JQWIXIFHSA-N 1 2 239.315 1.732 20 0 BDADLO CC[C@H]1C[N@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000290439140 386437454 /nfs/dbraw/zinc/43/74/54/386437454.db2.gz NTPYNUZEKJJGNO-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000290439140 386437460 /nfs/dbraw/zinc/43/74/60/386437460.db2.gz NTPYNUZEKJJGNO-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@H+](Cc2[nH]ncc2C)C[C@H](C)O1 ZINC000290439140 386437464 /nfs/dbraw/zinc/43/74/64/386437464.db2.gz NTPYNUZEKJJGNO-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2[nH]ncc2C)C[C@H](C)O1 ZINC000290439140 386437472 /nfs/dbraw/zinc/43/74/72/386437472.db2.gz NTPYNUZEKJJGNO-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000347546291 386446915 /nfs/dbraw/zinc/44/69/15/386446915.db2.gz FGIRMNHFPQDFOZ-NXEZZACHSA-N 1 2 234.299 1.974 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1nc(C2CC2)no1 ZINC000336722243 386448761 /nfs/dbraw/zinc/44/87/61/386448761.db2.gz ZVPPYHHIIFZZLK-SECBINFHSA-N 1 2 239.319 1.976 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1nc(C2CC2)no1 ZINC000336722243 386448766 /nfs/dbraw/zinc/44/87/66/386448766.db2.gz ZVPPYHHIIFZZLK-SECBINFHSA-N 1 2 239.319 1.976 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000266553898 386449912 /nfs/dbraw/zinc/44/99/12/386449912.db2.gz VADRNGRVIGKLEY-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000266553898 386449919 /nfs/dbraw/zinc/44/99/19/386449919.db2.gz VADRNGRVIGKLEY-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000290530840 386450687 /nfs/dbraw/zinc/45/06/87/386450687.db2.gz QPXUZNZDJQORTC-ZYHUDNBSSA-N 1 2 241.356 1.720 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000290530840 386450692 /nfs/dbraw/zinc/45/06/92/386450692.db2.gz QPXUZNZDJQORTC-ZYHUDNBSSA-N 1 2 241.356 1.720 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000414424153 386388834 /nfs/dbraw/zinc/38/88/34/386388834.db2.gz BUNXAVKYCDVBAN-ZDUSSCGKSA-N 1 2 249.358 1.896 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000414424153 386388836 /nfs/dbraw/zinc/38/88/36/386388836.db2.gz BUNXAVKYCDVBAN-ZDUSSCGKSA-N 1 2 249.358 1.896 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000266008518 386390565 /nfs/dbraw/zinc/39/05/65/386390565.db2.gz MWNNDHPGTIWMTA-LLVKDONJSA-N 1 2 248.326 1.500 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCN(C)c2ccccc2C1 ZINC000266008518 386390570 /nfs/dbraw/zinc/39/05/70/386390570.db2.gz MWNNDHPGTIWMTA-LLVKDONJSA-N 1 2 248.326 1.500 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000336704718 386392553 /nfs/dbraw/zinc/39/25/53/386392553.db2.gz NMVSDOGKIPOAJM-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000336704718 386392558 /nfs/dbraw/zinc/39/25/58/386392558.db2.gz NMVSDOGKIPOAJM-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO CN(CC(N)=O)c1cc(C(F)(F)F)cc[nH+]1 ZINC000277162702 386413221 /nfs/dbraw/zinc/41/32/21/386413221.db2.gz DZZQXCYMIGVTIQ-UHFFFAOYSA-N 1 2 233.193 1.022 20 0 BDADLO C[C@H](O)CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000266271847 386418839 /nfs/dbraw/zinc/41/88/39/386418839.db2.gz RHTZOWTYSZGUTG-VIFPVBQESA-N 1 2 221.304 1.561 20 0 BDADLO CON(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000277206569 386420127 /nfs/dbraw/zinc/42/01/27/386420127.db2.gz LXOADQOVYYNORV-UHFFFAOYSA-N 1 2 248.286 1.346 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1CC(F)(F)C1 ZINC000339431241 386425057 /nfs/dbraw/zinc/42/50/57/386425057.db2.gz XKGWUARKVCRKAM-UHFFFAOYSA-N 1 2 243.257 1.424 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC=CCC1 ZINC000277297458 386425883 /nfs/dbraw/zinc/42/58/83/386425883.db2.gz ASTYAFLBVDZTII-FGEFZZPRSA-N 1 2 217.272 1.648 20 0 BDADLO C[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000164917002 386428341 /nfs/dbraw/zinc/42/83/41/386428341.db2.gz QABRXOZDCVSYGZ-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cc(NC[C@@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000336777445 386431585 /nfs/dbraw/zinc/43/15/85/386431585.db2.gz IMXFGOQQXOYKBG-GHMZBOCLSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@@H](CO)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290691077 386468325 /nfs/dbraw/zinc/46/83/25/386468325.db2.gz MPZYOORMGVGQQQ-SECBINFHSA-N 1 2 248.286 1.084 20 0 BDADLO C[NH+](C)Cc1nc(CC(=O)OC(C)(C)C)no1 ZINC000277855457 386469567 /nfs/dbraw/zinc/46/95/67/386469567.db2.gz JPCAKFVEVFDENZ-UHFFFAOYSA-N 1 2 241.291 1.015 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)C(C)(C)C ZINC000266792279 386469761 /nfs/dbraw/zinc/46/97/61/386469761.db2.gz CRUFFCPYOBXDPH-VIFPVBQESA-N 1 2 237.303 1.003 20 0 BDADLO COCC1(C)C[NH+](Cc2cnc(OC)s2)C1 ZINC000639255039 386470354 /nfs/dbraw/zinc/47/03/54/386470354.db2.gz LHWGIRUUSNYVMT-UHFFFAOYSA-N 1 2 242.344 1.620 20 0 BDADLO CC(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000290769048 386472732 /nfs/dbraw/zinc/47/27/32/386472732.db2.gz KVVZQOGGPBDOKR-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335454395 386528694 /nfs/dbraw/zinc/52/86/94/386528694.db2.gz IQEXTQDOQCCHNI-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C(=O)C(C)(C)C ZINC000266871322 386474807 /nfs/dbraw/zinc/47/48/07/386474807.db2.gz XMGRIELHTMABRE-UHFFFAOYSA-N 1 2 220.272 1.944 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335454395 386528699 /nfs/dbraw/zinc/52/86/99/386528699.db2.gz IQEXTQDOQCCHNI-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccoc1 ZINC000299687145 386480609 /nfs/dbraw/zinc/48/06/09/386480609.db2.gz UTKBDIDTJUEBKG-UHFFFAOYSA-N 1 2 219.244 1.183 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299699638 386481189 /nfs/dbraw/zinc/48/11/89/386481189.db2.gz ZYQSLNCAUHTEAZ-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO CN(CCCO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290851719 386481448 /nfs/dbraw/zinc/48/14/48/386481448.db2.gz ZNLAVMLRNOCDOC-UHFFFAOYSA-N 1 2 248.286 1.180 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290859967 386481853 /nfs/dbraw/zinc/48/18/53/386481853.db2.gz BLTVNLDUGRPMPL-GHMZBOCLSA-N 1 2 235.331 1.908 20 0 BDADLO CC(Cl)(Cl)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290885860 386482892 /nfs/dbraw/zinc/48/28/92/386482892.db2.gz FFVWHYMPJJZARZ-UHFFFAOYSA-N 1 2 248.113 1.419 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000290919626 386485664 /nfs/dbraw/zinc/48/56/64/386485664.db2.gz KFXSNYUIEPIWSJ-JTQLQIEISA-N 1 2 235.331 1.908 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000335432119 386487773 /nfs/dbraw/zinc/48/77/73/386487773.db2.gz ASBDFJXSMRSEDF-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000335432119 386487778 /nfs/dbraw/zinc/48/77/78/386487778.db2.gz ASBDFJXSMRSEDF-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO C[C@H](CNC(=O)CC(F)(F)F)Cn1cc[nH+]c1 ZINC000267043407 386488360 /nfs/dbraw/zinc/48/83/60/386488360.db2.gz FSRPCSSLXNRLLX-MRVPVSSYSA-N 1 2 249.236 1.588 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000339585133 386489259 /nfs/dbraw/zinc/48/92/59/386489259.db2.gz UKQZLEOFNYFOPH-QWRGUYRKSA-N 1 2 221.304 1.567 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000339585133 386489264 /nfs/dbraw/zinc/48/92/64/386489264.db2.gz UKQZLEOFNYFOPH-QWRGUYRKSA-N 1 2 221.304 1.567 20 0 BDADLO CCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290932815 386490189 /nfs/dbraw/zinc/49/01/89/386490189.db2.gz MVMGHABUDOKWPC-UHFFFAOYSA-N 1 2 207.277 1.416 20 0 BDADLO CN(C)c1ccc(NCC2(C)COC2)c[nH+]1 ZINC000227521663 386490841 /nfs/dbraw/zinc/49/08/41/386490841.db2.gz JPUZXYCKNGFULT-UHFFFAOYSA-N 1 2 221.304 1.596 20 0 BDADLO Cc1[nH]ccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290944624 386493128 /nfs/dbraw/zinc/49/31/28/386493128.db2.gz PAEJYKJVWXSCLB-UHFFFAOYSA-N 1 2 230.271 1.176 20 0 BDADLO CCC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000291003894 386498810 /nfs/dbraw/zinc/49/88/10/386498810.db2.gz YZWFBDAGIZFDMC-UHFFFAOYSA-N 1 2 219.288 1.416 20 0 BDADLO Cc1n[nH]c(C)c1CNc1ccc(CO)c[nH+]1 ZINC000291003697 386499692 /nfs/dbraw/zinc/49/96/92/386499692.db2.gz BBXWZNHVPVFTOS-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3cocn3)CC2)c1 ZINC000278220117 386502392 /nfs/dbraw/zinc/50/23/92/386502392.db2.gz RTXWPGMPYNFKHD-UHFFFAOYSA-N 1 2 247.298 1.585 20 0 BDADLO CCn1nccc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000335444839 386509557 /nfs/dbraw/zinc/50/95/57/386509557.db2.gz HJFRBZDCELLJDW-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000335444839 386509564 /nfs/dbraw/zinc/50/95/64/386509564.db2.gz HJFRBZDCELLJDW-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO COC[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000135401831 386510447 /nfs/dbraw/zinc/51/04/47/386510447.db2.gz FJZJTMMZADWWKR-SSDOTTSWSA-N 1 2 210.233 1.008 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000519644176 386510523 /nfs/dbraw/zinc/51/05/23/386510523.db2.gz CAKBBYFRZNGRCF-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)on1 ZINC000335446751 386511453 /nfs/dbraw/zinc/51/14/53/386511453.db2.gz KNAKVJOUDGNJHY-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CCC2)on1 ZINC000335446751 386511460 /nfs/dbraw/zinc/51/14/60/386511460.db2.gz KNAKVJOUDGNJHY-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2CF)nn1C ZINC000339663677 386511846 /nfs/dbraw/zinc/51/18/46/386511846.db2.gz DNTGAUWNHNZWHY-NSHDSACASA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2CF)nn1C ZINC000339663677 386511852 /nfs/dbraw/zinc/51/18/52/386511852.db2.gz DNTGAUWNHNZWHY-NSHDSACASA-N 1 2 211.284 1.662 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339676349 386514790 /nfs/dbraw/zinc/51/47/90/386514790.db2.gz JBARHJSZRCOFOW-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CCC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000267224070 386515928 /nfs/dbraw/zinc/51/59/28/386515928.db2.gz WYLXHLSZKJMJMA-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1cscc1C(=O)NCc1[nH+]ccn1C ZINC000267275360 386521978 /nfs/dbraw/zinc/52/19/78/386521978.db2.gz TZPKOUUPTFIXJV-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000291181182 386521989 /nfs/dbraw/zinc/52/19/89/386521989.db2.gz FQCFIKINDMYRJY-SNVBAGLBSA-N 1 2 217.276 1.053 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000291181182 386521993 /nfs/dbraw/zinc/52/19/93/386521993.db2.gz FQCFIKINDMYRJY-SNVBAGLBSA-N 1 2 217.276 1.053 20 0 BDADLO COC(=O)C(C)(C)CCNc1cc(C)[nH+]cn1 ZINC000343223999 386457844 /nfs/dbraw/zinc/45/78/44/386457844.db2.gz IBIBSGMSAWXDFH-UHFFFAOYSA-N 1 2 237.303 1.208 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335454396 386528084 /nfs/dbraw/zinc/52/80/84/386528084.db2.gz IQEXTQDOQCCHNI-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335454396 386528088 /nfs/dbraw/zinc/52/80/88/386528088.db2.gz IQEXTQDOQCCHNI-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO FC(F)c1nnc(NCCCn2cc[nH+]c2)o1 ZINC000278468576 386528276 /nfs/dbraw/zinc/52/82/76/386528276.db2.gz CMKSSUAVJIRHEO-UHFFFAOYSA-N 1 2 243.217 1.706 20 0 BDADLO Cc1occc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000414457884 386576293 /nfs/dbraw/zinc/57/62/93/386576293.db2.gz LNSIHSREPBZOOT-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](C/C=C/Cl)C1 ZINC000267723527 386576554 /nfs/dbraw/zinc/57/65/54/386576554.db2.gz ZCSSKKHWLXVMBC-HDMKULJXSA-N 1 2 221.659 1.326 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](C/C=C/Cl)C1 ZINC000267723527 386576560 /nfs/dbraw/zinc/57/65/60/386576560.db2.gz ZCSSKKHWLXVMBC-HDMKULJXSA-N 1 2 221.659 1.326 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000267716937 386576637 /nfs/dbraw/zinc/57/66/37/386576637.db2.gz UIYLIRSFWMKJGJ-GHMZBOCLSA-N 1 2 236.319 1.371 20 0 BDADLO Cc1cnc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000291732158 386577131 /nfs/dbraw/zinc/57/71/31/386577131.db2.gz JRHDZMNATKMBTF-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO COC[C@@H](CC(C)C)[NH2+]Cc1cn[nH]c1C ZINC000336756976 386577987 /nfs/dbraw/zinc/57/79/87/386577987.db2.gz HJCRBAPCTNHNEN-GFCCVEGCSA-N 1 2 225.336 1.869 20 0 BDADLO COC(=O)C[N@H+](CCc1cccnc1)C1CC1 ZINC000267731396 386579299 /nfs/dbraw/zinc/57/92/99/386579299.db2.gz BHSLIQZGIXDDJK-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO COC(=O)C[N@@H+](CCc1cccnc1)C1CC1 ZINC000267731396 386579302 /nfs/dbraw/zinc/57/93/02/386579302.db2.gz BHSLIQZGIXDDJK-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@]1(C)C[C@@H]1F ZINC000424844062 386598469 /nfs/dbraw/zinc/59/84/69/386598469.db2.gz KFORECPNHHWJDX-CMPLNLGQSA-N 1 2 238.262 1.455 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000267910035 386598907 /nfs/dbraw/zinc/59/89/07/386598907.db2.gz FUVYXOPZINPEDM-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000267910035 386598916 /nfs/dbraw/zinc/59/89/16/386598916.db2.gz FUVYXOPZINPEDM-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CCC[C@H](CC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000291391288 386538243 /nfs/dbraw/zinc/53/82/43/386538243.db2.gz AISVUUAAXVHLHK-JTQLQIEISA-N 1 2 223.320 1.956 20 0 BDADLO CCC[C@H](CC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000291391288 386538249 /nfs/dbraw/zinc/53/82/49/386538249.db2.gz AISVUUAAXVHLHK-JTQLQIEISA-N 1 2 223.320 1.956 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000278516503 386538443 /nfs/dbraw/zinc/53/84/43/386538443.db2.gz BZONSHSOMAUMHJ-KOLCDFICSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000278516503 386538451 /nfs/dbraw/zinc/53/84/51/386538451.db2.gz BZONSHSOMAUMHJ-KOLCDFICSA-N 1 2 235.331 1.956 20 0 BDADLO CCOc1ccccc1C[NH+]1CC(NC(C)=O)C1 ZINC000291387512 386540089 /nfs/dbraw/zinc/54/00/89/386540089.db2.gz CBTYYNHDGJDGSL-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO O=C1C[N@H+](Cc2ccc(C3CCC3)cc2)CCN1 ZINC000278549604 386544585 /nfs/dbraw/zinc/54/45/85/386544585.db2.gz TYNASDLHPSMSPD-UHFFFAOYSA-N 1 2 244.338 1.886 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCN1 ZINC000278549604 386544593 /nfs/dbraw/zinc/54/45/93/386544593.db2.gz TYNASDLHPSMSPD-UHFFFAOYSA-N 1 2 244.338 1.886 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1[nH]ncc1C ZINC000291464571 386549758 /nfs/dbraw/zinc/54/97/58/386549758.db2.gz DIVJRGWTWCRLAA-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1[nH]ncc1C ZINC000291464571 386549764 /nfs/dbraw/zinc/54/97/64/386549764.db2.gz DIVJRGWTWCRLAA-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1n[nH]cc1C ZINC000291464571 386549767 /nfs/dbraw/zinc/54/97/67/386549767.db2.gz DIVJRGWTWCRLAA-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1n[nH]cc1C ZINC000291464571 386549774 /nfs/dbraw/zinc/54/97/74/386549774.db2.gz DIVJRGWTWCRLAA-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cncn1C ZINC000291505185 386550826 /nfs/dbraw/zinc/55/08/26/386550826.db2.gz PRXFGQYVEVEAOE-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CC(N)=O ZINC000332056567 386557309 /nfs/dbraw/zinc/55/73/09/386557309.db2.gz XKRUYPVIFYIZCK-JTQLQIEISA-N 1 2 241.335 1.245 20 0 BDADLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CC(N)=O ZINC000332056567 386557311 /nfs/dbraw/zinc/55/73/11/386557311.db2.gz XKRUYPVIFYIZCK-JTQLQIEISA-N 1 2 241.335 1.245 20 0 BDADLO COc1ccnc(C[NH2+]CC2(F)CC2)n1 ZINC000519821996 386562825 /nfs/dbraw/zinc/56/28/25/386562825.db2.gz UHRAPNDORRATCQ-UHFFFAOYSA-N 1 2 211.240 1.077 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000335406100 386562965 /nfs/dbraw/zinc/56/29/65/386562965.db2.gz GNZGOHZTDMTBCA-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000335406100 386562973 /nfs/dbraw/zinc/56/29/73/386562973.db2.gz GNZGOHZTDMTBCA-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CC[C@H](F)C1 ZINC000335406177 386563380 /nfs/dbraw/zinc/56/33/80/386563380.db2.gz LLZQTCCPZBZDDJ-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CC[C@H](F)C1 ZINC000335406177 386563383 /nfs/dbraw/zinc/56/33/83/386563383.db2.gz LLZQTCCPZBZDDJ-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO O=C(/C=C/C1CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000267620647 386563887 /nfs/dbraw/zinc/56/38/87/386563887.db2.gz MNCBEANIKPNJIO-GFUIURDCSA-N 1 2 245.326 1.840 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nccn1C(F)F ZINC000399475375 386569338 /nfs/dbraw/zinc/56/93/38/386569338.db2.gz NVPHOEFOUGBATE-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nccn1C(F)F ZINC000399475375 386569344 /nfs/dbraw/zinc/56/93/44/386569344.db2.gz NVPHOEFOUGBATE-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO Cc1oncc1C[NH2+][C@@H](C)c1ccon1 ZINC000336756721 386571086 /nfs/dbraw/zinc/57/10/86/386571086.db2.gz JPRONTVTAIGPPM-ZETCQYMHSA-N 1 2 207.233 1.822 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ccco2)nn1 ZINC000289161587 386573746 /nfs/dbraw/zinc/57/37/46/386573746.db2.gz AKKLHHVCRGHHFY-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CC12CCC2 ZINC000644920812 386620220 /nfs/dbraw/zinc/62/02/20/386620220.db2.gz TXNXPBFSLQZFAT-LLVKDONJSA-N 1 2 246.310 1.897 20 0 BDADLO CCc1ncc(C[NH+]2CC(C)(COC)C2)cn1 ZINC000414464270 386623788 /nfs/dbraw/zinc/62/37/88/386623788.db2.gz PJEJSONWYOMPTN-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO C[C@H]([NH2+][C@H]1CCOC1)c1nc(C(C)(C)C)no1 ZINC000179253850 386627602 /nfs/dbraw/zinc/62/76/02/386627602.db2.gz OZQFVFCTLQZRSI-IUCAKERBSA-N 1 2 239.319 1.807 20 0 BDADLO FC[C@@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000414466392 386629236 /nfs/dbraw/zinc/62/92/36/386629236.db2.gz BMLNIFQPJPKQLH-UIIMQBOASA-N 1 2 236.290 1.765 20 0 BDADLO FC[C@@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000414466392 386629239 /nfs/dbraw/zinc/62/92/39/386629239.db2.gz BMLNIFQPJPKQLH-UIIMQBOASA-N 1 2 236.290 1.765 20 0 BDADLO Cc1ccc([S@@](=O)Cc2c[nH+]cn2C)nc1 ZINC000268198455 386629602 /nfs/dbraw/zinc/62/96/02/386629602.db2.gz NVQXRFRUFJIKSS-INIZCTEOSA-N 1 2 235.312 1.431 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000190746442 386630309 /nfs/dbraw/zinc/63/03/09/386630309.db2.gz WORDYGYBYOVGDM-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+](CC)CCOC)n1 ZINC000268249246 386633770 /nfs/dbraw/zinc/63/37/70/386633770.db2.gz UJLQJPJJABJQCB-UHFFFAOYSA-N 1 2 239.319 1.213 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+](CC)CCOC)n1 ZINC000268249246 386633776 /nfs/dbraw/zinc/63/37/76/386633776.db2.gz UJLQJPJJABJQCB-UHFFFAOYSA-N 1 2 239.319 1.213 20 0 BDADLO CSc1cncc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428108596 386637761 /nfs/dbraw/zinc/63/77/61/386637761.db2.gz TXVVBHYDWOLPMJ-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000414469238 386639709 /nfs/dbraw/zinc/63/97/09/386639709.db2.gz FXYXDNUHWZTOOS-AWEZNQCLSA-N 1 2 247.342 1.985 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000414469238 386639714 /nfs/dbraw/zinc/63/97/14/386639714.db2.gz FXYXDNUHWZTOOS-AWEZNQCLSA-N 1 2 247.342 1.985 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414469274 386639901 /nfs/dbraw/zinc/63/99/01/386639901.db2.gz IMNHDCPZTVYYKN-NSHDSACASA-N 1 2 227.283 1.073 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414469274 386639906 /nfs/dbraw/zinc/63/99/06/386639906.db2.gz IMNHDCPZTVYYKN-NSHDSACASA-N 1 2 227.283 1.073 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](CF)C2)cn1 ZINC000414469273 386640846 /nfs/dbraw/zinc/64/08/46/386640846.db2.gz IMNHDCPZTVYYKN-LLVKDONJSA-N 1 2 227.283 1.073 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](CF)C2)cn1 ZINC000414469273 386640849 /nfs/dbraw/zinc/64/08/49/386640849.db2.gz IMNHDCPZTVYYKN-LLVKDONJSA-N 1 2 227.283 1.073 20 0 BDADLO CCOCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000520287762 386642010 /nfs/dbraw/zinc/64/20/10/386642010.db2.gz HGPSOIMQPQSABG-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCOCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000520287762 386642014 /nfs/dbraw/zinc/64/20/14/386642014.db2.gz HGPSOIMQPQSABG-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccn1C ZINC000268424896 386651622 /nfs/dbraw/zinc/65/16/22/386651622.db2.gz DLJOEGVAKYLGPW-SECBINFHSA-N 1 2 210.277 1.018 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccn1C ZINC000268424896 386651626 /nfs/dbraw/zinc/65/16/26/386651626.db2.gz DLJOEGVAKYLGPW-SECBINFHSA-N 1 2 210.277 1.018 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(=O)OC ZINC000336759158 386652139 /nfs/dbraw/zinc/65/21/39/386652139.db2.gz ITEKKVVAETWFIK-AXFHLTTASA-N 1 2 229.320 1.199 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000335518571 386654373 /nfs/dbraw/zinc/65/43/73/386654373.db2.gz FSUBLSYCBABNRS-NXEZZACHSA-N 1 2 239.294 1.658 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000335518571 386654378 /nfs/dbraw/zinc/65/43/78/386654378.db2.gz FSUBLSYCBABNRS-NXEZZACHSA-N 1 2 239.294 1.658 20 0 BDADLO COCc1noc(CCc2c[nH+]cc(C)c2)n1 ZINC000291928686 386602962 /nfs/dbraw/zinc/60/29/62/386602962.db2.gz OOIRHSAZEBCNGO-UHFFFAOYSA-N 1 2 233.271 1.705 20 0 BDADLO CSCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335487108 386603110 /nfs/dbraw/zinc/60/31/10/386603110.db2.gz LLYVUTFPFBRHJH-MRVPVSSYSA-N 1 2 225.317 1.436 20 0 BDADLO Cc1c[nH+]cc(CCc2nc(N(C)C)no2)c1 ZINC000291964120 386605361 /nfs/dbraw/zinc/60/53/61/386605361.db2.gz SHNKLXPBBOGDRU-UHFFFAOYSA-N 1 2 232.287 1.624 20 0 BDADLO COC1(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000648411067 386606750 /nfs/dbraw/zinc/60/67/50/386606750.db2.gz UPBQJJOUXLPKBL-RKDXNWHRSA-N 1 2 235.287 1.184 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000335490076 386606904 /nfs/dbraw/zinc/60/69/04/386606904.db2.gz BFZYBPVLVHHVJP-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000278948406 386609853 /nfs/dbraw/zinc/60/98/53/386609853.db2.gz VKQZFZPEQZMBOA-QWRGUYRKSA-N 1 2 233.315 1.519 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335493039 386611895 /nfs/dbraw/zinc/61/18/95/386611895.db2.gz CIKDNFIZMKMBQD-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335493039 386611899 /nfs/dbraw/zinc/61/18/99/386611899.db2.gz CIKDNFIZMKMBQD-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO Cc1ccc(NC(=O)N(C)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000268041592 386613655 /nfs/dbraw/zinc/61/36/55/386613655.db2.gz UIFJDKBBTIDSMV-LLVKDONJSA-N 1 2 249.314 1.951 20 0 BDADLO Cc1nc(CC[NH2+]Cc2cn[nH]c2C)c(C)o1 ZINC000329127701 386614179 /nfs/dbraw/zinc/61/41/79/386614179.db2.gz NCMYSTKGTMELRU-UHFFFAOYSA-N 1 2 234.303 1.655 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C(C)(C)CO ZINC000644994391 386659528 /nfs/dbraw/zinc/65/95/28/386659528.db2.gz MJZKMCSHUHKXTD-UHFFFAOYSA-N 1 2 240.351 1.305 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C(C)(C)CO ZINC000644994391 386659532 /nfs/dbraw/zinc/65/95/32/386659532.db2.gz MJZKMCSHUHKXTD-UHFFFAOYSA-N 1 2 240.351 1.305 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335521501 386660588 /nfs/dbraw/zinc/66/05/88/386660588.db2.gz ZROKKJOCDRCHCQ-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335521501 386660594 /nfs/dbraw/zinc/66/05/94/386660594.db2.gz ZROKKJOCDRCHCQ-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cnn1 ZINC000520416894 386670078 /nfs/dbraw/zinc/67/00/78/386670078.db2.gz XMOUCPPZFAMUFB-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO [NH3+][C@@H](C(=O)N[C@H]1C=CCCC1)c1cscn1 ZINC000335526951 386670804 /nfs/dbraw/zinc/67/08/04/386670804.db2.gz AVXXVJRJKGPLHY-WCBMZHEXSA-N 1 2 237.328 1.368 20 0 BDADLO CC(=O)N1CC(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000335527862 386673353 /nfs/dbraw/zinc/67/33/53/386673353.db2.gz LBRVQMQWPJEERD-UHFFFAOYSA-N 1 2 247.298 1.115 20 0 BDADLO CCN1C[C@H](Nc2cc[nH+]c(C(C)C)n2)CC1=O ZINC000450759469 386679741 /nfs/dbraw/zinc/67/97/41/386679741.db2.gz KFRNYGZMKZVPHQ-SNVBAGLBSA-N 1 2 248.330 1.055 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000353216192 386657839 /nfs/dbraw/zinc/65/78/39/386657839.db2.gz DJMBDIPFVREGPC-JGVFFNPUSA-N 1 2 229.349 1.874 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000353216192 386657845 /nfs/dbraw/zinc/65/78/45/386657845.db2.gz DJMBDIPFVREGPC-JGVFFNPUSA-N 1 2 229.349 1.874 20 0 BDADLO CC(C)n1nccc1C(=O)NCc1[nH+]ccn1C ZINC000268874598 386710453 /nfs/dbraw/zinc/71/04/53/386710453.db2.gz YMHXUHUEYBVCRD-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO CC[C@H](NC(=O)[C@H]1[C@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000442803982 386692984 /nfs/dbraw/zinc/69/29/84/386692984.db2.gz VEDPWLIRKKOFQJ-BIIVOSGPSA-N 1 2 243.257 1.878 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ncn(C)n1 ZINC000391899268 386693500 /nfs/dbraw/zinc/69/35/00/386693500.db2.gz DOJAXYRMLZFZKK-ZJUUUORDSA-N 1 2 238.335 1.423 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc(C)sc2C)C1 ZINC000335473491 386694040 /nfs/dbraw/zinc/69/40/40/386694040.db2.gz BAENSUHYIVGYGA-UHFFFAOYSA-N 1 2 238.356 1.685 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cccc(OC)n2)n1 ZINC000414486192 386695286 /nfs/dbraw/zinc/69/52/86/386695286.db2.gz SJUGCTULJVSPEE-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO Cc1cn[nH]c1C[NH2+]CCN1CCCC[C@@H]1C ZINC000352841448 386697696 /nfs/dbraw/zinc/69/76/96/386697696.db2.gz RJWULLKROYIATF-LBPRGKRZSA-N 1 2 236.363 1.682 20 0 BDADLO CCC[C@@H]1CN(Cc2c[nH+]cn2CC)CCO1 ZINC000417779615 386711951 /nfs/dbraw/zinc/71/19/51/386711951.db2.gz UUSFIGVTWAGLDO-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CC[C@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000192863350 386699831 /nfs/dbraw/zinc/69/98/31/386699831.db2.gz KXCHZQQUALANAF-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CCSC1 ZINC000414484902 386702084 /nfs/dbraw/zinc/70/20/84/386702084.db2.gz HJKOLGKORZTOGF-UWVGGRQHSA-N 1 2 229.345 1.423 20 0 BDADLO Cc1co[nH]c1=NCc1cn2cc(C)ccc2[nH+]1 ZINC000340689769 386712234 /nfs/dbraw/zinc/71/22/34/386712234.db2.gz MKMYGRGZUOBRAA-UHFFFAOYSA-N 1 2 242.282 1.973 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CCCCC1)[C@H](C)O ZINC000191963089 386732254 /nfs/dbraw/zinc/73/22/54/386732254.db2.gz PFVDXPPEWLNMMH-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cccc[nH+]2)[C@H]1C ZINC000336634196 386732637 /nfs/dbraw/zinc/73/26/37/386732637.db2.gz CCKNASCOTPWASB-VHSXEESVSA-N 1 2 220.272 1.469 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000334140239 386740591 /nfs/dbraw/zinc/74/05/91/386740591.db2.gz DLQBJDOFPLCZDP-GMSGAONNSA-N 1 2 240.253 1.906 20 0 BDADLO Nc1ccc(CNC(=O)Nc2ccncc2)c[nH+]1 ZINC000192030427 386737993 /nfs/dbraw/zinc/73/79/93/386737993.db2.gz ZRCAXWNGZBKXAR-UHFFFAOYSA-N 1 2 243.270 1.381 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CC1(F)CC1 ZINC000526971037 386715312 /nfs/dbraw/zinc/71/53/12/386715312.db2.gz OHNQMJWAOSTSCC-SECBINFHSA-N 1 2 217.284 1.760 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CC1(F)CC1 ZINC000526971037 386715321 /nfs/dbraw/zinc/71/53/21/386715321.db2.gz OHNQMJWAOSTSCC-SECBINFHSA-N 1 2 217.284 1.760 20 0 BDADLO Cc1nc(NCCCOCC(C)C)nc(N)[nH+]1 ZINC000302578152 386716750 /nfs/dbraw/zinc/71/67/50/386716750.db2.gz BUYNQXKMDICBCH-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO Cc1nc(N)nc(NCCCOCC(C)C)[nH+]1 ZINC000302578152 386716756 /nfs/dbraw/zinc/71/67/56/386716756.db2.gz BUYNQXKMDICBCH-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000330458070 386718444 /nfs/dbraw/zinc/71/84/44/386718444.db2.gz HQFWZYDPLIXBGA-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000330458070 386718450 /nfs/dbraw/zinc/71/84/50/386718450.db2.gz HQFWZYDPLIXBGA-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO Cn1c(CNc2cccc[nH+]2)nnc1C1CC1 ZINC000329614105 386723778 /nfs/dbraw/zinc/72/37/78/386723778.db2.gz KONNHUVHOMVXMJ-UHFFFAOYSA-N 1 2 229.287 1.700 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000335542505 386724175 /nfs/dbraw/zinc/72/41/75/386724175.db2.gz GJGUJOHPWSYMKN-SECBINFHSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000335542505 386724185 /nfs/dbraw/zinc/72/41/85/386724185.db2.gz GJGUJOHPWSYMKN-SECBINFHSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1ccnc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000269055162 386745876 /nfs/dbraw/zinc/74/58/76/386745876.db2.gz YUFQTQJVQRYUQQ-NSHDSACASA-N 1 2 245.330 1.870 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)n1 ZINC000334149279 386749461 /nfs/dbraw/zinc/74/94/61/386749461.db2.gz FZLRGSDZDWGLOX-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC3(CCCCC3)C2)n1 ZINC000334149279 386749471 /nfs/dbraw/zinc/74/94/71/386749471.db2.gz FZLRGSDZDWGLOX-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000292926220 386752132 /nfs/dbraw/zinc/75/21/32/386752132.db2.gz STXWGMPFZBGKOJ-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000292926220 386752138 /nfs/dbraw/zinc/75/21/38/386752138.db2.gz STXWGMPFZBGKOJ-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000329644551 386753722 /nfs/dbraw/zinc/75/37/22/386753722.db2.gz ILFDAZGTLBWENB-BXUZGUMPSA-N 1 2 246.310 1.431 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000357300015 386755038 /nfs/dbraw/zinc/75/50/38/386755038.db2.gz DKGKLQNHUAIZMJ-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000357300015 386755044 /nfs/dbraw/zinc/75/50/44/386755044.db2.gz DKGKLQNHUAIZMJ-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1cncc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000340711044 386761162 /nfs/dbraw/zinc/76/11/62/386761162.db2.gz XYFHSGDFXQDXLY-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO Cc1ccc(CCC[NH2+]C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000414844250 386763589 /nfs/dbraw/zinc/76/35/89/386763589.db2.gz CPFAFWLDJXBDID-OAHLLOKOSA-N 1 2 247.386 1.912 20 0 BDADLO CC[C@](C)(OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000280003609 386766281 /nfs/dbraw/zinc/76/62/81/386766281.db2.gz IBJZVERGAVJIHH-LBPRGKRZSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)C1 ZINC000335537547 386743198 /nfs/dbraw/zinc/74/31/98/386743198.db2.gz BUMACRLNUFQYLB-VIFPVBQESA-N 1 2 218.256 1.120 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCOc1ccccc1 ZINC000248076032 386743944 /nfs/dbraw/zinc/74/39/44/386743944.db2.gz BVCHDABNUQNGDZ-UHFFFAOYSA-N 1 2 245.326 1.931 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCOc1ccccc1 ZINC000248076032 386743948 /nfs/dbraw/zinc/74/39/48/386743948.db2.gz BVCHDABNUQNGDZ-UHFFFAOYSA-N 1 2 245.326 1.931 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000339910991 386790006 /nfs/dbraw/zinc/79/00/06/386790006.db2.gz AGJYJJLXDBCISF-VHSXEESVSA-N 1 2 219.288 1.082 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@]1(C)CC ZINC000417987568 386790222 /nfs/dbraw/zinc/79/02/22/386790222.db2.gz GPRXFLCCWDMYHD-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@]1(C)CC ZINC000417987568 386790229 /nfs/dbraw/zinc/79/02/29/386790229.db2.gz GPRXFLCCWDMYHD-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC[C@]1(C)CC ZINC000417987568 386790238 /nfs/dbraw/zinc/79/02/38/386790238.db2.gz GPRXFLCCWDMYHD-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO C[NH2+]Cc1noc(CO[C@@H]2CCCC[C@H]2C)n1 ZINC000414507101 386791779 /nfs/dbraw/zinc/79/17/79/386791779.db2.gz XTUMEDIIPRVING-NXEZZACHSA-N 1 2 239.319 1.884 20 0 BDADLO CCC1CCC([N@H+](C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340868460 386793891 /nfs/dbraw/zinc/79/38/91/386793891.db2.gz BMHVBUBQPSNELQ-UHFFFAOYSA-N 1 2 238.335 1.911 20 0 BDADLO CCC1CCC([N@@H+](C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340868460 386793894 /nfs/dbraw/zinc/79/38/94/386793894.db2.gz BMHVBUBQPSNELQ-UHFFFAOYSA-N 1 2 238.335 1.911 20 0 BDADLO FC[C@H]1CCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000293253587 386794795 /nfs/dbraw/zinc/79/47/95/386794795.db2.gz ZMXDDURTYNJJEU-LLVKDONJSA-N 1 2 234.278 1.663 20 0 BDADLO FC[C@H]1CCC[N@H+]1Cc1cn2cccnc2n1 ZINC000293253587 386794799 /nfs/dbraw/zinc/79/47/99/386794799.db2.gz ZMXDDURTYNJJEU-LLVKDONJSA-N 1 2 234.278 1.663 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1nnc(C)o1 ZINC000330524411 386774454 /nfs/dbraw/zinc/77/44/54/386774454.db2.gz JYHNVRLTKSLJCU-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1nnc(C)o1 ZINC000330524411 386774457 /nfs/dbraw/zinc/77/44/57/386774457.db2.gz JYHNVRLTKSLJCU-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cc1ccon1 ZINC000340876944 386796243 /nfs/dbraw/zinc/79/62/43/386796243.db2.gz JEKOLBSLPZVZCV-UHFFFAOYSA-N 1 2 231.255 1.235 20 0 BDADLO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC(C)(C)C ZINC000396574728 386782529 /nfs/dbraw/zinc/78/25/29/386782529.db2.gz GZLRNCCGSUNTHK-NXEZZACHSA-N 1 2 243.347 1.874 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](CC)OC)C(=O)OCC ZINC000336667002 386785404 /nfs/dbraw/zinc/78/54/04/386785404.db2.gz LYIIGNOEQJXLBR-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO COC[C@H]1CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000293176234 386785533 /nfs/dbraw/zinc/78/55/33/386785533.db2.gz SXYQSWBPMUKUSW-LLVKDONJSA-N 1 2 233.315 1.888 20 0 BDADLO C[C@H](O)C[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000293209652 386788864 /nfs/dbraw/zinc/78/88/64/386788864.db2.gz PIBQMYUKGABJFR-IUCAKERBSA-N 1 2 228.723 1.899 20 0 BDADLO C[C@H](O)C[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000293209652 386788869 /nfs/dbraw/zinc/78/88/69/386788869.db2.gz PIBQMYUKGABJFR-IUCAKERBSA-N 1 2 228.723 1.899 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000330591538 386801872 /nfs/dbraw/zinc/80/18/72/386801872.db2.gz ZASJCTQTPRZAPX-SNVBAGLBSA-N 1 2 249.318 1.042 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000330591538 386801878 /nfs/dbraw/zinc/80/18/78/386801878.db2.gz ZASJCTQTPRZAPX-SNVBAGLBSA-N 1 2 249.318 1.042 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC000357549918 386805916 /nfs/dbraw/zinc/80/59/16/386805916.db2.gz MKAPPSBNBYHSEB-UTLUCORTSA-N 1 2 233.315 1.696 20 0 BDADLO CCOC(=O)CN(Cc1c[nH+]c[nH]1)C1CCC1 ZINC000344934931 386809374 /nfs/dbraw/zinc/80/93/74/386809374.db2.gz PUFSFCQEHUYZGJ-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)CN(Cc1c[nH]c[nH+]1)C1CCC1 ZINC000344934931 386809375 /nfs/dbraw/zinc/80/93/75/386809375.db2.gz PUFSFCQEHUYZGJ-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCn1cc(Cl)cn1 ZINC000459441621 533194703 /nfs/dbraw/zinc/19/47/03/533194703.db2.gz KYACBEACMCSNSU-QMMMGPOBSA-N 1 2 245.710 1.030 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000459441621 533194705 /nfs/dbraw/zinc/19/47/05/533194705.db2.gz KYACBEACMCSNSU-QMMMGPOBSA-N 1 2 245.710 1.030 20 0 BDADLO Cc1cc(C)c(CNC(=O)N2CC(F)C2)c[nH+]1 ZINC000334774178 386826915 /nfs/dbraw/zinc/82/69/15/386826915.db2.gz DKZKYFQPCAULFK-UHFFFAOYSA-N 1 2 237.278 1.562 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000293488211 386827161 /nfs/dbraw/zinc/82/71/61/386827161.db2.gz AIQNGBSQZYFWNY-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000293488211 386827166 /nfs/dbraw/zinc/82/71/66/386827166.db2.gz AIQNGBSQZYFWNY-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnc([C@H](C)O)s1 ZINC000293533857 386832819 /nfs/dbraw/zinc/83/28/19/386832819.db2.gz CAYMUBJVHOHWOH-DTWKUNHWSA-N 1 2 242.344 1.417 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnc([C@H](C)O)s1 ZINC000293533857 386832822 /nfs/dbraw/zinc/83/28/22/386832822.db2.gz CAYMUBJVHOHWOH-DTWKUNHWSA-N 1 2 242.344 1.417 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1cc[nH]n1 ZINC000425340057 386839668 /nfs/dbraw/zinc/83/96/68/386839668.db2.gz UVYJBZASVMAXRI-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO C[C@H]1C[C@H](NC(=O)NC(C)(C)C)c2[nH+]ccn21 ZINC000334782526 386839906 /nfs/dbraw/zinc/83/99/06/386839906.db2.gz FWZZNBAJRUMZLW-IUCAKERBSA-N 1 2 236.319 1.987 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334784608 386841822 /nfs/dbraw/zinc/84/18/22/386841822.db2.gz BIHHKIHOXCTWHD-IUCAKERBSA-N 1 2 237.328 1.637 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334784608 386841829 /nfs/dbraw/zinc/84/18/29/386841829.db2.gz BIHHKIHOXCTWHD-IUCAKERBSA-N 1 2 237.328 1.637 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cccnc1Cl ZINC000293590661 386843923 /nfs/dbraw/zinc/84/39/23/386843923.db2.gz OIAVVMXVHRCFRT-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cccnc1Cl ZINC000293590661 386843926 /nfs/dbraw/zinc/84/39/26/386843926.db2.gz OIAVVMXVHRCFRT-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000331363038 386846641 /nfs/dbraw/zinc/84/66/41/386846641.db2.gz ABBMDRBUPDPKAH-AATLWQCWSA-N 1 2 240.303 1.184 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000331363038 386846642 /nfs/dbraw/zinc/84/66/42/386846642.db2.gz ABBMDRBUPDPKAH-AATLWQCWSA-N 1 2 240.303 1.184 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)OC)C[C@H](CC)O1 ZINC000398594852 386849862 /nfs/dbraw/zinc/84/98/62/386849862.db2.gz BPHNONUUSHXYIM-GARJFASQSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)OC)C[C@H](CC)O1 ZINC000398594852 386849866 /nfs/dbraw/zinc/84/98/66/386849866.db2.gz BPHNONUUSHXYIM-GARJFASQSA-N 1 2 229.320 1.437 20 0 BDADLO CN(Cc1nccn1C)c1[nH]c2ccccc2[nH+]1 ZINC000301911919 386891813 /nfs/dbraw/zinc/89/18/13/386891813.db2.gz GTEWZUAWOLVUFD-UHFFFAOYSA-N 1 2 241.298 1.933 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000425347705 386860571 /nfs/dbraw/zinc/86/05/71/386860571.db2.gz HVGAXDYLMATOOT-JTQLQIEISA-N 1 2 249.343 1.572 20 0 BDADLO c1csc(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000425347705 386860578 /nfs/dbraw/zinc/86/05/78/386860578.db2.gz HVGAXDYLMATOOT-JTQLQIEISA-N 1 2 249.343 1.572 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000418005972 386861745 /nfs/dbraw/zinc/86/17/45/386861745.db2.gz BIHGWPAQAVRUTQ-SDDRHHMPSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000418005972 386861747 /nfs/dbraw/zinc/86/17/47/386861747.db2.gz BIHGWPAQAVRUTQ-SDDRHHMPSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000418005972 386861751 /nfs/dbraw/zinc/86/17/51/386861751.db2.gz BIHGWPAQAVRUTQ-SDDRHHMPSA-N 1 2 237.347 1.901 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(Cl)o1 ZINC000349542967 386862950 /nfs/dbraw/zinc/86/29/50/386862950.db2.gz OQVWZQFTYHRSFN-UHFFFAOYSA-N 1 2 244.722 1.891 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(Cl)o1 ZINC000349542967 386862954 /nfs/dbraw/zinc/86/29/54/386862954.db2.gz OQVWZQFTYHRSFN-UHFFFAOYSA-N 1 2 244.722 1.891 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CC[C@](C)(F)C1 ZINC000335745217 386865622 /nfs/dbraw/zinc/86/56/22/386865622.db2.gz SILVIPUKUKOALL-KOLCDFICSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CC[C@](C)(F)C1 ZINC000335745217 386865624 /nfs/dbraw/zinc/86/56/24/386865624.db2.gz SILVIPUKUKOALL-KOLCDFICSA-N 1 2 209.268 1.972 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334830483 386866717 /nfs/dbraw/zinc/86/67/17/386866717.db2.gz RQNSFTICELCCAN-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334830483 386866721 /nfs/dbraw/zinc/86/67/21/386866721.db2.gz RQNSFTICELCCAN-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1c[nH+]c(CNc2cc(C3CC3)n(C)n2)n1C ZINC000353205843 386867129 /nfs/dbraw/zinc/86/71/29/386867129.db2.gz FJLJNGWQBMISJZ-UHFFFAOYSA-N 1 2 245.330 1.373 20 0 BDADLO Cc1ccoc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000357943669 386868996 /nfs/dbraw/zinc/86/89/96/386868996.db2.gz GZYLAMSKADNBHF-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000335747704 386871472 /nfs/dbraw/zinc/87/14/72/386871472.db2.gz LXIHEBZLRHOPBU-GHMZBOCLSA-N 1 2 233.315 1.290 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCSC1 ZINC000293748319 386871507 /nfs/dbraw/zinc/87/15/07/386871507.db2.gz LXMDZKQHXFJGBL-SECBINFHSA-N 1 2 239.344 1.272 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCSC1 ZINC000293748319 386871509 /nfs/dbraw/zinc/87/15/09/386871509.db2.gz LXMDZKQHXFJGBL-SECBINFHSA-N 1 2 239.344 1.272 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@H]2CF)nn1 ZINC000334836179 386875849 /nfs/dbraw/zinc/87/58/49/386875849.db2.gz XZTMIGOPLSXNLG-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@H]2CF)nn1 ZINC000334836179 386875851 /nfs/dbraw/zinc/87/58/51/386875851.db2.gz XZTMIGOPLSXNLG-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1CCCOCC1 ZINC000331652935 386879918 /nfs/dbraw/zinc/87/99/18/386879918.db2.gz PCEVOGVVTZUIRD-UHFFFAOYSA-N 1 2 239.271 1.289 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1CCCOCC1 ZINC000331652935 386879924 /nfs/dbraw/zinc/87/99/24/386879924.db2.gz PCEVOGVVTZUIRD-UHFFFAOYSA-N 1 2 239.271 1.289 20 0 BDADLO C(c1nnc2n1CCCC2)[N@@H+]1CCCC2(CC2)C1 ZINC000335753309 386881408 /nfs/dbraw/zinc/88/14/08/386881408.db2.gz JWZUKIWTANLVPQ-UHFFFAOYSA-N 1 2 246.358 1.990 20 0 BDADLO C(c1nnc2n1CCCC2)[N@H+]1CCCC2(CC2)C1 ZINC000335753309 386881416 /nfs/dbraw/zinc/88/14/16/386881416.db2.gz JWZUKIWTANLVPQ-UHFFFAOYSA-N 1 2 246.358 1.990 20 0 BDADLO CC[C@H]1C[C@H](C[N@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777038 386884372 /nfs/dbraw/zinc/88/43/72/386884372.db2.gz JTBHAZLBVVKSMD-MNOVXSKESA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@H]1C[C@H](C[N@@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777038 386884377 /nfs/dbraw/zinc/88/43/77/386884377.db2.gz JTBHAZLBVVKSMD-MNOVXSKESA-N 1 2 238.335 1.442 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccoc2C)[C@H](C)C1 ZINC000334842882 386889085 /nfs/dbraw/zinc/88/90/85/386889085.db2.gz YTGXUMFJVLEAOD-SNVBAGLBSA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccoc2C)[C@H](C)C1 ZINC000334842882 386889089 /nfs/dbraw/zinc/88/90/89/386889089.db2.gz YTGXUMFJVLEAOD-SNVBAGLBSA-N 1 2 236.315 1.641 20 0 BDADLO C[C@@H](CO)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301915239 386890881 /nfs/dbraw/zinc/89/08/81/386890881.db2.gz VHTAFVPVFLPDEB-QMMMGPOBSA-N 1 2 232.287 1.029 20 0 BDADLO COC[C@H](CNc1cc[nH+]c(C(C)C)n1)OC ZINC000358130248 386897229 /nfs/dbraw/zinc/89/72/29/386897229.db2.gz XZJYQYBXAZKKEG-JTQLQIEISA-N 1 2 239.319 1.095 20 0 BDADLO COc1ncncc1C[N@@H+]1CCCOC[C@@H]1C ZINC000648009377 386898948 /nfs/dbraw/zinc/89/89/48/386898948.db2.gz FCBPOZLKAMZTDA-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@H+]1CCCOC[C@@H]1C ZINC000648009377 386898954 /nfs/dbraw/zinc/89/89/54/386898954.db2.gz FCBPOZLKAMZTDA-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO CC(C)(C)c1n[nH]cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000293934545 386906658 /nfs/dbraw/zinc/90/66/58/386906658.db2.gz YDRUVGJBULAEPU-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335765002 386907090 /nfs/dbraw/zinc/90/70/90/386907090.db2.gz JULMVSCOLWUEFY-BDAKNGLRSA-N 1 2 239.344 1.066 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335771945 386920311 /nfs/dbraw/zinc/92/03/11/386920311.db2.gz NQFHWEQQFWUZLP-CDMJZVDBSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335771945 386920318 /nfs/dbraw/zinc/92/03/18/386920318.db2.gz NQFHWEQQFWUZLP-CDMJZVDBSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(CCCO)CC1 ZINC000341525767 386921365 /nfs/dbraw/zinc/92/13/65/386921365.db2.gz HOFOBDKOTHSOBY-UHFFFAOYSA-N 1 2 237.347 1.703 20 0 BDADLO CC(C)(C(=O)NCC(F)F)c1c[nH]c[nH+]1 ZINC000330948823 386927379 /nfs/dbraw/zinc/92/73/79/386927379.db2.gz JATBEFWCQHDABY-UHFFFAOYSA-N 1 2 217.219 1.069 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2scc(C)c2C1 ZINC000368010798 386927736 /nfs/dbraw/zinc/92/77/36/386927736.db2.gz ZYNCNZQKLNOFCD-SECBINFHSA-N 1 2 239.340 1.976 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2scc(C)c2C1 ZINC000368010798 386927739 /nfs/dbraw/zinc/92/77/39/386927739.db2.gz ZYNCNZQKLNOFCD-SECBINFHSA-N 1 2 239.340 1.976 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCc2cncnc2C1 ZINC000331955245 386929982 /nfs/dbraw/zinc/92/99/82/386929982.db2.gz JEJZSSZSNOVRAW-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCc2cncnc2C1 ZINC000331955245 386929987 /nfs/dbraw/zinc/92/99/87/386929987.db2.gz JEJZSSZSNOVRAW-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CC(C)c1nc(C[N@@H+](C[C@H](C)O)C(C)C)no1 ZINC000304001842 386931407 /nfs/dbraw/zinc/93/14/07/386931407.db2.gz RKEJDSASENSTTH-JTQLQIEISA-N 1 2 241.335 1.784 20 0 BDADLO CC(C)c1nc(C[N@H+](C[C@H](C)O)C(C)C)no1 ZINC000304001842 386931410 /nfs/dbraw/zinc/93/14/10/386931410.db2.gz RKEJDSASENSTTH-JTQLQIEISA-N 1 2 241.335 1.784 20 0 BDADLO Cc1ccncc1C(=O)Nc1cc[nH+]cc1O ZINC000358340174 386936495 /nfs/dbraw/zinc/93/64/95/386936495.db2.gz PBYZANANYQIFNL-UHFFFAOYSA-N 1 2 229.239 1.165 20 0 BDADLO C[N@H+](CCCC1CCOCC1)Cc1nnc[nH]1 ZINC000330985528 386940801 /nfs/dbraw/zinc/94/08/01/386940801.db2.gz QSIBQSUZIQFHBZ-UHFFFAOYSA-N 1 2 238.335 1.443 20 0 BDADLO C[N@@H+](CCCC1CCOCC1)Cc1nnc[nH]1 ZINC000330985528 386940809 /nfs/dbraw/zinc/94/08/09/386940809.db2.gz QSIBQSUZIQFHBZ-UHFFFAOYSA-N 1 2 238.335 1.443 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccc(F)cc2)n1C ZINC000051532651 386954333 /nfs/dbraw/zinc/95/43/33/386954333.db2.gz YJQDOHAPZKVBEW-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccc(F)cc2)n1C ZINC000051532651 386954340 /nfs/dbraw/zinc/95/43/40/386954340.db2.gz YJQDOHAPZKVBEW-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C)s1 ZINC000358501358 386966790 /nfs/dbraw/zinc/96/67/90/386966790.db2.gz SLKVNTCYXBAPIZ-UHFFFAOYSA-N 1 2 215.322 1.315 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C)s1 ZINC000358501358 386966796 /nfs/dbraw/zinc/96/67/96/386966796.db2.gz SLKVNTCYXBAPIZ-UHFFFAOYSA-N 1 2 215.322 1.315 20 0 BDADLO c1cn([C@@H]2CCC[N@@H+](Cc3cscn3)C2)nn1 ZINC000425356567 386969053 /nfs/dbraw/zinc/96/90/53/386969053.db2.gz WHFSJJWGHCSDPE-LLVKDONJSA-N 1 2 249.343 1.572 20 0 BDADLO c1cn([C@@H]2CCC[N@H+](Cc3cscn3)C2)nn1 ZINC000425356567 386969056 /nfs/dbraw/zinc/96/90/56/386969056.db2.gz WHFSJJWGHCSDPE-LLVKDONJSA-N 1 2 249.343 1.572 20 0 BDADLO CC[C@H](OC)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332375967 386973599 /nfs/dbraw/zinc/97/35/99/386973599.db2.gz DUXPOPFBAWDGAC-UWVGGRQHSA-N 1 2 237.303 1.498 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)[nH]1 ZINC000334907607 386981643 /nfs/dbraw/zinc/98/16/43/386981643.db2.gz RMWPPIYGOZYLCN-HTRCEHHLSA-N 1 2 248.252 1.886 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)[nH]1 ZINC000334907607 386981647 /nfs/dbraw/zinc/98/16/47/386981647.db2.gz RMWPPIYGOZYLCN-HTRCEHHLSA-N 1 2 248.252 1.886 20 0 BDADLO CC(C)COCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000368513528 386982169 /nfs/dbraw/zinc/98/21/69/386982169.db2.gz FPGGMXKOHWIURA-ZDUSSCGKSA-N 1 2 243.347 1.150 20 0 BDADLO CC(C)COCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000368513528 386982174 /nfs/dbraw/zinc/98/21/74/386982174.db2.gz FPGGMXKOHWIURA-ZDUSSCGKSA-N 1 2 243.347 1.150 20 0 BDADLO CCCn1cc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000353001832 386986961 /nfs/dbraw/zinc/98/69/61/386986961.db2.gz GWBBUHMHNWSRCS-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO CCCn1cc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000353001832 386986965 /nfs/dbraw/zinc/98/69/65/386986965.db2.gz GWBBUHMHNWSRCS-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](CO)C2)s1 ZINC000358627343 386989270 /nfs/dbraw/zinc/98/92/70/386989270.db2.gz VXZJOGWXYNGBLR-VIFPVBQESA-N 1 2 227.333 1.051 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](CO)C2)s1 ZINC000358627343 386989274 /nfs/dbraw/zinc/98/92/74/386989274.db2.gz VXZJOGWXYNGBLR-VIFPVBQESA-N 1 2 227.333 1.051 20 0 BDADLO FC(F)OC[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000353029696 386991977 /nfs/dbraw/zinc/99/19/77/386991977.db2.gz QMHMMOOIUFXOPT-MRVPVSSYSA-N 1 2 231.246 1.471 20 0 BDADLO FC(F)OC[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000353029696 386991979 /nfs/dbraw/zinc/99/19/79/386991979.db2.gz QMHMMOOIUFXOPT-MRVPVSSYSA-N 1 2 231.246 1.471 20 0 BDADLO COC[C@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332640597 386995977 /nfs/dbraw/zinc/99/59/77/386995977.db2.gz KDWYEAKSORIFEM-WPRPVWTQSA-N 1 2 225.292 1.407 20 0 BDADLO COC[C@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332640597 386995981 /nfs/dbraw/zinc/99/59/81/386995981.db2.gz KDWYEAKSORIFEM-WPRPVWTQSA-N 1 2 225.292 1.407 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nncn1C ZINC000519047568 386996091 /nfs/dbraw/zinc/99/60/91/386996091.db2.gz DVDUFFDNBOTGKY-JGVFFNPUSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nncn1C ZINC000519047568 386996096 /nfs/dbraw/zinc/99/60/96/386996096.db2.gz DVDUFFDNBOTGKY-JGVFFNPUSA-N 1 2 248.252 1.588 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1nnc(C)[nH]1 ZINC000331312668 387002306 /nfs/dbraw/zinc/00/23/06/387002306.db2.gz CEKKWKFNLCFZCJ-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1nnc(C)[nH]1 ZINC000331312668 387002311 /nfs/dbraw/zinc/00/23/11/387002311.db2.gz CEKKWKFNLCFZCJ-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000368674808 387003226 /nfs/dbraw/zinc/00/32/26/387003226.db2.gz DHGZJAYWJQOVDY-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000368674808 387003231 /nfs/dbraw/zinc/00/32/31/387003231.db2.gz DHGZJAYWJQOVDY-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000331314544 387003435 /nfs/dbraw/zinc/00/34/35/387003435.db2.gz IPXNNLXKQLRGJQ-VIFPVBQESA-N 1 2 238.287 1.693 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CCC[C@H](C)C2)n1 ZINC000331314544 387003441 /nfs/dbraw/zinc/00/34/41/387003441.db2.gz IPXNNLXKQLRGJQ-VIFPVBQESA-N 1 2 238.287 1.693 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)o1 ZINC000332729493 387006502 /nfs/dbraw/zinc/00/65/02/387006502.db2.gz TZEJUKZNOPHLMN-BDAKNGLRSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)o1 ZINC000332729493 387006503 /nfs/dbraw/zinc/00/65/03/387006503.db2.gz TZEJUKZNOPHLMN-BDAKNGLRSA-N 1 2 225.292 1.148 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2cncnc2C1 ZINC000332730539 387006514 /nfs/dbraw/zinc/00/65/14/387006514.db2.gz VOSXNQZXAHDMTO-JTQLQIEISA-N 1 2 220.276 1.149 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCc2cncnc2C1 ZINC000332730539 387006515 /nfs/dbraw/zinc/00/65/15/387006515.db2.gz VOSXNQZXAHDMTO-JTQLQIEISA-N 1 2 220.276 1.149 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000334820463 386950385 /nfs/dbraw/zinc/95/03/85/386950385.db2.gz XNKCURUIVPHYMA-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000334820463 386950389 /nfs/dbraw/zinc/95/03/89/386950389.db2.gz XNKCURUIVPHYMA-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCCO1 ZINC000333352821 387030156 /nfs/dbraw/zinc/03/01/56/387030156.db2.gz FTDOBGAAZTXIDO-JTQLQIEISA-N 1 2 220.272 1.816 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1nncn1C ZINC000425382516 387034258 /nfs/dbraw/zinc/03/42/58/387034258.db2.gz OLCODJULHHRWHW-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO c1c[nH]c([C@@H]([NH2+][C@@H]2CCOC2)c2cccnc2)n1 ZINC000358972683 387040180 /nfs/dbraw/zinc/04/01/80/387040180.db2.gz WWIWCPOYXQVUGX-NEPJUHHUSA-N 1 2 244.298 1.273 20 0 BDADLO CC[C@H](CO)[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000358983606 387040593 /nfs/dbraw/zinc/04/05/93/387040593.db2.gz KHOXVIFNOJJCOA-VXGBXAGGSA-N 1 2 246.314 1.255 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000639363575 387044060 /nfs/dbraw/zinc/04/40/60/387044060.db2.gz RBEWVSHOGNSIMG-VHSXEESVSA-N 1 2 223.320 1.983 20 0 BDADLO Cc1cc[nH+]cc1Cn1cnc(C2CC2)n1 ZINC000334964005 387044749 /nfs/dbraw/zinc/04/47/49/387044749.db2.gz HRYJXEHXIUVPFM-UHFFFAOYSA-N 1 2 214.272 1.907 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000399040049 387046827 /nfs/dbraw/zinc/04/68/27/387046827.db2.gz BQBACPKJHODQRX-GRYCIOLGSA-N 1 2 218.300 1.679 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnccn2)C[C@H](C2CC2)O1 ZINC000514658686 387050439 /nfs/dbraw/zinc/05/04/39/387050439.db2.gz DKJICKUEZBCMQK-GXFFZTMASA-N 1 2 233.315 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnccn2)C[C@H](C2CC2)O1 ZINC000514658686 387050446 /nfs/dbraw/zinc/05/04/46/387050446.db2.gz DKJICKUEZBCMQK-GXFFZTMASA-N 1 2 233.315 1.476 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)no1 ZINC000369537360 387052406 /nfs/dbraw/zinc/05/24/06/387052406.db2.gz PXRLHPNEGOOCTA-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)no1 ZINC000369537360 387052410 /nfs/dbraw/zinc/05/24/10/387052410.db2.gz PXRLHPNEGOOCTA-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000336222721 387062115 /nfs/dbraw/zinc/06/21/15/387062115.db2.gz DVIRCNMKPXYXDD-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000336222721 387062118 /nfs/dbraw/zinc/06/21/18/387062118.db2.gz DVIRCNMKPXYXDD-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)nc1 ZINC000334978446 387064591 /nfs/dbraw/zinc/06/45/91/387064591.db2.gz DPLJAYGGQWZYJK-LBPRGKRZSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)nc1 ZINC000334978446 387064592 /nfs/dbraw/zinc/06/45/92/387064592.db2.gz DPLJAYGGQWZYJK-LBPRGKRZSA-N 1 2 233.315 1.053 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494331 387064812 /nfs/dbraw/zinc/06/48/12/387064812.db2.gz UALBUMYTZRTJCW-VHSXEESVSA-N 1 2 231.336 1.731 20 0 BDADLO CC(C)n1cncc1C[NH+]1CC(C)(CO)C1 ZINC000425373261 387014821 /nfs/dbraw/zinc/01/48/21/387014821.db2.gz VEOJTSYPCCTIIZ-UHFFFAOYSA-N 1 2 223.320 1.278 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(C)(CO)C1 ZINC000425373261 387014829 /nfs/dbraw/zinc/01/48/29/387014829.db2.gz VEOJTSYPCCTIIZ-UHFFFAOYSA-N 1 2 223.320 1.278 20 0 BDADLO CCOCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000368847111 387015428 /nfs/dbraw/zinc/01/54/28/387015428.db2.gz ZPWYHTJMZTXIGA-VIFPVBQESA-N 1 2 211.265 1.243 20 0 BDADLO CCOCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000368847111 387015433 /nfs/dbraw/zinc/01/54/33/387015433.db2.gz ZPWYHTJMZTXIGA-VIFPVBQESA-N 1 2 211.265 1.243 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)C1CC1 ZINC000358846359 387022581 /nfs/dbraw/zinc/02/25/81/387022581.db2.gz HLPQKPNSEZQVDI-MNOVXSKESA-N 1 2 243.347 1.589 20 0 BDADLO C[C@H](CC(=O)Nc1cn[nH]c1)n1cc[nH+]c1 ZINC000519163117 387025581 /nfs/dbraw/zinc/02/55/81/387025581.db2.gz QGKWQXDFYYQJOH-MRVPVSSYSA-N 1 2 219.248 1.196 20 0 BDADLO COc1nccc(C[NH+]2CC(CC(F)F)C2)n1 ZINC000425368495 387026851 /nfs/dbraw/zinc/02/68/51/387026851.db2.gz XASXSXPMVXFSNY-UHFFFAOYSA-N 1 2 243.257 1.572 20 0 BDADLO O[C@H]1C[N@H+](Cc2cn3ccsc3n2)CC12CC2 ZINC000334884611 387027452 /nfs/dbraw/zinc/02/74/52/387027452.db2.gz IXAIDGSRASGCAU-JTQLQIEISA-N 1 2 249.339 1.353 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cn3ccsc3n2)CC12CC2 ZINC000334884611 387027456 /nfs/dbraw/zinc/02/74/56/387027456.db2.gz IXAIDGSRASGCAU-JTQLQIEISA-N 1 2 249.339 1.353 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCOCC(C)C)CC2 ZINC000369121587 387029572 /nfs/dbraw/zinc/02/95/72/387029572.db2.gz HMQHFMRUEYGDMI-UHFFFAOYSA-N 1 2 237.347 1.680 20 0 BDADLO CCOC1(C)CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000334981945 387070224 /nfs/dbraw/zinc/07/02/24/387070224.db2.gz URJTYOHRAFAJJJ-UHFFFAOYSA-N 1 2 249.314 1.455 20 0 BDADLO COc1cc(C)c(C[NH+]2CCOCC2)c(C)n1 ZINC000359245553 387073328 /nfs/dbraw/zinc/07/33/28/387073328.db2.gz ZVYUHWVOMOFHRP-UHFFFAOYSA-N 1 2 236.315 1.539 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000246330935 387074381 /nfs/dbraw/zinc/07/43/81/387074381.db2.gz XUMHDUGXFMGQCD-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000246330935 387074383 /nfs/dbraw/zinc/07/43/83/387074383.db2.gz XUMHDUGXFMGQCD-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COC(=O)[C@@H]([NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000425966733 387074999 /nfs/dbraw/zinc/07/49/99/387074999.db2.gz MCHAUCSWERFILB-IBUXWKBASA-N 1 2 246.310 1.636 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@]1(C)C[C@@H]1F ZINC000424863287 387076165 /nfs/dbraw/zinc/07/61/65/387076165.db2.gz ACRWXZRSTSKBGC-AUTRQRHGSA-N 1 2 239.294 1.828 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@](F)(CO)C2)c(C)s1 ZINC000336244821 387081298 /nfs/dbraw/zinc/08/12/98/387081298.db2.gz JYYBQPRAIGDYDF-LLVKDONJSA-N 1 2 244.335 1.666 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@](F)(CO)C2)c(C)s1 ZINC000336244821 387081301 /nfs/dbraw/zinc/08/13/01/387081301.db2.gz JYYBQPRAIGDYDF-LLVKDONJSA-N 1 2 244.335 1.666 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)Cc2cnnn2C)c1 ZINC000352342654 387091964 /nfs/dbraw/zinc/09/19/64/387091964.db2.gz WNELEVLHXJXLBT-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)Cc2cnnn2C)c1 ZINC000352342654 387091971 /nfs/dbraw/zinc/09/19/71/387091971.db2.gz WNELEVLHXJXLBT-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO C[C@H]1CCC[C@@H](C[NH+]2CC(S(C)(=O)=O)C2)C1 ZINC000418084881 387093809 /nfs/dbraw/zinc/09/38/09/387093809.db2.gz RZWSBPMXHIIMGA-WDEREUQCSA-N 1 2 245.388 1.542 20 0 BDADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)CC(C)C ZINC000418090423 387098718 /nfs/dbraw/zinc/09/87/18/387098718.db2.gz CPSOHTYHBBQEBH-NSHDSACASA-N 1 2 211.309 1.560 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000336279747 387111519 /nfs/dbraw/zinc/11/15/19/387111519.db2.gz SYNFGZADIRLKPT-SNVBAGLBSA-N 1 2 228.267 1.462 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000336279747 387111521 /nfs/dbraw/zinc/11/15/21/387111521.db2.gz SYNFGZADIRLKPT-SNVBAGLBSA-N 1 2 228.267 1.462 20 0 BDADLO Cc1ccnc(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000359522911 387117560 /nfs/dbraw/zinc/11/75/60/387117560.db2.gz ROPVVSOTUHXOKV-CYBMUJFWSA-N 1 2 243.310 1.608 20 0 BDADLO C[C@@H]1CCCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335027361 387120150 /nfs/dbraw/zinc/12/01/50/387120150.db2.gz GDXNFQVTKQUWOY-ZJUUUORDSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1ccc(NC(=O)CN2CCCC2=O)c(C)[nH+]1 ZINC000119337232 387121669 /nfs/dbraw/zinc/12/16/69/387121669.db2.gz GAMJZUOYKWVFRN-UHFFFAOYSA-N 1 2 247.298 1.259 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@H]1F ZINC000334980469 387068009 /nfs/dbraw/zinc/06/80/09/387068009.db2.gz LQYMIVOEEDFQDN-KOLCDFICSA-N 1 2 237.278 1.824 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1c[nH]nc1C ZINC000353151046 387146067 /nfs/dbraw/zinc/14/60/67/387146067.db2.gz FAAZGZLYFRCVBV-UHFFFAOYSA-N 1 2 225.292 1.102 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1c[nH]nc1C ZINC000353151046 387146078 /nfs/dbraw/zinc/14/60/78/387146078.db2.gz FAAZGZLYFRCVBV-UHFFFAOYSA-N 1 2 225.292 1.102 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCSC2)o1 ZINC000120041023 387150606 /nfs/dbraw/zinc/15/06/06/387150606.db2.gz NMJNAZWZAFXHDU-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCSC2)o1 ZINC000120041023 387150610 /nfs/dbraw/zinc/15/06/10/387150610.db2.gz NMJNAZWZAFXHDU-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353187911 387153093 /nfs/dbraw/zinc/15/30/93/387153093.db2.gz FPMMGMDWCDIUEY-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353187911 387153101 /nfs/dbraw/zinc/15/31/01/387153101.db2.gz FPMMGMDWCDIUEY-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2(C)CC2)n1 ZINC000336338217 387163339 /nfs/dbraw/zinc/16/33/39/387163339.db2.gz HEHPVARFQCXYKF-UHFFFAOYSA-N 1 2 218.260 1.445 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000336338774 387163840 /nfs/dbraw/zinc/16/38/40/387163840.db2.gz NKSMVENFBDIMBP-LBPRGKRZSA-N 1 2 237.347 1.932 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000336338774 387163844 /nfs/dbraw/zinc/16/38/44/387163844.db2.gz NKSMVENFBDIMBP-LBPRGKRZSA-N 1 2 237.347 1.932 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1CCOCC1CC1 ZINC000353283732 387170187 /nfs/dbraw/zinc/17/01/87/387170187.db2.gz BCYJYGAFLJZXAE-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1CCOCC1CC1 ZINC000353283732 387170194 /nfs/dbraw/zinc/17/01/94/387170194.db2.gz BCYJYGAFLJZXAE-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO Cc1cnc(CNc2nc(C)[nH+]cc2C)s1 ZINC000571775767 387170590 /nfs/dbraw/zinc/17/05/90/387170590.db2.gz HJGHBINMDAADDE-UHFFFAOYSA-N 1 2 234.328 1.892 20 0 BDADLO c1noc(C2CC2)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000371198720 387172841 /nfs/dbraw/zinc/17/28/41/387172841.db2.gz OOIBIRDWUVPMNX-TXEJJXNPSA-N 1 2 234.299 1.915 20 0 BDADLO c1noc(C2CC2)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000371198720 387172847 /nfs/dbraw/zinc/17/28/47/387172847.db2.gz OOIBIRDWUVPMNX-TXEJJXNPSA-N 1 2 234.299 1.915 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507982 387175474 /nfs/dbraw/zinc/17/54/74/387175474.db2.gz BVEGUAPVHSZCDM-QWRGUYRKSA-N 1 2 240.347 1.202 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507982 387175479 /nfs/dbraw/zinc/17/54/79/387175479.db2.gz BVEGUAPVHSZCDM-QWRGUYRKSA-N 1 2 240.347 1.202 20 0 BDADLO CC(C)(NC(=O)[C@@]12C[C@@H]1CCC2)c1[nH]cc[nH+]1 ZINC000571889057 387193868 /nfs/dbraw/zinc/19/38/68/387193868.db2.gz ZUYCOJNPCPPDJO-ZANVPECISA-N 1 2 233.315 1.951 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000424581927 387183004 /nfs/dbraw/zinc/18/30/04/387183004.db2.gz HBHGCKBPPFMURX-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000424581928 387183119 /nfs/dbraw/zinc/18/31/19/387183119.db2.gz HBHGCKBPPFMURX-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000336352410 387183896 /nfs/dbraw/zinc/18/38/96/387183896.db2.gz UEAQDRIUOWSFFX-WDEREUQCSA-N 1 2 221.304 1.173 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CC1CC1)CCC2 ZINC000371295934 387187254 /nfs/dbraw/zinc/18/72/54/387187254.db2.gz VWLHLSIJWXCTRJ-GFCCVEGCSA-N 1 2 247.342 1.985 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@]23CCOC3)no1 ZINC000370738168 387138262 /nfs/dbraw/zinc/13/82/62/387138262.db2.gz JJWOPYUHACCSLA-LLVKDONJSA-N 1 2 223.276 1.133 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@]23CCOC3)no1 ZINC000370738168 387138267 /nfs/dbraw/zinc/13/82/67/387138267.db2.gz JJWOPYUHACCSLA-LLVKDONJSA-N 1 2 223.276 1.133 20 0 BDADLO CCn1c[nH+]cc1CN(CC(F)F)C[C@H](C)O ZINC000418112574 387202321 /nfs/dbraw/zinc/20/23/21/387202321.db2.gz IDCSXVSSYDNNTD-VIFPVBQESA-N 1 2 247.289 1.351 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1NCC(F)(F)C[NH3+] ZINC000423350398 387203663 /nfs/dbraw/zinc/20/36/63/387203663.db2.gz ZGQVOIKBFKMVSX-RKDXNWHRSA-N 1 2 220.307 1.995 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCc3ccccc32)n1 ZINC000090969323 387204645 /nfs/dbraw/zinc/20/46/45/387204645.db2.gz OGWZZPSJEQKWMI-LBPRGKRZSA-N 1 2 228.299 1.592 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000360000027 387210410 /nfs/dbraw/zinc/21/04/10/387210410.db2.gz JTHBZBALTCCOJO-IJLUTSLNSA-N 1 2 235.331 1.824 20 0 BDADLO O=C(C1=CCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336385829 387216677 /nfs/dbraw/zinc/21/66/77/387216677.db2.gz ZUVBIMGKXJHXOR-ZDUSSCGKSA-N 1 2 244.294 1.782 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccon1 ZINC000371461342 387217009 /nfs/dbraw/zinc/21/70/09/387217009.db2.gz XGCDGWOSCXZQOR-JTQLQIEISA-N 1 2 246.270 1.385 20 0 BDADLO CC(C)(C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000353506119 387217183 /nfs/dbraw/zinc/21/71/83/387217183.db2.gz ZJCMXYHFJKMQFH-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CCCc1cc(=NC(=O)CCc2[nH]cc[nH+]2)[nH][nH]1 ZINC000353503932 387217820 /nfs/dbraw/zinc/21/78/20/387217820.db2.gz XXTITDCDPLEYRS-UHFFFAOYSA-N 1 2 247.302 1.079 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)s1 ZINC000230015832 387226694 /nfs/dbraw/zinc/22/66/94/387226694.db2.gz AXMHCKRRDWVIPZ-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)s1 ZINC000230015832 387226697 /nfs/dbraw/zinc/22/66/97/387226697.db2.gz AXMHCKRRDWVIPZ-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2[nH]c(=O)oc21 ZINC000352472359 387231086 /nfs/dbraw/zinc/23/10/86/387231086.db2.gz CHJYWRQSSKKQMS-UHFFFAOYSA-N 1 2 244.254 1.879 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C=CCCC1)C1CC1 ZINC000284831350 387232836 /nfs/dbraw/zinc/23/28/36/387232836.db2.gz BIBPHAINWISUNJ-MNOVXSKESA-N 1 2 209.289 1.636 20 0 BDADLO C[C@@H](O)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292877863 387232919 /nfs/dbraw/zinc/23/29/19/387232919.db2.gz XSQAQJPQXJYTTM-PSASIEDQSA-N 1 2 215.243 1.963 20 0 BDADLO CC(C)(C(=O)N1C[C@H]2CCC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000336409394 387238572 /nfs/dbraw/zinc/23/85/72/387238572.db2.gz DWSDWCQVXGLUDS-GHMZBOCLSA-N 1 2 247.342 1.946 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)COC)no1 ZINC000353605960 387240152 /nfs/dbraw/zinc/24/01/52/387240152.db2.gz CSQSSMBRULCGTQ-IUCAKERBSA-N 1 2 243.307 1.292 20 0 BDADLO O=C(CC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336415860 387244272 /nfs/dbraw/zinc/24/42/72/387244272.db2.gz ARUDBBVKWLDIIH-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CC(Cc2ccccc2F)C1 ZINC000371344767 387196391 /nfs/dbraw/zinc/19/63/91/387196391.db2.gz MYZPZADWSPACGW-ZDUSSCGKSA-N 1 2 249.285 1.616 20 0 BDADLO O=C1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)CN1 ZINC000336365672 387197086 /nfs/dbraw/zinc/19/70/86/387197086.db2.gz VJMMUDQBBWTTGB-SNVBAGLBSA-N 1 2 245.257 1.674 20 0 BDADLO Cc1nnsc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000572304352 387311809 /nfs/dbraw/zinc/31/18/09/387311809.db2.gz MZPPSYKGRWJCAX-UHFFFAOYSA-N 1 2 237.332 1.476 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(NCC3CC3)[nH+]cn2)CO1 ZINC000514933917 387317030 /nfs/dbraw/zinc/31/70/30/387317030.db2.gz DGUXCXPIGHXMQP-ONGXEEELSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(NCC3CC3)nc[nH+]2)CO1 ZINC000514933917 387317036 /nfs/dbraw/zinc/31/70/36/387317036.db2.gz DGUXCXPIGHXMQP-ONGXEEELSA-N 1 2 248.330 1.888 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](O)C1 ZINC000120777126 387268337 /nfs/dbraw/zinc/26/83/37/387268337.db2.gz GTZHMDHLHDSDFB-JTQLQIEISA-N 1 2 235.287 1.379 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336441812 387270549 /nfs/dbraw/zinc/27/05/49/387270549.db2.gz HCMUJPSWLJMQDX-LLVKDONJSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1ccc(N2CC[N@@H+](C(C)C)CC2=O)o1 ZINC000372089837 387271489 /nfs/dbraw/zinc/27/14/89/387271489.db2.gz XVUPHBWACLFDCX-UHFFFAOYSA-N 1 2 222.288 1.645 20 0 BDADLO Cc1ccc(N2CC[N@H+](C(C)C)CC2=O)o1 ZINC000372089837 387271493 /nfs/dbraw/zinc/27/14/93/387271493.db2.gz XVUPHBWACLFDCX-UHFFFAOYSA-N 1 2 222.288 1.645 20 0 BDADLO Cc1nn(C)cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000520823725 387275743 /nfs/dbraw/zinc/27/57/43/387275743.db2.gz LXUHNIDXEULDNY-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CCc1cc(CNc2nc(C)[nH+]cc2C)on1 ZINC000514737493 387283665 /nfs/dbraw/zinc/28/36/65/387283665.db2.gz CJEULXDLQWELKM-UHFFFAOYSA-N 1 2 232.287 1.678 20 0 BDADLO CC[C@@H]1CN(c2nc(C)[nH+]cc2C)CCO1 ZINC000514822047 387290943 /nfs/dbraw/zinc/29/09/43/387290943.db2.gz MAZMNIYNSXTBCY-LLVKDONJSA-N 1 2 221.304 1.709 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000372370868 387295123 /nfs/dbraw/zinc/29/51/23/387295123.db2.gz ZGKXERPLHOLKGO-NWDGAFQWSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000372370868 387295128 /nfs/dbraw/zinc/29/51/28/387295128.db2.gz ZGKXERPLHOLKGO-NWDGAFQWSA-N 1 2 236.290 1.974 20 0 BDADLO Cc1occc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000336469844 387298088 /nfs/dbraw/zinc/29/80/88/387298088.db2.gz RUIWYHXTASXQAB-UHFFFAOYSA-N 1 2 234.299 1.508 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000336491537 387318711 /nfs/dbraw/zinc/31/87/11/387318711.db2.gz ANADLFOOPIBVTN-DTWKUNHWSA-N 1 2 212.272 1.403 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000336491537 387318714 /nfs/dbraw/zinc/31/87/14/387318714.db2.gz ANADLFOOPIBVTN-DTWKUNHWSA-N 1 2 212.272 1.403 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)on1 ZINC000336532732 387355438 /nfs/dbraw/zinc/35/54/38/387355438.db2.gz VXNXBDCCEFMVGC-VIFPVBQESA-N 1 2 246.270 1.683 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648592491 387363221 /nfs/dbraw/zinc/36/32/21/387363221.db2.gz HJXACPYSDOUOOD-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cnccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648592491 387363224 /nfs/dbraw/zinc/36/32/24/387363224.db2.gz HJXACPYSDOUOOD-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](CO)[C@@H]2C)cc[nH+]1 ZINC000336548467 387370500 /nfs/dbraw/zinc/37/05/00/387370500.db2.gz FLDROYIGTOKWNK-QWRGUYRKSA-N 1 2 249.314 1.047 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)cs1 ZINC000373482768 387375678 /nfs/dbraw/zinc/37/56/78/387375678.db2.gz HUSYTGYAARTCCQ-GHMZBOCLSA-N 1 2 224.329 1.896 20 0 BDADLO c1nc(C[N@H+]2CCC[C@H]3OCC[C@H]32)cs1 ZINC000373482768 387375685 /nfs/dbraw/zinc/37/56/85/387375685.db2.gz HUSYTGYAARTCCQ-GHMZBOCLSA-N 1 2 224.329 1.896 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000352620356 387384959 /nfs/dbraw/zinc/38/49/59/387384959.db2.gz BXXKNYAUFAVJPV-ZJUUUORDSA-N 1 2 207.277 1.045 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNc1cnccn1)CCC2 ZINC000372736641 387325910 /nfs/dbraw/zinc/32/59/10/387325910.db2.gz CJFKQDCOUZILRY-LLVKDONJSA-N 1 2 243.314 1.393 20 0 BDADLO CSCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610091461 387331746 /nfs/dbraw/zinc/33/17/46/387331746.db2.gz ZGCIGOLCPFGQEI-ZETCQYMHSA-N 1 2 229.267 1.613 20 0 BDADLO CSCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610091461 387331750 /nfs/dbraw/zinc/33/17/50/387331750.db2.gz ZGCIGOLCPFGQEI-ZETCQYMHSA-N 1 2 229.267 1.613 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ncc[nH]1 ZINC000372997507 387339588 /nfs/dbraw/zinc/33/95/88/387339588.db2.gz FLHCOLPKJMOBNC-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnnn2C2CC2)cs1 ZINC000648464979 387351918 /nfs/dbraw/zinc/35/19/18/387351918.db2.gz LUOVGTKCMPLCCG-UHFFFAOYSA-N 1 2 249.343 1.668 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336603110 387447424 /nfs/dbraw/zinc/44/74/24/387447424.db2.gz PMCAZQOZMSJAQB-UHFFFAOYSA-N 1 2 248.326 1.229 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000336603110 387447431 /nfs/dbraw/zinc/44/74/31/387447431.db2.gz PMCAZQOZMSJAQB-UHFFFAOYSA-N 1 2 248.326 1.229 20 0 BDADLO CCC[C@@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OC ZINC000354920091 387449148 /nfs/dbraw/zinc/44/91/48/387449148.db2.gz KBDJEPHZPKADOX-HTAVTVPLSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cn[nH]c2)oc1C ZINC000303621386 387385783 /nfs/dbraw/zinc/38/57/83/387385783.db2.gz OLTSXXYSSIHWIN-QMMMGPOBSA-N 1 2 220.276 1.865 20 0 BDADLO Cc1c([C@@H]2CCC[N@@H+]2[C@@H]2CCOC2=O)cnn1C ZINC000361067773 387396382 /nfs/dbraw/zinc/39/63/82/387396382.db2.gz FHUQLCAWKQHOOW-NWDGAFQWSA-N 1 2 249.314 1.181 20 0 BDADLO Cc1c([C@@H]2CCC[N@H+]2[C@@H]2CCOC2=O)cnn1C ZINC000361067773 387396386 /nfs/dbraw/zinc/39/63/86/387396386.db2.gz FHUQLCAWKQHOOW-NWDGAFQWSA-N 1 2 249.314 1.181 20 0 BDADLO CC(C)SCC(=O)NCCn1cc[nH+]c1 ZINC000515596295 387402582 /nfs/dbraw/zinc/40/25/82/387402582.db2.gz YVQJKRQORLLVCQ-UHFFFAOYSA-N 1 2 227.333 1.141 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000516129062 387460656 /nfs/dbraw/zinc/46/06/56/387460656.db2.gz ZBDVNRJTZSMDEU-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000516129062 387460659 /nfs/dbraw/zinc/46/06/59/387460659.db2.gz ZBDVNRJTZSMDEU-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H]1C[C@H](C[NH+]2CC(F)C2)CCO1 ZINC000336618704 387460737 /nfs/dbraw/zinc/46/07/37/387460737.db2.gz NEQJHSQKBYSZOI-KOLCDFICSA-N 1 2 201.285 1.845 20 0 BDADLO Cc1nc(C)c(NCCc2cn(C)c[nH+]2)nc1C ZINC000396852504 387502769 /nfs/dbraw/zinc/50/27/69/387502769.db2.gz MURMIRAQGMRILO-UHFFFAOYSA-N 1 2 245.330 1.790 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nccn2C)cn1 ZINC000375031918 387506724 /nfs/dbraw/zinc/50/67/24/387506724.db2.gz QBRYGSGBJNNIPE-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nccn2C)cn1 ZINC000375031918 387506727 /nfs/dbraw/zinc/50/67/27/387506727.db2.gz QBRYGSGBJNNIPE-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO CCC1(CNC(=O)Nc2cc[nH+]cc2C)COC1 ZINC000572456890 387507612 /nfs/dbraw/zinc/50/76/12/387507612.db2.gz DPNXPOUSNKCVPR-UHFFFAOYSA-N 1 2 249.314 1.360 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000361646896 387515514 /nfs/dbraw/zinc/51/55/14/387515514.db2.gz WQEZQICZPLDHOZ-GHMZBOCLSA-N 1 2 245.319 1.023 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000361646896 387515520 /nfs/dbraw/zinc/51/55/20/387515520.db2.gz WQEZQICZPLDHOZ-GHMZBOCLSA-N 1 2 245.319 1.023 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000352820582 387517955 /nfs/dbraw/zinc/51/79/55/387517955.db2.gz BCKXBMXFHCVFKL-QWRGUYRKSA-N 1 2 234.347 1.433 20 0 BDADLO Cc1cn[nH]c1CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000352820582 387517960 /nfs/dbraw/zinc/51/79/60/387517960.db2.gz BCKXBMXFHCVFKL-QWRGUYRKSA-N 1 2 234.347 1.433 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@H](OCC3CC3)C2)[nH]1 ZINC000375300292 387524402 /nfs/dbraw/zinc/52/44/02/387524402.db2.gz ZCFQEWZTRMZUFZ-ZDUSSCGKSA-N 1 2 235.331 1.801 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)[nH]1 ZINC000375300292 387524409 /nfs/dbraw/zinc/52/44/09/387524409.db2.gz ZCFQEWZTRMZUFZ-ZDUSSCGKSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](CCC(=O)Nc1cccnc1)CC(F)F ZINC000361708244 387524522 /nfs/dbraw/zinc/52/45/22/387524522.db2.gz YQIWZKRZLLYJST-UHFFFAOYSA-N 1 2 243.257 1.607 20 0 BDADLO C[N@@H+](CCC(=O)Nc1cccnc1)CC(F)F ZINC000361708244 387524524 /nfs/dbraw/zinc/52/45/24/387524524.db2.gz YQIWZKRZLLYJST-UHFFFAOYSA-N 1 2 243.257 1.607 20 0 BDADLO c1cnc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000361756703 387531240 /nfs/dbraw/zinc/53/12/40/387531240.db2.gz VQHXCRTYNHDGPC-CYBMUJFWSA-N 1 2 247.342 1.868 20 0 BDADLO c1cnc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000361756703 387531247 /nfs/dbraw/zinc/53/12/47/387531247.db2.gz VQHXCRTYNHDGPC-CYBMUJFWSA-N 1 2 247.342 1.868 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2cncnc2)[nH]1 ZINC000375354815 387532908 /nfs/dbraw/zinc/53/29/08/387532908.db2.gz HPFDHSZHZFOJOS-NSHDSACASA-N 1 2 229.287 1.537 20 0 BDADLO CC[C@H](CSc1nc(N)cc(C)[nH+]1)OC ZINC000397031984 387534447 /nfs/dbraw/zinc/53/44/47/387534447.db2.gz QHXIAEJIEXHYIX-MRVPVSSYSA-N 1 2 227.333 1.715 20 0 BDADLO CC[C@@H](CSc1nc(N)cc(C)[nH+]1)OC ZINC000397031985 387534594 /nfs/dbraw/zinc/53/45/94/387534594.db2.gz QHXIAEJIEXHYIX-QMMMGPOBSA-N 1 2 227.333 1.715 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1C1CC1 ZINC000361817231 387537653 /nfs/dbraw/zinc/53/76/53/387537653.db2.gz XYIWCLQIYHYPSS-NSHDSACASA-N 1 2 243.314 1.742 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000417970827 387538283 /nfs/dbraw/zinc/53/82/83/387538283.db2.gz AHSNZANFYYUGTP-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000417970827 387538286 /nfs/dbraw/zinc/53/82/86/387538286.db2.gz AHSNZANFYYUGTP-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CC1CCCC1)[C@@H](C)O ZINC000355043124 387469734 /nfs/dbraw/zinc/46/97/34/387469734.db2.gz UFLKYGJQNRIHCK-CKYFFXLPSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCO2)s1 ZINC000355051611 387470121 /nfs/dbraw/zinc/47/01/21/387470121.db2.gz CBTVRHSBEWSSFD-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCO2)s1 ZINC000355051611 387470126 /nfs/dbraw/zinc/47/01/26/387470126.db2.gz CBTVRHSBEWSSFD-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CCCCCC1)[C@@H](C)O ZINC000355042700 387470469 /nfs/dbraw/zinc/47/04/69/387470469.db2.gz QWUNBAVZDRFHRY-PWSUYJOCSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOC(C)(C)C2)s1 ZINC000367380135 387471489 /nfs/dbraw/zinc/47/14/89/387471489.db2.gz PVSQSWSLVBETAF-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOC(C)(C)C2)s1 ZINC000367380135 387471496 /nfs/dbraw/zinc/47/14/96/387471496.db2.gz PVSQSWSLVBETAF-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO COC[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(=O)OC ZINC000355070410 387473984 /nfs/dbraw/zinc/47/39/84/387473984.db2.gz ZPGZPBDLRCIKSF-FOGDFJRCSA-N 1 2 243.347 1.589 20 0 BDADLO COC[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000355070414 387474850 /nfs/dbraw/zinc/47/48/50/387474850.db2.gz ZPGZPBDLRCIKSF-NOOOWODRSA-N 1 2 243.347 1.589 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)OC ZINC000355078945 387477689 /nfs/dbraw/zinc/47/76/89/387477689.db2.gz CFOSIVLHLBBCHK-KKOKHZNYSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C/C=C\c1ccccc1 ZINC000426144673 387542195 /nfs/dbraw/zinc/54/21/95/387542195.db2.gz GGEBWNGNETYDGE-OYVUYXNMSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C/C=C\c1ccccc1 ZINC000426144673 387542198 /nfs/dbraw/zinc/54/21/98/387542198.db2.gz GGEBWNGNETYDGE-OYVUYXNMSA-N 1 2 244.338 1.862 20 0 BDADLO CC[C@@H](O)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421906092 387480284 /nfs/dbraw/zinc/48/02/84/387480284.db2.gz AVYAWJQLCZQNIB-GFCCVEGCSA-N 1 2 236.315 1.476 20 0 BDADLO CC[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000421908060 387483137 /nfs/dbraw/zinc/48/31/37/387483137.db2.gz DSUZHXHLRWBKKL-QMMMGPOBSA-N 1 2 209.293 1.423 20 0 BDADLO CC[C@H](C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000421908060 387483140 /nfs/dbraw/zinc/48/31/40/387483140.db2.gz DSUZHXHLRWBKKL-QMMMGPOBSA-N 1 2 209.293 1.423 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ncc(C)o1)CC2 ZINC000374697459 387483129 /nfs/dbraw/zinc/48/31/29/387483129.db2.gz GGECKWCCGCNNST-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H](O)C1CCCCC1 ZINC000336633558 387485305 /nfs/dbraw/zinc/48/53/05/387485305.db2.gz INRFERXEIAALKW-ZDUSSCGKSA-N 1 2 248.326 1.692 20 0 BDADLO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ncn(C)n1 ZINC000396777599 387490440 /nfs/dbraw/zinc/49/04/40/387490440.db2.gz CSGVSIUKDVFTRP-RKDXNWHRSA-N 1 2 224.308 1.033 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)C(=O)OC ZINC000336790086 387582014 /nfs/dbraw/zinc/58/20/14/387582014.db2.gz VVYGDIMBPMLKOH-ZYHUDNBSSA-N 1 2 249.310 1.704 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528487453 387583005 /nfs/dbraw/zinc/58/30/05/387583005.db2.gz RFBYEUHEQPJSIT-VIFPVBQESA-N 1 2 239.344 1.372 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528487453 387583009 /nfs/dbraw/zinc/58/30/09/387583009.db2.gz RFBYEUHEQPJSIT-VIFPVBQESA-N 1 2 239.344 1.372 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000362313285 387593780 /nfs/dbraw/zinc/59/37/80/387593780.db2.gz SCOUTUYKBVLBHR-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO CCN1CC[N@H+](Cc2ccnc(C)c2)[C@@H](C)C1=O ZINC000527540336 387611239 /nfs/dbraw/zinc/61/12/39/387611239.db2.gz XKKUOOGISRIJPC-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccnc(C)c2)[C@@H](C)C1=O ZINC000527540336 387611248 /nfs/dbraw/zinc/61/12/48/387611248.db2.gz XKKUOOGISRIJPC-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccoc1 ZINC000356097213 387615885 /nfs/dbraw/zinc/61/58/85/387615885.db2.gz ZXDVPODDDAPEMT-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccoc1 ZINC000356097213 387615891 /nfs/dbraw/zinc/61/58/91/387615891.db2.gz ZXDVPODDDAPEMT-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO OC1(C(F)F)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000426247017 387550687 /nfs/dbraw/zinc/55/06/87/387550687.db2.gz XVIMMWWDVVBBLU-UHFFFAOYSA-N 1 2 231.246 1.002 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)c1 ZINC000375543930 387552392 /nfs/dbraw/zinc/55/23/92/387552392.db2.gz CGYZPDZNBBFYNB-CHWSQXEVSA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)c1 ZINC000375543930 387552395 /nfs/dbraw/zinc/55/23/95/387552395.db2.gz CGYZPDZNBBFYNB-CHWSQXEVSA-N 1 2 246.310 1.527 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1ccn(C)n1 ZINC000355606679 387557710 /nfs/dbraw/zinc/55/77/10/387557710.db2.gz MKTWZMRXRBANMF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1ccn(C)n1 ZINC000355606679 387557713 /nfs/dbraw/zinc/55/77/13/387557713.db2.gz MKTWZMRXRBANMF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2nncn2C)o1 ZINC000037989096 387570037 /nfs/dbraw/zinc/57/00/37/387570037.db2.gz ALDWFZQPXUJWPO-MWLCHTKSSA-N 1 2 246.314 1.821 20 0 BDADLO CCCCOCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362090823 387571042 /nfs/dbraw/zinc/57/10/42/387571042.db2.gz PATFVBGJDKTEFA-VXGBXAGGSA-N 1 2 247.404 1.644 20 0 BDADLO Cc1nc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)no1 ZINC000305191225 387575810 /nfs/dbraw/zinc/57/58/10/387575810.db2.gz CZKFLFHEBPILGR-WCBMZHEXSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)no1 ZINC000305191225 387575814 /nfs/dbraw/zinc/57/58/14/387575814.db2.gz CZKFLFHEBPILGR-WCBMZHEXSA-N 1 2 225.292 1.113 20 0 BDADLO Cn1nncc1C[NH2+]Cc1cc(F)ccc1F ZINC000122001652 387576292 /nfs/dbraw/zinc/57/62/92/387576292.db2.gz GMBGTGDEUXDXHR-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CO[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000362126686 387576917 /nfs/dbraw/zinc/57/69/17/387576917.db2.gz UXLAFFRYIBYVCA-JTQLQIEISA-N 1 2 221.304 1.825 20 0 BDADLO CS[C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000124724856 387631299 /nfs/dbraw/zinc/63/12/99/387631299.db2.gz SIDKCNLGXHKECF-VIFPVBQESA-N 1 2 228.361 1.045 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cc1noc(COC)n1 ZINC000356251416 387634427 /nfs/dbraw/zinc/63/44/27/387634427.db2.gz JVQOOQTUCQABLB-VIFPVBQESA-N 1 2 225.292 1.590 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cc1noc(COC)n1 ZINC000356251416 387634429 /nfs/dbraw/zinc/63/44/29/387634429.db2.gz JVQOOQTUCQABLB-VIFPVBQESA-N 1 2 225.292 1.590 20 0 BDADLO CC[C@H](CCO)NC(=O)Nc1cc[nH+]cc1C ZINC000305731875 387639064 /nfs/dbraw/zinc/63/90/64/387639064.db2.gz NTHLNACPRDQBPJ-SNVBAGLBSA-N 1 2 237.303 1.673 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356325953 387644650 /nfs/dbraw/zinc/64/46/50/387644650.db2.gz WVWXOPIUPRTLQD-CYBMUJFWSA-N 1 2 248.326 1.205 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356325953 387644651 /nfs/dbraw/zinc/64/46/51/387644651.db2.gz WVWXOPIUPRTLQD-CYBMUJFWSA-N 1 2 248.326 1.205 20 0 BDADLO CC(C)c1nc(N2CC[C@H](CO)[C@@H]2C)cc[nH+]1 ZINC000362661229 387645475 /nfs/dbraw/zinc/64/54/75/387645475.db2.gz CWPGIRDFZLETTC-WDEREUQCSA-N 1 2 235.331 1.807 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CC[C@@H](C)O ZINC000305748352 387645662 /nfs/dbraw/zinc/64/56/62/387645662.db2.gz QIRGMEFIDJHFNS-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CC[C@@H](C)O ZINC000305748352 387645665 /nfs/dbraw/zinc/64/56/65/387645665.db2.gz QIRGMEFIDJHFNS-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccn1 ZINC000362691173 387650498 /nfs/dbraw/zinc/65/04/98/387650498.db2.gz YQSISZIOQGLWCK-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccn1 ZINC000362691173 387650503 /nfs/dbraw/zinc/65/05/03/387650503.db2.gz YQSISZIOQGLWCK-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@H](NC(=O)c1ccn[nH]1)c1[nH]cc[nH+]1 ZINC000125319504 387651222 /nfs/dbraw/zinc/65/12/22/387651222.db2.gz FGJWFZVOJYPNKH-ZETCQYMHSA-N 1 2 219.248 1.014 20 0 BDADLO CC[C@@H](NC(=O)c1csnn1)c1[nH]cc[nH+]1 ZINC000125325059 387651232 /nfs/dbraw/zinc/65/12/32/387651232.db2.gz YOKBNEZSRJYBSM-ZCFIWIBFSA-N 1 2 237.288 1.142 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000356401919 387654161 /nfs/dbraw/zinc/65/41/61/387654161.db2.gz XATMJFGYMHIAAB-GARJFASQSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000356401919 387654163 /nfs/dbraw/zinc/65/41/63/387654163.db2.gz XATMJFGYMHIAAB-GARJFASQSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000356401919 387654167 /nfs/dbraw/zinc/65/41/67/387654167.db2.gz XATMJFGYMHIAAB-GARJFASQSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000356401919 387654171 /nfs/dbraw/zinc/65/41/71/387654171.db2.gz XATMJFGYMHIAAB-GARJFASQSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@](C)(O)C1CCC1 ZINC000362787341 387657820 /nfs/dbraw/zinc/65/78/20/387657820.db2.gz YGRINNWSARTORF-CYBMUJFWSA-N 1 2 234.299 1.302 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000362851551 387664508 /nfs/dbraw/zinc/66/45/08/387664508.db2.gz FZJDLVXFAZDTAO-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000362851551 387664511 /nfs/dbraw/zinc/66/45/11/387664511.db2.gz FZJDLVXFAZDTAO-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000356596726 387680077 /nfs/dbraw/zinc/68/00/77/387680077.db2.gz QUIRCINKICCHOX-ZJUUUORDSA-N 1 2 221.304 1.660 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cnccc2C)n1 ZINC000527733382 387682687 /nfs/dbraw/zinc/68/26/87/387682687.db2.gz DXZANSKYKMDFJR-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CC[C@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000422793151 387696407 /nfs/dbraw/zinc/69/64/07/387696407.db2.gz RTLXDPUKFXGLMV-ONGXEEELSA-N 1 2 249.314 1.638 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000422787045 387686220 /nfs/dbraw/zinc/68/62/20/387686220.db2.gz LOZNSJWVNYUVDX-VAOFZXAKSA-N 1 2 235.287 1.246 20 0 BDADLO CCCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000363037720 387687752 /nfs/dbraw/zinc/68/77/52/387687752.db2.gz MKDRMDRFHAQPJT-SECBINFHSA-N 1 2 221.304 1.573 20 0 BDADLO CCCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000363037720 387687755 /nfs/dbraw/zinc/68/77/55/387687755.db2.gz MKDRMDRFHAQPJT-SECBINFHSA-N 1 2 221.304 1.573 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000356655331 387688602 /nfs/dbraw/zinc/68/86/02/387688602.db2.gz DCKNYCHJTJGIEI-NXEZZACHSA-N 1 2 239.294 1.310 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccco1 ZINC000157131953 387744834 /nfs/dbraw/zinc/74/48/34/387744834.db2.gz YDSPSYYCHBVHKS-NSHDSACASA-N 1 2 223.272 1.807 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccco1 ZINC000157131953 387744839 /nfs/dbraw/zinc/74/48/39/387744839.db2.gz YDSPSYYCHBVHKS-NSHDSACASA-N 1 2 223.272 1.807 20 0 BDADLO CC[N@H+](CCCO)Cc1noc(C2CC2)n1 ZINC000128483019 387747308 /nfs/dbraw/zinc/74/73/08/387747308.db2.gz XZGUYQREXISAKL-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CC[N@@H+](CCCO)Cc1noc(C2CC2)n1 ZINC000128483019 387747317 /nfs/dbraw/zinc/74/73/17/387747317.db2.gz XZGUYQREXISAKL-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(C(C)C)no1 ZINC000128479021 387748054 /nfs/dbraw/zinc/74/80/54/387748054.db2.gz OCSKJPYPKWUBFF-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(C(C)C)no1 ZINC000128479021 387748056 /nfs/dbraw/zinc/74/80/56/387748056.db2.gz OCSKJPYPKWUBFF-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO Cc1cn2c([nH+]1)CN([C@@H](C)c1noc(C)n1)CC2 ZINC000377883772 387753914 /nfs/dbraw/zinc/75/39/14/387753914.db2.gz LBWDZKNDXQCNQY-VIFPVBQESA-N 1 2 247.302 1.460 20 0 BDADLO COC(=O)CCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000363234375 387699190 /nfs/dbraw/zinc/69/91/90/387699190.db2.gz KWZPJSQWBLYYGF-SECBINFHSA-N 1 2 239.275 1.160 20 0 BDADLO COC(=O)CCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000363234375 387699193 /nfs/dbraw/zinc/69/91/93/387699193.db2.gz KWZPJSQWBLYYGF-SECBINFHSA-N 1 2 239.275 1.160 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000452036199 387707522 /nfs/dbraw/zinc/70/75/22/387707522.db2.gz PHUGAMPDVYDQOJ-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccc(F)cc3n2C)C[C@@H]1O ZINC000431423414 387708115 /nfs/dbraw/zinc/70/81/15/387708115.db2.gz USEONFHQOBBZCQ-PELKAZGASA-N 1 2 249.289 1.529 20 0 BDADLO CCC[C@]1(CO)CC[N@H+](Cc2noc(C)n2)C1 ZINC000377598599 387731164 /nfs/dbraw/zinc/73/11/64/387731164.db2.gz BKGPUVBTNBSLKH-LBPRGKRZSA-N 1 2 239.319 1.363 20 0 BDADLO CCC[C@]1(CO)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000377598599 387731172 /nfs/dbraw/zinc/73/11/72/387731172.db2.gz BKGPUVBTNBSLKH-LBPRGKRZSA-N 1 2 239.319 1.363 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]CCOC(C)C)no1 ZINC000441237047 387739182 /nfs/dbraw/zinc/73/91/82/387739182.db2.gz VXIHKIWINAFREG-UHFFFAOYSA-N 1 2 241.335 1.882 20 0 BDADLO CCOC[C@@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000527911398 387764891 /nfs/dbraw/zinc/76/48/91/387764891.db2.gz JOTGLJYFZKZFSZ-LLVKDONJSA-N 1 2 236.315 1.953 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@H]1CCCOC1 ZINC000527882410 387771648 /nfs/dbraw/zinc/77/16/48/387771648.db2.gz FKIKVEVOSCXXPS-LLVKDONJSA-N 1 2 236.315 1.953 20 0 BDADLO c1n[nH]cc1C1CC[NH+](Cc2csnn2)CC1 ZINC000378347756 387779455 /nfs/dbraw/zinc/77/94/55/387779455.db2.gz DVNFLJRYHYMYGZ-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO Cc1ncc(CNc2cccc(CO)[nH+]2)cn1 ZINC000432735362 387812469 /nfs/dbraw/zinc/81/24/69/387812469.db2.gz IETPMJHWLBXJPP-UHFFFAOYSA-N 1 2 230.271 1.284 20 0 BDADLO COC1(CNc2c[nH+]ccc2C)CCOCC1 ZINC000432403083 387787075 /nfs/dbraw/zinc/78/70/75/387787075.db2.gz ASYKWGBQWCCEOS-UHFFFAOYSA-N 1 2 236.315 1.998 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000378569007 387788801 /nfs/dbraw/zinc/78/88/01/387788801.db2.gz YPNZCMXUGPLOIW-ZETCQYMHSA-N 1 2 247.220 1.646 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn(CC)n1)c1cnn(C)c1 ZINC000527921755 387789625 /nfs/dbraw/zinc/78/96/25/387789625.db2.gz QDPRNBOSESCOCJ-LBPRGKRZSA-N 1 2 248.334 1.272 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1cnn(C)c1 ZINC000527921754 387789670 /nfs/dbraw/zinc/78/96/70/387789670.db2.gz QDPRNBOSESCOCJ-GFCCVEGCSA-N 1 2 248.334 1.272 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@]2(CCOC2)C1 ZINC000527921699 387790420 /nfs/dbraw/zinc/79/04/20/387790420.db2.gz UEYMAAWRNASUNP-ZDUSSCGKSA-N 1 2 234.299 1.707 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)[nH]n1 ZINC000422991872 387800200 /nfs/dbraw/zinc/80/02/00/387800200.db2.gz QGYDJSZMVKAQFH-GBIKHYSHSA-N 1 2 236.363 1.237 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)n[nH]1 ZINC000422991872 387800206 /nfs/dbraw/zinc/80/02/06/387800206.db2.gz QGYDJSZMVKAQFH-GBIKHYSHSA-N 1 2 236.363 1.237 20 0 BDADLO CNc1nc(NCCCCF)[nH+]c2ccccc21 ZINC000450538933 387800782 /nfs/dbraw/zinc/80/07/82/387800782.db2.gz ITZJKLVULZMDID-UHFFFAOYSA-N 1 2 248.305 1.677 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC12CC2 ZINC000527988348 387803652 /nfs/dbraw/zinc/80/36/52/387803652.db2.gz XFUVJICAXSHCEV-VXGBXAGGSA-N 1 2 247.342 1.968 20 0 BDADLO COc1ccc[nH+]c1NCCC1CC(O)C1 ZINC000527987055 387803813 /nfs/dbraw/zinc/80/38/13/387803813.db2.gz YUGRPQMRFAFIJH-UHFFFAOYSA-N 1 2 222.288 1.663 20 0 BDADLO CCC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432822075 387827143 /nfs/dbraw/zinc/82/71/43/387827143.db2.gz FCJNQCVQDOGXQI-UHFFFAOYSA-N 1 2 210.325 1.944 20 0 BDADLO CCC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432822075 387827146 /nfs/dbraw/zinc/82/71/46/387827146.db2.gz FCJNQCVQDOGXQI-UHFFFAOYSA-N 1 2 210.325 1.944 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc2c(c1)OCO2 ZINC000054764450 387828686 /nfs/dbraw/zinc/82/86/86/387828686.db2.gz HJUAXFSHDPULMY-SECBINFHSA-N 1 2 245.282 1.989 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H](C)COCC)C(=O)OCC ZINC000432912883 387839450 /nfs/dbraw/zinc/83/94/50/387839450.db2.gz CWKOYJSCHPNQRJ-MCTUQULKSA-N 1 2 243.347 1.899 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432936035 387843613 /nfs/dbraw/zinc/84/36/13/387843613.db2.gz GNIJOSSMTFYENE-UHFFFAOYSA-N 1 2 240.351 1.571 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432936035 387843619 /nfs/dbraw/zinc/84/36/19/387843619.db2.gz GNIJOSSMTFYENE-UHFFFAOYSA-N 1 2 240.351 1.571 20 0 BDADLO C[C@H](CF)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000288171506 387850120 /nfs/dbraw/zinc/85/01/20/387850120.db2.gz ILGMSQXHEKGZOD-MRVPVSSYSA-N 1 2 224.283 1.234 20 0 BDADLO C[C@H](CF)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000288171506 387850123 /nfs/dbraw/zinc/85/01/23/387850123.db2.gz ILGMSQXHEKGZOD-MRVPVSSYSA-N 1 2 224.283 1.234 20 0 BDADLO CC(C)N1CC[N@H+](CC2=CCCC2)CC1=O ZINC000645849428 387862333 /nfs/dbraw/zinc/86/23/33/387862333.db2.gz JOWAJPDNURKYGF-UHFFFAOYSA-N 1 2 222.332 1.649 20 0 BDADLO CC(C)N1CC[N@@H+](CC2=CCCC2)CC1=O ZINC000645849428 387862337 /nfs/dbraw/zinc/86/23/37/387862337.db2.gz JOWAJPDNURKYGF-UHFFFAOYSA-N 1 2 222.332 1.649 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000528207193 387871718 /nfs/dbraw/zinc/87/17/18/387871718.db2.gz OZGHZZZTNVJHPT-XHSYRHOGSA-N 1 2 247.342 2.000 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCc1cccnn1 ZINC000236100085 387872595 /nfs/dbraw/zinc/87/25/95/387872595.db2.gz ONSRTGXEMHIMIU-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO COc1ccc(CNc2cccc(CO)[nH+]2)cn1 ZINC000432753056 387814638 /nfs/dbraw/zinc/81/46/38/387814638.db2.gz SJAYACWSWHPVSH-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO C[C@@H]1CC[C@H](c2noc(Cc3c[nH+]cn3C)n2)O1 ZINC000528246413 387876295 /nfs/dbraw/zinc/87/62/95/387876295.db2.gz WOECZNNSOUGJOD-PSASIEDQSA-N 1 2 248.286 1.634 20 0 BDADLO CCOCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000194988027 387902144 /nfs/dbraw/zinc/90/21/44/387902144.db2.gz RNTQCURJHBNTTR-GFCCVEGCSA-N 1 2 246.314 1.520 20 0 BDADLO C/C(Cl)=C/C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000528344577 387903415 /nfs/dbraw/zinc/90/34/15/387903415.db2.gz KCTWLDHREINOJW-PTDYZRSTSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C/C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000528344577 387903418 /nfs/dbraw/zinc/90/34/18/387903418.db2.gz KCTWLDHREINOJW-PTDYZRSTSA-N 1 2 237.752 1.248 20 0 BDADLO COc1nn(C)cc1NCc1c[nH+]cn1C(C)C ZINC000424186422 387904153 /nfs/dbraw/zinc/90/41/53/387904153.db2.gz HDTINYQIZPTREQ-UHFFFAOYSA-N 1 2 249.318 1.818 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCO)s1 ZINC000528349894 387906049 /nfs/dbraw/zinc/90/60/49/387906049.db2.gz QISCNEOWEWJKTM-UHFFFAOYSA-N 1 2 215.322 1.086 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCO)s1 ZINC000528349894 387906051 /nfs/dbraw/zinc/90/60/51/387906051.db2.gz QISCNEOWEWJKTM-UHFFFAOYSA-N 1 2 215.322 1.086 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2nccc(OC)n2)cn1 ZINC000424190353 387912969 /nfs/dbraw/zinc/91/29/69/387912969.db2.gz NZTVQNXKEWREAZ-UHFFFAOYSA-N 1 2 245.286 1.072 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000452777920 387916924 /nfs/dbraw/zinc/91/69/24/387916924.db2.gz QFOIWXFHSKQDOG-UTUOFQBUSA-N 1 2 247.342 1.608 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cc[nH]c2)n1 ZINC000424194424 387917204 /nfs/dbraw/zinc/91/72/04/387917204.db2.gz WMPYHCGZPFFDGC-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO CCn1cc(C[N@@H+]2CCc3ncsc3C2)cn1 ZINC000438369873 387931519 /nfs/dbraw/zinc/93/15/19/387931519.db2.gz FMYLTRQBNPLEOM-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCn1cc(C[N@H+]2CCc3ncsc3C2)cn1 ZINC000438369873 387931520 /nfs/dbraw/zinc/93/15/20/387931520.db2.gz FMYLTRQBNPLEOM-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO Cn1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)nn1 ZINC000424197293 387922936 /nfs/dbraw/zinc/92/29/36/387922936.db2.gz NWMAUZKERAOJQX-STQMWFEESA-N 1 2 246.289 1.542 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)[C@H](C)[C@H](C)O1 ZINC000438365007 387928322 /nfs/dbraw/zinc/92/83/22/387928322.db2.gz LRTCPHFKEPGZOB-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)[C@H](C)[C@H](C)O1 ZINC000438365007 387928326 /nfs/dbraw/zinc/92/83/26/387928326.db2.gz LRTCPHFKEPGZOB-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@@H](C)[C@H](C)O1 ZINC000438353787 387928882 /nfs/dbraw/zinc/92/88/82/387928882.db2.gz NUDKTCSCZHEAIT-UTLUCORTSA-N 1 2 209.293 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](C)[C@H](C)O1 ZINC000438353787 387928884 /nfs/dbraw/zinc/92/88/84/387928884.db2.gz NUDKTCSCZHEAIT-UTLUCORTSA-N 1 2 209.293 1.407 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000424306152 387962815 /nfs/dbraw/zinc/96/28/15/387962815.db2.gz HABDJGSYBKVJOI-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CC[N@H+](CCOCC1CCC1)CC(=O)OC ZINC000419195724 387963650 /nfs/dbraw/zinc/96/36/50/387963650.db2.gz VSGNMYVBYJGEDM-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO CC[N@@H+](CCOCC1CCC1)CC(=O)OC ZINC000419195724 387963655 /nfs/dbraw/zinc/96/36/55/387963655.db2.gz VSGNMYVBYJGEDM-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000424313040 387965945 /nfs/dbraw/zinc/96/59/45/387965945.db2.gz XVWFBTSVIYKHOJ-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COCCC[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000438992809 387971098 /nfs/dbraw/zinc/97/10/98/387971098.db2.gz TYCIWDCZYSBFSE-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO COCCC[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000438992809 387971104 /nfs/dbraw/zinc/97/11/04/387971104.db2.gz TYCIWDCZYSBFSE-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000245741544 387980322 /nfs/dbraw/zinc/98/03/22/387980322.db2.gz LUAQHLSJLMEYKL-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000245741544 387980325 /nfs/dbraw/zinc/98/03/25/387980325.db2.gz LUAQHLSJLMEYKL-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO C[N@H+](CCC[C@H]1CCOC1)Cc1nnc[nH]1 ZINC000645813477 387980382 /nfs/dbraw/zinc/98/03/82/387980382.db2.gz ULYQWOBKBGKJEZ-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO C[N@@H+](CCC[C@H]1CCOC1)Cc1nnc[nH]1 ZINC000645813477 387980386 /nfs/dbraw/zinc/98/03/86/387980386.db2.gz ULYQWOBKBGKJEZ-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO Cc1cc(N(CC2CCC2)[C@H](C)CO)nc[nH+]1 ZINC000439122009 387981810 /nfs/dbraw/zinc/98/18/10/387981810.db2.gz WLGRMYJLNFZRSR-LLVKDONJSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)s1 ZINC000446060142 387987270 /nfs/dbraw/zinc/98/72/70/387987270.db2.gz LUYLONASUPJNNY-SECBINFHSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)s1 ZINC000446060142 387987274 /nfs/dbraw/zinc/98/72/74/387987274.db2.gz LUYLONASUPJNNY-SECBINFHSA-N 1 2 241.360 1.439 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3nccn32)[C@@H](C)CO1 ZINC000245858732 387988588 /nfs/dbraw/zinc/98/85/88/387988588.db2.gz ODDZBFQNWQSKLZ-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3nccn32)[C@@H](C)CO1 ZINC000245858732 387988591 /nfs/dbraw/zinc/98/85/91/387988591.db2.gz ODDZBFQNWQSKLZ-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CN(Cc2cccc3[nH+]ccn32)[C@@H](C)CO1 ZINC000245858732 387988593 /nfs/dbraw/zinc/98/85/93/387988593.db2.gz ODDZBFQNWQSKLZ-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000446041704 387985639 /nfs/dbraw/zinc/98/56/39/387985639.db2.gz JTVIUKMOFBEEAS-JTQLQIEISA-N 1 2 247.298 1.945 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446081702 387997415 /nfs/dbraw/zinc/99/74/15/387997415.db2.gz WPWYGQXZIBSTQS-SDDRHHMPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446081702 387997418 /nfs/dbraw/zinc/99/74/18/387997418.db2.gz WPWYGQXZIBSTQS-SDDRHHMPSA-N 1 2 242.363 1.256 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446080650 387998148 /nfs/dbraw/zinc/99/81/48/387998148.db2.gz SPIWFYUFKVDIHN-LPEHRKFASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446080650 387998150 /nfs/dbraw/zinc/99/81/50/387998150.db2.gz SPIWFYUFKVDIHN-LPEHRKFASA-N 1 2 224.304 1.981 20 0 BDADLO COCc1nc(C[N@H+](C)CCCSC)no1 ZINC000439469685 388000476 /nfs/dbraw/zinc/00/04/76/388000476.db2.gz MSEHTNXSWOIWLC-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO COCc1nc(C[N@@H+](C)CCCSC)no1 ZINC000439469685 388000478 /nfs/dbraw/zinc/00/04/78/388000478.db2.gz MSEHTNXSWOIWLC-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO CC(C)C(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000439533798 388007124 /nfs/dbraw/zinc/00/71/24/388007124.db2.gz ZAWIFRNHGROJQR-UHFFFAOYSA-N 1 2 223.320 1.751 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2c(c1)OCCO2 ZINC000439563119 388010028 /nfs/dbraw/zinc/01/00/28/388010028.db2.gz VHUPHPBZVIHMSI-UHFFFAOYSA-N 1 2 246.266 1.770 20 0 BDADLO Cn1c[nH+]cc1COc1nnc2ccccn21 ZINC000439543300 388010203 /nfs/dbraw/zinc/01/02/03/388010203.db2.gz AWINOYHTGCORAH-UHFFFAOYSA-N 1 2 229.243 1.042 20 0 BDADLO O=C(CCc1ccoc1)NCc1c[nH+]c[nH]1 ZINC000439897751 388024534 /nfs/dbraw/zinc/02/45/34/388024534.db2.gz HSKWOANCDBZNSF-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO O=C(CCc1ccoc1)NCc1c[nH]c[nH+]1 ZINC000439897751 388024539 /nfs/dbraw/zinc/02/45/39/388024539.db2.gz HSKWOANCDBZNSF-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CN(CC(F)F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439845358 388022192 /nfs/dbraw/zinc/02/21/92/388022192.db2.gz YJWUQLONBYJCGG-QMMMGPOBSA-N 1 2 243.257 1.169 20 0 BDADLO CC(C)(C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440113186 388032095 /nfs/dbraw/zinc/03/20/95/388032095.db2.gz WACQXMYZNFVEAN-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1nccs1 ZINC000108422201 388033412 /nfs/dbraw/zinc/03/34/12/388033412.db2.gz VUIFMLYNMRVQAG-UHFFFAOYSA-N 1 2 227.333 1.100 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000261322026 135150484 /nfs/dbraw/zinc/15/04/84/135150484.db2.gz KAYIBYRAXXQTNO-PSASIEDQSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000261322026 135150485 /nfs/dbraw/zinc/15/04/85/135150485.db2.gz KAYIBYRAXXQTNO-PSASIEDQSA-N 1 2 203.257 1.372 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@H]2CCCS2)CC1 ZINC000082304285 388026537 /nfs/dbraw/zinc/02/65/37/388026537.db2.gz NPLFWEBIEPDQJP-SNVBAGLBSA-N 1 2 228.361 1.046 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000440537781 388053437 /nfs/dbraw/zinc/05/34/37/388053437.db2.gz ZOMDRKQXYMUBIO-MNOVXSKESA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000440537781 388053440 /nfs/dbraw/zinc/05/34/40/388053440.db2.gz ZOMDRKQXYMUBIO-MNOVXSKESA-N 1 2 230.327 1.677 20 0 BDADLO CO[C@@H]1CCN(c2cc(C)[nH+]cn2)[C@H](C)C1 ZINC000440666860 388064928 /nfs/dbraw/zinc/06/49/28/388064928.db2.gz HTAUUPANWFBKAH-GHMZBOCLSA-N 1 2 221.304 1.789 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(c2cnccn2)CC1 ZINC000440695635 388069648 /nfs/dbraw/zinc/06/96/48/388069648.db2.gz RABMZXYVLRPNTM-NSHDSACASA-N 1 2 238.310 1.347 20 0 BDADLO CC[C@@H](F)C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000440703344 388071358 /nfs/dbraw/zinc/07/13/58/388071358.db2.gz MFYHROUMZITBHP-DTWKUNHWSA-N 1 2 225.329 1.099 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000440703344 388071360 /nfs/dbraw/zinc/07/13/60/388071360.db2.gz MFYHROUMZITBHP-DTWKUNHWSA-N 1 2 225.329 1.099 20 0 BDADLO C[C@@](O)(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000336658187 388075599 /nfs/dbraw/zinc/07/55/99/388075599.db2.gz MMGACAGJFKRVCY-HRDYMLBCSA-N 1 2 239.237 1.163 20 0 BDADLO C[C@@](O)(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000336658187 388075603 /nfs/dbraw/zinc/07/56/03/388075603.db2.gz MMGACAGJFKRVCY-HRDYMLBCSA-N 1 2 239.237 1.163 20 0 BDADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc[nH]n1 ZINC000453624217 388095012 /nfs/dbraw/zinc/09/50/12/388095012.db2.gz PYBUHHTXQNJCKO-UHFFFAOYSA-N 1 2 247.346 1.801 20 0 BDADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc[nH]n1 ZINC000453624217 388095015 /nfs/dbraw/zinc/09/50/15/388095015.db2.gz PYBUHHTXQNJCKO-UHFFFAOYSA-N 1 2 247.346 1.801 20 0 BDADLO CCCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454187805 388105346 /nfs/dbraw/zinc/10/53/46/388105346.db2.gz MXSMQWQULPPHEP-NXEZZACHSA-N 1 2 236.319 1.988 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000440504824 388047433 /nfs/dbraw/zinc/04/74/33/388047433.db2.gz MWOZJTXTMJQFDZ-RBQUTUCGSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000440504824 388047435 /nfs/dbraw/zinc/04/74/35/388047435.db2.gz MWOZJTXTMJQFDZ-RBQUTUCGSA-N 1 2 221.341 1.576 20 0 BDADLO CCOC[C@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000447013225 388048585 /nfs/dbraw/zinc/04/85/85/388048585.db2.gz LEUGBBQUIVCEQH-GFCCVEGCSA-N 1 2 247.298 1.343 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000440519412 388050349 /nfs/dbraw/zinc/05/03/49/388050349.db2.gz MFVVKYKIQXOKOH-OLZOCXBDSA-N 1 2 245.338 1.862 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000440519412 388050353 /nfs/dbraw/zinc/05/03/53/388050353.db2.gz MFVVKYKIQXOKOH-OLZOCXBDSA-N 1 2 245.338 1.862 20 0 BDADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCOC2)c(C)[nH+]1 ZINC000455483631 388161458 /nfs/dbraw/zinc/16/14/58/388161458.db2.gz JESOJSYSAKDMBX-LLVKDONJSA-N 1 2 249.314 1.917 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cscn1 ZINC000195515254 388165813 /nfs/dbraw/zinc/16/58/13/388165813.db2.gz OWHRCRCPEJWOMK-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)[C@@H]1C ZINC000646252609 388170886 /nfs/dbraw/zinc/17/08/86/388170886.db2.gz GFJFGLREXYSZJP-NXEZZACHSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)[C@@H]1C ZINC000646252609 388170888 /nfs/dbraw/zinc/17/08/88/388170888.db2.gz GFJFGLREXYSZJP-NXEZZACHSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646258151 388171826 /nfs/dbraw/zinc/17/18/26/388171826.db2.gz HJGHVTSDPPRKMT-LNLATYFQSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646258151 388171828 /nfs/dbraw/zinc/17/18/28/388171828.db2.gz HJGHVTSDPPRKMT-LNLATYFQSA-N 1 2 249.314 1.108 20 0 BDADLO O=C(C[C@H]1C=CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259386 388171844 /nfs/dbraw/zinc/17/18/44/388171844.db2.gz ZXCMIGONCYVELO-JTQLQIEISA-N 1 2 231.299 1.651 20 0 BDADLO O=C(C[C@H]1C=CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259386 388171846 /nfs/dbraw/zinc/17/18/46/388171846.db2.gz ZXCMIGONCYVELO-JTQLQIEISA-N 1 2 231.299 1.651 20 0 BDADLO CC[C@H](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258470 388172184 /nfs/dbraw/zinc/17/21/84/388172184.db2.gz YPORMOJLXFGGGY-VIFPVBQESA-N 1 2 221.304 1.731 20 0 BDADLO CC[C@H](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258470 388172186 /nfs/dbraw/zinc/17/21/86/388172186.db2.gz YPORMOJLXFGGGY-VIFPVBQESA-N 1 2 221.304 1.731 20 0 BDADLO CC(C)(NC(=O)CCn1cc[nH+]c1)C1CCC1 ZINC000456143954 388181502 /nfs/dbraw/zinc/18/15/02/388181502.db2.gz JOQIZQACAJJCQG-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccc(O)cc1F ZINC000162148232 388117355 /nfs/dbraw/zinc/11/73/55/388117355.db2.gz ZQAKREKBVVWODW-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)C(C)(F)F ZINC000454615113 388125357 /nfs/dbraw/zinc/12/53/57/388125357.db2.gz JHIYUDCINOEHIV-MRVPVSSYSA-N 1 2 246.261 1.226 20 0 BDADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)C(C)(F)F ZINC000454615115 388125725 /nfs/dbraw/zinc/12/57/25/388125725.db2.gz JHIYUDCINOEHIV-QMMMGPOBSA-N 1 2 246.261 1.226 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000454606994 388125776 /nfs/dbraw/zinc/12/57/76/388125776.db2.gz DPZJBKKUJBWUKJ-MNOVXSKESA-N 1 2 236.319 1.228 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccncc2F)cn1 ZINC000449006656 388127470 /nfs/dbraw/zinc/12/74/70/388127470.db2.gz HSMPWONRKCJQSH-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccncc2F)cn1 ZINC000449006656 388127473 /nfs/dbraw/zinc/12/74/73/388127473.db2.gz HSMPWONRKCJQSH-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO CC(C)(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220130 388186164 /nfs/dbraw/zinc/18/61/64/388186164.db2.gz VUFNPZHPVDNJSD-PHIMTYICSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220130 388186166 /nfs/dbraw/zinc/18/61/66/388186166.db2.gz VUFNPZHPVDNJSD-PHIMTYICSA-N 1 2 240.347 1.012 20 0 BDADLO CC/C=C/CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000454840671 388136082 /nfs/dbraw/zinc/13/60/82/388136082.db2.gz RRSOBMCXEJXLAG-PGLGOXFNSA-N 1 2 248.330 1.463 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1F ZINC000646070448 388137097 /nfs/dbraw/zinc/13/70/97/388137097.db2.gz WAFGBUNQRRJQSE-CYBMUJFWSA-N 1 2 249.289 1.762 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)nn1C ZINC000646116107 388145051 /nfs/dbraw/zinc/14/50/51/388145051.db2.gz RYOOYMNRQVIHGO-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)nn1C ZINC000646116107 388145052 /nfs/dbraw/zinc/14/50/52/388145052.db2.gz RYOOYMNRQVIHGO-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO CC/C=C\CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000455034119 388145332 /nfs/dbraw/zinc/14/53/32/388145332.db2.gz FLEUWLQCWIHYAJ-PLNGDYQASA-N 1 2 219.288 1.900 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000449669226 388249557 /nfs/dbraw/zinc/24/95/57/388249557.db2.gz XTRWHMKXTQLREH-UWVGGRQHSA-N 1 2 215.293 1.095 20 0 BDADLO C[S@](=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000449389096 388191469 /nfs/dbraw/zinc/19/14/69/388191469.db2.gz RECXUSRXCOLBIK-ZBEGNZNMSA-N 1 2 241.331 1.968 20 0 BDADLO C[S@](=O)c1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000449389096 388191471 /nfs/dbraw/zinc/19/14/71/388191471.db2.gz RECXUSRXCOLBIK-ZBEGNZNMSA-N 1 2 241.331 1.968 20 0 BDADLO CC[N@H+](Cc1cnccc1C)C1COC1 ZINC000449422509 388200587 /nfs/dbraw/zinc/20/05/87/388200587.db2.gz DRJQYGUWEHZMEV-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1cnccc1C)C1COC1 ZINC000449422509 388200588 /nfs/dbraw/zinc/20/05/88/388200588.db2.gz DRJQYGUWEHZMEV-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[C@H]1CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000489039656 388203054 /nfs/dbraw/zinc/20/30/54/388203054.db2.gz JWJOEZGLISFVKG-VIFPVBQESA-N 1 2 221.308 1.235 20 0 BDADLO CC[C@H]1CCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000489039656 388203057 /nfs/dbraw/zinc/20/30/57/388203057.db2.gz JWJOEZGLISFVKG-VIFPVBQESA-N 1 2 221.308 1.235 20 0 BDADLO CC[N@H+](Cc1cnn(C(C)(C)C)c1)C1COC1 ZINC000449428232 388203256 /nfs/dbraw/zinc/20/32/56/388203256.db2.gz UWICUDGCPHSFDL-UHFFFAOYSA-N 1 2 237.347 1.859 20 0 BDADLO CC[N@@H+](Cc1cnn(C(C)(C)C)c1)C1COC1 ZINC000449428232 388203257 /nfs/dbraw/zinc/20/32/57/388203257.db2.gz UWICUDGCPHSFDL-UHFFFAOYSA-N 1 2 237.347 1.859 20 0 BDADLO CC[N@H+](Cc1cnn(C(C)C)c1)C1COC1 ZINC000449430379 388203578 /nfs/dbraw/zinc/20/35/78/388203578.db2.gz ZEAKOESOARYTKW-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO CC[N@@H+](Cc1cnn(C(C)C)c1)C1COC1 ZINC000449430379 388203581 /nfs/dbraw/zinc/20/35/81/388203581.db2.gz ZEAKOESOARYTKW-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO CO[C@H]([C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000456617714 388210833 /nfs/dbraw/zinc/21/08/33/388210833.db2.gz YEQVGRPKNZEHEC-RDDDGLTNSA-N 1 2 237.303 1.261 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000489414041 388211643 /nfs/dbraw/zinc/21/16/43/388211643.db2.gz PKZQOQDZEFKOLF-JTQLQIEISA-N 1 2 221.304 1.530 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489468039 388216020 /nfs/dbraw/zinc/21/60/20/388216020.db2.gz GXWGOQYRMGGBSK-GFCCVEGCSA-N 1 2 220.316 1.938 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489468039 388216023 /nfs/dbraw/zinc/21/60/23/388216023.db2.gz GXWGOQYRMGGBSK-GFCCVEGCSA-N 1 2 220.316 1.938 20 0 BDADLO CCOCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456842513 388227287 /nfs/dbraw/zinc/22/72/87/388227287.db2.gz PNLCPKHOSYFHMS-UHFFFAOYSA-N 1 2 236.315 1.741 20 0 BDADLO OCC[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000489978640 388229507 /nfs/dbraw/zinc/22/95/07/388229507.db2.gz GDAMIGRNSJEQLL-NSHDSACASA-N 1 2 233.315 1.705 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)CC[C@@H]1O ZINC000489991919 388230564 /nfs/dbraw/zinc/23/05/64/388230564.db2.gz IOSWEJBNZYNPJD-HZMBPMFUSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000490063116 388233348 /nfs/dbraw/zinc/23/33/48/388233348.db2.gz NHAYLQTVDUTMNA-RKDXNWHRSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C)[C@H]2C)[nH+]1 ZINC000490063116 388233349 /nfs/dbraw/zinc/23/33/49/388233349.db2.gz NHAYLQTVDUTMNA-RKDXNWHRSA-N 1 2 235.335 1.481 20 0 BDADLO CC[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000490078299 388234369 /nfs/dbraw/zinc/23/43/69/388234369.db2.gz UORIDOPEOANFPW-LLVKDONJSA-N 1 2 207.277 1.136 20 0 BDADLO Cc1nc(N2[C@H](C)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000490119283 388235481 /nfs/dbraw/zinc/23/54/81/388235481.db2.gz KYEXHIAMCZLFHW-DTORHVGOSA-N 1 2 235.335 1.623 20 0 BDADLO Cc1nc(N(C)C)nc(N2[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000490119283 388235482 /nfs/dbraw/zinc/23/54/82/388235482.db2.gz KYEXHIAMCZLFHW-DTORHVGOSA-N 1 2 235.335 1.623 20 0 BDADLO C[N@H+](Cc1csnn1)[C@@H](CO)CC(C)(C)C ZINC000449581524 388237499 /nfs/dbraw/zinc/23/74/99/388237499.db2.gz AQVGYDYJVQVGDJ-SNVBAGLBSA-N 1 2 243.376 1.767 20 0 BDADLO C[N@@H+](Cc1csnn1)[C@@H](CO)CC(C)(C)C ZINC000449581524 388237500 /nfs/dbraw/zinc/23/75/00/388237500.db2.gz AQVGYDYJVQVGDJ-SNVBAGLBSA-N 1 2 243.376 1.767 20 0 BDADLO COC1(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000648716369 388241612 /nfs/dbraw/zinc/24/16/12/388241612.db2.gz HBGVQRWWJARXTQ-UHFFFAOYSA-N 1 2 245.282 1.130 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CC1 ZINC000449654158 388248360 /nfs/dbraw/zinc/24/83/60/388248360.db2.gz UYHCXXZYADRYMF-PSASIEDQSA-N 1 2 246.301 1.394 20 0 BDADLO CC(C)OCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451607758 388283798 /nfs/dbraw/zinc/28/37/98/388283798.db2.gz PUSNKLCSDGXGEL-LBPRGKRZSA-N 1 2 245.363 1.977 20 0 BDADLO C/C=C/C=C\C(=O)NCc1[nH+]ccn1C ZINC000491463678 388296144 /nfs/dbraw/zinc/29/61/44/388296144.db2.gz LDLDLEYRFLBSSB-ICWBMWKASA-N 1 2 205.261 1.169 20 0 BDADLO OCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451793647 388296645 /nfs/dbraw/zinc/29/66/45/388296645.db2.gz BWKCPJQSSOCCCU-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451793647 388296648 /nfs/dbraw/zinc/29/66/48/388296648.db2.gz BWKCPJQSSOCCCU-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO CSCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451825615 388298810 /nfs/dbraw/zinc/29/88/10/388298810.db2.gz BNVAWKRZCYRKTL-QMMMGPOBSA-N 1 2 227.320 1.687 20 0 BDADLO CSCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451825615 388298812 /nfs/dbraw/zinc/29/88/12/388298812.db2.gz BNVAWKRZCYRKTL-QMMMGPOBSA-N 1 2 227.320 1.687 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1cscn1 ZINC000491754831 388318287 /nfs/dbraw/zinc/31/82/87/388318287.db2.gz ZWNKLZWRIZNEBF-NSCUHMNNSA-N 1 2 248.311 1.538 20 0 BDADLO O=C(/C=C\C1CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000492048284 388332836 /nfs/dbraw/zinc/33/28/36/388332836.db2.gz MNCBEANIKPNJIO-SZZPACECSA-N 1 2 245.326 1.840 20 0 BDADLO CCOC[C@H]([NH2+][C@H](C)C(=O)OCC)C(C)C ZINC000189803717 256612295 /nfs/dbraw/zinc/61/22/95/256612295.db2.gz FEZQTXMXPMMCIE-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO C/C=C/C=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000491925673 388328196 /nfs/dbraw/zinc/32/81/96/388328196.db2.gz OCOPGRPIHCUABU-WBOWPWJFSA-N 1 2 233.315 1.768 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)NCCn1cc[nH+]c1 ZINC000491949572 388329292 /nfs/dbraw/zinc/32/92/92/388329292.db2.gz AAANSRQMFMGCRD-ONEGZZNKSA-N 1 2 230.271 1.041 20 0 BDADLO C[N@H+](Cc1ccccn1)[C@H]1CCN(C2CC2)C1=O ZINC000451381366 388267775 /nfs/dbraw/zinc/26/77/75/388267775.db2.gz YBSXYZKMNBCBRC-ZDUSSCGKSA-N 1 2 245.326 1.277 20 0 BDADLO C[N@@H+](Cc1ccccn1)[C@H]1CCN(C2CC2)C1=O ZINC000451381366 388267776 /nfs/dbraw/zinc/26/77/76/388267776.db2.gz YBSXYZKMNBCBRC-ZDUSSCGKSA-N 1 2 245.326 1.277 20 0 BDADLO CCc1nnc(C[NH+]2CCC(CF)CC2)n1C ZINC000451389086 388268206 /nfs/dbraw/zinc/26/82/06/388268206.db2.gz PMTOARQKFWTMBM-UHFFFAOYSA-N 1 2 240.326 1.559 20 0 BDADLO CC1(C)CC[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000261529183 135155298 /nfs/dbraw/zinc/15/52/98/135155298.db2.gz PYLOPBPWHNEYDU-MRVPVSSYSA-N 1 2 206.280 1.749 20 0 BDADLO C/C=C/C=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000491248747 388279600 /nfs/dbraw/zinc/27/96/00/388279600.db2.gz FIPVZEJIZQNMHN-WRGWHIHZSA-N 1 2 219.288 1.520 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cnn(C)c1 ZINC000492321238 388341362 /nfs/dbraw/zinc/34/13/62/388341362.db2.gz QISBHHRQLNFCOY-PLNGDYQASA-N 1 2 245.286 1.288 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NOC1CCCC1 ZINC000492347518 388342329 /nfs/dbraw/zinc/34/23/29/388342329.db2.gz YJPBWWJNAFFSNB-FPLPWBNLSA-N 1 2 249.314 1.907 20 0 BDADLO C[C@@H]([NH2+]C/C=C/Cl)c1ncn(C)n1 ZINC000275613567 388345259 /nfs/dbraw/zinc/34/52/59/388345259.db2.gz SSYCZWHGUUOLHR-KGGZQZJCSA-N 1 2 200.673 1.218 20 0 BDADLO Cc1cc[nH+]c(NCN2CCC(=O)CC2)c1 ZINC000275853287 388346408 /nfs/dbraw/zinc/34/64/08/388346408.db2.gz WMGDBJWWFSXZSQ-UHFFFAOYSA-N 1 2 219.288 1.424 20 0 BDADLO CC[C@@H](COC)Nc1nc[nH+]c(N)c1Cl ZINC000233871110 388349038 /nfs/dbraw/zinc/34/90/38/388349038.db2.gz JFJJKBGXTYPFPI-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO CC[C@@H](COC)Nc1[nH+]cnc(N)c1Cl ZINC000233871110 388349039 /nfs/dbraw/zinc/34/90/39/388349039.db2.gz JFJJKBGXTYPFPI-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO CO[C@@H](CNc1nc[nH+]c(N)c1Cl)C(C)C ZINC000277293174 388353926 /nfs/dbraw/zinc/35/39/26/388353926.db2.gz BIRCAUWFNKJYHW-ZETCQYMHSA-N 1 2 244.726 1.795 20 0 BDADLO CO[C@@H](CNc1[nH+]cnc(N)c1Cl)C(C)C ZINC000277293174 388353927 /nfs/dbraw/zinc/35/39/27/388353927.db2.gz BIRCAUWFNKJYHW-ZETCQYMHSA-N 1 2 244.726 1.795 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc(Cl)cs1 ZINC000278416398 388355445 /nfs/dbraw/zinc/35/54/45/388355445.db2.gz HVMUJHPXMWDUPV-UHFFFAOYSA-N 1 2 218.709 1.319 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc(Cl)cs1 ZINC000278416398 388355446 /nfs/dbraw/zinc/35/54/46/388355446.db2.gz HVMUJHPXMWDUPV-UHFFFAOYSA-N 1 2 218.709 1.319 20 0 BDADLO CCOCC(C)(C)CNc1nc(C)[nH+]cc1C ZINC000568532139 388356262 /nfs/dbraw/zinc/35/62/62/388356262.db2.gz ZWGILOZQGONPCH-UHFFFAOYSA-N 1 2 237.347 1.990 20 0 BDADLO CCC[C@H](CNc1[nH+]cnc2c1cnn2C)OC ZINC000293673293 388358120 /nfs/dbraw/zinc/35/81/20/388358120.db2.gz MPWWPFQZWANBGU-SECBINFHSA-N 1 2 249.318 1.590 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)no1 ZINC000305786038 388375025 /nfs/dbraw/zinc/37/50/25/388375025.db2.gz AWAYMJUUALDZDR-MNOVXSKESA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)no1 ZINC000305786038 388375026 /nfs/dbraw/zinc/37/50/26/388375026.db2.gz AWAYMJUUALDZDR-MNOVXSKESA-N 1 2 239.319 1.361 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572776501 388375647 /nfs/dbraw/zinc/37/56/47/388375647.db2.gz QGISBEMOWPQIJS-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1nc(NCc2cccnn2)cc[nH+]1 ZINC000235972664 388376241 /nfs/dbraw/zinc/37/62/41/388376241.db2.gz LLCGSJKQCAQYLZ-UHFFFAOYSA-N 1 2 201.233 1.187 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)c(C)n1 ZINC000572823358 388378535 /nfs/dbraw/zinc/37/85/35/388378535.db2.gz FUEBAGOASGFKCO-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000292434573 388380771 /nfs/dbraw/zinc/38/07/71/388380771.db2.gz VDVFOPMLRANTIJ-MRVPVSSYSA-N 1 2 220.276 1.030 20 0 BDADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH2+]C ZINC000236938200 388386610 /nfs/dbraw/zinc/38/66/10/388386610.db2.gz JCGRTDKZXBGQOM-GHMZBOCLSA-N 1 2 212.337 1.633 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](OC)C1(CC)CC ZINC000236947055 388386757 /nfs/dbraw/zinc/38/67/57/388386757.db2.gz NAQNLYGGMDVZJG-GARJFASQSA-N 1 2 242.363 1.434 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2ccncc2)C1 ZINC000646577032 388387440 /nfs/dbraw/zinc/38/74/40/388387440.db2.gz DTRWCNLMJDEOJT-UHFFFAOYSA-N 1 2 233.315 1.040 20 0 BDADLO CNC(=O)[C@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000516607642 388389428 /nfs/dbraw/zinc/38/94/28/388389428.db2.gz XQSFSKDFNIGGTA-NSHDSACASA-N 1 2 248.330 1.056 20 0 BDADLO C[C@@H](NC(=O)[C@H]([NH3+])c1cscn1)C(C)(C)C ZINC000520248097 256668123 /nfs/dbraw/zinc/66/81/23/256668123.db2.gz OMVZPIGVQZJIOU-VXNVDRBHSA-N 1 2 241.360 1.694 20 0 BDADLO CS[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000294461320 388399986 /nfs/dbraw/zinc/39/99/86/388399986.db2.gz UGGWZNLEWPBMIZ-ZCFIWIBFSA-N 1 2 244.751 1.654 20 0 BDADLO CS[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000294461320 388399988 /nfs/dbraw/zinc/39/99/88/388399988.db2.gz UGGWZNLEWPBMIZ-ZCFIWIBFSA-N 1 2 244.751 1.654 20 0 BDADLO CS[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572967397 388400075 /nfs/dbraw/zinc/40/00/75/388400075.db2.gz CLLIQQROOFTOTA-ZETCQYMHSA-N 1 2 227.333 1.513 20 0 BDADLO CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000572964771 388400698 /nfs/dbraw/zinc/40/06/98/388400698.db2.gz YPBJZCAPNSJKEL-NXEZZACHSA-N 1 2 209.293 1.749 20 0 BDADLO O=C(/C=C\C1CCC1)NC1=[NH+]CCS1 ZINC000492081958 388334126 /nfs/dbraw/zinc/33/41/26/388334126.db2.gz GFZZBLJRIDTLQP-PLNGDYQASA-N 1 2 210.302 1.562 20 0 BDADLO O=C(C=Cc1ccsc1)Nc1cc[nH+]cc1O ZINC000492273511 388339843 /nfs/dbraw/zinc/33/98/43/388339843.db2.gz PDTIVEZZNQKXGP-UPHRSURJSA-N 1 2 246.291 1.923 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CC2=CCCOC2)n1 ZINC000515432350 256746083 /nfs/dbraw/zinc/74/60/83/256746083.db2.gz AZNNGFBQBXUTRH-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CC2=CCCOC2)n1 ZINC000515432350 256746085 /nfs/dbraw/zinc/74/60/85/256746085.db2.gz AZNNGFBQBXUTRH-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000515468749 388465182 /nfs/dbraw/zinc/46/51/82/388465182.db2.gz WCRUNGLABLWPRI-LDYMZIIASA-N 1 2 246.314 1.119 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000515468749 388465183 /nfs/dbraw/zinc/46/51/83/388465183.db2.gz WCRUNGLABLWPRI-LDYMZIIASA-N 1 2 246.314 1.119 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C=CCCC1 ZINC000176903208 388466725 /nfs/dbraw/zinc/46/67/25/388466725.db2.gz LNFPCTGRNXLMGH-VIFPVBQESA-N 1 2 229.287 1.884 20 0 BDADLO C[C@H](CO[C@H]1CCOC1)Nc1cccc[nH+]1 ZINC000133832035 388471102 /nfs/dbraw/zinc/47/11/02/388471102.db2.gz QBEFYAJXMXNQQV-MNOVXSKESA-N 1 2 222.288 1.688 20 0 BDADLO C[C@@H](CO[C@@H]1CCOC1)Nc1cccc[nH+]1 ZINC000133831366 388471135 /nfs/dbraw/zinc/47/11/35/388471135.db2.gz QBEFYAJXMXNQQV-WDEREUQCSA-N 1 2 222.288 1.688 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3[nH]cnc3c2)n[nH]1 ZINC000525182553 388419359 /nfs/dbraw/zinc/41/93/59/388419359.db2.gz TULUKSVGKVUALO-UHFFFAOYSA-N 1 2 227.271 1.576 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3nc[nH]c3c2)n[nH]1 ZINC000525182553 388419361 /nfs/dbraw/zinc/41/93/61/388419361.db2.gz TULUKSVGKVUALO-UHFFFAOYSA-N 1 2 227.271 1.576 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCOC1(C)C ZINC000296277739 388420462 /nfs/dbraw/zinc/42/04/62/388420462.db2.gz KSVJDBCDGIMBMX-SECBINFHSA-N 1 2 247.302 1.343 20 0 BDADLO CC(C)c1nocc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000528516951 388539255 /nfs/dbraw/zinc/53/92/55/388539255.db2.gz MBPOKOOSPRSNBQ-UHFFFAOYSA-N 1 2 248.286 1.494 20 0 BDADLO Cc1ccc(Cn2cc(C(N)=O)cn2)c(C)[nH+]1 ZINC000548470160 388541856 /nfs/dbraw/zinc/54/18/56/388541856.db2.gz SKEFTKKQBATTIJ-UHFFFAOYSA-N 1 2 230.271 1.042 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000528529701 388543510 /nfs/dbraw/zinc/54/35/10/388543510.db2.gz ZYVVRJSIIOABCB-LLGDCAAFSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000528529701 388543513 /nfs/dbraw/zinc/54/35/13/388543513.db2.gz ZYVVRJSIIOABCB-LLGDCAAFSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C\C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000528526989 388544338 /nfs/dbraw/zinc/54/43/38/388544338.db2.gz LSGHADCFQFZMSB-ZZXKWVIFSA-N 1 2 217.656 1.350 20 0 BDADLO C/C(Cl)=C\C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000528526989 388544339 /nfs/dbraw/zinc/54/43/39/388544339.db2.gz LSGHADCFQFZMSB-ZZXKWVIFSA-N 1 2 217.656 1.350 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2conc2C)s1 ZINC000339346369 388483023 /nfs/dbraw/zinc/48/30/23/388483023.db2.gz ATEFQYCZDWEZLC-ZETCQYMHSA-N 1 2 238.316 1.994 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000648901866 388487214 /nfs/dbraw/zinc/48/72/14/388487214.db2.gz FLVDQCVAQXLATG-MFKMUULPSA-N 1 2 248.330 1.250 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C2CC2)CC1 ZINC000646769582 388490817 /nfs/dbraw/zinc/49/08/17/388490817.db2.gz PCEZIKOLUYOEEV-UHFFFAOYSA-N 1 2 247.342 1.909 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000547926935 388495084 /nfs/dbraw/zinc/49/50/84/388495084.db2.gz FFDNHOZXJCNOEG-LLVKDONJSA-N 1 2 235.331 1.754 20 0 BDADLO C[C@@H](c1ccco1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000547927108 388495450 /nfs/dbraw/zinc/49/54/50/388495450.db2.gz ZXCOGQDXPNYXHN-JTQLQIEISA-N 1 2 247.298 1.775 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cn2)[C@H]1OC ZINC000547941011 388496276 /nfs/dbraw/zinc/49/62/76/388496276.db2.gz HRGATPZAQACSMN-HOSYDEDBSA-N 1 2 237.303 1.389 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135600091 388502294 /nfs/dbraw/zinc/50/22/94/388502294.db2.gz CUWCZILQSUUVSA-CYBMUJFWSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135600091 388502295 /nfs/dbraw/zinc/50/22/95/388502295.db2.gz CUWCZILQSUUVSA-CYBMUJFWSA-N 1 2 242.363 1.404 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000547999801 388502491 /nfs/dbraw/zinc/50/24/91/388502491.db2.gz QMCBQWAYVFYUOS-KOLCDFICSA-N 1 2 221.304 1.267 20 0 BDADLO CC[C@]1(C)C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000135618724 388502701 /nfs/dbraw/zinc/50/27/01/388502701.db2.gz XVNFXEOUOMCCNU-CYBMUJFWSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@]1(C)C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000135618724 388502703 /nfs/dbraw/zinc/50/27/03/388502703.db2.gz XVNFXEOUOMCCNU-CYBMUJFWSA-N 1 2 240.347 1.110 20 0 BDADLO CCn1cc(CC(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000548036853 388504935 /nfs/dbraw/zinc/50/49/35/388504935.db2.gz BVDONMHNEVIPIF-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cscn1 ZINC000397894067 388509568 /nfs/dbraw/zinc/50/95/68/388509568.db2.gz OKFOXHNDQJSSHF-SECBINFHSA-N 1 2 225.361 1.888 20 0 BDADLO C[C@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3C)O1 ZINC000397904010 388510845 /nfs/dbraw/zinc/51/08/45/388510845.db2.gz UUZPWHVJFJNFMG-DTWKUNHWSA-N 1 2 247.302 1.343 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548128751 388515241 /nfs/dbraw/zinc/51/52/41/388515241.db2.gz UHUJQFBBAOURPD-VXGBXAGGSA-N 1 2 233.315 1.559 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCn2nc(C)nc2C1 ZINC000528399080 388518850 /nfs/dbraw/zinc/51/88/50/388518850.db2.gz RCHHTVUMVGWDEY-FPYGCLRLSA-N 1 2 226.711 1.545 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCn2nc(C)nc2C1 ZINC000528399080 388518853 /nfs/dbraw/zinc/51/88/53/388518853.db2.gz RCHHTVUMVGWDEY-FPYGCLRLSA-N 1 2 226.711 1.545 20 0 BDADLO CS[C@H](CO)[C@H](C)Nc1nc(C)[nH+]cc1C ZINC000516820647 388518976 /nfs/dbraw/zinc/51/89/76/388518976.db2.gz QONSCWMZZSEFMU-WCBMZHEXSA-N 1 2 241.360 1.040 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000528402564 388520495 /nfs/dbraw/zinc/52/04/95/388520495.db2.gz HBAQARLBTAYQIQ-KJNJGPFHSA-N 1 2 242.750 1.872 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000528402564 388520497 /nfs/dbraw/zinc/52/04/97/388520497.db2.gz HBAQARLBTAYQIQ-KJNJGPFHSA-N 1 2 242.750 1.872 20 0 BDADLO CC(C)CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548190873 388520666 /nfs/dbraw/zinc/52/06/66/388520666.db2.gz OLFJFQYKOAPGAS-LLVKDONJSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000516924201 388525035 /nfs/dbraw/zinc/52/50/35/388525035.db2.gz HQCRBKCCQOZBHA-MWLCHTKSSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000516924201 388525039 /nfs/dbraw/zinc/52/50/39/388525039.db2.gz HQCRBKCCQOZBHA-MWLCHTKSSA-N 1 2 239.319 1.938 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)s2)C[C@H]1O ZINC000528433075 388525162 /nfs/dbraw/zinc/52/51/62/388525162.db2.gz XFCDFCZPFHGMHG-IONNQARKSA-N 1 2 239.344 1.228 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)s2)C[C@H]1O ZINC000528433075 388525164 /nfs/dbraw/zinc/52/51/64/388525164.db2.gz XFCDFCZPFHGMHG-IONNQARKSA-N 1 2 239.344 1.228 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCOCC12CC2 ZINC000528485978 388533655 /nfs/dbraw/zinc/53/36/55/388533655.db2.gz AHVAVJIXFWODPB-XNWCZRBMSA-N 1 2 201.697 1.994 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCOCC12CC2 ZINC000528485978 388533659 /nfs/dbraw/zinc/53/36/59/388533659.db2.gz AHVAVJIXFWODPB-XNWCZRBMSA-N 1 2 201.697 1.994 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351839191 388534529 /nfs/dbraw/zinc/53/45/29/388534529.db2.gz ZWLBAOLSQDKBNV-NXEZZACHSA-N 1 2 239.319 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351839191 388534532 /nfs/dbraw/zinc/53/45/32/388534532.db2.gz ZWLBAOLSQDKBNV-NXEZZACHSA-N 1 2 239.319 1.081 20 0 BDADLO C[N@H+](CCCO)Cc1nnc(C2CC2)s1 ZINC000528492447 388535377 /nfs/dbraw/zinc/53/53/77/388535377.db2.gz LNBXYYGCRXDXTM-UHFFFAOYSA-N 1 2 227.333 1.230 20 0 BDADLO C[N@@H+](CCCO)Cc1nnc(C2CC2)s1 ZINC000528492447 388535379 /nfs/dbraw/zinc/53/53/79/388535379.db2.gz LNBXYYGCRXDXTM-UHFFFAOYSA-N 1 2 227.333 1.230 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC=CCC1 ZINC000529868026 388594494 /nfs/dbraw/zinc/59/44/94/388594494.db2.gz VJVPQJQPIKXTMC-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315618 388604248 /nfs/dbraw/zinc/60/42/48/388604248.db2.gz MUPPOFPZFIJKSQ-VXGBXAGGSA-N 1 2 239.315 1.814 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315618 388604250 /nfs/dbraw/zinc/60/42/50/388604250.db2.gz MUPPOFPZFIJKSQ-VXGBXAGGSA-N 1 2 239.315 1.814 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000649315574 388604965 /nfs/dbraw/zinc/60/49/65/388604965.db2.gz DJZWQFBFDQBXGJ-MNOVXSKESA-N 1 2 225.288 1.424 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000649315574 388604967 /nfs/dbraw/zinc/60/49/67/388604967.db2.gz DJZWQFBFDQBXGJ-MNOVXSKESA-N 1 2 225.288 1.424 20 0 BDADLO Cc1csc(C[N@H+](C)C[C@H]2COCCO2)n1 ZINC000649317036 388606772 /nfs/dbraw/zinc/60/67/72/388606772.db2.gz ZHAAODWQTUYDPH-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO Cc1csc(C[N@@H+](C)C[C@H]2COCCO2)n1 ZINC000649317036 388606774 /nfs/dbraw/zinc/60/67/74/388606774.db2.gz ZHAAODWQTUYDPH-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO CCn1nc(C)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000530130639 388615239 /nfs/dbraw/zinc/61/52/39/388615239.db2.gz RXCUCRLXOWUIFO-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)co1 ZINC000548695700 388553120 /nfs/dbraw/zinc/55/31/20/388553120.db2.gz UESNQLJODMVQIF-UHFFFAOYSA-N 1 2 231.255 1.482 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)C[C@@H]2F)c(C)c[nH+]1 ZINC000517556459 388553793 /nfs/dbraw/zinc/55/37/93/388553793.db2.gz NWXBWZZZJOTDDV-CMPLNLGQSA-N 1 2 222.263 1.807 20 0 BDADLO CC[C@H]([NH2+]CCC(C)(F)F)C(=O)OC ZINC000357732365 388553831 /nfs/dbraw/zinc/55/38/31/388553831.db2.gz ORXVXKUTUUPEHI-ZETCQYMHSA-N 1 2 209.236 1.573 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OCC ZINC000359759619 388555461 /nfs/dbraw/zinc/55/54/61/388555461.db2.gz VMBZWYQTHMMCEO-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO COCc1noc(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000548754930 388557592 /nfs/dbraw/zinc/55/75/92/388557592.db2.gz YESLOKQIVDSDKZ-YUMQZZPRSA-N 1 2 211.265 1.199 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ncccc1Cl ZINC000528684044 388558862 /nfs/dbraw/zinc/55/88/62/388558862.db2.gz WCHMNWLSHRYBSC-JTQLQIEISA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ncccc1Cl ZINC000528684044 388558865 /nfs/dbraw/zinc/55/88/65/388558865.db2.gz WCHMNWLSHRYBSC-JTQLQIEISA-N 1 2 239.706 1.185 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CCc3c2cccc3O)nn1 ZINC000360920111 388559060 /nfs/dbraw/zinc/55/90/60/388559060.db2.gz UKDVPMNDXDZDFX-GFCCVEGCSA-N 1 2 244.298 1.298 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCCC1CC1 ZINC000548814680 388563862 /nfs/dbraw/zinc/56/38/62/388563862.db2.gz IWONUOXXLYZUMU-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000521137132 388563865 /nfs/dbraw/zinc/56/38/65/388563865.db2.gz HJDPLLBJWFDETF-JTQLQIEISA-N 1 2 239.319 1.429 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080923158 388564455 /nfs/dbraw/zinc/56/44/55/388564455.db2.gz XUPCSDZLVCTRKJ-UHFFFAOYSA-N 1 2 236.315 1.350 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080923158 388564457 /nfs/dbraw/zinc/56/44/57/388564457.db2.gz XUPCSDZLVCTRKJ-UHFFFAOYSA-N 1 2 236.315 1.350 20 0 BDADLO C[C@H]1CCN(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000548818531 388564675 /nfs/dbraw/zinc/56/46/75/388564675.db2.gz MUNBSXLIJMMREL-JTQLQIEISA-N 1 2 234.303 1.202 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCSC1 ZINC000521271928 388568050 /nfs/dbraw/zinc/56/80/50/388568050.db2.gz PBARTPSJXWARQP-JTQLQIEISA-N 1 2 223.345 1.680 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cnn(C)n1 ZINC000528772637 388571578 /nfs/dbraw/zinc/57/15/78/388571578.db2.gz MURCAEFKMZVWBK-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cnn(C)n1 ZINC000528772637 388571582 /nfs/dbraw/zinc/57/15/82/388571582.db2.gz MURCAEFKMZVWBK-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000184440145 388578143 /nfs/dbraw/zinc/57/81/43/388578143.db2.gz ZQKYELSFNACZJH-WDEREUQCSA-N 1 2 221.304 1.648 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000184440145 388578145 /nfs/dbraw/zinc/57/81/45/388578145.db2.gz ZQKYELSFNACZJH-WDEREUQCSA-N 1 2 221.304 1.648 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C)cn1 ZINC000552135139 388672846 /nfs/dbraw/zinc/67/28/46/388672846.db2.gz VZGWPEOJEOPTNQ-CQSZACIVSA-N 1 2 233.359 1.916 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C)cn1 ZINC000552135139 388672849 /nfs/dbraw/zinc/67/28/49/388672849.db2.gz VZGWPEOJEOPTNQ-CQSZACIVSA-N 1 2 233.359 1.916 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCc1cccnc1 ZINC000009532021 388678141 /nfs/dbraw/zinc/67/81/41/388678141.db2.gz QXGZJCPYWAXTSI-UHFFFAOYSA-N 1 2 240.270 1.370 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2nccn2C)on1 ZINC000538218050 388681628 /nfs/dbraw/zinc/68/16/28/388681628.db2.gz OXIYGMWXFKUTMI-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO CCc1cc(CN[C@H](C)c2[nH+]ccn2C)on1 ZINC000538218050 388681630 /nfs/dbraw/zinc/68/16/30/388681630.db2.gz OXIYGMWXFKUTMI-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)OC)C[C@@H]1OC ZINC000246389941 388634812 /nfs/dbraw/zinc/63/48/12/388634812.db2.gz AVKFSPJIJBNPQF-MXWKQRLJSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1nc(C(=O)Nc2cc(C)[nH+]cc2C)c(C)o1 ZINC000551721198 388637374 /nfs/dbraw/zinc/63/73/74/388637374.db2.gz PGXRBNDTNHYAFZ-UHFFFAOYSA-N 1 2 245.282 1.977 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC(C)(F)F ZINC000328528274 388644522 /nfs/dbraw/zinc/64/45/22/388644522.db2.gz VSOUCLOIGFQMEV-UHFFFAOYSA-N 1 2 217.219 1.413 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)NCc1[nH+]ccn1C ZINC000551897576 388644865 /nfs/dbraw/zinc/64/48/65/388644865.db2.gz UKLCVWFGUYMRJH-SECBINFHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000249919367 388734141 /nfs/dbraw/zinc/73/41/41/388734141.db2.gz YJMHZLKRHMTJHP-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000249919367 388734143 /nfs/dbraw/zinc/73/41/43/388734143.db2.gz YJMHZLKRHMTJHP-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)Nc2ncccc2O)C1 ZINC000552866605 388739536 /nfs/dbraw/zinc/73/95/36/388739536.db2.gz ITWHLAPFVNZFLF-VIFPVBQESA-N 1 2 235.287 1.068 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ncccc2O)C1 ZINC000552866605 388739537 /nfs/dbraw/zinc/73/95/37/388739537.db2.gz ITWHLAPFVNZFLF-VIFPVBQESA-N 1 2 235.287 1.068 20 0 BDADLO CN(CCC(C)(C)C)C(=O)Cc1c[nH+]cn1C ZINC000649028228 388740335 /nfs/dbraw/zinc/74/03/35/388740335.db2.gz SGFQIMVVYLOKCB-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO CSCC[C@H](C)[N@H+](C)Cc1noc(C)n1 ZINC000126337976 388693882 /nfs/dbraw/zinc/69/38/82/388693882.db2.gz UEZUSRJFDIXSCK-QMMMGPOBSA-N 1 2 229.349 1.951 20 0 BDADLO CSCC[C@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC000126337976 388693884 /nfs/dbraw/zinc/69/38/84/388693884.db2.gz UEZUSRJFDIXSCK-QMMMGPOBSA-N 1 2 229.349 1.951 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)cn1 ZINC000248830212 388694960 /nfs/dbraw/zinc/69/49/60/388694960.db2.gz HDXRSNAXSFOKSU-DGCLKSJQSA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](C)O[C@H](CC)C2)cn1 ZINC000248830212 388694963 /nfs/dbraw/zinc/69/49/63/388694963.db2.gz HDXRSNAXSFOKSU-DGCLKSJQSA-N 1 2 235.331 1.983 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248930155 388700292 /nfs/dbraw/zinc/70/02/92/388700292.db2.gz MGAUDWCHVNRBAU-DGCLKSJQSA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@](C)(CC)C1 ZINC000248930155 388700295 /nfs/dbraw/zinc/70/02/95/388700295.db2.gz MGAUDWCHVNRBAU-DGCLKSJQSA-N 1 2 243.347 1.829 20 0 BDADLO Cc1ncc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000195216522 388701718 /nfs/dbraw/zinc/70/17/18/388701718.db2.gz CMLICGPODDQKLH-UHFFFAOYSA-N 1 2 236.300 1.078 20 0 BDADLO CC[C@]1(C)C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000249004372 388703465 /nfs/dbraw/zinc/70/34/65/388703465.db2.gz ZGKHBLGQJCTLHZ-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@]1(C)C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000249004372 388703468 /nfs/dbraw/zinc/70/34/68/388703468.db2.gz ZGKHBLGQJCTLHZ-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CCOCCOCC(=O)Nc1cc[nH+]c(C)c1 ZINC000127365603 388721668 /nfs/dbraw/zinc/72/16/68/388721668.db2.gz NCQDIGFOYOYCJH-UHFFFAOYSA-N 1 2 238.287 1.382 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)o1 ZINC000249573813 388728909 /nfs/dbraw/zinc/72/89/09/388728909.db2.gz OZMACLXOKZITPQ-SCZZXKLOSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)o1 ZINC000249573813 388728912 /nfs/dbraw/zinc/72/89/12/388728912.db2.gz OZMACLXOKZITPQ-SCZZXKLOSA-N 1 2 237.303 1.069 20 0 BDADLO CCCC[C@@H](C(=O)OC)[NH+]1CCSCC1 ZINC000067226996 388731039 /nfs/dbraw/zinc/73/10/39/388731039.db2.gz ATFSEGFNRGZVOZ-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO COc1cccnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000127911421 388733336 /nfs/dbraw/zinc/73/33/36/388733336.db2.gz PIWCGYBSBZOZAA-SNVBAGLBSA-N 1 2 232.287 1.787 20 0 BDADLO COc1cccnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000127911179 388733514 /nfs/dbraw/zinc/73/35/14/388733514.db2.gz PIWCGYBSBZOZAA-JTQLQIEISA-N 1 2 232.287 1.787 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2CCOC2CCC2)no1 ZINC000553870560 388792066 /nfs/dbraw/zinc/79/20/66/388792066.db2.gz YIJZWMLBFMMYHI-NSHDSACASA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2CCOC2CCC2)no1 ZINC000553870560 388792070 /nfs/dbraw/zinc/79/20/70/388792070.db2.gz YIJZWMLBFMMYHI-NSHDSACASA-N 1 2 237.303 1.776 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000252925769 388792306 /nfs/dbraw/zinc/79/23/06/388792306.db2.gz NCKVJLWMPLNTCI-GHMZBOCLSA-N 1 2 221.304 1.525 20 0 BDADLO CC(C)c1nsc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000540036278 388793191 /nfs/dbraw/zinc/79/31/91/388793191.db2.gz OEPOEWSABPPHRB-UHFFFAOYSA-N 1 2 249.343 1.919 20 0 BDADLO CCCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523052657 388793726 /nfs/dbraw/zinc/79/37/26/388793726.db2.gz FHHAEDUVIQVEEM-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523052657 388793728 /nfs/dbraw/zinc/79/37/28/388793728.db2.gz FHHAEDUVIQVEEM-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO Cn1ccnc1[C@H]([NH2+]Cc1cc[nH]n1)C1CC1 ZINC000540492917 388807677 /nfs/dbraw/zinc/80/76/77/388807677.db2.gz PJOIFCLNHKNPLI-LLVKDONJSA-N 1 2 231.303 1.384 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]1C ZINC000553393689 388768228 /nfs/dbraw/zinc/76/82/28/388768228.db2.gz RXJGHSLCOXEJNO-APPZFPTMSA-N 1 2 207.277 1.175 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[C@H]1C ZINC000553393689 388768231 /nfs/dbraw/zinc/76/82/31/388768231.db2.gz RXJGHSLCOXEJNO-APPZFPTMSA-N 1 2 207.277 1.175 20 0 BDADLO CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522965553 388781717 /nfs/dbraw/zinc/78/17/17/388781717.db2.gz WVFHOZPJMBHQSX-UHFFFAOYSA-N 1 2 245.286 1.191 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000230155562 388817025 /nfs/dbraw/zinc/81/70/25/388817025.db2.gz PAEVHPKULVLVIX-ONGXEEELSA-N 1 2 209.293 1.375 20 0 BDADLO Cc1cc(-c2noc([C@H]([NH3+])CO)n2)ccc1F ZINC000037734532 177696036 /nfs/dbraw/zinc/69/60/36/177696036.db2.gz KOAVOZHNNYXXKO-SECBINFHSA-N 1 2 237.234 1.176 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1C ZINC000093050639 388824288 /nfs/dbraw/zinc/82/42/88/388824288.db2.gz IWCBMIRCRFDRCH-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1C ZINC000093050639 388824289 /nfs/dbraw/zinc/82/42/89/388824289.db2.gz IWCBMIRCRFDRCH-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO C[C@H]([NH2+]C/C=C/Cl)c1nncn1C ZINC000230936854 388831814 /nfs/dbraw/zinc/83/18/14/388831814.db2.gz YYLKSPJWIWLNQE-SDLBARTOSA-N 1 2 200.673 1.218 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC(CCO)CC2)no1 ZINC000554934651 388835860 /nfs/dbraw/zinc/83/58/60/388835860.db2.gz ZBRIIAUNSAJUNN-SECBINFHSA-N 1 2 239.319 1.533 20 0 BDADLO COC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000648757313 388836788 /nfs/dbraw/zinc/83/67/88/388836788.db2.gz KCBVMAHTKTUDRK-UHFFFAOYSA-N 1 2 249.314 1.226 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000129593120 388857233 /nfs/dbraw/zinc/85/72/33/388857233.db2.gz BEIYMUGHYJVFKN-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000129593120 388857236 /nfs/dbraw/zinc/85/72/36/388857236.db2.gz BEIYMUGHYJVFKN-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000555634883 388857195 /nfs/dbraw/zinc/85/71/95/388857195.db2.gz KZQBAXOWMYUZOG-UWVGGRQHSA-N 1 2 223.324 1.313 20 0 BDADLO CCCCn1nnnc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000555634883 388857197 /nfs/dbraw/zinc/85/71/97/388857197.db2.gz KZQBAXOWMYUZOG-UWVGGRQHSA-N 1 2 223.324 1.313 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000555926203 388863956 /nfs/dbraw/zinc/86/39/56/388863956.db2.gz CEYRECZBMGWLIB-RYUDHWBXSA-N 1 2 233.327 1.860 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000555926203 388863959 /nfs/dbraw/zinc/86/39/59/388863959.db2.gz CEYRECZBMGWLIB-RYUDHWBXSA-N 1 2 233.327 1.860 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000555926204 388864049 /nfs/dbraw/zinc/86/40/49/388864049.db2.gz CEYRECZBMGWLIB-VXGBXAGGSA-N 1 2 233.327 1.860 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000555926204 388864051 /nfs/dbraw/zinc/86/40/51/388864051.db2.gz CEYRECZBMGWLIB-VXGBXAGGSA-N 1 2 233.327 1.860 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCSC[C@@H]1C ZINC000556086883 388866137 /nfs/dbraw/zinc/86/61/37/388866137.db2.gz NWKARAFIHGZJBK-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCSC[C@@H]1C ZINC000556086883 388866140 /nfs/dbraw/zinc/86/61/40/388866140.db2.gz NWKARAFIHGZJBK-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO COC1(C)CN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000541773676 388867014 /nfs/dbraw/zinc/86/70/14/388867014.db2.gz IAGKNDQFGJPDIH-UHFFFAOYSA-N 1 2 249.314 1.373 20 0 BDADLO CCC(CC)N(CC)C(=O)Cc1c[nH+]cn1C ZINC000572552267 388850850 /nfs/dbraw/zinc/85/08/50/388850850.db2.gz PZEKBUYUTUSJIN-UHFFFAOYSA-N 1 2 237.347 2.000 20 0 BDADLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)n1C ZINC000523679709 388850923 /nfs/dbraw/zinc/85/09/23/388850923.db2.gz UWMPFGMRTDNUOX-UHFFFAOYSA-N 1 2 244.298 1.227 20 0 BDADLO C[C@@H]1SCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000649172347 388889324 /nfs/dbraw/zinc/88/93/24/388889324.db2.gz FDOJCBDCXYWAID-WCBMZHEXSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1SCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000649172347 388889326 /nfs/dbraw/zinc/88/93/26/388889326.db2.gz FDOJCBDCXYWAID-WCBMZHEXSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1SCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000649173633 388890482 /nfs/dbraw/zinc/89/04/82/388890482.db2.gz WGTBUJNYFBHMCF-RKDXNWHRSA-N 1 2 239.344 1.353 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](c3cccnc3)C2)no1 ZINC000564921597 388897674 /nfs/dbraw/zinc/89/76/74/388897674.db2.gz YDIRBAGXZHJZSV-LBPRGKRZSA-N 1 2 244.298 1.763 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](c3cccnc3)C2)no1 ZINC000564921597 388897677 /nfs/dbraw/zinc/89/76/77/388897677.db2.gz YDIRBAGXZHJZSV-LBPRGKRZSA-N 1 2 244.298 1.763 20 0 BDADLO C[C@H](CC(=O)NC1CC(C)C1)n1cc[nH+]c1 ZINC000565073034 388912196 /nfs/dbraw/zinc/91/21/96/388912196.db2.gz BZTFPNAXEHIOCO-HSOILSAZSA-N 1 2 221.304 1.749 20 0 BDADLO COCCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565179929 388922468 /nfs/dbraw/zinc/92/24/68/388922468.db2.gz YKYWKICLDZGBMX-JTQLQIEISA-N 1 2 239.319 1.083 20 0 BDADLO COCCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565179929 388922470 /nfs/dbraw/zinc/92/24/70/388922470.db2.gz YKYWKICLDZGBMX-JTQLQIEISA-N 1 2 239.319 1.083 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccncc1 ZINC000565629618 388959065 /nfs/dbraw/zinc/95/90/65/388959065.db2.gz LUJFIEUNEBJHIA-GFCCVEGCSA-N 1 2 244.298 1.546 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc[nH]c(=O)c1 ZINC000153375128 388967034 /nfs/dbraw/zinc/96/70/34/388967034.db2.gz NOPSKUOMCIUVGR-UHFFFAOYSA-N 1 2 245.238 1.031 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000566107728 388988186 /nfs/dbraw/zinc/98/81/86/388988186.db2.gz QMEIZTWZDRHXFH-NSHDSACASA-N 1 2 211.309 1.296 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C2CC2)on1 ZINC000266984547 388998466 /nfs/dbraw/zinc/99/84/66/388998466.db2.gz RNOCAQKANMTLSW-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccsc1 ZINC000267219069 388999596 /nfs/dbraw/zinc/99/95/96/388999596.db2.gz NWUBHOCJKJENNY-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CC=CC1 ZINC000267194023 388999772 /nfs/dbraw/zinc/99/97/72/388999772.db2.gz KNUDWKAVYGKSQT-UHFFFAOYSA-N 1 2 205.261 1.301 20 0 BDADLO CO[C@@H]1CN(c2cc(C)[nH+]cn2)CC[C@@H]1C ZINC000302570991 132264449 /nfs/dbraw/zinc/26/44/49/132264449.db2.gz QMGBWAWYNJXIBN-GXSJLCMTSA-N 1 2 221.304 1.646 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000270743607 389014200 /nfs/dbraw/zinc/01/42/00/389014200.db2.gz IQQUHYJWZKQSSF-LLVKDONJSA-N 1 2 244.298 1.298 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000271638553 389023611 /nfs/dbraw/zinc/02/36/11/389023611.db2.gz AMQDBHLNEXNXOR-QMMMGPOBSA-N 1 2 233.271 1.934 20 0 BDADLO Cc1cc(=O)[nH]cc1NC(=O)Cc1c[nH+]cn1C ZINC000530490544 322815814 /nfs/dbraw/zinc/81/58/14/322815814.db2.gz FLIGFHTVROZIAX-UHFFFAOYSA-N 1 2 246.270 1.010 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C(C)C)o2)C1 ZINC000510133096 533292399 /nfs/dbraw/zinc/29/23/99/533292399.db2.gz NATRFSBSLSJFNK-AOOOYVTPSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C(C)C)o2)C1 ZINC000510133096 533292405 /nfs/dbraw/zinc/29/24/05/533292405.db2.gz NATRFSBSLSJFNK-AOOOYVTPSA-N 1 2 239.319 1.802 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)C1CC1 ZINC000493712574 533355594 /nfs/dbraw/zinc/35/55/94/533355594.db2.gz VUVZRNDFKHPSDH-DMDPSCGWSA-N 1 2 241.331 1.079 20 0 BDADLO COC(=O)CCC[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488019584 533383314 /nfs/dbraw/zinc/38/33/14/533383314.db2.gz YUMDFOCAXKEOEO-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO COC(=O)CCC[N@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488019584 533383319 /nfs/dbraw/zinc/38/33/19/533383319.db2.gz YUMDFOCAXKEOEO-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO COC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494261791 533427588 /nfs/dbraw/zinc/42/75/88/533427588.db2.gz IRCNZBPXDHNMQY-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO COC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494261791 533427594 /nfs/dbraw/zinc/42/75/94/533427594.db2.gz IRCNZBPXDHNMQY-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO CSCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000174750248 533537005 /nfs/dbraw/zinc/53/70/05/533537005.db2.gz IFYJXDDXXUKMBX-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO Cc1nsc(NCCCCn2cc[nH+]c2)n1 ZINC000083648479 322828650 /nfs/dbraw/zinc/82/86/50/322828650.db2.gz RWEUPIRXZTVWCY-UHFFFAOYSA-N 1 2 237.332 1.935 20 0 BDADLO CSCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000047511762 322831437 /nfs/dbraw/zinc/83/14/37/322831437.db2.gz NVOXIHSELCDUGO-UHFFFAOYSA-N 1 2 239.344 1.127 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC000265818437 132182702 /nfs/dbraw/zinc/18/27/02/132182702.db2.gz HJUWQOYYISXOHW-ZJUUUORDSA-N 1 2 245.330 1.988 20 0 BDADLO COC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000266282170 132185821 /nfs/dbraw/zinc/18/58/21/132185821.db2.gz UKMARJLPHOHXQK-NSHDSACASA-N 1 2 249.314 1.206 20 0 BDADLO Cc1nc(N2CCO[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000268835775 132193712 /nfs/dbraw/zinc/19/37/12/132193712.db2.gz UFXLGBRNJZKAIT-BDAKNGLRSA-N 1 2 207.277 1.399 20 0 BDADLO CC(C)N1CCN(c2cccc[nH+]2)CC1=O ZINC000272554293 132200572 /nfs/dbraw/zinc/20/05/72/132200572.db2.gz ULEBNYDIPQMBFN-UHFFFAOYSA-N 1 2 219.288 1.139 20 0 BDADLO c1nc(N2CCOCC2)cc(NC2CCC2)[nH+]1 ZINC000277460607 132207438 /nfs/dbraw/zinc/20/74/38/132207438.db2.gz OBDVOVHSAQPOSK-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO c1nc(NC2CCC2)cc(N2CCOCC2)[nH+]1 ZINC000277460607 132207440 /nfs/dbraw/zinc/20/74/40/132207440.db2.gz OBDVOVHSAQPOSK-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)C1CC1 ZINC000277613882 132207492 /nfs/dbraw/zinc/20/74/92/132207492.db2.gz VZHFAFDDRDQXLA-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)C1CC1 ZINC000277613882 132207494 /nfs/dbraw/zinc/20/74/94/132207494.db2.gz VZHFAFDDRDQXLA-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO Cc1nc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc[nH+]1 ZINC000280356760 132210133 /nfs/dbraw/zinc/21/01/33/132210133.db2.gz XDJWVMULMUVPLL-MFKMUULPSA-N 1 2 249.314 1.169 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@@]2(CCOC2)O1 ZINC000280245098 132210210 /nfs/dbraw/zinc/21/02/10/132210210.db2.gz MRWPGTMQHPDCQG-WCQYABFASA-N 1 2 234.299 1.466 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@]3(CCOC3)C2)cc[nH+]1 ZINC000280356759 132210312 /nfs/dbraw/zinc/21/03/12/132210312.db2.gz XDJWVMULMUVPLL-GXFFZTMASA-N 1 2 249.314 1.169 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@]2(CCOC2)O1 ZINC000280245116 132210314 /nfs/dbraw/zinc/21/03/14/132210314.db2.gz MRWPGTMQHPDCQG-YPMHNXCESA-N 1 2 234.299 1.466 20 0 BDADLO Cc1nc(N2CCO[C@@]3(CCO[C@H]3C)C2)cc[nH+]1 ZINC000280588292 132210555 /nfs/dbraw/zinc/21/05/55/132210555.db2.gz WRCRTWMDKXJOSO-GWCFXTLKSA-N 1 2 249.314 1.169 20 0 BDADLO CCOC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000050069869 132228247 /nfs/dbraw/zinc/22/82/47/132228247.db2.gz YMXWHBHLCSBRGY-LLVKDONJSA-N 1 2 249.314 1.565 20 0 BDADLO Cc1nc(N2CCC[C@H](C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000301431752 132253579 /nfs/dbraw/zinc/25/35/79/132253579.db2.gz GZOWDTBMKLXWML-NSHDSACASA-N 1 2 248.330 1.104 20 0 BDADLO c1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)[nH+]c1 ZINC000301607561 132255350 /nfs/dbraw/zinc/25/53/50/132255350.db2.gz NTTJJMLCRMMBBT-NEPJUHHUSA-N 1 2 234.299 1.466 20 0 BDADLO C[C@H]1CN(c2nc(N)c3ccccc3[nH+]2)CCO1 ZINC000301811701 132257676 /nfs/dbraw/zinc/25/76/76/132257676.db2.gz ZOJAHUFZKUMPGC-VIFPVBQESA-N 1 2 244.298 1.437 20 0 BDADLO CO[C@H]1CN(c2cccc[nH+]2)CC[C@@H]1C ZINC000302556015 132264283 /nfs/dbraw/zinc/26/42/83/132264283.db2.gz LMWBXRSHIOUHFA-QWRGUYRKSA-N 1 2 206.289 1.943 20 0 BDADLO CO[C@@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000359740801 132277755 /nfs/dbraw/zinc/27/77/55/132277755.db2.gz DFMUOPTZDXKFBK-LBPRGKRZSA-N 1 2 221.304 1.790 20 0 BDADLO CCOCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360609301 132278789 /nfs/dbraw/zinc/27/87/89/132278789.db2.gz BJJQPAIVFPKMGW-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO CCOCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360609301 132278791 /nfs/dbraw/zinc/27/87/91/132278791.db2.gz BJJQPAIVFPKMGW-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO CCONC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368477924 132283573 /nfs/dbraw/zinc/28/35/73/132283573.db2.gz LOGKEIHEMPFXQA-NSHDSACASA-N 1 2 249.314 1.366 20 0 BDADLO c1nc(N2CCO[C@@H]3C[C@@H]32)cc(NCC2CC2)[nH+]1 ZINC000368645343 132284109 /nfs/dbraw/zinc/28/41/09/132284109.db2.gz RAFCBZHEVORKTD-WDEREUQCSA-N 1 2 246.314 1.276 20 0 BDADLO c1nc(NCC2CC2)cc(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000368645343 132284111 /nfs/dbraw/zinc/28/41/11/132284111.db2.gz RAFCBZHEVORKTD-WDEREUQCSA-N 1 2 246.314 1.276 20 0 BDADLO OC[C@H]1CN(c2cccc[nH+]2)CCC1(F)F ZINC000292372241 132307791 /nfs/dbraw/zinc/30/77/91/132307791.db2.gz POCAKWMFVZFBOL-SECBINFHSA-N 1 2 228.242 1.536 20 0 BDADLO O[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110111603 132438295 /nfs/dbraw/zinc/43/82/95/132438295.db2.gz PLKHTDKGYSKFBG-JTQLQIEISA-N 1 2 219.288 1.315 20 0 BDADLO COCCCCNc1[nH+]cnc2c1cnn2C ZINC000044349128 322841555 /nfs/dbraw/zinc/84/15/55/322841555.db2.gz LWNSRGAEUAMBBS-UHFFFAOYSA-N 1 2 235.291 1.202 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CCc2cccc(F)c2C1 ZINC000335938032 134013123 /nfs/dbraw/zinc/01/31/23/134013123.db2.gz GOVRXRGVARZLDP-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CCc2cccc(F)c2C1 ZINC000335938032 134013124 /nfs/dbraw/zinc/01/31/24/134013124.db2.gz GOVRXRGVARZLDP-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC000335938731 134013903 /nfs/dbraw/zinc/01/39/03/134013903.db2.gz PXTOBBJZPWKHIE-TXEJJXNPSA-N 1 2 247.298 1.207 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000335943557 134018702 /nfs/dbraw/zinc/01/87/02/134018702.db2.gz XJQAFCZNNNRQGG-SNVBAGLBSA-N 1 2 222.292 1.310 20 0 BDADLO Cn1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000335943557 134018703 /nfs/dbraw/zinc/01/87/03/134018703.db2.gz XJQAFCZNNNRQGG-SNVBAGLBSA-N 1 2 222.292 1.310 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000335947834 134020970 /nfs/dbraw/zinc/02/09/70/134020970.db2.gz OUJHWRGDUVZJBN-LBPRGKRZSA-N 1 2 234.278 1.663 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000335947834 134020971 /nfs/dbraw/zinc/02/09/71/134020971.db2.gz OUJHWRGDUVZJBN-LBPRGKRZSA-N 1 2 234.278 1.663 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1C=CCCC1 ZINC000335952919 134022093 /nfs/dbraw/zinc/02/20/93/134022093.db2.gz NFZFLYOARKOBJK-NSHDSACASA-N 1 2 248.330 1.670 20 0 BDADLO Cc1cnc(C[N@@H+](C)C2CC(O)C2)s1 ZINC000336002743 134047700 /nfs/dbraw/zinc/04/77/00/134047700.db2.gz VXXPHLUSCQGOCJ-UHFFFAOYSA-N 1 2 212.318 1.407 20 0 BDADLO Cc1cnc(C[N@H+](C)C2CC(O)C2)s1 ZINC000336002743 134047701 /nfs/dbraw/zinc/04/77/01/134047701.db2.gz VXXPHLUSCQGOCJ-UHFFFAOYSA-N 1 2 212.318 1.407 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336024937 134056870 /nfs/dbraw/zinc/05/68/70/134056870.db2.gz NKNNLJDRCVNGTJ-UWVGGRQHSA-N 1 2 219.288 1.271 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336066423 134070743 /nfs/dbraw/zinc/07/07/43/134070743.db2.gz DWQGOPXYHPMMKU-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336066423 134070744 /nfs/dbraw/zinc/07/07/44/134070744.db2.gz DWQGOPXYHPMMKU-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000352115570 134072132 /nfs/dbraw/zinc/07/21/32/134072132.db2.gz MFTZBQNDFLLKKG-YUMQZZPRSA-N 1 2 213.281 1.406 20 0 BDADLO CC(=O)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000336103467 134084243 /nfs/dbraw/zinc/08/42/43/134084243.db2.gz IAAAJXPAMYGPLV-NSCUHMNNSA-N 1 2 245.326 1.259 20 0 BDADLO Cc1c(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cnn1C ZINC000336147166 134102791 /nfs/dbraw/zinc/10/27/91/134102791.db2.gz OWWDYCGBHIBBBJ-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1c(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cnn1C ZINC000336147166 134102792 /nfs/dbraw/zinc/10/27/92/134102792.db2.gz OWWDYCGBHIBBBJ-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)o1)C[C@H](C)O ZINC000352220303 134108776 /nfs/dbraw/zinc/10/87/76/134108776.db2.gz HESWBIROJSXASO-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)o1)C[C@H](C)O ZINC000352220303 134108777 /nfs/dbraw/zinc/10/87/77/134108777.db2.gz HESWBIROJSXASO-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000336166232 134113581 /nfs/dbraw/zinc/11/35/81/134113581.db2.gz XSHUQAULKYYTCK-YVNMAJEFSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000336178644 134117445 /nfs/dbraw/zinc/11/74/45/134117445.db2.gz YDZSRTJXENFMIQ-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000336178644 134117446 /nfs/dbraw/zinc/11/74/46/134117446.db2.gz YDZSRTJXENFMIQ-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)n1 ZINC000336180253 134119463 /nfs/dbraw/zinc/11/94/63/134119463.db2.gz UPKDBKKUVINYKX-LBPRGKRZSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@H]2CCN(C)C2=O)n1 ZINC000336180253 134119464 /nfs/dbraw/zinc/11/94/64/134119464.db2.gz UPKDBKKUVINYKX-LBPRGKRZSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000336207045 134132182 /nfs/dbraw/zinc/13/21/82/134132182.db2.gz ILIMIFMUVBQAJW-JTQLQIEISA-N 1 2 248.298 1.653 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@@](O)(C(F)F)C2)n1 ZINC000336207045 134132183 /nfs/dbraw/zinc/13/21/83/134132183.db2.gz ILIMIFMUVBQAJW-JTQLQIEISA-N 1 2 248.298 1.653 20 0 BDADLO OCC1(C[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000168568204 134226891 /nfs/dbraw/zinc/22/68/91/134226891.db2.gz IFIYRPWCVFBBOD-UHFFFAOYSA-N 1 2 209.293 1.052 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1F ZINC000168602521 134231108 /nfs/dbraw/zinc/23/11/08/134231108.db2.gz IGCMBWXHOYZTJU-PWSUYJOCSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccccc1F ZINC000168602521 134231109 /nfs/dbraw/zinc/23/11/09/134231109.db2.gz IGCMBWXHOYZTJU-PWSUYJOCSA-N 1 2 239.290 1.407 20 0 BDADLO COC(=O)[C@@H](C)NCc1c[nH+]cn1C(C)C ZINC000085188226 134248125 /nfs/dbraw/zinc/24/81/25/134248125.db2.gz UMDCCPDFNMRPOJ-SECBINFHSA-N 1 2 225.292 1.115 20 0 BDADLO CCOC[C@@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC000176324639 134291145 /nfs/dbraw/zinc/29/11/45/134291145.db2.gz KBHJRNRPCSPXGP-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCOC[C@@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC000176324639 134291146 /nfs/dbraw/zinc/29/11/46/134291146.db2.gz KBHJRNRPCSPXGP-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO C[C@@H]1CCN(C(=O)NC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000177561818 134300133 /nfs/dbraw/zinc/30/01/33/134300133.db2.gz LWHAUSUUMBIKMQ-ZYHUDNBSSA-N 1 2 248.330 1.638 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000178379497 134309364 /nfs/dbraw/zinc/30/93/64/134309364.db2.gz RIYNLQNHKQDQSQ-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO Cn1c[nH+]cc1[C@H]1Nc2ccccc2C(=O)N1C ZINC000179182807 134317959 /nfs/dbraw/zinc/31/79/59/134317959.db2.gz LTPXDFMZCXLGNU-LBPRGKRZSA-N 1 2 242.282 1.616 20 0 BDADLO Cc1ccn2c(C[N@@H+]3CCO[C@@H](C)C3)cnc2c1 ZINC000179863057 134324519 /nfs/dbraw/zinc/32/45/19/134324519.db2.gz RTGOSVOLTGCJDL-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@H+]3CCO[C@@H](C)C3)cnc2c1 ZINC000179863057 134324520 /nfs/dbraw/zinc/32/45/20/134324520.db2.gz RTGOSVOLTGCJDL-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(CN3CCO[C@@H](C)C3)c[nH+]c2c1 ZINC000179863057 134324521 /nfs/dbraw/zinc/32/45/21/134324521.db2.gz RTGOSVOLTGCJDL-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@@H+]3CCO[C@H](C)C3)cnc2c1 ZINC000179863041 134324575 /nfs/dbraw/zinc/32/45/75/134324575.db2.gz RTGOSVOLTGCJDL-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@H+]3CCO[C@H](C)C3)cnc2c1 ZINC000179863041 134324576 /nfs/dbraw/zinc/32/45/76/134324576.db2.gz RTGOSVOLTGCJDL-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(CN3CCO[C@H](C)C3)c[nH+]c2c1 ZINC000179863041 134324577 /nfs/dbraw/zinc/32/45/77/134324577.db2.gz RTGOSVOLTGCJDL-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000179900017 134325024 /nfs/dbraw/zinc/32/50/24/134325024.db2.gz YVNKEVXPSLZRSQ-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccnc1C ZINC000179900017 134325025 /nfs/dbraw/zinc/32/50/25/134325025.db2.gz YVNKEVXPSLZRSQ-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000180763431 134331237 /nfs/dbraw/zinc/33/12/37/134331237.db2.gz IRDUMFTZGYDBDZ-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccnc1C ZINC000180763431 134331238 /nfs/dbraw/zinc/33/12/38/134331238.db2.gz IRDUMFTZGYDBDZ-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CC1(C)COC1 ZINC000180995649 134332682 /nfs/dbraw/zinc/33/26/82/134332682.db2.gz NAUDBDHYOIKILK-NSHDSACASA-N 1 2 243.347 1.590 20 0 BDADLO Oc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000223774292 134339517 /nfs/dbraw/zinc/33/95/17/134339517.db2.gz OHIRXKVVBCRASM-BETUJISGSA-N 1 2 237.274 1.895 20 0 BDADLO Oc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000223774292 134339518 /nfs/dbraw/zinc/33/95/18/134339518.db2.gz OHIRXKVVBCRASM-BETUJISGSA-N 1 2 237.274 1.895 20 0 BDADLO Oc1cc(F)cc(CN2CCn3cc[nH+]c3C2)c1 ZINC000223769048 134339795 /nfs/dbraw/zinc/33/97/95/134339795.db2.gz PEBPANJHSNFELI-UHFFFAOYSA-N 1 2 247.273 1.744 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000182550307 134346155 /nfs/dbraw/zinc/34/61/55/134346155.db2.gz PUSHBRBPLFHOGO-AOOOYVTPSA-N 1 2 237.303 1.448 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000182550307 134346156 /nfs/dbraw/zinc/34/61/56/134346156.db2.gz PUSHBRBPLFHOGO-AOOOYVTPSA-N 1 2 237.303 1.448 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000183664536 134355534 /nfs/dbraw/zinc/35/55/34/134355534.db2.gz CBQHUTPQIXMTFR-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CC1(C)C ZINC000226389222 134365406 /nfs/dbraw/zinc/36/54/06/134365406.db2.gz VBAFBMWTBSMIOW-QMMMGPOBSA-N 1 2 231.303 1.821 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1(OC)CCC1)C1CC1 ZINC000227771679 134393701 /nfs/dbraw/zinc/39/37/01/134393701.db2.gz SZVGXYFCJQMWHE-SNVBAGLBSA-N 1 2 227.304 1.097 20 0 BDADLO CC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000151536245 134468938 /nfs/dbraw/zinc/46/89/38/134468938.db2.gz KKUJCMOJTCQTTF-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO C[C@H](CC(F)(F)F)[NH2+]Cc1csnn1 ZINC000231901540 134547136 /nfs/dbraw/zinc/54/71/36/134547136.db2.gz SYPLBBKKLPVGLU-RXMQYKEDSA-N 1 2 225.239 1.969 20 0 BDADLO O[C@@H](COCc1ccco1)Cn1cc[nH+]c1 ZINC000057371554 134784468 /nfs/dbraw/zinc/78/44/68/134784468.db2.gz UEYFWQZXYPJNIR-SNVBAGLBSA-N 1 2 222.244 1.054 20 0 BDADLO O[C@H](C[N@@H+]1CCOC[C@@H]1C1CC1)C(F)(F)F ZINC000248389874 135001936 /nfs/dbraw/zinc/00/19/36/135001936.db2.gz HHJSVPRLKBIQTE-RKDXNWHRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@H](C[N@H+]1CCOC[C@@H]1C1CC1)C(F)(F)F ZINC000248389874 135001938 /nfs/dbraw/zinc/00/19/38/135001938.db2.gz HHJSVPRLKBIQTE-RKDXNWHRSA-N 1 2 239.237 1.020 20 0 BDADLO Cn1cc[nH+]c1CNc1ncncc1Cl ZINC000163612947 135019491 /nfs/dbraw/zinc/01/94/91/135019491.db2.gz JDOVTLVVWCPZFT-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C(=O)OC)[C@@H](C)O)C1 ZINC000249106969 135032929 /nfs/dbraw/zinc/03/29/29/135032929.db2.gz QMGALRKAEOEBKR-WISYIIOYSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@H]1O ZINC000249142324 135034187 /nfs/dbraw/zinc/03/41/87/135034187.db2.gz RGWLTMXSOKWYIL-NXEZZACHSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@H]1O ZINC000249142324 135034189 /nfs/dbraw/zinc/03/41/89/135034189.db2.gz RGWLTMXSOKWYIL-NXEZZACHSA-N 1 2 229.320 1.031 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cn[nH]c2C)CC[C@H]1C ZINC000249188262 135035955 /nfs/dbraw/zinc/03/59/55/135035955.db2.gz OPQVPKFVCNNYAN-SKDRFNHKSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cn[nH]c2C)CC[C@H]1C ZINC000249188262 135035957 /nfs/dbraw/zinc/03/59/57/135035957.db2.gz OPQVPKFVCNNYAN-SKDRFNHKSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)c2C)no1 ZINC000086552028 135089672 /nfs/dbraw/zinc/08/96/72/135089672.db2.gz MJBNDMOPOMTZKY-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO C[C@H]1C[NH+](Cc2cnc(N)s2)C[C@H](C)O1 ZINC000086765606 135096464 /nfs/dbraw/zinc/09/64/64/135096464.db2.gz ZEEDAKRHJFWZMU-YUMQZZPRSA-N 1 2 227.333 1.335 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000086935379 135102904 /nfs/dbraw/zinc/10/29/04/135102904.db2.gz YPVLTKIBZWWETE-XCBNKYQSSA-N 1 2 211.334 1.702 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086935377 135102952 /nfs/dbraw/zinc/10/29/52/135102952.db2.gz YPVLTKIBZWWETE-XVKPBYJWSA-N 1 2 211.334 1.702 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCO[C@H](C)C1 ZINC000253600840 135127815 /nfs/dbraw/zinc/12/78/15/135127815.db2.gz ARMBBYSUIRUTAC-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CCO[C@H](C)C1 ZINC000253600840 135127817 /nfs/dbraw/zinc/12/78/17/135127817.db2.gz ARMBBYSUIRUTAC-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1C/C=C\c1ccccc1 ZINC000255643478 135130010 /nfs/dbraw/zinc/13/00/10/135130010.db2.gz ZPBZPGHLEHNOKB-TWGQIWQCSA-N 1 2 244.338 1.910 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1C/C=C\c1ccccc1 ZINC000255643478 135130011 /nfs/dbraw/zinc/13/00/11/135130011.db2.gz ZPBZPGHLEHNOKB-TWGQIWQCSA-N 1 2 244.338 1.910 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC000259839875 135144857 /nfs/dbraw/zinc/14/48/57/135144857.db2.gz YMTAGBZZYUODQY-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](O)C1CCCCC1 ZINC000259839875 135144858 /nfs/dbraw/zinc/14/48/58/135144858.db2.gz YMTAGBZZYUODQY-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO CC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000078734882 135145951 /nfs/dbraw/zinc/14/59/51/135145951.db2.gz AJAJKEVAEXCVLQ-LLVKDONJSA-N 1 2 242.269 1.704 20 0 BDADLO CCc1nc(C[N@@H+](CC)CC(C)(C)O)no1 ZINC000078747643 135150236 /nfs/dbraw/zinc/15/02/36/135150236.db2.gz CKZUSGUECQNFAT-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCc1nc(C[N@H+](CC)CC(C)(C)O)no1 ZINC000078747643 135150238 /nfs/dbraw/zinc/15/02/38/135150238.db2.gz CKZUSGUECQNFAT-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000078778022 135151442 /nfs/dbraw/zinc/15/14/42/135151442.db2.gz CXGYHZHUYUBVMV-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000078778022 135151444 /nfs/dbraw/zinc/15/14/44/135151444.db2.gz CXGYHZHUYUBVMV-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CCCN(Cc1noc(C[NH3+])n1)CC1CC1 ZINC000261534699 135168021 /nfs/dbraw/zinc/16/80/21/135168021.db2.gz SVIVICNUFHIDPK-UHFFFAOYSA-N 1 2 224.308 1.150 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnc(N)s1 ZINC000261536529 135172195 /nfs/dbraw/zinc/17/21/95/135172195.db2.gz SAFRMYFHBYGICW-SFYZADRCSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnc(N)s1 ZINC000261536529 135172197 /nfs/dbraw/zinc/17/21/97/135172197.db2.gz SAFRMYFHBYGICW-SFYZADRCSA-N 1 2 227.333 1.335 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261539557 135177772 /nfs/dbraw/zinc/17/77/72/135177772.db2.gz CTJUJAWYMBDDRF-JGVFFNPUSA-N 1 2 220.263 1.144 20 0 BDADLO CCOCc1csc([C@@H]2COCC[NH2+]2)n1 ZINC000261544803 135185757 /nfs/dbraw/zinc/18/57/57/135185757.db2.gz JCRCVUOFZBCAJI-VIFPVBQESA-N 1 2 228.317 1.341 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccsc2)n1 ZINC000261546645 135239446 /nfs/dbraw/zinc/23/94/46/135239446.db2.gz LDEJHTNZYDHGMS-UHFFFAOYSA-N 1 2 223.301 1.636 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC(C)(C)C ZINC000342387185 135269958 /nfs/dbraw/zinc/26/99/58/135269958.db2.gz XXXUEKKCDJBBMP-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC(C)(C)C ZINC000342387185 135269960 /nfs/dbraw/zinc/26/99/60/135269960.db2.gz XXXUEKKCDJBBMP-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC=CC[C@@H]1C ZINC000342386181 135270391 /nfs/dbraw/zinc/27/03/91/135270391.db2.gz LXSDVUMPSOLYRL-XQQFMLRXSA-N 1 2 247.342 1.990 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000262352531 135294282 /nfs/dbraw/zinc/29/42/82/135294282.db2.gz GHRBUKROMYAKBV-WDEREUQCSA-N 1 2 249.314 1.289 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000262352531 135294284 /nfs/dbraw/zinc/29/42/84/135294284.db2.gz GHRBUKROMYAKBV-WDEREUQCSA-N 1 2 249.314 1.289 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCO[C@H](C)C2)n1C ZINC000342789828 135318701 /nfs/dbraw/zinc/31/87/01/135318701.db2.gz YGPSAFJILPNDHV-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@H+]2CCCO[C@H](C)C2)n1C ZINC000342789828 135318702 /nfs/dbraw/zinc/31/87/02/135318702.db2.gz YGPSAFJILPNDHV-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN2CCCO[C@H](C)C2)n1C ZINC000342789828 135318704 /nfs/dbraw/zinc/31/87/04/135318704.db2.gz YGPSAFJILPNDHV-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CCOCC[N@H+](C)Cc1ncc(C)n1C ZINC000342801039 135321696 /nfs/dbraw/zinc/32/16/96/135321696.db2.gz VWGQAEVBDPSZNR-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncc(C)n1C ZINC000342801039 135321697 /nfs/dbraw/zinc/32/16/97/135321697.db2.gz VWGQAEVBDPSZNR-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CCOCCN(C)Cc1[nH+]cc(C)n1C ZINC000342801039 135321695 /nfs/dbraw/zinc/32/16/95/135321695.db2.gz VWGQAEVBDPSZNR-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2ccccn2)n1C ZINC000342800750 135322160 /nfs/dbraw/zinc/32/21/60/135322160.db2.gz UVXHUMUJWGTMCM-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334165900 135323374 /nfs/dbraw/zinc/32/33/74/135323374.db2.gz AGDLIKLDTOAMBG-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]cc(C)n2C)C[C@H](C)O1 ZINC000342774396 135327022 /nfs/dbraw/zinc/32/70/22/135327022.db2.gz DFDIFKDIUZNZAR-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H]3CCCC[C@@H]32)n1C ZINC000342774483 135327224 /nfs/dbraw/zinc/32/72/24/135327224.db2.gz DHSUZLCJLVCYQZ-STQMWFEESA-N 1 2 249.358 1.872 20 0 BDADLO CCCN(CC(=O)OC)Cc1[nH+]cc(C)n1C ZINC000342774064 135327312 /nfs/dbraw/zinc/32/73/12/135327312.db2.gz HPESEEYIROKOGF-UHFFFAOYSA-N 1 2 239.319 1.114 20 0 BDADLO CC(C)(C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263052582 135329814 /nfs/dbraw/zinc/32/98/14/135329814.db2.gz UQWHQCOGLAQQQP-QMMMGPOBSA-N 1 2 234.290 1.536 20 0 BDADLO O=C(Nc1cccc(F)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263069040 135330492 /nfs/dbraw/zinc/33/04/92/135330492.db2.gz WFTPAAXLMKDOLA-SECBINFHSA-N 1 2 244.216 1.761 20 0 BDADLO O=C(NCc1cccs1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263077903 135331362 /nfs/dbraw/zinc/33/13/62/135331362.db2.gz XFRVHAZXFGBMGF-QMMMGPOBSA-N 1 2 246.282 1.362 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263081298 135331505 /nfs/dbraw/zinc/33/15/05/135331505.db2.gz XNVAJMBRIHZFTR-VIFPVBQESA-N 1 2 232.274 1.433 20 0 BDADLO CCc1nc(N2CCO[C@H](OC)C2)cc(C)[nH+]1 ZINC000342943532 135338024 /nfs/dbraw/zinc/33/80/24/135338024.db2.gz GIRQIKZXKZWKSG-LBPRGKRZSA-N 1 2 237.303 1.157 20 0 BDADLO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263247497 135342339 /nfs/dbraw/zinc/34/23/39/135342339.db2.gz PLXAAJYYRGSZMH-WCBMZHEXSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263279455 135344482 /nfs/dbraw/zinc/34/44/82/135344482.db2.gz UACOXXNABDCPFH-HLTSFMKQSA-N 1 2 232.274 1.098 20 0 BDADLO O=C(NC1CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334305111 135348317 /nfs/dbraw/zinc/34/83/17/135348317.db2.gz GLIYSOVACIJGJR-QMMMGPOBSA-N 1 2 205.261 1.108 20 0 BDADLO O=C(NC1CC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334305111 135348319 /nfs/dbraw/zinc/34/83/19/135348319.db2.gz GLIYSOVACIJGJR-QMMMGPOBSA-N 1 2 205.261 1.108 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000334359557 135371729 /nfs/dbraw/zinc/37/17/29/135371729.db2.gz WJWOKRWBAOCGLE-GXSJLCMTSA-N 1 2 246.310 1.756 20 0 BDADLO Cc1nc(C[NH+]2CC3(C2)CCOC3)cs1 ZINC000334376270 135376048 /nfs/dbraw/zinc/37/60/48/135376048.db2.gz VOOQIEXKOACLOH-UHFFFAOYSA-N 1 2 224.329 1.674 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1O ZINC000080587379 135381894 /nfs/dbraw/zinc/38/18/94/135381894.db2.gz WTAVIVWIAIAFAK-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO O=C(NC1CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096641896 135626854 /nfs/dbraw/zinc/62/68/54/135626854.db2.gz SIDHGWHQHWRENN-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1cc(N2CC(C(F)(F)F)C2)nc[nH+]1 ZINC000335231990 135967905 /nfs/dbraw/zinc/96/79/05/135967905.db2.gz FSBQSOQREUOMOA-UHFFFAOYSA-N 1 2 217.194 1.784 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000335249232 135983056 /nfs/dbraw/zinc/98/30/56/135983056.db2.gz IYVVXKPPOHXAIP-CBAPKCEASA-N 1 2 225.317 1.154 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccco1 ZINC000348014933 136021695 /nfs/dbraw/zinc/02/16/95/136021695.db2.gz SJSRFTBPLJRUSP-SECBINFHSA-N 1 2 232.287 1.668 20 0 BDADLO CCOC(=O)CC[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000347992458 136023398 /nfs/dbraw/zinc/02/33/98/136023398.db2.gz AWYXYMQTANXGLP-MWLCHTKSSA-N 1 2 245.319 1.117 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]CCn2cccn2)o1 ZINC000347994868 136023416 /nfs/dbraw/zinc/02/34/16/136023416.db2.gz DDXYBPMDBPVMMD-VIFPVBQESA-N 1 2 235.291 1.179 20 0 BDADLO FC1(F)CC[N@H+](CC2=CCCOC2)C1 ZINC000335317054 136025226 /nfs/dbraw/zinc/02/52/26/136025226.db2.gz PEOSRFOXWQGWLX-UHFFFAOYSA-N 1 2 203.232 1.674 20 0 BDADLO FC1(F)CC[N@@H+](CC2=CCCOC2)C1 ZINC000335317054 136025227 /nfs/dbraw/zinc/02/52/27/136025227.db2.gz PEOSRFOXWQGWLX-UHFFFAOYSA-N 1 2 203.232 1.674 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](F)C[C@@H]2CO)cn1 ZINC000348223156 136047463 /nfs/dbraw/zinc/04/74/63/136047463.db2.gz IRGGVVSMPRJBIH-WCQYABFASA-N 1 2 238.306 1.549 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](F)C[C@@H]2CO)cn1 ZINC000348223156 136047464 /nfs/dbraw/zinc/04/74/64/136047464.db2.gz IRGGVVSMPRJBIH-WCQYABFASA-N 1 2 238.306 1.549 20 0 BDADLO CCC1(C(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000335322175 136049949 /nfs/dbraw/zinc/04/99/49/136049949.db2.gz RYRKSXVNDRPDSX-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000335324890 136051207 /nfs/dbraw/zinc/05/12/07/136051207.db2.gz CQBGEVQDERGAMJ-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000335324890 136051208 /nfs/dbraw/zinc/05/12/08/136051208.db2.gz CQBGEVQDERGAMJ-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000335326686 136052141 /nfs/dbraw/zinc/05/21/41/136052141.db2.gz NGMGAOVRBGIEME-GFCCVEGCSA-N 1 2 228.311 1.479 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000335326686 136052142 /nfs/dbraw/zinc/05/21/42/136052142.db2.gz NGMGAOVRBGIEME-GFCCVEGCSA-N 1 2 228.311 1.479 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335331800 136054180 /nfs/dbraw/zinc/05/41/80/136054180.db2.gz BWTSLNSHGZUPSL-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(CC1CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335333956 136055144 /nfs/dbraw/zinc/05/51/44/136055144.db2.gz QZORWVLJKTVTOQ-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000348243796 136056172 /nfs/dbraw/zinc/05/61/72/136056172.db2.gz VHSMMHPTQLSHAL-PJXYFTJBSA-N 1 2 246.310 1.753 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1=CCCC1 ZINC000348244963 136056310 /nfs/dbraw/zinc/05/63/10/136056310.db2.gz ZHLHZILTDJTIKM-UHFFFAOYSA-N 1 2 232.283 1.817 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000348286253 136059815 /nfs/dbraw/zinc/05/98/15/136059815.db2.gz YBDOUEGFONIWNR-CYBMUJFWSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000348286253 136059816 /nfs/dbraw/zinc/05/98/16/136059816.db2.gz YBDOUEGFONIWNR-CYBMUJFWSA-N 1 2 238.306 1.550 20 0 BDADLO COC(=O)C[N@H+](C[C@H]1CC[C@H](C)O1)C1CC1 ZINC000348236758 136061169 /nfs/dbraw/zinc/06/11/69/136061169.db2.gz XRVLSVDTVVNEFJ-GXSJLCMTSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)C[N@@H+](C[C@H]1CC[C@H](C)O1)C1CC1 ZINC000348236758 136061170 /nfs/dbraw/zinc/06/11/70/136061170.db2.gz XRVLSVDTVVNEFJ-GXSJLCMTSA-N 1 2 227.304 1.191 20 0 BDADLO CCCN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335342157 136064810 /nfs/dbraw/zinc/06/48/10/136064810.db2.gz JQISIKNLSLTLNI-JTQLQIEISA-N 1 2 236.319 1.249 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]2(C)CC=CCC2)c[nH+]1 ZINC000335359601 136075280 /nfs/dbraw/zinc/07/52/80/136075280.db2.gz TYRRAAFEYATMEG-LBPRGKRZSA-N 1 2 219.288 1.947 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)CCc1c[nH+]cn1C ZINC000335368008 136081927 /nfs/dbraw/zinc/08/19/27/136081927.db2.gz QZNDICAKMGTGTK-QWRGUYRKSA-N 1 2 235.331 1.752 20 0 BDADLO C[C@H]1CC2(CCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000335386332 136088850 /nfs/dbraw/zinc/08/88/50/136088850.db2.gz NZRLFJFCYREVRL-NSHDSACASA-N 1 2 233.315 1.674 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@H](O)C1 ZINC000335394900 136092206 /nfs/dbraw/zinc/09/22/06/136092206.db2.gz JKJRYSKAZBKQKD-JTQLQIEISA-N 1 2 249.289 1.674 20 0 BDADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000335547907 136096902 /nfs/dbraw/zinc/09/69/02/136096902.db2.gz KVGKUSSLUSOAQT-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCC(=O)C1 ZINC000335547545 136096970 /nfs/dbraw/zinc/09/69/70/136096970.db2.gz OFJXTQWKTGEUQF-SECBINFHSA-N 1 2 247.298 1.527 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000335547067 136097122 /nfs/dbraw/zinc/09/71/22/136097122.db2.gz COQMFVUUUROPEM-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C2CC2)no1 ZINC000335555723 136099398 /nfs/dbraw/zinc/09/93/98/136099398.db2.gz GWNPQDJJMOBWDN-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C2CC2)no1 ZINC000335555723 136099399 /nfs/dbraw/zinc/09/93/99/136099399.db2.gz GWNPQDJJMOBWDN-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO CC[C@H]1CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335556258 136099491 /nfs/dbraw/zinc/09/94/91/136099491.db2.gz CLPJHHRPPNEWGQ-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC=CCC1 ZINC000335580599 136112446 /nfs/dbraw/zinc/11/24/46/136112446.db2.gz VCSWCDRPBHFGQP-ZDUSSCGKSA-N 1 2 233.315 1.876 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]1(C)CC=CCC1 ZINC000335580599 136112447 /nfs/dbraw/zinc/11/24/47/136112447.db2.gz VCSWCDRPBHFGQP-ZDUSSCGKSA-N 1 2 233.315 1.876 20 0 BDADLO CN(C)C(=O)CSc1[nH+]cnc2[nH]ccc21 ZINC000335580469 136112736 /nfs/dbraw/zinc/11/27/36/136112736.db2.gz BMEWJLNXRBZAFX-UHFFFAOYSA-N 1 2 236.300 1.138 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C)CC1 ZINC000348636732 136114365 /nfs/dbraw/zinc/11/43/65/136114365.db2.gz SGXBNVZRILUGDA-SECBINFHSA-N 1 2 207.277 1.188 20 0 BDADLO CS[C@@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178813968 397848105 /nfs/dbraw/zinc/84/81/05/397848105.db2.gz DRACLDVBZHZXBJ-VIFPVBQESA-N 1 2 249.339 1.816 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccncc1 ZINC000186342896 397877394 /nfs/dbraw/zinc/87/73/94/397877394.db2.gz IRJPFPBEALFGII-ZDUSSCGKSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccncc1 ZINC000186342896 397877397 /nfs/dbraw/zinc/87/73/97/397877397.db2.gz IRJPFPBEALFGII-ZDUSSCGKSA-N 1 2 234.299 1.609 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000335513302 397878824 /nfs/dbraw/zinc/87/88/24/397878824.db2.gz YHTYTFGJWOCCCR-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000335513302 397878825 /nfs/dbraw/zinc/87/88/25/397878825.db2.gz YHTYTFGJWOCCCR-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000336723299 397930657 /nfs/dbraw/zinc/93/06/57/397930657.db2.gz AQCKOKOBFMZNMY-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO CC(C)(C)c1nc(NC[C@@H](O)C2CCC2)cc[nH+]1 ZINC000649547414 397938718 /nfs/dbraw/zinc/93/87/18/397938718.db2.gz OXXICPXVIKRPFB-LLVKDONJSA-N 1 2 249.358 1.769 20 0 BDADLO O=C1CCCCN1CCCNc1cccc[nH+]1 ZINC000358917273 397942900 /nfs/dbraw/zinc/94/29/00/397942900.db2.gz FCTMMLYTTRFQRA-UHFFFAOYSA-N 1 2 233.315 1.896 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1ccncc1 ZINC000268775881 397954781 /nfs/dbraw/zinc/95/47/81/397954781.db2.gz CRUNTMGWTUENIQ-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO CCOc1ncccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359683744 397955985 /nfs/dbraw/zinc/95/59/85/397955985.db2.gz QHQOLSGQBXVTJV-UHFFFAOYSA-N 1 2 246.270 1.133 20 0 BDADLO CCOc1ncccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359683744 397955991 /nfs/dbraw/zinc/95/59/91/397955991.db2.gz QHQOLSGQBXVTJV-UHFFFAOYSA-N 1 2 246.270 1.133 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)co1 ZINC000590605725 397906040 /nfs/dbraw/zinc/90/60/40/397906040.db2.gz MNEUZAACOVICJF-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@](C)=O)co1 ZINC000590605725 397906042 /nfs/dbraw/zinc/90/60/42/397906042.db2.gz MNEUZAACOVICJF-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCOC2)c(C)s1 ZINC000336554886 397908280 /nfs/dbraw/zinc/90/82/80/397908280.db2.gz TTZSZENSWUYVOO-JTQLQIEISA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCOC2)c(C)s1 ZINC000336554886 397908283 /nfs/dbraw/zinc/90/82/83/397908283.db2.gz TTZSZENSWUYVOO-JTQLQIEISA-N 1 2 226.345 1.981 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000590662197 397909412 /nfs/dbraw/zinc/90/94/12/397909412.db2.gz OBSSCKZYXKIAQG-USZNOCQGSA-N 1 2 243.347 1.872 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@@H]2CCCO2)[nH+]1 ZINC000355777911 397920947 /nfs/dbraw/zinc/92/09/47/397920947.db2.gz DQBIIEVOMSKYQA-JTQLQIEISA-N 1 2 246.314 1.882 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1cccs1 ZINC000279293435 398044267 /nfs/dbraw/zinc/04/42/67/398044267.db2.gz YVQRFQJWTJUYME-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO Cc1[nH]c(C(=O)NCCC[C@H]2CCOC2)c[nH+]1 ZINC000456745934 397994270 /nfs/dbraw/zinc/99/42/70/397994270.db2.gz NHWCSXVDQHOQSE-JTQLQIEISA-N 1 2 237.303 1.265 20 0 BDADLO COCc1cc[nH+]c(NCc2cn[nH]c2)c1 ZINC000650243964 398006330 /nfs/dbraw/zinc/00/63/30/398006330.db2.gz XDSVZTKXKIDEEK-UHFFFAOYSA-N 1 2 218.260 1.563 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccno1 ZINC000274816753 398015814 /nfs/dbraw/zinc/01/58/14/398015814.db2.gz AOTPQEGNHBRHBM-GXSJLCMTSA-N 1 2 238.287 1.448 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccno1 ZINC000274816753 398015817 /nfs/dbraw/zinc/01/58/17/398015817.db2.gz AOTPQEGNHBRHBM-GXSJLCMTSA-N 1 2 238.287 1.448 20 0 BDADLO CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373177921 398016927 /nfs/dbraw/zinc/01/69/27/398016927.db2.gz RIGSUMPRJQRMGR-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO Cc1nc(C)c(C[N@H+](C2CC2)C2COC2)o1 ZINC000649698484 398047319 /nfs/dbraw/zinc/04/73/19/398047319.db2.gz KAEJSWAOFMEGLD-UHFFFAOYSA-N 1 2 222.288 1.655 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C2CC2)C2COC2)o1 ZINC000649698484 398047324 /nfs/dbraw/zinc/04/73/24/398047324.db2.gz KAEJSWAOFMEGLD-UHFFFAOYSA-N 1 2 222.288 1.655 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC000365082676 398021634 /nfs/dbraw/zinc/02/16/34/398021634.db2.gz NTSLJADINBBVSR-LSJOCFKGSA-N 1 2 233.315 1.279 20 0 BDADLO CC(C)c1nc(NC[C@@H]2[C@H]3COC[C@H]32)cc[nH+]1 ZINC000376189225 398025498 /nfs/dbraw/zinc/02/54/98/398025498.db2.gz UNKUNZFDMXWQBW-RTCCRHLQSA-N 1 2 233.315 1.326 20 0 BDADLO FCC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000451387492 397973853 /nfs/dbraw/zinc/97/38/53/397973853.db2.gz ZNXWQCYXESRKJN-UHFFFAOYSA-N 1 2 239.298 1.190 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC000650190971 397974058 /nfs/dbraw/zinc/97/40/58/397974058.db2.gz NUQXYPYUBWMXED-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000650190971 397974064 /nfs/dbraw/zinc/97/40/64/397974064.db2.gz NUQXYPYUBWMXED-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000649588766 397979961 /nfs/dbraw/zinc/97/99/61/397979961.db2.gz AANXCDIEQPFJCO-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000649588766 397979965 /nfs/dbraw/zinc/97/99/65/397979965.db2.gz AANXCDIEQPFJCO-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCCOCC1 ZINC000369621011 397984768 /nfs/dbraw/zinc/98/47/68/397984768.db2.gz HXELSFWCBKGYJL-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCCOCC1 ZINC000369621011 397984771 /nfs/dbraw/zinc/98/47/71/397984771.db2.gz HXELSFWCBKGYJL-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649730607 398069439 /nfs/dbraw/zinc/06/94/39/398069439.db2.gz UXIRBWUWTFUBLP-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649730607 398069441 /nfs/dbraw/zinc/06/94/41/398069441.db2.gz UXIRBWUWTFUBLP-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000283246103 398070225 /nfs/dbraw/zinc/07/02/25/398070225.db2.gz CHPVSUSKLYWYSD-AOOOYVTPSA-N 1 2 233.315 1.375 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000649732502 398072095 /nfs/dbraw/zinc/07/20/95/398072095.db2.gz YZDCXXFIFVILTE-JQWIXIFHSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000649732502 398072099 /nfs/dbraw/zinc/07/20/99/398072099.db2.gz YZDCXXFIFVILTE-JQWIXIFHSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000649732381 398072658 /nfs/dbraw/zinc/07/26/58/398072658.db2.gz WLAATXOEBCCLLI-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000649732381 398072662 /nfs/dbraw/zinc/07/26/62/398072662.db2.gz WLAATXOEBCCLLI-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnnn2CC)[C@@H](C)CO1 ZINC000649737259 398075472 /nfs/dbraw/zinc/07/54/72/398075472.db2.gz VBXAMVXVAWWROL-JQWIXIFHSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnnn2CC)[C@@H](C)CO1 ZINC000649737259 398075473 /nfs/dbraw/zinc/07/54/73/398075473.db2.gz VBXAMVXVAWWROL-JQWIXIFHSA-N 1 2 238.335 1.297 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C)[C@H]1CCCOC1 ZINC000649758198 398088496 /nfs/dbraw/zinc/08/84/96/398088496.db2.gz IYLKXCKCOJQPEL-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C)[C@H]1CCCOC1 ZINC000649758198 398088498 /nfs/dbraw/zinc/08/84/98/398088498.db2.gz IYLKXCKCOJQPEL-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000649702975 398051391 /nfs/dbraw/zinc/05/13/91/398051391.db2.gz RSKLWGQUXXFPDC-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000649702975 398051394 /nfs/dbraw/zinc/05/13/94/398051394.db2.gz RSKLWGQUXXFPDC-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO C[C@H](CO)C1CC[NH+](CC(F)F)CC1 ZINC000649799304 398108748 /nfs/dbraw/zinc/10/87/48/398108748.db2.gz UMBZFSXSLJUEED-MRVPVSSYSA-N 1 2 207.264 1.592 20 0 BDADLO O=c1[nH]nc(C[NH+]2CCC3(CC3(F)F)CC2)[nH]1 ZINC000649774000 398097423 /nfs/dbraw/zinc/09/74/23/398097423.db2.gz NYOZCMPLCCNVHK-UHFFFAOYSA-N 1 2 244.245 1.132 20 0 BDADLO COCc1nc(C[NH2+]C2(C3CCC3)CC2)no1 ZINC000649810775 398117872 /nfs/dbraw/zinc/11/78/72/398117872.db2.gz YUJDBMLATCERIN-UHFFFAOYSA-N 1 2 237.303 1.638 20 0 BDADLO Cn1ccc(CNC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000263857226 398126219 /nfs/dbraw/zinc/12/62/19/398126219.db2.gz SSXOYLIJCUTNKO-LBPRGKRZSA-N 1 2 248.330 1.406 20 0 BDADLO CN(c1nc[nH+]c(N)c1Cl)[C@@H]1CCC[C@H]1O ZINC000286347525 398133216 /nfs/dbraw/zinc/13/32/16/398133216.db2.gz MJBPJDYZDOERKJ-RNFRBKRXSA-N 1 2 242.710 1.062 20 0 BDADLO CN(c1[nH+]cnc(N)c1Cl)[C@@H]1CCC[C@H]1O ZINC000286347525 398133219 /nfs/dbraw/zinc/13/32/19/398133219.db2.gz MJBPJDYZDOERKJ-RNFRBKRXSA-N 1 2 242.710 1.062 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC(=O)NCC2(C)C)o1 ZINC000685581198 487558206 /nfs/dbraw/zinc/55/82/06/487558206.db2.gz JRFLKKOXLOILDH-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC(=O)NCC2(C)C)o1 ZINC000685581198 487558210 /nfs/dbraw/zinc/55/82/10/487558210.db2.gz JRFLKKOXLOILDH-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@H]1C1CC1 ZINC000674361575 487565408 /nfs/dbraw/zinc/56/54/08/487565408.db2.gz PRSLUDFRBBYLMG-NXEZZACHSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@H]1C1CC1 ZINC000674361575 487565410 /nfs/dbraw/zinc/56/54/10/487565410.db2.gz PRSLUDFRBBYLMG-NXEZZACHSA-N 1 2 205.261 1.072 20 0 BDADLO c1snnc1C[NH+]1CC(C2CCOCC2)C1 ZINC000669715286 487567066 /nfs/dbraw/zinc/56/70/66/487567066.db2.gz AUOMNLJSDVASCJ-UHFFFAOYSA-N 1 2 239.344 1.397 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOc2ccccc2C1 ZINC000674369891 487567128 /nfs/dbraw/zinc/56/71/28/487567128.db2.gz FGNIZXNBBXNIGN-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO Cn1cncc1C[N@H+]1CCOc2ccccc2C1 ZINC000674369891 487567134 /nfs/dbraw/zinc/56/71/34/487567134.db2.gz FGNIZXNBBXNIGN-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO Cn1c[nH+]cc1CN1CCOc2ccccc2C1 ZINC000674369891 487567140 /nfs/dbraw/zinc/56/71/40/487567140.db2.gz FGNIZXNBBXNIGN-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000674467764 487583889 /nfs/dbraw/zinc/58/38/89/487583889.db2.gz VQEYSAJKHFEYPS-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000674467764 487583896 /nfs/dbraw/zinc/58/38/96/487583896.db2.gz VQEYSAJKHFEYPS-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000680418857 487590302 /nfs/dbraw/zinc/59/03/02/487590302.db2.gz LVFQGPIAEIXQEN-SFYZADRCSA-N 1 2 235.291 1.523 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000680418858 487590546 /nfs/dbraw/zinc/59/05/46/487590546.db2.gz LVFQGPIAEIXQEN-YUMQZZPRSA-N 1 2 235.291 1.523 20 0 BDADLO CC1(C)CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000530291569 487594840 /nfs/dbraw/zinc/59/48/40/487594840.db2.gz AELGPEXFYWCZOK-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC1(C)CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000530291569 487594843 /nfs/dbraw/zinc/59/48/43/487594843.db2.gz AELGPEXFYWCZOK-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682953585 487596371 /nfs/dbraw/zinc/59/63/71/487596371.db2.gz LZVXEJFKTAGVCJ-LLVKDONJSA-N 1 2 233.315 1.528 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCOCCO)C2 ZINC000058011803 487601088 /nfs/dbraw/zinc/60/10/88/487601088.db2.gz DZBJZMRSXFKJCM-UHFFFAOYSA-N 1 2 249.310 1.214 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](CCOCCO)C2 ZINC000058011803 487601091 /nfs/dbraw/zinc/60/10/91/487601091.db2.gz DZBJZMRSXFKJCM-UHFFFAOYSA-N 1 2 249.310 1.214 20 0 BDADLO C[C@H](CO)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000671511767 487601345 /nfs/dbraw/zinc/60/13/45/487601345.db2.gz LCGWACOIMHZZEF-SECBINFHSA-N 1 2 248.286 1.179 20 0 BDADLO Cc1noc(C[N@H+](C)CCC2(O)CCC2)n1 ZINC000653888146 487608899 /nfs/dbraw/zinc/60/88/99/487608899.db2.gz GERXDRVOWGWOEJ-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1noc(C[N@@H+](C)CCC2(O)CCC2)n1 ZINC000653888146 487608903 /nfs/dbraw/zinc/60/89/03/487608903.db2.gz GERXDRVOWGWOEJ-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO CC(C)SCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336670682 167327135 /nfs/dbraw/zinc/32/71/35/167327135.db2.gz YOCLZOWFKMYECA-UHFFFAOYSA-N 1 2 242.388 1.435 20 0 BDADLO CC(C)SCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336670682 167327139 /nfs/dbraw/zinc/32/71/39/167327139.db2.gz YOCLZOWFKMYECA-UHFFFAOYSA-N 1 2 242.388 1.435 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000662369078 409675608 /nfs/dbraw/zinc/67/56/08/409675608.db2.gz LUACQFAOVKJFJT-JTQLQIEISA-N 1 2 231.246 1.266 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000662369078 409675619 /nfs/dbraw/zinc/67/56/19/409675619.db2.gz LUACQFAOVKJFJT-JTQLQIEISA-N 1 2 231.246 1.266 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCc2ccccc21 ZINC000660841268 409833008 /nfs/dbraw/zinc/83/30/08/409833008.db2.gz CMKUXYGGZPOCRQ-LLVKDONJSA-N 1 2 245.282 1.895 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCc2ccccc21 ZINC000660841268 409833015 /nfs/dbraw/zinc/83/30/15/409833015.db2.gz CMKUXYGGZPOCRQ-LLVKDONJSA-N 1 2 245.282 1.895 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N1CC[C@H](C)C1)CC2 ZINC000669673249 487611122 /nfs/dbraw/zinc/61/11/22/487611122.db2.gz NGQVAOQAHCWVHG-JTQLQIEISA-N 1 2 248.330 1.469 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000662987962 410013820 /nfs/dbraw/zinc/01/38/20/410013820.db2.gz ZFNGPQYLJPGOAR-HRDYMLBCSA-N 1 2 240.376 2.000 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000662987962 410013830 /nfs/dbraw/zinc/01/38/30/410013830.db2.gz ZFNGPQYLJPGOAR-HRDYMLBCSA-N 1 2 240.376 2.000 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)COCC1CC1 ZINC000651982255 410122782 /nfs/dbraw/zinc/12/27/82/410122782.db2.gz RNIZMHIUVHYNRB-VIFPVBQESA-N 1 2 223.320 1.623 20 0 BDADLO C[C@@H](COCC1CC1)[NH2+]Cc1ccn[nH]1 ZINC000651982249 410123250 /nfs/dbraw/zinc/12/32/50/410123250.db2.gz RKJOUMQQZBYTFD-VIFPVBQESA-N 1 2 209.293 1.314 20 0 BDADLO CC(C)COCC[N@H+](C)Cc1cnc[nH]1 ZINC000661090224 410160180 /nfs/dbraw/zinc/16/01/80/410160180.db2.gz NYQYGPSVSPGAQQ-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO CC(C)COCC[N@@H+](C)Cc1cnc[nH]1 ZINC000661090224 410160186 /nfs/dbraw/zinc/16/01/86/410160186.db2.gz NYQYGPSVSPGAQQ-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO CC(C)COCC[N@H+](C)Cc1c[nH]cn1 ZINC000661090224 410160191 /nfs/dbraw/zinc/16/01/91/410160191.db2.gz NYQYGPSVSPGAQQ-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO CC(C)COCC[N@@H+](C)Cc1c[nH]cn1 ZINC000661090224 410160197 /nfs/dbraw/zinc/16/01/97/410160197.db2.gz NYQYGPSVSPGAQQ-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000667532682 487614041 /nfs/dbraw/zinc/61/40/41/487614041.db2.gz VNGVQWKKWPWCGK-ZDUSSCGKSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnn1CC1CC1 ZINC000667532682 487614043 /nfs/dbraw/zinc/61/40/43/487614043.db2.gz VNGVQWKKWPWCGK-ZDUSSCGKSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H](C1CC1)N(C)c1[nH+]cnc2c1cnn2C ZINC000057547706 410184836 /nfs/dbraw/zinc/18/48/36/410184836.db2.gz OZCAXVGQOIJOOK-QMMMGPOBSA-N 1 2 231.303 1.598 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CC1(F)F)c1[nH]cc[nH+]1 ZINC000655401987 410205250 /nfs/dbraw/zinc/20/52/50/410205250.db2.gz QIROMQMRBKRZOM-HZGVNTEJSA-N 1 2 229.230 1.632 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CCOC1 ZINC000112966932 410246910 /nfs/dbraw/zinc/24/69/10/410246910.db2.gz FNJFQWIUJHIVJO-JTQLQIEISA-N 1 2 219.288 1.579 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1cncc(C)n1)CC2 ZINC000680829942 487614731 /nfs/dbraw/zinc/61/47/31/487614731.db2.gz GRNQSPGWYJFXHP-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000650676688 410301926 /nfs/dbraw/zinc/30/19/26/410301926.db2.gz RDNMIVARTWTWHY-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO O=C([O-])c1cc(N2CC[NH+]3CCC2CC3)cc[nH+]1 ZINC000650768858 410419232 /nfs/dbraw/zinc/41/92/32/410419232.db2.gz IXQJMJQHUCVINJ-UHFFFAOYSA-N 1 2 247.298 1.064 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000663947073 410395283 /nfs/dbraw/zinc/39/52/83/410395283.db2.gz NWHGFZQMFPNCEH-SFYZADRCSA-N 1 2 221.308 1.091 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)[C@@H]2C)[nH+]1 ZINC000663947073 410395287 /nfs/dbraw/zinc/39/52/87/410395287.db2.gz NWHGFZQMFPNCEH-SFYZADRCSA-N 1 2 221.308 1.091 20 0 BDADLO CO[C@H](CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000664155596 410468944 /nfs/dbraw/zinc/46/89/44/410468944.db2.gz ADIIREOBMLJBDN-GHMZBOCLSA-N 1 2 222.288 1.545 20 0 BDADLO O=C([C@H]1C[C@@H](O)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000635456007 410440032 /nfs/dbraw/zinc/44/00/32/410440032.db2.gz KZTZQZRIIVDLQL-AXFHLTTASA-N 1 2 249.314 1.234 20 0 BDADLO Cc1nc(N2CCO[C@@](C)(C3CC3)C2)cc[nH+]1 ZINC000664178201 410509416 /nfs/dbraw/zinc/50/94/16/410509416.db2.gz PIHFDSOFQPCCOZ-CYBMUJFWSA-N 1 2 233.315 1.790 20 0 BDADLO Cc1nc(N2CCO[C@](C)(C3CC3)C2)cc[nH+]1 ZINC000664178202 410509796 /nfs/dbraw/zinc/50/97/96/410509796.db2.gz PIHFDSOFQPCCOZ-ZDUSSCGKSA-N 1 2 233.315 1.790 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000650826044 410529188 /nfs/dbraw/zinc/52/91/88/410529188.db2.gz ZYBJEOWSPXUITA-PGLGOXFNSA-N 1 2 233.315 1.528 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H](O)C23CCC3)cc[nH+]1 ZINC000664467459 410587858 /nfs/dbraw/zinc/58/78/58/410587858.db2.gz RWFRDMAQZXGRNU-NXEZZACHSA-N 1 2 219.288 1.500 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661414698 410624620 /nfs/dbraw/zinc/62/46/20/410624620.db2.gz UWOCYYWSXVLVSW-DTWKUNHWSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661414698 410624625 /nfs/dbraw/zinc/62/46/25/410624625.db2.gz UWOCYYWSXVLVSW-DTWKUNHWSA-N 1 2 237.290 1.095 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC2CCC2)o1 ZINC000661528889 410729186 /nfs/dbraw/zinc/72/91/86/410729186.db2.gz AVLRQKCYMBPMHC-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC2CCC2)o1 ZINC000661528889 410729192 /nfs/dbraw/zinc/72/91/92/410729192.db2.gz AVLRQKCYMBPMHC-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOCC(F)F)o1 ZINC000661529099 410729844 /nfs/dbraw/zinc/72/98/44/410729844.db2.gz LNDCSTFHXZVPDB-UHFFFAOYSA-N 1 2 235.234 1.092 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOCC(F)F)o1 ZINC000661529099 410729848 /nfs/dbraw/zinc/72/98/48/410729848.db2.gz LNDCSTFHXZVPDB-UHFFFAOYSA-N 1 2 235.234 1.092 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H](O)C(C)(C)C)o1 ZINC000661529199 410729964 /nfs/dbraw/zinc/72/99/64/410729964.db2.gz RKHDJRCKTNLYNP-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H](O)C(C)(C)C)o1 ZINC000661529199 410729969 /nfs/dbraw/zinc/72/99/69/410729969.db2.gz RKHDJRCKTNLYNP-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000651065583 410780432 /nfs/dbraw/zinc/78/04/32/410780432.db2.gz HNFJLOCHXKHPFH-UHFFFAOYSA-N 1 2 247.342 1.773 20 0 BDADLO CCCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651084456 410790374 /nfs/dbraw/zinc/79/03/74/410790374.db2.gz HVZDENFGDOPHKD-LLVKDONJSA-N 1 2 239.319 1.065 20 0 BDADLO CC(C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264049720 166849176 /nfs/dbraw/zinc/84/91/76/166849176.db2.gz MAHSAXDLCJZYBR-UHFFFAOYSA-N 1 2 224.308 1.265 20 0 BDADLO CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651200984 410861704 /nfs/dbraw/zinc/86/17/04/410861704.db2.gz WOEJUMUQUGVHMF-UHFFFAOYSA-N 1 2 235.331 1.630 20 0 BDADLO O=C(c1cscn1)N1CCc2[nH]c[nH+]c2C1 ZINC000396857222 410903688 /nfs/dbraw/zinc/90/36/88/410903688.db2.gz SWWRCYOHAYWNPU-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO O=C(c1cscn1)N1CCc2[nH+]c[nH]c2C1 ZINC000396857222 410903693 /nfs/dbraw/zinc/90/36/93/410903693.db2.gz SWWRCYOHAYWNPU-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO CC(C)C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000284009084 167012581 /nfs/dbraw/zinc/01/25/81/167012581.db2.gz ICJCVOWYOVJLEK-NSHDSACASA-N 1 2 231.303 1.535 20 0 BDADLO CC(C)C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094274 167016936 /nfs/dbraw/zinc/01/69/36/167016936.db2.gz PTNJXOWXJKOILB-UHFFFAOYSA-N 1 2 217.276 1.730 20 0 BDADLO CC(C)OCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362064019 167238140 /nfs/dbraw/zinc/23/81/40/167238140.db2.gz IUQGBMRHNLFNKQ-QWRGUYRKSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)Oc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000067692305 167295029 /nfs/dbraw/zinc/29/50/29/167295029.db2.gz MTJSCNCITWEZBQ-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353907484 167350709 /nfs/dbraw/zinc/35/07/09/167350709.db2.gz YCZVLKLPSGJIAB-VXGBXAGGSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353907484 167350712 /nfs/dbraw/zinc/35/07/12/167350712.db2.gz YCZVLKLPSGJIAB-VXGBXAGGSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000330550980 167356483 /nfs/dbraw/zinc/35/64/83/167356483.db2.gz MSZDTTBBPRBIFU-VIFPVBQESA-N 1 2 222.288 1.830 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000339175014 167360751 /nfs/dbraw/zinc/36/07/51/167360751.db2.gz NOCWCJLWDFNEGD-NSHDSACASA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)[C@@H](C)N(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278471773 167370360 /nfs/dbraw/zinc/37/03/60/167370360.db2.gz UNWYFZKGVGPEDD-MRVPVSSYSA-N 1 2 248.334 1.426 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC000651323098 410920405 /nfs/dbraw/zinc/92/04/05/410920405.db2.gz POWOESIDYMFBHV-MNOVXSKESA-N 1 2 235.331 1.997 20 0 BDADLO CN(C[C@H]1CCCO1)c1cc(CO)cc[nH+]1 ZINC000042465312 411005224 /nfs/dbraw/zinc/00/52/24/411005224.db2.gz JMQKRLYEEHAJJA-LLVKDONJSA-N 1 2 222.288 1.189 20 0 BDADLO C[C@H](CCO)N(C)c1cc[nH+]c2ccncc21 ZINC000651470917 411050980 /nfs/dbraw/zinc/05/09/80/411050980.db2.gz CMLHUWFNCLBHMS-SNVBAGLBSA-N 1 2 231.299 1.837 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000651499447 411074014 /nfs/dbraw/zinc/07/40/14/411074014.db2.gz ZFFHWTDNUGOKAI-YWVKMMECSA-N 1 2 223.320 1.936 20 0 BDADLO Cc1cc(N2CCC([C@@H](C)CO)CC2)nc[nH+]1 ZINC000651431399 411022548 /nfs/dbraw/zinc/02/25/48/411022548.db2.gz ZBJRGEHPMBVGJD-JTQLQIEISA-N 1 2 235.331 1.630 20 0 BDADLO Cc1cccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000212311204 411145846 /nfs/dbraw/zinc/14/58/46/411145846.db2.gz YFRRUGQTEWVSAR-LLVKDONJSA-N 1 2 229.283 1.307 20 0 BDADLO Cc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000045915766 411150009 /nfs/dbraw/zinc/15/00/09/411150009.db2.gz SHMASRRPDXPATK-RKDXNWHRSA-N 1 2 209.293 1.856 20 0 BDADLO C[C@@H](CC(=O)NC(C)(C)C(F)F)n1cc[nH+]c1 ZINC000651947872 411160110 /nfs/dbraw/zinc/16/01/10/411160110.db2.gz VMVUEKJZASTCHF-QMMMGPOBSA-N 1 2 245.273 1.994 20 0 BDADLO COCc1cc[nH+]c(NCc2n[nH]cc2C)c1 ZINC000652068281 411105520 /nfs/dbraw/zinc/10/55/20/411105520.db2.gz XTKTZCCBMNVSHR-UHFFFAOYSA-N 1 2 232.287 1.872 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC[C@@H](C)O)n1C ZINC000304307151 167705020 /nfs/dbraw/zinc/70/50/20/167705020.db2.gz KMOMSSYHDAMGTE-SNVBAGLBSA-N 1 2 240.351 1.141 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC[C@@H](C)O)n1C ZINC000304307151 167705024 /nfs/dbraw/zinc/70/50/24/167705024.db2.gz KMOMSSYHDAMGTE-SNVBAGLBSA-N 1 2 240.351 1.141 20 0 BDADLO C[C@@H]1[N@H+](Cc2cn(C)cn2)CCOC1(C)C ZINC000660006240 411168084 /nfs/dbraw/zinc/16/80/84/411168084.db2.gz KBOPTRBTKQQWNQ-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1[N@@H+](Cc2cn(C)cn2)CCOC1(C)C ZINC000660006240 411168086 /nfs/dbraw/zinc/16/80/86/411168086.db2.gz KBOPTRBTKQQWNQ-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO CC(C)[N@H+](CCO)CC(=O)c1ccccc1F ZINC000048014867 411174051 /nfs/dbraw/zinc/17/40/51/411174051.db2.gz TYGXVDNEMCNKNV-UHFFFAOYSA-N 1 2 239.290 1.711 20 0 BDADLO CC(C)[N@@H+](CCO)CC(=O)c1ccccc1F ZINC000048014867 411174053 /nfs/dbraw/zinc/17/40/53/411174053.db2.gz TYGXVDNEMCNKNV-UHFFFAOYSA-N 1 2 239.290 1.711 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)Cc1cnn(C)c1 ZINC000656105600 411179441 /nfs/dbraw/zinc/17/94/41/411179441.db2.gz IWRLNMULCWPGNH-UHFFFAOYSA-N 1 2 247.302 1.164 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H]1CCCO1 ZINC000656106976 411179903 /nfs/dbraw/zinc/17/99/03/411179903.db2.gz GIOBFHQCPWANLI-SNVBAGLBSA-N 1 2 237.303 1.775 20 0 BDADLO Cc1[nH+]cccc1N[C@@H](C)Cn1cncn1 ZINC000657952535 411180195 /nfs/dbraw/zinc/18/01/95/411180195.db2.gz LXIWUEKIIDZCBG-VIFPVBQESA-N 1 2 217.276 1.482 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](CCF)C2)no1 ZINC000661696931 411182880 /nfs/dbraw/zinc/18/28/80/411182880.db2.gz NOBJOGZGJGMFDU-SNVBAGLBSA-N 1 2 227.283 1.950 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](CCF)C2)no1 ZINC000661696931 411182882 /nfs/dbraw/zinc/18/28/82/411182882.db2.gz NOBJOGZGJGMFDU-SNVBAGLBSA-N 1 2 227.283 1.950 20 0 BDADLO COc1c(C)ncnc1N(C)Cc1[nH]cc[nH+]1 ZINC000656126604 411183388 /nfs/dbraw/zinc/18/33/88/411183388.db2.gz NNIUGJQNPLGUBP-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](C)C[C@@H](C)O ZINC000656128386 411184101 /nfs/dbraw/zinc/18/41/01/411184101.db2.gz QUSXQOBRNGAKHL-DTWKUNHWSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000652796187 411184139 /nfs/dbraw/zinc/18/41/39/411184139.db2.gz BJNUAMOVHFBHDM-RYUDHWBXSA-N 1 2 245.326 1.980 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](OC)C1 ZINC000656137189 411185278 /nfs/dbraw/zinc/18/52/78/411185278.db2.gz BHRNGQSYXFYSIS-VIFPVBQESA-N 1 2 223.276 1.019 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@H](O)C1CC1 ZINC000656140286 411185373 /nfs/dbraw/zinc/18/53/73/411185373.db2.gz SYQJOKSZMMHMPD-JTQLQIEISA-N 1 2 237.303 1.001 20 0 BDADLO CC[C@@H]1CN(c2nc[nH+]c(C)c2OC)C[C@H]1O ZINC000656150247 411187200 /nfs/dbraw/zinc/18/72/00/411187200.db2.gz QQBZSGSJOJMRFA-NXEZZACHSA-N 1 2 237.303 1.001 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](O)[C@H](C)C1 ZINC000656164109 411189809 /nfs/dbraw/zinc/18/98/09/411189809.db2.gz CQSRGRVJPBEKMH-KOLCDFICSA-N 1 2 221.304 1.301 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@@H](O)C(C)(C)C1 ZINC000656182681 411195870 /nfs/dbraw/zinc/19/58/70/411195870.db2.gz VRXRKBAVVQBVFY-SECBINFHSA-N 1 2 237.303 1.001 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1C1CCCCC1 ZINC000656438324 411248272 /nfs/dbraw/zinc/24/82/72/411248272.db2.gz UYXGYUNTUXHZQS-LBPRGKRZSA-N 1 2 236.319 1.444 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](C)CCCO ZINC000656193281 411200425 /nfs/dbraw/zinc/20/04/25/411200425.db2.gz DGNGASQGKLIWMZ-VIFPVBQESA-N 1 2 239.319 1.614 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](O)C1CCC1 ZINC000656198186 411202875 /nfs/dbraw/zinc/20/28/75/411202875.db2.gz KRCSRXNWNGPHDX-SNVBAGLBSA-N 1 2 237.303 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000656203396 411207858 /nfs/dbraw/zinc/20/78/58/411207858.db2.gz ICKBIZCVPFUNBS-MNOVXSKESA-N 1 2 249.314 1.409 20 0 BDADLO Cc1nc(N2CC3(CC3(F)F)C2)cc[nH+]1 ZINC000656204814 411208445 /nfs/dbraw/zinc/20/84/45/411208445.db2.gz UIWGXVAJCCCTTE-UHFFFAOYSA-N 1 2 211.215 1.630 20 0 BDADLO Cc1cc(N2CC3(CC3(F)F)C2)nc[nH+]1 ZINC000656204242 411208460 /nfs/dbraw/zinc/20/84/60/411208460.db2.gz IKVQNRBDPWLZDN-UHFFFAOYSA-N 1 2 211.215 1.630 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[C@H]3C)cn2c1 ZINC000048747828 411213582 /nfs/dbraw/zinc/21/35/82/411213582.db2.gz SSONDXIDLQAXRT-PWSUYJOCSA-N 1 2 243.310 1.915 20 0 BDADLO COCC1(C)C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000656263684 411218136 /nfs/dbraw/zinc/21/81/36/411218136.db2.gz MJQPDAPTKFDZQY-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO Cc1cnn(C)c1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265726 411221861 /nfs/dbraw/zinc/22/18/61/411221861.db2.gz YYXBLAWGZRFGOQ-UHFFFAOYSA-N 1 2 227.258 1.570 20 0 BDADLO CC(=O)Nc1cnn(Cc2c[nH+]ccc2C)c1 ZINC000655680247 411222930 /nfs/dbraw/zinc/22/29/30/411222930.db2.gz IVTXTNADCSGTNE-UHFFFAOYSA-N 1 2 230.271 1.593 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000049237815 411229726 /nfs/dbraw/zinc/22/97/26/411229726.db2.gz NFDKBTLRLDVXSI-VIFPVBQESA-N 1 2 246.270 1.477 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000652411119 411232116 /nfs/dbraw/zinc/23/21/16/411232116.db2.gz DGZMDKJOSQPEEB-VIFPVBQESA-N 1 2 237.303 1.188 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1(C2CCC2)CC1 ZINC000652868169 411232871 /nfs/dbraw/zinc/23/28/71/411232871.db2.gz SHPILRNYDUPAFP-UHFFFAOYSA-N 1 2 219.288 1.332 20 0 BDADLO Cc1nc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)co1 ZINC000652412525 411234078 /nfs/dbraw/zinc/23/40/78/411234078.db2.gz XUJUATPQUSIAJH-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(C2CCC2)cn1 ZINC000655691272 411236002 /nfs/dbraw/zinc/23/60/02/411236002.db2.gz RWXMWANHJGOJDC-UHFFFAOYSA-N 1 2 216.288 1.932 20 0 BDADLO CCOC(=O)[C@H]1[NH2+]CC[C@H]1Nc1cccc(C)c1 ZINC000422976401 411236806 /nfs/dbraw/zinc/23/68/06/411236806.db2.gz DDAXGRRASUPLMD-OLZOCXBDSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(CN(C)Cc2cn(C)c[nH+]2)cn1 ZINC000660118948 411238832 /nfs/dbraw/zinc/23/88/32/411238832.db2.gz UTTUJPFWHQUVKD-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cn(C)cn2)cn1 ZINC000660118948 411238836 /nfs/dbraw/zinc/23/88/36/411238836.db2.gz UTTUJPFWHQUVKD-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cn(C)cn2)cn1 ZINC000660118948 411238840 /nfs/dbraw/zinc/23/88/40/411238840.db2.gz UTTUJPFWHQUVKD-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO c1csc(C[NH2+][C@@H]2CCCn3ccnc32)n1 ZINC000655696672 411241625 /nfs/dbraw/zinc/24/16/25/411241625.db2.gz IRSWIAOIFHQPBI-SECBINFHSA-N 1 2 234.328 1.964 20 0 BDADLO c1csc(CN[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000655696672 411241627 /nfs/dbraw/zinc/24/16/27/411241627.db2.gz IRSWIAOIFHQPBI-SECBINFHSA-N 1 2 234.328 1.964 20 0 BDADLO COCC1([N@H+](C)Cc2nc(C)oc2C)CC1 ZINC000660150502 411265236 /nfs/dbraw/zinc/26/52/36/411265236.db2.gz XBUPSNBKAUOIBB-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO COCC1([N@@H+](C)Cc2nc(C)oc2C)CC1 ZINC000660150502 411265238 /nfs/dbraw/zinc/26/52/38/411265238.db2.gz XBUPSNBKAUOIBB-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO C[NH+](C)CCCNc1cccc(C(=O)[O-])[nH+]1 ZINC000051042154 411270488 /nfs/dbraw/zinc/27/04/88/411270488.db2.gz PMXRMQLMPWYHBW-UHFFFAOYSA-N 1 2 223.276 1.143 20 0 BDADLO CC[C@@H]1CC[C@@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156916 411270613 /nfs/dbraw/zinc/27/06/13/411270613.db2.gz MXYAHFKGWKSDIC-BDAKNGLRSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)C(C)(C)C)[nH]1 ZINC000658159309 411272602 /nfs/dbraw/zinc/27/26/02/411272602.db2.gz PYSUPQHPFNOHMS-QMMMGPOBSA-N 1 2 226.324 1.475 20 0 BDADLO Cc1ccc(N[C@H](C)Cn2cncn2)c[nH+]1 ZINC000653464456 411281740 /nfs/dbraw/zinc/28/17/40/411281740.db2.gz ZIHLNNHBGBEBPO-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO Cn1cc[nH+]c1CN1CC(CC(F)(F)F)C1 ZINC000656686338 411328719 /nfs/dbraw/zinc/32/87/19/411328719.db2.gz FEFLLILXGUGZLA-UHFFFAOYSA-N 1 2 233.237 1.804 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000656496919 411287363 /nfs/dbraw/zinc/28/73/63/411287363.db2.gz NGGJXCVMTUNXHW-BDAKNGLRSA-N 1 2 207.277 1.035 20 0 BDADLO COCCCN(C)c1cc(CO)cc[nH+]1 ZINC000062033426 411296471 /nfs/dbraw/zinc/29/64/71/411296471.db2.gz WUDTYOQBNQHUID-UHFFFAOYSA-N 1 2 210.277 1.047 20 0 BDADLO COCCC[N@H+](C)CC(=O)c1ccccc1F ZINC000062032582 411296485 /nfs/dbraw/zinc/29/64/85/411296485.db2.gz ZBOADPOWRGTYAA-UHFFFAOYSA-N 1 2 239.290 1.977 20 0 BDADLO COCCC[N@@H+](C)CC(=O)c1ccccc1F ZINC000062032582 411296488 /nfs/dbraw/zinc/29/64/88/411296488.db2.gz ZBOADPOWRGTYAA-UHFFFAOYSA-N 1 2 239.290 1.977 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661736570 411297800 /nfs/dbraw/zinc/29/78/00/411297800.db2.gz OKMRGOPRZWCBEW-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661736570 411297804 /nfs/dbraw/zinc/29/78/04/411297804.db2.gz OKMRGOPRZWCBEW-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO CCCCOCC[N@H+](C)Cc1cn(C)nn1 ZINC000661746330 411303451 /nfs/dbraw/zinc/30/34/51/411303451.db2.gz BCKKYCDJEYKVEN-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1cn(C)nn1 ZINC000661746330 411303456 /nfs/dbraw/zinc/30/34/56/411303456.db2.gz BCKKYCDJEYKVEN-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO CCC(CC)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660245007 411304417 /nfs/dbraw/zinc/30/44/17/411304417.db2.gz MKNMPHOLHIPYRB-UHFFFAOYSA-N 1 2 224.308 1.740 20 0 BDADLO CCC(CC)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660245007 411304422 /nfs/dbraw/zinc/30/44/22/411304422.db2.gz MKNMPHOLHIPYRB-UHFFFAOYSA-N 1 2 224.308 1.740 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC000654001509 411309620 /nfs/dbraw/zinc/30/96/20/411309620.db2.gz XTYOBQHBLDLSLC-AEJSXWLSSA-N 1 2 221.304 1.736 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C ZINC000654007337 411310359 /nfs/dbraw/zinc/31/03/59/411310359.db2.gz XTYOBQHBLDLSLC-LPEHRKFASA-N 1 2 221.304 1.736 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000659829145 411312642 /nfs/dbraw/zinc/31/26/42/411312642.db2.gz NTEWLSVBUZBJFD-VHSXEESVSA-N 1 2 238.335 1.132 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000659829145 411312644 /nfs/dbraw/zinc/31/26/44/411312644.db2.gz NTEWLSVBUZBJFD-VHSXEESVSA-N 1 2 238.335 1.132 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661965908 411332294 /nfs/dbraw/zinc/33/22/94/411332294.db2.gz BYEHFWOTCFJYDG-UWVGGRQHSA-N 1 2 237.303 1.100 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661965908 411332297 /nfs/dbraw/zinc/33/22/97/411332297.db2.gz BYEHFWOTCFJYDG-UWVGGRQHSA-N 1 2 237.303 1.100 20 0 BDADLO C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000660252139 411321355 /nfs/dbraw/zinc/32/13/55/411321355.db2.gz KGEQGANAMUHZAB-BDAKNGLRSA-N 1 2 236.319 1.579 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000336711187 411332668 /nfs/dbraw/zinc/33/26/68/411332668.db2.gz PMWOIWQGHVETBG-RKDXNWHRSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000336711187 411332672 /nfs/dbraw/zinc/33/26/72/411332672.db2.gz PMWOIWQGHVETBG-RKDXNWHRSA-N 1 2 239.319 1.975 20 0 BDADLO CC(C)OCC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142992 411257664 /nfs/dbraw/zinc/25/76/64/411257664.db2.gz NWQFWKLCMGICAL-NSHDSACASA-N 1 2 241.335 1.018 20 0 BDADLO CC(C)OCC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142992 411257669 /nfs/dbraw/zinc/25/76/69/411257669.db2.gz NWQFWKLCMGICAL-NSHDSACASA-N 1 2 241.335 1.018 20 0 BDADLO O[C@H]1C[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000658348802 411349975 /nfs/dbraw/zinc/34/99/75/411349975.db2.gz RIYMIOBHRTWLAY-SRVKXCTJSA-N 1 2 244.298 1.007 20 0 BDADLO Cc1nsc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000125248235 411355469 /nfs/dbraw/zinc/35/54/69/411355469.db2.gz ABYHPBCMCRYLRO-RXMQYKEDSA-N 1 2 209.278 1.743 20 0 BDADLO COc1ccnc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000125256711 411356328 /nfs/dbraw/zinc/35/63/28/411356328.db2.gz AUVVJXKWIYXFMW-SSDOTTSWSA-N 1 2 219.248 1.381 20 0 BDADLO COc1cnc(NCc2[nH+]ccn2C(C)C)nc1 ZINC000656774648 411357107 /nfs/dbraw/zinc/35/71/07/411357107.db2.gz WZEAOYBSKCWCPH-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000403746669 411358360 /nfs/dbraw/zinc/35/83/60/411358360.db2.gz DHQZUHHZYLTGQF-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000403746669 411358364 /nfs/dbraw/zinc/35/83/64/411358364.db2.gz DHQZUHHZYLTGQF-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+](C)CCOC)n1 ZINC000120508397 411334414 /nfs/dbraw/zinc/33/44/14/411334414.db2.gz JEDMBGFMQWZUMK-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCOC)n1 ZINC000120508397 411334416 /nfs/dbraw/zinc/33/44/16/411334416.db2.gz JEDMBGFMQWZUMK-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccnn1C ZINC000658336818 411345023 /nfs/dbraw/zinc/34/50/23/411345023.db2.gz AJCYDTYCXVSMPH-NXEZZACHSA-N 1 2 233.319 1.565 20 0 BDADLO CC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000357563367 168029556 /nfs/dbraw/zinc/02/95/56/168029556.db2.gz URWQNVMFWGVVTG-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC000269966078 168055509 /nfs/dbraw/zinc/05/55/09/168055509.db2.gz WDZQBQHWARUEBC-UHFFFAOYSA-N 1 2 207.277 1.332 20 0 BDADLO CC1=C(C)CN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000281929533 168081579 /nfs/dbraw/zinc/08/15/79/168081579.db2.gz VWPUFQMMFWZXEK-UHFFFAOYSA-N 1 2 219.288 1.452 20 0 BDADLO Cc1nnc(C[N@H+]2CC=C(C)CC2)n1C ZINC000270135424 168114077 /nfs/dbraw/zinc/11/40/77/168114077.db2.gz HOWFSWLYTFVKRR-UHFFFAOYSA-N 1 2 206.293 1.276 20 0 BDADLO Cc1nnc(C[N@@H+]2CC=C(C)CC2)n1C ZINC000270135424 168114079 /nfs/dbraw/zinc/11/40/79/168114079.db2.gz HOWFSWLYTFVKRR-UHFFFAOYSA-N 1 2 206.293 1.276 20 0 BDADLO CC1CCN(C(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000336259493 168172767 /nfs/dbraw/zinc/17/27/67/168172767.db2.gz HDSINQQDTRXZBA-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO CC1CCN(C(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000336259493 168172769 /nfs/dbraw/zinc/17/27/69/168172769.db2.gz HDSINQQDTRXZBA-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2cnns2)CC1 ZINC000189560257 168179350 /nfs/dbraw/zinc/17/93/50/168179350.db2.gz HKWIHQPZYNVVRA-UHFFFAOYSA-N 1 2 240.332 1.209 20 0 BDADLO CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000104095223 168182376 /nfs/dbraw/zinc/18/23/76/168182376.db2.gz CNHIVIYJQFSEHU-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO CC1C[NH+](Cc2c(Br)cnn2C)C1 ZINC000307345137 168190584 /nfs/dbraw/zinc/19/05/84/168190584.db2.gz KOJPINPYJAWUNK-UHFFFAOYSA-N 1 2 244.136 1.634 20 0 BDADLO CCC(=O)CC[N@H+](C)Cc1cc(C)on1 ZINC000190186513 168200969 /nfs/dbraw/zinc/20/09/69/168200969.db2.gz BDPPXMAOVBKSQW-UHFFFAOYSA-N 1 2 210.277 1.784 20 0 BDADLO CCC(=O)CC[N@@H+](C)Cc1cc(C)on1 ZINC000190186513 168200971 /nfs/dbraw/zinc/20/09/71/168200971.db2.gz BDPPXMAOVBKSQW-UHFFFAOYSA-N 1 2 210.277 1.784 20 0 BDADLO CCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365208495 168218784 /nfs/dbraw/zinc/21/87/84/168218784.db2.gz ZKJUHQLZUBDSGL-JTQLQIEISA-N 1 2 221.304 1.536 20 0 BDADLO CCC(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000334156105 168221088 /nfs/dbraw/zinc/22/10/88/168221088.db2.gz XMMWPGASOBWODD-LBPRGKRZSA-N 1 2 248.326 1.578 20 0 BDADLO CCC(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000334156104 168221262 /nfs/dbraw/zinc/22/12/62/168221262.db2.gz XMMWPGASOBWODD-GFCCVEGCSA-N 1 2 248.326 1.578 20 0 BDADLO CCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000340665128 168234743 /nfs/dbraw/zinc/23/47/43/168234743.db2.gz DIBMDDHOKRWWGJ-UHFFFAOYSA-N 1 2 235.209 1.472 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342094661 168289426 /nfs/dbraw/zinc/28/94/26/168289426.db2.gz FKXLVCKCIVHPNA-PHIMTYICSA-N 1 2 240.347 1.154 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342094661 168289428 /nfs/dbraw/zinc/28/94/28/168289428.db2.gz FKXLVCKCIVHPNA-PHIMTYICSA-N 1 2 240.347 1.154 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000654851852 411456275 /nfs/dbraw/zinc/45/62/75/411456275.db2.gz DHCXMCFDQCOBPW-UHFFFAOYSA-N 1 2 235.243 1.250 20 0 BDADLO COc1cc(C[NH2+]Cc2nc(C)c[nH]2)ccn1 ZINC000657304132 411456751 /nfs/dbraw/zinc/45/67/51/411456751.db2.gz ITAINVKPKCZNLY-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657309294 411457662 /nfs/dbraw/zinc/45/76/62/411457662.db2.gz LGRXFPURIIPIOI-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO C[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659812032 411460781 /nfs/dbraw/zinc/46/07/81/411460781.db2.gz OGWJJDTVSDONPJ-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659812032 411460783 /nfs/dbraw/zinc/46/07/83/411460783.db2.gz OGWJJDTVSDONPJ-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO CC(C)n1ccnc1C[NH2+]Cc1ccnn1C ZINC000657307351 411460889 /nfs/dbraw/zinc/46/08/89/411460889.db2.gz OFTKDRWYKYYOND-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654635309 411421149 /nfs/dbraw/zinc/42/11/49/411421149.db2.gz UAEDSPSIVSQZSY-ZETCQYMHSA-N 1 2 248.286 1.832 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654635309 411421152 /nfs/dbraw/zinc/42/11/52/411421152.db2.gz UAEDSPSIVSQZSY-ZETCQYMHSA-N 1 2 248.286 1.832 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc[nH]c1=O ZINC000654654560 411422918 /nfs/dbraw/zinc/42/29/18/411422918.db2.gz AJQHJGGOCUNFBA-MRVPVSSYSA-N 1 2 246.270 1.328 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc[nH]c1=O ZINC000654654560 411422920 /nfs/dbraw/zinc/42/29/20/411422920.db2.gz AJQHJGGOCUNFBA-MRVPVSSYSA-N 1 2 246.270 1.328 20 0 BDADLO COCC[NH+](CCOC)Cc1nc(C)oc1C ZINC000659818212 411462697 /nfs/dbraw/zinc/46/26/97/411462697.db2.gz MWLZDYVBQDKIMG-UHFFFAOYSA-N 1 2 242.319 1.386 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(C)(O)CC1 ZINC000271156374 411428041 /nfs/dbraw/zinc/42/80/41/411428041.db2.gz BQIKVWZWJDXEQC-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnn3c2CCC3)cs1 ZINC000657318237 411463130 /nfs/dbraw/zinc/46/31/30/411463130.db2.gz NUPHAPZAOCIQBC-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO CC(C)[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660372064 411441970 /nfs/dbraw/zinc/44/19/70/411441970.db2.gz VOFHLGBMCBMAOZ-NSHDSACASA-N 1 2 222.336 1.715 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660372064 411441972 /nfs/dbraw/zinc/44/19/72/411441972.db2.gz VOFHLGBMCBMAOZ-NSHDSACASA-N 1 2 222.336 1.715 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCn3ccnc32)ncn1 ZINC000655738599 411444115 /nfs/dbraw/zinc/44/41/15/411444115.db2.gz YKKVPYOTPRQEGI-LBPRGKRZSA-N 1 2 243.314 1.606 20 0 BDADLO Cc1[nH]c(CNCc2ccccn2)[nH+]c1C ZINC000657286032 411444745 /nfs/dbraw/zinc/44/47/45/411444745.db2.gz LZJONLSJUHHFJX-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccccn2)[nH]c1C ZINC000657286032 411444747 /nfs/dbraw/zinc/44/47/47/411444747.db2.gz LZJONLSJUHHFJX-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1nn(Cc2ccc(C)[nH+]c2C)c(=O)o1 ZINC000657278278 411449294 /nfs/dbraw/zinc/44/92/94/411449294.db2.gz CYIHKTAUTVBTTH-UHFFFAOYSA-N 1 2 219.244 1.205 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC1CC1 ZINC000654933237 411464642 /nfs/dbraw/zinc/46/46/42/411464642.db2.gz XALHNBHNLQPQRF-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC1CC1 ZINC000654933237 411464644 /nfs/dbraw/zinc/46/46/44/411464644.db2.gz XALHNBHNLQPQRF-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1F ZINC000654986603 411471970 /nfs/dbraw/zinc/47/19/70/411471970.db2.gz MQTCGMLSGSNIIK-MNOVXSKESA-N 1 2 242.338 1.535 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1nc(C)oc1C ZINC000659854603 411478207 /nfs/dbraw/zinc/47/82/07/411478207.db2.gz ZOJSEBRMTIRDPJ-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1nc(C)oc1C ZINC000659854603 411478211 /nfs/dbraw/zinc/47/82/11/411478211.db2.gz ZOJSEBRMTIRDPJ-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCOC2)c(C)o1 ZINC000659908187 411481670 /nfs/dbraw/zinc/48/16/70/411481670.db2.gz OXUBBYNHLNQAOI-SNVBAGLBSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCOC2)c(C)o1 ZINC000659908187 411481671 /nfs/dbraw/zinc/48/16/71/411481671.db2.gz OXUBBYNHLNQAOI-SNVBAGLBSA-N 1 2 210.277 1.512 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2coc(C3CC3)n2)C1 ZINC000655051689 411485342 /nfs/dbraw/zinc/48/53/42/411485342.db2.gz KOTCAMCUEKJXFP-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000659874785 411486317 /nfs/dbraw/zinc/48/63/17/411486317.db2.gz REPIUECMDUGQGL-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000659874785 411486318 /nfs/dbraw/zinc/48/63/18/411486318.db2.gz REPIUECMDUGQGL-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)n1 ZINC000657389938 411491502 /nfs/dbraw/zinc/49/15/02/411491502.db2.gz PGTMEVOWXVQLCS-JSGCOSHPSA-N 1 2 243.310 1.466 20 0 BDADLO COc1ccc(C(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000655092409 411494222 /nfs/dbraw/zinc/49/42/22/411494222.db2.gz SQKLUJNMBGISNH-UHFFFAOYSA-N 1 2 247.254 1.141 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(F)F ZINC000655113526 411497204 /nfs/dbraw/zinc/49/72/04/411497204.db2.gz ZFMMNDJXRCQVDH-SSDOTTSWSA-N 1 2 231.246 1.360 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(F)F ZINC000655113526 411497207 /nfs/dbraw/zinc/49/72/07/411497207.db2.gz ZFMMNDJXRCQVDH-SSDOTTSWSA-N 1 2 231.246 1.360 20 0 BDADLO Cc1c[nH]c(CNc2ccccc2CO)[nH+]1 ZINC000657405036 411497265 /nfs/dbraw/zinc/49/72/65/411497265.db2.gz XVSPEOHNISMEKY-UHFFFAOYSA-N 1 2 217.272 1.823 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cnccc1CO ZINC000657412603 411498544 /nfs/dbraw/zinc/49/85/44/411498544.db2.gz HMMPCYJLVJGSAD-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000655134786 411501683 /nfs/dbraw/zinc/50/16/83/411501683.db2.gz NRZIPGDMIISNCL-IUCAKERBSA-N 1 2 245.286 1.350 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000657418498 411502183 /nfs/dbraw/zinc/50/21/83/411502183.db2.gz HPHMBXHXFXPMBC-QMMMGPOBSA-N 1 2 205.265 1.292 20 0 BDADLO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000655134785 411502222 /nfs/dbraw/zinc/50/22/22/411502222.db2.gz NRZIPGDMIISNCL-DTWKUNHWSA-N 1 2 245.286 1.350 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cnn3c2CCC3)s1 ZINC000657428821 411507234 /nfs/dbraw/zinc/50/72/34/411507234.db2.gz CBBUBAYNSIIDQK-UHFFFAOYSA-N 1 2 249.343 1.279 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]C2CC(F)(F)C2)n1 ZINC000657449171 411510482 /nfs/dbraw/zinc/51/04/82/411510482.db2.gz PZEUNZFRAMIWFW-UHFFFAOYSA-N 1 2 245.277 1.315 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000660442284 411510870 /nfs/dbraw/zinc/51/08/70/411510870.db2.gz RPFXSRPUYSFOAT-LLVKDONJSA-N 1 2 238.335 1.094 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000660442284 411510872 /nfs/dbraw/zinc/51/08/72/411510872.db2.gz RPFXSRPUYSFOAT-LLVKDONJSA-N 1 2 238.335 1.094 20 0 BDADLO COc1nn(C)cc1NCc1[nH+]ccn1C(C)C ZINC000657445372 411512918 /nfs/dbraw/zinc/51/29/18/411512918.db2.gz BVIISEQOBZIJLM-UHFFFAOYSA-N 1 2 249.318 1.818 20 0 BDADLO Oc1cccnc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657452211 411513860 /nfs/dbraw/zinc/51/38/60/411513860.db2.gz AWJCCBPJCYGBPT-UHFFFAOYSA-N 1 2 244.298 1.220 20 0 BDADLO CCn1cccc(C[NH2+]Cc2ncc(C)[nH]2)c1=O ZINC000657452688 411514723 /nfs/dbraw/zinc/51/47/23/411514723.db2.gz OURNXEKDBCXNFQ-UHFFFAOYSA-N 1 2 246.314 1.190 20 0 BDADLO CCn1cccc(CNCc2[nH]c(C)c[nH+]2)c1=O ZINC000657452688 411514726 /nfs/dbraw/zinc/51/47/26/411514726.db2.gz OURNXEKDBCXNFQ-UHFFFAOYSA-N 1 2 246.314 1.190 20 0 BDADLO CC(C)[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655797868 411517025 /nfs/dbraw/zinc/51/70/25/411517025.db2.gz RIBYPVISGSUKKE-UWVGGRQHSA-N 1 2 238.335 1.790 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000657457107 411520849 /nfs/dbraw/zinc/52/08/49/411520849.db2.gz FHAJCOLRPFPNGJ-UWVGGRQHSA-N 1 2 237.303 1.604 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ncccc2N(C)C)n1 ZINC000657471161 411522891 /nfs/dbraw/zinc/52/28/91/411522891.db2.gz NIABGWNEBQYASJ-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO C[C@@H](F)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657475394 411524799 /nfs/dbraw/zinc/52/47/99/411524799.db2.gz ROIGDXWBHZZIMD-MRVPVSSYSA-N 1 2 229.303 1.266 20 0 BDADLO CC[C@H](C)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655818621 411525477 /nfs/dbraw/zinc/52/54/77/411525477.db2.gz MLGOYXRTFWWESO-VHSXEESVSA-N 1 2 238.335 1.792 20 0 BDADLO C([NH2+]CC1CC1)c1nnc([C@@H]2CCCO2)[nH]1 ZINC000655817969 411528331 /nfs/dbraw/zinc/52/83/31/411528331.db2.gz BTKCGAGVZCNXGK-VIFPVBQESA-N 1 2 222.292 1.156 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]Cc2cc[nH]c2)n1 ZINC000655832446 411529187 /nfs/dbraw/zinc/52/91/87/411529187.db2.gz XRCQSHXPEDHSTQ-UHFFFAOYSA-N 1 2 234.307 1.046 20 0 BDADLO CCc1ncc(CNCc2[nH]cc(C)[nH+]2)o1 ZINC000657486172 411530221 /nfs/dbraw/zinc/53/02/21/411530221.db2.gz SHUWHGUWYGHQTF-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654951223 411466073 /nfs/dbraw/zinc/46/60/73/411466073.db2.gz NTMBZJLRAMNZJJ-JTQLQIEISA-N 1 2 235.331 1.703 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654951223 411466075 /nfs/dbraw/zinc/46/60/75/411466075.db2.gz NTMBZJLRAMNZJJ-JTQLQIEISA-N 1 2 235.331 1.703 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC[C@H](C)O)[C@@H](C)C1 ZINC000336770814 170035182 /nfs/dbraw/zinc/03/51/82/170035182.db2.gz VYXGUDGYIZSWNI-SRVKXCTJSA-N 1 2 214.353 1.077 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2ccccc2O)[C@@H](C)C1 ZINC000358219747 170036080 /nfs/dbraw/zinc/03/60/80/170036080.db2.gz JLLKLUHHRJKYIE-JSGCOSHPSA-N 1 2 248.370 1.865 20 0 BDADLO CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000337320278 170043728 /nfs/dbraw/zinc/04/37/28/170043728.db2.gz AUMOBOJCCHJVMJ-UHFFFAOYSA-N 1 2 220.263 1.100 20 0 BDADLO CC1=CC[N@H+](CC(=O)Nc2cnccn2)CC1 ZINC000660127171 411541402 /nfs/dbraw/zinc/54/14/02/411541402.db2.gz IYCFQCSPUXRWMU-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO CC1=CC[N@@H+](CC(=O)Nc2cnccn2)CC1 ZINC000660127171 411541404 /nfs/dbraw/zinc/54/14/04/411541404.db2.gz IYCFQCSPUXRWMU-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO CCNC(=O)CCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000104827740 170048831 /nfs/dbraw/zinc/04/88/31/170048831.db2.gz AUYPAZIWHCKWSW-UHFFFAOYSA-N 1 2 249.314 1.635 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1scnc1C ZINC000171774100 170055312 /nfs/dbraw/zinc/05/53/12/170055312.db2.gz RNZDNRSRCVRWFX-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1scnc1C ZINC000171774100 170055315 /nfs/dbraw/zinc/05/53/15/170055315.db2.gz RNZDNRSRCVRWFX-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(F)cn1 ZINC000276434043 170056894 /nfs/dbraw/zinc/05/68/94/170056894.db2.gz ZESAGHYOVSKATG-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(F)cn1 ZINC000276434043 170056895 /nfs/dbraw/zinc/05/68/95/170056895.db2.gz ZESAGHYOVSKATG-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cccnc1C ZINC000119338346 170057753 /nfs/dbraw/zinc/05/77/53/170057753.db2.gz BEWUXUIRPMSKPB-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cccnc1C ZINC000119338346 170057755 /nfs/dbraw/zinc/05/77/55/170057755.db2.gz BEWUXUIRPMSKPB-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)CNc1ccc2ccccc2[nH+]1 ZINC000035133808 170066370 /nfs/dbraw/zinc/06/63/70/170066370.db2.gz GBTNOYNZSZZRQV-UHFFFAOYSA-N 1 2 229.283 1.783 20 0 BDADLO CCNC(=O)[C@@H]([NH2+]Cc1cc(C)on1)C(C)C ZINC000293328997 170091681 /nfs/dbraw/zinc/09/16/81/170091681.db2.gz ROHSSFHNDMFGSZ-NSHDSACASA-N 1 2 239.319 1.233 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000294169548 170096205 /nfs/dbraw/zinc/09/62/05/170096205.db2.gz RGDWHFTYAPGDJK-UTLUCORTSA-N 1 2 236.319 1.003 20 0 BDADLO CO[C@H](C[N@@H+]1CCC(F)(F)C1)[C@H]1CCOC1 ZINC000660216638 411554589 /nfs/dbraw/zinc/55/45/89/411554589.db2.gz YFDCUKFJRIYLTR-VHSXEESVSA-N 1 2 235.274 1.379 20 0 BDADLO CO[C@H](C[N@H+]1CCC(F)(F)C1)[C@H]1CCOC1 ZINC000660216638 411554591 /nfs/dbraw/zinc/55/45/91/411554591.db2.gz YFDCUKFJRIYLTR-VHSXEESVSA-N 1 2 235.274 1.379 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cccnc1N ZINC000660143478 411544857 /nfs/dbraw/zinc/54/48/57/411544857.db2.gz VUIIMWYWKUFDCR-UHFFFAOYSA-N 1 2 217.276 1.019 20 0 BDADLO Cc1nocc1CN(C)Cc1[nH]cc[nH+]1 ZINC000660141635 411545011 /nfs/dbraw/zinc/54/50/11/411545011.db2.gz HHSLBOKVOFRNQM-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000660151031 411546766 /nfs/dbraw/zinc/54/67/66/411546766.db2.gz NGCMPRQXQRYPHX-ZDUSSCGKSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000660151031 411546768 /nfs/dbraw/zinc/54/67/68/411546768.db2.gz NGCMPRQXQRYPHX-ZDUSSCGKSA-N 1 2 236.315 1.848 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000376132475 170218176 /nfs/dbraw/zinc/21/81/76/170218176.db2.gz LMKUOGGQZOAWFN-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000376132475 170218177 /nfs/dbraw/zinc/21/81/77/170218177.db2.gz LMKUOGGQZOAWFN-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H](O)C(C)C)C1CC1 ZINC000309124722 170218198 /nfs/dbraw/zinc/21/81/98/170218198.db2.gz QVISKVVMJJZGIE-LLVKDONJSA-N 1 2 229.320 1.031 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H](O)C(C)C)C1CC1 ZINC000309124722 170218199 /nfs/dbraw/zinc/21/81/99/170218199.db2.gz QVISKVVMJJZGIE-LLVKDONJSA-N 1 2 229.320 1.031 20 0 BDADLO CCOC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000369120509 170218895 /nfs/dbraw/zinc/21/88/95/170218895.db2.gz UULUZKPGCSXYQT-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000342136458 170219932 /nfs/dbraw/zinc/21/99/32/170219932.db2.gz UDBPHPNXKLLEGH-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000342136458 170219933 /nfs/dbraw/zinc/21/99/33/170219933.db2.gz UDBPHPNXKLLEGH-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000342119827 170221200 /nfs/dbraw/zinc/22/12/00/170221200.db2.gz DAVPNEAPTCQCQZ-MRVPVSSYSA-N 1 2 239.237 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000342119827 170221202 /nfs/dbraw/zinc/22/12/02/170221202.db2.gz DAVPNEAPTCQCQZ-MRVPVSSYSA-N 1 2 239.237 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292432056 170222598 /nfs/dbraw/zinc/22/25/98/170222598.db2.gz NRVPZJBFZMDQIF-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO CCOC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292432056 170222599 /nfs/dbraw/zinc/22/25/99/170222599.db2.gz NRVPZJBFZMDQIF-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO CCOC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000070250203 170240301 /nfs/dbraw/zinc/24/03/01/170240301.db2.gz DZLXKTZZFDJZQG-UHFFFAOYSA-N 1 2 249.314 1.356 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@H]1COC(C)(C)C1)CC2 ZINC000660239852 411557627 /nfs/dbraw/zinc/55/76/27/411557627.db2.gz YFNAHWDAOKLJKR-LLVKDONJSA-N 1 2 235.331 1.575 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@H]1COC(C)(C)C1)CC2 ZINC000660239852 411557628 /nfs/dbraw/zinc/55/76/28/411557628.db2.gz YFNAHWDAOKLJKR-LLVKDONJSA-N 1 2 235.331 1.575 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1coc(C)n1)CC2 ZINC000660241505 411558366 /nfs/dbraw/zinc/55/83/66/411558366.db2.gz KGLJIMZYROPYNL-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362566008 170249605 /nfs/dbraw/zinc/24/96/05/170249605.db2.gz WEUBKMZANKFVHJ-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362566008 170249606 /nfs/dbraw/zinc/24/96/06/170249606.db2.gz WEUBKMZANKFVHJ-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660245141 411558981 /nfs/dbraw/zinc/55/89/81/411558981.db2.gz OEWOIIVEZRPHCD-DTWKUNHWSA-N 1 2 224.308 1.579 20 0 BDADLO CCC[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660246630 411559726 /nfs/dbraw/zinc/55/97/26/411559726.db2.gz LBXRFWYKABHWLB-SECBINFHSA-N 1 2 224.308 1.740 20 0 BDADLO CCC[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660246630 411559727 /nfs/dbraw/zinc/55/97/27/411559727.db2.gz LBXRFWYKABHWLB-SECBINFHSA-N 1 2 224.308 1.740 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000038593266 170257123 /nfs/dbraw/zinc/25/71/23/170257123.db2.gz LHBREMSQMKJMIR-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000038593266 170257124 /nfs/dbraw/zinc/25/71/24/170257124.db2.gz LHBREMSQMKJMIR-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000124399256 170258592 /nfs/dbraw/zinc/25/85/92/170258592.db2.gz RVQIVPJDYIMSJU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ncccc1C ZINC000124399256 170258593 /nfs/dbraw/zinc/25/85/93/170258593.db2.gz RVQIVPJDYIMSJU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO OC/C=C\C[NH2+]Cc1ncc(Cl)s1 ZINC000657594755 411560448 /nfs/dbraw/zinc/56/04/48/411560448.db2.gz UAUIXSLFUOIDTR-UPHRSURJSA-N 1 2 218.709 1.435 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111272962 170267147 /nfs/dbraw/zinc/26/71/47/170267147.db2.gz SBYZUEYIJXIUPO-DCAQKATOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111272962 170267149 /nfs/dbraw/zinc/26/71/49/170267149.db2.gz SBYZUEYIJXIUPO-DCAQKATOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000358793465 170268284 /nfs/dbraw/zinc/26/82/84/170268284.db2.gz VBELFJGYMUPZNK-AEJSXWLSSA-N 1 2 245.319 1.115 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000340846403 170268368 /nfs/dbraw/zinc/26/83/68/170268368.db2.gz DSSSNOVBGZTMCG-OUJBWJOFSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000308489892 170268777 /nfs/dbraw/zinc/26/87/77/170268777.db2.gz QDTNPWFSIWBJGF-XHNCKOQMSA-N 1 2 217.334 1.279 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1CCCO1 ZINC000037957731 170270278 /nfs/dbraw/zinc/27/02/78/170270278.db2.gz ADZWNNBZYJQMRO-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)CC(C)C)[nH]1 ZINC000657608368 411561965 /nfs/dbraw/zinc/56/19/65/411561965.db2.gz WKDBUBYPFQILFN-SECBINFHSA-N 1 2 226.324 1.475 20 0 BDADLO C[C@H](NC(=O)NCC1CC1)c1[nH+]ccn1C ZINC000660268079 411562234 /nfs/dbraw/zinc/56/22/34/411562234.db2.gz CVQBFZFPPUZRNW-QMMMGPOBSA-N 1 2 222.292 1.190 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000054462313 170280019 /nfs/dbraw/zinc/28/00/19/170280019.db2.gz CLNREMFCFPHHMK-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000054462313 170280020 /nfs/dbraw/zinc/28/00/20/170280020.db2.gz CLNREMFCFPHHMK-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccn1C ZINC000180763619 170281003 /nfs/dbraw/zinc/28/10/03/170281003.db2.gz QFEMVQGGUCJWEU-GFCCVEGCSA-N 1 2 236.315 1.553 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccn1C ZINC000180763619 170281004 /nfs/dbraw/zinc/28/10/04/170281004.db2.gz QFEMVQGGUCJWEU-GFCCVEGCSA-N 1 2 236.315 1.553 20 0 BDADLO CC(C)=CCCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000660370858 411573495 /nfs/dbraw/zinc/57/34/95/411573495.db2.gz GAQANJXNZPKTHN-UHFFFAOYSA-N 1 2 240.391 1.731 20 0 BDADLO CC(C)=CCCN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660370858 411573496 /nfs/dbraw/zinc/57/34/96/411573496.db2.gz GAQANJXNZPKTHN-UHFFFAOYSA-N 1 2 240.391 1.731 20 0 BDADLO CCOC1CC(C[N@H+](C)Cc2noc(C)n2)C1 ZINC000331969039 170323524 /nfs/dbraw/zinc/32/35/24/170323524.db2.gz CMFGXDDMCBTSBZ-UHFFFAOYSA-N 1 2 239.319 1.625 20 0 BDADLO CCOC1CC(C[N@@H+](C)Cc2noc(C)n2)C1 ZINC000331969039 170323527 /nfs/dbraw/zinc/32/35/27/170323527.db2.gz CMFGXDDMCBTSBZ-UHFFFAOYSA-N 1 2 239.319 1.625 20 0 BDADLO CCOC1CC(C[N@H+](C)Cc2nnc[nH]2)C1 ZINC000332015560 170323820 /nfs/dbraw/zinc/32/38/20/170323820.db2.gz SCTODFPNBBPJAE-UHFFFAOYSA-N 1 2 224.308 1.052 20 0 BDADLO CCOC1CC(C[N@@H+](C)Cc2nnc[nH]2)C1 ZINC000332015560 170323822 /nfs/dbraw/zinc/32/38/22/170323822.db2.gz SCTODFPNBBPJAE-UHFFFAOYSA-N 1 2 224.308 1.052 20 0 BDADLO CCOC1CC(N(C)c2cc[nH+]c(C)n2)C1 ZINC000288605909 170327526 /nfs/dbraw/zinc/32/75/26/170327526.db2.gz UIWFPQHEHXQURY-UHFFFAOYSA-N 1 2 221.304 1.789 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000295813026 170335921 /nfs/dbraw/zinc/33/59/21/170335921.db2.gz BQTSMLZKQDNEPT-CYBMUJFWSA-N 1 2 239.290 1.580 20 0 BDADLO CCOCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341724484 170347625 /nfs/dbraw/zinc/34/76/25/170347625.db2.gz ZRAMESWFQSPHIT-NSHDSACASA-N 1 2 237.303 1.024 20 0 BDADLO CCOCC(=O)Nc1cc[nH+]cc1CC ZINC000265005458 170348911 /nfs/dbraw/zinc/34/89/11/170348911.db2.gz GGCYGPZEAPPEBJ-UHFFFAOYSA-N 1 2 208.261 1.619 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1nc(C2CC2)no1 ZINC000339373169 170355812 /nfs/dbraw/zinc/35/58/12/170355812.db2.gz TZUNVLGNSTWPFI-UHFFFAOYSA-N 1 2 239.319 1.852 20 0 BDADLO CCOCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276634815 170362208 /nfs/dbraw/zinc/36/22/08/170362208.db2.gz PYGAAEOCVSFCBA-LLVKDONJSA-N 1 2 239.319 1.650 20 0 BDADLO CCOCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000087437068 170366789 /nfs/dbraw/zinc/36/67/89/170366789.db2.gz KIIURRSNMGTAJU-UHFFFAOYSA-N 1 2 223.276 1.419 20 0 BDADLO CCOCCCSc1nc(N)cc(CC)[nH+]1 ZINC000336657636 170385111 /nfs/dbraw/zinc/38/51/11/170385111.db2.gz ILYGREYTHGNWPA-UHFFFAOYSA-N 1 2 241.360 1.970 20 0 BDADLO CCOCC[N@H+](C)Cc1cc(F)ncc1F ZINC000291466328 170389921 /nfs/dbraw/zinc/38/99/21/170389921.db2.gz OHYDRAZECYBJLT-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc(F)ncc1F ZINC000291466328 170389922 /nfs/dbraw/zinc/38/99/22/170389922.db2.gz OHYDRAZECYBJLT-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO CCOCC[N@H+](C)Cc1cc(C)n(C)n1 ZINC000357551902 170390358 /nfs/dbraw/zinc/39/03/58/170390358.db2.gz JBQMKLMMBQMLMZ-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc(C)n(C)n1 ZINC000357551902 170390359 /nfs/dbraw/zinc/39/03/59/170390359.db2.gz JBQMKLMMBQMLMZ-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(C)CC1 ZINC000660794545 411635561 /nfs/dbraw/zinc/63/55/61/411635561.db2.gz FYUSNJRTBNZQEV-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(C)CC1 ZINC000660794545 411635564 /nfs/dbraw/zinc/63/55/64/411635564.db2.gz FYUSNJRTBNZQEV-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1csnn1 ZINC000660811248 411642772 /nfs/dbraw/zinc/64/27/72/411642772.db2.gz GYYSUWPJIFEXCJ-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1csnn1 ZINC000660811248 411642778 /nfs/dbraw/zinc/64/27/78/411642778.db2.gz GYYSUWPJIFEXCJ-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO COC[C@@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000601755794 411644079 /nfs/dbraw/zinc/64/40/79/411644079.db2.gz ZDOLUDUYYLDEQG-LBPRGKRZSA-N 1 2 237.303 1.163 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ncc[nH]1 ZINC000657718607 411586975 /nfs/dbraw/zinc/58/69/75/411586975.db2.gz LXPITHIRBKXXPK-UHFFFAOYSA-N 1 2 245.330 1.701 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660466075 411589868 /nfs/dbraw/zinc/58/98/68/411589868.db2.gz DNGGKLJDRDOQGG-VHSXEESVSA-N 1 2 238.335 1.986 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660466075 411589869 /nfs/dbraw/zinc/58/98/69/411589869.db2.gz DNGGKLJDRDOQGG-VHSXEESVSA-N 1 2 238.335 1.986 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000660488234 411593267 /nfs/dbraw/zinc/59/32/67/411593267.db2.gz DEFHOKKBYSOKDX-GFCCVEGCSA-N 1 2 240.278 1.458 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000660488234 411593268 /nfs/dbraw/zinc/59/32/68/411593268.db2.gz DEFHOKKBYSOKDX-GFCCVEGCSA-N 1 2 240.278 1.458 20 0 BDADLO Cn1cnc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000660561836 411600251 /nfs/dbraw/zinc/60/02/51/411600251.db2.gz BPXFRGIRZHWASD-QWHCGFSZSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1cnc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000660561836 411600252 /nfs/dbraw/zinc/60/02/52/411600252.db2.gz BPXFRGIRZHWASD-QWHCGFSZSA-N 1 2 249.358 1.810 20 0 BDADLO COc1ncccc1CN1CCn2c[nH+]cc2C1 ZINC000660582735 411602891 /nfs/dbraw/zinc/60/28/91/411602891.db2.gz YZKGYLUVNKLYBH-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO Cc1nc(CN2CCn3c[nH+]cc3C2)co1 ZINC000660583067 411603616 /nfs/dbraw/zinc/60/36/16/411603616.db2.gz FXFIBBYZECFLDX-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000660656863 411613981 /nfs/dbraw/zinc/61/39/81/411613981.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 1 2 248.374 1.301 20 0 BDADLO C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000660656863 411613983 /nfs/dbraw/zinc/61/39/83/411613983.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 1 2 248.374 1.301 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000660680758 411617057 /nfs/dbraw/zinc/61/70/57/411617057.db2.gz XCOIODDWSKEHIC-LBPRGKRZSA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000660680758 411617058 /nfs/dbraw/zinc/61/70/58/411617058.db2.gz XCOIODDWSKEHIC-LBPRGKRZSA-N 1 2 233.315 1.134 20 0 BDADLO CCO[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660721255 411619041 /nfs/dbraw/zinc/61/90/41/411619041.db2.gz NNOZRVIKWHLNCW-ZYHUDNBSSA-N 1 2 238.335 1.094 20 0 BDADLO CCO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660721255 411619042 /nfs/dbraw/zinc/61/90/42/411619042.db2.gz NNOZRVIKWHLNCW-ZYHUDNBSSA-N 1 2 238.335 1.094 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nc(C)oc1C ZINC000660752733 411620784 /nfs/dbraw/zinc/62/07/84/411620784.db2.gz SXNNQLGWGUIICI-VXGBXAGGSA-N 1 2 240.303 1.185 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC1(C)CC1 ZINC000661098999 411706654 /nfs/dbraw/zinc/70/66/54/411706654.db2.gz UFJZBWPYPPYUAE-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC1(C)CC1 ZINC000661098999 411706657 /nfs/dbraw/zinc/70/66/57/411706657.db2.gz UFJZBWPYPPYUAE-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cccc[nH+]2)[C@H]1OC ZINC000272752311 170491867 /nfs/dbraw/zinc/49/18/67/170491867.db2.gz JZOFGXLEYAADAC-HOSYDEDBSA-N 1 2 222.288 1.686 20 0 BDADLO Cc1cc(NCCNc2ncccn2)nc[nH+]1 ZINC000602595113 411649587 /nfs/dbraw/zinc/64/95/87/411649587.db2.gz DCSQPIIKSDRJDF-UHFFFAOYSA-N 1 2 230.275 1.099 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)nc1 ZINC000663408335 411650513 /nfs/dbraw/zinc/65/05/13/411650513.db2.gz NMGVGRKKYWWAQG-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)nc1 ZINC000663408335 411650517 /nfs/dbraw/zinc/65/05/17/411650517.db2.gz NMGVGRKKYWWAQG-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO COC1(CC[N@H+](C)Cc2n[nH]c(=O)o2)CCC1 ZINC000660841059 411652968 /nfs/dbraw/zinc/65/29/68/411652968.db2.gz AIOOAANIASAGMX-UHFFFAOYSA-N 1 2 241.291 1.166 20 0 BDADLO COC1(CC[N@@H+](C)Cc2n[nH]c(=O)o2)CCC1 ZINC000660841059 411652972 /nfs/dbraw/zinc/65/29/72/411652972.db2.gz AIOOAANIASAGMX-UHFFFAOYSA-N 1 2 241.291 1.166 20 0 BDADLO CO[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488382400 411673526 /nfs/dbraw/zinc/67/35/26/411673526.db2.gz VCEXIECHFUOBKO-MRVPVSSYSA-N 1 2 239.323 1.083 20 0 BDADLO CO[C@H](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488382400 411673532 /nfs/dbraw/zinc/67/35/32/411673532.db2.gz VCEXIECHFUOBKO-MRVPVSSYSA-N 1 2 239.323 1.083 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000660933450 411683452 /nfs/dbraw/zinc/68/34/52/411683452.db2.gz CBRJVDHXEWGRKB-UWVGGRQHSA-N 1 2 206.293 1.488 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000660933450 411683454 /nfs/dbraw/zinc/68/34/54/411683454.db2.gz CBRJVDHXEWGRKB-UWVGGRQHSA-N 1 2 206.293 1.488 20 0 BDADLO CC(C)c1nc(CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000661087618 411700133 /nfs/dbraw/zinc/70/01/33/411700133.db2.gz VNBQLLQGXIOARA-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO CC(C)c1nc(CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000661087618 411700138 /nfs/dbraw/zinc/70/01/38/411700138.db2.gz VNBQLLQGXIOARA-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nnc(C2CC2)s1 ZINC000661090041 411703238 /nfs/dbraw/zinc/70/32/38/411703238.db2.gz BUUWUHCOTPTYIZ-UHFFFAOYSA-N 1 2 249.343 1.771 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nnc(C2CC2)s1 ZINC000661090041 411703239 /nfs/dbraw/zinc/70/32/39/411703239.db2.gz BUUWUHCOTPTYIZ-UHFFFAOYSA-N 1 2 249.343 1.771 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509400 411791565 /nfs/dbraw/zinc/79/15/65/411791565.db2.gz CDOOTMBRCTZKKI-NEPJUHHUSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509400 411791567 /nfs/dbraw/zinc/79/15/67/411791567.db2.gz CDOOTMBRCTZKKI-NEPJUHHUSA-N 1 2 236.290 1.836 20 0 BDADLO Cn1c[nH+]cc1CN1c2ccccc2C[C@H]1CO ZINC000661366951 411757072 /nfs/dbraw/zinc/75/70/72/411757072.db2.gz HAVFNLZVSTVJPK-LBPRGKRZSA-N 1 2 243.310 1.344 20 0 BDADLO CCNC(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512812 411793266 /nfs/dbraw/zinc/79/32/66/411793266.db2.gz GGYSZBISUHYMBS-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512812 411793272 /nfs/dbraw/zinc/79/32/72/411793272.db2.gz GGYSZBISUHYMBS-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCc1cc(NCC2(C(N)=O)CCCC2)nc[nH+]1 ZINC000604380269 411769613 /nfs/dbraw/zinc/76/96/13/411769613.db2.gz IDXBAERNURQOJR-UHFFFAOYSA-N 1 2 248.330 1.497 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000661412673 411770085 /nfs/dbraw/zinc/77/00/85/411770085.db2.gz HWICEMPUUQJAIM-ZJUUUORDSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000661412673 411770087 /nfs/dbraw/zinc/77/00/87/411770087.db2.gz HWICEMPUUQJAIM-ZJUUUORDSA-N 1 2 235.274 1.113 20 0 BDADLO COc1nc(C)cc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000663920979 411777365 /nfs/dbraw/zinc/77/73/65/411777365.db2.gz YSNYCZTYLYUSRY-UHFFFAOYSA-N 1 2 245.286 1.079 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cn(C)cn1 ZINC000661463800 411780856 /nfs/dbraw/zinc/78/08/56/411780856.db2.gz UBHJCBOUCXVAIC-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cn(C)cn1 ZINC000661463800 411780860 /nfs/dbraw/zinc/78/08/60/411780860.db2.gz UBHJCBOUCXVAIC-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C2CC2)[nH]n1 ZINC000616334109 411783169 /nfs/dbraw/zinc/78/31/69/411783169.db2.gz OVXLLHGLOLINJT-UHFFFAOYSA-N 1 2 245.286 1.500 20 0 BDADLO Cc1nc(N2CCC23COC3)c2c([nH+]1)CCCC2 ZINC000663973666 411796928 /nfs/dbraw/zinc/79/69/28/411796928.db2.gz LKUGWMCHOJOPIA-UHFFFAOYSA-N 1 2 245.326 1.643 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2C=CCCC2)o1 ZINC000661531767 411797931 /nfs/dbraw/zinc/79/79/31/411797931.db2.gz NAXIPRJCDRFCPY-JTQLQIEISA-N 1 2 207.277 1.919 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2C=CCCC2)o1 ZINC000661531767 411797934 /nfs/dbraw/zinc/79/79/34/411797934.db2.gz NAXIPRJCDRFCPY-JTQLQIEISA-N 1 2 207.277 1.919 20 0 BDADLO Cc1nccn1CC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661538425 411798264 /nfs/dbraw/zinc/79/82/64/411798264.db2.gz KBDFRDBSQNTVPP-GHMZBOCLSA-N 1 2 235.331 1.348 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@]12C[C@H]1CCC2 ZINC000663975379 411798375 /nfs/dbraw/zinc/79/83/75/411798375.db2.gz PQKREXFELLLBMU-BXKDBHETSA-N 1 2 234.303 1.162 20 0 BDADLO Cc1cc(NCc2ncc3c(n2)CCC3)nc[nH+]1 ZINC000663998106 411808353 /nfs/dbraw/zinc/80/83/53/411808353.db2.gz GRHSOPADQFHISR-UHFFFAOYSA-N 1 2 241.298 1.676 20 0 BDADLO CO[C@@H](COc1cc[nH+]cc1)[C@H]1CCOC1 ZINC000664016495 411813767 /nfs/dbraw/zinc/81/37/67/411813767.db2.gz PPKXKINAQHCPQZ-JQWIXIFHSA-N 1 2 223.272 1.512 20 0 BDADLO CCCn1ncnc1COc1cc[nH+]cc1 ZINC000664014771 411814450 /nfs/dbraw/zinc/81/44/50/411814450.db2.gz FCFSNHKHIUAHJL-UHFFFAOYSA-N 1 2 218.260 1.662 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H]2COCCO2)s1 ZINC000661610763 411815400 /nfs/dbraw/zinc/81/54/00/411815400.db2.gz GIKOCHVUAYZKBD-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H]2COCCO2)s1 ZINC000661610763 411815404 /nfs/dbraw/zinc/81/54/04/411815404.db2.gz GIKOCHVUAYZKBD-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO O=C1NCC[C@@H]1[NH+]=c1cc[nH]c2ccsc21 ZINC000664135131 411865976 /nfs/dbraw/zinc/86/59/76/411865976.db2.gz OWFYKNLBHBMQCM-VIFPVBQESA-N 1 2 233.296 1.019 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000301258782 170745547 /nfs/dbraw/zinc/74/55/47/170745547.db2.gz UNKGKCGUAAQHLZ-PSASIEDQSA-N 1 2 236.319 1.500 20 0 BDADLO C[C@@]12COC[C@H]1C[N@H+](Cc1csnn1)C2 ZINC000661706239 411849354 /nfs/dbraw/zinc/84/93/54/411849354.db2.gz YRWLBRNBISIICR-PSASIEDQSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1csnn1)C2 ZINC000661706239 411849357 /nfs/dbraw/zinc/84/93/57/411849357.db2.gz YRWLBRNBISIICR-PSASIEDQSA-N 1 2 225.317 1.006 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661720049 411859138 /nfs/dbraw/zinc/85/91/38/411859138.db2.gz GLSRLILSJDUXCX-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661720049 411859141 /nfs/dbraw/zinc/85/91/41/411859141.db2.gz GLSRLILSJDUXCX-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO COc1cc(C)nc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664127308 411862906 /nfs/dbraw/zinc/86/29/06/411862906.db2.gz NPIGHLTZODGESO-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO COc1cc(C)nc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664127308 411862909 /nfs/dbraw/zinc/86/29/09/411862909.db2.gz NPIGHLTZODGESO-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO CCc1noc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)n1 ZINC000661835227 411897636 /nfs/dbraw/zinc/89/76/36/411897636.db2.gz APPBUQPTCQFDKH-RKDXNWHRSA-N 1 2 237.303 1.025 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661855336 411905068 /nfs/dbraw/zinc/90/50/68/411905068.db2.gz CJSVVOKNPVKMPB-ZJUUUORDSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661855336 411905069 /nfs/dbraw/zinc/90/50/69/411905069.db2.gz CJSVVOKNPVKMPB-ZJUUUORDSA-N 1 2 238.335 1.366 20 0 BDADLO Cc1nc(N[C@@H](C)C2(CO)CC2)cc[nH+]1 ZINC000664272374 411907184 /nfs/dbraw/zinc/90/71/84/411907184.db2.gz OOIHVHNITGACDR-QMMMGPOBSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2c[nH+]c[nH]2)n(C)n1 ZINC000664285548 411911610 /nfs/dbraw/zinc/91/16/10/411911610.db2.gz BZWYOYDHJKGYPV-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000664285548 411911613 /nfs/dbraw/zinc/91/16/13/411911613.db2.gz BZWYOYDHJKGYPV-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO Cc1nnc(CN(C)c2nc(C)[nH+]c(C)c2C)o1 ZINC000664296724 411915388 /nfs/dbraw/zinc/91/53/88/411915388.db2.gz LLFSMRCYQGQISJ-UHFFFAOYSA-N 1 2 247.302 1.730 20 0 BDADLO CCc1nc(N(CCF)CCOC)cc(C)[nH+]1 ZINC000664306741 411918164 /nfs/dbraw/zinc/91/81/64/411918164.db2.gz WDEAAYCRFMFJGB-UHFFFAOYSA-N 1 2 241.310 1.770 20 0 BDADLO O=C1CCCC12CC[NH+](Cc1cnc[nH]1)CC2 ZINC000661957110 411920605 /nfs/dbraw/zinc/92/06/05/411920605.db2.gz DRTOLDQOCIPDKE-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO COCc1noc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661970757 411927609 /nfs/dbraw/zinc/92/76/09/411927609.db2.gz MAFKTLYPQAFFOQ-IUCAKERBSA-N 1 2 223.276 1.058 20 0 BDADLO COCc1noc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661970757 411927614 /nfs/dbraw/zinc/92/76/14/411927614.db2.gz MAFKTLYPQAFFOQ-IUCAKERBSA-N 1 2 223.276 1.058 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000664347793 411927781 /nfs/dbraw/zinc/92/77/81/411927781.db2.gz AYTGUEBVXWTJDJ-WOFXILAISA-N 1 2 249.358 1.855 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cnc[nH]1 ZINC000661981719 411935367 /nfs/dbraw/zinc/93/53/67/411935367.db2.gz SXCRLMCHDIUBGS-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cnc[nH]1 ZINC000661981719 411935370 /nfs/dbraw/zinc/93/53/70/411935370.db2.gz SXCRLMCHDIUBGS-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1c[nH]cn1 ZINC000661981719 411935374 /nfs/dbraw/zinc/93/53/74/411935374.db2.gz SXCRLMCHDIUBGS-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1c[nH]cn1 ZINC000661981719 411935376 /nfs/dbraw/zinc/93/53/76/411935376.db2.gz SXCRLMCHDIUBGS-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO CCc1cc(NCC[C@H](COC)OC)nc[nH+]1 ZINC000664166054 411876524 /nfs/dbraw/zinc/87/65/24/411876524.db2.gz NMTLBRSIGPXBRD-LLVKDONJSA-N 1 2 239.319 1.502 20 0 BDADLO Cc1nc(N[C@@H](CO)C2CCC2)cc[nH+]1 ZINC000664170136 411878267 /nfs/dbraw/zinc/87/82/67/411878267.db2.gz ALNHXFUDBNTRFF-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC3(COC3)C2)s1 ZINC000662073991 411973952 /nfs/dbraw/zinc/97/39/52/411973952.db2.gz YKFODJBZWADUOB-UHFFFAOYSA-N 1 2 239.344 1.323 20 0 BDADLO CCc1nnc(C[N@H+]2CCC3(COC3)C2)s1 ZINC000662073991 411973955 /nfs/dbraw/zinc/97/39/55/411973955.db2.gz YKFODJBZWADUOB-UHFFFAOYSA-N 1 2 239.344 1.323 20 0 BDADLO CN(C)C(=O)N(C)[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000664540711 411980754 /nfs/dbraw/zinc/98/07/54/411980754.db2.gz LYMLKFGJJNIVEB-LLVKDONJSA-N 1 2 248.330 1.274 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)OC)c1[nH]cc[nH+]1 ZINC000125325528 170881124 /nfs/dbraw/zinc/88/11/24/170881124.db2.gz NAZGWJMAYNRYCR-HTQZYQBOSA-N 1 2 211.265 1.012 20 0 BDADLO Cc1nc(NC2([C@H](C)O)CC2)c2c([nH+]1)CCCC2 ZINC000664551485 411985002 /nfs/dbraw/zinc/98/50/02/411985002.db2.gz TXXCMBHJRDDOCM-VIFPVBQESA-N 1 2 247.342 1.989 20 0 BDADLO COCc1cc(N[C@H](C)c2[nH+]ccn2C)ncn1 ZINC000664608751 411998853 /nfs/dbraw/zinc/99/88/53/411998853.db2.gz LRYMUAJTSHKEQF-SECBINFHSA-N 1 2 247.302 1.530 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1[nH+]ccn1C ZINC000664773187 412020622 /nfs/dbraw/zinc/02/06/22/412020622.db2.gz SOKLZKYYNNHWSY-ZNSHCXBVSA-N 1 2 248.330 1.579 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC2CC1(C)C2 ZINC000664693300 412010933 /nfs/dbraw/zinc/01/09/33/412010933.db2.gz VSDHKZRZYQUHBU-UHFFFAOYSA-N 1 2 229.287 1.352 20 0 BDADLO CC[C@@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000156923037 170928518 /nfs/dbraw/zinc/92/85/18/170928518.db2.gz IICNSMQNIKYENG-SECBINFHSA-N 1 2 219.288 1.770 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3COC[C@H]3C2)no1 ZINC000662029825 411944515 /nfs/dbraw/zinc/94/45/15/411944515.db2.gz BUFZWGXZGLVPAE-INTQDDNPSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]3COC[C@H]3C2)no1 ZINC000662029825 411944522 /nfs/dbraw/zinc/94/45/22/411944522.db2.gz BUFZWGXZGLVPAE-INTQDDNPSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H]2[C@H](C)O)[nH+]1 ZINC000664437709 411957707 /nfs/dbraw/zinc/95/77/07/411957707.db2.gz AGMOUJZLLPPMJQ-GZMMTYOYSA-N 1 2 246.314 1.616 20 0 BDADLO CCc1cc(N2CCC[C@@H]2[C@@H](C)O)nc(C)[nH+]1 ZINC000664440352 411958276 /nfs/dbraw/zinc/95/82/76/411958276.db2.gz UOFZDOVIQWSAJC-BXKDBHETSA-N 1 2 235.331 1.697 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833419 412028330 /nfs/dbraw/zinc/02/83/30/412028330.db2.gz LIDWRUFOCGHMHB-NEPJUHHUSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833419 412028333 /nfs/dbraw/zinc/02/83/33/412028333.db2.gz LIDWRUFOCGHMHB-NEPJUHHUSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1 ZINC000093049885 170959395 /nfs/dbraw/zinc/95/93/95/170959395.db2.gz BQPFSUVOPWRMFG-SNVBAGLBSA-N 1 2 224.329 1.459 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000093049885 170959397 /nfs/dbraw/zinc/95/93/97/170959397.db2.gz BQPFSUVOPWRMFG-SNVBAGLBSA-N 1 2 224.329 1.459 20 0 BDADLO Cc1ccncc1Cc1noc(C[NH+](C)C)n1 ZINC000664984803 412056979 /nfs/dbraw/zinc/05/69/79/412056979.db2.gz NQPQHBSXQXXKNT-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC2CC1(C)C2 ZINC000664997640 412057916 /nfs/dbraw/zinc/05/79/16/412057916.db2.gz XNUYSIIRNOYMTF-UHFFFAOYSA-N 1 2 248.330 1.597 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000125612248 171087231 /nfs/dbraw/zinc/08/72/31/171087231.db2.gz LTGHSVMFOGFOHJ-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000125612248 171087232 /nfs/dbraw/zinc/08/72/32/171087232.db2.gz LTGHSVMFOGFOHJ-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000295230729 171091681 /nfs/dbraw/zinc/09/16/81/171091681.db2.gz CUYRDIDSNVOOBQ-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000295230729 171091684 /nfs/dbraw/zinc/09/16/84/171091684.db2.gz CUYRDIDSNVOOBQ-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000271001055 171092880 /nfs/dbraw/zinc/09/28/80/171092880.db2.gz YVFLXXRYHPAACM-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000271001055 171092883 /nfs/dbraw/zinc/09/28/83/171092883.db2.gz YVFLXXRYHPAACM-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@@H]1O ZINC000340576057 171098240 /nfs/dbraw/zinc/09/82/40/171098240.db2.gz XIAFQIYYJMFVMH-MNOVXSKESA-N 1 2 235.331 1.807 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1c(C)noc1C ZINC000115573463 171105239 /nfs/dbraw/zinc/10/52/39/171105239.db2.gz RNFSHCMKXPGHMV-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1c(C)noc1C ZINC000115573463 171105243 /nfs/dbraw/zinc/10/52/43/171105243.db2.gz RNFSHCMKXPGHMV-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnc(C)cn1 ZINC000336705439 171106731 /nfs/dbraw/zinc/10/67/31/171106731.db2.gz QKNBVAYFLCNSNF-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnc(C)cn1 ZINC000336705439 171106734 /nfs/dbraw/zinc/10/67/34/171106734.db2.gz QKNBVAYFLCNSNF-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373835422 171139772 /nfs/dbraw/zinc/13/97/72/171139772.db2.gz KYKZPRZBHIMZKA-GMTAPVOTSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1c1[nH+]cnc2c1cnn2C ZINC000185928153 171161507 /nfs/dbraw/zinc/16/15/07/171161507.db2.gz GGHPLVQZJBWUGG-MWLCHTKSSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@@](C)([NH2+]CCc1ccccn1)C(=O)OC ZINC000299734048 171176249 /nfs/dbraw/zinc/17/62/49/171176249.db2.gz ZGQPGHVCTXASND-CYBMUJFWSA-N 1 2 236.315 1.555 20 0 BDADLO CC[C@@](C)(O)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119645263 171181609 /nfs/dbraw/zinc/18/16/09/171181609.db2.gz IQKVOQGINVXXKJ-GFCCVEGCSA-N 1 2 237.303 1.673 20 0 BDADLO CC[C@@](C)(OC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280001432 171190570 /nfs/dbraw/zinc/19/05/70/171190570.db2.gz HTVKVAMASZDRAM-ZYHUDNBSSA-N 1 2 239.319 1.203 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000336580786 171202873 /nfs/dbraw/zinc/20/28/73/171202873.db2.gz INPPHIJQDODJPG-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000336580786 171202876 /nfs/dbraw/zinc/20/28/76/171202876.db2.gz INPPHIJQDODJPG-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NCC1CC1 ZINC000340890871 171204169 /nfs/dbraw/zinc/20/41/69/171204169.db2.gz RMZOQBXEDTVUOS-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NCC1CC1 ZINC000340890871 171204173 /nfs/dbraw/zinc/20/41/73/171204173.db2.gz RMZOQBXEDTVUOS-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000331838349 171207951 /nfs/dbraw/zinc/20/79/51/171207951.db2.gz FRSBBYFUQLSRMR-CABZTGNLSA-N 1 2 221.304 1.771 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000332055157 171221464 /nfs/dbraw/zinc/22/14/64/171221464.db2.gz WZHUESKIJSISIH-IQMYEBEASA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000332055157 171221467 /nfs/dbraw/zinc/22/14/67/171221467.db2.gz WZHUESKIJSISIH-IQMYEBEASA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265854114 171251403 /nfs/dbraw/zinc/25/14/03/171251403.db2.gz VHMGLFXBCNNCDU-MNOVXSKESA-N 1 2 223.320 1.682 20 0 BDADLO CC[C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355137799 171253773 /nfs/dbraw/zinc/25/37/73/171253773.db2.gz HMIVXFRRFCADNU-QJPTWQEYSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000353284160 171267294 /nfs/dbraw/zinc/26/72/94/171267294.db2.gz STXJRHYLSUCACM-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CC[C@H](C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000353284160 171267295 /nfs/dbraw/zinc/26/72/95/171267295.db2.gz STXJRHYLSUCACM-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cnn(C)c1 ZINC000281393500 171312008 /nfs/dbraw/zinc/31/20/08/171312008.db2.gz XBDSPHKVYGPKRP-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cnn(C)c1 ZINC000281393500 171312011 /nfs/dbraw/zinc/31/20/11/171312011.db2.gz XBDSPHKVYGPKRP-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000178024517 171323830 /nfs/dbraw/zinc/32/38/30/171323830.db2.gz QTLOSORCWVCVHL-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000178024517 171323832 /nfs/dbraw/zinc/32/38/32/171323832.db2.gz QTLOSORCWVCVHL-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO CC[C@H](C)NC(=O)COc1cc[nH+]cc1 ZINC000292501079 171327723 /nfs/dbraw/zinc/32/77/23/171327723.db2.gz SNWPHOXHZHRODF-VIFPVBQESA-N 1 2 208.261 1.375 20 0 BDADLO CC[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000057893681 171337539 /nfs/dbraw/zinc/33/75/39/171337539.db2.gz CQXWSJUEEXUWTP-VIFPVBQESA-N 1 2 217.272 1.863 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000356545170 171359290 /nfs/dbraw/zinc/35/92/90/171359290.db2.gz GDXVLOKTGOIJDI-DTWKUNHWSA-N 1 2 222.288 1.830 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000356606377 171360344 /nfs/dbraw/zinc/36/03/44/171360344.db2.gz ZACQZPMCFZDEHQ-DTWKUNHWSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000356606377 171360345 /nfs/dbraw/zinc/36/03/45/171360345.db2.gz ZACQZPMCFZDEHQ-DTWKUNHWSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000050268787 171374608 /nfs/dbraw/zinc/37/46/08/171374608.db2.gz IEFGPZRFERERFD-SDDRHHMPSA-N 1 2 241.331 1.856 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000264817662 171378303 /nfs/dbraw/zinc/37/83/03/171378303.db2.gz QCQBLEZXVLHZPI-WPRPVWTQSA-N 1 2 249.318 1.182 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364399457 171387300 /nfs/dbraw/zinc/38/73/00/171387300.db2.gz JGYLBGAACKBOJG-SDDRHHMPSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OC ZINC000128133716 171399745 /nfs/dbraw/zinc/39/97/45/171399745.db2.gz NPSYWBPXQLYPHR-BJDJZHNGSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCc1[nH]c[nH+]c1C ZINC000331079724 171406078 /nfs/dbraw/zinc/40/60/78/171406078.db2.gz XFJJOQJNOLEYJC-KWQFWETISA-N 1 2 239.319 1.395 20 0 BDADLO CCc1nocc1C(=O)NCCCn1cc[nH+]c1 ZINC000665106179 412096279 /nfs/dbraw/zinc/09/62/79/412096279.db2.gz KCMMVGHFZWJSPM-UHFFFAOYSA-N 1 2 248.286 1.254 20 0 BDADLO CC12CC(C1)C[N@@H+]2Cc1noc(C2CC2)n1 ZINC000662382300 412134443 /nfs/dbraw/zinc/13/44/43/412134443.db2.gz QKFZZBJFIMAVSN-UHFFFAOYSA-N 1 2 219.288 1.931 20 0 BDADLO CC12CC(C1)C[N@H+]2Cc1noc(C2CC2)n1 ZINC000662382300 412134447 /nfs/dbraw/zinc/13/44/47/412134447.db2.gz QKFZZBJFIMAVSN-UHFFFAOYSA-N 1 2 219.288 1.931 20 0 BDADLO CC12CC(C1)C[N@@H+]2Cc1ncnn1CCF ZINC000662385024 412135895 /nfs/dbraw/zinc/13/58/95/412135895.db2.gz GFUBGFAZLXHTCT-UHFFFAOYSA-N 1 2 224.283 1.232 20 0 BDADLO CC12CC(C1)C[N@H+]2Cc1ncnn1CCF ZINC000662385024 412135897 /nfs/dbraw/zinc/13/58/97/412135897.db2.gz GFUBGFAZLXHTCT-UHFFFAOYSA-N 1 2 224.283 1.232 20 0 BDADLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1nccs1 ZINC000662383393 412136320 /nfs/dbraw/zinc/13/63/20/412136320.db2.gz ZRUQVLHSYSIFPM-UHFFFAOYSA-N 1 2 237.328 1.566 20 0 BDADLO CC12CC(C1)C[N@H+]2CC(=O)Nc1nccs1 ZINC000662383393 412136321 /nfs/dbraw/zinc/13/63/21/412136321.db2.gz ZRUQVLHSYSIFPM-UHFFFAOYSA-N 1 2 237.328 1.566 20 0 BDADLO CC(C)n1nccc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000662411273 412155794 /nfs/dbraw/zinc/15/57/94/412155794.db2.gz IFEDPGRYLUPNPR-UHFFFAOYSA-N 1 2 245.286 1.694 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc(CC2CC2)[nH]n1 ZINC000636365170 412325424 /nfs/dbraw/zinc/32/54/24/412325424.db2.gz YRBXRAVYNDKYOE-UHFFFAOYSA-N 1 2 245.286 1.197 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC1(C)C ZINC000665474282 412332809 /nfs/dbraw/zinc/33/28/09/412332809.db2.gz YJCGGHJSBZZNJP-JTQLQIEISA-N 1 2 235.331 1.815 20 0 BDADLO CCc1cc(N)nc(SCc2cnn(C)c2)[nH+]1 ZINC000279071640 171761893 /nfs/dbraw/zinc/76/18/93/171761893.db2.gz KFENFYWTFPJDJJ-UHFFFAOYSA-N 1 2 249.343 1.647 20 0 BDADLO CC12CC(C1)CN2C(=O)NCCCn1cc[nH+]c1 ZINC000663240639 412398986 /nfs/dbraw/zinc/39/89/86/412398986.db2.gz CUNRQCPPILGCCW-UHFFFAOYSA-N 1 2 248.330 1.467 20 0 BDADLO CCc1nnc(CNc2cc[nH+]c(C3CC3)n2)[nH]1 ZINC000295035589 171989991 /nfs/dbraw/zinc/98/99/91/171989991.db2.gz WLZPVWIMDHQRQB-UHFFFAOYSA-N 1 2 244.302 1.647 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2conc2C)[nH]1 ZINC000293163412 172002755 /nfs/dbraw/zinc/00/27/55/172002755.db2.gz FTFLCZOFALHKLU-MRVPVSSYSA-N 1 2 235.291 1.514 20 0 BDADLO CCc1nc([C@H]2CCCC[N@@H+]2CCOC)no1 ZINC000375773930 172007422 /nfs/dbraw/zinc/00/74/22/172007422.db2.gz OGCUECLYXVPGAL-SNVBAGLBSA-N 1 2 239.319 1.805 20 0 BDADLO CCc1nc([C@H]2CCCC[N@H+]2CCOC)no1 ZINC000375773930 172007423 /nfs/dbraw/zinc/00/74/23/172007423.db2.gz OGCUECLYXVPGAL-SNVBAGLBSA-N 1 2 239.319 1.805 20 0 BDADLO CCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000333293025 172008395 /nfs/dbraw/zinc/00/83/95/172008395.db2.gz ASUXQWAHLZGTRW-VHSXEESVSA-N 1 2 237.303 1.558 20 0 BDADLO CCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000333293025 172008397 /nfs/dbraw/zinc/00/83/97/172008397.db2.gz ASUXQWAHLZGTRW-VHSXEESVSA-N 1 2 237.303 1.558 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@H+](C)CCOC ZINC000127104517 172038246 /nfs/dbraw/zinc/03/82/46/172038246.db2.gz GOQVNGQXYCVZIC-UHFFFAOYSA-N 1 2 245.754 1.714 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)CCOC ZINC000127104517 172038249 /nfs/dbraw/zinc/03/82/49/172038249.db2.gz GOQVNGQXYCVZIC-UHFFFAOYSA-N 1 2 245.754 1.714 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@@H]2CCOC2)o1 ZINC000336684630 172047823 /nfs/dbraw/zinc/04/78/23/172047823.db2.gz ZWNUDDRFRJKRSZ-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@@H]2CCOC2)o1 ZINC000336684630 172047824 /nfs/dbraw/zinc/04/78/24/172047824.db2.gz ZWNUDDRFRJKRSZ-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc([C@@H]2C[N@H+](CCCF)CCO2)o1 ZINC000331338076 172065375 /nfs/dbraw/zinc/06/53/75/172065375.db2.gz VVANROIEXZAQFO-VIFPVBQESA-N 1 2 243.282 1.365 20 0 BDADLO CCc1nnc([C@@H]2C[N@@H+](CCCF)CCO2)o1 ZINC000331338076 172065380 /nfs/dbraw/zinc/06/53/80/172065380.db2.gz VVANROIEXZAQFO-VIFPVBQESA-N 1 2 243.282 1.365 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](CC)CCO)o1 ZINC000305192590 172066406 /nfs/dbraw/zinc/06/64/06/172066406.db2.gz KJYSUNXNWSKBRL-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](CC)CCO)o1 ZINC000305192590 172066408 /nfs/dbraw/zinc/06/64/08/172066408.db2.gz KJYSUNXNWSKBRL-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000336518469 172076043 /nfs/dbraw/zinc/07/60/43/172076043.db2.gz LTKSPOIAEJNTOO-VIFPVBQESA-N 1 2 236.315 1.956 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000336518469 172076047 /nfs/dbraw/zinc/07/60/47/172076047.db2.gz LTKSPOIAEJNTOO-VIFPVBQESA-N 1 2 236.315 1.956 20 0 BDADLO CCc1noc(C)c1C[NH+]1CCN(C)CC1 ZINC000161956334 172078013 /nfs/dbraw/zinc/07/80/13/172078013.db2.gz KPEVTOAJFOUCSF-UHFFFAOYSA-N 1 2 223.320 1.293 20 0 BDADLO CCc1nocc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000353364525 172098937 /nfs/dbraw/zinc/09/89/37/172098937.db2.gz NXBUCPPILBJQNX-LLVKDONJSA-N 1 2 228.267 1.143 20 0 BDADLO CCc1nocc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000353364525 172098938 /nfs/dbraw/zinc/09/89/38/172098938.db2.gz NXBUCPPILBJQNX-LLVKDONJSA-N 1 2 228.267 1.143 20 0 BDADLO CCc1ocnc1C(=O)NCCCn1cc[nH+]c1 ZINC000265709934 172122601 /nfs/dbraw/zinc/12/26/01/172122601.db2.gz ICSFWDPUHBGDKC-UHFFFAOYSA-N 1 2 248.286 1.254 20 0 BDADLO CCn1c(C)nnc1SCCn1cc[nH+]c1 ZINC000121908699 172142512 /nfs/dbraw/zinc/14/25/12/172142512.db2.gz MMDZPDHTCKPUHI-UHFFFAOYSA-N 1 2 237.332 1.595 20 0 BDADLO CCn1cc(C[N@H+](CCO)Cc2ccco2)cn1 ZINC000355547563 172161566 /nfs/dbraw/zinc/16/15/66/172161566.db2.gz MCRWIGBPVFKHMP-UHFFFAOYSA-N 1 2 249.314 1.491 20 0 BDADLO CCn1cc(C[N@@H+](CCO)Cc2ccco2)cn1 ZINC000355547563 172161569 /nfs/dbraw/zinc/16/15/69/172161569.db2.gz MCRWIGBPVFKHMP-UHFFFAOYSA-N 1 2 249.314 1.491 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC[C@@]2(C)CC)cn1 ZINC000361150962 172165741 /nfs/dbraw/zinc/16/57/41/172165741.db2.gz CTISBLRRVLNJTB-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc(C[N@H+]2CCOC[C@@]2(C)CC)cn1 ZINC000361150962 172165742 /nfs/dbraw/zinc/16/57/42/172165742.db2.gz CTISBLRRVLNJTB-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000091810209 172166095 /nfs/dbraw/zinc/16/60/95/172166095.db2.gz JYZVZNLICSQKFJ-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000091810209 172166098 /nfs/dbraw/zinc/16/60/98/172166098.db2.gz JYZVZNLICSQKFJ-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2nccn2C)cn1 ZINC000353970748 172173458 /nfs/dbraw/zinc/17/34/58/172173458.db2.gz FIGMMAAISREPQY-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376136387 172219675 /nfs/dbraw/zinc/21/96/75/172219675.db2.gz VTQFFMXSANHKSB-VXGBXAGGSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376136387 172219680 /nfs/dbraw/zinc/21/96/80/172219680.db2.gz VTQFFMXSANHKSB-VXGBXAGGSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC1(C)C ZINC000296455761 172222149 /nfs/dbraw/zinc/22/21/49/172222149.db2.gz VUZHZZCAPDOIPD-SECBINFHSA-N 1 2 236.319 1.501 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1C[C@H](C)[C@H]1C ZINC000298091685 172222382 /nfs/dbraw/zinc/22/23/82/172222382.db2.gz LPHXLVQFRMWSRO-VHSXEESVSA-N 1 2 236.319 1.453 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccc(C)n1C ZINC000295835693 172222522 /nfs/dbraw/zinc/22/25/22/172222522.db2.gz VFGCAUJYNZWJJH-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000336695390 172223633 /nfs/dbraw/zinc/22/36/33/172223633.db2.gz IQOFBORCCDKGPB-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC ZINC000280301718 172230465 /nfs/dbraw/zinc/23/04/65/172230465.db2.gz BJGYYSVEBILKRF-SNVBAGLBSA-N 1 2 236.319 1.769 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccc(F)cc1 ZINC000218230872 172236971 /nfs/dbraw/zinc/23/69/71/172236971.db2.gz CXBASVYDMJEIQP-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1nccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000352368052 172264333 /nfs/dbraw/zinc/26/43/33/172264333.db2.gz DPGQIOSIPFIHAQ-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000289875140 172266924 /nfs/dbraw/zinc/26/69/24/172266924.db2.gz RQTBGTOTOUQDRZ-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000289875140 172266925 /nfs/dbraw/zinc/26/69/25/172266925.db2.gz RQTBGTOTOUQDRZ-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cc(C)no1 ZINC000119083111 172270223 /nfs/dbraw/zinc/27/02/23/172270223.db2.gz MJMQCWYSQUJUCY-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1nccc1CNc1ccc(N(C)C)[nH+]c1 ZINC000119601284 172274146 /nfs/dbraw/zinc/27/41/46/172274146.db2.gz IHQGXEWVUQHPMS-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCn1ncnc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000365884208 172278482 /nfs/dbraw/zinc/27/84/82/172278482.db2.gz SJOAEASDVLIVMX-SNVBAGLBSA-N 1 2 246.318 1.358 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367458064 172278718 /nfs/dbraw/zinc/27/87/18/172278718.db2.gz IYXPXXVBSGRTHZ-GFCCVEGCSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@]12CCOC2 ZINC000367458064 172278719 /nfs/dbraw/zinc/27/87/19/172278719.db2.gz IYXPXXVBSGRTHZ-GFCCVEGCSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000355582993 172281617 /nfs/dbraw/zinc/28/16/17/172281617.db2.gz MZDRERRUZKMXSP-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000276553029 172293741 /nfs/dbraw/zinc/29/37/41/172293741.db2.gz HYWAZFRZIHMLJW-AATRIKPKSA-N 1 2 205.261 1.434 20 0 BDADLO CN(C(=O)N1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000336007396 172318593 /nfs/dbraw/zinc/31/85/93/172318593.db2.gz ROXXSXCWQINHIR-UHFFFAOYSA-N 1 2 248.330 1.693 20 0 BDADLO CN(C)c1ccc(CNc2ncc(F)cn2)c[nH+]1 ZINC000269467173 172554474 /nfs/dbraw/zinc/55/44/74/172554474.db2.gz IJJRVBJMSCZVTH-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO CN(CC(C)(C)C)C(=O)CCn1cc[nH+]c1 ZINC000263738239 172620928 /nfs/dbraw/zinc/62/09/28/172620928.db2.gz AQYAMYQAHIRLQY-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)NC(C)(C)C ZINC000134743090 172720838 /nfs/dbraw/zinc/72/08/38/172720838.db2.gz FDMBJPLEWUAOLS-UHFFFAOYSA-N 1 2 238.335 1.713 20 0 BDADLO CN(c1cc[nH+]c2ccncc21)[C@@H]1CCC[C@H]1O ZINC000286433578 172951778 /nfs/dbraw/zinc/95/17/78/172951778.db2.gz RZKDVLOKJULLJG-ZIAGYGMSSA-N 1 2 243.310 1.979 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CCc3c(F)cccc3C2)C1=O ZINC000152812228 173122364 /nfs/dbraw/zinc/12/23/64/173122364.db2.gz NRXNVJXBTIVSFA-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@@H]([N@H+]2CCc3c(F)cccc3C2)C1=O ZINC000152812228 173122366 /nfs/dbraw/zinc/12/23/66/173122366.db2.gz NRXNVJXBTIVSFA-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO CNC(=O)C1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000274819456 173226896 /nfs/dbraw/zinc/22/68/96/173226896.db2.gz GSHSHXLWNYFTDM-UHFFFAOYSA-N 1 2 240.253 1.143 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(Cl)cc1F ZINC000264468531 173269918 /nfs/dbraw/zinc/26/99/18/173269918.db2.gz UFZOCUZWAPCFHH-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000264468531 173269920 /nfs/dbraw/zinc/26/99/20/173269920.db2.gz UFZOCUZWAPCFHH-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042722780 173279979 /nfs/dbraw/zinc/27/99/79/173279979.db2.gz ICWBZHBPZAICCO-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO CNC(=O)CSCc1ccc(C)[nH+]c1C ZINC000358663200 173280041 /nfs/dbraw/zinc/28/00/41/173280041.db2.gz QPALGQVZGGCSCF-UHFFFAOYSA-N 1 2 224.329 1.678 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000135026178 173297852 /nfs/dbraw/zinc/29/78/52/173297852.db2.gz IXKFKFNVMJVKBO-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC000135026178 173297853 /nfs/dbraw/zinc/29/78/53/173297853.db2.gz IXKFKFNVMJVKBO-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nc(C)cs1 ZINC000081668385 173307078 /nfs/dbraw/zinc/30/70/78/173307078.db2.gz DLGPMAXXCSDDDC-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nc(C)cs1 ZINC000081668385 173307079 /nfs/dbraw/zinc/30/70/79/173307079.db2.gz DLGPMAXXCSDDDC-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccc(OC)cc2)n1 ZINC000051848468 173399795 /nfs/dbraw/zinc/39/97/95/173399795.db2.gz YVCNHLIOYLCBPU-UHFFFAOYSA-N 1 2 247.298 1.583 20 0 BDADLO C[NH2+]Cc1noc([C@H](C)c2ccccc2)n1 ZINC000234449529 173399862 /nfs/dbraw/zinc/39/98/62/173399862.db2.gz PLDFDQGDLWPRRK-SECBINFHSA-N 1 2 217.272 1.941 20 0 BDADLO COC(=O)C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000119878674 173582065 /nfs/dbraw/zinc/58/20/65/173582065.db2.gz TVBBASQJWGUYED-ZDUSSCGKSA-N 1 2 249.310 1.141 20 0 BDADLO COC(=O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000119878674 173582066 /nfs/dbraw/zinc/58/20/66/173582066.db2.gz TVBBASQJWGUYED-ZDUSSCGKSA-N 1 2 249.310 1.141 20 0 BDADLO COC1(CNC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000272534845 174000084 /nfs/dbraw/zinc/00/00/84/174000084.db2.gz NTBRWCUUAULGFX-UHFFFAOYSA-N 1 2 223.276 1.017 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(F)cc2C)C1 ZINC000297415792 174113733 /nfs/dbraw/zinc/11/37/33/174113733.db2.gz MYFXTLGOMKIZFH-UHFFFAOYSA-N 1 2 239.290 1.327 20 0 BDADLO COCC1(O)C[NH+](Cc2ccccc2Cl)C1 ZINC000297293204 174113861 /nfs/dbraw/zinc/11/38/61/174113861.db2.gz BBZCKTJGIGXTDM-UHFFFAOYSA-N 1 2 241.718 1.533 20 0 BDADLO COCC1=CC[N@H+](Cc2nc(C)no2)CC1 ZINC000275044239 174117545 /nfs/dbraw/zinc/11/75/45/174117545.db2.gz YPHQVEYZLIWJLX-UHFFFAOYSA-N 1 2 223.276 1.157 20 0 BDADLO COCC1=CC[N@@H+](Cc2nc(C)no2)CC1 ZINC000275044239 174117547 /nfs/dbraw/zinc/11/75/47/174117547.db2.gz YPHQVEYZLIWJLX-UHFFFAOYSA-N 1 2 223.276 1.157 20 0 BDADLO COCCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000171267053 174136007 /nfs/dbraw/zinc/13/60/07/174136007.db2.gz BAQZAGZBVCRFIS-UHFFFAOYSA-N 1 2 246.270 1.242 20 0 BDADLO COCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263942305 174138117 /nfs/dbraw/zinc/13/81/17/174138117.db2.gz XJLLXTPGEJDGJD-UHFFFAOYSA-N 1 2 233.271 1.618 20 0 BDADLO COCCC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000292983334 174150863 /nfs/dbraw/zinc/15/08/63/174150863.db2.gz JQTAWYHEFVLDCY-ONEGZZNKSA-N 1 2 249.314 1.308 20 0 BDADLO COCCC1(C(=O)Nc2ccc(N)[nH+]c2)CCC1 ZINC000237163059 174151589 /nfs/dbraw/zinc/15/15/89/174151589.db2.gz LUMZLGIYOXWEDO-UHFFFAOYSA-N 1 2 249.314 1.809 20 0 BDADLO COCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374499733 174160123 /nfs/dbraw/zinc/16/01/23/174160123.db2.gz DHCLPHXPIMKYAC-SNVBAGLBSA-N 1 2 237.303 1.500 20 0 BDADLO COCCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299395485 174173567 /nfs/dbraw/zinc/17/35/67/174173567.db2.gz UVYZPFQJGIYMBX-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO COCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366694149 174189809 /nfs/dbraw/zinc/18/98/09/174189809.db2.gz VQHARJHSMMUCRX-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO COCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366694149 174189812 /nfs/dbraw/zinc/18/98/12/174189812.db2.gz VQHARJHSMMUCRX-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO COCCCCSc1nc(N)cc(C)[nH+]1 ZINC000114097007 174208394 /nfs/dbraw/zinc/20/83/94/174208394.db2.gz TYIDMELHSQAOMI-UHFFFAOYSA-N 1 2 227.333 1.886 20 0 BDADLO COCCCN(CCO)c1[nH]c2ccccc2[nH+]1 ZINC000188442943 174224213 /nfs/dbraw/zinc/22/42/13/174224213.db2.gz NPEGKCZGNUIDQN-UHFFFAOYSA-N 1 2 249.314 1.398 20 0 BDADLO COCCCN(CCOC)c1cc(C)[nH+]cn1 ZINC000112553276 174226845 /nfs/dbraw/zinc/22/68/45/174226845.db2.gz SWEODWALMJVOBZ-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COCCCOC1C[NH+](Cc2cccnc2)C1 ZINC000358781499 174252727 /nfs/dbraw/zinc/25/27/27/174252727.db2.gz OKYNHOPAHKFKEV-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO COCCCOCC(=O)Nc1cc[nH+]cc1C ZINC000180527417 174254425 /nfs/dbraw/zinc/25/44/25/174254425.db2.gz CDYIRHDPHZGQIV-UHFFFAOYSA-N 1 2 238.287 1.382 20 0 BDADLO COCC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000122890805 174274797 /nfs/dbraw/zinc/27/47/97/174274797.db2.gz NRJNCLZWNNVIIN-UHFFFAOYSA-N 1 2 240.278 1.342 20 0 BDADLO COCC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000122890805 174274799 /nfs/dbraw/zinc/27/47/99/174274799.db2.gz NRJNCLZWNNVIIN-UHFFFAOYSA-N 1 2 240.278 1.342 20 0 BDADLO COCCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301900370 174283870 /nfs/dbraw/zinc/28/38/70/174283870.db2.gz YZQWRARGRPWGLQ-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO COCCN(Cc1ccnn1C)c1cccc[nH+]1 ZINC000362837127 174301161 /nfs/dbraw/zinc/30/11/61/174301161.db2.gz AIQASUVLPNKLQE-UHFFFAOYSA-N 1 2 246.314 1.468 20 0 BDADLO COCCN(Cc1c[nH+]cn1C)CC(F)F ZINC000177047697 174301464 /nfs/dbraw/zinc/30/14/64/174301464.db2.gz UTNFVCAOSMZXHJ-UHFFFAOYSA-N 1 2 233.262 1.134 20 0 BDADLO COCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000369258989 174304797 /nfs/dbraw/zinc/30/47/97/174304797.db2.gz MWJMDYIPQKBXDD-SNVBAGLBSA-N 1 2 225.292 1.551 20 0 BDADLO COCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000369258989 174304798 /nfs/dbraw/zinc/30/47/98/174304798.db2.gz MWJMDYIPQKBXDD-SNVBAGLBSA-N 1 2 225.292 1.551 20 0 BDADLO COCC[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000353541179 174305758 /nfs/dbraw/zinc/30/57/58/174305758.db2.gz HHYGQEDLZVDKEP-JTQLQIEISA-N 1 2 225.292 1.551 20 0 BDADLO COCC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000353541179 174305760 /nfs/dbraw/zinc/30/57/60/174305760.db2.gz HHYGQEDLZVDKEP-JTQLQIEISA-N 1 2 225.292 1.551 20 0 BDADLO COCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000070162355 174336906 /nfs/dbraw/zinc/33/69/06/174336906.db2.gz RHTOUSOJEOAVIK-UHFFFAOYSA-N 1 2 213.281 1.103 20 0 BDADLO COCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000358947299 174337782 /nfs/dbraw/zinc/33/77/82/174337782.db2.gz SOLTVXAAJKXJML-NSHDSACASA-N 1 2 232.287 1.130 20 0 BDADLO COCCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000368612622 174358784 /nfs/dbraw/zinc/35/87/84/174358784.db2.gz HQYMXVFSWSJHBQ-LLVKDONJSA-N 1 2 239.319 1.040 20 0 BDADLO COCCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000368612623 174359667 /nfs/dbraw/zinc/35/96/67/174359667.db2.gz HQYMXVFSWSJHBQ-NSHDSACASA-N 1 2 239.319 1.040 20 0 BDADLO COCCO[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000189706190 174365661 /nfs/dbraw/zinc/36/56/61/174365661.db2.gz MKHFNKVIQLBZTK-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCCO[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000189706190 174365662 /nfs/dbraw/zinc/36/56/62/174365662.db2.gz MKHFNKVIQLBZTK-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000291303711 174398927 /nfs/dbraw/zinc/39/89/27/174398927.db2.gz QYNLMXFSDKIXNN-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1cccnc1 ZINC000291303711 174398928 /nfs/dbraw/zinc/39/89/28/174398928.db2.gz QYNLMXFSDKIXNN-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COC[C@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000361613059 174579984 /nfs/dbraw/zinc/57/99/84/174579984.db2.gz WQDAXHGOKOPOBK-LBPRGKRZSA-N 1 2 243.347 1.734 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263873542 174807744 /nfs/dbraw/zinc/80/77/44/174807744.db2.gz UOWKGKWJXBIPAJ-SECBINFHSA-N 1 2 233.271 1.616 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(F)c1 ZINC000114335913 175060941 /nfs/dbraw/zinc/06/09/41/175060941.db2.gz PSQPHCZBFMDSES-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368327168 175100861 /nfs/dbraw/zinc/10/08/61/175100861.db2.gz FOKRDXSNCPKLGD-OLZOCXBDSA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368327168 175100862 /nfs/dbraw/zinc/10/08/62/175100862.db2.gz FOKRDXSNCPKLGD-OLZOCXBDSA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)nn1 ZINC000283419062 175101049 /nfs/dbraw/zinc/10/10/49/175101049.db2.gz FSSRGCCZKGTCIV-RYUDHWBXSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)nn1 ZINC000283419062 175101050 /nfs/dbraw/zinc/10/10/50/175101050.db2.gz FSSRGCCZKGTCIV-RYUDHWBXSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000372469560 175101958 /nfs/dbraw/zinc/10/19/58/175101958.db2.gz YQVPAIXWUACEGK-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000372469560 175101960 /nfs/dbraw/zinc/10/19/60/175101960.db2.gz YQVPAIXWUACEGK-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[NH2+]Cc2cscn2)cn1 ZINC000040504090 175108258 /nfs/dbraw/zinc/10/82/58/175108258.db2.gz WRWATOCTENTASD-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090970177 175177365 /nfs/dbraw/zinc/17/73/65/175177365.db2.gz IKSBRZPTAYIZOL-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1cccc(C[NH+]2CCC(=O)CC2)c1 ZINC000087555562 175257452 /nfs/dbraw/zinc/25/74/52/175257452.db2.gz JKWQJPKVFRHUDD-UHFFFAOYSA-N 1 2 219.284 1.860 20 0 BDADLO COc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000172006857 175261009 /nfs/dbraw/zinc/26/10/09/175261009.db2.gz NZLCHMRDSIBPGL-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000172006855 175261763 /nfs/dbraw/zinc/26/17/63/175261763.db2.gz NZLCHMRDSIBPGL-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000172006855 175261765 /nfs/dbraw/zinc/26/17/65/175261765.db2.gz NZLCHMRDSIBPGL-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282671039 175325931 /nfs/dbraw/zinc/32/59/31/175325931.db2.gz HPQOKBYSRFFJCY-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282671039 175325932 /nfs/dbraw/zinc/32/59/32/175325932.db2.gz HPQOKBYSRFFJCY-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366560098 175327654 /nfs/dbraw/zinc/32/76/54/175327654.db2.gz OTDJJEYFEPQBRM-WCQYABFASA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366560098 175327656 /nfs/dbraw/zinc/32/76/56/175327656.db2.gz OTDJJEYFEPQBRM-WCQYABFASA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1nnnn1C ZINC000341070642 175351950 /nfs/dbraw/zinc/35/19/50/175351950.db2.gz QCDCRKOUDOXBDW-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccnc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000124353347 175366996 /nfs/dbraw/zinc/36/69/96/175366996.db2.gz GCNQPRLUJNZQMT-VIFPVBQESA-N 1 2 233.275 1.182 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000287357402 175370321 /nfs/dbraw/zinc/37/03/21/175370321.db2.gz PMOYHGZZZNXXBF-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000287357402 175370323 /nfs/dbraw/zinc/37/03/23/175370323.db2.gz PMOYHGZZZNXXBF-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000287853249 175370680 /nfs/dbraw/zinc/37/06/80/175370680.db2.gz RHHBYUVTKAXDMR-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000287853249 175370682 /nfs/dbraw/zinc/37/06/82/175370682.db2.gz RHHBYUVTKAXDMR-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CC1CCC1 ZINC000293384460 175370833 /nfs/dbraw/zinc/37/08/33/175370833.db2.gz OJUHTUYFAXSGSZ-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO COc1ccncc1CNCc1[nH+]cc(C)n1C ZINC000353610111 175371193 /nfs/dbraw/zinc/37/11/93/175371193.db2.gz RYFUDAYSRMWMHQ-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1ccncc1C[NH2+][C@@H](C)c1cnccn1 ZINC000340403808 175372358 /nfs/dbraw/zinc/37/23/58/175372358.db2.gz ROIGPSALZPUXEX-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC000293278726 175372507 /nfs/dbraw/zinc/37/25/07/175372507.db2.gz GWXSQYDWJQGBRR-RYUDHWBXSA-N 1 2 248.326 1.999 20 0 BDADLO COc1ccncc1C[NH2+]Cc1ccccn1 ZINC000336718026 175372549 /nfs/dbraw/zinc/37/25/49/175372549.db2.gz UWQIOGSEZKCBAM-UHFFFAOYSA-N 1 2 229.283 1.775 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](OC)C(C)C ZINC000361684489 175374374 /nfs/dbraw/zinc/37/43/74/175374374.db2.gz BIIMRDTUGWSCNF-LLVKDONJSA-N 1 2 238.287 1.700 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1nc(C)oc1C ZINC000293373587 175375995 /nfs/dbraw/zinc/37/59/95/175375995.db2.gz JIDXTHJVOCFKSD-UHFFFAOYSA-N 1 2 247.254 1.947 20 0 BDADLO COc1cc[nH+]cc1NCc1ccc(CO)o1 ZINC000119159683 175376193 /nfs/dbraw/zinc/37/61/93/175376193.db2.gz AQPFKDYZBFKZQI-UHFFFAOYSA-N 1 2 234.255 1.788 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000295729579 175385410 /nfs/dbraw/zinc/38/54/10/175385410.db2.gz OSXNISVUXZZTOQ-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000295729579 175385412 /nfs/dbraw/zinc/38/54/12/175385412.db2.gz OSXNISVUXZZTOQ-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO C[C@@H](O)[C@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000035660526 175995785 /nfs/dbraw/zinc/99/57/85/175995785.db2.gz CVUIQGXVJYODPG-MUWHJKNJSA-N 1 2 237.234 1.256 20 0 BDADLO C[C@@H](c1cccc(NC(N)=O)c1)[NH+]1CCOCC1 ZINC000264191489 176018231 /nfs/dbraw/zinc/01/82/31/176018231.db2.gz BWPWZPXWSLMFSA-JTQLQIEISA-N 1 2 249.314 1.570 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cnnn1C ZINC000093315279 176019267 /nfs/dbraw/zinc/01/92/67/176019267.db2.gz OTRKSNDLZMYBMA-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cnnn1C ZINC000093315279 176019269 /nfs/dbraw/zinc/01/92/69/176019269.db2.gz OTRKSNDLZMYBMA-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558487 176030295 /nfs/dbraw/zinc/03/02/95/176030295.db2.gz PPGJGASVMVYNKH-CMPLNLGQSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370558487 176030297 /nfs/dbraw/zinc/03/02/97/176030297.db2.gz PPGJGASVMVYNKH-CMPLNLGQSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362573370 176037452 /nfs/dbraw/zinc/03/74/52/176037452.db2.gz RTGBTACYXJPHPJ-GWCFXTLKSA-N 1 2 233.315 1.648 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362573370 176037455 /nfs/dbraw/zinc/03/74/55/176037455.db2.gz RTGBTACYXJPHPJ-GWCFXTLKSA-N 1 2 233.315 1.648 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339572587 176040460 /nfs/dbraw/zinc/04/04/60/176040460.db2.gz XQBYUANJRNKJQJ-VGMNWLOBSA-N 1 2 221.308 1.409 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339572587 176040462 /nfs/dbraw/zinc/04/04/62/176040462.db2.gz XQBYUANJRNKJQJ-VGMNWLOBSA-N 1 2 221.308 1.409 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000284338973 176060592 /nfs/dbraw/zinc/06/05/92/176060592.db2.gz RCRRYXPCVVEDEO-GHMZBOCLSA-N 1 2 233.315 1.639 20 0 BDADLO C[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1C ZINC000264088702 176067592 /nfs/dbraw/zinc/06/75/92/176067592.db2.gz DNHWJBXDIXWWEC-SNVBAGLBSA-N 1 2 236.319 1.504 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000299646482 176091751 /nfs/dbraw/zinc/09/17/51/176091751.db2.gz JOWIUYDSIKTWOV-GFCCVEGCSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000043311562 176092738 /nfs/dbraw/zinc/09/27/38/176092738.db2.gz FBHDZSCSIOYZTI-LLVKDONJSA-N 1 2 236.319 1.325 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376954187 176106438 /nfs/dbraw/zinc/10/64/38/176106438.db2.gz JDTLJWSVWXDWDY-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000172812662 176111801 /nfs/dbraw/zinc/11/18/01/176111801.db2.gz SKYNUOICFABEAF-MRVPVSSYSA-N 1 2 217.276 1.352 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000264249633 176130572 /nfs/dbraw/zinc/13/05/72/176130572.db2.gz BFHZSHSTZIXTJL-ZJUUUORDSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000336243953 176133886 /nfs/dbraw/zinc/13/38/86/176133886.db2.gz YQYUQBBCRCCCTR-BXKDBHETSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000120136963 176135941 /nfs/dbraw/zinc/13/59/41/176135941.db2.gz MXJANEJZAONUBS-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336292247 176146811 /nfs/dbraw/zinc/14/68/11/176146811.db2.gz ULRAQKPEKIGCQU-ZYHUDNBSSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000264540385 176163630 /nfs/dbraw/zinc/16/36/30/176163630.db2.gz LZYRUNKYOFNGEP-SNVBAGLBSA-N 1 2 229.283 1.816 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccccn2)CC[S@@]1=O ZINC000277103310 176175707 /nfs/dbraw/zinc/17/57/07/176175707.db2.gz GPNRMRCBAZRTBF-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccccn2)CC[S@@]1=O ZINC000277103310 176175708 /nfs/dbraw/zinc/17/57/08/176175708.db2.gz GPNRMRCBAZRTBF-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccncc2)CC[S@@]1=O ZINC000277089898 176177202 /nfs/dbraw/zinc/17/72/02/176177202.db2.gz FWJCITUJJSZYAK-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccncc2)CC[S@@]1=O ZINC000277089898 176177204 /nfs/dbraw/zinc/17/72/04/176177204.db2.gz FWJCITUJJSZYAK-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)[C@H]1CO ZINC000295961700 176177464 /nfs/dbraw/zinc/17/74/64/176177464.db2.gz JOHAFYOTICOKKH-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@H]1CO ZINC000295961700 176177465 /nfs/dbraw/zinc/17/74/65/176177465.db2.gz JOHAFYOTICOKKH-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)[C@@H]1CO ZINC000189730985 176178839 /nfs/dbraw/zinc/17/88/39/176178839.db2.gz UYIPZIJSKWLKTJ-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)[C@@H]1CO ZINC000189730985 176178840 /nfs/dbraw/zinc/17/88/40/176178840.db2.gz UYIPZIJSKWLKTJ-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1ccc(N[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000049235908 487633156 /nfs/dbraw/zinc/63/31/56/487633156.db2.gz LDHZSSGYOLIRFD-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO C[C@@H]1CCOCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301978627 176189173 /nfs/dbraw/zinc/18/91/73/176189173.db2.gz FHSQFQNNFCEMBC-SNVBAGLBSA-N 1 2 233.315 1.969 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302881602 176199977 /nfs/dbraw/zinc/19/99/77/176199977.db2.gz JEHPJCNGOWTWDK-HTQZYQBOSA-N 1 2 246.318 1.323 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000357475913 176258003 /nfs/dbraw/zinc/25/80/03/176258003.db2.gz VXJZYERBPFIAPH-MXWKQRLJSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H]1C ZINC000357549915 176258299 /nfs/dbraw/zinc/25/82/99/176258299.db2.gz MKAPPSBNBYHSEB-BBBLOLIVSA-N 1 2 233.315 1.696 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC(=O)N1 ZINC000295075832 176280331 /nfs/dbraw/zinc/28/03/31/176280331.db2.gz RKHQPNFDSGNTPH-KXMPLOMGSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC(=O)N1 ZINC000295075832 176280332 /nfs/dbraw/zinc/28/03/32/176280332.db2.gz RKHQPNFDSGNTPH-KXMPLOMGSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C[N@H+](CCCOc2ccccc2)CC(=O)N1 ZINC000296317740 176289894 /nfs/dbraw/zinc/28/98/94/176289894.db2.gz TWPSOKJCANBTOM-GFCCVEGCSA-N 1 2 248.326 1.276 20 0 BDADLO C[C@@H]1C[N@@H+](CCCOc2ccccc2)CC(=O)N1 ZINC000296317740 176289896 /nfs/dbraw/zinc/28/98/96/176289896.db2.gz TWPSOKJCANBTOM-GFCCVEGCSA-N 1 2 248.326 1.276 20 0 BDADLO C[C@@H]1C[NH+](CCOCC2CC2)C[C@@H](C)S1=O ZINC000362087492 176292586 /nfs/dbraw/zinc/29/25/86/176292586.db2.gz BOOZGLCOALYDKN-GHMZBOCLSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@@H]1C[NH+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC000331809206 176300878 /nfs/dbraw/zinc/30/08/78/176300878.db2.gz DPGSOPIKVWOGEL-NXEZZACHSA-N 1 2 246.314 1.110 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)CC[C@H]1O ZINC000336349190 176302324 /nfs/dbraw/zinc/30/23/24/176302324.db2.gz ZWTGFJJYHQXPFY-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)CC[C@H]1O ZINC000336349190 176302326 /nfs/dbraw/zinc/30/23/26/176302326.db2.gz ZWTGFJJYHQXPFY-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000179646446 176305385 /nfs/dbraw/zinc/30/53/85/176305385.db2.gz SVHYWXKEHQIXLL-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3nccn32)CCO1 ZINC000179646446 176305387 /nfs/dbraw/zinc/30/53/87/176305387.db2.gz SVHYWXKEHQIXLL-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3nccn32)CCO1 ZINC000179646446 176305389 /nfs/dbraw/zinc/30/53/89/176305389.db2.gz SVHYWXKEHQIXLL-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccsc2)CC[S@](=O)C1 ZINC000277333632 176309692 /nfs/dbraw/zinc/30/96/92/176309692.db2.gz CTQYJMRLEAWCSN-BMIGLBTASA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccsc2)CC[S@](=O)C1 ZINC000277333632 176309694 /nfs/dbraw/zinc/30/96/94/176309694.db2.gz CTQYJMRLEAWCSN-BMIGLBTASA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@H](C2CC2)O1 ZINC000280674558 176309902 /nfs/dbraw/zinc/30/99/02/176309902.db2.gz UKUGTTNZDQEKKK-ZWNOBZJWSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C[C@H](C2CC2)O1 ZINC000280674558 176309905 /nfs/dbraw/zinc/30/99/05/176309905.db2.gz UKUGTTNZDQEKKK-ZWNOBZJWSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@@H](C2CC2)O1 ZINC000280674556 176309920 /nfs/dbraw/zinc/30/99/20/176309920.db2.gz UKUGTTNZDQEKKK-MFKMUULPSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C[C@@H](C2CC2)O1 ZINC000280674556 176309922 /nfs/dbraw/zinc/30/99/22/176309922.db2.gz UKUGTTNZDQEKKK-MFKMUULPSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)[C@@H]1C ZINC000339568207 176313383 /nfs/dbraw/zinc/31/33/83/176313383.db2.gz MAVZYXSBRSBFKL-RKDXNWHRSA-N 1 2 223.324 1.268 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)[C@@H]1C ZINC000339568207 176313384 /nfs/dbraw/zinc/31/33/84/176313384.db2.gz MAVZYXSBRSBFKL-RKDXNWHRSA-N 1 2 223.324 1.268 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1 ZINC000355080207 176336574 /nfs/dbraw/zinc/33/65/74/176336574.db2.gz MILWPJMUVNRSLD-GFCCVEGCSA-N 1 2 248.326 1.137 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1 ZINC000355080207 176336576 /nfs/dbraw/zinc/33/65/76/176336576.db2.gz MILWPJMUVNRSLD-GFCCVEGCSA-N 1 2 248.326 1.137 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2nccn21 ZINC000294272013 176376922 /nfs/dbraw/zinc/37/69/22/176376922.db2.gz YAKSFNFIJAJYPC-BWZBUEFSSA-N 1 2 249.236 1.402 20 0 BDADLO C[C@H](CF)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000288410895 176648666 /nfs/dbraw/zinc/64/86/66/176648666.db2.gz ISZYSHFBCFKXBU-SNVBAGLBSA-N 1 2 234.278 1.715 20 0 BDADLO c1nc(C[N@@H+]2CCCc3n[nH]cc3C2)co1 ZINC000668842290 487635419 /nfs/dbraw/zinc/63/54/19/487635419.db2.gz YSFYJVSIDSUVAV-UHFFFAOYSA-N 1 2 218.260 1.346 20 0 BDADLO c1nc(C[N@H+]2CCCc3n[nH]cc3C2)co1 ZINC000668842290 487635425 /nfs/dbraw/zinc/63/54/25/487635425.db2.gz YSFYJVSIDSUVAV-UHFFFAOYSA-N 1 2 218.260 1.346 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cn[nH]c1 ZINC000361749429 176891387 /nfs/dbraw/zinc/89/13/87/176891387.db2.gz DYOAKOJNZLASKO-YUMQZZPRSA-N 1 2 247.306 1.143 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000362283694 177001778 /nfs/dbraw/zinc/00/17/78/177001778.db2.gz SBFNILYNSINUEW-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1CCC(F)(F)F ZINC000362283694 177001779 /nfs/dbraw/zinc/00/17/79/177001779.db2.gz SBFNILYNSINUEW-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000162649213 177009215 /nfs/dbraw/zinc/00/92/15/177009215.db2.gz PGMHUQUAIFTTJW-VHSXEESVSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cn(C)nn1 ZINC000336700906 177049833 /nfs/dbraw/zinc/04/98/33/177049833.db2.gz GEKBXKLQKBWLGW-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336700906 177049834 /nfs/dbraw/zinc/04/98/34/177049834.db2.gz GEKBXKLQKBWLGW-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCc2ccccc2C1 ZINC000287518031 177054511 /nfs/dbraw/zinc/05/45/11/177054511.db2.gz YTESUMBNEKXQAN-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCc2ccccc2C1 ZINC000287518031 177054513 /nfs/dbraw/zinc/05/45/13/177054513.db2.gz YTESUMBNEKXQAN-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000123486108 177059609 /nfs/dbraw/zinc/05/96/09/177059609.db2.gz ZZGZCKUNYOMCBQ-VUDBWIFFSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000123486108 177059611 /nfs/dbraw/zinc/05/96/11/177059611.db2.gz ZZGZCKUNYOMCBQ-VUDBWIFFSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336263872 177160926 /nfs/dbraw/zinc/16/09/26/177160926.db2.gz GCLWPBIWENJNHK-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336263872 177160927 /nfs/dbraw/zinc/16/09/27/177160927.db2.gz GCLWPBIWENJNHK-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000288021818 177106202 /nfs/dbraw/zinc/10/62/02/177106202.db2.gz LAQXXLSHYUBUFZ-VIFPVBQESA-N 1 2 207.277 1.353 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000336400883 177113395 /nfs/dbraw/zinc/11/33/95/177113395.db2.gz QHFDJIFSZKYKRE-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000336389639 177123528 /nfs/dbraw/zinc/12/35/28/177123528.db2.gz KSODECNHFJRRBG-QWRGUYRKSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@H]1CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000336389640 177139007 /nfs/dbraw/zinc/13/90/07/177139007.db2.gz KSODECNHFJRRBG-WDEREUQCSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000360568100 177140459 /nfs/dbraw/zinc/14/04/59/177140459.db2.gz JJRUTZBYYGEDFP-QWRGUYRKSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H]1CCN(C(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000127856874 177148982 /nfs/dbraw/zinc/14/89/82/177148982.db2.gz BUVZOLVHHJOGEH-WDEREUQCSA-N 1 2 236.319 1.448 20 0 BDADLO C[C@H]1CC[N@H+](CCn2cccn2)CC1(F)F ZINC000336461675 177161965 /nfs/dbraw/zinc/16/19/65/177161965.db2.gz PDXFJZGHAMOPLR-JTQLQIEISA-N 1 2 229.274 1.860 20 0 BDADLO C[C@H]1CC[N@@H+](CCn2cccn2)CC1(F)F ZINC000336461675 177161967 /nfs/dbraw/zinc/16/19/67/177161967.db2.gz PDXFJZGHAMOPLR-JTQLQIEISA-N 1 2 229.274 1.860 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccnc2)CC[S@@]1=O ZINC000277227361 177164562 /nfs/dbraw/zinc/16/45/62/177164562.db2.gz OLGSRRLNGMTCOE-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccnc2)CC[S@@]1=O ZINC000277227361 177164564 /nfs/dbraw/zinc/16/45/64/177164564.db2.gz OLGSRRLNGMTCOE-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)NCc1c[nH+]cn1C ZINC000336397036 177184771 /nfs/dbraw/zinc/18/47/71/177184771.db2.gz UWCULLIWQYFGCX-AOOOYVTPSA-N 1 2 236.319 1.503 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000332306557 177189310 /nfs/dbraw/zinc/18/93/10/177189310.db2.gz KHOGZKLDAMNKLC-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000332306557 177189311 /nfs/dbraw/zinc/18/93/11/177189311.db2.gz KHOGZKLDAMNKLC-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+]2CCC(F)(F)C2)O1 ZINC000336624992 177201756 /nfs/dbraw/zinc/20/17/56/177201756.db2.gz PEKROQPZQOKKER-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2CCC(F)(F)C2)O1 ZINC000336624992 177201754 /nfs/dbraw/zinc/20/17/54/177201754.db2.gz PEKROQPZQOKKER-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000335713395 177208654 /nfs/dbraw/zinc/20/86/54/177208654.db2.gz RCRNTSRLPKGMPQ-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccncc1 ZINC000335713395 177208656 /nfs/dbraw/zinc/20/86/56/177208656.db2.gz RCRNTSRLPKGMPQ-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000279285054 177215975 /nfs/dbraw/zinc/21/59/75/177215975.db2.gz YBNLYOIXBLBZDX-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](C)[C@@H]1C ZINC000296990993 177221391 /nfs/dbraw/zinc/22/13/91/177221391.db2.gz GDCOOHYMDGOHLX-AXFHLTTASA-N 1 2 236.319 1.321 20 0 BDADLO C[C@H]1C[N@H+](CCSc2ccccn2)CCO1 ZINC000188211610 177254926 /nfs/dbraw/zinc/25/49/26/177254926.db2.gz LDXMCYTXCXPZCH-NSHDSACASA-N 1 2 238.356 1.894 20 0 BDADLO C[C@H]1C[N@@H+](CCSc2ccccn2)CCO1 ZINC000188211610 177254927 /nfs/dbraw/zinc/25/49/27/177254927.db2.gz LDXMCYTXCXPZCH-NSHDSACASA-N 1 2 238.356 1.894 20 0 BDADLO C[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCC1=O ZINC000334182532 177259552 /nfs/dbraw/zinc/25/95/52/177259552.db2.gz BYWDSEDKRXTJGX-CBAPKCEASA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCC1=O ZINC000334182532 177259553 /nfs/dbraw/zinc/25/95/53/177259553.db2.gz BYWDSEDKRXTJGX-CBAPKCEASA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000226558824 177269149 /nfs/dbraw/zinc/26/91/49/177269149.db2.gz YJCNMWPKZMNWRN-YUMQZZPRSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000226558824 177269151 /nfs/dbraw/zinc/26/91/51/177269151.db2.gz YJCNMWPKZMNWRN-YUMQZZPRSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc3n2CCCC3)[C@H]1C ZINC000336511531 177271949 /nfs/dbraw/zinc/27/19/49/177271949.db2.gz ADTDUXXBCYYJNM-UWVGGRQHSA-N 1 2 220.320 1.455 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc3n2CCCC3)[C@H]1C ZINC000336511531 177271951 /nfs/dbraw/zinc/27/19/51/177271951.db2.gz ADTDUXXBCYYJNM-UWVGGRQHSA-N 1 2 220.320 1.455 20 0 BDADLO C[C@H](c1ccccc1F)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168404 177274920 /nfs/dbraw/zinc/27/49/20/177274920.db2.gz KVHQOLHKLNZCLW-VHSXEESVSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1ccccc1F)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168404 177274922 /nfs/dbraw/zinc/27/49/22/177274922.db2.gz KVHQOLHKLNZCLW-VHSXEESVSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1CO ZINC000357672993 177277653 /nfs/dbraw/zinc/27/76/53/177277653.db2.gz KCYGUBJKBDEHTD-QWRGUYRKSA-N 1 2 243.310 1.694 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](CO)O1 ZINC000299970635 177278262 /nfs/dbraw/zinc/27/82/62/177278262.db2.gz UMSGJGPGBVAJBN-VHSXEESVSA-N 1 2 247.298 1.149 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1C ZINC000267648818 177279040 /nfs/dbraw/zinc/27/90/40/177279040.db2.gz LWQGXHPGZXELBP-IUCAKERBSA-N 1 2 231.303 1.456 20 0 BDADLO C[C@H]1COCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000309241070 177289017 /nfs/dbraw/zinc/28/90/17/177289017.db2.gz ARRASTUVHXJKPJ-SSDOTTSWSA-N 1 2 242.710 1.185 20 0 BDADLO C[C@H]1COCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000309241070 177289019 /nfs/dbraw/zinc/28/90/19/177289019.db2.gz ARRASTUVHXJKPJ-SSDOTTSWSA-N 1 2 242.710 1.185 20 0 BDADLO C[C@H]1COCC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC000079961991 177291243 /nfs/dbraw/zinc/29/12/43/177291243.db2.gz JYUCIVMPFKCADZ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1COCC[N@H+]1CC(=O)NCCC(C)(C)C ZINC000079961991 177291244 /nfs/dbraw/zinc/29/12/44/177291244.db2.gz JYUCIVMPFKCADZ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCc1cscn1 ZINC000283909011 177292979 /nfs/dbraw/zinc/29/29/79/177292979.db2.gz FZFDMGOGMAXCPZ-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO C[C@H]1COCC[N@H+]1CCc1cscn1 ZINC000283909011 177292980 /nfs/dbraw/zinc/29/29/80/177292980.db2.gz FZFDMGOGMAXCPZ-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000336677584 177305779 /nfs/dbraw/zinc/30/57/79/177305779.db2.gz HYGPTOBJKIZNGT-IUCAKERBSA-N 1 2 231.361 1.669 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)N[C@H]2CC2(C)C)c2[nH+]ccn21 ZINC000334121923 177329884 /nfs/dbraw/zinc/32/98/84/177329884.db2.gz LYYACIWNMQDGCQ-AEJSXWLSSA-N 1 2 248.330 1.987 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nccn1C(F)F ZINC000336168863 177338315 /nfs/dbraw/zinc/33/83/15/177338315.db2.gz DOWKRLAEOKQWTI-JGVFFNPUSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nccn1C(F)F ZINC000336168863 177338316 /nfs/dbraw/zinc/33/83/16/177338316.db2.gz DOWKRLAEOKQWTI-JGVFFNPUSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000336571147 177338345 /nfs/dbraw/zinc/33/83/45/177338345.db2.gz FWFNRTDRQAASPH-DTWKUNHWSA-N 1 2 217.272 1.522 20 0 BDADLO C[C@H]1C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000072276272 177350903 /nfs/dbraw/zinc/35/09/03/177350903.db2.gz FKGKJIIUDYNUFB-AXFHLTTASA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000072276272 177350905 /nfs/dbraw/zinc/35/09/05/177350905.db2.gz FKGKJIIUDYNUFB-AXFHLTTASA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)COc2cc[nH+]cc2)C1 ZINC000276477531 177357604 /nfs/dbraw/zinc/35/76/04/177357604.db2.gz RBTDEOQMLBBILC-RYUDHWBXSA-N 1 2 248.326 1.965 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)c2nccn21 ZINC000345353969 177372189 /nfs/dbraw/zinc/37/21/89/177372189.db2.gz RLIWHUCAEYLWNC-ONGXEEELSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000354207508 177378368 /nfs/dbraw/zinc/37/83/68/177378368.db2.gz WLTMONNHRSOWIU-IUCAKERBSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354989450 177378749 /nfs/dbraw/zinc/37/87/49/177378749.db2.gz ZGRCVQNLTRIEGY-JQWIXIFHSA-N 1 2 243.310 1.997 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000047597717 177380326 /nfs/dbraw/zinc/38/03/26/177380326.db2.gz AWTAZCLAYZRACV-QWRGUYRKSA-N 1 2 236.319 1.228 20 0 BDADLO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccccc1F ZINC000262037182 177399185 /nfs/dbraw/zinc/39/91/85/177399185.db2.gz YAXDXLIPDOPKKN-KCJUWKMLSA-N 1 2 238.262 1.141 20 0 BDADLO C[C@H]1OCC[C@]12C[N@H+](C/C=C/Cl)CCO2 ZINC000373403042 177409980 /nfs/dbraw/zinc/40/99/80/177409980.db2.gz MGOCIUZKGSWAQY-BOCAPUTCSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@H]1OCC[C@]12C[N@@H+](C/C=C/Cl)CCO2 ZINC000373403042 177409981 /nfs/dbraw/zinc/40/99/81/177409981.db2.gz MGOCIUZKGSWAQY-BOCAPUTCSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@]1([NH2+]CC[C@@H](O)c2ccccc2)CCOC1=O ZINC000298363207 177469444 /nfs/dbraw/zinc/46/94/44/177469444.db2.gz NEUFQTXOEOTIDN-OCCSQVGLSA-N 1 2 249.310 1.405 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493958 487639891 /nfs/dbraw/zinc/63/98/91/487639891.db2.gz AQKSQRJHTVSVTA-MWLCHTKSSA-N 1 2 231.299 1.114 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)[C@H]2CCCCO2)c[nH+]1 ZINC000272180497 487643083 /nfs/dbraw/zinc/64/30/83/487643083.db2.gz YXNVMGYXURVJMW-LDYMZIIASA-N 1 2 237.303 1.406 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666290245 487643440 /nfs/dbraw/zinc/64/34/40/487643440.db2.gz CNRFDZLSOUHMRN-SNVBAGLBSA-N 1 2 233.315 1.431 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666290245 487643446 /nfs/dbraw/zinc/64/34/46/487643446.db2.gz CNRFDZLSOUHMRN-SNVBAGLBSA-N 1 2 233.315 1.431 20 0 BDADLO Fc1ccc2c(c1)CC[N@@H+](CC1OCCO1)C2 ZINC000272214426 487643863 /nfs/dbraw/zinc/64/38/63/487643863.db2.gz DRQHCPGSMFWZQI-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO Fc1ccc2c(c1)CC[N@H+](CC1OCCO1)C2 ZINC000272214426 487643867 /nfs/dbraw/zinc/64/38/67/487643867.db2.gz DRQHCPGSMFWZQI-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO Cc1nc(N[C@H](C)Cc2ccncc2)cc[nH+]1 ZINC000487682079 225321510 /nfs/dbraw/zinc/32/15/10/225321510.db2.gz AUPJVMOMZWSBKI-SNVBAGLBSA-N 1 2 228.299 1.645 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H](C)C(C)C)[nH+]1 ZINC000488408337 225390702 /nfs/dbraw/zinc/39/07/02/225390702.db2.gz FBOUBSFEFDKLKI-SECBINFHSA-N 1 2 237.351 1.372 20 0 BDADLO Cc1nc(NC[C@@H](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488408337 225390706 /nfs/dbraw/zinc/39/07/06/225390706.db2.gz FBOUBSFEFDKLKI-SECBINFHSA-N 1 2 237.351 1.372 20 0 BDADLO Cc1cc(NC(=O)C=Cc2ccncn2)cc[nH+]1 ZINC000492469220 226003487 /nfs/dbraw/zinc/00/34/87/226003487.db2.gz FSFDWIDLFBTUBX-IHWYPQMZSA-N 1 2 240.266 1.254 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000493012513 226103095 /nfs/dbraw/zinc/10/30/95/226103095.db2.gz AMGSTDUZEKPMIJ-KFOINNEUSA-N 1 2 229.230 1.583 20 0 BDADLO C[C@]1(F)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492761445 226048373 /nfs/dbraw/zinc/04/83/73/226048373.db2.gz GBLVPLQRWZABKP-QUCGXOGASA-N 1 2 223.251 1.383 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(C2CC2)CC1 ZINC000492775151 226050330 /nfs/dbraw/zinc/05/03/30/226050330.db2.gz XTLLIMDQOOQNQY-ARJAWSKDSA-N 1 2 217.272 1.482 20 0 BDADLO C[C@@H]1C[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492776327 226051559 /nfs/dbraw/zinc/05/15/59/226051559.db2.gz ZSOGJDCNZFDSGB-NTYHVHHESA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCOCC1CC1 ZINC000492776781 226051838 /nfs/dbraw/zinc/05/18/38/226051838.db2.gz NCBBGFZOWUVEAO-PLNGDYQASA-N 1 2 249.314 1.356 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/C1CC1)C1CC1 ZINC000492803917 226056184 /nfs/dbraw/zinc/05/61/84/226056184.db2.gz SSQYGXPENIEBBL-LVDDQXARSA-N 1 2 245.326 1.954 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000492812711 226059443 /nfs/dbraw/zinc/05/94/43/226059443.db2.gz NLLXIJPFQRSPJJ-SREVYHEPSA-N 1 2 219.288 1.824 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCC[C@H]1O ZINC000492899359 226077608 /nfs/dbraw/zinc/07/76/08/226077608.db2.gz MADYCVUQRBOUCN-UXFRKABBSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903844 226079792 /nfs/dbraw/zinc/07/97/92/226079792.db2.gz UXUKUPYXJXEXPA-ONEGZZNKSA-N 1 2 231.259 1.278 20 0 BDADLO COC1(C)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492902058 226080063 /nfs/dbraw/zinc/08/00/63/226080063.db2.gz QIMWUXNPONPMPA-ARJAWSKDSA-N 1 2 249.314 1.450 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/C(C)(C)C ZINC000493305460 226181301 /nfs/dbraw/zinc/18/13/01/226181301.db2.gz SIFKAWDFTIGYLS-MVIFTORASA-N 1 2 235.331 1.990 20 0 BDADLO Cc1nn(C)c(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000493094646 226124817 /nfs/dbraw/zinc/12/48/17/226124817.db2.gz RNDSDGCQCCJRTL-PLNGDYQASA-N 1 2 245.286 1.412 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCC[C@@H]1O ZINC000493186391 226148693 /nfs/dbraw/zinc/14/86/93/226148693.db2.gz IYLHPXDMEMYLIR-PVTPVBHGSA-N 1 2 249.314 1.090 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1cnccn1 ZINC000493199926 226153914 /nfs/dbraw/zinc/15/39/14/226153914.db2.gz DLYBEIRJVAVRQI-NSCUHMNNSA-N 1 2 240.266 1.254 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493263374 226170227 /nfs/dbraw/zinc/17/02/27/226170227.db2.gz DVGXLVCTHHBVRR-OXMQDWPZSA-N 1 2 233.315 1.926 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(C(F)F)CC1 ZINC000493281282 226173663 /nfs/dbraw/zinc/17/36/63/226173663.db2.gz CYBRHJWIOQIKRP-UPHRSURJSA-N 1 2 241.241 1.584 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCCCC[C@H]1O ZINC000493385783 226201416 /nfs/dbraw/zinc/20/14/16/226201416.db2.gz LYVYEBMOMWXWBP-AFPRHGJPSA-N 1 2 249.314 1.233 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCSC1 ZINC000493383579 226201840 /nfs/dbraw/zinc/20/18/40/226201840.db2.gz JGUSTVULFBANJX-FHKCNRDCSA-N 1 2 223.301 1.045 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493514386 226236971 /nfs/dbraw/zinc/23/69/71/226236971.db2.gz HNWRECJFPIKFEL-HUGTUPKYSA-N 1 2 205.261 1.432 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1nccs1 ZINC000493608427 226245491 /nfs/dbraw/zinc/24/54/91/226245491.db2.gz DPUCKPNOLQGOKA-OWOJBTEDSA-N 1 2 220.257 1.518 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1cncs1 ZINC000493681145 226249174 /nfs/dbraw/zinc/24/91/74/226249174.db2.gz BYIYEGZMWBYRMZ-NSCUHMNNSA-N 1 2 245.307 1.920 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@H+](CC(F)F)C[C@@H]2C1 ZINC000306849078 487657511 /nfs/dbraw/zinc/65/75/11/487657511.db2.gz MRRQRUZMVTVCQB-XHNCKOQMSA-N 1 2 205.248 1.344 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@@H+](CC(F)F)C[C@@H]2C1 ZINC000306849078 487657513 /nfs/dbraw/zinc/65/75/13/487657513.db2.gz MRRQRUZMVTVCQB-XHNCKOQMSA-N 1 2 205.248 1.344 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC1(C(F)F)CC1 ZINC000669689328 487657161 /nfs/dbraw/zinc/65/71/61/487657161.db2.gz GMYUIYWLMKCTDR-UHFFFAOYSA-N 1 2 243.257 1.577 20 0 BDADLO CO[C@H](C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000526077510 262759672 /nfs/dbraw/zinc/75/96/72/262759672.db2.gz YZBKBPKDWDRPNG-LBPRGKRZSA-N 1 2 234.299 1.484 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](O)C[C@@H]2C)c(C)c[nH+]1 ZINC000526075731 262759793 /nfs/dbraw/zinc/75/97/93/262759793.db2.gz WUYMVEYLWZZRAV-QWRGUYRKSA-N 1 2 249.314 1.107 20 0 BDADLO COCc1ccc(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000174761367 229392686 /nfs/dbraw/zinc/39/26/86/229392686.db2.gz SCYCCRBISYRMEV-UHFFFAOYSA-N 1 2 249.270 1.122 20 0 BDADLO COC[C@H](C)Cc1noc(Cn2cc[nH+]c2)n1 ZINC000351481879 487675740 /nfs/dbraw/zinc/67/57/40/487675740.db2.gz WPXWQUPOYLYTAH-SECBINFHSA-N 1 2 236.275 1.139 20 0 BDADLO Cc1cc(N[C@@H]2CCc3c[nH]nc3C2)nc[nH+]1 ZINC000675158840 487676328 /nfs/dbraw/zinc/67/63/28/487676328.db2.gz QFVOCCWENMYBAN-SNVBAGLBSA-N 1 2 229.287 1.478 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCCCF ZINC000671688481 487692416 /nfs/dbraw/zinc/69/24/16/487692416.db2.gz HADVWVARDBRZFP-MRVPVSSYSA-N 1 2 211.227 1.438 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCCCF ZINC000671688481 487692419 /nfs/dbraw/zinc/69/24/19/487692419.db2.gz HADVWVARDBRZFP-MRVPVSSYSA-N 1 2 211.227 1.438 20 0 BDADLO O=C(c1ncc[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000667652778 487698458 /nfs/dbraw/zinc/69/84/58/487698458.db2.gz JFVCZUQROZZXBL-SECBINFHSA-N 1 2 245.286 1.500 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCO ZINC000671708938 487702530 /nfs/dbraw/zinc/70/25/30/487702530.db2.gz JYYLWNJBUBAZRN-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCO ZINC000671708938 487702533 /nfs/dbraw/zinc/70/25/33/487702533.db2.gz JYYLWNJBUBAZRN-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC12CCC2 ZINC000675336605 487712761 /nfs/dbraw/zinc/71/27/61/487712761.db2.gz ZZBDRGSDIKNLOA-SECBINFHSA-N 1 2 219.288 1.525 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000671737016 487714748 /nfs/dbraw/zinc/71/47/48/487714748.db2.gz VNMWMAXBRFCNBE-MRVPVSSYSA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000671737016 487714751 /nfs/dbraw/zinc/71/47/51/487714751.db2.gz VNMWMAXBRFCNBE-MRVPVSSYSA-N 1 2 225.292 1.414 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000668420056 487722060 /nfs/dbraw/zinc/72/20/60/487722060.db2.gz UBEXMWFYANWXOR-ZYHUDNBSSA-N 1 2 248.326 1.954 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681119183 487731975 /nfs/dbraw/zinc/73/19/75/487731975.db2.gz ODABDOSJPGXCCK-TUAOUCFPSA-N 1 2 233.315 1.703 20 0 BDADLO FC1(F)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665710501 487737240 /nfs/dbraw/zinc/73/72/40/487737240.db2.gz XNAKCIACZYLIGU-UHFFFAOYSA-N 1 2 242.229 1.126 20 0 BDADLO FC1(F)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665710501 487737241 /nfs/dbraw/zinc/73/72/41/487737241.db2.gz XNAKCIACZYLIGU-UHFFFAOYSA-N 1 2 242.229 1.126 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665719259 487738557 /nfs/dbraw/zinc/73/85/57/487738557.db2.gz QFDGUPTVJWCFAZ-HTQZYQBOSA-N 1 2 220.276 1.491 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665719259 487738560 /nfs/dbraw/zinc/73/85/60/487738560.db2.gz QFDGUPTVJWCFAZ-HTQZYQBOSA-N 1 2 220.276 1.491 20 0 BDADLO CC(C)OC[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000681168237 487738850 /nfs/dbraw/zinc/73/88/50/487738850.db2.gz LABBYFMXZGZMGO-LBPRGKRZSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)OC[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000681168237 487738854 /nfs/dbraw/zinc/73/88/54/487738854.db2.gz LABBYFMXZGZMGO-LBPRGKRZSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)OC[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000681168236 487738673 /nfs/dbraw/zinc/73/86/73/487738673.db2.gz LABBYFMXZGZMGO-GFCCVEGCSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)OC[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000681168236 487738680 /nfs/dbraw/zinc/73/86/80/487738680.db2.gz LABBYFMXZGZMGO-GFCCVEGCSA-N 1 2 239.319 1.036 20 0 BDADLO c1nc(N2CCC[C@H]3C[C@H]32)c2c([nH+]1)NCCO2 ZINC000665719040 487739307 /nfs/dbraw/zinc/73/93/07/487739307.db2.gz ZQNOWEGUFQIYCP-DTWKUNHWSA-N 1 2 232.287 1.270 20 0 BDADLO c1nc2c(c(N3CCC[C@H]4C[C@H]43)[nH+]1)OCCN2 ZINC000665719040 487739312 /nfs/dbraw/zinc/73/93/12/487739312.db2.gz ZQNOWEGUFQIYCP-DTWKUNHWSA-N 1 2 232.287 1.270 20 0 BDADLO C[C@@H]1CN(c2nc(N)c3ccccc3[nH+]2)C[C@@H]1O ZINC000678152830 487740559 /nfs/dbraw/zinc/74/05/59/487740559.db2.gz WPWMKJSUZUKLIO-KCJUWKMLSA-N 1 2 244.298 1.029 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667830404 487746001 /nfs/dbraw/zinc/74/60/01/487746001.db2.gz ORJWXJFVYSLQJP-UWVGGRQHSA-N 1 2 233.315 1.383 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667830404 487746002 /nfs/dbraw/zinc/74/60/02/487746002.db2.gz ORJWXJFVYSLQJP-UWVGGRQHSA-N 1 2 233.315 1.383 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000458797792 487748741 /nfs/dbraw/zinc/74/87/41/487748741.db2.gz DPONXKVAPNVYGC-WDEREUQCSA-N 1 2 236.319 1.264 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)s1 ZINC000661619675 487753659 /nfs/dbraw/zinc/75/36/59/487753659.db2.gz CBUHFJCMFKPRCO-VROVMSAKSA-N 1 2 241.360 1.295 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)s1 ZINC000661619675 487753664 /nfs/dbraw/zinc/75/36/64/487753664.db2.gz CBUHFJCMFKPRCO-VROVMSAKSA-N 1 2 241.360 1.295 20 0 BDADLO CCc1cc(NCc2nccc(N)n2)nc[nH+]1 ZINC000675621303 487753995 /nfs/dbraw/zinc/75/39/95/487753995.db2.gz ZSVBJXGVGFFWOM-UHFFFAOYSA-N 1 2 230.275 1.023 20 0 BDADLO Cc1nnc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)s1 ZINC000661619674 487754412 /nfs/dbraw/zinc/75/44/12/487754412.db2.gz CBUHFJCMFKPRCO-HTQZYQBOSA-N 1 2 241.360 1.295 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000684086368 487761878 /nfs/dbraw/zinc/76/18/78/487761878.db2.gz GKLLUSIDPGFANI-SNVBAGLBSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccoc2C)nn1C ZINC000666232639 487765562 /nfs/dbraw/zinc/76/55/62/487765562.db2.gz CKBRDJNDWHGFFW-UHFFFAOYSA-N 1 2 219.288 1.920 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000666266690 487777692 /nfs/dbraw/zinc/77/76/92/487777692.db2.gz HDWBKTKJKIYIML-MRVPVSSYSA-N 1 2 219.288 1.135 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000666266690 487777697 /nfs/dbraw/zinc/77/76/97/487777697.db2.gz HDWBKTKJKIYIML-MRVPVSSYSA-N 1 2 219.288 1.135 20 0 BDADLO Cn1ncnc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000675893841 487789056 /nfs/dbraw/zinc/78/90/56/487789056.db2.gz SEQOYEVCTKJNLD-SNVBAGLBSA-N 1 2 246.318 1.265 20 0 BDADLO COCCC1C[NH+](Cc2nccn2C(C)C)C1 ZINC000668471599 487795935 /nfs/dbraw/zinc/79/59/35/487795935.db2.gz DRDOMIAZQCEQBU-UHFFFAOYSA-N 1 2 237.347 1.932 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000666400006 487798413 /nfs/dbraw/zinc/79/84/13/487798413.db2.gz PNNMJXVNZWCSFG-LLVKDONJSA-N 1 2 241.310 1.153 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@H](CF)C1 ZINC000666400006 487798416 /nfs/dbraw/zinc/79/84/16/487798416.db2.gz PNNMJXVNZWCSFG-LLVKDONJSA-N 1 2 241.310 1.153 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc2cnccc2o1 ZINC000651626917 487802591 /nfs/dbraw/zinc/80/25/91/487802591.db2.gz FJTGYNMVYCKZAF-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000651626917 487802593 /nfs/dbraw/zinc/80/25/93/487802593.db2.gz FJTGYNMVYCKZAF-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)[C@H](C)O1 ZINC000668031950 487806390 /nfs/dbraw/zinc/80/63/90/487806390.db2.gz NNCUVJROSVSXEA-WOPDTQHZSA-N 1 2 249.358 1.827 20 0 BDADLO Cc1ccoc1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000666451439 487813305 /nfs/dbraw/zinc/81/33/05/487813305.db2.gz XXMJGAJONZCSDI-LLVKDONJSA-N 1 2 247.298 1.532 20 0 BDADLO Cc1ccoc1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000666451442 487813406 /nfs/dbraw/zinc/81/34/06/487813406.db2.gz XXMJGAJONZCSDI-NSHDSACASA-N 1 2 247.298 1.532 20 0 BDADLO O=C(NCCCF)Nc1ccc2[nH+]ccn2c1 ZINC000676130713 487816350 /nfs/dbraw/zinc/81/63/50/487816350.db2.gz HXGZKCSEKGKWIE-UHFFFAOYSA-N 1 2 236.250 1.815 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000679680566 487817102 /nfs/dbraw/zinc/81/71/02/487817102.db2.gz JKBQKWIKFGQWFI-SNVBAGLBSA-N 1 2 245.273 1.624 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000679680566 487817107 /nfs/dbraw/zinc/81/71/07/487817107.db2.gz JKBQKWIKFGQWFI-SNVBAGLBSA-N 1 2 245.273 1.624 20 0 BDADLO CO[C@@H](C)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000782335499 585815494 /nfs/dbraw/zinc/81/54/94/585815494.db2.gz CLHWCHFFKPWBFV-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@@H](C)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000782335499 585815495 /nfs/dbraw/zinc/81/54/95/585815495.db2.gz CLHWCHFFKPWBFV-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CCn1ccc(NC(=O)Nc2cc[nH+]cc2C)n1 ZINC000666494957 487821556 /nfs/dbraw/zinc/82/15/56/487821556.db2.gz ZYJQRZYBAVKGNJ-UHFFFAOYSA-N 1 2 245.286 1.672 20 0 BDADLO Cc1cnc(CNc2nc(C)[nH+]cc2C)o1 ZINC000565842588 322944296 /nfs/dbraw/zinc/94/42/96/322944296.db2.gz GGZBLMNWNAIYTL-UHFFFAOYSA-N 1 2 218.260 1.424 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1coc(C2CC2)n1 ZINC000681634590 487826286 /nfs/dbraw/zinc/82/62/86/487826286.db2.gz TUAMPKMXAWVKKR-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000795090266 586068200 /nfs/dbraw/zinc/06/82/00/586068200.db2.gz MRMIEINHLVBCMG-MDHMXLOGSA-N 1 2 237.752 1.105 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000795090266 586068202 /nfs/dbraw/zinc/06/82/02/586068202.db2.gz MRMIEINHLVBCMG-MDHMXLOGSA-N 1 2 237.752 1.105 20 0 BDADLO CC(C)=CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492822067 527392573 /nfs/dbraw/zinc/39/25/73/527392573.db2.gz GXNCKDPNKSTRDI-WAYWQWQTSA-N 1 2 219.288 1.895 20 0 BDADLO CS[C@@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000840115902 586449377 /nfs/dbraw/zinc/44/93/77/586449377.db2.gz XSEGMATXBSUTSE-SECBINFHSA-N 1 2 231.752 1.931 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000840115902 586449379 /nfs/dbraw/zinc/44/93/79/586449379.db2.gz XSEGMATXBSUTSE-SECBINFHSA-N 1 2 231.752 1.931 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000674466863 487832498 /nfs/dbraw/zinc/83/24/98/487832498.db2.gz OWTYBXVOYNTUOB-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000674466863 487832503 /nfs/dbraw/zinc/83/25/03/487832503.db2.gz OWTYBXVOYNTUOB-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@H]2COC)no1 ZINC000674466873 487832863 /nfs/dbraw/zinc/83/28/63/487832863.db2.gz PAILQWBSBBNUSS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@H]2COC)no1 ZINC000674466873 487832870 /nfs/dbraw/zinc/83/28/70/487832870.db2.gz PAILQWBSBBNUSS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1cc(N[C@H](C)c2nnc(C)o2)nc[nH+]1 ZINC000676312994 487835528 /nfs/dbraw/zinc/83/55/28/487835528.db2.gz GWNJDUQDZIQGEH-SSDOTTSWSA-N 1 2 233.275 1.904 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(F)F ZINC000844557771 588202282 /nfs/dbraw/zinc/20/22/82/588202282.db2.gz SFTGAYLKMBKSIH-LURJTMIESA-N 1 2 217.219 1.345 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@@H]1CCOC1 ZINC000846810857 588290570 /nfs/dbraw/zinc/29/05/70/588290570.db2.gz GQOUQVXWLBFRDN-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@@H]1CCOC1 ZINC000846810857 588290571 /nfs/dbraw/zinc/29/05/71/588290571.db2.gz GQOUQVXWLBFRDN-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO CCN(CC)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000573105004 322950291 /nfs/dbraw/zinc/95/02/91/322950291.db2.gz XEELHQNRCJMTFA-UWVGGRQHSA-N 1 2 236.319 1.940 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1occc1Br ZINC000308347475 631292989 /nfs/dbraw/zinc/29/29/89/631292989.db2.gz WIMYFXNSBPJZKI-SSDOTTSWSA-N 1 2 248.120 1.855 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1occc1Br ZINC000308347475 631292997 /nfs/dbraw/zinc/29/29/97/631292997.db2.gz WIMYFXNSBPJZKI-SSDOTTSWSA-N 1 2 248.120 1.855 20 0 BDADLO CC[N@H+](CCOCCO)C/C(Cl)=C/Cl ZINC000308466046 631356360 /nfs/dbraw/zinc/35/63/60/631356360.db2.gz XGANJLSEUAEROK-CLFYSBASSA-N 1 2 242.146 1.636 20 0 BDADLO CC[N@@H+](CCOCCO)C/C(Cl)=C/Cl ZINC000308466046 631356365 /nfs/dbraw/zinc/35/63/65/631356365.db2.gz XGANJLSEUAEROK-CLFYSBASSA-N 1 2 242.146 1.636 20 0 BDADLO C[C@@](O)(C[NH2+][C@@H]1CCCC1(F)F)C(F)F ZINC000905263369 637718206 /nfs/dbraw/zinc/71/82/06/637718206.db2.gz UUHGBXBTIAIQID-HTRCEHHLSA-N 1 2 229.217 1.780 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCSC1 ZINC000558517407 322951322 /nfs/dbraw/zinc/95/13/22/322951322.db2.gz ZTQNYQQNQCVSNX-SECBINFHSA-N 1 2 239.344 1.212 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@H+](Cc2csnn2)C1 ZINC000395350321 487854935 /nfs/dbraw/zinc/85/49/35/487854935.db2.gz RLMVQWRMKPAEKE-JTQLQIEISA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2csnn2)C1 ZINC000395350321 487854941 /nfs/dbraw/zinc/85/49/41/487854941.db2.gz RLMVQWRMKPAEKE-JTQLQIEISA-N 1 2 241.360 1.521 20 0 BDADLO CCn1c[nH+]cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000668498627 487856438 /nfs/dbraw/zinc/85/64/38/487856438.db2.gz UXCWDIPCLMTNKA-JTQLQIEISA-N 1 2 245.273 1.105 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1nncs1 ZINC000666726366 487866197 /nfs/dbraw/zinc/86/61/97/487866197.db2.gz CKMTVKIKATVFNC-RNFRBKRXSA-N 1 2 249.299 1.014 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000676549026 487871353 /nfs/dbraw/zinc/87/13/53/487871353.db2.gz SUDAFIZVMHFABC-BDAKNGLRSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000676549026 487871357 /nfs/dbraw/zinc/87/13/57/487871357.db2.gz SUDAFIZVMHFABC-BDAKNGLRSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000684408819 487871372 /nfs/dbraw/zinc/87/13/72/487871372.db2.gz RVIJKYKHSYYDKW-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000684408819 487871378 /nfs/dbraw/zinc/87/13/78/487871378.db2.gz RVIJKYKHSYYDKW-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@H]2C)c(C)c[nH+]1 ZINC000676587785 487877734 /nfs/dbraw/zinc/87/77/34/487877734.db2.gz GKGRQBMRFJGVAW-XCBNKYQSSA-N 1 2 204.273 1.715 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCOC[C@@H]2C)o1 ZINC000676710949 487898963 /nfs/dbraw/zinc/89/89/63/487898963.db2.gz MZQANJJBUCDQIT-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCCOC[C@@H]2C)o1 ZINC000676710949 487898970 /nfs/dbraw/zinc/89/89/70/487898970.db2.gz MZQANJJBUCDQIT-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000676711863 487899003 /nfs/dbraw/zinc/89/90/03/487899003.db2.gz FFQSXNWTKVVMAH-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000676711863 487899014 /nfs/dbraw/zinc/89/90/14/487899014.db2.gz FFQSXNWTKVVMAH-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668536458 487900207 /nfs/dbraw/zinc/90/02/07/487900207.db2.gz UDVYIJOAQPKPJU-MXWKQRLJSA-N 1 2 233.315 1.505 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)C(C)C ZINC000652764338 487906802 /nfs/dbraw/zinc/90/68/02/487906802.db2.gz IFCPRWIDYRLSFJ-UHFFFAOYSA-N 1 2 223.320 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)C(C)C ZINC000652764338 487906807 /nfs/dbraw/zinc/90/68/07/487906807.db2.gz IFCPRWIDYRLSFJ-UHFFFAOYSA-N 1 2 223.320 1.811 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccco1 ZINC000654364656 487913180 /nfs/dbraw/zinc/91/31/80/487913180.db2.gz BYBXUOJIZLRLKT-VIFPVBQESA-N 1 2 233.271 1.498 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccco1 ZINC000654364656 487913191 /nfs/dbraw/zinc/91/31/91/487913191.db2.gz BYBXUOJIZLRLKT-VIFPVBQESA-N 1 2 233.271 1.498 20 0 BDADLO CCC[C@@H](O)CC(=O)Nc1c[nH+]ccc1OC ZINC000676745580 487914661 /nfs/dbraw/zinc/91/46/61/487914661.db2.gz HWRHRQJNEZLAKV-SECBINFHSA-N 1 2 238.287 1.580 20 0 BDADLO Cc1[nH]ncc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000668554976 487925470 /nfs/dbraw/zinc/92/54/70/487925470.db2.gz RPRVSRGPKJLSBB-IUCAKERBSA-N 1 2 223.320 1.167 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H]1COC(C)(C)C1 ZINC000396490121 487936079 /nfs/dbraw/zinc/93/60/79/487936079.db2.gz CAAZBBHNYLLVDA-JTQLQIEISA-N 1 2 245.326 1.975 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000676842022 487936286 /nfs/dbraw/zinc/93/62/86/487936286.db2.gz UVFSPZWTBDFXKA-PWSUYJOCSA-N 1 2 247.342 1.608 20 0 BDADLO CC(C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000676842521 487936989 /nfs/dbraw/zinc/93/69/89/487936989.db2.gz VFDUUKSMBWPPQN-LBPRGKRZSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1ncnn1C ZINC000308857943 487938897 /nfs/dbraw/zinc/93/88/97/487938897.db2.gz ULYKUALQEZZFSA-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(CO)o2)C[C@H]1F ZINC000679360866 487940589 /nfs/dbraw/zinc/94/05/89/487940589.db2.gz WCAKZKQOMMFZDD-BXKDBHETSA-N 1 2 227.279 1.952 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C[C@H]1F ZINC000679360866 487940592 /nfs/dbraw/zinc/94/05/92/487940592.db2.gz WCAKZKQOMMFZDD-BXKDBHETSA-N 1 2 227.279 1.952 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000667153801 487949322 /nfs/dbraw/zinc/94/93/22/487949322.db2.gz XAJGSNXOYJJBEP-MVWJERBFSA-N 1 2 247.342 1.686 20 0 BDADLO C[N@H+](Cc1cocn1)CC1=CCCOC1 ZINC000668568983 487949992 /nfs/dbraw/zinc/94/99/92/487949992.db2.gz QOGRFRVVZXLXEE-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO C[N@@H+](Cc1cocn1)CC1=CCCOC1 ZINC000668568983 487949996 /nfs/dbraw/zinc/94/99/96/487949996.db2.gz QOGRFRVVZXLXEE-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000682423756 487957007 /nfs/dbraw/zinc/95/70/07/487957007.db2.gz GRLBWWKJDQUKCG-LPWJVIDDSA-N 1 2 247.342 1.949 20 0 BDADLO CCCN(CC(F)F)C(=O)Cn1cc[nH+]c1 ZINC000569402518 322965266 /nfs/dbraw/zinc/96/52/66/322965266.db2.gz INCXJFUSCSZCGR-UHFFFAOYSA-N 1 2 231.246 1.387 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccn(C)n1 ZINC000560821326 322992617 /nfs/dbraw/zinc/99/26/17/322992617.db2.gz LHOPDBMXAXUKAO-SECBINFHSA-N 1 2 243.314 1.683 20 0 BDADLO Cn1cc[nH+]c1[C@H](Nc1ncc(F)cn1)C1CC1 ZINC000561356591 323000238 /nfs/dbraw/zinc/00/02/38/323000238.db2.gz SKWSHSIJUXUEAP-SNVBAGLBSA-N 1 2 247.277 1.912 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N(C)C)c2[nH+]ccn21 ZINC000566492251 323002459 /nfs/dbraw/zinc/00/24/59/323002459.db2.gz MTIPQAUOGIIRDI-HTQZYQBOSA-N 1 2 208.265 1.160 20 0 BDADLO CCCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000561973753 323009788 /nfs/dbraw/zinc/00/97/88/323009788.db2.gz FVEVZYPZOGXXDM-UHFFFAOYSA-N 1 2 248.317 1.880 20 0 BDADLO C[C@H]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000562265203 323014195 /nfs/dbraw/zinc/01/41/95/323014195.db2.gz KICQZRDXJOFBBD-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000564736665 323014725 /nfs/dbraw/zinc/01/47/25/323014725.db2.gz RIUQGLVJDUDQHO-UWVGGRQHSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000564736665 323014726 /nfs/dbraw/zinc/01/47/26/323014726.db2.gz RIUQGLVJDUDQHO-UWVGGRQHSA-N 1 2 235.331 1.845 20 0 BDADLO CC1(C)CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000562294339 323015218 /nfs/dbraw/zinc/01/52/18/323015218.db2.gz PORVYFJSRQJNQZ-UHFFFAOYSA-N 1 2 240.332 1.351 20 0 BDADLO CC1(C)CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000562294339 323015219 /nfs/dbraw/zinc/01/52/19/323015219.db2.gz PORVYFJSRQJNQZ-UHFFFAOYSA-N 1 2 240.332 1.351 20 0 BDADLO COC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCC1 ZINC000562332736 323016561 /nfs/dbraw/zinc/01/65/61/323016561.db2.gz LLKZQTBYLLADGI-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000562444126 323019934 /nfs/dbraw/zinc/01/99/34/323019934.db2.gz PTLNVIWWRLJEEA-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000562444126 323019935 /nfs/dbraw/zinc/01/99/35/323019935.db2.gz PTLNVIWWRLJEEA-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO O=C1NCC[C@H]1CC[N@@H+](CC(F)F)C1CC1 ZINC000562477160 323021396 /nfs/dbraw/zinc/02/13/96/323021396.db2.gz ADHXMGGLWWRFGL-QMMMGPOBSA-N 1 2 232.274 1.242 20 0 BDADLO O=C1NCC[C@H]1CC[N@H+](CC(F)F)C1CC1 ZINC000562477160 323021397 /nfs/dbraw/zinc/02/13/97/323021397.db2.gz ADHXMGGLWWRFGL-QMMMGPOBSA-N 1 2 232.274 1.242 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)[nH]1 ZINC000562707343 323028433 /nfs/dbraw/zinc/02/84/33/323028433.db2.gz GQSIOJYGNPQHJD-SVRRBLITSA-N 1 2 246.261 1.488 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](OC(F)F)C2)[nH]1 ZINC000562707343 323028434 /nfs/dbraw/zinc/02/84/34/323028434.db2.gz GQSIOJYGNPQHJD-SVRRBLITSA-N 1 2 246.261 1.488 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cscn1 ZINC000562738306 323029548 /nfs/dbraw/zinc/02/95/48/323029548.db2.gz HZJFTLIRWAMMNM-KHQFGBGNSA-N 1 2 228.317 1.208 20 0 BDADLO CCC1CN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000562861153 323032209 /nfs/dbraw/zinc/03/22/09/323032209.db2.gz LKIUPWVNBGXHFB-UHFFFAOYSA-N 1 2 233.315 1.994 20 0 BDADLO CCN1C[C@@H](C)[N@H+](Cc2ncccc2O)C[C@H]1C ZINC000562900960 323033089 /nfs/dbraw/zinc/03/30/89/323033089.db2.gz AOQHXPYICBPSLE-VXGBXAGGSA-N 1 2 249.358 1.702 20 0 BDADLO CCN1C[C@@H](C)[N@@H+](Cc2ncccc2O)C[C@H]1C ZINC000562900960 323033090 /nfs/dbraw/zinc/03/30/90/323033090.db2.gz AOQHXPYICBPSLE-VXGBXAGGSA-N 1 2 249.358 1.702 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)c(=O)[nH]1 ZINC000569953275 323045665 /nfs/dbraw/zinc/04/56/65/323045665.db2.gz MNAISIZGVBETNN-UHFFFAOYSA-N 1 2 246.270 1.010 20 0 BDADLO CCOCc1nc([C@@H](C)[NH2+]C[C@@H](O)CC)no1 ZINC000570155666 323051197 /nfs/dbraw/zinc/05/11/97/323051197.db2.gz QNIOBXAGXLOFHZ-BDAKNGLRSA-N 1 2 243.307 1.028 20 0 BDADLO O[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000570301232 323055708 /nfs/dbraw/zinc/05/57/08/323055708.db2.gz ZBFQURCSFYOCAA-LLVKDONJSA-N 1 2 248.330 1.402 20 0 BDADLO O[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000570301232 323055709 /nfs/dbraw/zinc/05/57/09/323055709.db2.gz ZBFQURCSFYOCAA-LLVKDONJSA-N 1 2 248.330 1.402 20 0 BDADLO c1nc(NC2CC2)cc(NC[C@@H]2CCCOC2)[nH+]1 ZINC000570379170 323057829 /nfs/dbraw/zinc/05/78/29/323057829.db2.gz ZQCGSJPBOKFOSZ-JTQLQIEISA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NC[C@@H]2CCCOC2)cc(NC2CC2)[nH+]1 ZINC000570379170 323057830 /nfs/dbraw/zinc/05/78/30/323057830.db2.gz ZQCGSJPBOKFOSZ-JTQLQIEISA-N 1 2 248.330 1.889 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C1CC1 ZINC000570407127 323058648 /nfs/dbraw/zinc/05/86/48/323058648.db2.gz JJCAEWZMGZUIEI-WCABBAIRSA-N 1 2 248.330 1.987 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]([C@H](C)O)C1 ZINC000160312464 323064628 /nfs/dbraw/zinc/06/46/28/323064628.db2.gz GSSVEJIZORVNRJ-VHSXEESVSA-N 1 2 222.288 1.297 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H]([C@H](C)O)C1 ZINC000160312765 323064693 /nfs/dbraw/zinc/06/46/93/323064693.db2.gz GSSVEJIZORVNRJ-UWVGGRQHSA-N 1 2 222.288 1.297 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncnc2)CC2(CCC2)O1 ZINC000570683932 323067062 /nfs/dbraw/zinc/06/70/62/323067062.db2.gz LRGGZLABFCTGPH-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncnc2)CC2(CCC2)O1 ZINC000570683932 323067063 /nfs/dbraw/zinc/06/70/63/323067063.db2.gz LRGGZLABFCTGPH-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H](C)c1ccon1 ZINC000570739052 323069093 /nfs/dbraw/zinc/06/90/93/323069093.db2.gz JHOVUNHWHXXXQC-LURJTMIESA-N 1 2 235.247 1.229 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H](C)c1ccon1 ZINC000570739052 323069094 /nfs/dbraw/zinc/06/90/94/323069094.db2.gz JHOVUNHWHXXXQC-LURJTMIESA-N 1 2 235.247 1.229 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCSC1 ZINC000570860453 323072766 /nfs/dbraw/zinc/07/27/66/323072766.db2.gz GYMXAZUZBFUSIM-DTWKUNHWSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCSC1 ZINC000570860453 323072767 /nfs/dbraw/zinc/07/27/67/323072767.db2.gz GYMXAZUZBFUSIM-DTWKUNHWSA-N 1 2 239.344 1.210 20 0 BDADLO COCc1noc(-c2ccn3c(C)c[nH+]c3c2)n1 ZINC000570942860 323076167 /nfs/dbraw/zinc/07/61/67/323076167.db2.gz VULRGLRWVLMKPG-UHFFFAOYSA-N 1 2 244.254 1.839 20 0 BDADLO NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000177307866 323077179 /nfs/dbraw/zinc/07/71/79/323077179.db2.gz CSEHSZCIARBZHT-UHFFFAOYSA-N 1 2 244.298 1.294 20 0 BDADLO C[N@H+](CC(=O)N1CCC1)Cc1cccc(O)c1 ZINC000531378907 323088513 /nfs/dbraw/zinc/08/85/13/323088513.db2.gz POHMWYBTWLSNBR-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO C[N@@H+](CC(=O)N1CCC1)Cc1cccc(O)c1 ZINC000531378907 323088514 /nfs/dbraw/zinc/08/85/14/323088514.db2.gz POHMWYBTWLSNBR-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCOC(C)(C)C)[nH+]1 ZINC000531433253 323089459 /nfs/dbraw/zinc/08/94/59/323089459.db2.gz JTAQNZZMRLRFTI-UHFFFAOYSA-N 1 2 248.330 1.915 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCC(=O)C1 ZINC000563181825 323100515 /nfs/dbraw/zinc/10/05/15/323100515.db2.gz JISWQFRTXTYUIN-VIFPVBQESA-N 1 2 247.298 1.455 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H](C)C2CCC2)c[nH+]1 ZINC000563194125 323101044 /nfs/dbraw/zinc/10/10/44/323101044.db2.gz KBPVZRLXQDVJJM-QMMMGPOBSA-N 1 2 248.330 1.250 20 0 BDADLO CC[C@@H](SC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000563201585 323101454 /nfs/dbraw/zinc/10/14/54/323101454.db2.gz ZPLRTVUHOADWHX-MRVPVSSYSA-N 1 2 225.317 1.574 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)no1 ZINC000531801472 323114126 /nfs/dbraw/zinc/11/41/26/323114126.db2.gz UVYUUFJSIQDSHY-WDEREUQCSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]3COCC[C@H]32)no1 ZINC000531801472 323114127 /nfs/dbraw/zinc/11/41/27/323114127.db2.gz UVYUUFJSIQDSHY-WDEREUQCSA-N 1 2 237.303 1.379 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cc(C)ncn1 ZINC000534328356 323116928 /nfs/dbraw/zinc/11/69/28/323116928.db2.gz IOPMWPGYXDQFRF-UHFFFAOYSA-N 1 2 242.282 1.417 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(=O)[nH]c1 ZINC000563395868 323122751 /nfs/dbraw/zinc/12/27/51/323122751.db2.gz TYTUPTZFQPKAHI-MRVPVSSYSA-N 1 2 246.270 1.328 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(=O)[nH]c1 ZINC000563395868 323122752 /nfs/dbraw/zinc/12/27/52/323122752.db2.gz TYTUPTZFQPKAHI-MRVPVSSYSA-N 1 2 246.270 1.328 20 0 BDADLO CC(=O)N1CC([NH2+][C@@H](C)c2csc(C)n2)C1 ZINC000563415848 323123476 /nfs/dbraw/zinc/12/34/76/323123476.db2.gz FLJQOXKXEATOQK-ZETCQYMHSA-N 1 2 239.344 1.333 20 0 BDADLO Cc1nc(CCN(C)c2nc(C)[nH+]cc2C)no1 ZINC000563421313 323124033 /nfs/dbraw/zinc/12/40/33/323124033.db2.gz SWZXLFHFXDZOIP-UHFFFAOYSA-N 1 2 247.302 1.464 20 0 BDADLO CCn1nccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563546868 323129865 /nfs/dbraw/zinc/12/98/65/323129865.db2.gz LKBMTHXRHIXILU-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO CCn1nccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563546868 323129866 /nfs/dbraw/zinc/12/98/66/323129866.db2.gz LKBMTHXRHIXILU-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000563560271 323130322 /nfs/dbraw/zinc/13/03/22/323130322.db2.gz HWASEEQTDZCKPD-SECBINFHSA-N 1 2 221.304 1.220 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563636031 323133031 /nfs/dbraw/zinc/13/30/31/323133031.db2.gz KHPDGWQEHALEBD-GHMZBOCLSA-N 1 2 237.347 1.997 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563636031 323133032 /nfs/dbraw/zinc/13/30/32/323133032.db2.gz KHPDGWQEHALEBD-GHMZBOCLSA-N 1 2 237.347 1.997 20 0 BDADLO C[C@@H](NC(=O)C1CCSCC1)c1[nH]cc[nH+]1 ZINC000402155587 323134294 /nfs/dbraw/zinc/13/42/94/323134294.db2.gz OQRNBXWUOPJLDL-MRVPVSSYSA-N 1 2 239.344 1.730 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1snnc1C ZINC000571094468 323135223 /nfs/dbraw/zinc/13/52/23/323135223.db2.gz OZDRAAXGQJTGJM-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1snnc1C ZINC000571094468 323135224 /nfs/dbraw/zinc/13/52/24/323135224.db2.gz OZDRAAXGQJTGJM-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cncnc2C)on1 ZINC000571224961 323138671 /nfs/dbraw/zinc/13/86/71/323138671.db2.gz OYCKSNZUJHONIZ-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC12CCCCC2 ZINC000531912884 323154181 /nfs/dbraw/zinc/15/41/81/323154181.db2.gz PYCFFQKEVDZGLF-JTQLQIEISA-N 1 2 233.315 1.996 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccoc2)on1 ZINC000048839351 323155974 /nfs/dbraw/zinc/15/59/74/323155974.db2.gz ZUBUEZDPXVUTHP-UHFFFAOYSA-N 1 2 249.270 1.647 20 0 BDADLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccoc2)on1 ZINC000048839351 323155975 /nfs/dbraw/zinc/15/59/75/323155975.db2.gz ZUBUEZDPXVUTHP-UHFFFAOYSA-N 1 2 249.270 1.647 20 0 BDADLO CCO[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535035353 323164146 /nfs/dbraw/zinc/16/41/46/323164146.db2.gz WQRFDYIFDFNDIC-SNVBAGLBSA-N 1 2 222.288 1.484 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC2(CCCCC2)C1 ZINC000075831993 323172076 /nfs/dbraw/zinc/17/20/76/323172076.db2.gz ZRAYLKUCOLNXPY-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075831993 323172077 /nfs/dbraw/zinc/17/20/77/323172077.db2.gz ZRAYLKUCOLNXPY-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1ccnc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075831993 323172078 /nfs/dbraw/zinc/17/20/78/323172078.db2.gz ZRAYLKUCOLNXPY-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO CCc1nn(C)c(CC)c1CNc1c[nH]c[nH+]1 ZINC000563791271 323178010 /nfs/dbraw/zinc/17/80/10/323178010.db2.gz SBPHPASUXJHFLP-UHFFFAOYSA-N 1 2 233.319 1.880 20 0 BDADLO CC(C)CCC[N@@H+]1CCn2nnc(CO)c2C1 ZINC000563815389 323178902 /nfs/dbraw/zinc/17/89/02/323178902.db2.gz NULWPAYJRLFMIZ-UHFFFAOYSA-N 1 2 238.335 1.022 20 0 BDADLO CC(C)CCC[N@H+]1CCn2nnc(CO)c2C1 ZINC000563815389 323178903 /nfs/dbraw/zinc/17/89/03/323178903.db2.gz NULWPAYJRLFMIZ-UHFFFAOYSA-N 1 2 238.335 1.022 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1ncnc2c1CCC2 ZINC000535759450 323190353 /nfs/dbraw/zinc/19/03/53/323190353.db2.gz FVUMHQYXBFIJJU-UHFFFAOYSA-N 1 2 243.314 1.335 20 0 BDADLO Cc1cc(NC(=O)C2(C)CC2)c(C)c[nH+]1 ZINC000535749260 323190429 /nfs/dbraw/zinc/19/04/29/323190429.db2.gz ZWSWVIQTGDNIRR-UHFFFAOYSA-N 1 2 204.273 1.859 20 0 BDADLO CCOC1(C)C[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000398853869 323193893 /nfs/dbraw/zinc/19/38/93/323193893.db2.gz SOXURJGMXNGWFL-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)s1 ZINC000536653683 323199556 /nfs/dbraw/zinc/19/95/56/323199556.db2.gz LAFWBQRSKQOKHV-VIFPVBQESA-N 1 2 238.356 1.631 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)s1 ZINC000536653683 323199557 /nfs/dbraw/zinc/19/95/57/323199557.db2.gz LAFWBQRSKQOKHV-VIFPVBQESA-N 1 2 238.356 1.631 20 0 BDADLO Cc1cnc(C)nc1NCCCCn1cc[nH+]c1 ZINC000563898638 323207513 /nfs/dbraw/zinc/20/75/13/323207513.db2.gz NGVMMQRTMGBFQT-UHFFFAOYSA-N 1 2 245.330 1.604 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@](C)(O)CC1 ZINC000230372702 323214115 /nfs/dbraw/zinc/21/41/15/323214115.db2.gz ABEWYMFKENOUQE-ZDUSSCGKSA-N 1 2 236.315 1.832 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)NCC1CC1 ZINC000042119184 323242565 /nfs/dbraw/zinc/24/25/65/323242565.db2.gz VMIGACFRAYXNBY-UHFFFAOYSA-N 1 2 243.310 1.871 20 0 BDADLO Cc1ccc(CC(=O)Nc2cc[nH+]cc2C)o1 ZINC000532802891 323300885 /nfs/dbraw/zinc/30/08/85/323300885.db2.gz QDUPPLOUXIDBAT-UHFFFAOYSA-N 1 2 230.267 1.895 20 0 BDADLO Cc1nc(NCC[C@@H]2CCCOC2)cc[nH+]1 ZINC000528073811 323759717 /nfs/dbraw/zinc/75/97/17/323759717.db2.gz NGOCVRXAGDARSC-NSHDSACASA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H](NC(=O)NC1(C2CC2)CC1)c1[nH+]ccn1C ZINC000667252258 487961693 /nfs/dbraw/zinc/96/16/93/487961693.db2.gz DNJDUQVWNLJFFZ-VIFPVBQESA-N 1 2 248.330 1.723 20 0 BDADLO C[C@H](NC(=O)N1CC[C@@H]1C1CC1)c1[nH+]ccn1C ZINC000667248966 487961553 /nfs/dbraw/zinc/96/15/53/487961553.db2.gz JXGUZDDARYYJIT-GXSJLCMTSA-N 1 2 248.330 1.675 20 0 BDADLO CCC1(NC(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000667249058 487962255 /nfs/dbraw/zinc/96/22/55/487962255.db2.gz LWFJYMRTEQLJQR-SECBINFHSA-N 1 2 236.319 1.723 20 0 BDADLO OCCCOc1ccccc1-n1cc[nH+]c1 ZINC000537348380 324066824 /nfs/dbraw/zinc/06/68/24/324066824.db2.gz DFRHQHVZTUPVQM-UHFFFAOYSA-N 1 2 218.256 1.634 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnn(C)c2C)cn1 ZINC000537623731 324088171 /nfs/dbraw/zinc/08/81/71/324088171.db2.gz NUEUSXNVIJTMPA-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnn(C)c2C)cn1 ZINC000537623731 324088174 /nfs/dbraw/zinc/08/81/74/324088174.db2.gz NUEUSXNVIJTMPA-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC2(CCC2)C1 ZINC000520865085 324176660 /nfs/dbraw/zinc/17/66/60/324176660.db2.gz NKKZUNNSZVSUME-UHFFFAOYSA-N 1 2 233.315 1.365 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCS1 ZINC000564195823 324209263 /nfs/dbraw/zinc/20/92/63/324209263.db2.gz KUABUMYYFPXJKN-JTQLQIEISA-N 1 2 239.344 1.285 20 0 BDADLO Cc1cc(NC(=O)NCC2CC=CC2)cc[nH+]1 ZINC000529042396 324237212 /nfs/dbraw/zinc/23/72/12/324237212.db2.gz RIMQXAHZIOGGAJ-UHFFFAOYSA-N 1 2 231.299 1.900 20 0 BDADLO Cc1cocc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000529066221 324241783 /nfs/dbraw/zinc/24/17/83/324241783.db2.gz BWLVJJJDCWMOBS-UHFFFAOYSA-N 1 2 222.288 1.410 20 0 BDADLO O=C(NCC1COC1)Nc1ccn2cc[nH+]c2c1 ZINC000529095106 324245872 /nfs/dbraw/zinc/24/58/72/324245872.db2.gz RBZUYHNTZHWALT-UHFFFAOYSA-N 1 2 246.270 1.102 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1ccc(F)cn1 ZINC000529578974 324350112 /nfs/dbraw/zinc/35/01/12/324350112.db2.gz NCKUOSQPKDMMIO-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC(=O)N1 ZINC000529597039 324358051 /nfs/dbraw/zinc/35/80/51/324358051.db2.gz VCKNCRSPNVFOBE-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC(=O)N1 ZINC000529597039 324358054 /nfs/dbraw/zinc/35/80/54/324358054.db2.gz VCKNCRSPNVFOBE-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC(=O)N1 ZINC000529597038 324358303 /nfs/dbraw/zinc/35/83/03/324358303.db2.gz VCKNCRSPNVFOBE-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC(=O)N1 ZINC000529597038 324358307 /nfs/dbraw/zinc/35/83/07/324358307.db2.gz VCKNCRSPNVFOBE-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccn(C)n1 ZINC000529604801 324361832 /nfs/dbraw/zinc/36/18/32/324361832.db2.gz NZIYQEDAHIMLFQ-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CCn1ncc(C[NH+]2CC(Cc3ccco3)C2)n1 ZINC000529650328 324371776 /nfs/dbraw/zinc/37/17/76/324371776.db2.gz ZBCPOXDMWMELLB-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1CC=CC1 ZINC000529710917 324385394 /nfs/dbraw/zinc/38/53/94/324385394.db2.gz XELONTCNFALGLM-UHFFFAOYSA-N 1 2 219.288 1.343 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1CC=CC1 ZINC000529710917 324385396 /nfs/dbraw/zinc/38/53/96/324385396.db2.gz XELONTCNFALGLM-UHFFFAOYSA-N 1 2 219.288 1.343 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH2+]CC(F)(F)CO)OC ZINC000639053439 487965286 /nfs/dbraw/zinc/96/52/86/487965286.db2.gz HJNRZFVGFAXUPT-RKDXNWHRSA-N 1 2 225.279 1.265 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC[C@@H]1CCOC1 ZINC000542404605 325024676 /nfs/dbraw/zinc/02/46/76/325024676.db2.gz DKCJKWAJFITJHO-LLVKDONJSA-N 1 2 249.314 1.360 20 0 BDADLO CCC(CC)C(=O)NCCc1c[nH+]cn1C ZINC000542475415 325029673 /nfs/dbraw/zinc/02/96/73/325029673.db2.gz ZHYQCVNWPCAHSB-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nncn1C ZINC000543050946 325068839 /nfs/dbraw/zinc/06/88/39/325068839.db2.gz OCDQLDACTBFRAB-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO CC(C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682454138 487966854 /nfs/dbraw/zinc/96/68/54/487966854.db2.gz HPXINMTVXBPZMG-GFCCVEGCSA-N 1 2 249.358 1.950 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC1CC1 ZINC000565187333 325095744 /nfs/dbraw/zinc/09/57/44/325095744.db2.gz FLTVWGPWOJUXDW-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC1CC1 ZINC000565187333 325095748 /nfs/dbraw/zinc/09/57/48/325095748.db2.gz FLTVWGPWOJUXDW-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CCOC2)c(C)c[nH+]1 ZINC000544411936 325141859 /nfs/dbraw/zinc/14/18/59/325141859.db2.gz KODCNEXICRLAEK-CYBMUJFWSA-N 1 2 234.299 1.485 20 0 BDADLO CN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000131509877 325157857 /nfs/dbraw/zinc/15/78/57/325157857.db2.gz VJZDOWBVAWNQJS-UHFFFAOYSA-N 1 2 224.270 1.966 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)CC1(O)CCC1 ZINC000545384787 325217703 /nfs/dbraw/zinc/21/77/03/325217703.db2.gz GEGFBSGZDUFBOT-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)CC1(O)CCC1 ZINC000545384787 325217709 /nfs/dbraw/zinc/21/77/09/325217709.db2.gz GEGFBSGZDUFBOT-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO c1cn(CCc2nc([C@H]3CCCO3)no2)c[nH+]1 ZINC000547180819 325330166 /nfs/dbraw/zinc/33/01/66/325330166.db2.gz IBOLGOIIIXVLKV-SECBINFHSA-N 1 2 234.259 1.360 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1CCSCC1 ZINC000133970560 325334725 /nfs/dbraw/zinc/33/47/25/325334725.db2.gz TXQBCLKOCSRNFM-UHFFFAOYSA-N 1 2 249.343 1.671 20 0 BDADLO CCOC(=O)CCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000547298848 325334760 /nfs/dbraw/zinc/33/47/60/325334760.db2.gz BUUZXCNGSURHKZ-NSHDSACASA-N 1 2 245.319 1.117 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000547422211 325352897 /nfs/dbraw/zinc/35/28/97/325352897.db2.gz CYUVZNNDWGYAIR-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000547422211 325352900 /nfs/dbraw/zinc/35/29/00/325352900.db2.gz CYUVZNNDWGYAIR-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO Cc1cc(C)cc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000134490391 325361097 /nfs/dbraw/zinc/36/10/97/325361097.db2.gz YWXGBQLFIZMDDO-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000134495962 325361430 /nfs/dbraw/zinc/36/14/30/325361430.db2.gz OWOGXVJYCBBIKP-UHFFFAOYSA-N 1 2 233.246 1.521 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccco2)s1 ZINC000134663746 325370836 /nfs/dbraw/zinc/37/08/36/325370836.db2.gz OJYSYIALOKQFPZ-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(O)cc1 ZINC000547605462 325374577 /nfs/dbraw/zinc/37/45/77/325374577.db2.gz BBUCURPLBGNAKU-UHFFFAOYSA-N 1 2 231.255 1.307 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC[C@H]1C ZINC000134888235 325381303 /nfs/dbraw/zinc/38/13/03/325381303.db2.gz MVJLBLVHQQPJII-SFYZADRCSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC[C@H]1C ZINC000134888235 325381304 /nfs/dbraw/zinc/38/13/04/325381304.db2.gz MVJLBLVHQQPJII-SFYZADRCSA-N 1 2 222.292 1.668 20 0 BDADLO CC1(CO)CC[NH+](Cc2csnn2)CC1 ZINC000135038648 325390076 /nfs/dbraw/zinc/39/00/76/325390076.db2.gz QPUXYDYIPCERCK-UHFFFAOYSA-N 1 2 227.333 1.133 20 0 BDADLO Cc1cccc2[nH+]c(CNc3cccnn3)cn21 ZINC000547760645 325393199 /nfs/dbraw/zinc/39/31/99/325393199.db2.gz QRDYWYWPZJIWPR-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000135181703 325399483 /nfs/dbraw/zinc/39/94/83/325399483.db2.gz ZVUWGVBRNNNQEZ-NEPJUHHUSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547864565 325410190 /nfs/dbraw/zinc/41/01/90/325410190.db2.gz JTLGYFMXVXOVKC-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO CCc1nc(C(=O)NCc2[nH]c[nH+]c2C)co1 ZINC000548126061 325433543 /nfs/dbraw/zinc/43/35/43/325433543.db2.gz GBSGKZUIERSIRX-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CC[C@H](C)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000136020693 325437555 /nfs/dbraw/zinc/43/75/55/325437555.db2.gz RQKBQTADNJZBEP-FGEFZZPRSA-N 1 2 221.304 1.831 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N(CC(F)F)C1CC1 ZINC000548520652 325466291 /nfs/dbraw/zinc/46/62/91/325466291.db2.gz MMHXEIORQLNYAM-UHFFFAOYSA-N 1 2 243.257 1.219 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC(C)(C)C1 ZINC000548520671 325466257 /nfs/dbraw/zinc/46/62/57/325466257.db2.gz VATHLNYXCSBJRQ-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO CCc1nc(C)c(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000550963753 325544734 /nfs/dbraw/zinc/54/47/34/325544734.db2.gz YMOLELPAOFAGGO-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000552971026 325671243 /nfs/dbraw/zinc/67/12/43/325671243.db2.gz BVNXTAZKXPJFSE-GFCCVEGCSA-N 1 2 249.358 1.950 20 0 BDADLO c1c[nH+]c(COCCOC[C@H]2CCCO2)[nH]1 ZINC000553846309 325700256 /nfs/dbraw/zinc/70/02/56/325700256.db2.gz FCIKPGFSRNJPAQ-SNVBAGLBSA-N 1 2 226.276 1.122 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nccn1C ZINC000553878147 325700799 /nfs/dbraw/zinc/70/07/99/325700799.db2.gz UAZSDCIANCZNQX-ZDUSSCGKSA-N 1 2 245.326 1.552 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC2(CC2)C1 ZINC000400034020 487969249 /nfs/dbraw/zinc/96/92/49/487969249.db2.gz IRECRUHAMWRDRB-UHFFFAOYSA-N 1 2 220.276 1.058 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC2(CC2)C1 ZINC000400034020 487969251 /nfs/dbraw/zinc/96/92/51/487969251.db2.gz IRECRUHAMWRDRB-UHFFFAOYSA-N 1 2 220.276 1.058 20 0 BDADLO Cc1cncc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC000555242037 325750763 /nfs/dbraw/zinc/75/07/63/325750763.db2.gz BSLAPGLEPPXKDM-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)C1CCC1 ZINC000565227436 325881386 /nfs/dbraw/zinc/88/13/86/325881386.db2.gz WUQCPELFGQTQBJ-LLVKDONJSA-N 1 2 221.304 1.088 20 0 BDADLO C[C@@H](CC(=O)NCc1ccco1)n1cc[nH+]c1 ZINC000565718572 325948604 /nfs/dbraw/zinc/94/86/04/325948604.db2.gz NXZKDHRXQLXPEP-JTQLQIEISA-N 1 2 233.271 1.744 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(CF)CCC1 ZINC000565893547 325970779 /nfs/dbraw/zinc/97/07/79/325970779.db2.gz FIQILBVYYSCDDL-UHFFFAOYSA-N 1 2 225.267 1.508 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2cccc(C)n2)no1 ZINC000566169899 326006392 /nfs/dbraw/zinc/00/63/92/326006392.db2.gz IRYLDIKUJRKCLZ-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2cccc(C)n2)no1 ZINC000566169899 326006395 /nfs/dbraw/zinc/00/63/95/326006395.db2.gz IRYLDIKUJRKCLZ-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO C[C@H](CC(=O)N1CCOCC12CC2)n1cc[nH+]c1 ZINC000566304221 326031328 /nfs/dbraw/zinc/03/13/28/326031328.db2.gz MGUCCCWOIYKEGF-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(CNC(=O)C(C)(C)CO)cc(C)[nH+]1 ZINC000566466145 326051652 /nfs/dbraw/zinc/05/16/52/326051652.db2.gz KULBLZHWHKKUCU-UHFFFAOYSA-N 1 2 236.315 1.333 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1nncn1C1CC1 ZINC000566479277 326055313 /nfs/dbraw/zinc/05/53/13/326055313.db2.gz WZOSDUZLIQGMEG-UHFFFAOYSA-N 1 2 244.302 1.054 20 0 BDADLO Cc1noc([C@H](C)N(C)c2cc[nH+]c(C)n2)n1 ZINC000566481801 326055768 /nfs/dbraw/zinc/05/57/68/326055768.db2.gz BXPYJMRGHVTAQC-ZETCQYMHSA-N 1 2 233.275 1.674 20 0 BDADLO c1nnc([C@H]([NH2+]CC2CC2)c2cccnc2)[nH]1 ZINC000566575972 326065955 /nfs/dbraw/zinc/06/59/55/326065955.db2.gz LUGKJPVSWPVVQQ-LLVKDONJSA-N 1 2 229.287 1.289 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000566625051 326069374 /nfs/dbraw/zinc/06/93/74/326069374.db2.gz HCCKNXHSAJYYEN-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000566625051 326069376 /nfs/dbraw/zinc/06/93/76/326069376.db2.gz HCCKNXHSAJYYEN-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO C[C@H]1c2ccccc2CN1C(=O)Cn1cc[nH+]c1 ZINC000566641575 326071275 /nfs/dbraw/zinc/07/12/75/326071275.db2.gz OSSXTYDABNKROE-NSHDSACASA-N 1 2 241.294 1.987 20 0 BDADLO CC(C)C1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000566806012 326084910 /nfs/dbraw/zinc/08/49/10/326084910.db2.gz NLCMCQAPMVOGJH-JTQLQIEISA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)C1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000566806012 326084913 /nfs/dbraw/zinc/08/49/13/326084913.db2.gz NLCMCQAPMVOGJH-JTQLQIEISA-N 1 2 235.331 1.893 20 0 BDADLO CNC(=O)CCC[N@H+](CC(F)F)C1CC1 ZINC000566834989 326086607 /nfs/dbraw/zinc/08/66/07/326086607.db2.gz XPVKUCDGJCUTOH-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CNC(=O)CCC[N@@H+](CC(F)F)C1CC1 ZINC000566834989 326086610 /nfs/dbraw/zinc/08/66/10/326086610.db2.gz XPVKUCDGJCUTOH-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CO[C@@H]1COC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000566853666 326088248 /nfs/dbraw/zinc/08/82/48/326088248.db2.gz ZSBFVVVPCBPBAO-ZYHUDNBSSA-N 1 2 247.298 1.399 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]1C1CC1 ZINC000572578470 326091808 /nfs/dbraw/zinc/09/18/08/326091808.db2.gz JPTXGXJXEPBBFE-JQWIXIFHSA-N 1 2 248.330 1.466 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC=CCC1 ZINC000566925219 326095130 /nfs/dbraw/zinc/09/51/30/326095130.db2.gz ZXTXZTZIBLBJPW-WDEREUQCSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC=CCC1 ZINC000566925219 326095132 /nfs/dbraw/zinc/09/51/32/326095132.db2.gz ZXTXZTZIBLBJPW-WDEREUQCSA-N 1 2 233.315 1.813 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)nc1 ZINC000153843973 326115533 /nfs/dbraw/zinc/11/55/33/326115533.db2.gz YSKHXSAREFMTCB-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153843973 326115534 /nfs/dbraw/zinc/11/55/34/326115534.db2.gz YSKHXSAREFMTCB-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cncc(C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC000567177053 326129828 /nfs/dbraw/zinc/12/98/28/326129828.db2.gz YGROPRZXJLRVTQ-UHFFFAOYSA-N 1 2 233.359 1.916 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC000567177053 326129830 /nfs/dbraw/zinc/12/98/30/326129830.db2.gz YGROPRZXJLRVTQ-UHFFFAOYSA-N 1 2 233.359 1.916 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccon1 ZINC000309765667 326167644 /nfs/dbraw/zinc/16/76/44/326167644.db2.gz JNGLCHASRQCXDO-MRVPVSSYSA-N 1 2 222.244 1.611 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccc[nH]1 ZINC000567486255 326202544 /nfs/dbraw/zinc/20/25/44/326202544.db2.gz CBLLKHBLDAEANJ-UHFFFAOYSA-N 1 2 218.260 1.161 20 0 BDADLO CO[C@H](CC(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567519745 326209417 /nfs/dbraw/zinc/20/94/17/326209417.db2.gz PIDMDSZSXPFMBN-NXEZZACHSA-N 1 2 239.319 1.648 20 0 BDADLO Cc1cc(N[C@H]2CO[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000567768603 326256789 /nfs/dbraw/zinc/25/67/89/326256789.db2.gz SCIDXZQFFBHNDA-GXSJLCMTSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)nc1 ZINC000157147878 326258640 /nfs/dbraw/zinc/25/86/40/326258640.db2.gz AMBDWOZKJCXSSI-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)nc1 ZINC000157147878 326258642 /nfs/dbraw/zinc/25/86/42/326258642.db2.gz AMBDWOZKJCXSSI-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ncc(C)s1 ZINC000157307812 326266262 /nfs/dbraw/zinc/26/62/62/326266262.db2.gz VDLWWKILKYRJHG-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ncc(C)s1 ZINC000157307812 326266264 /nfs/dbraw/zinc/26/62/64/326266264.db2.gz VDLWWKILKYRJHG-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO COCC1(CC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000567919002 326283331 /nfs/dbraw/zinc/28/33/31/326283331.db2.gz NVNFOBYHAPUYSM-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO CCOC(=O)CN(C)Cc1c[nH+]c2ccccn12 ZINC000157828586 326297398 /nfs/dbraw/zinc/29/73/98/326297398.db2.gz QFGWRYXDQOKAME-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO CC(C)(NC(=O)c1ncccc1O)c1[nH]cc[nH+]1 ZINC000568069735 326303681 /nfs/dbraw/zinc/30/36/81/326303681.db2.gz NPVABYVXPLRAPP-UHFFFAOYSA-N 1 2 246.270 1.175 20 0 BDADLO Cc1cnc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000568096471 326307647 /nfs/dbraw/zinc/30/76/47/326307647.db2.gz CXQFJKWIPHRYPW-SECBINFHSA-N 1 2 248.286 1.447 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568185051 326322712 /nfs/dbraw/zinc/32/27/12/326322712.db2.gz RMPZXSBXYCSXPA-BDAKNGLRSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568185051 326322713 /nfs/dbraw/zinc/32/27/13/326322713.db2.gz RMPZXSBXYCSXPA-BDAKNGLRSA-N 1 2 209.293 1.503 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C=CCCC1 ZINC000568198155 326325038 /nfs/dbraw/zinc/32/50/38/326325038.db2.gz UZHNASVVSLGJOO-WDEREUQCSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C=CCCC1 ZINC000568198155 326325040 /nfs/dbraw/zinc/32/50/40/326325040.db2.gz UZHNASVVSLGJOO-WDEREUQCSA-N 1 2 233.315 1.813 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568234447 326331019 /nfs/dbraw/zinc/33/10/19/326331019.db2.gz PIEAVZSOYHUWMU-IVZWLZJFSA-N 1 2 239.319 1.648 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)Cc2cc[nH]c2)n1 ZINC000568253564 326335593 /nfs/dbraw/zinc/33/55/93/326335593.db2.gz SCKBQKKEPXZCES-QMMMGPOBSA-N 1 2 220.276 1.899 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)Cc2cc[nH]c2)n1 ZINC000568253564 326335595 /nfs/dbraw/zinc/33/55/95/326335595.db2.gz SCKBQKKEPXZCES-QMMMGPOBSA-N 1 2 220.276 1.899 20 0 BDADLO Cn1ccc(C[NH+]2CC(CC(F)F)C2)n1 ZINC000568386038 326352475 /nfs/dbraw/zinc/35/24/75/326352475.db2.gz KMRNJUIUNSMNHM-UHFFFAOYSA-N 1 2 215.247 1.507 20 0 BDADLO Cc1cnccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568409547 326355377 /nfs/dbraw/zinc/35/53/77/326355377.db2.gz LAHQSFGSVRGTQP-UHFFFAOYSA-N 1 2 233.315 1.092 20 0 BDADLO CCc1cccnc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568531907 326363977 /nfs/dbraw/zinc/36/39/77/326363977.db2.gz SREVVJUUBPBKCN-SECBINFHSA-N 1 2 244.298 1.858 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)CC1(C)C ZINC000568531193 326364046 /nfs/dbraw/zinc/36/40/46/326364046.db2.gz XDBQKNPOILMRMC-SECBINFHSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)CC1(C)C ZINC000568531193 326364049 /nfs/dbraw/zinc/36/40/49/326364049.db2.gz XDBQKNPOILMRMC-SECBINFHSA-N 1 2 249.314 1.168 20 0 BDADLO CCC1(CNC(=O)Nc2cc[nH+]c(C)c2)COC1 ZINC000568595383 326366590 /nfs/dbraw/zinc/36/65/90/326366590.db2.gz JCDYIWVLZGHNAZ-UHFFFAOYSA-N 1 2 249.314 1.360 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)C[C@H](C)O ZINC000164921465 326418528 /nfs/dbraw/zinc/41/85/28/326418528.db2.gz RQZLRBTVVBETBS-BDAKNGLRSA-N 1 2 210.277 1.662 20 0 BDADLO COC[C@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000572925859 326419164 /nfs/dbraw/zinc/41/91/64/326419164.db2.gz XWFBFZCELKVCPA-LBPRGKRZSA-N 1 2 235.331 1.956 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2ccncc2)C1 ZINC000425507895 487973794 /nfs/dbraw/zinc/97/37/94/487973794.db2.gz GMYJXUXPQLHMCU-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2ccncc2)C1 ZINC000425507895 487973795 /nfs/dbraw/zinc/97/37/95/487973795.db2.gz GMYJXUXPQLHMCU-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC000682533161 487980062 /nfs/dbraw/zinc/98/00/62/487980062.db2.gz WDTGZIZRMRWJEM-NXEZZACHSA-N 1 2 246.318 1.325 20 0 BDADLO CC[C@@H](C)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547351 487982484 /nfs/dbraw/zinc/98/24/84/487982484.db2.gz RELJXRHCJBZFBJ-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547351 487982488 /nfs/dbraw/zinc/98/24/88/487982488.db2.gz RELJXRHCJBZFBJ-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO O[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CC(F)(F)C1 ZINC000682545143 487983752 /nfs/dbraw/zinc/98/37/52/487983752.db2.gz ASLVQRNOGNLCPH-QWRGUYRKSA-N 1 2 249.301 1.648 20 0 BDADLO O[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC(F)(F)C1 ZINC000682545143 487983754 /nfs/dbraw/zinc/98/37/54/487983754.db2.gz ASLVQRNOGNLCPH-QWRGUYRKSA-N 1 2 249.301 1.648 20 0 BDADLO COCC[C@@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544362 487983155 /nfs/dbraw/zinc/98/31/55/487983155.db2.gz QGROXXDMOZNKJY-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544362 487983160 /nfs/dbraw/zinc/98/31/60/487983160.db2.gz QGROXXDMOZNKJY-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220516794 487986434 /nfs/dbraw/zinc/98/64/34/487986434.db2.gz JBEOFNQMVFYIIZ-WDEREUQCSA-N 1 2 247.342 1.916 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220516794 487986442 /nfs/dbraw/zinc/98/64/42/487986442.db2.gz JBEOFNQMVFYIIZ-WDEREUQCSA-N 1 2 247.342 1.916 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](O)CC(F)(F)C1 ZINC000682548500 487986829 /nfs/dbraw/zinc/98/68/29/487986829.db2.gz YFNIXUKVAPOOJH-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO CCCN(CC)c1nc[nH+]c2c1OCCN2 ZINC000665704612 487995208 /nfs/dbraw/zinc/99/52/08/487995208.db2.gz AKIPKCITKXORKY-UHFFFAOYSA-N 1 2 222.292 1.517 20 0 BDADLO CCCN(CC)c1[nH+]cnc2c1OCCN2 ZINC000665704612 487995210 /nfs/dbraw/zinc/99/52/10/487995210.db2.gz AKIPKCITKXORKY-UHFFFAOYSA-N 1 2 222.292 1.517 20 0 BDADLO Cn1cnnc1C[N@H+](C)Cc1cccc(N)c1 ZINC000310096882 487997057 /nfs/dbraw/zinc/99/70/57/487997057.db2.gz VSOAGKKSUDXOSD-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BDADLO Cn1cnnc1C[N@@H+](C)Cc1cccc(N)c1 ZINC000310096882 487997067 /nfs/dbraw/zinc/99/70/67/487997067.db2.gz VSOAGKKSUDXOSD-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](C)C1 ZINC000134808184 487999154 /nfs/dbraw/zinc/99/91/54/487999154.db2.gz GUEMVTQEMAZXEE-MRVPVSSYSA-N 1 2 222.292 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](C)C1 ZINC000134808184 487999162 /nfs/dbraw/zinc/99/91/62/487999162.db2.gz GUEMVTQEMAZXEE-MRVPVSSYSA-N 1 2 222.292 1.304 20 0 BDADLO CCc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ncn1 ZINC000677232020 488002207 /nfs/dbraw/zinc/00/22/07/488002207.db2.gz OVBOMPVCSVWELX-SNVBAGLBSA-N 1 2 243.314 1.732 20 0 BDADLO CCc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000677232020 488002210 /nfs/dbraw/zinc/00/22/10/488002210.db2.gz OVBOMPVCSVWELX-SNVBAGLBSA-N 1 2 243.314 1.732 20 0 BDADLO OC[C@@H](CC1CC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000677237526 488004341 /nfs/dbraw/zinc/00/43/41/488004341.db2.gz UXGYTRZTKNQMNI-LLVKDONJSA-N 1 2 233.315 1.927 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCCO)s1 ZINC000682649721 488007287 /nfs/dbraw/zinc/00/72/87/488007287.db2.gz SCTSSMIPCLPJND-UHFFFAOYSA-N 1 2 229.349 1.305 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCCO)s1 ZINC000682649721 488007294 /nfs/dbraw/zinc/00/72/94/488007294.db2.gz SCTSSMIPCLPJND-UHFFFAOYSA-N 1 2 229.349 1.305 20 0 BDADLO CCN1OC[C@H]([N@H+](CC)Cc2ccccc2)C1=O ZINC000682675871 488011715 /nfs/dbraw/zinc/01/17/15/488011715.db2.gz OLOXLQVFGSPYJW-ZDUSSCGKSA-N 1 2 248.326 1.671 20 0 BDADLO CCN1OC[C@H]([N@@H+](CC)Cc2ccccc2)C1=O ZINC000682675871 488011721 /nfs/dbraw/zinc/01/17/21/488011721.db2.gz OLOXLQVFGSPYJW-ZDUSSCGKSA-N 1 2 248.326 1.671 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccon1 ZINC000677321215 488016385 /nfs/dbraw/zinc/01/63/85/488016385.db2.gz FFYFIOCQIBKEFD-UHFFFAOYSA-N 1 2 248.330 1.823 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCNC(=O)C2)c(C)c1 ZINC000667475611 488020476 /nfs/dbraw/zinc/02/04/76/488020476.db2.gz WXFDBFHHBIOMPN-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO CCOc1ccc(C[N@H+]2CCNC(=O)C2)c(C)c1 ZINC000667475611 488020478 /nfs/dbraw/zinc/02/04/78/488020478.db2.gz WXFDBFHHBIOMPN-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO O=C(c1cccnc1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785583 488022783 /nfs/dbraw/zinc/02/27/83/488022783.db2.gz NJYIVKAXQJASAP-UHFFFAOYSA-N 1 2 228.255 1.003 20 0 BDADLO O=C(c1cccnc1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785583 488022786 /nfs/dbraw/zinc/02/27/86/488022786.db2.gz NJYIVKAXQJASAP-UHFFFAOYSA-N 1 2 228.255 1.003 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)C2CCC2)c[nH+]1 ZINC000677342811 488023195 /nfs/dbraw/zinc/02/31/95/488023195.db2.gz CJLZLKFMZZZSPW-ZETCQYMHSA-N 1 2 207.277 1.637 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667494001 488027529 /nfs/dbraw/zinc/02/75/29/488027529.db2.gz KHHTXSHAKFAQPS-GFCCVEGCSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667494001 488027533 /nfs/dbraw/zinc/02/75/33/488027533.db2.gz KHHTXSHAKFAQPS-GFCCVEGCSA-N 1 2 249.358 1.908 20 0 BDADLO CCCn1nccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000667517995 488036941 /nfs/dbraw/zinc/03/69/41/488036941.db2.gz LSZMEJKWSVGQHX-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000667517995 488036943 /nfs/dbraw/zinc/03/69/43/488036943.db2.gz LSZMEJKWSVGQHX-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC1(C)CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000667530533 488039031 /nfs/dbraw/zinc/03/90/31/488039031.db2.gz ADRSSRRVVYZGGB-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)N(C)C1CC1 ZINC000670078642 488060332 /nfs/dbraw/zinc/06/03/32/488060332.db2.gz MRBYXWOIOHIDBK-UHFFFAOYSA-N 1 2 234.303 1.196 20 0 BDADLO CN(C)c1ccc(CNC(=O)c2cnco2)c[nH+]1 ZINC000677513847 488061527 /nfs/dbraw/zinc/06/15/27/488061527.db2.gz VRBDDTOYUGVQJS-UHFFFAOYSA-N 1 2 246.270 1.066 20 0 BDADLO CC(=O)N1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000656200976 488067641 /nfs/dbraw/zinc/06/76/41/488067641.db2.gz GYQOZAQRJZYNDG-UHFFFAOYSA-N 1 2 246.314 1.305 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)NCC1(C)CC1 ZINC000670082550 488068859 /nfs/dbraw/zinc/06/88/59/488068859.db2.gz XNHUSJMDZYEIKT-UHFFFAOYSA-N 1 2 248.330 1.491 20 0 BDADLO CCN(C)c1ccc(C[NH2+]Cc2cocn2)cn1 ZINC000682941207 488069014 /nfs/dbraw/zinc/06/90/14/488069014.db2.gz YAEPUEOVUQRHSQ-UHFFFAOYSA-N 1 2 246.314 1.816 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)ccn1 ZINC000683000869 488082726 /nfs/dbraw/zinc/08/27/26/488082726.db2.gz HOMNIIOBXUIEFV-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C)ccn1 ZINC000683000869 488082731 /nfs/dbraw/zinc/08/27/31/488082731.db2.gz HOMNIIOBXUIEFV-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCn1ccc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000683000106 488083249 /nfs/dbraw/zinc/08/32/49/488083249.db2.gz QNIANWQPLDVKTQ-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000683000106 488083252 /nfs/dbraw/zinc/08/32/52/488083252.db2.gz QNIANWQPLDVKTQ-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000683000106 488083254 /nfs/dbraw/zinc/08/32/54/488083254.db2.gz QNIANWQPLDVKTQ-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000672344881 488087564 /nfs/dbraw/zinc/08/75/64/488087564.db2.gz HNXXXMNDMUMGAI-OUAUKWLOSA-N 1 2 233.315 1.360 20 0 BDADLO CC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650686906 488092019 /nfs/dbraw/zinc/09/20/19/488092019.db2.gz MXGHHHIVAOYXGX-ZDUSSCGKSA-N 1 2 243.310 1.840 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000677686666 488093123 /nfs/dbraw/zinc/09/31/23/488093123.db2.gz DWGJPXPOFMIREU-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000677686666 488093127 /nfs/dbraw/zinc/09/31/27/488093127.db2.gz DWGJPXPOFMIREU-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1ccnc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000683018884 488094778 /nfs/dbraw/zinc/09/47/78/488094778.db2.gz AIZHFYJXWWCTBG-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccnc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000683018884 488094782 /nfs/dbraw/zinc/09/47/82/488094782.db2.gz AIZHFYJXWWCTBG-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000683025258 488098545 /nfs/dbraw/zinc/09/85/45/488098545.db2.gz ZLRFHUOGTZGPDM-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000683025258 488098548 /nfs/dbraw/zinc/09/85/48/488098548.db2.gz ZLRFHUOGTZGPDM-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@H]1C(F)(F)F ZINC000677726386 488101176 /nfs/dbraw/zinc/10/11/76/488101176.db2.gz YMZIBYNJTGZERI-QMMMGPOBSA-N 1 2 249.236 1.183 20 0 BDADLO c1cn(-c2cc(S[C@@H]3CCOC3)ncn2)c[nH+]1 ZINC000683079045 488106084 /nfs/dbraw/zinc/10/60/84/488106084.db2.gz CFXMGBZAGGXOHY-SECBINFHSA-N 1 2 248.311 1.543 20 0 BDADLO C[N@H+](CC(=O)c1ccccc1F)CC(C)(C)O ZINC000092970289 488106937 /nfs/dbraw/zinc/10/69/37/488106937.db2.gz OQNINYUEQXCNMB-UHFFFAOYSA-N 1 2 239.290 1.711 20 0 BDADLO C[N@@H+](CC(=O)c1ccccc1F)CC(C)(C)O ZINC000092970289 488106941 /nfs/dbraw/zinc/10/69/41/488106941.db2.gz OQNINYUEQXCNMB-UHFFFAOYSA-N 1 2 239.290 1.711 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000683108948 488107215 /nfs/dbraw/zinc/10/72/15/488107215.db2.gz ATNMMPDOOGCOAH-VGMNWLOBSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000683108948 488107219 /nfs/dbraw/zinc/10/72/19/488107219.db2.gz ATNMMPDOOGCOAH-VGMNWLOBSA-N 1 2 205.248 1.344 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000677732615 488109564 /nfs/dbraw/zinc/10/95/64/488109564.db2.gz IRWIYZFJPBEOLE-ZETCQYMHSA-N 1 2 202.204 1.762 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000677732615 488109566 /nfs/dbraw/zinc/10/95/66/488109566.db2.gz IRWIYZFJPBEOLE-ZETCQYMHSA-N 1 2 202.204 1.762 20 0 BDADLO CCN(C)C(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677731498 488110052 /nfs/dbraw/zinc/11/00/52/488110052.db2.gz AYKHPFKPXQDOOC-UHFFFAOYSA-N 1 2 232.274 1.196 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667763628 488111558 /nfs/dbraw/zinc/11/15/58/488111558.db2.gz DSWAQKDSXJIKQO-UWVGGRQHSA-N 1 2 235.331 1.772 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667763628 488111553 /nfs/dbraw/zinc/11/15/53/488111553.db2.gz DSWAQKDSXJIKQO-UWVGGRQHSA-N 1 2 235.331 1.772 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000666168978 488116789 /nfs/dbraw/zinc/11/67/89/488116789.db2.gz HXLZXJPCOHXKFH-PTEHBNRSSA-N 1 2 240.347 1.358 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000666168978 488116794 /nfs/dbraw/zinc/11/67/94/488116794.db2.gz HXLZXJPCOHXKFH-PTEHBNRSSA-N 1 2 240.347 1.358 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)nn1C ZINC000670108244 488116920 /nfs/dbraw/zinc/11/69/20/488116920.db2.gz UANBUCXCFVXFPX-JTQLQIEISA-N 1 2 245.273 1.542 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)nn1C ZINC000670108244 488116925 /nfs/dbraw/zinc/11/69/25/488116925.db2.gz UANBUCXCFVXFPX-JTQLQIEISA-N 1 2 245.273 1.542 20 0 BDADLO Cc1cc(N2CCc3cc[nH]c(=O)c3C2)nc[nH+]1 ZINC000683141676 488118114 /nfs/dbraw/zinc/11/81/14/488118114.db2.gz LDHREVSXOQAMJK-UHFFFAOYSA-N 1 2 242.282 1.448 20 0 BDADLO COCC(C)(C)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000683164633 488122427 /nfs/dbraw/zinc/12/24/27/488122427.db2.gz VJLIHJWFZNJWRK-UHFFFAOYSA-N 1 2 237.347 1.680 20 0 BDADLO COCC(C)(C)C[N@H+]1CCn2cc(C)nc2C1 ZINC000683164633 488122432 /nfs/dbraw/zinc/12/24/32/488122432.db2.gz VJLIHJWFZNJWRK-UHFFFAOYSA-N 1 2 237.347 1.680 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC000247486519 488124232 /nfs/dbraw/zinc/12/42/32/488124232.db2.gz GJVWPKHOZQWQOI-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC000247486519 488124236 /nfs/dbraw/zinc/12/42/36/488124236.db2.gz GJVWPKHOZQWQOI-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000659994928 488130050 /nfs/dbraw/zinc/13/00/50/488130050.db2.gz PWMANZWWFZZVKR-PSASIEDQSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000659994928 488130056 /nfs/dbraw/zinc/13/00/56/488130056.db2.gz PWMANZWWFZZVKR-PSASIEDQSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000659994929 488130735 /nfs/dbraw/zinc/13/07/35/488130735.db2.gz PWMANZWWFZZVKR-SCZZXKLOSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)[nH]1 ZINC000659994929 488130739 /nfs/dbraw/zinc/13/07/39/488130739.db2.gz PWMANZWWFZZVKR-SCZZXKLOSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1noc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)n1 ZINC000683223251 488132237 /nfs/dbraw/zinc/13/22/37/488132237.db2.gz RKAWXVGYYLHXKK-RKDXNWHRSA-N 1 2 239.319 1.366 20 0 BDADLO CSc1ccncc1NC(=O)Cn1cc[nH+]c1 ZINC000674258430 487539671 /nfs/dbraw/zinc/53/96/71/487539671.db2.gz ZRZLEGKJKPRHKX-UHFFFAOYSA-N 1 2 248.311 1.639 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@H]2CCOC2)no1 ZINC000668796367 487549995 /nfs/dbraw/zinc/54/99/95/487549995.db2.gz RLNBXNJWSDYKES-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@H]2CCOC2)no1 ZINC000668796367 487550002 /nfs/dbraw/zinc/55/00/02/487550002.db2.gz RLNBXNJWSDYKES-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO CCc1cnc(C[N@H+](C)C2(CO)CC2)s1 ZINC000668797531 487553715 /nfs/dbraw/zinc/55/37/15/487553715.db2.gz CSGNMEVGQWMFNO-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CCc1cnc(C[N@@H+](C)C2(CO)CC2)s1 ZINC000668797531 487553717 /nfs/dbraw/zinc/55/37/17/487553717.db2.gz CSGNMEVGQWMFNO-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000680070874 487532511 /nfs/dbraw/zinc/53/25/11/487532511.db2.gz OMFIDXJELZXVIB-YUMQZZPRSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000680070874 487532513 /nfs/dbraw/zinc/53/25/13/487532513.db2.gz OMFIDXJELZXVIB-YUMQZZPRSA-N 1 2 227.333 1.056 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000679853173 487472862 /nfs/dbraw/zinc/47/28/62/487472862.db2.gz JEBLNOHHABPAGI-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000679853173 487472866 /nfs/dbraw/zinc/47/28/66/487472866.db2.gz JEBLNOHHABPAGI-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO Cc1cc(N2CCCC[C@H]2[C@@H](C)CO)nc[nH+]1 ZINC000664266436 487476250 /nfs/dbraw/zinc/47/62/50/487476250.db2.gz HJNFRXRTAFVCRR-JQWIXIFHSA-N 1 2 235.331 1.772 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccco2)no1 ZINC000085221985 488141397 /nfs/dbraw/zinc/14/13/97/488141397.db2.gz UASFPIMUKKPXLP-UHFFFAOYSA-N 1 2 222.244 1.704 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)[nH]1 ZINC000673935350 487486091 /nfs/dbraw/zinc/48/60/91/487486091.db2.gz MXDALTSWUPYTBK-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)[nH]1 ZINC000673935350 487486096 /nfs/dbraw/zinc/48/60/96/487486096.db2.gz MXDALTSWUPYTBK-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1nccn1C(F)F)C1CC1 ZINC000685000444 487487529 /nfs/dbraw/zinc/48/75/29/487487529.db2.gz IHUSQIVOBJXKHF-MRVPVSSYSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1nccn1C(F)F)C1CC1 ZINC000685000444 487487533 /nfs/dbraw/zinc/48/75/33/487487533.db2.gz IHUSQIVOBJXKHF-MRVPVSSYSA-N 1 2 245.273 1.623 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2c2cccc(F)c2)C1=O ZINC000674009211 487498346 /nfs/dbraw/zinc/49/83/46/487498346.db2.gz HOXYETWHMBJBKR-QWHCGFSZSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC[C@H]2c2cccc(F)c2)C1=O ZINC000674009211 487498350 /nfs/dbraw/zinc/49/83/50/487498350.db2.gz HOXYETWHMBJBKR-QWHCGFSZSA-N 1 2 248.301 1.803 20 0 BDADLO CCCN(CC)c1cc(-n2cc[nH+]c2)ncn1 ZINC000673931830 487492546 /nfs/dbraw/zinc/49/25/46/487492546.db2.gz LEICZHVTGDGEQX-UHFFFAOYSA-N 1 2 231.303 1.899 20 0 BDADLO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC(n2cc[nH+]c2)C1 ZINC000668759143 487493067 /nfs/dbraw/zinc/49/30/67/487493067.db2.gz ROQZOSXZMFWOPI-URLYPYJESA-N 1 2 231.299 1.313 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000685037849 487494673 /nfs/dbraw/zinc/49/46/73/487494673.db2.gz LKDCRZXZMIBFSB-MRVPVSSYSA-N 1 2 248.252 1.335 20 0 BDADLO FCCn1ncnc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000685037849 487494676 /nfs/dbraw/zinc/49/46/76/487494676.db2.gz LKDCRZXZMIBFSB-MRVPVSSYSA-N 1 2 248.252 1.335 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674047600 487503862 /nfs/dbraw/zinc/50/38/62/487503862.db2.gz NXDHUERLAFVOLI-LLVKDONJSA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674047600 487503867 /nfs/dbraw/zinc/50/38/67/487503867.db2.gz NXDHUERLAFVOLI-LLVKDONJSA-N 1 2 222.263 1.319 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)C[C@H](O)C1CC1 ZINC000681404726 487790278 /nfs/dbraw/zinc/79/02/78/487790278.db2.gz WEZSNOYEHRKLLU-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)C[C@H](O)C1CC1 ZINC000681404726 487790282 /nfs/dbraw/zinc/79/02/82/487790282.db2.gz WEZSNOYEHRKLLU-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)nn1C ZINC000676040713 487802570 /nfs/dbraw/zinc/80/25/70/487802570.db2.gz NYXFZHHRTWCXLN-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)nn1C ZINC000676040713 487802575 /nfs/dbraw/zinc/80/25/75/487802575.db2.gz NYXFZHHRTWCXLN-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO c1[nH]nc2c1CCN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000676766709 487924214 /nfs/dbraw/zinc/92/42/14/487924214.db2.gz HQAOMVJFMDEGCJ-UHFFFAOYSA-N 1 2 241.298 1.640 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523321 487988823 /nfs/dbraw/zinc/98/88/23/487988823.db2.gz XXSIJTBYPSXFBQ-RKDXNWHRSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523321 487988826 /nfs/dbraw/zinc/98/88/26/487988826.db2.gz XXSIJTBYPSXFBQ-RKDXNWHRSA-N 1 2 221.304 1.429 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668600672 487991262 /nfs/dbraw/zinc/99/12/62/487991262.db2.gz YBCSUEIKEOHKAD-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668600672 487991269 /nfs/dbraw/zinc/99/12/69/487991269.db2.gz YBCSUEIKEOHKAD-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cnc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000677549328 488070066 /nfs/dbraw/zinc/07/00/66/488070066.db2.gz OOUFTGZHWVJJTB-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]1 ZINC000433787762 488138294 /nfs/dbraw/zinc/13/82/94/488138294.db2.gz XYWOVRHSCFBLPF-IEBDPFPHSA-N 1 2 244.298 1.998 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000674753207 488146760 /nfs/dbraw/zinc/14/67/60/488146760.db2.gz AFOXDIACSJFBQK-SNVBAGLBSA-N 1 2 238.335 1.098 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000674753207 488146764 /nfs/dbraw/zinc/14/67/64/488146764.db2.gz AFOXDIACSJFBQK-SNVBAGLBSA-N 1 2 238.335 1.098 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1nc(C)no1 ZINC000677886150 488146728 /nfs/dbraw/zinc/14/67/28/488146728.db2.gz KXNARWCXRCNCRY-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1nc(C)no1 ZINC000677886150 488146733 /nfs/dbraw/zinc/14/67/33/488146733.db2.gz KXNARWCXRCNCRY-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cocn1 ZINC000397832988 488158113 /nfs/dbraw/zinc/15/81/13/488158113.db2.gz NPEUPKBMYHCDCU-UHFFFAOYSA-N 1 2 220.276 1.571 20 0 BDADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000677956825 488165746 /nfs/dbraw/zinc/16/57/46/488165746.db2.gz DYGOZOFYTUEFRZ-UWVGGRQHSA-N 1 2 234.303 1.112 20 0 BDADLO CCc1cc(N[C@H]2CCC[C@@H]2C(=O)NC)nc[nH+]1 ZINC000677956734 488165941 /nfs/dbraw/zinc/16/59/41/488165941.db2.gz BKCLZPJLQYKYTA-QWRGUYRKSA-N 1 2 248.330 1.366 20 0 BDADLO Cc1cccn2c(NC(=O)NCCF)c[nH+]c12 ZINC000667956440 488168546 /nfs/dbraw/zinc/16/85/46/488168546.db2.gz CJWFBHDVDQDFLY-UHFFFAOYSA-N 1 2 236.250 1.734 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2nc[nH+]c(N)c2Cl)O1 ZINC000397912939 488170580 /nfs/dbraw/zinc/17/05/80/488170580.db2.gz FGQPQBXJCQQYDY-RQJHMYQMSA-N 1 2 242.710 1.114 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2[nH+]cnc(N)c2Cl)O1 ZINC000397912939 488170585 /nfs/dbraw/zinc/17/05/85/488170585.db2.gz FGQPQBXJCQQYDY-RQJHMYQMSA-N 1 2 242.710 1.114 20 0 BDADLO CCc1cc(NCCCOC(F)F)nc[nH+]1 ZINC000390669190 488173006 /nfs/dbraw/zinc/17/30/06/488173006.db2.gz VANAAEJATKNHOL-UHFFFAOYSA-N 1 2 231.246 1.502 20 0 BDADLO Cc1cc2[nH+]cn(Cc3cnnn3C)c2cc1C ZINC000082952312 488178349 /nfs/dbraw/zinc/17/83/49/488178349.db2.gz AQODPOPCZNVUDF-UHFFFAOYSA-N 1 2 241.298 1.830 20 0 BDADLO CC[C@@]1(C)COCCN1Cc1c[nH+]c2n1CCC2 ZINC000667999835 488180309 /nfs/dbraw/zinc/18/03/09/488180309.db2.gz QRKJTQDGUPEWKL-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)C[C@H]2C[C@H]2C1 ZINC000627372220 488182616 /nfs/dbraw/zinc/18/26/16/488182616.db2.gz GPFYCNMGWDJQFD-MSRIBSCDSA-N 1 2 245.326 1.731 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)C[C@H]2C[C@H]2C1 ZINC000627372220 488182618 /nfs/dbraw/zinc/18/26/18/488182618.db2.gz GPFYCNMGWDJQFD-MSRIBSCDSA-N 1 2 245.326 1.731 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCC12CCOCC2 ZINC000683525860 488187226 /nfs/dbraw/zinc/18/72/26/488187226.db2.gz JAXJYNKRAZHDCH-UHFFFAOYSA-N 1 2 249.314 1.702 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCC12CCOCC2 ZINC000683525860 488187229 /nfs/dbraw/zinc/18/72/29/488187229.db2.gz JAXJYNKRAZHDCH-UHFFFAOYSA-N 1 2 249.314 1.702 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1nccs1 ZINC000683537729 488190377 /nfs/dbraw/zinc/19/03/77/488190377.db2.gz FUXASTBMOKKZBU-MRVPVSSYSA-N 1 2 236.300 1.158 20 0 BDADLO CC[C@@]1(C)CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000668035350 488192740 /nfs/dbraw/zinc/19/27/40/488192740.db2.gz JLVAFQZIIJRCQL-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1(C2CCC2)CC1 ZINC000652867780 488193556 /nfs/dbraw/zinc/19/35/56/488193556.db2.gz AJDPWKMLCCUUHK-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1(C2CCC2)CC1 ZINC000652867780 488193559 /nfs/dbraw/zinc/19/35/59/488193559.db2.gz AJDPWKMLCCUUHK-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1nccs1 ZINC000683565667 488197059 /nfs/dbraw/zinc/19/70/59/488197059.db2.gz GYQMFFMHINXKIA-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1nccs1 ZINC000683565667 488197062 /nfs/dbraw/zinc/19/70/62/488197062.db2.gz GYQMFFMHINXKIA-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1cc(NC(=O)NC2CC=CC2)c(C)c[nH+]1 ZINC000678097773 488197296 /nfs/dbraw/zinc/19/72/96/488197296.db2.gz OEFVXLAIWLRYQI-UHFFFAOYSA-N 1 2 231.299 1.960 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000668069432 488197964 /nfs/dbraw/zinc/19/79/64/488197964.db2.gz QGDVVEGDLDQTLG-LLVKDONJSA-N 1 2 235.331 1.514 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccnn1CC1CC1 ZINC000668069432 488197968 /nfs/dbraw/zinc/19/79/68/488197968.db2.gz QGDVVEGDLDQTLG-LLVKDONJSA-N 1 2 235.331 1.514 20 0 BDADLO CC1C[NH+](Cc2cn(C3CCC3)nn2)C1 ZINC000668093258 488202328 /nfs/dbraw/zinc/20/23/28/488202328.db2.gz FRGOXMQCDIQLQX-UHFFFAOYSA-N 1 2 206.293 1.455 20 0 BDADLO CCCc1noc(C[N@H+](C)C2(COC)CC2)n1 ZINC000677726624 488202475 /nfs/dbraw/zinc/20/24/75/488202475.db2.gz NWVJJHDWSQXOEB-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@@H+](C)C2(COC)CC2)n1 ZINC000677726624 488202479 /nfs/dbraw/zinc/20/24/79/488202479.db2.gz NWVJJHDWSQXOEB-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1cc(N2CC(=O)N(C)[C@H](C)C2)nc(C)[nH+]1 ZINC000283338143 488208859 /nfs/dbraw/zinc/20/88/59/488208859.db2.gz AUUPDBPMFZETKD-SECBINFHSA-N 1 2 248.330 1.014 20 0 BDADLO Cc1cn2ccc(NC(=O)NC3CC3)cc2[nH+]1 ZINC000668150594 488209908 /nfs/dbraw/zinc/20/99/08/488209908.db2.gz AIDMPMUSQLPOLL-UHFFFAOYSA-N 1 2 230.271 1.927 20 0 BDADLO Cn1nncc1C[N@@H+]1CCOc2ccccc2C1 ZINC000678195651 488215579 /nfs/dbraw/zinc/21/55/79/488215579.db2.gz DBJPHNHMCLTKHY-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO Cn1nncc1C[N@H+]1CCOc2ccccc2C1 ZINC000678195651 488215581 /nfs/dbraw/zinc/21/55/81/488215581.db2.gz DBJPHNHMCLTKHY-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC[C@@H](OC)C1 ZINC000668746633 488218225 /nfs/dbraw/zinc/21/82/25/488218225.db2.gz RUYHKZRAFDUSGW-NWDGAFQWSA-N 1 2 248.326 1.820 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nccs2)c(=O)n1C ZINC000683776268 488219479 /nfs/dbraw/zinc/21/94/79/488219479.db2.gz GLQGKOHAMGVPBL-UHFFFAOYSA-N 1 2 249.339 1.440 20 0 BDADLO CC(C)[N@H+](Cc1ccnn1CC1CC1)C1COC1 ZINC000668200426 488222605 /nfs/dbraw/zinc/22/26/05/488222605.db2.gz XOOVTDURNLGAAA-UHFFFAOYSA-N 1 2 249.358 1.902 20 0 BDADLO CC(C)[N@@H+](Cc1ccnn1CC1CC1)C1COC1 ZINC000668200426 488222608 /nfs/dbraw/zinc/22/26/08/488222608.db2.gz XOOVTDURNLGAAA-UHFFFAOYSA-N 1 2 249.358 1.902 20 0 BDADLO F[C@@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668214183 488228582 /nfs/dbraw/zinc/22/85/82/488228582.db2.gz XZIZKOOGJKMMCG-SECBINFHSA-N 1 2 209.268 1.373 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnn(C(C)(C)C)c1 ZINC000678266496 488230117 /nfs/dbraw/zinc/23/01/17/488230117.db2.gz QPOUAQMQVDPIHZ-UHFFFAOYSA-N 1 2 247.346 1.993 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnn(C(C)(C)C)c1 ZINC000678266496 488230118 /nfs/dbraw/zinc/23/01/18/488230118.db2.gz QPOUAQMQVDPIHZ-UHFFFAOYSA-N 1 2 247.346 1.993 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cccc2c1OCO2 ZINC000678266062 488230332 /nfs/dbraw/zinc/23/03/32/488230332.db2.gz KZLVGPLLBCJHMY-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cccc2c1OCO2 ZINC000678266062 488230333 /nfs/dbraw/zinc/23/03/33/488230333.db2.gz KZLVGPLLBCJHMY-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)o1 ZINC000678273448 488233875 /nfs/dbraw/zinc/23/38/75/488233875.db2.gz NZPVJENXVUWMCD-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3c[nH]nc3C2)o1 ZINC000678273448 488233878 /nfs/dbraw/zinc/23/38/78/488233878.db2.gz NZPVJENXVUWMCD-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ns1 ZINC000683889557 488237504 /nfs/dbraw/zinc/23/75/04/488237504.db2.gz KCMNSOQRWRARJV-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)ns1 ZINC000683889557 488237506 /nfs/dbraw/zinc/23/75/06/488237506.db2.gz KCMNSOQRWRARJV-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO O=C(CCC(F)F)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146894 488240892 /nfs/dbraw/zinc/24/08/92/488240892.db2.gz VGOOCJBXBMOIOW-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1=CCCCC1 ZINC000672149770 488241785 /nfs/dbraw/zinc/24/17/85/488241785.db2.gz XKSSDVPZTAPYSR-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO Cc1noc2ncnc(NCCn3cc[nH+]c3)c12 ZINC000195506090 488244126 /nfs/dbraw/zinc/24/41/26/488244126.db2.gz JYUHEQGGEDZINK-UHFFFAOYSA-N 1 2 244.258 1.235 20 0 BDADLO Cc1cc(NC(=O)N2CC(C)(C)C2)c(C)c[nH+]1 ZINC000683946822 488249741 /nfs/dbraw/zinc/24/97/41/488249741.db2.gz OWQXQKJQVHEKQU-UHFFFAOYSA-N 1 2 233.315 1.994 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000672551955 488259360 /nfs/dbraw/zinc/25/93/60/488259360.db2.gz CUWTWDHTEQATSZ-HTQZYQBOSA-N 1 2 230.262 1.463 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000672551955 488259362 /nfs/dbraw/zinc/25/93/62/488259362.db2.gz CUWTWDHTEQATSZ-HTQZYQBOSA-N 1 2 230.262 1.463 20 0 BDADLO Cc1occc1CNC(=O)Cc1c[nH+]cn1C ZINC000672771959 488265572 /nfs/dbraw/zinc/26/55/72/488265572.db2.gz DTVZKWQARIXFDH-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO CC(C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000673035486 488272195 /nfs/dbraw/zinc/27/21/95/488272195.db2.gz FNPLMAKSCDDOPS-UHFFFAOYSA-N 1 2 221.304 1.077 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1F ZINC000673057428 488272484 /nfs/dbraw/zinc/27/24/84/488272484.db2.gz YWHQQZUGKRKOLH-VHSXEESVSA-N 1 2 239.294 1.549 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCC2(CC2)C1 ZINC000673082581 488272659 /nfs/dbraw/zinc/27/26/59/488272659.db2.gz KZYOEXZDLJJEMJ-UHFFFAOYSA-N 1 2 233.315 1.365 20 0 BDADLO Cc1nnc(C[N@H+](CCO)CC(C)(C)C)s1 ZINC000678625107 488273464 /nfs/dbraw/zinc/27/34/64/488273464.db2.gz ZCLKWWBDAHOKHO-UHFFFAOYSA-N 1 2 243.376 1.687 20 0 BDADLO Cc1nnc(C[N@@H+](CCO)CC(C)(C)C)s1 ZINC000678625107 488273466 /nfs/dbraw/zinc/27/34/66/488273466.db2.gz ZCLKWWBDAHOKHO-UHFFFAOYSA-N 1 2 243.376 1.687 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000673080980 488275673 /nfs/dbraw/zinc/27/56/73/488275673.db2.gz YJDGHFDCZZGCFE-GMTAPVOTSA-N 1 2 248.330 1.707 20 0 BDADLO FC(F)C1C[NH+](Cc2cn3cccnc3n2)C1 ZINC000678713252 488277147 /nfs/dbraw/zinc/27/71/47/488277147.db2.gz DSCYXLSWVJFSFO-UHFFFAOYSA-N 1 2 238.241 1.426 20 0 BDADLO C[C@@H](CO)[N@H+](CC(F)F)CC1CCC1 ZINC000684626326 488335346 /nfs/dbraw/zinc/33/53/46/488335346.db2.gz UTGMRROSORDTJN-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](CO)[N@@H+](CC(F)F)CC1CCC1 ZINC000684626326 488335347 /nfs/dbraw/zinc/33/53/47/488335347.db2.gz UTGMRROSORDTJN-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678831466 488289062 /nfs/dbraw/zinc/28/90/62/488289062.db2.gz PQUTXAGXLREWJB-TXEJJXNPSA-N 1 2 235.331 1.346 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678831466 488289065 /nfs/dbraw/zinc/28/90/65/488289065.db2.gz PQUTXAGXLREWJB-TXEJJXNPSA-N 1 2 235.331 1.346 20 0 BDADLO Cn1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000678892454 488293814 /nfs/dbraw/zinc/29/38/14/488293814.db2.gz UPGPBGWBTIRFGF-MRVPVSSYSA-N 1 2 233.237 1.804 20 0 BDADLO Cn1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000678892454 488293817 /nfs/dbraw/zinc/29/38/17/488293817.db2.gz UPGPBGWBTIRFGF-MRVPVSSYSA-N 1 2 233.237 1.804 20 0 BDADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000678897020 488294579 /nfs/dbraw/zinc/29/45/79/488294579.db2.gz RCGUHEYXZOXOKQ-SNVBAGLBSA-N 1 2 238.335 1.959 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2CC=CCC2)n1 ZINC000679323469 488337255 /nfs/dbraw/zinc/33/72/55/488337255.db2.gz PUFHFXWLJSROCV-UHFFFAOYSA-N 1 2 219.288 1.507 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=CCC2)n1 ZINC000679323469 488337257 /nfs/dbraw/zinc/33/72/57/488337257.db2.gz PUFHFXWLJSROCV-UHFFFAOYSA-N 1 2 219.288 1.507 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccnc1 ZINC000673631378 488298779 /nfs/dbraw/zinc/29/87/79/488298779.db2.gz ARTCJJKAOSBBHA-SNVBAGLBSA-N 1 2 230.271 1.156 20 0 BDADLO CCCN(CC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000673651349 488300226 /nfs/dbraw/zinc/30/02/26/488300226.db2.gz NJXKAFYURSQBHV-UHFFFAOYSA-N 1 2 249.236 1.684 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC=CCC1 ZINC000679323125 488336481 /nfs/dbraw/zinc/33/64/81/488336481.db2.gz JBKRJYPBKANZMF-UHFFFAOYSA-N 1 2 234.303 1.227 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC=CCC1 ZINC000679323125 488336482 /nfs/dbraw/zinc/33/64/82/488336482.db2.gz JBKRJYPBKANZMF-UHFFFAOYSA-N 1 2 234.303 1.227 20 0 BDADLO C1=CC[N@H+](Cc2nnc3n2CCCCC3)CC1 ZINC000679322795 488336526 /nfs/dbraw/zinc/33/65/26/488336526.db2.gz OHPDCNASXYVLHZ-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO C1=CC[N@@H+](Cc2nnc3n2CCCCC3)CC1 ZINC000679322795 488336527 /nfs/dbraw/zinc/33/65/27/488336527.db2.gz OHPDCNASXYVLHZ-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@H]1CCCO1 ZINC000684374497 488302077 /nfs/dbraw/zinc/30/20/77/488302077.db2.gz JMWYYTBXHDIKRV-LLVKDONJSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@H]1CCCO1 ZINC000684374497 488302080 /nfs/dbraw/zinc/30/20/80/488302080.db2.gz JMWYYTBXHDIKRV-LLVKDONJSA-N 1 2 237.303 1.028 20 0 BDADLO CCNC(=O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000679001969 488302201 /nfs/dbraw/zinc/30/22/01/488302201.db2.gz ALHMBFGSOQMCFK-UHFFFAOYSA-N 1 2 234.303 1.210 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC=CCC1 ZINC000679323119 488336682 /nfs/dbraw/zinc/33/66/82/488336682.db2.gz IZVLEVATVOQISB-MRVPVSSYSA-N 1 2 236.237 1.315 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC=CCC1 ZINC000679323119 488336684 /nfs/dbraw/zinc/33/66/84/488336684.db2.gz IZVLEVATVOQISB-MRVPVSSYSA-N 1 2 236.237 1.315 20 0 BDADLO COc1ccccc1NC(=O)C[N@H+]1CC=CCC1 ZINC000679323027 488336794 /nfs/dbraw/zinc/33/67/94/488336794.db2.gz RAEYFWQSOXLGGT-UHFFFAOYSA-N 1 2 246.310 1.896 20 0 BDADLO COc1ccccc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000679323027 488336795 /nfs/dbraw/zinc/33/67/95/488336795.db2.gz RAEYFWQSOXLGGT-UHFFFAOYSA-N 1 2 246.310 1.896 20 0 BDADLO c1nc(C[NH+]2CC([C@@H]3CCOC3)C2)co1 ZINC000684414828 488309399 /nfs/dbraw/zinc/30/93/99/488309399.db2.gz VAXHCCHHNURYSO-SECBINFHSA-N 1 2 208.261 1.143 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679223996 488321339 /nfs/dbraw/zinc/32/13/39/488321339.db2.gz RRLOQNOVOYELKA-RHYQMDGZSA-N 1 2 244.354 1.970 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679223996 488321341 /nfs/dbraw/zinc/32/13/41/488321341.db2.gz RRLOQNOVOYELKA-RHYQMDGZSA-N 1 2 244.354 1.970 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1cnc[nH]1 ZINC000684617913 488332541 /nfs/dbraw/zinc/33/25/41/488332541.db2.gz HZURCBQKLHNHNP-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1cnc[nH]1 ZINC000684617913 488332543 /nfs/dbraw/zinc/33/25/43/488332543.db2.gz HZURCBQKLHNHNP-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1c[nH]cn1 ZINC000684617913 488332545 /nfs/dbraw/zinc/33/25/45/488332545.db2.gz HZURCBQKLHNHNP-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1c[nH]cn1 ZINC000684617913 488332546 /nfs/dbraw/zinc/33/25/46/488332546.db2.gz HZURCBQKLHNHNP-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000684757869 488340504 /nfs/dbraw/zinc/34/05/04/488340504.db2.gz QFFGJKRUQINXEE-SDDRHHMPSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1cc(NCc2[nH]cc[nH+]2)ccc1C(N)=O ZINC000684797467 488343066 /nfs/dbraw/zinc/34/30/66/488343066.db2.gz AWBMARZOVUWSFO-UHFFFAOYSA-N 1 2 230.271 1.429 20 0 BDADLO CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000684834869 488347876 /nfs/dbraw/zinc/34/78/76/488347876.db2.gz YGTKLHVLYDCMGA-SNVBAGLBSA-N 1 2 235.331 1.946 20 0 BDADLO CC(C)N1CC[N@@H+]([C@H](C)c2ccncc2)CC1=O ZINC000679541446 488357528 /nfs/dbraw/zinc/35/75/28/488357528.db2.gz ZKBPKWCGTHBGCE-GFCCVEGCSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)N1CC[N@H+]([C@H](C)c2ccncc2)CC1=O ZINC000679541446 488357530 /nfs/dbraw/zinc/35/75/30/488357530.db2.gz ZKBPKWCGTHBGCE-GFCCVEGCSA-N 1 2 247.342 1.695 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000679574284 488358758 /nfs/dbraw/zinc/35/87/58/488358758.db2.gz HAKLNSAOVDHUEY-SECBINFHSA-N 1 2 247.298 1.442 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679739302 488365424 /nfs/dbraw/zinc/36/54/24/488365424.db2.gz CKRPUVOOQBTDFI-VIFPVBQESA-N 1 2 246.261 1.019 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679739302 488365425 /nfs/dbraw/zinc/36/54/25/488365425.db2.gz CKRPUVOOQBTDFI-VIFPVBQESA-N 1 2 246.261 1.019 20 0 BDADLO O=C1C[N@H+](Cc2ccc(C(F)F)cc2)CCN1 ZINC000183919914 490088738 /nfs/dbraw/zinc/08/87/38/490088738.db2.gz YZOBDMNBBIPBPH-UHFFFAOYSA-N 1 2 240.253 1.556 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(C(F)F)cc2)CCN1 ZINC000183919914 490088745 /nfs/dbraw/zinc/08/87/45/490088745.db2.gz YZOBDMNBBIPBPH-UHFFFAOYSA-N 1 2 240.253 1.556 20 0 BDADLO C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651415408 490090955 /nfs/dbraw/zinc/09/09/55/490090955.db2.gz DFXWAUWRBDBHLS-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO Cc1nc(NCCOC[C@H]2CCOC2)cc[nH+]1 ZINC000608085625 490101745 /nfs/dbraw/zinc/10/17/45/490101745.db2.gz BSWVZSLFEXNFCM-NSHDSACASA-N 1 2 237.303 1.250 20 0 BDADLO CC(C)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000110113820 490103626 /nfs/dbraw/zinc/10/36/26/490103626.db2.gz IXOOAPBLQDWWRD-UHFFFAOYSA-N 1 2 221.304 1.561 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nccn1C ZINC000078679861 490217135 /nfs/dbraw/zinc/21/71/35/490217135.db2.gz ADRAUEDKXPLNKL-MRVPVSSYSA-N 1 2 234.303 1.876 20 0 BDADLO CCc1ncncc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000584242188 490313310 /nfs/dbraw/zinc/31/33/10/490313310.db2.gz KCPNXUBMTXVVCW-MRVPVSSYSA-N 1 2 245.286 1.253 20 0 BDADLO CCN(Cc1ccoc1)C(=O)Cn1cc[nH+]c1 ZINC000073263293 490428736 /nfs/dbraw/zinc/42/87/36/490428736.db2.gz QVZJKNXKZLQUOB-UHFFFAOYSA-N 1 2 233.271 1.525 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccccc1O ZINC000127472625 490547285 /nfs/dbraw/zinc/54/72/85/490547285.db2.gz QTJQBOOINAMXAP-UHFFFAOYSA-N 1 2 217.228 1.227 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1CC=CC1 ZINC000131103699 490591027 /nfs/dbraw/zinc/59/10/27/490591027.db2.gz YDCYTKTWOBGULT-UHFFFAOYSA-N 1 2 215.260 1.494 20 0 BDADLO O[C@]12CCCC[C@@H]1C[N@H+](CC(F)F)CC2 ZINC000220386983 490598683 /nfs/dbraw/zinc/59/86/83/490598683.db2.gz LHMVQLZUPNBAFL-KOLCDFICSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@]12CCCC[C@@H]1C[N@@H+](CC(F)F)CC2 ZINC000220386983 490598686 /nfs/dbraw/zinc/59/86/86/490598686.db2.gz LHMVQLZUPNBAFL-KOLCDFICSA-N 1 2 219.275 1.879 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668920403 491068256 /nfs/dbraw/zinc/06/82/56/491068256.db2.gz XFOZNJMSYJNMCA-LLVKDONJSA-N 1 2 247.342 1.821 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668920403 491068257 /nfs/dbraw/zinc/06/82/57/491068257.db2.gz XFOZNJMSYJNMCA-LLVKDONJSA-N 1 2 247.342 1.821 20 0 BDADLO CC(C)n1ccnc1C[NH+]1CC(C(C)(C)O)C1 ZINC000668232511 491084755 /nfs/dbraw/zinc/08/47/55/491084755.db2.gz USTINFISWJIGPR-UHFFFAOYSA-N 1 2 237.347 1.667 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2n1C ZINC000293658558 491114292 /nfs/dbraw/zinc/11/42/92/491114292.db2.gz TUTBCAWDWRUYKB-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc2ccccc2n1C ZINC000293658558 491114294 /nfs/dbraw/zinc/11/42/94/491114294.db2.gz TUTBCAWDWRUYKB-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO CCc1cc(NCc2ccn(CC)n2)nc[nH+]1 ZINC000665744116 491115381 /nfs/dbraw/zinc/11/53/81/491115381.db2.gz XJPSWCZHSBMJNQ-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO Cc1nc(N[C@@H]2CCc3ccccc32)nc(N)[nH+]1 ZINC000035976398 491122277 /nfs/dbraw/zinc/12/22/77/491122277.db2.gz DJHJQRYZBSINET-LLVKDONJSA-N 1 2 241.298 1.862 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCc3ccccc32)[nH+]1 ZINC000035976398 491122278 /nfs/dbraw/zinc/12/22/78/491122278.db2.gz DJHJQRYZBSINET-LLVKDONJSA-N 1 2 241.298 1.862 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCc1c[nH+]cn1C ZINC000334631477 491124048 /nfs/dbraw/zinc/12/40/48/491124048.db2.gz NDVDKENNZNOQSX-GWCFXTLKSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCCC[C@H]1O ZINC000584241976 491124718 /nfs/dbraw/zinc/12/47/18/491124718.db2.gz BOYJJOLLDDCTJV-NWDGAFQWSA-N 1 2 235.331 1.478 20 0 BDADLO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000395144543 491125397 /nfs/dbraw/zinc/12/53/97/491125397.db2.gz WEQLVUCMQFQBCY-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1csnn1 ZINC000395144543 491125398 /nfs/dbraw/zinc/12/53/98/491125398.db2.gz WEQLVUCMQFQBCY-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1COC(C)(C)C1 ZINC000396525016 491127668 /nfs/dbraw/zinc/12/76/68/491127668.db2.gz FZPVASOAXSJRNO-ZETCQYMHSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1COC(C)(C)C1 ZINC000396525016 491127669 /nfs/dbraw/zinc/12/76/69/491127669.db2.gz FZPVASOAXSJRNO-ZETCQYMHSA-N 1 2 238.291 1.047 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2cocn2)cn1 ZINC000309004135 491142165 /nfs/dbraw/zinc/14/21/65/491142165.db2.gz PBEJSKLQTSWDJJ-UHFFFAOYSA-N 1 2 204.233 1.261 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cn(C)nc2C)o1 ZINC000224108112 491146670 /nfs/dbraw/zinc/14/66/70/491146670.db2.gz DITVQIJEQQYAGC-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H]2CO)nc(C(C)C)[nH+]1 ZINC000309427944 491149162 /nfs/dbraw/zinc/14/91/62/491149162.db2.gz KORGPEXCUBUZIC-VHSXEESVSA-N 1 2 221.304 1.701 20 0 BDADLO c1csc(C[NH2+][C@H]2CCc3cn[nH]c3C2)n1 ZINC000309631457 491153179 /nfs/dbraw/zinc/15/31/79/491153179.db2.gz RHDCGZVHJUFTIG-VIFPVBQESA-N 1 2 234.328 1.513 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000309736198 491155308 /nfs/dbraw/zinc/15/53/08/491155308.db2.gz CJKGZQPRQLWCMC-JQWIXIFHSA-N 1 2 223.320 1.765 20 0 BDADLO CC(C)(C)c1nc(NCCCCO)cc[nH+]1 ZINC000309703938 491155414 /nfs/dbraw/zinc/15/54/14/491155414.db2.gz UOUJSOQDTRQGHE-UHFFFAOYSA-N 1 2 223.320 1.959 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+]Cc1ccon1 ZINC000083119686 491159935 /nfs/dbraw/zinc/15/99/35/491159935.db2.gz HOXBLHWRQSUWMI-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)C1(CO)CC1 ZINC000668799555 491160491 /nfs/dbraw/zinc/16/04/91/491160491.db2.gz XUNLAXQDRACYKS-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)C1(CO)CC1 ZINC000668799555 491160492 /nfs/dbraw/zinc/16/04/92/491160492.db2.gz XUNLAXQDRACYKS-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO CCc1c[nH]c(CC(=O)NC/C=C\Cl)[nH+]1 ZINC000891201466 582626848 /nfs/dbraw/zinc/62/68/48/582626848.db2.gz MBUITLHIPHCPAZ-ARJAWSKDSA-N 1 2 227.695 1.383 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/Cl ZINC000891202881 582628769 /nfs/dbraw/zinc/62/87/69/582628769.db2.gz WLMWXZOXAWGRFQ-UFUPEUMYSA-N 1 2 227.695 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/Cl ZINC000891202881 582628770 /nfs/dbraw/zinc/62/87/70/582628770.db2.gz WLMWXZOXAWGRFQ-UFUPEUMYSA-N 1 2 227.695 1.457 20 0 BDADLO C[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H]1C ZINC000493354994 533911969 /nfs/dbraw/zinc/91/19/69/533911969.db2.gz PVWCYWTZKQFKNG-HIHHVFROSA-N 1 2 219.288 1.680 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000891705810 582711576 /nfs/dbraw/zinc/71/15/76/582711576.db2.gz HYKFXANXBAKOEA-UHFFFAOYSA-N 1 2 225.288 1.899 20 0 BDADLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000891705810 582711579 /nfs/dbraw/zinc/71/15/79/582711579.db2.gz HYKFXANXBAKOEA-UHFFFAOYSA-N 1 2 225.288 1.899 20 0 BDADLO CC(C)C[C@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892132092 582797157 /nfs/dbraw/zinc/79/71/57/582797157.db2.gz YBCQBNWNNOELRY-QWRGUYRKSA-N 1 2 238.331 1.954 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C2CCC1CC2 ZINC000493129642 534800879 /nfs/dbraw/zinc/80/08/79/534800879.db2.gz VPELPVZOJICBDV-BHQIHCQQSA-N 1 2 217.272 1.576 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCc1cccnc1 ZINC000493815914 534802152 /nfs/dbraw/zinc/80/21/52/534802152.db2.gz GBVAAKWPBPLJFB-ARJAWSKDSA-N 1 2 244.254 1.066 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C=CCCC1 ZINC000493804881 534802561 /nfs/dbraw/zinc/80/25/61/534802561.db2.gz UDIVAAXPLDWGJL-JYESYGNLSA-N 1 2 217.272 1.648 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000494085474 534809657 /nfs/dbraw/zinc/80/96/57/534809657.db2.gz JOPUGMZXYKYHGM-FAIQTLDISA-N 1 2 230.695 1.265 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000494085474 534809662 /nfs/dbraw/zinc/80/96/62/534809662.db2.gz JOPUGMZXYKYHGM-FAIQTLDISA-N 1 2 230.695 1.265 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000494361315 534812239 /nfs/dbraw/zinc/81/22/39/534812239.db2.gz AXVCOMDSMQPVPO-SNVBAGLBSA-N 1 2 236.271 1.306 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000494361315 534812241 /nfs/dbraw/zinc/81/22/41/534812241.db2.gz AXVCOMDSMQPVPO-SNVBAGLBSA-N 1 2 236.271 1.306 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccncc1 ZINC000258872826 536427918 /nfs/dbraw/zinc/42/79/18/536427918.db2.gz UUWLKCGYIFHYMH-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccncc1 ZINC000258872826 536427921 /nfs/dbraw/zinc/42/79/21/536427921.db2.gz UUWLKCGYIFHYMH-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO CC(C)(C)OCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493115418 526553501 /nfs/dbraw/zinc/55/35/01/526553501.db2.gz AGISLWRFEZYVLO-PLNGDYQASA-N 1 2 237.303 1.354 20 0 BDADLO CCc1cc(N[C@@H](CO)C2CC2)nc(CC)[nH+]1 ZINC000892541820 582908789 /nfs/dbraw/zinc/90/87/89/582908789.db2.gz GYWUFCWEWXDYTH-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO C/C=C/C=C/C(=O)NCc1[nH+]ccn1CC ZINC000493254665 527583243 /nfs/dbraw/zinc/58/32/43/527583243.db2.gz MQTLUJBXAUFLJU-TWTPFVCWSA-N 1 2 219.288 1.652 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492688399 527586017 /nfs/dbraw/zinc/58/60/17/527586017.db2.gz JRHSWEGBDZDMHG-JWVODRKRSA-N 1 2 231.299 1.446 20 0 BDADLO CC(C)C1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493252494 527617283 /nfs/dbraw/zinc/61/72/83/527617283.db2.gz JUOWUUCLUYXFLC-ONEGZZNKSA-N 1 2 219.288 1.728 20 0 BDADLO CC(C)(C)CCONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493795633 527670951 /nfs/dbraw/zinc/67/09/51/527670951.db2.gz SPRWIOYJEPESGW-SNAWJCMRSA-N 1 2 237.303 1.907 20 0 BDADLO CC1(C)C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492895745 527729685 /nfs/dbraw/zinc/72/96/85/527729685.db2.gz IOFIWAQLOWKVBC-UMBAGQNISA-N 1 2 249.314 1.497 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811037 527802568 /nfs/dbraw/zinc/80/25/68/527802568.db2.gz JQXOQDNUICXZRO-DLRQAJBASA-N 1 2 219.288 1.680 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493304588 527817602 /nfs/dbraw/zinc/81/76/02/527817602.db2.gz OUUTUSQZRPRSPN-KGASVMDVSA-N 1 2 219.288 1.728 20 0 BDADLO CC1(C)SC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493445223 527820844 /nfs/dbraw/zinc/82/08/44/527820844.db2.gz AVALYYFDEIXKRO-MPJRPATESA-N 1 2 237.328 1.433 20 0 BDADLO CC1(C2(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000493194232 527901655 /nfs/dbraw/zinc/90/16/55/527901655.db2.gz UFIUNUYSVRMIEE-IHWYPQMZSA-N 1 2 231.299 1.872 20 0 BDADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492899034 527932914 /nfs/dbraw/zinc/93/29/14/527932914.db2.gz LVZGWWYQZNNWKE-ARJAWSKDSA-N 1 2 219.288 1.729 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C/c1ccncc1 ZINC000494968116 527955408 /nfs/dbraw/zinc/95/54/08/527955408.db2.gz BYPILVFNGGWNCW-FYJFLYSWSA-N 1 2 248.326 1.978 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C/c1ccncc1 ZINC000494968116 527955411 /nfs/dbraw/zinc/95/54/11/527955411.db2.gz BYPILVFNGGWNCW-FYJFLYSWSA-N 1 2 248.326 1.978 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493419524 527980108 /nfs/dbraw/zinc/98/01/08/527980108.db2.gz MLIWOZMUHLYXDI-YAUPHVJRSA-N 1 2 233.315 1.974 20 0 BDADLO CC(C)O[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493230896 528076944 /nfs/dbraw/zinc/07/69/44/528076944.db2.gz XLZNOVUHOPTRHN-XVGAQQEPSA-N 1 2 249.314 1.495 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493718999 528135173 /nfs/dbraw/zinc/13/51/73/528135173.db2.gz HBDZLOKDXCMFFW-FSIBCCDJSA-N 1 2 231.299 1.848 20 0 BDADLO CCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000505756989 528180346 /nfs/dbraw/zinc/18/03/46/528180346.db2.gz PITSFMZUPHBQGS-SECBINFHSA-N 1 2 222.292 1.190 20 0 BDADLO CCC[C@H]([NH2+]Cc1nnn(C)n1)c1cccnc1 ZINC000494370068 528230639 /nfs/dbraw/zinc/23/06/39/528230639.db2.gz OVUOCAMFZUIBNO-NSHDSACASA-N 1 2 246.318 1.236 20 0 BDADLO CCO/C=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000492929961 528451355 /nfs/dbraw/zinc/45/13/55/528451355.db2.gz VBYZANKCTANNSW-BJMVGYQFSA-N 1 2 237.303 1.282 20 0 BDADLO CC(F)(F)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493772757 528719674 /nfs/dbraw/zinc/71/96/74/528719674.db2.gz SWEUSLRGIALSMG-ONEGZZNKSA-N 1 2 243.257 1.975 20 0 BDADLO CC(C)N(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000505236278 528768843 /nfs/dbraw/zinc/76/88/43/528768843.db2.gz WYBKDHVELIWWAI-UHFFFAOYSA-N 1 2 221.304 1.673 20 0 BDADLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000505225455 528781874 /nfs/dbraw/zinc/78/18/74/528781874.db2.gz RRHXLIXVSZNAJD-LLVKDONJSA-N 1 2 240.347 1.107 20 0 BDADLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000494647217 528816422 /nfs/dbraw/zinc/81/64/22/528816422.db2.gz HLXVYOIBPBNLLW-SECBINFHSA-N 1 2 248.334 1.570 20 0 BDADLO CC(C)N(CC(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493105100 528865047 /nfs/dbraw/zinc/86/50/47/528865047.db2.gz LECBZWODGCCAHT-ONEGZZNKSA-N 1 2 243.257 1.925 20 0 BDADLO CC1(C)CC(=O)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493327231 528878957 /nfs/dbraw/zinc/87/89/57/528878957.db2.gz UGRCLROTUCNAEB-ONEGZZNKSA-N 1 2 233.271 1.003 20 0 BDADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1O ZINC000492892154 529060866 /nfs/dbraw/zinc/06/08/66/529060866.db2.gz DZOQXEFTOHLPLM-BYCRGOAPSA-N 1 2 249.314 1.042 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccncc1 ZINC000494971260 529194819 /nfs/dbraw/zinc/19/48/19/529194819.db2.gz HJBLODJGTXSRAH-SCOBNMCVSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494971260 529194821 /nfs/dbraw/zinc/19/48/21/529194821.db2.gz HJBLODJGTXSRAH-SCOBNMCVSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762556 529203002 /nfs/dbraw/zinc/20/30/02/529203002.db2.gz HSCCBSLMZIJEOY-NRAIBSHISA-N 1 2 221.304 1.974 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(C)cn1 ZINC000505602298 529310111 /nfs/dbraw/zinc/31/01/11/529310111.db2.gz NELQCHNOGOTNAN-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(C)cn1 ZINC000505602298 529310113 /nfs/dbraw/zinc/31/01/13/529310113.db2.gz NELQCHNOGOTNAN-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC(C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000334316765 534990611 /nfs/dbraw/zinc/99/06/11/534990611.db2.gz SYWPQTRFNJSEJM-JTQLQIEISA-N 1 2 221.304 1.312 20 0 BDADLO CC(C)(C)[C@@H]1CCCN1Cc1noc(C[NH3+])n1 ZINC000262222183 535075208 /nfs/dbraw/zinc/07/52/08/535075208.db2.gz MTYHDFJOJPIMOG-VIFPVBQESA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCOCC12CC2 ZINC000335316797 535146376 /nfs/dbraw/zinc/14/63/76/535146376.db2.gz FTEUACLTPKWFDF-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCOCC12CC2 ZINC000335316797 535146381 /nfs/dbraw/zinc/14/63/81/535146381.db2.gz FTEUACLTPKWFDF-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334394743 535158272 /nfs/dbraw/zinc/15/82/72/535158272.db2.gz JTSILTDPGZZAIS-NEPJUHHUSA-N 1 2 249.358 1.948 20 0 BDADLO CCC1(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000176045725 535241971 /nfs/dbraw/zinc/24/19/71/535241971.db2.gz DMEFOQZUVDIJNQ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@@H](C)O ZINC000352214579 535397352 /nfs/dbraw/zinc/39/73/52/535397352.db2.gz ZZALOUWIPJVQSZ-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)C[C@@H](C)O ZINC000352214579 535397356 /nfs/dbraw/zinc/39/73/56/535397356.db2.gz ZZALOUWIPJVQSZ-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000348541507 535450796 /nfs/dbraw/zinc/45/07/96/535450796.db2.gz ZOOYMYDZGXANQV-ZDUSSCGKSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCc2ccc(O)cc2C1 ZINC000348541507 535450804 /nfs/dbraw/zinc/45/08/04/535450804.db2.gz ZOOYMYDZGXANQV-ZDUSSCGKSA-N 1 2 249.310 1.702 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000249368922 535621743 /nfs/dbraw/zinc/62/17/43/535621743.db2.gz OSGADUUQRDLZRD-CMPLNLGQSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C[C@H]1CCCO1)C1CC1 ZINC000249368922 535621748 /nfs/dbraw/zinc/62/17/48/535621748.db2.gz OSGADUUQRDLZRD-CMPLNLGQSA-N 1 2 241.331 1.581 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)OC ZINC000233999204 535712543 /nfs/dbraw/zinc/71/25/43/535712543.db2.gz IEQZYTGBTRURBG-LPEHRKFASA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248400700 535741682 /nfs/dbraw/zinc/74/16/82/535741682.db2.gz XZDNMLVTVAAUBX-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248400700 535741688 /nfs/dbraw/zinc/74/16/88/535741688.db2.gz XZDNMLVTVAAUBX-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CCOC1CC(C[N@H+](C)CC(F)F)C1 ZINC000352043523 535753363 /nfs/dbraw/zinc/75/33/63/535753363.db2.gz FIAFTVAUVQOIBM-UHFFFAOYSA-N 1 2 207.264 1.998 20 0 BDADLO CCOC1CC(C[N@@H+](C)CC(F)F)C1 ZINC000352043523 535753368 /nfs/dbraw/zinc/75/33/68/535753368.db2.gz FIAFTVAUVQOIBM-UHFFFAOYSA-N 1 2 207.264 1.998 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]CCn2cccn2)o1 ZINC000347994856 535857639 /nfs/dbraw/zinc/85/76/39/535857639.db2.gz DDXYBPMDBPVMMD-SECBINFHSA-N 1 2 235.291 1.179 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cncnc1 ZINC000260179880 536462765 /nfs/dbraw/zinc/46/27/65/536462765.db2.gz UGACMRYBZMDLAY-LBPRGKRZSA-N 1 2 249.314 1.394 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cncnc1 ZINC000260179880 536462767 /nfs/dbraw/zinc/46/27/67/536462767.db2.gz UGACMRYBZMDLAY-LBPRGKRZSA-N 1 2 249.314 1.394 20 0 BDADLO C[N@H+](Cc1ccccc1)Cc1nccc(N)n1 ZINC000258912196 536481270 /nfs/dbraw/zinc/48/12/70/536481270.db2.gz HSQZXORJFPZKKM-UHFFFAOYSA-N 1 2 228.299 1.691 20 0 BDADLO C[N@@H+](Cc1ccccc1)Cc1nccc(N)n1 ZINC000258912196 536481273 /nfs/dbraw/zinc/48/12/73/536481273.db2.gz HSQZXORJFPZKKM-UHFFFAOYSA-N 1 2 228.299 1.691 20 0 BDADLO COCCC[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000350247459 536548803 /nfs/dbraw/zinc/54/88/03/536548803.db2.gz KRONADIJGCHJHB-UHFFFAOYSA-N 1 2 237.278 1.583 20 0 BDADLO COC1(C)C[NH+](Cc2c(C)noc2C)C1 ZINC000335205124 536589010 /nfs/dbraw/zinc/58/90/10/536589010.db2.gz YXHPYLBUJLUFCS-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000227935192 536636682 /nfs/dbraw/zinc/63/66/82/536636682.db2.gz TYVGGUSZVSXLGB-QMMMGPOBSA-N 1 2 217.334 1.423 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348190096 536638407 /nfs/dbraw/zinc/63/84/07/536638407.db2.gz YFOKWEGATOZGDB-FXQIFTODSA-N 1 2 237.246 1.298 20 0 BDADLO COCc1cc(C[N@H+](C)CC[C@@H](C)O)no1 ZINC000219861856 536706832 /nfs/dbraw/zinc/70/68/32/536706832.db2.gz JNZWCCKEMSBFOR-SECBINFHSA-N 1 2 228.292 1.024 20 0 BDADLO COCc1cc(C[N@@H+](C)CC[C@@H](C)O)no1 ZINC000219861856 536706834 /nfs/dbraw/zinc/70/68/34/536706834.db2.gz JNZWCCKEMSBFOR-SECBINFHSA-N 1 2 228.292 1.024 20 0 BDADLO CNc1cc(N[C@H](CCO)C2CC2)nc[nH+]1 ZINC000892657945 582942566 /nfs/dbraw/zinc/94/25/66/582942566.db2.gz QUXLDPQLIGPUDV-SECBINFHSA-N 1 2 222.292 1.091 20 0 BDADLO CNc1cc(N[C@H](CCO)C2CC2)[nH+]cn1 ZINC000892657945 582942567 /nfs/dbraw/zinc/94/25/67/582942567.db2.gz QUXLDPQLIGPUDV-SECBINFHSA-N 1 2 222.292 1.091 20 0 BDADLO COc1ccc(NCc2ncc(C)o2)[nH+]c1 ZINC000231660489 566314825 /nfs/dbraw/zinc/31/48/25/566314825.db2.gz LOHKZRGTXIUGSQ-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000295115555 566388663 /nfs/dbraw/zinc/38/86/63/566388663.db2.gz VSESVZRROOGWAR-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000295115555 566388670 /nfs/dbraw/zinc/38/86/70/566388670.db2.gz VSESVZRROOGWAR-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000295115555 566388676 /nfs/dbraw/zinc/38/86/76/566388676.db2.gz VSESVZRROOGWAR-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000295115555 566388681 /nfs/dbraw/zinc/38/86/81/566388681.db2.gz VSESVZRROOGWAR-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cn1cnn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1=S ZINC000853581816 583058720 /nfs/dbraw/zinc/05/87/20/583058720.db2.gz ZLWQRMKLRIYIJJ-RKDXNWHRSA-N 1 2 224.333 1.250 20 0 BDADLO Cn1cnn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1=S ZINC000853581816 583058722 /nfs/dbraw/zinc/05/87/22/583058722.db2.gz ZLWQRMKLRIYIJJ-RKDXNWHRSA-N 1 2 224.333 1.250 20 0 BDADLO C/C=C/C[C@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000893660239 583189487 /nfs/dbraw/zinc/18/94/87/583189487.db2.gz BJRMAGVLTSKDHP-AFPRHGJPSA-N 1 2 243.347 1.633 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1[nH]nc(C)c1C ZINC000893995955 583268020 /nfs/dbraw/zinc/26/80/20/583268020.db2.gz WUYCHQVPQIMGQF-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1[nH]nc(C)c1C ZINC000893995955 583268021 /nfs/dbraw/zinc/26/80/21/583268021.db2.gz WUYCHQVPQIMGQF-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCOC2(C)C)[nH+]cn1 ZINC000894034950 583277899 /nfs/dbraw/zinc/27/78/99/583277899.db2.gz RKEMWAPXMAYMGH-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCOC2(C)C)nc[nH+]1 ZINC000894034950 583277904 /nfs/dbraw/zinc/27/79/04/583277904.db2.gz RKEMWAPXMAYMGH-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cnon2)C1 ZINC000852976694 588714845 /nfs/dbraw/zinc/71/48/45/588714845.db2.gz ZELPIBYDQOESBR-UHFFFAOYSA-N 1 2 247.302 1.377 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cnon2)C1 ZINC000852976694 588714846 /nfs/dbraw/zinc/71/48/46/588714846.db2.gz ZELPIBYDQOESBR-UHFFFAOYSA-N 1 2 247.302 1.377 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cnc(F)cn1 ZINC000853156364 588723085 /nfs/dbraw/zinc/72/30/85/588723085.db2.gz PZKWRKVLGSQZJQ-QMMMGPOBSA-N 1 2 221.239 1.313 20 0 BDADLO Cc1cccc(CCNc2cnc(F)cn2)[nH+]1 ZINC000853559249 588748759 /nfs/dbraw/zinc/74/87/59/588748759.db2.gz MVRAKFNICQZUBY-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Clc1cnn(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000853598637 588750095 /nfs/dbraw/zinc/75/00/95/588750095.db2.gz WCYLSUMFBHZULE-UHFFFAOYSA-N 1 2 227.695 1.216 20 0 BDADLO Clc1cnn(C[N@H+]2CCC3(COC3)C2)c1 ZINC000853598637 588750096 /nfs/dbraw/zinc/75/00/96/588750096.db2.gz WCYLSUMFBHZULE-UHFFFAOYSA-N 1 2 227.695 1.216 20 0 BDADLO S=c1scnn1C[N@@H+]1CCC2(COC2)C1 ZINC000853595623 588750168 /nfs/dbraw/zinc/75/01/68/588750168.db2.gz SMDPTNSQPHJLRX-UHFFFAOYSA-N 1 2 243.357 1.354 20 0 BDADLO S=c1scnn1C[N@H+]1CCC2(COC2)C1 ZINC000853595623 588750169 /nfs/dbraw/zinc/75/01/69/588750169.db2.gz SMDPTNSQPHJLRX-UHFFFAOYSA-N 1 2 243.357 1.354 20 0 BDADLO C[N@@H+](CC1=CCSC1)Cn1cc[nH]c1=S ZINC000853620593 588750384 /nfs/dbraw/zinc/75/03/84/588750384.db2.gz WGTAQJPKOSPSRL-UHFFFAOYSA-N 1 2 241.385 1.734 20 0 BDADLO C[N@H+](CC1=CCSC1)Cn1cc[nH]c1=S ZINC000853620593 588750385 /nfs/dbraw/zinc/75/03/85/588750385.db2.gz WGTAQJPKOSPSRL-UHFFFAOYSA-N 1 2 241.385 1.734 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@@H]1COC(C)(C)C1 ZINC000853674126 588754597 /nfs/dbraw/zinc/75/45/97/588754597.db2.gz SCGFREAAERWIFV-YUMQZZPRSA-N 1 2 216.281 1.087 20 0 BDADLO CC1(C)C[C@@H](O[NH+]=C(N)Cc2cccnc2)CO1 ZINC000853679086 588755118 /nfs/dbraw/zinc/75/51/18/588755118.db2.gz RYAJDZNUFBAGPP-LLVKDONJSA-N 1 2 249.314 1.690 20 0 BDADLO Cc1nc(NC[C@H]2COCO2)c2c([nH+]1)CCCC2 ZINC000853687339 588756264 /nfs/dbraw/zinc/75/62/64/588756264.db2.gz SWCBFFOSSFXPAG-JTQLQIEISA-N 1 2 249.314 1.449 20 0 BDADLO Cc1nc(NC[C@@H]2COCO2)c2c([nH+]1)CCCC2 ZINC000853687340 588756404 /nfs/dbraw/zinc/75/64/04/588756404.db2.gz SWCBFFOSSFXPAG-SNVBAGLBSA-N 1 2 249.314 1.449 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCC1(O)CCC1 ZINC000853689067 588756575 /nfs/dbraw/zinc/75/65/75/588756575.db2.gz XXLGPQOPEVJKDG-UHFFFAOYSA-N 1 2 244.335 1.605 20 0 BDADLO CC1(C)C[C@H](O[NH+]=C(N)[C@@H]2CCCO2)CO1 ZINC000853697775 588757340 /nfs/dbraw/zinc/75/73/40/588757340.db2.gz JZNFZMARGPWNEC-IUCAKERBSA-N 1 2 228.292 1.231 20 0 BDADLO NC(=[NH+]OCCC1CCC1)[C@H]1CCCO1 ZINC000853698168 588757790 /nfs/dbraw/zinc/75/77/90/588757790.db2.gz OEGJBVDAZNIRLA-SNVBAGLBSA-N 1 2 212.293 1.854 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@H+]([C@H]2CCOC2=O)C1 ZINC000854056207 588772673 /nfs/dbraw/zinc/77/26/73/588772673.db2.gz BKTYWRPTLPDUSU-NSHDSACASA-N 1 2 249.314 1.110 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@@H+]([C@H]2CCOC2=O)C1 ZINC000854056207 588772674 /nfs/dbraw/zinc/77/26/74/588772674.db2.gz BKTYWRPTLPDUSU-NSHDSACASA-N 1 2 249.314 1.110 20 0 BDADLO C[C@@H](NC(=O)/C=C\[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594204 588796473 /nfs/dbraw/zinc/79/64/73/588796473.db2.gz GUFUINATYRYYBT-OOMSKYPHSA-N 1 2 235.287 1.322 20 0 BDADLO C[C@@H](NC(=O)C=C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594204 588796474 /nfs/dbraw/zinc/79/64/74/588796474.db2.gz GUFUINATYRYYBT-OOMSKYPHSA-N 1 2 235.287 1.322 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(C1CCC1)C1CCC1 ZINC000854606446 588796955 /nfs/dbraw/zinc/79/69/55/588796955.db2.gz HZNDREWJYUTYIG-UHFFFAOYSA-N 1 2 233.315 1.886 20 0 BDADLO CC(C)(CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854669916 588800312 /nfs/dbraw/zinc/80/03/12/588800312.db2.gz TWGPBFGUFPRGEW-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CCOC1(C(=O)N[C@@H]2CCn3cc[nH+]c32)CCC1 ZINC000854685450 588801161 /nfs/dbraw/zinc/80/11/61/588801161.db2.gz LNBCNLVLQJGUQR-SNVBAGLBSA-N 1 2 249.314 1.403 20 0 BDADLO CCC(F)(F)C(=O)NCCc1cn(C)c[nH+]1 ZINC000854906249 588816364 /nfs/dbraw/zinc/81/63/64/588816364.db2.gz RNPUQFBNRXQBDQ-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854914720 588816683 /nfs/dbraw/zinc/81/66/83/588816683.db2.gz WZVGUTPRNCEXAD-DTWKUNHWSA-N 1 2 207.277 1.113 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C2CCCC2)C1 ZINC000854962510 588818884 /nfs/dbraw/zinc/81/88/84/588818884.db2.gz LNJAPYZFHLYKHL-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C2(CCC2)CO1 ZINC000855024575 588820886 /nfs/dbraw/zinc/82/08/86/588820886.db2.gz RLPLFJRMLRJGEN-JTQLQIEISA-N 1 2 249.314 1.122 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000112962042 588822229 /nfs/dbraw/zinc/82/22/29/588822229.db2.gz QRVBEBFRITWAHE-SNVBAGLBSA-N 1 2 243.738 1.852 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000112962042 588822230 /nfs/dbraw/zinc/82/22/30/588822230.db2.gz QRVBEBFRITWAHE-SNVBAGLBSA-N 1 2 243.738 1.852 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC1(Cl)Cl ZINC000855134131 588822826 /nfs/dbraw/zinc/82/28/26/588822826.db2.gz FRCJHSXLPTWWDF-SSDOTTSWSA-N 1 2 248.113 1.562 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC1(Cl)Cl ZINC000855134131 588822827 /nfs/dbraw/zinc/82/28/27/588822827.db2.gz FRCJHSXLPTWWDF-SSDOTTSWSA-N 1 2 248.113 1.562 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)CCCCO1 ZINC000855135111 588822898 /nfs/dbraw/zinc/82/28/98/588822898.db2.gz GBIKCKGASQVKMK-LBPRGKRZSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)CCCCO1 ZINC000855135111 588822899 /nfs/dbraw/zinc/82/28/99/588822899.db2.gz GBIKCKGASQVKMK-LBPRGKRZSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\C(C)(C)C ZINC000855134192 588822942 /nfs/dbraw/zinc/82/29/42/588822942.db2.gz IEFMWHGGLFJRJQ-WAYWQWQTSA-N 1 2 221.304 1.970 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\C(C)(C)C ZINC000855134192 588822943 /nfs/dbraw/zinc/82/29/43/588822943.db2.gz IEFMWHGGLFJRJQ-WAYWQWQTSA-N 1 2 221.304 1.970 20 0 BDADLO CC[C@H](C)N(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000855146137 588823269 /nfs/dbraw/zinc/82/32/69/588823269.db2.gz TXILMUPKFVFIQU-VIFPVBQESA-N 1 2 209.293 1.599 20 0 BDADLO CC=CC=CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135535 588823433 /nfs/dbraw/zinc/82/34/33/588823433.db2.gz NUAUWGPPRHJSRA-ICWBMWKASA-N 1 2 205.261 1.500 20 0 BDADLO CC=CC=CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135535 588823434 /nfs/dbraw/zinc/82/34/34/588823434.db2.gz NUAUWGPPRHJSRA-ICWBMWKASA-N 1 2 205.261 1.500 20 0 BDADLO CC[C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855390523 588830938 /nfs/dbraw/zinc/83/09/38/588830938.db2.gz SAZDXXUHOAQXEV-VIFPVBQESA-N 1 2 209.293 1.505 20 0 BDADLO CCC[C@H]([NH2+]Cc1cnn(C)n1)c1cccnc1 ZINC000806168462 582522840 /nfs/dbraw/zinc/52/28/40/582522840.db2.gz NKZKQDTUNUJXHM-ZDUSSCGKSA-N 1 2 245.330 1.841 20 0 BDADLO Clc1ncn(Cc2cn3ccccc3[nH+]2)n1 ZINC000806577618 582528018 /nfs/dbraw/zinc/52/80/18/582528018.db2.gz WHOMDJMDTVDRJT-UHFFFAOYSA-N 1 2 233.662 1.628 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C=CCC1 ZINC000855426482 588833708 /nfs/dbraw/zinc/83/37/08/588833708.db2.gz SKPUMQZYUDPWFP-LLVKDONJSA-N 1 2 219.288 1.498 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000812622639 582558037 /nfs/dbraw/zinc/55/80/37/582558037.db2.gz AWTRKULXDCIWGF-MNOVXSKESA-N 1 2 240.303 1.345 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C=CCC1 ZINC000855433955 588836067 /nfs/dbraw/zinc/83/60/67/588836067.db2.gz VGXKCAUFPYGUEF-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO Cn1ncc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000804849247 582608726 /nfs/dbraw/zinc/60/87/26/582608726.db2.gz INXYPLROWNMBRF-UHFFFAOYSA-N 1 2 230.275 1.095 20 0 BDADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]2CCC[C@@H]21 ZINC000891164941 582617746 /nfs/dbraw/zinc/61/77/46/582617746.db2.gz AAQXQWFBIHHBTD-NWDGAFQWSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/Cl ZINC000891202880 582628885 /nfs/dbraw/zinc/62/88/85/582628885.db2.gz WLMWXZOXAWGRFQ-SGJFDWMWSA-N 1 2 227.695 1.457 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/Cl ZINC000891202880 582628887 /nfs/dbraw/zinc/62/88/87/582628887.db2.gz WLMWXZOXAWGRFQ-SGJFDWMWSA-N 1 2 227.695 1.457 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)C1(C2CC2)CC1 ZINC000891257816 582642295 /nfs/dbraw/zinc/64/22/95/582642295.db2.gz VDAMGIAKNUNPAK-JTQLQIEISA-N 1 2 231.299 1.634 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C1(C2CC2)CC1 ZINC000891257827 582642573 /nfs/dbraw/zinc/64/25/73/582642573.db2.gz VDAMGIAKNUNPAK-SNVBAGLBSA-N 1 2 231.299 1.634 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000846090269 582644627 /nfs/dbraw/zinc/64/46/27/582644627.db2.gz FFDARUBOMJCLSF-WDEREUQCSA-N 1 2 242.363 1.859 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000846112681 582650650 /nfs/dbraw/zinc/65/06/50/582650650.db2.gz WQSDCOHPGJIRBB-QMMMGPOBSA-N 1 2 245.269 1.873 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000846112681 582650653 /nfs/dbraw/zinc/65/06/53/582650653.db2.gz WQSDCOHPGJIRBB-QMMMGPOBSA-N 1 2 245.269 1.873 20 0 BDADLO CCOc1ccc([NH2+][C@H](C)CCO)cc1CO ZINC000779421943 582670221 /nfs/dbraw/zinc/67/02/21/582670221.db2.gz GNTNTYMTABCFMU-SNVBAGLBSA-N 1 2 239.315 1.760 20 0 BDADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000855796372 588848690 /nfs/dbraw/zinc/84/86/90/588848690.db2.gz HERGBHMOUURSLQ-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO CCCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000891405524 582679253 /nfs/dbraw/zinc/67/92/53/582679253.db2.gz DNHZDWLSDVXTAJ-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000891405524 582679255 /nfs/dbraw/zinc/67/92/55/582679255.db2.gz DNHZDWLSDVXTAJ-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1COC2(CCC2)C1 ZINC000855658914 588843957 /nfs/dbraw/zinc/84/39/57/588843957.db2.gz QBYVPVWOAPEBTO-JTQLQIEISA-N 1 2 249.314 1.088 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1COC2(CCC2)C1 ZINC000855658914 588843958 /nfs/dbraw/zinc/84/39/58/588843958.db2.gz QBYVPVWOAPEBTO-JTQLQIEISA-N 1 2 249.314 1.088 20 0 BDADLO CSCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000891511010 582694588 /nfs/dbraw/zinc/69/45/88/582694588.db2.gz LXWHEQMYRJOQIU-MRVPVSSYSA-N 1 2 212.318 1.910 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(CC3CCC3)c2)CCO1 ZINC000891543037 582696092 /nfs/dbraw/zinc/69/60/92/582696092.db2.gz OPESOEGASNDVLD-GFCCVEGCSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(CC3CCC3)c2)CCO1 ZINC000891543037 582696095 /nfs/dbraw/zinc/69/60/95/582696095.db2.gz OPESOEGASNDVLD-GFCCVEGCSA-N 1 2 249.358 1.904 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000891672244 582708452 /nfs/dbraw/zinc/70/84/52/582708452.db2.gz VHNQLUCPCFFRTR-ZJUUUORDSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000891672244 582708454 /nfs/dbraw/zinc/70/84/54/582708454.db2.gz VHNQLUCPCFFRTR-ZJUUUORDSA-N 1 2 225.288 1.897 20 0 BDADLO CC[C@H]1COCCN1Cc1[nH+]ccn1C1CC1 ZINC000891716072 582712918 /nfs/dbraw/zinc/71/29/18/582712918.db2.gz KTWUNTXPZPYMOY-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000891715813 582713652 /nfs/dbraw/zinc/71/36/52/582713652.db2.gz HBGQSMLFRFDBPD-ZDUSSCGKSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000891715813 582713654 /nfs/dbraw/zinc/71/36/54/582713654.db2.gz HBGQSMLFRFDBPD-ZDUSSCGKSA-N 1 2 249.358 1.908 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cccc2nncn21 ZINC000891784576 582721002 /nfs/dbraw/zinc/72/10/02/582721002.db2.gz YZMDRONARFXXSS-SNVBAGLBSA-N 1 2 242.286 1.426 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000891825897 582727384 /nfs/dbraw/zinc/72/73/84/582727384.db2.gz MOTQEHUZEFWSMZ-RKDXNWHRSA-N 1 2 206.293 1.611 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000891825897 582727387 /nfs/dbraw/zinc/72/73/87/582727387.db2.gz MOTQEHUZEFWSMZ-RKDXNWHRSA-N 1 2 206.293 1.611 20 0 BDADLO CCN(CCOC)c1cc(N(C)C)[nH+]cn1 ZINC000891981431 582751954 /nfs/dbraw/zinc/75/19/54/582751954.db2.gz OXCSQVKFYGEDHB-UHFFFAOYSA-N 1 2 224.308 1.015 20 0 BDADLO CCN(CCOC)c1cc(N(C)C)nc[nH+]1 ZINC000891981431 582751956 /nfs/dbraw/zinc/75/19/56/582751956.db2.gz OXCSQVKFYGEDHB-UHFFFAOYSA-N 1 2 224.308 1.015 20 0 BDADLO COC[C@H](C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892025736 582765498 /nfs/dbraw/zinc/76/54/98/582765498.db2.gz VKYKKUVHEPWJNF-ZJUUUORDSA-N 1 2 224.304 1.829 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c(C)n1 ZINC000892048349 582773115 /nfs/dbraw/zinc/77/31/15/582773115.db2.gz KBBRSDWXXVRVLJ-RYUDHWBXSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c(C)n1 ZINC000892048349 582773116 /nfs/dbraw/zinc/77/31/16/582773116.db2.gz KBBRSDWXXVRVLJ-RYUDHWBXSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1 ZINC000892055472 582777918 /nfs/dbraw/zinc/77/79/18/582777918.db2.gz HRJSTZQKGGGBML-BETUJISGSA-N 1 2 235.331 1.575 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1 ZINC000892055472 582777919 /nfs/dbraw/zinc/77/79/19/582777919.db2.gz HRJSTZQKGGGBML-BETUJISGSA-N 1 2 235.331 1.575 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000892075253 582785762 /nfs/dbraw/zinc/78/57/62/582785762.db2.gz GKCGBGVHIHQGMT-LLVKDONJSA-N 1 2 235.331 1.686 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000892075253 582785764 /nfs/dbraw/zinc/78/57/64/582785764.db2.gz GKCGBGVHIHQGMT-LLVKDONJSA-N 1 2 235.331 1.686 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC3(CCC3)C2)c(C)n1 ZINC000892105912 582792410 /nfs/dbraw/zinc/79/24/10/582792410.db2.gz RBTJBKBSXVTVRU-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO CCn1cc(C[N@H+]2CCOC3(CCC3)C2)c(C)n1 ZINC000892105912 582792411 /nfs/dbraw/zinc/79/24/11/582792411.db2.gz RBTJBKBSXVTVRU-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cncs1 ZINC000889511328 582797142 /nfs/dbraw/zinc/79/71/42/582797142.db2.gz UHTYQURMWACTFE-QMMMGPOBSA-N 1 2 236.300 1.217 20 0 BDADLO CCCCC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000889526839 582818578 /nfs/dbraw/zinc/81/85/78/582818578.db2.gz UNUCTISPKNFMKL-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO CN(C)c1cc(N(C)C[C@H]2CCCO2)nc[nH+]1 ZINC000892271661 582824102 /nfs/dbraw/zinc/82/41/02/582824102.db2.gz VSMBRPCKIBRENY-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO CN(C)c1cc(N(C)C[C@H]2CCCO2)[nH+]cn1 ZINC000892271661 582824104 /nfs/dbraw/zinc/82/41/04/582824104.db2.gz VSMBRPCKIBRENY-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO Cc1cc(N2CC(O)C2)nc(C2CCC2)[nH+]1 ZINC000892288608 582828422 /nfs/dbraw/zinc/82/84/22/582828422.db2.gz RTIXDVKBRUSWBD-UHFFFAOYSA-N 1 2 219.288 1.233 20 0 BDADLO CN(C)c1cc(NC[C@@](C)(O)C2CC2)[nH+]cn1 ZINC000892482757 582896459 /nfs/dbraw/zinc/89/64/59/582896459.db2.gz WUYFGMOZIJBPRZ-GFCCVEGCSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@@](C)(O)C2CC2)nc[nH+]1 ZINC000892482757 582896460 /nfs/dbraw/zinc/89/64/60/582896460.db2.gz WUYFGMOZIJBPRZ-GFCCVEGCSA-N 1 2 236.319 1.116 20 0 BDADLO CCc1cc(N(C)Cc2cc[nH]n2)nc(CC)[nH+]1 ZINC000892481550 582896631 /nfs/dbraw/zinc/89/66/31/582896631.db2.gz NFDKKJCRHFIPGQ-UHFFFAOYSA-N 1 2 245.330 1.961 20 0 BDADLO CCC[C@](C)(O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892501931 582899294 /nfs/dbraw/zinc/89/92/94/582899294.db2.gz IAKXTSDUCYGNPK-LBPRGKRZSA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@](C)(O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892501931 582899297 /nfs/dbraw/zinc/89/92/97/582899297.db2.gz IAKXTSDUCYGNPK-LBPRGKRZSA-N 1 2 238.335 1.506 20 0 BDADLO CCc1cc(CNc2cc(N(C)C)nc[nH+]2)[nH]n1 ZINC000892505256 582900455 /nfs/dbraw/zinc/90/04/55/582900455.db2.gz QFTCAHPNOXZBME-UHFFFAOYSA-N 1 2 246.318 1.440 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@]2(C)CCOC2)[nH+]1 ZINC000892510330 582902137 /nfs/dbraw/zinc/90/21/37/582902137.db2.gz KMEOWGFHDDCVTN-ZWNOBZJWSA-N 1 2 236.315 1.973 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000856134734 588862380 /nfs/dbraw/zinc/86/23/80/588862380.db2.gz FBCVCMDEIJSCCX-NSHDSACASA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](C)CCO)[nH+]1 ZINC000892616403 582930469 /nfs/dbraw/zinc/93/04/69/582930469.db2.gz LGBWDCKZUNSCEP-IUCAKERBSA-N 1 2 210.277 1.318 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCC(=O)N(C)C2)[nH+]1 ZINC000892616073 582931322 /nfs/dbraw/zinc/93/13/22/582931322.db2.gz XHSWMSUUDWIJKW-UWVGGRQHSA-N 1 2 249.314 1.168 20 0 BDADLO CN(C)c1cc(N[C@H](CCO)C2CC2)[nH+]cn1 ZINC000892657419 582941544 /nfs/dbraw/zinc/94/15/44/582941544.db2.gz KUVRWFKSWNLRFK-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(N[C@H](CCO)C2CC2)nc[nH+]1 ZINC000892657419 582941547 /nfs/dbraw/zinc/94/15/47/582941547.db2.gz KUVRWFKSWNLRFK-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)nc2C2CC2)no1 ZINC000892676372 582949940 /nfs/dbraw/zinc/94/99/40/582949940.db2.gz KJWWYKOSFDXLFE-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(C)on2)c(C)n1 ZINC000892677279 582950779 /nfs/dbraw/zinc/95/07/79/582950779.db2.gz YFGREDVZINYHFU-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CC(C)[C@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892694776 582957635 /nfs/dbraw/zinc/95/76/35/582957635.db2.gz WBSKVZBOOPVULX-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)[C@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892694776 582957636 /nfs/dbraw/zinc/95/76/36/582957636.db2.gz WBSKVZBOOPVULX-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851749095 582966273 /nfs/dbraw/zinc/96/62/73/582966273.db2.gz AAAAIJKWTHTZDJ-SECBINFHSA-N 1 2 245.319 1.069 20 0 BDADLO C[C@H](CCO)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892729413 582971293 /nfs/dbraw/zinc/97/12/93/582971293.db2.gz BAJFFKKSAOLKHF-NXEZZACHSA-N 1 2 224.304 1.565 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCC=CO1)c1[nH+]ccn1C ZINC000856280069 588866908 /nfs/dbraw/zinc/86/69/08/588866908.db2.gz ISFOQMRKWUIVLD-NXEZZACHSA-N 1 2 235.287 1.290 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000892765303 582977467 /nfs/dbraw/zinc/97/74/67/582977467.db2.gz SRTYZAVDDPFHSJ-GHMZBOCLSA-N 1 2 248.330 1.574 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCCN(C)C2=O)[nH+]1 ZINC000892801309 582986143 /nfs/dbraw/zinc/98/61/43/582986143.db2.gz ONGGVSUKMOGMKT-GXSJLCMTSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000892841669 582994095 /nfs/dbraw/zinc/99/40/95/582994095.db2.gz WFKFQGASBOBZDX-KOLCDFICSA-N 1 2 236.319 1.408 20 0 BDADLO CCOC(=O)[C@H](C)CNc1nccn2c[nH+]cc12 ZINC000892848925 582994647 /nfs/dbraw/zinc/99/46/47/582994647.db2.gz XPJAXOPZYDHJHG-SECBINFHSA-N 1 2 248.286 1.340 20 0 BDADLO CN(C)c1cc(NCc2ncccc2F)[nH+]cn1 ZINC000892952031 583017478 /nfs/dbraw/zinc/01/74/78/583017478.db2.gz WRLLQXOKWLTCPI-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO CN(C)c1cc(NCc2ncccc2F)nc[nH+]1 ZINC000892952031 583017479 /nfs/dbraw/zinc/01/74/79/583017479.db2.gz WRLLQXOKWLTCPI-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000892955213 583020652 /nfs/dbraw/zinc/02/06/52/583020652.db2.gz GWTFYOHOTZHYPY-WDEREUQCSA-N 1 2 246.314 1.469 20 0 BDADLO CCn1cc(C[NH2+]Cc2cocn2)c(C)n1 ZINC000892977384 583024666 /nfs/dbraw/zinc/02/46/66/583024666.db2.gz QDFPRXQOMOWJAJ-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CC1=CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000892980088 583024770 /nfs/dbraw/zinc/02/47/70/583024770.db2.gz COGBKLYFGWPWCR-UHFFFAOYSA-N 1 2 231.303 1.488 20 0 BDADLO CC1=CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000892980088 583024772 /nfs/dbraw/zinc/02/47/72/583024772.db2.gz COGBKLYFGWPWCR-UHFFFAOYSA-N 1 2 231.303 1.488 20 0 BDADLO Cc1cncc(CNc2cc(N(C)C)nc[nH+]2)c1 ZINC000893019599 583031001 /nfs/dbraw/zinc/03/10/01/583031001.db2.gz ACGXXSNYSRIPKE-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1cncc(CNc2cc(N(C)C)[nH+]cn2)c1 ZINC000893019599 583031003 /nfs/dbraw/zinc/03/10/03/583031003.db2.gz ACGXXSNYSRIPKE-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CCc1cc(N2C[C@@H](CC)[C@H](O)C2)nc(CC)[nH+]1 ZINC000893031449 583033550 /nfs/dbraw/zinc/03/35/50/583033550.db2.gz ZLGVJNVCUNTKCM-ZYHUDNBSSA-N 1 2 249.358 1.809 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@H](C)CO1)c1[nH+]ccn1C ZINC000893045643 583036943 /nfs/dbraw/zinc/03/69/43/583036943.db2.gz ZMUXIJZBPATXIW-IVZWLZJFSA-N 1 2 237.303 1.022 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccoc2)c(Cl)n1 ZINC000856767454 588876239 /nfs/dbraw/zinc/87/62/39/588876239.db2.gz OZXTUKHMFUXAGT-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCC2CC2)c1 ZINC000893298279 583092868 /nfs/dbraw/zinc/09/28/68/583092868.db2.gz SZAJTMGGNBAWMX-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO CCc1noc(CC)c1C[NH2+]Cc1cnccn1 ZINC000856772199 588877171 /nfs/dbraw/zinc/87/71/71/588877171.db2.gz VALAQHOAZISJOV-UHFFFAOYSA-N 1 2 246.314 1.879 20 0 BDADLO OCCN(c1nccn2c[nH+]cc12)C1CCC1 ZINC000893389327 583134094 /nfs/dbraw/zinc/13/40/94/583134094.db2.gz UHAFVDRKZPPGCR-UHFFFAOYSA-N 1 2 232.287 1.081 20 0 BDADLO COc1ccc(F)c(C[NH2+]Cc2cn(C)cn2)c1 ZINC000856804164 588878739 /nfs/dbraw/zinc/87/87/39/588878739.db2.gz NIILCQSTLCHYLG-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000893409335 583138799 /nfs/dbraw/zinc/13/87/99/583138799.db2.gz TXZDAOPFGSDVIZ-BQBZGAKWSA-N 1 2 237.307 1.167 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000893409335 583138800 /nfs/dbraw/zinc/13/88/00/583138800.db2.gz TXZDAOPFGSDVIZ-BQBZGAKWSA-N 1 2 237.307 1.167 20 0 BDADLO CCc1cc(N2C[C@@H](O)C[C@@H]2C)nc(CC)[nH+]1 ZINC000893428940 583141896 /nfs/dbraw/zinc/14/18/96/583141896.db2.gz VUPFIAYDAKWPEH-ONGXEEELSA-N 1 2 235.331 1.561 20 0 BDADLO CC1CC(CNC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000856860996 588879285 /nfs/dbraw/zinc/87/92/85/588879285.db2.gz NLLHUYCBNJFMFK-VQXHTEKXSA-N 1 2 248.330 1.673 20 0 BDADLO CCOCC(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893515402 583155753 /nfs/dbraw/zinc/15/57/53/583155753.db2.gz GXFJSWCYTVPNMI-SECBINFHSA-N 1 2 224.260 1.216 20 0 BDADLO CSCCC(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893518634 583156210 /nfs/dbraw/zinc/15/62/10/583156210.db2.gz LIISPWZOTKNTFX-VIFPVBQESA-N 1 2 240.328 1.933 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2ccno2)o1 ZINC000893550663 583162875 /nfs/dbraw/zinc/16/28/75/583162875.db2.gz GILMEOSAFBKUJZ-UHFFFAOYSA-N 1 2 222.244 1.956 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccno2)nc1 ZINC000893550158 583162982 /nfs/dbraw/zinc/16/29/82/583162982.db2.gz BMAGHNAWENNVJD-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000893578291 583166393 /nfs/dbraw/zinc/16/63/93/583166393.db2.gz KSTIAZUXEHQSBA-RQJHMYQMSA-N 1 2 243.332 1.449 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](C)COC(C)=O)C(=O)OC ZINC000893600263 583170452 /nfs/dbraw/zinc/17/04/52/583170452.db2.gz UEVBUEVQYQJSTN-GXSJLCMTSA-N 1 2 245.319 1.259 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000893865622 583234459 /nfs/dbraw/zinc/23/44/59/583234459.db2.gz HOIRVCJRWJGXGS-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO CNc1cc(N[C@H](C)[C@H](C)OC)nc[nH+]1 ZINC000893917908 583246898 /nfs/dbraw/zinc/24/68/98/583246898.db2.gz ZPXMOCJDICROKA-SFYZADRCSA-N 1 2 210.281 1.354 20 0 BDADLO CNc1cc(N[C@H](C)[C@H](C)OC)[nH+]cn1 ZINC000893917908 583246901 /nfs/dbraw/zinc/24/69/01/583246901.db2.gz ZPXMOCJDICROKA-SFYZADRCSA-N 1 2 210.281 1.354 20 0 BDADLO Cc1coc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000893922231 583247888 /nfs/dbraw/zinc/24/78/88/583247888.db2.gz AXIUOXWYLPSQDE-UHFFFAOYSA-N 1 2 220.316 1.868 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ocnc1C ZINC000893961020 583256452 /nfs/dbraw/zinc/25/64/52/583256452.db2.gz BDVIEPOKOCHEES-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ocnc1C ZINC000893961020 583256454 /nfs/dbraw/zinc/25/64/54/583256454.db2.gz BDVIEPOKOCHEES-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO COCc1nccc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000893945106 583257597 /nfs/dbraw/zinc/25/75/97/583257597.db2.gz XYYKIONXVFWJQA-MRVPVSSYSA-N 1 2 233.275 1.519 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ocnc1C ZINC000893948737 583258644 /nfs/dbraw/zinc/25/86/44/583258644.db2.gz YDVZPGXLVKTQDK-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ocnc1C ZINC000893948737 583258647 /nfs/dbraw/zinc/25/86/47/583258647.db2.gz YDVZPGXLVKTQDK-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C\c1cccc(F)c1 ZINC000893948338 583258796 /nfs/dbraw/zinc/25/87/96/583258796.db2.gz UFMWYLLLDCURMD-XQRVVYSFSA-N 1 2 237.274 1.944 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC000893948338 583258797 /nfs/dbraw/zinc/25/87/97/583258797.db2.gz UFMWYLLLDCURMD-XQRVVYSFSA-N 1 2 237.274 1.944 20 0 BDADLO CO[C@@H](CNc1cccc([C@@H](C)O)[nH+]1)C1CC1 ZINC000893989340 583270625 /nfs/dbraw/zinc/27/06/25/583270625.db2.gz VQQXWCKNXOBAGI-SKDRFNHKSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1nsc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000894015324 583276272 /nfs/dbraw/zinc/27/62/72/583276272.db2.gz HRFPFUQEDBVISH-ZETCQYMHSA-N 1 2 221.289 1.600 20 0 BDADLO COCc1nccc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000894015412 583276366 /nfs/dbraw/zinc/27/63/66/583276366.db2.gz KYPCXAZEOCGNKO-SECBINFHSA-N 1 2 245.286 1.376 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H](C)CCO)C(=O)OCC ZINC000894029532 583281660 /nfs/dbraw/zinc/28/16/60/583281660.db2.gz ZFYZBPUEQKPJKA-FPNIURKZSA-N 1 2 229.320 1.245 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@H](C)CCCO)[nH+]1 ZINC000894029400 583282192 /nfs/dbraw/zinc/28/21/92/583282192.db2.gz DCSWFVJXVJBHPC-WDEREUQCSA-N 1 2 238.331 1.955 20 0 BDADLO CNc1cc(N2CC[C@@H](CCCO)C2)nc[nH+]1 ZINC000894133695 583313619 /nfs/dbraw/zinc/31/36/19/583313619.db2.gz HYVRPXHJCXTMNA-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CC[C@@H](CCCO)C2)[nH+]cn1 ZINC000894133695 583313622 /nfs/dbraw/zinc/31/36/22/583313622.db2.gz HYVRPXHJCXTMNA-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccn(C)n1 ZINC000894168676 583324420 /nfs/dbraw/zinc/32/44/20/583324420.db2.gz UNRBNHCGXHZZNZ-SECBINFHSA-N 1 2 246.318 1.449 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccn(C)n1 ZINC000894168676 583324422 /nfs/dbraw/zinc/32/44/22/583324422.db2.gz UNRBNHCGXHZZNZ-SECBINFHSA-N 1 2 246.318 1.449 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000894169321 583325014 /nfs/dbraw/zinc/32/50/14/583325014.db2.gz GZFVZHCBJGHNNH-BDAKNGLRSA-N 1 2 249.318 1.311 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000894169321 583325016 /nfs/dbraw/zinc/32/50/16/583325016.db2.gz GZFVZHCBJGHNNH-BDAKNGLRSA-N 1 2 249.318 1.311 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCCNC(=O)C1 ZINC000726790533 583374454 /nfs/dbraw/zinc/37/44/54/583374454.db2.gz WTHVOCAJQKVXTM-SNVBAGLBSA-N 1 2 236.290 1.709 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCCNC(=O)C1 ZINC000726790533 583374455 /nfs/dbraw/zinc/37/44/55/583374455.db2.gz WTHVOCAJQKVXTM-SNVBAGLBSA-N 1 2 236.290 1.709 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCCNC(=O)C1 ZINC000726790532 583374967 /nfs/dbraw/zinc/37/49/67/583374967.db2.gz WTHVOCAJQKVXTM-JTQLQIEISA-N 1 2 236.290 1.709 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCCNC(=O)C1 ZINC000726790532 583374968 /nfs/dbraw/zinc/37/49/68/583374968.db2.gz WTHVOCAJQKVXTM-JTQLQIEISA-N 1 2 236.290 1.709 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCCC1CC1 ZINC000878477761 583375406 /nfs/dbraw/zinc/37/54/06/583375406.db2.gz RWZCKQSADUKSHX-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCCC1CC1 ZINC000878477761 583375407 /nfs/dbraw/zinc/37/54/07/583375407.db2.gz RWZCKQSADUKSHX-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1=COCCC1 ZINC000857281927 588902517 /nfs/dbraw/zinc/90/25/17/588902517.db2.gz YAOISTGTTRQOAW-JTQLQIEISA-N 1 2 249.314 1.775 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)cc(=O)[nH]1 ZINC000894239087 583386607 /nfs/dbraw/zinc/38/66/07/583386607.db2.gz OOEWTNMWWSGFHU-UHFFFAOYSA-N 1 2 230.271 1.806 20 0 BDADLO C[C@@H]1C[C@@H](CO)CN(c2nccn3c[nH+]cc23)C1 ZINC000894245421 583389644 /nfs/dbraw/zinc/38/96/44/583389644.db2.gz LQIDCVQKKMYEJP-GHMZBOCLSA-N 1 2 246.314 1.184 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000894279973 583407742 /nfs/dbraw/zinc/40/77/42/583407742.db2.gz IHUCFZJZCRZMQB-GFCCVEGCSA-N 1 2 243.278 1.585 20 0 BDADLO CCOc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000894279973 583407745 /nfs/dbraw/zinc/40/77/45/583407745.db2.gz IHUCFZJZCRZMQB-GFCCVEGCSA-N 1 2 243.278 1.585 20 0 BDADLO O=C1CCN1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000857231619 588896963 /nfs/dbraw/zinc/89/69/63/588896963.db2.gz PPGUPKQLCBQSTR-GFCCVEGCSA-N 1 2 216.284 1.623 20 0 BDADLO O=C1CCN1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000857231619 588896964 /nfs/dbraw/zinc/89/69/64/588896964.db2.gz PPGUPKQLCBQSTR-GFCCVEGCSA-N 1 2 216.284 1.623 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](CN1CCC1=O)C2 ZINC000857233525 588898478 /nfs/dbraw/zinc/89/84/78/588898478.db2.gz CKKVPKNLTXNYJB-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](CN1CCC1=O)C2 ZINC000857233525 588898480 /nfs/dbraw/zinc/89/84/80/588898480.db2.gz CKKVPKNLTXNYJB-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO c1[nH]c(CNc2cnc3c(c2)COCC3)c[nH+]1 ZINC000894374413 583442094 /nfs/dbraw/zinc/44/20/94/583442094.db2.gz CGUFSMYKDLHXAN-UHFFFAOYSA-N 1 2 230.271 1.490 20 0 BDADLO c1[nH]cc(CNc2cnc3c(c2)COCC3)[nH+]1 ZINC000894374413 583442096 /nfs/dbraw/zinc/44/20/96/583442096.db2.gz CGUFSMYKDLHXAN-UHFFFAOYSA-N 1 2 230.271 1.490 20 0 BDADLO CCOCC[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879982806 583452497 /nfs/dbraw/zinc/45/24/97/583452497.db2.gz MPXXIZJRIFVCEE-NSHDSACASA-N 1 2 229.320 1.344 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1C ZINC000894421664 583454751 /nfs/dbraw/zinc/45/47/51/583454751.db2.gz FMZWUHVCQWIFIB-NWDGAFQWSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1C ZINC000894421664 583454754 /nfs/dbraw/zinc/45/47/54/583454754.db2.gz FMZWUHVCQWIFIB-NWDGAFQWSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C ZINC000894421666 583455867 /nfs/dbraw/zinc/45/58/67/583455867.db2.gz FMZWUHVCQWIFIB-VXGBXAGGSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C ZINC000894421666 583455869 /nfs/dbraw/zinc/45/58/69/583455869.db2.gz FMZWUHVCQWIFIB-VXGBXAGGSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1C ZINC000894430220 583456741 /nfs/dbraw/zinc/45/67/41/583456741.db2.gz BCVBQIFQHZPWGA-MNOVXSKESA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1C ZINC000894430220 583456743 /nfs/dbraw/zinc/45/67/43/583456743.db2.gz BCVBQIFQHZPWGA-MNOVXSKESA-N 1 2 223.320 1.229 20 0 BDADLO Cc1ccnc(N)c1C[NH2+]Cc1ccno1 ZINC000894452932 583462878 /nfs/dbraw/zinc/46/28/78/583462878.db2.gz OIWSYEOEUUQWQI-UHFFFAOYSA-N 1 2 218.260 1.250 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)o1 ZINC000894468671 583467687 /nfs/dbraw/zinc/46/76/87/583467687.db2.gz ZWSUNBMXBHENEN-SSDOTTSWSA-N 1 2 236.275 1.566 20 0 BDADLO COc1ccc(C[NH2+]Cc2nonc2C)nc1 ZINC000894465668 583468634 /nfs/dbraw/zinc/46/86/34/583468634.db2.gz ZHFVEFUCTQVZQB-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000894491661 583472480 /nfs/dbraw/zinc/47/24/80/583472480.db2.gz HKTZRJCXASTBDA-URLYPYJESA-N 1 2 234.303 1.018 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1C ZINC000894497695 583473060 /nfs/dbraw/zinc/47/30/60/583473060.db2.gz PCHAVBFTBNIJDW-PELKAZGASA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1C ZINC000894497695 583473062 /nfs/dbraw/zinc/47/30/62/583473062.db2.gz PCHAVBFTBNIJDW-PELKAZGASA-N 1 2 223.320 1.229 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCC[C@@]23CCOC3=O)c1C ZINC000894496862 583473573 /nfs/dbraw/zinc/47/35/73/583473573.db2.gz GHHYBPYFUPMGJR-ZDUSSCGKSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCC[C@@]23CCOC3=O)c1C ZINC000894496862 583473575 /nfs/dbraw/zinc/47/35/75/583473575.db2.gz GHHYBPYFUPMGJR-ZDUSSCGKSA-N 1 2 249.314 1.308 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000894513033 583475520 /nfs/dbraw/zinc/47/55/20/583475520.db2.gz APEDHILUDFEYLU-CBAPKCEASA-N 1 2 221.247 1.715 20 0 BDADLO CC[C@H](CO)Nc1cc(N[C@@H]2C=CCC2)nc[nH+]1 ZINC000894523133 583477878 /nfs/dbraw/zinc/47/78/78/583477878.db2.gz UIVYYCOISLYITP-GHMZBOCLSA-N 1 2 248.330 1.790 20 0 BDADLO CC[C@H](CO)Nc1cc(N[C@@H]2C=CCC2)[nH+]cn1 ZINC000894523133 583477879 /nfs/dbraw/zinc/47/78/79/583477879.db2.gz UIVYYCOISLYITP-GHMZBOCLSA-N 1 2 248.330 1.790 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3COC[C@@]3(C)C2)nc[nH+]1 ZINC000894564574 583484439 /nfs/dbraw/zinc/48/44/39/583484439.db2.gz STNSRLDCCODLNR-ZWNOBZJWSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3COC[C@@]3(C)C2)[nH+]cn1 ZINC000894564574 583484443 /nfs/dbraw/zinc/48/44/43/583484443.db2.gz STNSRLDCCODLNR-ZWNOBZJWSA-N 1 2 248.330 1.015 20 0 BDADLO C[C@]12COC[C@H]1CN(c1nccn3c[nH+]cc13)C2 ZINC000894564134 583484554 /nfs/dbraw/zinc/48/45/54/583484554.db2.gz OWXZKXSVRQAJNE-MFKMUULPSA-N 1 2 244.298 1.202 20 0 BDADLO Cc1cc(NCc2c[nH+]c[nH]2)cc(OCCO)c1 ZINC000894579968 583488351 /nfs/dbraw/zinc/48/83/51/583488351.db2.gz CRVKVFFIWARDDD-UHFFFAOYSA-N 1 2 247.298 1.701 20 0 BDADLO Cc1cc(NCc2c[nH]c[nH+]2)cc(OCCO)c1 ZINC000894579968 583488352 /nfs/dbraw/zinc/48/83/52/583488352.db2.gz CRVKVFFIWARDDD-UHFFFAOYSA-N 1 2 247.298 1.701 20 0 BDADLO COCc1nccc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000894590727 583488438 /nfs/dbraw/zinc/48/84/38/583488438.db2.gz GRMAZMYBLFHRIZ-SECBINFHSA-N 1 2 247.302 1.530 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000894586710 583488978 /nfs/dbraw/zinc/48/89/78/583488978.db2.gz SPCUJRCFDSCLCW-JTQLQIEISA-N 1 2 211.309 1.657 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000894586710 583488980 /nfs/dbraw/zinc/48/89/80/583488980.db2.gz SPCUJRCFDSCLCW-JTQLQIEISA-N 1 2 211.309 1.657 20 0 BDADLO COC(=O)c1ccc(CN(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000894586428 583489392 /nfs/dbraw/zinc/48/93/92/583489392.db2.gz PFACLEKFRKYIHQ-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000894600271 583490247 /nfs/dbraw/zinc/49/02/47/583490247.db2.gz CXHFWNGYRQXGCU-NSHDSACASA-N 1 2 248.305 1.774 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(F)nc1 ZINC000894587014 583490431 /nfs/dbraw/zinc/49/04/31/583490431.db2.gz YNUQVHWLGSCWHP-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO CCc1cc(NC2([C@@H](C)O)CC2)nc(CC)[nH+]1 ZINC000894600903 583491509 /nfs/dbraw/zinc/49/15/09/583491509.db2.gz NMORKTHQAYARDH-SECBINFHSA-N 1 2 235.331 1.927 20 0 BDADLO COC(=O)c1cnc(C[NH+]2[C@@H](C)C[C@@H]2C)s1 ZINC000894601014 583491522 /nfs/dbraw/zinc/49/15/22/583491522.db2.gz ONRGMJOTORDCNJ-YUMQZZPRSA-N 1 2 240.328 1.912 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1c(Cl)c(C)nn1C ZINC000894612729 583494740 /nfs/dbraw/zinc/49/47/40/583494740.db2.gz MLTQRFGJKPRRBM-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1c(Cl)c(C)nn1C ZINC000894612729 583494742 /nfs/dbraw/zinc/49/47/42/583494742.db2.gz MLTQRFGJKPRRBM-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO CCn1cc(C[NH2+]CC(C)(F)F)c(C)n1 ZINC000894625255 583496443 /nfs/dbraw/zinc/49/64/43/583496443.db2.gz QPOMNUXYCSJENR-UHFFFAOYSA-N 1 2 217.263 1.956 20 0 BDADLO Cc1coc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000894662297 583501583 /nfs/dbraw/zinc/50/15/83/583501583.db2.gz KSTBSJWXCYWYCQ-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1coc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000894662297 583501586 /nfs/dbraw/zinc/50/15/86/583501586.db2.gz KSTBSJWXCYWYCQ-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCn3ccnc32)cnc1F ZINC000894667098 583502099 /nfs/dbraw/zinc/50/20/99/583502099.db2.gz GDFOFGHHLGEYPN-NSHDSACASA-N 1 2 246.289 1.960 20 0 BDADLO Cn1nc2c(c1C[NH+]1CC3(CC3)C1)COCC2 ZINC000894664281 583502573 /nfs/dbraw/zinc/50/25/73/583502573.db2.gz SYVJPMYLJDPGSI-UHFFFAOYSA-N 1 2 233.315 1.089 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCn3ccnc32)c(C)n1 ZINC000894668144 583503649 /nfs/dbraw/zinc/50/36/49/583503649.db2.gz JUONMXGZTOGFAL-GFCCVEGCSA-N 1 2 245.330 1.643 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)CCCO)n1 ZINC000894661879 583504651 /nfs/dbraw/zinc/50/46/51/583504651.db2.gz DYSKQVJFXRACOM-UHFFFAOYSA-N 1 2 211.309 1.347 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)CCCO)n1 ZINC000894661879 583504652 /nfs/dbraw/zinc/50/46/52/583504652.db2.gz DYSKQVJFXRACOM-UHFFFAOYSA-N 1 2 211.309 1.347 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc(N(C)C)nc[nH+]2)C1 ZINC000894828556 583527314 /nfs/dbraw/zinc/52/73/14/583527314.db2.gz PLMBDVGCJCIPGP-AOOOYVTPSA-N 1 2 236.319 1.380 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc(N(C)C)[nH+]cn2)C1 ZINC000894828556 583527316 /nfs/dbraw/zinc/52/73/16/583527316.db2.gz PLMBDVGCJCIPGP-AOOOYVTPSA-N 1 2 236.319 1.380 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2C[C@@H](C)[C@H]2C)s1 ZINC000894861958 583535217 /nfs/dbraw/zinc/53/52/17/583535217.db2.gz PXYMMJLMOUTVAF-HTQZYQBOSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2C[C@@H](C)[C@H]2C)s1 ZINC000894861958 583535218 /nfs/dbraw/zinc/53/52/18/583535218.db2.gz PXYMMJLMOUTVAF-HTQZYQBOSA-N 1 2 240.328 1.770 20 0 BDADLO FC[C@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000894888158 583547502 /nfs/dbraw/zinc/54/75/02/583547502.db2.gz PLLQLGDCWVFSRH-NSHDSACASA-N 1 2 239.294 1.388 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000894917989 583555213 /nfs/dbraw/zinc/55/52/13/583555213.db2.gz RAEOKBIYKFVJAL-MWLCHTKSSA-N 1 2 223.320 1.488 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000894917989 583555215 /nfs/dbraw/zinc/55/52/15/583555215.db2.gz RAEOKBIYKFVJAL-MWLCHTKSSA-N 1 2 223.320 1.488 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCC(C)(C)SC ZINC000894971753 583561010 /nfs/dbraw/zinc/56/10/10/583561010.db2.gz GSYBUIFUAVYWSZ-LLVKDONJSA-N 1 2 249.376 1.032 20 0 BDADLO Cc1ncoc1C[NH+]1CC(O)(C(C)C)C1 ZINC000894970700 583561424 /nfs/dbraw/zinc/56/14/24/583561424.db2.gz LAYIUEOZFQBYTB-UHFFFAOYSA-N 1 2 210.277 1.186 20 0 BDADLO CCn1ccc(C[NH2+][C@H](C)c2cnccn2)n1 ZINC000894990716 583564039 /nfs/dbraw/zinc/56/40/39/583564039.db2.gz IRSUTFHPNFLNTC-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO COc1ccc(CNc2cc(CO)cc[nH+]2)o1 ZINC000894989024 583564994 /nfs/dbraw/zinc/56/49/94/583564994.db2.gz QFABKFKVVHOCDW-UHFFFAOYSA-N 1 2 234.255 1.788 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1C ZINC000895014225 583567899 /nfs/dbraw/zinc/56/78/99/583567899.db2.gz HVXMOJWVXMZRHV-VXGBXAGGSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1C ZINC000895014225 583567900 /nfs/dbraw/zinc/56/79/00/583567900.db2.gz HVXMOJWVXMZRHV-VXGBXAGGSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1nnc([C@H]2CC[N@H+](Cc3cocn3)C2)[nH]1 ZINC000895011291 583568481 /nfs/dbraw/zinc/56/84/81/583568481.db2.gz CTDSREDQIHSCPT-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nnc([C@H]2CC[N@@H+](Cc3cocn3)C2)[nH]1 ZINC000895011291 583568483 /nfs/dbraw/zinc/56/84/83/583568483.db2.gz CTDSREDQIHSCPT-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cocn3)C2)n1 ZINC000895011291 583568485 /nfs/dbraw/zinc/56/84/85/583568485.db2.gz CTDSREDQIHSCPT-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cocn3)C2)n1 ZINC000895011291 583568486 /nfs/dbraw/zinc/56/84/86/583568486.db2.gz CTDSREDQIHSCPT-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3cocn3)C2)n[nH]1 ZINC000895011291 583568487 /nfs/dbraw/zinc/56/84/87/583568487.db2.gz CTDSREDQIHSCPT-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3cocn3)C2)n[nH]1 ZINC000895011291 583568489 /nfs/dbraw/zinc/56/84/89/583568489.db2.gz CTDSREDQIHSCPT-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc(N(C)Cc2ncccn2)cc[nH+]1 ZINC000895063794 583577448 /nfs/dbraw/zinc/57/74/48/583577448.db2.gz YUNJDWWPIBNGKV-UHFFFAOYSA-N 1 2 215.260 1.211 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cnn(C)c2C)o1 ZINC000183456436 583586677 /nfs/dbraw/zinc/58/66/77/583586677.db2.gz HSPRYTPHBKRCOI-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@@H](C)CCO ZINC000895106478 583590081 /nfs/dbraw/zinc/59/00/81/583590081.db2.gz XIMIORUKZIYKSH-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cccn1C ZINC000895113304 583590872 /nfs/dbraw/zinc/59/08/72/583590872.db2.gz IMEDHPZECFYAEK-GARJFASQSA-N 1 2 235.331 1.122 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cccn1C ZINC000895113304 583590875 /nfs/dbraw/zinc/59/08/75/583590875.db2.gz IMEDHPZECFYAEK-GARJFASQSA-N 1 2 235.331 1.122 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cncs1 ZINC000895119205 583592959 /nfs/dbraw/zinc/59/29/59/583592959.db2.gz WIGFWUJAPHZZEH-XHNCKOQMSA-N 1 2 239.344 1.240 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cncs1 ZINC000895119205 583592960 /nfs/dbraw/zinc/59/29/60/583592960.db2.gz WIGFWUJAPHZZEH-XHNCKOQMSA-N 1 2 239.344 1.240 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)ccn1 ZINC000895120621 583594190 /nfs/dbraw/zinc/59/41/90/583594190.db2.gz NAQZSMLRLCKHJJ-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)ccn1 ZINC000895120621 583594191 /nfs/dbraw/zinc/59/41/91/583594191.db2.gz NAQZSMLRLCKHJJ-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO CO[C@H]1C[C@H](CNc2cccc([C@H](C)O)[nH+]2)C1 ZINC000895131382 583601190 /nfs/dbraw/zinc/60/11/90/583601190.db2.gz HUSIFOXSBSRPRZ-DCAQKATOSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1[nH+]cnc(NC[C@]2(O)CCO[C@H]2C)c1C ZINC000882281494 583603782 /nfs/dbraw/zinc/60/37/82/583603782.db2.gz GOSNIIYALHCRQV-CMPLNLGQSA-N 1 2 237.303 1.045 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCCCC[C@@H]2CO)c1C ZINC000895150664 583606362 /nfs/dbraw/zinc/60/63/62/583606362.db2.gz NOPJADGCBMAPGB-GFCCVEGCSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCCCC[C@@H]2CO)c1C ZINC000895150664 583606363 /nfs/dbraw/zinc/60/63/63/583606363.db2.gz NOPJADGCBMAPGB-GFCCVEGCSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@@H+](C)C[C@H]2C)o1 ZINC000335329824 583613030 /nfs/dbraw/zinc/61/30/30/583613030.db2.gz MLFFFXLCUOLLKD-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@H+](C)C[C@H]2C)o1 ZINC000335329824 583613031 /nfs/dbraw/zinc/61/30/31/583613031.db2.gz MLFFFXLCUOLLKD-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C1N=NC(=O)N1C)c1ccccn1 ZINC000895174859 583614752 /nfs/dbraw/zinc/61/47/52/583614752.db2.gz HRXGBRKUWMYUEK-BDAKNGLRSA-N 1 2 247.302 1.328 20 0 BDADLO Cc1cn(C)nc1C(=O)OCCCn1cc[nH+]c1 ZINC000840691889 583615668 /nfs/dbraw/zinc/61/56/68/583615668.db2.gz OSBANERQJIALGU-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO Cc1cc(C[NH2+]C[C@@H]2CC(C)=NO2)no1 ZINC000895299244 583640955 /nfs/dbraw/zinc/64/09/55/583640955.db2.gz AMTWTWVVEGDNDE-JTQLQIEISA-N 1 2 209.249 1.237 20 0 BDADLO FC(F)[C@H]1CC[N@@H+]1CCC[C@@H]1CCO1 ZINC000895431882 583670630 /nfs/dbraw/zinc/67/06/30/583670630.db2.gz RPWQNHAZJRRXOI-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@H]1CC[N@H+]1CCC[C@@H]1CCO1 ZINC000895431882 583670631 /nfs/dbraw/zinc/67/06/31/583670631.db2.gz RPWQNHAZJRRXOI-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO Cn1ncc2c1CN(Cc1[nH+]ccn1C1CC1)C2 ZINC000895426945 583667972 /nfs/dbraw/zinc/66/79/72/583667972.db2.gz KUGDGRNGZFNXJM-UHFFFAOYSA-N 1 2 243.314 1.467 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@H]1C(F)F)C1CCOCC1 ZINC000895431357 583670189 /nfs/dbraw/zinc/67/01/89/583670189.db2.gz LLVVNSSFOFPWGN-QWRGUYRKSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@H]1C(F)F)C1CCOCC1 ZINC000895431357 583670191 /nfs/dbraw/zinc/67/01/91/583670191.db2.gz LLVVNSSFOFPWGN-QWRGUYRKSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000895458096 583677101 /nfs/dbraw/zinc/67/71/01/583677101.db2.gz CIHKSXYGPANPEZ-KCJUWKMLSA-N 1 2 241.360 1.929 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000895473862 583679248 /nfs/dbraw/zinc/67/92/48/583679248.db2.gz TXOIUSUUHJFELR-UHFFFAOYSA-N 1 2 242.706 1.223 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000895473862 583679249 /nfs/dbraw/zinc/67/92/49/583679249.db2.gz TXOIUSUUHJFELR-UHFFFAOYSA-N 1 2 242.706 1.223 20 0 BDADLO C[C@]1(Br)C[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC000895535345 583683950 /nfs/dbraw/zinc/68/39/50/583683950.db2.gz ZMCDMTZDAQZZDL-XPUUQOCRSA-N 1 2 245.124 1.068 20 0 BDADLO C[C@]1(Br)C[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC000895535345 583683951 /nfs/dbraw/zinc/68/39/51/583683951.db2.gz ZMCDMTZDAQZZDL-XPUUQOCRSA-N 1 2 245.124 1.068 20 0 BDADLO CC(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)=C1CCC1 ZINC000857886299 588921286 /nfs/dbraw/zinc/92/12/86/588921286.db2.gz WXOBPPMHVAQVBI-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000895541136 583688028 /nfs/dbraw/zinc/68/80/28/583688028.db2.gz OWELZXFOQZISJK-UHFFFAOYSA-N 1 2 233.271 1.570 20 0 BDADLO COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000895541136 583688029 /nfs/dbraw/zinc/68/80/29/583688029.db2.gz OWELZXFOQZISJK-UHFFFAOYSA-N 1 2 233.271 1.570 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000895541776 583688501 /nfs/dbraw/zinc/68/85/01/583688501.db2.gz YILKTPDHLHVCBJ-UHFFFAOYSA-N 1 2 247.298 1.960 20 0 BDADLO CCOc1ccc(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000895541776 583688502 /nfs/dbraw/zinc/68/85/02/583688502.db2.gz YILKTPDHLHVCBJ-UHFFFAOYSA-N 1 2 247.298 1.960 20 0 BDADLO NC(=O)CC1CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000895541929 583688507 /nfs/dbraw/zinc/68/85/07/583688507.db2.gz CJWOVOACWKVIAT-UHFFFAOYSA-N 1 2 246.314 1.420 20 0 BDADLO C/C=C/C=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857892962 588921740 /nfs/dbraw/zinc/92/17/40/588921740.db2.gz NAKGJERUPSTERK-WZKPRXTQSA-N 1 2 217.272 1.056 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1F ZINC000895655653 583701917 /nfs/dbraw/zinc/70/19/17/583701917.db2.gz WJDJNELJFKOHMU-JMCQJSRRSA-N 1 2 241.237 1.237 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1F ZINC000895655653 583701918 /nfs/dbraw/zinc/70/19/18/583701918.db2.gz WJDJNELJFKOHMU-JMCQJSRRSA-N 1 2 241.237 1.237 20 0 BDADLO CN(C)c1c[nH+]cc(NC2CCN(C=O)CC2)c1 ZINC000895700345 583709492 /nfs/dbraw/zinc/70/94/92/583709492.db2.gz QVIJRAUGEYCXCT-UHFFFAOYSA-N 1 2 248.330 1.180 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2ccnn2C2CCC2)n1 ZINC000895704764 583710279 /nfs/dbraw/zinc/71/02/79/583710279.db2.gz PYRJQLIBDLYGKM-UHFFFAOYSA-N 1 2 231.303 1.621 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)CC1CCCC1)[C@@H](C)O ZINC000895744064 583715876 /nfs/dbraw/zinc/71/58/76/583715876.db2.gz UFLKYGJQNRIHCK-FOGDFJRCSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]1[C@@H](Nc2nnc(C(F)F)o2)CC[N@@H+]1C ZINC000895737842 583717910 /nfs/dbraw/zinc/71/79/10/583717910.db2.gz ZFRQEQVYQDGSQF-RITPCOANSA-N 1 2 232.234 1.512 20 0 BDADLO C[C@@H]1[C@@H](Nc2nnc(C(F)F)o2)CC[N@H+]1C ZINC000895737842 583717913 /nfs/dbraw/zinc/71/79/13/583717913.db2.gz ZFRQEQVYQDGSQF-RITPCOANSA-N 1 2 232.234 1.512 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](C/C=C\Cl)CC2 ZINC000857924678 588924492 /nfs/dbraw/zinc/92/44/92/588924492.db2.gz DMXAKDBYXWKEFN-IWQZZHSRSA-N 1 2 224.695 1.169 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](C/C=C\Cl)CC2 ZINC000857924678 588924493 /nfs/dbraw/zinc/92/44/93/588924493.db2.gz DMXAKDBYXWKEFN-IWQZZHSRSA-N 1 2 224.695 1.169 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@H](C)CC2)[nH+]1 ZINC000895758418 583721287 /nfs/dbraw/zinc/72/12/87/583721287.db2.gz SAKFOQISJQBWMX-SECBINFHSA-N 1 2 246.314 1.882 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1=CCCCO1 ZINC000857948573 588924860 /nfs/dbraw/zinc/92/48/60/588924860.db2.gz MVDSLRIBGGBASA-SNVBAGLBSA-N 1 2 247.298 1.008 20 0 BDADLO CC(C)(C[NH2+][C@H]1CCOC1=O)Oc1ccccc1 ZINC000895808698 583729849 /nfs/dbraw/zinc/72/98/49/583729849.db2.gz MOTXQFYWYAQBKP-LBPRGKRZSA-N 1 2 249.310 1.749 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000895804879 583732000 /nfs/dbraw/zinc/73/20/00/583732000.db2.gz NCOCWJAJJHDYMI-AXFHLTTASA-N 1 2 239.315 1.239 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCC2=CCCC2)c1 ZINC000895846801 583736177 /nfs/dbraw/zinc/73/61/77/583736177.db2.gz ZZAIKTGEUFNZCU-UHFFFAOYSA-N 1 2 234.303 1.330 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963043 588925627 /nfs/dbraw/zinc/92/56/27/588925627.db2.gz QELMVCWLWAMGFA-NSHDSACASA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000895905063 583743122 /nfs/dbraw/zinc/74/31/22/583743122.db2.gz HOXJKKHDXNJZKK-SCZZXKLOSA-N 1 2 219.288 1.801 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000895905562 583744263 /nfs/dbraw/zinc/74/42/63/583744263.db2.gz NXCCNPIRAKFYTG-ONGXEEELSA-N 1 2 248.330 1.745 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000895905562 583744265 /nfs/dbraw/zinc/74/42/65/583744265.db2.gz NXCCNPIRAKFYTG-ONGXEEELSA-N 1 2 248.330 1.745 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000895906504 583744910 /nfs/dbraw/zinc/74/49/10/583744910.db2.gz ZHXNLKYEDSLSCX-MNOVXSKESA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000895906504 583744912 /nfs/dbraw/zinc/74/49/12/583744912.db2.gz ZHXNLKYEDSLSCX-MNOVXSKESA-N 1 2 248.330 1.524 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857975370 588926101 /nfs/dbraw/zinc/92/61/01/588926101.db2.gz MYTZSJKHWNLJJE-ZJUUUORDSA-N 1 2 233.315 1.880 20 0 BDADLO CO[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857974682 588926331 /nfs/dbraw/zinc/92/63/31/588926331.db2.gz ISDJBDIJYPEBSE-CMPLNLGQSA-N 1 2 249.314 1.259 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857975369 588926451 /nfs/dbraw/zinc/92/64/51/588926451.db2.gz MYTZSJKHWNLJJE-VHSXEESVSA-N 1 2 233.315 1.880 20 0 BDADLO CCO[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857976004 588926463 /nfs/dbraw/zinc/92/64/63/588926463.db2.gz VHELKVNSNIOJRE-CMPLNLGQSA-N 1 2 249.314 1.259 20 0 BDADLO Cc1n[nH]cc1C[NH+]1CC(OC(C)C)C1 ZINC000895953280 583752227 /nfs/dbraw/zinc/75/22/27/583752227.db2.gz WEQGDXAHUBKEGT-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]c(CN2CC(OC(C)C)C2)[nH+]c1C ZINC000895956043 583752667 /nfs/dbraw/zinc/75/26/67/583752667.db2.gz JDXIUPQFUNRVEH-UHFFFAOYSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc3c2OCC3)CCO1 ZINC000895964511 583753714 /nfs/dbraw/zinc/75/37/14/583753714.db2.gz XKQDRVNXHCQHEI-CYBMUJFWSA-N 1 2 249.310 1.426 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc3c2OCC3)CCO1 ZINC000895964511 583753715 /nfs/dbraw/zinc/75/37/15/583753715.db2.gz XKQDRVNXHCQHEI-CYBMUJFWSA-N 1 2 249.310 1.426 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)o1 ZINC000895980992 583757832 /nfs/dbraw/zinc/75/78/32/583757832.db2.gz YZIAQCXGRVFWNZ-JTQLQIEISA-N 1 2 243.328 1.253 20 0 BDADLO CC(C(=O)N[C@@H]1CCn2c[nH+]cc21)=C1CCC1 ZINC000857978653 588927014 /nfs/dbraw/zinc/92/70/14/588927014.db2.gz POELJHQAZGJNDB-LLVKDONJSA-N 1 2 231.299 1.945 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(C)(F)F ZINC000857978867 588927392 /nfs/dbraw/zinc/92/73/92/588927392.db2.gz RDTYNOPYQSPAOQ-SFYZADRCSA-N 1 2 243.257 1.735 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CC2(C1)CCCC2)[C@@H](C)O ZINC000896041541 583766779 /nfs/dbraw/zinc/76/67/79/583766779.db2.gz NGCUQJVYHKSRSZ-KOLCDFICSA-N 1 2 241.331 1.221 20 0 BDADLO CCOc1cncc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000639368404 583768695 /nfs/dbraw/zinc/76/86/95/583768695.db2.gz WYPXAFREQLANDN-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CCCC23CC3)c1 ZINC000896079431 583769427 /nfs/dbraw/zinc/76/94/27/583769427.db2.gz LBBPGEORCHRNSQ-LLVKDONJSA-N 1 2 248.330 1.552 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1=CCCCO1 ZINC000857982132 588928029 /nfs/dbraw/zinc/92/80/29/588928029.db2.gz GETRWSFOGISARL-SECBINFHSA-N 1 2 233.271 1.138 20 0 BDADLO O=C(C[C@H]1CCCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983450 588928391 /nfs/dbraw/zinc/92/83/91/588928391.db2.gz RZTPNUAKWPHJEC-MNOVXSKESA-N 1 2 249.314 1.403 20 0 BDADLO C[C@@H]1CO[C@@H](c2nc(Cc3c[nH+]cn3C)no2)C1 ZINC000896165514 583776847 /nfs/dbraw/zinc/77/68/47/583776847.db2.gz MYLHWEYVTMNVFD-WCBMZHEXSA-N 1 2 248.286 1.491 20 0 BDADLO Cc1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)s1 ZINC000857983483 588928432 /nfs/dbraw/zinc/92/84/32/588928432.db2.gz ARGAGURTIAGOQK-MRVPVSSYSA-N 1 2 248.311 1.523 20 0 BDADLO CCC[C@@H](O)CCNc1cc(CO)cc[nH+]1 ZINC000896182393 583778937 /nfs/dbraw/zinc/77/89/37/583778937.db2.gz JUTQRUYKCVMOKQ-LLVKDONJSA-N 1 2 224.304 1.537 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857983773 588928694 /nfs/dbraw/zinc/92/86/94/588928694.db2.gz UYZUGHMRCGLZOW-PSASIEDQSA-N 1 2 219.288 1.490 20 0 BDADLO CSCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989201 588929138 /nfs/dbraw/zinc/92/91/38/588929138.db2.gz MHKFHQLZSITNNW-MRVPVSSYSA-N 1 2 225.317 1.197 20 0 BDADLO CSCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986992 588929386 /nfs/dbraw/zinc/92/93/86/588929386.db2.gz QSYCJQZIJHCAOD-VIFPVBQESA-N 1 2 239.344 1.587 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988114 588929433 /nfs/dbraw/zinc/92/94/33/588929433.db2.gz BJPVBQHXSKZBMH-SNVBAGLBSA-N 1 2 235.287 1.203 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857990222 588929752 /nfs/dbraw/zinc/92/97/52/588929752.db2.gz VYEGLAJBWRKWOU-JTQLQIEISA-N 1 2 231.255 1.659 20 0 BDADLO COCc1cc(C[N@@H+]2CCOC[C@H](C)C2)no1 ZINC000896598963 583816817 /nfs/dbraw/zinc/81/68/17/583816817.db2.gz HTJLOTUNSGXGJB-SNVBAGLBSA-N 1 2 240.303 1.289 20 0 BDADLO COCc1cc(C[N@H+]2CCOC[C@H](C)C2)no1 ZINC000896598963 583816818 /nfs/dbraw/zinc/81/68/18/583816818.db2.gz HTJLOTUNSGXGJB-SNVBAGLBSA-N 1 2 240.303 1.289 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ncc(F)cn1)C2 ZINC000896652565 583820761 /nfs/dbraw/zinc/82/07/61/583820761.db2.gz BIEVEYCGPWZUGO-UHFFFAOYSA-N 1 2 247.277 1.395 20 0 BDADLO c1ccc(NCc2noc3c2COCC3)[nH+]c1 ZINC000896704392 583823577 /nfs/dbraw/zinc/82/35/77/583823577.db2.gz JTIPKHRSKLUMJG-UHFFFAOYSA-N 1 2 231.255 1.754 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCCC2CC2)c[nH+]1 ZINC000896699643 583825072 /nfs/dbraw/zinc/82/50/72/583825072.db2.gz DJNIFCFYZUVNJW-UHFFFAOYSA-N 1 2 235.331 1.843 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000795983128 583840976 /nfs/dbraw/zinc/84/09/76/583840976.db2.gz ABAXQGBAZOZWQE-QWRGUYRKSA-N 1 2 240.303 1.487 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CCC(=O)C2)[nH+]c1C ZINC000896907157 583851506 /nfs/dbraw/zinc/85/15/06/583851506.db2.gz ITNGYBNINHLFTK-SECBINFHSA-N 1 2 235.287 1.012 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cccnc2F)[nH+]c1C ZINC000896911018 583852954 /nfs/dbraw/zinc/85/29/54/583852954.db2.gz YDZBBWKCGLQJGP-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO CC[C@H](SC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896916939 583855315 /nfs/dbraw/zinc/85/53/15/583855315.db2.gz UUYMTASBCAFBJH-VIFPVBQESA-N 1 2 241.360 1.784 20 0 BDADLO CS[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896921864 583856785 /nfs/dbraw/zinc/85/67/85/583856785.db2.gz IBZZGASALVIANB-QMMMGPOBSA-N 1 2 227.333 1.394 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc[nH]c2=O)[nH+]c1C ZINC000896928138 583859681 /nfs/dbraw/zinc/85/96/81/583859681.db2.gz QLUNTUMHRFYUKZ-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO CCN(CCC(=O)NC)c1cc[nH+]cc1F ZINC000896978415 583865757 /nfs/dbraw/zinc/86/57/57/583865757.db2.gz SBRVXSFLLKZHBH-UHFFFAOYSA-N 1 2 225.267 1.183 20 0 BDADLO Cc1nc(NCc2cnn(CCF)c2)cc[nH+]1 ZINC000896991751 583867027 /nfs/dbraw/zinc/86/70/27/583867027.db2.gz HWMPNIYNHYOWTE-UHFFFAOYSA-N 1 2 235.266 1.563 20 0 BDADLO c1ccc(N2CCC[C@@H]2C2OCCO2)[nH+]c1 ZINC000897009637 583869625 /nfs/dbraw/zinc/86/96/25/583869625.db2.gz DLRNOTGVSAVADI-SNVBAGLBSA-N 1 2 220.272 1.423 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1(C2CC2)CC1 ZINC000897048367 583873284 /nfs/dbraw/zinc/87/32/84/583873284.db2.gz JZUCYBIQJMZQOR-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897071801 583877908 /nfs/dbraw/zinc/87/79/08/583877908.db2.gz MRWJHOCPLVSNBL-OQEOFVATSA-N 1 2 232.283 1.162 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CC23CC(O)C3)c1C ZINC000897086305 583878428 /nfs/dbraw/zinc/87/84/28/583878428.db2.gz CWFCLUMDAPBZRD-SQLBVSGCSA-N 1 2 219.288 1.419 20 0 BDADLO CCc1cc(N[C@@H]2CC23CC(O)C3)nc(CC)[nH+]1 ZINC000897087372 583878457 /nfs/dbraw/zinc/87/84/57/583878457.db2.gz MNYRJDOPUDYBMP-IQLKVPPVSA-N 1 2 247.342 1.927 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897177172 583889864 /nfs/dbraw/zinc/88/98/64/583889864.db2.gz KQJWLRMVIKEQFY-DJLDLDEBSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897177172 583889867 /nfs/dbraw/zinc/88/98/67/583889867.db2.gz KQJWLRMVIKEQFY-DJLDLDEBSA-N 1 2 234.303 1.668 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897180031 583891058 /nfs/dbraw/zinc/89/10/58/583891058.db2.gz NQJRGMVJQDWHJZ-WCABBAIRSA-N 1 2 243.314 1.964 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C(C)(C)C)n2)[nH]1 ZINC000897209532 583895579 /nfs/dbraw/zinc/89/55/79/583895579.db2.gz RVUPPHWZBIGTEQ-UHFFFAOYSA-N 1 2 246.318 1.813 20 0 BDADLO Nc1[nH+]cnc(NC2CC(CCO)C2)c1Cl ZINC000897233798 583898800 /nfs/dbraw/zinc/89/88/00/583898800.db2.gz GCEXLSZQTOTCLD-UHFFFAOYSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC2CC(CCO)C2)c1Cl ZINC000897233798 583898801 /nfs/dbraw/zinc/89/88/01/583898801.db2.gz GCEXLSZQTOTCLD-UHFFFAOYSA-N 1 2 242.710 1.285 20 0 BDADLO Cc1nc(NC2CC(CCO)C2)cc[nH+]1 ZINC000897234804 583899757 /nfs/dbraw/zinc/89/97/57/583899757.db2.gz QCTUVBHVNFAVFO-UHFFFAOYSA-N 1 2 207.277 1.358 20 0 BDADLO COc1ccc(C[NH2+]Cc2cncc(O)c2)o1 ZINC000897305619 583913180 /nfs/dbraw/zinc/91/31/80/583913180.db2.gz YSVIYZHQULZRPS-UHFFFAOYSA-N 1 2 234.255 1.679 20 0 BDADLO O=[S@@](Cc1[nH+]ccn1CC(F)F)C1CCC1 ZINC000871611436 583939485 /nfs/dbraw/zinc/93/94/85/583939485.db2.gz OVQJBPHYFVVSJG-INIZCTEOSA-N 1 2 248.298 1.949 20 0 BDADLO O[C@@H]1CCN(c2cc[nH+]cc2F)C[C@H]1F ZINC000897379478 583946699 /nfs/dbraw/zinc/94/66/99/583946699.db2.gz IVOCBUFOLPIQBL-PSASIEDQSA-N 1 2 214.215 1.130 20 0 BDADLO Cc1nc(NCc2cnc3n2CCOC3)cc[nH+]1 ZINC000897409527 583957800 /nfs/dbraw/zinc/95/78/00/583957800.db2.gz NZTYLYRGNHNSSE-UHFFFAOYSA-N 1 2 245.286 1.124 20 0 BDADLO COc1cccc(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000752817114 583962178 /nfs/dbraw/zinc/96/21/78/583962178.db2.gz PNHSTAMXRJQESD-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO Cn1c[nH+]cc1COc1cccc(C(N)=O)c1 ZINC000753116303 583972247 /nfs/dbraw/zinc/97/22/47/583972247.db2.gz ABGACFXBMNNWAW-UHFFFAOYSA-N 1 2 231.255 1.098 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2COC[C@H]2C2CC2)[nH+]1 ZINC000897449569 583986838 /nfs/dbraw/zinc/98/68/38/583986838.db2.gz ANFNVOZXKTWVMQ-GAFUQQFSSA-N 1 2 248.326 1.972 20 0 BDADLO CCC/C=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000729357327 583994853 /nfs/dbraw/zinc/99/48/53/583994853.db2.gz IDNDSNVAFDUBCN-FJOGCWAESA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000729357327 583994855 /nfs/dbraw/zinc/99/48/55/583994855.db2.gz IDNDSNVAFDUBCN-FJOGCWAESA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H](CNc1nccnc1F)Cn1cc[nH+]c1 ZINC000858354086 588948422 /nfs/dbraw/zinc/94/84/22/588948422.db2.gz PXAWHSLRCHZDRT-SECBINFHSA-N 1 2 235.266 1.560 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1O ZINC000897681036 584039224 /nfs/dbraw/zinc/03/92/24/584039224.db2.gz XZXAUEDXAPOSGV-POYBYMJQSA-N 1 2 249.236 1.241 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1O ZINC000897681036 584039225 /nfs/dbraw/zinc/03/92/25/584039225.db2.gz XZXAUEDXAPOSGV-POYBYMJQSA-N 1 2 249.236 1.241 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(C2CC2)CC1 ZINC000897729460 584045956 /nfs/dbraw/zinc/04/59/56/584045956.db2.gz BAELOHRMNSYLEN-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000898042438 584080634 /nfs/dbraw/zinc/08/06/34/584080634.db2.gz QSMUQCFPPTUGIZ-GFCCVEGCSA-N 1 2 228.299 1.592 20 0 BDADLO Cn1nncc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160479 584087715 /nfs/dbraw/zinc/08/77/15/584087715.db2.gz GWNKOBHYFUBOJU-UHFFFAOYSA-N 1 2 232.287 1.083 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898182846 584093007 /nfs/dbraw/zinc/09/30/07/584093007.db2.gz GRRSOYBLJIGRDB-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898182846 584093010 /nfs/dbraw/zinc/09/30/10/584093010.db2.gz GRRSOYBLJIGRDB-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO COc1ccsc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186051 584093243 /nfs/dbraw/zinc/09/32/43/584093243.db2.gz AIYMIJNBANQNQN-RKDXNWHRSA-N 1 2 245.319 1.661 20 0 BDADLO COc1ccsc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186051 584093245 /nfs/dbraw/zinc/09/32/45/584093245.db2.gz AIYMIJNBANQNQN-RKDXNWHRSA-N 1 2 245.319 1.661 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898182125 584093543 /nfs/dbraw/zinc/09/35/43/584093543.db2.gz ATPHPTHHCIJBAH-QWRGUYRKSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898182125 584093546 /nfs/dbraw/zinc/09/35/46/584093546.db2.gz ATPHPTHHCIJBAH-QWRGUYRKSA-N 1 2 213.252 1.493 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898194802 584096179 /nfs/dbraw/zinc/09/61/79/584096179.db2.gz PALVBYWGCJDZPV-NEPJUHHUSA-N 1 2 225.263 1.297 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898194802 584096180 /nfs/dbraw/zinc/09/61/80/584096180.db2.gz PALVBYWGCJDZPV-NEPJUHHUSA-N 1 2 225.263 1.297 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cn1 ZINC000898194417 584096325 /nfs/dbraw/zinc/09/63/25/584096325.db2.gz YUVNKKPSEZIEHJ-NWDGAFQWSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cn1 ZINC000898194417 584096326 /nfs/dbraw/zinc/09/63/26/584096326.db2.gz YUVNKKPSEZIEHJ-NWDGAFQWSA-N 1 2 241.310 1.369 20 0 BDADLO C[C@H]([NH2+]CC[C@H](O)C1CC1)C(=O)OC(C)(C)C ZINC000898198538 584098275 /nfs/dbraw/zinc/09/82/75/584098275.db2.gz DTFOQXBVSZENEJ-ONGXEEELSA-N 1 2 243.347 1.467 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000898252357 584101319 /nfs/dbraw/zinc/10/13/19/584101319.db2.gz BPFLBNACOHKDLH-YUSALJHKSA-N 1 2 248.330 1.408 20 0 BDADLO CCC(F)(F)CNC(=O)NCc1c[nH+]cn1C ZINC000858464068 588957506 /nfs/dbraw/zinc/95/75/06/588957506.db2.gz ASHPFNOONHBZPH-UHFFFAOYSA-N 1 2 246.261 1.265 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898392043 584130685 /nfs/dbraw/zinc/13/06/85/584130685.db2.gz BPYJMUYZXXVOPI-ZIAGYGMSSA-N 1 2 243.310 1.466 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N(C2CC2)C2CC2)c1 ZINC000898616032 584145876 /nfs/dbraw/zinc/14/58/76/584145876.db2.gz VAYBHFBKGYOKGE-UHFFFAOYSA-N 1 2 234.303 1.257 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC(F)CC2)c1 ZINC000898615403 584147307 /nfs/dbraw/zinc/14/73/07/584147307.db2.gz KBXRUTSSQFEVSO-UHFFFAOYSA-N 1 2 240.282 1.064 20 0 BDADLO CC(C)(CNC(=O)CC(F)(F)F)n1cc[nH+]c1 ZINC000898899354 584164985 /nfs/dbraw/zinc/16/49/85/584164985.db2.gz JAQPCMZIKMHBND-UHFFFAOYSA-N 1 2 249.236 1.687 20 0 BDADLO CSCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899555 584165301 /nfs/dbraw/zinc/16/53/01/584165301.db2.gz NVCFYFVHYHBWCJ-UHFFFAOYSA-N 1 2 241.360 1.488 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899143178 584176870 /nfs/dbraw/zinc/17/68/70/584176870.db2.gz VQZQJVIMEWAYHK-MVZIDQBPSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000899143178 584176871 /nfs/dbraw/zinc/17/68/71/584176871.db2.gz VQZQJVIMEWAYHK-MVZIDQBPSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000899143178 584176872 /nfs/dbraw/zinc/17/68/72/584176872.db2.gz VQZQJVIMEWAYHK-MVZIDQBPSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000899143178 584176873 /nfs/dbraw/zinc/17/68/73/584176873.db2.gz VQZQJVIMEWAYHK-MVZIDQBPSA-N 1 2 248.330 1.482 20 0 BDADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000858579167 588968201 /nfs/dbraw/zinc/96/82/01/588968201.db2.gz NDWHDYGSJPLTHY-YUMQZZPRSA-N 1 2 243.332 1.202 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)C12CCC2 ZINC000899356905 584205798 /nfs/dbraw/zinc/20/57/98/584205798.db2.gz WQUJUAUOKXNALA-UHFFFAOYSA-N 1 2 246.314 1.662 20 0 BDADLO C[C@H]1C[C@H](Nc2nccnc2F)c2[nH+]ccn21 ZINC000858563546 588966189 /nfs/dbraw/zinc/96/61/89/588966189.db2.gz XAGJTVKSYLPXPB-YUMQZZPRSA-N 1 2 233.250 1.930 20 0 BDADLO CC(C)OC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000899901511 584249986 /nfs/dbraw/zinc/24/99/86/584249986.db2.gz NSRPPRBAPNRVNR-CQSZACIVSA-N 1 2 235.327 1.829 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccn1 ZINC000899961803 584260071 /nfs/dbraw/zinc/26/00/71/584260071.db2.gz ALPZWLPIGZPANR-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)c1ccccn1 ZINC000899961803 584260072 /nfs/dbraw/zinc/26/00/72/584260072.db2.gz ALPZWLPIGZPANR-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO Cc1ccccc1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000899972055 584260554 /nfs/dbraw/zinc/26/05/54/584260554.db2.gz HHNJOQZOXAFERW-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO Cc1ccccc1CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000899972055 584260555 /nfs/dbraw/zinc/26/05/55/584260555.db2.gz HHNJOQZOXAFERW-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO C[C@@H](CCc1ccco1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000899976638 584262824 /nfs/dbraw/zinc/26/28/24/584262824.db2.gz AJPSDSPSYAUPRO-JTQLQIEISA-N 1 2 247.298 1.683 20 0 BDADLO C[C@@H](CCc1ccco1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000899976638 584262825 /nfs/dbraw/zinc/26/28/25/584262825.db2.gz AJPSDSPSYAUPRO-JTQLQIEISA-N 1 2 247.298 1.683 20 0 BDADLO O=C(CCF)NCCc1cn2ccccc2[nH+]1 ZINC000900056938 584268162 /nfs/dbraw/zinc/26/81/62/584268162.db2.gz AWZAITYUWQSDIO-UHFFFAOYSA-N 1 2 235.262 1.353 20 0 BDADLO C[C@@H](N(C)C(=O)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000900119658 584274677 /nfs/dbraw/zinc/27/46/77/584274677.db2.gz QLJTVLIUUHQTER-SECBINFHSA-N 1 2 223.320 1.845 20 0 BDADLO O=C(CCF)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000900120862 584275525 /nfs/dbraw/zinc/27/55/25/584275525.db2.gz JEFOGWQUFYHSKD-UHFFFAOYSA-N 1 2 248.261 1.243 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900203891 584286020 /nfs/dbraw/zinc/28/60/20/584286020.db2.gz NMWJQPGXDATOIA-UWVGGRQHSA-N 1 2 219.288 1.266 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000900235210 584287685 /nfs/dbraw/zinc/28/76/85/584287685.db2.gz MCNMLRIWSFSACM-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900235210 584287687 /nfs/dbraw/zinc/28/76/87/584287687.db2.gz MCNMLRIWSFSACM-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCF ZINC000900338937 584294129 /nfs/dbraw/zinc/29/41/29/584294129.db2.gz BXWILGFVBGPQGG-SNVBAGLBSA-N 1 2 241.310 1.774 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900363516 584296388 /nfs/dbraw/zinc/29/63/88/584296388.db2.gz BMWGEPKEXIBTDQ-RKDXNWHRSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900363516 584296389 /nfs/dbraw/zinc/29/63/89/584296389.db2.gz BMWGEPKEXIBTDQ-RKDXNWHRSA-N 1 2 209.293 1.503 20 0 BDADLO CN(CC(C)(C)C)C(=O)CNc1cccc[nH+]1 ZINC000900515718 584320755 /nfs/dbraw/zinc/32/07/55/584320755.db2.gz QZGZZWQUCJGFOJ-UHFFFAOYSA-N 1 2 235.331 1.998 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C1CCC1 ZINC000900548797 584321301 /nfs/dbraw/zinc/32/13/01/584321301.db2.gz GUJGWLCNAXAWOR-LBPRGKRZSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCF)N1CC(Oc2cc[nH+]cc2)C1 ZINC000900538665 584323916 /nfs/dbraw/zinc/32/39/16/584323916.db2.gz LYTPWWAQABSGDS-UHFFFAOYSA-N 1 2 224.235 1.031 20 0 BDADLO CC(C)c1nc(N2CC3(C2)CCCO3)cc[nH+]1 ZINC000858722248 588975199 /nfs/dbraw/zinc/97/51/99/588975199.db2.gz VKVDJWWIENTIDX-UHFFFAOYSA-N 1 2 233.315 1.969 20 0 BDADLO CCC(CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900584778 584331630 /nfs/dbraw/zinc/33/16/30/584331630.db2.gz AHRHPVQKRCGINL-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CCC(CC)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900584778 584331631 /nfs/dbraw/zinc/33/16/31/584331631.db2.gz AHRHPVQKRCGINL-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900619681 584332785 /nfs/dbraw/zinc/33/27/85/584332785.db2.gz VKOADKZWOTUTRR-FYJFLYSWSA-N 1 2 234.299 1.468 20 0 BDADLO CCOCc1cn(Cc2cc(C)cc(C)[nH+]2)nn1 ZINC000900623666 584332788 /nfs/dbraw/zinc/33/27/88/584332788.db2.gz DRVNYXQRFIJDCG-UHFFFAOYSA-N 1 2 246.314 1.875 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)CCF)cn21 ZINC000900645629 584338232 /nfs/dbraw/zinc/33/82/32/584338232.db2.gz SZZURHXFJYMGRL-UHFFFAOYSA-N 1 2 235.262 1.619 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCC1CC1 ZINC000900760522 584346344 /nfs/dbraw/zinc/34/63/44/584346344.db2.gz IVUIJBDYZQUUOI-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCCC1CC1 ZINC000900760522 584346346 /nfs/dbraw/zinc/34/63/46/584346346.db2.gz IVUIJBDYZQUUOI-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccsc1 ZINC000900742214 584348476 /nfs/dbraw/zinc/34/84/76/584348476.db2.gz NSJZJBUFOAPOOV-ONGXEEELSA-N 1 2 240.328 1.142 20 0 BDADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccsc1 ZINC000900742214 584348479 /nfs/dbraw/zinc/34/84/79/584348479.db2.gz NSJZJBUFOAPOOV-ONGXEEELSA-N 1 2 240.328 1.142 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000900818520 584354495 /nfs/dbraw/zinc/35/44/95/584354495.db2.gz LWPWGFQOZMCSKJ-GFCCVEGCSA-N 1 2 244.298 1.615 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000900818520 584354498 /nfs/dbraw/zinc/35/44/98/584354498.db2.gz LWPWGFQOZMCSKJ-GFCCVEGCSA-N 1 2 244.298 1.615 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000900843754 584356292 /nfs/dbraw/zinc/35/62/92/584356292.db2.gz LKSBTEPSXYFUIZ-AOOOYVTPSA-N 1 2 219.288 1.067 20 0 BDADLO CCSCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900894150 584361713 /nfs/dbraw/zinc/36/17/13/584361713.db2.gz CJRVPWVJFLSYMC-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO CCSCC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900894150 584361715 /nfs/dbraw/zinc/36/17/15/584361715.db2.gz CJRVPWVJFLSYMC-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO C[C@H](c1noc([C@H](C)[NH+](C)C)n1)c1cnccn1 ZINC000858842405 588978473 /nfs/dbraw/zinc/97/84/73/588978473.db2.gz RSNNPELYCRHVHZ-IUCAKERBSA-N 1 2 247.302 1.634 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3COC(=O)[C@@H]3C2)cc[nH+]1 ZINC000858849467 588978522 /nfs/dbraw/zinc/97/85/22/588978522.db2.gz QUZHZYHYBMTBPP-NXEZZACHSA-N 1 2 247.298 1.209 20 0 BDADLO CSC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999085 584374926 /nfs/dbraw/zinc/37/49/26/584374926.db2.gz WYPLOHFNNZCJEE-SNAWJCMRSA-N 1 2 225.317 1.519 20 0 BDADLO CS/C=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999085 584374929 /nfs/dbraw/zinc/37/49/29/584374929.db2.gz WYPLOHFNNZCJEE-SNAWJCMRSA-N 1 2 225.317 1.519 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H](O)C(C)(C)C)[nH+]c1C ZINC000900997802 584375086 /nfs/dbraw/zinc/37/50/86/584375086.db2.gz OSTIYMNFHMXDIH-JTQLQIEISA-N 1 2 239.319 1.050 20 0 BDADLO Cc1[nH]c(CNC(=O)C(=O)C(C)(C)C)[nH+]c1C ZINC000900996130 584375357 /nfs/dbraw/zinc/37/53/57/584375357.db2.gz CXBLPFHYCGFJFC-UHFFFAOYSA-N 1 2 237.303 1.258 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CCF ZINC000901118382 584386343 /nfs/dbraw/zinc/38/63/43/584386343.db2.gz NVQLAVXQLIUZNU-UHFFFAOYSA-N 1 2 213.256 1.091 20 0 BDADLO CSC[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901117359 584386719 /nfs/dbraw/zinc/38/67/19/584386719.db2.gz MUXUIASCEYJWES-JTQLQIEISA-N 1 2 239.344 1.306 20 0 BDADLO COCC(C)(C)CC(=O)NC1=[NH+]CCS1 ZINC000901154519 584392204 /nfs/dbraw/zinc/39/22/04/584392204.db2.gz NRGXHNGWGPPMBM-UHFFFAOYSA-N 1 2 230.333 1.268 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000901284201 584421450 /nfs/dbraw/zinc/42/14/50/584421450.db2.gz WQJJFVDLRRBOQP-ILWJIGKKSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000901284201 584421451 /nfs/dbraw/zinc/42/14/51/584421451.db2.gz WQJJFVDLRRBOQP-ILWJIGKKSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)CNc2cccc[nH+]2)CCO1 ZINC000901293409 584423408 /nfs/dbraw/zinc/42/34/08/584423408.db2.gz FOXSFXZNIDXSNM-QWRGUYRKSA-N 1 2 249.314 1.177 20 0 BDADLO CC[C@@H](CSC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901328001 584424056 /nfs/dbraw/zinc/42/40/56/584424056.db2.gz AEYUIUUWEZYPIT-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CC[C@@H](CSC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901328001 584424058 /nfs/dbraw/zinc/42/40/58/584424058.db2.gz AEYUIUUWEZYPIT-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO c1cn(Cc2[nH]nc3c2COCC3)c(C2CC2)[nH+]1 ZINC000901586725 584464986 /nfs/dbraw/zinc/46/49/86/584464986.db2.gz JNMSHWRUAVCPKH-UHFFFAOYSA-N 1 2 244.298 1.605 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@]1(C)CCCCO1)C1CC1 ZINC000901603476 584468255 /nfs/dbraw/zinc/46/82/55/584468255.db2.gz NYXYGIIUKCIFSD-WCQYABFASA-N 1 2 241.331 1.487 20 0 BDADLO FC(F)Cn1cc[nH+]c1CSC1COC1 ZINC000901632732 584471944 /nfs/dbraw/zinc/47/19/44/584471944.db2.gz LHDXVOISGYGEFG-UHFFFAOYSA-N 1 2 234.271 1.780 20 0 BDADLO O=C(OCCF)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000858943708 588986589 /nfs/dbraw/zinc/98/65/89/588986589.db2.gz RVQWUDDDGBVPHN-JTQLQIEISA-N 1 2 241.266 1.626 20 0 BDADLO c1c(CSC2COC2)[nH+]c2ccccn12 ZINC000901643956 584474243 /nfs/dbraw/zinc/47/42/43/584474243.db2.gz MIIOOXQAAVTNCH-UHFFFAOYSA-N 1 2 220.297 1.966 20 0 BDADLO c1cn(CCSCCO[C@H]2CCOC2)c[nH+]1 ZINC000901839167 584500044 /nfs/dbraw/zinc/50/00/44/584500044.db2.gz ZAIQIVCPBLAUTG-NSHDSACASA-N 1 2 242.344 1.422 20 0 BDADLO Cc1nc(NCc2[nH]c(C)c(C)[nH+]2)n[nH]1 ZINC000902076739 584520019 /nfs/dbraw/zinc/52/00/19/584520019.db2.gz MAQHGOYJKUJWRF-UHFFFAOYSA-N 1 2 206.253 1.065 20 0 BDADLO COc1nccc(CNc2cc[nH+]c(C)n2)c1F ZINC000902127589 584529111 /nfs/dbraw/zinc/52/91/11/584529111.db2.gz UNJSCVYNESNKSX-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO CCn1ncc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000902124267 584529327 /nfs/dbraw/zinc/52/93/27/584529327.db2.gz YRXCPZIDSDJXNL-UHFFFAOYSA-N 1 2 245.286 1.345 20 0 BDADLO Cc1nc(NCc2c3c(nn2C)CCC3)cc[nH+]1 ZINC000902127065 584529387 /nfs/dbraw/zinc/52/93/87/584529387.db2.gz LMIFOXZIFRVTJK-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)OCCF ZINC000859070568 588996837 /nfs/dbraw/zinc/99/68/37/588996837.db2.gz AUKNUDHSIQPNJS-UHFFFAOYSA-N 1 2 229.255 1.311 20 0 BDADLO O=C1c2ccccc2CN1C[N@H+]1CC=CCC1 ZINC000902214974 584538232 /nfs/dbraw/zinc/53/82/32/584538232.db2.gz YGRHEIZCIVPFFI-UHFFFAOYSA-N 1 2 228.295 1.862 20 0 BDADLO O=C1c2ccccc2CN1C[N@@H+]1CC=CCC1 ZINC000902214974 584538233 /nfs/dbraw/zinc/53/82/33/584538233.db2.gz YGRHEIZCIVPFFI-UHFFFAOYSA-N 1 2 228.295 1.862 20 0 BDADLO COC[C@H](CO[NH+]=C(N)COC(C)C)C(C)C ZINC000902220183 584540124 /nfs/dbraw/zinc/54/01/24/584540124.db2.gz BIZKUGHIKHHUHF-LLVKDONJSA-N 1 2 246.351 1.828 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OCCOC1CC1 ZINC000902271981 584549954 /nfs/dbraw/zinc/54/99/54/584549954.db2.gz BOTLPXWJQCEBRN-SNVBAGLBSA-N 1 2 244.335 1.725 20 0 BDADLO CC[C@]1(C)CC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902319118 584551626 /nfs/dbraw/zinc/55/16/26/584551626.db2.gz NQZRMZCQKHTUMB-CYBMUJFWSA-N 1 2 247.298 1.339 20 0 BDADLO CCn1c[nH+]c(CNc2cccnc2OC)c1 ZINC000902395583 584584380 /nfs/dbraw/zinc/58/43/80/584584380.db2.gz HLOGJXDDMVGBCQ-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cc(C)ncn2)c1 ZINC000902417495 584591111 /nfs/dbraw/zinc/59/11/11/584591111.db2.gz RNZXXOXQSFLLKI-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CC(C)(C)CC(=O)NOCc1ccc(N)[nH+]c1 ZINC000902421392 584592396 /nfs/dbraw/zinc/59/23/96/584592396.db2.gz TUZQHIAZPFNZCJ-UHFFFAOYSA-N 1 2 237.303 1.648 20 0 BDADLO CNc1ccccc1C[NH2+]Cc1ncn(C)n1 ZINC000902445354 584598790 /nfs/dbraw/zinc/59/87/90/584598790.db2.gz LMLIMAFIFFPBLU-UHFFFAOYSA-N 1 2 231.303 1.147 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccnc(F)c1 ZINC000859081428 588998846 /nfs/dbraw/zinc/99/88/46/588998846.db2.gz ZVOVFDIXEAFVRY-UHFFFAOYSA-N 1 2 240.278 1.606 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccnc(F)c1 ZINC000859081428 588998848 /nfs/dbraw/zinc/99/88/48/588998848.db2.gz ZVOVFDIXEAFVRY-UHFFFAOYSA-N 1 2 240.278 1.606 20 0 BDADLO COC(=O)c1nn(Cc2ccc(C)[nH+]c2)cc1C ZINC000902601845 584641123 /nfs/dbraw/zinc/64/11/23/584641123.db2.gz XVAKIZOOSCMPSP-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO Cn1cc(COc2ccc3c(c2)[nH+]cn3C)nn1 ZINC000902781287 584670239 /nfs/dbraw/zinc/67/02/39/584670239.db2.gz MMBGCIWTZHBNGF-UHFFFAOYSA-N 1 2 243.270 1.281 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](F)C2)C1 ZINC000903004014 584717148 /nfs/dbraw/zinc/71/71/48/584717148.db2.gz XJBHRTMFZSNJFD-RYUDHWBXSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](F)C2)C1 ZINC000903004014 584717149 /nfs/dbraw/zinc/71/71/49/584717149.db2.gz XJBHRTMFZSNJFD-RYUDHWBXSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cn(C)nn1 ZINC000903082727 584725052 /nfs/dbraw/zinc/72/50/52/584725052.db2.gz VTTWADVINCHOEZ-FSDSQADBSA-N 1 2 234.225 1.417 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ncc[nH]1 ZINC000903275106 584742244 /nfs/dbraw/zinc/74/22/44/584742244.db2.gz WQQWLFLCQFJGCD-VIFPVBQESA-N 1 2 237.282 1.427 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000903299023 584743354 /nfs/dbraw/zinc/74/33/54/584743354.db2.gz BZDIKQHGCUIHJY-MVWJERBFSA-N 1 2 240.303 1.438 20 0 BDADLO C[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316721 584749879 /nfs/dbraw/zinc/74/98/79/584749879.db2.gz QNMNUVMJQCSPDP-VXGBXAGGSA-N 1 2 225.380 1.153 20 0 BDADLO C[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316721 584749881 /nfs/dbraw/zinc/74/98/81/584749881.db2.gz QNMNUVMJQCSPDP-VXGBXAGGSA-N 1 2 225.380 1.153 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000903344035 584752617 /nfs/dbraw/zinc/75/26/17/584752617.db2.gz DQBYBYPDOMNMTN-SECBINFHSA-N 1 2 249.318 1.013 20 0 BDADLO CCn1nc(C)c([C@@H](C)NCc2cn(C)c[nH+]2)n1 ZINC000903351184 584755599 /nfs/dbraw/zinc/75/55/99/584755599.db2.gz IOMCXKMMCUEATN-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO C[C@H]([NH2+]C/C=C/Cl)c1cc(CO)on1 ZINC000903446508 584769822 /nfs/dbraw/zinc/76/98/22/584769822.db2.gz YIKAGQWZDOEPAT-AIYRYJHASA-N 1 2 216.668 1.570 20 0 BDADLO C1=CCN(CCOC2CCSCC2)[NH2+]C1 ZINC000903783976 584800127 /nfs/dbraw/zinc/80/01/27/584800127.db2.gz IKTVDKIGXBOXOW-UHFFFAOYSA-N 1 2 228.361 1.275 20 0 BDADLO CCCCN(O)C(=O)NCc1[nH+]ccn1C ZINC000904167513 584845661 /nfs/dbraw/zinc/84/56/61/584845661.db2.gz NFHMAMHXWGCEGQ-UHFFFAOYSA-N 1 2 226.280 1.121 20 0 BDADLO c1[nH]c(-c2ccccc2)nc1C[NH2+][C@H]1CNOC1 ZINC000904426990 584881662 /nfs/dbraw/zinc/88/16/62/584881662.db2.gz MNJGIBQGENHDOO-LBPRGKRZSA-N 1 2 244.298 1.070 20 0 BDADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCC(C)=O)C2 ZINC000730261462 584897155 /nfs/dbraw/zinc/89/71/55/584897155.db2.gz KAQUZDPACXVCCG-UHFFFAOYSA-N 1 2 247.294 1.768 20 0 BDADLO COC(=O)c1ccc2c(c1)C[N@H+](CCC(C)=O)C2 ZINC000730261462 584897157 /nfs/dbraw/zinc/89/71/57/584897157.db2.gz KAQUZDPACXVCCG-UHFFFAOYSA-N 1 2 247.294 1.768 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccc(F)s2)CC[N@@H+]1C ZINC000828775618 584904328 /nfs/dbraw/zinc/90/43/28/584904328.db2.gz VRNNIOUJQVVYMN-MRVPVSSYSA-N 1 2 242.319 1.663 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccc(F)s2)CC[N@H+]1C ZINC000828775618 584904330 /nfs/dbraw/zinc/90/43/30/584904330.db2.gz VRNNIOUJQVVYMN-MRVPVSSYSA-N 1 2 242.319 1.663 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761080443 584909025 /nfs/dbraw/zinc/90/90/25/584909025.db2.gz DJHSUIOZZZZGTP-HRDYMLBCSA-N 1 2 223.276 1.371 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761080443 584909026 /nfs/dbraw/zinc/90/90/26/584909026.db2.gz DJHSUIOZZZZGTP-HRDYMLBCSA-N 1 2 223.276 1.371 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761092431 584909707 /nfs/dbraw/zinc/90/97/07/584909707.db2.gz MOOMXVHLTOHYGF-WCQGTBRESA-N 1 2 232.283 1.390 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761092431 584909708 /nfs/dbraw/zinc/90/97/08/584909708.db2.gz MOOMXVHLTOHYGF-WCQGTBRESA-N 1 2 232.283 1.390 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnc(N(C)C)c2)[C@@H]1C ZINC000754096731 584913042 /nfs/dbraw/zinc/91/30/42/584913042.db2.gz CXRWTBRENWUFHB-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnc(N(C)C)c2)[C@@H]1C ZINC000754096731 584913043 /nfs/dbraw/zinc/91/30/43/584913043.db2.gz CXRWTBRENWUFHB-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO CCOC(=O)/C(=C\c1[nH]cc[nH+]1)c1nccn1C ZINC000731159980 584923037 /nfs/dbraw/zinc/92/30/37/584923037.db2.gz ZQPSULSURHJQOG-HJWRWDBZSA-N 1 2 246.270 1.247 20 0 BDADLO CNC(=O)c1cnc(/C=C/c2[nH]cc[nH+]2)s1 ZINC000731159418 584923084 /nfs/dbraw/zinc/92/30/84/584923084.db2.gz QNIAKAKGAZEDLG-NSCUHMNNSA-N 1 2 234.284 1.396 20 0 BDADLO COC(=O)c1cnc(/C=C\c2[nH]cc[nH+]2)s1 ZINC000731158580 584923117 /nfs/dbraw/zinc/92/31/17/584923117.db2.gz FFVQLABZAHMXNZ-IHWYPQMZSA-N 1 2 235.268 1.823 20 0 BDADLO COCC[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000733308562 584946879 /nfs/dbraw/zinc/94/68/79/584946879.db2.gz MVNCXHMSMZNAFV-UHFFFAOYSA-N 1 2 212.293 1.876 20 0 BDADLO COCC[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000733308562 584946880 /nfs/dbraw/zinc/94/68/80/584946880.db2.gz MVNCXHMSMZNAFV-UHFFFAOYSA-N 1 2 212.293 1.876 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OC[C@H]1CCCOC1 ZINC000768935829 584954882 /nfs/dbraw/zinc/95/48/82/584954882.db2.gz VSVQGHJDDHCNQB-JTQLQIEISA-N 1 2 244.335 1.727 20 0 BDADLO CO[C@@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733967460 584955941 /nfs/dbraw/zinc/95/59/41/584955941.db2.gz MHTATGHIVOUPFW-VIFPVBQESA-N 1 2 233.271 1.698 20 0 BDADLO CCc1cc(NCCOc2cccnc2)nc[nH+]1 ZINC000733992841 584956392 /nfs/dbraw/zinc/95/63/92/584956392.db2.gz CRFAEMCGUWNOFN-UHFFFAOYSA-N 1 2 244.298 1.925 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](F)C1 ZINC000821038028 585015175 /nfs/dbraw/zinc/01/51/75/585015175.db2.gz OTAFNNBQIAJEOU-VIFPVBQESA-N 1 2 233.246 1.747 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821338200 585015965 /nfs/dbraw/zinc/01/59/65/585015965.db2.gz YHGNCHXDUBZIKN-SECBINFHSA-N 1 2 233.271 1.444 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821338200 585015966 /nfs/dbraw/zinc/01/59/66/585015966.db2.gz YHGNCHXDUBZIKN-SECBINFHSA-N 1 2 233.271 1.444 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCC(F)(F)F)c1 ZINC000890110069 585023833 /nfs/dbraw/zinc/02/38/33/585023833.db2.gz JSNYQJSEWNWADC-UHFFFAOYSA-N 1 2 235.209 1.379 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C=C(C2CC2)C2CC2)c1 ZINC000890114677 585024113 /nfs/dbraw/zinc/02/41/13/585024113.db2.gz UQKJKDXMJLMBCP-UHFFFAOYSA-N 1 2 245.326 1.783 20 0 BDADLO C[C@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C(F)(F)F ZINC000823220769 585028094 /nfs/dbraw/zinc/02/80/94/585028094.db2.gz IWWQAEFIZWPRPM-AVALRIAPSA-N 1 2 247.220 1.500 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CC=CCC1 ZINC000788083302 585030571 /nfs/dbraw/zinc/03/05/71/585030571.db2.gz JXACPLKHVDREFV-NWDGAFQWSA-N 1 2 241.306 1.930 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CC=CCC1 ZINC000788083302 585030572 /nfs/dbraw/zinc/03/05/72/585030572.db2.gz JXACPLKHVDREFV-NWDGAFQWSA-N 1 2 241.306 1.930 20 0 BDADLO Clc1cc(-c2nn[nH]n2)cnc1-n1cc[nH+]c1 ZINC000737562687 585036120 /nfs/dbraw/zinc/03/61/20/585036120.db2.gz LLXPTYCUDNDMQS-UHFFFAOYSA-N 1 2 247.649 1.101 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@@H]1CC=CCC1 ZINC000838479979 585059179 /nfs/dbraw/zinc/05/91/79/585059179.db2.gz CJWVTGAQFBEUBZ-GHMZBOCLSA-N 1 2 246.314 1.736 20 0 BDADLO CCOC(=O)CC(C)(C)C[N@H+](C)CC(=O)OC ZINC000838793215 585068395 /nfs/dbraw/zinc/06/83/95/585068395.db2.gz JAJCQWKXJUXINW-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO CCOC(=O)CC(C)(C)C[N@@H+](C)CC(=O)OC ZINC000838793215 585068396 /nfs/dbraw/zinc/06/83/96/585068396.db2.gz JAJCQWKXJUXINW-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)CCCCO1 ZINC000838808638 585070665 /nfs/dbraw/zinc/07/06/65/585070665.db2.gz DZIXYMBRGRJTMI-LBPRGKRZSA-N 1 2 238.287 1.423 20 0 BDADLO CCn1ncc(C[N@H+](C)CCCOC(C)C)n1 ZINC000838842988 585074075 /nfs/dbraw/zinc/07/40/75/585074075.db2.gz XZHVZAMCSYMLIZ-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCn1ncc(C[N@@H+](C)CCCOC(C)C)n1 ZINC000838842988 585074076 /nfs/dbraw/zinc/07/40/76/585074076.db2.gz XZHVZAMCSYMLIZ-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCn1ncc(CNc2c[nH+]ccc2OC)n1 ZINC000838978396 585083971 /nfs/dbraw/zinc/08/39/71/585083971.db2.gz CQKPERFMWSDNIZ-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO COc1ccsc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839132477 585094234 /nfs/dbraw/zinc/09/42/34/585094234.db2.gz GAODGQXJUUGEHC-UHFFFAOYSA-N 1 2 241.356 1.959 20 0 BDADLO Cc1cc(C[NH+]2CC(CCO)C2)cnc1Cl ZINC000839139995 585094363 /nfs/dbraw/zinc/09/43/63/585094363.db2.gz HSVCXJXNNKWUFM-UHFFFAOYSA-N 1 2 240.734 1.858 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201491 585099692 /nfs/dbraw/zinc/09/96/92/585099692.db2.gz MAKMJFYJMHASKZ-VWYCJHECSA-N 1 2 243.372 1.908 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201491 585099693 /nfs/dbraw/zinc/09/96/93/585099693.db2.gz MAKMJFYJMHASKZ-VWYCJHECSA-N 1 2 243.372 1.908 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000741031262 585109257 /nfs/dbraw/zinc/10/92/57/585109257.db2.gz OAZPEGMHSXDXAH-ZYHUDNBSSA-N 1 2 241.331 1.772 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(C)=O ZINC000741148037 585110200 /nfs/dbraw/zinc/11/02/00/585110200.db2.gz GPZVUGUVHFNBEZ-WDEREUQCSA-N 1 2 227.304 1.382 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(C)=O ZINC000741148037 585110201 /nfs/dbraw/zinc/11/02/01/585110201.db2.gz GPZVUGUVHFNBEZ-WDEREUQCSA-N 1 2 227.304 1.382 20 0 BDADLO CCC[N@H+](C)CC(=O)Oc1ccccc1OC ZINC000741211733 585111152 /nfs/dbraw/zinc/11/11/52/585111152.db2.gz JWFINOWBTNJTLH-UHFFFAOYSA-N 1 2 237.299 1.942 20 0 BDADLO CCC[N@@H+](C)CC(=O)Oc1ccccc1OC ZINC000741211733 585111153 /nfs/dbraw/zinc/11/11/53/585111153.db2.gz JWFINOWBTNJTLH-UHFFFAOYSA-N 1 2 237.299 1.942 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@H]1CCOC1 ZINC000741784202 585118784 /nfs/dbraw/zinc/11/87/84/585118784.db2.gz HVDDFZYPVIWSRA-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@H]1CCOC1 ZINC000741784202 585118785 /nfs/dbraw/zinc/11/87/85/585118785.db2.gz HVDDFZYPVIWSRA-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1noc(C)c1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000742244725 585124112 /nfs/dbraw/zinc/12/41/12/585124112.db2.gz ZSYQVQNIRYDXKL-UHFFFAOYSA-N 1 2 248.286 1.147 20 0 BDADLO FCCN1CC[NH+](Cc2ccccn2)CC1 ZINC000746499019 585168820 /nfs/dbraw/zinc/16/88/20/585168820.db2.gz CZVFIQLFJWGDEA-UHFFFAOYSA-N 1 2 223.295 1.169 20 0 BDADLO CCCC[N@H+](CCF)[C@H]1CCS(=O)(=O)C1 ZINC000746503249 585169151 /nfs/dbraw/zinc/16/91/51/585169151.db2.gz XFBLXZPCFTXMNE-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO CCCC[N@@H+](CCF)[C@H]1CCS(=O)(=O)C1 ZINC000746503249 585169152 /nfs/dbraw/zinc/16/91/52/585169152.db2.gz XFBLXZPCFTXMNE-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO C[C@@H]1C[NH+](Cn2ccsc2=O)C[C@@H](C)S1 ZINC000746614553 585170699 /nfs/dbraw/zinc/17/06/99/585170699.db2.gz MAYRJIUAEWRGAE-RKDXNWHRSA-N 1 2 244.385 1.693 20 0 BDADLO C[N@H+](C[C@H]1CCCCO1)Cn1ccsc1=O ZINC000746613090 585170800 /nfs/dbraw/zinc/17/08/00/585170800.db2.gz WKPMEINRSXSOLZ-SNVBAGLBSA-N 1 2 242.344 1.368 20 0 BDADLO C[N@@H+](C[C@H]1CCCCO1)Cn1ccsc1=O ZINC000746613090 585170801 /nfs/dbraw/zinc/17/08/01/585170801.db2.gz WKPMEINRSXSOLZ-SNVBAGLBSA-N 1 2 242.344 1.368 20 0 BDADLO C[N@H+](CCN1CCOC1=O)Cc1nccs1 ZINC000746668901 585171737 /nfs/dbraw/zinc/17/17/37/585171737.db2.gz BRTGMVKOTWTFJD-UHFFFAOYSA-N 1 2 241.316 1.027 20 0 BDADLO C[N@@H+](CCN1CCOC1=O)Cc1nccs1 ZINC000746668901 585171738 /nfs/dbraw/zinc/17/17/38/585171738.db2.gz BRTGMVKOTWTFJD-UHFFFAOYSA-N 1 2 241.316 1.027 20 0 BDADLO C/C=C/C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747675484 585182194 /nfs/dbraw/zinc/18/21/94/585182194.db2.gz RLLZIGHCPSBLPD-AATRIKPKSA-N 1 2 234.299 1.899 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1CCCO1 ZINC000747782253 585184118 /nfs/dbraw/zinc/18/41/18/585184118.db2.gz GRODQLBCCWMTRM-JTQLQIEISA-N 1 2 224.260 1.032 20 0 BDADLO C[C@H](CC(=O)OCc1c[nH+]cn1C)n1cccc1 ZINC000747782772 585184228 /nfs/dbraw/zinc/18/42/28/585184228.db2.gz KILYCOGBLMSKJD-LLVKDONJSA-N 1 2 247.298 1.916 20 0 BDADLO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cn[nH]c1C ZINC000748241619 585189806 /nfs/dbraw/zinc/18/98/06/585189806.db2.gz CHWDVCMEVAYJTB-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccccc2)C1 ZINC000748455846 585192904 /nfs/dbraw/zinc/19/29/04/585192904.db2.gz HCHHJLCCWSPNRH-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccccc2)C1 ZINC000748455846 585192905 /nfs/dbraw/zinc/19/29/05/585192905.db2.gz HCHHJLCCWSPNRH-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCCOC[C@@H]1C ZINC000749515024 585203467 /nfs/dbraw/zinc/20/34/67/585203467.db2.gz JMEFZGJAFXUBAI-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCCOC[C@@H]1C ZINC000749515024 585203468 /nfs/dbraw/zinc/20/34/68/585203468.db2.gz JMEFZGJAFXUBAI-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCc1ccccc1F ZINC000750044132 585209511 /nfs/dbraw/zinc/20/95/11/585209511.db2.gz DPJQPLGXJJENHR-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCc1ccccc1F ZINC000750044132 585209512 /nfs/dbraw/zinc/20/95/12/585209512.db2.gz DPJQPLGXJJENHR-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750070306 585209966 /nfs/dbraw/zinc/20/99/66/585209966.db2.gz YCSOHOMGBGHTHW-SECBINFHSA-N 1 2 223.276 1.340 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750070306 585209967 /nfs/dbraw/zinc/20/99/67/585209967.db2.gz YCSOHOMGBGHTHW-SECBINFHSA-N 1 2 223.276 1.340 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000750746300 585219051 /nfs/dbraw/zinc/21/90/51/585219051.db2.gz IMWWWNKHCHPPHN-DKRCXCIFSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000750746300 585219052 /nfs/dbraw/zinc/21/90/52/585219052.db2.gz IMWWWNKHCHPPHN-DKRCXCIFSA-N 1 2 240.347 1.180 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2occc2[nH]1 ZINC000750887450 585220887 /nfs/dbraw/zinc/22/08/87/585220887.db2.gz SJGNMDURSIXXAY-UHFFFAOYSA-N 1 2 230.227 1.414 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2occc2[nH]1 ZINC000750887450 585220888 /nfs/dbraw/zinc/22/08/88/585220888.db2.gz SJGNMDURSIXXAY-UHFFFAOYSA-N 1 2 230.227 1.414 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000751189986 585225275 /nfs/dbraw/zinc/22/52/75/585225275.db2.gz ANPIHVUMIBNDRD-LLVKDONJSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000751380001 585228592 /nfs/dbraw/zinc/22/85/92/585228592.db2.gz BAAAOAANYROXTN-UHFFFAOYSA-N 1 2 219.288 1.623 20 0 BDADLO CS/C=C/C(=O)NCc1cn2ccccc2[nH+]1 ZINC000751465114 585231197 /nfs/dbraw/zinc/23/11/97/585231197.db2.gz FTUVTEHJRWIEIZ-FNORWQNLSA-N 1 2 247.323 1.827 20 0 BDADLO CCn1cnnc1SCc1c[nH+]cn1C ZINC000753063058 585252767 /nfs/dbraw/zinc/25/27/67/585252767.db2.gz ZSGVMJVNIBGOBR-UHFFFAOYSA-N 1 2 223.305 1.324 20 0 BDADLO Cn1c[nH+]cc1CON=C(N)c1ccsc1 ZINC000753118793 585253846 /nfs/dbraw/zinc/25/38/46/585253846.db2.gz UYMCOLSUFXYAGN-UHFFFAOYSA-N 1 2 236.300 1.528 20 0 BDADLO C/C=C\C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753183505 585255075 /nfs/dbraw/zinc/25/50/75/585255075.db2.gz PYLPNKBEVGWYIB-SRMRHOMVSA-N 1 2 231.299 1.353 20 0 BDADLO CNC(=O)COc1ccc([NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000754124991 585279082 /nfs/dbraw/zinc/27/90/82/585279082.db2.gz DEOXQXJCFXXFGJ-WDEREUQCSA-N 1 2 248.326 1.879 20 0 BDADLO CC(C)c1nc(N(CCCO)C2CC2)cc[nH+]1 ZINC000754488691 585285345 /nfs/dbraw/zinc/28/53/45/585285345.db2.gz KPENZOLSDAXMEN-UHFFFAOYSA-N 1 2 235.331 1.951 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000754564587 585286102 /nfs/dbraw/zinc/28/61/02/585286102.db2.gz GSPPKXYUCMNWCJ-NEPJUHHUSA-N 1 2 243.347 1.590 20 0 BDADLO Clc1cc2c(nc[nH+]c2N2CCOCC2)[nH]1 ZINC000754674244 585289221 /nfs/dbraw/zinc/28/92/21/585289221.db2.gz YGJUOLZSNUQVQW-UHFFFAOYSA-N 1 2 238.678 1.400 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000754686179 585289327 /nfs/dbraw/zinc/28/93/27/585289327.db2.gz YZHNNZDSSJENSX-SECBINFHSA-N 1 2 210.277 1.755 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\C1CC1 ZINC000754683583 585289427 /nfs/dbraw/zinc/28/94/27/585289427.db2.gz IYYQAAOGOZJHBU-PLNGDYQASA-N 1 2 206.245 1.430 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cscn1 ZINC000754683658 585289454 /nfs/dbraw/zinc/28/94/54/585289454.db2.gz PMQGOTJVVWUXBG-UHFFFAOYSA-N 1 2 223.257 1.234 20 0 BDADLO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1nc(C)no1 ZINC000754687422 585289484 /nfs/dbraw/zinc/28/94/84/585289484.db2.gz ARSZQBRFKDRHFT-GRKOMRHMSA-N 1 2 239.275 1.148 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC[C@H]1CCOC1 ZINC000754685368 585289548 /nfs/dbraw/zinc/28/95/48/585289548.db2.gz UHHZYGMNOBAQKG-JTQLQIEISA-N 1 2 238.287 1.280 20 0 BDADLO CN(C)c1cc(Cn2nnc(C3CC3)n2)cc[nH+]1 ZINC000754882311 585292051 /nfs/dbraw/zinc/29/20/51/585292051.db2.gz JPSDBRHHMJOQQU-UHFFFAOYSA-N 1 2 244.302 1.060 20 0 BDADLO O=C(C=C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000755385669 585298738 /nfs/dbraw/zinc/29/87/38/585298738.db2.gz NVMWMAIHSOIMRM-UHFFFAOYSA-N 1 2 217.272 1.377 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1NC(=O)c2ccc(F)cc2N1 ZINC000755414558 585299283 /nfs/dbraw/zinc/29/92/83/585299283.db2.gz BACPGFXZLBMDFW-NSHDSACASA-N 1 2 246.245 1.413 20 0 BDADLO C[C@H](C(=O)NC1=[NH+]CCS1)C1CCOCC1 ZINC000755424735 585299371 /nfs/dbraw/zinc/29/93/71/585299371.db2.gz HIASYPPKROEIMX-QMMMGPOBSA-N 1 2 242.344 1.268 20 0 BDADLO CNC(=O)C1(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000755620814 585302476 /nfs/dbraw/zinc/30/24/76/585302476.db2.gz KSAKWMNQSCJVLO-UHFFFAOYSA-N 1 2 247.298 1.163 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1nc(C)c(C)s1 ZINC000756036268 585313417 /nfs/dbraw/zinc/31/34/17/585313417.db2.gz VYUSKDPYSWRGHF-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1nc(C)c(C)s1 ZINC000756036268 585313418 /nfs/dbraw/zinc/31/34/18/585313418.db2.gz VYUSKDPYSWRGHF-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CCS(=O)(=O)CC[N@H+]1CC=C(C)CC1 ZINC000756637378 585322020 /nfs/dbraw/zinc/32/20/20/585322020.db2.gz TWWOJNJTHKSPAV-UHFFFAOYSA-N 1 2 217.334 1.073 20 0 BDADLO CCS(=O)(=O)CC[N@@H+]1CC=C(C)CC1 ZINC000756637378 585322021 /nfs/dbraw/zinc/32/20/21/585322021.db2.gz TWWOJNJTHKSPAV-UHFFFAOYSA-N 1 2 217.334 1.073 20 0 BDADLO FC[C@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000839621607 585332456 /nfs/dbraw/zinc/33/24/56/585332456.db2.gz GYOBGFWZERTGGK-SFYZADRCSA-N 1 2 242.121 1.851 20 0 BDADLO FC[C@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000839621607 585332457 /nfs/dbraw/zinc/33/24/57/585332457.db2.gz GYOBGFWZERTGGK-SFYZADRCSA-N 1 2 242.121 1.851 20 0 BDADLO COC1([C@H](C)[NH2+]CC(=O)OCC(C)C)CCC1 ZINC000839660015 585334202 /nfs/dbraw/zinc/33/42/02/585334202.db2.gz JWAKOAUXDLRDLI-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO COCCCO[NH+]=C(N)c1cccc(F)c1 ZINC000758763996 585359577 /nfs/dbraw/zinc/35/95/77/585359577.db2.gz VLDOOFBXFUVYML-UHFFFAOYSA-N 1 2 226.251 1.709 20 0 BDADLO CC(C)(C)C1=CC[N@@H+]([C@H]2CCOC2=O)CC1 ZINC000759261804 585366511 /nfs/dbraw/zinc/36/65/11/585366511.db2.gz BOGFLPPBQWKUMU-NSHDSACASA-N 1 2 223.316 1.980 20 0 BDADLO CC(C)(C)C1=CC[N@H+]([C@H]2CCOC2=O)CC1 ZINC000759261804 585366512 /nfs/dbraw/zinc/36/65/12/585366512.db2.gz BOGFLPPBQWKUMU-NSHDSACASA-N 1 2 223.316 1.980 20 0 BDADLO CCCCCC[C@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000759376881 585371795 /nfs/dbraw/zinc/37/17/95/585371795.db2.gz AKULROZHAOWHAM-NSHDSACASA-N 1 2 240.351 1.568 20 0 BDADLO CCCCCC[C@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000759376881 585371796 /nfs/dbraw/zinc/37/17/96/585371796.db2.gz AKULROZHAOWHAM-NSHDSACASA-N 1 2 240.351 1.568 20 0 BDADLO CCC(CC)CC(=O)OCC[NH+]1CCOCC1 ZINC000759412593 585372329 /nfs/dbraw/zinc/37/23/29/585372329.db2.gz RXCKMZQKXDFDPO-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO C[C@@H]1CC[N@H+](CCC(=O)C2CC2)CC[S@@]1=O ZINC000759875574 585382132 /nfs/dbraw/zinc/38/21/32/585382132.db2.gz OPILABNRWXWRFC-HWPZZCPQSA-N 1 2 243.372 1.199 20 0 BDADLO C[C@@H]1CC[N@@H+](CCC(=O)C2CC2)CC[S@@]1=O ZINC000759875574 585382133 /nfs/dbraw/zinc/38/21/33/585382133.db2.gz OPILABNRWXWRFC-HWPZZCPQSA-N 1 2 243.372 1.199 20 0 BDADLO C[N@H+](Cc1cccnc1Cl)C1CC(O)C1 ZINC000759874221 585382248 /nfs/dbraw/zinc/38/22/48/585382248.db2.gz YLBNHTYJWFASSZ-UHFFFAOYSA-N 1 2 226.707 1.690 20 0 BDADLO C[N@@H+](Cc1cccnc1Cl)C1CC(O)C1 ZINC000759874221 585382249 /nfs/dbraw/zinc/38/22/49/585382249.db2.gz YLBNHTYJWFASSZ-UHFFFAOYSA-N 1 2 226.707 1.690 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H]3C[C@H]32)no1 ZINC000761083572 585407043 /nfs/dbraw/zinc/40/70/43/585407043.db2.gz KNVWBRXRUYWWQI-DTWKUNHWSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H]3C[C@H]32)no1 ZINC000761083572 585407044 /nfs/dbraw/zinc/40/70/44/585407044.db2.gz KNVWBRXRUYWWQI-DTWKUNHWSA-N 1 2 207.277 1.787 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)C1(COC)CC1 ZINC000761098588 585409245 /nfs/dbraw/zinc/40/92/45/585409245.db2.gz AILKMYVPIISCQR-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)C1(COC)CC1 ZINC000761098588 585409246 /nfs/dbraw/zinc/40/92/46/585409246.db2.gz AILKMYVPIISCQR-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761108362 585410034 /nfs/dbraw/zinc/41/00/34/585410034.db2.gz LOSUJFDDMRBNKW-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000761108362 585410035 /nfs/dbraw/zinc/41/00/35/585410035.db2.gz LOSUJFDDMRBNKW-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO CC(C)NC(=S)NCc1ccn2cc[nH+]c2c1 ZINC000761838904 585419802 /nfs/dbraw/zinc/41/98/02/585419802.db2.gz OAQLEYRQYUVQPR-UHFFFAOYSA-N 1 2 248.355 1.707 20 0 BDADLO COC(=O)CSCc1cc[nH+]c(N(C)C)c1 ZINC000762469534 585432597 /nfs/dbraw/zinc/43/25/97/585432597.db2.gz NWBZBYSBRPAIOQ-UHFFFAOYSA-N 1 2 240.328 1.554 20 0 BDADLO O=C(/C=C/c1ccco1)OCCn1cc[nH+]c1 ZINC000763114431 585443426 /nfs/dbraw/zinc/44/34/26/585443426.db2.gz HQUSHRJYTXDMPZ-ONEGZZNKSA-N 1 2 232.239 1.733 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000763272780 585445589 /nfs/dbraw/zinc/44/55/89/585445589.db2.gz UGEGBQUNHCPQNC-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO Cc1c(C(=O)OCCCn2cc[nH+]c2)cnn1C ZINC000763295200 585446263 /nfs/dbraw/zinc/44/62/63/585446263.db2.gz YQVZEFHEEFDAOI-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO C(C1CC1)[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000763405409 585447918 /nfs/dbraw/zinc/44/79/18/585447918.db2.gz ANEARLXXGOSKHD-NSHDSACASA-N 1 2 249.314 1.730 20 0 BDADLO C(C1CC1)[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000763405409 585447919 /nfs/dbraw/zinc/44/79/19/585447919.db2.gz ANEARLXXGOSKHD-NSHDSACASA-N 1 2 249.314 1.730 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763685869 585452426 /nfs/dbraw/zinc/45/24/26/585452426.db2.gz HTJOWFDGYJRCOC-SNVBAGLBSA-N 1 2 236.271 1.202 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763685869 585452427 /nfs/dbraw/zinc/45/24/27/585452427.db2.gz HTJOWFDGYJRCOC-SNVBAGLBSA-N 1 2 236.271 1.202 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000763911336 585456732 /nfs/dbraw/zinc/45/67/32/585456732.db2.gz KWJJRLAZDUWXDM-SGRBOOSSSA-N 1 2 237.752 1.248 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000763911336 585456733 /nfs/dbraw/zinc/45/67/33/585456733.db2.gz KWJJRLAZDUWXDM-SGRBOOSSSA-N 1 2 237.752 1.248 20 0 BDADLO CCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767424294 585519851 /nfs/dbraw/zinc/51/98/51/585519851.db2.gz MEUYRNBTMCZCSP-UHFFFAOYSA-N 1 2 208.261 1.601 20 0 BDADLO Cc1cc(NC(=O)NCc2ccon2)c(C)c[nH+]1 ZINC000767938167 585528413 /nfs/dbraw/zinc/52/84/13/585528413.db2.gz MFFQZKQWVGVHJE-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO CCNC(=O)N1CC[NH+](Cc2ccoc2)CC1 ZINC000768213206 585534121 /nfs/dbraw/zinc/53/41/21/585534121.db2.gz OIYVUTOJSWJKHW-UHFFFAOYSA-N 1 2 237.303 1.127 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cscc1Cl ZINC000768302392 585535530 /nfs/dbraw/zinc/53/55/30/585535530.db2.gz LOELOPAEBTXKSW-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cscc1Cl ZINC000768302392 585535531 /nfs/dbraw/zinc/53/55/31/585535531.db2.gz LOELOPAEBTXKSW-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000768770374 585543233 /nfs/dbraw/zinc/54/32/33/585543233.db2.gz IBPCCEODIPARPP-NSHDSACASA-N 1 2 233.311 1.938 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000768770374 585543234 /nfs/dbraw/zinc/54/32/34/585543234.db2.gz IBPCCEODIPARPP-NSHDSACASA-N 1 2 233.311 1.938 20 0 BDADLO Cn1c[nH+]cc1CON=C(N)COC(C)(C)C ZINC000768944905 585546611 /nfs/dbraw/zinc/54/66/11/585546611.db2.gz ZNXOLVDZKAPXRM-UHFFFAOYSA-N 1 2 240.307 1.234 20 0 BDADLO CCc1ncc(C[N@@H+]2CCCNC(=O)C2)s1 ZINC000769109713 585549293 /nfs/dbraw/zinc/54/92/93/585549293.db2.gz UBBZQDJMCWYGQK-UHFFFAOYSA-N 1 2 239.344 1.027 20 0 BDADLO CCc1ncc(C[N@H+]2CCCNC(=O)C2)s1 ZINC000769109713 585549294 /nfs/dbraw/zinc/54/92/94/585549294.db2.gz UBBZQDJMCWYGQK-UHFFFAOYSA-N 1 2 239.344 1.027 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C(=O)C(C)(C)C ZINC000769145801 585549991 /nfs/dbraw/zinc/54/99/91/585549991.db2.gz PNBMSGKYIPYFPM-NXEZZACHSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C(=O)C(C)(C)C ZINC000769145801 585549992 /nfs/dbraw/zinc/54/99/92/585549992.db2.gz PNBMSGKYIPYFPM-NXEZZACHSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C(F)(F)F ZINC000769145233 585550008 /nfs/dbraw/zinc/55/00/08/585550008.db2.gz MRSKCIFLQATILP-RNFRBKRXSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C(F)(F)F ZINC000769145233 585550009 /nfs/dbraw/zinc/55/00/09/585550009.db2.gz MRSKCIFLQATILP-RNFRBKRXSA-N 1 2 224.226 1.100 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1scnc1C ZINC000809997389 585550861 /nfs/dbraw/zinc/55/08/61/585550861.db2.gz XFEJNHZKRAGBTD-SSDOTTSWSA-N 1 2 229.305 1.485 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)ns1 ZINC000769290572 585552705 /nfs/dbraw/zinc/55/27/05/585552705.db2.gz DJHHGLOYZNUNDU-UHFFFAOYSA-N 1 2 237.284 1.505 20 0 BDADLO CC[C@H](NC(=O)C1=COCCC1)c1[nH]cc[nH+]1 ZINC000769669385 585561551 /nfs/dbraw/zinc/56/15/51/585561551.db2.gz FVFVXFUWGQMBPS-JTQLQIEISA-N 1 2 235.287 1.671 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000769912752 585566273 /nfs/dbraw/zinc/56/62/73/585566273.db2.gz HDYFHCBAJJUHER-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000769912752 585566274 /nfs/dbraw/zinc/56/62/74/585566274.db2.gz HDYFHCBAJJUHER-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)CCN1C ZINC000769931241 585566595 /nfs/dbraw/zinc/56/65/95/585566595.db2.gz DBDNSWUTYVZUFW-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)CCN1C ZINC000769931241 585566596 /nfs/dbraw/zinc/56/65/96/585566596.db2.gz DBDNSWUTYVZUFW-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC000770398944 585573840 /nfs/dbraw/zinc/57/38/40/585573840.db2.gz HJSPZCJJMXGIGD-JTQLQIEISA-N 1 2 245.282 1.195 20 0 BDADLO CCOCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770924539 585584217 /nfs/dbraw/zinc/58/42/17/585584217.db2.gz GUVRNFHWUVOGDX-UHFFFAOYSA-N 1 2 248.282 1.804 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CCOC1 ZINC000805427593 585592340 /nfs/dbraw/zinc/59/23/40/585592340.db2.gz HIBAQCCXSVNQAK-SECBINFHSA-N 1 2 237.255 1.170 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OC[C@@H]1CCOC1 ZINC000771663913 585598719 /nfs/dbraw/zinc/59/87/19/585598719.db2.gz DLTXKAXZOFKPPE-LLVKDONJSA-N 1 2 235.287 1.159 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](CCO)C2CC2)no1 ZINC000771804674 585600768 /nfs/dbraw/zinc/60/07/68/585600768.db2.gz WLQFIORSOVOUAU-JTQLQIEISA-N 1 2 239.319 1.273 20 0 BDADLO O=C(COC1CCCC1)OCCn1cc[nH+]c1 ZINC000771919618 585604010 /nfs/dbraw/zinc/60/40/10/585604010.db2.gz SJZIBELTOOZMDW-UHFFFAOYSA-N 1 2 238.287 1.386 20 0 BDADLO Cc1cc(NC[C@@H](O)c2cccnc2)nc[nH+]1 ZINC000771922190 585604755 /nfs/dbraw/zinc/60/47/55/585604755.db2.gz NFTFMFNVCWDZGU-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)n1cccc1 ZINC000771949919 585605615 /nfs/dbraw/zinc/60/56/15/585605615.db2.gz MSOLIRPZBVTHHZ-LBPRGKRZSA-N 1 2 247.298 1.879 20 0 BDADLO Nc1c(F)cccc1C(=O)OCCn1cc[nH+]c1 ZINC000771993479 585606366 /nfs/dbraw/zinc/60/63/66/585606366.db2.gz MQPLIIUPJGNPGN-UHFFFAOYSA-N 1 2 249.245 1.461 20 0 BDADLO Cc1ccc(COC(=O)C2(O)CCC2)c(C)[nH+]1 ZINC000772039682 585607301 /nfs/dbraw/zinc/60/73/01/585607301.db2.gz PXKRJTTVARUVLF-UHFFFAOYSA-N 1 2 235.283 1.657 20 0 BDADLO O=C(C=C1CCSCC1)NCc1[nH]cc[nH+]1 ZINC000772676914 585620592 /nfs/dbraw/zinc/62/05/92/585620592.db2.gz FEBPLZQWARORIA-UHFFFAOYSA-N 1 2 237.328 1.479 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 ZINC000772718327 585622186 /nfs/dbraw/zinc/62/21/86/585622186.db2.gz SDTUWXVTLHVEKQ-NSHDSACASA-N 1 2 243.328 1.289 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 ZINC000772718327 585622187 /nfs/dbraw/zinc/62/21/87/585622187.db2.gz SDTUWXVTLHVEKQ-NSHDSACASA-N 1 2 243.328 1.289 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000772747371 585622691 /nfs/dbraw/zinc/62/26/91/585622691.db2.gz MYMZMECQNLTEOL-LBPRGKRZSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000772747371 585622692 /nfs/dbraw/zinc/62/26/92/585622692.db2.gz MYMZMECQNLTEOL-LBPRGKRZSA-N 1 2 249.289 1.714 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[Si](C)(C)C)C1 ZINC000805470724 585623121 /nfs/dbraw/zinc/62/31/21/585623121.db2.gz TUTLOOKFRPEOGN-SNVBAGLBSA-N 1 2 245.395 1.128 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OC[Si](C)(C)C)C1 ZINC000805470724 585623122 /nfs/dbraw/zinc/62/31/22/585623122.db2.gz TUTLOOKFRPEOGN-SNVBAGLBSA-N 1 2 245.395 1.128 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCCCF)C1 ZINC000805473257 585625656 /nfs/dbraw/zinc/62/56/56/585625656.db2.gz DYQBENALATWBGR-NSHDSACASA-N 1 2 247.310 1.390 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCCCCF)C1 ZINC000805473257 585625657 /nfs/dbraw/zinc/62/56/57/585625657.db2.gz DYQBENALATWBGR-NSHDSACASA-N 1 2 247.310 1.390 20 0 BDADLO CC[C@H](CSC)[N@H+](C)Cn1ccsc1=O ZINC000773254942 585634421 /nfs/dbraw/zinc/63/44/21/585634421.db2.gz JTECUOQKGKIJMH-SECBINFHSA-N 1 2 246.401 1.941 20 0 BDADLO CC[C@H](CSC)[N@@H+](C)Cn1ccsc1=O ZINC000773254942 585634422 /nfs/dbraw/zinc/63/44/22/585634422.db2.gz JTECUOQKGKIJMH-SECBINFHSA-N 1 2 246.401 1.941 20 0 BDADLO O=c1oc2ccc(F)cc2n1C[NH+]1CCCC1 ZINC000773281050 585634699 /nfs/dbraw/zinc/63/46/99/585634699.db2.gz FZXXFADTYVVDBQ-UHFFFAOYSA-N 1 2 236.246 1.787 20 0 BDADLO O=c1oc2ccc(F)cc2n1C[N@H+]1CC=CCC1 ZINC000773319562 585635146 /nfs/dbraw/zinc/63/51/46/585635146.db2.gz GQLSVBGXZYAMKP-UHFFFAOYSA-N 1 2 248.257 1.953 20 0 BDADLO O=c1oc2ccc(F)cc2n1C[N@@H+]1CC=CCC1 ZINC000773319562 585635147 /nfs/dbraw/zinc/63/51/47/585635147.db2.gz GQLSVBGXZYAMKP-UHFFFAOYSA-N 1 2 248.257 1.953 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1(F)CCCC1 ZINC000773515913 585638913 /nfs/dbraw/zinc/63/89/13/585638913.db2.gz GPSYUAQODYZDLV-UHFFFAOYSA-N 1 2 224.235 1.430 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C=C1CCCC1 ZINC000773830936 585644496 /nfs/dbraw/zinc/64/44/96/585644496.db2.gz RNSYXUFCIAXMLL-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1nccs1 ZINC000774124906 585651018 /nfs/dbraw/zinc/65/10/18/585651018.db2.gz YZWHWCUGAAGIHN-UHFFFAOYSA-N 1 2 223.257 1.234 20 0 BDADLO C[C@@H]1CC[C@@H](COC(=O)[C@H]2CCCC[N@@H+]2C)O1 ZINC000774257315 585655091 /nfs/dbraw/zinc/65/50/91/585655091.db2.gz PFNBNANXJVZETH-GRYCIOLGSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]1CC[C@@H](COC(=O)[C@H]2CCCC[N@H+]2C)O1 ZINC000774257315 585655092 /nfs/dbraw/zinc/65/50/92/585655092.db2.gz PFNBNANXJVZETH-GRYCIOLGSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H]1CCC=CO1 ZINC000774834296 585666749 /nfs/dbraw/zinc/66/67/49/585666749.db2.gz FCZNTEYFIRLYMW-LLVKDONJSA-N 1 2 248.330 1.349 20 0 BDADLO C[N@H+](Cc1nnc2n1CCC2)C[C@H]1CCC=CO1 ZINC000774834296 585666750 /nfs/dbraw/zinc/66/67/50/585666750.db2.gz FCZNTEYFIRLYMW-LLVKDONJSA-N 1 2 248.330 1.349 20 0 BDADLO C[C@@H](C(=O)OC/C=C/Cl)[NH+]1CCSCC1 ZINC000774985877 585670132 /nfs/dbraw/zinc/67/01/32/585670132.db2.gz DVSMQJRRMAEKKN-HPOULIHZSA-N 1 2 249.763 1.719 20 0 BDADLO C[NH+](C)CCNC(=O)c1cccc(Cl)c1O ZINC000775638337 585682161 /nfs/dbraw/zinc/68/21/61/585682161.db2.gz BNTSHBKBQVWVNR-UHFFFAOYSA-N 1 2 242.706 1.337 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1coc(C)n1 ZINC000805556737 585688823 /nfs/dbraw/zinc/68/88/23/585688823.db2.gz FIMLORQPARGPOZ-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO CCCCC(=O)OC1C[NH+](CCOCC)C1 ZINC000776305407 585695186 /nfs/dbraw/zinc/69/51/86/585695186.db2.gz ALSMYROGFXYSGF-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000776421538 585698352 /nfs/dbraw/zinc/69/83/52/585698352.db2.gz SUTRWVCAVBLTDG-NWDGAFQWSA-N 1 2 241.331 1.298 20 0 BDADLO C[C@H]1C[C@H](C(=O)OCc2c[nH+]cn2C)CCO1 ZINC000776525350 585700079 /nfs/dbraw/zinc/70/00/79/585700079.db2.gz SLJYOEDQXAEPLR-VHSXEESVSA-N 1 2 238.287 1.278 20 0 BDADLO Cc1csc(C2([NH2+]Cn3cnnc3)CCC2)n1 ZINC000776763962 585705239 /nfs/dbraw/zinc/70/52/39/585705239.db2.gz VBSVJDAONYNMRH-UHFFFAOYSA-N 1 2 249.343 1.670 20 0 BDADLO O=C(C1CC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000776791481 585705612 /nfs/dbraw/zinc/70/56/12/585705612.db2.gz KDPYGESPZMPPAY-UHFFFAOYSA-N 1 2 245.326 1.895 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000778230159 585728372 /nfs/dbraw/zinc/72/83/72/585728372.db2.gz BHBVDUXDRUZVSV-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000778230159 585728373 /nfs/dbraw/zinc/72/83/73/585728373.db2.gz BHBVDUXDRUZVSV-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000778230163 585728480 /nfs/dbraw/zinc/72/84/80/585728480.db2.gz BHBVDUXDRUZVSV-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000778230163 585728481 /nfs/dbraw/zinc/72/84/81/585728481.db2.gz BHBVDUXDRUZVSV-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO C[C@H]1CC[N@H+](CC2OCCO2)C[C@@H]1F ZINC000778232712 585728810 /nfs/dbraw/zinc/72/88/10/585728810.db2.gz GRUKGBTZRKZAQD-IUCAKERBSA-N 1 2 203.257 1.039 20 0 BDADLO C[C@H]1CC[N@@H+](CC2OCCO2)C[C@@H]1F ZINC000778232712 585728811 /nfs/dbraw/zinc/72/88/11/585728811.db2.gz GRUKGBTZRKZAQD-IUCAKERBSA-N 1 2 203.257 1.039 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C/C=C/Cl ZINC000778418050 585734672 /nfs/dbraw/zinc/73/46/72/585734672.db2.gz QWILVXJRRXWWKI-PORFMDCZSA-N 1 2 230.739 1.682 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C/C=C/Cl ZINC000778418050 585734673 /nfs/dbraw/zinc/73/46/73/585734673.db2.gz QWILVXJRRXWWKI-PORFMDCZSA-N 1 2 230.739 1.682 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C/C=C\Cl ZINC000778418053 585734677 /nfs/dbraw/zinc/73/46/77/585734677.db2.gz QWILVXJRRXWWKI-WWQCOOJYSA-N 1 2 230.739 1.682 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C/C=C\Cl ZINC000778418053 585734678 /nfs/dbraw/zinc/73/46/78/585734678.db2.gz QWILVXJRRXWWKI-WWQCOOJYSA-N 1 2 230.739 1.682 20 0 BDADLO C[C@@H](C(=O)OC[C@@H]1C[C@H]1C)[NH+]1CCSCC1 ZINC000778617886 585738235 /nfs/dbraw/zinc/73/82/35/585738235.db2.gz KXCCPUPYUWNCSQ-VWYCJHECSA-N 1 2 243.372 1.623 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805614783 585740991 /nfs/dbraw/zinc/74/09/91/585740991.db2.gz SUKLDVHPHBDPPI-SNVBAGLBSA-N 1 2 227.304 1.382 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000778953029 585742515 /nfs/dbraw/zinc/74/25/15/585742515.db2.gz JBBJTJBFYIPIQF-WDEREUQCSA-N 1 2 220.320 1.528 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000778953029 585742516 /nfs/dbraw/zinc/74/25/16/585742516.db2.gz JBBJTJBFYIPIQF-WDEREUQCSA-N 1 2 220.320 1.528 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000779198709 585746902 /nfs/dbraw/zinc/74/69/02/585746902.db2.gz KXQYPZKVVFYPEC-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000779198709 585746903 /nfs/dbraw/zinc/74/69/03/585746903.db2.gz KXQYPZKVVFYPEC-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Fc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccn1 ZINC000859259182 589025377 /nfs/dbraw/zinc/02/53/77/589025377.db2.gz DSSYSVAOHMYCLO-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccn1 ZINC000859259182 589025379 /nfs/dbraw/zinc/02/53/79/589025379.db2.gz DSSYSVAOHMYCLO-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+]C(C)(C)C(C)(C)O ZINC000780308901 585777494 /nfs/dbraw/zinc/77/74/94/585777494.db2.gz FBGLYHQIYGDIML-JTQLQIEISA-N 1 2 245.363 1.857 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2CCC=CO2)[nH+]1 ZINC000780621414 585782478 /nfs/dbraw/zinc/78/24/78/585782478.db2.gz FWFZYSNZMJSYEY-JTQLQIEISA-N 1 2 249.318 1.351 20 0 BDADLO Cc1nc(NC[C@@H]2CCC=CO2)nc(N(C)C)[nH+]1 ZINC000780621414 585782479 /nfs/dbraw/zinc/78/24/79/585782479.db2.gz FWFZYSNZMJSYEY-JTQLQIEISA-N 1 2 249.318 1.351 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@@H+]1CCF ZINC000781347831 585794920 /nfs/dbraw/zinc/79/49/20/585794920.db2.gz WIPHSZSPDZUDBJ-SECBINFHSA-N 1 2 203.257 1.374 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@H+]1CCF ZINC000781347831 585794921 /nfs/dbraw/zinc/79/49/21/585794921.db2.gz WIPHSZSPDZUDBJ-SECBINFHSA-N 1 2 203.257 1.374 20 0 BDADLO Fc1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000781667424 585801557 /nfs/dbraw/zinc/80/15/57/585801557.db2.gz CXNLVJCKQFWPMG-SECBINFHSA-N 1 2 233.250 1.680 20 0 BDADLO OCCCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000781945393 585805636 /nfs/dbraw/zinc/80/56/36/585805636.db2.gz LKOCSQBQDRGMHA-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000781945393 585805637 /nfs/dbraw/zinc/80/56/37/585805637.db2.gz LKOCSQBQDRGMHA-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO CC(C)=C(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000782279687 585813691 /nfs/dbraw/zinc/81/36/91/585813691.db2.gz BGOBPZAOKPXHCP-LLVKDONJSA-N 1 2 241.331 1.607 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cscn1 ZINC000783266411 585832638 /nfs/dbraw/zinc/83/26/38/585832638.db2.gz YPJHKIFBYJNACQ-UHFFFAOYSA-N 1 2 237.284 1.587 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc(OC2COC2)cc1 ZINC000783315032 585833727 /nfs/dbraw/zinc/83/37/27/585833727.db2.gz HYIKNIFEJLWQBX-JTQLQIEISA-N 1 2 237.299 1.647 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCSC2=O)[C@H](C)[C@H](C)O1 ZINC000783542274 585836246 /nfs/dbraw/zinc/83/62/46/585836246.db2.gz JFYBQRGNWFXFLL-BBBLOLIVSA-N 1 2 244.360 1.610 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCSC2=O)[C@H](C)[C@H](C)O1 ZINC000783542274 585836247 /nfs/dbraw/zinc/83/62/47/585836247.db2.gz JFYBQRGNWFXFLL-BBBLOLIVSA-N 1 2 244.360 1.610 20 0 BDADLO Cc1[nH]nc(C(=O)OCCCn2cc[nH+]c2)c1C ZINC000783684054 585839859 /nfs/dbraw/zinc/83/98/59/585839859.db2.gz IRNRQPCXQOEPDT-UHFFFAOYSA-N 1 2 248.286 1.470 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccsc1 ZINC000783734331 585841134 /nfs/dbraw/zinc/84/11/34/585841134.db2.gz SCWXNRGGAGPXNU-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccsc1 ZINC000783734331 585841135 /nfs/dbraw/zinc/84/11/35/585841135.db2.gz SCWXNRGGAGPXNU-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(O)c1 ZINC000783735193 585841200 /nfs/dbraw/zinc/84/12/00/585841200.db2.gz ZPNPUAXFRRIMDI-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(O)c1 ZINC000783735193 585841201 /nfs/dbraw/zinc/84/12/01/585841201.db2.gz ZPNPUAXFRRIMDI-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO Cc1ncsc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000783732024 585841257 /nfs/dbraw/zinc/84/12/57/585841257.db2.gz AFGMTTAJRJDFOH-MRVPVSSYSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000783732024 585841258 /nfs/dbraw/zinc/84/12/58/585841258.db2.gz AFGMTTAJRJDFOH-MRVPVSSYSA-N 1 2 239.344 1.114 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccoc1 ZINC000783741540 585841724 /nfs/dbraw/zinc/84/17/24/585841724.db2.gz QXPRWESDXLTMSX-ZDUSSCGKSA-N 1 2 236.315 1.770 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccoc1 ZINC000783741540 585841725 /nfs/dbraw/zinc/84/17/25/585841725.db2.gz QXPRWESDXLTMSX-ZDUSSCGKSA-N 1 2 236.315 1.770 20 0 BDADLO CC(C)[C@H](F)C(=O)Nc1cc[nH+]cc1O ZINC000784456656 585860531 /nfs/dbraw/zinc/86/05/31/585860531.db2.gz XIJGJOYOEDYDSJ-VIFPVBQESA-N 1 2 212.224 1.142 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000784566988 585863637 /nfs/dbraw/zinc/86/36/37/585863637.db2.gz UONOXTXTTHADCT-GDNZZTSVSA-N 1 2 234.299 1.863 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCCCn1cc[nH+]c1 ZINC000784873535 585867250 /nfs/dbraw/zinc/86/72/50/585867250.db2.gz CADKFRMFEBWYLE-SNVBAGLBSA-N 1 2 228.267 1.811 20 0 BDADLO CCC(C)(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784913809 585868229 /nfs/dbraw/zinc/86/82/29/585868229.db2.gz HKOMSXIZDTWQCC-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO C/C=C/C=C\C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784920359 585868634 /nfs/dbraw/zinc/86/86/34/585868634.db2.gz GSDQNDDTWZFHAQ-UXVFWXEMSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC1CC([N@H+](C)CC(=O)OCC(C)C)C1 ZINC000805820750 585897965 /nfs/dbraw/zinc/89/79/65/585897965.db2.gz VYRPVDRZVLVQAK-UHFFFAOYSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC1CC([N@@H+](C)CC(=O)OCC(C)C)C1 ZINC000805820750 585897966 /nfs/dbraw/zinc/89/79/66/585897966.db2.gz VYRPVDRZVLVQAK-UHFFFAOYSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000787060049 585900554 /nfs/dbraw/zinc/90/05/54/585900554.db2.gz DOPSSPPUSWHQEM-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000787060049 585900555 /nfs/dbraw/zinc/90/05/55/585900555.db2.gz DOPSSPPUSWHQEM-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCn2ncnc2C1 ZINC000787276156 585904453 /nfs/dbraw/zinc/90/44/53/585904453.db2.gz SKMKGITVWHTLAJ-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCn2ncnc2C1 ZINC000787276156 585904454 /nfs/dbraw/zinc/90/44/54/585904454.db2.gz SKMKGITVWHTLAJ-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c(C)o1 ZINC000787417409 585908974 /nfs/dbraw/zinc/90/89/74/585908974.db2.gz NFEFJWKWEWDTIQ-GXFFZTMASA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c(C)o1 ZINC000787417409 585908975 /nfs/dbraw/zinc/90/89/75/585908975.db2.gz NFEFJWKWEWDTIQ-GXFFZTMASA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c(C)o1 ZINC000787417407 585909131 /nfs/dbraw/zinc/90/91/31/585909131.db2.gz NFEFJWKWEWDTIQ-GWCFXTLKSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c(C)o1 ZINC000787417407 585909132 /nfs/dbraw/zinc/90/91/32/585909132.db2.gz NFEFJWKWEWDTIQ-GWCFXTLKSA-N 1 2 239.315 1.478 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc2[nH+]ccn21 ZINC000787722038 585914725 /nfs/dbraw/zinc/91/47/25/585914725.db2.gz YBQBHWPAPDXBKO-DDFAGTSDSA-N 1 2 241.294 1.863 20 0 BDADLO CC1(O)C[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000788004966 585918687 /nfs/dbraw/zinc/91/86/87/585918687.db2.gz WWBCVLIZXKCVFL-UHFFFAOYSA-N 1 2 227.254 1.574 20 0 BDADLO NC(=[NH+]OCC1CCOCC1)[C@H]1CCCO1 ZINC000789614019 585945609 /nfs/dbraw/zinc/94/56/09/585945609.db2.gz ZXHPOENBVJUHTE-SNVBAGLBSA-N 1 2 228.292 1.090 20 0 BDADLO NC(=[NH+]OCC[C@H]1CCCCO1)[C@@H]1CCCO1 ZINC000789612716 585946591 /nfs/dbraw/zinc/94/65/91/585946591.db2.gz VARCHXUFFKCTSX-MNOVXSKESA-N 1 2 242.319 1.623 20 0 BDADLO CC(C)SCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789612982 585946635 /nfs/dbraw/zinc/94/66/35/585946635.db2.gz RZCLHROEVOQXRO-VIFPVBQESA-N 1 2 232.349 1.805 20 0 BDADLO C/C=C(/CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000789759533 585949461 /nfs/dbraw/zinc/94/94/61/585949461.db2.gz MRGLAKPWGUPSAN-OQFOIZHKSA-N 1 2 207.277 1.425 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000789772359 585949653 /nfs/dbraw/zinc/94/96/53/585949653.db2.gz MXMACOKEJHZLLX-WPRPVWTQSA-N 1 2 208.261 1.162 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C[C@H]1C=CCC1 ZINC000789777654 585949812 /nfs/dbraw/zinc/94/98/12/585949812.db2.gz UNDLYPRBHRZDLN-NSHDSACASA-N 1 2 234.299 1.862 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCCCc1[nH+]ccn1C ZINC000789790813 585949933 /nfs/dbraw/zinc/94/99/33/585949933.db2.gz CNKXJEXSFCUHLY-VHSXEESVSA-N 1 2 222.288 1.552 20 0 BDADLO COC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790152445 585958841 /nfs/dbraw/zinc/95/88/41/585958841.db2.gz FPZYBWWVRMIBEI-SNVBAGLBSA-N 1 2 222.244 1.301 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000790315802 585963626 /nfs/dbraw/zinc/96/36/26/585963626.db2.gz VGSMAYGBCSTXCF-VHSXEESVSA-N 1 2 206.293 1.282 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000790315802 585963627 /nfs/dbraw/zinc/96/36/27/585963627.db2.gz VGSMAYGBCSTXCF-VHSXEESVSA-N 1 2 206.293 1.282 20 0 BDADLO Cc1ccnc(CO[NH+]=C(N)COC(C)C)c1 ZINC000790500833 585965691 /nfs/dbraw/zinc/96/56/91/585965691.db2.gz QJEIADGDBOGTTI-UHFFFAOYSA-N 1 2 237.303 1.813 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cc(C)ccn1 ZINC000790502959 585965805 /nfs/dbraw/zinc/96/58/05/585965805.db2.gz GCHVTULCLVTRRE-VIFPVBQESA-N 1 2 223.276 1.423 20 0 BDADLO CCC1=C(C(=O)NCc2c[nH+]c[nH]2)CCCO1 ZINC000790660923 585967469 /nfs/dbraw/zinc/96/74/69/585967469.db2.gz FVMJIRASCYQVEH-UHFFFAOYSA-N 1 2 235.287 1.500 20 0 BDADLO CCC1=C(C(=O)NCc2c[nH]c[nH+]2)CCCO1 ZINC000790660923 585967470 /nfs/dbraw/zinc/96/74/70/585967470.db2.gz FVMJIRASCYQVEH-UHFFFAOYSA-N 1 2 235.287 1.500 20 0 BDADLO CCC1=C(C(=O)NCc2[nH]c[nH+]c2C)CCCO1 ZINC000790705169 585967699 /nfs/dbraw/zinc/96/76/99/585967699.db2.gz LHNOXKGOUBWGLS-UHFFFAOYSA-N 1 2 249.314 1.809 20 0 BDADLO Cc1ccnc(COC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000791392525 585980122 /nfs/dbraw/zinc/98/01/22/585980122.db2.gz SONSCHXXSFUZAD-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000791392525 585980123 /nfs/dbraw/zinc/98/01/23/585980123.db2.gz SONSCHXXSFUZAD-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791748864 585987357 /nfs/dbraw/zinc/98/73/57/585987357.db2.gz JHMWTBFGZGUDKU-UWVGGRQHSA-N 1 2 236.271 1.132 20 0 BDADLO CCO[C@H](CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791779061 585987720 /nfs/dbraw/zinc/98/77/20/585987720.db2.gz NUMUTXGLOVEXEA-SNVBAGLBSA-N 1 2 238.287 1.522 20 0 BDADLO COC1(CC(=O)OCc2c[nH+]cn2C)CCC1 ZINC000791818935 585988869 /nfs/dbraw/zinc/98/88/69/585988869.db2.gz UCHRQYVCXFETPF-UHFFFAOYSA-N 1 2 238.287 1.423 20 0 BDADLO COC[C@@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792011901 585993447 /nfs/dbraw/zinc/99/34/47/585993447.db2.gz PRSALKOPPIZPEJ-VIFPVBQESA-N 1 2 238.287 1.380 20 0 BDADLO C[C@]1(C(=O)OCc2cc[nH+]c(N)c2)CCCO1 ZINC000792012560 585993577 /nfs/dbraw/zinc/99/35/77/585993577.db2.gz UKSHPBXGDGEQQE-GFCCVEGCSA-N 1 2 236.271 1.276 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CCCCO2)cc[nH+]1 ZINC000792041713 585994676 /nfs/dbraw/zinc/99/46/76/585994676.db2.gz QACBRDBOFWSJNW-JTQLQIEISA-N 1 2 236.271 1.276 20 0 BDADLO CC[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000792289728 585999297 /nfs/dbraw/zinc/99/92/97/585999297.db2.gz SXOHYWKOEDOUAR-QWRGUYRKSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCOC1=O)C2 ZINC000792312813 585999775 /nfs/dbraw/zinc/99/97/75/585999775.db2.gz OWLOCPPGBVPVHG-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000792312813 585999776 /nfs/dbraw/zinc/99/97/76/585999776.db2.gz OWLOCPPGBVPVHG-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO FC1(C[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000793060033 586009490 /nfs/dbraw/zinc/00/94/90/586009490.db2.gz SQGWSGSNSNMWEU-UHFFFAOYSA-N 1 2 246.289 1.859 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCSC1 ZINC000793252544 586015110 /nfs/dbraw/zinc/01/51/10/586015110.db2.gz GKXNKUGEUMOWQX-VIFPVBQESA-N 1 2 240.328 1.259 20 0 BDADLO Cn1nncc1C[NH+]1CCC(F)(F)CC1 ZINC000793362689 586017090 /nfs/dbraw/zinc/01/70/90/586017090.db2.gz USVAUKQSEPYKPE-UHFFFAOYSA-N 1 2 216.235 1.046 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CCCOC1 ZINC000793464743 586020701 /nfs/dbraw/zinc/02/07/01/586020701.db2.gz SCFDZLJQNIYBAN-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CCC/C=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000793515475 586021316 /nfs/dbraw/zinc/02/13/16/586021316.db2.gz JWDRULMWPLSFTL-PLNGDYQASA-N 1 2 219.288 1.582 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793885908 586028443 /nfs/dbraw/zinc/02/84/43/586028443.db2.gz GENVAQOVKKPUHE-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793885908 586028444 /nfs/dbraw/zinc/02/84/44/586028444.db2.gz GENVAQOVKKPUHE-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1ccccc1C(N)=[NH+]O[C@@H]1CCOC1 ZINC000794518489 586041336 /nfs/dbraw/zinc/04/13/36/586041336.db2.gz LEHQINWPTSWBNA-SNVBAGLBSA-N 1 2 220.272 1.630 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OC[C@H]1CCCO1 ZINC000794521894 586041800 /nfs/dbraw/zinc/04/18/00/586041800.db2.gz RMVYBLBXFPFMJZ-SECBINFHSA-N 1 2 230.308 1.479 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000794624406 586045526 /nfs/dbraw/zinc/04/55/26/586045526.db2.gz PWDZIQNNLPANAH-ZJUUUORDSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000794624406 586045527 /nfs/dbraw/zinc/04/55/27/586045527.db2.gz PWDZIQNNLPANAH-ZJUUUORDSA-N 1 2 243.257 1.855 20 0 BDADLO c1cn(-c2ccccc2OCC2OCCO2)c[nH+]1 ZINC000794721955 586047499 /nfs/dbraw/zinc/04/74/99/586047499.db2.gz VRUICKYIAUAJHF-UHFFFAOYSA-N 1 2 246.266 1.624 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nonc1C ZINC000795193420 586071181 /nfs/dbraw/zinc/07/11/81/586071181.db2.gz RHPFVLDVTWEDDM-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nonc1C ZINC000795193420 586071183 /nfs/dbraw/zinc/07/11/83/586071183.db2.gz RHPFVLDVTWEDDM-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO C[N@H+](C[C@H]1CCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795685230 586091038 /nfs/dbraw/zinc/09/10/38/586091038.db2.gz QLMUHKSMXDIKFV-ZJUUUORDSA-N 1 2 227.304 1.191 20 0 BDADLO C[N@@H+](C[C@H]1CCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795685230 586091039 /nfs/dbraw/zinc/09/10/39/586091039.db2.gz QLMUHKSMXDIKFV-ZJUUUORDSA-N 1 2 227.304 1.191 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CC(C)(C)OC2=O)O1 ZINC000795710378 586091460 /nfs/dbraw/zinc/09/14/60/586091460.db2.gz OUZIHJNCHZWUEE-MXWKQRLJSA-N 1 2 241.331 1.580 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)O1 ZINC000795710378 586091461 /nfs/dbraw/zinc/09/14/61/586091461.db2.gz OUZIHJNCHZWUEE-MXWKQRLJSA-N 1 2 241.331 1.580 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000796497516 586105141 /nfs/dbraw/zinc/10/51/41/586105141.db2.gz AKVOVFGINVMEIC-RNFRBKRXSA-N 1 2 240.130 1.674 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000796497516 586105142 /nfs/dbraw/zinc/10/51/42/586105142.db2.gz AKVOVFGINVMEIC-RNFRBKRXSA-N 1 2 240.130 1.674 20 0 BDADLO CC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000796582953 586107748 /nfs/dbraw/zinc/10/77/48/586107748.db2.gz IGMYTAAGJUBASP-SECBINFHSA-N 1 2 221.247 1.322 20 0 BDADLO CC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000796582953 586107749 /nfs/dbraw/zinc/10/77/49/586107749.db2.gz IGMYTAAGJUBASP-SECBINFHSA-N 1 2 221.247 1.322 20 0 BDADLO C[S@](=O)CCSc1[nH+]cc2ccccn21 ZINC000798233293 586141178 /nfs/dbraw/zinc/14/11/78/586141178.db2.gz BZBOGLGIIFIJLK-HNNXBMFYSA-N 1 2 240.353 1.805 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H]3C[C@H]32)n(-c2ccccc2)n1 ZINC000799146211 586162191 /nfs/dbraw/zinc/16/21/91/586162191.db2.gz BRZXLZBESJBEKR-WCQYABFASA-N 1 2 240.310 1.862 20 0 BDADLO c1nc(C[N@H+]2CC[C@H]3C[C@H]32)n(-c2ccccc2)n1 ZINC000799146211 586162193 /nfs/dbraw/zinc/16/21/93/586162193.db2.gz BRZXLZBESJBEKR-WCQYABFASA-N 1 2 240.310 1.862 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cn1nccc1C ZINC000859382293 589035071 /nfs/dbraw/zinc/03/50/71/589035071.db2.gz GPJAAOUPXZYHOC-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO FC(F)[C@@H]1CCCC[N@@H+]1CCC1OCCO1 ZINC000800445927 586220240 /nfs/dbraw/zinc/22/02/40/586220240.db2.gz FKFPOHPZGGRAJJ-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO FC(F)[C@@H]1CCCC[N@H+]1CCC1OCCO1 ZINC000800445927 586220243 /nfs/dbraw/zinc/22/02/43/586220243.db2.gz FKFPOHPZGGRAJJ-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1C[C@@H]1C(F)F ZINC000801481207 586259320 /nfs/dbraw/zinc/25/93/20/586259320.db2.gz FRSQOIIHIQWYJS-IUCAKERBSA-N 1 2 244.241 1.718 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801559410 586261606 /nfs/dbraw/zinc/26/16/06/586261606.db2.gz IIXWUOTXNNUPBR-OPRDCNLKSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801559410 586261607 /nfs/dbraw/zinc/26/16/07/586261607.db2.gz IIXWUOTXNNUPBR-OPRDCNLKSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801559408 586262003 /nfs/dbraw/zinc/26/20/03/586262003.db2.gz IIXWUOTXNNUPBR-BBBLOLIVSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801559408 586262004 /nfs/dbraw/zinc/26/20/04/586262004.db2.gz IIXWUOTXNNUPBR-BBBLOLIVSA-N 1 2 235.274 1.520 20 0 BDADLO O=C1OCCN1CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859476363 589039809 /nfs/dbraw/zinc/03/98/09/589039809.db2.gz QZYFJVGKEOFNSI-UHFFFAOYSA-N 1 2 248.282 1.160 20 0 BDADLO O=C1OCCN1CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859476363 589039811 /nfs/dbraw/zinc/03/98/11/589039811.db2.gz QZYFJVGKEOFNSI-UHFFFAOYSA-N 1 2 248.282 1.160 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCSC(C)(C)C ZINC000801917977 586276394 /nfs/dbraw/zinc/27/63/94/586276394.db2.gz UJZCSBHCOOSECK-SECBINFHSA-N 1 2 230.377 1.338 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCSC(C)(C)C ZINC000801917977 586276396 /nfs/dbraw/zinc/27/63/96/586276396.db2.gz UJZCSBHCOOSECK-SECBINFHSA-N 1 2 230.377 1.338 20 0 BDADLO CCCCOC(=O)CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000801944955 586281455 /nfs/dbraw/zinc/28/14/55/586281455.db2.gz RPTGNGCSASHORV-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO CCCCOC(=O)CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000801944955 586281457 /nfs/dbraw/zinc/28/14/57/586281457.db2.gz RPTGNGCSASHORV-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@H](C)[C@H](C)C2=O)CCO1 ZINC000839956527 586292934 /nfs/dbraw/zinc/29/29/34/586292934.db2.gz ABEVYQYGEVWOEL-SDDRHHMPSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@H](C)[C@H](C)C2=O)CCO1 ZINC000839956527 586292935 /nfs/dbraw/zinc/29/29/35/586292935.db2.gz ABEVYQYGEVWOEL-SDDRHHMPSA-N 1 2 240.347 1.169 20 0 BDADLO O=C(Cc1cccnc1)OCCn1cc[nH+]c1 ZINC000802229137 586296798 /nfs/dbraw/zinc/29/67/98/586296798.db2.gz WAQFEENAXQURDR-UHFFFAOYSA-N 1 2 231.255 1.064 20 0 BDADLO CS[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000802228122 586296841 /nfs/dbraw/zinc/29/68/41/586296841.db2.gz KGYZRWFCWUFOGO-QMMMGPOBSA-N 1 2 214.290 1.178 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1CC=CC1 ZINC000802233696 586297313 /nfs/dbraw/zinc/29/73/13/586297313.db2.gz RILZRMHRWZLMIN-LLVKDONJSA-N 1 2 227.279 1.540 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1CC=CC1 ZINC000802233696 586297315 /nfs/dbraw/zinc/29/73/15/586297315.db2.gz RILZRMHRWZLMIN-LLVKDONJSA-N 1 2 227.279 1.540 20 0 BDADLO CC(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802238467 586298168 /nfs/dbraw/zinc/29/81/68/586298168.db2.gz FHGGFBPBRUGZKT-SECBINFHSA-N 1 2 203.257 1.229 20 0 BDADLO CC(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802238467 586298169 /nfs/dbraw/zinc/29/81/69/586298169.db2.gz FHGGFBPBRUGZKT-SECBINFHSA-N 1 2 203.257 1.229 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CC12CCC2 ZINC000802236023 586298352 /nfs/dbraw/zinc/29/83/52/586298352.db2.gz FEYRYYVANYZTBB-GHMZBOCLSA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CC12CCC2 ZINC000802236023 586298353 /nfs/dbraw/zinc/29/83/53/586298353.db2.gz FEYRYYVANYZTBB-GHMZBOCLSA-N 1 2 241.306 1.764 20 0 BDADLO O=C1[C@@H]2CCC[C@@H]2CN1C[NH+]1CCSCC1 ZINC000839965634 586304336 /nfs/dbraw/zinc/30/43/36/586304336.db2.gz ONXFUMGFZJFMND-GHMZBOCLSA-N 1 2 240.372 1.251 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@H]2CC2(C)C)C1 ZINC000802772533 586313552 /nfs/dbraw/zinc/31/35/52/586313552.db2.gz OTDJXGIWYQRSPE-LLVKDONJSA-N 1 2 241.331 1.296 20 0 BDADLO CS/C=C/C(=O)OCCCc1[nH+]ccn1C ZINC000802787946 586314143 /nfs/dbraw/zinc/31/41/43/586314143.db2.gz NNQRSFSRWSYPNK-WEVVVXLNSA-N 1 2 240.328 1.773 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)CC2(C)COC2)n1 ZINC000859572915 589045461 /nfs/dbraw/zinc/04/54/61/589045461.db2.gz TZOYNPMSWQEHGO-UHFFFAOYSA-N 1 2 238.335 1.075 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)CC2(C)COC2)n1 ZINC000859572915 589045463 /nfs/dbraw/zinc/04/54/63/589045463.db2.gz TZOYNPMSWQEHGO-UHFFFAOYSA-N 1 2 238.335 1.075 20 0 BDADLO Cc1ncc(COC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC000803360743 586347336 /nfs/dbraw/zinc/34/73/36/586347336.db2.gz FNIXVFVPMYRXNF-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1ncc(COC(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC000803360743 586347339 /nfs/dbraw/zinc/34/73/39/586347339.db2.gz FNIXVFVPMYRXNF-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO CC(C)CC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495357 586362046 /nfs/dbraw/zinc/36/20/46/586362046.db2.gz OHKJYZIZSFPSNO-LBPRGKRZSA-N 1 2 243.347 1.731 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC000859662893 589053102 /nfs/dbraw/zinc/05/31/02/589053102.db2.gz HERFDXDGNWEZJW-LURJTMIESA-N 1 2 223.103 1.255 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC000859662893 589053104 /nfs/dbraw/zinc/05/31/04/589053104.db2.gz HERFDXDGNWEZJW-LURJTMIESA-N 1 2 223.103 1.255 20 0 BDADLO CC[C@@H](C)CCC(=O)OCC[NH+]1CCOCC1 ZINC000803879592 586378592 /nfs/dbraw/zinc/37/85/92/586378592.db2.gz OPYPHXCKOPYXPE-GFCCVEGCSA-N 1 2 243.347 1.688 20 0 BDADLO C[C@H]1CN(C[N@H+](C)Cc2cccn2C)C(=O)[C@@H]1C ZINC000840024336 586383601 /nfs/dbraw/zinc/38/36/01/586383601.db2.gz FEBOTTSTLQSGCL-NWDGAFQWSA-N 1 2 249.358 1.529 20 0 BDADLO C[C@H]1CN(C[N@@H+](C)Cc2cccn2C)C(=O)[C@@H]1C ZINC000840024336 586383604 /nfs/dbraw/zinc/38/36/04/586383604.db2.gz FEBOTTSTLQSGCL-NWDGAFQWSA-N 1 2 249.358 1.529 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CCOC(C)(C)[C@@H]2C)C1=O ZINC000840029808 586385529 /nfs/dbraw/zinc/38/55/29/586385529.db2.gz VCOSCWGVRCAKCW-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CCOC(C)(C)[C@@H]2C)C1=O ZINC000840029808 586385531 /nfs/dbraw/zinc/38/55/31/586385531.db2.gz VCOSCWGVRCAKCW-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO O=C1CC2(CCC2)C(=O)N1C[N@H+]1CC=CCC1 ZINC000840039747 586390554 /nfs/dbraw/zinc/39/05/54/586390554.db2.gz CDOWTKISCALPSC-UHFFFAOYSA-N 1 2 234.299 1.135 20 0 BDADLO O=C1CC2(CCC2)C(=O)N1C[N@@H+]1CC=CCC1 ZINC000840039747 586390556 /nfs/dbraw/zinc/39/05/56/586390556.db2.gz CDOWTKISCALPSC-UHFFFAOYSA-N 1 2 234.299 1.135 20 0 BDADLO O=C(C=C1CCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333889 586390923 /nfs/dbraw/zinc/39/09/23/586390923.db2.gz SAICFOUKVJTQLS-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337353 586392377 /nfs/dbraw/zinc/39/23/77/586392377.db2.gz YAVQPWAXFMZPHK-CGXZDELUSA-N 1 2 233.315 1.670 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840043570 586392668 /nfs/dbraw/zinc/39/26/68/586392668.db2.gz ULVKFXWSKZCESO-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840043570 586392671 /nfs/dbraw/zinc/39/26/71/586392671.db2.gz ULVKFXWSKZCESO-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@]1(C)C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840053445 586402801 /nfs/dbraw/zinc/40/28/01/586402801.db2.gz NYHWHCVZZOYJBX-WCQYABFASA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@]1(C)C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840053445 586402803 /nfs/dbraw/zinc/40/28/03/586402803.db2.gz NYHWHCVZZOYJBX-WCQYABFASA-N 1 2 240.347 1.313 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CC(C)(C)OC[C@@H]2C)C1=O ZINC000840055247 586404662 /nfs/dbraw/zinc/40/46/62/586404662.db2.gz MXCYGCFAHHVSIK-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CC(C)(C)OC[C@@H]2C)C1=O ZINC000840055247 586404663 /nfs/dbraw/zinc/40/46/63/586404663.db2.gz MXCYGCFAHHVSIK-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO Cc1cncc([C@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000806167491 586406597 /nfs/dbraw/zinc/40/65/97/586406597.db2.gz XUYUJDUECCLDCW-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CC(C)(C(=O)NC1=[NH+]CCS1)C1CC1 ZINC000806308885 586408994 /nfs/dbraw/zinc/40/89/94/586408994.db2.gz HZRAIFVRQLYTMK-UHFFFAOYSA-N 1 2 212.318 1.642 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000806440858 586412569 /nfs/dbraw/zinc/41/25/69/586412569.db2.gz BKGWXWPFJDVUBB-SNVBAGLBSA-N 1 2 247.298 1.683 20 0 BDADLO Cc1cc(=O)[nH]c(C=Cc2[nH]cc[nH+]2)n1 ZINC000806573244 586414695 /nfs/dbraw/zinc/41/46/95/586414695.db2.gz YSUJQDZDMOIKEF-NSCUHMNNSA-N 1 2 202.217 1.384 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H]2COC)C1 ZINC000840084456 586423691 /nfs/dbraw/zinc/42/36/91/586423691.db2.gz TZEZOJQUQGQNGH-YPMHNXCESA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H]2COC)C1 ZINC000840084456 586423692 /nfs/dbraw/zinc/42/36/92/586423692.db2.gz TZEZOJQUQGQNGH-YPMHNXCESA-N 1 2 240.347 1.313 20 0 BDADLO COC[C@H]1CC[N@@H+]1CN1C[C@H](C(C)C)CC1=O ZINC000840084647 586423719 /nfs/dbraw/zinc/42/37/19/586423719.db2.gz VIODZRAPHPTZBQ-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@H]1CC[N@H+]1CN1C[C@H](C(C)C)CC1=O ZINC000840084647 586423720 /nfs/dbraw/zinc/42/37/20/586423720.db2.gz VIODZRAPHPTZBQ-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO Cc1cc(NC(=O)c2cccnc2F)c(C)c[nH+]1 ZINC000807118631 586424204 /nfs/dbraw/zinc/42/42/04/586424204.db2.gz JTVZAUDZUDPWIX-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCO[C@@H](C)C2)n1 ZINC000843145049 586433480 /nfs/dbraw/zinc/43/34/80/586433480.db2.gz SFYSXRJLNXEXEV-IUCAKERBSA-N 1 2 225.292 1.462 20 0 BDADLO c1nncn1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000840093553 586442204 /nfs/dbraw/zinc/44/22/04/586442204.db2.gz IWSYXDZOMCRSBA-GFCCVEGCSA-N 1 2 236.319 1.127 20 0 BDADLO c1nncn1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000840093553 586442206 /nfs/dbraw/zinc/44/22/06/586442206.db2.gz IWSYXDZOMCRSBA-GFCCVEGCSA-N 1 2 236.319 1.127 20 0 BDADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840099972 586445666 /nfs/dbraw/zinc/44/56/66/586445666.db2.gz RATQBFOZLGIFDT-CMPLNLGQSA-N 1 2 244.310 1.015 20 0 BDADLO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840099972 586445667 /nfs/dbraw/zinc/44/56/67/586445667.db2.gz RATQBFOZLGIFDT-CMPLNLGQSA-N 1 2 244.310 1.015 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2CCC[C@@](C)(F)C2)C(=O)[C@H]1C ZINC000840098512 586445715 /nfs/dbraw/zinc/44/57/15/586445715.db2.gz HXERELIGLHDCCV-NTZNESFSSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CN(C[N@H+]2CCC[C@@](C)(F)C2)C(=O)[C@H]1C ZINC000840098512 586445716 /nfs/dbraw/zinc/44/57/16/586445716.db2.gz HXERELIGLHDCCV-NTZNESFSSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840101591 586446306 /nfs/dbraw/zinc/44/63/06/586446306.db2.gz USRUAYXHUIXWNK-CMPLNLGQSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840101591 586446307 /nfs/dbraw/zinc/44/63/07/586446307.db2.gz USRUAYXHUIXWNK-CMPLNLGQSA-N 1 2 228.311 1.636 20 0 BDADLO CCc1cc(C[NH2+]Cc2cn(C(C)C)nn2)[nH]n1 ZINC000808390095 586469971 /nfs/dbraw/zinc/46/99/71/586469971.db2.gz OCSMFQRYIIQNRW-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1cnn(C)n1 ZINC000808418110 586471645 /nfs/dbraw/zinc/47/16/45/586471645.db2.gz IQFKIGMBHFSQKU-UHFFFAOYSA-N 1 2 248.334 1.191 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCC(=O)C(C)C ZINC000808734244 586485819 /nfs/dbraw/zinc/48/58/19/586485819.db2.gz PWMCBUWOCGFHDH-NSHDSACASA-N 1 2 243.347 1.874 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC(=O)C(C)C ZINC000808734244 586485820 /nfs/dbraw/zinc/48/58/20/586485820.db2.gz PWMCBUWOCGFHDH-NSHDSACASA-N 1 2 243.347 1.874 20 0 BDADLO NC(=O)C[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000808773646 586489522 /nfs/dbraw/zinc/48/95/22/586489522.db2.gz OEGIMRDZDCSKRY-ZCFIWIBFSA-N 1 2 242.216 1.084 20 0 BDADLO NC(=O)C[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000808773646 586489523 /nfs/dbraw/zinc/48/95/23/586489523.db2.gz OEGIMRDZDCSKRY-ZCFIWIBFSA-N 1 2 242.216 1.084 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cccnc1 ZINC000809062255 586495069 /nfs/dbraw/zinc/49/50/69/586495069.db2.gz VJKKGMDUEZQYOF-UHFFFAOYSA-N 1 2 244.250 1.842 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnc2ccccn12 ZINC000809743830 586516684 /nfs/dbraw/zinc/51/66/84/586516684.db2.gz HVVPUSQMQMNFDV-UHFFFAOYSA-N 1 2 243.270 1.316 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1c(C)noc1C ZINC000809975185 586528005 /nfs/dbraw/zinc/52/80/05/586528005.db2.gz ACBWZEVTGKBGTD-LLVKDONJSA-N 1 2 249.318 1.661 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000809985388 586528950 /nfs/dbraw/zinc/52/89/50/586528950.db2.gz KSUUEFISSDUCKQ-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[N@H+](CCF)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074339 586533300 /nfs/dbraw/zinc/53/33/00/586533300.db2.gz SEVVTTWWHGBXBV-UHFFFAOYSA-N 1 2 232.299 1.507 20 0 BDADLO C[N@@H+](CCF)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074339 586533302 /nfs/dbraw/zinc/53/33/02/586533302.db2.gz SEVVTTWWHGBXBV-UHFFFAOYSA-N 1 2 232.299 1.507 20 0 BDADLO C[C@@]1(NCc2cn3ccccc3[nH+]2)CCOC1=O ZINC000810096626 586533562 /nfs/dbraw/zinc/53/35/62/586533562.db2.gz RPVBENWXEJHTOC-CYBMUJFWSA-N 1 2 245.282 1.130 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOC/C=C/Cl ZINC000810199913 586536755 /nfs/dbraw/zinc/53/67/55/586536755.db2.gz FPEDYBCYROFPFR-DUXPYHPUSA-N 1 2 241.678 1.618 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCCSC1 ZINC000810603125 586542361 /nfs/dbraw/zinc/54/23/61/586542361.db2.gz ZPXKHXZQRDKJRT-SECBINFHSA-N 1 2 240.328 1.607 20 0 BDADLO CCC(=O)O[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000810746301 586545764 /nfs/dbraw/zinc/54/57/64/586545764.db2.gz JGUXLVBEXCTPGA-NSHDSACASA-N 1 2 249.314 1.394 20 0 BDADLO CCC(=O)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000810746301 586545765 /nfs/dbraw/zinc/54/57/65/586545765.db2.gz JGUXLVBEXCTPGA-NSHDSACASA-N 1 2 249.314 1.394 20 0 BDADLO CN(C)c1cc(Cn2cnc(Cl)n2)cc[nH+]1 ZINC000840207994 586545819 /nfs/dbraw/zinc/54/58/19/586545819.db2.gz GWWIWWTYWCPOLP-UHFFFAOYSA-N 1 2 237.694 1.441 20 0 BDADLO CC(C)c1ocnc1C(=O)NCc1c[nH+]cn1C ZINC000810754615 586546240 /nfs/dbraw/zinc/54/62/40/586546240.db2.gz BHGQWFPMNBREJN-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1cnc(C(=O)NCc2c[nH+]cn2C)c(C)c1 ZINC000810755797 586546412 /nfs/dbraw/zinc/54/64/12/586546412.db2.gz IZXCPGVRBNLKFY-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)C1(CCF)CC1 ZINC000811341168 586558223 /nfs/dbraw/zinc/55/82/23/586558223.db2.gz OPVBQASAASUNSX-UHFFFAOYSA-N 1 2 245.294 1.002 20 0 BDADLO Cc1oc(C)c(C(=O)NCc2c[nH+]cn2C)c1C ZINC000811588891 586561784 /nfs/dbraw/zinc/56/17/84/586561784.db2.gz BMZCKNWQMIHAJC-UHFFFAOYSA-N 1 2 247.298 1.868 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NOC1CCC1 ZINC000812318262 586573412 /nfs/dbraw/zinc/57/34/12/586573412.db2.gz WYATXMBQWLGNRW-UHFFFAOYSA-N 1 2 238.291 1.057 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)NC1=[NH+]CCS1 ZINC000812448324 586577322 /nfs/dbraw/zinc/57/73/22/586577322.db2.gz SVNWMYLTTGPODL-SFYZADRCSA-N 1 2 230.333 1.124 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)n1C)[C@@H]1CCOC1 ZINC000812780391 586584249 /nfs/dbraw/zinc/58/42/49/586584249.db2.gz CPGJFJGESFHABJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)n1C)[C@@H]1CCOC1 ZINC000812780391 586584250 /nfs/dbraw/zinc/58/42/50/586584250.db2.gz CPGJFJGESFHABJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CC[C@H](C)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842657009 586588857 /nfs/dbraw/zinc/58/88/57/586588857.db2.gz QTBFFGMDPSHMQM-WDEREUQCSA-N 1 2 244.335 1.727 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000814176155 586615681 /nfs/dbraw/zinc/61/56/81/586615681.db2.gz OCEALKGNISOTGF-LLVKDONJSA-N 1 2 243.328 1.146 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000814176155 586615682 /nfs/dbraw/zinc/61/56/82/586615682.db2.gz OCEALKGNISOTGF-LLVKDONJSA-N 1 2 243.328 1.146 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@@H]1CC(C)(C)OC1=O ZINC000814179999 586615950 /nfs/dbraw/zinc/61/59/50/586615950.db2.gz LUVWIFYJRAAXDD-SNVBAGLBSA-N 1 2 223.272 1.806 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@@H]1CC(C)(C)OC1=O ZINC000814179999 586615951 /nfs/dbraw/zinc/61/59/51/586615951.db2.gz LUVWIFYJRAAXDD-SNVBAGLBSA-N 1 2 223.272 1.806 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CC[C@@H](C)C2)C1 ZINC000815215760 586674093 /nfs/dbraw/zinc/67/40/93/586674093.db2.gz VDMFEPLETXDNOS-WOPDTQHZSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CC[C@@H](C)C2)C1 ZINC000815215760 586674094 /nfs/dbraw/zinc/67/40/94/586674094.db2.gz VDMFEPLETXDNOS-WOPDTQHZSA-N 1 2 241.331 1.439 20 0 BDADLO C[NH+](C)CCCCNC(=O)[C@@H](F)C(F)(F)F ZINC000815593732 586688221 /nfs/dbraw/zinc/68/82/21/586688221.db2.gz VLTHTZUAOYTKOT-SSDOTTSWSA-N 1 2 244.232 1.345 20 0 BDADLO C[NH+](C)CCCCNC(=O)C(F)C(F)(F)F ZINC000815593732 586688223 /nfs/dbraw/zinc/68/82/23/586688223.db2.gz VLTHTZUAOYTKOT-SSDOTTSWSA-N 1 2 244.232 1.345 20 0 BDADLO Cn1ncc(C[N@H+](C)C[C@@H]2CCCO2)c1Cl ZINC000816484667 586735985 /nfs/dbraw/zinc/73/59/85/586735985.db2.gz KYGGOPVTUVNRRU-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(C[N@@H+](C)C[C@@H]2CCCO2)c1Cl ZINC000816484667 586735989 /nfs/dbraw/zinc/73/59/89/586735989.db2.gz KYGGOPVTUVNRRU-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2Cl)CCCO1 ZINC000816502757 586737551 /nfs/dbraw/zinc/73/75/51/586737551.db2.gz OZIWYODTVUDUMQ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2Cl)CCCO1 ZINC000816502757 586737552 /nfs/dbraw/zinc/73/75/52/586737552.db2.gz OZIWYODTVUDUMQ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CCc1nocc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000816502806 586737702 /nfs/dbraw/zinc/73/77/02/586737702.db2.gz REKQKGVARDBOCI-UHFFFAOYSA-N 1 2 238.287 1.186 20 0 BDADLO CCc1nocc1C[N@H+]1CCC2(C1)OCCO2 ZINC000816502806 586737704 /nfs/dbraw/zinc/73/77/04/586737704.db2.gz REKQKGVARDBOCI-UHFFFAOYSA-N 1 2 238.287 1.186 20 0 BDADLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccoc2)C1 ZINC000816635208 586745981 /nfs/dbraw/zinc/74/59/81/586745981.db2.gz HAPRZPURNLIILE-LLVKDONJSA-N 1 2 241.262 1.613 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)[C@@H]1C ZINC000816649355 586752804 /nfs/dbraw/zinc/75/28/04/586752804.db2.gz XVXDGUGSVVDQKR-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)[C@@H]1C ZINC000816649355 586752805 /nfs/dbraw/zinc/75/28/05/586752805.db2.gz XVXDGUGSVVDQKR-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(F)cc1 ZINC000816812028 586764777 /nfs/dbraw/zinc/76/47/77/586764777.db2.gz YLPPQPSQYFKJGY-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO COc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816811835 586765638 /nfs/dbraw/zinc/76/56/38/586765638.db2.gz RLRASHMETBYVQT-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccnc1 ZINC000816822283 586766472 /nfs/dbraw/zinc/76/64/72/586766472.db2.gz GQPNLCVFGJYHDB-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(O)c1 ZINC000816829770 586766886 /nfs/dbraw/zinc/76/68/86/586766886.db2.gz DSMRVFBLXQTYAI-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO COc1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816840415 586767723 /nfs/dbraw/zinc/76/77/23/586767723.db2.gz ODNWKVSGDHIJAP-UHFFFAOYSA-N 1 2 231.255 1.600 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCc2occc21 ZINC000816847662 586768513 /nfs/dbraw/zinc/76/85/13/586768513.db2.gz IKHFNFTWDQCOMM-JTQLQIEISA-N 1 2 245.282 1.739 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816861278 586769206 /nfs/dbraw/zinc/76/92/06/586769206.db2.gz RFINJDKMYZGWMB-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)CN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000816947775 586772640 /nfs/dbraw/zinc/77/26/40/586772640.db2.gz BJQZXVNFJNENQB-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(CCO)cc1 ZINC000816952682 586773405 /nfs/dbraw/zinc/77/34/05/586773405.db2.gz PMYCCGFTTFSATP-UHFFFAOYSA-N 1 2 245.282 1.126 20 0 BDADLO CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816971336 586775202 /nfs/dbraw/zinc/77/52/02/586775202.db2.gz AJRCARUERAJASX-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817203009 586785733 /nfs/dbraw/zinc/78/57/33/586785733.db2.gz SVUFTBXDPVVRMX-TUAOUCFPSA-N 1 2 234.299 1.863 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)[C@@H]1CC12CC2 ZINC000817735224 586822887 /nfs/dbraw/zinc/82/28/87/586822887.db2.gz IAMOTSWKHGNWFL-NSHDSACASA-N 1 2 246.310 1.991 20 0 BDADLO FCC[C@@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000859904142 589069916 /nfs/dbraw/zinc/06/99/16/589069916.db2.gz WOYLYDSEOTWLMF-MAYCQVCUSA-N 1 2 207.676 1.799 20 0 BDADLO FCC[C@@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000859904142 589069918 /nfs/dbraw/zinc/06/99/18/589069918.db2.gz WOYLYDSEOTWLMF-MAYCQVCUSA-N 1 2 207.676 1.799 20 0 BDADLO CO[C@H](CO[NH+]=C(N)Cc1cccnc1)C1CC1 ZINC000818080090 586870909 /nfs/dbraw/zinc/87/09/09/586870909.db2.gz NQNDWEZVZQEOOE-GFCCVEGCSA-N 1 2 249.314 1.548 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2cccnc2)n1 ZINC000818116832 586874976 /nfs/dbraw/zinc/87/49/76/586874976.db2.gz QHTWAMWGZTWTOL-SNVBAGLBSA-N 1 2 245.330 1.852 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2nn(CC)nc2C)cn1 ZINC000818223109 586879865 /nfs/dbraw/zinc/87/98/65/586879865.db2.gz PLVALIGGMXBJLG-UHFFFAOYSA-N 1 2 246.318 1.193 20 0 BDADLO C[N@H+](C/C(Cl)=C/Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960052 589073989 /nfs/dbraw/zinc/07/39/89/589073989.db2.gz HOTBSAGECLUOSO-HVZHOZSVSA-N 1 2 237.130 1.501 20 0 BDADLO C[N@@H+](C/C(Cl)=C/Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960052 589073991 /nfs/dbraw/zinc/07/39/91/589073991.db2.gz HOTBSAGECLUOSO-HVZHOZSVSA-N 1 2 237.130 1.501 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)C1CC1 ZINC000859961808 589074040 /nfs/dbraw/zinc/07/40/40/589074040.db2.gz UZHCYSLPHREFNP-JTQLQIEISA-N 1 2 243.347 1.467 20 0 BDADLO Cc1ccnn1CC(=O)Nc1ccc(C)[nH+]c1C ZINC000859994130 589075154 /nfs/dbraw/zinc/07/51/54/589075154.db2.gz RVAGTZWTGZFJEX-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(F)=C1CCC1 ZINC000819238447 586942107 /nfs/dbraw/zinc/94/21/07/586942107.db2.gz GEZFRMPCRYTZEJ-UHFFFAOYSA-N 1 2 223.251 1.444 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000819283730 586947682 /nfs/dbraw/zinc/94/76/82/586947682.db2.gz IPTRTNFUCIGQBN-PCAWENJQSA-N 1 2 247.298 1.002 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C(F)=C1CCC1 ZINC000819302900 586949184 /nfs/dbraw/zinc/94/91/84/586949184.db2.gz QKMLLRSKYOKOQA-UHFFFAOYSA-N 1 2 209.224 1.433 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C(F)=C1CCC1 ZINC000819302900 586949185 /nfs/dbraw/zinc/94/91/85/586949185.db2.gz QKMLLRSKYOKOQA-UHFFFAOYSA-N 1 2 209.224 1.433 20 0 BDADLO COC[C@@H](O)CNc1ccc([NH+](C)C)c(C)c1 ZINC000819407771 586961970 /nfs/dbraw/zinc/96/19/70/586961970.db2.gz BDZBSYJYJXGJKG-LBPRGKRZSA-N 1 2 238.331 1.480 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1ccns1 ZINC000860061769 589078304 /nfs/dbraw/zinc/07/83/04/589078304.db2.gz NLFTUKZKOQZCAH-LURJTMIESA-N 1 2 210.262 1.377 20 0 BDADLO CC(C)SCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819768069 586991943 /nfs/dbraw/zinc/99/19/43/586991943.db2.gz ISUFHXSRRGMWFT-SSDOTTSWSA-N 1 2 232.374 1.736 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CCCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000820228852 587036889 /nfs/dbraw/zinc/03/68/89/587036889.db2.gz UXUOSOBCSLCEGG-QWRGUYRKSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CCCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000820228852 587036890 /nfs/dbraw/zinc/03/68/90/587036890.db2.gz UXUOSOBCSLCEGG-QWRGUYRKSA-N 1 2 240.347 1.456 20 0 BDADLO Cc1cnc(NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000820604007 587058281 /nfs/dbraw/zinc/05/82/81/587058281.db2.gz ALXRJFHYBDSHRX-UHFFFAOYSA-N 1 2 239.319 1.506 20 0 BDADLO Cc1ccc(N[C@H](C)c2cnnn2C)c[nH+]1 ZINC000820837820 587076044 /nfs/dbraw/zinc/07/60/44/587076044.db2.gz XHYBSMGDACWERZ-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820965897 587085286 /nfs/dbraw/zinc/08/52/86/587085286.db2.gz LADDQDODQDFNBY-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821036604 587090222 /nfs/dbraw/zinc/09/02/22/587090222.db2.gz KNSNYQVMENSQLS-OPRDCNLKSA-N 1 2 237.303 1.702 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821036604 587090224 /nfs/dbraw/zinc/09/02/24/587090224.db2.gz KNSNYQVMENSQLS-OPRDCNLKSA-N 1 2 237.303 1.702 20 0 BDADLO Cc1ccc2[nH+]cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])n2c1 ZINC000821107166 587096289 /nfs/dbraw/zinc/09/62/89/587096289.db2.gz MCAXSYVJPXVAQS-JTQLQIEISA-N 1 2 247.298 1.548 20 0 BDADLO Cc1ccc2[nH+]cc(C[N@H+](C)[C@@H](C)C(=O)[O-])n2c1 ZINC000821107166 587096291 /nfs/dbraw/zinc/09/62/91/587096291.db2.gz MCAXSYVJPXVAQS-JTQLQIEISA-N 1 2 247.298 1.548 20 0 BDADLO CCCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000821107805 587096704 /nfs/dbraw/zinc/09/67/04/587096704.db2.gz CKGZUKXAHCKAOP-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)ncn1 ZINC000821221424 587102642 /nfs/dbraw/zinc/10/26/42/587102642.db2.gz VKXQBGYAUHUJPD-GFCCVEGCSA-N 1 2 243.314 1.675 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)ncn1 ZINC000821221424 587102643 /nfs/dbraw/zinc/10/26/43/587102643.db2.gz VKXQBGYAUHUJPD-GFCCVEGCSA-N 1 2 243.314 1.675 20 0 BDADLO Cc1ccc([C@H](O)C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000821263246 587104107 /nfs/dbraw/zinc/10/41/07/587104107.db2.gz XNWZSNMPBVGQFH-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccc([C@H](O)C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000821263246 587104108 /nfs/dbraw/zinc/10/41/08/587104108.db2.gz XNWZSNMPBVGQFH-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO CC1(CCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000821385865 587115630 /nfs/dbraw/zinc/11/56/30/587115630.db2.gz OPLBOCHPLOCJOS-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@@H]1C ZINC000821564502 587128808 /nfs/dbraw/zinc/12/88/08/587128808.db2.gz IMFFMMSJMSSSCI-ZJUUUORDSA-N 1 2 219.288 1.684 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821720919 587135803 /nfs/dbraw/zinc/13/58/03/587135803.db2.gz TVZDFSZWJYTWDK-NXEZZACHSA-N 1 2 235.287 1.504 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821720919 587135805 /nfs/dbraw/zinc/13/58/05/587135805.db2.gz TVZDFSZWJYTWDK-NXEZZACHSA-N 1 2 235.287 1.504 20 0 BDADLO CC[C@](C)(O)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821785786 587138168 /nfs/dbraw/zinc/13/81/68/587138168.db2.gz HDJTXEYXRHQPPU-SBMIAAHKSA-N 1 2 237.303 1.166 20 0 BDADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000863468341 589290709 /nfs/dbraw/zinc/29/07/09/589290709.db2.gz WIEUOABSWSWZHP-BDAKNGLRSA-N 1 2 214.309 1.956 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)/C=C\c2cn(C)c[nH+]2)O1 ZINC000822337422 587162938 /nfs/dbraw/zinc/16/29/38/587162938.db2.gz HHZBQGPNZWJEJQ-INCYKZHSSA-N 1 2 249.314 1.117 20 0 BDADLO Cc1nonc1CNCc1c[nH+]cn1C(C)C ZINC000822480704 587170916 /nfs/dbraw/zinc/17/09/16/587170916.db2.gz DPYCKRKFXCTYEI-UHFFFAOYSA-N 1 2 235.291 1.445 20 0 BDADLO C[C@H](C(=O)Oc1ccc2c(c1)CC(=O)N2)[NH+](C)C ZINC000822623767 587178172 /nfs/dbraw/zinc/17/81/72/587178172.db2.gz ZYSWGLGNDLIBQX-MRVPVSSYSA-N 1 2 248.282 1.037 20 0 BDADLO O=C(CC[N@@H+]1Cc2cccnc2C1)N1CCCC1 ZINC000822996365 587197212 /nfs/dbraw/zinc/19/72/12/587197212.db2.gz LIBXRKUYPXFJQL-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO O=C(CC[N@H+]1Cc2cccnc2C1)N1CCCC1 ZINC000822996365 587197214 /nfs/dbraw/zinc/19/72/14/587197214.db2.gz LIBXRKUYPXFJQL-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO O=C(NOC/C=C\Cl)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823047057 587199511 /nfs/dbraw/zinc/19/95/11/587199511.db2.gz RMSSSVDSHRRUGH-LQKKCHKWSA-N 1 2 241.678 1.314 20 0 BDADLO O=C(NOC/C=C\Cl)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823047057 587199513 /nfs/dbraw/zinc/19/95/13/587199513.db2.gz RMSSSVDSHRRUGH-LQKKCHKWSA-N 1 2 241.678 1.314 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000823113445 587203732 /nfs/dbraw/zinc/20/37/32/587203732.db2.gz YEVNHYOCWYSLBB-MMRAYRKESA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000823113445 587203734 /nfs/dbraw/zinc/20/37/34/587203734.db2.gz YEVNHYOCWYSLBB-MMRAYRKESA-N 1 2 240.347 1.180 20 0 BDADLO OCC[N@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000823399372 587219494 /nfs/dbraw/zinc/21/94/94/587219494.db2.gz BHYNOBZFCQCBBU-UHFFFAOYSA-N 1 2 228.242 1.317 20 0 BDADLO OCC[N@@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000823399372 587219496 /nfs/dbraw/zinc/21/94/96/587219496.db2.gz BHYNOBZFCQCBBU-UHFFFAOYSA-N 1 2 228.242 1.317 20 0 BDADLO CCc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823402513 587220174 /nfs/dbraw/zinc/22/01/74/587220174.db2.gz ZUVNFQCLHJEIOT-ZETCQYMHSA-N 1 2 241.291 1.364 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000823492401 587226405 /nfs/dbraw/zinc/22/64/05/587226405.db2.gz MUXKAJZYIUUPDP-ZDUSSCGKSA-N 1 2 248.326 1.232 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000823492401 587226406 /nfs/dbraw/zinc/22/64/06/587226406.db2.gz MUXKAJZYIUUPDP-ZDUSSCGKSA-N 1 2 248.326 1.232 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1cc(F)ncc1F ZINC000824153470 587258700 /nfs/dbraw/zinc/25/87/00/587258700.db2.gz MHAFTQVWVNMMBL-SSDOTTSWSA-N 1 2 216.231 1.172 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1cc(F)ncc1F ZINC000824153470 587258702 /nfs/dbraw/zinc/25/87/02/587258702.db2.gz MHAFTQVWVNMMBL-SSDOTTSWSA-N 1 2 216.231 1.172 20 0 BDADLO O=C(NCc1ccns1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824857557 587290660 /nfs/dbraw/zinc/29/06/60/587290660.db2.gz TYKQQHCMXGNPSW-RKDXNWHRSA-N 1 2 248.311 1.286 20 0 BDADLO O=C(NCc1ccns1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824857557 587290661 /nfs/dbraw/zinc/29/06/61/587290661.db2.gz TYKQQHCMXGNPSW-RKDXNWHRSA-N 1 2 248.311 1.286 20 0 BDADLO CC[C@@H](C)CCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824918419 587293698 /nfs/dbraw/zinc/29/36/98/587293698.db2.gz VIVOTBBCEQGSLF-MVIFTORASA-N 1 2 235.331 1.986 20 0 BDADLO CCC[C@@H](CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000824981953 587296824 /nfs/dbraw/zinc/29/68/24/587296824.db2.gz GJUIMAFYIFCJTE-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000824981953 587296826 /nfs/dbraw/zinc/29/68/26/587296826.db2.gz GJUIMAFYIFCJTE-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000824998896 587298198 /nfs/dbraw/zinc/29/81/98/587298198.db2.gz FRZMMHJYYROKPH-BFVZDQMLSA-N 1 2 246.310 1.979 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000825103480 587304495 /nfs/dbraw/zinc/30/44/95/587304495.db2.gz GQWGTOLRZGXRIP-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccnc(Cl)c1F ZINC000825103480 587304497 /nfs/dbraw/zinc/30/44/97/587304497.db2.gz GQWGTOLRZGXRIP-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000825117667 587305622 /nfs/dbraw/zinc/30/56/22/587305622.db2.gz JJPFJLNZQZKLEX-WDEREUQCSA-N 1 2 227.304 1.609 20 0 BDADLO O=C(NC1CSC1)c1cc2c[nH+]ccc2[nH]1 ZINC000825571948 587325812 /nfs/dbraw/zinc/32/58/12/587325812.db2.gz CVEZVDYYEPWJRH-UHFFFAOYSA-N 1 2 233.296 1.408 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CSCCF ZINC000825665791 587330409 /nfs/dbraw/zinc/33/04/09/587330409.db2.gz DHOGABPAAXSDQH-IUCAKERBSA-N 1 2 237.340 1.619 20 0 BDADLO Cc1cc[nH+]c(N2CC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826309755 587352285 /nfs/dbraw/zinc/35/22/85/587352285.db2.gz ARGGILBLVVRMQP-MRVPVSSYSA-N 1 2 244.302 1.416 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2C[C@H]2C)c1-c1nn[nH]n1 ZINC000826312084 587352398 /nfs/dbraw/zinc/35/23/98/587352398.db2.gz VQPKRKVMUMRDAY-SFYZADRCSA-N 1 2 230.275 1.390 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000826572704 587355278 /nfs/dbraw/zinc/35/52/78/587355278.db2.gz RUBYQGMTPUNWOH-DTWKUNHWSA-N 1 2 207.277 1.257 20 0 BDADLO CN(Cc1coc(C2CC2)n1)Cc1c[nH+]c[nH]1 ZINC000826769865 587362003 /nfs/dbraw/zinc/36/20/03/587362003.db2.gz UDHHLOOYVLUOCU-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO CN(Cc1coc(C2CC2)n1)Cc1c[nH]c[nH+]1 ZINC000826769865 587362004 /nfs/dbraw/zinc/36/20/04/587362004.db2.gz UDHHLOOYVLUOCU-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO COCC[N@H+](CCF)Cc1ccoc1 ZINC000827053863 587369125 /nfs/dbraw/zinc/36/91/25/587369125.db2.gz IFSRVZDMVDCYRH-UHFFFAOYSA-N 1 2 201.241 1.698 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccoc1 ZINC000827053863 587369126 /nfs/dbraw/zinc/36/91/26/587369126.db2.gz IFSRVZDMVDCYRH-UHFFFAOYSA-N 1 2 201.241 1.698 20 0 BDADLO CCc1nn(C)cc1C[N@H+](CCF)CCOC ZINC000827054309 587369266 /nfs/dbraw/zinc/36/92/66/587369266.db2.gz QFYJMQUMLXNBDL-UHFFFAOYSA-N 1 2 243.326 1.400 20 0 BDADLO CCc1nn(C)cc1C[N@@H+](CCF)CCOC ZINC000827054309 587369267 /nfs/dbraw/zinc/36/92/67/587369267.db2.gz QFYJMQUMLXNBDL-UHFFFAOYSA-N 1 2 243.326 1.400 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCc1[nH]cc[nH+]1 ZINC000827299653 587376037 /nfs/dbraw/zinc/37/60/37/587376037.db2.gz QOCCKJWRWBOHLP-NSHDSACASA-N 1 2 227.283 1.944 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1CCC=CO1 ZINC000827352660 587378220 /nfs/dbraw/zinc/37/82/20/587378220.db2.gz MSJUCOCOLSLVAY-CMPLNLGQSA-N 1 2 245.294 1.560 20 0 BDADLO O=C(NC[C@H]1C[C@@H](O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000827508512 587384778 /nfs/dbraw/zinc/38/47/78/587384778.db2.gz NXVUPOUXDGWNHH-WAAGHKOSSA-N 1 2 245.282 1.064 20 0 BDADLO Cc1c[nH]c(CNC(=O)[C@]2(C)C=CCC2)[nH+]1 ZINC000827582357 587389982 /nfs/dbraw/zinc/38/99/82/587389982.db2.gz HJTTYDIXSPQSJP-GFCCVEGCSA-N 1 2 219.288 1.691 20 0 BDADLO CCC[N@H+](CCC(=O)CC(C)C)CC(=O)OC ZINC000827797012 587402829 /nfs/dbraw/zinc/40/28/29/587402829.db2.gz BLDSHEVVJQWMFS-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCC[N@@H+](CCC(=O)CC(C)C)CC(=O)OC ZINC000827797012 587402830 /nfs/dbraw/zinc/40/28/30/587402830.db2.gz BLDSHEVVJQWMFS-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO O=CN1CCC[N@@H+](Cc2ccc(Cl)o2)CC1 ZINC000827877162 587406957 /nfs/dbraw/zinc/40/69/57/587406957.db2.gz JJGLZLZOVIYAEH-UHFFFAOYSA-N 1 2 242.706 1.597 20 0 BDADLO O=CN1CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC000827877162 587406958 /nfs/dbraw/zinc/40/69/58/587406958.db2.gz JJGLZLZOVIYAEH-UHFFFAOYSA-N 1 2 242.706 1.597 20 0 BDADLO COC[C@H]1C[N@H+](CCC(=O)CC(C)C)CCO1 ZINC000827940170 587410865 /nfs/dbraw/zinc/41/08/65/587410865.db2.gz ISVTVQKDIVPAEU-CYBMUJFWSA-N 1 2 243.347 1.339 20 0 BDADLO COC[C@H]1C[N@@H+](CCC(=O)CC(C)C)CCO1 ZINC000827940170 587410866 /nfs/dbraw/zinc/41/08/66/587410866.db2.gz ISVTVQKDIVPAEU-CYBMUJFWSA-N 1 2 243.347 1.339 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)/C=C/c2cn(C)c[nH+]2)[C@H](C)O1 ZINC000828056544 587418145 /nfs/dbraw/zinc/41/81/45/587418145.db2.gz MXYXYOJTNNCSLG-QTIKQWDBSA-N 1 2 249.314 1.115 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)/C=C/c2cn(C)c[nH+]2)[C@@H](C)O1 ZINC000828056543 587418371 /nfs/dbraw/zinc/41/83/71/587418371.db2.gz MXYXYOJTNNCSLG-NSGKAMMNSA-N 1 2 249.314 1.115 20 0 BDADLO CSCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828225266 587425600 /nfs/dbraw/zinc/42/56/00/587425600.db2.gz WDWXOHJUNKHHLF-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO CCCONC(=O)NCc1cn2ccccc2[nH+]1 ZINC000828233124 587426364 /nfs/dbraw/zinc/42/63/64/587426364.db2.gz ZHKMBXKOXZJVBV-UHFFFAOYSA-N 1 2 248.286 1.475 20 0 BDADLO CCCONC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000828337982 587436734 /nfs/dbraw/zinc/43/67/34/587436734.db2.gz BMFSQXQAWWKJLP-VIFPVBQESA-N 1 2 240.307 1.605 20 0 BDADLO COc1ccnc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000828357218 587438204 /nfs/dbraw/zinc/43/82/04/587438204.db2.gz ARPZUMZKNWJMCX-MRVPVSSYSA-N 1 2 231.259 1.239 20 0 BDADLO Cc1cc(C)nc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000828358919 587438375 /nfs/dbraw/zinc/43/83/75/587438375.db2.gz WUPTZDRVOIIKCM-SNVBAGLBSA-N 1 2 229.287 1.847 20 0 BDADLO Cc1cccc(CC[N@H+]2CC(=O)N(C)C[C@@H]2C)n1 ZINC000828382556 587439427 /nfs/dbraw/zinc/43/94/27/587439427.db2.gz SWSGZERIODGSRW-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cccc(CC[N@@H+]2CC(=O)N(C)C[C@@H]2C)n1 ZINC000828382556 587439428 /nfs/dbraw/zinc/43/94/28/587439428.db2.gz SWSGZERIODGSRW-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO CCC(F)(F)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000828405539 587440355 /nfs/dbraw/zinc/44/03/55/587440355.db2.gz YHTVOIOMRFHLHQ-VIFPVBQESA-N 1 2 245.273 1.681 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000828409088 587440435 /nfs/dbraw/zinc/44/04/35/587440435.db2.gz ZEAJLSKLSJVGKM-WCQYABFASA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000828409088 587440434 /nfs/dbraw/zinc/44/04/34/587440434.db2.gz ZEAJLSKLSJVGKM-WCQYABFASA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCOCC12CC2 ZINC000828469590 587444535 /nfs/dbraw/zinc/44/45/35/587444535.db2.gz PFFZFSIYVZHFFD-UHFFFAOYSA-N 1 2 225.332 1.857 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCOCC12CC2 ZINC000828469590 587444536 /nfs/dbraw/zinc/44/45/36/587444536.db2.gz PFFZFSIYVZHFFD-UHFFFAOYSA-N 1 2 225.332 1.857 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)[C@H](C)C2)n1 ZINC000828529117 587447744 /nfs/dbraw/zinc/44/77/44/587447744.db2.gz HYLSAXGEQWJRGU-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)[C@H](C)C2)n1 ZINC000828529117 587447746 /nfs/dbraw/zinc/44/77/46/587447746.db2.gz HYLSAXGEQWJRGU-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO C[S@](=O)CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000828588744 587452198 /nfs/dbraw/zinc/45/21/98/587452198.db2.gz BLLLHWLNHLRMFX-INIZCTEOSA-N 1 2 241.331 1.562 20 0 BDADLO C[S@](=O)CC[N@H+]1CCc2cccc(F)c2C1 ZINC000828588744 587452199 /nfs/dbraw/zinc/45/21/99/587452199.db2.gz BLLLHWLNHLRMFX-INIZCTEOSA-N 1 2 241.331 1.562 20 0 BDADLO CCC(F)(F)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000828773572 587460992 /nfs/dbraw/zinc/46/09/92/587460992.db2.gz GVURLMQLELOYQV-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CCC(F)(F)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000828773572 587460996 /nfs/dbraw/zinc/46/09/96/587460996.db2.gz GVURLMQLELOYQV-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@H](CF)C2)c1 ZINC000829232680 587489494 /nfs/dbraw/zinc/48/94/94/587489494.db2.gz SDYMRVICBCCTHK-VMZHVLLKSA-N 1 2 237.278 1.251 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H](CF)C2)c1 ZINC000829232679 587489621 /nfs/dbraw/zinc/48/96/21/587489621.db2.gz SDYMRVICBCCTHK-PBKGFPTLSA-N 1 2 237.278 1.251 20 0 BDADLO CC[S@](C)(=O)=NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829868047 587525964 /nfs/dbraw/zinc/52/59/64/587525964.db2.gz ZXBBFJWKRJFITP-JFDDCEBESA-N 1 2 241.316 1.078 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000829948906 587529584 /nfs/dbraw/zinc/52/95/84/587529584.db2.gz KWAIOBTYHVOMGU-RJCSOLBVSA-N 1 2 233.315 1.670 20 0 BDADLO CCCC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000830127589 587537307 /nfs/dbraw/zinc/53/73/07/587537307.db2.gz WAHHORHEXKZGRV-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000830213031 587541888 /nfs/dbraw/zinc/54/18/88/587541888.db2.gz XZOIOUVJDBPRCU-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO CCS(=O)(=O)CC[N@H+]1CCC[C@](C)(F)C1 ZINC000830213031 587541889 /nfs/dbraw/zinc/54/18/89/587541889.db2.gz XZOIOUVJDBPRCU-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000830657687 587562623 /nfs/dbraw/zinc/56/26/23/587562623.db2.gz FYQWTVRSTDPHSP-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)C2(F)CC2)c1 ZINC000830758499 587568310 /nfs/dbraw/zinc/56/83/10/587568310.db2.gz HYADIUYZKLVQIX-UHFFFAOYSA-N 1 2 239.246 1.944 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1(OC)CC1 ZINC000830826111 587572618 /nfs/dbraw/zinc/57/26/18/587572618.db2.gz ZJBLIKDEJFWZKR-UHFFFAOYSA-N 1 2 237.255 1.312 20 0 BDADLO COC1(C(=O)OCc2ccc(C)[nH+]c2C)CC1 ZINC000830832272 587572952 /nfs/dbraw/zinc/57/29/52/587572952.db2.gz GNHBTJCAROTALW-UHFFFAOYSA-N 1 2 235.283 1.921 20 0 BDADLO Cc1ccc(NC(=O)[C@H](O)C2CC2)c(N(C)C)[nH+]1 ZINC000830890937 587575030 /nfs/dbraw/zinc/57/50/30/587575030.db2.gz SZOAAQKUDFLBGK-LLVKDONJSA-N 1 2 249.314 1.165 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)OC1CCCC1 ZINC000831157990 587587937 /nfs/dbraw/zinc/58/79/37/587587937.db2.gz BIYWKMLKDPNMSH-JTQLQIEISA-N 1 2 249.314 1.867 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC1CC=CC1 ZINC000831432824 587606447 /nfs/dbraw/zinc/60/64/47/587606447.db2.gz GOYSCMHPOVSKAP-UHFFFAOYSA-N 1 2 247.342 1.825 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000831483299 587612718 /nfs/dbraw/zinc/61/27/18/587612718.db2.gz VQJBJZPMAOSDBL-SNVBAGLBSA-N 1 2 219.288 1.211 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC000831507891 587615271 /nfs/dbraw/zinc/61/52/71/587615271.db2.gz FQFBBRWYZXIIRH-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831607472 587623587 /nfs/dbraw/zinc/62/35/87/587623587.db2.gz PVJWZJHJIIOJDB-MRVPVSSYSA-N 1 2 231.259 1.110 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758995 587630097 /nfs/dbraw/zinc/63/00/97/587630097.db2.gz GYMONBJZYLMULR-BQBZGAKWSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758995 587630098 /nfs/dbraw/zinc/63/00/98/587630098.db2.gz GYMONBJZYLMULR-BQBZGAKWSA-N 1 2 237.130 1.001 20 0 BDADLO CCC(F)(F)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000831972274 587640249 /nfs/dbraw/zinc/64/02/49/587640249.db2.gz CZPHSDAVTUEKSZ-UHFFFAOYSA-N 1 2 243.257 1.579 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000832355651 587655700 /nfs/dbraw/zinc/65/57/00/587655700.db2.gz RGHOWVZVEATKFR-YAEJEKNGSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000832653777 587673896 /nfs/dbraw/zinc/67/38/96/587673896.db2.gz CIXSSRTWNOFARL-MXWKQRLJSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000832653777 587673897 /nfs/dbraw/zinc/67/38/97/587673897.db2.gz CIXSSRTWNOFARL-MXWKQRLJSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832655607 587674073 /nfs/dbraw/zinc/67/40/73/587674073.db2.gz RNAJOFCYQRFORY-RKDXNWHRSA-N 1 2 207.277 1.257 20 0 BDADLO CCC[C@H](O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000832668978 587676188 /nfs/dbraw/zinc/67/61/88/587676188.db2.gz VEUDEMWHTLPYMK-NSHDSACASA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@H](O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000832668978 587676190 /nfs/dbraw/zinc/67/61/90/587676190.db2.gz VEUDEMWHTLPYMK-NSHDSACASA-N 1 2 239.319 1.010 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000833277426 587703857 /nfs/dbraw/zinc/70/38/57/587703857.db2.gz CHKFCTYFGGEJMP-VWYCJHECSA-N 1 2 233.315 1.880 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000833271835 587703980 /nfs/dbraw/zinc/70/39/80/587703980.db2.gz JEJSUWKOBYVMSF-SNVBAGLBSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000834370741 587753353 /nfs/dbraw/zinc/75/33/53/587753353.db2.gz DKBIAPRMWNCXDV-GARJFASQSA-N 1 2 249.314 1.026 20 0 BDADLO C=CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000834395157 587754176 /nfs/dbraw/zinc/75/41/76/587754176.db2.gz UOGOCALUXDOIQL-UHFFFAOYSA-N 1 2 241.294 1.734 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000835348779 587797817 /nfs/dbraw/zinc/79/78/17/587797817.db2.gz BRHWRMCKQAUEFH-SSDOTTSWSA-N 1 2 216.187 1.082 20 0 BDADLO O=C(NCC1CCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000836215219 587828655 /nfs/dbraw/zinc/82/86/55/587828655.db2.gz AHYHAZJUIJCCSS-JTQLQIEISA-N 1 2 234.303 1.427 20 0 BDADLO O=C(NCCC1CCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000836354349 587831644 /nfs/dbraw/zinc/83/16/44/587831644.db2.gz XSACKRMKYBDTIK-NSHDSACASA-N 1 2 248.330 1.817 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000836375386 587832068 /nfs/dbraw/zinc/83/20/68/587832068.db2.gz XJFVHEFODMTDLO-ONGXEEELSA-N 1 2 248.330 1.816 20 0 BDADLO CC1(C)CCCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836523460 587834548 /nfs/dbraw/zinc/83/45/48/587834548.db2.gz NXCPVNJZENRYGL-JTQLQIEISA-N 1 2 248.330 1.912 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)[C@H]1C ZINC000836515953 587834682 /nfs/dbraw/zinc/83/46/82/587834682.db2.gz GMYZQMPUMILUIW-VWYCJHECSA-N 1 2 248.330 1.768 20 0 BDADLO Cc1conc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000867179458 587834719 /nfs/dbraw/zinc/83/47/19/587834719.db2.gz BMPYXXCIWXTZHP-VIFPVBQESA-N 1 2 246.270 1.683 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C(=O)C(C)(C)C)c2[nH+]ccn21 ZINC000836952567 587843671 /nfs/dbraw/zinc/84/36/71/587843671.db2.gz BOGBBDKINDVCTF-DTWKUNHWSA-N 1 2 249.314 1.620 20 0 BDADLO CCc1n[nH]cc1C(=O)OCCc1c[nH+]cn1C ZINC000837426504 587871976 /nfs/dbraw/zinc/87/19/76/587871976.db2.gz HQXSEGMQKZWMET-UHFFFAOYSA-N 1 2 248.286 1.105 20 0 BDADLO CCC[C@H](OC)C(=O)OCCCn1cc[nH+]c1 ZINC000837795818 587895745 /nfs/dbraw/zinc/89/57/45/587895745.db2.gz CQLHSECMVMPKLQ-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO CCc1ncc(C[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000840952996 587931903 /nfs/dbraw/zinc/93/19/03/587931903.db2.gz KEQMGSRFTMSBQS-UHFFFAOYSA-N 1 2 235.331 1.242 20 0 BDADLO C[NH+](C)C1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000841454548 587954963 /nfs/dbraw/zinc/95/49/63/587954963.db2.gz CCFLHFQUONPVIV-ZCFIWIBFSA-N 1 2 242.216 1.097 20 0 BDADLO C[NH+](C)C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC000841454548 587954966 /nfs/dbraw/zinc/95/49/66/587954966.db2.gz CCFLHFQUONPVIV-ZCFIWIBFSA-N 1 2 242.216 1.097 20 0 BDADLO C[NH+](C)C1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000841454547 587955376 /nfs/dbraw/zinc/95/53/76/587955376.db2.gz CCFLHFQUONPVIV-LURJTMIESA-N 1 2 242.216 1.097 20 0 BDADLO C[NH+](C)C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC000841454547 587955377 /nfs/dbraw/zinc/95/53/77/587955377.db2.gz CCFLHFQUONPVIV-LURJTMIESA-N 1 2 242.216 1.097 20 0 BDADLO CCc1nn(C[N@H+](C)CC(C)C)c(=O)n1CC ZINC000842595225 588044609 /nfs/dbraw/zinc/04/46/09/588044609.db2.gz TYMBNDYQLWXLEM-UHFFFAOYSA-N 1 2 240.351 1.172 20 0 BDADLO CCc1nn(C[N@@H+](C)CC(C)C)c(=O)n1CC ZINC000842595225 588044610 /nfs/dbraw/zinc/04/46/10/588044610.db2.gz TYMBNDYQLWXLEM-UHFFFAOYSA-N 1 2 240.351 1.172 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000842609519 588045191 /nfs/dbraw/zinc/04/51/91/588045191.db2.gz DRDYKOQUSYGMSG-SNVBAGLBSA-N 1 2 242.344 1.367 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000842609519 588045192 /nfs/dbraw/zinc/04/51/92/588045192.db2.gz DRDYKOQUSYGMSG-SNVBAGLBSA-N 1 2 242.344 1.367 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC1=CCCC1 ZINC000842647728 588047998 /nfs/dbraw/zinc/04/79/98/588047998.db2.gz CLAXIRMLUZLWPO-UHFFFAOYSA-N 1 2 239.319 1.510 20 0 BDADLO C[N@@H+]1CCO[C@H](CSC[Si](C)(C)C)C1 ZINC000842652811 588049219 /nfs/dbraw/zinc/04/92/19/588049219.db2.gz BRVJJGYGPCKHFU-JTQLQIEISA-N 1 2 233.453 1.928 20 0 BDADLO C[N@H+]1CCO[C@H](CSC[Si](C)(C)C)C1 ZINC000842652811 588049222 /nfs/dbraw/zinc/04/92/22/588049222.db2.gz BRVJJGYGPCKHFU-JTQLQIEISA-N 1 2 233.453 1.928 20 0 BDADLO C[N@@H+]1CCO[C@@H](CSC[Si](C)(C)C)C1 ZINC000842652812 588049521 /nfs/dbraw/zinc/04/95/21/588049521.db2.gz BRVJJGYGPCKHFU-SNVBAGLBSA-N 1 2 233.453 1.928 20 0 BDADLO C[N@H+]1CCO[C@@H](CSC[Si](C)(C)C)C1 ZINC000842652812 588049523 /nfs/dbraw/zinc/04/95/23/588049523.db2.gz BRVJJGYGPCKHFU-SNVBAGLBSA-N 1 2 233.453 1.928 20 0 BDADLO CSCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842656668 588050009 /nfs/dbraw/zinc/05/00/09/588050009.db2.gz OKESBZMSVMHAJV-SECBINFHSA-N 1 2 248.348 1.043 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC1CCCC1 ZINC000842687021 588052131 /nfs/dbraw/zinc/05/21/31/588052131.db2.gz NOBKCKKRJWNSHB-VWYCJHECSA-N 1 2 241.331 1.628 20 0 BDADLO COc1ncncc1CNc1c[nH+]cc(C)c1 ZINC000842693261 588052712 /nfs/dbraw/zinc/05/27/12/588052712.db2.gz OTCHJMZGNIAHAO-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@@H]2CC[C@@H](C)O2)n1 ZINC000843144892 588086576 /nfs/dbraw/zinc/08/65/76/588086576.db2.gz NDFHYNOPKFUPAS-ZJUUUORDSA-N 1 2 239.319 1.679 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)nn1 ZINC000843429126 588108413 /nfs/dbraw/zinc/10/84/13/588108413.db2.gz VTYNXCYVDSICDZ-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)nn1 ZINC000843429126 588108414 /nfs/dbraw/zinc/10/84/14/588108414.db2.gz VTYNXCYVDSICDZ-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1(F)CC1 ZINC000843833071 588143718 /nfs/dbraw/zinc/14/37/18/588143718.db2.gz OYPRZFMLEQKOLK-UHFFFAOYSA-N 1 2 225.267 1.234 20 0 BDADLO CCC/C=C\C(=O)NCc1c[nH+]c(C)nc1N ZINC000843884524 588147711 /nfs/dbraw/zinc/14/77/11/588147711.db2.gz SNBCRGXURDONLK-WAYWQWQTSA-N 1 2 234.303 1.340 20 0 BDADLO CON(C)Cc1cc(OC(C)C)cc[nH+]1 ZINC000844273474 588178852 /nfs/dbraw/zinc/17/88/52/588178852.db2.gz GLZOOBLIUHOVIG-UHFFFAOYSA-N 1 2 210.277 1.862 20 0 BDADLO COC/C(C)=C\C(=O)Nc1ccc[nH+]c1N(C)C ZINC000844327078 588184742 /nfs/dbraw/zinc/18/47/42/588184742.db2.gz MJSBQBIEZPPBCJ-NTMALXAHSA-N 1 2 249.314 1.679 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000844537990 588201080 /nfs/dbraw/zinc/20/10/80/588201080.db2.gz TUYUXWIRKVVZOC-STQMWFEESA-N 1 2 247.342 1.863 20 0 BDADLO Cc1ncoc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844542981 588201659 /nfs/dbraw/zinc/20/16/59/588201659.db2.gz GVINYPITAUDXCZ-VIFPVBQESA-N 1 2 249.270 1.874 20 0 BDADLO Cc1nn(C[NH+]2CCCCCCC2)c(=O)n1C ZINC000844676888 588213095 /nfs/dbraw/zinc/21/30/95/588213095.db2.gz HJSCEZKVSZXTBA-UHFFFAOYSA-N 1 2 238.335 1.114 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@@H](C)CC2=O)[C@@H](C)CO1 ZINC000844728473 588215343 /nfs/dbraw/zinc/21/53/43/588215343.db2.gz IITUZNHRFAMWCL-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@@H](C)CC2=O)[C@@H](C)CO1 ZINC000844728473 588215344 /nfs/dbraw/zinc/21/53/44/588215344.db2.gz IITUZNHRFAMWCL-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844755695 588216167 /nfs/dbraw/zinc/21/61/67/588216167.db2.gz WPAHCDCRFISJLZ-XHNCKOQMSA-N 1 2 230.258 1.009 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844755695 588216168 /nfs/dbraw/zinc/21/61/68/588216168.db2.gz WPAHCDCRFISJLZ-XHNCKOQMSA-N 1 2 230.258 1.009 20 0 BDADLO O=c1sccn1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844756895 588216226 /nfs/dbraw/zinc/21/62/26/588216226.db2.gz HUHAJFYPGFVQII-VIFPVBQESA-N 1 2 246.282 1.598 20 0 BDADLO O=c1sccn1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844756895 588216227 /nfs/dbraw/zinc/21/62/27/588216227.db2.gz HUHAJFYPGFVQII-VIFPVBQESA-N 1 2 246.282 1.598 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C(=O)[C@H]1C ZINC000844754641 588216342 /nfs/dbraw/zinc/21/63/42/588216342.db2.gz DYADRVGMRCPDRF-RGOKHQFPSA-N 1 2 244.285 1.255 20 0 BDADLO C[C@@H]1CN(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C(=O)[C@H]1C ZINC000844754641 588216343 /nfs/dbraw/zinc/21/63/43/588216343.db2.gz DYADRVGMRCPDRF-RGOKHQFPSA-N 1 2 244.285 1.255 20 0 BDADLO Cc1cc(COC(=O)C[C@H](C)n2cc[nH+]c2)on1 ZINC000845277597 588225168 /nfs/dbraw/zinc/22/51/68/588225168.db2.gz IIEPUPGEIKJOAL-JTQLQIEISA-N 1 2 249.270 1.874 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278104 588225265 /nfs/dbraw/zinc/22/52/65/588225265.db2.gz LRKTVAKWMDIPEY-PSASIEDQSA-N 1 2 224.260 1.355 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845281249 588225387 /nfs/dbraw/zinc/22/53/87/588225387.db2.gz JLJXMMIKNJHJGK-UWVGGRQHSA-N 1 2 238.287 1.745 20 0 BDADLO COCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845282059 588225444 /nfs/dbraw/zinc/22/54/44/588225444.db2.gz LWVRHINSMKKRKR-JTQLQIEISA-N 1 2 226.276 1.414 20 0 BDADLO C[C@H](CC(=O)O[C@H]1CCOC1)n1cc[nH+]c1 ZINC000845284590 588225642 /nfs/dbraw/zinc/22/56/42/588225642.db2.gz BWULCBFGYJNSMS-ZJUUUORDSA-N 1 2 224.260 1.166 20 0 BDADLO Cc1nnc(COC(=O)C[C@H](C)n2cc[nH+]c2)[nH]1 ZINC000845286243 588225767 /nfs/dbraw/zinc/22/57/67/588225767.db2.gz OXLWYEWFASVIOG-QMMMGPOBSA-N 1 2 249.274 1.004 20 0 BDADLO Cc1nc(COC(=O)C[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC000845286243 588225768 /nfs/dbraw/zinc/22/57/68/588225768.db2.gz OXLWYEWFASVIOG-QMMMGPOBSA-N 1 2 249.274 1.004 20 0 BDADLO C[C@@H](CC(=O)OCCC(C)(C)O)n1cc[nH+]c1 ZINC000845283613 588225895 /nfs/dbraw/zinc/22/58/95/588225895.db2.gz FHBYFHXNEVDWJJ-JTQLQIEISA-N 1 2 240.303 1.538 20 0 BDADLO COCC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284067 588225943 /nfs/dbraw/zinc/22/59/43/588225943.db2.gz KCUMALUQGFWEHN-GHMZBOCLSA-N 1 2 240.303 1.802 20 0 BDADLO C[C@H](CC(=O)O[C@@H]1CCO[C@H]1C)n1cc[nH+]c1 ZINC000845521550 588231827 /nfs/dbraw/zinc/23/18/27/588231827.db2.gz ZJLVKXOXMMPFLP-OUAUKWLOSA-N 1 2 238.287 1.555 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cnccn1 ZINC000846028158 588254095 /nfs/dbraw/zinc/25/40/95/588254095.db2.gz XRYPPEXEMDYUGZ-OLZOCXBDSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cnccn1 ZINC000846028158 588254096 /nfs/dbraw/zinc/25/40/96/588254096.db2.gz XRYPPEXEMDYUGZ-OLZOCXBDSA-N 1 2 235.331 1.866 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000846091470 588256283 /nfs/dbraw/zinc/25/62/83/588256283.db2.gz MOGCDINXLLNOAB-ZJUUUORDSA-N 1 2 246.376 1.174 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000846090463 588256403 /nfs/dbraw/zinc/25/64/03/588256403.db2.gz AYUHNJNTQIKUQG-QWRGUYRKSA-N 1 2 230.352 1.859 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)no1 ZINC000846114211 588257650 /nfs/dbraw/zinc/25/76/50/588257650.db2.gz STMANRHWALUZDX-AOOOYVTPSA-N 1 2 244.241 1.518 20 0 BDADLO COCc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)no1 ZINC000846114211 588257651 /nfs/dbraw/zinc/25/76/51/588257651.db2.gz STMANRHWALUZDX-AOOOYVTPSA-N 1 2 244.241 1.518 20 0 BDADLO CC(C)(NC(=O)c1cccc(F)n1)c1[nH]cc[nH+]1 ZINC000846245282 588262415 /nfs/dbraw/zinc/26/24/15/588262415.db2.gz SWHUPBLYPMOGNZ-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO CC(C)(C)[C@@H](O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244603 588262510 /nfs/dbraw/zinc/26/25/10/588262510.db2.gz LGAQAQKKFKPOSL-QMMMGPOBSA-N 1 2 239.319 1.168 20 0 BDADLO CCCCc1ccc(N2C(=O)C[C@H]([NH3+])C2=O)cc1 ZINC000846702886 588283601 /nfs/dbraw/zinc/28/36/01/588283601.db2.gz QMISSOMTDKSTGM-LBPRGKRZSA-N 1 2 246.310 1.620 20 0 BDADLO COC1CC[NH+](Cc2cnsn2)CC1 ZINC000846758910 588286315 /nfs/dbraw/zinc/28/63/15/588286315.db2.gz JNUVIKORJDOJBJ-UHFFFAOYSA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846803239 588289294 /nfs/dbraw/zinc/28/92/94/588289294.db2.gz BQRNONCBIYBJIY-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846803239 588289295 /nfs/dbraw/zinc/28/92/95/588289295.db2.gz BQRNONCBIYBJIY-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CC(C)C[C@H](CO)[N@H+](C)Cc1cnsn1 ZINC000846860113 588293654 /nfs/dbraw/zinc/29/36/54/588293654.db2.gz GCVZGIDKCFBMDX-SNVBAGLBSA-N 1 2 229.349 1.377 20 0 BDADLO CC(C)C[C@H](CO)[N@@H+](C)Cc1cnsn1 ZINC000846860113 588293655 /nfs/dbraw/zinc/29/36/55/588293655.db2.gz GCVZGIDKCFBMDX-SNVBAGLBSA-N 1 2 229.349 1.377 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cnsn1 ZINC000846867507 588294426 /nfs/dbraw/zinc/29/44/26/588294426.db2.gz BHVHKULICGGSLW-YWVKMMECSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cnsn1 ZINC000846867507 588294427 /nfs/dbraw/zinc/29/44/27/588294427.db2.gz BHVHKULICGGSLW-YWVKMMECSA-N 1 2 241.360 1.519 20 0 BDADLO CC(C)C1(O)C[NH+](CC2(Br)CC2)C1 ZINC000846880787 588295116 /nfs/dbraw/zinc/29/51/16/588295116.db2.gz YONQJNNQSMESEA-UHFFFAOYSA-N 1 2 248.164 1.617 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnsn2)CCCO1 ZINC000846889629 588295483 /nfs/dbraw/zinc/29/54/83/588295483.db2.gz PGFUJWFOUWGRFY-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnsn2)CCCO1 ZINC000846889629 588295484 /nfs/dbraw/zinc/29/54/84/588295484.db2.gz PGFUJWFOUWGRFY-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnsn2)CCCO1 ZINC000846928039 588297033 /nfs/dbraw/zinc/29/70/33/588297033.db2.gz YGFAFULHTWUJBT-LLVKDONJSA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnsn2)CCCO1 ZINC000846928039 588297034 /nfs/dbraw/zinc/29/70/34/588297034.db2.gz YGFAFULHTWUJBT-LLVKDONJSA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)c1ncc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000846952206 588298291 /nfs/dbraw/zinc/29/82/91/588298291.db2.gz XJZSKUDYAQLRFQ-UHFFFAOYSA-N 1 2 245.286 1.504 20 0 BDADLO CON1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000846972869 588298708 /nfs/dbraw/zinc/29/87/08/588298708.db2.gz SSUCJLKYYBAJQX-NSHDSACASA-N 1 2 221.304 1.322 20 0 BDADLO CCOC(CN(CC)Cc1[nH]cc[nH+]1)OCC ZINC000846971506 588298979 /nfs/dbraw/zinc/29/89/79/588298979.db2.gz PHSZLMGUVZGSAD-UHFFFAOYSA-N 1 2 241.335 1.631 20 0 BDADLO CCOC(C[N@H+](CC)Cc1ncc[nH]1)OCC ZINC000846971506 588298980 /nfs/dbraw/zinc/29/89/80/588298980.db2.gz PHSZLMGUVZGSAD-UHFFFAOYSA-N 1 2 241.335 1.631 20 0 BDADLO CCOC(C[N@@H+](CC)Cc1ncc[nH]1)OCC ZINC000846971506 588298981 /nfs/dbraw/zinc/29/89/81/588298981.db2.gz PHSZLMGUVZGSAD-UHFFFAOYSA-N 1 2 241.335 1.631 20 0 BDADLO CON1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000846972868 588299077 /nfs/dbraw/zinc/29/90/77/588299077.db2.gz SSUCJLKYYBAJQX-LLVKDONJSA-N 1 2 221.304 1.322 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000846985214 588300402 /nfs/dbraw/zinc/30/04/02/588300402.db2.gz ROERJPPKAXKEPJ-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846985214 588300403 /nfs/dbraw/zinc/30/04/03/588300403.db2.gz ROERJPPKAXKEPJ-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cnsn1 ZINC000846998575 588300922 /nfs/dbraw/zinc/30/09/22/588300922.db2.gz YGDBCIZSACCIPO-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cnsn1 ZINC000846998575 588300923 /nfs/dbraw/zinc/30/09/23/588300923.db2.gz YGDBCIZSACCIPO-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO CC(=O)CC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847057184 588305109 /nfs/dbraw/zinc/30/51/09/588305109.db2.gz LSTXWHHOVIDOAU-QMMMGPOBSA-N 1 2 211.265 1.350 20 0 BDADLO CC(=O)CC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847057184 588305110 /nfs/dbraw/zinc/30/51/10/588305110.db2.gz LSTXWHHOVIDOAU-QMMMGPOBSA-N 1 2 211.265 1.350 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@@H](O)C1CC1 ZINC000847057326 588305239 /nfs/dbraw/zinc/30/52/39/588305239.db2.gz CRKHUANBXJWWFP-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)nc1 ZINC000847588224 588317904 /nfs/dbraw/zinc/31/79/04/588317904.db2.gz XDKXHLCPZWFGAI-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)nc1 ZINC000847588224 588317905 /nfs/dbraw/zinc/31/79/05/588317905.db2.gz XDKXHLCPZWFGAI-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC=CO1 ZINC000847843325 588336438 /nfs/dbraw/zinc/33/64/38/588336438.db2.gz AZRSNINUXLTCLB-JQWIXIFHSA-N 1 2 249.314 1.397 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC=CO1 ZINC000847843325 588336440 /nfs/dbraw/zinc/33/64/40/588336440.db2.gz AZRSNINUXLTCLB-JQWIXIFHSA-N 1 2 249.314 1.397 20 0 BDADLO C/C=C/C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000848096738 588355717 /nfs/dbraw/zinc/35/57/17/588355717.db2.gz HFLLRLWTTRIPSI-NSCUHMNNSA-N 1 2 246.301 1.656 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOC1CCC1 ZINC000848163370 588363038 /nfs/dbraw/zinc/36/30/38/588363038.db2.gz ZPGVRIKPVJVJBN-QMMMGPOBSA-N 1 2 223.276 1.189 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOC1CCC1 ZINC000848163370 588363040 /nfs/dbraw/zinc/36/30/40/588363040.db2.gz ZPGVRIKPVJVJBN-QMMMGPOBSA-N 1 2 223.276 1.189 20 0 BDADLO C/C=C(/C)C(=O)NCc1[nH+]ccn1CC ZINC000848174481 588364984 /nfs/dbraw/zinc/36/49/84/588364984.db2.gz LEXKTBLZRYWULS-WTKPLQERSA-N 1 2 207.277 1.485 20 0 BDADLO Cn1c(Cl)ncc1C[NH2+]Cc1nccs1 ZINC000848530469 588393500 /nfs/dbraw/zinc/39/35/00/588393500.db2.gz HIBLTEZZHFEVAX-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CCC=CO1 ZINC000848686886 588405811 /nfs/dbraw/zinc/40/58/11/588405811.db2.gz LTZLBTJONQEITM-MRVPVSSYSA-N 1 2 236.275 1.172 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CCC=CO1 ZINC000848686886 588405812 /nfs/dbraw/zinc/40/58/12/588405812.db2.gz LTZLBTJONQEITM-MRVPVSSYSA-N 1 2 236.275 1.172 20 0 BDADLO O=C1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CO1 ZINC000848709395 588407031 /nfs/dbraw/zinc/40/70/31/588407031.db2.gz QCMMUJOLDYYSCZ-QMMMGPOBSA-N 1 2 219.244 1.081 20 0 BDADLO CCCCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000849139653 588454604 /nfs/dbraw/zinc/45/46/04/588454604.db2.gz HEDVKOLKGAKMNN-GFCCVEGCSA-N 1 2 238.335 1.519 20 0 BDADLO CCC(CC)C(=O)OCC[NH+]1CCOCC1 ZINC000849168634 588459164 /nfs/dbraw/zinc/45/91/64/588459164.db2.gz YNZJHHAWHILTMS-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000849395416 588476460 /nfs/dbraw/zinc/47/64/60/588476460.db2.gz VRCPKZFUMCCWSH-VHSXEESVSA-N 1 2 234.303 1.379 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC2CCC2)C1 ZINC000849734582 588491418 /nfs/dbraw/zinc/49/14/18/588491418.db2.gz LNDKGHJDYRDVBA-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCC2CCC2)C1 ZINC000849734582 588491420 /nfs/dbraw/zinc/49/14/20/588491420.db2.gz LNDKGHJDYRDVBA-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC2CCC2)C1 ZINC000849734581 588491654 /nfs/dbraw/zinc/49/16/54/588491654.db2.gz LNDKGHJDYRDVBA-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC2CCC2)C1 ZINC000849734581 588491655 /nfs/dbraw/zinc/49/16/55/588491655.db2.gz LNDKGHJDYRDVBA-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO COc1ccc(NCc2[nH]cc(C)[nH+]2)cc1CO ZINC000850208622 588528851 /nfs/dbraw/zinc/52/88/51/588528851.db2.gz VKHRWEYYBPSVPN-UHFFFAOYSA-N 1 2 247.298 1.831 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)[nH]1 ZINC000850513750 588556033 /nfs/dbraw/zinc/55/60/33/588556033.db2.gz BRTLDXCGSJNRLK-NXEZZACHSA-N 1 2 236.319 1.229 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)n2)C[C@H](C)O1 ZINC000851713081 588615611 /nfs/dbraw/zinc/61/56/11/588615611.db2.gz XRTYDXBMTBAFRZ-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)n2)C[C@H](C)O1 ZINC000851713081 588615612 /nfs/dbraw/zinc/61/56/12/588615612.db2.gz XRTYDXBMTBAFRZ-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)C[N@H+](CC=C(Cl)Cl)CC(N)=O ZINC000851726303 588618075 /nfs/dbraw/zinc/61/80/75/588618075.db2.gz NURLQFVZGAVLST-UHFFFAOYSA-N 1 2 239.146 1.749 20 0 BDADLO CC(C)C[N@@H+](CC=C(Cl)Cl)CC(N)=O ZINC000851726303 588618076 /nfs/dbraw/zinc/61/80/76/588618076.db2.gz NURLQFVZGAVLST-UHFFFAOYSA-N 1 2 239.146 1.749 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2COC(C)(C)O2)no1 ZINC000851726455 588618272 /nfs/dbraw/zinc/61/82/72/588618272.db2.gz PISOPHQWFUBPRP-NSHDSACASA-N 1 2 240.303 1.566 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2COC(C)(C)O2)no1 ZINC000851726455 588618273 /nfs/dbraw/zinc/61/82/73/588618273.db2.gz PISOPHQWFUBPRP-NSHDSACASA-N 1 2 240.303 1.566 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)O1 ZINC000851731944 588619476 /nfs/dbraw/zinc/61/94/76/588619476.db2.gz DQWKOVHZELIXJT-GHMZBOCLSA-N 1 2 249.314 1.295 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)O1 ZINC000851731944 588619477 /nfs/dbraw/zinc/61/94/77/588619477.db2.gz DQWKOVHZELIXJT-GHMZBOCLSA-N 1 2 249.314 1.295 20 0 BDADLO C[N@H+](CCOC(F)F)Cc1cscn1 ZINC000851735527 588620282 /nfs/dbraw/zinc/62/02/82/588620282.db2.gz WQOUNEUWAFENPW-UHFFFAOYSA-N 1 2 222.260 1.814 20 0 BDADLO C[N@@H+](CCOC(F)F)Cc1cscn1 ZINC000851735527 588620283 /nfs/dbraw/zinc/62/02/83/588620283.db2.gz WQOUNEUWAFENPW-UHFFFAOYSA-N 1 2 222.260 1.814 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1COC(C)(C)O1 ZINC000851737896 588621092 /nfs/dbraw/zinc/62/10/92/588621092.db2.gz QMLFDLGMRAROEY-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1COC(C)(C)O1 ZINC000851737896 588621093 /nfs/dbraw/zinc/62/10/93/588621093.db2.gz QMLFDLGMRAROEY-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cnon2)CC1 ZINC000851763409 588624618 /nfs/dbraw/zinc/62/46/18/588624618.db2.gz SKZUJYQOFUETNQ-UHFFFAOYSA-N 1 2 225.292 1.459 20 0 BDADLO C[N@H+](Cc1cnon1)[C@@H](CCO)c1ccccc1 ZINC000851786881 588628631 /nfs/dbraw/zinc/62/86/31/588628631.db2.gz HFRLFIHKXGUPPV-ZDUSSCGKSA-N 1 2 247.298 1.625 20 0 BDADLO C[N@@H+](Cc1cnon1)[C@@H](CCO)c1ccccc1 ZINC000851786881 588628632 /nfs/dbraw/zinc/62/86/32/588628632.db2.gz HFRLFIHKXGUPPV-ZDUSSCGKSA-N 1 2 247.298 1.625 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnon2)CCS1 ZINC000851791646 588629129 /nfs/dbraw/zinc/62/91/29/588629129.db2.gz DUZQEXVPRQTPPN-SNVBAGLBSA-N 1 2 227.333 1.643 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnon2)CCS1 ZINC000851791646 588629130 /nfs/dbraw/zinc/62/91/30/588629130.db2.gz DUZQEXVPRQTPPN-SNVBAGLBSA-N 1 2 227.333 1.643 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000851802224 588630542 /nfs/dbraw/zinc/63/05/42/588630542.db2.gz FTIQBENWLYBXOT-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000851802224 588630543 /nfs/dbraw/zinc/63/05/43/588630543.db2.gz FTIQBENWLYBXOT-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO CC(C)(C)OC1CC[NH+](Cc2cnon2)CC1 ZINC000851809459 588632089 /nfs/dbraw/zinc/63/20/89/588632089.db2.gz QDMGLXJODNFUFB-UHFFFAOYSA-N 1 2 239.319 1.849 20 0 BDADLO FC(F)OCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000851864237 588636178 /nfs/dbraw/zinc/63/61/78/588636178.db2.gz WKDFYRCIJQVIGT-UHFFFAOYSA-N 1 2 217.219 1.007 20 0 BDADLO FC(F)OCC[N@H+]1CCc2c[nH]nc2C1 ZINC000851864237 588636179 /nfs/dbraw/zinc/63/61/79/588636179.db2.gz WKDFYRCIJQVIGT-UHFFFAOYSA-N 1 2 217.219 1.007 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc2nonc2c1 ZINC000851873888 588637922 /nfs/dbraw/zinc/63/79/22/588637922.db2.gz SAQJNCICFPPWCK-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc2nonc2c1 ZINC000851873888 588637923 /nfs/dbraw/zinc/63/79/23/588637923.db2.gz SAQJNCICFPPWCK-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc2nonc2c1 ZINC000851873888 588637924 /nfs/dbraw/zinc/63/79/24/588637924.db2.gz SAQJNCICFPPWCK-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO CCCCOC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000851876057 588638027 /nfs/dbraw/zinc/63/80/27/588638027.db2.gz WMYRZITZQCMCGT-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1ccc2c(c1)OCO2 ZINC000851892923 588641428 /nfs/dbraw/zinc/64/14/28/588641428.db2.gz FZYRXSBRTVXQBP-QMMMGPOBSA-N 1 2 247.254 1.649 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000851953668 588647280 /nfs/dbraw/zinc/64/72/80/588647280.db2.gz CSCQWVAEESYYJV-GFCCVEGCSA-N 1 2 237.303 1.461 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000851953668 588647281 /nfs/dbraw/zinc/64/72/81/588647281.db2.gz CSCQWVAEESYYJV-GFCCVEGCSA-N 1 2 237.303 1.461 20 0 BDADLO ClC(Cl)=CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000851973694 588649976 /nfs/dbraw/zinc/64/99/76/588649976.db2.gz IBRPTXMGYWWRON-UHFFFAOYSA-N 1 2 233.102 1.482 20 0 BDADLO ClC(Cl)=CC[N@H+]1CCc2n[nH]nc2C1 ZINC000851973694 588649977 /nfs/dbraw/zinc/64/99/77/588649977.db2.gz IBRPTXMGYWWRON-UHFFFAOYSA-N 1 2 233.102 1.482 20 0 BDADLO C[C@@H]1C[NH+](CCOC(F)F)C[C@@H](C)S1=O ZINC000851980779 588651194 /nfs/dbraw/zinc/65/11/94/588651194.db2.gz WUGXCCOKUAUASI-HTQZYQBOSA-N 1 2 241.303 1.067 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cc(C3CC3)no2)C1 ZINC000851990977 588653010 /nfs/dbraw/zinc/65/30/10/588653010.db2.gz AVYFTASSLCCOBO-UHFFFAOYSA-N 1 2 236.315 1.755 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1C=CCC1 ZINC000851996457 588653660 /nfs/dbraw/zinc/65/36/60/588653660.db2.gz RAASJNHDJWWPLT-LBPRGKRZSA-N 1 2 248.330 1.681 20 0 BDADLO c1cc2c(o1)CCC[N@@H+](Cc1cnon1)C2 ZINC000852054203 588658010 /nfs/dbraw/zinc/65/80/10/588658010.db2.gz RQXNDUVLGFWTMM-UHFFFAOYSA-N 1 2 219.244 1.611 20 0 BDADLO c1cc2c(o1)CCC[N@H+](Cc1cnon1)C2 ZINC000852054203 588658011 /nfs/dbraw/zinc/65/80/11/588658011.db2.gz RQXNDUVLGFWTMM-UHFFFAOYSA-N 1 2 219.244 1.611 20 0 BDADLO C[C@@]1([NH2+]CCOCc2ccccc2)CCOC1=O ZINC000852062679 588658502 /nfs/dbraw/zinc/65/85/02/588658502.db2.gz KEEUHLJCVKRULB-CQSZACIVSA-N 1 2 249.310 1.498 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CCOC(F)F ZINC000852080364 588660709 /nfs/dbraw/zinc/66/07/09/588660709.db2.gz YUKCKMBDJDAOIY-UHFFFAOYSA-N 1 2 248.277 1.530 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CCOC(F)F ZINC000852080364 588660710 /nfs/dbraw/zinc/66/07/10/588660710.db2.gz YUKCKMBDJDAOIY-UHFFFAOYSA-N 1 2 248.277 1.530 20 0 BDADLO C[Si](C)(C)C[NH2+][C@@H](CCO)C(F)(F)F ZINC000852085721 588661039 /nfs/dbraw/zinc/66/10/39/588661039.db2.gz XNYAGGUVYKBMEI-ZETCQYMHSA-N 1 2 229.318 1.767 20 0 BDADLO CC(C)[N@H+](Cc1cccc(F)n1)C1COC1 ZINC000852097480 588662229 /nfs/dbraw/zinc/66/22/29/588662229.db2.gz WVVVUMPQZUNXAB-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)[N@@H+](Cc1cccc(F)n1)C1COC1 ZINC000852097480 588662230 /nfs/dbraw/zinc/66/22/30/588662230.db2.gz WVVVUMPQZUNXAB-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000852148477 588667106 /nfs/dbraw/zinc/66/71/06/588667106.db2.gz YAWFDFNMSJGWKE-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1cnon1 ZINC000852148477 588667107 /nfs/dbraw/zinc/66/71/07/588667107.db2.gz YAWFDFNMSJGWKE-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccn(C)n1 ZINC000852160758 588668180 /nfs/dbraw/zinc/66/81/80/588668180.db2.gz ALAAHQLUIFFFTG-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)c1cccc(F)c1 ZINC000852284425 588675931 /nfs/dbraw/zinc/67/59/31/588675931.db2.gz LHVNGPINBVZWIA-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)c1cccc(F)c1 ZINC000852284425 588675932 /nfs/dbraw/zinc/67/59/32/588675932.db2.gz LHVNGPINBVZWIA-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C=CCC2)c2[nH+]ccn21 ZINC000852374889 588680385 /nfs/dbraw/zinc/68/03/85/588680385.db2.gz ZJEWOEYFVMUQKS-GMTAPVOTSA-N 1 2 246.314 1.907 20 0 BDADLO OCCCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000852413258 588681344 /nfs/dbraw/zinc/68/13/44/588681344.db2.gz RLXFOLGSCDEPTI-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000852413258 588681345 /nfs/dbraw/zinc/68/13/45/588681345.db2.gz RLXFOLGSCDEPTI-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO COCC[N@H+](CCF)Cc1cncc(OC)c1 ZINC000852479301 588683313 /nfs/dbraw/zinc/68/33/13/588683313.db2.gz BTJPVLCBTJVVJF-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO COCC[N@@H+](CCF)Cc1cncc(OC)c1 ZINC000852479301 588683314 /nfs/dbraw/zinc/68/33/14/588683314.db2.gz BTJPVLCBTJVVJF-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C/C=C\Cl ZINC000852632807 588693019 /nfs/dbraw/zinc/69/30/19/588693019.db2.gz IAKDXMLBOCZYJX-QZPNVGJNSA-N 1 2 247.722 1.393 20 0 BDADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C/C=C\Cl ZINC000852632807 588693020 /nfs/dbraw/zinc/69/30/20/588693020.db2.gz IAKDXMLBOCZYJX-QZPNVGJNSA-N 1 2 247.722 1.393 20 0 BDADLO CCC(=O)CC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000852689708 588696430 /nfs/dbraw/zinc/69/64/30/588696430.db2.gz IMGFTLPQFHDLFL-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO CCC(=O)CC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000852689708 588696431 /nfs/dbraw/zinc/69/64/31/588696431.db2.gz IMGFTLPQFHDLFL-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO CCn1cc(C(=O)OCc2c[nH+]cn2C)c(C)n1 ZINC000860575548 589106922 /nfs/dbraw/zinc/10/69/22/589106922.db2.gz FYELKOKCNWHTMH-UHFFFAOYSA-N 1 2 248.286 1.302 20 0 BDADLO CC(Cl)(Cl)C(=O)OCC[NH+]1CCC1 ZINC000861388811 589163198 /nfs/dbraw/zinc/16/31/98/589163198.db2.gz PIJCEZMJZZVJAX-UHFFFAOYSA-N 1 2 226.103 1.429 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CN1CCSC1=O ZINC000118382828 589169174 /nfs/dbraw/zinc/16/91/74/589169174.db2.gz NKAFEICHGCLTFE-BDAKNGLRSA-N 1 2 246.401 1.939 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1CN1CCSC1=O ZINC000118382828 589169175 /nfs/dbraw/zinc/16/91/75/589169175.db2.gz NKAFEICHGCLTFE-BDAKNGLRSA-N 1 2 246.401 1.939 20 0 BDADLO CCC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)OCC ZINC000862415879 589211596 /nfs/dbraw/zinc/21/15/96/589211596.db2.gz JXEIOWCVSFHPDK-JTQLQIEISA-N 1 2 239.319 1.274 20 0 BDADLO COC(=O)C1=CC[C@@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000862465816 589216777 /nfs/dbraw/zinc/21/67/77/589216777.db2.gz UVCSICPVBHKRQN-LLVKDONJSA-N 1 2 235.287 1.070 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CCCO3)cn1 ZINC000862484401 589217035 /nfs/dbraw/zinc/21/70/35/589217035.db2.gz NEFIYTGXTYRAKB-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1ncccc1Cl ZINC000863459394 589289800 /nfs/dbraw/zinc/28/98/00/589289800.db2.gz PEJAUXDJLITRFB-SSDOTTSWSA-N 1 2 243.694 1.768 20 0 BDADLO NC(CCO)=[NH+]OCc1ncccc1Cl ZINC000863467799 589290982 /nfs/dbraw/zinc/29/09/82/589290982.db2.gz LOEOMEQJQONYFT-UHFFFAOYSA-N 1 2 229.667 1.116 20 0 BDADLO COC1(C(N)=[NH+]OCc2ccno2)CCCC1 ZINC000863479421 589292744 /nfs/dbraw/zinc/29/27/44/589292744.db2.gz LMZSEWFJULFYNN-UHFFFAOYSA-N 1 2 239.275 1.632 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCOC12CCCC2 ZINC000890405392 589294473 /nfs/dbraw/zinc/29/44/73/589294473.db2.gz GSELCVUJSOYBGR-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCOC12CCCC2 ZINC000890405392 589294474 /nfs/dbraw/zinc/29/44/74/589294474.db2.gz GSELCVUJSOYBGR-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO CCC(F)(F)C[NH2+]CCC(=O)N(C)OC ZINC000863578245 589301274 /nfs/dbraw/zinc/30/12/74/589301274.db2.gz UQODWKARKVINTD-UHFFFAOYSA-N 1 2 224.251 1.031 20 0 BDADLO CC1([NH2+]Cc2nc(Br)c[nH]2)COC1 ZINC000864049904 589335250 /nfs/dbraw/zinc/33/52/50/589335250.db2.gz OCPLOJGDIICNSQ-UHFFFAOYSA-N 1 2 246.108 1.051 20 0 BDADLO CC1(CC(F)F)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864065967 589337823 /nfs/dbraw/zinc/33/78/23/589337823.db2.gz SKMPNCCWVXUZDW-UHFFFAOYSA-N 1 2 243.257 1.456 20 0 BDADLO CCC(C)(C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000864068666 589338187 /nfs/dbraw/zinc/33/81/87/589338187.db2.gz URVNCFDOTCTLJC-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO CCC(C)(C)[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000864068666 589338188 /nfs/dbraw/zinc/33/81/88/589338188.db2.gz URVNCFDOTCTLJC-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CCCS1 ZINC000864073517 589339712 /nfs/dbraw/zinc/33/97/12/589339712.db2.gz CVJYHYMQVLCOPU-JTQLQIEISA-N 1 2 239.344 1.354 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC[C@@H]1CCCS1 ZINC000864073517 589339714 /nfs/dbraw/zinc/33/97/14/589339714.db2.gz CVJYHYMQVLCOPU-JTQLQIEISA-N 1 2 239.344 1.354 20 0 BDADLO C[C@H](O)c1cccc(N2C[C@H]3COC[C@@]3(C)C2)[nH+]1 ZINC000864089602 589343019 /nfs/dbraw/zinc/34/30/19/589343019.db2.gz UWFAGMONFOKRKA-COPLHBTASA-N 1 2 248.326 1.608 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cccc([C@H](C)O)[nH+]2)C1 ZINC000864090641 589343403 /nfs/dbraw/zinc/34/34/03/589343403.db2.gz HUSIFOXSBSRPRZ-GARJFASQSA-N 1 2 236.315 1.972 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)C2(CO)CC2)[nH+]1 ZINC000864091475 589344083 /nfs/dbraw/zinc/34/40/83/589344083.db2.gz OOLBAGQCZPWEMD-NXEZZACHSA-N 1 2 236.315 1.708 20 0 BDADLO CC(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000864491844 589374377 /nfs/dbraw/zinc/37/43/77/589374377.db2.gz FHOAJSKWUAWVNS-ZDUSSCGKSA-N 1 2 232.327 1.945 20 0 BDADLO CC(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000864491844 589374379 /nfs/dbraw/zinc/37/43/79/589374379.db2.gz FHOAJSKWUAWVNS-ZDUSSCGKSA-N 1 2 232.327 1.945 20 0 BDADLO Cc1ccc(CN(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)o1 ZINC000864503259 589375058 /nfs/dbraw/zinc/37/50/58/589375058.db2.gz IDBIPHQSYLQBKL-NSHDSACASA-N 1 2 249.270 1.003 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000864883349 589399960 /nfs/dbraw/zinc/39/99/60/589399960.db2.gz AAMNVUYFNIKABT-OBPIAQAESA-N 1 2 247.342 1.680 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000865046544 589406330 /nfs/dbraw/zinc/40/63/30/589406330.db2.gz WWGYUEZRGCRGPG-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865046544 589406331 /nfs/dbraw/zinc/40/63/31/589406331.db2.gz WWGYUEZRGCRGPG-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO CC/C=C(/F)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000865122709 589409808 /nfs/dbraw/zinc/40/98/08/589409808.db2.gz GJPYFEKJMORVQU-NYYWCZLTSA-N 1 2 244.310 1.040 20 0 BDADLO COC/C=C\C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865139992 589410848 /nfs/dbraw/zinc/41/08/48/589410848.db2.gz AVFKKPOYVCZJFT-MZBZXASESA-N 1 2 249.314 1.318 20 0 BDADLO CCCn1cc(CNc2cc[nH+]cc2F)nn1 ZINC000865291713 589420503 /nfs/dbraw/zinc/42/05/03/589420503.db2.gz PMOZZBFVHVMTTL-UHFFFAOYSA-N 1 2 235.266 1.256 20 0 BDADLO Fc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000865509118 589442443 /nfs/dbraw/zinc/44/24/43/589442443.db2.gz OVCJAYCBOVDXCP-JTQLQIEISA-N 1 2 247.277 1.654 20 0 BDADLO Cn1ccc(CNCc2cn(C3CC3)c[nH+]2)n1 ZINC000865514877 589442897 /nfs/dbraw/zinc/44/28/97/589442897.db2.gz ITHVFAXAJCGRBH-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cn(C3CC3)cn2)n1 ZINC000865514877 589442898 /nfs/dbraw/zinc/44/28/98/589442898.db2.gz ITHVFAXAJCGRBH-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO CCCn1cc(CNc2[nH+]cccc2OC)nn1 ZINC000865512757 589442921 /nfs/dbraw/zinc/44/29/21/589442921.db2.gz DLCYPRZOGWWEBF-UHFFFAOYSA-N 1 2 247.302 1.704 20 0 BDADLO C[C@@H](CCO)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865547954 589445487 /nfs/dbraw/zinc/44/54/87/589445487.db2.gz QKQDDWKYNWVJIY-LURJTMIESA-N 1 2 240.694 1.216 20 0 BDADLO CCCNc1cc(N[C@@H]2C=C[C@H](CO)C2)nc[nH+]1 ZINC000865580326 589448722 /nfs/dbraw/zinc/44/87/22/589448722.db2.gz ATBATIATKYPUKS-WDEREUQCSA-N 1 2 248.330 1.647 20 0 BDADLO CCCNc1cc(N[C@@H]2C=C[C@H](CO)C2)[nH+]cn1 ZINC000865580326 589448723 /nfs/dbraw/zinc/44/87/23/589448723.db2.gz ATBATIATKYPUKS-WDEREUQCSA-N 1 2 248.330 1.647 20 0 BDADLO CCn1nc(C)c(C[NH2+]CC(C)(C)F)n1 ZINC000865653809 589454459 /nfs/dbraw/zinc/45/44/59/589454459.db2.gz ZXQPQXIYEILKIO-UHFFFAOYSA-N 1 2 214.288 1.444 20 0 BDADLO Cc1ccc(CNc2c[nH+]cc(N(C)C)c2)nn1 ZINC000865669036 589455548 /nfs/dbraw/zinc/45/55/48/589455548.db2.gz VSKGQMJDJOSFLP-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CCCNc1cc(N2C[C@H]3C[C@@]3(CO)C2)nc[nH+]1 ZINC000865710812 589458115 /nfs/dbraw/zinc/45/81/15/589458115.db2.gz DHYSVHVYLPDMCO-MFKMUULPSA-N 1 2 248.330 1.117 20 0 BDADLO CCCNc1cc(N2C[C@H]3C[C@@]3(CO)C2)[nH+]cn1 ZINC000865710812 589458116 /nfs/dbraw/zinc/45/81/16/589458116.db2.gz DHYSVHVYLPDMCO-MFKMUULPSA-N 1 2 248.330 1.117 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccnc(F)c1 ZINC000865722535 589458540 /nfs/dbraw/zinc/45/85/40/589458540.db2.gz JQHAPPIYSIXXCQ-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCCn1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)nn1 ZINC000865753929 589460998 /nfs/dbraw/zinc/46/09/98/589460998.db2.gz NEAFHBJBDRNLCK-RKDXNWHRSA-N 1 2 248.252 1.729 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2CC[C@H](C(N)=O)C2)[nH+]c1 ZINC000865865008 589465813 /nfs/dbraw/zinc/46/58/13/589465813.db2.gz LUDZJSRETRVZMJ-ATZCPNFKSA-N 1 2 249.314 1.201 20 0 BDADLO Cc1cc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)nc[nH+]1 ZINC000866044415 589473806 /nfs/dbraw/zinc/47/38/06/589473806.db2.gz QFCWQFCQBCJNHI-BSFRTMCYSA-N 1 2 231.299 1.620 20 0 BDADLO COC(=O)c1coc(CNc2cc(C)[nH+]cn2)c1 ZINC000866097881 589475782 /nfs/dbraw/zinc/47/57/82/589475782.db2.gz QANMCFOQTYDPHQ-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1C2CCCC1CCC2 ZINC000866101414 589476017 /nfs/dbraw/zinc/47/60/17/589476017.db2.gz VDTZIBFAPXJSIU-RTYFJBAXSA-N 1 2 249.314 1.377 20 0 BDADLO Cc1cc(N[C@@H](C)c2nnnn2C2CC2)nc[nH+]1 ZINC000866153558 589478079 /nfs/dbraw/zinc/47/80/79/589478079.db2.gz CQXQNBGBSOSKDP-QMMMGPOBSA-N 1 2 245.290 1.280 20 0 BDADLO Cc1nc(N2CC[C@@H]3CSC[C@@H]3C2)cc[nH+]1 ZINC000866204761 589480185 /nfs/dbraw/zinc/48/01/85/589480185.db2.gz ZMYXTBWNSBGGAL-MNOVXSKESA-N 1 2 235.356 1.974 20 0 BDADLO CC1(C)C[C@@H](O)CN(c2cccc[nH+]2)C1 ZINC000866227344 589481798 /nfs/dbraw/zinc/48/17/98/589481798.db2.gz YKPQAUYZNBNAGP-SNVBAGLBSA-N 1 2 206.289 1.679 20 0 BDADLO Cc1cc(N2CC(OC(C)(C)C)C2)nc[nH+]1 ZINC000866279012 589484143 /nfs/dbraw/zinc/48/41/43/589484143.db2.gz FWVWRLDVVMLXAK-UHFFFAOYSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)cnc1F ZINC000866296682 589484566 /nfs/dbraw/zinc/48/45/66/589484566.db2.gz NUEHRQGASJORHV-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1nc[nH+]c(C)c1OC ZINC000866304171 589485327 /nfs/dbraw/zinc/48/53/27/589485327.db2.gz VCHCXOUBBIOISV-PSASIEDQSA-N 1 2 239.319 1.755 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866338121 589487072 /nfs/dbraw/zinc/48/70/72/589487072.db2.gz XOFYEYBIFMSDLB-ONGXEEELSA-N 1 2 239.319 1.338 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1ncc[nH]1 ZINC000866475387 589495364 /nfs/dbraw/zinc/49/53/64/589495364.db2.gz XVABJACIUZBLCE-MRVPVSSYSA-N 1 2 220.251 1.795 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866823250 589519743 /nfs/dbraw/zinc/51/97/43/589519743.db2.gz KJFHQSJURBZKPA-FVKOELHVSA-N 1 2 237.278 1.647 20 0 BDADLO CCC=C(F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000866823250 589519744 /nfs/dbraw/zinc/51/97/44/589519744.db2.gz KJFHQSJURBZKPA-FVKOELHVSA-N 1 2 237.278 1.647 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)OCC1CC1 ZINC000867710644 589531919 /nfs/dbraw/zinc/53/19/19/589531919.db2.gz GYJYWPXQPMJEJH-NSHDSACASA-N 1 2 244.310 1.557 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)OCC1CC1 ZINC000867710644 589531918 /nfs/dbraw/zinc/53/19/18/589531918.db2.gz GYJYWPXQPMJEJH-NSHDSACASA-N 1 2 244.310 1.557 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)OC[C@H]1CCCO1 ZINC000867756131 589533053 /nfs/dbraw/zinc/53/30/53/589533053.db2.gz GPAHCWPNKINCIZ-SECBINFHSA-N 1 2 239.275 1.157 20 0 BDADLO CCCN(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000867756928 589533471 /nfs/dbraw/zinc/53/34/71/589533471.db2.gz RMRLDMSEFMJQCK-UHFFFAOYSA-N 1 2 210.281 1.303 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000868264823 589553320 /nfs/dbraw/zinc/55/33/20/589553320.db2.gz WTMZVAZXIDNOQY-HBAUCTPOSA-N 1 2 237.278 1.578 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H](C2CC2)C1 ZINC000868394243 589556809 /nfs/dbraw/zinc/55/68/09/589556809.db2.gz XJZQLCMVDZORHY-ZYHUDNBSSA-N 1 2 249.314 1.092 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1ccncc1 ZINC000868412867 589557104 /nfs/dbraw/zinc/55/71/04/589557104.db2.gz KAYPPMGXEZUYJU-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO CC/C=C(/F)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000868426689 589557898 /nfs/dbraw/zinc/55/78/98/589557898.db2.gz ITSCBRQEXFZPOE-FPYGCLRLSA-N 1 2 223.251 1.558 20 0 BDADLO CC/C=C(/F)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000868426689 589557900 /nfs/dbraw/zinc/55/79/00/589557900.db2.gz ITSCBRQEXFZPOE-FPYGCLRLSA-N 1 2 223.251 1.558 20 0 BDADLO CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H](C)C(C)C ZINC000868432155 589558243 /nfs/dbraw/zinc/55/82/43/589558243.db2.gz ZREYEPGNIJOFFQ-KOLCDFICSA-N 1 2 239.319 1.336 20 0 BDADLO Cc1cnc(F)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000868506305 589561362 /nfs/dbraw/zinc/56/13/62/589561362.db2.gz KTYXEPHXABAMQM-MRVPVSSYSA-N 1 2 248.261 1.743 20 0 BDADLO CC/C=C(\F)C(=O)NCc1c[nH+]ccc1OC ZINC000868546417 589563415 /nfs/dbraw/zinc/56/34/15/589563415.db2.gz YRTDHAPVHFYSBE-WMZJFQQLSA-N 1 2 238.262 1.970 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/SC ZINC000868677391 589572407 /nfs/dbraw/zinc/57/24/07/589572407.db2.gz KOVFSBFAGNJKKN-WHXYTISESA-N 1 2 239.344 1.957 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868812742 589578004 /nfs/dbraw/zinc/57/80/04/589578004.db2.gz KEIDQOWWLRHGMN-PSASIEDQSA-N 1 2 237.303 1.233 20 0 BDADLO CN(CCC(C)(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869075065 589586079 /nfs/dbraw/zinc/58/60/79/589586079.db2.gz ASUIARDZVCBFHV-SNVBAGLBSA-N 1 2 239.319 1.338 20 0 BDADLO CO[C@H](C)COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000122464673 589592030 /nfs/dbraw/zinc/59/20/30/589592030.db2.gz BOEHGMCIVUYROZ-NXEZZACHSA-N 1 2 247.360 1.002 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCCn2cc[nH+]c2)[C@H](C)O1 ZINC000869656005 589620222 /nfs/dbraw/zinc/62/02/22/589620222.db2.gz RTLGKPAHSKWOPA-VWYCJHECSA-N 1 2 238.287 1.240 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(C(F)F)CCC1 ZINC000869708159 589624249 /nfs/dbraw/zinc/62/42/49/589624249.db2.gz QEONYUBNZNGLSK-UHFFFAOYSA-N 1 2 244.241 1.862 20 0 BDADLO COCCC(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122844735 589639072 /nfs/dbraw/zinc/63/90/72/589639072.db2.gz VVCKRPHLKMWDRU-UHFFFAOYSA-N 1 2 239.271 1.478 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@]12C[C@@H]1CCCC2 ZINC000870534577 589672218 /nfs/dbraw/zinc/67/22/18/589672218.db2.gz GQDLBAQBVXCAPK-CABZTGNLSA-N 1 2 219.288 1.401 20 0 BDADLO NC(=[NH+]OCCCC1CC1)[C@@H]1CCCO1 ZINC000871749435 589805068 /nfs/dbraw/zinc/80/50/68/589805068.db2.gz VYOZULCILMFIGW-JTQLQIEISA-N 1 2 212.293 1.854 20 0 BDADLO NC(COC1CCC1)=[NH+]OCC[C@@H]1CCCO1 ZINC000871778716 589815241 /nfs/dbraw/zinc/81/52/41/589815241.db2.gz TWAPTGIKIKQGJZ-NSHDSACASA-N 1 2 242.319 1.623 20 0 BDADLO Cn1ccc(NCc2[nH+]ccn2CC(F)F)n1 ZINC000871826453 589821751 /nfs/dbraw/zinc/82/17/51/589821751.db2.gz KWGMXAPSPJPWBI-UHFFFAOYSA-N 1 2 241.245 1.494 20 0 BDADLO CCS(=O)(=O)CCn1c[nH+]c(C(C)(C)C)c1 ZINC000871990195 589854412 /nfs/dbraw/zinc/85/44/12/589854412.db2.gz YPRVKTGEMDCOGE-UHFFFAOYSA-N 1 2 244.360 1.615 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000123945724 589866978 /nfs/dbraw/zinc/86/69/78/589866978.db2.gz RWUPLQOZXRMSTK-SNVBAGLBSA-N 1 2 209.245 1.417 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccoc1 ZINC000123945724 589866979 /nfs/dbraw/zinc/86/69/79/589866979.db2.gz RWUPLQOZXRMSTK-SNVBAGLBSA-N 1 2 209.245 1.417 20 0 BDADLO Cc1nonc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000872136640 589879430 /nfs/dbraw/zinc/87/94/30/589879430.db2.gz NQVRZYGGJBULNW-JTQLQIEISA-N 1 2 247.302 1.279 20 0 BDADLO Cc1nonc1CN[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000872138062 589879989 /nfs/dbraw/zinc/87/99/89/589879989.db2.gz ZABGPQTXGAIHSZ-IONNQARKSA-N 1 2 233.275 1.370 20 0 BDADLO CN1CC[N@H+](Cc2ncc[nH]2)Cc2cccnc21 ZINC000872264834 589902069 /nfs/dbraw/zinc/90/20/69/589902069.db2.gz FFADFPKWISPZCD-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO CN1CC[N@@H+](Cc2ncc[nH]2)Cc2cccnc21 ZINC000872264834 589902070 /nfs/dbraw/zinc/90/20/70/589902070.db2.gz FFADFPKWISPZCD-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO C/C=C\C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872295726 589907249 /nfs/dbraw/zinc/90/72/49/589907249.db2.gz HSOHUILYZSCCFN-HYXAFXHYSA-N 1 2 231.299 1.436 20 0 BDADLO CC(C)=CC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872297868 589908308 /nfs/dbraw/zinc/90/83/08/589908308.db2.gz XEJFVFGHWXCGRI-UHFFFAOYSA-N 1 2 245.326 1.826 20 0 BDADLO COC[C@@H]1CC[N@@H+]1CN1CCC2(CCC2)C1=O ZINC000872615405 589956496 /nfs/dbraw/zinc/95/64/96/589956496.db2.gz ZPOJQLSNWRZKMJ-NSHDSACASA-N 1 2 238.331 1.067 20 0 BDADLO COC[C@@H]1CC[N@H+]1CN1CCC2(CCC2)C1=O ZINC000872615405 589956497 /nfs/dbraw/zinc/95/64/97/589956497.db2.gz ZPOJQLSNWRZKMJ-NSHDSACASA-N 1 2 238.331 1.067 20 0 BDADLO Cc1nc(NCCC[C@H]2C=CCC2)nc(N)[nH+]1 ZINC000872693068 589961944 /nfs/dbraw/zinc/96/19/44/589961944.db2.gz DXKLBGKJNHVXAL-JTQLQIEISA-N 1 2 233.319 1.921 20 0 BDADLO Cc1nc(N)nc(NCCC[C@H]2C=CCC2)[nH+]1 ZINC000872693068 589961945 /nfs/dbraw/zinc/96/19/45/589961945.db2.gz DXKLBGKJNHVXAL-JTQLQIEISA-N 1 2 233.319 1.921 20 0 BDADLO O=C1OCC[C@@H]1CCCNc1cccc[nH+]1 ZINC000872704673 589963708 /nfs/dbraw/zinc/96/37/08/589963708.db2.gz ACELRWPUXROXNQ-JTQLQIEISA-N 1 2 220.272 1.837 20 0 BDADLO Cc1nn(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c(=O)o1 ZINC000872818161 589972113 /nfs/dbraw/zinc/97/21/13/589972113.db2.gz HGZJMIUDWNMZPI-SECBINFHSA-N 1 2 241.335 1.716 20 0 BDADLO Cc1nn(C[N@H+](C)C[C@@H](C)C(C)(C)C)c(=O)o1 ZINC000872818161 589972114 /nfs/dbraw/zinc/97/21/14/589972114.db2.gz HGZJMIUDWNMZPI-SECBINFHSA-N 1 2 241.335 1.716 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)C[C@@H](C2CC2)O1 ZINC000873209881 589994739 /nfs/dbraw/zinc/99/47/39/589994739.db2.gz UZIFYRZKMMCLNV-SKDRFNHKSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@@H](C2CC2)O1 ZINC000873209881 589994741 /nfs/dbraw/zinc/99/47/41/589994741.db2.gz UZIFYRZKMMCLNV-SKDRFNHKSA-N 1 2 248.330 1.058 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC12CCC2 ZINC000873267298 590015346 /nfs/dbraw/zinc/01/53/46/590015346.db2.gz BMUSXLJCDIYLQS-SECBINFHSA-N 1 2 234.303 1.494 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC12CCC2 ZINC000873267299 590015670 /nfs/dbraw/zinc/01/56/70/590015670.db2.gz BMUSXLJCDIYLQS-VIFPVBQESA-N 1 2 234.303 1.494 20 0 BDADLO CNc1ccc(C(=O)OCCn2cc[nH+]c2)nc1 ZINC000873416290 590040997 /nfs/dbraw/zinc/04/09/97/590040997.db2.gz LXZXDOSOVBFTOX-UHFFFAOYSA-N 1 2 246.270 1.177 20 0 BDADLO CC(C)OC1(C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000873721134 590068117 /nfs/dbraw/zinc/06/81/17/590068117.db2.gz GZTVBUUCIKULRG-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876527638 590209126 /nfs/dbraw/zinc/20/91/26/590209126.db2.gz IWCCZSXUYLOXEB-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876527638 590209127 /nfs/dbraw/zinc/20/91/27/590209127.db2.gz IWCCZSXUYLOXEB-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO CCCn1cc(C[N@@H+]2CCC[C@@H](OC)C2)nn1 ZINC000876609191 590221889 /nfs/dbraw/zinc/22/18/89/590221889.db2.gz ITNXAYSIGMCPLQ-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCC[C@@H](OC)C2)nn1 ZINC000876609191 590221890 /nfs/dbraw/zinc/22/18/90/590221890.db2.gz ITNXAYSIGMCPLQ-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO c1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)sn1 ZINC000876766718 590239511 /nfs/dbraw/zinc/23/95/11/590239511.db2.gz QQMJHJHFQPABAY-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO Cc1cc([NH+](C)C)ccc1NCc1ncnn1C ZINC000876817588 590245795 /nfs/dbraw/zinc/24/57/95/590245795.db2.gz BTDKDTXHOXVHMG-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1ccc[nH]1 ZINC000877124893 590289680 /nfs/dbraw/zinc/28/96/80/590289680.db2.gz SRJFTVGUUIMGRO-SECBINFHSA-N 1 2 219.292 1.477 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1nc(Cl)cs1 ZINC000877423394 590325526 /nfs/dbraw/zinc/32/55/26/590325526.db2.gz ZAUFNFZAQFETLD-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000877469483 590334582 /nfs/dbraw/zinc/33/45/82/590334582.db2.gz OGZYCUPXOXOWJR-SRVKXCTJSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877470312 590335262 /nfs/dbraw/zinc/33/52/62/590335262.db2.gz BOCRJVJDJJYSIR-RQJHMYQMSA-N 1 2 240.130 1.721 20 0 BDADLO CCOC(=O)C1(C)CC([NH2+]C(CF)CF)C1 ZINC000877559165 590358795 /nfs/dbraw/zinc/35/87/95/590358795.db2.gz JJBAGJQQKMKHJX-UHFFFAOYSA-N 1 2 235.274 1.615 20 0 BDADLO COC(=O)c1[nH]c(C[NH+]2CC3(CC3)C2)cc1C ZINC000877557715 590358848 /nfs/dbraw/zinc/35/88/48/590358848.db2.gz WXQKQJKPPQXVIW-UHFFFAOYSA-N 1 2 234.299 1.706 20 0 BDADLO CCC[C@@H]([NH2+]CC(=O)NOCC)[C@@H]1CC1(C)C ZINC000877613456 590373545 /nfs/dbraw/zinc/37/35/45/590373545.db2.gz JHHVKODBVWJWRO-WDEREUQCSA-N 1 2 242.363 1.859 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000877629706 590378443 /nfs/dbraw/zinc/37/84/43/590378443.db2.gz VKYDIWRJJNVSIL-NWDGAFQWSA-N 1 2 244.298 1.083 20 0 BDADLO FC(F)(F)c1cc(C[NH2+]Cc2ncc[nH]2)[nH]n1 ZINC000877673662 590390416 /nfs/dbraw/zinc/39/04/16/590390416.db2.gz PXLGUCBWFBCACZ-UHFFFAOYSA-N 1 2 245.208 1.441 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2cncnc2)c1 ZINC000877699220 590393651 /nfs/dbraw/zinc/39/36/51/590393651.db2.gz BNZLAZTWWZTLMV-UHFFFAOYSA-N 1 2 247.254 1.146 20 0 BDADLO Cc1[nH+]c[nH]c1[C@@H]1Nc2cc(C)ccc2C(=O)N1 ZINC000877863038 590433890 /nfs/dbraw/zinc/43/38/90/590433890.db2.gz AKGVVHXTQATRPZ-GFCCVEGCSA-N 1 2 242.282 1.881 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000877934591 590451276 /nfs/dbraw/zinc/45/12/76/590451276.db2.gz DLSKVMPYPVPPLQ-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000877934591 590451278 /nfs/dbraw/zinc/45/12/78/590451278.db2.gz DLSKVMPYPVPPLQ-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO O[C@@H]1CCCN(Cc2[nH+]ccn2CC(F)F)C1 ZINC000877934591 590451281 /nfs/dbraw/zinc/45/12/81/590451281.db2.gz DLSKVMPYPVPPLQ-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO C[C@H]1COCCN1Cc1[nH+]ccn1CC(F)F ZINC000877953025 590455723 /nfs/dbraw/zinc/45/57/23/590455723.db2.gz FMBQBQXESXOVCI-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878020040 590472935 /nfs/dbraw/zinc/47/29/35/590472935.db2.gz FZFNLXOJMWPYBN-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878020040 590472936 /nfs/dbraw/zinc/47/29/36/590472936.db2.gz FZFNLXOJMWPYBN-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878044308 590479368 /nfs/dbraw/zinc/47/93/68/590479368.db2.gz MDNMXHCASOAZBB-DCAQKATOSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000878045403 590480447 /nfs/dbraw/zinc/48/04/47/590480447.db2.gz YXEHEMMYOPVODN-JTQLQIEISA-N 1 2 243.347 1.733 20 0 BDADLO CC1(C)CC[C@H](C[NH+]2CCS(=O)CC2)OC1 ZINC000878095047 590491725 /nfs/dbraw/zinc/49/17/25/590491725.db2.gz QBPJGEKJIQWWFK-LLVKDONJSA-N 1 2 245.388 1.256 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nccn1CC(F)F ZINC000878133104 590503915 /nfs/dbraw/zinc/50/39/15/590503915.db2.gz FXJIXVDUTLVZIS-VIFPVBQESA-N 1 2 247.289 1.351 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nccn1CC(F)F ZINC000878133104 590503917 /nfs/dbraw/zinc/50/39/17/590503917.db2.gz FXJIXVDUTLVZIS-VIFPVBQESA-N 1 2 247.289 1.351 20 0 BDADLO c1cn(C[C@H]2CCC3(CCOCC3)CO2)c[nH+]1 ZINC000878208225 590523981 /nfs/dbraw/zinc/52/39/81/590523981.db2.gz SPTBBILRJAHKCH-GFCCVEGCSA-N 1 2 236.315 1.859 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@H](O)C(C)C)C(C)(C)C ZINC000878266231 590531259 /nfs/dbraw/zinc/53/12/59/590531259.db2.gz ZWXMPNKGBLUMAM-WDEREUQCSA-N 1 2 245.363 1.571 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1CC=C(C)CC1 ZINC000878300323 590537122 /nfs/dbraw/zinc/53/71/22/590537122.db2.gz GOGGDWSKYBHBIX-UHFFFAOYSA-N 1 2 245.326 1.981 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1CC=C(C)CC1 ZINC000878300323 590537123 /nfs/dbraw/zinc/53/71/23/590537123.db2.gz GOGGDWSKYBHBIX-UHFFFAOYSA-N 1 2 245.326 1.981 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CC2(CCC2)CO1 ZINC000878315685 590542377 /nfs/dbraw/zinc/54/23/77/590542377.db2.gz UFRPJUDMGRAPFN-LLVKDONJSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CC2(CCC2)CO1 ZINC000878315685 590542378 /nfs/dbraw/zinc/54/23/78/590542378.db2.gz UFRPJUDMGRAPFN-LLVKDONJSA-N 1 2 235.331 1.801 20 0 BDADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000878320578 590545367 /nfs/dbraw/zinc/54/53/67/590545367.db2.gz HIULRXNTADZDAS-IUCAKERBSA-N 1 2 237.290 1.238 20 0 BDADLO CC(C)(O)C[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000878320578 590545368 /nfs/dbraw/zinc/54/53/68/590545368.db2.gz HIULRXNTADZDAS-IUCAKERBSA-N 1 2 237.290 1.238 20 0 BDADLO C=C/C=C\CC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000878334217 590548197 /nfs/dbraw/zinc/54/81/97/590548197.db2.gz RHNZHHSCQPHCBD-RXNFCKPNSA-N 1 2 225.288 1.040 20 0 BDADLO CC[C@@](C)([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878332365 590548372 /nfs/dbraw/zinc/54/83/72/590548372.db2.gz CYGZXEPXXRZDQH-ZYHUDNBSSA-N 1 2 231.336 1.325 20 0 BDADLO NC(=O)C1([NH2+]Cc2cc(C(F)(F)F)co2)CC1 ZINC000878385797 590558998 /nfs/dbraw/zinc/55/89/98/590558998.db2.gz SDHVIXRDLVGGRA-UHFFFAOYSA-N 1 2 248.204 1.406 20 0 BDADLO COCC1=CC[N@H+](Cc2nocc2C)CC1 ZINC000878454806 590570911 /nfs/dbraw/zinc/57/09/11/590570911.db2.gz IVLLGKAHJMADNJ-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO COCC1=CC[N@@H+](Cc2nocc2C)CC1 ZINC000878454806 590570913 /nfs/dbraw/zinc/57/09/13/590570913.db2.gz IVLLGKAHJMADNJ-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000878493494 590579800 /nfs/dbraw/zinc/57/98/00/590579800.db2.gz MSYRYBSAAUNPNS-BBBLOLIVSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000878493494 590579803 /nfs/dbraw/zinc/57/98/03/590579803.db2.gz MSYRYBSAAUNPNS-BBBLOLIVSA-N 1 2 235.274 1.113 20 0 BDADLO C=C/C=C/CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000878542057 590589115 /nfs/dbraw/zinc/58/91/15/590589115.db2.gz VPVHAJVWXLMKPA-NNOMMRTBSA-N 1 2 227.279 1.704 20 0 BDADLO C=C/C=C/CC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000878542057 590589116 /nfs/dbraw/zinc/58/91/16/590589116.db2.gz VPVHAJVWXLMKPA-NNOMMRTBSA-N 1 2 227.279 1.704 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878545599 590589652 /nfs/dbraw/zinc/58/96/52/590589652.db2.gz BFTFROUGRPCTKC-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878545599 590589653 /nfs/dbraw/zinc/58/96/53/590589653.db2.gz BFTFROUGRPCTKC-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878546142 590589660 /nfs/dbraw/zinc/58/96/60/590589660.db2.gz GEMXUNQPOOSSPL-QWRGUYRKSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878546142 590589661 /nfs/dbraw/zinc/58/96/61/590589661.db2.gz GEMXUNQPOOSSPL-QWRGUYRKSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878545619 590589978 /nfs/dbraw/zinc/58/99/78/590589978.db2.gz BRBMRKQCCKZIJL-FIQHERPVSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878545619 590589979 /nfs/dbraw/zinc/58/99/79/590589979.db2.gz BRBMRKQCCKZIJL-FIQHERPVSA-N 1 2 241.331 1.437 20 0 BDADLO FC(F)(F)OCCC[N@@H+]1CCOCC12CC2 ZINC000878567143 590593075 /nfs/dbraw/zinc/59/30/75/590593075.db2.gz CBJSHMRVWCNRJB-UHFFFAOYSA-N 1 2 239.237 1.778 20 0 BDADLO FC(F)(F)OCCC[N@H+]1CCOCC12CC2 ZINC000878567143 590593076 /nfs/dbraw/zinc/59/30/76/590593076.db2.gz CBJSHMRVWCNRJB-UHFFFAOYSA-N 1 2 239.237 1.778 20 0 BDADLO C[C@@]1([NH2+]C[C@H]2CCC3(CCC3)O2)CCOC1=O ZINC000878631379 590597650 /nfs/dbraw/zinc/59/76/50/590597650.db2.gz FROXEFKSFLEJSK-ZYHUDNBSSA-N 1 2 239.315 1.383 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2CCC(C)(C)CO2)CCOC1=O ZINC000878632033 590598236 /nfs/dbraw/zinc/59/82/36/590598236.db2.gz MIMNKBXOYZWLCA-GWCFXTLKSA-N 1 2 241.331 1.487 20 0 BDADLO C[N@H+](CCc1cnccn1)[C@@H]1CC(C)(C)OC1=O ZINC000878644927 590600562 /nfs/dbraw/zinc/60/05/62/590600562.db2.gz DIEKKDSLLZUXOV-LLVKDONJSA-N 1 2 249.314 1.045 20 0 BDADLO C[N@@H+](CCc1cnccn1)[C@@H]1CC(C)(C)OC1=O ZINC000878644927 590600563 /nfs/dbraw/zinc/60/05/63/590600563.db2.gz DIEKKDSLLZUXOV-LLVKDONJSA-N 1 2 249.314 1.045 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2CC(F)F)[C@H]1C ZINC000878651649 590602118 /nfs/dbraw/zinc/60/21/18/590602118.db2.gz CGBRJLYYMITDCO-BDAKNGLRSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2CC(F)F)[C@H]1C ZINC000878651649 590602120 /nfs/dbraw/zinc/60/21/20/590602120.db2.gz CGBRJLYYMITDCO-BDAKNGLRSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2CC(F)F)[C@H]1C ZINC000878651649 590602122 /nfs/dbraw/zinc/60/21/22/590602122.db2.gz CGBRJLYYMITDCO-BDAKNGLRSA-N 1 2 229.274 1.988 20 0 BDADLO C=C/C=C\CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726624 590616850 /nfs/dbraw/zinc/61/68/50/590616850.db2.gz RTORQHLYDJSWTE-PLNGDYQASA-N 1 2 209.249 1.339 20 0 BDADLO C=C/C=C\CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726624 590616853 /nfs/dbraw/zinc/61/68/53/590616853.db2.gz RTORQHLYDJSWTE-PLNGDYQASA-N 1 2 209.249 1.339 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755380 590618877 /nfs/dbraw/zinc/61/88/77/590618877.db2.gz DQONETUJXXBOOD-STQMWFEESA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755380 590618878 /nfs/dbraw/zinc/61/88/78/590618878.db2.gz DQONETUJXXBOOD-STQMWFEESA-N 1 2 246.310 1.577 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cc[nH+]cc1O ZINC000878777338 590621334 /nfs/dbraw/zinc/62/13/34/590621334.db2.gz HBLLOOZQRDXKQI-UWVGGRQHSA-N 1 2 232.283 1.584 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878793801 590624605 /nfs/dbraw/zinc/62/46/05/590624605.db2.gz MIMHPVNROPPBBO-SECBINFHSA-N 1 2 214.696 1.046 20 0 BDADLO CN1CC[C@@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878793801 590624606 /nfs/dbraw/zinc/62/46/06/590624606.db2.gz MIMHPVNROPPBBO-SECBINFHSA-N 1 2 214.696 1.046 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1c[nH]cc1C1CC1 ZINC000878798865 590625057 /nfs/dbraw/zinc/62/50/57/590625057.db2.gz YNYKNAXSQOAZPM-UHFFFAOYSA-N 1 2 244.298 1.588 20 0 BDADLO OC[C@@H]1CC[C@@H](CO)[NH+]1C/C(Cl)=C/Cl ZINC000878883171 590640147 /nfs/dbraw/zinc/64/01/47/590640147.db2.gz NTXIRXLVMBTCER-MTMYIVCTSA-N 1 2 240.130 1.123 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3nonc3c2)CCO1 ZINC000878970071 590665502 /nfs/dbraw/zinc/66/55/02/590665502.db2.gz JLRVOIHKMPSRTQ-GFCCVEGCSA-N 1 2 249.270 1.028 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CCO1 ZINC000878970071 590665505 /nfs/dbraw/zinc/66/55/05/590665505.db2.gz JLRVOIHKMPSRTQ-GFCCVEGCSA-N 1 2 249.270 1.028 20 0 BDADLO CCON(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000879073607 590692895 /nfs/dbraw/zinc/69/28/95/590692895.db2.gz FVVOBLIGNXDAGE-UHFFFAOYSA-N 1 2 237.303 1.926 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2noc(C)n2)C1 ZINC000879322584 590742657 /nfs/dbraw/zinc/74/26/57/590742657.db2.gz WUURSDXHPDBPHJ-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc(C)n2)C1 ZINC000879322584 590742660 /nfs/dbraw/zinc/74/26/60/590742660.db2.gz WUURSDXHPDBPHJ-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879478984 590778018 /nfs/dbraw/zinc/77/80/18/590778018.db2.gz JBXSCFDVLIOKEY-CYBMUJFWSA-N 1 2 236.290 1.433 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879478984 590778022 /nfs/dbraw/zinc/77/80/22/590778022.db2.gz JBXSCFDVLIOKEY-CYBMUJFWSA-N 1 2 236.290 1.433 20 0 BDADLO C[C@]1(C(F)(F)F)C[N@H+](CCCF)CCO1 ZINC000879505045 590782610 /nfs/dbraw/zinc/78/26/10/590782610.db2.gz USDXVRADBNCEHU-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO C[C@]1(C(F)(F)F)C[N@@H+](CCCF)CCO1 ZINC000879505045 590782614 /nfs/dbraw/zinc/78/26/14/590782614.db2.gz USDXVRADBNCEHU-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)n[nH]1 ZINC000879565147 590805068 /nfs/dbraw/zinc/80/50/68/590805068.db2.gz LEWYFWBPYPNCQB-VHSXEESVSA-N 1 2 238.360 1.298 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)n[nH]1 ZINC000879565147 590805071 /nfs/dbraw/zinc/80/50/71/590805071.db2.gz LEWYFWBPYPNCQB-VHSXEESVSA-N 1 2 238.360 1.298 20 0 BDADLO CC1(C)C[C@@H](O)C[N@H+](Cc2ncccn2)C1 ZINC000879621467 590824181 /nfs/dbraw/zinc/82/41/81/590824181.db2.gz CVBWAYCCJFQTFX-SNVBAGLBSA-N 1 2 221.304 1.069 20 0 BDADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2ncccn2)C1 ZINC000879621467 590824186 /nfs/dbraw/zinc/82/41/86/590824186.db2.gz CVBWAYCCJFQTFX-SNVBAGLBSA-N 1 2 221.304 1.069 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)nc1 ZINC000879623118 590836334 /nfs/dbraw/zinc/83/63/34/590836334.db2.gz RWNPBFMFFVVIIG-LLVKDONJSA-N 1 2 235.331 1.378 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](O)CC(C)(C)C2)nc1 ZINC000879623118 590836336 /nfs/dbraw/zinc/83/63/36/590836336.db2.gz RWNPBFMFFVVIIG-LLVKDONJSA-N 1 2 235.331 1.378 20 0 BDADLO CNC(=O)C[N@H+](CCF)Cc1ccccc1 ZINC000879757341 590864318 /nfs/dbraw/zinc/86/43/18/590864318.db2.gz AKQVOMLUJHGZAT-UHFFFAOYSA-N 1 2 224.279 1.204 20 0 BDADLO CNC(=O)C[N@@H+](CCF)Cc1ccccc1 ZINC000879757341 590864323 /nfs/dbraw/zinc/86/43/23/590864323.db2.gz AKQVOMLUJHGZAT-UHFFFAOYSA-N 1 2 224.279 1.204 20 0 BDADLO Cc1conc1C[NH2+][C@H]1CCCn2nccc21 ZINC000879787547 590870441 /nfs/dbraw/zinc/87/04/41/590870441.db2.gz KEAXTKIFGKBQAY-JTQLQIEISA-N 1 2 232.287 1.804 20 0 BDADLO O=C(COC1CC1)Nc1ccn2cc[nH+]c2c1 ZINC000879837510 590881305 /nfs/dbraw/zinc/88/13/05/590881305.db2.gz JRWALIUGGIJQSY-UHFFFAOYSA-N 1 2 231.255 1.452 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCO1 ZINC000879984380 590904145 /nfs/dbraw/zinc/90/41/45/590904145.db2.gz ZVKOJNUMAVBAIK-NWDGAFQWSA-N 1 2 241.331 1.487 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880065965 590914052 /nfs/dbraw/zinc/91/40/52/590914052.db2.gz ZGIUTROYTRVUSP-IUCAKERBSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880065965 590914054 /nfs/dbraw/zinc/91/40/54/590914054.db2.gz ZGIUTROYTRVUSP-IUCAKERBSA-N 1 2 239.237 1.617 20 0 BDADLO CCC(C)(C)CC[N@@H+]1CC(=O)NCC12COC2 ZINC000880161942 590947830 /nfs/dbraw/zinc/94/78/30/590947830.db2.gz OIZFHVAMFNGJQE-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCC(C)(C)CC[N@H+]1CC(=O)NCC12COC2 ZINC000880161942 590947832 /nfs/dbraw/zinc/94/78/32/590947832.db2.gz OIZFHVAMFNGJQE-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H](CF)C2)no1 ZINC000880232034 590961364 /nfs/dbraw/zinc/96/13/64/590961364.db2.gz FKZUBJAQWIFAEC-VIFPVBQESA-N 1 2 227.283 1.814 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H](CF)C2)no1 ZINC000880232034 590961365 /nfs/dbraw/zinc/96/13/65/590961365.db2.gz FKZUBJAQWIFAEC-VIFPVBQESA-N 1 2 227.283 1.814 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(F)nc1 ZINC000128286521 590962853 /nfs/dbraw/zinc/96/28/53/590962853.db2.gz ZYWWGAHIJWPBMU-UHFFFAOYSA-N 1 2 249.249 1.239 20 0 BDADLO FC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000880238740 590970749 /nfs/dbraw/zinc/97/07/49/590970749.db2.gz WQRUCGWMHAPJKB-MRVPVSSYSA-N 1 2 215.297 1.720 20 0 BDADLO FC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000880238740 590970752 /nfs/dbraw/zinc/97/07/52/590970752.db2.gz WQRUCGWMHAPJKB-MRVPVSSYSA-N 1 2 215.297 1.720 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(F)CC1 ZINC000880239835 590972983 /nfs/dbraw/zinc/97/29/83/590972983.db2.gz GEBJMMUPHTYUFF-MRVPVSSYSA-N 1 2 239.298 1.503 20 0 BDADLO CCn1ncc(C[NH+]2CCC(F)CC2)n1 ZINC000880239437 590973238 /nfs/dbraw/zinc/97/32/38/590973238.db2.gz JEQRLHHGFAEXLA-UHFFFAOYSA-N 1 2 212.272 1.232 20 0 BDADLO O=C(C[NH+]1CCC(F)CC1)Nc1nccs1 ZINC000880240452 590973831 /nfs/dbraw/zinc/97/38/31/590973831.db2.gz AJDSJRUGTOFWCX-UHFFFAOYSA-N 1 2 243.307 1.516 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880292004 590985700 /nfs/dbraw/zinc/98/57/00/590985700.db2.gz LNRHMSAFMNNUKZ-QMMMGPOBSA-N 1 2 231.702 1.865 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880292004 590985704 /nfs/dbraw/zinc/98/57/04/590985704.db2.gz LNRHMSAFMNNUKZ-QMMMGPOBSA-N 1 2 231.702 1.865 20 0 BDADLO FC[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000880294093 590989381 /nfs/dbraw/zinc/98/93/81/590989381.db2.gz RTKGDFVTJWCRHN-MRVPVSSYSA-N 1 2 225.267 1.738 20 0 BDADLO FC[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000880294093 590989383 /nfs/dbraw/zinc/98/93/83/590989383.db2.gz RTKGDFVTJWCRHN-MRVPVSSYSA-N 1 2 225.267 1.738 20 0 BDADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1nncn1C ZINC000880377576 591016513 /nfs/dbraw/zinc/01/65/13/591016513.db2.gz ZLNRRSUHENTFTE-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1nncn1C ZINC000880377576 591016515 /nfs/dbraw/zinc/01/65/15/591016515.db2.gz ZLNRRSUHENTFTE-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000880484970 591057572 /nfs/dbraw/zinc/05/75/72/591057572.db2.gz CGRIDMNMBLQQEH-SNVBAGLBSA-N 1 2 229.283 1.296 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000880484970 591057574 /nfs/dbraw/zinc/05/75/74/591057574.db2.gz CGRIDMNMBLQQEH-SNVBAGLBSA-N 1 2 229.283 1.296 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1c(F)cccc1F ZINC000880489495 591065708 /nfs/dbraw/zinc/06/57/08/591065708.db2.gz UWJVZRJFSGEENI-SECBINFHSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1c(F)cccc1F ZINC000880489495 591065711 /nfs/dbraw/zinc/06/57/11/591065711.db2.gz UWJVZRJFSGEENI-SECBINFHSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1c(F)cccc1F ZINC000880489496 591067150 /nfs/dbraw/zinc/06/71/50/591067150.db2.gz UWJVZRJFSGEENI-VIFPVBQESA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1c(F)cccc1F ZINC000880489496 591067155 /nfs/dbraw/zinc/06/71/55/591067155.db2.gz UWJVZRJFSGEENI-VIFPVBQESA-N 1 2 225.238 1.698 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880514595 591081872 /nfs/dbraw/zinc/08/18/72/591081872.db2.gz GNMDSSUNDNAWBD-WZRBSPASSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(N)=O)no1 ZINC000880587956 591101678 /nfs/dbraw/zinc/10/16/78/591101678.db2.gz NJBIPCVEQMDCOX-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](CC(C)C)C(N)=O)no1 ZINC000880587956 591101680 /nfs/dbraw/zinc/10/16/80/591101680.db2.gz NJBIPCVEQMDCOX-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H](CC(C)C)C(N)=O)o1 ZINC000880591144 591103509 /nfs/dbraw/zinc/10/35/09/591103509.db2.gz ZEWUWDZZZRUGMW-JTQLQIEISA-N 1 2 239.319 1.315 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H](CC(C)C)C(N)=O)o1 ZINC000880591144 591103511 /nfs/dbraw/zinc/10/35/11/591103511.db2.gz ZEWUWDZZZRUGMW-JTQLQIEISA-N 1 2 239.319 1.315 20 0 BDADLO CC(C)COCC[N@@H+]1CCc2ncncc2C1 ZINC000880599907 591109368 /nfs/dbraw/zinc/10/93/68/591109368.db2.gz UCLAZWGCSSRZOK-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO CC(C)COCC[N@H+]1CCc2ncncc2C1 ZINC000880599907 591109370 /nfs/dbraw/zinc/10/93/70/591109370.db2.gz UCLAZWGCSSRZOK-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO Cc1nc(NC[C@H](O)c2ccncc2)cc[nH+]1 ZINC000128651777 591147076 /nfs/dbraw/zinc/14/70/76/591147076.db2.gz MNTYUATYSRORNM-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H](C)CO1 ZINC000888852521 591154289 /nfs/dbraw/zinc/15/42/89/591154289.db2.gz WDSNNZSNDDIMAF-LDYMZIIASA-N 1 2 220.272 1.175 20 0 BDADLO CCCC(=O)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000881299583 591183326 /nfs/dbraw/zinc/18/33/26/591183326.db2.gz PGYWTZPOMBVQHA-UHFFFAOYSA-N 1 2 233.275 1.043 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000881498355 591221087 /nfs/dbraw/zinc/22/10/87/591221087.db2.gz ISCOLJWDJWUZBT-QWRGUYRKSA-N 1 2 245.326 1.597 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000881498355 591221090 /nfs/dbraw/zinc/22/10/90/591221090.db2.gz ISCOLJWDJWUZBT-QWRGUYRKSA-N 1 2 245.326 1.597 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C=CCC1 ZINC000881499353 591221618 /nfs/dbraw/zinc/22/16/18/591221618.db2.gz TXYUGKCGTZQVGP-QJPTWQEYSA-N 1 2 245.326 1.606 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000881499614 591222532 /nfs/dbraw/zinc/22/25/32/591222532.db2.gz VNXFAEWYENTLPU-NEPJUHHUSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@]2(C)CC2(C)C)c[nH+]1 ZINC000881539843 591233673 /nfs/dbraw/zinc/23/36/73/591233673.db2.gz CBSSDOKROJPSBK-LBPRGKRZSA-N 1 2 221.304 1.884 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000881566833 591241590 /nfs/dbraw/zinc/24/15/90/591241590.db2.gz HETZDRWIZWKVDJ-UFFNRZRYSA-N 1 2 245.326 1.763 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000881566833 591241592 /nfs/dbraw/zinc/24/15/92/591241592.db2.gz HETZDRWIZWKVDJ-UFFNRZRYSA-N 1 2 245.326 1.763 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000881566897 591241802 /nfs/dbraw/zinc/24/18/02/591241802.db2.gz IHNOAGVJADXQLO-XLMCQVRKSA-N 1 2 245.326 1.772 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](CF)C1 ZINC000881596005 591251008 /nfs/dbraw/zinc/25/10/08/591251008.db2.gz ZRPVGTUHINVZLE-LLVKDONJSA-N 1 2 239.294 1.481 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](CF)C1 ZINC000881596006 591251068 /nfs/dbraw/zinc/25/10/68/591251068.db2.gz ZRPVGTUHINVZLE-NSHDSACASA-N 1 2 239.294 1.481 20 0 BDADLO Cc1[nH+]cnc(NCCNC(=O)C2CC2)c1C ZINC000881763104 591269716 /nfs/dbraw/zinc/26/97/16/591269716.db2.gz IZGRXDKGCWGRNE-UHFFFAOYSA-N 1 2 234.303 1.032 20 0 BDADLO Cc1[nH+]cnc(NCc2nc(C3CC3)no2)c1C ZINC000881828953 591273587 /nfs/dbraw/zinc/27/35/87/591273587.db2.gz PHJQATKXMGGLQC-UHFFFAOYSA-N 1 2 245.286 1.966 20 0 BDADLO CCC[C@@H](O)CNc1nc[nH+]c(C)c1C ZINC000881978249 591284813 /nfs/dbraw/zinc/28/48/13/591284813.db2.gz ZTMVTUNEHXAQIB-SNVBAGLBSA-N 1 2 209.293 1.666 20 0 BDADLO OCC[C@H](Nc1cc[nH+]cc1F)C1CC1 ZINC000882009558 591287477 /nfs/dbraw/zinc/28/74/77/591287477.db2.gz YLXMIXIKNXDDKQ-JTQLQIEISA-N 1 2 210.252 1.216 20 0 BDADLO CC[C@@H](CCO)Nc1nc[nH+]c(C)c1C ZINC000882008380 591287676 /nfs/dbraw/zinc/28/76/76/591287676.db2.gz UDPHOCGPQBMDCE-JTQLQIEISA-N 1 2 209.293 1.666 20 0 BDADLO COC(C)(C)CNc1nc[nH+]c(C)c1C ZINC000882029941 591288741 /nfs/dbraw/zinc/28/87/41/591288741.db2.gz QMQDNEFGBMFSNA-UHFFFAOYSA-N 1 2 209.293 1.930 20 0 BDADLO CCc1nncn1CCNc1nc[nH+]c(C)c1C ZINC000882032391 591289441 /nfs/dbraw/zinc/28/94/41/591289441.db2.gz GIFYJZNYEGLVDA-UHFFFAOYSA-N 1 2 246.318 1.359 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2COC(C)(C)O2)c1C ZINC000882111703 591299782 /nfs/dbraw/zinc/29/97/82/591299782.db2.gz VNDUXTVUWLQBGX-JTQLQIEISA-N 1 2 237.303 1.657 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@@H]([C@@H](C)O)C2)c1C ZINC000882121450 591300962 /nfs/dbraw/zinc/30/09/62/591300962.db2.gz RYSFHUNAVZMXNC-VXGBXAGGSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)C[S@@](C)=O)c1C ZINC000882177587 591311608 /nfs/dbraw/zinc/31/16/08/591311608.db2.gz HGQVGLGUKFGVNN-NZFNHWASSA-N 1 2 227.333 1.272 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]cc2F)[C@@H]1C ZINC000882242905 591320709 /nfs/dbraw/zinc/32/07/09/591320709.db2.gz XYDVGZNAXQYBAF-BDAKNGLRSA-N 1 2 238.262 1.609 20 0 BDADLO Cc1ncnc(NCc2ccc(N)[nH+]c2)c1C ZINC000882244025 591320916 /nfs/dbraw/zinc/32/09/16/591320916.db2.gz LESHJAIFACDPOH-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1[nH+]cnc(NCCC2(O)CCC2)c1C ZINC000882329562 591332053 /nfs/dbraw/zinc/33/20/53/591332053.db2.gz JSVUFNCCAWGYLP-UHFFFAOYSA-N 1 2 221.304 1.810 20 0 BDADLO COCC[C@H](COC)Nc1nc[nH+]c(C)c1C ZINC000882384445 591341783 /nfs/dbraw/zinc/34/17/83/591341783.db2.gz SCQQSFLJCVTSSD-LLVKDONJSA-N 1 2 239.319 1.557 20 0 BDADLO Cc1[nH+]cnc(NCC[C@H](C)CCO)c1C ZINC000882407195 591343664 /nfs/dbraw/zinc/34/36/64/591343664.db2.gz HJVMBXMCEUZBDI-VIFPVBQESA-N 1 2 223.320 1.914 20 0 BDADLO CO[C@@H]1CCN(c2nc[nH+]c(C)c2C)C[C@@H]1C ZINC000882419088 591345694 /nfs/dbraw/zinc/34/56/94/591345694.db2.gz BVJUGQCTYFTLLK-JOYOIKCWSA-N 1 2 235.331 1.955 20 0 BDADLO COCC(COC)Nc1nc[nH+]c(C)c1C ZINC000882423609 591345907 /nfs/dbraw/zinc/34/59/07/591345907.db2.gz YCPMIQSQIYPKFX-UHFFFAOYSA-N 1 2 225.292 1.167 20 0 BDADLO CCCOc1ccnc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000882574724 591393058 /nfs/dbraw/zinc/39/30/58/591393058.db2.gz JVLNZLJPIXWQLV-UHFFFAOYSA-N 1 2 247.302 1.625 20 0 BDADLO CCCOc1ccnc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000882574724 591393063 /nfs/dbraw/zinc/39/30/63/591393063.db2.gz JVLNZLJPIXWQLV-UHFFFAOYSA-N 1 2 247.302 1.625 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H]3COC[C@@]3(C)C2)c1C ZINC000882620087 591401596 /nfs/dbraw/zinc/40/15/96/591401596.db2.gz SOPQFLMIKMFQAQ-DGCLKSJQSA-N 1 2 233.315 1.566 20 0 BDADLO Cc1nccnc1[C@@H](C)Nc1cc[nH+]cc1F ZINC000882719684 591420180 /nfs/dbraw/zinc/42/01/80/591420180.db2.gz VYSBOZIDMNAQMT-SECBINFHSA-N 1 2 232.262 1.914 20 0 BDADLO CC/C=C(\C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000212946052 591439404 /nfs/dbraw/zinc/43/94/04/591439404.db2.gz PSIUXAVXKYFDMT-XBXARRHUSA-N 1 2 205.261 1.959 20 0 BDADLO C=C/C=C\CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000882795023 591439866 /nfs/dbraw/zinc/43/98/66/591439866.db2.gz CTWAHEMEEFASOP-PLNGDYQASA-N 1 2 244.302 1.490 20 0 BDADLO C=C/C=C/CCNc1nc[nH+]c(N)c1OC ZINC000882795564 591440659 /nfs/dbraw/zinc/44/06/59/591440659.db2.gz PHZNLERMDJGZCY-SNAWJCMRSA-N 1 2 220.276 1.612 20 0 BDADLO C=C/C=C/CCNc1[nH+]cnc(N)c1OC ZINC000882795564 591440664 /nfs/dbraw/zinc/44/06/64/591440664.db2.gz PHZNLERMDJGZCY-SNAWJCMRSA-N 1 2 220.276 1.612 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@@H](CO)C2)[nH+]c1 ZINC000213229091 591455240 /nfs/dbraw/zinc/45/52/40/591455240.db2.gz QTAVZVIUEUYUJO-GHMZBOCLSA-N 1 2 236.315 1.344 20 0 BDADLO CC(C)c1c[nH]c(CNc2cnn(C)c2)[nH+]1 ZINC000882965585 591486605 /nfs/dbraw/zinc/48/66/05/591486605.db2.gz IGPFANPCBZEJQD-UHFFFAOYSA-N 1 2 219.292 1.879 20 0 BDADLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)c1ncccn1 ZINC000882990245 591497487 /nfs/dbraw/zinc/49/74/87/591497487.db2.gz CLXQQRWEWQLZLT-IUCAKERBSA-N 1 2 236.275 1.215 20 0 BDADLO NC(CO)=[NH+]OCc1ccc(Cl)s1 ZINC000883010122 591511379 /nfs/dbraw/zinc/51/13/79/591511379.db2.gz FPBOFXVXGNUREF-UHFFFAOYSA-N 1 2 220.681 1.392 20 0 BDADLO CC(C)CSCCCO[NH+]=C(N)CO ZINC000883012031 591512075 /nfs/dbraw/zinc/51/20/75/591512075.db2.gz QURXYEYQKIDRKA-UHFFFAOYSA-N 1 2 220.338 1.256 20 0 BDADLO CC1CCC(CO[NH+]=C(N)CO)CC1 ZINC000883012644 591512547 /nfs/dbraw/zinc/51/25/47/591512547.db2.gz NDBGQKXVDAYURX-UHFFFAOYSA-N 1 2 200.282 1.303 20 0 BDADLO C[C@@H]1CCC[C@@H](CCO[NH+]=C(N)CO)C1 ZINC000883012123 591512739 /nfs/dbraw/zinc/51/27/39/591512739.db2.gz ULHWRLPKRYDOME-ZJUUUORDSA-N 1 2 214.309 1.694 20 0 BDADLO CC(C)c1c[nH]c(CN[C@@H](C)c2ncnn2C)[nH+]1 ZINC000883101458 591540382 /nfs/dbraw/zinc/54/03/82/591540382.db2.gz JADPTEFIXKNJEA-VIFPVBQESA-N 1 2 248.334 1.512 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cccc2c1CCOC2 ZINC000883184824 591565750 /nfs/dbraw/zinc/56/57/50/591565750.db2.gz GCCMRQXQWGQOCP-UHFFFAOYSA-N 1 2 244.298 1.167 20 0 BDADLO c1[nH]nnc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000883184824 591565754 /nfs/dbraw/zinc/56/57/54/591565754.db2.gz GCCMRQXQWGQOCP-UHFFFAOYSA-N 1 2 244.298 1.167 20 0 BDADLO c1n[nH]nc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000883184824 591565757 /nfs/dbraw/zinc/56/57/57/591565757.db2.gz GCCMRQXQWGQOCP-UHFFFAOYSA-N 1 2 244.298 1.167 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H](C)O1 ZINC000132289418 591697831 /nfs/dbraw/zinc/69/78/31/591697831.db2.gz MPNHUUFLHJCYSR-BKIAHZASSA-N 1 2 233.695 1.001 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H](C)O1 ZINC000132289418 591697835 /nfs/dbraw/zinc/69/78/35/591697835.db2.gz MPNHUUFLHJCYSR-BKIAHZASSA-N 1 2 233.695 1.001 20 0 BDADLO O=C(NC[C@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000883669464 591714958 /nfs/dbraw/zinc/71/49/58/591714958.db2.gz HVCQJYQYOBBTRS-QWRGUYRKSA-N 1 2 246.314 1.593 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1C=CCC1 ZINC000883785343 591741877 /nfs/dbraw/zinc/74/18/77/591741877.db2.gz PKQOSHMDSGCQRG-JTQLQIEISA-N 1 2 234.303 1.517 20 0 BDADLO CCn1cc(C[N@@H+]2CCSC[C@H]2C)nn1 ZINC000884003298 591793243 /nfs/dbraw/zinc/79/32/43/591793243.db2.gz KEXRIFHODMWDLZ-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1cc(C[N@H+]2CCSC[C@H]2C)nn1 ZINC000884003298 591793247 /nfs/dbraw/zinc/79/32/47/591793247.db2.gz KEXRIFHODMWDLZ-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C2(C)CCC2)CCO1 ZINC000800179046 591833008 /nfs/dbraw/zinc/83/30/08/591833008.db2.gz HZJWCSHPNHGCKU-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C2(C)CCC2)CCO1 ZINC000800179046 591833011 /nfs/dbraw/zinc/83/30/11/591833011.db2.gz HZJWCSHPNHGCKU-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)/C=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800217078 591841076 /nfs/dbraw/zinc/84/10/76/591841076.db2.gz JYWYKSHJMSUMQU-RXNFCKPNSA-N 1 2 241.331 1.463 20 0 BDADLO CC(C)/C=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800217078 591841081 /nfs/dbraw/zinc/84/10/81/591841081.db2.gz JYWYKSHJMSUMQU-RXNFCKPNSA-N 1 2 241.331 1.463 20 0 BDADLO CCn1cc(C[N@H+](C)CCOCC2CC2)nn1 ZINC000884267098 591887943 /nfs/dbraw/zinc/88/79/43/591887943.db2.gz UKIJWJPWTLXUPR-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCn1cc(C[N@@H+](C)CCOCC2CC2)nn1 ZINC000884267098 591887947 /nfs/dbraw/zinc/88/79/47/591887947.db2.gz UKIJWJPWTLXUPR-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCc1nc(NCCCc2nnc[nH]2)cc[nH+]1 ZINC000884494990 591956373 /nfs/dbraw/zinc/95/63/73/591956373.db2.gz JJECLJLUJDVZAX-UHFFFAOYSA-N 1 2 232.291 1.202 20 0 BDADLO CCc1nc(NC[C@H](CC)OC)cc[nH+]1 ZINC000884511415 591961136 /nfs/dbraw/zinc/96/11/36/591961136.db2.gz GEPWEHCLFDVVAU-VIFPVBQESA-N 1 2 209.293 1.876 20 0 BDADLO CCc1nc(NCCCc2cnn(C)n2)cc[nH+]1 ZINC000884516036 591963343 /nfs/dbraw/zinc/96/33/43/591963343.db2.gz ZWICTLYEHQBWQQ-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BDADLO CCc1nc(NCCC(C)(C)CO)cc[nH+]1 ZINC000884519336 591963721 /nfs/dbraw/zinc/96/37/21/591963721.db2.gz QAEUDSIZKHOXTG-UHFFFAOYSA-N 1 2 223.320 1.860 20 0 BDADLO CCc1nc(N2CC[C@H](CO)[C@H]2CC)cc[nH+]1 ZINC000884519527 591964042 /nfs/dbraw/zinc/96/40/42/591964042.db2.gz VGEBFOHREALYKQ-GHMZBOCLSA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N2CC[C@@H](CO)[C@@H]2CC)cc[nH+]1 ZINC000884519529 591964284 /nfs/dbraw/zinc/96/42/84/591964284.db2.gz VGEBFOHREALYKQ-QWRGUYRKSA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N[C@@H](CC)[C@@H](C)O)cc[nH+]1 ZINC000884522215 591964686 /nfs/dbraw/zinc/96/46/86/591964686.db2.gz RVHCRNLOTQRBDU-BDAKNGLRSA-N 1 2 209.293 1.610 20 0 BDADLO CCc1nc(N2CC[C@H](OC)[C@@H](C)C2)cc[nH+]1 ZINC000884520856 591964786 /nfs/dbraw/zinc/96/47/86/591964786.db2.gz HLJYRQWVXULVAG-QWRGUYRKSA-N 1 2 235.331 1.900 20 0 BDADLO CCO[C@@H]1COC[C@H]1Nc1cc[nH+]c(CC)n1 ZINC000884524506 591965643 /nfs/dbraw/zinc/96/56/43/591965643.db2.gz ZMKUVNGXETZMCB-NXEZZACHSA-N 1 2 237.303 1.255 20 0 BDADLO CCc1nc(N[C@H]2C[C@@](C)(O)C2)cc[nH+]1 ZINC000884532177 591969384 /nfs/dbraw/zinc/96/93/84/591969384.db2.gz DHGOLHQJBXOQQM-DKTWLAJQSA-N 1 2 207.277 1.364 20 0 BDADLO CCc1nc(NCCCc2ncnn2C)cc[nH+]1 ZINC000884541532 591972133 /nfs/dbraw/zinc/97/21/33/591972133.db2.gz HKKMURPSUGKUCC-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BDADLO CCc1nc(N[C@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000884543389 591972323 /nfs/dbraw/zinc/97/23/23/591972323.db2.gz CPADNDATIVAMBM-RKDXNWHRSA-N 1 2 207.277 1.628 20 0 BDADLO CCc1nc(N(C)[C@@H](C)c2nc(C)no2)cc[nH+]1 ZINC000884548418 591975969 /nfs/dbraw/zinc/97/59/69/591975969.db2.gz KBSFGQHSBGTWNT-QMMMGPOBSA-N 1 2 247.302 1.928 20 0 BDADLO CCc1nc(N[C@H](C)C2(CO)CC2)cc[nH+]1 ZINC000884555717 591978688 /nfs/dbraw/zinc/97/86/88/591978688.db2.gz YBJZCONRUYLUHD-SECBINFHSA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N[C@H]2CCCC23OCCO3)cc[nH+]1 ZINC000884558671 591979120 /nfs/dbraw/zinc/97/91/20/591979120.db2.gz AYVWOVATEGSCEO-JTQLQIEISA-N 1 2 249.314 1.747 20 0 BDADLO CCc1nc(N[C@H](C)c2nccn2C)cc[nH+]1 ZINC000884559252 591979725 /nfs/dbraw/zinc/97/97/25/591979725.db2.gz QBBUHRPSPOMQRN-SECBINFHSA-N 1 2 231.303 1.946 20 0 BDADLO CCc1nc(N2CC[C@@H](C)[C@@H](CO)C2)cc[nH+]1 ZINC000884562249 591980056 /nfs/dbraw/zinc/98/00/56/591980056.db2.gz VWAPICMQBKBYTJ-GHMZBOCLSA-N 1 2 235.331 1.494 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CC(OC)OC ZINC000215740374 591981189 /nfs/dbraw/zinc/98/11/89/591981189.db2.gz YDOCEHDCTIDSFG-JTQLQIEISA-N 1 2 247.335 1.125 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+](C)CC(OC)OC ZINC000215740374 591981191 /nfs/dbraw/zinc/98/11/91/591981191.db2.gz YDOCEHDCTIDSFG-JTQLQIEISA-N 1 2 247.335 1.125 20 0 BDADLO CCc1nc(NCCC[C@H]2CCOC2=O)cc[nH+]1 ZINC000884578912 591985720 /nfs/dbraw/zinc/98/57/20/591985720.db2.gz MMOHIABCMZSUDO-JTQLQIEISA-N 1 2 249.314 1.794 20 0 BDADLO CCc1nc(N2CCC(F)CC2)cc[nH+]1 ZINC000884580916 591987168 /nfs/dbraw/zinc/98/71/68/591987168.db2.gz OZHVOTYBDXUHJY-UHFFFAOYSA-N 1 2 209.268 1.977 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000884589924 591989646 /nfs/dbraw/zinc/98/96/46/591989646.db2.gz LWBREFJPWITICN-AOOOYVTPSA-N 1 2 247.346 1.517 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884589924 591989649 /nfs/dbraw/zinc/98/96/49/591989649.db2.gz LWBREFJPWITICN-AOOOYVTPSA-N 1 2 247.346 1.517 20 0 BDADLO CCc1nc(N[C@@H](CCO)C(F)(F)F)cc[nH+]1 ZINC000884831595 592024540 /nfs/dbraw/zinc/02/45/40/592024540.db2.gz UEGFYJDQMCPRQD-ZETCQYMHSA-N 1 2 249.236 1.764 20 0 BDADLO OCC[C@@H](Nc1cc[nH+]cc1F)C(F)(F)F ZINC000884832796 592024571 /nfs/dbraw/zinc/02/45/71/592024571.db2.gz AHKYGFQWCDOPCG-MRVPVSSYSA-N 1 2 238.184 1.368 20 0 BDADLO Cc1cc(C[NH2+]Cc2[nH]nc(C)c2C)no1 ZINC000885941734 592111457 /nfs/dbraw/zinc/11/14/57/592111457.db2.gz FJJDIMLUGLPGRI-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@](C)(O)C(F)F ZINC000885979839 592120397 /nfs/dbraw/zinc/12/03/97/592120397.db2.gz NMADIWFOGZVPME-SECBINFHSA-N 1 2 231.233 1.980 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@](C)(O)C(F)F ZINC000885979839 592120398 /nfs/dbraw/zinc/12/03/98/592120398.db2.gz NMADIWFOGZVPME-SECBINFHSA-N 1 2 231.233 1.980 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCSC(F)(F)F ZINC000885983456 592121272 /nfs/dbraw/zinc/12/12/72/592121272.db2.gz HGFGKYMXTFZURK-UHFFFAOYSA-N 1 2 245.266 1.781 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000885985270 592122372 /nfs/dbraw/zinc/12/23/72/592122372.db2.gz CTCRYFDCMMCQBP-WCBMZHEXSA-N 1 2 205.248 1.610 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000885985270 592122373 /nfs/dbraw/zinc/12/23/73/592122373.db2.gz CTCRYFDCMMCQBP-WCBMZHEXSA-N 1 2 205.248 1.610 20 0 BDADLO Cc1coc(C[NH2+][C@@H](CO)c2cnn(C)c2)c1 ZINC000886046755 592139853 /nfs/dbraw/zinc/13/98/53/592139853.db2.gz OYZSHYDTXSFNSO-LBPRGKRZSA-N 1 2 235.287 1.145 20 0 BDADLO Cc1coc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000886067016 592143233 /nfs/dbraw/zinc/14/32/33/592143233.db2.gz GMGZOWWTLLWJKA-UHFFFAOYSA-N 1 2 247.302 1.274 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886091869 592146827 /nfs/dbraw/zinc/14/68/27/592146827.db2.gz IMLDKWIJRFMWJF-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886091869 592146829 /nfs/dbraw/zinc/14/68/29/592146829.db2.gz IMLDKWIJRFMWJF-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO C[C@@](O)(C[N@@H+]1Cc2cccnc2C1)C(F)F ZINC000886185888 592171515 /nfs/dbraw/zinc/17/15/15/592171515.db2.gz KPBWGBRLXDSPRG-LLVKDONJSA-N 1 2 228.242 1.413 20 0 BDADLO C[C@@](O)(C[N@H+]1Cc2cccnc2C1)C(F)F ZINC000886185888 592171518 /nfs/dbraw/zinc/17/15/18/592171518.db2.gz KPBWGBRLXDSPRG-LLVKDONJSA-N 1 2 228.242 1.413 20 0 BDADLO C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1csnn1 ZINC000886249546 592186474 /nfs/dbraw/zinc/18/64/74/592186474.db2.gz NBTCRTQCGLBTKU-YLWLKBPMSA-N 1 2 237.275 1.205 20 0 BDADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344312 592212548 /nfs/dbraw/zinc/21/25/48/592212548.db2.gz BLGLXAVQVBDBFO-NTZNESFSSA-N 1 2 249.285 1.992 20 0 BDADLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344312 592212549 /nfs/dbraw/zinc/21/25/49/592212549.db2.gz BLGLXAVQVBDBFO-NTZNESFSSA-N 1 2 249.285 1.992 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)[nH]1 ZINC000886348306 592214573 /nfs/dbraw/zinc/21/45/73/592214573.db2.gz KIINWGOOLVLATD-DTORHVGOSA-N 1 2 220.320 1.554 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)[nH]1 ZINC000886348306 592214576 /nfs/dbraw/zinc/21/45/76/592214576.db2.gz KIINWGOOLVLATD-DTORHVGOSA-N 1 2 220.320 1.554 20 0 BDADLO CCc1nocc1C[N@@H+]1CCCn2nncc2C1 ZINC000886464627 592228570 /nfs/dbraw/zinc/22/85/70/592228570.db2.gz AGRWZTSFZWSQRW-UHFFFAOYSA-N 1 2 247.302 1.234 20 0 BDADLO CCc1nocc1C[N@H+]1CCCn2nncc2C1 ZINC000886464627 592228572 /nfs/dbraw/zinc/22/85/72/592228572.db2.gz AGRWZTSFZWSQRW-UHFFFAOYSA-N 1 2 247.302 1.234 20 0 BDADLO c1nsnc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570594 592263411 /nfs/dbraw/zinc/26/34/11/592263411.db2.gz QIPDKDHFQWLWEP-OCAPTIKFSA-N 1 2 227.358 1.333 20 0 BDADLO c1nsnc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570594 592263414 /nfs/dbraw/zinc/26/34/14/592263414.db2.gz QIPDKDHFQWLWEP-OCAPTIKFSA-N 1 2 227.358 1.333 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1C[C@H]1C)C2 ZINC000886628913 592281376 /nfs/dbraw/zinc/28/13/76/592281376.db2.gz JJNZODVPCMQFJF-ZJUUUORDSA-N 1 2 233.315 1.444 20 0 BDADLO C[C@H](N[C@@H](CCO)C(F)(F)F)c1[nH]cc[nH+]1 ZINC000886801439 592332289 /nfs/dbraw/zinc/33/22/89/592332289.db2.gz NLLPUNBOUIJJME-BQBZGAKWSA-N 1 2 237.225 1.374 20 0 BDADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000886811515 592335369 /nfs/dbraw/zinc/33/53/69/592335369.db2.gz VHPNMBXSFDWUNO-SECBINFHSA-N 1 2 249.236 1.156 20 0 BDADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000886811515 592335371 /nfs/dbraw/zinc/33/53/71/592335371.db2.gz VHPNMBXSFDWUNO-SECBINFHSA-N 1 2 249.236 1.156 20 0 BDADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCCF ZINC000886951191 592401450 /nfs/dbraw/zinc/40/14/50/592401450.db2.gz YFQWFPYPKIIDBM-ZJUUUORDSA-N 1 2 233.283 1.046 20 0 BDADLO CC[C@@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887098955 592441075 /nfs/dbraw/zinc/44/10/75/592441075.db2.gz JWGDUCUUMPFEED-SECBINFHSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887098955 592441077 /nfs/dbraw/zinc/44/10/77/592441077.db2.gz JWGDUCUUMPFEED-SECBINFHSA-N 1 2 207.264 1.877 20 0 BDADLO COC[C@H](C[N@H+](CC(F)F)C1CCC1)OC ZINC000887102355 592443186 /nfs/dbraw/zinc/44/31/86/592443186.db2.gz NBPKLNFCPRHXKJ-JTQLQIEISA-N 1 2 237.290 1.767 20 0 BDADLO COC[C@H](C[N@@H+](CC(F)F)C1CCC1)OC ZINC000887102355 592443190 /nfs/dbraw/zinc/44/31/90/592443190.db2.gz NBPKLNFCPRHXKJ-JTQLQIEISA-N 1 2 237.290 1.767 20 0 BDADLO C[C@@H](O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887102542 592443826 /nfs/dbraw/zinc/44/38/26/592443826.db2.gz SZPSTEJLPKFVDB-MRVPVSSYSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102542 592443829 /nfs/dbraw/zinc/44/38/29/592443829.db2.gz SZPSTEJLPKFVDB-MRVPVSSYSA-N 1 2 207.264 1.877 20 0 BDADLO COCc1noc([C@H](C)[N@H+](C)CCCF)n1 ZINC000887141514 592456426 /nfs/dbraw/zinc/45/64/26/592456426.db2.gz XIBLPWLOWSSBHF-QMMMGPOBSA-N 1 2 231.271 1.568 20 0 BDADLO COCc1noc([C@H](C)[N@@H+](C)CCCF)n1 ZINC000887141514 592456427 /nfs/dbraw/zinc/45/64/27/592456427.db2.gz XIBLPWLOWSSBHF-QMMMGPOBSA-N 1 2 231.271 1.568 20 0 BDADLO Cc1oc(NC(=O)[C@@H]2CCC[N@H+]2C)nc1C1CC1 ZINC000887239835 592470585 /nfs/dbraw/zinc/47/05/85/592470585.db2.gz GUULHUKNXSRBKQ-JTQLQIEISA-N 1 2 249.314 1.893 20 0 BDADLO Cc1oc(NC(=O)[C@@H]2CCC[N@@H+]2C)nc1C1CC1 ZINC000887239835 592470589 /nfs/dbraw/zinc/47/05/89/592470589.db2.gz GUULHUKNXSRBKQ-JTQLQIEISA-N 1 2 249.314 1.893 20 0 BDADLO Cc1oc(NC(=O)Cc2c[nH+]c[nH]2)nc1C1CC1 ZINC000887242670 592471353 /nfs/dbraw/zinc/47/13/53/592471353.db2.gz LHRJIQQYJBUESZ-UHFFFAOYSA-N 1 2 246.270 1.765 20 0 BDADLO Cc1oc(NC(=O)Cc2c[nH]c[nH+]2)nc1C1CC1 ZINC000887242670 592471355 /nfs/dbraw/zinc/47/13/55/592471355.db2.gz LHRJIQQYJBUESZ-UHFFFAOYSA-N 1 2 246.270 1.765 20 0 BDADLO CCC(=O)c1cn(CCc2cccc(C)[nH+]2)nn1 ZINC000887428123 592505547 /nfs/dbraw/zinc/50/55/47/592505547.db2.gz QJEUZYXSQAKKSZ-UHFFFAOYSA-N 1 2 244.298 1.817 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000887472140 592512014 /nfs/dbraw/zinc/51/20/14/592512014.db2.gz SQLMNYOHFBHKHI-RYUDHWBXSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000887472140 592512017 /nfs/dbraw/zinc/51/20/17/592512017.db2.gz SQLMNYOHFBHKHI-RYUDHWBXSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000887477772 592512817 /nfs/dbraw/zinc/51/28/17/592512817.db2.gz ZHPWHEWTWNDNAN-QWRGUYRKSA-N 1 2 249.314 1.026 20 0 BDADLO CCn1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000887552752 592524668 /nfs/dbraw/zinc/52/46/68/592524668.db2.gz PTMDGLZVEBDADA-LLVKDONJSA-N 1 2 246.318 1.358 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(C2CC2)CC1 ZINC000887717945 592545247 /nfs/dbraw/zinc/54/52/47/592545247.db2.gz KTHRZAMYCMXLFY-UHFFFAOYSA-N 1 2 219.288 1.190 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]2CCNC2=O)c(C)[nH+]1 ZINC000889464448 592613411 /nfs/dbraw/zinc/61/34/11/592613411.db2.gz HETGAGFXHCXRHM-JTQLQIEISA-N 1 2 247.298 1.163 20 0 BDADLO CCc1cc(C(=O)Nc2cc(C)[nH+]cc2C)no1 ZINC000889792705 592653534 /nfs/dbraw/zinc/65/35/34/592653534.db2.gz KNKHSURPKAHJCP-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCC2(C)C)c1 ZINC000890103048 592679908 /nfs/dbraw/zinc/67/99/08/592679908.db2.gz FMBZZAWOBPGDTG-SNVBAGLBSA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104151 592680210 /nfs/dbraw/zinc/68/02/10/592680210.db2.gz IDSZDUZSEZRHBR-PSASIEDQSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104540 592681390 /nfs/dbraw/zinc/68/13/90/592681390.db2.gz ZRWMFXVJQVIFEF-SNVBAGLBSA-N 1 2 247.298 1.508 20 0 BDADLO CCCc1cc(C(=O)NCc2cn(C)c[nH+]2)no1 ZINC000890106831 592681801 /nfs/dbraw/zinc/68/18/01/592681801.db2.gz FTMNVEMZSVQQKJ-UHFFFAOYSA-N 1 2 248.286 1.291 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104854 592681906 /nfs/dbraw/zinc/68/19/06/592681906.db2.gz RQSYSMRYZDAUAI-LLVKDONJSA-N 1 2 239.319 1.097 20 0 BDADLO COCCC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109098 592683075 /nfs/dbraw/zinc/68/30/75/592683075.db2.gz BQKUDEACBVWQEO-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO C/C(=C/C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890113894 592684470 /nfs/dbraw/zinc/68/44/70/592684470.db2.gz BTNIOJZQOTWURS-UITAMQMPSA-N 1 2 219.288 1.393 20 0 BDADLO Cc1ncsc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117099 592685482 /nfs/dbraw/zinc/68/54/82/592685482.db2.gz LHNYACMPQLYDBB-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO C[C@H](CC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890114841 592685580 /nfs/dbraw/zinc/68/55/80/592685580.db2.gz ZKPUXGHLGHLCRY-SECBINFHSA-N 1 2 221.304 1.473 20 0 BDADLO CC/C=C(/C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114455 592685866 /nfs/dbraw/zinc/68/58/66/592685866.db2.gz LRDCKYALSAFHRF-UITAMQMPSA-N 1 2 207.277 1.393 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229934374 597248573 /nfs/dbraw/zinc/24/85/73/597248573.db2.gz HTXNFVYKEQPXOT-ZJUUUORDSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229934374 597248574 /nfs/dbraw/zinc/24/85/74/597248574.db2.gz HTXNFVYKEQPXOT-ZJUUUORDSA-N 1 2 226.320 1.066 20 0 BDADLO CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CC(=O)[O-] ZINC000049555716 598215731 /nfs/dbraw/zinc/21/57/31/598215731.db2.gz MOOSAKWDRKQWJI-GHMZBOCLSA-N 1 2 230.352 1.416 20 0 BDADLO CCc1cc(N(CCO)C2CCC2)nc(CC)[nH+]1 ZINC000893387145 634384159 /nfs/dbraw/zinc/38/41/59/634384159.db2.gz AKPWISUSZHLMEN-UHFFFAOYSA-N 1 2 249.358 1.953 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000162886078 635149696 /nfs/dbraw/zinc/14/96/96/635149696.db2.gz CKKHRMYGBUCGJY-QWRGUYRKSA-N 1 2 229.320 1.200 20 0 BDADLO C/C=C/[C@@H](O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000909391812 634601337 /nfs/dbraw/zinc/60/13/37/634601337.db2.gz XMWDCKWCBPBBPN-ZYOFXKKJSA-N 1 2 234.299 1.252 20 0 BDADLO c1nn[nH]c1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931929350 635461781 /nfs/dbraw/zinc/46/17/81/635461781.db2.gz ZUXNPKHMSQVRTQ-GXTWGEPZSA-N 1 2 240.310 1.578 20 0 BDADLO c1nn[nH]c1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931929350 635461786 /nfs/dbraw/zinc/46/17/86/635461786.db2.gz ZUXNPKHMSQVRTQ-GXTWGEPZSA-N 1 2 240.310 1.578 20 0 BDADLO c1[nH]nnc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931929350 635461792 /nfs/dbraw/zinc/46/17/92/635461792.db2.gz ZUXNPKHMSQVRTQ-GXTWGEPZSA-N 1 2 240.310 1.578 20 0 BDADLO c1[nH]nnc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931929350 635461798 /nfs/dbraw/zinc/46/17/98/635461798.db2.gz ZUXNPKHMSQVRTQ-GXTWGEPZSA-N 1 2 240.310 1.578 20 0 BDADLO c1n[nH]nc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931929350 635461804 /nfs/dbraw/zinc/46/18/04/635461804.db2.gz ZUXNPKHMSQVRTQ-GXTWGEPZSA-N 1 2 240.310 1.578 20 0 BDADLO c1n[nH]nc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931929350 635461807 /nfs/dbraw/zinc/46/18/07/635461807.db2.gz ZUXNPKHMSQVRTQ-GXTWGEPZSA-N 1 2 240.310 1.578 20 0 BDADLO CCOCCCNc1cc(N(C)C)nc[nH+]1 ZINC000891435378 631249956 /nfs/dbraw/zinc/24/99/56/631249956.db2.gz BCFGBUSHWUOCPY-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO CCOCCCNc1cc(N(C)C)[nH+]cn1 ZINC000891435378 631249970 /nfs/dbraw/zinc/24/99/70/631249970.db2.gz BCFGBUSHWUOCPY-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO COC[C@H]1COCC[N@@H+]1CCc1ccns1 ZINC000933326642 631259211 /nfs/dbraw/zinc/25/92/11/631259211.db2.gz FDFIWLSLQPIPTM-JTQLQIEISA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@H]1COCC[N@H+]1CCc1ccns1 ZINC000933326642 631259216 /nfs/dbraw/zinc/25/92/16/631259216.db2.gz FDFIWLSLQPIPTM-JTQLQIEISA-N 1 2 242.344 1.033 20 0 BDADLO C[C@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000290311915 631275751 /nfs/dbraw/zinc/27/57/51/631275751.db2.gz YNPZNWNAQQRUGM-JTQLQIEISA-N 1 2 236.319 1.362 20 0 BDADLO COC[C@H]1COCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000933337239 631281590 /nfs/dbraw/zinc/28/15/90/631281590.db2.gz UFSYATNWYWEFOM-NSHDSACASA-N 1 2 243.347 1.339 20 0 BDADLO COC[C@H]1COCC[N@H+]1CCC(=O)C(C)(C)C ZINC000933337239 631281593 /nfs/dbraw/zinc/28/15/93/631281593.db2.gz UFSYATNWYWEFOM-NSHDSACASA-N 1 2 243.347 1.339 20 0 BDADLO Nc1ccc(CNC(=O)[C@H]2CC=CCC2)c[nH+]1 ZINC000308376325 631312772 /nfs/dbraw/zinc/31/27/72/631312772.db2.gz NBLVFRBVAPHEND-NSHDSACASA-N 1 2 231.299 1.636 20 0 BDADLO CC[N@H+](CCOCCO)C/C(Cl)=C\Cl ZINC000308466047 631355253 /nfs/dbraw/zinc/35/52/53/631355253.db2.gz XGANJLSEUAEROK-VQHVLOKHSA-N 1 2 242.146 1.636 20 0 BDADLO CC[N@@H+](CCOCCO)C/C(Cl)=C\Cl ZINC000308466047 631355256 /nfs/dbraw/zinc/35/52/56/631355256.db2.gz XGANJLSEUAEROK-VQHVLOKHSA-N 1 2 242.146 1.636 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](C)CCOC ZINC000891573788 631395595 /nfs/dbraw/zinc/39/55/95/631395595.db2.gz JTSOEHXKSBOCMH-UHFFFAOYSA-N 1 2 231.727 1.704 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](C)CCOC ZINC000891573788 631395601 /nfs/dbraw/zinc/39/56/01/631395601.db2.gz JTSOEHXKSBOCMH-UHFFFAOYSA-N 1 2 231.727 1.704 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC000082339406 631403554 /nfs/dbraw/zinc/40/35/54/631403554.db2.gz WHQFKPWNQAGVHL-QMMMGPOBSA-N 1 2 209.249 1.016 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC000082339406 631403558 /nfs/dbraw/zinc/40/35/58/631403558.db2.gz WHQFKPWNQAGVHL-QMMMGPOBSA-N 1 2 209.249 1.016 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C=C1CCCCC1 ZINC000291109878 631563168 /nfs/dbraw/zinc/56/31/68/631563168.db2.gz CKXMLTMOLSFQEB-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO CNC(=O)c1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000093305774 631566790 /nfs/dbraw/zinc/56/67/90/631566790.db2.gz OWXAYRSHYSRAIQ-UHFFFAOYSA-N 1 2 245.282 1.324 20 0 BDADLO CCONC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050666 631567495 /nfs/dbraw/zinc/56/74/95/631567495.db2.gz QPWKMZGOWKBJEI-UHFFFAOYSA-N 1 2 231.255 1.554 20 0 BDADLO CNc1cc(N[C@H]2CCO[C@@H](C)C2)[nH+]cn1 ZINC000234533910 631568568 /nfs/dbraw/zinc/56/85/68/631568568.db2.gz ICJWUFNTMOTIFK-IUCAKERBSA-N 1 2 222.292 1.498 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934012636 631591883 /nfs/dbraw/zinc/59/18/83/631591883.db2.gz CDVHINHNVDTWJQ-VIFPVBQESA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CC[C@H]2CO)c1 ZINC000934012636 631591890 /nfs/dbraw/zinc/59/18/90/631591890.db2.gz CDVHINHNVDTWJQ-VIFPVBQESA-N 1 2 241.312 1.101 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000934019336 631616343 /nfs/dbraw/zinc/61/63/43/631616343.db2.gz OZTIDJQGHBOMQE-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000934019336 631616353 /nfs/dbraw/zinc/61/63/53/631616353.db2.gz OZTIDJQGHBOMQE-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CO ZINC000934031649 631631779 /nfs/dbraw/zinc/63/17/79/631631779.db2.gz QYJCCELINLJLDG-NEPJUHHUSA-N 1 2 248.326 1.389 20 0 BDADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]1CO ZINC000934031649 631631780 /nfs/dbraw/zinc/63/17/80/631631780.db2.gz QYJCCELINLJLDG-NEPJUHHUSA-N 1 2 248.326 1.389 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(C)(Cl)Cl ZINC000291184163 631638195 /nfs/dbraw/zinc/63/81/95/631638195.db2.gz KARLUMRRCUWCBG-UHFFFAOYSA-N 1 2 236.102 1.230 20 0 BDADLO CS/C=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000308806066 631667197 /nfs/dbraw/zinc/66/71/97/631667197.db2.gz AYCBQNNADPDCDC-HYXAFXHYSA-N 1 2 224.285 1.584 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000308841733 631690509 /nfs/dbraw/zinc/69/05/09/631690509.db2.gz NORBJZSQRUQEBT-APPZFPTMSA-N 1 2 206.245 1.363 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ncc(Cl)n1C ZINC000934126230 631703006 /nfs/dbraw/zinc/70/30/06/631703006.db2.gz ORNLIJCVZOYIMR-DTWKUNHWSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ncc(Cl)n1C ZINC000934126230 631703011 /nfs/dbraw/zinc/70/30/11/631703011.db2.gz ORNLIJCVZOYIMR-DTWKUNHWSA-N 1 2 243.738 1.683 20 0 BDADLO O[C@H]1CC[N@H+](CCc2cncs2)C[C@@H]1F ZINC000934563633 631927042 /nfs/dbraw/zinc/92/70/42/631927042.db2.gz FPOTXLYOXAPALN-UWVGGRQHSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2cncs2)C[C@@H]1F ZINC000934563633 631927047 /nfs/dbraw/zinc/92/70/47/631927047.db2.gz FPOTXLYOXAPALN-UWVGGRQHSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1F ZINC000934570257 631940507 /nfs/dbraw/zinc/94/05/07/631940507.db2.gz JCVLWOAKSAYVRQ-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1F ZINC000934570257 631940514 /nfs/dbraw/zinc/94/05/14/631940514.db2.gz JCVLWOAKSAYVRQ-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO CC[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000308864638 631987126 /nfs/dbraw/zinc/98/71/26/631987126.db2.gz WMRGRSUTRZMHCE-QMMMGPOBSA-N 1 2 208.261 1.753 20 0 BDADLO CC[C@H](O)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000218805327 632073454 /nfs/dbraw/zinc/07/34/54/632073454.db2.gz FCSGMQYJVVPKEM-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1cc(Cl)cn1 ZINC000158540865 635699847 /nfs/dbraw/zinc/69/98/47/635699847.db2.gz QWPIJELTNORWJH-ZACCUICWSA-N 1 2 241.722 1.482 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(Cl)cn1 ZINC000158540865 635699849 /nfs/dbraw/zinc/69/98/49/635699849.db2.gz QWPIJELTNORWJH-ZACCUICWSA-N 1 2 241.722 1.482 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H](C)O1 ZINC000251948718 635705858 /nfs/dbraw/zinc/70/58/58/635705858.db2.gz VFHJSTOWGOBVDI-OHINUGQQSA-N 1 2 219.712 1.475 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H](C)O1 ZINC000251948718 635705862 /nfs/dbraw/zinc/70/58/62/635705862.db2.gz VFHJSTOWGOBVDI-OHINUGQQSA-N 1 2 219.712 1.475 20 0 BDADLO C[C@@H]([NH2+]CC1(O)CCC1)C(=O)OC(C)(C)C ZINC000131187895 632454329 /nfs/dbraw/zinc/45/43/29/632454329.db2.gz UQSJWHXCJRZQKJ-SECBINFHSA-N 1 2 229.320 1.221 20 0 BDADLO CNc1cc(N2CC[C@H](O)C(C)(C)C2)nc[nH+]1 ZINC000310172446 632705344 /nfs/dbraw/zinc/70/53/44/632705344.db2.gz PSNUNUNXWSTNQD-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CC[C@H](O)C(C)(C)C2)[nH+]cn1 ZINC000310172446 632705353 /nfs/dbraw/zinc/70/53/53/632705353.db2.gz PSNUNUNXWSTNQD-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CC(C)(F)C(=O)NCCCCn1cc[nH+]c1 ZINC000309185966 632713296 /nfs/dbraw/zinc/71/32/96/632713296.db2.gz HEOYVCGRBDOQFO-UHFFFAOYSA-N 1 2 227.283 1.528 20 0 BDADLO CC[C@H]1CN(c2nccn3c[nH+]cc23)C[C@H](C)O1 ZINC000892462223 632731844 /nfs/dbraw/zinc/73/18/44/632731844.db2.gz MUDKQICBKXVSCH-QWRGUYRKSA-N 1 2 246.314 1.733 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000309237274 632831360 /nfs/dbraw/zinc/83/13/60/632831360.db2.gz JSDVYQDVBJCKTF-SKDRFNHKSA-N 1 2 229.320 1.343 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000309274836 632877011 /nfs/dbraw/zinc/87/70/11/632877011.db2.gz DPHFFZKTKKSNJN-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000309274836 632877015 /nfs/dbraw/zinc/87/70/15/632877015.db2.gz DPHFFZKTKKSNJN-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H]1C[N@@H+](C2CC(OC(C)(C)C)C2)CC(=O)N1 ZINC000334680007 635863778 /nfs/dbraw/zinc/86/37/78/635863778.db2.gz CPSIHSXQBUOFPR-WHXUTIOJSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CC(=O)N1 ZINC000334680007 635863782 /nfs/dbraw/zinc/86/37/82/635863782.db2.gz CPSIHSXQBUOFPR-WHXUTIOJSA-N 1 2 240.347 1.153 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2ccnn2C)on1 ZINC000879687769 635871173 /nfs/dbraw/zinc/87/11/73/635871173.db2.gz WTTXGGUUJAITAI-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO CC[C@H](COC)Nc1cc(N(C)C)nc[nH+]1 ZINC000892622912 633021847 /nfs/dbraw/zinc/02/18/47/633021847.db2.gz VCVOKROJYXZGOD-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO CC[C@H](COC)Nc1cc(N(C)C)[nH+]cn1 ZINC000892622912 633021851 /nfs/dbraw/zinc/02/18/51/633021851.db2.gz VCVOKROJYXZGOD-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO CC1(C)COCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935812452 633026149 /nfs/dbraw/zinc/02/61/49/633026149.db2.gz HOTXPGZPMVMJSS-UHFFFAOYSA-N 1 2 245.282 1.771 20 0 BDADLO CN(C)c1cc(N[C@H]2C=CCC2)[nH+]cn1 ZINC000894522653 635906370 /nfs/dbraw/zinc/90/63/70/635906370.db2.gz MXPQACWWWZBDRV-VIFPVBQESA-N 1 2 204.277 1.673 20 0 BDADLO CN(C)c1cc(N[C@H]2C=CCC2)nc[nH+]1 ZINC000894522653 635906375 /nfs/dbraw/zinc/90/63/75/635906375.db2.gz MXPQACWWWZBDRV-VIFPVBQESA-N 1 2 204.277 1.673 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C=CCC1 ZINC000935922447 633105478 /nfs/dbraw/zinc/10/54/78/633105478.db2.gz DLHUBVTXLRRZDX-RISCZKNCSA-N 1 2 245.326 1.670 20 0 BDADLO Cn1cncc1C[NH2+]Cc1ncc(Cl)n1C ZINC000309526398 633188736 /nfs/dbraw/zinc/18/87/36/633188736.db2.gz UYROJFRTJBVFIP-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+][C@H](C)COC ZINC000309526408 633189777 /nfs/dbraw/zinc/18/97/77/633189777.db2.gz BFXRXMBONQDLOG-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncnn2C)cc1F ZINC000080532205 633192177 /nfs/dbraw/zinc/19/21/77/633192177.db2.gz WKDGFVPHPRLULX-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000122307374 633205840 /nfs/dbraw/zinc/20/58/40/633205840.db2.gz PLYXVLUHUJVAHP-JGVFFNPUSA-N 1 2 222.292 1.090 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](O)C2(C)C)[nH+]cn1 ZINC000122307374 633205843 /nfs/dbraw/zinc/20/58/43/633205843.db2.gz PLYXVLUHUJVAHP-JGVFFNPUSA-N 1 2 222.292 1.090 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894757623 635921387 /nfs/dbraw/zinc/92/13/87/635921387.db2.gz ZESQWNIZRNGQCR-SNVBAGLBSA-N 1 2 225.336 2.000 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894757623 635921395 /nfs/dbraw/zinc/92/13/95/635921395.db2.gz ZESQWNIZRNGQCR-SNVBAGLBSA-N 1 2 225.336 2.000 20 0 BDADLO c1[nH+]cn2ccnc(N3C[C@H]4CC[C@@H](C3)O4)c12 ZINC000892749353 633215924 /nfs/dbraw/zinc/21/59/24/633215924.db2.gz CDLFGUXEXXDWLO-AOOOYVTPSA-N 1 2 230.271 1.097 20 0 BDADLO Cc1cc(C)nc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000310319204 636006998 /nfs/dbraw/zinc/00/69/98/636006998.db2.gz ZBAKVTMLKPKVCM-UHFFFAOYSA-N 1 2 233.315 1.086 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccnn1C ZINC000895033252 636017427 /nfs/dbraw/zinc/01/74/27/636017427.db2.gz FGCYQDPJHKNABL-VIFPVBQESA-N 1 2 246.318 1.449 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccnn1C ZINC000895033252 636017430 /nfs/dbraw/zinc/01/74/30/636017430.db2.gz FGCYQDPJHKNABL-VIFPVBQESA-N 1 2 246.318 1.449 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccccn1 ZINC000895117424 636063563 /nfs/dbraw/zinc/06/35/63/636063563.db2.gz SWAYZYSCQDHZNG-GARJFASQSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccn1 ZINC000895117424 636063564 /nfs/dbraw/zinc/06/35/64/636063564.db2.gz SWAYZYSCQDHZNG-GARJFASQSA-N 1 2 233.315 1.179 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1Cc2cnn(C)c2C1 ZINC000895283641 636129666 /nfs/dbraw/zinc/12/96/66/636129666.db2.gz ZXLQKRKMNLBETH-UHFFFAOYSA-N 1 2 243.314 1.222 20 0 BDADLO C[C@@H]1OCCN(c2nccn3c[nH+]cc23)[C@H]1C ZINC000892942281 633750939 /nfs/dbraw/zinc/75/09/39/633750939.db2.gz VRXABDFWKJUJHL-UWVGGRQHSA-N 1 2 232.287 1.343 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccon2)c(C2CC2)n1 ZINC000893098272 633832879 /nfs/dbraw/zinc/83/28/79/633832879.db2.gz JVOIZFFKUKGBHL-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1c(F)cncc1F ZINC000930529675 633874614 /nfs/dbraw/zinc/87/46/14/633874614.db2.gz FLSJPDNQJVTZJW-NSHDSACASA-N 1 2 242.269 1.705 20 0 BDADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1c(F)cncc1F ZINC000930529675 633874616 /nfs/dbraw/zinc/87/46/16/633874616.db2.gz FLSJPDNQJVTZJW-NSHDSACASA-N 1 2 242.269 1.705 20 0 BDADLO CC(Cl)(Cl)C(=O)NCCc1[nH]cc[nH+]1 ZINC000180369080 633889216 /nfs/dbraw/zinc/88/92/16/633889216.db2.gz ULVRHNODCUKHRZ-UHFFFAOYSA-N 1 2 236.102 1.262 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H](F)C1 ZINC000930623102 633944477 /nfs/dbraw/zinc/94/44/77/633944477.db2.gz MQXYGTWKGKQOMK-OPRDCNLKSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H](F)C1 ZINC000930623102 633944484 /nfs/dbraw/zinc/94/44/84/633944484.db2.gz MQXYGTWKGKQOMK-OPRDCNLKSA-N 1 2 217.284 1.618 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CC1(OC)CCCC1 ZINC000309972909 634004141 /nfs/dbraw/zinc/00/41/41/634004141.db2.gz QMHGVRHRQCHUAM-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO CC[C@@H]1C[C@H]1C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000930686707 634032784 /nfs/dbraw/zinc/03/27/84/634032784.db2.gz WRNBIIBMNDAITM-MDZLAQPJSA-N 1 2 243.347 1.590 20 0 BDADLO CC1(CC(=O)OCc2ccc(N)[nH+]c2)COC1 ZINC000924118932 634034619 /nfs/dbraw/zinc/03/46/19/634034619.db2.gz OJHOUQUWTNXDDF-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC2CC2)c[nH+]1 ZINC000895599437 636163905 /nfs/dbraw/zinc/16/39/05/636163905.db2.gz JTSXDSJNEOCIDK-UHFFFAOYSA-N 1 2 221.304 1.453 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC ZINC000319036695 634145910 /nfs/dbraw/zinc/14/59/10/634145910.db2.gz KLYKFMYBSYGUNL-DMDPSCGWSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@@H]([NH2+]CC(C)(C)SC)C(=O)OC ZINC000186386834 635161774 /nfs/dbraw/zinc/16/17/74/635161774.db2.gz XHSAZNMBEWIQAR-MRVPVSSYSA-N 1 2 219.350 1.669 20 0 BDADLO CNc1cc(N[C@@H]2CCOC(C)(C)C2)[nH+]cn1 ZINC000216281527 635206284 /nfs/dbraw/zinc/20/62/84/635206284.db2.gz JCUVDABPVHCNNE-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO COC(=O)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000259069621 635239932 /nfs/dbraw/zinc/23/99/32/635239932.db2.gz XDMZSYGCHKWMSJ-UHFFFAOYSA-N 1 2 247.254 1.373 20 0 BDADLO CCc1cc(N[C@@H](CO)COC)nc(CC)[nH+]1 ZINC000893620442 635273313 /nfs/dbraw/zinc/27/33/13/635273313.db2.gz CGZBBGPVCVETTC-JTQLQIEISA-N 1 2 239.319 1.021 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000259980764 635282227 /nfs/dbraw/zinc/28/22/27/635282227.db2.gz KOGXCAQCRKOIOC-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000259980764 635282237 /nfs/dbraw/zinc/28/22/37/635282237.db2.gz KOGXCAQCRKOIOC-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO CC(C)C[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000224289785 635386803 /nfs/dbraw/zinc/38/68/03/635386803.db2.gz FZKZTDXJFDDHBC-VIFPVBQESA-N 1 2 249.318 1.182 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCc3cccnc32)n[nH]1 ZINC000226816618 635440662 /nfs/dbraw/zinc/44/06/62/635440662.db2.gz WVAGUPGIEPRRFI-LLVKDONJSA-N 1 2 214.272 1.582 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CNOC1)c1nc2ccccc2n1C ZINC000925863199 635561739 /nfs/dbraw/zinc/56/17/39/635561739.db2.gz JXDBBYZXSSYOOP-NXEZZACHSA-N 1 2 246.314 1.127 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000163186260 636190717 /nfs/dbraw/zinc/19/07/17/636190717.db2.gz KXSFLEZXPSDELL-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000163186260 636190720 /nfs/dbraw/zinc/19/07/20/636190720.db2.gz KXSFLEZXPSDELL-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO Cc1[nH]c(CNC(=O)C2CC3(CC3)C2)[nH+]c1C ZINC000896907559 636250520 /nfs/dbraw/zinc/25/05/20/636250520.db2.gz OQPLQRZBKLFYME-UHFFFAOYSA-N 1 2 233.315 1.833 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CCCCO2)[nH+]c1C ZINC000896915225 636256361 /nfs/dbraw/zinc/25/63/61/636256361.db2.gz FEJOVMMTFTXKNT-SNVBAGLBSA-N 1 2 237.303 1.212 20 0 BDADLO CCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)COC1 ZINC000896916604 636257165 /nfs/dbraw/zinc/25/71/65/636257165.db2.gz DZGRRONXIMKGTQ-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO CCNC(=S)NC1=[NH+]N(c2ccccc2)CC1 ZINC000007622797 636349410 /nfs/dbraw/zinc/34/94/10/636349410.db2.gz OKNYDJXSTVAEIK-UHFFFAOYSA-N 1 2 248.355 1.694 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000752087322 636554201 /nfs/dbraw/zinc/55/42/01/636554201.db2.gz DREOUQJDRHOQII-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000752087322 636554208 /nfs/dbraw/zinc/55/42/08/636554208.db2.gz DREOUQJDRHOQII-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO Cc1nc(N2C[C@@H]3CSC[C@]3(C)C2)cc[nH+]1 ZINC000897493689 636722621 /nfs/dbraw/zinc/72/26/21/636722621.db2.gz AKVNRRZWOZSQPY-PWSUYJOCSA-N 1 2 235.356 1.974 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(C3CCC3)no2)O1 ZINC000923824336 636872333 /nfs/dbraw/zinc/87/23/33/636872333.db2.gz NRBDINYFGJZZRM-SCZZXKLOSA-N 1 2 237.303 1.729 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(C3CCC3)no2)O1 ZINC000923824336 636872336 /nfs/dbraw/zinc/87/23/36/636872336.db2.gz NRBDINYFGJZZRM-SCZZXKLOSA-N 1 2 237.303 1.729 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(C)nn1 ZINC000929183424 636920225 /nfs/dbraw/zinc/92/02/25/636920225.db2.gz WFSKCFCOVJWCDG-GHMZBOCLSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(C)nn1 ZINC000929183424 636920228 /nfs/dbraw/zinc/92/02/28/636920228.db2.gz WFSKCFCOVJWCDG-GHMZBOCLSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCO[C@H]1CCOC1 ZINC000927086622 637025239 /nfs/dbraw/zinc/02/52/39/637025239.db2.gz XEWPGLQKBAMMHV-ONGXEEELSA-N 1 2 239.319 1.174 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1CC12CC2 ZINC000898502245 637046427 /nfs/dbraw/zinc/04/64/27/637046427.db2.gz CJXYKUYZJVCZNH-WDEREUQCSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1CC12CC2 ZINC000898502245 637046430 /nfs/dbraw/zinc/04/64/30/637046430.db2.gz CJXYKUYZJVCZNH-WDEREUQCSA-N 1 2 240.322 1.337 20 0 BDADLO CC(C)(CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC000898911226 637063478 /nfs/dbraw/zinc/06/34/78/637063478.db2.gz NWYRRWACPLAKTC-GDNZZTSVSA-N 1 2 247.342 1.781 20 0 BDADLO CC1(C)C(NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000900948105 637209702 /nfs/dbraw/zinc/20/97/02/637209702.db2.gz IOZSOSFNLZPUSW-UHFFFAOYSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000900927715 637213302 /nfs/dbraw/zinc/21/33/02/637213302.db2.gz PGLFOZNWKXRTMY-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901011309 637223199 /nfs/dbraw/zinc/22/31/99/637223199.db2.gz ZXSKSSJUCRKRQX-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cc(C=O)c[nH]2)[nH+]c1C ZINC000900999386 637225944 /nfs/dbraw/zinc/22/59/44/637225944.db2.gz GSMGXOJZUQAGIU-UHFFFAOYSA-N 1 2 246.270 1.097 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccco1 ZINC000042511765 637275328 /nfs/dbraw/zinc/27/53/28/637275328.db2.gz LWYZMVXEAONBOR-ZWNMCFTASA-N 1 2 245.282 1.694 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(C(C)(C)O)n1 ZINC000904263113 637394564 /nfs/dbraw/zinc/39/45/64/637394564.db2.gz QWTSATKAQIAXAG-UHFFFAOYSA-N 1 2 234.259 1.250 20 0 BDADLO CO[C@@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904267499 637395220 /nfs/dbraw/zinc/39/52/20/637395220.db2.gz DENLFPIRLKFJBS-ZETCQYMHSA-N 1 2 234.259 1.730 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CCOC2)n1 ZINC000904264542 637395423 /nfs/dbraw/zinc/39/54/23/637395423.db2.gz LGPKASIFMPCXNN-MRVPVSSYSA-N 1 2 246.270 1.526 20 0 BDADLO CN(C)c1ccccc1C[NH2+]CC1([NH3+])CC1 ZINC000904451663 637417512 /nfs/dbraw/zinc/41/75/12/637417512.db2.gz YWPQEHDJXKUCFQ-UHFFFAOYSA-N 1 2 219.332 1.334 20 0 BDADLO CC(=O)Cn1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905780776 637910045 /nfs/dbraw/zinc/91/00/45/637910045.db2.gz AFYHJAKDSRBHLI-UHFFFAOYSA-N 1 2 224.308 1.097 20 0 BDADLO CC(=O)Cn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905780776 637910049 /nfs/dbraw/zinc/91/00/49/637910049.db2.gz AFYHJAKDSRBHLI-UHFFFAOYSA-N 1 2 224.308 1.097 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000905774535 637930064 /nfs/dbraw/zinc/93/00/64/637930064.db2.gz PUFQYPNLUGMHOD-GWOFURMSSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOC2CC2)o1 ZINC000905846118 637962711 /nfs/dbraw/zinc/96/27/11/637962711.db2.gz LYRUKHPOQWLEPU-ZETCQYMHSA-N 1 2 211.265 1.208 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C2CC2)CCC1 ZINC000906197247 638113454 /nfs/dbraw/zinc/11/34/54/638113454.db2.gz ILRIWAJAHFVPKV-NSHDSACASA-N 1 2 247.342 1.968 20 0 BDADLO CC(=O)CCn1cc(C[N@H+](C)CC2CC2)nn1 ZINC000906262172 638129432 /nfs/dbraw/zinc/12/94/32/638129432.db2.gz QOAYQHYMDGPXAU-UHFFFAOYSA-N 1 2 236.319 1.099 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+](C)CC2CC2)nn1 ZINC000906262172 638129437 /nfs/dbraw/zinc/12/94/37/638129437.db2.gz QOAYQHYMDGPXAU-UHFFFAOYSA-N 1 2 236.319 1.099 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)nn1 ZINC000906318228 638138379 /nfs/dbraw/zinc/13/83/79/638138379.db2.gz WFKLHPOREZPHHF-RYUDHWBXSA-N 1 2 248.330 1.099 20 0 BDADLO CC(=O)CCn1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)nn1 ZINC000906318228 638138382 /nfs/dbraw/zinc/13/83/82/638138382.db2.gz WFKLHPOREZPHHF-RYUDHWBXSA-N 1 2 248.330 1.099 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(C2CC2)CCC1 ZINC000906697294 638234064 /nfs/dbraw/zinc/23/40/64/638234064.db2.gz NPEMPHAGHPSUQR-UHFFFAOYSA-N 1 2 245.326 1.847 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000906659900 638234077 /nfs/dbraw/zinc/23/40/77/638234077.db2.gz GPBDMRQGFICWOX-YUSALJHKSA-N 1 2 234.299 1.421 20 0 BDADLO CO[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000906905678 638267186 /nfs/dbraw/zinc/26/71/86/638267186.db2.gz UECMQUJRHMOZQS-GFCCVEGCSA-N 1 2 248.326 1.868 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC[C@@H]1CCOC1 ZINC000907346354 638352242 /nfs/dbraw/zinc/35/22/42/638352242.db2.gz TWVCKXINDIQYMB-LLVKDONJSA-N 1 2 249.314 1.036 20 0 BDADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C1CC1 ZINC000908282211 638632790 /nfs/dbraw/zinc/63/27/90/638632790.db2.gz BZBZYVVCIQYXBD-GFCCVEGCSA-N 1 2 233.315 1.599 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCCCCF ZINC000908320456 638643513 /nfs/dbraw/zinc/64/35/13/638643513.db2.gz YUJWHBCBOFYJOS-UHFFFAOYSA-N 1 2 225.267 1.359 20 0 BDADLO CC[C@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908557754 639014366 /nfs/dbraw/zinc/01/43/66/639014366.db2.gz JTYRXHDHSZQIER-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)[C@@H]1C[C@H]1C)[NH+](C)C ZINC000909299034 639190958 /nfs/dbraw/zinc/19/09/58/639190958.db2.gz URXJYFGZTFZYMK-FOGDFJRCSA-N 1 2 241.331 1.341 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)[C@@H]1C[C@@H]1C)[NH+](C)C ZINC000909299038 639191499 /nfs/dbraw/zinc/19/14/99/639191499.db2.gz URXJYFGZTFZYMK-UMNHJUIQSA-N 1 2 241.331 1.341 20 0 BDADLO CCOC[C@@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000746612500 639231302 /nfs/dbraw/zinc/23/13/02/639231302.db2.gz AYQKTQWNMAMUGZ-SNVBAGLBSA-N 1 2 242.344 1.226 20 0 BDADLO CCOC[C@@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000746612500 639231308 /nfs/dbraw/zinc/23/13/08/639231308.db2.gz AYQKTQWNMAMUGZ-SNVBAGLBSA-N 1 2 242.344 1.226 20 0 BDADLO C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CC=CCC1 ZINC000909933375 639283426 /nfs/dbraw/zinc/28/34/26/639283426.db2.gz YDBSIOYYNQROMT-GFCCVEGCSA-N 1 2 219.288 1.567 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000909922744 639288908 /nfs/dbraw/zinc/28/89/08/639288908.db2.gz KRVYEBMVXLHTFV-WOPDTQHZSA-N 1 2 245.326 1.798 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)cc(=O)[nH]1 ZINC000910606824 639481365 /nfs/dbraw/zinc/48/13/65/639481365.db2.gz VPAJNKSDDLWKPW-UHFFFAOYSA-N 1 2 246.270 1.308 20 0 BDADLO CC(=O)CN(CC(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911097838 639578375 /nfs/dbraw/zinc/57/83/75/639578375.db2.gz AIWZEDBWJNYERG-UHFFFAOYSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000911188400 639590920 /nfs/dbraw/zinc/59/09/20/639590920.db2.gz SMPOLUHYWHKKRC-MWLCHTKSSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@H]1C[C@@H]1c1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000911424116 639648193 /nfs/dbraw/zinc/64/81/93/639648193.db2.gz ANRBAYYUDCNRCV-CBAPKCEASA-N 1 2 245.286 1.437 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2nncs2)CC1 ZINC000930277466 639679147 /nfs/dbraw/zinc/67/91/47/639679147.db2.gz CSHRJQANKQZPFE-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2nncs2)CC1 ZINC000930277466 639679153 /nfs/dbraw/zinc/67/91/53/639679153.db2.gz CSHRJQANKQZPFE-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000930327850 639707926 /nfs/dbraw/zinc/70/79/26/639707926.db2.gz LWIZPBPFRVMQOS-QQFGACLNSA-N 1 2 241.331 1.070 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCOC[C@@]12CCOC2 ZINC000930327850 639707933 /nfs/dbraw/zinc/70/79/33/639707933.db2.gz LWIZPBPFRVMQOS-QQFGACLNSA-N 1 2 241.331 1.070 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)Cc1c[nH+]cn1C ZINC000911726758 639753210 /nfs/dbraw/zinc/75/32/10/639753210.db2.gz LCHASEMZVCLXHN-UHFFFAOYSA-N 1 2 239.395 1.298 20 0 BDADLO CC[C@@H]1C[N@H+](CCOC2CC2)C[C@@H](C)[S@@]1=O ZINC000930458226 639759916 /nfs/dbraw/zinc/75/99/16/639759916.db2.gz MXNNHVMICRLUMM-SIVJFFJCSA-N 1 2 245.388 1.397 20 0 BDADLO CC[C@@H]1C[N@@H+](CCOC2CC2)C[C@@H](C)[S@@]1=O ZINC000930458226 639759927 /nfs/dbraw/zinc/75/99/27/639759927.db2.gz MXNNHVMICRLUMM-SIVJFFJCSA-N 1 2 245.388 1.397 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)CCn1cc[nH+]c1 ZINC000911730291 639783326 /nfs/dbraw/zinc/78/33/26/639783326.db2.gz BYYNQEPSEVYBDF-UHFFFAOYSA-N 1 2 239.395 1.609 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930562209 639810812 /nfs/dbraw/zinc/81/08/12/639810812.db2.gz MXJPCJHDOOOEAS-RUYJGKKWSA-N 1 2 241.331 1.605 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930562209 639810813 /nfs/dbraw/zinc/81/08/13/639810813.db2.gz MXJPCJHDOOOEAS-RUYJGKKWSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H](F)C1 ZINC000930603474 639817341 /nfs/dbraw/zinc/81/73/41/639817341.db2.gz MQXYGTWKGKQOMK-IVZWLZJFSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H](F)C1 ZINC000930603474 639817342 /nfs/dbraw/zinc/81/73/42/639817342.db2.gz MQXYGTWKGKQOMK-IVZWLZJFSA-N 1 2 217.284 1.618 20 0 BDADLO CC(=O)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000930627998 639830800 /nfs/dbraw/zinc/83/08/00/639830800.db2.gz WEOFHRUPDOZDLP-JTQLQIEISA-N 1 2 233.315 1.839 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1nncs1 ZINC000930739356 639888538 /nfs/dbraw/zinc/88/85/38/639888538.db2.gz MGYWVQZSUICRMH-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1nncs1 ZINC000930739356 639888540 /nfs/dbraw/zinc/88/85/40/639888540.db2.gz MGYWVQZSUICRMH-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1cncc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000930836481 639933765 /nfs/dbraw/zinc/93/37/65/639933765.db2.gz HMANPVIFGKKWBE-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cncc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000930836481 639933772 /nfs/dbraw/zinc/93/37/72/639933772.db2.gz HMANPVIFGKKWBE-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO CC(C)[C@H](O)CC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930879785 639966734 /nfs/dbraw/zinc/96/67/34/639966734.db2.gz KPHPKYPEAOXCBL-MFKMUULPSA-N 1 2 243.347 1.467 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134382 640070588 /nfs/dbraw/zinc/07/05/88/640070588.db2.gz MXCMWWPNGKUASV-VIFPVBQESA-N 1 2 224.308 1.103 20 0 BDADLO CC(C)(O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134382 640070595 /nfs/dbraw/zinc/07/05/95/640070595.db2.gz MXCMWWPNGKUASV-VIFPVBQESA-N 1 2 224.308 1.103 20 0 BDADLO FCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140328 640074702 /nfs/dbraw/zinc/07/47/02/640074702.db2.gz KXKKZYKBLVUQLE-VIFPVBQESA-N 1 2 212.272 1.691 20 0 BDADLO FCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140328 640074707 /nfs/dbraw/zinc/07/47/07/640074707.db2.gz KXKKZYKBLVUQLE-VIFPVBQESA-N 1 2 212.272 1.691 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@H+](Cc1nncs1)C2 ZINC000931260737 640120964 /nfs/dbraw/zinc/12/09/64/640120964.db2.gz AEVQKSZUVPUDOS-GXSJLCMTSA-N 1 2 239.344 1.133 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@@H+](Cc1nncs1)C2 ZINC000931260737 640120974 /nfs/dbraw/zinc/12/09/74/640120974.db2.gz AEVQKSZUVPUDOS-GXSJLCMTSA-N 1 2 239.344 1.133 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC1=CCCC1 ZINC000912690352 640167078 /nfs/dbraw/zinc/16/70/78/640167078.db2.gz LUXPAWZMPQZKRN-UHFFFAOYSA-N 1 2 231.299 1.720 20 0 BDADLO Cc1nocc1C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931462194 640224048 /nfs/dbraw/zinc/22/40/48/640224048.db2.gz KQCFKVXRHCORKJ-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1nocc1C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931462194 640224052 /nfs/dbraw/zinc/22/40/52/640224052.db2.gz KQCFKVXRHCORKJ-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC=CC12CCCC2 ZINC000913206073 640333420 /nfs/dbraw/zinc/33/34/20/640333420.db2.gz AXMVEUAYMRJDEP-UHFFFAOYSA-N 1 2 231.299 1.663 20 0 BDADLO Cc1c[nH]c(CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000913208565 640336336 /nfs/dbraw/zinc/33/63/36/640336336.db2.gz GVUNEJNVQORSQJ-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](CC)CO ZINC000931774812 640366740 /nfs/dbraw/zinc/36/67/40/640366740.db2.gz NVAWIMAOFDRXRM-WDEREUQCSA-N 1 2 231.336 1.325 20 0 BDADLO OC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC000931746874 640348229 /nfs/dbraw/zinc/34/82/29/640348229.db2.gz JZKUXTRRXNFHKQ-MWLCHTKSSA-N 1 2 239.344 1.275 20 0 BDADLO OC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC000931746874 640348232 /nfs/dbraw/zinc/34/82/32/640348232.db2.gz JZKUXTRRXNFHKQ-MWLCHTKSSA-N 1 2 239.344 1.275 20 0 BDADLO CSC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000913424543 640367507 /nfs/dbraw/zinc/36/75/07/640367507.db2.gz ZZEKVGCOPRXNIV-UHFFFAOYSA-N 1 2 239.344 1.306 20 0 BDADLO Cn1ccc(C2CC[NH+](Cc3cnon3)CC2)n1 ZINC000932142035 640439650 /nfs/dbraw/zinc/43/96/50/640439650.db2.gz IGGDRRIZWYUMEI-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO CC(C)(C)[S@@](=O)CC[NH2+]Cc1c[nH]cn1 ZINC000164128965 640450637 /nfs/dbraw/zinc/45/06/37/640450637.db2.gz NCUISSFUEBBGMC-OAHLLOKOSA-N 1 2 229.349 1.047 20 0 BDADLO Cn1nccc1[C@H]1CCC[N@@H+]1Cc1ccno1 ZINC000932262203 640462922 /nfs/dbraw/zinc/46/29/22/640462922.db2.gz TYSRQEKFJYQDDS-GFCCVEGCSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1nccc1[C@H]1CCC[N@H+]1Cc1ccno1 ZINC000932262203 640462924 /nfs/dbraw/zinc/46/29/24/640462924.db2.gz TYSRQEKFJYQDDS-GFCCVEGCSA-N 1 2 232.287 1.745 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnns2)CCO1 ZINC000932336826 640478429 /nfs/dbraw/zinc/47/84/29/640478429.db2.gz SIKZUKYBTSXAFH-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnns2)CCO1 ZINC000932336826 640478435 /nfs/dbraw/zinc/47/84/35/640478435.db2.gz SIKZUKYBTSXAFH-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cn1ncc(Cl)c1C ZINC000156755705 640498044 /nfs/dbraw/zinc/49/80/44/640498044.db2.gz ULTVCKOABRVFQO-SNVBAGLBSA-N 1 2 243.738 1.913 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cn1ncc(Cl)c1C ZINC000156755705 640498052 /nfs/dbraw/zinc/49/80/52/640498052.db2.gz ULTVCKOABRVFQO-SNVBAGLBSA-N 1 2 243.738 1.913 20 0 BDADLO CCc1nc(C[NH2+][C@@H](C)C(C)(C)OC)no1 ZINC000932368932 640500259 /nfs/dbraw/zinc/50/02/59/640500259.db2.gz IHQVAIYGHTTZEY-QMMMGPOBSA-N 1 2 227.308 1.535 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](C)C(C)(C)OC ZINC000932371196 640500303 /nfs/dbraw/zinc/50/03/03/640500303.db2.gz YGAJSDWEGNPXRK-NXEZZACHSA-N 1 2 231.336 1.731 20 0 BDADLO CC(=O)NC1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001030040286 640532157 /nfs/dbraw/zinc/53/21/57/640532157.db2.gz ORLOGHPVYNQONU-CQSZACIVSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932476278 640543698 /nfs/dbraw/zinc/54/36/98/640543698.db2.gz YEMAUIYKPAYPRU-KKOKHZNYSA-N 1 2 247.342 1.751 20 0 BDADLO CC(F)(F)C(=O)NC1C[NH+](CCC2CC2)C1 ZINC001030051161 640545074 /nfs/dbraw/zinc/54/50/74/640545074.db2.gz UGEJRBCHXKWQJS-UHFFFAOYSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000932496044 640558324 /nfs/dbraw/zinc/55/83/24/640558324.db2.gz ABYJWRZDOSJVCF-BDAKNGLRSA-N 1 2 239.319 1.492 20 0 BDADLO O[C@H](C[N@@H+]1CCn2cccc2C1)CC(F)(F)F ZINC000932526890 640565398 /nfs/dbraw/zinc/56/53/98/640565398.db2.gz YAUXMIGZVGPJIP-JTQLQIEISA-N 1 2 248.248 1.617 20 0 BDADLO O[C@H](C[N@H+]1CCn2cccc2C1)CC(F)(F)F ZINC000932526890 640565402 /nfs/dbraw/zinc/56/54/02/640565402.db2.gz YAUXMIGZVGPJIP-JTQLQIEISA-N 1 2 248.248 1.617 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602029 640582523 /nfs/dbraw/zinc/58/25/23/640582523.db2.gz FGKRNDZFINEJLF-CQSZACIVSA-N 1 2 249.358 1.593 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602029 640582525 /nfs/dbraw/zinc/58/25/25/640582525.db2.gz FGKRNDZFINEJLF-CQSZACIVSA-N 1 2 249.358 1.593 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000932644027 640595278 /nfs/dbraw/zinc/59/52/78/640595278.db2.gz FQUWRXYTVZTTFY-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000932644027 640595280 /nfs/dbraw/zinc/59/52/80/640595280.db2.gz FQUWRXYTVZTTFY-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO CCCNc1cc(NC[C@H](C)OC)nc[nH+]1 ZINC000224734810 640633721 /nfs/dbraw/zinc/63/37/21/640633721.db2.gz OKPCRIDZOAQETP-VIFPVBQESA-N 1 2 224.308 1.745 20 0 BDADLO CCCNc1cc(NC[C@H](C)OC)[nH+]cn1 ZINC000224734810 640633729 /nfs/dbraw/zinc/63/37/29/640633729.db2.gz OKPCRIDZOAQETP-VIFPVBQESA-N 1 2 224.308 1.745 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nn(CC)nc2C)C1 ZINC000932970541 640655065 /nfs/dbraw/zinc/65/50/65/640655065.db2.gz HNSFOSLVTVGTCO-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC000932970541 640655067 /nfs/dbraw/zinc/65/50/67/640655067.db2.gz HNSFOSLVTVGTCO-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000932971838 640656429 /nfs/dbraw/zinc/65/64/29/640656429.db2.gz QHZCWYXFNMLFDA-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000932971838 640656433 /nfs/dbraw/zinc/65/64/33/640656433.db2.gz QHZCWYXFNMLFDA-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1C[N@H+](C/C(Cl)=C\Cl)C[C@@H]1O ZINC000388426521 711492619 /nfs/dbraw/zinc/49/26/19/711492619.db2.gz KTJMKIRQDABQKC-JQYRXWNASA-N 1 2 210.104 1.618 20 0 BDADLO C[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1O ZINC000388426521 711492638 /nfs/dbraw/zinc/49/26/38/711492638.db2.gz KTJMKIRQDABQKC-JQYRXWNASA-N 1 2 210.104 1.618 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccon2)[C@H](C)C1 ZINC000933169627 640674428 /nfs/dbraw/zinc/67/44/28/640674428.db2.gz ITKJOQDAJFTEKR-NXEZZACHSA-N 1 2 238.287 1.448 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccon2)[C@H](C)C1 ZINC000933169627 640674433 /nfs/dbraw/zinc/67/44/33/640674433.db2.gz ITKJOQDAJFTEKR-NXEZZACHSA-N 1 2 238.287 1.448 20 0 BDADLO CC[N@H+](Cc1ccncc1)C(C)(C)C(=O)OC ZINC000933188279 640676725 /nfs/dbraw/zinc/67/67/25/640676725.db2.gz XYYNJZZNZDJJLX-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CC[N@@H+](Cc1ccncc1)C(C)(C)C(=O)OC ZINC000933188279 640676730 /nfs/dbraw/zinc/67/67/30/640676730.db2.gz XYYNJZZNZDJJLX-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cc(C)no1 ZINC000933225466 640684484 /nfs/dbraw/zinc/68/44/84/640684484.db2.gz CAGJFTQYKXGVJX-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(C)no1 ZINC000933225466 640684488 /nfs/dbraw/zinc/68/44/88/640684488.db2.gz CAGJFTQYKXGVJX-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ccno1)C2 ZINC000933257628 640691936 /nfs/dbraw/zinc/69/19/36/640691936.db2.gz LBBJOLRWTLAHMI-UHFFFAOYSA-N 1 2 232.287 1.449 20 0 BDADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccon1 ZINC000933285278 640697979 /nfs/dbraw/zinc/69/79/79/640697979.db2.gz HEDLTWYHXNVMRY-SNVBAGLBSA-N 1 2 237.303 1.069 20 0 BDADLO c1c[nH]c(C[NH2+][C@@H]2CCc3cccnc32)n1 ZINC000226821957 640796675 /nfs/dbraw/zinc/79/66/75/640796675.db2.gz TWMGXSGVBMZFAQ-SNVBAGLBSA-N 1 2 214.272 1.582 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C(C)C)COC1 ZINC000933993871 640802316 /nfs/dbraw/zinc/80/23/16/640802316.db2.gz QUIHEDDACVMIHR-UHFFFAOYSA-N 1 2 237.303 1.007 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1[nH]ncc1C ZINC000934105621 640814093 /nfs/dbraw/zinc/81/40/93/640814093.db2.gz PMHUCRKJKOAYCM-MNOVXSKESA-N 1 2 209.293 1.327 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001030424001 640850926 /nfs/dbraw/zinc/85/09/26/640850926.db2.gz GIWWIWLKXMWUMP-UHFFFAOYSA-N 1 2 248.326 1.592 20 0 BDADLO C[C@@H](C(=O)NC1C[NH+](CCCF)C1)C1CCC1 ZINC001030506183 640888997 /nfs/dbraw/zinc/88/89/97/640888997.db2.gz DPNQPYHLMWLDGA-SNVBAGLBSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H](C(=O)NC1C[NH+](CCCF)C1)C1CCC1 ZINC001030506182 640889227 /nfs/dbraw/zinc/88/92/27/640889227.db2.gz DPNQPYHLMWLDGA-JTQLQIEISA-N 1 2 242.338 1.583 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001030563947 640918381 /nfs/dbraw/zinc/91/83/81/640918381.db2.gz ZPWDVXINRXBPCF-JLLWLGSASA-N 1 2 222.332 1.243 20 0 BDADLO C[C@H]1CSCC[N@@H+]1CN1CCSC1=O ZINC000172514544 641068403 /nfs/dbraw/zinc/06/84/03/641068403.db2.gz GELQVYXXABJOQA-QMMMGPOBSA-N 1 2 232.374 1.550 20 0 BDADLO C[C@H]1CSCC[N@H+]1CN1CCSC1=O ZINC000172514544 641068408 /nfs/dbraw/zinc/06/84/08/641068408.db2.gz GELQVYXXABJOQA-QMMMGPOBSA-N 1 2 232.374 1.550 20 0 BDADLO CCc1noc(C[N@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934131029 641083418 /nfs/dbraw/zinc/08/34/18/641083418.db2.gz IOIFCBJMLJDDKW-DTWKUNHWSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934131029 641083421 /nfs/dbraw/zinc/08/34/21/641083421.db2.gz IOIFCBJMLJDDKW-DTWKUNHWSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CC[C@@H]2OC)o1 ZINC000934125454 641085961 /nfs/dbraw/zinc/08/59/61/641085961.db2.gz GXTSOHSLUZIJJO-IUCAKERBSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)o1 ZINC000934125454 641085963 /nfs/dbraw/zinc/08/59/63/641085963.db2.gz GXTSOHSLUZIJJO-IUCAKERBSA-N 1 2 225.292 1.241 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000934123012 641086868 /nfs/dbraw/zinc/08/68/68/641086868.db2.gz IZHRIEJODAEZSP-FXBDTBDDSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000934123012 641086873 /nfs/dbraw/zinc/08/68/73/641086873.db2.gz IZHRIEJODAEZSP-FXBDTBDDSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(C)c(C)o1 ZINC000934127198 641087734 /nfs/dbraw/zinc/08/77/34/641087734.db2.gz STFHZIPINLCHGD-GHMZBOCLSA-N 1 2 224.304 1.901 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000934127198 641087736 /nfs/dbraw/zinc/08/77/36/641087736.db2.gz STFHZIPINLCHGD-GHMZBOCLSA-N 1 2 224.304 1.901 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934234382 641111835 /nfs/dbraw/zinc/11/18/35/641111835.db2.gz LRDUMRFUVVHVEV-WDEREUQCSA-N 1 2 236.315 1.554 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@H](OCC)C1 ZINC000932974189 641170674 /nfs/dbraw/zinc/17/06/74/641170674.db2.gz OJZYMNQZOQBCTG-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@H](OCC)C1 ZINC000932974189 641170679 /nfs/dbraw/zinc/17/06/79/641170679.db2.gz OJZYMNQZOQBCTG-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO Cl/C=C\C[N@@H+]1CCOCC12CCC2 ZINC000255229526 641172506 /nfs/dbraw/zinc/17/25/06/641172506.db2.gz GVWYFWVHEUQRPE-DJWKRKHSSA-N 1 2 201.697 1.994 20 0 BDADLO Cl/C=C\C[N@H+]1CCOCC12CCC2 ZINC000255229526 641172510 /nfs/dbraw/zinc/17/25/10/641172510.db2.gz GVWYFWVHEUQRPE-DJWKRKHSSA-N 1 2 201.697 1.994 20 0 BDADLO Cc1cc(C(N)=[NH+]OCc2ccno2)ccc1F ZINC000063457713 641176982 /nfs/dbraw/zinc/17/69/82/641176982.db2.gz JPSTXRQLJHEETL-UHFFFAOYSA-N 1 2 249.245 1.959 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934571169 641200230 /nfs/dbraw/zinc/20/02/30/641200230.db2.gz PNYMYMLXYZBQSB-CKYFFXLPSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934571169 641200236 /nfs/dbraw/zinc/20/02/36/641200236.db2.gz PNYMYMLXYZBQSB-CKYFFXLPSA-N 1 2 224.279 1.547 20 0 BDADLO CCOC(=O)C[N@H+](CC(C)C)CC(OC)OC ZINC000160708135 641201582 /nfs/dbraw/zinc/20/15/82/641201582.db2.gz DMLJLGOQZPUCAB-UHFFFAOYSA-N 1 2 247.335 1.126 20 0 BDADLO CCOC(=O)C[N@@H+](CC(C)C)CC(OC)OC ZINC000160708135 641201588 /nfs/dbraw/zinc/20/15/88/641201588.db2.gz DMLJLGOQZPUCAB-UHFFFAOYSA-N 1 2 247.335 1.126 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cccs1)C1CC1 ZINC000231789052 641204299 /nfs/dbraw/zinc/20/42/99/641204299.db2.gz FMFLAXWLZOIHMW-LLVKDONJSA-N 1 2 239.340 1.832 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3ncccc3o2)C1 ZINC001030692422 641254158 /nfs/dbraw/zinc/25/41/58/641254158.db2.gz PLASWZQHDSNLBF-UHFFFAOYSA-N 1 2 245.282 1.262 20 0 BDADLO COCCC[NH2+]C(C)(C)C(=O)OC(C)C ZINC000934816436 641279003 /nfs/dbraw/zinc/27/90/03/641279003.db2.gz GUVLMVUVMDQEEV-UHFFFAOYSA-N 1 2 217.309 1.343 20 0 BDADLO NC(=O)CC1([NH2+]Cc2ccn[nH]2)CCCCC1 ZINC000934822181 641281699 /nfs/dbraw/zinc/28/16/99/641281699.db2.gz OHPRFHKPUQAMCY-UHFFFAOYSA-N 1 2 236.319 1.078 20 0 BDADLO CC[NH+]1CC(NC(=O)c2occ3c2CCC3)C1 ZINC001030745666 641330226 /nfs/dbraw/zinc/33/02/26/641330226.db2.gz OQXNMGUBXSNMTP-UHFFFAOYSA-N 1 2 234.299 1.202 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001030765561 641341758 /nfs/dbraw/zinc/34/17/58/641341758.db2.gz IBVMLZKQTJLMLL-UHFFFAOYSA-N 1 2 249.339 1.663 20 0 BDADLO COC1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935169799 641355108 /nfs/dbraw/zinc/35/51/08/641355108.db2.gz GIOXHCNJYMBQKM-UHFFFAOYSA-N 1 2 245.282 1.424 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001030871200 641392143 /nfs/dbraw/zinc/39/21/43/641392143.db2.gz AJBFTTXJDPGTNZ-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001030873873 641394088 /nfs/dbraw/zinc/39/40/88/641394088.db2.gz XKUHUMLLNUCEPU-JQWIXIFHSA-N 1 2 224.348 1.633 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001030896721 641407016 /nfs/dbraw/zinc/40/70/16/641407016.db2.gz DJXOTPKYUHNWGE-RYUDHWBXSA-N 1 2 236.359 1.799 20 0 BDADLO CS(C)(=O)=NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913639306 641441221 /nfs/dbraw/zinc/44/12/21/641441221.db2.gz UTNCTESJPRGGDX-ZJUUUORDSA-N 1 2 244.360 1.258 20 0 BDADLO CS(C)(=O)=NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913639306 641441225 /nfs/dbraw/zinc/44/12/25/641441225.db2.gz UTNCTESJPRGGDX-ZJUUUORDSA-N 1 2 244.360 1.258 20 0 BDADLO C[C@H](CC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913718796 641462573 /nfs/dbraw/zinc/46/25/73/641462573.db2.gz GANXMAQRVSZQDT-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC[C@]12C[C@H]1CCC2 ZINC000913899625 641514473 /nfs/dbraw/zinc/51/44/73/641514473.db2.gz FULONZKHSCHSGN-YPMHNXCESA-N 1 2 248.330 1.373 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)cccc2C)C1 ZINC001030998755 641574495 /nfs/dbraw/zinc/57/44/95/641574495.db2.gz FNLMEHSLZSEBNV-UHFFFAOYSA-N 1 2 232.327 1.737 20 0 BDADLO CC[C@H](C)[C@H](Nc1cc[nH+]c(C)n1)C(N)=O ZINC000152516406 641606404 /nfs/dbraw/zinc/60/64/04/641606404.db2.gz TVLUDOBXIYOCAD-XVKPBYJWSA-N 1 2 222.292 1.097 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC000159344584 641677942 /nfs/dbraw/zinc/67/79/42/641677942.db2.gz PUJVFFYUXXFCHV-QMMMGPOBSA-N 1 2 234.259 1.086 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914432770 641702057 /nfs/dbraw/zinc/70/20/57/641702057.db2.gz DNAQWVDZKBJQGJ-RYUDHWBXSA-N 1 2 221.304 1.233 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000153212355 641732128 /nfs/dbraw/zinc/73/21/28/641732128.db2.gz JTHTUWVEVSMGOT-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC001031176971 641774695 /nfs/dbraw/zinc/77/46/95/641774695.db2.gz ZEIPQSYELKWUPN-STQMWFEESA-N 1 2 236.359 1.633 20 0 BDADLO CCC[C@@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000835349820 641793153 /nfs/dbraw/zinc/79/31/53/641793153.db2.gz LJSXXVUQCIGDSS-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO CC[C@H]1C[C@@H](C(=O)NC2C[NH+](CC)C2)CCO1 ZINC001031216687 641824451 /nfs/dbraw/zinc/82/44/51/641824451.db2.gz XWCUVINQLZENHB-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CON(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000915657249 641849894 /nfs/dbraw/zinc/84/98/94/641849894.db2.gz YWGQHVFAAYZEPQ-UHFFFAOYSA-N 1 2 245.282 1.565 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000191077945 641900708 /nfs/dbraw/zinc/90/07/08/641900708.db2.gz PGCXIOQHELHKKZ-QWRGUYRKSA-N 1 2 247.360 1.044 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000191077945 641900715 /nfs/dbraw/zinc/90/07/15/641900715.db2.gz PGCXIOQHELHKKZ-QWRGUYRKSA-N 1 2 247.360 1.044 20 0 BDADLO CC(=O)OCCSc1nc(N)cc(C)[nH+]1 ZINC000916177331 641916233 /nfs/dbraw/zinc/91/62/33/641916233.db2.gz RTWSKNPNNLFCPS-UHFFFAOYSA-N 1 2 227.289 1.022 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(-c3ccoc3)no2)O1 ZINC000924008003 642006158 /nfs/dbraw/zinc/00/61/58/642006158.db2.gz MADFQDVJPKNISO-SCZZXKLOSA-N 1 2 249.270 1.721 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ccoc3)no2)O1 ZINC000924008003 642006162 /nfs/dbraw/zinc/00/61/62/642006162.db2.gz MADFQDVJPKNISO-SCZZXKLOSA-N 1 2 249.270 1.721 20 0 BDADLO Cc1nc(N[C@](C)(CO)C2CC2)cc[nH+]1 ZINC000154292869 642018726 /nfs/dbraw/zinc/01/87/26/642018726.db2.gz DLRLGXCJTDLPQU-LLVKDONJSA-N 1 2 207.277 1.358 20 0 BDADLO O=C(NNc1cc[nH+]cc1Cl)c1cocn1 ZINC000154482353 642109754 /nfs/dbraw/zinc/10/97/54/642109754.db2.gz OJUACVDQISNJFL-UHFFFAOYSA-N 1 2 238.634 1.480 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001031447266 642164270 /nfs/dbraw/zinc/16/42/70/642164270.db2.gz VJUJWKSPGHNWFR-GCZXYKMCSA-N 1 2 236.359 1.633 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001031468001 642180910 /nfs/dbraw/zinc/18/09/10/642180910.db2.gz JIJKECXICDMJIC-VXGBXAGGSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2cccnc2F)C1 ZINC000293776364 642394147 /nfs/dbraw/zinc/39/41/47/642394147.db2.gz NXFUDYXMRXADQK-UHFFFAOYSA-N 1 2 237.278 1.043 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031620558 642396184 /nfs/dbraw/zinc/39/61/84/642396184.db2.gz MILVPXFBYZMJQG-SNVBAGLBSA-N 1 2 228.311 1.050 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1nccs1)C2 ZINC000933256413 642426501 /nfs/dbraw/zinc/42/65/01/642426501.db2.gz CKWZPKIKXDKPSD-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CN1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000891389249 642456254 /nfs/dbraw/zinc/45/62/54/642456254.db2.gz DOYKPDARYAEGLX-UHFFFAOYSA-N 1 2 236.344 1.143 20 0 BDADLO CC[C@@H](C)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000891390733 642458039 /nfs/dbraw/zinc/45/80/39/642458039.db2.gz OTTGKPNTYKWZFE-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO CC[C@@H](C)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000891390733 642458044 /nfs/dbraw/zinc/45/80/44/642458044.db2.gz OTTGKPNTYKWZFE-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)OC(C)C ZINC000921435309 642623832 /nfs/dbraw/zinc/62/38/32/642623832.db2.gz YASNVXACEHLNMR-NSHDSACASA-N 1 2 244.335 1.232 20 0 BDADLO CCC[N@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000069062333 642825494 /nfs/dbraw/zinc/82/54/94/642825494.db2.gz YXAPKKUGGDKFAF-UHFFFAOYSA-N 1 2 232.283 1.582 20 0 BDADLO CCC[N@@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000069062333 642825497 /nfs/dbraw/zinc/82/54/97/642825497.db2.gz YXAPKKUGGDKFAF-UHFFFAOYSA-N 1 2 232.283 1.582 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001009804705 642838198 /nfs/dbraw/zinc/83/81/98/642838198.db2.gz XQDWBNVPCNGMHM-MWLCHTKSSA-N 1 2 237.303 1.254 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001009804705 642838200 /nfs/dbraw/zinc/83/82/00/642838200.db2.gz XQDWBNVPCNGMHM-MWLCHTKSSA-N 1 2 237.303 1.254 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccccc1 ZINC001009948401 642847061 /nfs/dbraw/zinc/84/70/61/642847061.db2.gz HEUGFKICHDAFQB-GFCCVEGCSA-N 1 2 236.290 1.460 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccccc1 ZINC001009948401 642847064 /nfs/dbraw/zinc/84/70/64/642847064.db2.gz HEUGFKICHDAFQB-GFCCVEGCSA-N 1 2 236.290 1.460 20 0 BDADLO CC(C)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181635963 642889237 /nfs/dbraw/zinc/88/92/37/642889237.db2.gz KOFIBLXMEHMIIR-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)[C@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181632197 642891767 /nfs/dbraw/zinc/89/17/67/642891767.db2.gz WLCBATYHLBQILK-RYUDHWBXSA-N 1 2 243.347 1.542 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1ccncc1 ZINC000069794808 642907493 /nfs/dbraw/zinc/90/74/93/642907493.db2.gz LKYIWJWNBCIYFS-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO COCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181973899 642934700 /nfs/dbraw/zinc/93/47/00/642934700.db2.gz JFYPPYKPLYFHIL-GFCCVEGCSA-N 1 2 237.299 1.479 20 0 BDADLO C#CCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181975598 642935134 /nfs/dbraw/zinc/93/51/34/642935134.db2.gz MTBUJDSXBKWPOI-LBPRGKRZSA-N 1 2 217.268 1.466 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C/Cl)C(C)(C)C1 ZINC000182214884 642972184 /nfs/dbraw/zinc/97/21/84/642972184.db2.gz AARSJZYYXYDGTP-SNAWJCMRSA-N 1 2 230.739 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C/Cl)C(C)(C)C1 ZINC000182214884 642972192 /nfs/dbraw/zinc/97/21/92/642972192.db2.gz AARSJZYYXYDGTP-SNAWJCMRSA-N 1 2 230.739 1.682 20 0 BDADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC1 ZINC000070266097 643011648 /nfs/dbraw/zinc/01/16/48/643011648.db2.gz CXZRWGKTVJWZCN-NSHDSACASA-N 1 2 235.331 1.824 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031959647 643102854 /nfs/dbraw/zinc/10/28/54/643102854.db2.gz WLVOAKFGLOQKLD-VXGBXAGGSA-N 1 2 242.338 1.440 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=CCCCO1 ZINC000072960889 643216129 /nfs/dbraw/zinc/21/61/29/643216129.db2.gz HRBZKLJJCQUOIB-JTQLQIEISA-N 1 2 235.287 1.082 20 0 BDADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C(F)(F)F ZINC000082278000 643293670 /nfs/dbraw/zinc/29/36/70/643293670.db2.gz DFXOZLXZUSMWBQ-QMMMGPOBSA-N 1 2 247.220 1.609 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cc(C#N)cs1 ZINC000085987275 643314144 /nfs/dbraw/zinc/31/41/44/643314144.db2.gz OLGKJQNGUXHXEY-UHFFFAOYSA-N 1 2 247.279 1.710 20 0 BDADLO CCOCCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000082777026 643379452 /nfs/dbraw/zinc/37/94/52/643379452.db2.gz SNTMTEHMOVKJPI-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032235187 643381046 /nfs/dbraw/zinc/38/10/46/643381046.db2.gz AUNWVJXIOIJPTJ-RYUDHWBXSA-N 1 2 249.314 1.042 20 0 BDADLO CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032235187 643381052 /nfs/dbraw/zinc/38/10/52/643381052.db2.gz AUNWVJXIOIJPTJ-RYUDHWBXSA-N 1 2 249.314 1.042 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC000082791752 643382904 /nfs/dbraw/zinc/38/29/04/643382904.db2.gz WWCQHJONYWJXDK-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2c(C)cccc2C1 ZINC000082791752 643382906 /nfs/dbraw/zinc/38/29/06/643382906.db2.gz WWCQHJONYWJXDK-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO O=C(C1=COCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000734125458 643491018 /nfs/dbraw/zinc/49/10/18/643491018.db2.gz ODNBIIXMGHHPQG-UHFFFAOYSA-N 1 2 247.298 1.351 20 0 BDADLO CCOC[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000734674118 643507280 /nfs/dbraw/zinc/50/72/80/643507280.db2.gz YOITZQHXCHMUIM-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000734674118 643507284 /nfs/dbraw/zinc/50/72/84/643507284.db2.gz YOITZQHXCHMUIM-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO CCOC[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000734674118 643507292 /nfs/dbraw/zinc/50/72/92/643507292.db2.gz YOITZQHXCHMUIM-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000734674118 643507295 /nfs/dbraw/zinc/50/72/95/643507295.db2.gz YOITZQHXCHMUIM-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ccon2)s1 ZINC000084050388 643547006 /nfs/dbraw/zinc/54/70/06/643547006.db2.gz XKRMXZVCOVMNSH-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO C=C=CCNC(=O)CCCn1cc[nH+]c1 ZINC000816699998 643560042 /nfs/dbraw/zinc/56/00/42/643560042.db2.gz KCJHNKIFJSBMSM-UHFFFAOYSA-N 1 2 205.261 1.121 20 0 BDADLO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000049948593 643563386 /nfs/dbraw/zinc/56/33/86/643563386.db2.gz WEOBJQFDFKDQNS-QWRGUYRKSA-N 1 2 209.293 1.375 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cncnc1 ZINC000488365989 643607034 /nfs/dbraw/zinc/60/70/34/643607034.db2.gz KIHRAJACBUMKQK-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cncnc1 ZINC000488365989 643607040 /nfs/dbraw/zinc/60/70/40/643607040.db2.gz KIHRAJACBUMKQK-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nccs1 ZINC000049236035 643613238 /nfs/dbraw/zinc/61/32/38/643613238.db2.gz HBYJDTCZBHBIPI-MRVPVSSYSA-N 1 2 208.290 1.840 20 0 BDADLO Cc1ccccc1OCC[N@@H+](C)[C@H]1CCOC1=O ZINC000073645822 643759106 /nfs/dbraw/zinc/75/91/06/643759106.db2.gz GBLVMHQWNGNWEH-LBPRGKRZSA-N 1 2 249.310 1.621 20 0 BDADLO Cc1ccccc1OCC[N@H+](C)[C@H]1CCOC1=O ZINC000073645822 643759112 /nfs/dbraw/zinc/75/91/12/643759112.db2.gz GBLVMHQWNGNWEH-LBPRGKRZSA-N 1 2 249.310 1.621 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnn(C3CCC3)c2)n1 ZINC000921949090 643831856 /nfs/dbraw/zinc/83/18/56/643831856.db2.gz VPSYHIBZGGOHID-UHFFFAOYSA-N 1 2 245.330 1.631 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cc[nH]c(=O)c2)n1 ZINC000922112498 643864510 /nfs/dbraw/zinc/86/45/10/643864510.db2.gz DXSJMTJAYQXPLO-UHFFFAOYSA-N 1 2 248.286 1.504 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1csnn1 ZINC000922185360 643896817 /nfs/dbraw/zinc/89/68/17/643896817.db2.gz WQWQGBRQOPXGCT-SSDOTTSWSA-N 1 2 236.300 1.490 20 0 BDADLO Cc1noc(C)c1[C@H](C)N[C@H]1CC[N@H+](C)C1 ZINC000086109792 643910357 /nfs/dbraw/zinc/91/03/57/643910357.db2.gz ZPJYURSOCFZHNR-KWQFWETISA-N 1 2 223.320 1.646 20 0 BDADLO Cc1noc(C)c1[C@H](C)N[C@H]1CC[N@@H+](C)C1 ZINC000086109792 643910362 /nfs/dbraw/zinc/91/03/62/643910362.db2.gz ZPJYURSOCFZHNR-KWQFWETISA-N 1 2 223.320 1.646 20 0 BDADLO CCc1cc(C(=O)OCc2ccc(N)[nH+]c2)n[nH]1 ZINC000922329932 643972045 /nfs/dbraw/zinc/97/20/45/643972045.db2.gz NVRSFSKDGBYXNP-UHFFFAOYSA-N 1 2 246.270 1.306 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922362783 643980095 /nfs/dbraw/zinc/98/00/95/643980095.db2.gz DOARMXMXPDIGOK-UWVGGRQHSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCCOC1 ZINC000922412293 643988745 /nfs/dbraw/zinc/98/87/45/643988745.db2.gz NQROYSTZDMDMOJ-SNVBAGLBSA-N 1 2 236.271 1.134 20 0 BDADLO C/C=C(/C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922511676 644010063 /nfs/dbraw/zinc/01/00/63/644010063.db2.gz JKMJUYLYWANZPZ-BAQGIRSFSA-N 1 2 206.245 1.673 20 0 BDADLO OC[C@H](CCc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000922545056 644018854 /nfs/dbraw/zinc/01/88/54/644018854.db2.gz YUDPNTHIHVRBBL-AWEZNQCLSA-N 1 2 245.326 1.493 20 0 BDADLO CC(C)c1c[nH]c(CNC[C@@H]2CC[N@@H+]2C)n1 ZINC000922575336 644028741 /nfs/dbraw/zinc/02/87/41/644028741.db2.gz XGBHGMCPEJJOEI-JTQLQIEISA-N 1 2 222.336 1.327 20 0 BDADLO CC(C)c1c[nH]c(CNC[C@@H]2CC[N@H+]2C)n1 ZINC000922575336 644028747 /nfs/dbraw/zinc/02/87/47/644028747.db2.gz XGBHGMCPEJJOEI-JTQLQIEISA-N 1 2 222.336 1.327 20 0 BDADLO CO[C@@H](C)CCC(=O)OCc1ccc[nH+]c1N ZINC000922600448 644039535 /nfs/dbraw/zinc/03/95/35/644039535.db2.gz RQQJCGBIKLMVDF-VIFPVBQESA-N 1 2 238.287 1.522 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000922634908 644046881 /nfs/dbraw/zinc/04/68/81/644046881.db2.gz KMCNNVJFZRNMLT-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO CC(C)[C@H](F)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922635772 644049913 /nfs/dbraw/zinc/04/99/13/644049913.db2.gz XHFQVMZMLBLWJA-JTQLQIEISA-N 1 2 226.251 1.701 20 0 BDADLO CCCSCC(=O)OCc1ccc[nH+]c1N ZINC000922661772 644059387 /nfs/dbraw/zinc/05/93/87/644059387.db2.gz DEKJZHLXWKRSCA-UHFFFAOYSA-N 1 2 240.328 1.850 20 0 BDADLO C[C@]1(C(=O)OCc2ccc[nH+]c2N)CC1(F)F ZINC000922807303 644100131 /nfs/dbraw/zinc/10/01/31/644100131.db2.gz RONAIYXQQYGGPO-SNVBAGLBSA-N 1 2 242.225 1.752 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000922859253 644122818 /nfs/dbraw/zinc/12/28/18/644122818.db2.gz LQPXJDOJBJNNSF-JGPRNRPPSA-N 1 2 232.283 1.753 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1CC2(CC2)C1 ZINC000922874499 644122901 /nfs/dbraw/zinc/12/29/01/644122901.db2.gz XSSLMKLSCJEADK-UHFFFAOYSA-N 1 2 232.283 1.897 20 0 BDADLO Cc1cccc(F)c1CNC(=O)Cn1cc[nH+]c1 ZINC000074088698 644173469 /nfs/dbraw/zinc/17/34/69/644173469.db2.gz HSDKFYMESVLWEB-UHFFFAOYSA-N 1 2 247.273 1.647 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C12CC(C1)C2 ZINC000922899214 644186661 /nfs/dbraw/zinc/18/66/61/644186661.db2.gz NGYKGDCLWHECCG-UHFFFAOYSA-N 1 2 218.256 1.507 20 0 BDADLO C/C(=C\C(=O)NCCn1cc[nH+]c1)C(C)(C)C ZINC000079543340 644189231 /nfs/dbraw/zinc/18/92/31/644189231.db2.gz SJDKHMMLPMDXJF-PKNBQFBNSA-N 1 2 235.331 1.992 20 0 BDADLO CCc1oncc1C(=O)N1CC[NH+](CC)CC1 ZINC000951082796 644189462 /nfs/dbraw/zinc/18/94/62/644189462.db2.gz MXDIEDMMBMTUCQ-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CCOCC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187075564 644257582 /nfs/dbraw/zinc/25/75/82/644257582.db2.gz AIYIRZXWKTXZAQ-MRXNPFEDSA-N 1 2 241.356 1.984 20 0 BDADLO CNc1cc(NCc2csc(C)n2)nc[nH+]1 ZINC000087823453 644502951 /nfs/dbraw/zinc/50/29/51/644502951.db2.gz WHXFJCBLWITPRD-UHFFFAOYSA-N 1 2 235.316 1.895 20 0 BDADLO CNc1cc(NCc2csc(C)n2)[nH+]cn1 ZINC000087823453 644502953 /nfs/dbraw/zinc/50/29/53/644502953.db2.gz WHXFJCBLWITPRD-UHFFFAOYSA-N 1 2 235.316 1.895 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000923576899 644512510 /nfs/dbraw/zinc/51/25/10/644512510.db2.gz MPWLMQUOXLCRPP-YUSALJHKSA-N 1 2 248.282 1.042 20 0 BDADLO c1ncc(C[N@@H+]2CCC3(C2)OCCO3)s1 ZINC000093012988 644675192 /nfs/dbraw/zinc/67/51/92/644675192.db2.gz LWKIBOLNPWVCLM-UHFFFAOYSA-N 1 2 226.301 1.092 20 0 BDADLO c1ncc(C[N@H+]2CCC3(C2)OCCO3)s1 ZINC000093012988 644675196 /nfs/dbraw/zinc/67/51/96/644675196.db2.gz LWKIBOLNPWVCLM-UHFFFAOYSA-N 1 2 226.301 1.092 20 0 BDADLO Cc1noc(C)c1C(=O)OCCn1cc[nH+]c1 ZINC000771871721 644690601 /nfs/dbraw/zinc/69/06/01/644690601.db2.gz IPZKPGFASGNUNQ-UHFFFAOYSA-N 1 2 235.243 1.345 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)ccn1 ZINC000792262958 644796723 /nfs/dbraw/zinc/79/67/23/644796723.db2.gz QWUBMCFIKPIKDJ-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO C[C@@H](C(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000793238320 644802096 /nfs/dbraw/zinc/80/20/96/644802096.db2.gz MSANVHJDEIHFAI-SECBINFHSA-N 1 2 222.288 1.552 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000251768885 644820363 /nfs/dbraw/zinc/82/03/63/644820363.db2.gz IEFGPZRFERERFD-TUAOUCFPSA-N 1 2 241.331 1.856 20 0 BDADLO CCCn1cc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000806943661 644857423 /nfs/dbraw/zinc/85/74/23/644857423.db2.gz HGAZCRPQQICUKD-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO COC[C@]1(C)CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000840104736 644866311 /nfs/dbraw/zinc/86/63/11/644866311.db2.gz PAOZXRFEPPOEPP-LLVKDONJSA-N 1 2 243.738 1.852 20 0 BDADLO COC[C@]1(C)CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000840104736 644866315 /nfs/dbraw/zinc/86/63/15/644866315.db2.gz PAOZXRFEPPOEPP-LLVKDONJSA-N 1 2 243.738 1.852 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCO[C@@H](CC)C1 ZINC000304140860 644871905 /nfs/dbraw/zinc/87/19/05/644871905.db2.gz AOOQDYPAPRUWME-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCO[C@@H](CC)C1 ZINC000304140860 644871907 /nfs/dbraw/zinc/87/19/07/644871907.db2.gz AOOQDYPAPRUWME-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CNc1cc(N[C@H]2CC[C@H](O)CC2)[nH+]cn1 ZINC000253114691 644938975 /nfs/dbraw/zinc/93/89/75/644938975.db2.gz FHYWIZJBXVIUHA-KYZUINATSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\[C@@H]1CCCO1 ZINC000819111304 645005474 /nfs/dbraw/zinc/00/54/74/645005474.db2.gz NSNYZXJFXHZEGR-JYYSYOFASA-N 1 2 249.314 1.123 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000827125807 645074404 /nfs/dbraw/zinc/07/44/04/645074404.db2.gz RPHXTKPMCXHQRQ-GFCCVEGCSA-N 1 2 241.310 1.987 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000828103201 645097146 /nfs/dbraw/zinc/09/71/46/645097146.db2.gz CZKQDYNEYGEEGQ-VHSXEESVSA-N 1 2 218.304 1.287 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000828103201 645097147 /nfs/dbraw/zinc/09/71/47/645097147.db2.gz CZKQDYNEYGEEGQ-VHSXEESVSA-N 1 2 218.304 1.287 20 0 BDADLO CCOc1cccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000829493290 645108935 /nfs/dbraw/zinc/10/89/35/645108935.db2.gz LSOQLVWGRLFURM-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC[C@H]1C=CCC1 ZINC000834327122 645138134 /nfs/dbraw/zinc/13/81/34/645138134.db2.gz POEMSTSCNCSSHY-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO COc1cccnc1C[NH2+][C@@H](C)c1ccnnc1 ZINC000926552150 645272989 /nfs/dbraw/zinc/27/29/89/645272989.db2.gz VCDNTUROQZPPPW-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCC1CC1 ZINC000845448931 645362669 /nfs/dbraw/zinc/36/26/69/645362669.db2.gz ZIMNPWHYLVMFSA-UHFFFAOYSA-N 1 2 234.299 1.715 20 0 BDADLO CSCCONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846054381 645393376 /nfs/dbraw/zinc/39/33/76/645393376.db2.gz MIAUKNXSGOPWQF-SECBINFHSA-N 1 2 243.332 1.245 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1cccnc1C ZINC000926761000 645408835 /nfs/dbraw/zinc/40/88/35/645408835.db2.gz PZZDJXCNUQKUDW-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO FC(F)[C@@H]1C[N@@H+]([C@@H]2CO[C@@H](C3CC3)C2)CCO1 ZINC000926820469 645443621 /nfs/dbraw/zinc/44/36/21/645443621.db2.gz BYQJSHGOHYXVFC-AXFHLTTASA-N 1 2 247.285 1.520 20 0 BDADLO FC(F)[C@@H]1C[N@H+]([C@@H]2CO[C@@H](C3CC3)C2)CCO1 ZINC000926820469 645443627 /nfs/dbraw/zinc/44/36/27/645443627.db2.gz BYQJSHGOHYXVFC-AXFHLTTASA-N 1 2 247.285 1.520 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@H](O)c1ccccn1 ZINC000851795740 645468391 /nfs/dbraw/zinc/46/83/91/645468391.db2.gz JYHIVLLAXHHHDP-NSHDSACASA-N 1 2 249.339 1.704 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@H](O)c1ccccn1 ZINC000851795740 645468398 /nfs/dbraw/zinc/46/83/98/645468398.db2.gz JYHIVLLAXHHHDP-NSHDSACASA-N 1 2 249.339 1.704 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ncco1 ZINC000926892267 645478243 /nfs/dbraw/zinc/47/82/43/645478243.db2.gz ISRKULJBEUZUTH-AEJSXWLSSA-N 1 2 209.293 1.418 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927412964 645606440 /nfs/dbraw/zinc/60/64/40/645606440.db2.gz GRSDYTDKHJJSJR-OLZOCXBDSA-N 1 2 247.342 1.826 20 0 BDADLO CS[C@H](C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000927776434 645654760 /nfs/dbraw/zinc/65/47/60/645654760.db2.gz CDHFEAOGIKDHFX-MRVPVSSYSA-N 1 2 239.344 1.422 20 0 BDADLO C[C@]1(C(=O)NCc2ccc(N)[nH+]c2)C=CCC1 ZINC000927778522 645655346 /nfs/dbraw/zinc/65/53/46/645655346.db2.gz WCQZXEREHFJXQJ-ZDUSSCGKSA-N 1 2 231.299 1.636 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000928047378 645692383 /nfs/dbraw/zinc/69/23/83/645692383.db2.gz LREMDUQAMQPGKS-WISYIIOYSA-N 1 2 233.315 1.434 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C ZINC000928645570 645852239 /nfs/dbraw/zinc/85/22/39/645852239.db2.gz WDFVKNKKSNOOOE-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ncco1 ZINC000925495800 645933552 /nfs/dbraw/zinc/93/35/52/645933552.db2.gz WPJAQCQEYMFDMZ-DTWKUNHWSA-N 1 2 235.287 1.089 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930306664 645950623 /nfs/dbraw/zinc/95/06/23/645950623.db2.gz KQEVCGBMHIKNBT-GFCCVEGCSA-N 1 2 246.310 1.345 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930306664 645950627 /nfs/dbraw/zinc/95/06/27/645950627.db2.gz KQEVCGBMHIKNBT-GFCCVEGCSA-N 1 2 246.310 1.345 20 0 BDADLO c1cc(-c2noc([C@H]3C[C@@H]3c3c[nH]c[nH+]3)n2)no1 ZINC000923953970 645964600 /nfs/dbraw/zinc/96/46/00/645964600.db2.gz JGXRATZPYNXEKV-BQBZGAKWSA-N 1 2 243.226 1.719 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000924034550 645972801 /nfs/dbraw/zinc/97/28/01/645972801.db2.gz KXZYATIXFLPBBU-IXLVHKGHSA-N 1 2 247.342 1.669 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(CCCF)no2)O1 ZINC000924093787 645978510 /nfs/dbraw/zinc/97/85/10/645978510.db2.gz WKCNQSZDNHLGRY-BDAKNGLRSA-N 1 2 243.282 1.363 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(CCCF)no2)O1 ZINC000924093787 645978522 /nfs/dbraw/zinc/97/85/22/645978522.db2.gz WKCNQSZDNHLGRY-BDAKNGLRSA-N 1 2 243.282 1.363 20 0 BDADLO COC[C@@H](C)Cc1noc([C@@H](C)[NH+](C)C)n1 ZINC000924110494 645981902 /nfs/dbraw/zinc/98/19/02/645981902.db2.gz KUXHARKIQDZMIG-DTWKUNHWSA-N 1 2 227.308 1.517 20 0 BDADLO Cc1nocc1Cc1noc([C@@H](C)[NH+](C)C)n1 ZINC000924111005 645982021 /nfs/dbraw/zinc/98/20/21/645982021.db2.gz ZUAKWDSBVXEOTE-MRVPVSSYSA-N 1 2 236.275 1.579 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000929188938 645993896 /nfs/dbraw/zinc/99/38/96/645993896.db2.gz MLGQVXXYOAZHAA-ZKQHCESOSA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000929188938 645993902 /nfs/dbraw/zinc/99/39/02/645993902.db2.gz MLGQVXXYOAZHAA-ZKQHCESOSA-N 1 2 248.326 1.984 20 0 BDADLO CON1CC[C@H]([N@H+](C)Cc2ccc(C)o2)C1=O ZINC000929213630 646009293 /nfs/dbraw/zinc/00/92/93/646009293.db2.gz NTVWGTUDSYACEC-NSHDSACASA-N 1 2 238.287 1.182 20 0 BDADLO CON1CC[C@H]([N@@H+](C)Cc2ccc(C)o2)C1=O ZINC000929213630 646009295 /nfs/dbraw/zinc/00/92/95/646009295.db2.gz NTVWGTUDSYACEC-NSHDSACASA-N 1 2 238.287 1.182 20 0 BDADLO CC(C)OCc1noc(C[NH+]2CCCCC2)n1 ZINC000929239507 646027979 /nfs/dbraw/zinc/02/79/79/646027979.db2.gz YMIZJTUURJFUNX-UHFFFAOYSA-N 1 2 239.319 1.981 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)nnc2C)CCO1 ZINC000929256934 646038963 /nfs/dbraw/zinc/03/89/63/646038963.db2.gz IKOLBPVAMCKAEQ-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nnc2C)CCO1 ZINC000929256934 646038967 /nfs/dbraw/zinc/03/89/67/646038967.db2.gz IKOLBPVAMCKAEQ-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC000929286466 646061012 /nfs/dbraw/zinc/06/10/12/646061012.db2.gz QNCXHNUHOYJJGV-JQWIXIFHSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC000929286466 646061014 /nfs/dbraw/zinc/06/10/14/646061014.db2.gz QNCXHNUHOYJJGV-JQWIXIFHSA-N 1 2 248.330 1.138 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1cnc(CC)o1 ZINC000929320198 646079161 /nfs/dbraw/zinc/07/91/61/646079161.db2.gz QPEXSZZSBVEHCS-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1cnc(CC)o1 ZINC000929320198 646079166 /nfs/dbraw/zinc/07/91/66/646079166.db2.gz QPEXSZZSBVEHCS-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CC[N@H+](CC(=O)NC)[C@@H](C)c1ccc(F)nc1 ZINC000929320502 646080547 /nfs/dbraw/zinc/08/05/47/646080547.db2.gz XHGDRMDOQOFACS-VIFPVBQESA-N 1 2 239.294 1.350 20 0 BDADLO CC[N@@H+](CC(=O)NC)[C@@H](C)c1ccc(F)nc1 ZINC000929320502 646080549 /nfs/dbraw/zinc/08/05/49/646080549.db2.gz XHGDRMDOQOFACS-VIFPVBQESA-N 1 2 239.294 1.350 20 0 BDADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccnn2C)n1 ZINC000924642886 646084534 /nfs/dbraw/zinc/08/45/34/646084534.db2.gz JXCGBXXLFQYMHW-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC2(C)C)c(C)nn1 ZINC000929346581 646090703 /nfs/dbraw/zinc/09/07/03/646090703.db2.gz BOSSTXPPNVRNDV-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC2(C)C)c(C)nn1 ZINC000929346581 646090708 /nfs/dbraw/zinc/09/07/08/646090708.db2.gz BOSSTXPPNVRNDV-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1CCCOCC1 ZINC000929410101 646110040 /nfs/dbraw/zinc/11/00/40/646110040.db2.gz RUBXGBNQIOIKQA-JTQLQIEISA-N 1 2 207.277 1.260 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1CCCOCC1 ZINC000929410101 646110043 /nfs/dbraw/zinc/11/00/43/646110043.db2.gz RUBXGBNQIOIKQA-JTQLQIEISA-N 1 2 207.277 1.260 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@H]1CCN(OC)C1=O ZINC000929477839 646134746 /nfs/dbraw/zinc/13/47/46/646134746.db2.gz IDEANXHKFCFEHP-NSHDSACASA-N 1 2 238.287 1.264 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@H]1CCN(OC)C1=O ZINC000929477839 646134750 /nfs/dbraw/zinc/13/47/50/646134750.db2.gz IDEANXHKFCFEHP-NSHDSACASA-N 1 2 238.287 1.264 20 0 BDADLO C[C@H](N[C@@H]1CC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955220 646142776 /nfs/dbraw/zinc/14/27/76/646142776.db2.gz NTOHLPLVGJPAHF-NWDGAFQWSA-N 1 2 248.374 1.963 20 0 BDADLO C[C@H](N[C@@H]1CC[N@@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955220 646142780 /nfs/dbraw/zinc/14/27/80/646142780.db2.gz NTOHLPLVGJPAHF-NWDGAFQWSA-N 1 2 248.374 1.963 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2cn(C)cn2)[nH]n1 ZINC000925061404 646172068 /nfs/dbraw/zinc/17/20/68/646172068.db2.gz JKAAXGMZCRBLOP-VIFPVBQESA-N 1 2 233.319 1.556 20 0 BDADLO c1cn([C@@H]2CCCN(Cc3nncs3)C2)c[nH+]1 ZINC000929532288 646177911 /nfs/dbraw/zinc/17/79/11/646177911.db2.gz LASGCEGUHRADPG-SNVBAGLBSA-N 1 2 249.343 1.572 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2ccnnc2)on1 ZINC000925130794 646192405 /nfs/dbraw/zinc/19/24/05/646192405.db2.gz XQZMFAXYLZOZCH-VIFPVBQESA-N 1 2 232.287 1.878 20 0 BDADLO COC[C@H](C[N@H+](C)Cc1nnc[nH]1)C(C)C ZINC000929811351 646330109 /nfs/dbraw/zinc/33/01/09/646330109.db2.gz OAMUWCSENRYBOJ-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO COC[C@H](C[N@@H+](C)Cc1nnc[nH]1)C(C)C ZINC000929811351 646330115 /nfs/dbraw/zinc/33/01/15/646330115.db2.gz OAMUWCSENRYBOJ-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)on1 ZINC000925636615 646380508 /nfs/dbraw/zinc/38/05/08/646380508.db2.gz YVEIUXIFQPMBJF-YUMQZZPRSA-N 1 2 236.275 1.818 20 0 BDADLO Cc1cncc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000925642738 646385129 /nfs/dbraw/zinc/38/51/29/646385129.db2.gz BTXWENKERFVPGQ-PWSUYJOCSA-N 1 2 243.314 1.777 20 0 BDADLO C[N@H+](Cc1nncs1)[C@H](CO)C(C)(C)C ZINC000930056848 646413943 /nfs/dbraw/zinc/41/39/43/646413943.db2.gz IUMVFYANUGUVSY-MRVPVSSYSA-N 1 2 229.349 1.377 20 0 BDADLO C[N@@H+](Cc1nncs1)[C@H](CO)C(C)(C)C ZINC000930056848 646413948 /nfs/dbraw/zinc/41/39/48/646413948.db2.gz IUMVFYANUGUVSY-MRVPVSSYSA-N 1 2 229.349 1.377 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCOCC12CCC2 ZINC000930064576 646416427 /nfs/dbraw/zinc/41/64/27/646416427.db2.gz DGONFSVFFHOGDR-FLIBITNWSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCOCC12CCC2 ZINC000930064576 646416432 /nfs/dbraw/zinc/41/64/32/646416432.db2.gz DGONFSVFFHOGDR-FLIBITNWSA-N 1 2 239.315 1.361 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000930069123 646420581 /nfs/dbraw/zinc/42/05/81/646420581.db2.gz NVPSMZYMVKVHOC-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000930069123 646420586 /nfs/dbraw/zinc/42/05/86/646420586.db2.gz NVPSMZYMVKVHOC-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC2(CCC2)C1 ZINC000930144006 646457176 /nfs/dbraw/zinc/45/71/76/646457176.db2.gz SMMDAEGKABSHRN-HYXAFXHYSA-N 1 2 239.315 1.361 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC2(CCC2)C1 ZINC000930144006 646457179 /nfs/dbraw/zinc/45/71/79/646457179.db2.gz SMMDAEGKABSHRN-HYXAFXHYSA-N 1 2 239.315 1.361 20 0 BDADLO CC[C@@H]1COC[C@H]1[NH2+]C1(C(F)F)CC1 ZINC000926364362 646620909 /nfs/dbraw/zinc/62/09/09/646620909.db2.gz HTMWPELJCUVJFU-HTQZYQBOSA-N 1 2 205.248 1.799 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)OC(C)(C)C ZINC000724133559 711564408 /nfs/dbraw/zinc/56/44/08/711564408.db2.gz ZWSIWKPHAIJZRO-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)OC(C)(C)C ZINC000724133559 711564410 /nfs/dbraw/zinc/56/44/10/711564410.db2.gz ZWSIWKPHAIJZRO-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC[C@H](O)[C@H](F)C2)s1 ZINC000934576016 711595458 /nfs/dbraw/zinc/59/54/58/711595458.db2.gz PVJYZPOQVOGOGA-ZJUUUORDSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC[C@H](O)[C@H](F)C2)s1 ZINC000934576016 711595461 /nfs/dbraw/zinc/59/54/61/711595461.db2.gz PVJYZPOQVOGOGA-ZJUUUORDSA-N 1 2 244.335 1.665 20 0 BDADLO C[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724708663 711609468 /nfs/dbraw/zinc/60/94/68/711609468.db2.gz QQKVMENYHVZHRO-YUMQZZPRSA-N 1 2 220.263 1.227 20 0 BDADLO CN(C(=O)C[C@@H]([NH3+])C(F)F)C1CCCCC1 ZINC000724753737 711610788 /nfs/dbraw/zinc/61/07/88/711610788.db2.gz YGFGJQCNQFWBMI-SECBINFHSA-N 1 2 234.290 1.760 20 0 BDADLO CCCCCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724727987 711610065 /nfs/dbraw/zinc/61/00/65/711610065.db2.gz STFSDBMVINYLBT-MRVPVSSYSA-N 1 2 222.279 1.665 20 0 BDADLO CC(=O)C1CC[NH+](Cc2nocc2C)CC1 ZINC000720371112 711683725 /nfs/dbraw/zinc/68/37/25/711683725.db2.gz AAVYMYRIBJIQIG-UHFFFAOYSA-N 1 2 222.288 1.784 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)[nH]n1 ZINC000722313021 711734428 /nfs/dbraw/zinc/73/44/28/711734428.db2.gz OARLJHYEMBTGDO-NEPJUHHUSA-N 1 2 221.304 1.457 20 0 BDADLO CN(CC1CCC1)c1cc(CO)cc[nH+]1 ZINC000061481118 711838490 /nfs/dbraw/zinc/83/84/90/711838490.db2.gz YUDQQWRFYNNNHZ-UHFFFAOYSA-N 1 2 206.289 1.810 20 0 BDADLO CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001032847108 711962423 /nfs/dbraw/zinc/96/24/23/711962423.db2.gz VFPKEVKWCGLWIH-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001032847108 711962425 /nfs/dbraw/zinc/96/24/25/711962425.db2.gz VFPKEVKWCGLWIH-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C(F)F ZINC000700998240 712011283 /nfs/dbraw/zinc/01/12/83/712011283.db2.gz NYOFQKKJWFNYPT-ZQARSLAVSA-N 1 2 205.248 1.797 20 0 BDADLO COCCN(CCF)Cc1[nH]c(C)c(C)[nH+]1 ZINC000709071727 712207588 /nfs/dbraw/zinc/20/75/88/712207588.db2.gz RVPVLIUFBHHPJB-UHFFFAOYSA-N 1 2 229.299 1.444 20 0 BDADLO CCC[C@H](CNc1cc(NC)nc[nH+]1)OC ZINC000378775592 712360485 /nfs/dbraw/zinc/36/04/85/712360485.db2.gz DLLDOHJIDDAANC-SECBINFHSA-N 1 2 224.308 1.167 20 0 BDADLO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccns1 ZINC000715926179 712542967 /nfs/dbraw/zinc/54/29/67/712542967.db2.gz IRCCCLQTDCRCBP-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)C1CCC1)C(=O)OC(C)(C)C ZINC000717640890 712662822 /nfs/dbraw/zinc/66/28/22/712662822.db2.gz BLHVPBSCGAGQAZ-KOLCDFICSA-N 1 2 243.347 1.467 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000384877582 712703975 /nfs/dbraw/zinc/70/39/75/712703975.db2.gz PYTLPFGRFGCQAF-GHMZBOCLSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000384877582 712703976 /nfs/dbraw/zinc/70/39/76/712703976.db2.gz PYTLPFGRFGCQAF-GHMZBOCLSA-N 1 2 229.320 1.175 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)C(=O)OC(C)(C)C ZINC000384897543 712704342 /nfs/dbraw/zinc/70/43/42/712704342.db2.gz MTIJRJNQBNARAI-VHSXEESVSA-N 1 2 245.363 1.856 20 0 BDADLO CCCCOC(=O)C[N@H+](CC)CCOC ZINC000042325496 712720457 /nfs/dbraw/zinc/72/04/57/712720457.db2.gz NANVZINEHCSNCV-UHFFFAOYSA-N 1 2 217.309 1.298 20 0 BDADLO CCCCOC(=O)C[N@@H+](CC)CCOC ZINC000042325496 712720461 /nfs/dbraw/zinc/72/04/61/712720461.db2.gz NANVZINEHCSNCV-UHFFFAOYSA-N 1 2 217.309 1.298 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000719706499 712823318 /nfs/dbraw/zinc/82/33/18/712823318.db2.gz JJDSSGOLJRLKLJ-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000719706499 712823319 /nfs/dbraw/zinc/82/33/19/712823319.db2.gz JJDSSGOLJRLKLJ-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1conc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000720375652 712836596 /nfs/dbraw/zinc/83/65/96/712836596.db2.gz SCSNUURDBHBXAZ-JTQLQIEISA-N 1 2 242.344 1.283 20 0 BDADLO Cc1conc1C[N@H+]1CCSC[C@@H]1CCO ZINC000720375652 712836597 /nfs/dbraw/zinc/83/65/97/712836597.db2.gz SCSNUURDBHBXAZ-JTQLQIEISA-N 1 2 242.344 1.283 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000720432116 712842259 /nfs/dbraw/zinc/84/22/59/712842259.db2.gz NUEXJKLWMGUGLH-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000720432116 712842260 /nfs/dbraw/zinc/84/22/60/712842260.db2.gz NUEXJKLWMGUGLH-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1nc(NC[C@@H]2CCC=CO2)cc[nH+]1 ZINC000380323974 712883441 /nfs/dbraw/zinc/88/34/41/712883441.db2.gz LIIDDZMWWBVCFG-JTQLQIEISA-N 1 2 205.261 1.312 20 0 BDADLO C/C=C/C(=O)NCCCNc1cccc[nH+]1 ZINC000381364705 710627867 /nfs/dbraw/zinc/62/78/67/710627867.db2.gz DTZNBKXRIMHNHP-QHHAFSJGSA-N 1 2 219.288 1.576 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000380400439 712900429 /nfs/dbraw/zinc/90/04/29/712900429.db2.gz IPDTYMUAZHIQEX-UORZZXJBSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000380400439 712900430 /nfs/dbraw/zinc/90/04/30/712900430.db2.gz IPDTYMUAZHIQEX-UORZZXJBSA-N 1 2 227.304 1.215 20 0 BDADLO Cc1nc(N(Cc2ccoc2)C2CC2)nc(N)[nH+]1 ZINC000723734410 710731144 /nfs/dbraw/zinc/73/11/44/710731144.db2.gz ZKNKVCAZDAQOAQ-UHFFFAOYSA-N 1 2 245.286 1.524 20 0 BDADLO CN1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)co2)C1 ZINC000724389153 710739699 /nfs/dbraw/zinc/73/96/99/710739699.db2.gz WDBPWPGSGFDDOI-SNVBAGLBSA-N 1 2 237.347 1.766 20 0 BDADLO CN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724758259 710746920 /nfs/dbraw/zinc/74/69/20/710746920.db2.gz AYGDOWBZEBISAJ-SNVBAGLBSA-N 1 2 242.269 1.628 20 0 BDADLO CNc1cc(N2CCO[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000380493451 712901385 /nfs/dbraw/zinc/90/13/85/712901385.db2.gz BGVFEDIKBCEEJT-BDAKNGLRSA-N 1 2 222.292 1.132 20 0 BDADLO CNc1cc(N2CCO[C@@H](C)[C@H]2C)[nH+]cn1 ZINC000380493451 712901386 /nfs/dbraw/zinc/90/13/86/712901386.db2.gz BGVFEDIKBCEEJT-BDAKNGLRSA-N 1 2 222.292 1.132 20 0 BDADLO CCc1ccnc(C(=O)N(C)C2C[NH+](CC)C2)c1 ZINC001042771983 710799970 /nfs/dbraw/zinc/79/99/70/710799970.db2.gz WGYLMWGSJHGTMQ-UHFFFAOYSA-N 1 2 247.342 1.420 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001043356321 710805239 /nfs/dbraw/zinc/80/52/39/710805239.db2.gz ZUDIXBCPRCRISZ-UHFFFAOYSA-N 1 2 247.342 1.475 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)[C@H]2CC23CC3)C1 ZINC001043969635 710816504 /nfs/dbraw/zinc/81/65/04/710816504.db2.gz BCMNFLVRXGQCQJ-CYBMUJFWSA-N 1 2 248.370 1.895 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cnoc2C2CC2)C1 ZINC001044132157 710820479 /nfs/dbraw/zinc/82/04/79/710820479.db2.gz OADKUYWHKWSJOK-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C)CO2 ZINC001053991469 710922545 /nfs/dbraw/zinc/92/25/45/710922545.db2.gz UXZRAYAVOYIRFW-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCCC1 ZINC001050795597 710956626 /nfs/dbraw/zinc/95/66/26/710956626.db2.gz RLLFJCPBBXGWNW-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@H]1CNC(=O)C1CCCC1 ZINC001050795597 710956631 /nfs/dbraw/zinc/95/66/31/710956631.db2.gz RLLFJCPBBXGWNW-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001069441577 711042399 /nfs/dbraw/zinc/04/23/99/711042399.db2.gz BEWAUQCWWGGWBK-RYUDHWBXSA-N 1 2 248.330 1.502 20 0 BDADLO CNc1cc(N[C@H]2CC23CCOCC3)nc[nH+]1 ZINC000387366844 711042736 /nfs/dbraw/zinc/04/27/36/711042736.db2.gz WZBCXDMCEFZYMA-VIFPVBQESA-N 1 2 234.303 1.499 20 0 BDADLO CNc1cc(N[C@H]2CC23CCOCC3)[nH+]cn1 ZINC000387366844 711042740 /nfs/dbraw/zinc/04/27/40/711042740.db2.gz WZBCXDMCEFZYMA-VIFPVBQESA-N 1 2 234.303 1.499 20 0 BDADLO CC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001069519242 711045160 /nfs/dbraw/zinc/04/51/60/711045160.db2.gz DGEMDYSLYLOGRU-NSHDSACASA-N 1 2 248.330 1.454 20 0 BDADLO CNc1cc(N[C@@H]2CS[C@@H](C)C2)nc[nH+]1 ZINC000397826139 711392142 /nfs/dbraw/zinc/39/21/42/711392142.db2.gz BAXWCMUUQMRMHO-YUMQZZPRSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@@H]2CS[C@@H](C)C2)[nH+]cn1 ZINC000397826139 711392147 /nfs/dbraw/zinc/39/21/47/711392147.db2.gz BAXWCMUUQMRMHO-YUMQZZPRSA-N 1 2 224.333 1.824 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cccc2c1NCCC2 ZINC000398328323 711408572 /nfs/dbraw/zinc/40/85/72/711408572.db2.gz GMWAUEWKWOGWCZ-UHFFFAOYSA-N 1 2 243.314 1.453 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000383083343 710951541 /nfs/dbraw/zinc/95/15/41/710951541.db2.gz URLGAJFUHMHZTL-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO OC[C@H]1CCCCC[N@@H+]1Cc1cnsn1 ZINC000399666548 711433967 /nfs/dbraw/zinc/43/39/67/711433967.db2.gz JLFPUDPAVBVZDV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@H]1CCCCC[N@H+]1Cc1cnsn1 ZINC000399666548 711433969 /nfs/dbraw/zinc/43/39/69/711433969.db2.gz JLFPUDPAVBVZDV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CN(CC(C)(C)O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933934565 711557946 /nfs/dbraw/zinc/55/79/46/711557946.db2.gz KXZJVOUQHXULIU-UHFFFAOYSA-N 1 2 247.298 1.406 20 0 BDADLO Cc1nc(N[C@@H](CCO)C2CC2)cc[nH+]1 ZINC000309230937 711668148 /nfs/dbraw/zinc/66/81/48/711668148.db2.gz WRRRMGUYEKYSJJ-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO CCNC(=O)C(C)(C)[NH2+]C/C(Cl)=C/Cl ZINC000313058140 711712685 /nfs/dbraw/zinc/71/26/85/711712685.db2.gz KKPHREYOGVLVEE-ALCCZGGFSA-N 1 2 239.146 1.810 20 0 BDADLO [NH3+][C@@H](CC(=O)NC(C1CC1)C1CC1)C(F)F ZINC000724698397 711739328 /nfs/dbraw/zinc/73/93/28/711739328.db2.gz DWLKLCNAKMTLHM-QMMMGPOBSA-N 1 2 232.274 1.274 20 0 BDADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+]C ZINC000061625434 711759180 /nfs/dbraw/zinc/75/91/80/711759180.db2.gz DIHRRVDFQCKOFV-LBPRGKRZSA-N 1 2 221.300 1.770 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000307157847 711773645 /nfs/dbraw/zinc/77/36/45/711773645.db2.gz RDNXXUXFDNWRSM-SVRRBLITSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000307157847 711773646 /nfs/dbraw/zinc/77/36/46/711773646.db2.gz RDNXXUXFDNWRSM-SVRRBLITSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H](CC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000909557065 711783474 /nfs/dbraw/zinc/78/34/74/711783474.db2.gz DBSVASJEUOGBFL-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO Cc1[nH+]ccn1CCCNC(=O)C(F)(F)F ZINC000171262627 711838394 /nfs/dbraw/zinc/83/83/94/711838394.db2.gz MKNXESVBPATGIN-UHFFFAOYSA-N 1 2 235.209 1.260 20 0 BDADLO C#CCC[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC000068445741 711886198 /nfs/dbraw/zinc/88/61/98/711886198.db2.gz WHADPPMSDJICTO-UHFFFAOYSA-N 1 2 246.310 1.369 20 0 BDADLO CNc1cc(NCc2ccc(OC)nc2)nc[nH+]1 ZINC000133094389 711957116 /nfs/dbraw/zinc/95/71/16/711957116.db2.gz RCNDZALXVSMIQS-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO CNc1cc(NCc2ccc(OC)nc2)[nH+]cn1 ZINC000133094389 711957118 /nfs/dbraw/zinc/95/71/18/711957118.db2.gz RCNDZALXVSMIQS-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001032848079 711963362 /nfs/dbraw/zinc/96/33/62/711963362.db2.gz QJWXBAUGPPTZKS-JQWIXIFHSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001032848079 711963363 /nfs/dbraw/zinc/96/33/63/711963363.db2.gz QJWXBAUGPPTZKS-JQWIXIFHSA-N 1 2 248.330 1.090 20 0 BDADLO CN(C(=O)C(C)(F)F)[C@H]1CC[N@H+](CCF)C1 ZINC001032871108 711965667 /nfs/dbraw/zinc/96/56/67/711965667.db2.gz HUZRSKBHEZZWGK-QMMMGPOBSA-N 1 2 238.253 1.144 20 0 BDADLO CN(C(=O)C(C)(F)F)[C@H]1CC[N@@H+](CCF)C1 ZINC001032871108 711965668 /nfs/dbraw/zinc/96/56/68/711965668.db2.gz HUZRSKBHEZZWGK-QMMMGPOBSA-N 1 2 238.253 1.144 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(N)nn2)[C@H](C)CO1 ZINC000703980932 712098113 /nfs/dbraw/zinc/09/81/13/712098113.db2.gz AXJUHMIBOZCNPC-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(N)nn2)[C@H](C)CO1 ZINC000703980932 712098114 /nfs/dbraw/zinc/09/81/14/712098114.db2.gz AXJUHMIBOZCNPC-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@@H](CO)C2)cc1Cl ZINC000707138509 712165480 /nfs/dbraw/zinc/16/54/80/712165480.db2.gz SUWHVJUVQAHVFS-SECBINFHSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@@H](CO)C2)cc1Cl ZINC000707138509 712165481 /nfs/dbraw/zinc/16/54/81/712165481.db2.gz SUWHVJUVQAHVFS-SECBINFHSA-N 1 2 243.738 1.278 20 0 BDADLO O=C(c1ccnc(F)c1)N1CC(n2cc[nH+]c2)C1 ZINC000707150802 712165897 /nfs/dbraw/zinc/16/58/97/712165897.db2.gz GQKBLHDJDMUTNP-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC[C@@]1(C)CC ZINC000707346131 712168283 /nfs/dbraw/zinc/16/82/83/712168283.db2.gz YJTAQCVVEMWEGX-FMFIFOJESA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC[C@@]1(C)CC ZINC000707346131 712168285 /nfs/dbraw/zinc/16/82/85/712168285.db2.gz YJTAQCVVEMWEGX-FMFIFOJESA-N 1 2 241.331 1.607 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709060861 712206572 /nfs/dbraw/zinc/20/65/72/712206572.db2.gz JJUMHDZQJWWNJO-APPZFPTMSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709060861 712206574 /nfs/dbraw/zinc/20/65/74/712206574.db2.gz JJUMHDZQJWWNJO-APPZFPTMSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709060862 712206683 /nfs/dbraw/zinc/20/66/83/712206683.db2.gz JJUMHDZQJWWNJO-CBAPKCEASA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709060862 712206684 /nfs/dbraw/zinc/20/66/84/712206684.db2.gz JJUMHDZQJWWNJO-CBAPKCEASA-N 1 2 239.237 1.822 20 0 BDADLO CN(c1cc[nH+]cc1F)[C@@H]1CCC[C@H]1O ZINC000709635943 712225656 /nfs/dbraw/zinc/22/56/56/712225656.db2.gz FRDNTFAZVJPIMG-GHMZBOCLSA-N 1 2 210.252 1.570 20 0 BDADLO Cn1c[nH+]cc1CNc1cc(C2CC2)ncn1 ZINC000710116911 712245631 /nfs/dbraw/zinc/24/56/31/712245631.db2.gz DPMIWUQPLLYQPR-UHFFFAOYSA-N 1 2 229.287 1.700 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000710968061 712270448 /nfs/dbraw/zinc/27/04/48/712270448.db2.gz CAYFMCLOSAPMTR-WCBMZHEXSA-N 1 2 242.344 1.945 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)C(=O)OC ZINC000711484635 712306246 /nfs/dbraw/zinc/30/62/46/712306246.db2.gz OGJHXWHLHIYZDY-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cc(N)nc(SCCOC2CC2)[nH+]1 ZINC000711679330 712316900 /nfs/dbraw/zinc/31/69/00/712316900.db2.gz DIBDKCFSSNMUOD-UHFFFAOYSA-N 1 2 225.317 1.638 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1C=CCC1 ZINC000711705772 712319578 /nfs/dbraw/zinc/31/95/78/712319578.db2.gz WKIICOKCNPUBOP-SECBINFHSA-N 1 2 229.287 1.741 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1cnn(C)c1 ZINC000711740088 712321679 /nfs/dbraw/zinc/32/16/79/712321679.db2.gz SQEFTEJYWGRVPI-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO C[N@H+](CCO)Cc1occc1Br ZINC000379328100 712374541 /nfs/dbraw/zinc/37/45/41/712374541.db2.gz NUQZKFQAZMECNM-UHFFFAOYSA-N 1 2 234.093 1.466 20 0 BDADLO C[N@@H+](CCO)Cc1occc1Br ZINC000379328100 712374542 /nfs/dbraw/zinc/37/45/42/712374542.db2.gz NUQZKFQAZMECNM-UHFFFAOYSA-N 1 2 234.093 1.466 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584949 712389292 /nfs/dbraw/zinc/38/92/92/712389292.db2.gz WVGOJBBXBJBVLN-IUCAKERBSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584949 712389293 /nfs/dbraw/zinc/38/92/93/712389293.db2.gz WVGOJBBXBJBVLN-IUCAKERBSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1F)c1cn(C)nn1 ZINC000715858164 712537161 /nfs/dbraw/zinc/53/71/61/712537161.db2.gz KMUHQPYRMVIRFE-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCCn1cc([C@H](C)[NH2+]Cc2cccnc2)nn1 ZINC000715860556 712537309 /nfs/dbraw/zinc/53/73/09/712537309.db2.gz LWAPMZMMEBLWLG-NSHDSACASA-N 1 2 245.330 1.934 20 0 BDADLO Cc1ncsc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715896084 712540569 /nfs/dbraw/zinc/54/05/69/712540569.db2.gz VLGUSSDEXKXKOW-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccn2C2CC2)[nH]n1 ZINC000716474096 712554146 /nfs/dbraw/zinc/55/41/46/712554146.db2.gz GEEZZUPNMFZIDC-UHFFFAOYSA-N 1 2 231.303 1.539 20 0 BDADLO CCOC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716350640 712555784 /nfs/dbraw/zinc/55/57/84/712555784.db2.gz SOGJTJZDEINTBO-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C(C)(C)O)CC2)o1 ZINC000716414952 712559680 /nfs/dbraw/zinc/55/96/80/712559680.db2.gz GZVSLLPTLJSFGV-UHFFFAOYSA-N 1 2 239.319 1.361 20 0 BDADLO CCCn1cc([C@H](C)[NH2+]Cc2cc(C)n[nH]2)nn1 ZINC000716452335 712562080 /nfs/dbraw/zinc/56/20/80/712562080.db2.gz UBVNFEOPCRUJND-JTQLQIEISA-N 1 2 248.334 1.570 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930250867 712615548 /nfs/dbraw/zinc/61/55/48/712615548.db2.gz GTPLQFXIZPWZQT-SDDRHHMPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930250867 712615549 /nfs/dbraw/zinc/61/55/49/712615549.db2.gz GTPLQFXIZPWZQT-SDDRHHMPSA-N 1 2 237.347 1.726 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ncn(C)n1 ZINC000380016462 712670241 /nfs/dbraw/zinc/67/02/41/712670241.db2.gz NIFLILDLEATXAR-RNFRBKRXSA-N 1 2 249.145 1.660 20 0 BDADLO Cc1nn(C)c(C[N@H+]2C[C@@H](O)C[C@H]2C)c1Cl ZINC000384928000 712705421 /nfs/dbraw/zinc/70/54/21/712705421.db2.gz GZHYKGIRJZQRQQ-APPZFPTMSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1Cl ZINC000384928000 712705422 /nfs/dbraw/zinc/70/54/22/712705422.db2.gz GZHYKGIRJZQRQQ-APPZFPTMSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccco1 ZINC000380193124 712710606 /nfs/dbraw/zinc/71/06/06/712710606.db2.gz XUVZMMIKFSABOB-PLNGDYQASA-N 1 2 231.255 1.641 20 0 BDADLO C([NH2+][C@H]1CNOC1)c1nc2c(s1)CCCC2 ZINC000719557877 712809422 /nfs/dbraw/zinc/80/94/22/712809422.db2.gz WLMMLFVNCAYEPD-QMMMGPOBSA-N 1 2 239.344 1.015 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)c2cccn2C)CCO1 ZINC000720407592 712840352 /nfs/dbraw/zinc/84/03/52/712840352.db2.gz OPVNGVWAHURGTL-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)c2cccn2C)CCO1 ZINC000720407592 712840355 /nfs/dbraw/zinc/84/03/55/712840355.db2.gz OPVNGVWAHURGTL-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO COCCCC[N@@H+]1Cc2cncnc2C1 ZINC001209214816 957362491 /nfs/dbraw/zinc/36/24/91/957362491.db2.gz UWIYVGVUDOATJU-UHFFFAOYSA-N 1 2 207.277 1.219 20 0 BDADLO COCCCC[N@H+]1Cc2cncnc2C1 ZINC001209214816 957362501 /nfs/dbraw/zinc/36/25/01/957362501.db2.gz UWIYVGVUDOATJU-UHFFFAOYSA-N 1 2 207.277 1.219 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(F)(F)[C@H](F)C1 ZINC001204587925 958892551 /nfs/dbraw/zinc/89/25/51/958892551.db2.gz NVVPSEINMUVGHY-SECBINFHSA-N 1 2 233.237 1.897 20 0 BDADLO CNc1cc(N[C@@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000301019074 959588585 /nfs/dbraw/zinc/58/85/85/959588585.db2.gz NCVIQLZQQNGMJF-DTWKUNHWSA-N 1 2 222.292 1.355 20 0 BDADLO CNc1cc(N[C@@H]2CCOC[C@@H]2C)[nH+]cn1 ZINC000301019074 959588594 /nfs/dbraw/zinc/58/85/94/959588594.db2.gz NCVIQLZQQNGMJF-DTWKUNHWSA-N 1 2 222.292 1.355 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)n[nH]1 ZINC001203069763 960611023 /nfs/dbraw/zinc/61/10/23/960611023.db2.gz CQLNLAFOYWJPHR-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)n[nH]1 ZINC001203069763 960611036 /nfs/dbraw/zinc/61/10/36/960611036.db2.gz CQLNLAFOYWJPHR-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)o1 ZINC001140934157 960717640 /nfs/dbraw/zinc/71/76/40/960717640.db2.gz VTYAQBOBSIZHEI-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@H]2C2CC2)o1 ZINC001140934157 960717648 /nfs/dbraw/zinc/71/76/48/960717648.db2.gz VTYAQBOBSIZHEI-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO CC(C)(C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001142776904 961739291 /nfs/dbraw/zinc/73/92/91/961739291.db2.gz NWZPANLZQLIMCA-UHFFFAOYSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cccc(OC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001225280255 962004971 /nfs/dbraw/zinc/00/49/71/962004971.db2.gz UDTDDNYDQDNISA-NSHDSACASA-N 1 2 222.288 1.099 20 0 BDADLO Cc1cccc(OC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001225280255 962004983 /nfs/dbraw/zinc/00/49/83/962004983.db2.gz UDTDDNYDQDNISA-NSHDSACASA-N 1 2 222.288 1.099 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001269188507 962509675 /nfs/dbraw/zinc/50/96/75/962509675.db2.gz GCHKTZIWFOPXHK-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001269188507 962509685 /nfs/dbraw/zinc/50/96/85/962509685.db2.gz GCHKTZIWFOPXHK-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001269188508 962511545 /nfs/dbraw/zinc/51/15/45/962511545.db2.gz GCHKTZIWFOPXHK-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001269188508 962511559 /nfs/dbraw/zinc/51/15/59/962511559.db2.gz GCHKTZIWFOPXHK-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccsc1 ZINC001270248226 962918381 /nfs/dbraw/zinc/91/83/81/962918381.db2.gz WTCOQXINEYABAK-AOOOYVTPSA-N 1 2 222.313 1.277 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccsc1 ZINC001270248226 962918386 /nfs/dbraw/zinc/91/83/86/962918386.db2.gz WTCOQXINEYABAK-AOOOYVTPSA-N 1 2 222.313 1.277 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206654870 963043250 /nfs/dbraw/zinc/04/32/50/963043250.db2.gz DVWONKYVVZOKIL-JTQLQIEISA-N 1 2 244.289 1.195 20 0 BDADLO CC=CC=CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156537937 963379197 /nfs/dbraw/zinc/37/91/97/963379197.db2.gz DSJGPGAAIFVECV-WZWXSLMZSA-N 1 2 219.288 1.721 20 0 BDADLO CC=CC=CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156537937 963379204 /nfs/dbraw/zinc/37/92/04/963379204.db2.gz DSJGPGAAIFVECV-WZWXSLMZSA-N 1 2 219.288 1.721 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001203212883 963768824 /nfs/dbraw/zinc/76/88/24/963768824.db2.gz YAYGAQRQGQKSGB-GHMZBOCLSA-N 1 2 220.320 1.817 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001203212883 963768831 /nfs/dbraw/zinc/76/88/31/963768831.db2.gz YAYGAQRQGQKSGB-GHMZBOCLSA-N 1 2 220.320 1.817 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1ccc(Cl)cn1 ZINC001161946310 964829767 /nfs/dbraw/zinc/82/97/67/964829767.db2.gz VMNYFHPCKBMBFT-MRVPVSSYSA-N 1 2 243.694 1.037 20 0 BDADLO Oc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001204094023 966891332 /nfs/dbraw/zinc/89/13/32/966891332.db2.gz VBDAAASMSJPTLR-UHFFFAOYSA-N 1 2 205.257 1.367 20 0 BDADLO Oc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001204094023 966891340 /nfs/dbraw/zinc/89/13/40/966891340.db2.gz VBDAAASMSJPTLR-UHFFFAOYSA-N 1 2 205.257 1.367 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)n1 ZINC001204374614 966981658 /nfs/dbraw/zinc/98/16/58/966981658.db2.gz MZAQEEBSOSEICU-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)n1 ZINC001204374614 966981661 /nfs/dbraw/zinc/98/16/61/966981661.db2.gz MZAQEEBSOSEICU-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cn1ccnc1C[NH+]1CC2(C1)CCOCC2 ZINC001205132198 967376532 /nfs/dbraw/zinc/37/65/32/967376532.db2.gz ADYKUIKYEKPBKM-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO O[C@H](C[N@@H+]1CCc2occc2C1)C(F)(F)F ZINC001250977429 968232309 /nfs/dbraw/zinc/23/23/09/968232309.db2.gz YFUVCBINKZNRMC-SECBINFHSA-N 1 2 235.205 1.561 20 0 BDADLO O[C@H](C[N@H+]1CCc2occc2C1)C(F)(F)F ZINC001250977429 968232318 /nfs/dbraw/zinc/23/23/18/968232318.db2.gz YFUVCBINKZNRMC-SECBINFHSA-N 1 2 235.205 1.561 20 0 BDADLO OCC1C[NH+](Cc2sccc2Cl)C1 ZINC000164423401 968518677 /nfs/dbraw/zinc/51/86/77/968518677.db2.gz SVZBUBCHAKIBOM-UHFFFAOYSA-N 1 2 217.721 1.826 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CO[C@@H](C)C2)[nH+]c1C ZINC000822506120 968523302 /nfs/dbraw/zinc/52/33/02/968523302.db2.gz KCLLQWZZKNXKET-XVKPBYJWSA-N 1 2 237.303 1.068 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252116848 968601713 /nfs/dbraw/zinc/60/17/13/968601713.db2.gz ZCQGHZKETJBIGU-QWRGUYRKSA-N 1 2 231.336 1.469 20 0 BDADLO CCCCOC[C@H](O)C[NH+]1CC(OCCC)C1 ZINC001252512309 968762226 /nfs/dbraw/zinc/76/22/26/968762226.db2.gz QTCNPCYMKFWVPC-GFCCVEGCSA-N 1 2 245.363 1.275 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CCCOC1 ZINC001207462063 968784084 /nfs/dbraw/zinc/78/40/84/968784084.db2.gz SLSVLGWKJAIOLD-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CCCOC1 ZINC001207462063 968784092 /nfs/dbraw/zinc/78/40/92/968784092.db2.gz SLSVLGWKJAIOLD-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001208725535 969208646 /nfs/dbraw/zinc/20/86/46/969208646.db2.gz PFXZBVYWNZODSG-MRVPVSSYSA-N 1 2 238.287 1.150 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1CCc2oc(C)nc2C1 ZINC001208725535 969208651 /nfs/dbraw/zinc/20/86/51/969208651.db2.gz PFXZBVYWNZODSG-MRVPVSSYSA-N 1 2 238.287 1.150 20 0 BDADLO CCCCC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC001253547260 969221571 /nfs/dbraw/zinc/22/15/71/969221571.db2.gz IDDUTBVFVNYWCJ-LLVKDONJSA-N 1 2 211.309 1.441 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@H]1CCC=CO1 ZINC001208874385 969260998 /nfs/dbraw/zinc/26/09/98/969260998.db2.gz VFCMHMZDRIQXSK-LLVKDONJSA-N 1 2 219.288 1.601 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@H]1CCC=CO1 ZINC001208874385 969261006 /nfs/dbraw/zinc/26/10/06/969261006.db2.gz VFCMHMZDRIQXSK-LLVKDONJSA-N 1 2 219.288 1.601 20 0 BDADLO CC(C)Oc1cc(NCCC(N)=O)cc[nH+]1 ZINC001168954105 969294356 /nfs/dbraw/zinc/29/43/56/969294356.db2.gz GPDIQLOLXIGDOW-UHFFFAOYSA-N 1 2 223.276 1.156 20 0 BDADLO C1=C[C@@H]2C[C@H]1C[C@@H]2OCC[NH+]1CCOCC1 ZINC001210209274 969832705 /nfs/dbraw/zinc/83/27/05/969832705.db2.gz ZNFVRJYPJLRAJE-XQQFMLRXSA-N 1 2 223.316 1.300 20 0 BDADLO CC1(C)CCC([NH+]2CC(F)(CO)C2)CC1 ZINC001255303482 970074574 /nfs/dbraw/zinc/07/45/74/970074574.db2.gz XTJPHMOSUHZNAR-UHFFFAOYSA-N 1 2 215.312 1.971 20 0 BDADLO COC[C@@H](C)[NH2+]C1(C(=O)OC)CCCC1 ZINC001255557618 970332427 /nfs/dbraw/zinc/33/24/27/970332427.db2.gz XLBYMGJYWCZGTE-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)COC)[C@@H](C)CC ZINC001255559462 970338030 /nfs/dbraw/zinc/33/80/30/970338030.db2.gz FDMOBVNUEHXPFL-DCAQKATOSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H](c1nnc([C@@H]2CCOC2)o1)[NH+](C)C ZINC001255556372 970335093 /nfs/dbraw/zinc/33/50/93/970335093.db2.gz PRMGLZMQOIAUJT-JGVFFNPUSA-N 1 2 211.265 1.196 20 0 BDADLO CC[C@H]1C[C@@H]([N@@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206922 970577666 /nfs/dbraw/zinc/57/76/66/970577666.db2.gz INMDYDBOUGQWBN-QWRGUYRKSA-N 1 2 239.319 1.767 20 0 BDADLO COC(=O)C[C@@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC000304537498 970610940 /nfs/dbraw/zinc/61/09/40/970610940.db2.gz RVCLWLZQBOVOJO-ZCFIWIBFSA-N 1 2 243.694 1.681 20 0 BDADLO CCSC[C@@H](C)[NH2+][C@H](C(=O)OC)C(C)C ZINC001173293062 975168759 /nfs/dbraw/zinc/16/87/59/975168759.db2.gz WABQSBNDVRWLBJ-ZJUUUORDSA-N 1 2 233.377 1.915 20 0 BDADLO CC[N@@H+]1CC[C@@H](NCc2ccc(C)n2C)C1 ZINC001173352802 975299729 /nfs/dbraw/zinc/29/97/29/975299729.db2.gz VLJVTZIPIYZENF-GFCCVEGCSA-N 1 2 221.348 1.517 20 0 BDADLO CC[N@H+]1CC[C@@H](NCc2ccc(C)n2C)C1 ZINC001173352802 975299736 /nfs/dbraw/zinc/29/97/36/975299736.db2.gz VLJVTZIPIYZENF-GFCCVEGCSA-N 1 2 221.348 1.517 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC001334159928 976340625 /nfs/dbraw/zinc/34/06/25/976340625.db2.gz KLGJEHHPDWXRRS-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC001334159928 976340637 /nfs/dbraw/zinc/34/06/37/976340637.db2.gz KLGJEHHPDWXRRS-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO Fc1cncc(F)c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC001335594174 977170762 /nfs/dbraw/zinc/17/07/62/977170762.db2.gz MRSKQSFCRJYVBA-WRWORJQWSA-N 1 2 210.227 1.954 20 0 BDADLO Fc1cncc(F)c1C[N@H+]1CC[C@H]2C[C@H]21 ZINC001335594174 977170775 /nfs/dbraw/zinc/17/07/75/977170775.db2.gz MRSKQSFCRJYVBA-WRWORJQWSA-N 1 2 210.227 1.954 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]1 ZINC001336569470 977788071 /nfs/dbraw/zinc/78/80/71/977788071.db2.gz NKXTVPXFJUOLSL-ZJUUUORDSA-N 1 2 224.279 1.736 20 0 BDADLO Oc1cncc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001232044290 977870906 /nfs/dbraw/zinc/87/09/06/977870906.db2.gz ONRRAFDGKUTGAK-LBPRGKRZSA-N 1 2 220.272 1.152 20 0 BDADLO Oc1cncc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001232044290 977870908 /nfs/dbraw/zinc/87/09/08/977870908.db2.gz ONRRAFDGKUTGAK-LBPRGKRZSA-N 1 2 220.272 1.152 20 0 BDADLO COCC[N@H+](C)Cc1nc(Cl)ccc1F ZINC001232157312 977897911 /nfs/dbraw/zinc/89/79/11/977897911.db2.gz QWNWQVMUWWVCTP-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COCC[N@@H+](C)Cc1nc(Cl)ccc1F ZINC001232157312 977897914 /nfs/dbraw/zinc/89/79/14/977897914.db2.gz QWNWQVMUWWVCTP-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(Cl)ccc1F ZINC001232155165 977898488 /nfs/dbraw/zinc/89/84/88/977898488.db2.gz FZXBXQVFBBPELN-SFYZADRCSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(Cl)ccc1F ZINC001232155165 977898495 /nfs/dbraw/zinc/89/84/95/977898495.db2.gz FZXBXQVFBBPELN-SFYZADRCSA-N 1 2 244.697 1.829 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232157908 977898435 /nfs/dbraw/zinc/89/84/35/977898435.db2.gz DICGERFYVBMJPA-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232157908 977898439 /nfs/dbraw/zinc/89/84/39/977898439.db2.gz DICGERFYVBMJPA-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO COCC[NH+](CCOC)Cc1cnsc1 ZINC001232223301 977951957 /nfs/dbraw/zinc/95/19/57/977951957.db2.gz FSQVOYOMSXQAQO-UHFFFAOYSA-N 1 2 230.333 1.238 20 0 BDADLO CN(CC(=O)C(C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC001336864248 978011840 /nfs/dbraw/zinc/01/18/40/978011840.db2.gz MTAODROMOLZIHW-UHFFFAOYSA-N 1 2 237.303 1.026 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1ccc(N)nc1 ZINC001232370266 978047141 /nfs/dbraw/zinc/04/71/41/978047141.db2.gz XHAIOTZPLITEPZ-UHFFFAOYSA-N 1 2 218.260 1.284 20 0 BDADLO CCCN(CC(=O)OCC)Cc1c[nH+]c(C)[nH]1 ZINC001232465048 978111164 /nfs/dbraw/zinc/11/11/64/978111164.db2.gz RWWWGIUJOIRWOR-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO CCCN(CC(=O)OCC)Cc1c[nH]c(C)[nH+]1 ZINC001232465048 978111170 /nfs/dbraw/zinc/11/11/70/978111170.db2.gz RWWWGIUJOIRWOR-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO Cc1cccc(F)c1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001232481928 978135219 /nfs/dbraw/zinc/13/52/19/978135219.db2.gz KVUWXSMEIXVDAB-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO Cc1cccc(F)c1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001232481928 978135226 /nfs/dbraw/zinc/13/52/26/978135226.db2.gz KVUWXSMEIXVDAB-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO CCc1ncoc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC001337115818 978171423 /nfs/dbraw/zinc/17/14/23/978171423.db2.gz VBQWFKYOEHBLMS-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1ncoc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC001337115818 978171431 /nfs/dbraw/zinc/17/14/31/978171431.db2.gz VBQWFKYOEHBLMS-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc[nH]1 ZINC001176873372 978217324 /nfs/dbraw/zinc/21/73/24/978217324.db2.gz JZMQDIFDMCBORD-UHFFFAOYSA-N 1 2 204.233 1.240 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@@H]2CCC(C)(C)O2)n1 ZINC001176887662 978234551 /nfs/dbraw/zinc/23/45/51/978234551.db2.gz UHZFALZGAUPAKC-LBPRGKRZSA-N 1 2 237.347 1.810 20 0 BDADLO COc1cc(O)cc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC001232803865 978298537 /nfs/dbraw/zinc/29/85/37/978298537.db2.gz QMCDQDWCDORYME-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)sn1 ZINC001233310196 978534688 /nfs/dbraw/zinc/53/46/88/978534688.db2.gz VNYYHCGXZXZEIX-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)sn1 ZINC001233310196 978534698 /nfs/dbraw/zinc/53/46/98/978534698.db2.gz VNYYHCGXZXZEIX-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)sn1 ZINC001233310195 978533004 /nfs/dbraw/zinc/53/30/04/978533004.db2.gz VNYYHCGXZXZEIX-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC001233314352 978545240 /nfs/dbraw/zinc/54/52/40/978545240.db2.gz SYYOWBNPGNBRJF-PSASIEDQSA-N 1 2 245.706 1.108 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC001233314352 978545254 /nfs/dbraw/zinc/54/52/54/978545254.db2.gz SYYOWBNPGNBRJF-PSASIEDQSA-N 1 2 245.706 1.108 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C(C)C)[nH+]1 ZINC001178662733 978604479 /nfs/dbraw/zinc/60/44/79/978604479.db2.gz XWJKLCSQMQMBLY-UHFFFAOYSA-N 1 2 207.277 1.555 20 0 BDADLO C[C@@H](C(=O)Nc1cnoc1)n1cc[nH+]c1 ZINC001338141269 978619970 /nfs/dbraw/zinc/61/99/70/978619970.db2.gz IAXWUKKTMZNCHH-ZETCQYMHSA-N 1 2 206.205 1.071 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)sc1C ZINC001233685787 978674964 /nfs/dbraw/zinc/67/49/64/978674964.db2.gz SHVHORYSEPQOQK-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)sc1C ZINC001233685787 978674974 /nfs/dbraw/zinc/67/49/74/978674974.db2.gz SHVHORYSEPQOQK-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO COCC1C[NH+](Cc2cc(OC)ncc2F)C1 ZINC001235322005 979022559 /nfs/dbraw/zinc/02/25/59/979022559.db2.gz YKAAIMYPYUQOEE-UHFFFAOYSA-N 1 2 240.278 1.308 20 0 BDADLO CC/C=C/NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181278893 979030923 /nfs/dbraw/zinc/03/09/23/979030923.db2.gz CAGZFDVQEAQLPX-HWKANZROSA-N 1 2 205.261 1.246 20 0 BDADLO C[Si](C)(C)CNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181279883 979031542 /nfs/dbraw/zinc/03/15/42/979031542.db2.gz NZPPUDNBBNNHMI-UHFFFAOYSA-N 1 2 237.379 1.200 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCC[C@@H](F)C(=O)C1 ZINC001235540774 979085737 /nfs/dbraw/zinc/08/57/37/979085737.db2.gz NXBBACRZRCNMOF-SNVBAGLBSA-N 1 2 239.294 1.232 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1CCCC[C@@H]1F)C(F)F ZINC001340764308 979094862 /nfs/dbraw/zinc/09/48/62/979094862.db2.gz PJEILBWDWBKKSB-XLPZGREQSA-N 1 2 238.253 1.366 20 0 BDADLO CCOc1ccc(F)c(F)c1C[N@H+](C)CCO ZINC001236257018 979462496 /nfs/dbraw/zinc/46/24/96/979462496.db2.gz YSJNRULYSSSKBV-UHFFFAOYSA-N 1 2 245.269 1.788 20 0 BDADLO CCOc1ccc(F)c(F)c1C[N@@H+](C)CCO ZINC001236257018 979462502 /nfs/dbraw/zinc/46/25/02/979462502.db2.gz YSJNRULYSSSKBV-UHFFFAOYSA-N 1 2 245.269 1.788 20 0 BDADLO COc1cc(Cl)cc(F)c1C[N@H+](C)CCO ZINC001236256580 979477263 /nfs/dbraw/zinc/47/72/63/979477263.db2.gz PCLQQMXAOYLDSZ-UHFFFAOYSA-N 1 2 247.697 1.912 20 0 BDADLO COc1cc(Cl)cc(F)c1C[N@@H+](C)CCO ZINC001236256580 979477265 /nfs/dbraw/zinc/47/72/65/979477265.db2.gz PCLQQMXAOYLDSZ-UHFFFAOYSA-N 1 2 247.697 1.912 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236613050 979673419 /nfs/dbraw/zinc/67/34/19/979673419.db2.gz FECVHWNSNNAAOD-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236613050 979673420 /nfs/dbraw/zinc/67/34/20/979673420.db2.gz FECVHWNSNNAAOD-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236607212 979676012 /nfs/dbraw/zinc/67/60/12/979676012.db2.gz CHMLKSKAKHDWNR-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236607212 979676017 /nfs/dbraw/zinc/67/60/17/979676017.db2.gz CHMLKSKAKHDWNR-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001605478162 979879900 /nfs/dbraw/zinc/87/99/00/979879900.db2.gz VKMSBCDOLULKPR-KKOKHZNYSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001605478162 979879907 /nfs/dbraw/zinc/87/99/07/979879907.db2.gz VKMSBCDOLULKPR-KKOKHZNYSA-N 1 2 240.347 1.170 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccc(C)cn1 ZINC000716467422 980141692 /nfs/dbraw/zinc/14/16/92/980141692.db2.gz XNLBJIHVSHUVOT-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO C/C=C(\C)C(=O)OCCCc1c[nH+]cn1C ZINC001346235195 980794284 /nfs/dbraw/zinc/79/42/84/980794284.db2.gz IMIOTEGVHSFBKB-ONNFQVAWSA-N 1 2 222.288 1.862 20 0 BDADLO CCc1nc(C(=O)N2CC[NH+](C)CC2)cs1 ZINC001190033195 980842706 /nfs/dbraw/zinc/84/27/06/980842706.db2.gz ZRNLJFLPZWVCSJ-UHFFFAOYSA-N 1 2 239.344 1.093 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC(F)(F)F ZINC001346846503 980921774 /nfs/dbraw/zinc/92/17/74/980921774.db2.gz GSCMXWCUSFGBQD-UHFFFAOYSA-N 1 2 249.236 1.421 20 0 BDADLO CON(C(=O)CCc1c[nH+]cn1C)C(C)C ZINC001347690173 981144063 /nfs/dbraw/zinc/14/40/63/981144063.db2.gz RUKRZSFYPCZERI-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[C@H](CC(=O)OCC(C)(C)O)n1cc[nH+]c1 ZINC001348293012 981327313 /nfs/dbraw/zinc/32/73/13/981327313.db2.gz WPFKHAHOMZGHMK-SECBINFHSA-N 1 2 226.276 1.148 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)OCCF ZINC001194934611 981974356 /nfs/dbraw/zinc/97/43/56/981974356.db2.gz DSQBOKGATURZIQ-UHFFFAOYSA-N 1 2 223.207 1.852 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001195157000 982140670 /nfs/dbraw/zinc/14/06/70/982140670.db2.gz NSEGRWZCEPNPTD-QWRGUYRKSA-N 1 2 244.335 1.232 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@]23CCOC3)n1 ZINC001203177001 982641980 /nfs/dbraw/zinc/64/19/80/982641980.db2.gz LUPUQVPIBCHHQM-GFCCVEGCSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@]23CCOC3)n1 ZINC001203177001 982641987 /nfs/dbraw/zinc/64/19/87/982641987.db2.gz LUPUQVPIBCHHQM-GFCCVEGCSA-N 1 2 219.288 1.150 20 0 BDADLO CC[C@H](C)NC(=S)Nc1cc[nH+]cc1C ZINC001200464731 983022973 /nfs/dbraw/zinc/02/29/73/983022973.db2.gz JELJQTJCJQMMNN-VIFPVBQESA-N 1 2 223.345 1.897 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(F)c(CO)c1 ZINC001241787910 983048757 /nfs/dbraw/zinc/04/87/57/983048757.db2.gz GDTITRXBCZMAHU-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO CCCC[C@@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC001252087983 983469044 /nfs/dbraw/zinc/46/90/44/983469044.db2.gz IDETXJDHEPMYPP-VXGBXAGGSA-N 1 2 214.353 1.173 20 0 BDADLO Cn1c[nH+]cc1COC1CC2(COC2)C1 ZINC001222595104 972591934 /nfs/dbraw/zinc/59/19/34/972591934.db2.gz OQRRJPWDUZCGIF-UHFFFAOYSA-N 1 2 208.261 1.116 20 0 BDADLO CCCOC(=O)[C@H](C)OCc1c[nH+]cn1C ZINC001222595298 972597534 /nfs/dbraw/zinc/59/75/34/972597534.db2.gz WBXVPPDNUBJLJP-VIFPVBQESA-N 1 2 226.276 1.278 20 0 BDADLO CO[C@H]1CCCC[C@@H]1OCc1c[nH+]cn1C ZINC001222600474 972601728 /nfs/dbraw/zinc/60/17/28/972601728.db2.gz QJNQCDBTBMDIOM-RYUDHWBXSA-N 1 2 224.304 1.894 20 0 BDADLO C[N@H+](Cc1cncs1)Cc1ccc(O)cn1 ZINC001144263400 972736720 /nfs/dbraw/zinc/73/67/20/972736720.db2.gz YLINEKQOFWWNDH-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cncs1)Cc1ccc(O)cn1 ZINC001144263400 972736739 /nfs/dbraw/zinc/73/67/39/972736739.db2.gz YLINEKQOFWWNDH-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO CNC(=O)Cc1ccccc1-c1ccc[nH+]c1N ZINC001243474839 970766177 /nfs/dbraw/zinc/76/61/77/970766177.db2.gz SKONDNUVCRGQMX-UHFFFAOYSA-N 1 2 241.294 1.619 20 0 BDADLO CC(C)Cc1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)o1 ZINC001256457827 970847940 /nfs/dbraw/zinc/84/79/40/970847940.db2.gz WGVGGGMMLOZAFU-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)Cc1nnc([C@@H]2C[C@H](O)C[N@H+]2C)o1 ZINC001256457827 970847947 /nfs/dbraw/zinc/84/79/47/970847947.db2.gz WGVGGGMMLOZAFU-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC001256477972 970849144 /nfs/dbraw/zinc/84/91/44/970849144.db2.gz FJYMHLFXSUCYTF-DVVUODLYSA-N 1 2 219.288 1.359 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+]C1CCC(CC)CC1 ZINC001256865894 971001048 /nfs/dbraw/zinc/00/10/48/971001048.db2.gz FBHGUHUZKMNSHN-MCIGGMRASA-N 1 2 243.347 1.469 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403707582 971025554 /nfs/dbraw/zinc/02/55/54/971025554.db2.gz DYYAFJBJFYSVHI-GMTAPVOTSA-N 1 2 233.315 1.505 20 0 BDADLO COCc1cc(C2=C[NH2+]CCC2)nc(C)n1 ZINC001243948244 971035248 /nfs/dbraw/zinc/03/52/48/971035248.db2.gz WRTSLICXZZMOMR-UHFFFAOYSA-N 1 2 219.288 1.656 20 0 BDADLO COc1ncc(C2=C[NH2+]CCC2)nc1OC ZINC001243950116 971041494 /nfs/dbraw/zinc/04/14/94/971041494.db2.gz NGDIJZAQOLMTHG-UHFFFAOYSA-N 1 2 221.260 1.218 20 0 BDADLO CCOC(=O)C1([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001257074600 971090006 /nfs/dbraw/zinc/09/00/06/971090006.db2.gz QRPPLXRMALFRLG-NXEZZACHSA-N 1 2 241.331 1.628 20 0 BDADLO O=S(=O)(CCNc1cccc[nH+]1)CC1CC1 ZINC000390785970 973934457 /nfs/dbraw/zinc/93/44/57/973934457.db2.gz PILQRHSLCXNHHP-UHFFFAOYSA-N 1 2 240.328 1.318 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@@H](CC(=O)OC)C(=O)OC ZINC001257244255 971138864 /nfs/dbraw/zinc/13/88/64/971138864.db2.gz LQAXWFMWZUJADY-ZJUUUORDSA-N 1 2 245.319 1.259 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCC[C@@H](O)C2)c1 ZINC001158364701 971187978 /nfs/dbraw/zinc/18/79/78/971187978.db2.gz LKZDLYAADVAJHU-NWDGAFQWSA-N 1 2 236.315 1.943 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)n[nH]1 ZINC001257312726 971205860 /nfs/dbraw/zinc/20/58/60/971205860.db2.gz YVOHATMENIJAOI-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)n[nH]1 ZINC001257312726 971205868 /nfs/dbraw/zinc/20/58/68/971205868.db2.gz YVOHATMENIJAOI-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO CCCCCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001257359977 971273350 /nfs/dbraw/zinc/27/33/50/971273350.db2.gz GDEWHGONPQKIDJ-NEPJUHHUSA-N 1 2 245.363 1.859 20 0 BDADLO CCCCCC[C@@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257360193 971274820 /nfs/dbraw/zinc/27/48/20/971274820.db2.gz LMSHZPFZAGUNEU-GHMZBOCLSA-N 1 2 231.336 1.469 20 0 BDADLO CCCC[C@H](CC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001257423702 971324373 /nfs/dbraw/zinc/32/43/73/971324373.db2.gz UUERYCMNYNAWHT-JTQLQIEISA-N 1 2 233.377 1.684 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC001217697654 971336766 /nfs/dbraw/zinc/33/67/66/971336766.db2.gz RARTYBSLJJRLAS-VIFPVBQESA-N 1 2 247.254 1.300 20 0 BDADLO CC(C)Cc1nnc([C@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217696908 971333579 /nfs/dbraw/zinc/33/35/79/971333579.db2.gz SKFGNMNFYOZSHS-RKDXNWHRSA-N 1 2 225.292 1.054 20 0 BDADLO O[C@@H]1CC[NH2+][C@@H](c2nnc(C3CCCC3)o2)C1 ZINC001217696341 971335872 /nfs/dbraw/zinc/33/58/72/971335872.db2.gz ODGPXMCHBCCOQI-NXEZZACHSA-N 1 2 237.303 1.513 20 0 BDADLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H](C)CC)cn1 ZINC001257435658 971345382 /nfs/dbraw/zinc/34/53/82/971345382.db2.gz AHWZXCAXWWUFFL-ONGXEEELSA-N 1 2 239.319 1.287 20 0 BDADLO CC[C@@H](C)[NH2+][C@H](Cc1cccnc1)C(=O)OC ZINC001257436445 971349138 /nfs/dbraw/zinc/34/91/38/971349138.db2.gz PUWNUSLXJDEDEF-ZYHUDNBSSA-N 1 2 236.315 1.554 20 0 BDADLO COc1cc(CO)cc(-c2cc[nH+]c(N)c2)c1 ZINC001244840224 971447442 /nfs/dbraw/zinc/44/74/42/971447442.db2.gz JVEXXEGETAEQJL-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO COc1ncc(-c2c[nH+]c(N)c(C)c2)cc1O ZINC001244846904 971456501 /nfs/dbraw/zinc/45/65/01/971456501.db2.gz RIDQGHTVTPKGCS-UHFFFAOYSA-N 1 2 231.255 1.748 20 0 BDADLO Cc1cc(CO[C@H]2C[C@H](O)C2)cc(C)[nH+]1 ZINC001217898063 971500263 /nfs/dbraw/zinc/50/02/63/971500263.db2.gz SCQGFVKOZJUZSW-HAQNSBGRSA-N 1 2 207.273 1.738 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\c2cnccn2)o1 ZINC001257945702 971545251 /nfs/dbraw/zinc/54/52/51/971545251.db2.gz ZDOIMRDYCSWPHX-ARJAWSKDSA-N 1 2 231.259 1.092 20 0 BDADLO Cc1cc(=O)cc(O[C@@H]2C[NH2+]CC2(F)F)[nH]1 ZINC001218232607 971642234 /nfs/dbraw/zinc/64/22/34/971642234.db2.gz DWBLRNPLFNNWIR-MRVPVSSYSA-N 1 2 230.214 1.082 20 0 BDADLO FC1(F)C[NH2+]C[C@@H]1Oc1ccc(C2CC2)cn1 ZINC001218237355 971648519 /nfs/dbraw/zinc/64/85/19/971648519.db2.gz UWTCGBKEJHZQGL-JTQLQIEISA-N 1 2 240.253 1.945 20 0 BDADLO Nc1cccc(O[C@@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001218272528 971669388 /nfs/dbraw/zinc/66/93/88/971669388.db2.gz MJXANNNXACKBJE-JTQLQIEISA-N 1 2 228.242 1.645 20 0 BDADLO CCC=C[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001170768425 971771939 /nfs/dbraw/zinc/77/19/39/971771939.db2.gz VXMKJUHKXZZNCP-ONEGZZNKSA-N 1 2 203.245 1.912 20 0 BDADLO Nc1cc(N2C[C@@H]3CCCC[C@@H]3C2)[nH+]cn1 ZINC000309747532 971822633 /nfs/dbraw/zinc/82/26/33/971822633.db2.gz YEVSBAUTHBTYQU-AOOOYVTPSA-N 1 2 218.304 1.685 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1nnnn1C ZINC000189817984 972010107 /nfs/dbraw/zinc/01/01/07/972010107.db2.gz FKKMXLXATRKICY-IUCAKERBSA-N 1 2 232.291 1.017 20 0 BDADLO CC(C)=CC(=O)NCCc1cn(C)c[nH+]1 ZINC000313276677 972073687 /nfs/dbraw/zinc/07/36/87/972073687.db2.gz YRQOXFCPZIJYLE-UHFFFAOYSA-N 1 2 207.277 1.045 20 0 BDADLO CC[C@@H](C)C[C@@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220240078 972193171 /nfs/dbraw/zinc/19/31/71/972193171.db2.gz DNAOOHCYYOGFCA-RKDXNWHRSA-N 1 2 216.300 1.239 20 0 BDADLO CC(C)CCC[C@@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220249850 972196003 /nfs/dbraw/zinc/19/60/03/972196003.db2.gz DLHRCECFIZMJBJ-SNVBAGLBSA-N 1 2 230.327 1.629 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccccn2)CCC1=O ZINC001204055443 972220291 /nfs/dbraw/zinc/22/02/91/972220291.db2.gz GLJSJDZFHNZOIM-LLVKDONJSA-N 1 2 218.300 1.883 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccccn2)CCC1=O ZINC001204055443 972220296 /nfs/dbraw/zinc/22/02/96/972220296.db2.gz GLJSJDZFHNZOIM-LLVKDONJSA-N 1 2 218.300 1.883 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc(C)c1F ZINC001143374176 957038159 /nfs/dbraw/zinc/03/81/59/957038159.db2.gz NYAJFOZNMJIPFQ-NWDGAFQWSA-N 1 2 241.281 1.957 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc(C)c1F ZINC001143374176 957038175 /nfs/dbraw/zinc/03/81/75/957038175.db2.gz NYAJFOZNMJIPFQ-NWDGAFQWSA-N 1 2 241.281 1.957 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1C[C@H](C)C(F)(F)F ZINC001208899565 957226176 /nfs/dbraw/zinc/22/61/76/957226176.db2.gz HAVWSRFHSKYLNC-DTWKUNHWSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@@H]1COCC[N@H+]1C[C@H](C)C(F)(F)F ZINC001208899565 957226187 /nfs/dbraw/zinc/22/61/87/957226187.db2.gz HAVWSRFHSKYLNC-DTWKUNHWSA-N 1 2 241.253 1.532 20 0 BDADLO COCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209214098 957356076 /nfs/dbraw/zinc/35/60/76/957356076.db2.gz KZXFWZJXBQRCBJ-JTQLQIEISA-N 1 2 237.290 1.363 20 0 BDADLO COCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209214098 957356084 /nfs/dbraw/zinc/35/60/84/957356084.db2.gz KZXFWZJXBQRCBJ-JTQLQIEISA-N 1 2 237.290 1.363 20 0 BDADLO c1ccc(OCC[NH+]2CC3(C2)CCCO3)cc1 ZINC001209295075 957386292 /nfs/dbraw/zinc/38/62/92/957386292.db2.gz DQYWQHUCTXXTRM-UHFFFAOYSA-N 1 2 233.311 1.930 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001209553854 957503440 /nfs/dbraw/zinc/50/34/40/957503440.db2.gz CVEQOVDIEWPXIJ-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCC[C@H](O)C1 ZINC001209553854 957503450 /nfs/dbraw/zinc/50/34/50/957503450.db2.gz CVEQOVDIEWPXIJ-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)[nH]1 ZINC001209570486 957510405 /nfs/dbraw/zinc/51/04/05/957510405.db2.gz OYKSEDZLACWGKS-NSHDSACASA-N 1 2 224.279 1.826 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)[nH]1 ZINC001209570486 957510413 /nfs/dbraw/zinc/51/04/13/957510413.db2.gz OYKSEDZLACWGKS-NSHDSACASA-N 1 2 224.279 1.826 20 0 BDADLO CN(C)c1cc(N2C[C@H]3[C@H](CF)[C@H]3C2)nc[nH+]1 ZINC001167222204 957553878 /nfs/dbraw/zinc/55/38/78/957553878.db2.gz CCGTWAWVCLRTHB-OWUUHHOZSA-N 1 2 236.294 1.194 20 0 BDADLO CN(C)c1cc(N2C[C@H]3[C@H](CF)[C@H]3C2)[nH+]cn1 ZINC001167222204 957553883 /nfs/dbraw/zinc/55/38/83/957553883.db2.gz CCGTWAWVCLRTHB-OWUUHHOZSA-N 1 2 236.294 1.194 20 0 BDADLO Cc1cc(C)c(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)cn1 ZINC000397398989 957621133 /nfs/dbraw/zinc/62/11/33/957621133.db2.gz FVPDECWFLMGASV-WPRPVWTQSA-N 1 2 248.286 1.129 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cn3ccccc3n2)CC[C@@H]1F ZINC001136875897 972286421 /nfs/dbraw/zinc/28/64/21/972286421.db2.gz KBSWLCPBNPHRMG-NWDGAFQWSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)CC[C@@H]1F ZINC001136875897 972286426 /nfs/dbraw/zinc/28/64/26/972286426.db2.gz KBSWLCPBNPHRMG-NWDGAFQWSA-N 1 2 249.289 1.239 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1cnc[nH]1 ZINC001136871834 972288119 /nfs/dbraw/zinc/28/81/19/972288119.db2.gz LXWVIRWDADPXDK-UHFFFAOYSA-N 1 2 219.292 1.128 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1cnc[nH]1 ZINC001136871834 972288121 /nfs/dbraw/zinc/28/81/21/972288121.db2.gz LXWVIRWDADPXDK-UHFFFAOYSA-N 1 2 219.292 1.128 20 0 BDADLO Nc1cc(NC2CC(=O)C2)[nH+]c(C(F)(F)F)c1 ZINC001167335827 957793133 /nfs/dbraw/zinc/79/31/33/957793133.db2.gz KFIWHYMYSSLUPB-UHFFFAOYSA-N 1 2 245.204 1.826 20 0 BDADLO C[C@H]1C[C@@H](CO)N(Cc2[nH+]cc3ccccn32)C1 ZINC001207048125 957843371 /nfs/dbraw/zinc/84/33/71/957843371.db2.gz HFVHZHFQNVQGHJ-AAEUAGOBSA-N 1 2 245.326 1.537 20 0 BDADLO COc1ccc(Nc2cc(C)[nH+]c(OC)c2)nn1 ZINC001210776046 957876142 /nfs/dbraw/zinc/87/61/42/957876142.db2.gz LDYZOUHDVUHXJP-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO Nc1cccc(C[NH+]2CC(C(F)F)C2)n1 ZINC000706492309 957917197 /nfs/dbraw/zinc/91/71/97/957917197.db2.gz RWYUUVNYLVGXOQ-UHFFFAOYSA-N 1 2 213.231 1.361 20 0 BDADLO Cc1cccn2c(CN3CCC34COC4)c[nH+]c12 ZINC001136964265 972305184 /nfs/dbraw/zinc/30/51/84/972305184.db2.gz GGLXAIGYNHHVMR-UHFFFAOYSA-N 1 2 243.310 1.617 20 0 BDADLO CCN1CC[C@@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000398062572 958024427 /nfs/dbraw/zinc/02/44/27/958024427.db2.gz MZYCOPIQWQRQEE-NXEZZACHSA-N 1 2 218.291 1.858 20 0 BDADLO Cc1c[nH+]cc(Nc2oncc2C(N)=O)c1C ZINC001213527659 958212133 /nfs/dbraw/zinc/21/21/33/958212133.db2.gz XOIRFNINHZABPN-UHFFFAOYSA-N 1 2 232.243 1.529 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2c[nH]nn2)[C@@H]2CCCO[C@H]21 ZINC000398356221 958229574 /nfs/dbraw/zinc/22/95/74/958229574.db2.gz HWUAVRZUPHFOTJ-HBNTYKKESA-N 1 2 236.319 1.098 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2cn[nH]n2)[C@@H]2CCCO[C@H]21 ZINC000398356221 958229587 /nfs/dbraw/zinc/22/95/87/958229587.db2.gz HWUAVRZUPHFOTJ-HBNTYKKESA-N 1 2 236.319 1.098 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1F ZINC001137022053 972330645 /nfs/dbraw/zinc/33/06/45/972330645.db2.gz NGRRVLOTXUIRPE-QWHCGFSZSA-N 1 2 237.274 1.231 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1F ZINC001137022053 972330648 /nfs/dbraw/zinc/33/06/48/972330648.db2.gz NGRRVLOTXUIRPE-QWHCGFSZSA-N 1 2 237.274 1.231 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCc1csnn1 ZINC000398403785 958244700 /nfs/dbraw/zinc/24/47/00/958244700.db2.gz IRIDEQBNYQWAFQ-UHFFFAOYSA-N 1 2 245.311 1.459 20 0 BDADLO CCOC(=O)C1CC(OCCn2cc[nH+]c2)C1 ZINC001222135179 972380560 /nfs/dbraw/zinc/38/05/60/972380560.db2.gz XETVNDQYAKVQSG-UHFFFAOYSA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)[C@]1(CO)CC[N@H+](Cc2cnsn2)C1 ZINC001327052083 972381433 /nfs/dbraw/zinc/38/14/33/972381433.db2.gz IPMREHAJUHHMDB-LLVKDONJSA-N 1 2 241.360 1.379 20 0 BDADLO CC(C)[C@]1(CO)CC[N@@H+](Cc2cnsn2)C1 ZINC001327052083 972381436 /nfs/dbraw/zinc/38/14/36/972381436.db2.gz IPMREHAJUHHMDB-LLVKDONJSA-N 1 2 241.360 1.379 20 0 BDADLO FC1(F)CC(OCCn2cc[nH+]c2)C1 ZINC001222135413 972382548 /nfs/dbraw/zinc/38/25/48/972382548.db2.gz YMBOUTRDPNALFD-UHFFFAOYSA-N 1 2 202.204 1.697 20 0 BDADLO COC[C@H](C)OC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222138941 972383705 /nfs/dbraw/zinc/38/37/05/972383705.db2.gz MLTYLYFRAVDJAE-NWDGAFQWSA-N 1 2 242.319 1.340 20 0 BDADLO Nc1cnn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213085339 959041872 /nfs/dbraw/zinc/04/18/72/959041872.db2.gz CEYHMHYLXXMNJC-UHFFFAOYSA-N 1 2 225.255 1.845 20 0 BDADLO CC(=O)CNc1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001167631146 959142830 /nfs/dbraw/zinc/14/28/30/959142830.db2.gz VDCFAHWQXXOHND-UHFFFAOYSA-N 1 2 249.314 1.228 20 0 BDADLO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)C(C)(C)C1 ZINC000724701915 959214529 /nfs/dbraw/zinc/21/45/29/959214529.db2.gz NNTSAUDGKUNFPB-YUMQZZPRSA-N 1 2 234.290 1.616 20 0 BDADLO Cc1cccc(-c2noc([C@H]([NH3+])[C@@H](C)O)n2)c1C ZINC000405138402 959403065 /nfs/dbraw/zinc/40/30/65/959403065.db2.gz VYQCZJYASQDBCN-MWLCHTKSSA-N 1 2 247.298 1.734 20 0 BDADLO CON(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001350925064 959422014 /nfs/dbraw/zinc/42/20/14/959422014.db2.gz YXPLUSMYILDRKU-JTQLQIEISA-N 1 2 237.303 1.244 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccc(O)cc1)C(F)F ZINC000724769921 959428769 /nfs/dbraw/zinc/42/87/69/959428769.db2.gz DNGHMGOMSRDCRF-MRVPVSSYSA-N 1 2 230.214 1.313 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc(N)nc2)C[C@H]1F ZINC000309313643 959851196 /nfs/dbraw/zinc/85/11/96/959851196.db2.gz XXXHGXGOVFDPBD-PSASIEDQSA-N 1 2 224.283 1.239 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc(N)nc2)C[C@H]1F ZINC000309313643 959851197 /nfs/dbraw/zinc/85/11/97/959851197.db2.gz XXXHGXGOVFDPBD-PSASIEDQSA-N 1 2 224.283 1.239 20 0 BDADLO Nc1ccc(F)c(C[N@@H+]2CCCOCC2)c1F ZINC000393852086 959923024 /nfs/dbraw/zinc/92/30/24/959923024.db2.gz UFLYPHVVBCJXSK-UHFFFAOYSA-N 1 2 242.269 1.769 20 0 BDADLO Nc1ccc(F)c(C[N@H+]2CCCOCC2)c1F ZINC000393852086 959923034 /nfs/dbraw/zinc/92/30/34/959923034.db2.gz UFLYPHVVBCJXSK-UHFFFAOYSA-N 1 2 242.269 1.769 20 0 BDADLO C/C(=C\C=C\[NH3+])N[C@@H]1NC(=O)c2ccccc21 ZINC001171126770 972469345 /nfs/dbraw/zinc/46/93/45/972469345.db2.gz OKMCEWWPEYPBLL-YDPUKQJPSA-N 1 2 229.283 1.394 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)C(F)F ZINC000694817761 960006211 /nfs/dbraw/zinc/00/62/11/960006211.db2.gz IPMMLZGJEWREGM-HTQZYQBOSA-N 1 2 241.303 1.197 20 0 BDADLO CCOC(=[NH2+])c1ccc(O[C@H]2C[C@H](O)C2)cc1 ZINC001218366749 960007996 /nfs/dbraw/zinc/00/79/96/960007996.db2.gz RJZKTRPHJPNQRA-UMSPYCQHSA-N 1 2 235.283 1.951 20 0 BDADLO OCC[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1 ZINC000694966871 960060956 /nfs/dbraw/zinc/06/09/56/960060956.db2.gz SFEGOVUECYVJAL-IJVDHGTGSA-N 1 2 247.338 1.783 20 0 BDADLO OCC[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1 ZINC000694966871 960060972 /nfs/dbraw/zinc/06/09/72/960060972.db2.gz SFEGOVUECYVJAL-IJVDHGTGSA-N 1 2 247.338 1.783 20 0 BDADLO CC(=O)NCC[N@H+](Cc1ccns1)C1CC1 ZINC001481156469 960133270 /nfs/dbraw/zinc/13/32/70/960133270.db2.gz SMABRZOKLJJLGI-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)NCC[N@@H+](Cc1ccns1)C1CC1 ZINC001481156469 960133275 /nfs/dbraw/zinc/13/32/75/960133275.db2.gz SMABRZOKLJJLGI-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO CC[NH2+][C@@H](CC)CNC(=O)[C@@H](F)C(F)(F)F ZINC001267805242 960381674 /nfs/dbraw/zinc/38/16/74/960381674.db2.gz OKLNCYSTQBKFKS-NKWVEPMBSA-N 1 2 244.232 1.391 20 0 BDADLO CC[NH2+][C@@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001267805242 960381668 /nfs/dbraw/zinc/38/16/68/960381668.db2.gz OKLNCYSTQBKFKS-NKWVEPMBSA-N 1 2 244.232 1.391 20 0 BDADLO COc1ccc(C[NH+]2CC(NC(C)=O)C2)c(C)c1 ZINC001140677968 960482086 /nfs/dbraw/zinc/48/20/86/960482086.db2.gz IDOFMJRPQZDDJM-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO Nc1ccc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000695841982 960506391 /nfs/dbraw/zinc/50/63/91/960506391.db2.gz HBUJIJCIQOUEDT-URLYPYJESA-N 1 2 231.299 1.326 20 0 BDADLO FC1(F)CCN(C2C[NH+](Cc3cc[nH]c3)C2)C1 ZINC001140707424 960518286 /nfs/dbraw/zinc/51/82/86/960518286.db2.gz JRYULAKJHVVWOG-UHFFFAOYSA-N 1 2 241.285 1.540 20 0 BDADLO Nc1cccc(F)c1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001140872777 960663031 /nfs/dbraw/zinc/66/30/31/960663031.db2.gz KDHSPHIOHBYBDD-IUCAKERBSA-N 1 2 242.269 1.313 20 0 BDADLO Nc1cccc(F)c1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001140872777 960663043 /nfs/dbraw/zinc/66/30/43/960663043.db2.gz KDHSPHIOHBYBDD-IUCAKERBSA-N 1 2 242.269 1.313 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001327267035 972523811 /nfs/dbraw/zinc/52/38/11/972523811.db2.gz JPDCITHUDXSHSS-VHSKPIJISA-N 1 2 246.318 1.666 20 0 BDADLO COc1ccc(C[N@@H+]2CCC23COC3)cc1N ZINC001140898803 960678796 /nfs/dbraw/zinc/67/87/96/960678796.db2.gz BDMCXOZBNAZPLY-UHFFFAOYSA-N 1 2 234.299 1.252 20 0 BDADLO COc1ccc(C[N@H+]2CCC23COC3)cc1N ZINC001140898803 960678804 /nfs/dbraw/zinc/67/88/04/960678804.db2.gz BDMCXOZBNAZPLY-UHFFFAOYSA-N 1 2 234.299 1.252 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)n[nH]1 ZINC001203081480 960741151 /nfs/dbraw/zinc/74/11/51/960741151.db2.gz AEWRPHSXNVUHAQ-RTCCRHLQSA-N 1 2 209.268 1.365 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)n[nH]1 ZINC001203081480 960741170 /nfs/dbraw/zinc/74/11/70/960741170.db2.gz AEWRPHSXNVUHAQ-RTCCRHLQSA-N 1 2 209.268 1.365 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC001203082993 960768881 /nfs/dbraw/zinc/76/88/81/960768881.db2.gz FIPDKJHWZVMCHR-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC001203082993 960768893 /nfs/dbraw/zinc/76/88/93/960768893.db2.gz FIPDKJHWZVMCHR-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO Oc1c(F)cc(C[NH+]2CCC(O)CC2)cc1F ZINC001140989976 960781737 /nfs/dbraw/zinc/78/17/37/960781737.db2.gz YQRAEKHJEUVDSK-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO c1snnc1C[N@@H+](CC1CC1)C1CC1 ZINC001140999398 960801995 /nfs/dbraw/zinc/80/19/95/960801995.db2.gz YJKGDWQNTFSDGU-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO c1snnc1C[N@H+](CC1CC1)C1CC1 ZINC001140999398 960801997 /nfs/dbraw/zinc/80/19/97/960801997.db2.gz YJKGDWQNTFSDGU-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO c1coc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC001141007313 960805431 /nfs/dbraw/zinc/80/54/31/960805431.db2.gz HIZDZWWXFAGABD-SNVBAGLBSA-N 1 2 233.275 1.103 20 0 BDADLO c1coc(C[N@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC001141007313 960805433 /nfs/dbraw/zinc/80/54/33/960805433.db2.gz HIZDZWWXFAGABD-SNVBAGLBSA-N 1 2 233.275 1.103 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2ncco2)C1 ZINC001141008428 960809890 /nfs/dbraw/zinc/80/98/90/960809890.db2.gz BXRLONBAIIZRDR-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2ncco2)C1 ZINC001141008428 960809893 /nfs/dbraw/zinc/80/98/93/960809893.db2.gz BXRLONBAIIZRDR-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2ncco2)C1 ZINC001141010737 960811048 /nfs/dbraw/zinc/81/10/48/960811048.db2.gz GNJYHCHBOQVDSY-JTQLQIEISA-N 1 2 208.261 1.476 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC001141010737 960811049 /nfs/dbraw/zinc/81/10/49/960811049.db2.gz GNJYHCHBOQVDSY-JTQLQIEISA-N 1 2 208.261 1.476 20 0 BDADLO c1coc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)n1 ZINC001141010304 960811876 /nfs/dbraw/zinc/81/18/76/960811876.db2.gz MJDUUOSNNKIBFP-NSHDSACASA-N 1 2 245.282 1.723 20 0 BDADLO c1coc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)n1 ZINC001141010304 960811877 /nfs/dbraw/zinc/81/18/77/960811877.db2.gz MJDUUOSNNKIBFP-NSHDSACASA-N 1 2 245.282 1.723 20 0 BDADLO O=C1CCN(Cc2ccn3cc[nH+]c3c2)CC1 ZINC001141047476 960832656 /nfs/dbraw/zinc/83/26/56/960832656.db2.gz JGPIYZSDHGCTCD-UHFFFAOYSA-N 1 2 229.283 1.499 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141047525 960837214 /nfs/dbraw/zinc/83/72/14/960837214.db2.gz LBODQCWZRGDGRK-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccn2ccnc2c1 ZINC001141047525 960837224 /nfs/dbraw/zinc/83/72/24/960837224.db2.gz LBODQCWZRGDGRK-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCc2cnccc2C1 ZINC001141050754 960840914 /nfs/dbraw/zinc/84/09/14/960840914.db2.gz HJPYIWJQIKZXHM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncoc1C[N@H+]1CCc2cnccc2C1 ZINC001141050754 960840923 /nfs/dbraw/zinc/84/09/23/960840923.db2.gz HJPYIWJQIKZXHM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO O=C1CCC[N@H+](Cc2ccn3ccnc3c2)CC1 ZINC001141048509 960842928 /nfs/dbraw/zinc/84/29/28/960842928.db2.gz MTUKLCPIUGRNRY-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCC[N@@H+](Cc2ccn3ccnc3c2)CC1 ZINC001141048509 960842930 /nfs/dbraw/zinc/84/29/30/960842930.db2.gz MTUKLCPIUGRNRY-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCCN(Cc2ccn3cc[nH+]c3c2)CC1 ZINC001141048509 960842937 /nfs/dbraw/zinc/84/29/37/960842937.db2.gz MTUKLCPIUGRNRY-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cocn1 ZINC001141128750 960874549 /nfs/dbraw/zinc/87/45/49/960874549.db2.gz XHVQBLUYEINFGX-CYBMUJFWSA-N 1 2 249.314 1.261 20 0 BDADLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cocn1 ZINC001141128750 960874552 /nfs/dbraw/zinc/87/45/52/960874552.db2.gz XHVQBLUYEINFGX-CYBMUJFWSA-N 1 2 249.314 1.261 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1cocn1 ZINC001141130504 960882212 /nfs/dbraw/zinc/88/22/12/960882212.db2.gz RBXHDRHNJVOQGD-UHFFFAOYSA-N 1 2 220.276 1.393 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1cocn1 ZINC001141130504 960882220 /nfs/dbraw/zinc/88/22/20/960882220.db2.gz RBXHDRHNJVOQGD-UHFFFAOYSA-N 1 2 220.276 1.393 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](F)C[C@H]2C)cn1 ZINC001203103056 960909146 /nfs/dbraw/zinc/90/91/46/960909146.db2.gz OHRFLEOJAPQKAV-KCJUWKMLSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](F)C[C@H]2C)cn1 ZINC001203103056 960909162 /nfs/dbraw/zinc/90/91/62/960909162.db2.gz OHRFLEOJAPQKAV-KCJUWKMLSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](F)C[C@H]2C)cn1 ZINC001203103059 960915053 /nfs/dbraw/zinc/91/50/53/960915053.db2.gz OHRFLEOJAPQKAV-LDYMZIIASA-N 1 2 209.268 1.717 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](F)C[C@H]2C)cn1 ZINC001203103059 960915078 /nfs/dbraw/zinc/91/50/78/960915078.db2.gz OHRFLEOJAPQKAV-LDYMZIIASA-N 1 2 209.268 1.717 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1SCCS1 ZINC000692861154 960957205 /nfs/dbraw/zinc/95/72/05/960957205.db2.gz IILZYFUTFCNECM-UHFFFAOYSA-N 1 2 229.374 1.614 20 0 BDADLO C/C(=C\c1ccco1)C(=O)NCCn1cc[nH+]c1 ZINC001141601235 961122231 /nfs/dbraw/zinc/12/22/31/961122231.db2.gz IAEXTTUDQWJCDN-PKNBQFBNSA-N 1 2 245.282 1.696 20 0 BDADLO CC(=O)OCc1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC001141781660 961151373 /nfs/dbraw/zinc/15/13/73/961151373.db2.gz BMEOJQKYZSPRBB-JTQLQIEISA-N 1 2 241.262 1.887 20 0 BDADLO CC(=O)OCc1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC001141781660 961151384 /nfs/dbraw/zinc/15/13/84/961151384.db2.gz BMEOJQKYZSPRBB-JTQLQIEISA-N 1 2 241.262 1.887 20 0 BDADLO COC(=O)c1cc(NC=[NH2+])nc2[nH]ccc21 ZINC001167864850 961333227 /nfs/dbraw/zinc/33/32/27/961333227.db2.gz QFDVHZCXODZYBV-UHFFFAOYSA-N 1 2 218.216 1.368 20 0 BDADLO [S-]c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204675331 961400847 /nfs/dbraw/zinc/40/08/47/961400847.db2.gz MEOCEKQONMFQKI-UHFFFAOYSA-N 1 2 222.357 1.771 20 0 BDADLO [S-]c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204675331 961400854 /nfs/dbraw/zinc/40/08/54/961400854.db2.gz MEOCEKQONMFQKI-UHFFFAOYSA-N 1 2 222.357 1.771 20 0 BDADLO O=C(CC1(O)CCC1)Nc1cc[nH+]c2c1CCC2 ZINC001142614963 961534791 /nfs/dbraw/zinc/53/47/91/961534791.db2.gz DXVDKWSHXCETSK-UHFFFAOYSA-N 1 2 246.310 1.236 20 0 BDADLO Cc1nc(N[C@H]2CCN(C)C2=O)cc(C(C)C)[nH+]1 ZINC000709786647 961579496 /nfs/dbraw/zinc/57/94/96/961579496.db2.gz MEJUPPLLDCXUNX-JTQLQIEISA-N 1 2 248.330 1.551 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)C1(CCF)CC1 ZINC001481704159 961603032 /nfs/dbraw/zinc/60/30/32/961603032.db2.gz LDCJMQYGAAAINR-SNVBAGLBSA-N 1 2 246.301 1.286 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)C1(CCF)CC1 ZINC001481704159 961603039 /nfs/dbraw/zinc/60/30/39/961603039.db2.gz LDCJMQYGAAAINR-SNVBAGLBSA-N 1 2 246.301 1.286 20 0 BDADLO c1cc2c(nccc2C[NH+]2CC3(CCO3)C2)[nH]1 ZINC001142878952 961811705 /nfs/dbraw/zinc/81/17/05/961811705.db2.gz BCFCEWISBRCBLQ-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccn2ccnc12 ZINC001142943692 961847157 /nfs/dbraw/zinc/84/71/57/961847157.db2.gz BQLPVTJFIQWHEG-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccn2ccnc12 ZINC001142943692 961847170 /nfs/dbraw/zinc/84/71/70/961847170.db2.gz BQLPVTJFIQWHEG-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO O=C1CCCN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143027587 961868724 /nfs/dbraw/zinc/86/87/24/961868724.db2.gz OZFJNLQBDCQJDG-UHFFFAOYSA-N 1 2 229.283 1.499 20 0 BDADLO CCOC(=O)CN(C)Cc1ccc2[nH+]ccn2c1 ZINC001143022541 961868919 /nfs/dbraw/zinc/86/89/19/961868919.db2.gz RGGKCVHWIXLJRF-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO Cc1nc(CN(C)Cc2ccc(C)[nH+]c2N)no1 ZINC001143196603 961923539 /nfs/dbraw/zinc/92/35/39/961923539.db2.gz DHNWGFUBQJHVKG-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3cccnc3[nH]2)CCO1 ZINC001143216974 961953744 /nfs/dbraw/zinc/95/37/44/961953744.db2.gz OQYPULIDHWXXHM-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3cccnc3[nH]2)CCO1 ZINC001143216974 961953759 /nfs/dbraw/zinc/95/37/59/961953759.db2.gz OQYPULIDHWXXHM-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO Cn1ccc2cc(C(=O)NC3C[NH+](C)C3)ccc21 ZINC001149235188 962048576 /nfs/dbraw/zinc/04/85/76/962048576.db2.gz QFFWMMYXMJNJDM-UHFFFAOYSA-N 1 2 243.310 1.222 20 0 BDADLO CCCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC000045877198 962074312 /nfs/dbraw/zinc/07/43/12/962074312.db2.gz UZKCWOHUVLWJRH-JTQLQIEISA-N 1 2 209.293 1.703 20 0 BDADLO COc1ccccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001203434827 962118654 /nfs/dbraw/zinc/11/86/54/962118654.db2.gz RYOPZXJWAINLKS-TXEJJXNPSA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001203434827 962118676 /nfs/dbraw/zinc/11/86/76/962118676.db2.gz RYOPZXJWAINLKS-TXEJJXNPSA-N 1 2 219.284 1.668 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)[C@]1(C)C[C@@H]3C=C[C@H]1C3)C2 ZINC001269080930 962446557 /nfs/dbraw/zinc/44/65/57/962446557.db2.gz RATNRUQDSUBDIW-MBNYWOFBSA-N 1 2 246.354 1.505 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)[C@]1(C)C[C@@H]3C=C[C@H]1C3)C2 ZINC001269080930 962446563 /nfs/dbraw/zinc/44/65/63/962446563.db2.gz RATNRUQDSUBDIW-MBNYWOFBSA-N 1 2 246.354 1.505 20 0 BDADLO CN(CC1COC1)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152976384 962506171 /nfs/dbraw/zinc/50/61/71/962506171.db2.gz MXBAZSVUONHHOS-UHFFFAOYSA-N 1 2 245.282 1.281 20 0 BDADLO COCC1CN(C(=O)c2c[nH]c3cc[nH+]cc32)C1 ZINC001152969465 962509890 /nfs/dbraw/zinc/50/98/90/962509890.db2.gz QYBCYMMLEBECJC-UHFFFAOYSA-N 1 2 245.282 1.281 20 0 BDADLO CC(C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001269196733 962522597 /nfs/dbraw/zinc/52/25/97/962522597.db2.gz XZMZXPKYSKKMSP-NSHDSACASA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)CCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001269196733 962522615 /nfs/dbraw/zinc/52/26/15/962522615.db2.gz XZMZXPKYSKKMSP-NSHDSACASA-N 1 2 230.327 1.583 20 0 BDADLO O=C(N[C@H]1C[C@H]1C1CC1)c1cccc2[nH+]ccn21 ZINC001154528017 962794610 /nfs/dbraw/zinc/79/46/10/962794610.db2.gz MUECFWXFRKZKGQ-QWRGUYRKSA-N 1 2 241.294 1.863 20 0 BDADLO O=C(NC[C@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC001154526676 962794798 /nfs/dbraw/zinc/79/47/98/962794798.db2.gz ZMPOBYOHFNIHFH-SNVBAGLBSA-N 1 2 245.282 1.101 20 0 BDADLO O=C(NCc1ccc[nH]1)c1cccc2[nH+]ccn21 ZINC001154526279 962796033 /nfs/dbraw/zinc/79/60/33/962796033.db2.gz ORZCULZARUAUPB-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO Cc1c(F)cc[nH+]c1NCc1nccn1C ZINC001154615470 962811105 /nfs/dbraw/zinc/81/11/05/962811105.db2.gz LIPKQICEBKXSNL-UHFFFAOYSA-N 1 2 220.251 1.875 20 0 BDADLO CCSc1cc[nH+]c(NCCn2ccnn2)c1 ZINC001154622182 962817515 /nfs/dbraw/zinc/81/75/15/962817515.db2.gz HGRIXMYZDYFLNW-UHFFFAOYSA-N 1 2 249.343 1.897 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001154801855 962850008 /nfs/dbraw/zinc/85/00/08/962850008.db2.gz KOHXYXWEERPDCW-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001154802131 962851655 /nfs/dbraw/zinc/85/16/55/962851655.db2.gz QFMDJMRNMPCRIE-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1ccc(CNc2cc(N(C)C)nc[nH+]2)nc1 ZINC000894350576 962943084 /nfs/dbraw/zinc/94/30/84/962943084.db2.gz WHCUTDJYNRESKH-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1ccc(CNc2cc(N(C)C)[nH+]cn2)nc1 ZINC000894350576 962943097 /nfs/dbraw/zinc/94/30/97/962943097.db2.gz WHCUTDJYNRESKH-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2ncc(C3CC3)cn2)C1 ZINC001155196556 963014823 /nfs/dbraw/zinc/01/48/23/963014823.db2.gz OJCYEXXNLXMAOS-GFCCVEGCSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2ncc(C3CC3)cn2)C1 ZINC001155196556 963014836 /nfs/dbraw/zinc/01/48/36/963014836.db2.gz OJCYEXXNLXMAOS-GFCCVEGCSA-N 1 2 248.330 1.097 20 0 BDADLO COC(=O)c1[nH+]ccc(NCC(C)C)c1C ZINC001161651361 963040057 /nfs/dbraw/zinc/04/00/57/963040057.db2.gz XZAFAAVPEVCRQG-UHFFFAOYSA-N 1 2 222.288 1.666 20 0 BDADLO Cc1nc(N2C[C@@H](C)OC[C@H]2C)c2c([nH+]1)CCC2 ZINC001155428809 963075028 /nfs/dbraw/zinc/07/50/28/963075028.db2.gz GBIZVCBCGOJYKO-NXEZZACHSA-N 1 2 247.342 1.887 20 0 BDADLO NC(=[NH2+])N(c1ccc(F)cc1)c1ncncc1F ZINC001167994334 963179811 /nfs/dbraw/zinc/17/98/11/963179811.db2.gz HTDBOSKSUSCPRZ-UHFFFAOYSA-N 1 2 249.224 1.786 20 0 BDADLO Cc1nc(N2CCOCC23CC3)c(C)c(C)[nH+]1 ZINC001155851950 963188081 /nfs/dbraw/zinc/18/80/81/963188081.db2.gz HIZWHTAQWOKNAZ-UHFFFAOYSA-N 1 2 233.315 1.771 20 0 BDADLO COc1cc(C)c[nH+]c1NCc1nonc1C ZINC001156087843 963260479 /nfs/dbraw/zinc/26/04/79/963260479.db2.gz MQISOVPCTJFFSS-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO C=C(F)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270931925 963302939 /nfs/dbraw/zinc/30/29/39/963302939.db2.gz IJOSWAXYYLMTJI-UHFFFAOYSA-N 1 2 249.289 1.142 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)C2(CC2)C1 ZINC001156418099 963339862 /nfs/dbraw/zinc/33/98/62/963339862.db2.gz BIQUQMMEKVTBAT-QMMMGPOBSA-N 1 2 204.277 1.438 20 0 BDADLO CSc1nc(N[C@@H](C)CCO)cc(C)[nH+]1 ZINC001156450123 963355958 /nfs/dbraw/zinc/35/59/58/963355958.db2.gz QGVHMPXZQPAVBS-ZETCQYMHSA-N 1 2 227.333 1.690 20 0 BDADLO CCc1[nH]c(CNC(=O)COCC2CC2)c[nH+]1 ZINC001156538370 963380580 /nfs/dbraw/zinc/38/05/80/963380580.db2.gz SJLPFFVHXOFVOB-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CCc1[nH]cc(CNC(=O)COCC2CC2)[nH+]1 ZINC001156538370 963380588 /nfs/dbraw/zinc/38/05/88/963380588.db2.gz SJLPFFVHXOFVOB-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO C[NH2+][C@H]1CCN1c1nc2[nH]cnc2cc1Cl ZINC001156660989 963433276 /nfs/dbraw/zinc/43/32/76/963433276.db2.gz WIPSADNCCJONDU-MRVPVSSYSA-N 1 2 237.694 1.367 20 0 BDADLO Cc1[nH]nc2c1cccc2OC1C[NH+](C)C1 ZINC001227083015 963454997 /nfs/dbraw/zinc/45/49/97/963454997.db2.gz QMWLDOUWLOAFOU-UHFFFAOYSA-N 1 2 217.272 1.564 20 0 BDADLO Nc1cnc(NCc2cc[nH+]c(N)c2)c(Cl)c1 ZINC001156756576 963455507 /nfs/dbraw/zinc/45/55/07/963455507.db2.gz AIRACMYJKARNDD-UHFFFAOYSA-N 1 2 249.705 1.907 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001204384580 963456866 /nfs/dbraw/zinc/45/68/66/963456866.db2.gz ZOJVJVRUCLLBMB-GHMZBOCLSA-N 1 2 229.274 1.692 20 0 BDADLO C/C=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156799983 963466426 /nfs/dbraw/zinc/46/64/26/963466426.db2.gz MOICGYLLKABNAA-IHWYPQMZSA-N 1 2 201.229 1.849 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H](C)C(C)(F)F)[nH+]c1C ZINC000896910090 963520844 /nfs/dbraw/zinc/52/08/44/963520844.db2.gz LLMNLTYMEKQDCB-LURJTMIESA-N 1 2 245.273 1.934 20 0 BDADLO CCOC(=O)c1ccc(C)c(NC=[NH2+])n1 ZINC001157073608 963521712 /nfs/dbraw/zinc/52/17/12/963521712.db2.gz UXPUGPPLNONOJY-UHFFFAOYSA-N 1 2 207.233 1.586 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ncccn2)[nH+]1 ZINC001157124590 963534977 /nfs/dbraw/zinc/53/49/77/963534977.db2.gz NMWIKGYKFACEHU-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ncccn2)c[nH+]1 ZINC001157124590 963534983 /nfs/dbraw/zinc/53/49/83/963534983.db2.gz NMWIKGYKFACEHU-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO CC[C@@](C)(O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157124395 963535954 /nfs/dbraw/zinc/53/59/54/963535954.db2.gz KRBKYQLFHLQXLY-GFCCVEGCSA-N 1 2 239.319 1.310 20 0 BDADLO CC[C@@](C)(O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157124395 963535962 /nfs/dbraw/zinc/53/59/62/963535962.db2.gz KRBKYQLFHLQXLY-GFCCVEGCSA-N 1 2 239.319 1.310 20 0 BDADLO O=C(Nc1cnsn1)c1cccc2[nH+]ccn21 ZINC001271749809 963630881 /nfs/dbraw/zinc/63/08/81/963630881.db2.gz UWHCBEYJXQALQS-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO Cc1nc(NC[C@H]2COCCO2)c2c([nH+]1)CCC2 ZINC001157483136 963631275 /nfs/dbraw/zinc/63/12/75/963631275.db2.gz KDDGIERLFVIJOV-JTQLQIEISA-N 1 2 249.314 1.101 20 0 BDADLO C[C@]1([NH3+])CC[N@H+](Cc2ccc([S-])cc2)C1 ZINC001204800612 963636221 /nfs/dbraw/zinc/63/62/21/963636221.db2.gz FLUPGMUMKMPSEX-LBPRGKRZSA-N 1 2 222.357 1.898 20 0 BDADLO C[C@]1([NH3+])CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001204800612 963636225 /nfs/dbraw/zinc/63/62/25/963636225.db2.gz FLUPGMUMKMPSEX-LBPRGKRZSA-N 1 2 222.357 1.898 20 0 BDADLO COc1ccc[nH+]c1NCc1ccn(C)c(=O)c1 ZINC001157611791 963680354 /nfs/dbraw/zinc/68/03/54/963680354.db2.gz DLDBDLHHSLIVRH-UHFFFAOYSA-N 1 2 245.282 1.401 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C)c(C)n2)C[NH2+]1 ZINC001158253762 963839494 /nfs/dbraw/zinc/83/94/94/963839494.db2.gz AQTHXJOPTYMNRG-MNOVXSKESA-N 1 2 249.314 1.014 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)n1cc[nH+]c1 ZINC000053898578 963844294 /nfs/dbraw/zinc/84/42/94/963844294.db2.gz DXZLWJKCKBNETO-OUAUKWLOSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@@H](O)C(F)(F)F ZINC001158537593 963884666 /nfs/dbraw/zinc/88/46/66/963884666.db2.gz CEQHJXVLZRXHTK-SSDOTTSWSA-N 1 2 238.184 1.864 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(=O)C(C)(C)C1 ZINC001204387230 963952043 /nfs/dbraw/zinc/95/20/43/963952043.db2.gz JMPGQGUMPXXRLQ-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO Nc1ccc(N2C[C@H]3CCCC(=O)[C@@H]3C2)[nH+]c1 ZINC001158999795 963973025 /nfs/dbraw/zinc/97/30/25/963973025.db2.gz MQSUUQWIMGRYMY-MWLCHTKSSA-N 1 2 231.299 1.469 20 0 BDADLO CSc1ncc(C[NH+](C)C)c(Cl)n1 ZINC001142408340 964051941 /nfs/dbraw/zinc/05/19/41/964051941.db2.gz INAABWCSNFEKLW-UHFFFAOYSA-N 1 2 217.725 1.914 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168236708 964015948 /nfs/dbraw/zinc/01/59/48/964015948.db2.gz YRMCKWFTJHDZIV-JOYOIKCWSA-N 1 2 249.310 1.314 20 0 BDADLO CC(C)[NH+]1CC(OCC(=O)C(C)(C)C)C1 ZINC001204855601 964068006 /nfs/dbraw/zinc/06/80/06/964068006.db2.gz VGFLOWMEEUTVKN-UHFFFAOYSA-N 1 2 213.321 1.711 20 0 BDADLO COc1ccnc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095448 964251638 /nfs/dbraw/zinc/25/16/38/964251638.db2.gz IJXLUIQGZRUVDI-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO O=c1[nH]cc(Nc2cccc3[nH+]c[nH]c32)c(=O)[nH]1 ZINC001213028111 964463882 /nfs/dbraw/zinc/46/38/82/964463882.db2.gz HZBDFYSKBNCFAZ-UHFFFAOYSA-N 1 2 243.226 1.508 20 0 BDADLO C[C@@]1(O)C[C@H](CNc2ccn3cc(N)[nH+]c3c2)C1 ZINC001168345642 964486228 /nfs/dbraw/zinc/48/62/28/964486228.db2.gz IIABTEWBPKLVNJ-SWZMTVOYSA-N 1 2 246.314 1.489 20 0 BDADLO CCOC(=O)[C@@H](C)C1CN(c2cc[nH+]c(C)n2)C1 ZINC000872771176 964525324 /nfs/dbraw/zinc/52/53/24/964525324.db2.gz ACIZZUUQQDHUGZ-VIFPVBQESA-N 1 2 249.314 1.420 20 0 BDADLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(F)F ZINC001161303976 964566114 /nfs/dbraw/zinc/56/61/14/964566114.db2.gz MDCOXYRQBZGBAN-ZCFIWIBFSA-N 1 2 239.225 1.946 20 0 BDADLO Nc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001161695468 964690834 /nfs/dbraw/zinc/69/08/34/964690834.db2.gz JYBLHMXBECZOIN-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO CC(C)[C@H](CO)Nc1ccn2cc(N)[nH+]c2c1 ZINC001161740397 964726480 /nfs/dbraw/zinc/72/64/80/964726480.db2.gz DXDXRMWYGDBNDH-JTQLQIEISA-N 1 2 234.303 1.345 20 0 BDADLO c1cn2ccc(NC3CCOCC3)cc2[nH+]1 ZINC001161862604 964796412 /nfs/dbraw/zinc/79/64/12/964796412.db2.gz FWRXNBMTYPSKIH-UHFFFAOYSA-N 1 2 217.272 1.925 20 0 BDADLO Cc1cc2cc(NCC3COC3)[nH+]cc2[nH]1 ZINC001161945573 964830793 /nfs/dbraw/zinc/83/07/93/964830793.db2.gz FVCDPZOQXLVBMF-UHFFFAOYSA-N 1 2 217.272 1.930 20 0 BDADLO c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1 ZINC001168367771 964847265 /nfs/dbraw/zinc/84/72/65/964847265.db2.gz TWOYTFVCXUMPFK-LLVKDONJSA-N 1 2 233.315 1.357 20 0 BDADLO c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1 ZINC001168367771 964847271 /nfs/dbraw/zinc/84/72/71/964847271.db2.gz TWOYTFVCXUMPFK-LLVKDONJSA-N 1 2 233.315 1.357 20 0 BDADLO c1nc2c(cccc2C[N@@H+]2CCO[C@@H]3C[C@@H]32)[nH]1 ZINC001142692939 965037744 /nfs/dbraw/zinc/03/77/44/965037744.db2.gz RIJGHVWYOOFVBH-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2c(cccc2C[N@H+]2CCO[C@@H]3C[C@@H]32)[nH]1 ZINC001142692939 965037754 /nfs/dbraw/zinc/03/77/54/965037754.db2.gz RIJGHVWYOOFVBH-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)C[C@H]1O ZINC000299902328 965054198 /nfs/dbraw/zinc/05/41/98/965054198.db2.gz CQMAJWHEXWQAJZ-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C[C@H]1O ZINC000299902328 965054225 /nfs/dbraw/zinc/05/42/25/965054225.db2.gz CQMAJWHEXWQAJZ-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO CN(C(=O)CCNc1cc[nH+]cc1F)C1CC1 ZINC001162628234 965079813 /nfs/dbraw/zinc/07/98/13/965079813.db2.gz ZTDOFZGYCRBDOU-UHFFFAOYSA-N 1 2 237.278 1.065 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1ncnc2c1CC(=O)N2 ZINC001162654613 965090615 /nfs/dbraw/zinc/09/06/15/965090615.db2.gz CYAAJOKYAZGVEJ-UHFFFAOYSA-N 1 2 233.275 1.406 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)F ZINC001483623188 965268765 /nfs/dbraw/zinc/26/87/65/965268765.db2.gz HAHPXILMRAIXQG-NXEZZACHSA-N 1 2 248.317 1.673 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)F ZINC001483623188 965268776 /nfs/dbraw/zinc/26/87/76/965268776.db2.gz HAHPXILMRAIXQG-NXEZZACHSA-N 1 2 248.317 1.673 20 0 BDADLO CC(C)c1ccc(N2CCN(C)C(=O)C2)[nH+]c1 ZINC001163631794 965486140 /nfs/dbraw/zinc/48/61/40/965486140.db2.gz AMVNUAGSWVLNRA-UHFFFAOYSA-N 1 2 233.315 1.483 20 0 BDADLO COCC1CN(c2cc(SC)cc[nH+]2)C1 ZINC001163732859 965548445 /nfs/dbraw/zinc/54/84/45/965548445.db2.gz WKSKJTXVFDRCTQ-UHFFFAOYSA-N 1 2 224.329 1.886 20 0 BDADLO O=c1[nH]cccc1C[NH2+]Cc1nccs1 ZINC000714956901 965558273 /nfs/dbraw/zinc/55/82/73/965558273.db2.gz MXVZRSBBGWNTAB-UHFFFAOYSA-N 1 2 221.285 1.534 20 0 BDADLO CSc1cc[nH+]c(N2CC3(CC(O)C3)C2)c1 ZINC001163741021 965561632 /nfs/dbraw/zinc/56/16/32/965561632.db2.gz TVKDAJHNOBLSKR-UHFFFAOYSA-N 1 2 236.340 1.765 20 0 BDADLO Nc1cc(N2CC[C@@H](F)C(F)(F)CC2)[nH+]cn1 ZINC001163784084 965589085 /nfs/dbraw/zinc/58/90/85/965589085.db2.gz JPLXNJLUOPQGTE-SSDOTTSWSA-N 1 2 246.236 1.632 20 0 BDADLO Nc1cc(N2CC[C@H](F)C(F)(F)CC2)[nH+]cn1 ZINC001163784085 965590262 /nfs/dbraw/zinc/59/02/62/965590262.db2.gz JPLXNJLUOPQGTE-ZETCQYMHSA-N 1 2 246.236 1.632 20 0 BDADLO CCC[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001272455442 965617555 /nfs/dbraw/zinc/61/75/55/965617555.db2.gz ZOYOVXAZRUUVRI-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CO[C@@H]1CN(c2cccc(C3CC3)[nH+]2)C[C@@H]1OC ZINC001164001563 965687377 /nfs/dbraw/zinc/68/73/77/965687377.db2.gz NOSGOVCGOMZNQI-BETUJISGSA-N 1 2 248.326 1.809 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc2cc[nH]c2cn1 ZINC001164019674 965693728 /nfs/dbraw/zinc/69/37/28/965693728.db2.gz VJMHEUZHXOQXIQ-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO Nc1cc(N2CCC[C@@H](F)C(F)(F)C2)[nH+]cn1 ZINC001164065429 965728263 /nfs/dbraw/zinc/72/82/63/965728263.db2.gz YHNSBZDYYOTVPL-SSDOTTSWSA-N 1 2 246.236 1.632 20 0 BDADLO CC[C@H](C)[C@H](N/C(C)=C/C=C/[NH3+])C(=O)OC ZINC001164134726 965753153 /nfs/dbraw/zinc/75/31/53/965753153.db2.gz DXPDOICXNFIVMJ-UXCPHRIESA-N 1 2 226.320 1.540 20 0 BDADLO Nc1ccc(N2CCCC(=O)[C@@H](F)C2)[nH+]c1 ZINC001164132216 965754358 /nfs/dbraw/zinc/75/43/58/965754358.db2.gz DNDDEEBYKKHGFP-VIFPVBQESA-N 1 2 223.251 1.171 20 0 BDADLO Cc1cc(NC[C@@H]2CCC(=O)N2)ccc1[NH+](C)C ZINC001164172108 965776712 /nfs/dbraw/zinc/77/67/12/965776712.db2.gz WTVOPSCHEOBHTF-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1nc(N2[C@@H](C)CC[C@H]2CO)c2c([nH+]1)CCC2 ZINC001164308108 965838876 /nfs/dbraw/zinc/83/88/76/965838876.db2.gz UCWPKLZPLMNVDI-ONGXEEELSA-N 1 2 247.342 1.623 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCOC3)c(C)[nH+]1 ZINC001234602278 965853424 /nfs/dbraw/zinc/85/34/24/965853424.db2.gz ZZSHPKNECDKTJW-UHFFFAOYSA-N 1 2 221.304 1.249 20 0 BDADLO Cc1cc(C)nc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164488609 965894850 /nfs/dbraw/zinc/89/48/50/965894850.db2.gz JHDBLVBHWSUGGC-UHFFFAOYSA-N 1 2 242.273 1.138 20 0 BDADLO Cc1c[nH+]c(N2CCN(CCF)CC2)cc1C ZINC001165103675 965957370 /nfs/dbraw/zinc/95/73/70/965957370.db2.gz VXYFVMIIODQCAL-UHFFFAOYSA-N 1 2 237.322 1.790 20 0 BDADLO Cc1nc(N2CC[C@](C)(O)C2)c2c([nH+]1)CCC2 ZINC001165229833 965998425 /nfs/dbraw/zinc/99/84/25/965998425.db2.gz SWXCRLLTULXMSC-ZDUSSCGKSA-N 1 2 233.315 1.235 20 0 BDADLO CN(C[C@@H](O)CO)c1[nH+]ccc2ccccc21 ZINC001165528823 966115416 /nfs/dbraw/zinc/11/54/16/966115416.db2.gz MLGMQCIDRHFBPS-LLVKDONJSA-N 1 2 232.283 1.024 20 0 BDADLO Cc1cc(N(C)C[C@@H](O)CO)[nH+]c2ccccc12 ZINC001165533340 966120313 /nfs/dbraw/zinc/12/03/13/966120313.db2.gz VBCVAAOPMNGRLP-LLVKDONJSA-N 1 2 246.310 1.333 20 0 BDADLO CC(C)c1ccc(N2CCN(C(N)=O)CC2)[nH+]c1 ZINC001166572809 966306147 /nfs/dbraw/zinc/30/61/47/966306147.db2.gz JGENTRMLKBBKGE-UHFFFAOYSA-N 1 2 248.330 1.406 20 0 BDADLO CCN(CCC(N)=O)c1nc(C)[nH+]c(C)c1C ZINC001166589847 966314479 /nfs/dbraw/zinc/31/44/79/966314479.db2.gz NZOIMBIZJRVKMY-UHFFFAOYSA-N 1 2 236.319 1.104 20 0 BDADLO CCc1csc(C[N@H+](C)CCO)n1 ZINC001236255520 966326121 /nfs/dbraw/zinc/32/61/21/966326121.db2.gz FUUZGQFQUSPZOT-UHFFFAOYSA-N 1 2 200.307 1.130 20 0 BDADLO CCc1csc(C[N@@H+](C)CCO)n1 ZINC001236255520 966326132 /nfs/dbraw/zinc/32/61/32/966326132.db2.gz FUUZGQFQUSPZOT-UHFFFAOYSA-N 1 2 200.307 1.130 20 0 BDADLO Cc1cc2cc(N[C@H]3CCN(C)C3=O)[nH+]cc2[nH]1 ZINC001166654411 966349751 /nfs/dbraw/zinc/34/97/51/966349751.db2.gz IZHDAOYBSXPZBB-JTQLQIEISA-N 1 2 244.298 1.514 20 0 BDADLO CN(CC1(C)COC1)c1ccc(Cl)c(N)[nH+]1 ZINC001166711950 966375972 /nfs/dbraw/zinc/37/59/72/966375972.db2.gz QBQIDDYQFSCEKL-UHFFFAOYSA-N 1 2 241.722 1.790 20 0 BDADLO c1cc(C2CC2)[nH+]c(N2C[C@@H]3C[C@H]2CO3)c1 ZINC001166755992 966395270 /nfs/dbraw/zinc/39/52/70/966395270.db2.gz ZNCHAVYFZYNWQY-QWRGUYRKSA-N 1 2 216.284 1.937 20 0 BDADLO CCCc1cc(N(CC)C2COC2)nc(C)[nH+]1 ZINC001166942237 966467678 /nfs/dbraw/zinc/46/76/78/966467678.db2.gz KEUJNTVNSXNKRN-UHFFFAOYSA-N 1 2 235.331 1.963 20 0 BDADLO COc1cc(C)c[nH+]c1N1C[C@H]2CC[C@@H](C1)C2=O ZINC001166947042 966468989 /nfs/dbraw/zinc/46/89/89/966468989.db2.gz SGFNVUMQAGWOIJ-PHIMTYICSA-N 1 2 246.310 1.814 20 0 BDADLO Cc1nc(N(C)CC2COC2)c2c([nH+]1)CCC2 ZINC001166949337 966478180 /nfs/dbraw/zinc/47/81/80/966478180.db2.gz USOZYLFTLLERCV-UHFFFAOYSA-N 1 2 233.315 1.356 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)c2c([nH+]1)CCC2 ZINC001166967366 966494183 /nfs/dbraw/zinc/49/41/83/966494183.db2.gz SQFPERBHZXWQBX-UWVGGRQHSA-N 1 2 247.342 1.887 20 0 BDADLO CN(c1cc(N)cc(Cl)[nH+]1)C1(C)COC1 ZINC001166985448 966509577 /nfs/dbraw/zinc/50/95/77/966509577.db2.gz ZOVYLSGZTXZFFK-UHFFFAOYSA-N 1 2 227.695 1.542 20 0 BDADLO CC(C)c1ccc(N2CCN(C)C(=O)[C@@H]2C)[nH+]c1 ZINC001167035943 966532449 /nfs/dbraw/zinc/53/24/49/966532449.db2.gz KLFFZPUDXWKCAO-NSHDSACASA-N 1 2 247.342 1.872 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203207683 966550619 /nfs/dbraw/zinc/55/06/19/966550619.db2.gz OASCGGJLCZIZAW-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203207683 966550630 /nfs/dbraw/zinc/55/06/30/966550630.db2.gz OASCGGJLCZIZAW-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203207683 966550642 /nfs/dbraw/zinc/55/06/42/966550642.db2.gz OASCGGJLCZIZAW-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203207683 966550646 /nfs/dbraw/zinc/55/06/46/966550646.db2.gz OASCGGJLCZIZAW-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203207683 966550654 /nfs/dbraw/zinc/55/06/54/966550654.db2.gz OASCGGJLCZIZAW-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO COc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)o1 ZINC001127646254 966555510 /nfs/dbraw/zinc/55/55/10/966555510.db2.gz LPYCKXIQMUNTHR-UHFFFAOYSA-N 1 2 246.266 1.974 20 0 BDADLO COC(=O)CC1C[NH+](Cc2ccccc2F)C1 ZINC001203353375 966608964 /nfs/dbraw/zinc/60/89/64/966608964.db2.gz YEGJHINZUJZSDM-UHFFFAOYSA-N 1 2 237.274 1.821 20 0 BDADLO Cc1ccc(Nc2cnc(C(N)=O)cn2)c(C)[nH+]1 ZINC001203370167 966617774 /nfs/dbraw/zinc/61/77/74/966617774.db2.gz HAVCMYYLTUYEJL-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO CNc1ccc(Nc2ncc(C)nc2OC)c[nH+]1 ZINC001203449843 966655973 /nfs/dbraw/zinc/65/59/73/966655973.db2.gz MZZOXRDZUULVLW-UHFFFAOYSA-N 1 2 245.286 1.974 20 0 BDADLO Fc1ccc([C@@H]2CC[N@H+](Cc3nnc[nH]3)C2)cc1 ZINC001237602316 966669723 /nfs/dbraw/zinc/66/97/23/966669723.db2.gz SEHXLUIBAUHNTE-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@@H]2CC[N@@H+](Cc3nnc[nH]3)C2)cc1 ZINC001237602316 966669734 /nfs/dbraw/zinc/66/97/34/966669734.db2.gz SEHXLUIBAUHNTE-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO CCC[N@H+](CCc1ccccn1)Cc1nnc[nH]1 ZINC001237602369 966674302 /nfs/dbraw/zinc/67/43/02/966674302.db2.gz SVVMXLOXFOZYDZ-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO CCC[N@@H+](CCc1ccccn1)Cc1nnc[nH]1 ZINC001237602369 966674313 /nfs/dbraw/zinc/67/43/13/966674313.db2.gz SVVMXLOXFOZYDZ-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO Cc1nocc1NCc1[nH]c(C)c(C)[nH+]1 ZINC001203521378 966675021 /nfs/dbraw/zinc/67/50/21/966675021.db2.gz GMXHKRHNDBFAQR-UHFFFAOYSA-N 1 2 206.249 1.935 20 0 BDADLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CCO)C3 ZINC000527394526 966718190 /nfs/dbraw/zinc/71/81/90/966718190.db2.gz JGJYVHNDTYISHT-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CCO)C3 ZINC000527394526 966718198 /nfs/dbraw/zinc/71/81/98/966718198.db2.gz JGJYVHNDTYISHT-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO CC(C)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805780 966805206 /nfs/dbraw/zinc/80/52/06/966805206.db2.gz VQMPOKJRVDKNLV-ZETCQYMHSA-N 1 2 244.232 1.249 20 0 BDADLO CC(C)C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127805780 966805207 /nfs/dbraw/zinc/80/52/07/966805207.db2.gz VQMPOKJRVDKNLV-ZETCQYMHSA-N 1 2 244.232 1.249 20 0 BDADLO O=C1CCC[C@]2(CCC[N@H+](Cc3ncc[nH]3)C2)N1 ZINC001203974632 966835610 /nfs/dbraw/zinc/83/56/10/966835610.db2.gz HKQNTVOCLXSVMC-CYBMUJFWSA-N 1 2 248.330 1.044 20 0 BDADLO O=C1CCC[C@]2(CCC[N@@H+](Cc3ncc[nH]3)C2)N1 ZINC001203974632 966835613 /nfs/dbraw/zinc/83/56/13/966835613.db2.gz HKQNTVOCLXSVMC-CYBMUJFWSA-N 1 2 248.330 1.044 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc[nH]2)C1 ZINC001204009971 966841601 /nfs/dbraw/zinc/84/16/01/966841601.db2.gz HKEKFHFPAQIKPX-UHFFFAOYSA-N 1 2 208.261 1.010 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccncc1 ZINC001204082639 966885613 /nfs/dbraw/zinc/88/56/13/966885613.db2.gz ZUFBRGKUEWBIBJ-FRRDWIJNSA-N 1 2 246.310 1.608 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccncc1 ZINC001204082639 966885614 /nfs/dbraw/zinc/88/56/14/966885614.db2.gz ZUFBRGKUEWBIBJ-FRRDWIJNSA-N 1 2 246.310 1.608 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC001204090834 966890597 /nfs/dbraw/zinc/89/05/97/966890597.db2.gz KPLUJIMCIDFYCZ-NWDGAFQWSA-N 1 2 225.263 1.297 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC001204090834 966890599 /nfs/dbraw/zinc/89/05/99/966890599.db2.gz KPLUJIMCIDFYCZ-NWDGAFQWSA-N 1 2 225.263 1.297 20 0 BDADLO CCN1C[C@@H](C)[N@H+](Cc2ccc(O)cc2)CC1=O ZINC001204096679 966890969 /nfs/dbraw/zinc/89/09/69/966890969.db2.gz OCGXLLKDGUZDOC-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(O)cc2)CC1=O ZINC001204096679 966890972 /nfs/dbraw/zinc/89/09/72/966890972.db2.gz OCGXLLKDGUZDOC-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO O[C@@H]1C[N@H+](Cc2c(F)cccc2F)CC[C@@H]1F ZINC001204202411 966921176 /nfs/dbraw/zinc/92/11/76/966921176.db2.gz BPRROUBGAPUSHP-NWDGAFQWSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@@H]1F ZINC001204202411 966921182 /nfs/dbraw/zinc/92/11/82/966921182.db2.gz BPRROUBGAPUSHP-NWDGAFQWSA-N 1 2 245.244 1.870 20 0 BDADLO Nc1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)ccn1 ZINC001168612992 966993284 /nfs/dbraw/zinc/99/32/84/966993284.db2.gz NPJSBPJJRVUVPK-NSHDSACASA-N 1 2 243.314 1.724 20 0 BDADLO Nc1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)ccn1 ZINC001168612992 966993292 /nfs/dbraw/zinc/99/32/92/966993292.db2.gz NPJSBPJJRVUVPK-NSHDSACASA-N 1 2 243.314 1.724 20 0 BDADLO CS[C@@H](C)CCN1CC2(CC[N@@H+]2C)C1 ZINC001276470887 967021433 /nfs/dbraw/zinc/02/14/33/967021433.db2.gz SNMFBCVEHATQAU-JTQLQIEISA-N 1 2 214.378 1.518 20 0 BDADLO CS[C@@H](C)CCN1CC2(CC[N@H+]2C)C1 ZINC001276470887 967021436 /nfs/dbraw/zinc/02/14/36/967021436.db2.gz SNMFBCVEHATQAU-JTQLQIEISA-N 1 2 214.378 1.518 20 0 BDADLO CC(=O)CC1(C(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000283447762 967029062 /nfs/dbraw/zinc/02/90/62/967029062.db2.gz NQMRDEFCJUJHOG-UHFFFAOYSA-N 1 2 249.314 1.484 20 0 BDADLO Nc1ccc2cn(-c3ccc[nH+]c3N)nc2c1 ZINC001212399799 967042537 /nfs/dbraw/zinc/04/25/37/967042537.db2.gz LLWXSUDSCUSDGT-UHFFFAOYSA-N 1 2 225.255 1.585 20 0 BDADLO Cc1c(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cnn1C ZINC001204569768 967057383 /nfs/dbraw/zinc/05/73/83/967057383.db2.gz OSOFSHLRHPLJGJ-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO Cc1c(C[N@H+]2CCC(=O)[C@@H](C)CC2)cnn1C ZINC001204569768 967057400 /nfs/dbraw/zinc/05/74/00/967057400.db2.gz OSOFSHLRHPLJGJ-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCCC(=O)CC1 ZINC001204577252 967062753 /nfs/dbraw/zinc/06/27/53/967062753.db2.gz UJPXTZZZCCJTKR-UHFFFAOYSA-N 1 2 221.304 1.284 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCCC(=O)CC1 ZINC001204577252 967062767 /nfs/dbraw/zinc/06/27/67/967062767.db2.gz UJPXTZZZCCJTKR-UHFFFAOYSA-N 1 2 221.304 1.284 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCc2occc2C1 ZINC001204577649 967063494 /nfs/dbraw/zinc/06/34/94/967063494.db2.gz FQMGKZQMIVGCFZ-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCc2occc2C1 ZINC001204577649 967063506 /nfs/dbraw/zinc/06/35/06/967063506.db2.gz FQMGKZQMIVGCFZ-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001204587547 967072462 /nfs/dbraw/zinc/07/24/62/967072462.db2.gz FICFJEUDGFSBFL-WDEREUQCSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cncs1 ZINC001204582819 967073447 /nfs/dbraw/zinc/07/34/47/967073447.db2.gz JXTSPBUQMJNMMW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cncs1 ZINC001204582819 967073457 /nfs/dbraw/zinc/07/34/57/967073457.db2.gz JXTSPBUQMJNMMW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO COc1ccc(C[N@H+](C)CCF)nc1C ZINC001249912575 967148200 /nfs/dbraw/zinc/14/82/00/967148200.db2.gz MPSDVUYZFXZOPL-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO COc1ccc(C[N@@H+](C)CCF)nc1C ZINC001249912575 967148204 /nfs/dbraw/zinc/14/82/04/967148204.db2.gz MPSDVUYZFXZOPL-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nc(CO)cs2)C1 ZINC001204749840 967148327 /nfs/dbraw/zinc/14/83/27/967148327.db2.gz LPTVEBMAYACQRN-JTQLQIEISA-N 1 2 242.344 1.246 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001204749840 967148339 /nfs/dbraw/zinc/14/83/39/967148339.db2.gz LPTVEBMAYACQRN-JTQLQIEISA-N 1 2 242.344 1.246 20 0 BDADLO CCN(CC)C(=O)Cc1ccn2cc[nH+]c2c1 ZINC001250010561 967270680 /nfs/dbraw/zinc/27/06/80/967270680.db2.gz BTELVNMLGPPXBT-UHFFFAOYSA-N 1 2 231.299 1.745 20 0 BDADLO CCCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001205139243 967388329 /nfs/dbraw/zinc/38/83/29/967388329.db2.gz MMYIFCAMPOXGJE-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001205139243 967388340 /nfs/dbraw/zinc/38/83/40/967388340.db2.gz MMYIFCAMPOXGJE-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1cnc2c(c1)C[N@H+](Cc1nccn1C)CC2 ZINC001205150185 967397469 /nfs/dbraw/zinc/39/74/69/967397469.db2.gz WBEKAJKAJWPBKJ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cnc2c(c1)C[N@@H+](Cc1nccn1C)CC2 ZINC001205150185 967397477 /nfs/dbraw/zinc/39/74/77/967397477.db2.gz WBEKAJKAJWPBKJ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC001205255288 967445954 /nfs/dbraw/zinc/44/59/54/967445954.db2.gz AROKRYLUPXBNGL-ZDUSSCGKSA-N 1 2 244.294 1.915 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1Cc1cccc2[nH]ccc21 ZINC001205255288 967445960 /nfs/dbraw/zinc/44/59/60/967445960.db2.gz AROKRYLUPXBNGL-ZDUSSCGKSA-N 1 2 244.294 1.915 20 0 BDADLO OCc1ccc(F)cc1CC[NH+]1CCOCC1 ZINC001250277489 967607641 /nfs/dbraw/zinc/60/76/41/967607641.db2.gz HRYOEJMVQAQBMT-UHFFFAOYSA-N 1 2 239.290 1.193 20 0 BDADLO OCc1cc(F)cc(CC[NH+]2CCOCC2)c1 ZINC001250276376 967609723 /nfs/dbraw/zinc/60/97/23/967609723.db2.gz DBYXWMPTIJDISI-UHFFFAOYSA-N 1 2 239.290 1.193 20 0 BDADLO OCC1C[NH+](Cc2ccncc2Cl)C1 ZINC000084989588 967636769 /nfs/dbraw/zinc/63/67/69/967636769.db2.gz LGHDIJOBKMNOKI-UHFFFAOYSA-N 1 2 212.680 1.159 20 0 BDADLO OCC1C[NH+](Cc2nc3ccccc3s2)C1 ZINC000084988924 967640649 /nfs/dbraw/zinc/64/06/49/967640649.db2.gz YXPNPKBTCGUKHB-UHFFFAOYSA-N 1 2 234.324 1.720 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)cn1 ZINC001205514235 967647695 /nfs/dbraw/zinc/64/76/95/967647695.db2.gz ZNVXNXVGVZFGHH-ZYHUDNBSSA-N 1 2 241.310 1.055 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)cn1 ZINC001205514235 967647706 /nfs/dbraw/zinc/64/77/06/967647706.db2.gz ZNVXNXVGVZFGHH-ZYHUDNBSSA-N 1 2 241.310 1.055 20 0 BDADLO COc1ccc(O)cc1CCn1cc[nH+]c1 ZINC001250316090 967679065 /nfs/dbraw/zinc/67/90/65/967679065.db2.gz AQHXHJUHPZSHFB-UHFFFAOYSA-N 1 2 218.256 1.840 20 0 BDADLO CNC(=O)c1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250320202 967697430 /nfs/dbraw/zinc/69/74/30/967697430.db2.gz JBWGWPNAZGTNMD-UHFFFAOYSA-N 1 2 247.273 1.625 20 0 BDADLO COc1cc(CO)cc(CCn2cc[nH+]c2)c1 ZINC001250320153 967697776 /nfs/dbraw/zinc/69/77/76/967697776.db2.gz IHIHEXCMXQPTJB-UHFFFAOYSA-N 1 2 232.283 1.627 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000694290931 967775419 /nfs/dbraw/zinc/77/54/19/967775419.db2.gz KFPWSOAWQOFSGO-UTUOFQBUSA-N 1 2 245.326 1.716 20 0 BDADLO COc1cc[nH+]cc1Cc1cnccn1 ZINC001250373294 967787970 /nfs/dbraw/zinc/78/79/70/967787970.db2.gz NMGUJYKUYHHTQV-UHFFFAOYSA-N 1 2 201.229 1.471 20 0 BDADLO C[C@H](O)COC1C[NH+](Cc2ccccc2)C1 ZINC001205767288 967813440 /nfs/dbraw/zinc/81/34/40/967813440.db2.gz FHGRDVYEYJBTSF-NSHDSACASA-N 1 2 221.300 1.268 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC23COC3)n(C)n1 ZINC001205911673 967880780 /nfs/dbraw/zinc/88/07/80/967880780.db2.gz VXUUGDONIINHBH-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cc(C[N@H+]2CCCC23COC3)n(C)n1 ZINC001205911673 967880783 /nfs/dbraw/zinc/88/07/83/967880783.db2.gz VXUUGDONIINHBH-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO CCc1nocc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922903358 967990366 /nfs/dbraw/zinc/99/03/66/967990366.db2.gz BEUBOLOYBUEFNE-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1coc(C)n1 ZINC001206074537 968045790 /nfs/dbraw/zinc/04/57/90/968045790.db2.gz SEPPCZBSLUOYFP-UHFFFAOYSA-N 1 2 234.303 1.702 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1coc(C)n1 ZINC001206074537 968045803 /nfs/dbraw/zinc/04/58/03/968045803.db2.gz SEPPCZBSLUOYFP-UHFFFAOYSA-N 1 2 234.303 1.702 20 0 BDADLO C[NH+](C)Cc1nc2cc3c(cc2[nH]1)OCC3 ZINC001250565800 968078803 /nfs/dbraw/zinc/07/88/03/968078803.db2.gz SWSIEHARMIMRRS-UHFFFAOYSA-N 1 2 217.272 1.559 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCCC1=O ZINC001250964241 968228045 /nfs/dbraw/zinc/22/80/45/968228045.db2.gz HIBSYVZWXIMXHM-APPZFPTMSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCCC1=O ZINC001250964241 968228057 /nfs/dbraw/zinc/22/80/57/968228057.db2.gz HIBSYVZWXIMXHM-APPZFPTMSA-N 1 2 239.237 1.211 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001251778059 968321626 /nfs/dbraw/zinc/32/16/26/968321626.db2.gz QBJXIOQSPZJYOK-DGCLKSJQSA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001251778059 968321633 /nfs/dbraw/zinc/32/16/33/968321633.db2.gz QBJXIOQSPZJYOK-DGCLKSJQSA-N 1 2 236.315 1.226 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@@H](CO)C1 ZINC001166551145 968328438 /nfs/dbraw/zinc/32/84/38/968328438.db2.gz FBWSFRMSPJLGHR-SNVBAGLBSA-N 1 2 222.288 1.217 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@@H](CO)C2)c1 ZINC001166553478 968329065 /nfs/dbraw/zinc/32/90/65/968329065.db2.gz UPJIAIGSTXMKCN-LLVKDONJSA-N 1 2 222.288 1.047 20 0 BDADLO Cc1cc(-c2cnn(CCO)c2)c2[nH+]ccn2c1 ZINC001206570699 968392090 /nfs/dbraw/zinc/39/20/90/968392090.db2.gz FLMMYZUNLONTOK-UHFFFAOYSA-N 1 2 242.282 1.499 20 0 BDADLO O[C@@H](C[N@@H+]1CCC12COC2)c1ccccc1 ZINC001251989217 968429118 /nfs/dbraw/zinc/42/91/18/968429118.db2.gz SPSOGHVNZFALKW-LBPRGKRZSA-N 1 2 219.284 1.195 20 0 BDADLO O[C@@H](C[N@H+]1CCC12COC2)c1ccccc1 ZINC001251989217 968429123 /nfs/dbraw/zinc/42/91/23/968429123.db2.gz SPSOGHVNZFALKW-LBPRGKRZSA-N 1 2 219.284 1.195 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252021861 968443864 /nfs/dbraw/zinc/44/38/64/968443864.db2.gz QTRSHCHRSXBFAG-DTWKUNHWSA-N 1 2 241.253 1.063 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252021861 968443873 /nfs/dbraw/zinc/44/38/73/968443873.db2.gz QTRSHCHRSXBFAG-DTWKUNHWSA-N 1 2 241.253 1.063 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2csc(C)n2)C1 ZINC001206805818 968484134 /nfs/dbraw/zinc/48/41/34/968484134.db2.gz OMWWHRWCUCJDGV-MRVPVSSYSA-N 1 2 226.345 1.918 20 0 BDADLO Cc1ccnc(C[N@@H+](C)C2(C)COC2)c1 ZINC001206852479 968498842 /nfs/dbraw/zinc/49/88/42/968498842.db2.gz AHHOTBWWHZKKSV-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccnc(C[N@H+](C)C2(C)COC2)c1 ZINC001206852479 968498847 /nfs/dbraw/zinc/49/88/47/968498847.db2.gz AHHOTBWWHZKKSV-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@]12C[C@H]1CCCC2 ZINC000822066579 968503252 /nfs/dbraw/zinc/50/32/52/968503252.db2.gz HKIJEDJFGLNHGL-ZWNOBZJWSA-N 1 2 233.315 1.649 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(F)cncc1F ZINC001206862576 968503432 /nfs/dbraw/zinc/50/34/32/968503432.db2.gz MHTBTDHTRMCCOD-IUCAKERBSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c(F)cncc1F ZINC001206862576 968503436 /nfs/dbraw/zinc/50/34/36/968503436.db2.gz MHTBTDHTRMCCOD-IUCAKERBSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001206855880 968504428 /nfs/dbraw/zinc/50/44/28/968504428.db2.gz OFWLUOOJSYGMTJ-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001206855880 968504432 /nfs/dbraw/zinc/50/44/32/968504432.db2.gz OFWLUOOJSYGMTJ-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164121668 968506006 /nfs/dbraw/zinc/50/60/06/968506006.db2.gz FWTFRURIJFNEFJ-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](CCCC(F)(F)F)CCO1 ZINC001120043572 968515222 /nfs/dbraw/zinc/51/52/22/968515222.db2.gz MGYBCAGYLPOFHM-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](CCCC(F)(F)F)CCO1 ZINC001120043572 968515226 /nfs/dbraw/zinc/51/52/26/968515226.db2.gz MGYBCAGYLPOFHM-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C/C=C/[C@H](O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000822523479 968519886 /nfs/dbraw/zinc/51/98/86/968519886.db2.gz OKMXKGNYVSYYAX-ITKZLYELSA-N 1 2 234.299 1.252 20 0 BDADLO O=c1[nH]cccc1C[N@@H+]1Cc2cccnc2C1 ZINC001207000656 968533840 /nfs/dbraw/zinc/53/38/40/968533840.db2.gz OXOQDUQHIJLQLR-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO O=c1[nH]cccc1C[N@H+]1Cc2cccnc2C1 ZINC001207000656 968533846 /nfs/dbraw/zinc/53/38/46/968533846.db2.gz OXOQDUQHIJLQLR-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO Cc1ncoc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000823660098 968552595 /nfs/dbraw/zinc/55/25/95/968552595.db2.gz ATRAHSIIKHWWMS-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1ncoc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000823660098 968552600 /nfs/dbraw/zinc/55/26/00/968552600.db2.gz ATRAHSIIKHWWMS-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO Fc1cccnc1C[N@H+]1CCc2nccn2CC1 ZINC001207035133 968571237 /nfs/dbraw/zinc/57/12/37/968571237.db2.gz FGDSJMUSQLHIFZ-UHFFFAOYSA-N 1 2 246.289 1.476 20 0 BDADLO Fc1cccnc1C[N@@H+]1CCc2nccn2CC1 ZINC001207035133 968571242 /nfs/dbraw/zinc/57/12/42/968571242.db2.gz FGDSJMUSQLHIFZ-UHFFFAOYSA-N 1 2 246.289 1.476 20 0 BDADLO CCCC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252101085 968580548 /nfs/dbraw/zinc/58/05/48/968580548.db2.gz ZYWNQOZFSOPTJG-LLVKDONJSA-N 1 2 238.331 1.892 20 0 BDADLO CCCC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252101085 968580554 /nfs/dbraw/zinc/58/05/54/968580554.db2.gz ZYWNQOZFSOPTJG-LLVKDONJSA-N 1 2 238.331 1.892 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(F)cc2F)CC[C@@H]1O ZINC001207094282 968624975 /nfs/dbraw/zinc/62/49/75/968624975.db2.gz UBXRAKQRZHXXCI-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(F)cc2F)CC[C@@H]1O ZINC001207094282 968624977 /nfs/dbraw/zinc/62/49/77/968624977.db2.gz UBXRAKQRZHXXCI-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCc2cocn2)c[nH+]1 ZINC000825287199 968638471 /nfs/dbraw/zinc/63/84/71/968638471.db2.gz XFZVHTGFTIAREE-UHFFFAOYSA-N 1 2 248.286 1.231 20 0 BDADLO Cc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001207153942 968661772 /nfs/dbraw/zinc/66/17/72/968661772.db2.gz IVVOJIDVCBIOOW-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ncccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001207153942 968661775 /nfs/dbraw/zinc/66/17/75/968661775.db2.gz IVVOJIDVCBIOOW-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cncc(C[NH+]2CCN(CCF)CC2)c1 ZINC001207160374 968665675 /nfs/dbraw/zinc/66/56/75/968665675.db2.gz CKQZRFOCRTVOFJ-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1cnccn1 ZINC001085446682 968714937 /nfs/dbraw/zinc/71/49/37/968714937.db2.gz JXZTYSDKARNDCG-ZYHUDNBSSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1cnccn1 ZINC001085446682 968714940 /nfs/dbraw/zinc/71/49/40/968714940.db2.gz JXZTYSDKARNDCG-ZYHUDNBSSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001085446960 968715826 /nfs/dbraw/zinc/71/58/26/968715826.db2.gz QXIOIZZJXZFGJJ-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001085446960 968715837 /nfs/dbraw/zinc/71/58/37/968715837.db2.gz QXIOIZZJXZFGJJ-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001085447381 968717054 /nfs/dbraw/zinc/71/70/54/968717054.db2.gz AQVGNZYHTFHEMJ-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001085447381 968717058 /nfs/dbraw/zinc/71/70/58/968717058.db2.gz AQVGNZYHTFHEMJ-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC(C)[C@@H](F)C(=O)N1CCn2c[nH+]cc2C1 ZINC001324013465 968876902 /nfs/dbraw/zinc/87/69/02/968876902.db2.gz ABPAHZXNHYDDSH-SNVBAGLBSA-N 1 2 225.267 1.219 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CC[C@H](F)C1 ZINC000689935100 968897128 /nfs/dbraw/zinc/89/71/28/968897128.db2.gz FXRVHFOVUZYAGD-IPQKIJNHSA-N 1 2 201.241 1.150 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CC[C@H](F)C1 ZINC000689935100 968897131 /nfs/dbraw/zinc/89/71/31/968897131.db2.gz FXRVHFOVUZYAGD-IPQKIJNHSA-N 1 2 201.241 1.150 20 0 BDADLO CCC[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252779190 968950495 /nfs/dbraw/zinc/95/04/95/968950495.db2.gz QCSDJVZDPKQILY-LLVKDONJSA-N 1 2 219.288 1.907 20 0 BDADLO CC(C)OC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716348040 968962503 /nfs/dbraw/zinc/96/25/03/968962503.db2.gz FYCJEZQPDKNAEL-UHFFFAOYSA-N 1 2 243.347 1.421 20 0 BDADLO COCC[NH+]1CCN(CC[C@@H](C)SC)CC1 ZINC001208140686 969060830 /nfs/dbraw/zinc/06/08/30/969060830.db2.gz FCGQCNFJFWZJMS-GFCCVEGCSA-N 1 2 246.420 1.392 20 0 BDADLO CC(=O)OC1C[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC001253100633 969086940 /nfs/dbraw/zinc/08/69/40/969086940.db2.gz LWZIWCLWTMDAFG-AWEZNQCLSA-N 1 2 249.310 1.141 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)C1(CC3CCC3)CC1)C2 ZINC001273434936 969140388 /nfs/dbraw/zinc/14/03/88/969140388.db2.gz HUGMBXITLXRYCW-UHFFFAOYSA-N 1 2 248.370 1.873 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)C1(CC3CCC3)CC1)C2 ZINC001273434936 969140394 /nfs/dbraw/zinc/14/03/94/969140394.db2.gz HUGMBXITLXRYCW-UHFFFAOYSA-N 1 2 248.370 1.873 20 0 BDADLO COCc1cc[nH+]c(NCc2nonc2C)c1 ZINC001156085423 969182131 /nfs/dbraw/zinc/18/21/31/969182131.db2.gz YWIGYNHAPLKIFF-UHFFFAOYSA-N 1 2 234.259 1.532 20 0 BDADLO c1cn(Cc2nnc(Cc3ccccc3)o2)c[nH+]1 ZINC001253489386 969194444 /nfs/dbraw/zinc/19/44/44/969194444.db2.gz SHLHKOYNEDUBNB-UHFFFAOYSA-N 1 2 240.266 1.905 20 0 BDADLO CCOc1ccc(-c2c[nH+]c(N)cc2C)nn1 ZINC001242071158 969196349 /nfs/dbraw/zinc/19/63/49/969196349.db2.gz VVGMWOGYIJGABB-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO CC[C@@H](CCC(=O)OC)C[N@@H+]1CCC(=O)C1 ZINC001208797659 969243094 /nfs/dbraw/zinc/24/30/94/969243094.db2.gz OUPHXSVYHYNSCO-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO CC[C@@H](CCC(=O)OC)C[N@H+]1CCC(=O)C1 ZINC001208797659 969243101 /nfs/dbraw/zinc/24/31/01/969243101.db2.gz OUPHXSVYHYNSCO-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO NC(=O)CCNc1cc2cc(F)ccc2c[nH+]1 ZINC001168952677 969291391 /nfs/dbraw/zinc/29/13/91/969291391.db2.gz MMNXMPLGPQXPRK-UHFFFAOYSA-N 1 2 233.246 1.661 20 0 BDADLO C[C@H](c1nc(-c2cccnc2)no1)n1cc[nH+]c1 ZINC000349796458 969316766 /nfs/dbraw/zinc/31/67/66/969316766.db2.gz JXXGJZMNIQQQPY-SECBINFHSA-N 1 2 241.254 1.937 20 0 BDADLO c1c(CCNc2cnnnc2)[nH+]c2ccccn12 ZINC001169004566 969329671 /nfs/dbraw/zinc/32/96/71/969329671.db2.gz OLRRVFZRRVIWRM-UHFFFAOYSA-N 1 2 240.270 1.174 20 0 BDADLO COCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209048876 969334078 /nfs/dbraw/zinc/33/40/78/969334078.db2.gz VFLGYYSFMNZBHP-SECBINFHSA-N 1 2 203.257 1.026 20 0 BDADLO COCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209048876 969334087 /nfs/dbraw/zinc/33/40/87/969334087.db2.gz VFLGYYSFMNZBHP-SECBINFHSA-N 1 2 203.257 1.026 20 0 BDADLO COCCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001209052562 969338295 /nfs/dbraw/zinc/33/82/95/969338295.db2.gz ZCHBDLFTZZQPBI-LLVKDONJSA-N 1 2 239.319 1.942 20 0 BDADLO COCCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001209052562 969338301 /nfs/dbraw/zinc/33/83/01/969338301.db2.gz ZCHBDLFTZZQPBI-LLVKDONJSA-N 1 2 239.319 1.942 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC001253746477 969365735 /nfs/dbraw/zinc/36/57/35/969365735.db2.gz ZINLBZYSJHWMKD-SNVBAGLBSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1CCCc1ccncc1 ZINC001209185232 969376590 /nfs/dbraw/zinc/37/65/90/969376590.db2.gz QSNYCLDACHCVNO-LBPRGKRZSA-N 1 2 234.299 1.262 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1CCCc1ccncc1 ZINC001209185232 969376596 /nfs/dbraw/zinc/37/65/96/969376596.db2.gz QSNYCLDACHCVNO-LBPRGKRZSA-N 1 2 234.299 1.262 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001209554485 969538929 /nfs/dbraw/zinc/53/89/29/969538929.db2.gz IJIRGORDUMCDDF-JOYOIKCWSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001209554485 969538934 /nfs/dbraw/zinc/53/89/34/969538934.db2.gz IJIRGORDUMCDDF-JOYOIKCWSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001209555921 969541620 /nfs/dbraw/zinc/54/16/20/969541620.db2.gz MSPSFKOZRTZKNB-INTQDDNPSA-N 1 2 209.268 1.650 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001209555921 969541616 /nfs/dbraw/zinc/54/16/16/969541616.db2.gz MSPSFKOZRTZKNB-INTQDDNPSA-N 1 2 209.268 1.650 20 0 BDADLO Cn1nc(C[NH+]2CC3(COC3)C2)c2ccccc21 ZINC001209575397 969556883 /nfs/dbraw/zinc/55/68/83/969556883.db2.gz FMTLYVPYHHEVRM-UHFFFAOYSA-N 1 2 243.310 1.406 20 0 BDADLO F[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCC1(F)F ZINC001254377339 969595039 /nfs/dbraw/zinc/59/50/39/969595039.db2.gz FSUPMIHFHWZGRG-RKDXNWHRSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCC1(F)F ZINC001254377339 969595045 /nfs/dbraw/zinc/59/50/45/969595045.db2.gz FSUPMIHFHWZGRG-RKDXNWHRSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3cnccn3)C2)C1 ZINC001209787411 969623482 /nfs/dbraw/zinc/62/34/82/969623482.db2.gz XCDDURYBFPIPDM-VIFPVBQESA-N 1 2 239.319 1.506 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccnnc1 ZINC001209962843 969727157 /nfs/dbraw/zinc/72/71/57/969727157.db2.gz WLQDKLGGHHGAFU-UHFFFAOYSA-N 1 2 225.255 1.706 20 0 BDADLO Cc1cc(-n2cc(N)cn2)ccc1[NH+](C)C ZINC001210039649 969770267 /nfs/dbraw/zinc/77/02/67/969770267.db2.gz YMCKTYMXIBRXPI-UHFFFAOYSA-N 1 2 216.288 1.829 20 0 BDADLO COCCOc1cc(NC[C@H](C)OC)cc[nH+]1 ZINC001169777978 969842723 /nfs/dbraw/zinc/84/27/23/969842723.db2.gz KMQOHZFQYJKXAM-JTQLQIEISA-N 1 2 240.303 1.554 20 0 BDADLO Cc1nccnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210284806 969850954 /nfs/dbraw/zinc/85/09/54/969850954.db2.gz KDNSKYBKFHWXSH-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO Cc1c(Nc2c[nH+]c(C)c(N)c2)cnn1C ZINC001210284658 969850939 /nfs/dbraw/zinc/85/09/39/969850939.db2.gz IXCPHCMPPPQLNZ-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1[nH+]cc(Nc2c3c(nn2C)CCC3)cc1N ZINC001210285149 969851423 /nfs/dbraw/zinc/85/14/23/969851423.db2.gz KNWJIJBKYYNGRQ-UHFFFAOYSA-N 1 2 243.314 1.938 20 0 BDADLO Cc1[nH+]cc(Nc2cc[nH]c(=O)c2)cc1N ZINC001210286683 969853950 /nfs/dbraw/zinc/85/39/50/969853950.db2.gz CRMQVCFHJHSSQC-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO Cc1[nH+]cc(Nc2cn(C)cn2)cc1N ZINC001210285773 969854476 /nfs/dbraw/zinc/85/44/76/969854476.db2.gz RHSJLDPNSITELE-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO Cc1[nH+]cc(Nc2noc3nccnc23)cc1N ZINC001210287459 969854805 /nfs/dbraw/zinc/85/48/05/969854805.db2.gz UYVIWPXSJOUHTC-UHFFFAOYSA-N 1 2 242.242 1.647 20 0 BDADLO Cc1[nH+]cc(Nc2scnc2C(N)=O)cc1N ZINC001210286800 969855199 /nfs/dbraw/zinc/85/51/99/969855199.db2.gz CAFUYWCXTIGQMH-UHFFFAOYSA-N 1 2 249.299 1.271 20 0 BDADLO O=C1CCC[N@H+](C2CCOCC2)C[C@@H]1F ZINC001255038534 969861283 /nfs/dbraw/zinc/86/12/83/969861283.db2.gz KPXPCSRMDRYURD-JTQLQIEISA-N 1 2 215.268 1.168 20 0 BDADLO O=C1CCC[N@@H+](C2CCOCC2)C[C@@H]1F ZINC001255038534 969861286 /nfs/dbraw/zinc/86/12/86/969861286.db2.gz KPXPCSRMDRYURD-JTQLQIEISA-N 1 2 215.268 1.168 20 0 BDADLO Fc1c[nH+]ccc1NCCc1cncs1 ZINC001169866547 969877867 /nfs/dbraw/zinc/87/78/67/969877867.db2.gz ANSIYZCTOZJVCG-UHFFFAOYSA-N 1 2 223.276 1.754 20 0 BDADLO Cc1nc(C[N@@H+](C)C2CCSCC2)no1 ZINC001255087922 969921001 /nfs/dbraw/zinc/92/10/01/969921001.db2.gz MMHKVPCYJOQKBT-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nc(C[N@H+](C)C2CCSCC2)no1 ZINC001255087922 969921003 /nfs/dbraw/zinc/92/10/03/969921003.db2.gz MMHKVPCYJOQKBT-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO CCC1=NNC(=c2ccnc3c2=CC=[NH+]3)O1 ZINC001255095879 969930802 /nfs/dbraw/zinc/93/08/02/969930802.db2.gz ATGBARCPDVXJRT-QMMMGPOBSA-N 1 2 214.228 1.652 20 0 BDADLO COc1nccc(Nc2cc(C)[nH+]c(OC)c2)n1 ZINC001210776460 970028106 /nfs/dbraw/zinc/02/81/06/970028106.db2.gz PRCGBOBWBCGRAB-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO FC1(F)C[NH2+]CCN(C[C@@H]2CC=CCC2)C1 ZINC001210815427 970050710 /nfs/dbraw/zinc/05/07/10/970050710.db2.gz UEVHUAHFNHPWEV-LLVKDONJSA-N 1 2 230.302 1.883 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+]([C@@H]1CCSC1)C2 ZINC001255295847 970059145 /nfs/dbraw/zinc/05/91/45/970059145.db2.gz NDKKFSWZZMUWPR-SECBINFHSA-N 1 2 224.329 1.847 20 0 BDADLO Cc1nc2c(o1)CC[N@H+]([C@@H]1CCSC1)C2 ZINC001255295847 970059152 /nfs/dbraw/zinc/05/91/52/970059152.db2.gz NDKKFSWZZMUWPR-SECBINFHSA-N 1 2 224.329 1.847 20 0 BDADLO CCCOCCNc1cc(N(C)C)nc[nH+]1 ZINC001157080537 970080920 /nfs/dbraw/zinc/08/09/20/970080920.db2.gz ZJGFTIAGNAPXDN-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO CCCOCCNc1cc(N(C)C)[nH+]cn1 ZINC001157080537 970080930 /nfs/dbraw/zinc/08/09/30/970080930.db2.gz ZJGFTIAGNAPXDN-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO CCc1coc(C[NH2+][C@H]2CCN(C)C2)n1 ZINC001255411673 970128106 /nfs/dbraw/zinc/12/81/06/970128106.db2.gz BASXHTWEWZTHPP-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO C[N@@H+]1CC[C@@H](N[C@@H](CO)c2ccc(F)cc2)C1 ZINC001255411918 970131631 /nfs/dbraw/zinc/13/16/31/970131631.db2.gz DOQITSBGFZVAAE-OLZOCXBDSA-N 1 2 238.306 1.153 20 0 BDADLO C[N@H+]1CC[C@@H](N[C@@H](CO)c2ccc(F)cc2)C1 ZINC001255411918 970131634 /nfs/dbraw/zinc/13/16/34/970131634.db2.gz DOQITSBGFZVAAE-OLZOCXBDSA-N 1 2 238.306 1.153 20 0 BDADLO Nc1ccccc1CN1CC[NH2+]CC(F)(F)C1 ZINC001211347584 970241807 /nfs/dbraw/zinc/24/18/07/970241807.db2.gz QASXATUHEKRIPV-UHFFFAOYSA-N 1 2 241.285 1.309 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(-c2nc[nH]n2)c1 ZINC001243068127 970253980 /nfs/dbraw/zinc/25/39/80/970253980.db2.gz VSGHKNGDXYRGFZ-UHFFFAOYSA-N 1 2 225.255 1.872 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(NC(N)=O)cc1 ZINC001243066427 970254805 /nfs/dbraw/zinc/25/48/05/970254805.db2.gz FCYCKJSCQRDOCD-UHFFFAOYSA-N 1 2 216.244 1.578 20 0 BDADLO Cn1c[nH+]cc1-c1ccnc(N2CCOCC2)c1 ZINC001243067300 970255167 /nfs/dbraw/zinc/25/51/67/970255167.db2.gz UTFRDGZWBVXEES-UHFFFAOYSA-N 1 2 244.298 1.319 20 0 BDADLO COC(C)(C)[C@@H](C)[NH2+]Cc1noc(C)n1 ZINC000300970080 970304601 /nfs/dbraw/zinc/30/46/01/970304601.db2.gz JELBPUGOXBNCOP-SSDOTTSWSA-N 1 2 213.281 1.281 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(=O)NC2 ZINC001243068998 970259859 /nfs/dbraw/zinc/25/98/59/970259859.db2.gz MAEWMXQXJMNCFV-UHFFFAOYSA-N 1 2 213.240 1.331 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H](C)O ZINC001170104306 970300663 /nfs/dbraw/zinc/30/06/63/970300663.db2.gz LMELXJNDLCMSPR-ZNSHCXBVSA-N 1 2 229.320 1.077 20 0 BDADLO Cc1c[nH+]cc(Nc2cncc(C(N)=O)c2)c1C ZINC001213524841 970344930 /nfs/dbraw/zinc/34/49/30/970344930.db2.gz GWQPRQYARLIMKF-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1c[nH+]cc(Nc2c(N)cnn2C)c1C ZINC001213527462 970346222 /nfs/dbraw/zinc/34/62/22/970346222.db2.gz MAIWUEUOOXPGLL-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1c[nH+]cc(Nc2cnnn2C)c1C ZINC001213527600 970346988 /nfs/dbraw/zinc/34/69/88/970346988.db2.gz VDXUYJFZNBZGIO-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCNC(=O)C1(C)C ZINC001255658327 970436298 /nfs/dbraw/zinc/43/62/98/970436298.db2.gz QCLAYZQNGAZJJT-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CCNC(=O)C1(C)C ZINC001255658327 970436307 /nfs/dbraw/zinc/43/63/07/970436307.db2.gz QCLAYZQNGAZJJT-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)OC1CCCC1 ZINC000302656853 970460618 /nfs/dbraw/zinc/46/06/18/970460618.db2.gz IMRKGACDTHKUNI-UHFFFAOYSA-N 1 2 237.303 1.631 20 0 BDADLO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001170153099 970469916 /nfs/dbraw/zinc/46/99/16/970469916.db2.gz OECSZDOGHZKMDD-BBBLOLIVSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001170153099 970469927 /nfs/dbraw/zinc/46/99/27/970469927.db2.gz OECSZDOGHZKMDD-BBBLOLIVSA-N 1 2 219.275 1.877 20 0 BDADLO OCC1(F)C[NH+](C2CCCCCC2)C1 ZINC001255887793 970549515 /nfs/dbraw/zinc/54/95/15/970549515.db2.gz KMLFVIVLJIAYIE-UHFFFAOYSA-N 1 2 201.285 1.725 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC001170190169 970561015 /nfs/dbraw/zinc/56/10/15/970561015.db2.gz DGLZVVNRMBTWMW-QWRGUYRKSA-N 1 2 229.320 1.487 20 0 BDADLO CC[C@H]1C[C@@H]([N@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206922 970577653 /nfs/dbraw/zinc/57/76/53/970577653.db2.gz INMDYDBOUGQWBN-QWRGUYRKSA-N 1 2 239.319 1.767 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001609888119 970584529 /nfs/dbraw/zinc/58/45/29/970584529.db2.gz DLOKHTUTWCLFEA-PWSUYJOCSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001609888119 970584537 /nfs/dbraw/zinc/58/45/37/970584537.db2.gz DLOKHTUTWCLFEA-PWSUYJOCSA-N 1 2 240.347 1.456 20 0 BDADLO CNc1cc(NCc2ccc(C)cn2)nc[nH+]1 ZINC000400980384 970652053 /nfs/dbraw/zinc/65/20/53/970652053.db2.gz JMLFKXURNDRMOO-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO CNc1cc(NCc2ccc(C)cn2)[nH+]cn1 ZINC000400980384 970652062 /nfs/dbraw/zinc/65/20/62/970652062.db2.gz JMLFKXURNDRMOO-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO COC(=O)[C@@]1([NH2+][C@H](C)CCC(C)C)CCOC1 ZINC001256361135 970760339 /nfs/dbraw/zinc/76/03/39/970760339.db2.gz NXADAEBBEGZKQA-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)[nH]1 ZINC001327517037 972609989 /nfs/dbraw/zinc/60/99/89/972609989.db2.gz AFEJELGTLDKAAM-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)[nH]1 ZINC001327517037 972609999 /nfs/dbraw/zinc/60/99/99/972609999.db2.gz AFEJELGTLDKAAM-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1cc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)nc2[nH]1 ZINC001144179340 972649213 /nfs/dbraw/zinc/64/92/13/972649213.db2.gz AGDAIUUZLURSOD-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2ccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)nc2[nH]1 ZINC001144179340 972649220 /nfs/dbraw/zinc/64/92/20/972649220.db2.gz AGDAIUUZLURSOD-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H]1CCCn2nccc21 ZINC001327592034 972656247 /nfs/dbraw/zinc/65/62/47/972656247.db2.gz UIPYPXUZQGBCQZ-SNVBAGLBSA-N 1 2 246.318 1.119 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001276834300 972670401 /nfs/dbraw/zinc/67/04/01/972670401.db2.gz KJTABJLIWSANPR-MNOVXSKESA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001276834300 972670409 /nfs/dbraw/zinc/67/04/09/972670409.db2.gz KJTABJLIWSANPR-MNOVXSKESA-N 1 2 230.327 1.583 20 0 BDADLO c1cn(Cc2nc([C@@H]3CCCOC3)no2)c[nH+]1 ZINC001327625239 972671328 /nfs/dbraw/zinc/67/13/28/972671328.db2.gz NFOUGUOZVZPIIZ-SECBINFHSA-N 1 2 234.259 1.208 20 0 BDADLO C=C/C=C\CC(=O)NCCCCn1cc[nH+]c1 ZINC001144214166 972681963 /nfs/dbraw/zinc/68/19/63/972681963.db2.gz SMLZCOIYZYKSET-ARJAWSKDSA-N 1 2 233.315 1.912 20 0 BDADLO CCS[C@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327870966 972776678 /nfs/dbraw/zinc/77/66/78/972776678.db2.gz SQTYGCHYVQLCQE-JTQLQIEISA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327870966 972776693 /nfs/dbraw/zinc/77/66/93/972776693.db2.gz SQTYGCHYVQLCQE-JTQLQIEISA-N 1 2 240.376 1.912 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC2=CCCOC2)o1 ZINC001327897169 972797904 /nfs/dbraw/zinc/79/79/04/972797904.db2.gz DKIBISJDTMOWSH-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC2=CCCOC2)o1 ZINC001327897169 972797917 /nfs/dbraw/zinc/79/79/17/972797917.db2.gz DKIBISJDTMOWSH-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cc(O)cc1F ZINC001144542473 972860218 /nfs/dbraw/zinc/86/02/18/972860218.db2.gz ZHNOVIOZOWLZHG-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)cc(O)cc1F ZINC001144542473 972860223 /nfs/dbraw/zinc/86/02/23/972860223.db2.gz ZHNOVIOZOWLZHG-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO OC[C@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144611942 972891509 /nfs/dbraw/zinc/89/15/09/972891509.db2.gz XTEHGHGRKHXVAG-LBPRGKRZSA-N 1 2 245.326 1.539 20 0 BDADLO C[NH+]1CC(OCc2cccc3c2OCO3)C1 ZINC001223264132 972900434 /nfs/dbraw/zinc/90/04/34/972900434.db2.gz PRFIJEHSHGCTKZ-UHFFFAOYSA-N 1 2 221.256 1.246 20 0 BDADLO CCc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)n(C)n1 ZINC001328474239 973084781 /nfs/dbraw/zinc/08/47/81/973084781.db2.gz ILLJSSLHDXHSMR-SECBINFHSA-N 1 2 247.302 1.379 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](CC)OC)C1CC1 ZINC001328621050 973202615 /nfs/dbraw/zinc/20/26/15/973202615.db2.gz UPHJYWBPUHRJLM-WDEREUQCSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Cl)[nH]1 ZINC001146987250 973356079 /nfs/dbraw/zinc/35/60/79/973356079.db2.gz PSVMFMXOAFKLSO-UHFFFAOYSA-N 1 2 238.678 1.364 20 0 BDADLO C[C@@H](c1nc([C@H]2C[C@H]2C)no1)n1cc[nH+]c1 ZINC001329105109 973482136 /nfs/dbraw/zinc/48/21/36/973482136.db2.gz OOSPPONLRQKQGI-VGMNWLOBSA-N 1 2 218.260 1.999 20 0 BDADLO COC(=O)Cc1ccccc1COC1C[NH+](C)C1 ZINC001224239359 973486923 /nfs/dbraw/zinc/48/69/23/973486923.db2.gz SBOAYNSPCZGOCE-UHFFFAOYSA-N 1 2 249.310 1.233 20 0 BDADLO C[C@@H](C(=O)N1Cc2cccnc2C1)n1cc[nH+]c1 ZINC001329159670 973525399 /nfs/dbraw/zinc/52/53/99/973525399.db2.gz DGLANXXFQCSHBX-JTQLQIEISA-N 1 2 242.282 1.382 20 0 BDADLO CON(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001329181572 973547839 /nfs/dbraw/zinc/54/78/39/973547839.db2.gz CPUUEVABIIZVGX-UHFFFAOYSA-N 1 2 211.265 1.141 20 0 BDADLO CON(C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001329181572 973547850 /nfs/dbraw/zinc/54/78/50/973547850.db2.gz CPUUEVABIIZVGX-UHFFFAOYSA-N 1 2 211.265 1.141 20 0 BDADLO CC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329319505 973672339 /nfs/dbraw/zinc/67/23/39/973672339.db2.gz DIDZPXULXHOHPQ-PWSUYJOCSA-N 1 2 249.314 1.414 20 0 BDADLO Nc1ccc2c(c1)OCC[N@H+](CCF)C2 ZINC001329375378 973712041 /nfs/dbraw/zinc/71/20/41/973712041.db2.gz KSQGMSLLQHHBFC-UHFFFAOYSA-N 1 2 210.252 1.433 20 0 BDADLO Nc1ccc2c(c1)OCC[N@@H+](CCF)C2 ZINC001329375378 973712032 /nfs/dbraw/zinc/71/20/32/973712032.db2.gz KSQGMSLLQHHBFC-UHFFFAOYSA-N 1 2 210.252 1.433 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCCCCO ZINC000234786780 973754201 /nfs/dbraw/zinc/75/42/01/973754201.db2.gz FVDRVGSVTXNUSY-UHFFFAOYSA-N 1 2 240.307 1.032 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCCCCO ZINC000234786780 973754216 /nfs/dbraw/zinc/75/42/16/973754216.db2.gz FVDRVGSVTXNUSY-UHFFFAOYSA-N 1 2 240.307 1.032 20 0 BDADLO CN1CC[NH+](CCO[C@H]2CCCC[C@@H]2F)CC1 ZINC001224548937 973769043 /nfs/dbraw/zinc/76/90/43/973769043.db2.gz HYIOFFDKBBLHPG-STQMWFEESA-N 1 2 244.354 1.531 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC001171319519 973801241 /nfs/dbraw/zinc/80/12/41/973801241.db2.gz IPHFXRLEDXBHOM-KXUCPTDWSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC001171319519 973801248 /nfs/dbraw/zinc/80/12/48/973801248.db2.gz IPHFXRLEDXBHOM-KXUCPTDWSA-N 1 2 241.360 1.549 20 0 BDADLO Cc1conc1C[NH2+]C1(CNC(=O)C2CC2)CC1 ZINC001276991493 973881503 /nfs/dbraw/zinc/88/15/03/973881503.db2.gz JERYITMHIJHHAE-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ncn[nH]1 ZINC001329892089 974012585 /nfs/dbraw/zinc/01/25/85/974012585.db2.gz MUZFUVCWBCYBHM-KOLCDFICSA-N 1 2 208.309 1.863 20 0 BDADLO Cc1nc(NCCNC(=O)C[C@H]2C[C@@H]2C)cc[nH+]1 ZINC001094089445 974043234 /nfs/dbraw/zinc/04/32/34/974043234.db2.gz WDPPDDRUUSQENL-GXSJLCMTSA-N 1 2 248.330 1.359 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094133439 974049983 /nfs/dbraw/zinc/04/99/83/974049983.db2.gz QADQTXRSTKMBAO-GHMZBOCLSA-N 1 2 248.330 1.359 20 0 BDADLO Cc1nc(NCCCNC(=O)CC2CC2)cc[nH+]1 ZINC001094278044 974059100 /nfs/dbraw/zinc/05/91/00/974059100.db2.gz HAOISEWCFICGHO-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO Cc1nc(NCCCNC(=O)[C@@H]2C[C@@H]2C)cc[nH+]1 ZINC001094289986 974065136 /nfs/dbraw/zinc/06/51/36/974065136.db2.gz FPGVPBBMIKGGGS-GXSJLCMTSA-N 1 2 248.330 1.359 20 0 BDADLO C[NH+](C)Cc1nnc(CC2CC(F)(F)C2)o1 ZINC001330100937 974105478 /nfs/dbraw/zinc/10/54/78/974105478.db2.gz PYJZYALVASAMIR-UHFFFAOYSA-N 1 2 231.246 1.719 20 0 BDADLO CCOC(=[NH2+])CCCCO[C@H](C)C(=O)OC ZINC001224964299 974108030 /nfs/dbraw/zinc/10/80/30/974108030.db2.gz WETDKERYZMWHNX-SECBINFHSA-N 1 2 231.292 1.749 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171801674 974197324 /nfs/dbraw/zinc/19/73/24/974197324.db2.gz QOHYDXBBLLUUPL-MWLCHTKSSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171801674 974197339 /nfs/dbraw/zinc/19/73/39/974197339.db2.gz QOHYDXBBLLUUPL-MWLCHTKSSA-N 1 2 248.301 1.113 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1nnc(C)o1 ZINC001330350816 974238291 /nfs/dbraw/zinc/23/82/91/974238291.db2.gz WQCAPZIZDIQZPF-UHFFFAOYSA-N 1 2 235.291 1.226 20 0 BDADLO O=C1C[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)CCN1C1CC1 ZINC001172013661 974259800 /nfs/dbraw/zinc/25/98/00/974259800.db2.gz ZCRGZTCULAZTBV-GMTAPVOTSA-N 1 2 244.285 1.132 20 0 BDADLO COC(C[C@@H](C)Oc1cc[nH+]cc1)OC ZINC001225291748 974365120 /nfs/dbraw/zinc/36/51/20/974365120.db2.gz XWRJQLRDRIXQKP-SECBINFHSA-N 1 2 211.261 1.858 20 0 BDADLO COC[C@@H](C)OC[C@@H](C)Oc1cc[nH+]cc1 ZINC001225296196 974375560 /nfs/dbraw/zinc/37/55/60/974375560.db2.gz QPZUBNBGOLZYAC-GHMZBOCLSA-N 1 2 225.288 1.900 20 0 BDADLO COc1ccc(OC2C[NH+](C)C2)cc1OC ZINC001225312199 974387429 /nfs/dbraw/zinc/38/74/29/974387429.db2.gz HLYXQEDQHWGJBD-UHFFFAOYSA-N 1 2 223.272 1.397 20 0 BDADLO O=C1CC[C@H]2C[C@@H]([N@@H+]3CCC(F)(F)C3)CCN12 ZINC001172165916 974425963 /nfs/dbraw/zinc/42/59/63/974425963.db2.gz KWBWUYOHGYUJDO-UWVGGRQHSA-N 1 2 244.285 1.481 20 0 BDADLO O=C1CC[C@H]2C[C@@H]([N@H+]3CCC(F)(F)C3)CCN12 ZINC001172165916 974425967 /nfs/dbraw/zinc/42/59/67/974425967.db2.gz KWBWUYOHGYUJDO-UWVGGRQHSA-N 1 2 244.285 1.481 20 0 BDADLO CON(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001330706387 974432938 /nfs/dbraw/zinc/43/29/38/974432938.db2.gz WRHRBMPZGUHOSA-UHFFFAOYSA-N 1 2 211.265 1.059 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1C=CCCC1 ZINC001330757841 974454521 /nfs/dbraw/zinc/45/45/21/974454521.db2.gz HNCDZPQAMDJJTQ-GHMZBOCLSA-N 1 2 246.314 1.216 20 0 BDADLO C[C@H](C(=O)N1CCC[C@H](CF)C1)n1cc[nH+]c1 ZINC001330790451 974471122 /nfs/dbraw/zinc/47/11/22/974471122.db2.gz FQOIJEOTPTYFRH-GHMZBOCLSA-N 1 2 239.294 1.652 20 0 BDADLO CON(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001331103784 974601795 /nfs/dbraw/zinc/60/17/95/974601795.db2.gz OXPZPBMJDLCJTQ-SNVBAGLBSA-N 1 2 237.303 1.244 20 0 BDADLO CCc1nc(N2CCC(=O)[C@H](C)C2)cc[nH+]1 ZINC001331131309 974615018 /nfs/dbraw/zinc/61/50/18/974615018.db2.gz AETKBWXFXVFGHS-SECBINFHSA-N 1 2 219.288 1.454 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172361427 974632211 /nfs/dbraw/zinc/63/22/11/974632211.db2.gz WGDOMXYISPHKIX-KXNHARMFSA-N 1 2 243.347 1.325 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(CF)CCC1 ZINC001331225308 974651276 /nfs/dbraw/zinc/65/12/76/974651276.db2.gz QUBBAGPNRZMKOT-SECBINFHSA-N 1 2 237.278 1.064 20 0 BDADLO CCOCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC001172407864 974665341 /nfs/dbraw/zinc/66/53/41/974665341.db2.gz BTNBXABEMVZJNQ-MNOVXSKESA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@@H](CC(C)C)[NH+]1CC(S(C)(=O)=O)C1 ZINC001172408078 974668069 /nfs/dbraw/zinc/66/80/69/974668069.db2.gz RCGHOTUITDBGMC-JTQLQIEISA-N 1 2 233.377 1.540 20 0 BDADLO CCOCC[C@H](C)[NH2+][C@@H](C)C(=O)OCC ZINC001172410946 974675093 /nfs/dbraw/zinc/67/50/93/974675093.db2.gz LWYFBIYCPDIBMR-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO CC[NH+]1CC(Oc2cnc(Cl)c(F)c2)C1 ZINC001225788760 974685461 /nfs/dbraw/zinc/68/54/61/974685461.db2.gz ODQTWYJKFGWSAK-UHFFFAOYSA-N 1 2 230.670 1.957 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2c(O)cccc2F)C1 ZINC001225801916 974689536 /nfs/dbraw/zinc/68/95/36/974689536.db2.gz WMEWUTGLYYNHPM-VIFPVBQESA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@H](COc2c(O)cccc2F)C1 ZINC001225801916 974689539 /nfs/dbraw/zinc/68/95/39/974689539.db2.gz WMEWUTGLYYNHPM-VIFPVBQESA-N 1 2 241.262 1.241 20 0 BDADLO CCOCC[C@@H](C)N1CC[NH+](CCOC)CC1 ZINC001172421966 974696247 /nfs/dbraw/zinc/69/62/47/974696247.db2.gz WDFFNKCOBVWHSC-CYBMUJFWSA-N 1 2 244.379 1.066 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)oc1C ZINC001331478286 974736589 /nfs/dbraw/zinc/73/65/89/974736589.db2.gz JIPVMHVJASBBCB-JTQLQIEISA-N 1 2 245.282 1.968 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC001331522989 974747942 /nfs/dbraw/zinc/74/79/42/974747942.db2.gz LQCMRTHVEAKOPX-MWLCHTKSSA-N 1 2 243.738 1.648 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC001331522989 974747948 /nfs/dbraw/zinc/74/79/48/974747948.db2.gz LQCMRTHVEAKOPX-MWLCHTKSSA-N 1 2 243.738 1.648 20 0 BDADLO CCn1nncc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC001331535376 974753719 /nfs/dbraw/zinc/75/37/19/974753719.db2.gz YLJUZNMPOKDCQU-MWLCHTKSSA-N 1 2 246.318 1.290 20 0 BDADLO COc1cccnc1OC1C[NH+](C(C)(C)C)C1 ZINC001226138392 974804938 /nfs/dbraw/zinc/80/49/38/974804938.db2.gz AKTWPWDIDYTQSZ-UHFFFAOYSA-N 1 2 236.315 1.952 20 0 BDADLO CC(C)OCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001172448461 974810289 /nfs/dbraw/zinc/81/02/89/974810289.db2.gz MDUFZGDOEDELRZ-LLVKDONJSA-N 1 2 237.347 1.939 20 0 BDADLO CC(C)OCC[C@@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001172448461 974810290 /nfs/dbraw/zinc/81/02/90/974810290.db2.gz MDUFZGDOEDELRZ-LLVKDONJSA-N 1 2 237.347 1.939 20 0 BDADLO COc1ncc(-c2c[nH+]c3n2CCCC3)cn1 ZINC001331883289 974848284 /nfs/dbraw/zinc/84/82/84/974848284.db2.gz PMIBHWNYHNDWHV-UHFFFAOYSA-N 1 2 230.271 1.685 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC2(F)F)C1 ZINC001172584748 974887109 /nfs/dbraw/zinc/88/71/09/974887109.db2.gz ADHFNPLZLXATQY-IWSPIJDZSA-N 1 2 233.258 1.715 20 0 BDADLO CC[N@H+](Cc1ccc(O)cc1)[C@@H](C)C(=O)OC ZINC001204100953 974950129 /nfs/dbraw/zinc/95/01/29/974950129.db2.gz QYKGELFVKYVEJK-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO CC[N@@H+](Cc1ccc(O)cc1)[C@@H](C)C(=O)OC ZINC001204100953 974950136 /nfs/dbraw/zinc/95/01/36/974950136.db2.gz QYKGELFVKYVEJK-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO CO[C@@H]1CCC[C@@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001172931669 974982780 /nfs/dbraw/zinc/98/27/80/974982780.db2.gz PHLZYPKJBJTFLF-GHMZBOCLSA-N 1 2 248.317 1.485 20 0 BDADLO CCc1nccc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC001332197001 975003466 /nfs/dbraw/zinc/00/34/66/975003466.db2.gz DLZAWECTXFWTKZ-LLVKDONJSA-N 1 2 245.330 1.984 20 0 BDADLO CCc1nc(N(C)[C@H](C)C[S@@](C)=O)cc[nH+]1 ZINC001332265183 975037414 /nfs/dbraw/zinc/03/74/14/975037414.db2.gz BJUURSMOYVCGCY-JDNHERCYSA-N 1 2 241.360 1.242 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(F)ccn1 ZINC001226767391 975068173 /nfs/dbraw/zinc/06/81/73/975068173.db2.gz JEVYKAGEBJIZBG-JTQLQIEISA-N 1 2 240.278 1.320 20 0 BDADLO O=C(CC1COC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001332411121 975102072 /nfs/dbraw/zinc/10/20/72/975102072.db2.gz VPUJXFOOJYUTGL-UHFFFAOYSA-N 1 2 249.314 1.152 20 0 BDADLO O=C(CC1COC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001332411121 975102076 /nfs/dbraw/zinc/10/20/76/975102076.db2.gz VPUJXFOOJYUTGL-UHFFFAOYSA-N 1 2 249.314 1.152 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ncco1 ZINC001332433293 975118021 /nfs/dbraw/zinc/11/80/21/975118021.db2.gz FGDRSTQKCGWTCW-NKWVEPMBSA-N 1 2 220.219 1.341 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1cncc(F)c1 ZINC001226843851 975118273 /nfs/dbraw/zinc/11/82/73/975118273.db2.gz QBNTVYXTBQAYFW-JTQLQIEISA-N 1 2 240.278 1.320 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](CC)C1)[C@@H](C)O ZINC001173267559 975131185 /nfs/dbraw/zinc/13/11/85/975131185.db2.gz SDLJVTYTCVEXDR-KKOKHZNYSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1cc(CNc2cc(CO)cc[nH+]2)[nH]n1 ZINC001332673192 975245416 /nfs/dbraw/zinc/24/54/16/975245416.db2.gz GLYYUNIVOLFOOF-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO CCN1CC[C@H]([NH2+]Cc2ncc(F)cc2F)C1 ZINC001173350565 975294987 /nfs/dbraw/zinc/29/49/87/975294987.db2.gz NFDVGEUOPDHEMQ-JTQLQIEISA-N 1 2 241.285 1.544 20 0 BDADLO Cc1cccc([C@@H](O)C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001332937229 975328824 /nfs/dbraw/zinc/32/88/24/975328824.db2.gz KCGASGGHEJJUSN-DOMZBBRYSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1cccc([C@@H](O)C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001332937229 975328828 /nfs/dbraw/zinc/32/88/28/975328828.db2.gz KCGASGGHEJJUSN-DOMZBBRYSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cncc3C2)c(C)nn1 ZINC001333048099 975385731 /nfs/dbraw/zinc/38/57/31/975385731.db2.gz GDGLMLZOULPQNK-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cncc3C2)c(C)nn1 ZINC001333048099 975385734 /nfs/dbraw/zinc/38/57/34/975385734.db2.gz GDGLMLZOULPQNK-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@@H]2CO)c(C)s1 ZINC001333084294 975399518 /nfs/dbraw/zinc/39/95/18/975399518.db2.gz KANXSKNHZHJBRI-SNVBAGLBSA-N 1 2 224.329 1.493 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@@H]2CO)c(C)s1 ZINC001333084294 975399526 /nfs/dbraw/zinc/39/95/26/975399526.db2.gz KANXSKNHZHJBRI-SNVBAGLBSA-N 1 2 224.329 1.493 20 0 BDADLO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)C1 ZINC001173645791 975515313 /nfs/dbraw/zinc/51/53/13/975515313.db2.gz AJPFVJYINMWEIA-WDEREUQCSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(=O)C[C@H]1CC[C@@H]([N@H+]2CCC(=O)C2)C1 ZINC001173645791 975515325 /nfs/dbraw/zinc/51/53/25/975515325.db2.gz AJPFVJYINMWEIA-WDEREUQCSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccccc1 ZINC001173791428 975609153 /nfs/dbraw/zinc/60/91/53/975609153.db2.gz PZUKBTHQKZDKHB-UHFFFAOYSA-N 1 2 231.255 1.631 20 0 BDADLO Cc1nnc([C@H](C)NC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001333691770 975996499 /nfs/dbraw/zinc/99/64/99/975996499.db2.gz XEEMIDVWFWCWGE-JGVFFNPUSA-N 1 2 249.274 1.013 20 0 BDADLO Cc1ncoc1C[NH2+][C@H](C)c1nccnc1C ZINC001333719829 976023246 /nfs/dbraw/zinc/02/32/46/976023246.db2.gz QXOJGSDKJXFBJV-SNVBAGLBSA-N 1 2 232.287 1.932 20 0 BDADLO O[C@@H]1C[N@H+](Cc2nccn2C2CC2)CC12CC2 ZINC001333717501 976025902 /nfs/dbraw/zinc/02/59/02/976025902.db2.gz NDVFYGFGJUEQPO-LLVKDONJSA-N 1 2 233.315 1.175 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2nccn2C2CC2)CC12CC2 ZINC001333717501 976025922 /nfs/dbraw/zinc/02/59/22/976025922.db2.gz NDVFYGFGJUEQPO-LLVKDONJSA-N 1 2 233.315 1.175 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccoc1 ZINC001173932419 976043616 /nfs/dbraw/zinc/04/36/16/976043616.db2.gz MHPKHZMHZONMFI-UHFFFAOYSA-N 1 2 221.216 1.224 20 0 BDADLO Cc1[nH]c2ccc(OC[C@@H]3COCO3)cc2[nH+]1 ZINC001228326334 976123005 /nfs/dbraw/zinc/12/30/05/976123005.db2.gz HBQAAZHUNUDNCD-JTQLQIEISA-N 1 2 234.255 1.623 20 0 BDADLO C[C@@H](C(=O)NCC[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC001333859262 976125734 /nfs/dbraw/zinc/12/57/34/976125734.db2.gz MXNYGEGSDVYBOI-UHTWSYAYSA-N 1 2 247.342 1.997 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2n[nH]c3ccccc32)C1 ZINC001228523273 976271260 /nfs/dbraw/zinc/27/12/60/976271260.db2.gz CPPVFMFSUAPLHG-SNVBAGLBSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2n[nH]c3ccccc32)C1 ZINC001228523273 976271277 /nfs/dbraw/zinc/27/12/77/976271277.db2.gz CPPVFMFSUAPLHG-SNVBAGLBSA-N 1 2 247.298 1.272 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccn2)C1 ZINC001206220674 976291366 /nfs/dbraw/zinc/29/13/66/976291366.db2.gz BQYNOHPHQKWUEQ-SNVBAGLBSA-N 1 2 245.248 1.547 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccn2)C1 ZINC001206220674 976291394 /nfs/dbraw/zinc/29/13/94/976291394.db2.gz BQYNOHPHQKWUEQ-SNVBAGLBSA-N 1 2 245.248 1.547 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccncc2)C1 ZINC001206221591 976364560 /nfs/dbraw/zinc/36/45/60/976364560.db2.gz IBWUDJLWVFFMID-SNVBAGLBSA-N 1 2 245.248 1.547 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccncc2)C1 ZINC001206221591 976364568 /nfs/dbraw/zinc/36/45/68/976364568.db2.gz IBWUDJLWVFFMID-SNVBAGLBSA-N 1 2 245.248 1.547 20 0 BDADLO Cc1cccnc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC001334376373 976479696 /nfs/dbraw/zinc/47/96/96/976479696.db2.gz VZEXIMCZEWTVCC-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccnc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC001334376373 976479704 /nfs/dbraw/zinc/47/97/04/976479704.db2.gz VZEXIMCZEWTVCC-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO CCC[C@@H]1C[N@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC001334627830 976571546 /nfs/dbraw/zinc/57/15/46/976571546.db2.gz YPQCPDWCDBRUPV-JATZPVMKSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@@H]1C[N@@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC001334627830 976571559 /nfs/dbraw/zinc/57/15/59/976571559.db2.gz YPQCPDWCDBRUPV-JATZPVMKSA-N 1 2 241.331 1.607 20 0 BDADLO COc1cc(Nc2ccc(=O)n(C)c2)cc(C)[nH+]1 ZINC001174356199 976598631 /nfs/dbraw/zinc/59/86/31/976598631.db2.gz CJHPOWLCNPGRFM-UHFFFAOYSA-N 1 2 245.282 1.841 20 0 BDADLO COc1cc[nH+]c(Nc2ccc3ncnn3c2)c1 ZINC001174371550 976609304 /nfs/dbraw/zinc/60/93/04/976609304.db2.gz OTICXWHJRIAZSH-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1cncnc1 ZINC001174384731 976621919 /nfs/dbraw/zinc/62/19/19/976621919.db2.gz NDTZLVFFQMMRTC-UHFFFAOYSA-N 1 2 225.255 1.706 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC2CC2)C[C@H](C)[S@@]1=O ZINC001334871065 976757990 /nfs/dbraw/zinc/75/79/90/976757990.db2.gz PADPHOVJZXFMQL-KEODLESXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@H+](CCOC2CC2)C[C@H](C)[S@@]1=O ZINC001334871065 976758006 /nfs/dbraw/zinc/75/80/06/976758006.db2.gz PADPHOVJZXFMQL-KEODLESXSA-N 1 2 231.361 1.007 20 0 BDADLO COc1cc[nH+]c(Nc2c[nH]nc2C)c1 ZINC001174471839 976778747 /nfs/dbraw/zinc/77/87/47/976778747.db2.gz UYEBIMXGYLUXJV-UHFFFAOYSA-N 1 2 204.233 1.865 20 0 BDADLO Cc1cccc(CNc2cc(N(C)C)nc[nH+]2)n1 ZINC001334900709 976781524 /nfs/dbraw/zinc/78/15/24/976781524.db2.gz DMKDPIMQBJNLNQ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1cccc(CNc2cc(N(C)C)[nH+]cn2)n1 ZINC001334900709 976781531 /nfs/dbraw/zinc/78/15/31/976781531.db2.gz DMKDPIMQBJNLNQ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000259775236 976813715 /nfs/dbraw/zinc/81/37/15/976813715.db2.gz SDXQLVCAKWKJTP-AXFHLTTASA-N 1 2 237.324 1.914 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000259775236 976813717 /nfs/dbraw/zinc/81/37/17/976813717.db2.gz SDXQLVCAKWKJTP-AXFHLTTASA-N 1 2 237.324 1.914 20 0 BDADLO C=CNc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174782619 977004079 /nfs/dbraw/zinc/00/40/79/977004079.db2.gz IEYDAERQIZCWOU-UHFFFAOYSA-N 1 2 248.326 1.953 20 0 BDADLO CC[NH+]1CC(Oc2cc3ccccc3nn2)C1 ZINC001230241252 977140842 /nfs/dbraw/zinc/14/08/42/977140842.db2.gz ZFWHBYDWCHUJJI-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO Cn1nncc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347303 977366171 /nfs/dbraw/zinc/36/61/71/977366171.db2.gz HSVFBPFBIMRDGQ-UHFFFAOYSA-N 1 2 244.302 1.554 20 0 BDADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)nn1C ZINC001175337278 977384525 /nfs/dbraw/zinc/38/45/25/977384525.db2.gz ALYZXVDYILJDCP-UHFFFAOYSA-N 1 2 231.303 1.933 20 0 BDADLO Oc1cc2c(cc1OC[C@@H]1CCCO1)CC[NH+]=C2 ZINC001230920468 977385435 /nfs/dbraw/zinc/38/54/35/977385435.db2.gz NNJGDHVTSLNUFO-LBPRGKRZSA-N 1 2 247.294 1.925 20 0 BDADLO Cc1ncc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001175338369 977385700 /nfs/dbraw/zinc/38/57/00/977385700.db2.gz FIOBEONFOQJUIX-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO CC/C=C(/C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001231005402 977419480 /nfs/dbraw/zinc/41/94/80/977419480.db2.gz PRYNNLBZHSRFHM-QJGQKNTRSA-N 1 2 242.338 1.845 20 0 BDADLO CC/C=C(/C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001231005402 977419501 /nfs/dbraw/zinc/41/95/01/977419501.db2.gz PRYNNLBZHSRFHM-QJGQKNTRSA-N 1 2 242.338 1.845 20 0 BDADLO C[C@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001336009534 977423831 /nfs/dbraw/zinc/42/38/31/977423831.db2.gz XBBINMYBAFWYRX-ZDCRXTMVSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001336009534 977423834 /nfs/dbraw/zinc/42/38/34/977423834.db2.gz XBBINMYBAFWYRX-ZDCRXTMVSA-N 1 2 249.314 1.054 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001336023987 977437218 /nfs/dbraw/zinc/43/72/18/977437218.db2.gz HEBRVOOTIFRYHH-CKYFFXLPSA-N 1 2 249.314 1.259 20 0 BDADLO OCCc1ccc[nH+]c1Nc1ccc(CO)cc1 ZINC001175565441 977554352 /nfs/dbraw/zinc/55/43/52/977554352.db2.gz NFVXWDMGSUVXKW-UHFFFAOYSA-N 1 2 244.294 1.852 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1(C)CC1 ZINC001336202008 977563226 /nfs/dbraw/zinc/56/32/26/977563226.db2.gz PAQFOBKEGUDESB-ZJUUUORDSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1(C)CC1 ZINC001336202008 977563234 /nfs/dbraw/zinc/56/32/34/977563234.db2.gz PAQFOBKEGUDESB-ZJUUUORDSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1noc(N=C2CCC[N@@H+](C)C2)c1C ZINC001175574088 977572225 /nfs/dbraw/zinc/57/22/25/977572225.db2.gz LXQPUGVHYMJHEV-UHFFFAOYSA-N 1 2 207.277 1.923 20 0 BDADLO Cc1noc(N=C2CCC[N@H+](C)C2)c1C ZINC001175574088 977572236 /nfs/dbraw/zinc/57/22/36/977572236.db2.gz LXQPUGVHYMJHEV-UHFFFAOYSA-N 1 2 207.277 1.923 20 0 BDADLO COc1nn(C)cc1NC1=CCC[N@H+](C)C1 ZINC001175574144 977575328 /nfs/dbraw/zinc/57/53/28/977575328.db2.gz NMGNSFXQSFQNEK-UHFFFAOYSA-N 1 2 222.292 1.060 20 0 BDADLO COc1nn(C)cc1NC1=CCC[N@@H+](C)C1 ZINC001175574144 977575334 /nfs/dbraw/zinc/57/53/34/977575334.db2.gz NMGNSFXQSFQNEK-UHFFFAOYSA-N 1 2 222.292 1.060 20 0 BDADLO COc1nn(C)cc1N=C1CCC[N@H+](C)C1 ZINC001175574144 977575341 /nfs/dbraw/zinc/57/53/41/977575341.db2.gz NMGNSFXQSFQNEK-UHFFFAOYSA-N 1 2 222.292 1.060 20 0 BDADLO COc1nn(C)cc1N=C1CCC[N@@H+](C)C1 ZINC001175574144 977575350 /nfs/dbraw/zinc/57/53/50/977575350.db2.gz NMGNSFXQSFQNEK-UHFFFAOYSA-N 1 2 222.292 1.060 20 0 BDADLO CCOc1cc[nH+]cc1Nc1cnc(N)nc1C ZINC001175666698 977645884 /nfs/dbraw/zinc/64/58/84/977645884.db2.gz UXTYJBIESPAKGN-UHFFFAOYSA-N 1 2 245.286 1.905 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@H](O)C2)[nH+]1 ZINC001336438811 977687609 /nfs/dbraw/zinc/68/76/09/977687609.db2.gz HYLKTDSOSIARIV-JTQLQIEISA-N 1 2 210.252 1.490 20 0 BDADLO COCc1ccc(C[NH+]2CC3(COC3)C2)o1 ZINC001231692509 977689227 /nfs/dbraw/zinc/68/92/27/977689227.db2.gz ZLNLVMXMQAZLKK-UHFFFAOYSA-N 1 2 223.272 1.258 20 0 BDADLO ClC(Cl)=CC[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001175707467 977691480 /nfs/dbraw/zinc/69/14/80/977691480.db2.gz MKXZNFCLJUBMPA-LURJTMIESA-N 1 2 248.117 1.308 20 0 BDADLO ClC(Cl)=CC[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001175707467 977691491 /nfs/dbraw/zinc/69/14/91/977691491.db2.gz MKXZNFCLJUBMPA-LURJTMIESA-N 1 2 248.117 1.308 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC001594555477 977711334 /nfs/dbraw/zinc/71/13/34/977711334.db2.gz GHROCFLSPXMWSK-WDEREUQCSA-N 1 2 249.314 1.073 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC001594555477 977711346 /nfs/dbraw/zinc/71/13/46/977711346.db2.gz GHROCFLSPXMWSK-WDEREUQCSA-N 1 2 249.314 1.073 20 0 BDADLO CCOc1ncccc1C[NH+]1CC(C)(CO)C1 ZINC001231760969 977731932 /nfs/dbraw/zinc/73/19/32/977731932.db2.gz QTVZOAWMRCTIMU-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO Nc1cc(N2CCC([C@H]3CCCO3)CC2)[nH+]cn1 ZINC001336593654 977805207 /nfs/dbraw/zinc/80/52/07/977805207.db2.gz YNTPVVFMIYZDTA-LLVKDONJSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCn2nncc2C1 ZINC001231984230 977824351 /nfs/dbraw/zinc/82/43/51/977824351.db2.gz PNIJSHQYACOPPO-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCn2nncc2C1 ZINC001231984230 977824356 /nfs/dbraw/zinc/82/43/56/977824356.db2.gz PNIJSHQYACOPPO-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CC(C)(C)[S@](C)(=O)=NC(=O)Cc1c[nH]c[nH+]1 ZINC001336643800 977826337 /nfs/dbraw/zinc/82/63/37/977826337.db2.gz PBHVUVHUQFZLMO-INIZCTEOSA-N 1 2 243.332 1.375 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232022001 977849967 /nfs/dbraw/zinc/84/99/67/977849967.db2.gz WASUZJRYSRLUDI-NSHDSACASA-N 1 2 225.267 1.506 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232022001 977849973 /nfs/dbraw/zinc/84/99/73/977849973.db2.gz WASUZJRYSRLUDI-NSHDSACASA-N 1 2 225.267 1.506 20 0 BDADLO Cn1c[nH+]cc1Nc1ccc2n[nH]nc2c1 ZINC001175999340 977853789 /nfs/dbraw/zinc/85/37/89/977853789.db2.gz YVDQQUXOXCCRJZ-UHFFFAOYSA-N 1 2 214.232 1.435 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)C[C@@H]1F ZINC001232188563 977907352 /nfs/dbraw/zinc/90/73/52/977907352.db2.gz FCJBUBJYLSGTCP-APPZFPTMSA-N 1 2 200.282 1.933 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)C[C@@H]1F ZINC001232188563 977907358 /nfs/dbraw/zinc/90/73/58/977907358.db2.gz FCJBUBJYLSGTCP-APPZFPTMSA-N 1 2 200.282 1.933 20 0 BDADLO COc1cc[nH+]cc1Nc1cnns1 ZINC001176118215 977943474 /nfs/dbraw/zinc/94/34/74/977943474.db2.gz HGVGFAXUTLIXLY-UHFFFAOYSA-N 1 2 208.246 1.685 20 0 BDADLO COc1cc[nH+]cc1Nc1noc2nccnc12 ZINC001176117144 977947148 /nfs/dbraw/zinc/94/71/48/977947148.db2.gz TVYDNBAPNVYDTH-UHFFFAOYSA-N 1 2 243.226 1.765 20 0 BDADLO COCc1cccc(C[NH+]2CC(C(F)F)C2)n1 ZINC001232257332 977983571 /nfs/dbraw/zinc/98/35/71/977983571.db2.gz AUZFXOVZXJPXQN-UHFFFAOYSA-N 1 2 242.269 1.925 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnc(C)o2)nc1 ZINC001336826132 977989850 /nfs/dbraw/zinc/98/98/50/977989850.db2.gz PDDKGWMMPOQKER-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1nc(N)ccc1C[N@H+](C)Cc1cnccn1 ZINC001232341474 978017040 /nfs/dbraw/zinc/01/70/40/978017040.db2.gz YBHJBOHKYYOMOL-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+](C)Cc1cnccn1 ZINC001232341474 978017050 /nfs/dbraw/zinc/01/70/50/978017050.db2.gz YBHJBOHKYYOMOL-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2ccc(N)nc2)C[C@@H]1F ZINC001232364244 978040815 /nfs/dbraw/zinc/04/08/15/978040815.db2.gz KXELOCQRHNLZSR-JQWIXIFHSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2ccc(N)nc2)C[C@@H]1F ZINC001232364244 978040825 /nfs/dbraw/zinc/04/08/25/978040825.db2.gz KXELOCQRHNLZSR-JQWIXIFHSA-N 1 2 241.285 1.936 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc(N)nc2)n(C)n1 ZINC001232368533 978041630 /nfs/dbraw/zinc/04/16/30/978041630.db2.gz KKEMKCGBNXSJFT-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc(N)nc2)n(C)n1 ZINC001232368533 978041643 /nfs/dbraw/zinc/04/16/43/978041643.db2.gz KKEMKCGBNXSJFT-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1ccc(N)nc1 ZINC001232370266 978047132 /nfs/dbraw/zinc/04/71/32/978047132.db2.gz XHAIOTZPLITEPZ-UHFFFAOYSA-N 1 2 218.260 1.284 20 0 BDADLO COCC1C[NH+](Cc2cn3cc(F)ccc3n2)C1 ZINC001232409163 978049994 /nfs/dbraw/zinc/04/99/94/978049994.db2.gz FJGYACZWJPBXEN-UHFFFAOYSA-N 1 2 249.289 1.552 20 0 BDADLO C[C@H]1C[N@H+](Cc2[nH]nc3c2CCC3)CCCC1=O ZINC001232427770 978064192 /nfs/dbraw/zinc/06/41/92/978064192.db2.gz FZWDYWCHIWOTTF-JTQLQIEISA-N 1 2 247.342 1.699 20 0 BDADLO C[C@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)CCCC1=O ZINC001232427770 978064205 /nfs/dbraw/zinc/06/42/05/978064205.db2.gz FZWDYWCHIWOTTF-JTQLQIEISA-N 1 2 247.342 1.699 20 0 BDADLO C[C@@H]1C[NH+](Cc2[nH]nc3c2CCC3)C[C@@H](C)O1 ZINC001232428276 978064697 /nfs/dbraw/zinc/06/46/97/978064697.db2.gz LNTYVZLKHIRVQZ-NXEZZACHSA-N 1 2 235.331 1.508 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)C[C@H](C)O1 ZINC001232428275 978066522 /nfs/dbraw/zinc/06/65/22/978066522.db2.gz LNTYVZLKHIRVQZ-AOOOYVTPSA-N 1 2 235.331 1.508 20 0 BDADLO C[C@@H]1C[N@H+](Cc2[nH]nc3c2CCC3)C[C@H](C)O1 ZINC001232428275 978066528 /nfs/dbraw/zinc/06/65/28/978066528.db2.gz LNTYVZLKHIRVQZ-AOOOYVTPSA-N 1 2 235.331 1.508 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232431566 978075315 /nfs/dbraw/zinc/07/53/15/978075315.db2.gz LQZHKJWXYRCBOS-AWEZNQCLSA-N 1 2 247.342 1.842 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232431566 978075320 /nfs/dbraw/zinc/07/53/20/978075320.db2.gz LQZHKJWXYRCBOS-AWEZNQCLSA-N 1 2 247.342 1.842 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2cnc(C)[nH]2)CC12CC2 ZINC001232465714 978105019 /nfs/dbraw/zinc/10/50/19/978105019.db2.gz BXCFWQRSCCTMJC-NSHDSACASA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2cnc(C)[nH]2)CC12CC2 ZINC001232465714 978105027 /nfs/dbraw/zinc/10/50/27/978105027.db2.gz BXCFWQRSCCTMJC-NSHDSACASA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2c[nH]c(C)n2)CC12CC2 ZINC001232465714 978105033 /nfs/dbraw/zinc/10/50/33/978105033.db2.gz BXCFWQRSCCTMJC-NSHDSACASA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2c[nH]c(C)n2)CC12CC2 ZINC001232465714 978105052 /nfs/dbraw/zinc/10/50/52/978105052.db2.gz BXCFWQRSCCTMJC-NSHDSACASA-N 1 2 249.314 1.103 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccon2)c[nH+]1 ZINC001232463706 978114157 /nfs/dbraw/zinc/11/41/57/978114157.db2.gz LOUHQAHOFQWVEN-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2ccon2)[nH+]1 ZINC001232463706 978114169 /nfs/dbraw/zinc/11/41/69/978114169.db2.gz LOUHQAHOFQWVEN-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1[nH]c(CN2C[C@H]3CC[C@@H]2CO3)c[nH+]1 ZINC001232468658 978118127 /nfs/dbraw/zinc/11/81/27/978118127.db2.gz PUKDBVFKVPCYCO-GHMZBOCLSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1[nH]cc(CN2C[C@H]3CC[C@@H]2CO3)[nH+]1 ZINC001232468658 978118135 /nfs/dbraw/zinc/11/81/35/978118135.db2.gz PUKDBVFKVPCYCO-GHMZBOCLSA-N 1 2 207.277 1.081 20 0 BDADLO CCc1csc(CN2CCn3c[nH+]cc3C2)n1 ZINC001232474858 978124419 /nfs/dbraw/zinc/12/44/19/978124419.db2.gz GHAFAIOYMPSXLE-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1cc(F)ccc1N ZINC001232514652 978163453 /nfs/dbraw/zinc/16/34/53/978163453.db2.gz WATZZOHJZFHYSL-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1cc(F)ccc1N ZINC001232514652 978163463 /nfs/dbraw/zinc/16/34/63/978163463.db2.gz WATZZOHJZFHYSL-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO CC[N@H+](Cc1cccc(CF)n1)C1COC1 ZINC001232539323 978165033 /nfs/dbraw/zinc/16/50/33/978165033.db2.gz LSNKCNJMFIHYIN-UHFFFAOYSA-N 1 2 224.279 1.772 20 0 BDADLO CC[N@@H+](Cc1cccc(CF)n1)C1COC1 ZINC001232539323 978165035 /nfs/dbraw/zinc/16/50/35/978165035.db2.gz LSNKCNJMFIHYIN-UHFFFAOYSA-N 1 2 224.279 1.772 20 0 BDADLO CC[C@H](F)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001337113128 978170179 /nfs/dbraw/zinc/17/01/79/978170179.db2.gz DLPZXSDPHNQWBO-UWVGGRQHSA-N 1 2 239.294 1.864 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1c(Cl)ccnc1F ZINC001232615389 978194112 /nfs/dbraw/zinc/19/41/12/978194112.db2.gz ODDBRDMFXFVTKD-MRVPVSSYSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1c(Cl)ccnc1F ZINC001232615389 978194117 /nfs/dbraw/zinc/19/41/17/978194117.db2.gz ODDBRDMFXFVTKD-MRVPVSSYSA-N 1 2 244.697 1.831 20 0 BDADLO c1cc2c(cn1)cncc2C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001232652526 978210381 /nfs/dbraw/zinc/21/03/81/978210381.db2.gz VUWIYVDVUUWZOF-STQMWFEESA-N 1 2 241.294 1.603 20 0 BDADLO c1cc2c(cn1)cncc2C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001232652526 978210387 /nfs/dbraw/zinc/21/03/87/978210387.db2.gz VUWIYVDVUUWZOF-STQMWFEESA-N 1 2 241.294 1.603 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccncc1 ZINC001176872902 978217924 /nfs/dbraw/zinc/21/79/24/978217924.db2.gz SPFMYSYHFQXDKC-NSHDSACASA-N 1 2 244.298 1.546 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)o1 ZINC001176863804 978222213 /nfs/dbraw/zinc/22/22/13/978222213.db2.gz PASSFQACTZQYMM-RKDXNWHRSA-N 1 2 246.270 1.459 20 0 BDADLO Cc1ncnc(C)c1NC(=O)CCn1cc[nH+]c1 ZINC001176873511 978227606 /nfs/dbraw/zinc/22/76/06/978227606.db2.gz SEYINHZWQKGKFF-UHFFFAOYSA-N 1 2 245.286 1.319 20 0 BDADLO CC1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001176874335 978227658 /nfs/dbraw/zinc/22/76/58/978227658.db2.gz SICBPXIHUTZXMZ-UHFFFAOYSA-N 1 2 221.304 1.530 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001232673004 978228388 /nfs/dbraw/zinc/22/83/88/978228388.db2.gz PIXRNRMHYMGZQN-NSHDSACASA-N 1 2 247.342 1.391 20 0 BDADLO CNc1ccccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001232673004 978228403 /nfs/dbraw/zinc/22/84/03/978228403.db2.gz PIXRNRMHYMGZQN-NSHDSACASA-N 1 2 247.342 1.391 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@@H]2CCC(C)(C)O2)n1 ZINC001176887662 978234523 /nfs/dbraw/zinc/23/45/23/978234523.db2.gz UHZFALZGAUPAKC-LBPRGKRZSA-N 1 2 237.347 1.810 20 0 BDADLO Cc1c(C[NH+]2CC3(COC3)C2)ccnc1Cl ZINC001232749700 978262622 /nfs/dbraw/zinc/26/26/22/978262622.db2.gz RKQOGXYTQCZDIO-UHFFFAOYSA-N 1 2 238.718 1.876 20 0 BDADLO COc1cc(O)cc(C[NH+]2CC(C)(CO)C2)c1 ZINC001232801916 978288135 /nfs/dbraw/zinc/28/81/35/978288135.db2.gz NUJPAMAASUSJAI-UHFFFAOYSA-N 1 2 237.299 1.215 20 0 BDADLO COc1cc(O)cc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC001232803865 978298532 /nfs/dbraw/zinc/29/85/32/978298532.db2.gz QMCDQDWCDORYME-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO COc1cc(O)cc(C[N@H+](C)C2(C)COC2)c1 ZINC001232804974 978301304 /nfs/dbraw/zinc/30/13/04/978301304.db2.gz OQZBEXSVLZSUFC-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO COc1cc(O)cc(C[N@@H+](C)C2(C)COC2)c1 ZINC001232804974 978301310 /nfs/dbraw/zinc/30/13/10/978301310.db2.gz OQZBEXSVLZSUFC-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CC(C)c1oncc1NC(=O)Cn1cc[nH+]c1 ZINC001337356734 978304199 /nfs/dbraw/zinc/30/41/99/978304199.db2.gz KTKFGWUCPBMFBW-UHFFFAOYSA-N 1 2 234.259 1.633 20 0 BDADLO Cc1n[nH]cc1CNCc1c[nH+]ccc1N(C)C ZINC001177225800 978313683 /nfs/dbraw/zinc/31/36/83/978313683.db2.gz LMCWDABYZCVRCJ-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Cc1cc(N(C)CCCn2cc[nH+]c2)nc(F)n1 ZINC001337374663 978315195 /nfs/dbraw/zinc/31/51/95/978315195.db2.gz HMXNSSJZZOBODN-UHFFFAOYSA-N 1 2 249.293 1.647 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2cc(C)cc(O)c2)C1 ZINC001232885052 978327957 /nfs/dbraw/zinc/32/79/57/978327957.db2.gz XNGNLFIIXDESNV-UHFFFAOYSA-N 1 2 248.326 1.363 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3ncoc3c2)C1 ZINC001232937922 978346595 /nfs/dbraw/zinc/34/65/95/978346595.db2.gz KMFJDKDDRHXYCN-UHFFFAOYSA-N 1 2 218.256 1.394 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ncoc2c1 ZINC001232942712 978357968 /nfs/dbraw/zinc/35/79/68/978357968.db2.gz IHMLHIIHXWQGNE-SECBINFHSA-N 1 2 248.282 1.821 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2ncoc2c1 ZINC001232942712 978357976 /nfs/dbraw/zinc/35/79/76/978357976.db2.gz IHMLHIIHXWQGNE-SECBINFHSA-N 1 2 248.282 1.821 20 0 BDADLO CCC[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001337484520 978366097 /nfs/dbraw/zinc/36/60/97/978366097.db2.gz ZZYXAOZBOWMPOQ-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001337484520 978366109 /nfs/dbraw/zinc/36/61/09/978366109.db2.gz ZZYXAOZBOWMPOQ-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CO[C@@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597806752 978368792 /nfs/dbraw/zinc/36/87/92/978368792.db2.gz PQTJFKGDKUWDDX-QMMMGPOBSA-N 1 2 225.292 1.184 20 0 BDADLO CO[C@@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597806752 978368803 /nfs/dbraw/zinc/36/88/03/978368803.db2.gz PQTJFKGDKUWDDX-QMMMGPOBSA-N 1 2 225.292 1.184 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)CC(C)(C)O)[nH+]1 ZINC001597812404 978376087 /nfs/dbraw/zinc/37/60/87/978376087.db2.gz UKQSCJKIVLDFSD-UHFFFAOYSA-N 1 2 239.319 1.310 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)CC(C)(C)O)c[nH+]1 ZINC001597812404 978376093 /nfs/dbraw/zinc/37/60/93/978376093.db2.gz UKQSCJKIVLDFSD-UHFFFAOYSA-N 1 2 239.319 1.310 20 0 BDADLO CCN(C(=O)[C@@H](C)c1cccnc1)C1C[NH+](C)C1 ZINC001177789532 978437639 /nfs/dbraw/zinc/43/76/39/978437639.db2.gz YLCYIFMTUBYTDK-NSHDSACASA-N 1 2 247.342 1.348 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cccc(O)c1F ZINC001233055159 978448318 /nfs/dbraw/zinc/44/83/18/978448318.db2.gz MMBSPXAXVNJWLQ-SNVBAGLBSA-N 1 2 225.263 1.752 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cccc(O)c1F ZINC001233055159 978448322 /nfs/dbraw/zinc/44/83/22/978448322.db2.gz MMBSPXAXVNJWLQ-SNVBAGLBSA-N 1 2 225.263 1.752 20 0 BDADLO c1ccn2nc(C[N@@H+]3CCC4(CC4)C3)nc2c1 ZINC001233071899 978458242 /nfs/dbraw/zinc/45/82/42/978458242.db2.gz ZQITZTLUGIVEMF-UHFFFAOYSA-N 1 2 228.299 1.715 20 0 BDADLO c1ccn2nc(C[N@H+]3CCC4(CC4)C3)nc2c1 ZINC001233071899 978458249 /nfs/dbraw/zinc/45/82/49/978458249.db2.gz ZQITZTLUGIVEMF-UHFFFAOYSA-N 1 2 228.299 1.715 20 0 BDADLO CC(C)[N@H+](CCCO)Cc1nc2ccccn2n1 ZINC001233071201 978461124 /nfs/dbraw/zinc/46/11/24/978461124.db2.gz VYCLDSLJFJKSEG-UHFFFAOYSA-N 1 2 248.330 1.322 20 0 BDADLO CC(C)[N@@H+](CCCO)Cc1nc2ccccn2n1 ZINC001233071201 978461129 /nfs/dbraw/zinc/46/11/29/978461129.db2.gz VYCLDSLJFJKSEG-UHFFFAOYSA-N 1 2 248.330 1.322 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1[nH]nc2cc(F)ccc21 ZINC001233119820 978467624 /nfs/dbraw/zinc/46/76/24/978467624.db2.gz POCIENSPUVCZBS-UHFFFAOYSA-N 1 2 235.262 1.723 20 0 BDADLO CC(=O)C[N@H+](C)Cc1[nH]nc2cc(F)ccc21 ZINC001233119820 978467627 /nfs/dbraw/zinc/46/76/27/978467627.db2.gz POCIENSPUVCZBS-UHFFFAOYSA-N 1 2 235.262 1.723 20 0 BDADLO C[C@H](C(=O)Nc1cccnc1F)n1cc[nH+]c1 ZINC001177921993 978473547 /nfs/dbraw/zinc/47/35/47/978473547.db2.gz NWCXIHFTVZUYIE-MRVPVSSYSA-N 1 2 234.234 1.617 20 0 BDADLO C[C@H](C(=O)N1CCC(=O)C[C@@H]1C)n1cc[nH+]c1 ZINC001177922595 978474126 /nfs/dbraw/zinc/47/41/26/978474126.db2.gz VXYULJYAGJNUHU-VHSXEESVSA-N 1 2 235.287 1.024 20 0 BDADLO Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)nn1 ZINC001178002537 978487862 /nfs/dbraw/zinc/48/78/62/978487862.db2.gz DVSDJTKYVCFUPP-GFCCVEGCSA-N 1 2 243.314 1.675 20 0 BDADLO COCCCN(CCO)c1cc(F)cc(C)[nH+]1 ZINC001337845289 978524009 /nfs/dbraw/zinc/52/40/09/978524009.db2.gz JYQZWWAZYWOEDY-UHFFFAOYSA-N 1 2 242.294 1.364 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001206322925 978529563 /nfs/dbraw/zinc/52/95/63/978529563.db2.gz WRZWOXVEGFXIEZ-QWHCGFSZSA-N 1 2 247.342 1.754 20 0 BDADLO Cn1nccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001206322925 978529569 /nfs/dbraw/zinc/52/95/69/978529569.db2.gz WRZWOXVEGFXIEZ-QWHCGFSZSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)sn1 ZINC001233310195 978532997 /nfs/dbraw/zinc/53/29/97/978532997.db2.gz VNYYHCGXZXZEIX-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cc(F)cc(NCC2([S@](C)=O)CC2)[nH+]1 ZINC001337867357 978540672 /nfs/dbraw/zinc/54/06/72/978540672.db2.gz KXJSGNZXPKIPOZ-INIZCTEOSA-N 1 2 242.319 1.852 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC001233314354 978547893 /nfs/dbraw/zinc/54/78/93/978547893.db2.gz SYYOWBNPGNBRJF-WCBMZHEXSA-N 1 2 245.706 1.108 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC001233314354 978547896 /nfs/dbraw/zinc/54/78/96/978547896.db2.gz SYYOWBNPGNBRJF-WCBMZHEXSA-N 1 2 245.706 1.108 20 0 BDADLO CCOC(=O)c1ccnc(C[NH+]2CC=CC2)c1 ZINC001233323058 978563406 /nfs/dbraw/zinc/56/34/06/978563406.db2.gz DMUMCEVOUAPAGJ-UHFFFAOYSA-N 1 2 232.283 1.630 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3cnccc3C2)o1 ZINC001233364786 978571412 /nfs/dbraw/zinc/57/14/12/978571412.db2.gz CJCSXJFSLPIMQL-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3cnccc3C2)o1 ZINC001233364786 978571417 /nfs/dbraw/zinc/57/14/17/978571417.db2.gz CJCSXJFSLPIMQL-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO c1cn2c(cccc2CN2C[C@@H]3C[C@H]2CO3)[nH+]1 ZINC001233363375 978577335 /nfs/dbraw/zinc/57/73/35/978577335.db2.gz ZGUQRARTWXKVFR-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO Nc1cccc(CN2CCCC(=O)CC2)[nH+]1 ZINC001233369316 978585188 /nfs/dbraw/zinc/58/51/88/978585188.db2.gz JMIIDRDUYYDSTK-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO Nc1cccc(C[N@@H+]2CCCC(=O)CC2)n1 ZINC001233369316 978585194 /nfs/dbraw/zinc/58/51/94/978585194.db2.gz JMIIDRDUYYDSTK-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO Nc1cccc(C[N@H+]2CCCC(=O)CC2)n1 ZINC001233369316 978585201 /nfs/dbraw/zinc/58/52/01/978585201.db2.gz JMIIDRDUYYDSTK-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(N)n1 ZINC001233372290 978588636 /nfs/dbraw/zinc/58/86/36/978588636.db2.gz HXIPXYRGRDEPQB-LBPRGKRZSA-N 1 2 233.315 1.607 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(N)n1 ZINC001233372290 978588640 /nfs/dbraw/zinc/58/86/40/978588640.db2.gz HXIPXYRGRDEPQB-LBPRGKRZSA-N 1 2 233.315 1.607 20 0 BDADLO CCc1[nH]c(CNC(=O)C=C(C)C)c[nH+]1 ZINC001178662733 978604474 /nfs/dbraw/zinc/60/44/74/978604474.db2.gz XWJKLCSQMQMBLY-UHFFFAOYSA-N 1 2 207.277 1.555 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233449496 978606394 /nfs/dbraw/zinc/60/63/94/978606394.db2.gz GUBYZOQISDMUKI-WCBMZHEXSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cncc(Cl)n1 ZINC001233449496 978606401 /nfs/dbraw/zinc/60/64/01/978606401.db2.gz GUBYZOQISDMUKI-WCBMZHEXSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCF)C1CC1 ZINC001233528483 978621073 /nfs/dbraw/zinc/62/10/73/978621073.db2.gz AGPSEBXWVAEKIT-CMPLNLGQSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCF)C1CC1 ZINC001233528483 978621086 /nfs/dbraw/zinc/62/10/86/978621086.db2.gz AGPSEBXWVAEKIT-CMPLNLGQSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)c2nccn21 ZINC001178717715 978623221 /nfs/dbraw/zinc/62/32/21/978623221.db2.gz ZFCAYOBFSIDOEL-SKDRFNHKSA-N 1 2 247.298 1.764 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)Nc2cc[nH+]c3c2CCC3)O1 ZINC001178834117 978632013 /nfs/dbraw/zinc/63/20/13/978632013.db2.gz DHGXCCUBBFSHHO-NOZJJQNGSA-N 1 2 246.310 1.498 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ocnc1C ZINC001338216685 978637355 /nfs/dbraw/zinc/63/73/55/978637355.db2.gz RXVONFSEBHDCIR-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ocnc1C ZINC001338216685 978637366 /nfs/dbraw/zinc/63/73/66/978637366.db2.gz RXVONFSEBHDCIR-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[C@H](O)C(=O)Oc1ccc2[nH+]ccn2c1 ZINC001233748361 978687825 /nfs/dbraw/zinc/68/78/25/978687825.db2.gz IHNKGEMCPURPCY-VIFPVBQESA-N 1 2 220.228 1.011 20 0 BDADLO O=C(CCO)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001179572190 978715755 /nfs/dbraw/zinc/71/57/55/978715755.db2.gz YNQXASISOJKKID-UHFFFAOYSA-N 1 2 231.255 1.193 20 0 BDADLO O=C(/C=C/C(F)(F)F)NCCn1cc[nH+]c1 ZINC001179922949 978789365 /nfs/dbraw/zinc/78/93/65/978789365.db2.gz QPFPEXSAHORRFL-OWOJBTEDSA-N 1 2 233.193 1.118 20 0 BDADLO COc1cc(OC2C[NH+](C)C2)ccc1C ZINC001234280011 978810784 /nfs/dbraw/zinc/81/07/84/978810784.db2.gz JDYVYZXAGWTQIX-UHFFFAOYSA-N 1 2 207.273 1.696 20 0 BDADLO C=C(F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001180115364 978822886 /nfs/dbraw/zinc/82/28/86/978822886.db2.gz GEAFWRYLODGQOB-UHFFFAOYSA-N 1 2 223.251 1.599 20 0 BDADLO C=C(F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001180115364 978822891 /nfs/dbraw/zinc/82/28/91/978822891.db2.gz GEAFWRYLODGQOB-UHFFFAOYSA-N 1 2 223.251 1.599 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc3[nH]ccc3cn2)C1 ZINC001234527156 978855324 /nfs/dbraw/zinc/85/53/24/978855324.db2.gz WQKWRYZYRSMRQB-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc3[nH]ccc3cn2)C1 ZINC001234527156 978855328 /nfs/dbraw/zinc/85/53/28/978855328.db2.gz WQKWRYZYRSMRQB-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO Cc1c[nH]c(CCNC(=O)COC(C)(C)C)[nH+]1 ZINC001180324450 978865665 /nfs/dbraw/zinc/86/56/65/978865665.db2.gz PEOCRWUXNNYAET-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](C)[C@H]2CO)[nH+]1 ZINC001339688510 978893597 /nfs/dbraw/zinc/89/35/97/978893597.db2.gz UNUQKVKIGHTUEO-GZMMTYOYSA-N 1 2 224.279 1.736 20 0 BDADLO Cc1ccccc1O[C@H](C)C(=O)NC1C[NH+](C)C1 ZINC001180527006 978894324 /nfs/dbraw/zinc/89/43/24/978894324.db2.gz RGHBWCACPAFXPP-LLVKDONJSA-N 1 2 248.326 1.193 20 0 BDADLO C[C@H](C(=O)Nc1ncccc1O)[NH+]1CCCC1 ZINC001180578332 978899948 /nfs/dbraw/zinc/89/99/48/978899948.db2.gz ZWZGHPAXPRURJO-SECBINFHSA-N 1 2 235.287 1.210 20 0 BDADLO Cc1cc(F)cc(N(C)[C@@H]2CCC[C@H]2O)[nH+]1 ZINC001339815848 978918707 /nfs/dbraw/zinc/91/87/07/978918707.db2.gz ZFOGYEQPUXGKNB-GHMZBOCLSA-N 1 2 224.279 1.879 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001234999161 978945947 /nfs/dbraw/zinc/94/59/47/978945947.db2.gz JBKXYANCDGNBTG-LBPRGKRZSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001234999161 978945952 /nfs/dbraw/zinc/94/59/52/978945952.db2.gz JBKXYANCDGNBTG-LBPRGKRZSA-N 1 2 239.294 1.353 20 0 BDADLO CCc1cc(N2CC(F)(F)C2)nc(C)[nH+]1 ZINC001340126915 978974657 /nfs/dbraw/zinc/97/46/57/978974657.db2.gz BZGONWSSZFSHLE-UHFFFAOYSA-N 1 2 213.231 1.803 20 0 BDADLO CCc1cccc(C[N@@H+]2CC[C@](F)(CO)C2)n1 ZINC001235254520 979010640 /nfs/dbraw/zinc/01/06/40/979010640.db2.gz MLNCFBAFJFFMJY-CYBMUJFWSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1cccc(C[N@H+]2CC[C@](F)(CO)C2)n1 ZINC001235254520 979010645 /nfs/dbraw/zinc/01/06/45/979010645.db2.gz MLNCFBAFJFFMJY-CYBMUJFWSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1cccc(C[N@H+](C)C2(C)COC2)n1 ZINC001235262359 979013899 /nfs/dbraw/zinc/01/38/99/979013899.db2.gz ZEKQGLQBHCMRBN-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1cccc(C[N@@H+](C)C2(C)COC2)n1 ZINC001235262359 979013902 /nfs/dbraw/zinc/01/39/02/979013902.db2.gz ZEKQGLQBHCMRBN-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)c(F)cn1 ZINC001235320612 979022765 /nfs/dbraw/zinc/02/27/65/979022765.db2.gz POHAGMMTBYUUFM-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@@H](O)C2)c(F)cn1 ZINC001235320612 979022771 /nfs/dbraw/zinc/02/27/71/979022771.db2.gz POHAGMMTBYUUFM-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO Cc1cnc(F)c(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC001235335270 979029711 /nfs/dbraw/zinc/02/97/11/979029711.db2.gz RBAXNDJENRNJIU-LLVKDONJSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cnc(F)c(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC001235335270 979029713 /nfs/dbraw/zinc/02/97/13/979029713.db2.gz RBAXNDJENRNJIU-LLVKDONJSA-N 1 2 224.279 1.750 20 0 BDADLO CC1(C)C[C@@H]1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001181292763 979031272 /nfs/dbraw/zinc/03/12/72/979031272.db2.gz CCGYLZQLNQCJPJ-SNVBAGLBSA-N 1 2 230.311 1.977 20 0 BDADLO C[C@H]1CN(C(=O)Cc2cc[nH+]c(N)c2)C2(CC2)C1 ZINC001181256365 979037518 /nfs/dbraw/zinc/03/75/18/979037518.db2.gz OSDHLQQICGNCLX-SNVBAGLBSA-N 1 2 245.326 1.607 20 0 BDADLO CSCC[N@H+](C)Cc1ncc(Cl)cn1 ZINC001235422190 979043837 /nfs/dbraw/zinc/04/38/37/979043837.db2.gz MHMXCVYRTDHMKU-UHFFFAOYSA-N 1 2 231.752 1.925 20 0 BDADLO CSCC[N@@H+](C)Cc1ncc(Cl)cn1 ZINC001235422190 979043842 /nfs/dbraw/zinc/04/38/42/979043842.db2.gz MHMXCVYRTDHMKU-UHFFFAOYSA-N 1 2 231.752 1.925 20 0 BDADLO C[C@H](O)CC(=O)Nc1cccc2[nH+]ccn21 ZINC001181344673 979070008 /nfs/dbraw/zinc/07/00/08/979070008.db2.gz APZBPBDLDORNOF-QMMMGPOBSA-N 1 2 219.244 1.044 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001235537694 979080507 /nfs/dbraw/zinc/08/05/07/979080507.db2.gz IIDFQRBWKGHPAU-PHIMTYICSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001235537694 979080513 /nfs/dbraw/zinc/08/05/13/979080513.db2.gz IIDFQRBWKGHPAU-PHIMTYICSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1ncn(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC001235541743 979084372 /nfs/dbraw/zinc/08/43/72/979084372.db2.gz XBNFDHGXNGJBLN-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1ncn(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC001235541743 979084380 /nfs/dbraw/zinc/08/43/80/979084380.db2.gz XBNFDHGXNGJBLN-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001235541259 979087191 /nfs/dbraw/zinc/08/71/91/979087191.db2.gz SLVYCLIFRXCKCP-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001235541259 979087199 /nfs/dbraw/zinc/08/71/99/979087199.db2.gz SLVYCLIFRXCKCP-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001340811506 979117542 /nfs/dbraw/zinc/11/75/42/979117542.db2.gz ZDGOQSOCVJYVEH-YUSALJHKSA-N 1 2 244.294 1.284 20 0 BDADLO CO[C@@H](C)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001181554514 979156098 /nfs/dbraw/zinc/15/60/98/979156098.db2.gz WGHQTTVVKFXSQJ-VIFPVBQESA-N 1 2 234.299 1.356 20 0 BDADLO [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980692 979252199 /nfs/dbraw/zinc/25/21/99/979252199.db2.gz NEVQBVOSIVHWSO-JSGCOSHPSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980692 979252210 /nfs/dbraw/zinc/25/22/10/979252210.db2.gz NEVQBVOSIVHWSO-JSGCOSHPSA-N 1 2 246.310 1.308 20 0 BDADLO OCC[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001236086110 979373900 /nfs/dbraw/zinc/37/39/00/979373900.db2.gz BBQVMDSSVBNUDR-UHFFFAOYSA-N 1 2 217.268 1.783 20 0 BDADLO OCC[N@H+]1CCc2c3ccccc3oc2C1 ZINC001236086110 979373912 /nfs/dbraw/zinc/37/39/12/979373912.db2.gz BBQVMDSSVBNUDR-UHFFFAOYSA-N 1 2 217.268 1.783 20 0 BDADLO COc1nccc(C[N@H+](C)CCO)c1Cl ZINC001236255936 979476020 /nfs/dbraw/zinc/47/60/20/979476020.db2.gz JYWNFIOATYTXFL-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO COc1nccc(C[N@@H+](C)CCO)c1Cl ZINC001236255936 979476025 /nfs/dbraw/zinc/47/60/25/979476025.db2.gz JYWNFIOATYTXFL-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO Cc1ccc(Nc2c(N)cnn2C)c(C)[nH+]1 ZINC001203370821 979478449 /nfs/dbraw/zinc/47/84/49/979478449.db2.gz VMPOCVONVZOUBF-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO CCCc1n[nH]cc1C(=O)OCCn1cc[nH+]c1 ZINC001341649548 979508185 /nfs/dbraw/zinc/50/81/85/979508185.db2.gz IXRNKSDQQFLFIO-UHFFFAOYSA-N 1 2 248.286 1.416 20 0 BDADLO Nc1ccc(-c2ccc(-n3nccn3)cc2)c[nH+]1 ZINC001236318334 979532352 /nfs/dbraw/zinc/53/23/52/979532352.db2.gz VZOOTWIAXLDQIU-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603868436 979536597 /nfs/dbraw/zinc/53/65/97/979536597.db2.gz CFSBXGVCJGVXKA-MNOVXSKESA-N 1 2 228.336 1.170 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603868436 979536601 /nfs/dbraw/zinc/53/66/01/979536601.db2.gz CFSBXGVCJGVXKA-MNOVXSKESA-N 1 2 228.336 1.170 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccnc2Cl)CCCO1 ZINC001236614397 979679197 /nfs/dbraw/zinc/67/91/97/979679197.db2.gz ZPMJARSCWKIWNY-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccnc2Cl)CCCO1 ZINC001236614397 979679200 /nfs/dbraw/zinc/67/92/00/979679200.db2.gz ZPMJARSCWKIWNY-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1C[C@H]1C(=O)[O-] ZINC001604753662 979716788 /nfs/dbraw/zinc/71/67/88/979716788.db2.gz HFHAGGHQNWYZGZ-DDHJBXDOSA-N 1 2 240.347 1.027 20 0 BDADLO C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1C[C@H]1C(=O)[O-] ZINC001604753662 979716794 /nfs/dbraw/zinc/71/67/94/979716794.db2.gz HFHAGGHQNWYZGZ-DDHJBXDOSA-N 1 2 240.347 1.027 20 0 BDADLO CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(C(=O)[O-])cc1 ZINC001605096861 979815442 /nfs/dbraw/zinc/81/54/42/979815442.db2.gz IYHLCRZBIUJQLU-GFCCVEGCSA-N 1 2 236.315 1.645 20 0 BDADLO O=c1[nH]c(Cl)c(C[N@H+]2CCC[C@@H](O)C2)s1 ZINC001237160114 979822964 /nfs/dbraw/zinc/82/29/64/979822964.db2.gz GKFOUGBKPBONNZ-ZCFIWIBFSA-N 1 2 248.735 1.459 20 0 BDADLO O=c1[nH]c(Cl)c(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC001237160114 979822965 /nfs/dbraw/zinc/82/29/65/979822965.db2.gz GKFOUGBKPBONNZ-ZCFIWIBFSA-N 1 2 248.735 1.459 20 0 BDADLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2CC1OC=CC1=S ZINC001237188371 979837941 /nfs/dbraw/zinc/83/79/41/979837941.db2.gz WUQVVTJGXPFDRT-UWVGGRQHSA-N 1 2 238.356 1.847 20 0 BDADLO CC[N@H+]1C[C@@H]2C[C@H]1CN2CC1OC=CC1=S ZINC001237188371 979837944 /nfs/dbraw/zinc/83/79/44/979837944.db2.gz WUQVVTJGXPFDRT-UWVGGRQHSA-N 1 2 238.356 1.847 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@@H+]2CC1OC=CC1=S ZINC001237188371 979837950 /nfs/dbraw/zinc/83/79/50/979837950.db2.gz WUQVVTJGXPFDRT-UWVGGRQHSA-N 1 2 238.356 1.847 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@H+]2CC1OC=CC1=S ZINC001237188371 979837955 /nfs/dbraw/zinc/83/79/55/979837955.db2.gz WUQVVTJGXPFDRT-UWVGGRQHSA-N 1 2 238.356 1.847 20 0 BDADLO OCCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237200144 979845357 /nfs/dbraw/zinc/84/53/57/979845357.db2.gz WNPCVHZTHHCFFS-STQMWFEESA-N 1 2 249.310 1.031 20 0 BDADLO OCCOc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237200144 979845361 /nfs/dbraw/zinc/84/53/61/979845361.db2.gz WNPCVHZTHHCFFS-STQMWFEESA-N 1 2 249.310 1.031 20 0 BDADLO CC(=O)Nc1ccccc1C[N@@H+](C)C1(C)COC1 ZINC001237411775 979884172 /nfs/dbraw/zinc/88/41/72/979884172.db2.gz BVRMICZWEAQLTE-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO CC(=O)Nc1ccccc1C[N@H+](C)C1(C)COC1 ZINC001237411775 979884177 /nfs/dbraw/zinc/88/41/77/979884177.db2.gz BVRMICZWEAQLTE-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO Cc1c[nH]nc1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183929682 979908159 /nfs/dbraw/zinc/90/81/59/979908159.db2.gz SDVHLTKVGHXTMS-UHFFFAOYSA-N 1 2 245.286 1.267 20 0 BDADLO Nc1ccc(CCC(=O)Nc2cnoc2)c[nH+]1 ZINC001183929583 979910767 /nfs/dbraw/zinc/91/07/67/979910767.db2.gz PLWQUAIIKQZBPI-UHFFFAOYSA-N 1 2 232.243 1.223 20 0 BDADLO COc1c(C)cccc1C[NH+]1CC(OC)C1 ZINC001237499692 979923751 /nfs/dbraw/zinc/92/37/51/979923751.db2.gz DXKULYSVEZPATN-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccn3nccc3c2)C1 ZINC001237550606 979940477 /nfs/dbraw/zinc/94/04/77/979940477.db2.gz RPHDKXJDPOKVPS-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccn3nccc3c2)C1 ZINC001237550606 979940483 /nfs/dbraw/zinc/94/04/83/979940483.db2.gz RPHDKXJDPOKVPS-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237587754 979946791 /nfs/dbraw/zinc/94/67/91/979946791.db2.gz IWHLFZZTLPENLX-AOOOYVTPSA-N 1 2 215.247 1.395 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cnccn1 ZINC001237590655 979948933 /nfs/dbraw/zinc/94/89/33/979948933.db2.gz RUFAKLQPOGOHGW-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO CCN(Cc1c[nH+]cn1CC)[C@@H](C)C(=O)OC ZINC001237594537 979955812 /nfs/dbraw/zinc/95/58/12/979955812.db2.gz UWPUEPDTRJHVPR-JTQLQIEISA-N 1 2 239.319 1.286 20 0 BDADLO C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001606297386 979992967 /nfs/dbraw/zinc/99/29/67/979992967.db2.gz OEKSRZSVCNVSNQ-SECBINFHSA-N 1 2 238.287 1.019 20 0 BDADLO C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001606297386 979992975 /nfs/dbraw/zinc/99/29/75/979992975.db2.gz OEKSRZSVCNVSNQ-SECBINFHSA-N 1 2 238.287 1.019 20 0 BDADLO CN(C(=O)C[C@H]([NH3+])C(F)F)c1nccs1 ZINC001343150168 980020275 /nfs/dbraw/zinc/02/02/75/980020275.db2.gz UDGHCUUIKYXAKW-YFKPBYRVSA-N 1 2 235.259 1.088 20 0 BDADLO CN(C(=O)C[C@@H]([NH3+])C(F)F)c1nccs1 ZINC001343150167 980023040 /nfs/dbraw/zinc/02/30/40/980023040.db2.gz UDGHCUUIKYXAKW-RXMQYKEDSA-N 1 2 235.259 1.088 20 0 BDADLO COc1ccoc1C[NH+]1CC2(CC(O)C2)C1 ZINC001237862993 980102421 /nfs/dbraw/zinc/10/24/21/980102421.db2.gz HPZHWYRQNVVBBQ-UHFFFAOYSA-N 1 2 223.272 1.245 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC001343457421 980112604 /nfs/dbraw/zinc/11/26/04/980112604.db2.gz QFFPQNDLBMMRRA-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ccc(C)cn1 ZINC000716467422 980141682 /nfs/dbraw/zinc/14/16/82/980141682.db2.gz XNLBJIHVSHUVOT-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1C ZINC001238093221 980143472 /nfs/dbraw/zinc/14/34/72/980143472.db2.gz PDXQRYKGKRKGBN-CYBMUJFWSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(O)ccc1C ZINC001238093221 980143475 /nfs/dbraw/zinc/14/34/75/980143475.db2.gz PDXQRYKGKRKGBN-CYBMUJFWSA-N 1 2 249.310 1.838 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001238165179 980198094 /nfs/dbraw/zinc/19/80/94/980198094.db2.gz RZMUOGHIZZTZOB-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1ncncc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001238165179 980198104 /nfs/dbraw/zinc/19/81/04/980198104.db2.gz RZMUOGHIZZTZOB-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001238177180 980210058 /nfs/dbraw/zinc/21/00/58/980210058.db2.gz DSXMYEUKDOGYOT-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncncc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001238177180 980210068 /nfs/dbraw/zinc/21/00/68/980210068.db2.gz DSXMYEUKDOGYOT-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)C1CC=CC1 ZINC001343740615 980232119 /nfs/dbraw/zinc/23/21/19/980232119.db2.gz WUZAKGOKHWHVLB-UHFFFAOYSA-N 1 2 234.299 1.862 20 0 BDADLO CC(C)CCSCC(=O)NOC[C@@H](C)[NH3+] ZINC001343800568 980249169 /nfs/dbraw/zinc/24/91/69/980249169.db2.gz YADZHPSINONLSV-SECBINFHSA-N 1 2 234.365 1.161 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ncc(C)cc1C ZINC001238425900 980251804 /nfs/dbraw/zinc/25/18/04/980251804.db2.gz JPHQBEKLBRRFRT-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ncc(C)cc1C ZINC001238425900 980251815 /nfs/dbraw/zinc/25/18/15/980251815.db2.gz JPHQBEKLBRRFRT-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO COc1cnc(C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC001238483849 980276835 /nfs/dbraw/zinc/27/68/35/980276835.db2.gz WBTOUJVGXNSUPN-MRVPVSSYSA-N 1 2 242.706 1.310 20 0 BDADLO COc1cnc(C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC001238483849 980276839 /nfs/dbraw/zinc/27/68/39/980276839.db2.gz WBTOUJVGXNSUPN-MRVPVSSYSA-N 1 2 242.706 1.310 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cn[nH]c1 ZINC001343959262 980290284 /nfs/dbraw/zinc/29/02/84/980290284.db2.gz DQWJCFWFDKRPSC-SECBINFHSA-N 1 2 246.318 1.188 20 0 BDADLO CCc1cc(N2CC[C@H](C)[C@H](O)C2)nc(CC)[nH+]1 ZINC001185969527 980309207 /nfs/dbraw/zinc/30/92/07/980309207.db2.gz NELXNPCUTPAVMF-CMPLNLGQSA-N 1 2 249.358 1.809 20 0 BDADLO CCOc1cc(C[NH+]2CC=CC2)c(F)cn1 ZINC001238727928 980318320 /nfs/dbraw/zinc/31/83/20/980318320.db2.gz FTWFEIHKSRQJPA-UHFFFAOYSA-N 1 2 222.263 1.991 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1(C(=O)[O-])CCC1 ZINC001595289100 980376212 /nfs/dbraw/zinc/37/62/12/980376212.db2.gz FKBXQOMAJVIMOM-GHMZBOCLSA-N 1 2 242.363 1.560 20 0 BDADLO c1nocc1-c1c[nH+]c2c(c1)CCCN2 ZINC001239195012 980497580 /nfs/dbraw/zinc/49/75/80/980497580.db2.gz XHZUZQWYUYZGDL-UHFFFAOYSA-N 1 2 201.229 1.737 20 0 BDADLO CCc1[nH]c(CNc2ncccn2)c[nH+]1 ZINC001187739922 980545183 /nfs/dbraw/zinc/54/51/83/980545183.db2.gz OPAWEVRWLWBXBQ-UHFFFAOYSA-N 1 2 203.249 1.374 20 0 BDADLO CCc1[nH]cc(CNc2ncccn2)[nH+]1 ZINC001187739922 980545188 /nfs/dbraw/zinc/54/51/88/980545188.db2.gz OPAWEVRWLWBXBQ-UHFFFAOYSA-N 1 2 203.249 1.374 20 0 BDADLO Nc1ccc(CC[NH+]2CCOCC2)cc1Cl ZINC001250277672 980650572 /nfs/dbraw/zinc/65/05/72/980650572.db2.gz LOGOLSBRAKPPIU-UHFFFAOYSA-N 1 2 240.734 1.797 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1C[C@@H]1F ZINC001345692978 980672052 /nfs/dbraw/zinc/67/20/52/980672052.db2.gz SQQOXFJEOMIFMB-IUCAKERBSA-N 1 2 226.251 1.254 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ccc[nH]1 ZINC001188581436 980673228 /nfs/dbraw/zinc/67/32/28/980673228.db2.gz LALTWBPHVJXASV-UHFFFAOYSA-N 1 2 244.298 1.866 20 0 BDADLO COc1cccc(C)c1C(=O)N1CC[NH+](C)CC1 ZINC001188778580 980706395 /nfs/dbraw/zinc/70/63/95/980706395.db2.gz ANBYCAWIMRDASH-UHFFFAOYSA-N 1 2 248.326 1.391 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)c(C)[nH]1 ZINC001189004724 980733290 /nfs/dbraw/zinc/73/32/90/980733290.db2.gz SRIPPKSFAMTCKU-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cccnc2)cc1 ZINC001239568703 980754852 /nfs/dbraw/zinc/75/48/52/980754852.db2.gz BJSLDBNDAKDPMD-ZDUSSCGKSA-N 1 2 242.278 1.921 20 0 BDADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nncn2C)cnn1C ZINC001346217240 980788963 /nfs/dbraw/zinc/78/89/63/980788963.db2.gz KPNFCOMHRDDJBC-IUCAKERBSA-N 1 2 248.334 1.269 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)OC1CCC1 ZINC001189442143 980792120 /nfs/dbraw/zinc/79/21/20/980792120.db2.gz PYEAKUSWQUWMTP-VIFPVBQESA-N 1 2 235.287 1.477 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C1CC1 ZINC001346478965 980849712 /nfs/dbraw/zinc/84/97/12/980849712.db2.gz WUZUHSYAQGPUMT-VMZHVLLKSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C1CC1 ZINC001346478965 980849714 /nfs/dbraw/zinc/84/97/14/980849714.db2.gz WUZUHSYAQGPUMT-VMZHVLLKSA-N 1 2 233.315 1.671 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC=CO1 ZINC001346650251 980874862 /nfs/dbraw/zinc/87/48/62/980874862.db2.gz VNNIYSWAPRTYJH-LLVKDONJSA-N 1 2 249.314 1.162 20 0 BDADLO CNc1cc(CNC(=O)N[C@H]2CC[C@@H]2C)cc[nH+]1 ZINC001346970005 980940832 /nfs/dbraw/zinc/94/08/32/980940832.db2.gz COMYHPGHDHNILK-ONGXEEELSA-N 1 2 248.330 1.721 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2n[nH]c(C)c2C)[nH+]1 ZINC001191126206 980974650 /nfs/dbraw/zinc/97/46/50/980974650.db2.gz CQTRFLSHBILWFJ-UHFFFAOYSA-N 1 2 247.302 1.031 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(C(N)=O)cc1 ZINC001239870741 981013982 /nfs/dbraw/zinc/01/39/82/981013982.db2.gz WTDWNSCBYIOLTB-UHFFFAOYSA-N 1 2 201.229 1.186 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC001347338992 981049735 /nfs/dbraw/zinc/04/97/35/981049735.db2.gz KYGJMBNQQQBPAR-MNOVXSKESA-N 1 2 233.315 1.125 20 0 BDADLO c1n[nH]cc1-c1c[nH+]c2c(c1)CCCN2 ZINC001240244059 981223322 /nfs/dbraw/zinc/22/33/22/981223322.db2.gz WTZKWGRJALSOTO-UHFFFAOYSA-N 1 2 200.245 1.473 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cnn(C)c2)cc1 ZINC001240296770 981248149 /nfs/dbraw/zinc/24/81/49/981248149.db2.gz AJDMWMSKDKJYNY-GFCCVEGCSA-N 1 2 245.282 1.260 20 0 BDADLO O=c1cc(N2CCC(c3c[nH]c[nH+]3)CC2)nc[nH]1 ZINC001348031686 981253818 /nfs/dbraw/zinc/25/38/18/981253818.db2.gz QQTBVPCPPMHESQ-UHFFFAOYSA-N 1 2 245.286 1.289 20 0 BDADLO Cc1nn(C)cc1-c1ccn2cc(N)[nH+]c2c1 ZINC001240300435 981260289 /nfs/dbraw/zinc/26/02/89/981260289.db2.gz CEDRNSGWFGYGDF-UHFFFAOYSA-N 1 2 227.271 1.625 20 0 BDADLO CCc1ccc(N2CC[C@@H](CC(N)=O)C2)[nH+]c1 ZINC001348184139 981303509 /nfs/dbraw/zinc/30/35/09/981303509.db2.gz RWAMBENAUIAGKP-NSHDSACASA-N 1 2 233.315 1.346 20 0 BDADLO CN(CCCF)C(=O)CCc1[nH+]ccn1C ZINC001348295878 981330175 /nfs/dbraw/zinc/33/01/75/981330175.db2.gz YSFWKBSWNLZJJJ-UHFFFAOYSA-N 1 2 227.283 1.171 20 0 BDADLO Cc1c(-c2cc(-n3ccnc3)cc[nH+]2)cnn1C ZINC001240380676 981338191 /nfs/dbraw/zinc/33/81/91/981338191.db2.gz ZCETVPZMFVBDSZ-UHFFFAOYSA-N 1 2 239.282 1.976 20 0 BDADLO CCn1nncc1C[NH2+]Cc1oc(C)nc1C ZINC001348388303 981353286 /nfs/dbraw/zinc/35/32/86/981353286.db2.gz ORBLKCKLVOCDBT-UHFFFAOYSA-N 1 2 235.291 1.193 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccnc(C(F)F)c2)C1 ZINC001193657613 981397808 /nfs/dbraw/zinc/39/78/08/981397808.db2.gz YWWZPTUCXYJYNJ-UHFFFAOYSA-N 1 2 241.241 1.063 20 0 BDADLO COCc1ccnc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496954 981416981 /nfs/dbraw/zinc/41/69/81/981416981.db2.gz UMMUHUOYLIHXKD-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO CCCCCOC(=O)NCCc1cn(C)c[nH+]1 ZINC001193774705 981432026 /nfs/dbraw/zinc/43/20/26/981432026.db2.gz BGVMTHPMPGJWJT-UHFFFAOYSA-N 1 2 239.319 1.879 20 0 BDADLO c1cn2ccc(-c3cncc4nncn43)cc2[nH+]1 ZINC001240513166 981440002 /nfs/dbraw/zinc/44/00/02/981440002.db2.gz JZGBDVXXSVTUDL-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3CC[C@H]2O3)cc[nH+]1 ZINC001348778895 981441293 /nfs/dbraw/zinc/44/12/93/981441293.db2.gz MMOTUYIUGFOGRM-IVZWLZJFSA-N 1 2 205.261 1.517 20 0 BDADLO COc1cc(-c2ccc[nH+]c2N)cnc1OC ZINC001240620601 981516343 /nfs/dbraw/zinc/51/63/43/981516343.db2.gz UNASSPWMZDGVLI-UHFFFAOYSA-N 1 2 231.255 1.743 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnn([C@H]2CCOC2)c1 ZINC001240637557 981530637 /nfs/dbraw/zinc/53/06/37/981530637.db2.gz SOIJGSCCHAUSJB-ZTTYDPOMSA-N 1 2 219.288 1.720 20 0 BDADLO C[C@H](CC(=O)NCCC(F)F)n1cc[nH+]c1 ZINC001349696205 981651765 /nfs/dbraw/zinc/65/17/65/981651765.db2.gz ZGXABLVIOOPDSX-MRVPVSSYSA-N 1 2 231.246 1.606 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)c(C)o1 ZINC001583333638 981812301 /nfs/dbraw/zinc/81/23/01/981812301.db2.gz MLUHHVFRGTWIBQ-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3cnoc3)C2)C1 ZINC001205670686 981839783 /nfs/dbraw/zinc/83/97/83/981839783.db2.gz SAORFOGBNAMKRA-UHFFFAOYSA-N 1 2 214.215 1.906 20 0 BDADLO CC(C)CCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001194795084 981881969 /nfs/dbraw/zinc/88/19/69/981881969.db2.gz IGSUVRXPVHNRHX-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CC(C)CCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001194795084 981881975 /nfs/dbraw/zinc/88/19/75/981881975.db2.gz IGSUVRXPVHNRHX-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CC[C@H](C)COC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001194813975 981911486 /nfs/dbraw/zinc/91/14/86/981911486.db2.gz COFSRAOIXCDKBB-WDEREUQCSA-N 1 2 244.335 1.089 20 0 BDADLO CC[C@H](C)COC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001194813975 981911491 /nfs/dbraw/zinc/91/14/91/981911491.db2.gz COFSRAOIXCDKBB-WDEREUQCSA-N 1 2 244.335 1.089 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C12CC(C1)C2 ZINC001350345715 981933874 /nfs/dbraw/zinc/93/38/74/981933874.db2.gz UPRHDYAUQKQOIA-UHFFFAOYSA-N 1 2 220.272 1.746 20 0 BDADLO CC(C)([NH2+]Cc1ncn[nH]1)C1CCOCC1 ZINC001350371942 981948818 /nfs/dbraw/zinc/94/88/18/981948818.db2.gz VLAMOIKMOBHJKW-UHFFFAOYSA-N 1 2 224.308 1.100 20 0 BDADLO C/C=C\C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001350586580 982012224 /nfs/dbraw/zinc/01/22/24/982012224.db2.gz VVKHYMANUNDFBD-KTLBGCOUSA-N 1 2 247.342 1.777 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001195157000 982140666 /nfs/dbraw/zinc/14/06/66/982140666.db2.gz NSEGRWZCEPNPTD-QWRGUYRKSA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001351161224 982223290 /nfs/dbraw/zinc/22/32/90/982223290.db2.gz FDESCYSCQHUXEK-QPUJVOFHSA-N 1 2 242.269 1.563 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001351161224 982223300 /nfs/dbraw/zinc/22/33/00/982223300.db2.gz FDESCYSCQHUXEK-QPUJVOFHSA-N 1 2 242.269 1.563 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1CCc2ccccc2C1 ZINC001351220347 982238695 /nfs/dbraw/zinc/23/86/95/982238695.db2.gz LEOGLQVROMRENO-CYBMUJFWSA-N 1 2 242.326 1.794 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1CCc2ccccc2C1 ZINC001351220347 982238702 /nfs/dbraw/zinc/23/87/02/982238702.db2.gz LEOGLQVROMRENO-CYBMUJFWSA-N 1 2 242.326 1.794 20 0 BDADLO CSCCCNC(=O)CCc1[nH+]ccn1C ZINC001351244941 982246367 /nfs/dbraw/zinc/24/63/67/982246367.db2.gz XENFFOBORULYCB-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO CCOCCOCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001351294118 982267950 /nfs/dbraw/zinc/26/79/50/982267950.db2.gz IWLPKELCKFXJNZ-SECBINFHSA-N 1 2 243.307 1.082 20 0 BDADLO Nc1cc(-c2cccc(-c3nn[nH]n3)c2)cc[nH+]1 ZINC001241169551 982310874 /nfs/dbraw/zinc/31/08/74/982310874.db2.gz DWCIVWPEYFOWBT-UHFFFAOYSA-N 1 2 238.254 1.511 20 0 BDADLO CNC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1F ZINC001241169630 982313081 /nfs/dbraw/zinc/31/30/81/982313081.db2.gz IYFPITISLQGVIL-UHFFFAOYSA-N 1 2 245.257 1.830 20 0 BDADLO Cn1nnc2ccc(-c3cc[nH+]c(N)c3)cc21 ZINC001241169952 982314585 /nfs/dbraw/zinc/31/45/85/982314585.db2.gz BHNKFJPFZFGDEK-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO Nc1cc(-c2cccc3c2C(=O)NCC3)cc[nH+]1 ZINC001241170417 982315484 /nfs/dbraw/zinc/31/54/84/982315484.db2.gz MQTNHQNHKNYVND-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO CCn1cc(-c2cc[nH+]c(N)c2)ccc1=O ZINC001241170499 982317433 /nfs/dbraw/zinc/31/74/33/982317433.db2.gz LGAQRXMYHYJWMV-UHFFFAOYSA-N 1 2 215.256 1.512 20 0 BDADLO Cc1cc(C(N)=O)ccc1-c1cc[nH+]c(N)c1 ZINC001241170465 982319656 /nfs/dbraw/zinc/31/96/56/982319656.db2.gz PLVSWOYPLGFMSX-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Cc1nnc2cc(-c3cc[nH+]c(N)c3)ccn12 ZINC001241170498 982319819 /nfs/dbraw/zinc/31/98/19/982319819.db2.gz LFKHRJYEUHTXAY-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CC[C@H](C)N(OC)C(=O)CCc1[nH+]ccn1C ZINC001351666856 982356743 /nfs/dbraw/zinc/35/67/43/982356743.db2.gz QGMIRNNYUCUWBT-JTQLQIEISA-N 1 2 239.319 1.541 20 0 BDADLO COc1cncc(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001241227823 982376174 /nfs/dbraw/zinc/37/61/74/982376174.db2.gz DDBHXELCJQXTGO-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO CCCC[N@H+](C)CC[NH2+]C1CC(CC(=O)[O-])C1 ZINC001595737220 982390107 /nfs/dbraw/zinc/39/01/07/982390107.db2.gz QVOHTRZJVYRMPD-UHFFFAOYSA-N 1 2 242.363 1.561 20 0 BDADLO CCCC[N@@H+](C)CC[NH2+]C1CC(CC(=O)[O-])C1 ZINC001595737220 982390113 /nfs/dbraw/zinc/39/01/13/982390113.db2.gz QVOHTRZJVYRMPD-UHFFFAOYSA-N 1 2 242.363 1.561 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC001203174815 982392384 /nfs/dbraw/zinc/39/23/84/982392384.db2.gz HJWPXZDICLXBOZ-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC001203174815 982392394 /nfs/dbraw/zinc/39/23/94/982392394.db2.gz HJWPXZDICLXBOZ-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO CCN(C[C@H]1CCOC1)c1nccn2c[nH+]cc12 ZINC001351996860 982427200 /nfs/dbraw/zinc/42/72/00/982427200.db2.gz FHEWXHDZJPLPFU-LLVKDONJSA-N 1 2 246.314 1.592 20 0 BDADLO CCOc1ccc(CN2CCn3c[nH+]cc3C2)o1 ZINC001352065508 982450744 /nfs/dbraw/zinc/45/07/44/982450744.db2.gz UAXHSQQBMOSMCG-UHFFFAOYSA-N 1 2 247.298 1.891 20 0 BDADLO CCc1cc(N2CC[C@H](O)C2(C)C)nc(CC)[nH+]1 ZINC001352065592 982451771 /nfs/dbraw/zinc/45/17/71/982451771.db2.gz VQIPEEQKNQZADV-NSHDSACASA-N 1 2 249.358 1.951 20 0 BDADLO CC[C@H](C)N(CC)C(=O)CCc1[nH+]ccn1C ZINC001352423360 982522906 /nfs/dbraw/zinc/52/29/06/982522906.db2.gz KFMJXQDOPUIBNV-NSHDSACASA-N 1 2 237.347 2.000 20 0 BDADLO CCOc1ccc[nH+]c1N[C@H](C)CCO ZINC000160260174 982544867 /nfs/dbraw/zinc/54/48/67/982544867.db2.gz PBWLYUFHHFKGEM-SECBINFHSA-N 1 2 210.277 1.663 20 0 BDADLO c1[nH]nc2ncc(-c3cc[nH+]c4c3CCN4)cc12 ZINC001241427603 982580830 /nfs/dbraw/zinc/58/08/30/982580830.db2.gz OPZFTQHXEFWNST-UHFFFAOYSA-N 1 2 237.266 1.988 20 0 BDADLO C[C@@H](C(=O)NCCOC1CCC1)n1cc[nH+]c1 ZINC000081240544 982582780 /nfs/dbraw/zinc/58/27/80/982582780.db2.gz VHWQXEYOQVXIMZ-JTQLQIEISA-N 1 2 237.303 1.129 20 0 BDADLO CNC(=O)c1cc(-c2cc[nH+]c(NC)c2)ccn1 ZINC001241433664 982588042 /nfs/dbraw/zinc/58/80/42/982588042.db2.gz QDKSDZXBFLJOPH-UHFFFAOYSA-N 1 2 242.282 1.545 20 0 BDADLO CNC(=O)c1cc(-c2ccc(N)[nH+]c2)ccn1 ZINC001241432885 982588078 /nfs/dbraw/zinc/58/80/78/982588078.db2.gz QJGOAATYJUCXSP-UHFFFAOYSA-N 1 2 228.255 1.085 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2c(cnn2C)C1 ZINC001205813899 982590538 /nfs/dbraw/zinc/59/05/38/982590538.db2.gz OBULPDMCNLWXKX-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2c(cnn2C)C1 ZINC001205813899 982590547 /nfs/dbraw/zinc/59/05/47/982590547.db2.gz OBULPDMCNLWXKX-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@@H+](CC2(C)COC2)C1 ZINC001197787989 982595224 /nfs/dbraw/zinc/59/52/24/982595224.db2.gz ZHWKASUFQUIDIL-JTQLQIEISA-N 1 2 235.331 1.440 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@H+](CC2(C)COC2)C1 ZINC001197787989 982595235 /nfs/dbraw/zinc/59/52/35/982595235.db2.gz ZHWKASUFQUIDIL-JTQLQIEISA-N 1 2 235.331 1.440 20 0 BDADLO COC1(C[NH2+]C2(C(F)F)CC2)CCC1 ZINC001352863430 982608905 /nfs/dbraw/zinc/60/89/05/982608905.db2.gz OXXDGZZUIMLHQL-UHFFFAOYSA-N 1 2 205.248 1.943 20 0 BDADLO CCN1C[C@@H](C)[N@H+](Cc2ccccc2)CC1=O ZINC001203315178 982673422 /nfs/dbraw/zinc/67/34/22/982673422.db2.gz TVHNQVSVIARQRW-GFCCVEGCSA-N 1 2 232.327 1.739 20 0 BDADLO CCN1C[C@@H](C)[N@@H+](Cc2ccccc2)CC1=O ZINC001203315178 982673429 /nfs/dbraw/zinc/67/34/29/982673429.db2.gz TVHNQVSVIARQRW-GFCCVEGCSA-N 1 2 232.327 1.739 20 0 BDADLO O=C1C[N@H+](C/C=C\c2cccc(F)c2)CCCN1 ZINC001353581437 982897772 /nfs/dbraw/zinc/89/77/72/982897772.db2.gz LTUYQHSEJVHABD-DJWKRKHSSA-N 1 2 248.301 1.661 20 0 BDADLO O=C1C[N@@H+](C/C=C\c2cccc(F)c2)CCCN1 ZINC001353581437 982897774 /nfs/dbraw/zinc/89/77/74/982897774.db2.gz LTUYQHSEJVHABD-DJWKRKHSSA-N 1 2 248.301 1.661 20 0 BDADLO CCOc1ccc(-c2c[nH+]cn2C)cn1 ZINC001241703120 982963410 /nfs/dbraw/zinc/96/34/10/982963410.db2.gz YQJQOXVDTAKPCE-UHFFFAOYSA-N 1 2 203.245 1.881 20 0 BDADLO CN1CC[C@]2(CCC[N@H+](CC(F)F)CC2)C1=O ZINC001273849112 983097960 /nfs/dbraw/zinc/09/79/60/983097960.db2.gz VWHAJTNULQSQFU-LBPRGKRZSA-N 1 2 246.301 1.586 20 0 BDADLO CN1CC[C@]2(CCC[N@@H+](CC(F)F)CC2)C1=O ZINC001273849112 983097962 /nfs/dbraw/zinc/09/79/62/983097962.db2.gz VWHAJTNULQSQFU-LBPRGKRZSA-N 1 2 246.301 1.586 20 0 BDADLO COc1nc(C)cnc1Nc1ccc(N)[nH+]c1 ZINC001201279641 983158079 /nfs/dbraw/zinc/15/80/79/983158079.db2.gz YBDFDNISYGYINU-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO NC(=O)c1c(F)cccc1Nc1ccc(N)[nH+]c1 ZINC001201287010 983163889 /nfs/dbraw/zinc/16/38/89/983163889.db2.gz NXCMHRKUPZHNOE-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO Cn1cnc2ncnc-2c1Nc1ccc(N)[nH+]c1 ZINC001201275421 983174973 /nfs/dbraw/zinc/17/49/73/983174973.db2.gz FIAFVPGRFJIRIA-UHFFFAOYSA-N 1 2 241.258 1.036 20 0 BDADLO Cc1ccc(O)c(Nc2ccc(N)[nH+]c2)n1 ZINC001201276020 983176023 /nfs/dbraw/zinc/17/60/23/983176023.db2.gz OILQJDCZPSIWFU-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO Nc1ccc(Nc2cncnc2Cl)c[nH+]1 ZINC001201272865 983176109 /nfs/dbraw/zinc/17/61/09/983176109.db2.gz VEVKAWPMDNXKMH-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO Cc1cc(F)cc(N[C@@H](C)C[S@](C)=O)[nH+]1 ZINC001354157179 983177833 /nfs/dbraw/zinc/17/78/33/983177833.db2.gz ORBAAWSMINXPGQ-AYVTZFPOSA-N 1 2 230.308 1.708 20 0 BDADLO COc1cc(Nc2ccc(N)[nH+]c2)c(F)cn1 ZINC001201278299 983178429 /nfs/dbraw/zinc/17/84/29/983178429.db2.gz HMXWGVMVFAZBJZ-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@@H]1CC=CCC1 ZINC001201409222 983202910 /nfs/dbraw/zinc/20/29/10/983202910.db2.gz POSKNJMEDAVSPG-UTUOFQBUSA-N 1 2 241.306 1.928 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@@H]1CC=CCC1 ZINC001201409222 983202917 /nfs/dbraw/zinc/20/29/17/983202917.db2.gz POSKNJMEDAVSPG-UTUOFQBUSA-N 1 2 241.306 1.928 20 0 BDADLO CNC(=S)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001200608374 983224771 /nfs/dbraw/zinc/22/47/71/983224771.db2.gz LGYVQTQGXNBJLS-UHFFFAOYSA-N 1 2 246.339 1.848 20 0 BDADLO C[N@@H+]1CC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001354281448 983251002 /nfs/dbraw/zinc/25/10/02/983251002.db2.gz ICYNLXGBSDVNCA-LURJTMIESA-N 1 2 245.735 1.230 20 0 BDADLO C[N@H+]1CC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001354281448 983251008 /nfs/dbraw/zinc/25/10/08/983251008.db2.gz ICYNLXGBSDVNCA-LURJTMIESA-N 1 2 245.735 1.230 20 0 BDADLO COC(=O)c1ccc(-c2c[nH+]c(N)cc2C)nn1 ZINC001242070986 983303740 /nfs/dbraw/zinc/30/37/40/983303740.db2.gz QADDJGATHUNQLB-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO CCOc1ccnc(-c2c[nH+]c(N)cc2C)n1 ZINC001242071278 983304805 /nfs/dbraw/zinc/30/48/05/983304805.db2.gz YGSDJGYJYNWGHD-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc2ncn(C)c21 ZINC001242072536 983309068 /nfs/dbraw/zinc/30/90/68/983309068.db2.gz KUCDAFSNMFBUFD-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cc2c(nn1)OCCO2 ZINC001242072581 983311493 /nfs/dbraw/zinc/31/14/93/983311493.db2.gz MPPDAJOQKNRBOY-UHFFFAOYSA-N 1 2 244.254 1.200 20 0 BDADLO COCc1nccnc1-c1c[nH+]c(N)cc1C ZINC001242072864 983311554 /nfs/dbraw/zinc/31/15/54/983311554.db2.gz SDVLDELZUIUMAG-UHFFFAOYSA-N 1 2 230.271 1.576 20 0 BDADLO CCn1ccc(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC001200704680 983324720 /nfs/dbraw/zinc/32/47/20/983324720.db2.gz VORVPOIGZIHAEK-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccn2ccnc12 ZINC001242090436 983335802 /nfs/dbraw/zinc/33/58/02/983335802.db2.gz STTBCFLWZAZEKX-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnn2cccc12 ZINC001242090956 983337695 /nfs/dbraw/zinc/33/76/95/983337695.db2.gz YHOVZJAUTHIRDD-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CCOc1cnc(-c2c[nH+]c(N)cc2C)cn1 ZINC001242095414 983339187 /nfs/dbraw/zinc/33/91/87/983339187.db2.gz GZSMVAXYXWCHFY-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO CC[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001201581954 983347295 /nfs/dbraw/zinc/34/72/95/983347295.db2.gz WHJVOIITHMKLIJ-UHFFFAOYSA-N 1 2 249.314 1.289 20 0 BDADLO CC[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001201581954 983347303 /nfs/dbraw/zinc/34/73/03/983347303.db2.gz WHJVOIITHMKLIJ-UHFFFAOYSA-N 1 2 249.314 1.289 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC001355113421 983418717 /nfs/dbraw/zinc/41/87/17/983418717.db2.gz AQRSXJICSPFVPM-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cccc(=O)[nH]2)o1 ZINC001355301815 983464424 /nfs/dbraw/zinc/46/44/24/983464424.db2.gz LJQWAYWLSHITNQ-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cccc(=O)[nH]2)o1 ZINC001355301815 983464427 /nfs/dbraw/zinc/46/44/27/983464427.db2.gz LJQWAYWLSHITNQ-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cn1cc(Cl)c(C[NH2+]C2CC(F)(F)C2)n1 ZINC001202010490 983529946 /nfs/dbraw/zinc/52/99/46/983529946.db2.gz OIGBPGATGMVKDQ-UHFFFAOYSA-N 1 2 235.665 1.961 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC001252107726 983658886 /nfs/dbraw/zinc/65/88/86/983658886.db2.gz IKJYNYIWBFYNPZ-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO COCCOC1C[NH+](CCCC(F)(F)F)C1 ZINC001202445314 983662407 /nfs/dbraw/zinc/66/24/07/983662407.db2.gz WLQAWIMUWMHMPJ-UHFFFAOYSA-N 1 2 241.253 1.676 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC001252108160 983667421 /nfs/dbraw/zinc/66/74/21/983667421.db2.gz LPLWOMJRJIAVPW-GHMZBOCLSA-N 1 2 229.320 1.079 20 0 BDADLO CCCC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001252108692 983682455 /nfs/dbraw/zinc/68/24/55/983682455.db2.gz RBHHXUDZBMNUAZ-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)CC1(C)CC1 ZINC001488643756 983686752 /nfs/dbraw/zinc/68/67/52/983686752.db2.gz LECPPURLIDIPNX-LLVKDONJSA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)CC1(C)CC1 ZINC001488643756 983686760 /nfs/dbraw/zinc/68/67/60/983686760.db2.gz LECPPURLIDIPNX-LLVKDONJSA-N 1 2 242.338 1.679 20 0 BDADLO CC(C)(O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001252356301 983745623 /nfs/dbraw/zinc/74/56/23/983745623.db2.gz XDMDBUMRKGSGGA-LBPRGKRZSA-N 1 2 236.315 1.226 20 0 BDADLO CC(C)(O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001252356301 983745628 /nfs/dbraw/zinc/74/56/28/983745628.db2.gz XDMDBUMRKGSGGA-LBPRGKRZSA-N 1 2 236.315 1.226 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC001357818289 983783387 /nfs/dbraw/zinc/78/33/87/983783387.db2.gz DKIZKZMNUMVSMA-QWRGUYRKSA-N 1 2 238.287 1.278 20 0 BDADLO Cc1nc(CNC(=O)[C@H](C)n2cc[nH+]c2)oc1C ZINC000049215886 983800776 /nfs/dbraw/zinc/80/07/76/983800776.db2.gz OBULXALAMWIQHF-VIFPVBQESA-N 1 2 248.286 1.365 20 0 BDADLO CN(C)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001242527207 983849189 /nfs/dbraw/zinc/84/91/89/983849189.db2.gz WAQDJHMMJLERIM-UHFFFAOYSA-N 1 2 214.272 1.792 20 0 BDADLO CCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252777624 983880634 /nfs/dbraw/zinc/88/06/34/983880634.db2.gz CRYKFICWOYVXPX-GUBZILKMSA-N 1 2 207.264 1.529 20 0 BDADLO CCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252777624 983880636 /nfs/dbraw/zinc/88/06/36/983880636.db2.gz CRYKFICWOYVXPX-GUBZILKMSA-N 1 2 207.264 1.529 20 0 BDADLO CCNC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001202538524 983910002 /nfs/dbraw/zinc/91/00/02/983910002.db2.gz OWYINBMILLYSKL-UHFFFAOYSA-N 1 2 205.261 1.134 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001137081754 983924238 /nfs/dbraw/zinc/92/42/38/983924238.db2.gz QBHZQOFZLBOVAB-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001137081754 983924242 /nfs/dbraw/zinc/92/42/42/983924242.db2.gz QBHZQOFZLBOVAB-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO Cc1nn(C)cc1C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001202554482 984049041 /nfs/dbraw/zinc/04/90/41/984049041.db2.gz HQYFKTLGPCDKEA-UHFFFAOYSA-N 1 2 248.334 1.260 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NC[C@]1(C)CCCS1 ZINC001545722996 984128281 /nfs/dbraw/zinc/12/82/81/984128281.db2.gz JFFYUGFJYWSEOB-JQWIXIFHSA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NC[C@]1(C)CCCS1 ZINC001545722996 984128287 /nfs/dbraw/zinc/12/82/87/984128287.db2.gz JFFYUGFJYWSEOB-JQWIXIFHSA-N 1 2 242.388 1.483 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc[nH]2)CCC1=O ZINC001204008606 984160504 /nfs/dbraw/zinc/16/05/04/984160504.db2.gz JVYARQTUPFAMEQ-UHFFFAOYSA-N 1 2 206.289 1.816 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc[nH]2)CCC1=O ZINC001204008606 984160511 /nfs/dbraw/zinc/16/05/11/984160511.db2.gz JVYARQTUPFAMEQ-UHFFFAOYSA-N 1 2 206.289 1.816 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC001440734303 984430474 /nfs/dbraw/zinc/43/04/74/984430474.db2.gz ALWMHVCIBLFCDX-NSHDSACASA-N 1 2 240.253 1.998 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC001440734303 984430496 /nfs/dbraw/zinc/43/04/96/984430496.db2.gz ALWMHVCIBLFCDX-NSHDSACASA-N 1 2 240.253 1.998 20 0 BDADLO COCCOc1cc(-c2c[nH+]cn2C)ccn1 ZINC001243069345 984486500 /nfs/dbraw/zinc/48/65/00/984486500.db2.gz FUHCVXONWQSUPL-UHFFFAOYSA-N 1 2 233.271 1.507 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)COC2=O ZINC001243069460 984490304 /nfs/dbraw/zinc/49/03/04/984490304.db2.gz RRDGVTVWRAAJKF-UHFFFAOYSA-N 1 2 214.224 1.758 20 0 BDADLO C=C/C=C/CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001444453135 984554202 /nfs/dbraw/zinc/55/42/02/984554202.db2.gz DLNTWUJHSYJHMH-ITKZLYELSA-N 1 2 233.315 1.768 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCNc1ccccc1 ZINC001444669930 984567752 /nfs/dbraw/zinc/56/77/52/984567752.db2.gz NMEGACBGTDKFHO-UHFFFAOYSA-N 1 2 244.298 1.181 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@H]1C ZINC001445432383 984595483 /nfs/dbraw/zinc/59/54/83/984595483.db2.gz RZZHMCSQUWIIAE-PSASIEDQSA-N 1 2 221.304 1.518 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC3(CCC3)C2)c[nH+]1 ZINC001445864746 984619501 /nfs/dbraw/zinc/61/95/01/984619501.db2.gz PEPVMHYENDKUAV-UHFFFAOYSA-N 1 2 247.342 1.939 20 0 BDADLO COc1ccc(CO)cc1-c1cc[nH+]c(N)c1 ZINC001243172387 984635897 /nfs/dbraw/zinc/63/58/97/984635897.db2.gz RRZZMGYQCSSHHD-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO CN1CCC12C[NH+](Cc1ccc(O)cc1)C2 ZINC001275892717 984722460 /nfs/dbraw/zinc/72/24/60/984722460.db2.gz WAXOQQHTFGPVPY-UHFFFAOYSA-N 1 2 218.300 1.282 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H](C)C1 ZINC001447851399 984795839 /nfs/dbraw/zinc/79/58/39/984795839.db2.gz XGZQSCASDHGOGK-SNVBAGLBSA-N 1 2 235.331 1.909 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)Cc2ccncc2)CC1=O ZINC001256744954 984805225 /nfs/dbraw/zinc/80/52/25/984805225.db2.gz CUPOTJODQWAZLL-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)Cc2ccncc2)CC1=O ZINC001256744954 984805226 /nfs/dbraw/zinc/80/52/26/984805226.db2.gz CUPOTJODQWAZLL-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CN1CCC12C[NH+](Cc1c[nH]c3cccnc13)C2 ZINC001276040033 984806324 /nfs/dbraw/zinc/80/63/24/984806324.db2.gz GVCYXKSRNZKLEF-UHFFFAOYSA-N 1 2 242.326 1.453 20 0 BDADLO O=C(/C=C/c1ccco1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001449966165 984851778 /nfs/dbraw/zinc/85/17/78/984851778.db2.gz DXJHEAIAVSCWIF-HMDXOVGESA-N 1 2 243.266 1.230 20 0 BDADLO C=C/C=C\CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001449961633 984854188 /nfs/dbraw/zinc/85/41/88/984854188.db2.gz AROJSOGWBVBYOE-UMBAGQNISA-N 1 2 217.272 1.056 20 0 BDADLO Cc1ncc(CNC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001451189513 984884805 /nfs/dbraw/zinc/88/48/05/984884805.db2.gz AUIUUHUIXBMDCM-MRVPVSSYSA-N 1 2 234.259 1.057 20 0 BDADLO COC(=O)Cc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243473470 985020763 /nfs/dbraw/zinc/02/07/63/985020763.db2.gz LPSCYQBSNFDUJD-UHFFFAOYSA-N 1 2 243.266 1.441 20 0 BDADLO CN1Cc2c(cccc2-c2ccc[nH+]c2N)C1=O ZINC001243473536 985022649 /nfs/dbraw/zinc/02/26/49/985022649.db2.gz CCRWSWQVQUIRJV-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO CN(C)c1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243474331 985023225 /nfs/dbraw/zinc/02/32/25/985023225.db2.gz KUEUURBLRRKWDA-UHFFFAOYSA-N 1 2 214.272 1.792 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2nc(F)ccc21 ZINC001454157216 985025128 /nfs/dbraw/zinc/02/51/28/985025128.db2.gz IEPYCJKSILABAP-LLVKDONJSA-N 1 2 249.289 1.204 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2nc(F)ccc21 ZINC001454157216 985025140 /nfs/dbraw/zinc/02/51/40/985025140.db2.gz IEPYCJKSILABAP-LLVKDONJSA-N 1 2 249.289 1.204 20 0 BDADLO CC[C@@H](C)[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001257444470 985030349 /nfs/dbraw/zinc/03/03/49/985030349.db2.gz VSQADLSRYNZMOY-ZJUUUORDSA-N 1 2 249.351 1.244 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnn(C)c1C1CC1 ZINC001454521576 985037234 /nfs/dbraw/zinc/03/72/34/985037234.db2.gz GJZISLQMRAKPCO-NSHDSACASA-N 1 2 248.330 1.330 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnn(C)c1C1CC1 ZINC001454521576 985037245 /nfs/dbraw/zinc/03/72/45/985037245.db2.gz GJZISLQMRAKPCO-NSHDSACASA-N 1 2 248.330 1.330 20 0 BDADLO C/C=C(\C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456143914 985116778 /nfs/dbraw/zinc/11/67/78/985116778.db2.gz UNYNKVWQCGBZIK-XBXARRHUSA-N 1 2 207.277 1.555 20 0 BDADLO CC=C(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456143914 985116784 /nfs/dbraw/zinc/11/67/84/985116784.db2.gz UNYNKVWQCGBZIK-XBXARRHUSA-N 1 2 207.277 1.555 20 0 BDADLO Fc1nccnc1NCCNc1cccc[nH+]1 ZINC001458066052 985263163 /nfs/dbraw/zinc/26/31/63/985263163.db2.gz BSSYWHRLLRLTTR-UHFFFAOYSA-N 1 2 233.250 1.535 20 0 BDADLO CNc1cc(-c2cccc(=O)[nH]2)cc[nH+]1 ZINC001243734813 985265824 /nfs/dbraw/zinc/26/58/24/985265824.db2.gz MJBLCSHKEOFIOO-UHFFFAOYSA-N 1 2 201.229 1.891 20 0 BDADLO CCc1cn(CCCN2CCOC2=O)c[nH+]1 ZINC001459258974 985417369 /nfs/dbraw/zinc/41/73/69/985417369.db2.gz GKGKNBXUOYYOHP-UHFFFAOYSA-N 1 2 223.276 1.288 20 0 BDADLO CC(C)Oc1cnc(C2=C[NH2+]CCC2)cn1 ZINC001243947229 985620100 /nfs/dbraw/zinc/62/01/00/985620100.db2.gz FUEQQOAYOWRJHS-UHFFFAOYSA-N 1 2 219.288 1.988 20 0 BDADLO CCOC(=O)c1cccc(C2=C[NH2+]CCC2)n1 ZINC001243946930 985620861 /nfs/dbraw/zinc/62/08/61/985620861.db2.gz BOIDZIWAOLATIJ-UHFFFAOYSA-N 1 2 232.283 1.983 20 0 BDADLO CC(C)Oc1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243947325 985624395 /nfs/dbraw/zinc/62/43/95/985624395.db2.gz HEZCXSFDQRKDFD-UHFFFAOYSA-N 1 2 219.288 1.988 20 0 BDADLO Cn1cnc2ncnc(C3=C[NH2+]CCC3)c21 ZINC001243947944 985629525 /nfs/dbraw/zinc/62/95/25/985629525.db2.gz SLAZOKLGAPYXCO-UHFFFAOYSA-N 1 2 215.260 1.088 20 0 BDADLO CSc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243948873 985634585 /nfs/dbraw/zinc/63/45/85/985634585.db2.gz NOHIBDJMZLFAOF-UHFFFAOYSA-N 1 2 207.302 1.923 20 0 BDADLO COc1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1N ZINC001579161258 985816235 /nfs/dbraw/zinc/81/62/35/985816235.db2.gz PLSPLSVBULDRCR-UHFFFAOYSA-N 1 2 246.270 1.182 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](C)C[C@@H](CO)C2)no1 ZINC001460267857 985827614 /nfs/dbraw/zinc/82/76/14/985827614.db2.gz SVPNXYYNXKDWGT-WCABBAIRSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H](C)C[C@@H](CO)C2)no1 ZINC001460267857 985827618 /nfs/dbraw/zinc/82/76/18/985827618.db2.gz SVPNXYYNXKDWGT-WCABBAIRSA-N 1 2 239.319 1.389 20 0 BDADLO CC[C@@H](C[N@@H+]1CCn2nccc2C1)OC ZINC001460507060 985856433 /nfs/dbraw/zinc/85/64/33/985856433.db2.gz BDXJUTWDQSPQKB-NSHDSACASA-N 1 2 209.293 1.124 20 0 BDADLO CC[C@@H](C[N@H+]1CCn2nccc2C1)OC ZINC001460507060 985856439 /nfs/dbraw/zinc/85/64/39/985856439.db2.gz BDXJUTWDQSPQKB-NSHDSACASA-N 1 2 209.293 1.124 20 0 BDADLO COC(=O)CC1(C[N@H+](C)Cc2ncccn2)CC1 ZINC001460685397 985873044 /nfs/dbraw/zinc/87/30/44/985873044.db2.gz GLQNPTYOCOJYBN-UHFFFAOYSA-N 1 2 249.314 1.252 20 0 BDADLO COC(=O)CC1(C[N@@H+](C)Cc2ncccn2)CC1 ZINC001460685397 985873051 /nfs/dbraw/zinc/87/30/51/985873051.db2.gz GLQNPTYOCOJYBN-UHFFFAOYSA-N 1 2 249.314 1.252 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccncn2)c[nH+]1 ZINC001460887729 985919209 /nfs/dbraw/zinc/91/92/09/985919209.db2.gz CJBXKHTZEDMPEX-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccs1 ZINC001461099783 986008364 /nfs/dbraw/zinc/00/83/64/986008364.db2.gz HUOYTJVBVABIAK-WCQYABFASA-N 1 2 246.335 1.891 20 0 BDADLO CCn1c[nH+]cc1CNc1csnc1OC ZINC001461730016 986134734 /nfs/dbraw/zinc/13/47/34/986134734.db2.gz UQWFCBXGZZWVLT-UHFFFAOYSA-N 1 2 238.316 1.980 20 0 BDADLO Cc1ccc(CC[NH2+]CC(F)(F)CN)cc1 ZINC001579688109 986177029 /nfs/dbraw/zinc/17/70/29/986177029.db2.gz SHRIFRKDLODYPF-UHFFFAOYSA-N 1 2 228.286 1.721 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC001258811008 986269710 /nfs/dbraw/zinc/26/97/10/986269710.db2.gz UDPQQXIJDJASLT-WHOHXGKFSA-N 1 2 243.347 1.467 20 0 BDADLO CCn1nncc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC001462075904 986275566 /nfs/dbraw/zinc/27/55/66/986275566.db2.gz XYTJANGNKVYCHV-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1nncc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC001462075904 986275574 /nfs/dbraw/zinc/27/55/74/986275574.db2.gz XYTJANGNKVYCHV-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2nccn21 ZINC001462087911 986282206 /nfs/dbraw/zinc/28/22/06/986282206.db2.gz YAKSFNFIJAJYPC-XLPZGREQSA-N 1 2 249.236 1.402 20 0 BDADLO CNC(=O)c1ccc(-c2ccc[nH+]c2N)c(F)c1 ZINC001244662643 986297451 /nfs/dbraw/zinc/29/74/51/986297451.db2.gz OLXWPVAHKJTALC-UHFFFAOYSA-N 1 2 245.257 1.830 20 0 BDADLO COc1cc[nH+]cc1NC[C@H](O)C(C)(C)C ZINC001253718863 986337814 /nfs/dbraw/zinc/33/78/14/986337814.db2.gz XPUKFGQOFIDBCL-NSHDSACASA-N 1 2 224.304 1.909 20 0 BDADLO c1nc(C2CC2)ncc1C[NH+]1CC2(C1)CCOC2 ZINC001462297150 986341966 /nfs/dbraw/zinc/34/19/66/986341966.db2.gz PYHSGBGTZNOXJC-UHFFFAOYSA-N 1 2 245.326 1.576 20 0 BDADLO CCCn1c[nH+]cc1CN[C@@H](C)c1noc(C)n1 ZINC001462290812 986342302 /nfs/dbraw/zinc/34/23/02/986342302.db2.gz NAUMZMQGLPXADU-VIFPVBQESA-N 1 2 249.318 1.835 20 0 BDADLO CC(C)[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001253756913 986379677 /nfs/dbraw/zinc/37/96/77/986379677.db2.gz LGVQTZFDUINYGF-MWLCHTKSSA-N 1 2 224.304 1.564 20 0 BDADLO CCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096308120 986387240 /nfs/dbraw/zinc/38/72/40/986387240.db2.gz XEDQHBOZOWQQHA-NSHDSACASA-N 1 2 248.330 1.280 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)C)[C@@H](C)CC ZINC001253781917 986416297 /nfs/dbraw/zinc/41/62/97/986416297.db2.gz LEYOGZVQPBDCMD-TUAOUCFPSA-N 1 2 245.363 1.571 20 0 BDADLO CC(C)SCC[NH+]1CC2(C1)CCNC(=O)O2 ZINC001462632541 986463786 /nfs/dbraw/zinc/46/37/86/986463786.db2.gz JZCMMMLRZWLBRA-UHFFFAOYSA-N 1 2 244.360 1.312 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccn(C)n2)c1 ZINC001462653425 986490427 /nfs/dbraw/zinc/49/04/27/986490427.db2.gz KGSNGYWIGHZOGU-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccn(C)n2)c1 ZINC001462653425 986490441 /nfs/dbraw/zinc/49/04/41/986490441.db2.gz KGSNGYWIGHZOGU-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO CCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096986515 986530685 /nfs/dbraw/zinc/53/06/85/986530685.db2.gz MKFBAKYFGQCKTR-XYPYZODXSA-N 1 2 248.330 1.644 20 0 BDADLO CC(=O)OC1C[NH+](C2CCC(F)(F)CC2)C1 ZINC001254223040 986548310 /nfs/dbraw/zinc/54/83/10/986548310.db2.gz IJEYVKPKHGDVIP-UHFFFAOYSA-N 1 2 233.258 1.812 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnn(CCO)c1 ZINC001206570991 986552463 /nfs/dbraw/zinc/55/24/63/986552463.db2.gz TZKZYFKNXOOOSO-UHFFFAOYSA-N 1 2 246.314 1.312 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H]2C)c(OC)n1 ZINC001139230318 986573754 /nfs/dbraw/zinc/57/37/54/986573754.db2.gz BLXIOWTUXLOWOE-QMMMGPOBSA-N 1 2 223.276 1.088 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H]2C)c(OC)n1 ZINC001139230318 986573767 /nfs/dbraw/zinc/57/37/67/986573767.db2.gz BLXIOWTUXLOWOE-QMMMGPOBSA-N 1 2 223.276 1.088 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC001463970519 986592014 /nfs/dbraw/zinc/59/20/14/986592014.db2.gz ZKYQGXAMFTVPQJ-LBPRGKRZSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC001463970519 986592042 /nfs/dbraw/zinc/59/20/42/986592042.db2.gz ZKYQGXAMFTVPQJ-LBPRGKRZSA-N 1 2 244.298 1.596 20 0 BDADLO CN(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001463984098 986598825 /nfs/dbraw/zinc/59/88/25/986598825.db2.gz HGMSQXZFERXLNO-UHFFFAOYSA-N 1 2 229.283 1.503 20 0 BDADLO c1ccc([C@@H]2C[N@H+]([C@H]3CCCOC3)CCO2)nc1 ZINC001254382872 986601954 /nfs/dbraw/zinc/60/19/54/986601954.db2.gz REPLVNYNAFPGTM-JSGCOSHPSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)nc1 ZINC001254382872 986601963 /nfs/dbraw/zinc/60/19/63/986601963.db2.gz REPLVNYNAFPGTM-JSGCOSHPSA-N 1 2 248.326 1.634 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ncc(Cl)s1 ZINC001465102990 986691079 /nfs/dbraw/zinc/69/10/79/986691079.db2.gz XRGTYNNDNSIUIK-UHFFFAOYSA-N 1 2 242.691 1.701 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCSC[C@@H]1C ZINC001465377020 986713173 /nfs/dbraw/zinc/71/31/73/986713173.db2.gz YVYOJWPVEYWDCV-QMMMGPOBSA-N 1 2 239.344 1.225 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC=CO1 ZINC001465604145 986726686 /nfs/dbraw/zinc/72/66/86/986726686.db2.gz BXORMGGJGJJXRQ-SNVBAGLBSA-N 1 2 221.260 1.027 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCC34COC4)n2c1 ZINC001137309065 986743409 /nfs/dbraw/zinc/74/34/09/986743409.db2.gz XRLKEOFZWPJBLQ-UHFFFAOYSA-N 1 2 243.310 1.617 20 0 BDADLO O=C1C[C@H]2C[C@H]([NH+]3C[C@@H](F)[C@H](F)C3)C[C@H]2C1 ZINC001254944673 986751966 /nfs/dbraw/zinc/75/19/66/986751966.db2.gz CTPUMARSKAAWRZ-ACJPCYBHSA-N 1 2 229.270 1.736 20 0 BDADLO CCOC1C[NH+](Cc2[nH]c(C)cc2C)C1 ZINC001137323163 986765916 /nfs/dbraw/zinc/76/59/16/986765916.db2.gz ZVCQAHWWYRHCJV-UHFFFAOYSA-N 1 2 208.305 1.852 20 0 BDADLO CC(=O)N1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137323882 986776240 /nfs/dbraw/zinc/77/62/40/986776240.db2.gz BBTDXFIRGWORKU-UHFFFAOYSA-N 1 2 235.331 1.296 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)[nH]1 ZINC001137333425 986797687 /nfs/dbraw/zinc/79/76/87/986797687.db2.gz GPHKVXDNKUYPOM-TXEJJXNPSA-N 1 2 248.326 1.279 20 0 BDADLO Cc1cc(C)c(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)[nH]1 ZINC001137333425 986797698 /nfs/dbraw/zinc/79/76/98/986797698.db2.gz GPHKVXDNKUYPOM-TXEJJXNPSA-N 1 2 248.326 1.279 20 0 BDADLO c1cc(-c2ccc(Cn3cc[nH+]c3)cn2)n[nH]1 ZINC001245314205 986804356 /nfs/dbraw/zinc/80/43/56/986804356.db2.gz QXWDMZJKSCTKAH-UHFFFAOYSA-N 1 2 225.255 1.717 20 0 BDADLO C[N@H+](Cc1[nH]nc2ccccc21)C1(C)COC1 ZINC001137349810 986814099 /nfs/dbraw/zinc/81/40/99/986814099.db2.gz MCWLQXSPQKYDRE-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO C[N@@H+](Cc1[nH]nc2ccccc21)C1(C)COC1 ZINC001137349810 986814101 /nfs/dbraw/zinc/81/41/01/986814101.db2.gz MCWLQXSPQKYDRE-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccnc2Cl)CC[C@H]1F ZINC001137420929 986891392 /nfs/dbraw/zinc/89/13/92/986891392.db2.gz CQNXRWPNFFQJHO-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@H]1F ZINC001137420929 986891397 /nfs/dbraw/zinc/89/13/97/986891397.db2.gz CQNXRWPNFFQJHO-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C=CCCC1 ZINC001328169475 986904056 /nfs/dbraw/zinc/90/40/56/986904056.db2.gz BBWXTCAWKVEOSZ-QJPTWQEYSA-N 1 2 245.326 1.749 20 0 BDADLO Cc1cc(-c2cnc3nccn3c2)c[nH+]c1N ZINC001245536888 986913794 /nfs/dbraw/zinc/91/37/94/986913794.db2.gz NVNUSNBCFVRGPT-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO COc1cc(-c2c[nH+]c(N)c(C)c2)nc(OC)n1 ZINC001245537020 986913961 /nfs/dbraw/zinc/91/39/61/986913961.db2.gz VWLUCOGPUXXKSX-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nc2F)C[C@H]1O ZINC001137470740 986916506 /nfs/dbraw/zinc/91/65/06/986916506.db2.gz JBYXIRJUXNWUJL-IONNQARKSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2F)C[C@H]1O ZINC001137470740 986916513 /nfs/dbraw/zinc/91/65/13/986916513.db2.gz JBYXIRJUXNWUJL-IONNQARKSA-N 1 2 244.697 1.687 20 0 BDADLO COC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245537043 986918992 /nfs/dbraw/zinc/91/89/92/986918992.db2.gz WQCNBOBEVINVSZ-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1cc(-c2cn(C(C)C)c(=O)cn2)c[nH+]c1N ZINC001245540787 986927746 /nfs/dbraw/zinc/92/77/46/986927746.db2.gz WKSJYKRPQLJCJD-UHFFFAOYSA-N 1 2 244.298 1.777 20 0 BDADLO Cc1cc(-c2ccnn(C(C)C)c2=O)c[nH+]c1N ZINC001245540916 986930223 /nfs/dbraw/zinc/93/02/23/986930223.db2.gz ZVHCCNUDCGJAMP-UHFFFAOYSA-N 1 2 244.298 1.777 20 0 BDADLO C[C@H](CC(F)(F)F)N1CC[NH2+]CC(F)(F)C1 ZINC001255645745 987041182 /nfs/dbraw/zinc/04/11/82/987041182.db2.gz IEFZHADHQXXODW-SSDOTTSWSA-N 1 2 246.223 1.868 20 0 BDADLO C[NH+](C)CCN1N=C(c2ccc(F)cc2)CC1=O ZINC001245917863 987148758 /nfs/dbraw/zinc/14/87/58/987148758.db2.gz LNYWFXYWKYNQCC-UHFFFAOYSA-N 1 2 249.289 1.956 20 0 BDADLO C[NH+](C)CCn1[nH]c(-c2ccc(F)cc2)cc1=O ZINC001245917863 987148767 /nfs/dbraw/zinc/14/87/67/987148767.db2.gz LNYWFXYWKYNQCC-UHFFFAOYSA-N 1 2 249.289 1.956 20 0 BDADLO CCc1[nH]c(CNC(=O)C=Cc2ccco2)c[nH+]1 ZINC001472019308 987156337 /nfs/dbraw/zinc/15/63/37/987156337.db2.gz YMRBGKHFOPTZQD-WAYWQWQTSA-N 1 2 245.282 1.895 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=Cc2ccco2)[nH+]1 ZINC001472019308 987156346 /nfs/dbraw/zinc/15/63/46/987156346.db2.gz YMRBGKHFOPTZQD-WAYWQWQTSA-N 1 2 245.282 1.895 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@@H](C)OC)c[nH+]1 ZINC001472018687 987156552 /nfs/dbraw/zinc/15/65/52/987156552.db2.gz JOOGGIOOOGIWLW-MRVPVSSYSA-N 1 2 225.292 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@@H](C)OC)[nH+]1 ZINC001472018687 987156564 /nfs/dbraw/zinc/15/65/64/987156564.db2.gz JOOGGIOOOGIWLW-MRVPVSSYSA-N 1 2 225.292 1.013 20 0 BDADLO CCc1[nH]c(CNC(=O)c2conc2CC)c[nH+]1 ZINC001472020939 987158396 /nfs/dbraw/zinc/15/83/96/987158396.db2.gz MSUYLRUSRPBZPQ-UHFFFAOYSA-N 1 2 248.286 1.453 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2conc2CC)[nH+]1 ZINC001472020939 987158408 /nfs/dbraw/zinc/15/84/08/987158408.db2.gz MSUYLRUSRPBZPQ-UHFFFAOYSA-N 1 2 248.286 1.453 20 0 BDADLO C[C@H](n1[nH]c(C2C[NH2+]C2)cc1=O)C(F)(F)F ZINC001245926475 987179919 /nfs/dbraw/zinc/17/99/19/987179919.db2.gz BIRRWCXAXAAWFO-YFKPBYRVSA-N 1 2 235.209 1.399 20 0 BDADLO C[C@H]1CCC[C@H]1n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245927371 987180986 /nfs/dbraw/zinc/18/09/86/987180986.db2.gz PLSNREJDUQOMDH-GZMMTYOYSA-N 1 2 221.304 1.637 20 0 BDADLO CCC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001102957460 987227470 /nfs/dbraw/zinc/22/74/70/987227470.db2.gz CKFZYFRFMNTCCI-JTQLQIEISA-N 1 2 236.319 1.502 20 0 BDADLO CC(=O)NC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC001103388027 987239444 /nfs/dbraw/zinc/23/94/44/987239444.db2.gz YMQQBIRAWPCLJU-UHFFFAOYSA-N 1 2 248.330 1.646 20 0 BDADLO Cc1nc(NC[C@H](C)CNC(=O)C2CC2)cc[nH+]1 ZINC001103838868 987256656 /nfs/dbraw/zinc/25/66/56/987256656.db2.gz PPHJFVJZVBQSTF-VIFPVBQESA-N 1 2 248.330 1.359 20 0 BDADLO CCc1cn(CCc2ccc(C(N)=O)cc2)c[nH+]1 ZINC001473086920 987328257 /nfs/dbraw/zinc/32/82/57/987328257.db2.gz DNCRRPXZYYUAQA-UHFFFAOYSA-N 1 2 243.310 1.787 20 0 BDADLO CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115619471 987398432 /nfs/dbraw/zinc/39/84/32/987398432.db2.gz QJLBGXHTSCOJBC-MRVPVSSYSA-N 1 2 222.292 1.064 20 0 BDADLO CCC[N@@H+]1CCCC[C@H]1C(=O)OCC(C)=O ZINC001116119980 987449919 /nfs/dbraw/zinc/44/99/19/987449919.db2.gz QYJPNJXACSJYLV-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CCC[N@H+]1CCCC[C@H]1C(=O)OCC(C)=O ZINC001116119980 987449927 /nfs/dbraw/zinc/44/99/27/987449927.db2.gz QYJPNJXACSJYLV-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CCC[C@](C)(O)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116156362 987459490 /nfs/dbraw/zinc/45/94/90/987459490.db2.gz AJJHEQBZRGHXFY-JQWIXIFHSA-N 1 2 239.319 1.111 20 0 BDADLO CC[C@](COC)([NH2+]CCCCCF)C(=O)OC ZINC001473529713 987467591 /nfs/dbraw/zinc/46/75/91/987467591.db2.gz OJWRFZJACHHLDR-GFCCVEGCSA-N 1 2 249.326 1.684 20 0 BDADLO C[C@@H](O)[C@@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585443 987493637 /nfs/dbraw/zinc/49/36/37/987493637.db2.gz YDXJGYUNWHPMLP-HTQZYQBOSA-N 1 2 241.722 1.257 20 0 BDADLO C[C@@H](O)[C@@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585443 987493639 /nfs/dbraw/zinc/49/36/39/987493639.db2.gz YDXJGYUNWHPMLP-HTQZYQBOSA-N 1 2 241.722 1.257 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H]3CCCC[C@H]32)[nH]1 ZINC001473614504 987500566 /nfs/dbraw/zinc/50/05/66/987500566.db2.gz CBRJVDHXEWGRKB-NXEZZACHSA-N 1 2 206.293 1.488 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H]3CCCC[C@H]32)[nH]1 ZINC001473614504 987500579 /nfs/dbraw/zinc/50/05/79/987500579.db2.gz CBRJVDHXEWGRKB-NXEZZACHSA-N 1 2 206.293 1.488 20 0 BDADLO C[C@H](O)CCC[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473797450 987568280 /nfs/dbraw/zinc/56/82/80/987568280.db2.gz POUIVWDLXVLALM-QWRGUYRKSA-N 1 2 237.347 1.565 20 0 BDADLO C[C@H](O)CCC[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473797450 987568299 /nfs/dbraw/zinc/56/82/99/987568299.db2.gz POUIVWDLXVLALM-QWRGUYRKSA-N 1 2 237.347 1.565 20 0 BDADLO COCC[N@@H+](Cc1cc(C)[nH]n1)CC(C)C ZINC001116440603 987570960 /nfs/dbraw/zinc/57/09/60/987570960.db2.gz VZCACCMJQKEBTR-UHFFFAOYSA-N 1 2 225.336 1.823 20 0 BDADLO COCC[N@H+](Cc1cc(C)[nH]n1)CC(C)C ZINC001116440603 987570970 /nfs/dbraw/zinc/57/09/70/987570970.db2.gz VZCACCMJQKEBTR-UHFFFAOYSA-N 1 2 225.336 1.823 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@](C)(CO)C2)n[nH]1 ZINC001116443623 987576046 /nfs/dbraw/zinc/57/60/46/987576046.db2.gz DKDWHHIIEOSOAG-LBPRGKRZSA-N 1 2 223.320 1.313 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@](C)(CO)C2)n[nH]1 ZINC001116443623 987576056 /nfs/dbraw/zinc/57/60/56/987576056.db2.gz DKDWHHIIEOSOAG-LBPRGKRZSA-N 1 2 223.320 1.313 20 0 BDADLO C[C@@]12CSC[C@@H]1C[N@H+](Cc1csnn1)C2 ZINC001473861749 987593547 /nfs/dbraw/zinc/59/35/47/987593547.db2.gz KCFDNZYQIPUMTO-WCBMZHEXSA-N 1 2 241.385 1.723 20 0 BDADLO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1csnn1)C2 ZINC001473861749 987593554 /nfs/dbraw/zinc/59/35/54/987593554.db2.gz KCFDNZYQIPUMTO-WCBMZHEXSA-N 1 2 241.385 1.723 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC[C@@]23CCOC3)[nH]1 ZINC001473895843 987606636 /nfs/dbraw/zinc/60/66/36/987606636.db2.gz XPIVBWLXLGXQFY-LBPRGKRZSA-N 1 2 236.319 1.258 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC[C@@]23CCOC3)[nH]1 ZINC001473895843 987606640 /nfs/dbraw/zinc/60/66/40/987606640.db2.gz XPIVBWLXLGXQFY-LBPRGKRZSA-N 1 2 236.319 1.258 20 0 BDADLO Cn1cc(Cn2cc[nH+]c2)c(C(F)F)n1 ZINC001116655459 987659458 /nfs/dbraw/zinc/65/94/58/987659458.db2.gz QHJRKHDKCLTPDG-UHFFFAOYSA-N 1 2 212.203 1.603 20 0 BDADLO Cc1cnn(C)c1C[NH+]1CC(c2nc(C)no2)C1 ZINC001474568181 987761366 /nfs/dbraw/zinc/76/13/66/987761366.db2.gz XBVUIWHVZAMQTE-UHFFFAOYSA-N 1 2 247.302 1.019 20 0 BDADLO Cc1cc(C[NH2+][C@@H](c2nncn2C)C(C)C)[nH]n1 ZINC001117110790 987782668 /nfs/dbraw/zinc/78/26/68/987782668.db2.gz WKXSWMCVAFBHEX-LLVKDONJSA-N 1 2 248.334 1.334 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cc3cnccc3o2)n1 ZINC001474654428 987792417 /nfs/dbraw/zinc/79/24/17/987792417.db2.gz XYNWRZUPPGKLIE-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO C[NH+](C)Cc1nnc(CC[C@H]2CCCO2)o1 ZINC001117260727 987812610 /nfs/dbraw/zinc/81/26/10/987812610.db2.gz SUYCIQCTQDGSOT-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO C[C@@H]1CCC[C@@H](N[C@H]2C[NH2+]CC2(F)F)C1 ZINC001246461419 987820569 /nfs/dbraw/zinc/82/05/69/987820569.db2.gz PRKTVJOBLPIJNR-BBBLOLIVSA-N 1 2 218.291 1.762 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CNCC2(F)F)C1 ZINC001246461419 987820571 /nfs/dbraw/zinc/82/05/71/987820571.db2.gz PRKTVJOBLPIJNR-BBBLOLIVSA-N 1 2 218.291 1.762 20 0 BDADLO O=C([C@H]1C[C@@H]1C(F)F)N1CCn2c[nH+]cc2C1 ZINC001117693591 987863883 /nfs/dbraw/zinc/86/38/83/987863883.db2.gz WCMXNUFTMNFTAQ-IUCAKERBSA-N 1 2 241.241 1.127 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001478482646 987876533 /nfs/dbraw/zinc/87/65/33/987876533.db2.gz MSWVMOPLAABNEE-OUAUKWLOSA-N 1 2 248.330 1.248 20 0 BDADLO COCC(C)(C)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001117767269 987897312 /nfs/dbraw/zinc/89/73/12/987897312.db2.gz IABNOXJDFWSHAT-SNVBAGLBSA-N 1 2 239.319 1.233 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC/C=C/C1CC1 ZINC001117788542 987913874 /nfs/dbraw/zinc/91/38/74/987913874.db2.gz YWSXXSHQNYYGAF-VUDBWIFFSA-N 1 2 248.330 1.537 20 0 BDADLO CO[C@H](C)CCc1nnc(C[NH+](C)C)o1 ZINC001118070962 988004290 /nfs/dbraw/zinc/00/42/90/988004290.db2.gz SKQXTRCEOYPSHM-MRVPVSSYSA-N 1 2 213.281 1.099 20 0 BDADLO CC(C)[NH2+]C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001321855047 988026929 /nfs/dbraw/zinc/02/69/29/988026929.db2.gz FJCURQCTTCEQGU-NKWVEPMBSA-N 1 2 244.232 1.390 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC001118098860 988023214 /nfs/dbraw/zinc/02/32/14/988023214.db2.gz BNCNQTKMXIFKCC-NBEYISGCSA-N 1 2 227.333 1.923 20 0 BDADLO CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001321855047 988026952 /nfs/dbraw/zinc/02/69/52/988026952.db2.gz FJCURQCTTCEQGU-NKWVEPMBSA-N 1 2 244.232 1.390 20 0 BDADLO C[C@H]([NH2+]Cc1nc(C2CC2)nn1C)c1cn[nH]c1 ZINC001118131410 988032034 /nfs/dbraw/zinc/03/20/34/988032034.db2.gz WHPPWCSJFWVLFV-QMMMGPOBSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@@H]1OCC[C@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001118257929 988158353 /nfs/dbraw/zinc/15/83/53/988158353.db2.gz JRIRJSYBBNIIBA-DTWKUNHWSA-N 1 2 234.259 1.207 20 0 BDADLO CCN(C(=O)C(C)(C)F)[C@H]1CC[N@H+](CCF)C1 ZINC001494871244 988195081 /nfs/dbraw/zinc/19/50/81/988195081.db2.gz FRJPFIIDMROLHV-JTQLQIEISA-N 1 2 248.317 1.627 20 0 BDADLO CCN(C(=O)C(C)(C)F)[C@H]1CC[N@@H+](CCF)C1 ZINC001494871244 988195097 /nfs/dbraw/zinc/19/50/97/988195097.db2.gz FRJPFIIDMROLHV-JTQLQIEISA-N 1 2 248.317 1.627 20 0 BDADLO COCCC[C@H](C)c1nnc(C[NH+](C)C)o1 ZINC001118360643 988248409 /nfs/dbraw/zinc/24/84/09/988248409.db2.gz LYTMVGONTNXOKD-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO C[NH+](C)Cc1nnc(CC[C@@H]2CCOC2)o1 ZINC001322400706 988250200 /nfs/dbraw/zinc/25/02/00/988250200.db2.gz WKFOVDNXTIZVIP-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO C[C@H](C(=O)Nc1ccc(F)nc1)n1cc[nH+]c1 ZINC001322655652 988354060 /nfs/dbraw/zinc/35/40/60/988354060.db2.gz DGSWCQMOTRPQJS-MRVPVSSYSA-N 1 2 234.234 1.617 20 0 BDADLO CCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)on1 ZINC001498207783 988469527 /nfs/dbraw/zinc/46/95/27/988469527.db2.gz WFISGLGHDMZQJV-VIFPVBQESA-N 1 2 239.319 1.330 20 0 BDADLO CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)on1 ZINC001498207783 988469528 /nfs/dbraw/zinc/46/95/28/988469528.db2.gz WFISGLGHDMZQJV-VIFPVBQESA-N 1 2 239.319 1.330 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CCSC2)n[nH]1 ZINC001323286034 988486561 /nfs/dbraw/zinc/48/65/61/988486561.db2.gz PFXPSJNNZJAJAQ-SNVBAGLBSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CCSC2)n[nH]1 ZINC001323286034 988486568 /nfs/dbraw/zinc/48/65/68/988486568.db2.gz PFXPSJNNZJAJAQ-SNVBAGLBSA-N 1 2 211.334 1.655 20 0 BDADLO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001499191557 988540978 /nfs/dbraw/zinc/54/09/78/988540978.db2.gz GYYKXIPOVZMYSS-XCVCLJGOSA-N 1 2 249.314 1.379 20 0 BDADLO Cc1coc(C(=O)N2CC[NH+](C)CC2)c1C ZINC001323502084 988542729 /nfs/dbraw/zinc/54/27/29/988542729.db2.gz UBJCYDMPJWIIAI-UHFFFAOYSA-N 1 2 222.288 1.284 20 0 BDADLO COC1(C[NH2+][C@@H](C)c2noc(C)n2)CCCC1 ZINC001324043553 988678370 /nfs/dbraw/zinc/67/83/70/988678370.db2.gz BCUFZFLGWFSLQC-VIFPVBQESA-N 1 2 239.319 1.988 20 0 BDADLO Cc1nc([C@H](C)NCc2[nH]c(C)c(C)[nH+]2)no1 ZINC001118943352 988722389 /nfs/dbraw/zinc/72/23/89/988722389.db2.gz KKXZDKODSVHBIC-QMMMGPOBSA-N 1 2 235.291 1.569 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001324290727 988783029 /nfs/dbraw/zinc/78/30/29/988783029.db2.gz GMAUULLEJTZOCG-OLZOCXBDSA-N 1 2 247.342 1.922 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@]12C[C@@H]1CCCC2 ZINC001119052327 988818591 /nfs/dbraw/zinc/81/85/91/988818591.db2.gz IGHOSEMAUCTTMY-SGMGOOAPSA-N 1 2 247.342 1.968 20 0 BDADLO CCOC(=O)C[N@H+](C)CCCC(=O)CC ZINC001324416844 988832856 /nfs/dbraw/zinc/83/28/56/988832856.db2.gz JQBNPVYIKKCIMZ-UHFFFAOYSA-N 1 2 215.293 1.241 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCCC(=O)CC ZINC001324416844 988832859 /nfs/dbraw/zinc/83/28/59/988832859.db2.gz JQBNPVYIKKCIMZ-UHFFFAOYSA-N 1 2 215.293 1.241 20 0 BDADLO c1[nH]cc(Cc2nc(-c3ccncc3)no2)[nH+]1 ZINC001247137411 988850404 /nfs/dbraw/zinc/85/04/04/988850404.db2.gz HJBKECWSRCXOIR-UHFFFAOYSA-N 1 2 227.227 1.446 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOCCC(C)C ZINC001331658595 988854783 /nfs/dbraw/zinc/85/47/83/988854783.db2.gz IKRPRUOCSMSQNG-NSHDSACASA-N 1 2 231.336 1.542 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOCCC(C)C ZINC001331658595 988854785 /nfs/dbraw/zinc/85/47/85/988854785.db2.gz IKRPRUOCSMSQNG-NSHDSACASA-N 1 2 231.336 1.542 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001119260607 988869776 /nfs/dbraw/zinc/86/97/76/988869776.db2.gz FWHAPABRWIWGDY-JTQLQIEISA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)OC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001119260607 988869777 /nfs/dbraw/zinc/86/97/77/988869777.db2.gz FWHAPABRWIWGDY-JTQLQIEISA-N 1 2 229.320 1.031 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](CC1CC1)C(=O)OC)OC ZINC001119302234 988906194 /nfs/dbraw/zinc/90/61/94/988906194.db2.gz OTHIFMOEHDTRNI-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCc2ccccn2)no1 ZINC001119307893 988922624 /nfs/dbraw/zinc/92/26/24/988922624.db2.gz FKCNWKVEYDZTKK-SECBINFHSA-N 1 2 232.287 1.666 20 0 BDADLO Cc1coc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC001324680338 988930735 /nfs/dbraw/zinc/93/07/35/988930735.db2.gz FZUKNPNTCMQQNT-JTQLQIEISA-N 1 2 247.298 1.911 20 0 BDADLO [NH3+][C@@H](CO)c1nc(-c2ccc(F)cc2F)no1 ZINC001247614274 988944780 /nfs/dbraw/zinc/94/47/80/988944780.db2.gz YNOUCTGJEOKGTA-QMMMGPOBSA-N 1 2 241.197 1.007 20 0 BDADLO COc1ccc(-c2noc([C@@H]([NH3+])CO)n2)c(C)c1 ZINC001247613283 988946309 /nfs/dbraw/zinc/94/63/09/988946309.db2.gz RIEICFWDDSDTMF-JTQLQIEISA-N 1 2 249.270 1.046 20 0 BDADLO Cc1cc(C)cc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)c1 ZINC001247617729 988949850 /nfs/dbraw/zinc/94/98/50/988949850.db2.gz WYFGNKNZYRCMBO-KOLCDFICSA-N 1 2 247.298 1.734 20 0 BDADLO CCc1nc(NCC(C)(C)C(=O)OC)cc[nH+]1 ZINC001119349700 988991813 /nfs/dbraw/zinc/99/18/13/988991813.db2.gz SJSQFINWKWELND-UHFFFAOYSA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(CN(C)C(=O)CCc2[nH]cc[nH+]2)no1 ZINC001324933562 989023689 /nfs/dbraw/zinc/02/36/89/989023689.db2.gz MGQQPYWDMSUANS-UHFFFAOYSA-N 1 2 248.286 1.297 20 0 BDADLO CCn1[nH]cnc1=NC[C@@H](c1ccco1)[NH+](C)C ZINC001515315979 989025161 /nfs/dbraw/zinc/02/51/61/989025161.db2.gz ZEEAZYQXVVIGFI-JTQLQIEISA-N 1 2 249.318 1.028 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(C)cc2C)no1 ZINC001248183953 989075917 /nfs/dbraw/zinc/07/59/17/989075917.db2.gz GLJBGHPZACUUML-NSHDSACASA-N 1 2 247.298 2.000 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(F)nc2)[nH]1 ZINC001119449205 989083205 /nfs/dbraw/zinc/08/32/05/989083205.db2.gz PVFFNICSDDOUDO-ZETCQYMHSA-N 1 2 235.266 1.498 20 0 BDADLO CCc1ccc(N[C@@H](C)C[S@](C)=O)[nH+]c1 ZINC001515626856 989084427 /nfs/dbraw/zinc/08/44/27/989084427.db2.gz ZYHVHFCOTILXHV-VFZGTOFNSA-N 1 2 226.345 1.823 20 0 BDADLO COC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001119502354 989113598 /nfs/dbraw/zinc/11/35/98/989113598.db2.gz OGIWKZPXYCYABO-GMTAPVOTSA-N 1 2 249.314 1.008 20 0 BDADLO COC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001119502354 989113608 /nfs/dbraw/zinc/11/36/08/989113608.db2.gz OGIWKZPXYCYABO-GMTAPVOTSA-N 1 2 249.314 1.008 20 0 BDADLO CO[C@@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001515914445 989130793 /nfs/dbraw/zinc/13/07/93/989130793.db2.gz LOWKHGWGCHAQAK-VIFPVBQESA-N 1 2 226.276 1.196 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CSC1(C)C)n1cc[nH+]c1 ZINC001325268320 989136943 /nfs/dbraw/zinc/13/69/43/989136943.db2.gz LXKJUDDZOYHQDR-DTWKUNHWSA-N 1 2 239.344 1.454 20 0 BDADLO C[N@H+](Cc1ccc2n1CCC2)Cc1cncnc1 ZINC001248825402 989192795 /nfs/dbraw/zinc/19/27/95/989192795.db2.gz BUOHWYZYCFZNDZ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1ccc2n1CCC2)Cc1cncnc1 ZINC001248825402 989192800 /nfs/dbraw/zinc/19/28/00/989192800.db2.gz BUOHWYZYCFZNDZ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001248856892 989197893 /nfs/dbraw/zinc/19/78/93/989197893.db2.gz ATYJMJXDDXTHSF-PWSUYJOCSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001248856892 989197899 /nfs/dbraw/zinc/19/78/99/989197899.db2.gz ATYJMJXDDXTHSF-PWSUYJOCSA-N 1 2 237.303 1.379 20 0 BDADLO C[C@@H]1CC[N@@H+]1Cc1cnn2ccc(Cl)nc12 ZINC001248871091 989212295 /nfs/dbraw/zinc/21/22/95/989212295.db2.gz BAVQONUJHCMLTF-MRVPVSSYSA-N 1 2 236.706 1.977 20 0 BDADLO C[C@@H]1CC[N@H+]1Cc1cnn2ccc(Cl)nc12 ZINC001248871091 989212304 /nfs/dbraw/zinc/21/23/04/989212304.db2.gz BAVQONUJHCMLTF-MRVPVSSYSA-N 1 2 236.706 1.977 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC001248989189 989237601 /nfs/dbraw/zinc/23/76/01/989237601.db2.gz PRWCEDGTWJNEJI-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC001248989189 989237615 /nfs/dbraw/zinc/23/76/15/989237615.db2.gz PRWCEDGTWJNEJI-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ncco1 ZINC001119631909 989265486 /nfs/dbraw/zinc/26/54/86/989265486.db2.gz IHQPHKSMDBHIAJ-KXEKKFMESA-N 1 2 216.306 1.092 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC001119634046 989270586 /nfs/dbraw/zinc/27/05/86/989270586.db2.gz XNFMWJXUQXWQAP-PWSUYJOCSA-N 1 2 249.314 1.040 20 0 BDADLO C[C@@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001518511267 989315402 /nfs/dbraw/zinc/31/54/02/989315402.db2.gz JQUBERGGDQXYIA-DGCLKSJQSA-N 1 2 241.306 1.930 20 0 BDADLO C[C@@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001518511267 989315416 /nfs/dbraw/zinc/31/54/16/989315416.db2.gz JQUBERGGDQXYIA-DGCLKSJQSA-N 1 2 241.306 1.930 20 0 BDADLO Cc1cc(CN2CCc3c([nH+]cn3C)C2)ns1 ZINC001249588896 989317456 /nfs/dbraw/zinc/31/74/56/989317456.db2.gz ORXNNQUCUVHUGF-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO CC1(C)C[N@H+](CC(=O)Nc2cccnn2)C1(C)C ZINC001119685886 989333448 /nfs/dbraw/zinc/33/34/48/989333448.db2.gz SZNBYPFQIUWFFZ-UHFFFAOYSA-N 1 2 248.330 1.536 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)Nc2cccnn2)C1(C)C ZINC001119685886 989333453 /nfs/dbraw/zinc/33/34/53/989333453.db2.gz SZNBYPFQIUWFFZ-UHFFFAOYSA-N 1 2 248.330 1.536 20 0 BDADLO CN(CC1CC1)C(=O)CCc1[nH+]ccn1C ZINC001518983478 989362926 /nfs/dbraw/zinc/36/29/26/989362926.db2.gz XMUBFMFPSLTXAL-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001119743603 989381253 /nfs/dbraw/zinc/38/12/53/989381253.db2.gz MLCMUQADBRAENP-LLMHMKPQSA-N 1 2 211.305 1.490 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001119743603 989381263 /nfs/dbraw/zinc/38/12/63/989381263.db2.gz MLCMUQADBRAENP-LLMHMKPQSA-N 1 2 211.305 1.490 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC[C@@H](F)C1 ZINC001326184849 989411208 /nfs/dbraw/zinc/41/12/08/989411208.db2.gz TZUCNDJQTZYGSZ-GHMZBOCLSA-N 1 2 240.278 1.955 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001119889057 989459352 /nfs/dbraw/zinc/45/93/52/989459352.db2.gz QZPRNQVTQWKMMQ-CMPLNLGQSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001119889057 989459359 /nfs/dbraw/zinc/45/93/59/989459359.db2.gz QZPRNQVTQWKMMQ-CMPLNLGQSA-N 1 2 224.279 1.295 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2ccco2)o1 ZINC001326293047 989469869 /nfs/dbraw/zinc/46/98/69/989469869.db2.gz SPOGZIYNCODOCE-UHFFFAOYSA-N 1 2 221.260 1.509 20 0 BDADLO C[NH+](C)Cc1nnc(CCCc2ccccn2)o1 ZINC001326291492 989471741 /nfs/dbraw/zinc/47/17/41/989471741.db2.gz AOMURPCKVPJSJL-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CNc1cc(CNC(=O)N2CCC[C@H]2C)cc[nH+]1 ZINC001519903546 989474506 /nfs/dbraw/zinc/47/45/06/989474506.db2.gz ZVJLXJDOLZMCTP-SNVBAGLBSA-N 1 2 248.330 1.817 20 0 BDADLO CC1(CC(=O)NCCNc2cccc[nH+]2)COC1 ZINC001120018446 989564918 /nfs/dbraw/zinc/56/49/18/989564918.db2.gz RHDVTGWMDZDHIL-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO C[C@]1([NH2+]Cc2ncc(Cl)s2)CCNC1=O ZINC001120072036 989586951 /nfs/dbraw/zinc/58/69/51/989586951.db2.gz FCJDYRSSKWWQPU-VIFPVBQESA-N 1 2 245.735 1.165 20 0 BDADLO O=C(/C=C\c1nccs1)NCCn1cc[nH+]c1 ZINC001520837594 989611850 /nfs/dbraw/zinc/61/18/50/989611850.db2.gz BTXODIUOKYNXEX-UPHRSURJSA-N 1 2 248.311 1.169 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@@H](F)C1)n1cc[nH+]c1 ZINC001326627400 989631390 /nfs/dbraw/zinc/63/13/90/989631390.db2.gz POHLVEMVZLITDF-VHSXEESVSA-N 1 2 225.267 1.405 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+][C@@H](C)c1ncon1 ZINC001120509937 989686882 /nfs/dbraw/zinc/68/68/82/989686882.db2.gz YBLYXGGBMXZJKM-VHSXEESVSA-N 1 2 227.308 1.517 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+][C@H](C)c1ncon1 ZINC001120509938 989687718 /nfs/dbraw/zinc/68/77/18/989687718.db2.gz YBLYXGGBMXZJKM-ZJUUUORDSA-N 1 2 227.308 1.517 20 0 BDADLO COC(=O)NC1C[NH+](Cc2ccc(C)s2)C1 ZINC001326797755 989718219 /nfs/dbraw/zinc/71/82/19/989718219.db2.gz PWOKDWHREALZJI-UHFFFAOYSA-N 1 2 240.328 1.597 20 0 BDADLO CC[C@@H](F)C(=O)NCCCNc1cccc[nH+]1 ZINC001120603690 989778180 /nfs/dbraw/zinc/77/81/80/989778180.db2.gz ITDWQCBSZGBINW-SNVBAGLBSA-N 1 2 239.294 1.748 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001522326361 989844865 /nfs/dbraw/zinc/84/48/65/989844865.db2.gz AFWCDYLGUOLDCL-WCBMZHEXSA-N 1 2 237.303 1.008 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@H]2CCCO2)[nH+]cn1 ZINC001120845120 989918652 /nfs/dbraw/zinc/91/86/52/989918652.db2.gz LFTKTWYLKJCABG-NXEZZACHSA-N 1 2 234.303 1.207 20 0 BDADLO Cc1cc(F)cc(N(C)CCn2cccn2)[nH+]1 ZINC001120896165 989950009 /nfs/dbraw/zinc/95/00/09/989950009.db2.gz KDDHRBHENATOFX-UHFFFAOYSA-N 1 2 234.278 1.862 20 0 BDADLO Nc1cc(N2CCC[C@H](OCC3CC3)C2)[nH+]cn1 ZINC001120920354 989967320 /nfs/dbraw/zinc/96/73/20/989967320.db2.gz HBQRAPCKPBXIOX-NSHDSACASA-N 1 2 248.330 1.454 20 0 BDADLO O=C1OCC[C@@]12CCN(c1cc[nH+]cc1F)C2 ZINC001120993884 989996954 /nfs/dbraw/zinc/99/69/54/989996954.db2.gz RMURTNIWSKRTFI-GFCCVEGCSA-N 1 2 236.246 1.364 20 0 BDADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)C1CCC1 ZINC001524815884 990014346 /nfs/dbraw/zinc/01/43/46/990014346.db2.gz DWRSTYPUXSBBRS-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO CC[C@H](F)C(=O)OCc1c[nH+]cn1CC ZINC001527012883 990201148 /nfs/dbraw/zinc/20/11/48/990201148.db2.gz ZMBLEAIYGVDXAL-VIFPVBQESA-N 1 2 214.240 1.694 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001528509873 990294503 /nfs/dbraw/zinc/29/45/03/990294503.db2.gz QSQYLUFRGUGLSQ-IJLUTSLNSA-N 1 2 247.342 1.658 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001528928467 990318767 /nfs/dbraw/zinc/31/87/67/990318767.db2.gz FFNOFNZCLANUKO-LLVKDONJSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)(CC[NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC001590687824 990402942 /nfs/dbraw/zinc/40/29/42/990402942.db2.gz WGRNBIBGOQLGPH-UHFFFAOYSA-N 1 2 239.319 1.364 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ncccc1F ZINC001534713358 990455750 /nfs/dbraw/zinc/45/57/50/990455750.db2.gz VFSFQNKRXDUMLH-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO Cc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)nn1 ZINC001535599513 990474290 /nfs/dbraw/zinc/47/42/90/990474290.db2.gz HAXIXHSEWCYKCE-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cn1ccnc1NC(=O)CCCn1cc[nH+]c1 ZINC001536382393 990483555 /nfs/dbraw/zinc/48/35/55/990483555.db2.gz XAFNOURVCJFXSX-UHFFFAOYSA-N 1 2 233.275 1.036 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@H]1C ZINC001123470540 990591036 /nfs/dbraw/zinc/59/10/36/990591036.db2.gz SGXHYQOYGWFEQG-SCZZXKLOSA-N 1 2 208.261 1.602 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)c2ccoc2)o1 ZINC001123501516 990597541 /nfs/dbraw/zinc/59/75/41/990597541.db2.gz MCQHCEQRJIAHRQ-UHFFFAOYSA-N 1 2 249.270 1.096 20 0 BDADLO Cc1c(NC(=O)CCc2[nH+]ccn2C)cnn1C ZINC001123756001 990659891 /nfs/dbraw/zinc/65/98/91/990659891.db2.gz KVPLPONXXLCVFL-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO CNc1cc(CNC(=O)N[C@H]2CC23CC3)cc[nH+]1 ZINC001123796560 990670207 /nfs/dbraw/zinc/67/02/07/990670207.db2.gz YFYDBDPRLOKFGU-JTQLQIEISA-N 1 2 246.314 1.475 20 0 BDADLO Cc1cc(NC(=O)CO)ccc1-n1cc[nH+]c1 ZINC001542875345 990674694 /nfs/dbraw/zinc/67/46/94/990674694.db2.gz CDKWDRDNRZYWJG-UHFFFAOYSA-N 1 2 231.255 1.112 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001123878222 990692610 /nfs/dbraw/zinc/69/26/10/990692610.db2.gz NWJBXCBULQVSSZ-NXEZZACHSA-N 1 2 221.304 1.267 20 0 BDADLO C/C=C(/C=C/C(=O)NCCc1[nH+]ccn1C)CC ZINC001124010416 990732269 /nfs/dbraw/zinc/73/22/69/990732269.db2.gz IGLZWNLPMYRABC-GJQNCLFESA-N 1 2 247.342 1.991 20 0 BDADLO Nc1cc(N2CC[C@@H](COC(F)F)C2)[nH+]cn1 ZINC001548517495 990765723 /nfs/dbraw/zinc/76/57/23/990765723.db2.gz ORKBUUGLURYDJV-SSDOTTSWSA-N 1 2 244.245 1.124 20 0 BDADLO CCc1nc(CNC(=O)CCc2c[nH]c[nH+]2)co1 ZINC001556641684 990841014 /nfs/dbraw/zinc/84/10/14/990841014.db2.gz HZRWVBIBKIGWNV-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCc1nc(CNC(=O)CCc2c[nH+]c[nH]2)co1 ZINC001556641684 990841016 /nfs/dbraw/zinc/84/10/16/990841016.db2.gz HZRWVBIBKIGWNV-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1ccc(F)nc1)C2 ZINC001137735594 990844908 /nfs/dbraw/zinc/84/49/08/990844908.db2.gz ZKCVPKIBSWAQPM-UHFFFAOYSA-N 1 2 222.263 1.177 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930572 990870740 /nfs/dbraw/zinc/87/07/40/990870740.db2.gz UMIMMDIWPWJZOO-MRVPVSSYSA-N 1 2 245.244 1.918 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930572 990870743 /nfs/dbraw/zinc/87/07/43/990870743.db2.gz UMIMMDIWPWJZOO-MRVPVSSYSA-N 1 2 245.244 1.918 20 0 BDADLO CCc1[nH]c(CNC(=O)c2nccnc2C)c[nH+]1 ZINC001558498177 990954909 /nfs/dbraw/zinc/95/49/09/990954909.db2.gz SEEXRMXIONUEFT-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2nccnc2C)[nH+]1 ZINC001558498177 990954918 /nfs/dbraw/zinc/95/49/18/990954918.db2.gz SEEXRMXIONUEFT-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccc(C)cn2)n1 ZINC001202831407 990954902 /nfs/dbraw/zinc/95/49/02/990954902.db2.gz CHANXRIKXJMIER-UHFFFAOYSA-N 1 2 230.315 1.896 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CC(Cl)(Cl)C1 ZINC001558529466 990960078 /nfs/dbraw/zinc/96/00/78/990960078.db2.gz PYIBLHQKBFMIIY-UHFFFAOYSA-N 1 2 248.113 1.405 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cocn1 ZINC001558536822 990962697 /nfs/dbraw/zinc/96/26/97/990962697.db2.gz BUFBARMOHUQGSB-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO CCCn1ncc(C[N@@H+]2CCO[C@@H](C)C2)c1C ZINC001138637183 990990739 /nfs/dbraw/zinc/99/07/39/990990739.db2.gz NIEPGWLNRPCWOU-NSHDSACASA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1ncc(C[N@H+]2CCO[C@@H](C)C2)c1C ZINC001138637183 990990750 /nfs/dbraw/zinc/99/07/50/990990750.db2.gz NIEPGWLNRPCWOU-NSHDSACASA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1ncc(C[N@H+](CC)C2COC2)c1C ZINC001138639384 990993851 /nfs/dbraw/zinc/99/38/51/990993851.db2.gz NBWIDGFQJPIFRQ-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1ncc(C[N@@H+](CC)C2COC2)c1C ZINC001138639384 990993859 /nfs/dbraw/zinc/99/38/59/990993859.db2.gz NBWIDGFQJPIFRQ-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)C2COC2)c1C ZINC001138647636 990996642 /nfs/dbraw/zinc/99/66/42/990996642.db2.gz RUDVWVXMCQQADO-UHFFFAOYSA-N 1 2 237.347 1.741 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)C2COC2)c1C ZINC001138647636 990996648 /nfs/dbraw/zinc/99/66/48/990996648.db2.gz RUDVWVXMCQQADO-UHFFFAOYSA-N 1 2 237.347 1.741 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1C ZINC001138647708 990999777 /nfs/dbraw/zinc/99/97/77/990999777.db2.gz STGKEJVNKSJDRM-RYUDHWBXSA-N 1 2 235.331 1.493 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1C ZINC001138647708 990999783 /nfs/dbraw/zinc/99/97/83/990999783.db2.gz STGKEJVNKSJDRM-RYUDHWBXSA-N 1 2 235.331 1.493 20 0 BDADLO CNc1ncccc1C[NH+]1CC(CC(=O)OC)C1 ZINC001138693181 991005164 /nfs/dbraw/zinc/00/51/64/991005164.db2.gz NBLYFKIEBNXCCJ-UHFFFAOYSA-N 1 2 249.314 1.118 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nnnn2C)c(C)o1 ZINC001308545122 991025366 /nfs/dbraw/zinc/02/53/66/991025366.db2.gz ZVCXLIYQUSPGGO-QMMMGPOBSA-N 1 2 235.291 1.271 20 0 BDADLO C[C@H]1CC([NH+]2CC(F)(CO)C2)C[C@H](C)C1 ZINC001258158793 991029287 /nfs/dbraw/zinc/02/92/87/991029287.db2.gz FXRREISKIVPIOC-NXEZZACHSA-N 1 2 215.312 1.827 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ncc1F)C2 ZINC001308692404 991097472 /nfs/dbraw/zinc/09/74/72/991097472.db2.gz CSUZYHSTCUAEEE-SKDRFNHKSA-N 1 2 240.253 1.174 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ncc1F)C2 ZINC001308692404 991097478 /nfs/dbraw/zinc/09/74/78/991097478.db2.gz CSUZYHSTCUAEEE-SKDRFNHKSA-N 1 2 240.253 1.174 20 0 BDADLO Nc1[nH+]cccc1CN1CCCc2n[nH]cc21 ZINC001308724261 991109519 /nfs/dbraw/zinc/10/95/19/991109519.db2.gz RCOCCSQGEUACHU-UHFFFAOYSA-N 1 2 229.287 1.340 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)Cc1ccco1 ZINC001258196770 991112092 /nfs/dbraw/zinc/11/20/92/991112092.db2.gz ZFURMVXOVLKCCV-VIFPVBQESA-N 1 2 211.261 1.315 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1ccco1 ZINC001258196770 991112097 /nfs/dbraw/zinc/11/20/97/991112097.db2.gz ZFURMVXOVLKCCV-VIFPVBQESA-N 1 2 211.261 1.315 20 0 BDADLO CCc1cn(Cc2cccnc2OC)c[nH+]1 ZINC001559465837 991114137 /nfs/dbraw/zinc/11/41/37/991114137.db2.gz CEIDZMGEVSOYHO-UHFFFAOYSA-N 1 2 217.272 1.897 20 0 BDADLO O=C(C[NH2+]Cc1cnc[nH]1)Nc1cccc(F)c1 ZINC001308746124 991118386 /nfs/dbraw/zinc/11/83/86/991118386.db2.gz BOLRBWMANBKXEE-UHFFFAOYSA-N 1 2 248.261 1.277 20 0 BDADLO CCCn1cc(C[N@H+](C)C2(C)COC2)cn1 ZINC001139040047 991128588 /nfs/dbraw/zinc/12/85/88/991128588.db2.gz PLBYJWMXUVOOCJ-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1cc(C[N@@H+](C)C2(C)COC2)cn1 ZINC001139040047 991128593 /nfs/dbraw/zinc/12/85/93/991128593.db2.gz PLBYJWMXUVOOCJ-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(CO)cs2)[C@@H]1C ZINC001308790213 991135679 /nfs/dbraw/zinc/13/56/79/991135679.db2.gz PNTOKVCCLRUAPM-HTQZYQBOSA-N 1 2 212.318 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(CO)cs2)[C@@H]1C ZINC001308790213 991135686 /nfs/dbraw/zinc/13/56/86/991135686.db2.gz PNTOKVCCLRUAPM-HTQZYQBOSA-N 1 2 212.318 1.476 20 0 BDADLO Nc1ncc(C[N@@H+]2CCCC(=O)CC2)s1 ZINC001139225457 991199103 /nfs/dbraw/zinc/19/91/03/991199103.db2.gz FAHFTRPOGWEIGJ-UHFFFAOYSA-N 1 2 225.317 1.280 20 0 BDADLO Nc1ncc(C[N@H+]2CCCC(=O)CC2)s1 ZINC001139225457 991199121 /nfs/dbraw/zinc/19/91/21/991199121.db2.gz FAHFTRPOGWEIGJ-UHFFFAOYSA-N 1 2 225.317 1.280 20 0 BDADLO Nc1ncc(C[N@@H+]2CCOC3(CC3)C2)s1 ZINC001139229328 991207031 /nfs/dbraw/zinc/20/70/31/991207031.db2.gz SXOQXCYWGXTPSK-UHFFFAOYSA-N 1 2 225.317 1.090 20 0 BDADLO Nc1ncc(C[N@H+]2CCOC3(CC3)C2)s1 ZINC001139229328 991207040 /nfs/dbraw/zinc/20/70/40/991207040.db2.gz SXOQXCYWGXTPSK-UHFFFAOYSA-N 1 2 225.317 1.090 20 0 BDADLO CCCOC1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC001139468865 991248015 /nfs/dbraw/zinc/24/80/15/991248015.db2.gz YFNHOZXDVRHFMO-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO c1cc([C@H]2CCCC[N@H+]2CC2=NOCC2)n[nH]1 ZINC001559831511 991276680 /nfs/dbraw/zinc/27/66/80/991276680.db2.gz VHHPVIABYGSTGD-GFCCVEGCSA-N 1 2 234.303 1.713 20 0 BDADLO c1cc([C@H]2CCCC[N@@H+]2CC2=NOCC2)n[nH]1 ZINC001559831511 991276690 /nfs/dbraw/zinc/27/66/90/991276690.db2.gz VHHPVIABYGSTGD-GFCCVEGCSA-N 1 2 234.303 1.713 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+][C@@H](C)CCC(=O)OC ZINC001258351505 991285138 /nfs/dbraw/zinc/28/51/38/991285138.db2.gz RHKQRVZNUCYMCO-VIFPVBQESA-N 1 2 245.319 1.259 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1N)c1ccn(C)n1 ZINC001559900367 991314833 /nfs/dbraw/zinc/31/48/33/991314833.db2.gz ZNFQCIASDGFYOS-SECBINFHSA-N 1 2 231.303 1.248 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCn2nccc2C1 ZINC001560026358 991360273 /nfs/dbraw/zinc/36/02/73/991360273.db2.gz RNGHRDJWHQCXOP-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCn2nccc2C1 ZINC001560026358 991360281 /nfs/dbraw/zinc/36/02/81/991360281.db2.gz RNGHRDJWHQCXOP-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO Oc1cccc2c1CC[N@H+](CC1=NOCC1)C2 ZINC001560049597 991366012 /nfs/dbraw/zinc/36/60/12/991366012.db2.gz JAOBJBWWNLLDCG-UHFFFAOYSA-N 1 2 232.283 1.527 20 0 BDADLO Oc1cccc2c1CC[N@@H+](CC1=NOCC1)C2 ZINC001560049597 991366018 /nfs/dbraw/zinc/36/60/18/991366018.db2.gz JAOBJBWWNLLDCG-UHFFFAOYSA-N 1 2 232.283 1.527 20 0 BDADLO C[C@@H](O)[C@@H](C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078833 991373182 /nfs/dbraw/zinc/37/31/82/991373182.db2.gz FTSZXQZUVQUQHL-VXGBXAGGSA-N 1 2 248.326 1.105 20 0 BDADLO C[C@@H](O)[C@@H](C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078833 991373187 /nfs/dbraw/zinc/37/31/87/991373187.db2.gz FTSZXQZUVQUQHL-VXGBXAGGSA-N 1 2 248.326 1.105 20 0 BDADLO COC(=O)CC1C[NH+](Cc2ccc(C)cn2)C1 ZINC001139838460 991394512 /nfs/dbraw/zinc/39/45/12/991394512.db2.gz FFLATMHRIDCAPS-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001328703693 991396665 /nfs/dbraw/zinc/39/66/65/991396665.db2.gz PULNKGQQUHPPKU-YYRQZUAOSA-N 1 2 245.326 1.528 20 0 BDADLO COC(=O)[C@]1([NH2+][C@@H](C)CC2CC2)CCOC1 ZINC001258458557 991412125 /nfs/dbraw/zinc/41/21/25/991412125.db2.gz UROOHWYTIAJOEG-CABZTGNLSA-N 1 2 227.304 1.097 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@@H+]1CCC(=O)N(C)C ZINC001560218962 991423306 /nfs/dbraw/zinc/42/33/06/991423306.db2.gz DLEGIWRUORQKBA-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@H+]1CCC(=O)N(C)C ZINC001560218962 991423313 /nfs/dbraw/zinc/42/33/13/991423313.db2.gz DLEGIWRUORQKBA-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccnn2)C[C@H]1F ZINC001139969963 991430366 /nfs/dbraw/zinc/43/03/66/991430366.db2.gz IRJBWEJYXRJWLH-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccnn2)C[C@H]1F ZINC001139969963 991430373 /nfs/dbraw/zinc/43/03/73/991430373.db2.gz IRJBWEJYXRJWLH-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH2+][C@H](CC)C(=O)OC ZINC001258474502 991444452 /nfs/dbraw/zinc/44/44/52/991444452.db2.gz TZRCAKPQGHQFBV-NXEZZACHSA-N 1 2 245.319 1.259 20 0 BDADLO OC1CC[NH+](Cc2cnc(Cl)nc2)CC1 ZINC001139987153 991466597 /nfs/dbraw/zinc/46/65/97/991466597.db2.gz IDTWLJIEZZXTME-UHFFFAOYSA-N 1 2 227.695 1.087 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001258502085 991466855 /nfs/dbraw/zinc/46/68/55/991466855.db2.gz CZDDQJWMNJJZPO-GARJFASQSA-N 1 2 227.304 1.191 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001258502085 991466859 /nfs/dbraw/zinc/46/68/59/991466859.db2.gz CZDDQJWMNJJZPO-GARJFASQSA-N 1 2 227.304 1.191 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139992330 991466980 /nfs/dbraw/zinc/46/69/80/991466980.db2.gz FLTIZBBXTWRURB-WPRPVWTQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cnc(Cl)nc1 ZINC001139992330 991466985 /nfs/dbraw/zinc/46/69/85/991466985.db2.gz FLTIZBBXTWRURB-WPRPVWTQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988460 991469887 /nfs/dbraw/zinc/46/98/87/991469887.db2.gz YNTWAOHUSNARKG-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988460 991469883 /nfs/dbraw/zinc/46/98/83/991469883.db2.gz YNTWAOHUSNARKG-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139993192 991474973 /nfs/dbraw/zinc/47/49/73/991474973.db2.gz FGNFDCZNXORJML-JTQLQIEISA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139993192 991474982 /nfs/dbraw/zinc/47/49/82/991474982.db2.gz FGNFDCZNXORJML-JTQLQIEISA-N 1 2 239.706 1.541 20 0 BDADLO CC[N@H+](Cc1ccccn1)Cc1nccnc1N ZINC001140012297 991481646 /nfs/dbraw/zinc/48/16/46/991481646.db2.gz PPQWMTRMNVACJO-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO CC[N@@H+](Cc1ccccn1)Cc1nccnc1N ZINC001140012297 991481649 /nfs/dbraw/zinc/48/16/49/991481649.db2.gz PPQWMTRMNVACJO-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cn1 ZINC001560472260 991482734 /nfs/dbraw/zinc/48/27/34/991482734.db2.gz SKEWZYKKOGIYJD-CMPLNLGQSA-N 1 2 243.314 1.976 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccc(OC)nc2)co1 ZINC001560474945 991482752 /nfs/dbraw/zinc/48/27/52/991482752.db2.gz JDNYDUCHZACTFJ-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO CC1(C)CC[C@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258602814 991487560 /nfs/dbraw/zinc/48/75/60/991487560.db2.gz PCGKVJABCCKZMU-VIFPVBQESA-N 1 2 201.285 1.581 20 0 BDADLO Cc1cccc(C[NH2+]Cc2nc(CO)n[nH]2)c1C ZINC001560626639 991530519 /nfs/dbraw/zinc/53/05/19/991530519.db2.gz VOUMZISDTIPZNU-UHFFFAOYSA-N 1 2 246.314 1.204 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(F)c1 ZINC001140129702 991532595 /nfs/dbraw/zinc/53/25/95/991532595.db2.gz JTGWDNIDTHZWPY-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@]23CCOC3)c(F)c1 ZINC001140129702 991532606 /nfs/dbraw/zinc/53/26/06/991532606.db2.gz JTGWDNIDTHZWPY-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO C[C@H](Cc1cccnc1)[NH+]1CC2(CCO2)C1 ZINC001258630110 991569090 /nfs/dbraw/zinc/56/90/90/991569090.db2.gz OQKIQPZRXDOBJH-LLVKDONJSA-N 1 2 218.300 1.487 20 0 BDADLO CCCCC[C@H](CCC)[NH2+][C@H](CO)C(=O)OC ZINC001258663189 991574897 /nfs/dbraw/zinc/57/48/97/991574897.db2.gz WRJIOKHLJVZRNB-NWDGAFQWSA-N 1 2 245.363 1.859 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2cccnc2)CCO1 ZINC001258633648 991576845 /nfs/dbraw/zinc/57/68/45/991576845.db2.gz XQWAEKCTAUAZCH-FZMZJTMJSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2cccnc2)CCO1 ZINC001258633648 991576855 /nfs/dbraw/zinc/57/68/55/991576855.db2.gz XQWAEKCTAUAZCH-FZMZJTMJSA-N 1 2 248.326 1.302 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccncc1O ZINC001140274244 991578892 /nfs/dbraw/zinc/57/88/92/991578892.db2.gz YIDCFCINWCYZIB-SECBINFHSA-N 1 2 220.272 1.341 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccncc1O ZINC001140274244 991578901 /nfs/dbraw/zinc/57/89/01/991578901.db2.gz YIDCFCINWCYZIB-SECBINFHSA-N 1 2 220.272 1.341 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2O)CCC1=O ZINC001140274956 991583250 /nfs/dbraw/zinc/58/32/50/991583250.db2.gz JHILYWDAHCDDDM-SECBINFHSA-N 1 2 220.272 1.198 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2O)CCC1=O ZINC001140274956 991583260 /nfs/dbraw/zinc/58/32/60/991583260.db2.gz JHILYWDAHCDDDM-SECBINFHSA-N 1 2 220.272 1.198 20 0 BDADLO Cc1cccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001317998820 991609122 /nfs/dbraw/zinc/60/91/22/991609122.db2.gz OUGUGIZZOZDDNR-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO F[C@@H]1C[N@H+](Cc2ccncn2)C[C@@H]2C[C@@H]21 ZINC001140343193 991615542 /nfs/dbraw/zinc/61/55/42/991615542.db2.gz NKDQOJNXMYRRRA-INTQDDNPSA-N 1 2 207.252 1.266 20 0 BDADLO F[C@@H]1C[N@@H+](Cc2ccncn2)C[C@@H]2C[C@@H]21 ZINC001140343193 991615545 /nfs/dbraw/zinc/61/55/45/991615545.db2.gz NKDQOJNXMYRRRA-INTQDDNPSA-N 1 2 207.252 1.266 20 0 BDADLO CCCCCC(=O)NCC1C[NH+](CCF)C1 ZINC001318100808 991624062 /nfs/dbraw/zinc/62/40/62/991624062.db2.gz CBAGCWCOFOPDOR-UHFFFAOYSA-N 1 2 230.327 1.584 20 0 BDADLO COc1cc(F)cc(C[NH+]2CC3(COC3)C2)c1 ZINC001140477440 991650772 /nfs/dbraw/zinc/65/07/72/991650772.db2.gz FEIOZHDRDUMRKN-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO Cn1cnc2cc(C[NH+]3CC4(CCO4)C3)ccc21 ZINC001140508884 991658964 /nfs/dbraw/zinc/65/89/64/991658964.db2.gz ZWGCWTHDLAVSJM-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO Fc1cnccc1C[NH2+]Cc1cnccn1 ZINC001561047362 991703235 /nfs/dbraw/zinc/70/32/35/991703235.db2.gz NFEMXNWOZXCDHD-UHFFFAOYSA-N 1 2 218.235 1.301 20 0 BDADLO CC1(CCNC(=O)NCc2ccc[nH+]c2N)CC1 ZINC001564700316 991771674 /nfs/dbraw/zinc/77/16/74/991771674.db2.gz DMAHPXFBRQYYAE-UHFFFAOYSA-N 1 2 248.330 1.653 20 0 BDADLO Cc1ncccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319237195 991822624 /nfs/dbraw/zinc/82/26/24/991822624.db2.gz WOJFBTNPFKHTEL-JTQLQIEISA-N 1 2 230.271 1.786 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001566151504 991826583 /nfs/dbraw/zinc/82/65/83/991826583.db2.gz SGSCVXXXFXCCLJ-DTWKUNHWSA-N 1 2 241.241 1.066 20 0 BDADLO Cc1conc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001319316978 991837830 /nfs/dbraw/zinc/83/78/30/991837830.db2.gz TVSPNFCLKAUPBP-SECBINFHSA-N 1 2 249.274 1.390 20 0 BDADLO Cc1conc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001319316980 991840249 /nfs/dbraw/zinc/84/02/49/991840249.db2.gz TVSPNFCLKAUPBP-VIFPVBQESA-N 1 2 249.274 1.390 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001319820613 991994014 /nfs/dbraw/zinc/99/40/14/991994014.db2.gz HOIMHJSHHXFLLY-WDEREUQCSA-N 1 2 221.304 1.701 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319820610 991995628 /nfs/dbraw/zinc/99/56/28/991995628.db2.gz HOIMHJSHHXFLLY-GHMZBOCLSA-N 1 2 221.304 1.701 20 0 BDADLO CCc1onc(C)c1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320272069 992151533 /nfs/dbraw/zinc/15/15/33/992151533.db2.gz MVUJDKAICQXZFS-VIFPVBQESA-N 1 2 248.286 1.942 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001260740021 992153030 /nfs/dbraw/zinc/15/30/30/992153030.db2.gz NZMPHSDPXNHJJS-GHMZBOCLSA-N 1 2 248.392 1.141 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001260740021 992153035 /nfs/dbraw/zinc/15/30/35/992153035.db2.gz NZMPHSDPXNHJJS-GHMZBOCLSA-N 1 2 248.392 1.141 20 0 BDADLO c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC001320326529 992171216 /nfs/dbraw/zinc/17/12/16/992171216.db2.gz PXZKMPDCPZVNQR-UHFFFAOYSA-N 1 2 244.385 1.709 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NC(C)(C)C(F)F ZINC001568646000 992202140 /nfs/dbraw/zinc/20/21/40/992202140.db2.gz JVSACHABPALJBC-ZETCQYMHSA-N 1 2 220.263 1.241 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NC(C)(C)C(F)F ZINC001568646000 992202149 /nfs/dbraw/zinc/20/21/49/992202149.db2.gz JVSACHABPALJBC-ZETCQYMHSA-N 1 2 220.263 1.241 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001320595649 992263838 /nfs/dbraw/zinc/26/38/38/992263838.db2.gz IZFGINAJCNTFFT-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001320595649 992263856 /nfs/dbraw/zinc/26/38/56/992263856.db2.gz IZFGINAJCNTFFT-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C(N)=O)c2ccccc2)[nH]n1 ZINC001320637423 992288110 /nfs/dbraw/zinc/28/81/10/992288110.db2.gz NDRRLBBYDCZBGA-GFCCVEGCSA-N 1 2 244.298 1.034 20 0 BDADLO CCC(=O)N[C@H](C)C[N@H+](C)Cc1nocc1C ZINC001569102151 992309545 /nfs/dbraw/zinc/30/95/45/992309545.db2.gz NHKXNPPWXMYQNK-SNVBAGLBSA-N 1 2 239.319 1.330 20 0 BDADLO CCC(=O)N[C@H](C)C[N@@H+](C)Cc1nocc1C ZINC001569102151 992309559 /nfs/dbraw/zinc/30/95/59/992309559.db2.gz NHKXNPPWXMYQNK-SNVBAGLBSA-N 1 2 239.319 1.330 20 0 BDADLO CC[C@@]1(NC(=O)[C@H](C)n2cc[nH+]c2)CCOC1 ZINC001320710215 992327556 /nfs/dbraw/zinc/32/75/56/992327556.db2.gz DVAHLRVJGGMKDK-CMPLNLGQSA-N 1 2 237.303 1.129 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCc1ccccn1)C1CC1 ZINC001261504194 992352137 /nfs/dbraw/zinc/35/21/37/992352137.db2.gz ACGTVYNHBFUBHC-ZDUSSCGKSA-N 1 2 248.326 1.555 20 0 BDADLO CC(C)OC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC001261504305 992354158 /nfs/dbraw/zinc/35/41/58/992354158.db2.gz DCMZDHFGFLZUCB-UHFFFAOYSA-N 1 2 241.331 1.175 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1nncn1C ZINC001320914286 992402434 /nfs/dbraw/zinc/40/24/34/992402434.db2.gz BTOZDKFHTPKOHS-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO CCC(=O)NC/C=C\C[NH2+][C@@H](C)c1ncccn1 ZINC001320943126 992412492 /nfs/dbraw/zinc/41/24/92/992412492.db2.gz SWRVPPAVSRKTHO-WYGGZMRJSA-N 1 2 248.330 1.210 20 0 BDADLO Cc1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)n[nH]1 ZINC001320967159 992419380 /nfs/dbraw/zinc/41/93/80/992419380.db2.gz AVZVDUTZTIYYKC-CYBMUJFWSA-N 1 2 249.358 1.967 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(CF)CCC1 ZINC001261783666 992507509 /nfs/dbraw/zinc/50/75/09/992507509.db2.gz UGLHHEARGHQLQC-SECBINFHSA-N 1 2 237.278 1.584 20 0 BDADLO CCn1nncc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC001261851466 992545858 /nfs/dbraw/zinc/54/58/58/992545858.db2.gz VASJITMWMDLEQH-UHFFFAOYSA-N 1 2 246.318 1.119 20 0 BDADLO CCC[C@H](C[NH2+][C@H](C)c1noc(C)n1)OC ZINC001262010555 992595425 /nfs/dbraw/zinc/59/54/25/992595425.db2.gz JGZXFJDTYWGJAC-PSASIEDQSA-N 1 2 227.308 1.844 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)no1 ZINC001262011089 992598858 /nfs/dbraw/zinc/59/88/58/992598858.db2.gz YEEHMKYEFHTJKQ-ATZCPNFKSA-N 1 2 239.319 1.986 20 0 BDADLO Cc1ncnc(N2CCn3c[nH+]cc3C2)c1C ZINC001262030178 992617869 /nfs/dbraw/zinc/61/78/69/992617869.db2.gz ZIJQSIKQRAQYKB-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO C[C@H](C(=O)N[C@@H]1COC(C)(C)C1)n1cc[nH+]c1 ZINC001262385319 992876022 /nfs/dbraw/zinc/87/60/22/992876022.db2.gz HKQVUANTAAAJRF-ZJUUUORDSA-N 1 2 237.303 1.128 20 0 BDADLO CCc1ccc(NCc2nc(COC)n[nH]2)[nH+]c1 ZINC001262701443 993043744 /nfs/dbraw/zinc/04/37/44/993043744.db2.gz LVNUTKISIAROGC-UHFFFAOYSA-N 1 2 247.302 1.521 20 0 BDADLO OCCc1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000586894402 993416017 /nfs/dbraw/zinc/41/60/17/993416017.db2.gz CSJDYESURYMOGO-UHFFFAOYSA-N 1 2 234.255 1.259 20 0 BDADLO C=C=CCNC(=O)NCCCNc1cccc[nH+]1 ZINC001263703115 993467629 /nfs/dbraw/zinc/46/76/29/993467629.db2.gz JQPOPTOORQQMRT-UHFFFAOYSA-N 1 2 246.314 1.524 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001263967633 993633878 /nfs/dbraw/zinc/63/38/78/993633878.db2.gz VRIIACRDYYLOPM-GHMZBOCLSA-N 1 2 235.331 1.658 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001263987038 993640028 /nfs/dbraw/zinc/64/00/28/993640028.db2.gz BDMOAEMOBGXDRC-QWHCGFSZSA-N 1 2 247.342 1.826 20 0 BDADLO CCCCNc1ccc(CC(=O)OC)c[nH+]1 ZINC000390758345 993803961 /nfs/dbraw/zinc/80/39/61/993803961.db2.gz KBAMGEXVBSRAQD-UHFFFAOYSA-N 1 2 222.288 1.431 20 0 BDADLO Cc1ncsc1CC[NH2+]Cc1ccn[nH]1 ZINC000391133899 993810312 /nfs/dbraw/zinc/81/03/12/993810312.db2.gz YUNHDDKSAULFPR-UHFFFAOYSA-N 1 2 222.317 1.507 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cccnc2)s1 ZINC000391855776 993818633 /nfs/dbraw/zinc/81/86/33/993818633.db2.gz STFGPKCUDYDKEM-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccc(C#N)s2)n1C ZINC000393173905 993912350 /nfs/dbraw/zinc/91/23/50/993912350.db2.gz FTWYHOZZVQAIEZ-UHFFFAOYSA-N 1 2 247.327 1.347 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2CCNC2=O)cs1 ZINC000702856129 994052611 /nfs/dbraw/zinc/05/26/11/994052611.db2.gz SVHRGTIFTXOURP-VIFPVBQESA-N 1 2 239.344 1.245 20 0 BDADLO C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593248175 994469802 /nfs/dbraw/zinc/46/98/02/994469802.db2.gz JULYBEYSVHCIQO-HBNTYKKESA-N 1 2 240.347 1.170 20 0 BDADLO C[C@@H]1CC2(C[N@@H+]1Cc1nnc[nH]1)CCOCC2 ZINC001333604186 994483044 /nfs/dbraw/zinc/48/30/44/994483044.db2.gz FEVHGOYJDWTAJB-SNVBAGLBSA-N 1 2 236.319 1.196 20 0 BDADLO C[C@@H]1CC2(C[N@H+]1Cc1nnc[nH]1)CCOCC2 ZINC001333604186 994483057 /nfs/dbraw/zinc/48/30/57/994483057.db2.gz FEVHGOYJDWTAJB-SNVBAGLBSA-N 1 2 236.319 1.196 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CC[N@H+]2CC)n(C)n1 ZINC001293501353 994655818 /nfs/dbraw/zinc/65/58/18/994655818.db2.gz SWNIVFRKZYFNBO-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CC[N@@H+]2CC)n(C)n1 ZINC001293501353 994655826 /nfs/dbraw/zinc/65/58/26/994655826.db2.gz SWNIVFRKZYFNBO-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO CC[C@](C)(CNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001298203529 994911169 /nfs/dbraw/zinc/91/11/69/994911169.db2.gz LONONJVNDHDGSB-GFCCVEGCSA-N 1 2 239.319 1.274 20 0 BDADLO CC[C@](C)(CNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001298203529 994911188 /nfs/dbraw/zinc/91/11/88/994911188.db2.gz LONONJVNDHDGSB-GFCCVEGCSA-N 1 2 239.319 1.274 20 0 BDADLO O=C(Nc1ccsn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001302924824 995131449 /nfs/dbraw/zinc/13/14/49/995131449.db2.gz SWSMATWYFZRDDD-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2C[C@H]2F)[nH+]1 ZINC001304108569 995189214 /nfs/dbraw/zinc/18/92/14/995189214.db2.gz VYVDFEPANYTKSA-RKDXNWHRSA-N 1 2 225.267 1.507 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2C[C@H]2F)c[nH+]1 ZINC001304108569 995189221 /nfs/dbraw/zinc/18/92/21/995189221.db2.gz VYVDFEPANYTKSA-RKDXNWHRSA-N 1 2 225.267 1.507 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCO[C@H](C)C1 ZINC001339103328 995252244 /nfs/dbraw/zinc/25/22/44/995252244.db2.gz OBEBYCZMVUNLPG-NEPJUHHUSA-N 1 2 248.326 1.874 20 0 BDADLO Nc1ccc(CNc2cc(F)ncn2)c[nH+]1 ZINC001307097421 995284051 /nfs/dbraw/zinc/28/40/51/995284051.db2.gz VMRUOQKWQOACDV-UHFFFAOYSA-N 1 2 219.223 1.205 20 0 BDADLO C[C@@H](c1csnn1)[NH+]1CCC(CCO)CC1 ZINC001307463182 995357343 /nfs/dbraw/zinc/35/73/43/995357343.db2.gz JUSDWDWBGYYDAW-VIFPVBQESA-N 1 2 241.360 1.694 20 0 BDADLO CC[C@@H]([NH2+]CCOCC(F)F)c1noc(C)n1 ZINC001307671847 995430197 /nfs/dbraw/zinc/43/01/97/995430197.db2.gz ZWLVFVGIVQQLCI-MRVPVSSYSA-N 1 2 249.261 1.700 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001307724416 995443680 /nfs/dbraw/zinc/44/36/80/995443680.db2.gz PIGGENJHIVOQBB-GZMMTYOYSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001307724416 995443686 /nfs/dbraw/zinc/44/36/86/995443686.db2.gz PIGGENJHIVOQBB-GZMMTYOYSA-N 1 2 239.344 1.446 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC001307832872 995475553 /nfs/dbraw/zinc/47/55/53/995475553.db2.gz VDZRWFOXVIHYRY-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCCc3occc32)n1 ZINC000286920784 398136019 /nfs/dbraw/zinc/13/60/19/398136019.db2.gz FPLRHPKUGQWIHT-LLVKDONJSA-N 1 2 232.287 1.575 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621984981 370644571 /nfs/dbraw/zinc/64/45/71/370644571.db2.gz PFBGFLQNQVOJCY-IUCAKERBSA-N 1 2 221.304 1.697 20 0 BDADLO Cc1cc(N2CCC[C@H]2C(N)=O)nc(C2CC2)[nH+]1 ZINC000408180123 136212150 /nfs/dbraw/zinc/21/21/50/136212150.db2.gz MUCMGSIDNPYHNM-JTQLQIEISA-N 1 2 246.314 1.117 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000649318328 398142669 /nfs/dbraw/zinc/14/26/69/398142669.db2.gz XNBWGVYJRPDSTM-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000649318328 398142671 /nfs/dbraw/zinc/14/26/71/398142671.db2.gz XNBWGVYJRPDSTM-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO Cc1nc(N2C[C@@H]3COC[C@H](C2)O3)c(C)c(C)[nH+]1 ZINC000337781782 398144063 /nfs/dbraw/zinc/14/40/63/398144063.db2.gz BOOSLNLPJHIRTH-TXEJJXNPSA-N 1 2 249.314 1.006 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1F ZINC000161608210 349484580 /nfs/dbraw/zinc/48/45/80/349484580.db2.gz BIJWSXAPRMYSDE-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1F ZINC000161608210 349484584 /nfs/dbraw/zinc/48/45/84/349484584.db2.gz BIJWSXAPRMYSDE-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649863556 398144901 /nfs/dbraw/zinc/14/49/01/398144901.db2.gz IOYKBSREDRAMQW-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649863556 398144905 /nfs/dbraw/zinc/14/49/05/398144905.db2.gz IOYKBSREDRAMQW-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCC1(O)CN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000297510401 398145232 /nfs/dbraw/zinc/14/52/32/398145232.db2.gz VVWQLGDLXZUPBT-UHFFFAOYSA-N 1 2 249.314 1.687 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421375236 192322861 /nfs/dbraw/zinc/32/28/61/192322861.db2.gz CHVHQNXAXMJHPL-VIFPVBQESA-N 1 2 245.754 1.585 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421375236 192322863 /nfs/dbraw/zinc/32/28/63/192322863.db2.gz CHVHQNXAXMJHPL-VIFPVBQESA-N 1 2 245.754 1.585 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000649333860 398150598 /nfs/dbraw/zinc/15/05/98/398150598.db2.gz HTVGTUHZPJWJIB-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000649333860 398150600 /nfs/dbraw/zinc/15/06/00/398150600.db2.gz HTVGTUHZPJWJIB-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H](C)CCO)s1 ZINC000649869371 398154531 /nfs/dbraw/zinc/15/45/31/398154531.db2.gz BGHKRHDZTPLBMX-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H](C)CCO)s1 ZINC000649869371 398154533 /nfs/dbraw/zinc/15/45/33/398154533.db2.gz BGHKRHDZTPLBMX-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](O)C1 ZINC000649893556 398168290 /nfs/dbraw/zinc/16/82/90/398168290.db2.gz JPYVUTQWWFGOSH-JGVFFNPUSA-N 1 2 213.306 1.056 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](O)C1 ZINC000649893556 398168294 /nfs/dbraw/zinc/16/82/94/398168294.db2.gz JPYVUTQWWFGOSH-JGVFFNPUSA-N 1 2 213.306 1.056 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000415158997 398168695 /nfs/dbraw/zinc/16/86/95/398168695.db2.gz GBEMECGRZJTDPZ-LBPRGKRZSA-N 1 2 236.315 1.812 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccnc2N(C)C)no1 ZINC000342028036 178025977 /nfs/dbraw/zinc/02/59/77/178025977.db2.gz RKGBPVAFJKSPAY-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000649899450 398169693 /nfs/dbraw/zinc/16/96/93/398169693.db2.gz GDCPBPZTBWIYJU-JTQLQIEISA-N 1 2 243.257 1.863 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000649899450 398169695 /nfs/dbraw/zinc/16/96/95/398169695.db2.gz GDCPBPZTBWIYJU-JTQLQIEISA-N 1 2 243.257 1.863 20 0 BDADLO Cc1cc(C[NH2+][C@H](CO)c2ccccc2)nn1C ZINC000359510464 178038743 /nfs/dbraw/zinc/03/87/43/178038743.db2.gz HQFSPHKFGHBXOW-CQSZACIVSA-N 1 2 245.326 1.552 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2CCC[C@H]2O)c1Cl ZINC000277871833 398179303 /nfs/dbraw/zinc/17/93/03/398179303.db2.gz SADFZRYETOZQPH-PHDIDXHHSA-N 1 2 228.683 1.038 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2CCC[C@H]2O)c1Cl ZINC000277871833 398179306 /nfs/dbraw/zinc/17/93/06/398179306.db2.gz SADFZRYETOZQPH-PHDIDXHHSA-N 1 2 228.683 1.038 20 0 BDADLO CC(C)CC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649881592 398161407 /nfs/dbraw/zinc/16/14/07/398161407.db2.gz AIMAEMPSAKXJTJ-ZDUSSCGKSA-N 1 2 237.347 1.840 20 0 BDADLO CC(C)CC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649881592 398161411 /nfs/dbraw/zinc/16/14/11/398161411.db2.gz AIMAEMPSAKXJTJ-ZDUSSCGKSA-N 1 2 237.347 1.840 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CC1(C)CCC1 ZINC000649884860 398163672 /nfs/dbraw/zinc/16/36/72/398163672.db2.gz BZCFAPIGXILHKI-CYBMUJFWSA-N 1 2 249.358 1.984 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CC1(C)CCC1 ZINC000649884860 398163676 /nfs/dbraw/zinc/16/36/76/398163676.db2.gz BZCFAPIGXILHKI-CYBMUJFWSA-N 1 2 249.358 1.984 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000127368019 178085191 /nfs/dbraw/zinc/08/51/91/178085191.db2.gz AQTHBSBWICOEAO-UHFFFAOYSA-N 1 2 236.290 1.408 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000127368019 178085193 /nfs/dbraw/zinc/08/51/93/178085193.db2.gz AQTHBSBWICOEAO-UHFFFAOYSA-N 1 2 236.290 1.408 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000649943020 398193250 /nfs/dbraw/zinc/19/32/50/398193250.db2.gz RDMYHBLRUAVEMU-KXUCPTDWSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000649943020 398193254 /nfs/dbraw/zinc/19/32/54/398193254.db2.gz RDMYHBLRUAVEMU-KXUCPTDWSA-N 1 2 216.300 1.333 20 0 BDADLO Cc1cc(N(C)CCc2ccncc2)nc[nH+]1 ZINC000112554056 178098138 /nfs/dbraw/zinc/09/81/38/178098138.db2.gz ZTHOJASIKVZBCT-UHFFFAOYSA-N 1 2 228.299 1.859 20 0 BDADLO Cc1ccccc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000073172219 398195184 /nfs/dbraw/zinc/19/51/84/398195184.db2.gz CXYWMENJVZKHII-UHFFFAOYSA-N 1 2 243.310 1.850 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(O)CCSC2)cc[nH+]1 ZINC000270993281 538923300 /nfs/dbraw/zinc/92/33/00/538923300.db2.gz OFJFUJXQMZISOT-LLVKDONJSA-N 1 2 238.312 1.197 20 0 BDADLO Cc1cc(N)nc(S[C@@H]2CCOC2)[nH+]1 ZINC000148596479 178110306 /nfs/dbraw/zinc/11/03/06/178110306.db2.gz XEEGYNBBPULMDV-SSDOTTSWSA-N 1 2 211.290 1.248 20 0 BDADLO Cc1nc(C)n(C2CN(c3cc(C)[nH+]cn3)C2)n1 ZINC000328824244 178113161 /nfs/dbraw/zinc/11/31/61/178113161.db2.gz RLUQMLRDKCBXNH-UHFFFAOYSA-N 1 2 244.302 1.055 20 0 BDADLO Cc1cc(N2CC(O)(C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000364752437 178113249 /nfs/dbraw/zinc/11/32/49/178113249.db2.gz WYWTZZAPPDBGQM-UHFFFAOYSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1cc(N2CCC[C@H]2CCO)nc[nH+]1 ZINC000336656106 178115578 /nfs/dbraw/zinc/11/55/78/178115578.db2.gz AFGCPQIZGSLHHQ-JTQLQIEISA-N 1 2 207.277 1.136 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OC ZINC000342709901 365556948 /nfs/dbraw/zinc/55/69/48/365556948.db2.gz NUKNMJHVTWSYKH-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cc(N2CC[C@H]([C@@H](C)O)C2)nc(C2CC2)[nH+]1 ZINC000180312467 178119619 /nfs/dbraw/zinc/11/96/19/178119619.db2.gz CBQVREKGIXGDPR-PWSUYJOCSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2C[C@@H](O)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000350701116 178120651 /nfs/dbraw/zinc/12/06/51/178120651.db2.gz LVVGFYURSKGLHT-QWRGUYRKSA-N 1 2 235.331 1.868 20 0 BDADLO c1snnc1C[NH+]1CCC2(CC2)CC1 ZINC000649400092 398202284 /nfs/dbraw/zinc/20/22/84/398202284.db2.gz RGIIUIPARDSFRE-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cc(C)on1 ZINC000162687263 538924576 /nfs/dbraw/zinc/92/45/76/538924576.db2.gz YDSGLCPXGDVURP-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO Cc1nc(N[C@H](C)CCC(C)(C)C)nc(N)[nH+]1 ZINC000386275632 398204359 /nfs/dbraw/zinc/20/43/59/398204359.db2.gz PVFSLDIKXZPDMA-MRVPVSSYSA-N 1 2 237.351 1.641 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)CCC(C)(C)C)[nH+]1 ZINC000386275632 398204362 /nfs/dbraw/zinc/20/43/62/398204362.db2.gz PVFSLDIKXZPDMA-MRVPVSSYSA-N 1 2 237.351 1.641 20 0 BDADLO Cc1cc(NC(=O)CCc2ccnn2C)cc[nH+]1 ZINC000186025258 178128822 /nfs/dbraw/zinc/12/88/22/178128822.db2.gz LIWBFFXFHSJHFV-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCCC3(CC3)C2)no1 ZINC000186976996 178130040 /nfs/dbraw/zinc/13/00/40/178130040.db2.gz OJCRBGJJHGWRBR-UHFFFAOYSA-N 1 2 249.314 1.798 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCCC3(CC3)C2)no1 ZINC000186976996 178130042 /nfs/dbraw/zinc/13/00/42/178130042.db2.gz OJCRBGJJHGWRBR-UHFFFAOYSA-N 1 2 249.314 1.798 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)no1 ZINC000292919444 178133082 /nfs/dbraw/zinc/13/30/82/178133082.db2.gz GBQPVUKOZJNLMC-IONNQARKSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)no1 ZINC000292919444 178133084 /nfs/dbraw/zinc/13/30/84/178133084.db2.gz GBQPVUKOZJNLMC-IONNQARKSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)N(C)C[C@H](C)O)cc[nH+]1 ZINC000119923127 178135243 /nfs/dbraw/zinc/13/52/43/178135243.db2.gz CKEKGCUBJVGFCY-VIFPVBQESA-N 1 2 223.276 1.235 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](O)C(C)(C)C2)cc[nH+]1 ZINC000279557484 178137584 /nfs/dbraw/zinc/13/75/84/178137584.db2.gz NCCDVVQTGLEHFM-NSHDSACASA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CC[C@H](O)C2)cc[nH+]1 ZINC000189824799 178140875 /nfs/dbraw/zinc/14/08/75/178140875.db2.gz LCCPDYPLVAAKIY-PWSUYJOCSA-N 1 2 249.314 1.673 20 0 BDADLO Cc1[nH]ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000426216437 398215461 /nfs/dbraw/zinc/21/54/61/398215461.db2.gz QLEMTBVZSJPIMM-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000647864551 398217236 /nfs/dbraw/zinc/21/72/36/398217236.db2.gz GSUQIZSWELUPAX-LLVKDONJSA-N 1 2 248.330 1.515 20 0 BDADLO CCC[C@H]1C[C@@H]1NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000576356451 365575723 /nfs/dbraw/zinc/57/57/23/365575723.db2.gz CXVZFAMVOQBFMH-SRVKXCTJSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(NCCCO[C@H]2CCOC2)nc[nH+]1 ZINC000301603101 178160432 /nfs/dbraw/zinc/16/04/32/178160432.db2.gz KTLSCRSZLJELQN-NSHDSACASA-N 1 2 237.303 1.393 20 0 BDADLO Nc1nc(N2CC[C@H](F)C2)[nH+]c2ccccc12 ZINC000649419748 398220462 /nfs/dbraw/zinc/22/04/62/398220462.db2.gz XXHZYSIPNBQXEF-QMMMGPOBSA-N 1 2 232.262 1.591 20 0 BDADLO Cc1nc(N[C@H]2CC23CCCCC3)nc(N)[nH+]1 ZINC000386846925 398220919 /nfs/dbraw/zinc/22/09/19/398220919.db2.gz CCSNAYJYSZREEW-VIFPVBQESA-N 1 2 233.319 1.727 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CC23CCCCC3)[nH+]1 ZINC000386846925 398220922 /nfs/dbraw/zinc/22/09/22/398220922.db2.gz CCSNAYJYSZREEW-VIFPVBQESA-N 1 2 233.319 1.727 20 0 BDADLO Cc1cc(NCc2nc(C3CC3)no2)nc[nH+]1 ZINC000301232468 178176377 /nfs/dbraw/zinc/17/63/77/178176377.db2.gz JUYQUIHNEGNFRA-UHFFFAOYSA-N 1 2 231.259 1.658 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000649421074 398223744 /nfs/dbraw/zinc/22/37/44/398223744.db2.gz XLNOUSWKADELQQ-LBPRGKRZSA-N 1 2 243.314 1.264 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000649421074 398223749 /nfs/dbraw/zinc/22/37/49/398223749.db2.gz XLNOUSWKADELQQ-LBPRGKRZSA-N 1 2 243.314 1.264 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000649421074 398223752 /nfs/dbraw/zinc/22/37/52/398223752.db2.gz XLNOUSWKADELQQ-LBPRGKRZSA-N 1 2 243.314 1.264 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000649421074 398223755 /nfs/dbraw/zinc/22/37/55/398223755.db2.gz XLNOUSWKADELQQ-LBPRGKRZSA-N 1 2 243.314 1.264 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000649421074 398223758 /nfs/dbraw/zinc/22/37/58/398223758.db2.gz XLNOUSWKADELQQ-LBPRGKRZSA-N 1 2 243.314 1.264 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000649421074 398223763 /nfs/dbraw/zinc/22/37/63/398223763.db2.gz XLNOUSWKADELQQ-LBPRGKRZSA-N 1 2 243.314 1.264 20 0 BDADLO Cc1cc(N[C@H](C)CO)nc(-c2ccncc2)[nH+]1 ZINC000112073735 178185811 /nfs/dbraw/zinc/18/58/11/178185811.db2.gz JZYQIGUMASTBMF-SNVBAGLBSA-N 1 2 244.298 1.640 20 0 BDADLO Cn1ccnc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000264062488 398223970 /nfs/dbraw/zinc/22/39/70/398223970.db2.gz XPPWPRYJCANYRJ-CYBMUJFWSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1ccnc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000264062488 398223974 /nfs/dbraw/zinc/22/39/74/398223974.db2.gz XPPWPRYJCANYRJ-CYBMUJFWSA-N 1 2 245.326 1.586 20 0 BDADLO Cc1cc(N[C@H](C)c2nnc3n2CCC3)nc[nH+]1 ZINC000302026673 178186990 /nfs/dbraw/zinc/18/69/90/178186990.db2.gz HDIYIKUKNWQLLF-SECBINFHSA-N 1 2 244.302 1.496 20 0 BDADLO Cc1cc(N[C@H](CO)CC(C)C)nc[nH+]1 ZINC000040778889 178186998 /nfs/dbraw/zinc/18/69/98/178186998.db2.gz CWUMHKZZXXIIJJ-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO Cn1ccnc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000264062490 398224321 /nfs/dbraw/zinc/22/43/21/398224321.db2.gz XPPWPRYJCANYRJ-ZDUSSCGKSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1ccnc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000264062490 398224323 /nfs/dbraw/zinc/22/43/23/398224323.db2.gz XPPWPRYJCANYRJ-ZDUSSCGKSA-N 1 2 245.326 1.586 20 0 BDADLO Cc1cc(N[C@H]2CSC[C@@H]2C)nc[nH+]1 ZINC000307484199 178189941 /nfs/dbraw/zinc/18/99/41/178189941.db2.gz ANTSUZPIQVTWDA-CBAPKCEASA-N 1 2 209.318 1.948 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCC[C@H]1F)n1cc[nH+]c1 ZINC000650060072 398229520 /nfs/dbraw/zinc/22/95/20/398229520.db2.gz CJHKOCQPAHWJRR-AXFHLTTASA-N 1 2 239.294 1.841 20 0 BDADLO Cc1cc(=O)[nH]cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000283699485 178205485 /nfs/dbraw/zinc/20/54/85/178205485.db2.gz IGKFKRBSEBXUEL-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO CCC[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276453514 538932244 /nfs/dbraw/zinc/93/22/44/538932244.db2.gz NQSPSMFNYCPVKC-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO CCC[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276453514 538932246 /nfs/dbraw/zinc/93/22/46/538932246.db2.gz NQSPSMFNYCPVKC-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2snnc2C)no1 ZINC000293694604 178228373 /nfs/dbraw/zinc/22/83/73/178228373.db2.gz OAPIWHQTUBYTGH-SSDOTTSWSA-N 1 2 238.316 1.994 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nnnn2C)c(C)o1 ZINC000330864125 178229653 /nfs/dbraw/zinc/22/96/53/178229653.db2.gz RBBTVXXJOROAOH-MRVPVSSYSA-N 1 2 235.291 1.271 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000280279574 538937167 /nfs/dbraw/zinc/93/71/67/538937167.db2.gz WIMOQKLHCGGSGL-PHIMTYICSA-N 1 2 233.315 1.457 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000280279574 538937169 /nfs/dbraw/zinc/93/71/69/538937169.db2.gz WIMOQKLHCGGSGL-PHIMTYICSA-N 1 2 233.315 1.457 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCSC1 ZINC000334494828 136226176 /nfs/dbraw/zinc/22/61/76/136226176.db2.gz IFFJGGACBIQECX-SNVBAGLBSA-N 1 2 236.340 1.758 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)no1 ZINC000330387620 178245367 /nfs/dbraw/zinc/24/53/67/178245367.db2.gz WBBMXZFJGBFSRX-VIFPVBQESA-N 1 2 239.319 1.548 20 0 BDADLO CCc1cc(N2CC(=O)N(C3CC3)C2)nc(C)[nH+]1 ZINC000279062484 538935245 /nfs/dbraw/zinc/93/52/45/538935245.db2.gz ITRZUUFMMVZNFB-UHFFFAOYSA-N 1 2 246.314 1.116 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ncc[nH]1 ZINC000279146488 538935701 /nfs/dbraw/zinc/93/57/01/538935701.db2.gz ZRPDBIKPTILFDA-CMPLNLGQSA-N 1 2 231.299 1.794 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2ccn(C)n2)nn1C ZINC000337469352 178252051 /nfs/dbraw/zinc/25/20/51/178252051.db2.gz MVSADQURCRYMJH-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1nc(NCCC[C@H](C)CO)cc[nH+]1 ZINC000230146829 136227955 /nfs/dbraw/zinc/22/79/55/136227955.db2.gz YSWWWFIRJJPCGL-VIFPVBQESA-N 1 2 209.293 1.606 20 0 BDADLO Cc1cc[nH]c1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000280780416 178308667 /nfs/dbraw/zinc/30/86/67/178308667.db2.gz BCUUKCGNILZXPA-UHFFFAOYSA-N 1 2 246.314 1.682 20 0 BDADLO O[C@H](C[NH+]1CC(C(F)(F)F)C1)C(F)(F)F ZINC000576670033 365653585 /nfs/dbraw/zinc/65/35/85/365653585.db2.gz FRDVOZZXBOWFHE-RXMQYKEDSA-N 1 2 237.143 1.404 20 0 BDADLO Cc1cc[nH]c1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000280668912 178313033 /nfs/dbraw/zinc/31/30/33/178313033.db2.gz PQRNHTWZPYTISK-JTQLQIEISA-N 1 2 246.314 1.586 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C1CCC1 ZINC000576679833 365654913 /nfs/dbraw/zinc/65/49/13/365654913.db2.gz QYZGMGFPJDPXFC-GFCCVEGCSA-N 1 2 233.315 1.674 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C1CCC1 ZINC000576679834 365655336 /nfs/dbraw/zinc/65/53/36/365655336.db2.gz QYZGMGFPJDPXFC-LBPRGKRZSA-N 1 2 233.315 1.674 20 0 BDADLO CS(=O)(=O)C[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000564718999 323006034 /nfs/dbraw/zinc/00/60/34/323006034.db2.gz WPDHSNUYJZPFLY-JTQLQIEISA-N 1 2 249.351 1.245 20 0 BDADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000564718999 323006035 /nfs/dbraw/zinc/00/60/35/323006035.db2.gz WPDHSNUYJZPFLY-JTQLQIEISA-N 1 2 249.351 1.245 20 0 BDADLO CN(CC(C)(C)C)C(=O)NCc1c[nH+]cn1C ZINC000290131611 538946112 /nfs/dbraw/zinc/94/61/12/538946112.db2.gz HKBUIPDZUCFBOF-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO Cc1ccnc(NC(=O)NCc2c[nH+]cn2C)c1 ZINC000290047889 538946329 /nfs/dbraw/zinc/94/63/29/538946329.db2.gz AXGNZOCOOABKGY-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])CO)n2)cc1 ZINC000021501851 178344072 /nfs/dbraw/zinc/34/40/72/178344072.db2.gz BHLWLYXLLSHDIL-VIFPVBQESA-N 1 2 219.244 1.037 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335065022 136232597 /nfs/dbraw/zinc/23/25/97/136232597.db2.gz HAYFGKMLAJSNAB-SNVBAGLBSA-N 1 2 233.670 1.839 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335065022 136232598 /nfs/dbraw/zinc/23/25/98/136232598.db2.gz HAYFGKMLAJSNAB-SNVBAGLBSA-N 1 2 233.670 1.839 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)c(O)c1C ZINC000298710577 178393090 /nfs/dbraw/zinc/39/30/90/178393090.db2.gz WVZLQJXPUPXJGP-UHFFFAOYSA-N 1 2 248.326 1.397 20 0 BDADLO COCCCn1nccc1CNc1c[nH]c[nH+]1 ZINC000576794818 365686557 /nfs/dbraw/zinc/68/65/57/365686557.db2.gz IFBNSPVHEGKBSX-UHFFFAOYSA-N 1 2 235.291 1.255 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cncnc1 ZINC000179587512 538955526 /nfs/dbraw/zinc/95/55/26/538955526.db2.gz IVZXUZYOJVPQER-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cncnc1 ZINC000179587512 538955527 /nfs/dbraw/zinc/95/55/27/538955527.db2.gz IVZXUZYOJVPQER-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCOC)[C@H](C)CC ZINC000053257496 346845528 /nfs/dbraw/zinc/84/55/28/346845528.db2.gz XXTKDIGFLOXATQ-NXEZZACHSA-N 1 2 217.309 1.200 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCOCC12CCC2 ZINC000180321538 538957889 /nfs/dbraw/zinc/95/78/89/538957889.db2.gz SCZUGFQPOPHJRX-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCOCC12CCC2 ZINC000180321538 538957891 /nfs/dbraw/zinc/95/78/91/538957891.db2.gz SCZUGFQPOPHJRX-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO C[C@@H]([NH2+]CC(C)(F)F)c1cnn(C)c1 ZINC000378860235 346847864 /nfs/dbraw/zinc/84/78/64/346847864.db2.gz ONENGIBGFWBREL-SSDOTTSWSA-N 1 2 203.236 1.726 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000180927735 538959416 /nfs/dbraw/zinc/95/94/16/538959416.db2.gz YGQUTFWOKMOWIS-WPRPVWTQSA-N 1 2 248.330 1.132 20 0 BDADLO CCOC(=O)CN(CC)Cc1[nH]cc(C)[nH+]1 ZINC000600114457 342672416 /nfs/dbraw/zinc/67/24/16/342672416.db2.gz ICTLVTMOGISEJT-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)no1 ZINC000044590181 342690722 /nfs/dbraw/zinc/69/07/22/342690722.db2.gz BGXVMNUUDRTMDE-NSHDSACASA-N 1 2 237.303 1.208 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)no1 ZINC000044590181 342690723 /nfs/dbraw/zinc/69/07/23/342690723.db2.gz BGXVMNUUDRTMDE-NSHDSACASA-N 1 2 237.303 1.208 20 0 BDADLO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)[C@@H]1CCCO1 ZINC000183107998 538966036 /nfs/dbraw/zinc/96/60/36/538966036.db2.gz QFNSLZYXYSLNJA-SCZZXKLOSA-N 1 2 237.303 1.604 20 0 BDADLO Cc1nc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cs1 ZINC000583943421 342729493 /nfs/dbraw/zinc/72/94/93/342729493.db2.gz JIGITKXXQDYZQB-QMMMGPOBSA-N 1 2 239.344 1.730 20 0 BDADLO Cc1nc(NCc2cccc3[nH+]ccn32)n(C)n1 ZINC000184308675 538968379 /nfs/dbraw/zinc/96/83/79/538968379.db2.gz SWHFSMUYZYQKLE-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000348743872 136237619 /nfs/dbraw/zinc/23/76/19/136237619.db2.gz QJCXAYHJCGWIOM-IUCAKERBSA-N 1 2 246.314 1.880 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683215 398284720 /nfs/dbraw/zinc/28/47/20/398284720.db2.gz MTPKGPOEXFPXAG-JTQLQIEISA-N 1 2 245.273 1.889 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683215 398284721 /nfs/dbraw/zinc/28/47/21/398284721.db2.gz MTPKGPOEXFPXAG-JTQLQIEISA-N 1 2 245.273 1.889 20 0 BDADLO CCCn1nc(C)c(C[NH+]2CC(C)(O)C2)c1C ZINC000639254032 398285228 /nfs/dbraw/zinc/28/52/28/398285228.db2.gz XHPUEVRSEWGCJX-UHFFFAOYSA-N 1 2 237.347 1.477 20 0 BDADLO COc1cccc(C[NH+]2CC(C)(O)C2)c1OC ZINC000639254215 398285601 /nfs/dbraw/zinc/28/56/01/398285601.db2.gz OKOSCGHTWHMWBE-UHFFFAOYSA-N 1 2 237.299 1.270 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC(C1CC1)C1CC1 ZINC000043310665 342793032 /nfs/dbraw/zinc/79/30/32/342793032.db2.gz POTYDXPJXLEWTF-UHFFFAOYSA-N 1 2 248.330 1.371 20 0 BDADLO CCO[C@@H](CC(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000348766869 136238187 /nfs/dbraw/zinc/23/81/87/136238187.db2.gz XQGVLLDLRUPDCV-JTQLQIEISA-N 1 2 239.319 1.477 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)[C@@H]1CCOC1 ZINC000106885999 398286568 /nfs/dbraw/zinc/28/65/68/398286568.db2.gz MKGTWAWTCQKPDY-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1CCOC1 ZINC000106885999 398286570 /nfs/dbraw/zinc/28/65/70/398286570.db2.gz MKGTWAWTCQKPDY-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO FC(F)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186239154 538972277 /nfs/dbraw/zinc/97/22/77/538972277.db2.gz YTGTXUQPRNEOKB-UHFFFAOYSA-N 1 2 230.262 1.255 20 0 BDADLO CC(C)c1[nH+]cc(-c2nccn2C)n1C ZINC000630051994 361919733 /nfs/dbraw/zinc/91/97/33/361919733.db2.gz GUURLMPGXGPOJV-UHFFFAOYSA-N 1 2 204.277 1.944 20 0 BDADLO Cc1nc2cc(-c3[nH+]ccn3C)cnc2n1C ZINC000630053405 361923943 /nfs/dbraw/zinc/92/39/43/361923943.db2.gz UUOLVMUAJXKUIX-UHFFFAOYSA-N 1 2 227.271 1.677 20 0 BDADLO CCc1nc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc(C)[nH+]1 ZINC000624754311 342824835 /nfs/dbraw/zinc/82/48/35/342824835.db2.gz XJIQEZOJARWGLK-MISXGVKJSA-N 1 2 247.342 1.697 20 0 BDADLO Cc1cc(N[C@H]2CCN(C3CCC3)C2=O)nc[nH+]1 ZINC000624780908 342828446 /nfs/dbraw/zinc/82/84/46/342828446.db2.gz DZJHPDJIYKXVEE-NSHDSACASA-N 1 2 246.314 1.350 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOCC(F)F ZINC000188744493 538979773 /nfs/dbraw/zinc/97/97/73/538979773.db2.gz PMOSCMRWLVMVSL-ZETCQYMHSA-N 1 2 233.262 1.650 20 0 BDADLO Cc1nc(N2CC3(C2)CCCO3)cc[nH+]1 ZINC000624542973 344004691 /nfs/dbraw/zinc/00/46/91/344004691.db2.gz FJARAKFMHUHZML-UHFFFAOYSA-N 1 2 205.261 1.154 20 0 BDADLO Fc1c[nH+]ccc1NCCCn1cccn1 ZINC000381615048 539004475 /nfs/dbraw/zinc/00/44/75/539004475.db2.gz USZOIQFOUPKMTO-UHFFFAOYSA-N 1 2 220.251 1.341 20 0 BDADLO Cn1cnc(C[NH2+][C@@H](CO)c2ccsc2)c1 ZINC000381594142 539004936 /nfs/dbraw/zinc/00/49/36/539004936.db2.gz KTLCAIPZOPEAAR-NSHDSACASA-N 1 2 237.328 1.305 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C[C@H]1F ZINC000381690541 539005964 /nfs/dbraw/zinc/00/59/64/539005964.db2.gz ZRRQKZQEHCJBPV-RNFRBKRXSA-N 1 2 244.701 1.897 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C[C@H]1F ZINC000381690541 539005965 /nfs/dbraw/zinc/00/59/65/539005965.db2.gz ZRRQKZQEHCJBPV-RNFRBKRXSA-N 1 2 244.701 1.897 20 0 BDADLO CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000640724941 361963023 /nfs/dbraw/zinc/96/30/23/361963023.db2.gz MASVEYGPELUCIL-AEJSXWLSSA-N 1 2 221.304 1.879 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068255973 342835487 /nfs/dbraw/zinc/83/54/87/342835487.db2.gz APVPLSFSYPEBIZ-SMDDNHRTSA-N 1 2 244.338 1.774 20 0 BDADLO COc1ccsc1C[NH2+]Cc1cn(C)nn1 ZINC000381307409 538997689 /nfs/dbraw/zinc/99/76/89/538997689.db2.gz KYDMPBXWPXWUCY-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO Cn1cc(C[NH2+]Cc2cccc(F)c2F)nn1 ZINC000389815502 539017543 /nfs/dbraw/zinc/01/75/43/539017543.db2.gz OHZIEONZZYYQNX-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000335645698 136243376 /nfs/dbraw/zinc/24/33/76/136243376.db2.gz IICXZTGWNTWNHG-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000335645698 136243377 /nfs/dbraw/zinc/24/33/77/136243377.db2.gz IICXZTGWNTWNHG-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO FC(F)OC[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000348871329 136242720 /nfs/dbraw/zinc/24/27/20/136242720.db2.gz WKWVPSYWVWSCBH-ZETCQYMHSA-N 1 2 249.286 1.599 20 0 BDADLO FC(F)OC[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000348871329 136242721 /nfs/dbraw/zinc/24/27/21/136242721.db2.gz WKWVPSYWVWSCBH-ZETCQYMHSA-N 1 2 249.286 1.599 20 0 BDADLO FC(F)OC[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000348871328 136242793 /nfs/dbraw/zinc/24/27/93/136242793.db2.gz WKWVPSYWVWSCBH-SSDOTTSWSA-N 1 2 249.286 1.599 20 0 BDADLO FC(F)OC[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000348871328 136242794 /nfs/dbraw/zinc/24/27/94/136242794.db2.gz WKWVPSYWVWSCBH-SSDOTTSWSA-N 1 2 249.286 1.599 20 0 BDADLO CC[C@]1(C)COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493501109 529407965 /nfs/dbraw/zinc/40/79/65/529407965.db2.gz UFJQBWKDDYPHLQ-DSYXLKISSA-N 1 2 249.314 1.450 20 0 BDADLO CSC[C@H](CCO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134571030 342868860 /nfs/dbraw/zinc/86/88/60/342868860.db2.gz OTAKXEAOHXRLDP-SCZZXKLOSA-N 1 2 243.376 1.483 20 0 BDADLO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134568956 342868886 /nfs/dbraw/zinc/86/88/86/342868886.db2.gz OLGLXOFTJQSZGG-OVYXKVPISA-N 1 2 243.376 1.481 20 0 BDADLO O=C1CC[N@H+](Cc2c(F)cccc2F)CCN1 ZINC000093101949 398308591 /nfs/dbraw/zinc/30/85/91/398308591.db2.gz RWBNGTJOHZAAIB-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO O=C1CC[N@@H+](Cc2c(F)cccc2F)CCN1 ZINC000093101949 398308593 /nfs/dbraw/zinc/30/85/93/398308593.db2.gz RWBNGTJOHZAAIB-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621893441 398310255 /nfs/dbraw/zinc/31/02/55/398310255.db2.gz LFNLAZNVDGESDU-SECBINFHSA-N 1 2 221.304 1.698 20 0 BDADLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000625164623 342898619 /nfs/dbraw/zinc/89/86/19/342898619.db2.gz QAWDTJDGAHCJCM-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO CC(C)(C(=O)N1CCC[C@H]1CF)c1c[nH+]c[nH]1 ZINC000336475849 398319609 /nfs/dbraw/zinc/31/96/09/398319609.db2.gz YCVUYVIKJHZYNS-VIFPVBQESA-N 1 2 239.294 1.648 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@H]1C)CC2 ZINC000625190553 342905509 /nfs/dbraw/zinc/90/55/09/342905509.db2.gz CGFLEYFYDCDGTC-FBIMIBRVSA-N 1 2 233.315 1.279 20 0 BDADLO CCOC1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000584015713 342903707 /nfs/dbraw/zinc/90/37/07/342903707.db2.gz TWFLIGJFQGOZSJ-SNVBAGLBSA-N 1 2 249.314 1.077 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1CCCC1 ZINC000030989561 398324366 /nfs/dbraw/zinc/32/43/66/398324366.db2.gz MQZOJQWNWFNLKV-UHFFFAOYSA-N 1 2 222.292 1.125 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccns1 ZINC000602616247 349638346 /nfs/dbraw/zinc/63/83/46/349638346.db2.gz SPQCILTYYLZKNE-RMLUDKJBSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccns1 ZINC000602616247 349638348 /nfs/dbraw/zinc/63/83/48/349638348.db2.gz SPQCILTYYLZKNE-RMLUDKJBSA-N 1 2 232.374 1.342 20 0 BDADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C12CC(C1)C2 ZINC000625240625 342929596 /nfs/dbraw/zinc/92/95/96/342929596.db2.gz HMCYGTSOGRGEFV-MBHSVXNSSA-N 1 2 245.326 1.847 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1N ZINC000602637947 349652398 /nfs/dbraw/zinc/65/23/98/349652398.db2.gz KWAVKZYYYHEJMZ-MRVPVSSYSA-N 1 2 240.278 1.401 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1N ZINC000602637947 349652400 /nfs/dbraw/zinc/65/24/00/349652400.db2.gz KWAVKZYYYHEJMZ-MRVPVSSYSA-N 1 2 240.278 1.401 20 0 BDADLO CC[C@H](O)[C@H](CC)Nc1cc(C)[nH+]cn1 ZINC000313092564 259331019 /nfs/dbraw/zinc/33/10/19/259331019.db2.gz JEKPMFCHDFTADA-UWVGGRQHSA-N 1 2 209.293 1.746 20 0 BDADLO CCc1cc(NC[C@@]2(O)CCC[C@H]2C)nc[nH+]1 ZINC000392925161 398336309 /nfs/dbraw/zinc/33/63/09/398336309.db2.gz HJNDZRJHFFIUAY-MFKMUULPSA-N 1 2 235.331 1.424 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1F ZINC000576804484 365689410 /nfs/dbraw/zinc/68/94/10/365689410.db2.gz OWMONSXONFJLJQ-NXEZZACHSA-N 1 2 225.267 1.280 20 0 BDADLO O=C([C@H]1CCOC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120156180 398337066 /nfs/dbraw/zinc/33/70/66/398337066.db2.gz SRKIMRHSKRLXGD-WDEREUQCSA-N 1 2 249.314 1.500 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](C)C1 ZINC000079601729 398338149 /nfs/dbraw/zinc/33/81/49/398338149.db2.gz XQCGCDGAOBTHJG-MNOVXSKESA-N 1 2 206.289 1.863 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](C)C1 ZINC000079601729 398338150 /nfs/dbraw/zinc/33/81/50/398338150.db2.gz XQCGCDGAOBTHJG-MNOVXSKESA-N 1 2 206.289 1.863 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000354851734 398330804 /nfs/dbraw/zinc/33/08/04/398330804.db2.gz VJTDABAUYJTFDQ-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000037693528 342940933 /nfs/dbraw/zinc/94/09/33/342940933.db2.gz MBHMXRQHNFIWIW-HNNXBMFYSA-N 1 2 248.370 1.575 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000493205195 529458081 /nfs/dbraw/zinc/45/80/81/529458081.db2.gz KEPCDMUSZDVDHK-OMMCCPJFSA-N 1 2 237.303 1.089 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1ccc[nH]1 ZINC000351728565 136250178 /nfs/dbraw/zinc/25/01/78/136250178.db2.gz DTPRJVZWGXIOCM-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000351728565 136250179 /nfs/dbraw/zinc/25/01/79/136250179.db2.gz DTPRJVZWGXIOCM-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CCCCC1=NN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000634590367 342937532 /nfs/dbraw/zinc/93/75/32/342937532.db2.gz XITXKVUYZOHPHX-SNVBAGLBSA-N 1 2 225.336 1.573 20 0 BDADLO CCCCc1[nH]n(CC[NH+](C)C)c(=O)c1C ZINC000634590367 342937534 /nfs/dbraw/zinc/93/75/34/342937534.db2.gz XITXKVUYZOHPHX-SNVBAGLBSA-N 1 2 225.336 1.573 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000602682054 349674365 /nfs/dbraw/zinc/67/43/65/349674365.db2.gz QDWRKHUWDUZJBC-OUAUKWLOSA-N 1 2 229.320 1.484 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@H](COC)C(=O)OC ZINC000336675567 346893972 /nfs/dbraw/zinc/89/39/72/346893972.db2.gz BLNUMBNMTTVCMH-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO CCc1cnc(C[N@H+](C)CCOC)s1 ZINC000175520139 346897803 /nfs/dbraw/zinc/89/78/03/346897803.db2.gz TVNYFBHBZXADDV-UHFFFAOYSA-N 1 2 214.334 1.784 20 0 BDADLO CCc1cnc(C[N@@H+](C)CCOC)s1 ZINC000175520139 346897806 /nfs/dbraw/zinc/89/78/06/346897806.db2.gz TVNYFBHBZXADDV-UHFFFAOYSA-N 1 2 214.334 1.784 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493398692 529493489 /nfs/dbraw/zinc/49/34/89/529493489.db2.gz XAARWDBWXXXJDR-RXNFCKPNSA-N 1 2 237.303 1.090 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000351801413 136253533 /nfs/dbraw/zinc/25/35/33/136253533.db2.gz CLCHXNNYJFZTFN-QWRGUYRKSA-N 1 2 221.304 1.436 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CS[C@H](C)C1 ZINC000602695824 349691741 /nfs/dbraw/zinc/69/17/41/349691741.db2.gz NLAGJVXFMLOYBA-IEBDPFPHSA-N 1 2 243.372 1.812 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000602700600 349695947 /nfs/dbraw/zinc/69/59/47/349695947.db2.gz HPBJWMXKXHNRPD-QCNOEVLYSA-N 1 2 245.363 1.977 20 0 BDADLO CCc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)on1 ZINC000493710449 529527853 /nfs/dbraw/zinc/52/78/53/529527853.db2.gz SVPJIGSNELCCFU-ARJAWSKDSA-N 1 2 246.270 1.290 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H](C)OC ZINC000492005943 529553339 /nfs/dbraw/zinc/55/33/39/529553339.db2.gz UWXQPNDUNVDGSE-BRAIEQGRSA-N 1 2 237.303 1.067 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000493172398 529554582 /nfs/dbraw/zinc/55/45/82/529554582.db2.gz QMSXGSQWMRNZDZ-CYLBZQBVSA-N 1 2 245.326 1.831 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NOC(C)C ZINC000493014952 529555108 /nfs/dbraw/zinc/55/51/08/529555108.db2.gz FIFPLYWVUVBEOA-AATRIKPKSA-N 1 2 223.276 1.372 20 0 BDADLO Clc1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000041014993 342976748 /nfs/dbraw/zinc/97/67/48/342976748.db2.gz KNNDRDUMUVJTEL-UHFFFAOYSA-N 1 2 211.652 1.946 20 0 BDADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H](O)CC ZINC000493594333 529573178 /nfs/dbraw/zinc/57/31/78/529573178.db2.gz HFLBWWYTVYIAQG-MXFLAHGMSA-N 1 2 237.303 1.089 20 0 BDADLO CC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000493426868 529573198 /nfs/dbraw/zinc/57/31/98/529573198.db2.gz QPRLDFQWGVZEEA-ZBJFTSOASA-N 1 2 245.286 1.414 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOCC1(C)C ZINC000176457566 346910843 /nfs/dbraw/zinc/91/08/43/346910843.db2.gz HSCAECXZMRXFOB-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ncccc1C[N@H+]1CCOCC1(C)C ZINC000176457566 346910847 /nfs/dbraw/zinc/91/08/47/346910847.db2.gz HSCAECXZMRXFOB-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CC(C)(C)CO1 ZINC000602767416 349722972 /nfs/dbraw/zinc/72/29/72/349722972.db2.gz DPDVZTFGRUUZQC-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CC(C)(C)CO1 ZINC000602767416 349722976 /nfs/dbraw/zinc/72/29/76/349722976.db2.gz DPDVZTFGRUUZQC-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CSC1CC[NH+](Cc2ncnn2C)CC1 ZINC000602727979 349716216 /nfs/dbraw/zinc/71/62/16/349716216.db2.gz ULWNOLWKFXCGKZ-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO CCC[C@@H]1C[N@H+](CCN(C#N)CC)CCO1 ZINC000602798305 349739513 /nfs/dbraw/zinc/73/95/13/349739513.db2.gz YTNSMNGLUISKEA-GFCCVEGCSA-N 1 2 225.336 1.290 20 0 BDADLO CCC[C@@H]1C[N@@H+](CCN(C#N)CC)CCO1 ZINC000602798305 349739516 /nfs/dbraw/zinc/73/95/16/349739516.db2.gz YTNSMNGLUISKEA-GFCCVEGCSA-N 1 2 225.336 1.290 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000602823028 349763258 /nfs/dbraw/zinc/76/32/58/349763258.db2.gz UHMJCLWLHBLHIZ-DGCLKSJQSA-N 1 2 237.347 1.289 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000602823028 349763264 /nfs/dbraw/zinc/76/32/64/349763264.db2.gz UHMJCLWLHBLHIZ-DGCLKSJQSA-N 1 2 237.347 1.289 20 0 BDADLO CC[C@H]1C[N@H+](CCN(C#N)CC)C[C@@H](C)O1 ZINC000602782956 349748584 /nfs/dbraw/zinc/74/85/84/349748584.db2.gz KQYACSFGTJUJQV-NEPJUHHUSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@H]1C[N@@H+](CCN(C#N)CC)C[C@@H](C)O1 ZINC000602782956 349748586 /nfs/dbraw/zinc/74/85/86/349748586.db2.gz KQYACSFGTJUJQV-NEPJUHHUSA-N 1 2 225.336 1.289 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C(C)C ZINC000602809424 349753251 /nfs/dbraw/zinc/75/32/51/349753251.db2.gz HKTWKFPNGZJQGW-QWRGUYRKSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1ccc(F)cc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634615872 343013584 /nfs/dbraw/zinc/01/35/84/343013584.db2.gz USMVXZFQISKVMT-JTQLQIEISA-N 1 2 247.273 1.446 20 0 BDADLO FC(F)n1ccnc1C[NH2+]Cc1cccnc1 ZINC000034938360 358452239 /nfs/dbraw/zinc/45/22/39/358452239.db2.gz CTGCAXAFIDNBOQ-UHFFFAOYSA-N 1 2 238.241 1.963 20 0 BDADLO CCc1c(C)nn(-c2[nH+]ccn2C)c1C ZINC000634630121 343038763 /nfs/dbraw/zinc/03/87/63/343038763.db2.gz MXLGDHINBLMXBN-UHFFFAOYSA-N 1 2 204.277 1.785 20 0 BDADLO C[C@H]1CC[C@H]2C(=O)N(CCCn3cc[nH+]c3)N=C21 ZINC000634634427 343047132 /nfs/dbraw/zinc/04/71/32/343047132.db2.gz XJOWVDSFEZSRJH-WDEREUQCSA-N 1 2 246.314 1.518 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602853142 349787073 /nfs/dbraw/zinc/78/70/73/349787073.db2.gz HKRYUVRUXUDERU-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602853142 349787077 /nfs/dbraw/zinc/78/70/77/349787077.db2.gz HKRYUVRUXUDERU-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC1CC1)C(C)C ZINC000119132236 343067937 /nfs/dbraw/zinc/06/79/37/343067937.db2.gz OZOXCUIRCJJJFQ-LLVKDONJSA-N 1 2 229.320 1.200 20 0 BDADLO C[C@@H]1C[NH+](Cc2nncn2C)C[C@@H](C)C1(F)F ZINC000625652650 344026451 /nfs/dbraw/zinc/02/64/51/344026451.db2.gz FEMNVWSGTPYQOQ-RKDXNWHRSA-N 1 2 244.289 1.538 20 0 BDADLO Nc1cc(CSc2cnccn2)cc[nH+]1 ZINC000082433613 362017329 /nfs/dbraw/zinc/01/73/29/362017329.db2.gz PRHDLXOOYCOBQN-UHFFFAOYSA-N 1 2 218.285 1.746 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CCOC(C)(C)C2 ZINC000634533609 362028040 /nfs/dbraw/zinc/02/80/40/362028040.db2.gz JIGYNQGQIOVYBB-ZDUSSCGKSA-N 1 2 240.347 1.502 20 0 BDADLO Cn1cc[nH+]c1CS(=O)(=O)CC1CCC1 ZINC000634534178 362030391 /nfs/dbraw/zinc/03/03/91/362030391.db2.gz GZLFTUGUKDHJOF-UHFFFAOYSA-N 1 2 228.317 1.135 20 0 BDADLO c1[nH]cc(CCc2nc(C3CCC3)no2)[nH+]1 ZINC000634665969 343089752 /nfs/dbraw/zinc/08/97/52/343089752.db2.gz FZZCBIGKDVFNIN-UHFFFAOYSA-N 1 2 218.260 1.845 20 0 BDADLO c1[nH]c(CCc2nc(C3CCC3)no2)c[nH+]1 ZINC000634665969 343089754 /nfs/dbraw/zinc/08/97/54/343089754.db2.gz FZZCBIGKDVFNIN-UHFFFAOYSA-N 1 2 218.260 1.845 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1CCO[C@@H]1C ZINC000634547522 362038299 /nfs/dbraw/zinc/03/82/99/362038299.db2.gz SRXWBTFXBRVFJV-BDAKNGLRSA-N 1 2 247.302 1.293 20 0 BDADLO CCc1cc(N[C@H]2CCC[C@@H](O)C2)nc[nH+]1 ZINC000309952665 343108541 /nfs/dbraw/zinc/10/85/41/343108541.db2.gz GXCYULDYISEMNJ-WDEREUQCSA-N 1 2 221.304 1.754 20 0 BDADLO COCc1cc(C[NH2+][C@@H]2C[C@]2(C)OC)no1 ZINC000668744751 488203092 /nfs/dbraw/zinc/20/30/92/488203092.db2.gz RYCPADZIILTOLM-MNOVXSKESA-N 1 2 226.276 1.088 20 0 BDADLO CCC[C@H](C)n1cc(C[N@H+](C)CCOC)nn1 ZINC000640942425 362085285 /nfs/dbraw/zinc/08/52/85/362085285.db2.gz SLPQFVXVKYRODV-NSHDSACASA-N 1 2 240.351 1.717 20 0 BDADLO CCC[C@H](C)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000640942425 362085290 /nfs/dbraw/zinc/08/52/90/362085290.db2.gz SLPQFVXVKYRODV-NSHDSACASA-N 1 2 240.351 1.717 20 0 BDADLO CCc1cc(N[C@H](CCO)CSC)nc[nH+]1 ZINC000309974506 343123316 /nfs/dbraw/zinc/12/33/16/343123316.db2.gz RTIYXLSHOZFAJS-SNVBAGLBSA-N 1 2 241.360 1.565 20 0 BDADLO COCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580145 192356363 /nfs/dbraw/zinc/35/63/63/192356363.db2.gz VUOHRKAYWGXFJW-UHFFFAOYSA-N 1 2 222.288 1.351 20 0 BDADLO CCCCc1cc(NC[C@@H](C)CCO)nc[nH+]1 ZINC000631137077 343134948 /nfs/dbraw/zinc/13/49/48/343134948.db2.gz UPSKTWFQXKFTCM-NSHDSACASA-N 1 2 237.347 1.672 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)O1 ZINC000150753778 136273431 /nfs/dbraw/zinc/27/34/31/136273431.db2.gz JZDHCKGOXXZCHM-MWLCHTKSSA-N 1 2 249.314 1.654 20 0 BDADLO C[C@@H](NC(=O)CCC(F)(F)F)c1[nH]cc[nH+]1 ZINC000125367869 343173118 /nfs/dbraw/zinc/17/31/18/343173118.db2.gz OWHHDCRHWILBFW-ZCFIWIBFSA-N 1 2 235.209 1.929 20 0 BDADLO CCC1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000134838857 343195963 /nfs/dbraw/zinc/19/59/63/343195963.db2.gz NGRYJCCNJOPHMT-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO CCC1CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000134838857 343195965 /nfs/dbraw/zinc/19/59/65/343195965.db2.gz NGRYJCCNJOPHMT-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO CN(Cc1noc(C2CCC2)n1)Cc1[nH]cc[nH+]1 ZINC000625273393 343208270 /nfs/dbraw/zinc/20/82/70/343208270.db2.gz AXOQHBQBGAGXCF-UHFFFAOYSA-N 1 2 247.302 1.692 20 0 BDADLO CC[C@@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000168372161 343209803 /nfs/dbraw/zinc/20/98/03/343209803.db2.gz GLTWFUJFUBPUCF-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(O)CC1 ZINC000082776917 136276972 /nfs/dbraw/zinc/27/69/72/136276972.db2.gz TYZKIZJEDGSJDU-SECBINFHSA-N 1 2 229.320 1.173 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)[C@H](C)C1 ZINC000134917188 343191628 /nfs/dbraw/zinc/19/16/28/343191628.db2.gz IKYGNHVIRPCNJP-OCAPTIKFSA-N 1 2 222.292 1.160 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)[C@H](C)C1 ZINC000134917188 343191629 /nfs/dbraw/zinc/19/16/29/343191629.db2.gz IKYGNHVIRPCNJP-OCAPTIKFSA-N 1 2 222.292 1.160 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(C)(C)C1 ZINC000134921456 343192293 /nfs/dbraw/zinc/19/22/93/343192293.db2.gz KPEGPDJQHDQMDZ-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(C)(C)C1 ZINC000134921456 343192295 /nfs/dbraw/zinc/19/22/95/343192295.db2.gz KPEGPDJQHDQMDZ-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO CCn1cc(C(=O)Nc2cc[nH+]cc2C)c(C)n1 ZINC000625356151 343247681 /nfs/dbraw/zinc/24/76/81/343247681.db2.gz PRHPDRNWZSQHNK-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO CCO[C@H](C[NH2+][C@H](C)c1ncn(C)n1)C1CC1 ZINC000625359002 343248696 /nfs/dbraw/zinc/24/86/96/343248696.db2.gz XVKSWGYFZCYKBQ-MWLCHTKSSA-N 1 2 238.335 1.281 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cc[nH]n2)n1 ZINC000051575164 343258879 /nfs/dbraw/zinc/25/88/79/343258879.db2.gz NFCCKUQLYRXTGE-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CCCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000609075393 343279450 /nfs/dbraw/zinc/27/94/50/343279450.db2.gz XWRKQVBJWGBUQC-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO CCCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000609075393 343279451 /nfs/dbraw/zinc/27/94/51/343279451.db2.gz XWRKQVBJWGBUQC-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO CC[C@@H](C)CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000335615878 136295983 /nfs/dbraw/zinc/29/59/83/136295983.db2.gz XTSUAQYGNGHWKH-SNVBAGLBSA-N 1 2 236.319 1.454 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](CO)C2)[nH+]1 ZINC000348728220 136294993 /nfs/dbraw/zinc/29/49/93/136294993.db2.gz KJGCPSFBZZOLLL-SNVBAGLBSA-N 1 2 246.314 1.475 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cn[nH]c1 ZINC000379051774 346934095 /nfs/dbraw/zinc/93/40/95/346934095.db2.gz KFIDRIXAMLPFQF-YWVKMMECSA-N 1 2 231.303 1.963 20 0 BDADLO CC[NH+]1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000078382018 343368527 /nfs/dbraw/zinc/36/85/27/343368527.db2.gz LAANRAJDNRBTBO-UHFFFAOYSA-N 1 2 242.706 1.711 20 0 BDADLO COC(=O)CN(C)Cc1cn2cccc(C)c2[nH+]1 ZINC000048584172 343372843 /nfs/dbraw/zinc/37/28/43/343372843.db2.gz XGIWKCALFDSPMQ-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO Cn1cc[nH+]c1CNc1ncccc1F ZINC000070853794 343338796 /nfs/dbraw/zinc/33/87/96/343338796.db2.gz NYOPPVHOFLHFLE-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCS1 ZINC000070819015 343340965 /nfs/dbraw/zinc/34/09/65/343340965.db2.gz VRPUVDCSZHNLQS-MRVPVSSYSA-N 1 2 225.317 1.264 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cscn1 ZINC000070980831 343341657 /nfs/dbraw/zinc/34/16/57/343341657.db2.gz WVMCGQHDPXZJBK-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000335647415 136304187 /nfs/dbraw/zinc/30/41/87/136304187.db2.gz SSXFBJZLVFJTSC-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000335647415 136304188 /nfs/dbraw/zinc/30/41/88/136304188.db2.gz SSXFBJZLVFJTSC-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1ccccc1 ZINC000113751575 136317861 /nfs/dbraw/zinc/31/78/61/136317861.db2.gz YOQBWSNHWGTXRL-UHFFFAOYSA-N 1 2 245.282 1.447 20 0 BDADLO C[C@H]1[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)C1(F)F ZINC000335652727 136305567 /nfs/dbraw/zinc/30/55/67/136305567.db2.gz BSAGHQNCAZZEFG-CBAPKCEASA-N 1 2 243.257 1.280 20 0 BDADLO Cn1nccc1C[NH+]1CC2(CCC2(F)F)C1 ZINC000335656896 136306968 /nfs/dbraw/zinc/30/69/68/136306968.db2.gz GPDNBXQDPFMFTN-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO CC(C)N1CCC[C@@H]([N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000177679792 346935567 /nfs/dbraw/zinc/93/55/67/346935567.db2.gz OLEXLDXIPFFNHB-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@@H]([N@H+]2CCO[C@@H](C)C2)C1=O ZINC000177679792 346935569 /nfs/dbraw/zinc/93/55/69/346935569.db2.gz OLEXLDXIPFFNHB-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000335664266 136315901 /nfs/dbraw/zinc/31/59/01/136315901.db2.gz OOUYSHZMEYRRSK-SCZZXKLOSA-N 1 2 212.293 1.411 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000335664266 136315902 /nfs/dbraw/zinc/31/59/02/136315902.db2.gz OOUYSHZMEYRRSK-SCZZXKLOSA-N 1 2 212.293 1.411 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cncs2)CCN1C ZINC000335680109 136322148 /nfs/dbraw/zinc/32/21/48/136322148.db2.gz KAHIMINBSNQLAJ-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cncs2)CCN1C ZINC000335680109 136322149 /nfs/dbraw/zinc/32/21/49/136322149.db2.gz KAHIMINBSNQLAJ-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)CC2CCC2)CCO1 ZINC000525709848 259359530 /nfs/dbraw/zinc/35/95/30/259359530.db2.gz UONAZHCPDITFAX-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)CC2CCC2)CCO1 ZINC000525709848 259359531 /nfs/dbraw/zinc/35/95/31/259359531.db2.gz UONAZHCPDITFAX-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO O=C(C1CCC1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367078071 136327660 /nfs/dbraw/zinc/32/76/60/136327660.db2.gz NWGNUBHGVKTVBS-CYBMUJFWSA-N 1 2 245.326 1.355 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1CCC(F)(F)F ZINC000335682357 136329240 /nfs/dbraw/zinc/32/92/40/136329240.db2.gz LOBOZDGPAGKYMG-SSDOTTSWSA-N 1 2 234.225 1.607 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1CCC(F)(F)F ZINC000335682357 136329241 /nfs/dbraw/zinc/32/92/41/136329241.db2.gz LOBOZDGPAGKYMG-SSDOTTSWSA-N 1 2 234.225 1.607 20 0 BDADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@H](C)C(C)C ZINC000569987348 323046610 /nfs/dbraw/zinc/04/66/10/323046610.db2.gz XMWGNGQRRRGQRG-LLVKDONJSA-N 1 2 237.347 1.856 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335718235 136339927 /nfs/dbraw/zinc/33/99/27/136339927.db2.gz QHPUYYMXPFFRGO-JGVFFNPUSA-N 1 2 239.344 1.135 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335718235 136339928 /nfs/dbraw/zinc/33/99/28/136339928.db2.gz QHPUYYMXPFFRGO-JGVFFNPUSA-N 1 2 239.344 1.135 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335718234 136339997 /nfs/dbraw/zinc/33/99/97/136339997.db2.gz QHPUYYMXPFFRGO-HTQZYQBOSA-N 1 2 239.344 1.135 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335718234 136339998 /nfs/dbraw/zinc/33/99/98/136339998.db2.gz QHPUYYMXPFFRGO-HTQZYQBOSA-N 1 2 239.344 1.135 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cnccn1 ZINC000349310532 136340712 /nfs/dbraw/zinc/34/07/12/136340712.db2.gz HLQMIFYYDWTQEE-CABZTGNLSA-N 1 2 249.339 1.922 20 0 BDADLO COCCC[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000350070148 136354025 /nfs/dbraw/zinc/35/40/25/136354025.db2.gz MJNLVCPYLLSCST-SNVBAGLBSA-N 1 2 239.319 1.431 20 0 BDADLO C[N@@H+](Cc1ccoc1)C[C@@H](O)C(F)(F)F ZINC000082680178 343459612 /nfs/dbraw/zinc/45/96/12/343459612.db2.gz ADCBSQHCODPPFW-MRVPVSSYSA-N 1 2 223.194 1.635 20 0 BDADLO C[N@H+](Cc1ccoc1)C[C@@H](O)C(F)(F)F ZINC000082680178 343459615 /nfs/dbraw/zinc/45/96/15/343459615.db2.gz ADCBSQHCODPPFW-MRVPVSSYSA-N 1 2 223.194 1.635 20 0 BDADLO c1cn(Cc2cn(CC[C@@H]3CCCO3)nn2)c[nH+]1 ZINC000641097707 362224370 /nfs/dbraw/zinc/22/43/70/362224370.db2.gz QAFUICZBDSPBQP-LBPRGKRZSA-N 1 2 247.302 1.092 20 0 BDADLO Cc1ccncc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351111873 136367960 /nfs/dbraw/zinc/36/79/60/136367960.db2.gz GDKIBKDAHOCPLT-WCFLWFBJSA-N 1 2 245.326 1.199 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616722126 343549314 /nfs/dbraw/zinc/54/93/14/343549314.db2.gz XLBHOPTXFWMLEB-MDZLAQPJSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616722126 343549316 /nfs/dbraw/zinc/54/93/16/343549316.db2.gz XLBHOPTXFWMLEB-MDZLAQPJSA-N 1 2 247.342 1.989 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000070850814 343514135 /nfs/dbraw/zinc/51/41/35/343514135.db2.gz NCTOBHBHYKBWGH-IUCAKERBSA-N 1 2 227.329 1.830 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)C(=O)OC ZINC000619183048 343544782 /nfs/dbraw/zinc/54/47/82/343544782.db2.gz NCROUYOXSIFTRB-CMPLNLGQSA-N 1 2 236.315 1.726 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1=CCCC1 ZINC000620002728 343546727 /nfs/dbraw/zinc/54/67/27/343546727.db2.gz FUNUBTZYAAQQHR-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccncc1 ZINC000049087023 343592748 /nfs/dbraw/zinc/59/27/48/343592748.db2.gz DLXFJSLKHISJKW-UHFFFAOYSA-N 1 2 230.271 1.087 20 0 BDADLO CCc1ncc(CNC(=O)/C=C/c2[nH]cc[nH+]2)o1 ZINC000493194596 529754801 /nfs/dbraw/zinc/75/48/01/529754801.db2.gz SUMBCXVQUAAOJE-ONEGZZNKSA-N 1 2 246.270 1.290 20 0 BDADLO C1=CCC(C[N@@H+]2CCOC[C@H]2c2ncno2)C1 ZINC000625414958 343605570 /nfs/dbraw/zinc/60/55/70/343605570.db2.gz PEOLAQBOFANUGY-NSHDSACASA-N 1 2 235.287 1.409 20 0 BDADLO C1=CCC(C[N@H+]2CCOC[C@H]2c2ncno2)C1 ZINC000625414958 343605571 /nfs/dbraw/zinc/60/55/71/343605571.db2.gz PEOLAQBOFANUGY-NSHDSACASA-N 1 2 235.287 1.409 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cccnc1 ZINC000622745542 343606020 /nfs/dbraw/zinc/60/60/20/343606020.db2.gz NXGJLCPHAUJOME-UHFFFAOYSA-N 1 2 216.244 1.077 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cccnc1 ZINC000622745542 343606021 /nfs/dbraw/zinc/60/60/21/343606021.db2.gz NXGJLCPHAUJOME-UHFFFAOYSA-N 1 2 216.244 1.077 20 0 BDADLO CN(C)c1ccc(CNC(=O)OCC2CC2)c[nH+]1 ZINC000495515757 529782000 /nfs/dbraw/zinc/78/20/00/529782000.db2.gz VUNHIXBNSCEZCT-UHFFFAOYSA-N 1 2 249.314 1.784 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@](C)(F)C1 ZINC000335866266 344035946 /nfs/dbraw/zinc/03/59/46/344035946.db2.gz HUFHBXYXOUTNKK-LBPRGKRZSA-N 1 2 237.278 1.778 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CN(C)C(=O)O3)cc1 ZINC000496044910 349825061 /nfs/dbraw/zinc/82/50/61/349825061.db2.gz RIVIFBQAJOYKJW-UHFFFAOYSA-N 1 2 246.310 1.631 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]cn1)C(C)(C)O ZINC000338787067 343690945 /nfs/dbraw/zinc/69/09/45/343690945.db2.gz FCIWJNUZEFJUGW-SECBINFHSA-N 1 2 209.293 1.746 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncnn2C)o1 ZINC000083971004 343692074 /nfs/dbraw/zinc/69/20/74/343692074.db2.gz LYQXOWQFLOHECL-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000309537717 343709367 /nfs/dbraw/zinc/70/93/67/343709367.db2.gz XJMRBXZOLFMBJE-UHFFFAOYSA-N 1 2 220.276 1.037 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)COC(F)F ZINC000507485021 529814866 /nfs/dbraw/zinc/81/48/66/529814866.db2.gz LAEGMTRJWFMVPP-UHFFFAOYSA-N 1 2 245.229 1.325 20 0 BDADLO CCc1nocc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625435072 343735543 /nfs/dbraw/zinc/73/55/43/343735543.db2.gz MFZANDCQPRPJMQ-UHFFFAOYSA-N 1 2 232.287 1.518 20 0 BDADLO Cc1ncsc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625434631 343735844 /nfs/dbraw/zinc/73/58/44/343735844.db2.gz DGLUSGBNENDNQX-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO COc1ccncc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625435231 343736393 /nfs/dbraw/zinc/73/63/93/343736393.db2.gz OOVGFRTWHNUEQO-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cc1nnsc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625435076 343736604 /nfs/dbraw/zinc/73/66/04/343736604.db2.gz MQVWBRHGYQORMN-UHFFFAOYSA-N 1 2 235.316 1.128 20 0 BDADLO Cc1ncc(CN2CCc3[nH+]c[nH]c3C2)s1 ZINC000625437708 343740179 /nfs/dbraw/zinc/74/01/79/343740179.db2.gz UDAJYBHIANCESU-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000061759372 343728606 /nfs/dbraw/zinc/72/86/06/343728606.db2.gz GHWHWFVAZXTDLS-UHFFFAOYSA-N 1 2 246.763 1.922 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000061759372 343728607 /nfs/dbraw/zinc/72/86/07/343728607.db2.gz GHWHWFVAZXTDLS-UHFFFAOYSA-N 1 2 246.763 1.922 20 0 BDADLO Cc1ccccc1OCCC[N@@H+]1CCNC(=O)C1 ZINC000065208593 343772423 /nfs/dbraw/zinc/77/24/23/343772423.db2.gz LREVDTBMQPBJLW-UHFFFAOYSA-N 1 2 248.326 1.196 20 0 BDADLO Cc1ccccc1OCCC[N@H+]1CCNC(=O)C1 ZINC000065208593 343772426 /nfs/dbraw/zinc/77/24/26/343772426.db2.gz LREVDTBMQPBJLW-UHFFFAOYSA-N 1 2 248.326 1.196 20 0 BDADLO CCn1nccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584234628 343777099 /nfs/dbraw/zinc/77/70/99/343777099.db2.gz MOFIBROFPZPEKY-JTQLQIEISA-N 1 2 247.302 1.689 20 0 BDADLO CN(CC(C)(C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493513326 529843768 /nfs/dbraw/zinc/84/37/68/529843768.db2.gz AMLMCCFHRHKATD-AATRIKPKSA-N 1 2 221.304 1.927 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H]2COC[C@H]2C1 ZINC000624408780 343758601 /nfs/dbraw/zinc/75/86/01/343758601.db2.gz FAZUBRGHBNIQBN-WDEREUQCSA-N 1 2 234.299 1.563 20 0 BDADLO CC(C)c1noc(C[NH+]2CCC(O)CC2)n1 ZINC000042335283 343780339 /nfs/dbraw/zinc/78/03/39/343780339.db2.gz FLWNNAQYKPBRLR-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000625462070 343865627 /nfs/dbraw/zinc/86/56/27/343865627.db2.gz LNAWXYNYEOQNBY-VXNVDRBHSA-N 1 2 239.344 1.371 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000625462070 343865628 /nfs/dbraw/zinc/86/56/28/343865628.db2.gz LNAWXYNYEOQNBY-VXNVDRBHSA-N 1 2 239.344 1.371 20 0 BDADLO c1nnsc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000625468108 343872529 /nfs/dbraw/zinc/87/25/29/343872529.db2.gz RBEFXWTWJGDGJO-SCZZXKLOSA-N 1 2 225.317 1.149 20 0 BDADLO c1nnsc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000625468108 343872530 /nfs/dbraw/zinc/87/25/30/343872530.db2.gz RBEFXWTWJGDGJO-SCZZXKLOSA-N 1 2 225.317 1.149 20 0 BDADLO CCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625498506 343887403 /nfs/dbraw/zinc/88/74/03/343887403.db2.gz ALLYMJHALUEITD-CYBMUJFWSA-N 1 2 245.330 1.501 20 0 BDADLO CCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625498506 343887405 /nfs/dbraw/zinc/88/74/05/343887405.db2.gz ALLYMJHALUEITD-CYBMUJFWSA-N 1 2 245.330 1.501 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000603232035 349891860 /nfs/dbraw/zinc/89/18/60/349891860.db2.gz TWJVKVROEIWDOS-RYUDHWBXSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000603232035 349891865 /nfs/dbraw/zinc/89/18/65/349891865.db2.gz TWJVKVROEIWDOS-RYUDHWBXSA-N 1 2 242.363 1.115 20 0 BDADLO CCc1nocc1C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000590344883 347021266 /nfs/dbraw/zinc/02/12/66/347021266.db2.gz BUEGGXDFBDIWKG-LLVKDONJSA-N 1 2 238.287 1.374 20 0 BDADLO CCc1nocc1C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000590344883 347021269 /nfs/dbraw/zinc/02/12/69/347021269.db2.gz BUEGGXDFBDIWKG-LLVKDONJSA-N 1 2 238.287 1.374 20 0 BDADLO Cc1cnn(CC[N@@H+]2Cc3ccc(O)cc3C2)c1 ZINC000625726388 344058128 /nfs/dbraw/zinc/05/81/28/344058128.db2.gz GKTDTQIOOPHHAP-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cc1cnn(CC[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000625726388 344058130 /nfs/dbraw/zinc/05/81/30/344058130.db2.gz GKTDTQIOOPHHAP-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Fc1cnccc1NCCCn1cc[nH+]c1 ZINC000641253375 362332565 /nfs/dbraw/zinc/33/25/65/362332565.db2.gz XKWYBNAFYMPGNX-UHFFFAOYSA-N 1 2 220.251 1.341 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC1(C)COC1 ZINC000625791992 344075291 /nfs/dbraw/zinc/07/52/91/344075291.db2.gz PRPHNIRNDWDCBI-UHFFFAOYSA-N 1 2 238.335 1.327 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC1(C)COC1 ZINC000625791992 344075294 /nfs/dbraw/zinc/07/52/94/344075294.db2.gz PRPHNIRNDWDCBI-UHFFFAOYSA-N 1 2 238.335 1.327 20 0 BDADLO Cc1noc(C[N@@H+]2CCCC(F)(F)CC2)n1 ZINC000625767589 344068187 /nfs/dbraw/zinc/06/81/87/344068187.db2.gz MIHBKWOXRWDADN-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO Cc1noc(C[N@H+]2CCCC(F)(F)CC2)n1 ZINC000625767589 344068188 /nfs/dbraw/zinc/06/81/88/344068188.db2.gz MIHBKWOXRWDADN-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778070 344072558 /nfs/dbraw/zinc/07/25/58/344072558.db2.gz MDYQVAYTWKYSGO-MNOVXSKESA-N 1 2 238.360 1.317 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778070 344072559 /nfs/dbraw/zinc/07/25/59/344072559.db2.gz MDYQVAYTWKYSGO-MNOVXSKESA-N 1 2 238.360 1.317 20 0 BDADLO OCc1cc[nH+]c(NCC[C@H]2CCCO2)c1 ZINC000641277410 362342275 /nfs/dbraw/zinc/34/22/75/362342275.db2.gz XWJPYYCPUOFWFO-LLVKDONJSA-N 1 2 222.288 1.555 20 0 BDADLO Cc1cncnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000641287483 362344869 /nfs/dbraw/zinc/34/48/69/362344869.db2.gz LCELDUWPYZAEEW-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO Cc1c(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cnn1C ZINC000335919862 344086697 /nfs/dbraw/zinc/08/66/97/344086697.db2.gz PBYRKXQTOOFYNI-PHIMTYICSA-N 1 2 236.363 1.253 20 0 BDADLO Cc1c(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cnn1C ZINC000335919862 344086699 /nfs/dbraw/zinc/08/66/99/344086699.db2.gz PBYRKXQTOOFYNI-PHIMTYICSA-N 1 2 236.363 1.253 20 0 BDADLO Nc1ccnc(C[NH+](C2CC2)C2CC2)n1 ZINC000625843156 344094540 /nfs/dbraw/zinc/09/45/40/344094540.db2.gz QJILWMCQQCBVMB-UHFFFAOYSA-N 1 2 204.277 1.016 20 0 BDADLO Cc1ncc(C[N@H+](C)CC(=O)N2CCCC2)o1 ZINC000628124486 344151355 /nfs/dbraw/zinc/15/13/55/344151355.db2.gz JNJHHKAIRYWVJU-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC(=O)N2CCCC2)o1 ZINC000628124486 344151359 /nfs/dbraw/zinc/15/13/59/344151359.db2.gz JNJHHKAIRYWVJU-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO COC1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628125309 344154767 /nfs/dbraw/zinc/15/47/67/344154767.db2.gz UBMGPHVPSITDII-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN(C)[C@@H]2CCSC2)[nH+]c1C ZINC000628131840 344159233 /nfs/dbraw/zinc/15/92/33/344159233.db2.gz LJORFAMZFQYCDD-SNVBAGLBSA-N 1 2 225.361 1.964 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2ncccn2)CCO1 ZINC000634758926 344226919 /nfs/dbraw/zinc/22/69/19/344226919.db2.gz YTNBHOBAUHKMLC-VIFPVBQESA-N 1 2 243.257 1.333 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2ncccn2)CCO1 ZINC000634758926 344226921 /nfs/dbraw/zinc/22/69/21/344226921.db2.gz YTNBHOBAUHKMLC-VIFPVBQESA-N 1 2 243.257 1.333 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2ncccn2)CCO1 ZINC000634758925 344227228 /nfs/dbraw/zinc/22/72/28/344227228.db2.gz YTNBHOBAUHKMLC-SECBINFHSA-N 1 2 243.257 1.333 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2ncccn2)CCO1 ZINC000634758925 344227231 /nfs/dbraw/zinc/22/72/31/344227231.db2.gz YTNBHOBAUHKMLC-SECBINFHSA-N 1 2 243.257 1.333 20 0 BDADLO CC(C)(C)OCCNc1cc(CO)cc[nH+]1 ZINC000641321086 362363100 /nfs/dbraw/zinc/36/31/00/362363100.db2.gz LIPJRVZCNGROSR-UHFFFAOYSA-N 1 2 224.304 1.801 20 0 BDADLO Cc1nn(C)cc1[C@H](C)Nc1cc[nH+]cc1F ZINC000641339906 362369990 /nfs/dbraw/zinc/36/99/90/362369990.db2.gz TYBMAVGISAXRDZ-QMMMGPOBSA-N 1 2 234.278 1.858 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCN1CCCC1=O ZINC000107293626 344249775 /nfs/dbraw/zinc/24/97/75/344249775.db2.gz JHCDUZIUFWYURE-UHFFFAOYSA-N 1 2 247.298 1.341 20 0 BDADLO Cc1cc(N[C@H]2CCCc3c[nH]nc32)nc[nH+]1 ZINC000408218773 344253532 /nfs/dbraw/zinc/25/35/32/344253532.db2.gz JXOZRTDHVFBIMU-JTQLQIEISA-N 1 2 229.287 1.998 20 0 BDADLO Cc1cnccc1C[NH2+]Cc1cocn1 ZINC000395233596 362371488 /nfs/dbraw/zinc/37/14/88/362371488.db2.gz OUOIEZUPXHAYHW-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO C[N@H+](CCCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000091538802 344281824 /nfs/dbraw/zinc/28/18/24/344281824.db2.gz MVMCEXMTVHKMQI-UHFFFAOYSA-N 1 2 246.314 1.163 20 0 BDADLO C[N@@H+](CCCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000091538802 344281825 /nfs/dbraw/zinc/28/18/25/344281825.db2.gz MVMCEXMTVHKMQI-UHFFFAOYSA-N 1 2 246.314 1.163 20 0 BDADLO CC(C)C[C@H](CO)Nc1cc[nH+]cc1F ZINC000641363442 362377270 /nfs/dbraw/zinc/37/72/70/362377270.db2.gz MRZIPZGQGHJWEJ-SECBINFHSA-N 1 2 212.268 1.462 20 0 BDADLO C[C@@H](NC(=O)Cc1cccnc1)c1[nH+]ccn1C ZINC000620601337 344334861 /nfs/dbraw/zinc/33/48/61/344334861.db2.gz WBDYKPILCZFPMB-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO Cc1c[nH+]ccc1CCSCCC(N)=O ZINC000600605925 344339204 /nfs/dbraw/zinc/33/92/04/344339204.db2.gz MEQMPTFHCMBUOF-UHFFFAOYSA-N 1 2 224.329 1.541 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC1(F)F)c1[nH+]ccn1C ZINC000620607197 344358035 /nfs/dbraw/zinc/35/80/35/344358035.db2.gz FBGUHSUNMPOOOB-RNFRBKRXSA-N 1 2 229.230 1.253 20 0 BDADLO CC[C@H](C)[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641373052 362381344 /nfs/dbraw/zinc/38/13/44/362381344.db2.gz SFQGEXPBJLPSJA-GXFFZTMASA-N 1 2 238.331 1.783 20 0 BDADLO OCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000093085610 344308455 /nfs/dbraw/zinc/30/84/55/344308455.db2.gz FSZDINBJZJJBFP-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO OCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000093085610 344308456 /nfs/dbraw/zinc/30/84/56/344308456.db2.gz FSZDINBJZJJBFP-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ncccc1C ZINC000093175098 344310352 /nfs/dbraw/zinc/31/03/52/344310352.db2.gz IYZUVBVLADPLOS-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ncccc1C ZINC000093175098 344310353 /nfs/dbraw/zinc/31/03/53/344310353.db2.gz IYZUVBVLADPLOS-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000584301127 344437502 /nfs/dbraw/zinc/43/75/02/344437502.db2.gz KZFCBEFKQXNKAH-MMWGEVLESA-N 1 2 233.315 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000584301127 344437504 /nfs/dbraw/zinc/43/75/04/344437504.db2.gz KZFCBEFKQXNKAH-MMWGEVLESA-N 1 2 233.315 1.503 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCCC[C@H]2O)c1 ZINC000641393374 362390970 /nfs/dbraw/zinc/39/09/70/362390970.db2.gz UXTINFLOEKFENW-NWDGAFQWSA-N 1 2 236.315 1.537 20 0 BDADLO Cc1nc(CN2CCc3c([nH+]cn3C)C2)oc1C ZINC000071878928 344443719 /nfs/dbraw/zinc/44/37/19/344443719.db2.gz XOMYENNUFORQQO-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccs1 ZINC000042225534 344447925 /nfs/dbraw/zinc/44/79/25/344447925.db2.gz RGFJBMOJUWSLSN-UHFFFAOYSA-N 1 2 213.302 1.743 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccs1 ZINC000042225534 344447927 /nfs/dbraw/zinc/44/79/27/344447927.db2.gz RGFJBMOJUWSLSN-UHFFFAOYSA-N 1 2 213.302 1.743 20 0 BDADLO CC(C)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042532446 344447964 /nfs/dbraw/zinc/44/79/64/344447964.db2.gz UYABUXRHKVRRKE-LLVKDONJSA-N 1 2 223.320 1.824 20 0 BDADLO CCc1nc(C[NH+]2CCC(O)CC2)cs1 ZINC000042623826 344460480 /nfs/dbraw/zinc/46/04/80/344460480.db2.gz SNCCPXYABXIDLF-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000042867498 344469419 /nfs/dbraw/zinc/46/94/19/344469419.db2.gz ZBOPPMJJUNTODV-SECBINFHSA-N 1 2 200.307 1.346 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000042867498 344469421 /nfs/dbraw/zinc/46/94/21/344469421.db2.gz ZBOPPMJJUNTODV-SECBINFHSA-N 1 2 200.307 1.346 20 0 BDADLO COCCOC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641398662 362393358 /nfs/dbraw/zinc/39/33/58/362393358.db2.gz UAPVAWUGDFBNKA-SNVBAGLBSA-N 1 2 240.303 1.037 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C12CC(C1)C2 ZINC000624087634 344491609 /nfs/dbraw/zinc/49/16/09/344491609.db2.gz DSPSHKKCLYYGFG-UHFFFAOYSA-N 1 2 245.326 1.564 20 0 BDADLO OCc1cc[nH+]c(NCCCC(F)(F)F)c1 ZINC000641411015 362402762 /nfs/dbraw/zinc/40/27/62/362402762.db2.gz WQZRXFJUKGCHJD-UHFFFAOYSA-N 1 2 234.221 1.750 20 0 BDADLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)s1 ZINC000381616373 344525963 /nfs/dbraw/zinc/52/59/63/344525963.db2.gz VNQPMVABFNCWTA-UHFFFAOYSA-N 1 2 238.272 1.965 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCSC1 ZINC000570860454 323072845 /nfs/dbraw/zinc/07/28/45/323072845.db2.gz GYMXAZUZBFUSIM-IUCAKERBSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCSC1 ZINC000570860454 323072846 /nfs/dbraw/zinc/07/28/46/323072846.db2.gz GYMXAZUZBFUSIM-IUCAKERBSA-N 1 2 239.344 1.210 20 0 BDADLO CCOCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525724659 259377280 /nfs/dbraw/zinc/37/72/80/259377280.db2.gz RQWNVPJQRIIPAO-UHFFFAOYSA-N 1 2 247.298 1.857 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ncccc1C ZINC000678514929 488263628 /nfs/dbraw/zinc/26/36/28/488263628.db2.gz WFILSNRDGFKOPE-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ncccc1C ZINC000678514929 488263630 /nfs/dbraw/zinc/26/36/30/488263630.db2.gz WFILSNRDGFKOPE-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)OC ZINC000572660496 323073228 /nfs/dbraw/zinc/07/32/28/323073228.db2.gz JHFMKWVULQOJBS-KOLCDFICSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)OC ZINC000572660496 323073229 /nfs/dbraw/zinc/07/32/29/323073229.db2.gz JHFMKWVULQOJBS-KOLCDFICSA-N 1 2 239.319 1.130 20 0 BDADLO NC(=O)C[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641410662 362400903 /nfs/dbraw/zinc/40/09/03/362400903.db2.gz BEQNOFABBVCSPF-SECBINFHSA-N 1 2 237.278 1.313 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641459121 362431869 /nfs/dbraw/zinc/43/18/69/362431869.db2.gz SJUKXZFIUSEBDY-CMPLNLGQSA-N 1 2 236.315 1.314 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(F)F)CC2 ZINC000625948109 344583869 /nfs/dbraw/zinc/58/38/69/344583869.db2.gz QMADSPRBTLOFSZ-MRVPVSSYSA-N 1 2 243.257 1.135 20 0 BDADLO CO[C@H]1C[C@@H](Nc2cc[nH+]cc2F)C1(C)C ZINC000641427494 362411926 /nfs/dbraw/zinc/41/19/26/362411926.db2.gz ZKUITBCTZXUMCA-MNOVXSKESA-N 1 2 224.279 1.868 20 0 BDADLO CC(C)[C@@H](O)C1(CNc2cc[nH+]cc2F)CC1 ZINC000641479859 362447692 /nfs/dbraw/zinc/44/76/92/362447692.db2.gz NOCKFXZNSLCKFN-GFCCVEGCSA-N 1 2 238.306 1.852 20 0 BDADLO C[C@@H]1C[C@@H](CNc2cc(CO)cc[nH+]2)CCO1 ZINC000641478392 362447757 /nfs/dbraw/zinc/44/77/57/362447757.db2.gz PPMCUNCTOIGOON-MNOVXSKESA-N 1 2 236.315 1.801 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]cc2F)CCO1 ZINC000641475964 362448840 /nfs/dbraw/zinc/44/88/40/362448840.db2.gz VYFVLTHQOLSSEH-IUCAKERBSA-N 1 2 210.252 1.622 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641486807 362454143 /nfs/dbraw/zinc/45/41/43/362454143.db2.gz CNFFPSGXWHLNBO-RKDXNWHRSA-N 1 2 210.277 1.145 20 0 BDADLO O[C@H]1CC[C@H](CNc2cc[nH+]cc2F)C1 ZINC000641544446 362492406 /nfs/dbraw/zinc/49/24/06/362492406.db2.gz GSBWNJXNKLDPBB-IUCAKERBSA-N 1 2 210.252 1.216 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@@H](C3CC3)C2)c1 ZINC000641500547 362463106 /nfs/dbraw/zinc/46/31/06/362463106.db2.gz JAGPAMKTSMVSQZ-GFCCVEGCSA-N 1 2 234.299 1.189 20 0 BDADLO CC[C@]1(O)CCN(c2cc[nH+]cc2F)C1 ZINC000641505709 362464504 /nfs/dbraw/zinc/46/45/04/362464504.db2.gz UERNMQWSTQZCOR-NSHDSACASA-N 1 2 210.252 1.572 20 0 BDADLO OCc1cc[nH+]c(N2CCOCC3(CCC3)C2)c1 ZINC000641518406 362472292 /nfs/dbraw/zinc/47/22/92/362472292.db2.gz ZBOVZTHJEASVRT-UHFFFAOYSA-N 1 2 248.326 1.581 20 0 BDADLO OC[C@H]1CC(F)(F)CN1c1cc[nH+]cc1F ZINC000641518995 362472977 /nfs/dbraw/zinc/47/29/77/362472977.db2.gz QRWQLMCOFXBEQL-SSDOTTSWSA-N 1 2 232.205 1.427 20 0 BDADLO OC[C@@H]1CC(F)(F)CN1c1cc[nH+]cc1F ZINC000641518996 362473076 /nfs/dbraw/zinc/47/30/76/362473076.db2.gz QRWQLMCOFXBEQL-ZETCQYMHSA-N 1 2 232.205 1.427 20 0 BDADLO Cc1nc(C[N@H+](CCO)C2CC2)oc1C ZINC000049572782 344653901 /nfs/dbraw/zinc/65/39/01/344653901.db2.gz GNNQJUFFWKTFMU-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO Cc1nc(C[N@@H+](CCO)C2CC2)oc1C ZINC000049572782 344653902 /nfs/dbraw/zinc/65/39/02/344653902.db2.gz GNNQJUFFWKTFMU-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000531113226 344654811 /nfs/dbraw/zinc/65/48/11/344654811.db2.gz GONDPRIOCDNDNP-SECBINFHSA-N 1 2 219.288 1.313 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)on1 ZINC000626001806 344662273 /nfs/dbraw/zinc/66/22/73/344662273.db2.gz ZIIACGWFJNTNDO-JTQLQIEISA-N 1 2 228.267 1.543 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CCF)C2)on1 ZINC000626001806 344662274 /nfs/dbraw/zinc/66/22/74/344662274.db2.gz ZIIACGWFJNTNDO-JTQLQIEISA-N 1 2 228.267 1.543 20 0 BDADLO COCC[NH+](CCOC)Cc1csc(C)n1 ZINC000127919472 344681308 /nfs/dbraw/zinc/68/13/08/344681308.db2.gz WDFUJRRZBXRJKL-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000626004974 344667000 /nfs/dbraw/zinc/66/70/00/344667000.db2.gz RUBKUVUOXMYCQT-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000626004974 344667003 /nfs/dbraw/zinc/66/70/03/344667003.db2.gz RUBKUVUOXMYCQT-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000049956422 344703894 /nfs/dbraw/zinc/70/38/94/344703894.db2.gz YBRZMADMFNPHLU-SECBINFHSA-N 1 2 211.261 1.581 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000049956422 344703896 /nfs/dbraw/zinc/70/38/96/344703896.db2.gz YBRZMADMFNPHLU-SECBINFHSA-N 1 2 211.261 1.581 20 0 BDADLO C[C@@H](NC(=O)c1ccccn1)c1[nH+]ccn1C ZINC000082278747 344714623 /nfs/dbraw/zinc/71/46/23/344714623.db2.gz GVMDYNGYIVOFKS-SECBINFHSA-N 1 2 230.271 1.306 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425134531 192076251 /nfs/dbraw/zinc/07/62/51/192076251.db2.gz GCQNYYCRRZCCPO-JGPRNRPPSA-N 1 2 219.288 1.188 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557198 344779150 /nfs/dbraw/zinc/77/91/50/344779150.db2.gz OKHPPVQPWPDUSL-QWRGUYRKSA-N 1 2 249.314 1.295 20 0 BDADLO CCc1cnc(C[N@H+](C)CC[C@@H](C)O)o1 ZINC000075782394 344791590 /nfs/dbraw/zinc/79/15/90/344791590.db2.gz VMLLIKZKOMUSMV-SECBINFHSA-N 1 2 212.293 1.440 20 0 BDADLO CCc1cnc(C[N@@H+](C)CC[C@@H](C)O)o1 ZINC000075782394 344791593 /nfs/dbraw/zinc/79/15/93/344791593.db2.gz VMLLIKZKOMUSMV-SECBINFHSA-N 1 2 212.293 1.440 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000075777724 344791879 /nfs/dbraw/zinc/79/18/79/344791879.db2.gz RWDLCIDTMKLWND-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000075777724 344791882 /nfs/dbraw/zinc/79/18/82/344791882.db2.gz RWDLCIDTMKLWND-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000076708753 344808597 /nfs/dbraw/zinc/80/85/97/344808597.db2.gz FTRMREIORRCMHX-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000076708753 344808598 /nfs/dbraw/zinc/80/85/98/344808598.db2.gz FTRMREIORRCMHX-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1nc(N2CCC3(C2)CCCCC3)nc(N)[nH+]1 ZINC000385044790 344837049 /nfs/dbraw/zinc/83/70/49/344837049.db2.gz BCCLBPQZPROOTP-UHFFFAOYSA-N 1 2 247.346 1.753 20 0 BDADLO Cc1nc(N)nc(N2CCC3(C2)CCCCC3)[nH+]1 ZINC000385044790 344837053 /nfs/dbraw/zinc/83/70/53/344837053.db2.gz BCCLBPQZPROOTP-UHFFFAOYSA-N 1 2 247.346 1.753 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nnc(C)s1 ZINC000678624596 488273857 /nfs/dbraw/zinc/27/38/57/488273857.db2.gz DSARYPYUWDNNDD-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO Cn1c[nH+]c(CSCc2cnn(C)c2)c1 ZINC000603342253 349920057 /nfs/dbraw/zinc/92/00/57/349920057.db2.gz NZQZTTSJTCFCRY-UHFFFAOYSA-N 1 2 222.317 1.587 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nnc(C)s1 ZINC000678624596 488273858 /nfs/dbraw/zinc/27/38/58/488273858.db2.gz DSARYPYUWDNNDD-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO Cc1c[nH]c(CN2CCOCC2(C)C)[nH+]1 ZINC000628152960 344841693 /nfs/dbraw/zinc/84/16/93/344841693.db2.gz UPXVSRKJHRPDOT-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cnc(C)o1 ZINC000628153208 344843100 /nfs/dbraw/zinc/84/31/00/344843100.db2.gz FNQBWLVGVHFJTO-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cnc(C)o1 ZINC000628153208 344843102 /nfs/dbraw/zinc/84/31/02/344843102.db2.gz FNQBWLVGVHFJTO-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CC[C@H](O)C2)c1 ZINC000641550851 362496053 /nfs/dbraw/zinc/49/60/53/362496053.db2.gz XWNYZNNDFGRSJT-KOLCDFICSA-N 1 2 222.288 1.147 20 0 BDADLO CC(C)(C(=O)NCCC1CC1)[NH+]1CCOCC1 ZINC000338224087 537869017 /nfs/dbraw/zinc/86/90/17/537869017.db2.gz BBXLMKWKEBZIBM-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H](SC)C(=O)Nc1cc[nH+]cc1O ZINC000153460674 344881051 /nfs/dbraw/zinc/88/10/51/344881051.db2.gz IVWLEXFMYTYUFX-VIFPVBQESA-N 1 2 226.301 1.867 20 0 BDADLO Cc1c[nH]c(CN(CC(F)F)C2CC2)[nH+]1 ZINC000628168128 344882067 /nfs/dbraw/zinc/88/20/67/344882067.db2.gz KWTKSALEPYDYQT-UHFFFAOYSA-N 1 2 215.247 1.948 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000153556099 344903413 /nfs/dbraw/zinc/90/34/13/344903413.db2.gz WQCBMRZGZUEFLF-LBPRGKRZSA-N 1 2 237.303 1.244 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000153556099 344903414 /nfs/dbraw/zinc/90/34/14/344903414.db2.gz WQCBMRZGZUEFLF-LBPRGKRZSA-N 1 2 237.303 1.244 20 0 BDADLO Cc1nc(C[NH+]2CCC(C)(O)CC2)[nH]c1C ZINC000628177205 344905810 /nfs/dbraw/zinc/90/58/10/344905810.db2.gz OWFULOBSZBGNDS-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]c(CN2CCC(C)(O)CC2)[nH+]c1C ZINC000628177205 344905813 /nfs/dbraw/zinc/90/58/13/344905813.db2.gz OWFULOBSZBGNDS-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000578765881 344914905 /nfs/dbraw/zinc/91/49/05/344914905.db2.gz QXSRRRGCTJIVMX-YNEHKIRRSA-N 1 2 247.342 1.691 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153715919 344958574 /nfs/dbraw/zinc/95/85/74/344958574.db2.gz URUMCSNIXRJFLK-ZDUSSCGKSA-N 1 2 249.314 1.559 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153715919 344958577 /nfs/dbraw/zinc/95/85/77/344958577.db2.gz URUMCSNIXRJFLK-ZDUSSCGKSA-N 1 2 249.314 1.559 20 0 BDADLO C[C@H](O)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579250373 344948352 /nfs/dbraw/zinc/94/83/52/344948352.db2.gz UTHKRAZGJWXMRW-QWRGUYRKSA-N 1 2 239.319 1.064 20 0 BDADLO COCC1(CNc2cc(CO)cc[nH+]2)CCC1 ZINC000641554490 362499135 /nfs/dbraw/zinc/49/91/35/362499135.db2.gz IIBLZOAWUYFZIH-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO CC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000154765425 345048944 /nfs/dbraw/zinc/04/89/44/345048944.db2.gz OGMCGHKNNZFBMB-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC2(CCC2)C1 ZINC000154122574 345016323 /nfs/dbraw/zinc/01/63/23/345016323.db2.gz LJWSSSOFEBZXLP-GORDUTHDSA-N 1 2 201.697 1.994 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC2(CCC2)C1 ZINC000154122574 345016327 /nfs/dbraw/zinc/01/63/27/345016327.db2.gz LJWSSSOFEBZXLP-GORDUTHDSA-N 1 2 201.697 1.994 20 0 BDADLO CC(C)(CO)CCNc1cc[nH+]cc1F ZINC000641615742 362548301 /nfs/dbraw/zinc/54/83/01/362548301.db2.gz QHSMCFYEXJPFPX-UHFFFAOYSA-N 1 2 212.268 1.463 20 0 BDADLO CC[C@@H](SC)C(=O)NCCn1cc[nH+]c1 ZINC000125224143 345071278 /nfs/dbraw/zinc/07/12/78/345071278.db2.gz DUSFGDICNLOSPZ-SECBINFHSA-N 1 2 227.333 1.141 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641620233 362551683 /nfs/dbraw/zinc/55/16/83/362551683.db2.gz QGNNOHKKOKGYHD-GHMZBOCLSA-N 1 2 222.288 1.553 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/C1CC1 ZINC000080005957 345078232 /nfs/dbraw/zinc/07/82/32/345078232.db2.gz RIUPYJRVUNCHHA-SNAWJCMRSA-N 1 2 205.261 1.003 20 0 BDADLO CC(C)(O)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408291132 345057383 /nfs/dbraw/zinc/05/73/83/345057383.db2.gz MYIMKGHRJVWHTA-SECBINFHSA-N 1 2 237.303 1.234 20 0 BDADLO CC(C)[C@H](CO)CNc1cc(CO)cc[nH+]1 ZINC000641604887 362542520 /nfs/dbraw/zinc/54/25/20/362542520.db2.gz PMYIZHZHSFFUIU-NSHDSACASA-N 1 2 224.304 1.250 20 0 BDADLO C[C@@H]1[C@@H](CO)CCCN1c1cc(CO)cc[nH+]1 ZINC000641638796 362567688 /nfs/dbraw/zinc/56/76/88/362567688.db2.gz SWHSSXAIXUOWFY-ZYHUDNBSSA-N 1 2 236.315 1.171 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000641645519 362572585 /nfs/dbraw/zinc/57/25/85/362572585.db2.gz FSNZYWBODWKYGB-SKDRFNHKSA-N 1 2 222.263 1.836 20 0 BDADLO CC[C@H](C)C[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641646515 362572634 /nfs/dbraw/zinc/57/26/34/362572634.db2.gz UBYAIHBCPDLWES-CMPLNLGQSA-N 1 2 238.331 1.783 20 0 BDADLO CCC[C@H](C)[C@H](CO)Nc1cc[nH+]cc1F ZINC000641649832 362577732 /nfs/dbraw/zinc/57/77/32/362577732.db2.gz LOWDPKABWPCGDU-CABZTGNLSA-N 1 2 226.295 1.852 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@H](Cn2ccnn2)C1 ZINC000641657518 362580995 /nfs/dbraw/zinc/58/09/95/362580995.db2.gz SUOCECTYBNWABL-SNVBAGLBSA-N 1 2 247.277 1.339 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)c2ncnn21 ZINC000641656667 362581556 /nfs/dbraw/zinc/58/15/56/362581556.db2.gz KNPVPXUZKFBZPB-SCZZXKLOSA-N 1 2 245.286 1.283 20 0 BDADLO CC1(C)C[C@@H](Nc2cc[nH+]cc2F)CO1 ZINC000641657179 362581574 /nfs/dbraw/zinc/58/15/74/362581574.db2.gz PIEYQNDMEDECME-MRVPVSSYSA-N 1 2 210.252 1.622 20 0 BDADLO Fc1c[nH+]ccc1NCCC[C@H]1CCOC1 ZINC000641629824 362560352 /nfs/dbraw/zinc/56/03/52/362560352.db2.gz OMAZFIMQHDYPMX-JTQLQIEISA-N 1 2 224.279 1.871 20 0 BDADLO CC[C@@](C)(CNc1cc(CO)cc[nH+]1)OC ZINC000641631442 362562907 /nfs/dbraw/zinc/56/29/07/362562907.db2.gz CQPAEACKVWVVLR-LBPRGKRZSA-N 1 2 224.304 1.801 20 0 BDADLO Cc1ccc[nH+]c1CCCNc1ncncc1C ZINC000641635037 362565115 /nfs/dbraw/zinc/56/51/15/362565115.db2.gz LUXVOBOXOCIKTO-UHFFFAOYSA-N 1 2 242.326 1.955 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156432984 345157274 /nfs/dbraw/zinc/15/72/74/345157274.db2.gz ODINZPUDVJFDRT-SDDRHHMPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156432984 345157276 /nfs/dbraw/zinc/15/72/76/345157276.db2.gz ODINZPUDVJFDRT-SDDRHHMPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156432655 345157438 /nfs/dbraw/zinc/15/74/38/345157438.db2.gz ODINZPUDVJFDRT-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156432655 345157441 /nfs/dbraw/zinc/15/74/41/345157441.db2.gz ODINZPUDVJFDRT-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635056477 345230295 /nfs/dbraw/zinc/23/02/95/345230295.db2.gz BMSFWTFZUZGOQM-IWSPIJDZSA-N 1 2 207.277 1.428 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635056477 345230297 /nfs/dbraw/zinc/23/02/97/345230297.db2.gz BMSFWTFZUZGOQM-IWSPIJDZSA-N 1 2 207.277 1.428 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635205582 345271736 /nfs/dbraw/zinc/27/17/36/345271736.db2.gz WXMYMOTUZTZOTD-PHDIDXHHSA-N 1 2 233.193 1.192 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635205582 345271739 /nfs/dbraw/zinc/27/17/39/345271739.db2.gz WXMYMOTUZTZOTD-PHDIDXHHSA-N 1 2 233.193 1.192 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)CC(C)C)[nH+]1 ZINC000635246731 345283442 /nfs/dbraw/zinc/28/34/42/345283442.db2.gz CPCRLFGKKBHGGE-UHFFFAOYSA-N 1 2 223.320 1.629 20 0 BDADLO CCN(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635247722 345283952 /nfs/dbraw/zinc/28/39/52/345283952.db2.gz VVZANDBOFQCKTO-MRVPVSSYSA-N 1 2 249.236 1.855 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H]2C[C@H]2C)[nH+]1 ZINC000635301287 345300380 /nfs/dbraw/zinc/30/03/80/345300380.db2.gz WXJRZNRBEYCKSZ-RKDXNWHRSA-N 1 2 221.304 1.287 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C2CCC1CC2 ZINC000562241286 345311126 /nfs/dbraw/zinc/31/11/26/345311126.db2.gz YOGNUBBSLRFSPP-UHFFFAOYSA-N 1 2 219.288 1.496 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC000635426474 345363296 /nfs/dbraw/zinc/36/32/96/345363296.db2.gz XGBYVONTSVPCRT-NXEZZACHSA-N 1 2 233.315 1.962 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC000635426474 345363298 /nfs/dbraw/zinc/36/32/98/345363298.db2.gz XGBYVONTSVPCRT-NXEZZACHSA-N 1 2 233.315 1.962 20 0 BDADLO Cc1cc(N)nc(SCC[C@@H]2CCOC2)[nH+]1 ZINC000400649514 345369044 /nfs/dbraw/zinc/36/90/44/345369044.db2.gz MVZMALVIFWANMK-VIFPVBQESA-N 1 2 239.344 1.716 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635440101 345370599 /nfs/dbraw/zinc/37/05/99/345370599.db2.gz SKBZTBGWDZIYSA-JTQLQIEISA-N 1 2 237.303 1.714 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635440101 345370601 /nfs/dbraw/zinc/37/06/01/345370601.db2.gz SKBZTBGWDZIYSA-JTQLQIEISA-N 1 2 237.303 1.714 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCOCC2)[nH+]1 ZINC000080761830 345449266 /nfs/dbraw/zinc/44/92/66/345449266.db2.gz LUUMWMHAKFGSRL-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@@H]3C[C@H]3C)cc2[nH+]1 ZINC000635487262 345392015 /nfs/dbraw/zinc/39/20/15/345392015.db2.gz PFQJHTSRNGKUMO-LDYMZIIASA-N 1 2 229.283 1.781 20 0 BDADLO C[N@H+](CC(=O)NCC1CC1)Cc1cccc(O)c1 ZINC000080918176 345451570 /nfs/dbraw/zinc/45/15/70/345451570.db2.gz LFCUGCGSMSOHGD-UHFFFAOYSA-N 1 2 248.326 1.350 20 0 BDADLO C[N@@H+](CC(=O)NCC1CC1)Cc1cccc(O)c1 ZINC000080918176 345451571 /nfs/dbraw/zinc/45/15/71/345451571.db2.gz LFCUGCGSMSOHGD-UHFFFAOYSA-N 1 2 248.326 1.350 20 0 BDADLO CO[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635490564 345396950 /nfs/dbraw/zinc/39/69/50/345396950.db2.gz SAOCTEVXSJWYDQ-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CO[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635490564 345396952 /nfs/dbraw/zinc/39/69/52/345396952.db2.gz SAOCTEVXSJWYDQ-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635498858 345401638 /nfs/dbraw/zinc/40/16/38/345401638.db2.gz JHTDJVIXVMQNJS-GHMZBOCLSA-N 1 2 233.315 1.914 20 0 BDADLO CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635498858 345401641 /nfs/dbraw/zinc/40/16/41/345401641.db2.gz JHTDJVIXVMQNJS-GHMZBOCLSA-N 1 2 233.315 1.914 20 0 BDADLO C[C@@H](CNC(=O)/C=C/C1CC1)Cn1cc[nH+]c1 ZINC000081801298 345492563 /nfs/dbraw/zinc/49/25/63/345492563.db2.gz RCNRKNHGWXHXLJ-ZWNMCFTASA-N 1 2 233.315 1.602 20 0 BDADLO C[C@H](CNC(=O)CC1CCC1)Cn1cc[nH+]c1 ZINC000081798418 345492745 /nfs/dbraw/zinc/49/27/45/345492745.db2.gz FZTOIPCIJGPRMK-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1cc(N2Cc3cnn(C)c3C2)nc[nH+]1 ZINC000641675251 362596120 /nfs/dbraw/zinc/59/61/20/362596120.db2.gz JUTWHSPMJVNHHF-UHFFFAOYSA-N 1 2 215.260 1.039 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641661585 362586040 /nfs/dbraw/zinc/58/60/40/362586040.db2.gz XNDOLARTCZCTCD-WCBMZHEXSA-N 1 2 210.252 1.570 20 0 BDADLO Cc1cncc(CCNc2cc(CO)cc[nH+]2)n1 ZINC000641660672 362588166 /nfs/dbraw/zinc/58/81/66/362588166.db2.gz IQGDKUYLXUIUCC-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000641667003 362589351 /nfs/dbraw/zinc/58/93/51/362589351.db2.gz OOADXHMRYOSQFO-ZJUUUORDSA-N 1 2 222.263 1.693 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC(C)(C)C2)o1 ZINC000083415310 345505731 /nfs/dbraw/zinc/50/57/31/345505731.db2.gz XCNVPTGEOWFARQ-UHFFFAOYSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC(C)(C)C2)o1 ZINC000083415310 345505732 /nfs/dbraw/zinc/50/57/32/345505732.db2.gz XCNVPTGEOWFARQ-UHFFFAOYSA-N 1 2 241.360 1.959 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCOC2)[nH+]1 ZINC000080986112 345457934 /nfs/dbraw/zinc/45/79/34/345457934.db2.gz DYNSPCCNYBBBSF-SECBINFHSA-N 1 2 232.287 1.857 20 0 BDADLO CCCN(CCO)c1[nH+]c(C)nc2[nH]ccc21 ZINC000081002455 345458256 /nfs/dbraw/zinc/45/82/56/345458256.db2.gz GHAWTZCSYQZWTC-UHFFFAOYSA-N 1 2 234.303 1.475 20 0 BDADLO CCc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000081436881 345474647 /nfs/dbraw/zinc/47/46/47/345474647.db2.gz UMPIJGFFMCTQEI-UHFFFAOYSA-N 1 2 243.310 1.762 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170030685 345531202 /nfs/dbraw/zinc/53/12/02/345531202.db2.gz XULYZVGZKPXJSR-SSDOTTSWSA-N 1 2 247.220 1.124 20 0 BDADLO Cc1csc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000118405154 345539778 /nfs/dbraw/zinc/53/97/78/345539778.db2.gz QIVLMOCRRIEOBU-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CCOC(=O)C[C@H](C)CNc1cc(C)[nH+]cn1 ZINC000089650187 345558308 /nfs/dbraw/zinc/55/83/08/345558308.db2.gz FNWHYHFSJVQPMM-VIFPVBQESA-N 1 2 237.303 1.786 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000090007481 345562033 /nfs/dbraw/zinc/56/20/33/345562033.db2.gz PHEFQXCUZCORDJ-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000090007481 345562037 /nfs/dbraw/zinc/56/20/37/345562037.db2.gz PHEFQXCUZCORDJ-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO CCC(CC)C[N@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000091538720 345597300 /nfs/dbraw/zinc/59/73/00/345597300.db2.gz MPXBECPJAAJPCM-UHFFFAOYSA-N 1 2 226.324 1.356 20 0 BDADLO CCC(CC)C[N@@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000091538720 345597302 /nfs/dbraw/zinc/59/73/02/345597302.db2.gz MPXBECPJAAJPCM-UHFFFAOYSA-N 1 2 226.324 1.356 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2n[nH]c(=O)[nH]2)cc1 ZINC000091535168 345597569 /nfs/dbraw/zinc/59/75/69/345597569.db2.gz TWCUZMPHFQRBMV-UHFFFAOYSA-N 1 2 246.314 1.705 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)[nH]2)cc1 ZINC000091535168 345597571 /nfs/dbraw/zinc/59/75/71/345597571.db2.gz TWCUZMPHFQRBMV-UHFFFAOYSA-N 1 2 246.314 1.705 20 0 BDADLO C[N@H+](CCC1CCCCC1)Cc1n[nH]c(=O)[nH]1 ZINC000091553798 345598368 /nfs/dbraw/zinc/59/83/68/345598368.db2.gz SWCMHLRHVXMONO-UHFFFAOYSA-N 1 2 238.335 1.500 20 0 BDADLO C[N@@H+](CCC1CCCCC1)Cc1n[nH]c(=O)[nH]1 ZINC000091553798 345598370 /nfs/dbraw/zinc/59/83/70/345598370.db2.gz SWCMHLRHVXMONO-UHFFFAOYSA-N 1 2 238.335 1.500 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]cc2F)CC[S@]1=O ZINC000603358103 349932471 /nfs/dbraw/zinc/93/24/71/349932471.db2.gz JDTBCLGHTPPRIO-JDNHERCYSA-N 1 2 242.319 1.568 20 0 BDADLO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091623155 345601274 /nfs/dbraw/zinc/60/12/74/345601274.db2.gz FUSWSQRTAAOSFW-VHSXEESVSA-N 1 2 238.335 1.499 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000092217021 345608692 /nfs/dbraw/zinc/60/86/92/345608692.db2.gz MLXMOVRDYCBQIP-UHFFFAOYSA-N 1 2 238.287 1.472 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000092096481 345616290 /nfs/dbraw/zinc/61/62/90/345616290.db2.gz FAKVIHUCHURZSR-VIFPVBQESA-N 1 2 242.706 1.643 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)o1 ZINC000092096481 345616291 /nfs/dbraw/zinc/61/62/91/345616291.db2.gz FAKVIHUCHURZSR-VIFPVBQESA-N 1 2 242.706 1.643 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1occc1C ZINC000092399657 345618566 /nfs/dbraw/zinc/61/85/66/345618566.db2.gz TUSRKUQZBBAUTH-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1occc1C ZINC000092399657 345618570 /nfs/dbraw/zinc/61/85/70/345618570.db2.gz TUSRKUQZBBAUTH-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000092346939 345631734 /nfs/dbraw/zinc/63/17/34/345631734.db2.gz CDNFRZMVCMWOBQ-RKDXNWHRSA-N 1 2 236.271 1.454 20 0 BDADLO Cc1n[nH]cc1C[N@H+](CCO)Cc1cccnc1 ZINC000093086477 345657107 /nfs/dbraw/zinc/65/71/07/345657107.db2.gz JAZHHLDJIMNUGO-UHFFFAOYSA-N 1 2 246.314 1.108 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](CCO)Cc1cccnc1 ZINC000093086477 345657109 /nfs/dbraw/zinc/65/71/09/345657109.db2.gz JAZHHLDJIMNUGO-UHFFFAOYSA-N 1 2 246.314 1.108 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000093529233 345662216 /nfs/dbraw/zinc/66/22/16/345662216.db2.gz IXHLLFJRXINCSR-NSHDSACASA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000093529233 345662222 /nfs/dbraw/zinc/66/22/22/345662222.db2.gz IXHLLFJRXINCSR-NSHDSACASA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000093529235 345662463 /nfs/dbraw/zinc/66/24/63/345662463.db2.gz IXHLLFJRXINCSR-LLVKDONJSA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000093529235 345662465 /nfs/dbraw/zinc/66/24/65/345662465.db2.gz IXHLLFJRXINCSR-LLVKDONJSA-N 1 2 225.288 1.435 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1occc1C ZINC000093771730 345664774 /nfs/dbraw/zinc/66/47/74/345664774.db2.gz PCDGWCGCCOAIHD-NSHDSACASA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1occc1C ZINC000093771730 345664776 /nfs/dbraw/zinc/66/47/76/345664776.db2.gz PCDGWCGCCOAIHD-NSHDSACASA-N 1 2 236.315 1.689 20 0 BDADLO FC(F)c1nnc2ccc(-n3cc[nH+]c3)nn21 ZINC000092583346 345640073 /nfs/dbraw/zinc/64/00/73/345640073.db2.gz JMTDMKRBHAXFSZ-UHFFFAOYSA-N 1 2 236.185 1.248 20 0 BDADLO O[C@]12C[C@H]1CN(c1[nH+]ccc3ccccc31)C2 ZINC000641711156 362620801 /nfs/dbraw/zinc/62/08/01/362620801.db2.gz GMAPZFAJPARTPU-FZMZJTMJSA-N 1 2 226.279 1.806 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc3ccccc3c[nH+]1)C2 ZINC000641711437 362620894 /nfs/dbraw/zinc/62/08/94/362620894.db2.gz IWPSZESTJQVVIT-JSGCOSHPSA-N 1 2 226.279 1.806 20 0 BDADLO CCOC[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641677720 362599874 /nfs/dbraw/zinc/59/98/74/362599874.db2.gz DLGSNFLSYCSJNW-JTQLQIEISA-N 1 2 240.278 1.462 20 0 BDADLO FCC[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641677978 362600080 /nfs/dbraw/zinc/60/00/80/362600080.db2.gz GJYJTFCTKKGTBP-VIFPVBQESA-N 1 2 228.242 1.786 20 0 BDADLO FCC[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641677977 362600165 /nfs/dbraw/zinc/60/01/65/362600165.db2.gz GJYJTFCTKKGTBP-SECBINFHSA-N 1 2 228.242 1.786 20 0 BDADLO CC(C)CC[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641678232 362600257 /nfs/dbraw/zinc/60/02/57/362600257.db2.gz SOQCCXLXLCOICP-JTQLQIEISA-N 1 2 226.295 1.852 20 0 BDADLO OCc1cc[nH+]c(NCC[C@H](O)C(F)F)c1 ZINC000641681157 362603644 /nfs/dbraw/zinc/60/36/44/362603644.db2.gz AMZYDZQHPQSWQM-QMMMGPOBSA-N 1 2 232.230 1.002 20 0 BDADLO CCc1cc(NCC2CSC2)nc[nH+]1 ZINC000641682813 362604770 /nfs/dbraw/zinc/60/47/70/362604770.db2.gz RLTRTXIOKUZPCR-UHFFFAOYSA-N 1 2 209.318 1.236 20 0 BDADLO Cc1ncc2c(n1)CC[N@@H+](Cc1nccn1C)C2 ZINC000139837074 345698379 /nfs/dbraw/zinc/69/83/79/345698379.db2.gz QCPPHLJMYVXZAI-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1ncc2c(n1)CC[N@H+](Cc1nccn1C)C2 ZINC000139837074 345698382 /nfs/dbraw/zinc/69/83/82/345698382.db2.gz QCPPHLJMYVXZAI-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO C[C@@H]1C[C@@H]1Cn1cc[nH+]c1CN1CCOCC1 ZINC000641728417 362648866 /nfs/dbraw/zinc/64/88/66/362648866.db2.gz SGPXNELVABNQPS-VXGBXAGGSA-N 1 2 235.331 1.371 20 0 BDADLO CC(C)CCn1cc[nH+]c1CN1CCOCC1 ZINC000641724054 362639671 /nfs/dbraw/zinc/63/96/71/362639671.db2.gz AKQLWZDKRAOPIG-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000082791785 345759370 /nfs/dbraw/zinc/75/93/70/345759370.db2.gz COQZFECKBCZFFN-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2cc(OC)ccc2C1 ZINC000082791785 345759373 /nfs/dbraw/zinc/75/93/73/345759373.db2.gz COQZFECKBCZFFN-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000147430027 345711085 /nfs/dbraw/zinc/71/10/85/345711085.db2.gz GWPLJULKVWVQOK-LLVKDONJSA-N 1 2 241.294 1.697 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000147430027 345711086 /nfs/dbraw/zinc/71/10/86/345711086.db2.gz GWPLJULKVWVQOK-LLVKDONJSA-N 1 2 241.294 1.697 20 0 BDADLO CC(=O)CCC(=O)NCCCCn1cc[nH+]c1 ZINC000203577900 345731311 /nfs/dbraw/zinc/73/13/11/345731311.db2.gz MPLWFABPTDEYOT-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccc[nH]1 ZINC000135395514 345771288 /nfs/dbraw/zinc/77/12/88/345771288.db2.gz IXCXCLNZZQMZQS-UHFFFAOYSA-N 1 2 203.201 1.368 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1C ZINC000141000267 345827997 /nfs/dbraw/zinc/82/79/97/345827997.db2.gz AXPWANDWNVAVFW-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO Cc1noc(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000141108087 345836278 /nfs/dbraw/zinc/83/62/78/345836278.db2.gz NVLSSTKPFOZUHV-SSDOTTSWSA-N 1 2 234.259 1.506 20 0 BDADLO Fc1ccc2c(c1)OCC[N@H+]([C@@H]1CCOC1)C2 ZINC000626153218 345836636 /nfs/dbraw/zinc/83/66/36/345836636.db2.gz ABUBNIDPOJFVDU-GFCCVEGCSA-N 1 2 237.274 1.809 20 0 BDADLO Fc1ccc2c(c1)OCC[N@@H+]([C@@H]1CCOC1)C2 ZINC000626153218 345836637 /nfs/dbraw/zinc/83/66/37/345836637.db2.gz ABUBNIDPOJFVDU-GFCCVEGCSA-N 1 2 237.274 1.809 20 0 BDADLO COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635614585 345893547 /nfs/dbraw/zinc/89/35/47/345893547.db2.gz CQVXQVNSRFCBQU-RKDXNWHRSA-N 1 2 237.303 1.054 20 0 BDADLO COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635614585 345893549 /nfs/dbraw/zinc/89/35/49/345893549.db2.gz CQVXQVNSRFCBQU-RKDXNWHRSA-N 1 2 237.303 1.054 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](C)[C@H]2C)[nH+]1 ZINC000635650383 345928478 /nfs/dbraw/zinc/92/84/78/345928478.db2.gz XQPVNIFHFHKGTB-NXEZZACHSA-N 1 2 235.331 1.772 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccco1 ZINC000340530517 537921343 /nfs/dbraw/zinc/92/13/43/537921343.db2.gz FDFYXMXZEVJVNK-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N1C[C@H](O)[C@@H](O)C1 ZINC000235874622 345956014 /nfs/dbraw/zinc/95/60/14/345956014.db2.gz QBGMSWXDLBWPMS-STQMWFEESA-N 1 2 244.294 1.085 20 0 BDADLO CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000635656617 345936567 /nfs/dbraw/zinc/93/65/67/345936567.db2.gz OEISSLQCUGYMAI-NXEZZACHSA-N 1 2 233.315 1.820 20 0 BDADLO CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000635656617 345936570 /nfs/dbraw/zinc/93/65/70/345936570.db2.gz OEISSLQCUGYMAI-NXEZZACHSA-N 1 2 233.315 1.820 20 0 BDADLO COCCCCN(C)c1cc[nH+]c(C)n1 ZINC000419013891 192093478 /nfs/dbraw/zinc/09/34/78/192093478.db2.gz ISCURDIYFXJHCA-UHFFFAOYSA-N 1 2 209.293 1.648 20 0 BDADLO C[C@H]1[C@@H](C)N(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC000419018776 192094139 /nfs/dbraw/zinc/09/41/39/192094139.db2.gz PXVHPODNDATPLJ-OPRDCNLKSA-N 1 2 245.330 1.844 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cn[nH]c1 ZINC000635738026 346045273 /nfs/dbraw/zinc/04/52/73/346045273.db2.gz HZEBEQPIBPMMLX-FXBDTBDDSA-N 1 2 245.286 1.114 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000635738026 346045275 /nfs/dbraw/zinc/04/52/75/346045275.db2.gz HZEBEQPIBPMMLX-FXBDTBDDSA-N 1 2 245.286 1.114 20 0 BDADLO C[C@@H](CC(=O)NCC(C)(C)C)n1cc[nH+]c1 ZINC000563221797 323104801 /nfs/dbraw/zinc/10/48/01/323104801.db2.gz DVXMTBVYNUXPGN-JTQLQIEISA-N 1 2 223.320 1.997 20 0 BDADLO CCc1c[nH]c(CC(=O)N2[C@H](C)C[C@@H]2C)[nH+]1 ZINC000635875904 346096150 /nfs/dbraw/zinc/09/61/50/346096150.db2.gz RNPUHXPVMRONSA-DTORHVGOSA-N 1 2 221.304 1.524 20 0 BDADLO CO[C@H](CNc1cc(C)[nH+]cn1)CC(C)C ZINC000418995014 192096057 /nfs/dbraw/zinc/09/60/57/192096057.db2.gz QOXFMBHNGZAGTP-NSHDSACASA-N 1 2 223.320 1.680 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000169798190 346103215 /nfs/dbraw/zinc/10/32/15/346103215.db2.gz VHRRANQJSZNIJM-LLVKDONJSA-N 1 2 242.282 1.023 20 0 BDADLO CC(C)C[C@@H](C(=O)N[C@H](C)CF)n1cc[nH+]c1 ZINC000635932518 346113148 /nfs/dbraw/zinc/11/31/48/346113148.db2.gz BGNUFMWSHNBBFM-MNOVXSKESA-N 1 2 241.310 1.945 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@H](C)CF)cc2[nH+]1 ZINC000635935446 346113914 /nfs/dbraw/zinc/11/39/14/346113914.db2.gz XDWINZKJOVSBQC-MRVPVSSYSA-N 1 2 235.262 1.731 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC[C@@H]2C)[nH+]1 ZINC000635927041 346117102 /nfs/dbraw/zinc/11/71/02/346117102.db2.gz WVKVMMJVTRZHJM-WPRPVWTQSA-N 1 2 221.304 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2conc2C)[nH+]1 ZINC000635982243 346147171 /nfs/dbraw/zinc/14/71/71/346147171.db2.gz CTJKIHVZTPEZIN-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO Cc1[nH]c(CN2CC[C@H](O)[C@@H](C)C2)[nH+]c1C ZINC000628242190 346201974 /nfs/dbraw/zinc/20/19/74/346201974.db2.gz UZLUNDCZSWHCPA-KWQFWETISA-N 1 2 223.320 1.229 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000628244885 346209196 /nfs/dbraw/zinc/20/91/96/346209196.db2.gz YUOUJJURPOZSGH-JTQLQIEISA-N 1 2 223.320 1.311 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000628244885 346209201 /nfs/dbraw/zinc/20/92/01/346209201.db2.gz YUOUJJURPOZSGH-JTQLQIEISA-N 1 2 223.320 1.311 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)[nH+]1 ZINC000628244816 346209238 /nfs/dbraw/zinc/20/92/38/346209238.db2.gz WULLGPSRISYVCJ-AXFHLTTASA-N 1 2 223.320 1.716 20 0 BDADLO Cc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000299313312 179009826 /nfs/dbraw/zinc/00/98/26/179009826.db2.gz CBEJUMXHOJLZLR-UHFFFAOYSA-N 1 2 245.326 1.310 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)[nH+]1 ZINC000628255529 346249201 /nfs/dbraw/zinc/24/92/01/346249201.db2.gz PYFAKWITRYJXGZ-JQWIXIFHSA-N 1 2 235.331 1.717 20 0 BDADLO CCc1cc(NC[C@@](C)(O)[C@@H](C)CC)nc[nH+]1 ZINC000603393994 349945272 /nfs/dbraw/zinc/94/52/72/349945272.db2.gz LTOWLRKONSVQGV-GXFFZTMASA-N 1 2 237.347 1.670 20 0 BDADLO COCc1cc(C[NH2+]C2(COC)CC2)no1 ZINC000641740710 362666184 /nfs/dbraw/zinc/66/61/84/362666184.db2.gz NKDTWGLFGQBLNA-UHFFFAOYSA-N 1 2 226.276 1.090 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@H]3CC34CC4)cc2[nH+]1 ZINC000636055963 346303012 /nfs/dbraw/zinc/30/30/12/346303012.db2.gz GIFJGCOISJYGJF-NSHDSACASA-N 1 2 241.294 1.925 20 0 BDADLO Cc1c[nH]c(CN(C)C[C@@H](O)C(F)(F)F)[nH+]1 ZINC000628280181 346290627 /nfs/dbraw/zinc/29/06/27/346290627.db2.gz UNWGVWXLJQHCKY-SSDOTTSWSA-N 1 2 237.225 1.073 20 0 BDADLO Cc1cccc(C)c1OC[C@H](O)Cn1cc[nH+]c1 ZINC000005612624 179047434 /nfs/dbraw/zinc/04/74/34/179047434.db2.gz PLQPLSRTZXSZCY-CYBMUJFWSA-N 1 2 246.310 1.940 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332982243 537971768 /nfs/dbraw/zinc/97/17/68/537971768.db2.gz PCMUDYBFRUINNB-VHSXEESVSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295034482 179070770 /nfs/dbraw/zinc/07/07/70/179070770.db2.gz OFGDDOZSTRRDFO-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295034482 179070772 /nfs/dbraw/zinc/07/07/72/179070772.db2.gz OFGDDOZSTRRDFO-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Cc1cccc(C[NH+]2CC(n3ccnn3)C2)c1F ZINC000336225959 179073901 /nfs/dbraw/zinc/07/39/01/179073901.db2.gz GSIVNVPRDZBEHM-UHFFFAOYSA-N 1 2 246.289 1.783 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1F ZINC000679220073 488318564 /nfs/dbraw/zinc/31/85/64/488318564.db2.gz DTPNELSILZXSTR-QWRGUYRKSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1F ZINC000679220073 488318566 /nfs/dbraw/zinc/31/85/66/488318566.db2.gz DTPNELSILZXSTR-QWRGUYRKSA-N 1 2 228.311 1.289 20 0 BDADLO CC(=O)N1CC[C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000176547618 365815147 /nfs/dbraw/zinc/81/51/47/365815147.db2.gz VGPPGBNVOBZEPP-LLVKDONJSA-N 1 2 247.298 1.197 20 0 BDADLO CCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866039 346467175 /nfs/dbraw/zinc/46/71/75/346467175.db2.gz LNCYUVSFVBRTCP-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866039 346467177 /nfs/dbraw/zinc/46/71/77/346467177.db2.gz LNCYUVSFVBRTCP-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)CC2(C)CC2)CCO1 ZINC000574971477 346476131 /nfs/dbraw/zinc/47/61/31/346476131.db2.gz WVAQYVHTIMPAHJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)CC2(C)CC2)CCO1 ZINC000574971477 346476133 /nfs/dbraw/zinc/47/61/33/346476133.db2.gz WVAQYVHTIMPAHJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1CC[N@@H+]2[C@@H](C1)C(=O)NC21CCSCC1 ZINC000186596451 346524515 /nfs/dbraw/zinc/52/45/15/346524515.db2.gz QTKXJTRGZMNVHM-UWVGGRQHSA-N 1 2 240.372 1.440 20 0 BDADLO C[C@H]1CC[N@H+]2[C@@H](C1)C(=O)NC21CCSCC1 ZINC000186596451 346524518 /nfs/dbraw/zinc/52/45/18/346524518.db2.gz QTKXJTRGZMNVHM-UWVGGRQHSA-N 1 2 240.372 1.440 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226418 488322415 /nfs/dbraw/zinc/32/24/15/488322415.db2.gz SAWVUTGPSFNZCL-DCAQKATOSA-N 1 2 230.327 1.581 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226418 488322416 /nfs/dbraw/zinc/32/24/16/488322416.db2.gz SAWVUTGPSFNZCL-DCAQKATOSA-N 1 2 230.327 1.581 20 0 BDADLO O=C([C@@H]1CCCS1)N1CC(n2cc[nH+]c2)C1 ZINC000525775252 259391060 /nfs/dbraw/zinc/39/10/60/259391060.db2.gz SDHYCYNFNSIMEN-JTQLQIEISA-N 1 2 237.328 1.162 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000069642244 362767609 /nfs/dbraw/zinc/76/76/09/362767609.db2.gz WNIUMAOCCUCVEB-SNVBAGLBSA-N 1 2 223.320 1.815 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226427 488322109 /nfs/dbraw/zinc/32/21/09/488322109.db2.gz SAWVUTGPSFNZCL-VWYCJHECSA-N 1 2 230.327 1.581 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226427 488322111 /nfs/dbraw/zinc/32/21/11/488322111.db2.gz SAWVUTGPSFNZCL-VWYCJHECSA-N 1 2 230.327 1.581 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000621043558 346585846 /nfs/dbraw/zinc/58/58/46/346585846.db2.gz KJEINZWJXGAEBR-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000621043558 346585848 /nfs/dbraw/zinc/58/58/48/346585848.db2.gz KJEINZWJXGAEBR-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CCc1cc(N)nc(SCc2c[nH+]cn2C)n1 ZINC000580154435 346567916 /nfs/dbraw/zinc/56/79/16/346567916.db2.gz WFVMTBLPOYWDLE-UHFFFAOYSA-N 1 2 249.343 1.477 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)CCCO1 ZINC000589604857 346717816 /nfs/dbraw/zinc/71/78/16/346717816.db2.gz DKRIUCRATYUCMR-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)CCCO1 ZINC000589604857 346717817 /nfs/dbraw/zinc/71/78/17/346717817.db2.gz DKRIUCRATYUCMR-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1oc(C)nc1C ZINC000589254228 346679129 /nfs/dbraw/zinc/67/91/29/346679129.db2.gz AXWSLFXWQNOHBI-JTQLQIEISA-N 1 2 238.287 1.429 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1oc(C)nc1C ZINC000589254228 346679130 /nfs/dbraw/zinc/67/91/30/346679130.db2.gz AXWSLFXWQNOHBI-JTQLQIEISA-N 1 2 238.287 1.429 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccsc1 ZINC000580210312 346679832 /nfs/dbraw/zinc/67/98/32/346679832.db2.gz RBLKFHWCSWPLPZ-SECBINFHSA-N 1 2 249.339 1.966 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccsc1 ZINC000580210312 346679833 /nfs/dbraw/zinc/67/98/33/346679833.db2.gz RBLKFHWCSWPLPZ-SECBINFHSA-N 1 2 249.339 1.966 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2cccnc2)CCO1 ZINC000626174357 346757208 /nfs/dbraw/zinc/75/72/08/346757208.db2.gz PMXMQJXXLVGOAL-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2cccnc2)CCO1 ZINC000626174357 346757212 /nfs/dbraw/zinc/75/72/12/346757212.db2.gz PMXMQJXXLVGOAL-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)no1 ZINC000580657073 365852331 /nfs/dbraw/zinc/85/23/31/365852331.db2.gz IRFYQGMWLFVGDI-NBEYISGCSA-N 1 2 225.292 1.188 20 0 BDADLO Cc1cnc(C)nc1N[C@H](C)Cn1cc[nH+]c1 ZINC000580658769 365856184 /nfs/dbraw/zinc/85/61/84/365856184.db2.gz KFTFHGLUSSEQSA-SNVBAGLBSA-N 1 2 231.303 1.212 20 0 BDADLO CCn1c[nH+]cc1CN=c1[nH]oc(C)c1C ZINC000580703205 346791475 /nfs/dbraw/zinc/79/14/75/346791475.db2.gz JQYIOXNVXHOCSC-UHFFFAOYSA-N 1 2 220.276 1.542 20 0 BDADLO Cc1cccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368639054 179166606 /nfs/dbraw/zinc/16/66/06/179166606.db2.gz RSHXDFIRWYZROQ-UONOGXRCSA-N 1 2 233.311 1.847 20 0 BDADLO Cc1cccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368639054 179166609 /nfs/dbraw/zinc/16/66/09/179166609.db2.gz RSHXDFIRWYZROQ-UONOGXRCSA-N 1 2 233.311 1.847 20 0 BDADLO Cc1cc(NC(=O)N2CCOC[C@H]2C)c(C)c[nH+]1 ZINC000582056111 347147803 /nfs/dbraw/zinc/14/78/03/347147803.db2.gz DGPRNCJFGWFPTF-LLVKDONJSA-N 1 2 249.314 1.373 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1cnccn1 ZINC000184498864 347164793 /nfs/dbraw/zinc/16/47/93/347164793.db2.gz SCUSEUOJUOSRFU-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1cnccn1 ZINC000184498864 347164798 /nfs/dbraw/zinc/16/47/98/347164798.db2.gz SCUSEUOJUOSRFU-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO COc1ccc(CNc2nc(C)[nH+]cc2C)nc1 ZINC000580329041 347165951 /nfs/dbraw/zinc/16/59/51/347165951.db2.gz IVSVRONGHQLRAP-UHFFFAOYSA-N 1 2 244.298 1.531 20 0 BDADLO CCc1nnc(C[N@H+](C)Cc2ccccc2)[nH]1 ZINC000185166220 347192623 /nfs/dbraw/zinc/19/26/23/347192623.db2.gz JBYCZNCAPMBOEG-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1nnc(C[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000185166220 347192624 /nfs/dbraw/zinc/19/26/24/347192624.db2.gz JBYCZNCAPMBOEG-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO COc1cccc2c(NC[C@@H](O)CO)cc[nH+]c12 ZINC000039151637 347180872 /nfs/dbraw/zinc/18/08/72/347180872.db2.gz QRJOHIWUVSCNNW-SECBINFHSA-N 1 2 248.282 1.009 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H](C)COC ZINC000187147186 347249973 /nfs/dbraw/zinc/24/99/73/347249973.db2.gz AWEKGQFSFXSWEN-VIFPVBQESA-N 1 2 225.279 1.482 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H](C)COC ZINC000187147186 347249976 /nfs/dbraw/zinc/24/99/76/347249976.db2.gz AWEKGQFSFXSWEN-VIFPVBQESA-N 1 2 225.279 1.482 20 0 BDADLO Cc1[nH]c(CN(C(C)C)C2COC2)[nH+]c1C ZINC000628297138 347245052 /nfs/dbraw/zinc/24/50/52/347245052.db2.gz LEHWBPFQVINZCT-UHFFFAOYSA-N 1 2 223.320 1.636 20 0 BDADLO C[C@@H]1CC[N@H+](C[Si](C)(C)C)CCS1(=O)=O ZINC000191697176 347358189 /nfs/dbraw/zinc/35/81/89/347358189.db2.gz LLPYWUQFIWHBQT-SNVBAGLBSA-N 1 2 249.452 1.373 20 0 BDADLO C[C@@H]1CC[N@@H+](C[Si](C)(C)C)CCS1(=O)=O ZINC000191697176 347358191 /nfs/dbraw/zinc/35/81/91/347358191.db2.gz LLPYWUQFIWHBQT-SNVBAGLBSA-N 1 2 249.452 1.373 20 0 BDADLO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1nnn(C)n1 ZINC000330269581 179214948 /nfs/dbraw/zinc/21/49/48/179214948.db2.gz SCUXLHZGTDJFNA-LBPRGKRZSA-N 1 2 243.314 1.296 20 0 BDADLO Cc1nc(C[N@H+](CC(C)(C)O)C2CC2)no1 ZINC000189981476 347317712 /nfs/dbraw/zinc/31/77/12/347317712.db2.gz HAQOKRGDEKNAPZ-UHFFFAOYSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+](CC(C)(C)O)C2CC2)no1 ZINC000189981476 347317713 /nfs/dbraw/zinc/31/77/13/347317713.db2.gz HAQOKRGDEKNAPZ-UHFFFAOYSA-N 1 2 225.292 1.113 20 0 BDADLO CC[C@@H](C[NH2+]C(C)(C)c1noc(C)n1)OC ZINC000419219322 192106208 /nfs/dbraw/zinc/10/62/08/192106208.db2.gz HBECOXNBNAVQAO-VIFPVBQESA-N 1 2 227.308 1.628 20 0 BDADLO CSc1ccnc(NCc2c[nH+]cn2C)n1 ZINC000388389651 347380229 /nfs/dbraw/zinc/38/02/29/347380229.db2.gz BBONQAWZXVAGJN-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO CC(C)n1ccc(C[NH2+]Cc2cncn2C)n1 ZINC000388398384 347382655 /nfs/dbraw/zinc/38/26/55/347382655.db2.gz KWWJNGFPIWWYAT-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO CO[C@H](CC(C)C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921038 347450466 /nfs/dbraw/zinc/45/04/66/347450466.db2.gz CLYWWGSUAORGQS-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO CO[C@H](CC(C)C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921038 347450467 /nfs/dbraw/zinc/45/04/67/347450467.db2.gz CLYWWGSUAORGQS-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO CCCn1nccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921765 347451467 /nfs/dbraw/zinc/45/14/67/347451467.db2.gz BONFKUKSMSCABX-UHFFFAOYSA-N 1 2 247.302 1.288 20 0 BDADLO CCCn1nccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921765 347451469 /nfs/dbraw/zinc/45/14/69/347451469.db2.gz BONFKUKSMSCABX-UHFFFAOYSA-N 1 2 247.302 1.288 20 0 BDADLO Cc1cccc2[nH+]c(CS(C)(=O)=O)cn21 ZINC000106301689 179230348 /nfs/dbraw/zinc/23/03/48/179230348.db2.gz YUSNWLFQJNLOEQ-UHFFFAOYSA-N 1 2 224.285 1.187 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000616922121 347452640 /nfs/dbraw/zinc/45/26/40/347452640.db2.gz QCXPHPACBNFURA-SCVCMEIPSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000616922121 347452641 /nfs/dbraw/zinc/45/26/41/347452641.db2.gz QCXPHPACBNFURA-SCVCMEIPSA-N 1 2 233.315 1.804 20 0 BDADLO COCCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924252 347454909 /nfs/dbraw/zinc/45/49/09/347454909.db2.gz BPEZMZOJVGTNGC-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO COCCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924252 347454910 /nfs/dbraw/zinc/45/49/10/347454910.db2.gz BPEZMZOJVGTNGC-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC000616924446 347455178 /nfs/dbraw/zinc/45/51/78/347455178.db2.gz JWASVCYARCSURC-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC000616924446 347455180 /nfs/dbraw/zinc/45/51/80/347455180.db2.gz JWASVCYARCSURC-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CCSCC1 ZINC000616925694 347457138 /nfs/dbraw/zinc/45/71/38/347457138.db2.gz NFXWVOWJDSOREJ-UHFFFAOYSA-N 1 2 239.344 1.511 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CCSCC1 ZINC000616925694 347457141 /nfs/dbraw/zinc/45/71/41/347457141.db2.gz NFXWVOWJDSOREJ-UHFFFAOYSA-N 1 2 239.344 1.511 20 0 BDADLO COCC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000053259061 347445363 /nfs/dbraw/zinc/44/53/63/347445363.db2.gz FDMNIFWLQSILLR-NSHDSACASA-N 1 2 229.320 1.344 20 0 BDADLO CCc1[nH]ccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928738 347494802 /nfs/dbraw/zinc/49/48/02/347494802.db2.gz KIBLSCBEAKHQQP-UHFFFAOYSA-N 1 2 232.287 1.572 20 0 BDADLO CCc1[nH]ccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928738 347494805 /nfs/dbraw/zinc/49/48/05/347494805.db2.gz KIBLSCBEAKHQQP-UHFFFAOYSA-N 1 2 232.287 1.572 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928854 347496038 /nfs/dbraw/zinc/49/60/38/347496038.db2.gz OTBOVNXMHJRKAX-NXEZZACHSA-N 1 2 249.314 1.373 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928854 347496040 /nfs/dbraw/zinc/49/60/40/347496040.db2.gz OTBOVNXMHJRKAX-NXEZZACHSA-N 1 2 249.314 1.373 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1Cc2ccccc21 ZINC000616926017 347458144 /nfs/dbraw/zinc/45/81/44/347458144.db2.gz ZKKCAYSFIPGFGI-CYBMUJFWSA-N 1 2 241.294 1.708 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1Cc2ccccc21 ZINC000616926017 347458149 /nfs/dbraw/zinc/45/81/49/347458149.db2.gz ZKKCAYSFIPGFGI-CYBMUJFWSA-N 1 2 241.294 1.708 20 0 BDADLO CCc1cccnc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927016 347459544 /nfs/dbraw/zinc/45/95/44/347459544.db2.gz YMIPMGGSYAZWFO-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CCc1cccnc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927016 347459546 /nfs/dbraw/zinc/45/95/46/347459546.db2.gz YMIPMGGSYAZWFO-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)CCCOC1 ZINC000616927406 347459748 /nfs/dbraw/zinc/45/97/48/347459748.db2.gz IIXCUXDPTOUNTM-GFCCVEGCSA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)CCCOC1 ZINC000616927406 347459749 /nfs/dbraw/zinc/45/97/49/347459749.db2.gz IIXCUXDPTOUNTM-GFCCVEGCSA-N 1 2 237.303 1.185 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)co1 ZINC000616927162 347460614 /nfs/dbraw/zinc/46/06/14/347460614.db2.gz BQXGJSQIICKIGG-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)co1 ZINC000616927162 347460617 /nfs/dbraw/zinc/46/06/17/347460617.db2.gz BQXGJSQIICKIGG-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO CC(C)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000357959363 187378029 /nfs/dbraw/zinc/37/80/29/187378029.db2.gz WUTYFJFBRSAUBF-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCC(C)(F)F ZINC000590737572 347502052 /nfs/dbraw/zinc/50/20/52/347502052.db2.gz OCNLAHWUNUVYJW-UHFFFAOYSA-N 1 2 231.246 1.472 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)Cc1c[nH+]cn1C ZINC000616978020 347560682 /nfs/dbraw/zinc/56/06/82/347560682.db2.gz RXCCVZZECBAHHD-SNVBAGLBSA-N 1 2 223.320 1.610 20 0 BDADLO CO[C@@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000591181949 347625719 /nfs/dbraw/zinc/62/57/19/347625719.db2.gz XRBNUUZFMZWWOF-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cc1occc1CNC(=O)CCCn1cc[nH+]c1 ZINC000591152227 347626127 /nfs/dbraw/zinc/62/61/27/347626127.db2.gz CYJNHSKLTAYKLM-UHFFFAOYSA-N 1 2 247.298 1.881 20 0 BDADLO CSC[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000591673078 347684478 /nfs/dbraw/zinc/68/44/78/347684478.db2.gz KXGYFOVIUSWFKA-POYBYMJQSA-N 1 2 245.373 1.011 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](OC)C1CC1)C(C)(C)C ZINC000591845346 347706221 /nfs/dbraw/zinc/70/62/21/347706221.db2.gz NYGLOSFKWUVGJM-WDEREUQCSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C ZINC000278805835 179278749 /nfs/dbraw/zinc/27/87/49/179278749.db2.gz ZTJGSYAMEFVCIF-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C ZINC000278805835 179278750 /nfs/dbraw/zinc/27/87/50/179278750.db2.gz ZTJGSYAMEFVCIF-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CC[N@H+](CCSC)Cc1ncnn1CCF ZINC000592201870 347753918 /nfs/dbraw/zinc/75/39/18/347753918.db2.gz IQWPFNJLGBRNPH-UHFFFAOYSA-N 1 2 246.355 1.433 20 0 BDADLO CC[N@@H+](CCSC)Cc1ncnn1CCF ZINC000592201870 347753920 /nfs/dbraw/zinc/75/39/20/347753920.db2.gz IQWPFNJLGBRNPH-UHFFFAOYSA-N 1 2 246.355 1.433 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000531211334 347790740 /nfs/dbraw/zinc/79/07/40/347790740.db2.gz ULMHVNOIBCDMTJ-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000531211334 347790744 /nfs/dbraw/zinc/79/07/44/347790744.db2.gz ULMHVNOIBCDMTJ-VIFPVBQESA-N 1 2 223.276 1.168 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628300128 347858468 /nfs/dbraw/zinc/85/84/68/347858468.db2.gz PREQDQFLOSLYRW-SNVBAGLBSA-N 1 2 235.287 1.002 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628300128 347858470 /nfs/dbraw/zinc/85/84/70/347858470.db2.gz PREQDQFLOSLYRW-SNVBAGLBSA-N 1 2 235.287 1.002 20 0 BDADLO Cc1c[nH+]c(CN(C(C)C)[C@@H]2CCOC2)n1C ZINC000361082228 187381953 /nfs/dbraw/zinc/38/19/53/187381953.db2.gz OGFDRFDNTHWTEZ-GFCCVEGCSA-N 1 2 237.347 1.728 20 0 BDADLO CC(C)[N@H+](Cc1csnn1)[C@@H]1CCOC1 ZINC000361062012 187382355 /nfs/dbraw/zinc/38/23/55/187382355.db2.gz RWCPGLVAMVEYJG-SNVBAGLBSA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)[N@@H+](Cc1csnn1)[C@@H]1CCOC1 ZINC000361062012 187382356 /nfs/dbraw/zinc/38/23/56/187382356.db2.gz RWCPGLVAMVEYJG-SNVBAGLBSA-N 1 2 227.333 1.537 20 0 BDADLO C[C@H]1CN(C)CC[N@@H+]1Cc1cncs1 ZINC000334447078 323169644 /nfs/dbraw/zinc/16/96/44/323169644.db2.gz QAGBAVHZPJQRJK-VIFPVBQESA-N 1 2 211.334 1.279 20 0 BDADLO C[C@H]1CN(C)CC[N@H+]1Cc1cncs1 ZINC000334447078 323169645 /nfs/dbraw/zinc/16/96/45/323169645.db2.gz QAGBAVHZPJQRJK-VIFPVBQESA-N 1 2 211.334 1.279 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCCCC[C@H]1C)C(=O)OC ZINC000593625080 347917314 /nfs/dbraw/zinc/91/73/14/347917314.db2.gz IMOCOTCQSZTZCI-UTUOFQBUSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H](C[N@@H+]1CCN(CC(C)C)C(=O)C1)OC ZINC000419275535 192111276 /nfs/dbraw/zinc/11/12/76/192111276.db2.gz SEPCFICSHSARST-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@@H](C[N@H+]1CCN(CC(C)C)C(=O)C1)OC ZINC000419275535 192111278 /nfs/dbraw/zinc/11/12/78/192111278.db2.gz SEPCFICSHSARST-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@](C)(CNc1nc[nH+]c(N)c1OC)OC ZINC000323255092 347984723 /nfs/dbraw/zinc/98/47/23/347984723.db2.gz UUZYTTGRSAYTBA-LLVKDONJSA-N 1 2 240.307 1.294 20 0 BDADLO CC[C@](C)(CNc1[nH+]cnc(N)c1OC)OC ZINC000323255092 347984727 /nfs/dbraw/zinc/98/47/27/347984727.db2.gz UUZYTTGRSAYTBA-LLVKDONJSA-N 1 2 240.307 1.294 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCO)C1CCCCCC1 ZINC000594046218 347988364 /nfs/dbraw/zinc/98/83/64/347988364.db2.gz FYHKKEUWVMHCQY-LBPRGKRZSA-N 1 2 243.347 1.470 20 0 BDADLO CC(C)c1nc(N2CCCOCC2)cc[nH+]1 ZINC000371629393 187385238 /nfs/dbraw/zinc/38/52/38/187385238.db2.gz ZBUSIVFCSDYYKI-UHFFFAOYSA-N 1 2 221.304 1.827 20 0 BDADLO CSCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594211063 348022203 /nfs/dbraw/zinc/02/22/03/348022203.db2.gz FWCIDGLCXWYDNA-MRVPVSSYSA-N 1 2 227.333 1.068 20 0 BDADLO CSCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594211063 348022205 /nfs/dbraw/zinc/02/22/05/348022205.db2.gz FWCIDGLCXWYDNA-MRVPVSSYSA-N 1 2 227.333 1.068 20 0 BDADLO CCCC[C@H]([NH2+]CC1(COC)CC1)C(=O)OC ZINC000594551741 348068113 /nfs/dbraw/zinc/06/81/13/348068113.db2.gz CXMZHWLXQIMYQJ-NSHDSACASA-N 1 2 243.347 1.734 20 0 BDADLO CCC[C@@H]([NH2+]CC1(COC)CC1)C(=O)OCC ZINC000594552358 348068187 /nfs/dbraw/zinc/06/81/87/348068187.db2.gz VPLGBWZGQZDWGY-LLVKDONJSA-N 1 2 243.347 1.734 20 0 BDADLO CC(C)=C(F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371307065 187385616 /nfs/dbraw/zinc/38/56/16/187385616.db2.gz AISOKWRZZKDDIN-QMMMGPOBSA-N 1 2 237.278 1.647 20 0 BDADLO CC(C)=C(F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371307065 187385617 /nfs/dbraw/zinc/38/56/17/187385617.db2.gz AISOKWRZZKDDIN-QMMMGPOBSA-N 1 2 237.278 1.647 20 0 BDADLO Cc1cccn2cc(CC(=O)NC(C)C)[nH+]c12 ZINC000041287560 179356097 /nfs/dbraw/zinc/35/60/97/179356097.db2.gz NQTJLFGCRJZZPZ-UHFFFAOYSA-N 1 2 231.299 1.710 20 0 BDADLO CC(C)=C(F)C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000370530679 187386177 /nfs/dbraw/zinc/38/61/77/187386177.db2.gz HQPOPDKJRQXOKM-SECBINFHSA-N 1 2 237.278 1.578 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)C(=O)OC ZINC000594723472 348107828 /nfs/dbraw/zinc/10/78/28/348107828.db2.gz BMUDECFUBJIAAE-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C(=O)OC ZINC000594724110 348108401 /nfs/dbraw/zinc/10/84/01/348108401.db2.gz CVSAKKUCTFXYIT-IONNQARKSA-N 1 2 221.247 1.573 20 0 BDADLO CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C(=O)OC ZINC000594724108 348108532 /nfs/dbraw/zinc/10/85/32/348108532.db2.gz CVSAKKUCTFXYIT-APPZFPTMSA-N 1 2 221.247 1.573 20 0 BDADLO Cc1cccn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000336356228 179352226 /nfs/dbraw/zinc/35/22/26/179352226.db2.gz LAEWDVJMCSUZAJ-BETUJISGSA-N 1 2 248.326 1.020 20 0 BDADLO Cc1cccn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000336356228 179352228 /nfs/dbraw/zinc/35/22/28/179352228.db2.gz LAEWDVJMCSUZAJ-BETUJISGSA-N 1 2 248.326 1.020 20 0 BDADLO Cc1ccoc1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000616207926 348139722 /nfs/dbraw/zinc/13/97/22/348139722.db2.gz POKGMKKWSSFGEX-UHFFFAOYSA-N 1 2 247.298 1.223 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000616207555 348156188 /nfs/dbraw/zinc/15/61/88/348156188.db2.gz FWTMWXKQQIKPIE-URLYPYJESA-N 1 2 233.315 1.125 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000595311747 348223597 /nfs/dbraw/zinc/22/35/97/348223597.db2.gz WYQPFBJRTQMNPD-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO COC[C@](C)([NH2+]CC1CC=CC1)C(=O)OC ZINC000595405689 348240015 /nfs/dbraw/zinc/24/00/15/348240015.db2.gz BQHQDVFHVRHTQQ-LBPRGKRZSA-N 1 2 227.304 1.120 20 0 BDADLO COC(=O)[C@]1([NH2+]CCCC2CCC2)CCOC1 ZINC000595409694 348241558 /nfs/dbraw/zinc/24/15/58/348241558.db2.gz ZDJUFQMCPXAMBD-ZDUSSCGKSA-N 1 2 241.331 1.488 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C1CC1 ZINC000419245697 192115200 /nfs/dbraw/zinc/11/52/00/192115200.db2.gz AHJJUMNOXMJDLD-NEPJUHHUSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ncccc1C ZINC000278734821 179378587 /nfs/dbraw/zinc/37/85/87/179378587.db2.gz DITGWKHTZHMUNY-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ncccc1C ZINC000278734821 179378591 /nfs/dbraw/zinc/37/85/91/179378591.db2.gz DITGWKHTZHMUNY-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)c1ncn(C)n1)CC(C)C ZINC000419258385 192116083 /nfs/dbraw/zinc/11/60/83/192116083.db2.gz NBIUIYZOQYWHFQ-QWRGUYRKSA-N 1 2 240.351 1.527 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CC1CCCCC1 ZINC000595528069 348272247 /nfs/dbraw/zinc/27/22/47/348272247.db2.gz PTCFRRKYZCFBHZ-LBPRGKRZSA-N 1 2 229.320 1.080 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCCC1CCCC1 ZINC000595530665 348273128 /nfs/dbraw/zinc/27/31/28/348273128.db2.gz ZUYZQMDTWPHNGN-CYBMUJFWSA-N 1 2 243.347 1.470 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCC1=CCCCC1 ZINC000595533225 348275680 /nfs/dbraw/zinc/27/56/80/348275680.db2.gz JOAXHZKKADLWSW-ZDUSSCGKSA-N 1 2 241.331 1.391 20 0 BDADLO OCC[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000336724894 187393731 /nfs/dbraw/zinc/39/37/31/187393731.db2.gz ZMCCFHYMZNREJJ-SECBINFHSA-N 1 2 245.273 1.625 20 0 BDADLO OCC[C@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000336724894 187393733 /nfs/dbraw/zinc/39/37/33/187393733.db2.gz ZMCCFHYMZNREJJ-SECBINFHSA-N 1 2 245.273 1.625 20 0 BDADLO COC(=O)C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595807035 348348527 /nfs/dbraw/zinc/34/85/27/348348527.db2.gz HBXURRDMFNXRIJ-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595807035 348348528 /nfs/dbraw/zinc/34/85/28/348348528.db2.gz HBXURRDMFNXRIJ-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO CC[C@@H](C[NH2+][C@@](C)(CCF)C(=O)OC)OC ZINC000595771768 348336546 /nfs/dbraw/zinc/33/65/46/348336546.db2.gz FISMFQUVOPMNDW-ONGXEEELSA-N 1 2 235.299 1.292 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H]1CCCCO1 ZINC000595775171 348337891 /nfs/dbraw/zinc/33/78/91/348337891.db2.gz QDRPFLKHDOTHPV-ZYHUDNBSSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CCCCO1 ZINC000595775144 348338213 /nfs/dbraw/zinc/33/82/13/348338213.db2.gz QDRPFLKHDOTHPV-JQWIXIFHSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCC(C)(C)O ZINC000595776815 348338852 /nfs/dbraw/zinc/33/88/52/348338852.db2.gz SSQFNNVFDPPXSK-NSHDSACASA-N 1 2 235.299 1.028 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595779247 348339619 /nfs/dbraw/zinc/33/96/19/348339619.db2.gz BJWPSOJOKCBTBA-AXFHLTTASA-N 1 2 241.331 1.221 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@@H](O)C1 ZINC000296867540 179419185 /nfs/dbraw/zinc/41/91/85/179419185.db2.gz BQRRJYUNOCFAIP-AOOOYVTPSA-N 1 2 235.287 1.343 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CC1 ZINC000596045986 348428960 /nfs/dbraw/zinc/42/89/60/348428960.db2.gz NCYLDOWHGFCCHQ-RKDXNWHRSA-N 1 2 247.285 1.819 20 0 BDADLO Cc1nc(C)c(CN[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000311717107 349988365 /nfs/dbraw/zinc/98/83/65/349988365.db2.gz XELHVGLDMAGCQZ-LLVKDONJSA-N 1 2 223.320 1.475 20 0 BDADLO Cc1nc(C)c(CN[C@@H]2CCC[N@H+](C)C2)o1 ZINC000311717107 349988368 /nfs/dbraw/zinc/98/83/68/349988368.db2.gz XELHVGLDMAGCQZ-LLVKDONJSA-N 1 2 223.320 1.475 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N(C)C2CCC2)c1 ZINC000596138517 348448883 /nfs/dbraw/zinc/44/88/83/348448883.db2.gz KYJYQYTUGGKXAE-UHFFFAOYSA-N 1 2 234.299 1.786 20 0 BDADLO CC[C@@H](Nc1ccc(C#N)nn1)c1[nH]cc[nH+]1 ZINC000396931856 349998739 /nfs/dbraw/zinc/99/87/39/349998739.db2.gz ASEBAVJSIQCZPK-SECBINFHSA-N 1 2 228.259 1.056 20 0 BDADLO Cc1cc[nH+]c(NC[C@@](C)(O)CO)c1Cl ZINC000336741446 179447756 /nfs/dbraw/zinc/44/77/56/179447756.db2.gz VSWOQKFSIMPHTR-SNVBAGLBSA-N 1 2 230.695 1.199 20 0 BDADLO Cc1cn2cc(NC(=O)c3cc[nH]n3)ccc2[nH+]1 ZINC000339269948 179567596 /nfs/dbraw/zinc/56/75/96/179567596.db2.gz NRBOSPKTVNKUMJ-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccoc1 ZINC000618474293 348825372 /nfs/dbraw/zinc/82/53/72/348825372.db2.gz UKLRPNWBOLVGCP-SNVBAGLBSA-N 1 2 247.298 1.540 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccoc1 ZINC000618474293 348825375 /nfs/dbraw/zinc/82/53/75/348825375.db2.gz UKLRPNWBOLVGCP-SNVBAGLBSA-N 1 2 247.298 1.540 20 0 BDADLO COc1cc(C)nc(C[NH2+]Cc2conc2C)c1 ZINC000397875677 362930125 /nfs/dbraw/zinc/93/01/25/362930125.db2.gz JWWJDGPPJWZOJV-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2conc2C)c1 ZINC000397875677 362930129 /nfs/dbraw/zinc/93/01/29/362930129.db2.gz JWWJDGPPJWZOJV-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CCSC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000598327155 348931325 /nfs/dbraw/zinc/93/13/25/348931325.db2.gz ROMKZXBNDQWZFU-UHFFFAOYSA-N 1 2 239.344 1.285 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C1CC1)CC2 ZINC000623511043 362936848 /nfs/dbraw/zinc/93/68/48/362936848.db2.gz WRQKWGAVIQOOQK-JQWIXIFHSA-N 1 2 247.342 1.669 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccnc(C)c1 ZINC000598607065 349006892 /nfs/dbraw/zinc/00/68/92/349006892.db2.gz MIHYGYOGQXINHX-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccnc(C)c1 ZINC000598607065 349006896 /nfs/dbraw/zinc/00/68/96/349006896.db2.gz MIHYGYOGQXINHX-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000309046746 323205464 /nfs/dbraw/zinc/20/54/64/323205464.db2.gz PBIIQJGMPVMUCQ-JMJZKYOTSA-N 1 2 210.277 1.811 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000055058727 349127913 /nfs/dbraw/zinc/12/79/13/349127913.db2.gz MXQHEGZDLBULLP-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H]1COCC[N@H+]1CCC(=O)OC(C)(C)C ZINC000055058727 349127915 /nfs/dbraw/zinc/12/79/15/349127915.db2.gz MXQHEGZDLBULLP-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105743 349292654 /nfs/dbraw/zinc/29/26/54/349292654.db2.gz VDQWVOMDAWDAMI-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000600105743 349292657 /nfs/dbraw/zinc/29/26/57/349292657.db2.gz VDQWVOMDAWDAMI-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO CCNC(=O)C[N@H+](CC)CCC(F)(F)F ZINC000057599532 349422450 /nfs/dbraw/zinc/42/24/50/349422450.db2.gz WXWZAVJTZYMOJS-UHFFFAOYSA-N 1 2 226.242 1.397 20 0 BDADLO CCNC(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000057599532 349422452 /nfs/dbraw/zinc/42/24/52/349422452.db2.gz WXWZAVJTZYMOJS-UHFFFAOYSA-N 1 2 226.242 1.397 20 0 BDADLO COCc1noc(CCCn2cc[nH+]c2)n1 ZINC000603636566 350007196 /nfs/dbraw/zinc/00/71/96/350007196.db2.gz UJQVNNGVYFMDAX-UHFFFAOYSA-N 1 2 222.248 1.045 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cccs1 ZINC000090970038 191002940 /nfs/dbraw/zinc/00/29/40/191002940.db2.gz QWMLWRNKCXYZNU-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2nccn2C)o1 ZINC000311807088 350020986 /nfs/dbraw/zinc/02/09/86/350020986.db2.gz VREBILBISWNHJA-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO CCc1nc(C)c(CNCc2[nH+]ccn2C)o1 ZINC000311807088 350020990 /nfs/dbraw/zinc/02/09/90/350020990.db2.gz VREBILBISWNHJA-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1CCOCC1 ZINC000603784828 350033012 /nfs/dbraw/zinc/03/30/12/350033012.db2.gz AMTPPBSFPXOASO-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)n[nH]1 ZINC000603809234 350036644 /nfs/dbraw/zinc/03/66/44/350036644.db2.gz VYPHZYKJJSSWNE-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCOc2ccccc2C1 ZINC000603869784 350046886 /nfs/dbraw/zinc/04/68/86/350046886.db2.gz LZFYGTFYZQQDIQ-LBPRGKRZSA-N 1 2 249.310 1.833 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCOc2ccccc2C1 ZINC000603869784 350046888 /nfs/dbraw/zinc/04/68/88/350046888.db2.gz LZFYGTFYZQQDIQ-LBPRGKRZSA-N 1 2 249.310 1.833 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881714 350047708 /nfs/dbraw/zinc/04/77/08/350047708.db2.gz GRCJUBNOTDBBRH-QWRGUYRKSA-N 1 2 245.282 1.698 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc[nH]1 ZINC000603882293 350047970 /nfs/dbraw/zinc/04/79/70/350047970.db2.gz OZRUARBYSKRGAS-UHFFFAOYSA-N 1 2 226.239 1.915 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884447 350048517 /nfs/dbraw/zinc/04/85/17/350048517.db2.gz ZQAQGGJAFKAWLW-SNVBAGLBSA-N 1 2 233.271 1.698 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1c[nH+]cn1C ZINC000291512103 350059653 /nfs/dbraw/zinc/05/96/53/350059653.db2.gz UBVXNCOAOYBFIO-SECBINFHSA-N 1 2 227.333 1.178 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000291538774 350065443 /nfs/dbraw/zinc/06/54/43/350065443.db2.gz XEUBLMUGARKKOA-QMMMGPOBSA-N 1 2 227.333 1.178 20 0 BDADLO Cc1cc(NCc2ncn(C)n2)nc(C(C)C)[nH+]1 ZINC000218884102 350106366 /nfs/dbraw/zinc/10/63/66/350106366.db2.gz OMDVAWSAJLNIPD-UHFFFAOYSA-N 1 2 246.318 1.649 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCc2cn[nH]c2)[nH+]1 ZINC000357632471 180019369 /nfs/dbraw/zinc/01/93/69/180019369.db2.gz VLNGJJAZACPGMH-UHFFFAOYSA-N 1 2 242.286 1.596 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)CO)[nH+]1 ZINC000309450068 180019692 /nfs/dbraw/zinc/01/96/92/180019692.db2.gz MHUXFJLNYSIGJE-SSDOTTSWSA-N 1 2 220.276 1.307 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)CF)[nH+]1 ZINC000308835851 180023405 /nfs/dbraw/zinc/02/34/05/180023405.db2.gz IBSLKPUMZYCJQU-ZCFIWIBFSA-N 1 2 213.260 1.016 20 0 BDADLO Cc1nc(N[C@H](C)CF)nc(N(C)C)[nH+]1 ZINC000308835851 180023406 /nfs/dbraw/zinc/02/34/06/180023406.db2.gz IBSLKPUMZYCJQU-ZCFIWIBFSA-N 1 2 213.260 1.016 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCCC[C@@H](CO)C2)no1 ZINC000368124370 180034364 /nfs/dbraw/zinc/03/43/64/180034364.db2.gz QWVYSPOYONGRPM-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCCC[C@@H](CO)C2)no1 ZINC000368124370 180034367 /nfs/dbraw/zinc/03/43/67/180034367.db2.gz QWVYSPOYONGRPM-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331670093 180034529 /nfs/dbraw/zinc/03/45/29/180034529.db2.gz RQBBBZJHGYKZKR-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331670093 180034530 /nfs/dbraw/zinc/03/45/30/180034530.db2.gz RQBBBZJHGYKZKR-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@](C)(O)CC2)no1 ZINC000331700349 180034683 /nfs/dbraw/zinc/03/46/83/180034683.db2.gz ZISFGQHLERZESH-SKDRFNHKSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@](C)(O)CC2)no1 ZINC000331700349 180034686 /nfs/dbraw/zinc/03/46/86/180034686.db2.gz ZISFGQHLERZESH-SKDRFNHKSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000368593533 180036437 /nfs/dbraw/zinc/03/64/37/180036437.db2.gz OZRWZFPLZRDSAF-PRHODGIISA-N 1 2 237.303 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)no1 ZINC000368593533 180036440 /nfs/dbraw/zinc/03/64/40/180036440.db2.gz OZRWZFPLZRDSAF-PRHODGIISA-N 1 2 237.303 1.286 20 0 BDADLO CCOC1C[NH+](Cc2oc(C)nc2C)C1 ZINC000628306323 350117079 /nfs/dbraw/zinc/11/70/79/350117079.db2.gz WIPLQFGVYODOIW-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000330263195 180046444 /nfs/dbraw/zinc/04/64/44/180046444.db2.gz WEVULTYWBWJNSO-CABZTGNLSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000330263195 180046446 /nfs/dbraw/zinc/04/64/46/180046446.db2.gz WEVULTYWBWJNSO-CABZTGNLSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000333168888 180047552 /nfs/dbraw/zinc/04/75/52/180047552.db2.gz PIIARFJBPXHVKS-WCBMZHEXSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000333168888 180047555 /nfs/dbraw/zinc/04/75/55/180047555.db2.gz PIIARFJBPXHVKS-WCBMZHEXSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331670090 180047675 /nfs/dbraw/zinc/04/76/75/180047675.db2.gz RQBBBZJHGYKZKR-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331670090 180047678 /nfs/dbraw/zinc/04/76/78/180047678.db2.gz RQBBBZJHGYKZKR-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](C3CCC3)CCO2)no1 ZINC000372591649 180057430 /nfs/dbraw/zinc/05/74/30/180057430.db2.gz HVQURBHSZMBWCB-SNVBAGLBSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@H]2C[N@H+](C3CCC3)CCO2)no1 ZINC000372591649 180057433 /nfs/dbraw/zinc/05/74/33/180057433.db2.gz HVQURBHSZMBWCB-SNVBAGLBSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC(C)(C)O)[nH+]1 ZINC000359842068 180059203 /nfs/dbraw/zinc/05/92/03/180059203.db2.gz GJZCFMQLIIHJFA-UHFFFAOYSA-N 1 2 234.303 1.261 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000604388171 350122860 /nfs/dbraw/zinc/12/28/60/350122860.db2.gz CBMXKOMNQWUMPO-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO Cn1ccnc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000604388171 350122861 /nfs/dbraw/zinc/12/28/61/350122861.db2.gz CBMXKOMNQWUMPO-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO Cc1nc(N[C@H]2[C@@H]3COC[C@@H]32)c2c([nH+]1)CCCC2 ZINC000360113624 180070956 /nfs/dbraw/zinc/07/09/56/180070956.db2.gz CTHSYWSGUMOAOH-PJXYFTJBSA-N 1 2 245.326 1.721 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCSC2)c[nH+]1 ZINC000335713098 180129515 /nfs/dbraw/zinc/12/95/15/180129515.db2.gz GGGABGWFMZOEGN-QMMMGPOBSA-N 1 2 225.317 1.201 20 0 BDADLO CC(C)=CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637081352 350176023 /nfs/dbraw/zinc/17/60/23/350176023.db2.gz HSXNXXVSKCTMEO-NSHDSACASA-N 1 2 248.330 1.463 20 0 BDADLO Cc1ncc(C[N@H+]2CC(C)(C)OC[C@H]2C)cn1 ZINC000352404671 180141472 /nfs/dbraw/zinc/14/14/72/180141472.db2.gz DBOIFBQXPBZKHF-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2CC(C)(C)OC[C@H]2C)cn1 ZINC000352404671 180141474 /nfs/dbraw/zinc/14/14/74/180141474.db2.gz DBOIFBQXPBZKHF-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]1C(F)F ZINC000338224175 180119523 /nfs/dbraw/zinc/11/95/23/180119523.db2.gz DBBGGHNYHUEYOE-RQJHMYQMSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(F)cc1 ZINC000335787447 180119927 /nfs/dbraw/zinc/11/99/27/180119927.db2.gz SZGQNQDVVDPXJQ-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccsc1 ZINC000336450045 180120223 /nfs/dbraw/zinc/12/02/23/180120223.db2.gz OEWFRXMYJRDWHK-UHFFFAOYSA-N 1 2 221.285 1.961 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[C@H](C)C1(F)F ZINC000336562295 180120362 /nfs/dbraw/zinc/12/03/62/180120362.db2.gz OUOFTVAMPWNMTF-YLWLKBPMSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]12CCOC2 ZINC000357323713 180120383 /nfs/dbraw/zinc/12/03/83/180120383.db2.gz ZPUNXJKEMNIBES-CYBMUJFWSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCn3ccnc32)s1 ZINC000345354827 180158001 /nfs/dbraw/zinc/15/80/01/180158001.db2.gz RZMDHYHPFXQXOP-JTQLQIEISA-N 1 2 234.328 1.883 20 0 BDADLO Cc1ncc(CN2CCn3c[nH+]cc3C2)s1 ZINC000291667483 180145113 /nfs/dbraw/zinc/14/51/13/180145113.db2.gz VZXIPZAPJGLBLH-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO Cc1cc(NCc2cc[nH]n2)nc(C2CC2)[nH+]1 ZINC000604756975 350187339 /nfs/dbraw/zinc/18/73/39/350187339.db2.gz OHDVUIXTSDZCAD-UHFFFAOYSA-N 1 2 229.287 1.420 20 0 BDADLO Cc1cc(N[C@@H](C)C(C)(C)O)nc(C2CC2)[nH+]1 ZINC000604756815 350187603 /nfs/dbraw/zinc/18/76/03/350187603.db2.gz CRGDUHBQFDDYDD-VIFPVBQESA-N 1 2 235.331 1.656 20 0 BDADLO CCc1cnc(CNc2cc[nH+]c(C)n2)o1 ZINC000221224105 350201243 /nfs/dbraw/zinc/20/12/43/350201243.db2.gz STORZEICOUVKII-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CC[C@](C)([NH2+]C[C@H](O)CCC(C)C)C(=O)OC ZINC000428293029 191077655 /nfs/dbraw/zinc/07/76/55/191077655.db2.gz FCTXMGBPBIOBHP-YPMHNXCESA-N 1 2 245.363 1.715 20 0 BDADLO Cc1nc(N2CC[C@@]3(CCOC3)C2)cc[nH+]1 ZINC000129167740 180194995 /nfs/dbraw/zinc/19/49/95/180194995.db2.gz KFLFFLSUEOYURW-GFCCVEGCSA-N 1 2 219.288 1.402 20 0 BDADLO Cc1nc(NCC2([S@](C)=O)CCC2)cc[nH+]1 ZINC000280502747 180198660 /nfs/dbraw/zinc/19/86/60/180198660.db2.gz CEPXKLDSIFNJQT-INIZCTEOSA-N 1 2 239.344 1.498 20 0 BDADLO Cc1nccc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000266464564 180200684 /nfs/dbraw/zinc/20/06/84/180200684.db2.gz ZHCDGWLKZQYHMA-JTQLQIEISA-N 1 2 231.303 1.730 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc[nH+]c(C)n2)n[nH]1 ZINC000133525718 180202366 /nfs/dbraw/zinc/20/23/66/180202366.db2.gz UFNDANHBHRBPRP-QMMMGPOBSA-N 1 2 231.303 1.860 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc[nH+]c(C)n2)[nH]n1 ZINC000133525718 180202369 /nfs/dbraw/zinc/20/23/69/180202369.db2.gz UFNDANHBHRBPRP-QMMMGPOBSA-N 1 2 231.303 1.860 20 0 BDADLO Cc1cnc(CNc2cc[nH+]c(C)n2)o1 ZINC000176943885 180202776 /nfs/dbraw/zinc/20/27/76/180202776.db2.gz MPLQHJRWLTXCCY-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO Cc1nc(N[C@@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000277401606 180202891 /nfs/dbraw/zinc/20/28/91/180202891.db2.gz HCLFPRWHZWZDOZ-WCBMZHEXSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc(N[C@@H](CO)c2ccsc2)cc[nH+]1 ZINC000336723138 180203440 /nfs/dbraw/zinc/20/34/40/180203440.db2.gz DVSFOAHINHWUSJ-JTQLQIEISA-N 1 2 235.312 1.992 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000154046148 180204876 /nfs/dbraw/zinc/20/48/76/180204876.db2.gz ZPFIUUIAZWTGSS-UWVGGRQHSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1nc(NC[C@H](C)C(F)(F)F)cc[nH+]1 ZINC000336754611 180181491 /nfs/dbraw/zinc/18/14/91/180181491.db2.gz IKHNJYBBJCZIPX-LURJTMIESA-N 1 2 219.210 1.817 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000336781293 180181877 /nfs/dbraw/zinc/18/18/77/180181877.db2.gz UGSJINNZDBDXFD-LURJTMIESA-N 1 2 235.316 1.540 20 0 BDADLO Cc1nccc(C[N@@H+]2CCc3ncccc3C2)n1 ZINC000367882579 180185502 /nfs/dbraw/zinc/18/55/02/180185502.db2.gz YTEALOUTFLRZJK-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccc(C[N@H+]2CCc3ncccc3C2)n1 ZINC000367882579 180185503 /nfs/dbraw/zinc/18/55/03/180185503.db2.gz YTEALOUTFLRZJK-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1[nH]c(CN2CC(OCC(F)F)C2)[nH+]c1C ZINC000628306465 350231961 /nfs/dbraw/zinc/23/19/61/350231961.db2.gz FCEUIBCGPYKCPW-UHFFFAOYSA-N 1 2 245.273 1.492 20 0 BDADLO Cc1ncsc1CC[NH2+][C@@]1(C)CCOC1=O ZINC000289517047 180310975 /nfs/dbraw/zinc/31/09/75/180310975.db2.gz LCMGKOYOGQCTIJ-NSHDSACASA-N 1 2 240.328 1.289 20 0 BDADLO C[C@@H](CO)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580588 350371090 /nfs/dbraw/zinc/37/10/90/350371090.db2.gz VEAAORNBUGGSED-SECBINFHSA-N 1 2 248.286 1.084 20 0 BDADLO CN(C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000606581565 350372963 /nfs/dbraw/zinc/37/29/63/350372963.db2.gz JASQEOOSDDSHDO-UHFFFAOYSA-N 1 2 230.271 1.960 20 0 BDADLO COCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580925 350374013 /nfs/dbraw/zinc/37/40/13/350374013.db2.gz JXRKDEQHRLVZOG-UHFFFAOYSA-N 1 2 234.259 1.102 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@]12C[C@H]1CCC2 ZINC000617214532 350384726 /nfs/dbraw/zinc/38/47/26/350384726.db2.gz WDPNKMNJEMGFCJ-BXKDBHETSA-N 1 2 219.288 1.021 20 0 BDADLO Cc1ncsc1CN1CCn2c[nH+]cc2C1 ZINC000291699294 180318440 /nfs/dbraw/zinc/31/84/40/180318440.db2.gz YWDNYBICZBNXCZ-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CC(C)C[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000040779460 350399145 /nfs/dbraw/zinc/39/91/45/350399145.db2.gz HKOJNPAKLQVKBZ-SECBINFHSA-N 1 2 249.318 1.182 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)[C@H]1CCOC1 ZINC000336678772 350435672 /nfs/dbraw/zinc/43/56/72/350435672.db2.gz CZIVSWOWANSODI-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)[C@H]1CCOC1 ZINC000336678772 350435674 /nfs/dbraw/zinc/43/56/74/350435674.db2.gz CZIVSWOWANSODI-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000069862415 350424992 /nfs/dbraw/zinc/42/49/92/350424992.db2.gz IMDWCVVGJHMWKK-DCAQKATOSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000119665085 180373012 /nfs/dbraw/zinc/37/30/12/180373012.db2.gz OLJLGXATDDUNSW-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000119665085 180373016 /nfs/dbraw/zinc/37/30/16/180373016.db2.gz OLJLGXATDDUNSW-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC3(C2)CCCOC3)n1 ZINC000628307187 350455883 /nfs/dbraw/zinc/45/58/83/350455883.db2.gz UAJDBRZVXRVDSC-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000345356717 180376305 /nfs/dbraw/zinc/37/63/05/180376305.db2.gz OPYYZQXSVZLSCF-BXKDBHETSA-N 1 2 245.330 1.721 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000163005126 350493935 /nfs/dbraw/zinc/49/39/35/350493935.db2.gz WNLBWMMINAYFCY-JBLDHEPKSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@@H](NCc1[nH+]ccn1C)C(F)(F)F ZINC000336765305 350505538 /nfs/dbraw/zinc/50/55/38/350505538.db2.gz QUHNVSRNNIKDIM-SSDOTTSWSA-N 1 2 221.226 1.851 20 0 BDADLO COCC[C@H](C)[N@@H+]1CCOCC(F)(F)C1 ZINC000344103608 538095692 /nfs/dbraw/zinc/09/56/92/538095692.db2.gz FRPBVVNXCPJKSY-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO COCC[C@H](C)[N@H+]1CCOCC(F)(F)C1 ZINC000344103608 538095697 /nfs/dbraw/zinc/09/56/97/538095697.db2.gz FRPBVVNXCPJKSY-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CC(=O)N(C)C1 ZINC000443852875 191109952 /nfs/dbraw/zinc/10/99/52/191109952.db2.gz LVOUPMQYNCIZBQ-NEPJUHHUSA-N 1 2 222.332 1.710 20 0 BDADLO CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CC(=O)N(C)C1 ZINC000443852875 191109954 /nfs/dbraw/zinc/10/99/54/191109954.db2.gz LVOUPMQYNCIZBQ-NEPJUHHUSA-N 1 2 222.332 1.710 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1C/C=C/c1ccccc1 ZINC000337426168 350584328 /nfs/dbraw/zinc/58/43/28/350584328.db2.gz SOJNKJZFAGQPJL-RMKNXTFCSA-N 1 2 244.338 1.910 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1C/C=C/c1ccccc1 ZINC000337426168 350584330 /nfs/dbraw/zinc/58/43/30/350584330.db2.gz SOJNKJZFAGQPJL-RMKNXTFCSA-N 1 2 244.338 1.910 20 0 BDADLO CCCCCC(=O)NCCCn1cc[nH+]c1 ZINC000005939328 168637170 /nfs/dbraw/zinc/63/71/70/168637170.db2.gz XAGJDMFXBYAHPL-UHFFFAOYSA-N 1 2 223.320 1.970 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000606898411 350619208 /nfs/dbraw/zinc/61/92/08/350619208.db2.gz GMCMIYGMOSSEBS-BDAKNGLRSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000606898411 350619213 /nfs/dbraw/zinc/61/92/13/350619213.db2.gz GMCMIYGMOSSEBS-BDAKNGLRSA-N 1 2 239.237 1.429 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000617276698 350660845 /nfs/dbraw/zinc/66/08/45/350660845.db2.gz NJCUIWLNNHAREL-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000617276698 350660847 /nfs/dbraw/zinc/66/08/47/350660847.db2.gz NJCUIWLNNHAREL-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1([S@@](C)=O)CC1 ZINC000309537626 350709288 /nfs/dbraw/zinc/70/92/88/350709288.db2.gz FHHMZUWUVUIZJB-VPTHRUTESA-N 1 2 241.360 1.280 20 0 BDADLO CCN(c1cc[nH+]c(C(C)C)n1)[C@H](C)CO ZINC000338787711 350712925 /nfs/dbraw/zinc/71/29/25/350712925.db2.gz JCAVTZURWHWADV-SNVBAGLBSA-N 1 2 223.320 1.807 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@@H]2CCO)nc[nH+]1 ZINC000302430171 191119440 /nfs/dbraw/zinc/11/94/40/191119440.db2.gz KWVJFELELCCWDX-GHMZBOCLSA-N 1 2 221.304 1.748 20 0 BDADLO CC(C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000339090771 350731898 /nfs/dbraw/zinc/73/18/98/350731898.db2.gz IBGWYMBAOCPHHL-UHFFFAOYSA-N 1 2 223.320 1.467 20 0 BDADLO CCn1cc[nH+]c1CN[C@H](COC)c1ccco1 ZINC000177576256 366009512 /nfs/dbraw/zinc/00/95/12/366009512.db2.gz WEMJWCLPJSUBLW-LLVKDONJSA-N 1 2 249.314 1.973 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)[C@@H](C)CO ZINC000339628341 350769437 /nfs/dbraw/zinc/76/94/37/350769437.db2.gz NSCSZLOETHEAET-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)[C@@H](C)CO ZINC000339628341 350769440 /nfs/dbraw/zinc/76/94/40/350769440.db2.gz NSCSZLOETHEAET-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO C[NH+](C)CC(C)(C)NC(=O)C(F)(F)F ZINC000306711585 350872103 /nfs/dbraw/zinc/87/21/03/350872103.db2.gz SDOPROVQYOUOOP-UHFFFAOYSA-N 1 2 212.215 1.005 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000577602751 366013404 /nfs/dbraw/zinc/01/34/04/366013404.db2.gz LJQVIKBBBVPEEW-LLVKDONJSA-N 1 2 247.260 1.974 20 0 BDADLO Cc1cc(NC[C@@H](C)C[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000607147487 350947329 /nfs/dbraw/zinc/94/73/29/350947329.db2.gz PNORBEXEPYETQT-GXSJLCMTSA-N 1 2 249.358 1.903 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCCO)C2CC2)o1 ZINC000607152938 351030709 /nfs/dbraw/zinc/03/07/09/351030709.db2.gz FUGBXRQBTVUFGD-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCCO)C2CC2)o1 ZINC000607152938 351030712 /nfs/dbraw/zinc/03/07/12/351030712.db2.gz FUGBXRQBTVUFGD-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO COc1cc(C[NH2+]Cc2cnn[nH]2)cc(OC)c1 ZINC000398328825 351037024 /nfs/dbraw/zinc/03/70/24/351037024.db2.gz GTTZTGNQAPFEDE-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO CCCOc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398330098 351037180 /nfs/dbraw/zinc/03/71/80/351037180.db2.gz HNWCBVDIUYBHEJ-UHFFFAOYSA-N 1 2 246.314 1.883 20 0 BDADLO CCCOc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398330098 351037181 /nfs/dbraw/zinc/03/71/81/351037181.db2.gz HNWCBVDIUYBHEJ-UHFFFAOYSA-N 1 2 246.314 1.883 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cnn[nH]2)o1 ZINC000398338301 351037228 /nfs/dbraw/zinc/03/72/28/351037228.db2.gz BYKUJWVFLRJKBA-KWQFWETISA-N 1 2 232.287 1.811 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398349316 351047624 /nfs/dbraw/zinc/04/76/24/351047624.db2.gz RKWDYRCKFOYSPC-UHFFFAOYSA-N 1 2 245.286 1.053 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398349316 351047627 /nfs/dbraw/zinc/04/76/27/351047627.db2.gz RKWDYRCKFOYSPC-UHFFFAOYSA-N 1 2 245.286 1.053 20 0 BDADLO CCN(C)C(=O)C[N@H+](CC)CCC(F)(F)F ZINC000623121508 351053464 /nfs/dbraw/zinc/05/34/64/351053464.db2.gz ZKKCAHOZIUNNGT-UHFFFAOYSA-N 1 2 240.269 1.739 20 0 BDADLO CCN(C)C(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000623121508 351053468 /nfs/dbraw/zinc/05/34/68/351053468.db2.gz ZKKCAHOZIUNNGT-UHFFFAOYSA-N 1 2 240.269 1.739 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000623577831 363010041 /nfs/dbraw/zinc/01/00/41/363010041.db2.gz HOKMPHYTOWUFJQ-UHFFFAOYSA-N 1 2 249.343 1.819 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cnc(C)o1 ZINC000398102569 363008043 /nfs/dbraw/zinc/00/80/43/363008043.db2.gz NKRNAGXUORAVKX-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO c1nc(C2CC2)c(C[NH2+]Cc2cnn[nH]2)s1 ZINC000623578366 363011127 /nfs/dbraw/zinc/01/11/27/363011127.db2.gz FDRHWYIICYCUPR-UHFFFAOYSA-N 1 2 235.316 1.428 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)[C@@H](C)CO1 ZINC000628324430 351236609 /nfs/dbraw/zinc/23/66/09/351236609.db2.gz SQIYLXCCOOFWBA-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nc(N(C)CCC(C)C)nc(N)[nH+]1 ZINC000379898485 351247567 /nfs/dbraw/zinc/24/75/67/351247567.db2.gz HOAJCVRBEXNGAZ-UHFFFAOYSA-N 1 2 209.297 1.075 20 0 BDADLO Cc1nc(N)nc(N(C)CCC(C)C)[nH+]1 ZINC000379898485 351247571 /nfs/dbraw/zinc/24/75/71/351247571.db2.gz HOAJCVRBEXNGAZ-UHFFFAOYSA-N 1 2 209.297 1.075 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@@H]2C2CCC2)[nH+]1 ZINC000628322553 351206902 /nfs/dbraw/zinc/20/69/02/351206902.db2.gz ZWVHGGLBXFFKSD-GFCCVEGCSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC2(C)C)nn1 ZINC000414378150 351218776 /nfs/dbraw/zinc/21/87/76/351218776.db2.gz GCVCCZGCBRNLTN-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC2(C)C)nn1 ZINC000414378150 351218780 /nfs/dbraw/zinc/21/87/80/351218780.db2.gz GCVCCZGCBRNLTN-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)OC ZINC000265067631 351262460 /nfs/dbraw/zinc/26/24/60/351262460.db2.gz SIOPTHBYMPJJRK-MRVPVSSYSA-N 1 2 208.261 1.617 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)o1 ZINC000628337723 351280374 /nfs/dbraw/zinc/28/03/74/351280374.db2.gz OVDFPCPUHKWDBL-LLVKDONJSA-N 1 2 237.347 1.945 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)o1 ZINC000628337969 351281058 /nfs/dbraw/zinc/28/10/58/351281058.db2.gz WICDKKMTOFKQTK-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@](C)(C3CC3)C2)o1 ZINC000628337969 351281061 /nfs/dbraw/zinc/28/10/61/351281061.db2.gz WICDKKMTOFKQTK-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO C[N@H+](CCOC[C@@H]1CCCO1)Cc1ccon1 ZINC000607358949 351333724 /nfs/dbraw/zinc/33/37/24/351333724.db2.gz YUILLTONKRXHFG-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccon1 ZINC000607358949 351333729 /nfs/dbraw/zinc/33/37/29/351333729.db2.gz YUILLTONKRXHFG-LBPRGKRZSA-N 1 2 240.303 1.302 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)C(F)(F)F)n1cc[nH+]c1 ZINC000571806514 323483905 /nfs/dbraw/zinc/48/39/05/323483905.db2.gz NIBRNELLOZALJK-YUMQZZPRSA-N 1 2 249.236 1.901 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@](C)(C(F)F)C2)[nH+]1 ZINC000628353116 351317811 /nfs/dbraw/zinc/31/78/11/351317811.db2.gz HZYWFXOYJLDYAR-NSHDSACASA-N 1 2 245.273 1.574 20 0 BDADLO C(c1nnc2n1CCCCC2)[NH+]1CCCCC1 ZINC000335104390 187482279 /nfs/dbraw/zinc/48/22/79/187482279.db2.gz MPWWIKNDVJEKAU-UHFFFAOYSA-N 1 2 234.347 1.990 20 0 BDADLO c1nc(C2CC2)c(C[NH+]2CCOCC2)s1 ZINC000335794675 538100519 /nfs/dbraw/zinc/10/05/19/538100519.db2.gz VQRZLDWAGKABKX-UHFFFAOYSA-N 1 2 224.329 1.853 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000336730941 351613498 /nfs/dbraw/zinc/61/34/98/351613498.db2.gz KKQGGNDYDVNPHB-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCOCC1 ZINC000637810551 351651279 /nfs/dbraw/zinc/65/12/79/351651279.db2.gz HVFFCGDUYGIQQL-LLVKDONJSA-N 1 2 221.304 1.203 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccns2)C[C@@H](C)O1 ZINC000637814755 351653921 /nfs/dbraw/zinc/65/39/21/351653921.db2.gz NDBYCZVLZUUBEQ-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO Cc1nn(Cc2[nH+]ccn2C(F)F)c(C)c1N ZINC000637796557 351622974 /nfs/dbraw/zinc/62/29/74/351622974.db2.gz PCETXHMKYHTFRD-UHFFFAOYSA-N 1 2 241.245 1.722 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)sn1 ZINC000637875996 351741533 /nfs/dbraw/zinc/74/15/33/351741533.db2.gz YWQNNDMGYSMZFY-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC2CC2)sn1 ZINC000637875996 351741534 /nfs/dbraw/zinc/74/15/34/351741534.db2.gz YWQNNDMGYSMZFY-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000618860741 351744684 /nfs/dbraw/zinc/74/46/84/351744684.db2.gz QQJAOKLEEZCGCZ-RYUDHWBXSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000577823296 366071351 /nfs/dbraw/zinc/07/13/51/366071351.db2.gz MWSBVKQWQILSRG-YPMHNXCESA-N 1 2 235.331 1.513 20 0 BDADLO Cn1cc(C[NH2+][C@H]2CSc3ccccc32)nn1 ZINC000336380463 180652107 /nfs/dbraw/zinc/65/21/07/180652107.db2.gz ZFADLVQEJKFEJX-NSHDSACASA-N 1 2 246.339 1.752 20 0 BDADLO CO[C@]1(C[N@H+](CC(F)F)C2CC2)CCOC1 ZINC000638057408 351933347 /nfs/dbraw/zinc/93/33/47/351933347.db2.gz VKSPCWVAAWRLJD-NSHDSACASA-N 1 2 235.274 1.521 20 0 BDADLO CO[C@]1(C[N@@H+](CC(F)F)C2CC2)CCOC1 ZINC000638057408 351933350 /nfs/dbraw/zinc/93/33/50/351933350.db2.gz VKSPCWVAAWRLJD-NSHDSACASA-N 1 2 235.274 1.521 20 0 BDADLO CC[N@H+](Cc1ccccc1F)[C@H]1CCNC1=O ZINC000282512730 351934277 /nfs/dbraw/zinc/93/42/77/351934277.db2.gz XNQQSNKWUCLKPT-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO CC[N@@H+](Cc1ccccc1F)[C@H]1CCNC1=O ZINC000282512730 351934280 /nfs/dbraw/zinc/93/42/80/351934280.db2.gz XNQQSNKWUCLKPT-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCCCCO ZINC000286950019 187520829 /nfs/dbraw/zinc/52/08/29/187520829.db2.gz ABBUPZAMVWDMFW-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000618868706 351885213 /nfs/dbraw/zinc/88/52/13/351885213.db2.gz OJSFWQUJSVBCDE-SNVBAGLBSA-N 1 2 207.277 1.188 20 0 BDADLO CC(C)(C)[C@H](CO)[NH2+]Cc1noc(C2CC2)n1 ZINC000331790926 187539175 /nfs/dbraw/zinc/53/91/75/187539175.db2.gz SKIIPKIODUDZSH-VIFPVBQESA-N 1 2 239.319 1.444 20 0 BDADLO CC(C)(C)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000336548727 187544115 /nfs/dbraw/zinc/54/41/15/187544115.db2.gz PBCCMLKDNFOMDZ-JTQLQIEISA-N 1 2 223.320 1.657 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283072599 351957914 /nfs/dbraw/zinc/95/79/14/351957914.db2.gz RWNOYVJTZUSROW-NXEZZACHSA-N 1 2 239.319 1.648 20 0 BDADLO Cc1scc(C[N@H+]2CCN(C)C(=O)C2)c1C ZINC000638090363 351968427 /nfs/dbraw/zinc/96/84/27/351968427.db2.gz WDKBCYPJRVLMID-UHFFFAOYSA-N 1 2 238.356 1.639 20 0 BDADLO Cc1scc(C[N@@H+]2CCN(C)C(=O)C2)c1C ZINC000638090363 351968429 /nfs/dbraw/zinc/96/84/29/351968429.db2.gz WDKBCYPJRVLMID-UHFFFAOYSA-N 1 2 238.356 1.639 20 0 BDADLO CCc1nc(Nc2cnn(C)c2)cc(C)[nH+]1 ZINC000283625048 351980084 /nfs/dbraw/zinc/98/00/84/351980084.db2.gz SVSXXEXYXTWLAS-UHFFFAOYSA-N 1 2 217.276 1.825 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)sn1 ZINC000638102525 351981679 /nfs/dbraw/zinc/98/16/79/351981679.db2.gz IJCPULYVVKIFQN-SNVBAGLBSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)sn1 ZINC000638102525 351981680 /nfs/dbraw/zinc/98/16/80/351981680.db2.gz IJCPULYVVKIFQN-SNVBAGLBSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)sn1 ZINC000638181854 352049223 /nfs/dbraw/zinc/04/92/23/352049223.db2.gz YPFWUWKZNYQNEN-VHSXEESVSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)sn1 ZINC000638181854 352049226 /nfs/dbraw/zinc/04/92/26/352049226.db2.gz YPFWUWKZNYQNEN-VHSXEESVSA-N 1 2 242.344 1.033 20 0 BDADLO c1cc(C[NH2+]Cc2cc(C3CC3)no2)n[nH]1 ZINC000638330288 352147809 /nfs/dbraw/zinc/14/78/09/352147809.db2.gz ULJIIJYYRGSJPT-UHFFFAOYSA-N 1 2 218.260 1.565 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cn(C)nn1 ZINC000290203453 352214913 /nfs/dbraw/zinc/21/49/13/352214913.db2.gz UYRISSCCVWASFV-UHFFFAOYSA-N 1 2 231.259 1.025 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C(F)F)CC2)[nH+]1 ZINC000630072986 363156063 /nfs/dbraw/zinc/15/60/63/363156063.db2.gz OOMWEEDDKMOMPJ-VIFPVBQESA-N 1 2 245.273 1.574 20 0 BDADLO CC(C)(NC(=O)c1ccc(=O)[nH]c1)c1[nH]cc[nH+]1 ZINC000575810359 352250739 /nfs/dbraw/zinc/25/07/39/352250739.db2.gz MOYCEQHTOGYMDC-UHFFFAOYSA-N 1 2 246.270 1.175 20 0 BDADLO CC[C@@H](SC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290958000 352252009 /nfs/dbraw/zinc/25/20/09/352252009.db2.gz RCNOZSBSTIRBCF-SNVBAGLBSA-N 1 2 239.344 1.367 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000411417320 191185069 /nfs/dbraw/zinc/18/50/69/191185069.db2.gz ILEXQPLOQBOUHH-GFCCVEGCSA-N 1 2 249.358 1.941 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000411417320 191185071 /nfs/dbraw/zinc/18/50/71/191185071.db2.gz ILEXQPLOQBOUHH-GFCCVEGCSA-N 1 2 249.358 1.941 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1CCCC1 ZINC000122424172 180745298 /nfs/dbraw/zinc/74/52/98/180745298.db2.gz UHFFWACIELREQJ-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798903 191211301 /nfs/dbraw/zinc/21/13/01/191211301.db2.gz XULDXOHPGRAQPO-JIMOISOXSA-N 1 2 248.301 1.502 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798903 191211304 /nfs/dbraw/zinc/21/13/04/191211304.db2.gz XULDXOHPGRAQPO-JIMOISOXSA-N 1 2 248.301 1.502 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncnn1C)c1ccncc1 ZINC000638677199 352516998 /nfs/dbraw/zinc/51/69/98/352516998.db2.gz AQJATAMVGAOICO-LLVKDONJSA-N 1 2 231.303 1.451 20 0 BDADLO CO[C@](C)([C@H](C)[NH2+]Cc1noc(C)n1)C1CC1 ZINC000411958665 191235131 /nfs/dbraw/zinc/23/51/31/191235131.db2.gz XHQPPEYXZOBBSG-QPUJVOFHSA-N 1 2 239.319 1.671 20 0 BDADLO CO[C@](C)([C@@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000411970894 191235722 /nfs/dbraw/zinc/23/57/22/191235722.db2.gz NWRSNQKDOWZVJW-BXKDBHETSA-N 1 2 223.320 1.703 20 0 BDADLO Cc1nn(C)c(C)c1CCNc1cc[nH+]c(C)n1 ZINC000608079123 352706894 /nfs/dbraw/zinc/70/68/94/352706894.db2.gz PBQZHXUUIJKXQR-UHFFFAOYSA-N 1 2 245.330 1.212 20 0 BDADLO CO[C@H](CNc1ccc[nH+]c1C)[C@H]1CCOC1 ZINC000638786139 352741631 /nfs/dbraw/zinc/74/16/31/352741631.db2.gz KCCAMMBSLDEYBF-WCQYABFASA-N 1 2 236.315 1.853 20 0 BDADLO COc1cc(C)cc(C[NH2+]Cc2ncnn2C)c1 ZINC000638776266 352720942 /nfs/dbraw/zinc/72/09/42/352720942.db2.gz ADNRDTJWSRVANT-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000334218437 352819369 /nfs/dbraw/zinc/81/93/69/352819369.db2.gz TVVQMMLBPFAZAV-OTYXRUKQSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000334218437 352819372 /nfs/dbraw/zinc/81/93/72/352819372.db2.gz TVVQMMLBPFAZAV-OTYXRUKQSA-N 1 2 221.341 1.577 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N3CC(C)C3)cc2n1C ZINC000334240554 352827945 /nfs/dbraw/zinc/82/79/45/352827945.db2.gz MDSYXBHIKAMHSU-UHFFFAOYSA-N 1 2 243.310 1.974 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000334205696 352801006 /nfs/dbraw/zinc/80/10/06/352801006.db2.gz VBKKBUAQCDIDMO-UWVGGRQHSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000334205696 352801010 /nfs/dbraw/zinc/80/10/10/352801010.db2.gz VBKKBUAQCDIDMO-UWVGGRQHSA-N 1 2 237.347 1.816 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334206852 352802522 /nfs/dbraw/zinc/80/25/22/352802522.db2.gz DNWHZZPBOBANSH-VHSXEESVSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334206852 352802525 /nfs/dbraw/zinc/80/25/25/352802525.db2.gz DNWHZZPBOBANSH-VHSXEESVSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412079558 191253537 /nfs/dbraw/zinc/25/35/37/191253537.db2.gz UPUKHNNBJPTTAO-JTQLQIEISA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412079558 191253539 /nfs/dbraw/zinc/25/35/39/191253539.db2.gz UPUKHNNBJPTTAO-JTQLQIEISA-N 1 2 239.319 1.396 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@@H]2CC2(C)C)n1C ZINC000342851704 352875412 /nfs/dbraw/zinc/87/54/12/352875412.db2.gz KEAZTQXYSABTQR-SNVBAGLBSA-N 1 2 207.321 1.959 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334243798 352832266 /nfs/dbraw/zinc/83/22/66/352832266.db2.gz PXEOPXSXPKYTKV-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(N2CCC[C@H]2[C@@H]2CCCO2)nc[nH+]1 ZINC000343053305 352936521 /nfs/dbraw/zinc/93/65/21/352936521.db2.gz RZESVPQBLLAAFD-RYUDHWBXSA-N 1 2 233.315 1.933 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334278387 352912958 /nfs/dbraw/zinc/91/29/58/352912958.db2.gz UHXRMLVPNUFGED-CHWSQXEVSA-N 1 2 236.315 1.990 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334278387 352912963 /nfs/dbraw/zinc/91/29/63/352912963.db2.gz UHXRMLVPNUFGED-CHWSQXEVSA-N 1 2 236.315 1.990 20 0 BDADLO C[C@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000334355026 352993367 /nfs/dbraw/zinc/99/33/67/352993367.db2.gz KDDHYZXFZCMTFM-JDGPPOGSSA-N 1 2 218.300 1.816 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000334355026 352993371 /nfs/dbraw/zinc/99/33/71/352993371.db2.gz KDDHYZXFZCMTFM-JDGPPOGSSA-N 1 2 218.300 1.816 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334352564 352989473 /nfs/dbraw/zinc/98/94/73/352989473.db2.gz HRCKFZOZSRIBNN-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC1(C)C ZINC000334311259 352942854 /nfs/dbraw/zinc/94/28/54/352942854.db2.gz QLDFFXSWFNYZGL-JTQLQIEISA-N 1 2 233.315 1.980 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC1(C)C ZINC000334311261 352943052 /nfs/dbraw/zinc/94/30/52/352943052.db2.gz QLDFFXSWFNYZGL-SNVBAGLBSA-N 1 2 233.315 1.980 20 0 BDADLO Cc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000334330713 352966864 /nfs/dbraw/zinc/96/68/64/352966864.db2.gz OSYSKYPLMSVNJI-UHFFFAOYSA-N 1 2 228.299 1.643 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2CCCOC2)no1 ZINC000334332239 352968919 /nfs/dbraw/zinc/96/89/19/352968919.db2.gz QCUVJCOTUXCSKA-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2CCCOC2)no1 ZINC000334332239 352968920 /nfs/dbraw/zinc/96/89/20/352968920.db2.gz QCUVJCOTUXCSKA-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1[nH+]c2cccc(F)c2n1C ZINC000334361848 353012461 /nfs/dbraw/zinc/01/24/61/353012461.db2.gz JPKFSIKMLXIOKP-DTWKUNHWSA-N 1 2 249.289 1.672 20 0 BDADLO CCN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000334361975 353012739 /nfs/dbraw/zinc/01/27/39/353012739.db2.gz JUXAREZHWNDIBM-VXGBXAGGSA-N 1 2 247.342 1.632 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2C=C[C@H](CO)C2)o1 ZINC000638880489 353048056 /nfs/dbraw/zinc/04/80/56/353048056.db2.gz MFLBKFDYDINYJO-VHSXEESVSA-N 1 2 208.261 1.010 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334381903 353048203 /nfs/dbraw/zinc/04/82/03/353048203.db2.gz JWRSLOKRNWXSTQ-YPMHNXCESA-N 1 2 247.342 1.702 20 0 BDADLO CCc1cc(N[C@@H](C)COCCOC)nc[nH+]1 ZINC000608089996 353111629 /nfs/dbraw/zinc/11/16/29/353111629.db2.gz AUHZCJOEBRFGAI-JTQLQIEISA-N 1 2 239.319 1.502 20 0 BDADLO C[C@H](CO)Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000608097769 353132804 /nfs/dbraw/zinc/13/28/04/353132804.db2.gz USWRIRRTJATZAL-MRVPVSSYSA-N 1 2 236.300 1.135 20 0 BDADLO Cc1nc(N(C)[C@@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000302076622 188059931 /nfs/dbraw/zinc/05/99/31/188059931.db2.gz YJRWQIVCARCUHG-VIFPVBQESA-N 1 2 231.303 1.716 20 0 BDADLO C=Cn1cc(C[NH+]2CC(C)(OC)C2)cn1 ZINC000362308153 188071063 /nfs/dbraw/zinc/07/10/63/188071063.db2.gz GAWDEGPKLKNQCH-UHFFFAOYSA-N 1 2 207.277 1.204 20 0 BDADLO CC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000368994821 188074278 /nfs/dbraw/zinc/07/42/78/188074278.db2.gz DMAVUSQEIZGQJP-SECBINFHSA-N 1 2 209.249 1.186 20 0 BDADLO CC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000368994821 188074279 /nfs/dbraw/zinc/07/42/79/188074279.db2.gz DMAVUSQEIZGQJP-SECBINFHSA-N 1 2 209.249 1.186 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000370062525 188074401 /nfs/dbraw/zinc/07/44/01/188074401.db2.gz KTFYLRRMRFZBQA-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nc(N2CCC23CCOCC3)cc[nH+]1 ZINC000372966980 188074874 /nfs/dbraw/zinc/07/48/74/188074874.db2.gz KXSMIXVAOCJART-UHFFFAOYSA-N 1 2 219.288 1.544 20 0 BDADLO C([NH2+][C@H]1CCO[C@H]1C1CC1)c1noc(C2CC2)n1 ZINC000372810087 188075810 /nfs/dbraw/zinc/07/58/10/188075810.db2.gz NCVONATUIOZGOP-JQWIXIFHSA-N 1 2 249.314 1.604 20 0 BDADLO CCOCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000376939554 188078551 /nfs/dbraw/zinc/07/85/51/188078551.db2.gz NZPZURFIIWEQOC-UHFFFAOYSA-N 1 2 239.290 1.365 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000123384389 188079152 /nfs/dbraw/zinc/07/91/52/188079152.db2.gz HLACLEGOKAMGEG-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000123384389 188079153 /nfs/dbraw/zinc/07/91/53/188079153.db2.gz HLACLEGOKAMGEG-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO Cc1nc(C[NH+]2CCC(O)CC2)cs1 ZINC000047874159 353155015 /nfs/dbraw/zinc/15/50/15/353155015.db2.gz MCAZABVRCDYQGP-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO CCOC(=O)c1csc(C[N@H+](C)C2CC2)n1 ZINC000336900533 188084021 /nfs/dbraw/zinc/08/40/21/188084021.db2.gz SAAKCCIDDDNWET-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CCOC(=O)c1csc(C[N@@H+](C)C2CC2)n1 ZINC000336900533 188084023 /nfs/dbraw/zinc/08/40/23/188084023.db2.gz SAAKCCIDDDNWET-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000041013947 188084208 /nfs/dbraw/zinc/08/42/08/188084208.db2.gz OEGLRXFUTPEEPI-UHFFFAOYSA-N 1 2 244.298 1.658 20 0 BDADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000367849898 188103210 /nfs/dbraw/zinc/10/32/10/188103210.db2.gz ZUOAQFAAEBWXKO-KGLIPLIRSA-N 1 2 246.310 1.618 20 0 BDADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000367849898 188103212 /nfs/dbraw/zinc/10/32/12/188103212.db2.gz ZUOAQFAAEBWXKO-KGLIPLIRSA-N 1 2 246.310 1.618 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000043637535 188123166 /nfs/dbraw/zinc/12/31/66/188123166.db2.gz AIAZDJKYFZRFOL-SNVBAGLBSA-N 1 2 239.290 1.909 20 0 BDADLO CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000044622067 188123719 /nfs/dbraw/zinc/12/37/19/188123719.db2.gz FIZULFHKDWCANE-CQSZACIVSA-N 1 2 248.326 1.196 20 0 BDADLO CC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000075844368 188133014 /nfs/dbraw/zinc/13/30/14/188133014.db2.gz KMDROOZVJSEIKV-UHFFFAOYSA-N 1 2 232.327 1.637 20 0 BDADLO Cn1c[nH+]cc1CN(CCO)c1ccccc1 ZINC000176350800 188164156 /nfs/dbraw/zinc/16/41/56/188164156.db2.gz JNZZYNFPNLSIPX-UHFFFAOYSA-N 1 2 231.299 1.419 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCOC2)cc[nH+]1 ZINC000174920408 188164173 /nfs/dbraw/zinc/16/41/73/188164173.db2.gz ZFWYGBSLPIRXDE-SNVBAGLBSA-N 1 2 207.277 1.258 20 0 BDADLO Cc1nc(N2CCC[C@@H]2CCO)cc[nH+]1 ZINC000336697703 188165419 /nfs/dbraw/zinc/16/54/19/188165419.db2.gz OJOHEUTVMWKUTE-SNVBAGLBSA-N 1 2 207.277 1.136 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H]1CCOC1)C(=O)OCC ZINC000309647031 188169496 /nfs/dbraw/zinc/16/94/96/188169496.db2.gz MPOGTCLDOBVQNF-NBLPHYOQSA-N 1 2 227.304 1.263 20 0 BDADLO Cc1nc(N(C)[C@@H](CO)CC(C)C)cc[nH+]1 ZINC000185881029 188170121 /nfs/dbraw/zinc/17/01/21/188170121.db2.gz RGJPEIKFPKKDQT-LLVKDONJSA-N 1 2 223.320 1.628 20 0 BDADLO Cc1nc(N(C)[C@H](CO)CC(C)C)cc[nH+]1 ZINC000185881005 188170149 /nfs/dbraw/zinc/17/01/49/188170149.db2.gz RGJPEIKFPKKDQT-NSHDSACASA-N 1 2 223.320 1.628 20 0 BDADLO CC(=O)N1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000264557004 188194403 /nfs/dbraw/zinc/19/44/03/188194403.db2.gz TWSRUBZBTBHIGK-GFCCVEGCSA-N 1 2 247.298 1.339 20 0 BDADLO Cc1nc(N(C)CCc2ccccn2)cc[nH+]1 ZINC000266143549 188195647 /nfs/dbraw/zinc/19/56/47/188195647.db2.gz HTPINBFOIRBUOL-UHFFFAOYSA-N 1 2 228.299 1.859 20 0 BDADLO CN(c1cc[nH+]c2ccncc21)[C@H]1CCC[C@@H]1O ZINC000343253227 353247457 /nfs/dbraw/zinc/24/74/57/353247457.db2.gz RZKDVLOKJULLJG-KBPBESRZSA-N 1 2 243.310 1.979 20 0 BDADLO CC(C)[C@@]1(C)CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267719115 188196164 /nfs/dbraw/zinc/19/61/64/188196164.db2.gz ARQZBWKWBWUACT-CYBMUJFWSA-N 1 2 249.314 1.341 20 0 BDADLO C/C=C(\C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000267493254 188196690 /nfs/dbraw/zinc/19/66/90/188196690.db2.gz DRMREIXUDDJIKJ-QDEBKDIKSA-N 1 2 243.310 1.959 20 0 BDADLO C=Cn1cc(C[N@H+]2CCCC[C@H]2C(=O)NC)cn1 ZINC000193705215 188175532 /nfs/dbraw/zinc/17/55/32/188175532.db2.gz XIFIYBNHNHNULX-LBPRGKRZSA-N 1 2 248.330 1.084 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCCC[C@H]2C(=O)NC)cn1 ZINC000193705215 188175534 /nfs/dbraw/zinc/17/55/34/188175534.db2.gz XIFIYBNHNHNULX-LBPRGKRZSA-N 1 2 248.330 1.084 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2cc(C)no2)cn1 ZINC000194352353 188175655 /nfs/dbraw/zinc/17/56/55/188175655.db2.gz MOIRWRLOZGGILT-UHFFFAOYSA-N 1 2 218.260 1.570 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCCCCF ZINC000367451126 188180300 /nfs/dbraw/zinc/18/03/00/188180300.db2.gz PXHKNZCIYCJXMY-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCCCCF ZINC000367451126 188180302 /nfs/dbraw/zinc/18/03/02/188180302.db2.gz PXHKNZCIYCJXMY-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO CCN(C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000335085724 188180638 /nfs/dbraw/zinc/18/06/38/188180638.db2.gz NJIIFTSEWANLEL-UHFFFAOYSA-N 1 2 246.314 1.804 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000337273642 188185888 /nfs/dbraw/zinc/18/58/88/188185888.db2.gz CUPYCVITLTWXQS-ZJUUUORDSA-N 1 2 245.273 1.968 20 0 BDADLO CC(C)(CCO)CNc1nc[nH+]c(N)c1Cl ZINC000232517258 188187329 /nfs/dbraw/zinc/18/73/29/188187329.db2.gz UJBITYKRUGSDMC-UHFFFAOYSA-N 1 2 244.726 1.533 20 0 BDADLO CC(C)(CCO)CNc1[nH+]cnc(N)c1Cl ZINC000232517258 188187330 /nfs/dbraw/zinc/18/73/30/188187330.db2.gz UJBITYKRUGSDMC-UHFFFAOYSA-N 1 2 244.726 1.533 20 0 BDADLO CC(C)N1CC[N@H+](CC2CC(F)(F)C2)CC1=O ZINC000336265260 188192437 /nfs/dbraw/zinc/19/24/37/188192437.db2.gz DBLCRVGLBRGJEL-UHFFFAOYSA-N 1 2 246.301 1.584 20 0 BDADLO CC(C)N1CC[N@@H+](CC2CC(F)(F)C2)CC1=O ZINC000336265260 188192439 /nfs/dbraw/zinc/19/24/39/188192439.db2.gz DBLCRVGLBRGJEL-UHFFFAOYSA-N 1 2 246.301 1.584 20 0 BDADLO Cc1ccnc(CSCCn2cc[nH+]c2)n1 ZINC000341495498 188218176 /nfs/dbraw/zinc/21/81/76/188218176.db2.gz KJZDYEDNWCLNDW-UHFFFAOYSA-N 1 2 234.328 1.915 20 0 BDADLO CC(C)Cn1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000273017787 188200579 /nfs/dbraw/zinc/20/05/79/188200579.db2.gz SJIKXKGPVDSUIM-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000279197750 188204926 /nfs/dbraw/zinc/20/49/26/188204926.db2.gz MHOZRSSQJGGMQN-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CC(C)N(C)c1ccc(CNc2nnco2)c[nH+]1 ZINC000284963006 188206785 /nfs/dbraw/zinc/20/67/85/188206785.db2.gz AOILKUKWXHRXCG-UHFFFAOYSA-N 1 2 247.302 1.921 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](O)C1 ZINC000287543614 188209590 /nfs/dbraw/zinc/20/95/90/188209590.db2.gz OLLNUTZLTUDOIY-SNVBAGLBSA-N 1 2 235.287 1.297 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336474877 188230236 /nfs/dbraw/zinc/23/02/36/188230236.db2.gz WPUMRAAQRPTBCC-SECBINFHSA-N 1 2 221.304 1.696 20 0 BDADLO COc1ccc(N[C@H]2CCO[C@@H]2C)[nH+]c1 ZINC000225835535 538114262 /nfs/dbraw/zinc/11/42/62/538114262.db2.gz KOCVNYXTOKDAAC-SCZZXKLOSA-N 1 2 208.261 1.680 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(Cc2cncn2C)no1 ZINC000332709868 188227353 /nfs/dbraw/zinc/22/73/53/188227353.db2.gz OVECKQNYMXONRY-UHFFFAOYSA-N 1 2 249.318 1.234 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(Cc2cncn2C)no1 ZINC000332709868 188227354 /nfs/dbraw/zinc/22/73/54/188227354.db2.gz OVECKQNYMXONRY-UHFFFAOYSA-N 1 2 249.318 1.234 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1ccon1 ZINC000135467220 538115260 /nfs/dbraw/zinc/11/52/60/538115260.db2.gz FFPJWWYTUAZMOQ-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccn[nH]1 ZINC000084961420 538115356 /nfs/dbraw/zinc/11/53/56/538115356.db2.gz YPVLRJJBFBOLSG-VIFPVBQESA-N 1 2 205.261 1.724 20 0 BDADLO C[C@@H](C(=O)Nc1cc[nH+]cc1O)C1CC1 ZINC000334502759 353338318 /nfs/dbraw/zinc/33/83/18/353338318.db2.gz MUJLRXOMTPTHKL-SSDOTTSWSA-N 1 2 206.245 1.194 20 0 BDADLO C[C@H](C(=O)Nc1cc[nH+]cc1O)C1CC1 ZINC000334502761 353338386 /nfs/dbraw/zinc/33/83/86/353338386.db2.gz MUJLRXOMTPTHKL-ZETCQYMHSA-N 1 2 206.245 1.194 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)o1 ZINC000053038194 353354375 /nfs/dbraw/zinc/35/43/75/353354375.db2.gz VWUZLTOHANQGGQ-SECBINFHSA-N 1 2 207.273 1.999 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)o1 ZINC000053038194 353354378 /nfs/dbraw/zinc/35/43/78/353354378.db2.gz VWUZLTOHANQGGQ-SECBINFHSA-N 1 2 207.273 1.999 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)o1 ZINC000118413997 353415841 /nfs/dbraw/zinc/41/58/41/353415841.db2.gz TWLOHGDGODCATA-IUCAKERBSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)o1 ZINC000118413997 353415845 /nfs/dbraw/zinc/41/58/45/353415845.db2.gz TWLOHGDGODCATA-IUCAKERBSA-N 1 2 241.360 1.958 20 0 BDADLO BrC1=CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000281750741 353451188 /nfs/dbraw/zinc/45/11/88/353451188.db2.gz XVBVSCMSQIWZJK-UHFFFAOYSA-N 1 2 242.120 1.894 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)sn1 ZINC000639086111 353434890 /nfs/dbraw/zinc/43/48/90/353434890.db2.gz MRTTXLKKRLYYKQ-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)sn1 ZINC000639086111 353434893 /nfs/dbraw/zinc/43/48/93/353434893.db2.gz MRTTXLKKRLYYKQ-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO CCC[C@@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639093888 353476897 /nfs/dbraw/zinc/47/68/97/353476897.db2.gz BZXBWPYKHRESMR-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639093888 353476900 /nfs/dbraw/zinc/47/69/00/353476900.db2.gz BZXBWPYKHRESMR-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO OC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000231274840 353589316 /nfs/dbraw/zinc/58/93/16/353589316.db2.gz TVASWUQJHQMQRC-UHFFFAOYSA-N 1 2 227.695 1.087 20 0 BDADLO Cc1cc(NC[C@H]2CCC[C@@H](O)C2)nc[nH+]1 ZINC000230908511 353552453 /nfs/dbraw/zinc/55/24/53/353552453.db2.gz XDMLQSIGXVYEGT-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1F ZINC000334513046 353558919 /nfs/dbraw/zinc/55/89/19/353558919.db2.gz ZWIAGSMBYLUODR-PHIMTYICSA-N 1 2 234.274 1.917 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1F ZINC000334513046 353558920 /nfs/dbraw/zinc/55/89/20/353558920.db2.gz ZWIAGSMBYLUODR-PHIMTYICSA-N 1 2 234.274 1.917 20 0 BDADLO CO[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000231682735 353644167 /nfs/dbraw/zinc/64/41/67/353644167.db2.gz QZYCIKYHWIRCMV-DTWKUNHWSA-N 1 2 247.302 1.343 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096641832 353688698 /nfs/dbraw/zinc/68/86/98/353688698.db2.gz YJHZJAQJDZWACV-JTQLQIEISA-N 1 2 221.304 1.218 20 0 BDADLO CC(C)CN(C)c1nc[nH+]c(N)c1Cl ZINC000232565774 353735291 /nfs/dbraw/zinc/73/52/91/353735291.db2.gz VJOLCTIOVJTLEL-UHFFFAOYSA-N 1 2 214.700 1.804 20 0 BDADLO CC(C)CN(C)c1[nH+]cnc(N)c1Cl ZINC000232565774 353735293 /nfs/dbraw/zinc/73/52/93/353735293.db2.gz VJOLCTIOVJTLEL-UHFFFAOYSA-N 1 2 214.700 1.804 20 0 BDADLO c1cc(C[NH+]2CC([C@@H]3CCOC3)C2)no1 ZINC000639118608 353750429 /nfs/dbraw/zinc/75/04/29/353750429.db2.gz DDLAPMGRSSCAGE-SECBINFHSA-N 1 2 208.261 1.143 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(C)o1 ZINC000195519036 353766097 /nfs/dbraw/zinc/76/60/97/353766097.db2.gz ALQRUYJXINCBSZ-SECBINFHSA-N 1 2 249.318 1.695 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(C)o1 ZINC000195519036 353766101 /nfs/dbraw/zinc/76/61/01/353766101.db2.gz ALQRUYJXINCBSZ-SECBINFHSA-N 1 2 249.318 1.695 20 0 BDADLO Cc1cnc(CNc2ccc(CO)c[nH+]2)o1 ZINC000639132283 353841107 /nfs/dbraw/zinc/84/11/07/353841107.db2.gz KPEGURNNNRTYQU-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO Fc1cncc(C[NH2+]Cc2nccs2)c1 ZINC000308886214 181019161 /nfs/dbraw/zinc/01/91/61/181019161.db2.gz TXYYQGMEPUHODJ-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO CO[C@H](CNc1ccc(CO)c[nH+]1)C1CC1 ZINC000639133111 353842574 /nfs/dbraw/zinc/84/25/74/353842574.db2.gz YEURHPHYUXCHRB-LLVKDONJSA-N 1 2 222.288 1.411 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000335849996 535248553 /nfs/dbraw/zinc/24/85/53/535248553.db2.gz BYIOTCFJQIPFHQ-JTQLQIEISA-N 1 2 219.288 1.308 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C3CC3)no2)n(C)n1 ZINC000639147349 353852148 /nfs/dbraw/zinc/85/21/48/353852148.db2.gz MURQNXWVJCAZQO-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO Cc1nc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000343474807 353901758 /nfs/dbraw/zinc/90/17/58/353901758.db2.gz LPAAWSGXKVPVDZ-YNEHKIRRSA-N 1 2 247.342 1.609 20 0 BDADLO COc1cncc(C[NH2+][C@H](C)c2nc(C)no2)c1 ZINC000343859889 354025075 /nfs/dbraw/zinc/02/50/75/354025075.db2.gz WAEAMACYCCVXKU-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO Cc1cncc([C@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000343864919 354026585 /nfs/dbraw/zinc/02/65/85/354026585.db2.gz RFRYYWAUQVWZQM-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO C[C@H](c1cccs1)[N@H+](C)CCS(C)(=O)=O ZINC000053428442 363286707 /nfs/dbraw/zinc/28/67/07/363286707.db2.gz WZJOEPJJEGRPRM-SECBINFHSA-N 1 2 247.385 1.786 20 0 BDADLO C[C@H](c1cccs1)[N@@H+](C)CCS(C)(=O)=O ZINC000053428442 363286714 /nfs/dbraw/zinc/28/67/14/363286714.db2.gz WZJOEPJJEGRPRM-SECBINFHSA-N 1 2 247.385 1.786 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000343988246 354061858 /nfs/dbraw/zinc/06/18/58/354061858.db2.gz QJRUZBZBIVMHDJ-GMTAPVOTSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343937377 354047594 /nfs/dbraw/zinc/04/75/94/354047594.db2.gz YCMDFAMZNWFKGT-JFGNBEQYSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084147 354136336 /nfs/dbraw/zinc/13/63/36/354136336.db2.gz FVSHPEVQAXMYER-BDAKNGLRSA-N 1 2 242.298 1.438 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084147 354136337 /nfs/dbraw/zinc/13/63/37/354136337.db2.gz FVSHPEVQAXMYER-BDAKNGLRSA-N 1 2 242.298 1.438 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084148 354136349 /nfs/dbraw/zinc/13/63/49/354136349.db2.gz FVSHPEVQAXMYER-DTWKUNHWSA-N 1 2 242.298 1.438 20 0 BDADLO C[C@H](F)CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084148 354136350 /nfs/dbraw/zinc/13/63/50/354136350.db2.gz FVSHPEVQAXMYER-DTWKUNHWSA-N 1 2 242.298 1.438 20 0 BDADLO C[C@H]1C[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)CO1 ZINC000344053142 354124714 /nfs/dbraw/zinc/12/47/14/354124714.db2.gz SOGCQAADZXFGAT-VHSXEESVSA-N 1 2 249.314 1.511 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)CO1 ZINC000344053137 354125112 /nfs/dbraw/zinc/12/51/12/354125112.db2.gz SOGCQAADZXFGAT-NXEZZACHSA-N 1 2 249.314 1.511 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129074 354147863 /nfs/dbraw/zinc/14/78/63/354147863.db2.gz XMBGUDZKYDMAGE-IUCAKERBSA-N 1 2 242.298 1.438 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129074 354147869 /nfs/dbraw/zinc/14/78/69/354147869.db2.gz XMBGUDZKYDMAGE-IUCAKERBSA-N 1 2 242.298 1.438 20 0 BDADLO COCC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449669608 202001373 /nfs/dbraw/zinc/00/13/73/202001373.db2.gz YEMPFEOLFPSMCD-UWVGGRQHSA-N 1 2 217.309 1.341 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCCF)C2)[nH]1 ZINC000344107128 354160151 /nfs/dbraw/zinc/16/01/51/354160151.db2.gz PUBTYIRDAMPJSU-QMMMGPOBSA-N 1 2 228.271 1.049 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCCF)C2)[nH]1 ZINC000344107128 354160153 /nfs/dbraw/zinc/16/01/53/354160153.db2.gz PUBTYIRDAMPJSU-QMMMGPOBSA-N 1 2 228.271 1.049 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CC(F)C3)n21 ZINC000334587981 354214632 /nfs/dbraw/zinc/21/46/32/354214632.db2.gz IFJYJOJMFYDXDZ-UHFFFAOYSA-N 1 2 219.263 1.796 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000529667605 324375156 /nfs/dbraw/zinc/37/51/56/324375156.db2.gz ZUNFIUFWUYKYNC-ZDUSSCGKSA-N 1 2 238.331 1.262 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000529667605 324375163 /nfs/dbraw/zinc/37/51/63/324375163.db2.gz ZUNFIUFWUYKYNC-ZDUSSCGKSA-N 1 2 238.331 1.262 20 0 BDADLO O=C(CC1CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000334596564 354229888 /nfs/dbraw/zinc/22/98/88/354229888.db2.gz PPCMNSFLSYXZHN-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1ncc(CN[C@@H]2CCC[N@H+](C)[C@@H]2C)cn1 ZINC000344339596 354235837 /nfs/dbraw/zinc/23/58/37/354235837.db2.gz YLCRVBKZOOKYQE-ZWNOBZJWSA-N 1 2 234.347 1.357 20 0 BDADLO Cc1ncc(CN[C@@H]2CCC[N@@H+](C)[C@@H]2C)cn1 ZINC000344339596 354235838 /nfs/dbraw/zinc/23/58/38/354235838.db2.gz YLCRVBKZOOKYQE-ZWNOBZJWSA-N 1 2 234.347 1.357 20 0 BDADLO COc1cccc(C)c1C[NH+]1CC(NC(C)=O)C1 ZINC000639180580 354282753 /nfs/dbraw/zinc/28/27/53/354282753.db2.gz MPGQUSWQJVYIBH-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)n(C)n1 ZINC000334604303 354284476 /nfs/dbraw/zinc/28/44/76/354284476.db2.gz NMGOFVLOXXPVTC-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)n(C)n1 ZINC000334604303 354284477 /nfs/dbraw/zinc/28/44/77/354284477.db2.gz NMGOFVLOXXPVTC-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000232149127 363364822 /nfs/dbraw/zinc/36/48/22/363364822.db2.gz LXLUITWBWMXGTD-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000232149127 363364829 /nfs/dbraw/zinc/36/48/29/363364829.db2.gz LXLUITWBWMXGTD-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO COc1cncc(C[NH+]2CC(C)(OC)C2)c1C ZINC000639181181 354313779 /nfs/dbraw/zinc/31/37/79/354313779.db2.gz SSLASGBNVLHRPS-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000344578440 354309444 /nfs/dbraw/zinc/30/94/44/354309444.db2.gz ZRPGFPJNAHMWGU-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CO[C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000074231380 354309552 /nfs/dbraw/zinc/30/95/52/354309552.db2.gz HOBIEYTXKOEJCN-JTQLQIEISA-N 1 2 239.319 1.060 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000334600417 354277337 /nfs/dbraw/zinc/27/73/37/354277337.db2.gz ZQEQWAAZMHMMIK-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)NCC1(C)C ZINC000334600417 354277340 /nfs/dbraw/zinc/27/73/40/354277340.db2.gz ZQEQWAAZMHMMIK-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC1(F)CC1 ZINC000577972629 366154688 /nfs/dbraw/zinc/15/46/88/366154688.db2.gz MQWQJKBYMUAQQG-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000577972629 366154689 /nfs/dbraw/zinc/15/46/89/366154689.db2.gz MQWQJKBYMUAQQG-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CC[C@@](C)(C[N@H+](C)Cc1nncn1C)OC ZINC000639181849 354331323 /nfs/dbraw/zinc/33/13/23/354331323.db2.gz CGTMLWNLDZYCDU-NSHDSACASA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@@](C)(C[N@@H+](C)Cc1nncn1C)OC ZINC000639181849 354331324 /nfs/dbraw/zinc/33/13/24/354331324.db2.gz CGTMLWNLDZYCDU-NSHDSACASA-N 1 2 226.324 1.062 20 0 BDADLO COC(=O)CC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000344705731 354352620 /nfs/dbraw/zinc/35/26/20/354352620.db2.gz DZENUBOWLLWJSZ-UHFFFAOYSA-N 1 2 243.303 1.015 20 0 BDADLO CO[C@](C)(C[N@@H+]1CCOCC(F)(F)C1)C1CC1 ZINC000639186211 354380012 /nfs/dbraw/zinc/38/00/12/354380012.db2.gz LAZYRDKFHAFOMG-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@](C)(C[N@H+]1CCOCC(F)(F)C1)C1CC1 ZINC000639186211 354380015 /nfs/dbraw/zinc/38/00/15/354380015.db2.gz LAZYRDKFHAFOMG-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO CC[C@](C)(C[N@@H+]1CCOCC(F)(F)C1)OC ZINC000639186791 354386160 /nfs/dbraw/zinc/38/61/60/354386160.db2.gz SRPQGFRQBXMHGN-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO CC[C@](C)(C[N@H+]1CCOCC(F)(F)C1)OC ZINC000639186791 354386162 /nfs/dbraw/zinc/38/61/62/354386162.db2.gz SRPQGFRQBXMHGN-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO COC1(C)CN(Cc2cccc3[nH+]ccn32)C1 ZINC000334644380 354402348 /nfs/dbraw/zinc/40/23/48/354402348.db2.gz IGFVZNNLEVYXIY-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@]1(c2ccccc2)CC[N@H+](Cc2cnn[nH]2)C1 ZINC000334679386 354425275 /nfs/dbraw/zinc/42/52/75/354425275.db2.gz SZEOSUNEKYFNSA-CQSZACIVSA-N 1 2 242.326 1.968 20 0 BDADLO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000334679386 354425277 /nfs/dbraw/zinc/42/52/77/354425277.db2.gz SZEOSUNEKYFNSA-CQSZACIVSA-N 1 2 242.326 1.968 20 0 BDADLO C[C@@]1(c2ccccc2)CC[N@H+](Cc2cn[nH]n2)C1 ZINC000334679386 354425280 /nfs/dbraw/zinc/42/52/80/354425280.db2.gz SZEOSUNEKYFNSA-CQSZACIVSA-N 1 2 242.326 1.968 20 0 BDADLO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000334679386 354425282 /nfs/dbraw/zinc/42/52/82/354425282.db2.gz SZEOSUNEKYFNSA-CQSZACIVSA-N 1 2 242.326 1.968 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1c[nH]cn1 ZINC000334651412 354443805 /nfs/dbraw/zinc/44/38/05/354443805.db2.gz CKUJJTGYDIZTEK-UHFFFAOYSA-N 1 2 231.259 1.195 20 0 BDADLO CCN1CC[N@H+](Cc2cncc(C)c2)[C@@H](C)C1=O ZINC000334695233 354486016 /nfs/dbraw/zinc/48/60/16/354486016.db2.gz PGMGXPOSMWTSHU-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cncc(C)c2)[C@@H](C)C1=O ZINC000334695233 354486017 /nfs/dbraw/zinc/48/60/17/354486017.db2.gz PGMGXPOSMWTSHU-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335929652 134009692 /nfs/dbraw/zinc/00/96/92/134009692.db2.gz HEQFVXUHJMCSOE-MRVPVSSYSA-N 1 2 207.277 1.308 20 0 BDADLO CCN1CC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000334662925 354463263 /nfs/dbraw/zinc/46/32/63/354463263.db2.gz NWBKBHODPXYMAS-UHFFFAOYSA-N 1 2 247.298 1.483 20 0 BDADLO Cn1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000334665738 354467491 /nfs/dbraw/zinc/46/74/91/354467491.db2.gz IWELLCKDGTUBIG-UHFFFAOYSA-N 1 2 244.298 1.810 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CC[C@@H](C)O2)cc[nH+]1 ZINC000334693164 354483341 /nfs/dbraw/zinc/48/33/41/354483341.db2.gz LRLABVLUVXBNEQ-ZYHUDNBSSA-N 1 2 249.314 1.501 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2COCC2(C)C)cc[nH+]1 ZINC000334692835 354483362 /nfs/dbraw/zinc/48/33/62/354483362.db2.gz FOALXOQVEYPCCU-NSHDSACASA-N 1 2 249.314 1.358 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1conc1C ZINC000334733521 354533938 /nfs/dbraw/zinc/53/39/38/354533938.db2.gz UAETXDFHZFTQCV-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1conc1C ZINC000334733521 354533939 /nfs/dbraw/zinc/53/39/39/354533939.db2.gz UAETXDFHZFTQCV-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3cncc(F)c3)CCN12 ZINC000334737916 354540009 /nfs/dbraw/zinc/54/00/09/354540009.db2.gz ODMBVNBZROIOIU-LBPRGKRZSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3cncc(F)c3)CCN12 ZINC000334737916 354540014 /nfs/dbraw/zinc/54/00/14/354540014.db2.gz ODMBVNBZROIOIU-LBPRGKRZSA-N 1 2 249.289 1.027 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335929757 134010204 /nfs/dbraw/zinc/01/02/04/134010204.db2.gz SMXCPLXUZJNAGN-SECBINFHSA-N 1 2 221.304 1.698 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000334713874 354512037 /nfs/dbraw/zinc/51/20/37/354512037.db2.gz FDJTWQIDBKBFOB-SECBINFHSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000334713874 354512039 /nfs/dbraw/zinc/51/20/39/354512039.db2.gz FDJTWQIDBKBFOB-SECBINFHSA-N 1 2 219.288 1.772 20 0 BDADLO Nc1c(F)cccc1CN1CCn2c[nH+]cc2C1 ZINC000639191421 354513067 /nfs/dbraw/zinc/51/30/67/354513067.db2.gz JMEOCDKJUYARTM-UHFFFAOYSA-N 1 2 246.289 1.620 20 0 BDADLO C[C@@H](C(=O)Nc1cc[nH+]cc1O)C1CCC1 ZINC000334717224 354516255 /nfs/dbraw/zinc/51/62/55/354516255.db2.gz SVOMNZBFPUIODL-MRVPVSSYSA-N 1 2 220.272 1.584 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)CC1CC1 ZINC000032690303 354519927 /nfs/dbraw/zinc/51/99/27/354519927.db2.gz UEKLABAFVYBJSA-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCOC1 ZINC000334720259 354520243 /nfs/dbraw/zinc/52/02/43/354520243.db2.gz GFFCDRSSMDKROY-GFCCVEGCSA-N 1 2 235.331 1.440 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@](C)(O)C1 ZINC000334799764 354555422 /nfs/dbraw/zinc/55/54/22/354555422.db2.gz XTNAVYKEAFTEIG-ZDUSSCGKSA-N 1 2 249.289 1.674 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000334805420 354562039 /nfs/dbraw/zinc/56/20/39/354562039.db2.gz ISCYXZLPPPLSJB-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCCC2(CCCC2)C1 ZINC000334805420 354562041 /nfs/dbraw/zinc/56/20/41/354562041.db2.gz ISCYXZLPPPLSJB-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000334805420 354562042 /nfs/dbraw/zinc/56/20/42/354562042.db2.gz ISCYXZLPPPLSJB-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000334805420 354562044 /nfs/dbraw/zinc/56/20/44/354562044.db2.gz ISCYXZLPPPLSJB-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000334814167 354571298 /nfs/dbraw/zinc/57/12/98/354571298.db2.gz DOJHGSBEIRJUQN-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000334814167 354571302 /nfs/dbraw/zinc/57/13/02/354571302.db2.gz DOJHGSBEIRJUQN-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000334814167 354571304 /nfs/dbraw/zinc/57/13/04/354571304.db2.gz DOJHGSBEIRJUQN-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO Cn1c(C[N@@H+]2CCC23CCC3)nnc1C1CC1 ZINC000334752991 354574794 /nfs/dbraw/zinc/57/47/94/354574794.db2.gz KMGGTYGMTBYIPY-UHFFFAOYSA-N 1 2 232.331 1.821 20 0 BDADLO Cn1c(C[N@H+]2CCC23CCC3)nnc1C1CC1 ZINC000334752991 354574798 /nfs/dbraw/zinc/57/47/98/354574798.db2.gz KMGGTYGMTBYIPY-UHFFFAOYSA-N 1 2 232.331 1.821 20 0 BDADLO CCc1cccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000334766506 354587534 /nfs/dbraw/zinc/58/75/34/354587534.db2.gz BXDDNSLHBLSRBK-UHFFFAOYSA-N 1 2 233.315 1.032 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccns2)CCC1(F)F ZINC000639197665 354598776 /nfs/dbraw/zinc/59/87/76/354598776.db2.gz XKZSWOBWQOJMJK-MRVPVSSYSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccns2)CCC1(F)F ZINC000639197665 354598777 /nfs/dbraw/zinc/59/87/77/354598777.db2.gz XKZSWOBWQOJMJK-MRVPVSSYSA-N 1 2 248.298 1.593 20 0 BDADLO Cc1cn2cc(NC(=O)CC(N)=O)ccc2[nH+]1 ZINC000334796770 354550646 /nfs/dbraw/zinc/55/06/46/354550646.db2.gz FQXQGWUIMGKRRI-UHFFFAOYSA-N 1 2 232.243 1.507 20 0 BDADLO CC(C)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345387140 354647796 /nfs/dbraw/zinc/64/77/96/354647796.db2.gz NKOAWIYYDUYYIC-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000349770683 366226992 /nfs/dbraw/zinc/22/69/92/366226992.db2.gz OFHYWRQMRJWJPI-UHFFFAOYSA-N 1 2 228.255 1.925 20 0 BDADLO c1cnc2cc(C[N@@H+]3CCO[C@H]4C[C@H]43)ccc2n1 ZINC000639201828 354606410 /nfs/dbraw/zinc/60/64/10/354606410.db2.gz NLZSLEFSMPDMPY-KGLIPLIRSA-N 1 2 241.294 1.603 20 0 BDADLO c1cnc2cc(C[N@H+]3CCO[C@H]4C[C@H]43)ccc2n1 ZINC000639201828 354606413 /nfs/dbraw/zinc/60/64/13/354606413.db2.gz NLZSLEFSMPDMPY-KGLIPLIRSA-N 1 2 241.294 1.603 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000335089640 354624685 /nfs/dbraw/zinc/62/46/85/354624685.db2.gz FYDWEFYJYDXOQM-NXEZZACHSA-N 1 2 239.294 1.565 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1=CCC1 ZINC000335108317 354694078 /nfs/dbraw/zinc/69/40/78/354694078.db2.gz UNWRGGOTACSDDY-UHFFFAOYSA-N 1 2 202.257 1.725 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000335114840 354703683 /nfs/dbraw/zinc/70/36/83/354703683.db2.gz HKFBNIZOAUKOCV-MNOVXSKESA-N 1 2 226.320 1.066 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000335114840 354703686 /nfs/dbraw/zinc/70/36/86/354703686.db2.gz HKFBNIZOAUKOCV-MNOVXSKESA-N 1 2 226.320 1.066 20 0 BDADLO CCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000345632326 354719529 /nfs/dbraw/zinc/71/95/29/354719529.db2.gz ARJHXCLPADLZDA-UHFFFAOYSA-N 1 2 209.293 1.567 20 0 BDADLO CCCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000345632326 354719533 /nfs/dbraw/zinc/71/95/33/354719533.db2.gz ARJHXCLPADLZDA-UHFFFAOYSA-N 1 2 209.293 1.567 20 0 BDADLO CC(C)n1cc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000345774039 354758681 /nfs/dbraw/zinc/75/86/81/354758681.db2.gz PXZKXVMLLWNCCR-UHFFFAOYSA-N 1 2 246.270 1.239 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000345822267 354789414 /nfs/dbraw/zinc/78/94/14/354789414.db2.gz LCBFHUZUFLCPRX-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000345822267 354789418 /nfs/dbraw/zinc/78/94/18/354789418.db2.gz LCBFHUZUFLCPRX-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CC(C)(C)c1n[nH]c(=NCCCC[NH3+])s1 ZINC000420227299 192179530 /nfs/dbraw/zinc/17/95/30/192179530.db2.gz BUVSRSWIHXAXEB-UHFFFAOYSA-N 1 2 228.365 1.408 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1csc(COC)n1 ZINC000345878576 354795628 /nfs/dbraw/zinc/79/56/28/354795628.db2.gz DBPFTUYNTWXZLZ-JTQLQIEISA-N 1 2 244.360 1.492 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1csc(COC)n1 ZINC000345878576 354795630 /nfs/dbraw/zinc/79/56/30/354795630.db2.gz DBPFTUYNTWXZLZ-JTQLQIEISA-N 1 2 244.360 1.492 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCSC1)C1CC1 ZINC000234528776 363423417 /nfs/dbraw/zinc/42/34/17/363423417.db2.gz LDNOVAPVMXOHIU-BDAKNGLRSA-N 1 2 215.318 1.033 20 0 BDADLO COC1(C)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000346268917 354885877 /nfs/dbraw/zinc/88/58/77/354885877.db2.gz VCCRQGKBNRZERU-UHFFFAOYSA-N 1 2 221.304 1.825 20 0 BDADLO CN(CC1CCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000346348389 354887446 /nfs/dbraw/zinc/88/74/46/354887446.db2.gz XPIZDYSDHMXQDM-UHFFFAOYSA-N 1 2 235.331 1.946 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CCSCC1 ZINC000346331321 354898251 /nfs/dbraw/zinc/89/82/51/354898251.db2.gz MMZVZVNWWFQTQQ-UHFFFAOYSA-N 1 2 239.344 1.272 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1CCSCC1 ZINC000346331321 354898253 /nfs/dbraw/zinc/89/82/53/354898253.db2.gz MMZVZVNWWFQTQQ-UHFFFAOYSA-N 1 2 239.344 1.272 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccsc1 ZINC000346342243 354901055 /nfs/dbraw/zinc/90/10/55/354901055.db2.gz WTIZNEBAIMLKIC-UHFFFAOYSA-N 1 2 221.285 1.973 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC[C@@H](O)C1 ZINC000346344856 354901347 /nfs/dbraw/zinc/90/13/47/354901347.db2.gz YDQDDXDDIKQIGP-RKDXNWHRSA-N 1 2 236.271 1.190 20 0 BDADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172065 354936688 /nfs/dbraw/zinc/93/66/88/354936688.db2.gz AMCNKSMPEYOLTJ-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172065 354936690 /nfs/dbraw/zinc/93/66/90/354936690.db2.gz AMCNKSMPEYOLTJ-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO CC(C)N(CC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000346616611 354994004 /nfs/dbraw/zinc/99/40/04/354994004.db2.gz AUFPTVBHDWHNGX-UHFFFAOYSA-N 1 2 249.236 1.682 20 0 BDADLO Cc1cc(NCCNc2cccc[nH+]2)ncn1 ZINC000346617589 354995066 /nfs/dbraw/zinc/99/50/66/354995066.db2.gz HLZIBWMDSCRLKO-UHFFFAOYSA-N 1 2 229.287 1.126 20 0 BDADLO COCCc1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000639226914 355046064 /nfs/dbraw/zinc/04/60/64/355046064.db2.gz GMZUDWJUKDIXBU-VIFPVBQESA-N 1 2 244.335 1.876 20 0 BDADLO COCCc1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000639226914 355046066 /nfs/dbraw/zinc/04/60/66/355046066.db2.gz GMZUDWJUKDIXBU-VIFPVBQESA-N 1 2 244.335 1.876 20 0 BDADLO FC1(F)COCC[N@H+](CCC2CC2)C1 ZINC000335190329 355022992 /nfs/dbraw/zinc/02/29/92/355022992.db2.gz JUEYVTHTNGYJGK-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO FC1(F)COCC[N@@H+](CCC2CC2)C1 ZINC000335190329 355022995 /nfs/dbraw/zinc/02/29/95/355022995.db2.gz JUEYVTHTNGYJGK-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@](C)(O)C2)[nH+]1 ZINC000346701242 355073946 /nfs/dbraw/zinc/07/39/46/355073946.db2.gz RUIQDMREWRRCHO-CYBMUJFWSA-N 1 2 246.314 1.618 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cccnc1 ZINC000346720845 355104279 /nfs/dbraw/zinc/10/42/79/355104279.db2.gz NWYAQXWJMIJQIP-UHFFFAOYSA-N 1 2 229.239 1.738 20 0 BDADLO COC(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000346850135 355137956 /nfs/dbraw/zinc/13/79/56/355137956.db2.gz PKPDIAHIIPPSGP-UHFFFAOYSA-N 1 2 231.299 1.889 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1C ZINC000639230022 355144488 /nfs/dbraw/zinc/14/44/88/355144488.db2.gz GHHSGLBIABHIMZ-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1C ZINC000639230022 355144491 /nfs/dbraw/zinc/14/44/91/355144491.db2.gz GHHSGLBIABHIMZ-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H](C(C)(C)C)C1 ZINC000335243681 355181299 /nfs/dbraw/zinc/18/12/99/355181299.db2.gz NSFSKQDJWMVDBV-LLVKDONJSA-N 1 2 237.347 1.667 20 0 BDADLO Cc1nc(C)c(N(C)Cc2[nH+]ccn2C)nc1C ZINC000413027895 191352321 /nfs/dbraw/zinc/35/23/21/191352321.db2.gz BUOXDIDLROKRHM-UHFFFAOYSA-N 1 2 245.330 1.772 20 0 BDADLO c1nc(NC2CC2)cc(NC[C@H]2CCOC2)[nH+]1 ZINC000413075530 191353907 /nfs/dbraw/zinc/35/39/07/191353907.db2.gz PSTVHWFIWBAXCW-SECBINFHSA-N 1 2 234.303 1.499 20 0 BDADLO c1nc(NC[C@H]2CCOC2)cc(NC2CC2)[nH+]1 ZINC000413075530 191353910 /nfs/dbraw/zinc/35/39/10/191353910.db2.gz PSTVHWFIWBAXCW-SECBINFHSA-N 1 2 234.303 1.499 20 0 BDADLO Cc1cc(N[C@H](C)c2ccn(C)n2)nc[nH+]1 ZINC000413466214 191382466 /nfs/dbraw/zinc/38/24/66/191382466.db2.gz XHYNRABQIBDHTJ-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO FC[C@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000413469161 191383090 /nfs/dbraw/zinc/38/30/90/191383090.db2.gz DSTDFOOFYBWMPO-JTQLQIEISA-N 1 2 247.273 1.805 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@@H](O)C(C)C ZINC000413542701 191394900 /nfs/dbraw/zinc/39/49/00/191394900.db2.gz OEPJJRIGBCOIFP-JQWIXIFHSA-N 1 2 223.320 1.992 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CC[C@H](C)O2)[nH+]1 ZINC000413370433 191377315 /nfs/dbraw/zinc/37/73/15/191377315.db2.gz CRCNSXCYESSHOT-WPRPVWTQSA-N 1 2 246.314 1.668 20 0 BDADLO Cc1nc(N(C)C2CC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000413438053 191380487 /nfs/dbraw/zinc/38/04/87/191380487.db2.gz LGNVOUMLSCTPMK-UHFFFAOYSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)C2CC(C)(C)C2)[nH+]1 ZINC000413438053 191380488 /nfs/dbraw/zinc/38/04/88/191380488.db2.gz LGNVOUMLSCTPMK-UHFFFAOYSA-N 1 2 249.362 1.871 20 0 BDADLO CC1(O)C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000639253523 355290840 /nfs/dbraw/zinc/29/08/40/355290840.db2.gz IRXBNBJDGDUQGH-UHFFFAOYSA-N 1 2 216.284 1.735 20 0 BDADLO CCOC1(C)CN([C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639263730 355318283 /nfs/dbraw/zinc/31/82/83/355318283.db2.gz FGYTWIUYCZNKEZ-LBPRGKRZSA-N 1 2 249.358 1.982 20 0 BDADLO CCC1(CC)C[NH+](Cc2ncnn2C)C1 ZINC000639250919 355281638 /nfs/dbraw/zinc/28/16/38/355281638.db2.gz YYLJGFIHQSPEGB-UHFFFAOYSA-N 1 2 208.309 1.437 20 0 BDADLO CCOC1C[NH+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639250391 355283340 /nfs/dbraw/zinc/28/33/40/355283340.db2.gz OOSNJDWBYLKMQO-JTQLQIEISA-N 1 2 235.331 1.875 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349237967 355372821 /nfs/dbraw/zinc/37/28/21/355372821.db2.gz JEVAOCJZUJKABF-NXEZZACHSA-N 1 2 239.319 1.486 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccon1 ZINC000349237210 355373011 /nfs/dbraw/zinc/37/30/11/355373011.db2.gz DTKLSLWQQGOCDH-SECBINFHSA-N 1 2 237.303 1.242 20 0 BDADLO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccon1 ZINC000349235782 355373133 /nfs/dbraw/zinc/37/31/33/355373133.db2.gz GIBOSWKJNIYVFK-VIFPVBQESA-N 1 2 237.303 1.194 20 0 BDADLO O=C(Cc1cc[nH]n1)Nc1ccc2[nH+]ccn2c1 ZINC000608364027 355379026 /nfs/dbraw/zinc/37/90/26/355379026.db2.gz UPBFEMHKCNPQIS-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO CCCCCNC(=O)N1CCn2cc[nH+]c2C1 ZINC000349660949 355399031 /nfs/dbraw/zinc/39/90/31/355399031.db2.gz DKGVIQIBURTQPT-UHFFFAOYSA-N 1 2 236.319 1.599 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000335800248 355492851 /nfs/dbraw/zinc/49/28/51/355492851.db2.gz HMZLYQKCPIDRMB-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000335800248 355492853 /nfs/dbraw/zinc/49/28/53/355492853.db2.gz HMZLYQKCPIDRMB-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO CC(=O)c1ccc(C(=O)Nc2cc[nH+]cc2C)o1 ZINC000335820634 355538578 /nfs/dbraw/zinc/53/85/78/355538578.db2.gz AYPVVPOJNHITRB-UHFFFAOYSA-N 1 2 244.250 1.860 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccco1 ZINC000335822594 355542807 /nfs/dbraw/zinc/54/28/07/355542807.db2.gz UPMBXFWKMUEJSV-STQMWFEESA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccco1 ZINC000335822594 355542810 /nfs/dbraw/zinc/54/28/10/355542810.db2.gz UPMBXFWKMUEJSV-STQMWFEESA-N 1 2 249.310 1.850 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335817124 355507220 /nfs/dbraw/zinc/50/72/20/355507220.db2.gz LSKSVPGXZZZCQH-MNOVXSKESA-N 1 2 235.331 1.606 20 0 BDADLO C[NH2+]Cc1noc(Cc2c(C)cccc2C)n1 ZINC000349921665 355527784 /nfs/dbraw/zinc/52/77/84/355527784.db2.gz NRLOZXSCHGPXLI-UHFFFAOYSA-N 1 2 231.299 1.997 20 0 BDADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)c1ccccc1 ZINC000335841339 355585640 /nfs/dbraw/zinc/58/56/40/355585640.db2.gz NLPPEJXANNAMKM-LLVKDONJSA-N 1 2 246.310 1.032 20 0 BDADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)c1ccccc1 ZINC000335841339 355585644 /nfs/dbraw/zinc/58/56/44/355585644.db2.gz NLPPEJXANNAMKM-LLVKDONJSA-N 1 2 246.310 1.032 20 0 BDADLO NC(=O)C[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000330614298 181201976 /nfs/dbraw/zinc/20/19/76/181201976.db2.gz RWKIFALWHHHJMG-QMMMGPOBSA-N 1 2 240.332 1.675 20 0 BDADLO NC(=O)C[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000330614298 181201978 /nfs/dbraw/zinc/20/19/78/181201978.db2.gz RWKIFALWHHHJMG-QMMMGPOBSA-N 1 2 240.332 1.675 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(C3CC3)no2)nn1 ZINC000639310620 355664049 /nfs/dbraw/zinc/66/40/49/355664049.db2.gz UPRNWEQGEFCTLC-UHFFFAOYSA-N 1 2 247.302 1.453 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2cnccn12 ZINC000331660442 181203909 /nfs/dbraw/zinc/20/39/09/181203909.db2.gz XAELXLBRJSQPRC-JTQLQIEISA-N 1 2 245.286 1.229 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000331660442 181203910 /nfs/dbraw/zinc/20/39/10/181203910.db2.gz XAELXLBRJSQPRC-JTQLQIEISA-N 1 2 245.286 1.229 20 0 BDADLO CC(C)[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000335867723 355632584 /nfs/dbraw/zinc/63/25/84/355632584.db2.gz ABRQHBZZQWJKLE-SNVBAGLBSA-N 1 2 209.293 1.267 20 0 BDADLO CC(C)c1noc(Cc2c[nH+]cn2C)n1 ZINC000350392174 355695282 /nfs/dbraw/zinc/69/52/82/355695282.db2.gz BTDQAMLMCSSQMN-UHFFFAOYSA-N 1 2 206.249 1.517 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCC[C@](C)(F)C2)C1 ZINC000582191078 355700064 /nfs/dbraw/zinc/70/00/64/355700064.db2.gz NCFQICKNQYKTCY-ZDUSSCGKSA-N 1 2 242.338 1.679 20 0 BDADLO COC1(C[N@@H+]2Cc3cnn(C)c3C2)CCCC1 ZINC000639321383 355722445 /nfs/dbraw/zinc/72/24/45/355722445.db2.gz RQAZXXYUDLYQIJ-UHFFFAOYSA-N 1 2 235.331 1.695 20 0 BDADLO COC1(C[N@H+]2Cc3cnn(C)c3C2)CCCC1 ZINC000639321383 355722448 /nfs/dbraw/zinc/72/24/48/355722448.db2.gz RQAZXXYUDLYQIJ-UHFFFAOYSA-N 1 2 235.331 1.695 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2C(C)(C)C)[C@H]1C ZINC000335887122 355678881 /nfs/dbraw/zinc/67/88/81/355678881.db2.gz HAPZICHCPTXFLS-ZJUUUORDSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)[C@H]1C ZINC000335887122 355678883 /nfs/dbraw/zinc/67/88/83/355678883.db2.gz HAPZICHCPTXFLS-ZJUUUORDSA-N 1 2 222.336 1.873 20 0 BDADLO Cc1cc(N2C[C@H](O)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000350683796 355740628 /nfs/dbraw/zinc/74/06/28/355740628.db2.gz HWNPGBLKQVUFAO-MWLCHTKSSA-N 1 2 233.315 1.622 20 0 BDADLO CCC[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000350704191 355744756 /nfs/dbraw/zinc/74/47/56/355744756.db2.gz YADJZZPURHWYSK-UHFFFAOYSA-N 1 2 221.308 1.382 20 0 BDADLO CCC[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000350704191 355744759 /nfs/dbraw/zinc/74/47/59/355744759.db2.gz YADJZZPURHWYSK-UHFFFAOYSA-N 1 2 221.308 1.382 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000350723989 355749637 /nfs/dbraw/zinc/74/96/37/355749637.db2.gz GZFHYRVYJYAXND-PSASIEDQSA-N 1 2 219.288 1.314 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@H]2CO)cs1 ZINC000639334502 355765455 /nfs/dbraw/zinc/76/54/55/355765455.db2.gz SAEDVGITXICJNN-LBPRGKRZSA-N 1 2 240.372 1.165 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2CO)cs1 ZINC000639334502 355765457 /nfs/dbraw/zinc/76/54/57/355765457.db2.gz SAEDVGITXICJNN-LBPRGKRZSA-N 1 2 240.372 1.165 20 0 BDADLO CN1CC[N@H+](C/C=C/c2ccccc2)[C@H](CO)C1 ZINC000639336425 355770779 /nfs/dbraw/zinc/77/07/79/355770779.db2.gz IUJUHVHGKSFOAK-PXTSUWAFSA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C/c2ccccc2)[C@H](CO)C1 ZINC000639336425 355770785 /nfs/dbraw/zinc/77/07/85/355770785.db2.gz IUJUHVHGKSFOAK-PXTSUWAFSA-N 1 2 246.354 1.308 20 0 BDADLO CC(C)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022210 134055978 /nfs/dbraw/zinc/05/59/78/134055978.db2.gz HVJDNXWOEHMPNL-VIFPVBQESA-N 1 2 236.319 1.222 20 0 BDADLO CC(C)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022210 134055979 /nfs/dbraw/zinc/05/59/79/134055979.db2.gz HVJDNXWOEHMPNL-VIFPVBQESA-N 1 2 236.319 1.222 20 0 BDADLO Cn1ncnc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000639339421 355780978 /nfs/dbraw/zinc/78/09/78/355780978.db2.gz BODWGJNXTABZKY-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO c1[nH]nnc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639341249 355782502 /nfs/dbraw/zinc/78/25/02/355782502.db2.gz JRWUUJOSJSUKJR-KXUCPTDWSA-N 1 2 206.293 1.331 20 0 BDADLO c1n[nH]nc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639341249 355782505 /nfs/dbraw/zinc/78/25/05/355782505.db2.gz JRWUUJOSJSUKJR-KXUCPTDWSA-N 1 2 206.293 1.331 20 0 BDADLO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000639342528 355784374 /nfs/dbraw/zinc/78/43/74/355784374.db2.gz WYARPSLOPDADBK-ZWNOBZJWSA-N 1 2 246.314 1.671 20 0 BDADLO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000639342528 355784378 /nfs/dbraw/zinc/78/43/78/355784378.db2.gz WYARPSLOPDADBK-ZWNOBZJWSA-N 1 2 246.314 1.671 20 0 BDADLO c1coc(CC2C[NH+](Cc3ccon3)C2)c1 ZINC000639348613 355789745 /nfs/dbraw/zinc/78/97/45/355789745.db2.gz CWLIJFJXXYTJRT-UHFFFAOYSA-N 1 2 218.256 1.942 20 0 BDADLO Nc1cc(CSc2cccnn2)cc[nH+]1 ZINC000336764352 181210666 /nfs/dbraw/zinc/21/06/66/181210666.db2.gz QEHNRJQSKIUNHX-UHFFFAOYSA-N 1 2 218.285 1.576 20 0 BDADLO Nc1ccc(CNC(=O)Nc2ccsc2)c[nH+]1 ZINC000334205082 181210780 /nfs/dbraw/zinc/21/07/80/181210780.db2.gz TXNUOCPRSWXPBI-UHFFFAOYSA-N 1 2 248.311 1.877 20 0 BDADLO OCC[N@H+](Cc1nc(C(F)F)no1)C1CCC1 ZINC000425441574 191857282 /nfs/dbraw/zinc/85/72/82/191857282.db2.gz IJGVXMKURIFGHR-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO OCC[N@@H+](Cc1nc(C(F)F)no1)C1CCC1 ZINC000425441574 191857285 /nfs/dbraw/zinc/85/72/85/191857285.db2.gz IJGVXMKURIFGHR-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000336024887 134057038 /nfs/dbraw/zinc/05/70/38/134057038.db2.gz BWYGYGAUQDTRJN-MRVPVSSYSA-N 1 2 247.323 1.759 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000336024887 134057039 /nfs/dbraw/zinc/05/70/39/134057039.db2.gz BWYGYGAUQDTRJN-MRVPVSSYSA-N 1 2 247.323 1.759 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2csnn2)c1 ZINC000639365812 355838808 /nfs/dbraw/zinc/83/88/08/355838808.db2.gz RQXKDLCVVJGING-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO COC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH]nn1 ZINC000628363074 355846188 /nfs/dbraw/zinc/84/61/88/355846188.db2.gz TWZSTGOYLKBEPW-LBPRGKRZSA-N 1 2 246.314 1.152 20 0 BDADLO COC[C@H](Cc1ccccc1)[NH2+]Cc1cn[nH]n1 ZINC000628363074 355846191 /nfs/dbraw/zinc/84/61/91/355846191.db2.gz TWZSTGOYLKBEPW-LBPRGKRZSA-N 1 2 246.314 1.152 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H](CO)O1 ZINC000191783664 355849390 /nfs/dbraw/zinc/84/93/90/355849390.db2.gz UQQNNZZKLZOXOE-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H](CO)O1 ZINC000191783664 355849393 /nfs/dbraw/zinc/84/93/93/355849393.db2.gz UQQNNZZKLZOXOE-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)CC2)c(C)s1 ZINC000336028231 134057624 /nfs/dbraw/zinc/05/76/24/134057624.db2.gz SQMXRZCYMUDBHZ-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)CC2)c(C)s1 ZINC000336028231 134057625 /nfs/dbraw/zinc/05/76/25/134057625.db2.gz SQMXRZCYMUDBHZ-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000639369679 355856913 /nfs/dbraw/zinc/85/69/13/355856913.db2.gz AVTQMUOYTBZBEY-UHFFFAOYSA-N 1 2 217.276 1.052 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H](O)C1 ZINC000160301999 355868880 /nfs/dbraw/zinc/86/88/80/355868880.db2.gz IHBBJQDHXYZDTB-SECBINFHSA-N 1 2 208.261 1.051 20 0 BDADLO C[C@H](Cn1cccn1)Nc1c[nH+]cc(N(C)C)c1 ZINC000639364007 355831782 /nfs/dbraw/zinc/83/17/82/355831782.db2.gz FXSDBLUUZNDYOD-LLVKDONJSA-N 1 2 245.330 1.845 20 0 BDADLO CC(C)OC(=O)N1CCn2cc[nH+]c2C1 ZINC000127341455 324761003 /nfs/dbraw/zinc/76/10/03/324761003.db2.gz DJGXWUSRDVXASJ-UHFFFAOYSA-N 1 2 209.249 1.244 20 0 BDADLO CCn1nc(C[NH2+]C2(C)COC2)c2ccccc21 ZINC000639381507 355918398 /nfs/dbraw/zinc/91/83/98/355918398.db2.gz WQUULVWDGSXIDF-UHFFFAOYSA-N 1 2 245.326 1.935 20 0 BDADLO Cc1nc(C[N@@H+]2CCc3n[nH]cc3C2)[nH]c1C ZINC000628370960 355884205 /nfs/dbraw/zinc/88/42/05/355884205.db2.gz YPCMOSGXRLOLOQ-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO Cc1nc(C[N@H+]2CCc3n[nH]cc3C2)[nH]c1C ZINC000628370960 355884208 /nfs/dbraw/zinc/88/42/08/355884208.db2.gz YPCMOSGXRLOLOQ-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO Cc1[nH]c(CN2CCc3n[nH]cc3C2)[nH+]c1C ZINC000628370960 355884211 /nfs/dbraw/zinc/88/42/11/355884211.db2.gz YPCMOSGXRLOLOQ-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000336049927 134064486 /nfs/dbraw/zinc/06/44/86/134064486.db2.gz CZXJQKVLCTYFHK-VXGBXAGGSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608747246 355969359 /nfs/dbraw/zinc/96/93/59/355969359.db2.gz BXGWBFURJZIWON-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608747246 355969361 /nfs/dbraw/zinc/96/93/61/355969361.db2.gz BXGWBFURJZIWON-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO CCc1cc(N[C@@H](C)CCCO)nc[nH+]1 ZINC000087360637 491086466 /nfs/dbraw/zinc/08/64/66/491086466.db2.gz MHWCWGNNAOSAAV-VIFPVBQESA-N 1 2 209.293 1.612 20 0 BDADLO COc1coc(C[N@H+](C)Cc2ccoc2)cc1=O ZINC000351636531 356039174 /nfs/dbraw/zinc/03/91/74/356039174.db2.gz AOJVNBPOJFAWQR-UHFFFAOYSA-N 1 2 249.266 1.873 20 0 BDADLO COc1coc(C[N@@H+](C)Cc2ccoc2)cc1=O ZINC000351636531 356039181 /nfs/dbraw/zinc/03/91/81/356039181.db2.gz AOJVNBPOJFAWQR-UHFFFAOYSA-N 1 2 249.266 1.873 20 0 BDADLO CC(C)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258079 356052657 /nfs/dbraw/zinc/05/26/57/356052657.db2.gz HEKOUYZGHIXAML-SNVBAGLBSA-N 1 2 233.315 1.360 20 0 BDADLO CC[N@H+](CCCO)[C@@H](C)c1noc(C)n1 ZINC000351523353 356008365 /nfs/dbraw/zinc/00/83/65/356008365.db2.gz NVNUUKWSMROZGI-QMMMGPOBSA-N 1 2 213.281 1.143 20 0 BDADLO CC[N@@H+](CCCO)[C@@H](C)c1noc(C)n1 ZINC000351523353 356008367 /nfs/dbraw/zinc/00/83/67/356008367.db2.gz NVNUUKWSMROZGI-QMMMGPOBSA-N 1 2 213.281 1.143 20 0 BDADLO CCc1cc(NC[C@H](CC)CCO)nc[nH+]1 ZINC000087370934 491086766 /nfs/dbraw/zinc/08/67/66/491086766.db2.gz NAFFAGAZMUKNDT-SNVBAGLBSA-N 1 2 223.320 1.860 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cn1 ZINC000351872521 356106138 /nfs/dbraw/zinc/10/61/38/356106138.db2.gz DHFZYYKMWBILCK-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cn1 ZINC000351872521 356106141 /nfs/dbraw/zinc/10/61/41/356106141.db2.gz DHFZYYKMWBILCK-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO C[C@H]1C[N@H+](Cc2cocn2)CC2(CCC2)O1 ZINC000584351892 356081392 /nfs/dbraw/zinc/08/13/92/356081392.db2.gz UIZHUOWTFYZCHY-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cocn2)CC2(CCC2)O1 ZINC000584351892 356081395 /nfs/dbraw/zinc/08/13/95/356081395.db2.gz UIZHUOWTFYZCHY-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000351824656 356092010 /nfs/dbraw/zinc/09/20/10/356092010.db2.gz RSIFLCWVAGHHCH-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000351824656 356092013 /nfs/dbraw/zinc/09/20/13/356092013.db2.gz RSIFLCWVAGHHCH-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261491 356152262 /nfs/dbraw/zinc/15/22/62/356152262.db2.gz UJBONAHOQFKCHQ-FGUAACIASA-N 1 2 231.299 1.446 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262224 356162495 /nfs/dbraw/zinc/16/24/95/356162495.db2.gz TTYRWAGVQGOTMO-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261242 356143897 /nfs/dbraw/zinc/14/38/97/356143897.db2.gz HVNIVQDSHLGGEO-ADEWGFFLSA-N 1 2 233.315 1.216 20 0 BDADLO C[C@H](CC(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261396 356150679 /nfs/dbraw/zinc/15/06/79/356150679.db2.gz PLBGCJXDJSVQJI-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO Cn1cccc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335914795 356152157 /nfs/dbraw/zinc/15/21/57/356152157.db2.gz NYMIEFRDAIXVIJ-JTQLQIEISA-N 1 2 244.298 1.726 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC12CCC2 ZINC000623264506 356236012 /nfs/dbraw/zinc/23/60/12/356236012.db2.gz NEPINBKZQKXYOH-GXSJLCMTSA-N 1 2 231.299 1.114 20 0 BDADLO CCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623264155 356228973 /nfs/dbraw/zinc/22/89/73/356228973.db2.gz HGANYJZWQAELKC-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264959 356230859 /nfs/dbraw/zinc/23/08/59/356230859.db2.gz XUQDHAKUNPHJCP-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C(C1CC1)C1CC1 ZINC000623263461 356201462 /nfs/dbraw/zinc/20/14/62/356201462.db2.gz NMFIYAGFOAVQJI-LLVKDONJSA-N 1 2 245.326 1.360 20 0 BDADLO CC[C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000617640027 356250023 /nfs/dbraw/zinc/25/00/23/356250023.db2.gz RKDLHIDVPJDNEJ-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000617640027 356250026 /nfs/dbraw/zinc/25/00/26/356250026.db2.gz RKDLHIDVPJDNEJ-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000639468635 356254424 /nfs/dbraw/zinc/25/44/24/356254424.db2.gz FSRCRXAKJHJZMW-CYBMUJFWSA-N 1 2 246.310 1.139 20 0 BDADLO CC(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000639468635 356254427 /nfs/dbraw/zinc/25/44/27/356254427.db2.gz FSRCRXAKJHJZMW-CYBMUJFWSA-N 1 2 246.310 1.139 20 0 BDADLO NC(=O)N[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000270646219 181261934 /nfs/dbraw/zinc/26/19/34/181261934.db2.gz NZLAKTBHTGPTIA-NFNQMPKISA-N 1 2 238.118 1.048 20 0 BDADLO NC(=O)N[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000270646219 181261936 /nfs/dbraw/zinc/26/19/36/181261936.db2.gz NZLAKTBHTGPTIA-NFNQMPKISA-N 1 2 238.118 1.048 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(CC2CC2)no1 ZINC000639458675 356245786 /nfs/dbraw/zinc/24/57/86/356245786.db2.gz BFYNWWMLIKLJLX-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(CC2CC2)no1 ZINC000639458675 356245790 /nfs/dbraw/zinc/24/57/90/356245790.db2.gz BFYNWWMLIKLJLX-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639497603 356325667 /nfs/dbraw/zinc/32/56/67/356325667.db2.gz LHEUOFORRJVILG-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639497603 356325670 /nfs/dbraw/zinc/32/56/70/356325670.db2.gz LHEUOFORRJVILG-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H]1CC(C)(C)CO1 ZINC000639494574 356319657 /nfs/dbraw/zinc/31/96/57/356319657.db2.gz IZIAXBXKDSNIOZ-NSHDSACASA-N 1 2 224.304 1.922 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H]1CC(C)(C)CO1 ZINC000639494574 356319661 /nfs/dbraw/zinc/31/96/61/356319661.db2.gz IZIAXBXKDSNIOZ-NSHDSACASA-N 1 2 224.304 1.922 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@H]1CCc2ncnn21 ZINC000639507245 356335049 /nfs/dbraw/zinc/33/50/49/356335049.db2.gz KKXQHXDVNKDUGZ-SECBINFHSA-N 1 2 249.343 1.354 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@H]1CCc2ncnn21 ZINC000639507245 356335050 /nfs/dbraw/zinc/33/50/50/356335050.db2.gz KKXQHXDVNKDUGZ-SECBINFHSA-N 1 2 249.343 1.354 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)c1cccs1 ZINC000336133080 134094994 /nfs/dbraw/zinc/09/49/94/134094994.db2.gz IUDLFCGPQXMSDW-AWEZNQCLSA-N 1 2 226.326 1.789 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCCOC2)s1 ZINC000352186133 134099359 /nfs/dbraw/zinc/09/93/59/134099359.db2.gz JGCHAWYPGXIFMZ-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCCOC2)s1 ZINC000352186133 134099360 /nfs/dbraw/zinc/09/93/60/134099360.db2.gz JGCHAWYPGXIFMZ-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CCC(F)(F)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000639546978 356411113 /nfs/dbraw/zinc/41/11/13/356411113.db2.gz OAMOGFLTNZRRGK-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO CCC(F)(F)CN(C)Cc1[nH+]ccn1C ZINC000639548203 356411774 /nfs/dbraw/zinc/41/17/74/356411774.db2.gz DVZSWYZYXOIHEN-UHFFFAOYSA-N 1 2 217.263 1.897 20 0 BDADLO CC1=CCC[N@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000336145257 134101874 /nfs/dbraw/zinc/10/18/74/134101874.db2.gz RNGACCNDABAOSC-UHFFFAOYSA-N 1 2 218.304 1.834 20 0 BDADLO CC1=CCC[N@@H+](Cc2nnc(C3CC3)[nH]2)C1 ZINC000336145257 134101875 /nfs/dbraw/zinc/10/18/75/134101875.db2.gz RNGACCNDABAOSC-UHFFFAOYSA-N 1 2 218.304 1.834 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC=CCC1 ZINC000623279265 356427560 /nfs/dbraw/zinc/42/75/60/356427560.db2.gz RCXWMKCFTSHSHJ-MNOVXSKESA-N 1 2 231.299 1.280 20 0 BDADLO COC1CC([N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000352203913 134103628 /nfs/dbraw/zinc/10/36/28/134103628.db2.gz VUFGIPXIDQTFKX-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO COC1CC([N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000352203913 134103629 /nfs/dbraw/zinc/10/36/29/134103629.db2.gz VUFGIPXIDQTFKX-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO O=C(Cc1ccsc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623281934 356465127 /nfs/dbraw/zinc/46/51/27/356465127.db2.gz HSSDHDSRFGXCGY-JTQLQIEISA-N 1 2 247.323 1.228 20 0 BDADLO CC(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000639553193 356453432 /nfs/dbraw/zinc/45/34/32/356453432.db2.gz DBUOVPBWXSRWKQ-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO CC(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000639553193 356453435 /nfs/dbraw/zinc/45/34/35/356453435.db2.gz DBUOVPBWXSRWKQ-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO C[C@H](CNC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000623280666 356454079 /nfs/dbraw/zinc/45/40/79/356454079.db2.gz VZDOHQASXMYJIP-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@@H]1C[N@H+](CC(F)(F)CC)C[C@@H]1O ZINC000639556679 356460223 /nfs/dbraw/zinc/46/02/23/356460223.db2.gz XLVGCYKZSGQSSS-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(F)(F)CC)C[C@@H]1O ZINC000639556679 356460225 /nfs/dbraw/zinc/46/02/25/356460225.db2.gz XLVGCYKZSGQSSS-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@]23CCOC3)[nH+]1 ZINC000420633217 192252413 /nfs/dbraw/zinc/25/24/13/192252413.db2.gz BMAFIHRBZACUQD-ZDUSSCGKSA-N 1 2 244.298 1.636 20 0 BDADLO CSC1(C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000190434633 356441475 /nfs/dbraw/zinc/44/14/75/356441475.db2.gz OSMNAAUSRSMDFA-UHFFFAOYSA-N 1 2 240.372 1.189 20 0 BDADLO CC(C)C[NH2+]Cc1[nH]ncc1Br ZINC000379323399 356445145 /nfs/dbraw/zinc/44/51/45/356445145.db2.gz PTMRHIHKHPEOSQ-UHFFFAOYSA-N 1 2 232.125 1.918 20 0 BDADLO CNC(=O)[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000420618065 192249705 /nfs/dbraw/zinc/24/97/05/192249705.db2.gz LNWXTVUCNSUJES-SNVBAGLBSA-N 1 2 248.330 1.172 20 0 BDADLO c1cc(N2CC[C@@]23CCOC3)nc(C2CC2)[nH+]1 ZINC000420633911 192252500 /nfs/dbraw/zinc/25/25/00/192252500.db2.gz CNIBOYNOLFNQEQ-ZDUSSCGKSA-N 1 2 231.299 1.723 20 0 BDADLO Cc1cc(NCCCC2(O)CCC2)nc[nH+]1 ZINC000420640692 192254687 /nfs/dbraw/zinc/25/46/87/192254687.db2.gz RJIMOJHNLFSBMM-UHFFFAOYSA-N 1 2 221.304 1.314 20 0 BDADLO COCCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000623284824 356477205 /nfs/dbraw/zinc/47/72/05/356477205.db2.gz ZGNGSDNROUQIHW-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO Cc1cc(CNC(=O)NCC2CC2)cc(C)[nH+]1 ZINC000420763168 192258961 /nfs/dbraw/zinc/25/89/61/192258961.db2.gz NHNMWAPWVXXJKE-UHFFFAOYSA-N 1 2 233.315 1.908 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1CC=CCC1 ZINC000193027651 356494185 /nfs/dbraw/zinc/49/41/85/356494185.db2.gz ANAZSSLCKHXNQY-SNVBAGLBSA-N 1 2 219.275 1.902 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1CC=CCC1 ZINC000193027651 356494186 /nfs/dbraw/zinc/49/41/86/356494186.db2.gz ANAZSSLCKHXNQY-SNVBAGLBSA-N 1 2 219.275 1.902 20 0 BDADLO CC(=O)C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000639576716 356498243 /nfs/dbraw/zinc/49/82/43/356498243.db2.gz WUJKIUNCBFPRQE-UHFFFAOYSA-N 1 2 248.326 1.822 20 0 BDADLO Cc1cc(CNC(=O)NCCF)cc(C)[nH+]1 ZINC000420873429 192265512 /nfs/dbraw/zinc/26/55/12/192265512.db2.gz XNNGPJYCTCSYQP-UHFFFAOYSA-N 1 2 225.267 1.467 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CC2CC2)n1 ZINC000420909866 192269890 /nfs/dbraw/zinc/26/98/90/192269890.db2.gz ZNOGNXYHQLCYBI-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CC2CC2)n1 ZINC000420909866 192269891 /nfs/dbraw/zinc/26/98/91/192269891.db2.gz ZNOGNXYHQLCYBI-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO CC[C@@H]1C[NH+](Cc2ccnn2C)C[C@@H](CC)O1 ZINC000420964259 192282869 /nfs/dbraw/zinc/28/28/69/192282869.db2.gz WMTKRBUNUMAVRZ-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO CC(=O)C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000639614609 356532914 /nfs/dbraw/zinc/53/29/14/356532914.db2.gz FHCPCZPOVNVJAI-UHFFFAOYSA-N 1 2 248.326 1.822 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000639617041 356533510 /nfs/dbraw/zinc/53/35/10/356533510.db2.gz IEJNLTIIGNDYBA-UWVGGRQHSA-N 1 2 237.290 1.815 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000639624731 356537676 /nfs/dbraw/zinc/53/76/76/356537676.db2.gz JIKWXNMVCICTOO-SFYZADRCSA-N 1 2 220.263 1.146 20 0 BDADLO COC(C)(C)c1noc(Cc2c[nH+]cn2C)n1 ZINC000350466009 366282466 /nfs/dbraw/zinc/28/24/66/366282466.db2.gz NAWKSKWTHNWXFC-UHFFFAOYSA-N 1 2 236.275 1.275 20 0 BDADLO Fc1cnccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421019601 192303554 /nfs/dbraw/zinc/30/35/54/192303554.db2.gz MOFYHSDBMQWHNK-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cnccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421019601 192303556 /nfs/dbraw/zinc/30/35/56/192303556.db2.gz MOFYHSDBMQWHNK-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO O=S1CC[NH+](CC2=CCCCC2)CC1 ZINC000336194648 134125121 /nfs/dbraw/zinc/12/51/21/134125121.db2.gz WGGGJUXVWXJUCM-UHFFFAOYSA-N 1 2 213.346 1.551 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccoc1 ZINC000623298808 356555468 /nfs/dbraw/zinc/55/54/68/356555468.db2.gz KHZIYCUPLVGKHI-SNVBAGLBSA-N 1 2 231.255 1.221 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000639649073 356560722 /nfs/dbraw/zinc/56/07/22/356560722.db2.gz NUKSLRJTCHVMQK-JTQLQIEISA-N 1 2 227.695 1.372 20 0 BDADLO CC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000639649073 356560727 /nfs/dbraw/zinc/56/07/27/356560727.db2.gz NUKSLRJTCHVMQK-JTQLQIEISA-N 1 2 227.695 1.372 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421041775 192310818 /nfs/dbraw/zinc/31/08/18/192310818.db2.gz YRDRDFFQULCNDD-DGCLKSJQSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421041775 192310820 /nfs/dbraw/zinc/31/08/20/192310820.db2.gz YRDRDFFQULCNDD-DGCLKSJQSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccn2)[C@H]1C ZINC000639656674 356572772 /nfs/dbraw/zinc/57/27/72/356572772.db2.gz RVRLUFNMBUKHMY-UWVGGRQHSA-N 1 2 219.288 1.360 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccn2)[C@H]1C ZINC000639656674 356572774 /nfs/dbraw/zinc/57/27/74/356572774.db2.gz RVRLUFNMBUKHMY-UWVGGRQHSA-N 1 2 219.288 1.360 20 0 BDADLO O=C(CC(F)(F)F)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302085 356578614 /nfs/dbraw/zinc/57/86/14/356578614.db2.gz ZOYDWGMEPPTEOS-ZETCQYMHSA-N 1 2 247.220 1.267 20 0 BDADLO CCc1cc(NC[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000226528654 491097627 /nfs/dbraw/zinc/09/76/27/491097627.db2.gz UFUDBQWZHJFIHC-SSDOTTSWSA-N 1 2 235.209 1.374 20 0 BDADLO C[C@H](O)[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857760 202082842 /nfs/dbraw/zinc/08/28/42/202082842.db2.gz FVMXJLKRQIKBPI-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857760 202082845 /nfs/dbraw/zinc/08/28/45/202082845.db2.gz FVMXJLKRQIKBPI-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857593 202082977 /nfs/dbraw/zinc/08/29/77/202082977.db2.gz FVMXJLKRQIKBPI-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857593 202082981 /nfs/dbraw/zinc/08/29/81/202082981.db2.gz FVMXJLKRQIKBPI-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H](C[N@H+](C)Cc1ccco1)S(C)(=O)=O ZINC000450220939 202100628 /nfs/dbraw/zinc/10/06/28/202100628.db2.gz MULMCOPTGCKKQR-SECBINFHSA-N 1 2 231.317 1.145 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1ccco1)S(C)(=O)=O ZINC000450220939 202100630 /nfs/dbraw/zinc/10/06/30/202100630.db2.gz MULMCOPTGCKKQR-SECBINFHSA-N 1 2 231.317 1.145 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1csnn1 ZINC000450288380 202120907 /nfs/dbraw/zinc/12/09/07/202120907.db2.gz TYXFMHJWIWNRLG-QMMMGPOBSA-N 1 2 215.322 1.567 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1csnn1 ZINC000450288380 202120910 /nfs/dbraw/zinc/12/09/10/202120910.db2.gz TYXFMHJWIWNRLG-QMMMGPOBSA-N 1 2 215.322 1.567 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CCF)C1 ZINC000618689194 356651919 /nfs/dbraw/zinc/65/19/19/356651919.db2.gz GBSPGEVRDDEQKV-NSHDSACASA-N 1 2 239.294 1.481 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399394576 356657768 /nfs/dbraw/zinc/65/77/68/356657768.db2.gz UOLNACQMRWUFMV-JQWIXIFHSA-N 1 2 231.299 1.663 20 0 BDADLO CNc1nc(N[C@H]2C[C@H]2C)[nH+]c2ccccc21 ZINC000450307142 202125096 /nfs/dbraw/zinc/12/50/96/202125096.db2.gz FTELQGMPIIITIT-KCJUWKMLSA-N 1 2 228.299 1.914 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC000450348087 202138806 /nfs/dbraw/zinc/13/88/06/202138806.db2.gz KYGFQSXTQFRDQU-IUCAKERBSA-N 1 2 227.333 1.710 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC000450348087 202138810 /nfs/dbraw/zinc/13/88/10/202138810.db2.gz KYGFQSXTQFRDQU-IUCAKERBSA-N 1 2 227.333 1.710 20 0 BDADLO NC(=O)c1cc(C[NH2+]Cc2ccsc2)on1 ZINC000336700136 181288472 /nfs/dbraw/zinc/28/84/72/181288472.db2.gz NHMKZARLJYBDPI-UHFFFAOYSA-N 1 2 237.284 1.125 20 0 BDADLO C[C@@H](NCc1[nH+]ccn1C)C(C)(F)F ZINC000389470826 356684118 /nfs/dbraw/zinc/68/41/18/356684118.db2.gz QOKAZUAJDMHTDG-SSDOTTSWSA-N 1 2 203.236 1.553 20 0 BDADLO Cc1c(C[NH2+][C@@H](C)C(C)(F)F)cnn1C ZINC000389471970 356684185 /nfs/dbraw/zinc/68/41/85/356684185.db2.gz SKXGKOVZGZVBLD-QMMMGPOBSA-N 1 2 217.263 1.862 20 0 BDADLO c1nn[nH]c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000450421486 202159681 /nfs/dbraw/zinc/15/96/81/202159681.db2.gz FBDLOLBZYKVZTD-UHFFFAOYSA-N 1 2 249.362 1.255 20 0 BDADLO c1nn[nH]c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000450421486 202159683 /nfs/dbraw/zinc/15/96/83/202159683.db2.gz FBDLOLBZYKVZTD-UHFFFAOYSA-N 1 2 249.362 1.255 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000054172474 363563465 /nfs/dbraw/zinc/56/34/65/363563465.db2.gz AKGCBGRHWDHYOS-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172474 363563458 /nfs/dbraw/zinc/56/34/58/363563458.db2.gz AKGCBGRHWDHYOS-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)s1 ZINC000639776002 356717324 /nfs/dbraw/zinc/71/73/24/356717324.db2.gz IQHZJRFZSLVIHM-JTQLQIEISA-N 1 2 249.343 1.907 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C(C)C)s1 ZINC000450454507 202169237 /nfs/dbraw/zinc/16/92/37/202169237.db2.gz LIUIMLIDBZJDHI-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C(C)C)s1 ZINC000450454507 202169239 /nfs/dbraw/zinc/16/92/39/202169239.db2.gz LIUIMLIDBZJDHI-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO c1cn(CCc2nc(-c3cocn3)no2)c[nH+]1 ZINC000350875261 366358649 /nfs/dbraw/zinc/35/86/49/366358649.db2.gz FGDGEKUKILSQGD-UHFFFAOYSA-N 1 2 231.215 1.164 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)s1 ZINC000639776002 356717321 /nfs/dbraw/zinc/71/73/21/356717321.db2.gz IQHZJRFZSLVIHM-JTQLQIEISA-N 1 2 249.343 1.907 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1ccccc1 ZINC000041594714 358512414 /nfs/dbraw/zinc/51/24/14/358512414.db2.gz MUODKHXTGJPMEK-UHFFFAOYSA-N 1 2 230.271 1.742 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)on1 ZINC000054343891 363567686 /nfs/dbraw/zinc/56/76/86/363567686.db2.gz AZWNCVQOEFNBQR-RYUDHWBXSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)on1 ZINC000054343891 363567691 /nfs/dbraw/zinc/56/76/91/363567691.db2.gz AZWNCVQOEFNBQR-RYUDHWBXSA-N 1 2 222.288 1.736 20 0 BDADLO CC[NH+](CC)Cc1nc(C2(OC)CCC2)no1 ZINC000350182663 538631270 /nfs/dbraw/zinc/63/12/70/538631270.db2.gz MTTHUCPTYWVHMQ-UHFFFAOYSA-N 1 2 239.319 1.937 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000355885569 356780059 /nfs/dbraw/zinc/78/00/59/356780059.db2.gz YJZQYUFJTAFUOU-SSDOTTSWSA-N 1 2 224.226 1.149 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000355885569 356780060 /nfs/dbraw/zinc/78/00/60/356780060.db2.gz YJZQYUFJTAFUOU-SSDOTTSWSA-N 1 2 224.226 1.149 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)C(=O)[C@H](C)C2)[nH+]c1C ZINC000639802232 356766176 /nfs/dbraw/zinc/76/61/76/356766176.db2.gz VKNWZTLBGFAIQQ-RKDXNWHRSA-N 1 2 235.331 1.683 20 0 BDADLO CCCCO[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114124316 356769144 /nfs/dbraw/zinc/76/91/44/356769144.db2.gz MQLFERLOPADVCU-SECBINFHSA-N 1 2 225.292 1.231 20 0 BDADLO Oc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1 ZINC000350582148 538678461 /nfs/dbraw/zinc/67/84/61/538678461.db2.gz MJLILNNWGJYIRE-UHFFFAOYSA-N 1 2 242.238 1.687 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1ccncc1C)C(C)C ZINC000384893415 356792900 /nfs/dbraw/zinc/79/29/00/356792900.db2.gz YZGBCYJRVAFGDI-LBPRGKRZSA-N 1 2 236.315 1.677 20 0 BDADLO COc1ccc2c(c1)CC[N@@H+](CC(C)=O)C2 ZINC000639828282 356812428 /nfs/dbraw/zinc/81/24/28/356812428.db2.gz MWFIIOQZTIHNGT-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO COc1ccc2c(c1)CC[N@H+](CC(C)=O)C2 ZINC000639828282 356812430 /nfs/dbraw/zinc/81/24/30/356812430.db2.gz MWFIIOQZTIHNGT-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000639831730 356815424 /nfs/dbraw/zinc/81/54/24/356815424.db2.gz WZDPTPAKCMZHOB-LBPRGKRZSA-N 1 2 225.263 1.630 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000639831730 356815428 /nfs/dbraw/zinc/81/54/28/356815428.db2.gz WZDPTPAKCMZHOB-LBPRGKRZSA-N 1 2 225.263 1.630 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000639831729 356815685 /nfs/dbraw/zinc/81/56/85/356815685.db2.gz WZDPTPAKCMZHOB-GFCCVEGCSA-N 1 2 225.263 1.630 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000639831729 356815688 /nfs/dbraw/zinc/81/56/88/356815688.db2.gz WZDPTPAKCMZHOB-GFCCVEGCSA-N 1 2 225.263 1.630 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)C[C@@H]1CCCO1 ZINC000358491679 356869497 /nfs/dbraw/zinc/86/94/97/356869497.db2.gz OPYOIKMPWIFXRG-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)C[C@@H]1CCCO1 ZINC000358491679 356869498 /nfs/dbraw/zinc/86/94/98/356869498.db2.gz OPYOIKMPWIFXRG-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OC ZINC000385128148 356905744 /nfs/dbraw/zinc/90/57/44/356905744.db2.gz KVKDCPXTLJNNFC-QCLAVDOMSA-N 1 2 215.293 1.094 20 0 BDADLO CC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(F)F ZINC000450569873 202201369 /nfs/dbraw/zinc/20/13/69/202201369.db2.gz VYDYEKOKRICBDN-ZETCQYMHSA-N 1 2 245.277 1.124 20 0 BDADLO CC[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)C(F)F ZINC000450569873 202201373 /nfs/dbraw/zinc/20/13/73/202201373.db2.gz VYDYEKOKRICBDN-ZETCQYMHSA-N 1 2 245.277 1.124 20 0 BDADLO CCc1nc(C[N@H+](CC)C[C@H](C)OC)no1 ZINC000361574122 356933023 /nfs/dbraw/zinc/93/30/23/356933023.db2.gz SGMROXIKYJDZPT-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nc(C[N@@H+](CC)C[C@H](C)OC)no1 ZINC000361574122 356933028 /nfs/dbraw/zinc/93/30/28/356933028.db2.gz SGMROXIKYJDZPT-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO c1c(C[N@@H+]2C[C@@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450577451 202203398 /nfs/dbraw/zinc/20/33/98/202203398.db2.gz DOPGSAYKTZFJKC-WCQYABFASA-N 1 2 232.331 1.672 20 0 BDADLO c1c(C[N@H+]2C[C@@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450577451 202203402 /nfs/dbraw/zinc/20/34/02/202203402.db2.gz DOPGSAYKTZFJKC-WCQYABFASA-N 1 2 232.331 1.672 20 0 BDADLO Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)C ZINC000054375404 363570848 /nfs/dbraw/zinc/57/08/48/363570848.db2.gz UNXDZIBQQQUKOL-UHFFFAOYSA-N 1 2 246.314 1.616 20 0 BDADLO CC1(C)C[N@H+](CC2N=NC(=O)S2)CCCO1 ZINC000367464542 356955256 /nfs/dbraw/zinc/95/52/56/356955256.db2.gz UIMFYSWTRIZGGZ-UHFFFAOYSA-N 1 2 243.332 1.245 20 0 BDADLO CC1(C)C[N@@H+](CC2N=NC(=O)S2)CCCO1 ZINC000367464542 356955261 /nfs/dbraw/zinc/95/52/61/356955261.db2.gz UIMFYSWTRIZGGZ-UHFFFAOYSA-N 1 2 243.332 1.245 20 0 BDADLO Cc1c(F)cccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000399720088 357028033 /nfs/dbraw/zinc/02/80/33/357028033.db2.gz PJYNQNRTFANLIW-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000353770292 538767487 /nfs/dbraw/zinc/76/74/87/538767487.db2.gz UBJHUMSWPSSIEL-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000353770292 538767495 /nfs/dbraw/zinc/76/74/95/538767495.db2.gz UBJHUMSWPSSIEL-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000119082001 357006855 /nfs/dbraw/zinc/00/68/55/357006855.db2.gz UGXQPQMHEZWCHG-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@@H](CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582364460 357111729 /nfs/dbraw/zinc/11/17/29/357111729.db2.gz HYNHXZZWIQPRIR-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO COC[C@H]([NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000390596912 357112157 /nfs/dbraw/zinc/11/21/57/357112157.db2.gz ANSVEOFNBCLHIZ-LBPRGKRZSA-N 1 2 223.320 1.705 20 0 BDADLO Nc1ccc(F)c(NC(=O)CCn2cc[nH+]c2)c1 ZINC000022167491 357062284 /nfs/dbraw/zinc/06/22/84/357062284.db2.gz QVTADYUXTJBTIC-UHFFFAOYSA-N 1 2 248.261 1.633 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000543748359 325108748 /nfs/dbraw/zinc/10/87/48/325108748.db2.gz HLSSVTPWPHGNTL-QWRGUYRKSA-N 1 2 223.320 1.311 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000582334595 357069436 /nfs/dbraw/zinc/06/94/36/357069436.db2.gz LODNOIRLXHWSLK-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)c1ncn(C)n1 ZINC000392050984 357138105 /nfs/dbraw/zinc/13/81/05/357138105.db2.gz PCVIWPYXUJOMAF-MRVPVSSYSA-N 1 2 233.275 1.392 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000582428179 357146279 /nfs/dbraw/zinc/14/62/79/357146279.db2.gz CQHYPVJARLATTG-JOYOIKCWSA-N 1 2 238.310 1.774 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000582428179 357146284 /nfs/dbraw/zinc/14/62/84/357146284.db2.gz CQHYPVJARLATTG-JOYOIKCWSA-N 1 2 238.310 1.774 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)CC[C@@H]1O ZINC000303872752 357151017 /nfs/dbraw/zinc/15/10/17/357151017.db2.gz QEFDJJHCZPIMMP-JTQLQIEISA-N 1 2 221.304 1.069 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@@H]1O ZINC000303872752 357151019 /nfs/dbraw/zinc/15/10/19/357151019.db2.gz QEFDJJHCZPIMMP-JTQLQIEISA-N 1 2 221.304 1.069 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)no1 ZINC000303992366 357155302 /nfs/dbraw/zinc/15/53/02/357155302.db2.gz MTOQVIMLWBGHBM-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)no1 ZINC000303992366 357155303 /nfs/dbraw/zinc/15/53/03/357155303.db2.gz MTOQVIMLWBGHBM-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356149055 538805765 /nfs/dbraw/zinc/80/57/65/538805765.db2.gz UPWCURDNBRVGRX-SSDOTTSWSA-N 1 2 249.236 1.799 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356149055 538805773 /nfs/dbraw/zinc/80/57/73/538805773.db2.gz UPWCURDNBRVGRX-SSDOTTSWSA-N 1 2 249.236 1.799 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000583687854 357120213 /nfs/dbraw/zinc/12/02/13/357120213.db2.gz FXAQKTXGUJNVBX-SECBINFHSA-N 1 2 225.317 1.011 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2cc[nH]n2)cc1O ZINC000582390068 357123618 /nfs/dbraw/zinc/12/36/18/357123618.db2.gz QFTVJMITWUEKKC-SECBINFHSA-N 1 2 247.298 1.975 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccnc(C)c1 ZINC000391216325 357127319 /nfs/dbraw/zinc/12/73/19/357127319.db2.gz VYLDQWZCFMAYEN-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C(F)(F)F ZINC000356421899 538810605 /nfs/dbraw/zinc/81/06/05/538810605.db2.gz PPBFZXBWQCYRIA-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(F)(F)F ZINC000356421899 538810613 /nfs/dbraw/zinc/81/06/13/538810613.db2.gz PPBFZXBWQCYRIA-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO CCCCc1cc(N[C@@H](CO)COC)nc[nH+]1 ZINC000631256637 357187614 /nfs/dbraw/zinc/18/76/14/357187614.db2.gz QTNAMLNVDZFBFE-NSHDSACASA-N 1 2 239.319 1.238 20 0 BDADLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(F)F ZINC000050052373 357281465 /nfs/dbraw/zinc/28/14/65/357281465.db2.gz DDYDFZJQKGNNND-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO COC(=O)C[C@H]1CCCC[N@H+]1CC(F)F ZINC000050052373 357281469 /nfs/dbraw/zinc/28/14/69/357281469.db2.gz DDYDFZJQKGNNND-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCc1ccccn1 ZINC000050051261 357281626 /nfs/dbraw/zinc/28/16/26/357281626.db2.gz MRNILUXPGPNIIH-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCc1ccccn1 ZINC000050051261 357281631 /nfs/dbraw/zinc/28/16/31/357281631.db2.gz MRNILUXPGPNIIH-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO Cc1nc(CCNc2nc(C)[nH+]cc2C)c(C)o1 ZINC000583703831 357283500 /nfs/dbraw/zinc/28/35/00/357283500.db2.gz LHAMGSAPXDHVQP-UHFFFAOYSA-N 1 2 246.314 1.775 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)on1 ZINC000393294244 357280793 /nfs/dbraw/zinc/28/07/93/357280793.db2.gz BRUQZTJKCNNQKA-KOLCDFICSA-N 1 2 232.287 1.975 20 0 BDADLO CCCc1noc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000583701580 357312120 /nfs/dbraw/zinc/31/21/20/357312120.db2.gz TXEBOXBYXGHBTE-BDAKNGLRSA-N 1 2 239.319 1.271 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582519465 357324542 /nfs/dbraw/zinc/32/45/42/357324542.db2.gz MMFRBTAFCRHCIW-BBBLOLIVSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000582519465 357324543 /nfs/dbraw/zinc/32/45/43/357324543.db2.gz MMFRBTAFCRHCIW-BBBLOLIVSA-N 1 2 248.330 1.365 20 0 BDADLO Cc1cc(NCc2cncn2C)nc(C(C)C)[nH+]1 ZINC000357578586 538830791 /nfs/dbraw/zinc/83/07/91/538830791.db2.gz HTWUHEMNXQGERD-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC1=CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582736548 357376849 /nfs/dbraw/zinc/37/68/49/357376849.db2.gz ZZPOPYZNWGWWET-NSHDSACASA-N 1 2 233.315 1.767 20 0 BDADLO CC1=CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582736548 357376851 /nfs/dbraw/zinc/37/68/51/357376851.db2.gz ZZPOPYZNWGWWET-NSHDSACASA-N 1 2 233.315 1.767 20 0 BDADLO CCOC(=O)C1(CNc2cc(C)[nH+]cn2)CCC1 ZINC000582635898 357355537 /nfs/dbraw/zinc/35/55/37/357355537.db2.gz IVRXAGLMKMWBQM-UHFFFAOYSA-N 1 2 249.314 1.352 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000582785315 357392442 /nfs/dbraw/zinc/39/24/42/357392442.db2.gz ARIVAJGGYZNUND-TUAOUCFPSA-N 1 2 243.347 1.731 20 0 BDADLO CC1(C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000073362008 357438765 /nfs/dbraw/zinc/43/87/65/357438765.db2.gz KJJVFCFMKJLIJD-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000582962269 357439730 /nfs/dbraw/zinc/43/97/30/357439730.db2.gz OFUZCDCZMGRTJI-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000582962269 357439734 /nfs/dbraw/zinc/43/97/34/357439734.db2.gz OFUZCDCZMGRTJI-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO C[NH2+][C@H](CC(C)(C)C)C(=O)N=c1cc(C)[nH][nH]1 ZINC000395748385 357455582 /nfs/dbraw/zinc/45/55/82/357455582.db2.gz NESCRMXOSBBDMO-SECBINFHSA-N 1 2 238.335 1.103 20 0 BDADLO CCCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CC1 ZINC000188883671 357595056 /nfs/dbraw/zinc/59/50/56/357595056.db2.gz FOQMPHYWAARXGH-UHFFFAOYSA-N 1 2 248.330 1.070 20 0 BDADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1 ZINC000189540170 357644093 /nfs/dbraw/zinc/64/40/93/357644093.db2.gz MJKMHLMUIKUXRV-QWHCGFSZSA-N 1 2 249.310 1.185 20 0 BDADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccccc1 ZINC000189540170 357644097 /nfs/dbraw/zinc/64/40/97/357644097.db2.gz MJKMHLMUIKUXRV-QWHCGFSZSA-N 1 2 249.310 1.185 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCOCC(F)F ZINC000232336010 357659724 /nfs/dbraw/zinc/65/97/24/357659724.db2.gz FASDYNDWLDRFDO-UHFFFAOYSA-N 1 2 247.245 1.040 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccccn1 ZINC000189922869 357676335 /nfs/dbraw/zinc/67/63/35/357676335.db2.gz XGAGZAGTJQSZHJ-BDAKNGLRSA-N 1 2 232.291 1.017 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nnnn2C)c(C)o1 ZINC000189942558 357677151 /nfs/dbraw/zinc/67/71/51/357677151.db2.gz PIVNKEKEPRUZMF-IUCAKERBSA-N 1 2 249.318 1.832 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497835 357710161 /nfs/dbraw/zinc/71/01/61/357710161.db2.gz VRGQAMGBTFWXEI-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497835 357710164 /nfs/dbraw/zinc/71/01/64/357710164.db2.gz VRGQAMGBTFWXEI-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@](C)(O)C2)[nH+]1 ZINC000583253642 357722567 /nfs/dbraw/zinc/72/25/67/357722567.db2.gz ICNCRCDBRFJMHI-LYWQIFSTSA-N 1 2 232.287 1.592 20 0 BDADLO CCN(C)c1ccc(CNc2cnn(C)c2)c[nH+]1 ZINC000190936399 357733749 /nfs/dbraw/zinc/73/37/49/357733749.db2.gz GCRBCIIEUKUCJE-UHFFFAOYSA-N 1 2 245.330 1.883 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CS[C@H](C)C1 ZINC000397865008 357756398 /nfs/dbraw/zinc/75/63/98/357756398.db2.gz QCRIUTWFKCEBRI-RNFRBKRXSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CS[C@H](C)C1 ZINC000397865008 357756400 /nfs/dbraw/zinc/75/64/00/357756400.db2.gz QCRIUTWFKCEBRI-RNFRBKRXSA-N 1 2 240.332 1.373 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000191959666 357806476 /nfs/dbraw/zinc/80/64/76/357806476.db2.gz QMGALRKAEOEBKR-WYUUTHIRSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@@H+]1CCC(C)(C)C ZINC000192057410 357816227 /nfs/dbraw/zinc/81/62/27/357816227.db2.gz YZMFUKFZPIRDAQ-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@H+]1CCC(C)(C)C ZINC000192057410 357816228 /nfs/dbraw/zinc/81/62/28/357816228.db2.gz YZMFUKFZPIRDAQ-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)ccn1 ZINC000234290753 357780381 /nfs/dbraw/zinc/78/03/81/357780381.db2.gz NJAMPYSCLKXVKA-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO COC(=O)[C@H](C)[N@H+](Cc1ccccn1)C1CCC1 ZINC000191651252 357781563 /nfs/dbraw/zinc/78/15/63/357781563.db2.gz CWTRLSZKWIHZHN-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](Cc1ccccn1)C1CCC1 ZINC000191651252 357781566 /nfs/dbraw/zinc/78/15/66/357781566.db2.gz CWTRLSZKWIHZHN-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO CCN(C)c1ccc(CNc2nc(C)no2)c[nH+]1 ZINC000191513692 357783358 /nfs/dbraw/zinc/78/33/58/357783358.db2.gz DAKXWVXEXRBLNL-UHFFFAOYSA-N 1 2 247.302 1.841 20 0 BDADLO CO[C@H]1C[C@@H]([NH2+]CC(=O)OC(C)(C)C)C1(C)C ZINC000234775026 357828251 /nfs/dbraw/zinc/82/82/51/357828251.db2.gz UDKKNWLESRFAAZ-ZJUUUORDSA-N 1 2 243.347 1.731 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926321 357845192 /nfs/dbraw/zinc/84/51/92/357845192.db2.gz WTDWCMUFYGBDTE-GFCCVEGCSA-N 1 2 236.315 1.751 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926321 357845198 /nfs/dbraw/zinc/84/51/98/357845198.db2.gz WTDWCMUFYGBDTE-GFCCVEGCSA-N 1 2 236.315 1.751 20 0 BDADLO C[C@@H](CO)CSCCCn1cc[nH+]c1 ZINC000085139587 134224428 /nfs/dbraw/zinc/22/44/28/134224428.db2.gz IDMYMGTWLLYVME-JTQLQIEISA-N 1 2 214.334 1.635 20 0 BDADLO CCn1ncnc1C[N@H+](CCOC)CC(C)C ZINC000193309493 357874359 /nfs/dbraw/zinc/87/43/59/357874359.db2.gz RLEXOJYRKKNREL-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO CCn1ncnc1C[N@@H+](CCOC)CC(C)C ZINC000193309493 357874361 /nfs/dbraw/zinc/87/43/61/357874361.db2.gz RLEXOJYRKKNREL-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCOC2(CCCC2)C1 ZINC000583726796 357910938 /nfs/dbraw/zinc/91/09/38/357910938.db2.gz GYZPUCHKGKNQAO-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cnn(C)c1C ZINC000584439115 357921617 /nfs/dbraw/zinc/92/16/17/357921617.db2.gz DWQUICQPGWBNKS-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000584439115 357921624 /nfs/dbraw/zinc/92/16/24/357921624.db2.gz DWQUICQPGWBNKS-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000583822515 357958164 /nfs/dbraw/zinc/95/81/64/357958164.db2.gz NZMXMOMXTJMOPK-GRYCIOLGSA-N 1 2 236.359 1.633 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000525922900 259474996 /nfs/dbraw/zinc/47/49/96/259474996.db2.gz YVQBBILMLCDPTE-GMTAPVOTSA-N 1 2 248.330 1.390 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000628457629 358016672 /nfs/dbraw/zinc/01/66/72/358016672.db2.gz GTMVTWMCNFRSRR-GFCCVEGCSA-N 1 2 226.295 1.586 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000628457629 358016674 /nfs/dbraw/zinc/01/66/74/358016674.db2.gz GTMVTWMCNFRSRR-GFCCVEGCSA-N 1 2 226.295 1.586 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000628457678 358016710 /nfs/dbraw/zinc/01/67/10/358016710.db2.gz JFHXCTDRDDHBLF-LLVKDONJSA-N 1 2 241.310 1.587 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](CCF)C1 ZINC000628457678 358016714 /nfs/dbraw/zinc/01/67/14/358016714.db2.gz JFHXCTDRDDHBLF-LLVKDONJSA-N 1 2 241.310 1.587 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1cn[nH]c1C)C1CCC1 ZINC000639971245 358021551 /nfs/dbraw/zinc/02/15/51/358021551.db2.gz CZIBUWMJYKONLC-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1cn[nH]c1C)C1CCC1 ZINC000639971245 358021556 /nfs/dbraw/zinc/02/15/56/358021556.db2.gz CZIBUWMJYKONLC-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000610619773 358025761 /nfs/dbraw/zinc/02/57/61/358025761.db2.gz XCXIGZHFBPKRCM-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000610619773 358025765 /nfs/dbraw/zinc/02/57/65/358025765.db2.gz XCXIGZHFBPKRCM-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO Cc1nnc(C[NH+]2CCC(CCF)CC2)[nH]1 ZINC000639990202 358027286 /nfs/dbraw/zinc/02/72/86/358027286.db2.gz TUEIEODYISYYOY-UHFFFAOYSA-N 1 2 226.299 1.685 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)o1 ZINC000628458049 358040270 /nfs/dbraw/zinc/04/02/70/358040270.db2.gz AUHHKYNCCPGYLY-JTQLQIEISA-N 1 2 243.278 1.332 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)o1 ZINC000628458049 358040273 /nfs/dbraw/zinc/04/02/73/358040273.db2.gz AUHHKYNCCPGYLY-JTQLQIEISA-N 1 2 243.278 1.332 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000584532617 358042690 /nfs/dbraw/zinc/04/26/90/358042690.db2.gz ZHZPIKGQHIGSSE-GRYCIOLGSA-N 1 2 247.342 1.845 20 0 BDADLO CC[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC000037447266 358070434 /nfs/dbraw/zinc/07/04/34/358070434.db2.gz PGHWOGLXNGQWNZ-UHFFFAOYSA-N 1 2 233.311 1.697 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H](CCO)C2)no1 ZINC000051916280 358100109 /nfs/dbraw/zinc/10/01/09/358100109.db2.gz VTBUWOZQEJYCRS-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H](CCO)C2)no1 ZINC000051916280 358100113 /nfs/dbraw/zinc/10/01/13/358100113.db2.gz VTBUWOZQEJYCRS-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000170764584 134253417 /nfs/dbraw/zinc/25/34/17/134253417.db2.gz ZAVWOMRMQIYBKD-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000170764584 134253418 /nfs/dbraw/zinc/25/34/18/134253418.db2.gz ZAVWOMRMQIYBKD-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000628458236 358094081 /nfs/dbraw/zinc/09/40/81/358094081.db2.gz IOVDOLIYXRCYNU-ZDUSSCGKSA-N 1 2 239.290 1.953 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000628458236 358094084 /nfs/dbraw/zinc/09/40/84/358094084.db2.gz IOVDOLIYXRCYNU-ZDUSSCGKSA-N 1 2 239.290 1.953 20 0 BDADLO COCc1noc(C[NH+]2CCC(C)(F)CC2)n1 ZINC000640071271 358155187 /nfs/dbraw/zinc/15/51/87/358155187.db2.gz HMNGPSGSALYJDR-UHFFFAOYSA-N 1 2 243.282 1.540 20 0 BDADLO CC1(F)CC[NH+](CCc2cnn[nH]2)CC1 ZINC000640071945 358162183 /nfs/dbraw/zinc/16/21/83/358162183.db2.gz VMKYCYPIVHRUFN-UHFFFAOYSA-N 1 2 212.272 1.171 20 0 BDADLO CC[C@H](C)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000171574090 134259172 /nfs/dbraw/zinc/25/91/72/134259172.db2.gz GLSSCGHNSDKDOJ-NSHDSACASA-N 1 2 232.327 1.917 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@]2(C)CO)[nH]1 ZINC000584816210 358186607 /nfs/dbraw/zinc/18/66/07/358186607.db2.gz KXEXZGSRPIGAHI-GFCCVEGCSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@]2(C)CO)[nH]1 ZINC000584816210 358186608 /nfs/dbraw/zinc/18/66/08/358186608.db2.gz KXEXZGSRPIGAHI-GFCCVEGCSA-N 1 2 238.335 1.275 20 0 BDADLO Cc1nc(N2CC[C@@H]2C2CC2)nc(N(C)C)[nH+]1 ZINC000450647235 202226316 /nfs/dbraw/zinc/22/63/16/202226316.db2.gz SLGOVVBQOMOKJC-SNVBAGLBSA-N 1 2 233.319 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H]2C2CC2)[nH+]1 ZINC000450647235 202226319 /nfs/dbraw/zinc/22/63/19/202226319.db2.gz SLGOVVBQOMOKJC-SNVBAGLBSA-N 1 2 233.319 1.235 20 0 BDADLO CC[C@@H](NC(=O)Cc1cnc(C)o1)c1[nH]cc[nH+]1 ZINC000640122293 358201703 /nfs/dbraw/zinc/20/17/03/358201703.db2.gz OXNOPQNLBDKPLI-SNVBAGLBSA-N 1 2 248.286 1.516 20 0 BDADLO CN(CCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000583905666 358225218 /nfs/dbraw/zinc/22/52/18/358225218.db2.gz NHRSICQHUOHUBI-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000450669920 202230575 /nfs/dbraw/zinc/23/05/75/202230575.db2.gz DACWFFJRCKPWPM-ZJUUUORDSA-N 1 2 239.319 1.792 20 0 BDADLO CC[C@H]1[C@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000450662081 202230791 /nfs/dbraw/zinc/23/07/91/202230791.db2.gz WFNBDQXSURUVQK-RYUDHWBXSA-N 1 2 247.342 1.951 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]nn1)[C@H]1COc2ccccc21 ZINC000450734674 202249708 /nfs/dbraw/zinc/24/97/08/202249708.db2.gz CZRLTKQEBIULIN-BXKDBHETSA-N 1 2 244.298 1.459 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]n1)[C@H]1COc2ccccc21 ZINC000450734674 202249712 /nfs/dbraw/zinc/24/97/12/202249712.db2.gz CZRLTKQEBIULIN-BXKDBHETSA-N 1 2 244.298 1.459 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H](C)CO ZINC000450737407 202251658 /nfs/dbraw/zinc/25/16/58/202251658.db2.gz JBYRGBDWLYQUMV-UTUOFQBUSA-N 1 2 245.363 1.571 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000450766965 202260966 /nfs/dbraw/zinc/26/09/66/202260966.db2.gz FLRSYSWBZYFIQU-LBPRGKRZSA-N 1 2 248.326 1.106 20 0 BDADLO C[C@H](O)CC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000450766965 202260969 /nfs/dbraw/zinc/26/09/69/202260969.db2.gz FLRSYSWBZYFIQU-LBPRGKRZSA-N 1 2 248.326 1.106 20 0 BDADLO CS[C@H](CO)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000218902101 134270243 /nfs/dbraw/zinc/27/02/43/134270243.db2.gz YXGIVCLTKMKWLW-RKDXNWHRSA-N 1 2 227.333 1.309 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccno2)cn1 ZINC000230973172 358413657 /nfs/dbraw/zinc/41/36/57/358413657.db2.gz JVCIRFBUXNYWBQ-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](CC)C2)no1 ZINC000125383642 358537478 /nfs/dbraw/zinc/53/74/78/358537478.db2.gz YYRVJYOMGDFNRP-VIFPVBQESA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](CC)C2)no1 ZINC000125383642 358537482 /nfs/dbraw/zinc/53/74/82/358537482.db2.gz YYRVJYOMGDFNRP-VIFPVBQESA-N 1 2 209.293 1.864 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212733829 358621555 /nfs/dbraw/zinc/62/15/55/358621555.db2.gz YEVOMNCILKPRDP-GXSJLCMTSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212733829 358621559 /nfs/dbraw/zinc/62/15/59/358621559.db2.gz YEVOMNCILKPRDP-GXSJLCMTSA-N 1 2 233.315 1.772 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccon1 ZINC000131395596 358672984 /nfs/dbraw/zinc/67/29/84/358672984.db2.gz MNFPNVKHZIJXFM-UHFFFAOYSA-N 1 2 248.286 1.457 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000049371027 358684480 /nfs/dbraw/zinc/68/44/80/358684480.db2.gz DSODNJVYQAQNCC-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CCO[C@H](C)c1nccn1CCn1cc[nH+]c1 ZINC000133469776 358756567 /nfs/dbraw/zinc/75/65/67/358756567.db2.gz NFXRMFVHBKJZCV-LLVKDONJSA-N 1 2 234.303 1.877 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1CC1)Cn1cc[nH+]c1 ZINC000176121155 134290408 /nfs/dbraw/zinc/29/04/08/134290408.db2.gz VUKPNCGTKQWNRP-RAIGVLPGSA-N 1 2 247.342 1.682 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)cn1 ZINC000134137833 358781048 /nfs/dbraw/zinc/78/10/48/358781048.db2.gz IFUHOEJKKZEIQJ-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000613675819 363618221 /nfs/dbraw/zinc/61/82/21/363618221.db2.gz SIIXMLHYWUZZRZ-GHMZBOCLSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1ccc2[nH+]c(CN3CCO[C@H](C)C3)cn2c1 ZINC000054172088 358855092 /nfs/dbraw/zinc/85/50/92/358855092.db2.gz GHXKVSDOLYSRBL-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000130218280 358959868 /nfs/dbraw/zinc/95/98/68/358959868.db2.gz KBKQLIVXNYOQHQ-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000130218280 358959873 /nfs/dbraw/zinc/95/98/73/358959873.db2.gz KBKQLIVXNYOQHQ-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000140464609 358922360 /nfs/dbraw/zinc/92/23/60/358922360.db2.gz CJBWQDXTBQWHFM-NXEZZACHSA-N 1 2 237.303 1.404 20 0 BDADLO CC[C@@H](NC(=O)c1cc(C)no1)c1[nH]cc[nH+]1 ZINC000140710791 358925814 /nfs/dbraw/zinc/92/58/14/358925814.db2.gz IKADISJPEIBEOK-MRVPVSSYSA-N 1 2 234.259 1.587 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1OC2CCC1CC2 ZINC000640231232 358944892 /nfs/dbraw/zinc/94/48/92/358944892.db2.gz ACNXKTNPJRSSBY-JYBOHDQNSA-N 1 2 211.305 1.970 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1OC2CCC1CC2 ZINC000640231232 358944895 /nfs/dbraw/zinc/94/48/95/358944895.db2.gz ACNXKTNPJRSSBY-JYBOHDQNSA-N 1 2 211.305 1.970 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070108 359039854 /nfs/dbraw/zinc/03/98/54/359039854.db2.gz INKBVMHPNQLEPU-NSHDSACASA-N 1 2 229.283 1.643 20 0 BDADLO C[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000073507729 359102441 /nfs/dbraw/zinc/10/24/41/359102441.db2.gz ACCDYMNKMVNMQD-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc(Cl)ccn1 ZINC000070651635 359062055 /nfs/dbraw/zinc/06/20/55/359062055.db2.gz QUAFSISTTVKXHF-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246826497 359168163 /nfs/dbraw/zinc/16/81/63/359168163.db2.gz KTPZYKYNTOVKSH-GDNZZTSVSA-N 1 2 233.315 1.436 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247704531 359242445 /nfs/dbraw/zinc/24/24/45/359242445.db2.gz RRABVGQSPWRACO-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247704531 359242448 /nfs/dbraw/zinc/24/24/48/359242448.db2.gz RRABVGQSPWRACO-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC(C)C)C[C@@H](C)O1 ZINC000247481705 359224040 /nfs/dbraw/zinc/22/40/40/359224040.db2.gz FRCDSCGYAIGPEW-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@@H](C)O1 ZINC000247481705 359224045 /nfs/dbraw/zinc/22/40/45/359224045.db2.gz FRCDSCGYAIGPEW-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000611648512 359408415 /nfs/dbraw/zinc/40/84/15/359408415.db2.gz BUXFMKRNIPPAHY-WRWGMCAJSA-N 1 2 247.342 1.638 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC000079543276 359448209 /nfs/dbraw/zinc/44/82/09/359448209.db2.gz HJYNOZPWBLLFCE-ZETCQYMHSA-N 1 2 235.209 1.198 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Cc1ccco1 ZINC000611794323 359452858 /nfs/dbraw/zinc/45/28/58/359452858.db2.gz IFLAEEHGIBWLNV-SECBINFHSA-N 1 2 247.298 1.806 20 0 BDADLO O=C1CCC[C@H](CNc2cccc[nH+]2)N1 ZINC000308932307 491140622 /nfs/dbraw/zinc/14/06/22/491140622.db2.gz MQDZYVFPUFYPGY-SECBINFHSA-N 1 2 205.261 1.162 20 0 BDADLO Cn1nc(Br)cc1C[NH+]1CCCC1 ZINC000306289085 359522900 /nfs/dbraw/zinc/52/29/00/359522900.db2.gz NNIUSSTUASSOFF-UHFFFAOYSA-N 1 2 244.136 1.778 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc[nH]1 ZINC000580447198 359562838 /nfs/dbraw/zinc/56/28/38/359562838.db2.gz BAELFAFPNUVAQH-SNVBAGLBSA-N 1 2 246.314 1.275 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc[nH]1 ZINC000580447198 359562844 /nfs/dbraw/zinc/56/28/44/359562844.db2.gz BAELFAFPNUVAQH-SNVBAGLBSA-N 1 2 246.314 1.275 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000574992629 359531135 /nfs/dbraw/zinc/53/11/35/359531135.db2.gz RSHTVJMEWYFOJT-ZJUUUORDSA-N 1 2 229.320 1.079 20 0 BDADLO CCc1nc(N[C@@H](C)c2nc[nH]n2)cc(C)[nH+]1 ZINC000283771046 359533046 /nfs/dbraw/zinc/53/30/46/359533046.db2.gz OREXTAYLOXVZFH-QMMMGPOBSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1nc(N[C@@H](C)c2nnc[nH]2)cc(C)[nH+]1 ZINC000283771046 359533049 /nfs/dbraw/zinc/53/30/49/359533049.db2.gz OREXTAYLOXVZFH-QMMMGPOBSA-N 1 2 232.291 1.639 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000054172439 359597787 /nfs/dbraw/zinc/59/77/87/359597787.db2.gz ARMBBYSUIRUTAC-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCO[C@@H](C)C1 ZINC000054172439 359597792 /nfs/dbraw/zinc/59/77/92/359597792.db2.gz ARMBBYSUIRUTAC-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H](C)O ZINC000450787708 202266113 /nfs/dbraw/zinc/26/61/13/202266113.db2.gz BLRBOKOFHCIVAU-SCZZXKLOSA-N 1 2 221.304 1.347 20 0 BDADLO Cc1nc(N2CC(C)(CO)C2)c(C)c(C)[nH+]1 ZINC000450794836 202269102 /nfs/dbraw/zinc/26/91/02/202269102.db2.gz MWRKICIIYXQZGX-UHFFFAOYSA-N 1 2 221.304 1.220 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000450822628 202274258 /nfs/dbraw/zinc/27/42/58/202274258.db2.gz BQXVFRSJMUBHCR-GFCCVEGCSA-N 1 2 236.319 1.196 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000450822628 202274262 /nfs/dbraw/zinc/27/42/62/202274262.db2.gz BQXVFRSJMUBHCR-GFCCVEGCSA-N 1 2 236.319 1.196 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000450822628 202274264 /nfs/dbraw/zinc/27/42/64/202274264.db2.gz BQXVFRSJMUBHCR-GFCCVEGCSA-N 1 2 236.319 1.196 20 0 BDADLO CCn1ccnc1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000450825800 202278828 /nfs/dbraw/zinc/27/88/28/202278828.db2.gz FKSFROAHUKRRCH-VIFPVBQESA-N 1 2 231.303 1.596 20 0 BDADLO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cnn[nH]1 ZINC000450836203 202283958 /nfs/dbraw/zinc/28/39/58/202283958.db2.gz ARMACUGAPPNZCN-GFCCVEGCSA-N 1 2 244.298 1.678 20 0 BDADLO CC(C)NC(=O)CNc1cc[nH+]cc1F ZINC000309083614 491144455 /nfs/dbraw/zinc/14/44/55/491144455.db2.gz UCTCQJISOARIJF-UHFFFAOYSA-N 1 2 211.240 1.157 20 0 BDADLO COCC[N@H+](Cc1cc[nH]n1)[C@@H]1CCO[C@H]1C ZINC000450886114 202296883 /nfs/dbraw/zinc/29/68/83/202296883.db2.gz VTTOCLLHYLXSJS-CMPLNLGQSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cc[nH]n1)[C@@H]1CCO[C@H]1C ZINC000450886114 202296887 /nfs/dbraw/zinc/29/68/87/202296887.db2.gz VTTOCLLHYLXSJS-CMPLNLGQSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@H+](Cc1cc[nH]n1)[C@H]1CCO[C@@H]1C ZINC000450886116 202298167 /nfs/dbraw/zinc/29/81/67/202298167.db2.gz VTTOCLLHYLXSJS-PWSUYJOCSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cc[nH]n1)[C@H]1CCO[C@@H]1C ZINC000450886116 202298168 /nfs/dbraw/zinc/29/81/68/202298168.db2.gz VTTOCLLHYLXSJS-PWSUYJOCSA-N 1 2 239.319 1.036 20 0 BDADLO Cc1nc(N2CCC[C@]3(CCOC3)C2)cc[nH+]1 ZINC000450887501 202299051 /nfs/dbraw/zinc/29/90/51/202299051.db2.gz ZFQYQBPWEZSMDU-ZDUSSCGKSA-N 1 2 233.315 1.792 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612307038 359778043 /nfs/dbraw/zinc/77/80/43/359778043.db2.gz DPGXALIYIZGDCV-NNYUYHANSA-N 1 2 247.342 1.923 20 0 BDADLO CC[C@](C)(OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000578390166 366549683 /nfs/dbraw/zinc/54/96/83/366549683.db2.gz FCVOXUDNIGLDEX-ZDUSSCGKSA-N 1 2 236.315 1.874 20 0 BDADLO Cc1nsc(NCC[N@@H+]2CCCC2(C)C)n1 ZINC000450951523 202318851 /nfs/dbraw/zinc/31/88/51/202318851.db2.gz QEIYWYQRTVHMNI-UHFFFAOYSA-N 1 2 240.376 1.555 20 0 BDADLO Cc1nsc(NCC[N@H+]2CCCC2(C)C)n1 ZINC000450951523 202318853 /nfs/dbraw/zinc/31/88/53/202318853.db2.gz QEIYWYQRTVHMNI-UHFFFAOYSA-N 1 2 240.376 1.555 20 0 BDADLO CCn1ccnc1C[NH+]1CC(C)(COC)C1 ZINC000578440556 366568334 /nfs/dbraw/zinc/56/83/34/366568334.db2.gz YQCMAWPKNZEGJN-UHFFFAOYSA-N 1 2 223.320 1.371 20 0 BDADLO CCn1cc[nH+]c1CN1CC(C)(COC)C1 ZINC000578440556 366568341 /nfs/dbraw/zinc/56/83/41/366568341.db2.gz YQCMAWPKNZEGJN-UHFFFAOYSA-N 1 2 223.320 1.371 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000451075580 202349177 /nfs/dbraw/zinc/34/91/77/202349177.db2.gz WYUZLARDOHNZCW-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000451075580 202349181 /nfs/dbraw/zinc/34/91/81/202349181.db2.gz WYUZLARDOHNZCW-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000451075580 202349186 /nfs/dbraw/zinc/34/91/86/202349186.db2.gz WYUZLARDOHNZCW-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000451075580 202349188 /nfs/dbraw/zinc/34/91/88/202349188.db2.gz WYUZLARDOHNZCW-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000451075580 202349192 /nfs/dbraw/zinc/34/91/92/202349192.db2.gz WYUZLARDOHNZCW-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000451075580 202349194 /nfs/dbraw/zinc/34/91/94/202349194.db2.gz WYUZLARDOHNZCW-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO C[C@]1(F)CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000451109170 202353448 /nfs/dbraw/zinc/35/34/48/202353448.db2.gz AKUBMCTVYURCAN-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000451109170 202353450 /nfs/dbraw/zinc/35/34/50/202353450.db2.gz AKUBMCTVYURCAN-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000451065251 202343318 /nfs/dbraw/zinc/34/33/18/202343318.db2.gz URJWYMLUKJWCOU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000451065251 202343319 /nfs/dbraw/zinc/34/33/19/202343319.db2.gz URJWYMLUKJWCOU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000451065251 202343320 /nfs/dbraw/zinc/34/33/20/202343320.db2.gz URJWYMLUKJWCOU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000451065251 202343321 /nfs/dbraw/zinc/34/33/21/202343321.db2.gz URJWYMLUKJWCOU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000451065251 202343322 /nfs/dbraw/zinc/34/33/22/202343322.db2.gz URJWYMLUKJWCOU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000451065251 202343323 /nfs/dbraw/zinc/34/33/23/202343323.db2.gz URJWYMLUKJWCOU-LLVKDONJSA-N 1 2 236.319 1.053 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000451180076 202370733 /nfs/dbraw/zinc/37/07/33/202370733.db2.gz BZBVECMQWNCPTI-GRYCIOLGSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@@H](F)C2)C1 ZINC000451180076 202370735 /nfs/dbraw/zinc/37/07/35/202370735.db2.gz BZBVECMQWNCPTI-GRYCIOLGSA-N 1 2 242.338 1.535 20 0 BDADLO Cc1cc(C[N@@H+](C(C)C)C2COC2)nn1C ZINC000451120747 202357863 /nfs/dbraw/zinc/35/78/63/202357863.db2.gz NIAPJOJUBMRFRZ-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+](C(C)C)C2COC2)nn1C ZINC000451120747 202357865 /nfs/dbraw/zinc/35/78/65/202357865.db2.gz NIAPJOJUBMRFRZ-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+](C(C)C)C2COC2)on1 ZINC000451122487 202360143 /nfs/dbraw/zinc/36/01/43/202360143.db2.gz YHTIXJUZHCLUPK-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1cc(C[N@H+](C(C)C)C2COC2)on1 ZINC000451122487 202360145 /nfs/dbraw/zinc/36/01/45/202360145.db2.gz YHTIXJUZHCLUPK-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)[C@H](C)O1 ZINC000451173542 202371057 /nfs/dbraw/zinc/37/10/57/202371057.db2.gz ZONDQNIZZORPQA-GJMOJQLCSA-N 1 2 205.248 1.940 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)[C@@H](C)O1 ZINC000451173544 202371107 /nfs/dbraw/zinc/37/11/07/202371107.db2.gz ZONDQNIZZORPQA-PRJMDXOYSA-N 1 2 205.248 1.940 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](F)C1 ZINC000451184661 202372524 /nfs/dbraw/zinc/37/25/24/202372524.db2.gz KMUXOIQZIPIUSQ-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](F)C1 ZINC000451184661 202372525 /nfs/dbraw/zinc/37/25/25/202372525.db2.gz KMUXOIQZIPIUSQ-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451187389 202372755 /nfs/dbraw/zinc/37/27/55/202372755.db2.gz NHWOAOCTFKLZIZ-UWVGGRQHSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451187389 202372757 /nfs/dbraw/zinc/37/27/57/202372757.db2.gz NHWOAOCTFKLZIZ-UWVGGRQHSA-N 1 2 230.327 1.724 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000309160549 491145687 /nfs/dbraw/zinc/14/56/87/491145687.db2.gz YWCDLJUORIPFBV-ZETCQYMHSA-N 1 2 205.265 1.292 20 0 BDADLO CC[N@H+](C1COC1)[C@H]1CCCN(C(C)C)C1=O ZINC000451281237 202395071 /nfs/dbraw/zinc/39/50/71/202395071.db2.gz ABBYPMBUSQOGRL-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@@H+](C1COC1)[C@H]1CCCN(C(C)C)C1=O ZINC000451281237 202395075 /nfs/dbraw/zinc/39/50/75/202395075.db2.gz ABBYPMBUSQOGRL-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)C12CCC2 ZINC000087709863 359924056 /nfs/dbraw/zinc/92/40/56/359924056.db2.gz KRLIIBIMIQJJNK-GARJFASQSA-N 1 2 241.331 1.485 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1cccnc1 ZINC000578883203 366667953 /nfs/dbraw/zinc/66/79/53/366667953.db2.gz TWJAAZYOTVPDAT-UHFFFAOYSA-N 1 2 244.298 1.157 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccc(F)c1 ZINC000088589061 359968205 /nfs/dbraw/zinc/96/82/05/359968205.db2.gz OYYLDOTWKVBIGL-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccc(OC)c1 ZINC000088589573 359969795 /nfs/dbraw/zinc/96/97/95/359969795.db2.gz KFJWFHCVVLIOKF-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1C ZINC000088753471 359975990 /nfs/dbraw/zinc/97/59/90/359975990.db2.gz PYMRRFHAZNLNRX-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1C ZINC000088753471 359975994 /nfs/dbraw/zinc/97/59/94/359975994.db2.gz PYMRRFHAZNLNRX-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2[nH]cnc2c1 ZINC000088752400 359976465 /nfs/dbraw/zinc/97/64/65/359976465.db2.gz LBVLGNRBYWHNLY-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2[nH]cnc2c1 ZINC000088752400 359976469 /nfs/dbraw/zinc/97/64/69/359976469.db2.gz LBVLGNRBYWHNLY-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[NH+]1CC(C(F)(F)F)C1 ZINC000578843955 366656794 /nfs/dbraw/zinc/65/67/94/366656794.db2.gz AHGAIQSHGHCPNU-LURJTMIESA-N 1 2 236.237 1.148 20 0 BDADLO CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1COC1 ZINC000578846852 366657184 /nfs/dbraw/zinc/65/71/84/366657184.db2.gz JDNPYYSIVWUWLL-SNVBAGLBSA-N 1 2 249.314 1.077 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cncs1 ZINC000091980360 360139955 /nfs/dbraw/zinc/13/99/55/360139955.db2.gz KLPWFASCIQQONX-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cncs1 ZINC000091980360 360139958 /nfs/dbraw/zinc/13/99/58/360139958.db2.gz KLPWFASCIQQONX-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000612913607 360184761 /nfs/dbraw/zinc/18/47/61/360184761.db2.gz TXTCTOMKQVOQSX-LLVKDONJSA-N 1 2 235.283 1.347 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000612913607 360184764 /nfs/dbraw/zinc/18/47/64/360184764.db2.gz TXTCTOMKQVOQSX-LLVKDONJSA-N 1 2 235.283 1.347 20 0 BDADLO CC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000612913608 360185186 /nfs/dbraw/zinc/18/51/86/360185186.db2.gz TXTCTOMKQVOQSX-NSHDSACASA-N 1 2 235.283 1.347 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000612913608 360185189 /nfs/dbraw/zinc/18/51/89/360185189.db2.gz TXTCTOMKQVOQSX-NSHDSACASA-N 1 2 235.283 1.347 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1O ZINC000093343549 360235712 /nfs/dbraw/zinc/23/57/12/360235712.db2.gz JXBPNFNUTWZUHD-UWVGGRQHSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1O ZINC000093343549 360235716 /nfs/dbraw/zinc/23/57/16/360235716.db2.gz JXBPNFNUTWZUHD-UWVGGRQHSA-N 1 2 229.320 1.031 20 0 BDADLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C ZINC000094165794 360297535 /nfs/dbraw/zinc/29/75/35/360297535.db2.gz BPALDYCUEWXWPI-UHFFFAOYSA-N 1 2 231.299 1.823 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000093640039 360264521 /nfs/dbraw/zinc/26/45/21/360264521.db2.gz GFUJEORIYPVZPB-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000093640039 360264525 /nfs/dbraw/zinc/26/45/25/360264525.db2.gz GFUJEORIYPVZPB-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1C ZINC000093771802 360275642 /nfs/dbraw/zinc/27/56/42/360275642.db2.gz GCABTWNKCASDEX-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1C ZINC000093771802 360275645 /nfs/dbraw/zinc/27/56/45/360275645.db2.gz GCABTWNKCASDEX-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000096641834 360351222 /nfs/dbraw/zinc/35/12/22/360351222.db2.gz FGMKVORPJDBASN-JTQLQIEISA-N 1 2 221.304 1.218 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C(F)(F)F ZINC000060312232 360441871 /nfs/dbraw/zinc/44/18/71/360441871.db2.gz GAGRFYFYZUODHX-UHFFFAOYSA-N 1 2 235.209 1.294 20 0 BDADLO C[C@H](O)CCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631118130 360539728 /nfs/dbraw/zinc/53/97/28/360539728.db2.gz FYNDNGGNYYSCRF-QMMMGPOBSA-N 1 2 246.314 1.970 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N(C1CC1)C1CC1 ZINC000628816178 360668845 /nfs/dbraw/zinc/66/88/45/360668845.db2.gz NPCSTQGYWKJTHF-UHFFFAOYSA-N 1 2 233.315 1.817 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(C1CC1)C1CC1 ZINC000628813705 360675657 /nfs/dbraw/zinc/67/56/57/360675657.db2.gz USXDQTAAVJXEAO-JTQLQIEISA-N 1 2 245.326 1.599 20 0 BDADLO CC(C)C[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913813 360746436 /nfs/dbraw/zinc/74/64/36/360746436.db2.gz DNJUXEMZOKXZKH-RYUDHWBXSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)C[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913813 360746439 /nfs/dbraw/zinc/74/64/39/360746439.db2.gz DNJUXEMZOKXZKH-RYUDHWBXSA-N 1 2 242.363 1.115 20 0 BDADLO CCC(C)(C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628921488 360755302 /nfs/dbraw/zinc/75/53/02/360755302.db2.gz ZZSYRVIPPRDZGN-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628921488 360755305 /nfs/dbraw/zinc/75/53/05/360755305.db2.gz ZZSYRVIPPRDZGN-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCCCC1 ZINC000628925400 360758045 /nfs/dbraw/zinc/75/80/45/360758045.db2.gz HDQOMCHWBYDBHQ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1CCCCC1 ZINC000628925400 360758049 /nfs/dbraw/zinc/75/80/49/360758049.db2.gz HDQOMCHWBYDBHQ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cccc(C(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000628925069 360758376 /nfs/dbraw/zinc/75/83/76/360758376.db2.gz FCUHGSIHTHJZTJ-CYBMUJFWSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1cccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000628925069 360758377 /nfs/dbraw/zinc/75/83/77/360758377.db2.gz FCUHGSIHTHJZTJ-CYBMUJFWSA-N 1 2 248.326 1.055 20 0 BDADLO CCCC[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628925372 360758384 /nfs/dbraw/zinc/75/83/84/360758384.db2.gz ZOUDMZLGLXHSJJ-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628925372 360758387 /nfs/dbraw/zinc/75/83/87/360758387.db2.gz ZOUDMZLGLXHSJJ-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC(=O)C1CCCC1 ZINC000628994646 360783715 /nfs/dbraw/zinc/78/37/15/360783715.db2.gz KFWRFEPKNAAGKF-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO CN(C)c1ccc(Cn2ccsc2=O)c[nH+]1 ZINC000629157954 360911230 /nfs/dbraw/zinc/91/12/30/360911230.db2.gz RWYHDUYTICYMHN-UHFFFAOYSA-N 1 2 235.312 1.419 20 0 BDADLO CC[N@H+](Cc1cccc(C(=O)NC)c1)C1COC1 ZINC000451289286 200744461 /nfs/dbraw/zinc/74/44/61/200744461.db2.gz VLLPVQNTFFSBTI-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO CC[N@@H+](Cc1cccc(C(=O)NC)c1)C1COC1 ZINC000451289286 200744464 /nfs/dbraw/zinc/74/44/64/200744464.db2.gz VLLPVQNTFFSBTI-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(C(F)F)CCC1 ZINC000631207090 360994257 /nfs/dbraw/zinc/99/42/57/360994257.db2.gz DIECRGBXEBKTBY-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@@H](C(F)F)C2)c1Cl ZINC000309646192 491153501 /nfs/dbraw/zinc/15/35/01/491153501.db2.gz WCOMOYOCUXSPMI-RXMQYKEDSA-N 1 2 248.664 1.804 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@@H](C(F)F)C2)c1Cl ZINC000309646192 491153502 /nfs/dbraw/zinc/15/35/02/491153502.db2.gz WCOMOYOCUXSPMI-RXMQYKEDSA-N 1 2 248.664 1.804 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332979706 361246723 /nfs/dbraw/zinc/24/67/23/361246723.db2.gz LCTAMHMJMKJTLL-VWYCJHECSA-N 1 2 248.330 1.153 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000640481866 361267736 /nfs/dbraw/zinc/26/77/36/361267736.db2.gz FSOUCTUKNGVYAH-FZMZJTMJSA-N 1 2 247.342 1.565 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000640481866 361267742 /nfs/dbraw/zinc/26/77/42/361267742.db2.gz FSOUCTUKNGVYAH-FZMZJTMJSA-N 1 2 247.342 1.565 20 0 BDADLO C[C@@H](CC(=O)N(C)CC1CC1)n1cc[nH+]c1 ZINC000579013628 366696724 /nfs/dbraw/zinc/69/67/24/366696724.db2.gz JVDJJXOKXCMHGW-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@@H]1O ZINC000428290266 201005355 /nfs/dbraw/zinc/00/53/55/201005355.db2.gz LZZFVJSGGYWYLT-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@@H]1O ZINC000428290266 201005357 /nfs/dbraw/zinc/00/53/57/201005357.db2.gz LZZFVJSGGYWYLT-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO COCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928376 201050587 /nfs/dbraw/zinc/05/05/87/201050587.db2.gz KLDHPIAOKBXGFR-QMMMGPOBSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928376 201050591 /nfs/dbraw/zinc/05/05/91/201050591.db2.gz KLDHPIAOKBXGFR-QMMMGPOBSA-N 1 2 241.253 1.675 20 0 BDADLO OC[C@@H](CC(F)F)Nc1cc[nH+]c(C2CC2)n1 ZINC000428673198 201033570 /nfs/dbraw/zinc/03/35/70/201033570.db2.gz FFLISUUNWLDSBB-MRVPVSSYSA-N 1 2 243.257 1.204 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285361098 370688071 /nfs/dbraw/zinc/68/80/71/370688071.db2.gz QFLCWGRHOLXSLC-LLVKDONJSA-N 1 2 233.267 1.684 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC=C(c2ccco2)C1 ZINC000285361098 370688077 /nfs/dbraw/zinc/68/80/77/370688077.db2.gz QFLCWGRHOLXSLC-LLVKDONJSA-N 1 2 233.267 1.684 20 0 BDADLO CC(C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275483 363767159 /nfs/dbraw/zinc/76/71/59/363767159.db2.gz KVPPBORCSRIHHQ-UHFFFAOYSA-N 1 2 219.244 1.044 20 0 BDADLO C[C@@](O)(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000614276870 363769077 /nfs/dbraw/zinc/76/90/77/363769077.db2.gz XGXXMADYPGZMHC-ZDUSSCGKSA-N 1 2 245.282 1.434 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCCOC2)[nH]1 ZINC000428951480 201052823 /nfs/dbraw/zinc/05/28/23/201052823.db2.gz FVVOQMNZXDJUHL-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCCOC2)[nH]1 ZINC000428951480 201052827 /nfs/dbraw/zinc/05/28/27/201052827.db2.gz FVVOQMNZXDJUHL-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000428967094 201055317 /nfs/dbraw/zinc/05/53/17/201055317.db2.gz WWOBUSOAMQRLNL-LBPRGKRZSA-N 1 2 242.294 1.452 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000428967094 201055318 /nfs/dbraw/zinc/05/53/18/201055318.db2.gz WWOBUSOAMQRLNL-LBPRGKRZSA-N 1 2 242.294 1.452 20 0 BDADLO CCCN(CC(N)=O)Cc1[nH+]ccn1C(C)C ZINC000429118692 201068497 /nfs/dbraw/zinc/06/84/97/201068497.db2.gz TZNWNRKHQGLXPQ-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429168360 201077371 /nfs/dbraw/zinc/07/73/71/201077371.db2.gz PALGMPCGLFBDGQ-QWRGUYRKSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429168360 201077374 /nfs/dbraw/zinc/07/73/74/201077374.db2.gz PALGMPCGLFBDGQ-QWRGUYRKSA-N 1 2 238.335 1.033 20 0 BDADLO Cc1nnc(C[N@@H+](C)C2(CO)CCC2)s1 ZINC000429251057 201082387 /nfs/dbraw/zinc/08/23/87/201082387.db2.gz AWXBLVUDMDXZGA-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+](C)C2(CO)CCC2)s1 ZINC000429251057 201082390 /nfs/dbraw/zinc/08/23/90/201082390.db2.gz AWXBLVUDMDXZGA-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO CC[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579301237 366755718 /nfs/dbraw/zinc/75/57/18/366755718.db2.gz CNQRBBQUBGSXAL-GFCCVEGCSA-N 1 2 221.304 1.532 20 0 BDADLO CC1(C2(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000579321845 366759450 /nfs/dbraw/zinc/75/94/50/366759450.db2.gz ZNSQHODROQMPSF-UHFFFAOYSA-N 1 2 219.288 1.332 20 0 BDADLO CS[C@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579343075 366763378 /nfs/dbraw/zinc/76/33/78/366763378.db2.gz LJEVVNZCLOVTNJ-HTRCEHHLSA-N 1 2 245.373 1.011 20 0 BDADLO Cc1nnc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)s1 ZINC000429296849 201097171 /nfs/dbraw/zinc/09/71/71/201097171.db2.gz XNMQKKMNPRUJHO-YUMQZZPRSA-N 1 2 241.360 1.580 20 0 BDADLO Cc1nc(CC[N@@H+]2CCc3n[nH]nc3C2)cs1 ZINC000429316329 201097564 /nfs/dbraw/zinc/09/75/64/201097564.db2.gz LFJMYGJLZWFSMI-UHFFFAOYSA-N 1 2 249.343 1.170 20 0 BDADLO Cc1nc(CC[N@H+]2CCc3n[nH]nc3C2)cs1 ZINC000429316329 201097566 /nfs/dbraw/zinc/09/75/66/201097566.db2.gz LFJMYGJLZWFSMI-UHFFFAOYSA-N 1 2 249.343 1.170 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CCCCO ZINC000429301175 201098959 /nfs/dbraw/zinc/09/89/59/201098959.db2.gz KQQQCPWERCVFGC-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CCCCO ZINC000429301175 201098963 /nfs/dbraw/zinc/09/89/63/201098963.db2.gz KQQQCPWERCVFGC-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3n[nH]nc3C2)c(C)n1 ZINC000429314042 201099221 /nfs/dbraw/zinc/09/92/21/201099221.db2.gz HHTQLUJTSLIANH-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3n[nH]nc3C2)c(C)n1 ZINC000429314042 201099224 /nfs/dbraw/zinc/09/92/24/201099224.db2.gz HHTQLUJTSLIANH-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429388345 201101355 /nfs/dbraw/zinc/10/13/55/201101355.db2.gz NVMQECFFOYLZDT-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429388345 201101358 /nfs/dbraw/zinc/10/13/58/201101358.db2.gz NVMQECFFOYLZDT-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncccc1O ZINC000180996354 366778998 /nfs/dbraw/zinc/77/89/98/366778998.db2.gz ISQVFLGVZWFEFG-SNVBAGLBSA-N 1 2 249.314 1.600 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ncccc1O ZINC000180996354 366779004 /nfs/dbraw/zinc/77/90/04/366779004.db2.gz ISQVFLGVZWFEFG-SNVBAGLBSA-N 1 2 249.314 1.600 20 0 BDADLO COC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000429708083 201129739 /nfs/dbraw/zinc/12/97/39/201129739.db2.gz IRMYEIZLSVWZQK-JLLWLGSASA-N 1 2 239.315 1.097 20 0 BDADLO CC(C)(C)OC(=O)CCC[NH+]1CCOCC1 ZINC000181507016 366816521 /nfs/dbraw/zinc/81/65/21/366816521.db2.gz QHDUUDQENBRLKQ-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CCn1ccnc1C[NH+]1CC2(C1)CCOC2 ZINC000552444157 325637383 /nfs/dbraw/zinc/63/73/83/325637383.db2.gz UKXOZGDTDOWHGJ-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO COC(=O)C1(C[N@H+](CC(F)F)C2CC2)CC1 ZINC000448521886 201161372 /nfs/dbraw/zinc/16/13/72/201161372.db2.gz SRWGIXSRLOKFAL-UHFFFAOYSA-N 1 2 233.258 1.669 20 0 BDADLO COC(=O)C1(C[N@@H+](CC(F)F)C2CC2)CC1 ZINC000448521886 201161375 /nfs/dbraw/zinc/16/13/75/201161375.db2.gz SRWGIXSRLOKFAL-UHFFFAOYSA-N 1 2 233.258 1.669 20 0 BDADLO CC(C)(C(=O)NCC1=CCOCC1)c1c[nH]c[nH+]1 ZINC000622075240 370695607 /nfs/dbraw/zinc/69/56/07/370695607.db2.gz VRMGQFKAPCANHO-UHFFFAOYSA-N 1 2 249.314 1.150 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@@H](O)C(C)C ZINC000433180412 201162691 /nfs/dbraw/zinc/16/26/91/201162691.db2.gz JHBUJQKPCCVXRB-LLVKDONJSA-N 1 2 245.363 1.715 20 0 BDADLO CC1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000430254183 201157533 /nfs/dbraw/zinc/15/75/33/201157533.db2.gz GMBSXAHIFUXYBJ-JTQLQIEISA-N 1 2 248.330 1.440 20 0 BDADLO CO[C@H](C)C[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000433308223 201178166 /nfs/dbraw/zinc/17/81/66/201178166.db2.gz XXGARUJVDFHKGB-PELKAZGASA-N 1 2 239.319 1.628 20 0 BDADLO CSCC[N@H+](C)Cc1ncc(C)o1 ZINC000152531747 201202723 /nfs/dbraw/zinc/20/27/23/201202723.db2.gz REWXOGKCTYIRCO-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO CSCC[N@@H+](C)Cc1ncc(C)o1 ZINC000152531747 201202724 /nfs/dbraw/zinc/20/27/24/201202724.db2.gz REWXOGKCTYIRCO-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO COC[C@@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433765008 201192044 /nfs/dbraw/zinc/19/20/44/201192044.db2.gz GACCQGVXYLHGDN-QMMMGPOBSA-N 1 2 234.303 1.383 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H]2CO)[nH+]1 ZINC000433771914 201193292 /nfs/dbraw/zinc/19/32/92/201193292.db2.gz AGQBWWPRZBTQLH-SECBINFHSA-N 1 2 232.287 1.227 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)C[C@@H](C)O)[nH+]1 ZINC000433796381 201194939 /nfs/dbraw/zinc/19/49/39/201194939.db2.gz LUCZKPSENJWUNC-DTWKUNHWSA-N 1 2 248.330 1.507 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](CO)C2)[nH+]1 ZINC000433804776 201195536 /nfs/dbraw/zinc/19/55/36/201195536.db2.gz RWXXMQBHWFHLDC-SECBINFHSA-N 1 2 232.287 1.085 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000629664946 361596293 /nfs/dbraw/zinc/59/62/93/361596293.db2.gz LXDLXAFIPGGDJR-NSHDSACASA-N 1 2 239.294 1.055 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000629664946 361596299 /nfs/dbraw/zinc/59/62/99/361596299.db2.gz LXDLXAFIPGGDJR-NSHDSACASA-N 1 2 239.294 1.055 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000434539587 201225613 /nfs/dbraw/zinc/22/56/13/201225613.db2.gz HNVSYQCKXKMDRM-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000434539587 201225616 /nfs/dbraw/zinc/22/56/16/201225616.db2.gz HNVSYQCKXKMDRM-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000306640404 361589604 /nfs/dbraw/zinc/58/96/04/361589604.db2.gz PLSLYGQAQIRZCK-SVRRBLITSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000306640404 361589609 /nfs/dbraw/zinc/58/96/09/361589609.db2.gz PLSLYGQAQIRZCK-SVRRBLITSA-N 1 2 232.736 1.609 20 0 BDADLO CCNc1ccc(-c2ccnn2CC)c[nH+]1 ZINC000629702626 361636293 /nfs/dbraw/zinc/63/62/93/361636293.db2.gz QSLFLSITOUAOAA-UHFFFAOYSA-N 1 2 216.288 1.819 20 0 BDADLO COCCn1cc(-c2c[nH]c(C)[nH+]2)cn1 ZINC000629750956 361682843 /nfs/dbraw/zinc/68/28/43/361682843.db2.gz HOUJUIWOWMQBOF-UHFFFAOYSA-N 1 2 206.249 1.228 20 0 BDADLO COCCn1cc(-c2ccc[nH+]c2N)cn1 ZINC000629752324 361684094 /nfs/dbraw/zinc/68/40/94/361684094.db2.gz UGAKVGVOOOFGCS-UHFFFAOYSA-N 1 2 218.260 1.174 20 0 BDADLO CCc1nc(SCc2cc[nH+]c(N)c2)n[nH]1 ZINC000195500604 361699235 /nfs/dbraw/zinc/69/92/35/361699235.db2.gz QOIJJBYYRBBPBK-UHFFFAOYSA-N 1 2 235.316 1.637 20 0 BDADLO CCc1nnc(SCc2cc[nH+]c(N)c2)[nH]1 ZINC000195500604 361699238 /nfs/dbraw/zinc/69/92/38/361699238.db2.gz QOIJJBYYRBBPBK-UHFFFAOYSA-N 1 2 235.316 1.637 20 0 BDADLO O=C(NCCF)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000437671984 201366730 /nfs/dbraw/zinc/36/67/30/201366730.db2.gz HGJFUZAROZILAA-UHFFFAOYSA-N 1 2 247.273 1.631 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC12CC2 ZINC000629831072 361727611 /nfs/dbraw/zinc/72/76/11/361727611.db2.gz GXBMXCXTVHUGIK-GFCCVEGCSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614602277 363905830 /nfs/dbraw/zinc/90/58/30/363905830.db2.gz AKNNWURHTOFGNT-ZYUZMQFOSA-N 1 2 219.288 1.048 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCOC ZINC000622082853 370699590 /nfs/dbraw/zinc/69/95/90/370699590.db2.gz SUDNKVFSTAYJTJ-SECBINFHSA-N 1 2 225.292 1.117 20 0 BDADLO CCOCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000622082975 370699659 /nfs/dbraw/zinc/69/96/59/370699659.db2.gz VLDPDIBQWGSDKE-SECBINFHSA-N 1 2 225.292 1.117 20 0 BDADLO CC(C)(F)CNC(=O)NCCCn1cc[nH+]c1 ZINC000630399794 364127330 /nfs/dbraw/zinc/12/73/30/364127330.db2.gz FVBCECPCMTXVII-UHFFFAOYSA-N 1 2 242.298 1.321 20 0 BDADLO CCSCC[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000135793383 364450870 /nfs/dbraw/zinc/45/08/70/364450870.db2.gz ZFIUNAQTPAAXPY-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCSCC[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000135793383 364450872 /nfs/dbraw/zinc/45/08/72/364450872.db2.gz ZFIUNAQTPAAXPY-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(O)CCC2)[nH+]1 ZINC000080980791 364509736 /nfs/dbraw/zinc/50/97/36/364509736.db2.gz VKOVNQZAESTVCP-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO C[C@@H](NC(=O)CCC(C)(C)O)c1[nH]cc[nH+]1 ZINC000615158429 364549118 /nfs/dbraw/zinc/54/91/18/364549118.db2.gz OSZLXQFCWRYKPL-MRVPVSSYSA-N 1 2 225.292 1.138 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1c[nH]nc1C ZINC000615138856 364516187 /nfs/dbraw/zinc/51/61/87/364516187.db2.gz CBPCNVCYRWXTEO-SNVBAGLBSA-N 1 2 225.292 1.102 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1c[nH]nc1C ZINC000615138856 364516193 /nfs/dbraw/zinc/51/61/93/364516193.db2.gz CBPCNVCYRWXTEO-SNVBAGLBSA-N 1 2 225.292 1.102 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615354437 364711823 /nfs/dbraw/zinc/71/18/23/364711823.db2.gz OUEHEUNKYCACFN-IUCAKERBSA-N 1 2 239.294 1.379 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615354437 364711829 /nfs/dbraw/zinc/71/18/29/364711829.db2.gz OUEHEUNKYCACFN-IUCAKERBSA-N 1 2 239.294 1.379 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000615363045 364733852 /nfs/dbraw/zinc/73/38/52/364733852.db2.gz IOMCNZRHDXEOLV-LMLFDSFASA-N 1 2 233.315 1.390 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1C[C@H]1C ZINC000167382313 364791156 /nfs/dbraw/zinc/79/11/56/364791156.db2.gz CMPAEUVRALNYBD-RQJHMYQMSA-N 1 2 208.265 1.135 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1C[C@H]1C ZINC000167382313 364791162 /nfs/dbraw/zinc/79/11/62/364791162.db2.gz CMPAEUVRALNYBD-RQJHMYQMSA-N 1 2 208.265 1.135 20 0 BDADLO Cc1cnccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000573434773 364831118 /nfs/dbraw/zinc/83/11/18/364831118.db2.gz KSMZNKAJAIYQFR-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cnccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000573434773 364831121 /nfs/dbraw/zinc/83/11/21/364831121.db2.gz KSMZNKAJAIYQFR-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)co1 ZINC000573609586 364874105 /nfs/dbraw/zinc/87/41/05/364874105.db2.gz BZAVEDWGSNMKHD-JTQLQIEISA-N 1 2 245.286 1.151 20 0 BDADLO c1nc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)co1 ZINC000573609586 364874107 /nfs/dbraw/zinc/87/41/07/364874107.db2.gz BZAVEDWGSNMKHD-JTQLQIEISA-N 1 2 245.286 1.151 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000573620758 364877059 /nfs/dbraw/zinc/87/70/59/364877059.db2.gz RGKYDGIEJYIJOW-NXEZZACHSA-N 1 2 207.277 1.283 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H](C)c2nc(C)no2)cn1 ZINC000573649814 364883695 /nfs/dbraw/zinc/88/36/95/364883695.db2.gz QPYNHIHFJHQTLE-QMMMGPOBSA-N 1 2 233.275 1.526 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N1C[C@@H](O)[C@@H](O)C1 ZINC000235874648 541392390 /nfs/dbraw/zinc/39/23/90/541392390.db2.gz QBGMSWXDLBWPMS-BETUJISGSA-N 1 2 244.294 1.085 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C2CCC2)CCC1 ZINC000573803437 364919718 /nfs/dbraw/zinc/91/97/18/364919718.db2.gz QHPFTIGPBZKXIL-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(C(C)C)no2)C1 ZINC000573904766 364941532 /nfs/dbraw/zinc/94/15/32/364941532.db2.gz LXVFOIXIRNLINO-SECBINFHSA-N 1 2 225.292 1.586 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(C(C)C)no2)C1 ZINC000573904766 364941535 /nfs/dbraw/zinc/94/15/35/364941535.db2.gz LXVFOIXIRNLINO-SECBINFHSA-N 1 2 225.292 1.586 20 0 BDADLO Cc1ccncc1C(=O)NCc1c[nH+]cn1C ZINC000336017623 541424045 /nfs/dbraw/zinc/42/40/45/541424045.db2.gz LGJBZZODYCMHSQ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(Cc1ccco1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336237440 541427040 /nfs/dbraw/zinc/42/70/40/541427040.db2.gz LESFXDJWNHJGMN-SECBINFHSA-N 1 2 245.282 1.219 20 0 BDADLO O=C(Cc1ccco1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336237440 541427044 /nfs/dbraw/zinc/42/70/44/541427044.db2.gz LESFXDJWNHJGMN-SECBINFHSA-N 1 2 245.282 1.219 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncccn1)c1cnn(C)c1 ZINC000574413102 365057988 /nfs/dbraw/zinc/05/79/88/365057988.db2.gz GJGXZMQLMOGRLE-LLVKDONJSA-N 1 2 231.303 1.451 20 0 BDADLO Cc1cccc(CCSCc2nnn(C)n2)[nH+]1 ZINC000574453480 365065184 /nfs/dbraw/zinc/06/51/84/365065184.db2.gz PJUCWUJLMKBUAS-UHFFFAOYSA-N 1 2 249.343 1.389 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1ccoc1 ZINC000574464811 365069114 /nfs/dbraw/zinc/06/91/14/365069114.db2.gz UKMYMHSAEUQRRO-UHFFFAOYSA-N 1 2 233.271 1.355 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2ncccn2)c1 ZINC000574532867 365086600 /nfs/dbraw/zinc/08/66/00/365086600.db2.gz VIHWEUMAMUISMX-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000574749575 365133744 /nfs/dbraw/zinc/13/37/44/365133744.db2.gz LKFNMABPFIHHJX-WEDXCCLWSA-N 1 2 239.344 1.448 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442887069 193000910 /nfs/dbraw/zinc/00/09/10/193000910.db2.gz WJPRDIGBRZIVHZ-QMMMGPOBSA-N 1 2 249.236 1.649 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442887069 193000913 /nfs/dbraw/zinc/00/09/13/193000913.db2.gz WJPRDIGBRZIVHZ-QMMMGPOBSA-N 1 2 249.236 1.649 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000574773373 365143563 /nfs/dbraw/zinc/14/35/63/365143563.db2.gz XUUKDRMQUUHUNH-ZYHUDNBSSA-N 1 2 221.304 1.434 20 0 BDADLO CCN(CCO)c1[nH+]c2cccc(F)c2n1C ZINC000443407811 193019677 /nfs/dbraw/zinc/01/96/77/193019677.db2.gz IVGMTSMMEGHBHN-UHFFFAOYSA-N 1 2 237.278 1.531 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)CCS1 ZINC000171692244 365227631 /nfs/dbraw/zinc/22/76/31/365227631.db2.gz AZFIACWNPOVZKY-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)CCS1 ZINC000171692244 365227637 /nfs/dbraw/zinc/22/76/37/365227637.db2.gz AZFIACWNPOVZKY-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@H]1CCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000575763429 365358363 /nfs/dbraw/zinc/35/83/63/365358363.db2.gz TZDZJIZAWBFKBR-JTQLQIEISA-N 1 2 236.319 1.014 20 0 BDADLO COc1ccc[nH+]c1NCCc1cn[nH]c1 ZINC000379883563 365336632 /nfs/dbraw/zinc/33/66/32/365336632.db2.gz WETQQSGYQFEBDA-UHFFFAOYSA-N 1 2 218.260 1.468 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H](F)C1 ZINC000575876684 365400943 /nfs/dbraw/zinc/40/09/43/365400943.db2.gz GOFVERBHRYKCDG-SECBINFHSA-N 1 2 225.267 1.303 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)CO ZINC000575881322 365403922 /nfs/dbraw/zinc/40/39/22/365403922.db2.gz NLGLJYNLBOVVNR-SECBINFHSA-N 1 2 239.319 1.099 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000340217958 365481823 /nfs/dbraw/zinc/48/18/23/365481823.db2.gz FSWQQNOQGFXEQX-PWSUYJOCSA-N 1 2 240.347 1.154 20 0 BDADLO CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000340217958 365481827 /nfs/dbraw/zinc/48/18/27/365481827.db2.gz FSWQQNOQGFXEQX-PWSUYJOCSA-N 1 2 240.347 1.154 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000684086733 541475236 /nfs/dbraw/zinc/47/52/36/541475236.db2.gz JWKRCAHVWQVOEG-SNVBAGLBSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ncc[nH]1 ZINC000353643900 541484618 /nfs/dbraw/zinc/48/46/18/541484618.db2.gz LFPSYHHMVKJYQS-SKDRFNHKSA-N 1 2 249.289 1.933 20 0 BDADLO Cc1nnccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579718879 366990884 /nfs/dbraw/zinc/99/08/84/366990884.db2.gz XVBLCGQTUROWFJ-VIFPVBQESA-N 1 2 245.286 1.571 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1csnn1 ZINC000183186484 366993615 /nfs/dbraw/zinc/99/36/15/366993615.db2.gz LUFXAAGVDGKSGU-MRVPVSSYSA-N 1 2 243.332 1.312 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1csnn1 ZINC000183186484 366993619 /nfs/dbraw/zinc/99/36/19/366993619.db2.gz LUFXAAGVDGKSGU-MRVPVSSYSA-N 1 2 243.332 1.312 20 0 BDADLO C[C@@H](CC(=O)Nc1nccn1C)n1cc[nH+]c1 ZINC000579844730 367046315 /nfs/dbraw/zinc/04/63/15/367046315.db2.gz LGKUXGRCVJMCHV-VIFPVBQESA-N 1 2 233.275 1.206 20 0 BDADLO CCC[C@H](C)[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000579844268 367046768 /nfs/dbraw/zinc/04/67/68/367046768.db2.gz QVZMJTUMVCDGGR-GZMMTYOYSA-N 1 2 239.319 1.245 20 0 BDADLO CCN(c1cc[nH+]c(C(C)C)n1)[C@@H]1CCNC1=O ZINC000579913345 367075891 /nfs/dbraw/zinc/07/58/91/367075891.db2.gz FFCNYPCMQXHUKK-SNVBAGLBSA-N 1 2 248.330 1.315 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCOC(C)C)[C@@H](C)CC ZINC000183575074 367031376 /nfs/dbraw/zinc/03/13/76/367031376.db2.gz MKUBQMIGCBVQPV-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CC2 ZINC000622309066 370836653 /nfs/dbraw/zinc/83/66/53/370836653.db2.gz BPGWIERPCFBENN-VHSXEESVSA-N 1 2 219.288 1.188 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccsn1 ZINC000622309226 370836951 /nfs/dbraw/zinc/83/69/51/370836951.db2.gz JEDFDDXASJYIBR-MRVPVSSYSA-N 1 2 236.300 1.158 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000580719080 367149211 /nfs/dbraw/zinc/14/92/11/367149211.db2.gz NEXSVGXSZPXBSM-GARJFASQSA-N 1 2 237.303 1.128 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC1(F)F ZINC000622284198 370821965 /nfs/dbraw/zinc/82/19/65/370821965.db2.gz SLQAJNNWVSWAHB-SSDOTTSWSA-N 1 2 229.230 1.034 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccsn1 ZINC000622284272 370822445 /nfs/dbraw/zinc/82/24/45/370822445.db2.gz VZZGMXLHPLQBCH-UHFFFAOYSA-N 1 2 236.300 1.149 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CCCC1 ZINC000622291242 370825974 /nfs/dbraw/zinc/82/59/74/370825974.db2.gz FHTHSKQEYUFSIO-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CCCC1 ZINC000622291242 370825976 /nfs/dbraw/zinc/82/59/76/370825976.db2.gz FHTHSKQEYUFSIO-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000580896888 367201565 /nfs/dbraw/zinc/20/15/65/367201565.db2.gz TURCXPIWHCVLBT-VWYCJHECSA-N 1 2 221.304 1.606 20 0 BDADLO Cc1nc(N2CCC(=O)CC2)c2c([nH+]1)CCCC2 ZINC000581049938 367245837 /nfs/dbraw/zinc/24/58/37/367245837.db2.gz KRLZSRRHYYAAMC-UHFFFAOYSA-N 1 2 245.326 1.833 20 0 BDADLO CCn1ccnc1C[N@H+](C)[C@@H](C)COC ZINC000195514813 367365847 /nfs/dbraw/zinc/36/58/47/367365847.db2.gz ZCRFSSCOQNKFCX-JTQLQIEISA-N 1 2 211.309 1.370 20 0 BDADLO CCn1ccnc1C[N@@H+](C)[C@@H](C)COC ZINC000195514813 367365853 /nfs/dbraw/zinc/36/58/53/367365853.db2.gz ZCRFSSCOQNKFCX-JTQLQIEISA-N 1 2 211.309 1.370 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)C1(S(C)(=O)=O)CC1 ZINC000381234364 367367299 /nfs/dbraw/zinc/36/72/99/367367299.db2.gz LOPJMFLAAGOIIF-SECBINFHSA-N 1 2 240.328 1.459 20 0 BDADLO Cn1cncc1C[NH2+]Cc1ncccc1F ZINC000381595951 367434712 /nfs/dbraw/zinc/43/47/12/367434712.db2.gz LQABJTYNBDVPKZ-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO C[C@H]1CSC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000382438382 367522715 /nfs/dbraw/zinc/52/27/15/367522715.db2.gz QTMWZBADBOMJOZ-WDSKDSINSA-N 1 2 244.751 1.876 20 0 BDADLO C[C@H]1CSC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000382438382 367522718 /nfs/dbraw/zinc/52/27/18/367522718.db2.gz QTMWZBADBOMJOZ-WDSKDSINSA-N 1 2 244.751 1.876 20 0 BDADLO C[C@@H](CC(=O)NC1(C(F)F)CC1)n1cc[nH+]c1 ZINC000565483933 325918140 /nfs/dbraw/zinc/91/81/40/325918140.db2.gz SYYPBUGASWYXME-QMMMGPOBSA-N 1 2 243.257 1.748 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000440713908 201510599 /nfs/dbraw/zinc/51/05/99/201510599.db2.gz ODVXYMHQFZFFSP-NSHDSACASA-N 1 2 240.326 1.275 20 0 BDADLO Cc1cnc(CC(=O)NCc2[nH]cc[nH+]2)s1 ZINC000622366376 370871409 /nfs/dbraw/zinc/87/14/09/370871409.db2.gz ATVMSXBPFZFFEI-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1cc(NC(=O)c2ccsn2)cc[nH+]1 ZINC000622368512 370873221 /nfs/dbraw/zinc/87/32/21/370873221.db2.gz ZQABHQFYBZMNLP-UHFFFAOYSA-N 1 2 219.269 1.521 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)c1cccnc1 ZINC000622368379 370873375 /nfs/dbraw/zinc/87/33/75/370873375.db2.gz UUPMQWVURZQLKY-UHFFFAOYSA-N 1 2 230.271 1.400 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nccn1C(F)F ZINC000385671848 367852597 /nfs/dbraw/zinc/85/25/97/367852597.db2.gz NCJQEOMCCMARKY-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nccn1C(F)F ZINC000385671848 367852603 /nfs/dbraw/zinc/85/26/03/367852603.db2.gz NCJQEOMCCMARKY-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)no1 ZINC000385863622 367871486 /nfs/dbraw/zinc/87/14/86/367871486.db2.gz HUXPEKXAINOQDB-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)no1 ZINC000385863622 367871492 /nfs/dbraw/zinc/87/14/92/367871492.db2.gz HUXPEKXAINOQDB-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)o2)CCS1 ZINC000076071987 367998620 /nfs/dbraw/zinc/99/86/20/367998620.db2.gz CZBVRVCZEKOVDK-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)o2)CCS1 ZINC000076071987 367998625 /nfs/dbraw/zinc/99/86/25/367998625.db2.gz CZBVRVCZEKOVDK-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1cc(N[C@H]2CC23CCOCC3)nc[nH+]1 ZINC000387382498 368164421 /nfs/dbraw/zinc/16/44/21/368164421.db2.gz YTSKAJLPLYHERW-JTQLQIEISA-N 1 2 219.288 1.766 20 0 BDADLO CC[C@H](O)CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000566365377 326037934 /nfs/dbraw/zinc/03/79/34/326037934.db2.gz RZHBDLILLRCUEF-VIFPVBQESA-N 1 2 239.319 1.230 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]1C1CC1 ZINC000615684941 368202818 /nfs/dbraw/zinc/20/28/18/368202818.db2.gz LGYVUFBRNBSFIJ-MFKMUULPSA-N 1 2 245.326 1.526 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]1C1CC1 ZINC000615684941 368202822 /nfs/dbraw/zinc/20/28/22/368202822.db2.gz LGYVUFBRNBSFIJ-MFKMUULPSA-N 1 2 245.326 1.526 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000615697537 368210545 /nfs/dbraw/zinc/21/05/45/368210545.db2.gz VNVXROHGNOYSGI-FBIMIBRVSA-N 1 2 233.315 1.438 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615677641 368220367 /nfs/dbraw/zinc/22/03/67/368220367.db2.gz SXRQCCXANPFXJD-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615677641 368220369 /nfs/dbraw/zinc/22/03/69/368220369.db2.gz SXRQCCXANPFXJD-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CC1(C)C[N@H+](Cc2cn3ccccc3n2)CCO1 ZINC000078291173 368340435 /nfs/dbraw/zinc/34/04/35/368340435.db2.gz GXLOIFATDHVVBU-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)C[N@@H+](Cc2cn3ccccc3n2)CCO1 ZINC000078291173 368340438 /nfs/dbraw/zinc/34/04/38/368340438.db2.gz GXLOIFATDHVVBU-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H](C)F ZINC000454333570 202811426 /nfs/dbraw/zinc/81/14/26/202811426.db2.gz DELAPTYPSJKUNT-VHSXEESVSA-N 1 2 242.298 1.319 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)N1CCC1 ZINC000043477776 368402781 /nfs/dbraw/zinc/40/27/81/368402781.db2.gz FYQBBWPZEKGZOH-UHFFFAOYSA-N 1 2 230.271 1.250 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)NCC1CC1 ZINC000045571552 368429274 /nfs/dbraw/zinc/42/92/74/368429274.db2.gz CBNCBPNWDDAAFK-UHFFFAOYSA-N 1 2 234.303 1.203 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)NCC1CCC1 ZINC000047500415 368463288 /nfs/dbraw/zinc/46/32/88/368463288.db2.gz ROFDNOSGEZXZCD-UHFFFAOYSA-N 1 2 248.330 1.593 20 0 BDADLO CCC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000057516727 368495532 /nfs/dbraw/zinc/49/55/32/368495532.db2.gz JPEPYLNHEQJKAC-UHFFFAOYSA-N 1 2 235.331 1.954 20 0 BDADLO CCCN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000057617388 368495767 /nfs/dbraw/zinc/49/57/67/368495767.db2.gz MIHURAMBRFAIOQ-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO CC(C)CC(=O)NCCNc1cccc[nH+]1 ZINC000063707264 368593589 /nfs/dbraw/zinc/59/35/89/368593589.db2.gz HWWPUEBYXLTQEM-UHFFFAOYSA-N 1 2 221.304 1.656 20 0 BDADLO Cc1scc(CNc2nc(C)[nH+]c(N)n2)c1C ZINC000399818123 368604564 /nfs/dbraw/zinc/60/45/64/368604564.db2.gz SENVFHDRDQFPLD-UHFFFAOYSA-N 1 2 249.343 1.305 20 0 BDADLO Cc1scc(CNc2nc(N)nc(C)[nH+]2)c1C ZINC000399818123 368604568 /nfs/dbraw/zinc/60/45/68/368604568.db2.gz SENVFHDRDQFPLD-UHFFFAOYSA-N 1 2 249.343 1.305 20 0 BDADLO CC[N@H+](CCOC)CC(=O)OC(C)(C)C ZINC000064795244 368613296 /nfs/dbraw/zinc/61/32/96/368613296.db2.gz PVFNUOPKNCSTQX-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CC[N@@H+](CCOC)CC(=O)OC(C)(C)C ZINC000064795244 368613300 /nfs/dbraw/zinc/61/33/00/368613300.db2.gz PVFNUOPKNCSTQX-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO c1cn(C2CCN(c3ncccn3)CC2)c[nH+]1 ZINC000067447979 368688711 /nfs/dbraw/zinc/68/87/11/368688711.db2.gz FKWPZANELUBRPL-UHFFFAOYSA-N 1 2 229.287 1.515 20 0 BDADLO CSCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457289462 203033776 /nfs/dbraw/zinc/03/37/76/203033776.db2.gz KYSWAPUKSZTBSX-UHFFFAOYSA-N 1 2 245.373 1.506 20 0 BDADLO CCc1nocc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000615954529 368770576 /nfs/dbraw/zinc/77/05/76/368770576.db2.gz QIGXLZQGUZPJSU-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH+]ccn2C)on1 ZINC000072788906 368781060 /nfs/dbraw/zinc/78/10/60/368781060.db2.gz YOGHAOJITPMUCK-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCc1ccccc1F ZINC000073180320 368798327 /nfs/dbraw/zinc/79/83/27/368798327.db2.gz FHQKWTKCVGKBJD-UHFFFAOYSA-N 1 2 247.273 1.381 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000615963940 368798897 /nfs/dbraw/zinc/79/88/97/368798897.db2.gz UHLLVMNDNIDEQH-DOLQZWNJSA-N 1 2 219.288 1.661 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)C(C)(C)C ZINC000114473938 368941634 /nfs/dbraw/zinc/94/16/34/368941634.db2.gz ALFYDRJPQSCREI-SECBINFHSA-N 1 2 248.330 1.547 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(C)(C)C ZINC000616111041 368957317 /nfs/dbraw/zinc/95/73/17/368957317.db2.gz AILJKOOZUOTNBE-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@]1(NC(=O)NCCn2cc[nH+]c2)CC=CCC1 ZINC000457467236 203066859 /nfs/dbraw/zinc/06/68/59/203066859.db2.gz MQTPZMFBXLEUDH-CYBMUJFWSA-N 1 2 248.330 1.681 20 0 BDADLO CCC[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457846915 203111802 /nfs/dbraw/zinc/11/18/02/203111802.db2.gz CHNFGJARJTZPSL-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO CCn1ncc(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000618442336 369147607 /nfs/dbraw/zinc/14/76/07/369147607.db2.gz ZYPWVXYFFBWUMU-UHFFFAOYSA-N 1 2 247.302 1.437 20 0 BDADLO CCn1ncc(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC000618438460 369145562 /nfs/dbraw/zinc/14/55/62/369145562.db2.gz OVHGBDGQFJIFCM-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457845970 203111539 /nfs/dbraw/zinc/11/15/39/203111539.db2.gz BFEWPCYFTYCSFY-MNOVXSKESA-N 1 2 235.331 1.515 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccon1 ZINC000055054412 369184039 /nfs/dbraw/zinc/18/40/39/369184039.db2.gz UEVPWMFAHJFZIE-UHFFFAOYSA-N 1 2 249.270 1.647 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccon1 ZINC000055054412 369184045 /nfs/dbraw/zinc/18/40/45/369184045.db2.gz UEVPWMFAHJFZIE-UHFFFAOYSA-N 1 2 249.270 1.647 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCCC1CCC1 ZINC000618614057 369185170 /nfs/dbraw/zinc/18/51/70/369185170.db2.gz HQKAEIPQYQCQJE-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO C[C@H]1C[NH+](Cc2cnc(C3CC3)nc2)C[C@H](C)O1 ZINC000459284651 203248584 /nfs/dbraw/zinc/24/85/84/203248584.db2.gz TXKUXLOHDHUOBG-QWRGUYRKSA-N 1 2 247.342 1.963 20 0 BDADLO Cc1nc(C[N@@H+](C)C2CC(OC(C)C)C2)no1 ZINC000459393830 203273385 /nfs/dbraw/zinc/27/33/85/203273385.db2.gz FWNZVLBRGZLANN-UHFFFAOYSA-N 1 2 239.319 1.766 20 0 BDADLO Cc1nc(C[N@H+](C)C2CC(OC(C)C)C2)no1 ZINC000459393830 203273388 /nfs/dbraw/zinc/27/33/88/203273388.db2.gz FWNZVLBRGZLANN-UHFFFAOYSA-N 1 2 239.319 1.766 20 0 BDADLO C[N@H+](CCn1cc(Cl)cn1)Cc1cc[nH]n1 ZINC000459344839 203264673 /nfs/dbraw/zinc/26/46/73/203264673.db2.gz NCQKGPYNEKGMFQ-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO C[N@@H+](CCn1cc(Cl)cn1)Cc1cc[nH]n1 ZINC000459344839 203264676 /nfs/dbraw/zinc/26/46/76/203264676.db2.gz NCQKGPYNEKGMFQ-UHFFFAOYSA-N 1 2 239.710 1.392 20 0 BDADLO COCCOC1C[NH+](Cc2ccc(F)cc2)C1 ZINC000459472343 203287259 /nfs/dbraw/zinc/28/72/59/203287259.db2.gz WAOQCVPQISLSGR-UHFFFAOYSA-N 1 2 239.290 1.673 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000459483646 203289592 /nfs/dbraw/zinc/28/95/92/203289592.db2.gz GCRHPQRKBPKJMM-HTQZYQBOSA-N 1 2 239.275 1.087 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000459483646 203289594 /nfs/dbraw/zinc/28/95/94/203289594.db2.gz GCRHPQRKBPKJMM-HTQZYQBOSA-N 1 2 239.275 1.087 20 0 BDADLO COCCCOC1C[NH+](Cc2ccncc2)C1 ZINC000459599244 203306326 /nfs/dbraw/zinc/30/63/26/203306326.db2.gz XGCFYLKYLRNRCW-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO Cn1c2ccccc2nc1C[NH+]1CC(CCO)C1 ZINC000459598253 203312554 /nfs/dbraw/zinc/31/25/54/203312554.db2.gz WBYFLSVQJXZPNS-UHFFFAOYSA-N 1 2 245.326 1.388 20 0 BDADLO CC[C@](COC)([NH2+]CCC1CC1)C(=O)OC ZINC000459561820 203300848 /nfs/dbraw/zinc/30/08/48/203300848.db2.gz SUXCUXZIWSLPTH-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO CC[C@](COC)([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000459567078 203303661 /nfs/dbraw/zinc/30/36/61/203303661.db2.gz ZXQHHSUFNWOUOP-MWLCHTKSSA-N 1 2 235.299 1.292 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(CO)C2)cc1F ZINC000459616956 203316059 /nfs/dbraw/zinc/31/60/59/203316059.db2.gz AEKJPRZBXSZYME-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO CCCn1cc(C[NH+]2CC(C)(CO)C2)cn1 ZINC000459618355 203319854 /nfs/dbraw/zinc/31/98/54/203319854.db2.gz DUTXAKADEYZAGG-UHFFFAOYSA-N 1 2 223.320 1.107 20 0 BDADLO COCC1(C)C[NH+](Cc2c(Cl)cnn2C)C1 ZINC000459623510 203320767 /nfs/dbraw/zinc/32/07/67/203320767.db2.gz QFQZPEQUKWFKEM-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO Cn1ccc(C[NH+]2CC(OC(F)F)C2)c1 ZINC000459632716 203325138 /nfs/dbraw/zinc/32/51/38/203325138.db2.gz SWKSNUXEEDLAOU-UHFFFAOYSA-N 1 2 216.231 1.449 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000259932744 370956530 /nfs/dbraw/zinc/95/65/30/370956530.db2.gz HTMFUFKBVULHGU-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cccnc1 ZINC000259932744 370956539 /nfs/dbraw/zinc/95/65/39/370956539.db2.gz HTMFUFKBVULHGU-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC1CC[NH+](Cc2nnc(CC)o2)CC1 ZINC000060485257 369487654 /nfs/dbraw/zinc/48/76/54/369487654.db2.gz JRXBFRQKOSOLAI-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000459743810 203352206 /nfs/dbraw/zinc/35/22/06/203352206.db2.gz QEOSDJWBPKMTSL-MNOVXSKESA-N 1 2 209.293 1.375 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OCC ZINC000459782352 203367969 /nfs/dbraw/zinc/36/79/69/203367969.db2.gz URPFRRUQMBLLRE-UTUOFQBUSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069862392 370990986 /nfs/dbraw/zinc/99/09/86/370990986.db2.gz FLRXCUFGXJYNAQ-IUCAKERBSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C(C)C)C2CC2)c[nH+]1 ZINC000620040948 369683656 /nfs/dbraw/zinc/68/36/56/369683656.db2.gz HDQUNNGZFWSHGV-NSHDSACASA-N 1 2 221.304 1.883 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000620074074 369707448 /nfs/dbraw/zinc/70/74/48/369707448.db2.gz AMIPPOIWMPSUEB-LLVKDONJSA-N 1 2 207.277 1.188 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC1(C)C ZINC000620074949 369708491 /nfs/dbraw/zinc/70/84/91/369708491.db2.gz NUMDQTBLRNBBGZ-RULNRJAQSA-N 1 2 247.342 1.828 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC1(C)C ZINC000620086425 369727110 /nfs/dbraw/zinc/72/71/10/369727110.db2.gz ARNUPYHDOXCUAP-TVQRCGJNSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC1(C)C ZINC000620086425 369727113 /nfs/dbraw/zinc/72/71/13/369727113.db2.gz ARNUPYHDOXCUAP-TVQRCGJNSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](CC(=O)N1CCC2(COC2)C1)n1cc[nH+]c1 ZINC000620287659 369805611 /nfs/dbraw/zinc/80/56/11/369805611.db2.gz SKALZTRAVBGJOA-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603228 369950377 /nfs/dbraw/zinc/95/03/77/369950377.db2.gz ITLVYIQBRUMEHE-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO C[C@@H](NC(=O)c1cncc(F)c1)c1[nH+]ccn1C ZINC000620603071 369950458 /nfs/dbraw/zinc/95/04/58/369950458.db2.gz HBGHLJSWWUHBOQ-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)C1CC1)c1[nH+]ccn1C ZINC000620603161 369950548 /nfs/dbraw/zinc/95/05/48/369950548.db2.gz ICXCVOSFLOZWPD-DTWKUNHWSA-N 1 2 221.304 1.643 20 0 BDADLO C[C@H](NC(=O)C1(C)CC1)c1[nH+]ccn1C ZINC000620603196 369950567 /nfs/dbraw/zinc/95/05/67/369950567.db2.gz IKJMKIPLPIBLJY-QMMMGPOBSA-N 1 2 207.277 1.397 20 0 BDADLO C[C@@H](NC(=O)CCC(F)(F)F)c1[nH+]ccn1C ZINC000620601770 369950704 /nfs/dbraw/zinc/95/07/04/369950704.db2.gz ZIEKALKVIWMSHZ-SSDOTTSWSA-N 1 2 249.236 1.940 20 0 BDADLO C[C@H](NC(=O)C1(C)CCC1)c1[nH+]ccn1C ZINC000620603836 369951490 /nfs/dbraw/zinc/95/14/90/369951490.db2.gz NTNBFPUNSXZUMR-VIFPVBQESA-N 1 2 221.304 1.788 20 0 BDADLO CCn1nccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603397 369951872 /nfs/dbraw/zinc/95/18/72/369951872.db2.gz HMNSKDZPGBIFPG-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604663 369953546 /nfs/dbraw/zinc/95/35/46/369953546.db2.gz URLWSYBSVXVJSX-GARJFASQSA-N 1 2 235.331 1.889 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)C(F)F)c1[nH+]ccn1C ZINC000620606494 369953881 /nfs/dbraw/zinc/95/38/81/369953881.db2.gz UQVGEDDGFSVAEX-SSDOTTSWSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CC1(F)F)c1[nH+]ccn1C ZINC000620612222 369957991 /nfs/dbraw/zinc/95/79/91/369957991.db2.gz RYADMZPMQRYKCX-XCBNKYQSSA-N 1 2 243.257 1.643 20 0 BDADLO Cc1cn2ccc(NC(=O)C3(C)COC3)cc2[nH+]1 ZINC000620651513 369972222 /nfs/dbraw/zinc/97/22/22/369972222.db2.gz OSQSDNRVXCNDSB-UHFFFAOYSA-N 1 2 245.282 1.618 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620648794 369972724 /nfs/dbraw/zinc/97/27/24/369972724.db2.gz KVEHFDXRCAQLSI-SECBINFHSA-N 1 2 233.271 1.616 20 0 BDADLO C[C@H](NC(=O)c1ccsc1)c1[nH+]ccn1C ZINC000620592204 369945164 /nfs/dbraw/zinc/94/51/64/369945164.db2.gz JPQQQNFGDQDESJ-QMMMGPOBSA-N 1 2 235.312 1.973 20 0 BDADLO CC(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000074859401 370048296 /nfs/dbraw/zinc/04/82/96/370048296.db2.gz YRHSXJWCZREJON-UHFFFAOYSA-N 1 2 203.245 1.929 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccnc(C)c1 ZINC000621242454 370174992 /nfs/dbraw/zinc/17/49/92/370174992.db2.gz KDUWNZKYKWHBHP-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccnc(C)c1 ZINC000621242454 370174997 /nfs/dbraw/zinc/17/49/97/370174997.db2.gz KDUWNZKYKWHBHP-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CC[C@H](F)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000308568939 370145415 /nfs/dbraw/zinc/14/54/15/370145415.db2.gz BLCDJWBYFYILSN-SVRRBLITSA-N 1 2 201.245 1.777 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)O ZINC000309833335 370267540 /nfs/dbraw/zinc/26/75/40/370267540.db2.gz ZFBASCYUIOCABZ-QMMMGPOBSA-N 1 2 221.304 1.925 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC000076402808 370280384 /nfs/dbraw/zinc/28/03/84/370280384.db2.gz NTAGTJRUHIXQPK-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC000076402808 370280387 /nfs/dbraw/zinc/28/03/87/370280387.db2.gz NTAGTJRUHIXQPK-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)no1 ZINC000621371979 370309961 /nfs/dbraw/zinc/30/99/61/370309961.db2.gz NBRRKTZFOUSJQP-WCABBAIRSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](CO)C2)no1 ZINC000621371979 370309963 /nfs/dbraw/zinc/30/99/63/370309963.db2.gz NBRRKTZFOUSJQP-WCABBAIRSA-N 1 2 239.319 1.389 20 0 BDADLO C[S@](=O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000112558353 370323980 /nfs/dbraw/zinc/32/39/80/370323980.db2.gz UQDGYNNMABGXLZ-MRXNPFEDSA-N 1 2 239.344 1.535 20 0 BDADLO NC(=O)CC[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000112617069 370334671 /nfs/dbraw/zinc/33/46/71/370334671.db2.gz DGFNHCIYJNCIFK-QMMMGPOBSA-N 1 2 220.263 1.229 20 0 BDADLO NC(=O)CC[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112617069 370334677 /nfs/dbraw/zinc/33/46/77/370334677.db2.gz DGFNHCIYJNCIFK-QMMMGPOBSA-N 1 2 220.263 1.229 20 0 BDADLO O=C1C[N@H+](CCOC2CCCCCC2)CCN1 ZINC000077247191 370403079 /nfs/dbraw/zinc/40/30/79/370403079.db2.gz WHOZFKXUQSNYIY-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO O=C1C[N@@H+](CCOC2CCCCCC2)CCN1 ZINC000077247191 370403084 /nfs/dbraw/zinc/40/30/84/370403084.db2.gz WHOZFKXUQSNYIY-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC(C)(C)C1 ZINC000621712513 370459376 /nfs/dbraw/zinc/45/93/76/370459376.db2.gz FFBWXWXNBGXXIE-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC(C)(C)C1 ZINC000621712513 370459381 /nfs/dbraw/zinc/45/93/81/370459381.db2.gz FFBWXWXNBGXXIE-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nccnc1C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000621722467 370473759 /nfs/dbraw/zinc/47/37/59/370473759.db2.gz XZMWMZXJBSLDJC-CQSZACIVSA-N 1 2 248.374 1.557 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000621722467 370473764 /nfs/dbraw/zinc/47/37/64/370473764.db2.gz XZMWMZXJBSLDJC-CQSZACIVSA-N 1 2 248.374 1.557 20 0 BDADLO CCc1cc(NC[C@](C)(O)CSC)nc[nH+]1 ZINC000078022503 370516140 /nfs/dbraw/zinc/51/61/40/370516140.db2.gz KIMHUOLKEABNSV-NSHDSACASA-N 1 2 241.360 1.565 20 0 BDADLO Cc1ccc2c(c1)C(=O)N(C)[C@H](c1c[nH]c[nH+]1)N2 ZINC000078763946 370597148 /nfs/dbraw/zinc/59/71/48/370597148.db2.gz DWCOHTGPOTXLQB-GFCCVEGCSA-N 1 2 242.282 1.914 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]cc2C)c(C)[nH]1 ZINC000621861043 370569511 /nfs/dbraw/zinc/56/95/11/370569511.db2.gz NZCACOMCSPCNBT-UHFFFAOYSA-N 1 2 230.271 1.404 20 0 BDADLO CC(C)(C(=O)Nc1cnns1)c1c[nH+]c[nH]1 ZINC000621964867 370625242 /nfs/dbraw/zinc/62/52/42/370625242.db2.gz UZSDLNJGZKZEOY-UHFFFAOYSA-N 1 2 237.288 1.178 20 0 BDADLO CC(C)(C(=O)Nc1cnns1)c1c[nH]c[nH+]1 ZINC000621964867 370625245 /nfs/dbraw/zinc/62/52/45/370625245.db2.gz UZSDLNJGZKZEOY-UHFFFAOYSA-N 1 2 237.288 1.178 20 0 BDADLO CC(C)(C(=O)N1CC(F)(F)C1)c1c[nH+]c[nH]1 ZINC000621947346 370614561 /nfs/dbraw/zinc/61/45/61/370614561.db2.gz SHZMMAPUHDCCKQ-UHFFFAOYSA-N 1 2 229.230 1.165 20 0 BDADLO CC(C)(CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000390366543 371196184 /nfs/dbraw/zinc/19/61/84/371196184.db2.gz UKHOOHFKRNQLFC-UHFFFAOYSA-N 1 2 219.288 1.423 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn(C)nn2)cc1F ZINC000389812185 371176038 /nfs/dbraw/zinc/17/60/38/371176038.db2.gz HLQBFCCEFOCDNM-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000390814757 371234791 /nfs/dbraw/zinc/23/47/91/371234791.db2.gz HRQFSCSRNBFIJH-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO CCCCc1cc(NCCOCC)nc[nH+]1 ZINC000631067147 371271469 /nfs/dbraw/zinc/27/14/69/371271469.db2.gz UXNWHHMHIHWBHO-UHFFFAOYSA-N 1 2 223.320 1.690 20 0 BDADLO CCc1cc(C[NH2+]Cc2cc(C)no2)on1 ZINC000631077063 371395466 /nfs/dbraw/zinc/39/54/66/371395466.db2.gz CFRDULWKPOUDRA-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO CCc1cc(NC[C@H](O)C(C)C)nc[nH+]1 ZINC000125651047 371370826 /nfs/dbraw/zinc/37/08/26/371370826.db2.gz NJFNKRCEHSLKNY-JTQLQIEISA-N 1 2 209.293 1.468 20 0 BDADLO CN(C(=O)C[N@H+](C)Cc1ccsc1)C1CC1 ZINC000125682924 371377072 /nfs/dbraw/zinc/37/70/72/371377072.db2.gz HFNREJDBPVYKSK-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CN(C(=O)C[N@@H+](C)Cc1ccsc1)C1CC1 ZINC000125682924 371377079 /nfs/dbraw/zinc/37/70/79/371377079.db2.gz HFNREJDBPVYKSK-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CCSCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000282363112 371460970 /nfs/dbraw/zinc/46/09/70/371460970.db2.gz XPRCMIQIHPRBEA-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO CCSCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000282363112 371460977 /nfs/dbraw/zinc/46/09/77/371460977.db2.gz XPRCMIQIHPRBEA-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO O=C(CCn1cccc1)N1CCc2[nH]c[nH+]c2C1 ZINC000627368731 371585158 /nfs/dbraw/zinc/58/51/58/371585158.db2.gz BIFIBUALLURENO-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO O=C(CCn1cccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000627368731 371585164 /nfs/dbraw/zinc/58/51/64/371585164.db2.gz BIFIBUALLURENO-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO CCO[C@H](CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627366253 371585245 /nfs/dbraw/zinc/58/52/45/371585245.db2.gz MKXYMAMPKYVGQK-LLVKDONJSA-N 1 2 237.303 1.110 20 0 BDADLO CCO[C@H](CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627366253 371585249 /nfs/dbraw/zinc/58/52/49/371585249.db2.gz MKXYMAMPKYVGQK-LLVKDONJSA-N 1 2 237.303 1.110 20 0 BDADLO O=C(c1cncc(F)c1)N1CCc2[nH]c[nH+]c2C1 ZINC000627369483 371588226 /nfs/dbraw/zinc/58/82/26/371588226.db2.gz VHIRGGKLTSCBHU-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO O=C(c1cncc(F)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000627369483 371588229 /nfs/dbraw/zinc/58/82/29/371588229.db2.gz VHIRGGKLTSCBHU-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627374355 371591798 /nfs/dbraw/zinc/59/17/98/371591798.db2.gz RMYMVTIKKCVZGF-VIFPVBQESA-N 1 2 233.315 1.731 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627374355 371591803 /nfs/dbraw/zinc/59/18/03/371591803.db2.gz RMYMVTIKKCVZGF-VIFPVBQESA-N 1 2 233.315 1.731 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ncoc1C ZINC000131486293 371610824 /nfs/dbraw/zinc/61/08/24/371610824.db2.gz JEKSURGRNYHWGG-UHFFFAOYSA-N 1 2 233.227 1.639 20 0 BDADLO Cc1nc(N2CCC[C@H]2CC(C)(C)C)nc(N)[nH+]1 ZINC000631083228 371817694 /nfs/dbraw/zinc/81/76/94/371817694.db2.gz KRPFFILLXHXYBE-JTQLQIEISA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H]2CC(C)(C)C)[nH+]1 ZINC000631083228 371817702 /nfs/dbraw/zinc/81/77/02/371817702.db2.gz KRPFFILLXHXYBE-JTQLQIEISA-N 1 2 249.362 1.998 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCOCC1 ZINC000282704109 181834833 /nfs/dbraw/zinc/83/48/33/181834833.db2.gz BBUDQXMWQWETGM-FSIBCCDJSA-N 1 2 235.287 1.108 20 0 BDADLO Cc1nc(N[C@H]2CCOC3(CCC3)C2)nc(N)[nH+]1 ZINC000631169349 372215121 /nfs/dbraw/zinc/21/51/21/372215121.db2.gz DWQDVZBHUHELEJ-VIFPVBQESA-N 1 2 249.318 1.106 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000631169349 372215128 /nfs/dbraw/zinc/21/51/28/372215128.db2.gz DWQDVZBHUHELEJ-VIFPVBQESA-N 1 2 249.318 1.106 20 0 BDADLO COc1nccnc1C[NH2+]CC(C)(C)F ZINC000631189261 372224387 /nfs/dbraw/zinc/22/43/87/372224387.db2.gz RBJLDOQQCMRNAN-UHFFFAOYSA-N 1 2 213.256 1.323 20 0 BDADLO FCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631261660 372267649 /nfs/dbraw/zinc/26/76/49/372267649.db2.gz JGOCHIQXUFOZEE-UHFFFAOYSA-N 1 2 220.251 1.639 20 0 BDADLO CCc1cc(NCC(C)(C)n2cc[nH+]c2)ncn1 ZINC000631368793 372318331 /nfs/dbraw/zinc/31/83/31/372318331.db2.gz UVHJADPBPIRLOG-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@H](C)O[C@H]1C ZINC000631465000 372378565 /nfs/dbraw/zinc/37/85/65/372378565.db2.gz PHWPMEIHGNLLRZ-UJNFCWOMSA-N 1 2 237.303 1.771 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000631703396 372513104 /nfs/dbraw/zinc/51/31/04/372513104.db2.gz OTBRTQLAHQGZCG-ZOWUKKRWSA-N 1 2 223.320 1.935 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](F)C1 ZINC000360350316 181942198 /nfs/dbraw/zinc/94/21/98/181942198.db2.gz BFAXSYLRWYPCHN-DTWKUNHWSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171669327 372726731 /nfs/dbraw/zinc/72/67/31/372726731.db2.gz FTHWMUIJQSYDHR-JTQLQIEISA-N 1 2 246.301 1.490 20 0 BDADLO O=C(NCC1CC1)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000171669327 372726737 /nfs/dbraw/zinc/72/67/37/372726737.db2.gz FTHWMUIJQSYDHR-JTQLQIEISA-N 1 2 246.301 1.490 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)c(C)c[nH+]1 ZINC000632023981 372729035 /nfs/dbraw/zinc/72/90/35/372729035.db2.gz ZRMFDHCPNALSIH-QJPTWQEYSA-N 1 2 248.326 1.872 20 0 BDADLO CC[C@@H](NC(=O)c1nocc1C)c1[nH]cc[nH+]1 ZINC000632509966 372978963 /nfs/dbraw/zinc/97/89/63/372978963.db2.gz TVRBNGJJMXIGHU-MRVPVSSYSA-N 1 2 234.259 1.587 20 0 BDADLO CCO[C@H]1C[C@H](O)C12CC[NH+](CC(F)F)CC2 ZINC000172588683 373018355 /nfs/dbraw/zinc/01/83/55/373018355.db2.gz CMYFPHJLOKRSED-UWVGGRQHSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000172590394 373018571 /nfs/dbraw/zinc/01/85/71/373018571.db2.gz IOWUCVYKNLXXHK-SECBINFHSA-N 1 2 231.361 1.765 20 0 BDADLO C[C@@H]1CSCC[N@H+]1CC(=O)OC(C)(C)C ZINC000172590394 373018577 /nfs/dbraw/zinc/01/85/77/373018577.db2.gz IOWUCVYKNLXXHK-SECBINFHSA-N 1 2 231.361 1.765 20 0 BDADLO O=C(Cc1ccoc1)NCCNc1cccc[nH+]1 ZINC000361276839 182057093 /nfs/dbraw/zinc/05/70/93/182057093.db2.gz NQHMTAJEMUPSFX-UHFFFAOYSA-N 1 2 245.282 1.445 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2ccccc21 ZINC000010809277 182071129 /nfs/dbraw/zinc/07/11/29/182071129.db2.gz AEDYYHNFTHGVJR-UHFFFAOYSA-N 1 2 227.267 1.472 20 0 BDADLO Cc1nc(N[C@H]2CCCC(C)(C)C2)nc(N)[nH+]1 ZINC000379841223 373073019 /nfs/dbraw/zinc/07/30/19/373073019.db2.gz BSPKNHKERRYNGB-VIFPVBQESA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCCC(C)(C)C2)[nH+]1 ZINC000379841223 373073027 /nfs/dbraw/zinc/07/30/27/373073027.db2.gz BSPKNHKERRYNGB-VIFPVBQESA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@@H](C)CS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632750233 373126264 /nfs/dbraw/zinc/12/62/64/373126264.db2.gz UCMOVJMGINYGJC-SECBINFHSA-N 1 2 245.348 1.217 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632928132 373224271 /nfs/dbraw/zinc/22/42/71/373224271.db2.gz OXPZLOOIPDHEEC-ZJUUUORDSA-N 1 2 238.335 1.986 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)C12CCC(CC1)C2 ZINC000358164013 182083293 /nfs/dbraw/zinc/08/32/93/182083293.db2.gz JHJKPJOLWGXOMW-UHFFFAOYSA-N 1 2 245.326 1.806 20 0 BDADLO CCC1(CNC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000633072030 373285473 /nfs/dbraw/zinc/28/54/73/373285473.db2.gz LKVCSNLLHIAKMO-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO O=C(NC1C[NH+](Cc2ccccc2)C1)C1CC1 ZINC000297384510 182117543 /nfs/dbraw/zinc/11/75/43/182117543.db2.gz JXWZBJBECNWICE-UHFFFAOYSA-N 1 2 230.311 1.397 20 0 BDADLO O=C(NCC1CC1)C1CC[NH+](CC(F)F)CC1 ZINC000358107855 182136371 /nfs/dbraw/zinc/13/63/71/182136371.db2.gz HZTHEWBPRGBEEI-UHFFFAOYSA-N 1 2 246.301 1.490 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)F ZINC000633721533 373711993 /nfs/dbraw/zinc/71/19/93/373711993.db2.gz ZTKYYXXVQXYFPA-RKDXNWHRSA-N 1 2 239.294 1.388 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C1CC=CC1 ZINC000152083276 182169746 /nfs/dbraw/zinc/16/97/46/182169746.db2.gz VIFGXKAXHZZJQX-UHFFFAOYSA-N 1 2 245.326 1.966 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC12CC2 ZINC000633777199 373747423 /nfs/dbraw/zinc/74/74/23/373747423.db2.gz GVGSOXXVOFKEBR-SNVBAGLBSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000162669703 182177565 /nfs/dbraw/zinc/17/75/65/182177565.db2.gz OGUFGXMKTIXEEG-UHFFFAOYSA-N 1 2 247.342 1.826 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccncc1F ZINC000130605243 182179342 /nfs/dbraw/zinc/17/93/42/182179342.db2.gz NUHYQMMAZPQLOR-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1cccnc1F ZINC000229916385 182179430 /nfs/dbraw/zinc/17/94/30/182179430.db2.gz OVTDKSLHOYHSDX-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO CCC[C@@H](CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000633829636 373782255 /nfs/dbraw/zinc/78/22/55/373782255.db2.gz FWCDQERIQKNYHJ-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@@H](CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000633829636 373782266 /nfs/dbraw/zinc/78/22/66/373782266.db2.gz FWCDQERIQKNYHJ-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)Nc1ccncc1 ZINC000042898046 182176657 /nfs/dbraw/zinc/17/66/57/182176657.db2.gz SQKHWUHYNULJKK-UHFFFAOYSA-N 1 2 245.286 1.490 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CCCCO1 ZINC000269377149 182188834 /nfs/dbraw/zinc/18/88/34/182188834.db2.gz FUFOKXOFDVHFNX-LLVKDONJSA-N 1 2 249.314 1.179 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@H](C)O1 ZINC000634025117 373909273 /nfs/dbraw/zinc/90/92/73/373909273.db2.gz CRPOHBOHPPQUET-OUAUKWLOSA-N 1 2 240.347 1.010 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NCC1(C2CC2)CC1 ZINC000132546051 182214846 /nfs/dbraw/zinc/21/48/46/182214846.db2.gz ZTXQJVPFDSXULU-UHFFFAOYSA-N 1 2 248.330 1.373 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1Cc2ccccc21 ZINC000358033189 182214893 /nfs/dbraw/zinc/21/48/93/182214893.db2.gz KKEFEULPAQWKLR-CYBMUJFWSA-N 1 2 241.294 1.339 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC=CCC1 ZINC000077537259 182215623 /nfs/dbraw/zinc/21/56/23/182215623.db2.gz QETRHMOGCKBIJV-LLVKDONJSA-N 1 2 234.303 1.291 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCC(F)(F)C1 ZINC000359250194 182216410 /nfs/dbraw/zinc/21/64/10/182216410.db2.gz ITNHPOTZBORORI-VIFPVBQESA-N 1 2 243.257 1.435 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ncoc1C1CC1 ZINC000293645666 182217605 /nfs/dbraw/zinc/21/76/05/182217605.db2.gz XTVXQDKCJHVBPB-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO Cc1cc(C)c(Cn2c(=O)ccn2C)c(C)[nH+]1 ZINC000634550038 374306664 /nfs/dbraw/zinc/30/66/64/374306664.db2.gz MUWQTFWRVXXFJG-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc2c[nH]nc21 ZINC000359676295 182270096 /nfs/dbraw/zinc/27/00/96/182270096.db2.gz FILLMHKUXVEJHJ-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc2c[nH]nc21 ZINC000359676295 182270099 /nfs/dbraw/zinc/27/00/99/182270099.db2.gz FILLMHKUXVEJHJ-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NN1CCCC1)c1ccc2[nH+]ccn2c1 ZINC000283001060 182277018 /nfs/dbraw/zinc/27/70/18/182277018.db2.gz VNQSHPIHSOUEHT-UHFFFAOYSA-N 1 2 230.271 1.075 20 0 BDADLO O=C(N[C@@H]1CCCOC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366555700 182294889 /nfs/dbraw/zinc/29/48/89/182294889.db2.gz MZKRKHPMOSFPSJ-NXEZZACHSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(N[C@@H]1CCCOC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366555700 182294890 /nfs/dbraw/zinc/29/48/90/182294890.db2.gz MZKRKHPMOSFPSJ-NXEZZACHSA-N 1 2 249.314 1.125 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000437049454 206068234 /nfs/dbraw/zinc/06/82/34/206068234.db2.gz YHQHWEDUIZHRTL-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000445666718 206085656 /nfs/dbraw/zinc/08/56/56/206085656.db2.gz OZHWHHZORASMHW-AEJSXWLSSA-N 1 2 221.304 1.787 20 0 BDADLO CC[N@H+](Cc1nc(C)ccc1O)C1COC1 ZINC000449425893 206097795 /nfs/dbraw/zinc/09/77/95/206097795.db2.gz NKGUOTMOWXFHPM-UHFFFAOYSA-N 1 2 222.288 1.316 20 0 BDADLO CC[N@@H+](Cc1nc(C)ccc1O)C1COC1 ZINC000449425893 206097801 /nfs/dbraw/zinc/09/78/01/206097801.db2.gz NKGUOTMOWXFHPM-UHFFFAOYSA-N 1 2 222.288 1.316 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CCC[C@@H]2C)n1 ZINC000450451100 206102978 /nfs/dbraw/zinc/10/29/78/206102978.db2.gz DTAIUEDNEFNUCB-QMMMGPOBSA-N 1 2 240.328 1.914 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CCC[C@@H]2C)n1 ZINC000450451100 206102980 /nfs/dbraw/zinc/10/29/80/206102980.db2.gz DTAIUEDNEFNUCB-QMMMGPOBSA-N 1 2 240.328 1.914 20 0 BDADLO CCOCCN1CC[NH+](Cc2ccco2)CC1 ZINC000194567881 206093669 /nfs/dbraw/zinc/09/36/69/206093669.db2.gz DYNSZBFQYDFUKP-UHFFFAOYSA-N 1 2 238.331 1.434 20 0 BDADLO COC[C@H]([NH2+]C1CC(C(C)(C)C)C1)C(=O)OC ZINC000459498156 206131186 /nfs/dbraw/zinc/13/11/86/206131186.db2.gz VFJWSOQTQRBEBA-ILDUYXDCSA-N 1 2 243.347 1.589 20 0 BDADLO Cn1c2ccc(C[NH2+]CC(F)F)cc2oc1=O ZINC000459544000 206133800 /nfs/dbraw/zinc/13/38/00/206133800.db2.gz JMJZFVPFXSFXLB-UHFFFAOYSA-N 1 2 242.225 1.486 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCCO1 ZINC000266156356 182374737 /nfs/dbraw/zinc/37/47/37/182374737.db2.gz MXSHWSXWKGMARN-SECBINFHSA-N 1 2 231.255 1.452 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1CCOCC1 ZINC000280771386 182385050 /nfs/dbraw/zinc/38/50/50/182385050.db2.gz MWACDHPIOPJGQI-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1CCCC1 ZINC000109889599 182387962 /nfs/dbraw/zinc/38/79/62/182387962.db2.gz CENSIBVFYWELFN-UHFFFAOYSA-N 1 2 206.245 1.916 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC(C(C)=O)CC1 ZINC000104413304 168883811 /nfs/dbraw/zinc/88/38/11/168883811.db2.gz ZGXCKMKSSDTHAN-UHFFFAOYSA-N 1 2 241.331 1.631 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C)c(C)o1 ZINC000093311827 170392058 /nfs/dbraw/zinc/39/20/58/170392058.db2.gz RZXXQCWAYXGNOU-UHFFFAOYSA-N 1 2 212.293 1.760 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000093311827 170392060 /nfs/dbraw/zinc/39/20/60/170392060.db2.gz RZXXQCWAYXGNOU-UHFFFAOYSA-N 1 2 212.293 1.760 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C2CC2)no1 ZINC000104262350 183032440 /nfs/dbraw/zinc/03/24/40/183032440.db2.gz WTVPDNPADIJXHM-ZACCUICWSA-N 1 2 249.314 1.435 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C2CC2)no1 ZINC000104262350 183032441 /nfs/dbraw/zinc/03/24/41/183032441.db2.gz WTVPDNPADIJXHM-ZACCUICWSA-N 1 2 249.314 1.435 20 0 BDADLO OCCC[N@H+](Cc1ccno1)Cc1ccccn1 ZINC000287936575 183054599 /nfs/dbraw/zinc/05/45/99/183054599.db2.gz XFEUCPDFTKFVDI-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO OCCC[N@@H+](Cc1ccno1)Cc1ccccn1 ZINC000287936575 183054601 /nfs/dbraw/zinc/05/46/01/183054601.db2.gz XFEUCPDFTKFVDI-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO OCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846474 183056306 /nfs/dbraw/zinc/05/63/06/183056306.db2.gz YBLHRIZFAJBZNF-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846474 183056309 /nfs/dbraw/zinc/05/63/09/183056309.db2.gz YBLHRIZFAJBZNF-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000177706429 183074786 /nfs/dbraw/zinc/07/47/86/183074786.db2.gz NSVIXNQJZUUADW-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000177706429 183074788 /nfs/dbraw/zinc/07/47/88/183074788.db2.gz NSVIXNQJZUUADW-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO OCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486138 183081286 /nfs/dbraw/zinc/08/12/86/183081286.db2.gz MHLMVBVQTWBXRE-UHFFFAOYSA-N 1 2 206.167 1.505 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1[C@@H]1C=CCCC1 ZINC000366689581 183116922 /nfs/dbraw/zinc/11/69/22/183116922.db2.gz PNIDQYJTRSLNMM-ZJUUUORDSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1[C@@H]1C=CCCC1 ZINC000366689581 183116924 /nfs/dbraw/zinc/11/69/24/183116924.db2.gz PNIDQYJTRSLNMM-ZJUUUORDSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000040431687 183119712 /nfs/dbraw/zinc/11/97/12/183119712.db2.gz WYDZQVXRGLNEOB-SNVBAGLBSA-N 1 2 231.299 1.772 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncccn1)c1ccsc1 ZINC000309511985 183109591 /nfs/dbraw/zinc/10/95/91/183109591.db2.gz PRVGSWDSYLLJKS-SNVBAGLBSA-N 1 2 235.312 1.361 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334231695 183134719 /nfs/dbraw/zinc/13/47/19/183134719.db2.gz LUBUJPCQKIDISR-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334231695 183134722 /nfs/dbraw/zinc/13/47/22/183134722.db2.gz LUBUJPCQKIDISR-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccn[nH]1 ZINC000271234646 183138487 /nfs/dbraw/zinc/13/84/87/183138487.db2.gz RSSOBDGYMUOYBM-ZDUSSCGKSA-N 1 2 249.289 1.242 20 0 BDADLO OC[C@H]([NH2+]Cc1ccon1)c1ccsc1 ZINC000308934956 183140984 /nfs/dbraw/zinc/14/09/84/183140984.db2.gz NUSIPEMBOSPYIW-JTQLQIEISA-N 1 2 224.285 1.559 20 0 BDADLO OC[C@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)cc1 ZINC000265211669 183141715 /nfs/dbraw/zinc/14/17/15/183141715.db2.gz DKODMQJFPBOQKT-NSHDSACASA-N 1 2 235.262 1.372 20 0 BDADLO CCCCc1nc(COCc2[nH]cc[nH+]2)no1 ZINC000123900077 169025996 /nfs/dbraw/zinc/02/59/96/169025996.db2.gz HPDRHFQTYZONMP-UHFFFAOYSA-N 1 2 236.275 1.852 20 0 BDADLO OC[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000131724327 183123583 /nfs/dbraw/zinc/12/35/83/183123583.db2.gz OZAHJVNIJGMUTP-SECBINFHSA-N 1 2 219.288 1.173 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccc3occc3c2)CCO1 ZINC000289574951 183127537 /nfs/dbraw/zinc/12/75/37/183127537.db2.gz HAEPFQOSEUXXSW-ZDUSSCGKSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000289574951 183127538 /nfs/dbraw/zinc/12/75/38/183127538.db2.gz HAEPFQOSEUXXSW-ZDUSSCGKSA-N 1 2 247.294 1.626 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000336681411 169030936 /nfs/dbraw/zinc/03/09/36/169030936.db2.gz CQRNUZIVMRXLQP-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCCc1noc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000336681411 169030940 /nfs/dbraw/zinc/03/09/40/169030940.db2.gz CQRNUZIVMRXLQP-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO OCc1ccc(C[NH2+]Cc2ccco2)o1 ZINC000077897685 183165642 /nfs/dbraw/zinc/16/56/42/183165642.db2.gz BEECPCOQKXYRQE-UHFFFAOYSA-N 1 2 207.229 1.655 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000284360218 183153581 /nfs/dbraw/zinc/15/35/81/183153581.db2.gz ZFZGXEXIRRFQHS-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000284360218 183153584 /nfs/dbraw/zinc/15/35/84/183153584.db2.gz ZFZGXEXIRRFQHS-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO O[C@@H]1CC[C@H](Nc2cccc(-n3cc[nH+]c3)n2)C1 ZINC000368618543 183204697 /nfs/dbraw/zinc/20/46/97/183204697.db2.gz KSRXWCMAHQDJAN-WDEREUQCSA-N 1 2 244.298 1.015 20 0 BDADLO O[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(F)(F)F ZINC000307934149 183221168 /nfs/dbraw/zinc/22/11/68/183221168.db2.gz IMHNSSRVJFZZCS-XHNCKOQMSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(F)(F)F ZINC000307934149 183221172 /nfs/dbraw/zinc/22/11/72/183221172.db2.gz IMHNSSRVJFZZCS-XHNCKOQMSA-N 1 2 239.237 1.163 20 0 BDADLO CCCN(CC(=O)OCC)Cc1[nH+]ccn1C ZINC000050052197 169101570 /nfs/dbraw/zinc/10/15/70/169101570.db2.gz MPVYTQORWZMRMH-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000368569793 169116371 /nfs/dbraw/zinc/11/63/71/169116371.db2.gz ONTVOUFOLRYCGA-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cocn1 ZINC000192294825 183249244 /nfs/dbraw/zinc/24/92/44/183249244.db2.gz FLETUTBJYOZZGC-QWHCGFSZSA-N 1 2 230.267 1.423 20 0 BDADLO Oc1ccc(F)c(C[NH2+]CCN2CCC2)c1F ZINC000352697197 183273725 /nfs/dbraw/zinc/27/37/25/183273725.db2.gz YKHBZSOYUDMJGD-UHFFFAOYSA-N 1 2 242.269 1.466 20 0 BDADLO Oc1ccc(F)c(CNCC[NH+]2CCC2)c1F ZINC000352697197 183273727 /nfs/dbraw/zinc/27/37/27/183273727.db2.gz YKHBZSOYUDMJGD-UHFFFAOYSA-N 1 2 242.269 1.466 20 0 BDADLO Oc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366560865 183288996 /nfs/dbraw/zinc/28/89/96/183288996.db2.gz QRBPXJMOOYHWSG-NWDGAFQWSA-N 1 2 205.257 1.365 20 0 BDADLO Oc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366560865 183288999 /nfs/dbraw/zinc/28/89/99/183288999.db2.gz QRBPXJMOOYHWSG-NWDGAFQWSA-N 1 2 205.257 1.365 20 0 BDADLO Oc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000195017757 183290125 /nfs/dbraw/zinc/29/01/25/183290125.db2.gz XRPKLIRPTWOXDQ-CQSZACIVSA-N 1 2 249.310 1.384 20 0 BDADLO Oc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000195017757 183290128 /nfs/dbraw/zinc/29/01/28/183290128.db2.gz XRPKLIRPTWOXDQ-CQSZACIVSA-N 1 2 249.310 1.384 20 0 BDADLO CCC[N@@H+]1CCC[C@@H]1CNc1nc(C)ns1 ZINC000336777211 169196698 /nfs/dbraw/zinc/19/66/98/169196698.db2.gz HRUVTLUNYALBIH-SNVBAGLBSA-N 1 2 240.376 1.555 20 0 BDADLO CCC[N@H+]1CCC[C@@H]1CNc1nc(C)ns1 ZINC000336777211 169196700 /nfs/dbraw/zinc/19/67/00/169196700.db2.gz HRUVTLUNYALBIH-SNVBAGLBSA-N 1 2 240.376 1.555 20 0 BDADLO CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000368187761 169204507 /nfs/dbraw/zinc/20/45/07/169204507.db2.gz IOCTUEAZFVYTAA-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000368187761 169204508 /nfs/dbraw/zinc/20/45/08/169204508.db2.gz IOCTUEAZFVYTAA-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000369408088 169223453 /nfs/dbraw/zinc/22/34/53/169223453.db2.gz JSPLWRMAKNHDBE-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000369408088 169223454 /nfs/dbraw/zinc/22/34/54/169223454.db2.gz JSPLWRMAKNHDBE-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000336779556 169227644 /nfs/dbraw/zinc/22/76/44/169227644.db2.gz ORDNZAMWBLGVGJ-ZETCQYMHSA-N 1 2 242.348 1.023 20 0 BDADLO CCCNC(=O)CNc1cc[nH+]c(C2CC2)n1 ZINC000110115205 169230187 /nfs/dbraw/zinc/23/01/87/169230187.db2.gz FKBIQTSKROCGNX-UHFFFAOYSA-N 1 2 234.303 1.292 20 0 BDADLO c1cc(C[NH+]2CCOCC2)c2c(c1)OCCCO2 ZINC000154529233 183344780 /nfs/dbraw/zinc/34/47/80/183344780.db2.gz PMDQCXXWRDDYHO-UHFFFAOYSA-N 1 2 249.310 1.680 20 0 BDADLO c1cc(OCCC2OCCCO2)cc[nH+]1 ZINC000292309690 183359365 /nfs/dbraw/zinc/35/93/65/183359365.db2.gz ATUXNWXNBQUOPM-UHFFFAOYSA-N 1 2 209.245 1.614 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)n[nH]1 ZINC000277731071 183351184 /nfs/dbraw/zinc/35/11/84/183351184.db2.gz OPVPOZPOJMCHOO-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO c1cc(N2CC3(C2)CCOC3)nc(C2CC2)[nH+]1 ZINC000294101891 183356294 /nfs/dbraw/zinc/35/62/94/183356294.db2.gz OSUMRTSELANDHG-UHFFFAOYSA-N 1 2 231.299 1.581 20 0 BDADLO c1ncn(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000264842018 183356976 /nfs/dbraw/zinc/35/69/76/183356976.db2.gz GYSOXQIYSCAFJM-UHFFFAOYSA-N 1 2 230.275 1.058 20 0 BDADLO CCCNC(=O)CCNc1cccc[nH+]1 ZINC000044350833 169217672 /nfs/dbraw/zinc/21/76/72/169217672.db2.gz LORHNFWJQQVFJQ-UHFFFAOYSA-N 1 2 207.277 1.410 20 0 BDADLO CCCNC(=O)CCNc1cc(C)[nH+]cn1 ZINC000045084726 169217866 /nfs/dbraw/zinc/21/78/66/169217866.db2.gz RQBIRDCEXAKMTF-UHFFFAOYSA-N 1 2 222.292 1.113 20 0 BDADLO c1nnc(CCNc2cc[nH+]c(C3CC3)n2)[nH]1 ZINC000153556069 183357557 /nfs/dbraw/zinc/35/75/57/183357557.db2.gz QADHJCOTVAIYFF-UHFFFAOYSA-N 1 2 230.275 1.127 20 0 BDADLO c1cc(NC[C@@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000110278670 183357717 /nfs/dbraw/zinc/35/77/17/183357717.db2.gz RSBULJPDLBDGGI-VIFPVBQESA-N 1 2 219.288 1.802 20 0 BDADLO c1cc2[nH+]ccc(N[C@H]3CCOC3)c2cn1 ZINC000309622634 183377406 /nfs/dbraw/zinc/37/74/06/183377406.db2.gz PIYIYLQFCSVDCO-VIFPVBQESA-N 1 2 215.256 1.831 20 0 BDADLO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000336777806 169247100 /nfs/dbraw/zinc/24/71/00/169247100.db2.gz JPCALNACAHYMSX-IUCAKERBSA-N 1 2 225.292 1.240 20 0 BDADLO CCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000013919035 169250160 /nfs/dbraw/zinc/25/01/60/169250160.db2.gz IKZRMUSLTIKWEC-QMMMGPOBSA-N 1 2 207.277 1.041 20 0 BDADLO CCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000013919035 169250162 /nfs/dbraw/zinc/25/01/62/169250162.db2.gz IKZRMUSLTIKWEC-QMMMGPOBSA-N 1 2 207.277 1.041 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000373064644 169299694 /nfs/dbraw/zinc/29/96/94/169299694.db2.gz AWKHPEZTAKKQFI-MVWJERBFSA-N 1 2 241.331 1.485 20 0 BDADLO CCCSCC(=O)NCc1[nH+]ccn1CC ZINC000295820973 169337529 /nfs/dbraw/zinc/33/75/29/169337529.db2.gz UCHUIIUTHGMGNM-UHFFFAOYSA-N 1 2 241.360 1.662 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339676351 169362679 /nfs/dbraw/zinc/36/26/79/169362679.db2.gz JBARHJSZRCOFOW-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339676346 169363336 /nfs/dbraw/zinc/36/33/36/169363336.db2.gz JBARHJSZRCOFOW-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@@H](C[NH2+]Cc1cn[nH]c1C)OC ZINC000293795274 169384882 /nfs/dbraw/zinc/38/48/82/169384882.db2.gz XSYNWJCTMOZDBS-NSHDSACASA-N 1 2 211.309 1.623 20 0 BDADLO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000354021968 169398381 /nfs/dbraw/zinc/39/83/81/169398381.db2.gz ITZWGXWBHIPACF-SECBINFHSA-N 1 2 239.323 1.218 20 0 BDADLO CC[C@@H](C)[N@H+](C)Cc1noc(COC)n1 ZINC000182591095 134345910 /nfs/dbraw/zinc/34/59/10/134345910.db2.gz UHZSUMFWZHBSSD-MRVPVSSYSA-N 1 2 213.281 1.446 20 0 BDADLO CC[C@@H](C)[N@@H+](C)Cc1noc(COC)n1 ZINC000182591095 134345911 /nfs/dbraw/zinc/34/59/11/134345911.db2.gz UHZSUMFWZHBSSD-MRVPVSSYSA-N 1 2 213.281 1.446 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000183869410 134356841 /nfs/dbraw/zinc/35/68/41/134356841.db2.gz MGFKDVBHEBNZKB-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000336650694 171086257 /nfs/dbraw/zinc/08/62/57/171086257.db2.gz DVOAGDHFLNLFDW-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000336650694 171086258 /nfs/dbraw/zinc/08/62/58/171086258.db2.gz DVOAGDHFLNLFDW-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@H]1CCCOC1 ZINC000119800806 383864899 /nfs/dbraw/zinc/86/48/99/383864899.db2.gz AYJJDVZYNYCMDY-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@H]1CCCOC1 ZINC000119800806 383864903 /nfs/dbraw/zinc/86/49/03/383864903.db2.gz AYJJDVZYNYCMDY-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1F ZINC000560065489 383876512 /nfs/dbraw/zinc/87/65/12/383876512.db2.gz PEVVVKBKUGAJQQ-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1F ZINC000560065489 383876521 /nfs/dbraw/zinc/87/65/21/383876521.db2.gz PEVVVKBKUGAJQQ-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000066666386 383877050 /nfs/dbraw/zinc/87/70/50/383877050.db2.gz BHUZCXBDSFEKRN-LBPRGKRZSA-N 1 2 233.315 1.038 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000066666386 383877060 /nfs/dbraw/zinc/87/70/60/383877060.db2.gz BHUZCXBDSFEKRN-LBPRGKRZSA-N 1 2 233.315 1.038 20 0 BDADLO O=C1C[C@H](CNc2ccc3ccccc3[nH+]2)CN1 ZINC000334728919 383830701 /nfs/dbraw/zinc/83/07/01/383830701.db2.gz SYKVCCOBUBCNLS-SNVBAGLBSA-N 1 2 241.294 1.205 20 0 BDADLO Cc1nnc(C[NH+]2C[C@@H](C)S[C@H](C)C2)n1C ZINC000336449429 383908363 /nfs/dbraw/zinc/90/83/63/383908363.db2.gz BYRZORFWPAMVHU-RKDXNWHRSA-N 1 2 240.376 1.449 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104549 383913566 /nfs/dbraw/zinc/91/35/66/383913566.db2.gz BSJSRYAURCNRIS-SNVBAGLBSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104549 383913570 /nfs/dbraw/zinc/91/35/70/383913570.db2.gz BSJSRYAURCNRIS-SNVBAGLBSA-N 1 2 239.319 1.397 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000050104484 383913803 /nfs/dbraw/zinc/91/38/03/383913803.db2.gz DDAFIXROFWBOQI-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000050104484 383913809 /nfs/dbraw/zinc/91/38/09/383913809.db2.gz DDAFIXROFWBOQI-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccc(F)cc2F)n1 ZINC000112344551 383919732 /nfs/dbraw/zinc/91/97/32/383919732.db2.gz CIXHCRCKCNAUQD-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2COCCO2)c(C)[nH+]1 ZINC000267969280 383894440 /nfs/dbraw/zinc/89/44/40/383894440.db2.gz BJPCSVMYNGIZQN-LLVKDONJSA-N 1 2 236.271 1.052 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)[C@@H]1C ZINC000559349737 383895299 /nfs/dbraw/zinc/89/52/99/383895299.db2.gz LLPAHMIZUFOYDX-HTQZYQBOSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)[C@@H]1C ZINC000559349737 383895303 /nfs/dbraw/zinc/89/53/03/383895303.db2.gz LLPAHMIZUFOYDX-HTQZYQBOSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@H]1COCC[C@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000569403258 383992910 /nfs/dbraw/zinc/99/29/10/383992910.db2.gz IVUYKKJGALEGAR-VHSXEESVSA-N 1 2 248.286 1.454 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C2CC2)CC1 ZINC000572615276 383994795 /nfs/dbraw/zinc/99/47/95/383994795.db2.gz WABRWGGGYZDYLB-JTQLQIEISA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C2CC2)CC1 ZINC000572615276 383994800 /nfs/dbraw/zinc/99/48/00/383994800.db2.gz WABRWGGGYZDYLB-JTQLQIEISA-N 1 2 247.342 1.895 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCC1 ZINC000068509757 383997109 /nfs/dbraw/zinc/99/71/09/383997109.db2.gz RLQBWOVKKVNXCH-UHFFFAOYSA-N 1 2 215.256 1.570 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000112691002 383940393 /nfs/dbraw/zinc/94/03/93/383940393.db2.gz RXZWCUQNGBKYSV-VIFPVBQESA-N 1 2 223.272 1.558 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000112691002 383940401 /nfs/dbraw/zinc/94/04/01/383940401.db2.gz RXZWCUQNGBKYSV-VIFPVBQESA-N 1 2 223.272 1.558 20 0 BDADLO Cc1ccnc(NCc2[nH+]ccn2C)n1 ZINC000070853759 383956461 /nfs/dbraw/zinc/95/64/61/383956461.db2.gz BFFGEJNHJGKBEN-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)C(F)F ZINC000449359009 383974150 /nfs/dbraw/zinc/97/41/50/383974150.db2.gz HCHVURZIQJQXFX-SFYZADRCSA-N 1 2 243.319 1.443 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000336505729 384029305 /nfs/dbraw/zinc/02/93/05/384029305.db2.gz ZGYNPBZSWHCOBD-NEPJUHHUSA-N 1 2 214.328 1.905 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000336505729 384029310 /nfs/dbraw/zinc/02/93/10/384029310.db2.gz ZGYNPBZSWHCOBD-NEPJUHHUSA-N 1 2 214.328 1.905 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccn(C)c1 ZINC000091007734 384088725 /nfs/dbraw/zinc/08/87/25/384088725.db2.gz RBAKMPDKTMUEAC-LBPRGKRZSA-N 1 2 238.331 1.702 20 0 BDADLO CC[C@H](C[N@@H+]1CCO[C@@H](C(F)(F)F)C1)OC ZINC000642687542 384069777 /nfs/dbraw/zinc/06/97/77/384069777.db2.gz UXFVGTSQGRZNJB-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@H](C[N@H+]1CCO[C@@H](C(F)(F)F)C1)OC ZINC000642687542 384069782 /nfs/dbraw/zinc/06/97/82/384069782.db2.gz UXFVGTSQGRZNJB-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COCc1noc([C@@H](C)[NH+]2CCSCC2)n1 ZINC000091583880 384103152 /nfs/dbraw/zinc/10/31/52/384103152.db2.gz KJORSPYWJHPXGT-MRVPVSSYSA-N 1 2 243.332 1.326 20 0 BDADLO COc1cc(C)[nH+]c(CNC(CF)CF)c1 ZINC000449380744 384094104 /nfs/dbraw/zinc/09/41/04/384094104.db2.gz ORHDMYGSJWTKLZ-UHFFFAOYSA-N 1 2 230.258 1.796 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000091832669 384147317 /nfs/dbraw/zinc/14/73/17/384147317.db2.gz QHMRFOHLTYJLJE-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000091832669 384147318 /nfs/dbraw/zinc/14/73/18/384147318.db2.gz QHMRFOHLTYJLJE-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)SC)C1CC1 ZINC000227771450 134393886 /nfs/dbraw/zinc/39/38/86/134393886.db2.gz VEKVSGOQNHNGIX-IONNQARKSA-N 1 2 217.334 1.279 20 0 BDADLO CC[C@H](CSC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227771656 134394084 /nfs/dbraw/zinc/39/40/84/134394084.db2.gz RGQIYVALYVAEPG-NXEZZACHSA-N 1 2 231.361 1.669 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000092617073 384151111 /nfs/dbraw/zinc/15/11/11/384151111.db2.gz ZPZNLYXFRQATNQ-GFCCVEGCSA-N 1 2 246.314 1.585 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)c1[nH]cc[nH+]1 ZINC000140671798 384157378 /nfs/dbraw/zinc/15/73/78/384157378.db2.gz SVFVQWSQCCDEDM-LPEHRKFASA-N 1 2 237.303 1.545 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)on1 ZINC000185933343 134397275 /nfs/dbraw/zinc/39/72/75/134397275.db2.gz AOMPDAQOXUPHKA-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)on1 ZINC000185933343 134397276 /nfs/dbraw/zinc/39/72/76/134397276.db2.gz AOMPDAQOXUPHKA-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000558557577 384181416 /nfs/dbraw/zinc/18/14/16/384181416.db2.gz GKVPHDBZROUYKX-NXEZZACHSA-N 1 2 221.304 1.220 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C1CC1 ZINC000370761861 384191801 /nfs/dbraw/zinc/19/18/01/384191801.db2.gz XZVIHJXQPOIPEV-GFCCVEGCSA-N 1 2 233.315 1.674 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000092851479 384196623 /nfs/dbraw/zinc/19/66/23/384196623.db2.gz DPKLHVYCBUHJGY-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CCC[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000132536023 384236349 /nfs/dbraw/zinc/23/63/49/384236349.db2.gz KQVFVGWENBHLFK-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000093454216 384239193 /nfs/dbraw/zinc/23/91/93/384239193.db2.gz FRXHQGKREIJTJT-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000093454216 384239195 /nfs/dbraw/zinc/23/91/95/384239195.db2.gz FRXHQGKREIJTJT-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000685460553 487528523 /nfs/dbraw/zinc/52/85/23/487528523.db2.gz BCWSOIHGDTVPJF-LLVKDONJSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000685460553 487528528 /nfs/dbraw/zinc/52/85/28/487528528.db2.gz BCWSOIHGDTVPJF-LLVKDONJSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1OCCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000132187534 384219765 /nfs/dbraw/zinc/21/97/65/384219765.db2.gz KAAGLNSLOOILLQ-VHSXEESVSA-N 1 2 233.315 1.968 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000132174850 384220488 /nfs/dbraw/zinc/22/04/88/384220488.db2.gz YGTXBRPYYDRUPY-LLVKDONJSA-N 1 2 238.335 1.617 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1cc[nH+]c(C2CC2)n1 ZINC000132186945 384220688 /nfs/dbraw/zinc/22/06/88/384220688.db2.gz KAAGLNSLOOILLQ-ZJUUUORDSA-N 1 2 233.315 1.968 20 0 BDADLO O=c1[nH]c2ccccc2cc1C[NH+]1CCOCC1 ZINC000072595148 384227324 /nfs/dbraw/zinc/22/73/24/384227324.db2.gz LZTNWITXDQEZDI-UHFFFAOYSA-N 1 2 244.294 1.360 20 0 BDADLO COC1C[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000560608710 384258911 /nfs/dbraw/zinc/25/89/11/384258911.db2.gz IBUWZFBBPIWLMZ-UHFFFAOYSA-N 1 2 243.310 1.703 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)CO1 ZINC000335432233 384274794 /nfs/dbraw/zinc/27/47/94/384274794.db2.gz BFXBSLHNYWEERY-NXEZZACHSA-N 1 2 231.299 1.585 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000304463991 384320569 /nfs/dbraw/zinc/32/05/69/384320569.db2.gz MQPNTZPVMLKEDE-YUMQZZPRSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C)[C@@H](C)C2)[nH+]1 ZINC000304463991 384320572 /nfs/dbraw/zinc/32/05/72/384320572.db2.gz MQPNTZPVMLKEDE-YUMQZZPRSA-N 1 2 221.308 1.245 20 0 BDADLO O=S(=O)(CCC1CCC1)NCc1[nH]cc[nH+]1 ZINC000304409629 384279556 /nfs/dbraw/zinc/27/95/56/384279556.db2.gz BYMDZEWDTWRGGE-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO Cc1ccsc1CNc1nc(C)[nH+]c(N)n1 ZINC000304404813 384281444 /nfs/dbraw/zinc/28/14/44/384281444.db2.gz BJGSUTCGKMVILL-UHFFFAOYSA-N 1 2 235.316 1.744 20 0 BDADLO Cc1ccsc1CNc1nc(N)nc(C)[nH+]1 ZINC000304404813 384281451 /nfs/dbraw/zinc/28/14/51/384281451.db2.gz BJGSUTCGKMVILL-UHFFFAOYSA-N 1 2 235.316 1.744 20 0 BDADLO Cc1cc(C[N@H+](C)CCOCC2CC2)no1 ZINC000159086412 384301412 /nfs/dbraw/zinc/30/14/12/384301412.db2.gz OTXQKZRRCUKNGJ-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOCC2CC2)no1 ZINC000159086412 384301416 /nfs/dbraw/zinc/30/14/16/384301416.db2.gz OTXQKZRRCUKNGJ-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1nc(NC2CCCCCC2)nc(N)[nH+]1 ZINC000304525883 384348462 /nfs/dbraw/zinc/34/84/62/384348462.db2.gz SQRANIJOQXFDEF-UHFFFAOYSA-N 1 2 221.308 1.897 20 0 BDADLO Cc1nc(N)nc(NC2CCCCCC2)[nH+]1 ZINC000304525883 384348469 /nfs/dbraw/zinc/34/84/69/384348469.db2.gz SQRANIJOQXFDEF-UHFFFAOYSA-N 1 2 221.308 1.897 20 0 BDADLO Cn1cc[nH+]c1CNc1nnc(C2CC2)o1 ZINC000134430542 384355518 /nfs/dbraw/zinc/35/55/18/384355518.db2.gz DPHMCSOXEKKYIQ-UHFFFAOYSA-N 1 2 219.248 1.293 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000084093513 384365641 /nfs/dbraw/zinc/36/56/41/384365641.db2.gz KDBWIMKSDKDTCM-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000084093513 384365647 /nfs/dbraw/zinc/36/56/47/384365647.db2.gz KDBWIMKSDKDTCM-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO C=Cn1cc(C[N@@H+](CC)C2COC2)cn1 ZINC000449426793 384365845 /nfs/dbraw/zinc/36/58/45/384365845.db2.gz QEYVSZFOODUISY-UHFFFAOYSA-N 1 2 207.277 1.204 20 0 BDADLO C=Cn1cc(C[N@H+](CC)C2COC2)cn1 ZINC000449426793 384365847 /nfs/dbraw/zinc/36/58/47/384365847.db2.gz QEYVSZFOODUISY-UHFFFAOYSA-N 1 2 207.277 1.204 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120701808 384374942 /nfs/dbraw/zinc/37/49/42/384374942.db2.gz FRIHFNFDJPJAAV-QWRGUYRKSA-N 1 2 249.314 1.642 20 0 BDADLO CCc1cc(N)nc(SCCF)[nH+]1 ZINC000330363818 384367841 /nfs/dbraw/zinc/36/78/41/384367841.db2.gz ULFSIJOCDLAYER-UHFFFAOYSA-N 1 2 201.270 1.513 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)[nH]1 ZINC000625653803 384368414 /nfs/dbraw/zinc/36/84/14/384368414.db2.gz VBIRZUUUWIVEOL-OCAPTIKFSA-N 1 2 244.289 1.836 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)[nH]1 ZINC000625653803 384368420 /nfs/dbraw/zinc/36/84/20/384368420.db2.gz VBIRZUUUWIVEOL-OCAPTIKFSA-N 1 2 244.289 1.836 20 0 BDADLO O=C(CCC(F)(F)F)NCc1c[nH+]c[nH]1 ZINC000084124140 384371570 /nfs/dbraw/zinc/37/15/70/384371570.db2.gz OWIPTDKYKBCTNN-UHFFFAOYSA-N 1 2 221.182 1.368 20 0 BDADLO O=C(CCC(F)(F)F)NCc1c[nH]c[nH+]1 ZINC000084124140 384371579 /nfs/dbraw/zinc/37/15/79/384371579.db2.gz OWIPTDKYKBCTNN-UHFFFAOYSA-N 1 2 221.182 1.368 20 0 BDADLO CC[N@H+](Cc1ccc(COC)o1)C1COC1 ZINC000449424568 384324153 /nfs/dbraw/zinc/32/41/53/384324153.db2.gz JVYODDVIFGOJCJ-UHFFFAOYSA-N 1 2 225.288 1.647 20 0 BDADLO CC[N@@H+](Cc1ccc(COC)o1)C1COC1 ZINC000449424568 384324158 /nfs/dbraw/zinc/32/41/58/384324158.db2.gz JVYODDVIFGOJCJ-UHFFFAOYSA-N 1 2 225.288 1.647 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000332673322 384328786 /nfs/dbraw/zinc/32/87/86/384328786.db2.gz IOSZCMQMXKUYCT-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000332673322 384328792 /nfs/dbraw/zinc/32/87/92/384328792.db2.gz IOSZCMQMXKUYCT-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO NC(=O)c1ccc(NCc2[nH]cc[nH+]2)cc1F ZINC000642941410 384421772 /nfs/dbraw/zinc/42/17/72/384421772.db2.gz HMRXICWJUOVABD-UHFFFAOYSA-N 1 2 234.234 1.260 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(N)[nH+]1 ZINC000403045335 384422195 /nfs/dbraw/zinc/42/21/95/384422195.db2.gz ALWBVNJWVSXCLJ-IWSPIJDZSA-N 1 2 219.292 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000403045335 384422198 /nfs/dbraw/zinc/42/21/98/384422198.db2.gz ALWBVNJWVSXCLJ-IWSPIJDZSA-N 1 2 219.292 1.193 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc(N)[nH+]1 ZINC000403045338 384422255 /nfs/dbraw/zinc/42/22/55/384422255.db2.gz ALWBVNJWVSXCLJ-XHNCKOQMSA-N 1 2 219.292 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000403045338 384422265 /nfs/dbraw/zinc/42/22/65/384422265.db2.gz ALWBVNJWVSXCLJ-XHNCKOQMSA-N 1 2 219.292 1.193 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000095561734 384379307 /nfs/dbraw/zinc/37/93/07/384379307.db2.gz LHHBGPPQEHOZAG-GFCCVEGCSA-N 1 2 217.268 1.360 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000095561734 384379313 /nfs/dbraw/zinc/37/93/13/384379313.db2.gz LHHBGPPQEHOZAG-GFCCVEGCSA-N 1 2 217.268 1.360 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000095561735 384379972 /nfs/dbraw/zinc/37/99/72/384379972.db2.gz LHHBGPPQEHOZAG-LBPRGKRZSA-N 1 2 217.268 1.360 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000095561735 384379979 /nfs/dbraw/zinc/37/99/79/384379979.db2.gz LHHBGPPQEHOZAG-LBPRGKRZSA-N 1 2 217.268 1.360 20 0 BDADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(N)=O)s1 ZINC000121988222 384446964 /nfs/dbraw/zinc/44/69/64/384446964.db2.gz TXLQPPCZVDFMOO-MRVPVSSYSA-N 1 2 241.360 1.492 20 0 BDADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(N)=O)s1 ZINC000121988222 384446969 /nfs/dbraw/zinc/44/69/69/384446969.db2.gz TXLQPPCZVDFMOO-MRVPVSSYSA-N 1 2 241.360 1.492 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000533515146 384447784 /nfs/dbraw/zinc/44/77/84/384447784.db2.gz UHHUJUOHAOBNGN-NSHDSACASA-N 1 2 238.287 1.591 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccno1 ZINC000533515146 384447791 /nfs/dbraw/zinc/44/77/91/384447791.db2.gz UHHUJUOHAOBNGN-NSHDSACASA-N 1 2 238.287 1.591 20 0 BDADLO Cc1ncc(C[N@@H+](C)CCNC(=O)C(C)C)o1 ZINC000628191338 384451474 /nfs/dbraw/zinc/45/14/74/384451474.db2.gz HSOFNCGMPPMRKM-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1ncc(C[N@H+](C)CCNC(=O)C(C)C)o1 ZINC000628191338 384451482 /nfs/dbraw/zinc/45/14/82/384451482.db2.gz HSOFNCGMPPMRKM-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000121695527 384432482 /nfs/dbraw/zinc/43/24/82/384432482.db2.gz GNSWIHLMUXUULZ-WDEREUQCSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1nc(NCC[S@@](=O)C(C)(C)C)cc[nH+]1 ZINC000078265767 384436103 /nfs/dbraw/zinc/43/61/03/384436103.db2.gz ZANCOYLJUSVAON-INIZCTEOSA-N 1 2 241.360 1.744 20 0 BDADLO CCc1cc(NCc2noc(C)n2)nc[nH+]1 ZINC000078263869 384438657 /nfs/dbraw/zinc/43/86/57/384438657.db2.gz SYGOCQRLJZMVPO-UHFFFAOYSA-N 1 2 219.248 1.343 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@H](C)O ZINC000121868874 384441914 /nfs/dbraw/zinc/44/19/14/384441914.db2.gz VKNLMMGVIFLBKC-VIFPVBQESA-N 1 2 223.276 1.235 20 0 BDADLO CC1(CNC(=O)NCCn2cc[nH+]c2)CCC1 ZINC000175629572 384461407 /nfs/dbraw/zinc/46/14/07/384461407.db2.gz GLMHSANJHVBLJF-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO C[N@H+](CCN1CCCC1=O)Cc1cscn1 ZINC000122213003 384466856 /nfs/dbraw/zinc/46/68/56/384466856.db2.gz RSDRHRGBVRLXOJ-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C[N@@H+](CCN1CCCC1=O)Cc1cscn1 ZINC000122213003 384466864 /nfs/dbraw/zinc/46/68/64/384466864.db2.gz RSDRHRGBVRLXOJ-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC(C)Cn1cc(NCc2c[nH+]cn2C)cn1 ZINC000122262798 384468782 /nfs/dbraw/zinc/46/87/82/384468782.db2.gz ABDBCPMRJGZIAE-UHFFFAOYSA-N 1 2 233.319 1.885 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H](C)C2CC2)c[nH+]1 ZINC000600968883 384472678 /nfs/dbraw/zinc/47/26/78/384472678.db2.gz KVUSEUPSXKHKAC-ZETCQYMHSA-N 1 2 207.277 1.494 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)C1CC(=O)C1 ZINC000368428405 384501368 /nfs/dbraw/zinc/50/13/68/384501368.db2.gz FRJYFCULTGAVIL-NSHDSACASA-N 1 2 247.298 1.063 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CCCCC2)c1 ZINC000170186379 384502943 /nfs/dbraw/zinc/50/29/43/384502943.db2.gz ZBDFXLADKFDHMG-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000161613607 384508160 /nfs/dbraw/zinc/50/81/60/384508160.db2.gz HVZIQDRLELRXQL-UHFFFAOYSA-N 1 2 243.310 1.876 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccco1 ZINC000276747464 384515181 /nfs/dbraw/zinc/51/51/81/384515181.db2.gz ZVDNUFGLRCQYFB-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1occc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000556842190 384520722 /nfs/dbraw/zinc/52/07/22/384520722.db2.gz UNAGPEQHVTVBHM-UHFFFAOYSA-N 1 2 246.270 1.029 20 0 BDADLO C[C@@H](C(=O)N(C)CC(F)(F)F)[NH+]1CC(C)C1 ZINC000561144896 384522294 /nfs/dbraw/zinc/52/22/94/384522294.db2.gz QSKIOHXWVSBZEI-QMMMGPOBSA-N 1 2 238.253 1.347 20 0 BDADLO O=C1OCCN1CCCNc1cccc[nH+]1 ZINC000170869234 384527501 /nfs/dbraw/zinc/52/75/01/384527501.db2.gz NACCFSHGWUEVKC-UHFFFAOYSA-N 1 2 221.260 1.336 20 0 BDADLO CN(CC1CCC1)C(=O)NCc1c[nH+]cn1C ZINC000358114874 384542005 /nfs/dbraw/zinc/54/20/05/384542005.db2.gz GYGHVFLYUXZXES-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO CC[C@H](NC(=O)c1cc(C)n(C)n1)c1[nH]cc[nH+]1 ZINC000301832538 384544018 /nfs/dbraw/zinc/54/40/18/384544018.db2.gz JCKZJTZGLBWSKA-VIFPVBQESA-N 1 2 247.302 1.333 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1cnc(C)s1 ZINC000171078631 384547125 /nfs/dbraw/zinc/54/71/25/384547125.db2.gz IDBDNLSULIVSIE-VIFPVBQESA-N 1 2 227.333 1.147 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cnc(C)s1 ZINC000171078631 384547131 /nfs/dbraw/zinc/54/71/31/384547131.db2.gz IDBDNLSULIVSIE-VIFPVBQESA-N 1 2 227.333 1.147 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000171146122 384559239 /nfs/dbraw/zinc/55/92/39/384559239.db2.gz BQLLAHDYGYKEOT-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000171146122 384559246 /nfs/dbraw/zinc/55/92/46/384559246.db2.gz BQLLAHDYGYKEOT-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CCOc1ncccc1NCc1[nH]cc[nH+]1 ZINC000049715112 384559920 /nfs/dbraw/zinc/55/99/20/384559920.db2.gz DMFQQRPDYIKMOX-UHFFFAOYSA-N 1 2 218.260 1.816 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000561162424 384537600 /nfs/dbraw/zinc/53/76/00/384537600.db2.gz WHBKOBYQSJDNIO-JTQLQIEISA-N 1 2 236.319 1.305 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CC12CC2 ZINC000335102708 384537839 /nfs/dbraw/zinc/53/78/39/384537839.db2.gz IDSSXPXYUMJRPV-LLVKDONJSA-N 1 2 241.294 1.546 20 0 BDADLO COC[C@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000080239147 384540789 /nfs/dbraw/zinc/54/07/89/384540789.db2.gz KPNCREXLBBKVBA-JTQLQIEISA-N 1 2 221.260 1.480 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccn(C)c2)no1 ZINC000085591171 384541344 /nfs/dbraw/zinc/54/13/44/384541344.db2.gz VVZHTOLNFAWHGP-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO Cc1noc(C(=O)NCc2cc(C)[nH+]c(C)c2)n1 ZINC000643354342 384569078 /nfs/dbraw/zinc/56/90/78/384569078.db2.gz OTQFRFLJNBKDJG-UHFFFAOYSA-N 1 2 246.270 1.320 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000049956405 384578936 /nfs/dbraw/zinc/57/89/36/384578936.db2.gz KJYOEHQFJHOOAE-NSHDSACASA-N 1 2 221.300 1.988 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000049956405 384578941 /nfs/dbraw/zinc/57/89/41/384578941.db2.gz KJYOEHQFJHOOAE-NSHDSACASA-N 1 2 221.300 1.988 20 0 BDADLO CSCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000172439387 384589345 /nfs/dbraw/zinc/58/93/45/384589345.db2.gz CBKWIHVXEOJQLV-UHFFFAOYSA-N 1 2 249.339 1.817 20 0 BDADLO c1nnc2n1CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000293003552 384567964 /nfs/dbraw/zinc/56/79/64/384567964.db2.gz GXTFMJGLMKMZBV-GFCCVEGCSA-N 1 2 232.331 1.983 20 0 BDADLO c1nnc2n1CC[N@H+]([C@@H]1C=CCCCCC1)C2 ZINC000293003552 384567971 /nfs/dbraw/zinc/56/79/71/384567971.db2.gz GXTFMJGLMKMZBV-GFCCVEGCSA-N 1 2 232.331 1.983 20 0 BDADLO CN(C)c1ccc(NCc2ccc(CO)o2)c[nH+]1 ZINC000081554565 384622365 /nfs/dbraw/zinc/62/23/65/384622365.db2.gz IPPOPTPAMHAYJO-UHFFFAOYSA-N 1 2 247.298 1.845 20 0 BDADLO Nc1[nH+]cnc(N2CCC[C@@H]2CF)c1Cl ZINC000294285793 384623091 /nfs/dbraw/zinc/62/30/91/384623091.db2.gz XXDUIADHABZRPI-ZCFIWIBFSA-N 1 2 230.674 1.651 20 0 BDADLO CN(C)c1ccc(NCc2cocn2)c[nH+]1 ZINC000276974716 384623996 /nfs/dbraw/zinc/62/39/96/384623996.db2.gz FXXQWEYRNKKQLX-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](C)C2)s1 ZINC000172742354 384624254 /nfs/dbraw/zinc/62/42/54/384624254.db2.gz MTQHDUVCSYRZRT-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](C)C2)s1 ZINC000172742354 384624258 /nfs/dbraw/zinc/62/42/58/384624258.db2.gz MTQHDUVCSYRZRT-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000162464767 384627177 /nfs/dbraw/zinc/62/71/77/384627177.db2.gz AAOMAMKUTNUQDG-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000162464767 384627179 /nfs/dbraw/zinc/62/71/79/384627179.db2.gz AAOMAMKUTNUQDG-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO Cc1cncc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000173030916 384646934 /nfs/dbraw/zinc/64/69/34/384646934.db2.gz MAKPQVSVCDIEEB-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO CCc1cc(N)nc(SCCC2(O)CC2)[nH+]1 ZINC000336654986 384648595 /nfs/dbraw/zinc/64/85/95/384648595.db2.gz HDACMHHXTDKOHC-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCCc1c[nH+]cn1C ZINC000518083548 384657812 /nfs/dbraw/zinc/65/78/12/384657812.db2.gz UCICNKJJEMSBKL-SMDDNHRTSA-N 1 2 249.358 1.905 20 0 BDADLO COC[C@H]([NH2+]Cc1cn(C)nc1C)c1ccco1 ZINC000163043313 384725611 /nfs/dbraw/zinc/72/56/11/384725611.db2.gz UUSLSQANKIFRCY-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cnc(Cl)s1 ZINC000086776692 384683120 /nfs/dbraw/zinc/68/31/20/384683120.db2.gz RHFBCEICFDIINT-UHFFFAOYSA-N 1 2 247.751 1.492 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc(Cl)s1 ZINC000086776692 384683125 /nfs/dbraw/zinc/68/31/25/384683125.db2.gz RHFBCEICFDIINT-UHFFFAOYSA-N 1 2 247.751 1.492 20 0 BDADLO Cc1nc(N[C@H]2CC[S@@](=O)C2)c(F)c(C)[nH+]1 ZINC000309886346 384692759 /nfs/dbraw/zinc/69/27/59/384692759.db2.gz YMQCMAYRAYVEAL-ZKANADHPSA-N 1 2 243.307 1.165 20 0 BDADLO CCOC[C@@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000309900350 384697659 /nfs/dbraw/zinc/69/76/59/384697659.db2.gz HJRUNYULJZKVGR-VIFPVBQESA-N 1 2 244.722 1.853 20 0 BDADLO C[N@@H+](Cc1ccccn1)C[C@@H](O)C(F)(F)F ZINC000082680120 384700015 /nfs/dbraw/zinc/70/00/15/384700015.db2.gz ALYGXCRVJFDJMM-SECBINFHSA-N 1 2 234.221 1.437 20 0 BDADLO C[N@H+](Cc1ccccn1)C[C@@H](O)C(F)(F)F ZINC000082680120 384700019 /nfs/dbraw/zinc/70/00/19/384700019.db2.gz ALYGXCRVJFDJMM-SECBINFHSA-N 1 2 234.221 1.437 20 0 BDADLO CCn1ccnc1C[N@H+](C)CCn1cccn1 ZINC000171967364 384703344 /nfs/dbraw/zinc/70/33/44/384703344.db2.gz RTNHNXRVAQZVIP-UHFFFAOYSA-N 1 2 233.319 1.232 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CCn1cccn1 ZINC000171967364 384703349 /nfs/dbraw/zinc/70/33/49/384703349.db2.gz RTNHNXRVAQZVIP-UHFFFAOYSA-N 1 2 233.319 1.232 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(CCO)cc1 ZINC000051924056 384705538 /nfs/dbraw/zinc/70/55/38/384705538.db2.gz FYNSYNIFGDSHHE-UHFFFAOYSA-N 1 2 231.299 1.567 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CC[C@H](O)C2(C)C)n1 ZINC000335405304 384706183 /nfs/dbraw/zinc/70/61/83/384706183.db2.gz WXNAVZDRFFOWFY-JTQLQIEISA-N 1 2 243.738 1.419 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CC[C@H](O)C2(C)C)n1 ZINC000335405304 384706188 /nfs/dbraw/zinc/70/61/88/384706188.db2.gz WXNAVZDRFFOWFY-JTQLQIEISA-N 1 2 243.738 1.419 20 0 BDADLO CC(C)n1nccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000125378172 384714771 /nfs/dbraw/zinc/71/47/71/384714771.db2.gz AOUKGIROGQEMBJ-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)o1 ZINC000173740790 384714940 /nfs/dbraw/zinc/71/49/40/384714940.db2.gz BWTQYDCRWUUJHI-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)o1 ZINC000173740790 384714949 /nfs/dbraw/zinc/71/49/49/384714949.db2.gz BWTQYDCRWUUJHI-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000566140660 384719600 /nfs/dbraw/zinc/71/96/00/384719600.db2.gz QIOGHTLGKTXKKZ-VHSXEESVSA-N 1 2 246.314 1.050 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC000173783571 384720264 /nfs/dbraw/zinc/72/02/64/384720264.db2.gz WLDHNXWURSHSDF-NXEZZACHSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1cccnc1 ZINC000173945222 384739688 /nfs/dbraw/zinc/73/96/88/384739688.db2.gz MTOFKDQMJASWRP-NSHDSACASA-N 1 2 244.298 1.198 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000193180750 384744958 /nfs/dbraw/zinc/74/49/58/384744958.db2.gz HJSWTWZPKZPHRT-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO CCOc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000193180750 384744968 /nfs/dbraw/zinc/74/49/68/384744968.db2.gz HJSWTWZPKZPHRT-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO CCOC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000176743135 384758293 /nfs/dbraw/zinc/75/82/93/384758293.db2.gz IHAPJXWZQBNSAI-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NC(C)C)s1 ZINC000126087188 384769187 /nfs/dbraw/zinc/76/91/87/384769187.db2.gz URWSZYQZFANZCZ-SECBINFHSA-N 1 2 241.360 1.627 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1nccs1 ZINC000126690106 384821623 /nfs/dbraw/zinc/82/16/23/384821623.db2.gz QKIVPFQOVRIGLV-CLAHSXSESA-N 1 2 232.374 1.342 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1nccs1 ZINC000126690106 384821632 /nfs/dbraw/zinc/82/16/32/384821632.db2.gz QKIVPFQOVRIGLV-CLAHSXSESA-N 1 2 232.374 1.342 20 0 BDADLO COC[C@@H]([NH2+]CCF)c1ccc(C)o1 ZINC000308596714 384832370 /nfs/dbraw/zinc/83/23/70/384832370.db2.gz MWDXJLLHWWPTDZ-SECBINFHSA-N 1 2 201.241 1.835 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000234792728 384834330 /nfs/dbraw/zinc/83/43/30/384834330.db2.gz LIQBMWFRKLDSOS-RNFRBKRXSA-N 1 2 242.710 1.692 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000234792728 384834337 /nfs/dbraw/zinc/83/43/37/384834337.db2.gz LIQBMWFRKLDSOS-RNFRBKRXSA-N 1 2 242.710 1.692 20 0 BDADLO COC(=O)COC[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000295812788 384788796 /nfs/dbraw/zinc/78/87/96/384788796.db2.gz UCQPDINKHGVWDP-JTQLQIEISA-N 1 2 238.287 1.380 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc2n(n1)CCCC2 ZINC000647288728 384801980 /nfs/dbraw/zinc/80/19/80/384801980.db2.gz MIEVWLMLBZNJLY-JTQLQIEISA-N 1 2 245.330 1.793 20 0 BDADLO Cn1cccc1C(=O)C[NH+]1CCSCC1 ZINC000084520978 384876126 /nfs/dbraw/zinc/87/61/26/384876126.db2.gz UNSNNXPYHVELND-UHFFFAOYSA-N 1 2 224.329 1.257 20 0 BDADLO C[C@@H](N[C@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000335277491 384887336 /nfs/dbraw/zinc/88/73/36/384887336.db2.gz IDDQVQJHPRRFAD-RQJHMYQMSA-N 1 2 219.210 1.868 20 0 BDADLO Cn1cc(CSc2[nH+]cc3ccccn32)nn1 ZINC000536451281 384843032 /nfs/dbraw/zinc/84/30/32/384843032.db2.gz XBESXWKJUWNKQW-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO C[N@H+](CCCOc1ccccc1)Cc1nnc[nH]1 ZINC000174822472 384843877 /nfs/dbraw/zinc/84/38/77/384843877.db2.gz BHGAEMBIRKGLMO-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO C[N@@H+](CCCOc1ccccc1)Cc1nnc[nH]1 ZINC000174822472 384843886 /nfs/dbraw/zinc/84/38/86/384843886.db2.gz BHGAEMBIRKGLMO-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO Cc1cnn(CC[NH2+][C@H](C)c2csnn2)c1 ZINC000398219440 384850234 /nfs/dbraw/zinc/85/02/34/384850234.db2.gz BRSQQCDCYRNRCB-SECBINFHSA-N 1 2 237.332 1.394 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+](C)CCSC)n1 ZINC000177045303 384854154 /nfs/dbraw/zinc/85/41/54/384854154.db2.gz MQVWRZFYPCWNGI-QMMMGPOBSA-N 1 2 245.348 1.572 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCSC)n1 ZINC000177045303 384854155 /nfs/dbraw/zinc/85/41/55/384854155.db2.gz MQVWRZFYPCWNGI-QMMMGPOBSA-N 1 2 245.348 1.572 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000055052397 384864461 /nfs/dbraw/zinc/86/44/61/384864461.db2.gz SQFBFJDVCIDFKH-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055052397 384864472 /nfs/dbraw/zinc/86/44/72/384864472.db2.gz SQFBFJDVCIDFKH-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cc(CO)ccc1F ZINC000528431855 384892246 /nfs/dbraw/zinc/89/22/46/384892246.db2.gz KNRPVXPCSSJNED-UHFFFAOYSA-N 1 2 249.289 1.673 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000336267401 384903413 /nfs/dbraw/zinc/90/34/13/384903413.db2.gz ONWKUFGTJJFZJI-CYBMUJFWSA-N 1 2 242.338 1.823 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000336267401 384903420 /nfs/dbraw/zinc/90/34/20/384903420.db2.gz ONWKUFGTJJFZJI-CYBMUJFWSA-N 1 2 242.338 1.823 20 0 BDADLO Cc1ccsc1CCNC(=O)Cn1cc[nH+]c1 ZINC000557307422 384905677 /nfs/dbraw/zinc/90/56/77/384905677.db2.gz YIUJSMPUDVVVEM-UHFFFAOYSA-N 1 2 249.339 1.612 20 0 BDADLO CCC[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000128722083 384961057 /nfs/dbraw/zinc/96/10/57/384961057.db2.gz YZYYLSYTWMNBMP-VIFPVBQESA-N 1 2 209.293 1.505 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000644495005 384913053 /nfs/dbraw/zinc/91/30/53/384913053.db2.gz JKONZPDKPGXQSG-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000644495005 384913058 /nfs/dbraw/zinc/91/30/58/384913058.db2.gz JKONZPDKPGXQSG-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000175504780 384916513 /nfs/dbraw/zinc/91/65/13/384916513.db2.gz YQVAOZSSXGCWOV-GFCCVEGCSA-N 1 2 249.358 1.943 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000175504780 384916516 /nfs/dbraw/zinc/91/65/16/384916516.db2.gz YQVAOZSSXGCWOV-GFCCVEGCSA-N 1 2 249.358 1.943 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cncc(O)c1 ZINC000109041620 384934164 /nfs/dbraw/zinc/93/41/64/384934164.db2.gz JHYBVCNESLJYGJ-UHFFFAOYSA-N 1 2 229.239 1.743 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000187309477 384934738 /nfs/dbraw/zinc/93/47/38/384934738.db2.gz HMRFGXFLSOUXEY-CQSZACIVSA-N 1 2 247.342 1.572 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000187309477 384934750 /nfs/dbraw/zinc/93/47/50/384934750.db2.gz HMRFGXFLSOUXEY-CQSZACIVSA-N 1 2 247.342 1.572 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000310289260 384943272 /nfs/dbraw/zinc/94/32/72/384943272.db2.gz JZSSQGGPNMMNEK-VIFPVBQESA-N 1 2 234.307 1.433 20 0 BDADLO COC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000106935407 384946706 /nfs/dbraw/zinc/94/67/06/384946706.db2.gz APHXVLQYSIRIKE-JTQLQIEISA-N 1 2 219.284 1.779 20 0 BDADLO COC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000106935407 384946714 /nfs/dbraw/zinc/94/67/14/384946714.db2.gz APHXVLQYSIRIKE-JTQLQIEISA-N 1 2 219.284 1.779 20 0 BDADLO C[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)[C@H]1C ZINC000291853414 384972375 /nfs/dbraw/zinc/97/23/75/384972375.db2.gz JTPSBRSGFBBOHZ-UWVGGRQHSA-N 1 2 236.319 1.360 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCC[C@H]1O ZINC000187670687 384973349 /nfs/dbraw/zinc/97/33/49/384973349.db2.gz VXUNVFVEAPIIFV-VXGBXAGGSA-N 1 2 249.314 1.815 20 0 BDADLO CC(C)c1nc(N[C@H](C)C[S@](C)=O)cc[nH+]1 ZINC000302158718 384974753 /nfs/dbraw/zinc/97/47/53/384974753.db2.gz NMRKLAZEYRZJGI-ABKXIKBNSA-N 1 2 241.360 1.779 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000261326513 384975739 /nfs/dbraw/zinc/97/57/39/384975739.db2.gz QBWPIXJZYQTBHP-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000261326513 384975745 /nfs/dbraw/zinc/97/57/45/384975745.db2.gz QBWPIXJZYQTBHP-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000115574095 384980717 /nfs/dbraw/zinc/98/07/17/384980717.db2.gz ZCPCVZIPVKIPAZ-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000115574095 384980724 /nfs/dbraw/zinc/98/07/24/384980724.db2.gz ZCPCVZIPVKIPAZ-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000336305211 385002807 /nfs/dbraw/zinc/00/28/07/385002807.db2.gz BAMPOBZIKBCVSC-MEBBXXQBSA-N 1 2 235.368 1.968 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000336305211 385002815 /nfs/dbraw/zinc/00/28/15/385002815.db2.gz BAMPOBZIKBCVSC-MEBBXXQBSA-N 1 2 235.368 1.968 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCOC1 ZINC000107290280 384962230 /nfs/dbraw/zinc/96/22/30/384962230.db2.gz JOFCASNPEUHKOR-SNVBAGLBSA-N 1 2 220.272 1.755 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107291712 384962790 /nfs/dbraw/zinc/96/27/90/384962790.db2.gz NTUDPUPKYWUOSI-VIFPVBQESA-N 1 2 208.261 1.754 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000188494368 385058106 /nfs/dbraw/zinc/05/81/06/385058106.db2.gz VUKOGMNHTVZLGL-DTWKUNHWSA-N 1 2 241.360 1.661 20 0 BDADLO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000310026356 385058891 /nfs/dbraw/zinc/05/88/91/385058891.db2.gz PMNOLEZPVOULQX-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ocnc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000646948165 385078999 /nfs/dbraw/zinc/07/89/99/385078999.db2.gz ZVRQEWBBXBKGLG-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO C[C@@H](CC[S@](C)=O)Nc1cccc[nH+]1 ZINC000130130202 385023672 /nfs/dbraw/zinc/02/36/72/385023672.db2.gz VJABKLOYSNMUNI-LKFCYVNXSA-N 1 2 212.318 1.651 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000644620050 385027458 /nfs/dbraw/zinc/02/74/58/385027458.db2.gz ZQKKPYLTHGXGPQ-NEOSZVFXSA-N 1 2 245.326 1.906 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000644620050 385027466 /nfs/dbraw/zinc/02/74/66/385027466.db2.gz ZQKKPYLTHGXGPQ-NEOSZVFXSA-N 1 2 245.326 1.906 20 0 BDADLO Cc1cc(CC(=O)Nc2ccc(C)[nH+]c2C)[nH]n1 ZINC000176189043 385033978 /nfs/dbraw/zinc/03/39/78/385033978.db2.gz FMQBPYLNTDWIAV-UHFFFAOYSA-N 1 2 244.298 1.911 20 0 BDADLO COC1(C(=O)N2CCn3c[nH+]cc3C2)CCCC1 ZINC000335683937 385034263 /nfs/dbraw/zinc/03/42/63/385034263.db2.gz FUFPTJPXHHMBFM-UHFFFAOYSA-N 1 2 249.314 1.185 20 0 BDADLO Cn1ncc2c1nc[nH+]c2S[C@H]1CCOC1 ZINC000188287701 385036215 /nfs/dbraw/zinc/03/62/15/385036215.db2.gz UPEVHKQINOAWDD-ZETCQYMHSA-N 1 2 236.300 1.244 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)c1ccco1 ZINC000164777408 385038343 /nfs/dbraw/zinc/03/83/43/385038343.db2.gz VHSIYPKTPRQUEL-NSHDSACASA-N 1 2 221.260 1.000 20 0 BDADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1nccs1 ZINC000647464156 385047050 /nfs/dbraw/zinc/04/70/50/385047050.db2.gz RZNSFDNQYURMSZ-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1nccs1 ZINC000647464156 385047058 /nfs/dbraw/zinc/04/70/58/385047058.db2.gz RZNSFDNQYURMSZ-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC1(C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000530848888 385111082 /nfs/dbraw/zinc/11/10/82/385111082.db2.gz VEHIIWBVRRCCAB-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO Cc1cnc(C[N@@H+]2CCc3n[nH]cc3C2)cn1 ZINC000407949054 385113277 /nfs/dbraw/zinc/11/32/77/385113277.db2.gz FALMLRQPIYZEBN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cnc(C[N@H+]2CCc3n[nH]cc3C2)cn1 ZINC000407949054 385113279 /nfs/dbraw/zinc/11/32/79/385113279.db2.gz FALMLRQPIYZEBN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CCCCO2)c1Cl ZINC000236391932 385117710 /nfs/dbraw/zinc/11/77/10/385117710.db2.gz FKXFZOMQKMVIOR-ZETCQYMHSA-N 1 2 242.710 1.693 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CCCCO2)c1Cl ZINC000236391932 385117712 /nfs/dbraw/zinc/11/77/12/385117712.db2.gz FKXFZOMQKMVIOR-ZETCQYMHSA-N 1 2 242.710 1.693 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccco1 ZINC000061512783 385117802 /nfs/dbraw/zinc/11/78/02/385117802.db2.gz NZUNAYRAKURMHD-UHFFFAOYSA-N 1 2 219.244 1.285 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cccs1 ZINC000061512803 385118137 /nfs/dbraw/zinc/11/81/37/385118137.db2.gz RPFBWHIPGDCQDT-UHFFFAOYSA-N 1 2 235.312 1.754 20 0 BDADLO CC(=O)[C@H](C)CSc1nc(N)cc(C)[nH+]1 ZINC000088495739 385120608 /nfs/dbraw/zinc/12/06/08/385120608.db2.gz DUILTPTTZKSRBK-ZCFIWIBFSA-N 1 2 225.317 1.684 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C1CC1 ZINC000310568568 385121607 /nfs/dbraw/zinc/12/16/07/385121607.db2.gz YMOVKBCLHOGDHD-AAEUAGOBSA-N 1 2 241.331 1.343 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000061785110 385138531 /nfs/dbraw/zinc/13/85/31/385138531.db2.gz DEEIJYUXLQNALM-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000061785110 385138537 /nfs/dbraw/zinc/13/85/37/385138537.db2.gz DEEIJYUXLQNALM-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO Cc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000061779471 385138900 /nfs/dbraw/zinc/13/89/00/385138900.db2.gz GTBPSZZWIHMLCD-UHFFFAOYSA-N 1 2 241.356 1.471 20 0 BDADLO Cc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000061779471 385138901 /nfs/dbraw/zinc/13/89/01/385138901.db2.gz GTBPSZZWIHMLCD-UHFFFAOYSA-N 1 2 241.356 1.471 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000644671758 385087186 /nfs/dbraw/zinc/08/71/86/385087186.db2.gz VJELUEQEQCBMPN-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000644671758 385087193 /nfs/dbraw/zinc/08/71/93/385087193.db2.gz VJELUEQEQCBMPN-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)(C(=O)N1CC(C2CC2)C1)c1c[nH+]c[nH]1 ZINC000644685278 385105539 /nfs/dbraw/zinc/10/55/39/385105539.db2.gz JJJMYKZZABBUHO-UHFFFAOYSA-N 1 2 233.315 1.556 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@](C)(OC)C2)no1 ZINC000407949855 385106190 /nfs/dbraw/zinc/10/61/90/385106190.db2.gz QELBTHDLSJYVQM-GFCCVEGCSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@](C)(OC)C2)no1 ZINC000407949855 385106196 /nfs/dbraw/zinc/10/61/96/385106196.db2.gz QELBTHDLSJYVQM-GFCCVEGCSA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(C)[nH]1)c1c(C)noc1C ZINC000428356100 385195922 /nfs/dbraw/zinc/19/59/22/385195922.db2.gz SNXOKOYSBBSVJI-JTQLQIEISA-N 1 2 249.318 1.959 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CCOC1 ZINC000106886094 385149315 /nfs/dbraw/zinc/14/93/15/385149315.db2.gz HAMORCUHCNNOAL-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CCOC1 ZINC000106886094 385149321 /nfs/dbraw/zinc/14/93/21/385149321.db2.gz HAMORCUHCNNOAL-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO C[C@@H](CNC(=O)C1[C@@H]2CCC[C@H]12)Cn1cc[nH+]c1 ZINC000176829718 385152461 /nfs/dbraw/zinc/15/24/61/385152461.db2.gz TXRVXEJXJHVDPG-ACJTYDJDSA-N 1 2 247.342 1.682 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2O)c(C)[nH+]1 ZINC000176716890 385157049 /nfs/dbraw/zinc/15/70/49/385157049.db2.gz JFFGXPIKTCQTIW-RYUDHWBXSA-N 1 2 249.314 1.733 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cccnc2)C[C@@H](C)O1 ZINC000189462528 385157815 /nfs/dbraw/zinc/15/78/15/385157815.db2.gz FAFKBPJCIBPKET-DGCLKSJQSA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H](C)O1 ZINC000189462528 385157820 /nfs/dbraw/zinc/15/78/20/385157820.db2.gz FAFKBPJCIBPKET-DGCLKSJQSA-N 1 2 236.315 1.317 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cn1 ZINC000310763616 385162022 /nfs/dbraw/zinc/16/20/22/385162022.db2.gz LATILSNYEVQLHK-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO Cc1ccc(NC(=O)N2CCC[C@@H](O)C2)c(C)[nH+]1 ZINC000152237848 385164196 /nfs/dbraw/zinc/16/41/96/385164196.db2.gz IIFJRLOQUKEZHB-LLVKDONJSA-N 1 2 249.314 1.687 20 0 BDADLO Cc1ccc(NC(=O)NC[C@H](C)CO)c(C)[nH+]1 ZINC000152251966 385168936 /nfs/dbraw/zinc/16/89/36/385168936.db2.gz SWPAIYNGPLDOCB-QMMMGPOBSA-N 1 2 237.303 1.448 20 0 BDADLO C[N@H+](Cc1cscn1)CC1(CO)CC1 ZINC000190024511 385207306 /nfs/dbraw/zinc/20/73/06/385207306.db2.gz TVGPUKQODDHZDZ-UHFFFAOYSA-N 1 2 212.318 1.347 20 0 BDADLO C[N@@H+](Cc1cscn1)CC1(CO)CC1 ZINC000190024511 385207312 /nfs/dbraw/zinc/20/73/12/385207312.db2.gz TVGPUKQODDHZDZ-UHFFFAOYSA-N 1 2 212.318 1.347 20 0 BDADLO CN(CC(=O)NC1CC1)c1cc[nH+]c(C2CC2)n1 ZINC000110117492 385211532 /nfs/dbraw/zinc/21/15/32/385211532.db2.gz XJUXIAYGPMSQCN-UHFFFAOYSA-N 1 2 246.314 1.069 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1nccc(N)n1 ZINC000153062825 385235207 /nfs/dbraw/zinc/23/52/07/385235207.db2.gz LYXHABAIAJOZJB-UHFFFAOYSA-N 1 2 243.314 1.128 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1nccc(N)n1 ZINC000153062825 385235212 /nfs/dbraw/zinc/23/52/12/385235212.db2.gz LYXHABAIAJOZJB-UHFFFAOYSA-N 1 2 243.314 1.128 20 0 BDADLO CC1(C)CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1O ZINC000516957050 385257806 /nfs/dbraw/zinc/25/78/06/385257806.db2.gz ACMKVNUPSIZONN-SNVBAGLBSA-N 1 2 248.330 1.258 20 0 BDADLO CC1(C)CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1O ZINC000516957050 385257810 /nfs/dbraw/zinc/25/78/10/385257810.db2.gz ACMKVNUPSIZONN-SNVBAGLBSA-N 1 2 248.330 1.258 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH+]cn2C)no1 ZINC000292152438 385249772 /nfs/dbraw/zinc/24/97/72/385249772.db2.gz YUUMEXXBVFPSLB-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290683230 385253835 /nfs/dbraw/zinc/25/38/35/385253835.db2.gz IYFWJTCTBAFVHA-GXSJLCMTSA-N 1 2 236.319 1.408 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@H]1C ZINC000154164633 385304701 /nfs/dbraw/zinc/30/47/01/385304701.db2.gz QCOYJUGKIKESJB-PWSUYJOCSA-N 1 2 234.299 1.780 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@H]1C ZINC000154164633 385304706 /nfs/dbraw/zinc/30/47/06/385304706.db2.gz QCOYJUGKIKESJB-PWSUYJOCSA-N 1 2 234.299 1.780 20 0 BDADLO Cc1cnc(C[NH2+]C[C@H](C)N(C)C)s1 ZINC000294923515 385312007 /nfs/dbraw/zinc/31/20/07/385312007.db2.gz BRIDFXWUCUREIC-QMMMGPOBSA-N 1 2 213.350 1.491 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C=C1CCC1 ZINC000154322060 385318098 /nfs/dbraw/zinc/31/80/98/385318098.db2.gz KWGMHXYDTCNNBF-UHFFFAOYSA-N 1 2 219.288 1.489 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1nc2ccccc2s1 ZINC000191718674 385318757 /nfs/dbraw/zinc/31/87/57/385318757.db2.gz HLOVSMHDAJLWHJ-UHFFFAOYSA-N 1 2 249.339 1.604 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1nc2ccccc2s1 ZINC000191718674 385318767 /nfs/dbraw/zinc/31/87/67/385318767.db2.gz HLOVSMHDAJLWHJ-UHFFFAOYSA-N 1 2 249.339 1.604 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000358507970 385260127 /nfs/dbraw/zinc/26/01/27/385260127.db2.gz LIGXQPCEOIXHCD-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000358507970 385260133 /nfs/dbraw/zinc/26/01/33/385260133.db2.gz LIGXQPCEOIXHCD-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000424964834 385260340 /nfs/dbraw/zinc/26/03/40/385260340.db2.gz GFIRVPOWKYHKNP-UWVGGRQHSA-N 1 2 231.299 1.114 20 0 BDADLO COC[C@@H]([NH2+]Cc1cncn1C)c1ccco1 ZINC000177573856 385262891 /nfs/dbraw/zinc/26/28/91/385262891.db2.gz MLOPLIHHFUAWQX-LLVKDONJSA-N 1 2 235.287 1.490 20 0 BDADLO O=C(C1CC=CC1)N1CCn2c[nH+]cc2C1 ZINC000290979838 385266368 /nfs/dbraw/zinc/26/63/68/385266368.db2.gz VIONFQOWDDXKLU-UHFFFAOYSA-N 1 2 217.272 1.192 20 0 BDADLO C[C@@H](CCCO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000177698431 385275473 /nfs/dbraw/zinc/27/54/73/385275473.db2.gz ALJZCIRPOMZBSQ-JTQLQIEISA-N 1 2 247.298 1.225 20 0 BDADLO c1cnn([C@@H]2CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000157779324 385277607 /nfs/dbraw/zinc/27/76/07/385277607.db2.gz ZFUIKJZJTABGOS-GFCCVEGCSA-N 1 2 232.287 1.708 20 0 BDADLO c1cnn([C@@H]2CCC[N@H+](Cc3ccon3)C2)c1 ZINC000157779324 385277615 /nfs/dbraw/zinc/27/76/15/385277615.db2.gz ZFUIKJZJTABGOS-GFCCVEGCSA-N 1 2 232.287 1.708 20 0 BDADLO FC(F)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000147744250 385279440 /nfs/dbraw/zinc/27/94/40/385279440.db2.gz SZOZFSMNUHSIPI-UHFFFAOYSA-N 1 2 211.215 1.918 20 0 BDADLO COC[C@@H](C)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000308912566 385286633 /nfs/dbraw/zinc/28/66/33/385286633.db2.gz FAKVRAIVBTULAD-SCZZXKLOSA-N 1 2 209.293 1.412 20 0 BDADLO CCn1c(C)nnc1C[N@H+](C)CCSC ZINC000178507541 385288327 /nfs/dbraw/zinc/28/83/27/385288327.db2.gz QHHMUEUYCWCJKD-UHFFFAOYSA-N 1 2 228.365 1.401 20 0 BDADLO CCn1c(C)nnc1C[N@@H+](C)CCSC ZINC000178507541 385288331 /nfs/dbraw/zinc/28/83/31/385288331.db2.gz QHHMUEUYCWCJKD-UHFFFAOYSA-N 1 2 228.365 1.401 20 0 BDADLO CCCc1nc(C(=O)NCc2c[nH+]cn2C)co1 ZINC000362343726 385298955 /nfs/dbraw/zinc/29/89/55/385298955.db2.gz VZSUCOPBDDHPRA-UHFFFAOYSA-N 1 2 248.286 1.291 20 0 BDADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cocn1 ZINC000191946311 385337510 /nfs/dbraw/zinc/33/75/10/385337510.db2.gz IFPLZZXQVFEFEA-UHFFFAOYSA-N 1 2 240.303 1.838 20 0 BDADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cocn1 ZINC000191946311 385337514 /nfs/dbraw/zinc/33/75/14/385337514.db2.gz IFPLZZXQVFEFEA-UHFFFAOYSA-N 1 2 240.303 1.838 20 0 BDADLO CC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000309044340 385389227 /nfs/dbraw/zinc/38/92/27/385389227.db2.gz NJGJIHFZXPVYRA-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000643983688 385350352 /nfs/dbraw/zinc/35/03/52/385350352.db2.gz QXBXGZMCSMWVTE-XPUUQOCRSA-N 1 2 213.306 1.058 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364321002 385353544 /nfs/dbraw/zinc/35/35/44/385353544.db2.gz YCXDKGPTEFGGTF-QMMMGPOBSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364321002 385353548 /nfs/dbraw/zinc/35/35/48/385353548.db2.gz YCXDKGPTEFGGTF-QMMMGPOBSA-N 1 2 241.722 1.030 20 0 BDADLO C[S@](=O)C1(CNc2cccc[nH+]2)CCC1 ZINC000280715832 385359489 /nfs/dbraw/zinc/35/94/89/385359489.db2.gz IFQXCQSBOZJJTD-HNNXBMFYSA-N 1 2 224.329 1.795 20 0 BDADLO CCO[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178372896 385360653 /nfs/dbraw/zinc/36/06/53/385360653.db2.gz AGAXHMRLBWNNSL-SNVBAGLBSA-N 1 2 247.298 1.376 20 0 BDADLO CC[C@H]([NH2+]CCc1nccs1)C(=O)OC ZINC000168351723 385363401 /nfs/dbraw/zinc/36/34/01/385363401.db2.gz RBXGSZVFVVXXMI-QMMMGPOBSA-N 1 2 228.317 1.227 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CC(F)(F)F ZINC000154963800 385366291 /nfs/dbraw/zinc/36/62/91/385366291.db2.gz GFUNCYCVGUCXIL-UHFFFAOYSA-N 1 2 249.236 1.684 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000192990353 385380183 /nfs/dbraw/zinc/38/01/83/385380183.db2.gz RDGLFUFPOUMTQU-KOLCDFICSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000192990353 385380188 /nfs/dbraw/zinc/38/01/88/385380188.db2.gz RDGLFUFPOUMTQU-KOLCDFICSA-N 1 2 227.329 1.502 20 0 BDADLO CC[S@@](=O)Cc1cn2c(cccc2C)[nH+]1 ZINC000155246072 385383550 /nfs/dbraw/zinc/38/35/50/385383550.db2.gz PGHIAUJNWSVRBV-HNNXBMFYSA-N 1 2 222.313 1.911 20 0 BDADLO C[C@@H](CC(C)(C)O)Nc1[nH+]cnc2c1cnn2C ZINC000295080920 385424805 /nfs/dbraw/zinc/42/48/05/385424805.db2.gz XSETUZYOBIFGNY-QMMMGPOBSA-N 1 2 249.318 1.325 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000408013960 385404556 /nfs/dbraw/zinc/40/45/56/385404556.db2.gz HTRRUSDTXKJOPF-MRVPVSSYSA-N 1 2 242.348 1.477 20 0 BDADLO C[N@H+]1CCCC[C@@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000408013960 385404558 /nfs/dbraw/zinc/40/45/58/385404558.db2.gz HTRRUSDTXKJOPF-MRVPVSSYSA-N 1 2 242.348 1.477 20 0 BDADLO c1cncc(CC[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193731343 385408666 /nfs/dbraw/zinc/40/86/66/385408666.db2.gz YGDUXXHJPROEJG-AWEZNQCLSA-N 1 2 248.326 1.115 20 0 BDADLO c1cncc(CC[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193731343 385408669 /nfs/dbraw/zinc/40/86/69/385408669.db2.gz YGDUXXHJPROEJG-AWEZNQCLSA-N 1 2 248.326 1.115 20 0 BDADLO COC[C@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000181671945 385409033 /nfs/dbraw/zinc/40/90/33/385409033.db2.gz CBMOPEAAWYPSHP-LBPRGKRZSA-N 1 2 246.314 1.292 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC23CCOCC3)cc[nH+]1 ZINC000364394321 385409423 /nfs/dbraw/zinc/40/94/23/385409423.db2.gz VAZVWUYFZKRUEN-GFCCVEGCSA-N 1 2 246.310 1.567 20 0 BDADLO C[C@@H]([NH2+]Cc1ccncc1)c1ccon1 ZINC000309146343 385438154 /nfs/dbraw/zinc/43/81/54/385438154.db2.gz VFSGKRNWZIZPBA-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000309156112 385440830 /nfs/dbraw/zinc/44/08/30/385440830.db2.gz ZVIXHTATIPPUMR-NSHDSACASA-N 1 2 221.304 1.102 20 0 BDADLO Cc1cnn(CC[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000309156112 385440833 /nfs/dbraw/zinc/44/08/33/385440833.db2.gz ZVIXHTATIPPUMR-NSHDSACASA-N 1 2 221.304 1.102 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](CCSC(C)C)CCO1 ZINC000309159611 385441872 /nfs/dbraw/zinc/44/18/72/385441872.db2.gz GOCLMVBWXUWKPH-JTQLQIEISA-N 1 2 247.360 1.002 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](CCSC(C)C)CCO1 ZINC000309159611 385441874 /nfs/dbraw/zinc/44/18/74/385441874.db2.gz GOCLMVBWXUWKPH-JTQLQIEISA-N 1 2 247.360 1.002 20 0 BDADLO CC[C@@H]([NH2+]CC1(C(F)F)CC1)C(=O)OC ZINC000309167508 385445881 /nfs/dbraw/zinc/44/58/81/385445881.db2.gz JSZJEPLMBGKJSU-SSDOTTSWSA-N 1 2 221.247 1.573 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000170956516 385458098 /nfs/dbraw/zinc/45/80/98/385458098.db2.gz MSIRCJLRXWIKGS-ONGXEEELSA-N 1 2 220.272 1.754 20 0 BDADLO c1c(Cn2nnc(C3CC3)n2)[nH+]c2ccccn12 ZINC000170844222 385451117 /nfs/dbraw/zinc/45/11/17/385451117.db2.gz XPFRTAOGZVSGSK-UHFFFAOYSA-N 1 2 240.270 1.247 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492772150 385428509 /nfs/dbraw/zinc/42/85/09/385428509.db2.gz SQQRAZKXJVUAHE-VVCGMDSISA-N 1 2 235.287 1.107 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cn(C)cn1 ZINC000179068754 385437667 /nfs/dbraw/zinc/43/76/67/385437667.db2.gz JGWXEZUYCCTSED-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccncc2)C1 ZINC000157117739 385487868 /nfs/dbraw/zinc/48/78/68/385487868.db2.gz SXJXEFZPIQGXGY-GFCCVEGCSA-N 1 2 238.262 1.169 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccncc2)C1 ZINC000157117739 385487872 /nfs/dbraw/zinc/48/78/72/385487872.db2.gz SXJXEFZPIQGXGY-GFCCVEGCSA-N 1 2 238.262 1.169 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000179395850 385465140 /nfs/dbraw/zinc/46/51/40/385465140.db2.gz NZAGICJEOKDWJE-ONEGZZNKSA-N 1 2 237.274 1.944 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000179395850 385465141 /nfs/dbraw/zinc/46/51/41/385465141.db2.gz NZAGICJEOKDWJE-ONEGZZNKSA-N 1 2 237.274 1.944 20 0 BDADLO CN(Cc1cscn1)Cc1c[nH+]c[nH]1 ZINC000179627807 385480266 /nfs/dbraw/zinc/48/02/66/385480266.db2.gz DEHMZXDAVILJKR-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CN(Cc1cscn1)Cc1c[nH]c[nH+]1 ZINC000179627807 385480267 /nfs/dbraw/zinc/48/02/67/385480267.db2.gz DEHMZXDAVILJKR-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CC(C)n1cc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000179659994 385481971 /nfs/dbraw/zinc/48/19/71/385481971.db2.gz NCVINESSQRTTSF-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000179659994 385481974 /nfs/dbraw/zinc/48/19/74/385481974.db2.gz NCVINESSQRTTSF-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO CCN(CCO)c1cc[nH+]c(C(C)C)n1 ZINC000110600749 385495202 /nfs/dbraw/zinc/49/52/02/385495202.db2.gz GWZVJCBSRKNEFZ-UHFFFAOYSA-N 1 2 209.293 1.419 20 0 BDADLO c1cnn([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000111215751 385496538 /nfs/dbraw/zinc/49/65/38/385496538.db2.gz IMBPMKUGICYFAK-NSHDSACASA-N 1 2 231.303 1.443 20 0 BDADLO c1cnn([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000111215751 385496542 /nfs/dbraw/zinc/49/65/42/385496542.db2.gz IMBPMKUGICYFAK-NSHDSACASA-N 1 2 231.303 1.443 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1scnc1C ZINC000179900070 385498095 /nfs/dbraw/zinc/49/80/95/385498095.db2.gz GHRHSIMISUPSKR-SECBINFHSA-N 1 2 240.328 1.589 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1scnc1C ZINC000179900070 385498100 /nfs/dbraw/zinc/49/81/00/385498100.db2.gz GHRHSIMISUPSKR-SECBINFHSA-N 1 2 240.328 1.589 20 0 BDADLO CC(C)(C)c1nc(=N[C@H]2CCC[C@@H]2C[NH3+])[nH]o1 ZINC000643011504 385509357 /nfs/dbraw/zinc/50/93/57/385509357.db2.gz UQXHYSXMIPYDOL-BDAKNGLRSA-N 1 2 238.335 1.328 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@@H]21 ZINC000493143966 385534672 /nfs/dbraw/zinc/53/46/72/385534672.db2.gz COXCCNRWQRXNNV-LDYOUVJNSA-N 1 2 231.299 1.537 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000106881388 385538114 /nfs/dbraw/zinc/53/81/14/385538114.db2.gz OBNVNQSZJXPYJO-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000106881388 385538119 /nfs/dbraw/zinc/53/81/19/385538119.db2.gz OBNVNQSZJXPYJO-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO c1cncc(C[N@@H+]2CCOCC23CC3)c1 ZINC000334427351 385548906 /nfs/dbraw/zinc/54/89/06/385548906.db2.gz HENPQJIINGDHLD-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO c1cncc(C[N@H+]2CCOCC23CC3)c1 ZINC000334427351 385548914 /nfs/dbraw/zinc/54/89/14/385548914.db2.gz HENPQJIINGDHLD-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO COC[C@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000171987624 385539340 /nfs/dbraw/zinc/53/93/40/385539340.db2.gz FHZLWTAESWLPMO-VIFPVBQESA-N 1 2 221.304 1.825 20 0 BDADLO c1[nH+]c2ccccn2c1CN1CCOCC12CC2 ZINC000334355829 385539983 /nfs/dbraw/zinc/53/99/83/385539983.db2.gz LKWCDOMLURXQLI-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000180806143 385547326 /nfs/dbraw/zinc/54/73/26/385547326.db2.gz ITASPLXMGVVIHL-NEPJUHHUSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000180806143 385547331 /nfs/dbraw/zinc/54/73/31/385547331.db2.gz ITASPLXMGVVIHL-NEPJUHHUSA-N 1 2 249.358 1.989 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ncn(C)n1 ZINC000282200520 385520775 /nfs/dbraw/zinc/52/07/75/385520775.db2.gz GTJKBFZUGCWPCW-VHSXEESVSA-N 1 2 246.314 1.933 20 0 BDADLO Cn1ccnc1SCCCn1cc[nH+]c1 ZINC000180428331 385523781 /nfs/dbraw/zinc/52/37/81/385523781.db2.gz HQSBXHLGOSBKGI-UHFFFAOYSA-N 1 2 222.317 1.799 20 0 BDADLO CCO/C=C\C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000493113392 385524077 /nfs/dbraw/zinc/52/40/77/385524077.db2.gz GCRRLKQVYRKIKF-YOOZJCNJSA-N 1 2 249.314 1.666 20 0 BDADLO Cc1cnc(CC[N@@H+](C)[C@@H]2CCOC2=O)s1 ZINC000157820824 385525066 /nfs/dbraw/zinc/52/50/66/385525066.db2.gz VLBAPNSLRZVDGP-SECBINFHSA-N 1 2 240.328 1.241 20 0 BDADLO Cc1cnc(CC[N@H+](C)[C@@H]2CCOC2=O)s1 ZINC000157820824 385525068 /nfs/dbraw/zinc/52/50/68/385525068.db2.gz VLBAPNSLRZVDGP-SECBINFHSA-N 1 2 240.328 1.241 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493119742 385526754 /nfs/dbraw/zinc/52/67/54/385526754.db2.gz PDXLIEMLQURHBA-HUGTUPKYSA-N 1 2 205.261 1.338 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2cc[nH]n2)cc1 ZINC000180847576 385551356 /nfs/dbraw/zinc/55/13/56/385551356.db2.gz AYIMRNRVAYKMFK-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2cc[nH]n2)cc1 ZINC000180847576 385551361 /nfs/dbraw/zinc/55/13/61/385551361.db2.gz AYIMRNRVAYKMFK-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO CN(C[C@@H]1CCCOC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493252922 385557587 /nfs/dbraw/zinc/55/75/87/385557587.db2.gz AVRNHXZRXITIOI-WYGGZMRJSA-N 1 2 249.314 1.308 20 0 BDADLO CN(C(=O)NCCCCn1cc[nH+]c1)C1CC1 ZINC000524518852 259670962 /nfs/dbraw/zinc/67/09/62/259670962.db2.gz WRQMRUIMZRYFJY-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334519985 385566684 /nfs/dbraw/zinc/56/66/84/385566684.db2.gz UOCXIHGSGJSSDD-LLVKDONJSA-N 1 2 221.279 1.898 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334519985 385566686 /nfs/dbraw/zinc/56/66/86/385566686.db2.gz UOCXIHGSGJSSDD-LLVKDONJSA-N 1 2 221.279 1.898 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](C)O)CCC(C)CC1 ZINC000309409040 385572408 /nfs/dbraw/zinc/57/24/08/385572408.db2.gz BKIMYQKVCYZFOW-YZRBJQDESA-N 1 2 229.320 1.079 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335182108 385599116 /nfs/dbraw/zinc/59/91/16/385599116.db2.gz YTOFRFXSTDMEHT-AOOOYVTPSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335182108 385599118 /nfs/dbraw/zinc/59/91/18/385599118.db2.gz YTOFRFXSTDMEHT-AOOOYVTPSA-N 1 2 207.277 1.081 20 0 BDADLO CC[C@](C)([NH2+]CCOCC(F)F)C(=O)OC ZINC000336676968 385606589 /nfs/dbraw/zinc/60/65/89/385606589.db2.gz BZTYUNBBTRTXAA-JTQLQIEISA-N 1 2 239.262 1.199 20 0 BDADLO CCC[C@@](C)([NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000262343015 385603990 /nfs/dbraw/zinc/60/39/90/385603990.db2.gz YYXQGOPHGHZGBJ-GFCCVEGCSA-N 1 2 247.302 1.414 20 0 BDADLO C[C@]1(C(=O)Nc2ccn3cc[nH+]c3c2)CCCO1 ZINC000280793894 385604297 /nfs/dbraw/zinc/60/42/97/385604297.db2.gz PFQOSBKPXHNQSV-CYBMUJFWSA-N 1 2 245.282 1.842 20 0 BDADLO COCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492813977 533131471 /nfs/dbraw/zinc/13/14/71/533131471.db2.gz RKWTTYHLZSYVSD-ARJAWSKDSA-N 1 2 249.314 1.356 20 0 BDADLO Cc1cc(NCc2ccc(F)cn2)nc[nH+]1 ZINC000336676873 385605769 /nfs/dbraw/zinc/60/57/69/385605769.db2.gz BYOZPGSCANVRBQ-UHFFFAOYSA-N 1 2 218.235 1.353 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1ccncc1 ZINC000041569033 385587829 /nfs/dbraw/zinc/58/78/29/385587829.db2.gz JGAGVELSXGKPEV-UHFFFAOYSA-N 1 2 244.298 1.488 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](OC)C(C)C)C1CC1 ZINC000309458658 385589615 /nfs/dbraw/zinc/58/96/15/385589615.db2.gz NHFHTCXLTHNQQZ-QWRGUYRKSA-N 1 2 229.320 1.199 20 0 BDADLO COC[C@@H]([NH2+]CC1CCCCC1)C(=O)OC ZINC000309463094 385593133 /nfs/dbraw/zinc/59/31/33/385593133.db2.gz OMNLTBJDZULCQG-LLVKDONJSA-N 1 2 229.320 1.344 20 0 BDADLO C[C@H](c1ccccn1)N1CCn2c[nH+]cc2C1 ZINC000647939476 385621006 /nfs/dbraw/zinc/62/10/06/385621006.db2.gz PLNWWIWJIVICOY-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO CCN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281036739 385630433 /nfs/dbraw/zinc/63/04/33/385630433.db2.gz PSCJGCKEFFVDRX-UHFFFAOYSA-N 1 2 218.260 1.818 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000365130430 385610043 /nfs/dbraw/zinc/61/00/43/385610043.db2.gz CMLNVYQTCLXTMH-GFCCVEGCSA-N 1 2 247.342 1.918 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000336677835 385611802 /nfs/dbraw/zinc/61/18/02/385611802.db2.gz CBQHUTPQIXMTFR-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@H](Cn1cncn1)[NH2+]C1(C(F)F)CC1 ZINC000336681885 385638677 /nfs/dbraw/zinc/63/86/77/385638677.db2.gz DDFLUIQZXWJQAC-MRVPVSSYSA-N 1 2 230.262 1.444 20 0 BDADLO CS[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000269838692 385639494 /nfs/dbraw/zinc/63/94/94/385639494.db2.gz NPWQMMAVSCRZAL-SECBINFHSA-N 1 2 227.333 1.141 20 0 BDADLO CO[C@](C)(CNc1cc(C)[nH+]cn1)C1CC1 ZINC000336683619 385648776 /nfs/dbraw/zinc/64/87/76/385648776.db2.gz ZDYDWHMSPKQZKZ-GFCCVEGCSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@H](F)CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307047796 385650658 /nfs/dbraw/zinc/65/06/58/385650658.db2.gz BMYATHFNFBLGGB-RVBZMBCESA-N 1 2 207.314 1.187 20 0 BDADLO C[C@H](F)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307047796 385650661 /nfs/dbraw/zinc/65/06/61/385650661.db2.gz BMYATHFNFBLGGB-RVBZMBCESA-N 1 2 207.314 1.187 20 0 BDADLO Nc1ncncc1CNc1cc[nH+]c(C2CC2)n1 ZINC000269947152 385653001 /nfs/dbraw/zinc/65/30/01/385653001.db2.gz IDDMAYLKTGUMSI-UHFFFAOYSA-N 1 2 242.286 1.338 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccn1C ZINC000281283781 385653229 /nfs/dbraw/zinc/65/32/29/385653229.db2.gz ONSUAZYUFNRBGP-LLVKDONJSA-N 1 2 238.331 1.799 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccn1C ZINC000281283781 385653230 /nfs/dbraw/zinc/65/32/30/385653230.db2.gz ONSUAZYUFNRBGP-LLVKDONJSA-N 1 2 238.331 1.799 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1cccnc1 ZINC000054763576 385656549 /nfs/dbraw/zinc/65/65/49/385656549.db2.gz XMVVMQSFUXXYQC-SECBINFHSA-N 1 2 202.261 1.656 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccccc1 ZINC000340003250 385659599 /nfs/dbraw/zinc/65/95/99/385659599.db2.gz AYHVQMPJRGVJMZ-UHFFFAOYSA-N 1 2 243.310 1.621 20 0 BDADLO Cc1nc(C(=O)Nc2ccc(C)[nH+]c2C)c[nH]1 ZINC000270047704 385661239 /nfs/dbraw/zinc/66/12/39/385661239.db2.gz FAYUDPZXBLXRTH-UHFFFAOYSA-N 1 2 230.271 1.982 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC2(C1)CCCC2 ZINC000365055946 385674221 /nfs/dbraw/zinc/67/42/21/385674221.db2.gz OEHXWXQAVGQTFA-UHFFFAOYSA-N 1 2 243.314 1.744 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000334597336 385675966 /nfs/dbraw/zinc/67/59/66/385675966.db2.gz KAFARMUVWGMVNX-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000334597336 385675972 /nfs/dbraw/zinc/67/59/72/385675972.db2.gz KAFARMUVWGMVNX-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO CCN(CC1CC1)C(=O)CCCn1cc[nH+]c1 ZINC000601663760 385717580 /nfs/dbraw/zinc/71/75/80/385717580.db2.gz FILWOJVLYKGTIL-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO c1nc(NC[C@H]2CCOC2)cc(NCC2CC2)[nH+]1 ZINC000270268695 385691022 /nfs/dbraw/zinc/69/10/22/385691022.db2.gz GDZUFVDHNWJZSE-LLVKDONJSA-N 1 2 248.330 1.747 20 0 BDADLO c1nc(NCC2CC2)cc(NC[C@H]2CCOC2)[nH+]1 ZINC000270268695 385691031 /nfs/dbraw/zinc/69/10/31/385691031.db2.gz GDZUFVDHNWJZSE-LLVKDONJSA-N 1 2 248.330 1.747 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645234615 385694306 /nfs/dbraw/zinc/69/43/06/385694306.db2.gz HHBOAHJXXLHKTE-GMTAPVOTSA-N 1 2 248.330 1.408 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCCN(C)C2=O)cs1 ZINC000309564110 385695685 /nfs/dbraw/zinc/69/56/85/385695685.db2.gz LUTAUNXNTWCTCJ-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO Cn1c[nH+]cc1CN(CC(F)(F)F)C1CC1 ZINC000270510063 385714015 /nfs/dbraw/zinc/71/40/15/385714015.db2.gz JNZQJFIABNZIDF-UHFFFAOYSA-N 1 2 233.237 1.947 20 0 BDADLO COC(=O)N[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000270567725 385718705 /nfs/dbraw/zinc/71/87/05/385718705.db2.gz MPMTUJPGLOKMIW-QMMMGPOBSA-N 1 2 237.259 1.073 20 0 BDADLO C[C@H]1OCC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270793286 385747137 /nfs/dbraw/zinc/74/71/37/385747137.db2.gz RWRRLYVHEDMKQA-KOLCDFICSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H]1OCC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270793286 385747142 /nfs/dbraw/zinc/74/71/42/385747142.db2.gz RWRRLYVHEDMKQA-KOLCDFICSA-N 1 2 248.330 1.888 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCCSC1)C(=O)OC ZINC000336739858 385786419 /nfs/dbraw/zinc/78/64/19/385786419.db2.gz SVEVTRWRCXLDJY-VHSXEESVSA-N 1 2 231.361 1.813 20 0 BDADLO Cc1nc(CC[N@@H+]2CCO[C@H](C)C2)cs1 ZINC000271106273 385786716 /nfs/dbraw/zinc/78/67/16/385786716.db2.gz OVKXAISUNVQXAW-SECBINFHSA-N 1 2 226.345 1.715 20 0 BDADLO Cc1nc(C[NH2+]Cc2ncccc2O)cs1 ZINC000336742336 385753557 /nfs/dbraw/zinc/75/35/57/385753557.db2.gz RUWZKHBTWRAFPL-UHFFFAOYSA-N 1 2 235.312 1.842 20 0 BDADLO Cc1nc(CC[N@H+]2CCO[C@H](C)C2)cs1 ZINC000271106273 385786720 /nfs/dbraw/zinc/78/67/20/385786720.db2.gz OVKXAISUNVQXAW-SECBINFHSA-N 1 2 226.345 1.715 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cocn1 ZINC000307386983 385758916 /nfs/dbraw/zinc/75/89/16/385758916.db2.gz KUMPPKUPHITFIL-AOOOYVTPSA-N 1 2 206.245 1.371 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cocn1 ZINC000307386983 385758919 /nfs/dbraw/zinc/75/89/19/385758919.db2.gz KUMPPKUPHITFIL-AOOOYVTPSA-N 1 2 206.245 1.371 20 0 BDADLO CCC(CC)[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC000230904961 385764498 /nfs/dbraw/zinc/76/44/98/385764498.db2.gz ULXJKWRBSPPYDM-NSHDSACASA-N 1 2 223.320 1.994 20 0 BDADLO Cc1ccncc1CN(C)Cc1[nH+]ccn1C ZINC000270970934 385765518 /nfs/dbraw/zinc/76/55/18/385765518.db2.gz CKTZXQLTESERBE-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO FCCN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000309646811 385766111 /nfs/dbraw/zinc/76/61/11/385766111.db2.gz QTIZUHWCILMOHO-JTQLQIEISA-N 1 2 220.251 1.453 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnn1C ZINC000270992209 385766426 /nfs/dbraw/zinc/76/64/26/385766426.db2.gz IKYWFAZXYHQUAA-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccnn1C ZINC000270992209 385766429 /nfs/dbraw/zinc/76/64/29/385766429.db2.gz IKYWFAZXYHQUAA-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CCc1cccnc1C(=O)NCc1[nH+]ccn1C ZINC000271103542 385787625 /nfs/dbraw/zinc/78/76/25/385787625.db2.gz LYDPHQFKHNZHKI-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CCSCCCNC(=O)CCn1cc[nH+]c1 ZINC000282668136 385777619 /nfs/dbraw/zinc/77/76/19/385777619.db2.gz NMIVJYIJOVAJSO-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO C[C@H]1C[C@@H]1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000488432109 385781174 /nfs/dbraw/zinc/78/11/74/385781174.db2.gz GPRLOIKDQZEUBQ-NWDGAFQWSA-N 1 2 247.342 1.408 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294003275 385784526 /nfs/dbraw/zinc/78/45/26/385784526.db2.gz SYEMTGPLBFIFKE-ZETCQYMHSA-N 1 2 231.242 1.483 20 0 BDADLO C[C@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000270592434 385721615 /nfs/dbraw/zinc/72/16/15/385721615.db2.gz SYGOUOQDWYIRNN-ZDUSSCGKSA-N 1 2 229.283 1.591 20 0 BDADLO C[C@@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000270592431 385721929 /nfs/dbraw/zinc/72/19/29/385721929.db2.gz SYGOUOQDWYIRNN-CYBMUJFWSA-N 1 2 229.283 1.591 20 0 BDADLO CCc1cc(N)nc(SCCCCO)[nH+]1 ZINC000336710991 385800814 /nfs/dbraw/zinc/80/08/14/385800814.db2.gz UCBRDCMWZBFHOK-UHFFFAOYSA-N 1 2 227.333 1.316 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)o1 ZINC000271181726 385800867 /nfs/dbraw/zinc/80/08/67/385800867.db2.gz HVIAEPVLCGPCOX-MMPTUQATSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)o1 ZINC000271181726 385800868 /nfs/dbraw/zinc/80/08/68/385800868.db2.gz HVIAEPVLCGPCOX-MMPTUQATSA-N 1 2 241.356 1.929 20 0 BDADLO Cn1cnc2cc(C[N@@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC000644838979 385856846 /nfs/dbraw/zinc/85/68/46/385856846.db2.gz VNUSYHXTCMCNHJ-KGLIPLIRSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cnc2cc(C[N@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC000644838979 385856850 /nfs/dbraw/zinc/85/68/50/385856850.db2.gz VNUSYHXTCMCNHJ-KGLIPLIRSA-N 1 2 243.310 1.546 20 0 BDADLO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccn[nH]2)c1 ZINC000283124843 385810628 /nfs/dbraw/zinc/81/06/28/385810628.db2.gz ZHCRSALOHBVSSA-CQSZACIVSA-N 1 2 245.326 1.850 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000271293264 385815001 /nfs/dbraw/zinc/81/50/01/385815001.db2.gz RSLUDCYYJNZVFX-CMPLNLGQSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000271293264 385815003 /nfs/dbraw/zinc/81/50/03/385815003.db2.gz RSLUDCYYJNZVFX-CMPLNLGQSA-N 1 2 223.320 1.311 20 0 BDADLO CC[C@H]1C[C@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000337887539 385818063 /nfs/dbraw/zinc/81/80/63/385818063.db2.gz ZAHPJABWGIXBHS-UWVGGRQHSA-N 1 2 245.330 1.988 20 0 BDADLO Cc1n[nH]c(C2CC[NH+](Cc3ccon3)CC2)n1 ZINC000365827155 385818078 /nfs/dbraw/zinc/81/80/78/385818078.db2.gz YHBVGPLIEATJHC-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3ccon3)CC2)n[nH]1 ZINC000365827155 385818080 /nfs/dbraw/zinc/81/80/80/385818080.db2.gz YHBVGPLIEATJHC-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc(C2CC[NH+](Cc3ccon3)CC2)[nH]1 ZINC000365827155 385818085 /nfs/dbraw/zinc/81/80/85/385818085.db2.gz YHBVGPLIEATJHC-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CCN(C)C(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000271427223 385827624 /nfs/dbraw/zinc/82/76/24/385827624.db2.gz ZUUHGCNQWUTDRV-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CCN(C)C(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000271427223 385827629 /nfs/dbraw/zinc/82/76/29/385827629.db2.gz ZUUHGCNQWUTDRV-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO Cc1ccc2[nH+]c(CNc3ncnn3C)cn2c1 ZINC000283887689 385838708 /nfs/dbraw/zinc/83/87/08/385838708.db2.gz LOJUVTMLQHNJRY-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1n[nH]cc1C ZINC000283877592 385839599 /nfs/dbraw/zinc/83/95/99/385839599.db2.gz FIFMFRIUEFYBEL-UHFFFAOYSA-N 1 2 238.335 1.196 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1n[nH]cc1C ZINC000283877592 385839603 /nfs/dbraw/zinc/83/96/03/385839603.db2.gz FIFMFRIUEFYBEL-UHFFFAOYSA-N 1 2 238.335 1.196 20 0 BDADLO CCC[C@H](C[N@H+]1CCc2cn[nH]c2C1)OC ZINC000638109719 385842770 /nfs/dbraw/zinc/84/27/70/385842770.db2.gz XTBFURQRSISFIB-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO Cc1coc(C)c1C(=O)NCc1[nH+]ccn1C ZINC000284168551 385855082 /nfs/dbraw/zinc/85/50/82/385855082.db2.gz YMQIXYFPAMECIM-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](O)C(C)C ZINC000271173173 385795945 /nfs/dbraw/zinc/79/59/45/385795945.db2.gz YKAZXFWFURKCDH-NSHDSACASA-N 1 2 237.303 1.528 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC(C)(C)CO ZINC000294746164 385891787 /nfs/dbraw/zinc/89/17/87/385891787.db2.gz HRBMPYUBKNZTBI-UHFFFAOYSA-N 1 2 211.309 1.168 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC(C)(C)CO ZINC000294746164 385891790 /nfs/dbraw/zinc/89/17/90/385891790.db2.gz HRBMPYUBKNZTBI-UHFFFAOYSA-N 1 2 211.309 1.168 20 0 BDADLO c1nc(N2CCCCC2)c2c([nH+]1)NCCO2 ZINC000647844248 385895490 /nfs/dbraw/zinc/89/54/90/385895490.db2.gz WQIUONBZQGQDBV-UHFFFAOYSA-N 1 2 220.276 1.271 20 0 BDADLO c1nc2c(c(N3CCCCC3)[nH+]1)OCCN2 ZINC000647844248 385895492 /nfs/dbraw/zinc/89/54/92/385895492.db2.gz WQIUONBZQGQDBV-UHFFFAOYSA-N 1 2 220.276 1.271 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1cscn1 ZINC000338110713 385899269 /nfs/dbraw/zinc/89/92/69/385899269.db2.gz FEHGNHYWMNKRBW-UHFFFAOYSA-N 1 2 236.300 1.046 20 0 BDADLO Cc1nocc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000294821889 385899616 /nfs/dbraw/zinc/89/96/16/385899616.db2.gz XQXAIDQFGNJGDB-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000294821889 385899617 /nfs/dbraw/zinc/89/96/17/385899617.db2.gz XQXAIDQFGNJGDB-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000408391819 385900812 /nfs/dbraw/zinc/90/08/12/385900812.db2.gz FFYVNPHUJWMNFV-SECBINFHSA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC000408391819 385900815 /nfs/dbraw/zinc/90/08/15/385900815.db2.gz FFYVNPHUJWMNFV-SECBINFHSA-N 1 2 238.335 1.059 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294827811 385901079 /nfs/dbraw/zinc/90/10/79/385901079.db2.gz NEBWTHLDHIWCGB-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294827811 385901084 /nfs/dbraw/zinc/90/10/84/385901084.db2.gz NEBWTHLDHIWCGB-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO c1cn(CCS[C@H]2CCCOC2)c[nH+]1 ZINC000272434602 385901770 /nfs/dbraw/zinc/90/17/70/385901770.db2.gz KDDROWGYPRTNMU-JTQLQIEISA-N 1 2 212.318 1.795 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccncc2C)CCO1 ZINC000294832353 385901875 /nfs/dbraw/zinc/90/18/75/385901875.db2.gz NNLNVQOAVNCQHL-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccncc2C)CCO1 ZINC000294832353 385901877 /nfs/dbraw/zinc/90/18/77/385901877.db2.gz NNLNVQOAVNCQHL-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1C(F)F ZINC000338161876 385905511 /nfs/dbraw/zinc/90/55/11/385905511.db2.gz LXEFOZLRXCLIDN-HRDYMLBCSA-N 1 2 243.257 1.289 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000294866958 385905900 /nfs/dbraw/zinc/90/59/00/385905900.db2.gz PXPXGELZFYRMQO-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cnccc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000294866958 385905902 /nfs/dbraw/zinc/90/59/02/385905902.db2.gz PXPXGELZFYRMQO-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO CC[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647856276 385906893 /nfs/dbraw/zinc/90/68/93/385906893.db2.gz WMCUUNBBWCQXCH-JTQLQIEISA-N 1 2 248.330 1.907 20 0 BDADLO CC[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647856276 385906895 /nfs/dbraw/zinc/90/68/95/385906895.db2.gz WMCUUNBBWCQXCH-JTQLQIEISA-N 1 2 248.330 1.907 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)no1 ZINC000123778631 385910828 /nfs/dbraw/zinc/91/08/28/385910828.db2.gz NXGLFTZZJUUDDP-MWLCHTKSSA-N 1 2 239.319 1.503 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)no1 ZINC000123778631 385910834 /nfs/dbraw/zinc/91/08/34/385910834.db2.gz NXGLFTZZJUUDDP-MWLCHTKSSA-N 1 2 239.319 1.503 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285307196 385912925 /nfs/dbraw/zinc/91/29/25/385912925.db2.gz LRLREZKZDSLOGJ-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285307196 385912927 /nfs/dbraw/zinc/91/29/27/385912927.db2.gz LRLREZKZDSLOGJ-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000294923153 385916801 /nfs/dbraw/zinc/91/68/01/385916801.db2.gz AZKABIWRAGDKGT-JTQLQIEISA-N 1 2 211.334 1.655 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000294923153 385916806 /nfs/dbraw/zinc/91/68/06/385916806.db2.gz AZKABIWRAGDKGT-JTQLQIEISA-N 1 2 211.334 1.655 20 0 BDADLO C[N@H+](CCc1cccs1)Cc1cnn[nH]1 ZINC000294921749 385917459 /nfs/dbraw/zinc/91/74/59/385917459.db2.gz ILQHBXFRUOXXPG-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1cccs1)Cc1cnn[nH]1 ZINC000294921749 385917462 /nfs/dbraw/zinc/91/74/62/385917462.db2.gz ILQHBXFRUOXXPG-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@H+](CCc1cccs1)Cc1c[nH]nn1 ZINC000294921749 385917467 /nfs/dbraw/zinc/91/74/67/385917467.db2.gz ILQHBXFRUOXXPG-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1cccs1)Cc1c[nH]nn1 ZINC000294921749 385917470 /nfs/dbraw/zinc/91/74/70/385917470.db2.gz ILQHBXFRUOXXPG-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@H+](CCc1cccs1)Cc1cn[nH]n1 ZINC000294921749 385917473 /nfs/dbraw/zinc/91/74/73/385917473.db2.gz ILQHBXFRUOXXPG-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1cccs1)Cc1cn[nH]n1 ZINC000294921749 385917477 /nfs/dbraw/zinc/91/74/77/385917477.db2.gz ILQHBXFRUOXXPG-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1C(F)F)c1[nH]cc[nH+]1 ZINC000338218859 385918904 /nfs/dbraw/zinc/91/89/04/385918904.db2.gz CVDREBLDQBTWLO-PRJMDXOYSA-N 1 2 243.257 1.878 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)nn1 ZINC000335033967 385924047 /nfs/dbraw/zinc/92/40/47/385924047.db2.gz ZENLGJSWIRAAAK-CYBMUJFWSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@H]2c2ccccc2)nn1 ZINC000335033967 385924053 /nfs/dbraw/zinc/92/40/53/385924053.db2.gz ZENLGJSWIRAAAK-CYBMUJFWSA-N 1 2 228.299 1.762 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)nc1 ZINC000271917590 385861233 /nfs/dbraw/zinc/86/12/33/385861233.db2.gz JUTUEINLRHTDDC-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)nc1 ZINC000271917590 385861235 /nfs/dbraw/zinc/86/12/35/385861235.db2.gz JUTUEINLRHTDDC-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO CC[N@H+](CCO)Cc1cc(F)ncc1F ZINC000294514571 385862096 /nfs/dbraw/zinc/86/20/96/385862096.db2.gz DPILHQRMKLVPOU-UHFFFAOYSA-N 1 2 216.231 1.174 20 0 BDADLO CC[N@@H+](CCO)Cc1cc(F)ncc1F ZINC000294514571 385862099 /nfs/dbraw/zinc/86/20/99/385862099.db2.gz DPILHQRMKLVPOU-UHFFFAOYSA-N 1 2 216.231 1.174 20 0 BDADLO CN(CC1(O)CCCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284345921 385863341 /nfs/dbraw/zinc/86/33/41/385863341.db2.gz JUIJJCDROZVIFN-SNAWJCMRSA-N 1 2 249.314 1.186 20 0 BDADLO Cn1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000271973582 385864345 /nfs/dbraw/zinc/86/43/45/385864345.db2.gz NFWDTNGKJYRAJZ-CQSZACIVSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000271973582 385864351 /nfs/dbraw/zinc/86/43/51/385864351.db2.gz NFWDTNGKJYRAJZ-CQSZACIVSA-N 1 2 245.326 1.586 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCSC1 ZINC000284406489 385866544 /nfs/dbraw/zinc/86/65/44/385866544.db2.gz NRFMAFRTWRJVEE-FSIBCCDJSA-N 1 2 237.328 1.435 20 0 BDADLO CC(C)C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000284505989 385872675 /nfs/dbraw/zinc/87/26/75/385872675.db2.gz VICDOSVJRRYJKI-ONEGZZNKSA-N 1 2 233.315 1.975 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cs1 ZINC000647735285 385875488 /nfs/dbraw/zinc/87/54/88/385875488.db2.gz ZDOGMTGALDGZFJ-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cs1 ZINC000647735285 385875492 /nfs/dbraw/zinc/87/54/92/385875492.db2.gz ZDOGMTGALDGZFJ-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO COc1nccnc1C[N@@H+]1CCSC[C@H]1C ZINC000294644567 385876863 /nfs/dbraw/zinc/87/68/63/385876863.db2.gz BCUPNRUYXARNCI-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO COc1nccnc1C[N@H+]1CCSC[C@H]1C ZINC000294644567 385876870 /nfs/dbraw/zinc/87/68/70/385876870.db2.gz BCUPNRUYXARNCI-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC2=CCCC2)[nH+]1 ZINC000338047135 385881132 /nfs/dbraw/zinc/88/11/32/385881132.db2.gz YNXBRRPUAREOJC-UHFFFAOYSA-N 1 2 247.346 1.580 20 0 BDADLO Cc1nc(NCCC2=CCCC2)nc(N(C)C)[nH+]1 ZINC000338047135 385881133 /nfs/dbraw/zinc/88/11/33/385881133.db2.gz YNXBRRPUAREOJC-UHFFFAOYSA-N 1 2 247.346 1.580 20 0 BDADLO CCCCCNC(=O)C[N@H+](C)Cc1cccnc1 ZINC000272187087 385882829 /nfs/dbraw/zinc/88/28/29/385882829.db2.gz JMMDTPDMTWVDTQ-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO CCCCCNC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000272187087 385882835 /nfs/dbraw/zinc/88/28/35/385882835.db2.gz JMMDTPDMTWVDTQ-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000148603102 385979440 /nfs/dbraw/zinc/97/94/40/385979440.db2.gz HJYFWZKZRITVFE-KWQFWETISA-N 1 2 209.293 1.375 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H](C)O1 ZINC000111694635 385980700 /nfs/dbraw/zinc/98/07/00/385980700.db2.gz QTZOYYZDPKWXDF-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H](C)O1 ZINC000111694635 385980710 /nfs/dbraw/zinc/98/07/10/385980710.db2.gz QTZOYYZDPKWXDF-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC1(O)CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425413397 385982111 /nfs/dbraw/zinc/98/21/11/385982111.db2.gz CNXIMRVPQWOMEZ-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO COC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000338381960 385984859 /nfs/dbraw/zinc/98/48/59/385984859.db2.gz BMOPZMFZFKFXEI-ZDUSSCGKSA-N 1 2 249.310 1.623 20 0 BDADLO COC(=O)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000338381960 385984864 /nfs/dbraw/zinc/98/48/64/385984864.db2.gz BMOPZMFZFKFXEI-ZDUSSCGKSA-N 1 2 249.310 1.623 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1ccccn1 ZINC000295202094 385991568 /nfs/dbraw/zinc/99/15/68/385991568.db2.gz SQNUESKKQWDFMB-SNVBAGLBSA-N 1 2 233.315 1.181 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccccn1 ZINC000295202094 385991572 /nfs/dbraw/zinc/99/15/72/385991572.db2.gz SQNUESKKQWDFMB-SNVBAGLBSA-N 1 2 233.315 1.181 20 0 BDADLO COC(=O)c1cnoc1C[NH+]1CCCC1 ZINC000286061214 385992362 /nfs/dbraw/zinc/99/23/62/385992362.db2.gz RTJDJQIQXLEDQF-UHFFFAOYSA-N 1 2 210.233 1.057 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](O)C2)s1 ZINC000338235075 385932750 /nfs/dbraw/zinc/93/27/50/385932750.db2.gz HCVFEFZTJDYRAX-CBAPKCEASA-N 1 2 227.333 1.364 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](O)C2)s1 ZINC000338235075 385932758 /nfs/dbraw/zinc/93/27/58/385932758.db2.gz HCVFEFZTJDYRAX-CBAPKCEASA-N 1 2 227.333 1.364 20 0 BDADLO O=C(CCCC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000643248078 385937480 /nfs/dbraw/zinc/93/74/80/385937480.db2.gz QISOEQLFUNLNNH-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1noc([C@@H]2CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000285534873 385939872 /nfs/dbraw/zinc/93/98/72/385939872.db2.gz FQZPBXRDYVFCIL-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO Cc1noc([C@@H]2CCCN2Cc2c[nH]c[nH+]2)n1 ZINC000285534873 385939877 /nfs/dbraw/zinc/93/98/77/385939877.db2.gz FQZPBXRDYVFCIL-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000295009792 385941243 /nfs/dbraw/zinc/94/12/43/385941243.db2.gz ZHGWZLQGJSJWIV-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cnccc1C[N@H+]1CCNC(=O)C1(C)C ZINC000295009792 385941250 /nfs/dbraw/zinc/94/12/50/385941250.db2.gz ZHGWZLQGJSJWIV-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CCC1 ZINC000335045931 385941224 /nfs/dbraw/zinc/94/12/24/385941224.db2.gz IAUZESFLVWMTNX-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000335047521 385943876 /nfs/dbraw/zinc/94/38/76/385943876.db2.gz VDIBUPIEJATGKP-RITPCOANSA-N 1 2 244.241 1.136 20 0 BDADLO Cc1nscc1C(=O)NCc1[nH]c[nH+]c1C ZINC000272917899 385949023 /nfs/dbraw/zinc/94/90/23/385949023.db2.gz NKOWLXRHHDMTGZ-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO CO[C@@H](C)Cn1c2ccccc2[nH+]c1NCCO ZINC000272933011 385952282 /nfs/dbraw/zinc/95/22/82/385952282.db2.gz TVGRJBRSZAAXBS-JTQLQIEISA-N 1 2 249.314 1.475 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000365208502 385956119 /nfs/dbraw/zinc/95/61/19/385956119.db2.gz ZKQLOMICEFJTHW-LBPRGKRZSA-N 1 2 247.342 1.926 20 0 BDADLO COC[C@]1(C)CCN(c2cccc[nH+]2)C1 ZINC000295063590 385956251 /nfs/dbraw/zinc/95/62/51/385956251.db2.gz YYCUGUNGTOAWRR-GFCCVEGCSA-N 1 2 206.289 1.944 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000355162461 385956934 /nfs/dbraw/zinc/95/69/34/385956934.db2.gz WSKMLBKDVZHCHF-UHTWSYAYSA-N 1 2 233.311 1.941 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nccn1C(C)C ZINC000285703979 385957537 /nfs/dbraw/zinc/95/75/37/385957537.db2.gz OKYDTIABYTXJBA-LLVKDONJSA-N 1 2 225.336 1.931 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nccn1C(C)C ZINC000285703979 385957541 /nfs/dbraw/zinc/95/75/41/385957541.db2.gz OKYDTIABYTXJBA-LLVKDONJSA-N 1 2 225.336 1.931 20 0 BDADLO COC[C@H](CNc1cc[nH+]c2ccncc12)OC ZINC000272999182 385958414 /nfs/dbraw/zinc/95/84/14/385958414.db2.gz RCRNRIXZVDJCOD-JTQLQIEISA-N 1 2 247.298 1.703 20 0 BDADLO CC/C=C/CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000295077977 385960584 /nfs/dbraw/zinc/96/05/84/385960584.db2.gz XILQHAFFVXNBMH-SNAWJCMRSA-N 1 2 232.291 1.324 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CC(=O)N(C(C)C)C1 ZINC000647864552 385969643 /nfs/dbraw/zinc/96/96/43/385969643.db2.gz GSUQIZSWELUPAX-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO COC[C@@H](CC(C)C)[NH2+]CC(F)(F)CO ZINC000336769297 385970952 /nfs/dbraw/zinc/97/09/52/385970952.db2.gz URURYZIENAONES-SECBINFHSA-N 1 2 225.279 1.265 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000295285847 386004456 /nfs/dbraw/zinc/00/44/56/386004456.db2.gz DKVISECOFUVISK-GFCCVEGCSA-N 1 2 241.262 1.669 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000295285847 386004460 /nfs/dbraw/zinc/00/44/60/386004460.db2.gz DKVISECOFUVISK-GFCCVEGCSA-N 1 2 241.262 1.669 20 0 BDADLO CC(C)c1nc(N2CC[C@](F)(CO)C2)cc[nH+]1 ZINC000338422768 386005345 /nfs/dbraw/zinc/00/53/45/386005345.db2.gz SFCKXPXTUBUBMF-GFCCVEGCSA-N 1 2 239.294 1.511 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000295302283 386007987 /nfs/dbraw/zinc/00/79/87/386007987.db2.gz JZWLBGMXQBNVIN-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000295302283 386007993 /nfs/dbraw/zinc/00/79/93/386007993.db2.gz JZWLBGMXQBNVIN-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cscn1)C1CC1 ZINC000336751473 386010322 /nfs/dbraw/zinc/01/03/22/386010322.db2.gz CZLJGXALTORZKP-SNVBAGLBSA-N 1 2 240.328 1.227 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cc[nH+]c(C)n1 ZINC000286272568 386016897 /nfs/dbraw/zinc/01/68/97/386016897.db2.gz HLIJBFFUYPSRKC-FFNLUWKOSA-N 1 2 245.326 1.645 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000414181255 386022209 /nfs/dbraw/zinc/02/22/09/386022209.db2.gz KWDRTAHWFAZRQX-OVYXKVPISA-N 1 2 242.344 1.516 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000189545543 386022682 /nfs/dbraw/zinc/02/26/82/386022682.db2.gz WEFYKHNEAGGBBE-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]1CCCC[C@@H]1C ZINC000414182688 386024259 /nfs/dbraw/zinc/02/42/59/386024259.db2.gz MDPDLQVFUIFGHW-GVXVVHGQSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@H]1CCCC[C@@H]1C ZINC000414182688 386024265 /nfs/dbraw/zinc/02/42/65/386024265.db2.gz MDPDLQVFUIFGHW-GVXVVHGQSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]1CCC[C@H](C)C1 ZINC000414185435 386025268 /nfs/dbraw/zinc/02/52/68/386025268.db2.gz ONHLGPNPWJAVTJ-GVXVVHGQSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@H]1CCC[C@H](C)C1 ZINC000414185435 386025271 /nfs/dbraw/zinc/02/52/71/386025271.db2.gz ONHLGPNPWJAVTJ-GVXVVHGQSA-N 1 2 224.348 1.981 20 0 BDADLO COC(=O)c1occc1C[NH2+]C(C)(C)CF ZINC000336771152 386025448 /nfs/dbraw/zinc/02/54/48/386025448.db2.gz UFQFGOQYVWPHPM-UHFFFAOYSA-N 1 2 229.251 1.904 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CO[C@H](C)C2)c[nH+]1 ZINC000335060822 386025800 /nfs/dbraw/zinc/02/58/00/386025800.db2.gz ZXVISCMCPXWBNK-NEPJUHHUSA-N 1 2 248.326 1.740 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@@H]1CCCC[C@@H]1C ZINC000414182689 386025926 /nfs/dbraw/zinc/02/59/26/386025926.db2.gz MDPDLQVFUIFGHW-LOWVWBTDSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@@H]1CCCC[C@@H]1C ZINC000414182689 386025932 /nfs/dbraw/zinc/02/59/32/386025932.db2.gz MDPDLQVFUIFGHW-LOWVWBTDSA-N 1 2 224.348 1.981 20 0 BDADLO c1cc(N2CC[C@]3(CCOC3)C2)nc(C2CC2)[nH+]1 ZINC000129135931 386031179 /nfs/dbraw/zinc/03/11/79/386031179.db2.gz HFWWRYLXOBRJQL-AWEZNQCLSA-N 1 2 245.326 1.971 20 0 BDADLO CC(C)c1nc(NCc2ccn(C)n2)cc[nH+]1 ZINC000345170574 386037493 /nfs/dbraw/zinc/03/74/93/386037493.db2.gz INBJLGXHZSNLMQ-UHFFFAOYSA-N 1 2 231.303 1.368 20 0 BDADLO FC(F)C[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000286436871 386039009 /nfs/dbraw/zinc/03/90/09/386039009.db2.gz LKOSJVQTMQHAHY-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO FC(F)C[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000286436871 386039012 /nfs/dbraw/zinc/03/90/12/386039012.db2.gz LKOSJVQTMQHAHY-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000295497434 386042905 /nfs/dbraw/zinc/04/29/05/386042905.db2.gz YCLDNTWNJOADDH-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000295497434 386042908 /nfs/dbraw/zinc/04/29/08/386042908.db2.gz YCLDNTWNJOADDH-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCCCC[N@@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000414205063 386043792 /nfs/dbraw/zinc/04/37/92/386043792.db2.gz IIOKDFPNYUFQSD-DGCLKSJQSA-N 1 2 240.347 1.504 20 0 BDADLO CCCCC[N@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000414205063 386043799 /nfs/dbraw/zinc/04/37/99/386043799.db2.gz IIOKDFPNYUFQSD-DGCLKSJQSA-N 1 2 240.347 1.504 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425422450 386044572 /nfs/dbraw/zinc/04/45/72/386044572.db2.gz PAJGYQRBUKSRIJ-JTQLQIEISA-N 1 2 247.245 1.354 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425422450 386044579 /nfs/dbraw/zinc/04/45/79/386044579.db2.gz PAJGYQRBUKSRIJ-JTQLQIEISA-N 1 2 247.245 1.354 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)c[nH]1 ZINC000334437893 386044743 /nfs/dbraw/zinc/04/47/43/386044743.db2.gz IUBRTLRABFYRPQ-UHFFFAOYSA-N 1 2 222.223 1.115 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC(C2CC2)C1 ZINC000643285664 386044828 /nfs/dbraw/zinc/04/48/28/386044828.db2.gz QTKQBJCYIFDLGV-LLVKDONJSA-N 1 2 245.326 1.314 20 0 BDADLO c1cn(CCc2nc(CCC3CC3)no2)c[nH+]1 ZINC000273864978 386044806 /nfs/dbraw/zinc/04/48/06/386044806.db2.gz CKOLNDKDJPRSKT-UHFFFAOYSA-N 1 2 232.287 1.851 20 0 BDADLO CCCc1noc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000273909253 386051740 /nfs/dbraw/zinc/05/17/40/386051740.db2.gz AKQAUYLKUPAQMF-QMMMGPOBSA-N 1 2 235.291 1.596 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000273913978 386051758 /nfs/dbraw/zinc/05/17/58/386051758.db2.gz AXXRHCGIIBJNMY-VIFPVBQESA-N 1 2 237.328 1.708 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000273913978 386051761 /nfs/dbraw/zinc/05/17/61/386051761.db2.gz AXXRHCGIIBJNMY-VIFPVBQESA-N 1 2 237.328 1.708 20 0 BDADLO CCC[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000189865571 386107702 /nfs/dbraw/zinc/10/77/02/386107702.db2.gz DQDFMZYAHVWGNJ-ZWNOBZJWSA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)N(Cc1c[nH+]cn1C)C1COC1 ZINC000295950496 386110419 /nfs/dbraw/zinc/11/04/19/386110419.db2.gz HBDLGCYGWABOJT-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC2(C)C)c[nH+]1 ZINC000287309628 386112756 /nfs/dbraw/zinc/11/27/56/386112756.db2.gz UQLAQSJTULGRNE-VIFPVBQESA-N 1 2 207.277 1.637 20 0 BDADLO CC/C=C/CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000295967702 386113043 /nfs/dbraw/zinc/11/30/43/386113043.db2.gz NYJOIMMHGFIECK-HWKANZROSA-N 1 2 243.310 1.959 20 0 BDADLO Cc1nc([C@H](C)Nc2[nH+]cnc3[nH]ccc32)n[nH]1 ZINC000286653046 386064549 /nfs/dbraw/zinc/06/45/49/386064549.db2.gz WPBSAYRAQGBSOD-LURJTMIESA-N 1 2 243.274 1.558 20 0 BDADLO COc1cc(C[N@@H+]2CCOCC23CC3)ccn1 ZINC000338593563 386064745 /nfs/dbraw/zinc/06/47/45/386064745.db2.gz SPZRKDWCNZOPPC-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cc(C[N@H+]2CCOCC23CC3)ccn1 ZINC000338593563 386064753 /nfs/dbraw/zinc/06/47/53/386064753.db2.gz SPZRKDWCNZOPPC-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCOC2)cc(C)[nH+]1 ZINC000335073175 386065582 /nfs/dbraw/zinc/06/55/82/386065582.db2.gz JMWOWBKUASHHBV-LBPRGKRZSA-N 1 2 234.299 1.351 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1ncnn1C ZINC000353209667 386066306 /nfs/dbraw/zinc/06/63/06/386066306.db2.gz NDJPWXBBAVISAZ-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000415372083 386066531 /nfs/dbraw/zinc/06/65/31/386066531.db2.gz UHZGSDIOOZAXEI-LBPRGKRZSA-N 1 2 236.315 1.812 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCOC[C@@H]2C)c[nH+]1 ZINC000286692489 386067826 /nfs/dbraw/zinc/06/78/26/386067826.db2.gz CSCKNKYFQMFCCA-WCBMZHEXSA-N 1 2 237.303 1.121 20 0 BDADLO C[NH2+]Cc1noc([C@@H](Cc2ccccc2)OC)n1 ZINC000414649574 386069517 /nfs/dbraw/zinc/06/95/17/386069517.db2.gz XAUYPQYXNPQRHP-LLVKDONJSA-N 1 2 247.298 1.719 20 0 BDADLO CC(C)n1ccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000345223218 386070688 /nfs/dbraw/zinc/07/06/88/386070688.db2.gz TTYKEWJWTCXXMT-UHFFFAOYSA-N 1 2 247.302 1.160 20 0 BDADLO Cc1cnc(CN2CCn3cc[nH+]c3C2)s1 ZINC000334440916 386071312 /nfs/dbraw/zinc/07/13/12/386071312.db2.gz YMQLLVTZWXBDII-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000189732594 386084971 /nfs/dbraw/zinc/08/49/71/386084971.db2.gz BBMADZGUDYVTEJ-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000189732594 386084976 /nfs/dbraw/zinc/08/49/76/386084976.db2.gz BBMADZGUDYVTEJ-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO C[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)[C@@H]1CO ZINC000189728075 386085739 /nfs/dbraw/zinc/08/57/39/386085739.db2.gz FXUNVUSAVQZMSP-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)[C@@H]1CO ZINC000189728075 386085741 /nfs/dbraw/zinc/08/57/41/386085741.db2.gz FXUNVUSAVQZMSP-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1c(Cl)cnn1C ZINC000189752540 386087083 /nfs/dbraw/zinc/08/70/83/386087083.db2.gz RBTMMOAXMZWYRE-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1c(Cl)cnn1C ZINC000189752540 386087087 /nfs/dbraw/zinc/08/70/87/386087087.db2.gz RBTMMOAXMZWYRE-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000334457939 386098235 /nfs/dbraw/zinc/09/82/35/386098235.db2.gz JFFIGERATGLFBQ-MFKMUULPSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@](C)(F)C1 ZINC000334457939 386098241 /nfs/dbraw/zinc/09/82/41/386098241.db2.gz JFFIGERATGLFBQ-MFKMUULPSA-N 1 2 242.338 1.868 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425479470 386151162 /nfs/dbraw/zinc/15/11/62/386151162.db2.gz OCXGPQFZAINGIE-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425479470 386151168 /nfs/dbraw/zinc/15/11/68/386151168.db2.gz OCXGPQFZAINGIE-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000263917978 386190167 /nfs/dbraw/zinc/19/01/67/386190167.db2.gz YMOWRNUTVNBNPJ-UHFFFAOYSA-N 1 2 218.260 1.063 20 0 BDADLO Cc1nscc1C(=O)Nc1cc[nH+]cc1C ZINC000334478319 386163734 /nfs/dbraw/zinc/16/37/34/386163734.db2.gz RHOZYUMPCDRHRK-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO CN(Cc1cccnc1)C(=O)CCn1cc[nH+]c1 ZINC000263670524 386165126 /nfs/dbraw/zinc/16/51/26/386165126.db2.gz KVQGVSWVKRLSBG-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccn1 ZINC000274946446 386165857 /nfs/dbraw/zinc/16/58/57/386165857.db2.gz GGNNOHSZFDUPSB-AAEUAGOBSA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccccn1 ZINC000274946446 386165863 /nfs/dbraw/zinc/16/58/63/386165863.db2.gz GGNNOHSZFDUPSB-AAEUAGOBSA-N 1 2 248.326 1.855 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425484775 386166994 /nfs/dbraw/zinc/16/69/94/386166994.db2.gz WCHGTQGJACQGKX-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000425484775 386167000 /nfs/dbraw/zinc/16/70/00/386167000.db2.gz WCHGTQGJACQGKX-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO CSCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000346167186 386173624 /nfs/dbraw/zinc/17/36/24/386173624.db2.gz AXALMCBYKOULLH-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)no1 ZINC000366933717 386183761 /nfs/dbraw/zinc/18/37/61/386183761.db2.gz MBKNQKQPXZLEHJ-QWRGUYRKSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)no1 ZINC000366933717 386183765 /nfs/dbraw/zinc/18/37/65/386183765.db2.gz MBKNQKQPXZLEHJ-QWRGUYRKSA-N 1 2 237.303 1.521 20 0 BDADLO CCC(CC)(CNc1nc(C)[nH+]c(N)n1)OC ZINC000310460649 386184690 /nfs/dbraw/zinc/18/46/90/386184690.db2.gz ASWPVOJOLJVJHM-UHFFFAOYSA-N 1 2 239.323 1.379 20 0 BDADLO CCC(CC)(CNc1nc(N)nc(C)[nH+]1)OC ZINC000310460649 386184697 /nfs/dbraw/zinc/18/46/97/386184697.db2.gz ASWPVOJOLJVJHM-UHFFFAOYSA-N 1 2 239.323 1.379 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1cncc(F)c1 ZINC000275139967 386185083 /nfs/dbraw/zinc/18/50/83/386185083.db2.gz OMHLUYXEWALBBG-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO COC(=O)c1occc1C[NH+]1CC(C)C1 ZINC000338954862 386185042 /nfs/dbraw/zinc/18/50/42/386185042.db2.gz ZETYPLIIEHEAAT-UHFFFAOYSA-N 1 2 209.245 1.518 20 0 BDADLO C[C@]1(O)CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000235730729 386187350 /nfs/dbraw/zinc/18/73/50/386187350.db2.gz APTNSXIUARUKJT-JTQLQIEISA-N 1 2 242.710 1.063 20 0 BDADLO C[C@]1(O)CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000235730729 386187354 /nfs/dbraw/zinc/18/73/54/386187354.db2.gz APTNSXIUARUKJT-JTQLQIEISA-N 1 2 242.710 1.063 20 0 BDADLO COC1(C)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000346211753 386188061 /nfs/dbraw/zinc/18/80/61/386188061.db2.gz WBIXAWNFCKMMNU-UHFFFAOYSA-N 1 2 232.287 1.491 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274611005 386129370 /nfs/dbraw/zinc/12/93/70/386129370.db2.gz ONCJEHQXBPTVJU-IJLUTSLNSA-N 1 2 235.331 1.680 20 0 BDADLO C[N@H+](Cc1nccs1)[C@H]1CCCOC1 ZINC000334469814 386141689 /nfs/dbraw/zinc/14/16/89/386141689.db2.gz HNIJXKBLPBIUGP-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[N@@H+](Cc1nccs1)[C@H]1CCCOC1 ZINC000334469814 386141693 /nfs/dbraw/zinc/14/16/93/386141693.db2.gz HNIJXKBLPBIUGP-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CCC[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000287688392 386142773 /nfs/dbraw/zinc/14/27/73/386142773.db2.gz CUZGFJRTYGDFMT-OOPCZODUSA-N 1 2 249.314 1.498 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000190073764 386143024 /nfs/dbraw/zinc/14/30/24/386143024.db2.gz BZIZIQPGTXGWDD-AAEUAGOBSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000190073764 386143029 /nfs/dbraw/zinc/14/30/29/386143029.db2.gz BZIZIQPGTXGWDD-AAEUAGOBSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1c[nH]c(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000288477847 386206856 /nfs/dbraw/zinc/20/68/56/386206856.db2.gz RGZOQVJIVNSDOJ-UHFFFAOYSA-N 1 2 219.248 1.013 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000297032732 386220326 /nfs/dbraw/zinc/22/03/26/386220326.db2.gz XMILPLYUGYFOGH-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cnccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000297032732 386220335 /nfs/dbraw/zinc/22/03/35/386220335.db2.gz XMILPLYUGYFOGH-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C(C)C)no1 ZINC000336649439 386260296 /nfs/dbraw/zinc/26/02/96/386260296.db2.gz GZCAIPOGXJXVKQ-VIFPVBQESA-N 1 2 227.308 1.660 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000336649439 386260303 /nfs/dbraw/zinc/26/03/03/386260303.db2.gz GZCAIPOGXJXVKQ-VIFPVBQESA-N 1 2 227.308 1.660 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CNC(=O)C2)c1Cl ZINC000309246855 386230605 /nfs/dbraw/zinc/23/06/05/386230605.db2.gz ZJHKZPRLURVFIN-SSDOTTSWSA-N 1 2 225.679 1.344 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](C)Cn2cccn2)no1 ZINC000264382324 386231584 /nfs/dbraw/zinc/23/15/84/386231584.db2.gz PTBNJGGHCNBSIP-JTQLQIEISA-N 1 2 249.318 1.397 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000275725486 386233293 /nfs/dbraw/zinc/23/32/93/386233293.db2.gz OJQDZLFEVQXBRV-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000275725486 386233297 /nfs/dbraw/zinc/23/32/97/386233297.db2.gz OJQDZLFEVQXBRV-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO O=C(C[NH+]1Cc2ccccc2C1)N1CCC1 ZINC000264418896 386234539 /nfs/dbraw/zinc/23/45/39/386234539.db2.gz SZPUZHABLKTVHZ-UHFFFAOYSA-N 1 2 216.284 1.235 20 0 BDADLO COC(=O)c1ccoc1C[N@H+](C)[C@@H]1CCOC1 ZINC000264402739 386235012 /nfs/dbraw/zinc/23/50/12/386235012.db2.gz HNQSXPKTWAGHMJ-SECBINFHSA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000264402739 386235017 /nfs/dbraw/zinc/23/50/17/386235017.db2.gz HNQSXPKTWAGHMJ-SECBINFHSA-N 1 2 239.271 1.287 20 0 BDADLO Cc1nonc1C[N@@H+]1CCCc2occc2C1 ZINC000288799525 386235187 /nfs/dbraw/zinc/23/51/87/386235187.db2.gz LTHGJKWZIXXGDS-UHFFFAOYSA-N 1 2 233.271 1.919 20 0 BDADLO Cc1nonc1C[N@H+]1CCCc2occc2C1 ZINC000288799525 386235192 /nfs/dbraw/zinc/23/51/92/386235192.db2.gz LTHGJKWZIXXGDS-UHFFFAOYSA-N 1 2 233.271 1.919 20 0 BDADLO CCC[C@]1(CO)CCN(c2cc[nH+]c(C)n2)C1 ZINC000288820860 386235303 /nfs/dbraw/zinc/23/53/03/386235303.db2.gz HMXWROBQLYPUSA-ZDUSSCGKSA-N 1 2 235.331 1.774 20 0 BDADLO COC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288871826 386236475 /nfs/dbraw/zinc/23/64/75/386236475.db2.gz QNUPJTWAOBSBFI-UHFFFAOYSA-N 1 2 209.245 1.201 20 0 BDADLO COC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288871826 386236479 /nfs/dbraw/zinc/23/64/79/386236479.db2.gz QNUPJTWAOBSBFI-UHFFFAOYSA-N 1 2 209.245 1.201 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000416155666 386237690 /nfs/dbraw/zinc/23/76/90/386237690.db2.gz DZKGEOPBJKUEIT-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1ccc(NC(=O)C(F)F)c(C)[nH+]1 ZINC000190174719 386238182 /nfs/dbraw/zinc/23/81/82/386238182.db2.gz XHONETQFMDJMSX-UHFFFAOYSA-N 1 2 200.188 1.902 20 0 BDADLO C[N@H+](CC(=O)OCc1ccccc1)[C@H]1CCOC1 ZINC000264453991 386239373 /nfs/dbraw/zinc/23/93/73/386239373.db2.gz ITSLVPWAXQUDIN-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO C[N@@H+](CC(=O)OCc1ccccc1)[C@H]1CCOC1 ZINC000264453991 386239376 /nfs/dbraw/zinc/23/93/76/386239376.db2.gz ITSLVPWAXQUDIN-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO O=C(c1ccncc1F)N1CC[NH+](C2CC2)CC1 ZINC000226225020 386240183 /nfs/dbraw/zinc/24/01/83/386240183.db2.gz RWAOVFKFZDYTGA-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO CC(C)CCCNC(=O)CCc1c[nH+]cn1C ZINC000339090355 386241078 /nfs/dbraw/zinc/24/10/78/386241078.db2.gz KHIZKLUNJCULSJ-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CO[C@H](C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275833138 386242599 /nfs/dbraw/zinc/24/25/99/386242599.db2.gz MJAVPFRZFMQRLD-ZYHUDNBSSA-N 1 2 246.314 1.519 20 0 BDADLO CSC[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000264513692 386242737 /nfs/dbraw/zinc/24/27/37/386242737.db2.gz YEMYCXMQBHYAKW-SECBINFHSA-N 1 2 241.360 1.378 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1ccccn1)C2 ZINC000647932613 386243774 /nfs/dbraw/zinc/24/37/74/386243774.db2.gz JEVGSPMBZRJJEK-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc(C)ccc2F)C1 ZINC000297433573 386254553 /nfs/dbraw/zinc/25/45/53/386254553.db2.gz NNPUEJPRKPAGFF-UHFFFAOYSA-N 1 2 236.290 1.454 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@H](C)CF)[nH+]1 ZINC000288387205 386193030 /nfs/dbraw/zinc/19/30/30/386193030.db2.gz ZXNVPENVIXDFMV-MRVPVSSYSA-N 1 2 241.314 1.831 20 0 BDADLO CC(C)c1nc(N[C@H](C)CF)nc(N(C)C)[nH+]1 ZINC000288387205 386193035 /nfs/dbraw/zinc/19/30/35/386193035.db2.gz ZXNVPENVIXDFMV-MRVPVSSYSA-N 1 2 241.314 1.831 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000428094403 386193571 /nfs/dbraw/zinc/19/35/71/386193571.db2.gz HGEOHOCNRPBYHZ-PEGIJTEDSA-N 1 2 219.288 1.188 20 0 BDADLO O=C(CC1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263938689 386193656 /nfs/dbraw/zinc/19/36/56/386193656.db2.gz HUWQWQWEQGCKTH-LLVKDONJSA-N 1 2 233.315 1.916 20 0 BDADLO CC(C)c1nc(NCCOCC2CC2)cc[nH+]1 ZINC000347147300 386261341 /nfs/dbraw/zinc/26/13/41/386261341.db2.gz MSEZFONHUSEUCW-UHFFFAOYSA-N 1 2 235.331 1.860 20 0 BDADLO CCCn1cc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338998565 386197711 /nfs/dbraw/zinc/19/77/11/386197711.db2.gz OEXINNUHDWCAHS-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCCn1cc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000338998565 386197717 /nfs/dbraw/zinc/19/77/17/386197717.db2.gz OEXINNUHDWCAHS-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO COCc1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000338996489 386198197 /nfs/dbraw/zinc/19/81/97/386198197.db2.gz AXSKWBROWKKPFZ-UHFFFAOYSA-N 1 2 237.299 1.791 20 0 BDADLO COCc1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000338996489 386198203 /nfs/dbraw/zinc/19/82/03/386198203.db2.gz AXSKWBROWKKPFZ-UHFFFAOYSA-N 1 2 237.299 1.791 20 0 BDADLO CCCC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191024399 386199187 /nfs/dbraw/zinc/19/91/87/386199187.db2.gz JIKAWYRFLXAEOF-IVZWLZJFSA-N 1 2 217.309 1.077 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356302323 386283998 /nfs/dbraw/zinc/28/39/98/386283998.db2.gz NHBNVZVDNOHAJE-CYBMUJFWSA-N 1 2 249.310 1.768 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356302323 386284017 /nfs/dbraw/zinc/28/40/17/386284017.db2.gz NHBNVZVDNOHAJE-CYBMUJFWSA-N 1 2 249.310 1.768 20 0 BDADLO CCCc1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000340585173 386284645 /nfs/dbraw/zinc/28/46/45/386284645.db2.gz PXDJTHVSVNFKSI-UHFFFAOYSA-N 1 2 248.286 1.589 20 0 BDADLO CCCc1nc(C)c(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000340585173 386284651 /nfs/dbraw/zinc/28/46/51/386284651.db2.gz PXDJTHVSVNFKSI-UHFFFAOYSA-N 1 2 248.286 1.589 20 0 BDADLO Cc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)no1 ZINC000276444184 386324426 /nfs/dbraw/zinc/32/44/26/386324426.db2.gz AXHBZYKNYMWCLZ-JTQLQIEISA-N 1 2 248.286 1.833 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000414397110 386290671 /nfs/dbraw/zinc/29/06/71/386290671.db2.gz QPYHQJXPSASQTQ-GFCCVEGCSA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000414397110 386290675 /nfs/dbraw/zinc/29/06/75/386290675.db2.gz QPYHQJXPSASQTQ-GFCCVEGCSA-N 1 2 225.288 1.435 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000289526468 386324521 /nfs/dbraw/zinc/32/45/21/386324521.db2.gz HJOLYWFNPMBBKQ-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000289526468 386324525 /nfs/dbraw/zinc/32/45/25/386324525.db2.gz HJOLYWFNPMBBKQ-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000335263827 386294823 /nfs/dbraw/zinc/29/48/23/386294823.db2.gz HQXSOUVDFSISKB-HWPZZCPQSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000335263827 386294825 /nfs/dbraw/zinc/29/48/25/386294825.db2.gz HQXSOUVDFSISKB-HWPZZCPQSA-N 1 2 241.356 1.931 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCOCC(F)F ZINC000276307343 386299740 /nfs/dbraw/zinc/29/97/40/386299740.db2.gz XYFVVZUPEBALRX-UHFFFAOYSA-N 1 2 233.262 1.134 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCOCC(F)F ZINC000276307343 386299744 /nfs/dbraw/zinc/29/97/44/386299744.db2.gz XYFVVZUPEBALRX-UHFFFAOYSA-N 1 2 233.262 1.134 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC1CC(O)C1 ZINC000091490484 386300066 /nfs/dbraw/zinc/30/00/66/386300066.db2.gz APHATDAVZGVNBM-UHFFFAOYSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC1CC(O)C1 ZINC000091490484 386300070 /nfs/dbraw/zinc/30/00/70/386300070.db2.gz APHATDAVZGVNBM-UHFFFAOYSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000289413234 386301082 /nfs/dbraw/zinc/30/10/82/386301082.db2.gz AMGLEJJNQPANLD-SECBINFHSA-N 1 2 238.335 1.111 20 0 BDADLO CC[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339230434 386307307 /nfs/dbraw/zinc/30/73/07/386307307.db2.gz HUFMXUNYMQFIFI-NEPJUHHUSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339230434 386307313 /nfs/dbraw/zinc/30/73/13/386307313.db2.gz HUFMXUNYMQFIFI-NEPJUHHUSA-N 1 2 240.347 1.154 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000425518429 386309485 /nfs/dbraw/zinc/30/94/85/386309485.db2.gz YVXPZGQDMXXRMW-GFCCVEGCSA-N 1 2 242.363 1.295 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000425518429 386309489 /nfs/dbraw/zinc/30/94/89/386309489.db2.gz YVXPZGQDMXXRMW-GFCCVEGCSA-N 1 2 242.363 1.295 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccncc1)c1[nH]cc[nH+]1 ZINC000276359436 386310351 /nfs/dbraw/zinc/31/03/51/386310351.db2.gz AANPLLUKNZZQPR-NSHDSACASA-N 1 2 244.298 1.932 20 0 BDADLO O=C(CCC1CC1)NCCNc1cccc[nH+]1 ZINC000265167640 386313942 /nfs/dbraw/zinc/31/39/42/386313942.db2.gz ICSJRDSRGZZXDM-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO Cc1occc1[S@@](=O)Cc1c[nH+]cn1C ZINC000276379933 386313999 /nfs/dbraw/zinc/31/39/99/386313999.db2.gz LEWQZOMQHJFQDF-HNNXBMFYSA-N 1 2 224.285 1.629 20 0 BDADLO CCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000298286501 386319070 /nfs/dbraw/zinc/31/90/70/386319070.db2.gz GBQOTPJGPMGSFD-UHFFFAOYSA-N 1 2 217.272 1.355 20 0 BDADLO CN(C)c1ccc(CNC(=O)CC2CC2)c[nH+]1 ZINC000298296010 386320880 /nfs/dbraw/zinc/32/08/80/386320880.db2.gz NFZQTBPXQJFGSV-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H]2CCCCO2)nc1 ZINC000336676100 386323624 /nfs/dbraw/zinc/32/36/24/386323624.db2.gz AMXPJECOIUHBAF-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCCO2)nc1 ZINC000336676100 386323629 /nfs/dbraw/zinc/32/36/29/386323629.db2.gz AMXPJECOIUHBAF-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000416318801 386276346 /nfs/dbraw/zinc/27/63/46/386276346.db2.gz GHCPHBSZXBISPP-IQJOONFLSA-N 1 2 235.331 1.764 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000416322106 386278769 /nfs/dbraw/zinc/27/87/69/386278769.db2.gz MGJREEAEEQYSGC-GRYCIOLGSA-N 1 2 249.358 1.856 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cncc(C)c2)n1 ZINC000340583080 386279277 /nfs/dbraw/zinc/27/92/77/386279277.db2.gz DMYHQEQWSLCLCP-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO C[C@H](O)CNc1cc(NC2CCC2)nc[nH+]1 ZINC000298436796 386342983 /nfs/dbraw/zinc/34/29/83/386342983.db2.gz XHAMJZSULAOQLB-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@H](O)CNc1cc(NC2CCC2)[nH+]cn1 ZINC000298436796 386342989 /nfs/dbraw/zinc/34/29/89/386342989.db2.gz XHAMJZSULAOQLB-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000289734227 386348178 /nfs/dbraw/zinc/34/81/78/386348178.db2.gz IAGYICRGJFYBLT-NSHDSACASA-N 1 2 227.283 1.015 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000289734227 386348183 /nfs/dbraw/zinc/34/81/83/386348183.db2.gz IAGYICRGJFYBLT-NSHDSACASA-N 1 2 227.283 1.015 20 0 BDADLO Cc1c[nH]nc1CNCc1cn2c([nH+]1)CCCC2 ZINC000289741542 386350859 /nfs/dbraw/zinc/35/08/59/386350859.db2.gz DXSKBZRHTCLHEJ-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC(C)=CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298496084 386353192 /nfs/dbraw/zinc/35/31/92/386353192.db2.gz APKMDQGESANPFN-JTQLQIEISA-N 1 2 236.319 1.647 20 0 BDADLO CC(C)=CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298496084 386353198 /nfs/dbraw/zinc/35/31/98/386353198.db2.gz APKMDQGESANPFN-JTQLQIEISA-N 1 2 236.319 1.647 20 0 BDADLO C[C@H]1C(=O)N(C)CN1c1[nH]c2ccccc2[nH+]1 ZINC000645397193 386354820 /nfs/dbraw/zinc/35/48/20/386354820.db2.gz NIHHZNPGVPCLIU-QMMMGPOBSA-N 1 2 230.271 1.187 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccnnc1)c1[nH]cc[nH+]1 ZINC000276629699 386356341 /nfs/dbraw/zinc/35/63/41/386356341.db2.gz PESGQYINLZDELE-SNVBAGLBSA-N 1 2 245.286 1.327 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]Cc2cccn2C)no1 ZINC000265651675 386357654 /nfs/dbraw/zinc/35/76/54/386357654.db2.gz NOFIBEGPUKUVGA-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO CC[N@H+](CCOC)Cc1csc(C)n1 ZINC000265657306 386358287 /nfs/dbraw/zinc/35/82/87/386358287.db2.gz WNLYGAGCUVRIIW-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO CC[N@@H+](CCOC)Cc1csc(C)n1 ZINC000265657306 386358290 /nfs/dbraw/zinc/35/82/90/386358290.db2.gz WNLYGAGCUVRIIW-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H]2CCOC2)cs1 ZINC000336691879 386362734 /nfs/dbraw/zinc/36/27/34/386362734.db2.gz CNEQUAIBAVBIJP-JTQLQIEISA-N 1 2 242.344 1.510 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H]2CCOC2)cs1 ZINC000336691879 386362737 /nfs/dbraw/zinc/36/27/37/386362737.db2.gz CNEQUAIBAVBIJP-JTQLQIEISA-N 1 2 242.344 1.510 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)nc1 ZINC000336691658 386364223 /nfs/dbraw/zinc/36/42/23/386364223.db2.gz HDHAKHZOWXOPGZ-NSHDSACASA-N 1 2 235.331 1.378 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](O)C(C)(C)C2)nc1 ZINC000336691658 386364227 /nfs/dbraw/zinc/36/42/27/386364227.db2.gz HDHAKHZOWXOPGZ-NSHDSACASA-N 1 2 235.331 1.378 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000298647351 386366370 /nfs/dbraw/zinc/36/63/70/386366370.db2.gz JUGDTUKARFDLAW-NSHDSACASA-N 1 2 238.335 1.569 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)N2CCCC2)n1 ZINC000347382501 386372771 /nfs/dbraw/zinc/37/27/71/386372771.db2.gz KGZWBPFZENMHKA-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)N2CCCC2)n1 ZINC000347382501 386372774 /nfs/dbraw/zinc/37/27/74/386372774.db2.gz KGZWBPFZENMHKA-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CC[N@H+](CCOC)Cc1ncnn1CC(C)C ZINC000347377370 386374531 /nfs/dbraw/zinc/37/45/31/386374531.db2.gz QMWIBIRTYDZIKU-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncnn1CC(C)C ZINC000347377370 386374535 /nfs/dbraw/zinc/37/45/35/386374535.db2.gz QMWIBIRTYDZIKU-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO COC[C@@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000265819768 386376303 /nfs/dbraw/zinc/37/63/03/386376303.db2.gz NNZKPCNIOSTVFK-SNVBAGLBSA-N 1 2 237.303 1.163 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)C2)nn1C ZINC000336697160 386378589 /nfs/dbraw/zinc/37/85/89/386378589.db2.gz HZIIVABQJJVCSY-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)C2)nn1C ZINC000336697160 386378595 /nfs/dbraw/zinc/37/85/95/386378595.db2.gz HZIIVABQJJVCSY-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO CC/C=C(\C)C(=O)NCCNc1cccc[nH+]1 ZINC000289973433 386380431 /nfs/dbraw/zinc/38/04/31/386380431.db2.gz XGLMGMUYUALINO-IZZDOVSWSA-N 1 2 233.315 1.966 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(F)C1 ZINC000347392766 386380628 /nfs/dbraw/zinc/38/06/28/386380628.db2.gz UPMZSXHCODFUBW-WPRPVWTQSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@](C)(F)C1 ZINC000347392766 386380632 /nfs/dbraw/zinc/38/06/32/386380632.db2.gz UPMZSXHCODFUBW-WPRPVWTQSA-N 1 2 203.257 1.372 20 0 BDADLO CC(C)c1nc(N2CCC[C@H]2CO)cc[nH+]1 ZINC000112966389 386381518 /nfs/dbraw/zinc/38/15/18/386381518.db2.gz LCHJNZYMYDXUER-JTQLQIEISA-N 1 2 221.304 1.561 20 0 BDADLO COC[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000336775418 386384632 /nfs/dbraw/zinc/38/46/32/386384632.db2.gz YYNGSRIAVMBOLL-WDEREUQCSA-N 1 2 227.304 1.120 20 0 BDADLO COC[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OC ZINC000336775416 386384856 /nfs/dbraw/zinc/38/48/56/386384856.db2.gz YYNGSRIAVMBOLL-MNOVXSKESA-N 1 2 227.304 1.120 20 0 BDADLO CCn1cc(C[NH2+]Cc2ncc(C)s2)cn1 ZINC000164842006 386331580 /nfs/dbraw/zinc/33/15/80/386331580.db2.gz QMTCJWQDDWHWKJ-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CN(Cc1ccco1)C(=O)CCc1c[nH+]cn1C ZINC000276504929 386334781 /nfs/dbraw/zinc/33/47/81/386334781.db2.gz IJBMJRHPCGTOKR-UHFFFAOYSA-N 1 2 247.298 1.604 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(C(C)(C)C)cc1=O ZINC000289638307 386335921 /nfs/dbraw/zinc/33/59/21/386335921.db2.gz FMBCNWLJJMIAKX-UHFFFAOYSA-N 1 2 245.326 1.928 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347342491 386338201 /nfs/dbraw/zinc/33/82/01/386338201.db2.gz DQPSTUNXMPOVLB-NSHDSACASA-N 1 2 216.300 1.337 20 0 BDADLO CCCCNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347342491 386338206 /nfs/dbraw/zinc/33/82/06/386338206.db2.gz DQPSTUNXMPOVLB-NSHDSACASA-N 1 2 216.300 1.337 20 0 BDADLO c1nc(NC[C@H]2CCCO2)cc(NCC2CC2)[nH+]1 ZINC000265447379 386338477 /nfs/dbraw/zinc/33/84/77/386338477.db2.gz SDLQCZIRYDTPSA-LLVKDONJSA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC2CC2)cc(NC[C@H]2CCCO2)[nH+]1 ZINC000265447379 386338482 /nfs/dbraw/zinc/33/84/82/386338482.db2.gz SDLQCZIRYDTPSA-LLVKDONJSA-N 1 2 248.330 1.889 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2csnn2)C1 ZINC000336717579 386438593 /nfs/dbraw/zinc/43/85/93/386438593.db2.gz YASLAWPTVIIPSB-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2csnn2)C1 ZINC000336717579 386438598 /nfs/dbraw/zinc/43/85/98/386438598.db2.gz YASLAWPTVIIPSB-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cocn2)C[C@H]1C ZINC000277636789 386452651 /nfs/dbraw/zinc/45/26/51/386452651.db2.gz NHYRIIXLWPCBPM-MWLCHTKSSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cocn2)C[C@H]1C ZINC000277636789 386452657 /nfs/dbraw/zinc/45/26/57/386452657.db2.gz NHYRIIXLWPCBPM-MWLCHTKSSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000299404816 386449132 /nfs/dbraw/zinc/44/91/32/386449132.db2.gz SLFKARIAEXLWIP-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccnc(N)c1 ZINC000299404816 386449138 /nfs/dbraw/zinc/44/91/38/386449138.db2.gz SLFKARIAEXLWIP-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000336704093 386392871 /nfs/dbraw/zinc/39/28/71/386392871.db2.gz PEDQCPPDEAXUCU-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000336704093 386392874 /nfs/dbraw/zinc/39/28/74/386392874.db2.gz PEDQCPPDEAXUCU-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)nc[nH+]1 ZINC000399115152 386415318 /nfs/dbraw/zinc/41/53/18/386415318.db2.gz XYARXJRELJENNB-TUAOUCFPSA-N 1 2 233.315 1.382 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cnc(C)s1 ZINC000299136544 386417879 /nfs/dbraw/zinc/41/78/79/386417879.db2.gz PQSYELWUYQIZMJ-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cnc(C)s1 ZINC000299136544 386417884 /nfs/dbraw/zinc/41/78/84/386417884.db2.gz PQSYELWUYQIZMJ-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)COC1CCCC1 ZINC000347492095 386422927 /nfs/dbraw/zinc/42/29/27/386422927.db2.gz GNOKWVANJZTIQM-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO COCCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347497134 386425081 /nfs/dbraw/zinc/42/50/81/386425081.db2.gz LZXZCIFVBZVNJS-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO Cc1cncc(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000266341321 386428782 /nfs/dbraw/zinc/42/87/82/386428782.db2.gz LUNQQRZEFDIPQV-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1csnn1 ZINC000353712476 386430041 /nfs/dbraw/zinc/43/00/41/386430041.db2.gz JPSIUUONISNYKO-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1csnn1 ZINC000353712476 386430052 /nfs/dbraw/zinc/43/00/52/386430052.db2.gz JPSIUUONISNYKO-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000336712285 386435059 /nfs/dbraw/zinc/43/50/59/386435059.db2.gz RRMMOIVYXBUJNU-WPRPVWTQSA-N 1 2 237.303 1.729 20 0 BDADLO CO[C@H]1CC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000336712285 386435063 /nfs/dbraw/zinc/43/50/63/386435063.db2.gz RRMMOIVYXBUJNU-WPRPVWTQSA-N 1 2 237.303 1.729 20 0 BDADLO CO[C@H]1CCCC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000266445186 386435831 /nfs/dbraw/zinc/43/58/31/386435831.db2.gz BIIQZAYBQPWOPM-ONGXEEELSA-N 1 2 237.303 1.406 20 0 BDADLO C[C@H](CO)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290691079 386467542 /nfs/dbraw/zinc/46/75/42/386467542.db2.gz MPZYOORMGVGQQQ-VIFPVBQESA-N 1 2 248.286 1.084 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC(C)C)CC2 ZINC000367823892 386467918 /nfs/dbraw/zinc/46/79/18/386467918.db2.gz WJGBMKQRPXBTES-UHFFFAOYSA-N 1 2 222.292 1.125 20 0 BDADLO CSCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000299563789 386468582 /nfs/dbraw/zinc/46/85/82/386468582.db2.gz ADXKWZVYZJWACY-UHFFFAOYSA-N 1 2 235.312 1.944 20 0 BDADLO C[NH+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000277804040 386468584 /nfs/dbraw/zinc/46/85/84/386468584.db2.gz GPXDYBYGGKCZBN-UHFFFAOYSA-N 1 2 235.262 1.861 20 0 BDADLO Cc1ccncc1C(=O)NCc1c[nH+]c[nH]1 ZINC000336329378 386469099 /nfs/dbraw/zinc/46/90/99/386469099.db2.gz MAGMBUZXTLYUJO-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ccncc1C(=O)NCc1c[nH]c[nH+]1 ZINC000336329378 386469102 /nfs/dbraw/zinc/46/91/02/386469102.db2.gz MAGMBUZXTLYUJO-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339571162 386469911 /nfs/dbraw/zinc/46/99/11/386469911.db2.gz BSSVPTRIXDBPQM-PRJMDXOYSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339571162 386469916 /nfs/dbraw/zinc/46/99/16/386469916.db2.gz BSSVPTRIXDBPQM-PRJMDXOYSA-N 1 2 238.253 1.394 20 0 BDADLO COCc1noc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339579271 386471781 /nfs/dbraw/zinc/47/17/81/386471781.db2.gz BJKPNVTVRVFMNY-HTQZYQBOSA-N 1 2 211.265 1.056 20 0 BDADLO COCc1noc(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339579271 386471782 /nfs/dbraw/zinc/47/17/82/386471782.db2.gz BJKPNVTVRVFMNY-HTQZYQBOSA-N 1 2 211.265 1.056 20 0 BDADLO CCCC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000299618976 386472408 /nfs/dbraw/zinc/47/24/08/386472408.db2.gz DMGSTOILEHGDQU-UHFFFAOYSA-N 1 2 223.320 1.968 20 0 BDADLO COCCc1noc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339574745 386473962 /nfs/dbraw/zinc/47/39/62/386473962.db2.gz RRQZFYRSCRGBOT-BDAKNGLRSA-N 1 2 225.292 1.099 20 0 BDADLO COCCc1noc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339574745 386473969 /nfs/dbraw/zinc/47/39/69/386473969.db2.gz RRQZFYRSCRGBOT-BDAKNGLRSA-N 1 2 225.292 1.099 20 0 BDADLO CC[C@H]1C(=O)NCCN1c1[nH]c2ccccc2[nH+]1 ZINC000290798884 386474610 /nfs/dbraw/zinc/47/46/10/386474610.db2.gz PIFGUSJYQXECKX-NSHDSACASA-N 1 2 244.298 1.278 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000335425559 386477636 /nfs/dbraw/zinc/47/76/36/386477636.db2.gz WIOKSVYQIFPTLD-UHFFFAOYSA-N 1 2 238.262 1.888 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000227374996 386482149 /nfs/dbraw/zinc/48/21/49/386482149.db2.gz BQJODOVAMMCVPM-NSHDSACASA-N 1 2 225.336 1.605 20 0 BDADLO COC[C@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000494954166 533172812 /nfs/dbraw/zinc/17/28/12/533172812.db2.gz GOSNNLFERWWODT-BAABZTOOSA-N 1 2 248.326 1.442 20 0 BDADLO COC[C@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000494954166 533172817 /nfs/dbraw/zinc/17/28/17/533172817.db2.gz GOSNNLFERWWODT-BAABZTOOSA-N 1 2 248.326 1.442 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000519605472 386503513 /nfs/dbraw/zinc/50/35/13/386503513.db2.gz MQXCBWHTXVCFND-ZETCQYMHSA-N 1 2 235.209 1.340 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)nn1 ZINC000336783771 386509071 /nfs/dbraw/zinc/50/90/71/386509071.db2.gz DQCKWOARPWRLTP-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)nn1 ZINC000336783771 386509072 /nfs/dbraw/zinc/50/90/72/386509072.db2.gz DQCKWOARPWRLTP-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1cc(N(CCO)CC2CC2)nc(C2CC2)[nH+]1 ZINC000343234259 386516762 /nfs/dbraw/zinc/51/67/62/386516762.db2.gz LJBNSNFBQUDQLN-UHFFFAOYSA-N 1 2 247.342 1.871 20 0 BDADLO CCc1nc(N2C[C@@H](O)CC[C@H]2C)cc(C)[nH+]1 ZINC000399342622 386517372 /nfs/dbraw/zinc/51/73/72/386517372.db2.gz UKGHDEHLVFHKDM-MNOVXSKESA-N 1 2 235.331 1.697 20 0 BDADLO COC1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC000408371996 386523214 /nfs/dbraw/zinc/52/32/14/386523214.db2.gz AJZYDNUBTUKMGP-UHFFFAOYSA-N 1 2 238.335 1.539 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000336780108 386524182 /nfs/dbraw/zinc/52/41/82/386524182.db2.gz QLSFFHNMADPOBG-IUCAKERBSA-N 1 2 246.332 1.148 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nnc(C2CC2)o1 ZINC000290591071 386455626 /nfs/dbraw/zinc/45/56/26/386455626.db2.gz XJWBJOUDEFEQLQ-MRVPVSSYSA-N 1 2 233.275 1.644 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000336721625 386456580 /nfs/dbraw/zinc/45/65/80/386456580.db2.gz ZOOCRGYGPBHIOJ-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000336721625 386456585 /nfs/dbraw/zinc/45/65/85/386456585.db2.gz ZOOCRGYGPBHIOJ-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCS1 ZINC000266652109 386458642 /nfs/dbraw/zinc/45/86/42/386458642.db2.gz ZSBFCPZSJJYNHP-NXEZZACHSA-N 1 2 239.344 1.283 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336726052 386460193 /nfs/dbraw/zinc/46/01/93/386460193.db2.gz VGQYQUHYIQEIEF-NSHDSACASA-N 1 2 237.347 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336726052 386460201 /nfs/dbraw/zinc/46/02/01/386460201.db2.gz VGQYQUHYIQEIEF-NSHDSACASA-N 1 2 237.347 1.810 20 0 BDADLO C[C@H](N(C)C(=O)CCn1cc[nH+]c1)C1(C)CC1 ZINC000267709456 386575700 /nfs/dbraw/zinc/57/57/00/386575700.db2.gz ILUQROGORSBXGX-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO Cc1ccoc1CNC(=O)NCCn1cc[nH+]c1 ZINC000291734863 386577706 /nfs/dbraw/zinc/57/77/06/386577706.db2.gz RUNXFMFMXHOURD-UHFFFAOYSA-N 1 2 248.286 1.284 20 0 BDADLO CCCCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC000278805872 386586024 /nfs/dbraw/zinc/58/60/24/386586024.db2.gz ZTUKNUTXEFCRAZ-UHFFFAOYSA-N 1 2 223.320 1.909 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C(C)C)CC2)c[nH+]1 ZINC000267806298 386587806 /nfs/dbraw/zinc/58/78/06/386587806.db2.gz LNGKLTLJDFQVFS-UHFFFAOYSA-N 1 2 221.304 1.884 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCSC1 ZINC000228584138 386588985 /nfs/dbraw/zinc/58/89/85/386588985.db2.gz DKSCOHAEDCAUDK-QMMMGPOBSA-N 1 2 249.343 1.528 20 0 BDADLO Cc1noc([C@H]2CC[N@@H+](Cc3noc(C)n3)C2)n1 ZINC000329033771 386597338 /nfs/dbraw/zinc/59/73/38/386597338.db2.gz MCWAISGCAPALAU-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO Cc1noc([C@H]2CC[N@H+](Cc3noc(C)n3)C2)n1 ZINC000329033771 386597346 /nfs/dbraw/zinc/59/73/46/386597346.db2.gz MCWAISGCAPALAU-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cccc3nccn32)C1 ZINC000335405572 386562929 /nfs/dbraw/zinc/56/29/29/386562929.db2.gz FRANOWKRWWBGQH-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000335405572 386562934 /nfs/dbraw/zinc/56/29/34/386562934.db2.gz FRANOWKRWWBGQH-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO F[C@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000335405572 386562940 /nfs/dbraw/zinc/56/29/40/386562940.db2.gz FRANOWKRWWBGQH-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO C/C=C(\C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000267621759 386563116 /nfs/dbraw/zinc/56/31/16/386563116.db2.gz ZQTXPQKVMLZVOP-KGVSQERTSA-N 1 2 248.326 1.890 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000062051637 386564392 /nfs/dbraw/zinc/56/43/92/386564392.db2.gz AGFVEEPMZVKVFU-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CC(C)n1nccc1CNc1ccc(CO)c[nH+]1 ZINC000291660558 386567431 /nfs/dbraw/zinc/56/74/31/386567431.db2.gz VJLQDDMSRSIXMZ-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccccc1 ZINC000278684883 386568169 /nfs/dbraw/zinc/56/81/69/386568169.db2.gz QMDKDGOBZGLBSH-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCc1ccccc1 ZINC000278684883 386568175 /nfs/dbraw/zinc/56/81/75/386568175.db2.gz QMDKDGOBZGLBSH-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO Cc1nc(C[NH2+][C@H](CO)c2ccccc2)[nH]c1C ZINC000519834224 386568446 /nfs/dbraw/zinc/56/84/46/386568446.db2.gz RWZBFXUEETWARI-CYBMUJFWSA-N 1 2 245.326 1.850 20 0 BDADLO Cc1[nH]c(CN[C@H](CO)c2ccccc2)[nH+]c1C ZINC000519834224 386568451 /nfs/dbraw/zinc/56/84/51/386568451.db2.gz RWZBFXUEETWARI-CYBMUJFWSA-N 1 2 245.326 1.850 20 0 BDADLO CCc1ncc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000414464814 386625742 /nfs/dbraw/zinc/62/57/42/386625742.db2.gz ZICDWICHDSCUHL-UHFFFAOYSA-N 1 2 233.315 1.402 20 0 BDADLO CCc1ncc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000414464814 386625744 /nfs/dbraw/zinc/62/57/44/386625744.db2.gz ZICDWICHDSCUHL-UHFFFAOYSA-N 1 2 233.315 1.402 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CCO)C(C)C ZINC000179256790 386629366 /nfs/dbraw/zinc/62/93/66/386629366.db2.gz KSJLYOSDPVCBRZ-UHFFFAOYSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CCO)C(C)C ZINC000179256790 386629369 /nfs/dbraw/zinc/62/93/69/386629369.db2.gz KSJLYOSDPVCBRZ-UHFFFAOYSA-N 1 2 240.351 1.199 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000644932832 386629421 /nfs/dbraw/zinc/62/94/21/386629421.db2.gz OJUFZVYKKRWWEJ-GFCCVEGCSA-N 1 2 236.315 1.185 20 0 BDADLO CCOCC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000644932832 386629422 /nfs/dbraw/zinc/62/94/22/386629422.db2.gz OJUFZVYKKRWWEJ-GFCCVEGCSA-N 1 2 236.315 1.185 20 0 BDADLO CCOCC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000644932833 386629979 /nfs/dbraw/zinc/62/99/79/386629979.db2.gz OJUFZVYKKRWWEJ-LBPRGKRZSA-N 1 2 236.315 1.185 20 0 BDADLO CCOCC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000644932833 386629986 /nfs/dbraw/zinc/62/99/86/386629986.db2.gz OJUFZVYKKRWWEJ-LBPRGKRZSA-N 1 2 236.315 1.185 20 0 BDADLO O=C(c1ccc(F)nc1)N1CCn2c[nH+]cc2C1 ZINC000292196435 386631163 /nfs/dbraw/zinc/63/11/63/386631163.db2.gz ZMEBPQKXEWVBKY-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccoc2)n(C)n1 ZINC000417744044 386631728 /nfs/dbraw/zinc/63/17/28/386631728.db2.gz XZSACNJOXWTIBB-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccoc2)n(C)n1 ZINC000417744044 386631736 /nfs/dbraw/zinc/63/17/36/386631736.db2.gz XZSACNJOXWTIBB-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CCC(CC)[S@](=O)Cc1c[nH+]cn1C ZINC000268236584 386631970 /nfs/dbraw/zinc/63/19/70/386631970.db2.gz WIEAUILRFCONBO-CQSZACIVSA-N 1 2 214.334 1.857 20 0 BDADLO COc1ncccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279111502 386632742 /nfs/dbraw/zinc/63/27/42/386632742.db2.gz BZZNISZLJILZDM-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCN1CC[N@H+](CCc2ccccn2)[C@@H](C)C1=O ZINC000425919218 386632727 /nfs/dbraw/zinc/63/27/27/386632727.db2.gz NHQAMKVNIWVXJV-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@@H+](CCc2ccccn2)[C@@H](C)C1=O ZINC000425919218 386632732 /nfs/dbraw/zinc/63/27/32/386632732.db2.gz NHQAMKVNIWVXJV-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000335504489 386634443 /nfs/dbraw/zinc/63/44/43/386634443.db2.gz UOAFYMJKJUIIBX-SNVBAGLBSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000335504489 386634449 /nfs/dbraw/zinc/63/44/49/386634449.db2.gz UOAFYMJKJUIIBX-SNVBAGLBSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1cc(NCCCc2ncccc2C)nc[nH+]1 ZINC000450723725 386641503 /nfs/dbraw/zinc/64/15/03/386641503.db2.gz JSYUNBITJMQKRZ-UHFFFAOYSA-N 1 2 242.326 1.955 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)[C@@H]2CCC[C@H]2O)n1 ZINC000335509510 386642476 /nfs/dbraw/zinc/64/24/76/386642476.db2.gz FMOYKJIQURJEEK-GHMZBOCLSA-N 1 2 243.738 1.419 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)n1 ZINC000335509510 386642478 /nfs/dbraw/zinc/64/24/78/386642478.db2.gz FMOYKJIQURJEEK-GHMZBOCLSA-N 1 2 243.738 1.419 20 0 BDADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000335510027 386642803 /nfs/dbraw/zinc/64/28/03/386642803.db2.gz AKLINDJVXKNTLT-JTQLQIEISA-N 1 2 235.331 1.702 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cncc(F)c1 ZINC000268403636 386648967 /nfs/dbraw/zinc/64/89/67/386648967.db2.gz GUJWDXGDZDYYQP-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCC[C@@H](C)O ZINC000278901961 386604304 /nfs/dbraw/zinc/60/43/04/386604304.db2.gz VAFCMPKLCVFKCX-SNVBAGLBSA-N 1 2 237.303 1.673 20 0 BDADLO CN(Cc1nncn1C)c1cc[nH+]c(C2CC2)n1 ZINC000291972074 386605951 /nfs/dbraw/zinc/60/59/51/386605951.db2.gz OZVVTVMASAJCCE-UHFFFAOYSA-N 1 2 244.302 1.119 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000335490068 386607943 /nfs/dbraw/zinc/60/79/43/386607943.db2.gz BFZYBPVLVHHVJP-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000292009985 386608335 /nfs/dbraw/zinc/60/83/35/386608335.db2.gz XTBDAYADFFLSAS-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000292009985 386608344 /nfs/dbraw/zinc/60/83/44/386608344.db2.gz XTBDAYADFFLSAS-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000335491971 386608742 /nfs/dbraw/zinc/60/87/42/386608742.db2.gz QQAXCQPRRWMLHB-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000278952112 386609312 /nfs/dbraw/zinc/60/93/12/386609312.db2.gz YXKKECNFYHAUIL-QMMMGPOBSA-N 1 2 243.253 1.958 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000278952112 386609314 /nfs/dbraw/zinc/60/93/14/386609314.db2.gz YXKKECNFYHAUIL-QMMMGPOBSA-N 1 2 243.253 1.958 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335491432 386610499 /nfs/dbraw/zinc/61/04/99/386610499.db2.gz NANLCXKAALUOQB-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](F)C1 ZINC000335493888 386613497 /nfs/dbraw/zinc/61/34/97/386613497.db2.gz ZJJQAVMJBWGOBR-NXEZZACHSA-N 1 2 237.278 1.016 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000414473360 386659285 /nfs/dbraw/zinc/65/92/85/386659285.db2.gz QINMCPYNOXFDEN-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000414473360 386659289 /nfs/dbraw/zinc/65/92/89/386659289.db2.gz QINMCPYNOXFDEN-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO COC1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414926418 386659301 /nfs/dbraw/zinc/65/93/01/386659301.db2.gz JJERNWZBUPAVFM-UHFFFAOYSA-N 1 2 222.279 1.128 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000414474419 386661572 /nfs/dbraw/zinc/66/15/72/386661572.db2.gz SGGLYFXVOZOFMQ-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000414474419 386661580 /nfs/dbraw/zinc/66/15/80/386661580.db2.gz SGGLYFXVOZOFMQ-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nc2ccccc2n1C ZINC000428118754 386662154 /nfs/dbraw/zinc/66/21/54/386662154.db2.gz GZFBTVLELJYFCO-UHFFFAOYSA-N 1 2 241.298 1.933 20 0 BDADLO O=C(/C=C/C1CC1)NCc1ccn2cc[nH+]c2c1 ZINC000268534087 386662703 /nfs/dbraw/zinc/66/27/03/386662703.db2.gz QYTWIXNAPRBEGB-ONEGZZNKSA-N 1 2 241.294 1.917 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nc2ccccc2[nH]1 ZINC000428122728 386663900 /nfs/dbraw/zinc/66/39/00/386663900.db2.gz UNMRNNYLQKOMLO-UHFFFAOYSA-N 1 2 227.271 1.922 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(C)c1 ZINC000268582930 386665608 /nfs/dbraw/zinc/66/56/08/386665608.db2.gz CWPILNKMJSXYRD-JTQLQIEISA-N 1 2 232.287 1.040 20 0 BDADLO CC(C)C[N@H+](CC(=O)[O-])Cc1cc[nH+]c(N)c1 ZINC000520416487 386670254 /nfs/dbraw/zinc/67/02/54/386670254.db2.gz GDIZLHKJQRLMCT-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CC(C)C[N@@H+](CC(=O)[O-])Cc1cc[nH+]c(N)c1 ZINC000520416487 386670261 /nfs/dbraw/zinc/67/02/61/386670261.db2.gz GDIZLHKJQRLMCT-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000520426515 386671247 /nfs/dbraw/zinc/67/12/47/386671247.db2.gz KWBPPRJHLLPLCF-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000520426515 386671255 /nfs/dbraw/zinc/67/12/55/386671255.db2.gz KWBPPRJHLLPLCF-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO CO[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000520426749 386672757 /nfs/dbraw/zinc/67/27/57/386672757.db2.gz QANHRUZAUZNHDK-JTQLQIEISA-N 1 2 247.298 1.407 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292445364 386673957 /nfs/dbraw/zinc/67/39/57/386673957.db2.gz OWVMIWXQIWAZOX-WDEREUQCSA-N 1 2 249.310 1.831 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292445364 386673962 /nfs/dbraw/zinc/67/39/62/386673962.db2.gz OWVMIWXQIWAZOX-WDEREUQCSA-N 1 2 249.310 1.831 20 0 BDADLO CCOc1nnc(C[N@H+](C)CC(C)(C)O)s1 ZINC000330363596 386674801 /nfs/dbraw/zinc/67/48/01/386674801.db2.gz LIJRMFNRBNXXLS-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)CC(C)(C)O)s1 ZINC000330363596 386674803 /nfs/dbraw/zinc/67/48/03/386674803.db2.gz LIJRMFNRBNXXLS-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO C[C@H](C(=O)Nc1ccc(N)[nH+]c1)C1CC1 ZINC000148741875 386678986 /nfs/dbraw/zinc/67/89/86/386678986.db2.gz YIATYZXEHTXTJS-ZETCQYMHSA-N 1 2 205.261 1.648 20 0 BDADLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000292495847 386679482 /nfs/dbraw/zinc/67/94/82/386679482.db2.gz UEHZMIIUHASEOW-JTQLQIEISA-N 1 2 236.319 1.151 20 0 BDADLO CC[C@H]1CC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000292495847 386679490 /nfs/dbraw/zinc/67/94/90/386679490.db2.gz UEHZMIIUHASEOW-JTQLQIEISA-N 1 2 236.319 1.151 20 0 BDADLO CC[C@@H](C)NC(=O)COc1cc[nH+]cc1 ZINC000292501078 386679986 /nfs/dbraw/zinc/67/99/86/386679986.db2.gz SNWPHOXHZHRODF-SECBINFHSA-N 1 2 208.261 1.375 20 0 BDADLO COC(=O)C[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000339831727 386681660 /nfs/dbraw/zinc/68/16/60/386681660.db2.gz STTBOJCFWKYMPK-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)C[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000339831727 386681666 /nfs/dbraw/zinc/68/16/66/386681666.db2.gz STTBOJCFWKYMPK-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO O=C([C@@H]1CCCOC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329376195 386658009 /nfs/dbraw/zinc/65/80/09/386658009.db2.gz ODPGHFMOOKCOIP-GHMZBOCLSA-N 1 2 249.314 1.500 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2cccnc2)cn1 ZINC000339855477 386709239 /nfs/dbraw/zinc/70/92/39/386709239.db2.gz TVEVWKCTIABWPS-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC000339855477 386709242 /nfs/dbraw/zinc/70/92/42/386709242.db2.gz TVEVWKCTIABWPS-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@H](CC1CC1)C(=O)OC ZINC000414488227 386709737 /nfs/dbraw/zinc/70/97/37/386709737.db2.gz LNUJIWXKLAQRRP-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000279479264 386689008 /nfs/dbraw/zinc/68/90/08/386689008.db2.gz QNOVPFBXZJFVKC-SNVBAGLBSA-N 1 2 235.331 1.908 20 0 BDADLO CCn1c[nH+]cc1CN(C)C(C)(C)C(=O)OC ZINC000417768803 386692050 /nfs/dbraw/zinc/69/20/50/386692050.db2.gz SCGPUHSOULBYPQ-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1[C@@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000442803983 386693055 /nfs/dbraw/zinc/69/30/55/386693055.db2.gz VEDPWLIRKKOFQJ-CSMHCCOUSA-N 1 2 243.257 1.878 20 0 BDADLO C[N@H+](Cc1cnn[nH]1)CC1(O)CCCCCC1 ZINC000450779096 386695062 /nfs/dbraw/zinc/69/50/62/386695062.db2.gz MTJWECJMRYUQAM-UHFFFAOYSA-N 1 2 238.335 1.322 20 0 BDADLO C[N@@H+](Cc1cnn[nH]1)CC1(O)CCCCCC1 ZINC000450779096 386695068 /nfs/dbraw/zinc/69/50/68/386695068.db2.gz MTJWECJMRYUQAM-UHFFFAOYSA-N 1 2 238.335 1.322 20 0 BDADLO C[N@H+](Cc1c[nH]nn1)CC1(O)CCCCCC1 ZINC000450779096 386695074 /nfs/dbraw/zinc/69/50/74/386695074.db2.gz MTJWECJMRYUQAM-UHFFFAOYSA-N 1 2 238.335 1.322 20 0 BDADLO C[N@@H+](Cc1c[nH]nn1)CC1(O)CCCCCC1 ZINC000450779096 386695079 /nfs/dbraw/zinc/69/50/79/386695079.db2.gz MTJWECJMRYUQAM-UHFFFAOYSA-N 1 2 238.335 1.322 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)CC1(O)CCCCCC1 ZINC000450779096 386695086 /nfs/dbraw/zinc/69/50/86/386695086.db2.gz MTJWECJMRYUQAM-UHFFFAOYSA-N 1 2 238.335 1.322 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)CC1(O)CCCCCC1 ZINC000450779096 386695091 /nfs/dbraw/zinc/69/50/91/386695091.db2.gz MTJWECJMRYUQAM-UHFFFAOYSA-N 1 2 238.335 1.322 20 0 BDADLO CCOC1CC([NH2+][C@@H](CC2CC2)C(=O)OC)C1 ZINC000414484009 386698597 /nfs/dbraw/zinc/69/85/97/386698597.db2.gz GDRRWSWNVAWDRY-MCIGGMRASA-N 1 2 241.331 1.485 20 0 BDADLO CCCC(CCC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000191963383 386731159 /nfs/dbraw/zinc/73/11/59/386731159.db2.gz PNUVIPCMPSWADB-MWLCHTKSSA-N 1 2 231.336 1.467 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCCCCC1)[C@H](C)O ZINC000191958890 386731674 /nfs/dbraw/zinc/73/16/74/386731674.db2.gz LKJMAWGAPQDVEV-GXSJLCMTSA-N 1 2 229.320 1.221 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H]1CCCSC1 ZINC000414496766 386737788 /nfs/dbraw/zinc/73/77/88/386737788.db2.gz ZLPLEXNPMGIJBF-GHMZBOCLSA-N 1 2 243.372 1.813 20 0 BDADLO CC(C)C[C@H](C)C[N@@H+]1CCOC[C@H]1C(N)=O ZINC000330392562 386712913 /nfs/dbraw/zinc/71/29/13/386712913.db2.gz PWUPXIVGLKNGFA-QWRGUYRKSA-N 1 2 228.336 1.905 20 0 BDADLO CC(C)C[C@H](C)C[N@H+]1CCOC[C@H]1C(N)=O ZINC000330392562 386712916 /nfs/dbraw/zinc/71/29/16/386712916.db2.gz PWUPXIVGLKNGFA-QWRGUYRKSA-N 1 2 228.336 1.905 20 0 BDADLO C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](C)[S@@]1=O ZINC000526988138 386724873 /nfs/dbraw/zinc/72/48/73/386724873.db2.gz ORZTVTKQMNXQOB-ICCCGROCSA-N 1 2 219.325 1.330 20 0 BDADLO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](C)[S@@]1=O ZINC000526988138 386724878 /nfs/dbraw/zinc/72/48/78/386724878.db2.gz ORZTVTKQMNXQOB-ICCCGROCSA-N 1 2 219.325 1.330 20 0 BDADLO C[NH+](C)[C@@H](CNCc1cocn1)c1ccco1 ZINC000192280133 386750006 /nfs/dbraw/zinc/75/00/06/386750006.db2.gz SMTPZNDAKNFBQN-NSHDSACASA-N 1 2 235.287 1.660 20 0 BDADLO O=C(CC1(O)CCCCC1)NCc1c[nH+]c[nH]1 ZINC000330497296 386750376 /nfs/dbraw/zinc/75/03/76/386750376.db2.gz XLBDMPLLZCKZOP-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO O=C(CC1(O)CCCCC1)NCc1c[nH]c[nH+]1 ZINC000330497296 386750382 /nfs/dbraw/zinc/75/03/82/386750382.db2.gz XLBDMPLLZCKZOP-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c(c2)OCO3)co1 ZINC000192279855 386750880 /nfs/dbraw/zinc/75/08/80/386750880.db2.gz RZMMURPVDUHIKH-UHFFFAOYSA-N 1 2 232.239 1.693 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000334152647 386752725 /nfs/dbraw/zinc/75/27/25/386752725.db2.gz XNYJFMNJFKHORM-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000334152647 386752730 /nfs/dbraw/zinc/75/27/30/386752730.db2.gz XNYJFMNJFKHORM-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO CCCCCSCC(=O)N1CC[NH+](C)CC1 ZINC000340710318 386760037 /nfs/dbraw/zinc/76/00/37/386760037.db2.gz FJJILAVUMZKFMA-UHFFFAOYSA-N 1 2 244.404 1.684 20 0 BDADLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCCO ZINC000293041320 386767201 /nfs/dbraw/zinc/76/72/01/386767201.db2.gz FBAFDJRKCGBHBM-VIFPVBQESA-N 1 2 228.723 1.901 20 0 BDADLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCO ZINC000293041320 386767207 /nfs/dbraw/zinc/76/72/07/386767207.db2.gz FBAFDJRKCGBHBM-VIFPVBQESA-N 1 2 228.723 1.901 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000340865460 386792606 /nfs/dbraw/zinc/79/26/06/386792606.db2.gz DWVZFHVCHZXMMC-LLVKDONJSA-N 1 2 236.319 1.142 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000340865460 386792612 /nfs/dbraw/zinc/79/26/12/386792612.db2.gz DWVZFHVCHZXMMC-LLVKDONJSA-N 1 2 236.319 1.142 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000340872442 386793058 /nfs/dbraw/zinc/79/30/58/386793058.db2.gz FCEIEKFKWQFLFF-CYBMUJFWSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC(C)(C)C ZINC000340872442 386793062 /nfs/dbraw/zinc/79/30/62/386793062.db2.gz FCEIEKFKWQFLFF-CYBMUJFWSA-N 1 2 242.363 1.402 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC000357500536 386793578 /nfs/dbraw/zinc/79/35/78/386793578.db2.gz NMGPEWHPRAQRRU-VWYCJHECSA-N 1 2 233.315 1.312 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CC=CCC1 ZINC000335904527 386793763 /nfs/dbraw/zinc/79/37/63/386793763.db2.gz BENDIOSIKZORMP-ZDUSSCGKSA-N 1 2 233.315 1.783 20 0 BDADLO CO[C@H]1C[C@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000300386223 386794214 /nfs/dbraw/zinc/79/42/14/386794214.db2.gz LFXPKALLFMPSRG-IUCAKERBSA-N 1 2 225.292 1.281 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2nccs2)CCCO1 ZINC000334636909 386771124 /nfs/dbraw/zinc/77/11/24/386771124.db2.gz HIYSGWDZKPGACZ-SECBINFHSA-N 1 2 230.308 1.704 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2nccs2)CCCO1 ZINC000334636909 386771133 /nfs/dbraw/zinc/77/11/33/386771133.db2.gz HIYSGWDZKPGACZ-SECBINFHSA-N 1 2 230.308 1.704 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000340778091 386773010 /nfs/dbraw/zinc/77/30/10/386773010.db2.gz NKVQBMDDFQWTKR-NXEZZACHSA-N 1 2 231.299 1.623 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)on1 ZINC000280497813 386820078 /nfs/dbraw/zinc/82/00/78/386820078.db2.gz AZWNCVQOEFNBQR-NEPJUHHUSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)on1 ZINC000280497813 386820083 /nfs/dbraw/zinc/82/00/83/386820083.db2.gz AZWNCVQOEFNBQR-NEPJUHHUSA-N 1 2 222.288 1.736 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000334772617 386822202 /nfs/dbraw/zinc/82/22/02/386822202.db2.gz YWRKKDLWRQEUNF-UWVGGRQHSA-N 1 2 233.315 1.698 20 0 BDADLO CC[C@@H](Nc1cc(C)nc(OC)n1)c1[nH]cc[nH+]1 ZINC000357682881 386825003 /nfs/dbraw/zinc/82/50/03/386825003.db2.gz MMVJOECVURGVAC-SECBINFHSA-N 1 2 247.302 1.502 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NCC1CC1 ZINC000340890869 386798740 /nfs/dbraw/zinc/79/87/40/386798740.db2.gz RMZOQBXEDTVUOS-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NCC1CC1 ZINC000340890869 386798750 /nfs/dbraw/zinc/79/87/50/386798750.db2.gz RMZOQBXEDTVUOS-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)c1nnc(CN(C)Cc2[nH+]ccn2C)[nH]1 ZINC000293321623 386803968 /nfs/dbraw/zinc/80/39/68/386803968.db2.gz WFJIONUOMAYQLN-UHFFFAOYSA-N 1 2 248.334 1.294 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C[C@@H](C)O ZINC000340984682 386810254 /nfs/dbraw/zinc/81/02/54/386810254.db2.gz GDAXTJSPOWGCBX-NXEZZACHSA-N 1 2 237.303 1.093 20 0 BDADLO Cn1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n1 ZINC000334749336 386815142 /nfs/dbraw/zinc/81/51/42/386815142.db2.gz MJYQNLQEQFBLSJ-STQMWFEESA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n1 ZINC000334749336 386815147 /nfs/dbraw/zinc/81/51/47/386815147.db2.gz MJYQNLQEQFBLSJ-STQMWFEESA-N 1 2 249.358 1.810 20 0 BDADLO CC(C)c1nc(NCCc2cn[nH]c2)cc[nH+]1 ZINC000357618113 386815861 /nfs/dbraw/zinc/81/58/61/386815861.db2.gz NTTSHIHBLLSWAI-UHFFFAOYSA-N 1 2 231.303 1.400 20 0 BDADLO COc1ncncc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000648006247 386831290 /nfs/dbraw/zinc/83/12/90/386831290.db2.gz SPPHMKKLBWCAJJ-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@H+]1CCCO[C@H](C)C1 ZINC000648006247 386831293 /nfs/dbraw/zinc/83/12/93/386831293.db2.gz SPPHMKKLBWCAJJ-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc(C)c1O ZINC000366554700 386832657 /nfs/dbraw/zinc/83/26/57/386832657.db2.gz BSUPGDJLLJIMSM-OLZOCXBDSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)cc(C)c1O ZINC000366554700 386832658 /nfs/dbraw/zinc/83/26/58/386832658.db2.gz BSUPGDJLLJIMSM-OLZOCXBDSA-N 1 2 233.311 1.982 20 0 BDADLO c1ccc(NCCCOC[C@@H]2CCOC2)[nH+]c1 ZINC000301333832 386835273 /nfs/dbraw/zinc/83/52/73/386835273.db2.gz FLTHZXOBAISFJG-LBPRGKRZSA-N 1 2 236.315 1.937 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C)c2[nH+]ccn21 ZINC000334782528 386839541 /nfs/dbraw/zinc/83/95/41/386839541.db2.gz FWZZNBAJRUMZLW-RKDXNWHRSA-N 1 2 236.319 1.987 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nc(COC)no1 ZINC000330265223 386843434 /nfs/dbraw/zinc/84/34/34/386843434.db2.gz YYNKBTADTSNVJG-QMMMGPOBSA-N 1 2 211.265 1.200 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nc(COC)no1 ZINC000330265223 386843442 /nfs/dbraw/zinc/84/34/42/386843442.db2.gz YYNKBTADTSNVJG-QMMMGPOBSA-N 1 2 211.265 1.200 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CC23CCCC3)[nH+]1 ZINC000330260834 386843613 /nfs/dbraw/zinc/84/36/13/386843613.db2.gz SYVOVXVHMBGLAD-JTQLQIEISA-N 1 2 247.346 1.413 20 0 BDADLO Cc1nc(N[C@H]2CC23CCCC3)nc(N(C)C)[nH+]1 ZINC000330260834 386843619 /nfs/dbraw/zinc/84/36/19/386843619.db2.gz SYVOVXVHMBGLAD-JTQLQIEISA-N 1 2 247.346 1.413 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC000357779402 386844026 /nfs/dbraw/zinc/84/40/26/386844026.db2.gz RFOFZFVOSRZZRF-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO C[N@H+](CCF)Cc1cnn2ccccc12 ZINC000293609998 386848727 /nfs/dbraw/zinc/84/87/27/386848727.db2.gz JXXMDLYVBCFVHX-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO C[N@@H+](CCF)Cc1cnn2ccccc12 ZINC000293609998 386848732 /nfs/dbraw/zinc/84/87/32/386848732.db2.gz JXXMDLYVBCFVHX-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO c1nc(C[NH+]2CC3(C2)CCOC3)cs1 ZINC000293853222 386891822 /nfs/dbraw/zinc/89/18/22/386891822.db2.gz BRIXFCOTLYWQFK-UHFFFAOYSA-N 1 2 210.302 1.365 20 0 BDADLO Cc1nc(N2CCOCC[C@@H]2C)cc[nH+]1 ZINC000301975525 386892968 /nfs/dbraw/zinc/89/29/68/386892968.db2.gz BVGMLCNNVWYHJT-VIFPVBQESA-N 1 2 207.277 1.400 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1nc(C2CC2)ns1 ZINC000301947034 386893318 /nfs/dbraw/zinc/89/33/18/386893318.db2.gz XSYOVUVROOKDOG-UHFFFAOYSA-N 1 2 249.343 1.785 20 0 BDADLO COC1(C)CN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000330291703 386854364 /nfs/dbraw/zinc/85/43/64/386854364.db2.gz CWDKVQIWXSQZGD-UHFFFAOYSA-N 1 2 248.330 1.524 20 0 BDADLO COC1(C)CN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000330291703 386854372 /nfs/dbraw/zinc/85/43/72/386854372.db2.gz CWDKVQIWXSQZGD-UHFFFAOYSA-N 1 2 248.330 1.524 20 0 BDADLO CC[C@](C)([NH2+]CCOC1CCC1)C(=O)OC ZINC000336744366 386855551 /nfs/dbraw/zinc/85/55/51/386855551.db2.gz UTXQHGXWCSBXMG-LBPRGKRZSA-N 1 2 229.320 1.487 20 0 BDADLO COC[C@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301598532 386858887 /nfs/dbraw/zinc/85/88/87/386858887.db2.gz UABFYXYQEGWSFR-SECBINFHSA-N 1 2 239.319 1.193 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425349445 386865990 /nfs/dbraw/zinc/86/59/90/386865990.db2.gz KLRNPTQMDBOOMU-GFCCVEGCSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425349445 386865994 /nfs/dbraw/zinc/86/59/94/386865994.db2.gz KLRNPTQMDBOOMU-GFCCVEGCSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1occc1-c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000331516387 386866097 /nfs/dbraw/zinc/86/60/97/386866097.db2.gz DMGQIFQJIBBZFU-JTQLQIEISA-N 1 2 249.270 1.641 20 0 BDADLO Cc1occc1-c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000331516387 386866101 /nfs/dbraw/zinc/86/61/01/386866101.db2.gz DMGQIFQJIBBZFU-JTQLQIEISA-N 1 2 249.270 1.641 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000293868662 386894456 /nfs/dbraw/zinc/89/44/56/386894456.db2.gz ARMKTJGPMBBLCG-BKIAHZASSA-N 1 2 205.261 1.290 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCSC1 ZINC000293748323 386871817 /nfs/dbraw/zinc/87/18/17/386871817.db2.gz LXMDZKQHXFJGBL-VIFPVBQESA-N 1 2 239.344 1.272 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCSC1 ZINC000293748323 386871824 /nfs/dbraw/zinc/87/18/24/386871824.db2.gz LXMDZKQHXFJGBL-VIFPVBQESA-N 1 2 239.344 1.272 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1cc[nH]n1 ZINC000358009439 386878425 /nfs/dbraw/zinc/87/84/25/386878425.db2.gz WVOSZQBKAYUQLY-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1cc[nH]n1 ZINC000358009439 386878428 /nfs/dbraw/zinc/87/84/28/386878428.db2.gz WVOSZQBKAYUQLY-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO OCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000335751832 386878885 /nfs/dbraw/zinc/87/88/85/386878885.db2.gz XMPFLRGODGNEFJ-UHFFFAOYSA-N 1 2 230.311 1.839 20 0 BDADLO OCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000335751832 386878889 /nfs/dbraw/zinc/87/88/89/386878889.db2.gz XMPFLRGODGNEFJ-UHFFFAOYSA-N 1 2 230.311 1.839 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000335756327 386884274 /nfs/dbraw/zinc/88/42/74/386884274.db2.gz YSJIRKYWTFVPGB-VXGBXAGGSA-N 1 2 247.342 1.909 20 0 BDADLO CC[C@H]1C[C@@H](C[N@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777039 386884343 /nfs/dbraw/zinc/88/43/43/386884343.db2.gz JTBHAZLBVVKSMD-QWRGUYRKSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777039 386884351 /nfs/dbraw/zinc/88/43/51/386884351.db2.gz JTBHAZLBVVKSMD-QWRGUYRKSA-N 1 2 238.335 1.442 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H](F)C1 ZINC000334840084 386884587 /nfs/dbraw/zinc/88/45/87/386884587.db2.gz LCOJFLZXNYHCDU-SNVBAGLBSA-N 1 2 233.246 1.518 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CCOC1 ZINC000330852196 386914402 /nfs/dbraw/zinc/91/44/02/386914402.db2.gz NXTKAVFDSTYGAX-JTQLQIEISA-N 1 2 234.299 1.431 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1cccnc1 ZINC000358225969 386914761 /nfs/dbraw/zinc/91/47/61/386914761.db2.gz NDMRSNFMDJNRME-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329138853 386897058 /nfs/dbraw/zinc/89/70/58/386897058.db2.gz INBZOVTVMXQWDE-VHSXEESVSA-N 1 2 235.287 1.252 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)o1 ZINC000335761739 386901435 /nfs/dbraw/zinc/90/14/35/386901435.db2.gz PGECWOMLWRQJPT-PWSUYJOCSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)o1 ZINC000335761739 386901440 /nfs/dbraw/zinc/90/14/40/386901440.db2.gz PGECWOMLWRQJPT-PWSUYJOCSA-N 1 2 236.315 1.982 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1[nH]ncc1C ZINC000352889690 386902971 /nfs/dbraw/zinc/90/29/71/386902971.db2.gz IHDXCDPCAXZJFR-JTQLQIEISA-N 1 2 246.314 1.973 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000352889690 386902975 /nfs/dbraw/zinc/90/29/75/386902975.db2.gz IHDXCDPCAXZJFR-JTQLQIEISA-N 1 2 246.314 1.973 20 0 BDADLO CC[C@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CCO1 ZINC000330788433 386903891 /nfs/dbraw/zinc/90/38/91/386903891.db2.gz YPAZROLWGVIKGB-ZJUUUORDSA-N 1 2 237.303 1.231 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2CC=C(C)CC2)n1 ZINC000330860143 386904127 /nfs/dbraw/zinc/90/41/27/386904127.db2.gz VXIVNHCJFRCOSF-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2CC=C(C)CC2)n1 ZINC000330860143 386904135 /nfs/dbraw/zinc/90/41/35/386904135.db2.gz VXIVNHCJFRCOSF-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(O)c1F ZINC000335767252 386909360 /nfs/dbraw/zinc/90/93/60/386909360.db2.gz QLJFSMKOAYKMOA-VIFPVBQESA-N 1 2 238.262 1.564 20 0 BDADLO Cc1cncc(N(C)CCCn2cc[nH+]c2)n1 ZINC000302172760 386910848 /nfs/dbraw/zinc/91/08/48/386910848.db2.gz VCWCWRBWMZDOPU-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@H](F)C1)C1CCCCC1 ZINC000334818572 386947075 /nfs/dbraw/zinc/94/70/75/386947075.db2.gz MSNMUDYWPWBHGF-NSHDSACASA-N 1 2 242.338 1.821 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@H](F)C1)C1CCCCC1 ZINC000334818572 386947080 /nfs/dbraw/zinc/94/70/80/386947080.db2.gz MSNMUDYWPWBHGF-NSHDSACASA-N 1 2 242.338 1.821 20 0 BDADLO CC(F)(F)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000367970651 386923516 /nfs/dbraw/zinc/92/35/16/386923516.db2.gz PYRBSLZXYYWJRV-VIFPVBQESA-N 1 2 243.257 1.702 20 0 BDADLO COc1ncncc1C[N@@H+]1CCOCC12CCC2 ZINC000648009532 386925716 /nfs/dbraw/zinc/92/57/16/386925716.db2.gz LNJOYHSWYZDRMW-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1ncncc1C[N@H+]1CCOCC12CCC2 ZINC000648009532 386925721 /nfs/dbraw/zinc/92/57/21/386925721.db2.gz LNJOYHSWYZDRMW-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COC(=O)C[N@@H+]1CCc2scc(C)c2C1 ZINC000368005716 386927589 /nfs/dbraw/zinc/92/75/89/386927589.db2.gz KLFLVXXIXNZLJN-UHFFFAOYSA-N 1 2 225.313 1.588 20 0 BDADLO COC(=O)C[N@H+]1CCc2scc(C)c2C1 ZINC000368005716 386927598 /nfs/dbraw/zinc/92/75/98/386927598.db2.gz KLFLVXXIXNZLJN-UHFFFAOYSA-N 1 2 225.313 1.588 20 0 BDADLO CCCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330955774 386928730 /nfs/dbraw/zinc/92/87/30/386928730.db2.gz MYWKEKHCPHPVRH-UHFFFAOYSA-N 1 2 223.320 1.994 20 0 BDADLO CCCCNC(=O)CC[N@H+](C)CC(F)F ZINC000116277288 386931582 /nfs/dbraw/zinc/93/15/82/386931582.db2.gz WGRGLNBNHWUOQB-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CCCCNC(=O)CC[N@@H+](C)CC(F)F ZINC000116277288 386931587 /nfs/dbraw/zinc/93/15/87/386931587.db2.gz WGRGLNBNHWUOQB-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335834977 386933896 /nfs/dbraw/zinc/93/38/96/386933896.db2.gz RFITZGWLWAJBPB-GWCFXTLKSA-N 1 2 233.315 1.662 20 0 BDADLO Cc1occc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000334875147 386936502 /nfs/dbraw/zinc/93/65/02/386936502.db2.gz HMMJPOLJCSUNMY-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1occc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000334875147 386936506 /nfs/dbraw/zinc/93/65/06/386936506.db2.gz HMMJPOLJCSUNMY-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000330985720 386940340 /nfs/dbraw/zinc/94/03/40/386940340.db2.gz LEIVUOCXLQIGRF-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cn1cc(C[NH2+]C(C)(C)c2nccs2)cn1 ZINC000116381264 386941607 /nfs/dbraw/zinc/94/16/07/386941607.db2.gz BPJHHRIMZKNPGF-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@H](O)C1CCCCC1 ZINC000331075309 386954568 /nfs/dbraw/zinc/95/45/68/386954568.db2.gz VPACEFFTHPGJCG-NSHDSACASA-N 1 2 238.335 1.178 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@H](O)C1CCCCC1 ZINC000331075309 386954571 /nfs/dbraw/zinc/95/45/71/386954571.db2.gz VPACEFFTHPGJCG-NSHDSACASA-N 1 2 238.335 1.178 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccoc1)C1CC1 ZINC000341712321 386955288 /nfs/dbraw/zinc/95/52/88/386955288.db2.gz NYMPFEFDUQKWPO-LLVKDONJSA-N 1 2 245.282 1.894 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000332120851 386961371 /nfs/dbraw/zinc/96/13/71/386961371.db2.gz HMOIPFMJUHOABP-GXSJLCMTSA-N 1 2 242.319 1.038 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000332120851 386961375 /nfs/dbraw/zinc/96/13/75/386961375.db2.gz HMOIPFMJUHOABP-GXSJLCMTSA-N 1 2 242.319 1.038 20 0 BDADLO CC[N@H+](CCC(=O)OC)Cc1nnc(C)s1 ZINC000358498682 386967231 /nfs/dbraw/zinc/96/72/31/386967231.db2.gz LZXLQBWEHBEPSM-UHFFFAOYSA-N 1 2 243.332 1.232 20 0 BDADLO CC[N@@H+](CCC(=O)OC)Cc1nnc(C)s1 ZINC000358498682 386967237 /nfs/dbraw/zinc/96/72/37/386967237.db2.gz LZXLQBWEHBEPSM-UHFFFAOYSA-N 1 2 243.332 1.232 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@H]3COC[C@H]32)cs1 ZINC000368520201 386983408 /nfs/dbraw/zinc/98/34/08/386983408.db2.gz TYYVWYDJKPPYQH-GXSJLCMTSA-N 1 2 224.329 1.754 20 0 BDADLO c1nc(C[N@H+]2CCC[C@H]3COC[C@H]32)cs1 ZINC000368520201 386983412 /nfs/dbraw/zinc/98/34/12/386983412.db2.gz TYYVWYDJKPPYQH-GXSJLCMTSA-N 1 2 224.329 1.754 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332647661 386995570 /nfs/dbraw/zinc/99/55/70/386995570.db2.gz LQVGYHANLXKGCI-APPZFPTMSA-N 1 2 211.265 1.160 20 0 BDADLO CO[C@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332647661 386995572 /nfs/dbraw/zinc/99/55/72/386995572.db2.gz LQVGYHANLXKGCI-APPZFPTMSA-N 1 2 211.265 1.160 20 0 BDADLO c1ccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368638105 386996157 /nfs/dbraw/zinc/99/61/57/386996157.db2.gz MCWKSHGNZQAKFP-QWHCGFSZSA-N 1 2 219.284 1.539 20 0 BDADLO c1ccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368638105 386996163 /nfs/dbraw/zinc/99/61/63/386996163.db2.gz MCWKSHGNZQAKFP-QWHCGFSZSA-N 1 2 219.284 1.539 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+](C)CCCO)n1 ZINC000331286239 386996710 /nfs/dbraw/zinc/99/67/10/386996710.db2.gz IGLAPJMCIODHJF-VIFPVBQESA-N 1 2 227.308 1.568 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+](C)CCCO)n1 ZINC000331286239 386996714 /nfs/dbraw/zinc/99/67/14/386996714.db2.gz IGLAPJMCIODHJF-VIFPVBQESA-N 1 2 227.308 1.568 20 0 BDADLO COC[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000331249100 386999146 /nfs/dbraw/zinc/99/91/46/386999146.db2.gz XTCNGOPAYCKORX-SECBINFHSA-N 1 2 222.288 1.919 20 0 BDADLO Cc1cc(C)n([C@H](C)C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000331298405 387008763 /nfs/dbraw/zinc/00/87/63/387008763.db2.gz UYBHRNWPWIJWAH-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO Cc1cc(C)n([C@H](C)C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000331298405 387008767 /nfs/dbraw/zinc/00/87/67/387008767.db2.gz UYBHRNWPWIJWAH-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673649 387001891 /nfs/dbraw/zinc/00/18/91/387001891.db2.gz FYYHKQSZQITFQQ-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673649 387001893 /nfs/dbraw/zinc/00/18/93/387001893.db2.gz FYYHKQSZQITFQQ-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000334820657 386949432 /nfs/dbraw/zinc/94/94/32/386949432.db2.gz MECNUFBBIDXEOP-MWLCHTKSSA-N 1 2 222.336 1.135 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000331054467 386950498 /nfs/dbraw/zinc/95/04/98/386950498.db2.gz KAFNNGUSRSCIMP-PSASIEDQSA-N 1 2 225.292 1.087 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCn2ncnc2C1 ZINC000333412191 387034486 /nfs/dbraw/zinc/03/44/86/387034486.db2.gz HKOYKUHXIIZCGK-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC[C@@](F)(CO)C1 ZINC000425384024 387034659 /nfs/dbraw/zinc/03/46/59/387034659.db2.gz QCFUYMIUEFWPLI-LBPRGKRZSA-N 1 2 241.310 1.370 20 0 BDADLO COC(=O)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000304417431 387036521 /nfs/dbraw/zinc/03/65/21/387036521.db2.gz DOVLJHLEYKHUEX-MFKMUULPSA-N 1 2 243.347 1.326 20 0 BDADLO COC1(C)CN(Cc2c[nH+]cn2C(C)C)C1 ZINC000425386957 387036807 /nfs/dbraw/zinc/03/68/07/387036807.db2.gz UNGCPBLXYRSLII-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCc2n[nH]cc21 ZINC000333486998 387039439 /nfs/dbraw/zinc/03/94/39/387039439.db2.gz QHFMDDHKEWOCOT-UHFFFAOYSA-N 1 2 245.286 1.045 20 0 BDADLO c1c[nH]c([C@@H]([NH2+][C@H]2CCOC2)c2cccnc2)n1 ZINC000358972685 387040719 /nfs/dbraw/zinc/04/07/19/387040719.db2.gz WWIWCPOYXQVUGX-RYUDHWBXSA-N 1 2 244.298 1.273 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1nccn1C ZINC000070007862 387043614 /nfs/dbraw/zinc/04/36/14/387043614.db2.gz DUHMXMSVTZKTRC-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO CC[C@H](NC(=O)[C@H]1C[C@]12CCOC2)c1[nH]cc[nH+]1 ZINC000333561729 387043688 /nfs/dbraw/zinc/04/36/88/387043688.db2.gz RPINOXDKBHANBY-NRUUGDAUSA-N 1 2 249.314 1.404 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)C[C@H](C2CC2)O1 ZINC000514658688 387049175 /nfs/dbraw/zinc/04/91/75/387049175.db2.gz DKJICKUEZBCMQK-ZWNOBZJWSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)C[C@H](C2CC2)O1 ZINC000514658688 387049179 /nfs/dbraw/zinc/04/91/79/387049179.db2.gz DKJICKUEZBCMQK-ZWNOBZJWSA-N 1 2 233.315 1.476 20 0 BDADLO CC(C)c1nc(C[NH2+]C2(CO)CCCC2)no1 ZINC000305189598 387049744 /nfs/dbraw/zinc/04/97/44/387049744.db2.gz CQVPUOYIDZFOBD-UHFFFAOYSA-N 1 2 239.319 1.588 20 0 BDADLO CCC[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000359125770 387058127 /nfs/dbraw/zinc/05/81/27/387058127.db2.gz LUXPMKHNRCXFEH-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CCC[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000359125770 387058133 /nfs/dbraw/zinc/05/81/33/387058133.db2.gz LUXPMKHNRCXFEH-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CCSCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000369624190 387059199 /nfs/dbraw/zinc/05/91/99/387059199.db2.gz ZQQDIONTELLLSZ-SECBINFHSA-N 1 2 227.333 1.960 20 0 BDADLO CCSCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000369624190 387059202 /nfs/dbraw/zinc/05/92/02/387059202.db2.gz ZQQDIONTELLLSZ-SECBINFHSA-N 1 2 227.333 1.960 20 0 BDADLO Cc1ccncc1C(=O)NCCCn1cc[nH+]c1 ZINC000359151857 387060985 /nfs/dbraw/zinc/06/09/85/387060985.db2.gz UNUUACBRBPGESF-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1snnc1C ZINC000514606456 387012869 /nfs/dbraw/zinc/01/28/69/387012869.db2.gz XHQZQFXQDQTEHA-NSHDSACASA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1snnc1C ZINC000514606456 387012871 /nfs/dbraw/zinc/01/28/71/387012871.db2.gz XHQZQFXQDQTEHA-NSHDSACASA-N 1 2 241.360 1.847 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2cncs2)C1 ZINC000425374708 387014095 /nfs/dbraw/zinc/01/40/95/387014095.db2.gz QRXBIPSXWBMHGX-UHFFFAOYSA-N 1 2 226.301 1.138 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1F ZINC000333242940 387022487 /nfs/dbraw/zinc/02/24/87/387022487.db2.gz FDVRKUXLEDVPRI-VHRDEZTHSA-N 1 2 237.278 1.131 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1F ZINC000333242940 387022491 /nfs/dbraw/zinc/02/24/91/387022491.db2.gz FDVRKUXLEDVPRI-VHRDEZTHSA-N 1 2 237.278 1.131 20 0 BDADLO CCc1nocc1C[NH2+]Cc1ccno1 ZINC000648023425 387027945 /nfs/dbraw/zinc/02/79/45/387027945.db2.gz CEPMWXMHXILYPN-UHFFFAOYSA-N 1 2 207.233 1.515 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC12CCC(CC1)C2 ZINC000369102953 387029489 /nfs/dbraw/zinc/02/94/89/387029489.db2.gz VWLNHLGTCHPVEK-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC12CCC(CC1)C2 ZINC000369102953 387029495 /nfs/dbraw/zinc/02/94/95/387029495.db2.gz VWLNHLGTCHPVEK-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000334993715 387083887 /nfs/dbraw/zinc/08/38/87/387083887.db2.gz JZLMMJSTKHRMTE-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000334993715 387083889 /nfs/dbraw/zinc/08/38/89/387083889.db2.gz JZLMMJSTKHRMTE-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC[C@H]1CCCO1 ZINC000070978939 387085949 /nfs/dbraw/zinc/08/59/49/387085949.db2.gz JMKFLMISLJWDBC-SNVBAGLBSA-N 1 2 237.303 1.327 20 0 BDADLO CS(=O)(=O)C1C[NH+](CC2CCCCCC2)C1 ZINC000418080887 387089875 /nfs/dbraw/zinc/08/98/75/387089875.db2.gz DOXUFHZCXKVFJR-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418084783 387093922 /nfs/dbraw/zinc/09/39/22/387093922.db2.gz RLZNESGVZXJPLT-GHMZBOCLSA-N 1 2 245.388 1.542 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccccn1 ZINC000335003120 387096797 /nfs/dbraw/zinc/09/67/97/387096797.db2.gz IROYQTAXGIBJMX-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccccn1 ZINC000335003120 387096800 /nfs/dbraw/zinc/09/68/00/387096800.db2.gz IROYQTAXGIBJMX-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1C ZINC000068014767 387100643 /nfs/dbraw/zinc/10/06/43/387100643.db2.gz BJGQCPGADZIMFC-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CS[C@H](C)CCC(=O)Nc1cc[nH+]cc1O ZINC000359447483 387102286 /nfs/dbraw/zinc/10/22/86/387102286.db2.gz RYFDWGJAQFJMMQ-MRVPVSSYSA-N 1 2 240.328 1.679 20 0 BDADLO Cn1cc(NCc2cccc3[nH+]ccn32)nn1 ZINC000359464906 387106011 /nfs/dbraw/zinc/10/60/11/387106011.db2.gz FCHULVMJWDITPV-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO Cc1cc(CNC(=O)Nc2ccon2)cc(C)[nH+]1 ZINC000335011319 387106676 /nfs/dbraw/zinc/10/66/76/387106676.db2.gz QYSCOEGIFCXIJU-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO CCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000335011256 387107114 /nfs/dbraw/zinc/10/71/14/387107114.db2.gz WKNHJSKEYMYNQJ-UHFFFAOYSA-N 1 2 203.245 1.926 20 0 BDADLO Cn1cc[nH+]c1CNc1nccc(C(F)F)n1 ZINC000359474750 387108991 /nfs/dbraw/zinc/10/89/91/387108991.db2.gz QQXNDQMCMOTZES-UHFFFAOYSA-N 1 2 239.229 1.760 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000336279834 387111329 /nfs/dbraw/zinc/11/13/29/387111329.db2.gz DGFIOAYOKGTVMA-NSHDSACASA-N 1 2 210.252 1.252 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000336279834 387111330 /nfs/dbraw/zinc/11/13/30/387111330.db2.gz DGFIOAYOKGTVMA-NSHDSACASA-N 1 2 210.252 1.252 20 0 BDADLO COC[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000352364599 387112194 /nfs/dbraw/zinc/11/21/94/387112194.db2.gz GMCMQZIHYKIMCH-SNVBAGLBSA-N 1 2 207.277 1.258 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)cc1O ZINC000071276309 387120601 /nfs/dbraw/zinc/12/06/01/387120601.db2.gz DVBLQMWXQZDOBN-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000336290630 387122319 /nfs/dbraw/zinc/12/23/19/387122319.db2.gz ZXTLNCLFVHFCRA-JTQLQIEISA-N 1 2 238.360 1.143 20 0 BDADLO Cn1ncnc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000336290630 387122321 /nfs/dbraw/zinc/12/23/21/387122321.db2.gz ZXTLNCLFVHFCRA-JTQLQIEISA-N 1 2 238.360 1.143 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@]2(CO)CCOC2)cs1 ZINC000359575803 387126087 /nfs/dbraw/zinc/12/60/87/387126087.db2.gz NLPSWNKSAFJPDM-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1nc(C[N@H+](C)[C@]2(CO)CCOC2)cs1 ZINC000359575803 387126092 /nfs/dbraw/zinc/12/60/92/387126092.db2.gz NLPSWNKSAFJPDM-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO c1cn(CCSc2nc3cncnc3[nH]2)c[nH+]1 ZINC000186750400 387132313 /nfs/dbraw/zinc/13/23/13/387132313.db2.gz DGDCTVFNMUINTF-UHFFFAOYSA-N 1 2 246.299 1.342 20 0 BDADLO CCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370601215 387129501 /nfs/dbraw/zinc/12/95/01/387129501.db2.gz GIRCNZVCEBGZDQ-VIFPVBQESA-N 1 2 221.304 1.746 20 0 BDADLO CCCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000370601215 387129505 /nfs/dbraw/zinc/12/95/05/387129505.db2.gz GIRCNZVCEBGZDQ-VIFPVBQESA-N 1 2 221.304 1.746 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000336314162 387141313 /nfs/dbraw/zinc/14/13/13/387141313.db2.gz JMLAHRTYYZIJGY-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000336314162 387141317 /nfs/dbraw/zinc/14/13/17/387141317.db2.gz JMLAHRTYYZIJGY-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1(C2CC2)CCC1 ZINC000120682505 387192370 /nfs/dbraw/zinc/19/23/70/387192370.db2.gz MIRUGMQAKAZUMU-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO COC[C@H](C)[N@@H+]1CCC[C@H]1c1ncon1 ZINC000371103924 387148260 /nfs/dbraw/zinc/14/82/60/387148260.db2.gz JRULJHBWKVORSN-IUCAKERBSA-N 1 2 211.265 1.241 20 0 BDADLO COC[C@H](C)[N@H+]1CCC[C@H]1c1ncon1 ZINC000371103924 387148263 /nfs/dbraw/zinc/14/82/63/387148263.db2.gz JRULJHBWKVORSN-IUCAKERBSA-N 1 2 211.265 1.241 20 0 BDADLO CCOCC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353187905 387152348 /nfs/dbraw/zinc/15/23/48/387152348.db2.gz FPMMGMDWCDIUEY-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353187905 387152352 /nfs/dbraw/zinc/15/23/52/387152352.db2.gz FPMMGMDWCDIUEY-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000571748246 387167536 /nfs/dbraw/zinc/16/75/36/387167536.db2.gz PCOXEPNYJQRAOO-MDZLAQPJSA-N 1 2 245.326 1.703 20 0 BDADLO CCO[C@H]1COCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000353273796 387167852 /nfs/dbraw/zinc/16/78/52/387167852.db2.gz DYXITJABCQXXHH-QWRGUYRKSA-N 1 2 237.303 1.391 20 0 BDADLO CN(CC1(O)CCC1)c1cc[nH+]c(C2CC2)n1 ZINC000353282913 387171510 /nfs/dbraw/zinc/17/15/10/387171510.db2.gz RNPQWOZOQSZSTL-UHFFFAOYSA-N 1 2 233.315 1.705 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229508083 387175191 /nfs/dbraw/zinc/17/51/91/387175191.db2.gz WUJKMTCCWABJSG-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229508083 387175196 /nfs/dbraw/zinc/17/51/96/387175196.db2.gz WUJKMTCCWABJSG-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO COc1nn(C)cc1N[C@H](C)c1[nH+]ccn1C ZINC000353301565 387176646 /nfs/dbraw/zinc/17/66/46/387176646.db2.gz AVGQZYUDMDNMNL-MRVPVSSYSA-N 1 2 235.291 1.335 20 0 BDADLO COc1nn(C)cc1N[C@@H](C)c1[nH+]ccn1C ZINC000353301566 387176859 /nfs/dbraw/zinc/17/68/59/387176859.db2.gz AVGQZYUDMDNMNL-QMMMGPOBSA-N 1 2 235.291 1.335 20 0 BDADLO O=C(CC1CCC1)Nc1cc[nH+]cc1O ZINC000336347590 387177409 /nfs/dbraw/zinc/17/74/09/387177409.db2.gz VVCYXCLQBZVEGL-UHFFFAOYSA-N 1 2 206.245 1.338 20 0 BDADLO C[C@@H]1CCC[C@H]([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193297104 387192009 /nfs/dbraw/zinc/19/20/09/387192009.db2.gz XCGZBGNTXMAAAT-ZJUUUORDSA-N 1 2 223.324 1.221 20 0 BDADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193297104 387192015 /nfs/dbraw/zinc/19/20/15/387192015.db2.gz XCGZBGNTXMAAAT-ZJUUUORDSA-N 1 2 223.324 1.221 20 0 BDADLO Cn1cc[nH+]c1CSc1nc2cncnc2[nH]1 ZINC000186790918 387135243 /nfs/dbraw/zinc/13/52/43/387135243.db2.gz HHALUDKCNYTEKZ-UHFFFAOYSA-N 1 2 246.299 1.379 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1CC2(CCC2)C1 ZINC000571685749 387138923 /nfs/dbraw/zinc/13/89/23/387138923.db2.gz NOWRKLMZNRVXJK-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)C1CC1 ZINC000300417854 387209993 /nfs/dbraw/zinc/20/99/93/387209993.db2.gz WHXWCNXINAMMKN-OUAUKWLOSA-N 1 2 241.331 1.341 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC000300422241 387211677 /nfs/dbraw/zinc/21/16/77/387211677.db2.gz FNXPKUOTHHPXJP-UTUOFQBUSA-N 1 2 239.315 1.095 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C1CC(O)C1 ZINC000353485676 387212959 /nfs/dbraw/zinc/21/29/59/387212959.db2.gz UXXZFZMDYMVPFU-XNWIYYODSA-N 1 2 229.320 1.172 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CC(O)C1 ZINC000353485676 387212965 /nfs/dbraw/zinc/21/29/65/387212965.db2.gz UXXZFZMDYMVPFU-XNWIYYODSA-N 1 2 229.320 1.172 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCSC1 ZINC000353527265 387223550 /nfs/dbraw/zinc/22/35/50/387223550.db2.gz CCLVZTBTRRUJTJ-UWVGGRQHSA-N 1 2 239.344 1.141 20 0 BDADLO Cc1cc(N[C@H]2[C@@H]3COC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000360107329 387228035 /nfs/dbraw/zinc/22/80/35/387228035.db2.gz JHNPOWJHUYSXLJ-IAZYJMLFSA-N 1 2 233.315 1.387 20 0 BDADLO CCOCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000120341611 387230988 /nfs/dbraw/zinc/23/09/88/387230988.db2.gz ARWJJBUZAMSHFE-NSHDSACASA-N 1 2 245.363 1.979 20 0 BDADLO Cc1ccnc(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000371595032 387232295 /nfs/dbraw/zinc/23/22/95/387232295.db2.gz AULZXGPBXGMMLB-JTQLQIEISA-N 1 2 229.287 1.850 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1ncccn1 ZINC000360174134 387238333 /nfs/dbraw/zinc/23/83/33/387238333.db2.gz ARGRKXRDZNXKNA-UHFFFAOYSA-N 1 2 242.282 1.173 20 0 BDADLO Cc1cn2c([nH+]1)CN(CC(F)(F)F)CC2 ZINC000371699693 387240608 /nfs/dbraw/zinc/24/06/08/387240608.db2.gz JEYTVVYXTWXEQT-UHFFFAOYSA-N 1 2 219.210 1.569 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000336413575 387241965 /nfs/dbraw/zinc/24/19/65/387241965.db2.gz UDMJZUPDQLIONA-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000336413575 387241969 /nfs/dbraw/zinc/24/19/69/387241969.db2.gz UDMJZUPDQLIONA-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccnc([C@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000353618549 387243219 /nfs/dbraw/zinc/24/32/19/387243219.db2.gz GHZYNIOOTCWIRS-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCOCC1 ZINC000371722062 387243282 /nfs/dbraw/zinc/24/32/82/387243282.db2.gz PXMDREWCPBYOFJ-CYBMUJFWSA-N 1 2 249.310 1.623 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCCOCC1 ZINC000371722062 387243288 /nfs/dbraw/zinc/24/32/88/387243288.db2.gz PXMDREWCPBYOFJ-CYBMUJFWSA-N 1 2 249.310 1.623 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360263004 387252296 /nfs/dbraw/zinc/25/22/96/387252296.db2.gz WKKLXOWEFPQQHB-SCZZXKLOSA-N 1 2 207.277 1.462 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360263004 387252302 /nfs/dbraw/zinc/25/23/02/387252302.db2.gz WKKLXOWEFPQQHB-SCZZXKLOSA-N 1 2 207.277 1.462 20 0 BDADLO [NH3+]CC(F)(F)CN[C@@H]1CCCC12CCOCC2 ZINC000423348565 387200367 /nfs/dbraw/zinc/20/03/67/387200367.db2.gz UFCOJQNGZMBUCV-SNVBAGLBSA-N 1 2 248.317 1.519 20 0 BDADLO NCC(F)(F)C[NH2+][C@H]1CCC12CCC2 ZINC000423349384 387201304 /nfs/dbraw/zinc/20/13/04/387201304.db2.gz WLANGBVRLLASDY-QMMMGPOBSA-N 1 2 204.264 1.503 20 0 BDADLO CN(CCC(C)(C)C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000648545400 387201880 /nfs/dbraw/zinc/20/18/80/387201880.db2.gz IZXNJKMRGFLAOD-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO CN(CCC(C)(C)C)C(=O)[C@H]1COCC[N@H+]1C ZINC000648545400 387201883 /nfs/dbraw/zinc/20/18/83/387201883.db2.gz IZXNJKMRGFLAOD-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@@H](CF)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000360590507 387314369 /nfs/dbraw/zinc/31/43/69/387314369.db2.gz FFIXXNMSGNPIAM-JTQLQIEISA-N 1 2 247.273 1.960 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000336429994 387256300 /nfs/dbraw/zinc/25/63/00/387256300.db2.gz LFDIKMXSMSBWDK-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000336429994 387256302 /nfs/dbraw/zinc/25/63/02/387256302.db2.gz LFDIKMXSMSBWDK-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO O=C(Nc1cnns1)c1ccc2[nH+]ccn2c1 ZINC000188195479 387256342 /nfs/dbraw/zinc/25/63/42/387256342.db2.gz AGFULDIJBAIMAV-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000336439747 387265404 /nfs/dbraw/zinc/26/54/04/387265404.db2.gz ORJHYVWUTOPPIZ-VHSXEESVSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000336439747 387265412 /nfs/dbraw/zinc/26/54/12/387265412.db2.gz ORJHYVWUTOPPIZ-VHSXEESVSA-N 1 2 208.309 1.699 20 0 BDADLO Cc1nc(C[N@@H+](C)C2CC(O)C2)cs1 ZINC000336444335 387271650 /nfs/dbraw/zinc/27/16/50/387271650.db2.gz DLCXEOUWPQQDBC-UHFFFAOYSA-N 1 2 212.318 1.407 20 0 BDADLO Cc1nc(C[N@H+](C)C2CC(O)C2)cs1 ZINC000336444335 387271656 /nfs/dbraw/zinc/27/16/56/387271656.db2.gz DLCXEOUWPQQDBC-UHFFFAOYSA-N 1 2 212.318 1.407 20 0 BDADLO CCCc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)co1 ZINC000353770234 387272130 /nfs/dbraw/zinc/27/21/30/387272130.db2.gz GOWLKPUBOFTTTO-UHFFFAOYSA-N 1 2 248.286 1.622 20 0 BDADLO CC(C)=CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000520820135 387273593 /nfs/dbraw/zinc/27/35/93/387273593.db2.gz ZJEBAIUIIZCCHY-LLVKDONJSA-N 1 2 221.304 1.917 20 0 BDADLO CO[C@@H](C)C[N@H+](Cc1cn[nH]c1C)C(C)C ZINC000353795543 387277373 /nfs/dbraw/zinc/27/73/73/387277373.db2.gz MRPPHCPCUCKMLL-JTQLQIEISA-N 1 2 225.336 1.963 20 0 BDADLO CO[C@@H](C)C[N@@H+](Cc1cn[nH]c1C)C(C)C ZINC000353795543 387277379 /nfs/dbraw/zinc/27/73/79/387277379.db2.gz MRPPHCPCUCKMLL-JTQLQIEISA-N 1 2 225.336 1.963 20 0 BDADLO C[N@H+](Cc1c(F)ccc(O)c1F)C1CC(O)C1 ZINC000336491916 387317951 /nfs/dbraw/zinc/31/79/51/387317951.db2.gz MQHHCCIDRNESQV-UHFFFAOYSA-N 1 2 243.253 1.626 20 0 BDADLO FC(F)C1CC[NH+](Cc2ncccn2)CC1 ZINC000336457032 387284607 /nfs/dbraw/zinc/28/46/07/387284607.db2.gz ABWMTAFZOMWGNH-UHFFFAOYSA-N 1 2 227.258 1.954 20 0 BDADLO CCCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000372248492 387286837 /nfs/dbraw/zinc/28/68/37/387286837.db2.gz IEWGGFJOFSAGHU-LLVKDONJSA-N 1 2 235.331 1.985 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000514826080 387291092 /nfs/dbraw/zinc/29/10/92/387291092.db2.gz BTQGJKFLKTZUPX-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(NC(=O)N2CC(C3CC3)C2)c(C)c[nH+]1 ZINC000643462190 387301693 /nfs/dbraw/zinc/30/16/93/387301693.db2.gz ZPWBZCKJXDGRNQ-UHFFFAOYSA-N 1 2 245.326 1.994 20 0 BDADLO c1ncn([C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000372480647 387307007 /nfs/dbraw/zinc/30/70/07/387307007.db2.gz IBVHMUBFCSIMLQ-JTQLQIEISA-N 1 2 215.260 1.125 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000648599975 387372424 /nfs/dbraw/zinc/37/24/24/387372424.db2.gz UXNJCGASYJWPTK-FRRDWIJNSA-N 1 2 247.342 1.968 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336553293 387374379 /nfs/dbraw/zinc/37/43/79/387374379.db2.gz GYAVZJGNLJBSPY-GFCCVEGCSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000336553293 387374382 /nfs/dbraw/zinc/37/43/82/387374382.db2.gz GYAVZJGNLJBSPY-GFCCVEGCSA-N 1 2 228.299 1.762 20 0 BDADLO CC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1COC1 ZINC000515373049 387375587 /nfs/dbraw/zinc/37/55/87/387375587.db2.gz UPRCEWNEQJUTPX-UHFFFAOYSA-N 1 2 249.314 1.280 20 0 BDADLO CC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1COC1 ZINC000515373049 387375592 /nfs/dbraw/zinc/37/55/92/387375592.db2.gz UPRCEWNEQJUTPX-UHFFFAOYSA-N 1 2 249.314 1.280 20 0 BDADLO C[C@H](CF)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000287129070 387377510 /nfs/dbraw/zinc/37/75/10/387377510.db2.gz GPWXXFPWCFFMSB-SCZZXKLOSA-N 1 2 210.252 1.161 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000515419938 387379176 /nfs/dbraw/zinc/37/91/76/387379176.db2.gz VGNXPWCPNIYIAN-ZJUUUORDSA-N 1 2 207.277 1.140 20 0 BDADLO O=C(c1ccon1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336510369 387333339 /nfs/dbraw/zinc/33/33/39/387333339.db2.gz BSWRIBBGBLBEMJ-VIFPVBQESA-N 1 2 232.243 1.375 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000336509243 387334378 /nfs/dbraw/zinc/33/43/78/387334378.db2.gz RCNJHJSTDIJCHC-ZJUUUORDSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000336509243 387334386 /nfs/dbraw/zinc/33/43/86/387334386.db2.gz RCNJHJSTDIJCHC-ZJUUUORDSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000336509241 387334469 /nfs/dbraw/zinc/33/44/69/387334469.db2.gz RCNJHJSTDIJCHC-UWVGGRQHSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000336509241 387334475 /nfs/dbraw/zinc/33/44/75/387334475.db2.gz RCNJHJSTDIJCHC-UWVGGRQHSA-N 1 2 208.309 1.699 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000336511168 387336395 /nfs/dbraw/zinc/33/63/95/387336395.db2.gz MMBCPZYRWMEWOM-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000336511168 387336399 /nfs/dbraw/zinc/33/63/99/387336399.db2.gz MMBCPZYRWMEWOM-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CC12CCOCC2)C1CC1 ZINC000395715990 387343458 /nfs/dbraw/zinc/34/34/58/387343458.db2.gz AKMWLCBBKDRDME-GHMZBOCLSA-N 1 2 239.315 1.097 20 0 BDADLO CC(C)c1nnc(C[NH+]2CCCCC2)[nH]1 ZINC000336599089 387424301 /nfs/dbraw/zinc/42/43/01/387424301.db2.gz OIUXVNSPOFKWQJ-UHFFFAOYSA-N 1 2 208.309 1.914 20 0 BDADLO FC(F)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000374117867 387425054 /nfs/dbraw/zinc/42/50/54/387425054.db2.gz DRJLUQHYIACHDB-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000374117867 387425060 /nfs/dbraw/zinc/42/50/60/387425060.db2.gz DRJLUQHYIACHDB-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cncnc1 ZINC000354793322 387429579 /nfs/dbraw/zinc/42/95/79/387429579.db2.gz UQTYSRYWAYUGOC-UHFFFAOYSA-N 1 2 228.255 1.108 20 0 BDADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCF ZINC000374304179 387441356 /nfs/dbraw/zinc/44/13/56/387441356.db2.gz YYTZZMLECPXTLJ-LLVKDONJSA-N 1 2 241.310 1.759 20 0 BDADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCF ZINC000374304179 387441358 /nfs/dbraw/zinc/44/13/58/387441358.db2.gz YYTZZMLECPXTLJ-LLVKDONJSA-N 1 2 241.310 1.759 20 0 BDADLO COCc1nc(C[N@H+](C)C[C@@H](C)O)cs1 ZINC000361011803 387386669 /nfs/dbraw/zinc/38/66/69/387386669.db2.gz VPWUDAQGXWYOAB-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1nc(C[N@@H+](C)C[C@@H](C)O)cs1 ZINC000361011803 387386672 /nfs/dbraw/zinc/38/66/72/387386672.db2.gz VPWUDAQGXWYOAB-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO COC(=O)c1ccc(CNc2cc[nH+]c(C)n2)o1 ZINC000361023754 387391421 /nfs/dbraw/zinc/39/14/21/387391421.db2.gz ZDBHVJTZRFWJTC-UHFFFAOYSA-N 1 2 247.254 1.199 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000354586471 387399484 /nfs/dbraw/zinc/39/94/84/387399484.db2.gz PVVKWFLSNUSTCG-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000361175540 387410422 /nfs/dbraw/zinc/41/04/22/387410422.db2.gz OZESZENDDLQNAP-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000361175540 387410428 /nfs/dbraw/zinc/41/04/28/387410428.db2.gz OZESZENDDLQNAP-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)N(C)Cc1c[nH+]c2ccccn12 ZINC000361174385 387410993 /nfs/dbraw/zinc/41/09/93/387410993.db2.gz ABNHOOSWVYWQPO-JTQLQIEISA-N 1 2 247.298 1.328 20 0 BDADLO Cc1nc(CN2CCn3cc[nH+]c3C2)c(C)s1 ZINC000336586289 387412732 /nfs/dbraw/zinc/41/27/32/387412732.db2.gz YRBKDGPLVQDRRK-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1cccnc1 ZINC000336588252 387414634 /nfs/dbraw/zinc/41/46/34/387414634.db2.gz PSGJVDVMECCNNB-UHFFFAOYSA-N 1 2 231.259 1.137 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000374043748 387414913 /nfs/dbraw/zinc/41/49/13/387414913.db2.gz PJNVNRMFCOQWGH-GZMMTYOYSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374043748 387414918 /nfs/dbraw/zinc/41/49/18/387414918.db2.gz PJNVNRMFCOQWGH-GZMMTYOYSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000374043751 387415349 /nfs/dbraw/zinc/41/53/49/387415349.db2.gz PJNVNRMFCOQWGH-LDYMZIIASA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374043751 387415350 /nfs/dbraw/zinc/41/53/50/387415350.db2.gz PJNVNRMFCOQWGH-LDYMZIIASA-N 1 2 222.263 1.446 20 0 BDADLO CCCCCNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374069470 387416295 /nfs/dbraw/zinc/41/62/95/387416295.db2.gz PGXAMXQOQRRRTD-TXEJJXNPSA-N 1 2 240.347 1.156 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374069470 387416307 /nfs/dbraw/zinc/41/63/07/387416307.db2.gz PGXAMXQOQRRRTD-TXEJJXNPSA-N 1 2 240.347 1.156 20 0 BDADLO CCc1ccc(C[NH+]2CC(n3ccnn3)C2)o1 ZINC000354997297 387461295 /nfs/dbraw/zinc/46/12/95/387461295.db2.gz IGTNVYFTCRDXLW-UHFFFAOYSA-N 1 2 232.287 1.490 20 0 BDADLO CC[N@H+](C[C@H](C)OC)[C@@H](C)c1noc(C)n1 ZINC000361566193 387493712 /nfs/dbraw/zinc/49/37/12/387493712.db2.gz SHKWXWXGQXDSSQ-IUCAKERBSA-N 1 2 227.308 1.796 20 0 BDADLO CC[N@@H+](C[C@H](C)OC)[C@@H](C)c1noc(C)n1 ZINC000361566193 387493714 /nfs/dbraw/zinc/49/37/14/387493714.db2.gz SHKWXWXGQXDSSQ-IUCAKERBSA-N 1 2 227.308 1.796 20 0 BDADLO Cc1csc2c1C[N@@H+]([C@@H]1CCOC1=O)CC2 ZINC000374836038 387495372 /nfs/dbraw/zinc/49/53/72/387495372.db2.gz MDUPBAVKIZXOEE-SNVBAGLBSA-N 1 2 237.324 1.730 20 0 BDADLO Cc1csc2c1C[N@H+]([C@@H]1CCOC1=O)CC2 ZINC000374836038 387495376 /nfs/dbraw/zinc/49/53/76/387495376.db2.gz MDUPBAVKIZXOEE-SNVBAGLBSA-N 1 2 237.324 1.730 20 0 BDADLO c1nc(SCc2cn3ccccc3[nH+]2)n[nH]1 ZINC000005639878 387502898 /nfs/dbraw/zinc/50/28/98/387502898.db2.gz VMVTWASECHCZJT-UHFFFAOYSA-N 1 2 231.284 1.745 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2cscc2Cl)C1 ZINC000648686277 387504587 /nfs/dbraw/zinc/50/45/87/387504587.db2.gz CAJSHYJZZDNUIU-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2cscc2Cl)C1 ZINC000648686277 387504590 /nfs/dbraw/zinc/50/45/90/387504590.db2.gz CAJSHYJZZDNUIU-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3ncccn3)C2)c1 ZINC000361593011 387506657 /nfs/dbraw/zinc/50/66/57/387506657.db2.gz XIIWYKPZFIAHQH-NSHDSACASA-N 1 2 229.287 1.120 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3ncccn3)C2)c1 ZINC000361593011 387506660 /nfs/dbraw/zinc/50/66/60/387506660.db2.gz XIIWYKPZFIAHQH-NSHDSACASA-N 1 2 229.287 1.120 20 0 BDADLO CC(C)(NC(=O)[C@@H]1C[C@]12CCOC2)c1[nH]cc[nH+]1 ZINC000516481842 387514228 /nfs/dbraw/zinc/51/42/28/387514228.db2.gz SGNBQLOPQICKBV-ZANVPECISA-N 1 2 249.314 1.188 20 0 BDADLO Cn1nccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355311507 387517864 /nfs/dbraw/zinc/51/78/64/387517864.db2.gz MGOUOMUWVMDTDQ-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000361789304 387535239 /nfs/dbraw/zinc/53/52/39/387535239.db2.gz ROGASQHEBLYSAL-ZCFIWIBFSA-N 1 2 235.209 1.567 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+](C)CCC(F)(F)F ZINC000355434458 387538509 /nfs/dbraw/zinc/53/85/09/387538509.db2.gz JBNYAMWMWQENBI-SSDOTTSWSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCC(F)(F)F ZINC000355434458 387538512 /nfs/dbraw/zinc/53/85/12/387538512.db2.gz JBNYAMWMWQENBI-SSDOTTSWSA-N 1 2 238.253 1.538 20 0 BDADLO CC(=O)CCC(=O)NCc1c[nH+]c(C)cc1C ZINC000397079125 387539092 /nfs/dbraw/zinc/53/90/92/387539092.db2.gz FSCJFQCDAUJKNN-UHFFFAOYSA-N 1 2 234.299 1.684 20 0 BDADLO FC1(C[NH+]2CCN(Cc3ccco3)CC2)CC1 ZINC000527218677 387539604 /nfs/dbraw/zinc/53/96/04/387539604.db2.gz VWVZLRNLONXJCC-UHFFFAOYSA-N 1 2 238.306 1.899 20 0 BDADLO FC1(CN2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000527218677 387539606 /nfs/dbraw/zinc/53/96/06/387539606.db2.gz VWVZLRNLONXJCC-UHFFFAOYSA-N 1 2 238.306 1.899 20 0 BDADLO CC[N@H+](C)Cc1c(Br)cnn1C ZINC000278421817 387540653 /nfs/dbraw/zinc/54/06/53/387540653.db2.gz ISXLMMHLBUEYBS-UHFFFAOYSA-N 1 2 232.125 1.634 20 0 BDADLO CC[N@@H+](C)Cc1c(Br)cnn1C ZINC000278421817 387540656 /nfs/dbraw/zinc/54/06/56/387540656.db2.gz ISXLMMHLBUEYBS-UHFFFAOYSA-N 1 2 232.125 1.634 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cn1 ZINC000352738006 387465135 /nfs/dbraw/zinc/46/51/35/387465135.db2.gz LIQFTKNIKDODFK-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000352775713 387473366 /nfs/dbraw/zinc/47/33/66/387473366.db2.gz SBJJIFCOOPJHKA-SNVBAGLBSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000352775713 387473369 /nfs/dbraw/zinc/47/33/69/387473369.db2.gz SBJJIFCOOPJHKA-SNVBAGLBSA-N 1 2 234.303 1.910 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OC ZINC000355088670 387476797 /nfs/dbraw/zinc/47/67/97/387476797.db2.gz PNWUCAFEIPYQMO-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)OC ZINC000355078946 387477254 /nfs/dbraw/zinc/47/72/54/387477254.db2.gz CFOSIVLHLBBCHK-KXNHARMFSA-N 1 2 243.347 1.589 20 0 BDADLO CCC1CCC([NH2+][C@@H](COC)C(=O)OC)CC1 ZINC000355086757 387477309 /nfs/dbraw/zinc/47/73/09/387477309.db2.gz KVPHRTLKLGPRJB-MCIGGMRASA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CC(C)C)CC2 ZINC000374667146 387478543 /nfs/dbraw/zinc/47/85/43/387478543.db2.gz ZHSGVEBGXIYZIP-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1CCOC ZINC000361517724 387480583 /nfs/dbraw/zinc/48/05/83/387480583.db2.gz BOQRUDYCAYOTPV-WDEREUQCSA-N 1 2 219.300 1.472 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1CCOC ZINC000361517724 387480589 /nfs/dbraw/zinc/48/05/89/387480589.db2.gz BOQRUDYCAYOTPV-WDEREUQCSA-N 1 2 219.300 1.472 20 0 BDADLO Cc1cc(CNC(=O)CC2(O)CCC2)cc(C)[nH+]1 ZINC000421906705 387481400 /nfs/dbraw/zinc/48/14/00/387481400.db2.gz BWPGMUVSRTWITL-UHFFFAOYSA-N 1 2 248.326 1.620 20 0 BDADLO CC[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000421908226 387481888 /nfs/dbraw/zinc/48/18/88/387481888.db2.gz FGKLQTGXRHZUKM-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000336629494 387482085 /nfs/dbraw/zinc/48/20/85/387482085.db2.gz ZDGRWDBZTXHQJG-SNVBAGLBSA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000336629494 387482091 /nfs/dbraw/zinc/48/20/91/387482091.db2.gz ZDGRWDBZTXHQJG-SNVBAGLBSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](NC(=O)C1CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000355129566 387485322 /nfs/dbraw/zinc/48/53/22/387485322.db2.gz FLSVDPYSDWNJFH-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO COC[C@H](C)[N@@H+]1CCn2cc(C)nc2C1 ZINC000374710474 387486145 /nfs/dbraw/zinc/48/61/45/387486145.db2.gz NRHAUBRBLQOQGE-JTQLQIEISA-N 1 2 209.293 1.042 20 0 BDADLO COC[C@H](C)[N@H+]1CCn2cc(C)nc2C1 ZINC000374710474 387486148 /nfs/dbraw/zinc/48/61/48/387486148.db2.gz NRHAUBRBLQOQGE-JTQLQIEISA-N 1 2 209.293 1.042 20 0 BDADLO C[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H]1CCOC1 ZINC000361553354 387486329 /nfs/dbraw/zinc/48/63/29/387486329.db2.gz OPCYNWLJTPEMCG-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO C[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@H]1CCOC1 ZINC000361553354 387486333 /nfs/dbraw/zinc/48/63/33/387486333.db2.gz OPCYNWLJTPEMCG-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1(C2CCC2)CCC1 ZINC000516252418 387487718 /nfs/dbraw/zinc/48/77/18/387487718.db2.gz UDFWYYJWGHUMCB-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CC(C)(C)C=CC(=O)NCc1[nH]cc[nH+]1 ZINC000116760429 387582935 /nfs/dbraw/zinc/58/29/35/387582935.db2.gz GNXVOJFSCQOTFW-SNAWJCMRSA-N 1 2 207.277 1.628 20 0 BDADLO CC(C)(C)/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000116760429 387582937 /nfs/dbraw/zinc/58/29/37/387582937.db2.gz GNXVOJFSCQOTFW-SNAWJCMRSA-N 1 2 207.277 1.628 20 0 BDADLO CC[N@H+](CCO)[C@@H](C(=O)OC)c1ccccc1 ZINC000305228511 387584562 /nfs/dbraw/zinc/58/45/62/387584562.db2.gz WXCQJGUVANFHFC-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@@H+](CCO)[C@@H](C(=O)OC)c1ccccc1 ZINC000305228511 387584563 /nfs/dbraw/zinc/58/45/63/387584563.db2.gz WXCQJGUVANFHFC-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)no1 ZINC000528757754 387588888 /nfs/dbraw/zinc/58/88/88/387588888.db2.gz FSRXHKKVTKTNRU-UBVHSMIISA-N 1 2 239.319 1.841 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000362286431 387591922 /nfs/dbraw/zinc/59/19/22/387591922.db2.gz SXBNXWKVQRBMDG-QMMMGPOBSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000362286431 387591924 /nfs/dbraw/zinc/59/19/24/387591924.db2.gz SXBNXWKVQRBMDG-QMMMGPOBSA-N 1 2 227.333 1.457 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccn1C)c1cnn(C)c1 ZINC000305451302 387606699 /nfs/dbraw/zinc/60/66/99/387606699.db2.gz OLICHRIGPWYAEL-UWVGGRQHSA-N 1 2 233.319 1.565 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cnns1 ZINC000430344387 387611459 /nfs/dbraw/zinc/61/14/59/387611459.db2.gz OLOIPEQEJQSQFH-OCAPTIKFSA-N 1 2 240.332 1.349 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cnns1 ZINC000430344387 387611463 /nfs/dbraw/zinc/61/14/63/387611463.db2.gz OLOIPEQEJQSQFH-OCAPTIKFSA-N 1 2 240.332 1.349 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000362525151 387624995 /nfs/dbraw/zinc/62/49/95/387624995.db2.gz QTSORWPIWFNZLB-UWVGGRQHSA-N 1 2 237.303 1.326 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)s1 ZINC000426162651 387545063 /nfs/dbraw/zinc/54/50/63/387545063.db2.gz PWLFSDVILJTIGQ-CBAPKCEASA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)s1 ZINC000426162651 387545070 /nfs/dbraw/zinc/54/50/70/387545070.db2.gz PWLFSDVILJTIGQ-CBAPKCEASA-N 1 2 227.333 1.049 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CC3)ccn1 ZINC000527534507 387627063 /nfs/dbraw/zinc/62/70/63/387627063.db2.gz UEISPYCWJMGLTM-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CC3)ccn1 ZINC000527534507 387627067 /nfs/dbraw/zinc/62/70/67/387627067.db2.gz UEISPYCWJMGLTM-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CCC[C@H]1c1nccs1 ZINC000361942629 387553311 /nfs/dbraw/zinc/55/33/11/387553311.db2.gz XDAJBRIHSVKNIA-BDAKNGLRSA-N 1 2 237.328 1.169 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CCC[C@H]1c1nccs1 ZINC000361942629 387553313 /nfs/dbraw/zinc/55/33/13/387553313.db2.gz XDAJBRIHSVKNIA-BDAKNGLRSA-N 1 2 237.328 1.169 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cn[nH]c1 ZINC000035237955 387560717 /nfs/dbraw/zinc/56/07/17/387560717.db2.gz ZJQWRMFIGHEIPP-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO Cc1ccc(CN(CCO)Cc2c[nH+]cn2C)o1 ZINC000355660042 387563905 /nfs/dbraw/zinc/56/39/05/387563905.db2.gz ZPSOQFUCJJRKHE-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO CC[C@H](CO)[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000355666715 387564685 /nfs/dbraw/zinc/56/46/85/387564685.db2.gz DHMUPXHSIILAIQ-MRVPVSSYSA-N 1 2 237.278 1.317 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000332637280 387572254 /nfs/dbraw/zinc/57/22/54/387572254.db2.gz JNMVZUOMELKSOB-SECBINFHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](O)C2(C)C)no1 ZINC000332637280 387572257 /nfs/dbraw/zinc/57/22/57/387572257.db2.gz JNMVZUOMELKSOB-SECBINFHSA-N 1 2 239.319 1.367 20 0 BDADLO CC[N@H+](CCOC)CC(=O)c1cc(C)[nH]c1C ZINC000042493900 387627945 /nfs/dbraw/zinc/62/79/45/387627945.db2.gz HTMWQDWDLMQVHF-UHFFFAOYSA-N 1 2 238.331 1.783 20 0 BDADLO CC[N@@H+](CCOC)CC(=O)c1cc(C)[nH]c1C ZINC000042493900 387627948 /nfs/dbraw/zinc/62/79/48/387627948.db2.gz HTMWQDWDLMQVHF-UHFFFAOYSA-N 1 2 238.331 1.783 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1cnccn1 ZINC000355797245 387579459 /nfs/dbraw/zinc/57/94/59/387579459.db2.gz TVUSMZVYRVAPKR-UHFFFAOYSA-N 1 2 242.282 1.173 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC2CC2)C1 ZINC000376430190 387630991 /nfs/dbraw/zinc/63/09/91/387630991.db2.gz WSEBPDOGMPPTNH-SNVBAGLBSA-N 1 2 248.330 1.472 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H](C)C(C)C)no1 ZINC000356248294 387634287 /nfs/dbraw/zinc/63/42/87/387634287.db2.gz ZBMWCYVXYIWSHJ-SECBINFHSA-N 1 2 227.308 1.692 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H](C)C(C)C)no1 ZINC000356248294 387634290 /nfs/dbraw/zinc/63/42/90/387634290.db2.gz ZBMWCYVXYIWSHJ-SECBINFHSA-N 1 2 227.308 1.692 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](C)CC2(C)C)no1 ZINC000356261027 387634340 /nfs/dbraw/zinc/63/43/40/387634340.db2.gz VOGJHEWQSWWVDO-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](C)CC2(C)C)no1 ZINC000356261027 387634344 /nfs/dbraw/zinc/63/43/44/387634344.db2.gz VOGJHEWQSWWVDO-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO C[C@H](O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000305723680 387637668 /nfs/dbraw/zinc/63/76/68/387637668.db2.gz QLDJXSRUOXRSOQ-VIFPVBQESA-N 1 2 231.255 1.192 20 0 BDADLO CNC(=O)C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527630616 387643897 /nfs/dbraw/zinc/64/38/97/387643897.db2.gz BZSFFQZGWIINRL-UHFFFAOYSA-N 1 2 248.660 1.454 20 0 BDADLO Cc1cnc(CNc2cc[nH+]c3ccncc23)o1 ZINC000362636702 387644321 /nfs/dbraw/zinc/64/43/21/387644321.db2.gz NONNOUQGURDESK-UHFFFAOYSA-N 1 2 240.266 1.960 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+](C)CCO)n1 ZINC000305746870 387644940 /nfs/dbraw/zinc/64/49/40/387644940.db2.gz PTBVDZIKAJKCKA-QMMMGPOBSA-N 1 2 213.281 1.178 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+](C)CCO)n1 ZINC000305746870 387644946 /nfs/dbraw/zinc/64/49/46/387644946.db2.gz PTBVDZIKAJKCKA-QMMMGPOBSA-N 1 2 213.281 1.178 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)n1C ZINC000125392360 387655031 /nfs/dbraw/zinc/65/50/31/387655031.db2.gz FMPPHOWSLQHFLO-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)n1C ZINC000125392360 387655034 /nfs/dbraw/zinc/65/50/34/387655034.db2.gz FMPPHOWSLQHFLO-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO CC[C@@H]1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000422793150 387695459 /nfs/dbraw/zinc/69/54/59/387695459.db2.gz RTLXDPUKFXGLMV-MWLCHTKSSA-N 1 2 249.314 1.638 20 0 BDADLO COCCN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431028278 387670212 /nfs/dbraw/zinc/67/02/12/387670212.db2.gz ONEJOLPYOABEKG-UHFFFAOYSA-N 1 2 237.278 1.795 20 0 BDADLO CC[NH+](CC)Cc1nnn(CC(F)(F)F)n1 ZINC000440706469 387674300 /nfs/dbraw/zinc/67/43/00/387674300.db2.gz UAKJSGUFMLVKEU-UHFFFAOYSA-N 1 2 237.229 1.077 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000114339170 387674848 /nfs/dbraw/zinc/67/48/48/387674848.db2.gz MAXHQQFEUJFMMO-VIFPVBQESA-N 1 2 247.273 1.969 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000440711853 387676632 /nfs/dbraw/zinc/67/66/32/387676632.db2.gz JWSSRGRKDFPZCT-NSHDSACASA-N 1 2 244.354 1.925 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363202576 387696183 /nfs/dbraw/zinc/69/61/83/387696183.db2.gz UMPMFNCKOASMNZ-LLVKDONJSA-N 1 2 235.331 1.608 20 0 BDADLO CC[C@@H](F)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000440716257 387681369 /nfs/dbraw/zinc/68/13/69/387681369.db2.gz XZVHNHOXKNTZJG-SECBINFHSA-N 1 2 218.316 1.581 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000440716257 387681373 /nfs/dbraw/zinc/68/13/73/387681373.db2.gz XZVHNHOXKNTZJG-SECBINFHSA-N 1 2 218.316 1.581 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000432004526 387743041 /nfs/dbraw/zinc/74/30/41/387743041.db2.gz AQFJBZWLVVJUKE-JLLWLGSASA-N 1 2 233.315 1.434 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000432007943 387743425 /nfs/dbraw/zinc/74/34/25/387743425.db2.gz SGRRUYQBIIVRRZ-BPCQOVAHSA-N 1 2 247.342 1.826 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](O)C(C)C)[nH+]1 ZINC000432067804 387749127 /nfs/dbraw/zinc/74/91/27/387749127.db2.gz SAIUHJSOJQDUPY-JTQLQIEISA-N 1 2 234.303 1.117 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000367779948 387752135 /nfs/dbraw/zinc/75/21/35/387752135.db2.gz APJHCZUKUQJJHD-MNOVXSKESA-N 1 2 225.288 1.688 20 0 BDADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000367779948 387752143 /nfs/dbraw/zinc/75/21/43/387752143.db2.gz APJHCZUKUQJJHD-MNOVXSKESA-N 1 2 225.288 1.688 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000377196822 387699443 /nfs/dbraw/zinc/69/94/43/387699443.db2.gz OINNUHIRGSDVHN-JGVFFNPUSA-N 1 2 225.317 1.154 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000377196822 387699446 /nfs/dbraw/zinc/69/94/46/387699446.db2.gz OINNUHIRGSDVHN-JGVFFNPUSA-N 1 2 225.317 1.154 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccc(F)cc3n2C)C[C@@H]1O ZINC000431423417 387707462 /nfs/dbraw/zinc/70/74/62/387707462.db2.gz USEONFHQOBBZCQ-UFBFGSQYSA-N 1 2 249.289 1.529 20 0 BDADLO c1ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)[nH+]c1 ZINC000367521786 387721494 /nfs/dbraw/zinc/72/14/94/387721494.db2.gz YVXSPCKHJJFONA-DGCLKSJQSA-N 1 2 234.299 1.832 20 0 BDADLO CC(C)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000441489241 387764699 /nfs/dbraw/zinc/76/46/99/387764699.db2.gz SNACEXVTWYVPEC-UHFFFAOYSA-N 1 2 223.324 1.078 20 0 BDADLO CCCCN(CC)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000422923334 387778248 /nfs/dbraw/zinc/77/82/48/387778248.db2.gz RSDZKGMKGQGGHZ-JTQLQIEISA-N 1 2 241.360 1.792 20 0 BDADLO CCCC[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000048346975 387781071 /nfs/dbraw/zinc/78/10/71/387781071.db2.gz YCXFQMFPHIORHO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000048346975 387781076 /nfs/dbraw/zinc/78/10/76/387781076.db2.gz YCXFQMFPHIORHO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO O=C(c1cnsn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378409270 387784026 /nfs/dbraw/zinc/78/40/26/387784026.db2.gz LRHCHDANSHVRFK-MRVPVSSYSA-N 1 2 249.299 1.239 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cncnc2C)n1 ZINC000527923995 387791112 /nfs/dbraw/zinc/79/11/12/387791112.db2.gz DNSLRBJEPGPMSX-SECBINFHSA-N 1 2 246.318 1.247 20 0 BDADLO CC[C@@H]([NH2+]CCCOC(F)F)C(=O)OC ZINC000193608867 387797450 /nfs/dbraw/zinc/79/74/50/387797450.db2.gz UDDABQFHGVPQNH-SSDOTTSWSA-N 1 2 225.235 1.157 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cncc(C)c1 ZINC000442686331 387822599 /nfs/dbraw/zinc/82/25/99/387822599.db2.gz LCZAAFYBJKKRDO-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cncc(C)c1 ZINC000442686331 387822603 /nfs/dbraw/zinc/82/26/03/387822603.db2.gz LCZAAFYBJKKRDO-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCN(CC2(C)CCC2)[C@H](C)C1 ZINC000432798142 387823531 /nfs/dbraw/zinc/82/35/31/387823531.db2.gz NTLKFBCAZJNCON-CHWSQXEVSA-N 1 2 240.391 1.564 20 0 BDADLO C[C@@H](O)C[N@H+]1CCN(CC2(C)CCC2)[C@H](C)C1 ZINC000432798142 387823535 /nfs/dbraw/zinc/82/35/35/387823535.db2.gz NTLKFBCAZJNCON-CHWSQXEVSA-N 1 2 240.391 1.564 20 0 BDADLO COc1ccc[nH+]c1NCCCc1cnn(C)n1 ZINC000528023876 387828742 /nfs/dbraw/zinc/82/87/42/387828742.db2.gz CLHXVCOVDZWRFG-UHFFFAOYSA-N 1 2 247.302 1.263 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc2c(c1)OCO2 ZINC000054764449 387829620 /nfs/dbraw/zinc/82/96/20/387829620.db2.gz HJUAXFSHDPULMY-VIFPVBQESA-N 1 2 245.282 1.989 20 0 BDADLO CC(C)CC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000442733752 387832744 /nfs/dbraw/zinc/83/27/44/387832744.db2.gz CVQBGYLQGDVRPK-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1[nH]cc[nH+]1 ZINC000442804113 387844349 /nfs/dbraw/zinc/84/43/49/387844349.db2.gz YSGDDXIPQNKOEO-MMWGEVLESA-N 1 2 249.314 1.402 20 0 BDADLO CC[C@H](NC(=O)COCC1CC1)c1[nH]cc[nH+]1 ZINC000442810442 387846000 /nfs/dbraw/zinc/84/60/00/387846000.db2.gz MICFSQHFDGEBKD-JTQLQIEISA-N 1 2 237.303 1.404 20 0 BDADLO Cn1ccc(CSCCn2cc[nH+]c2)cc1=O ZINC000611183196 387854561 /nfs/dbraw/zinc/85/45/61/387854561.db2.gz AYGREQZUHLVJKC-UHFFFAOYSA-N 1 2 249.339 1.515 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc[nH+]c(C)n1 ZINC000528158241 387859048 /nfs/dbraw/zinc/85/90/48/387859048.db2.gz ZNCIUPQWOXOUNW-KOLCDFICSA-N 1 2 207.277 1.764 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1ccsc1 ZINC000452572921 387861388 /nfs/dbraw/zinc/86/13/88/387861388.db2.gz ITRYOTYJQNZKHW-UHFFFAOYSA-N 1 2 249.339 1.823 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cccc(=O)[nH]1 ZINC000235822369 387864339 /nfs/dbraw/zinc/86/43/39/387864339.db2.gz HQKPGEXSGUQIDA-UHFFFAOYSA-N 1 2 229.239 1.331 20 0 BDADLO COC(=O)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193867086 387866812 /nfs/dbraw/zinc/86/68/12/387866812.db2.gz OVYHAORPCLFCQL-JTQLQIEISA-N 1 2 237.303 1.152 20 0 BDADLO COC(=O)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193867086 387866815 /nfs/dbraw/zinc/86/68/15/387866815.db2.gz OVYHAORPCLFCQL-JTQLQIEISA-N 1 2 237.303 1.152 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)on1 ZINC000193964691 387870212 /nfs/dbraw/zinc/87/02/12/387870212.db2.gz QOVALVDNBWRXQC-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)on1 ZINC000193964691 387870214 /nfs/dbraw/zinc/87/02/14/387870214.db2.gz QOVALVDNBWRXQC-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO CC1(C)CCCN(CC[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000423070515 387872589 /nfs/dbraw/zinc/87/25/89/387872589.db2.gz CYLYFIVCZFSKIJ-OLZOCXBDSA-N 1 2 239.407 1.578 20 0 BDADLO Nc1ccc(NC(=O)CC[C@H]2CCOC2)c[nH+]1 ZINC000151666167 387875155 /nfs/dbraw/zinc/87/51/55/387875155.db2.gz FSRZTJHHAZXYPT-VIFPVBQESA-N 1 2 235.287 1.419 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000393233663 387882818 /nfs/dbraw/zinc/88/28/18/387882818.db2.gz CZUTYQYVJHCXBX-AXFHLTTASA-N 1 2 209.289 1.326 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000452765721 387909616 /nfs/dbraw/zinc/90/96/16/387909616.db2.gz LSVZQRUKOIFJOZ-MNOVXSKESA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)[C@@H](C)[C@H](C)O1 ZINC000438377960 387931372 /nfs/dbraw/zinc/93/13/72/387931372.db2.gz VRBRMEYRDSPZRI-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)[C@@H](C)[C@H](C)O1 ZINC000438377960 387931378 /nfs/dbraw/zinc/93/13/78/387931378.db2.gz VRBRMEYRDSPZRI-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)[C@H](C)O1 ZINC000438377960 387931382 /nfs/dbraw/zinc/93/13/82/387931382.db2.gz VRBRMEYRDSPZRI-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(C)(F)F ZINC000452861116 387931783 /nfs/dbraw/zinc/93/17/83/387931783.db2.gz JGOTZIOQRFLVKU-ZETCQYMHSA-N 1 2 245.273 1.847 20 0 BDADLO CC(=O)c1ccc(C[N@@H+](C)[C@H]2CCNC2=O)cc1 ZINC000450621053 387951841 /nfs/dbraw/zinc/95/18/41/387951841.db2.gz FAFXJSZKCAKVPN-ZDUSSCGKSA-N 1 2 246.310 1.210 20 0 BDADLO CC(=O)c1ccc(C[N@H+](C)[C@H]2CCNC2=O)cc1 ZINC000450621053 387951845 /nfs/dbraw/zinc/95/18/45/387951845.db2.gz FAFXJSZKCAKVPN-ZDUSSCGKSA-N 1 2 246.310 1.210 20 0 BDADLO C[N@@H+]1CCc2ncnc(N3CC[C@@H](F)C3)c2C1 ZINC000450601309 387940488 /nfs/dbraw/zinc/94/04/88/387940488.db2.gz PDNACMYDWQEDKX-SECBINFHSA-N 1 2 236.294 1.013 20 0 BDADLO C[N@H+]1CCc2ncnc(N3CC[C@@H](F)C3)c2C1 ZINC000450601309 387940491 /nfs/dbraw/zinc/94/04/91/387940491.db2.gz PDNACMYDWQEDKX-SECBINFHSA-N 1 2 236.294 1.013 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453013588 387960313 /nfs/dbraw/zinc/96/03/13/387960313.db2.gz KECWLKURQAGPII-GHMZBOCLSA-N 1 2 237.347 1.574 20 0 BDADLO CC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000453013588 387960315 /nfs/dbraw/zinc/96/03/15/387960315.db2.gz KECWLKURQAGPII-GHMZBOCLSA-N 1 2 237.347 1.574 20 0 BDADLO O=C1C[N@H+](Cc2ccco2)[C@@H]2CCCC[C@H]2N1 ZINC000245575041 387961223 /nfs/dbraw/zinc/96/12/23/387961223.db2.gz ZSSZETHXUFFWQV-VXGBXAGGSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccco2)[C@@H]2CCCC[C@H]2N1 ZINC000245575041 387961225 /nfs/dbraw/zinc/96/12/25/387961225.db2.gz ZSSZETHXUFFWQV-VXGBXAGGSA-N 1 2 234.299 1.523 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000245742607 387981203 /nfs/dbraw/zinc/98/12/03/387981203.db2.gz MCPBCDLOAVUSIW-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000245742607 387981205 /nfs/dbraw/zinc/98/12/05/387981205.db2.gz MCPBCDLOAVUSIW-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1C ZINC000423203490 387988852 /nfs/dbraw/zinc/98/88/52/387988852.db2.gz MXPBBIYZEUKLJT-NQMVMOMDSA-N 1 2 239.344 1.257 20 0 BDADLO COC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H](C)O1 ZINC000439275856 387990236 /nfs/dbraw/zinc/99/02/36/387990236.db2.gz QQJDANSRMNTFHV-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H](C)O1 ZINC000439275856 387990239 /nfs/dbraw/zinc/99/02/39/387990239.db2.gz QQJDANSRMNTFHV-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000245765268 387982939 /nfs/dbraw/zinc/98/29/39/387982939.db2.gz QRYQWHKSWNDOIM-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000245765268 387982942 /nfs/dbraw/zinc/98/29/42/387982942.db2.gz QRYQWHKSWNDOIM-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CCCSC ZINC000439475063 388002323 /nfs/dbraw/zinc/00/23/23/388002323.db2.gz XBZFJDOYNJOILQ-UHFFFAOYSA-N 1 2 242.392 1.873 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CCCSC ZINC000439475063 388002329 /nfs/dbraw/zinc/00/23/29/388002329.db2.gz XBZFJDOYNJOILQ-UHFFFAOYSA-N 1 2 242.392 1.873 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000533127294 388002746 /nfs/dbraw/zinc/00/27/46/388002746.db2.gz GIMPBOLASOWDLO-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO COC[C@H](C)CC(=O)Nc1c[nH+]ccc1OC ZINC000446147395 388005220 /nfs/dbraw/zinc/00/52/20/388005220.db2.gz UPKPPCNAUJSFNB-SECBINFHSA-N 1 2 238.287 1.701 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(=O)c2ccccc21 ZINC000439558495 388009137 /nfs/dbraw/zinc/00/91/37/388009137.db2.gz UHDDFOBNQTZWNN-UHFFFAOYSA-N 1 2 239.278 1.783 20 0 BDADLO Cc1cccnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000080526145 387996130 /nfs/dbraw/zinc/99/61/30/387996130.db2.gz YBADPYSJYIHMMT-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccc(F)cc2)c[nH+]1 ZINC000082268198 388021075 /nfs/dbraw/zinc/02/10/75/388021075.db2.gz JAQYZBZMSXPPSK-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1[nH]c(=O)ccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000439848948 388023245 /nfs/dbraw/zinc/02/32/45/388023245.db2.gz XTMZKSKEFJGUAD-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)ns1 ZINC000278381329 177787416 /nfs/dbraw/zinc/78/74/16/177787416.db2.gz YZKAPQOYRWFDGW-UHFFFAOYSA-N 1 2 236.300 1.078 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246286629 388028390 /nfs/dbraw/zinc/02/83/90/388028390.db2.gz BEVUTISDQLDWKF-WDEREUQCSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246286629 388028392 /nfs/dbraw/zinc/02/83/92/388028392.db2.gz BEVUTISDQLDWKF-WDEREUQCSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)c1nc(N(C)CCCO)cc[nH+]1 ZINC000440555379 388054266 /nfs/dbraw/zinc/05/42/66/388054266.db2.gz QNPKGQYOOJKTEH-UHFFFAOYSA-N 1 2 209.293 1.419 20 0 BDADLO CCN1C[C@@H]([NH2+][C@H](C)c2cc(C)on2)CC1=O ZINC000453355313 388057151 /nfs/dbraw/zinc/05/71/51/388057151.db2.gz LDIMLXHCIDPXPT-ZJUUUORDSA-N 1 2 237.303 1.254 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(C2CC2)CC1 ZINC000440696691 388069128 /nfs/dbraw/zinc/06/91/28/388069128.db2.gz JZBSKZOPJBMWKR-SNVBAGLBSA-N 1 2 200.301 1.515 20 0 BDADLO CC[C@H](F)C[N@H+](C)CC(=O)NC(C)C ZINC000440703555 388071212 /nfs/dbraw/zinc/07/12/12/388071212.db2.gz JBAWEXBQRSUWBQ-VIFPVBQESA-N 1 2 204.289 1.191 20 0 BDADLO CC[C@H](F)C[N@@H+](C)CC(=O)NC(C)C ZINC000440703555 388071216 /nfs/dbraw/zinc/07/12/16/388071216.db2.gz JBAWEXBQRSUWBQ-VIFPVBQESA-N 1 2 204.289 1.191 20 0 BDADLO O[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000116931009 388076678 /nfs/dbraw/zinc/07/66/78/388076678.db2.gz LENFALKCANHWFV-NSHDSACASA-N 1 2 214.268 1.806 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085636797 388093071 /nfs/dbraw/zinc/09/30/71/388093071.db2.gz WODBLAQRSRRSLS-MMWGEVLESA-N 1 2 241.331 1.341 20 0 BDADLO CO[C@H]1C[NH+](Cc2ccncc2F)C[C@@H]1OC ZINC000449286423 388167502 /nfs/dbraw/zinc/16/75/02/388167502.db2.gz UBZLAIFVQWHPJR-RYUDHWBXSA-N 1 2 240.278 1.066 20 0 BDADLO C[C@H]1C[N@H+](Cc2nn(C)c3ccccc23)CCO1 ZINC000646256140 388171094 /nfs/dbraw/zinc/17/10/94/388171094.db2.gz VRWZIALLZAQHFS-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nn(C)c3ccccc23)CCO1 ZINC000646256140 388171095 /nfs/dbraw/zinc/17/10/95/388171095.db2.gz VRWZIALLZAQHFS-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO C[C@@H]1CC=C(C(=O)Nc2cc[nH+]cc2O)CC1 ZINC000456011833 388171129 /nfs/dbraw/zinc/17/11/29/388171129.db2.gz WHKQMYIGTLMSKJ-SECBINFHSA-N 1 2 232.283 1.894 20 0 BDADLO CO[C@H](C)CCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260307 388171447 /nfs/dbraw/zinc/17/14/47/388171447.db2.gz GIFBFRTYHJMCDN-SECBINFHSA-N 1 2 237.303 1.110 20 0 BDADLO CO[C@H](C)CCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260307 388171450 /nfs/dbraw/zinc/17/14/50/388171450.db2.gz GIFBFRTYHJMCDN-SECBINFHSA-N 1 2 237.303 1.110 20 0 BDADLO CCCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259042 388171975 /nfs/dbraw/zinc/17/19/75/388171975.db2.gz BIOGSRJASAAZHM-UHFFFAOYSA-N 1 2 221.304 1.875 20 0 BDADLO CCCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259042 388171977 /nfs/dbraw/zinc/17/19/77/388171977.db2.gz BIOGSRJASAAZHM-UHFFFAOYSA-N 1 2 221.304 1.875 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646261735 388173095 /nfs/dbraw/zinc/17/30/95/388173095.db2.gz VRCQGXJDRHKCJC-MRVPVSSYSA-N 1 2 219.288 1.341 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646261735 388173096 /nfs/dbraw/zinc/17/30/96/388173096.db2.gz VRCQGXJDRHKCJC-MRVPVSSYSA-N 1 2 219.288 1.341 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn(C)nc1C)C(F)F ZINC000449356780 388180635 /nfs/dbraw/zinc/18/06/35/388180635.db2.gz AUEWFFNCEGCWEB-SECBINFHSA-N 1 2 217.263 1.862 20 0 BDADLO Cc1nocc1C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000646059170 388133882 /nfs/dbraw/zinc/13/38/82/388133882.db2.gz YUJFOCWPHZCVNH-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1nocc1C[N@H+]1CCc2nc(C)ncc2C1 ZINC000646059170 388133885 /nfs/dbraw/zinc/13/38/85/388133885.db2.gz YUJFOCWPHZCVNH-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO CC[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449653778 388248873 /nfs/dbraw/zinc/24/88/73/388248873.db2.gz SZTYZSCSCVQYCA-IUCAKERBSA-N 1 2 234.290 1.394 20 0 BDADLO CC[C@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000336662841 388260996 /nfs/dbraw/zinc/26/09/96/388260996.db2.gz CNGTUUFLQDYLSW-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CC1(F)F ZINC000456348557 388196765 /nfs/dbraw/zinc/19/67/65/388196765.db2.gz KKPNRZXNHBGGIJ-JGVFFNPUSA-N 1 2 243.257 1.735 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456404091 388199456 /nfs/dbraw/zinc/19/94/56/388199456.db2.gz WXUZBKYWYICFID-LMLFDSFASA-N 1 2 249.314 1.430 20 0 BDADLO CCn1ncnc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000488988513 388200490 /nfs/dbraw/zinc/20/04/90/388200490.db2.gz UXYPLCKRGNAIPZ-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000488988513 388200492 /nfs/dbraw/zinc/20/04/92/388200492.db2.gz UXYPLCKRGNAIPZ-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO COC(=O)[C@@H](CC(C)C)N(C)Cc1c[nH+]c[nH]1 ZINC000449427540 388202861 /nfs/dbraw/zinc/20/28/61/388202861.db2.gz SODMDKJUTRIYNN-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO COC(=O)[C@@H](CC(C)C)N(C)Cc1c[nH]c[nH+]1 ZINC000449427540 388202864 /nfs/dbraw/zinc/20/28/64/388202864.db2.gz SODMDKJUTRIYNN-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO CCc1ccc(C[N@@H+](CC)C2COC2)cn1 ZINC000449430455 388203557 /nfs/dbraw/zinc/20/35/57/388203557.db2.gz ZWHVDVYYZZUNAV-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+](CC)C2COC2)cn1 ZINC000449430455 388203558 /nfs/dbraw/zinc/20/35/58/388203558.db2.gz ZWHVDVYYZZUNAV-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO Cn1c[nH+]c(CCNc2ccc(F)cn2)c1 ZINC000313489554 256550015 /nfs/dbraw/zinc/55/00/15/256550015.db2.gz WVVKVOKCZANKHY-UHFFFAOYSA-N 1 2 220.251 1.609 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@](C)(O)C2CC2)c[nH+]1 ZINC000456840272 388226600 /nfs/dbraw/zinc/22/66/00/388226600.db2.gz NNHVKIMTNCCIIR-CQSZACIVSA-N 1 2 248.326 1.476 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H](O)C(C)C)c[nH+]1 ZINC000456850345 388227132 /nfs/dbraw/zinc/22/71/32/388227132.db2.gz WIGTZUUNUUXZHY-LBPRGKRZSA-N 1 2 236.315 1.332 20 0 BDADLO COC[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456855163 388228009 /nfs/dbraw/zinc/22/80/09/388228009.db2.gz ZJPXCAMFDVNOJU-JTQLQIEISA-N 1 2 236.315 1.597 20 0 BDADLO CCOC[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000489951087 388229262 /nfs/dbraw/zinc/22/92/62/388229262.db2.gz ZBJXHMGMUUVXQP-JTQLQIEISA-N 1 2 231.299 1.889 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000489946364 388229339 /nfs/dbraw/zinc/22/93/39/388229339.db2.gz LSTAGJBPKWFZST-GXSJLCMTSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000489946364 388229341 /nfs/dbraw/zinc/22/93/41/388229341.db2.gz LSTAGJBPKWFZST-GXSJLCMTSA-N 1 2 249.362 1.871 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)[nH]1 ZINC000451577332 388282452 /nfs/dbraw/zinc/28/24/52/388282452.db2.gz VQIDLISIHNHQNC-VHSXEESVSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)[nH]1 ZINC000451577332 388282454 /nfs/dbraw/zinc/28/24/54/388282454.db2.gz VQIDLISIHNHQNC-VHSXEESVSA-N 1 2 238.335 1.224 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]C[C@@H]1CCCO1)C(C)C ZINC000451603718 388283333 /nfs/dbraw/zinc/28/33/33/388283333.db2.gz KJIXDPSIRUXVQS-RYUDHWBXSA-N 1 2 243.347 1.731 20 0 BDADLO CCCc1noc(C[NH2+][C@H]2COCC2(C)C)n1 ZINC000451828465 388298478 /nfs/dbraw/zinc/29/84/78/388298478.db2.gz RUKLBHCSBPCWKP-VIFPVBQESA-N 1 2 239.319 1.537 20 0 BDADLO CCCc1noc(C[NH2+][C@@H]2COCC2(C)C)n1 ZINC000451828464 388299360 /nfs/dbraw/zinc/29/93/60/388299360.db2.gz RUKLBHCSBPCWKP-SECBINFHSA-N 1 2 239.319 1.537 20 0 BDADLO C[C@@H](F)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000451834515 388299843 /nfs/dbraw/zinc/29/98/43/388299843.db2.gz NTOJIIIAYMMJIT-SFYZADRCSA-N 1 2 213.243 1.682 20 0 BDADLO C[C@@H](F)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451834515 388299845 /nfs/dbraw/zinc/29/98/45/388299845.db2.gz NTOJIIIAYMMJIT-SFYZADRCSA-N 1 2 213.243 1.682 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\C1CC1 ZINC000491932214 388328286 /nfs/dbraw/zinc/32/82/86/388328286.db2.gz QHFUIGFNOUKGKU-UMCURTJPSA-N 1 2 219.288 1.354 20 0 BDADLO C[N@H+](CCN1CCCOCC1)Cc1ccccn1 ZINC000451369795 388266037 /nfs/dbraw/zinc/26/60/37/388266037.db2.gz STUZCNPGKHJLCE-UHFFFAOYSA-N 1 2 249.358 1.236 20 0 BDADLO C[N@@H+](CCN1CCCOCC1)Cc1ccccn1 ZINC000451369795 388266038 /nfs/dbraw/zinc/26/60/38/388266038.db2.gz STUZCNPGKHJLCE-UHFFFAOYSA-N 1 2 249.358 1.236 20 0 BDADLO CCn1c(C)nnc1C[NH+]1CCC(CF)CC1 ZINC000451389906 388268495 /nfs/dbraw/zinc/26/84/95/388268495.db2.gz XINKBBDUTDKJJV-UHFFFAOYSA-N 1 2 240.326 1.788 20 0 BDADLO CCN(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492410716 388343810 /nfs/dbraw/zinc/34/38/10/388343810.db2.gz RXWXRNFBMXGZNX-VOTSOKGWSA-N 1 2 207.277 1.395 20 0 BDADLO C[C@H]([NH2+]CCC(F)(F)F)c1ncn(C)n1 ZINC000275671791 388345025 /nfs/dbraw/zinc/34/50/25/388345025.db2.gz ZDFJANMGBZEBCT-LURJTMIESA-N 1 2 222.214 1.418 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275860524 388345764 /nfs/dbraw/zinc/34/57/64/388345764.db2.gz UCKZLALUHZPRBH-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CCc1onc(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000646364040 388345891 /nfs/dbraw/zinc/34/58/91/388345891.db2.gz FRVJGAUORZNQSP-MRVPVSSYSA-N 1 2 248.286 1.760 20 0 BDADLO C[C@@H](Cn1cncn1)Nc1cccc[nH+]1 ZINC000277043074 388352499 /nfs/dbraw/zinc/35/24/99/388352499.db2.gz GDKRIRKTVYFOHB-VIFPVBQESA-N 1 2 203.249 1.174 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1snnc1C ZINC000572648700 388362069 /nfs/dbraw/zinc/36/20/69/388362069.db2.gz NQVVNVOURJOYRA-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1snnc1C ZINC000572648700 388362071 /nfs/dbraw/zinc/36/20/71/388362071.db2.gz NQVVNVOURJOYRA-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1snnc1C ZINC000572648697 388362979 /nfs/dbraw/zinc/36/29/79/388362979.db2.gz NQVVNVOURJOYRA-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1snnc1C ZINC000572648697 388362983 /nfs/dbraw/zinc/36/29/83/388362983.db2.gz NQVVNVOURJOYRA-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1cnc(SCCn2cc[nH+]c2)[nH]c1=O ZINC000572663608 388363842 /nfs/dbraw/zinc/36/38/42/388363842.db2.gz SLNKPDREQWQSKF-UHFFFAOYSA-N 1 2 236.300 1.479 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230267538 388364773 /nfs/dbraw/zinc/36/47/73/388364773.db2.gz XQTDZRNLOCFHOW-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000230267538 388364775 /nfs/dbraw/zinc/36/47/75/388364775.db2.gz XQTDZRNLOCFHOW-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H](CCO)CNc1nc[nH+]c(N)c1Cl ZINC000235437847 388369259 /nfs/dbraw/zinc/36/92/59/388369259.db2.gz VLTDQPRCIRFVOM-ZCFIWIBFSA-N 1 2 230.699 1.143 20 0 BDADLO C[C@H](CCO)CNc1[nH+]cnc(N)c1Cl ZINC000235437847 388369262 /nfs/dbraw/zinc/36/92/62/388369262.db2.gz VLTDQPRCIRFVOM-ZCFIWIBFSA-N 1 2 230.699 1.143 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000572779446 388375401 /nfs/dbraw/zinc/37/54/01/388375401.db2.gz LLXXNHXMKPSZMJ-JFUSQASVSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000572779446 388375404 /nfs/dbraw/zinc/37/54/04/388375404.db2.gz LLXXNHXMKPSZMJ-JFUSQASVSA-N 1 2 233.315 1.503 20 0 BDADLO Cc1ccc(CCNc2nc(C)[nH+]cc2C)nc1 ZINC000572781410 388375894 /nfs/dbraw/zinc/37/58/94/388375894.db2.gz OAZQQYTVZUEMNH-UHFFFAOYSA-N 1 2 242.326 1.873 20 0 BDADLO COc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cn1 ZINC000646558181 388381927 /nfs/dbraw/zinc/38/19/27/388381927.db2.gz CUPAWNPHVUCPPQ-JTQLQIEISA-N 1 2 249.314 1.369 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)C[C@@H](C)O ZINC000164921231 388388065 /nfs/dbraw/zinc/38/80/65/388388065.db2.gz RQZLRBTVVBETBS-RKDXNWHRSA-N 1 2 210.277 1.662 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cn(CC2CC2)nn1 ZINC000520338911 256671354 /nfs/dbraw/zinc/67/13/54/256671354.db2.gz CIMOWXBENGVJFT-NXEZZACHSA-N 1 2 220.320 1.671 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\C1CCC1 ZINC000492080661 388334079 /nfs/dbraw/zinc/33/40/79/388334079.db2.gz DBJLVGMLAJECJH-ISALQUGTSA-N 1 2 233.315 1.744 20 0 BDADLO C/C=C(/C=C\C(=O)NCc1[nH+]ccn1C)CC ZINC000492157065 388336768 /nfs/dbraw/zinc/33/67/68/388336768.db2.gz KDPUINPLQIESIR-BJNIYONUSA-N 1 2 233.315 1.949 20 0 BDADLO O=C(C1CC1)N1CC[NH+](CC2(F)CC2)CC1 ZINC000525977568 388440855 /nfs/dbraw/zinc/44/08/55/388440855.db2.gz YBAFJZBLZKJYRS-UHFFFAOYSA-N 1 2 226.295 1.043 20 0 BDADLO CC[C@@](C)(CNc1[nH+]cnc2c1cnn2C)OC ZINC000322751516 388445826 /nfs/dbraw/zinc/44/58/26/388445826.db2.gz DLZXIXCZGPRUTR-LBPRGKRZSA-N 1 2 249.318 1.590 20 0 BDADLO CC(C)(C(=O)NCCc1[nH]cc[nH+]1)C1CCC1 ZINC000322914399 388450077 /nfs/dbraw/zinc/45/00/77/388450077.db2.gz GMJKTKCISMFECF-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000649210548 388459023 /nfs/dbraw/zinc/45/90/23/388459023.db2.gz ZYUBYSBUBWFVFM-ZYHUDNBSSA-N 1 2 247.342 1.608 20 0 BDADLO CC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000082333574 388463298 /nfs/dbraw/zinc/46/32/98/388463298.db2.gz OTROVZZQIRHVRW-ZDUSSCGKSA-N 1 2 246.310 1.922 20 0 BDADLO CC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000082333574 388463302 /nfs/dbraw/zinc/46/33/02/388463302.db2.gz OTROVZZQIRHVRW-ZDUSSCGKSA-N 1 2 246.310 1.922 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C=CCCC1 ZINC000176903223 388466965 /nfs/dbraw/zinc/46/69/65/388466965.db2.gz LNFPCTGRNXLMGH-SECBINFHSA-N 1 2 229.287 1.884 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1c1[nH+]cnc2c1cnn2C ZINC000176920804 388467097 /nfs/dbraw/zinc/46/70/97/388467097.db2.gz MZCFATDHNSVDPN-RKDXNWHRSA-N 1 2 231.303 1.741 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccc(C(C)=O)c1 ZINC000649250492 388469628 /nfs/dbraw/zinc/46/96/28/388469628.db2.gz IDKSFYWNXMPPSS-UHFFFAOYSA-N 1 2 248.326 1.457 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccc(C(C)=O)c1 ZINC000649250492 388469629 /nfs/dbraw/zinc/46/96/29/388469629.db2.gz IDKSFYWNXMPPSS-UHFFFAOYSA-N 1 2 248.326 1.457 20 0 BDADLO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C(=O)OC ZINC000336728849 388470003 /nfs/dbraw/zinc/47/00/03/388470003.db2.gz INYASBOZDIIWSM-RNFRBKRXSA-N 1 2 227.226 1.869 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2CC[C@H](C)O)no1 ZINC000649252477 388470154 /nfs/dbraw/zinc/47/01/54/388470154.db2.gz LASNHPUPIZMGCS-ONGXEEELSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2CC[C@H](C)O)no1 ZINC000649252477 388470156 /nfs/dbraw/zinc/47/01/56/388470156.db2.gz LASNHPUPIZMGCS-ONGXEEELSA-N 1 2 239.319 1.676 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000336724988 388470230 /nfs/dbraw/zinc/47/02/30/388470230.db2.gz BMGGWKOXFOFXSE-QEYWKRMJSA-N 1 2 229.320 1.197 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2CC[C@@H](C)O)no1 ZINC000649252476 388470802 /nfs/dbraw/zinc/47/08/02/388470802.db2.gz LASNHPUPIZMGCS-MWLCHTKSSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2CC[C@@H](C)O)no1 ZINC000649252476 388470804 /nfs/dbraw/zinc/47/08/04/388470804.db2.gz LASNHPUPIZMGCS-MWLCHTKSSA-N 1 2 239.319 1.676 20 0 BDADLO CC(C)c1cc(N2CCCC[NH2+]2)n2ncnc2n1 ZINC000515772032 256755143 /nfs/dbraw/zinc/75/51/43/256755143.db2.gz GFRNCLJPUZYVMM-UHFFFAOYSA-N 1 2 246.318 1.353 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1CCC1 ZINC000034653222 388478661 /nfs/dbraw/zinc/47/86/61/388478661.db2.gz PPRWGXXTQWDGBQ-UHFFFAOYSA-N 1 2 217.276 1.575 20 0 BDADLO C1=C(C[N@@H+]2CCN3CCCC[C@@H]3C2)COCC1 ZINC000245562246 388423934 /nfs/dbraw/zinc/42/39/34/388423934.db2.gz OTALJKWUBQGZLB-CQSZACIVSA-N 1 2 236.359 1.503 20 0 BDADLO C1=C(C[N@H+]2CCN3CCCC[C@@H]3C2)COCC1 ZINC000245562246 388423935 /nfs/dbraw/zinc/42/39/35/388423935.db2.gz OTALJKWUBQGZLB-CQSZACIVSA-N 1 2 236.359 1.503 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000528527204 388544042 /nfs/dbraw/zinc/54/40/42/388544042.db2.gz SFKYVTNMWNSFJN-JQYSZMLTSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000528527204 388544044 /nfs/dbraw/zinc/54/40/44/388544044.db2.gz SFKYVTNMWNSFJN-JQYSZMLTSA-N 1 2 219.712 1.211 20 0 BDADLO CO[C@@H](C)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451586247 256783065 /nfs/dbraw/zinc/78/30/65/256783065.db2.gz GGSWKGZIOZBXAP-QWRGUYRKSA-N 1 2 231.336 1.587 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000648901867 388487150 /nfs/dbraw/zinc/48/71/50/388487150.db2.gz FLVDQCVAQXLATG-ZWNOBZJWSA-N 1 2 248.330 1.250 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2cnn(C)n2)s1 ZINC000290224593 388495945 /nfs/dbraw/zinc/49/59/45/388495945.db2.gz XNQBPUWFSXXGED-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1O ZINC000135554024 388500538 /nfs/dbraw/zinc/50/05/38/388500538.db2.gz VGNVCVGEVZVZSY-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000135618314 388502314 /nfs/dbraw/zinc/50/23/14/388502314.db2.gz JATVOIFFEMMOJG-GWCFXTLKSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000135618314 388502316 /nfs/dbraw/zinc/50/23/16/388502316.db2.gz JATVOIFFEMMOJG-GWCFXTLKSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000135618295 388503270 /nfs/dbraw/zinc/50/32/70/388503270.db2.gz JATVOIFFEMMOJG-GXFFZTMASA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000135618295 388503271 /nfs/dbraw/zinc/50/32/71/388503271.db2.gz JATVOIFFEMMOJG-GXFFZTMASA-N 1 2 240.347 1.154 20 0 BDADLO COCCC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000528582056 388549203 /nfs/dbraw/zinc/54/92/03/388549203.db2.gz LCPGHFGVKTUSJI-UHFFFAOYSA-N 1 2 238.335 1.362 20 0 BDADLO CC[C@@]1(C)C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000135726238 388507795 /nfs/dbraw/zinc/50/77/95/388507795.db2.gz LFBNPARCLMCDQS-ZDUSSCGKSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000135726238 388507796 /nfs/dbraw/zinc/50/77/96/388507796.db2.gz LFBNPARCLMCDQS-ZDUSSCGKSA-N 1 2 242.363 1.354 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C1CC1 ZINC000397927446 388512063 /nfs/dbraw/zinc/51/20/63/388512063.db2.gz KQOFHTQLNDELSK-FKTZTGRPSA-N 1 2 229.345 1.422 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548133202 388516043 /nfs/dbraw/zinc/51/60/43/388516043.db2.gz YPLRAHAVLATRHU-NEPJUHHUSA-N 1 2 235.331 1.371 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000078892329 388516973 /nfs/dbraw/zinc/51/69/73/388516973.db2.gz QDLHYEZBRBISPP-MNOVXSKESA-N 1 2 220.272 1.754 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCOC2CCC2)n1 ZINC000516781171 388517517 /nfs/dbraw/zinc/51/75/17/388517517.db2.gz BLNRRJGZVXCQPQ-SECBINFHSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCOC2CCC2)n1 ZINC000516781171 388517519 /nfs/dbraw/zinc/51/75/19/388517519.db2.gz BLNRRJGZVXCQPQ-SECBINFHSA-N 1 2 239.319 1.940 20 0 BDADLO C/C(Cl)=C/C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000528387141 388519641 /nfs/dbraw/zinc/51/96/41/388519641.db2.gz LALKNNZMDZUIHW-USYJTPIQSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C/C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000528387141 388519643 /nfs/dbraw/zinc/51/96/43/388519643.db2.gz LALKNNZMDZUIHW-USYJTPIQSA-N 1 2 216.712 1.292 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876922 388522513 /nfs/dbraw/zinc/52/25/13/388522513.db2.gz LKAXLVVNFMPOIC-VCDKRKBESA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876922 388522516 /nfs/dbraw/zinc/52/25/16/388522516.db2.gz LKAXLVVNFMPOIC-VCDKRKBESA-N 1 2 247.342 1.893 20 0 BDADLO CCCCN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548254703 388523111 /nfs/dbraw/zinc/52/31/11/388523111.db2.gz JPAZSDOTDXFJQF-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000528453477 388528812 /nfs/dbraw/zinc/52/88/12/388528812.db2.gz OGFKLFODONGZCQ-HKTIAHBFSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000528453477 388528813 /nfs/dbraw/zinc/52/88/13/388528813.db2.gz OGFKLFODONGZCQ-HKTIAHBFSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C/C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000528464745 388530384 /nfs/dbraw/zinc/53/03/84/388530384.db2.gz FMYYGVNJPYTVHW-NZGHECTNSA-N 1 2 214.700 1.608 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000528500224 388535705 /nfs/dbraw/zinc/53/57/05/388535705.db2.gz FLEFDJGGPFQQAG-ABTJETJPSA-N 1 2 207.676 1.534 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000528500224 388535709 /nfs/dbraw/zinc/53/57/09/388535709.db2.gz FLEFDJGGPFQQAG-ABTJETJPSA-N 1 2 207.676 1.534 20 0 BDADLO COc1cccc(OC)c1C[NH+]1CCOCC1 ZINC000031560917 388587305 /nfs/dbraw/zinc/58/73/05/388587305.db2.gz QLTNFKSDYJLIHV-UHFFFAOYSA-N 1 2 237.299 1.536 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000649315617 388604689 /nfs/dbraw/zinc/60/46/89/388604689.db2.gz MUPPOFPZFIJKSQ-RYUDHWBXSA-N 1 2 239.315 1.814 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000649315617 388604692 /nfs/dbraw/zinc/60/46/92/388604692.db2.gz MUPPOFPZFIJKSQ-RYUDHWBXSA-N 1 2 239.315 1.814 20 0 BDADLO C[C@@H]1CC(F)(F)CCN1C(=O)Cn1cc[nH+]c1 ZINC000530012561 388604724 /nfs/dbraw/zinc/60/47/24/388604724.db2.gz YQYBYIWHZBPRQX-SECBINFHSA-N 1 2 243.257 1.529 20 0 BDADLO C[C@H]1CC(F)(F)CCN1C(=O)Cn1cc[nH+]c1 ZINC000530012562 388604912 /nfs/dbraw/zinc/60/49/12/388604912.db2.gz YQYBYIWHZBPRQX-VIFPVBQESA-N 1 2 243.257 1.529 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)o1 ZINC000187447937 388608195 /nfs/dbraw/zinc/60/81/95/388608195.db2.gz OZMACLXOKZITPQ-WCBMZHEXSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)o1 ZINC000187447937 388608198 /nfs/dbraw/zinc/60/81/98/388608198.db2.gz OZMACLXOKZITPQ-WCBMZHEXSA-N 1 2 237.303 1.069 20 0 BDADLO CC1(C)COCC[N@@H+]1CCOCC(F)F ZINC000188896675 388612270 /nfs/dbraw/zinc/61/22/70/388612270.db2.gz MLZOPAIQFDZUBO-UHFFFAOYSA-N 1 2 223.263 1.379 20 0 BDADLO CC1(C)COCC[N@H+]1CCOCC(F)F ZINC000188896675 388612272 /nfs/dbraw/zinc/61/22/72/388612272.db2.gz MLZOPAIQFDZUBO-UHFFFAOYSA-N 1 2 223.263 1.379 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nsc(N(C)C)n2)[C@H]1C ZINC000246119045 388618269 /nfs/dbraw/zinc/61/82/69/388618269.db2.gz OWODHMLXHACXDR-IUCAKERBSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)[C@H]1C ZINC000246119045 388618271 /nfs/dbraw/zinc/61/82/71/388618271.db2.gz OWODHMLXHACXDR-IUCAKERBSA-N 1 2 240.376 1.834 20 0 BDADLO CCn1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cn1 ZINC000548738194 388555971 /nfs/dbraw/zinc/55/59/71/388555971.db2.gz PGUVWXMTGXLTKI-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CCn1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cn1 ZINC000548738194 388555974 /nfs/dbraw/zinc/55/59/74/388555974.db2.gz PGUVWXMTGXLTKI-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO COC1(C)C[NH+](C[C@](C)(O)C(F)(F)F)C1 ZINC000358651809 388556332 /nfs/dbraw/zinc/55/63/32/388556332.db2.gz NUURITPTJBHMGV-QMMMGPOBSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H](C)[C@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000362974969 388561670 /nfs/dbraw/zinc/56/16/70/388561670.db2.gz COGYLIAFYIUKMN-VWYCJHECSA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000362974968 388562079 /nfs/dbraw/zinc/56/20/79/388562079.db2.gz COGYLIAFYIUKMN-OUAUKWLOSA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)n1cc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000548784718 388562113 /nfs/dbraw/zinc/56/21/13/388562113.db2.gz KAGNGBQJGIJACJ-UHFFFAOYSA-N 1 2 247.302 1.379 20 0 BDADLO c1snnc1C[NH+]1CCC2(CCO2)CC1 ZINC000548807113 388563043 /nfs/dbraw/zinc/56/30/43/388563043.db2.gz MXOBJTRIOPCOQM-UHFFFAOYSA-N 1 2 225.317 1.293 20 0 BDADLO C[C@@H](CC(=O)N1CCC12CCC2)n1cc[nH+]c1 ZINC000521255824 388566872 /nfs/dbraw/zinc/56/68/72/388566872.db2.gz IRROWYSEUAEFDZ-NSHDSACASA-N 1 2 233.315 1.989 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cnnn1C ZINC000528774283 388571396 /nfs/dbraw/zinc/57/13/96/388571396.db2.gz UMSMKKVWGQBDCW-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cnnn1C ZINC000528774283 388571399 /nfs/dbraw/zinc/57/13/99/388571399.db2.gz UMSMKKVWGQBDCW-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO CC[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H](C)O ZINC000386746704 388576709 /nfs/dbraw/zinc/57/67/09/388576709.db2.gz ZUFFWQYTDUTDEC-NXEZZACHSA-N 1 2 233.315 1.567 20 0 BDADLO COC(C[NH2+][C@@H](C)c1ncccc1F)OC ZINC000528822413 388577024 /nfs/dbraw/zinc/57/70/24/388577024.db2.gz DIVSGAAAXBHQAS-QMMMGPOBSA-N 1 2 228.267 1.490 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000184711565 388581854 /nfs/dbraw/zinc/58/18/54/388581854.db2.gz PWUXVIXYPAQAKG-APPZFPTMSA-N 1 2 249.236 1.393 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000184711565 388581856 /nfs/dbraw/zinc/58/18/56/388581856.db2.gz PWUXVIXYPAQAKG-APPZFPTMSA-N 1 2 249.236 1.393 20 0 BDADLO CC(C)CO[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000521137133 256835560 /nfs/dbraw/zinc/83/55/60/256835560.db2.gz HJDPLLBJWFDETF-SNVBAGLBSA-N 1 2 239.319 1.429 20 0 BDADLO OCc1ccc(C[NH2+]Cc2nccs2)o1 ZINC000081555600 388582590 /nfs/dbraw/zinc/58/25/90/388582590.db2.gz XFZBURUGGOZKEP-UHFFFAOYSA-N 1 2 224.285 1.518 20 0 BDADLO OCC[N@H+](Cc1csnn1)C1CCCCC1 ZINC000125535435 388672915 /nfs/dbraw/zinc/67/29/15/388672915.db2.gz RCPBDTDRFVILAY-UHFFFAOYSA-N 1 2 241.360 1.665 20 0 BDADLO OCC[N@@H+](Cc1csnn1)C1CCCCC1 ZINC000125535435 388672916 /nfs/dbraw/zinc/67/29/16/388672916.db2.gz RCPBDTDRFVILAY-UHFFFAOYSA-N 1 2 241.360 1.665 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nn1C ZINC000521886847 388639607 /nfs/dbraw/zinc/63/96/07/388639607.db2.gz OGZFAAWPTKRREF-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCOC1(C)C ZINC000328364878 388642193 /nfs/dbraw/zinc/64/21/93/388642193.db2.gz GNALQOHKGXOHHP-GHMZBOCLSA-N 1 2 243.347 1.731 20 0 BDADLO CCC[C@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000189767312 388643015 /nfs/dbraw/zinc/64/30/15/388643015.db2.gz LPJYUBRNAOKHND-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO CCC[C@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000189767312 388643016 /nfs/dbraw/zinc/64/30/16/388643016.db2.gz LPJYUBRNAOKHND-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO FCCCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000551981284 388651746 /nfs/dbraw/zinc/65/17/46/388651746.db2.gz LEDJPWLWXFRCMM-VIFPVBQESA-N 1 2 213.256 1.956 20 0 BDADLO FCCCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000551981284 388651748 /nfs/dbraw/zinc/65/17/48/388651748.db2.gz LEDJPWLWXFRCMM-VIFPVBQESA-N 1 2 213.256 1.956 20 0 BDADLO Clc1cc(NCC[NH+]2CCOCC2)ccn1 ZINC000223585314 388655475 /nfs/dbraw/zinc/65/54/75/388655475.db2.gz MQOCDINKLKLDPN-UHFFFAOYSA-N 1 2 241.722 1.479 20 0 BDADLO CC(C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000194519784 388735296 /nfs/dbraw/zinc/73/52/96/388735296.db2.gz NDKOAYJIRUGSMT-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO CCO[C@@H](CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258173 388738202 /nfs/dbraw/zinc/73/82/02/388738202.db2.gz ARMCIIVDQDLDAW-NSHDSACASA-N 1 2 237.303 1.082 20 0 BDADLO Cc1ccc(CNC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000553013124 388745275 /nfs/dbraw/zinc/74/52/75/388745275.db2.gz GCVWRCGRUKUWPZ-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)[nH]1 ZINC000251434509 388747421 /nfs/dbraw/zinc/74/74/21/388747421.db2.gz ASGIFFDIUNXVHU-UWVGGRQHSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)[nH]1 ZINC000251434509 388747422 /nfs/dbraw/zinc/74/74/22/388747422.db2.gz ASGIFFDIUNXVHU-UWVGGRQHSA-N 1 2 238.335 1.224 20 0 BDADLO COc1cccnc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000553073545 388747535 /nfs/dbraw/zinc/74/75/35/388747535.db2.gz QUWYBZHMMMAVGU-JTQLQIEISA-N 1 2 249.314 1.369 20 0 BDADLO O=C(CCC1CC1)NCCCCn1cc[nH+]c1 ZINC000522348365 388752586 /nfs/dbraw/zinc/75/25/86/388752586.db2.gz JOTCNBQTZXOTEV-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000248626800 388687534 /nfs/dbraw/zinc/68/75/34/388687534.db2.gz PWUXVIXYPAQAKG-IONNQARKSA-N 1 2 249.236 1.393 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000248626800 388687537 /nfs/dbraw/zinc/68/75/37/388687537.db2.gz PWUXVIXYPAQAKG-IONNQARKSA-N 1 2 249.236 1.393 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)on1 ZINC000065424993 388692250 /nfs/dbraw/zinc/69/22/50/388692250.db2.gz GBZIIAJBBJZUOJ-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)on1 ZINC000065424993 388692252 /nfs/dbraw/zinc/69/22/52/388692252.db2.gz GBZIIAJBBJZUOJ-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO CCC1(CC)[C@H]([NH2+]CC(=O)OC)[C@@H](C)[C@H]1OC ZINC000248834379 388695748 /nfs/dbraw/zinc/69/57/48/388695748.db2.gz MULHAEWRNYJJEQ-YUSALJHKSA-N 1 2 243.347 1.589 20 0 BDADLO C[N@H+](Cc1ccnc(N)c1)Cc1cnccn1 ZINC000193372882 388702401 /nfs/dbraw/zinc/70/24/01/388702401.db2.gz QVFXTIPEZSHBLP-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1ccnc(N)c1)Cc1cnccn1 ZINC000193372882 388702404 /nfs/dbraw/zinc/70/24/04/388702404.db2.gz QVFXTIPEZSHBLP-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000249037588 388704949 /nfs/dbraw/zinc/70/49/49/388704949.db2.gz CLSPFYZIPXPVII-BXKDBHETSA-N 1 2 247.342 1.870 20 0 BDADLO CCCn1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000127013202 388710369 /nfs/dbraw/zinc/71/03/69/388710369.db2.gz MZIHUKYXZPMCHB-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO COCC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552557507 388726237 /nfs/dbraw/zinc/72/62/37/388726237.db2.gz GHXJBZBUSSAYMO-MRVPVSSYSA-N 1 2 225.292 1.260 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccncc1 ZINC000127725727 388729443 /nfs/dbraw/zinc/72/94/43/388729443.db2.gz MGQBGVUDIMTTCF-UHFFFAOYSA-N 1 2 217.232 1.126 20 0 BDADLO CCCc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000194362119 388730790 /nfs/dbraw/zinc/73/07/90/388730790.db2.gz XLKVFLXQPWYLEG-UHFFFAOYSA-N 1 2 232.327 1.571 20 0 BDADLO CCCc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000194362119 388730793 /nfs/dbraw/zinc/73/07/93/388730793.db2.gz XLKVFLXQPWYLEG-UHFFFAOYSA-N 1 2 232.327 1.571 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067226495 388731277 /nfs/dbraw/zinc/73/12/77/388731277.db2.gz HDCQBBUUZJXWND-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067226495 388731278 /nfs/dbraw/zinc/73/12/78/388731278.db2.gz HDCQBBUUZJXWND-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nccn1C ZINC000553878141 388792201 /nfs/dbraw/zinc/79/22/01/388792201.db2.gz UAZSDCIANCZNQX-CYBMUJFWSA-N 1 2 245.326 1.552 20 0 BDADLO C[C@H](CF)[NH2+]Cc1nccn1CC(F)(F)F ZINC000288514918 388760805 /nfs/dbraw/zinc/76/08/05/388760805.db2.gz UASGMEKJYWAXCQ-SSDOTTSWSA-N 1 2 239.216 1.893 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000128609348 388774780 /nfs/dbraw/zinc/77/47/80/388774780.db2.gz SVMRMKKSRPRHOJ-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000128609348 388774784 /nfs/dbraw/zinc/77/47/84/388774784.db2.gz SVMRMKKSRPRHOJ-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CCn1cc[nH+]c1CN1CCC(=O)[C@H](C)C1 ZINC000229512491 388791508 /nfs/dbraw/zinc/79/15/08/388791508.db2.gz HLSFYVXUAUYSFT-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000230155558 388817235 /nfs/dbraw/zinc/81/72/35/388817235.db2.gz PAEVHPKULVLVIX-MWLCHTKSSA-N 1 2 209.293 1.375 20 0 BDADLO CN(C#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000554746084 388830269 /nfs/dbraw/zinc/83/02/69/388830269.db2.gz QKEHHDPHYXJUCZ-UHFFFAOYSA-N 1 2 240.266 1.484 20 0 BDADLO Cc1cc(NC(=O)N2CCCOCC2)c(C)c[nH+]1 ZINC000371414680 177702232 /nfs/dbraw/zinc/70/22/32/177702232.db2.gz KQGZFPUFSKBPSM-UHFFFAOYSA-N 1 2 249.314 1.375 20 0 BDADLO CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523375241 388837047 /nfs/dbraw/zinc/83/70/47/388837047.db2.gz UNTGBXXIBZUXOR-UHFFFAOYSA-N 1 2 245.286 1.144 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000523451093 388839807 /nfs/dbraw/zinc/83/98/07/388839807.db2.gz QSGGHJYDFDOHJI-SECBINFHSA-N 1 2 236.290 1.491 20 0 BDADLO CNC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000523451093 388839810 /nfs/dbraw/zinc/83/98/10/388839810.db2.gz QSGGHJYDFDOHJI-SECBINFHSA-N 1 2 236.290 1.491 20 0 BDADLO C[C@@H](C[NH2+]Cc1ccc2nc[nH]c2c1)C[NH+](C)C ZINC000555582198 388855586 /nfs/dbraw/zinc/85/55/86/388855586.db2.gz DQCXVMUHHXNVAQ-NSHDSACASA-N 1 2 246.358 1.850 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cc(C)ncn2)cnn1C ZINC000555658083 388858326 /nfs/dbraw/zinc/85/83/26/388858326.db2.gz JIUWOOFBXWMNAC-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cc(C)ncn2)cnn1C ZINC000555658083 388858328 /nfs/dbraw/zinc/85/83/28/388858328.db2.gz JIUWOOFBXWMNAC-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO COc1cccc2c1C[N@H+](Cc1ncc[nH]1)CC2 ZINC000648770044 388858312 /nfs/dbraw/zinc/85/83/12/388858312.db2.gz LRRYQRPORLRJRC-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1cccc2c1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC000648770044 388858316 /nfs/dbraw/zinc/85/83/16/388858316.db2.gz LRRYQRPORLRJRC-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000556088366 388867138 /nfs/dbraw/zinc/86/71/38/388867138.db2.gz IPAMTKQWULISCU-ZDUSSCGKSA-N 1 2 245.326 1.407 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000556088366 388867140 /nfs/dbraw/zinc/86/71/40/388867140.db2.gz IPAMTKQWULISCU-ZDUSSCGKSA-N 1 2 245.326 1.407 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000129847315 388871620 /nfs/dbraw/zinc/87/16/20/388871620.db2.gz ORQDYSBQYDBPEY-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000129847315 388871623 /nfs/dbraw/zinc/87/16/23/388871623.db2.gz ORQDYSBQYDBPEY-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO C[C@H](c1ccncc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000564639723 388881540 /nfs/dbraw/zinc/88/15/40/388881540.db2.gz HHIUTAGBUNIIJP-LLVKDONJSA-N 1 2 244.298 1.498 20 0 BDADLO CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCn1cc[nH+]c1 ZINC000565104337 388914723 /nfs/dbraw/zinc/91/47/23/388914723.db2.gz NXDJITCKIIQDLJ-NSHDSACASA-N 1 2 239.319 1.314 20 0 BDADLO CC(C)C[C@@H](C(=O)[O-])[N@H+](C)CCn1cc[nH+]c1 ZINC000565104337 388914721 /nfs/dbraw/zinc/91/47/21/388914721.db2.gz NXDJITCKIIQDLJ-NSHDSACASA-N 1 2 239.319 1.314 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCSC[C@H]2C)on1 ZINC000565155968 388918910 /nfs/dbraw/zinc/91/89/10/388918910.db2.gz GURQTKKNUKAWKG-MRVPVSSYSA-N 1 2 240.328 1.815 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCSC[C@H]2C)on1 ZINC000565155968 388918906 /nfs/dbraw/zinc/91/89/06/388918906.db2.gz GURQTKKNUKAWKG-MRVPVSSYSA-N 1 2 240.328 1.815 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2c[nH+]cn2C)n1 ZINC000565162203 388919582 /nfs/dbraw/zinc/91/95/82/388919582.db2.gz HZJCXLSYYBXLGK-QMMMGPOBSA-N 1 2 235.291 1.305 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCn2nncc2C1 ZINC000565173787 388921573 /nfs/dbraw/zinc/92/15/73/388921573.db2.gz RKYBQJPHRXEMHX-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cnccc1C[N@H+]1CCn2nncc2C1 ZINC000565173787 388921575 /nfs/dbraw/zinc/92/15/75/388921575.db2.gz RKYBQJPHRXEMHX-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccoc1 ZINC000565176294 388922186 /nfs/dbraw/zinc/92/21/86/388922186.db2.gz BXCVMMFRVHVQPH-VIFPVBQESA-N 1 2 233.271 1.498 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccoc1 ZINC000565176294 388922189 /nfs/dbraw/zinc/92/21/89/388922189.db2.gz BXCVMMFRVHVQPH-VIFPVBQESA-N 1 2 233.271 1.498 20 0 BDADLO Cc1cc(CNCc2[nH]c(C)c(C)[nH+]2)on1 ZINC000565239279 388931176 /nfs/dbraw/zinc/93/11/76/388931176.db2.gz VVNBFWUSIXZICX-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)(F)F ZINC000565665083 388961680 /nfs/dbraw/zinc/96/16/80/388961680.db2.gz JMMBRPKATVNFNH-ZCFIWIBFSA-N 1 2 235.209 1.267 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(F)(F)F ZINC000565665083 388961683 /nfs/dbraw/zinc/96/16/83/388961683.db2.gz JMMBRPKATVNFNH-ZCFIWIBFSA-N 1 2 235.209 1.267 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCOC(C)C)n1 ZINC000565456161 388946368 /nfs/dbraw/zinc/94/63/68/388946368.db2.gz KNFXBNPZQAWXNJ-VIFPVBQESA-N 1 2 227.308 1.796 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCOC(C)C)n1 ZINC000565456161 388946364 /nfs/dbraw/zinc/94/63/64/388946364.db2.gz KNFXBNPZQAWXNJ-VIFPVBQESA-N 1 2 227.308 1.796 20 0 BDADLO CCCCOCC[N@H+](C)Cc1nccn1C ZINC000153442442 388974312 /nfs/dbraw/zinc/97/43/12/388974312.db2.gz CWJFBKLCJOJKAJ-UHFFFAOYSA-N 1 2 225.336 1.669 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1nccn1C ZINC000153442442 388974315 /nfs/dbraw/zinc/97/43/15/388974315.db2.gz CWJFBKLCJOJKAJ-UHFFFAOYSA-N 1 2 225.336 1.669 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565953767 388980396 /nfs/dbraw/zinc/98/03/96/388980396.db2.gz KJJWKYCUAKZKRT-JTQLQIEISA-N 1 2 209.293 1.703 20 0 BDADLO C[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000268011845 389002073 /nfs/dbraw/zinc/00/20/73/389002073.db2.gz WTDPSQSFGYYVSE-QMMMGPOBSA-N 1 2 203.245 1.423 20 0 BDADLO C[C@](O)(CNc1cccc[nH+]1)C(F)(F)F ZINC000271916482 389028206 /nfs/dbraw/zinc/02/82/06/389028206.db2.gz CBWIRAQVDCJLNF-QMMMGPOBSA-N 1 2 220.194 1.807 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC1(C)C ZINC000269747185 389010539 /nfs/dbraw/zinc/01/05/39/389010539.db2.gz AYNQWYSQJSDOPR-MRVPVSSYSA-N 1 2 207.277 1.380 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cccc[nH+]2)[C@H]1OC ZINC000272752300 389034927 /nfs/dbraw/zinc/03/49/27/389034927.db2.gz JZOFGXLEYAADAC-CKYFFXLPSA-N 1 2 222.288 1.686 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c[nH]nn2)CCS1 ZINC000335578225 136111623 /nfs/dbraw/zinc/11/16/23/136111623.db2.gz DZVNMBJULOGJEE-VIFPVBQESA-N 1 2 212.322 1.132 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000335578225 136111624 /nfs/dbraw/zinc/11/16/24/136111624.db2.gz DZVNMBJULOGJEE-VIFPVBQESA-N 1 2 212.322 1.132 20 0 BDADLO CCN(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000376294951 169681256 /nfs/dbraw/zinc/68/12/56/169681256.db2.gz VXIOAQNRDNWIRK-LLVKDONJSA-N 1 2 236.319 1.592 20 0 BDADLO Cc1cc2[nH+]cn(Cc3cn(C)nn3)c2cc1C ZINC000082952311 322825799 /nfs/dbraw/zinc/82/57/99/322825799.db2.gz JIBAEQDKYYNYOJ-UHFFFAOYSA-N 1 2 241.298 1.830 20 0 BDADLO C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000265449757 132181892 /nfs/dbraw/zinc/18/18/92/132181892.db2.gz SUSGLLZIMFLMNP-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1CN(c2cc(NCC3CC3)nc[nH+]2)CCO1 ZINC000265449757 132181896 /nfs/dbraw/zinc/18/18/96/132181896.db2.gz SUSGLLZIMFLMNP-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO OC1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000265402850 132182052 /nfs/dbraw/zinc/18/20/52/132182052.db2.gz ANVSEXDPTVOZEM-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO OC1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000265402850 132182056 /nfs/dbraw/zinc/18/20/56/132182056.db2.gz ANVSEXDPTVOZEM-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO CCN1CCN(c2cc[nH+]c(C3CC3)n2)CC1=O ZINC000273299147 132201686 /nfs/dbraw/zinc/20/16/86/132201686.db2.gz LNWLDTQVYUEGTM-UHFFFAOYSA-N 1 2 246.314 1.023 20 0 BDADLO CC[C@@]1(CO)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000275012819 132204170 /nfs/dbraw/zinc/20/41/70/132204170.db2.gz JSVICJLSMCOUAV-CYBMUJFWSA-N 1 2 235.331 1.774 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000277000397 132206785 /nfs/dbraw/zinc/20/67/85/132206785.db2.gz WYRBURARRPJMNB-GXSJLCMTSA-N 1 2 249.314 1.420 20 0 BDADLO CC1(C)C[C@@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000277494256 132207501 /nfs/dbraw/zinc/20/75/01/132207501.db2.gz QSMBUWKQLUOVNE-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO CC1(C)C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000277494256 132207503 /nfs/dbraw/zinc/20/75/03/132207503.db2.gz QSMBUWKQLUOVNE-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000278944343 132208738 /nfs/dbraw/zinc/20/87/38/132208738.db2.gz UWWSBMMFMYVILO-ZDUSSCGKSA-N 1 2 243.310 1.344 20 0 BDADLO CC1(C)CN(c2cccc[nH+]2)C[C@]2(CCOC2)O1 ZINC000280140006 132210007 /nfs/dbraw/zinc/21/00/07/132210007.db2.gz FCAKUDIAKAKWMF-AWEZNQCLSA-N 1 2 248.326 1.856 20 0 BDADLO CCc1nc(N2CCOC[C@@H]2C2CC2)cc(C)[nH+]1 ZINC000283910575 132213346 /nfs/dbraw/zinc/21/33/46/132213346.db2.gz WPNYRHHJIZWAGO-GFCCVEGCSA-N 1 2 247.342 1.963 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@](C)(F)C1 ZINC000294969506 132220028 /nfs/dbraw/zinc/22/00/28/132220028.db2.gz OGBJGXCSTNZLQW-GFCCVEGCSA-N 1 2 249.293 1.692 20 0 BDADLO C[C@H](O)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000120144161 132223449 /nfs/dbraw/zinc/22/34/49/132223449.db2.gz LXQJTJGHYZMVPY-JQWIXIFHSA-N 1 2 247.342 1.951 20 0 BDADLO Cc1nc(N2CCCC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000341429425 132226524 /nfs/dbraw/zinc/22/65/24/132226524.db2.gz HRLSMGXKBZNKHM-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC(C)(C)C2)[nH+]1 ZINC000341429425 132226526 /nfs/dbraw/zinc/22/65/26/132226526.db2.gz HRLSMGXKBZNKHM-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO C[C@H]1CCN(c2cnccn2)C[C@@H]1n1cc[nH+]c1 ZINC000134138270 132238423 /nfs/dbraw/zinc/23/84/23/132238423.db2.gz YDNXHJSZCKYQEF-RYUDHWBXSA-N 1 2 243.314 1.761 20 0 BDADLO Cc1cc(N2CCC3(CC2)OCCO3)nc[nH+]1 ZINC000096474055 132241988 /nfs/dbraw/zinc/24/19/88/132241988.db2.gz VJHKAUQICZLJJZ-UHFFFAOYSA-N 1 2 235.287 1.128 20 0 BDADLO C[C@H]1OCCN(c2cc(NC3CC3)[nH+]cn2)[C@H]1C ZINC000334056124 132246841 /nfs/dbraw/zinc/24/68/41/132246841.db2.gz VJVHAJFIWVNYLC-VHSXEESVSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@H]1OCCN(c2cc(NC3CC3)nc[nH+]2)[C@H]1C ZINC000334056124 132246843 /nfs/dbraw/zinc/24/68/43/132246843.db2.gz VJVHAJFIWVNYLC-VHSXEESVSA-N 1 2 248.330 1.665 20 0 BDADLO CC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301221001 132251740 /nfs/dbraw/zinc/25/17/40/132251740.db2.gz AFEUBESTAFZSQZ-LBPRGKRZSA-N 1 2 248.330 1.138 20 0 BDADLO C[C@H]1CC[C@H](C(N)=O)CN1c1cccc[nH+]1 ZINC000302655315 132265496 /nfs/dbraw/zinc/26/54/96/132265496.db2.gz KRBVXKZNZWOYKJ-UWVGGRQHSA-N 1 2 219.288 1.172 20 0 BDADLO Cc1cc(N2CCC[C@H](n3cccn3)C2)nc[nH+]1 ZINC000110485449 132267769 /nfs/dbraw/zinc/26/77/69/132267769.db2.gz PQWHHDRGMBTWEJ-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1cc(N2CCOC(C)(C)[C@@H]2C)nc[nH+]1 ZINC000357195280 132272853 /nfs/dbraw/zinc/27/28/53/132272853.db2.gz DKZGBCZHDCWHRH-JTQLQIEISA-N 1 2 221.304 1.789 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@@H](O)C2)[nH+]1 ZINC000357202450 132272862 /nfs/dbraw/zinc/27/28/62/132272862.db2.gz KCXQSHORYYNHJR-KWQFWETISA-N 1 2 246.314 1.473 20 0 BDADLO Cc1cc(N2C[C@@H](C)O[C@]3(CCOC3)C2)nc[nH+]1 ZINC000360247480 132278915 /nfs/dbraw/zinc/27/89/15/132278915.db2.gz BXETZVGNVFAJSM-DGCLKSJQSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N2CCC(C)=C(C)C2)nc(N(C)C)[nH+]1 ZINC000360272408 132279041 /nfs/dbraw/zinc/27/90/41/132279041.db2.gz CBYWIPBRPHGGMO-UHFFFAOYSA-N 1 2 247.346 1.793 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC(C)=C(C)C2)[nH+]1 ZINC000360272408 132279043 /nfs/dbraw/zinc/27/90/43/132279043.db2.gz CBYWIPBRPHGGMO-UHFFFAOYSA-N 1 2 247.346 1.793 20 0 BDADLO CC1=C[C@H](C)CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000362378955 132281239 /nfs/dbraw/zinc/28/12/39/132281239.db2.gz OLSWKQADYUUPTP-VIFPVBQESA-N 1 2 247.346 1.648 20 0 BDADLO CC1=C[C@H](C)CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000362378955 132281237 /nfs/dbraw/zinc/28/12/37/132281237.db2.gz OLSWKQADYUUPTP-VIFPVBQESA-N 1 2 247.346 1.648 20 0 BDADLO Cc1nc(N2CCO[C@H](C3CC3)C2)cc[nH+]1 ZINC000362689111 132281847 /nfs/dbraw/zinc/28/18/47/132281847.db2.gz DGKLUFQQULTOFC-NSHDSACASA-N 1 2 219.288 1.400 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nc(C)cnc1C)CC2 ZINC000368119644 132283090 /nfs/dbraw/zinc/28/30/90/132283090.db2.gz WUGCYIAVPJZRAF-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO c1nc(N2CCO[C@H]3C[C@H]32)cc(NCC2CC2)[nH+]1 ZINC000368645341 132284160 /nfs/dbraw/zinc/28/41/60/132284160.db2.gz RAFCBZHEVORKTD-MNOVXSKESA-N 1 2 246.314 1.276 20 0 BDADLO c1nc(NCC2CC2)cc(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000368645341 132284162 /nfs/dbraw/zinc/28/41/62/132284162.db2.gz RAFCBZHEVORKTD-MNOVXSKESA-N 1 2 246.314 1.276 20 0 BDADLO Cc1ccc(N2CC[N@H+](CCCO)CC2=O)cc1 ZINC000375636074 132288544 /nfs/dbraw/zinc/28/85/44/132288544.db2.gz IYXRPQYLESXMRL-UHFFFAOYSA-N 1 2 248.326 1.026 20 0 BDADLO Cc1ccc(N2CC[N@@H+](CCCO)CC2=O)cc1 ZINC000375636074 132288545 /nfs/dbraw/zinc/28/85/45/132288545.db2.gz IYXRPQYLESXMRL-UHFFFAOYSA-N 1 2 248.326 1.026 20 0 BDADLO Cc1nc(N2CCC(C)(CO)CC2)cc[nH+]1 ZINC000184150732 132291456 /nfs/dbraw/zinc/29/14/56/132291456.db2.gz SBWUJZILNQNMFX-UHFFFAOYSA-N 1 2 221.304 1.384 20 0 BDADLO C[C@H]1OCCN(c2nc[nH+]c(N)c2Cl)[C@@H]1C ZINC000277743376 132306374 /nfs/dbraw/zinc/30/63/74/132306374.db2.gz JGIACTVTHULROK-RNFRBKRXSA-N 1 2 242.710 1.326 20 0 BDADLO Cc1nc(N2CCCC[C@H]2C[C@H](C)O)cc[nH+]1 ZINC000279454785 132307113 /nfs/dbraw/zinc/30/71/13/132307113.db2.gz MGZRWGWIFVIBGC-JQWIXIFHSA-N 1 2 235.331 1.915 20 0 BDADLO Cc1nc(N2CCC(F)(F)[C@@H](CO)C2)cc[nH+]1 ZINC000292187443 132307521 /nfs/dbraw/zinc/30/75/21/132307521.db2.gz BMCQBFQBDNXESI-SECBINFHSA-N 1 2 243.257 1.239 20 0 BDADLO OC[C@@H]1CN(c2cccc[nH+]2)CCC1(F)F ZINC000292372247 132307820 /nfs/dbraw/zinc/30/78/20/132307820.db2.gz POCAKWMFVZFBOL-VIFPVBQESA-N 1 2 228.242 1.536 20 0 BDADLO Cc1cc(N2CCC(F)(F)[C@@H](CO)C2)nc[nH+]1 ZINC000359955519 132311603 /nfs/dbraw/zinc/31/16/03/132311603.db2.gz UCMVTOOZWHECCQ-SECBINFHSA-N 1 2 243.257 1.239 20 0 BDADLO CO[C@@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234760681 132363670 /nfs/dbraw/zinc/36/36/70/132363670.db2.gz XGQYCDRMZMVZAO-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO CO[C@@H]1CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000234760681 132363671 /nfs/dbraw/zinc/36/36/71/132363671.db2.gz XGQYCDRMZMVZAO-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO Cc1c[nH+]c(CN2CC(C)(C)OC[C@H]2C)n1C ZINC000342852486 133602030 /nfs/dbraw/zinc/60/20/30/133602030.db2.gz CZQAJHLUCFJHRP-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2ccon2)ccn1 ZINC000347553787 133840866 /nfs/dbraw/zinc/84/08/66/133840866.db2.gz IJYIVRNNVPMGNR-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000335766660 133897013 /nfs/dbraw/zinc/89/70/13/133897013.db2.gz AZKGSPDOJSQHDU-NSHDSACASA-N 1 2 235.331 1.702 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CCC[C@@H]21 ZINC000335974120 134030300 /nfs/dbraw/zinc/03/03/00/134030300.db2.gz LVYKHFMDTKQNPX-MNOVXSKESA-N 1 2 233.315 1.743 20 0 BDADLO CC(C)[N@H+](CCO)Cc1ncc(Cl)s1 ZINC000352010732 134035417 /nfs/dbraw/zinc/03/54/17/134035417.db2.gz IULCLLCWSOIXKN-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1ncc(Cl)s1 ZINC000352010732 134035418 /nfs/dbraw/zinc/03/54/18/134035418.db2.gz IULCLLCWSOIXKN-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000336014081 134052631 /nfs/dbraw/zinc/05/26/31/134052631.db2.gz YAMZKQVEMUUBSE-LLVKDONJSA-N 1 2 231.303 1.778 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000336014081 134052632 /nfs/dbraw/zinc/05/26/32/134052632.db2.gz YAMZKQVEMUUBSE-LLVKDONJSA-N 1 2 231.303 1.778 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000336019438 134054094 /nfs/dbraw/zinc/05/40/94/134054094.db2.gz DGMAOFIDRXERTP-WPRPVWTQSA-N 1 2 222.292 1.018 20 0 BDADLO O=C(Cc1ccoc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336026220 134057127 /nfs/dbraw/zinc/05/71/27/134057127.db2.gz CGIWLDXEZSCAMY-JTQLQIEISA-N 1 2 245.282 1.219 20 0 BDADLO O=C(Cc1ccoc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336026220 134057128 /nfs/dbraw/zinc/05/71/28/134057128.db2.gz CGIWLDXEZSCAMY-JTQLQIEISA-N 1 2 245.282 1.219 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nn1 ZINC000336039337 134060763 /nfs/dbraw/zinc/06/07/63/134060763.db2.gz IUBNNADGVDAGIA-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nn1 ZINC000336039337 134060764 /nfs/dbraw/zinc/06/07/64/134060764.db2.gz IUBNNADGVDAGIA-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO CC1(C)C[N@H+](Cc2cncc(F)c2)CCO1 ZINC000336045370 134063520 /nfs/dbraw/zinc/06/35/20/134063520.db2.gz CHXLGAGNDTWXBJ-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)C[N@@H+](Cc2cncc(F)c2)CCO1 ZINC000336045370 134063521 /nfs/dbraw/zinc/06/35/21/134063521.db2.gz CHXLGAGNDTWXBJ-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000336065932 134070329 /nfs/dbraw/zinc/07/03/29/134070329.db2.gz QUWVCVJIWCMCHN-UWVGGRQHSA-N 1 2 220.272 1.175 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1[nH+]c2ccc(F)cc2n1C ZINC000336132162 134094441 /nfs/dbraw/zinc/09/44/41/134094441.db2.gz BFQKYZVADHHEDW-WPRPVWTQSA-N 1 2 249.289 1.672 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(O)c1C ZINC000336144072 134101559 /nfs/dbraw/zinc/10/15/59/134101559.db2.gz KSRLBMMVKQLYGG-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(O)c1C ZINC000336144072 134101560 /nfs/dbraw/zinc/10/15/60/134101560.db2.gz KSRLBMMVKQLYGG-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000336144796 134101787 /nfs/dbraw/zinc/10/17/87/134101787.db2.gz GDYMREBXQNSDFC-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000336161298 134111214 /nfs/dbraw/zinc/11/12/14/134111214.db2.gz COFDYHIVXYSCJN-GHMZBOCLSA-N 1 2 243.253 1.436 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000336161298 134111215 /nfs/dbraw/zinc/11/12/15/134111215.db2.gz COFDYHIVXYSCJN-GHMZBOCLSA-N 1 2 243.253 1.436 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CC[C@H](CO)C1 ZINC000336167068 134113269 /nfs/dbraw/zinc/11/32/69/134113269.db2.gz RPWBOLKOEYFKQP-VIFPVBQESA-N 1 2 249.289 1.531 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)c(C)s1 ZINC000336183680 134120653 /nfs/dbraw/zinc/12/06/53/134120653.db2.gz RCKHFEZEIKHAKR-NXEZZACHSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](F)C[C@@H]2CO)c(C)s1 ZINC000336183680 134120654 /nfs/dbraw/zinc/12/06/54/134120654.db2.gz RCKHFEZEIKHAKR-NXEZZACHSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCOCC12CC2 ZINC000336216070 134136984 /nfs/dbraw/zinc/13/69/84/134136984.db2.gz ZSGUXZTYVTZUCQ-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cnccc1C[N@H+]1CCOCC12CC2 ZINC000336216070 134136985 /nfs/dbraw/zinc/13/69/85/134136985.db2.gz ZSGUXZTYVTZUCQ-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO C[C@H]1C[NH+](Cc2ncnn2C)C[C@H](C)S1 ZINC000336218896 134138333 /nfs/dbraw/zinc/13/83/33/134138333.db2.gz XHZDZDAUUODSSX-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO CC[C@H](NC(=O)c1cncs1)c1[nH]cc[nH+]1 ZINC000218079543 134251727 /nfs/dbraw/zinc/25/17/27/134251727.db2.gz UDBZKWMXADDNHX-ZETCQYMHSA-N 1 2 236.300 1.747 20 0 BDADLO C[C@@H]1CN(C)CC[N@H+]1Cc1cccc(O)c1 ZINC000219784664 134290950 /nfs/dbraw/zinc/29/09/50/134290950.db2.gz HKYPEGSLMFUCQW-LLVKDONJSA-N 1 2 220.316 1.528 20 0 BDADLO Cc1ccc(NC(=O)NCC2(C)COC2)c(C)[nH+]1 ZINC000176774318 134294317 /nfs/dbraw/zinc/29/43/17/134294317.db2.gz YSOCAHIQOCOIKW-UHFFFAOYSA-N 1 2 249.314 1.856 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178793170 134311418 /nfs/dbraw/zinc/31/14/18/134311418.db2.gz VKWGXDQGWFBXLZ-LLVKDONJSA-N 1 2 245.282 1.355 20 0 BDADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000179868410 134324387 /nfs/dbraw/zinc/32/43/87/134324387.db2.gz YQPFXILRMXSVOS-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000179868410 134324388 /nfs/dbraw/zinc/32/43/88/134324388.db2.gz YQPFXILRMXSVOS-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccc(O)c1 ZINC000181548255 134337380 /nfs/dbraw/zinc/33/73/80/134337380.db2.gz DTTJBEWKECDZHK-SECBINFHSA-N 1 2 244.298 1.615 20 0 BDADLO CCc1ncnc(N[C@H](C)Cn2cc[nH+]c2)c1F ZINC000223215230 134338055 /nfs/dbraw/zinc/33/80/55/134338055.db2.gz XTKPRVMXMWHSFQ-SECBINFHSA-N 1 2 249.293 1.875 20 0 BDADLO CO[C@@H](C)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000182110318 134341796 /nfs/dbraw/zinc/34/17/96/134341796.db2.gz ONVCDYPEFGHHRV-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000182110318 134341797 /nfs/dbraw/zinc/34/17/97/134341797.db2.gz ONVCDYPEFGHHRV-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO CN(C)c1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000185278339 134375969 /nfs/dbraw/zinc/37/59/69/134375969.db2.gz BMJDFWXXSZHGOW-MRVPVSSYSA-N 1 2 242.348 1.073 20 0 BDADLO CN(C)c1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000185278339 134375970 /nfs/dbraw/zinc/37/59/70/134375970.db2.gz BMJDFWXXSZHGOW-MRVPVSSYSA-N 1 2 242.348 1.073 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccco1)C1CC1 ZINC000227767602 134393382 /nfs/dbraw/zinc/39/33/82/134393382.db2.gz JZCRBHLNMKWAKK-NSHDSACASA-N 1 2 223.272 1.363 20 0 BDADLO CCC(CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152237907 134497973 /nfs/dbraw/zinc/49/79/73/134497973.db2.gz UHVRLGUYRNKJBZ-LBPRGKRZSA-N 1 2 249.358 1.998 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000070651440 135002785 /nfs/dbraw/zinc/00/27/85/135002785.db2.gz GFJYSIDCILEKAM-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc(O)c1 ZINC000070819742 135012752 /nfs/dbraw/zinc/01/27/52/135012752.db2.gz YRUHNYLLGVGDRK-UHFFFAOYSA-N 1 2 217.228 1.045 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250752978 135059110 /nfs/dbraw/zinc/05/91/10/135059110.db2.gz DSIGAUXMJRDKSR-MYJAWHEDSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250752978 135059111 /nfs/dbraw/zinc/05/91/11/135059111.db2.gz DSIGAUXMJRDKSR-MYJAWHEDSA-N 1 2 205.261 1.072 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)CC[C@H]1O ZINC000251672973 135073677 /nfs/dbraw/zinc/07/36/77/135073677.db2.gz MBCPJJFIJRHWHT-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)CC[C@H]1O ZINC000251672973 135073679 /nfs/dbraw/zinc/07/36/79/135073679.db2.gz MBCPJJFIJRHWHT-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)[C@H](C)CO)C(=O)OCC ZINC000252954720 135117810 /nfs/dbraw/zinc/11/78/10/135117810.db2.gz QVXYCQWPPCTHHU-MXWKQRLJSA-N 1 2 231.336 1.325 20 0 BDADLO COC[C@H](C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000087437071 135140356 /nfs/dbraw/zinc/14/03/56/135140356.db2.gz DTNVXCQMWXIOHM-MRVPVSSYSA-N 1 2 223.276 1.275 20 0 BDADLO CCOCc1csc([C@H]2COCC[NH2+]2)n1 ZINC000261544802 135185914 /nfs/dbraw/zinc/18/59/14/135185914.db2.gz JCRCVUOFZBCAJI-SECBINFHSA-N 1 2 228.317 1.341 20 0 BDADLO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164000579 135210271 /nfs/dbraw/zinc/21/02/71/135210271.db2.gz TYKSDQIJMURTFC-ONGXEEELSA-N 1 2 211.309 1.296 20 0 BDADLO Nc1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)s1 ZINC000261593407 135233511 /nfs/dbraw/zinc/23/35/11/135233511.db2.gz WUGLFLSGHVSLBR-JTQLQIEISA-N 1 2 239.344 1.336 20 0 BDADLO Nc1ncc(C[N@H+]2CCOC[C@H]2C2CC2)s1 ZINC000261593407 135233512 /nfs/dbraw/zinc/23/35/12/135233512.db2.gz WUGLFLSGHVSLBR-JTQLQIEISA-N 1 2 239.344 1.336 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@@H](C(N)=O)c1ccccc1 ZINC000342634201 135298214 /nfs/dbraw/zinc/29/82/14/135298214.db2.gz IUBJHIZIYHGVRQ-CYBMUJFWSA-N 1 2 244.294 1.938 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@@H](C(N)=O)c1ccccc1 ZINC000342634201 135298215 /nfs/dbraw/zinc/29/82/15/135298215.db2.gz IUBJHIZIYHGVRQ-CYBMUJFWSA-N 1 2 244.294 1.938 20 0 BDADLO Cc1nnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000342680138 135304992 /nfs/dbraw/zinc/30/49/92/135304992.db2.gz OPSAVIATBNDIPL-LLVKDONJSA-N 1 2 246.270 1.431 20 0 BDADLO Cc1c[nH+]c(CN2CC[C@](C)(F)C2)n1C ZINC000342780853 135317430 /nfs/dbraw/zinc/31/74/30/135317430.db2.gz MBMIJAZJPJKUMK-NSHDSACASA-N 1 2 211.284 1.662 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C)O[C@H](C)C2)n1C ZINC000342784688 135318122 /nfs/dbraw/zinc/31/81/22/135318122.db2.gz VMCHEBJLTHSVHU-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H]3CCC[C@H]32)n1C ZINC000342791649 135319434 /nfs/dbraw/zinc/31/94/34/135319434.db2.gz OTIVGFYJNMCBIL-GHMZBOCLSA-N 1 2 205.305 1.713 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@H]2CCSC2)n1C ZINC000342791643 135319506 /nfs/dbraw/zinc/31/95/06/135319506.db2.gz OQHVZUBUDNTZRD-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H]3CCC[C@@H]32)n1C ZINC000342791655 135319875 /nfs/dbraw/zinc/31/98/75/135319875.db2.gz OTIVGFYJNMCBIL-MNOVXSKESA-N 1 2 205.305 1.713 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H]3CCC[C@H]32)n1C ZINC000342791657 135319963 /nfs/dbraw/zinc/31/99/63/135319963.db2.gz OTIVGFYJNMCBIL-WDEREUQCSA-N 1 2 205.305 1.713 20 0 BDADLO Cc1c[nH+]c(CN2CCOCC3(CC3)C2)n1C ZINC000342799563 135320880 /nfs/dbraw/zinc/32/08/80/135320880.db2.gz KPEWCBQJHROPND-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC3(CC3)C2)n1C ZINC000342799563 135320882 /nfs/dbraw/zinc/32/08/82/135320882.db2.gz KPEWCBQJHROPND-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC3(CC3)C2)n1C ZINC000342799563 135320883 /nfs/dbraw/zinc/32/08/83/135320883.db2.gz KPEWCBQJHROPND-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO CN(CC1CCCC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263021652 135327150 /nfs/dbraw/zinc/32/71/50/135327150.db2.gz QYCVBBMYCLHQLA-SNVBAGLBSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H]3CCCC[C@H]32)n1C ZINC000342774464 135327620 /nfs/dbraw/zinc/32/76/20/135327620.db2.gz DHSUZLCJLVCYQZ-CHWSQXEVSA-N 1 2 249.358 1.872 20 0 BDADLO CCN(CCC(=O)OC)Cc1[nH+]cc(C)n1C ZINC000342774255 135327774 /nfs/dbraw/zinc/32/77/74/135327774.db2.gz DAMBJXPEBICJEH-UHFFFAOYSA-N 1 2 239.319 1.114 20 0 BDADLO NC(=O)c1cccc(C[N@@H+]2CCOCC23CC3)c1 ZINC000334277189 135333350 /nfs/dbraw/zinc/33/33/50/135333350.db2.gz DGRHFFAMGLYNRD-UHFFFAOYSA-N 1 2 246.310 1.935 20 0 BDADLO NC(=O)c1cccc(C[N@H+]2CCOCC23CC3)c1 ZINC000334277189 135333352 /nfs/dbraw/zinc/33/33/52/135333352.db2.gz DGRHFFAMGLYNRD-UHFFFAOYSA-N 1 2 246.310 1.935 20 0 BDADLO Cc1ocnc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334280143 135338725 /nfs/dbraw/zinc/33/87/25/135338725.db2.gz GOWQLOZQLZJUPG-VIFPVBQESA-N 1 2 246.270 1.683 20 0 BDADLO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ccncc2)no1 ZINC000263220968 135339890 /nfs/dbraw/zinc/33/98/90/135339890.db2.gz LVQURLLQONUDKE-SCZZXKLOSA-N 1 2 246.270 1.181 20 0 BDADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000263224176 135341176 /nfs/dbraw/zinc/34/11/76/135341176.db2.gz MODCUOKAAIUACF-GUBZILKMSA-N 1 2 244.285 1.242 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263247495 135342656 /nfs/dbraw/zinc/34/26/56/135342656.db2.gz PLXAAJYYRGSZMH-PSASIEDQSA-N 1 2 246.301 1.679 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000343144825 135360333 /nfs/dbraw/zinc/36/03/33/135360333.db2.gz WUOCDZQLYVOWJW-JTQLQIEISA-N 1 2 232.287 1.338 20 0 BDADLO CC(C)c1nc(NCCC2(O)CCC2)cc[nH+]1 ZINC000343157360 135363214 /nfs/dbraw/zinc/36/32/14/135363214.db2.gz HFUOUYWGFFMXTC-UHFFFAOYSA-N 1 2 235.331 1.739 20 0 BDADLO Cc1ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cn1 ZINC000334357664 135370165 /nfs/dbraw/zinc/37/01/65/135370165.db2.gz QNINBTCEMMSLQR-BETUJISGSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000334359558 135371410 /nfs/dbraw/zinc/37/14/10/135371410.db2.gz WJWOKRWBAOCGLE-KOLCDFICSA-N 1 2 246.310 1.756 20 0 BDADLO Cc1nc(N2CCn3c[nH+]cc3C2)sc1C ZINC000334389594 135383157 /nfs/dbraw/zinc/38/31/57/135383157.db2.gz RWLHEBOJTZKROA-UHFFFAOYSA-N 1 2 234.328 1.977 20 0 BDADLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCCNC1=O ZINC000334395405 135386874 /nfs/dbraw/zinc/38/68/74/135386874.db2.gz BJAHWGBZCZCEDK-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncsc1C[N@H+](C)[C@@H]1CCCNC1=O ZINC000334395405 135386875 /nfs/dbraw/zinc/38/68/75/135386875.db2.gz BJAHWGBZCZCEDK-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)Nc1cccc(NCc2c[nH+]cn2C)c1 ZINC000078779884 135395772 /nfs/dbraw/zinc/39/57/72/135395772.db2.gz UQTYYIRJEFMWRF-UHFFFAOYSA-N 1 2 244.298 1.991 20 0 BDADLO O=C(Nc1ccccn1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334448157 135415489 /nfs/dbraw/zinc/41/54/89/135415489.db2.gz ISCREOPQHNYWGU-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO c1cc(NCC[C@@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000343801166 135697244 /nfs/dbraw/zinc/69/72/44/135697244.db2.gz RDHRTCLLKBWUIB-SNVBAGLBSA-N 1 2 233.315 1.614 20 0 BDADLO c1c[nH+]c(COCc2nnc3n2CCCCC3)[nH]1 ZINC000346747899 135968196 /nfs/dbraw/zinc/96/81/96/135968196.db2.gz SWDGSZQAGGRUOI-UHFFFAOYSA-N 1 2 247.302 1.444 20 0 BDADLO Cc1nccc(CNc2cc[nH+]c(C(C)C)n2)n1 ZINC000346783011 135973196 /nfs/dbraw/zinc/97/31/96/135973196.db2.gz VGWSIWYTQQVPOD-UHFFFAOYSA-N 1 2 243.314 1.732 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C(F)F)n2)CCCO1 ZINC000347698625 136006977 /nfs/dbraw/zinc/00/69/77/136006977.db2.gz ITURRAMWWPTNST-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CCCO1 ZINC000347698625 136006978 /nfs/dbraw/zinc/00/69/78/136006978.db2.gz ITURRAMWWPTNST-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C(F)F)n2)CCCO1 ZINC000347698624 136007213 /nfs/dbraw/zinc/00/72/13/136007213.db2.gz ITURRAMWWPTNST-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CCCO1 ZINC000347698624 136007214 /nfs/dbraw/zinc/00/72/14/136007214.db2.gz ITURRAMWWPTNST-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO Cc1cccc(C(N)=O)c1NCc1c[nH+]cn1C ZINC000347765509 136008471 /nfs/dbraw/zinc/00/84/71/136008471.db2.gz LBZTTZPZAAEXAA-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000347742500 136010964 /nfs/dbraw/zinc/01/09/64/136010964.db2.gz YVUSFEUAQDRBJM-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCC(=O)CCC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000347742500 136010965 /nfs/dbraw/zinc/01/09/65/136010965.db2.gz YVUSFEUAQDRBJM-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO Cc1c([C@H](C)[NH2+]Cc2ncc(C)cn2)cnn1C ZINC000348011382 136021082 /nfs/dbraw/zinc/02/10/82/136021082.db2.gz QFWTWBLDSHJLQF-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO Cc1ccnc(C[N@H+]2CCSC[C@H]2C)n1 ZINC000335312417 136030491 /nfs/dbraw/zinc/03/04/91/136030491.db2.gz WPDNTXALHPTTIV-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000335312417 136030492 /nfs/dbraw/zinc/03/04/92/136030492.db2.gz WPDNTXALHPTTIV-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(-c2ccccn2)n1 ZINC000348127572 136033230 /nfs/dbraw/zinc/03/32/30/136033230.db2.gz VOFQHIUTBPFVLU-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2nc(C)no2)ccn1 ZINC000348110440 136037519 /nfs/dbraw/zinc/03/75/19/136037519.db2.gz NANZFEXQFVNLGK-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000348159707 136041309 /nfs/dbraw/zinc/04/13/09/136041309.db2.gz NDQJEOBLNQLCOT-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000348159707 136041310 /nfs/dbraw/zinc/04/13/10/136041310.db2.gz NDQJEOBLNQLCOT-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO COC[C@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335339157 136045362 /nfs/dbraw/zinc/04/53/62/136045362.db2.gz JPIZMILGGHPSOZ-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO COC[C@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335339157 136045363 /nfs/dbraw/zinc/04/53/63/136045363.db2.gz JPIZMILGGHPSOZ-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cn1 ZINC000348223324 136047691 /nfs/dbraw/zinc/04/76/91/136047691.db2.gz GDBMHUVABLKSFJ-RISCZKNCSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cn1 ZINC000348223324 136047692 /nfs/dbraw/zinc/04/76/92/136047692.db2.gz GDBMHUVABLKSFJ-RISCZKNCSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000348223326 136047887 /nfs/dbraw/zinc/04/78/87/136047887.db2.gz GDBMHUVABLKSFJ-SMDDNHRTSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000348223326 136047888 /nfs/dbraw/zinc/04/78/88/136047888.db2.gz GDBMHUVABLKSFJ-SMDDNHRTSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@H]1C(F)F ZINC000348190258 136048796 /nfs/dbraw/zinc/04/87/96/136048796.db2.gz URSKKLMQVJUOIS-HTQZYQBOSA-N 1 2 201.220 1.461 20 0 BDADLO CC(C)=CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335323414 136050826 /nfs/dbraw/zinc/05/08/26/136050826.db2.gz SUTLMMJTJMITLZ-SNVBAGLBSA-N 1 2 248.330 1.532 20 0 BDADLO CC(C)=CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335323414 136050827 /nfs/dbraw/zinc/05/08/27/136050827.db2.gz SUTLMMJTJMITLZ-SNVBAGLBSA-N 1 2 248.330 1.532 20 0 BDADLO CSC[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335323417 136051123 /nfs/dbraw/zinc/05/11/23/136051123.db2.gz SYMRRCNFRQYUQE-SECBINFHSA-N 1 2 239.344 1.224 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000348231555 136060700 /nfs/dbraw/zinc/06/07/00/136060700.db2.gz OSNIEHRZNXJIMR-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@](C)(OC)C1 ZINC000348231555 136060701 /nfs/dbraw/zinc/06/07/01/136060701.db2.gz OSNIEHRZNXJIMR-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccnc2)nn1C ZINC000348305799 136065755 /nfs/dbraw/zinc/06/57/55/136065755.db2.gz AMLYJRXROUBNGJ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccnc2)nn1C ZINC000348305799 136065756 /nfs/dbraw/zinc/06/57/56/136065756.db2.gz AMLYJRXROUBNGJ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](O)C2(C)C)cc[nH+]1 ZINC000335347592 136067010 /nfs/dbraw/zinc/06/70/10/136067010.db2.gz HFTYQWIUUKRLKK-LLVKDONJSA-N 1 2 249.314 1.189 20 0 BDADLO Cc1cccnc1C[N@@H+](C)Cc1ccnn1C ZINC000348368909 136073192 /nfs/dbraw/zinc/07/31/92/136073192.db2.gz KRUCEERSXQTWKX-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccnc1C[N@H+](C)Cc1ccnn1C ZINC000348368909 136073193 /nfs/dbraw/zinc/07/31/93/136073193.db2.gz KRUCEERSXQTWKX-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000335394757 136091972 /nfs/dbraw/zinc/09/19/72/136091972.db2.gz ITBQIFGHMQPKQO-ONGXEEELSA-N 1 2 235.287 1.111 20 0 BDADLO Cc1[nH]c(C(=O)NC2CC(C(F)(F)F)C2)c[nH+]1 ZINC000335400381 136094103 /nfs/dbraw/zinc/09/41/03/136094103.db2.gz PTHYJCKTBUSGAF-UHFFFAOYSA-N 1 2 247.220 1.789 20 0 BDADLO Cc1nc(N2CC[C@H](F)C2)c(C)c(C)[nH+]1 ZINC000335401817 136094697 /nfs/dbraw/zinc/09/46/97/136094697.db2.gz VGPGBHOJZLYPHB-JTQLQIEISA-N 1 2 209.268 1.950 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547655 136096905 /nfs/dbraw/zinc/09/69/05/136096905.db2.gz JBJLZOPCPQBKNB-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CC2(CCC2)C1 ZINC000335548397 136097222 /nfs/dbraw/zinc/09/72/22/136097222.db2.gz OMSMKBIWNDOYRV-UHFFFAOYSA-N 1 2 233.315 1.915 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCC(=O)C2)c[nH+]1 ZINC000335554464 136099049 /nfs/dbraw/zinc/09/90/49/136099049.db2.gz VMEXFMYCIJPGCS-NSHDSACASA-N 1 2 246.310 1.684 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@H](O)C[C@@H]2C)nn1C ZINC000335556667 136099598 /nfs/dbraw/zinc/09/95/98/136099598.db2.gz BHYOUYPHYMYNER-IONNQARKSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)nn1C ZINC000335556667 136099599 /nfs/dbraw/zinc/09/95/99/136099599.db2.gz BHYOUYPHYMYNER-IONNQARKSA-N 1 2 243.738 1.337 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCCCO1 ZINC000335556645 136099658 /nfs/dbraw/zinc/09/96/58/136099658.db2.gz AXMWXCVGJMTMPH-NSHDSACASA-N 1 2 249.314 1.390 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348576186 136099881 /nfs/dbraw/zinc/09/98/81/136099881.db2.gz IYFLYSCGMVRFCC-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348576186 136099882 /nfs/dbraw/zinc/09/98/82/136099882.db2.gz IYFLYSCGMVRFCC-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335583337 136101237 /nfs/dbraw/zinc/10/12/37/136101237.db2.gz FBDZXYNXFYYCTA-UWVGGRQHSA-N 1 2 238.360 1.549 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335583337 136101238 /nfs/dbraw/zinc/10/12/38/136101238.db2.gz FBDZXYNXFYYCTA-UWVGGRQHSA-N 1 2 238.360 1.549 20 0 BDADLO O=C1N=NC2C[N@H+](CCC3=CCCCC3)CCN12 ZINC000335583759 136101462 /nfs/dbraw/zinc/10/14/62/136101462.db2.gz DIFIJOIZDSVIGI-UHFFFAOYSA-N 1 2 248.330 1.690 20 0 BDADLO O=C1N=NC2C[N@@H+](CCC3=CCCCC3)CCN12 ZINC000335583759 136101463 /nfs/dbraw/zinc/10/14/63/136101463.db2.gz DIFIJOIZDSVIGI-UHFFFAOYSA-N 1 2 248.330 1.690 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CCC1=CCCCC1)C2 ZINC000335583759 136101464 /nfs/dbraw/zinc/10/14/64/136101464.db2.gz DIFIJOIZDSVIGI-UHFFFAOYSA-N 1 2 248.330 1.690 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CCC1=CCCCC1)C2 ZINC000335583759 136101465 /nfs/dbraw/zinc/10/14/65/136101465.db2.gz DIFIJOIZDSVIGI-UHFFFAOYSA-N 1 2 248.330 1.690 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)C(F)(F)C1 ZINC000335589682 136103229 /nfs/dbraw/zinc/10/32/29/136103229.db2.gz IOEUVWZABKBDFR-UHFFFAOYSA-N 1 2 237.200 1.506 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592965 136104016 /nfs/dbraw/zinc/10/40/16/136104016.db2.gz YBFMVDAFERRRQO-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592965 136104017 /nfs/dbraw/zinc/10/40/17/136104017.db2.gz YBFMVDAFERRRQO-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn[nH]2)CCS1 ZINC000335578225 136111621 /nfs/dbraw/zinc/11/16/21/136111621.db2.gz DZVNMBJULOGJEE-VIFPVBQESA-N 1 2 212.322 1.132 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000335578225 136111622 /nfs/dbraw/zinc/11/16/22/136111622.db2.gz DZVNMBJULOGJEE-VIFPVBQESA-N 1 2 212.322 1.132 20 0 BDADLO Cc1nc(CC[NH2+][C@]2(C)CCOC2=O)cs1 ZINC000289763494 397752645 /nfs/dbraw/zinc/75/26/45/397752645.db2.gz ZJAYVHXORBHMFM-LLVKDONJSA-N 1 2 240.328 1.289 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368456643 397783329 /nfs/dbraw/zinc/78/33/29/397783329.db2.gz BTUSIUFLQVXXMT-SNVBAGLBSA-N 1 2 235.331 1.992 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000368456643 397783332 /nfs/dbraw/zinc/78/33/32/397783332.db2.gz BTUSIUFLQVXXMT-SNVBAGLBSA-N 1 2 235.331 1.992 20 0 BDADLO C[N@H+](CCOc1ccccc1)Cc1cnc[nH]1 ZINC000178854518 397849323 /nfs/dbraw/zinc/84/93/23/397849323.db2.gz ZDASSKBKCDTGTI-UHFFFAOYSA-N 1 2 231.299 1.921 20 0 BDADLO C[N@@H+](CCOc1ccccc1)Cc1cnc[nH]1 ZINC000178854518 397849324 /nfs/dbraw/zinc/84/93/24/397849324.db2.gz ZDASSKBKCDTGTI-UHFFFAOYSA-N 1 2 231.299 1.921 20 0 BDADLO C[N@H+](Cc1nccs1)Cc1ccc(N)nc1 ZINC000387756690 397859559 /nfs/dbraw/zinc/85/95/59/397859559.db2.gz WCVADWOKZJIIFB-UHFFFAOYSA-N 1 2 234.328 1.583 20 0 BDADLO C[N@@H+](Cc1nccs1)Cc1ccc(N)nc1 ZINC000387756690 397859562 /nfs/dbraw/zinc/85/95/62/397859562.db2.gz WCVADWOKZJIIFB-UHFFFAOYSA-N 1 2 234.328 1.583 20 0 BDADLO CCCc1nc(C[NH2+]C2(C(N)=O)CC2)cs1 ZINC000183816108 397867563 /nfs/dbraw/zinc/86/75/63/397867563.db2.gz OSTSFKPGTOQZQX-UHFFFAOYSA-N 1 2 239.344 1.203 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1cccs1 ZINC000188428868 397882906 /nfs/dbraw/zinc/88/29/06/397882906.db2.gz SZXIVSNZPJPXKG-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO FC(F)(F)Cn1nnc(C[NH+]2CCCCC2)n1 ZINC000440492453 397928150 /nfs/dbraw/zinc/92/81/50/397928150.db2.gz UDARQLPGULDEGR-UHFFFAOYSA-N 1 2 249.240 1.221 20 0 BDADLO CC[C@H](F)C[N@H+](CC)Cc1cn(C)nn1 ZINC000440526607 397929528 /nfs/dbraw/zinc/92/95/28/397929528.db2.gz YDJZSWNHCDWJGN-VIFPVBQESA-N 1 2 214.288 1.385 20 0 BDADLO CC[C@H](F)C[N@@H+](CC)Cc1cn(C)nn1 ZINC000440526607 397929531 /nfs/dbraw/zinc/92/95/31/397929531.db2.gz YDJZSWNHCDWJGN-VIFPVBQESA-N 1 2 214.288 1.385 20 0 BDADLO Cc1ccnc(NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000265578131 397934118 /nfs/dbraw/zinc/93/41/18/397934118.db2.gz VWVFROJFEVLZJV-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ccc(C)nn2)CCO1 ZINC000414442297 397941958 /nfs/dbraw/zinc/94/19/58/397941958.db2.gz XOZTVTRAXSWLLM-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ccc(C)nn2)CCO1 ZINC000414442297 397941969 /nfs/dbraw/zinc/94/19/69/397941969.db2.gz XOZTVTRAXSWLLM-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO [NH3+]C[C@@H]1CC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000382408628 397946607 /nfs/dbraw/zinc/94/66/07/397946607.db2.gz CHXRFUYHAJNOPD-APPZFPTMSA-N 1 2 238.360 1.377 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000269150300 397956248 /nfs/dbraw/zinc/95/62/48/397956248.db2.gz NEKLNVRMSGNSGW-VHSXEESVSA-N 1 2 235.287 1.560 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649570982 397960895 /nfs/dbraw/zinc/96/08/95/397960895.db2.gz VKOLMCCGGHZHOZ-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649570982 397960897 /nfs/dbraw/zinc/96/08/97/397960897.db2.gz VKOLMCCGGHZHOZ-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO Cc1cc(N2C[C@@H](C)OC(C)(C)C2)nc[nH+]1 ZINC000110289785 397903266 /nfs/dbraw/zinc/90/32/66/397903266.db2.gz DZSSVUZJLXNKGZ-SNVBAGLBSA-N 1 2 221.304 1.789 20 0 BDADLO CC(C)c1nc(NCCn2cccn2)cc[nH+]1 ZINC000110258601 397903670 /nfs/dbraw/zinc/90/36/70/397903670.db2.gz JDYYNTDMYCVAIK-UHFFFAOYSA-N 1 2 231.303 1.909 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CCCC1 ZINC000649531078 397922172 /nfs/dbraw/zinc/92/21/72/397922172.db2.gz XOTKSOIMWRTTDF-STQMWFEESA-N 1 2 247.342 1.826 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000355785595 397923017 /nfs/dbraw/zinc/92/30/17/397923017.db2.gz ABQFUNZGSLDVDA-BXKDBHETSA-N 1 2 236.315 1.812 20 0 BDADLO COc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccn1 ZINC000372312860 398001167 /nfs/dbraw/zinc/00/11/67/398001167.db2.gz DEGFWKZSPQPLHI-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccn1 ZINC000372312860 398001170 /nfs/dbraw/zinc/00/11/70/398001170.db2.gz DEGFWKZSPQPLHI-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO CCc1cc(NCCCC2(O)CCC2)nc[nH+]1 ZINC000643196227 398004069 /nfs/dbraw/zinc/00/40/69/398004069.db2.gz NTNLKBVGETVMQJ-UHFFFAOYSA-N 1 2 235.331 1.568 20 0 BDADLO CCc1ccncc1NCc1c[nH+]cn1C ZINC000650242981 398004325 /nfs/dbraw/zinc/00/43/25/398004325.db2.gz FVXCVKKKFJCUHH-UHFFFAOYSA-N 1 2 216.288 1.990 20 0 BDADLO CCc1cc[nH+]cc1NCc1cnn(C)c1 ZINC000650242576 398004394 /nfs/dbraw/zinc/00/43/94/398004394.db2.gz PHUFCFBIUHGLFP-UHFFFAOYSA-N 1 2 216.288 1.990 20 0 BDADLO COCc1cc[nH+]c(NCc2c(C)cnn2C)c1 ZINC000650243147 398005364 /nfs/dbraw/zinc/00/53/64/398005364.db2.gz LTEOHBIWKFELHL-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccn(C)n1 ZINC000649627533 398008863 /nfs/dbraw/zinc/00/88/63/398008863.db2.gz LBIJHTSNUPPKGR-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO C[C@H](CC(=O)NC1CCOCC1)n1cc[nH+]c1 ZINC000649632251 398014645 /nfs/dbraw/zinc/01/46/45/398014645.db2.gz CBNHBSJBSGODLS-SNVBAGLBSA-N 1 2 237.303 1.129 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C=CCCC1 ZINC000354807950 398047883 /nfs/dbraw/zinc/04/78/83/398047883.db2.gz GXFPXBALZBUXNY-JTQLQIEISA-N 1 2 219.288 1.567 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000047461750 398028687 /nfs/dbraw/zinc/02/86/87/398028687.db2.gz WMWWPHNQBZQCPY-CYBMUJFWSA-N 1 2 248.326 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000047461750 398028688 /nfs/dbraw/zinc/02/86/88/398028688.db2.gz WMWWPHNQBZQCPY-CYBMUJFWSA-N 1 2 248.326 1.396 20 0 BDADLO C[C@@H](CC(=O)Nc1cnoc1)n1cc[nH+]c1 ZINC000649668055 398030872 /nfs/dbraw/zinc/03/08/72/398030872.db2.gz IGBOYCVUFZXPJW-QMMMGPOBSA-N 1 2 220.232 1.461 20 0 BDADLO Cc1noc(C[NH+]2CCC(C3(O)CC3)CC2)n1 ZINC000649670490 398031759 /nfs/dbraw/zinc/03/17/59/398031759.db2.gz NPBRUSMNRLHVIA-UHFFFAOYSA-N 1 2 237.303 1.115 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CF)CCC1 ZINC000583703142 398038376 /nfs/dbraw/zinc/03/83/76/398038376.db2.gz ODBKKUSZUVZACT-SECBINFHSA-N 1 2 239.294 1.597 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(CF)CCC1 ZINC000583703142 398038379 /nfs/dbraw/zinc/03/83/79/398038379.db2.gz ODBKKUSZUVZACT-SECBINFHSA-N 1 2 239.294 1.597 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000649591234 397978420 /nfs/dbraw/zinc/97/84/20/397978420.db2.gz RAEGJBWXNJVCMR-HGNGGELXSA-N 1 2 241.360 1.844 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000649591234 397978424 /nfs/dbraw/zinc/97/84/24/397978424.db2.gz RAEGJBWXNJVCMR-HGNGGELXSA-N 1 2 241.360 1.844 20 0 BDADLO CC(C)c1nc(N2CC[C@H](CC(N)=O)C2)cc[nH+]1 ZINC000367927483 397978874 /nfs/dbraw/zinc/97/88/74/397978874.db2.gz OTOZEGPRAWEUQV-SNVBAGLBSA-N 1 2 248.330 1.302 20 0 BDADLO COCC1=CC[N@H+](Cc2cc3n(n2)CCC3)CC1 ZINC000649588581 397979644 /nfs/dbraw/zinc/97/96/44/397979644.db2.gz SIBRXFYUTFBBGS-UHFFFAOYSA-N 1 2 247.342 1.608 20 0 BDADLO COCC1=CC[N@@H+](Cc2cc3n(n2)CCC3)CC1 ZINC000649588581 397979647 /nfs/dbraw/zinc/97/96/47/397979647.db2.gz SIBRXFYUTFBBGS-UHFFFAOYSA-N 1 2 247.342 1.608 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000272628017 397981442 /nfs/dbraw/zinc/98/14/42/397981442.db2.gz VVHCRBPWFUZONK-NSHDSACASA-N 1 2 223.320 1.421 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000272628017 397981444 /nfs/dbraw/zinc/98/14/44/397981444.db2.gz VVHCRBPWFUZONK-NSHDSACASA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)SCCN1CC[N@H+](CCO)C[C@@H]1C ZINC000452134506 397985589 /nfs/dbraw/zinc/98/55/89/397985589.db2.gz UOVPHFKVBDDDCK-LBPRGKRZSA-N 1 2 246.420 1.126 20 0 BDADLO CC(C)SCCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000452134506 397985594 /nfs/dbraw/zinc/98/55/94/397985594.db2.gz UOVPHFKVBDDDCK-LBPRGKRZSA-N 1 2 246.420 1.126 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)c2ccccc2F)C[C@@H]1O ZINC000388653028 397987846 /nfs/dbraw/zinc/98/78/46/397987846.db2.gz SAVQPHIOOLJQNY-CABZTGNLSA-N 1 2 237.274 1.321 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)c2ccccc2F)C[C@@H]1O ZINC000388653028 397987850 /nfs/dbraw/zinc/98/78/50/397987850.db2.gz SAVQPHIOOLJQNY-CABZTGNLSA-N 1 2 237.274 1.321 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCCC[C@H]2C(F)F)N1 ZINC000649600433 397988561 /nfs/dbraw/zinc/98/85/61/397988561.db2.gz IJUMLCLTTMJETF-IUCAKERBSA-N 1 2 232.274 1.385 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCCC[C@H]2C(F)F)N1 ZINC000649600433 397988562 /nfs/dbraw/zinc/98/85/62/397988562.db2.gz IJUMLCLTTMJETF-IUCAKERBSA-N 1 2 232.274 1.385 20 0 BDADLO CCOCC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000649695423 398043995 /nfs/dbraw/zinc/04/39/95/398043995.db2.gz UXBXAEYKVAUDTQ-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO CCOCC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000649695423 398043998 /nfs/dbraw/zinc/04/39/98/398043998.db2.gz UXBXAEYKVAUDTQ-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649718082 398059400 /nfs/dbraw/zinc/05/94/00/398059400.db2.gz RPFDMAKFJKYJTM-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649718082 398059402 /nfs/dbraw/zinc/05/94/02/398059402.db2.gz RPFDMAKFJKYJTM-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO C[C@@H]([NH2+]Cc1nccs1)C(=O)NC(C)(C)C ZINC000156962928 398092283 /nfs/dbraw/zinc/09/22/83/398092283.db2.gz ARORBOQJJIMMBN-MRVPVSSYSA-N 1 2 241.360 1.536 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@H](CC)CO1 ZINC000649719134 398061618 /nfs/dbraw/zinc/06/16/18/398061618.db2.gz MDTLDLUAAHXJGO-VXGBXAGGSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](CC)CO1 ZINC000649719134 398061620 /nfs/dbraw/zinc/06/16/20/398061620.db2.gz MDTLDLUAAHXJGO-VXGBXAGGSA-N 1 2 223.320 1.799 20 0 BDADLO CCc1cc(N[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000052005940 398068269 /nfs/dbraw/zinc/06/82/69/398068269.db2.gz KYRPHDGXJXKIMU-QWRGUYRKSA-N 1 2 221.304 1.754 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2C)[C@H](C)CO1 ZINC000649736235 398077863 /nfs/dbraw/zinc/07/78/63/398077863.db2.gz YCGYBZIBPFCWPE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2C)[C@H](C)CO1 ZINC000649736235 398077865 /nfs/dbraw/zinc/07/78/65/398077865.db2.gz YCGYBZIBPFCWPE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[N@H+](Cc1ncccn1)[C@@H]1CCCOC1 ZINC000649754047 398084222 /nfs/dbraw/zinc/08/42/22/398084222.db2.gz AULSDRHBZJXRBX-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CC[N@@H+](Cc1ncccn1)[C@@H]1CCCOC1 ZINC000649754047 398084223 /nfs/dbraw/zinc/08/42/23/398084223.db2.gz AULSDRHBZJXRBX-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccccc1 ZINC000116285428 398090140 /nfs/dbraw/zinc/09/01/40/398090140.db2.gz UTQKXYNGFNGDOP-STQMWFEESA-N 1 2 249.310 1.449 20 0 BDADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccccc1 ZINC000116285428 398090142 /nfs/dbraw/zinc/09/01/42/398090142.db2.gz UTQKXYNGFNGDOP-STQMWFEESA-N 1 2 249.310 1.449 20 0 BDADLO Cc1cccnc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736338 398096040 /nfs/dbraw/zinc/09/60/40/398096040.db2.gz KKGFCZDDAZLABF-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1cccnc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736338 398096042 /nfs/dbraw/zinc/09/60/42/398096042.db2.gz KKGFCZDDAZLABF-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCc1cscn1 ZINC000582826292 398051259 /nfs/dbraw/zinc/05/12/59/398051259.db2.gz FZTTZHJXZMXEJS-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCc1cscn1 ZINC000582826292 398051263 /nfs/dbraw/zinc/05/12/63/398051263.db2.gz FZTTZHJXZMXEJS-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC(C)(C)OC[C@H]1CC ZINC000649714657 398056902 /nfs/dbraw/zinc/05/69/02/398056902.db2.gz ISRFOMOHVKNXPN-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000649714657 398056903 /nfs/dbraw/zinc/05/69/03/398056903.db2.gz ISRFOMOHVKNXPN-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cn(C)nn1 ZINC000649717138 398058745 /nfs/dbraw/zinc/05/87/45/398058745.db2.gz XKRREHMPKIDWEX-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cn(C)nn1 ZINC000649717138 398058749 /nfs/dbraw/zinc/05/87/49/398058749.db2.gz XKRREHMPKIDWEX-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CCCF)CC2 ZINC000613400856 398098362 /nfs/dbraw/zinc/09/83/62/398098362.db2.gz DLDJGYZSDDKSLJ-UHFFFAOYSA-N 1 2 225.267 1.283 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CSC1CC1 ZINC000294335379 398125463 /nfs/dbraw/zinc/12/54/63/398125463.db2.gz FDDUTWFGGMTMRK-SECBINFHSA-N 1 2 239.344 1.283 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637196659 398125776 /nfs/dbraw/zinc/12/57/76/398125776.db2.gz WNZFZQDAKFDSFH-VWYCJHECSA-N 1 2 248.330 1.153 20 0 BDADLO COC[C@H]1CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000294456854 398127127 /nfs/dbraw/zinc/12/71/27/398127127.db2.gz UQRFRQRDCDFOFS-LLVKDONJSA-N 1 2 245.282 1.195 20 0 BDADLO CC(C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649209322 398129545 /nfs/dbraw/zinc/12/95/45/398129545.db2.gz OVVRYBXPXZXVFJ-GFCCVEGCSA-N 1 2 249.358 1.950 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccn1 ZINC000246392669 398121949 /nfs/dbraw/zinc/12/19/49/398121949.db2.gz KSKZZNDRLSANFV-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccn1 ZINC000246392669 398121953 /nfs/dbraw/zinc/12/19/53/398121953.db2.gz KSKZZNDRLSANFV-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO CC(C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000364299543 167037285 /nfs/dbraw/zinc/03/72/85/167037285.db2.gz GZBMMVUFZUDPPM-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO C[N@@H+](Cc1nnc2ccccn21)C[C@H]1CCCO1 ZINC000674305718 487557725 /nfs/dbraw/zinc/55/77/25/487557725.db2.gz POHPPALDZIABGC-LLVKDONJSA-N 1 2 246.314 1.340 20 0 BDADLO C[N@H+](Cc1nnc2ccccn21)C[C@H]1CCCO1 ZINC000674305718 487557726 /nfs/dbraw/zinc/55/77/26/487557726.db2.gz POHPPALDZIABGC-LLVKDONJSA-N 1 2 246.314 1.340 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(CCO)cn1 ZINC000685580682 487558315 /nfs/dbraw/zinc/55/83/15/487558315.db2.gz PVEQJNBYBGEXCX-UHFFFAOYSA-N 1 2 217.272 1.170 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](CF)C1 ZINC000334830973 487563351 /nfs/dbraw/zinc/56/33/51/487563351.db2.gz VIBCNGDCYNHIGK-GHMZBOCLSA-N 1 2 224.279 1.813 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](CF)C1 ZINC000334830973 487563357 /nfs/dbraw/zinc/56/33/57/487563357.db2.gz VIBCNGDCYNHIGK-GHMZBOCLSA-N 1 2 224.279 1.813 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](CF)C1 ZINC000334830975 487563390 /nfs/dbraw/zinc/56/33/90/487563390.db2.gz VIBCNGDCYNHIGK-QWRGUYRKSA-N 1 2 224.279 1.813 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](CF)C1 ZINC000334830975 487563395 /nfs/dbraw/zinc/56/33/95/487563395.db2.gz VIBCNGDCYNHIGK-QWRGUYRKSA-N 1 2 224.279 1.813 20 0 BDADLO O=C(CCc1cccnc1)Nc1cc[nH+]cc1O ZINC000530880297 322897192 /nfs/dbraw/zinc/89/71/92/322897192.db2.gz QDSNUKNURGQRHI-UHFFFAOYSA-N 1 2 243.266 1.175 20 0 BDADLO COCC[C@H](COC)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000685664086 487572638 /nfs/dbraw/zinc/57/26/38/487572638.db2.gz JVYIYBRQBJIAAN-GXSJLCMTSA-N 1 2 241.335 1.420 20 0 BDADLO Cc1ocnc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000685689491 487573164 /nfs/dbraw/zinc/57/31/64/487573164.db2.gz MLSHISQGKHUKBV-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(C2CCC2)no1 ZINC000685681495 487573490 /nfs/dbraw/zinc/57/34/90/487573490.db2.gz KXWJVAJBVPHHOA-UHFFFAOYSA-N 1 2 218.260 1.661 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccco1 ZINC000527506492 487574499 /nfs/dbraw/zinc/57/44/99/487574499.db2.gz NQNNPCYDEDBTQA-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccco1 ZINC000527506492 487574502 /nfs/dbraw/zinc/57/45/02/487574502.db2.gz NQNNPCYDEDBTQA-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CC(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000041534158 322907776 /nfs/dbraw/zinc/90/77/76/322907776.db2.gz OBKOKFWRPARQDW-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO Cc1ncc(CNc2nc[nH+]c3c2OCCN3)o1 ZINC000665736434 487581931 /nfs/dbraw/zinc/58/19/31/487581931.db2.gz YLWDPJCHFACWAG-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BDADLO Cc1ncc(CNc2[nH+]cnc3c2OCCN3)o1 ZINC000665736434 487581936 /nfs/dbraw/zinc/58/19/36/487581936.db2.gz YLWDPJCHFACWAG-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1=CCCCC1 ZINC000556408562 322911062 /nfs/dbraw/zinc/91/10/62/322911062.db2.gz PKAQVUDVDDJCJB-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO CC(C)OCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367631821 167246117 /nfs/dbraw/zinc/24/61/17/167246117.db2.gz FUHGOCFTVRCVFO-NSHDSACASA-N 1 2 223.320 1.802 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000685843233 487586708 /nfs/dbraw/zinc/58/67/08/487586708.db2.gz VJSXDXZBYYEPTL-VIFPVBQESA-N 1 2 245.273 1.922 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000685843233 487586710 /nfs/dbraw/zinc/58/67/10/487586710.db2.gz VJSXDXZBYYEPTL-VIFPVBQESA-N 1 2 245.273 1.922 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000685843233 487586711 /nfs/dbraw/zinc/58/67/11/487586711.db2.gz VJSXDXZBYYEPTL-VIFPVBQESA-N 1 2 245.273 1.922 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000685843233 487586713 /nfs/dbraw/zinc/58/67/13/487586713.db2.gz VJSXDXZBYYEPTL-VIFPVBQESA-N 1 2 245.273 1.922 20 0 BDADLO NC(=O)C[C@@H]1CCC[N@H+](CC(F)F)CC1 ZINC000671506145 487598507 /nfs/dbraw/zinc/59/85/07/487598507.db2.gz RCYQWBUWTYBTDV-MRVPVSSYSA-N 1 2 220.263 1.229 20 0 BDADLO NC(=O)C[C@@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000671506145 487598512 /nfs/dbraw/zinc/59/85/12/487598512.db2.gz RCYQWBUWTYBTDV-MRVPVSSYSA-N 1 2 220.263 1.229 20 0 BDADLO C[C@H](O)[C@H](C)n1cc[nH+]c1-c1ccncc1 ZINC000531039005 487600514 /nfs/dbraw/zinc/60/05/14/487600514.db2.gz NJBQCCFNJVQXCO-UWVGGRQHSA-N 1 2 217.272 1.887 20 0 BDADLO CC(C)S(=O)(=O)CCCOCc1[nH]cc[nH+]1 ZINC000272027408 167318085 /nfs/dbraw/zinc/31/80/85/167318085.db2.gz ITQVEHVFDOMEFM-UHFFFAOYSA-N 1 2 246.332 1.140 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660727333 409667429 /nfs/dbraw/zinc/66/74/29/409667429.db2.gz DUMFCVDFKLDEJO-JGPRNRPPSA-N 1 2 243.372 1.151 20 0 BDADLO CCS(=O)(=O)C1C[NH+]([C@@H](C)CC(C)C)C1 ZINC000660728352 409670116 /nfs/dbraw/zinc/67/01/16/409670116.db2.gz QMMOIAOCUSRLJT-JTQLQIEISA-N 1 2 233.377 1.540 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@](C)(C(F)F)C1 ZINC000662369349 409679871 /nfs/dbraw/zinc/67/98/71/409679871.db2.gz QLYSNTGHGSTPPH-LLVKDONJSA-N 1 2 245.273 1.276 20 0 BDADLO CC(C)(C(=O)NCCCC1CC1)c1c[nH]c[nH+]1 ZINC000655239185 409683499 /nfs/dbraw/zinc/68/34/99/409683499.db2.gz LRYRHGBKXOVHQM-UHFFFAOYSA-N 1 2 235.331 1.994 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000655336438 409912908 /nfs/dbraw/zinc/91/29/08/409912908.db2.gz ZGPQDNLLSDHXKZ-UHFFFAOYSA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848346 409858527 /nfs/dbraw/zinc/85/85/27/409858527.db2.gz GZTAZMJVFCWOCF-QMMMGPOBSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848346 409858532 /nfs/dbraw/zinc/85/85/32/409858532.db2.gz GZTAZMJVFCWOCF-QMMMGPOBSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@H](COCC1CC1)[NH2+]Cc1ccn[nH]1 ZINC000651982248 410123440 /nfs/dbraw/zinc/12/34/40/410123440.db2.gz RKJOUMQQZBYTFD-SECBINFHSA-N 1 2 209.293 1.314 20 0 BDADLO CO[C@@](C)(C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000655401973 410205138 /nfs/dbraw/zinc/20/51/38/410205138.db2.gz NYWRSSHOEYOYPX-PRHODGIISA-N 1 2 237.303 1.402 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1[nH]cc[nH+]1 ZINC000655401995 410205899 /nfs/dbraw/zinc/20/58/99/410205899.db2.gz RNVGVJGBKYYRRC-KYXWUPHJSA-N 1 2 235.287 1.154 20 0 BDADLO CCC(=O)C1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000655402002 410206234 /nfs/dbraw/zinc/20/62/34/410206234.db2.gz VITPHRCLIFRCTE-MRVPVSSYSA-N 1 2 235.287 1.346 20 0 BDADLO NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000078448493 410279959 /nfs/dbraw/zinc/27/99/59/410279959.db2.gz GMYMDGVAIKWWSO-UHFFFAOYSA-N 1 2 224.651 1.156 20 0 BDADLO CC[C@@H](C)[N@H+](CC)Cc1noc(CCOC)n1 ZINC000661103974 410223859 /nfs/dbraw/zinc/22/38/59/410223859.db2.gz IVRMQJPWUMCQIW-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CC[C@@H](C)[N@@H+](CC)Cc1noc(CCOC)n1 ZINC000661103974 410223863 /nfs/dbraw/zinc/22/38/63/410223863.db2.gz IVRMQJPWUMCQIW-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000650676689 410301887 /nfs/dbraw/zinc/30/18/87/410301887.db2.gz RDNMIVARTWTWHY-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1[nH]c2nc[nH+]c(N3CCC34COC4)c2c1C ZINC000663972134 410412117 /nfs/dbraw/zinc/41/21/17/410412117.db2.gz AAEQVAISQURARX-UHFFFAOYSA-N 1 2 244.298 1.554 20 0 BDADLO CC/C=C\CNC(=O)CCCn1cc[nH+]c1 ZINC000650825608 410528349 /nfs/dbraw/zinc/52/83/49/410528349.db2.gz GWDVGGKEGCVGFN-ARJAWSKDSA-N 1 2 221.304 1.746 20 0 BDADLO CN1C[C@H](CNc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000664459915 410586871 /nfs/dbraw/zinc/58/68/71/410586871.db2.gz DGQVDIGNWPVNGX-VIFPVBQESA-N 1 2 246.314 1.244 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCCC1 ZINC000650982368 410671293 /nfs/dbraw/zinc/67/12/93/410671293.db2.gz SJGAVKQHDQAIHG-UHFFFAOYSA-N 1 2 247.342 1.774 20 0 BDADLO CCc1nnc(C[N@H+](C)C2CC(O)C2)s1 ZINC000680580997 487617873 /nfs/dbraw/zinc/61/78/73/487617873.db2.gz LDXCKGKGJZMRIG-UHFFFAOYSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2CC(O)C2)s1 ZINC000680580997 487617874 /nfs/dbraw/zinc/61/78/74/487617874.db2.gz LDXCKGKGJZMRIG-UHFFFAOYSA-N 1 2 227.333 1.056 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@](C)(CO)C2)c(C)c(C)[nH+]1 ZINC000664599377 410611749 /nfs/dbraw/zinc/61/17/49/410611749.db2.gz WHACIYYVRXHISO-XPTSAGLGSA-N 1 2 249.358 1.857 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000661421085 410640130 /nfs/dbraw/zinc/64/01/30/410640130.db2.gz AOXNGWNSZAEQLQ-RKDXNWHRSA-N 1 2 241.360 1.708 20 0 BDADLO CC1(C)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651165664 410839860 /nfs/dbraw/zinc/83/98/60/410839860.db2.gz OZVLGSOBTNCVFX-LLVKDONJSA-N 1 2 247.342 1.677 20 0 BDADLO CC(C)(C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651169708 410842766 /nfs/dbraw/zinc/84/27/66/410842766.db2.gz RGENNUFYMGSZMH-UHFFFAOYSA-N 1 2 249.358 1.924 20 0 BDADLO CC(C)(F)CNc1nc[nH+]c2c1OCCN2 ZINC000631405506 410854785 /nfs/dbraw/zinc/85/47/85/410854785.db2.gz ARUJIVDQYIBRQQ-UHFFFAOYSA-N 1 2 226.255 1.441 20 0 BDADLO CC(C)(F)CNc1[nH+]cnc2c1OCCN2 ZINC000631405506 410854795 /nfs/dbraw/zinc/85/47/95/410854795.db2.gz ARUJIVDQYIBRQQ-UHFFFAOYSA-N 1 2 226.255 1.441 20 0 BDADLO CC(C)COC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000340281817 167022385 /nfs/dbraw/zinc/02/23/85/167022385.db2.gz DBAXEPAJHKYOHD-UHFFFAOYSA-N 1 2 238.335 1.442 20 0 BDADLO CC(C)COC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000340281817 167022389 /nfs/dbraw/zinc/02/23/89/167022389.db2.gz DBAXEPAJHKYOHD-UHFFFAOYSA-N 1 2 238.335 1.442 20 0 BDADLO CC(C)COC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000340281817 167022392 /nfs/dbraw/zinc/02/23/92/167022392.db2.gz DBAXEPAJHKYOHD-UHFFFAOYSA-N 1 2 238.335 1.442 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000267020697 167049792 /nfs/dbraw/zinc/04/97/92/167049792.db2.gz BEMWTHZDVHSOLI-NSHDSACASA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000267020697 167049793 /nfs/dbraw/zinc/04/97/93/167049793.db2.gz BEMWTHZDVHSOLI-NSHDSACASA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122312066 167051921 /nfs/dbraw/zinc/05/19/21/167051921.db2.gz VBILIQAIWKMIHT-UHFFFAOYSA-N 1 2 247.342 1.571 20 0 BDADLO CC(C)NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122312066 167051924 /nfs/dbraw/zinc/05/19/24/167051924.db2.gz VBILIQAIWKMIHT-UHFFFAOYSA-N 1 2 247.342 1.571 20 0 BDADLO CC(C)NC(=O)CSc1[nH+]cc2ccccn21 ZINC000036855076 167063290 /nfs/dbraw/zinc/06/32/90/167063290.db2.gz VNTPUGMMJGGLOI-UHFFFAOYSA-N 1 2 249.339 1.951 20 0 BDADLO CC(C)OCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367613860 167180802 /nfs/dbraw/zinc/18/08/02/167180802.db2.gz ZHPCDFZECKMYKU-SNVBAGLBSA-N 1 2 237.303 1.498 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264983444 167353190 /nfs/dbraw/zinc/35/31/90/167353190.db2.gz IWYRQXISJVWRMT-GHMZBOCLSA-N 1 2 223.320 1.680 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000353901979 167359701 /nfs/dbraw/zinc/35/97/01/167359701.db2.gz MXYHUTZKCMCDTR-JTQLQIEISA-N 1 2 223.320 1.751 20 0 BDADLO CCN(CCOC)c1cc(CO)cc[nH+]1 ZINC000042494372 411012587 /nfs/dbraw/zinc/01/25/87/411012587.db2.gz YSSAXYSIEWUHNA-UHFFFAOYSA-N 1 2 210.277 1.047 20 0 BDADLO OC1(C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000651379378 410962512 /nfs/dbraw/zinc/96/25/12/410962512.db2.gz BQIUHNUXYAZHGA-UHFFFAOYSA-N 1 2 218.300 1.823 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)[C@@H](O)C(F)F ZINC000651398792 410980618 /nfs/dbraw/zinc/98/06/18/410980618.db2.gz ZXLYGFBDMCVRRQ-WHFVKQHSSA-N 1 2 247.289 1.773 20 0 BDADLO CN(C[C@H]1CCCCO1)c1cc(CO)cc[nH+]1 ZINC000042465343 411006447 /nfs/dbraw/zinc/00/64/47/411006447.db2.gz IKEWZYZHOYNMJF-GFCCVEGCSA-N 1 2 236.315 1.579 20 0 BDADLO OC[C@@H](CCF)Nc1cc[nH+]c2ccncc12 ZINC000651463421 411047885 /nfs/dbraw/zinc/04/78/85/411047885.db2.gz SWUQJXOULIXCEJ-SECBINFHSA-N 1 2 235.262 1.184 20 0 BDADLO C[C@@H](CCO)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000651471414 411052738 /nfs/dbraw/zinc/05/27/38/411052738.db2.gz SZJPPEAOFHVNOU-VIFPVBQESA-N 1 2 221.304 1.561 20 0 BDADLO C[C@@H](CC(=O)N1CC(F)(F)C1)n1cc[nH+]c1 ZINC000651689851 411136310 /nfs/dbraw/zinc/13/63/10/411136310.db2.gz FYEJLQDNPXHLEF-QMMMGPOBSA-N 1 2 229.230 1.312 20 0 BDADLO C[NH+]1CCC(CNc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000044526993 411137120 /nfs/dbraw/zinc/13/71/20/411137120.db2.gz NPCOSPPIXULTAF-UHFFFAOYSA-N 1 2 249.314 1.534 20 0 BDADLO CN(C[C@H]1CCCOC1)c1cc(CO)cc[nH+]1 ZINC000111167679 411146493 /nfs/dbraw/zinc/14/64/93/411146493.db2.gz ZXRCMRATPDUTRB-GFCCVEGCSA-N 1 2 236.315 1.437 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2n[nH]cc2C)[C@H](C)CO1 ZINC000651931811 411150636 /nfs/dbraw/zinc/15/06/36/411150636.db2.gz DBHRCHDUXVSERL-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)[C@H](C)CO1 ZINC000651931811 411150637 /nfs/dbraw/zinc/15/06/37/411150637.db2.gz DBHRCHDUXVSERL-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2[nH]ncc2C)[C@H](C)CO1 ZINC000651931811 411150638 /nfs/dbraw/zinc/15/06/38/411150638.db2.gz DBHRCHDUXVSERL-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2[nH]ncc2C)[C@H](C)CO1 ZINC000651931811 411150639 /nfs/dbraw/zinc/15/06/39/411150639.db2.gz DBHRCHDUXVSERL-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2CC)[C@@H](C)CO1 ZINC000651932123 411150778 /nfs/dbraw/zinc/15/07/78/411150778.db2.gz LUFCVNBCEUCKJH-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2CC)[C@@H](C)CO1 ZINC000651932123 411150779 /nfs/dbraw/zinc/15/07/79/411150779.db2.gz LUFCVNBCEUCKJH-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1c(Cl)cnn1C ZINC000652049695 411095952 /nfs/dbraw/zinc/09/59/52/411095952.db2.gz LXDLZTVDXOKQQJ-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1c(Cl)cnn1C ZINC000652049695 411095954 /nfs/dbraw/zinc/09/59/54/411095954.db2.gz LXDLZTVDXOKQQJ-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CC1(C)C[N@H+](Cc2ccco2)[C@@H]2COC[C@H]2O1 ZINC000652065226 411101960 /nfs/dbraw/zinc/10/19/60/411101960.db2.gz QRNMNBWWXVZXJD-VXGBXAGGSA-N 1 2 237.299 1.658 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccco2)[C@@H]2COC[C@H]2O1 ZINC000652065226 411101963 /nfs/dbraw/zinc/10/19/63/411101963.db2.gz QRNMNBWWXVZXJD-VXGBXAGGSA-N 1 2 237.299 1.658 20 0 BDADLO COCc1cc[nH+]c(NC2CC(OC)C2)c1 ZINC000652068064 411104676 /nfs/dbraw/zinc/10/46/76/411104676.db2.gz QBYIEUIEXQDGIE-UHFFFAOYSA-N 1 2 222.288 1.817 20 0 BDADLO COCc1cc[nH+]c(NCC2=CCCOC2)c1 ZINC000652068609 411104917 /nfs/dbraw/zinc/10/49/17/411104917.db2.gz JAPMHIIBVCLNQJ-UHFFFAOYSA-N 1 2 234.299 1.987 20 0 BDADLO C[C@@H]1CCCCN1C(=O)N1CCn2c[nH+]cc2C1 ZINC000655594773 411170259 /nfs/dbraw/zinc/17/02/59/411170259.db2.gz ODJPZRMCDXDZSM-LLVKDONJSA-N 1 2 248.330 1.693 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cc[nH]n1 ZINC000656108612 411179759 /nfs/dbraw/zinc/17/97/59/411179759.db2.gz DUAZNMPVRCLMLO-UHFFFAOYSA-N 1 2 219.248 1.129 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCO[C@H](C)C1 ZINC000656107135 411179837 /nfs/dbraw/zinc/17/98/37/411179837.db2.gz YKFMFBFOFXEUFJ-MRVPVSSYSA-N 1 2 223.276 1.019 20 0 BDADLO CCC[N@H+](Cc1noc(CCOC)n1)C(C)C ZINC000653799037 411183616 /nfs/dbraw/zinc/18/36/16/411183616.db2.gz IACXJHAYGCEFFL-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCC[N@@H+](Cc1noc(CCOC)n1)C(C)C ZINC000653799037 411183617 /nfs/dbraw/zinc/18/36/17/411183617.db2.gz IACXJHAYGCEFFL-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCC[N@H+](Cc1noc(COC)n1)C(C)C ZINC000653798885 411183701 /nfs/dbraw/zinc/18/37/01/411183701.db2.gz SUILJEZVOMIPSG-UHFFFAOYSA-N 1 2 227.308 1.836 20 0 BDADLO CCC[N@@H+](Cc1noc(COC)n1)C(C)C ZINC000653798885 411183702 /nfs/dbraw/zinc/18/37/02/411183702.db2.gz SUILJEZVOMIPSG-UHFFFAOYSA-N 1 2 227.308 1.836 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@H]1C ZINC000656133818 411184727 /nfs/dbraw/zinc/18/47/27/411184727.db2.gz VXBRHGGPHKWXLM-MRVPVSSYSA-N 1 2 207.277 1.782 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC(C)(C)OC ZINC000656146694 411186337 /nfs/dbraw/zinc/18/63/37/411186337.db2.gz KJEZGGBUEDFAIM-UHFFFAOYSA-N 1 2 239.319 1.655 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@](C)(O)C1 ZINC000656152218 411186774 /nfs/dbraw/zinc/18/67/74/411186774.db2.gz XEMVXOZRAIFJDP-LBPRGKRZSA-N 1 2 237.303 1.145 20 0 BDADLO CC[C@H]1CN(c2nc[nH+]c(C)c2OC)C[C@@H]1O ZINC000656150248 411186789 /nfs/dbraw/zinc/18/67/89/411186789.db2.gz QQBZSGSJOJMRFA-UWVGGRQHSA-N 1 2 237.303 1.001 20 0 BDADLO CCc1nnc(CNc2nc[nH+]c(C)c2OC)o1 ZINC000656151295 411187140 /nfs/dbraw/zinc/18/71/40/411187140.db2.gz VHQSCDWKJKOQPY-UHFFFAOYSA-N 1 2 249.274 1.351 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H]3COC[C@]3(C)C2)no1 ZINC000661698954 411189870 /nfs/dbraw/zinc/18/98/70/411189870.db2.gz BVSJIKYWUFYGLL-PEXQALLHSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H]3COC[C@]3(C)C2)no1 ZINC000661698954 411189874 /nfs/dbraw/zinc/18/98/74/411189874.db2.gz BVSJIKYWUFYGLL-PEXQALLHSA-N 1 2 237.303 1.407 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC1(O)CCC1 ZINC000656159308 411190545 /nfs/dbraw/zinc/19/05/45/411190545.db2.gz ODEASYQOSMNDCK-UHFFFAOYSA-N 1 2 237.303 1.145 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CC[C@H](O)C1 ZINC000656175583 411193581 /nfs/dbraw/zinc/19/35/81/411193581.db2.gz ILCRSWGWKCDQGN-UWVGGRQHSA-N 1 2 237.303 1.367 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](Cc1cnn(C)c1)C2 ZINC000653834292 411196455 /nfs/dbraw/zinc/19/64/55/411196455.db2.gz RPKQOEPYUZENGX-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO COc1ccc2c(c1)C[N@H+](Cc1cnn(C)c1)C2 ZINC000653834292 411196457 /nfs/dbraw/zinc/19/64/57/411196457.db2.gz RPKQOEPYUZENGX-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H](C)CCO ZINC000656192690 411198498 /nfs/dbraw/zinc/19/84/98/411198498.db2.gz TWSCDJHWICXFDW-VIFPVBQESA-N 1 2 239.319 1.614 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](C)CCCO ZINC000656193280 411200760 /nfs/dbraw/zinc/20/07/60/411200760.db2.gz DGNGASQGKLIWMZ-SECBINFHSA-N 1 2 239.319 1.614 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cnc(C)o1 ZINC000656199855 411204085 /nfs/dbraw/zinc/20/40/85/411204085.db2.gz ADRMNIMPXZEEGQ-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000335245919 411206513 /nfs/dbraw/zinc/20/65/13/411206513.db2.gz ACGZMKBHDFPJBA-CMPLNLGQSA-N 1 2 226.320 1.114 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000335245919 411206516 /nfs/dbraw/zinc/20/65/16/411206516.db2.gz ACGZMKBHDFPJBA-CMPLNLGQSA-N 1 2 226.320 1.114 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC12CC2 ZINC000652465856 411248365 /nfs/dbraw/zinc/24/83/65/411248365.db2.gz IDAROXRECHAIEK-LLVKDONJSA-N 1 2 245.326 1.431 20 0 BDADLO COCC1(CNc2nc[nH+]c(C)c2OC)CC1 ZINC000656213295 411211468 /nfs/dbraw/zinc/21/14/68/411211468.db2.gz SEGFSPNJVSGPED-UHFFFAOYSA-N 1 2 237.303 1.632 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1csnn1 ZINC000658037480 411213559 /nfs/dbraw/zinc/21/35/59/411213559.db2.gz WVMXAGCGPOHDJT-DTWKUNHWSA-N 1 2 249.343 1.920 20 0 BDADLO CCCc1noc(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000653897145 411214125 /nfs/dbraw/zinc/21/41/25/411214125.db2.gz JJTUDPPDAUURBK-VIFPVBQESA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1noc(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000653897145 411214128 /nfs/dbraw/zinc/21/41/28/411214128.db2.gz JJTUDPPDAUURBK-VIFPVBQESA-N 1 2 239.319 1.367 20 0 BDADLO C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000652365064 411218353 /nfs/dbraw/zinc/21/83/53/411218353.db2.gz SNZGMWIMRZAKMW-QWRGUYRKSA-N 1 2 247.342 1.629 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCNC2=O)c(C)s1 ZINC000658053113 411220098 /nfs/dbraw/zinc/22/00/98/411220098.db2.gz SRHNTPWQPHOBKB-MUWHJKNJSA-N 1 2 239.344 1.299 20 0 BDADLO C[C@H]1C[C@H](NC(=O)NCCC2CC2)c2[nH+]ccn21 ZINC000652393304 411224834 /nfs/dbraw/zinc/22/48/34/411224834.db2.gz QIRBVLDQVCFRHJ-ONGXEEELSA-N 1 2 248.330 1.988 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)sn1 ZINC000660093403 411229633 /nfs/dbraw/zinc/22/96/33/411229633.db2.gz YSDUULDIHLAGJS-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)sn1 ZINC000660093403 411229635 /nfs/dbraw/zinc/22/96/35/411229635.db2.gz YSDUULDIHLAGJS-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO CCCCS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660105545 411232140 /nfs/dbraw/zinc/23/21/40/411232140.db2.gz ZNJICZHXSITQED-SECBINFHSA-N 1 2 245.348 1.201 20 0 BDADLO CC(C)(NC(=O)C[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000652411375 411232243 /nfs/dbraw/zinc/23/22/43/411232243.db2.gz DVLAZMSAGCXQKT-VIFPVBQESA-N 1 2 237.303 1.188 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C3CCC3)CC2)c[nH+]1 ZINC000652868386 411232484 /nfs/dbraw/zinc/23/24/84/411232484.db2.gz AWRPNBUXJLXGFF-UHFFFAOYSA-N 1 2 219.288 1.781 20 0 BDADLO CC(C)(NC(=O)COC(F)F)c1[nH]cc[nH+]1 ZINC000652412735 411234177 /nfs/dbraw/zinc/23/41/77/411234177.db2.gz WQOAUMWJMOZMNK-UHFFFAOYSA-N 1 2 233.218 1.000 20 0 BDADLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C)c1 ZINC000422976399 411236140 /nfs/dbraw/zinc/23/61/40/411236140.db2.gz DDAXGRRASUPLMD-CHWSQXEVSA-N 1 2 248.326 1.701 20 0 BDADLO CC(=O)N1CCc2cc(-c3[nH+]ccn3C)ccc21 ZINC000656371568 411236469 /nfs/dbraw/zinc/23/64/69/411236469.db2.gz IOCXPZVKEMGKMD-UHFFFAOYSA-N 1 2 241.294 1.996 20 0 BDADLO CCOC(=O)[C@H]1[NH2+]CC[C@@H]1Nc1cccc(C)c1 ZINC000422976404 411236792 /nfs/dbraw/zinc/23/67/92/411236792.db2.gz DDAXGRRASUPLMD-STQMWFEESA-N 1 2 248.326 1.701 20 0 BDADLO Cn1cc[nH+]c1-c1ccc2c(c1)C[C@H](CO)O2 ZINC000656371658 411237627 /nfs/dbraw/zinc/23/76/27/411237627.db2.gz MVCLMXFYNZSADM-LLVKDONJSA-N 1 2 230.267 1.383 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cncc(F)c1 ZINC000652430693 411241777 /nfs/dbraw/zinc/24/17/77/411241777.db2.gz ZERPYGYCJCITCW-VIFPVBQESA-N 1 2 248.261 1.295 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2CCC(C)(O)CC2)[nH]1 ZINC000660002105 411167111 /nfs/dbraw/zinc/16/71/11/411167111.db2.gz JBBXOGWQDYGVEW-VIFPVBQESA-N 1 2 238.335 1.275 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649207985 411264951 /nfs/dbraw/zinc/26/49/51/411264951.db2.gz JDWFFFUCBQTXKJ-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000658157619 411271059 /nfs/dbraw/zinc/27/10/59/411271059.db2.gz SKFHOEVYWCPKND-AEJSXWLSSA-N 1 2 236.319 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)C2CCCC2)[nH]1 ZINC000658158179 411271125 /nfs/dbraw/zinc/27/11/25/411271125.db2.gz HAUKUHWZAIQYLN-SECBINFHSA-N 1 2 238.335 1.619 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658168146 411278078 /nfs/dbraw/zinc/27/80/78/411278078.db2.gz HEJSOSSODMCAIB-OIBJUYFYSA-N 1 2 245.273 1.793 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC12CCCC2 ZINC000652576396 411279231 /nfs/dbraw/zinc/27/92/31/411279231.db2.gz KVZCIGUFJLXWSY-UHFFFAOYSA-N 1 2 233.315 1.818 20 0 BDADLO O=C1CC[C@H](Nc2cccc[nH+]2)CCN1 ZINC000396666633 411293206 /nfs/dbraw/zinc/29/32/06/411293206.db2.gz NOSMUEHFGCCXFJ-VIFPVBQESA-N 1 2 205.261 1.162 20 0 BDADLO CC[C@H](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000656542271 411294715 /nfs/dbraw/zinc/29/47/15/411294715.db2.gz IXULGKQZCJVCQB-NSHDSACASA-N 1 2 238.335 1.619 20 0 BDADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)ncn1 ZINC000649769627 411295343 /nfs/dbraw/zinc/29/53/43/411295343.db2.gz VDWCYRRYQZBWOF-JTQLQIEISA-N 1 2 245.286 1.571 20 0 BDADLO Cc1cn2cc(NC(=O)c3nc[nH]n3)ccc2[nH+]1 ZINC000358453648 411310899 /nfs/dbraw/zinc/31/08/99/411310899.db2.gz VYZVNDJXXLNSKN-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO CCc1nn(C)cc1C[NH+]1CC(C)(OC)C1 ZINC000656622494 411311036 /nfs/dbraw/zinc/31/10/36/411311036.db2.gz HPVZGBHBLIOPFU-UHFFFAOYSA-N 1 2 223.320 1.203 20 0 BDADLO COC1(C)CN(Cc2c[nH+]c3ccccn23)C1 ZINC000656622522 411311576 /nfs/dbraw/zinc/31/15/76/411311576.db2.gz NKWQVEFVUNIGAW-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO Cc1cc([NH2+]CC[C@@H](C)O)ccc1-n1cnnn1 ZINC000656640093 411313653 /nfs/dbraw/zinc/31/36/53/411313653.db2.gz BAGWKKIBYUFRGO-SNVBAGLBSA-N 1 2 247.302 1.154 20 0 BDADLO Cc1nc(N2CCC[C@@H]2CCC(C)C)nc(N)[nH+]1 ZINC000631170917 411319924 /nfs/dbraw/zinc/31/99/24/411319924.db2.gz SAFOEXQQIXVWOC-LLVKDONJSA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H]2CCC(C)C)[nH+]1 ZINC000631170917 411319928 /nfs/dbraw/zinc/31/99/28/411319928.db2.gz SAFOEXQQIXVWOC-LLVKDONJSA-N 1 2 249.362 1.998 20 0 BDADLO CN(CC1(O)CCCC1)c1cccc[nH+]1 ZINC000163004680 411319991 /nfs/dbraw/zinc/31/99/91/411319991.db2.gz ULUIFIQOUQDNDY-UHFFFAOYSA-N 1 2 206.289 1.823 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnns2)C[C@H](C)O1 ZINC000661853728 411320383 /nfs/dbraw/zinc/32/03/83/411320383.db2.gz WMJZTEABFORCCM-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnns2)C[C@H](C)O1 ZINC000661853728 411320387 /nfs/dbraw/zinc/32/03/87/411320387.db2.gz WMJZTEABFORCCM-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO C[C@@H](NC(=O)N[C@H](C)C1CC1)c1[nH+]ccn1C ZINC000660252142 411321643 /nfs/dbraw/zinc/32/16/43/411321643.db2.gz KGEQGANAMUHZAB-RKDXNWHRSA-N 1 2 236.319 1.579 20 0 BDADLO CCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000656442926 411250951 /nfs/dbraw/zinc/25/09/51/411250951.db2.gz JYXLWSLOEPMOFZ-UHFFFAOYSA-N 1 2 205.265 1.323 20 0 BDADLO CCn1ccnc1C[NH+]1CC2(CC(F)C2)C1 ZINC000656694499 411333020 /nfs/dbraw/zinc/33/30/20/411333020.db2.gz RUZXRHSCNNBSCI-UHFFFAOYSA-N 1 2 223.295 1.837 20 0 BDADLO CCn1cc[nH+]c1CN1CC2(CC(F)C2)C1 ZINC000656694499 411333022 /nfs/dbraw/zinc/33/30/22/411333022.db2.gz RUZXRHSCNNBSCI-UHFFFAOYSA-N 1 2 223.295 1.837 20 0 BDADLO CCCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000656444692 411251930 /nfs/dbraw/zinc/25/19/30/411251930.db2.gz VXCNXTRUTZYVMZ-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000656444692 411251933 /nfs/dbraw/zinc/25/19/33/411251933.db2.gz VXCNXTRUTZYVMZ-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO FC(F)(F)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000656445171 411253204 /nfs/dbraw/zinc/25/32/04/411253204.db2.gz WGEPIEJUTCLMDA-UHFFFAOYSA-N 1 2 231.181 1.085 20 0 BDADLO c1coc([C@@H]2COCC[N@H+]2CCc2cn[nH]c2)c1 ZINC000656444895 411253888 /nfs/dbraw/zinc/25/38/88/411253888.db2.gz PQBDLCOQOJCNJU-LBPRGKRZSA-N 1 2 247.298 1.619 20 0 BDADLO c1coc([C@@H]2COCC[N@@H+]2CCc2cn[nH]c2)c1 ZINC000656444895 411253890 /nfs/dbraw/zinc/25/38/90/411253890.db2.gz PQBDLCOQOJCNJU-LBPRGKRZSA-N 1 2 247.298 1.619 20 0 BDADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1ncc[nH]1 ZINC000660141863 411256333 /nfs/dbraw/zinc/25/63/33/411256333.db2.gz JZIRKYCPLQCYRS-QMMMGPOBSA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1ncc[nH]1 ZINC000660141863 411256338 /nfs/dbraw/zinc/25/63/38/411256338.db2.gz JZIRKYCPLQCYRS-QMMMGPOBSA-N 1 2 231.246 1.266 20 0 BDADLO CC(C)OCC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142991 411258450 /nfs/dbraw/zinc/25/84/50/411258450.db2.gz NWQFWKLCMGICAL-LLVKDONJSA-N 1 2 241.335 1.018 20 0 BDADLO CC(C)OCC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142991 411258452 /nfs/dbraw/zinc/25/84/52/411258452.db2.gz NWQFWKLCMGICAL-LLVKDONJSA-N 1 2 241.335 1.018 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CC[C@H](C)SC2 ZINC000653476510 411326848 /nfs/dbraw/zinc/32/68/48/411326848.db2.gz IRQYCKLHBCVRAF-CABZTGNLSA-N 1 2 242.388 1.829 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CC[C@H](C)SC2 ZINC000653476511 411326891 /nfs/dbraw/zinc/32/68/91/411326891.db2.gz IRQYCKLHBCVRAF-JOYOIKCWSA-N 1 2 242.388 1.829 20 0 BDADLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)[C@H]1C1CC1 ZINC000291276829 167947494 /nfs/dbraw/zinc/94/74/94/167947494.db2.gz ZTTLTQMVROGUKN-ZDUSSCGKSA-N 1 2 247.342 1.920 20 0 BDADLO c1snnc1C[NH+]1CCC2(CCOC2)CC1 ZINC000660145536 411260781 /nfs/dbraw/zinc/26/07/81/411260781.db2.gz XUDRPDQIKCGWJR-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO Cn1cc(CNc2c[nH+]cc3c2CCCC3)nn1 ZINC000656776155 411357055 /nfs/dbraw/zinc/35/70/55/411357055.db2.gz JVFCSZFNLWOSIB-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(CO)o2)[C@H](C)CO1 ZINC000403745934 411358736 /nfs/dbraw/zinc/35/87/36/411358736.db2.gz UWOXSXILWARXJP-MNOVXSKESA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(CO)o2)[C@H](C)CO1 ZINC000403745934 411358739 /nfs/dbraw/zinc/35/87/39/411358739.db2.gz UWOXSXILWARXJP-MNOVXSKESA-N 1 2 239.315 1.771 20 0 BDADLO CCc1nocc1C[N@@H+]1CCc2nccnc2C1 ZINC000662119772 411363148 /nfs/dbraw/zinc/36/31/48/411363148.db2.gz VYVSXIOVWCWEAS-UHFFFAOYSA-N 1 2 244.298 1.585 20 0 BDADLO CCc1nocc1C[N@H+]1CCc2nccnc2C1 ZINC000662119772 411363153 /nfs/dbraw/zinc/36/31/53/411363153.db2.gz VYVSXIOVWCWEAS-UHFFFAOYSA-N 1 2 244.298 1.585 20 0 BDADLO CC1(C[NH2+]c2ccc(-n3ccnn3)cc2)COC1 ZINC000279531040 168047323 /nfs/dbraw/zinc/04/73/23/168047323.db2.gz HGXGFSSQIRGRCA-UHFFFAOYSA-N 1 2 244.298 1.716 20 0 BDADLO CCOCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121380063 411341637 /nfs/dbraw/zinc/34/16/37/411341637.db2.gz IOTUHZNAUXOVOO-LBPRGKRZSA-N 1 2 225.288 1.689 20 0 BDADLO CCOCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121380063 411341642 /nfs/dbraw/zinc/34/16/42/411341642.db2.gz IOTUHZNAUXOVOO-LBPRGKRZSA-N 1 2 225.288 1.689 20 0 BDADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000332660648 168000852 /nfs/dbraw/zinc/00/08/52/168000852.db2.gz NZEOFPHFWBBHHC-LURJTMIESA-N 1 2 247.245 1.352 20 0 BDADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000332660648 168000854 /nfs/dbraw/zinc/00/08/54/168000854.db2.gz NZEOFPHFWBBHHC-LURJTMIESA-N 1 2 247.245 1.352 20 0 BDADLO CC1(CCNC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000291445377 168019424 /nfs/dbraw/zinc/01/94/24/168019424.db2.gz FHAORCRIVUHYFH-UHFFFAOYSA-N 1 2 248.330 1.599 20 0 BDADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000284420628 168028117 /nfs/dbraw/zinc/02/81/17/168028117.db2.gz OQVKGMCODVKLQX-NSCUHMNNSA-N 1 2 249.314 1.356 20 0 BDADLO CC1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC000193459685 168029039 /nfs/dbraw/zinc/02/90/39/168029039.db2.gz FTLXMTJCRPSGFL-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC000193459685 168029040 /nfs/dbraw/zinc/02/90/40/168029040.db2.gz FTLXMTJCRPSGFL-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000153412162 168036781 /nfs/dbraw/zinc/03/67/81/168036781.db2.gz JDYBVZSRCRVTPV-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO Cc1noc(C[N@@H+]2CCC(C)=C(C)C2)n1 ZINC000280806624 168085553 /nfs/dbraw/zinc/08/55/53/168085553.db2.gz SQAQIMYDNXNHTD-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO Cc1noc(C[N@H+]2CCC(C)=C(C)C2)n1 ZINC000280806624 168085555 /nfs/dbraw/zinc/08/55/55/168085555.db2.gz SQAQIMYDNXNHTD-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO CC1=C(C)C[N@H+](Cc2nc(N(C)C)no2)CC1 ZINC000281204182 168086057 /nfs/dbraw/zinc/08/60/57/168086057.db2.gz CQWCTKSCAFBCHZ-UHFFFAOYSA-N 1 2 236.319 1.678 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2nc(N(C)C)no2)CC1 ZINC000281204182 168086060 /nfs/dbraw/zinc/08/60/60/168086060.db2.gz CQWCTKSCAFBCHZ-UHFFFAOYSA-N 1 2 236.319 1.678 20 0 BDADLO CC1=CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000280786624 168094210 /nfs/dbraw/zinc/09/42/10/168094210.db2.gz QIPGYPVKYZSGLE-UHFFFAOYSA-N 1 2 219.288 1.452 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC=C(C)C1 ZINC000280713506 168097524 /nfs/dbraw/zinc/09/75/24/168097524.db2.gz DUMLKNFCFILBHO-UHFFFAOYSA-N 1 2 248.330 1.617 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC=C(C)C1 ZINC000280713506 168097525 /nfs/dbraw/zinc/09/75/25/168097525.db2.gz DUMLKNFCFILBHO-UHFFFAOYSA-N 1 2 248.330 1.617 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC=C(C)C2)s1 ZINC000280735019 168100554 /nfs/dbraw/zinc/10/05/54/168100554.db2.gz HJWNYLHMPNCPCX-UHFFFAOYSA-N 1 2 209.318 1.999 20 0 BDADLO Cc1nnc(C[N@H+]2CCC=C(C)C2)s1 ZINC000280735019 168100556 /nfs/dbraw/zinc/10/05/56/168100556.db2.gz HJWNYLHMPNCPCX-UHFFFAOYSA-N 1 2 209.318 1.999 20 0 BDADLO CC1=CCN(CC[NH2+]Cc2csnn2)CC1 ZINC000336780030 168111430 /nfs/dbraw/zinc/11/14/30/168111430.db2.gz QDQNAPXGBPFIDQ-UHFFFAOYSA-N 1 2 238.360 1.280 20 0 BDADLO CC1=CC[N@H+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000276909689 168117904 /nfs/dbraw/zinc/11/79/04/168117904.db2.gz FNKQQAVGRHLCRO-JTQLQIEISA-N 1 2 233.319 1.721 20 0 BDADLO CC1=CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000276909689 168117907 /nfs/dbraw/zinc/11/79/07/168117907.db2.gz FNKQQAVGRHLCRO-JTQLQIEISA-N 1 2 233.319 1.721 20 0 BDADLO COc1cc(C[N@@H+]2CCSC[C@@H]2C)on1 ZINC000659944456 411388318 /nfs/dbraw/zinc/38/83/18/411388318.db2.gz KPFMENDMBUAEEB-QMMMGPOBSA-N 1 2 228.317 1.621 20 0 BDADLO COc1cc(C[N@H+]2CCSC[C@@H]2C)on1 ZINC000659944456 411388320 /nfs/dbraw/zinc/38/83/20/411388320.db2.gz KPFMENDMBUAEEB-QMMMGPOBSA-N 1 2 228.317 1.621 20 0 BDADLO CCC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335738161 168219622 /nfs/dbraw/zinc/21/96/22/168219622.db2.gz FIRPCDXXCZVCKO-SNVBAGLBSA-N 1 2 236.319 1.025 20 0 BDADLO CCC(=O)NCCCNc1cccc[nH+]1 ZINC000115161875 168228205 /nfs/dbraw/zinc/22/82/05/168228205.db2.gz IAALQQSAMZCPOZ-UHFFFAOYSA-N 1 2 207.277 1.410 20 0 BDADLO CCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152861789 168241983 /nfs/dbraw/zinc/24/19/83/168241983.db2.gz NUCLAZRWIZDOTI-JTQLQIEISA-N 1 2 219.288 1.187 20 0 BDADLO CCC(C)(C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280329275 168282892 /nfs/dbraw/zinc/28/28/92/168282892.db2.gz ZSEVLYPXFXDEQC-UHFFFAOYSA-N 1 2 237.347 2.000 20 0 BDADLO CCC(C)(C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000346275656 168284049 /nfs/dbraw/zinc/28/40/49/168284049.db2.gz RABGFXFHSUQGIR-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CCC(C)(C)NC(=O)CCc1c[nH+]cn1C ZINC000276663468 168288294 /nfs/dbraw/zinc/28/82/94/168288294.db2.gz MYSMFBOYDQWBRA-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO C[C@@H]1C[NH+](CCc2cnn[nH]2)C[C@@H](C)S1 ZINC000659961357 411402407 /nfs/dbraw/zinc/40/24/07/411402407.db2.gz QKDSAGDQQLYXNE-RKDXNWHRSA-N 1 2 226.349 1.173 20 0 BDADLO Nc1[nH+]cccc1CSc1nnnn1C1CC1 ZINC000052756109 411404414 /nfs/dbraw/zinc/40/44/14/411404414.db2.gz LEWGSZYQNYQMSB-UHFFFAOYSA-N 1 2 248.315 1.278 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cnc(C)s2)[nH]1 ZINC000129851033 411405797 /nfs/dbraw/zinc/40/57/97/411405797.db2.gz CLLSPDBVMYJJEM-LURJTMIESA-N 1 2 237.332 1.729 20 0 BDADLO c1[nH+]c2n(c1CNc1ccccn1)CCC2 ZINC000657320178 411461941 /nfs/dbraw/zinc/46/19/41/411461941.db2.gz WBDPCBNQQOBDEF-UHFFFAOYSA-N 1 2 214.272 1.836 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC1(C)C ZINC000654575483 411413025 /nfs/dbraw/zinc/41/30/25/411413025.db2.gz BMWVLSCDVPAWOO-PSASIEDQSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC1(C)C ZINC000654575483 411413026 /nfs/dbraw/zinc/41/30/26/411413026.db2.gz BMWVLSCDVPAWOO-PSASIEDQSA-N 1 2 221.304 1.503 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)o1 ZINC000653516658 411416705 /nfs/dbraw/zinc/41/67/05/411416705.db2.gz WINCSGRQCZTVSU-UHFFFAOYSA-N 1 2 249.270 1.294 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000660329447 411417872 /nfs/dbraw/zinc/41/78/72/411417872.db2.gz BGCZXQVLXIZAQB-LPEHRKFASA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](O)[C@@H](C)C2)[nH]1 ZINC000660329447 411417875 /nfs/dbraw/zinc/41/78/75/411417875.db2.gz BGCZXQVLXIZAQB-LPEHRKFASA-N 1 2 238.335 1.131 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccco1 ZINC000266945416 411419200 /nfs/dbraw/zinc/41/92/00/411419200.db2.gz DYGSJLZDMIZLBG-LLVKDONJSA-N 1 2 235.287 1.490 20 0 BDADLO CC[C@H](C)C[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653555079 411420324 /nfs/dbraw/zinc/42/03/24/411420324.db2.gz IUORYKSYSMYXNL-JTQLQIEISA-N 1 2 239.367 1.906 20 0 BDADLO CC[C@H](C)C[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653555079 411420328 /nfs/dbraw/zinc/42/03/28/411420328.db2.gz IUORYKSYSMYXNL-JTQLQIEISA-N 1 2 239.367 1.906 20 0 BDADLO CC(C)(C)n1nnc(C[NH+]2C[C@@H]3CCC[C@H]3C2)n1 ZINC000653568052 411423858 /nfs/dbraw/zinc/42/38/58/411423858.db2.gz JLGKXFVYRHLZHM-QWRGUYRKSA-N 1 2 249.362 1.660 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(C1CC1)C1CC1 ZINC000269962772 411426427 /nfs/dbraw/zinc/42/64/27/411426427.db2.gz QFMYWTGDYVFXFJ-UHFFFAOYSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C1CC1 ZINC000654705917 411433692 /nfs/dbraw/zinc/43/36/92/411433692.db2.gz RZRWASKYZDQAHX-MFKMUULPSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C1CC1 ZINC000654705917 411433695 /nfs/dbraw/zinc/43/36/95/411433695.db2.gz RZRWASKYZDQAHX-MFKMUULPSA-N 1 2 247.342 1.989 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1nccn1C(C)C ZINC000657292549 411453653 /nfs/dbraw/zinc/45/36/53/411453653.db2.gz MTJOKDJDKHDNDP-JTQLQIEISA-N 1 2 238.335 1.078 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H]2c3ccccc3C[C@H]2O)n1 ZINC000657343518 411469610 /nfs/dbraw/zinc/46/96/10/411469610.db2.gz PGTMEVOWXVQLCS-OCCSQVGLSA-N 1 2 243.310 1.466 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)n1 ZINC000657336564 411471587 /nfs/dbraw/zinc/47/15/87/411471587.db2.gz TYNXDXXBWLISSS-VIFPVBQESA-N 1 2 238.335 1.111 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1coc(C)n1 ZINC000659842046 411473184 /nfs/dbraw/zinc/47/31/84/411473184.db2.gz WQRBSWIJQPTDFE-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1coc(C)n1 ZINC000659842046 411473186 /nfs/dbraw/zinc/47/31/86/411473186.db2.gz WQRBSWIJQPTDFE-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)c2cn(C)nc2C)n1 ZINC000657347646 411475103 /nfs/dbraw/zinc/47/51/03/411475103.db2.gz VHUCJDKFCPCULM-VIFPVBQESA-N 1 2 233.319 1.611 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCCC2 ZINC000655009597 411476086 /nfs/dbraw/zinc/47/60/86/411476086.db2.gz NESPUMJBASKBQU-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCCC2 ZINC000655009597 411476089 /nfs/dbraw/zinc/47/60/89/411476089.db2.gz NESPUMJBASKBQU-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cocn1 ZINC000657355670 411477696 /nfs/dbraw/zinc/47/76/96/411477696.db2.gz YXHOBOPRMRCOHE-UHFFFAOYSA-N 1 2 246.314 1.965 20 0 BDADLO COCCn1ccc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000657362278 411480335 /nfs/dbraw/zinc/48/03/35/411480335.db2.gz SJZSQAWYKNEKOO-UHFFFAOYSA-N 1 2 235.291 1.173 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(F)(F)C1 ZINC000655029866 411480896 /nfs/dbraw/zinc/48/08/96/411480896.db2.gz WVMIIZDSXQHUPH-ZETCQYMHSA-N 1 2 243.257 1.502 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(F)(F)C1 ZINC000655029866 411480899 /nfs/dbraw/zinc/48/08/99/411480899.db2.gz WVMIIZDSXQHUPH-ZETCQYMHSA-N 1 2 243.257 1.502 20 0 BDADLO CCn1cc(C[NH2+]Cc2nc(C)c(C)[nH]2)cn1 ZINC000657366023 411481559 /nfs/dbraw/zinc/48/15/59/411481559.db2.gz JRSDTRAGIQFYES-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO CCn1cc(CNCc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000657366023 411481561 /nfs/dbraw/zinc/48/15/61/411481561.db2.gz JRSDTRAGIQFYES-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)C1CCC1)CC2 ZINC000655043254 411483291 /nfs/dbraw/zinc/48/32/91/411483291.db2.gz NJOIKFXQFDUFGA-NSHDSACASA-N 1 2 247.342 1.970 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cc(C)n[nH]2)n1 ZINC000657369206 411483572 /nfs/dbraw/zinc/48/35/72/411483572.db2.gz YRAPHBNNMGGSPZ-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO COC[C@@H](NCc1[nH]cc(C)[nH+]1)c1ccco1 ZINC000657382131 411488011 /nfs/dbraw/zinc/48/80/11/411488011.db2.gz GFZLVGVKMOWJLC-SNVBAGLBSA-N 1 2 235.287 1.788 20 0 BDADLO Cc1c[nH]c(CNc2cccc(CO)c2)[nH+]1 ZINC000657390256 411491298 /nfs/dbraw/zinc/49/12/98/411491298.db2.gz VUHCUGYFHNTLNV-UHFFFAOYSA-N 1 2 217.272 1.823 20 0 BDADLO C[C@H]1C[N@H+](CC2CC=CC2)CCS(=O)(=O)C1 ZINC000660418635 411492019 /nfs/dbraw/zinc/49/20/19/411492019.db2.gz QPIQRFAMOOXWHG-NSHDSACASA-N 1 2 243.372 1.319 20 0 BDADLO C[C@H]1C[N@@H+](CC2CC=CC2)CCS(=O)(=O)C1 ZINC000660418635 411492020 /nfs/dbraw/zinc/49/20/20/411492020.db2.gz QPIQRFAMOOXWHG-NSHDSACASA-N 1 2 243.372 1.319 20 0 BDADLO CCOCC[N@H+](CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659909536 411492601 /nfs/dbraw/zinc/49/26/01/411492601.db2.gz NZGHPVRLTUEXFP-JTQLQIEISA-N 1 2 240.351 1.787 20 0 BDADLO CCOCC[N@@H+](CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659909536 411492604 /nfs/dbraw/zinc/49/26/04/411492604.db2.gz NZGHPVRLTUEXFP-JTQLQIEISA-N 1 2 240.351 1.787 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1ccn(CCO)n1 ZINC000657400181 411496028 /nfs/dbraw/zinc/49/60/28/411496028.db2.gz FRHXBPJPXUEVSM-UHFFFAOYSA-N 1 2 249.318 1.265 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)cn2)C[C@H](C)O1 ZINC000659918623 411498040 /nfs/dbraw/zinc/49/80/40/411498040.db2.gz LVTNXDRAZXPVGL-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)cn2)C[C@H](C)O1 ZINC000659918623 411498042 /nfs/dbraw/zinc/49/80/42/411498042.db2.gz LVTNXDRAZXPVGL-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000659918623 411498044 /nfs/dbraw/zinc/49/80/44/411498044.db2.gz LVTNXDRAZXPVGL-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(CF)CF ZINC000655120121 411499098 /nfs/dbraw/zinc/49/90/98/411499098.db2.gz RMZWZJSAOUYXID-SSDOTTSWSA-N 1 2 231.246 1.012 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(CF)CF ZINC000655120121 411499100 /nfs/dbraw/zinc/49/91/00/411499100.db2.gz RMZWZJSAOUYXID-SSDOTTSWSA-N 1 2 231.246 1.012 20 0 BDADLO Cc1c[nH]c(CNc2ccc(OCCO)nc2)[nH+]1 ZINC000657416311 411499863 /nfs/dbraw/zinc/49/98/63/411499863.db2.gz NPKHJCQGMZMEDL-UHFFFAOYSA-N 1 2 248.286 1.096 20 0 BDADLO CCC[C@@H](O)CC(=O)NCc1[nH+]ccn1CC ZINC000655128089 411500595 /nfs/dbraw/zinc/50/05/95/411500595.db2.gz QOYQMOVNLCRRNM-SNVBAGLBSA-N 1 2 239.319 1.070 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc3n(n2)CCC3)ncn1 ZINC000657418875 411501448 /nfs/dbraw/zinc/50/14/48/411501448.db2.gz NNSWDZILZGUZGE-UHFFFAOYSA-N 1 2 243.314 1.218 20 0 BDADLO CC[C@@H]1COCCN1Cc1cn(C)c[nH+]1 ZINC000659932976 411503107 /nfs/dbraw/zinc/50/31/07/411503107.db2.gz SJYNRGFJCJSGAX-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cn(C)cn1 ZINC000659932976 411503109 /nfs/dbraw/zinc/50/31/09/411503109.db2.gz SJYNRGFJCJSGAX-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cn(C)cn1 ZINC000659932976 411503110 /nfs/dbraw/zinc/50/31/10/411503110.db2.gz SJYNRGFJCJSGAX-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ccc(F)cn2)nn1 ZINC000342134460 411505156 /nfs/dbraw/zinc/50/51/56/411505156.db2.gz KJDHDXAKFDGTHE-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCCC(F)(F)C2)C1 ZINC000655163644 411508181 /nfs/dbraw/zinc/50/81/81/411508181.db2.gz JOJWCHKOAZTZMC-UHFFFAOYSA-N 1 2 246.301 1.586 20 0 BDADLO CC(C)n1cc[nH+]c1CNCC(F)(F)CO ZINC000657435908 411509284 /nfs/dbraw/zinc/50/92/84/411509284.db2.gz BBOIYNQYDVDUJE-UHFFFAOYSA-N 1 2 233.262 1.181 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CC23CCCC3)n1 ZINC000657448577 411509810 /nfs/dbraw/zinc/50/98/10/411509810.db2.gz LORWGTRJSUATRI-JTQLQIEISA-N 1 2 249.362 1.850 20 0 BDADLO Cc1c[nH]c(CN[C@H](C)c2ccn(C)n2)[nH+]1 ZINC000657492408 411534848 /nfs/dbraw/zinc/53/48/48/411534848.db2.gz VYSNZDJXJPMHJL-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1c[nH]c(CNCc2nnc(C3CC3)s2)[nH+]1 ZINC000657495084 411534916 /nfs/dbraw/zinc/53/49/16/411534916.db2.gz HKTTWUWDWCSYTH-UHFFFAOYSA-N 1 2 249.343 1.737 20 0 BDADLO CC[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655800128 411517820 /nfs/dbraw/zinc/51/78/20/411517820.db2.gz YGUNIROMANCCQJ-RKDXNWHRSA-N 1 2 224.308 1.544 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)CO1 ZINC000657462266 411518790 /nfs/dbraw/zinc/51/87/90/411518790.db2.gz RTMWCCXAHIUOBC-JGVFFNPUSA-N 1 2 205.248 1.941 20 0 BDADLO Cc1c[nH]c(CNc2ccc(CCO)nc2)[nH+]1 ZINC000657466307 411520003 /nfs/dbraw/zinc/52/00/03/411520003.db2.gz FKWPOTOWUIYULV-UHFFFAOYSA-N 1 2 232.287 1.260 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1ncnn1CC ZINC000657458018 411520558 /nfs/dbraw/zinc/52/05/58/411520558.db2.gz VODQDRUISHWJKQ-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO CC(C)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655818744 411526065 /nfs/dbraw/zinc/52/60/65/411526065.db2.gz HOMRJXWEUPMYMS-VIFPVBQESA-N 1 2 224.308 1.402 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)sn1 ZINC000660009794 411527548 /nfs/dbraw/zinc/52/75/48/411527548.db2.gz ARSJWLBBUAUYKV-RKDXNWHRSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)sn1 ZINC000660009794 411527551 /nfs/dbraw/zinc/52/75/51/411527551.db2.gz ARSJWLBBUAUYKV-RKDXNWHRSA-N 1 2 242.344 1.761 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCC(C)C ZINC000371333364 170002049 /nfs/dbraw/zinc/00/20/49/170002049.db2.gz AHKKQKSMKGOGPT-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCC(C)C ZINC000371333364 170002051 /nfs/dbraw/zinc/00/20/51/170002051.db2.gz AHKKQKSMKGOGPT-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1nc(N)c(CNC(=O)c2cccs2)c[nH+]1 ZINC000556842141 322928744 /nfs/dbraw/zinc/92/87/44/322928744.db2.gz ULBYMFVJECEIHI-UHFFFAOYSA-N 1 2 248.311 1.189 20 0 BDADLO COc1cc(CN(C)Cc2[nH+]ccn2C)on1 ZINC000660135342 411543522 /nfs/dbraw/zinc/54/35/22/411543522.db2.gz CNZDHVBNGAYJIP-UHFFFAOYSA-N 1 2 236.275 1.049 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000660132252 411543549 /nfs/dbraw/zinc/54/35/49/411543549.db2.gz HUWLLWCPWOHIIA-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000660132252 411543551 /nfs/dbraw/zinc/54/35/51/411543551.db2.gz HUWLLWCPWOHIIA-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287762 170070909 /nfs/dbraw/zinc/07/09/09/170070909.db2.gz PSEUQQLVOWESBK-UHFFFAOYSA-N 1 2 203.245 1.013 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CC23CC3)n1 ZINC000657495148 411535466 /nfs/dbraw/zinc/53/54/66/411535466.db2.gz HYHRLAMIPXIDNF-MRVPVSSYSA-N 1 2 221.308 1.070 20 0 BDADLO CCNC(=O)[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000267988070 170088856 /nfs/dbraw/zinc/08/88/56/170088856.db2.gz QOPVPVAKSJTVCO-SECBINFHSA-N 1 2 244.298 1.566 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000294169543 170095582 /nfs/dbraw/zinc/09/55/82/170095582.db2.gz RGDWHFTYAPGDJK-LPEHRKFASA-N 1 2 236.319 1.003 20 0 BDADLO CCNC(=O)[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000267988074 170096602 /nfs/dbraw/zinc/09/66/02/170096602.db2.gz QOPVPVAKSJTVCO-VIFPVBQESA-N 1 2 244.298 1.566 20 0 BDADLO CCN(CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660103462 411537083 /nfs/dbraw/zinc/53/70/83/411537083.db2.gz CSIGFPRTTMPPGK-SECBINFHSA-N 1 2 224.308 1.533 20 0 BDADLO CCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660101405 411537219 /nfs/dbraw/zinc/53/72/19/411537219.db2.gz PWTHDEBWSPEJSB-QMMMGPOBSA-N 1 2 210.281 1.142 20 0 BDADLO CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030653734 170101017 /nfs/dbraw/zinc/10/10/17/170101017.db2.gz HXBDCVZWBIMBOT-UHFFFAOYSA-N 1 2 215.256 1.622 20 0 BDADLO CCNC(=S)Nc1c[nH+]c2ccccn12 ZINC000089201164 170106880 /nfs/dbraw/zinc/10/68/80/170106880.db2.gz DNTNSINYFCKFGM-UHFFFAOYSA-N 1 2 220.301 1.641 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccco2)c2ncnn21 ZINC000657568497 411553131 /nfs/dbraw/zinc/55/31/31/411553131.db2.gz JVOLWMPVVSSZKJ-PSASIEDQSA-N 1 2 218.260 1.667 20 0 BDADLO CC[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000061673827 170131324 /nfs/dbraw/zinc/13/13/24/170131324.db2.gz UUIXBMSQVOOWGL-UHFFFAOYSA-N 1 2 211.265 1.073 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCc1ccco1 ZINC000660217934 411555380 /nfs/dbraw/zinc/55/53/80/411555380.db2.gz LWLNFFOEMHQYRU-UHFFFAOYSA-N 1 2 248.286 1.387 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCc1ccco1 ZINC000660217934 411555382 /nfs/dbraw/zinc/55/53/82/411555382.db2.gz LWLNFFOEMHQYRU-UHFFFAOYSA-N 1 2 248.286 1.387 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)on1 ZINC000660222469 411555672 /nfs/dbraw/zinc/55/56/72/411555672.db2.gz VUOSAWPYNJFTDN-LLVKDONJSA-N 1 2 240.303 1.540 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)on1 ZINC000660222469 411555673 /nfs/dbraw/zinc/55/56/73/411555673.db2.gz VUOSAWPYNJFTDN-LLVKDONJSA-N 1 2 240.303 1.540 20 0 BDADLO Cc1cccnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000660143553 411545191 /nfs/dbraw/zinc/54/51/91/411545191.db2.gz WYUACOBVAWKVCQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CCOC(=O)C(C)(C)N(C)Cc1[nH+]ccn1C ZINC000112356241 170186586 /nfs/dbraw/zinc/18/65/86/170186586.db2.gz GWSRKISIHIBDEQ-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@@H](C)O ZINC000336773666 170187931 /nfs/dbraw/zinc/18/79/31/170187931.db2.gz YYSQVSXDCKILLF-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCOCC12CC2 ZINC000338589704 170200322 /nfs/dbraw/zinc/20/03/22/170200322.db2.gz BKCDKSMTDWGACR-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCOCC12CC2 ZINC000338589704 170200323 /nfs/dbraw/zinc/20/03/23/170200323.db2.gz BKCDKSMTDWGACR-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO CCOC(=O)CCNc1cc(C(C)C)[nH+]cn1 ZINC000041676489 170209780 /nfs/dbraw/zinc/20/97/80/170209780.db2.gz VEIMOWHMHNNGHS-UHFFFAOYSA-N 1 2 237.303 1.965 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125597208 170219879 /nfs/dbraw/zinc/21/98/79/170219879.db2.gz MBQSKWLSELDJER-LBPRGKRZSA-N 1 2 234.299 1.782 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125597208 170219881 /nfs/dbraw/zinc/21/98/81/170219881.db2.gz MBQSKWLSELDJER-LBPRGKRZSA-N 1 2 234.299 1.782 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353009544 170219938 /nfs/dbraw/zinc/21/99/38/170219938.db2.gz QTQCDXJUHMGTFL-MRVPVSSYSA-N 1 2 237.246 1.111 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353009544 170219940 /nfs/dbraw/zinc/21/99/40/170219940.db2.gz QTQCDXJUHMGTFL-MRVPVSSYSA-N 1 2 237.246 1.111 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000369331997 170226431 /nfs/dbraw/zinc/22/64/31/170226431.db2.gz RPTOAPKSTOWLLL-GFCCVEGCSA-N 1 2 248.326 1.418 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000375728823 170226553 /nfs/dbraw/zinc/22/65/53/170226553.db2.gz DCCBZAFOWCHGNX-MVWJERBFSA-N 1 2 241.331 1.343 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000037472597 170227124 /nfs/dbraw/zinc/22/71/24/170227124.db2.gz UQBXMUJPGFDIAD-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCC12CCCC2 ZINC000309036326 170227202 /nfs/dbraw/zinc/22/72/02/170227202.db2.gz IIOWMOSDNIDKHO-JTQLQIEISA-N 1 2 211.305 1.862 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](Cc1cccnc1)C1CC1 ZINC000190820621 170247037 /nfs/dbraw/zinc/24/70/37/170247037.db2.gz VJFMNNXNDRXQDX-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cccnc1)C1CC1 ZINC000190820621 170247039 /nfs/dbraw/zinc/24/70/39/170247039.db2.gz VJFMNNXNDRXQDX-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO CCOC(=O)[C@@H](CC)N(C)Cc1[nH+]ccn1C ZINC000084120917 170250263 /nfs/dbraw/zinc/25/02/63/170250263.db2.gz CZSFIPCXPJPLJP-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccco2)C1 ZINC000293822016 170252189 /nfs/dbraw/zinc/25/21/89/170252189.db2.gz FWILPEPFGAIAOY-NSHDSACASA-N 1 2 241.262 1.613 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000109824792 170258280 /nfs/dbraw/zinc/25/82/80/170258280.db2.gz ZFQWIFDLFYLPRC-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000109824792 170258282 /nfs/dbraw/zinc/25/82/82/170258282.db2.gz ZFQWIFDLFYLPRC-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOCCC(C)C ZINC000353653615 170265831 /nfs/dbraw/zinc/26/58/31/170265831.db2.gz HODKKDUQBVFERE-LBPRGKRZSA-N 1 2 245.363 1.933 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCCC(C)C ZINC000353653615 170265832 /nfs/dbraw/zinc/26/58/32/170265832.db2.gz HODKKDUQBVFERE-LBPRGKRZSA-N 1 2 245.363 1.933 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OCC ZINC000358793470 170268056 /nfs/dbraw/zinc/26/80/56/170268056.db2.gz VBELFJGYMUPZNK-BBBLOLIVSA-N 1 2 245.319 1.115 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+](C)CCn1cccn1 ZINC000072631045 170271969 /nfs/dbraw/zinc/27/19/69/170271969.db2.gz ILLRJBRUGORBIF-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+](C)CCn1cccn1 ZINC000072631045 170271970 /nfs/dbraw/zinc/27/19/70/170271970.db2.gz ILLRJBRUGORBIF-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC[C@@H]2C)[nH]1 ZINC000657607770 411561868 /nfs/dbraw/zinc/56/18/68/411561868.db2.gz KJGRNTCIHKSRDK-IUCAKERBSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000657608034 411561975 /nfs/dbraw/zinc/56/19/75/411561975.db2.gz RAYOZIFAVAQFOX-NXEZZACHSA-N 1 2 238.335 1.619 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2ccoc2C)n1 ZINC000657610004 411562824 /nfs/dbraw/zinc/56/28/24/411562824.db2.gz WIHIHARQNHLJBG-UHFFFAOYSA-N 1 2 236.275 1.142 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H](C)CC ZINC000041118528 170277613 /nfs/dbraw/zinc/27/76/13/170277613.db2.gz CUVHLKIBMVYPSQ-SDDRHHMPSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000276119069 170281294 /nfs/dbraw/zinc/28/12/94/170281294.db2.gz YOGSJSYARSGJEC-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cncc(C)c1 ZINC000276119069 170281296 /nfs/dbraw/zinc/28/12/96/170281296.db2.gz YOGSJSYARSGJEC-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@@H]2C)n1 ZINC000314253372 170310104 /nfs/dbraw/zinc/31/01/04/170310104.db2.gz HGDBQYWVTJQKAB-QMMMGPOBSA-N 1 2 239.275 1.231 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@@H]2C)n1 ZINC000314253372 170310105 /nfs/dbraw/zinc/31/01/05/170310105.db2.gz HGDBQYWVTJQKAB-QMMMGPOBSA-N 1 2 239.275 1.231 20 0 BDADLO CCc1cc(CC)n(-c2[nH+]ccn2C)n1 ZINC000131610660 411573089 /nfs/dbraw/zinc/57/30/89/411573089.db2.gz OHLXKABSMZXQQP-UHFFFAOYSA-N 1 2 204.277 1.731 20 0 BDADLO CO[C@@H](C[NH2+][C@H](C)c1ncn(C)n1)C1CCC1 ZINC000660374746 411575228 /nfs/dbraw/zinc/57/52/28/411575228.db2.gz XGKLEPHRIGHJPW-KOLCDFICSA-N 1 2 238.335 1.281 20 0 BDADLO CCOCCN(CC)c1cc(C)[nH+]cn1 ZINC000301235769 170396095 /nfs/dbraw/zinc/39/60/95/170396095.db2.gz HQEOVWREBRFFKU-UHFFFAOYSA-N 1 2 209.293 1.648 20 0 BDADLO C[C@@H](NC(=O)NCC(F)F)c1[nH+]ccn1C ZINC000660782856 411628425 /nfs/dbraw/zinc/62/84/25/411628425.db2.gz ILYVMVMHBNXJEU-ZCFIWIBFSA-N 1 2 232.234 1.045 20 0 BDADLO FCCOCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000663340001 411628828 /nfs/dbraw/zinc/62/88/28/411628828.db2.gz HIVWCBGTIQHFOG-UHFFFAOYSA-N 1 2 237.278 1.639 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000663348600 411632717 /nfs/dbraw/zinc/63/27/17/411632717.db2.gz GFWRLOHFNVAWQM-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000660808124 411640274 /nfs/dbraw/zinc/64/02/74/411640274.db2.gz NLOCPKJHQVPFQD-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000660808124 411640276 /nfs/dbraw/zinc/64/02/76/411640276.db2.gz NLOCPKJHQVPFQD-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)no1 ZINC000660808124 411640278 /nfs/dbraw/zinc/64/02/78/411640278.db2.gz NLOCPKJHQVPFQD-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)no1 ZINC000660808124 411640281 /nfs/dbraw/zinc/64/02/81/411640281.db2.gz NLOCPKJHQVPFQD-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)no1 ZINC000660808124 411640284 /nfs/dbraw/zinc/64/02/84/411640284.db2.gz NLOCPKJHQVPFQD-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)no1 ZINC000660808124 411640288 /nfs/dbraw/zinc/64/02/88/411640288.db2.gz NLOCPKJHQVPFQD-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO C[C@H]1CSCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660406716 411580467 /nfs/dbraw/zinc/58/04/67/411580467.db2.gz HZYCDYCXRBKOCR-SECBINFHSA-N 1 2 226.349 1.032 20 0 BDADLO C[C@H]1CSCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660406716 411580469 /nfs/dbraw/zinc/58/04/69/411580469.db2.gz HZYCDYCXRBKOCR-SECBINFHSA-N 1 2 226.349 1.032 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660422570 411582738 /nfs/dbraw/zinc/58/27/38/411582738.db2.gz FWEYEXLCPVDCMT-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660422570 411582740 /nfs/dbraw/zinc/58/27/40/411582740.db2.gz FWEYEXLCPVDCMT-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660422568 411582975 /nfs/dbraw/zinc/58/29/75/411582975.db2.gz FWEYEXLCPVDCMT-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660422568 411582976 /nfs/dbraw/zinc/58/29/76/411582976.db2.gz FWEYEXLCPVDCMT-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO c1cc([C@@H]2CCC[N@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000660430467 411583581 /nfs/dbraw/zinc/58/35/81/411583581.db2.gz UZMIKYAZRJWYGK-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO c1cc([C@@H]2CCC[N@@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000660430467 411583583 /nfs/dbraw/zinc/58/35/83/411583583.db2.gz UZMIKYAZRJWYGK-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO CC1(C)CC[N@H+](CCc2cnn[nH]2)CCS1 ZINC000660434952 411584458 /nfs/dbraw/zinc/58/44/58/411584458.db2.gz DRYYFJDQOOCZPP-UHFFFAOYSA-N 1 2 240.376 1.565 20 0 BDADLO CC1(C)CC[N@@H+](CCc2cnn[nH]2)CCS1 ZINC000660434952 411584460 /nfs/dbraw/zinc/58/44/60/411584460.db2.gz DRYYFJDQOOCZPP-UHFFFAOYSA-N 1 2 240.376 1.565 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@H](C2CC2)O1 ZINC000660447723 411586743 /nfs/dbraw/zinc/58/67/43/411586743.db2.gz ZCYNKNRJQOSHDO-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@H](C2CC2)O1 ZINC000660447723 411586745 /nfs/dbraw/zinc/58/67/45/411586745.db2.gz ZCYNKNRJQOSHDO-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO COC[C@@H](C[N@@H+]1Cc2cccnc2C1)OC ZINC000660462788 411588958 /nfs/dbraw/zinc/58/89/58/411588958.db2.gz UQTKJGWLMGNHIC-LLVKDONJSA-N 1 2 222.288 1.059 20 0 BDADLO COC[C@@H](C[N@H+]1Cc2cccnc2C1)OC ZINC000660462788 411588962 /nfs/dbraw/zinc/58/89/62/411588962.db2.gz UQTKJGWLMGNHIC-LLVKDONJSA-N 1 2 222.288 1.059 20 0 BDADLO Cn1c[nH+]c(CN2CCC(=O)CC23CCC3)c1 ZINC000660820044 411645745 /nfs/dbraw/zinc/64/57/45/411645745.db2.gz MKVCUZWTHLZZCK-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO CC[N@H+](Cc1cc(C2CC2)no1)[C@@H]1CCNC1=O ZINC000660479107 411591258 /nfs/dbraw/zinc/59/12/58/411591258.db2.gz WZSOMRANRIKXMB-GFCCVEGCSA-N 1 2 249.314 1.262 20 0 BDADLO CC[N@@H+](Cc1cc(C2CC2)no1)[C@@H]1CCNC1=O ZINC000660479107 411591260 /nfs/dbraw/zinc/59/12/60/411591260.db2.gz WZSOMRANRIKXMB-GFCCVEGCSA-N 1 2 249.314 1.262 20 0 BDADLO CCOC[C@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000193817955 170450270 /nfs/dbraw/zinc/45/02/70/170450270.db2.gz JLIRKCBIMNDLMZ-SNVBAGLBSA-N 1 2 249.314 1.397 20 0 BDADLO CC(C)=CCC[N@@H+](C)Cc1nncn1C ZINC000660558197 411600554 /nfs/dbraw/zinc/60/05/54/411600554.db2.gz VMLBCUREQKACQU-UHFFFAOYSA-N 1 2 208.309 1.603 20 0 BDADLO CC(C)=CCC[N@H+](C)Cc1nncn1C ZINC000660558197 411600555 /nfs/dbraw/zinc/60/05/55/411600555.db2.gz VMLBCUREQKACQU-UHFFFAOYSA-N 1 2 208.309 1.603 20 0 BDADLO Cc1nc(CN2CCn3c[nH+]cc3C2)sc1C ZINC000660576632 411602139 /nfs/dbraw/zinc/60/21/39/411602139.db2.gz BAIZWLSEIRLGAO-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cc1nc([C@H](C)N2CCn3c[nH+]cc3C2)no1 ZINC000660581550 411602898 /nfs/dbraw/zinc/60/28/98/411602898.db2.gz FXZANJFYGLZYAV-QMMMGPOBSA-N 1 2 233.275 1.151 20 0 BDADLO O[C@@H](CN1CCn2c[nH+]cc2C1)CC(F)(F)F ZINC000660582617 411603122 /nfs/dbraw/zinc/60/31/22/411603122.db2.gz XBUCBUBOAJPGMD-SECBINFHSA-N 1 2 249.236 1.012 20 0 BDADLO CCn1cc[nH+]c1CNc1nn(C)cc1C ZINC000657811564 411603755 /nfs/dbraw/zinc/60/37/55/411603755.db2.gz CXKXNXCGHDNNDO-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000657818497 411606237 /nfs/dbraw/zinc/60/62/37/411606237.db2.gz QUDQHVNJIUDJDJ-ZWNOBZJWSA-N 1 2 246.314 1.027 20 0 BDADLO CCc1nocc1C[N@H+](C(C)C)C1COC1 ZINC000660647475 411612362 /nfs/dbraw/zinc/61/23/62/411612362.db2.gz LYTHJWSEEPPKGZ-UHFFFAOYSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@@H+](C(C)C)C1COC1 ZINC000660647475 411612364 /nfs/dbraw/zinc/61/23/64/411612364.db2.gz LYTHJWSEEPPKGZ-UHFFFAOYSA-N 1 2 224.304 1.846 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCCC1CC1 ZINC000660693876 411617683 /nfs/dbraw/zinc/61/76/83/411617683.db2.gz NXUGOAZSQPWNJL-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCCC1CC1 ZINC000660693876 411617684 /nfs/dbraw/zinc/61/76/84/411617684.db2.gz NXUGOAZSQPWNJL-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1CC(C)(C)C1 ZINC000660705471 411618111 /nfs/dbraw/zinc/61/81/11/411618111.db2.gz MXWRLMLWENGSRK-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCC=C(C)C)C1 ZINC000660729397 411618653 /nfs/dbraw/zinc/61/86/53/411618653.db2.gz MVKJEMKYJUNUDU-UHFFFAOYSA-N 1 2 231.361 1.462 20 0 BDADLO CO[C@@H]1CC[N@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660721637 411618837 /nfs/dbraw/zinc/61/88/37/411618837.db2.gz QUWURTHJUHMUEX-LLVKDONJSA-N 1 2 238.335 1.094 20 0 BDADLO CO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660721637 411618838 /nfs/dbraw/zinc/61/88/38/411618838.db2.gz QUWURTHJUHMUEX-LLVKDONJSA-N 1 2 238.335 1.094 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@H](O)C1 ZINC000663314331 411622414 /nfs/dbraw/zinc/62/24/14/411622414.db2.gz KQCJOAZDRSFOMV-SNVBAGLBSA-N 1 2 243.310 1.778 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCSC1 ZINC000660767153 411622806 /nfs/dbraw/zinc/62/28/06/411622806.db2.gz PENVOLXOAAHZBB-MRVPVSSYSA-N 1 2 240.332 1.057 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCSC1 ZINC000660767153 411622808 /nfs/dbraw/zinc/62/28/08/411622808.db2.gz PENVOLXOAAHZBB-MRVPVSSYSA-N 1 2 240.332 1.057 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844000 411654114 /nfs/dbraw/zinc/65/41/14/411654114.db2.gz KNWGGTMYKUILCX-VIFPVBQESA-N 1 2 243.307 1.268 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844000 411654115 /nfs/dbraw/zinc/65/41/15/411654115.db2.gz KNWGGTMYKUILCX-VIFPVBQESA-N 1 2 243.307 1.268 20 0 BDADLO COC[C@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000601755789 411655477 /nfs/dbraw/zinc/65/54/77/411655477.db2.gz ZDOLUDUYYLDEQG-GFCCVEGCSA-N 1 2 237.303 1.163 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000660962409 411687341 /nfs/dbraw/zinc/68/73/41/411687341.db2.gz MYRWOAHKCFTZJP-WPRPVWTQSA-N 1 2 215.256 1.929 20 0 BDADLO COc1coc(CN(C)Cc2c[nH+]c[nH]2)cc1=O ZINC000661084803 411697724 /nfs/dbraw/zinc/69/77/24/411697724.db2.gz HWBJZACQGAKWRP-UHFFFAOYSA-N 1 2 249.270 1.004 20 0 BDADLO COc1coc(CN(C)Cc2c[nH]c[nH+]2)cc1=O ZINC000661084803 411697729 /nfs/dbraw/zinc/69/77/29/411697729.db2.gz HWBJZACQGAKWRP-UHFFFAOYSA-N 1 2 249.270 1.004 20 0 BDADLO CCCCOCC[N@H+](C)Cc1cnc[nH]1 ZINC000661086568 411698905 /nfs/dbraw/zinc/69/89/05/411698905.db2.gz CQPAOEFTVOKXFU-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1cnc[nH]1 ZINC000661086568 411698913 /nfs/dbraw/zinc/69/89/13/411698913.db2.gz CQPAOEFTVOKXFU-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO CCCCOCC[N@H+](C)Cc1c[nH]cn1 ZINC000661086568 411698918 /nfs/dbraw/zinc/69/89/18/411698918.db2.gz CQPAOEFTVOKXFU-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1c[nH]cn1 ZINC000661086568 411698920 /nfs/dbraw/zinc/69/89/20/411698920.db2.gz CQPAOEFTVOKXFU-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2cnc[nH]2)O1 ZINC000661088242 411699951 /nfs/dbraw/zinc/69/99/51/411699951.db2.gz ICNIJBZAMXUBMX-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2cnc[nH]2)O1 ZINC000661088242 411699954 /nfs/dbraw/zinc/69/99/54/411699954.db2.gz ICNIJBZAMXUBMX-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2c[nH]cn2)O1 ZINC000661088242 411699955 /nfs/dbraw/zinc/69/99/55/411699955.db2.gz ICNIJBZAMXUBMX-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2c[nH]cn2)O1 ZINC000661088242 411699959 /nfs/dbraw/zinc/69/99/59/411699959.db2.gz ICNIJBZAMXUBMX-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1cnc[nH]1 ZINC000661089033 411700120 /nfs/dbraw/zinc/70/01/20/411700120.db2.gz UXYFMGIZRKZGNQ-UHFFFAOYSA-N 1 2 234.303 1.689 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1cnc[nH]1 ZINC000661089033 411700123 /nfs/dbraw/zinc/70/01/23/411700123.db2.gz UXYFMGIZRKZGNQ-UHFFFAOYSA-N 1 2 234.303 1.689 20 0 BDADLO CC(=O)c1ccnc(NCc2[nH+]ccn2C)c1 ZINC000663540419 411700328 /nfs/dbraw/zinc/70/03/28/411700328.db2.gz QFUXATOEGAQJEU-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000661089687 411702712 /nfs/dbraw/zinc/70/27/12/411702712.db2.gz FOOYFUHCMZNPBA-VIFPVBQESA-N 1 2 247.302 1.407 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000661089687 411702716 /nfs/dbraw/zinc/70/27/16/411702716.db2.gz FOOYFUHCMZNPBA-VIFPVBQESA-N 1 2 247.302 1.407 20 0 BDADLO Cn1nncc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661507636 411791946 /nfs/dbraw/zinc/79/19/46/411791946.db2.gz AFTBZAUQHIAILE-ZDUSSCGKSA-N 1 2 246.289 1.901 20 0 BDADLO Cn1nncc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661507636 411791952 /nfs/dbraw/zinc/79/19/52/411791952.db2.gz AFTBZAUQHIAILE-ZDUSSCGKSA-N 1 2 246.289 1.901 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661307131 411748649 /nfs/dbraw/zinc/74/86/49/411748649.db2.gz CUAYDQUKDCEYFB-WDEREUQCSA-N 1 2 236.319 1.596 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661307131 411748654 /nfs/dbraw/zinc/74/86/54/411748654.db2.gz CUAYDQUKDCEYFB-WDEREUQCSA-N 1 2 236.319 1.596 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1[nH+]ccc2c(N)cccc21 ZINC000663841158 411759551 /nfs/dbraw/zinc/75/95/51/411759551.db2.gz AWKCWOIKSSYQPP-ZJUUUORDSA-N 1 2 243.310 1.777 20 0 BDADLO CCc1cc(NCC(=O)NC2CCCC2)nc[nH+]1 ZINC000603385236 411766234 /nfs/dbraw/zinc/76/62/34/411766234.db2.gz DAQSFTDSIURERX-UHFFFAOYSA-N 1 2 248.330 1.510 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC1(F)F ZINC000661401186 411769227 /nfs/dbraw/zinc/76/92/27/411769227.db2.gz ANIDXMXJZIPJSV-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC1(F)F ZINC000661401186 411769229 /nfs/dbraw/zinc/76/92/29/411769229.db2.gz ANIDXMXJZIPJSV-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO CCNC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512810 411793444 /nfs/dbraw/zinc/79/34/44/411793444.db2.gz GGYSZBISUHYMBS-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512810 411793447 /nfs/dbraw/zinc/79/34/47/411793447.db2.gz GGYSZBISUHYMBS-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000663919176 411776096 /nfs/dbraw/zinc/77/60/96/411776096.db2.gz JGXPDHLSSPWRJY-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO CCc1cc(NC(=O)Cc2[nH]cc(CC)[nH+]2)n[nH]1 ZINC000636035752 411781152 /nfs/dbraw/zinc/78/11/52/411781152.db2.gz CJXCTUDAKLCIET-UHFFFAOYSA-N 1 2 247.302 1.439 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccnn1C ZINC000661468669 411783107 /nfs/dbraw/zinc/78/31/07/411783107.db2.gz KNKCUNXVZMHGDI-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccnn1C ZINC000661468669 411783110 /nfs/dbraw/zinc/78/31/10/411783110.db2.gz KNKCUNXVZMHGDI-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO Cc1nc(N[C@H](C)[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000631495338 411786799 /nfs/dbraw/zinc/78/67/99/411786799.db2.gz ZGWZNWIVUWFVJG-XRGYYRRGSA-N 1 2 235.209 1.509 20 0 BDADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1csnn1)C2 ZINC000661490446 411786946 /nfs/dbraw/zinc/78/69/46/411786946.db2.gz HJZXEYQEOLINKJ-PHIMTYICSA-N 1 2 239.344 1.397 20 0 BDADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1csnn1)C2 ZINC000661490446 411786951 /nfs/dbraw/zinc/78/69/51/411786951.db2.gz HJZXEYQEOLINKJ-PHIMTYICSA-N 1 2 239.344 1.397 20 0 BDADLO C[C@@]1(O)CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663685352 411723118 /nfs/dbraw/zinc/72/31/18/411723118.db2.gz FHOHBWXLRXHLHI-CQSZACIVSA-N 1 2 243.310 1.778 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2c2cnccn2)[nH]1 ZINC000663695135 411724438 /nfs/dbraw/zinc/72/44/38/411724438.db2.gz SPQIFEHTDKSPRR-JTQLQIEISA-N 1 2 229.287 1.931 20 0 BDADLO C[C@@]1(C2CC2)C[N@H+](Cc2ccno2)CCO1 ZINC000661167948 411725789 /nfs/dbraw/zinc/72/57/89/411725789.db2.gz QLGDGKZHSKPGEZ-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccno2)CCO1 ZINC000661167948 411725791 /nfs/dbraw/zinc/72/57/91/411725791.db2.gz QLGDGKZHSKPGEZ-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165113 411725944 /nfs/dbraw/zinc/72/59/44/411725944.db2.gz RUHHLSNJVWTDET-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661165113 411725947 /nfs/dbraw/zinc/72/59/47/411725947.db2.gz RUHHLSNJVWTDET-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000661166949 411726519 /nfs/dbraw/zinc/72/65/19/411726519.db2.gz DHPPQFAOTBESOW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000661166949 411726521 /nfs/dbraw/zinc/72/65/21/411726521.db2.gz DHPPQFAOTBESOW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO C[C@@H]1C[NH+](Cc2cn[nH]c2)C[C@@H](C)C1=O ZINC000661544535 411799086 /nfs/dbraw/zinc/79/90/86/411799086.db2.gz FLLBEVSDVZCZIX-RKDXNWHRSA-N 1 2 207.277 1.067 20 0 BDADLO CC(=O)c1ccnc(NCCc2cn(C)c[nH+]2)c1 ZINC000663999590 411808163 /nfs/dbraw/zinc/80/81/63/411808163.db2.gz SHSIAHBKGWWDNR-UHFFFAOYSA-N 1 2 244.298 1.672 20 0 BDADLO CCn1nncc1CNc1cc[nH+]c(C2CC2)n1 ZINC000528063696 411823775 /nfs/dbraw/zinc/82/37/75/411823775.db2.gz KVQCZOHIPJSVIK-UHFFFAOYSA-N 1 2 244.302 1.578 20 0 BDADLO CCn1nncc1CNc1cc(C)[nH+]cn1 ZINC000528064501 411824631 /nfs/dbraw/zinc/82/46/31/411824631.db2.gz SGRRSEXXHJCDPX-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BDADLO Cc1cnc(C[N@@H+](C)CC2=CCCOC2)o1 ZINC000661656359 411830044 /nfs/dbraw/zinc/83/00/44/411830044.db2.gz ZTLPDPUWJAUAMS-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO Cc1cnc(C[N@H+](C)CC2=CCCOC2)o1 ZINC000661656359 411830047 /nfs/dbraw/zinc/83/00/47/411830047.db2.gz ZTLPDPUWJAUAMS-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO Cc1ncn(Cc2[nH+]ccn2C(F)F)n1 ZINC000664081771 411844653 /nfs/dbraw/zinc/84/46/53/411844653.db2.gz CJGWPMSAOPHZSQ-UHFFFAOYSA-N 1 2 213.191 1.226 20 0 BDADLO COc1cc[nH+]cc1Cn1cnc(C(C)C)n1 ZINC000664107553 411858221 /nfs/dbraw/zinc/85/82/21/411858221.db2.gz KRWSBKCOLTXXIV-UHFFFAOYSA-N 1 2 232.287 1.853 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)c1ccnc(C2CC2)n1 ZINC000664125953 411863457 /nfs/dbraw/zinc/86/34/57/411863457.db2.gz DLKPVYQYELLEQK-UHFFFAOYSA-N 1 2 229.287 1.714 20 0 BDADLO OC/C=C\CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000664234941 411891886 /nfs/dbraw/zinc/89/18/86/411891886.db2.gz DYXUSBWXZQZKEC-DJWKRKHSSA-N 1 2 248.330 1.427 20 0 BDADLO OC/C=C\CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000664234941 411891888 /nfs/dbraw/zinc/89/18/88/411891888.db2.gz DYXUSBWXZQZKEC-DJWKRKHSSA-N 1 2 248.330 1.427 20 0 BDADLO Cc1nc(N2CCCC[C@H]2[C@@H](C)CO)cc[nH+]1 ZINC000664268344 411905782 /nfs/dbraw/zinc/90/57/82/411905782.db2.gz QTNYSMLPKQWHCP-JQWIXIFHSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)C2(CO)CC2)[nH+]1 ZINC000664271494 411906636 /nfs/dbraw/zinc/90/66/36/411906636.db2.gz KXLZXZNADSHRNU-MRVPVSSYSA-N 1 2 246.314 1.839 20 0 BDADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)C1(CO)CC1 ZINC000664273174 411906910 /nfs/dbraw/zinc/90/69/10/411906910.db2.gz UMNXVVQCIHPFJX-ZCFIWIBFSA-N 1 2 242.710 1.285 20 0 BDADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)C1(CO)CC1 ZINC000664273174 411906913 /nfs/dbraw/zinc/90/69/13/411906913.db2.gz UMNXVVQCIHPFJX-ZCFIWIBFSA-N 1 2 242.710 1.285 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)C1(CO)CC1 ZINC000664270598 411907658 /nfs/dbraw/zinc/90/76/58/411907658.db2.gz IISVAOPKCNTLCX-SECBINFHSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)C1(CO)CC1 ZINC000664270598 411907660 /nfs/dbraw/zinc/90/76/60/411907660.db2.gz IISVAOPKCNTLCX-SECBINFHSA-N 1 2 248.330 1.624 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000664288322 411914287 /nfs/dbraw/zinc/91/42/87/411914287.db2.gz PJENDKMPEBDZDD-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000664288322 411914290 /nfs/dbraw/zinc/91/42/90/411914290.db2.gz PJENDKMPEBDZDD-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Cn1ccnc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661955004 411918200 /nfs/dbraw/zinc/91/82/00/411918200.db2.gz SVYZXMOYFFDMBG-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO O=C1CC[C@@H]2CN(c3cccc[nH+]3)CC[C@H]2N1 ZINC000664341527 411926291 /nfs/dbraw/zinc/92/62/91/411926291.db2.gz POUFAHHKVMZFHE-GHMZBOCLSA-N 1 2 231.299 1.187 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1nccs1 ZINC000661972141 411929103 /nfs/dbraw/zinc/92/91/03/411929103.db2.gz IWYDSMRFSRXYND-IUCAKERBSA-N 1 2 237.328 1.423 20 0 BDADLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1nccs1 ZINC000661972141 411929109 /nfs/dbraw/zinc/92/91/09/411929109.db2.gz IWYDSMRFSRXYND-IUCAKERBSA-N 1 2 237.328 1.423 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC=CCC1 ZINC000664172780 411880111 /nfs/dbraw/zinc/88/01/11/411880111.db2.gz KQFVTYNYJNNTSQ-SNVBAGLBSA-N 1 2 234.303 1.660 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC=CCC1 ZINC000664172780 411880114 /nfs/dbraw/zinc/88/01/14/411880114.db2.gz KQFVTYNYJNNTSQ-SNVBAGLBSA-N 1 2 234.303 1.660 20 0 BDADLO Cc1cc(N2CCO[C@@](C)(C3CC3)C2)nc[nH+]1 ZINC000664177725 411881130 /nfs/dbraw/zinc/88/11/30/411881130.db2.gz MCDCRLLTLSBINE-CYBMUJFWSA-N 1 2 233.315 1.790 20 0 BDADLO CCc1cc(N[C@@H]2C[C@H](C)n3ncnc32)nc[nH+]1 ZINC000664183442 411882630 /nfs/dbraw/zinc/88/26/30/411882630.db2.gz FJIOCMWBIXPVNQ-WCBMZHEXSA-N 1 2 244.302 1.748 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](C)n3ncnc32)nc[nH+]1 ZINC000664183441 411883629 /nfs/dbraw/zinc/88/36/29/411883629.db2.gz FJIOCMWBIXPVNQ-SCZZXKLOSA-N 1 2 244.302 1.748 20 0 BDADLO OC[C@H](CNc1cccc[nH+]1)CC1CC1 ZINC000664461404 411964713 /nfs/dbraw/zinc/96/47/13/411964713.db2.gz BXWZBTRYGFANJT-NSHDSACASA-N 1 2 206.289 1.902 20 0 BDADLO Cn1ccc(C[NH+]2CCC(c3ccon3)CC2)n1 ZINC000662048160 411965401 /nfs/dbraw/zinc/96/54/01/411965401.db2.gz PNHZYOCFLVPARH-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000664465614 411966593 /nfs/dbraw/zinc/96/65/93/411966593.db2.gz PICVRMOWMZVTMU-NXEZZACHSA-N 1 2 219.288 1.500 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC3(COC3)C2)no1 ZINC000662076061 411976167 /nfs/dbraw/zinc/97/61/67/411976167.db2.gz RERWDVBKXXLGOD-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC3(COC3)C2)no1 ZINC000662076061 411976168 /nfs/dbraw/zinc/97/61/68/411976168.db2.gz RERWDVBKXXLGOD-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO Cc1nc(N2CC[C@H]3C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000664525249 411977848 /nfs/dbraw/zinc/97/78/48/411977848.db2.gz NUIHIOIRCSFSPC-UWVGGRQHSA-N 1 2 233.319 1.092 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000664525249 411977851 /nfs/dbraw/zinc/97/78/51/411977851.db2.gz NUIHIOIRCSFSPC-UWVGGRQHSA-N 1 2 233.319 1.092 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662090446 411985379 /nfs/dbraw/zinc/98/53/79/411985379.db2.gz DRZNMKNSRFJYKS-ZJUUUORDSA-N 1 2 236.319 1.675 20 0 BDADLO C[C@@H](NC(=O)N(C)CC1CC1)c1[nH+]ccn1C ZINC000662097790 411987417 /nfs/dbraw/zinc/98/74/17/411987417.db2.gz SLWYOOBHZWQUGI-SECBINFHSA-N 1 2 236.319 1.533 20 0 BDADLO Cc1nc(N2CCC3(COC3)C2)cc[nH+]1 ZINC000664571468 411989493 /nfs/dbraw/zinc/98/94/93/411989493.db2.gz ZLAUKUIOZMUJGL-UHFFFAOYSA-N 1 2 205.261 1.012 20 0 BDADLO CCn1cc(C[N@@H+]2CCc3nccnc3C2)cn1 ZINC000662118622 411991155 /nfs/dbraw/zinc/99/11/55/411991155.db2.gz IJQVRLLUVXJOPO-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCn1cc(C[N@H+]2CCc3nccnc3C2)cn1 ZINC000662118622 411991160 /nfs/dbraw/zinc/99/11/60/411991160.db2.gz IJQVRLLUVXJOPO-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO FC(F)(F)CC[N@@H+]1CCc2nccnc2C1 ZINC000662120595 411992413 /nfs/dbraw/zinc/99/24/13/411992413.db2.gz GNLYIILLSNAQEK-UHFFFAOYSA-N 1 2 231.221 1.787 20 0 BDADLO FC(F)(F)CC[N@H+]1CCc2nccnc2C1 ZINC000662120595 411992415 /nfs/dbraw/zinc/99/24/15/411992415.db2.gz GNLYIILLSNAQEK-UHFFFAOYSA-N 1 2 231.221 1.787 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1[nH+]ccn1C ZINC000664773184 412020226 /nfs/dbraw/zinc/02/02/26/412020226.db2.gz SOKLZKYYNNHWSY-CHWFTXMASA-N 1 2 248.330 1.579 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1n[nH]c(=O)[nH]1 ZINC000662130764 411996061 /nfs/dbraw/zinc/99/60/61/411996061.db2.gz XHRWPSJBFIROQT-CBLAIPOGSA-N 1 2 222.292 1.273 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1n[nH]c(=O)[nH]1 ZINC000662130764 411996064 /nfs/dbraw/zinc/99/60/64/411996064.db2.gz XHRWPSJBFIROQT-CBLAIPOGSA-N 1 2 222.292 1.273 20 0 BDADLO C[C@@H](Nc1cc2c(nn1)CCC2)c1[nH+]ccn1C ZINC000664608940 411998698 /nfs/dbraw/zinc/99/86/98/411998698.db2.gz QPCDEWNTDGHQER-SECBINFHSA-N 1 2 243.314 1.872 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H]1C[C@H](O)C1 ZINC000664642425 412003199 /nfs/dbraw/zinc/00/31/99/412003199.db2.gz MUDAJUFGWRXZDR-MGCOHNPYSA-N 1 2 249.314 1.606 20 0 BDADLO Cc1nc(N(C)CC2=CCSC2)cc[nH+]1 ZINC000664641782 412003416 /nfs/dbraw/zinc/00/34/16/412003416.db2.gz WHGUCFVJNCCXFV-UHFFFAOYSA-N 1 2 221.329 1.894 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000664669800 412008037 /nfs/dbraw/zinc/00/80/37/412008037.db2.gz GYHOZCWREXCIKI-JTQLQIEISA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)C[C@@H]2CC2(C)C)[nH+]1 ZINC000664669800 412008039 /nfs/dbraw/zinc/00/80/39/412008039.db2.gz GYHOZCWREXCIKI-JTQLQIEISA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N2CCO[C@@](C)(C(F)F)C2)cc[nH+]1 ZINC000664684912 412010510 /nfs/dbraw/zinc/01/05/10/412010510.db2.gz OJWSRZYYMFISFU-LLVKDONJSA-N 1 2 243.257 1.645 20 0 BDADLO Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)nc[nH+]1 ZINC000664418608 411949530 /nfs/dbraw/zinc/94/95/30/411949530.db2.gz OPHAINFWSUDZKN-PWSUYJOCSA-N 1 2 219.288 1.258 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000664440872 411959572 /nfs/dbraw/zinc/95/95/72/411959572.db2.gz HEZHCEBNZDWJJH-GXSJLCMTSA-N 1 2 248.330 1.401 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000664440872 411959575 /nfs/dbraw/zinc/95/95/75/411959575.db2.gz HEZHCEBNZDWJJH-GXSJLCMTSA-N 1 2 248.330 1.401 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662222134 412031136 /nfs/dbraw/zinc/03/11/36/412031136.db2.gz GIZYYVLJOGASCO-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662222134 412031142 /nfs/dbraw/zinc/03/11/42/412031142.db2.gz GIZYYVLJOGASCO-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO FCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230278 412033217 /nfs/dbraw/zinc/03/32/17/412033217.db2.gz VSSZYXCUWLRROQ-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO FCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230278 412033220 /nfs/dbraw/zinc/03/32/20/412033220.db2.gz VSSZYXCUWLRROQ-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc[nH]n2)C1 ZINC000664864427 412034655 /nfs/dbraw/zinc/03/46/55/412034655.db2.gz PHYHELJHZDGAJL-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc[nH]n2)C1 ZINC000664864427 412034657 /nfs/dbraw/zinc/03/46/57/412034657.db2.gz PHYHELJHZDGAJL-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO C[C@@H]1C[N@H+](CCO)C[C@H](CC(F)(F)F)O1 ZINC000662241324 412036584 /nfs/dbraw/zinc/03/65/84/412036584.db2.gz JGMCPQGFBWRXLU-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](CCO)C[C@H](CC(F)(F)F)O1 ZINC000662241324 412036587 /nfs/dbraw/zinc/03/65/87/412036587.db2.gz JGMCPQGFBWRXLU-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000176507704 171016227 /nfs/dbraw/zinc/01/62/27/171016227.db2.gz CIQVFVRRCZISIQ-SECBINFHSA-N 1 2 231.303 1.600 20 0 BDADLO CC[C@@H]1CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000293853641 171017853 /nfs/dbraw/zinc/01/78/53/171017853.db2.gz BYZIAUGLQPLLRY-GFCCVEGCSA-N 1 2 243.310 1.888 20 0 BDADLO CC[C@@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000291793154 171018154 /nfs/dbraw/zinc/01/81/54/171018154.db2.gz IXSMYPMEZFXBOY-SECBINFHSA-N 1 2 222.292 1.114 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)CCO1 ZINC000338391897 171075250 /nfs/dbraw/zinc/07/52/50/171075250.db2.gz KBBXFJYDOWPSMW-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)CCO1 ZINC000338391897 171075252 /nfs/dbraw/zinc/07/52/52/171075252.db2.gz KBBXFJYDOWPSMW-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000292138499 171087384 /nfs/dbraw/zinc/08/73/84/171087384.db2.gz HSVPBNUTYLSDGU-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000292138499 171087387 /nfs/dbraw/zinc/08/73/87/171087387.db2.gz HSVPBNUTYLSDGU-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)C2CC2)C[C@H](C)O1 ZINC000359594712 171093536 /nfs/dbraw/zinc/09/35/36/171093536.db2.gz KXMRMMKUVCLCMU-MVWJERBFSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C(=O)OC)C2CC2)C[C@H](C)O1 ZINC000359594712 171093539 /nfs/dbraw/zinc/09/35/39/171093539.db2.gz KXMRMMKUVCLCMU-MVWJERBFSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)s2)C[C@@H]1O ZINC000358826276 171094738 /nfs/dbraw/zinc/09/47/38/171094738.db2.gz HNYAVEQRSGZRFF-BDAKNGLRSA-N 1 2 227.333 1.049 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)s2)C[C@@H]1O ZINC000358826276 171094739 /nfs/dbraw/zinc/09/47/39/171094739.db2.gz HNYAVEQRSGZRFF-BDAKNGLRSA-N 1 2 227.333 1.049 20 0 BDADLO CC[C@H](C(=O)NC(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339235840 171095851 /nfs/dbraw/zinc/09/58/51/171095851.db2.gz SAPBUDXECIGVBF-VXGBXAGGSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C(=O)NC(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339235840 171095853 /nfs/dbraw/zinc/09/58/53/171095853.db2.gz SAPBUDXECIGVBF-VXGBXAGGSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCC1CCC1 ZINC000115575821 171106780 /nfs/dbraw/zinc/10/67/80/171106780.db2.gz LJFCBKRLSCXMMP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)NCC1CCC1 ZINC000115575821 171106783 /nfs/dbraw/zinc/10/67/83/171106783.db2.gz LJFCBKRLSCXMMP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1Cc1[nH+]ccn1CC ZINC000341814696 171109965 /nfs/dbraw/zinc/10/99/65/171109965.db2.gz VBVMFHCFXQHNQR-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1Cc1[nH+]ccn1C ZINC000272493583 171114207 /nfs/dbraw/zinc/11/42/07/171114207.db2.gz SNKKCLKXDYUWKV-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nccn1C ZINC000272493583 171114209 /nfs/dbraw/zinc/11/42/09/171114209.db2.gz SNKKCLKXDYUWKV-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nccn1C ZINC000272493583 171114210 /nfs/dbraw/zinc/11/42/10/171114210.db2.gz SNKKCLKXDYUWKV-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[C@H](C[N@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777037 171128917 /nfs/dbraw/zinc/12/89/17/171128917.db2.gz JTBHAZLBVVKSMD-GHMZBOCLSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777037 171128920 /nfs/dbraw/zinc/12/89/20/171128920.db2.gz JTBHAZLBVVKSMD-GHMZBOCLSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000366682130 171135201 /nfs/dbraw/zinc/13/52/01/171135201.db2.gz XGPCVIGEOVAICH-GHMZBOCLSA-N 1 2 248.330 1.515 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000358133429 171136433 /nfs/dbraw/zinc/13/64/33/171136433.db2.gz BNGUMYTWLIWTFU-PSASIEDQSA-N 1 2 222.292 1.018 20 0 BDADLO CC[C@@](C)([NH2+]CC[C@H](C)F)C(=O)OC ZINC000308586959 171175281 /nfs/dbraw/zinc/17/52/81/171175281.db2.gz ISMOTEWZKMEZIZ-WCBMZHEXSA-N 1 2 205.273 1.666 20 0 BDADLO CC[C@@](C)([NH2+]CCOC1CCC1)C(=O)OC ZINC000336744365 171175496 /nfs/dbraw/zinc/17/54/96/171175496.db2.gz UTXQHGXWCSBXMG-GFCCVEGCSA-N 1 2 229.320 1.487 20 0 BDADLO C[N@@H+](Cc1ccon1)CC1=CCSC1 ZINC000662267348 412060698 /nfs/dbraw/zinc/06/06/98/412060698.db2.gz UGSHMCQUUOSGEB-UHFFFAOYSA-N 1 2 210.302 1.780 20 0 BDADLO C[N@H+](Cc1ccon1)CC1=CCSC1 ZINC000662267348 412060701 /nfs/dbraw/zinc/06/07/01/412060701.db2.gz UGSHMCQUUOSGEB-UHFFFAOYSA-N 1 2 210.302 1.780 20 0 BDADLO CC[C@@](C)(O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000075228039 171183339 /nfs/dbraw/zinc/18/33/39/171183339.db2.gz UZWOVLAITYNAJM-CYBMUJFWSA-N 1 2 247.298 1.225 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCCc2occc2C1 ZINC000288951761 171240939 /nfs/dbraw/zinc/24/09/39/171240939.db2.gz XNHZZEJJALTLFF-LLVKDONJSA-N 1 2 237.299 1.979 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCCc2occc2C1 ZINC000288951761 171240942 /nfs/dbraw/zinc/24/09/42/171240942.db2.gz XNHZZEJJALTLFF-LLVKDONJSA-N 1 2 237.299 1.979 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](CC)Cc1ccccn1 ZINC000179369135 171241216 /nfs/dbraw/zinc/24/12/16/171241216.db2.gz XTPFREDMOOXGAM-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](CC)Cc1ccccn1 ZINC000179369135 171241219 /nfs/dbraw/zinc/24/12/19/171241219.db2.gz XTPFREDMOOXGAM-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000054474628 171288725 /nfs/dbraw/zinc/28/87/25/171288725.db2.gz QEMOVQUUIRHJLA-QMMMGPOBSA-N 1 2 219.292 1.821 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccncc1 ZINC000281370932 171311757 /nfs/dbraw/zinc/31/17/57/171311757.db2.gz VNFDPNIJGBZSJL-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccncc1 ZINC000281370932 171311759 /nfs/dbraw/zinc/31/17/59/171311759.db2.gz VNFDPNIJGBZSJL-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336568746 171330527 /nfs/dbraw/zinc/33/05/27/171330527.db2.gz BMCRWWVXDBWJPP-VHSXEESVSA-N 1 2 236.319 1.296 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000301258787 171334682 /nfs/dbraw/zinc/33/46/82/171334682.db2.gz UNKGKCGUAAQHLZ-WPRPVWTQSA-N 1 2 236.319 1.500 20 0 BDADLO CC[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000234000111 171350644 /nfs/dbraw/zinc/35/06/44/171350644.db2.gz GVMQEQBGNHNRAU-YFKPBYRVSA-N 1 2 200.673 1.923 20 0 BDADLO CC[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000234000111 171350646 /nfs/dbraw/zinc/35/06/46/171350646.db2.gz GVMQEQBGNHNRAU-YFKPBYRVSA-N 1 2 200.673 1.923 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000299625021 171362214 /nfs/dbraw/zinc/36/22/14/171362214.db2.gz FNVVSODOIPCVHB-WDEREUQCSA-N 1 2 223.320 1.824 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCOCC(C)C)C(=O)OC ZINC000337310887 171375055 /nfs/dbraw/zinc/37/50/55/171375055.db2.gz BQWMUFIFRYOYGJ-NWDGAFQWSA-N 1 2 245.363 1.836 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279435325 171386949 /nfs/dbraw/zinc/38/69/49/171386949.db2.gz MTYUGUIYPAXRHE-IUCAKERBSA-N 1 2 223.320 1.811 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279435325 171386950 /nfs/dbraw/zinc/38/69/50/171386950.db2.gz MTYUGUIYPAXRHE-IUCAKERBSA-N 1 2 223.320 1.811 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000041042054 171399853 /nfs/dbraw/zinc/39/98/53/171399853.db2.gz VRXWAKCPVAFNAN-DCAQKATOSA-N 1 2 229.320 1.343 20 0 BDADLO COCC1([NH2+]Cc2ccn[nH]2)CCCCC1 ZINC000662340354 412109718 /nfs/dbraw/zinc/10/97/18/412109718.db2.gz VBEKXGJXXYPYQW-UHFFFAOYSA-N 1 2 223.320 1.849 20 0 BDADLO COc1cc(-c2[nH+]ccn2C)cc(C)c1N ZINC000665180634 412121429 /nfs/dbraw/zinc/12/14/29/412121429.db2.gz GLNKCVNLTCKKMA-UHFFFAOYSA-N 1 2 217.272 1.986 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@](C)(C(F)F)O1 ZINC000662361060 412124307 /nfs/dbraw/zinc/12/43/07/412124307.db2.gz JRHWNOVTAOUQFD-LDYMZIIASA-N 1 2 246.257 1.919 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@](C)(C(F)F)O1 ZINC000662361060 412124310 /nfs/dbraw/zinc/12/43/10/412124310.db2.gz JRHWNOVTAOUQFD-LDYMZIIASA-N 1 2 246.257 1.919 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000662368520 412126196 /nfs/dbraw/zinc/12/61/96/412126196.db2.gz CBIXVKYBPGPCGT-NSHDSACASA-N 1 2 245.273 1.308 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000662368520 412126198 /nfs/dbraw/zinc/12/61/98/412126198.db2.gz CBIXVKYBPGPCGT-NSHDSACASA-N 1 2 245.273 1.308 20 0 BDADLO CCc1nc(C[N@@H+]2CC3CC2(C)C3)no1 ZINC000662381957 412134286 /nfs/dbraw/zinc/13/42/86/412134286.db2.gz KVGFCFJKGCJHFE-UHFFFAOYSA-N 1 2 207.277 1.616 20 0 BDADLO CCc1nc(C[N@H+]2CC3CC2(C)C3)no1 ZINC000662381957 412134289 /nfs/dbraw/zinc/13/42/89/412134289.db2.gz KVGFCFJKGCJHFE-UHFFFAOYSA-N 1 2 207.277 1.616 20 0 BDADLO C[C@H](C(=O)Nc1n[nH]c2cc(O)ccc21)[NH+](C)C ZINC000635949311 412186382 /nfs/dbraw/zinc/18/63/82/412186382.db2.gz DPABRYIFJJHRAR-SSDOTTSWSA-N 1 2 248.286 1.157 20 0 BDADLO CCc1cc(NC[C@H](O)C2CCC2)nc[nH+]1 ZINC000315483483 412203052 /nfs/dbraw/zinc/20/30/52/412203052.db2.gz BGOKACCBBCBAFV-NSHDSACASA-N 1 2 221.304 1.612 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(NCc2c[nH+]cn2C)o1 ZINC000630962830 412161698 /nfs/dbraw/zinc/16/16/98/412161698.db2.gz SQZOOEXBKUDVJD-VXNVDRBHSA-N 1 2 233.275 1.539 20 0 BDADLO CC[C@H](SC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269458909 171593043 /nfs/dbraw/zinc/59/30/43/171593043.db2.gz FUEZZTSAWCDEPM-UWVGGRQHSA-N 1 2 241.360 1.529 20 0 BDADLO CNC(=O)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000541089256 412284363 /nfs/dbraw/zinc/28/43/63/412284363.db2.gz HDTADLULMXFVKT-MRVPVSSYSA-N 1 2 248.330 1.210 20 0 BDADLO O=C(CCCF)NCc1cn2ccccc2[nH+]1 ZINC000665396604 412307441 /nfs/dbraw/zinc/30/74/41/412307441.db2.gz KQOUBIUBVHBTSE-UHFFFAOYSA-N 1 2 235.262 1.700 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@@H+]2CCO)no1 ZINC000378012415 172004961 /nfs/dbraw/zinc/00/49/61/172004961.db2.gz ZPJPTZOTHOBVPO-VIFPVBQESA-N 1 2 225.292 1.151 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@H+]2CCO)no1 ZINC000378012415 172004965 /nfs/dbraw/zinc/00/49/65/172004965.db2.gz ZPJPTZOTHOBVPO-VIFPVBQESA-N 1 2 225.292 1.151 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](C)C2)s1 ZINC000271026442 172016846 /nfs/dbraw/zinc/01/68/46/172016846.db2.gz DWYCQTUPMAOUPN-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](C)C2)s1 ZINC000271026442 172016848 /nfs/dbraw/zinc/01/68/48/172016848.db2.gz DWYCQTUPMAOUPN-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1[nH+]ccn1Cc1nnc(C(C)(C)C)[nH]1 ZINC000292567741 172028425 /nfs/dbraw/zinc/02/84/25/172028425.db2.gz YMWFWCCINVIHGX-UHFFFAOYSA-N 1 2 233.319 1.909 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000345347715 172041596 /nfs/dbraw/zinc/04/15/96/172041596.db2.gz LPOBSPLKQPJLQN-LBPRGKRZSA-N 1 2 245.330 1.414 20 0 BDADLO CCc1nnc(CN2CCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000329250469 172050036 /nfs/dbraw/zinc/05/00/36/172050036.db2.gz UJSBNRRCNAZTPH-VIFPVBQESA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cncs2)s1 ZINC000309031385 172051649 /nfs/dbraw/zinc/05/16/49/172051649.db2.gz DZROXNCFTQYLSX-UHFFFAOYSA-N 1 2 240.357 1.847 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CC2(CO)CC2)o1 ZINC000331993951 172064904 /nfs/dbraw/zinc/06/49/04/172064904.db2.gz UUQCYUWHJZVPHI-SECBINFHSA-N 1 2 239.319 1.397 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CC2(CO)CC2)o1 ZINC000331993951 172064905 /nfs/dbraw/zinc/06/49/05/172064905.db2.gz UUQCYUWHJZVPHI-SECBINFHSA-N 1 2 239.319 1.397 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@@H](C)OC)o1 ZINC000353206891 172065735 /nfs/dbraw/zinc/06/57/35/172065735.db2.gz SWWBKBJWTBDROD-BDAKNGLRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@@H](C)OC)o1 ZINC000353206891 172065738 /nfs/dbraw/zinc/06/57/38/172065738.db2.gz SWWBKBJWTBDROD-BDAKNGLRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nncn1CCNc1cc(C)[nH+]cn1 ZINC000301472793 172068320 /nfs/dbraw/zinc/06/83/20/172068320.db2.gz QKMDUPWNDHIDOE-UHFFFAOYSA-N 1 2 232.291 1.051 20 0 BDADLO CCc1nocc1C[N@H+](C)CC(=O)NC(C)C ZINC000293373489 172093238 /nfs/dbraw/zinc/09/32/38/172093238.db2.gz JHCWARNEEDYEBI-UHFFFAOYSA-N 1 2 239.319 1.193 20 0 BDADLO CCc1nocc1C[N@@H+](C)CC(=O)NC(C)C ZINC000293373489 172093241 /nfs/dbraw/zinc/09/32/41/172093241.db2.gz JHCWARNEEDYEBI-UHFFFAOYSA-N 1 2 239.319 1.193 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1ccnn1C ZINC000293448243 172095620 /nfs/dbraw/zinc/09/56/20/172095620.db2.gz PCJWMRQIDGNAMK-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1ccnn1C ZINC000293448243 172095623 /nfs/dbraw/zinc/09/56/23/172095623.db2.gz PCJWMRQIDGNAMK-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC(C)(C)C1 ZINC000336332640 172097098 /nfs/dbraw/zinc/09/70/98/172097098.db2.gz FRXBKUJVPQDHJT-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC(C)(C)C1 ZINC000336332640 172097100 /nfs/dbraw/zinc/09/71/00/172097100.db2.gz FRXBKUJVPQDHJT-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1occc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000280453417 172115981 /nfs/dbraw/zinc/11/59/81/172115981.db2.gz DYYXZXUWFGSIQN-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO CCn1cc(CC[N@@H+]2CCC(=O)[C@H](C)C2)cn1 ZINC000284834519 172158709 /nfs/dbraw/zinc/15/87/09/172158709.db2.gz BPBIELQWOJDTBQ-LLVKDONJSA-N 1 2 235.331 1.356 20 0 BDADLO CCn1cc(CC[N@H+]2CCC(=O)[C@H](C)C2)cn1 ZINC000284834519 172158711 /nfs/dbraw/zinc/15/87/11/172158711.db2.gz BPBIELQWOJDTBQ-LLVKDONJSA-N 1 2 235.331 1.356 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000353902305 172162839 /nfs/dbraw/zinc/16/28/39/172162839.db2.gz SNARLTYQECZBGD-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000353902305 172162841 /nfs/dbraw/zinc/16/28/41/172162841.db2.gz SNARLTYQECZBGD-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ccn(C)n2)c(C)n1 ZINC000020349969 172174571 /nfs/dbraw/zinc/17/45/71/172174571.db2.gz LWVUHUBJXVARNQ-NSHDSACASA-N 1 2 247.346 1.796 20 0 BDADLO CCn1cc(NC(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC000346136436 172179150 /nfs/dbraw/zinc/17/91/50/172179150.db2.gz HAOLWYNWVLFVNI-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](C2CC2)C1 ZINC000372488020 172219806 /nfs/dbraw/zinc/21/98/06/172219806.db2.gz WLLHLZWRNHNNFV-LBPRGKRZSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc[nH+]c1CN(CCOC)CC(F)F ZINC000103484886 172220188 /nfs/dbraw/zinc/22/01/88/172220188.db2.gz NOPYAFUTUQMQCH-UHFFFAOYSA-N 1 2 247.289 1.617 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@H](C)SC ZINC000295699258 172221867 /nfs/dbraw/zinc/22/18/67/172221867.db2.gz ITTJQJTYPJYOEN-VIFPVBQESA-N 1 2 241.360 1.661 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NOCC(C)C ZINC000296506266 172222018 /nfs/dbraw/zinc/22/20/18/172222018.db2.gz NXGVAGCVUZYLRZ-UHFFFAOYSA-N 1 2 240.307 1.290 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccc(C)nc1 ZINC000295697049 172222648 /nfs/dbraw/zinc/22/26/48/172222648.db2.gz IOZRVTWHPLUHMX-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000265626114 172223832 /nfs/dbraw/zinc/22/38/32/172223832.db2.gz BWUZKVMOQADPND-JTQLQIEISA-N 1 2 247.346 1.796 20 0 BDADLO CCn1c[nH+]cc1CN1CCOCC12CCC2 ZINC000334611172 172233645 /nfs/dbraw/zinc/23/36/45/172233645.db2.gz MILNWEDHVSYAHO-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOCC12CCC2 ZINC000334611172 172233649 /nfs/dbraw/zinc/23/36/49/172233649.db2.gz MILNWEDHVSYAHO-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cncc1C[N@H+]1CCOCC12CCC2 ZINC000334611172 172233651 /nfs/dbraw/zinc/23/36/51/172233651.db2.gz MILNWEDHVSYAHO-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1cnccc1C ZINC000357798987 172236289 /nfs/dbraw/zinc/23/62/89/172236289.db2.gz TYDHAFOFDZBZHR-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1ccon1 ZINC000309974224 172272515 /nfs/dbraw/zinc/27/25/15/172272515.db2.gz RNKZCXUNDVNHQG-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000193495386 172282749 /nfs/dbraw/zinc/28/27/49/172282749.db2.gz ZXURUTBDLRDTRW-JTQLQIEISA-N 1 2 246.314 1.854 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000266298310 172316988 /nfs/dbraw/zinc/31/69/88/172316988.db2.gz RBQZADXCOJQYCJ-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO CN(C)C(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353172909 172357315 /nfs/dbraw/zinc/35/73/15/172357315.db2.gz UKUXFVYCDFSNCG-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CN(C)C(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353172909 172357317 /nfs/dbraw/zinc/35/73/17/172357317.db2.gz UKUXFVYCDFSNCG-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CN(C)C(=O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000336498628 172372283 /nfs/dbraw/zinc/37/22/83/172372283.db2.gz NOFPPOVTFQMLAW-UHFFFAOYSA-N 1 2 247.273 1.874 20 0 BDADLO CN(CC(C)(C)O)c1cc[nH+]c2ccncc21 ZINC000270692384 172628106 /nfs/dbraw/zinc/62/81/06/172628106.db2.gz GEIIVIYYNSNGJP-UHFFFAOYSA-N 1 2 231.299 1.837 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000119954592 173051996 /nfs/dbraw/zinc/05/19/96/173051996.db2.gz VZOXLCCCRWEUNG-ZETCQYMHSA-N 1 2 211.290 1.176 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000119954592 173051998 /nfs/dbraw/zinc/05/19/98/173051998.db2.gz VZOXLCCCRWEUNG-ZETCQYMHSA-N 1 2 211.290 1.176 20 0 BDADLO C[NH+]1CCN(C(=O)c2occ3c2CCC3)CC1 ZINC000335938679 173073076 /nfs/dbraw/zinc/07/30/76/173073076.db2.gz KXOQFWBRIRCLHY-UHFFFAOYSA-N 1 2 234.299 1.156 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2ncccc2Cl)C1 ZINC000085791186 173102998 /nfs/dbraw/zinc/10/29/98/173102998.db2.gz YTWVSTWIODPUSV-VIFPVBQESA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2ncccc2Cl)C1 ZINC000085791186 173103000 /nfs/dbraw/zinc/10/30/00/173103000.db2.gz YTWVSTWIODPUSV-VIFPVBQESA-N 1 2 241.722 1.478 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(CCC3CC3)no2)C1 ZINC000333712815 173103354 /nfs/dbraw/zinc/10/33/54/173103354.db2.gz SNXYRMPSNIYHPM-SNVBAGLBSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(CCC3CC3)no2)C1 ZINC000333712815 173103356 /nfs/dbraw/zinc/10/33/56/173103356.db2.gz SNXYRMPSNIYHPM-SNVBAGLBSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccsc2)C1 ZINC000081411007 173107928 /nfs/dbraw/zinc/10/79/28/173107928.db2.gz IGRLAHHRBKXWDA-VIFPVBQESA-N 1 2 226.301 1.017 20 0 BDADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccsc2)C1 ZINC000081411007 173107930 /nfs/dbraw/zinc/10/79/30/173107930.db2.gz IGRLAHHRBKXWDA-VIFPVBQESA-N 1 2 226.301 1.017 20 0 BDADLO C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)C1 ZINC000050920665 173124029 /nfs/dbraw/zinc/12/40/29/173124029.db2.gz VKIJPAKFUJQHLI-GFCCVEGCSA-N 1 2 234.299 1.179 20 0 BDADLO C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)C1 ZINC000050920665 173124032 /nfs/dbraw/zinc/12/40/32/173124032.db2.gz VKIJPAKFUJQHLI-GFCCVEGCSA-N 1 2 234.299 1.179 20 0 BDADLO C[N@@H+]1CC[C@H](CNc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051043228 173147280 /nfs/dbraw/zinc/14/72/80/173147280.db2.gz PLQSFUKSNBGQEV-SECBINFHSA-N 1 2 235.287 1.143 20 0 BDADLO C[N@H+]1CC[C@H](CNc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051043228 173147282 /nfs/dbraw/zinc/14/72/82/173147282.db2.gz PLQSFUKSNBGQEV-SECBINFHSA-N 1 2 235.287 1.143 20 0 BDADLO CNC(=O)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000285150096 173227834 /nfs/dbraw/zinc/22/78/34/173227834.db2.gz UCKOFTJQFKLRIS-UHFFFAOYSA-N 1 2 240.253 1.143 20 0 BDADLO CNC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000299445262 173273465 /nfs/dbraw/zinc/27/34/65/173273465.db2.gz UMQQVDJMWGGEBL-UHFFFAOYSA-N 1 2 238.306 1.782 20 0 BDADLO CNC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000299445262 173273466 /nfs/dbraw/zinc/27/34/66/173273466.db2.gz UMQQVDJMWGGEBL-UHFFFAOYSA-N 1 2 238.306 1.782 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267252457 173274412 /nfs/dbraw/zinc/27/44/12/173274412.db2.gz ZQDRFOHXWFUJEC-LLVKDONJSA-N 1 2 238.718 1.833 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267252457 173274413 /nfs/dbraw/zinc/27/44/13/173274413.db2.gz ZQDRFOHXWFUJEC-LLVKDONJSA-N 1 2 238.718 1.833 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000067228464 173275386 /nfs/dbraw/zinc/27/53/86/173275386.db2.gz ZNKPFPXMGHMHIN-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000067228464 173275387 /nfs/dbraw/zinc/27/53/87/173275387.db2.gz ZNKPFPXMGHMHIN-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299228903 173275456 /nfs/dbraw/zinc/27/54/56/173275456.db2.gz DBLWLNWDIZOWHM-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299228903 173275457 /nfs/dbraw/zinc/27/54/57/173275457.db2.gz DBLWLNWDIZOWHM-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[NH2+]Cc1c(Cl)cccc1Cl ZINC000037207257 173277091 /nfs/dbraw/zinc/27/70/91/173277091.db2.gz KQVNEKDDALMRCW-UHFFFAOYSA-N 1 2 247.125 1.829 20 0 BDADLO CNC(=O)CSCc1cn2c(cccc2C)[nH+]1 ZINC000272844905 173280017 /nfs/dbraw/zinc/28/00/17/173280017.db2.gz NPOYEWSAOAQLCQ-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000172220319 173285523 /nfs/dbraw/zinc/28/55/23/173285523.db2.gz FMGYUEKFOZZXCP-LLVKDONJSA-N 1 2 248.330 1.100 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ncc(C)s1 ZINC000180445744 173307546 /nfs/dbraw/zinc/30/75/46/173307546.db2.gz WJFLXPZRNMQUIL-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ncc(C)s1 ZINC000180445744 173307547 /nfs/dbraw/zinc/30/75/47/173307547.db2.gz WJFLXPZRNMQUIL-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714979 173310906 /nfs/dbraw/zinc/31/09/06/173310906.db2.gz MEFSZBMCDZERHN-UHFFFAOYSA-N 1 2 230.271 1.381 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C1CC1 ZINC000309633596 173803935 /nfs/dbraw/zinc/80/39/35/173803935.db2.gz IQOLWUOGNMBFEV-HTRCEHHLSA-N 1 2 239.237 1.726 20 0 BDADLO COC(C)(C)[C@@H](C)[NH2+]CC(F)(F)CO ZINC000300988717 173950129 /nfs/dbraw/zinc/95/01/29/173950129.db2.gz LKIBVUHNBGFVBK-SSDOTTSWSA-N 1 2 211.252 1.017 20 0 BDADLO COCC1=CC[N@H+](Cc2nccnc2OC)CC1 ZINC000294998257 174116834 /nfs/dbraw/zinc/11/68/34/174116834.db2.gz HPIPNAKQHVDRGD-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO COCC1=CC[N@@H+](Cc2nccnc2OC)CC1 ZINC000294998257 174116836 /nfs/dbraw/zinc/11/68/36/174116836.db2.gz HPIPNAKQHVDRGD-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO COCC1=CC[N@H+](Cc2ccon2)CC1 ZINC000185869277 174117451 /nfs/dbraw/zinc/11/74/51/174117451.db2.gz KKHIEBJKOSMMNZ-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO COCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC000185869277 174117452 /nfs/dbraw/zinc/11/74/52/174117452.db2.gz KKHIEBJKOSMMNZ-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO COCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266068359 174137287 /nfs/dbraw/zinc/13/72/87/174137287.db2.gz JQVQROZVFCZVJH-UHFFFAOYSA-N 1 2 219.244 1.309 20 0 BDADLO COCCC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356072592 174145906 /nfs/dbraw/zinc/14/59/06/174145906.db2.gz BZGBIYYCXBEHDM-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COCCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000331756732 174159300 /nfs/dbraw/zinc/15/93/00/174159300.db2.gz HVRUMXQSBSOSFU-UHFFFAOYSA-N 1 2 237.303 1.407 20 0 BDADLO COCC[N@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000042340795 174275330 /nfs/dbraw/zinc/27/53/30/174275330.db2.gz GNYCBWHJMMUGSH-UHFFFAOYSA-N 1 2 246.310 1.929 20 0 BDADLO COCC[N@@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000042340795 174275331 /nfs/dbraw/zinc/27/53/31/174275331.db2.gz GNYCBWHJMMUGSH-UHFFFAOYSA-N 1 2 246.310 1.929 20 0 BDADLO COCCN(C)c1cc[nH+]c2ccncc21 ZINC000267974894 174283117 /nfs/dbraw/zinc/28/31/17/174283117.db2.gz NSMKDUJYDJLYLP-UHFFFAOYSA-N 1 2 217.272 1.712 20 0 BDADLO COCCN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301556156 174284057 /nfs/dbraw/zinc/28/40/57/174284057.db2.gz WRZHVCYAFUXQPQ-UHFFFAOYSA-N 1 2 223.320 1.857 20 0 BDADLO COCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000028957340 174311753 /nfs/dbraw/zinc/31/17/53/174311753.db2.gz OIEBMHRWPGYXOW-ZDUSSCGKSA-N 1 2 237.299 1.412 20 0 BDADLO COCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000028957340 174311754 /nfs/dbraw/zinc/31/17/54/174311754.db2.gz OIEBMHRWPGYXOW-ZDUSSCGKSA-N 1 2 237.299 1.412 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000028957337 174312321 /nfs/dbraw/zinc/31/23/21/174312321.db2.gz OIEBMHRWPGYXOW-CYBMUJFWSA-N 1 2 237.299 1.412 20 0 BDADLO COCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000028957337 174312322 /nfs/dbraw/zinc/31/23/22/174312322.db2.gz OIEBMHRWPGYXOW-CYBMUJFWSA-N 1 2 237.299 1.412 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C)o1 ZINC000291184102 174398377 /nfs/dbraw/zinc/39/83/77/174398377.db2.gz FWOIQYFXAAZMMR-GFCCVEGCSA-N 1 2 239.315 1.825 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C)o1 ZINC000291184102 174398379 /nfs/dbraw/zinc/39/83/79/174398379.db2.gz FWOIQYFXAAZMMR-GFCCVEGCSA-N 1 2 239.315 1.825 20 0 BDADLO COC[C@H](O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000180768575 174600619 /nfs/dbraw/zinc/60/06/19/174600619.db2.gz NEFPGAOHLVYETA-LBPRGKRZSA-N 1 2 248.282 1.258 20 0 BDADLO CO[C@H](CNc1cc(C)[nH+]cn1)C(C)C ZINC000336771916 174861753 /nfs/dbraw/zinc/86/17/53/174861753.db2.gz XDYQLJZPVCOMGE-SNVBAGLBSA-N 1 2 209.293 1.290 20 0 BDADLO F[C@H]1CCCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668292392 487629532 /nfs/dbraw/zinc/62/95/32/487629532.db2.gz GDRXYEKQYYXJAZ-JTQLQIEISA-N 1 2 223.295 1.763 20 0 BDADLO COc1ccc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)cc1 ZINC000035660438 175043413 /nfs/dbraw/zinc/04/34/13/175043413.db2.gz WPFBHXIIOBYUHX-XVKPBYJWSA-N 1 2 249.270 1.126 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000267973708 175100867 /nfs/dbraw/zinc/10/08/67/175100867.db2.gz WFFSOYGCKSVOFS-STQMWFEESA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000267973708 175100869 /nfs/dbraw/zinc/10/08/69/175100869.db2.gz WFFSOYGCKSVOFS-STQMWFEESA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000362850559 175101356 /nfs/dbraw/zinc/10/13/56/175101356.db2.gz BZMZGYMNHPXIGI-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000362850559 175101357 /nfs/dbraw/zinc/10/13/57/175101357.db2.gz BZMZGYMNHPXIGI-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000267973702 175101786 /nfs/dbraw/zinc/10/17/86/175101786.db2.gz WFFSOYGCKSVOFS-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000267973702 175101788 /nfs/dbraw/zinc/10/17/88/175101788.db2.gz WFFSOYGCKSVOFS-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000154365344 175102098 /nfs/dbraw/zinc/10/20/98/175102098.db2.gz STRFUHMBDWBQEI-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000154365344 175102099 /nfs/dbraw/zinc/10/20/99/175102099.db2.gz STRFUHMBDWBQEI-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000036900237 175107914 /nfs/dbraw/zinc/10/79/14/175107914.db2.gz NOBNMRVMIKQBQX-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000036900014 175108010 /nfs/dbraw/zinc/10/80/10/175108010.db2.gz ZXHWXALQAVSPCB-UHFFFAOYSA-N 1 2 217.272 1.708 20 0 BDADLO COc1ccc2[nH+]c(C)nc(NC[C@@H](C)O)c2c1 ZINC000120493551 175227539 /nfs/dbraw/zinc/22/75/39/175227539.db2.gz MIQYXFGEKXEUMA-MRVPVSSYSA-N 1 2 247.298 1.740 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275768969 175268002 /nfs/dbraw/zinc/26/80/02/175268002.db2.gz GTWBKTREEWCNRR-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1cccc2c1[nH+]cc(C)c2N1CC(O)C1 ZINC000276319836 175299980 /nfs/dbraw/zinc/29/99/80/175299980.db2.gz PWMRRRJTKPFIKU-UHFFFAOYSA-N 1 2 244.294 1.733 20 0 BDADLO COc1ccccc1C(=O)NCc1[nH+]ccn1C ZINC000041566469 175318251 /nfs/dbraw/zinc/31/82/51/175318251.db2.gz CZKFJLLSBNAVHX-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO COc1ccccc1C[N@@H+]1CCOC[C@H]1C ZINC000091815031 175327376 /nfs/dbraw/zinc/32/73/76/175327376.db2.gz BTCOHYFDZWXBDU-LLVKDONJSA-N 1 2 221.300 1.916 20 0 BDADLO COc1ccccc1C[N@H+]1CCOC[C@H]1C ZINC000091815031 175327378 /nfs/dbraw/zinc/32/73/78/175327378.db2.gz BTCOHYFDZWXBDU-LLVKDONJSA-N 1 2 221.300 1.916 20 0 BDADLO COc1ccccc1C[NH2+]Cc1nccn1C ZINC000022863945 175330234 /nfs/dbraw/zinc/33/02/34/175330234.db2.gz AFPJTRFTDMOGEX-UHFFFAOYSA-N 1 2 231.299 1.719 20 0 BDADLO COc1ccccc1C[NH2+]Cc1nncn1C ZINC000037988995 175330664 /nfs/dbraw/zinc/33/06/64/175330664.db2.gz ZKSRBJRUUXTPEP-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC1(C)CCC1 ZINC000297607444 175369694 /nfs/dbraw/zinc/36/96/94/175369694.db2.gz FBMLGVHODKBOIL-UHFFFAOYSA-N 1 2 249.314 1.832 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1C[C@H](C)[C@@H]1C ZINC000297590296 175370194 /nfs/dbraw/zinc/37/01/94/175370194.db2.gz CZOICNNGSGOFCG-UWVGGRQHSA-N 1 2 249.314 1.640 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)SC ZINC000293311585 175371184 /nfs/dbraw/zinc/37/11/84/175371184.db2.gz JBFKBADOCRRUCM-MRVPVSSYSA-N 1 2 240.328 1.458 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CC1(C)C ZINC000293214945 175371597 /nfs/dbraw/zinc/37/15/97/175371597.db2.gz BWXQYWBDDSDOAI-JTQLQIEISA-N 1 2 234.299 1.753 20 0 BDADLO COc1ccncc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000294466227 175373152 /nfs/dbraw/zinc/37/31/52/175373152.db2.gz WJSQENMYSNSHAH-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1cc[nH+]cc1COC(=O)COC(C)C ZINC000286885517 175373455 /nfs/dbraw/zinc/37/34/55/175373455.db2.gz FTPQGOFHOWCTDA-UHFFFAOYSA-N 1 2 239.271 1.558 20 0 BDADLO COc1cc[nH+]cc1CSc1nncn1C ZINC000286430923 175373531 /nfs/dbraw/zinc/37/35/31/175373531.db2.gz DQJRJAIKUTVHOU-UHFFFAOYSA-N 1 2 236.300 1.511 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@](C)(O)C1CC1 ZINC000287116409 175374898 /nfs/dbraw/zinc/37/48/98/175374898.db2.gz WDAOKIBWISIJDU-LBPRGKRZSA-N 1 2 236.271 1.190 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cc(C)n[nH]1 ZINC000130891096 175375397 /nfs/dbraw/zinc/37/53/97/175375397.db2.gz CSRFMFSPEQYOFO-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@]1(C)CCCO1 ZINC000129601150 175375415 /nfs/dbraw/zinc/37/54/15/175375415.db2.gz DPYJCKUGAABPJM-GFCCVEGCSA-N 1 2 236.271 1.598 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(C)n(C)n1 ZINC000341939916 175376140 /nfs/dbraw/zinc/37/61/40/175376140.db2.gz BHLHJIJPEKPOCC-UHFFFAOYSA-N 1 2 246.270 1.384 20 0 BDADLO COc1ncccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000266973715 175405668 /nfs/dbraw/zinc/40/56/68/175405668.db2.gz MUYJQUFTFVGEOU-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnnn1C ZINC000356028525 176015181 /nfs/dbraw/zinc/01/51/81/176015181.db2.gz JHSRJCPATJOCPY-VIFPVBQESA-N 1 2 249.293 1.542 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnnn1C ZINC000356028525 176015184 /nfs/dbraw/zinc/01/51/84/176015184.db2.gz JHSRJCPATJOCPY-VIFPVBQESA-N 1 2 249.293 1.542 20 0 BDADLO C[C@@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000173142809 176107002 /nfs/dbraw/zinc/10/70/02/176107002.db2.gz NFIVVTTWVNKZCH-SNVBAGLBSA-N 1 2 229.283 1.959 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000357687108 176127839 /nfs/dbraw/zinc/12/78/39/176127839.db2.gz JPHAORHTOAHYHM-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000105067110 176129710 /nfs/dbraw/zinc/12/97/10/176129710.db2.gz RCUUIQHAUJXVKH-MNOVXSKESA-N 1 2 236.319 1.371 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000270917678 176155741 /nfs/dbraw/zinc/15/57/41/176155741.db2.gz DXHOEJWYERLPIQ-NEPJUHHUSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cc[nH]n2)O1 ZINC000336691548 176202571 /nfs/dbraw/zinc/20/25/71/176202571.db2.gz MYXMTCLDKJPANR-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cc[nH]n2)O1 ZINC000336691548 176202572 /nfs/dbraw/zinc/20/25/72/176202572.db2.gz MYXMTCLDKJPANR-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@](=O)[C@H](C)C2)O1 ZINC000354832497 176225850 /nfs/dbraw/zinc/22/58/50/176225850.db2.gz IHULHTUFOIDUMR-CZFOOCMKSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@](=O)[C@H](C)C2)O1 ZINC000354832497 176225852 /nfs/dbraw/zinc/22/58/52/176225852.db2.gz IHULHTUFOIDUMR-CZFOOCMKSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000356794996 176231615 /nfs/dbraw/zinc/23/16/15/176231615.db2.gz DFFNQYRUDJBCBS-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000335464490 176238395 /nfs/dbraw/zinc/23/83/95/176238395.db2.gz MMZHOGXNGZEOLG-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000335464490 176238397 /nfs/dbraw/zinc/23/83/97/176238397.db2.gz MMZHOGXNGZEOLG-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(C)(C)O1 ZINC000276608387 176241307 /nfs/dbraw/zinc/24/13/07/176241307.db2.gz PFFBBCSUNLNZRS-ORAHPGNNSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000333699230 176252651 /nfs/dbraw/zinc/25/26/51/176252651.db2.gz DBPLNGSTXCPOJP-BBBLOLIVSA-N 1 2 248.330 1.317 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000333699230 176252652 /nfs/dbraw/zinc/25/26/52/176252652.db2.gz DBPLNGSTXCPOJP-BBBLOLIVSA-N 1 2 248.330 1.317 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC000357500534 176258625 /nfs/dbraw/zinc/25/86/25/176258625.db2.gz NMGPEWHPRAQRRU-MXWKQRLJSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H](C2CC2)O1 ZINC000280545104 176302810 /nfs/dbraw/zinc/30/28/10/176302810.db2.gz JOPNUAKWTOFVCN-BXKDBHETSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H](C2CC2)O1 ZINC000280545104 176302812 /nfs/dbraw/zinc/30/28/12/176302812.db2.gz JOPNUAKWTOFVCN-BXKDBHETSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)CCO1 ZINC000299233920 176306515 /nfs/dbraw/zinc/30/65/15/176306515.db2.gz IMBZBCNODDKXDW-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)CCO1 ZINC000299233920 176306518 /nfs/dbraw/zinc/30/65/18/176306518.db2.gz IMBZBCNODDKXDW-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)CC(C)(C)O1 ZINC000177268123 176310717 /nfs/dbraw/zinc/31/07/17/176310717.db2.gz OUUVKSVPOMUBPS-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)CC(C)(C)O1 ZINC000177268123 176310719 /nfs/dbraw/zinc/31/07/19/176310719.db2.gz OUUVKSVPOMUBPS-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CC(C)(C)O1 ZINC000177268123 176310721 /nfs/dbraw/zinc/31/07/21/176310721.db2.gz OUUVKSVPOMUBPS-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228238 176315999 /nfs/dbraw/zinc/31/59/99/176315999.db2.gz OFTZEGHTUSNPTE-NOZJJQNGSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228238 176316000 /nfs/dbraw/zinc/31/60/00/176316000.db2.gz OFTZEGHTUSNPTE-NOZJJQNGSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296243388 176317288 /nfs/dbraw/zinc/31/72/88/176317288.db2.gz PAQCSIBLAURDAT-NXEZZACHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296243388 176317289 /nfs/dbraw/zinc/31/72/89/176317289.db2.gz PAQCSIBLAURDAT-NXEZZACHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330991913 176317930 /nfs/dbraw/zinc/31/79/30/176317930.db2.gz SONWRYRZHGIAQJ-CKYFFXLPSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330991913 176317931 /nfs/dbraw/zinc/31/79/31/176317931.db2.gz SONWRYRZHGIAQJ-CKYFFXLPSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCCO1 ZINC000334055495 176319230 /nfs/dbraw/zinc/31/92/30/176319230.db2.gz UWDDXWJJRLKXML-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCCO1 ZINC000334055495 176319232 /nfs/dbraw/zinc/31/92/32/176319232.db2.gz UWDDXWJJRLKXML-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@@H]1COCCN1c1[nH]c2ccccc2[nH+]1 ZINC000270616285 176337415 /nfs/dbraw/zinc/33/74/15/176337415.db2.gz ZJTSZRBHLFWTJJ-SECBINFHSA-N 1 2 217.272 1.788 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1cnns1 ZINC000295124575 176351304 /nfs/dbraw/zinc/35/13/04/176351304.db2.gz XHVVQBALFGZDJS-SSDOTTSWSA-N 1 2 215.347 1.475 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1cnns1 ZINC000295124575 176351305 /nfs/dbraw/zinc/35/13/05/176351305.db2.gz XHVVQBALFGZDJS-SSDOTTSWSA-N 1 2 215.347 1.475 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)CO1 ZINC000333345590 176357682 /nfs/dbraw/zinc/35/76/82/176357682.db2.gz UPXJVVAPFWHZLT-GMTAPVOTSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371444007 176385342 /nfs/dbraw/zinc/38/53/42/176385342.db2.gz VEOOQEUORXVITN-KXUCPTDWSA-N 1 2 219.288 1.729 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365510030 176385426 /nfs/dbraw/zinc/38/54/26/176385426.db2.gz BLGWAAMNRDRIAK-RTXFEEFZSA-N 1 2 246.310 1.717 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366562871 176387295 /nfs/dbraw/zinc/38/72/95/176387295.db2.gz AIXGFEJNPOELGL-VGMNWLOBSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366562871 176387297 /nfs/dbraw/zinc/38/72/97/176387297.db2.gz AIXGFEJNPOELGL-VGMNWLOBSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000355942056 176390804 /nfs/dbraw/zinc/39/08/04/176390804.db2.gz SWBWQOXVUCRDKG-GMTAPVOTSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)C(F)(F)F ZINC000339433109 176559267 /nfs/dbraw/zinc/55/92/67/176559267.db2.gz JMQAEMSAFCIYFQ-SSDOTTSWSA-N 1 2 249.236 1.577 20 0 BDADLO C[C@H](c1ccccc1)[N@H+](C)CCS(C)(=O)=O ZINC000066696335 177037948 /nfs/dbraw/zinc/03/79/48/177037948.db2.gz WZMGXSZVBTZGGS-LLVKDONJSA-N 1 2 241.356 1.724 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+](C)CCS(C)(=O)=O ZINC000066696335 177037949 /nfs/dbraw/zinc/03/79/49/177037949.db2.gz WZMGXSZVBTZGGS-LLVKDONJSA-N 1 2 241.356 1.724 20 0 BDADLO C[C@H](c1ccccn1)[NH+]1CCN(C)CC1 ZINC000095934737 177043722 /nfs/dbraw/zinc/04/37/22/177043722.db2.gz XMVKXIAPCYQCTO-LLVKDONJSA-N 1 2 205.305 1.390 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)C1CC(O)C1 ZINC000329522436 177053283 /nfs/dbraw/zinc/05/32/83/177053283.db2.gz PKXATFRBOOIZBQ-CUUXFQNZSA-N 1 2 237.303 1.463 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)C1CC(O)C1 ZINC000329522436 177053285 /nfs/dbraw/zinc/05/32/85/177053285.db2.gz PKXATFRBOOIZBQ-CUUXFQNZSA-N 1 2 237.303 1.463 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCc2ccsc2C1 ZINC000287918388 177054549 /nfs/dbraw/zinc/05/45/49/177054549.db2.gz WABJDOQCRSDWLW-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCc2ccsc2C1 ZINC000287918388 177054551 /nfs/dbraw/zinc/05/45/51/177054551.db2.gz WABJDOQCRSDWLW-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCc2[nH+]ccn2C)C1 ZINC000267852911 177067189 /nfs/dbraw/zinc/06/71/89/177067189.db2.gz LURXYYYEPCTUPA-NGPGYTDTSA-N 1 2 233.315 1.783 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336530121 177073205 /nfs/dbraw/zinc/07/32/05/177073205.db2.gz ZLRJCNRNZVWKMT-IUCAKERBSA-N 1 2 232.274 1.385 20 0 BDADLO C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000076830012 177086816 /nfs/dbraw/zinc/08/68/16/177086816.db2.gz KQFIUDCMISPVNG-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(F)C2)C1 ZINC000335290306 177092048 /nfs/dbraw/zinc/09/20/48/177092048.db2.gz YCIPGXLFPAGZRL-WCQYABFASA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(F)C2)C1 ZINC000335290306 177092049 /nfs/dbraw/zinc/09/20/49/177092049.db2.gz YCIPGXLFPAGZRL-WCQYABFASA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336777721 177118649 /nfs/dbraw/zinc/11/86/49/177118649.db2.gz JIMZVJWXLZJAQF-MBTKJCJQSA-N 1 2 224.308 1.425 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000120137103 177129385 /nfs/dbraw/zinc/12/93/85/177129385.db2.gz MXJANEJZAONUBS-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000267751264 177150054 /nfs/dbraw/zinc/15/00/54/177150054.db2.gz PDWCYDGNRWRGPB-VHSXEESVSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@H]1CCN(c2cccc[nH+]2)CC[S@]1=O ZINC000276968099 177172279 /nfs/dbraw/zinc/17/22/79/177172279.db2.gz DKCWRQNYRFSTLO-ZUZCIYMTSA-N 1 2 224.329 1.429 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000336536572 177196102 /nfs/dbraw/zinc/19/61/02/177196102.db2.gz BEFVLYNKDSNTEL-UWVGGRQHSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000360474546 177202414 /nfs/dbraw/zinc/20/24/14/177202414.db2.gz PWRRLPHYTNRVHN-QWRGUYRKSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H](C)[S@@]1=O ZINC000336357656 177246345 /nfs/dbraw/zinc/24/63/45/177246345.db2.gz YCOHKTMJRNZDPQ-LVQIXWTDSA-N 1 2 243.294 1.780 20 0 BDADLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H](C)[S@@]1=O ZINC000336357656 177246347 /nfs/dbraw/zinc/24/63/47/177246347.db2.gz YCOHKTMJRNZDPQ-LVQIXWTDSA-N 1 2 243.294 1.780 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)O1 ZINC000362090710 177257323 /nfs/dbraw/zinc/25/73/23/177257323.db2.gz ZTBUDYJVXCSVDC-JRDJEQCOSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)O1 ZINC000362090710 177257324 /nfs/dbraw/zinc/25/73/24/177257324.db2.gz ZTBUDYJVXCSVDC-JRDJEQCOSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CCC1=O ZINC000275255534 177264754 /nfs/dbraw/zinc/26/47/54/177264754.db2.gz PVSDCDFODLKVAC-JTQLQIEISA-N 1 2 246.310 1.196 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CCC1=O ZINC000275255534 177264755 /nfs/dbraw/zinc/26/47/55/177264755.db2.gz PVSDCDFODLKVAC-JTQLQIEISA-N 1 2 246.310 1.196 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnn2ccccc12 ZINC000179519189 177268856 /nfs/dbraw/zinc/26/88/56/177268856.db2.gz KCXSALHLLVUHRH-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnn2ccccc12 ZINC000179519189 177268858 /nfs/dbraw/zinc/26/88/58/177268858.db2.gz KCXSALHLLVUHRH-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@@H](C)C1 ZINC000184392729 177274246 /nfs/dbraw/zinc/27/42/46/177274246.db2.gz DDYTVFXIJMVAKC-UWVGGRQHSA-N 1 2 207.277 1.258 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@@H](C)C1 ZINC000184392729 177274248 /nfs/dbraw/zinc/27/42/48/177274248.db2.gz DDYTVFXIJMVAKC-UWVGGRQHSA-N 1 2 207.277 1.258 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](C)C1 ZINC000299188084 177275914 /nfs/dbraw/zinc/27/59/14/177275914.db2.gz CMNGOVSSHLPQQU-WDEREUQCSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](C)C1 ZINC000299188084 177275915 /nfs/dbraw/zinc/27/59/15/177275915.db2.gz CMNGOVSSHLPQQU-WDEREUQCSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000351500870 177277892 /nfs/dbraw/zinc/27/78/92/177277892.db2.gz GQHWIFRHRXZTIA-KWQFWETISA-N 1 2 217.272 1.380 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307933512 177292921 /nfs/dbraw/zinc/29/29/21/177292921.db2.gz GPGZDYRHQRYQHK-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307933512 177292922 /nfs/dbraw/zinc/29/29/22/177292922.db2.gz GPGZDYRHQRYQHK-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)CO1 ZINC000276538751 177300992 /nfs/dbraw/zinc/30/09/92/177300992.db2.gz FVDSWRIKSZAULG-FCVPOFOPSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000298418988 177343377 /nfs/dbraw/zinc/34/33/77/177343377.db2.gz QOXSANCITZTWDY-WDEREUQCSA-N 1 2 243.310 1.649 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264604786 177344612 /nfs/dbraw/zinc/34/46/12/177344612.db2.gz YVMPIMZITAUHKW-GXSJLCMTSA-N 1 2 229.283 1.720 20 0 BDADLO C[C@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CCC1=O ZINC000328997051 177353350 /nfs/dbraw/zinc/35/33/50/177353350.db2.gz UQHXBZCLHSHTTI-DTWKUNHWSA-N 1 2 248.282 1.153 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982532 177373539 /nfs/dbraw/zinc/37/35/39/177373539.db2.gz DLXRYOCVSPKMDT-IUCAKERBSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982532 177373541 /nfs/dbraw/zinc/37/35/41/177373541.db2.gz DLXRYOCVSPKMDT-IUCAKERBSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279175652 177379544 /nfs/dbraw/zinc/37/95/44/177379544.db2.gz JROYZDJFOYJRME-IUCAKERBSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCOCC1CC1 ZINC000357877446 177415797 /nfs/dbraw/zinc/41/57/97/177415797.db2.gz ZUYRFYDKJOJENV-OHUAYANFSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCOCC1CC1 ZINC000357877446 177415798 /nfs/dbraw/zinc/41/57/98/177415798.db2.gz ZUYRFYDKJOJENV-OHUAYANFSA-N 1 2 245.388 1.254 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)[C@@H]2CCCCO2)c[nH+]1 ZINC000272180492 487643194 /nfs/dbraw/zinc/64/31/94/487643194.db2.gz YXNVMGYXURVJMW-KCJUWKMLSA-N 1 2 237.303 1.406 20 0 BDADLO CO[C@@H](C(=O)Nc1cccc2[nH+]ccn21)C(C)C ZINC000472354461 225097463 /nfs/dbraw/zinc/09/74/63/225097463.db2.gz YPDTYMALZZRJQZ-GFCCVEGCSA-N 1 2 247.298 1.944 20 0 BDADLO Cc1nc(N(C)C2CCCC2)nc(N(C)C)[nH+]1 ZINC000488391214 225388725 /nfs/dbraw/zinc/38/87/25/225388725.db2.gz BTSQOJGWCMFXEW-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)C2CCCC2)[nH+]1 ZINC000488391214 225388729 /nfs/dbraw/zinc/38/87/29/225388729.db2.gz BTSQOJGWCMFXEW-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(NCCCC(C)C)[nH+]1 ZINC000488393942 225388999 /nfs/dbraw/zinc/38/89/99/225388999.db2.gz HGDQOUUGIHEBSD-UHFFFAOYSA-N 1 2 237.351 1.516 20 0 BDADLO Cc1nc(NCCCC(C)C)nc(N(C)C)[nH+]1 ZINC000488393942 225389003 /nfs/dbraw/zinc/38/90/03/225389003.db2.gz HGDQOUUGIHEBSD-UHFFFAOYSA-N 1 2 237.351 1.516 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668320865 487646295 /nfs/dbraw/zinc/64/62/95/487646295.db2.gz IYKJJXKIYPMJQV-VWYCJHECSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668320865 487646302 /nfs/dbraw/zinc/64/63/02/487646302.db2.gz IYKJJXKIYPMJQV-VWYCJHECSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763871 226048250 /nfs/dbraw/zinc/04/82/50/226048250.db2.gz JPKACWGHGQDCBD-WTSWQZHKSA-N 1 2 205.261 1.432 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccncc1 ZINC000492822491 226060003 /nfs/dbraw/zinc/06/00/03/226060003.db2.gz JQQOKMFIGICUIG-OWOJBTEDSA-N 1 2 228.255 1.134 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(O)cc1 ZINC000492864673 226069767 /nfs/dbraw/zinc/06/97/67/226069767.db2.gz NROVODVSDWARHY-UTCJRWHESA-N 1 2 243.266 1.445 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC(F)(F)F ZINC000492869124 226071892 /nfs/dbraw/zinc/07/18/92/226071892.db2.gz UJARCYWTXSPBDL-UPHRSURJSA-N 1 2 233.193 1.492 20 0 BDADLO COC1(CCNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493297393 226178884 /nfs/dbraw/zinc/17/88/84/226178884.db2.gz DFVYWDCWROZOPU-ARJAWSKDSA-N 1 2 249.314 1.498 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1nccs1 ZINC000493082252 226120809 /nfs/dbraw/zinc/12/08/09/226120809.db2.gz HPYAPDAKDSMOPZ-IHWYPQMZSA-N 1 2 234.284 1.542 20 0 BDADLO CO[C@@H]([C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493476075 226226925 /nfs/dbraw/zinc/22/69/25/226226925.db2.gz CGKWUBXJKLPTHC-OTDQVHIESA-N 1 2 249.314 1.353 20 0 BDADLO CO[C@@H]([C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493476073 226227223 /nfs/dbraw/zinc/22/72/23/226227223.db2.gz CGKWUBXJKLPTHC-CFQAULHUSA-N 1 2 249.314 1.353 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(F)(F)F ZINC000493560422 226243493 /nfs/dbraw/zinc/24/34/93/226243493.db2.gz RTYOHLUEUNBLNX-OWOJBTEDSA-N 1 2 219.166 1.101 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](F)C1 ZINC000493616211 226246231 /nfs/dbraw/zinc/24/62/31/226246231.db2.gz NXAVVTOCMQJERC-HUGTUPKYSA-N 1 2 223.251 1.430 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000493623637 226246533 /nfs/dbraw/zinc/24/65/33/226246533.db2.gz ZZOCHMHCODRDIG-NNOMMRTBSA-N 1 2 249.314 1.354 20 0 BDADLO CO[C@@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1(C)C ZINC000493702365 226250178 /nfs/dbraw/zinc/25/01/78/226250178.db2.gz AZCQXEFKUSRXIP-NUNSBDKSSA-N 1 2 249.314 1.353 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCC=CO1 ZINC000493715682 226250633 /nfs/dbraw/zinc/25/06/33/226250633.db2.gz BDKHQSRSPOXZBI-YEZKRMTDSA-N 1 2 233.271 1.232 20 0 BDADLO CO[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1(C)C ZINC000493757812 226252865 /nfs/dbraw/zinc/25/28/65/226252865.db2.gz PBOSCKYXDHIWFT-XKFHPXPTSA-N 1 2 249.314 1.353 20 0 BDADLO CSCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493763302 226252937 /nfs/dbraw/zinc/25/29/37/226252937.db2.gz YSLONTRCIMFTSP-ARJAWSKDSA-N 1 2 225.317 1.244 20 0 BDADLO COC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493782771 226253873 /nfs/dbraw/zinc/25/38/73/226253873.db2.gz GYEVPNUFCBSZJA-ONEGZZNKSA-N 1 2 235.287 1.108 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493824858 226256119 /nfs/dbraw/zinc/25/61/19/226256119.db2.gz PDLRBONIVOIDKJ-ROSGPLSXSA-N 1 2 219.288 1.728 20 0 BDADLO C[C@@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCCO1 ZINC000493843149 226256729 /nfs/dbraw/zinc/25/67/29/226256729.db2.gz JCLKLLZEGRGRSH-PCAWENJQSA-N 1 2 235.287 1.108 20 0 BDADLO CO[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493847655 226257047 /nfs/dbraw/zinc/25/70/47/226257047.db2.gz PKLJUXKANDVJJR-YEZKRMTDSA-N 1 2 237.303 1.210 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2nncn2C)ccn1 ZINC000494788142 226269679 /nfs/dbraw/zinc/26/96/79/226269679.db2.gz PBHJXZXEZBTMOI-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H](CO)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000494893300 226271102 /nfs/dbraw/zinc/27/11/02/226271102.db2.gz NBPRCQKMPQXYBU-KOLCDFICSA-N 1 2 238.335 1.397 20 0 BDADLO O=C1NC2(CO1)CCN(c1cccc[nH+]1)CC2 ZINC000495031295 226274631 /nfs/dbraw/zinc/27/46/31/226274631.db2.gz MFCSEYKSSSWJOX-UHFFFAOYSA-N 1 2 233.271 1.160 20 0 BDADLO COC1(CO)CCN(c2cccc[nH+]2)CC1 ZINC000401815250 226362357 /nfs/dbraw/zinc/36/23/57/226362357.db2.gz HXHIFSSUYVEPSO-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000507371285 226368645 /nfs/dbraw/zinc/36/86/45/226368645.db2.gz ZBUCMQIKQVNLPX-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000507371285 226368646 /nfs/dbraw/zinc/36/86/46/226368646.db2.gz ZBUCMQIKQVNLPX-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cncc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000680828988 487654061 /nfs/dbraw/zinc/65/40/61/487654061.db2.gz TUUMRTRTRQHQTO-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@H+](CC(F)F)C[C@H]2C1 ZINC000306849075 487657912 /nfs/dbraw/zinc/65/79/12/487657912.db2.gz MRRQRUZMVTVCQB-DJLDLDEBSA-N 1 2 205.248 1.344 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@@H+](CC(F)F)C[C@H]2C1 ZINC000306849075 487657915 /nfs/dbraw/zinc/65/79/15/487657915.db2.gz MRRQRUZMVTVCQB-DJLDLDEBSA-N 1 2 205.248 1.344 20 0 BDADLO Cc1c(NC(=O)CCCn2cc[nH+]c2)cnn1C ZINC000674968524 487662649 /nfs/dbraw/zinc/66/26/49/487662649.db2.gz JKKKNRWPMNCXMI-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO CC(C)(CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674985427 487663156 /nfs/dbraw/zinc/66/31/56/487663156.db2.gz KQRVOJSAGLAFDR-UHFFFAOYSA-N 1 2 248.286 1.227 20 0 BDADLO CC(C)COCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000669691451 487666753 /nfs/dbraw/zinc/66/67/53/487666753.db2.gz BVBSARTWLBETHO-UHFFFAOYSA-N 1 2 223.320 1.440 20 0 BDADLO CC(C)COCC[N@H+]1CCc2cn[nH]c2C1 ZINC000669691451 487666757 /nfs/dbraw/zinc/66/67/57/487666757.db2.gz BVBSARTWLBETHO-UHFFFAOYSA-N 1 2 223.320 1.440 20 0 BDADLO CC(C)COCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000669691451 487666761 /nfs/dbraw/zinc/66/67/61/487666761.db2.gz BVBSARTWLBETHO-UHFFFAOYSA-N 1 2 223.320 1.440 20 0 BDADLO CC(C)COCC[N@H+]1CCc2c[nH]nc2C1 ZINC000669691451 487666767 /nfs/dbraw/zinc/66/67/67/487666767.db2.gz BVBSARTWLBETHO-UHFFFAOYSA-N 1 2 223.320 1.440 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@]23C[C@@H]2CCC3)c1 ZINC000665109274 487668062 /nfs/dbraw/zinc/66/80/62/487668062.db2.gz HDUBLPOKKVFERL-GWCFXTLKSA-N 1 2 248.330 1.204 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccoc1C ZINC000666295149 487682026 /nfs/dbraw/zinc/68/20/26/487682026.db2.gz SUKAWVNHUZWVHE-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccoc1C ZINC000666295149 487682033 /nfs/dbraw/zinc/68/20/33/487682033.db2.gz SUKAWVNHUZWVHE-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000152012923 487682448 /nfs/dbraw/zinc/68/24/48/487682448.db2.gz JUYWPPICHOJTRN-SNVBAGLBSA-N 1 2 241.312 1.122 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000152012923 487682453 /nfs/dbraw/zinc/68/24/53/487682453.db2.gz JUYWPPICHOJTRN-SNVBAGLBSA-N 1 2 241.312 1.122 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000669696555 487689910 /nfs/dbraw/zinc/68/99/10/487689910.db2.gz VWLSHZHSHGJZSY-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](CO)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000669696555 487689912 /nfs/dbraw/zinc/68/99/12/487689912.db2.gz VWLSHZHSHGJZSY-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CCC[C@H](CNc1cc(C)[nH+]cn1)OCC ZINC000528080312 262904474 /nfs/dbraw/zinc/90/44/74/262904474.db2.gz IHEYOYVZYMPZMB-LLVKDONJSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1cocc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000528265709 262910125 /nfs/dbraw/zinc/91/01/25/262910125.db2.gz DZQIFMWEFRMVQF-UHFFFAOYSA-N 1 2 234.299 1.508 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671709442 487702000 /nfs/dbraw/zinc/70/20/00/487702000.db2.gz DZRCKZCBQNVXIB-CIUDSAMLSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671709442 487702004 /nfs/dbraw/zinc/70/20/04/487702004.db2.gz DZRCKZCBQNVXIB-CIUDSAMLSA-N 1 2 241.253 1.266 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671710507 487702464 /nfs/dbraw/zinc/70/24/64/487702464.db2.gz GNPHWWSJTCBKGC-HLTSFMKQSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671710507 487702468 /nfs/dbraw/zinc/70/24/68/487702468.db2.gz GNPHWWSJTCBKGC-HLTSFMKQSA-N 1 2 241.253 1.673 20 0 BDADLO COCCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671709299 487702629 /nfs/dbraw/zinc/70/26/29/487702629.db2.gz ARZGAINXPJXQSG-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671709299 487702632 /nfs/dbraw/zinc/70/26/32/487702632.db2.gz ARZGAINXPJXQSG-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671711287 487702913 /nfs/dbraw/zinc/70/29/13/487702913.db2.gz YRHQBZRFCDYITD-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671711287 487702917 /nfs/dbraw/zinc/70/29/17/487702917.db2.gz YRHQBZRFCDYITD-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCCO ZINC000671715235 487704401 /nfs/dbraw/zinc/70/44/01/487704401.db2.gz SZSLXZQJFVALJW-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCCO ZINC000671715235 487704408 /nfs/dbraw/zinc/70/44/08/487704408.db2.gz SZSLXZQJFVALJW-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)c(C)n1 ZINC000681057799 487709286 /nfs/dbraw/zinc/70/92/86/487709286.db2.gz XCTVMOKKOSRGGC-SECBINFHSA-N 1 2 244.285 1.977 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003394 584717031 /nfs/dbraw/zinc/71/70/31/584717031.db2.gz NHCKTQXYMLBDAJ-SNVBAGLBSA-N 1 2 216.300 1.289 20 0 BDADLO CCC1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665693198 487732590 /nfs/dbraw/zinc/73/25/90/487732590.db2.gz CBGMDDGTMVONIN-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CCC1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665693198 487732593 /nfs/dbraw/zinc/73/25/93/487732593.db2.gz CBGMDDGTMVONIN-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO C[C@@H]1CCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665698734 487733310 /nfs/dbraw/zinc/73/33/10/487733310.db2.gz RXEMSAXBZCEUJS-RKDXNWHRSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@@H]1CCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665698734 487733313 /nfs/dbraw/zinc/73/33/13/487733313.db2.gz RXEMSAXBZCEUJS-RKDXNWHRSA-N 1 2 234.303 1.881 20 0 BDADLO CC(C)[C@@H]1CCCN1c1nc[nH+]c2c1OCCN2 ZINC000665694757 487733204 /nfs/dbraw/zinc/73/32/04/487733204.db2.gz KEJJKRJETIRPPT-JTQLQIEISA-N 1 2 248.330 1.906 20 0 BDADLO CC(C)[C@@H]1CCCN1c1[nH+]cnc2c1OCCN2 ZINC000665694757 487733208 /nfs/dbraw/zinc/73/32/08/487733208.db2.gz KEJJKRJETIRPPT-JTQLQIEISA-N 1 2 248.330 1.906 20 0 BDADLO C[C@H]1CCC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665698733 487733529 /nfs/dbraw/zinc/73/35/29/487733529.db2.gz RXEMSAXBZCEUJS-IUCAKERBSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@H]1CCC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665698733 487733534 /nfs/dbraw/zinc/73/35/34/487733534.db2.gz RXEMSAXBZCEUJS-IUCAKERBSA-N 1 2 234.303 1.881 20 0 BDADLO Cc1cccc(C[NH2+]Cc2ncnn2C(C)C)n1 ZINC000088591367 487736848 /nfs/dbraw/zinc/73/68/48/487736848.db2.gz WCYPCEVMUFPJJB-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO C[C@H]1CC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665719260 487738816 /nfs/dbraw/zinc/73/88/16/487738816.db2.gz QFDGUPTVJWCFAZ-JGVFFNPUSA-N 1 2 220.276 1.491 20 0 BDADLO CC1=CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665716503 487738874 /nfs/dbraw/zinc/73/88/74/487738874.db2.gz KBDSWXKNJWCXSU-UHFFFAOYSA-N 1 2 232.287 1.437 20 0 BDADLO CC1=CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665716503 487738877 /nfs/dbraw/zinc/73/88/77/487738877.db2.gz KBDSWXKNJWCXSU-UHFFFAOYSA-N 1 2 232.287 1.437 20 0 BDADLO C[C@H]1CC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665719260 487738811 /nfs/dbraw/zinc/73/88/11/487738811.db2.gz QFDGUPTVJWCFAZ-JGVFFNPUSA-N 1 2 220.276 1.491 20 0 BDADLO CCOC1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000675515908 487744569 /nfs/dbraw/zinc/74/45/69/487744569.db2.gz QGZIFADTGSTHQI-UHFFFAOYSA-N 1 2 236.319 1.060 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667830403 487746019 /nfs/dbraw/zinc/74/60/19/487746019.db2.gz ORJWXJFVYSLQJP-NXEZZACHSA-N 1 2 233.315 1.383 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667830403 487746023 /nfs/dbraw/zinc/74/60/23/487746023.db2.gz ORJWXJFVYSLQJP-NXEZZACHSA-N 1 2 233.315 1.383 20 0 BDADLO Cc1cc(NCCC2(CO)CCC2)nc[nH+]1 ZINC000651466366 487747718 /nfs/dbraw/zinc/74/77/18/487747718.db2.gz WLHURHPTEVASJU-UHFFFAOYSA-N 1 2 221.304 1.172 20 0 BDADLO Cc1nn(Cc2c[nH+]cn2C)cc1C(F)(F)F ZINC000649447329 487747736 /nfs/dbraw/zinc/74/77/36/487747736.db2.gz ZOPZFFBYZMRFOD-UHFFFAOYSA-N 1 2 244.220 1.992 20 0 BDADLO C[C@H]1C[N@H+](CCSC(F)(F)F)CCN1C ZINC000886092479 585037049 /nfs/dbraw/zinc/03/70/49/585037049.db2.gz XZDARRMVVLWIPM-QMMMGPOBSA-N 1 2 242.310 1.875 20 0 BDADLO C[C@H]1C[N@@H+](CCSC(F)(F)F)CCN1C ZINC000886092479 585037050 /nfs/dbraw/zinc/03/70/50/585037050.db2.gz XZDARRMVVLWIPM-QMMMGPOBSA-N 1 2 242.310 1.875 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccco1 ZINC000290326618 487750536 /nfs/dbraw/zinc/75/05/36/487750536.db2.gz CCDZTBMUVLAOIH-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccco1 ZINC000290326618 487750538 /nfs/dbraw/zinc/75/05/38/487750538.db2.gz CCDZTBMUVLAOIH-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CC1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000684086364 487761609 /nfs/dbraw/zinc/76/16/09/487761609.db2.gz GKLLUSIDPGFANI-JTQLQIEISA-N 1 2 233.315 1.314 20 0 BDADLO CC[C@H](CC(F)(F)F)Nc1nc(C)[nH+]c(N)n1 ZINC000631216917 487762394 /nfs/dbraw/zinc/76/23/94/487762394.db2.gz CZWNIVHGTQSHPV-ZCFIWIBFSA-N 1 2 249.240 1.735 20 0 BDADLO CC[C@H](CC(F)(F)F)Nc1nc(N)nc(C)[nH+]1 ZINC000631216917 487762397 /nfs/dbraw/zinc/76/23/97/487762397.db2.gz CZWNIVHGTQSHPV-ZCFIWIBFSA-N 1 2 249.240 1.735 20 0 BDADLO CCOC1(C)CN(c2cc(C)[nH+]cn2)C1 ZINC000450582380 487764069 /nfs/dbraw/zinc/76/40/69/487764069.db2.gz RXTIUAMSBCIOOR-UHFFFAOYSA-N 1 2 207.277 1.400 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](CCC(F)(F)F)C1 ZINC000752091264 585242289 /nfs/dbraw/zinc/24/22/89/585242289.db2.gz HJBHMSXGRYGUPC-QMMMGPOBSA-N 1 2 243.200 1.526 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](CCC(F)(F)F)C1 ZINC000752091264 585242290 /nfs/dbraw/zinc/24/22/90/585242290.db2.gz HJBHMSXGRYGUPC-QMMMGPOBSA-N 1 2 243.200 1.526 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000111246855 487772183 /nfs/dbraw/zinc/77/21/83/487772183.db2.gz CUFYOQZVFFMBSP-WCQYABFASA-N 1 2 243.347 1.877 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356129 487782699 /nfs/dbraw/zinc/78/26/99/487782699.db2.gz KSTXSKSLXHWRGZ-MNOVXSKESA-N 1 2 247.342 1.800 20 0 BDADLO Cc1ccoc1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356406 487782757 /nfs/dbraw/zinc/78/27/57/487782757.db2.gz WZSJXLGGFNISST-UHFFFAOYSA-N 1 2 245.282 1.723 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679221672 487784652 /nfs/dbraw/zinc/78/46/52/487784652.db2.gz LSTHPEOLTVGOTQ-VHSXEESVSA-N 1 2 216.300 1.145 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679221672 487784656 /nfs/dbraw/zinc/78/46/56/487784656.db2.gz LSTHPEOLTVGOTQ-VHSXEESVSA-N 1 2 216.300 1.145 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226471 487789478 /nfs/dbraw/zinc/78/94/78/487789478.db2.gz SEHIFZPVHFHRPP-FXPVBKGRSA-N 1 2 228.311 1.333 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226471 487789482 /nfs/dbraw/zinc/78/94/82/487789482.db2.gz SEHIFZPVHFHRPP-FXPVBKGRSA-N 1 2 228.311 1.333 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2cnccc2o1 ZINC000651626916 487802612 /nfs/dbraw/zinc/80/26/12/487802612.db2.gz FJTGYNMVYCKZAF-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000651626916 487802616 /nfs/dbraw/zinc/80/26/16/487802616.db2.gz FJTGYNMVYCKZAF-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1ncc[nH]1 ZINC000676042033 487804487 /nfs/dbraw/zinc/80/44/87/487804487.db2.gz DUQJYGYOTNPYEP-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1ncc[nH]1 ZINC000676042033 487804489 /nfs/dbraw/zinc/80/44/89/487804489.db2.gz DUQJYGYOTNPYEP-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO OCC1([NH2+]Cc2n[nH]c3ccccc32)CCC1 ZINC000676045171 487804571 /nfs/dbraw/zinc/80/45/71/487804571.db2.gz DPINGQPJGLWJHX-UHFFFAOYSA-N 1 2 231.299 1.568 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H](C)C2CC2)[nH+]1 ZINC000676078449 487810254 /nfs/dbraw/zinc/81/02/54/487810254.db2.gz GENHOGTUDMUQIL-MRVPVSSYSA-N 1 2 235.335 1.704 20 0 BDADLO Cc1nc(NC[C@@H](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000676078449 487810262 /nfs/dbraw/zinc/81/02/62/487810262.db2.gz GENHOGTUDMUQIL-MRVPVSSYSA-N 1 2 235.335 1.704 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCOC[C@H]1C ZINC000678274574 487814594 /nfs/dbraw/zinc/81/45/94/487814594.db2.gz QDPHNEQFZORDDC-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCOC[C@H]1C ZINC000678274574 487814598 /nfs/dbraw/zinc/81/45/98/487814598.db2.gz QDPHNEQFZORDDC-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC=CCC1 ZINC000651680985 487816720 /nfs/dbraw/zinc/81/67/20/487816720.db2.gz ZYESJPWSOXXKJS-UHFFFAOYSA-N 1 2 245.326 1.550 20 0 BDADLO CC1(C)C[C@@H]([NH2+]Cc2csnn2)CO1 ZINC000307579459 487817052 /nfs/dbraw/zinc/81/70/52/487817052.db2.gz VALWJOTYOSUMPC-SSDOTTSWSA-N 1 2 213.306 1.195 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C1(CO)CC1 ZINC000666493665 487820618 /nfs/dbraw/zinc/82/06/18/487820618.db2.gz LRXYGCJMZXTHCG-JTQLQIEISA-N 1 2 249.314 1.094 20 0 BDADLO NC(=O)c1cccc(C[NH+]2CC(C(F)F)C2)c1 ZINC000676222700 487823038 /nfs/dbraw/zinc/82/30/38/487823038.db2.gz ZMQBOBDVJZDYDK-UHFFFAOYSA-N 1 2 240.253 1.482 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](n3cncn3)C2)s1 ZINC000681603998 487823595 /nfs/dbraw/zinc/82/35/95/487823595.db2.gz HZPKNYSPPNTOFR-SNVBAGLBSA-N 1 2 249.343 1.490 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](n3cncn3)C2)s1 ZINC000681603998 487823597 /nfs/dbraw/zinc/82/35/97/487823597.db2.gz HZPKNYSPPNTOFR-SNVBAGLBSA-N 1 2 249.343 1.490 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000676241318 487828325 /nfs/dbraw/zinc/82/83/25/487828325.db2.gz QXGDNTZCFRRPAK-VXGBXAGGSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000676241318 487828330 /nfs/dbraw/zinc/82/83/30/487828330.db2.gz QXGDNTZCFRRPAK-VXGBXAGGSA-N 1 2 234.274 1.461 20 0 BDADLO Cc1ncc([C@@H](C)[NH+]2CCOCC2)c(C)n1 ZINC000681639641 487829055 /nfs/dbraw/zinc/82/90/55/487829055.db2.gz AKFBZJFRSJILHL-SNVBAGLBSA-N 1 2 221.304 1.487 20 0 BDADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1F ZINC000679259050 487836028 /nfs/dbraw/zinc/83/60/28/487836028.db2.gz ZBZSNYODUYBPKL-QWRGUYRKSA-N 1 2 239.294 1.480 20 0 BDADLO CCN(CC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000573105007 322950294 /nfs/dbraw/zinc/95/02/94/322950294.db2.gz XEELHQNRCJMTFA-ZJUUUORDSA-N 1 2 236.319 1.940 20 0 BDADLO OC[C@@H]([NH2+]CC(F)(F)C(F)F)C1CC1 ZINC000308504833 631412945 /nfs/dbraw/zinc/41/29/45/631412945.db2.gz DDKFHHHNUDNVSF-ZCFIWIBFSA-N 1 2 215.190 1.247 20 0 BDADLO CCc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000676412868 487849065 /nfs/dbraw/zinc/84/90/65/487849065.db2.gz CRMUTUDMHARONV-WDEREUQCSA-N 1 2 248.330 1.495 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@H](O)C(C)(C)C)CC2 ZINC000676450959 487851130 /nfs/dbraw/zinc/85/11/30/487851130.db2.gz FTHVXXMQNABWKD-NSHDSACASA-N 1 2 237.347 1.414 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@H](O)C(C)(C)C)CC2 ZINC000676450959 487851134 /nfs/dbraw/zinc/85/11/34/487851134.db2.gz FTHVXXMQNABWKD-NSHDSACASA-N 1 2 237.347 1.414 20 0 BDADLO Cc1cn2ccc(NC(=O)NC[C@H](C)O)cc2[nH+]1 ZINC000668150629 487851858 /nfs/dbraw/zinc/85/18/58/487851858.db2.gz BLCQMVOHZODQQI-VIFPVBQESA-N 1 2 248.286 1.145 20 0 BDADLO O[C@H]1CC[N@H+](C[C@H]2CCSC2)CC1(F)F ZINC000668497901 487854569 /nfs/dbraw/zinc/85/45/69/487854569.db2.gz LFGAHSDPEWPKKR-BDAKNGLRSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@H]1CC[N@@H+](C[C@H]2CCSC2)CC1(F)F ZINC000668497901 487854571 /nfs/dbraw/zinc/85/45/71/487854571.db2.gz LFGAHSDPEWPKKR-BDAKNGLRSA-N 1 2 237.315 1.441 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CCO3)CC2)no1 ZINC000558627077 322952695 /nfs/dbraw/zinc/95/26/95/322952695.db2.gz WUKYFRJTPDEQBI-UHFFFAOYSA-N 1 2 223.276 1.133 20 0 BDADLO CC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC000668497925 487855199 /nfs/dbraw/zinc/85/51/99/487855199.db2.gz LKHMRQXIODGGIM-QMMMGPOBSA-N 1 2 205.248 1.488 20 0 BDADLO CC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC000668497925 487855203 /nfs/dbraw/zinc/85/52/03/487855203.db2.gz LKHMRQXIODGGIM-QMMMGPOBSA-N 1 2 205.248 1.488 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC1(C)C ZINC000668170549 487860465 /nfs/dbraw/zinc/86/04/65/487860465.db2.gz SIPRHYCPPRDFNE-GHMZBOCLSA-N 1 2 247.342 1.925 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2cc[nH]c2=S)CCS1 ZINC000173340856 641172120 /nfs/dbraw/zinc/17/21/20/641172120.db2.gz FPSKPINFEIMJFS-MRVPVSSYSA-N 1 2 229.374 1.940 20 0 BDADLO Cc1cc(N2CCC[C@H](OC(F)F)C2)nc[nH+]1 ZINC000679711316 487866138 /nfs/dbraw/zinc/86/61/38/487866138.db2.gz ZRXROCTUZAKYJB-VIFPVBQESA-N 1 2 243.257 1.993 20 0 BDADLO COC1CCC(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000682003049 487877760 /nfs/dbraw/zinc/87/77/60/487877760.db2.gz LQLKOJJGKJFZOE-UHFFFAOYSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@H](CNC(=O)C1CC2(CC2)C1)Cn1cc[nH+]c1 ZINC000669019189 487881505 /nfs/dbraw/zinc/88/15/05/487881505.db2.gz SDSHAXZVJUDKFJ-LLVKDONJSA-N 1 2 247.342 1.826 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCOC[C@@H]2C)o1 ZINC000676710686 487899306 /nfs/dbraw/zinc/89/93/06/487899306.db2.gz BLPMNPABPLPFKC-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCOC[C@@H]2C)o1 ZINC000676710686 487899314 /nfs/dbraw/zinc/89/93/14/487899314.db2.gz BLPMNPABPLPFKC-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cscn1 ZINC000676713512 487902950 /nfs/dbraw/zinc/90/29/50/487902950.db2.gz PTSXJAGYZZVZOO-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cscn1 ZINC000676713512 487902954 /nfs/dbraw/zinc/90/29/54/487902954.db2.gz PTSXJAGYZZVZOO-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nccnc2C)ncn1 ZINC000682137893 487912061 /nfs/dbraw/zinc/91/20/61/487912061.db2.gz APTXAHDEYHRYBB-LLVKDONJSA-N 1 2 243.314 1.734 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccco1 ZINC000654364655 487913361 /nfs/dbraw/zinc/91/33/61/487913361.db2.gz BYBXUOJIZLRLKT-SECBINFHSA-N 1 2 233.271 1.498 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccco1 ZINC000654364655 487913369 /nfs/dbraw/zinc/91/33/69/487913369.db2.gz BYBXUOJIZLRLKT-SECBINFHSA-N 1 2 233.271 1.498 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669043231 487913228 /nfs/dbraw/zinc/91/32/28/487913228.db2.gz UOMXWJZEZOYPAB-MNOVXSKESA-N 1 2 249.358 1.923 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669043231 487913236 /nfs/dbraw/zinc/91/32/36/487913236.db2.gz UOMXWJZEZOYPAB-MNOVXSKESA-N 1 2 249.358 1.923 20 0 BDADLO CCC[C@H](O)CC(=O)Nc1c[nH+]ccc1OC ZINC000676745581 487914034 /nfs/dbraw/zinc/91/40/34/487914034.db2.gz HWRHRQJNEZLAKV-VIFPVBQESA-N 1 2 238.287 1.580 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC2(CCC2)C1 ZINC000652969704 487923216 /nfs/dbraw/zinc/92/32/16/487923216.db2.gz LPWJVJNITAQWDV-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1CC2(CCC2)C1 ZINC000652969704 487923220 /nfs/dbraw/zinc/92/32/20/487923220.db2.gz LPWJVJNITAQWDV-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccsc1 ZINC000669919449 487924050 /nfs/dbraw/zinc/92/40/50/487924050.db2.gz OEOPENNYXGTPDU-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000669063905 487925026 /nfs/dbraw/zinc/92/50/26/487925026.db2.gz FPQHTMQUXHXANW-MXWKQRLJSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000669063905 487925031 /nfs/dbraw/zinc/92/50/31/487925031.db2.gz FPQHTMQUXHXANW-MXWKQRLJSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)[C@H]1C ZINC000380638078 487927623 /nfs/dbraw/zinc/92/76/23/487927623.db2.gz NNHLJQJPXZEEDR-UWVGGRQHSA-N 1 2 206.289 1.809 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000669066880 487927685 /nfs/dbraw/zinc/92/76/85/487927685.db2.gz VPNLQZMQPZVNFM-IRCOFANPSA-N 1 2 247.342 1.781 20 0 BDADLO c1n[nH]c2c1CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000676793417 487931361 /nfs/dbraw/zinc/93/13/61/487931361.db2.gz ZXVXULRABXFIGG-LLVKDONJSA-N 1 2 203.289 1.877 20 0 BDADLO c1n[nH]c2c1CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000676793417 487931364 /nfs/dbraw/zinc/93/13/64/487931364.db2.gz ZXVXULRABXFIGG-LLVKDONJSA-N 1 2 203.289 1.877 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676843140 487936108 /nfs/dbraw/zinc/93/61/08/487936108.db2.gz YIJAIWZYVFDMQU-MRVPVSSYSA-N 1 2 232.243 1.072 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000676842021 487936115 /nfs/dbraw/zinc/93/61/15/487936115.db2.gz UVFSPZWTBDFXKA-JQWIXIFHSA-N 1 2 247.342 1.608 20 0 BDADLO COc1nccnc1C[N@H+](C)CC1=CCCOC1 ZINC000668568829 487950016 /nfs/dbraw/zinc/95/00/16/487950016.db2.gz LBAVXIZTYYJWME-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO COc1nccnc1C[N@@H+](C)CC1=CCCOC1 ZINC000668568829 487950019 /nfs/dbraw/zinc/95/00/19/487950019.db2.gz LBAVXIZTYYJWME-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC(C2CCC2)C1 ZINC000560429160 322987109 /nfs/dbraw/zinc/98/71/09/322987109.db2.gz MCUOJEIEBYPOFF-UHFFFAOYSA-N 1 2 248.330 1.325 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC12CCOCC2)c1[nH]cc[nH+]1 ZINC000560697832 322991583 /nfs/dbraw/zinc/99/15/83/322991583.db2.gz GQEHISIJKOLKPC-ZJUUUORDSA-N 1 2 249.314 1.404 20 0 BDADLO CC[C@H](C[NH2+][C@](C)(C(=O)OC)C1CC1)OC ZINC000561234811 322997758 /nfs/dbraw/zinc/99/77/58/322997758.db2.gz DAQGVCZDJKYKSM-PWSUYJOCSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc2c(c1)OCO2 ZINC000398324371 323000533 /nfs/dbraw/zinc/00/05/33/323000533.db2.gz DRXOIQAHWLLJIV-MRVPVSSYSA-N 1 2 246.270 1.384 20 0 BDADLO Cc1cc(NC(=O)c2ccon2)cc[nH+]1 ZINC000074713918 323002237 /nfs/dbraw/zinc/00/22/37/323002237.db2.gz AFCNPBPDWBQHSQ-UHFFFAOYSA-N 1 2 203.201 1.630 20 0 BDADLO CC[C@H]1CN(c2[nH+]cccc2OC)C[C@H]1O ZINC000400057530 323013871 /nfs/dbraw/zinc/01/38/71/323013871.db2.gz XPGDSWNKQVZYOE-VHSXEESVSA-N 1 2 222.288 1.297 20 0 BDADLO Cc1cscc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000151231568 323013894 /nfs/dbraw/zinc/01/38/94/323013894.db2.gz OBKLFBIWDQEIBN-JTQLQIEISA-N 1 2 240.328 1.326 20 0 BDADLO Cc1cscc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000151231568 323013895 /nfs/dbraw/zinc/01/38/95/323013895.db2.gz OBKLFBIWDQEIBN-JTQLQIEISA-N 1 2 240.328 1.326 20 0 BDADLO CCN(CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000562274974 323014450 /nfs/dbraw/zinc/01/44/50/323014450.db2.gz RYTFFZAXFQIGMU-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000564736671 323014707 /nfs/dbraw/zinc/01/47/07/323014707.db2.gz RIUQGLVJDUDQHO-VHSXEESVSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000564736671 323014708 /nfs/dbraw/zinc/01/47/08/323014708.db2.gz RIUQGLVJDUDQHO-VHSXEESVSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ncnn1CCF ZINC000562510118 323022474 /nfs/dbraw/zinc/02/24/74/323022474.db2.gz FMUWJXQBIGMTAR-RKDXNWHRSA-N 1 2 212.272 1.230 20 0 BDADLO COc1ccc[nH+]c1N1CCC(CCO)CC1 ZINC000400991112 323024839 /nfs/dbraw/zinc/02/48/39/323024839.db2.gz YVYDTGBRYJHLNR-UHFFFAOYSA-N 1 2 236.315 1.689 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3cccnc3o2)CC(=O)N1 ZINC000562661741 323026354 /nfs/dbraw/zinc/02/63/54/323026354.db2.gz QJSYFXPUZMXJHB-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3cccnc3o2)CC(=O)N1 ZINC000562661741 323026355 /nfs/dbraw/zinc/02/63/55/323026355.db2.gz QJSYFXPUZMXJHB-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO CCc1nc(C[N@H+](C)CCC2CC2)no1 ZINC000135277314 323027990 /nfs/dbraw/zinc/02/79/90/323027990.db2.gz JGJAQNFLYBVBTR-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@@H+](C)CCC2CC2)no1 ZINC000135277314 323027991 /nfs/dbraw/zinc/02/79/91/323027991.db2.gz JGJAQNFLYBVBTR-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO c1nc(NCC2=CCCOC2)cc(NC2CC2)[nH+]1 ZINC000562727639 323029293 /nfs/dbraw/zinc/02/92/93/323029293.db2.gz VDPFBSWMHWMQKR-UHFFFAOYSA-N 1 2 246.314 1.810 20 0 BDADLO c1nc(NC2CC2)cc(NCC2=CCCOC2)[nH+]1 ZINC000562727639 323029294 /nfs/dbraw/zinc/02/92/94/323029294.db2.gz VDPFBSWMHWMQKR-UHFFFAOYSA-N 1 2 246.314 1.810 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCN(C(N)=O)C1 ZINC000565223525 323034226 /nfs/dbraw/zinc/03/42/26/323034226.db2.gz ZQCGEFQLWQDQOQ-SNVBAGLBSA-N 1 2 249.318 1.048 20 0 BDADLO [NH3+]CCCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000569925820 323044723 /nfs/dbraw/zinc/04/47/23/323044723.db2.gz YJBBLQDHPBDECV-UHFFFAOYSA-N 1 2 233.275 1.025 20 0 BDADLO CCC[C@H](C)[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000570049131 323048129 /nfs/dbraw/zinc/04/81/29/323048129.db2.gz BUNLCADHFUBBCC-ONGXEEELSA-N 1 2 223.320 1.994 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)CC1 ZINC000570103857 323049912 /nfs/dbraw/zinc/04/99/12/323049912.db2.gz DALKLBABSVQFTM-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)CC1 ZINC000570103857 323049913 /nfs/dbraw/zinc/04/99/13/323049913.db2.gz DALKLBABSVQFTM-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO Cc1ncc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cn1 ZINC000570103732 323050000 /nfs/dbraw/zinc/05/00/00/323050000.db2.gz ADBICSHXEAHXOI-VIFPVBQESA-N 1 2 234.303 1.064 20 0 BDADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)C1CCC1 ZINC000570159529 323051422 /nfs/dbraw/zinc/05/14/22/323051422.db2.gz WUNWMDRPDXZJCJ-NSHDSACASA-N 1 2 233.315 1.349 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCCCC2 ZINC000570305620 323055740 /nfs/dbraw/zinc/05/57/40/323055740.db2.gz IAORLLOWEUFXBV-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO C[C@@H](CC(=O)N(C)C1CCC1)n1cc[nH+]c1 ZINC000570336252 323056867 /nfs/dbraw/zinc/05/68/67/323056867.db2.gz WAZKNUSFGHDEGY-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO Cc1nc(N2CCC(c3nnco3)CC2)cc[nH+]1 ZINC000572643574 323057198 /nfs/dbraw/zinc/05/71/98/323057198.db2.gz BUGVGMCXBUITHL-UHFFFAOYSA-N 1 2 245.286 1.552 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2CCO[C@H]2CC)no1 ZINC000570415462 323059234 /nfs/dbraw/zinc/05/92/34/323059234.db2.gz GJAJJJBVWUGAJC-ZJUUUORDSA-N 1 2 239.319 1.679 20 0 BDADLO Cc1cnc(NC(=O)NCc2c[nH+]cn2C)o1 ZINC000570438111 323059311 /nfs/dbraw/zinc/05/93/11/323059311.db2.gz PWPSOWVPJSSCRY-UHFFFAOYSA-N 1 2 235.247 1.038 20 0 BDADLO CCC[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000573018780 323061165 /nfs/dbraw/zinc/06/11/65/323061165.db2.gz CVPZXCAUPABKQO-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO COc1ccccc1C[N@@H+]1CCn2nncc2C1 ZINC000570582687 323064050 /nfs/dbraw/zinc/06/40/50/323064050.db2.gz FZMVCBIVNMFODU-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccccc1C[N@H+]1CCn2nncc2C1 ZINC000570582687 323064051 /nfs/dbraw/zinc/06/40/51/323064051.db2.gz FZMVCBIVNMFODU-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCCS1 ZINC000570738419 323068824 /nfs/dbraw/zinc/06/88/24/323068824.db2.gz FCCITRKANJYIOZ-VIFPVBQESA-N 1 2 239.344 1.415 20 0 BDADLO O=C(CCC1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000531146676 323075284 /nfs/dbraw/zinc/07/52/84/323075284.db2.gz KMPHQJUGMNLSOX-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cc[nH]c2)s1 ZINC000308726652 323081051 /nfs/dbraw/zinc/08/10/51/323081051.db2.gz GVKUUYMYRBBKAF-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1c[nH+]ccc1CCN1CC(=O)N(C2CC2)C1 ZINC000563053460 323082958 /nfs/dbraw/zinc/08/29/58/323082958.db2.gz ZUJIIHCLTVWXII-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO CC1(C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000531345533 323087822 /nfs/dbraw/zinc/08/78/22/323087822.db2.gz BZVLPMPMKPEQMM-UHFFFAOYSA-N 1 2 222.292 1.077 20 0 BDADLO COc1ccc[nH+]c1N(C)CC[C@@H](C)O ZINC000219846606 323088168 /nfs/dbraw/zinc/08/81/68/323088168.db2.gz BAJVZQFFXGBRAY-SECBINFHSA-N 1 2 210.277 1.297 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H](C)C2CCC2)c[nH+]1 ZINC000563194119 323101038 /nfs/dbraw/zinc/10/10/38/323101038.db2.gz KBPVZRLXQDVJJM-MRVPVSSYSA-N 1 2 248.330 1.250 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(F)F ZINC000563283987 323108311 /nfs/dbraw/zinc/10/83/11/323108311.db2.gz FPIQFOUIIQRXLJ-SSDOTTSWSA-N 1 2 217.219 1.043 20 0 BDADLO COC[C@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563283963 323108323 /nfs/dbraw/zinc/10/83/23/323108323.db2.gz FIJDFXOYGBYFSB-SECBINFHSA-N 1 2 239.319 1.434 20 0 BDADLO CCc1ocnc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000534300081 323115830 /nfs/dbraw/zinc/11/58/30/323115830.db2.gz VSQSUVCRVLESSZ-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C ZINC000563382540 323122020 /nfs/dbraw/zinc/12/20/20/323122020.db2.gz CCFDCMBQDANAOH-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C ZINC000563382540 323122021 /nfs/dbraw/zinc/12/20/21/323122021.db2.gz CCFDCMBQDANAOH-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)C[C@H](CO)C1 ZINC000563423201 323124262 /nfs/dbraw/zinc/12/42/62/323124262.db2.gz DVPJUTHDWAFSBF-SKDRFNHKSA-N 1 2 235.331 1.548 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000563455904 323127233 /nfs/dbraw/zinc/12/72/33/323127233.db2.gz RNAZVHOPAWCNPZ-SNVBAGLBSA-N 1 2 237.303 1.211 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000563455904 323127234 /nfs/dbraw/zinc/12/72/34/323127234.db2.gz RNAZVHOPAWCNPZ-SNVBAGLBSA-N 1 2 237.303 1.211 20 0 BDADLO CCn1nccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563546867 323129795 /nfs/dbraw/zinc/12/97/95/323129795.db2.gz LKBMTHXRHIXILU-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO CCn1nccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563546867 323129796 /nfs/dbraw/zinc/12/97/96/323129796.db2.gz LKBMTHXRHIXILU-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO CCC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000571102111 323135876 /nfs/dbraw/zinc/13/58/76/323135876.db2.gz GHDYBJGCXBLEGX-UHFFFAOYSA-N 1 2 226.364 1.881 20 0 BDADLO C[C@@H](CC(=O)N1CCO[C@@H](C)C1)n1cc[nH+]c1 ZINC000571219614 323138353 /nfs/dbraw/zinc/13/83/53/323138353.db2.gz NAHSTAQAQOMNHN-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000571326568 323141521 /nfs/dbraw/zinc/14/15/21/323141521.db2.gz HYVQCDUZHZNTSI-VHSXEESVSA-N 1 2 239.306 1.389 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000571521781 323146763 /nfs/dbraw/zinc/14/67/63/323146763.db2.gz MHDHQVORYXVNIO-UTLUCORTSA-N 1 2 219.288 1.637 20 0 BDADLO Cc1cc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)on1 ZINC000571579807 323148383 /nfs/dbraw/zinc/14/83/83/323148383.db2.gz RDOYEAMMQMNIRB-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1cc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)on1 ZINC000571579807 323148384 /nfs/dbraw/zinc/14/83/84/323148384.db2.gz RDOYEAMMQMNIRB-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO O=C(CCc1ccccn1)NCCn1cc[nH+]c1 ZINC000049475107 323161366 /nfs/dbraw/zinc/16/13/66/323161366.db2.gz IMVGESBZZCXLHJ-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO Cc1noc(C)c1C(=O)Nc1cc(C)[nH+]cc1C ZINC000535035283 323164075 /nfs/dbraw/zinc/16/40/75/323164075.db2.gz RMSHENIXRSYGCC-UHFFFAOYSA-N 1 2 245.282 1.977 20 0 BDADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)nn1C ZINC000535036635 323164305 /nfs/dbraw/zinc/16/43/05/323164305.db2.gz WWROIWQVNYNQFH-UHFFFAOYSA-N 1 2 244.298 1.415 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)CC(C)(C)O ZINC000304375069 323164474 /nfs/dbraw/zinc/16/44/74/323164474.db2.gz QOFHWPZKYLNNHZ-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)CC(C)(C)O ZINC000304375069 323164475 /nfs/dbraw/zinc/16/44/75/323164475.db2.gz QOFHWPZKYLNNHZ-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000529403315 323175012 /nfs/dbraw/zinc/17/50/12/323175012.db2.gz NLNIGUWGJYTKKH-XDTLVQLUSA-N 1 2 245.326 1.517 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000308825868 323179447 /nfs/dbraw/zinc/17/94/47/323179447.db2.gz AERAZIYBMCIPEL-UHFFFAOYSA-N 1 2 211.305 1.860 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc[nH]n2)c(C(F)F)n1 ZINC000563845145 323180565 /nfs/dbraw/zinc/18/05/65/323180565.db2.gz ARMQZTHVQBSCJX-UHFFFAOYSA-N 1 2 241.245 1.371 20 0 BDADLO O=C(NCC1CC=CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000529709764 323186102 /nfs/dbraw/zinc/18/61/02/323186102.db2.gz QXSRKQHBYMRLHS-LBPRGKRZSA-N 1 2 245.326 1.528 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)s1 ZINC000536653682 323199587 /nfs/dbraw/zinc/19/95/87/323199587.db2.gz LAFWBQRSKQOKHV-SECBINFHSA-N 1 2 238.356 1.631 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)s1 ZINC000536653682 323199588 /nfs/dbraw/zinc/19/95/88/323199588.db2.gz LAFWBQRSKQOKHV-SECBINFHSA-N 1 2 238.356 1.631 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)C1CCC1 ZINC000520742783 323223529 /nfs/dbraw/zinc/22/35/29/323223529.db2.gz RMFPEHLZHIDYIN-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CC(C)(C)CCNC(=O)C[NH+]1CCSCC1 ZINC000103467462 323250101 /nfs/dbraw/zinc/25/01/01/323250101.db2.gz CJFOLPCYCCOQOH-UHFFFAOYSA-N 1 2 244.404 1.588 20 0 BDADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)oc1C ZINC000532616662 323280187 /nfs/dbraw/zinc/28/01/87/323280187.db2.gz RHIWTMMJYPLAQF-UHFFFAOYSA-N 1 2 245.282 1.790 20 0 BDADLO CC(C)[C@@](C)(CO)[NH2+]Cc1nnsc1Cl ZINC000309081134 323314757 /nfs/dbraw/zinc/31/47/57/323314757.db2.gz PTOANCOLHXIGEW-SECBINFHSA-N 1 2 249.767 1.688 20 0 BDADLO Cn1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cn1 ZINC000547754685 323338916 /nfs/dbraw/zinc/33/89/16/323338916.db2.gz AEMCMQLQAJTLTC-UHFFFAOYSA-N 1 2 233.275 1.060 20 0 BDADLO Cn1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cn1 ZINC000547754685 323338920 /nfs/dbraw/zinc/33/89/20/323338920.db2.gz AEMCMQLQAJTLTC-UHFFFAOYSA-N 1 2 233.275 1.060 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1nc(N)c2ccccc2[nH+]1 ZINC000530359568 323382756 /nfs/dbraw/zinc/38/27/56/323382756.db2.gz CWEINMAYFMRNGC-BDAKNGLRSA-N 1 2 244.298 1.002 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)O)C1CCCCC1 ZINC000309610959 323430905 /nfs/dbraw/zinc/43/09/05/323430905.db2.gz BIUPIKJBWPRCNG-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO CCc1[nH]ccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572006704 323523007 /nfs/dbraw/zinc/52/30/07/323523007.db2.gz IPPPCHYJLQJJIC-UHFFFAOYSA-N 1 2 246.314 1.965 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@@H](CF)C1 ZINC000528033328 323742379 /nfs/dbraw/zinc/74/23/79/323742379.db2.gz AGHLGAVRCLSGLJ-VIFPVBQESA-N 1 2 226.251 1.265 20 0 BDADLO Cc1nc(NCc2cccnc2C)cc[nH+]1 ZINC000528186424 323774511 /nfs/dbraw/zinc/77/45/11/323774511.db2.gz KQGXVGDZAAATPP-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccnnc1C ZINC000677052053 487961166 /nfs/dbraw/zinc/96/11/66/487961166.db2.gz GSGNYMRQNXBCMW-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO C[C@H](NC(=O)N1CC(C)(F)C1)c1[nH+]ccn1C ZINC000667250894 487961710 /nfs/dbraw/zinc/96/17/10/487961710.db2.gz YXSXWOFKVPFJGB-QMMMGPOBSA-N 1 2 240.282 1.235 20 0 BDADLO Cc1ocnc1CNC(=O)Nc1cc[nH+]cc1C ZINC000537054980 324002628 /nfs/dbraw/zinc/00/26/28/324002628.db2.gz FCENMYPVMUTHBF-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO Cc1cccn2c(CNc3cnn(C)c3)c[nH+]c12 ZINC000537301526 324063873 /nfs/dbraw/zinc/06/38/73/324063873.db2.gz JVENKJDPQGMIRJ-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000123078701 324080226 /nfs/dbraw/zinc/08/02/26/324080226.db2.gz KNYFSHDOVVIQOS-UHFFFAOYSA-N 1 2 215.256 1.382 20 0 BDADLO O=C(C[C@H]1C=CCC1)NCCc1[nH]cc[nH+]1 ZINC000123086456 324080850 /nfs/dbraw/zinc/08/08/50/324080850.db2.gz UGNDDPYCIPCTPR-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO CN1CCC[C@@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000537610529 324084194 /nfs/dbraw/zinc/08/41/94/324084194.db2.gz XMAJRLRUYPNEEQ-SNVBAGLBSA-N 1 2 212.268 1.166 20 0 BDADLO CN1CCC[C@@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000537610529 324084198 /nfs/dbraw/zinc/08/41/98/324084198.db2.gz XMAJRLRUYPNEEQ-SNVBAGLBSA-N 1 2 212.268 1.166 20 0 BDADLO CC(C)c1nc(N2CCC[C@@](C)(O)C2)cc[nH+]1 ZINC000162832716 324120874 /nfs/dbraw/zinc/12/08/74/324120874.db2.gz HEEJPUFDHBVFRR-CYBMUJFWSA-N 1 2 235.331 1.951 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C(/C)Cl ZINC000528389879 324217880 /nfs/dbraw/zinc/21/78/80/324217880.db2.gz VBNDJHZNRIHFGD-OTOXVQDCSA-N 1 2 216.712 1.339 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C(/C)Cl ZINC000528389879 324217884 /nfs/dbraw/zinc/21/78/84/324217884.db2.gz VBNDJHZNRIHFGD-OTOXVQDCSA-N 1 2 216.712 1.339 20 0 BDADLO COC[C@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528393358 324219323 /nfs/dbraw/zinc/21/93/23/324219323.db2.gz WAWLBEXAGCSNKL-KSXVILFYSA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528393358 324219326 /nfs/dbraw/zinc/21/93/26/324219326.db2.gz WAWLBEXAGCSNKL-KSXVILFYSA-N 1 2 219.712 1.476 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC23CC3)c1 ZINC000529479355 324310684 /nfs/dbraw/zinc/31/06/84/324310684.db2.gz YQXNKELNWFTNGV-LBPRGKRZSA-N 1 2 247.342 1.659 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cnn(C2CC2)c1 ZINC000529517598 324321498 /nfs/dbraw/zinc/32/14/98/324321498.db2.gz JHUDAPSKIMAOPH-UHFFFAOYSA-N 1 2 245.286 1.213 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cnn(C2CC2)c1 ZINC000529517598 324321505 /nfs/dbraw/zinc/32/15/05/324321505.db2.gz JHUDAPSKIMAOPH-UHFFFAOYSA-N 1 2 245.286 1.213 20 0 BDADLO Clc1cnccc1C[NH+]1CC2(C1)CCOC2 ZINC000529579696 324350034 /nfs/dbraw/zinc/35/00/34/324350034.db2.gz GMIDXBOEYWTVLI-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO COCc1cc(C[NH2+]Cc2cccnc2C)no1 ZINC000529662503 324372441 /nfs/dbraw/zinc/37/24/41/324372441.db2.gz RKUSFWDCOWRJMF-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC=CC1 ZINC000529706694 324379899 /nfs/dbraw/zinc/37/98/99/324379899.db2.gz LPJMVZHAARFAKK-SNVBAGLBSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC=CC1 ZINC000529706694 324379906 /nfs/dbraw/zinc/37/99/06/324379906.db2.gz LPJMVZHAARFAKK-SNVBAGLBSA-N 1 2 233.315 1.671 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1CC=CC1 ZINC000529711064 324385251 /nfs/dbraw/zinc/38/52/51/324385251.db2.gz ZYXBHTRJRYSTDS-UHFFFAOYSA-N 1 2 219.288 1.425 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]23C[C@H]2COC3(C)C)c[nH+]1 ZINC000529784917 324397262 /nfs/dbraw/zinc/39/72/62/324397262.db2.gz LPSXMJBRFRQDAW-QPUJVOFHSA-N 1 2 235.287 1.015 20 0 BDADLO CCn1nc(C)cc1NC(=O)CCn1cc[nH+]c1 ZINC000530136338 324493868 /nfs/dbraw/zinc/49/38/68/324493868.db2.gz GYLUTTSFUGIPQK-UHFFFAOYSA-N 1 2 247.302 1.437 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C2CC2)CC1 ZINC000530288461 324575192 /nfs/dbraw/zinc/57/51/92/324575192.db2.gz RVGGOWUKAXQIPL-UHFFFAOYSA-N 1 2 233.315 1.412 20 0 BDADLO C[C@H](O)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000530324595 324580994 /nfs/dbraw/zinc/58/09/94/324580994.db2.gz SGWHIESTJSMFLD-QMMMGPOBSA-N 1 2 231.255 1.396 20 0 BDADLO CSC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000530403210 324592855 /nfs/dbraw/zinc/59/28/55/324592855.db2.gz QDCRFTWHIIVJLE-UHFFFAOYSA-N 1 2 237.328 1.162 20 0 BDADLO CC(=O)c1cc(C[N@H+](CCCO)C2CC2)on1 ZINC000653557306 487964449 /nfs/dbraw/zinc/96/44/49/487964449.db2.gz MZJAHHVHLSQCFT-UHFFFAOYSA-N 1 2 238.287 1.224 20 0 BDADLO CC(=O)c1cc(C[N@@H+](CCCO)C2CC2)on1 ZINC000653557306 487964452 /nfs/dbraw/zinc/96/44/52/487964452.db2.gz MZJAHHVHLSQCFT-UHFFFAOYSA-N 1 2 238.287 1.224 20 0 BDADLO Cc1ccn(Cc2[nH+]ccn2C(F)F)c(=O)n1 ZINC000302461499 487964480 /nfs/dbraw/zinc/96/44/80/487964480.db2.gz YOMDGIRAOJVRJI-UHFFFAOYSA-N 1 2 240.213 1.192 20 0 BDADLO COc1cc(C)[nH+]c(Cn2ccc(C)nc2=O)c1 ZINC000302450635 487964543 /nfs/dbraw/zinc/96/45/43/487964543.db2.gz XITVUWVZDWBESE-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO COc1ccc[nH+]c1NCC[C@H]1CCOC1 ZINC000220831421 324620877 /nfs/dbraw/zinc/62/08/77/324620877.db2.gz ZXFNGZSGWLOUFO-JTQLQIEISA-N 1 2 222.288 1.929 20 0 BDADLO O=C(Nc1nccs1)N1CC(n2cc[nH+]c2)C1 ZINC000538264068 324664757 /nfs/dbraw/zinc/66/47/57/324664757.db2.gz OQHOKSBYMXXSQQ-UHFFFAOYSA-N 1 2 249.299 1.428 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653558704 487965381 /nfs/dbraw/zinc/96/53/81/487965381.db2.gz PTFPQZWSEXBETO-VHSXEESVSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653558704 487965383 /nfs/dbraw/zinc/96/53/83/487965383.db2.gz PTFPQZWSEXBETO-VHSXEESVSA-N 1 2 237.351 1.658 20 0 BDADLO Cn1cnnc1C[NH2+]C1(c2ccccc2)CC1 ZINC000540354836 324897586 /nfs/dbraw/zinc/89/75/86/324897586.db2.gz SBLUXOKCTYSCQV-UHFFFAOYSA-N 1 2 228.299 1.594 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682450774 487965830 /nfs/dbraw/zinc/96/58/30/487965830.db2.gz KCTZZYQQGXZEHI-RYUDHWBXSA-N 1 2 249.358 1.948 20 0 BDADLO COc1cc(C(=O)Nc2cc(C)[nH+]cc2C)on1 ZINC000541571236 324965531 /nfs/dbraw/zinc/96/55/31/324965531.db2.gz QWFRLHFHVGRTGF-UHFFFAOYSA-N 1 2 247.254 1.369 20 0 BDADLO CCN(C)C(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000130373085 325045547 /nfs/dbraw/zinc/04/55/47/325045547.db2.gz CXFVKUKRYHKPAB-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO CCN(C)C(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000130373085 325045548 /nfs/dbraw/zinc/04/55/48/325045548.db2.gz CXFVKUKRYHKPAB-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO O=C(/C=C/c1ccccc1)NCc1[nH]cc[nH+]1 ZINC000070989927 325048867 /nfs/dbraw/zinc/04/88/67/325048867.db2.gz HRCQGFDSBZJYFG-VOTSOKGWSA-N 1 2 227.267 1.739 20 0 BDADLO COc1ccc[nH+]c1NCc1cnn(C)c1C ZINC000231325030 325079377 /nfs/dbraw/zinc/07/93/77/325079377.db2.gz HGQBRKNFOWPWDL-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ncnn2C)cn1 ZINC000544467903 325144168 /nfs/dbraw/zinc/14/41/68/325144168.db2.gz FEUZTGORPQHYRP-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000131451240 325152257 /nfs/dbraw/zinc/15/22/57/325152257.db2.gz PZUGZRYMTWOKPZ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000131451240 325152260 /nfs/dbraw/zinc/15/22/60/325152260.db2.gz PZUGZRYMTWOKPZ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000131576882 325165528 /nfs/dbraw/zinc/16/55/28/325165528.db2.gz YWKJRCBGGVNQTP-DGCLKSJQSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132163928 325202910 /nfs/dbraw/zinc/20/29/10/325202910.db2.gz QZCJZXMDBLGYQJ-NQBHXWOUSA-N 1 2 247.342 1.750 20 0 BDADLO CCc1cnc(C[N@H+](C)C2CC(O)C2)o1 ZINC000545388035 325218171 /nfs/dbraw/zinc/21/81/71/325218171.db2.gz GINAOEGAXPCCGQ-UHFFFAOYSA-N 1 2 210.277 1.192 20 0 BDADLO CCc1cnc(C[N@@H+](C)C2CC(O)C2)o1 ZINC000545388035 325218175 /nfs/dbraw/zinc/21/81/75/325218175.db2.gz GINAOEGAXPCCGQ-UHFFFAOYSA-N 1 2 210.277 1.192 20 0 BDADLO C[C@@H]1OCC[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000546550393 325287382 /nfs/dbraw/zinc/28/73/82/325287382.db2.gz FMZUFZODFZWRMO-WCBMZHEXSA-N 1 2 248.286 1.286 20 0 BDADLO Cn1nncc1C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000546634504 325296804 /nfs/dbraw/zinc/29/68/04/325296804.db2.gz XXUAWCGATBDVTM-LLVKDONJSA-N 1 2 248.261 1.178 20 0 BDADLO Cn1ccc(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000546887662 325316966 /nfs/dbraw/zinc/31/69/66/325316966.db2.gz CKXAVXWQFYYDQQ-UHFFFAOYSA-N 1 2 243.314 1.164 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)CF)c(C)c[nH+]1 ZINC000547450355 325356849 /nfs/dbraw/zinc/35/68/49/325356849.db2.gz HIHONYPJIILTTO-UHFFFAOYSA-N 1 2 239.294 1.990 20 0 BDADLO c1cn2c(cccc2CNc2nncs2)[nH+]1 ZINC000134422960 325358186 /nfs/dbraw/zinc/35/81/86/325358186.db2.gz MKTOMMCLSOCLCK-UHFFFAOYSA-N 1 2 231.284 1.798 20 0 BDADLO C[C@@H](CN1CCCC1=O)Nc1cccc[nH+]1 ZINC000076871990 325358613 /nfs/dbraw/zinc/35/86/13/325358613.db2.gz XRCUFCRSICZIRC-JTQLQIEISA-N 1 2 219.288 1.504 20 0 BDADLO COc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000134491288 325361049 /nfs/dbraw/zinc/36/10/49/325361049.db2.gz GTVUZGWYXIIECZ-UHFFFAOYSA-N 1 2 245.282 1.391 20 0 BDADLO Cc1ccncc1C(=O)NCCc1c[nH+]cn1C ZINC000547482695 325361407 /nfs/dbraw/zinc/36/14/07/325361407.db2.gz CADCENSIHRHBMY-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1cc(C(=O)NCCCCn2cc[nH+]c2)co1 ZINC000547745583 325391355 /nfs/dbraw/zinc/39/13/55/325391355.db2.gz CTHVYUNEVYGSGO-UHFFFAOYSA-N 1 2 247.298 1.995 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000135230332 325401352 /nfs/dbraw/zinc/40/13/52/325401352.db2.gz UYYGBLBFBDSYSA-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccccc1F ZINC000548255097 325442196 /nfs/dbraw/zinc/44/21/96/325442196.db2.gz IBFPPUJYFMZNBO-UHFFFAOYSA-N 1 2 233.246 1.740 20 0 BDADLO OCCCc1cn(-c2ncncc2Cl)c[nH+]1 ZINC000682462311 487968273 /nfs/dbraw/zinc/96/82/73/487968273.db2.gz OTHRUHRCSZEKKP-UHFFFAOYSA-N 1 2 238.678 1.241 20 0 BDADLO COCCCn1nccc1C[NH2+]CC(C)(F)F ZINC000549866248 325518014 /nfs/dbraw/zinc/51/80/14/325518014.db2.gz LVPNHGIXYRCWIM-UHFFFAOYSA-N 1 2 247.289 1.664 20 0 BDADLO Cc1cc(C)nc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000550442172 325531473 /nfs/dbraw/zinc/53/14/73/325531473.db2.gz BZPOGDKZTYSALQ-UHFFFAOYSA-N 1 2 229.287 1.351 20 0 BDADLO O=S1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000551068664 325547995 /nfs/dbraw/zinc/54/79/95/325547995.db2.gz FKKDOPHGAHHDSS-GFCCVEGCSA-N 1 2 227.373 1.940 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@H]1CO ZINC000249062853 325635188 /nfs/dbraw/zinc/63/51/88/325635188.db2.gz IEYYDBJMGVBZLR-ONGXEEELSA-N 1 2 233.315 1.561 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCC[C@H]1OC ZINC000251234184 325675220 /nfs/dbraw/zinc/67/52/20/325675220.db2.gz HVLRIGQKEDQJLL-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCCO1)C1CC1 ZINC000553269565 325684396 /nfs/dbraw/zinc/68/43/96/325684396.db2.gz BWCNCDTZSRBSEO-QWRGUYRKSA-N 1 2 249.314 1.166 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682475222 487969152 /nfs/dbraw/zinc/96/91/52/487969152.db2.gz VBJPFOJTEVKVNB-CMPLNLGQSA-N 1 2 247.342 1.608 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000554556809 325727309 /nfs/dbraw/zinc/72/73/09/325727309.db2.gz CXNMNCLBMKJODL-NEPJUHHUSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H](NC(=O)N1CCCCO1)c1[nH+]ccn1C ZINC000667250339 487970800 /nfs/dbraw/zinc/97/08/00/487970800.db2.gz MKTNLUPHSIYDJC-VIFPVBQESA-N 1 2 238.291 1.218 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCn1cccc1 ZINC000565370853 325902308 /nfs/dbraw/zinc/90/23/08/325902308.db2.gz AYYCIYBNIUECIK-UHFFFAOYSA-N 1 2 216.288 1.429 20 0 BDADLO CCCCOCCCNC(=O)Cn1cc[nH+]c1 ZINC000565396400 325904590 /nfs/dbraw/zinc/90/45/90/325904590.db2.gz HELAABCBLLHKKN-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1C=CCCC1 ZINC000565806062 325958524 /nfs/dbraw/zinc/95/85/24/325958524.db2.gz DRLBXMVOUPSPLD-JTQLQIEISA-N 1 2 234.303 1.328 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000565825430 325960703 /nfs/dbraw/zinc/96/07/03/325960703.db2.gz IINVALIXADSDLL-DIYOJNKTSA-N 1 2 205.261 1.246 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566291230 326029633 /nfs/dbraw/zinc/02/96/33/326029633.db2.gz GKNUECKRBTULLU-JFGNBEQYSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566291231 326029783 /nfs/dbraw/zinc/02/97/83/326029783.db2.gz GKNUECKRBTULLU-SCVCMEIPSA-N 1 2 233.315 1.360 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)C[C@@H]2CCCO2)on1 ZINC000566415520 326041676 /nfs/dbraw/zinc/04/16/76/326041676.db2.gz BPUBHGVYVINMBI-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)C[C@@H]2CCCO2)on1 ZINC000566415520 326041680 /nfs/dbraw/zinc/04/16/80/326041680.db2.gz BPUBHGVYVINMBI-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000566447169 326049371 /nfs/dbraw/zinc/04/93/71/326049371.db2.gz RQGVXDPMMGZXBB-JQWIXIFHSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000566447169 326049372 /nfs/dbraw/zinc/04/93/72/326049372.db2.gz RQGVXDPMMGZXBB-JQWIXIFHSA-N 1 2 247.342 1.847 20 0 BDADLO CC(=O)NCCN(C)c1ccc2ccccc2[nH+]1 ZINC000566617055 326068505 /nfs/dbraw/zinc/06/85/05/326068505.db2.gz KDMPQGFFUOIVSN-UHFFFAOYSA-N 1 2 243.310 1.807 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccn(C(C)C)n2)c[nH+]1 ZINC000566844097 326087074 /nfs/dbraw/zinc/08/70/74/326087074.db2.gz BHDHRAMHNMEKKK-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cncn2C)[nH+]1 ZINC000566920475 326094547 /nfs/dbraw/zinc/09/45/47/326094547.db2.gz MKYMAJSVNFGJPT-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1nc(C)[nH+]cc1C ZINC000567124119 326120748 /nfs/dbraw/zinc/12/07/48/326120748.db2.gz ZJTHXIPBAWNSHZ-ZJUUUORDSA-N 1 2 207.277 1.683 20 0 BDADLO COC(=O)[C@H]([NH2+]CC(C(C)C)C(C)C)[C@@H](C)O ZINC000567130131 326121747 /nfs/dbraw/zinc/12/17/47/326121747.db2.gz XLYLVBFUVHESMH-ZYHUDNBSSA-N 1 2 245.363 1.427 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CC12CC2 ZINC000567229699 326146638 /nfs/dbraw/zinc/14/66/38/326146638.db2.gz CUJOWSSGNKAZIN-SNVBAGLBSA-N 1 2 246.314 1.345 20 0 BDADLO Cc1occc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155035117 326180522 /nfs/dbraw/zinc/18/05/22/326180522.db2.gz UVXVREBBCNSSHN-UHFFFAOYSA-N 1 2 247.298 1.947 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc[nH]c1 ZINC000155158630 326187026 /nfs/dbraw/zinc/18/70/26/326187026.db2.gz SBOQGSUAGWYWFI-UHFFFAOYSA-N 1 2 232.287 1.374 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682504599 487971753 /nfs/dbraw/zinc/97/17/53/487971753.db2.gz LAZSWINFUISOKF-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC000157668755 326289774 /nfs/dbraw/zinc/28/97/74/326289774.db2.gz IXBKZGZIFMXLLE-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC000157668755 326289776 /nfs/dbraw/zinc/28/97/76/326289776.db2.gz IXBKZGZIFMXLLE-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000567975569 326289793 /nfs/dbraw/zinc/28/97/93/326289793.db2.gz WOXRHTHDTZWMPG-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO CN(CCC[N@H+](C)CC(F)F)CC(F)F ZINC000157896100 326299203 /nfs/dbraw/zinc/29/92/03/326299203.db2.gz LQIBWBOAHUQQFW-UHFFFAOYSA-N 1 2 230.249 1.770 20 0 BDADLO CN(CCC[N@@H+](C)CC(F)F)CC(F)F ZINC000157896100 326299205 /nfs/dbraw/zinc/29/92/05/326299205.db2.gz LQIBWBOAHUQQFW-UHFFFAOYSA-N 1 2 230.249 1.770 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@](C)(O)C1CC1 ZINC000568242524 326333168 /nfs/dbraw/zinc/33/31/68/326333168.db2.gz MEAIJMGDIYWKDG-LBPRGKRZSA-N 1 2 221.304 1.088 20 0 BDADLO CC[C@@H](C)[C@H](CNc1nc(C)[nH+]cc1C)OC ZINC000568248960 326334695 /nfs/dbraw/zinc/33/46/95/326334695.db2.gz BZFLRQPYFIGQIE-SKDRFNHKSA-N 1 2 237.347 1.988 20 0 BDADLO COC1(CNc2nc(C)[nH+]cc2C)CCC1 ZINC000568250617 326335230 /nfs/dbraw/zinc/33/52/30/326335230.db2.gz WTBCFZQLDBDXRU-UHFFFAOYSA-N 1 2 221.304 1.496 20 0 BDADLO CCN(Cc1occc1C)C(=O)Cn1cc[nH+]c1 ZINC000568367535 326350274 /nfs/dbraw/zinc/35/02/74/326350274.db2.gz KAVYEMPNXVVULE-UHFFFAOYSA-N 1 2 247.298 1.833 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)no1 ZINC000568620115 326367782 /nfs/dbraw/zinc/36/77/82/326367782.db2.gz FJKJHCRPKDSITG-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)no1 ZINC000568620115 326367785 /nfs/dbraw/zinc/36/77/85/326367785.db2.gz FJKJHCRPKDSITG-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(N)c(CNC(=O)C(C)(C)C2CC2)c[nH+]1 ZINC000568636710 326370078 /nfs/dbraw/zinc/37/00/78/326370078.db2.gz KYFMMKLCUOHKLS-UHFFFAOYSA-N 1 2 248.330 1.250 20 0 BDADLO Cc1cccc(C)c1C[N@@H+]1CCn2nncc2C1 ZINC000568660259 326371678 /nfs/dbraw/zinc/37/16/78/326371678.db2.gz YLLVTSWNZILQHO-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cccc(C)c1C[N@H+]1CCn2nncc2C1 ZINC000568660259 326371680 /nfs/dbraw/zinc/37/16/80/326371680.db2.gz YLLVTSWNZILQHO-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000568662391 326371695 /nfs/dbraw/zinc/37/16/95/326371695.db2.gz AKZDZXREEKBYRL-AEJSXWLSSA-N 1 2 237.303 1.260 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000568771185 326376764 /nfs/dbraw/zinc/37/67/64/326376764.db2.gz KYTKHAOHISGDNA-ZYHUDNBSSA-N 1 2 249.358 1.985 20 0 BDADLO CC[C@@H](C)[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568782243 326377482 /nfs/dbraw/zinc/37/74/82/326377482.db2.gz KFSKRLCOTOGXLV-ZWNOBZJWSA-N 1 2 237.347 1.724 20 0 BDADLO COCc1noc([C@@H]([NH3+])c2ccccc2OC)n1 ZINC000568864861 326379843 /nfs/dbraw/zinc/37/98/43/326379843.db2.gz SYKBCBPHZOYGEJ-NSHDSACASA-N 1 2 249.270 1.273 20 0 BDADLO C[C@H]1C[C@H](Nc2nc(N)c3ccccc3[nH+]2)CO1 ZINC000568994770 326385361 /nfs/dbraw/zinc/38/53/61/326385361.db2.gz HATSRYZEEYIXRF-IUCAKERBSA-N 1 2 244.298 1.054 20 0 BDADLO CC1(C)OCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000569075746 326388793 /nfs/dbraw/zinc/38/87/93/326388793.db2.gz VIWOVXSWIQRWHR-SECBINFHSA-N 1 2 237.303 1.604 20 0 BDADLO CC1(C)OCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000569075747 326388841 /nfs/dbraw/zinc/38/88/41/326388841.db2.gz VIWOVXSWIQRWHR-VIFPVBQESA-N 1 2 237.303 1.604 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000569200208 326394806 /nfs/dbraw/zinc/39/48/06/326394806.db2.gz LHAMZOFIQAXVHB-PTEHBNRSSA-N 1 2 240.347 1.502 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000569200208 326394808 /nfs/dbraw/zinc/39/48/08/326394808.db2.gz LHAMZOFIQAXVHB-PTEHBNRSSA-N 1 2 240.347 1.502 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)NCCn1cc[nH+]c1 ZINC000159293001 326394893 /nfs/dbraw/zinc/39/48/93/326394893.db2.gz ALFZMJVSDHQIAX-QWRGUYRKSA-N 1 2 236.319 1.466 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000569298757 326398978 /nfs/dbraw/zinc/39/89/78/326398978.db2.gz SWOLEKMZVVPCEU-GDNZZTSVSA-N 1 2 246.314 1.207 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ccn(C(C)C)n1 ZINC000572975452 326422198 /nfs/dbraw/zinc/42/21/98/326422198.db2.gz VFXFSYCGNGAISQ-UHFFFAOYSA-N 1 2 245.330 1.905 20 0 BDADLO CN(C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C1CC1 ZINC000573125889 326431071 /nfs/dbraw/zinc/43/10/71/326431071.db2.gz YRSZUANQKDUVNF-LLVKDONJSA-N 1 2 248.330 1.675 20 0 BDADLO CC[C@@H](C)N(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667256808 487975940 /nfs/dbraw/zinc/97/59/40/487975940.db2.gz UVMWMMMWNARGCY-NXEZZACHSA-N 1 2 238.335 1.921 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](C2CCC2)C1 ZINC000665683061 487982326 /nfs/dbraw/zinc/98/23/26/487982326.db2.gz OIYUCFCDCOBKMZ-LBPRGKRZSA-N 1 2 247.342 1.611 20 0 BDADLO O[C@H]1C[N@@H+]([C@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543610 487982363 /nfs/dbraw/zinc/98/23/63/487982363.db2.gz OFDLJSOVHKFGSS-VHSXEESVSA-N 1 2 217.259 1.797 20 0 BDADLO O[C@H]1C[N@H+]([C@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543610 487982369 /nfs/dbraw/zinc/98/23/69/487982369.db2.gz OFDLJSOVHKFGSS-VHSXEESVSA-N 1 2 217.259 1.797 20 0 BDADLO CC[C@@H](C)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547348 487985212 /nfs/dbraw/zinc/98/52/12/487985212.db2.gz RELJXRHCJBZFBJ-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547348 487985215 /nfs/dbraw/zinc/98/52/15/487985215.db2.gz RELJXRHCJBZFBJ-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+]2C[C@H](O)CC(F)(F)C2)CCO1 ZINC000682558310 487988966 /nfs/dbraw/zinc/98/89/66/487988966.db2.gz KSIKHKVTOURWKM-GMTAPVOTSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+]2C[C@H](O)CC(F)(F)C2)CCO1 ZINC000682558310 487988969 /nfs/dbraw/zinc/98/89/69/487988969.db2.gz KSIKHKVTOURWKM-GMTAPVOTSA-N 1 2 249.301 1.503 20 0 BDADLO CC(C)(CO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000665708040 487996412 /nfs/dbraw/zinc/99/64/12/487996412.db2.gz VPPHWJQOVNZLIV-UHFFFAOYSA-N 1 2 236.319 1.481 20 0 BDADLO CC(C)(CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000665708040 487996418 /nfs/dbraw/zinc/99/64/18/487996418.db2.gz VPPHWJQOVNZLIV-UHFFFAOYSA-N 1 2 236.319 1.481 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000602917146 488002783 /nfs/dbraw/zinc/00/27/83/488002783.db2.gz YCFANRDNPTUEFZ-NWDGAFQWSA-N 1 2 223.320 1.043 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000602917146 488002789 /nfs/dbraw/zinc/00/27/89/488002789.db2.gz YCFANRDNPTUEFZ-NWDGAFQWSA-N 1 2 223.320 1.043 20 0 BDADLO CCN1OC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1=O ZINC000682675615 488010480 /nfs/dbraw/zinc/01/04/80/488010480.db2.gz KYVSEUJQQBTALP-CYBMUJFWSA-N 1 2 248.326 1.589 20 0 BDADLO CCN1OC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1=O ZINC000682675615 488010482 /nfs/dbraw/zinc/01/04/82/488010482.db2.gz KYVSEUJQQBTALP-CYBMUJFWSA-N 1 2 248.326 1.589 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667492467 488025393 /nfs/dbraw/zinc/02/53/93/488025393.db2.gz JNUDAVCOCOGULJ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667492467 488025401 /nfs/dbraw/zinc/02/54/01/488025401.db2.gz JNUDAVCOCOGULJ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C1CCC1 ZINC000668636915 488034544 /nfs/dbraw/zinc/03/45/44/488034544.db2.gz YZHDKRBMEBCXAT-GFCCVEGCSA-N 1 2 234.299 1.566 20 0 BDADLO Cc1cnc(C[NH+]2CC3(CC(F)C3)C2)o1 ZINC000677474095 488045284 /nfs/dbraw/zinc/04/52/84/488045284.db2.gz AYKKECLXGXFRKH-UHFFFAOYSA-N 1 2 210.252 1.917 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000652657234 488048331 /nfs/dbraw/zinc/04/83/31/488048331.db2.gz UYEUGKZLXHQWQS-UTINFBMNSA-N 1 2 234.303 1.597 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)n(C)n1 ZINC000334924498 488061608 /nfs/dbraw/zinc/06/16/08/488061608.db2.gz GDOLZQIAQHRQTG-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)n(C)n1 ZINC000334924498 488061616 /nfs/dbraw/zinc/06/16/16/488061616.db2.gz GDOLZQIAQHRQTG-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn3c2CCC3)[C@@H]1C ZINC000667639923 488065598 /nfs/dbraw/zinc/06/55/98/488065598.db2.gz GFENOEXVHJRGTK-GHMZBOCLSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn3c2CCC3)[C@@H]1C ZINC000667639923 488065600 /nfs/dbraw/zinc/06/56/00/488065600.db2.gz GFENOEXVHJRGTK-GHMZBOCLSA-N 1 2 235.331 1.439 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnco1 ZINC000677526622 488066117 /nfs/dbraw/zinc/06/61/17/488066117.db2.gz XSXSLWMZLBNADF-UHFFFAOYSA-N 1 2 219.200 1.331 20 0 BDADLO CC(C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC000075682076 488068346 /nfs/dbraw/zinc/06/83/46/488068346.db2.gz AZLGHRVWRMBADN-UHFFFAOYSA-N 1 2 209.293 1.388 20 0 BDADLO CN(Cc1cccn1C)Cc1c[nH+]c2n1CCC2 ZINC000667659314 488077230 /nfs/dbraw/zinc/07/72/30/488077230.db2.gz CRRKIXUCJGQARA-UHFFFAOYSA-N 1 2 244.342 1.800 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)o1 ZINC000685570384 488078068 /nfs/dbraw/zinc/07/80/68/488078068.db2.gz HUXNKJSMLXSVSN-ZJUUUORDSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)o1 ZINC000685570384 488078075 /nfs/dbraw/zinc/07/80/75/488078075.db2.gz HUXNKJSMLXSVSN-ZJUUUORDSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(N[C@H]2CCc3c[nH]nc3C2)cc[nH+]1 ZINC000675159678 488081164 /nfs/dbraw/zinc/08/11/64/488081164.db2.gz TYUBEAVBBUZQNQ-JTQLQIEISA-N 1 2 229.287 1.478 20 0 BDADLO CO[C@]1(C)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000230281512 488081493 /nfs/dbraw/zinc/08/14/93/488081493.db2.gz RDIQIRABHBAZHA-CYBMUJFWSA-N 1 2 236.315 1.579 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)ccn1 ZINC000683002112 488084302 /nfs/dbraw/zinc/08/43/02/488084302.db2.gz YZAKBKSMYXMZIH-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)ccn1 ZINC000683002112 488084304 /nfs/dbraw/zinc/08/43/04/488084304.db2.gz YZAKBKSMYXMZIH-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682507600 488087247 /nfs/dbraw/zinc/08/72/47/488087247.db2.gz PXKFCYPJCMITHP-YVNMAJEFSA-N 1 2 233.315 1.360 20 0 BDADLO CC1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682507599 488087634 /nfs/dbraw/zinc/08/76/34/488087634.db2.gz PXKFCYPJCMITHP-HSOILSAZSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1ccnc(C[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000683018883 488094855 /nfs/dbraw/zinc/09/48/55/488094855.db2.gz AIZHFYJXWWCTBG-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccnc(C[N@@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000683018883 488094863 /nfs/dbraw/zinc/09/48/63/488094863.db2.gz AIZHFYJXWWCTBG-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccn1 ZINC000683019757 488095884 /nfs/dbraw/zinc/09/58/84/488095884.db2.gz QRXNTIHQZJESRY-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccn1 ZINC000683019757 488095885 /nfs/dbraw/zinc/09/58/85/488095885.db2.gz QRXNTIHQZJESRY-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO COCC1([N@H+](C)Cc2nccn2C)CC1 ZINC000677725731 488103721 /nfs/dbraw/zinc/10/37/21/488103721.db2.gz ICMXLTGYRXEKST-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC1([N@@H+](C)Cc2nccn2C)CC1 ZINC000677725731 488103726 /nfs/dbraw/zinc/10/37/26/488103726.db2.gz ICMXLTGYRXEKST-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cc(C)on1 ZINC000160125801 488108999 /nfs/dbraw/zinc/10/89/99/488108999.db2.gz HJKKKYVDMKKLMP-UHFFFAOYSA-N 1 2 234.303 1.879 20 0 BDADLO CCCNC(=O)[C@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734195 488112274 /nfs/dbraw/zinc/11/22/74/488112274.db2.gz QNOOPVAOWNCQSJ-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO CC(C)NC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734157 488112652 /nfs/dbraw/zinc/11/26/52/488112652.db2.gz QIILOOFHMYNWIX-UHFFFAOYSA-N 1 2 232.274 1.242 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000666399996 488113175 /nfs/dbraw/zinc/11/31/75/488113175.db2.gz MWVGOABQHRXVSC-GFCCVEGCSA-N 1 2 225.263 1.563 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000666399996 488113179 /nfs/dbraw/zinc/11/31/79/488113179.db2.gz MWVGOABQHRXVSC-GFCCVEGCSA-N 1 2 225.263 1.563 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000677803048 488125927 /nfs/dbraw/zinc/12/59/27/488125927.db2.gz XARRFPQJERSOOA-VIFPVBQESA-N 1 2 238.335 1.145 20 0 BDADLO CC(=O)NC1CCC([N@H+](C)CC(F)F)CC1 ZINC000680120978 487538860 /nfs/dbraw/zinc/53/88/60/487538860.db2.gz RWPCLNQKCHNJCQ-UHFFFAOYSA-N 1 2 234.290 1.631 20 0 BDADLO CC(=O)NC1CCC([N@@H+](C)CC(F)F)CC1 ZINC000680120978 487538863 /nfs/dbraw/zinc/53/88/63/487538863.db2.gz RWPCLNQKCHNJCQ-UHFFFAOYSA-N 1 2 234.290 1.631 20 0 BDADLO CN(CCCCCO)c1cc(CO)cc[nH+]1 ZINC000227111416 487540242 /nfs/dbraw/zinc/54/02/42/487540242.db2.gz NMGYHYHGMFRCNH-UHFFFAOYSA-N 1 2 224.304 1.173 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@H](O)C2CC2)no1 ZINC000685566343 487548321 /nfs/dbraw/zinc/54/83/21/487548321.db2.gz ITEUJEDGGXOLFM-XVKPBYJWSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@H](O)C2CC2)no1 ZINC000685566343 487548327 /nfs/dbraw/zinc/54/83/27/487548327.db2.gz ITEUJEDGGXOLFM-XVKPBYJWSA-N 1 2 225.292 1.142 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccnn2C)c1 ZINC000680257398 487553521 /nfs/dbraw/zinc/55/35/21/487553521.db2.gz CIABDGZJYOGIFF-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccccn2)c1 ZINC000680255230 487553433 /nfs/dbraw/zinc/55/34/33/487553433.db2.gz CZAGWQXJVNPBDX-UHFFFAOYSA-N 1 2 242.282 1.795 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCOC[C@@H]2C)s1 ZINC000680068916 487530979 /nfs/dbraw/zinc/53/09/79/487530979.db2.gz PVPYQHNHEJQKMH-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCCOC[C@@H]2C)s1 ZINC000680068916 487530980 /nfs/dbraw/zinc/53/09/80/487530980.db2.gz PVPYQHNHEJQKMH-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cnco2)c1 ZINC000680263505 487555321 /nfs/dbraw/zinc/55/53/21/487555321.db2.gz WRIPAMLGIZDTBB-UHFFFAOYSA-N 1 2 232.243 1.388 20 0 BDADLO Cc1cccn2c(C[NH2+]Cc3ncc[nH]3)cnc12 ZINC000673898695 487472381 /nfs/dbraw/zinc/47/23/81/487472381.db2.gz OKAAXFIXPOJWMQ-UHFFFAOYSA-N 1 2 241.298 1.656 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000679853170 487472972 /nfs/dbraw/zinc/47/29/72/487472972.db2.gz JEBLNOHHABPAGI-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO CO[C@H](C)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000679853170 487472975 /nfs/dbraw/zinc/47/29/75/487472975.db2.gz JEBLNOHHABPAGI-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NCC1(C)CC1)CC2 ZINC000679895565 487482706 /nfs/dbraw/zinc/48/27/06/487482706.db2.gz JXVMEIAHUSADOW-UHFFFAOYSA-N 1 2 248.330 1.517 20 0 BDADLO Cc1c(C(=O)Nc2cc[nH+]cc2O)ccn1C ZINC000684976943 487479715 /nfs/dbraw/zinc/47/97/15/487479715.db2.gz MPDYQLYOPFEEMP-UHFFFAOYSA-N 1 2 231.255 1.108 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CC12CCCC2 ZINC000673936096 487485229 /nfs/dbraw/zinc/48/52/29/487485229.db2.gz VCMJAMYZGOREPV-SECBINFHSA-N 1 2 232.283 1.728 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000673935345 487485454 /nfs/dbraw/zinc/48/54/54/487485454.db2.gz MTTPDRNLQHAHHD-VIFPVBQESA-N 1 2 225.292 1.087 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000673935345 487485456 /nfs/dbraw/zinc/48/54/56/487485456.db2.gz MTTPDRNLQHAHHD-VIFPVBQESA-N 1 2 225.292 1.087 20 0 BDADLO O=C(CCCF)N1CC(n2cc[nH+]c2)C1 ZINC000668759328 487493007 /nfs/dbraw/zinc/49/30/07/487493007.db2.gz VHAVNWAPNVPHMR-UHFFFAOYSA-N 1 2 211.240 1.016 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000668759442 487493105 /nfs/dbraw/zinc/49/31/05/487493105.db2.gz IDXIXTMFKKWFNX-ZYHUDNBSSA-N 1 2 249.314 1.082 20 0 BDADLO Cn1nnc(C[N@H+](C2CC2)C2CCCCC2)n1 ZINC000685034336 487494013 /nfs/dbraw/zinc/49/40/13/487494013.db2.gz FCSWWVKWVDUEJN-UHFFFAOYSA-N 1 2 235.335 1.507 20 0 BDADLO Cn1nnc(C[N@@H+](C2CC2)C2CCCCC2)n1 ZINC000685034336 487494015 /nfs/dbraw/zinc/49/40/15/487494015.db2.gz FCSWWVKWVDUEJN-UHFFFAOYSA-N 1 2 235.335 1.507 20 0 BDADLO CC(C)c1nc(CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000677802300 487497035 /nfs/dbraw/zinc/49/70/35/487497035.db2.gz PPOFDNSOXFIVBL-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO Cn1c(C[N@H+]2CC=CCC2)nnc1C1CCC1 ZINC000679935863 487498131 /nfs/dbraw/zinc/49/81/31/487498131.db2.gz RBMFWFBZENMGOP-UHFFFAOYSA-N 1 2 232.331 1.845 20 0 BDADLO Cn1c(C[N@@H+]2CC=CCC2)nnc1C1CCC1 ZINC000679935863 487498135 /nfs/dbraw/zinc/49/81/35/487498135.db2.gz RBMFWFBZENMGOP-UHFFFAOYSA-N 1 2 232.331 1.845 20 0 BDADLO CCNC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674047588 487504009 /nfs/dbraw/zinc/50/40/09/487504009.db2.gz NGCLXHODPJQSEI-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674047588 487504015 /nfs/dbraw/zinc/50/40/15/487504015.db2.gz NGCLXHODPJQSEI-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(-c2nccs2)n1 ZINC000685350783 487514000 /nfs/dbraw/zinc/51/40/00/487514000.db2.gz YDBDXSFRFPVUKA-UHFFFAOYSA-N 1 2 247.283 1.517 20 0 BDADLO CC[C@@H](F)C[NH2+][C@@H](C)c1nncn1C ZINC000336664308 487517443 /nfs/dbraw/zinc/51/74/43/487517443.db2.gz UQXUDSQIFIMJJE-JGVFFNPUSA-N 1 2 200.261 1.214 20 0 BDADLO Cc1cnc(CCNc2cccc[nH+]2)cn1 ZINC000665724341 487518491 /nfs/dbraw/zinc/51/84/91/487518491.db2.gz INFKMSCQXJRNJS-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCOC[C@H]2C)nn1 ZINC000685418684 487518606 /nfs/dbraw/zinc/51/86/06/487518606.db2.gz AQOHHYPIQLNDBN-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCOC[C@H]2C)nn1 ZINC000685418684 487518609 /nfs/dbraw/zinc/51/86/09/487518609.db2.gz AQOHHYPIQLNDBN-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000685426532 487521351 /nfs/dbraw/zinc/52/13/51/487521351.db2.gz XZNYMDWNGYBFMO-KOLCDFICSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000685426532 487521354 /nfs/dbraw/zinc/52/13/54/487521354.db2.gz XZNYMDWNGYBFMO-KOLCDFICSA-N 1 2 225.311 1.908 20 0 BDADLO Cn1cncc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000685435067 487522151 /nfs/dbraw/zinc/52/21/51/487522151.db2.gz ZSTDKSVFYVVINU-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO c1cc([C@@H]2CCCC[N@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000685438158 487523170 /nfs/dbraw/zinc/52/31/70/487523170.db2.gz RQHDBMYTNUYCOV-LBPRGKRZSA-N 1 2 231.303 1.860 20 0 BDADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000685438158 487523172 /nfs/dbraw/zinc/52/31/72/487523172.db2.gz RQHDBMYTNUYCOV-LBPRGKRZSA-N 1 2 231.303 1.860 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)CC(F)(F)F ZINC000670983256 487535618 /nfs/dbraw/zinc/53/56/18/487535618.db2.gz ZJAJCEYEKAMUJF-SSDOTTSWSA-N 1 2 237.225 1.155 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)CC(F)(F)F ZINC000670983256 487535626 /nfs/dbraw/zinc/53/56/26/487535626.db2.gz ZJAJCEYEKAMUJF-SSDOTTSWSA-N 1 2 237.225 1.155 20 0 BDADLO Cn1c[nH+]c(CCNc2nc3ccccn3n2)c1 ZINC000313469125 487641889 /nfs/dbraw/zinc/64/18/89/487641889.db2.gz FUAXCUCKYIESBB-UHFFFAOYSA-N 1 2 242.286 1.117 20 0 BDADLO Cn1c[nH+]c(CCNc2ncncc2Cl)c1 ZINC000313442870 487641904 /nfs/dbraw/zinc/64/19/04/487641904.db2.gz KBHMTESELKEKJU-UHFFFAOYSA-N 1 2 237.694 1.518 20 0 BDADLO CCN(C[C@H]1CCOC1)c1cc[nH+]c(C)n1 ZINC000676491480 487855729 /nfs/dbraw/zinc/85/57/29/487855729.db2.gz DCHWCQORDSSCKU-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC000652466583 487952624 /nfs/dbraw/zinc/95/26/24/487952624.db2.gz YQVLMELHYAQPTC-NXEZZACHSA-N 1 2 219.288 1.503 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)on1 ZINC000677803089 488125570 /nfs/dbraw/zinc/12/55/70/488125570.db2.gz YJRLMKVFIICHMG-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1c(Cl)c(C[NH2+]C2([C@@H](C)O)CC2)nn1C ZINC000668701640 488137663 /nfs/dbraw/zinc/13/76/63/488137663.db2.gz RCNCHOFQFGCTRH-MRVPVSSYSA-N 1 2 243.738 1.385 20 0 BDADLO CN(C[C@H](O)C1CC1)c1cc[nH+]c2ccncc21 ZINC000677881710 488145704 /nfs/dbraw/zinc/14/57/04/488145704.db2.gz WPOZVMZGJIAWEL-AWEZNQCLSA-N 1 2 243.310 1.837 20 0 BDADLO CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)O ZINC000294203373 488146988 /nfs/dbraw/zinc/14/69/88/488146988.db2.gz SKAWTBUCOIHAOP-JTQLQIEISA-N 1 2 239.319 1.008 20 0 BDADLO CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)O ZINC000294203373 488146996 /nfs/dbraw/zinc/14/69/96/488146996.db2.gz SKAWTBUCOIHAOP-JTQLQIEISA-N 1 2 239.319 1.008 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)C(=O)NCc1ccco1 ZINC000148838169 488151612 /nfs/dbraw/zinc/15/16/12/488151612.db2.gz KIUPXPIKKAPRQQ-SECBINFHSA-N 1 2 249.270 1.062 20 0 BDADLO CN(C(=O)NCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000683436840 488161395 /nfs/dbraw/zinc/16/13/95/488161395.db2.gz GHFBZNKFMRKAMX-UHFFFAOYSA-N 1 2 248.261 1.895 20 0 BDADLO CC(C)[C@H]1CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000667943941 488164723 /nfs/dbraw/zinc/16/47/23/488164723.db2.gz BTBBDAJHGRSNSG-CYBMUJFWSA-N 1 2 249.358 1.686 20 0 BDADLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000677956826 488165838 /nfs/dbraw/zinc/16/58/38/488165838.db2.gz DYGOZOFYTUEFRZ-VHSXEESVSA-N 1 2 234.303 1.112 20 0 BDADLO COc1ccc(NCc2cnc(C)o2)[nH+]c1 ZINC000397894315 488166775 /nfs/dbraw/zinc/16/67/75/488166775.db2.gz HYPYZWQVCIDTDJ-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO O=C(NCC1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681550940 488167570 /nfs/dbraw/zinc/16/75/70/488167570.db2.gz JCPYWZATXHSTAM-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO FC(F)(F)[C@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000677983985 488168497 /nfs/dbraw/zinc/16/84/97/488168497.db2.gz FSDCEIWMNZXXLD-SECBINFHSA-N 1 2 249.236 1.146 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000681554118 488172860 /nfs/dbraw/zinc/17/28/60/488172860.db2.gz MHZVZLHWXCTMTF-UTUOFQBUSA-N 1 2 247.342 1.560 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccoc1 ZINC000672150500 488172950 /nfs/dbraw/zinc/17/29/50/488172950.db2.gz NOWVQXWRFUZNDV-SNVBAGLBSA-N 1 2 231.255 1.221 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627372656 488182538 /nfs/dbraw/zinc/18/25/38/488182538.db2.gz SSSOVGPSJULQTF-NXEZZACHSA-N 1 2 233.315 1.731 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627372656 488182544 /nfs/dbraw/zinc/18/25/44/488182544.db2.gz SSSOVGPSJULQTF-NXEZZACHSA-N 1 2 233.315 1.731 20 0 BDADLO Cn1nccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655688138 488189132 /nfs/dbraw/zinc/18/91/32/488189132.db2.gz MTBZCWBKXOWQLJ-LLVKDONJSA-N 1 2 231.303 1.241 20 0 BDADLO O=C(c1nccs1)N1CC[NH+](C2CC2)CC1 ZINC000683542941 488191676 /nfs/dbraw/zinc/19/16/76/488191676.db2.gz XHVXZNDWVZDEHK-UHFFFAOYSA-N 1 2 237.328 1.063 20 0 BDADLO C[C@@H](O)[C@H](C)SCc1ccc[nH+]c1N ZINC000300341120 488194536 /nfs/dbraw/zinc/19/45/36/488194536.db2.gz SDUPZAHYYAYYRX-SFYZADRCSA-N 1 2 212.318 1.666 20 0 BDADLO CC[C@@H](NC(=O)c1nccs1)c1[nH]cc[nH+]1 ZINC000683572752 488199397 /nfs/dbraw/zinc/19/93/97/488199397.db2.gz XHWLEPOXXOHZEB-SSDOTTSWSA-N 1 2 236.300 1.747 20 0 BDADLO OC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678124103 488200209 /nfs/dbraw/zinc/20/02/09/488200209.db2.gz SFFWKMRPWSUEKW-UHFFFAOYSA-N 1 2 249.289 1.430 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1NC(=O)[C@@H]2C[C@@H](C)CCN12 ZINC000668121818 488206380 /nfs/dbraw/zinc/20/63/80/488206380.db2.gz PTSRTBYKCIEQNY-JBLDHEPKSA-N 1 2 248.330 1.132 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCc1[nH+]ccn1C ZINC000668193326 488219732 /nfs/dbraw/zinc/21/97/32/488219732.db2.gz ATVPBDOJFOCJBW-JTQLQIEISA-N 1 2 247.298 1.508 20 0 BDADLO CCN(CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000085959326 488221066 /nfs/dbraw/zinc/22/10/66/488221066.db2.gz YSYFPAGDRXOUII-UHFFFAOYSA-N 1 2 210.281 1.303 20 0 BDADLO CCCn1nccc1C[N@H+](C(C)C)C1COC1 ZINC000668200211 488222923 /nfs/dbraw/zinc/22/29/23/488222923.db2.gz QXQBVWBYXXLNLD-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@@H+](C(C)C)C1COC1 ZINC000668200211 488222926 /nfs/dbraw/zinc/22/29/26/488222926.db2.gz QXQBVWBYXXLNLD-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO CC1(CN2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000683825341 488226684 /nfs/dbraw/zinc/22/66/84/488226684.db2.gz AUFOKRVNMMBFKF-CYBMUJFWSA-N 1 2 238.375 1.583 20 0 BDADLO CCn1nccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000678275931 488235194 /nfs/dbraw/zinc/23/51/94/488235194.db2.gz LNNOEVGWQWOLEK-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1nccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000678275931 488235195 /nfs/dbraw/zinc/23/51/95/488235195.db2.gz LNNOEVGWQWOLEK-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1nccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678275931 488235196 /nfs/dbraw/zinc/23/51/96/488235196.db2.gz LNNOEVGWQWOLEK-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1nccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678275931 488235197 /nfs/dbraw/zinc/23/51/97/488235197.db2.gz LNNOEVGWQWOLEK-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CN(C)c1ccc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000678315011 488239948 /nfs/dbraw/zinc/23/99/48/488239948.db2.gz KHIWOIAAMWIFIR-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CCCN(Cc1cn(C)c[nH+]1)CC(F)F ZINC000683899136 488240843 /nfs/dbraw/zinc/24/08/43/488240843.db2.gz YERDUOYUAPABBT-UHFFFAOYSA-N 1 2 217.263 1.897 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672156519 488242512 /nfs/dbraw/zinc/24/25/12/488242512.db2.gz MRZHKHJSFLHPOM-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155597 488242518 /nfs/dbraw/zinc/24/25/18/488242518.db2.gz CKIGWOXNXIZNAW-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153685 488242727 /nfs/dbraw/zinc/24/27/27/488242727.db2.gz AUIDXFZQMPJMBY-DRZSPHRISA-N 1 2 247.342 1.606 20 0 BDADLO CC(C)(C(=O)Nc1ccccn1)c1c[nH+]c[nH]1 ZINC000683918039 488244372 /nfs/dbraw/zinc/24/43/72/488244372.db2.gz ZSCCRBVDYMOIID-UHFFFAOYSA-N 1 2 230.271 1.721 20 0 BDADLO CC(C)(C(=O)Nc1ccccn1)c1c[nH]c[nH+]1 ZINC000683918039 488244375 /nfs/dbraw/zinc/24/43/75/488244375.db2.gz ZSCCRBVDYMOIID-UHFFFAOYSA-N 1 2 230.271 1.721 20 0 BDADLO CCc1nc(N2CCC[C@@H]2COC)cc(C)[nH+]1 ZINC000672230611 488246559 /nfs/dbraw/zinc/24/65/59/488246559.db2.gz NDPCDHXTFPYSSY-LLVKDONJSA-N 1 2 235.331 1.963 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCOC[C@@H]1C ZINC000683995428 488254141 /nfs/dbraw/zinc/25/41/41/488254141.db2.gz YXJDZCYNRJZQLT-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCOC[C@@H]1C ZINC000683995428 488254144 /nfs/dbraw/zinc/25/41/44/488254144.db2.gz YXJDZCYNRJZQLT-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CCc1cncc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000684049607 488258114 /nfs/dbraw/zinc/25/81/14/488258114.db2.gz YFDXZEUICKLNQO-UHFFFAOYSA-N 1 2 244.298 1.340 20 0 BDADLO Cc1cccnc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000678515999 488263608 /nfs/dbraw/zinc/26/36/08/488263608.db2.gz GZRNGTUDVRNMLS-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1cccnc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000678515999 488263610 /nfs/dbraw/zinc/26/36/10/488263610.db2.gz GZRNGTUDVRNMLS-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000684107486 488267415 /nfs/dbraw/zinc/26/74/15/488267415.db2.gz IKWRGQZPIXHTEL-MRVPVSSYSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000684107486 488267418 /nfs/dbraw/zinc/26/74/18/488267418.db2.gz IKWRGQZPIXHTEL-MRVPVSSYSA-N 1 2 241.360 1.303 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C1CC1 ZINC000672854403 488267952 /nfs/dbraw/zinc/26/79/52/488267952.db2.gz BFTDPRYQXSXYBM-LBPRGKRZSA-N 1 2 233.315 1.364 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000672957245 488269997 /nfs/dbraw/zinc/26/99/97/488269997.db2.gz QTVHYPOWRHMIPK-JTQLQIEISA-N 1 2 235.331 1.610 20 0 BDADLO CC[N@H+](CC(F)F)C[C@@H]1CNc2ccnn2C1 ZINC000684196677 488274663 /nfs/dbraw/zinc/27/46/63/488274663.db2.gz BGOBJWCKMZPVLE-VIFPVBQESA-N 1 2 244.289 1.512 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@@H]1CNc2ccnn2C1 ZINC000684196677 488274666 /nfs/dbraw/zinc/27/46/66/488274666.db2.gz BGOBJWCKMZPVLE-VIFPVBQESA-N 1 2 244.289 1.512 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(F)(F)CC1 ZINC000673147045 488277234 /nfs/dbraw/zinc/27/72/34/488277234.db2.gz FWBDGUJQUVRKBR-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO O=c1ccccn1CC[N@H+]1CCC=C(F)C1 ZINC000679320802 488335307 /nfs/dbraw/zinc/33/53/07/488335307.db2.gz OTCIRKHZLGBMIT-UHFFFAOYSA-N 1 2 222.263 1.407 20 0 BDADLO O=c1ccccn1CC[N@@H+]1CCC=C(F)C1 ZINC000679320802 488335310 /nfs/dbraw/zinc/33/53/10/488335310.db2.gz OTCIRKHZLGBMIT-UHFFFAOYSA-N 1 2 222.263 1.407 20 0 BDADLO Fc1c[nH+]ccc1NCc1ccc2c(c1)OCO2 ZINC000678786897 488282874 /nfs/dbraw/zinc/28/28/74/488282874.db2.gz VEYSJFYWFUOZOL-UHFFFAOYSA-N 1 2 246.241 1.983 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCC(C)C ZINC000678802586 488283243 /nfs/dbraw/zinc/28/32/43/488283243.db2.gz BONUYVMGKGNPNA-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCC(C)C ZINC000678802586 488283246 /nfs/dbraw/zinc/28/32/46/488283246.db2.gz BONUYVMGKGNPNA-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CN(C[C@H]1CCOC1)c1cc[nH+]cc1F ZINC000678787798 488283254 /nfs/dbraw/zinc/28/32/54/488283254.db2.gz ZHAJVPMNXJNYCE-SECBINFHSA-N 1 2 210.252 1.693 20 0 BDADLO CC1(C)CN(c2cc[nH+]cc2F)CCO1 ZINC000678789421 488283799 /nfs/dbraw/zinc/28/37/99/488283799.db2.gz ZMGHAMGADZGJGA-UHFFFAOYSA-N 1 2 210.252 1.836 20 0 BDADLO CN(CC(=O)NC(C)(C)C)c1cc[nH+]cc1F ZINC000678789294 488283920 /nfs/dbraw/zinc/28/39/20/488283920.db2.gz XDEVZCXBJQBTCP-UHFFFAOYSA-N 1 2 239.294 1.572 20 0 BDADLO Cn1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)n1 ZINC000678891776 488293915 /nfs/dbraw/zinc/29/39/15/488293915.db2.gz XQKWIJNFETXJDV-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO COc1ccc[nH+]c1NC1CCN(C(C)=O)CC1 ZINC000678941023 488296933 /nfs/dbraw/zinc/29/69/33/488296933.db2.gz JNTSKMUHYMPGQC-UHFFFAOYSA-N 1 2 249.314 1.513 20 0 BDADLO CCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000684373445 488302317 /nfs/dbraw/zinc/30/23/17/488302317.db2.gz VEFQPWZSSAGDQL-SECBINFHSA-N 1 2 209.293 1.647 20 0 BDADLO CCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000684373445 488302314 /nfs/dbraw/zinc/30/23/14/488302314.db2.gz VEFQPWZSSAGDQL-SECBINFHSA-N 1 2 209.293 1.647 20 0 BDADLO CCN(CC(=O)N(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000673885610 488311171 /nfs/dbraw/zinc/31/11/71/488311171.db2.gz SGJHCGSYFDONQI-UHFFFAOYSA-N 1 2 248.330 1.269 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1Cc2ccc(F)cc21 ZINC000684446003 488314023 /nfs/dbraw/zinc/31/40/23/488314023.db2.gz GIVPHDFVPHDCEF-GFCCVEGCSA-N 1 2 245.257 1.505 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1Cc2ccc(F)cc21 ZINC000684446003 488314024 /nfs/dbraw/zinc/31/40/24/488314024.db2.gz GIVPHDFVPHDCEF-GFCCVEGCSA-N 1 2 245.257 1.505 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)CCC(F)F ZINC000684479193 488320006 /nfs/dbraw/zinc/32/00/06/488320006.db2.gz WTTSZNFSTZRMTE-UHFFFAOYSA-N 1 2 243.257 1.553 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC=CCC1 ZINC000679326920 488339457 /nfs/dbraw/zinc/33/94/57/488339457.db2.gz CJKJFYUZYUOZGN-NSHDSACASA-N 1 2 231.299 1.234 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C[C@H]1F ZINC000679358056 488344450 /nfs/dbraw/zinc/34/44/50/488344450.db2.gz FMNINLSBVSKYLC-ZYHUDNBSSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C[C@H]1F ZINC000679358056 488344452 /nfs/dbraw/zinc/34/44/52/488344452.db2.gz FMNINLSBVSKYLC-ZYHUDNBSSA-N 1 2 248.305 1.909 20 0 BDADLO CCCc1noc(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079769249 490058373 /nfs/dbraw/zinc/05/83/73/490058373.db2.gz JLZSOUFQBXTFQS-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079769249 490058377 /nfs/dbraw/zinc/05/83/77/490058377.db2.gz JLZSOUFQBXTFQS-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1noc(CCNc2cc[nH+]c(C(C)C)n2)n1 ZINC000110382520 490105786 /nfs/dbraw/zinc/10/57/86/490105786.db2.gz IMMOLNUDQHIGRP-UHFFFAOYSA-N 1 2 247.302 1.946 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cncnc1 ZINC000122542643 490150321 /nfs/dbraw/zinc/15/03/21/490150321.db2.gz LLSYEIWMNXCSJP-ZJUUUORDSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cncnc1 ZINC000122542643 490150324 /nfs/dbraw/zinc/15/03/24/490150324.db2.gz LLSYEIWMNXCSJP-ZJUUUORDSA-N 1 2 207.277 1.086 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2nc(C)no2)n1 ZINC000653888238 490154752 /nfs/dbraw/zinc/15/47/52/490154752.db2.gz JXMLJAGJKXWELJ-UHFFFAOYSA-N 1 2 249.318 1.323 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2nc(C)no2)n1 ZINC000653888238 490154756 /nfs/dbraw/zinc/15/47/56/490154756.db2.gz JXMLJAGJKXWELJ-UHFFFAOYSA-N 1 2 249.318 1.323 20 0 BDADLO CC[C@@H](C)N(CC(=O)OC)Cc1cn(C)c[nH+]1 ZINC000595472056 490160266 /nfs/dbraw/zinc/16/02/66/490160266.db2.gz FDCWJEROMXBTKM-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000669246422 490248315 /nfs/dbraw/zinc/24/83/15/490248315.db2.gz JHZNWZXGAKFPBW-SECBINFHSA-N 1 2 233.315 1.526 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000669246422 490248322 /nfs/dbraw/zinc/24/83/22/490248322.db2.gz JHZNWZXGAKFPBW-SECBINFHSA-N 1 2 233.315 1.526 20 0 BDADLO C[C@@H](Cc1nc(N(C)C)no1)n1cc[nH+]c1 ZINC000351404673 490248891 /nfs/dbraw/zinc/24/88/91/490248891.db2.gz LSYOPJRABMQDBS-QMMMGPOBSA-N 1 2 221.264 1.136 20 0 BDADLO C[C@@H]1CCCCN1C(=O)COCc1[nH]cc[nH+]1 ZINC000123886420 490268769 /nfs/dbraw/zinc/26/87/69/490268769.db2.gz NCYWMGIWACJJOM-SNVBAGLBSA-N 1 2 237.303 1.327 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ncc[nH]1 ZINC000124715893 490399436 /nfs/dbraw/zinc/39/94/36/490399436.db2.gz NRENBSFUDOPTGW-SECBINFHSA-N 1 2 217.272 1.966 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000130825650 490454593 /nfs/dbraw/zinc/45/45/93/490454593.db2.gz FEPXTJPWTQURGH-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000126550292 490504307 /nfs/dbraw/zinc/50/43/07/490504307.db2.gz GNRZSFGKVYROPP-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000126550292 490504311 /nfs/dbraw/zinc/50/43/11/490504311.db2.gz GNRZSFGKVYROPP-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128395209 490579087 /nfs/dbraw/zinc/57/90/87/490579087.db2.gz HYWRFNKDCJNFMY-GHMZBOCLSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128395209 490579093 /nfs/dbraw/zinc/57/90/93/490579093.db2.gz HYWRFNKDCJNFMY-GHMZBOCLSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](CO)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000129007672 490596963 /nfs/dbraw/zinc/59/69/63/490596963.db2.gz FHVGFBWRVXLOOZ-SSDOTTSWSA-N 1 2 226.226 1.943 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccccc1 ZINC000222503289 490644201 /nfs/dbraw/zinc/64/42/01/490644201.db2.gz WJQVDPNRFDONAF-UHFFFAOYSA-N 1 2 215.256 1.350 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000139079897 491105144 /nfs/dbraw/zinc/10/51/44/491105144.db2.gz SEJHLVVKOZSRSY-PSASIEDQSA-N 1 2 233.319 1.863 20 0 BDADLO CC[C@@H](NC(=O)c1ncccc1N)c1[nH]cc[nH+]1 ZINC000139495446 491111968 /nfs/dbraw/zinc/11/19/68/491111968.db2.gz GDBYZWGDEKNGJJ-SECBINFHSA-N 1 2 245.286 1.268 20 0 BDADLO CCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668150298 491117242 /nfs/dbraw/zinc/11/72/42/491117242.db2.gz VEWTZVPRXMFLHK-UHFFFAOYSA-N 1 2 218.260 1.784 20 0 BDADLO Cn1ccc(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000081380025 491134658 /nfs/dbraw/zinc/13/46/58/491134658.db2.gz IIJOVCNFGPYHLZ-UHFFFAOYSA-N 1 2 246.314 1.318 20 0 BDADLO CCc1cc(NCC2=CCCOC2)nc[nH+]1 ZINC000309620206 491152596 /nfs/dbraw/zinc/15/25/96/491152596.db2.gz DZDBMGDJFAIOCF-UHFFFAOYSA-N 1 2 219.288 1.798 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(N)=O ZINC000309892176 491157925 /nfs/dbraw/zinc/15/79/25/491157925.db2.gz DACGJNSMJMDORI-SSDOTTSWSA-N 1 2 241.360 1.404 20 0 BDADLO CCc1noc(C[N@@H+]2CCSC(C)(C)C2)n1 ZINC000083417660 491161533 /nfs/dbraw/zinc/16/15/33/491161533.db2.gz UJWKMDIGKWCIAZ-UHFFFAOYSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1noc(C[N@H+]2CCSC(C)(C)C2)n1 ZINC000083417660 491161534 /nfs/dbraw/zinc/16/15/34/491161534.db2.gz UJWKMDIGKWCIAZ-UHFFFAOYSA-N 1 2 241.360 1.959 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000859219550 582486864 /nfs/dbraw/zinc/48/68/64/582486864.db2.gz AZPVWBQXEDVZNX-WDEREUQCSA-N 1 2 244.335 1.232 20 0 BDADLO CCCOC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000859219550 582486866 /nfs/dbraw/zinc/48/68/66/582486866.db2.gz AZPVWBQXEDVZNX-WDEREUQCSA-N 1 2 244.335 1.232 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450032 582588950 /nfs/dbraw/zinc/58/89/50/582588950.db2.gz NWXPMULRRDMTHZ-KNVOCYPGSA-N 1 2 229.230 1.329 20 0 BDADLO CCc1noc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450032 582588952 /nfs/dbraw/zinc/58/89/52/582588952.db2.gz NWXPMULRRDMTHZ-KNVOCYPGSA-N 1 2 229.230 1.329 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493743057 533739479 /nfs/dbraw/zinc/73/94/79/533739479.db2.gz BZKBHKUCXLLNAG-TYWZFMJISA-N 1 2 247.220 1.880 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\Cl ZINC000891201239 582627312 /nfs/dbraw/zinc/62/73/12/582627312.db2.gz WLBZYCQUAWGDEZ-BNEREYBLSA-N 1 2 239.706 1.392 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC/C=C/Cl ZINC000891203157 582629489 /nfs/dbraw/zinc/62/94/89/582629489.db2.gz PRAVUSKHFAVXGD-DAFODLJHSA-N 1 2 213.668 1.211 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC/C=C/Cl ZINC000891203157 582629490 /nfs/dbraw/zinc/62/94/90/582629490.db2.gz PRAVUSKHFAVXGD-DAFODLJHSA-N 1 2 213.668 1.211 20 0 BDADLO O=C(NC/C=C\Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC000891204694 582630467 /nfs/dbraw/zinc/63/04/67/582630467.db2.gz KKDJBZJOQXTYIX-MBMUTDPPSA-N 1 2 239.706 1.314 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856004 533890892 /nfs/dbraw/zinc/89/08/92/533890892.db2.gz BBNJXMPSWSGYDN-RDOIKZAQSA-N 1 2 219.288 1.728 20 0 BDADLO C[C@@H]1CCC[C@]1(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493285023 533903490 /nfs/dbraw/zinc/90/34/90/533903490.db2.gz CAMSFAXWANVMDB-KXQOAOKJSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493122794 533906801 /nfs/dbraw/zinc/90/68/01/533906801.db2.gz UFKUMMQHPSXNBJ-HLKOZVMDSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCOC1(C)C ZINC000492810506 534117459 /nfs/dbraw/zinc/11/74/59/534117459.db2.gz IGFWOBSSFJLOHY-ORAHPGNNSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493154925 534177396 /nfs/dbraw/zinc/17/73/96/534177396.db2.gz OYQWMMRNVOOWJD-MOVJSRMASA-N 1 2 205.261 1.434 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493419909 534185839 /nfs/dbraw/zinc/18/58/39/534185839.db2.gz JLLPEAHBGPVBTC-BIMKLNOUSA-N 1 2 235.287 1.107 20 0 BDADLO CN(C)c1cc(NCc2nccs2)[nH+]cn1 ZINC000891862942 582731141 /nfs/dbraw/zinc/73/11/41/582731141.db2.gz XMDCWCFCGXWWDI-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CN(C)c1cc(NCc2nccs2)nc[nH+]1 ZINC000891862942 582731143 /nfs/dbraw/zinc/73/11/43/582731143.db2.gz XMDCWCFCGXWWDI-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000891934716 582740759 /nfs/dbraw/zinc/74/07/59/582740759.db2.gz LKPMJNREFHNJSX-MRVPVSSYSA-N 1 2 243.738 1.846 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000891934716 582740761 /nfs/dbraw/zinc/74/07/61/582740761.db2.gz LKPMJNREFHNJSX-MRVPVSSYSA-N 1 2 243.738 1.846 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348220867 536104080 /nfs/dbraw/zinc/10/40/80/536104080.db2.gz CUIIFKIEBOKMTE-JLLWLGSASA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348220867 536104081 /nfs/dbraw/zinc/10/40/81/536104081.db2.gz CUIIFKIEBOKMTE-JLLWLGSASA-N 1 2 241.331 1.437 20 0 BDADLO C[C@@H](F)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493324366 534277088 /nfs/dbraw/zinc/27/70/88/534277088.db2.gz PZZLMIUBKVMARW-YAJNLLPGSA-N 1 2 211.240 1.287 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492773012 534275023 /nfs/dbraw/zinc/27/50/23/534275023.db2.gz UGCLDMUUNYRWED-HIHHVFROSA-N 1 2 219.288 1.537 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000488125066 534279079 /nfs/dbraw/zinc/27/90/79/534279079.db2.gz DKTQEDOXWHJGNY-QWRGUYRKSA-N 1 2 241.331 1.485 20 0 BDADLO CCc1nc(C2([NH2+]CCOC)CCCC2)no1 ZINC000173689693 536127496 /nfs/dbraw/zinc/12/74/96/536127496.db2.gz RFNQRGXVZLVALL-UHFFFAOYSA-N 1 2 239.319 1.637 20 0 BDADLO CCc1nc(N2C[C@H](C)OC[C@@H]2C)cc(C)[nH+]1 ZINC000286209035 536126748 /nfs/dbraw/zinc/12/67/48/536126748.db2.gz SCQKPFJAXVVIBB-QWRGUYRKSA-N 1 2 235.331 1.961 20 0 BDADLO Cc1noc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493362946 534369420 /nfs/dbraw/zinc/36/94/20/534369420.db2.gz ZQGHIWRGIGYLGJ-ONEGZZNKSA-N 1 2 232.243 1.666 20 0 BDADLO Cc1nc(N2CCC[C@H]2C(C)C)nc(N(C)C)[nH+]1 ZINC000488373074 534436041 /nfs/dbraw/zinc/43/60/41/534436041.db2.gz MXJRZLLGWOIKCP-NSHDSACASA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H]2C(C)C)[nH+]1 ZINC000488373074 534436052 /nfs/dbraw/zinc/43/60/52/534436052.db2.gz MXJRZLLGWOIKCP-NSHDSACASA-N 1 2 249.362 1.871 20 0 BDADLO CC(=O)NCC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000340940220 534457453 /nfs/dbraw/zinc/45/74/53/534457453.db2.gz SCBPGFKKDQRHEP-CYBMUJFWSA-N 1 2 247.342 1.824 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\C1CCCC1 ZINC000493100417 534787024 /nfs/dbraw/zinc/78/70/24/534787024.db2.gz AYFNCLUJYZVXJJ-SREVYHEPSA-N 1 2 233.315 1.783 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000494130940 534811300 /nfs/dbraw/zinc/81/13/00/534811300.db2.gz DMTSISRLCVZQFQ-GFCCVEGCSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000494130940 534811304 /nfs/dbraw/zinc/81/13/04/534811304.db2.gz DMTSISRLCVZQFQ-GFCCVEGCSA-N 1 2 247.298 1.108 20 0 BDADLO CC(C)(C)OC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000495529250 526494113 /nfs/dbraw/zinc/49/41/13/526494113.db2.gz NEHCGCLSKTXJDV-VIFPVBQESA-N 1 2 237.303 1.723 20 0 BDADLO CC(C)(O)CC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000488183031 527328709 /nfs/dbraw/zinc/32/87/09/527328709.db2.gz MDISYALTAPIFNE-UHFFFAOYSA-N 1 2 247.302 1.235 20 0 BDADLO C/C=C(/C=C\C(=O)NCc1c[nH+]cn1C)CC ZINC000493845475 527561387 /nfs/dbraw/zinc/56/13/87/527561387.db2.gz AZPIQBFGYJABNF-BJNIYONUSA-N 1 2 233.315 1.949 20 0 BDADLO CC(C)(C)C1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493479337 527635023 /nfs/dbraw/zinc/63/50/23/527635023.db2.gz IQUMLVNPXXODSD-PLNGDYQASA-N 1 2 233.315 1.927 20 0 BDADLO CC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493186328 527684293 /nfs/dbraw/zinc/68/42/93/527684293.db2.gz HBOJBVCHECQDHL-SNAWJCMRSA-N 1 2 207.277 1.585 20 0 BDADLO CCCN(C(=O)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000505393992 527777688 /nfs/dbraw/zinc/77/76/88/527777688.db2.gz GCUIXPJUIAWBJQ-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492856289 527793091 /nfs/dbraw/zinc/79/30/91/527793091.db2.gz BNUZUNAYTVJBPT-BYCRGOAPSA-N 1 2 233.315 1.927 20 0 BDADLO CCC1CN(C(=O)/C=C\c2[nH+]ccn2CC)C1 ZINC000493688941 527873483 /nfs/dbraw/zinc/87/34/83/527873483.db2.gz KGGKAVXWVXJRQZ-WAYWQWQTSA-N 1 2 233.315 1.785 20 0 BDADLO CC1(CC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000401252530 527913268 /nfs/dbraw/zinc/91/32/68/527913268.db2.gz AYNBJPPSQFPBMI-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CCCN(CC(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493194976 527930772 /nfs/dbraw/zinc/93/07/72/527930772.db2.gz VBWKFIFASXJIRE-ONEGZZNKSA-N 1 2 243.257 1.927 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360638473 536525213 /nfs/dbraw/zinc/52/52/13/536525213.db2.gz ZXYNYCGVDGUGAA-GFCCVEGCSA-N 1 2 248.326 1.370 20 0 BDADLO COC[C@@H](C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360638473 536525219 /nfs/dbraw/zinc/52/52/19/536525219.db2.gz ZXYNYCGVDGUGAA-GFCCVEGCSA-N 1 2 248.326 1.370 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccn1CC ZINC000494933510 527955545 /nfs/dbraw/zinc/95/55/45/527955545.db2.gz FTFRDLTVSKQEFE-NSHDSACASA-N 1 2 238.331 1.891 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccn1CC ZINC000494933510 527955550 /nfs/dbraw/zinc/95/55/50/527955550.db2.gz FTFRDLTVSKQEFE-NSHDSACASA-N 1 2 238.331 1.891 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493778005 527972882 /nfs/dbraw/zinc/97/28/82/527972882.db2.gz BEHXKACEOOXQBT-PYIQSQQJSA-N 1 2 233.315 1.974 20 0 BDADLO CC1(F)CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493562022 528012894 /nfs/dbraw/zinc/01/28/94/528012894.db2.gz UGBMCERYHXSJAK-NSCUHMNNSA-N 1 2 223.251 1.430 20 0 BDADLO CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOCC1 ZINC000493624977 528018902 /nfs/dbraw/zinc/01/89/02/528018902.db2.gz VGOVOQUVSRAFGF-NSCUHMNNSA-N 1 2 235.287 1.108 20 0 BDADLO CC(C)O[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493491243 528058023 /nfs/dbraw/zinc/05/80/23/528058023.db2.gz PVVNETOMYAAQFF-AAOUONPWSA-N 1 2 249.314 1.449 20 0 BDADLO CC1=CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493681551 528095706 /nfs/dbraw/zinc/09/57/06/528095706.db2.gz ZLQZSYPZCXOADM-SNAWJCMRSA-N 1 2 217.272 1.602 20 0 BDADLO CCCCN(CCO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493614175 528420157 /nfs/dbraw/zinc/42/01/57/528420157.db2.gz HREHPIBZQBQUHW-SNAWJCMRSA-N 1 2 237.303 1.044 20 0 BDADLO CCO/C=C/C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000493783681 528459028 /nfs/dbraw/zinc/45/90/28/528459028.db2.gz REXLTGXCJHMSHS-VMPITWQZSA-N 1 2 249.314 1.666 20 0 BDADLO CCO/C=C/C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000493783681 528459034 /nfs/dbraw/zinc/45/90/34/528459034.db2.gz REXLTGXCJHMSHS-VMPITWQZSA-N 1 2 249.314 1.666 20 0 BDADLO CCO/C=C\C(=O)Nc1ccc[nH+]c1N(C)C ZINC000493527498 528541087 /nfs/dbraw/zinc/54/10/87/528541087.db2.gz OVVVXUTZLUORHG-CLFYSBASSA-N 1 2 235.287 1.636 20 0 BDADLO CCC(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493161624 528541404 /nfs/dbraw/zinc/54/14/04/528541404.db2.gz TUOVRYUVXUOISQ-AATRIKPKSA-N 1 2 207.277 1.728 20 0 BDADLO CC(C)n1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493195791 528678401 /nfs/dbraw/zinc/67/84/01/528678401.db2.gz ITUZLMVFFHLUBC-ONEGZZNKSA-N 1 2 245.286 1.839 20 0 BDADLO CCOCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000488102593 528713909 /nfs/dbraw/zinc/71/39/09/528713909.db2.gz JWYBMWYSBQABQW-UHFFFAOYSA-N 1 2 248.277 1.012 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000488102593 528713914 /nfs/dbraw/zinc/71/39/14/528713914.db2.gz JWYBMWYSBQABQW-UHFFFAOYSA-N 1 2 248.277 1.012 20 0 BDADLO CCOCCN(CC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493587563 528715276 /nfs/dbraw/zinc/71/52/76/528715276.db2.gz QFQQVXQHBOMJHJ-AATRIKPKSA-N 1 2 237.303 1.308 20 0 BDADLO CCN(C[C@H](C)O)C(=O)Nc1cc[nH+]cc1C ZINC000478981388 528719427 /nfs/dbraw/zinc/71/94/27/528719427.db2.gz HNFHCGLEPAGCNZ-JTQLQIEISA-N 1 2 237.303 1.047 20 0 BDADLO CC(C)[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904876 528941871 /nfs/dbraw/zinc/94/18/71/528941871.db2.gz YAEXDWKZMIPXFA-ORAHPGNNSA-N 1 2 221.304 1.831 20 0 BDADLO CC1(C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903710 529014679 /nfs/dbraw/zinc/01/46/79/529014679.db2.gz URCZJZQUXXXEIE-ARJAWSKDSA-N 1 2 205.261 1.434 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494262836 529120299 /nfs/dbraw/zinc/12/02/99/529120299.db2.gz SEEVKBKFIMAMOE-JTQLQIEISA-N 1 2 248.317 1.878 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494262836 529120302 /nfs/dbraw/zinc/12/03/02/529120302.db2.gz SEEVKBKFIMAMOE-JTQLQIEISA-N 1 2 248.317 1.878 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccncc1 ZINC000495207560 529192441 /nfs/dbraw/zinc/19/24/41/529192441.db2.gz YDOWMQKBYUFBOR-ZDUSSCGKSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccncc1 ZINC000495207560 529192442 /nfs/dbraw/zinc/19/24/42/529192442.db2.gz YDOWMQKBYUFBOR-ZDUSSCGKSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493677039 529338734 /nfs/dbraw/zinc/33/87/34/529338734.db2.gz BJXSWBQMKBJGSF-SSJHQANKSA-N 1 2 207.277 1.680 20 0 BDADLO CC[C@](C)(CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493398691 529355234 /nfs/dbraw/zinc/35/52/34/529355234.db2.gz XAARWDBWXXXJDR-QMAVJUDZSA-N 1 2 237.303 1.090 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335550448 535147754 /nfs/dbraw/zinc/14/77/54/535147754.db2.gz YXXJBBOYFWCPEP-JTQLQIEISA-N 1 2 233.315 1.362 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000366795060 535217450 /nfs/dbraw/zinc/21/74/50/535217450.db2.gz CSBUUWNSKNDKLN-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000366795060 535217457 /nfs/dbraw/zinc/21/74/57/535217457.db2.gz CSBUUWNSKNDKLN-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000119082136 535314949 /nfs/dbraw/zinc/31/49/49/535314949.db2.gz UGXQPQMHEZWCHG-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO CCCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000170916923 535415954 /nfs/dbraw/zinc/41/59/54/535415954.db2.gz BLNPGCASHYPLNQ-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000170916923 535415956 /nfs/dbraw/zinc/41/59/56/535415956.db2.gz BLNPGCASHYPLNQ-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352010064 535425701 /nfs/dbraw/zinc/42/57/01/535425701.db2.gz YRZSBNGMGXVTFY-DTWKUNHWSA-N 1 2 235.274 1.915 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352010064 535425706 /nfs/dbraw/zinc/42/57/06/535425706.db2.gz YRZSBNGMGXVTFY-DTWKUNHWSA-N 1 2 235.274 1.915 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CC1(C)COC1 ZINC000180995625 535444589 /nfs/dbraw/zinc/44/45/89/535444589.db2.gz NAUDBDHYOIKILK-LLVKDONJSA-N 1 2 243.347 1.590 20 0 BDADLO CCOC(=O)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000054937334 535603828 /nfs/dbraw/zinc/60/38/28/535603828.db2.gz LGESJYKPSJMTJR-UHFFFAOYSA-N 1 2 249.314 1.565 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000227790141 535629894 /nfs/dbraw/zinc/62/98/94/535629894.db2.gz HRNIOWGJMNIJGW-LPEHRKFASA-N 1 2 229.320 1.341 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1noc(C)n1 ZINC000351482141 535750144 /nfs/dbraw/zinc/75/01/44/535750144.db2.gz ZCNNNLHOCOXBPG-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1noc(C)n1 ZINC000351482141 535750147 /nfs/dbraw/zinc/75/01/47/535750147.db2.gz ZCNNNLHOCOXBPG-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@H+](CC(=O)[O-])C1CC(Nc2cccc[nH+]2)C1 ZINC000263560059 535780117 /nfs/dbraw/zinc/78/01/17/535780117.db2.gz QUQWCTFVHSUIGZ-UHFFFAOYSA-N 1 2 249.314 1.431 20 0 BDADLO CC[N@@H+](CC(=O)[O-])C1CC(Nc2cccc[nH+]2)C1 ZINC000263560059 535780120 /nfs/dbraw/zinc/78/01/20/535780120.db2.gz QUQWCTFVHSUIGZ-UHFFFAOYSA-N 1 2 249.314 1.431 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225429327 535852959 /nfs/dbraw/zinc/85/29/59/535852959.db2.gz QHVBTPPAJJLHMP-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225429327 535852965 /nfs/dbraw/zinc/85/29/65/535852965.db2.gz QHVBTPPAJJLHMP-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H](C)O1 ZINC000352050772 535865589 /nfs/dbraw/zinc/86/55/89/535865589.db2.gz VAQWUPQBYHCFKM-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H](C)O1 ZINC000352050772 535865592 /nfs/dbraw/zinc/86/55/92/535865592.db2.gz VAQWUPQBYHCFKM-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)C[C@@H]1F ZINC000335609454 536086511 /nfs/dbraw/zinc/08/65/11/536086511.db2.gz WGVSRRKQFVATFK-CMPLNLGQSA-N 1 2 222.263 1.753 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000347724258 536121053 /nfs/dbraw/zinc/12/10/53/536121053.db2.gz ZKMJFYHKRUOFOJ-NWDGAFQWSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000347724258 536121056 /nfs/dbraw/zinc/12/10/56/536121056.db2.gz ZKMJFYHKRUOFOJ-NWDGAFQWSA-N 1 2 242.363 1.212 20 0 BDADLO CCc1cc(N2CCNC(=O)[C@H]2CC)nc(C)[nH+]1 ZINC000302118399 536145895 /nfs/dbraw/zinc/14/58/95/536145895.db2.gz XAFQKUSSRBMYBU-LLVKDONJSA-N 1 2 248.330 1.062 20 0 BDADLO CCc1ccc(C[N@H+](CC)CC(=O)OC)cn1 ZINC000347785753 536172837 /nfs/dbraw/zinc/17/28/37/536172837.db2.gz OBNRUJIUWADNAA-UHFFFAOYSA-N 1 2 236.315 1.639 20 0 BDADLO CCc1ccc(C[N@@H+](CC)CC(=O)OC)cn1 ZINC000347785753 536172839 /nfs/dbraw/zinc/17/28/39/536172839.db2.gz OBNRUJIUWADNAA-UHFFFAOYSA-N 1 2 236.315 1.639 20 0 BDADLO COC1(C)C[NH+](Cc2cccnc2C)C1 ZINC000336085455 536588199 /nfs/dbraw/zinc/58/81/99/536588199.db2.gz AMMOFNKDDKJLEN-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000164098192 536591033 /nfs/dbraw/zinc/59/10/33/536591033.db2.gz JRWAJWRQTWVWRP-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000352102451 536651323 /nfs/dbraw/zinc/65/13/23/536651323.db2.gz OCLIGJMBIKPPAW-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000352102451 536651327 /nfs/dbraw/zinc/65/13/27/536651327.db2.gz OCLIGJMBIKPPAW-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@H]([NH2+]CCCc1ccncc1)C1CC1 ZINC000348208184 536734689 /nfs/dbraw/zinc/73/46/89/536734689.db2.gz GLUDYTAMQNQJHV-CYBMUJFWSA-N 1 2 248.326 1.555 20 0 BDADLO COCCc1nc(C[N@@H+]2CCC[C@H]2C)no1 ZINC000351512592 536833968 /nfs/dbraw/zinc/83/39/68/536833968.db2.gz HCHJQTFLEYMOFV-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO COCCc1nc(C[N@H+]2CCC[C@H]2C)no1 ZINC000351512592 536833970 /nfs/dbraw/zinc/83/39/70/536833970.db2.gz HCHJQTFLEYMOFV-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO COCCc1nc(C[NH+]2[C@H](C)CC[C@H]2C)no1 ZINC000351520251 536835555 /nfs/dbraw/zinc/83/55/55/536835555.db2.gz GXYIZZTZPAQJFZ-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1ccsc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295115387 566388701 /nfs/dbraw/zinc/38/87/01/566388701.db2.gz WQVIYVXCOAFKCU-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccsc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295115387 566388708 /nfs/dbraw/zinc/38/87/08/566388708.db2.gz WQVIYVXCOAFKCU-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO CCc1cc(N(C)CCCO)nc(CC)[nH+]1 ZINC000893692180 583200537 /nfs/dbraw/zinc/20/05/37/583200537.db2.gz ZQOJNZROIJLSKJ-UHFFFAOYSA-N 1 2 223.320 1.420 20 0 BDADLO CCC[N@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000893923186 583247808 /nfs/dbraw/zinc/24/78/08/583247808.db2.gz KLNZETVAUDSKHY-UHFFFAOYSA-N 1 2 228.317 1.772 20 0 BDADLO CCC[N@@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000893923186 583247810 /nfs/dbraw/zinc/24/78/10/583247810.db2.gz KLNZETVAUDSKHY-UHFFFAOYSA-N 1 2 228.317 1.772 20 0 BDADLO COC(=O)N1CC[NH+](Cc2cc(C)co2)CC1 ZINC000893969925 583263989 /nfs/dbraw/zinc/26/39/89/583263989.db2.gz ZNNLZNAPKIUMBC-UHFFFAOYSA-N 1 2 238.287 1.472 20 0 BDADLO CN(C)c1cc(N2CCC[C@@](C)(F)C2)nc[nH+]1 ZINC000894006112 583273080 /nfs/dbraw/zinc/27/30/80/583273080.db2.gz QUECEMUUEPOUES-GFCCVEGCSA-N 1 2 238.310 1.871 20 0 BDADLO CN(C)c1cc(N2CCC[C@@](C)(F)C2)[nH+]cn1 ZINC000894006112 583273082 /nfs/dbraw/zinc/27/30/82/583273082.db2.gz QUECEMUUEPOUES-GFCCVEGCSA-N 1 2 238.310 1.871 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@](C)(O)C2)c1C ZINC000894042122 583285180 /nfs/dbraw/zinc/28/51/80/583285180.db2.gz IQWGADGBVLNQSC-GFCCVEGCSA-N 1 2 223.320 1.373 20 0 BDADLO CC[C@H](C)NC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853044361 588717479 /nfs/dbraw/zinc/71/74/79/588717479.db2.gz IDHBGCJFTRNNQM-DTWKUNHWSA-N 1 2 240.376 1.744 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(C3CC3)no2)C1 ZINC000853081139 588718852 /nfs/dbraw/zinc/71/88/52/588718852.db2.gz HZWYCDYJGGPTAF-SECBINFHSA-N 1 2 223.276 1.340 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(C3CC3)no2)C1 ZINC000853081139 588718853 /nfs/dbraw/zinc/71/88/53/588718853.db2.gz HZWYCDYJGGPTAF-SECBINFHSA-N 1 2 223.276 1.340 20 0 BDADLO C[N@@H+](CC1=CCCOC1)CN1CCSC1=O ZINC000853561833 588748920 /nfs/dbraw/zinc/74/89/20/588748920.db2.gz SEHWQMOWFDVGIZ-UHFFFAOYSA-N 1 2 242.344 1.391 20 0 BDADLO C[N@H+](CC1=CCCOC1)CN1CCSC1=O ZINC000853561833 588748921 /nfs/dbraw/zinc/74/89/21/588748921.db2.gz SEHWQMOWFDVGIZ-UHFFFAOYSA-N 1 2 242.344 1.391 20 0 BDADLO Cn1cnn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853626699 588750773 /nfs/dbraw/zinc/75/07/73/588750773.db2.gz DXWAUBJCYLFEAB-VIFPVBQESA-N 1 2 240.376 1.886 20 0 BDADLO Cn1cnn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853626699 588750774 /nfs/dbraw/zinc/75/07/74/588750774.db2.gz DXWAUBJCYLFEAB-VIFPVBQESA-N 1 2 240.376 1.886 20 0 BDADLO COC(OC)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000853681517 588755600 /nfs/dbraw/zinc/75/56/00/588755600.db2.gz RVGVYPYTGRCVNL-MRVPVSSYSA-N 1 2 237.303 1.773 20 0 BDADLO CC1(C)C[C@@H](O[NH+]=C(N)[C@@H]2CCCO2)CO1 ZINC000853697769 588757512 /nfs/dbraw/zinc/75/75/12/588757512.db2.gz JZNFZMARGPWNEC-BDAKNGLRSA-N 1 2 228.292 1.231 20 0 BDADLO CCCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742128 588760981 /nfs/dbraw/zinc/76/09/81/588760981.db2.gz AKBSFCAUVCVAFS-UHFFFAOYSA-N 1 2 230.308 1.481 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1COC2(CCC2)C1 ZINC000853828385 588765176 /nfs/dbraw/zinc/76/51/76/588765176.db2.gz KUGJKXPWCGAZSO-SNVBAGLBSA-N 1 2 249.314 1.917 20 0 BDADLO C[C@H](CC(=O)OCCOC(F)F)n1cc[nH+]c1 ZINC000853923958 588769351 /nfs/dbraw/zinc/76/93/51/588769351.db2.gz HSDUZAXVLMSLOA-MRVPVSSYSA-N 1 2 248.229 1.617 20 0 BDADLO C[C@@H](Nc1ncnc2c1CCC2)c1[nH+]ccn1C ZINC000853967703 588770383 /nfs/dbraw/zinc/77/03/83/588770383.db2.gz VKKOEHMLIRFEHM-SECBINFHSA-N 1 2 243.314 1.872 20 0 BDADLO CO[C@H](C)Cc1nc(Cc2c[nH+]ccc2C)no1 ZINC000854098872 588774564 /nfs/dbraw/zinc/77/45/64/588774564.db2.gz WSUCTUKVTVKWGE-SNVBAGLBSA-N 1 2 247.298 1.941 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cnccc2C)n1 ZINC000854131906 588775933 /nfs/dbraw/zinc/77/59/33/588775933.db2.gz CMWHVGQGYUYBQD-UHFFFAOYSA-N 1 2 232.287 1.473 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000854292238 588782750 /nfs/dbraw/zinc/78/27/50/588782750.db2.gz CHXHCFULTZKNLK-ZETCQYMHSA-N 1 2 212.318 1.642 20 0 BDADLO CO[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854340066 588784543 /nfs/dbraw/zinc/78/45/43/588784543.db2.gz LJOWAHGJDFJZQM-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000854394091 588785565 /nfs/dbraw/zinc/78/55/65/588785565.db2.gz MNMXJEBEDALARJ-GHMZBOCLSA-N 1 2 249.314 1.122 20 0 BDADLO CC1(C2CC2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854528360 588790475 /nfs/dbraw/zinc/79/04/75/588790475.db2.gz YVAHSSUMOLDLOV-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CS/C=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594464 588796460 /nfs/dbraw/zinc/79/64/60/588796460.db2.gz LWGPQIJTLCICDJ-FXHNIGACSA-N 1 2 211.290 1.464 20 0 BDADLO CSC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594464 588796461 /nfs/dbraw/zinc/79/64/61/588796461.db2.gz LWGPQIJTLCICDJ-FXHNIGACSA-N 1 2 211.290 1.464 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC1(C)C ZINC000854498506 588789638 /nfs/dbraw/zinc/78/96/38/588789638.db2.gz GSZWMVSBUMICDF-JTQLQIEISA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(F)(F)CC ZINC000854666748 588800195 /nfs/dbraw/zinc/80/01/95/588800195.db2.gz FCARQPBEPNZFKX-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(F)(F)CC ZINC000854666748 588800196 /nfs/dbraw/zinc/80/01/96/588800196.db2.gz FCARQPBEPNZFKX-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CSC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854684774 588801111 /nfs/dbraw/zinc/80/11/11/588801111.db2.gz DZTNXHOOWKZEME-QMMMGPOBSA-N 1 2 239.344 1.586 20 0 BDADLO CC1(C2(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000854854295 588813593 /nfs/dbraw/zinc/81/35/93/588813593.db2.gz RPZRDTBVASEUKH-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](C1CC1)C1CCC1 ZINC000854903274 588816229 /nfs/dbraw/zinc/81/62/29/588816229.db2.gz IIQWQBIXGXKQQP-CYBMUJFWSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[C@H]1C1CC1 ZINC000854931452 588816967 /nfs/dbraw/zinc/81/69/67/588816967.db2.gz IRBFWQICCNEQJV-NEPJUHHUSA-N 1 2 247.342 1.895 20 0 BDADLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC(C)(C)C1 ZINC000854942399 588817649 /nfs/dbraw/zinc/81/76/49/588817649.db2.gz JZUCDMQRKACOSL-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO COC[C@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000112962043 588822166 /nfs/dbraw/zinc/82/21/66/588822166.db2.gz QRVBEBFRITWAHE-JTQLQIEISA-N 1 2 243.738 1.852 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000112962043 588822167 /nfs/dbraw/zinc/82/21/67/588822167.db2.gz QRVBEBFRITWAHE-JTQLQIEISA-N 1 2 243.738 1.852 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CSC(C)(C)C ZINC000855134400 588822690 /nfs/dbraw/zinc/82/26/90/588822690.db2.gz MYHAOSKCXIRYTG-UHFFFAOYSA-N 1 2 241.360 1.900 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CSC(C)(C)C ZINC000855134400 588822691 /nfs/dbraw/zinc/82/26/91/588822691.db2.gz MYHAOSKCXIRYTG-UHFFFAOYSA-N 1 2 241.360 1.900 20 0 BDADLO CCC(F)(F)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135255 588823125 /nfs/dbraw/zinc/82/31/25/588823125.db2.gz IOBFEOPWZPUDSP-UHFFFAOYSA-N 1 2 217.219 1.413 20 0 BDADLO CCC(F)(F)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135255 588823126 /nfs/dbraw/zinc/82/31/26/588823126.db2.gz IOBFEOPWZPUDSP-UHFFFAOYSA-N 1 2 217.219 1.413 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\[C@H]1CCCO1 ZINC000855135262 588823381 /nfs/dbraw/zinc/82/33/81/588823381.db2.gz IQYUYXWDXWVMMV-DOGVGXBMSA-N 1 2 235.287 1.103 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\[C@H]1CCCO1 ZINC000855135262 588823382 /nfs/dbraw/zinc/82/33/82/588823382.db2.gz IQYUYXWDXWVMMV-DOGVGXBMSA-N 1 2 235.287 1.103 20 0 BDADLO CCCCCC(=O)OCC[NH+]1CCOCC1 ZINC000113209162 588827095 /nfs/dbraw/zinc/82/70/95/588827095.db2.gz RYNRTQQPJVWDLU-UHFFFAOYSA-N 1 2 229.320 1.442 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859155320 582485274 /nfs/dbraw/zinc/48/52/74/582485274.db2.gz ABOXCOVYAMRBLP-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859155320 582485275 /nfs/dbraw/zinc/48/52/75/582485275.db2.gz ABOXCOVYAMRBLP-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806166738 582506968 /nfs/dbraw/zinc/50/69/68/582506968.db2.gz AXASOWRZMFBGAY-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C12CC(C1)C2 ZINC000860272830 582515927 /nfs/dbraw/zinc/51/59/27/582515927.db2.gz DZBAKMRNDHBSIC-UHFFFAOYSA-N 1 2 233.267 1.934 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCc3ccc(F)cc32)n1 ZINC000806168444 582523200 /nfs/dbraw/zinc/52/32/00/582523200.db2.gz MMBDWNPVWLHNNH-ZDUSSCGKSA-N 1 2 246.289 1.731 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451195 582589556 /nfs/dbraw/zinc/58/95/56/582589556.db2.gz NECKMDLJRUVUCY-LPEHRKFASA-N 1 2 247.285 1.915 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451195 582589557 /nfs/dbraw/zinc/58/95/57/582589557.db2.gz NECKMDLJRUVUCY-LPEHRKFASA-N 1 2 247.285 1.915 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC000844464616 582593055 /nfs/dbraw/zinc/59/30/55/582593055.db2.gz XUUWYHHAPNZALW-PHIMTYICSA-N 1 2 239.269 1.526 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC000844464616 582593057 /nfs/dbraw/zinc/59/30/57/582593057.db2.gz XUUWYHHAPNZALW-PHIMTYICSA-N 1 2 239.269 1.526 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000891543042 582696124 /nfs/dbraw/zinc/69/61/24/582696124.db2.gz MKWHCJDLKMIIRG-SECBINFHSA-N 1 2 211.261 1.509 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000891543042 582696126 /nfs/dbraw/zinc/69/61/26/582696126.db2.gz MKWHCJDLKMIIRG-SECBINFHSA-N 1 2 211.261 1.509 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000891558243 582697590 /nfs/dbraw/zinc/69/75/90/582697590.db2.gz BZAIHJUFEDOTMF-QJPTWQEYSA-N 1 2 248.330 1.371 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(C)n1 ZINC000891672105 582708183 /nfs/dbraw/zinc/70/81/83/582708183.db2.gz UIARJBGCNNCGNS-WDEREUQCSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c(C)n1 ZINC000891672105 582708185 /nfs/dbraw/zinc/70/81/85/582708185.db2.gz UIARJBGCNNCGNS-WDEREUQCSA-N 1 2 237.347 1.821 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C2CC2)[C@H](C)CO1 ZINC000891672880 582708579 /nfs/dbraw/zinc/70/85/79/582708579.db2.gz ZBZRDNGYECBPJY-GHMZBOCLSA-N 1 2 235.331 1.827 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000891672239 582708631 /nfs/dbraw/zinc/70/86/31/582708631.db2.gz VHNQLUCPCFFRTR-UWVGGRQHSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000891672239 582708632 /nfs/dbraw/zinc/70/86/32/582708632.db2.gz VHNQLUCPCFFRTR-UWVGGRQHSA-N 1 2 225.288 1.897 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000891671636 582708923 /nfs/dbraw/zinc/70/89/23/582708923.db2.gz QIZZAQYTJVIRKA-MNOVXSKESA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000891671636 582708926 /nfs/dbraw/zinc/70/89/26/582708926.db2.gz QIZZAQYTJVIRKA-MNOVXSKESA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@H](O)c2ccco2)[nH+]1 ZINC000891778287 582719251 /nfs/dbraw/zinc/71/92/51/582719251.db2.gz LYGINYPGSKCIJS-KOLCDFICSA-N 1 2 248.282 1.873 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](C)Cn2cccn2)[nH+]1 ZINC000891793357 582722541 /nfs/dbraw/zinc/72/25/41/582722541.db2.gz KSNBBGXXLZTMDG-QWRGUYRKSA-N 1 2 246.314 1.832 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnccn2)cnc1F ZINC000891823329 582727572 /nfs/dbraw/zinc/72/75/72/582727572.db2.gz QEZNCPXNXMXKBD-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnccn2)cnc1F ZINC000891823329 582727574 /nfs/dbraw/zinc/72/75/74/582727574.db2.gz QEZNCPXNXMXKBD-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc[nH]1 ZINC000891876257 582733796 /nfs/dbraw/zinc/73/37/96/582733796.db2.gz HCYTXOSFGITRKP-SNVBAGLBSA-N 1 2 246.270 1.507 20 0 BDADLO O=c1cc(C[N@H+]2CCC[C@@H]2c2ncon2)cc[nH]1 ZINC000891876257 582733797 /nfs/dbraw/zinc/73/37/97/582733797.db2.gz HCYTXOSFGITRKP-SNVBAGLBSA-N 1 2 246.270 1.507 20 0 BDADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CC1(F)F ZINC000855796475 588848562 /nfs/dbraw/zinc/84/85/62/588848562.db2.gz TYGZSDZRXNOFCE-SECBINFHSA-N 1 2 229.230 1.114 20 0 BDADLO Cn1ncc(C[N@H+](C)Cc2cn[nH]c2)c1C1CC1 ZINC000892048759 582774411 /nfs/dbraw/zinc/77/44/11/582774411.db2.gz BTRGWZYXYQFOIL-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1ncc(C[N@@H+](C)Cc2cn[nH]c2)c1C1CC1 ZINC000892048759 582774412 /nfs/dbraw/zinc/77/44/12/582774412.db2.gz BTRGWZYXYQFOIL-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO C[C@H]1OCCN(Cc2[nH+]ccn2C2CC2)[C@@H]1C ZINC000892050171 582775645 /nfs/dbraw/zinc/77/56/45/582775645.db2.gz WYPWWWPGIRRNPG-GHMZBOCLSA-N 1 2 235.331 1.827 20 0 BDADLO CC(C)CN(C)c1nccn2c[nH+]cc12 ZINC000892085455 582788241 /nfs/dbraw/zinc/78/82/41/582788241.db2.gz FXWFCBAGWWRTEB-UHFFFAOYSA-N 1 2 204.277 1.822 20 0 BDADLO CC(C)C[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892132028 582797361 /nfs/dbraw/zinc/79/73/61/582797361.db2.gz VNHLBKVKRNOEEW-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)C[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892132028 582797364 /nfs/dbraw/zinc/79/73/64/582797364.db2.gz VNHLBKVKRNOEEW-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CCCCC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000889526811 582818216 /nfs/dbraw/zinc/81/82/16/582818216.db2.gz SYTCQNWRUOYGPE-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CCn1cnn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000725777199 582848689 /nfs/dbraw/zinc/84/86/89/582848689.db2.gz DIJWMWBDVCQQBM-SECBINFHSA-N 1 2 226.349 1.733 20 0 BDADLO CCn1cnn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000725777199 582848690 /nfs/dbraw/zinc/84/86/90/582848690.db2.gz DIJWMWBDVCQQBM-SECBINFHSA-N 1 2 226.349 1.733 20 0 BDADLO COCC[N@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000125965705 582857985 /nfs/dbraw/zinc/85/79/85/582857985.db2.gz IWUNUZWTMXPUHH-UHFFFAOYSA-N 1 2 237.225 1.438 20 0 BDADLO COCC[N@@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000125965705 582857987 /nfs/dbraw/zinc/85/79/87/582857987.db2.gz IWUNUZWTMXPUHH-UHFFFAOYSA-N 1 2 237.225 1.438 20 0 BDADLO CCc1cc(N2CC(=O)N(C)C[C@H]2C)nc(C)[nH+]1 ZINC000782399753 582896935 /nfs/dbraw/zinc/89/69/35/582896935.db2.gz QTUQOSAGMVPUGR-SECBINFHSA-N 1 2 248.330 1.014 20 0 BDADLO CN(C)c1cc(NC[C@@]2(C)CCOC2)[nH+]cn1 ZINC000892510908 582902812 /nfs/dbraw/zinc/90/28/12/582902812.db2.gz YDFYTEKZIBGPHD-GFCCVEGCSA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NC[C@@]2(C)CCOC2)nc[nH+]1 ZINC000892510908 582902816 /nfs/dbraw/zinc/90/28/16/582902816.db2.gz YDFYTEKZIBGPHD-GFCCVEGCSA-N 1 2 236.319 1.381 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CCC(=O)N(C)C2)[nH+]1 ZINC000892616069 582930960 /nfs/dbraw/zinc/93/09/60/582930960.db2.gz XHSWMSUUDWIJKW-NXEZZACHSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892641975 582936581 /nfs/dbraw/zinc/93/65/81/582936581.db2.gz HWERWKSFCFJHPV-NXEZZACHSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892641975 582936583 /nfs/dbraw/zinc/93/65/83/582936583.db2.gz HWERWKSFCFJHPV-NXEZZACHSA-N 1 2 220.320 1.777 20 0 BDADLO CC(C)[C@@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892694777 582957807 /nfs/dbraw/zinc/95/78/07/582957807.db2.gz WBSKVZBOOPVULX-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)[C@@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892694777 582957811 /nfs/dbraw/zinc/95/78/11/582957811.db2.gz WBSKVZBOOPVULX-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](OC)C2)[nH]1 ZINC000851800755 582967531 /nfs/dbraw/zinc/96/75/31/582967531.db2.gz QAHAUYZTHQBNHG-RKDXNWHRSA-N 1 2 224.308 1.149 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](OC)C2)[nH]1 ZINC000851800755 582967533 /nfs/dbraw/zinc/96/75/33/582967533.db2.gz QAHAUYZTHQBNHG-RKDXNWHRSA-N 1 2 224.308 1.149 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856276962 588866465 /nfs/dbraw/zinc/86/64/65/588866465.db2.gz FCJHVBSJNOFLDE-ABRRARGCSA-N 1 2 221.304 1.954 20 0 BDADLO CO[C@@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856276454 588866474 /nfs/dbraw/zinc/86/64/74/588866474.db2.gz AXDBUTGFOVTPBN-DTWKUNHWSA-N 1 2 225.292 1.022 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H]1C ZINC000892737508 582972593 /nfs/dbraw/zinc/97/25/93/582972593.db2.gz DLCUZMXSWHTSRP-NXEZZACHSA-N 1 2 216.288 1.822 20 0 BDADLO C[C@@H](NC(=O)C=C1CCC1)c1[nH+]ccn1C ZINC000856277620 588866632 /nfs/dbraw/zinc/86/66/32/588866632.db2.gz NEEVWJQAOZADKK-SECBINFHSA-N 1 2 219.288 1.708 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000851866450 582973491 /nfs/dbraw/zinc/97/34/91/582973491.db2.gz PNUBDVQCEXWIDZ-UWVGGRQHSA-N 1 2 238.335 1.396 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000851866450 582973492 /nfs/dbraw/zinc/97/34/92/582973492.db2.gz PNUBDVQCEXWIDZ-UWVGGRQHSA-N 1 2 238.335 1.396 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)c1[nH+]ccn1C ZINC000856280061 588867010 /nfs/dbraw/zinc/86/70/10/588867010.db2.gz IKWNGXBLEVRKES-CSMHCCOUSA-N 1 2 243.257 1.499 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc(NC)nc[nH+]1 ZINC000892845716 582995137 /nfs/dbraw/zinc/99/51/37/582995137.db2.gz DCEZXOLUYSOAOV-MRVPVSSYSA-N 1 2 238.291 1.129 20 0 BDADLO CCc1cc(N(C)C[C@@H](O)C2CC2)nc(CC)[nH+]1 ZINC000892852388 582997064 /nfs/dbraw/zinc/99/70/64/582997064.db2.gz YUHJFUMTKRARAV-GFCCVEGCSA-N 1 2 249.358 1.809 20 0 BDADLO CN(CC1(O)CCCC1)c1nccn2c[nH+]cc12 ZINC000892954741 583019068 /nfs/dbraw/zinc/01/90/68/583019068.db2.gz BIKSMDDRZWCJSK-UHFFFAOYSA-N 1 2 246.314 1.471 20 0 BDADLO Cc1cc(F)ncc1C[NH2+]Cc1cocn1 ZINC000892977430 583024706 /nfs/dbraw/zinc/02/47/06/583024706.db2.gz RDJGVELERPIQLK-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCc1cc(N2CCC[C@](C)(O)C2)nc(CC)[nH+]1 ZINC000893063238 583039781 /nfs/dbraw/zinc/03/97/81/583039781.db2.gz YMHAWMIDBFZSFB-AWEZNQCLSA-N 1 2 249.358 1.953 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)ccn1 ZINC000856736348 588875351 /nfs/dbraw/zinc/87/53/51/588875351.db2.gz OAPCSMKLRXDKPL-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]23CCOC3=O)ccn1 ZINC000856736348 588875352 /nfs/dbraw/zinc/87/53/52/588875352.db2.gz OAPCSMKLRXDKPL-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO CNc1cc(N[C@H](CCO)c2ccco2)nc[nH+]1 ZINC000893220208 583073525 /nfs/dbraw/zinc/07/35/25/583073525.db2.gz PRDYXYCCQZLHBF-SECBINFHSA-N 1 2 248.286 1.647 20 0 BDADLO CNc1cc(N[C@H](CCO)c2ccco2)[nH+]cn1 ZINC000893220208 583073527 /nfs/dbraw/zinc/07/35/27/583073527.db2.gz PRDYXYCCQZLHBF-SECBINFHSA-N 1 2 248.286 1.647 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893240504 583076371 /nfs/dbraw/zinc/07/63/71/583076371.db2.gz XUSCUEYHJBHZRO-LWTINBJPSA-N 1 2 236.319 1.282 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893240504 583076374 /nfs/dbraw/zinc/07/63/74/583076374.db2.gz XUSCUEYHJBHZRO-LWTINBJPSA-N 1 2 236.319 1.282 20 0 BDADLO CCc1cc(N2CCC[C@H]2CCO)nc(CC)[nH+]1 ZINC000893276222 583082502 /nfs/dbraw/zinc/08/25/02/583082502.db2.gz WOUNBBJIFHOZFR-LBPRGKRZSA-N 1 2 249.358 1.953 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOCC1CCC1 ZINC000856346836 588869147 /nfs/dbraw/zinc/86/91/47/588869147.db2.gz QHENKBHVVMSMRB-UHFFFAOYSA-N 1 2 237.303 1.511 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000856348905 588869214 /nfs/dbraw/zinc/86/92/14/588869214.db2.gz UGVVQWBZUQFSJN-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C=CCC1 ZINC000855432850 583105151 /nfs/dbraw/zinc/10/51/51/583105151.db2.gz MORPDHZUYBCSSY-VIFPVBQESA-N 1 2 205.261 1.095 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C=CCC1 ZINC000855432850 583105153 /nfs/dbraw/zinc/10/51/53/583105153.db2.gz MORPDHZUYBCSSY-VIFPVBQESA-N 1 2 205.261 1.095 20 0 BDADLO C[C@@H](NC1(C(F)F)CC1)c1[nH]cc[nH+]1 ZINC000308655141 583145304 /nfs/dbraw/zinc/14/53/04/583145304.db2.gz NRORCCRXNNMQIB-ZCFIWIBFSA-N 1 2 201.220 1.858 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@H]1C[C@@H]1C ZINC000893520418 583156146 /nfs/dbraw/zinc/15/61/46/583156146.db2.gz XDKDFRSORCKEOT-HGNGGELXSA-N 1 2 220.272 1.836 20 0 BDADLO Cc1cnn(C)c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000840635218 583192581 /nfs/dbraw/zinc/19/25/81/583192581.db2.gz LQVOQLUIIOIGSU-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO CCC1C[NH+](Cc2cn(C)nc2Cl)C1 ZINC000857047983 588883959 /nfs/dbraw/zinc/88/39/59/588883959.db2.gz SZKCZQIPLDGUGB-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cn(C)nc1Cl ZINC000857046734 588883977 /nfs/dbraw/zinc/88/39/77/588883977.db2.gz PWLXKTCBWRCVTK-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857046734 588883978 /nfs/dbraw/zinc/88/39/78/588883978.db2.gz PWLXKTCBWRCVTK-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CCn1ncc(C[NH+]2CC(CC3CC3)C2)n1 ZINC000857066444 588884998 /nfs/dbraw/zinc/88/49/98/588884998.db2.gz KRDFFAWDLOWUFF-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO CCc1cc(N(C)[C@H](C)CO)nc(CC)[nH+]1 ZINC000893740002 583216353 /nfs/dbraw/zinc/21/63/53/583216353.db2.gz MQRYLVVYJYUZSI-SECBINFHSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000893916038 583245836 /nfs/dbraw/zinc/24/58/36/583245836.db2.gz CTZXKLLCEIALRC-SECBINFHSA-N 1 2 247.298 1.489 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000893916038 583245837 /nfs/dbraw/zinc/24/58/37/583245837.db2.gz CTZXKLLCEIALRC-SECBINFHSA-N 1 2 247.298 1.489 20 0 BDADLO CCOC(=O)CN(C)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893924099 583249304 /nfs/dbraw/zinc/24/93/04/583249304.db2.gz JQZQBJGCYSFNFJ-UHFFFAOYSA-N 1 2 239.319 1.528 20 0 BDADLO Cc1[nH+]cnc(N2CC3(C2)CCOCC3)c1C ZINC000893941276 583255078 /nfs/dbraw/zinc/25/50/78/583255078.db2.gz OBPFNZNPDVDPPI-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncnn2C)nc1 ZINC000893964184 583258832 /nfs/dbraw/zinc/25/88/32/583258832.db2.gz NVPRKGBOJCVOOJ-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000893951892 583260442 /nfs/dbraw/zinc/26/04/42/583260442.db2.gz RQOLSUZPVORFOB-USZNOCQGSA-N 1 2 241.331 1.343 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)co1 ZINC000893999050 583271248 /nfs/dbraw/zinc/27/12/48/583271248.db2.gz PIPOBNUINGYJHJ-NSHDSACASA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)co1 ZINC000893999050 583271249 /nfs/dbraw/zinc/27/12/49/583271249.db2.gz PIPOBNUINGYJHJ-NSHDSACASA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)co1 ZINC000893999048 583271695 /nfs/dbraw/zinc/27/16/95/583271695.db2.gz PIPOBNUINGYJHJ-LLVKDONJSA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)co1 ZINC000893999048 583271697 /nfs/dbraw/zinc/27/16/97/583271697.db2.gz PIPOBNUINGYJHJ-LLVKDONJSA-N 1 2 222.288 1.298 20 0 BDADLO CCc1cc(NCCn2cnnc2)nc(CC)[nH+]1 ZINC000894022768 583274595 /nfs/dbraw/zinc/27/45/95/583274595.db2.gz CZLVXVVNMQXKQJ-UHFFFAOYSA-N 1 2 246.318 1.305 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ocnc2C)cn1 ZINC000894026875 583280212 /nfs/dbraw/zinc/28/02/12/583280212.db2.gz JVBBODMYKMSRDW-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ocnc2C)cn1 ZINC000894026875 583280216 /nfs/dbraw/zinc/28/02/16/583280216.db2.gz JVBBODMYKMSRDW-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@](C)(O)C2)c1C ZINC000894042122 583285179 /nfs/dbraw/zinc/28/51/79/583285179.db2.gz IQWGADGBVLNQSC-GFCCVEGCSA-N 1 2 223.320 1.373 20 0 BDADLO CSc1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000894093335 583299918 /nfs/dbraw/zinc/29/99/18/583299918.db2.gz DFVOXGUWPFBGHN-VIFPVBQESA-N 1 2 240.328 1.322 20 0 BDADLO CSc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000894093335 583299920 /nfs/dbraw/zinc/29/99/20/583299920.db2.gz DFVOXGUWPFBGHN-VIFPVBQESA-N 1 2 240.328 1.322 20 0 BDADLO C[C@H](O)c1cccc(NC[C@H](O)C2CCC2)[nH+]1 ZINC000894118005 583309931 /nfs/dbraw/zinc/30/99/31/583309931.db2.gz FXABWAPUYCARTD-CABZTGNLSA-N 1 2 236.315 1.708 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000894177989 583328206 /nfs/dbraw/zinc/32/82/06/583328206.db2.gz FIOMZAFODOKVFQ-SKMKEBHYSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1cc(NC[C@@H]2COCO2)nc(C2CCC2)[nH+]1 ZINC000894178306 583328296 /nfs/dbraw/zinc/32/82/96/583328296.db2.gz LQMLYYAICKDNPO-LLVKDONJSA-N 1 2 249.314 1.837 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccnnc1 ZINC000857280909 588902335 /nfs/dbraw/zinc/90/23/35/588902335.db2.gz PWUBFUGMWLZIHR-SECBINFHSA-N 1 2 245.286 1.184 20 0 BDADLO CNc1cc(N2CCC[C@@H](CO)[C@@H]2C)nc[nH+]1 ZINC000894222121 583382961 /nfs/dbraw/zinc/38/29/61/583382961.db2.gz PDNUTYWOVMRXNN-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CCC[C@@H](CO)[C@@H]2C)[nH+]cn1 ZINC000894222121 583382963 /nfs/dbraw/zinc/38/29/63/583382963.db2.gz PDNUTYWOVMRXNN-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](O)c1cccc(NCC2(CC(N)=O)CC2)[nH+]1 ZINC000894239141 583386579 /nfs/dbraw/zinc/38/65/79/583386579.db2.gz IKOYMBAZMDBPFZ-VIFPVBQESA-N 1 2 249.314 1.202 20 0 BDADLO CCONC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000894276877 583406291 /nfs/dbraw/zinc/40/62/91/583406291.db2.gz WZPLMFFCESGCQO-UHFFFAOYSA-N 1 2 248.286 1.393 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]cn1 ZINC000894281202 583408501 /nfs/dbraw/zinc/40/85/01/583408501.db2.gz PESNAQYAGMRZAP-ILWJIGKKSA-N 1 2 218.304 1.753 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc[nH+]1 ZINC000894281202 583408504 /nfs/dbraw/zinc/40/85/04/583408504.db2.gz PESNAQYAGMRZAP-ILWJIGKKSA-N 1 2 218.304 1.753 20 0 BDADLO O=C1CCN1C[N@H+](Cc1cccs1)C1CC1 ZINC000857229235 588896694 /nfs/dbraw/zinc/89/66/94/588896694.db2.gz NCDKMDQGHPWJLV-UHFFFAOYSA-N 1 2 236.340 1.902 20 0 BDADLO O=C1CCN1C[N@@H+](Cc1cccs1)C1CC1 ZINC000857229235 588896696 /nfs/dbraw/zinc/89/66/96/588896696.db2.gz NCDKMDQGHPWJLV-UHFFFAOYSA-N 1 2 236.340 1.902 20 0 BDADLO O=C1CCN1C[N@@H+]1CCOc2ccccc2C1 ZINC000857231242 588896907 /nfs/dbraw/zinc/89/69/07/588896907.db2.gz AZUOXIJFNOBEIR-UHFFFAOYSA-N 1 2 232.283 1.071 20 0 BDADLO O=C1CCN1C[N@H+]1CCOc2ccccc2C1 ZINC000857231242 588896909 /nfs/dbraw/zinc/89/69/09/588896909.db2.gz AZUOXIJFNOBEIR-UHFFFAOYSA-N 1 2 232.283 1.071 20 0 BDADLO CN1Cc2ccccc2[C@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000894368085 583439416 /nfs/dbraw/zinc/43/94/16/583439416.db2.gz JLPXZROZKRBXEV-CQSZACIVSA-N 1 2 242.326 1.686 20 0 BDADLO Cc1cc(=O)[nH]c(CNc2nc[nH+]c(C)c2C)n1 ZINC000894377117 583441811 /nfs/dbraw/zinc/44/18/11/583441811.db2.gz LMMCCTXQHWCQDI-UHFFFAOYSA-N 1 2 245.286 1.510 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc(CC)[nH+]1 ZINC000894390092 583446053 /nfs/dbraw/zinc/44/60/53/583446053.db2.gz ZUJPXLIEYHTMNJ-WAAGHKOSSA-N 1 2 248.330 1.277 20 0 BDADLO COCC1(CNc2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000894426310 583456601 /nfs/dbraw/zinc/45/66/01/583456601.db2.gz LLEHLRWDYDULPL-SNVBAGLBSA-N 1 2 236.315 1.973 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000894434220 583458637 /nfs/dbraw/zinc/45/86/37/583458637.db2.gz CHYDSKNEHPJWEE-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000894434220 583458639 /nfs/dbraw/zinc/45/86/39/583458639.db2.gz CHYDSKNEHPJWEE-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO Cc1ncoc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000894452762 583463024 /nfs/dbraw/zinc/46/30/24/583463024.db2.gz HBQCRRVBUWCPRB-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncoc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000894452762 583463027 /nfs/dbraw/zinc/46/30/27/583463027.db2.gz HBQCRRVBUWCPRB-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO CN(C)c1cc(N[C@H]2COC(C)(C)C2)[nH+]cn1 ZINC000894481804 583468869 /nfs/dbraw/zinc/46/88/69/583468869.db2.gz RYQVADZYQYOEAT-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(N[C@H]2COC(C)(C)C2)nc[nH+]1 ZINC000894481804 583468872 /nfs/dbraw/zinc/46/88/72/583468872.db2.gz RYQVADZYQYOEAT-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CCCC[C@H]2O)[nH+]1 ZINC000894479878 583469649 /nfs/dbraw/zinc/46/96/49/583469649.db2.gz UNRFUDQAMDUAHA-YUSALJHKSA-N 1 2 236.315 1.850 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCC[C@]23CCOC3=O)c1C ZINC000894496861 583473607 /nfs/dbraw/zinc/47/36/07/583473607.db2.gz GHHYBPYFUPMGJR-CYBMUJFWSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCC[C@]23CCOC3=O)c1C ZINC000894496861 583473608 /nfs/dbraw/zinc/47/36/08/583473608.db2.gz GHHYBPYFUPMGJR-CYBMUJFWSA-N 1 2 249.314 1.308 20 0 BDADLO COC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894538805 583479621 /nfs/dbraw/zinc/47/96/21/583479621.db2.gz MDCPGASVDCBWAV-USZNOCQGSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1nnc(C[NH+]2CC(C3CC3)C2)s1 ZINC000894566194 583484586 /nfs/dbraw/zinc/48/45/86/583484586.db2.gz OGVTVKTVPIKYEP-UHFFFAOYSA-N 1 2 209.318 1.688 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000894566753 583485075 /nfs/dbraw/zinc/48/50/75/583485075.db2.gz ODDLREMBNANPGN-MEDUHNTESA-N 1 2 241.356 1.788 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000894566753 583485077 /nfs/dbraw/zinc/48/50/77/583485077.db2.gz ODDLREMBNANPGN-MEDUHNTESA-N 1 2 241.356 1.788 20 0 BDADLO C[C@H](O)c1cccc(N2CCC[C@@H]2[C@H](C)O)[nH+]1 ZINC000894573454 583486637 /nfs/dbraw/zinc/48/66/37/583486637.db2.gz YFQCJUYHYJOSDB-JBLDHEPKSA-N 1 2 236.315 1.485 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000894576672 583487470 /nfs/dbraw/zinc/48/74/70/583487470.db2.gz DCXVVZXJHQCMCG-RKDXNWHRSA-N 1 2 234.303 1.234 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](O)C23CCC3)[nH+]cn1 ZINC000894576672 583487471 /nfs/dbraw/zinc/48/74/71/583487471.db2.gz DCXVVZXJHQCMCG-RKDXNWHRSA-N 1 2 234.303 1.234 20 0 BDADLO Cc1ncoc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894586540 583489734 /nfs/dbraw/zinc/48/97/34/583489734.db2.gz HXMAFYFNDHHHAU-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1c(Cl)cnn1C ZINC000894585113 583489839 /nfs/dbraw/zinc/48/98/39/583489839.db2.gz CZJSDIVBSFTQGJ-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)Cc2cnn(C)c2C)c1C ZINC000894594627 583492610 /nfs/dbraw/zinc/49/26/10/583492610.db2.gz AOAYJKKOHBVBJS-UHFFFAOYSA-N 1 2 247.346 1.700 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)Cc2cnn(C)c2C)c1C ZINC000894594627 583492614 /nfs/dbraw/zinc/49/26/14/583492614.db2.gz AOAYJKKOHBVBJS-UHFFFAOYSA-N 1 2 247.346 1.700 20 0 BDADLO Oc1ccc(C[N@H+](C2CC2)C2COC2)cc1F ZINC000894657902 583500885 /nfs/dbraw/zinc/50/08/85/583500885.db2.gz BKIJRMBPWIHUOZ-UHFFFAOYSA-N 1 2 237.274 1.895 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@H]1CCn2ccnc21 ZINC000894669750 583503171 /nfs/dbraw/zinc/50/31/71/583503171.db2.gz YQQHKVFFIMTSOE-NSHDSACASA-N 1 2 246.289 1.960 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CC[C@H](F)C1)CCC2 ZINC000894673029 583504294 /nfs/dbraw/zinc/50/42/94/583504294.db2.gz XUHWUIFQUOVMCN-VIFPVBQESA-N 1 2 223.295 1.453 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CC[C@H](F)C1)CCC2 ZINC000894673029 583504296 /nfs/dbraw/zinc/50/42/96/583504296.db2.gz XUHWUIFQUOVMCN-VIFPVBQESA-N 1 2 223.295 1.453 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000894712188 583510721 /nfs/dbraw/zinc/51/07/21/583510721.db2.gz PMWVOSHKUQRRJZ-SSDOTTSWSA-N 1 2 245.710 1.115 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000894775677 583518705 /nfs/dbraw/zinc/51/87/05/583518705.db2.gz PVNHXKGGKVZUNX-BBBLOLIVSA-N 1 2 222.288 1.318 20 0 BDADLO COC1C[NH+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000894818385 583524057 /nfs/dbraw/zinc/52/40/57/583524057.db2.gz CCTJEUIPWCUBEE-CBAPKCEASA-N 1 2 234.137 1.491 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccn1C1CC1 ZINC000894820674 583524741 /nfs/dbraw/zinc/52/47/41/583524741.db2.gz REQNCLHNSDMPAB-TXEJJXNPSA-N 1 2 245.326 1.914 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccn1C1CC1 ZINC000894820674 583524742 /nfs/dbraw/zinc/52/47/42/583524742.db2.gz REQNCLHNSDMPAB-TXEJJXNPSA-N 1 2 245.326 1.914 20 0 BDADLO CCOC1C[NH+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000894820286 583524794 /nfs/dbraw/zinc/52/47/94/583524794.db2.gz USBITQZWHPERTR-UHFFFAOYSA-N 1 2 248.282 1.754 20 0 BDADLO Cc1cnc(Cl)c(C[NH+]2CC(C)(CO)C2)c1 ZINC000894840580 583530098 /nfs/dbraw/zinc/53/00/98/583530098.db2.gz MUBIDZMXSBIRTQ-UHFFFAOYSA-N 1 2 240.734 1.858 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1ocnc1C ZINC000894865485 583537293 /nfs/dbraw/zinc/53/72/93/583537293.db2.gz VTOCIYAXQNXDBN-NSHDSACASA-N 1 2 223.320 1.509 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1ocnc1C ZINC000894865485 583537295 /nfs/dbraw/zinc/53/72/95/583537295.db2.gz VTOCIYAXQNXDBN-NSHDSACASA-N 1 2 223.320 1.509 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)o1 ZINC000894866079 583537984 /nfs/dbraw/zinc/53/79/84/583537984.db2.gz RLLXQYLDIOLFHK-VIFPVBQESA-N 1 2 235.287 1.873 20 0 BDADLO Cc1noc2ncc(C[NH2+]C(CF)CF)cc12 ZINC000894874791 583540919 /nfs/dbraw/zinc/54/09/19/583540919.db2.gz YEDALTLWEOIVMJ-UHFFFAOYSA-N 1 2 241.241 1.928 20 0 BDADLO Cc1ccc(C[N@@H+]2CC=C[C@@H]2CO)c(Cl)n1 ZINC000880491978 583545427 /nfs/dbraw/zinc/54/54/27/583545427.db2.gz MURDSJUTSDVMTG-LLVKDONJSA-N 1 2 238.718 1.776 20 0 BDADLO Cc1ccc(C[N@H+]2CC=C[C@@H]2CO)c(Cl)n1 ZINC000880491978 583545428 /nfs/dbraw/zinc/54/54/28/583545428.db2.gz MURDSJUTSDVMTG-LLVKDONJSA-N 1 2 238.718 1.776 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](CF)C2)c(C)n1 ZINC000894888541 583547612 /nfs/dbraw/zinc/54/76/12/583547612.db2.gz RALMUASIZPBMRH-GFCCVEGCSA-N 1 2 241.310 1.382 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](CF)C2)c(C)n1 ZINC000894888541 583547614 /nfs/dbraw/zinc/54/76/14/583547614.db2.gz RALMUASIZPBMRH-GFCCVEGCSA-N 1 2 241.310 1.382 20 0 BDADLO COC1C[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000894970554 583560579 /nfs/dbraw/zinc/56/05/79/583560579.db2.gz GLOXDBZHKUGFFT-UHFFFAOYSA-N 1 2 235.239 1.217 20 0 BDADLO CC[C@H](C)CONC(=O)NCc1cn(C)c[nH+]1 ZINC000895011206 583568108 /nfs/dbraw/zinc/56/81/08/583568108.db2.gz CPHWYELYVVRLAS-VIFPVBQESA-N 1 2 240.307 1.197 20 0 BDADLO CN1CCN(c2nccs2)Cc2ccc[nH+]c21 ZINC000895041693 583571104 /nfs/dbraw/zinc/57/11/04/583571104.db2.gz LYFUMODFNWDLGI-UHFFFAOYSA-N 1 2 246.339 1.995 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCC2=CCCCC2)c1 ZINC000895080890 583583140 /nfs/dbraw/zinc/58/31/40/583583140.db2.gz BOOBNWGZCWEESU-UHFFFAOYSA-N 1 2 248.330 1.720 20 0 BDADLO CNc1cc(N[C@H](C)c2nccnc2C)nc[nH+]1 ZINC000895087238 583584922 /nfs/dbraw/zinc/58/49/22/583584922.db2.gz HPRHAKIMFODTKY-SECBINFHSA-N 1 2 244.302 1.790 20 0 BDADLO CNc1cc(N[C@H](C)c2nccnc2C)[nH+]cn1 ZINC000895087238 583584925 /nfs/dbraw/zinc/58/49/25/583584925.db2.gz HPRHAKIMFODTKY-SECBINFHSA-N 1 2 244.302 1.790 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cccn1C ZINC000895113305 583591084 /nfs/dbraw/zinc/59/10/84/583591084.db2.gz IMEDHPZECFYAEK-HBNTYKKESA-N 1 2 235.331 1.122 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1cccn1C ZINC000895113305 583591086 /nfs/dbraw/zinc/59/10/86/583591086.db2.gz IMEDHPZECFYAEK-HBNTYKKESA-N 1 2 235.331 1.122 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)o1 ZINC000895114543 583591865 /nfs/dbraw/zinc/59/18/65/583591865.db2.gz MONPYARXOMRCJG-GARJFASQSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)o1 ZINC000895114543 583591867 /nfs/dbraw/zinc/59/18/67/583591867.db2.gz MONPYARXOMRCJG-GARJFASQSA-N 1 2 236.315 1.685 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccoc1 ZINC000895114718 583591900 /nfs/dbraw/zinc/59/19/00/583591900.db2.gz NRANHXIOOUONGG-IVZWLZJFSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccoc1 ZINC000895114718 583591902 /nfs/dbraw/zinc/59/19/02/583591902.db2.gz NRANHXIOOUONGG-IVZWLZJFSA-N 1 2 222.288 1.377 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)ccn1 ZINC000895120619 583594443 /nfs/dbraw/zinc/59/44/43/583594443.db2.gz NAQZSMLRLCKHJJ-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)ccn1 ZINC000895120619 583594444 /nfs/dbraw/zinc/59/44/44/583594444.db2.gz NAQZSMLRLCKHJJ-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)ccn1 ZINC000895120618 583594455 /nfs/dbraw/zinc/59/44/55/583594455.db2.gz NAQZSMLRLCKHJJ-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)ccn1 ZINC000895120618 583594456 /nfs/dbraw/zinc/59/44/56/583594456.db2.gz NAQZSMLRLCKHJJ-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)on1 ZINC000895120568 583594471 /nfs/dbraw/zinc/59/44/71/583594471.db2.gz LMLSBKUTAGGBAC-IVZWLZJFSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)on1 ZINC000895120568 583594472 /nfs/dbraw/zinc/59/44/72/583594472.db2.gz LMLSBKUTAGGBAC-IVZWLZJFSA-N 1 2 237.303 1.080 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC(C)(C)CC[C@H]1C ZINC000895148787 583605575 /nfs/dbraw/zinc/60/55/75/583605575.db2.gz OXCSEZOCMPPQDG-GHMZBOCLSA-N 1 2 242.363 1.859 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000895173731 583613561 /nfs/dbraw/zinc/61/35/61/583613561.db2.gz ASKFPNMEAZMNBX-JGPRNRPPSA-N 1 2 226.320 1.222 20 0 BDADLO CC/C=C(/C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000727106027 583616325 /nfs/dbraw/zinc/61/63/25/583616325.db2.gz GTZMXVOSAMNEBO-XGICHPGQSA-N 1 2 240.347 1.133 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CCC[C@H](F)C1)CCC2 ZINC000895191769 583621606 /nfs/dbraw/zinc/62/16/06/583621606.db2.gz RYTUTXYDLMQKLS-JTQLQIEISA-N 1 2 237.322 1.843 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CCC[C@H](F)C1)CCC2 ZINC000895191769 583621607 /nfs/dbraw/zinc/62/16/07/583621607.db2.gz RYTUTXYDLMQKLS-JTQLQIEISA-N 1 2 237.322 1.843 20 0 BDADLO Cc1[nH]nc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1C ZINC000895260766 583634145 /nfs/dbraw/zinc/63/41/45/583634145.db2.gz SAVPCQQGJUQKDX-RKDXNWHRSA-N 1 2 237.347 1.475 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1C ZINC000895275818 583635190 /nfs/dbraw/zinc/63/51/90/583635190.db2.gz PQTZCPKZKDCYOQ-AAEUAGOBSA-N 1 2 235.331 1.495 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1C ZINC000895275818 583635193 /nfs/dbraw/zinc/63/51/93/583635193.db2.gz PQTZCPKZKDCYOQ-AAEUAGOBSA-N 1 2 235.331 1.495 20 0 BDADLO Cn1ccc(C[N@@H+]2Cc3ccncc3C2)cc1=O ZINC000857874314 588918002 /nfs/dbraw/zinc/91/80/02/588918002.db2.gz KOTVRESFMHWORX-UHFFFAOYSA-N 1 2 241.294 1.296 20 0 BDADLO Cn1ccc(C[N@H+]2Cc3ccncc3C2)cc1=O ZINC000857874314 588918004 /nfs/dbraw/zinc/91/80/04/588918004.db2.gz KOTVRESFMHWORX-UHFFFAOYSA-N 1 2 241.294 1.296 20 0 BDADLO CC1=NO[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000895308670 583646534 /nfs/dbraw/zinc/64/65/34/583646534.db2.gz OOAQOMFBEICDLU-MRVPVSSYSA-N 1 2 211.290 1.398 20 0 BDADLO CCC/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857936398 588924289 /nfs/dbraw/zinc/92/42/89/588924289.db2.gz FQBSEQJGOKHDLB-ZWNMCFTASA-N 1 2 233.315 1.670 20 0 BDADLO Cc1nc(CN(C)Cc2c(C)cc[nH+]c2N)no1 ZINC000895352839 583657476 /nfs/dbraw/zinc/65/74/76/583657476.db2.gz CSESMQLFTUUYGL-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)CC2(C)C)no1 ZINC000895399602 583666169 /nfs/dbraw/zinc/66/61/69/583666169.db2.gz FOZMSIVSZKTLHM-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)CC2(C)C)no1 ZINC000895399602 583666170 /nfs/dbraw/zinc/66/61/70/583666170.db2.gz FOZMSIVSZKTLHM-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000895413596 583666442 /nfs/dbraw/zinc/66/64/42/583666442.db2.gz GZHZRVOYXLYSLS-NXEZZACHSA-N 1 2 249.314 1.138 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000895413596 583666444 /nfs/dbraw/zinc/66/64/44/583666444.db2.gz GZHZRVOYXLYSLS-NXEZZACHSA-N 1 2 249.314 1.138 20 0 BDADLO CCC/C=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884804 588920520 /nfs/dbraw/zinc/92/05/20/588920520.db2.gz LUTPWWTXXNWKAB-ORAHPGNNSA-N 1 2 219.288 1.280 20 0 BDADLO CC/C(C)=C(/C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885939 588921172 /nfs/dbraw/zinc/92/11/72/588921172.db2.gz BRFIHPYRRPCMCB-JUDLJHIGSA-N 1 2 233.315 1.670 20 0 BDADLO CC(C(=O)N[C@H]1Cc2c[nH+]cn2C1)=C1CCCC1 ZINC000857889131 588921501 /nfs/dbraw/zinc/92/15/01/588921501.db2.gz HMAUQXJLOLSEKA-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)o1 ZINC000895628413 583698244 /nfs/dbraw/zinc/69/82/44/583698244.db2.gz URSNQFYPXQFGGF-SNVBAGLBSA-N 1 2 243.278 1.849 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](CCF)C2)o1 ZINC000895628413 583698246 /nfs/dbraw/zinc/69/82/46/583698246.db2.gz URSNQFYPXQFGGF-SNVBAGLBSA-N 1 2 243.278 1.849 20 0 BDADLO CC[N@@H+]1CC[C@H]1CNCc1ccc(Cl)nn1 ZINC000895671357 583706362 /nfs/dbraw/zinc/70/63/62/583706362.db2.gz KFHKUKRAFHWRKZ-JTQLQIEISA-N 1 2 240.738 1.314 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3ncncc3C2)n1 ZINC000895723183 583712873 /nfs/dbraw/zinc/71/28/73/583712873.db2.gz DUJGZDHFCALADO-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3ncncc3C2)n1 ZINC000895723183 583712874 /nfs/dbraw/zinc/71/28/74/583712874.db2.gz DUJGZDHFCALADO-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](C/C=C/Cl)CC2 ZINC000857924677 588924535 /nfs/dbraw/zinc/92/45/35/588924535.db2.gz DMXAKDBYXWKEFN-HNQUOIGGSA-N 1 2 224.695 1.169 20 0 BDADLO CCC/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857936395 588924487 /nfs/dbraw/zinc/92/44/87/588924487.db2.gz FQBSEQJGOKHDLB-SGUJLRQBSA-N 1 2 233.315 1.670 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](C/C=C/Cl)CC2 ZINC000857924677 588924536 /nfs/dbraw/zinc/92/45/36/588924536.db2.gz DMXAKDBYXWKEFN-HNQUOIGGSA-N 1 2 224.695 1.169 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)CCO1 ZINC000895763854 583722751 /nfs/dbraw/zinc/72/27/51/583722751.db2.gz DEIVGMBSRCMJQO-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)CCO1 ZINC000895763854 583722752 /nfs/dbraw/zinc/72/27/52/583722752.db2.gz DEIVGMBSRCMJQO-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857949272 588924724 /nfs/dbraw/zinc/92/47/24/588924724.db2.gz YULFSQZJCMLRRR-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1C ZINC000895780897 583728916 /nfs/dbraw/zinc/72/89/16/583728916.db2.gz ZFNSIYIGYIBXLV-LOWVWBTDSA-N 1 2 235.331 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1C ZINC000895780897 583728917 /nfs/dbraw/zinc/72/89/17/583728917.db2.gz ZFNSIYIGYIBXLV-LOWVWBTDSA-N 1 2 235.331 1.229 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857948114 588924904 /nfs/dbraw/zinc/92/49/04/588924904.db2.gz XZHMMGGYVPDTOM-JNZVDCKRSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857946996 588925094 /nfs/dbraw/zinc/92/50/94/588925094.db2.gz KAWOIPRHXTWYLV-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979514 588925617 /nfs/dbraw/zinc/92/56/17/588925617.db2.gz CHQIYCTXGOLNEH-DTWKUNHWSA-N 1 2 219.288 1.490 20 0 BDADLO Cc1nonc1CNCc1[nH]cc(C(C)C)[nH+]1 ZINC000883204209 583739233 /nfs/dbraw/zinc/73/92/33/583739233.db2.gz VLBZOKKOSBBJHF-UHFFFAOYSA-N 1 2 235.291 1.514 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985715 588925695 /nfs/dbraw/zinc/92/56/95/588925695.db2.gz MBEJEXHLPIEQQZ-YUMQZZPRSA-N 1 2 225.317 1.196 20 0 BDADLO CC/C=C(/C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857961824 588925778 /nfs/dbraw/zinc/92/57/78/588925778.db2.gz GPHVUIJCDHZBRV-NEOSZVFXSA-N 1 2 233.315 1.670 20 0 BDADLO COC(=O)c1cnc(C[N@H+](C)CCCF)s1 ZINC000895896116 583743238 /nfs/dbraw/zinc/74/32/38/583743238.db2.gz NBKWFNTXKSSPGL-UHFFFAOYSA-N 1 2 246.307 1.721 20 0 BDADLO COC(=O)c1cnc(C[N@@H+](C)CCCF)s1 ZINC000895896116 583743240 /nfs/dbraw/zinc/74/32/40/583743240.db2.gz NBKWFNTXKSSPGL-UHFFFAOYSA-N 1 2 246.307 1.721 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000895906502 583744862 /nfs/dbraw/zinc/74/48/62/583744862.db2.gz ZHXNLKYEDSLSCX-GHMZBOCLSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000895906502 583744864 /nfs/dbraw/zinc/74/48/64/583744864.db2.gz ZHXNLKYEDSLSCX-GHMZBOCLSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000895906508 583744968 /nfs/dbraw/zinc/74/49/68/583744968.db2.gz ZHXNLKYEDSLSCX-WDEREUQCSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000895906508 583744969 /nfs/dbraw/zinc/74/49/69/583744969.db2.gz ZHXNLKYEDSLSCX-WDEREUQCSA-N 1 2 248.330 1.524 20 0 BDADLO CSC[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986954 588926234 /nfs/dbraw/zinc/92/62/34/588926234.db2.gz QCSSVRGEIPKYRN-RKDXNWHRSA-N 1 2 239.344 1.443 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCOCC12CCC2 ZINC000335816043 583749571 /nfs/dbraw/zinc/74/95/71/583749571.db2.gz KDJGXIJSZIOZBA-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCOCC12CCC2 ZINC000335816043 583749572 /nfs/dbraw/zinc/74/95/72/583749572.db2.gz KDJGXIJSZIOZBA-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1cc(N(C)C[C@@H](O)c2cccnc2)nc[nH+]1 ZINC000895935468 583750155 /nfs/dbraw/zinc/75/01/55/583750155.db2.gz JKKSXXZRDLNOCM-GFCCVEGCSA-N 1 2 244.298 1.350 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCCO1 ZINC000857976209 588926341 /nfs/dbraw/zinc/92/63/41/588926341.db2.gz ACFJDMPYVZRPEY-GWCFXTLKSA-N 1 2 249.314 1.403 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978688 588926820 /nfs/dbraw/zinc/92/68/20/588926820.db2.gz QCIYLGKDAHAPPY-JTQLQIEISA-N 1 2 233.315 1.880 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976919 588927025 /nfs/dbraw/zinc/92/70/25/588927025.db2.gz OOGCBZMPPYUZBH-BBBLOLIVSA-N 1 2 219.288 1.490 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978489 588927050 /nfs/dbraw/zinc/92/70/50/588927050.db2.gz GSOCDIXVAIFKKC-SECBINFHSA-N 1 2 230.271 1.394 20 0 BDADLO CC[C@H](SC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979953 588927396 /nfs/dbraw/zinc/92/73/96/588927396.db2.gz HCLWXIVJKUCKMJ-WPRPVWTQSA-N 1 2 239.344 1.586 20 0 BDADLO CC[C@](C)(OC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979122 588927458 /nfs/dbraw/zinc/92/74/58/588927458.db2.gz NDXXXXSGXDOTGQ-SKDRFNHKSA-N 1 2 237.303 1.259 20 0 BDADLO O=C(CCc1ccoc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982449 588927830 /nfs/dbraw/zinc/92/78/30/588927830.db2.gz IRUPXYZUBVJRGD-LLVKDONJSA-N 1 2 245.282 1.670 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(F)CCCC1 ZINC000857982744 588928091 /nfs/dbraw/zinc/92/80/91/588928091.db2.gz REWXZPFFDJULKS-VIFPVBQESA-N 1 2 237.278 1.726 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCO1 ZINC000857982652 588928113 /nfs/dbraw/zinc/92/81/13/588928113.db2.gz KWABOUNOHIEVHS-SKDRFNHKSA-N 1 2 235.287 1.013 20 0 BDADLO CC1=C(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857982608 588928245 /nfs/dbraw/zinc/92/82/45/588928245.db2.gz KCKAOVXNUBLGOF-NSHDSACASA-N 1 2 231.299 1.945 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCC=CO1 ZINC000857982643 588928274 /nfs/dbraw/zinc/92/82/74/588928274.db2.gz KUGWTBIOHHBSKG-MWLCHTKSSA-N 1 2 233.271 1.137 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(F)(F)F ZINC000857983440 588928393 /nfs/dbraw/zinc/92/83/93/588928393.db2.gz RUWSFHHVFXTQEQ-NKWVEPMBSA-N 1 2 247.220 1.643 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1CC=CC1 ZINC000857984718 588928442 /nfs/dbraw/zinc/92/84/42/588928442.db2.gz CXPQMHWWFJHOHS-SNVBAGLBSA-N 1 2 217.272 1.410 20 0 BDADLO CCC[C@H](O)CCNc1cc(C)[nH+]cn1 ZINC000896183983 583779657 /nfs/dbraw/zinc/77/96/57/583779657.db2.gz RRSCVIAATDSLEL-JTQLQIEISA-N 1 2 209.293 1.748 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CN[C@@H]1CCCn2ccnc21 ZINC000883356098 583782283 /nfs/dbraw/zinc/78/22/83/583782283.db2.gz FKGQPRBWJUHXDQ-VXGBXAGGSA-N 1 2 234.347 1.402 20 0 BDADLO O=C(CCC1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857985575 588929124 /nfs/dbraw/zinc/92/91/24/588929124.db2.gz IJYOGPAVKHACHY-JTQLQIEISA-N 1 2 219.288 1.634 20 0 BDADLO O=C(CC1(O)CCCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987528 588929140 /nfs/dbraw/zinc/92/91/40/588929140.db2.gz VBFMBCBHVLERKE-SNVBAGLBSA-N 1 2 249.314 1.139 20 0 BDADLO CCCCOCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986143 588929283 /nfs/dbraw/zinc/92/92/83/588929283.db2.gz MLFSWBWQAZZBLI-SNVBAGLBSA-N 1 2 237.303 1.261 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccco1 ZINC000857985800 588929303 /nfs/dbraw/zinc/92/93/03/588929303.db2.gz JZLWWXLLTDJHOU-VHSXEESVSA-N 1 2 245.282 1.841 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989859 588929769 /nfs/dbraw/zinc/92/97/69/588929769.db2.gz QHHQTZVRNYHFJW-VIFPVBQESA-N 1 2 205.261 1.410 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991456 588929788 /nfs/dbraw/zinc/92/97/88/588929788.db2.gz YHANKRRMTIILMO-HRDYMLBCSA-N 1 2 205.261 1.100 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccncc1 ZINC000857991531 588929839 /nfs/dbraw/zinc/92/98/39/588929839.db2.gz ZXERYVUVRDNNKT-SNVBAGLBSA-N 1 2 228.255 1.153 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990320 588929886 /nfs/dbraw/zinc/92/98/86/588929886.db2.gz NNTCUPIYTDOWPR-SECBINFHSA-N 1 2 221.304 1.880 20 0 BDADLO CCOCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857994955 588930198 /nfs/dbraw/zinc/93/01/98/588930198.db2.gz VVVTZPCLVMUUJH-UHFFFAOYSA-N 1 2 235.287 1.185 20 0 BDADLO COC(C)(C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996987 588930218 /nfs/dbraw/zinc/93/02/18/588930218.db2.gz HMVJAASMDXNHLY-UHFFFAOYSA-N 1 2 249.314 1.574 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC[C@H]2C=CCC2)c1 ZINC000896417779 583801018 /nfs/dbraw/zinc/80/10/18/583801018.db2.gz DDVCPACWBDRLCQ-JTQLQIEISA-N 1 2 234.303 1.186 20 0 BDADLO C=C/C=C/CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000896438748 583802449 /nfs/dbraw/zinc/80/24/49/583802449.db2.gz TUBBVUWCPZDBFC-SNAWJCMRSA-N 1 2 234.303 1.352 20 0 BDADLO c1ccc(NCCO[C@@H]2CCOC2)[nH+]c1 ZINC000896480112 583805643 /nfs/dbraw/zinc/80/56/43/583805643.db2.gz LJJQQPHQWBZZAX-SNVBAGLBSA-N 1 2 208.261 1.299 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(C)cn2)n1 ZINC000858206705 588938473 /nfs/dbraw/zinc/93/84/73/588938473.db2.gz QKNJKLQAFCGKIX-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ccc(F)nn1)C2 ZINC000896654268 583821129 /nfs/dbraw/zinc/82/11/29/583821129.db2.gz MMDHRLYGLJTOHX-UHFFFAOYSA-N 1 2 247.277 1.395 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nccnc1C)C2 ZINC000896654103 583821505 /nfs/dbraw/zinc/82/15/05/583821505.db2.gz JSWUJINUNXHUOW-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO CC(C)c1nc(N[C@H]2C[C@H](CO)C2)cc[nH+]1 ZINC000896691776 583824214 /nfs/dbraw/zinc/82/42/14/583824214.db2.gz ZAIMBXKJIJOYPY-MGCOHNPYSA-N 1 2 221.304 1.783 20 0 BDADLO CC(C)Cc1cc(N[C@H]2C[C@H](CO)C2)nc[nH+]1 ZINC000896694548 583824279 /nfs/dbraw/zinc/82/42/79/583824279.db2.gz ATCFUOBPNFBZMY-UMSPYCQHSA-N 1 2 235.331 1.858 20 0 BDADLO Cc1cc(NCC2(C3(O)CCC3)CC2)nc[nH+]1 ZINC000896808546 583835137 /nfs/dbraw/zinc/83/51/37/583835137.db2.gz WRBHDNQZMUUEAL-UHFFFAOYSA-N 1 2 233.315 1.892 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000795983118 583840718 /nfs/dbraw/zinc/84/07/18/583840718.db2.gz ABAXQGBAZOZWQE-MNOVXSKESA-N 1 2 240.303 1.487 20 0 BDADLO CSC(C)(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907387 583851649 /nfs/dbraw/zinc/85/16/49/583851649.db2.gz LSHLKNFDIMLSCV-UHFFFAOYSA-N 1 2 241.360 1.784 20 0 BDADLO Cc1[nH]c(CNC(=O)CCC2CC2)[nH+]c1C ZINC000896919416 583856300 /nfs/dbraw/zinc/85/63/00/583856300.db2.gz QLMPFKYKPNPFLQ-UHFFFAOYSA-N 1 2 221.304 1.833 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccnc(F)c2)[nH+]c1C ZINC000896922022 583856995 /nfs/dbraw/zinc/85/69/95/583856995.db2.gz VLFGBSGBXXFLFH-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000896925866 583858303 /nfs/dbraw/zinc/85/83/03/583858303.db2.gz CFRBUPTZCORADX-NXEZZACHSA-N 1 2 214.309 1.078 20 0 BDADLO CCCOCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896923391 583858811 /nfs/dbraw/zinc/85/88/11/583858811.db2.gz KLIPKHBHEKUJSR-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000896926353 583859130 /nfs/dbraw/zinc/85/91/30/583859130.db2.gz IHQRPDUGTHRJPL-WDEREUQCSA-N 1 2 230.352 1.714 20 0 BDADLO CC[C@H](C[C@@H](C)CC)[NH2+]CC(=O)NOC ZINC000896926364 583859365 /nfs/dbraw/zinc/85/93/65/583859365.db2.gz ITYQNPUSZLDCPT-VHSXEESVSA-N 1 2 216.325 1.468 20 0 BDADLO CSCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896928040 583859499 /nfs/dbraw/zinc/85/94/99/583859499.db2.gz QRQMLJLMHGWXKN-UHFFFAOYSA-N 1 2 213.306 1.006 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@@H]2C)[nH+]c1C ZINC000896929169 583859799 /nfs/dbraw/zinc/85/97/99/583859799.db2.gz FGSITNQZVFKBDS-IMTBSYHQSA-N 1 2 207.277 1.299 20 0 BDADLO Cc1[nH]c(CNC(=O)Cc2ccsc2)[nH+]c1C ZINC000896930212 583860545 /nfs/dbraw/zinc/86/05/45/583860545.db2.gz WUWYCRGZYMOQPL-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO Cc1[nH]c(CNC(=O)C2CCCC2)[nH+]c1C ZINC000896929811 583860765 /nfs/dbraw/zinc/86/07/65/583860765.db2.gz NLRNBUJREQHYMT-UHFFFAOYSA-N 1 2 221.304 1.833 20 0 BDADLO CCc1cc(NCc2cnn(CCF)c2)nc[nH+]1 ZINC000896991799 583866917 /nfs/dbraw/zinc/86/69/17/583866917.db2.gz JCSUYXQZXZCONC-UHFFFAOYSA-N 1 2 249.293 1.817 20 0 BDADLO Cc1cc(N2CCC[C@H]2C2OCCO2)nc[nH+]1 ZINC000897003833 583869120 /nfs/dbraw/zinc/86/91/20/583869120.db2.gz HQJGHIKWTPYRRJ-JTQLQIEISA-N 1 2 235.287 1.127 20 0 BDADLO CCc1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc[nH+]1 ZINC000897072718 583875751 /nfs/dbraw/zinc/87/57/51/583875751.db2.gz YOUJVOGPENBVPV-OQEOFVATSA-N 1 2 231.299 1.627 20 0 BDADLO COC1(C(F)(F)F)CN(c2cccc[nH+]2)C1 ZINC000897106333 583881088 /nfs/dbraw/zinc/88/10/88/583881088.db2.gz DBZOVCJFSRWLQX-UHFFFAOYSA-N 1 2 232.205 1.849 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1cc[nH+]c(C)n1 ZINC000897147299 583886000 /nfs/dbraw/zinc/88/60/00/583886000.db2.gz JUSZLAWPGNRNFP-VHSXEESVSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1nnc(CNc2nc[nH+]c(C)c2C)[nH]1 ZINC000897208526 583894953 /nfs/dbraw/zinc/89/49/53/583894953.db2.gz AKTCIAAUQFTSFO-UHFFFAOYSA-N 1 2 218.264 1.132 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000897295226 583911841 /nfs/dbraw/zinc/91/18/41/583911841.db2.gz NKFOQHQRVHUSHF-AXFHLTTASA-N 1 2 249.314 1.498 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCNC(=O)C2(C)C)o1 ZINC000788021376 583934957 /nfs/dbraw/zinc/93/49/57/583934957.db2.gz VLJWFOOSPKRFEP-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCNC(=O)C2(C)C)o1 ZINC000788021376 583934958 /nfs/dbraw/zinc/93/49/58/583934958.db2.gz VLJWFOOSPKRFEP-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccns2)n1 ZINC000858212795 588939007 /nfs/dbraw/zinc/93/90/07/588939007.db2.gz UPOHVVCKMHKODE-UHFFFAOYSA-N 1 2 223.305 1.044 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2COC[C@H]2C2CC2)[nH+]c1 ZINC000897450672 583985277 /nfs/dbraw/zinc/98/52/77/583985277.db2.gz KCFAFJOSJNGKIE-XDTLVQLUSA-N 1 2 248.326 1.972 20 0 BDADLO CCC/C=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000729357329 583994764 /nfs/dbraw/zinc/99/47/64/583994764.db2.gz IDNDSNVAFDUBCN-FYJFLYSWSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000729357329 583994766 /nfs/dbraw/zinc/99/47/66/583994766.db2.gz IDNDSNVAFDUBCN-FYJFLYSWSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@@H](CNc1nccnc1F)Cn1cc[nH+]c1 ZINC000858354087 588948235 /nfs/dbraw/zinc/94/82/35/588948235.db2.gz PXAWHSLRCHZDRT-VIFPVBQESA-N 1 2 235.266 1.560 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)nn1C ZINC000897678374 584036130 /nfs/dbraw/zinc/03/61/30/584036130.db2.gz ATCGGCLYGAYPRD-GMSGAONNSA-N 1 2 243.738 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)nn1C ZINC000897678374 584036131 /nfs/dbraw/zinc/03/61/31/584036131.db2.gz ATCGGCLYGAYPRD-GMSGAONNSA-N 1 2 243.738 1.195 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000897679018 584037003 /nfs/dbraw/zinc/03/70/03/584037003.db2.gz HJMGHVLCSWJVMM-RQJHMYQMSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000897679018 584037004 /nfs/dbraw/zinc/03/70/04/584037004.db2.gz HJMGHVLCSWJVMM-RQJHMYQMSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2F)C[C@@H]1O ZINC000897680791 584038432 /nfs/dbraw/zinc/03/84/32/584038432.db2.gz WDHQLEFTTZZDKE-APPZFPTMSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2F)C[C@@H]1O ZINC000897680791 584038435 /nfs/dbraw/zinc/03/84/35/584038435.db2.gz WDHQLEFTTZZDKE-APPZFPTMSA-N 1 2 244.697 1.687 20 0 BDADLO O=C1NCCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC000897752701 584044014 /nfs/dbraw/zinc/04/40/14/584044014.db2.gz OYDVMMLCUWRPDG-UHFFFAOYSA-N 1 2 232.283 1.371 20 0 BDADLO CCc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)no1 ZINC000897796435 584049286 /nfs/dbraw/zinc/04/92/86/584049286.db2.gz UODUOMSDAUWXEV-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO CCc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)no1 ZINC000897796435 584049287 /nfs/dbraw/zinc/04/92/87/584049287.db2.gz UODUOMSDAUWXEV-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO CCC[C@@H]([NH2+]C1CC(SC)C1)C(=O)OC ZINC000897833336 584051949 /nfs/dbraw/zinc/05/19/49/584051949.db2.gz FZFNCDRDCPJRGT-UDNWOFFPSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC ZINC000897834723 584052523 /nfs/dbraw/zinc/05/25/23/584052523.db2.gz XYWCXBAIIXUEEV-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C(=O)OC ZINC000897834521 584052769 /nfs/dbraw/zinc/05/27/69/584052769.db2.gz SCBWCDGQZIWONE-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000897833915 584052923 /nfs/dbraw/zinc/05/29/23/584052923.db2.gz DAFVWLQGRQAFCP-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO Cc1noc(C2([NH2+]Cc3ccncc3C)CC2)n1 ZINC000897895803 584058513 /nfs/dbraw/zinc/05/85/13/584058513.db2.gz HYQQXHRPKOAKOJ-UHFFFAOYSA-N 1 2 244.298 1.860 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC23CC3)c[nH+]1 ZINC000898009562 584070851 /nfs/dbraw/zinc/07/08/51/584070851.db2.gz TUEYJNQJNQWYHW-JTQLQIEISA-N 1 2 233.315 1.595 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1cscn1 ZINC000898028223 584076306 /nfs/dbraw/zinc/07/63/06/584076306.db2.gz KOYWVOZIIZNQDH-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccccn1 ZINC000898029641 584077348 /nfs/dbraw/zinc/07/73/48/584077348.db2.gz YQDHGOJTYYQZEY-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO Cn1c[nH+]c(CNCc2c(Cl)cnn2C)c1 ZINC000898043498 584081475 /nfs/dbraw/zinc/08/14/75/584081475.db2.gz RFXGGETUBOLUTD-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cn1cnc(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000898043498 584081478 /nfs/dbraw/zinc/08/14/78/584081478.db2.gz RFXGGETUBOLUTD-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898182375 584093470 /nfs/dbraw/zinc/09/34/70/584093470.db2.gz CHGMLKXLKQKMFI-WDEREUQCSA-N 1 2 243.278 1.583 20 0 BDADLO CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898182375 584093471 /nfs/dbraw/zinc/09/34/71/584093471.db2.gz CHGMLKXLKQKMFI-WDEREUQCSA-N 1 2 243.278 1.583 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898188023 584093763 /nfs/dbraw/zinc/09/37/63/584093763.db2.gz NMUHYDRJKPJKOP-NWDGAFQWSA-N 1 2 243.278 1.331 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898188023 584093765 /nfs/dbraw/zinc/09/37/65/584093765.db2.gz NMUHYDRJKPJKOP-NWDGAFQWSA-N 1 2 243.278 1.331 20 0 BDADLO CSc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898188138 584093884 /nfs/dbraw/zinc/09/38/84/584093884.db2.gz KNIMPZBYJQWLPB-NXEZZACHSA-N 1 2 245.319 1.906 20 0 BDADLO CSc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898188138 584093885 /nfs/dbraw/zinc/09/38/85/584093885.db2.gz KNIMPZBYJQWLPB-NXEZZACHSA-N 1 2 245.319 1.906 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)s1 ZINC000898191747 584095654 /nfs/dbraw/zinc/09/56/54/584095654.db2.gz FAABPQURVPNZAD-UWVGGRQHSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)s1 ZINC000898191747 584095656 /nfs/dbraw/zinc/09/56/56/584095656.db2.gz FAABPQURVPNZAD-UWVGGRQHSA-N 1 2 244.335 1.610 20 0 BDADLO FC(F)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000801562779 584127746 /nfs/dbraw/zinc/12/77/46/584127746.db2.gz FHRSYICVUWPWAQ-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000801562779 584127747 /nfs/dbraw/zinc/12/77/47/584127747.db2.gz FHRSYICVUWPWAQ-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO O[C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000898392802 584130659 /nfs/dbraw/zinc/13/06/59/584130659.db2.gz LGNVATFOWBKROA-STQMWFEESA-N 1 2 229.283 1.158 20 0 BDADLO CCCn1cc(C[NH2+]C/C=C\Cl)nn1 ZINC000898424222 584132334 /nfs/dbraw/zinc/13/23/34/584132334.db2.gz CJYQVSFMSXKPFT-ARJAWSKDSA-N 1 2 214.700 1.530 20 0 BDADLO COC(=O)c1occc1C[NH2+]C/C=C\Cl ZINC000898434923 584136039 /nfs/dbraw/zinc/13/60/39/584136039.db2.gz YZEARSBXMOLSPU-RQOWECAXSA-N 1 2 229.663 1.908 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1CCC1 ZINC000898484215 584139180 /nfs/dbraw/zinc/13/91/80/584139180.db2.gz SHEAPSTWIXEPDK-NSHDSACASA-N 1 2 228.311 1.337 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)C1CCC1 ZINC000898484215 584139182 /nfs/dbraw/zinc/13/91/82/584139182.db2.gz SHEAPSTWIXEPDK-NSHDSACASA-N 1 2 228.311 1.337 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898485940 584139831 /nfs/dbraw/zinc/13/98/31/584139831.db2.gz OTBAYCVPVRNVKX-RYUDHWBXSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898485940 584139836 /nfs/dbraw/zinc/13/98/36/584139836.db2.gz OTBAYCVPVRNVKX-RYUDHWBXSA-N 1 2 244.354 1.973 20 0 BDADLO CC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CCC1 ZINC000898496824 584140252 /nfs/dbraw/zinc/14/02/52/584140252.db2.gz ZUWVJBHJURXVOW-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO CC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CCC1 ZINC000898496824 584140254 /nfs/dbraw/zinc/14/02/54/584140254.db2.gz ZUWVJBHJURXVOW-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO O=C(NCC1CC=CC1)N[C@H]1CCn2cc[nH+]c21 ZINC000858500023 588960528 /nfs/dbraw/zinc/96/05/28/588960528.db2.gz SVENBQBMRASMKS-NSHDSACASA-N 1 2 246.314 1.593 20 0 BDADLO CCCN(C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000898628171 584146833 /nfs/dbraw/zinc/14/68/33/584146833.db2.gz PGJQKSHCGLAOLI-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@]23C[C@@H]2CCCC3)c1 ZINC000898615629 584146978 /nfs/dbraw/zinc/14/69/78/584146978.db2.gz NWBHZHZATRNOQM-GWCFXTLKSA-N 1 2 248.330 1.552 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@H]3C[C@H]32)c1 ZINC000898616005 584147010 /nfs/dbraw/zinc/14/70/10/584147010.db2.gz TUZNQWHFOUHMPN-GXSJLCMTSA-N 1 2 234.303 1.114 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCCCCO2)c1 ZINC000898621230 584147541 /nfs/dbraw/zinc/14/75/41/584147541.db2.gz JPXZSQHWMWIHIB-UHFFFAOYSA-N 1 2 238.291 1.047 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(C2CC2)CC1 ZINC000898810295 584160324 /nfs/dbraw/zinc/16/03/24/584160324.db2.gz KDHDYPHWGFEGIE-JTQLQIEISA-N 1 2 231.299 1.634 20 0 BDADLO CC(C)(CNC(=O)CCC1CC1)n1cc[nH+]c1 ZINC000898902953 584164887 /nfs/dbraw/zinc/16/48/87/584164887.db2.gz XIEDPBOOHVQOTQ-UHFFFAOYSA-N 1 2 235.331 1.925 20 0 BDADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1=CCCCC1 ZINC000898895594 584165479 /nfs/dbraw/zinc/16/54/79/584165479.db2.gz QJDXWVNOFKSMEC-NSHDSACASA-N 1 2 249.314 1.070 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899143177 584176975 /nfs/dbraw/zinc/17/69/75/584176975.db2.gz VQZQJVIMEWAYHK-AAOUONPWSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000899143177 584176977 /nfs/dbraw/zinc/17/69/77/584176977.db2.gz VQZQJVIMEWAYHK-AAOUONPWSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000899143177 584176978 /nfs/dbraw/zinc/17/69/78/584176978.db2.gz VQZQJVIMEWAYHK-AAOUONPWSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000899143177 584176980 /nfs/dbraw/zinc/17/69/80/584176980.db2.gz VQZQJVIMEWAYHK-AAOUONPWSA-N 1 2 248.330 1.482 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000899415233 584214157 /nfs/dbraw/zinc/21/41/57/584214157.db2.gz SZIWUCFPQNABIY-FVCCEPFGSA-N 1 2 247.342 1.682 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC3(CCC3)CO2)c[nH+]1 ZINC000899427572 584215527 /nfs/dbraw/zinc/21/55/27/584215527.db2.gz NOOZAONAOWXYQP-JTQLQIEISA-N 1 2 249.314 1.407 20 0 BDADLO CC[C@H](C)CS(=O)(=O)CCc1c[nH+]cn1C ZINC000899480247 584217772 /nfs/dbraw/zinc/21/77/72/584217772.db2.gz CUXWYTCKHUAXPV-JTQLQIEISA-N 1 2 244.360 1.424 20 0 BDADLO Cn1c[nH+]cc1CCS(=O)(=O)C(C)(C)C ZINC000899502060 584218929 /nfs/dbraw/zinc/21/89/29/584218929.db2.gz XBFMKJPLQVFYAS-UHFFFAOYSA-N 1 2 230.333 1.176 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000899916974 584255049 /nfs/dbraw/zinc/25/50/49/584255049.db2.gz DBESCIPERRAQCM-RYUDHWBXSA-N 1 2 247.342 1.998 20 0 BDADLO CC1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000899933136 584257389 /nfs/dbraw/zinc/25/73/89/584257389.db2.gz JHENZOUHMXELIW-UHFFFAOYSA-N 1 2 233.315 1.752 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCc2occc21 ZINC000900112980 584274358 /nfs/dbraw/zinc/27/43/58/584274358.db2.gz IDMCTLCUFXFAOF-LLVKDONJSA-N 1 2 245.282 1.739 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCCc2occc21 ZINC000900112980 584274361 /nfs/dbraw/zinc/27/43/61/584274361.db2.gz IDMCTLCUFXFAOF-LLVKDONJSA-N 1 2 245.282 1.739 20 0 BDADLO CC(C)CN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900120443 584275249 /nfs/dbraw/zinc/27/52/49/584275249.db2.gz XUIPJRAVXPOBLV-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO CCN(C(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900105367 584275832 /nfs/dbraw/zinc/27/58/32/584275832.db2.gz POXWKTHAJWRIMX-UHFFFAOYSA-N 1 2 219.288 1.504 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900166806 584281805 /nfs/dbraw/zinc/28/18/05/584281805.db2.gz LOHPPWHRDPINQX-VIFPVBQESA-N 1 2 233.271 1.293 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900166806 584281807 /nfs/dbraw/zinc/28/18/07/584281807.db2.gz LOHPPWHRDPINQX-VIFPVBQESA-N 1 2 233.271 1.293 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000900214212 584286326 /nfs/dbraw/zinc/28/63/26/584286326.db2.gz BPXRMAIIESEBPU-RDOCRHDPSA-N 1 2 227.695 1.530 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1Cc2ccccc21 ZINC000900267487 584290218 /nfs/dbraw/zinc/29/02/18/584290218.db2.gz HAZZMMVLDLXKPW-LLVKDONJSA-N 1 2 241.294 1.408 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1Cc2ccccc21 ZINC000900267487 584290219 /nfs/dbraw/zinc/29/02/19/584290219.db2.gz HAZZMMVLDLXKPW-LLVKDONJSA-N 1 2 241.294 1.408 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCOC1CCCC1 ZINC000900284015 584291307 /nfs/dbraw/zinc/29/13/07/584291307.db2.gz ZLAWDNRMIBKMQW-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCOC1CCCC1 ZINC000900284015 584291308 /nfs/dbraw/zinc/29/13/08/584291308.db2.gz ZLAWDNRMIBKMQW-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900292441 584291728 /nfs/dbraw/zinc/29/17/28/584291728.db2.gz XLYZMSWDCWXKSA-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H](Nc1nccnc1F)c1[nH+]ccn1C ZINC000858635205 588972244 /nfs/dbraw/zinc/97/22/44/588972244.db2.gz XWMWIXAQWFAKHU-ZETCQYMHSA-N 1 2 221.239 1.522 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900367002 584296920 /nfs/dbraw/zinc/29/69/20/584296920.db2.gz HBCKQOGFQAGMDE-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900367002 584296921 /nfs/dbraw/zinc/29/69/21/584296921.db2.gz HBCKQOGFQAGMDE-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO CC(C)(C)[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900576251 584327451 /nfs/dbraw/zinc/32/74/51/584327451.db2.gz AFLYCWAMCBCJTJ-LLVKDONJSA-N 1 2 235.331 1.989 20 0 BDADLO Nc1ccc(Cn2cc(C3CCC3)nn2)c[nH+]1 ZINC000900582425 584328134 /nfs/dbraw/zinc/32/81/34/584328134.db2.gz VIGYDOFVBBTLOE-UHFFFAOYSA-N 1 2 229.287 1.571 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000900560111 584329102 /nfs/dbraw/zinc/32/91/02/584329102.db2.gz BQQUPWHXQMBFTC-UHFFFAOYSA-N 1 2 237.303 1.042 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1nnc(C2CC2)o1 ZINC000900619016 584332885 /nfs/dbraw/zinc/33/28/85/584332885.db2.gz NFAMHPWVRMJPPJ-UHFFFAOYSA-N 1 2 244.254 1.325 20 0 BDADLO C/C(Cl)=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000900695079 584338838 /nfs/dbraw/zinc/33/88/38/584338838.db2.gz KUXLWZRYNOIIBC-CSKARUKUSA-N 1 2 241.722 1.922 20 0 BDADLO C[C@H]1SCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000900758668 584345895 /nfs/dbraw/zinc/34/58/95/584345895.db2.gz WJICKNDAPXUIPD-RKDXNWHRSA-N 1 2 239.344 1.305 20 0 BDADLO C[C@H]1SCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000900758666 584346257 /nfs/dbraw/zinc/34/62/57/584346257.db2.gz WJICKNDAPXUIPD-DTWKUNHWSA-N 1 2 239.344 1.305 20 0 BDADLO CC[C@@H]1COCCN1C(=O)CNc1cccc[nH+]1 ZINC000900730705 584346929 /nfs/dbraw/zinc/34/69/29/584346929.db2.gz AJGXBGHTHBCZPK-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CC[C@H](COC)NC(=O)CNc1cccc[nH+]1 ZINC000900782448 584351207 /nfs/dbraw/zinc/35/12/07/584351207.db2.gz IEKMIQIINDBNPI-SNVBAGLBSA-N 1 2 237.303 1.035 20 0 BDADLO Cc1coc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000900786757 584351429 /nfs/dbraw/zinc/35/14/29/584351429.db2.gz MXYBQQAEDDTBJS-LLVKDONJSA-N 1 2 247.298 1.851 20 0 BDADLO C[C@@H](CNC(=O)C1(C2CC2)CC1)Cn1cc[nH+]c1 ZINC000900787961 584351711 /nfs/dbraw/zinc/35/17/11/584351711.db2.gz RRCMAPLZQBXRFQ-NSHDSACASA-N 1 2 247.342 1.826 20 0 BDADLO CC[C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900865830 584362485 /nfs/dbraw/zinc/36/24/85/584362485.db2.gz XZSISPILNOPDJW-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900865830 584362486 /nfs/dbraw/zinc/36/24/86/584362486.db2.gz XZSISPILNOPDJW-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO CCc1cnc(NC(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900869261 584363140 /nfs/dbraw/zinc/36/31/40/584363140.db2.gz ZKNZUIHPGLJAAE-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO CCc1cnc(NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000900869261 584363141 /nfs/dbraw/zinc/36/31/41/584363141.db2.gz ZKNZUIHPGLJAAE-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO CO[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000900909799 584365191 /nfs/dbraw/zinc/36/51/91/584365191.db2.gz CNKGPKWJAMALTR-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000900909799 584365194 /nfs/dbraw/zinc/36/51/94/584365194.db2.gz CNKGPKWJAMALTR-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO CCC1(NC(=O)CNc2cccc[nH+]2)CCC1 ZINC000900940387 584367997 /nfs/dbraw/zinc/36/79/97/584367997.db2.gz POOJJTRJUSFFGX-UHFFFAOYSA-N 1 2 233.315 1.942 20 0 BDADLO C[C@@H](N(C)C(=O)Cc1c[nH+]c[nH]1)C1(C)CC1 ZINC000900989383 584374125 /nfs/dbraw/zinc/37/41/25/584374125.db2.gz QMMZMKMWXQTVIS-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CCC=CO2)[nH+]c1C ZINC000900996200 584374840 /nfs/dbraw/zinc/37/48/40/584374840.db2.gz DZODBIGFEHCORS-JTQLQIEISA-N 1 2 235.287 1.335 20 0 BDADLO CCC/C=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996495 584375229 /nfs/dbraw/zinc/37/52/29/584375229.db2.gz DJJACJXXTIZBLS-VOTSOKGWSA-N 1 2 221.304 1.999 20 0 BDADLO CCCC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996495 584375231 /nfs/dbraw/zinc/37/52/31/584375231.db2.gz DJJACJXXTIZBLS-VOTSOKGWSA-N 1 2 221.304 1.999 20 0 BDADLO C[C@@H]1CCN(C(=O)CCF)C[C@H]1n1cc[nH+]c1 ZINC000901040413 584376717 /nfs/dbraw/zinc/37/67/17/584376717.db2.gz JZQRUEXBQJEKFX-GHMZBOCLSA-N 1 2 239.294 1.652 20 0 BDADLO O=C1OC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@H]12 ZINC000858849956 588979073 /nfs/dbraw/zinc/97/90/73/588979073.db2.gz ZRCGEAZFFMATPX-IUCAKERBSA-N 1 2 243.266 1.172 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000901205475 584399429 /nfs/dbraw/zinc/39/94/29/584399429.db2.gz POKLMNKHPOFBSL-GHMZBOCLSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000901205475 584399432 /nfs/dbraw/zinc/39/94/32/584399432.db2.gz POKLMNKHPOFBSL-GHMZBOCLSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1cnccc1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901203932 584399668 /nfs/dbraw/zinc/39/96/68/584399668.db2.gz NWLPVEDCPXQLNU-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901330818 584424391 /nfs/dbraw/zinc/42/43/91/584424391.db2.gz NKSWKKLBFNQGGK-SNVBAGLBSA-N 1 2 207.277 1.209 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CCCOCC1 ZINC000901337255 584427088 /nfs/dbraw/zinc/42/70/88/584427088.db2.gz TYYQWLYKDMWRAI-NSHDSACASA-N 1 2 249.314 1.179 20 0 BDADLO C[C@@]1(NC(=O)CNc2cccc[nH+]2)CCCOC1 ZINC000901316055 584428810 /nfs/dbraw/zinc/42/88/10/584428810.db2.gz QMMGRLMXFGZGRR-CYBMUJFWSA-N 1 2 249.314 1.179 20 0 BDADLO CCCOC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000858895963 588983071 /nfs/dbraw/zinc/98/30/71/588983071.db2.gz MMDVBBQQNYIFBD-UHFFFAOYSA-N 1 2 237.303 1.784 20 0 BDADLO CCc1cnccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901359823 584432700 /nfs/dbraw/zinc/43/27/00/584432700.db2.gz GPTFNZIUKPNKCF-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO c1c([C@@H]2CCCO2)noc1[C@H]1COCC[NH2+]1 ZINC000901392886 584437379 /nfs/dbraw/zinc/43/73/79/584437379.db2.gz MUAJIFCWGATDDX-ZJUUUORDSA-N 1 2 224.260 1.187 20 0 BDADLO c1c([C@H]2CCCO2)noc1[C@H]1COCC[NH2+]1 ZINC000901392879 584437606 /nfs/dbraw/zinc/43/76/06/584437606.db2.gz MUAJIFCWGATDDX-NXEZZACHSA-N 1 2 224.260 1.187 20 0 BDADLO C[C@H]1Cc2cc([NH2+]CC3(CO)COC3)ccc2O1 ZINC000901448186 584447438 /nfs/dbraw/zinc/44/74/38/584447438.db2.gz OCGHZEJWNIPWKA-JTQLQIEISA-N 1 2 249.310 1.431 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000901599568 584468515 /nfs/dbraw/zinc/46/85/15/584468515.db2.gz WRSXENDAKKLHFL-JTQLQIEISA-N 1 2 247.298 1.487 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000901599568 584468517 /nfs/dbraw/zinc/46/85/17/584468517.db2.gz WRSXENDAKKLHFL-JTQLQIEISA-N 1 2 247.298 1.487 20 0 BDADLO Cc1cccc(C[N@H+](C)CN2CCOC2=O)c1 ZINC000902065667 584522316 /nfs/dbraw/zinc/52/23/16/584522316.db2.gz QXDPMMHOYIWHJW-UHFFFAOYSA-N 1 2 234.299 1.837 20 0 BDADLO Cc1cccc(C[N@@H+](C)CN2CCOC2=O)c1 ZINC000902065667 584522319 /nfs/dbraw/zinc/52/23/19/584522319.db2.gz QXDPMMHOYIWHJW-UHFFFAOYSA-N 1 2 234.299 1.837 20 0 BDADLO CCC[N@H+](C)Cn1ncc2sccc2c1=O ZINC000902090770 584524594 /nfs/dbraw/zinc/52/45/94/584524594.db2.gz YGIWXUHVAXNFGV-UHFFFAOYSA-N 1 2 237.328 1.757 20 0 BDADLO CCC[N@@H+](C)Cn1ncc2sccc2c1=O ZINC000902090770 584524595 /nfs/dbraw/zinc/52/45/95/584524595.db2.gz YGIWXUHVAXNFGV-UHFFFAOYSA-N 1 2 237.328 1.757 20 0 BDADLO CCn1c[nH+]cc1CNc1cc(COC)ncn1 ZINC000902090614 584524618 /nfs/dbraw/zinc/52/46/18/584524618.db2.gz WHWKXNGIBFMMNZ-UHFFFAOYSA-N 1 2 247.302 1.452 20 0 BDADLO COCc1nccc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000902140238 584527847 /nfs/dbraw/zinc/52/78/47/584527847.db2.gz UIQHAHSDESRTSL-UHFFFAOYSA-N 1 2 247.302 1.575 20 0 BDADLO CCn1cc(CNc2cc[nH+]c(C)n2)c(C)n1 ZINC000902127117 584529163 /nfs/dbraw/zinc/52/91/63/584529163.db2.gz MPKDIYAJAUFZGE-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO O=C1OCCN1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000902185407 584533734 /nfs/dbraw/zinc/53/37/34/584533734.db2.gz KAJSWPGVOSYGCS-UHFFFAOYSA-N 1 2 240.303 1.041 20 0 BDADLO O=C1OCCN1C[N@H+]1CCOC2(CCCC2)C1 ZINC000902185407 584533736 /nfs/dbraw/zinc/53/37/36/584533736.db2.gz KAJSWPGVOSYGCS-UHFFFAOYSA-N 1 2 240.303 1.041 20 0 BDADLO CCn1c[nH+]c(CNc2cnn(C)c2)c1 ZINC000902170316 584534486 /nfs/dbraw/zinc/53/44/86/584534486.db2.gz IESBSMXNBMTISY-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cccn(C)c1=O ZINC000902208683 584538454 /nfs/dbraw/zinc/53/84/54/584538454.db2.gz IPRNGWYKAYHVAT-UHFFFAOYSA-N 1 2 246.314 1.775 20 0 BDADLO NC(Cc1cccs1)=[NH+]OCCOC1CC1 ZINC000902249620 584546952 /nfs/dbraw/zinc/54/69/52/584546952.db2.gz KRNQBYMUYOGYNR-UHFFFAOYSA-N 1 2 240.328 1.968 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC[C@@H]1C[C@H]1C1CC1 ZINC000902281557 584547445 /nfs/dbraw/zinc/54/74/45/584547445.db2.gz LGIWXLHLQXBCTI-GDPRMGEGSA-N 1 2 226.320 1.956 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCOC1CC1 ZINC000902342317 584557787 /nfs/dbraw/zinc/55/77/87/584557787.db2.gz TVEIHYCLFSDDFP-UHFFFAOYSA-N 1 2 230.308 1.479 20 0 BDADLO COC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859050000 588994151 /nfs/dbraw/zinc/99/41/51/588994151.db2.gz IOHGVUBQELNCOS-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CNC(=O)C1 ZINC000902353044 584569701 /nfs/dbraw/zinc/56/97/01/584569701.db2.gz FXEDOXWQZUELAP-JTQLQIEISA-N 1 2 234.299 1.467 20 0 BDADLO c1cc(OC[C@@H]2C[C@]23CCOC3)cc[nH+]1 ZINC000902357694 584570130 /nfs/dbraw/zinc/57/01/30/584570130.db2.gz VSEUAOVMVUGOMG-JQWIXIFHSA-N 1 2 205.257 1.887 20 0 BDADLO NC(=[NH+]OCCc1ccns1)[C@H]1CCCO1 ZINC000902380580 584576209 /nfs/dbraw/zinc/57/62/09/584576209.db2.gz IHTZGVANQAQWPB-SECBINFHSA-N 1 2 241.316 1.363 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@@]12CCOC2)[C@@H]1CCCO1 ZINC000902384051 584577240 /nfs/dbraw/zinc/57/72/40/584577240.db2.gz YFRJKSFSXVZRSI-JBLDHEPKSA-N 1 2 240.303 1.090 20 0 BDADLO CCn1c[nH+]c(CNc2cc(C)n(C)n2)c1 ZINC000902401966 584587382 /nfs/dbraw/zinc/58/73/82/584587382.db2.gz GNMKYNPVQATBGF-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO Cc1c[nH]nc1COCc1ccc(N(C)C)[nH+]c1 ZINC000902468398 584615299 /nfs/dbraw/zinc/61/52/99/584615299.db2.gz WUPKBSHRGHSYOF-UHFFFAOYSA-N 1 2 246.314 1.896 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859091820 589000003 /nfs/dbraw/zinc/00/00/03/589000003.db2.gz ZQFBVYSVFNGZEC-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccnc(F)c1 ZINC000859091820 589000004 /nfs/dbraw/zinc/00/00/04/589000004.db2.gz ZQFBVYSVFNGZEC-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000902498004 584619237 /nfs/dbraw/zinc/61/92/37/584619237.db2.gz CHXVNLKYOWDCJN-QMMMGPOBSA-N 1 2 249.343 1.675 20 0 BDADLO CCn1c[nH+]c(CNCc2ccn(CC)n2)c1 ZINC000902597372 584640055 /nfs/dbraw/zinc/64/00/55/584640055.db2.gz UZFBPQLDKVQZTE-UHFFFAOYSA-N 1 2 233.319 1.409 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ccn(CC)n2)c1 ZINC000902597372 584640058 /nfs/dbraw/zinc/64/00/58/584640058.db2.gz UZFBPQLDKVQZTE-UHFFFAOYSA-N 1 2 233.319 1.409 20 0 BDADLO OCCCOc1ccc2c[nH+]ccc2c1 ZINC000902636403 584648126 /nfs/dbraw/zinc/64/81/26/584648126.db2.gz DNPUGBPRGUEZGT-UHFFFAOYSA-N 1 2 203.241 1.996 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000902634577 584648257 /nfs/dbraw/zinc/64/82/57/584648257.db2.gz MXFWQEJKUBNRCF-SECBINFHSA-N 1 2 241.722 1.438 20 0 BDADLO OC[C@H]1CC[N@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000902634577 584648258 /nfs/dbraw/zinc/64/82/58/584648258.db2.gz MXFWQEJKUBNRCF-SECBINFHSA-N 1 2 241.722 1.438 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cn1cccnc1=S ZINC000902640256 584649837 /nfs/dbraw/zinc/64/98/37/584649837.db2.gz WPYQBHWWKIMWFU-ZJUUUORDSA-N 1 2 239.344 1.679 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1cccnc1=S ZINC000902640256 584649838 /nfs/dbraw/zinc/64/98/38/584649838.db2.gz WPYQBHWWKIMWFU-ZJUUUORDSA-N 1 2 239.344 1.679 20 0 BDADLO CC1CC(Cn2cc[nH+]c2CN2CCOCC2)C1 ZINC000902762444 584663242 /nfs/dbraw/zinc/66/32/42/584663242.db2.gz BZVOCFXOOYKWBE-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO COCC(COC)O[NH+]=C(N)c1ccccc1 ZINC000902777276 584669247 /nfs/dbraw/zinc/66/92/47/584669247.db2.gz YGTKQRLWYUBRMY-UHFFFAOYSA-N 1 2 238.287 1.195 20 0 BDADLO Cn1c[nH+]cc1COc1cc(F)ccc1CO ZINC000902781591 584670354 /nfs/dbraw/zinc/67/03/54/584670354.db2.gz AMFCNZBJSFSPJG-UHFFFAOYSA-N 1 2 236.246 1.631 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)N2CCCC2)c2[nH+]ccn21 ZINC000902943587 584695879 /nfs/dbraw/zinc/69/58/79/584695879.db2.gz SRLKGPUDJRLNNU-VHSXEESVSA-N 1 2 234.303 1.694 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N2CCCC2)c2[nH+]ccn21 ZINC000902943588 584695895 /nfs/dbraw/zinc/69/58/95/584695895.db2.gz SRLKGPUDJRLNNU-ZJUUUORDSA-N 1 2 234.303 1.694 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992365 584710819 /nfs/dbraw/zinc/71/08/19/584710819.db2.gz KGYGCEXSRHMNPI-MNOVXSKESA-N 1 2 242.338 1.820 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992365 584710821 /nfs/dbraw/zinc/71/08/21/584710821.db2.gz KGYGCEXSRHMNPI-MNOVXSKESA-N 1 2 242.338 1.820 20 0 BDADLO CC1CCN(C(=O)C[N@@H+]2CCC[C@H](F)C2)CC1 ZINC000903001563 584715695 /nfs/dbraw/zinc/71/56/95/584715695.db2.gz PGVRKYONTRJEFC-LBPRGKRZSA-N 1 2 242.338 1.679 20 0 BDADLO CC1CCN(C(=O)C[N@H+]2CCC[C@H](F)C2)CC1 ZINC000903001563 584715696 /nfs/dbraw/zinc/71/56/96/584715696.db2.gz PGVRKYONTRJEFC-LBPRGKRZSA-N 1 2 242.338 1.679 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903004070 584716911 /nfs/dbraw/zinc/71/69/11/584716911.db2.gz YZJBVEMYXLKFNE-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903004070 584716912 /nfs/dbraw/zinc/71/69/12/584716912.db2.gz YZJBVEMYXLKFNE-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003394 584717030 /nfs/dbraw/zinc/71/70/30/584717030.db2.gz NHCKTQXYMLBDAJ-SNVBAGLBSA-N 1 2 216.300 1.289 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(F)cn1 ZINC000903351035 584755301 /nfs/dbraw/zinc/75/53/01/584755301.db2.gz GFQIFMQHMPUSQQ-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO C[C@@H](NCc1cn(C)c[nH+]1)c1cc2n(n1)CCC2 ZINC000903351547 584755311 /nfs/dbraw/zinc/75/53/11/584755311.db2.gz LVLLYWYENCMQFM-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc2n(n1)CCC2 ZINC000903351547 584755312 /nfs/dbraw/zinc/75/53/12/584755312.db2.gz LVLLYWYENCMQFM-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC000903397350 584757586 /nfs/dbraw/zinc/75/75/86/584757586.db2.gz XGLHRXKRTRBEPA-FYBVGQRMSA-N 1 2 209.293 1.404 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]C/C=C\Cl ZINC000903446585 584769803 /nfs/dbraw/zinc/76/98/03/584769803.db2.gz ZEDOXSACLOGXBP-KGJQDRRLSA-N 1 2 201.657 1.781 20 0 BDADLO C[C@H](c1noc(Cn2cc[nH+]c2)n1)[C@@H]1CCCO1 ZINC000903815414 584801177 /nfs/dbraw/zinc/80/11/77/584801177.db2.gz JRRFTXVCQDEZHI-UWVGGRQHSA-N 1 2 248.286 1.597 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856191 584809117 /nfs/dbraw/zinc/80/91/17/584809117.db2.gz QIKITQPULRUASU-KBPBESRZSA-N 1 2 248.374 1.395 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856191 584809118 /nfs/dbraw/zinc/80/91/18/584809118.db2.gz QIKITQPULRUASU-KBPBESRZSA-N 1 2 248.374 1.395 20 0 BDADLO Nc1ccc2c(c1)C[N@@H+](Cc1cc[nH]n1)CCO2 ZINC000903946835 584829566 /nfs/dbraw/zinc/82/95/66/584829566.db2.gz CMKTWURPPDNBEF-UHFFFAOYSA-N 1 2 244.298 1.387 20 0 BDADLO Nc1ccc2c(c1)C[N@H+](Cc1cc[nH]n1)CCO2 ZINC000903946835 584829568 /nfs/dbraw/zinc/82/95/68/584829568.db2.gz CMKTWURPPDNBEF-UHFFFAOYSA-N 1 2 244.298 1.387 20 0 BDADLO CC1=NO[C@@](C)(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000904100915 584841203 /nfs/dbraw/zinc/84/12/03/584841203.db2.gz PGFWUOWTKPMEOR-GFCCVEGCSA-N 1 2 233.271 1.305 20 0 BDADLO CC(C)(C)c1cnc(C[NH2+][C@@H]2CNOC2)s1 ZINC000904423558 584880138 /nfs/dbraw/zinc/88/01/38/584880138.db2.gz BUQOUMAUFLMVIE-MRVPVSSYSA-N 1 2 241.360 1.434 20 0 BDADLO Fc1cccc(Cl)c1C[NH2+][C@H]1CNOC1 ZINC000904426905 584881645 /nfs/dbraw/zinc/88/16/45/584881645.db2.gz KANSVJBBQPYNGI-ZETCQYMHSA-N 1 2 230.670 1.472 20 0 BDADLO CCC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803493474 584888616 /nfs/dbraw/zinc/88/86/16/584888616.db2.gz OCBBPBFXYJSLLC-SNVBAGLBSA-N 1 2 215.293 1.095 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761080434 584909019 /nfs/dbraw/zinc/90/90/19/584909019.db2.gz DJHSUIOZZZZGTP-HLTSFMKQSA-N 1 2 223.276 1.371 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761080434 584909020 /nfs/dbraw/zinc/90/90/20/584909020.db2.gz DJHSUIOZZZZGTP-HLTSFMKQSA-N 1 2 223.276 1.371 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(F)(F)F ZINC000731017618 584921135 /nfs/dbraw/zinc/92/11/35/584921135.db2.gz BLCUFYOAGHLNGC-MRVPVSSYSA-N 1 2 236.237 1.149 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(F)(F)F ZINC000731017619 584921313 /nfs/dbraw/zinc/92/13/13/584921313.db2.gz BLCUFYOAGHLNGC-QMMMGPOBSA-N 1 2 236.237 1.149 20 0 BDADLO CCOC(=O)/C(=C/c1[nH]cc[nH+]1)c1nccn1C ZINC000731159979 584922973 /nfs/dbraw/zinc/92/29/73/584922973.db2.gz ZQPSULSURHJQOG-CMDGGOBGSA-N 1 2 246.270 1.247 20 0 BDADLO CC(C)c1ocnc1C(=O)NCCn1cc[nH+]c1 ZINC000731960659 584932389 /nfs/dbraw/zinc/93/23/89/584932389.db2.gz AHWILKNGLRGMIW-UHFFFAOYSA-N 1 2 248.286 1.425 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC2(Cl)Cl)c[nH+]1 ZINC000732267845 584935061 /nfs/dbraw/zinc/93/50/61/584935061.db2.gz ZDYBGGVIELLAGI-ZCFIWIBFSA-N 1 2 248.113 1.642 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1CCC1 ZINC000788078980 585010045 /nfs/dbraw/zinc/01/00/45/585010045.db2.gz AISOIDJNMJKMLA-JTQLQIEISA-N 1 2 215.268 1.374 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1CCC1 ZINC000788078980 585010046 /nfs/dbraw/zinc/01/00/46/585010046.db2.gz AISOIDJNMJKMLA-JTQLQIEISA-N 1 2 215.268 1.374 20 0 BDADLO O=C(NOCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000820485212 585013818 /nfs/dbraw/zinc/01/38/18/585013818.db2.gz YIEFFYRJBPESIG-UHFFFAOYSA-N 1 2 231.255 1.634 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cccs1 ZINC000788079959 585022308 /nfs/dbraw/zinc/02/23/08/585022308.db2.gz HWICYGSMSHAQAW-SECBINFHSA-N 1 2 243.303 1.949 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cccs1 ZINC000788079959 585022309 /nfs/dbraw/zinc/02/23/09/585022309.db2.gz HWICYGSMSHAQAW-SECBINFHSA-N 1 2 243.303 1.949 20 0 BDADLO CC/C=C(\F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104937 585023440 /nfs/dbraw/zinc/02/34/40/585023440.db2.gz ULAUEROUJXKCHS-WTKPLQERSA-N 1 2 211.240 1.300 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)C(C)(C)C ZINC000890114017 585024071 /nfs/dbraw/zinc/02/40/71/585024071.db2.gz UKRLIQOTLFHHBV-SECBINFHSA-N 1 2 223.320 1.719 20 0 BDADLO CNC(=S)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000840783978 585029817 /nfs/dbraw/zinc/02/98/17/585029817.db2.gz OLBUABGBEKTYOL-QMMMGPOBSA-N 1 2 238.360 1.307 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788083668 585030938 /nfs/dbraw/zinc/03/09/38/585030938.db2.gz LYMDJAHQOYOILJ-BBBLOLIVSA-N 1 2 215.268 1.229 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788083668 585030939 /nfs/dbraw/zinc/03/09/39/585030939.db2.gz LYMDJAHQOYOILJ-BBBLOLIVSA-N 1 2 215.268 1.229 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1CCCC1 ZINC000788086297 585039322 /nfs/dbraw/zinc/03/93/22/585039322.db2.gz ZIJZERXDBCFOQX-NSHDSACASA-N 1 2 229.295 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1CCCC1 ZINC000788086297 585039323 /nfs/dbraw/zinc/03/93/23/585039323.db2.gz ZIJZERXDBCFOQX-NSHDSACASA-N 1 2 229.295 1.764 20 0 BDADLO CC[C@](C)(CO)C(=O)OCc1cc[nH+]c(N)c1 ZINC000838210399 585048401 /nfs/dbraw/zinc/04/84/01/585048401.db2.gz TUQDJMWCWWIYQA-GFCCVEGCSA-N 1 2 238.287 1.116 20 0 BDADLO CC(C(=O)OCC[NH+]1CCOCC1)=C1CCC1 ZINC000838237140 585049830 /nfs/dbraw/zinc/04/98/30/585049830.db2.gz VAOGSTAEKPUUPQ-UHFFFAOYSA-N 1 2 239.315 1.362 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838454630 585058624 /nfs/dbraw/zinc/05/86/24/585058624.db2.gz WVFKTHNLEBZGBP-AXFHLTTASA-N 1 2 248.282 1.042 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnccn2)C[C@H]1F ZINC000838996780 585085143 /nfs/dbraw/zinc/08/51/43/585085143.db2.gz ZWVJRSYDDOOVRC-GXSJLCMTSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnccn2)C[C@H]1F ZINC000838996780 585085144 /nfs/dbraw/zinc/08/51/44/585085144.db2.gz ZWVJRSYDDOOVRC-GXSJLCMTSA-N 1 2 209.268 1.657 20 0 BDADLO CCn1ncc(C[N@H+](C)CCc2ccccn2)n1 ZINC000839007701 585086818 /nfs/dbraw/zinc/08/68/18/585086818.db2.gz HMXKPNUVSONHDV-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1ncc(C[N@@H+](C)CCc2ccccn2)n1 ZINC000839007701 585086819 /nfs/dbraw/zinc/08/68/19/585086819.db2.gz HMXKPNUVSONHDV-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO FC(F)COC1C[NH+](C[C@H]2CCC=CO2)C1 ZINC000839138512 585094450 /nfs/dbraw/zinc/09/44/50/585094450.db2.gz QSMXRPKIUIWGFA-SECBINFHSA-N 1 2 233.258 1.645 20 0 BDADLO CN(CC1CCC1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000740868843 585107437 /nfs/dbraw/zinc/10/74/37/585107437.db2.gz RLTIPLHDFFLDKV-UHFFFAOYSA-N 1 2 243.314 1.899 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OC[C@H]1CCOC1 ZINC000741753471 585117536 /nfs/dbraw/zinc/11/75/36/585117536.db2.gz AJPRJVFHWPUBQW-LBPRGKRZSA-N 1 2 234.299 1.764 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](CCO)C1CC1 ZINC000741776484 585118293 /nfs/dbraw/zinc/11/82/93/585118293.db2.gz JAWISAMNYXDXPZ-JTQLQIEISA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](CCO)C1CC1 ZINC000741776484 585118294 /nfs/dbraw/zinc/11/82/94/585118294.db2.gz JAWISAMNYXDXPZ-JTQLQIEISA-N 1 2 229.320 1.175 20 0 BDADLO C[N@H+](Cn1nc2c(cc1=O)CCCC2)C1CCC1 ZINC000742172546 585122490 /nfs/dbraw/zinc/12/24/90/585122490.db2.gz DKPAFIRHBCHXKV-UHFFFAOYSA-N 1 2 247.342 1.564 20 0 BDADLO C[N@@H+](Cn1nc2c(cc1=O)CCCC2)C1CCC1 ZINC000742172546 585122491 /nfs/dbraw/zinc/12/24/91/585122491.db2.gz DKPAFIRHBCHXKV-UHFFFAOYSA-N 1 2 247.342 1.564 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ncccn1 ZINC000742230444 585123717 /nfs/dbraw/zinc/12/37/17/585123717.db2.gz PVBAGHGAJRHSOJ-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000743359832 585135933 /nfs/dbraw/zinc/13/59/33/585135933.db2.gz MAUMBNNPAHXLST-GFCCVEGCSA-N 1 2 240.347 1.315 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000743359832 585135934 /nfs/dbraw/zinc/13/59/34/585135934.db2.gz MAUMBNNPAHXLST-GFCCVEGCSA-N 1 2 240.347 1.315 20 0 BDADLO COC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743921531 585141993 /nfs/dbraw/zinc/14/19/93/585141993.db2.gz NCMXKVASUBSGOG-UHFFFAOYSA-N 1 2 220.272 1.358 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000744399720 585149693 /nfs/dbraw/zinc/14/96/93/585149693.db2.gz XXIHSOAFTZQTLV-GFCCVEGCSA-N 1 2 241.718 1.704 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(F)F ZINC000745081438 585156064 /nfs/dbraw/zinc/15/60/64/585156064.db2.gz ZBIZGNLPFWWQRW-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(F)F ZINC000745081438 585156065 /nfs/dbraw/zinc/15/60/65/585156065.db2.gz ZBIZGNLPFWWQRW-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO Cc1cnc(COC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC000745079852 585156105 /nfs/dbraw/zinc/15/61/05/585156105.db2.gz QDZHNNBDABNXOG-JTQLQIEISA-N 1 2 238.287 1.511 20 0 BDADLO Cc1cnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC000745079852 585156106 /nfs/dbraw/zinc/15/61/06/585156106.db2.gz QDZHNNBDABNXOG-JTQLQIEISA-N 1 2 238.287 1.511 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccno1 ZINC000745080415 585156227 /nfs/dbraw/zinc/15/62/27/585156227.db2.gz AHYRBXKMBRLESK-SNVBAGLBSA-N 1 2 224.260 1.202 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccno1 ZINC000745080415 585156228 /nfs/dbraw/zinc/15/62/28/585156228.db2.gz AHYRBXKMBRLESK-SNVBAGLBSA-N 1 2 224.260 1.202 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745084446 585156600 /nfs/dbraw/zinc/15/66/00/585156600.db2.gz UANSKYQBYWSMTA-MNOVXSKESA-N 1 2 241.331 1.772 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745084446 585156601 /nfs/dbraw/zinc/15/66/01/585156601.db2.gz UANSKYQBYWSMTA-MNOVXSKESA-N 1 2 241.331 1.772 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccon1 ZINC000745084021 585156649 /nfs/dbraw/zinc/15/66/49/585156649.db2.gz QPVZUPBPGLWQLK-LLVKDONJSA-N 1 2 238.287 1.592 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccon1 ZINC000745084021 585156650 /nfs/dbraw/zinc/15/66/50/585156650.db2.gz QPVZUPBPGLWQLK-LLVKDONJSA-N 1 2 238.287 1.592 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1ccnc(F)c1 ZINC000859209959 589019582 /nfs/dbraw/zinc/01/95/82/589019582.db2.gz BELWIJKRSPBULI-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000746273019 585166620 /nfs/dbraw/zinc/16/66/20/585166620.db2.gz CMTIYESNZOMAMP-JTQLQIEISA-N 1 2 223.320 1.682 20 0 BDADLO Oc1ccccc1N1CC[NH+](CCF)CC1 ZINC000746494427 585168777 /nfs/dbraw/zinc/16/87/77/585168777.db2.gz GWYPRFJVJZQCJE-UHFFFAOYSA-N 1 2 224.279 1.484 20 0 BDADLO COCC[N@H+](CC(C)C)Cn1ccsc1=O ZINC000746603735 585170645 /nfs/dbraw/zinc/17/06/45/585170645.db2.gz STCJBNBLSOIZQD-UHFFFAOYSA-N 1 2 244.360 1.472 20 0 BDADLO COCC[N@@H+](CC(C)C)Cn1ccsc1=O ZINC000746603735 585170646 /nfs/dbraw/zinc/17/06/46/585170646.db2.gz STCJBNBLSOIZQD-UHFFFAOYSA-N 1 2 244.360 1.472 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(F)cc1F ZINC000746650944 585171689 /nfs/dbraw/zinc/17/16/89/585171689.db2.gz FQHMUEWRHCBWMP-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(F)cc1F ZINC000746650944 585171690 /nfs/dbraw/zinc/17/16/90/585171690.db2.gz FQHMUEWRHCBWMP-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO C[N@H+](CC1CC1)Cn1nc2c(cc1=O)CCCC2 ZINC000746658086 585172108 /nfs/dbraw/zinc/17/21/08/585172108.db2.gz SAVDKIFMGRYWKG-UHFFFAOYSA-N 1 2 247.342 1.421 20 0 BDADLO C[N@@H+](CC1CC1)Cn1nc2c(cc1=O)CCCC2 ZINC000746658086 585172109 /nfs/dbraw/zinc/17/21/09/585172109.db2.gz SAVDKIFMGRYWKG-UHFFFAOYSA-N 1 2 247.342 1.421 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)c(C)n1 ZINC000789609396 585172880 /nfs/dbraw/zinc/17/28/80/585172880.db2.gz NIMFSGCLNIACDB-GFCCVEGCSA-N 1 2 249.314 1.876 20 0 BDADLO Cc1ccnc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000789607792 585173051 /nfs/dbraw/zinc/17/30/51/585173051.db2.gz CPICICQLTAHEFD-NSHDSACASA-N 1 2 235.287 1.567 20 0 BDADLO CCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789613032 585177371 /nfs/dbraw/zinc/17/73/71/585177371.db2.gz WIAZPNLYKWPXKJ-VIFPVBQESA-N 1 2 200.282 1.854 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ccccc1F ZINC000747783748 585184146 /nfs/dbraw/zinc/18/41/46/585184146.db2.gz UTWLCKKWSFQZTC-UHFFFAOYSA-N 1 2 234.230 1.916 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cccc(F)n1 ZINC000747935832 585185935 /nfs/dbraw/zinc/18/59/35/585185935.db2.gz PQHXYKROEMSLKC-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCc1ocnc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748350369 585190940 /nfs/dbraw/zinc/19/09/40/585190940.db2.gz SEZPCBBSYINIED-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1ocnc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748350369 585190941 /nfs/dbraw/zinc/19/09/41/585190941.db2.gz SEZPCBBSYINIED-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CC(C)(C)c1nc(N[C@@H](CO)C2CC2)cc[nH+]1 ZINC000749282878 585200983 /nfs/dbraw/zinc/20/09/83/585200983.db2.gz SRLLWCQHSAWSHC-JTQLQIEISA-N 1 2 235.331 1.957 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CCc1cccs1)C2 ZINC000750058012 585210020 /nfs/dbraw/zinc/21/00/20/585210020.db2.gz PIMVDTCTDLLAJR-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CCc1cccs1)C2 ZINC000750058012 585210021 /nfs/dbraw/zinc/21/00/21/585210021.db2.gz PIMVDTCTDLLAJR-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO COc1ccccc1OC(=O)[C@H](C)[NH+](C)C ZINC000750195759 585212162 /nfs/dbraw/zinc/21/21/62/585212162.db2.gz MNLOWBQDYUYGTK-VIFPVBQESA-N 1 2 223.272 1.551 20 0 BDADLO C/C=C(/C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000751351184 585226997 /nfs/dbraw/zinc/22/69/97/585226997.db2.gz TZJNXMTZYDTCNG-YHYXMXQVSA-N 1 2 233.315 1.730 20 0 BDADLO CS/C=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000751581138 585233712 /nfs/dbraw/zinc/23/37/12/585233712.db2.gz HMMMFAAKZWLSLN-WTKPLQERSA-N 1 2 239.344 1.656 20 0 BDADLO CS/C=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000751584877 585234209 /nfs/dbraw/zinc/23/42/09/585234209.db2.gz DGAJRNFYGFNNNL-NWPZZWLHSA-N 1 2 239.344 1.512 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000753607354 585263755 /nfs/dbraw/zinc/26/37/55/585263755.db2.gz DDQCDGUNSFKCKG-QLWWJYNRSA-N 1 2 233.315 1.815 20 0 BDADLO C/C(=C/C(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000753680977 585266194 /nfs/dbraw/zinc/26/61/94/585266194.db2.gz ZMTCXTJJFVUJJP-YFHOEESVSA-N 1 2 233.315 1.435 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)C(C)(C)C ZINC000753769631 585268572 /nfs/dbraw/zinc/26/85/72/585268572.db2.gz NRSVJBSCYYCPTN-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)C(C)(C)C ZINC000753769631 585268573 /nfs/dbraw/zinc/26/85/73/585268573.db2.gz NRSVJBSCYYCPTN-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)[C@@H](C)CO1 ZINC000754001099 585274840 /nfs/dbraw/zinc/27/48/40/585274840.db2.gz YFWMKYZWNXPBOD-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)[C@@H](C)CO1 ZINC000754001099 585274841 /nfs/dbraw/zinc/27/48/41/585274841.db2.gz YFWMKYZWNXPBOD-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO CCC/C(C)=C\C(=O)NCc1c[nH+]c[nH]1 ZINC000754292739 585282256 /nfs/dbraw/zinc/28/22/56/585282256.db2.gz LEIVFTKOASDFDO-UITAMQMPSA-N 1 2 207.277 1.772 20 0 BDADLO CCCC(C)=CC(=O)NCc1c[nH]c[nH+]1 ZINC000754292739 585282257 /nfs/dbraw/zinc/28/22/57/585282257.db2.gz LEIVFTKOASDFDO-UITAMQMPSA-N 1 2 207.277 1.772 20 0 BDADLO CC(C)CO[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000754686160 585289354 /nfs/dbraw/zinc/28/93/54/585289354.db2.gz YTPQVWIRZLIUIF-SNVBAGLBSA-N 1 2 240.303 1.524 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000754683580 585289418 /nfs/dbraw/zinc/28/94/18/585289418.db2.gz IYOPXXUAVRFTEZ-GDNZZTSVSA-N 1 2 234.299 1.900 20 0 BDADLO Cc1cc(C)c(C(=O)OCc2c[nH+]cn2C)o1 ZINC000754684147 585289508 /nfs/dbraw/zinc/28/95/08/585289508.db2.gz GZGXFEMGCWZJAW-UHFFFAOYSA-N 1 2 234.255 1.987 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000755169947 585295669 /nfs/dbraw/zinc/29/56/69/585295669.db2.gz PBGCZWVCQAKSHI-DMDPSCGWSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)nc(C)n1 ZINC000755165766 585295699 /nfs/dbraw/zinc/29/56/99/585295699.db2.gz XFQLCJNTPRQYJY-UHFFFAOYSA-N 1 2 246.270 1.147 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000755169949 585295733 /nfs/dbraw/zinc/29/57/33/585295733.db2.gz PBGCZWVCQAKSHI-GVXVVHGQSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccc(NC(=O)c2cccc[n+]2[O-])c(C)[nH+]1 ZINC000755607680 585302345 /nfs/dbraw/zinc/30/23/45/585302345.db2.gz OZTMUKZOLOYMRH-UHFFFAOYSA-N 1 2 243.266 1.584 20 0 BDADLO Cc1ccc(NC(=O)c2ncccn2)c(C)[nH+]1 ZINC000755621687 585302547 /nfs/dbraw/zinc/30/25/47/585302547.db2.gz VPOCTLRHSQNXMV-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO C/C=C(/C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756138213 585315110 /nfs/dbraw/zinc/31/51/10/585315110.db2.gz RWOJAKJAAQWQFP-FGUAACIASA-N 1 2 233.315 1.702 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000757314876 585332092 /nfs/dbraw/zinc/33/20/92/585332092.db2.gz INJCIMKMSCCSPO-GHMZBOCLSA-N 1 2 238.287 1.421 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C(N)=O)no2)c(C)o1 ZINC000757906113 585346711 /nfs/dbraw/zinc/34/67/11/585346711.db2.gz JFVUUUFMOXGUGQ-UHFFFAOYSA-N 1 2 249.270 1.273 20 0 BDADLO CCN(C)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000758759792 585359573 /nfs/dbraw/zinc/35/95/73/585359573.db2.gz CIMOKIUPVYYNJS-UHFFFAOYSA-N 1 2 235.287 1.011 20 0 BDADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000759340544 585368611 /nfs/dbraw/zinc/36/86/11/585368611.db2.gz VUXBCDISCQJBEC-SNVBAGLBSA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000759340544 585368612 /nfs/dbraw/zinc/36/86/12/585368612.db2.gz VUXBCDISCQJBEC-SNVBAGLBSA-N 1 2 216.300 1.193 20 0 BDADLO CC1(C)C[NH+]=C(N2CCN(CCF)CC2)S1 ZINC000759341558 585369132 /nfs/dbraw/zinc/36/91/32/585369132.db2.gz BLJDNTUYKBPYIR-UHFFFAOYSA-N 1 2 245.367 1.455 20 0 BDADLO Cc1ncc(C[NH+]2CCN(CCF)CC2)s1 ZINC000759344275 585369416 /nfs/dbraw/zinc/36/94/16/585369416.db2.gz CVLDKIIONWZWSC-UHFFFAOYSA-N 1 2 243.351 1.539 20 0 BDADLO C/C=C\C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759470492 585373744 /nfs/dbraw/zinc/37/37/44/585373744.db2.gz SEDLTGYTKYOMEI-RRNNCXACSA-N 1 2 233.315 1.869 20 0 BDADLO CCONC(=O)Nc1cc(C)[nH+]cc1C ZINC000760002328 585383848 /nfs/dbraw/zinc/38/38/48/585383848.db2.gz QSUYEQLCNNOVDB-UHFFFAOYSA-N 1 2 209.249 1.193 20 0 BDADLO NC(=O)C1([NH2+]Cc2ncc(C3CC3)o2)CCCC1 ZINC000760863789 585400371 /nfs/dbraw/zinc/40/03/71/585400371.db2.gz VPBBCLLICFYLBY-UHFFFAOYSA-N 1 2 249.314 1.440 20 0 BDADLO Cc1nnc([C@H]2CCC[N@H+](CCF)C2)[nH]1 ZINC000760963875 585402871 /nfs/dbraw/zinc/40/28/71/585402871.db2.gz UUUPXUMBLNHGOI-VIFPVBQESA-N 1 2 212.272 1.262 20 0 BDADLO Cc1nnc([C@H]2CCC[N@@H+](CCF)C2)[nH]1 ZINC000760963875 585402872 /nfs/dbraw/zinc/40/28/72/585402872.db2.gz UUUPXUMBLNHGOI-VIFPVBQESA-N 1 2 212.272 1.262 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@H+](CCF)C2)n1 ZINC000760963875 585402873 /nfs/dbraw/zinc/40/28/73/585402873.db2.gz UUUPXUMBLNHGOI-VIFPVBQESA-N 1 2 212.272 1.262 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@@H+](CCF)C2)n1 ZINC000760963875 585402874 /nfs/dbraw/zinc/40/28/74/585402874.db2.gz UUUPXUMBLNHGOI-VIFPVBQESA-N 1 2 212.272 1.262 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](CCF)C2)n[nH]1 ZINC000760963875 585402876 /nfs/dbraw/zinc/40/28/76/585402876.db2.gz UUUPXUMBLNHGOI-VIFPVBQESA-N 1 2 212.272 1.262 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000761048469 585403967 /nfs/dbraw/zinc/40/39/67/585403967.db2.gz FBDHIPZZMMCFHB-ZETCQYMHSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000761048469 585403968 /nfs/dbraw/zinc/40/39/68/585403968.db2.gz FBDHIPZZMMCFHB-ZETCQYMHSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761050561 585404091 /nfs/dbraw/zinc/40/40/91/585404091.db2.gz LCQBQWZCQZALIJ-ZETCQYMHSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761050561 585404092 /nfs/dbraw/zinc/40/40/92/585404092.db2.gz LCQBQWZCQZALIJ-ZETCQYMHSA-N 1 2 235.209 1.762 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2)CCN1C ZINC000761084322 585407031 /nfs/dbraw/zinc/40/70/31/585407031.db2.gz YYDIUCLNRRSEMO-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2)CCN1C ZINC000761084322 585407032 /nfs/dbraw/zinc/40/70/32/585407032.db2.gz YYDIUCLNRRSEMO-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO FC(F)(F)Cc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761085710 585407397 /nfs/dbraw/zinc/40/73/97/585407397.db2.gz CUVZEMJFDVZFKH-RQJHMYQMSA-N 1 2 247.220 1.769 20 0 BDADLO FC(F)(F)Cc1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761085710 585407398 /nfs/dbraw/zinc/40/73/98/585407398.db2.gz CUVZEMJFDVZFKH-RQJHMYQMSA-N 1 2 247.220 1.769 20 0 BDADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761095052 585408504 /nfs/dbraw/zinc/40/85/04/585408504.db2.gz PWMJMUCIEAPDRU-SFYZADRCSA-N 1 2 236.237 1.101 20 0 BDADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761095052 585408505 /nfs/dbraw/zinc/40/85/05/585408505.db2.gz PWMJMUCIEAPDRU-SFYZADRCSA-N 1 2 236.237 1.101 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@H]2C[C@H]21)c1nccs1 ZINC000761093997 585408700 /nfs/dbraw/zinc/40/87/00/585408700.db2.gz MTATXLADWSOIOH-DTWKUNHWSA-N 1 2 237.328 1.200 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@H]2C[C@H]21)c1nccs1 ZINC000761093997 585408701 /nfs/dbraw/zinc/40/87/01/585408701.db2.gz MTATXLADWSOIOH-DTWKUNHWSA-N 1 2 237.328 1.200 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761108363 585409910 /nfs/dbraw/zinc/40/99/10/585409910.db2.gz LOSUJFDDMRBNKW-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000761108363 585409911 /nfs/dbraw/zinc/40/99/11/585409911.db2.gz LOSUJFDDMRBNKW-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO CCONC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000761991954 585423606 /nfs/dbraw/zinc/42/36/06/585423606.db2.gz LTFGKZPFCQXPGN-UHFFFAOYSA-N 1 2 249.314 1.253 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cccc(O)c1 ZINC000763117696 585443209 /nfs/dbraw/zinc/44/32/09/585443209.db2.gz YDOHBFZOXPKCSN-UHFFFAOYSA-N 1 2 232.239 1.446 20 0 BDADLO C/C=C/C=C/C(=O)OCCn1cc[nH+]c1 ZINC000763115420 585443241 /nfs/dbraw/zinc/44/32/41/585443241.db2.gz NETHMLXTZQAJTE-MQQKCMAXSA-N 1 2 206.245 1.559 20 0 BDADLO O=C(Cc1ccccc1F)OCCn1cc[nH+]c1 ZINC000763117181 585443314 /nfs/dbraw/zinc/44/33/14/585443314.db2.gz WETBILVWWTXIQS-UHFFFAOYSA-N 1 2 248.257 1.808 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000763272800 585444901 /nfs/dbraw/zinc/44/49/01/585444901.db2.gz VCICVMWRDYBVFW-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000763272797 585445714 /nfs/dbraw/zinc/44/57/14/585445714.db2.gz VCICVMWRDYBVFW-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000763287936 585446030 /nfs/dbraw/zinc/44/60/30/585446030.db2.gz PUFWPIZNRPCBML-UWVGGRQHSA-N 1 2 208.261 1.472 20 0 BDADLO O=C1O[C@H](C[N@H+]2CCC[C@H]2C(F)F)CC12CC2 ZINC000763732014 585453648 /nfs/dbraw/zinc/45/36/48/585453648.db2.gz BUGKONMXZLNPNO-IUCAKERBSA-N 1 2 245.269 1.812 20 0 BDADLO O=C1O[C@H](C[N@@H+]2CCC[C@H]2C(F)F)CC12CC2 ZINC000763732014 585453649 /nfs/dbraw/zinc/45/36/49/585453649.db2.gz BUGKONMXZLNPNO-IUCAKERBSA-N 1 2 245.269 1.812 20 0 BDADLO O=c1sccn1C[N@@H+]1CCOC2(CCC2)C1 ZINC000765724947 585492298 /nfs/dbraw/zinc/49/22/98/585492298.db2.gz MNVJGOWJFYQNRU-UHFFFAOYSA-N 1 2 240.328 1.122 20 0 BDADLO O=c1sccn1C[N@H+]1CCOC2(CCC2)C1 ZINC000765724947 585492299 /nfs/dbraw/zinc/49/22/99/585492299.db2.gz MNVJGOWJFYQNRU-UHFFFAOYSA-N 1 2 240.328 1.122 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCSC1 ZINC000765965114 585494640 /nfs/dbraw/zinc/49/46/40/585494640.db2.gz DCRAHZMNSUSNDV-WDEREUQCSA-N 1 2 243.372 1.910 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCSC1 ZINC000765965114 585494641 /nfs/dbraw/zinc/49/46/41/585494641.db2.gz DCRAHZMNSUSNDV-WDEREUQCSA-N 1 2 243.372 1.910 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2cnccn2)[nH]n1 ZINC000765991193 585495393 /nfs/dbraw/zinc/49/53/93/585495393.db2.gz AYLGCZJMJYUAEI-SECBINFHSA-N 1 2 231.303 1.613 20 0 BDADLO O=C(CC[NH+]1CCN(CC(F)F)CC1)C1CC1 ZINC000767352756 585517407 /nfs/dbraw/zinc/51/74/07/585517407.db2.gz KEOYROIBXPOHRC-UHFFFAOYSA-N 1 2 246.301 1.238 20 0 BDADLO CCOC(C[NH2+][C@H](C)c1nc(C)no1)OCC ZINC000767849331 585526896 /nfs/dbraw/zinc/52/68/96/585526896.db2.gz ITSUSBFSOUGRDF-MRVPVSSYSA-N 1 2 243.307 1.428 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](CO)C2CC2)c(C)c[nH+]1 ZINC000767941033 585528839 /nfs/dbraw/zinc/52/88/39/585528839.db2.gz DFZJQCWDOGVHNH-LBPRGKRZSA-N 1 2 249.314 1.013 20 0 BDADLO C/C=C\C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768143320 585533057 /nfs/dbraw/zinc/53/30/57/585533057.db2.gz TXLRSTGWZRXVHT-USEMIUTHSA-N 1 2 233.315 1.702 20 0 BDADLO CN(C)C(=O)N1CC[NH+](Cc2ccoc2)CC1 ZINC000768299379 585535338 /nfs/dbraw/zinc/53/53/38/585535338.db2.gz LUEFBWDUHOSTGD-UHFFFAOYSA-N 1 2 237.303 1.079 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccoc1Cl ZINC000768965341 585546876 /nfs/dbraw/zinc/54/68/76/585546876.db2.gz TXJOFNXKJRFUAC-UHFFFAOYSA-N 1 2 240.646 1.987 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000769205807 585550999 /nfs/dbraw/zinc/55/09/99/585550999.db2.gz IRELTZFFIZQCJS-NSHDSACASA-N 1 2 220.272 1.086 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000769205807 585551000 /nfs/dbraw/zinc/55/10/00/585551000.db2.gz IRELTZFFIZQCJS-NSHDSACASA-N 1 2 220.272 1.086 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1nc2ccccc2[nH]1 ZINC000769423845 585555870 /nfs/dbraw/zinc/55/58/70/585555870.db2.gz HYNABBFEFGWISN-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1nc2ccccc2[nH]1 ZINC000769423845 585555871 /nfs/dbraw/zinc/55/58/71/585555871.db2.gz HYNABBFEFGWISN-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO Cc1[nH+]c(-c2nc(N(C)C)no2)c2ccccn12 ZINC000769864537 585565537 /nfs/dbraw/zinc/56/55/37/585565537.db2.gz CDIAKWQVIIQJBK-UHFFFAOYSA-N 1 2 243.270 1.759 20 0 BDADLO Cn1c[nH+]cc1CNc1cnn(C)c1C1CC1 ZINC000769923737 585566655 /nfs/dbraw/zinc/56/66/55/585566655.db2.gz NZORLACNZWNRSB-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000770064134 585570385 /nfs/dbraw/zinc/57/03/85/585570385.db2.gz CENMTEIWSXOSBF-SECBINFHSA-N 1 2 229.283 1.863 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770409380 585573745 /nfs/dbraw/zinc/57/37/45/585573745.db2.gz RMKFPYWRNIIYRF-NXEZZACHSA-N 1 2 229.283 1.720 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@H](C)c1ncc(C)o1 ZINC000770699628 585580359 /nfs/dbraw/zinc/58/03/59/585580359.db2.gz RIPNFWROUVZILE-HTQZYQBOSA-N 1 2 227.264 1.577 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000771403634 585593685 /nfs/dbraw/zinc/59/36/85/585593685.db2.gz LZCBSXPSPBVWAL-VHSXEESVSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000771403634 585593686 /nfs/dbraw/zinc/59/36/86/585593686.db2.gz LZCBSXPSPBVWAL-VHSXEESVSA-N 1 2 240.347 1.153 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](CO)C1CC1 ZINC000771804891 585600730 /nfs/dbraw/zinc/60/07/30/585600730.db2.gz SJEVBZBQYVTIFC-VXGBXAGGSA-N 1 2 243.347 1.325 20 0 BDADLO CC(C)(C)c1nc(C[NH2+][C@@H](CO)C2CC2)no1 ZINC000771810432 585600881 /nfs/dbraw/zinc/60/08/81/585600881.db2.gz ZKBSYIGTXMWCCR-VIFPVBQESA-N 1 2 239.319 1.228 20 0 BDADLO O=C(CCc1ccco1)OCCn1cc[nH+]c1 ZINC000771857300 585602637 /nfs/dbraw/zinc/60/26/37/585602637.db2.gz GFWLPLIPGSOHBO-UHFFFAOYSA-N 1 2 234.255 1.652 20 0 BDADLO CC(C)(C)SCC(=O)OCCn1cc[nH+]c1 ZINC000771855836 585602645 /nfs/dbraw/zinc/60/26/45/585602645.db2.gz MTTQFZPFVPAPRA-UHFFFAOYSA-N 1 2 242.344 1.958 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)c(C)n1C ZINC000771860303 585602690 /nfs/dbraw/zinc/60/26/90/585602690.db2.gz XBJPNZCDDYSVAK-UHFFFAOYSA-N 1 2 247.298 1.695 20 0 BDADLO CCc1onc(C)c1C(=O)OCCn1cc[nH+]c1 ZINC000771855385 585602725 /nfs/dbraw/zinc/60/27/25/585602725.db2.gz JCFYPNTWOXCLEY-UHFFFAOYSA-N 1 2 249.270 1.599 20 0 BDADLO CC1(C(=O)OCCn2cc[nH+]c2)CCOCC1 ZINC000771951638 585605651 /nfs/dbraw/zinc/60/56/51/585605651.db2.gz RPQQFVPEWRMVDQ-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO CC(C)n1nccc1C(=O)OCCn1cc[nH+]c1 ZINC000772000628 585606670 /nfs/dbraw/zinc/60/66/70/585606670.db2.gz AXULPKAUEMZTTP-UHFFFAOYSA-N 1 2 248.286 1.518 20 0 BDADLO CS/C=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811758 585624618 /nfs/dbraw/zinc/62/46/18/585624618.db2.gz HJAOXEDPUSQNFQ-WTSVBCDHSA-N 1 2 237.328 1.260 20 0 BDADLO CSC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811758 585624619 /nfs/dbraw/zinc/62/46/19/585624619.db2.gz HJAOXEDPUSQNFQ-WTSVBCDHSA-N 1 2 237.328 1.260 20 0 BDADLO CS/C=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811757 585624733 /nfs/dbraw/zinc/62/47/33/585624733.db2.gz HJAOXEDPUSQNFQ-PULIVWKDSA-N 1 2 237.328 1.260 20 0 BDADLO CSC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811757 585624734 /nfs/dbraw/zinc/62/47/34/585624734.db2.gz HJAOXEDPUSQNFQ-PULIVWKDSA-N 1 2 237.328 1.260 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COC1(C)CCC1 ZINC000773048395 585630263 /nfs/dbraw/zinc/63/02/63/585630263.db2.gz FDWFVJBHNXUWHS-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO c1[nH]nc2c1CCC[C@H]2N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000773063533 585630375 /nfs/dbraw/zinc/63/03/75/585630375.db2.gz CDIFNHOSCXGNMS-WCQYABFASA-N 1 2 246.358 1.613 20 0 BDADLO c1[nH]nc2c1CCC[C@H]2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000773063533 585630376 /nfs/dbraw/zinc/63/03/76/585630376.db2.gz CDIFNHOSCXGNMS-WCQYABFASA-N 1 2 246.358 1.613 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NN1CCCC1 ZINC000773407927 585636439 /nfs/dbraw/zinc/63/64/39/585636439.db2.gz JBAWFRKSMHVYIK-UHFFFAOYSA-N 1 2 244.298 1.004 20 0 BDADLO FC(F)C(F)(F)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000773519128 585639145 /nfs/dbraw/zinc/63/91/45/585639145.db2.gz RSAJFXJPRXTYPD-UHFFFAOYSA-N 1 2 237.200 1.668 20 0 BDADLO FC(F)C(F)(F)C[N@H+]1CCc2n[nH]cc2C1 ZINC000773519128 585639146 /nfs/dbraw/zinc/63/91/46/585639146.db2.gz RSAJFXJPRXTYPD-UHFFFAOYSA-N 1 2 237.200 1.668 20 0 BDADLO C[C@H]1CC/C(=C/C(=O)NCCc2c[nH+]cn2C)C1 ZINC000773829630 585644616 /nfs/dbraw/zinc/64/46/16/585644616.db2.gz HPGPXLINUVOFMA-LCFDYFRESA-N 1 2 247.342 1.825 20 0 BDADLO CC(C)C1(O)C[NH+]([C@H](C)c2ccccn2)C1 ZINC000773893980 585645959 /nfs/dbraw/zinc/64/59/59/585645959.db2.gz QEQVUVMOEMUOAO-LLVKDONJSA-N 1 2 220.316 1.845 20 0 BDADLO CC(=CC(=O)Nc1cc[nH+]cc1N(C)C)C1CC1 ZINC000774084958 585649961 /nfs/dbraw/zinc/64/99/61/585649961.db2.gz JFBITEXBCBLUQM-CSKARUKUSA-N 1 2 245.326 1.864 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000774141130 585651620 /nfs/dbraw/zinc/65/16/20/585651620.db2.gz XEJDCGIGXJJWCB-WDEREUQCSA-N 1 2 222.288 1.755 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)C[C@H](C)[S@@]1=O ZINC000775116382 585672568 /nfs/dbraw/zinc/67/25/68/585672568.db2.gz UNFWZRWNVRGNKT-AZKPJATDSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCC=CO2)C[C@H](C)[S@@]1=O ZINC000775116382 585672569 /nfs/dbraw/zinc/67/25/69/585672569.db2.gz UNFWZRWNVRGNKT-AZKPJATDSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1nccn1C ZINC000775566153 585679947 /nfs/dbraw/zinc/67/99/47/585679947.db2.gz JPHLWLAXQCXIKQ-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1nccn1C ZINC000775566153 585679948 /nfs/dbraw/zinc/67/99/48/585679948.db2.gz JPHLWLAXQCXIKQ-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO Cc1cc(=O)[nH]c(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000775570502 585680229 /nfs/dbraw/zinc/68/02/29/585680229.db2.gz ZRJLDVQRZLYOMM-SNVBAGLBSA-N 1 2 237.303 1.101 20 0 BDADLO Cc1cc(=O)[nH]c(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000775570502 585680230 /nfs/dbraw/zinc/68/02/30/585680230.db2.gz ZRJLDVQRZLYOMM-SNVBAGLBSA-N 1 2 237.303 1.101 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccoc1 ZINC000775981034 585688210 /nfs/dbraw/zinc/68/82/10/585688210.db2.gz MBOWMCYWSVIZHL-WDEREUQCSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccoc1 ZINC000775981034 585688211 /nfs/dbraw/zinc/68/82/11/585688211.db2.gz MBOWMCYWSVIZHL-WDEREUQCSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@H]1CC[C@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000776421539 585698315 /nfs/dbraw/zinc/69/83/15/585698315.db2.gz SUTRWVCAVBLTDG-RYUDHWBXSA-N 1 2 241.331 1.298 20 0 BDADLO O=C(c1cocn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777454140 585712399 /nfs/dbraw/zinc/71/23/99/585712399.db2.gz SRUWPSLMYABVAB-SECBINFHSA-N 1 2 232.243 1.375 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000777966541 585724944 /nfs/dbraw/zinc/72/49/44/585724944.db2.gz NEOWLXNSFKJNIO-VWYCJHECSA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000777966541 585724945 /nfs/dbraw/zinc/72/49/45/585724945.db2.gz NEOWLXNSFKJNIO-VWYCJHECSA-N 1 2 228.311 1.492 20 0 BDADLO O=c1oc2ccccc2n1C[N@H+]1CC=CCC1 ZINC000778576476 585737489 /nfs/dbraw/zinc/73/74/89/585737489.db2.gz HDWBVGAIIOHEQT-UHFFFAOYSA-N 1 2 230.267 1.814 20 0 BDADLO O=c1oc2ccccc2n1C[N@@H+]1CC=CCC1 ZINC000778576476 585737490 /nfs/dbraw/zinc/73/74/90/585737490.db2.gz HDWBVGAIIOHEQT-UHFFFAOYSA-N 1 2 230.267 1.814 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805616124 585740749 /nfs/dbraw/zinc/74/07/49/585740749.db2.gz QSAJJFDZERENNS-SNVBAGLBSA-N 1 2 241.331 1.772 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC=CCC1 ZINC000778992222 585743593 /nfs/dbraw/zinc/74/35/93/585743593.db2.gz GTKUEDZJMOEKBQ-UHFFFAOYSA-N 1 2 227.267 1.736 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1=COCCC1 ZINC000779095177 585745155 /nfs/dbraw/zinc/74/51/55/585745155.db2.gz HJEFUNZIFRYKGO-NSHDSACASA-N 1 2 247.298 1.008 20 0 BDADLO CCN1CC[N@H+](Cc2ccoc2)C(C)(C)C1=O ZINC000779199362 585746958 /nfs/dbraw/zinc/74/69/58/585746958.db2.gz ZEBLNOKERHOTNJ-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CCN1CC[N@@H+](Cc2ccoc2)C(C)(C)C1=O ZINC000779199362 585746959 /nfs/dbraw/zinc/74/69/59/585746959.db2.gz ZEBLNOKERHOTNJ-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CSc1ccc(N[C@@H](C)CCO)[nH+]c1 ZINC000779423012 585753876 /nfs/dbraw/zinc/75/38/76/585753876.db2.gz ZBSJPKHDNVTHRS-QMMMGPOBSA-N 1 2 212.318 1.986 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859261990 589025707 /nfs/dbraw/zinc/02/57/07/589025707.db2.gz SXBQHEDQSVNTAF-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859261990 589025709 /nfs/dbraw/zinc/02/57/09/589025709.db2.gz SXBQHEDQSVNTAF-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO C[NH+](C)[C@H](C(=O)OCCCO)c1ccccc1 ZINC000780090996 585772462 /nfs/dbraw/zinc/77/24/62/585772462.db2.gz WGVYLXIKHBKIIU-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO NC(CCO)=[NH+]OCc1cc2ccccc2o1 ZINC000780125754 585772776 /nfs/dbraw/zinc/77/27/76/585772776.db2.gz RRGJVQXUISCMTE-UHFFFAOYSA-N 1 2 234.255 1.814 20 0 BDADLO CCc1cnccc1C(=O)OCCn1cc[nH+]c1 ZINC000781261375 585793900 /nfs/dbraw/zinc/79/39/00/585793900.db2.gz ZCAHRVPREQIWMM-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@@]1(C(=O)OCCn2cc[nH+]c2)CCCOC1 ZINC000781285494 585794356 /nfs/dbraw/zinc/79/43/56/585794356.db2.gz WCUWNHNMZLPCAZ-GFCCVEGCSA-N 1 2 238.287 1.243 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)c2ccccc2)CCO1 ZINC000782175137 585809943 /nfs/dbraw/zinc/80/99/43/585809943.db2.gz CYSGHSSXDULBQA-LBPRGKRZSA-N 1 2 249.310 1.564 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)c2ccccc2)CCO1 ZINC000782175137 585809944 /nfs/dbraw/zinc/80/99/44/585809944.db2.gz CYSGHSSXDULBQA-LBPRGKRZSA-N 1 2 249.310 1.564 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)Cc1cccs1 ZINC000782329807 585815015 /nfs/dbraw/zinc/81/50/15/585815015.db2.gz SVCIGTINCYYSJY-MRVPVSSYSA-N 1 2 228.317 1.824 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000782338726 585815709 /nfs/dbraw/zinc/81/57/09/585815709.db2.gz YJFYQGCDRKUSHX-VHSXEESVSA-N 1 2 232.324 1.581 20 0 BDADLO CC(C)c1nc(N2CC(=O)N(C)C[C@@H]2C)cc[nH+]1 ZINC000782391412 585816975 /nfs/dbraw/zinc/81/69/75/585816975.db2.gz IYRWOXXBAFJRKZ-JTQLQIEISA-N 1 2 248.330 1.267 20 0 BDADLO Cc1nc(N2C[C@@H]3C[C@]3(CO)C2)c(C)c(C)[nH+]1 ZINC000782404431 585817616 /nfs/dbraw/zinc/81/76/16/585817616.db2.gz UMWBETDHBVEBNU-WCQYABFASA-N 1 2 233.315 1.220 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000782630050 585823323 /nfs/dbraw/zinc/82/33/23/585823323.db2.gz YMRPBBLDEBCBIS-BJDJZHNGSA-N 1 2 243.347 1.826 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000782630050 585823324 /nfs/dbraw/zinc/82/33/24/585823324.db2.gz YMRPBBLDEBCBIS-BJDJZHNGSA-N 1 2 243.347 1.826 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cs1 ZINC000782634117 585823633 /nfs/dbraw/zinc/82/36/33/585823633.db2.gz QNSCTOJHSPRGTC-SKDRFNHKSA-N 1 2 238.356 1.520 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cs1 ZINC000782634117 585823634 /nfs/dbraw/zinc/82/36/34/585823634.db2.gz QNSCTOJHSPRGTC-SKDRFNHKSA-N 1 2 238.356 1.520 20 0 BDADLO CC(C)SCC(=O)OCCCn1cc[nH+]c1 ZINC000782693623 585824028 /nfs/dbraw/zinc/82/40/28/585824028.db2.gz CQVWSLKSTDGAKN-UHFFFAOYSA-N 1 2 242.344 1.958 20 0 BDADLO CS/C=C/C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782726309 585824184 /nfs/dbraw/zinc/82/41/84/585824184.db2.gz ITLFBKBYVUZPDH-ZZXKWVIFSA-N 1 2 237.328 1.410 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cnccc1C ZINC000783002353 585826874 /nfs/dbraw/zinc/82/68/74/585826874.db2.gz RNVDZOZVJBLGAI-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783147118 585828539 /nfs/dbraw/zinc/82/85/39/585828539.db2.gz FACZUYGPHHQEER-VIFPVBQESA-N 1 2 240.278 1.902 20 0 BDADLO CO[C@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000783337663 585833994 /nfs/dbraw/zinc/83/39/94/585833994.db2.gz PEQRVCFPOQWDFJ-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO Cc1ncccc1C(=O)OCCCn1cc[nH+]c1 ZINC000783577807 585837081 /nfs/dbraw/zinc/83/70/81/585837081.db2.gz SWWDHSVTNMCAQU-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cccs1 ZINC000783734028 585841046 /nfs/dbraw/zinc/84/10/46/585841046.db2.gz QFMFRJOFOIHPIO-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cccs1 ZINC000783734028 585841047 /nfs/dbraw/zinc/84/10/47/585841047.db2.gz QFMFRJOFOIHPIO-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO Cc1ncsc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783732026 585841123 /nfs/dbraw/zinc/84/11/23/585841123.db2.gz AFGMTTAJRJDFOH-QMMMGPOBSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000783732026 585841124 /nfs/dbraw/zinc/84/11/24/585841124.db2.gz AFGMTTAJRJDFOH-QMMMGPOBSA-N 1 2 239.344 1.114 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1CC=CC1 ZINC000783785561 585843240 /nfs/dbraw/zinc/84/32/40/585843240.db2.gz SKRSGZZIEVKWDT-UHFFFAOYSA-N 1 2 220.272 1.783 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cc[nH]c(=O)c1 ZINC000784234516 585853007 /nfs/dbraw/zinc/85/30/07/585853007.db2.gz NYVTZYQUQJOFML-UHFFFAOYSA-N 1 2 247.254 1.231 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000784400256 585858886 /nfs/dbraw/zinc/85/88/86/585858886.db2.gz VYYQPXFCGASVRT-SECBINFHSA-N 1 2 213.256 1.063 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000784495904 585861380 /nfs/dbraw/zinc/86/13/80/585861380.db2.gz WCAQDUQPWFXXNQ-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000784524851 585862126 /nfs/dbraw/zinc/86/21/26/585862126.db2.gz HIAIZUVIUTWDNT-GXSJLCMTSA-N 1 2 239.294 1.308 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1nccs1 ZINC000785016764 585869669 /nfs/dbraw/zinc/86/96/69/585869669.db2.gz CJDLEAGTKOYWMG-UHFFFAOYSA-N 1 2 237.284 1.587 20 0 BDADLO CC[C@H](NC(=O)C(=O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785422005 585873209 /nfs/dbraw/zinc/87/32/09/585873209.db2.gz YJCLSXRLMVOWPW-QMMMGPOBSA-N 1 2 237.303 1.592 20 0 BDADLO CCCC(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785729406 585878976 /nfs/dbraw/zinc/87/89/76/585878976.db2.gz JGAXWVYLKXFPHW-GHMZBOCLSA-N 1 2 241.331 1.772 20 0 BDADLO Cc1cc(CC(=O)OCCCn2cc[nH+]c2)no1 ZINC000785958716 585884399 /nfs/dbraw/zinc/88/43/99/585884399.db2.gz CTNPWDMUENDSKW-UHFFFAOYSA-N 1 2 249.270 1.356 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)c(C)nn1 ZINC000786019726 585885565 /nfs/dbraw/zinc/88/55/65/585885565.db2.gz JNXRQWIFESVVOU-UHFFFAOYSA-N 1 2 246.270 1.147 20 0 BDADLO CSc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC000786558952 585895123 /nfs/dbraw/zinc/89/51/23/585895123.db2.gz CGRYJWNBTRYZFC-UHFFFAOYSA-N 1 2 249.343 1.897 20 0 BDADLO Cc1cc(N2CC(O)(C(C)C)C2)nc(C2CC2)[nH+]1 ZINC000786803380 585897457 /nfs/dbraw/zinc/89/74/57/585897457.db2.gz KZJUKQOVWODVLI-UHFFFAOYSA-N 1 2 247.342 1.870 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)C(F)F)c1C ZINC000787270854 585904095 /nfs/dbraw/zinc/90/40/95/585904095.db2.gz GRDCDIMXPVMROJ-UHFFFAOYSA-N 1 2 244.241 1.588 20 0 BDADLO Clc1ccc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000788469164 585925310 /nfs/dbraw/zinc/92/53/10/585925310.db2.gz ODDXWPNKOFCCBX-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1ccc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000788469164 585925311 /nfs/dbraw/zinc/92/53/11/585925311.db2.gz ODDXWPNKOFCCBX-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CN(Cc1cnn2ccccc12)Cc1[nH]cc[nH+]1 ZINC000788832563 585931212 /nfs/dbraw/zinc/93/12/12/585931212.db2.gz QQYHAIOVJPDVBN-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO CCSCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789608945 585946274 /nfs/dbraw/zinc/94/62/74/585946274.db2.gz HFRNJNTURMLINO-MRVPVSSYSA-N 1 2 218.322 1.417 20 0 BDADLO CCc1cnc(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000789611320 585946703 /nfs/dbraw/zinc/94/67/03/585946703.db2.gz RBCDGCSGWKGPPA-SECBINFHSA-N 1 2 239.275 1.414 20 0 BDADLO Cc1noc([C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000789628495 585947340 /nfs/dbraw/zinc/94/73/40/585947340.db2.gz XVPWMHPLPJIISG-SVRRBLITSA-N 1 2 240.263 1.116 20 0 BDADLO NC(=[NH+]OCCOCC1CC1)[C@H]1CCCO1 ZINC000789628394 585947382 /nfs/dbraw/zinc/94/73/82/585947382.db2.gz VWCWUOGTQCJGIR-SNVBAGLBSA-N 1 2 228.292 1.090 20 0 BDADLO CN(C)c1cccc(C[NH2+]Cc2cn(C)cn2)n1 ZINC000808400847 585948621 /nfs/dbraw/zinc/94/86/21/585948621.db2.gz YOXUGBVRCTVQJM-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO CC=C(CC)C(=O)Nc1cc[nH+]cc1O ZINC000789830815 585951292 /nfs/dbraw/zinc/95/12/92/585951292.db2.gz GJWPEYXIXSMLEC-BAQGIRSFSA-N 1 2 206.245 1.504 20 0 BDADLO C=CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000791310075 585976657 /nfs/dbraw/zinc/97/66/57/585976657.db2.gz SGCQYOCHSFKYNG-UHFFFAOYSA-N 1 2 215.256 1.179 20 0 BDADLO COC/C=C/C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000791342063 585978184 /nfs/dbraw/zinc/97/81/84/585978184.db2.gz VUTKFMLKAACGCJ-NSCUHMNNSA-N 1 2 249.314 1.249 20 0 BDADLO CC[C@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000791501977 585982557 /nfs/dbraw/zinc/98/25/57/585982557.db2.gz FKGXJEDPMLKGHW-JTQLQIEISA-N 1 2 210.277 1.863 20 0 BDADLO CC[C@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000791817314 585988867 /nfs/dbraw/zinc/98/88/67/585988867.db2.gz BSPITGSSDSDICE-VIFPVBQESA-N 1 2 210.277 1.900 20 0 BDADLO Cc1nc(C)c(C(=O)OCc2cc[nH+]c(N)c2)o1 ZINC000791979526 585992666 /nfs/dbraw/zinc/99/26/66/585992666.db2.gz ZRWLAUHAQGSAPI-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO CCC[C@@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792040968 585994483 /nfs/dbraw/zinc/99/44/83/585994483.db2.gz NGCPPPQEHKTKRQ-GFCCVEGCSA-N 1 2 238.287 1.258 20 0 BDADLO COCC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792071767 585995483 /nfs/dbraw/zinc/99/54/83/585995483.db2.gz WZWGYLXTNARBQC-UHFFFAOYSA-N 1 2 238.287 1.380 20 0 BDADLO C[C@H](O)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000792116841 585996133 /nfs/dbraw/zinc/99/61/33/585996133.db2.gz FPRONUVSFQPBPO-CMPLNLGQSA-N 1 2 237.299 1.213 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)cnn1 ZINC000792168480 585996860 /nfs/dbraw/zinc/99/68/60/585996860.db2.gz FKWZTDOCHKXCTE-UHFFFAOYSA-N 1 2 244.254 1.119 20 0 BDADLO CO[C@H](C(=O)OCc1cc[nH+]c(N)c1)C1CC1 ZINC000792271034 585998760 /nfs/dbraw/zinc/99/87/60/585998760.db2.gz GFQJSBKTLRANAX-NSHDSACASA-N 1 2 236.271 1.132 20 0 BDADLO [O-]C1=C[NH+]=C(NNc2cccc(Cl)[nH+]2)C1 ZINC000793162200 586012461 /nfs/dbraw/zinc/01/24/61/586012461.db2.gz SBLBIQHZOAWYDT-UHFFFAOYSA-N 1 2 224.651 1.506 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C(C1CC1)C1CC1 ZINC000793252229 586014927 /nfs/dbraw/zinc/01/49/27/586014927.db2.gz ZKJFYVLPEDTSAN-UHFFFAOYSA-N 1 2 248.326 1.942 20 0 BDADLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)nc1 ZINC000793251162 586014947 /nfs/dbraw/zinc/01/49/47/586014947.db2.gz QSZMVIIRIDSICA-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO CC[C@@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000793252212 586014960 /nfs/dbraw/zinc/01/49/60/586014960.db2.gz YPZUSWCPSSLCEA-SNVBAGLBSA-N 1 2 224.304 1.942 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1nccs1 ZINC000793251397 586015126 /nfs/dbraw/zinc/01/51/26/586015126.db2.gz QZFATQSHTBDMGV-UHFFFAOYSA-N 1 2 237.284 1.276 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CC1CCC1 ZINC000793257124 586015235 /nfs/dbraw/zinc/01/52/35/586015235.db2.gz UOBGRSCGULBUFH-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO CCC/C=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000793515476 586021388 /nfs/dbraw/zinc/02/13/88/586021388.db2.gz JWDRULMWPLSFTL-SNAWJCMRSA-N 1 2 219.288 1.582 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000794576708 586044833 /nfs/dbraw/zinc/04/48/33/586044833.db2.gz MHALJLGVIBKLDV-SDDRHHMPSA-N 1 2 243.347 1.469 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000794576706 586044872 /nfs/dbraw/zinc/04/48/72/586044872.db2.gz MHALJLGVIBKLDV-QJPTWQEYSA-N 1 2 243.347 1.469 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]2C[C@@H]21 ZINC000794794633 586049208 /nfs/dbraw/zinc/04/92/08/586049208.db2.gz KRRJZNWSMIMBIK-NEPJUHHUSA-N 1 2 248.330 1.467 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1F)c1cnccn1 ZINC000794832035 586049835 /nfs/dbraw/zinc/04/98/35/586049835.db2.gz BSQAYFGKOXYLNS-SECBINFHSA-N 1 2 232.262 1.862 20 0 BDADLO Cc1cnc(CN2CCc3[nH+]c[nH]c3C2)s1 ZINC000859308387 589029886 /nfs/dbraw/zinc/02/98/86/589029886.db2.gz SSKQOZBGPUHZIP-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1ncccc1C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795683253 586091160 /nfs/dbraw/zinc/09/11/60/586091160.db2.gz CXIJHESDLKAMSV-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ncccc1C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795683253 586091161 /nfs/dbraw/zinc/09/11/61/586091161.db2.gz CXIJHESDLKAMSV-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO C[N@H+](CCOCC1CC1)[C@@H]1CC(C)(C)OC1=O ZINC000795711906 586091518 /nfs/dbraw/zinc/09/15/18/586091518.db2.gz XLWNNLQQSJQAQW-LLVKDONJSA-N 1 2 241.331 1.439 20 0 BDADLO C[N@@H+](CCOCC1CC1)[C@@H]1CC(C)(C)OC1=O ZINC000795711906 586091519 /nfs/dbraw/zinc/09/15/19/586091519.db2.gz XLWNNLQQSJQAQW-LLVKDONJSA-N 1 2 241.331 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCOC1 ZINC000796199228 586098807 /nfs/dbraw/zinc/09/88/07/586098807.db2.gz BFLSDFHORUSYQX-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCOC1 ZINC000796199228 586098808 /nfs/dbraw/zinc/09/88/08/586098808.db2.gz BFLSDFHORUSYQX-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)OCC(C)C)C1 ZINC000796217705 586099072 /nfs/dbraw/zinc/09/90/72/586099072.db2.gz ODTFEWPFKUBLPL-PHIMTYICSA-N 1 2 229.320 1.295 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)OCC(C)C)C1 ZINC000796217705 586099073 /nfs/dbraw/zinc/09/90/73/586099073.db2.gz ODTFEWPFKUBLPL-PHIMTYICSA-N 1 2 229.320 1.295 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@]1(CCC)CCOC1 ZINC000796440345 586103236 /nfs/dbraw/zinc/10/32/36/586103236.db2.gz FHZBLAORQALGNI-AAEUAGOBSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000796504049 586105470 /nfs/dbraw/zinc/10/54/70/586105470.db2.gz BJDZMWQBXMXHFU-LLVKDONJSA-N 1 2 220.272 1.137 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@@H]1CCOC1=O ZINC000796504049 586105471 /nfs/dbraw/zinc/10/54/71/586105471.db2.gz BJDZMWQBXMXHFU-LLVKDONJSA-N 1 2 220.272 1.137 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@H]1CCOC1=O ZINC000796504051 586105624 /nfs/dbraw/zinc/10/56/24/586105624.db2.gz BJDZMWQBXMXHFU-NSHDSACASA-N 1 2 220.272 1.137 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@H]1CCOC1=O ZINC000796504051 586105625 /nfs/dbraw/zinc/10/56/25/586105625.db2.gz BJDZMWQBXMXHFU-NSHDSACASA-N 1 2 220.272 1.137 20 0 BDADLO O=C(CC[N@H+]1CCOC[C@@H]1CC(F)F)C1CC1 ZINC000796585551 586107922 /nfs/dbraw/zinc/10/79/22/586107922.db2.gz XFPZZBZRVQLXOX-JTQLQIEISA-N 1 2 247.285 1.712 20 0 BDADLO O=C(CC[N@@H+]1CCOC[C@@H]1CC(F)F)C1CC1 ZINC000796585551 586107923 /nfs/dbraw/zinc/10/79/23/586107923.db2.gz XFPZZBZRVQLXOX-JTQLQIEISA-N 1 2 247.285 1.712 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1occ2c1CCOC2 ZINC000796584718 586107959 /nfs/dbraw/zinc/10/79/59/586107959.db2.gz DUDJJMGXBYDZAM-UHFFFAOYSA-N 1 2 247.254 1.005 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1occ2c1CCOC2 ZINC000796584718 586107960 /nfs/dbraw/zinc/10/79/60/586107960.db2.gz DUDJJMGXBYDZAM-UHFFFAOYSA-N 1 2 247.254 1.005 20 0 BDADLO O[C@H](C[NH2+][C@H]1CCCc2[nH]ncc21)c1ccco1 ZINC000796684312 586109938 /nfs/dbraw/zinc/10/99/38/586109938.db2.gz SLOJDGAEAKXSKU-CMPLNLGQSA-N 1 2 247.298 1.703 20 0 BDADLO O=C(C[C@@H]1CCC(F)(F)C1)NCc1[nH]cc[nH+]1 ZINC000797871862 586133485 /nfs/dbraw/zinc/13/34/85/586133485.db2.gz CNKZEAIEOAHVFO-QMMMGPOBSA-N 1 2 243.257 1.851 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)C1CC1)[NH+](C)C ZINC000798839590 586151005 /nfs/dbraw/zinc/15/10/05/586151005.db2.gz ZIMBDVONBOBRIE-NSHDSACASA-N 1 2 227.304 1.095 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965355 586154400 /nfs/dbraw/zinc/15/44/00/586154400.db2.gz ZXPMVAIPTIHDRD-LLVKDONJSA-N 1 2 234.299 1.434 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965355 586154401 /nfs/dbraw/zinc/15/44/01/586154401.db2.gz ZXPMVAIPTIHDRD-LLVKDONJSA-N 1 2 234.299 1.434 20 0 BDADLO CON1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000859326300 589031552 /nfs/dbraw/zinc/03/15/52/589031552.db2.gz KBFUBERRGAFSTH-UHFFFAOYSA-N 1 2 238.306 1.813 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)c1ccc(F)cn1 ZINC000799305800 586170289 /nfs/dbraw/zinc/17/02/89/586170289.db2.gz AVFUOFBYSZHHSO-SNVBAGLBSA-N 1 2 207.208 1.151 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc(C2CC2)no1 ZINC000799580061 586185657 /nfs/dbraw/zinc/18/56/57/586185657.db2.gz NAEUVVLYAQWVIE-UHFFFAOYSA-N 1 2 247.254 1.606 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@]23CCOC3)co1 ZINC000799737345 586195803 /nfs/dbraw/zinc/19/58/03/586195803.db2.gz BIHFCIGRCLZDOL-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@]23CCOC3)co1 ZINC000799737345 586195804 /nfs/dbraw/zinc/19/58/04/586195804.db2.gz BIHFCIGRCLZDOL-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000799887016 586201104 /nfs/dbraw/zinc/20/11/04/586201104.db2.gz JZTMRCJHIAXMQQ-SNVBAGLBSA-N 1 2 238.287 1.114 20 0 BDADLO FC(F)[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000801559758 586262393 /nfs/dbraw/zinc/26/23/93/586262393.db2.gz LNZIHELTOTWOFI-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000801559758 586262394 /nfs/dbraw/zinc/26/23/94/586262394.db2.gz LNZIHELTOTWOFI-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO CCSCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801563707 586263639 /nfs/dbraw/zinc/26/36/39/586263639.db2.gz RYKWRNHLZIUMDE-QMMMGPOBSA-N 1 2 225.304 1.705 20 0 BDADLO CCSCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801563707 586263643 /nfs/dbraw/zinc/26/36/43/586263643.db2.gz RYKWRNHLZIUMDE-QMMMGPOBSA-N 1 2 225.304 1.705 20 0 BDADLO CC1(C)OC[C@@H](C[N@@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477546 589040204 /nfs/dbraw/zinc/04/02/04/589040204.db2.gz DPWOXHUYXOQSOU-CYBMUJFWSA-N 1 2 249.310 1.859 20 0 BDADLO CC1(C)OC[C@@H](C[N@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477546 589040206 /nfs/dbraw/zinc/04/02/06/589040206.db2.gz DPWOXHUYXOQSOU-CYBMUJFWSA-N 1 2 249.310 1.859 20 0 BDADLO CSC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC000802230767 586297558 /nfs/dbraw/zinc/29/75/58/586297558.db2.gz OTVIFDUXSHCUII-SECBINFHSA-N 1 2 247.335 1.469 20 0 BDADLO CSC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802230767 586297560 /nfs/dbraw/zinc/29/75/60/586297560.db2.gz OTVIFDUXSHCUII-SECBINFHSA-N 1 2 247.335 1.469 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cscn1 ZINC000802237995 586298171 /nfs/dbraw/zinc/29/81/71/586298171.db2.gz LBASDQAIXAXNGZ-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cscn1 ZINC000802237995 586298173 /nfs/dbraw/zinc/29/81/73/586298173.db2.gz LBASDQAIXAXNGZ-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO Cn1cccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802243125 586298535 /nfs/dbraw/zinc/29/85/35/586298535.db2.gz YLHUPKDNHBPOPH-JTQLQIEISA-N 1 2 240.278 1.226 20 0 BDADLO Cn1cccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802243125 586298538 /nfs/dbraw/zinc/29/85/38/586298538.db2.gz YLHUPKDNHBPOPH-JTQLQIEISA-N 1 2 240.278 1.226 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000802660338 586309486 /nfs/dbraw/zinc/30/94/86/586309486.db2.gz IUKNMRGPDRCBPX-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000802660338 586309489 /nfs/dbraw/zinc/30/94/89/586309489.db2.gz IUKNMRGPDRCBPX-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@@H]2CC2(C)C)C1 ZINC000802772534 586313113 /nfs/dbraw/zinc/31/31/13/586313113.db2.gz OTDJXGIWYQRSPE-NSHDSACASA-N 1 2 241.331 1.296 20 0 BDADLO CC[C@H](OC)C(=O)OCCCc1[nH+]ccn1C ZINC000802787239 586314003 /nfs/dbraw/zinc/31/40/03/586314003.db2.gz CQPFPMZAVITMOK-JTQLQIEISA-N 1 2 240.303 1.321 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859585253 589047670 /nfs/dbraw/zinc/04/76/70/589047670.db2.gz MFUQWAXKQVAKOD-CQSZACIVSA-N 1 2 249.310 1.143 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859585253 589047672 /nfs/dbraw/zinc/04/76/72/589047672.db2.gz MFUQWAXKQVAKOD-CQSZACIVSA-N 1 2 249.310 1.143 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+](C)Cc2cccn2C)C[C@H]1C ZINC000840024341 586383989 /nfs/dbraw/zinc/38/39/89/586383989.db2.gz FEBOTTSTLQSGCL-VXGBXAGGSA-N 1 2 249.358 1.529 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+](C)Cc2cccn2C)C[C@H]1C ZINC000840024341 586383992 /nfs/dbraw/zinc/38/39/92/586383992.db2.gz FEBOTTSTLQSGCL-VXGBXAGGSA-N 1 2 249.358 1.529 20 0 BDADLO C[C@@H]1OCC[N@H+](CN2CCC(C)(C)C2=O)[C@H]1C ZINC000840030575 586385208 /nfs/dbraw/zinc/38/52/08/586385208.db2.gz YLXAJQYQSVZBKL-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1OCC[N@@H+](CN2CCC(C)(C)C2=O)[C@H]1C ZINC000840030575 586385210 /nfs/dbraw/zinc/38/52/10/586385210.db2.gz YLXAJQYQSVZBKL-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804333916 586391146 /nfs/dbraw/zinc/39/11/46/586391146.db2.gz SKASQOSEDBMMHR-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cccc2[nH+]c(Cn3cnc(Cl)n3)cn21 ZINC000806578450 586414384 /nfs/dbraw/zinc/41/43/84/586414384.db2.gz GUYPYVHFJSEGHM-UHFFFAOYSA-N 1 2 247.689 1.936 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000806725794 586417066 /nfs/dbraw/zinc/41/70/66/586417066.db2.gz UYQUCCGHLGRHOR-ZJUUUORDSA-N 1 2 234.303 1.114 20 0 BDADLO CC[NH2+]Cc1noc(CCn2nc(C)cc2C)n1 ZINC000843145666 586445808 /nfs/dbraw/zinc/44/58/08/586445808.db2.gz RIBDCQDPZBJGMO-UHFFFAOYSA-N 1 2 249.318 1.235 20 0 BDADLO F[C@H]1CC[N@H+](CN2CCSC2=S)C1 ZINC000840104004 586447253 /nfs/dbraw/zinc/44/72/53/586447253.db2.gz QHVLZEWDBXFQCG-ZETCQYMHSA-N 1 2 220.338 1.321 20 0 BDADLO F[C@H]1CC[N@@H+](CN2CCSC2=S)C1 ZINC000840104004 586447254 /nfs/dbraw/zinc/44/72/54/586447254.db2.gz QHVLZEWDBXFQCG-ZETCQYMHSA-N 1 2 220.338 1.321 20 0 BDADLO O=C1[C@H]2CCCCC[C@H]2N1C[N@H+]1CC[C@@H](F)C1 ZINC000840115104 586449101 /nfs/dbraw/zinc/44/91/01/586449101.db2.gz RWMQCSNCTJGAIB-GRYCIOLGSA-N 1 2 240.322 1.779 20 0 BDADLO O=C1[C@H]2CCCCC[C@H]2N1C[N@@H+]1CC[C@@H](F)C1 ZINC000840115104 586449102 /nfs/dbraw/zinc/44/91/02/586449102.db2.gz RWMQCSNCTJGAIB-GRYCIOLGSA-N 1 2 240.322 1.779 20 0 BDADLO CN(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000757564958 586461078 /nfs/dbraw/zinc/46/10/78/586461078.db2.gz HPHZJSRJTSNWOW-UHFFFAOYSA-N 1 2 202.261 1.901 20 0 BDADLO C[C@H]1OCC[N@H+](CN2C(=O)CCC2(C)C)[C@H]1C ZINC000808172202 586466226 /nfs/dbraw/zinc/46/62/26/586466226.db2.gz QTRYKAMMFMYLIB-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2C(=O)CCC2(C)C)[C@H]1C ZINC000808172202 586466227 /nfs/dbraw/zinc/46/62/27/586466227.db2.gz QTRYKAMMFMYLIB-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO CC(C)=CCO[NH+]=C(N)COC(C)C ZINC000808254452 586469075 /nfs/dbraw/zinc/46/90/75/586469075.db2.gz IDQNJYPUMZUZGZ-UHFFFAOYSA-N 1 2 200.282 1.876 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc3occc3c2)n1 ZINC000808417011 586471545 /nfs/dbraw/zinc/47/15/45/586471545.db2.gz VHBVJSXMOYNWKR-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCC=C(C)C)C1 ZINC000808521797 586477213 /nfs/dbraw/zinc/47/72/13/586477213.db2.gz DZQWXAUNWIITAH-NSHDSACASA-N 1 2 227.304 1.217 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCC=C(C)C)C1 ZINC000808521797 586477215 /nfs/dbraw/zinc/47/72/15/586477215.db2.gz DZQWXAUNWIITAH-NSHDSACASA-N 1 2 227.304 1.217 20 0 BDADLO COc1cncc(C[NH+]2CC(O)(C(C)C)C2)c1 ZINC000808754515 586489178 /nfs/dbraw/zinc/48/91/78/586489178.db2.gz SCDNQRXXEUNGMK-UHFFFAOYSA-N 1 2 236.315 1.293 20 0 BDADLO CCn1cc[nH+]c1CN1Cc2ccncc2C1 ZINC000809565233 586507124 /nfs/dbraw/zinc/50/71/24/586507124.db2.gz YTBUFGBNKCBCIN-UHFFFAOYSA-N 1 2 228.299 1.814 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccnn1C(C)C ZINC000809743797 586516483 /nfs/dbraw/zinc/51/64/83/586516483.db2.gz GBSYHSHLCZPBQH-UHFFFAOYSA-N 1 2 235.291 1.445 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000809744007 586516599 /nfs/dbraw/zinc/51/65/99/586516599.db2.gz QDZNWTDNQKRBFK-UHFFFAOYSA-N 1 2 239.225 1.946 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H](C)S1 ZINC000809949580 586525621 /nfs/dbraw/zinc/52/56/21/586525621.db2.gz SOCOCOFULYZMGF-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H](C)S1 ZINC000809949580 586525623 /nfs/dbraw/zinc/52/56/23/586525623.db2.gz SOCOCOFULYZMGF-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO Cn1ncc(C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000809950008 586526063 /nfs/dbraw/zinc/52/60/63/586526063.db2.gz BIEBDKOQSPRNQM-UHFFFAOYSA-N 1 2 248.252 1.589 20 0 BDADLO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CCC1(F)F ZINC000810046380 586532771 /nfs/dbraw/zinc/53/27/71/586532771.db2.gz RIPWVXCXPAGMGT-MRVPVSSYSA-N 1 2 241.303 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CCC1(F)F ZINC000810046380 586532773 /nfs/dbraw/zinc/53/27/73/586532773.db2.gz RIPWVXCXPAGMGT-MRVPVSSYSA-N 1 2 241.303 1.008 20 0 BDADLO C[C@]1([NH2+]C[C@@H](O)C2CCCCC2)CCOC1=O ZINC000810100014 586534137 /nfs/dbraw/zinc/53/41/37/586534137.db2.gz ZSQCFDOKXJRAQK-YPMHNXCESA-N 1 2 241.331 1.223 20 0 BDADLO Cc1cc(NC(=O)NOC/C=C/Cl)cc[nH+]1 ZINC000810201034 586536739 /nfs/dbraw/zinc/53/67/39/586536739.db2.gz VEBBLVMMZBJHPC-DUXPYHPUSA-N 1 2 241.678 1.618 20 0 BDADLO C[N@H+](CCNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC000810199890 586536822 /nfs/dbraw/zinc/53/68/22/586536822.db2.gz DOTHRSZCSYSQPL-SSDOTTSWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+](CCNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC000810199890 586536824 /nfs/dbraw/zinc/53/68/24/586536824.db2.gz DOTHRSZCSYSQPL-SSDOTTSWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+](CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC000810199890 586536826 /nfs/dbraw/zinc/53/68/26/586536826.db2.gz DOTHRSZCSYSQPL-SSDOTTSWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+](CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC000810199890 586536827 /nfs/dbraw/zinc/53/68/27/586536827.db2.gz DOTHRSZCSYSQPL-SSDOTTSWSA-N 1 2 242.216 1.097 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(F)CCCCC1 ZINC000810377885 586538682 /nfs/dbraw/zinc/53/86/82/586538682.db2.gz HRQOUVPMJPBAJZ-UHFFFAOYSA-N 1 2 239.294 1.741 20 0 BDADLO Clc1cnn(CN2CCn3c[nH+]cc3C2)c1 ZINC000811788172 586566679 /nfs/dbraw/zinc/56/66/79/586566679.db2.gz CEJLYLYRSYVDEX-UHFFFAOYSA-N 1 2 237.694 1.206 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC1CCC1 ZINC000811892633 586568406 /nfs/dbraw/zinc/56/84/06/586568406.db2.gz BLLJHRDXMSTCNN-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO CS/C=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000811934036 586568737 /nfs/dbraw/zinc/56/87/37/586568737.db2.gz QDJPVPAGRYAHRE-DJWKRKHSSA-N 1 2 223.301 1.102 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOC/C=C/Cl ZINC000812400484 586575718 /nfs/dbraw/zinc/57/57/18/586575718.db2.gz MYHPDUYYTMDDNX-DUXPYHPUSA-N 1 2 243.694 1.464 20 0 BDADLO O=C(CCCC1CC1)OCC[NH+]1CCOCC1 ZINC000812601833 586580140 /nfs/dbraw/zinc/58/01/40/586580140.db2.gz HCJBNUSTAVMMNP-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CO[C@H]1CCCC[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000814800181 586635453 /nfs/dbraw/zinc/63/54/53/586635453.db2.gz MOBQRBBSLWUOAQ-IUCAKERBSA-N 1 2 242.344 1.411 20 0 BDADLO COc1ccc2nc(C[N@@H+]3C[C@@H](C)[C@@H]3C)[nH]c2n1 ZINC000815163475 586671692 /nfs/dbraw/zinc/67/16/92/586671692.db2.gz OQUJQPIVRLFJGO-BDAKNGLRSA-N 1 2 246.314 1.807 20 0 BDADLO COc1ccc2nc(C[N@H+]3C[C@@H](C)[C@@H]3C)[nH]c2n1 ZINC000815163475 586671693 /nfs/dbraw/zinc/67/16/93/586671693.db2.gz OQUJQPIVRLFJGO-BDAKNGLRSA-N 1 2 246.314 1.807 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cnn(C)c1Cl ZINC000816513786 586738161 /nfs/dbraw/zinc/73/81/61/586738161.db2.gz BNURKVPYWQORKU-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cnn(C)c1Cl ZINC000816513786 586738164 /nfs/dbraw/zinc/73/81/64/586738164.db2.gz BNURKVPYWQORKU-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cnn(C)c1Cl ZINC000816609812 586744033 /nfs/dbraw/zinc/74/40/33/586744033.db2.gz NJEBNFVKYCPYTR-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816609812 586744034 /nfs/dbraw/zinc/74/40/34/586744034.db2.gz NJEBNFVKYCPYTR-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1Cl ZINC000816637007 586746428 /nfs/dbraw/zinc/74/64/28/586746428.db2.gz OGWYTGOHTKTDCF-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnn(C)c1Cl ZINC000816637007 586746430 /nfs/dbraw/zinc/74/64/30/586746430.db2.gz OGWYTGOHTKTDCF-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(Cl)cnn2C)[C@H]1C ZINC000816649358 586752541 /nfs/dbraw/zinc/75/25/41/586752541.db2.gz XVXDGUGSVVDQKR-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(Cl)cnn2C)[C@H]1C ZINC000816649358 586752544 /nfs/dbraw/zinc/75/25/44/586752544.db2.gz XVXDGUGSVVDQKR-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO O=C(C=Cc1ccc[nH]1)N1CCc2[nH]c[nH+]c2C1 ZINC000816652444 586752816 /nfs/dbraw/zinc/75/28/16/586752816.db2.gz KETWVWKYRYQDDD-ONEGZZNKSA-N 1 2 242.282 1.336 20 0 BDADLO O=C(C=Cc1ccc[nH]1)N1CCc2[nH+]c[nH]c2C1 ZINC000816652444 586752817 /nfs/dbraw/zinc/75/28/17/586752817.db2.gz KETWVWKYRYQDDD-ONEGZZNKSA-N 1 2 242.282 1.336 20 0 BDADLO C=C=CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000816697478 586757570 /nfs/dbraw/zinc/75/75/70/586757570.db2.gz FQZXXECNQAJANQ-UHFFFAOYSA-N 1 2 244.285 1.421 20 0 BDADLO C=C=CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000816699034 586758147 /nfs/dbraw/zinc/75/81/47/586758147.db2.gz VUIASHRMGQXRMM-UHFFFAOYSA-N 1 2 240.266 1.338 20 0 BDADLO C[C@@H](NC(=O)Cc1ccc(F)cn1)c1[nH]cc[nH+]1 ZINC000816719401 586759743 /nfs/dbraw/zinc/75/97/43/586759743.db2.gz YVBRMFDUMYAHMY-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO COc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816809534 586765345 /nfs/dbraw/zinc/76/53/45/586765345.db2.gz ANKSHILIGAPIOW-UHFFFAOYSA-N 1 2 231.255 1.600 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816812619 586765432 /nfs/dbraw/zinc/76/54/32/586765432.db2.gz VGFNCPVELMZFIV-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000816809670 586765706 /nfs/dbraw/zinc/76/57/06/586765706.db2.gz GVRRIBSEABNCAX-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CCONC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816831257 586766985 /nfs/dbraw/zinc/76/69/85/586766985.db2.gz MALPLMGRJHSLRX-ZDUSSCGKSA-N 1 2 248.326 1.576 20 0 BDADLO CCONC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816831257 586766986 /nfs/dbraw/zinc/76/69/86/586766986.db2.gz MALPLMGRJHSLRX-ZDUSSCGKSA-N 1 2 248.326 1.576 20 0 BDADLO CONC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000816846217 586768405 /nfs/dbraw/zinc/76/84/05/586768405.db2.gz SBJKLFSBZMMWFF-LLVKDONJSA-N 1 2 245.282 1.609 20 0 BDADLO CC[C@]1(C)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816939723 586772990 /nfs/dbraw/zinc/77/29/90/586772990.db2.gz MAHUWBDLMRCJBE-CYBMUJFWSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(F)ncc1F ZINC000817414975 586802854 /nfs/dbraw/zinc/80/28/54/586802854.db2.gz PUQXXQPKOFFCRK-PSASIEDQSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(F)ncc1F ZINC000817414975 586802856 /nfs/dbraw/zinc/80/28/56/586802856.db2.gz PUQXXQPKOFFCRK-PSASIEDQSA-N 1 2 242.269 1.705 20 0 BDADLO CCc1cc(NCc2[nH+]ccn2CC)nn1C ZINC000817708802 586818632 /nfs/dbraw/zinc/81/86/32/586818632.db2.gz ISWGGAPTMYFTAC-UHFFFAOYSA-N 1 2 233.319 1.811 20 0 BDADLO CCO[C@@H](C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000859865689 589067929 /nfs/dbraw/zinc/06/79/29/589067929.db2.gz QNVDEQGJEDMNKT-LLVKDONJSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H]3C[C@H]2CS3)[nH+]1 ZINC000840350442 586831422 /nfs/dbraw/zinc/83/14/22/586831422.db2.gz IKRGYSDQOJVSOC-IUCAKERBSA-N 1 2 246.339 1.960 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CCF)C2)n(C)n1 ZINC000859908859 589070203 /nfs/dbraw/zinc/07/02/03/589070203.db2.gz QIVCJXFZQSRCMD-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CCF)C2)n(C)n1 ZINC000859908859 589070205 /nfs/dbraw/zinc/07/02/05/589070205.db2.gz QIVCJXFZQSRCMD-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO CO[C@H](CO[NH+]=C(N)COC(C)C)C1CC1 ZINC000818076867 586869758 /nfs/dbraw/zinc/86/97/58/586869758.db2.gz MQKKFGRFNWFUFC-SNVBAGLBSA-N 1 2 230.308 1.335 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccco2)n1 ZINC000818222815 586879590 /nfs/dbraw/zinc/87/95/90/586879590.db2.gz WITZMJGUERIPRL-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO COC(=O)CC1CC(Nc2cccc[nH+]2)C1 ZINC000818332038 586886733 /nfs/dbraw/zinc/88/67/33/586886733.db2.gz HTOOQSPCXOUCGH-UHFFFAOYSA-N 1 2 220.272 1.835 20 0 BDADLO C=CC(=O)N(C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000859993206 589074868 /nfs/dbraw/zinc/07/48/68/589074868.db2.gz DAPGTLVBRFDSAM-UHFFFAOYSA-N 1 2 247.298 1.281 20 0 BDADLO Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C(=O)[O-])n2c1 ZINC000818936037 586916172 /nfs/dbraw/zinc/91/61/72/586916172.db2.gz BRZREUSUOUFMCX-SECBINFHSA-N 1 2 233.271 1.205 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(F)=C1CCC1 ZINC000819256501 586943898 /nfs/dbraw/zinc/94/38/98/586943898.db2.gz MDLGSZFDDLMDEK-UHFFFAOYSA-N 1 2 223.251 1.776 20 0 BDADLO O=C(/C=C/[C@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000819283726 586947527 /nfs/dbraw/zinc/94/75/27/586947527.db2.gz IPTRTNFUCIGQBN-AAOUONPWSA-N 1 2 247.298 1.002 20 0 BDADLO O=C(C(F)=C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000819285449 586948343 /nfs/dbraw/zinc/94/83/43/586948343.db2.gz WWBWNOGMFMBPCY-UHFFFAOYSA-N 1 2 235.262 1.674 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2ccns2)[nH]1 ZINC000860058132 589078005 /nfs/dbraw/zinc/07/80/05/589078005.db2.gz HVCYYXJHYMJEOG-SSDOTTSWSA-N 1 2 237.332 1.674 20 0 BDADLO CCOCCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819763945 586991078 /nfs/dbraw/zinc/99/10/78/586991078.db2.gz JAJHUSHPMUWULT-MRVPVSSYSA-N 1 2 230.333 1.411 20 0 BDADLO COCCC[C@@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819778138 586993555 /nfs/dbraw/zinc/99/35/55/586993555.db2.gz YCXQGTSHQWIRAC-BDAKNGLRSA-N 1 2 244.360 1.657 20 0 BDADLO CCC1(C)CN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000819969982 587009022 /nfs/dbraw/zinc/00/90/22/587009022.db2.gz SIVCXGOBDANLPP-AATRIKPKSA-N 1 2 233.315 1.692 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000820078513 587018928 /nfs/dbraw/zinc/01/89/28/587018928.db2.gz MXDGGNYIERLMIV-VHSXEESVSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1C ZINC000820192079 587033883 /nfs/dbraw/zinc/03/38/83/587033883.db2.gz WNIWEQWJVNDSAE-SNVBAGLBSA-N 1 2 244.298 1.913 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CCCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000820228850 587037176 /nfs/dbraw/zinc/03/71/76/587037176.db2.gz UXUOSOBCSLCEGG-GHMZBOCLSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CCCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000820228850 587037178 /nfs/dbraw/zinc/03/71/78/587037178.db2.gz UXUOSOBCSLCEGG-GHMZBOCLSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[NH+]1CCC(C)CC1 ZINC000820238757 587037939 /nfs/dbraw/zinc/03/79/39/587037939.db2.gz VVVFJRYXYNJQLV-NSHDSACASA-N 1 2 228.336 1.171 20 0 BDADLO C[C@@H](NC(=O)/C=C/C1CC1)c1[nH]cc[nH+]1 ZINC000820275501 587039941 /nfs/dbraw/zinc/03/99/41/587039941.db2.gz PPVYCNNSPGCHQH-WTSVBCDHSA-N 1 2 205.261 1.553 20 0 BDADLO C[C@@H](NC(=O)C=CC1CC1)c1[nH]cc[nH+]1 ZINC000820275501 587039942 /nfs/dbraw/zinc/03/99/42/587039942.db2.gz PPVYCNNSPGCHQH-WTSVBCDHSA-N 1 2 205.261 1.553 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C2CCC1CC2 ZINC000820412006 587045927 /nfs/dbraw/zinc/04/59/27/587045927.db2.gz JTMATKXYSALFFW-UHFFFAOYSA-N 1 2 205.261 1.106 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2cn(C)c[nH+]2)[C@@H]1C ZINC000820656284 587063146 /nfs/dbraw/zinc/06/31/46/587063146.db2.gz KPLWLLVFFNSFBK-NUNSBDKSSA-N 1 2 219.288 1.300 20 0 BDADLO CC(C)(C)c1cc(CO[NH+]=C(N)CCO)no1 ZINC000820705914 587067680 /nfs/dbraw/zinc/06/76/80/587067680.db2.gz HQQHHYLWLUIWBF-UHFFFAOYSA-N 1 2 241.291 1.353 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cnnn2C)s1 ZINC000820812496 587074047 /nfs/dbraw/zinc/07/40/47/587074047.db2.gz MMPUYHMMGVARNN-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO O=C(/C=C/[C@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000820858415 587077927 /nfs/dbraw/zinc/07/79/27/587077927.db2.gz YEAGMXJTJMYGCI-PGLGOXFNSA-N 1 2 236.271 1.162 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c32)C=CCC1 ZINC000820947449 587083790 /nfs/dbraw/zinc/08/37/90/587083790.db2.gz CSYKTAAHWQFFHP-MFKMUULPSA-N 1 2 231.299 1.800 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC2(CC2)C1 ZINC000820957984 587084473 /nfs/dbraw/zinc/08/44/73/587084473.db2.gz QPVVRCKWRNPBJC-UHFFFAOYSA-N 1 2 227.267 1.799 20 0 BDADLO CCc1ncsc1NC(=O)C[NH+]1CCCC1 ZINC000821136212 587097980 /nfs/dbraw/zinc/09/79/80/587097980.db2.gz ZPBDVKOEXNIDST-UHFFFAOYSA-N 1 2 239.344 1.740 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@]1(C)C=CCC1 ZINC000821239989 587103238 /nfs/dbraw/zinc/10/32/38/587103238.db2.gz XFNBFEPFTDFRNM-CYBMUJFWSA-N 1 2 233.315 1.876 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@H]1OC ZINC000821308098 587106557 /nfs/dbraw/zinc/10/65/57/587106557.db2.gz KGRLRDZYRRMHME-IVZWLZJFSA-N 1 2 237.303 1.115 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H]1CCC(=O)O1 ZINC000821368119 587112629 /nfs/dbraw/zinc/11/26/29/587112629.db2.gz KASRUMBQNXZVPG-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H]1CCC(=O)O1 ZINC000821368119 587112630 /nfs/dbraw/zinc/11/26/30/587112630.db2.gz KASRUMBQNXZVPG-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CCCCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000821385773 587115348 /nfs/dbraw/zinc/11/53/48/587115348.db2.gz OFZSFIHPQUIBCL-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000821747617 587136786 /nfs/dbraw/zinc/13/67/86/587136786.db2.gz QBURHQMBCNNRML-VIFPVBQESA-N 1 2 233.315 1.742 20 0 BDADLO C[C@@]1(C(=O)NC2=[NH+]CCS2)CC=CCC1 ZINC000822234423 587159141 /nfs/dbraw/zinc/15/91/41/587159141.db2.gz SGKADPXOCWUOMH-LLVKDONJSA-N 1 2 224.329 1.952 20 0 BDADLO Cc1cc(NC(=O)NOCC2CCC2)cc[nH+]1 ZINC000822270184 587159795 /nfs/dbraw/zinc/15/97/95/587159795.db2.gz NFQZDJLPNCMYFN-UHFFFAOYSA-N 1 2 235.287 1.665 20 0 BDADLO CO[C@@H](C)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822320118 587162136 /nfs/dbraw/zinc/16/21/36/587162136.db2.gz XHVHBMKSZJUVAW-QMMMGPOBSA-N 1 2 240.303 1.785 20 0 BDADLO C[C@H](C(=O)Nc1nc(Cl)ccc1O)[NH+](C)C ZINC000822353372 587163944 /nfs/dbraw/zinc/16/39/44/587163944.db2.gz WFYFXNPLBYHPPN-ZCFIWIBFSA-N 1 2 243.694 1.329 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000822478748 587170722 /nfs/dbraw/zinc/17/07/22/587170722.db2.gz IZXJRPPOEOADOA-DLSRUPSVSA-N 1 2 245.326 1.738 20 0 BDADLO Fc1ccc(Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000822774568 587185651 /nfs/dbraw/zinc/18/56/51/587185651.db2.gz MHFYHTZXHCZYID-UHFFFAOYSA-N 1 2 244.233 1.251 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nc([C@H](C)C2CC2)no1 ZINC000822875173 587190741 /nfs/dbraw/zinc/19/07/41/587190741.db2.gz KVLPSRSZINSHRJ-SVRRBLITSA-N 1 2 239.275 1.146 20 0 BDADLO CC(C)=C(C)CC(=O)NCc1c[nH+]cn1C ZINC000822996783 587197348 /nfs/dbraw/zinc/19/73/48/587197348.db2.gz CMRYMYJKIMTJRM-UHFFFAOYSA-N 1 2 221.304 1.783 20 0 BDADLO CN(C)c1ncccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000823178132 587206426 /nfs/dbraw/zinc/20/64/26/587206426.db2.gz MTIHFDRGERCEBM-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000823347216 587217212 /nfs/dbraw/zinc/21/72/12/587217212.db2.gz HDBSLDMQHFLLFK-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO CCC[C@@H](CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000823509732 587228657 /nfs/dbraw/zinc/22/86/57/587228657.db2.gz JGHHAONXNVNJKI-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC=CC1 ZINC000823628599 587233433 /nfs/dbraw/zinc/23/34/33/587233433.db2.gz WWQJDJPKIRCDLI-LLVKDONJSA-N 1 2 245.326 1.670 20 0 BDADLO CN(C(=O)/C=C\c1cn(C)c[nH+]1)C(C)(C)C ZINC000823658698 587235208 /nfs/dbraw/zinc/23/52/08/587235208.db2.gz CTIQIOPVSYVYRI-SREVYHEPSA-N 1 2 221.304 1.690 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CO1 ZINC000823698961 587237109 /nfs/dbraw/zinc/23/71/09/587237109.db2.gz XEVWZXXHZKZJCX-WCBMZHEXSA-N 1 2 245.282 1.470 20 0 BDADLO Nc1cc(COC(=O)C23CC(C2)C3)cc[nH+]1 ZINC000860272763 589092794 /nfs/dbraw/zinc/09/27/94/589092794.db2.gz BZYFFYINFRHBLY-UHFFFAOYSA-N 1 2 218.256 1.507 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C23CC(C2)C3)CCO1 ZINC000860272925 589092998 /nfs/dbraw/zinc/09/29/98/589092998.db2.gz HTYKDFBAJISEBG-ZBOXLXRLSA-N 1 2 239.315 1.050 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000824396944 587269257 /nfs/dbraw/zinc/26/92/57/587269257.db2.gz VVLSZKJGCPGGGQ-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000824396944 587269258 /nfs/dbraw/zinc/26/92/58/587269258.db2.gz VVLSZKJGCPGGGQ-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C23CC(C2)C3)CCO1 ZINC000860272925 589093000 /nfs/dbraw/zinc/09/30/00/589093000.db2.gz HTYKDFBAJISEBG-ZBOXLXRLSA-N 1 2 239.315 1.050 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nn(CC)nc1C ZINC000824429205 587269998 /nfs/dbraw/zinc/26/99/98/587269998.db2.gz YNSXBJGZOLWGNX-JTQLQIEISA-N 1 2 208.309 1.591 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nn(CC)nc1C ZINC000824429205 587269999 /nfs/dbraw/zinc/26/99/99/587269999.db2.gz YNSXBJGZOLWGNX-JTQLQIEISA-N 1 2 208.309 1.591 20 0 BDADLO Cc1cccc2c1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000824649597 587281115 /nfs/dbraw/zinc/28/11/15/587281115.db2.gz GBDRVDCVZDXYAI-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO CCCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000824825099 587289097 /nfs/dbraw/zinc/28/90/97/587289097.db2.gz MGTDATFWZBMMBW-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)co1 ZINC000825056290 587300709 /nfs/dbraw/zinc/30/07/09/587300709.db2.gz GRHQXLXIKPTTBZ-GXFFZTMASA-N 1 2 249.358 1.809 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(F)ncc1F ZINC000825104387 587305144 /nfs/dbraw/zinc/30/51/44/587305144.db2.gz VXVIJYNLIFRGQK-GMSGAONNSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(F)ncc1F ZINC000825104387 587305146 /nfs/dbraw/zinc/30/51/46/587305146.db2.gz VXVIJYNLIFRGQK-GMSGAONNSA-N 1 2 228.242 1.315 20 0 BDADLO CCCN(C)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825307690 587313959 /nfs/dbraw/zinc/31/39/59/587313959.db2.gz MAGAPVDFWZPSPW-UHFFFAOYSA-N 1 2 232.291 1.416 20 0 BDADLO CC[C@@](C)(O)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000825409465 587318951 /nfs/dbraw/zinc/31/89/51/587318951.db2.gz JHPVASDAPLXTRH-CYBMUJFWSA-N 1 2 247.298 1.742 20 0 BDADLO CC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OCC(C)C)CO1 ZINC000825671826 587329872 /nfs/dbraw/zinc/32/98/72/587329872.db2.gz QEBDPLCZUUIPPP-SRVKXCTJSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000826064910 587350145 /nfs/dbraw/zinc/35/01/45/587350145.db2.gz RDGOCHZQSLUVLU-UWVGGRQHSA-N 1 2 221.304 1.742 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cnn3c2CCC3)C1 ZINC000826112771 587350872 /nfs/dbraw/zinc/35/08/72/587350872.db2.gz CHIRUVARMAVGRL-UHFFFAOYSA-N 1 2 235.331 1.032 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826313271 587351997 /nfs/dbraw/zinc/35/19/97/587351997.db2.gz ALJFKNKFBLWBLA-DTWKUNHWSA-N 1 2 244.302 1.638 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NOCC2CCC2)c1 ZINC000826628181 587357340 /nfs/dbraw/zinc/35/73/40/587357340.db2.gz WJXAPOKURKQHQR-AATRIKPKSA-N 1 2 235.287 1.281 20 0 BDADLO CONC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000826657489 587358233 /nfs/dbraw/zinc/35/82/33/587358233.db2.gz SWTNTGRGFQYWHG-MRVPVSSYSA-N 1 2 243.694 1.111 20 0 BDADLO CO[C@H](C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826724514 587360159 /nfs/dbraw/zinc/36/01/59/587360159.db2.gz LOHLKEFHMWTEML-MFKMUULPSA-N 1 2 248.326 1.324 20 0 BDADLO CO[C@H](C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826724514 587360160 /nfs/dbraw/zinc/36/01/60/587360160.db2.gz LOHLKEFHMWTEML-MFKMUULPSA-N 1 2 248.326 1.324 20 0 BDADLO COCC[N@H+](CCF)Cc1c(C)cnn1C ZINC000827049634 587368788 /nfs/dbraw/zinc/36/87/88/587368788.db2.gz ZIOYOSPARCIACJ-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO COCC[N@@H+](CCF)Cc1c(C)cnn1C ZINC000827049634 587368789 /nfs/dbraw/zinc/36/87/89/587368789.db2.gz ZIOYOSPARCIACJ-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]Cc2csnn2)c2ccccc21 ZINC000827178323 587372038 /nfs/dbraw/zinc/37/20/38/587372038.db2.gz HRYMBYZMXIARGX-VXGBXAGGSA-N 1 2 247.323 1.806 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000827435012 587380992 /nfs/dbraw/zinc/38/09/92/587380992.db2.gz SGSLECUCRZQMMI-ZKXNXJMVSA-N 1 2 233.315 1.740 20 0 BDADLO CCC(C)=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000827435012 587380993 /nfs/dbraw/zinc/38/09/93/587380993.db2.gz SGSLECUCRZQMMI-ZKXNXJMVSA-N 1 2 233.315 1.740 20 0 BDADLO c1cc(C[N@@H+]2CCc3nccnc3C2)co1 ZINC000827692762 587396859 /nfs/dbraw/zinc/39/68/59/587396859.db2.gz NIQFFCJBXBZCSY-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO c1cc(C[N@H+]2CCc3nccnc3C2)co1 ZINC000827692762 587396861 /nfs/dbraw/zinc/39/68/61/587396861.db2.gz NIQFFCJBXBZCSY-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000827740891 587400677 /nfs/dbraw/zinc/40/06/77/587400677.db2.gz JGAFOYGSCWBJJZ-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCC(=O)CC(C)C ZINC000827815431 587404344 /nfs/dbraw/zinc/40/43/44/587404344.db2.gz TXGDVQSPUGUHDE-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCC(=O)CC(C)C ZINC000827815431 587404345 /nfs/dbraw/zinc/40/43/45/587404345.db2.gz TXGDVQSPUGUHDE-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)C1(CO)CC1 ZINC000827904220 587409658 /nfs/dbraw/zinc/40/96/58/587409658.db2.gz WRHILUZXFCILQI-UHFFFAOYSA-N 1 2 228.242 1.317 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)C1(CO)CC1 ZINC000827904220 587409660 /nfs/dbraw/zinc/40/96/60/587409660.db2.gz WRHILUZXFCILQI-UHFFFAOYSA-N 1 2 228.242 1.317 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@@H]1C ZINC000827945617 587412545 /nfs/dbraw/zinc/41/25/45/587412545.db2.gz XRJJXTNGBKCARP-NKWVEPMBSA-N 1 2 241.726 1.653 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@@H]1C ZINC000827945617 587412546 /nfs/dbraw/zinc/41/25/46/587412546.db2.gz XRJJXTNGBKCARP-NKWVEPMBSA-N 1 2 241.726 1.653 20 0 BDADLO Cc1nocc1C(=O)OCCc1c[nH+]cn1C ZINC000860432359 589099645 /nfs/dbraw/zinc/09/96/45/589099645.db2.gz BZKPRJKHEPHSFI-UHFFFAOYSA-N 1 2 235.243 1.116 20 0 BDADLO CCOc1cc(N[C@H]2CCn3cc[nH+]c32)ncn1 ZINC000828357244 587438115 /nfs/dbraw/zinc/43/81/15/587438115.db2.gz BOVOGFYQYCQSMQ-VIFPVBQESA-N 1 2 245.286 1.629 20 0 BDADLO Cc1ccc(C[N@H+](C)CC[S@](C)=O)nc1 ZINC000828588129 587452169 /nfs/dbraw/zinc/45/21/69/587452169.db2.gz UEIKGGRNBMGFFQ-HNNXBMFYSA-N 1 2 226.345 1.200 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC[S@](C)=O)nc1 ZINC000828588129 587452170 /nfs/dbraw/zinc/45/21/70/587452170.db2.gz UEIKGGRNBMGFFQ-HNNXBMFYSA-N 1 2 226.345 1.200 20 0 BDADLO CC[C@H](C(=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000828595295 587452181 /nfs/dbraw/zinc/45/21/81/587452181.db2.gz VMVHPGFBIIVJQX-LLVKDONJSA-N 1 2 237.303 1.383 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000828832020 587465415 /nfs/dbraw/zinc/46/54/15/587465415.db2.gz FATRLWLBRROPGZ-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000828832020 587465417 /nfs/dbraw/zinc/46/54/17/587465417.db2.gz FATRLWLBRROPGZ-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO C[C@@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000829136316 587484340 /nfs/dbraw/zinc/48/43/40/587484340.db2.gz LJRVUBITYBDCDR-MRVPVSSYSA-N 1 2 215.256 1.797 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169350 587486287 /nfs/dbraw/zinc/48/62/87/587486287.db2.gz MXZHTIGAZCQDBO-QMMMGPOBSA-N 1 2 241.722 1.523 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169350 587486289 /nfs/dbraw/zinc/48/62/89/587486289.db2.gz MXZHTIGAZCQDBO-QMMMGPOBSA-N 1 2 241.722 1.523 20 0 BDADLO CCC1(CC)[C@H]([NH2+]Cc2c[nH]nn2)C[C@@H]1OC ZINC000829218766 587488947 /nfs/dbraw/zinc/48/89/47/587488947.db2.gz HVBKMBOMJLHJET-MNOVXSKESA-N 1 2 238.335 1.488 20 0 BDADLO CCC1(CC)[C@H]([NH2+]Cc2cn[nH]n2)C[C@@H]1OC ZINC000829218766 587488948 /nfs/dbraw/zinc/48/89/48/587488948.db2.gz HVBKMBOMJLHJET-MNOVXSKESA-N 1 2 238.335 1.488 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C=C3CCC3)cc2C1 ZINC000829441305 587497289 /nfs/dbraw/zinc/49/72/89/587497289.db2.gz KIYFFWCCMJBKLG-UHFFFAOYSA-N 1 2 246.314 1.377 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C=C3CCC3)cc2C1 ZINC000829441305 587497291 /nfs/dbraw/zinc/49/72/91/587497291.db2.gz KIYFFWCCMJBKLG-UHFFFAOYSA-N 1 2 246.314 1.377 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829868050 587525969 /nfs/dbraw/zinc/52/59/69/587525969.db2.gz ZXBBFJWKRJFITP-SQRWCISFSA-N 1 2 241.316 1.078 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1CCC1 ZINC000829929756 587528589 /nfs/dbraw/zinc/52/85/89/587528589.db2.gz UHGMDADURAJLSC-VXGBXAGGSA-N 1 2 247.342 1.830 20 0 BDADLO CCC1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829934550 587528757 /nfs/dbraw/zinc/52/87/57/587528757.db2.gz LTLOIWKWLIEFQT-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000830185879 587540547 /nfs/dbraw/zinc/54/05/47/587540547.db2.gz KGEVLCDNUOMCMD-MXWKQRLJSA-N 1 2 249.314 1.026 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000830808025 587571663 /nfs/dbraw/zinc/57/16/63/587571663.db2.gz AMZHIJZUJKSWJA-MXWKQRLJSA-N 1 2 228.336 1.468 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000831539537 587617513 /nfs/dbraw/zinc/61/75/13/587617513.db2.gz XLWFWJURLFZTIS-ILWJIGKKSA-N 1 2 237.303 1.024 20 0 BDADLO CC1(C)CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000831555254 587619070 /nfs/dbraw/zinc/61/90/70/587619070.db2.gz LEULBVDRRBHOCK-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO O=C(CCCF)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831607242 587623501 /nfs/dbraw/zinc/62/35/01/587623501.db2.gz KRBXKGNOXBXLEZ-SECBINFHSA-N 1 2 225.267 1.823 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1F ZINC000831799560 587632226 /nfs/dbraw/zinc/63/22/26/587632226.db2.gz JFVWHYHGKIXEDY-BDAKNGLRSA-N 1 2 225.267 1.159 20 0 BDADLO CC(C)OCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832010408 587642890 /nfs/dbraw/zinc/64/28/90/587642890.db2.gz MHPGLLJNQKWJRO-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCN(CC(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000832130589 587645516 /nfs/dbraw/zinc/64/55/16/587645516.db2.gz AQIUJBRAGYCIGN-UHFFFAOYSA-N 1 2 217.219 1.066 20 0 BDADLO COCCC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000832180783 587648834 /nfs/dbraw/zinc/64/88/34/587648834.db2.gz DFCPOEKZJYTUNP-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000832517863 587664575 /nfs/dbraw/zinc/66/45/75/587664575.db2.gz QXNUJOFLTXRJIZ-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000833271663 587704234 /nfs/dbraw/zinc/70/42/34/587704234.db2.gz JEJSUWKOBYVMSF-JTQLQIEISA-N 1 2 233.315 1.880 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833278063 587704306 /nfs/dbraw/zinc/70/43/06/587704306.db2.gz MULWHLQCJYWOLF-ZJUUUORDSA-N 1 2 221.304 1.880 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000833300243 587705153 /nfs/dbraw/zinc/70/51/53/587705153.db2.gz OLBRLEUFOYHYQS-MWLCHTKSSA-N 1 2 233.315 1.880 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833305547 587705440 /nfs/dbraw/zinc/70/54/40/587705440.db2.gz RMUZNEMMPQHPOE-SECBINFHSA-N 1 2 221.304 1.880 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000833300244 587705445 /nfs/dbraw/zinc/70/54/45/587705445.db2.gz OLBRLEUFOYHYQS-ONGXEEELSA-N 1 2 233.315 1.880 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834305357 587750960 /nfs/dbraw/zinc/75/09/60/587750960.db2.gz AXEGUXJZYKFJFM-VWYCJHECSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H]1CC2(CCC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000834447315 587755358 /nfs/dbraw/zinc/75/53/58/587755358.db2.gz JPROJXOWLHOXKF-JTQLQIEISA-N 1 2 233.315 1.743 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCS1 ZINC000834626134 587761816 /nfs/dbraw/zinc/76/18/16/587761816.db2.gz HBFHMPYOQTYYDJ-IUCAKERBSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000834626134 587761817 /nfs/dbraw/zinc/76/18/17/587761817.db2.gz HBFHMPYOQTYYDJ-IUCAKERBSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCS1 ZINC000834644649 587762486 /nfs/dbraw/zinc/76/24/86/587762486.db2.gz TYNVEGDZWDENTO-NXEZZACHSA-N 1 2 239.344 1.283 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000834642255 587762543 /nfs/dbraw/zinc/76/25/43/587762543.db2.gz BYLAZIAHRSMMDS-DTWKUNHWSA-N 1 2 239.344 1.353 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CSC1CC1 ZINC000835192122 587788130 /nfs/dbraw/zinc/78/81/30/587788130.db2.gz BNRMIMIHIZUIGS-UHFFFAOYSA-N 1 2 226.301 1.359 20 0 BDADLO CC/C(C)=C\C(=O)OCCc1c[nH+]cn1C ZINC000835326030 587796500 /nfs/dbraw/zinc/79/65/00/587796500.db2.gz ZJVJYZJWWHJZKL-YFHOEESVSA-N 1 2 222.288 1.862 20 0 BDADLO CCC[C@@H](OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835370377 587798598 /nfs/dbraw/zinc/79/85/98/587798598.db2.gz FYBSAJHETBAHOT-WDEREUQCSA-N 1 2 247.310 1.389 20 0 BDADLO CCC[C@@H](OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835370377 587798599 /nfs/dbraw/zinc/79/85/99/587798599.db2.gz FYBSAJHETBAHOT-WDEREUQCSA-N 1 2 247.310 1.389 20 0 BDADLO C[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000836349230 587831308 /nfs/dbraw/zinc/83/13/08/587831308.db2.gz SLVDQGPHSJYGED-GXSJLCMTSA-N 1 2 248.330 1.673 20 0 BDADLO C[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C[C@H]1C ZINC000836519847 587834480 /nfs/dbraw/zinc/83/44/80/587834480.db2.gz WYJIZBCWCANJKQ-OUAUKWLOSA-N 1 2 248.330 1.625 20 0 BDADLO O=C(C1CSC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000867179081 587834779 /nfs/dbraw/zinc/83/47/79/587834779.db2.gz CCJWQYSFWLEVLK-VIFPVBQESA-N 1 2 237.328 1.436 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836951439 587843408 /nfs/dbraw/zinc/84/34/08/587843408.db2.gz AZMTYKUMUUWTGY-AEJSXWLSSA-N 1 2 239.294 1.999 20 0 BDADLO C[NH+](C)CC(C)(C)NC(=O)[C@@H](F)C(F)(F)F ZINC000837238953 587860614 /nfs/dbraw/zinc/86/06/14/587860614.db2.gz DSNPMXWNKQONJG-ZCFIWIBFSA-N 1 2 244.232 1.343 20 0 BDADLO C[NH+](C)CC(C)(C)NC(=O)C(F)C(F)(F)F ZINC000837238953 587860616 /nfs/dbraw/zinc/86/06/16/587860616.db2.gz DSNPMXWNKQONJG-ZCFIWIBFSA-N 1 2 244.232 1.343 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)NC1CCCCC1 ZINC000837313890 587865457 /nfs/dbraw/zinc/86/54/57/587865457.db2.gz RBHKATGVIGQMKN-LLVKDONJSA-N 1 2 248.330 1.960 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000837977857 587907088 /nfs/dbraw/zinc/90/70/88/587907088.db2.gz BAPZEYYBFYIDNX-QMMMGPOBSA-N 1 2 230.214 1.472 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=S)NC(C)C ZINC000840809112 587922622 /nfs/dbraw/zinc/92/26/22/587922622.db2.gz FQVMQQVTGYRVTH-SECBINFHSA-N 1 2 240.376 1.837 20 0 BDADLO C[C@@H]1CC[C@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840821132 587923269 /nfs/dbraw/zinc/92/32/69/587923269.db2.gz YKQPABSDVPXWIK-MFKMUULPSA-N 1 2 222.332 1.877 20 0 BDADLO C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841060507 587942092 /nfs/dbraw/zinc/94/20/92/587942092.db2.gz MJGPAAQXIMWIOH-SNVBAGLBSA-N 1 2 247.342 1.032 20 0 BDADLO C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841066503 587942858 /nfs/dbraw/zinc/94/28/58/587942858.db2.gz MJGPAAQXIMWIOH-JTQLQIEISA-N 1 2 247.342 1.032 20 0 BDADLO O=C1CC(F)(F)CN1C[N@H+]1CC=CCC1 ZINC000841686446 587971916 /nfs/dbraw/zinc/97/19/16/587971916.db2.gz PCLBZLWUHRDMTQ-UHFFFAOYSA-N 1 2 216.231 1.073 20 0 BDADLO O=C1CC(F)(F)CN1C[N@@H+]1CC=CCC1 ZINC000841686446 587971918 /nfs/dbraw/zinc/97/19/18/587971918.db2.gz PCLBZLWUHRDMTQ-UHFFFAOYSA-N 1 2 216.231 1.073 20 0 BDADLO Cc1nnc(CO[NH+]=C(N)Cc2ccccc2)o1 ZINC000842022160 587989387 /nfs/dbraw/zinc/98/93/87/587989387.db2.gz QPTXJURRPRUHOK-UHFFFAOYSA-N 1 2 246.270 1.619 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC1CC(F)(F)C1 ZINC000842037271 587992214 /nfs/dbraw/zinc/99/22/14/587992214.db2.gz VQUQYOQFDYVUBC-LURJTMIESA-N 1 2 222.235 1.565 20 0 BDADLO NC(=[NH+]OCCOCC1CCC1)[C@@H]1CCCO1 ZINC000842046269 587992470 /nfs/dbraw/zinc/99/24/70/587992470.db2.gz AXKMDFLCDFHGQR-NSHDSACASA-N 1 2 242.319 1.481 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1ncc(Cl)n1C)OC ZINC000842154862 588004345 /nfs/dbraw/zinc/00/43/45/588004345.db2.gz XPFJRSCUTHVZJC-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1ncc(Cl)n1C)OC ZINC000842154862 588004347 /nfs/dbraw/zinc/00/43/47/588004347.db2.gz XPFJRSCUTHVZJC-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO CC[C@H]([NH2+]CC(=O)NOC)[C@@H]1CC1(C)C ZINC000842166573 588005142 /nfs/dbraw/zinc/00/51/42/588005142.db2.gz LWZTWWYCTKPUMO-IUCAKERBSA-N 1 2 214.309 1.078 20 0 BDADLO Clc1cnn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000842624514 588046071 /nfs/dbraw/zinc/04/60/71/588046071.db2.gz FMKQXYVAYYAZIF-KOLCDFICSA-N 1 2 241.722 1.605 20 0 BDADLO Clc1cnn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000842624514 588046072 /nfs/dbraw/zinc/04/60/72/588046072.db2.gz FMKQXYVAYYAZIF-KOLCDFICSA-N 1 2 241.722 1.605 20 0 BDADLO CC(C)=CCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842659773 588049967 /nfs/dbraw/zinc/04/99/67/588049967.db2.gz CXNLXZXQKPSAFV-NSHDSACASA-N 1 2 242.319 1.504 20 0 BDADLO NC(COC[C@@H]1CCCO1)=[NH+]OCCC1CC1 ZINC000842657774 588050126 /nfs/dbraw/zinc/05/01/26/588050126.db2.gz URCPTCKQHHRDFM-NSHDSACASA-N 1 2 242.319 1.481 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1(F)CC1 ZINC000842779484 588062852 /nfs/dbraw/zinc/06/28/52/588062852.db2.gz GLCILBYDEVRIDY-MRVPVSSYSA-N 1 2 219.231 1.076 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1(F)CC1 ZINC000842779484 588062854 /nfs/dbraw/zinc/06/28/54/588062854.db2.gz GLCILBYDEVRIDY-MRVPVSSYSA-N 1 2 219.231 1.076 20 0 BDADLO CC[NH2+]Cc1noc([C@@]2(C)CCCOC2)n1 ZINC000843144648 588086233 /nfs/dbraw/zinc/08/62/33/588086233.db2.gz FYBJFTLFTIYEHW-NSHDSACASA-N 1 2 225.292 1.247 20 0 BDADLO CC[NH2+]Cc1noc(C2(COCC)CC2)n1 ZINC000843142231 588086370 /nfs/dbraw/zinc/08/63/70/588086370.db2.gz CSXKHQLTXAOCAT-UHFFFAOYSA-N 1 2 225.292 1.247 20 0 BDADLO CC[NH2+]Cc1noc(CCc2cnn(C)c2C)n1 ZINC000843145235 588086826 /nfs/dbraw/zinc/08/68/26/588086826.db2.gz YKFODVXDINLLDK-UHFFFAOYSA-N 1 2 249.318 1.006 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@H]2CC[C@@H](C)O2)n1 ZINC000843144889 588086857 /nfs/dbraw/zinc/08/68/57/588086857.db2.gz NDFHYNOPKFUPAS-NXEZZACHSA-N 1 2 239.319 1.679 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccc(C)o2)n1 ZINC000843144810 588087092 /nfs/dbraw/zinc/08/70/92/588087092.db2.gz KNSMJTJANTUWRV-UHFFFAOYSA-N 1 2 221.260 1.671 20 0 BDADLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C1(F)CC1 ZINC000843526173 588119774 /nfs/dbraw/zinc/11/97/74/588119774.db2.gz UAUXNAUOYWNNHT-UHFFFAOYSA-N 1 2 246.245 1.708 20 0 BDADLO C[N@@H+]1CCN(C(=O)C2(F)CC2)c2ccccc2C1 ZINC000843543917 588121278 /nfs/dbraw/zinc/12/12/78/588121278.db2.gz AHPVNXPFRLCRSA-UHFFFAOYSA-N 1 2 248.301 1.967 20 0 BDADLO C[N@H+]1CCN(C(=O)C2(F)CC2)c2ccccc2C1 ZINC000843543917 588121280 /nfs/dbraw/zinc/12/12/80/588121280.db2.gz AHPVNXPFRLCRSA-UHFFFAOYSA-N 1 2 248.301 1.967 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(F)CC1 ZINC000843602678 588128673 /nfs/dbraw/zinc/12/86/73/588128673.db2.gz WIDFLJVAWBFUFF-MRVPVSSYSA-N 1 2 225.267 1.582 20 0 BDADLO CCCONC(=O)CSCC[NH+](CC)CC ZINC000844086760 588164885 /nfs/dbraw/zinc/16/48/85/588164885.db2.gz OYQJMOGKYIINHZ-UHFFFAOYSA-N 1 2 248.392 1.519 20 0 BDADLO NC(=[NH+]OCC=C(Cl)Cl)[C@@H]1CCCO1 ZINC000844236469 588176056 /nfs/dbraw/zinc/17/60/56/588176056.db2.gz IEURFHNQYUYQTL-LURJTMIESA-N 1 2 239.102 1.983 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000844434540 588193024 /nfs/dbraw/zinc/19/30/24/588193024.db2.gz LDWZCDAEXPNBOB-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000844434540 588193025 /nfs/dbraw/zinc/19/30/25/588193025.db2.gz LDWZCDAEXPNBOB-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)n1 ZINC000844438734 588194181 /nfs/dbraw/zinc/19/41/81/588194181.db2.gz OXEMALMKJOYYPO-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)n1 ZINC000844438734 588194182 /nfs/dbraw/zinc/19/41/82/588194182.db2.gz OXEMALMKJOYYPO-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO C[C@H](CC(=O)Nc1cnsn1)n1cc[nH+]c1 ZINC000844529870 588200704 /nfs/dbraw/zinc/20/07/04/588200704.db2.gz XGRGKWFFNQJITJ-SSDOTTSWSA-N 1 2 237.288 1.324 20 0 BDADLO CCCC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000844537525 588201421 /nfs/dbraw/zinc/20/14/21/588201421.db2.gz LUXXDXQZENQRJX-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@@H]1C[C@H]1C1CCC1 ZINC000844550610 588202046 /nfs/dbraw/zinc/20/20/46/588202046.db2.gz ARRFAOPVTJGWFR-TUAOUCFPSA-N 1 2 245.326 1.880 20 0 BDADLO COC/C(C)=C/C(=O)NCc1c[nH+]c(C)cc1C ZINC000844563522 588202703 /nfs/dbraw/zinc/20/27/03/588202703.db2.gz IRYKRVLTBWHIDA-BJMVGYQFSA-N 1 2 248.326 1.907 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCOC2=S)[C@@H](C)CO1 ZINC000844734594 588215586 /nfs/dbraw/zinc/21/55/86/588215586.db2.gz XXTBWEZXLAFNQQ-UWVGGRQHSA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCOC2=S)[C@@H](C)CO1 ZINC000844734594 588215587 /nfs/dbraw/zinc/21/55/87/588215587.db2.gz XXTBWEZXLAFNQQ-UWVGGRQHSA-N 1 2 244.360 1.060 20 0 BDADLO CC1(C)CN(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C(=O)O1 ZINC000844754159 588216243 /nfs/dbraw/zinc/21/62/43/588216243.db2.gz BOLKZWONGHWCES-OCAPTIKFSA-N 1 2 246.257 1.372 20 0 BDADLO CC1(C)CN(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C(=O)O1 ZINC000844754159 588216244 /nfs/dbraw/zinc/21/62/44/588216244.db2.gz BOLKZWONGHWCES-OCAPTIKFSA-N 1 2 246.257 1.372 20 0 BDADLO CC(=O)CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278888 588225463 /nfs/dbraw/zinc/22/54/63/588225463.db2.gz XCFSPODAFRAREZ-JTQLQIEISA-N 1 2 238.287 1.747 20 0 BDADLO CC(C)C(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845282095 588225518 /nfs/dbraw/zinc/22/55/18/588225518.db2.gz MHRNLAVXHWMRKT-JTQLQIEISA-N 1 2 238.287 1.603 20 0 BDADLO CCOCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280913 588225614 /nfs/dbraw/zinc/22/56/14/588225614.db2.gz KNNVIPJWOFXIHS-JTQLQIEISA-N 1 2 226.276 1.414 20 0 BDADLO CC[C@@H](COC(=O)C[C@@H](C)n1cc[nH+]c1)OC ZINC000845285788 588225678 /nfs/dbraw/zinc/22/56/78/588225678.db2.gz KKKKYASHBXCDSY-MNOVXSKESA-N 1 2 240.303 1.802 20 0 BDADLO C[C@H](CC(=O)OCc1ncccn1)n1cc[nH+]c1 ZINC000845283630 588225915 /nfs/dbraw/zinc/22/59/15/588225915.db2.gz FOENIAUZIONWMF-SNVBAGLBSA-N 1 2 246.270 1.368 20 0 BDADLO CO[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000845713067 588242050 /nfs/dbraw/zinc/24/20/50/588242050.db2.gz CIEIWBBZTOLNKM-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO C/C=C/C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000106010307 588242627 /nfs/dbraw/zinc/24/26/27/588242627.db2.gz HCWYBQUUXDAZRX-GORDUTHDSA-N 1 2 245.326 1.302 20 0 BDADLO C[C@H](CC(=O)NN1CCCCC1)n1cc[nH+]c1 ZINC000845885349 588249539 /nfs/dbraw/zinc/24/95/39/588249539.db2.gz CSAUDNSIVATFSC-LLVKDONJSA-N 1 2 236.319 1.351 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccn2)[C@H](C)CO1 ZINC000846043829 588254654 /nfs/dbraw/zinc/25/46/54/588254654.db2.gz DBXCGTARADNDCA-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccn2)[C@H](C)CO1 ZINC000846043829 588254655 /nfs/dbraw/zinc/25/46/55/588254655.db2.gz DBXCGTARADNDCA-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000846090455 588256316 /nfs/dbraw/zinc/25/63/16/588256316.db2.gz AVJSHRSZKPVEHR-MNOVXSKESA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000846090454 588256375 /nfs/dbraw/zinc/25/63/75/588256375.db2.gz AVJSHRSZKPVEHR-GHMZBOCLSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000846090000 588256431 /nfs/dbraw/zinc/25/64/31/588256431.db2.gz BHNSMVCIKJGNTI-WDEREUQCSA-N 1 2 228.336 1.613 20 0 BDADLO COCc1cc[nH+]c(NCc2cnccn2)c1 ZINC000846117949 588257970 /nfs/dbraw/zinc/25/79/70/588257970.db2.gz RSKYVFJFFLMRDW-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)nn1 ZINC000846121300 588258273 /nfs/dbraw/zinc/25/82/73/588258273.db2.gz XORFNWFICHXEPN-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@H](F)C2)nn1 ZINC000846121300 588258274 /nfs/dbraw/zinc/25/82/74/588258274.db2.gz XORFNWFICHXEPN-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO CC[C@H](C)CONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846213498 588260035 /nfs/dbraw/zinc/26/00/35/588260035.db2.gz PLRWPMGQFRDDRI-WDEREUQCSA-N 1 2 239.319 1.928 20 0 BDADLO CC(C)(NC(=O)C1(F)CC1)c1[nH]cc[nH+]1 ZINC000846247099 588262448 /nfs/dbraw/zinc/26/24/48/588262448.db2.gz NNICGGGSWFVQHS-UHFFFAOYSA-N 1 2 211.240 1.263 20 0 BDADLO CS/C=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244890 588262617 /nfs/dbraw/zinc/26/26/17/588262617.db2.gz PUAVPVNGBFTFPS-DAXSKMNVSA-N 1 2 225.317 1.638 20 0 BDADLO c1nsnc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000846771416 588287500 /nfs/dbraw/zinc/28/75/00/588287500.db2.gz JGFRSLHUFKXJQW-SECBINFHSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000846771416 588287501 /nfs/dbraw/zinc/28/75/01/588287501.db2.gz JGFRSLHUFKXJQW-SECBINFHSA-N 1 2 239.344 1.539 20 0 BDADLO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cnsn2)C1 ZINC000846856284 588293534 /nfs/dbraw/zinc/29/35/34/588293534.db2.gz AHJBKTNHHAWCDU-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2cnsn2)C1 ZINC000846856284 588293535 /nfs/dbraw/zinc/29/35/35/588293535.db2.gz AHJBKTNHHAWCDU-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cnsn1 ZINC000846867504 588294525 /nfs/dbraw/zinc/29/45/25/588294525.db2.gz BHVHKULICGGSLW-FXPVBKGRSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cnsn1 ZINC000846867504 588294526 /nfs/dbraw/zinc/29/45/26/588294526.db2.gz BHVHKULICGGSLW-FXPVBKGRSA-N 1 2 241.360 1.519 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnsn2)[C@H](C)C1 ZINC000846890741 588295380 /nfs/dbraw/zinc/29/53/80/588295380.db2.gz VSACWRRIDXIULO-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnsn2)[C@H](C)C1 ZINC000846890741 588295381 /nfs/dbraw/zinc/29/53/81/588295381.db2.gz VSACWRRIDXIULO-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846951954 588298407 /nfs/dbraw/zinc/29/84/07/588298407.db2.gz UFPKIFPCFPJXIE-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000847006277 588301264 /nfs/dbraw/zinc/30/12/64/588301264.db2.gz WSHSEHTUKWGUND-SCZZXKLOSA-N 1 2 225.317 1.149 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000847006277 588301265 /nfs/dbraw/zinc/30/12/65/588301265.db2.gz WSHSEHTUKWGUND-SCZZXKLOSA-N 1 2 225.317 1.149 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847038833 588304791 /nfs/dbraw/zinc/30/47/91/588304791.db2.gz WPVFTLRLEGBBFW-VXGBXAGGSA-N 1 2 239.315 1.335 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847038833 588304792 /nfs/dbraw/zinc/30/47/92/588304792.db2.gz WPVFTLRLEGBBFW-VXGBXAGGSA-N 1 2 239.315 1.335 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@H](O)C1CC1 ZINC000847057328 588305178 /nfs/dbraw/zinc/30/51/78/588305178.db2.gz CRKHUANBXJWWFP-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@@H](C)OC ZINC000847056569 588305358 /nfs/dbraw/zinc/30/53/58/588305358.db2.gz BQVVCRDECKUTRL-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)C(C)C)n1 ZINC000847066930 588305812 /nfs/dbraw/zinc/30/58/12/588305812.db2.gz UOXPHSONQVUQKL-VIFPVBQESA-N 1 2 239.319 1.986 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)C(C)C)n1 ZINC000847066930 588305813 /nfs/dbraw/zinc/30/58/13/588305813.db2.gz UOXPHSONQVUQKL-VIFPVBQESA-N 1 2 239.319 1.986 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@@H]1CCCO1 ZINC000847065141 588305828 /nfs/dbraw/zinc/30/58/28/588305828.db2.gz RBDOZZRPAQSEIE-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO COc1ccc(C(=O)OCCn2cc[nH+]c2)o1 ZINC000847695043 588326667 /nfs/dbraw/zinc/32/66/67/588326667.db2.gz UOWZOUPPNHBAMO-UHFFFAOYSA-N 1 2 236.227 1.342 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000847844771 588336816 /nfs/dbraw/zinc/33/68/16/588336816.db2.gz BEPLOJCTQVQEJY-VWYCJHECSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000847844771 588336818 /nfs/dbraw/zinc/33/68/18/588336818.db2.gz BEPLOJCTQVQEJY-VWYCJHECSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOCC1CC1 ZINC000848129552 588359237 /nfs/dbraw/zinc/35/92/37/588359237.db2.gz UUPHWRBJXQLOKE-QMMMGPOBSA-N 1 2 223.276 1.046 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOCC1CC1 ZINC000848129552 588359239 /nfs/dbraw/zinc/35/92/39/588359239.db2.gz UUPHWRBJXQLOKE-QMMMGPOBSA-N 1 2 223.276 1.046 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(Cl)n2C)on1 ZINC000848532609 588393598 /nfs/dbraw/zinc/39/35/98/588393598.db2.gz CTKRHCQUUBFVIU-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ncc[nH]1 ZINC000848566004 588397995 /nfs/dbraw/zinc/39/79/95/588397995.db2.gz PDJZEPOTDMEPJZ-ICCXJUOJSA-N 1 2 243.310 1.719 20 0 BDADLO CCc1nc(CNc2nc[nH+]c(C)c2OC)co1 ZINC000848718865 588408333 /nfs/dbraw/zinc/40/83/33/588408333.db2.gz SYKCASNYMOOKAX-UHFFFAOYSA-N 1 2 248.286 1.956 20 0 BDADLO Cc1noc(CN(C)c2cc[nH+]c(C(C)C)n2)n1 ZINC000848789093 588413486 /nfs/dbraw/zinc/41/34/86/588413486.db2.gz VZEPGCKOKYJPEK-UHFFFAOYSA-N 1 2 247.302 1.928 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OCc1ccccc1 ZINC000848920387 588421062 /nfs/dbraw/zinc/42/10/62/588421062.db2.gz FSNXAULJCNXMPR-DGCLKSJQSA-N 1 2 249.310 1.497 20 0 BDADLO CC(=O)[C@@H](C)CCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000849731365 588491308 /nfs/dbraw/zinc/49/13/08/588491308.db2.gz BWETUGHQPAJRDA-JQWIXIFHSA-N 1 2 241.331 1.629 20 0 BDADLO CC(=O)[C@@H](C)CCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000849731365 588491309 /nfs/dbraw/zinc/49/13/09/588491309.db2.gz BWETUGHQPAJRDA-JQWIXIFHSA-N 1 2 241.331 1.629 20 0 BDADLO CO[C@@H](C[NH2+]Cc1nc(C)c[nH]1)C(F)(F)F ZINC000850135189 588521452 /nfs/dbraw/zinc/52/14/52/588521452.db2.gz JUSSLYJNZPDABT-ZETCQYMHSA-N 1 2 237.225 1.385 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000850869486 588572143 /nfs/dbraw/zinc/57/21/43/588572143.db2.gz WIYKKNHUABKXGC-GXSJLCMTSA-N 1 2 238.287 1.278 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)n1 ZINC000851721422 588617160 /nfs/dbraw/zinc/61/71/60/588617160.db2.gz KFCRXJPNKWVMPL-JTQLQIEISA-N 1 2 237.278 1.061 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)n1 ZINC000851721422 588617161 /nfs/dbraw/zinc/61/71/61/588617161.db2.gz KFCRXJPNKWVMPL-JTQLQIEISA-N 1 2 237.278 1.061 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cccc(F)n1 ZINC000851726809 588618107 /nfs/dbraw/zinc/61/81/07/588618107.db2.gz WZXNLOWDRPTFIW-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cccc(F)n1 ZINC000851726809 588618108 /nfs/dbraw/zinc/61/81/08/588618108.db2.gz WZXNLOWDRPTFIW-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1cccc(F)n1 ZINC000851733490 588619748 /nfs/dbraw/zinc/61/97/48/588619748.db2.gz XCLSLPKCFWSAFX-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1cccc(F)n1 ZINC000851733490 588619749 /nfs/dbraw/zinc/61/97/49/588619749.db2.gz XCLSLPKCFWSAFX-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCOC(F)F ZINC000851773922 588626076 /nfs/dbraw/zinc/62/60/76/588626076.db2.gz DIDUXHFJDULAJS-MRVPVSSYSA-N 1 2 209.236 1.336 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCOC(F)F ZINC000851773922 588626077 /nfs/dbraw/zinc/62/60/77/588626077.db2.gz DIDUXHFJDULAJS-MRVPVSSYSA-N 1 2 209.236 1.336 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851841075 588634221 /nfs/dbraw/zinc/63/42/21/588634221.db2.gz MRZNUHNXZHEVDS-SECBINFHSA-N 1 2 245.319 1.021 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851841075 588634222 /nfs/dbraw/zinc/63/42/22/588634222.db2.gz MRZNUHNXZHEVDS-SECBINFHSA-N 1 2 245.319 1.021 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cnon1 ZINC000851862289 588636135 /nfs/dbraw/zinc/63/61/35/588636135.db2.gz XDBUBLREWCZULG-NSHDSACASA-N 1 2 247.302 1.313 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cnon1 ZINC000851862289 588636136 /nfs/dbraw/zinc/63/61/36/588636136.db2.gz XDBUBLREWCZULG-NSHDSACASA-N 1 2 247.302 1.313 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1ccccc1 ZINC000851873953 588637982 /nfs/dbraw/zinc/63/79/82/588637982.db2.gz VKZPRPKKHQPYMH-LBPRGKRZSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1ccccc1 ZINC000851873953 588637983 /nfs/dbraw/zinc/63/79/83/588637983.db2.gz VKZPRPKKHQPYMH-LBPRGKRZSA-N 1 2 231.299 1.575 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000851907410 588642488 /nfs/dbraw/zinc/64/24/88/588642488.db2.gz IANHBXBYGWAMCW-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000851907410 588642489 /nfs/dbraw/zinc/64/24/89/588642489.db2.gz IANHBXBYGWAMCW-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO OC[C@@H]([NH2+]Cc1cnon1)c1cccc(F)c1 ZINC000851918005 588643166 /nfs/dbraw/zinc/64/31/66/588643166.db2.gz SYNDBQSTJWMMQU-LLVKDONJSA-N 1 2 237.234 1.032 20 0 BDADLO OCC[C@H]([NH2+]Cc1cnon1)c1cccs1 ZINC000851925844 588644470 /nfs/dbraw/zinc/64/44/70/588644470.db2.gz CIGDWVJEKCFFDA-VIFPVBQESA-N 1 2 239.300 1.344 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(F)n1 ZINC000851968410 588649207 /nfs/dbraw/zinc/64/92/07/588649207.db2.gz WJYKVOMYURAYPF-WPRPVWTQSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(F)n1 ZINC000851968410 588649208 /nfs/dbraw/zinc/64/92/08/588649208.db2.gz WJYKVOMYURAYPF-WPRPVWTQSA-N 1 2 228.242 1.125 20 0 BDADLO CCOC1CC([N@H+](C)Cc2cnon2)C1 ZINC000852050127 588657813 /nfs/dbraw/zinc/65/78/13/588657813.db2.gz LCFZFSNAGGPXHN-UHFFFAOYSA-N 1 2 211.265 1.069 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2cnon2)C1 ZINC000852050127 588657814 /nfs/dbraw/zinc/65/78/14/588657814.db2.gz LCFZFSNAGGPXHN-UHFFFAOYSA-N 1 2 211.265 1.069 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cccc(F)n1 ZINC000852090004 588660761 /nfs/dbraw/zinc/66/07/61/588660761.db2.gz ZFQKEJCKWUTFIZ-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cccc(F)n1 ZINC000852090004 588660762 /nfs/dbraw/zinc/66/07/62/588660762.db2.gz ZFQKEJCKWUTFIZ-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cnon2)C12CCC2 ZINC000852142461 588666707 /nfs/dbraw/zinc/66/67/07/588666707.db2.gz ZKDALKJNRLAOBE-GHMZBOCLSA-N 1 2 237.303 1.459 20 0 BDADLO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnon2)C12CCC2 ZINC000852142461 588666708 /nfs/dbraw/zinc/66/67/08/588666708.db2.gz ZKDALKJNRLAOBE-GHMZBOCLSA-N 1 2 237.303 1.459 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)C[C@H]2CCC(=O)O2)n1 ZINC000852217842 588673875 /nfs/dbraw/zinc/67/38/75/588673875.db2.gz OMDSMJOXQOQOBG-VXNVDRBHSA-N 1 2 239.275 1.076 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2CCC(=O)O2)n1 ZINC000852217842 588673876 /nfs/dbraw/zinc/67/38/76/588673876.db2.gz OMDSMJOXQOQOBG-VXNVDRBHSA-N 1 2 239.275 1.076 20 0 BDADLO CC(C)CONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852226011 588674182 /nfs/dbraw/zinc/67/41/82/588674182.db2.gz VVOIHPWLKKAKAF-UHFFFAOYSA-N 1 2 226.280 1.139 20 0 BDADLO CC(C)CONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852226011 588674183 /nfs/dbraw/zinc/67/41/83/588674183.db2.gz VVOIHPWLKKAKAF-UHFFFAOYSA-N 1 2 226.280 1.139 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NOC1CCCC1 ZINC000852240758 588674477 /nfs/dbraw/zinc/67/44/77/588674477.db2.gz QQDRMLDZBMOOQX-UHFFFAOYSA-N 1 2 238.291 1.425 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NOC1CCCC1 ZINC000852240758 588674478 /nfs/dbraw/zinc/67/44/78/588674478.db2.gz QQDRMLDZBMOOQX-UHFFFAOYSA-N 1 2 238.291 1.425 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000852345968 588679137 /nfs/dbraw/zinc/67/91/37/588679137.db2.gz QPEDLUWNKDCYDJ-ZJUUUORDSA-N 1 2 246.314 1.285 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000852345968 588679138 /nfs/dbraw/zinc/67/91/38/588679138.db2.gz QPEDLUWNKDCYDJ-ZJUUUORDSA-N 1 2 246.314 1.285 20 0 BDADLO COCC[N@H+](CCF)Cc1cnc(C)cn1 ZINC000852483487 588684521 /nfs/dbraw/zinc/68/45/21/588684521.db2.gz JRGWSYBEKMAVSI-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnc(C)cn1 ZINC000852483487 588684522 /nfs/dbraw/zinc/68/45/22/588684522.db2.gz JRGWSYBEKMAVSI-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@H+](CCF)Cc1cnccc1C ZINC000852482927 588684796 /nfs/dbraw/zinc/68/47/96/588684796.db2.gz UMPGXKLKNHRLOE-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnccc1C ZINC000852482927 588684797 /nfs/dbraw/zinc/68/47/97/588684797.db2.gz UMPGXKLKNHRLOE-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO C[N@@H+](C/C(Cl)=C/Cl)C[C@H]1COCCO1 ZINC000852496432 588685706 /nfs/dbraw/zinc/68/57/06/588685706.db2.gz QHVVSZUYEPMULJ-OTOXVQDCSA-N 1 2 240.130 1.653 20 0 BDADLO C[N@H+](C/C(Cl)=C/Cl)C[C@H]1COCCO1 ZINC000852496432 588685707 /nfs/dbraw/zinc/68/57/07/588685707.db2.gz QHVVSZUYEPMULJ-OTOXVQDCSA-N 1 2 240.130 1.653 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@H+](Cc2cnsn2)C1 ZINC000852501580 588686352 /nfs/dbraw/zinc/68/63/52/588686352.db2.gz PKUBBLJFAVIHTA-NSHDSACASA-N 1 2 239.344 1.275 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@@H+](Cc2cnsn2)C1 ZINC000852501580 588686353 /nfs/dbraw/zinc/68/63/53/588686353.db2.gz PKUBBLJFAVIHTA-NSHDSACASA-N 1 2 239.344 1.275 20 0 BDADLO Cn1cc(C[N@H+](C)CCSC(C)(C)C)nn1 ZINC000852550734 588689087 /nfs/dbraw/zinc/68/90/87/588689087.db2.gz DMCXSWTUCBELJL-UHFFFAOYSA-N 1 2 242.392 1.779 20 0 BDADLO Cn1cc(C[N@@H+](C)CCSC(C)(C)C)nn1 ZINC000852550734 588689088 /nfs/dbraw/zinc/68/90/88/588689088.db2.gz DMCXSWTUCBELJL-UHFFFAOYSA-N 1 2 242.392 1.779 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(CF)cc2)nn1 ZINC000852553435 588689511 /nfs/dbraw/zinc/68/95/11/588689511.db2.gz RMJCVBCQZLAWTF-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(CF)cc2)nn1 ZINC000852553435 588689512 /nfs/dbraw/zinc/68/95/12/588689512.db2.gz RMJCVBCQZLAWTF-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000852560367 588690228 /nfs/dbraw/zinc/69/02/28/588690228.db2.gz TZJZKVPGNGNURD-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ncc(Cl)n1C ZINC000852560367 588690229 /nfs/dbraw/zinc/69/02/29/588690229.db2.gz TZJZKVPGNGNURD-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC000852584135 588691998 /nfs/dbraw/zinc/69/19/98/588691998.db2.gz JBGLGUAANGKJPW-RQJHMYQMSA-N 1 2 241.228 1.780 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852584436 588692086 /nfs/dbraw/zinc/69/20/86/588692086.db2.gz NHCDEKNSFLUABY-HBNTYKKESA-N 1 2 241.331 1.221 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@@H+]2C/C=C/Cl ZINC000852706331 588697099 /nfs/dbraw/zinc/69/70/99/588697099.db2.gz LOKDNSWAJPPBHT-ONEGZZNKSA-N 1 2 229.707 1.766 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@H+]2C/C=C/Cl ZINC000852706331 588697100 /nfs/dbraw/zinc/69/71/00/588697100.db2.gz LOKDNSWAJPPBHT-ONEGZZNKSA-N 1 2 229.707 1.766 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000852785044 588701168 /nfs/dbraw/zinc/70/11/68/588701168.db2.gz XWECBERPOSSWJV-KCJUWKMLSA-N 1 2 249.257 1.048 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000852785044 588701169 /nfs/dbraw/zinc/70/11/69/588701169.db2.gz XWECBERPOSSWJV-KCJUWKMLSA-N 1 2 249.257 1.048 20 0 BDADLO CCC(=O)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852784398 588702291 /nfs/dbraw/zinc/70/22/91/588702291.db2.gz KTHJDERWIHZZDO-LLVKDONJSA-N 1 2 235.274 1.712 20 0 BDADLO CCC(=O)CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852784398 588702292 /nfs/dbraw/zinc/70/22/92/588702292.db2.gz KTHJDERWIHZZDO-LLVKDONJSA-N 1 2 235.274 1.712 20 0 BDADLO CC(C)c1nocc1C(=O)OCc1c[nH+]cn1C ZINC000860576006 589106835 /nfs/dbraw/zinc/10/68/35/589106835.db2.gz LJWCKDSTTXMWOT-UHFFFAOYSA-N 1 2 249.270 1.889 20 0 BDADLO CC(F)(F)C(=O)N1CC[NH+](CCCF)CC1 ZINC000862114209 589191910 /nfs/dbraw/zinc/19/19/10/589191910.db2.gz CURLGBYOHLBPFD-UHFFFAOYSA-N 1 2 238.253 1.145 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C(F)F)C2)[nH+]c1C ZINC000862355870 589202852 /nfs/dbraw/zinc/20/28/52/589202852.db2.gz UNZXVDRYMHQHNF-SECBINFHSA-N 1 2 245.273 1.492 20 0 BDADLO CC[C@@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000119208973 589250693 /nfs/dbraw/zinc/25/06/93/589250693.db2.gz ZYWCJYMPMZWXHL-SNVBAGLBSA-N 1 2 228.361 1.251 20 0 BDADLO S=c1[nH]ccn1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863306077 589277533 /nfs/dbraw/zinc/27/75/33/589277533.db2.gz ZGWRQKJHKBLSAB-VHSXEESVSA-N 1 2 239.344 1.383 20 0 BDADLO S=c1[nH]ccn1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863306077 589277534 /nfs/dbraw/zinc/27/75/34/589277534.db2.gz ZGWRQKJHKBLSAB-VHSXEESVSA-N 1 2 239.344 1.383 20 0 BDADLO O=c1sccn1C[NH+](C1CC1)C1CC1 ZINC000863302750 589277560 /nfs/dbraw/zinc/27/75/60/589277560.db2.gz LMZXRWDDFOHEON-UHFFFAOYSA-N 1 2 210.302 1.494 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000863305305 589277872 /nfs/dbraw/zinc/27/78/72/589277872.db2.gz LCYCJRKGEQLUMF-GRYCIOLGSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000863305305 589277874 /nfs/dbraw/zinc/27/78/74/589277874.db2.gz LCYCJRKGEQLUMF-GRYCIOLGSA-N 1 2 238.331 1.066 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119433584 589283611 /nfs/dbraw/zinc/28/36/11/589283611.db2.gz NYJQLURITJLDAC-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO COC1CC(O[NH+]=C(N)COC(C)C)C1 ZINC000863455582 589288903 /nfs/dbraw/zinc/28/89/03/589288903.db2.gz NWCHVQUPAWUVQH-UHFFFAOYSA-N 1 2 216.281 1.087 20 0 BDADLO COC(=O)CCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000863472686 589291371 /nfs/dbraw/zinc/29/13/71/589291371.db2.gz MKHQFSIODDLQHX-SECBINFHSA-N 1 2 244.291 1.007 20 0 BDADLO CC[C@H](CO[NH+]=C(N)C1(OC)CCCC1)OC ZINC000863477509 589292161 /nfs/dbraw/zinc/29/21/61/589292161.db2.gz NKTQUYLHTLRHGY-SNVBAGLBSA-N 1 2 244.335 1.869 20 0 BDADLO COC1(C(N)=[NH+]OC[C@H]2C[C@H]2C)CCOCC1 ZINC000863477126 589292251 /nfs/dbraw/zinc/29/22/51/589292251.db2.gz UMNCCSQYLYIBJS-NXEZZACHSA-N 1 2 242.319 1.336 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(N)cn2)C2(CCC2)CO1 ZINC000864049976 589334843 /nfs/dbraw/zinc/33/48/43/589334843.db2.gz QBHCPHPBESDNCA-JTQLQIEISA-N 1 2 248.330 1.202 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(N)cn2)C2(CCC2)CO1 ZINC000864049976 589334844 /nfs/dbraw/zinc/33/48/44/589334844.db2.gz QBHCPHPBESDNCA-JTQLQIEISA-N 1 2 248.330 1.202 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC1(F)F ZINC000864071728 589339127 /nfs/dbraw/zinc/33/91/27/589339127.db2.gz JWRVTJLXYKPSBX-SSDOTTSWSA-N 1 2 229.230 1.114 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC[C@@H]1CC1(F)F ZINC000864071728 589339129 /nfs/dbraw/zinc/33/91/29/589339129.db2.gz JWRVTJLXYKPSBX-SSDOTTSWSA-N 1 2 229.230 1.114 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000864073991 589339412 /nfs/dbraw/zinc/33/94/12/589339412.db2.gz VBVAAMZGYGDNPU-CLYYMRHHSA-N 1 2 233.315 1.742 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000864074138 589339518 /nfs/dbraw/zinc/33/95/18/589339518.db2.gz ZKUATLUOKZTSIT-NSHDSACASA-N 1 2 207.277 1.257 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000864074138 589339519 /nfs/dbraw/zinc/33/95/19/589339519.db2.gz ZKUATLUOKZTSIT-NSHDSACASA-N 1 2 207.277 1.257 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CC1(F)F ZINC000864074045 589339676 /nfs/dbraw/zinc/33/96/76/589339676.db2.gz VODQQOWRYPMGGI-SECBINFHSA-N 1 2 229.230 1.114 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH+]c[nH]2)CC1(F)F ZINC000864074045 589339678 /nfs/dbraw/zinc/33/96/78/589339678.db2.gz VODQQOWRYPMGGI-SECBINFHSA-N 1 2 229.230 1.114 20 0 BDADLO C[C@H](O)c1cccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]1 ZINC000864090928 589343251 /nfs/dbraw/zinc/34/32/51/589343251.db2.gz LRUVUJHGJSEBRJ-BQSGVUBFSA-N 1 2 248.326 1.485 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)C2(CO)CC2)[nH+]1 ZINC000864091481 589343799 /nfs/dbraw/zinc/34/37/99/589343799.db2.gz OOLBAGQCZPWEMD-ZJUUUORDSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2C[C@@H](O)C23CCC3)[nH+]c1 ZINC000864093166 589344156 /nfs/dbraw/zinc/34/41/56/589344156.db2.gz JAZZUHFQHAYINE-MVWJERBFSA-N 1 2 248.326 1.850 20 0 BDADLO CCON(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000864427204 589361981 /nfs/dbraw/zinc/36/19/81/589361981.db2.gz LYNMTYBSGWGMIE-UHFFFAOYSA-N 1 2 240.307 1.256 20 0 BDADLO CCN(C)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000864810916 589394912 /nfs/dbraw/zinc/39/49/12/589394912.db2.gz IVXWPWRZTKUVNP-UHFFFAOYSA-N 1 2 235.262 1.494 20 0 BDADLO CN(C(=O)[C@H]1CCC[N@H+](CC(F)F)C1)C1CC1 ZINC000864837291 589397429 /nfs/dbraw/zinc/39/74/29/589397429.db2.gz VTKCASIKCDVKHN-VIFPVBQESA-N 1 2 246.301 1.584 20 0 BDADLO CN(C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)C1CC1 ZINC000864837291 589397431 /nfs/dbraw/zinc/39/74/31/589397431.db2.gz VTKCASIKCDVKHN-VIFPVBQESA-N 1 2 246.301 1.584 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000864883351 589399562 /nfs/dbraw/zinc/39/95/62/589399562.db2.gz AAMNVUYFNIKABT-UJPOAAIJSA-N 1 2 247.342 1.680 20 0 BDADLO CCN(C(=O)/C=C/C[NH+]1CCOCC1)C(C)C ZINC000864952446 589402207 /nfs/dbraw/zinc/40/22/07/589402207.db2.gz QLVZDGLFRGXWII-AATRIKPKSA-N 1 2 240.347 1.132 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000865157708 589412052 /nfs/dbraw/zinc/41/20/52/589412052.db2.gz BTYPRYMWKISDCU-YTWAJWBKSA-N 1 2 233.315 1.328 20 0 BDADLO CCCCOC(=O)CSCc1c[nH+]cn1C ZINC000865377062 589427816 /nfs/dbraw/zinc/42/78/16/589427816.db2.gz NSVKPGYIEUTSGP-UHFFFAOYSA-N 1 2 242.344 1.997 20 0 BDADLO CCc1cc(C[NH2+]Cc2ncnn2C(C)C)[nH]n1 ZINC000865463173 589438090 /nfs/dbraw/zinc/43/80/90/589438090.db2.gz XMHGFPFDVAMCMU-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO OCc1ccncc1NCc1cn(C2CC2)c[nH+]1 ZINC000865505249 589441490 /nfs/dbraw/zinc/44/14/90/589441490.db2.gz CPRCCSQEDPYGLB-UHFFFAOYSA-N 1 2 244.298 1.717 20 0 BDADLO CCCCc1cc(NCC[S@](C)=O)nc[nH+]1 ZINC000865541682 589444497 /nfs/dbraw/zinc/44/44/97/589444497.db2.gz OGDWVWACSJIOKK-INIZCTEOSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1cccc(F)c1CNc1nc(C)[nH+]c(N)n1 ZINC000865563757 589447105 /nfs/dbraw/zinc/44/71/05/589447105.db2.gz XXZAQEARRWBGLK-UHFFFAOYSA-N 1 2 247.277 1.822 20 0 BDADLO Cc1cccc(F)c1CNc1nc(N)nc(C)[nH+]1 ZINC000865563757 589447106 /nfs/dbraw/zinc/44/71/06/589447106.db2.gz XXZAQEARRWBGLK-UHFFFAOYSA-N 1 2 247.277 1.822 20 0 BDADLO FCCn1cc(NCc2cn(C3CC3)c[nH+]2)cn1 ZINC000865640697 589453499 /nfs/dbraw/zinc/45/34/99/589453499.db2.gz NKUHYMZHQIKQAH-UHFFFAOYSA-N 1 2 249.293 1.996 20 0 BDADLO CN(C)c1c[nH+]cc(NC[C@H]2CCCOC2)c1 ZINC000865668349 589455417 /nfs/dbraw/zinc/45/54/17/589455417.db2.gz GQGGAUSVVNCWHK-LLVKDONJSA-N 1 2 235.331 1.986 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H](C)c2ncnn2C)[nH+]c1 ZINC000865720543 589458184 /nfs/dbraw/zinc/45/81/84/589458184.db2.gz IMAAWFOUNIMECZ-RKDXNWHRSA-N 1 2 247.302 1.437 20 0 BDADLO CCOCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000865719229 589458339 /nfs/dbraw/zinc/45/83/39/589458339.db2.gz RHSIOWREWAIZBV-UHFFFAOYSA-N 1 2 239.319 1.623 20 0 BDADLO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000865807543 589462611 /nfs/dbraw/zinc/46/26/11/589462611.db2.gz URHVTHGLWWPCEL-CQSZACIVSA-N 1 2 242.326 1.686 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865819100 589463232 /nfs/dbraw/zinc/46/32/32/589463232.db2.gz CCCRAZKATFIYHJ-OPRDCNLKSA-N 1 2 224.304 1.970 20 0 BDADLO FCCn1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000865837917 589464077 /nfs/dbraw/zinc/46/40/77/589464077.db2.gz WAQNOLTUWOIYRI-UHFFFAOYSA-N 1 2 209.228 1.188 20 0 BDADLO COc1ncncc1C[NH2+][C@H](C)c1ccnn1C ZINC000865838528 589464363 /nfs/dbraw/zinc/46/43/63/589464363.db2.gz XLHBIYRHWYTGJJ-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCCNc1cc(N2CC(C)(CO)C2)nc[nH+]1 ZINC000865857384 589465460 /nfs/dbraw/zinc/46/54/60/589465460.db2.gz ZIBSWNXHGMBDTL-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CCCNc1cc(N2CC(C)(CO)C2)[nH+]cn1 ZINC000865857384 589465461 /nfs/dbraw/zinc/46/54/61/589465461.db2.gz ZIBSWNXHGMBDTL-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO C[C@H](O)c1ccc(N2CCO[C@@H](CF)C2)[nH+]c1 ZINC000865875535 589466562 /nfs/dbraw/zinc/46/65/62/589466562.db2.gz CRCIDRIVGHKQFP-ONGXEEELSA-N 1 2 240.278 1.310 20 0 BDADLO Nc1nc(NC/C=C\CO)nc(C2CCCC2)[nH+]1 ZINC000865936093 589469400 /nfs/dbraw/zinc/46/94/00/589469400.db2.gz FIADFZZNOMLMRW-ARJAWSKDSA-N 1 2 249.318 1.072 20 0 BDADLO Nc1nc(NC/C=C\CO)[nH+]c(C2CCCC2)n1 ZINC000865936093 589469401 /nfs/dbraw/zinc/46/94/01/589469401.db2.gz FIADFZZNOMLMRW-ARJAWSKDSA-N 1 2 249.318 1.072 20 0 BDADLO CCOC1CC2(C[C@@H]2C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000865992590 589471615 /nfs/dbraw/zinc/47/16/15/589471615.db2.gz HQFSYPPWAWUILV-QWKFWESOSA-N 1 2 249.314 1.231 20 0 BDADLO CCOC1CC2(C[C@@H]2C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000865992590 589471616 /nfs/dbraw/zinc/47/16/16/589471616.db2.gz HQFSYPPWAWUILV-QWKFWESOSA-N 1 2 249.314 1.231 20 0 BDADLO CCOC1CC2(C[C@H]2C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000865992589 589471835 /nfs/dbraw/zinc/47/18/35/589471835.db2.gz HQFSYPPWAWUILV-AKJDGMEZSA-N 1 2 249.314 1.231 20 0 BDADLO CCOC1CC2(C[C@H]2C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000865992589 589471836 /nfs/dbraw/zinc/47/18/36/589471836.db2.gz HQFSYPPWAWUILV-AKJDGMEZSA-N 1 2 249.314 1.231 20 0 BDADLO Cc1nc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc[nH+]1 ZINC000866044670 589473684 /nfs/dbraw/zinc/47/36/84/589473684.db2.gz KMNRTTSMIZJFRP-BSFRTMCYSA-N 1 2 231.299 1.620 20 0 BDADLO COC(=O)c1coc(CNc2cc[nH+]c(C)n2)c1 ZINC000866098247 589475858 /nfs/dbraw/zinc/47/58/58/589475858.db2.gz UDKOIEAVMVIOKK-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO Cc1cc(N2CC[C@H]3CSC[C@@H]3C2)nc[nH+]1 ZINC000866200255 589479535 /nfs/dbraw/zinc/47/95/35/589479535.db2.gz GDYRNCPNIZYEOE-QWRGUYRKSA-N 1 2 235.356 1.974 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866267816 589483757 /nfs/dbraw/zinc/48/37/57/589483757.db2.gz HYKYWSGYEAJNFY-NGZCFLSTSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ncn(C)n1)c1ccccn1 ZINC000866310238 589485701 /nfs/dbraw/zinc/48/57/01/589485701.db2.gz FHZJDMJRDLRSAG-CYBMUJFWSA-N 1 2 245.330 1.697 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866338116 589487044 /nfs/dbraw/zinc/48/70/44/589487044.db2.gz XOFYEYBIFMSDLB-GXSJLCMTSA-N 1 2 239.319 1.338 20 0 BDADLO CCN(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867796022 589534401 /nfs/dbraw/zinc/53/44/01/589534401.db2.gz VIDILMZUIWAAPJ-CYBMUJFWSA-N 1 2 247.342 1.834 20 0 BDADLO CCN(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867796022 589534402 /nfs/dbraw/zinc/53/44/02/589534402.db2.gz VIDILMZUIWAAPJ-CYBMUJFWSA-N 1 2 247.342 1.834 20 0 BDADLO CCC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867900164 589539112 /nfs/dbraw/zinc/53/91/12/589539112.db2.gz DUTDQYNJIVHXJK-UHFFFAOYSA-N 1 2 219.288 1.270 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OC1CCC1 ZINC000867935342 589540490 /nfs/dbraw/zinc/54/04/90/589540490.db2.gz HNVGVBQQMLBZPB-UHFFFAOYSA-N 1 2 209.249 1.199 20 0 BDADLO CCONC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867976179 589541914 /nfs/dbraw/zinc/54/19/14/589541914.db2.gz WSSNKQHRKKLBNS-GFCCVEGCSA-N 1 2 249.314 1.424 20 0 BDADLO CCONC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867976179 589541915 /nfs/dbraw/zinc/54/19/15/589541915.db2.gz WSSNKQHRKKLBNS-GFCCVEGCSA-N 1 2 249.314 1.424 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)NCCF ZINC000868000219 589543496 /nfs/dbraw/zinc/54/34/96/589543496.db2.gz KSULYUONVLXPPD-UHFFFAOYSA-N 1 2 239.225 1.102 20 0 BDADLO C=C=CCNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000868497680 589561264 /nfs/dbraw/zinc/56/12/64/589561264.db2.gz UTDOGHYKCREORK-JTQLQIEISA-N 1 2 244.285 1.421 20 0 BDADLO C=C=CCNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000868497680 589561266 /nfs/dbraw/zinc/56/12/66/589561266.db2.gz UTDOGHYKCREORK-JTQLQIEISA-N 1 2 244.285 1.421 20 0 BDADLO CCC1(CC)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868570648 589564835 /nfs/dbraw/zinc/56/48/35/589564835.db2.gz GSHQHENRECKUPG-JTQLQIEISA-N 1 2 237.303 1.092 20 0 BDADLO CCOC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620752 589568188 /nfs/dbraw/zinc/56/81/88/589568188.db2.gz IAIPFJJXSONGOV-SECBINFHSA-N 1 2 237.303 1.259 20 0 BDADLO C/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000868676505 589572429 /nfs/dbraw/zinc/57/24/29/589572429.db2.gz YLUSHVGIJXRAFT-DNQSNQRASA-N 1 2 207.277 1.656 20 0 BDADLO C/C=C\C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000868676513 589572464 /nfs/dbraw/zinc/57/24/64/589572464.db2.gz YLUSHVGIJXRAFT-XTULLQBASA-N 1 2 207.277 1.656 20 0 BDADLO CC[C@@H](CO)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000868678773 589572490 /nfs/dbraw/zinc/57/24/90/589572490.db2.gz MWSMJCCGIJJJGA-ZJUUUORDSA-N 1 2 239.319 1.099 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1=COCC1 ZINC000868676557 589572700 /nfs/dbraw/zinc/57/27/00/589572700.db2.gz BZBVYVPVHDZPHE-VIFPVBQESA-N 1 2 235.287 1.384 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000868838447 589579195 /nfs/dbraw/zinc/57/91/95/589579195.db2.gz DYYJRBIGFSOILU-IXOXFDKPSA-N 1 2 247.342 1.371 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1 ZINC000868839102 589579238 /nfs/dbraw/zinc/57/92/38/589579238.db2.gz XUNYNJQWEOKBQY-VXGBXAGGSA-N 1 2 249.358 1.761 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC1 ZINC000869108886 589589442 /nfs/dbraw/zinc/58/94/42/589589442.db2.gz QZZMNCVQMWYQPI-CYBMUJFWSA-N 1 2 245.326 1.588 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC1 ZINC000869108886 589589443 /nfs/dbraw/zinc/58/94/43/589589443.db2.gz QZZMNCVQMWYQPI-CYBMUJFWSA-N 1 2 245.326 1.588 20 0 BDADLO CCn1ncc(C(=O)OCc2c[nH+]cn2C)c1C ZINC000870220557 589650145 /nfs/dbraw/zinc/65/01/45/589650145.db2.gz YEVDPLYKRKZFKI-UHFFFAOYSA-N 1 2 248.286 1.302 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccnc(F)c1 ZINC000871005793 589709704 /nfs/dbraw/zinc/70/97/04/589709704.db2.gz CCHZDKISTFGXOT-UHFFFAOYSA-N 1 2 248.261 1.111 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccnc(F)c1 ZINC000871005793 589709705 /nfs/dbraw/zinc/70/97/05/589709705.db2.gz CCHZDKISTFGXOT-UHFFFAOYSA-N 1 2 248.261 1.111 20 0 BDADLO CC1(F)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000871075534 589721489 /nfs/dbraw/zinc/72/14/89/589721489.db2.gz DKTUEVCZHOGGKZ-UHFFFAOYSA-N 1 2 225.267 1.303 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC12CCC2 ZINC000871630044 589779347 /nfs/dbraw/zinc/77/93/47/589779347.db2.gz XPBDVOCNTQYGGB-MNOVXSKESA-N 1 2 248.330 1.513 20 0 BDADLO C[C@H](CO)SCc1[nH+]ccn1CC(F)F ZINC000871655824 589783329 /nfs/dbraw/zinc/78/33/29/589783329.db2.gz XLGQHWFONGHTAP-SSDOTTSWSA-N 1 2 236.287 1.762 20 0 BDADLO OCCSCc1[nH+]ccn1CC(F)F ZINC000871716639 589797363 /nfs/dbraw/zinc/79/73/63/589797363.db2.gz SGGTWLUCWSMNPJ-UHFFFAOYSA-N 1 2 222.260 1.374 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC1CC(CF)(CF)C1 ZINC000871735735 589798517 /nfs/dbraw/zinc/79/85/17/589798517.db2.gz WUKYKUGMBNZTMA-SSDOTTSWSA-N 1 2 236.262 1.608 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC1CC(C)(C)C1 ZINC000871735676 589798849 /nfs/dbraw/zinc/79/88/49/589798849.db2.gz UTBAXLGGCJTEDD-SSDOTTSWSA-N 1 2 200.282 1.708 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000871927680 589832970 /nfs/dbraw/zinc/83/29/70/589832970.db2.gz OJSQUWGMZGLCON-YUMQZZPRSA-N 1 2 235.291 1.523 20 0 BDADLO CCOC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989936 589854816 /nfs/dbraw/zinc/85/48/16/589854816.db2.gz UVODUZKIBYFIHQ-SNVBAGLBSA-N 1 2 226.320 1.578 20 0 BDADLO Cc1nonc1C[NH2+][C@H]1CCCc2ncccc21 ZINC000872136448 589878913 /nfs/dbraw/zinc/87/89/13/589878913.db2.gz LLSCJGCFYBNCFF-LBPRGKRZSA-N 1 2 244.298 1.940 20 0 BDADLO Cc1nonc1CN[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000872138061 589879852 /nfs/dbraw/zinc/87/98/52/589879852.db2.gz ZABGPQTXGAIHSZ-CBAPKCEASA-N 1 2 233.275 1.370 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@H](C)CO1 ZINC000888596891 589896050 /nfs/dbraw/zinc/89/60/50/589896050.db2.gz FVLDRGJRFLBSQZ-LDYMZIIASA-N 1 2 236.271 1.454 20 0 BDADLO CN1CCN(C(=O)C(C)(C)C)Cc2ccc[nH+]c21 ZINC000872300153 589908222 /nfs/dbraw/zinc/90/82/22/589908222.db2.gz UOUKEIPSGQFQHP-UHFFFAOYSA-N 1 2 247.342 1.906 20 0 BDADLO O=C1N(C[N@H+]2CC[C@@H](F)C2)C[C@H]2CCCCN12 ZINC000872616106 589956824 /nfs/dbraw/zinc/95/68/24/589956824.db2.gz ZGBLDZMBKMYUBV-GHMZBOCLSA-N 1 2 241.310 1.278 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@@H](F)C2)C[C@H]2CCCCN12 ZINC000872616106 589956825 /nfs/dbraw/zinc/95/68/25/589956825.db2.gz ZGBLDZMBKMYUBV-GHMZBOCLSA-N 1 2 241.310 1.278 20 0 BDADLO COc1ccc[nH+]c1NCc1nonc1C ZINC000872777635 589968732 /nfs/dbraw/zinc/96/87/32/589968732.db2.gz JYWPSEAJHRKKCQ-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccon1 ZINC000873051448 589981288 /nfs/dbraw/zinc/98/12/88/589981288.db2.gz CJJJZRLOCVSZKA-GFCCVEGCSA-N 1 2 244.298 1.940 20 0 BDADLO COc1cncc(C[NH2+]Cc2nonc2C)c1C ZINC000873195859 589991311 /nfs/dbraw/zinc/99/13/11/589991311.db2.gz DWOFTYCIJSLAIP-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(N)cn2)C[C@@H](C2CC2)O1 ZINC000873209879 589995299 /nfs/dbraw/zinc/99/52/99/589995299.db2.gz UZIFYRZKMMCLNV-CABZTGNLSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@@H](C2CC2)O1 ZINC000873209879 589995303 /nfs/dbraw/zinc/99/53/03/589995303.db2.gz UZIFYRZKMMCLNV-CABZTGNLSA-N 1 2 248.330 1.058 20 0 BDADLO CCC[C@H](CC)C(=O)NCC[NH+]1CCOCC1 ZINC000873743069 590070366 /nfs/dbraw/zinc/07/03/66/590070366.db2.gz VFWPNTSKDKRWDF-LBPRGKRZSA-N 1 2 242.363 1.261 20 0 BDADLO Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874046351 590087522 /nfs/dbraw/zinc/08/75/22/590087522.db2.gz VYEJOFMKFXXTRJ-BETUJISGSA-N 1 2 248.326 1.775 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874773391 590127599 /nfs/dbraw/zinc/12/75/99/590127599.db2.gz SYPXTZKQYZHNMB-FXPVBKGRSA-N 1 2 231.299 1.572 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874773391 590127601 /nfs/dbraw/zinc/12/76/01/590127601.db2.gz SYPXTZKQYZHNMB-FXPVBKGRSA-N 1 2 231.299 1.572 20 0 BDADLO CON(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876208200 590191195 /nfs/dbraw/zinc/19/11/95/590191195.db2.gz ZDTASVWJMRSNLV-GFCCVEGCSA-N 1 2 249.314 1.376 20 0 BDADLO CON(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876208200 590191196 /nfs/dbraw/zinc/19/11/96/590191196.db2.gz ZDTASVWJMRSNLV-GFCCVEGCSA-N 1 2 249.314 1.376 20 0 BDADLO Nc1ccc(NC(=O)C2(F)CCOCC2)c[nH+]1 ZINC000876523261 590207700 /nfs/dbraw/zinc/20/77/00/590207700.db2.gz PSUAZAVCMBYDRX-UHFFFAOYSA-N 1 2 239.250 1.121 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc2c(cnn2C)c1 ZINC000876610347 590222123 /nfs/dbraw/zinc/22/21/23/590222123.db2.gz BHIYJJGQTUNYNN-SNVBAGLBSA-N 1 2 246.314 1.189 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc2c(cnn2C)c1 ZINC000876610347 590222125 /nfs/dbraw/zinc/22/21/25/590222125.db2.gz BHIYJJGQTUNYNN-SNVBAGLBSA-N 1 2 246.314 1.189 20 0 BDADLO C[N@H+](Cc1ccns1)[C@@H]1CCCCNC1=O ZINC000876653210 590226032 /nfs/dbraw/zinc/22/60/32/590226032.db2.gz LCPUQCVZHYLBKW-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO C[N@@H+](Cc1ccns1)[C@@H]1CCCCNC1=O ZINC000876653210 590226034 /nfs/dbraw/zinc/22/60/34/590226034.db2.gz LCPUQCVZHYLBKW-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CCOC2=O)o1 ZINC000126112912 590230929 /nfs/dbraw/zinc/23/09/29/590230929.db2.gz MRDDCDFHHULTKZ-JTQLQIEISA-N 1 2 209.245 1.335 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CCOC2=O)o1 ZINC000126112912 590230930 /nfs/dbraw/zinc/23/09/30/590230930.db2.gz MRDDCDFHHULTKZ-JTQLQIEISA-N 1 2 209.245 1.335 20 0 BDADLO CCCn1cc(C[N@@H+]2CCSC[C@H]2C)nn1 ZINC000876736334 590234458 /nfs/dbraw/zinc/23/44/58/590234458.db2.gz JNLOZEZWUAGFMP-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1cc(C[N@H+]2CCSC[C@H]2C)nn1 ZINC000876736334 590234460 /nfs/dbraw/zinc/23/44/60/590234460.db2.gz JNLOZEZWUAGFMP-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1cc(C[NH+]2CCC(C)(O)CC2)nn1 ZINC000876746651 590237316 /nfs/dbraw/zinc/23/73/16/590237316.db2.gz MYQMMZWPPQHSII-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO Cc1cnc(C[NH2+]CC[S@](=O)C(C)(C)C)o1 ZINC000877056262 590275794 /nfs/dbraw/zinc/27/57/94/590275794.db2.gz RVRLXTVCSLTEQQ-INIZCTEOSA-N 1 2 244.360 1.620 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000877470218 590335106 /nfs/dbraw/zinc/33/51/06/590335106.db2.gz ZLBWXUHBAPEABM-OUAUKWLOSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000877476519 590335574 /nfs/dbraw/zinc/33/55/74/590335574.db2.gz GLGFHGQOPWPQJG-QWRGUYRKSA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H](CC(C)C)OC ZINC000877476281 590335911 /nfs/dbraw/zinc/33/59/11/590335911.db2.gz AGWPWVDUFKIAGU-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO C[N@@H+](Cc1nc(Cl)cs1)C[C@@H](O)C1CC1 ZINC000877526959 590348211 /nfs/dbraw/zinc/34/82/11/590348211.db2.gz HGQIKJWTQMBWJU-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1nc(Cl)cs1)C[C@@H](O)C1CC1 ZINC000877526959 590348213 /nfs/dbraw/zinc/34/82/13/590348213.db2.gz HGQIKJWTQMBWJU-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C[NH+]2CC(S(C)(=O)=O)C2)CCCC1 ZINC000877576908 590363580 /nfs/dbraw/zinc/36/35/80/590363580.db2.gz QYUKZGWMHMBOJM-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO CCOC1C[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000877579884 590364703 /nfs/dbraw/zinc/36/47/03/590364703.db2.gz HMIQVHHDPZPRPT-SSDOTTSWSA-N 1 2 224.131 1.901 20 0 BDADLO COC(=O)c1occc1C[NH+]1CC(C)(C)C1 ZINC000877717323 590399240 /nfs/dbraw/zinc/39/92/40/590399240.db2.gz HVAUZTAVKBAWEL-UHFFFAOYSA-N 1 2 223.272 1.908 20 0 BDADLO CCn1c[nH+]cc1[C@H]1Nc2ccccc2C(=O)N1 ZINC000877843990 590432535 /nfs/dbraw/zinc/43/25/35/590432535.db2.gz RGBBGUNXCPMBOG-LBPRGKRZSA-N 1 2 242.282 1.757 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000877936378 590452037 /nfs/dbraw/zinc/45/20/37/590452037.db2.gz YFHDJHWYYLCKAZ-SNVBAGLBSA-N 1 2 236.315 1.510 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000877936378 590452039 /nfs/dbraw/zinc/45/20/39/590452039.db2.gz YFHDJHWYYLCKAZ-SNVBAGLBSA-N 1 2 236.315 1.510 20 0 BDADLO OC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000877944974 590453949 /nfs/dbraw/zinc/45/39/49/590453949.db2.gz WTUGOKPLTVTJPZ-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO FC(F)Cn1cc[nH+]c1CN1CCCOCC1 ZINC000878013863 590471702 /nfs/dbraw/zinc/47/17/02/590471702.db2.gz FIDGHEYCLOVWIU-UHFFFAOYSA-N 1 2 245.273 1.371 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)COC3CC3)cc2[nH+]1 ZINC000878033648 590476358 /nfs/dbraw/zinc/47/63/58/590476358.db2.gz UCILMMJGUSHGLR-UHFFFAOYSA-N 1 2 245.282 1.989 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000878044699 590480372 /nfs/dbraw/zinc/48/03/72/590480372.db2.gz QZIKXHIKVRWHKH-JTQLQIEISA-N 1 2 241.331 1.487 20 0 BDADLO C[N@H+](Cc1nccn1CC(F)F)[C@H]1CCOC1 ZINC000878083763 590488606 /nfs/dbraw/zinc/48/86/06/590488606.db2.gz FTRMFOAWNLQPPV-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO C[N@@H+](Cc1nccn1CC(F)F)[C@H]1CCOC1 ZINC000878083763 590488607 /nfs/dbraw/zinc/48/86/07/590488607.db2.gz FTRMFOAWNLQPPV-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO O=S1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878094081 590488610 /nfs/dbraw/zinc/48/86/10/590488610.db2.gz PILBICJQITVCGJ-LLVKDONJSA-N 1 2 243.372 1.010 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1ccon1 ZINC000878126230 590501427 /nfs/dbraw/zinc/50/14/27/590501427.db2.gz VEZSNIJQNOIBCI-NSHDSACASA-N 1 2 212.293 1.513 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1ccon1 ZINC000878126230 590501428 /nfs/dbraw/zinc/50/14/28/590501428.db2.gz VEZSNIJQNOIBCI-NSHDSACASA-N 1 2 212.293 1.513 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878129610 590502663 /nfs/dbraw/zinc/50/26/63/590502663.db2.gz QVHRIOQJAGIOMU-SECBINFHSA-N 1 2 224.304 1.366 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878129610 590502665 /nfs/dbraw/zinc/50/26/65/590502665.db2.gz QVHRIOQJAGIOMU-SECBINFHSA-N 1 2 224.304 1.366 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@H](O)CC(C)(C)O ZINC000878199498 590522789 /nfs/dbraw/zinc/52/27/89/590522789.db2.gz BKXFWYMJVQGZMI-SECBINFHSA-N 1 2 239.306 1.484 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@H](O)CC(C)(C)O ZINC000878199498 590522790 /nfs/dbraw/zinc/52/27/90/590522790.db2.gz BKXFWYMJVQGZMI-SECBINFHSA-N 1 2 239.306 1.484 20 0 BDADLO Cc1conc1CN(C)Cc1[nH]cc[nH+]1 ZINC000878315303 590542322 /nfs/dbraw/zinc/54/23/22/590542322.db2.gz LDWKFVCCZUSRII-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO C=C/C=C\CC[NH2+][C@@](C)(COC)C(=O)OC ZINC000878333517 590547978 /nfs/dbraw/zinc/54/79/78/590547978.db2.gz WYPFVCOYJOOKFE-DGMVEKRQSA-N 1 2 227.304 1.286 20 0 BDADLO CC(=O)C[NH2+]C1(c2ccccc2F)CC1 ZINC000878366600 590554989 /nfs/dbraw/zinc/55/49/89/590554989.db2.gz SXFCNVFZENAWGJ-UHFFFAOYSA-N 1 2 207.248 1.993 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000878380216 590556935 /nfs/dbraw/zinc/55/69/35/590556935.db2.gz UIQKKVDWMIKMAL-DTORHVGOSA-N 1 2 205.248 1.752 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000878380216 590556936 /nfs/dbraw/zinc/55/69/36/590556936.db2.gz UIQKKVDWMIKMAL-DTORHVGOSA-N 1 2 205.248 1.752 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1scnc1Cl)C2 ZINC000878481180 590576302 /nfs/dbraw/zinc/57/63/02/590576302.db2.gz ARTNKKSSOJLOAA-XCBNKYQSSA-N 1 2 244.747 1.611 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1scnc1Cl)C2 ZINC000878481180 590576303 /nfs/dbraw/zinc/57/63/03/590576303.db2.gz ARTNKKSSOJLOAA-XCBNKYQSSA-N 1 2 244.747 1.611 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nc(C3CCC3)no1)C2 ZINC000878482765 590577169 /nfs/dbraw/zinc/57/71/69/590577169.db2.gz YCHPWNCECPSDNH-MFKMUULPSA-N 1 2 249.314 1.151 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nc(C3CCC3)no1)C2 ZINC000878482765 590577170 /nfs/dbraw/zinc/57/71/70/590577170.db2.gz YCHPWNCECPSDNH-MFKMUULPSA-N 1 2 249.314 1.151 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000878492352 590579210 /nfs/dbraw/zinc/57/92/10/590579210.db2.gz GXPQNUVTVKUXRQ-DTWKUNHWSA-N 1 2 235.274 1.915 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000878492352 590579212 /nfs/dbraw/zinc/57/92/12/590579212.db2.gz GXPQNUVTVKUXRQ-DTWKUNHWSA-N 1 2 235.274 1.915 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000878492354 590579453 /nfs/dbraw/zinc/57/94/53/590579453.db2.gz GXPQNUVTVKUXRQ-RKDXNWHRSA-N 1 2 235.274 1.915 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000878492354 590579455 /nfs/dbraw/zinc/57/94/55/590579455.db2.gz GXPQNUVTVKUXRQ-RKDXNWHRSA-N 1 2 235.274 1.915 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000878669470 590607087 /nfs/dbraw/zinc/60/70/87/590607087.db2.gz DJGQKYVQDXCWTI-QMMMGPOBSA-N 1 2 229.217 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000878669470 590607089 /nfs/dbraw/zinc/60/70/89/590607089.db2.gz DJGQKYVQDXCWTI-QMMMGPOBSA-N 1 2 229.217 1.734 20 0 BDADLO CC(=O)C1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000878671380 590607367 /nfs/dbraw/zinc/60/73/67/590607367.db2.gz HDTFMLFZEJYYSJ-UHFFFAOYSA-N 1 2 235.331 1.828 20 0 BDADLO CC(=O)C1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000878671380 590607370 /nfs/dbraw/zinc/60/73/70/590607370.db2.gz HDTFMLFZEJYYSJ-UHFFFAOYSA-N 1 2 235.331 1.828 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793876 590624259 /nfs/dbraw/zinc/62/42/59/590624259.db2.gz WICLHCDJHYHUPK-JTQLQIEISA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793876 590624260 /nfs/dbraw/zinc/62/42/60/590624260.db2.gz WICLHCDJHYHUPK-JTQLQIEISA-N 1 2 244.766 1.976 20 0 BDADLO C=C/C=C/CC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000878811490 590626512 /nfs/dbraw/zinc/62/65/12/590626512.db2.gz GTLJWXMZOIZWIF-NNTXTVRGSA-N 1 2 247.342 1.926 20 0 BDADLO C=C/C=C/CC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000878811490 590626514 /nfs/dbraw/zinc/62/65/14/590626514.db2.gz GTLJWXMZOIZWIF-NNTXTVRGSA-N 1 2 247.342 1.926 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnsn2)[C@H](CO)C1 ZINC000879149441 590703553 /nfs/dbraw/zinc/70/35/53/590703553.db2.gz NOUOAHMKMCOTOK-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)[C@H](CO)C1 ZINC000879149441 590703556 /nfs/dbraw/zinc/70/35/56/590703556.db2.gz NOUOAHMKMCOTOK-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(F)CC[NH+](Cc2cnsn2)CC1 ZINC000879383449 590758736 /nfs/dbraw/zinc/75/87/36/590758736.db2.gz MIETXFMBRVRTTP-UHFFFAOYSA-N 1 2 215.297 1.862 20 0 BDADLO COC(=O)C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879407185 590763513 /nfs/dbraw/zinc/76/35/13/590763513.db2.gz VZPZLEYAWCUWCX-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1nc(C[NH2+]C(C)(C)[C@H]2CCCCO2)no1 ZINC000879410648 590763527 /nfs/dbraw/zinc/76/35/27/590763527.db2.gz YPZCHLCPIOORJV-SNVBAGLBSA-N 1 2 239.319 1.815 20 0 BDADLO C[C@H](c1csnn1)[NH+]1CCC([C@H](C)O)CC1 ZINC000879456872 590774486 /nfs/dbraw/zinc/77/44/86/590774486.db2.gz LXUAGFSFNZFOHD-BDAKNGLRSA-N 1 2 241.360 1.692 20 0 BDADLO Cc1ccnc(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000879788453 590869978 /nfs/dbraw/zinc/86/99/78/590869978.db2.gz HIVFQBCSFHMQLZ-NSHDSACASA-N 1 2 243.314 1.606 20 0 BDADLO O=C(CC[N@@H+]1OC2CCC1CC2)N1CCCC1 ZINC000879800961 590877820 /nfs/dbraw/zinc/87/78/20/590877820.db2.gz YHBBXKDOHIKRCF-UHFFFAOYSA-N 1 2 238.331 1.557 20 0 BDADLO O=C(CC[N@H+]1OC2CCC1CC2)N1CCCC1 ZINC000879800961 590877823 /nfs/dbraw/zinc/87/78/23/590877823.db2.gz YHBBXKDOHIKRCF-UHFFFAOYSA-N 1 2 238.331 1.557 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(CO)(CO)CC1 ZINC000879972409 590902929 /nfs/dbraw/zinc/90/29/29/590902929.db2.gz NCUHZFMHOMUCBS-UHFFFAOYSA-N 1 2 237.290 1.099 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCOC(C)C ZINC000879979921 590902232 /nfs/dbraw/zinc/90/22/32/590902232.db2.gz DKKMCZGERQHLIC-GFCCVEGCSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](O)C1CC1 ZINC000879981864 590903982 /nfs/dbraw/zinc/90/39/82/590903982.db2.gz VXTVNKLTLBPKJN-NWDGAFQWSA-N 1 2 241.331 1.079 20 0 BDADLO CCCC[NH2+][C@H](Cc1cncs1)C(=O)OC ZINC000879991285 590904739 /nfs/dbraw/zinc/90/47/39/590904739.db2.gz KAKXFVSBBSTEMU-SNVBAGLBSA-N 1 2 242.344 1.617 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000880159169 590946624 /nfs/dbraw/zinc/94/66/24/590946624.db2.gz RULMABROMBVFMO-SDDRHHMPSA-N 1 2 245.326 1.880 20 0 BDADLO COCC1([N@H+](C)Cc2nnc(C)[nH]2)CCC1 ZINC000880185027 590952336 /nfs/dbraw/zinc/95/23/36/590952336.db2.gz CGHLQVYPXCYREM-UHFFFAOYSA-N 1 2 224.308 1.114 20 0 BDADLO COCC1([N@@H+](C)Cc2nnc(C)[nH]2)CCC1 ZINC000880185027 590952338 /nfs/dbraw/zinc/95/23/38/590952338.db2.gz CGHLQVYPXCYREM-UHFFFAOYSA-N 1 2 224.308 1.114 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188410 590956122 /nfs/dbraw/zinc/95/61/22/590956122.db2.gz DDAZMSSGMQAPSJ-STQMWFEESA-N 1 2 246.310 1.123 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188410 590956124 /nfs/dbraw/zinc/95/61/24/590956124.db2.gz DDAZMSSGMQAPSJ-STQMWFEESA-N 1 2 246.310 1.123 20 0 BDADLO O[C@H]1C[C@]([NH2+]Cc2ccon2)(c2ccccc2)C1 ZINC000880222899 590960436 /nfs/dbraw/zinc/96/04/36/590960436.db2.gz MXUQMOWXNVSPRQ-OKILXGFUSA-N 1 2 244.294 1.814 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](CF)C2)[nH]1 ZINC000880238719 590971758 /nfs/dbraw/zinc/97/17/58/590971758.db2.gz VXIOVYOOOLDLMI-VIFPVBQESA-N 1 2 212.272 1.295 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](CF)C2)[nH]1 ZINC000880238719 590971760 /nfs/dbraw/zinc/97/17/60/590971760.db2.gz VXIOVYOOOLDLMI-VIFPVBQESA-N 1 2 212.272 1.295 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC(F)CC2)no1 ZINC000880239780 590972312 /nfs/dbraw/zinc/97/23/12/590972312.db2.gz QIJQWLUKQLWKDZ-SSDOTTSWSA-N 1 2 213.256 1.873 20 0 BDADLO COCc1noc([C@@H](C)[NH+]2CCC(F)CC2)n1 ZINC000880240223 590973495 /nfs/dbraw/zinc/97/34/95/590973495.db2.gz QGNGXFLPKSPBEV-MRVPVSSYSA-N 1 2 243.282 1.711 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880298820 590992592 /nfs/dbraw/zinc/99/25/92/590992592.db2.gz KHKUHXLPNAXUTP-NSHDSACASA-N 1 2 240.326 1.726 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880298820 590992595 /nfs/dbraw/zinc/99/25/95/590992595.db2.gz KHKUHXLPNAXUTP-NSHDSACASA-N 1 2 240.326 1.726 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](CF)C2)s1 ZINC000880298981 590993746 /nfs/dbraw/zinc/99/37/46/590993746.db2.gz MSGLXMICTAOGLJ-MRVPVSSYSA-N 1 2 215.297 1.638 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](CF)C2)s1 ZINC000880298981 590993747 /nfs/dbraw/zinc/99/37/47/590993747.db2.gz MSGLXMICTAOGLJ-MRVPVSSYSA-N 1 2 215.297 1.638 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880299149 590993949 /nfs/dbraw/zinc/99/39/49/590993949.db2.gz DGHYSQNZMNBDHJ-VIFPVBQESA-N 1 2 243.282 1.050 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880299149 590993950 /nfs/dbraw/zinc/99/39/50/590993950.db2.gz DGHYSQNZMNBDHJ-VIFPVBQESA-N 1 2 243.282 1.050 20 0 BDADLO COC(=O)[C@H]([NH2+]C/C=C\Cl)C1CCOCC1 ZINC000880334135 591007375 /nfs/dbraw/zinc/00/73/75/591007375.db2.gz DIKHRWSQDOSJIY-XJIUSYNZSA-N 1 2 247.722 1.297 20 0 BDADLO CCN(C#N)CC[NH2+]C1(c2ncccn2)CCC1 ZINC000880368199 591011854 /nfs/dbraw/zinc/01/18/54/591011854.db2.gz RUIKJWPSJVGYQX-UHFFFAOYSA-N 1 2 245.330 1.248 20 0 BDADLO c1nonc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880458755 591049725 /nfs/dbraw/zinc/04/97/25/591049725.db2.gz KQBMXVHOGGDXIK-UHFFFAOYSA-N 1 2 237.303 1.605 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880483180 591056911 /nfs/dbraw/zinc/05/69/11/591056911.db2.gz BYYKPIXRZMKQKP-JTQLQIEISA-N 1 2 237.303 1.145 20 0 BDADLO CCCCc1noc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880483180 591056914 /nfs/dbraw/zinc/05/69/14/591056914.db2.gz BYYKPIXRZMKQKP-JTQLQIEISA-N 1 2 237.303 1.145 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000880493765 591071502 /nfs/dbraw/zinc/07/15/02/591071502.db2.gz FEFMWKYGCFEWEK-LLVKDONJSA-N 1 2 220.272 1.285 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1coc(C2CC2)n1 ZINC000880493765 591071507 /nfs/dbraw/zinc/07/15/07/591071507.db2.gz FEFMWKYGCFEWEK-LLVKDONJSA-N 1 2 220.272 1.285 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1scnc1Cl ZINC000880494905 591072839 /nfs/dbraw/zinc/07/28/39/591072839.db2.gz VTUQYFMIDUHSQD-SSDOTTSWSA-N 1 2 230.720 1.529 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1scnc1Cl ZINC000880494905 591072842 /nfs/dbraw/zinc/07/28/42/591072842.db2.gz VTUQYFMIDUHSQD-SSDOTTSWSA-N 1 2 230.720 1.529 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1scnc1Cl ZINC000880494906 591073498 /nfs/dbraw/zinc/07/34/98/591073498.db2.gz VTUQYFMIDUHSQD-ZETCQYMHSA-N 1 2 230.720 1.529 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1scnc1Cl ZINC000880494906 591073507 /nfs/dbraw/zinc/07/35/07/591073507.db2.gz VTUQYFMIDUHSQD-ZETCQYMHSA-N 1 2 230.720 1.529 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCC[C@]23CCCO3)no1 ZINC000880511230 591083015 /nfs/dbraw/zinc/08/30/15/591083015.db2.gz KOMJKWIQGGEISZ-PWSUYJOCSA-N 1 2 237.303 1.569 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccno1 ZINC000880587404 591102114 /nfs/dbraw/zinc/10/21/14/591102114.db2.gz CGYCRTVKJWYCKI-JTQLQIEISA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1ccno1 ZINC000880587404 591102116 /nfs/dbraw/zinc/10/21/16/591102116.db2.gz CGYCRTVKJWYCKI-JTQLQIEISA-N 1 2 225.292 1.006 20 0 BDADLO Cc1coc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000880722548 591127499 /nfs/dbraw/zinc/12/74/99/591127499.db2.gz SCBMVAIZRPSNPW-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO OCCCCCCc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000880948090 591154230 /nfs/dbraw/zinc/15/42/30/591154230.db2.gz SVIPMLLGGWQSQR-UHFFFAOYSA-N 1 2 249.318 1.145 20 0 BDADLO CCc1cc(C(=O)Nc2cc[nH+]cc2C)no1 ZINC000888852055 591154297 /nfs/dbraw/zinc/15/42/97/591154297.db2.gz GRMWTBMPTLASGH-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO CCCC(=O)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000881223561 591174346 /nfs/dbraw/zinc/17/43/46/591174346.db2.gz RDEYDGDFXALJJZ-UHFFFAOYSA-N 1 2 233.275 1.043 20 0 BDADLO OC1(c2cn(Cc3c[nH]c[nH+]3)nn2)CCCCC1 ZINC000881289236 591181477 /nfs/dbraw/zinc/18/14/77/591181477.db2.gz LPNUVMOAPSEOCS-UHFFFAOYSA-N 1 2 247.302 1.201 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc([C@@H]2CCOC2)nn1 ZINC000881312264 591186910 /nfs/dbraw/zinc/18/69/10/591186910.db2.gz HQBVXJKRPKEPFI-LLVKDONJSA-N 1 2 244.298 1.534 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc([C@H]2CCOC2)nn1 ZINC000881312265 591187107 /nfs/dbraw/zinc/18/71/07/591187107.db2.gz HQBVXJKRPKEPFI-NSHDSACASA-N 1 2 244.298 1.534 20 0 BDADLO Cc1ccc(Cn2cc([C@@H](C)O)nn2)c(C)[nH+]1 ZINC000881327263 591192225 /nfs/dbraw/zinc/19/22/25/591192225.db2.gz GPUNORKUGYZJFB-SNVBAGLBSA-N 1 2 232.287 1.392 20 0 BDADLO C/C=C/c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365423 591196401 /nfs/dbraw/zinc/19/64/01/591196401.db2.gz DALJSFNQTCQBHB-SNAWJCMRSA-N 1 2 243.314 1.821 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000881495608 591218755 /nfs/dbraw/zinc/21/87/55/591218755.db2.gz LXDZOAYAOYUHGU-NWDGAFQWSA-N 1 2 245.326 1.528 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1C=CCC1)n1cc[nH+]c1 ZINC000881500686 591223254 /nfs/dbraw/zinc/22/32/54/591223254.db2.gz JGOHMOYTVYNYHZ-RYUDHWBXSA-N 1 2 233.315 1.917 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@@]1(C)CC1(C)C ZINC000881542614 591235747 /nfs/dbraw/zinc/23/57/47/591235747.db2.gz ASYUDBSCKBQWKQ-CQSZACIVSA-N 1 2 249.358 1.905 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000881564283 591240163 /nfs/dbraw/zinc/24/01/63/591240163.db2.gz QGVJHQCCCWTQQT-AAOUONPWSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C/CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000881566398 591240710 /nfs/dbraw/zinc/24/07/10/591240710.db2.gz ADJWOTGNSUNAIS-ONEGZZNKSA-N 1 2 219.288 1.591 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000881566379 591240994 /nfs/dbraw/zinc/24/09/94/591240994.db2.gz ZKYNEGBRHCMKMU-AAOUONPWSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000881566831 591241417 /nfs/dbraw/zinc/24/14/17/591241417.db2.gz HETZDRWIZWKVDJ-DLRQAJBASA-N 1 2 245.326 1.763 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000881566831 591241418 /nfs/dbraw/zinc/24/14/18/591241418.db2.gz HETZDRWIZWKVDJ-DLRQAJBASA-N 1 2 245.326 1.763 20 0 BDADLO CCCNC(=O)CCNc1nc[nH+]c(C)c1C ZINC000881834093 591273572 /nfs/dbraw/zinc/27/35/72/591273572.db2.gz KIMJBOOPAHAUIK-UHFFFAOYSA-N 1 2 236.319 1.422 20 0 BDADLO Cc1[nH+]cnc(NCCNc2cnccn2)c1C ZINC000881844568 591274238 /nfs/dbraw/zinc/27/42/38/591274238.db2.gz XPNHCJGRLMZTTL-UHFFFAOYSA-N 1 2 244.302 1.407 20 0 BDADLO Cc1[nH+]cnc(NCC2CCOCC2)c1C ZINC000881874627 591276199 /nfs/dbraw/zinc/27/61/99/591276199.db2.gz LTPYDXRHGPCGLL-UHFFFAOYSA-N 1 2 221.304 1.932 20 0 BDADLO Cc1[nH+]cnc(NCC[C@H](O)C(F)(F)F)c1C ZINC000881973798 591284940 /nfs/dbraw/zinc/28/49/40/591284940.db2.gz RODGBYGLTHJUEQ-QMMMGPOBSA-N 1 2 249.236 1.819 20 0 BDADLO CS[C@H](CO)[C@@H](C)Nc1nc[nH+]c(C)c1C ZINC000882004205 591286707 /nfs/dbraw/zinc/28/67/07/591286707.db2.gz AJCGEKFTUXAUGS-NXEZZACHSA-N 1 2 241.360 1.618 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCC(=O)N(C)C2)c1C ZINC000881999604 591286759 /nfs/dbraw/zinc/28/67/59/591286759.db2.gz LXRLTBBUQSEDMC-JTQLQIEISA-N 1 2 234.303 1.126 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](C)C[C@H](C)O)c1C ZINC000882007677 591287346 /nfs/dbraw/zinc/28/73/46/591287346.db2.gz LTUHMJAWVOIUCW-IUCAKERBSA-N 1 2 223.320 1.912 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](C)C[C@H](C)O)c1C ZINC000882007675 591287577 /nfs/dbraw/zinc/28/75/77/591287577.db2.gz LTUHMJAWVOIUCW-BDAKNGLRSA-N 1 2 223.320 1.912 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCCN(C(N)=O)C2)c1C ZINC000882036060 591289985 /nfs/dbraw/zinc/28/99/85/591289985.db2.gz VGFUOVMYJCGSDL-JTQLQIEISA-N 1 2 249.318 1.048 20 0 BDADLO Cc1[nH+]cnc(NCc2nccc(N)n2)c1C ZINC000882094887 591297039 /nfs/dbraw/zinc/29/70/39/591297039.db2.gz VEQKNLMEPXZHOR-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1[nH+]cnc(NCC[C@H](C)[S@@](C)=O)c1C ZINC000882107480 591299271 /nfs/dbraw/zinc/29/92/71/591299271.db2.gz WLMJVDTUJVZEEV-ZKANADHPSA-N 1 2 241.360 1.662 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]([C@@H]3CCOC3)C2)c1C ZINC000882125100 591301509 /nfs/dbraw/zinc/30/15/09/591301509.db2.gz MGPOPPJXYULGCM-CHWSQXEVSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH+]cnc(NCCC(C)(C)O)c1C ZINC000882204423 591315901 /nfs/dbraw/zinc/31/59/01/591315901.db2.gz PLWDQXPUWRBFJU-UHFFFAOYSA-N 1 2 209.293 1.666 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]cc2F)[C@@H]1C ZINC000882242909 591320564 /nfs/dbraw/zinc/32/05/64/591320564.db2.gz XYDVGZNAXQYBAF-RKDXNWHRSA-N 1 2 238.262 1.609 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]cc2F)[C@H]1C ZINC000882242906 591320656 /nfs/dbraw/zinc/32/06/56/591320656.db2.gz XYDVGZNAXQYBAF-DTWKUNHWSA-N 1 2 238.262 1.609 20 0 BDADLO Cc1[nH+]cnc(NCc2ncnn2C(C)C)c1C ZINC000882285260 591326639 /nfs/dbraw/zinc/32/66/39/591326639.db2.gz ISCHIOZPDHZIBC-UHFFFAOYSA-N 1 2 246.318 1.878 20 0 BDADLO Cc1[nH+]cnc(NCC2([S@](C)=O)CC2)c1C ZINC000882314125 591329642 /nfs/dbraw/zinc/32/96/42/591329642.db2.gz NWVNPVUQIKEMSN-INIZCTEOSA-N 1 2 239.344 1.416 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@H](C)CCO)c1C ZINC000882407194 591344366 /nfs/dbraw/zinc/34/43/66/591344366.db2.gz HJVMBXMCEUZBDI-SECBINFHSA-N 1 2 223.320 1.914 20 0 BDADLO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000882491795 591369250 /nfs/dbraw/zinc/36/92/50/591369250.db2.gz MEMBKONVIMLWFV-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000882491795 591369254 /nfs/dbraw/zinc/36/92/54/591369254.db2.gz MEMBKONVIMLWFV-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491795 591369258 /nfs/dbraw/zinc/36/92/58/591369258.db2.gz MEMBKONVIMLWFV-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491795 591369260 /nfs/dbraw/zinc/36/92/60/591369260.db2.gz MEMBKONVIMLWFV-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO Cc1[nH+]cnc(N2CCC(C3(O)CC3)CC2)c1C ZINC000882524649 591382757 /nfs/dbraw/zinc/38/27/57/591382757.db2.gz XHMBDUMRDBAISD-UHFFFAOYSA-N 1 2 247.342 1.835 20 0 BDADLO Cc1ncnc(N(C)Cc2c[nH+]c[nH]2)c1C ZINC000882574080 591391278 /nfs/dbraw/zinc/39/12/78/591391278.db2.gz AJXFTCCYYMUHPZ-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO COC[C@@H](CCNc1nc[nH+]c(C)c1C)OC ZINC000882578444 591394550 /nfs/dbraw/zinc/39/45/50/591394550.db2.gz QJFQYKSILQJKMT-LLVKDONJSA-N 1 2 239.319 1.557 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000882681648 591411849 /nfs/dbraw/zinc/41/18/49/591411849.db2.gz POTNHULQKWFYJH-JZKMBYMZSA-N 1 2 246.310 1.409 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1ccnn1C ZINC000882706139 591415885 /nfs/dbraw/zinc/41/58/85/591415885.db2.gz MBFLREQDBVVNHL-SECBINFHSA-N 1 2 232.287 1.481 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC000882715521 591419800 /nfs/dbraw/zinc/41/98/00/591419800.db2.gz FXHRNNJYTDAPFB-AVGNSLFASA-N 1 2 248.326 1.943 20 0 BDADLO FC[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000882838991 591449742 /nfs/dbraw/zinc/44/97/42/591449742.db2.gz CZPXGTBECWKFPE-VIFPVBQESA-N 1 2 236.294 1.847 20 0 BDADLO FC[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000882838991 591449743 /nfs/dbraw/zinc/44/97/43/591449743.db2.gz CZPXGTBECWKFPE-VIFPVBQESA-N 1 2 236.294 1.847 20 0 BDADLO CSc1ccc(C[NH2+]Cc2nncn2C)o1 ZINC000882888259 591464129 /nfs/dbraw/zinc/46/41/29/591464129.db2.gz UVFIYFIDNHMYBX-UHFFFAOYSA-N 1 2 238.316 1.420 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccccc2CO)no1 ZINC000882917716 591474832 /nfs/dbraw/zinc/47/48/32/591474832.db2.gz TWVKSVBLQZWDBC-UHFFFAOYSA-N 1 2 232.283 1.765 20 0 BDADLO CO[C@H]1COCC[C@@H]1N(C)c1cc(C)[nH+]cn1 ZINC000882937696 591478630 /nfs/dbraw/zinc/47/86/30/591478630.db2.gz SQIXRUYDGCSMMA-QWRGUYRKSA-N 1 2 237.303 1.025 20 0 BDADLO CC(C)c1nc(N2CC=C[C@@H]2CO)cc[nH+]1 ZINC000882976636 591489987 /nfs/dbraw/zinc/48/99/87/591489987.db2.gz IYKXHLCDEJMGOH-SNVBAGLBSA-N 1 2 219.288 1.337 20 0 BDADLO COC(=O)C(C)(C)NCc1[nH]cc(C(C)C)[nH+]1 ZINC000882991423 591495928 /nfs/dbraw/zinc/49/59/28/591495928.db2.gz ZLDBQRNSXNWLDX-UHFFFAOYSA-N 1 2 239.319 1.574 20 0 BDADLO Cc1cc(C)cc(OCCO[NH+]=C(N)CO)c1 ZINC000883010100 591511403 /nfs/dbraw/zinc/51/14/03/591511403.db2.gz DXNXDFRHZZMZCP-UHFFFAOYSA-N 1 2 238.287 1.173 20 0 BDADLO NC(CO)=[NH+]O[C@@H]1CCCc2ccc(F)cc21 ZINC000883011782 591511711 /nfs/dbraw/zinc/51/17/11/591511711.db2.gz JBFIHWQIEXEYRS-LLVKDONJSA-N 1 2 238.262 1.694 20 0 BDADLO Cc1nc(C(C)C)ccc1CO[NH+]=C(N)CO ZINC000883012475 591512155 /nfs/dbraw/zinc/51/21/55/591512155.db2.gz HWDNCBFFBCFSTP-UHFFFAOYSA-N 1 2 237.303 1.504 20 0 BDADLO NC(CO)=[NH+]OCCSCc1ccccc1 ZINC000883012586 591512469 /nfs/dbraw/zinc/51/24/69/591512469.db2.gz LFRIVHLQHXIJAY-UHFFFAOYSA-N 1 2 240.328 1.411 20 0 BDADLO CC1(C)C[C@@H](CO[NH+]=C(N)CO)C(C)(C)O1 ZINC000883013404 591513748 /nfs/dbraw/zinc/51/37/48/591513748.db2.gz NMENHTYJHJBPMX-QMMMGPOBSA-N 1 2 230.308 1.071 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H]1C=CCC1 ZINC000883035859 591522868 /nfs/dbraw/zinc/52/28/68/591522868.db2.gz RCPGEAXVJKZKEW-GFCCVEGCSA-N 1 2 248.330 1.539 20 0 BDADLO CN1CCC[C@@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883047799 591528333 /nfs/dbraw/zinc/52/83/33/591528333.db2.gz AZRCUEOEGVDCIA-LLVKDONJSA-N 1 2 247.298 1.154 20 0 BDADLO Cc1ccc(Cn2c(=O)cccc2CO)c(C)[nH+]1 ZINC000883051911 591529002 /nfs/dbraw/zinc/52/90/02/591529002.db2.gz SMBNBWDABDDECD-UHFFFAOYSA-N 1 2 244.294 1.401 20 0 BDADLO O=c1oc2ccc(C[NH2+]CC(F)F)cc2o1 ZINC000883118196 591542802 /nfs/dbraw/zinc/54/28/02/591542802.db2.gz QIUGRHIHCQKKQH-UHFFFAOYSA-N 1 2 229.182 1.741 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnsn1 ZINC000131474769 591611269 /nfs/dbraw/zinc/61/12/69/591611269.db2.gz HRYRMUNQVRBEIG-UHFFFAOYSA-N 1 2 236.256 1.194 20 0 BDADLO Cc1cc(NCc2cn(C)nn2)c[nH+]c1C ZINC000883342137 591615765 /nfs/dbraw/zinc/61/57/65/591615765.db2.gz LRYHIQRROAAXLJ-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1cc(NC2CCN(C(N)=O)CC2)c[nH+]c1C ZINC000883341774 591620376 /nfs/dbraw/zinc/62/03/76/591620376.db2.gz ZGHHXWMCLPZPEV-UHFFFAOYSA-N 1 2 248.330 1.653 20 0 BDADLO CCn1c[nH+]cc1CNc1nn(C)cc1Cl ZINC000883372734 591634905 /nfs/dbraw/zinc/63/49/05/591634905.db2.gz LXUAIPZRMNXIJR-UHFFFAOYSA-N 1 2 239.710 1.902 20 0 BDADLO CCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800087763 591819530 /nfs/dbraw/zinc/81/95/30/591819530.db2.gz WQLRMARZHITOQT-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800087763 591819532 /nfs/dbraw/zinc/81/95/32/591819532.db2.gz WQLRMARZHITOQT-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)c2ccco2)CCO1 ZINC000800087350 591819913 /nfs/dbraw/zinc/81/99/13/591819913.db2.gz GTRYFQNZXZBUCH-SNVBAGLBSA-N 1 2 239.271 1.157 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)c2ccco2)CCO1 ZINC000800087350 591819916 /nfs/dbraw/zinc/81/99/16/591819916.db2.gz GTRYFQNZXZBUCH-SNVBAGLBSA-N 1 2 239.271 1.157 20 0 BDADLO CCC/C=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800138866 591826860 /nfs/dbraw/zinc/82/68/60/591826860.db2.gz YRUDAAAIIRPPCL-FOQNGQEVSA-N 1 2 241.331 1.607 20 0 BDADLO CCC/C=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800138866 591826861 /nfs/dbraw/zinc/82/68/61/591826861.db2.gz YRUDAAAIIRPPCL-FOQNGQEVSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)C(F)F ZINC000800217762 591842391 /nfs/dbraw/zinc/84/23/91/591842391.db2.gz HTGGNYJFLDPUNV-OCAPTIKFSA-N 1 2 249.257 1.237 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)C(F)F ZINC000800217762 591842393 /nfs/dbraw/zinc/84/23/93/591842393.db2.gz HTGGNYJFLDPUNV-OCAPTIKFSA-N 1 2 249.257 1.237 20 0 BDADLO CN(CCCF)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000884381002 591920526 /nfs/dbraw/zinc/92/05/26/591920526.db2.gz RXVUBHQNBAZTHI-SECBINFHSA-N 1 2 240.282 1.329 20 0 BDADLO CCc1nc(N2CCC[C@@](C)(O)CC2)cc[nH+]1 ZINC000884491948 591954818 /nfs/dbraw/zinc/95/48/18/591954818.db2.gz IRRPUADEYKNZLJ-CYBMUJFWSA-N 1 2 235.331 1.780 20 0 BDADLO CCc1nc(NCCC[C@@H](C)O)cc[nH+]1 ZINC000884489939 591955109 /nfs/dbraw/zinc/95/51/09/591955109.db2.gz KNZDFNAHORRQFO-SECBINFHSA-N 1 2 209.293 1.612 20 0 BDADLO CCc1nc(N2CCC23CCOCC3)cc[nH+]1 ZINC000884487280 591955120 /nfs/dbraw/zinc/95/51/20/591955120.db2.gz QEWWPPBMMCFAKJ-UHFFFAOYSA-N 1 2 233.315 1.798 20 0 BDADLO CCc1nc(N2C[C@@H](O)C(C)(C)C2)cc[nH+]1 ZINC000884491038 591955152 /nfs/dbraw/zinc/95/51/52/591955152.db2.gz LTVOPMIAOMTIEJ-SECBINFHSA-N 1 2 221.304 1.246 20 0 BDADLO CCc1nc(NC2(CCO)CC2)cc[nH+]1 ZINC000884515896 591963417 /nfs/dbraw/zinc/96/34/17/591963417.db2.gz VYUTUDATPRCSQB-UHFFFAOYSA-N 1 2 207.277 1.366 20 0 BDADLO CCc1nc(N2CC[C@@H](CO)[C@H]2CC)cc[nH+]1 ZINC000884519530 591963714 /nfs/dbraw/zinc/96/37/14/591963714.db2.gz VGEBFOHREALYKQ-WDEREUQCSA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nccc(NCCc2cn(C)c[nH+]2)n1 ZINC000884526745 591966716 /nfs/dbraw/zinc/96/67/16/591966716.db2.gz CAVOXLAPQYYEME-UHFFFAOYSA-N 1 2 231.303 1.427 20 0 BDADLO CCc1nc(N2Cc3cncnc3C2)cc[nH+]1 ZINC000884534902 591970572 /nfs/dbraw/zinc/97/05/72/591970572.db2.gz QYSAIDSWEOOWQA-UHFFFAOYSA-N 1 2 227.271 1.349 20 0 BDADLO CCc1nc(NC[C@H](CC)C(=O)OC)cc[nH+]1 ZINC000884543154 591973520 /nfs/dbraw/zinc/97/35/20/591973520.db2.gz WLRGVBASQUYHMT-VIFPVBQESA-N 1 2 237.303 1.650 20 0 BDADLO CCc1nc(N(C)[C@@H](C)CCO)cc[nH+]1 ZINC000884546493 591975068 /nfs/dbraw/zinc/97/50/68/591975068.db2.gz MCUBROSLZDUNFX-VIFPVBQESA-N 1 2 209.293 1.246 20 0 BDADLO Cc1cnc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000884555331 591977383 /nfs/dbraw/zinc/97/73/83/591977383.db2.gz PBXPNYQSHBOSCH-KOLCDFICSA-N 1 2 239.319 1.504 20 0 BDADLO Cc1cnc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000884555331 591977386 /nfs/dbraw/zinc/97/73/86/591977386.db2.gz PBXPNYQSHBOSCH-KOLCDFICSA-N 1 2 239.319 1.504 20 0 BDADLO CCc1nc(N2C[C@H](C)[C@@](C)(CO)C2)cc[nH+]1 ZINC000884560157 591980708 /nfs/dbraw/zinc/98/07/08/591980708.db2.gz OOUDISWBESERRH-GXFFZTMASA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N2CCC[C@H]2C(=O)N(C)C)cc[nH+]1 ZINC000884564550 591982376 /nfs/dbraw/zinc/98/23/76/591982376.db2.gz KAOSOQLLYPWYLO-JTQLQIEISA-N 1 2 248.330 1.096 20 0 BDADLO CCc1nc(N(C)C[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000884566218 591983703 /nfs/dbraw/zinc/98/37/03/591983703.db2.gz DJLZSTNLHLCDNW-AOOOYVTPSA-N 1 2 221.304 1.246 20 0 BDADLO CCc1nc(N2CCC[C@](O)(CC)C2)cc[nH+]1 ZINC000884571363 591983924 /nfs/dbraw/zinc/98/39/24/591983924.db2.gz NJUCLFJZOUZZRO-CYBMUJFWSA-N 1 2 235.331 1.780 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000884751034 592016893 /nfs/dbraw/zinc/01/68/93/592016893.db2.gz INMUZSQJPVBNNM-STQMWFEESA-N 1 2 248.326 1.579 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000885985603 592121812 /nfs/dbraw/zinc/12/18/12/592121812.db2.gz LTTPCOGLEGWVPJ-JQWIXIFHSA-N 1 2 249.301 1.627 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000885985603 592121814 /nfs/dbraw/zinc/12/18/14/592121814.db2.gz LTTPCOGLEGWVPJ-JQWIXIFHSA-N 1 2 249.301 1.627 20 0 BDADLO O=S1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886005560 592127293 /nfs/dbraw/zinc/12/72/93/592127293.db2.gz DPUSJSMIDVLSHL-RYUDHWBXSA-N 1 2 243.372 1.008 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886008707 592130485 /nfs/dbraw/zinc/13/04/85/592130485.db2.gz STYWSUBCSFFYAB-OLZOCXBDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886008707 592130488 /nfs/dbraw/zinc/13/04/88/592130488.db2.gz STYWSUBCSFFYAB-OLZOCXBDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@](C)(O)C(F)F ZINC000886019241 592133179 /nfs/dbraw/zinc/13/31/79/592133179.db2.gz OZHMHOHXWZKIOO-VIFPVBQESA-N 1 2 220.219 1.123 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@](C)(O)C(F)F ZINC000886019241 592133181 /nfs/dbraw/zinc/13/31/81/592133181.db2.gz OZHMHOHXWZKIOO-VIFPVBQESA-N 1 2 220.219 1.123 20 0 BDADLO C[C@]1([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CCOC1=O ZINC000886210911 592177309 /nfs/dbraw/zinc/17/73/09/592177309.db2.gz FBSWZOHQHBUQKM-WZRBSPASSA-N 1 2 239.315 1.239 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CCOC1=O ZINC000886210908 592177410 /nfs/dbraw/zinc/17/74/10/592177410.db2.gz FBSWZOHQHBUQKM-GVXVVHGQSA-N 1 2 239.315 1.239 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)s1 ZINC000886249426 592186214 /nfs/dbraw/zinc/18/62/14/592186214.db2.gz JYECAVKFOIELHA-KCJUWKMLSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)s1 ZINC000886249426 592186216 /nfs/dbraw/zinc/18/62/16/592186216.db2.gz JYECAVKFOIELHA-KCJUWKMLSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)s1 ZINC000886249425 592186699 /nfs/dbraw/zinc/18/66/99/592186699.db2.gz JYECAVKFOIELHA-GZMMTYOYSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)s1 ZINC000886249425 592186700 /nfs/dbraw/zinc/18/67/00/592186700.db2.gz JYECAVKFOIELHA-GZMMTYOYSA-N 1 2 242.344 1.033 20 0 BDADLO c1n[nH]cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886269233 592191714 /nfs/dbraw/zinc/19/17/14/592191714.db2.gz OYEWPWGKBAGYHK-UHFFFAOYSA-N 1 2 218.260 1.565 20 0 BDADLO Cc1c[nH]c(CNCc2cc(C3CC3)no2)[nH+]1 ZINC000886269153 592192205 /nfs/dbraw/zinc/19/22/05/592192205.db2.gz NHGUCBMJXPBAJO-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO C([C@H]1C[C@@]12CCOC2)[N@@H+]1OC2CCC1CC2 ZINC000886311860 592204979 /nfs/dbraw/zinc/20/49/79/592204979.db2.gz KEUBPJXZKGZOAX-IKWCTNDRSA-N 1 2 223.316 1.971 20 0 BDADLO C([C@H]1C[C@@]12CCOC2)[N@H+]1OC2CCC1CC2 ZINC000886311860 592204980 /nfs/dbraw/zinc/20/49/80/592204980.db2.gz KEUBPJXZKGZOAX-IKWCTNDRSA-N 1 2 223.316 1.971 20 0 BDADLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344788 592212985 /nfs/dbraw/zinc/21/29/85/592212985.db2.gz LKSOVNVVHJGLBB-CWSCBRNRSA-N 1 2 249.285 1.992 20 0 BDADLO COC(=O)[C@H](c1ccccc1F)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344788 592212986 /nfs/dbraw/zinc/21/29/86/592212986.db2.gz LKSOVNVVHJGLBB-CWSCBRNRSA-N 1 2 249.285 1.992 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348897 592214341 /nfs/dbraw/zinc/21/43/41/592214341.db2.gz UUKREOCFGJTYSL-AOOOYVTPSA-N 1 2 219.288 1.789 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348897 592214343 /nfs/dbraw/zinc/21/43/43/592214343.db2.gz UUKREOCFGJTYSL-AOOOYVTPSA-N 1 2 219.288 1.789 20 0 BDADLO FC(F)Cn1ccnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348853 592214361 /nfs/dbraw/zinc/21/43/61/592214361.db2.gz UHMVESFABHKKEY-DTORHVGOSA-N 1 2 227.258 1.600 20 0 BDADLO FC(F)Cn1ccnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348853 592214362 /nfs/dbraw/zinc/21/43/62/592214362.db2.gz UHMVESFABHKKEY-DTORHVGOSA-N 1 2 227.258 1.600 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](CO)c1ccccc1C ZINC000886431830 592225207 /nfs/dbraw/zinc/22/52/07/592225207.db2.gz IBMIQBWKYPCEJC-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](CO)c1ccccc1C ZINC000886431830 592225208 /nfs/dbraw/zinc/22/52/08/592225208.db2.gz IBMIQBWKYPCEJC-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cc[nH]n1 ZINC000886441575 592226391 /nfs/dbraw/zinc/22/63/91/592226391.db2.gz AHIHYTFMTOKUCV-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cc[nH]n1 ZINC000886441575 592226393 /nfs/dbraw/zinc/22/63/93/592226393.db2.gz AHIHYTFMTOKUCV-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1cccc(C[N@@H+]2CCCn3nncc3C2)n1 ZINC000886455680 592227097 /nfs/dbraw/zinc/22/70/97/592227097.db2.gz XMWAMOCZUOKEOA-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO Cc1cccc(C[N@H+]2CCCn3nncc3C2)n1 ZINC000886455680 592227099 /nfs/dbraw/zinc/22/70/99/592227099.db2.gz XMWAMOCZUOKEOA-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ccn[nH]1)c1cnn(C)c1 ZINC000886524255 592245661 /nfs/dbraw/zinc/24/56/61/592245661.db2.gz HBFUIYOGFKTTDB-LBPRGKRZSA-N 1 2 233.319 1.630 20 0 BDADLO C[C@H](NCC[NH+]1CCSCC1)c1ncco1 ZINC000886533062 592248883 /nfs/dbraw/zinc/24/88/83/592248883.db2.gz UEYLDHOEKHGKHF-JTQLQIEISA-N 1 2 241.360 1.374 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC000886608585 592274235 /nfs/dbraw/zinc/27/42/35/592274235.db2.gz BPDSRUURAPTQKK-LBPRGKRZSA-N 1 2 248.334 1.036 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)c1cc[nH]c1)C2 ZINC000886621174 592277959 /nfs/dbraw/zinc/27/79/59/592277959.db2.gz DJUYSYDHOBDTLL-UHFFFAOYSA-N 1 2 244.298 1.430 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)no1 ZINC000886680308 592300894 /nfs/dbraw/zinc/30/08/94/592300894.db2.gz BAHAGWQYTNHKGK-LLVKDONJSA-N 1 2 244.298 1.844 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)no1 ZINC000886680308 592300901 /nfs/dbraw/zinc/30/09/01/592300901.db2.gz BAHAGWQYTNHKGK-LLVKDONJSA-N 1 2 244.298 1.844 20 0 BDADLO C[C@@H](N[C@@H](CCO)C(F)(F)F)c1[nH]cc[nH+]1 ZINC000886801442 592332832 /nfs/dbraw/zinc/33/28/32/592332832.db2.gz NLLPUNBOUIJJME-RQJHMYQMSA-N 1 2 237.225 1.374 20 0 BDADLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCCF ZINC000886962721 592401982 /nfs/dbraw/zinc/40/19/82/592401982.db2.gz CRZFVAXFFNRBKW-MNOVXSKESA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCSC ZINC000887074344 592435015 /nfs/dbraw/zinc/43/50/15/592435015.db2.gz UPMJIYHUXDZLSZ-VIFPVBQESA-N 1 2 249.401 1.330 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CCCSC ZINC000887074344 592435017 /nfs/dbraw/zinc/43/50/17/592435017.db2.gz UPMJIYHUXDZLSZ-VIFPVBQESA-N 1 2 249.401 1.330 20 0 BDADLO CC[C@@H](C[N@@H+]1CCSC[C@@H]1C(=O)OC)OC ZINC000887077486 592436084 /nfs/dbraw/zinc/43/60/84/592436084.db2.gz NAUUKHIIYPLUBE-VHSXEESVSA-N 1 2 247.360 1.002 20 0 BDADLO CC[C@@H](C[N@H+]1CCSC[C@@H]1C(=O)OC)OC ZINC000887077486 592436086 /nfs/dbraw/zinc/43/60/86/592436086.db2.gz NAUUKHIIYPLUBE-VHSXEESVSA-N 1 2 247.360 1.002 20 0 BDADLO OCCCC[N@H+](CC(F)F)C1CCC1 ZINC000887098958 592442004 /nfs/dbraw/zinc/44/20/04/592442004.db2.gz KAYWBWNXNYNZBM-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO OCCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887098958 592442007 /nfs/dbraw/zinc/44/20/07/592442007.db2.gz KAYWBWNXNYNZBM-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887098956 592442060 /nfs/dbraw/zinc/44/20/60/592442060.db2.gz JWGDUCUUMPFEED-VIFPVBQESA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887098956 592442064 /nfs/dbraw/zinc/44/20/64/592442064.db2.gz JWGDUCUUMPFEED-VIFPVBQESA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCCF ZINC000887141405 592456936 /nfs/dbraw/zinc/45/69/36/592456936.db2.gz RPEHISYUGTYPAE-QMMMGPOBSA-N 1 2 227.287 1.360 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCCF ZINC000887141405 592456941 /nfs/dbraw/zinc/45/69/41/592456941.db2.gz RPEHISYUGTYPAE-QMMMGPOBSA-N 1 2 227.287 1.360 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+](C)CCCF ZINC000887142659 592459947 /nfs/dbraw/zinc/45/99/47/592459947.db2.gz VCQCKCRVJMXHGW-UHFFFAOYSA-N 1 2 226.299 1.484 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCCF ZINC000887142659 592459949 /nfs/dbraw/zinc/45/99/49/592459949.db2.gz VCQCKCRVJMXHGW-UHFFFAOYSA-N 1 2 226.299 1.484 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC000887236096 592468184 /nfs/dbraw/zinc/46/81/84/592468184.db2.gz YYYWSBLQRCNHAU-SECBINFHSA-N 1 2 223.276 1.270 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC000887236096 592468185 /nfs/dbraw/zinc/46/81/85/592468185.db2.gz YYYWSBLQRCNHAU-SECBINFHSA-N 1 2 223.276 1.270 20 0 BDADLO CCc1cnc(NC(=O)Cc2c[nH+]cn2C)o1 ZINC000887237127 592468942 /nfs/dbraw/zinc/46/89/42/592468942.db2.gz IHVXOTKRHSYXNH-UHFFFAOYSA-N 1 2 234.259 1.152 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)o1 ZINC000887237149 592469343 /nfs/dbraw/zinc/46/93/43/592469343.db2.gz JGGUDKFVFPIEGF-LLVKDONJSA-N 1 2 249.314 1.802 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)o1 ZINC000887237149 592469345 /nfs/dbraw/zinc/46/93/45/592469345.db2.gz JGGUDKFVFPIEGF-LLVKDONJSA-N 1 2 249.314 1.802 20 0 BDADLO Cc1oc(NC(=O)Cc2[nH]cc[nH+]2)nc1C1CC1 ZINC000887241290 592471060 /nfs/dbraw/zinc/47/10/60/592471060.db2.gz LYLKLNQCDSZYKY-UHFFFAOYSA-N 1 2 246.270 1.765 20 0 BDADLO c1cn(Cc2cc([C@@H]3CCCO3)no2)c[nH+]1 ZINC000887268362 592473222 /nfs/dbraw/zinc/47/32/22/592473222.db2.gz JNUUAGRWWSIXLL-NSHDSACASA-N 1 2 219.244 1.771 20 0 BDADLO c1cn(Cc2cc([C@H]3CCCO3)no2)c[nH+]1 ZINC000887268361 592473370 /nfs/dbraw/zinc/47/33/70/592473370.db2.gz JNUUAGRWWSIXLL-LLVKDONJSA-N 1 2 219.244 1.771 20 0 BDADLO CCn1cc(C[N@H+](C)[C@H](C)c2cccnc2)nn1 ZINC000887555406 592525126 /nfs/dbraw/zinc/52/51/26/592525126.db2.gz IXYXUFLPALDNDQ-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@H](C)c2cccnc2)nn1 ZINC000887555406 592525127 /nfs/dbraw/zinc/52/51/27/592525127.db2.gz IXYXUFLPALDNDQ-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@H](C(F)F)C2)nn1 ZINC000887553606 592525489 /nfs/dbraw/zinc/52/54/89/592525489.db2.gz FPSNESWNDRBKLA-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@H](C(F)F)C2)nn1 ZINC000887553606 592525490 /nfs/dbraw/zinc/52/54/90/592525490.db2.gz FPSNESWNDRBKLA-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)nn1 ZINC000887554627 592525830 /nfs/dbraw/zinc/52/58/30/592525830.db2.gz XHGFCSFKRKRYTA-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)nn1 ZINC000887554627 592525832 /nfs/dbraw/zinc/52/58/32/592525832.db2.gz XHGFCSFKRKRYTA-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO COCC1CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000887878469 592556143 /nfs/dbraw/zinc/55/61/43/592556143.db2.gz FQGHHCWGCAWXPT-UHFFFAOYSA-N 1 2 249.314 1.809 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000889225198 592590356 /nfs/dbraw/zinc/59/03/56/592590356.db2.gz KNWJVSIKFZJSFF-VHSXEESVSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]2CCNC2=O)c(C)[nH+]1 ZINC000889464449 592612977 /nfs/dbraw/zinc/61/29/77/592612977.db2.gz HETGAGFXHCXRHM-SNVBAGLBSA-N 1 2 247.298 1.163 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889603626 592626842 /nfs/dbraw/zinc/62/68/42/592626842.db2.gz RGOVORWVLSVDGT-CYZMBNFOSA-N 1 2 247.342 1.658 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889613299 592629732 /nfs/dbraw/zinc/62/97/32/592629732.db2.gz YKQSWOYLLPGCAD-FPQZTECRSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889613299 592629735 /nfs/dbraw/zinc/62/97/35/592629735.db2.gz YKQSWOYLLPGCAD-FPQZTECRSA-N 1 2 247.342 1.893 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C)CC=CC2)c1 ZINC000890099620 592679234 /nfs/dbraw/zinc/67/92/34/592679234.db2.gz DCLVMLRLYJRARI-UHFFFAOYSA-N 1 2 219.288 1.393 20 0 BDADLO Cc1cnc(C(=O)NCc2cn(C)c[nH+]2)c(C)c1 ZINC000890099548 592679352 /nfs/dbraw/zinc/67/93/52/592679352.db2.gz AJYPYRTUFJIYAH-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890104028 592679958 /nfs/dbraw/zinc/67/99/58/592679958.db2.gz HAWMNXMASJSTAJ-XYPYZODXSA-N 1 2 235.331 1.863 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103068 592680537 /nfs/dbraw/zinc/68/05/37/592680537.db2.gz FULCEMQIQUCJBW-LBPRGKRZSA-N 1 2 241.310 1.955 20 0 BDADLO CCC/C=C/C(=O)NCc1cn(C)c[nH+]1 ZINC000890103674 592680565 /nfs/dbraw/zinc/68/05/65/592680565.db2.gz OPUAMLCHJPRDDL-AATRIKPKSA-N 1 2 207.277 1.393 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890106800 592681809 /nfs/dbraw/zinc/68/18/09/592681809.db2.gz DPKJUPWVUAVLRR-ZJUUUORDSA-N 1 2 249.314 1.042 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000890104561 592681831 /nfs/dbraw/zinc/68/18/31/592681831.db2.gz MESPBXMDCJAAJW-GMTAPVOTSA-N 1 2 233.315 1.473 20 0 BDADLO CCc1nc(C(=O)NCc2cn(C)c[nH+]2)c(C)o1 ZINC000890107563 592682799 /nfs/dbraw/zinc/68/27/99/592682799.db2.gz PGKRMBBSRPEADH-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)C(C)(F)F ZINC000890108103 592683545 /nfs/dbraw/zinc/68/35/45/592683545.db2.gz UMPAWVCNHYVLOK-ZETCQYMHSA-N 1 2 231.246 1.328 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109747 592683781 /nfs/dbraw/zinc/68/37/81/592683781.db2.gz RUNRPZSRSBGHEV-UWVGGRQHSA-N 1 2 223.320 1.719 20 0 BDADLO CSCCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890113665 592684422 /nfs/dbraw/zinc/68/44/22/592684422.db2.gz LHFWIMJKQYYRFX-UHFFFAOYSA-N 1 2 241.360 1.570 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)c(C)c1 ZINC000890119642 592685238 /nfs/dbraw/zinc/68/52/38/592685238.db2.gz MGPVNUVSISBSAI-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CC(C)SCC(=O)NCc1cn(C)c[nH+]1 ZINC000890117395 592685322 /nfs/dbraw/zinc/68/53/22/592685322.db2.gz QFGYCCYILIZKFV-UHFFFAOYSA-N 1 2 227.333 1.178 20 0 BDADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)c(C)o1 ZINC000890117901 592685383 /nfs/dbraw/zinc/68/53/83/592685383.db2.gz YMKVKUQVBWMDKE-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cn1c[nH+]c(CNC(=O)Cc2cccs2)c1 ZINC000890119572 592685813 /nfs/dbraw/zinc/68/58/13/592685813.db2.gz IWCDYFCLVNNQMZ-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO COCc1ccc(C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890117424 592685897 /nfs/dbraw/zinc/68/58/97/592685897.db2.gz MQDVFPWXSNLZGN-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO Cc1ccccc1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890117904 592686006 /nfs/dbraw/zinc/68/60/06/592686006.db2.gz YOIXILKJGVQMCP-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000890232714 592690601 /nfs/dbraw/zinc/69/06/01/592690601.db2.gz DTQDGOURSHFHNR-ILBNWAPMSA-N 1 2 245.326 1.834 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC23CCCC3)c[nH+]1 ZINC000890420540 592698038 /nfs/dbraw/zinc/69/80/38/592698038.db2.gz YWCWBQNLWUUMJN-LLVKDONJSA-N 1 2 249.314 1.550 20 0 BDADLO C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000895726910 636174331 /nfs/dbraw/zinc/17/43/31/636174331.db2.gz KFQXDEKRRBEQEY-NTSWFWBYSA-N 1 2 233.218 1.274 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC001027710433 635121302 /nfs/dbraw/zinc/12/13/02/635121302.db2.gz SYEGLWHGGMSZFD-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1nccs1 ZINC001027710433 635121306 /nfs/dbraw/zinc/12/13/06/635121306.db2.gz SYEGLWHGGMSZFD-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]1C1CCCC1 ZINC000889401125 635422115 /nfs/dbraw/zinc/42/21/15/635422115.db2.gz ZBJVTIPJGMTQJD-GFCCVEGCSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1nc(NC[C@@H]2COC(C)(C)O2)cc[nH+]1 ZINC000231504513 635504041 /nfs/dbraw/zinc/50/40/41/635504041.db2.gz LIXSFHFNSJFDKW-SECBINFHSA-N 1 2 223.276 1.348 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)[C@H](C)CO)c1Cl ZINC000124679233 635563837 /nfs/dbraw/zinc/56/38/37/635563837.db2.gz HTFLDHZUCSUIOK-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)[C@H](C)CO)c1Cl ZINC000124679233 635563839 /nfs/dbraw/zinc/56/38/39/635563839.db2.gz HTFLDHZUCSUIOK-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1cnnc(NCCCn2cc[nH+]c2)c1 ZINC000235975609 635592425 /nfs/dbraw/zinc/59/24/25/635592425.db2.gz TWSBQINAIRBVEM-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)no1 ZINC000074727380 631239032 /nfs/dbraw/zinc/23/90/32/631239032.db2.gz WJWWPZHBUPUTJN-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)no1 ZINC000074727380 631239037 /nfs/dbraw/zinc/23/90/37/631239037.db2.gz WJWWPZHBUPUTJN-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO CCC(CC)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308384431 631244007 /nfs/dbraw/zinc/24/40/07/631244007.db2.gz GBKQBYLLBGBKKG-UHFFFAOYSA-N 1 2 221.304 1.716 20 0 BDADLO CCc1cc(N2CCC[C@@H](CO)C2)nc(CC)[nH+]1 ZINC000891437432 631251734 /nfs/dbraw/zinc/25/17/34/631251734.db2.gz XBGUJIKZTZEUOD-LLVKDONJSA-N 1 2 249.358 1.810 20 0 BDADLO Cc1nc(C)c(C(=O)NCc2ccc(N)[nH+]c2)o1 ZINC000308393098 631309557 /nfs/dbraw/zinc/30/95/57/631309557.db2.gz RAGCRTHQUPZSBR-UHFFFAOYSA-N 1 2 246.270 1.199 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@@H](O)C2)c1F ZINC000891451246 631353334 /nfs/dbraw/zinc/35/33/34/631353334.db2.gz PITNTMKYBNOWCG-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@@H](O)C2)c1F ZINC000891451246 631353336 /nfs/dbraw/zinc/35/33/36/631353336.db2.gz PITNTMKYBNOWCG-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO COC[C@@H](C)C[NH2+]c1ccc(N)c(OC)c1 ZINC000082523648 631406078 /nfs/dbraw/zinc/40/60/78/631406078.db2.gz DYZIKPDXOCPCEX-VIFPVBQESA-N 1 2 224.304 1.972 20 0 BDADLO CCN(C(=O)c1ccccn1)C1C[NH+](CC)C1 ZINC000949567310 631463059 /nfs/dbraw/zinc/46/30/59/631463059.db2.gz AJFPKKJFBGQEMX-UHFFFAOYSA-N 1 2 233.315 1.248 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2Cc3ccccc32)n1 ZINC000090986755 631484912 /nfs/dbraw/zinc/48/49/12/631484912.db2.gz XORFXBNIRGMXNW-NSHDSACASA-N 1 2 229.283 1.867 20 0 BDADLO CN(C)c1cc(NCC2=CCCOC2)[nH+]cn1 ZINC000893867715 635633264 /nfs/dbraw/zinc/63/32/64/635633264.db2.gz QKJNNJSGNCCWNY-UHFFFAOYSA-N 1 2 234.303 1.301 20 0 BDADLO CN(C)c1cc(NCC2=CCCOC2)nc[nH+]1 ZINC000893867715 635633270 /nfs/dbraw/zinc/63/32/70/635633270.db2.gz QKJNNJSGNCCWNY-UHFFFAOYSA-N 1 2 234.303 1.301 20 0 BDADLO COCC1([NH2+][C@H](C)c2nonc2C)CC1 ZINC000925924071 635635327 /nfs/dbraw/zinc/63/53/27/635635327.db2.gz OLPGQWHNDGDIME-SSDOTTSWSA-N 1 2 211.265 1.208 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000934012902 631592897 /nfs/dbraw/zinc/59/28/97/631592897.db2.gz RVIUWQJMERDZTE-VIFPVBQESA-N 1 2 234.324 1.863 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1nc2ccccc2s1 ZINC000934012902 631592901 /nfs/dbraw/zinc/59/29/01/631592901.db2.gz RVIUWQJMERDZTE-VIFPVBQESA-N 1 2 234.324 1.863 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000934024807 631600927 /nfs/dbraw/zinc/60/09/27/631600927.db2.gz WSMOYZUQCBCJCK-VIFPVBQESA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000934024807 631600933 /nfs/dbraw/zinc/60/09/33/631600933.db2.gz WSMOYZUQCBCJCK-VIFPVBQESA-N 1 2 213.227 1.531 20 0 BDADLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934025171 631602757 /nfs/dbraw/zinc/60/27/57/631602757.db2.gz FLVVOXYJPZIZIV-LBPRGKRZSA-N 1 2 248.326 1.254 20 0 BDADLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934025171 631602763 /nfs/dbraw/zinc/60/27/63/631602763.db2.gz FLVVOXYJPZIZIV-LBPRGKRZSA-N 1 2 248.326 1.254 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000934015674 631610438 /nfs/dbraw/zinc/61/04/38/631610438.db2.gz QBHFBRMNOBSIRA-SECBINFHSA-N 1 2 217.272 1.130 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000934015674 631610445 /nfs/dbraw/zinc/61/04/45/631610445.db2.gz QBHFBRMNOBSIRA-SECBINFHSA-N 1 2 217.272 1.130 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000934028076 631626427 /nfs/dbraw/zinc/62/64/27/631626427.db2.gz XAHZMPLDFQWLSC-LLVKDONJSA-N 1 2 245.282 1.303 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC000934028076 631626434 /nfs/dbraw/zinc/62/64/34/631626434.db2.gz XAHZMPLDFQWLSC-LLVKDONJSA-N 1 2 245.282 1.303 20 0 BDADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934029280 631628090 /nfs/dbraw/zinc/62/80/90/631628090.db2.gz YOEQPVXWLGFNPK-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934029280 631628093 /nfs/dbraw/zinc/62/80/93/631628093.db2.gz YOEQPVXWLGFNPK-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO CCN(C(=O)C[N@@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934029346 631628462 /nfs/dbraw/zinc/62/84/62/631628462.db2.gz SZVYQKHFSWKNFF-CYBMUJFWSA-N 1 2 248.326 1.106 20 0 BDADLO CCN(C(=O)C[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934029346 631628471 /nfs/dbraw/zinc/62/84/71/631628471.db2.gz SZVYQKHFSWKNFF-CYBMUJFWSA-N 1 2 248.326 1.106 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934030042 631629860 /nfs/dbraw/zinc/62/98/60/631629860.db2.gz WZPYWBBXDBPTSG-CYBMUJFWSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934030042 631629864 /nfs/dbraw/zinc/62/98/64/631629864.db2.gz WZPYWBBXDBPTSG-CYBMUJFWSA-N 1 2 244.294 1.908 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nccn1C(F)F ZINC000934123517 631703413 /nfs/dbraw/zinc/70/34/13/631703413.db2.gz LRDQDGDWSDWLPM-BDAKNGLRSA-N 1 2 245.273 1.887 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nccn1C(F)F ZINC000934123517 631703416 /nfs/dbraw/zinc/70/34/16/631703416.db2.gz LRDQDGDWSDWLPM-BDAKNGLRSA-N 1 2 245.273 1.887 20 0 BDADLO CCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000308873396 631709943 /nfs/dbraw/zinc/70/99/43/631709943.db2.gz ZWXSDZWARWQONM-UHFFFAOYSA-N 1 2 208.261 1.550 20 0 BDADLO CC1(C)OCC(Nc2cccc[nH+]2)CO1 ZINC000309099473 631880824 /nfs/dbraw/zinc/88/08/24/631880824.db2.gz FCJVAVPLRQUALH-UHFFFAOYSA-N 1 2 208.261 1.645 20 0 BDADLO CC[NH2+]Cc1noc([C@H](OC)c2ccccc2)n1 ZINC000051860494 631971944 /nfs/dbraw/zinc/97/19/44/631971944.db2.gz BVBRLOZOEMEDMW-GFCCVEGCSA-N 1 2 247.298 1.915 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000253013716 635715428 /nfs/dbraw/zinc/71/54/28/635715428.db2.gz FLJZLHHTKPDPPS-OUAUKWLOSA-N 1 2 231.336 1.589 20 0 BDADLO c1ncc(CNc2ccc3c([nH+]2)CCC3)[nH]1 ZINC000127604606 632396935 /nfs/dbraw/zinc/39/69/35/632396935.db2.gz ONRVPNISDNZWAB-UHFFFAOYSA-N 1 2 214.272 1.906 20 0 BDADLO C[C@H](CO)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935067283 632434879 /nfs/dbraw/zinc/43/48/79/632434879.db2.gz CHPXEBGRPHTICR-MRVPVSSYSA-N 1 2 233.271 1.016 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cocn1)C(F)(F)F ZINC000308937425 632531027 /nfs/dbraw/zinc/53/10/27/632531027.db2.gz LFEJCBOGAPEYJE-ZETCQYMHSA-N 1 2 224.182 1.342 20 0 BDADLO C/C(=C\C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000291343113 632652550 /nfs/dbraw/zinc/65/25/50/632652550.db2.gz WUBGTIOPEZFIMA-WEVVVXLNSA-N 1 2 219.288 1.393 20 0 BDADLO CCCNc1cc(N(C)C[C@H](C)OC)nc[nH+]1 ZINC000310309505 632718950 /nfs/dbraw/zinc/71/89/50/632718950.db2.gz QCTDMUCDUVZUDM-JTQLQIEISA-N 1 2 238.335 1.770 20 0 BDADLO CCCNc1cc(N(C)C[C@H](C)OC)[nH+]cn1 ZINC000310309505 632718952 /nfs/dbraw/zinc/71/89/52/632718952.db2.gz QCTDMUCDUVZUDM-JTQLQIEISA-N 1 2 238.335 1.770 20 0 BDADLO CC[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H](C)O1 ZINC000892462219 632732587 /nfs/dbraw/zinc/73/25/87/632732587.db2.gz MUDKQICBKXVSCH-GHMZBOCLSA-N 1 2 246.314 1.733 20 0 BDADLO COc1ncccc1C[NH2+]Cc1cn(C)cn1 ZINC000310544537 632756357 /nfs/dbraw/zinc/75/63/57/632756357.db2.gz UJRRHRCYZCTBKT-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1)c1cnn(C)n1 ZINC000924534327 632762389 /nfs/dbraw/zinc/76/23/89/632762389.db2.gz QFXBMBZRXQPPIE-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO CCCCOC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000053097178 632798141 /nfs/dbraw/zinc/79/81/41/632798141.db2.gz SHHLXYILTCPCHZ-UHFFFAOYSA-N 1 2 243.347 1.615 20 0 BDADLO CC(C)SCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309267155 632865095 /nfs/dbraw/zinc/86/50/95/632865095.db2.gz JTZCPQQEMYSCFS-UHFFFAOYSA-N 1 2 240.328 1.849 20 0 BDADLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000066471000 632917983 /nfs/dbraw/zinc/91/79/83/632917983.db2.gz VYSSLDZTYZDMJJ-MFKMUULPSA-N 1 2 236.290 1.951 20 0 BDADLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000066471000 632917987 /nfs/dbraw/zinc/91/79/87/632917987.db2.gz VYSSLDZTYZDMJJ-MFKMUULPSA-N 1 2 236.290 1.951 20 0 BDADLO CNc1cc(N2CCC(C3(O)CC3)CC2)nc[nH+]1 ZINC000894379391 635871783 /nfs/dbraw/zinc/87/17/83/635871783.db2.gz LRKOKISTNHXKMN-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO CNc1cc(N2CCC(C3(O)CC3)CC2)[nH+]cn1 ZINC000894379391 635871786 /nfs/dbraw/zinc/87/17/86/635871786.db2.gz LRKOKISTNHXKMN-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC12CCC2 ZINC000928391771 635879288 /nfs/dbraw/zinc/87/92/88/635879288.db2.gz ODDURRRTOSHBPU-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCSC1 ZINC000162752468 633037570 /nfs/dbraw/zinc/03/75/70/633037570.db2.gz DCRAHZMNSUSNDV-GHMZBOCLSA-N 1 2 243.372 1.910 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCSC1 ZINC000162752468 633037575 /nfs/dbraw/zinc/03/75/75/633037575.db2.gz DCRAHZMNSUSNDV-GHMZBOCLSA-N 1 2 243.372 1.910 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000122306779 633204357 /nfs/dbraw/zinc/20/43/57/633204357.db2.gz PLYXVLUHUJVAHP-SFYZADRCSA-N 1 2 222.292 1.090 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](O)C2(C)C)[nH+]cn1 ZINC000122306779 633204360 /nfs/dbraw/zinc/20/43/60/633204360.db2.gz PLYXVLUHUJVAHP-SFYZADRCSA-N 1 2 222.292 1.090 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2cn(C)nn2)s1 ZINC000309601095 633209783 /nfs/dbraw/zinc/20/97/83/633209783.db2.gz JYRUXUXVCBSVDX-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO CN(C)c1cc(N2CC[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000892888324 633238813 /nfs/dbraw/zinc/23/88/13/633238813.db2.gz GRBSUVKHFJRJLL-CYBMUJFWSA-N 1 2 248.330 1.159 20 0 BDADLO CN(C)c1cc(N2CC[C@@]3(CCOC3)C2)[nH+]cn1 ZINC000892888324 633238816 /nfs/dbraw/zinc/23/88/16/633238816.db2.gz GRBSUVKHFJRJLL-CYBMUJFWSA-N 1 2 248.330 1.159 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@]4(CCOC4)C3)c12 ZINC000892888885 633240276 /nfs/dbraw/zinc/24/02/76/633240276.db2.gz MJYZCIAZYGZVLL-ZDUSSCGKSA-N 1 2 244.298 1.346 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccnn1C ZINC000895033151 636017440 /nfs/dbraw/zinc/01/74/40/636017440.db2.gz FGCYQDPJHKNABL-SECBINFHSA-N 1 2 246.318 1.449 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccnn1C ZINC000895033151 636017442 /nfs/dbraw/zinc/01/74/42/636017442.db2.gz FGCYQDPJHKNABL-SECBINFHSA-N 1 2 246.318 1.449 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cn1 ZINC000895118562 636068136 /nfs/dbraw/zinc/06/81/36/636068136.db2.gz KTSFAXRGVGDKQE-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cn1 ZINC000895118562 636068137 /nfs/dbraw/zinc/06/81/37/636068137.db2.gz KTSFAXRGVGDKQE-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000928570491 636115377 /nfs/dbraw/zinc/11/53/77/636115377.db2.gz UKVFQLMTGGRLLJ-ZDUSSCGKSA-N 1 2 246.310 1.323 20 0 BDADLO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000928570491 636115378 /nfs/dbraw/zinc/11/53/78/636115378.db2.gz UKVFQLMTGGRLLJ-ZDUSSCGKSA-N 1 2 246.310 1.323 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)nc[nH+]2)ncn1 ZINC000892990796 633800062 /nfs/dbraw/zinc/80/00/62/633800062.db2.gz GVOWEUZCWYVIDT-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)[nH+]cn2)ncn1 ZINC000892990796 633800066 /nfs/dbraw/zinc/80/00/66/633800066.db2.gz GVOWEUZCWYVIDT-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccon2)c1C1CC1 ZINC000893098483 633832958 /nfs/dbraw/zinc/83/29/58/633832958.db2.gz OZJNCFZAWNLNOB-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO CN(C)c1cc(N2CC=CCC2)nc[nH+]1 ZINC000893102777 633835785 /nfs/dbraw/zinc/83/57/85/633835785.db2.gz DQPMSBHJJZTNLO-UHFFFAOYSA-N 1 2 204.277 1.309 20 0 BDADLO CN(C)c1cc(N2CC=CCC2)[nH+]cn1 ZINC000893102777 633835789 /nfs/dbraw/zinc/83/57/89/633835789.db2.gz DQPMSBHJJZTNLO-UHFFFAOYSA-N 1 2 204.277 1.309 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000160274624 636172183 /nfs/dbraw/zinc/17/21/83/636172183.db2.gz QWYAXEBGPSBNHJ-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160274624 636172191 /nfs/dbraw/zinc/17/21/91/636172191.db2.gz QWYAXEBGPSBNHJ-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000310023193 634084041 /nfs/dbraw/zinc/08/40/41/634084041.db2.gz GTDIERXKMGJHJH-PRTUSXBOSA-N 1 2 239.315 1.359 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000310023193 634084043 /nfs/dbraw/zinc/08/40/43/634084043.db2.gz GTDIERXKMGJHJH-PRTUSXBOSA-N 1 2 239.315 1.359 20 0 BDADLO C[C@@H](c1nc(Cc2cn[nH]c2)no1)[NH+](C)C ZINC000924135965 634177484 /nfs/dbraw/zinc/17/74/84/634177484.db2.gz BRTWSKHDLYMRNK-ZETCQYMHSA-N 1 2 221.264 1.006 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000308334930 634297115 /nfs/dbraw/zinc/29/71/15/634297115.db2.gz BORQXDSWSGMDLV-RKDXNWHRSA-N 1 2 235.274 1.161 20 0 BDADLO CNc1cc(N[C@H]2CCOC(C)(C)C2)[nH+]cn1 ZINC000216281580 635207046 /nfs/dbraw/zinc/20/70/46/635207046.db2.gz JCUVDABPVHCNNE-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO CC(C)(C)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000980713545 635261820 /nfs/dbraw/zinc/26/18/20/635261820.db2.gz WAEZMSVEIAKHMD-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CC(C)(C)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980713545 635261824 /nfs/dbraw/zinc/26/18/24/635261824.db2.gz WAEZMSVEIAKHMD-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CC[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980727903 635266059 /nfs/dbraw/zinc/26/60/59/635266059.db2.gz UOJMEDCFEBEMHC-NSHDSACASA-N 1 2 230.327 1.536 20 0 BDADLO CC[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980727903 635266060 /nfs/dbraw/zinc/26/60/60/635266060.db2.gz UOJMEDCFEBEMHC-NSHDSACASA-N 1 2 230.327 1.536 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094369927 635315210 /nfs/dbraw/zinc/31/52/10/635315210.db2.gz IAUZOSKSICJKLF-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNCc1c(F)ccc(O)c1F ZINC000896594524 636206382 /nfs/dbraw/zinc/20/63/82/636206382.db2.gz IHDMXSHJSVCNLR-MRVPVSSYSA-N 1 2 242.269 1.464 20 0 BDADLO C[N@H+]1CC[C@@H]1CNCc1c(F)ccc(O)c1F ZINC000896594524 636206387 /nfs/dbraw/zinc/20/63/87/636206387.db2.gz IHDMXSHJSVCNLR-MRVPVSSYSA-N 1 2 242.269 1.464 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ncccc2F)[nH+]c1C ZINC000896908082 636250881 /nfs/dbraw/zinc/25/08/81/636250881.db2.gz USHLHWYQLBDVBA-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO Cc1nocc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907541 636251384 /nfs/dbraw/zinc/25/13/84/636251384.db2.gz NWSMWYNCUOGTTL-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CCCCO2)[nH+]c1C ZINC000896915224 636256132 /nfs/dbraw/zinc/25/61/32/636256132.db2.gz FEJOVMMTFTXKNT-JTQLQIEISA-N 1 2 237.303 1.212 20 0 BDADLO C/C=C(\C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000751375607 636277901 /nfs/dbraw/zinc/27/79/01/636277901.db2.gz CRXUECSHLNRHGU-XCVCLJGOSA-N 1 2 232.283 1.637 20 0 BDADLO O=C(N1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728593171 636278585 /nfs/dbraw/zinc/27/85/85/636278585.db2.gz RMBBSUYIIQFDRF-GFCCVEGCSA-N 1 2 248.330 1.736 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000169798142 636541350 /nfs/dbraw/zinc/54/13/50/636541350.db2.gz KJHVSDNPFIMAHJ-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CCCCC1 ZINC000074673139 636650999 /nfs/dbraw/zinc/65/09/99/636650999.db2.gz FKAYQNWPTYGTBI-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000074673411 636653544 /nfs/dbraw/zinc/65/35/44/636653544.db2.gz WVNSNJWFGXORCG-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO O=C(Cn1cc[nH+]c1)OCc1ccccc1 ZINC000034116773 636710705 /nfs/dbraw/zinc/71/07/05/636710705.db2.gz MDPKYAPCYDAGSN-UHFFFAOYSA-N 1 2 216.240 1.627 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000929118785 636810582 /nfs/dbraw/zinc/81/05/82/636810582.db2.gz RXYBGRYYNFRAJO-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000929118785 636810585 /nfs/dbraw/zinc/81/05/85/636810585.db2.gz RXYBGRYYNFRAJO-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)F)c[nH+]1 ZINC000897854123 636839313 /nfs/dbraw/zinc/83/93/13/636839313.db2.gz YLZLVOSBRAEPDI-SECBINFHSA-N 1 2 241.310 1.791 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC3(CC3)C2)c[nH+]1 ZINC000897873676 636843927 /nfs/dbraw/zinc/84/39/27/636843927.db2.gz UPWFBPVKGJOXPJ-UHFFFAOYSA-N 1 2 233.315 1.549 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@](C)(CC)OC ZINC000322691441 636877159 /nfs/dbraw/zinc/87/71/59/636877159.db2.gz KVIWYBTVDAVOCT-MWLCHTKSSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)co1 ZINC000898906758 637064686 /nfs/dbraw/zinc/06/46/86/637064686.db2.gz OSZOVTJZNYOOFP-UHFFFAOYSA-N 1 2 247.298 1.950 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000898974815 637070031 /nfs/dbraw/zinc/07/00/31/637070031.db2.gz FBYKHTFZPHONMP-VXGBXAGGSA-N 1 2 247.342 1.795 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C\[C@H]2CCOC2)[nH+]c1C ZINC000900999528 637225456 /nfs/dbraw/zinc/22/54/56/637225456.db2.gz HFJYZGGNALNUBL-BYCRGOAPSA-N 1 2 249.314 1.235 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@H]2CCOC2)[nH+]c1C ZINC000900999528 637225457 /nfs/dbraw/zinc/22/54/57/637225457.db2.gz HFJYZGGNALNUBL-BYCRGOAPSA-N 1 2 249.314 1.235 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCCNC2=O ZINC000904777788 637469026 /nfs/dbraw/zinc/46/90/26/637469026.db2.gz SBCYUPQJEZMVPJ-UHFFFAOYSA-N 1 2 241.294 1.763 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000905141126 637649734 /nfs/dbraw/zinc/64/97/34/637649734.db2.gz KIRWWEYCXCORIC-WISYIIOYSA-N 1 2 248.330 1.227 20 0 BDADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)C1(O)CCC1 ZINC000905263792 637717734 /nfs/dbraw/zinc/71/77/34/637717734.db2.gz WVYPHJQLDYHYSQ-DTWKUNHWSA-N 1 2 235.274 1.040 20 0 BDADLO C[C@@H]1CCN[C@@H](c2nc(C3([NH3+])CC3)no2)C1 ZINC000905324713 637754564 /nfs/dbraw/zinc/75/45/64/637754564.db2.gz OWYXUODVSGFKNX-HTQZYQBOSA-N 1 2 222.292 1.078 20 0 BDADLO C[C@@H]1CC[N@@H+]1CC[S@@](=O)C(F)(F)F ZINC000905975208 637992078 /nfs/dbraw/zinc/99/20/78/637992078.db2.gz PQMBVLAWODRFKV-CAAJLBCPSA-N 1 2 215.240 1.349 20 0 BDADLO C[C@@H]1CC[N@H+]1CC[S@@](=O)C(F)(F)F ZINC000905975208 637992082 /nfs/dbraw/zinc/99/20/82/637992082.db2.gz PQMBVLAWODRFKV-CAAJLBCPSA-N 1 2 215.240 1.349 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2cc[nH]n2)c(C)[nH+]1 ZINC000906155148 638063877 /nfs/dbraw/zinc/06/38/77/638063877.db2.gz DLYTVVSFXHCUQM-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CCC(O)(CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907666203 638438065 /nfs/dbraw/zinc/43/80/65/638438065.db2.gz MZMNFQWMYHZWJR-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907676359 638442069 /nfs/dbraw/zinc/44/20/69/638442069.db2.gz LPXWSXGXZXKXDB-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO CCCn1ccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000907686233 638446983 /nfs/dbraw/zinc/44/69/83/638446983.db2.gz PYBTZJCVSCGREB-UHFFFAOYSA-N 1 2 246.314 1.411 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC12CCCC2 ZINC000907738608 638452974 /nfs/dbraw/zinc/45/29/74/638452974.db2.gz KQWMVBRFTWDJRM-SNVBAGLBSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927478674 638453977 /nfs/dbraw/zinc/45/39/77/638453977.db2.gz CGECPVWGZIWNSG-SRVKXCTJSA-N 1 2 233.315 1.436 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)CNc1cccc[nH+]1 ZINC000907876227 638496035 /nfs/dbraw/zinc/49/60/35/638496035.db2.gz VSWAPXRANHPPEW-UWVGGRQHSA-N 1 2 219.288 1.503 20 0 BDADLO CC[C@H](O)[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907905661 638508968 /nfs/dbraw/zinc/50/89/68/638508968.db2.gz UVAGLGLNAFRWGA-KOLCDFICSA-N 1 2 247.298 1.680 20 0 BDADLO CC(C)n1ccc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000907928012 638513675 /nfs/dbraw/zinc/51/36/75/638513675.db2.gz MMXRSOPKYOBAMZ-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000908222327 638601667 /nfs/dbraw/zinc/60/16/67/638601667.db2.gz JVFZXYFDPUWZFL-RXMQYKEDSA-N 1 2 221.182 1.019 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC1(F)F ZINC000908218981 638617502 /nfs/dbraw/zinc/61/75/02/638617502.db2.gz IQGUEGRCSSIIMY-MRVPVSSYSA-N 1 2 229.230 1.256 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927485763 638626285 /nfs/dbraw/zinc/62/62/85/638626285.db2.gz DSXRXGHQOUUYEZ-GVXVVHGQSA-N 1 2 247.342 1.515 20 0 BDADLO CC(C)C[C@@H](C(=O)NC1CC(=O)C1)n1cc[nH+]c1 ZINC000908465873 638728691 /nfs/dbraw/zinc/72/86/91/638728691.db2.gz QSALVBLXFDKWKC-LBPRGKRZSA-N 1 2 249.314 1.318 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H]2C2CC2)c[nH+]1 ZINC000908558712 639009433 /nfs/dbraw/zinc/00/94/33/639009433.db2.gz XHIGRGIHWWNJGE-GFCCVEGCSA-N 1 2 247.342 1.938 20 0 BDADLO Cc1coc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000908759178 639063141 /nfs/dbraw/zinc/06/31/41/639063141.db2.gz AHMCYYCQYOYSKU-VIFPVBQESA-N 1 2 231.255 1.139 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)[C@H]1C[C@H]1C)[NH+](C)C ZINC000909257215 639185160 /nfs/dbraw/zinc/18/51/60/639185160.db2.gz URXJYFGZTFZYMK-JFGNBEQYSA-N 1 2 241.331 1.341 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000909901165 639264217 /nfs/dbraw/zinc/26/42/17/639264217.db2.gz NILAXMITUAUNMU-PWSUYJOCSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)[C@@H](C)[C@H]1C ZINC000910933932 639533522 /nfs/dbraw/zinc/53/35/22/639533522.db2.gz XDKDSCWEWMEHLS-WOPDTQHZSA-N 1 2 247.342 1.996 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CC1(C)C ZINC000910928190 639539707 /nfs/dbraw/zinc/53/97/07/639539707.db2.gz WYRQWUFHZIBKDI-GHMZBOCLSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](C(=O)Nc1cc(F)cc(F)c1O)[NH+](C)C ZINC000910992520 639557176 /nfs/dbraw/zinc/55/71/76/639557176.db2.gz LQUZWFATQWCLMF-ZCFIWIBFSA-N 1 2 244.241 1.559 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)nn1C(C)C ZINC000911213248 639595596 /nfs/dbraw/zinc/59/55/96/639595596.db2.gz QESZZSBTFKHVTL-UHFFFAOYSA-N 1 2 247.302 1.677 20 0 BDADLO C[N@H+](Cc1nncs1)[C@H]1CC[C@H](O)CC1 ZINC000930248049 639657098 /nfs/dbraw/zinc/65/70/98/639657098.db2.gz HWPKCHHMRCWKLV-KYZUINATSA-N 1 2 227.333 1.273 20 0 BDADLO C[N@@H+](Cc1nncs1)[C@H]1CC[C@H](O)CC1 ZINC000930248049 639657104 /nfs/dbraw/zinc/65/71/04/639657104.db2.gz HWPKCHHMRCWKLV-KYZUINATSA-N 1 2 227.333 1.273 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911574827 639669843 /nfs/dbraw/zinc/66/98/43/639669843.db2.gz SBHROVBLYNNFOC-VGANXODHSA-N 1 2 239.706 1.457 20 0 BDADLO CCN(CCSC)C(=O)Cc1c[nH+]c[nH]1 ZINC000911606317 639675169 /nfs/dbraw/zinc/67/51/69/639675169.db2.gz OJAYGHQHCGFCKT-UHFFFAOYSA-N 1 2 227.333 1.164 20 0 BDADLO Cc1nocc1NC(=O)C[NH+]1CCCC1 ZINC000911671415 639696678 /nfs/dbraw/zinc/69/66/78/639696678.db2.gz UJOAJCJPXSKROX-UHFFFAOYSA-N 1 2 209.249 1.017 20 0 BDADLO CC(C)NC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044139006 639696727 /nfs/dbraw/zinc/69/67/27/639696727.db2.gz DREXYJDYUHWZQX-VIFPVBQESA-N 1 2 226.349 1.144 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930463079 639764136 /nfs/dbraw/zinc/76/41/36/639764136.db2.gz SDILWXNGSCVSEJ-KWCYVHTRSA-N 1 2 246.310 1.201 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930463079 639764141 /nfs/dbraw/zinc/76/41/41/639764141.db2.gz SDILWXNGSCVSEJ-KWCYVHTRSA-N 1 2 246.310 1.201 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930463080 639764918 /nfs/dbraw/zinc/76/49/18/639764918.db2.gz SDILWXNGSCVSEJ-UBHSHLNASA-N 1 2 246.310 1.201 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930463080 639764922 /nfs/dbraw/zinc/76/49/22/639764922.db2.gz SDILWXNGSCVSEJ-UBHSHLNASA-N 1 2 246.310 1.201 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000930469641 639769338 /nfs/dbraw/zinc/76/93/38/639769338.db2.gz PLHGZYROTGMNNS-LBQOUHFTSA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCOC[C@H]1CC(F)F ZINC000930469641 639769341 /nfs/dbraw/zinc/76/93/41/639769341.db2.gz PLHGZYROTGMNNS-LBQOUHFTSA-N 1 2 249.301 1.935 20 0 BDADLO C[C@H](O)[C@H](O)C[N@H+](C)Cc1c(F)cccc1F ZINC000930580844 639813764 /nfs/dbraw/zinc/81/37/64/639813764.db2.gz MDVWHEVUFRWUEP-QPUJVOFHSA-N 1 2 245.269 1.138 20 0 BDADLO C[C@H](O)[C@H](O)C[N@@H+](C)Cc1c(F)cccc1F ZINC000930580844 639813765 /nfs/dbraw/zinc/81/37/65/639813765.db2.gz MDVWHEVUFRWUEP-QPUJVOFHSA-N 1 2 245.269 1.138 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2CF)CC(=O)N1 ZINC000930639043 639837610 /nfs/dbraw/zinc/83/76/10/639837610.db2.gz DWCKHVVIOUDDOI-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2CF)CC(=O)N1 ZINC000930639043 639837613 /nfs/dbraw/zinc/83/76/13/639837613.db2.gz DWCKHVVIOUDDOI-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)N[C@H](C)C2)c1 ZINC000930640204 639838439 /nfs/dbraw/zinc/83/84/39/639838439.db2.gz NPVBLTXBACDMNP-LLVKDONJSA-N 1 2 233.315 1.019 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)c(C)nn1 ZINC000930704280 639871533 /nfs/dbraw/zinc/87/15/33/639871533.db2.gz LVOXYCGFTFNSAW-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO COCCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930794986 639908472 /nfs/dbraw/zinc/90/84/72/639908472.db2.gz RKQRWYXIONQLIH-UHFFFAOYSA-N 1 2 247.298 1.671 20 0 BDADLO CC(C)(C)[C@@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930875580 639965317 /nfs/dbraw/zinc/96/53/17/639965317.db2.gz XYADEORFTIVHCM-ZANVPECISA-N 1 2 243.347 1.467 20 0 BDADLO COC(CC[NH2+][C@]1(C)CC(C)(C)OC1=O)OC ZINC000930875881 639965585 /nfs/dbraw/zinc/96/55/85/639965585.db2.gz ZWWKDNPIOZOFJH-GFCCVEGCSA-N 1 2 245.319 1.069 20 0 BDADLO COC/C(C)=C/C[N@H+](C)Cc1cnc[nH]1 ZINC000930913592 639985730 /nfs/dbraw/zinc/98/57/30/639985730.db2.gz BHRKCNOPUXNQLC-ONNFQVAWSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)Cc1cnc[nH]1 ZINC000930913592 639985741 /nfs/dbraw/zinc/98/57/41/639985741.db2.gz BHRKCNOPUXNQLC-ONNFQVAWSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C/C[N@H+](C)Cc1c[nH]cn1 ZINC000930913592 639985746 /nfs/dbraw/zinc/98/57/46/639985746.db2.gz BHRKCNOPUXNQLC-ONNFQVAWSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)Cc1c[nH]cn1 ZINC000930913592 639985754 /nfs/dbraw/zinc/98/57/54/639985754.db2.gz BHRKCNOPUXNQLC-ONNFQVAWSA-N 1 2 209.293 1.434 20 0 BDADLO COCC[N@H+](CCF)C/C(C)=C/C(=O)OC ZINC000930974684 640009961 /nfs/dbraw/zinc/00/99/61/640009961.db2.gz XQSOREDXZGMWLF-CSKARUKUSA-N 1 2 233.283 1.024 20 0 BDADLO COCC[N@@H+](CCF)C/C(C)=C/C(=O)OC ZINC000930974684 640009967 /nfs/dbraw/zinc/00/99/67/640009967.db2.gz XQSOREDXZGMWLF-CSKARUKUSA-N 1 2 233.283 1.024 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@H+](Cc1nncs1)C2 ZINC000931019840 640023385 /nfs/dbraw/zinc/02/33/85/640023385.db2.gz NHVVSVGEXNXQIF-WCBMZHEXSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1nncs1)C2 ZINC000931019840 640023391 /nfs/dbraw/zinc/02/33/91/640023391.db2.gz NHVVSVGEXNXQIF-WCBMZHEXSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCOC2CC2)CCO1 ZINC000931081326 640062560 /nfs/dbraw/zinc/06/25/60/640062560.db2.gz ZDZSLTNOUXGRRM-LLVKDONJSA-N 1 2 235.274 1.521 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCOC2CC2)CCO1 ZINC000931081326 640062565 /nfs/dbraw/zinc/06/25/65/640062565.db2.gz ZDZSLTNOUXGRRM-LLVKDONJSA-N 1 2 235.274 1.521 20 0 BDADLO C1=CCC(C[N@@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931140935 640075222 /nfs/dbraw/zinc/07/52/22/640075222.db2.gz ARRSYYCFQBBWDF-NSHDSACASA-N 1 2 218.304 1.908 20 0 BDADLO C1=CCC(C[N@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931140935 640075228 /nfs/dbraw/zinc/07/52/28/640075228.db2.gz ARRSYYCFQBBWDF-NSHDSACASA-N 1 2 218.304 1.908 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000912502865 640100157 /nfs/dbraw/zinc/10/01/57/640100157.db2.gz JITCHHPBXLBYLI-SCVCMEIPSA-N 1 2 233.315 1.505 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584474 640122097 /nfs/dbraw/zinc/12/20/97/640122097.db2.gz OTGHCRLYWOMGPE-VIFPVBQESA-N 1 2 249.314 1.449 20 0 BDADLO CS/C=C/C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614976 640135281 /nfs/dbraw/zinc/13/52/81/640135281.db2.gz GAOZEGLKKJDXDM-QPJJXVBHSA-N 1 2 239.344 1.611 20 0 BDADLO CC(C(=O)N[C@@H](CO)c1c[nH+]cn1C)=C1CCC1 ZINC000912612149 640135627 /nfs/dbraw/zinc/13/56/27/640135627.db2.gz KKQLHKHLDHNAFU-NSHDSACASA-N 1 2 249.314 1.070 20 0 BDADLO COC/C(C)=C/C[NH+]1CCN(CCCF)CC1 ZINC000931292861 640136731 /nfs/dbraw/zinc/13/67/31/640136731.db2.gz GXRUNDBARDPGTR-YIXHJXPBSA-N 1 2 244.354 1.556 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912614571 640137704 /nfs/dbraw/zinc/13/77/04/640137704.db2.gz ORTRAPUDONEUBJ-UAWPZABVSA-N 1 2 249.314 1.092 20 0 BDADLO CC(C)(CNC(=O)C1=CCOCC1)n1cc[nH+]c1 ZINC000912614633 640138478 /nfs/dbraw/zinc/13/84/78/640138478.db2.gz CUHDBUQEIGITIJ-UHFFFAOYSA-N 1 2 249.314 1.081 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C2CCC2)C1 ZINC000912701532 640171397 /nfs/dbraw/zinc/17/13/97/640171397.db2.gz RTWJFUMMKYOUHQ-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO CCc1ncc(C[N@H+](C)Cc2c[nH]nc2C)o1 ZINC000931415615 640187886 /nfs/dbraw/zinc/18/78/86/640187886.db2.gz NEWPAMBUXCBHOL-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCc1ncc(C[N@@H+](C)Cc2c[nH]nc2C)o1 ZINC000931415615 640187891 /nfs/dbraw/zinc/18/78/91/640187891.db2.gz NEWPAMBUXCBHOL-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO C[C@H]1C[N@H+](CCN2CC[C@H]2C(F)F)CCO1 ZINC000931427752 640196548 /nfs/dbraw/zinc/19/65/48/640196548.db2.gz YXGZEVDSFUHHQR-UWVGGRQHSA-N 1 2 234.290 1.047 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CC[C@H]2C(F)F)CCO1 ZINC000931427752 640196558 /nfs/dbraw/zinc/19/65/58/640196558.db2.gz YXGZEVDSFUHHQR-UWVGGRQHSA-N 1 2 234.290 1.047 20 0 BDADLO c1coc(C2CC[NH+](Cc3c[nH]cn3)CC2)n1 ZINC000931443292 640205387 /nfs/dbraw/zinc/20/53/87/640205387.db2.gz REJVBDBEVOLLQX-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000931465936 640226910 /nfs/dbraw/zinc/22/69/10/640226910.db2.gz ATTKAHONUOCNDP-GHMZBOCLSA-N 1 2 245.282 1.616 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931467336 640227049 /nfs/dbraw/zinc/22/70/49/640227049.db2.gz NSCDYEVIXYZSGA-ORAHPGNNSA-N 1 2 249.314 1.448 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931467336 640227053 /nfs/dbraw/zinc/22/70/53/640227053.db2.gz NSCDYEVIXYZSGA-ORAHPGNNSA-N 1 2 249.314 1.448 20 0 BDADLO COC(=O)C[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC000931591444 640281309 /nfs/dbraw/zinc/28/13/09/640281309.db2.gz XNLLGZVXXKBDGQ-VIFPVBQESA-N 1 2 231.361 1.623 20 0 BDADLO COC(=O)C[N@H+]1CCSC[C@H]1C(C)(C)C ZINC000931591444 640281314 /nfs/dbraw/zinc/28/13/14/640281314.db2.gz XNLLGZVXXKBDGQ-VIFPVBQESA-N 1 2 231.361 1.623 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000912973625 640270705 /nfs/dbraw/zinc/27/07/05/640270705.db2.gz HJBHUEPGEKAGDO-MXWKQRLJSA-N 1 2 233.315 1.505 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000931611336 640288418 /nfs/dbraw/zinc/28/84/18/640288418.db2.gz LHOOYCUFHCQKHE-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000931611336 640288422 /nfs/dbraw/zinc/28/84/22/640288422.db2.gz LHOOYCUFHCQKHE-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO COC[C@H]1CCCN1C(=O)CNc1cccc[nH+]1 ZINC000913152263 640313945 /nfs/dbraw/zinc/31/39/45/640313945.db2.gz INAHCOHWCRLXGS-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CCCCc1nc(C[NH2+][C@@H](CC)CO)no1 ZINC000931766475 640359047 /nfs/dbraw/zinc/35/90/47/640359047.db2.gz GOSPEAIHWHTIGY-VIFPVBQESA-N 1 2 227.308 1.273 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931936541 640396166 /nfs/dbraw/zinc/39/61/66/640396166.db2.gz PFESKEZMCVDEKU-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931936541 640396169 /nfs/dbraw/zinc/39/61/69/640396169.db2.gz PFESKEZMCVDEKU-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3ncccn3)C2)no1 ZINC000931934879 640398008 /nfs/dbraw/zinc/39/80/08/640398008.db2.gz HDTDYUBVJDESTH-JTQLQIEISA-N 1 2 245.286 1.158 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3ncccn3)C2)no1 ZINC000931934879 640398013 /nfs/dbraw/zinc/39/80/13/640398013.db2.gz HDTDYUBVJDESTH-JTQLQIEISA-N 1 2 245.286 1.158 20 0 BDADLO COc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000054762961 640403396 /nfs/dbraw/zinc/40/33/96/640403396.db2.gz WBHCLOIXVGWKHF-UHFFFAOYSA-N 1 2 217.272 1.708 20 0 BDADLO COc1cccc(C[NH2+]Cc2c[nH]cn2)c1 ZINC000054764999 640407222 /nfs/dbraw/zinc/40/72/22/640407222.db2.gz WPGBCGMRAHMFEJ-UHFFFAOYSA-N 1 2 217.272 1.708 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+](C)[C@H]1CCOC1 ZINC000156643599 640476547 /nfs/dbraw/zinc/47/65/47/640476547.db2.gz GGHCQVFNIISYKU-VIFPVBQESA-N 1 2 229.711 1.523 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+](C)[C@H]1CCOC1 ZINC000156643599 640476551 /nfs/dbraw/zinc/47/65/51/640476551.db2.gz GGHCQVFNIISYKU-VIFPVBQESA-N 1 2 229.711 1.523 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncccn2)CCO1 ZINC000932336868 640477560 /nfs/dbraw/zinc/47/75/60/640477560.db2.gz TVHFDDXYQRMTNE-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncccn2)CCO1 ZINC000932336868 640477566 /nfs/dbraw/zinc/47/75/66/640477566.db2.gz TVHFDDXYQRMTNE-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCO[C@H](C)CC2)n1 ZINC000932348979 640489694 /nfs/dbraw/zinc/48/96/94/640489694.db2.gz CXSMMIYVNUZNDY-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCO[C@H](C)CC2)n1 ZINC000932348979 640489696 /nfs/dbraw/zinc/48/96/96/640489696.db2.gz CXSMMIYVNUZNDY-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)CCO1 ZINC000932351138 640492777 /nfs/dbraw/zinc/49/27/77/640492777.db2.gz SAPQGDHGXVZYJQ-LBPRGKRZSA-N 1 2 248.326 1.736 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)CCO1 ZINC000932351138 640492780 /nfs/dbraw/zinc/49/27/80/640492780.db2.gz SAPQGDHGXVZYJQ-LBPRGKRZSA-N 1 2 248.326 1.736 20 0 BDADLO O=C(NC1C[NH+](CCCC2CCC2)C1)C(F)F ZINC001030038735 640526996 /nfs/dbraw/zinc/52/69/96/640526996.db2.gz UXZXKHQJURPYLY-UHFFFAOYSA-N 1 2 246.301 1.632 20 0 BDADLO COc1cccc(C[NH+]2CC(NC(C)=O)C2)c1C ZINC001030037105 640528666 /nfs/dbraw/zinc/52/86/66/640528666.db2.gz MXWDXWKFLVNMMT-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2ccco2)C1 ZINC001030057957 640553177 /nfs/dbraw/zinc/55/31/77/640553177.db2.gz USDBKOVMYLNAMG-SECBINFHSA-N 1 2 240.278 1.442 20 0 BDADLO C[C@H]1COC[C@@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000932488188 640553625 /nfs/dbraw/zinc/55/36/25/640553625.db2.gz KNJXNGCRBGXPJL-WPRPVWTQSA-N 1 2 237.303 1.462 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)c1ccco1 ZINC001030058152 640553868 /nfs/dbraw/zinc/55/38/68/640553868.db2.gz YERODTCYWXTSPY-UHFFFAOYSA-N 1 2 226.251 1.053 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)s2)C1 ZINC001030059616 640557643 /nfs/dbraw/zinc/55/76/43/640557643.db2.gz QMMCHARDRUVBJJ-UHFFFAOYSA-N 1 2 224.329 1.490 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cccc3C2)nn1C ZINC000932525688 640562907 /nfs/dbraw/zinc/56/29/07/640562907.db2.gz CUFZXJAZUURTPN-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cccc3C2)nn1C ZINC000932525688 640562910 /nfs/dbraw/zinc/56/29/10/640562910.db2.gz CUFZXJAZUURTPN-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO c1cc2n(c1)CC[N@@H+](Cc1ncc[nH]1)C2 ZINC000932532682 640573928 /nfs/dbraw/zinc/57/39/28/640573928.db2.gz ODXLOAOJHFGWKQ-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO c1cc2n(c1)CC[N@H+](Cc1ncc[nH]1)C2 ZINC000932532682 640573931 /nfs/dbraw/zinc/57/39/31/640573931.db2.gz ODXLOAOJHFGWKQ-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO CCCC[NH+]1CC(NC(=O)c2cccs2)C1 ZINC001030069929 640574167 /nfs/dbraw/zinc/57/41/67/640574167.db2.gz PMXRRNCGVJRDAP-UHFFFAOYSA-N 1 2 238.356 1.962 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030070768 640574820 /nfs/dbraw/zinc/57/48/20/640574820.db2.gz ARLVEMRQWMTBSP-ZYHUDNBSSA-N 1 2 222.332 1.409 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CC(C)C ZINC000224256186 640607997 /nfs/dbraw/zinc/60/79/97/640607997.db2.gz YVDAORYJSRUVEL-NSHDSACASA-N 1 2 211.309 1.215 20 0 BDADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)C=CCC1 ZINC000932827274 640614822 /nfs/dbraw/zinc/61/48/22/640614822.db2.gz SMARHAARNLRZJW-ZDUSSCGKSA-N 1 2 231.299 1.623 20 0 BDADLO CCO[C@@H](C[N@@H+]1CC(=O)CC[C@H]1C)C1CC1 ZINC000932876094 640634399 /nfs/dbraw/zinc/63/43/99/640634399.db2.gz HPEQHTLHAGDLDD-MFKMUULPSA-N 1 2 225.332 1.855 20 0 BDADLO CCO[C@@H](C[N@H+]1CC(=O)CC[C@H]1C)C1CC1 ZINC000932876094 640634401 /nfs/dbraw/zinc/63/44/01/640634401.db2.gz HPEQHTLHAGDLDD-MFKMUULPSA-N 1 2 225.332 1.855 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2CC=CC2)C1 ZINC001030174620 640658377 /nfs/dbraw/zinc/65/83/77/640658377.db2.gz GHQMMEPSVSFJQD-UHFFFAOYSA-N 1 2 234.343 1.719 20 0 BDADLO CCN(CC)C(=O)CNc1cc[nH+]c(C)n1 ZINC000157369385 640669144 /nfs/dbraw/zinc/66/91/44/640669144.db2.gz CDJVMKVWMMFEFP-UHFFFAOYSA-N 1 2 222.292 1.065 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2oc(C)cc2C)C1 ZINC001030196698 640670427 /nfs/dbraw/zinc/67/04/27/640670427.db2.gz OVSLBWAFLKEUKC-UHFFFAOYSA-N 1 2 236.315 1.720 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@H]2CC2CC2)n1 ZINC000933206997 640678558 /nfs/dbraw/zinc/67/85/58/640678558.db2.gz AZPFDAGYDGSBHM-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@H]2CC2CC2)n1 ZINC000933206997 640678565 /nfs/dbraw/zinc/67/85/65/640678565.db2.gz AZPFDAGYDGSBHM-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933208431 640678767 /nfs/dbraw/zinc/67/87/67/640678767.db2.gz IXHCIWOGBLJCNF-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933208431 640678770 /nfs/dbraw/zinc/67/87/70/640678770.db2.gz IXHCIWOGBLJCNF-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1nncs1)C2 ZINC000933253506 640689336 /nfs/dbraw/zinc/68/93/36/640689336.db2.gz PRWFRQVJEDUYPX-UHFFFAOYSA-N 1 2 249.343 1.313 20 0 BDADLO CC[C@@H](COC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933271186 640695602 /nfs/dbraw/zinc/69/56/02/640695602.db2.gz BTRPNXMMMUXGOO-JTQLQIEISA-N 1 2 247.298 1.718 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1ccncc1C ZINC000933326430 640704193 /nfs/dbraw/zinc/70/41/93/640704193.db2.gz CJPMLQDCEDRXNM-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1ccncc1C ZINC000933326430 640704195 /nfs/dbraw/zinc/70/41/95/640704195.db2.gz CJPMLQDCEDRXNM-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)CC(C)C ZINC000226133314 640734181 /nfs/dbraw/zinc/73/41/81/640734181.db2.gz DACXIMRCXPQUOA-SNVBAGLBSA-N 1 2 224.304 1.909 20 0 BDADLO FCC[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933691627 640745625 /nfs/dbraw/zinc/74/56/25/640745625.db2.gz JRVOYRARNMHJNU-GHMZBOCLSA-N 1 2 217.284 1.226 20 0 BDADLO FCC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933691627 640745632 /nfs/dbraw/zinc/74/56/32/640745632.db2.gz JRVOYRARNMHJNU-GHMZBOCLSA-N 1 2 217.284 1.226 20 0 BDADLO CNc1cc(NC[C@@H](O)CC(C)(C)C)[nH+]cn1 ZINC000226300943 640746305 /nfs/dbraw/zinc/74/63/05/640746305.db2.gz BCXYSJSEQNNHCV-VIFPVBQESA-N 1 2 238.335 1.727 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000226592487 640778010 /nfs/dbraw/zinc/77/80/10/640778010.db2.gz YCABWPRHJHEJQD-QJPTWQEYSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cc(CCC(=O)NCc2[nH]c[nH+]c2C)no1 ZINC000933990483 640799091 /nfs/dbraw/zinc/79/90/91/640799091.db2.gz LCJGOARYIOPUHB-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001030440387 640861756 /nfs/dbraw/zinc/86/17/56/640861756.db2.gz LONJWRBWQNWPFI-UHFFFAOYSA-N 1 2 247.342 1.639 20 0 BDADLO CCc1cccnc1C(=O)NC1C[NH+](CC)C1 ZINC001030581263 640927672 /nfs/dbraw/zinc/92/76/72/640927672.db2.gz GIQKMWIKXWDDAX-UHFFFAOYSA-N 1 2 233.315 1.078 20 0 BDADLO COc1ccc[nH+]c1NC1CCS(=O)CC1 ZINC000229241021 640938321 /nfs/dbraw/zinc/93/83/21/640938321.db2.gz YFHPMAQRKUCCKJ-UHFFFAOYSA-N 1 2 240.328 1.413 20 0 BDADLO CCCNc1cc(N[C@@H](C)CO)nc[nH+]1 ZINC000087811452 641051071 /nfs/dbraw/zinc/05/10/71/641051071.db2.gz NOSQDMCVECREKL-QMMMGPOBSA-N 1 2 210.281 1.091 20 0 BDADLO CCCNc1cc(N[C@@H](C)CO)[nH+]cn1 ZINC000087811452 641051072 /nfs/dbraw/zinc/05/10/72/641051072.db2.gz NOSQDMCVECREKL-QMMMGPOBSA-N 1 2 210.281 1.091 20 0 BDADLO CCCNc1cc(N[C@@H](C)COC)nc[nH+]1 ZINC000087807837 641051301 /nfs/dbraw/zinc/05/13/01/641051301.db2.gz AOPCRHRYHAKCNB-VIFPVBQESA-N 1 2 224.308 1.745 20 0 BDADLO CCCNc1cc(N[C@@H](C)COC)[nH+]cn1 ZINC000087807837 641051306 /nfs/dbraw/zinc/05/13/06/641051306.db2.gz AOPCRHRYHAKCNB-VIFPVBQESA-N 1 2 224.308 1.745 20 0 BDADLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000172326374 641055382 /nfs/dbraw/zinc/05/53/82/641055382.db2.gz MFDGUSARAYCJFQ-CYBMUJFWSA-N 1 2 238.331 1.459 20 0 BDADLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000172326374 641055384 /nfs/dbraw/zinc/05/53/84/641055384.db2.gz MFDGUSARAYCJFQ-CYBMUJFWSA-N 1 2 238.331 1.459 20 0 BDADLO CNc1cc(N[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000087826956 641059933 /nfs/dbraw/zinc/05/99/33/641059933.db2.gz BIHXBHREDCVYGX-RKDXNWHRSA-N 1 2 222.292 1.234 20 0 BDADLO CNc1cc(N[C@@H]2CCCC[C@H]2O)[nH+]cn1 ZINC000087826956 641059936 /nfs/dbraw/zinc/05/99/36/641059936.db2.gz BIHXBHREDCVYGX-RKDXNWHRSA-N 1 2 222.292 1.234 20 0 BDADLO CNc1cc(N2CCSC[C@@H]2C)nc[nH+]1 ZINC000087830870 641063047 /nfs/dbraw/zinc/06/30/47/641063047.db2.gz RRHJXWNVYHRLPM-QMMMGPOBSA-N 1 2 224.333 1.460 20 0 BDADLO CNc1cc(N2CCSC[C@@H]2C)[nH+]cn1 ZINC000087830870 641063049 /nfs/dbraw/zinc/06/30/49/641063049.db2.gz RRHJXWNVYHRLPM-QMMMGPOBSA-N 1 2 224.333 1.460 20 0 BDADLO CNc1cc(N2CCC(C)(C)C2)nc[nH+]1 ZINC000087838733 641065082 /nfs/dbraw/zinc/06/50/82/641065082.db2.gz ZDEJTKXPMONIDV-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CNc1cc(N2CCC(C)(C)C2)[nH+]cn1 ZINC000087838733 641065085 /nfs/dbraw/zinc/06/50/85/641065085.db2.gz ZDEJTKXPMONIDV-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103510 641066180 /nfs/dbraw/zinc/06/61/80/641066180.db2.gz BMXNAJYGDOTLEH-VHSXEESVSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103510 641066184 /nfs/dbraw/zinc/06/61/84/641066184.db2.gz BMXNAJYGDOTLEH-VHSXEESVSA-N 1 2 243.738 1.683 20 0 BDADLO CCCNc1cc(N[C@@H]2CCOC2)nc[nH+]1 ZINC000087839076 641068976 /nfs/dbraw/zinc/06/89/76/641068976.db2.gz MWCZBMSYLKVIRI-SECBINFHSA-N 1 2 222.292 1.499 20 0 BDADLO CCCNc1cc(N[C@@H]2CCOC2)[nH+]cn1 ZINC000087839076 641068979 /nfs/dbraw/zinc/06/89/79/641068979.db2.gz MWCZBMSYLKVIRI-SECBINFHSA-N 1 2 222.292 1.499 20 0 BDADLO Cc1nc(NC[C@@H](O)CC(C)C)cc[nH+]1 ZINC000230902200 641115821 /nfs/dbraw/zinc/11/58/21/641115821.db2.gz XMIUWVYALNDQPV-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329876 641127570 /nfs/dbraw/zinc/12/75/70/641127570.db2.gz KDUNGYDKABPVIT-VIFPVBQESA-N 1 2 240.328 1.181 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329876 641127576 /nfs/dbraw/zinc/12/75/76/641127576.db2.gz KDUNGYDKABPVIT-VIFPVBQESA-N 1 2 240.328 1.181 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@]2(C)C=CCC2)[nH+]c1C ZINC000934424529 641143548 /nfs/dbraw/zinc/14/35/48/641143548.db2.gz FTOHCKWROQTTDY-CYBMUJFWSA-N 1 2 233.315 1.999 20 0 BDADLO CNc1cc(N[C@H](CCO)C(C)C)nc[nH+]1 ZINC000231220223 641148327 /nfs/dbraw/zinc/14/83/27/641148327.db2.gz GKKNIEDYJHWWRO-SECBINFHSA-N 1 2 224.308 1.337 20 0 BDADLO CNc1cc(N[C@H](CCO)C(C)C)[nH+]cn1 ZINC000231220223 641148335 /nfs/dbraw/zinc/14/83/35/641148335.db2.gz GKKNIEDYJHWWRO-SECBINFHSA-N 1 2 224.308 1.337 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)cn2)CCCO1 ZINC000231280716 641151403 /nfs/dbraw/zinc/15/14/03/641151403.db2.gz PWSLGYLMNRHKOJ-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)CCCO1 ZINC000231280716 641151406 /nfs/dbraw/zinc/15/14/06/641151406.db2.gz PWSLGYLMNRHKOJ-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000932970018 641167017 /nfs/dbraw/zinc/16/70/17/641167017.db2.gz FJCPEUOJRCSHBL-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000932970018 641167021 /nfs/dbraw/zinc/16/70/21/641167021.db2.gz FJCPEUOJRCSHBL-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO C[C@@H]1C[N@H+](Cn2cc[nH]c2=S)CCS1 ZINC000173340856 641172117 /nfs/dbraw/zinc/17/21/17/641172117.db2.gz FPSKPINFEIMJFS-MRVPVSSYSA-N 1 2 229.374 1.940 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)ccn1 ZINC000934564999 641196150 /nfs/dbraw/zinc/19/61/50/641196150.db2.gz IPFGDRJIYMSGOX-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)ccn1 ZINC000934564999 641196153 /nfs/dbraw/zinc/19/61/53/641196153.db2.gz IPFGDRJIYMSGOX-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001030685687 641214240 /nfs/dbraw/zinc/21/42/40/641214240.db2.gz YIXXIQZVCNCXQJ-UHFFFAOYSA-N 1 2 233.315 1.132 20 0 BDADLO COC(CC[NH2+]C(C)(C)C(=O)OC(C)C)OC ZINC000934818821 641277712 /nfs/dbraw/zinc/27/77/12/641277712.db2.gz LIKAAOHTIVIKOC-UHFFFAOYSA-N 1 2 247.335 1.315 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001030709911 641312895 /nfs/dbraw/zinc/31/28/95/641312895.db2.gz LTNMTJXANDPELI-UHFFFAOYSA-N 1 2 247.342 1.441 20 0 BDADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030799382 641358453 /nfs/dbraw/zinc/35/84/53/641358453.db2.gz DFJORHNDYFVUSR-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1ncnc1CNc1ccc([NH+](C)C)cc1 ZINC000088572041 641369279 /nfs/dbraw/zinc/36/92/79/641369279.db2.gz DSGPZNKEEJZTGX-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO COCCCCc1noc([C@H](C)[NH+](C)C)n1 ZINC000350597561 641369754 /nfs/dbraw/zinc/36/97/54/641369754.db2.gz OHJSNRPWSWTIHL-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO CCn1ccc(C(=O)NC2C[NH+](CC)C2)c1C ZINC001030826202 641370964 /nfs/dbraw/zinc/37/09/64/641370964.db2.gz UATKLHYAEALMPZ-UHFFFAOYSA-N 1 2 235.331 1.250 20 0 BDADLO CC[NH+]1CC(NC(=O)c2coc(C(F)F)c2)C1 ZINC001030852656 641382751 /nfs/dbraw/zinc/38/27/51/641382751.db2.gz IVBONZIVIWKBBP-UHFFFAOYSA-N 1 2 244.241 1.651 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1C/C(C)=C/C(=O)OC ZINC000929658938 641388169 /nfs/dbraw/zinc/38/81/69/641388169.db2.gz FBPNYZKYNSETEH-PFEDMVJOSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1COCC[N@H+]1C/C(C)=C/C(=O)OC ZINC000929658938 641388171 /nfs/dbraw/zinc/38/81/71/641388171.db2.gz FBPNYZKYNSETEH-PFEDMVJOSA-N 1 2 227.304 1.217 20 0 BDADLO COC/C(C)=C\C[N@H+](C)Cc1ccon1 ZINC000929697799 641404147 /nfs/dbraw/zinc/40/41/47/641404147.db2.gz VHLIZDXRDNTLOO-WMZJFQQLSA-N 1 2 210.277 1.699 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)Cc1ccon1 ZINC000929697799 641404152 /nfs/dbraw/zinc/40/41/52/641404152.db2.gz VHLIZDXRDNTLOO-WMZJFQQLSA-N 1 2 210.277 1.699 20 0 BDADLO COc1nnc(C[N@@H+]2C[C@H](C)C[C@H]2C)s1 ZINC000929697998 641404845 /nfs/dbraw/zinc/40/48/45/641404845.db2.gz YIGOZDMLHNXVQS-HTQZYQBOSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2C[C@H](C)C[C@H]2C)s1 ZINC000929697998 641404857 /nfs/dbraw/zinc/40/48/57/641404857.db2.gz YIGOZDMLHNXVQS-HTQZYQBOSA-N 1 2 227.333 1.777 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@]12C[C@H]1CCC2 ZINC000935488236 641418058 /nfs/dbraw/zinc/41/80/58/641418058.db2.gz MCAUSKFUESHYAO-UHIISALHSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(NCCCCO)c1cc2c[nH+]ccc2[nH]1 ZINC000935693257 641461441 /nfs/dbraw/zinc/46/14/41/641461441.db2.gz XMURAKFVGLYIJT-UHFFFAOYSA-N 1 2 233.271 1.065 20 0 BDADLO C[C@@H](c1nc([C@H]2CCCOC2)no1)[NH+](C)C ZINC000350852259 641502854 /nfs/dbraw/zinc/50/28/54/641502854.db2.gz CEFHRYOLKDWUNT-IUCAKERBSA-N 1 2 225.292 1.586 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)C=CCC1 ZINC000936024101 641519553 /nfs/dbraw/zinc/51/95/53/641519553.db2.gz FHFLMPXEBPYXJP-LBPRGKRZSA-N 1 2 219.288 1.393 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc3c2OCC3)C1 ZINC001030996943 641573196 /nfs/dbraw/zinc/57/31/96/641573196.db2.gz RVMYWVMYEWLVHB-UHFFFAOYSA-N 1 2 246.310 1.055 20 0 BDADLO CC[NH+]1CC(NC(=O)C2Cc3ccccc3C2)C1 ZINC001031000643 641578017 /nfs/dbraw/zinc/57/80/17/641578017.db2.gz LLLPVRHMWQTMJY-UHFFFAOYSA-N 1 2 244.338 1.222 20 0 BDADLO CNc1cc(N2C[C@H](C)C[C@@H]2C)nc[nH+]1 ZINC000158422575 641633756 /nfs/dbraw/zinc/63/37/56/641633756.db2.gz ATODRQZGNAGIQW-BDAKNGLRSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2C[C@H](C)C[C@@H]2C)[nH+]cn1 ZINC000158422575 641633760 /nfs/dbraw/zinc/63/37/60/641633760.db2.gz ATODRQZGNAGIQW-BDAKNGLRSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000158830273 641651977 /nfs/dbraw/zinc/65/19/77/641651977.db2.gz LJGBPTUYKNOQCE-UWVGGRQHSA-N 1 2 244.335 1.230 20 0 BDADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000158830273 641651980 /nfs/dbraw/zinc/65/19/80/641651980.db2.gz LJGBPTUYKNOQCE-UWVGGRQHSA-N 1 2 244.335 1.230 20 0 BDADLO CCCC[NH+]1CC(NC(=O)c2nccs2)C1 ZINC001031137268 641729005 /nfs/dbraw/zinc/72/90/05/641729005.db2.gz DYZADIYUWCQMJB-UHFFFAOYSA-N 1 2 239.344 1.357 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC001031178213 641777462 /nfs/dbraw/zinc/77/74/62/641777462.db2.gz OUAADCFZRGXJKV-YPMHNXCESA-N 1 2 224.348 1.489 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001031178210 641777785 /nfs/dbraw/zinc/77/77/85/641777785.db2.gz OUAADCFZRGXJKV-AAEUAGOBSA-N 1 2 224.348 1.489 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(F)nc2)cn1 ZINC000189286372 641800517 /nfs/dbraw/zinc/80/05/17/641800517.db2.gz WRGJOTJOARLXJC-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(F)nc2)cn1 ZINC000189286372 641800522 /nfs/dbraw/zinc/80/05/22/641800522.db2.gz WRGJOTJOARLXJC-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO CO[C@H]1C[N@H+](Cn2cc(Cl)cn2)CC[C@@H]1C ZINC000190189962 641850518 /nfs/dbraw/zinc/85/05/18/641850518.db2.gz MVALDOQSLAOIJA-ONGXEEELSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@H]1C[N@@H+](Cn2cc(Cl)cn2)CC[C@@H]1C ZINC000190189962 641850519 /nfs/dbraw/zinc/85/05/19/641850519.db2.gz MVALDOQSLAOIJA-ONGXEEELSA-N 1 2 243.738 1.851 20 0 BDADLO CCN(C(=O)c1ncoc1C)C1C[NH+](CC)C1 ZINC000949751356 641859658 /nfs/dbraw/zinc/85/96/58/641859658.db2.gz LZCIMZHIULYRQQ-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CC(=O)CCCC(=O)OCCc1c[nH+]cn1C ZINC000788048210 641867830 /nfs/dbraw/zinc/86/78/30/641867830.db2.gz WMQMCFITKUMNEI-UHFFFAOYSA-N 1 2 238.287 1.265 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)ccc2C)C1 ZINC001031308016 641885159 /nfs/dbraw/zinc/88/51/59/641885159.db2.gz JJQYTXAZUHXJMK-UHFFFAOYSA-N 1 2 232.327 1.737 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](CCC(C)=O)C1CC1 ZINC000190825643 641890152 /nfs/dbraw/zinc/89/01/52/641890152.db2.gz PYTVKPGLASCLKK-JTQLQIEISA-N 1 2 227.304 1.382 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](CCC(C)=O)C1CC1 ZINC000190825643 641890153 /nfs/dbraw/zinc/89/01/53/641890153.db2.gz PYTVKPGLASCLKK-JTQLQIEISA-N 1 2 227.304 1.382 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001031332180 641969832 /nfs/dbraw/zinc/96/98/32/641969832.db2.gz UETLEJZNQOOZIN-UHFFFAOYSA-N 1 2 245.326 1.393 20 0 BDADLO CCCC[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000916842157 641980588 /nfs/dbraw/zinc/98/05/88/641980588.db2.gz RMWWHIWOPSFHHP-UHFFFAOYSA-N 1 2 247.342 1.835 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(c3ccccc3)CC2)C1 ZINC001031352865 641990387 /nfs/dbraw/zinc/99/03/87/641990387.db2.gz IVOXFIOAPPFEAA-UHFFFAOYSA-N 1 2 244.338 1.539 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(-c3ccoc3)no2)O1 ZINC000924008010 642006259 /nfs/dbraw/zinc/00/62/59/642006259.db2.gz MADFQDVJPKNISO-WPRPVWTQSA-N 1 2 249.270 1.721 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ccoc3)no2)O1 ZINC000924008010 642006262 /nfs/dbraw/zinc/00/62/62/642006262.db2.gz MADFQDVJPKNISO-WPRPVWTQSA-N 1 2 249.270 1.721 20 0 BDADLO CC[N@@H+](CC=C(C)C)CCS(C)(=O)=O ZINC000154309855 642028166 /nfs/dbraw/zinc/02/81/66/642028166.db2.gz JVOWXMMLXQZCEK-UHFFFAOYSA-N 1 2 219.350 1.319 20 0 BDADLO CC[N@H+](CC=C(C)C)CCS(C)(=O)=O ZINC000154309855 642028170 /nfs/dbraw/zinc/02/81/70/642028170.db2.gz JVOWXMMLXQZCEK-UHFFFAOYSA-N 1 2 219.350 1.319 20 0 BDADLO O=C(C=C1CCCC1)NCCn1cc[nH+]c1 ZINC000917603032 642094384 /nfs/dbraw/zinc/09/43/84/642094384.db2.gz PXGURSZRUDCLDG-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)nc2C)C1 ZINC001031428931 642128501 /nfs/dbraw/zinc/12/85/01/642128501.db2.gz VBKUPURYXIZTGZ-UHFFFAOYSA-N 1 2 233.315 1.132 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001031451950 642171576 /nfs/dbraw/zinc/17/15/76/642171576.db2.gz AFVGUCLAIRFOSU-GDNZZTSVSA-N 1 2 238.375 1.879 20 0 BDADLO COC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000918608104 642232526 /nfs/dbraw/zinc/23/25/26/642232526.db2.gz CMJZPBOGQMAIBU-UHFFFAOYSA-N 1 2 249.314 1.928 20 0 BDADLO Cc1[nH]c(Cn2nnc(C(F)(F)F)n2)c(C)[nH+]1 ZINC000919050202 642296091 /nfs/dbraw/zinc/29/60/91/642296091.db2.gz HDCCDRHFBMJCOK-UHFFFAOYSA-N 1 2 246.196 1.080 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933215594 642395960 /nfs/dbraw/zinc/39/59/60/642395960.db2.gz STRZCSGWUSGQLA-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933215594 642395966 /nfs/dbraw/zinc/39/59/66/642395966.db2.gz STRZCSGWUSGQLA-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCn1cnc2c1CC[N@H+](CCOC(C)C)C2 ZINC000933254696 642424920 /nfs/dbraw/zinc/42/49/20/642424920.db2.gz BVDVSFODTFGSAI-UHFFFAOYSA-N 1 2 237.347 1.686 20 0 BDADLO CCn1cnc2c1CC[N@@H+](CCOC(C)C)C2 ZINC000933254696 642424924 /nfs/dbraw/zinc/42/49/24/642424924.db2.gz BVDVSFODTFGSAI-UHFFFAOYSA-N 1 2 237.347 1.686 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cnoc1C)C2 ZINC000933259890 642428086 /nfs/dbraw/zinc/42/80/86/642428086.db2.gz TWVNHVHYPBUQGE-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO C[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891399159 642465651 /nfs/dbraw/zinc/46/56/51/642465651.db2.gz JSKYEIRLYDCKEF-JTQLQIEISA-N 1 2 216.288 1.966 20 0 BDADLO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000305733103 642684506 /nfs/dbraw/zinc/68/45/06/642684506.db2.gz KZYWCPXYYCDWIN-GXSJLCMTSA-N 1 2 235.287 1.605 20 0 BDADLO CC(C)COC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000305757373 642685927 /nfs/dbraw/zinc/68/59/27/642685927.db2.gz ARXYVKRDJOOUFC-LLVKDONJSA-N 1 2 243.347 1.278 20 0 BDADLO CC[C@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179513760 642723392 /nfs/dbraw/zinc/72/33/92/642723392.db2.gz HIJCJSZRNAXUDX-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO C[N@H+](CCc1ccccc1F)[C@H]1CCOC1=O ZINC000068866802 642803365 /nfs/dbraw/zinc/80/33/65/642803365.db2.gz ZTXPMMCHHVSGCQ-LBPRGKRZSA-N 1 2 237.274 1.616 20 0 BDADLO C[N@@H+](CCc1ccccc1F)[C@H]1CCOC1=O ZINC000068866802 642803368 /nfs/dbraw/zinc/80/33/68/642803368.db2.gz ZTXPMMCHHVSGCQ-LBPRGKRZSA-N 1 2 237.274 1.616 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)NC1=NCCS1 ZINC000170900975 642832645 /nfs/dbraw/zinc/83/26/45/642832645.db2.gz RHGIGYRSZPPREB-VIFPVBQESA-N 1 2 241.360 1.080 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)NC1=NCCS1 ZINC000170900975 642832647 /nfs/dbraw/zinc/83/26/47/642832647.db2.gz RHGIGYRSZPPREB-VIFPVBQESA-N 1 2 241.360 1.080 20 0 BDADLO CCC(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001009821611 642840528 /nfs/dbraw/zinc/84/05/28/642840528.db2.gz GAZBUFUABGSDGL-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO CCC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001009821611 642840532 /nfs/dbraw/zinc/84/05/32/642840532.db2.gz GAZBUFUABGSDGL-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO CC[N@@H+](CC(=O)OCC(C)C)C[C@H]1CCCO1 ZINC000181440768 642872143 /nfs/dbraw/zinc/87/21/43/642872143.db2.gz ZQRSEMGBYLQHTI-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@H+](CC(=O)OCC(C)C)C[C@H]1CCCO1 ZINC000181440768 642872146 /nfs/dbraw/zinc/87/21/46/642872146.db2.gz ZQRSEMGBYLQHTI-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182289764 642989373 /nfs/dbraw/zinc/98/93/73/642989373.db2.gz CQUQYLUNOHBAHL-RYUDHWBXSA-N 1 2 243.347 1.877 20 0 BDADLO COC(OC)[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000070652965 643053856 /nfs/dbraw/zinc/05/38/56/643053856.db2.gz NJMORHAGZQKAKK-SSDOTTSWSA-N 1 2 230.333 1.549 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932345774 643154985 /nfs/dbraw/zinc/15/49/85/643154985.db2.gz PSRZLTGFVPCLGI-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932345774 643154990 /nfs/dbraw/zinc/15/49/90/643154990.db2.gz PSRZLTGFVPCLGI-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCc1ccc(C[N@@H+]2CCC3(C2)OCCO3)nc1 ZINC000306615795 643198583 /nfs/dbraw/zinc/19/85/83/643198583.db2.gz PPZGITFRJGPUSP-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO CCc1ccc(C[N@H+]2CCC3(C2)OCCO3)nc1 ZINC000306615795 643198586 /nfs/dbraw/zinc/19/85/86/643198586.db2.gz PPZGITFRJGPUSP-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO O=C(C=C1CCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC001032346449 643549181 /nfs/dbraw/zinc/54/91/81/643549181.db2.gz IBMVNXJUQBWMJI-RYUDHWBXSA-N 1 2 238.306 1.351 20 0 BDADLO O=C(C=C1CCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC001032346449 643549183 /nfs/dbraw/zinc/54/91/83/643549183.db2.gz IBMVNXJUQBWMJI-RYUDHWBXSA-N 1 2 238.306 1.351 20 0 BDADLO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000049948595 643564291 /nfs/dbraw/zinc/56/42/91/643564291.db2.gz WEOBJQFDFKDQNS-WDEREUQCSA-N 1 2 209.293 1.375 20 0 BDADLO CC[C@@H]1C[NH+](CN2CCCC2=O)C[C@@H](CC)O1 ZINC000817364959 643572867 /nfs/dbraw/zinc/57/28/67/643572867.db2.gz IEYISZVQSJPUDP-VXGBXAGGSA-N 1 2 240.347 1.456 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000071947928 643579611 /nfs/dbraw/zinc/57/96/11/643579611.db2.gz KPXLYMLPHRVKDO-NSHDSACASA-N 1 2 206.220 1.756 20 0 BDADLO FCCn1cc(C[NH2+]Cc2nccs2)cn1 ZINC000921564063 643610485 /nfs/dbraw/zinc/61/04/85/643610485.db2.gz YXIXZDWLUUXVIJ-UHFFFAOYSA-N 1 2 240.307 1.599 20 0 BDADLO CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000970921048 643618785 /nfs/dbraw/zinc/61/87/85/643618785.db2.gz OECWOELFKWXINZ-CMPLNLGQSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000970921048 643618789 /nfs/dbraw/zinc/61/87/89/643618789.db2.gz OECWOELFKWXINZ-CMPLNLGQSA-N 1 2 248.330 1.090 20 0 BDADLO Cc1ccc(C[NH+]2CC(O)(C(C)C)C2)o1 ZINC000084376935 643660541 /nfs/dbraw/zinc/66/05/41/643660541.db2.gz UOKGKRNBTYJAHT-UHFFFAOYSA-N 1 2 209.289 1.791 20 0 BDADLO C[N@H+](Cn1c2ccccc2oc1=O)C1CC1 ZINC000073586116 643689147 /nfs/dbraw/zinc/68/91/47/643689147.db2.gz RLMVOGZCPDQKLK-UHFFFAOYSA-N 1 2 218.256 1.646 20 0 BDADLO C[N@@H+](Cn1c2ccccc2oc1=O)C1CC1 ZINC000073586116 643689149 /nfs/dbraw/zinc/68/91/49/643689149.db2.gz RLMVOGZCPDQKLK-UHFFFAOYSA-N 1 2 218.256 1.646 20 0 BDADLO c1cc(C[NH2+]Cc2nccc3c2CCCC3)n[nH]1 ZINC000921705385 643757811 /nfs/dbraw/zinc/75/78/11/643757811.db2.gz UIPZDZODWXJZSQ-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO CC(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001002201976 643810534 /nfs/dbraw/zinc/81/05/34/643810534.db2.gz CHQLBYIPJUBEKG-SNVBAGLBSA-N 1 2 248.330 1.138 20 0 BDADLO CSC[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000085988366 643881123 /nfs/dbraw/zinc/88/11/23/643881123.db2.gz PGIOJKRQHGPRPF-QMMMGPOBSA-N 1 2 228.317 1.462 20 0 BDADLO CS[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000085988046 643880243 /nfs/dbraw/zinc/88/02/43/643880243.db2.gz KIGKDWVCNFOTEL-ZETCQYMHSA-N 1 2 214.290 1.215 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC2(CCC2)O1 ZINC000922218553 643906854 /nfs/dbraw/zinc/90/68/54/643906854.db2.gz CCGXBADWOHTQCG-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC2(CCC2)O1 ZINC000922220100 643907049 /nfs/dbraw/zinc/90/70/49/643907049.db2.gz PYKMHUUPQLRMNK-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@]12CCCO2 ZINC000922312502 643966667 /nfs/dbraw/zinc/96/66/67/643966667.db2.gz ZXNWQQMFIKQYDT-YPMHNXCESA-N 1 2 249.314 1.170 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CCCOC2)c[nH+]1 ZINC000922411353 643988995 /nfs/dbraw/zinc/98/89/95/643988995.db2.gz ILEFHDBNQWRAFS-SNVBAGLBSA-N 1 2 236.271 1.134 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1cn(C)nc1C ZINC000091814555 643989100 /nfs/dbraw/zinc/98/91/00/643989100.db2.gz OERVMQMOSGFERX-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1cn(C)nc1C ZINC000091814555 643989104 /nfs/dbraw/zinc/98/91/04/643989104.db2.gz OERVMQMOSGFERX-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO CN(C)c1ccnc(C[NH2+]CC2(F)CC2)c1 ZINC000922479323 644000387 /nfs/dbraw/zinc/00/03/87/644000387.db2.gz NKWZWIPIGQBKJO-UHFFFAOYSA-N 1 2 223.295 1.739 20 0 BDADLO C[C@H](C(=O)OCc1ccc[nH+]c1N)C(F)(F)F ZINC000922496374 644004268 /nfs/dbraw/zinc/00/42/68/644004268.db2.gz BQQZQRLFPJSKRN-ZCFIWIBFSA-N 1 2 248.204 1.905 20 0 BDADLO CC1CC(C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922516678 644007845 /nfs/dbraw/zinc/00/78/45/644007845.db2.gz WDGVEQVLYWRWQR-UHFFFAOYSA-N 1 2 220.272 1.753 20 0 BDADLO COC[C@@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922521126 644012285 /nfs/dbraw/zinc/01/22/85/644012285.db2.gz GTMRJFNRCXXEFC-VIFPVBQESA-N 1 2 238.287 1.380 20 0 BDADLO CC(C)[C@@H](O)CC(=O)OCc1ccc[nH+]c1N ZINC000922550888 644018245 /nfs/dbraw/zinc/01/82/45/644018245.db2.gz WTJMCZAUBZQWPL-JTQLQIEISA-N 1 2 238.287 1.114 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922583498 644033663 /nfs/dbraw/zinc/03/36/63/644033663.db2.gz UDRRAGBJTXFRNF-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO Cn1ncc(C[NH2+][C@H](c2ccccn2)C2CC2)n1 ZINC000922584461 644037256 /nfs/dbraw/zinc/03/72/56/644037256.db2.gz KZTYFIGPDGIJKL-ZDUSSCGKSA-N 1 2 243.314 1.451 20 0 BDADLO CO[C@@H](C)CCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922601399 644038894 /nfs/dbraw/zinc/03/88/94/644038894.db2.gz ZKDQHACSXIFNAG-VIFPVBQESA-N 1 2 238.287 1.522 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922623828 644042403 /nfs/dbraw/zinc/04/24/03/644042403.db2.gz VFGFVKSYMJJELX-QWRGUYRKSA-N 1 2 234.299 1.999 20 0 BDADLO C[C@H]1C[C@H](C(=O)OCc2ccc(N)[nH+]c2)CO1 ZINC000922630507 644045286 /nfs/dbraw/zinc/04/52/86/644045286.db2.gz PEXZRFKUQYXDSJ-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C\[C@H]1CCOC1 ZINC000922777613 644093054 /nfs/dbraw/zinc/09/30/54/644093054.db2.gz WQXRRKFDQRLZIT-XOULXFPDSA-N 1 2 248.282 1.300 20 0 BDADLO C[C@]1(C(=O)OCc2ccc(N)[nH+]c2)CC1(F)F ZINC000922808247 644100787 /nfs/dbraw/zinc/10/07/87/644100787.db2.gz WUVLBQLPYVKVNO-SNVBAGLBSA-N 1 2 242.225 1.752 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@]1(C)CCCCO1 ZINC000922817259 644106989 /nfs/dbraw/zinc/10/69/89/644106989.db2.gz OKRIULLVPQIBGE-GFCCVEGCSA-N 1 2 223.320 1.767 20 0 BDADLO Nc1ccc(COC(=O)C23CC(C2)C3)c[nH+]1 ZINC000922897768 644184633 /nfs/dbraw/zinc/18/46/33/644184633.db2.gz CWNZLYCVVSIORA-UHFFFAOYSA-N 1 2 218.256 1.507 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1(C2CC2)CC1 ZINC000922945436 644197315 /nfs/dbraw/zinc/19/73/15/644197315.db2.gz XFSGAOIUXGILFL-UHFFFAOYSA-N 1 2 232.283 1.897 20 0 BDADLO Nc1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2)c1 ZINC000193375625 644237478 /nfs/dbraw/zinc/23/74/78/644237478.db2.gz NFEZKGDJTQUTFH-UHFFFAOYSA-N 1 2 247.258 1.486 20 0 BDADLO c1c[nH]c(C[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000091661769 644633534 /nfs/dbraw/zinc/63/35/34/644633534.db2.gz HIBGAUJPXIYSOX-LLVKDONJSA-N 1 2 228.299 1.972 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000765041931 644662237 /nfs/dbraw/zinc/66/22/37/644662237.db2.gz NYNLPOFONSPWQQ-LLVKDONJSA-N 1 2 247.298 1.680 20 0 BDADLO COc1ccccc1C[N@@H+]1CCCNC(=O)C1 ZINC000769116866 644679458 /nfs/dbraw/zinc/67/94/58/644679458.db2.gz WKHJSTRQHZCOJQ-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO COc1ccccc1C[N@H+]1CCCNC(=O)C1 ZINC000769116866 644679463 /nfs/dbraw/zinc/67/94/63/644679463.db2.gz WKHJSTRQHZCOJQ-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000248943999 644703562 /nfs/dbraw/zinc/70/35/62/644703562.db2.gz AGIAFLFVGSZEFI-ZJUUUORDSA-N 1 2 249.376 1.109 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000248943999 644703565 /nfs/dbraw/zinc/70/35/65/644703565.db2.gz AGIAFLFVGSZEFI-ZJUUUORDSA-N 1 2 249.376 1.109 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccncc1 ZINC000793243353 644801700 /nfs/dbraw/zinc/80/17/00/644801700.db2.gz TZNZMWZCGKFPOV-UHFFFAOYSA-N 1 2 231.255 1.215 20 0 BDADLO Cc1ccc(CC(=O)OCCc2c[nH+]cn2C)o1 ZINC000793240251 644801863 /nfs/dbraw/zinc/80/18/63/644801863.db2.gz YHCWSQQFKJWMQD-UHFFFAOYSA-N 1 2 248.282 1.650 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CC1CC1 ZINC000793243958 644802059 /nfs/dbraw/zinc/80/20/59/644802059.db2.gz WGGFDGBXLBTAIU-UHFFFAOYSA-N 1 2 208.261 1.306 20 0 BDADLO CCC(O)(CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000834289454 645136844 /nfs/dbraw/zinc/13/68/44/645136844.db2.gz CCDGHKICDIKMKL-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1cnccc1C ZINC000926524946 645254252 /nfs/dbraw/zinc/25/42/52/645254252.db2.gz GQMLFTRLVWOJIJ-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)OCC(F)F ZINC000845447835 645361095 /nfs/dbraw/zinc/36/10/95/645361095.db2.gz FWCCHTPXDBFAQM-UHFFFAOYSA-N 1 2 244.241 1.570 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000926800157 645437342 /nfs/dbraw/zinc/43/73/42/645437342.db2.gz WOUKFNFHHQUUOP-QPPQHZFASA-N 1 2 235.209 1.979 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2CCOC2=O)Cc2ccccc21 ZINC000857197781 645539378 /nfs/dbraw/zinc/53/93/78/645539378.db2.gz DCMUPOAZYYNUIG-GXFFZTMASA-N 1 2 231.295 1.921 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2CCOC2=O)Cc2ccccc21 ZINC000857197781 645539386 /nfs/dbraw/zinc/53/93/86/645539386.db2.gz DCMUPOAZYYNUIG-GXFFZTMASA-N 1 2 231.295 1.921 20 0 BDADLO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ncc[nH]1 ZINC000927098690 645549185 /nfs/dbraw/zinc/54/91/85/645549185.db2.gz CMGRTFOEFWHLHC-VIFPVBQESA-N 1 2 245.330 1.871 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927404683 645602069 /nfs/dbraw/zinc/60/20/69/645602069.db2.gz AJKNLRPGWQXUTL-NEPJUHHUSA-N 1 2 233.315 1.436 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N)[nH+]c2)CCO1 ZINC000927776881 645655608 /nfs/dbraw/zinc/65/56/08/645655608.db2.gz OMVWTXIAANBSSH-KOLCDFICSA-N 1 2 249.314 1.095 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777188 645655713 /nfs/dbraw/zinc/65/57/13/645655713.db2.gz RGTVOBRKJNLYFD-ZJUUUORDSA-N 1 2 235.331 1.962 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000928037969 645677251 /nfs/dbraw/zinc/67/72/51/645677251.db2.gz AMYDGDWLYUNGKF-ZIYJGFGOSA-N 1 2 233.315 1.421 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C ZINC000928645571 645852935 /nfs/dbraw/zinc/85/29/35/645852935.db2.gz WDFVKNKKSNOOOE-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)CC ZINC000928639266 645853330 /nfs/dbraw/zinc/85/33/30/645853330.db2.gz AKXZJWZYMSGGEN-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H](c1nc([C@@H]2CCO[C@@H](C)C2)no1)[NH+](C)C ZINC000923944288 645965615 /nfs/dbraw/zinc/96/56/15/645965615.db2.gz VCLVTXAHLMRILI-IVZWLZJFSA-N 1 2 239.319 1.975 20 0 BDADLO C[C@H](c1nc([C@H]2CCOC[C@@H]2C)no1)[NH+](C)C ZINC000924054883 645972345 /nfs/dbraw/zinc/97/23/45/645972345.db2.gz XNDWJOBFEUGBLX-AEJSXWLSSA-N 1 2 239.319 1.832 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC2(CCC2)CO1 ZINC000924111065 645982857 /nfs/dbraw/zinc/98/28/57/645982857.db2.gz BCMICANXPOWNGU-NSHDSACASA-N 1 2 249.314 1.028 20 0 BDADLO O=C(NC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929190631 645994310 /nfs/dbraw/zinc/99/43/10/645994310.db2.gz HLPLRLSARDRLKE-UHFFFAOYSA-N 1 2 201.229 1.455 20 0 BDADLO CCc1ncc(C[N@@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000929231963 646023807 /nfs/dbraw/zinc/02/38/07/646023807.db2.gz OBRJXGMHZJIQJU-JTQLQIEISA-N 1 2 237.303 1.077 20 0 BDADLO CCc1ncc(C[N@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000929231963 646023810 /nfs/dbraw/zinc/02/38/10/646023810.db2.gz OBRJXGMHZJIQJU-JTQLQIEISA-N 1 2 237.303 1.077 20 0 BDADLO CCC[N@H+](CCO)Cc1c(F)cncc1F ZINC000929273319 646052267 /nfs/dbraw/zinc/05/22/67/646052267.db2.gz QFZVVHXVSQVZMV-UHFFFAOYSA-N 1 2 230.258 1.564 20 0 BDADLO CCC[N@@H+](CCO)Cc1c(F)cncc1F ZINC000929273319 646052271 /nfs/dbraw/zinc/05/22/71/646052271.db2.gz QFZVVHXVSQVZMV-UHFFFAOYSA-N 1 2 230.258 1.564 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000929347031 646090853 /nfs/dbraw/zinc/09/08/53/646090853.db2.gz AUUVXFJSNXDWPH-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000929347031 646090856 /nfs/dbraw/zinc/09/08/56/646090856.db2.gz AUUVXFJSNXDWPH-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@@H](N[C@@H]1CC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955222 646141535 /nfs/dbraw/zinc/14/15/35/646141535.db2.gz NTOHLPLVGJPAHF-VXGBXAGGSA-N 1 2 248.374 1.963 20 0 BDADLO C[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955222 646141538 /nfs/dbraw/zinc/14/15/38/646141538.db2.gz NTOHLPLVGJPAHF-VXGBXAGGSA-N 1 2 248.374 1.963 20 0 BDADLO c1cn([C@H]2CCCN(Cc3nncs3)C2)c[nH+]1 ZINC000929532287 646177200 /nfs/dbraw/zinc/17/72/00/646177200.db2.gz LASGCEGUHRADPG-JTQLQIEISA-N 1 2 249.343 1.572 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCS(=O)CC2)c1 ZINC000929615307 646202180 /nfs/dbraw/zinc/20/21/80/646202180.db2.gz FQZPGBVYJIYXOT-UHFFFAOYSA-N 1 2 238.356 1.263 20 0 BDADLO CC[N@@H+](Cc1nnc(OC)s1)CC1CC1 ZINC000929623412 646207374 /nfs/dbraw/zinc/20/73/74/646207374.db2.gz BRDGKFFJIQHYAC-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO CC[N@H+](Cc1nnc(OC)s1)CC1CC1 ZINC000929623412 646207380 /nfs/dbraw/zinc/20/73/80/646207380.db2.gz BRDGKFFJIQHYAC-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO CC[N@H+](Cc1nncs1)CC(C)(C)O ZINC000929644634 646219532 /nfs/dbraw/zinc/21/95/32/646219532.db2.gz VQMPFERMTYNCLP-UHFFFAOYSA-N 1 2 215.322 1.131 20 0 BDADLO CC[N@@H+](Cc1nncs1)CC(C)(C)O ZINC000929644634 646219539 /nfs/dbraw/zinc/21/95/39/646219539.db2.gz VQMPFERMTYNCLP-UHFFFAOYSA-N 1 2 215.322 1.131 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929684839 646242208 /nfs/dbraw/zinc/24/22/08/646242208.db2.gz LBVIEGMKRMSRQU-NXEZZACHSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929684839 646242211 /nfs/dbraw/zinc/24/22/11/646242211.db2.gz LBVIEGMKRMSRQU-NXEZZACHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cnnn1C ZINC000925552199 646329448 /nfs/dbraw/zinc/32/94/48/646329448.db2.gz WASIZWCWAOOTNK-WPRPVWTQSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cnnn1C ZINC000925552199 646329451 /nfs/dbraw/zinc/32/94/51/646329451.db2.gz WASIZWCWAOOTNK-WPRPVWTQSA-N 1 2 246.318 1.266 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+]Cc1ncccc1F ZINC000925598831 646351482 /nfs/dbraw/zinc/35/14/82/646351482.db2.gz MRZGNHGZFSWNNF-NSHDSACASA-N 1 2 240.278 1.462 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOC1CC1 ZINC000929837473 646353473 /nfs/dbraw/zinc/35/34/73/646353473.db2.gz WPYCWGWTHGIDRK-JTQLQIEISA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOC1CC1 ZINC000929837473 646353476 /nfs/dbraw/zinc/35/34/76/646353476.db2.gz WPYCWGWTHGIDRK-JTQLQIEISA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000925636370 646380769 /nfs/dbraw/zinc/38/07/69/646380769.db2.gz YDQUGEVTSUNRQP-VHSXEESVSA-N 1 2 248.334 1.994 20 0 BDADLO c1cc(CC[N@@H+]2CCc3c[nH]nc3C2)sn1 ZINC000930068837 646420821 /nfs/dbraw/zinc/42/08/21/646420821.db2.gz LDGPWHRQTLKMPJ-UHFFFAOYSA-N 1 2 234.328 1.467 20 0 BDADLO c1cc(CC[N@H+]2CCc3c[nH]nc3C2)sn1 ZINC000930068837 646420822 /nfs/dbraw/zinc/42/08/22/646420822.db2.gz LDGPWHRQTLKMPJ-UHFFFAOYSA-N 1 2 234.328 1.467 20 0 BDADLO C[C@H](O)[C@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000930132295 646452470 /nfs/dbraw/zinc/45/24/70/646452470.db2.gz WEZRDNPOKNOYSQ-WCBMZHEXSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@H](O)[C@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000930132295 646452474 /nfs/dbraw/zinc/45/24/74/646452474.db2.gz WEZRDNPOKNOYSQ-WCBMZHEXSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000930132290 646453629 /nfs/dbraw/zinc/45/36/29/646453629.db2.gz WEZRDNPOKNOYSQ-PSASIEDQSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000930132290 646453633 /nfs/dbraw/zinc/45/36/33/646453633.db2.gz WEZRDNPOKNOYSQ-PSASIEDQSA-N 1 2 237.290 1.095 20 0 BDADLO OCC[C@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC000930190812 646484336 /nfs/dbraw/zinc/48/43/36/646484336.db2.gz LRADMHQLQIFIJI-NSHDSACASA-N 1 2 249.339 1.751 20 0 BDADLO C[C@H]([NH2+][C@@H]1CNOC1)c1cccnc1Cl ZINC000925864874 646516259 /nfs/dbraw/zinc/51/62/59/646516259.db2.gz UMFJHUICUBWRPZ-JGVFFNPUSA-N 1 2 227.695 1.289 20 0 BDADLO C[C@@H]1OC[C@@H]([NH2+]C2(C(F)F)CC2)[C@@H]1C ZINC000926364925 646621899 /nfs/dbraw/zinc/62/18/99/646621899.db2.gz PVFWIEQAVFHFDW-GJMOJQLCSA-N 1 2 205.248 1.797 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)OC(C)(C)C ZINC000724133565 711564391 /nfs/dbraw/zinc/56/43/91/711564391.db2.gz ZWSIWKPHAIJZRO-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)OC(C)(C)C ZINC000724133565 711564393 /nfs/dbraw/zinc/56/43/93/711564393.db2.gz ZWSIWKPHAIJZRO-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO Cc1nc(NC(=O)C[C@H]([NH3+])C(F)F)sc1C ZINC000724737891 711609972 /nfs/dbraw/zinc/60/99/72/711609972.db2.gz DENRKYRVLCQMLI-LURJTMIESA-N 1 2 249.286 1.681 20 0 BDADLO CC(C)CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724726301 711610186 /nfs/dbraw/zinc/61/01/86/711610186.db2.gz BWVIBLKORLRMQU-MRVPVSSYSA-N 1 2 222.279 1.521 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724413581 711736521 /nfs/dbraw/zinc/73/65/21/711736521.db2.gz MYUFGXFDFBYNBO-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030799079 711843149 /nfs/dbraw/zinc/84/31/49/711843149.db2.gz ZWCSVGWNCHNYBX-UHFFFAOYSA-N 1 2 236.359 1.943 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1Cl ZINC000707138007 712165468 /nfs/dbraw/zinc/16/54/68/712165468.db2.gz QJFANVIYQQYBIR-SECBINFHSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H]([NH2+]C1CCC(O)CC1)C(=O)OC(C)(C)C ZINC000707231935 712167142 /nfs/dbraw/zinc/16/71/42/712167142.db2.gz SSEFIXZGAUURJI-WHXUTIOJSA-N 1 2 243.347 1.610 20 0 BDADLO C[C@H]([NH2+]Cc1ccoc1)c1cn(C)cn1 ZINC000709985870 712237203 /nfs/dbraw/zinc/23/72/03/712237203.db2.gz HYVKFYLSCCXJDK-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO COC(=O)c1sccc1C[NH2+]CCF ZINC000378761077 712360968 /nfs/dbraw/zinc/36/09/68/712360968.db2.gz UJBCZTOQAPTVIJ-UHFFFAOYSA-N 1 2 217.265 1.594 20 0 BDADLO CC[NH2+]Cc1noc(C(C)(C)COC)n1 ZINC000390752662 712427314 /nfs/dbraw/zinc/42/73/14/712427314.db2.gz DXVDPCDHTRAXGN-UHFFFAOYSA-N 1 2 213.281 1.103 20 0 BDADLO CCc1nc(C[NH2+]CC2OCCCO2)cs1 ZINC000716412656 712559108 /nfs/dbraw/zinc/55/91/08/712559108.db2.gz KUDQGHRFDNWERF-UHFFFAOYSA-N 1 2 242.344 1.558 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000813072416 712587418 /nfs/dbraw/zinc/58/74/18/712587418.db2.gz HKVZGQNFUXMXHB-UWVGGRQHSA-N 1 2 240.303 1.382 20 0 BDADLO C[C@@H](CC(=O)O[C@@H]1CCSC1)n1cc[nH+]c1 ZINC000845461062 712606902 /nfs/dbraw/zinc/60/69/02/712606902.db2.gz YXUKPRIYEDWHAY-VHSXEESVSA-N 1 2 240.328 1.883 20 0 BDADLO Cc1nc(N[C@H](C)c2ccns2)nc(N)[nH+]1 ZINC000717324547 712648897 /nfs/dbraw/zinc/64/88/97/712648897.db2.gz XGPILGRPPVNETM-RXMQYKEDSA-N 1 2 236.304 1.392 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)c2ccns2)[nH+]1 ZINC000717324547 712648898 /nfs/dbraw/zinc/64/88/98/712648898.db2.gz XGPILGRPPVNETM-RXMQYKEDSA-N 1 2 236.304 1.392 20 0 BDADLO C[C@H]([NH2+][C@H](CO)C1CCC1)C(=O)OC(C)(C)C ZINC000717640886 712662713 /nfs/dbraw/zinc/66/27/13/712662713.db2.gz BLHVPBSCGAGQAZ-GXSJLCMTSA-N 1 2 243.347 1.467 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C[C@@H](C)OC ZINC000389316374 712688994 /nfs/dbraw/zinc/68/89/94/712688994.db2.gz FAPSMLNQVMOTCD-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C[C@@H](C)OC ZINC000389316374 712688995 /nfs/dbraw/zinc/68/89/95/712688995.db2.gz FAPSMLNQVMOTCD-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO CO[C@@]1(CNc2cc[nH+]c(C)n2)CCSC1 ZINC000719278316 712802938 /nfs/dbraw/zinc/80/29/38/712802938.db2.gz ZYEVVUDKFXQUMG-LLVKDONJSA-N 1 2 239.344 1.719 20 0 BDADLO O=C(NC[C@H]1CC[N@H+]1C/C=C\Cl)C1CC1 ZINC001037996585 712897934 /nfs/dbraw/zinc/89/79/34/712897934.db2.gz MDPSATMEEXKFHV-LMQQOLRNSA-N 1 2 228.723 1.339 20 0 BDADLO O=C(NC[C@H]1CC[N@@H+]1C/C=C\Cl)C1CC1 ZINC001037996585 712897935 /nfs/dbraw/zinc/89/79/35/712897935.db2.gz MDPSATMEEXKFHV-LMQQOLRNSA-N 1 2 228.723 1.339 20 0 BDADLO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000381322057 710621739 /nfs/dbraw/zinc/62/17/39/710621739.db2.gz PCMIWLBKEGOCAJ-HOTUBEGUSA-N 1 2 227.304 1.095 20 0 BDADLO Nc1cc(COC(=O)/C=C/C2CC2)cc[nH+]1 ZINC000381429370 710635169 /nfs/dbraw/zinc/63/51/69/710635169.db2.gz WIDQYKBXELOLFO-ONEGZZNKSA-N 1 2 218.256 1.504 20 0 BDADLO CCOC1CC2(C[C@@H]2Nc2cc(NC)[nH+]cn2)C1 ZINC000721204225 712898789 /nfs/dbraw/zinc/89/87/89/712898789.db2.gz SOABQXGUXLFBMQ-QUNCOHTASA-N 1 2 248.330 1.888 20 0 BDADLO CCOC1CC2(C[C@@H]2Nc2cc(NC)nc[nH+]2)C1 ZINC000721204225 712898790 /nfs/dbraw/zinc/89/87/90/712898790.db2.gz SOABQXGUXLFBMQ-QUNCOHTASA-N 1 2 248.330 1.888 20 0 BDADLO CCOC1CC2(C[C@H]2Nc2cc(NC)[nH+]cn2)C1 ZINC000721204227 712898881 /nfs/dbraw/zinc/89/88/81/712898881.db2.gz SOABQXGUXLFBMQ-RUETXSTFSA-N 1 2 248.330 1.888 20 0 BDADLO CCOC1CC2(C[C@H]2Nc2cc(NC)nc[nH+]2)C1 ZINC000721204227 712898882 /nfs/dbraw/zinc/89/88/82/712898882.db2.gz SOABQXGUXLFBMQ-RUETXSTFSA-N 1 2 248.330 1.888 20 0 BDADLO OCC[C@H]([NH2+]Cc1ccon1)c1cccs1 ZINC000381514223 710649899 /nfs/dbraw/zinc/64/98/99/710649899.db2.gz ZIOZMBXDACYPCF-JTQLQIEISA-N 1 2 238.312 1.949 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000381540710 710652942 /nfs/dbraw/zinc/65/29/42/710652942.db2.gz IMANWRRGQAGVKS-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000381540710 710652946 /nfs/dbraw/zinc/65/29/46/710652946.db2.gz IMANWRRGQAGVKS-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO c1csc(NCCNc2cccc[nH+]2)n1 ZINC000393739978 710671786 /nfs/dbraw/zinc/67/17/86/710671786.db2.gz URFFMFQKNPLKFR-UHFFFAOYSA-N 1 2 220.301 1.484 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000380400513 712900386 /nfs/dbraw/zinc/90/03/86/712900386.db2.gz PLEIPMNYMALKOO-OBOPVNRVSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000380400513 712900387 /nfs/dbraw/zinc/90/03/87/712900387.db2.gz PLEIPMNYMALKOO-OBOPVNRVSA-N 1 2 227.304 1.215 20 0 BDADLO CCN1CCC[C@H](Nc2cccc[nH+]2)C1=O ZINC000722359444 710710009 /nfs/dbraw/zinc/71/00/09/710710009.db2.gz YDIFSFWWRDIMQO-JTQLQIEISA-N 1 2 219.288 1.504 20 0 BDADLO CNc1cc(N2CCO[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000380493453 712901444 /nfs/dbraw/zinc/90/14/44/712901444.db2.gz BGVFEDIKBCEEJT-IUCAKERBSA-N 1 2 222.292 1.132 20 0 BDADLO CNc1cc(N2CCO[C@@H](C)[C@@H]2C)[nH+]cn1 ZINC000380493453 712901445 /nfs/dbraw/zinc/90/14/45/712901445.db2.gz BGVFEDIKBCEEJT-IUCAKERBSA-N 1 2 222.292 1.132 20 0 BDADLO COC1(CC[NH2+][C@]2(C)CCOC2=O)CCC1 ZINC000382048439 710767789 /nfs/dbraw/zinc/76/77/89/710767789.db2.gz CSLRDDGPIOJRLQ-LLVKDONJSA-N 1 2 227.304 1.241 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)C2(C)CC2)C1 ZINC001042761981 710798015 /nfs/dbraw/zinc/79/80/15/710798015.db2.gz WBDKSFMJANMTES-UHFFFAOYSA-N 1 2 236.359 1.895 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ocnc2C2CC2)C1 ZINC001043869654 710814599 /nfs/dbraw/zinc/81/45/99/710814599.db2.gz MIIAZOMMHBOMMW-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@H](C)[C@H]2C)nc[nH+]1 ZINC000399781484 710911589 /nfs/dbraw/zinc/91/15/89/710911589.db2.gz OQFALOANIIHZEI-LPEHRKFASA-N 1 2 220.320 1.999 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@H](C)[C@H]2C)[nH+]cn1 ZINC000399781484 710911593 /nfs/dbraw/zinc/91/15/93/710911593.db2.gz OQFALOANIIHZEI-LPEHRKFASA-N 1 2 220.320 1.999 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388226022 711054646 /nfs/dbraw/zinc/05/46/46/711054646.db2.gz RNLJGAXJWCBYRW-JTQLQIEISA-N 1 2 229.320 1.032 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000388226022 711054649 /nfs/dbraw/zinc/05/46/49/711054649.db2.gz RNLJGAXJWCBYRW-JTQLQIEISA-N 1 2 229.320 1.032 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001068747597 711025068 /nfs/dbraw/zinc/02/50/68/711025068.db2.gz QKXGCLHXLNVEBP-GXSJLCMTSA-N 1 2 248.330 1.596 20 0 BDADLO CCCNc1cc(N2C[C@@H](C)[C@@H](O)C2)nc[nH+]1 ZINC000388257326 711056322 /nfs/dbraw/zinc/05/63/22/711056322.db2.gz LNSVNUFEWOMYLS-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CCCNc1cc(N2C[C@@H](C)[C@@H](O)C2)[nH+]cn1 ZINC000388257326 711056327 /nfs/dbraw/zinc/05/63/27/711056327.db2.gz LNSVNUFEWOMYLS-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000386885524 711037590 /nfs/dbraw/zinc/03/75/90/711037590.db2.gz GENPCQDAAWFJKI-NEPJUHHUSA-N 1 2 243.347 1.734 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000386885526 711038044 /nfs/dbraw/zinc/03/80/44/711038044.db2.gz GENPCQDAAWFJKI-NWDGAFQWSA-N 1 2 243.347 1.734 20 0 BDADLO Nc1cnc(C[N@@H+]2CCOCC23CCCC3)cn1 ZINC000388899082 711070532 /nfs/dbraw/zinc/07/05/32/711070532.db2.gz NAAHUNDGJORCGA-UHFFFAOYSA-N 1 2 248.330 1.204 20 0 BDADLO Nc1cnc(C[N@H+]2CCOCC23CCCC3)cn1 ZINC000388899082 711070535 /nfs/dbraw/zinc/07/05/35/711070535.db2.gz NAAHUNDGJORCGA-UHFFFAOYSA-N 1 2 248.330 1.204 20 0 BDADLO Nc1ccc(CCC(=O)OCCCF)c[nH+]1 ZINC000390178687 711107360 /nfs/dbraw/zinc/10/73/60/711107360.db2.gz JEQXAFBXOGRNOY-UHFFFAOYSA-N 1 2 226.251 1.330 20 0 BDADLO Nc1cc(COC(=O)c2nccs2)cc[nH+]1 ZINC000390291287 711111935 /nfs/dbraw/zinc/11/19/35/711111935.db2.gz YWWDYFFTRYZAPI-UHFFFAOYSA-N 1 2 235.268 1.308 20 0 BDADLO Cc1cc(C)c(C[NH2+]Cc2c[nH]cn2)cn1 ZINC000397041361 711375595 /nfs/dbraw/zinc/37/55/95/711375595.db2.gz VXAYDZIDQREGOX-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO CNc1cc(N[C@H](C)c2csnn2)nc[nH+]1 ZINC000398288270 711407208 /nfs/dbraw/zinc/40/72/08/711407208.db2.gz HECRFSLSQBIBKH-ZCFIWIBFSA-N 1 2 236.304 1.543 20 0 BDADLO CNc1cc(N[C@H](C)c2csnn2)[nH+]cn1 ZINC000398288270 711407211 /nfs/dbraw/zinc/40/72/11/711407211.db2.gz HECRFSLSQBIBKH-ZCFIWIBFSA-N 1 2 236.304 1.543 20 0 BDADLO CCC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001067008455 710598386 /nfs/dbraw/zinc/59/83/86/710598386.db2.gz KFQRVYSPEBMYJQ-GXSJLCMTSA-N 1 2 248.330 1.454 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CCSC2)cc[nH+]1 ZINC000381398600 710632108 /nfs/dbraw/zinc/63/21/08/710632108.db2.gz PNDAFJXXHFLWCV-SECBINFHSA-N 1 2 238.312 1.290 20 0 BDADLO Nc1cc(COC(=O)/C=C\C2CC2)cc[nH+]1 ZINC000381429363 710635705 /nfs/dbraw/zinc/63/57/05/710635705.db2.gz WIDQYKBXELOLFO-ARJAWSKDSA-N 1 2 218.256 1.504 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001038601148 710697864 /nfs/dbraw/zinc/69/78/64/710697864.db2.gz XLCAKBQJJMMTDO-GSKCAONESA-N 1 2 242.750 1.585 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001038601148 710697867 /nfs/dbraw/zinc/69/78/67/710697867.db2.gz XLCAKBQJJMMTDO-GSKCAONESA-N 1 2 242.750 1.585 20 0 BDADLO CC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001068994002 711030514 /nfs/dbraw/zinc/03/05/14/711030514.db2.gz YOARFCMLIJARIS-KWQFWETISA-N 1 2 234.303 1.206 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1cccc(C#N)c1 ZINC000389819333 711090725 /nfs/dbraw/zinc/09/07/25/711090725.db2.gz XZNQCDSPYWEESC-JTQLQIEISA-N 1 2 241.298 1.538 20 0 BDADLO CNc1cc(N[C@H]2COC(C)(C)C2)nc[nH+]1 ZINC000396497880 711222795 /nfs/dbraw/zinc/22/27/95/711222795.db2.gz PCVYNSKOOAOWLW-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO CNc1cc(N[C@H]2COC(C)(C)C2)[nH+]cn1 ZINC000396497880 711222799 /nfs/dbraw/zinc/22/27/99/711222799.db2.gz PCVYNSKOOAOWLW-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO C[C@@H]([N@H+](C)Cc1cnsn1)C(C)(C)O ZINC000399708172 711434173 /nfs/dbraw/zinc/43/41/73/711434173.db2.gz AVDFTTOQUDDQHM-SSDOTTSWSA-N 1 2 215.322 1.129 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1cnsn1)C(C)(C)O ZINC000399708172 711434174 /nfs/dbraw/zinc/43/41/74/711434174.db2.gz AVDFTTOQUDDQHM-SSDOTTSWSA-N 1 2 215.322 1.129 20 0 BDADLO CCc1nc(C)c(CNc2cc(NC)[nH+]cn2)o1 ZINC000385869702 711463979 /nfs/dbraw/zinc/46/39/79/711463979.db2.gz YNUIMCKUVRNZPO-UHFFFAOYSA-N 1 2 247.302 1.411 20 0 BDADLO CCc1nc(C)c(CNc2cc(NC)nc[nH+]2)o1 ZINC000385869702 711463982 /nfs/dbraw/zinc/46/39/82/711463982.db2.gz YNUIMCKUVRNZPO-UHFFFAOYSA-N 1 2 247.302 1.411 20 0 BDADLO CC(C)[S@](C)(=O)=NC(=O)CCc1[nH]cc[nH+]1 ZINC000926058414 711479158 /nfs/dbraw/zinc/47/91/58/711479158.db2.gz QCCRBCMUYGLYQF-INIZCTEOSA-N 1 2 243.332 1.375 20 0 BDADLO CC(C)[S@@](C)(=O)=NC(=O)CCc1[nH]cc[nH+]1 ZINC000926058416 711479412 /nfs/dbraw/zinc/47/94/12/711479412.db2.gz QCCRBCMUYGLYQF-MRXNPFEDSA-N 1 2 243.332 1.375 20 0 BDADLO C[N@H+](CCO)Cc1nc(C(C)(C)C)co1 ZINC000724407459 711578903 /nfs/dbraw/zinc/57/89/03/711578903.db2.gz GCEVACLACUAYJY-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO C[N@@H+](CCO)Cc1nc(C(C)(C)C)co1 ZINC000724407459 711578905 /nfs/dbraw/zinc/57/89/05/711578905.db2.gz GCEVACLACUAYJY-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO CC(C)n1nccc1NC(=O)C[C@H]([NH3+])C(F)F ZINC000724740897 711610303 /nfs/dbraw/zinc/61/03/03/711610303.db2.gz RHRKTMVVCXNJBT-ZETCQYMHSA-N 1 2 246.261 1.385 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2cn[nH]c2C)C1 ZINC000724785960 711614962 /nfs/dbraw/zinc/61/49/62/711614962.db2.gz NGPNBIQQIVQEKH-CABZTGNLSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cn[nH]c2C)C1 ZINC000724785960 711614963 /nfs/dbraw/zinc/61/49/63/711614963.db2.gz NGPNBIQQIVQEKH-CABZTGNLSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931462323 711722942 /nfs/dbraw/zinc/72/29/42/711722942.db2.gz NREBWAFVPRUWIJ-IUCAKERBSA-N 1 2 246.318 1.219 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931462323 711722943 /nfs/dbraw/zinc/72/29/43/711722943.db2.gz NREBWAFVPRUWIJ-IUCAKERBSA-N 1 2 246.318 1.219 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724413581 711736519 /nfs/dbraw/zinc/73/65/19/711736519.db2.gz MYUFGXFDFBYNBO-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000924949425 711766798 /nfs/dbraw/zinc/76/67/98/711766798.db2.gz LABADNCQDQQQJH-VXNVDRBHSA-N 1 2 249.318 1.832 20 0 BDADLO CC(C)(O)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000721778319 711769414 /nfs/dbraw/zinc/76/94/14/711769414.db2.gz QFCJPVGRTNFSEF-VIFPVBQESA-N 1 2 224.279 1.818 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2nc(C(F)F)no2)[C@H](C)O1 ZINC000895724807 711781191 /nfs/dbraw/zinc/78/11/91/711781191.db2.gz ICIVJLUSGWPQSG-VQVTYTSYSA-N 1 2 247.245 1.663 20 0 BDADLO CCOC1CC2(C[C@H]2Nc2nc(C)[nH+]c(N)n2)C1 ZINC000721250683 711794771 /nfs/dbraw/zinc/79/47/71/711794771.db2.gz QDDWMVOLPJNXNF-NBBOBHDQSA-N 1 2 249.318 1.132 20 0 BDADLO CCOC1CC2(C[C@H]2Nc2nc(N)nc(C)[nH+]2)C1 ZINC000721250683 711794772 /nfs/dbraw/zinc/79/47/72/711794772.db2.gz QDDWMVOLPJNXNF-NBBOBHDQSA-N 1 2 249.318 1.132 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001030098944 711826431 /nfs/dbraw/zinc/82/64/31/711826431.db2.gz NKCSQESSOJEEGR-JTQLQIEISA-N 1 2 208.305 1.163 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061589186 711839085 /nfs/dbraw/zinc/83/90/85/711839085.db2.gz UWONAIWWLVMUNA-RKDXNWHRSA-N 1 2 217.334 1.423 20 0 BDADLO CC[C@](C)(O)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494552 711935589 /nfs/dbraw/zinc/93/55/89/711935589.db2.gz LGKMDZWHUBAEGU-CABZTGNLSA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000450724437 711946212 /nfs/dbraw/zinc/94/62/12/711946212.db2.gz NQGFDFUSIKVSPK-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC12CCC2 ZINC000721291297 711958879 /nfs/dbraw/zinc/95/88/79/711958879.db2.gz BYZQHQCZPYRVGC-SSDOTTSWSA-N 1 2 220.276 1.422 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC12CCC2 ZINC000721291297 711958880 /nfs/dbraw/zinc/95/88/80/711958880.db2.gz BYZQHQCZPYRVGC-SSDOTTSWSA-N 1 2 220.276 1.422 20 0 BDADLO CCn1c[nH+]cc1CNc1nnc(C)n1C1CC1 ZINC000922665229 711975160 /nfs/dbraw/zinc/97/51/60/711975160.db2.gz ZYIDZGGQISMUQP-UHFFFAOYSA-N 1 2 246.318 1.750 20 0 BDADLO CCO[C@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC000701791130 712029558 /nfs/dbraw/zinc/02/95/58/712029558.db2.gz BBTGZRJURGIZTK-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CCO[C@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC000701791130 712029560 /nfs/dbraw/zinc/02/95/60/712029560.db2.gz BBTGZRJURGIZTK-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO Cc1nc(NC[C@]2(C)CC2(C)C)nc(N)[nH+]1 ZINC000702406489 712050963 /nfs/dbraw/zinc/05/09/63/712050963.db2.gz SBDGSJIVHZQKHI-NSHDSACASA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@]2(C)CC2(C)C)[nH+]1 ZINC000702406489 712050965 /nfs/dbraw/zinc/05/09/65/712050965.db2.gz SBDGSJIVHZQKHI-NSHDSACASA-N 1 2 221.308 1.610 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cccc2c1OCC2 ZINC000703208606 712068462 /nfs/dbraw/zinc/06/84/62/712068462.db2.gz FTIMJLYCDNSJDU-UHFFFAOYSA-N 1 2 244.298 1.040 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@@H](C)O1 ZINC000703964539 712096608 /nfs/dbraw/zinc/09/66/08/712096608.db2.gz CAOJAINGCIVNLL-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@@H](C)O1 ZINC000703964539 712096610 /nfs/dbraw/zinc/09/66/10/712096610.db2.gz CAOJAINGCIVNLL-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1Cl ZINC000707138007 712165467 /nfs/dbraw/zinc/16/54/67/712165467.db2.gz QJFANVIYQQYBIR-SECBINFHSA-N 1 2 243.738 1.419 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)o1 ZINC000707797348 712178423 /nfs/dbraw/zinc/17/84/23/712178423.db2.gz LCQAOKPMTYLDLK-ZJUUUORDSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)o1 ZINC000707797348 712178425 /nfs/dbraw/zinc/17/84/25/712178425.db2.gz LCQAOKPMTYLDLK-ZJUUUORDSA-N 1 2 239.319 1.538 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709057836 712206632 /nfs/dbraw/zinc/20/66/32/712206632.db2.gz ALZLLNJDTBZWLU-MRVPVSSYSA-N 1 2 225.210 1.434 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709057836 712206633 /nfs/dbraw/zinc/20/66/33/712206633.db2.gz ALZLLNJDTBZWLU-MRVPVSSYSA-N 1 2 225.210 1.434 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@H](C)C2)[nH]c1C ZINC000709072428 712207579 /nfs/dbraw/zinc/20/75/79/712207579.db2.gz ZJZDOVAMOBIYAR-SECBINFHSA-N 1 2 223.320 1.495 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@H](C)C2)[nH]c1C ZINC000709072428 712207580 /nfs/dbraw/zinc/20/75/80/712207580.db2.gz ZJZDOVAMOBIYAR-SECBINFHSA-N 1 2 223.320 1.495 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H]1CCC1(OC)OC ZINC000710985641 712271483 /nfs/dbraw/zinc/27/14/83/712271483.db2.gz BVPORKWCQCDJTD-SNVBAGLBSA-N 1 2 239.319 1.144 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)C(=O)OC ZINC000711484634 712306253 /nfs/dbraw/zinc/30/62/53/712306253.db2.gz OGJHXWHLHIYZDY-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H](CF)C2)c1 ZINC000711503946 712307525 /nfs/dbraw/zinc/30/75/25/712307525.db2.gz HQSIMRRYEQEDTL-SNVBAGLBSA-N 1 2 210.252 1.370 20 0 BDADLO C[C@@H]([NH2+]CCOC1CC1)c1csnn1 ZINC000711737592 712321537 /nfs/dbraw/zinc/32/15/37/712321537.db2.gz QVTJIDMTSWVMJG-SSDOTTSWSA-N 1 2 213.306 1.368 20 0 BDADLO O[C@@H](C[NH2+]Cc1nccn1C1CC1)C(F)(F)F ZINC000711817061 712332828 /nfs/dbraw/zinc/33/28/28/712332828.db2.gz KMUGYBRMHXGHTG-QMMMGPOBSA-N 1 2 249.236 1.231 20 0 BDADLO CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)CC1 ZINC001063343077 712342881 /nfs/dbraw/zinc/34/28/81/712342881.db2.gz NFYNHGQIUJUYSR-HAQNSBGRSA-N 1 2 248.330 1.644 20 0 BDADLO CC(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001063426646 712343552 /nfs/dbraw/zinc/34/35/52/712343552.db2.gz AYVGJYAZHTVMDT-LLVKDONJSA-N 1 2 234.303 1.208 20 0 BDADLO C[C@@]1(O)CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000379312528 712373335 /nfs/dbraw/zinc/37/33/35/712373335.db2.gz AOTIKPFPUSHNEK-RXLGXGPVSA-N 1 2 210.104 1.762 20 0 BDADLO C[C@@]1(O)CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000379312528 712373337 /nfs/dbraw/zinc/37/33/37/712373337.db2.gz AOTIKPFPUSHNEK-RXLGXGPVSA-N 1 2 210.104 1.762 20 0 BDADLO Cc1nc([C@H](C)NC[C@@H]2CC[N@@H+]2C)cs1 ZINC000712535802 712442768 /nfs/dbraw/zinc/44/27/68/712442768.db2.gz WRMTXFGXTAWHNZ-WPRPVWTQSA-N 1 2 225.361 1.806 20 0 BDADLO Cc1nc([C@H](C)NC[C@@H]2CC[N@H+]2C)cs1 ZINC000712535802 712442769 /nfs/dbraw/zinc/44/27/69/712442769.db2.gz WRMTXFGXTAWHNZ-WPRPVWTQSA-N 1 2 225.361 1.806 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712797573 712449422 /nfs/dbraw/zinc/44/94/22/712449422.db2.gz UFTALAKSXHEVCC-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712797573 712449423 /nfs/dbraw/zinc/44/94/23/712449423.db2.gz UFTALAKSXHEVCC-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C=C/C=C/CCNC(=O)CCn1cc[nH+]c1 ZINC000713473141 712461850 /nfs/dbraw/zinc/46/18/50/712461850.db2.gz YILPHGGVUHBZBJ-ONEGZZNKSA-N 1 2 219.288 1.522 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713562483 712465047 /nfs/dbraw/zinc/46/50/47/712465047.db2.gz TXCUGSWBIDHTJD-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713562483 712465048 /nfs/dbraw/zinc/46/50/48/712465048.db2.gz TXCUGSWBIDHTJD-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO O=S1(=O)CCC[C@@H]1CCNc1cccc[nH+]1 ZINC000714347258 712483576 /nfs/dbraw/zinc/48/35/76/712483576.db2.gz JNTQJZVFMNGKEP-SNVBAGLBSA-N 1 2 240.328 1.461 20 0 BDADLO CCn1cc(C[NH2+]Cc2cnc(C)cc2C)nn1 ZINC000714939355 712501220 /nfs/dbraw/zinc/50/12/20/712501220.db2.gz FFACBKJLESHUAN-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cn(C)nn1 ZINC000715854513 712536645 /nfs/dbraw/zinc/53/66/45/712536645.db2.gz MLVVZIWYEGDYBM-VHSXEESVSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cn(C)nn1 ZINC000715932081 712543834 /nfs/dbraw/zinc/54/38/34/712543834.db2.gz BZCMZDGHQQSOGH-SFYZADRCSA-N 1 2 237.332 1.683 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1ccns1 ZINC000715974847 712550932 /nfs/dbraw/zinc/55/09/32/712550932.db2.gz GBEKIDDHXAOOOV-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccns1 ZINC000715974835 712551084 /nfs/dbraw/zinc/55/10/84/712551084.db2.gz FVYNREOZACEFQT-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)no1 ZINC000716794017 712573961 /nfs/dbraw/zinc/57/39/61/712573961.db2.gz JOPPMZWWNINYOU-GFCCVEGCSA-N 1 2 249.314 1.084 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@H](O)C(F)(F)F ZINC000866463156 712621576 /nfs/dbraw/zinc/62/15/76/712621576.db2.gz KEOZANAUVAYIQL-VQVTYTSYSA-N 1 2 237.225 1.372 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000379944880 712634747 /nfs/dbraw/zinc/63/47/47/712634747.db2.gz DAQBODHVGHUSJL-NXEZZACHSA-N 1 2 213.277 1.220 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000717219684 712639991 /nfs/dbraw/zinc/63/99/91/712639991.db2.gz NAYOBUFCDMAAKA-YTWAJWBKSA-N 1 2 233.315 1.361 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H](CO)C(C)(C)C ZINC000193098608 712727670 /nfs/dbraw/zinc/72/76/70/712727670.db2.gz YVKHFZXIWZZZKF-GHMZBOCLSA-N 1 2 245.363 1.715 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cc(C)co2)C1 ZINC000718569571 712774308 /nfs/dbraw/zinc/77/43/08/712774308.db2.gz SIXCCHOEUOFTHE-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO CCOC(=O)C[NH+]1CCC(CSC)CC1 ZINC000719232285 712800891 /nfs/dbraw/zinc/80/08/91/712800891.db2.gz NVAMLZFWGIWOHZ-UHFFFAOYSA-N 1 2 231.361 1.625 20 0 BDADLO Cn1nncc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719570312 712811181 /nfs/dbraw/zinc/81/11/81/712811181.db2.gz IZJAXJXBDQHAIE-UHFFFAOYSA-N 1 2 249.343 1.050 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](C)C(C)(C)OC ZINC000720102781 712828089 /nfs/dbraw/zinc/82/80/89/712828089.db2.gz PPDXXQZKJLQNAN-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccn1)C1CC1 ZINC001037981021 712895801 /nfs/dbraw/zinc/89/58/01/712895801.db2.gz PIIQSWAFXOKODF-ZDUSSCGKSA-N 1 2 245.326 1.182 20 0 BDADLO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccn1)C1CC1 ZINC001037981021 712895802 /nfs/dbraw/zinc/89/58/02/712895802.db2.gz PIIQSWAFXOKODF-ZDUSSCGKSA-N 1 2 245.326 1.182 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+](C)CC(=O)OC ZINC001208920385 957242353 /nfs/dbraw/zinc/24/23/53/957242353.db2.gz DBJKXPXORWSJIU-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+](C)CC(=O)OC ZINC001208920385 957242371 /nfs/dbraw/zinc/24/23/71/957242371.db2.gz DBJKXPXORWSJIU-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO Nc1cc(N2CC3(C2)CCCCC3)[nH+]cn1 ZINC001167179940 957523397 /nfs/dbraw/zinc/52/33/97/957523397.db2.gz MEBRMURXMQSZJL-UHFFFAOYSA-N 1 2 218.304 1.829 20 0 BDADLO CC(C)OCC[NH2+][C@@H](C)c1csnn1 ZINC000398334677 958215874 /nfs/dbraw/zinc/21/58/74/958215874.db2.gz OQXXQUPVMCKRMH-QMMMGPOBSA-N 1 2 215.322 1.614 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccoc2Cl)C1 ZINC000307586108 959292918 /nfs/dbraw/zinc/29/29/18/959292918.db2.gz OQUWHCZGTBYGAL-UHFFFAOYSA-N 1 2 228.679 1.367 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724787285 959523033 /nfs/dbraw/zinc/52/30/33/959523033.db2.gz QZIDFEQKFOKWKR-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC000724787285 959523057 /nfs/dbraw/zinc/52/30/57/959523057.db2.gz QZIDFEQKFOKWKR-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO OCc1ccc(F)c(Cn2cc[nH+]c2)c1 ZINC001167728348 960260717 /nfs/dbraw/zinc/26/07/17/960260717.db2.gz MGDHUAMDVIDAPG-UHFFFAOYSA-N 1 2 206.220 1.563 20 0 BDADLO COC1(C)CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203069776 960616222 /nfs/dbraw/zinc/61/62/22/960616222.db2.gz CYWUJPOIBSLWGM-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001140997191 960788399 /nfs/dbraw/zinc/78/83/99/960788399.db2.gz DYMKZKJALVRAMS-PSASIEDQSA-N 1 2 225.317 1.149 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001140997191 960788410 /nfs/dbraw/zinc/78/84/10/960788410.db2.gz DYMKZKJALVRAMS-PSASIEDQSA-N 1 2 225.317 1.149 20 0 BDADLO CC(=O)OCc1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC001141781661 961152572 /nfs/dbraw/zinc/15/25/72/961152572.db2.gz BMEOJQKYZSPRBB-SNVBAGLBSA-N 1 2 241.262 1.887 20 0 BDADLO CC(=O)OCc1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC001141781661 961152588 /nfs/dbraw/zinc/15/25/88/961152588.db2.gz BMEOJQKYZSPRBB-SNVBAGLBSA-N 1 2 241.262 1.887 20 0 BDADLO CN(C)C(=O)Sc1ccc(NC=[NH2+])nc1 ZINC001167865310 961335513 /nfs/dbraw/zinc/33/55/13/961335513.db2.gz ONWVTOKBRDQJPH-UHFFFAOYSA-N 1 2 224.289 1.874 20 0 BDADLO Cc1c(Cl)nc(N(C)C)nc1NC=[NH2+] ZINC001167865901 961343578 /nfs/dbraw/zinc/34/35/78/961343578.db2.gz XJYQSIGHXHHMCK-UHFFFAOYSA-N 1 2 213.672 1.523 20 0 BDADLO CCC[C@H](C)CC(=O)NC1C[NH+](CCOC)C1 ZINC001268258133 961502842 /nfs/dbraw/zinc/50/28/42/961502842.db2.gz XQSFSCIVHYWGFW-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC001142763503 961717037 /nfs/dbraw/zinc/71/70/37/961717037.db2.gz FCQRKXGTHOVRHP-UHFFFAOYSA-N 1 2 229.161 1.835 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccc(O)cn1 ZINC000132711961 962476336 /nfs/dbraw/zinc/47/63/36/962476336.db2.gz ZXTDDWXIPXADEU-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccc(O)cn1 ZINC000132711961 962476347 /nfs/dbraw/zinc/47/63/47/962476347.db2.gz ZXTDDWXIPXADEU-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO Cc1cc(NCC2COC2)nc(C(C)C)[nH+]1 ZINC001154634567 962820086 /nfs/dbraw/zinc/82/00/86/962820086.db2.gz VQANECSABWNTSZ-UHFFFAOYSA-N 1 2 221.304 1.967 20 0 BDADLO CCCCOCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156538436 963381091 /nfs/dbraw/zinc/38/10/91/963381091.db2.gz VILGDPPABDBTSQ-UHFFFAOYSA-N 1 2 239.319 1.405 20 0 BDADLO CCCCOCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156538436 963381105 /nfs/dbraw/zinc/38/11/05/963381105.db2.gz VILGDPPABDBTSQ-UHFFFAOYSA-N 1 2 239.319 1.405 20 0 BDADLO C[C@H]1C[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103298 963713424 /nfs/dbraw/zinc/71/34/24/963713424.db2.gz IDEQHGRRGNXMSB-GUBZILKMSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1C[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103298 963713431 /nfs/dbraw/zinc/71/34/31/963713431.db2.gz IDEQHGRRGNXMSB-GUBZILKMSA-N 1 2 235.274 1.256 20 0 BDADLO c1nc(N2CCCC2)cc(NC2CSC2)[nH+]1 ZINC001168360064 964557057 /nfs/dbraw/zinc/55/70/57/964557057.db2.gz SNASQBQPFUPCGW-UHFFFAOYSA-N 1 2 236.344 1.604 20 0 BDADLO c1nc(NC2CSC2)cc(N2CCCC2)[nH+]1 ZINC001168360064 964557060 /nfs/dbraw/zinc/55/70/60/964557060.db2.gz SNASQBQPFUPCGW-UHFFFAOYSA-N 1 2 236.344 1.604 20 0 BDADLO [NH3+]CCONc1ncc(Cl)cc1C(F)F ZINC001164407448 965871683 /nfs/dbraw/zinc/87/16/83/965871683.db2.gz IHUJOGYHGSKGKP-UHFFFAOYSA-N 1 2 237.637 1.975 20 0 BDADLO Fc1ccnc(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164488831 965896575 /nfs/dbraw/zinc/89/65/75/965896575.db2.gz MOSAFHMEAIRVTH-UHFFFAOYSA-N 1 2 231.221 1.266 20 0 BDADLO COCCOc1cc(N[C@H](C)CCO)cc[nH+]1 ZINC001165965882 966215069 /nfs/dbraw/zinc/21/50/69/966215069.db2.gz GQOXFTWTHPNTEX-SNVBAGLBSA-N 1 2 240.303 1.290 20 0 BDADLO Cc1csc(C[N@H+]2CCOC[C@@](C)(O)C2)n1 ZINC001204374766 966980181 /nfs/dbraw/zinc/98/01/81/966980181.db2.gz QZAPOZIFQHZKBL-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1c(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)cnn1C ZINC001204569632 967054147 /nfs/dbraw/zinc/05/41/47/967054147.db2.gz MAYNOASIJOMEJF-NWDGAFQWSA-N 1 2 241.310 1.023 20 0 BDADLO Cc1c(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)cnn1C ZINC001204569632 967054158 /nfs/dbraw/zinc/05/41/58/967054158.db2.gz MAYNOASIJOMEJF-NWDGAFQWSA-N 1 2 241.310 1.023 20 0 BDADLO COCCc1ccc(N2CCOCC2)[nH+]c1 ZINC001249938836 967177155 /nfs/dbraw/zinc/17/71/55/967177155.db2.gz PAWTXRDMBYRIQT-UHFFFAOYSA-N 1 2 222.288 1.107 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN2CC[C@H]1C2 ZINC001205862449 967861176 /nfs/dbraw/zinc/86/11/76/967861176.db2.gz BMOSEEZGNWVPSZ-ZDUSSCGKSA-N 1 2 217.316 1.280 20 0 BDADLO COc1ncc(C[NH+]2CC3(CCC3)C2)cn1 ZINC001206386715 968272751 /nfs/dbraw/zinc/27/27/51/968272751.db2.gz GKIVCVPIJFYFJG-UHFFFAOYSA-N 1 2 219.288 1.471 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c(F)n1 ZINC001230707212 968471081 /nfs/dbraw/zinc/47/10/81/968471081.db2.gz DDLIAEZAQXNIKI-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c(F)n1 ZINC001230707212 968471090 /nfs/dbraw/zinc/47/10/90/968471090.db2.gz DDLIAEZAQXNIKI-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO Cc1ncc(C[NH+]2CC3(CSC3)C2)n1C ZINC001206795440 968480633 /nfs/dbraw/zinc/48/06/33/968480633.db2.gz FLUITFXKXWOKOU-UHFFFAOYSA-N 1 2 223.345 1.277 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1ncc(F)cc1F ZINC001207089787 968622308 /nfs/dbraw/zinc/62/23/08/968622308.db2.gz BZDOCHQHPBCJKS-SNVBAGLBSA-N 1 2 242.269 1.707 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1ncc(F)cc1F ZINC001207089787 968622313 /nfs/dbraw/zinc/62/23/13/968622313.db2.gz BZDOCHQHPBCJKS-SNVBAGLBSA-N 1 2 242.269 1.707 20 0 BDADLO OC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC001207461190 968785113 /nfs/dbraw/zinc/78/51/13/968785113.db2.gz KWYPECCRDCIURR-QWRGUYRKSA-N 1 2 249.301 1.363 20 0 BDADLO OC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC001207461190 968785124 /nfs/dbraw/zinc/78/51/24/968785124.db2.gz KWYPECCRDCIURR-QWRGUYRKSA-N 1 2 249.301 1.363 20 0 BDADLO O=C1CCC[N@H+](CC2CCSCC2)C1 ZINC001207751973 968875243 /nfs/dbraw/zinc/87/52/43/968875243.db2.gz STJXHGNBYCYILE-UHFFFAOYSA-N 1 2 213.346 1.795 20 0 BDADLO O=C1CCC[N@@H+](CC2CCSCC2)C1 ZINC001207751973 968875252 /nfs/dbraw/zinc/87/52/52/968875252.db2.gz STJXHGNBYCYILE-UHFFFAOYSA-N 1 2 213.346 1.795 20 0 BDADLO FC1(F)CCN(C2C[NH+](C[C@H]3CCCO3)C2)C1 ZINC001207861259 968906827 /nfs/dbraw/zinc/90/68/27/968906827.db2.gz PFMNLJGTMKLPMA-LLVKDONJSA-N 1 2 246.301 1.191 20 0 BDADLO FC1(C2CC2)C[NH+](CCCn2cccn2)C1 ZINC001208081866 968984731 /nfs/dbraw/zinc/98/47/31/968984731.db2.gz JBRPGHRZIIDGKA-UHFFFAOYSA-N 1 2 223.295 1.707 20 0 BDADLO Fc1cccc(CC[N@@H+]2CCC23COC3)c1 ZINC001208197407 969127383 /nfs/dbraw/zinc/12/73/83/969127383.db2.gz LPYHXMCOMDWYDY-UHFFFAOYSA-N 1 2 221.275 1.843 20 0 BDADLO Fc1cccc(CC[N@H+]2CCC23COC3)c1 ZINC001208197407 969127397 /nfs/dbraw/zinc/12/73/97/969127397.db2.gz LPYHXMCOMDWYDY-UHFFFAOYSA-N 1 2 221.275 1.843 20 0 BDADLO C[C@H](C[NH+]1CC2(C1)CS(=O)C2)C(F)(F)F ZINC001208897143 969288413 /nfs/dbraw/zinc/28/84/13/969288413.db2.gz ZSKRZMBKPFVXCV-SSDOTTSWSA-N 1 2 241.278 1.249 20 0 BDADLO O=S1(=O)CC[C@@H]([NH+]2CC3(C2)CCCC3)C1 ZINC001254329783 969560097 /nfs/dbraw/zinc/56/00/97/969560097.db2.gz HNZUTTWWKBNYJN-SNVBAGLBSA-N 1 2 229.345 1.050 20 0 BDADLO [NH3+]CCONc1nc(Cl)ccc1Cl ZINC001156291965 969567257 /nfs/dbraw/zinc/56/72/57/969567257.db2.gz WWDLINJLRSQSHT-UHFFFAOYSA-N 1 2 222.075 1.691 20 0 BDADLO Cn1c[nH+]cc1NC(C)(C)C(=O)OC(C)(C)C ZINC001169578911 969782802 /nfs/dbraw/zinc/78/28/02/969782802.db2.gz SGSRLSWEKVXHDT-UHFFFAOYSA-N 1 2 239.319 1.952 20 0 BDADLO C[NH2+][C@@H]1CCN1C(F)(F)c1ccc(Cl)nn1 ZINC001156649243 969966056 /nfs/dbraw/zinc/96/60/56/969966056.db2.gz WYDAEBZWVHXIAJ-QMMMGPOBSA-N 1 2 248.664 1.431 20 0 BDADLO Cc1nc(NC2(CO)COC2)cc(C(C)C)[nH+]1 ZINC001157392796 970235938 /nfs/dbraw/zinc/23/59/38/970235938.db2.gz WBMZDBYUUPPKIL-UHFFFAOYSA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)Nc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243069426 970258927 /nfs/dbraw/zinc/25/89/27/970258927.db2.gz RKPNUMJZWQKHST-UHFFFAOYSA-N 1 2 216.244 1.441 20 0 BDADLO C[C@H](CC(F)(F)F)[NH+]1CC2(C1)CS(=O)C2 ZINC001255646273 970425792 /nfs/dbraw/zinc/42/57/92/970425792.db2.gz NARCYTDHXHCOOE-SSDOTTSWSA-N 1 2 241.278 1.392 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C1CCCCCC1)[C@@H](C)O ZINC001255881206 970544992 /nfs/dbraw/zinc/54/49/92/970544992.db2.gz FPGRRSZWYZHWCO-PWSUYJOCSA-N 1 2 243.347 1.611 20 0 BDADLO Cc1nc(N[C@@](C)(C(N)=O)C(C)C)cc[nH+]1 ZINC000304481848 970606061 /nfs/dbraw/zinc/60/60/61/970606061.db2.gz BAFRBSNUWICPOM-LLVKDONJSA-N 1 2 222.292 1.097 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]C[C@](C)(O)C(F)F)o1 ZINC001332366352 975074505 /nfs/dbraw/zinc/07/45/05/975074505.db2.gz XJAANONELOTFCJ-ANLVUFKYSA-N 1 2 235.234 1.045 20 0 BDADLO CC[NH+]1CC(Oc2cc(OC)ccn2)C1 ZINC001226821365 975100372 /nfs/dbraw/zinc/10/03/72/975100372.db2.gz UWTDHTZDEOMYFS-UHFFFAOYSA-N 1 2 208.261 1.173 20 0 BDADLO CCSC[C@H](C)[N@@H+]1CCCC(=O)C1 ZINC001173304219 975207044 /nfs/dbraw/zinc/20/70/44/975207044.db2.gz GDCUHFFKSWYWIK-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CCSC[C@H](C)[N@H+]1CCCC(=O)C1 ZINC001173304219 975207051 /nfs/dbraw/zinc/20/70/51/975207051.db2.gz GDCUHFFKSWYWIK-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CC[C@H]1CC[C@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001173287534 975251287 /nfs/dbraw/zinc/25/12/87/975251287.db2.gz KPQHAFCOZNUPTH-UWVGGRQHSA-N 1 2 231.361 1.294 20 0 BDADLO COC/C(C)=C\C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001332888081 975311293 /nfs/dbraw/zinc/31/12/93/975311293.db2.gz ZBFHVQQXTQPVEU-RDOCRHDPSA-N 1 2 225.292 1.621 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cccc(Cl)n2)C1 ZINC001227928014 975798788 /nfs/dbraw/zinc/79/87/88/975798788.db2.gz QMPIONFQAVUUEH-SECBINFHSA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cccc(Cl)n2)C1 ZINC001227928014 975798805 /nfs/dbraw/zinc/79/88/05/975798805.db2.gz QMPIONFQAVUUEH-SECBINFHSA-N 1 2 242.706 1.444 20 0 BDADLO COc1cc[nH+]c(Nc2cnn(C)c2C)c1 ZINC001174389817 976645949 /nfs/dbraw/zinc/64/59/49/976645949.db2.gz UFODNQBZHZPQSA-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccns1 ZINC001335848415 977300515 /nfs/dbraw/zinc/30/05/15/977300515.db2.gz XFRNCUPNAZAUJA-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccns1 ZINC001335848415 977300522 /nfs/dbraw/zinc/30/05/22/977300522.db2.gz XFRNCUPNAZAUJA-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1(C)CC1 ZINC001336196416 977556969 /nfs/dbraw/zinc/55/69/69/977556969.db2.gz CLYIMLALXJQPGQ-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO CCCOc1ncccc1C[NH+]1CC(CO)C1 ZINC001231863107 977768888 /nfs/dbraw/zinc/76/88/88/977768888.db2.gz NQOFILUVLPMODL-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO Cc1cc(C[N@@H+](C)C2COC2)cc(C)n1 ZINC001232000701 977835235 /nfs/dbraw/zinc/83/52/35/977835235.db2.gz SMJZUXJYGVOGAX-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO Cc1cc(C[N@H+](C)C2COC2)cc(C)n1 ZINC001232000701 977835236 /nfs/dbraw/zinc/83/52/36/977835236.db2.gz SMJZUXJYGVOGAX-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO CN1CC2(C1)CC[N@H+](Cc1cnsc1)C2 ZINC001232229290 977958349 /nfs/dbraw/zinc/95/83/49/977958349.db2.gz IIRZWFFTCMXPHO-UHFFFAOYSA-N 1 2 223.345 1.281 20 0 BDADLO CN1CC2(C1)CC[N@@H+](Cc1cnsc1)C2 ZINC001232229290 977958354 /nfs/dbraw/zinc/95/83/54/977958354.db2.gz IIRZWFFTCMXPHO-UHFFFAOYSA-N 1 2 223.345 1.281 20 0 BDADLO CCc1csc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)n1 ZINC001232468977 978120560 /nfs/dbraw/zinc/12/05/60/978120560.db2.gz HIKMISKNMNSCGA-ZJUUUORDSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1csc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)n1 ZINC001232468977 978120567 /nfs/dbraw/zinc/12/05/67/978120567.db2.gz HIKMISKNMNSCGA-ZJUUUORDSA-N 1 2 244.335 1.610 20 0 BDADLO C[N@@H+](Cc1c(Cl)ccnc1F)CC1COC1 ZINC001232618143 978193745 /nfs/dbraw/zinc/19/37/45/978193745.db2.gz JXRRYLYMZBUYDZ-UHFFFAOYSA-N 1 2 244.697 1.952 20 0 BDADLO C[N@H+](Cc1c(Cl)ccnc1F)CC1COC1 ZINC001232618143 978193749 /nfs/dbraw/zinc/19/37/49/978193749.db2.gz JXRRYLYMZBUYDZ-UHFFFAOYSA-N 1 2 244.697 1.952 20 0 BDADLO COC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001176994959 978266122 /nfs/dbraw/zinc/26/61/22/978266122.db2.gz FKLBTCNVVJELLY-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001176994959 978266129 /nfs/dbraw/zinc/26/61/29/978266129.db2.gz FKLBTCNVVJELLY-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ncc1O ZINC001233041090 978417424 /nfs/dbraw/zinc/41/74/24/978417424.db2.gz RDSCAGXURJQHIE-VIFPVBQESA-N 1 2 242.706 1.661 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(Cl)ncc1O ZINC001233041090 978417434 /nfs/dbraw/zinc/41/74/34/978417434.db2.gz RDSCAGXURJQHIE-VIFPVBQESA-N 1 2 242.706 1.661 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446877 978601188 /nfs/dbraw/zinc/60/11/88/978601188.db2.gz MHSYZEAEQVKTCJ-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446877 978601190 /nfs/dbraw/zinc/60/11/90/978601190.db2.gz MHSYZEAEQVKTCJ-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO C[C@]1(CO)CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446911 978603686 /nfs/dbraw/zinc/60/36/86/978603686.db2.gz NJSIOOLWJPNOQY-NSHDSACASA-N 1 2 241.722 1.334 20 0 BDADLO C[C@]1(CO)CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446911 978603688 /nfs/dbraw/zinc/60/36/88/978603688.db2.gz NJSIOOLWJPNOQY-NSHDSACASA-N 1 2 241.722 1.334 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc(C)c(C)s2)C1 ZINC001233684388 978674706 /nfs/dbraw/zinc/67/47/06/978674706.db2.gz JVDKSOSFYMHQEV-UHFFFAOYSA-N 1 2 238.356 1.685 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](C)C(F)(F)F ZINC000441158250 978819880 /nfs/dbraw/zinc/81/98/80/978819880.db2.gz PDLROUUTYAZJRD-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H](C)C(F)(F)F ZINC000441158250 978819882 /nfs/dbraw/zinc/81/98/82/978819882.db2.gz PDLROUUTYAZJRD-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1Cc1ncc(F)cn1 ZINC001235002141 978947930 /nfs/dbraw/zinc/94/79/30/978947930.db2.gz YBHWOYDBVNWPIN-SECBINFHSA-N 1 2 209.268 1.990 20 0 BDADLO C[C@@H]1CCCC[N@H+]1Cc1ncc(F)cn1 ZINC001235002141 978947940 /nfs/dbraw/zinc/94/79/40/978947940.db2.gz YBHWOYDBVNWPIN-SECBINFHSA-N 1 2 209.268 1.990 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc(Cl)cn1 ZINC001235415779 979037733 /nfs/dbraw/zinc/03/77/33/979037733.db2.gz CSMDYCHQXAMGOW-UHFFFAOYSA-N 1 2 229.711 1.598 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc(Cl)cn1 ZINC001235415779 979037736 /nfs/dbraw/zinc/03/77/36/979037736.db2.gz CSMDYCHQXAMGOW-UHFFFAOYSA-N 1 2 229.711 1.598 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)ncn1C ZINC001235568462 979096378 /nfs/dbraw/zinc/09/63/78/979096378.db2.gz OJXJUMFNZMVSJZ-NSHDSACASA-N 1 2 221.304 1.282 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)ncn1C ZINC001235568462 979096392 /nfs/dbraw/zinc/09/63/92/979096392.db2.gz OJXJUMFNZMVSJZ-NSHDSACASA-N 1 2 221.304 1.282 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2C[C@]2(F)Cl)c1 ZINC001181668269 979239614 /nfs/dbraw/zinc/23/96/14/979239614.db2.gz OVSJAAQPEDHXMN-PSASIEDQSA-N 1 2 245.685 1.003 20 0 BDADLO OCCCC[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001235985167 979264634 /nfs/dbraw/zinc/26/46/34/979264634.db2.gz JPJAOLRKJBOQNR-CIUDSAMLSA-N 1 2 239.237 1.163 20 0 BDADLO C[N@H+](CCO)Cc1cc(Cl)ncc1F ZINC001236255749 979475756 /nfs/dbraw/zinc/47/57/56/979475756.db2.gz QTXYNXABCAGLQS-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@@H+](CCO)Cc1cc(Cl)ncc1F ZINC001236255749 979475759 /nfs/dbraw/zinc/47/57/59/979475759.db2.gz QTXYNXABCAGLQS-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614703 979681907 /nfs/dbraw/zinc/68/19/07/979681907.db2.gz LANDZQDMBIVEJM-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614703 979681913 /nfs/dbraw/zinc/68/19/13/979681913.db2.gz LANDZQDMBIVEJM-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2CC[C@@H]2C)[nH]n1 ZINC001237035910 979808943 /nfs/dbraw/zinc/80/89/43/979808943.db2.gz SWKRRWLPMWGYPN-QMMMGPOBSA-N 1 2 223.276 1.181 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CC1OC=CC1=S ZINC001237183354 979832449 /nfs/dbraw/zinc/83/24/49/979832449.db2.gz IGLMGUQITAKPSD-ZETCQYMHSA-N 1 2 229.301 1.562 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CC1OC=CC1=S ZINC001237183354 979832452 /nfs/dbraw/zinc/83/24/52/979832452.db2.gz IGLMGUQITAKPSD-ZETCQYMHSA-N 1 2 229.301 1.562 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CC1OC=CC1=S ZINC001237181109 979832716 /nfs/dbraw/zinc/83/27/16/979832716.db2.gz DVNLVQFKRHGGOF-QMMMGPOBSA-N 1 2 240.328 1.231 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1CC1OC=CC1=S ZINC001237181109 979832717 /nfs/dbraw/zinc/83/27/17/979832717.db2.gz DVNLVQFKRHGGOF-QMMMGPOBSA-N 1 2 240.328 1.231 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001237652305 980012072 /nfs/dbraw/zinc/01/20/72/980012072.db2.gz RDVZDPYFOPWBDX-MWLCHTKSSA-N 1 2 241.310 1.124 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001237652305 980012084 /nfs/dbraw/zinc/01/20/84/980012084.db2.gz RDVZDPYFOPWBDX-MWLCHTKSSA-N 1 2 241.310 1.124 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](CC)CCC(=O)OC ZINC001237653511 980017530 /nfs/dbraw/zinc/01/75/30/980017530.db2.gz LEMXHYAOYIPAMY-UHFFFAOYSA-N 1 2 239.319 1.357 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cncnc1C ZINC001238173272 980204609 /nfs/dbraw/zinc/20/46/09/980204609.db2.gz MEVPSVGPPUPWER-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO C[C@H](NC(=O)NC1C[NH+](C)C1)C1CCCCC1 ZINC001186400712 980371353 /nfs/dbraw/zinc/37/13/53/980371353.db2.gz SXEVJOHYKBZYFG-JTQLQIEISA-N 1 2 239.363 1.568 20 0 BDADLO CO[C@@](C)([C@H](C)[NH2+]CC(=O)OC(C)C)C1CC1 ZINC001345042960 980530160 /nfs/dbraw/zinc/53/01/60/980530160.db2.gz ODJJVKSNPCSYEY-GWCFXTLKSA-N 1 2 243.347 1.731 20 0 BDADLO OC1C[NH+](Cc2ccc(CC(F)F)cc2)C1 ZINC001250391547 980910448 /nfs/dbraw/zinc/91/04/48/980910448.db2.gz FVJYDYKUONMAGJ-UHFFFAOYSA-N 1 2 227.254 1.671 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc[nH]2)CC(C)(C)C1 ZINC001347114639 980975575 /nfs/dbraw/zinc/97/55/75/980975575.db2.gz VHXRSXPIBFDRJD-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc[nH]2)CC(C)(C)C1 ZINC001347114639 980975581 /nfs/dbraw/zinc/97/55/81/980975581.db2.gz VHXRSXPIBFDRJD-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001347313871 981042588 /nfs/dbraw/zinc/04/25/88/981042588.db2.gz BFOQGHPECLRRCU-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO CCCOC(=O)NCCOc1cc[nH+]cc1 ZINC001194150354 981578130 /nfs/dbraw/zinc/57/81/30/981578130.db2.gz LXAJGWKMAYZXBV-UHFFFAOYSA-N 1 2 224.260 1.597 20 0 BDADLO CCn1c[nH+]cc1COC(=O)/C=C\SC ZINC001350333492 981931389 /nfs/dbraw/zinc/93/13/89/981931389.db2.gz JARDEBOGLHQGDP-PLNGDYQASA-N 1 2 226.301 1.823 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=O)OCCF ZINC001194958220 981991714 /nfs/dbraw/zinc/99/17/14/981991714.db2.gz NBQDDEKKWQLCLM-UHFFFAOYSA-N 1 2 229.255 1.311 20 0 BDADLO CC[C@](C)([NH2+]Cc1[nH]c(C)[nH+]c1C)C(=O)[O-] ZINC001594852217 982093489 /nfs/dbraw/zinc/09/34/89/982093489.db2.gz GVUWMXQGOMQQRD-NSHDSACASA-N 1 2 225.292 1.369 20 0 BDADLO CCNC(=S)Nc1ccc2[nH+]ccn2c1 ZINC001195308199 982190424 /nfs/dbraw/zinc/19/04/24/982190424.db2.gz ATPXXRNVYHMWIW-UHFFFAOYSA-N 1 2 220.301 1.641 20 0 BDADLO CC[C@H](C)CNC(=S)NCCn1cc[nH+]c1 ZINC001200235207 982721522 /nfs/dbraw/zinc/72/15/22/982721522.db2.gz RBJTXQSKYDXCKT-JTQLQIEISA-N 1 2 240.376 1.393 20 0 BDADLO C=CS(=O)(=O)Nc1c(C)[nH+]c2ccccn21 ZINC001198570062 982764607 /nfs/dbraw/zinc/76/46/07/982764607.db2.gz UXRMODNUHCWPOP-UHFFFAOYSA-N 1 2 237.284 1.528 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCCC(F)F ZINC001355385977 983483468 /nfs/dbraw/zinc/48/34/68/983483468.db2.gz RLPFHYIOTMZHQL-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO COC(=O)[C@@]1(C)COCC[N@@H+]1CC1CCCC1 ZINC001202191166 983592283 /nfs/dbraw/zinc/59/22/83/983592283.db2.gz XHOCJNOYTFILEK-CYBMUJFWSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)[C@@]1(C)COCC[N@H+]1CC1CCCC1 ZINC001202191166 983592292 /nfs/dbraw/zinc/59/22/92/983592292.db2.gz XHOCJNOYTFILEK-CYBMUJFWSA-N 1 2 241.331 1.441 20 0 BDADLO CCOCC[C@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172416120 974686613 /nfs/dbraw/zinc/68/66/13/974686613.db2.gz DLVSVEMEDUGITM-IVZWLZJFSA-N 1 2 207.264 1.793 20 0 BDADLO CCCOC(=O)C[NH2+][C@H](C)CCOCC ZINC001172422537 974697125 /nfs/dbraw/zinc/69/71/25/974697125.db2.gz UPJBTPOWJXSGQK-SNVBAGLBSA-N 1 2 217.309 1.344 20 0 BDADLO CC(C)COCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC001172456323 974820034 /nfs/dbraw/zinc/82/00/34/974820034.db2.gz ZSKOPCXVPASYQZ-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)COCC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC001172456324 974819703 /nfs/dbraw/zinc/81/97/03/974819703.db2.gz ZSKOPCXVPASYQZ-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)CCOCC(C)C ZINC001172458985 974824380 /nfs/dbraw/zinc/82/43/80/974824380.db2.gz IAJOCMDBTSDDLJ-NSHDSACASA-N 1 2 231.336 1.590 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc([C@H]2CCCO2)no1 ZINC001327619048 972672506 /nfs/dbraw/zinc/67/25/06/972672506.db2.gz OVNAMDIXMVQNDI-DTWKUNHWSA-N 1 2 241.291 1.346 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC2=CCCOC2)o1 ZINC001327897170 972798490 /nfs/dbraw/zinc/79/84/90/972798490.db2.gz DKIBISJDTMOWSH-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC2=CCCOC2)o1 ZINC001327897170 972798506 /nfs/dbraw/zinc/79/85/06/972798506.db2.gz DKIBISJDTMOWSH-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)CNC(=O)N2 ZINC001243476521 970772251 /nfs/dbraw/zinc/77/22/51/970772251.db2.gz SXEVQWPXISJXMT-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001256426993 970833748 /nfs/dbraw/zinc/83/37/48/970833748.db2.gz TVONUPXEWAEQKM-RYUDHWBXSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001256426993 970833755 /nfs/dbraw/zinc/83/37/55/970833755.db2.gz TVONUPXEWAEQKM-RYUDHWBXSA-N 1 2 247.342 1.175 20 0 BDADLO CC(C)Cc1nnc(C2([NH+](C)C)CC2)o1 ZINC001256449999 970848466 /nfs/dbraw/zinc/84/84/66/970848466.db2.gz IKHUVUZNYQVGRX-UHFFFAOYSA-N 1 2 209.293 1.819 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(CCn2cc[nH+]c2)o1 ZINC001256658021 970905842 /nfs/dbraw/zinc/90/58/42/970905842.db2.gz NQSFFLMSUIKVKA-RKDXNWHRSA-N 1 2 218.260 1.632 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(C2([NH+](C)C)CC2)o1 ZINC001256682375 970917381 /nfs/dbraw/zinc/91/73/81/970917381.db2.gz IVFJQDZUSFZCDB-HTQZYQBOSA-N 1 2 207.277 1.744 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1ccncc1)C1CC1 ZINC001256720902 970940614 /nfs/dbraw/zinc/94/06/14/970940614.db2.gz GROSENLCBOIGHI-GXFFZTMASA-N 1 2 248.326 1.554 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787603 970988667 /nfs/dbraw/zinc/98/86/67/970988667.db2.gz SHFAYLGPSMOLIP-CHWSQXEVSA-N 1 2 249.310 1.669 20 0 BDADLO CCC1CCC([N@@H+]2CCOC(=O)C2)CC1 ZINC001256876997 970995968 /nfs/dbraw/zinc/99/59/68/970995968.db2.gz YHEPQTRAULVJQZ-UHFFFAOYSA-N 1 2 211.305 1.814 20 0 BDADLO CCC1CCC([N@H+]2CCOC(=O)C2)CC1 ZINC001256876997 970995978 /nfs/dbraw/zinc/99/59/78/970995978.db2.gz YHEPQTRAULVJQZ-UHFFFAOYSA-N 1 2 211.305 1.814 20 0 BDADLO CC[NH+]1CC(OCC(=O)OC(C)(C)C)C1 ZINC001224673798 973848161 /nfs/dbraw/zinc/84/81/61/973848161.db2.gz SGABLOVYCWGJFO-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO CSc1cncc(C2=C[NH2+]CCC2)n1 ZINC001243949214 971032014 /nfs/dbraw/zinc/03/20/14/971032014.db2.gz UEMWURSSUQPIQT-UHFFFAOYSA-N 1 2 207.302 1.923 20 0 BDADLO c1ncc(N2CCOCC2)nc1C1=C[NH2+]CCC1 ZINC001243947969 971035305 /nfs/dbraw/zinc/03/53/05/971035305.db2.gz SYZLDBUFNQZVMY-UHFFFAOYSA-N 1 2 246.314 1.038 20 0 BDADLO CC1(C)CC(=O)N1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001329602794 973849842 /nfs/dbraw/zinc/84/98/42/973849842.db2.gz DNTBJNWGGNOMEM-OCAPTIKFSA-N 1 2 230.258 1.152 20 0 BDADLO CC1(C)CC(=O)N1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001329602794 973849846 /nfs/dbraw/zinc/84/98/46/973849846.db2.gz DNTBJNWGGNOMEM-OCAPTIKFSA-N 1 2 230.258 1.152 20 0 BDADLO NC(=O)c1c(F)cncc1C1=C[NH2+]CCC1 ZINC001243951101 971040469 /nfs/dbraw/zinc/04/04/69/971040469.db2.gz SPRDHBLPONIJSL-UHFFFAOYSA-N 1 2 221.235 1.044 20 0 BDADLO Cc1cn2cc(C3=C[NH2+]CCC3)ncc2n1 ZINC001243950424 971043513 /nfs/dbraw/zinc/04/35/13/971043513.db2.gz RWYSQEKGXUUULU-UHFFFAOYSA-N 1 2 214.272 1.762 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000403932351 971095544 /nfs/dbraw/zinc/09/55/44/971095544.db2.gz JVGRDKFIIHAZFF-PBWNMSGQSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000403932351 971095556 /nfs/dbraw/zinc/09/55/56/971095556.db2.gz JVGRDKFIIHAZFF-PBWNMSGQSA-N 1 2 241.331 1.605 20 0 BDADLO CCC[C@H](CC)[N@@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001257268211 971172361 /nfs/dbraw/zinc/17/23/61/971172361.db2.gz DXRZBRNRCMOCBH-AAEUAGOBSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@H](CC)[N@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001257268211 971172366 /nfs/dbraw/zinc/17/23/66/971172366.db2.gz DXRZBRNRCMOCBH-AAEUAGOBSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H](CC)[N@@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001257268214 971173086 /nfs/dbraw/zinc/17/30/86/971173086.db2.gz DXRZBRNRCMOCBH-YPMHNXCESA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H](CC)[N@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001257268214 971173090 /nfs/dbraw/zinc/17/30/90/971173090.db2.gz DXRZBRNRCMOCBH-YPMHNXCESA-N 1 2 243.347 1.829 20 0 BDADLO CCC(CC)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257295964 971185939 /nfs/dbraw/zinc/18/59/39/971185939.db2.gz GHXACKWRDMIEDL-WPRPVWTQSA-N 1 2 217.284 1.760 20 0 BDADLO CCC(CC)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257295964 971185951 /nfs/dbraw/zinc/18/59/51/971185951.db2.gz GHXACKWRDMIEDL-WPRPVWTQSA-N 1 2 217.284 1.760 20 0 BDADLO CNc1cc(N2CCCC(F)(F)C2)nc[nH+]1 ZINC000405064509 971193150 /nfs/dbraw/zinc/19/31/50/971193150.db2.gz VPAWTPQRALQDCK-UHFFFAOYSA-N 1 2 228.246 1.754 20 0 BDADLO CNc1cc(N2CCCC(F)(F)C2)[nH+]cn1 ZINC000405064509 971193153 /nfs/dbraw/zinc/19/31/53/971193153.db2.gz VPAWTPQRALQDCK-UHFFFAOYSA-N 1 2 228.246 1.754 20 0 BDADLO CCC[C@@H](C)[NH2+]CC(F)(F)C(=O)OCC ZINC001257307477 971197088 /nfs/dbraw/zinc/19/70/88/971197088.db2.gz NTNTXKGANZSTGC-MRVPVSSYSA-N 1 2 223.263 1.963 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)n[nH]1 ZINC001257312722 971204914 /nfs/dbraw/zinc/20/49/14/971204914.db2.gz YVOHATMENIJAOI-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)n[nH]1 ZINC001257312722 971204922 /nfs/dbraw/zinc/20/49/22/971204922.db2.gz YVOHATMENIJAOI-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO CCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001257317170 971214319 /nfs/dbraw/zinc/21/43/19/971214319.db2.gz SPYFBPHDCTXOHC-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001257317170 971214326 /nfs/dbraw/zinc/21/43/26/971214326.db2.gz SPYFBPHDCTXOHC-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO O=C1CCCCN1CCNc1cccc[nH+]1 ZINC000405370392 971246207 /nfs/dbraw/zinc/24/62/07/971246207.db2.gz YOTBCDGPIBKRTM-UHFFFAOYSA-N 1 2 219.288 1.506 20 0 BDADLO FCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000810133953 971315256 /nfs/dbraw/zinc/31/52/56/971315256.db2.gz STYXELSRRBFRLO-SECBINFHSA-N 1 2 217.675 1.753 20 0 BDADLO FCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000810133953 971315266 /nfs/dbraw/zinc/31/52/66/971315266.db2.gz STYXELSRRBFRLO-SECBINFHSA-N 1 2 217.675 1.753 20 0 BDADLO [NH3+][C@H](CO)c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001217697064 971335461 /nfs/dbraw/zinc/33/54/61/971335461.db2.gz UQVWRGWQVYMZKY-GMTAPVOTSA-N 1 2 245.282 1.333 20 0 BDADLO [NH3+][C@@H](CO)c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217700015 971340504 /nfs/dbraw/zinc/34/05/04/971340504.db2.gz ZBBPPZSBHHSAJG-NSHDSACASA-N 1 2 245.282 1.217 20 0 BDADLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H](C)CC)cn1 ZINC001257435657 971346119 /nfs/dbraw/zinc/34/61/19/971346119.db2.gz AHWZXCAXWWUFFL-KOLCDFICSA-N 1 2 239.319 1.287 20 0 BDADLO Cc1ccccc1Cc1nnc([C@H]([NH3+])[C@@H](C)O)o1 ZINC001217737407 971376790 /nfs/dbraw/zinc/37/67/90/971376790.db2.gz XYPWVQMKLBLHQU-BXKDBHETSA-N 1 2 247.298 1.349 20 0 BDADLO C[N@H+](CCNc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000062010538 948948444 /nfs/dbraw/zinc/94/84/44/948948444.db2.gz POXFVKJVPYRVEE-UHFFFAOYSA-N 1 2 235.287 1.286 20 0 BDADLO C[N@@H+](CCNc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000062010538 948948460 /nfs/dbraw/zinc/94/84/60/948948460.db2.gz POXFVKJVPYRVEE-UHFFFAOYSA-N 1 2 235.287 1.286 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC001258053883 971576954 /nfs/dbraw/zinc/57/69/54/971576954.db2.gz XIYDANMMNKZYOU-IJLUTSLNSA-N 1 2 245.363 1.571 20 0 BDADLO CNc1cc(-c2cnc3c(c2)CC(=O)N3)cc[nH+]1 ZINC001244974504 971580016 /nfs/dbraw/zinc/58/00/16/971580016.db2.gz YRNADGZWHMHXMM-UHFFFAOYSA-N 1 2 240.266 1.680 20 0 BDADLO C[C@H](C(=O)NC/C=C\C1CC1)n1cc[nH+]c1 ZINC001330461304 974271597 /nfs/dbraw/zinc/27/15/97/974271597.db2.gz LWESQNOMQOACOW-MXQLGCADSA-N 1 2 219.288 1.527 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2CCCC(F)(F)C2)CC1=O ZINC001172042577 974318942 /nfs/dbraw/zinc/31/89/42/974318942.db2.gz MODDFMSCNVITDC-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO CCN1CC[C@@H]([N@H+]2CCCC(F)(F)C2)CC1=O ZINC001172042577 974318954 /nfs/dbraw/zinc/31/89/54/974318954.db2.gz MODDFMSCNVITDC-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO Nc1ccccc1O[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218276377 971666677 /nfs/dbraw/zinc/66/66/77/971666677.db2.gz RMABENOSPNJQDC-QMMMGPOBSA-N 1 2 228.242 1.645 20 0 BDADLO O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CC3(F)F)CCN12 ZINC001172154366 974413299 /nfs/dbraw/zinc/41/32/99/974413299.db2.gz OHTGBFRJORPROB-IWSPIJDZSA-N 1 2 230.258 1.137 20 0 BDADLO CCC=CNc1cc[nH+]cc1C(=O)OC ZINC001170767093 971763522 /nfs/dbraw/zinc/76/35/22/971763522.db2.gz LACHOVUTTOARJM-GQCTYLIASA-N 1 2 206.245 1.626 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172217014 974439223 /nfs/dbraw/zinc/43/92/23/974439223.db2.gz UYKBUOTTWGRFCK-FGWVZKOKSA-N 1 2 241.331 1.628 20 0 BDADLO Cc1cc(-c2ccc3ncn(C)c3n2)c[nH+]c1N ZINC001245535344 971846998 /nfs/dbraw/zinc/84/69/98/971846998.db2.gz IZKZNJDARIWOTI-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO C[C@@H]1CC[C@@H]([NH+]2CC(S(C)(=O)=O)C2)C[C@@H]1C ZINC001172372026 974571362 /nfs/dbraw/zinc/57/13/62/974571362.db2.gz BRUBYSCEIVMVOZ-OUAUKWLOSA-N 1 2 245.388 1.540 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1ccc2c([nH+]1)CCOC2 ZINC001170823439 971916874 /nfs/dbraw/zinc/91/68/74/971916874.db2.gz WTZMVIQBBSHCLE-JQWIXIFHSA-N 1 2 248.326 1.991 20 0 BDADLO CC(C)c1cccnc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218799934 971940904 /nfs/dbraw/zinc/94/09/04/971940904.db2.gz CIYHWZKFCYYFJT-NSHDSACASA-N 1 2 249.314 1.132 20 0 BDADLO C[C@H](C(=O)Nc1ccc(CO)cc1)n1cc[nH+]c1 ZINC001219048877 971975694 /nfs/dbraw/zinc/97/56/94/971975694.db2.gz LOBHZFWTZXGIHC-SNVBAGLBSA-N 1 2 245.282 1.575 20 0 BDADLO CNc1cc(N(C)C[C@H]2CCCOC2)nc[nH+]1 ZINC000133622305 956868226 /nfs/dbraw/zinc/86/82/26/956868226.db2.gz CXQIUNLLRFGWAX-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N(C)C[C@H]2CCCOC2)[nH+]cn1 ZINC000133622305 956868240 /nfs/dbraw/zinc/86/82/40/956868240.db2.gz CXQIUNLLRFGWAX-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO O=C(/C=C\[C@@H]1CCOC1)OCCn1cc[nH+]c1 ZINC001344869182 956874902 /nfs/dbraw/zinc/87/49/02/956874902.db2.gz NWRWDDMJWIFCAG-RFMOXSJOSA-N 1 2 236.271 1.019 20 0 BDADLO C[NH+]1CCN(C(=O)c2onc3ccccc32)CC1 ZINC000098193015 957058468 /nfs/dbraw/zinc/05/84/68/957058468.db2.gz FLEPXRJOGFSFPT-UHFFFAOYSA-N 1 2 245.282 1.215 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1F ZINC001204055951 972253928 /nfs/dbraw/zinc/25/39/28/972253928.db2.gz RIRUPWZVONTNJM-QWRGUYRKSA-N 1 2 210.252 1.250 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1F ZINC001204055951 972253933 /nfs/dbraw/zinc/25/39/33/972253933.db2.gz RIRUPWZVONTNJM-QWRGUYRKSA-N 1 2 210.252 1.250 20 0 BDADLO COCCC[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001209054109 957304424 /nfs/dbraw/zinc/30/44/24/957304424.db2.gz WXJRXEARYMEEPB-XHNCKOQMSA-N 1 2 239.237 1.427 20 0 BDADLO COCCC[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001209054109 957304436 /nfs/dbraw/zinc/30/44/36/957304436.db2.gz WXJRXEARYMEEPB-XHNCKOQMSA-N 1 2 239.237 1.427 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)Cc1nccnc1N ZINC001140007604 957340048 /nfs/dbraw/zinc/34/00/48/957340048.db2.gz BPPXCRRDMMVQQP-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)Cc1nccnc1N ZINC001140007604 957340065 /nfs/dbraw/zinc/34/00/65/957340065.db2.gz BPPXCRRDMMVQQP-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO COCC[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001209212000 957360592 /nfs/dbraw/zinc/36/05/92/957360592.db2.gz NSNINCARZJDPEV-CYBMUJFWSA-N 1 2 246.310 1.146 20 0 BDADLO COCC[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001209212000 957360600 /nfs/dbraw/zinc/36/06/00/957360600.db2.gz NSNINCARZJDPEV-CYBMUJFWSA-N 1 2 246.310 1.146 20 0 BDADLO CC[N@@H+](CC=C(Cl)Cl)CCNC(C)=O ZINC001266367752 957391074 /nfs/dbraw/zinc/39/10/74/957391074.db2.gz JYPTYPSLUAKAQX-UHFFFAOYSA-N 1 2 239.146 1.763 20 0 BDADLO CC[N@H+](CC=C(Cl)Cl)CCNC(C)=O ZINC001266367752 957391083 /nfs/dbraw/zinc/39/10/83/957391083.db2.gz JYPTYPSLUAKAQX-UHFFFAOYSA-N 1 2 239.146 1.763 20 0 BDADLO CCN(Cc1cnc(Cl)s1)C1C[NH+](C)C1 ZINC001209472124 957482292 /nfs/dbraw/zinc/48/22/92/957482292.db2.gz JLTIJYWAKNRIPG-UHFFFAOYSA-N 1 2 245.779 1.932 20 0 BDADLO CN1C[C@H](Nc2cc3cc[nH]c3c[nH+]2)CCC1=O ZINC001167234638 957563880 /nfs/dbraw/zinc/56/38/80/957563880.db2.gz HMQJLSIPUQOHFB-SNVBAGLBSA-N 1 2 244.298 1.596 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2CCC(=O)N(C)C2)c1C ZINC001167246819 957581721 /nfs/dbraw/zinc/58/17/21/957581721.db2.gz ODCQZQPKYMQZAV-NSHDSACASA-N 1 2 233.315 1.731 20 0 BDADLO Cc1c[nH+]cc(N[C@@H]2CCC(=O)N(C)C2)c1C ZINC001167246818 957582440 /nfs/dbraw/zinc/58/24/40/957582440.db2.gz ODCQZQPKYMQZAV-LLVKDONJSA-N 1 2 233.315 1.731 20 0 BDADLO c1cn2ccc(NCc3cncnc3)cc2[nH+]1 ZINC001167261311 957604396 /nfs/dbraw/zinc/60/43/96/957604396.db2.gz LFGQXHBBSKYQLY-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO Cc1cc(C)c(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)cn1 ZINC000397398986 957621922 /nfs/dbraw/zinc/62/19/22/957621922.db2.gz FVPDECWFLMGASV-SCZZXKLOSA-N 1 2 248.286 1.129 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1F ZINC001207036856 957809520 /nfs/dbraw/zinc/80/95/20/957809520.db2.gz CVECFQLFJCKIQD-WDEREUQCSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1F ZINC001207036856 957809521 /nfs/dbraw/zinc/80/95/21/957809521.db2.gz CVECFQLFJCKIQD-WDEREUQCSA-N 1 2 228.242 1.125 20 0 BDADLO Cc1cccn2c(CN3C[C@@H]4C[C@H]3CO4)c[nH+]c12 ZINC001136964294 972304246 /nfs/dbraw/zinc/30/42/46/972304246.db2.gz HZOZJQBTEJUYGT-AAEUAGOBSA-N 1 2 243.310 1.616 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2cnccn2)o1 ZINC000398119447 958076786 /nfs/dbraw/zinc/07/67/86/958076786.db2.gz WEFDXTMENTXSEC-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1nccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001207163683 958270868 /nfs/dbraw/zinc/27/08/68/958270868.db2.gz MOCFOFKUUPUNFW-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccc(C[N@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001207163683 958270885 /nfs/dbraw/zinc/27/08/85/958270885.db2.gz MOCFOFKUUPUNFW-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO COc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)cn1 ZINC001137031940 972335849 /nfs/dbraw/zinc/33/58/49/972335849.db2.gz RCSBTKZRNDRYCN-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cn1 ZINC001137031940 972335857 /nfs/dbraw/zinc/33/58/57/972335857.db2.gz RCSBTKZRNDRYCN-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO Cc1cnnc(NCCNc2cccc[nH+]2)c1 ZINC000891562822 958463641 /nfs/dbraw/zinc/46/36/41/958463641.db2.gz WLVVJHMLEVSDSS-UHFFFAOYSA-N 1 2 229.287 1.704 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC000306598125 958669838 /nfs/dbraw/zinc/66/98/38/958669838.db2.gz OZQYVGKMRZTHLX-UHFFFAOYSA-N 1 2 228.679 1.367 20 0 BDADLO COc1ncc(Nc2[nH+]cc(C)cc2N)cc1O ZINC001216205775 958704411 /nfs/dbraw/zinc/70/44/11/958704411.db2.gz AAHDVBGMVQKTRP-UHFFFAOYSA-N 1 2 246.270 1.825 20 0 BDADLO CO[C@@H](C)CCC(=O)Nc1c(C)c[nH+]cc1C ZINC001349793407 958813648 /nfs/dbraw/zinc/81/36/48/958813648.db2.gz YTZKWYAAYBCYAO-NSHDSACASA-N 1 2 236.315 1.874 20 0 BDADLO C/C(=C\C=C\[NH3+])N[C@H](C)c1ncc(F)cn1 ZINC001171115596 972379612 /nfs/dbraw/zinc/37/96/12/972379612.db2.gz ZFYARFGDUOMULM-WUKHSJSMSA-N 1 2 222.267 1.643 20 0 BDADLO COC[C@H](C)OC[C@H](C)OCCn1cc[nH+]c1 ZINC001222138943 972380709 /nfs/dbraw/zinc/38/07/09/972380709.db2.gz MLTYLYFRAVDJAE-RYUDHWBXSA-N 1 2 242.319 1.340 20 0 BDADLO c1cn(CCOC[C@H]2CCC=CO2)c[nH+]1 ZINC001222135153 972382514 /nfs/dbraw/zinc/38/25/14/972382514.db2.gz WQAUSVXPEPRSJB-LLVKDONJSA-N 1 2 208.261 1.592 20 0 BDADLO c1cn(CCOC[C@H]2CCCCO2)c[nH+]1 ZINC001222134793 972383782 /nfs/dbraw/zinc/38/37/82/972383782.db2.gz OJNGHEKRHQCRJD-LLVKDONJSA-N 1 2 210.277 1.469 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(N)cn2)[C@@H](C)CO1 ZINC000403916688 958931105 /nfs/dbraw/zinc/93/11/05/958931105.db2.gz HBXOGQXOMLMWEM-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(N)cn2)[C@@H](C)CO1 ZINC000403916688 958931111 /nfs/dbraw/zinc/93/11/11/958931111.db2.gz HBXOGQXOMLMWEM-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CCOC(=O)c1ccc(COC2C[NH+](C)C2)cc1 ZINC001222157729 972395675 /nfs/dbraw/zinc/39/56/75/972395675.db2.gz BADOQSNKQTUUOP-UHFFFAOYSA-N 1 2 249.310 1.694 20 0 BDADLO Cc1cnc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC001327084592 972396070 /nfs/dbraw/zinc/39/60/70/972396070.db2.gz MJQZEMIDMZLMKK-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1cnc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC001327084592 972396078 /nfs/dbraw/zinc/39/60/78/972396078.db2.gz MJQZEMIDMZLMKK-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO C[N@H+](CCNC(=O)C1CC1)Cc1cncs1 ZINC001267182520 959069844 /nfs/dbraw/zinc/06/98/44/959069844.db2.gz GZSADZDVASURQT-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO C[N@@H+](CCNC(=O)C1CC1)Cc1cncs1 ZINC001267182520 959069859 /nfs/dbraw/zinc/06/98/59/959069859.db2.gz GZSADZDVASURQT-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO Nc1cc(CNc2cccnc2)cc[nH+]1 ZINC001167616832 959083406 /nfs/dbraw/zinc/08/34/06/959083406.db2.gz AOGHWBWKEWHXDC-UHFFFAOYSA-N 1 2 200.245 1.671 20 0 BDADLO Nc1cc(CNc2cncc3nnoc32)cc[nH+]1 ZINC001167618254 959087068 /nfs/dbraw/zinc/08/70/68/959087068.db2.gz GMAKVLNZOUSMQV-UHFFFAOYSA-N 1 2 242.242 1.207 20 0 BDADLO CC(=O)CNc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001167629922 959136109 /nfs/dbraw/zinc/13/61/09/959136109.db2.gz PLEPXWNAGGWPMH-UHFFFAOYSA-N 1 2 245.286 1.280 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1ccno1 ZINC001327105064 972410353 /nfs/dbraw/zinc/41/03/53/972410353.db2.gz MRMUXKDSKFTONM-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO CCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104446470 959235491 /nfs/dbraw/zinc/23/54/91/959235491.db2.gz LHGDLDRABWPYIX-SECBINFHSA-N 1 2 236.319 1.454 20 0 BDADLO CC(=O)[C@@H](C)CCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001327110948 972414028 /nfs/dbraw/zinc/41/40/28/972414028.db2.gz ZKLHLFMXWYDBCB-CMPLNLGQSA-N 1 2 243.347 1.731 20 0 BDADLO [NH3+][C@H](CC(=O)N(CC1CC1)CC1CC1)C(F)F ZINC000724741898 959354207 /nfs/dbraw/zinc/35/42/07/959354207.db2.gz BEUHPHZRVQJDFF-SNVBAGLBSA-N 1 2 246.301 1.618 20 0 BDADLO CCC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001143960034 972431996 /nfs/dbraw/zinc/43/19/96/972431996.db2.gz KMQBFFWCYZHBMS-SECBINFHSA-N 1 2 235.287 1.095 20 0 BDADLO C/C=C/C=C/C(=O)NCCOc1cc[nH+]cc1 ZINC001144009064 972460985 /nfs/dbraw/zinc/46/09/85/972460985.db2.gz ZJYWOQJBGNOIGW-MQQKCMAXSA-N 1 2 232.283 1.709 20 0 BDADLO CCOC(=O)C[NH+]1CC2(C1)CCCCC2 ZINC001207417320 959919915 /nfs/dbraw/zinc/91/99/15/959919915.db2.gz JYNQXCLWWOUGNZ-UHFFFAOYSA-N 1 2 211.305 1.816 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001267666901 960186095 /nfs/dbraw/zinc/18/60/95/960186095.db2.gz KFGNBFZHSTZJLX-CYBMUJFWSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ncc(CNCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000709056889 960240576 /nfs/dbraw/zinc/24/05/76/960240576.db2.gz NWRZTWGRHJELHC-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC001141130236 960354109 /nfs/dbraw/zinc/35/41/09/960354109.db2.gz FOPBYSWRLKQKDC-SNVBAGLBSA-N 1 2 208.261 1.476 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC001141130236 960354112 /nfs/dbraw/zinc/35/41/12/960354112.db2.gz FOPBYSWRLKQKDC-SNVBAGLBSA-N 1 2 208.261 1.476 20 0 BDADLO COc1ccc(C[NH+]2CCN(C#N)CC2)c(C)c1 ZINC001140680412 960493773 /nfs/dbraw/zinc/49/37/73/960493773.db2.gz BPUNVZNSPAFXJP-UHFFFAOYSA-N 1 2 245.326 1.602 20 0 BDADLO COc1nccc(C[N@H+](C)C2CC(F)(F)C2)n1 ZINC001140694802 960507828 /nfs/dbraw/zinc/50/78/28/960507828.db2.gz CBMVMMRVHQZLRJ-UHFFFAOYSA-N 1 2 243.257 1.715 20 0 BDADLO COc1nccc(C[N@@H+](C)C2CC(F)(F)C2)n1 ZINC001140694802 960507838 /nfs/dbraw/zinc/50/78/38/960507838.db2.gz CBMVMMRVHQZLRJ-UHFFFAOYSA-N 1 2 243.257 1.715 20 0 BDADLO c1cc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c[nH]1 ZINC001140706635 960510271 /nfs/dbraw/zinc/51/02/71/960510271.db2.gz XBVTXWYYYJEROG-CQSZACIVSA-N 1 2 249.358 1.311 20 0 BDADLO C[C@@H]1CN(C2C[NH+](Cc3cc[nH]c3)C2)C[C@H](C)O1 ZINC001140710942 960531816 /nfs/dbraw/zinc/53/18/16/960531816.db2.gz ZDNAALVLLSPVAP-TXEJJXNPSA-N 1 2 249.358 1.308 20 0 BDADLO C[C@@H]1C[N@H+](C2CN(Cc3cc[nH]c3)C2)C[C@H](C)O1 ZINC001140710942 960531827 /nfs/dbraw/zinc/53/18/27/960531827.db2.gz ZDNAALVLLSPVAP-TXEJJXNPSA-N 1 2 249.358 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C2CN(Cc3cc[nH]c3)C2)C[C@H](C)O1 ZINC001140710942 960531837 /nfs/dbraw/zinc/53/18/37/960531837.db2.gz ZDNAALVLLSPVAP-TXEJJXNPSA-N 1 2 249.358 1.308 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)n[nH]1 ZINC001203070221 960628733 /nfs/dbraw/zinc/62/87/33/960628733.db2.gz LJJSJBROLGRDRJ-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO CNc1nc(SC)ncc1C[N@@H+]1CC[C@H]1C ZINC001140836845 960628666 /nfs/dbraw/zinc/62/86/66/960628666.db2.gz VKJGIKBBZDJMBO-MRVPVSSYSA-N 1 2 238.360 1.834 20 0 BDADLO CNc1nc(SC)ncc1C[N@H+]1CC[C@H]1C ZINC001140836845 960628672 /nfs/dbraw/zinc/62/86/72/960628672.db2.gz VKJGIKBBZDJMBO-MRVPVSSYSA-N 1 2 238.360 1.834 20 0 BDADLO CCOC1C[NH+](Cc2[nH]cc(C)c2C)C1 ZINC001140859090 960637170 /nfs/dbraw/zinc/63/71/70/960637170.db2.gz UHHBGPYOSKLEBW-UHFFFAOYSA-N 1 2 208.305 1.852 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC(N3CCOCC3)C2)c1C ZINC001140860344 960643398 /nfs/dbraw/zinc/64/33/98/960643398.db2.gz QHPNMYCBIFXHRF-UHFFFAOYSA-N 1 2 249.358 1.148 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](CF)C2)n[nH]1 ZINC001203076474 960676217 /nfs/dbraw/zinc/67/62/17/960676217.db2.gz CEBVSNQCODMSKJ-JTQLQIEISA-N 1 2 211.284 1.900 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](CF)C2)n[nH]1 ZINC001203076474 960676222 /nfs/dbraw/zinc/67/62/22/960676222.db2.gz CEBVSNQCODMSKJ-JTQLQIEISA-N 1 2 211.284 1.900 20 0 BDADLO COC(=O)C1(C)CC(OCc2c[nH+]cn2C)C1 ZINC001222601072 960719595 /nfs/dbraw/zinc/71/95/95/960719595.db2.gz XRGQJCGYECYLRJ-UHFFFAOYSA-N 1 2 238.287 1.278 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@H]1C(C)C ZINC001140938034 960723529 /nfs/dbraw/zinc/72/35/29/960723529.db2.gz QJSZWOZWKLGTIQ-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@H]1C(C)C ZINC001140938034 960723546 /nfs/dbraw/zinc/72/35/46/960723546.db2.gz QJSZWOZWKLGTIQ-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC001203082996 960771990 /nfs/dbraw/zinc/77/19/90/960771990.db2.gz FIPDKJHWZVMCHR-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC001203082996 960771999 /nfs/dbraw/zinc/77/19/99/960771999.db2.gz FIPDKJHWZVMCHR-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc2cccc(O)c2n1 ZINC001141019382 960821827 /nfs/dbraw/zinc/82/18/27/960821827.db2.gz CRQWAPJZAOBJGH-UHFFFAOYSA-N 1 2 244.294 1.961 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc2cccc(O)c2n1 ZINC001141019382 960821831 /nfs/dbraw/zinc/82/18/31/960821831.db2.gz CRQWAPJZAOBJGH-UHFFFAOYSA-N 1 2 244.294 1.961 20 0 BDADLO O=C1CC[C@]2(CCC[N@H+](Cc3ncco3)C2)O1 ZINC001141010040 960813197 /nfs/dbraw/zinc/81/31/97/960813197.db2.gz BCYSFZUCRRYRAO-LBPRGKRZSA-N 1 2 236.271 1.346 20 0 BDADLO O=C1CC[C@]2(CCC[N@@H+](Cc3ncco3)C2)O1 ZINC001141010040 960813198 /nfs/dbraw/zinc/81/31/98/960813198.db2.gz BCYSFZUCRRYRAO-LBPRGKRZSA-N 1 2 236.271 1.346 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001141031348 960820000 /nfs/dbraw/zinc/82/00/00/960820000.db2.gz IFDBYAOIURJQLB-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1ccncc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001141031348 960820003 /nfs/dbraw/zinc/82/00/03/960820003.db2.gz IFDBYAOIURJQLB-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC001141130187 960880488 /nfs/dbraw/zinc/88/04/88/960880488.db2.gz BGFAKHNYIYMUPZ-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC001141130187 960880492 /nfs/dbraw/zinc/88/04/92/960880492.db2.gz BGFAKHNYIYMUPZ-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO Cc1ncc(CO)c(CNc2cccc[nH+]2)c1O ZINC001167817358 961114866 /nfs/dbraw/zinc/11/48/66/961114866.db2.gz ONJCNAUMTPZXQF-UHFFFAOYSA-N 1 2 245.282 1.595 20 0 BDADLO COC(=O)c1cnc(C[NH+]2CC3(CCC3)C2)cn1 ZINC001141820001 961158189 /nfs/dbraw/zinc/15/81/89/961158189.db2.gz XWRSGRKEKJAMPR-UHFFFAOYSA-N 1 2 247.298 1.249 20 0 BDADLO C[C@H](C(=O)N1CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000053898574 961176581 /nfs/dbraw/zinc/17/65/81/961176581.db2.gz DARAZUKVKXQCFD-GHMZBOCLSA-N 1 2 221.304 1.703 20 0 BDADLO c1cc2c(c(C[N@@H+]3CCOC4(CC4)C3)c1)OCO2 ZINC001141960185 961189302 /nfs/dbraw/zinc/18/93/02/961189302.db2.gz AJAUULWJLJFNKZ-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO c1cc2c(c(C[N@H+]3CCOC4(CC4)C3)c1)OCO2 ZINC001141960185 961189317 /nfs/dbraw/zinc/18/93/17/961189317.db2.gz AJAUULWJLJFNKZ-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO Nc1cc(NC=[NH2+])nc(C(F)(F)F)c1 ZINC001167864537 961335130 /nfs/dbraw/zinc/33/51/30/961335130.db2.gz OFYIVPKCPFVYTJ-UHFFFAOYSA-N 1 2 204.155 1.702 20 0 BDADLO COc1ccc2c(NC=[NH2+])ncnc2c1OC ZINC001167864370 961336919 /nfs/dbraw/zinc/33/69/19/961336919.db2.gz LNJSLIXAULMERT-UHFFFAOYSA-N 1 2 232.243 1.666 20 0 BDADLO CCCOCCNc1ccc2c([nH+]1)CCOC2 ZINC001167872848 961387484 /nfs/dbraw/zinc/38/74/84/961387484.db2.gz VYWJQJOEUPTNHQ-UHFFFAOYSA-N 1 2 236.315 1.993 20 0 BDADLO Cn1cc2c(cccc2C[NH+]2CCC(=O)CC2)n1 ZINC001142445304 961439641 /nfs/dbraw/zinc/43/96/41/961439641.db2.gz UAAFKTMRHFHSJY-UHFFFAOYSA-N 1 2 243.310 1.738 20 0 BDADLO CN(CC(F)(F)F)c1cc(N)nc[nH+]1 ZINC000087819794 961746757 /nfs/dbraw/zinc/74/67/57/961746757.db2.gz DIGFMBQTGMYJRV-UHFFFAOYSA-N 1 2 206.171 1.057 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1c1cc(N)nc[nH+]1 ZINC000087826460 961758307 /nfs/dbraw/zinc/75/83/07/961758307.db2.gz QRXMHKHVCAMZBO-DTWKUNHWSA-N 1 2 206.293 1.684 20 0 BDADLO CN(CCc1cccs1)c1cc(N)nc[nH+]1 ZINC000087838581 961765590 /nfs/dbraw/zinc/76/55/90/961765590.db2.gz DLVYSSYRMVCITP-UHFFFAOYSA-N 1 2 234.328 1.799 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142879157 961810696 /nfs/dbraw/zinc/81/06/96/961810696.db2.gz KWOCCHSVDOJWPL-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142879157 961810701 /nfs/dbraw/zinc/81/07/01/961810701.db2.gz KWOCCHSVDOJWPL-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO CC(=O)NC/C=C/C[NH2+]Cc1ncc(C2CC2)o1 ZINC001268501944 961888517 /nfs/dbraw/zinc/88/85/17/961888517.db2.gz HFZKQFSBFZMTJJ-NSCUHMNNSA-N 1 2 249.314 1.334 20 0 BDADLO COc1cc(C)cc(C[N@@H+]2CCC23COC3)c1 ZINC001143156764 961894375 /nfs/dbraw/zinc/89/43/75/961894375.db2.gz OKAVXDQAPPWSFJ-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO COc1cc(C)cc(C[N@H+]2CCC23COC3)c1 ZINC001143156764 961894376 /nfs/dbraw/zinc/89/43/76/961894376.db2.gz OKAVXDQAPPWSFJ-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC001167929930 962037468 /nfs/dbraw/zinc/03/74/68/962037468.db2.gz FIGVYSFOFAMFDQ-ILWJIGKKSA-N 1 2 207.277 1.608 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC001167929930 962037486 /nfs/dbraw/zinc/03/74/86/962037486.db2.gz FIGVYSFOFAMFDQ-ILWJIGKKSA-N 1 2 207.277 1.608 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncco2)CC1 ZINC000260116681 962137141 /nfs/dbraw/zinc/13/71/41/962137141.db2.gz QPWDLLVTTXFDBO-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncco2)CC1 ZINC000260116681 962137151 /nfs/dbraw/zinc/13/71/51/962137151.db2.gz QPWDLLVTTXFDBO-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203198568 962162040 /nfs/dbraw/zinc/16/20/40/962162040.db2.gz MDOSWFRBLMOCSG-NXEZZACHSA-N 1 2 206.293 1.427 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203198568 962162048 /nfs/dbraw/zinc/16/20/48/962162048.db2.gz MDOSWFRBLMOCSG-NXEZZACHSA-N 1 2 206.293 1.427 20 0 BDADLO FC1(F)C[C@H]2C[N@@H+](Cc3cnn[nH]3)C[C@H]2C1 ZINC001203199099 962164126 /nfs/dbraw/zinc/16/41/26/962164126.db2.gz WZEMWDXMKBDJRC-OCAPTIKFSA-N 1 2 228.246 1.282 20 0 BDADLO FC1(F)C[C@H]2C[N@H+](Cc3cnn[nH]3)C[C@H]2C1 ZINC001203199099 962164141 /nfs/dbraw/zinc/16/41/41/962164141.db2.gz WZEMWDXMKBDJRC-OCAPTIKFSA-N 1 2 228.246 1.282 20 0 BDADLO FC1(F)C[C@H]2C[N@@H+](Cc3c[nH]nn3)C[C@H]2C1 ZINC001203199099 962164155 /nfs/dbraw/zinc/16/41/55/962164155.db2.gz WZEMWDXMKBDJRC-OCAPTIKFSA-N 1 2 228.246 1.282 20 0 BDADLO FC1(F)C[C@H]2C[N@H+](Cc3c[nH]nn3)C[C@H]2C1 ZINC001203199099 962164164 /nfs/dbraw/zinc/16/41/64/962164164.db2.gz WZEMWDXMKBDJRC-OCAPTIKFSA-N 1 2 228.246 1.282 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(O)cn2)C[C@H](C)O1 ZINC000132465329 962433568 /nfs/dbraw/zinc/43/35/68/962433568.db2.gz GPOBTVJHJPLADR-AOOOYVTPSA-N 1 2 222.288 1.396 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(O)cn2)C[C@H](C)O1 ZINC000132465329 962433574 /nfs/dbraw/zinc/43/35/74/962433574.db2.gz GPOBTVJHJPLADR-AOOOYVTPSA-N 1 2 222.288 1.396 20 0 BDADLO Cn1c[nH+]cc1CN1CC2(C1)CCCCO2 ZINC001204382948 962728408 /nfs/dbraw/zinc/72/84/08/962728408.db2.gz UXBXHEJQXPXQFN-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)cc1F ZINC001269719854 962772320 /nfs/dbraw/zinc/77/23/20/962772320.db2.gz RUEAONVPJPJVRF-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)cc1F ZINC001269719854 962772329 /nfs/dbraw/zinc/77/23/29/962772329.db2.gz RUEAONVPJPJVRF-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO CSc1nc(NCC2COC2)cc(C)[nH+]1 ZINC001154631852 962815902 /nfs/dbraw/zinc/81/59/02/962815902.db2.gz HNSMXWIEXWJJLW-UHFFFAOYSA-N 1 2 225.317 1.565 20 0 BDADLO Nc1cc(N2CCc3ccsc3C2)[nH+]cn1 ZINC000712260140 962835416 /nfs/dbraw/zinc/83/54/16/962835416.db2.gz HTSAQEQVHYFBAA-UHFFFAOYSA-N 1 2 232.312 1.683 20 0 BDADLO FC1CC[NH+](Cc2cn3c(n2)COCC3)CC1 ZINC001141526675 962854080 /nfs/dbraw/zinc/85/40/80/962854080.db2.gz LKCWAUFQMHEHLN-UHFFFAOYSA-N 1 2 239.294 1.347 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001154808389 962857019 /nfs/dbraw/zinc/85/70/19/962857019.db2.gz IETZDTDZWSCTQU-OUAUKWLOSA-N 1 2 233.315 1.360 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)C[C@H]1CF ZINC001204383250 962891472 /nfs/dbraw/zinc/89/14/72/962891472.db2.gz BLWHEGHIGVOXRC-QMMMGPOBSA-N 1 2 233.237 1.599 20 0 BDADLO Cc1ccc(F)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001155193432 963015842 /nfs/dbraw/zinc/01/58/42/963015842.db2.gz HNTAWUQCNBOZHN-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccc(F)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001155193432 963015855 /nfs/dbraw/zinc/01/58/55/963015855.db2.gz HNTAWUQCNBOZHN-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2ccc(C3CC3)nn2)C1 ZINC001155195837 963016100 /nfs/dbraw/zinc/01/61/00/963016100.db2.gz DUVBPPVEELRKLB-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2ccc(C3CC3)nn2)C1 ZINC001155195837 963016115 /nfs/dbraw/zinc/01/61/15/963016115.db2.gz DUVBPPVEELRKLB-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO CSc1nc(N[C@H](C)CCO)cc(C)[nH+]1 ZINC001156450122 963353578 /nfs/dbraw/zinc/35/35/78/963353578.db2.gz QGVHMPXZQPAVBS-SSDOTTSWSA-N 1 2 227.333 1.690 20 0 BDADLO C[NH2+][C@H]1CCN1C(F)(F)c1nccc(Cl)n1 ZINC001156638910 963422037 /nfs/dbraw/zinc/42/20/37/963422037.db2.gz NPUAEGVUZACTBH-SSDOTTSWSA-N 1 2 248.664 1.431 20 0 BDADLO Cc1ncc(F)c(NCc2cc[nH+]c(N)c2)n1 ZINC001156756012 963453725 /nfs/dbraw/zinc/45/37/25/963453725.db2.gz NTLCYDHFBOUQKX-UHFFFAOYSA-N 1 2 233.250 1.513 20 0 BDADLO COc1cc(C)nc(NCc2cc[nH+]c(N)c2)n1 ZINC001156757051 963454910 /nfs/dbraw/zinc/45/49/10/963454910.db2.gz JCPRQKOAANUBDK-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1cccc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756041 963455528 /nfs/dbraw/zinc/45/55/28/963455528.db2.gz PEKHNBOAEHPAMS-UHFFFAOYSA-N 1 2 230.271 1.680 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001204384583 963457279 /nfs/dbraw/zinc/45/72/79/963457279.db2.gz ZOJVJVRUCLLBMB-WDEREUQCSA-N 1 2 229.274 1.692 20 0 BDADLO COC[C@H](CNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000896506228 963468386 /nfs/dbraw/zinc/46/83/86/963468386.db2.gz SSQGVTFUTIOGSL-VIFPVBQESA-N 1 2 239.323 1.093 20 0 BDADLO COC[C@H](CNc1nc(N)nc(C)[nH+]1)C(C)C ZINC000896506228 963468390 /nfs/dbraw/zinc/46/83/90/963468390.db2.gz SSQGVTFUTIOGSL-VIFPVBQESA-N 1 2 239.323 1.093 20 0 BDADLO Nc1[nH]c2cc(C(=O)N3CCCC3)ccc2[nH+]1 ZINC001156963845 963502804 /nfs/dbraw/zinc/50/28/04/963502804.db2.gz HSJYFBAVVVNRIX-UHFFFAOYSA-N 1 2 230.271 1.381 20 0 BDADLO CC[C@H](C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156974977 963504919 /nfs/dbraw/zinc/50/49/19/963504919.db2.gz DEULTTIFJDXGJF-ZETCQYMHSA-N 1 2 232.287 1.673 20 0 BDADLO COC(OC)c1cc(C)cnc1NC=[NH2+] ZINC001157078277 963526176 /nfs/dbraw/zinc/52/61/76/963526176.db2.gz KAEIKWKIFUFCJG-UHFFFAOYSA-N 1 2 209.249 1.700 20 0 BDADLO CO[C@@H](C)CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157120389 963537216 /nfs/dbraw/zinc/53/72/16/963537216.db2.gz WHHHSXLNHZEETF-VIFPVBQESA-N 1 2 239.319 1.574 20 0 BDADLO CO[C@@H](C)CC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157120389 963537225 /nfs/dbraw/zinc/53/72/25/963537225.db2.gz WHHHSXLNHZEETF-VIFPVBQESA-N 1 2 239.319 1.574 20 0 BDADLO CN(Cc1ccno1)c1ccc(Cl)c(N)[nH+]1 ZINC001157355243 963582421 /nfs/dbraw/zinc/58/24/21/963582421.db2.gz NWXIZFFFEWRQIG-UHFFFAOYSA-N 1 2 238.678 1.942 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168076657 963619337 /nfs/dbraw/zinc/61/93/37/963619337.db2.gz ZHQVGVMLWPFDDC-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1cnc(C)cn1 ZINC001157461317 963620642 /nfs/dbraw/zinc/62/06/42/963620642.db2.gz GCDBEBAYXVDRJU-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1nnccc1C ZINC001157460644 963620800 /nfs/dbraw/zinc/62/08/00/963620800.db2.gz YNNXNEAXIFXNNN-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@H]1COCCO1 ZINC001157482516 963629307 /nfs/dbraw/zinc/62/93/07/963629307.db2.gz XKHAVBIHRMMGLH-VIFPVBQESA-N 1 2 226.251 1.356 20 0 BDADLO CC(C)(C)C1CCN(C(=O)C2(F)C[NH2+]C2)CC1 ZINC001157688817 963702923 /nfs/dbraw/zinc/70/29/23/963702923.db2.gz JSWLCTYPMBOQJV-UHFFFAOYSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H]1c2ccccc2CCN1C(=O)C1(F)C[NH2+]C1 ZINC001157693791 963704869 /nfs/dbraw/zinc/70/48/69/963704869.db2.gz DZDPGNCUBULGKC-SNVBAGLBSA-N 1 2 248.301 1.444 20 0 BDADLO C[C@H]1C[C@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112090 963752437 /nfs/dbraw/zinc/75/24/37/963752437.db2.gz BSADXNZPKSCFHR-VHSXEESVSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@H]1C[C@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112090 963752440 /nfs/dbraw/zinc/75/24/40/963752440.db2.gz BSADXNZPKSCFHR-VHSXEESVSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@H]1C[C@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001168112090 963752446 /nfs/dbraw/zinc/75/24/46/963752446.db2.gz BSADXNZPKSCFHR-VHSXEESVSA-N 1 2 234.290 1.094 20 0 BDADLO COc1c[nH+]c(NC[C@H]2CC(=O)N(C)C2)c(C)c1 ZINC001157905943 963760182 /nfs/dbraw/zinc/76/01/82/963760182.db2.gz ZIOZCHTUROSKTM-SNVBAGLBSA-N 1 2 249.314 1.289 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)[C@@H]1C ZINC001088436277 963775323 /nfs/dbraw/zinc/77/53/23/963775323.db2.gz HTTKYUJFDBOKSY-SKDRFNHKSA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)[C@@H]1C ZINC001088436277 963775329 /nfs/dbraw/zinc/77/53/29/963775329.db2.gz HTTKYUJFDBOKSY-SKDRFNHKSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H]1CN(C(=O)C2(F)C[NH2+]C2)Cc2ccccc21 ZINC001157982049 963787762 /nfs/dbraw/zinc/78/77/62/963787762.db2.gz HYJNVNZYOLWKSR-JTQLQIEISA-N 1 2 248.301 1.444 20 0 BDADLO COc1cccnc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001206665632 963830831 /nfs/dbraw/zinc/83/08/31/963830831.db2.gz HJMCFOBWPLYNIC-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cccnc1C[N@H+]1CC[C@@]12CCOC2 ZINC001206665632 963830833 /nfs/dbraw/zinc/83/08/33/963830833.db2.gz HJMCFOBWPLYNIC-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccnn1C1CCC1 ZINC001158524011 963881460 /nfs/dbraw/zinc/88/14/60/963881460.db2.gz GWCBABHPSACTSZ-NSHDSACASA-N 1 2 248.330 1.641 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccnn1C1CCC1 ZINC001158524011 963881463 /nfs/dbraw/zinc/88/14/63/963881463.db2.gz GWCBABHPSACTSZ-NSHDSACASA-N 1 2 248.330 1.641 20 0 BDADLO C=CC(=O)NCCNc1cc(N)cc(Cl)[nH+]1 ZINC001158831224 963936155 /nfs/dbraw/zinc/93/61/55/963936155.db2.gz FAYIBHWDOPQPKM-UHFFFAOYSA-N 1 2 240.694 1.031 20 0 BDADLO COCCOC1CN(c2[nH+]ccc(F)c2C)C1 ZINC001158974816 963966120 /nfs/dbraw/zinc/96/61/20/963966120.db2.gz WZXLOVQYMIHUDZ-UHFFFAOYSA-N 1 2 240.278 1.381 20 0 BDADLO Nc1[nH+]ccc(F)c1NC[C@H]1C[C@H](F)C1 ZINC001168236600 964014878 /nfs/dbraw/zinc/01/48/78/964014878.db2.gz AMYAMKNSVCOJDN-LJGSYFOKSA-N 1 2 213.231 1.963 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001203162464 964065419 /nfs/dbraw/zinc/06/54/19/964065419.db2.gz XOARMGRCZFGGFD-NXEZZACHSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001203162464 964065429 /nfs/dbraw/zinc/06/54/29/964065429.db2.gz XOARMGRCZFGGFD-NXEZZACHSA-N 1 2 209.268 1.717 20 0 BDADLO CC(=O)N[C@H]1C[C@H](Nc2[nH+]ccc(F)c2C)C1 ZINC001159509179 964117509 /nfs/dbraw/zinc/11/75/09/964117509.db2.gz RIJDYBCHKDVHSW-MGCOHNPYSA-N 1 2 237.278 1.608 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)o1 ZINC001204389600 964339625 /nfs/dbraw/zinc/33/96/25/964339625.db2.gz SPLUIYCPTVYGTN-MNOVXSKESA-N 1 2 241.306 1.994 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)o1 ZINC001204389600 964339631 /nfs/dbraw/zinc/33/96/31/964339631.db2.gz SPLUIYCPTVYGTN-MNOVXSKESA-N 1 2 241.306 1.994 20 0 BDADLO O=C1N=CNC(=O)C1Nc1cccc2[nH+]c[nH]c21 ZINC001213029663 964520075 /nfs/dbraw/zinc/52/00/75/964520075.db2.gz QHENTEWDBOPDIH-UHFFFAOYSA-N 1 2 243.226 1.508 20 0 BDADLO CCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001161562498 964641458 /nfs/dbraw/zinc/64/14/58/964641458.db2.gz GDBKYPYZLFZLFW-UHFFFAOYSA-N 1 2 235.335 1.991 20 0 BDADLO c1cc2nc(NCCCn3cc[nH+]c3)ncc2[nH]1 ZINC001161681282 964681848 /nfs/dbraw/zinc/68/18/48/964681848.db2.gz OSEIHAUPJQWJOE-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO COc1ccc[nH+]c1NCCc1nncs1 ZINC001161728208 964717160 /nfs/dbraw/zinc/71/71/60/964717160.db2.gz NUDHXGKNDHHFAW-UHFFFAOYSA-N 1 2 236.300 1.596 20 0 BDADLO NC(=O)CNc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001161845617 964786997 /nfs/dbraw/zinc/78/69/97/964786997.db2.gz LDPYDQKVFDGMCF-UHFFFAOYSA-N 1 2 245.326 1.283 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1cc(C2CC2)ccn1 ZINC001161950883 964832761 /nfs/dbraw/zinc/83/27/61/964832761.db2.gz VRODKGIIRUMAET-LLVKDONJSA-N 1 2 249.314 1.261 20 0 BDADLO Cc1nc(NCc2ncon2)c2c([nH+]1)CCCC2 ZINC001162275857 964904580 /nfs/dbraw/zinc/90/45/80/964904580.db2.gz MYWLVSWNTMRAQK-UHFFFAOYSA-N 1 2 245.286 1.659 20 0 BDADLO Cc1cc[nH+]c(NC2=CC(=O)NCC2)c1 ZINC001162643353 965083352 /nfs/dbraw/zinc/08/33/52/965083352.db2.gz SLBLWBMRWIYMBU-UHFFFAOYSA-N 1 2 203.245 1.206 20 0 BDADLO COC1CC(CNc2[nH+]ccc(C)c2C(N)=O)C1 ZINC001162986343 965218052 /nfs/dbraw/zinc/21/80/52/965218052.db2.gz UAHORCBTKIEITQ-UHFFFAOYSA-N 1 2 249.314 1.326 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CNC(=O)C1(C)C ZINC001163009197 965225723 /nfs/dbraw/zinc/22/57/23/965225723.db2.gz SMUWGFQLKIPBDB-VIFPVBQESA-N 1 2 235.287 1.027 20 0 BDADLO CSc1cc[nH+]c(NC[C@H]2CNC(=O)O2)c1 ZINC001163022138 965234178 /nfs/dbraw/zinc/23/41/78/965234178.db2.gz FDIFLJJIWZOYFR-ZETCQYMHSA-N 1 2 239.300 1.324 20 0 BDADLO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)C(=O)OC(C)(C)C ZINC000696096157 965236003 /nfs/dbraw/zinc/23/60/03/965236003.db2.gz RJTUASRTMZLQMT-UWVGGRQHSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)C(=O)OC(C)(C)C ZINC000696096161 965236289 /nfs/dbraw/zinc/23/62/89/965236289.db2.gz RJTUASRTMZLQMT-ZJUUUORDSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3cc[nH]c3cn2)CCO1 ZINC001231664141 965277489 /nfs/dbraw/zinc/27/74/89/965277489.db2.gz UGJPMQAJXIFYAI-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3cc[nH]c3cn2)CCO1 ZINC001231664141 965277496 /nfs/dbraw/zinc/27/74/96/965277496.db2.gz UGJPMQAJXIFYAI-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001163176974 965282241 /nfs/dbraw/zinc/28/22/41/965282241.db2.gz HFHNHRDOCSFFLS-QWRGUYRKSA-N 1 2 233.315 1.743 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cncc(O)c1 ZINC001232042968 965299456 /nfs/dbraw/zinc/29/94/56/965299456.db2.gz BOMMSJPMALTDKA-ZDUSSCGKSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cncc(O)c1 ZINC001232042968 965299468 /nfs/dbraw/zinc/29/94/68/965299468.db2.gz BOMMSJPMALTDKA-ZDUSSCGKSA-N 1 2 236.315 1.644 20 0 BDADLO F[C@@H]1C[N@H+](Cc2ccns2)C[C@@H]2C[C@@H]21 ZINC001232188961 965311505 /nfs/dbraw/zinc/31/15/05/965311505.db2.gz QSQFWNLALTWEKK-UJNFCWOMSA-N 1 2 212.293 1.933 20 0 BDADLO F[C@@H]1C[N@@H+](Cc2ccns2)C[C@@H]2C[C@@H]21 ZINC001232188961 965311525 /nfs/dbraw/zinc/31/15/25/965311525.db2.gz QSQFWNLALTWEKK-UJNFCWOMSA-N 1 2 212.293 1.933 20 0 BDADLO Nc1[nH+]c(N2CCCC[C@H]2CO)ccc1Cl ZINC001163558682 965450314 /nfs/dbraw/zinc/45/03/14/965450314.db2.gz HASYEKFABQPYNV-QMMMGPOBSA-N 1 2 241.722 1.668 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)C[C@@H](C2CC2)O1 ZINC001120929583 965454376 /nfs/dbraw/zinc/45/43/76/965454376.db2.gz VWYUOTUPEGMPBG-WPRPVWTQSA-N 1 2 234.303 1.063 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCn2cnnc2C1 ZINC001163679275 965504081 /nfs/dbraw/zinc/50/40/81/965504081.db2.gz CHDVCKDSTLMFGD-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO COCc1cc[nH+]c(N2CC(COC)C2)c1 ZINC001163730538 965543741 /nfs/dbraw/zinc/54/37/41/965543741.db2.gz QYDFLTVKIVYFIN-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COc1c[nH+]c(N2CC=CC2)nc1NC(C)C ZINC001163915792 965623208 /nfs/dbraw/zinc/62/32/08/965623208.db2.gz OLQXMMOECHACQK-UHFFFAOYSA-N 1 2 234.303 1.682 20 0 BDADLO CCNC(=O)CN(C)c1cccc(C2CC2)[nH+]1 ZINC001163915735 965624680 /nfs/dbraw/zinc/62/46/80/965624680.db2.gz LIQYECVNHHDEGQ-UHFFFAOYSA-N 1 2 233.315 1.531 20 0 BDADLO Cc1c[nH+]c(N2CC=CC2)nc1NC(C)C ZINC001163915933 965625750 /nfs/dbraw/zinc/62/57/50/965625750.db2.gz XTHCFUIMPLEPGD-UHFFFAOYSA-N 1 2 218.304 1.982 20 0 BDADLO COc1cc(C)c[nH+]c1N(C)Cc1ncccn1 ZINC001163923301 965637306 /nfs/dbraw/zinc/63/73/06/965637306.db2.gz OMCPDWMOFIVFJR-UHFFFAOYSA-N 1 2 244.298 1.825 20 0 BDADLO Cc1nc(N2C[C@H](O)CC[C@H]2C)c2c([nH+]1)CCC2 ZINC001164121190 965742799 /nfs/dbraw/zinc/74/27/99/965742799.db2.gz KHQKPZNQMJTIIE-MWLCHTKSSA-N 1 2 247.342 1.623 20 0 BDADLO CC1(C)C[C@@H](CNc2ccn3cc(N)[nH+]c3c2)O1 ZINC001168453635 965755210 /nfs/dbraw/zinc/75/52/10/965755210.db2.gz ZDYVWGWXIPEXFR-JTQLQIEISA-N 1 2 246.314 1.896 20 0 BDADLO CC1(C)C[C@H](CNc2ccn3cc(N)[nH+]c3c2)O1 ZINC001168453639 965756951 /nfs/dbraw/zinc/75/69/51/965756951.db2.gz ZDYVWGWXIPEXFR-SNVBAGLBSA-N 1 2 246.314 1.896 20 0 BDADLO CN(C)c1cc(N2C[C@@H](F)[C@H](F)C2)nc[nH+]1 ZINC001164209941 965796246 /nfs/dbraw/zinc/79/62/46/965796246.db2.gz QBBCIMCGZMEJGW-HTQZYQBOSA-N 1 2 228.246 1.039 20 0 BDADLO CN(C)c1cc(N2C[C@@H](F)[C@H](F)C2)[nH+]cn1 ZINC001164209941 965796257 /nfs/dbraw/zinc/79/62/57/965796257.db2.gz QBBCIMCGZMEJGW-HTQZYQBOSA-N 1 2 228.246 1.039 20 0 BDADLO FC1(F)C[NH2+]CCN(c2cc(Cl)ncn2)C1 ZINC001164488290 965896515 /nfs/dbraw/zinc/89/65/15/965896515.db2.gz CNXJKFLJEJQDCH-UHFFFAOYSA-N 1 2 248.664 1.175 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001031181815 965927760 /nfs/dbraw/zinc/92/77/60/965927760.db2.gz SKFBQWDVUYYLTN-TZMCWYRMSA-N 1 2 238.375 1.879 20 0 BDADLO CNc1ccc(Nc2cc(OC)ncc2N)c[nH+]1 ZINC001203451829 965992647 /nfs/dbraw/zinc/99/26/47/965992647.db2.gz DQAVXTVSVMEARA-UHFFFAOYSA-N 1 2 245.286 1.853 20 0 BDADLO CC(C)C[C@H](O)CNc1cc[nH+]cc1F ZINC000699648609 966025187 /nfs/dbraw/zinc/02/51/87/966025187.db2.gz PMWJCNZIYSEFTR-VIFPVBQESA-N 1 2 212.268 1.462 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)nc[nH+]1 ZINC001165365995 966061216 /nfs/dbraw/zinc/06/12/16/966061216.db2.gz RHUPVLKTXSAXCL-LPEHRKFASA-N 1 2 236.294 1.337 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)[nH+]cn1 ZINC001165365995 966061231 /nfs/dbraw/zinc/06/12/31/966061231.db2.gz RHUPVLKTXSAXCL-LPEHRKFASA-N 1 2 236.294 1.337 20 0 BDADLO COC(C)(C)CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001165792431 966157360 /nfs/dbraw/zinc/15/73/60/966157360.db2.gz VMPAXSWCDGQRNH-UHFFFAOYSA-N 1 2 238.266 1.934 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CC=CCC1 ZINC001123929371 966311695 /nfs/dbraw/zinc/31/16/95/966311695.db2.gz ZXWLKTNWNITGAY-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO CN1CC[C@H](Nc2cc3cc[nH]c3c[nH+]2)C1=O ZINC001166637134 966341865 /nfs/dbraw/zinc/34/18/65/966341865.db2.gz QLIXZPLBTSTIMS-VIFPVBQESA-N 1 2 230.271 1.206 20 0 BDADLO CN(C)C(=O)CN(C)c1ccc(C(C)(C)C)c[nH+]1 ZINC001166661776 966352024 /nfs/dbraw/zinc/35/20/24/966352024.db2.gz RXVJTUUURFLHNN-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO COc1ccc(N[C@@H]2CCN(C)C2=O)[nH+]c1C ZINC001166696140 966371762 /nfs/dbraw/zinc/37/17/62/966371762.db2.gz ZOFVRRZNRYTHHJ-SECBINFHSA-N 1 2 235.287 1.041 20 0 BDADLO Cc1nc(N(C)CC2(C)COC2)c2c([nH+]1)CCC2 ZINC001166711313 966376934 /nfs/dbraw/zinc/37/69/34/966376934.db2.gz YBOSQXHCUPAPOB-UHFFFAOYSA-N 1 2 247.342 1.746 20 0 BDADLO CC(C)c1ccc(N2CCC[C@@H](C(N)=O)C2)[nH+]c1 ZINC001166933550 966448367 /nfs/dbraw/zinc/44/83/67/966448367.db2.gz YNTGABJKRLHSSA-GFCCVEGCSA-N 1 2 247.342 1.907 20 0 BDADLO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353383359 966459494 /nfs/dbraw/zinc/45/94/94/966459494.db2.gz FHORVSUGERXYIU-CMPLNLGQSA-N 1 2 245.330 1.662 20 0 BDADLO CC(C)OC1C[NH+](Cc2cccc3nonc32)C1 ZINC001203140076 966521933 /nfs/dbraw/zinc/52/19/33/966521933.db2.gz LNZLQBQVOYHTTL-UHFFFAOYSA-N 1 2 247.298 1.832 20 0 BDADLO COc1ccc(C)[nH+]c1N(C)CC(OC)OC ZINC001167028493 966524225 /nfs/dbraw/zinc/52/42/25/966524225.db2.gz HZZCRPWLJMDQDU-UHFFFAOYSA-N 1 2 240.303 1.454 20 0 BDADLO COC(CN(C)c1ccc(Cl)c(N)[nH+]1)OC ZINC001167029668 966526413 /nfs/dbraw/zinc/52/64/13/966526413.db2.gz RXOYEGCYCABLHJ-UHFFFAOYSA-N 1 2 245.710 1.372 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCN(C)C(=O)[C@H]1C ZINC001167035297 966527656 /nfs/dbraw/zinc/52/76/56/966527656.db2.gz AXKGRIJWGPBEAN-SECBINFHSA-N 1 2 237.278 1.196 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCN(C)C(=O)[C@@H]1C ZINC001167035793 966531748 /nfs/dbraw/zinc/53/17/48/966531748.db2.gz IBSAYCPHOBKWFV-JTQLQIEISA-N 1 2 249.314 1.066 20 0 BDADLO C[C@H]1C(=O)N(C)CCN1c1cccc(C2CC2)[nH+]1 ZINC001167041386 966532115 /nfs/dbraw/zinc/53/21/15/966532115.db2.gz UTCILPFFBHOXFG-JTQLQIEISA-N 1 2 245.326 1.626 20 0 BDADLO NC(=O)c1csc(C[NH2+]Cc2ccccc2)n1 ZINC001203167919 966539903 /nfs/dbraw/zinc/53/99/03/966539903.db2.gz CVBARSHKFWZGFS-UHFFFAOYSA-N 1 2 247.323 1.532 20 0 BDADLO Clc1ccc2c(n1)CC[N@@H+](Cc1cn[nH]n1)C2 ZINC001203206694 966552727 /nfs/dbraw/zinc/55/27/27/966552727.db2.gz WEKSRDHYWBQETQ-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1ccc2c(n1)CC[N@H+](Cc1cn[nH]n1)C2 ZINC001203206694 966552732 /nfs/dbraw/zinc/55/27/32/966552732.db2.gz WEKSRDHYWBQETQ-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1ccno1 ZINC001203267065 966588499 /nfs/dbraw/zinc/58/84/99/966588499.db2.gz DWEWBAPNQUKJCK-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1ccno1 ZINC001203267065 966588504 /nfs/dbraw/zinc/58/85/04/966588504.db2.gz DWEWBAPNQUKJCK-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO COc1ccccc1C[NH+]1CC(N(C)C(C)=O)C1 ZINC001203434390 966642228 /nfs/dbraw/zinc/64/22/28/966642228.db2.gz KDHXQWHHTJEUAQ-UHFFFAOYSA-N 1 2 248.326 1.358 20 0 BDADLO CNc1ccc(Nc2nnc(C)o2)c[nH+]1 ZINC001203446944 966650786 /nfs/dbraw/zinc/65/07/86/966650786.db2.gz HLFCVPYZHAVGNO-UHFFFAOYSA-N 1 2 205.221 1.558 20 0 BDADLO C[C@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)CC1 ZINC001237605399 966677228 /nfs/dbraw/zinc/67/72/28/966677228.db2.gz VVEYGKAZXBCRJS-MGCOHNPYSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)CC1 ZINC001237605399 966677234 /nfs/dbraw/zinc/67/72/34/966677234.db2.gz VVEYGKAZXBCRJS-MGCOHNPYSA-N 1 2 208.309 1.815 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2ccnc(C(N)=O)c2)c1 ZINC001203658066 966727167 /nfs/dbraw/zinc/72/71/67/966727167.db2.gz VTHOWQBKHJYYKH-UHFFFAOYSA-N 1 2 242.282 1.358 20 0 BDADLO CCCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737175 966779080 /nfs/dbraw/zinc/77/90/80/966779080.db2.gz LRDNSGPSTKIUCX-ZETCQYMHSA-N 1 2 244.232 1.393 20 0 BDADLO CCCC[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737175 966779102 /nfs/dbraw/zinc/77/91/02/966779102.db2.gz LRDNSGPSTKIUCX-ZETCQYMHSA-N 1 2 244.232 1.393 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(O)c2)C[C@@H]1C ZINC001203863614 966802016 /nfs/dbraw/zinc/80/20/16/966802016.db2.gz IBMCWDBFNZBAOG-NSHDSACASA-N 1 2 248.326 1.445 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(O)c2)C[C@@H]1C ZINC001203863614 966802018 /nfs/dbraw/zinc/80/20/18/966802018.db2.gz IBMCWDBFNZBAOG-NSHDSACASA-N 1 2 248.326 1.445 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccnc1 ZINC001204072546 966880519 /nfs/dbraw/zinc/88/05/19/966880519.db2.gz LRUNKMQEAUJYGB-MJBXVCDLSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccnc1 ZINC001204072546 966880526 /nfs/dbraw/zinc/88/05/26/966880526.db2.gz LRUNKMQEAUJYGB-MJBXVCDLSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccncc2)C1 ZINC001204079981 966885107 /nfs/dbraw/zinc/88/51/07/966885107.db2.gz BVWMEIVKJQFJEA-NEPJUHHUSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccncc2)C1 ZINC001204079981 966885114 /nfs/dbraw/zinc/88/51/14/966885114.db2.gz BVWMEIVKJQFJEA-NEPJUHHUSA-N 1 2 224.279 1.234 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3ccncc3)C2)C1 ZINC001204080405 966885453 /nfs/dbraw/zinc/88/54/53/966885453.db2.gz LTJBLCZVWBRUKW-LBPRGKRZSA-N 1 2 235.306 1.310 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3ccncc3)C2)C1 ZINC001204080405 966885458 /nfs/dbraw/zinc/88/54/58/966885458.db2.gz LTJBLCZVWBRUKW-LBPRGKRZSA-N 1 2 235.306 1.310 20 0 BDADLO c1nnc(C[NH2+]Cc2cccc3c2CCOC3)[nH]1 ZINC001204137626 966898303 /nfs/dbraw/zinc/89/83/03/966898303.db2.gz YSBVDNWRAVCNCV-UHFFFAOYSA-N 1 2 244.298 1.167 20 0 BDADLO COCC1CCC([NH2+]Cc2ncn[nH]2)CC1 ZINC001204135384 966899222 /nfs/dbraw/zinc/89/92/22/966899222.db2.gz FIGDMASNVQVTQY-UHFFFAOYSA-N 1 2 224.308 1.100 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)C2COC2)cc1 ZINC001204147656 966904384 /nfs/dbraw/zinc/90/43/84/966904384.db2.gz PKHFQQPRWWDRJK-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)C2COC2)cc1 ZINC001204147656 966904394 /nfs/dbraw/zinc/90/43/94/966904394.db2.gz PKHFQQPRWWDRJK-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO Cn1cc(C[N@@H+]2CCNC(=O)C2)c2ccccc21 ZINC001204313656 966970612 /nfs/dbraw/zinc/97/06/12/966970612.db2.gz JJTZOPFVLFDSFD-UHFFFAOYSA-N 1 2 243.310 1.110 20 0 BDADLO Cn1cc(C[N@H+]2CCNC(=O)C2)c2ccccc21 ZINC001204313656 966970621 /nfs/dbraw/zinc/97/06/21/966970621.db2.gz JJTZOPFVLFDSFD-UHFFFAOYSA-N 1 2 243.310 1.110 20 0 BDADLO Cc1csc(C[N@@H+]2CCOC[C@@](C)(O)C2)n1 ZINC001204374766 966980176 /nfs/dbraw/zinc/98/01/76/966980176.db2.gz QZAPOZIFQHZKBL-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1ccc(C[NH+]2CCN(C#N)CC2)cc1C ZINC001204356874 966981651 /nfs/dbraw/zinc/98/16/51/966981651.db2.gz JLFKQCYWILNHAQ-UHFFFAOYSA-N 1 2 229.327 1.902 20 0 BDADLO CN(Cc1cncs1)Cc1c[nH+]cn1C ZINC001204385627 966986244 /nfs/dbraw/zinc/98/62/44/966986244.db2.gz KKVMCNQDEVGUMY-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CSc1cc(N)n(-c2ccc[nH+]c2N)n1 ZINC001212395508 967024385 /nfs/dbraw/zinc/02/43/85/967024385.db2.gz QPRNGLQYOQSFDS-UHFFFAOYSA-N 1 2 221.289 1.154 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2C)n(C)n1 ZINC001204570503 967056994 /nfs/dbraw/zinc/05/69/94/967056994.db2.gz MGBDBCACXDSGAX-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2C)n(C)n1 ZINC001204570503 967057003 /nfs/dbraw/zinc/05/70/03/967057003.db2.gz MGBDBCACXDSGAX-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1[nH+]c[nH]c1CN(C)Cc1ncccn1 ZINC001204589262 967079104 /nfs/dbraw/zinc/07/91/04/967079104.db2.gz ZHUBWQZETJGICE-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1[nH]c[nH+]c1C ZINC001204603664 967097248 /nfs/dbraw/zinc/09/72/48/967097248.db2.gz UXQPDLIQKCXILN-JFGNBEQYSA-N 1 2 249.314 1.244 20 0 BDADLO CC[C@@H](C)c1cnn(CC[NH+]2CCOCC2)c1 ZINC001249861504 967100830 /nfs/dbraw/zinc/10/08/30/967100830.db2.gz RJCINZWNUNDZCB-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC001204782878 967163830 /nfs/dbraw/zinc/16/38/30/967163830.db2.gz LJRCRJFCCVZNJH-CYBMUJFWSA-N 1 2 234.299 1.308 20 0 BDADLO C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC001204782878 967163836 /nfs/dbraw/zinc/16/38/36/967163836.db2.gz LJRCRJFCCVZNJH-CYBMUJFWSA-N 1 2 234.299 1.308 20 0 BDADLO COc1cc(CO)ccc1-c1ccc[nH+]c1N ZINC001204788974 967170725 /nfs/dbraw/zinc/17/07/25/967170725.db2.gz XPNLJGCXLUINBM-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO Cc1cnn(-c2ccn3cc[nH+]c3c2)c1N ZINC001204951182 967252673 /nfs/dbraw/zinc/25/26/73/967252673.db2.gz OOYSLRBDJFTLIW-UHFFFAOYSA-N 1 2 213.244 1.411 20 0 BDADLO CNc1ccc(Nc2cc(C)nn2C)c[nH+]1 ZINC001203447102 967266209 /nfs/dbraw/zinc/26/62/09/967266209.db2.gz JMXUFSCUILXBSW-UHFFFAOYSA-N 1 2 217.276 1.909 20 0 BDADLO CCN(CC)C(=O)Cc1ccc(N)[nH+]c1 ZINC001250010840 967269597 /nfs/dbraw/zinc/26/95/97/967269597.db2.gz JCYJUWJCVKQQLR-UHFFFAOYSA-N 1 2 207.277 1.075 20 0 BDADLO CN(C)c1ncc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001205031417 967298876 /nfs/dbraw/zinc/29/88/76/967298876.db2.gz ULFXLTANPJHLLT-UHFFFAOYSA-N 1 2 241.298 1.573 20 0 BDADLO Nc1[nH+]cccc1-c1csc(CO)c1 ZINC001205290048 967481318 /nfs/dbraw/zinc/48/13/18/967481318.db2.gz AJGFFXFFRVQAMN-UHFFFAOYSA-N 1 2 206.270 1.885 20 0 BDADLO COc1ncc(C)cc1CC[NH+]1CCOCC1 ZINC001250275012 967598386 /nfs/dbraw/zinc/59/83/86/967598386.db2.gz BKXDQSQVUNOMLQ-UHFFFAOYSA-N 1 2 236.315 1.273 20 0 BDADLO COc1cc(CC[NH+]2CCOCC2)ccc1F ZINC001250275319 967605241 /nfs/dbraw/zinc/60/52/41/967605241.db2.gz GKFVPHKAYXZXMQ-UHFFFAOYSA-N 1 2 239.290 1.709 20 0 BDADLO c1cn(CCc2cnn3cccnc23)c[nH+]1 ZINC001250316144 967680995 /nfs/dbraw/zinc/68/09/95/967680995.db2.gz BUNCRTLOZSWQQT-UHFFFAOYSA-N 1 2 213.244 1.169 20 0 BDADLO c1cn(CCc2cnc(N3CCC3)nc2)c[nH+]1 ZINC001250318633 967686262 /nfs/dbraw/zinc/68/62/62/967686262.db2.gz HRCSMDNRCUAGNQ-UHFFFAOYSA-N 1 2 229.287 1.126 20 0 BDADLO CCOc1cncc(CCn2cc[nH+]c2)c1 ZINC001250318632 967691968 /nfs/dbraw/zinc/69/19/68/967691968.db2.gz HPUHTCITBFPLKF-UHFFFAOYSA-N 1 2 217.272 1.920 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc2n[nH]cc21 ZINC001205560921 967696698 /nfs/dbraw/zinc/69/66/98/967696698.db2.gz GGSVWSBMOFWADF-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc2n[nH]cc21 ZINC001205560921 967696701 /nfs/dbraw/zinc/69/67/01/967696701.db2.gz GGSVWSBMOFWADF-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO NC(=O)Cc1ccccc1CCn1cc[nH+]c1 ZINC001250320188 967697958 /nfs/dbraw/zinc/69/79/58/967697958.db2.gz IVYVZNZDXXNWEN-UHFFFAOYSA-N 1 2 229.283 1.154 20 0 BDADLO CCn1cc(C[NH+]2CC(C(F)F)C2)cn1 ZINC001205563343 967698536 /nfs/dbraw/zinc/69/85/36/967698536.db2.gz NBLSKNGAMMTWAZ-UHFFFAOYSA-N 1 2 215.247 1.600 20 0 BDADLO C[N@H+](Cc1cnoc1)Cc1cccnc1 ZINC001205670131 967754292 /nfs/dbraw/zinc/75/42/92/967754292.db2.gz JJQMJVTYQJNBPB-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1cnoc1)Cc1cccnc1 ZINC001205670131 967754296 /nfs/dbraw/zinc/75/42/96/967754296.db2.gz JJQMJVTYQJNBPB-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](F)C1 ZINC001117789364 967778913 /nfs/dbraw/zinc/77/89/13/967778913.db2.gz KIHQDAGVHNEYSD-LLVKDONJSA-N 1 2 223.295 1.691 20 0 BDADLO CN(C)c1ncccc1C[N@H+]1CC[C@@H](F)C1 ZINC001117789364 967778925 /nfs/dbraw/zinc/77/89/25/967778925.db2.gz KIHQDAGVHNEYSD-LLVKDONJSA-N 1 2 223.295 1.691 20 0 BDADLO COCc1nc(Cc2c[nH+]c(C)cc2C)no1 ZINC001250371821 967783057 /nfs/dbraw/zinc/78/30/57/967783057.db2.gz XYXYZVXTFBNCBD-UHFFFAOYSA-N 1 2 233.271 1.819 20 0 BDADLO Cn1c[nH+]c2ccc(NCc3ncon3)cc21 ZINC001162282890 967784885 /nfs/dbraw/zinc/78/48/85/967784885.db2.gz YVLOMGAALQHTSR-UHFFFAOYSA-N 1 2 229.243 1.568 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnoc1)C2 ZINC001205724499 967804179 /nfs/dbraw/zinc/80/41/79/967804179.db2.gz RZWLBZHLHZFLER-QWRGUYRKSA-N 1 2 208.261 1.428 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnoc1)C2 ZINC001205724499 967804180 /nfs/dbraw/zinc/80/41/80/967804180.db2.gz RZWLBZHLHZFLER-QWRGUYRKSA-N 1 2 208.261 1.428 20 0 BDADLO Cc1cccnc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001205761600 967814374 /nfs/dbraw/zinc/81/43/74/967814374.db2.gz GZMDZBQKINZEGQ-UHFFFAOYSA-N 1 2 235.306 1.228 20 0 BDADLO Cc1ccc(CN2Cc3cncnc3C2)c(N)[nH+]1 ZINC001143195401 967820331 /nfs/dbraw/zinc/82/03/31/967820331.db2.gz ZPRUZNNYHNTBOT-UHFFFAOYSA-N 1 2 241.298 1.278 20 0 BDADLO CNc1cc(N[C@@H]2C[C@]2(C)OC)nc[nH+]1 ZINC000694413504 967821342 /nfs/dbraw/zinc/82/13/42/967821342.db2.gz YENYCLAXOALMKO-XCBNKYQSSA-N 1 2 208.265 1.108 20 0 BDADLO CNc1cc(N[C@@H]2C[C@]2(C)OC)[nH+]cn1 ZINC000694413504 967821343 /nfs/dbraw/zinc/82/13/43/967821343.db2.gz YENYCLAXOALMKO-XCBNKYQSSA-N 1 2 208.265 1.108 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1ncccc1C ZINC001205813824 967833162 /nfs/dbraw/zinc/83/31/62/967833162.db2.gz KHDJTGDKJJTUKL-GFCCVEGCSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1ncccc1C ZINC001205813824 967833165 /nfs/dbraw/zinc/83/31/65/967833165.db2.gz KHDJTGDKJJTUKL-GFCCVEGCSA-N 1 2 236.315 1.237 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2ccncc2C)CC1 ZINC001205828323 967841329 /nfs/dbraw/zinc/84/13/29/967841329.db2.gz VDAIOEFLJUSXFW-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1ncc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001205875653 967869031 /nfs/dbraw/zinc/86/90/31/967869031.db2.gz PGONTGUYPUOHLV-UHFFFAOYSA-N 1 2 212.256 1.815 20 0 BDADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1C/C(Cl)=C\Cl ZINC000698159531 968055655 /nfs/dbraw/zinc/05/56/55/968055655.db2.gz MSHVEZLRWMFEIJ-FWZCLXCUSA-N 1 2 240.130 1.123 20 0 BDADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1C/C(Cl)=C\Cl ZINC000698159531 968055664 /nfs/dbraw/zinc/05/56/64/968055664.db2.gz MSHVEZLRWMFEIJ-FWZCLXCUSA-N 1 2 240.130 1.123 20 0 BDADLO COc1cc2[nH]c(C[NH+](C)C)nc2cc1C ZINC001250565808 968081120 /nfs/dbraw/zinc/08/11/20/968081120.db2.gz UDLJUMAWOGSSAC-UHFFFAOYSA-N 1 2 219.288 1.942 20 0 BDADLO Cc1nc(N2CC[C@@H](CO)[C@H]2C)c(C)c(C)[nH+]1 ZINC001164055846 968163011 /nfs/dbraw/zinc/16/30/11/968163011.db2.gz AAVXVIDDBNUOLO-PWSUYJOCSA-N 1 2 235.331 1.609 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2cccnc2C1)C(F)(F)F ZINC001250975981 968233411 /nfs/dbraw/zinc/23/34/11/968233411.db2.gz IWFCGGSZLOHRSQ-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO O[C@@H](C[N@H+]1CCc2cccnc2C1)C(F)(F)F ZINC001250975981 968233419 /nfs/dbraw/zinc/23/34/19/968233419.db2.gz IWFCGGSZLOHRSQ-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2ccncc2C1)C(F)(F)F ZINC001250972638 968233652 /nfs/dbraw/zinc/23/36/52/968233652.db2.gz OBHPBUJEFNGMNH-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO O[C@@H](C[N@H+]1CCc2ccncc2C1)C(F)(F)F ZINC001250972638 968233660 /nfs/dbraw/zinc/23/36/60/968233660.db2.gz OBHPBUJEFNGMNH-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO C[C@H](C(=O)NC[C@@H](C)C1CC1)n1cc[nH+]c1 ZINC001251288663 968280096 /nfs/dbraw/zinc/28/00/96/968280096.db2.gz HMSMNKCBGFWYPX-NXEZZACHSA-N 1 2 221.304 1.606 20 0 BDADLO [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(S)cc2)C1 ZINC001206446334 968312661 /nfs/dbraw/zinc/31/26/61/968312661.db2.gz UEQOINYWUJTDNF-GHMZBOCLSA-N 1 2 240.347 1.846 20 0 BDADLO CN1CC[C@@H](Nc2ccc(C3CC3)c[nH+]2)C1=O ZINC001166685838 968376041 /nfs/dbraw/zinc/37/60/41/968376041.db2.gz JKLDQWJRJVEHEW-LLVKDONJSA-N 1 2 231.299 1.602 20 0 BDADLO C[C@H](O)C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001251961391 968396287 /nfs/dbraw/zinc/39/62/87/968396287.db2.gz LPKPQOISNAVKRK-QMMMGPOBSA-N 1 2 226.707 1.474 20 0 BDADLO C[C@H](O)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001251961391 968396297 /nfs/dbraw/zinc/39/62/97/968396297.db2.gz LPKPQOISNAVKRK-QMMMGPOBSA-N 1 2 226.707 1.474 20 0 BDADLO CCN(c1[nH+]c(C)ccc1OC)C1COC1 ZINC001166941918 968396279 /nfs/dbraw/zinc/39/62/79/968396279.db2.gz CNKVOQXGMFOACB-UHFFFAOYSA-N 1 2 222.288 1.624 20 0 BDADLO N[C@H]1C[N@H+](Cc2ccsc2)CCC1(F)F ZINC001206658370 968426493 /nfs/dbraw/zinc/42/64/93/968426493.db2.gz WOKKOJPOPRIONB-VIFPVBQESA-N 1 2 232.299 1.916 20 0 BDADLO N[C@H]1C[N@@H+](Cc2ccsc2)CCC1(F)F ZINC001206658370 968426500 /nfs/dbraw/zinc/42/65/00/968426500.db2.gz WOKKOJPOPRIONB-VIFPVBQESA-N 1 2 232.299 1.916 20 0 BDADLO Cc1ccnc(-c2noc([C@@]3([NH3+])CCOC3)n2)c1 ZINC000085852559 968508666 /nfs/dbraw/zinc/50/86/66/968508666.db2.gz RRABMBBXKZAZHP-GFCCVEGCSA-N 1 2 246.270 1.014 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](CCCC(F)(F)F)CCO1 ZINC001120043573 968512652 /nfs/dbraw/zinc/51/26/52/968512652.db2.gz MGYBCAGYLPOFHM-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](CCCC(F)(F)F)CCO1 ZINC001120043573 968512659 /nfs/dbraw/zinc/51/26/59/968512659.db2.gz MGYBCAGYLPOFHM-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO OCC1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164429279 968516770 /nfs/dbraw/zinc/51/67/70/968516770.db2.gz WXUJCEHSZVBHSP-UHFFFAOYSA-N 1 2 229.682 1.903 20 0 BDADLO COc1cncc(C[N@@H+]2CCC[C@H]2C(C)=O)c1 ZINC001207001179 968536328 /nfs/dbraw/zinc/53/63/28/968536328.db2.gz ZVQYUYBPQJLMAE-ZDUSSCGKSA-N 1 2 234.299 1.644 20 0 BDADLO COc1cncc(C[N@H+]2CCC[C@H]2C(C)=O)c1 ZINC001207001179 968536335 /nfs/dbraw/zinc/53/63/35/968536335.db2.gz ZVQYUYBPQJLMAE-ZDUSSCGKSA-N 1 2 234.299 1.644 20 0 BDADLO CCOCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000823322472 968543551 /nfs/dbraw/zinc/54/35/51/968543551.db2.gz YNMYQPFLDBWEBL-JTQLQIEISA-N 1 2 224.308 1.368 20 0 BDADLO CCOCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000823322472 968543546 /nfs/dbraw/zinc/54/35/46/968543546.db2.gz YNMYQPFLDBWEBL-JTQLQIEISA-N 1 2 224.308 1.368 20 0 BDADLO c1cnc(C[NH+]2CC3(C2)CCOCC3)nc1 ZINC001207011622 968550741 /nfs/dbraw/zinc/55/07/41/968550741.db2.gz FGGSSCQZOUCTCQ-UHFFFAOYSA-N 1 2 219.288 1.089 20 0 BDADLO CC(C)O[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001207015608 968554942 /nfs/dbraw/zinc/55/49/42/968554942.db2.gz DJIGOUODAKOAHY-NSHDSACASA-N 1 2 221.304 1.476 20 0 BDADLO CC(C)O[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001207015608 968554948 /nfs/dbraw/zinc/55/49/48/968554948.db2.gz DJIGOUODAKOAHY-NSHDSACASA-N 1 2 221.304 1.476 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ncccc1F ZINC001207037197 968567653 /nfs/dbraw/zinc/56/76/53/968567653.db2.gz RRQLDBDDRARXLY-VIFPVBQESA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ncccc1F ZINC001207037197 968567659 /nfs/dbraw/zinc/56/76/59/968567659.db2.gz RRQLDBDDRARXLY-VIFPVBQESA-N 1 2 210.252 1.441 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207065680 968597470 /nfs/dbraw/zinc/59/74/70/968597470.db2.gz UQWOIGLWBLUNTJ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207065680 968597475 /nfs/dbraw/zinc/59/74/75/968597475.db2.gz UQWOIGLWBLUNTJ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO O=c1cccc(C[N@@H+]2CCCC23COC3)[nH]1 ZINC001207070892 968599884 /nfs/dbraw/zinc/59/98/84/968599884.db2.gz JNVXYAQAXVYWGE-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO O=c1cccc(C[N@H+]2CCCC23COC3)[nH]1 ZINC001207070892 968599891 /nfs/dbraw/zinc/59/98/91/968599891.db2.gz JNVXYAQAXVYWGE-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO CCc1nccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001207083479 968614738 /nfs/dbraw/zinc/61/47/38/968614738.db2.gz ADFBZTOKGDEBAE-ZJUUUORDSA-N 1 2 223.295 1.971 20 0 BDADLO CCc1nccc(C[N@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001207083479 968614742 /nfs/dbraw/zinc/61/47/42/968614742.db2.gz ADFBZTOKGDEBAE-ZJUUUORDSA-N 1 2 223.295 1.971 20 0 BDADLO CCc1nccc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC001207084908 968616856 /nfs/dbraw/zinc/61/68/56/968616856.db2.gz UZGHKHIRQRBVDV-SECBINFHSA-N 1 2 209.268 1.583 20 0 BDADLO CCc1nccc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC001207084908 968616861 /nfs/dbraw/zinc/61/68/61/968616861.db2.gz UZGHKHIRQRBVDV-SECBINFHSA-N 1 2 209.268 1.583 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)co1 ZINC000825307196 968641906 /nfs/dbraw/zinc/64/19/06/968641906.db2.gz BQSMYIXNPLSOCO-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO Oc1ccc(F)cc1-c1ncc2c(n1)C[NH2+]C2 ZINC001240693553 968644564 /nfs/dbraw/zinc/64/45/64/968644564.db2.gz UZHYXUXJHOKRQM-UHFFFAOYSA-N 1 2 231.230 1.592 20 0 BDADLO CCN(Cc1c(C)noc1C)C1C[NH+](C)C1 ZINC001207139281 968653089 /nfs/dbraw/zinc/65/30/89/968653089.db2.gz SZLIZZWKBKKNDN-UHFFFAOYSA-N 1 2 223.320 1.427 20 0 BDADLO CC[N@H+](Cc1c(C)noc1C)C1CN(C)C1 ZINC001207139281 968653097 /nfs/dbraw/zinc/65/30/97/968653097.db2.gz SZLIZZWKBKKNDN-UHFFFAOYSA-N 1 2 223.320 1.427 20 0 BDADLO CC[N@@H+](Cc1c(C)noc1C)C1CN(C)C1 ZINC001207139281 968653105 /nfs/dbraw/zinc/65/31/05/968653105.db2.gz SZLIZZWKBKKNDN-UHFFFAOYSA-N 1 2 223.320 1.427 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)c1cc[nH]c1 ZINC001085612386 968819062 /nfs/dbraw/zinc/81/90/62/968819062.db2.gz QOJQBWMARUNZAN-LLVKDONJSA-N 1 2 239.294 1.131 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)c1cc[nH]c1 ZINC001085612386 968819064 /nfs/dbraw/zinc/81/90/64/968819064.db2.gz QOJQBWMARUNZAN-LLVKDONJSA-N 1 2 239.294 1.131 20 0 BDADLO O[C@@H](CNc1cc[nH+]nc1)COCc1ccco1 ZINC001252631795 968888480 /nfs/dbraw/zinc/88/84/80/968888480.db2.gz YOICEOLQMVMSLL-NSHDSACASA-N 1 2 249.270 1.059 20 0 BDADLO Cc1nc(NC[C@H](C)NC(=O)C2CCC2)cc[nH+]1 ZINC001108227383 968892780 /nfs/dbraw/zinc/89/27/80/968892780.db2.gz QTRLEBDBUHWZDT-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO COC(=O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241161946 968940205 /nfs/dbraw/zinc/94/02/05/968940205.db2.gz BSCHADYIRUYTFH-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO CCCCC[C@@H](O)CN1CC[NH+](C)CC1 ZINC001253520195 969197399 /nfs/dbraw/zinc/19/73/99/969197399.db2.gz UOEXCMZKMSTXCI-GFCCVEGCSA-N 1 2 214.353 1.175 20 0 BDADLO CCCCC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001253557657 969230840 /nfs/dbraw/zinc/23/08/40/969230840.db2.gz NIWGLGWHGRLHII-NEPJUHHUSA-N 1 2 245.363 1.859 20 0 BDADLO Cc1cc(NCCC(N)=O)[nH+]cc1C(F)(F)F ZINC001168953178 969291924 /nfs/dbraw/zinc/29/19/24/969291924.db2.gz XRWPISWUHXDLBC-UHFFFAOYSA-N 1 2 247.220 1.696 20 0 BDADLO CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001208953361 969311112 /nfs/dbraw/zinc/31/11/12/969311112.db2.gz DFZGXSUYMDBERK-SDDRHHMPSA-N 1 2 246.301 1.237 20 0 BDADLO CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001208953361 969311117 /nfs/dbraw/zinc/31/11/17/969311117.db2.gz DFZGXSUYMDBERK-SDDRHHMPSA-N 1 2 246.301 1.237 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253721736 969346374 /nfs/dbraw/zinc/34/63/74/969346374.db2.gz HKEMXINSRHTJMN-KOLCDFICSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253721736 969346379 /nfs/dbraw/zinc/34/63/79/969346379.db2.gz HKEMXINSRHTJMN-KOLCDFICSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)[C@H](O)C[NH+]1CC(F)(C2CC2)C1 ZINC001253753464 969369832 /nfs/dbraw/zinc/36/98/32/969369832.db2.gz UYRUVUHMXNJHNK-SNVBAGLBSA-N 1 2 201.285 1.437 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](O)C(C)C ZINC001253778211 969399758 /nfs/dbraw/zinc/39/97/58/969399758.db2.gz JAPMJZUYQKPLTK-NEPJUHHUSA-N 1 2 245.363 1.571 20 0 BDADLO C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1=CC=C[CH]1)C2 ZINC001169107170 969444866 /nfs/dbraw/zinc/44/48/66/969444866.db2.gz FOZWTDHDHHEXAS-XYYAHUGASA-N 1 2 203.309 1.859 20 0 BDADLO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1=CC=C[CH]1)C2 ZINC001169107170 969444872 /nfs/dbraw/zinc/44/48/72/969444872.db2.gz FOZWTDHDHHEXAS-XYYAHUGASA-N 1 2 203.309 1.859 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1noc(C)n1 ZINC001169113123 969453147 /nfs/dbraw/zinc/45/31/47/969453147.db2.gz RVLBPWJJUKANBN-IEBDPFPHSA-N 1 2 239.319 1.986 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1noc(C)n1 ZINC001169113133 969454487 /nfs/dbraw/zinc/45/44/87/969454487.db2.gz RVLBPWJJUKANBN-LSJOCFKGSA-N 1 2 239.319 1.986 20 0 BDADLO C[C@H]1CC(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)C[C@H](C)O1 ZINC001209403243 969469717 /nfs/dbraw/zinc/46/97/17/969469717.db2.gz NFRJWZRKHGZBRV-QSFUFRPTSA-N 1 2 239.315 1.190 20 0 BDADLO C[C@H]1CC(C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)C[C@H](C)O1 ZINC001209403243 969469719 /nfs/dbraw/zinc/46/97/19/969469719.db2.gz NFRJWZRKHGZBRV-QSFUFRPTSA-N 1 2 239.315 1.190 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)[nH]2)C[C@@H]1C ZINC001209579836 969561745 /nfs/dbraw/zinc/56/17/45/969561745.db2.gz XZNIKPCCXKZKRC-NSHDSACASA-N 1 2 235.331 1.376 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)[nH]2)C[C@@H]1C ZINC001209579836 969561749 /nfs/dbraw/zinc/56/17/49/969561749.db2.gz XZNIKPCCXKZKRC-NSHDSACASA-N 1 2 235.331 1.376 20 0 BDADLO COc1cc(C[N@H+](C)Cc2ccno2)ccn1 ZINC001209643191 969568749 /nfs/dbraw/zinc/56/87/49/969568749.db2.gz DCAGNSFHTPYHDB-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2ccno2)ccn1 ZINC001209643191 969568756 /nfs/dbraw/zinc/56/87/56/969568756.db2.gz DCAGNSFHTPYHDB-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCCOC1)C(C)C ZINC001254364706 969575773 /nfs/dbraw/zinc/57/57/73/969575773.db2.gz YEOKZVMADZMBKD-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCCOC1)C(C)C ZINC001254364705 969576529 /nfs/dbraw/zinc/57/65/29/969576529.db2.gz YEOKZVMADZMBKD-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO c1cnc(C[NH+]2CC3(CSC3)C2)cn1 ZINC001209787850 969620085 /nfs/dbraw/zinc/62/00/85/969620085.db2.gz ALQLITOMKKLZIK-UHFFFAOYSA-N 1 2 207.302 1.025 20 0 BDADLO Cc1cc(=N)n(-c2ccc3[nH]c[nH+]c3c2)cc1N ZINC001209847378 969660994 /nfs/dbraw/zinc/66/09/94/969660994.db2.gz DAEYNQJUYODZDR-UHFFFAOYSA-N 1 2 239.282 1.724 20 0 BDADLO c1coc(C[NH2+][C@H]2CC3CCN(CC3)C2)n1 ZINC001254832880 969796365 /nfs/dbraw/zinc/79/63/65/969796365.db2.gz SGFTXMYYEXPZQA-NSHDSACASA-N 1 2 221.304 1.249 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254921915 969822375 /nfs/dbraw/zinc/82/23/75/969822375.db2.gz IPCBQQGTRYZXIF-URLYPYJESA-N 1 2 239.315 1.285 20 0 BDADLO CO[C@@H](C)CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001169769719 969844030 /nfs/dbraw/zinc/84/40/30/969844030.db2.gz HGWCCBHPJHCNBG-LURJTMIESA-N 1 2 224.239 1.495 20 0 BDADLO Cc1[nH+]cc(Nc2cncc(C(N)=O)c2)cc1N ZINC001210287535 969854442 /nfs/dbraw/zinc/85/44/42/969854442.db2.gz WNCYDANAIKWBLN-UHFFFAOYSA-N 1 2 243.270 1.210 20 0 BDADLO Cc1c(Nc2c[nH+]c(C)c(N)c2)ncn1C ZINC001210288662 969858088 /nfs/dbraw/zinc/85/80/88/969858088.db2.gz MTVHRXVUYRHCNU-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1[nH+]cc(Nc2cc(N)c(O)cc2O)cc1N ZINC001210290630 969859456 /nfs/dbraw/zinc/85/94/56/969859456.db2.gz BKIZMESZDBILOD-UHFFFAOYSA-N 1 2 246.270 1.709 20 0 BDADLO CCc1nnc(-c2cccc3[nH+]ccn32)o1 ZINC001255072502 969871878 /nfs/dbraw/zinc/87/18/78/969871878.db2.gz AFXQQMNPHYABHK-UHFFFAOYSA-N 1 2 214.228 1.947 20 0 BDADLO Cn1ccc(Nc2cc[nH+]cc2C(F)(F)F)n1 ZINC001210347039 969873936 /nfs/dbraw/zinc/87/39/36/969873936.db2.gz AWZKRHFRNSCLDV-UHFFFAOYSA-N 1 2 242.204 1.999 20 0 BDADLO CCc1csc(CN2CC3(CC[N@@H+]3C)C2)n1 ZINC001276686635 969935400 /nfs/dbraw/zinc/93/54/00/969935400.db2.gz FZKQEXAYHWVPPE-UHFFFAOYSA-N 1 2 237.372 1.595 20 0 BDADLO CCc1csc(CN2CC3(CC[N@H+]3C)C2)n1 ZINC001276686635 969935409 /nfs/dbraw/zinc/93/54/09/969935409.db2.gz FZKQEXAYHWVPPE-UHFFFAOYSA-N 1 2 237.372 1.595 20 0 BDADLO Cc1noc(C2([NH2+][C@H]3CCSC3)CC2)n1 ZINC001255275231 970026814 /nfs/dbraw/zinc/02/68/14/970026814.db2.gz UCUKJTVHGKFXHS-QMMMGPOBSA-N 1 2 225.317 1.462 20 0 BDADLO CNc1ncccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000052720669 970055177 /nfs/dbraw/zinc/05/51/77/970055177.db2.gz DRHNZDLICKSYDW-GHMZBOCLSA-N 1 2 235.331 1.733 20 0 BDADLO CNc1ncccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000052720669 970055190 /nfs/dbraw/zinc/05/51/90/970055190.db2.gz DRHNZDLICKSYDW-GHMZBOCLSA-N 1 2 235.331 1.733 20 0 BDADLO CN1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001255472616 970203804 /nfs/dbraw/zinc/20/38/04/970203804.db2.gz YTTXUTMODHFGRU-SNVBAGLBSA-N 1 2 236.319 1.131 20 0 BDADLO COc1c[nH+]ccc1-n1c(N)c(F)ccc1=N ZINC001211260417 970206584 /nfs/dbraw/zinc/20/65/84/970206584.db2.gz OMASORZBSCTABP-UHFFFAOYSA-N 1 2 234.234 1.082 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2oc(=O)[nH]c(=O)c2c1 ZINC001243068144 970253332 /nfs/dbraw/zinc/25/33/32/970253332.db2.gz VWJDURKMJAJYGI-UHFFFAOYSA-N 1 2 243.222 1.294 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C(=O)OC(C)(C)C)C1 ZINC001170109099 970312570 /nfs/dbraw/zinc/31/25/70/970312570.db2.gz JDVVTAOEXVZNGF-MXWKQRLJSA-N 1 2 243.347 1.467 20 0 BDADLO COC[C@@H](C)[NH2+]C1(C(=O)OC)CCCCC1 ZINC001255554517 970328785 /nfs/dbraw/zinc/32/87/85/970328785.db2.gz NLVOUQKQFGOIIG-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]C2(C(=O)OC)CCC2)CCO1 ZINC001170163839 970518179 /nfs/dbraw/zinc/51/81/79/970518179.db2.gz BJVFJWMESMPWFX-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]C2(C(=O)OC)CC2)CCO1 ZINC001170164192 970518206 /nfs/dbraw/zinc/51/82/06/970518206.db2.gz DYEGSWMWTLXQSR-ZJUUUORDSA-N 1 2 227.304 1.239 20 0 BDADLO C[C@@H](Cc1ccccc1F)[NH+]1CCN(C#N)CC1 ZINC001255856540 970521363 /nfs/dbraw/zinc/52/13/63/970521363.db2.gz WETHPWLDUJYEIQ-LBPRGKRZSA-N 1 2 247.317 1.855 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC001170190166 970556726 /nfs/dbraw/zinc/55/67/26/970556726.db2.gz DGLZVVNRMBTWMW-GHMZBOCLSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1nnc(C[NH2+][C@@H]2CCCc3n[nH]cc32)s1 ZINC000401735600 970722447 /nfs/dbraw/zinc/72/24/47/970722447.db2.gz REOVLPVRGSAWCM-SECBINFHSA-N 1 2 249.343 1.737 20 0 BDADLO COC(=O)[C@@]1([NH2+][C@@H](C)CCC(C)C)CCOC1 ZINC001256361136 970761647 /nfs/dbraw/zinc/76/16/47/970761647.db2.gz NXADAEBBEGZKQA-WCQYABFASA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@]12CCOC2)n1cc[nH+]c1 ZINC001327350406 972555147 /nfs/dbraw/zinc/55/51/47/972555147.db2.gz CYJKZZFSWIOVME-AAEUAGOBSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H](OCc1c[nH+]cn1C)c1ncccn1 ZINC001222587315 972586933 /nfs/dbraw/zinc/58/69/33/972586933.db2.gz RKKOEJGUQZQNGG-SECBINFHSA-N 1 2 218.260 1.488 20 0 BDADLO CC1=C[C@@H](OCc2c[nH+]cn2C)CC(=O)O1 ZINC001222595219 972592617 /nfs/dbraw/zinc/59/26/17/972592617.db2.gz UBMSFJUSDXQEEF-SNVBAGLBSA-N 1 2 222.244 1.156 20 0 BDADLO COC1C[NH+](Cc2cccc(O)c2C)C1 ZINC001144106851 972603335 /nfs/dbraw/zinc/60/33/35/972603335.db2.gz AHQUHCLQHSQWTO-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO CC(C)[NH+]1CC(OCc2nc3ncccc3o2)C1 ZINC001222929716 972748888 /nfs/dbraw/zinc/74/88/88/972748888.db2.gz QEEKYROOGBEJEV-UHFFFAOYSA-N 1 2 247.298 1.832 20 0 BDADLO COc1ccccc1COC1C[NH+](C)C1 ZINC001222971022 972771229 /nfs/dbraw/zinc/77/12/29/972771229.db2.gz RBSCVMZAZBSKFB-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO COc1ccc(C[N@@H+]2CCCCC23COC3)nc1 ZINC001144428479 972814752 /nfs/dbraw/zinc/81/47/52/972814752.db2.gz OQNWHQUWVLCUMO-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@H+]2CCCCC23COC3)nc1 ZINC001144428479 972814754 /nfs/dbraw/zinc/81/47/54/972814754.db2.gz OQNWHQUWVLCUMO-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO c1cc(C[N@@H+]2CCc3nn[nH]c3C2)n(C2CC2)c1 ZINC001327951327 972826434 /nfs/dbraw/zinc/82/64/34/972826434.db2.gz DTGRZYQEVNZNPG-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO c1cc(C[N@H+]2CCc3nn[nH]c3C2)n(C2CC2)c1 ZINC001327951327 972826440 /nfs/dbraw/zinc/82/64/40/972826440.db2.gz DTGRZYQEVNZNPG-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO CC[NH+]1CC(OCc2occc2C(=O)OC)C1 ZINC001223066665 972833502 /nfs/dbraw/zinc/83/35/02/972833502.db2.gz XZVOZXBLFOVLHA-UHFFFAOYSA-N 1 2 239.271 1.287 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnc(OC)c(F)c1 ZINC001144478047 972839201 /nfs/dbraw/zinc/83/92/01/972839201.db2.gz AFEVFUJUPJMEIC-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnc(OC)c(F)c1 ZINC001144478047 972839209 /nfs/dbraw/zinc/83/92/09/972839209.db2.gz AFEVFUJUPJMEIC-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)cc(O)cc2F)C[C@@H]1O ZINC001144545044 972856212 /nfs/dbraw/zinc/85/62/12/972856212.db2.gz PRDRZBDESJNVIR-MADCSZMMSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)cc(O)cc2F)C[C@@H]1O ZINC001144545044 972856221 /nfs/dbraw/zinc/85/62/21/972856221.db2.gz PRDRZBDESJNVIR-MADCSZMMSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1Cc1[nH+]cn2ccccc12 ZINC001144611843 972889733 /nfs/dbraw/zinc/88/97/33/972889733.db2.gz UUDRSUKGEBIISU-GHMZBOCLSA-N 1 2 231.299 1.289 20 0 BDADLO OC[C@@H]1CCCCN1Cc1[nH+]cn2ccccc12 ZINC001144611647 972891475 /nfs/dbraw/zinc/89/14/75/972891475.db2.gz SQQQIUJSXXVBHB-LBPRGKRZSA-N 1 2 245.326 1.681 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ncn2ccccc12 ZINC001144630680 972897122 /nfs/dbraw/zinc/89/71/22/972897122.db2.gz PUMRAAQFIDQIRC-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ncn2ccccc12 ZINC001144630680 972897128 /nfs/dbraw/zinc/89/71/28/972897128.db2.gz PUMRAAQFIDQIRC-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO Oc1cc(F)c(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC001144647016 972912792 /nfs/dbraw/zinc/91/27/92/972912792.db2.gz VCQNLPGIDHQSJO-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1cc(F)c(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC001144647016 972912804 /nfs/dbraw/zinc/91/28/04/972912804.db2.gz VCQNLPGIDHQSJO-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO C[C@H](C(=O)N(C)Cc1ccco1)n1cc[nH+]c1 ZINC000045857879 972984005 /nfs/dbraw/zinc/98/40/05/972984005.db2.gz SQRDPHXEEUYBIO-SNVBAGLBSA-N 1 2 233.271 1.696 20 0 BDADLO CC[NH+]1CC(OCc2cnc(C)cn2)C1 ZINC001223364018 973030194 /nfs/dbraw/zinc/03/01/94/973030194.db2.gz RGIUQSYBOQLYTL-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cc(COC(=O)C[C@@H](C)O)cc(C)[nH+]1 ZINC001223421187 973056816 /nfs/dbraw/zinc/05/68/16/973056816.db2.gz OHMOZUWJHAJQPM-SNVBAGLBSA-N 1 2 223.272 1.513 20 0 BDADLO Cc1cc(COC2CS(=O)(=O)C2)cc(C)[nH+]1 ZINC001223426112 973067763 /nfs/dbraw/zinc/06/77/63/973067763.db2.gz YWNOVDWYTCEMRT-UHFFFAOYSA-N 1 2 241.312 1.012 20 0 BDADLO CNc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cn1 ZINC001328593553 973176039 /nfs/dbraw/zinc/17/60/39/973176039.db2.gz LLXXQDIYMZTXGK-VIFPVBQESA-N 1 2 245.286 1.520 20 0 BDADLO COC(=O)c1ccc([C@@H](C)OC2C[NH+](C)C2)cc1 ZINC001223746873 973248084 /nfs/dbraw/zinc/24/80/84/973248084.db2.gz DFZHEBMMMJGMDX-SNVBAGLBSA-N 1 2 249.310 1.865 20 0 BDADLO C[NH+]1CC(OCc2ccc3ocnc3c2)C1 ZINC001223815108 973297259 /nfs/dbraw/zinc/29/72/59/973297259.db2.gz XUXHGMGBGWLZGL-UHFFFAOYSA-N 1 2 218.256 1.658 20 0 BDADLO Cn1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC001147005831 973384364 /nfs/dbraw/zinc/38/43/64/973384364.db2.gz ZNFATMMQCZEIOF-UHFFFAOYSA-N 1 2 240.266 1.925 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC001329089933 973473144 /nfs/dbraw/zinc/47/31/44/973473144.db2.gz VOKFKBMVAZDQFD-RKDXNWHRSA-N 1 2 233.275 1.045 20 0 BDADLO C[NH+]1CC(OCc2noc3ncccc23)C1 ZINC001224178763 973473606 /nfs/dbraw/zinc/47/36/06/973473606.db2.gz MXXRLAWKQFHRBU-UHFFFAOYSA-N 1 2 219.244 1.053 20 0 BDADLO COc1cc(C)ccc1C(=O)NC1C[NH+](C)C1 ZINC001148577175 973869310 /nfs/dbraw/zinc/86/93/10/973869310.db2.gz KIZDPZNABSDQFO-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO O=C(Cc1ccccc1)N[C@H]1CCn2c[nH+]cc21 ZINC001329684672 973884634 /nfs/dbraw/zinc/88/46/34/973884634.db2.gz XHMFQHVDMOOHSO-LBPRGKRZSA-N 1 2 241.294 1.687 20 0 BDADLO CC(C)(C)c1cn(C[C@H]2COCCO2)c[nH+]1 ZINC001329723151 973897249 /nfs/dbraw/zinc/89/72/49/973897249.db2.gz LVZBQAZXDWDYJG-JTQLQIEISA-N 1 2 224.304 1.596 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3nonc3C)C2)c1 ZINC000585639855 973922096 /nfs/dbraw/zinc/92/20/96/973922096.db2.gz OGDWOYBPOWISMN-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nonc3C)C2)c1 ZINC000585639855 973922116 /nfs/dbraw/zinc/92/21/16/973922116.db2.gz OGDWOYBPOWISMN-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO N#Cc1ccc(CNc2cccc[nH+]2)nc1 ZINC000390796350 973942983 /nfs/dbraw/zinc/94/29/83/973942983.db2.gz RXEZHIRCBJTXFG-UHFFFAOYSA-N 1 2 210.240 1.960 20 0 BDADLO CC[C@H](C[C@@H](C)O)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001329892298 974008069 /nfs/dbraw/zinc/00/80/69/974008069.db2.gz QQTLFTCSKWDDNQ-OUAUKWLOSA-N 1 2 239.319 1.110 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171397306 974008059 /nfs/dbraw/zinc/00/80/59/974008059.db2.gz PSEDKNRYBQMBDP-GWCFXTLKSA-N 1 2 249.285 1.588 20 0 BDADLO C[C@H](C(=O)N1OC2CCC1CC2)n1cc[nH+]c1 ZINC001329893321 974012028 /nfs/dbraw/zinc/01/20/28/974012028.db2.gz ZPZVDAIIRRRUIU-KPPDAEKUSA-N 1 2 235.287 1.529 20 0 BDADLO Cc1nc(NCCNC(=O)C2=CCCC2)cc[nH+]1 ZINC001093546858 974029064 /nfs/dbraw/zinc/02/90/64/974029064.db2.gz QAPGBALNPGLFOU-UHFFFAOYSA-N 1 2 246.314 1.423 20 0 BDADLO Cc1nc(NCCNC(=O)C[C@H]2C[C@H]2C)cc[nH+]1 ZINC001094089447 974047730 /nfs/dbraw/zinc/04/77/30/974047730.db2.gz WDPPDDRUUSQENL-MWLCHTKSSA-N 1 2 248.330 1.359 20 0 BDADLO CC(=O)CC(C)(C)Nc1c(N)[nH+]ccc1F ZINC001171498260 974082245 /nfs/dbraw/zinc/08/22/45/974082245.db2.gz JQHORJCBNIJHDB-UHFFFAOYSA-N 1 2 225.267 1.973 20 0 BDADLO COC(C)(C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001330041071 974084751 /nfs/dbraw/zinc/08/47/51/974084751.db2.gz DFJKAYBCJZLMNI-SNVBAGLBSA-N 1 2 239.319 1.375 20 0 BDADLO Fc1cccc2c1C[C@@H]([N@@H+]1CCC13COC3)C2 ZINC001171804313 974191255 /nfs/dbraw/zinc/19/12/55/974191255.db2.gz CZLOITOBANALEJ-NSHDSACASA-N 1 2 233.286 1.768 20 0 BDADLO Fc1cccc2c1C[C@@H]([N@H+]1CCC13COC3)C2 ZINC001171804313 974191271 /nfs/dbraw/zinc/19/12/71/974191271.db2.gz CZLOITOBANALEJ-NSHDSACASA-N 1 2 233.286 1.768 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001330517889 974284653 /nfs/dbraw/zinc/28/46/53/974284653.db2.gz VICAERIACMCIMF-UHFFFAOYSA-N 1 2 247.342 1.487 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cncc(Cl)c2)C1 ZINC001225289352 974361538 /nfs/dbraw/zinc/36/15/38/974361538.db2.gz JBOYWUKDSASSLE-NSHDSACASA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cncc(Cl)c2)C1 ZINC001225289352 974361546 /nfs/dbraw/zinc/36/15/46/974361546.db2.gz JBOYWUKDSASSLE-NSHDSACASA-N 1 2 242.706 1.444 20 0 BDADLO CCN(C#N)CC[N@H+](C)CCC(F)(F)F ZINC001330658433 974392486 /nfs/dbraw/zinc/39/24/86/974392486.db2.gz RGSFYYFHQLZHGJ-UHFFFAOYSA-N 1 2 223.242 1.674 20 0 BDADLO CCN(C#N)CC[N@@H+](C)CCC(F)(F)F ZINC001330658433 974392495 /nfs/dbraw/zinc/39/24/95/974392495.db2.gz RGSFYYFHQLZHGJ-UHFFFAOYSA-N 1 2 223.242 1.674 20 0 BDADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC001330688699 974420022 /nfs/dbraw/zinc/42/00/22/974420022.db2.gz ZRNPNBXTSGDIGX-JTQLQIEISA-N 1 2 237.347 1.573 20 0 BDADLO OC1(C(F)(F)F)C[NH+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172240005 974503424 /nfs/dbraw/zinc/50/34/24/974503424.db2.gz JJMGBZLOJFQLCB-CBLAIPOGSA-N 1 2 249.232 1.081 20 0 BDADLO O[C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1(F)F ZINC001172241842 974505553 /nfs/dbraw/zinc/50/55/53/974505553.db2.gz LJMJKALSZYGGSD-HUAZRZQGSA-N 1 2 245.269 1.174 20 0 BDADLO O[C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1(F)F ZINC001172241842 974505557 /nfs/dbraw/zinc/50/55/57/974505557.db2.gz LJMJKALSZYGGSD-HUAZRZQGSA-N 1 2 245.269 1.174 20 0 BDADLO CCC(CC)([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC001172279539 974540833 /nfs/dbraw/zinc/54/08/33/974540833.db2.gz IIYMSFGYEHGBNI-JTQLQIEISA-N 1 2 243.347 1.875 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@H]1COC(C)(C)C1 ZINC001172296847 974567213 /nfs/dbraw/zinc/56/72/13/974567213.db2.gz ZZLOJLVPZAEDNA-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@H]1COC(C)(C)C1 ZINC001172296847 974567215 /nfs/dbraw/zinc/56/72/15/974567215.db2.gz ZZLOJLVPZAEDNA-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)[NH+]1CC(OC(C)=O)C1 ZINC001172340566 974607802 /nfs/dbraw/zinc/60/78/02/974607802.db2.gz KNQSWSQCQZMUJF-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H]1CC[C@@H]([NH+]2CC(F)(CO)C2)C[C@H]1C ZINC001172365003 974643914 /nfs/dbraw/zinc/64/39/14/974643914.db2.gz HTKVPLFFQWARDV-GMTAPVOTSA-N 1 2 215.312 1.827 20 0 BDADLO Cc1coc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1C ZINC001331224412 974652183 /nfs/dbraw/zinc/65/21/83/974652183.db2.gz HKDUWVUQTVVPCG-JTQLQIEISA-N 1 2 245.282 1.448 20 0 BDADLO C[C@@H](C(=O)NCC1CC(C)C1)n1cc[nH+]c1 ZINC001331414803 974710332 /nfs/dbraw/zinc/71/03/32/974710332.db2.gz BSDDSHWBVPYXLO-YVNMAJEFSA-N 1 2 221.304 1.606 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)CCOC(C)C ZINC001172438206 974793781 /nfs/dbraw/zinc/79/37/81/974793781.db2.gz MSGJGKXQXIPFDT-ZJUUUORDSA-N 1 2 217.309 1.341 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1cccc(F)n1 ZINC001226187257 974822133 /nfs/dbraw/zinc/82/21/33/974822133.db2.gz SPHNTOLVIDKNPJ-JTQLQIEISA-N 1 2 240.278 1.320 20 0 BDADLO OC1C[NH+](Cc2ccc(Nc3ncco3)cc2)C1 ZINC001212664454 974831582 /nfs/dbraw/zinc/83/15/82/974831582.db2.gz NZPSGJVMCNIPRO-UHFFFAOYSA-N 1 2 245.282 1.595 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3cc(F)ccc32)C1 ZINC001226387943 974875015 /nfs/dbraw/zinc/87/50/15/974875015.db2.gz JNOODGDMXTVPAR-UHFFFAOYSA-N 1 2 247.273 1.852 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611802 974887931 /nfs/dbraw/zinc/88/79/31/974887931.db2.gz QQWAUIFHMRQCEL-YTWAJWBKSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611802 974887935 /nfs/dbraw/zinc/88/79/35/974887935.db2.gz QQWAUIFHMRQCEL-YTWAJWBKSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611801 974888417 /nfs/dbraw/zinc/88/84/17/974888417.db2.gz QQWAUIFHMRQCEL-XWLWVQCSSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611801 974888419 /nfs/dbraw/zinc/88/84/19/974888419.db2.gz QQWAUIFHMRQCEL-XWLWVQCSSA-N 1 2 247.285 1.710 20 0 BDADLO CCOC(=O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172648900 974895378 /nfs/dbraw/zinc/89/53/78/974895378.db2.gz DDDMQIPOWWADQV-UHFFFAOYSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCC(=O)C2)CC1 ZINC001172793464 974944273 /nfs/dbraw/zinc/94/42/73/974944273.db2.gz YZHHSNGQFWJNMT-GHMZBOCLSA-N 1 2 239.315 1.383 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001332097929 974950531 /nfs/dbraw/zinc/95/05/31/974950531.db2.gz VCVIXNMSXOGIIU-UHFFFAOYSA-N 1 2 249.314 1.231 20 0 BDADLO Cc1c(F)cccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001226773956 975072871 /nfs/dbraw/zinc/07/28/71/975072871.db2.gz JHSQPHAWHXNKPA-NSHDSACASA-N 1 2 239.290 1.844 20 0 BDADLO Cc1c(F)cccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001226773956 975072880 /nfs/dbraw/zinc/07/28/80/975072880.db2.gz JHSQPHAWHXNKPA-NSHDSACASA-N 1 2 239.290 1.844 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ncco1 ZINC001332433294 975117227 /nfs/dbraw/zinc/11/72/27/975117227.db2.gz FGDRSTQKCGWTCW-RNFRBKRXSA-N 1 2 220.219 1.341 20 0 BDADLO CC(C)[NH+]1CC(Oc2cncc(F)c2)C1 ZINC001226843053 975117111 /nfs/dbraw/zinc/11/71/11/975117111.db2.gz FQDUCXHRKKOGSN-UHFFFAOYSA-N 1 2 210.252 1.692 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@H](CC)C1)[C@@H](C)O ZINC001173264385 975123705 /nfs/dbraw/zinc/12/37/05/975123705.db2.gz SDLJVTYTCVEXDR-NOOOWODRSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1[nH]c(=O)nc(OC2C[NH+](C(C)C)C2)c1C ZINC001226979506 975198631 /nfs/dbraw/zinc/19/86/31/975198631.db2.gz QTVLWEGGHLIRSI-UHFFFAOYSA-N 1 2 237.303 1.270 20 0 BDADLO CC[NH+]1CC(Oc2cccc3ccc[n+]([O-])c32)C1 ZINC001227002101 975216464 /nfs/dbraw/zinc/21/64/64/975216464.db2.gz LZVNRJWCDWDUSX-UHFFFAOYSA-N 1 2 244.294 1.556 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cc2cnccc2o1 ZINC001332596952 975226044 /nfs/dbraw/zinc/22/60/44/975226044.db2.gz RBDXOSDEBUTXRL-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO O=C(NC/C=C\C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001332851035 975295632 /nfs/dbraw/zinc/29/56/32/975295632.db2.gz UXFTWAJOZRKOJK-BVBSBALXSA-N 1 2 246.314 1.073 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(c2)CCC(=O)N3)C1 ZINC001227246070 975326453 /nfs/dbraw/zinc/32/64/53/975326453.db2.gz RAKIMCPGCOZFOF-UHFFFAOYSA-N 1 2 232.283 1.264 20 0 BDADLO Cc1cc(C)nc(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001227248086 975329307 /nfs/dbraw/zinc/32/93/07/975329307.db2.gz QPQMCAGYSNCIBR-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1cc(C)nc(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001227248086 975329315 /nfs/dbraw/zinc/32/93/15/975329315.db2.gz QPQMCAGYSNCIBR-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](OC)C1CC1)C1CC1 ZINC001332963185 975343572 /nfs/dbraw/zinc/34/35/72/975343572.db2.gz XHXBSXYWBDFNKY-VXGBXAGGSA-N 1 2 241.331 1.343 20 0 BDADLO CCn1c[nH+]cc1CN[C@H]1C[C@@H](C)n2ncnc21 ZINC001333308546 975640250 /nfs/dbraw/zinc/64/02/50/975640250.db2.gz WYQOCGGHPPSTIP-KOLCDFICSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1cc(=O)[nH]nc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001227800499 975702069 /nfs/dbraw/zinc/70/20/69/975702069.db2.gz DQEIJQIDOYVJCY-VIFPVBQESA-N 1 2 246.270 1.081 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1ccc[nH]1 ZINC001333597251 975878628 /nfs/dbraw/zinc/87/86/28/975878628.db2.gz NRTRNZOPRRPHAD-BDAKNGLRSA-N 1 2 235.287 1.907 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3ccccc32)C1 ZINC001228521870 976271898 /nfs/dbraw/zinc/27/18/98/976271898.db2.gz PMEKLIZNAVPCKZ-UHFFFAOYSA-N 1 2 217.272 1.646 20 0 BDADLO CC[NH+]1CC(Oc2ccc(F)nc2C)C1 ZINC001228552801 976312023 /nfs/dbraw/zinc/31/20/23/976312023.db2.gz TZGVUVMWAPITSE-UHFFFAOYSA-N 1 2 210.252 1.612 20 0 BDADLO Cc1cc(F)ncc1OC[C@H]1C[N@H+](C)CCO1 ZINC001228590995 976362431 /nfs/dbraw/zinc/36/24/31/976362431.db2.gz GTIZHMWWNAQPGU-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO Cc1cc(F)ncc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001228590995 976362439 /nfs/dbraw/zinc/36/24/39/976362439.db2.gz GTIZHMWWNAQPGU-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO Cn1c2ccccc2nc1OC1C[NH+](C)C1 ZINC001228660525 976416252 /nfs/dbraw/zinc/41/62/52/976416252.db2.gz SCOABMCRFZRNMT-UHFFFAOYSA-N 1 2 217.272 1.266 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2ccc3n[nH]nc3c2)C1 ZINC001228668054 976426762 /nfs/dbraw/zinc/42/67/62/976426762.db2.gz XDOJJRJFNPUZNF-UHFFFAOYSA-N 1 2 246.314 1.819 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2ccc3[nH]nnc3c2)C1 ZINC001228668054 976426771 /nfs/dbraw/zinc/42/67/71/976426771.db2.gz XDOJJRJFNPUZNF-UHFFFAOYSA-N 1 2 246.314 1.819 20 0 BDADLO COc1cc(C)c(OC2C[NH+](C(C)C)C2)cn1 ZINC001228677924 976430944 /nfs/dbraw/zinc/43/09/44/976430944.db2.gz VKXPZYQKJZFBNC-UHFFFAOYSA-N 1 2 236.315 1.870 20 0 BDADLO C[NH+](C)C1(c2nc(CCc3ccco3)no2)CC1 ZINC001334401869 976495446 /nfs/dbraw/zinc/49/54/46/976495446.db2.gz HSAWDTKTPDAVSA-UHFFFAOYSA-N 1 2 247.298 1.999 20 0 BDADLO CC[NH+]1CC(Oc2ccccc2N(C)C)C1 ZINC001228875212 976543038 /nfs/dbraw/zinc/54/30/38/976543038.db2.gz ORMZDWHEOFHZFB-UHFFFAOYSA-N 1 2 220.316 1.836 20 0 BDADLO C[NH+]1CC(Oc2cccc3cc[nH]c32)C1 ZINC001228891841 976559427 /nfs/dbraw/zinc/55/94/27/976559427.db2.gz QKGLBMNKTPCIGL-UHFFFAOYSA-N 1 2 202.257 1.861 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2coccc2=O)C1 ZINC001228996662 976628572 /nfs/dbraw/zinc/62/85/72/976628572.db2.gz CJSQEDSVBQHVAO-UHFFFAOYSA-N 1 2 223.272 1.501 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCn2cncc2C1 ZINC001334926012 976793239 /nfs/dbraw/zinc/79/32/39/976793239.db2.gz YMVASCRBNXNMRH-JTQLQIEISA-N 1 2 246.289 1.994 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCn2cncc2C1 ZINC001334926012 976793248 /nfs/dbraw/zinc/79/32/48/976793248.db2.gz YMVASCRBNXNMRH-JTQLQIEISA-N 1 2 246.289 1.994 20 0 BDADLO CC[NH+]1CC(Oc2cc3c[nH]nc3cn2)C1 ZINC001229238807 976802610 /nfs/dbraw/zinc/80/26/10/976802610.db2.gz HQZKAVNDYHUCSQ-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NC/C=C\C1CC1 ZINC001229247951 976805834 /nfs/dbraw/zinc/80/58/34/976805834.db2.gz DQUFIIVZCWBTQR-IWQZZHSRSA-N 1 2 246.314 1.429 20 0 BDADLO C[NH+]1CC(Oc2cc(=O)[nH]c3c2CCCC3)C1 ZINC001229500215 976879366 /nfs/dbraw/zinc/87/93/66/976879366.db2.gz BYJOASRTDJHEMN-UHFFFAOYSA-N 1 2 234.299 1.359 20 0 BDADLO CC[NH+]1CC(Oc2cccc3c2CCNC3=O)C1 ZINC001229519619 976891345 /nfs/dbraw/zinc/89/13/45/976891345.db2.gz HCKNMPKJJYEIAS-UHFFFAOYSA-N 1 2 246.310 1.055 20 0 BDADLO COc1ccc2[nH]c(OC3C[NH+](C)C3)nc2c1 ZINC001229728004 976971627 /nfs/dbraw/zinc/97/16/27/976971627.db2.gz WGVYGZIKOWYJJX-UHFFFAOYSA-N 1 2 233.271 1.264 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ncc(F)cc2F)C1 ZINC001229857898 977004456 /nfs/dbraw/zinc/00/44/56/977004456.db2.gz BLJGIHTZUPGDER-VIFPVBQESA-N 1 2 244.241 1.069 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ncc(F)cc2F)C1 ZINC001229857898 977004471 /nfs/dbraw/zinc/00/44/71/977004471.db2.gz BLJGIHTZUPGDER-VIFPVBQESA-N 1 2 244.241 1.069 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC1(C)CC1 ZINC001335398517 977028390 /nfs/dbraw/zinc/02/83/90/977028390.db2.gz PYJJRAKEULQXHE-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CC[C@@H](O)C(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229951788 977032783 /nfs/dbraw/zinc/03/27/83/977032783.db2.gz WECIRMJJOGBYBJ-GFCCVEGCSA-N 1 2 246.266 1.549 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncco2)CC1 ZINC000260116684 977258084 /nfs/dbraw/zinc/25/80/84/977258084.db2.gz QPWDLLVTTXFDBO-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncco2)CC1 ZINC000260116684 977258087 /nfs/dbraw/zinc/25/80/87/977258087.db2.gz QPWDLLVTTXFDBO-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CC1CCOCC1 ZINC001335750256 977258772 /nfs/dbraw/zinc/25/87/72/977258772.db2.gz YAHRVUFLHRRAMO-INIZCTEOSA-N 1 2 242.344 1.095 20 0 BDADLO CC(C)=CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230675651 977293808 /nfs/dbraw/zinc/29/38/08/977293808.db2.gz IXHNJQAWVDHSCC-NSHDSACASA-N 1 2 228.311 1.455 20 0 BDADLO CC(C)=CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230675651 977293817 /nfs/dbraw/zinc/29/38/17/977293817.db2.gz IXHNJQAWVDHSCC-NSHDSACASA-N 1 2 228.311 1.455 20 0 BDADLO COc1cc(O)cc(OC2C[NH+](C)C2)c1 ZINC001230708084 977305558 /nfs/dbraw/zinc/30/55/58/977305558.db2.gz UMORVZJYLOPGTA-UHFFFAOYSA-N 1 2 209.245 1.094 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000260246209 977347291 /nfs/dbraw/zinc/34/72/91/977347291.db2.gz WYPHZXGNNYYKBM-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000260246209 977347299 /nfs/dbraw/zinc/34/72/99/977347299.db2.gz WYPHZXGNNYYKBM-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO COC[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230918834 977379587 /nfs/dbraw/zinc/37/95/87/977379587.db2.gz AOPAYHFWQLZQRU-VIFPVBQESA-N 1 2 235.283 1.781 20 0 BDADLO C[C@H](CON)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921714 977382890 /nfs/dbraw/zinc/38/28/90/977382890.db2.gz QKTDEYOXNXNFTH-MRVPVSSYSA-N 1 2 236.271 1.025 20 0 BDADLO Oc1cc2c(cc1OC[C@@H]1COCO1)CC[NH+]=C2 ZINC001230920948 977385399 /nfs/dbraw/zinc/38/53/99/977385399.db2.gz ZKGUSPCRSFTQPW-NSHDSACASA-N 1 2 249.266 1.119 20 0 BDADLO CCC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001230968801 977402459 /nfs/dbraw/zinc/40/24/59/977402459.db2.gz FQLVZDLAHDCNHG-UHFFFAOYSA-N 1 2 225.292 1.023 20 0 BDADLO CCC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001230968801 977402469 /nfs/dbraw/zinc/40/24/69/977402469.db2.gz FQLVZDLAHDCNHG-UHFFFAOYSA-N 1 2 225.292 1.023 20 0 BDADLO Cc1[nH+]cn(-c2ccc3n[nH]cc3c2C)c1N ZINC001175465360 977432279 /nfs/dbraw/zinc/43/22/79/977432279.db2.gz RLVLPGYXYGPGAX-UHFFFAOYSA-N 1 2 227.271 1.948 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001336023988 977434729 /nfs/dbraw/zinc/43/47/29/977434729.db2.gz HEBRVOOTIFRYHH-HOSYDEDBSA-N 1 2 249.314 1.259 20 0 BDADLO CSC[C@H](O)C[NH2+][C@H](c1ncon1)C(C)C ZINC001336035714 977439156 /nfs/dbraw/zinc/43/91/56/977439156.db2.gz NEQUDCFJGJOOPP-BDAKNGLRSA-N 1 2 245.348 1.080 20 0 BDADLO C[N@@H+]1CC[C@H](C(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC001336070901 977476062 /nfs/dbraw/zinc/47/60/62/977476062.db2.gz AZCIVCZVMXYWDR-XXFAHNHDSA-N 1 2 246.376 1.361 20 0 BDADLO C[N@H+]1CC[C@H](C(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC001336070901 977476080 /nfs/dbraw/zinc/47/60/80/977476080.db2.gz AZCIVCZVMXYWDR-XXFAHNHDSA-N 1 2 246.376 1.361 20 0 BDADLO C[N@@H+]1CCCC(=Nc2cncc(Cl)n2)C1 ZINC001175574402 977571336 /nfs/dbraw/zinc/57/13/36/977571336.db2.gz VCAKTHVCIALPJA-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCCC(=Nc2cncc(Cl)n2)C1 ZINC001175574402 977571350 /nfs/dbraw/zinc/57/13/50/977571350.db2.gz VCAKTHVCIALPJA-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1(C)CC1 ZINC001336218869 977578795 /nfs/dbraw/zinc/57/87/95/977578795.db2.gz WPXLLDXCGDQYFU-SECBINFHSA-N 1 2 221.304 1.267 20 0 BDADLO COC(=O)C[N@H+](C)Cc1c[nH]c2cnccc12 ZINC001231520393 977623483 /nfs/dbraw/zinc/62/34/83/977623483.db2.gz VZSVGYAHTMSJCW-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1c[nH]c2cnccc12 ZINC001231520393 977623488 /nfs/dbraw/zinc/62/34/88/977623488.db2.gz VZSVGYAHTMSJCW-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2nc(C)ccc2O)C[C@@H]1F ZINC001231670101 977685587 /nfs/dbraw/zinc/68/55/87/977685587.db2.gz XYQRZRXGEGATJR-CABZTGNLSA-N 1 2 240.278 1.264 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC001594555474 977709899 /nfs/dbraw/zinc/70/98/99/977709899.db2.gz GHROCFLSPXMWSK-GHMZBOCLSA-N 1 2 249.314 1.073 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC001594555474 977709914 /nfs/dbraw/zinc/70/99/14/977709914.db2.gz GHROCFLSPXMWSK-GHMZBOCLSA-N 1 2 249.314 1.073 20 0 BDADLO CCc1ccc(NCC[S@](=O)CC)[nH+]c1 ZINC001336502545 977727179 /nfs/dbraw/zinc/72/71/79/977727179.db2.gz CSELGFKEKNBNBZ-OAHLLOKOSA-N 1 2 226.345 1.825 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]1 ZINC001336569467 977787680 /nfs/dbraw/zinc/78/76/80/977787680.db2.gz NKXTVPXFJUOLSL-NXEZZACHSA-N 1 2 224.279 1.736 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)O[C@H](CO)C2)[nH+]1 ZINC001336595106 977804260 /nfs/dbraw/zinc/80/42/60/977804260.db2.gz CSOOWCLLTWTNMX-KOLCDFICSA-N 1 2 240.278 1.115 20 0 BDADLO COc1cnc(C[NH+]2CC3(C2)CCCOC3)cn1 ZINC001231938243 977806258 /nfs/dbraw/zinc/80/62/58/977806258.db2.gz BRTWDOKTJFSCPV-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COc1ccnc(C[NH+]2CC3(CSC3)C2)c1 ZINC001231970005 977813631 /nfs/dbraw/zinc/81/36/31/977813631.db2.gz VSRLOXJIKMYGBS-UHFFFAOYSA-N 1 2 236.340 1.639 20 0 BDADLO Cc1cc(F)cc(N2CC[C@](C)(C(N)=O)C2)[nH+]1 ZINC001336613564 977815049 /nfs/dbraw/zinc/81/50/49/977815049.db2.gz IBFARRROSSRBFQ-LBPRGKRZSA-N 1 2 237.278 1.231 20 0 BDADLO Cc1cccc2c1CN(c1cc(N)nc[nH+]1)CC2 ZINC001336621309 977818049 /nfs/dbraw/zinc/81/80/49/977818049.db2.gz LKJYZLROEXSHLK-UHFFFAOYSA-N 1 2 240.310 1.930 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)cc(C)n1 ZINC001231998541 977830743 /nfs/dbraw/zinc/83/07/43/977830743.db2.gz XWSWRKPRJLZACQ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)cc(C)n1 ZINC001231998541 977830746 /nfs/dbraw/zinc/83/07/46/977830746.db2.gz XWSWRKPRJLZACQ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cc(C)nc(C)c2)C1 ZINC001232000403 977831767 /nfs/dbraw/zinc/83/17/67/977831767.db2.gz KZXMZFWIJOJCJE-UHFFFAOYSA-N 1 2 248.326 1.693 20 0 BDADLO Cn1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)n1 ZINC001206257047 977832427 /nfs/dbraw/zinc/83/24/27/977832427.db2.gz NGKMUIDYGNLGAW-JTQLQIEISA-N 1 2 247.264 1.989 20 0 BDADLO Cn1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)n1 ZINC001206257047 977832429 /nfs/dbraw/zinc/83/24/29/977832429.db2.gz NGKMUIDYGNLGAW-JTQLQIEISA-N 1 2 247.264 1.989 20 0 BDADLO COc1cccc2[nH]cc(C[NH+]3CC(C)(O)C3)c21 ZINC001232035151 977856734 /nfs/dbraw/zinc/85/67/34/977856734.db2.gz XPQBZWOTWMYFNM-UHFFFAOYSA-N 1 2 246.310 1.743 20 0 BDADLO COc1cccc2[nH]cc(C[NH+]3CC(O)C3)c21 ZINC001232035237 977862780 /nfs/dbraw/zinc/86/27/80/977862780.db2.gz ZDXMYEGELHXLJS-UHFFFAOYSA-N 1 2 232.283 1.353 20 0 BDADLO Oc1cncc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001232040250 977868094 /nfs/dbraw/zinc/86/80/94/977868094.db2.gz GSKFQBLKYMCNQV-UHFFFAOYSA-N 1 2 234.299 1.400 20 0 BDADLO Oc1cncc(C[NH+]2CC(c3cccnc3)C2)c1 ZINC001232044871 977870152 /nfs/dbraw/zinc/87/01/52/977870152.db2.gz OZBCMQAISWAHHK-UHFFFAOYSA-N 1 2 241.294 1.782 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3ncccc3[nH]2)CCO1 ZINC001232061488 977874814 /nfs/dbraw/zinc/87/48/14/977874814.db2.gz HJGOMQPGMDQFNO-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3ncccc3[nH]2)CCO1 ZINC001232061488 977874817 /nfs/dbraw/zinc/87/48/17/977874817.db2.gz HJGOMQPGMDQFNO-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)[nH]1 ZINC001232072720 977880795 /nfs/dbraw/zinc/88/07/95/977880795.db2.gz GDGXICWZIYOVEQ-RKDXNWHRSA-N 1 2 240.278 1.734 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)[nH]1 ZINC001232072720 977880796 /nfs/dbraw/zinc/88/07/96/977880796.db2.gz GDGXICWZIYOVEQ-RKDXNWHRSA-N 1 2 240.278 1.734 20 0 BDADLO Cc1ccc(C[NH+]2CC(N3CC(F)C3)C2)c(C)n1 ZINC001232082304 977884599 /nfs/dbraw/zinc/88/45/99/977884599.db2.gz ZEIJEDJKRJOMFP-UHFFFAOYSA-N 1 2 249.333 1.536 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)c2ccccn2)o1 ZINC001336728409 977888834 /nfs/dbraw/zinc/88/88/34/977888834.db2.gz RAOYNALQRZSAAC-GZMMTYOYSA-N 1 2 248.286 1.157 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)c2ccccn2)o1 ZINC001336728414 977889480 /nfs/dbraw/zinc/88/94/80/977889480.db2.gz RAOYNALQRZSAAC-LDYMZIIASA-N 1 2 248.286 1.157 20 0 BDADLO c1cc(C[NH+]2CC3(CSC3)C2)sn1 ZINC001232193345 977914185 /nfs/dbraw/zinc/91/41/85/977914185.db2.gz BNFSPBSLOAPNQH-UHFFFAOYSA-N 1 2 212.343 1.692 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)n1 ZINC001336758212 977924243 /nfs/dbraw/zinc/92/42/43/977924243.db2.gz PUCIPDQKQUUXMF-BQBZGAKWSA-N 1 2 246.261 1.084 20 0 BDADLO COc1cc[nH+]cc1Nc1nccnc1N(C)C ZINC001176117264 977943794 /nfs/dbraw/zinc/94/37/94/977943794.db2.gz YMWWTHNTQJMTAM-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO COc1cc[nH+]cc1-n1nc(C2CC2)cc1N ZINC001176117249 977946539 /nfs/dbraw/zinc/94/65/39/977946539.db2.gz XPXCVRBEBLJMLX-UHFFFAOYSA-N 1 2 230.271 1.736 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+]CC(F)F)cc1 ZINC001336778616 977950818 /nfs/dbraw/zinc/95/08/18/977950818.db2.gz JFXWEDDCEDIZRM-JTQLQIEISA-N 1 2 215.243 1.883 20 0 BDADLO COc1cc[nH+]cc1Nc1ncccc1CCO ZINC001176121983 977957815 /nfs/dbraw/zinc/95/78/15/977957815.db2.gz WZXPULSQAUEHIA-UHFFFAOYSA-N 1 2 245.282 1.764 20 0 BDADLO c1nscc1C[N@@H+]1CC[C@]12CCOC2 ZINC001232231305 977966572 /nfs/dbraw/zinc/96/65/72/977966572.db2.gz MZODCVIWBFIEHS-SNVBAGLBSA-N 1 2 210.302 1.508 20 0 BDADLO c1nscc1C[N@H+]1CC[C@]12CCOC2 ZINC001232231305 977966584 /nfs/dbraw/zinc/96/65/84/977966584.db2.gz MZODCVIWBFIEHS-SNVBAGLBSA-N 1 2 210.302 1.508 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1 ZINC001232332829 978007521 /nfs/dbraw/zinc/00/75/21/978007521.db2.gz VOFYQNQOUZDRPY-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1 ZINC001232332829 978007530 /nfs/dbraw/zinc/00/75/30/978007530.db2.gz VOFYQNQOUZDRPY-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CCC(=O)[C@H](F)C1 ZINC001232341441 978018239 /nfs/dbraw/zinc/01/82/39/978018239.db2.gz WNZZTXHSUCVFIA-SNVBAGLBSA-N 1 2 237.278 1.085 20 0 BDADLO COc1cc(C)c(C[N@H+](C)C2COC2)cn1 ZINC001232352381 978034813 /nfs/dbraw/zinc/03/48/13/978034813.db2.gz LUOKZUVXMXKSQD-UHFFFAOYSA-N 1 2 222.288 1.229 20 0 BDADLO COc1cc(C)c(C[N@@H+](C)C2COC2)cn1 ZINC001232352381 978034822 /nfs/dbraw/zinc/03/48/22/978034822.db2.gz LUOKZUVXMXKSQD-UHFFFAOYSA-N 1 2 222.288 1.229 20 0 BDADLO COc1cc[nH+]c(Nc2cnc(C)nc2)c1 ZINC001176393901 978042673 /nfs/dbraw/zinc/04/26/73/978042673.db2.gz WVYLGYBMENDNDU-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO CC1(C)C[N@H+](Cc2[nH]nc3c2CCC3)CCO1 ZINC001232425560 978063749 /nfs/dbraw/zinc/06/37/49/978063749.db2.gz DTFINIXKAUHEQC-UHFFFAOYSA-N 1 2 235.331 1.509 20 0 BDADLO CC1(C)C[N@@H+](Cc2[nH]nc3c2CCC3)CCO1 ZINC001232425560 978063765 /nfs/dbraw/zinc/06/37/65/978063765.db2.gz DTFINIXKAUHEQC-UHFFFAOYSA-N 1 2 235.331 1.509 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232428775 978070118 /nfs/dbraw/zinc/07/01/18/978070118.db2.gz SBMBAXATOCHGKA-RKDXNWHRSA-N 1 2 223.295 1.831 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232428775 978070128 /nfs/dbraw/zinc/07/01/28/978070128.db2.gz SBMBAXATOCHGKA-RKDXNWHRSA-N 1 2 223.295 1.831 20 0 BDADLO Cc1[nH]c(CN(C)CC(=O)OC(C)(C)C)c[nH+]1 ZINC001232459955 978087508 /nfs/dbraw/zinc/08/75/08/978087508.db2.gz KMQIBAWLZYVGMI-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO Cc1[nH]cc(CN(C)CC(=O)OC(C)(C)C)[nH+]1 ZINC001232459955 978087515 /nfs/dbraw/zinc/08/75/15/978087515.db2.gz KMQIBAWLZYVGMI-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO CCc1csc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)n1 ZINC001232468976 978118320 /nfs/dbraw/zinc/11/83/20/978118320.db2.gz HIKMISKNMNSCGA-VHSXEESVSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1csc(C[N@H+]2CC[C@H](F)[C@H](O)C2)n1 ZINC001232468976 978118330 /nfs/dbraw/zinc/11/83/30/978118330.db2.gz HIKMISKNMNSCGA-VHSXEESVSA-N 1 2 244.335 1.610 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCc1cccc(O)c1 ZINC001595792353 978140222 /nfs/dbraw/zinc/14/02/22/978140222.db2.gz GWFJEBGXQIBSKL-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO CCc1ccc(N2CCNC(=O)[C@@H]2CC)[nH+]c1 ZINC001337066841 978151931 /nfs/dbraw/zinc/15/19/31/978151931.db2.gz MYJZBDXJRXQXJJ-NSHDSACASA-N 1 2 233.315 1.359 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cccc(CF)n1)C2 ZINC001232535845 978164192 /nfs/dbraw/zinc/16/41/92/978164192.db2.gz NDRCWKIOIBZJAM-UHFFFAOYSA-N 1 2 236.290 1.508 20 0 BDADLO Nc1cn(-c2ccc[nH+]c2N2CCCC2)nc1N ZINC001176749767 978172049 /nfs/dbraw/zinc/17/20/49/978172049.db2.gz JTQCBCRLQADONU-UHFFFAOYSA-N 1 2 244.302 1.032 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC001176825913 978190426 /nfs/dbraw/zinc/19/04/26/978190426.db2.gz DVIVBRHXYWFPBV-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nccnc1C1CC1 ZINC001176826285 978193974 /nfs/dbraw/zinc/19/39/74/978193974.db2.gz LLEIPRBXDYGORS-UHFFFAOYSA-N 1 2 243.270 1.258 20 0 BDADLO CC(C)(CNC(=O)Cc1c[nH]c[nH+]1)CC1CC1 ZINC001176836511 978202952 /nfs/dbraw/zinc/20/29/52/978202952.db2.gz REVCEUYCTNMPHE-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(c2cccnc2)CC1 ZINC001176836638 978205956 /nfs/dbraw/zinc/20/59/56/978205956.db2.gz MVKKJJFYWLGMEH-UHFFFAOYSA-N 1 2 242.282 1.153 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001176873745 978224213 /nfs/dbraw/zinc/22/42/13/978224213.db2.gz CZBJQTKYFMVUFM-DCAQKATOSA-N 1 2 237.278 1.090 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(Br)[nH]2)C1 ZINC001232684359 978252275 /nfs/dbraw/zinc/25/22/75/978252275.db2.gz QBYVCWVOHGCDKY-MRVPVSSYSA-N 1 2 245.120 1.344 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(Br)[nH]2)C1 ZINC001232684359 978252283 /nfs/dbraw/zinc/25/22/83/978252283.db2.gz QBYVCWVOHGCDKY-MRVPVSSYSA-N 1 2 245.120 1.344 20 0 BDADLO CNC(=O)CC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001176898905 978256083 /nfs/dbraw/zinc/25/60/83/978256083.db2.gz UOMIPNZRQJEVLI-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO CNC(=O)CC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001176898905 978256086 /nfs/dbraw/zinc/25/60/86/978256086.db2.gz UOMIPNZRQJEVLI-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001337274549 978258237 /nfs/dbraw/zinc/25/82/37/978258237.db2.gz LQSXGFXYHVNWDP-WCBMZHEXSA-N 1 2 225.267 1.062 20 0 BDADLO COc1cc(O)cc(C[N@H+](C)CC(C)=O)c1 ZINC001232805851 978268542 /nfs/dbraw/zinc/26/85/42/978268542.db2.gz RZJOTSZRVFOTPN-UHFFFAOYSA-N 1 2 223.272 1.422 20 0 BDADLO COc1cc(O)cc(C[N@@H+](C)CC(C)=O)c1 ZINC001232805851 978268548 /nfs/dbraw/zinc/26/85/48/978268548.db2.gz RZJOTSZRVFOTPN-UHFFFAOYSA-N 1 2 223.272 1.422 20 0 BDADLO OCCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001232781141 978271002 /nfs/dbraw/zinc/27/10/02/978271002.db2.gz UXCZLLJVWAXVBS-UONOGXRCSA-N 1 2 233.311 1.195 20 0 BDADLO OCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001232781141 978271006 /nfs/dbraw/zinc/27/10/06/978271006.db2.gz UXCZLLJVWAXVBS-UONOGXRCSA-N 1 2 233.311 1.195 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cn2ccccc2n1 ZINC001177127547 978294026 /nfs/dbraw/zinc/29/40/26/978294026.db2.gz HTKDJUCBUCSUFA-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1nccs1 ZINC001337343618 978296471 /nfs/dbraw/zinc/29/64/71/978296471.db2.gz KQTMGPABPCJLAX-NSCUHMNNSA-N 1 2 248.311 1.206 20 0 BDADLO COc1cc(O)cc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC001232805791 978300037 /nfs/dbraw/zinc/30/00/37/978300037.db2.gz QMCDQDWCDORYME-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO COc1cc(O)cc(C[N@H+]2CC[C@H](F)C2)c1 ZINC001232805791 978300051 /nfs/dbraw/zinc/30/00/51/978300051.db2.gz QMCDQDWCDORYME-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H](F)C(C)C)c[nH+]1 ZINC001597256927 978300301 /nfs/dbraw/zinc/30/03/01/978300301.db2.gz AIHLQVSEGZKYGD-SNVBAGLBSA-N 1 2 227.283 1.582 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H](F)C(C)C)[nH+]1 ZINC001597256927 978300313 /nfs/dbraw/zinc/30/03/13/978300313.db2.gz AIHLQVSEGZKYGD-SNVBAGLBSA-N 1 2 227.283 1.582 20 0 BDADLO COc1cc(O)cc(C[N@@H+]2CCCC23COC3)c1 ZINC001232803913 978301350 /nfs/dbraw/zinc/30/13/50/978301350.db2.gz RCCVGTMPCAUNKH-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1cc(O)cc(C[N@H+]2CCCC23COC3)c1 ZINC001232803913 978301358 /nfs/dbraw/zinc/30/13/58/978301358.db2.gz RCCVGTMPCAUNKH-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO CC[C@@H](C)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177413897 978353482 /nfs/dbraw/zinc/35/34/82/978353482.db2.gz KKUZOUYDNDAPMW-SNVBAGLBSA-N 1 2 221.304 1.433 20 0 BDADLO Cc1ncc(F)cc1C[NH+]1CC2(COC2)C1 ZINC001232986566 978379972 /nfs/dbraw/zinc/37/99/72/978379972.db2.gz QXCBIPCDHNLYQA-UHFFFAOYSA-N 1 2 222.263 1.361 20 0 BDADLO C[C@H](CC(=O)Nc1ccsn1)n1cc[nH+]c1 ZINC001597911749 978387103 /nfs/dbraw/zinc/38/71/03/978387103.db2.gz IHSQFLYHSQIUDW-MRVPVSSYSA-N 1 2 236.300 1.929 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1F ZINC001233054209 978449602 /nfs/dbraw/zinc/44/96/02/978449602.db2.gz FXDAREWITLJTTO-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@@]23CCOC3)c1F ZINC001233054209 978449609 /nfs/dbraw/zinc/44/96/09/978449609.db2.gz FXDAREWITLJTTO-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc3ccccn3n2)C1 ZINC001233069022 978454592 /nfs/dbraw/zinc/45/45/92/978454592.db2.gz OXLFVANPLWOTKL-JTQLQIEISA-N 1 2 216.288 1.571 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc3ccccn3n2)C1 ZINC001233069022 978454596 /nfs/dbraw/zinc/45/45/96/978454596.db2.gz OXLFVANPLWOTKL-JTQLQIEISA-N 1 2 216.288 1.571 20 0 BDADLO c1ccn2nc(C[N@@H+]3C[C@H]4CC[C@@H]3C4)nc2c1 ZINC001233073172 978461101 /nfs/dbraw/zinc/46/11/01/978461101.db2.gz MPRKYHPOEWTKIC-WDEREUQCSA-N 1 2 228.299 1.714 20 0 BDADLO c1ccn2nc(C[N@H+]3C[C@H]4CC[C@@H]3C4)nc2c1 ZINC001233073172 978461107 /nfs/dbraw/zinc/46/11/07/978461107.db2.gz MPRKYHPOEWTKIC-WDEREUQCSA-N 1 2 228.299 1.714 20 0 BDADLO CCc1nccnc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921420 978473495 /nfs/dbraw/zinc/47/34/95/978473495.db2.gz DJJPAHMVJZWMPY-SECBINFHSA-N 1 2 245.286 1.435 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)C[C@H]1CF)n1cc[nH+]c1 ZINC001177923280 978473510 /nfs/dbraw/zinc/47/35/10/978473510.db2.gz XEERUDLOPJLNON-AXFHLTTASA-N 1 2 239.294 1.651 20 0 BDADLO Cc1ncn(C)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921946 978474372 /nfs/dbraw/zinc/47/43/72/978474372.db2.gz MZAGIQRYPOXCIA-SECBINFHSA-N 1 2 233.275 1.125 20 0 BDADLO C[C@H](C(=O)N1CCCC(=O)CC1)n1cc[nH+]c1 ZINC001177923170 978474904 /nfs/dbraw/zinc/47/49/04/978474904.db2.gz WBTDUJVIRTWOSE-SNVBAGLBSA-N 1 2 235.287 1.026 20 0 BDADLO C[C@H](C(=O)N1C[C@H](C)CC12CC2)n1cc[nH+]c1 ZINC001177925520 978476788 /nfs/dbraw/zinc/47/67/88/978476788.db2.gz KYYJNBYILAXVDR-GHMZBOCLSA-N 1 2 233.315 1.845 20 0 BDADLO C[C@H](C(=O)NC1(CC2CC2)CC1)n1cc[nH+]c1 ZINC001177930080 978480235 /nfs/dbraw/zinc/48/02/35/978480235.db2.gz ZLDBZOXAUCJWRY-SNVBAGLBSA-N 1 2 233.315 1.893 20 0 BDADLO Cc1ncnc(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177993746 978493517 /nfs/dbraw/zinc/49/35/17/978493517.db2.gz QKVZELZOLJFPJZ-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO Cc1cc(F)cc(NCC[S@@](C)=O)[nH+]1 ZINC001337781354 978493726 /nfs/dbraw/zinc/49/37/26/978493726.db2.gz FVCKQXAOCUPWNE-CQSZACIVSA-N 1 2 216.281 1.320 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccncc1 ZINC001177989761 978493734 /nfs/dbraw/zinc/49/37/34/978493734.db2.gz AMIBQUGMDDCUMF-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@@H]1F ZINC001204208901 978494299 /nfs/dbraw/zinc/49/42/99/978494299.db2.gz WAFFWIGPLHLYRA-JQWIXIFHSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@@H]1F ZINC001204208901 978494307 /nfs/dbraw/zinc/49/43/07/978494307.db2.gz WAFFWIGPLHLYRA-JQWIXIFHSA-N 1 2 245.244 1.870 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccc(C)c(O)c2)CC1 ZINC001233228426 978496493 /nfs/dbraw/zinc/49/64/93/978496493.db2.gz BGXRBCXOWMFWLB-UHFFFAOYSA-N 1 2 248.326 1.365 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1O ZINC001233229689 978496866 /nfs/dbraw/zinc/49/68/66/978496866.db2.gz QZJHFPQCTGFFSU-NWDGAFQWSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1O ZINC001233229689 978496871 /nfs/dbraw/zinc/49/68/71/978496871.db2.gz QZJHFPQCTGFFSU-NWDGAFQWSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1ccc(C[N@@H+](C)C2COC2)cc1O ZINC001233233531 978500805 /nfs/dbraw/zinc/50/08/05/978500805.db2.gz JSNJGGRXQZGELW-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO Cc1ccc(C[N@H+](C)C2COC2)cc1O ZINC001233233531 978500815 /nfs/dbraw/zinc/50/08/15/978500815.db2.gz JSNJGGRXQZGELW-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1O ZINC001233231321 978504127 /nfs/dbraw/zinc/50/41/27/978504127.db2.gz SULPYFDPDJJKOM-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1O ZINC001233231321 978504130 /nfs/dbraw/zinc/50/41/30/978504130.db2.gz SULPYFDPDJJKOM-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO c1cc2c(c(C[NH+]3CC4(C3)CCCO4)c1)CCO2 ZINC001233274011 978520924 /nfs/dbraw/zinc/52/09/24/978520924.db2.gz ARGKERMIPNVSJL-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO CCc1ccc(N2CC[C@@H](C)[C@@H]2CO)[nH+]c1 ZINC001337846811 978522599 /nfs/dbraw/zinc/52/25/99/978522599.db2.gz OMOVWAXUIMUJGA-PWSUYJOCSA-N 1 2 220.316 1.851 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@@H]1F ZINC001204214126 978539470 /nfs/dbraw/zinc/53/94/70/978539470.db2.gz HTCGBCBRALDGTE-NWDGAFQWSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@@H]1F ZINC001204214126 978539487 /nfs/dbraw/zinc/53/94/87/978539487.db2.gz HTCGBCBRALDGTE-NWDGAFQWSA-N 1 2 245.244 1.870 20 0 BDADLO CCCCCOC1CN(c2cc(N)nc[nH+]2)C1 ZINC001337885614 978549093 /nfs/dbraw/zinc/54/90/93/978549093.db2.gz TWJMZFXFKWKHDG-UHFFFAOYSA-N 1 2 236.319 1.454 20 0 BDADLO CC(=O)N1CCC2(C[NH+](Cc3cnc(C)o3)C2)C1 ZINC001233366913 978581311 /nfs/dbraw/zinc/58/13/11/978581311.db2.gz YGZWUIUAVYEIAD-UHFFFAOYSA-N 1 2 249.314 1.037 20 0 BDADLO COC(=O)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC001249879332 978603577 /nfs/dbraw/zinc/60/35/77/978603577.db2.gz VLFLTMCZWDUPCS-UHFFFAOYSA-N 1 2 230.267 1.647 20 0 BDADLO CCC[C@H](OC)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178669906 978604262 /nfs/dbraw/zinc/60/42/62/978604262.db2.gz QVKNEOLWANDECI-JTQLQIEISA-N 1 2 239.319 1.403 20 0 BDADLO CCC[C@H](OC)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178669906 978604264 /nfs/dbraw/zinc/60/42/64/978604264.db2.gz QVKNEOLWANDECI-JTQLQIEISA-N 1 2 239.319 1.403 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@H](CC2CC2)C(=O)[O-])n1C ZINC001600737315 978725468 /nfs/dbraw/zinc/72/54/68/978725468.db2.gz QQLQQZTZAHFKGS-LLVKDONJSA-N 1 2 237.303 1.071 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2cnccn2)n1 ZINC001179788953 978755112 /nfs/dbraw/zinc/75/51/12/978755112.db2.gz IYUKQPHJUXETIE-UHFFFAOYSA-N 1 2 244.298 1.560 20 0 BDADLO CC(C)c1oncc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001339143142 978803441 /nfs/dbraw/zinc/80/34/41/978803441.db2.gz ZUWLTROWJMXPAX-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](C)C(F)(F)F ZINC000441158251 978818644 /nfs/dbraw/zinc/81/86/44/978818644.db2.gz PDLROUUTYAZJRD-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H](C)C(F)(F)F ZINC000441158251 978818647 /nfs/dbraw/zinc/81/86/47/978818647.db2.gz PDLROUUTYAZJRD-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C1(C)CC1 ZINC001234454223 978841358 /nfs/dbraw/zinc/84/13/58/978841358.db2.gz GNYVLGQXLPXSEH-JTQLQIEISA-N 1 2 228.311 1.289 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C1(C)CC1 ZINC001234454223 978841360 /nfs/dbraw/zinc/84/13/60/978841360.db2.gz GNYVLGQXLPXSEH-JTQLQIEISA-N 1 2 228.311 1.289 20 0 BDADLO CC(C)[NH+]1CC(Oc2nccc(Cl)n2)C1 ZINC001234533272 978856413 /nfs/dbraw/zinc/85/64/13/978856413.db2.gz BSORCMLRJGEMHV-UHFFFAOYSA-N 1 2 227.695 1.601 20 0 BDADLO Cc1[nH]c(CN2CC(OCC(C)C)C2)[nH+]c1C ZINC001180343858 978861429 /nfs/dbraw/zinc/86/14/29/978861429.db2.gz BJIWXFNDJAOLLW-UHFFFAOYSA-N 1 2 237.347 1.883 20 0 BDADLO O=C([O-])CC1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC001601945395 978871665 /nfs/dbraw/zinc/87/16/65/978871665.db2.gz SJOZZVCSYLOYJU-YVNMAJEFSA-N 1 2 249.314 1.041 20 0 BDADLO CCCc1cnn(CC[NH+]2CCOCC2)c1 ZINC001249967480 978878812 /nfs/dbraw/zinc/87/88/12/978878812.db2.gz BFSKAVWCLZCVFZ-UHFFFAOYSA-N 1 2 223.320 1.168 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001339633149 978883414 /nfs/dbraw/zinc/88/34/14/978883414.db2.gz GNRMCPVECFZGCB-GRYCIOLGSA-N 1 2 235.331 1.997 20 0 BDADLO CCc1ccc(N2CCO[C@]3(CCOC3)C2)[nH+]c1 ZINC001339665104 978889289 /nfs/dbraw/zinc/88/92/89/978889289.db2.gz CRTXGGCXDNNJSZ-CQSZACIVSA-N 1 2 248.326 1.640 20 0 BDADLO Cc1ccc(CC(=O)NC2C[NH+](C)C2)cc1C ZINC001180463539 978889730 /nfs/dbraw/zinc/88/97/30/978889730.db2.gz OGNIOHNUSGOYCE-UHFFFAOYSA-N 1 2 232.327 1.276 20 0 BDADLO CCc1ccc(OCC(=O)NC2C[NH+](C)C2)cc1 ZINC001180516211 978893062 /nfs/dbraw/zinc/89/30/62/978893062.db2.gz PXTSNHNTNQDGTL-UHFFFAOYSA-N 1 2 248.326 1.058 20 0 BDADLO Cc1ccccc1O[C@@H](C)C(=O)NC1C[NH+](C)C1 ZINC001180527008 978894823 /nfs/dbraw/zinc/89/48/23/978894823.db2.gz RGHBWCACPAFXPP-NSHDSACASA-N 1 2 248.326 1.193 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(N)nc[nH+]1 ZINC001339692617 978895613 /nfs/dbraw/zinc/89/56/13/978895613.db2.gz SMKSYIAFFUQWSX-NKWVEPMBSA-N 1 2 246.236 1.836 20 0 BDADLO c1cc(CNc2cc(NC3CC3)[nH+]cn2)ncn1 ZINC001339720829 978898679 /nfs/dbraw/zinc/89/86/79/978898679.db2.gz MICSOWHMTHEQTQ-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO c1cc(CNc2cc(NC3CC3)nc[nH+]2)ncn1 ZINC001339720829 978898681 /nfs/dbraw/zinc/89/86/81/978898681.db2.gz MICSOWHMTHEQTQ-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO Nc1cc(N2CC[C@@H]3CSC[C@H]3C2)[nH+]cn1 ZINC001339798371 978914786 /nfs/dbraw/zinc/91/47/86/978914786.db2.gz GWKNIAFJROPRED-RKDXNWHRSA-N 1 2 236.344 1.248 20 0 BDADLO CCC[N@H+](CCOC)Cc1ncc(F)cn1 ZINC001234999892 978947721 /nfs/dbraw/zinc/94/77/21/978947721.db2.gz MBXTYVBQVBPYQX-UHFFFAOYSA-N 1 2 227.283 1.474 20 0 BDADLO CCC[N@@H+](CCOC)Cc1ncc(F)cn1 ZINC001234999892 978947724 /nfs/dbraw/zinc/94/77/24/978947724.db2.gz MBXTYVBQVBPYQX-UHFFFAOYSA-N 1 2 227.283 1.474 20 0 BDADLO OC1C[NH+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235083795 978973769 /nfs/dbraw/zinc/97/37/69/978973769.db2.gz JMUKGPQROOBHQK-UHFFFAOYSA-N 1 2 232.327 1.463 20 0 BDADLO COCCCC[S@@](=O)Cc1c[nH+]cn1C ZINC001340276155 979002642 /nfs/dbraw/zinc/00/26/42/979002642.db2.gz JNPFOPPWUALHPC-OAHLLOKOSA-N 1 2 230.333 1.095 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2cccc(F)c2[nH]1 ZINC001235239691 979002441 /nfs/dbraw/zinc/00/24/41/979002441.db2.gz RGFNMGBJNDTMKT-UHFFFAOYSA-N 1 2 249.289 1.485 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2cccc(F)c2[nH]1 ZINC001235239691 979002446 /nfs/dbraw/zinc/00/24/46/979002446.db2.gz RGFNMGBJNDTMKT-UHFFFAOYSA-N 1 2 249.289 1.485 20 0 BDADLO CCc1cccc(C[N@@H+]2CCCN(C)C(=O)C2)n1 ZINC001235261881 979013189 /nfs/dbraw/zinc/01/31/89/979013189.db2.gz UWHKXYNPYDHHOJ-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO CCc1cccc(C[N@H+]2CCCN(C)C(=O)C2)n1 ZINC001235261881 979013198 /nfs/dbraw/zinc/01/31/98/979013198.db2.gz UWHKXYNPYDHHOJ-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO CC(C)N(C(=O)Cc1cc[nH+]c(N)c1)C(C)C ZINC001181229111 979024918 /nfs/dbraw/zinc/02/49/18/979024918.db2.gz HCDJVXUEPXDWTN-UHFFFAOYSA-N 1 2 235.331 1.852 20 0 BDADLO Cc1cnc(F)c(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC001235335272 979026783 /nfs/dbraw/zinc/02/67/83/979026783.db2.gz RBAXNDJENRNJIU-NSHDSACASA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cnc(F)c(C[N@H+](C)[C@H]2CCOC2)c1 ZINC001235335272 979026787 /nfs/dbraw/zinc/02/67/87/979026787.db2.gz RBAXNDJENRNJIU-NSHDSACASA-N 1 2 224.279 1.750 20 0 BDADLO C[C@H](NC(=O)Cc1cc[nH+]c(N)c1)C1CC1 ZINC001181265100 979029987 /nfs/dbraw/zinc/02/99/87/979029987.db2.gz OXNKOZAZDIOZPW-QMMMGPOBSA-N 1 2 219.288 1.121 20 0 BDADLO Nc1cc(CC(=O)N[C@@H]2CC23CCC3)cc[nH+]1 ZINC001181280271 979031299 /nfs/dbraw/zinc/03/12/99/979031299.db2.gz VABQMXUINMTRHH-SNVBAGLBSA-N 1 2 231.299 1.265 20 0 BDADLO C[C@@H](NC(=O)Cc1cc[nH+]c(N)c1)c1ccno1 ZINC001181276853 979031899 /nfs/dbraw/zinc/03/18/99/979031899.db2.gz JLNCBIWQIGVSBA-MRVPVSSYSA-N 1 2 246.270 1.072 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@H]2CC2(C)C)[nH+]1 ZINC001181300667 979036485 /nfs/dbraw/zinc/03/64/85/979036485.db2.gz UYIIDCXQWFGCOD-SECBINFHSA-N 1 2 221.304 1.423 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cncc(F)c2Cl)C1 ZINC001235493468 979055406 /nfs/dbraw/zinc/05/54/06/979055406.db2.gz BPWWBGBPYFBUCD-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cncc(F)c2Cl)C1 ZINC001235493468 979055411 /nfs/dbraw/zinc/05/54/11/979055411.db2.gz BPWWBGBPYFBUCD-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001235539326 979080330 /nfs/dbraw/zinc/08/03/30/979080330.db2.gz SWYSNJFRIQCUGD-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001235539326 979080343 /nfs/dbraw/zinc/08/03/43/979080343.db2.gz SWYSNJFRIQCUGD-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO OCCCC[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001235985167 979264626 /nfs/dbraw/zinc/26/46/26/979264626.db2.gz JPJAOLRKJBOQNR-CIUDSAMLSA-N 1 2 239.237 1.163 20 0 BDADLO CCC(CC)(C[NH2+]CCn1cc[nH+]c1)C(=O)[O-] ZINC001595079550 979364491 /nfs/dbraw/zinc/36/44/91/979364491.db2.gz RRWQUPSDOFVHSN-UHFFFAOYSA-N 1 2 239.319 1.364 20 0 BDADLO Cc1ccc(Nc2cccnc2C(N)=O)c(C)[nH+]1 ZINC001203369556 979449937 /nfs/dbraw/zinc/44/99/37/979449937.db2.gz AAHCHVOWYJJFOY-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO CCOc1cc(C[N@H+](C)CCO)c(F)cn1 ZINC001236259095 979481428 /nfs/dbraw/zinc/48/14/28/979481428.db2.gz OXWKSKWZZASWFR-UHFFFAOYSA-N 1 2 228.267 1.044 20 0 BDADLO CCOc1cc(C[N@@H+](C)CCO)c(F)cn1 ZINC001236259095 979481434 /nfs/dbraw/zinc/48/14/34/979481434.db2.gz OXWKSKWZZASWFR-UHFFFAOYSA-N 1 2 228.267 1.044 20 0 BDADLO CN1c2ccc(-c3ccc(N)[nH+]c3)cc2CC1=O ZINC001236312376 979517414 /nfs/dbraw/zinc/51/74/14/979517414.db2.gz NKBGGGHMKWNWDG-UHFFFAOYSA-N 1 2 239.278 1.850 20 0 BDADLO CNC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1F ZINC001236316389 979528348 /nfs/dbraw/zinc/52/83/48/979528348.db2.gz MRTJXMQUOOXZCA-UHFFFAOYSA-N 1 2 245.257 1.830 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1CCC[C@H](F)C1)C(F)F ZINC001341897790 979590020 /nfs/dbraw/zinc/59/00/20/979590020.db2.gz NWEIKDZWKJRNLO-XLPZGREQSA-N 1 2 238.253 1.366 20 0 BDADLO CN(C)C(=O)c1cc(F)cc(-c2c[nH+]cn2C)c1 ZINC001236508505 979612506 /nfs/dbraw/zinc/61/25/06/979612506.db2.gz XFMQKOJBABELSF-UHFFFAOYSA-N 1 2 247.273 1.928 20 0 BDADLO Cc1ncnc(C)c1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182828335 979651539 /nfs/dbraw/zinc/65/15/39/979651539.db2.gz DMYYZUXBZMOBQU-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO Cc1ncnc(C)c1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182828335 979651542 /nfs/dbraw/zinc/65/15/42/979651542.db2.gz DMYYZUXBZMOBQU-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614106 979681352 /nfs/dbraw/zinc/68/13/52/979681352.db2.gz OJBRDUVHUSQAMO-MRVPVSSYSA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614106 979681355 /nfs/dbraw/zinc/68/13/55/979681355.db2.gz OJBRDUVHUSQAMO-MRVPVSSYSA-N 1 2 227.695 1.351 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccnc2Cl)CCCO1 ZINC001236614396 979681427 /nfs/dbraw/zinc/68/14/27/979681427.db2.gz ZPMJARSCWKIWNY-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccnc2Cl)CCCO1 ZINC001236614396 979681431 /nfs/dbraw/zinc/68/14/31/979681431.db2.gz ZPMJARSCWKIWNY-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO FC(F)n1cccc1C[NH2+]Cc1cnn[nH]1 ZINC001183035906 979707679 /nfs/dbraw/zinc/70/76/79/979707679.db2.gz LWSUJQJEMIAGIB-UHFFFAOYSA-N 1 2 227.218 1.291 20 0 BDADLO C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001604753603 979715402 /nfs/dbraw/zinc/71/54/02/979715402.db2.gz DUBLJKLYSDZYMG-GRYCIOLGSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001604753603 979715392 /nfs/dbraw/zinc/71/53/92/979715392.db2.gz DUBLJKLYSDZYMG-GRYCIOLGSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001604753606 979717180 /nfs/dbraw/zinc/71/71/80/979717180.db2.gz DUBLJKLYSDZYMG-WOPDTQHZSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001604753606 979717192 /nfs/dbraw/zinc/71/71/92/979717192.db2.gz DUBLJKLYSDZYMG-WOPDTQHZSA-N 1 2 240.347 1.171 20 0 BDADLO CCOc1cncc(C[N@@H+]2CCCC23COC3)c1 ZINC001236838266 979753472 /nfs/dbraw/zinc/75/34/72/979753472.db2.gz CYRJHZSMQAMPTF-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1cncc(C[N@H+]2CCCC23COC3)c1 ZINC001236838266 979753484 /nfs/dbraw/zinc/75/34/84/979753484.db2.gz CYRJHZSMQAMPTF-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@H]2C)[nH]n1 ZINC001237035910 979808939 /nfs/dbraw/zinc/80/89/39/979808939.db2.gz SWKRRWLPMWGYPN-QMMMGPOBSA-N 1 2 223.276 1.181 20 0 BDADLO O=c1[nH]c(Cl)c(C[NH+]2CC=CC2)s1 ZINC001237160179 979823856 /nfs/dbraw/zinc/82/38/56/979823856.db2.gz HJBBZZFMCZFSMB-UHFFFAOYSA-N 1 2 216.693 1.874 20 0 BDADLO C[C@H](OCc1ccccc1)C(=O)NC1C[NH+](C)C1 ZINC001183495117 979839834 /nfs/dbraw/zinc/83/98/34/979839834.db2.gz KEFCEHAONAKJGT-NSHDSACASA-N 1 2 248.326 1.022 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)c1ncc[nH]1)n1cc[nH+]c1 ZINC001183535004 979849936 /nfs/dbraw/zinc/84/99/36/979849936.db2.gz DFWMRXZLJRNPHO-UWVGGRQHSA-N 1 2 247.302 1.435 20 0 BDADLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3C)c1C ZINC001278090861 979876751 /nfs/dbraw/zinc/87/67/51/979876751.db2.gz UIRXLMQAATZSLL-JOYOIKCWSA-N 1 2 235.287 1.324 20 0 BDADLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3C)c1C ZINC001278090861 979876759 /nfs/dbraw/zinc/87/67/59/979876759.db2.gz UIRXLMQAATZSLL-JOYOIKCWSA-N 1 2 235.287 1.324 20 0 BDADLO C[N@H+](Cc1cc2ccccn2n1)[C@H]1CCOC1 ZINC001237445375 979888966 /nfs/dbraw/zinc/88/89/66/979888966.db2.gz GUJLCUXMSCZREG-ZDUSSCGKSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1cc2ccccn2n1)[C@H]1CCOC1 ZINC001237445375 979888969 /nfs/dbraw/zinc/88/89/69/979888969.db2.gz GUJLCUXMSCZREG-ZDUSSCGKSA-N 1 2 231.299 1.555 20 0 BDADLO Nc1ccc(CCC(=O)N[C@@H]2C[C@@H]2C2CC2)c[nH+]1 ZINC001183940214 979905960 /nfs/dbraw/zinc/90/59/60/979905960.db2.gz WAAYUIYBKKQMER-VXGBXAGGSA-N 1 2 245.326 1.511 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn3nccc3c2)CCO1 ZINC001237538128 979932863 /nfs/dbraw/zinc/93/28/63/979932863.db2.gz JEZXRWZAIHBRCM-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn3nccc3c2)CCO1 ZINC001237538128 979932875 /nfs/dbraw/zinc/93/28/75/979932875.db2.gz JEZXRWZAIHBRCM-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO Cc1coc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC001237634103 979984796 /nfs/dbraw/zinc/98/47/96/979984796.db2.gz CSKPEYGVRRXZTB-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO Cc1coc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC001237634103 979984808 /nfs/dbraw/zinc/98/48/08/979984808.db2.gz CSKPEYGVRRXZTB-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001237636844 979990514 /nfs/dbraw/zinc/99/05/14/979990514.db2.gz CJKCWJOVXDQXHE-NXEZZACHSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001237636844 979990523 /nfs/dbraw/zinc/99/05/23/979990523.db2.gz CJKCWJOVXDQXHE-NXEZZACHSA-N 1 2 208.261 1.346 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCOCC1(C)C ZINC001237651457 980006914 /nfs/dbraw/zinc/00/69/14/980006914.db2.gz QTWCJNICNNSNHJ-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCOCC1(C)C ZINC001237651457 980006921 /nfs/dbraw/zinc/00/69/21/980006921.db2.gz QTWCJNICNNSNHJ-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@H+](C)CCSC ZINC001237653015 980011765 /nfs/dbraw/zinc/01/17/65/980011765.db2.gz HVQJOVZGLGTORM-UHFFFAOYSA-N 1 2 213.350 1.767 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](C)CCSC ZINC001237653015 980011772 /nfs/dbraw/zinc/01/17/72/980011772.db2.gz HVQJOVZGLGTORM-UHFFFAOYSA-N 1 2 213.350 1.767 20 0 BDADLO CCc1[nH]ncc1CN1CC[NH+](C2CCC2)CC1 ZINC001237652831 980016968 /nfs/dbraw/zinc/01/69/68/980016968.db2.gz YPQPKWIYYBUXSN-UHFFFAOYSA-N 1 2 248.374 1.642 20 0 BDADLO CCc1[nH]ncc1C[N@H+](CC)CCC(=O)OC ZINC001237653511 980017521 /nfs/dbraw/zinc/01/75/21/980017521.db2.gz LEMXHYAOYIPAMY-UHFFFAOYSA-N 1 2 239.319 1.357 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)nc1 ZINC001237802841 980048562 /nfs/dbraw/zinc/04/85/62/980048562.db2.gz HFPNEAMKTRMGAP-OLZOCXBDSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)nc1 ZINC001237802841 980048577 /nfs/dbraw/zinc/04/85/77/980048577.db2.gz HFPNEAMKTRMGAP-OLZOCXBDSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@]3(CCO3)C2)nc1 ZINC001237807983 980052552 /nfs/dbraw/zinc/05/25/52/980052552.db2.gz LBCFPECBJGDIPU-CYBMUJFWSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@]3(CCO3)C2)nc1 ZINC001237807983 980052564 /nfs/dbraw/zinc/05/25/64/980052564.db2.gz LBCFPECBJGDIPU-CYBMUJFWSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nc(C[NH+]2CC3(C2)CCOC3)ccc1F ZINC001237814332 980067117 /nfs/dbraw/zinc/06/71/17/980067117.db2.gz PGDXYTXZLYADRC-UHFFFAOYSA-N 1 2 236.290 1.751 20 0 BDADLO COCC[NH+](CCOC)Cc1occc1OC ZINC001237863140 980099918 /nfs/dbraw/zinc/09/99/18/980099918.db2.gz KXDYGCXWQOFFDM-UHFFFAOYSA-N 1 2 243.303 1.383 20 0 BDADLO C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC001607418898 980102836 /nfs/dbraw/zinc/10/28/36/980102836.db2.gz BOSPARSOMUNANO-HHHUOAJASA-N 1 2 240.347 1.025 20 0 BDADLO COc1ccoc1CN1CCn2c[nH+]cc2C1 ZINC001237874216 980107949 /nfs/dbraw/zinc/10/79/49/980107949.db2.gz KANHDMCAZCYYGC-UHFFFAOYSA-N 1 2 233.271 1.501 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(O)ccc1C ZINC001238094781 980145961 /nfs/dbraw/zinc/14/59/61/980145961.db2.gz BFDUPACFQGMKOG-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(O)ccc1C ZINC001238094781 980145968 /nfs/dbraw/zinc/14/59/68/980145968.db2.gz BFDUPACFQGMKOG-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO Cc1c[nH]c(CCNC(=O)CC2(C)CCC2)[nH+]1 ZINC001185110310 980178832 /nfs/dbraw/zinc/17/88/32/980178832.db2.gz JBHJEDACJIFAJO-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO CCN(C(=O)[C@@H]1CCC(C)(C)C1)C1C[NH+](C)C1 ZINC001185167553 980186703 /nfs/dbraw/zinc/18/67/03/980186703.db2.gz LMJAFIPXWDVINM-LLVKDONJSA-N 1 2 238.375 1.975 20 0 BDADLO Cc1ncncc1C[N@@H+](C)Cc1cnn(C)c1 ZINC001238164242 980189963 /nfs/dbraw/zinc/18/99/63/980189963.db2.gz LNWBLXRYIKYDRN-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ncncc1C[N@H+](C)Cc1cnn(C)c1 ZINC001238164242 980189973 /nfs/dbraw/zinc/18/99/73/980189973.db2.gz LNWBLXRYIKYDRN-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cncnc1C ZINC001238173272 980204598 /nfs/dbraw/zinc/20/45/98/980204598.db2.gz MEVPSVGPPUPWER-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC001608530753 980222233 /nfs/dbraw/zinc/22/22/33/980222233.db2.gz DBOBMJWPRVNAJI-RYUDHWBXSA-N 1 2 249.314 1.383 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC001608530753 980222241 /nfs/dbraw/zinc/22/22/41/980222241.db2.gz DBOBMJWPRVNAJI-RYUDHWBXSA-N 1 2 249.314 1.383 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001608530751 980224180 /nfs/dbraw/zinc/22/41/80/980224180.db2.gz DBOBMJWPRVNAJI-NEPJUHHUSA-N 1 2 249.314 1.383 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001608530751 980224194 /nfs/dbraw/zinc/22/41/94/980224194.db2.gz DBOBMJWPRVNAJI-NEPJUHHUSA-N 1 2 249.314 1.383 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1C[C@@H]1F ZINC001343733555 980226298 /nfs/dbraw/zinc/22/62/98/980226298.db2.gz OASSPBWBDVDDTF-UWVGGRQHSA-N 1 2 226.251 1.254 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1c(F)ccnc1Cl ZINC001238225785 980227088 /nfs/dbraw/zinc/22/70/88/980227088.db2.gz UTWSSEYSXDLJBQ-MRVPVSSYSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1c(F)ccnc1Cl ZINC001238225785 980227097 /nfs/dbraw/zinc/22/70/97/980227097.db2.gz UTWSSEYSXDLJBQ-MRVPVSSYSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)C[C@@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001185461656 980230332 /nfs/dbraw/zinc/23/03/32/980230332.db2.gz BQJURUQZQJDHQW-KMHCFJFGSA-N 1 2 246.310 1.092 20 0 BDADLO CC(C)CCSCC(=O)NOC[C@H](C)[NH3+] ZINC001343800569 980248275 /nfs/dbraw/zinc/24/82/75/980248275.db2.gz YADZHPSINONLSV-VIFPVBQESA-N 1 2 234.365 1.161 20 0 BDADLO Cc1[nH+]cc(NC(=O)NC2CCCC2)n1C ZINC001185870650 980297782 /nfs/dbraw/zinc/29/77/82/980297782.db2.gz CCQILVLNBYQHMG-UHFFFAOYSA-N 1 2 222.292 1.793 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1(C)CC=CC1 ZINC001344121524 980351940 /nfs/dbraw/zinc/35/19/40/980351940.db2.gz KUINLTZVIXPFJS-UHFFFAOYSA-N 1 2 220.272 1.820 20 0 BDADLO C[C@H](CCO)Nc1cc(N)cc(Cl)[nH+]1 ZINC000154764113 980355297 /nfs/dbraw/zinc/35/52/97/980355297.db2.gz WFTIYCADROULTC-ZCFIWIBFSA-N 1 2 215.684 1.500 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1nc(C2CC2)c[nH]1)C(F)F ZINC001344397983 980387279 /nfs/dbraw/zinc/38/72/79/980387279.db2.gz BKFKFHUNIXWZCU-ZCFIWIBFSA-N 1 2 244.245 1.208 20 0 BDADLO CC1=CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001344491589 980406571 /nfs/dbraw/zinc/40/65/71/980406571.db2.gz XZXOMCRXYILOQU-LLVKDONJSA-N 1 2 219.288 1.623 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2CF)cn1 ZINC000334812318 980411553 /nfs/dbraw/zinc/41/15/53/980411553.db2.gz CWTSIDMHBDGVEV-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]2CF)cn1 ZINC000334812318 980411557 /nfs/dbraw/zinc/41/15/57/980411557.db2.gz CWTSIDMHBDGVEV-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO [NH3+][C@@H](CC(=O)NCC1(CC2CC2)CC1)C(F)F ZINC001344528932 980416576 /nfs/dbraw/zinc/41/65/76/980416576.db2.gz MRHNMFBYBWBFLQ-VIFPVBQESA-N 1 2 246.301 1.665 20 0 BDADLO Nc1[nH+]cccc1-c1cccc(CCO)c1 ZINC001239030717 980416555 /nfs/dbraw/zinc/41/65/55/980416555.db2.gz PYSXAJRQURYWNQ-UHFFFAOYSA-N 1 2 214.268 1.866 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\[C@H]1CCOC1 ZINC001344821347 980476772 /nfs/dbraw/zinc/47/67/72/980476772.db2.gz ACRHKJCPDZILKM-ZMWSMAPVSA-N 1 2 236.271 1.056 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001187585030 980532593 /nfs/dbraw/zinc/53/25/93/980532593.db2.gz XJUOGKGHXBTBKG-UHFFFAOYSA-N 1 2 241.241 1.400 20 0 BDADLO CNc1cc(CNc2nccnc2F)cc[nH+]1 ZINC001187685909 980537223 /nfs/dbraw/zinc/53/72/23/980537223.db2.gz GLDQOUUOVDOHCF-UHFFFAOYSA-N 1 2 233.250 1.665 20 0 BDADLO COc1ccccc1[C@H](C)C(=O)NC1C[NH+](C)C1 ZINC001187687038 980537476 /nfs/dbraw/zinc/53/74/76/980537476.db2.gz LXRLTYSRWDUISP-JTQLQIEISA-N 1 2 248.326 1.229 20 0 BDADLO CCc1ccccc1NC(=O)NC1C[NH+](C)C1 ZINC001187649684 980537590 /nfs/dbraw/zinc/53/75/90/980537590.db2.gz ZUKUNKCOWGWPGA-UHFFFAOYSA-N 1 2 233.315 1.685 20 0 BDADLO Cn1cccc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345329153 980602412 /nfs/dbraw/zinc/60/24/12/980602412.db2.gz GKWBVBZZTSUWEV-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccoc1 ZINC001345590300 980637653 /nfs/dbraw/zinc/63/76/53/980637653.db2.gz LXURDSOTYFECRB-UHFFFAOYSA-N 1 2 220.228 1.853 20 0 BDADLO Oc1cc(Cl)ccc1CC[NH+]1CCOCC1 ZINC001250276738 980651317 /nfs/dbraw/zinc/65/13/17/980651317.db2.gz NGNJBPRVISSNMW-UHFFFAOYSA-N 1 2 241.718 1.920 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2ccc(F)nc2)[nH+]1 ZINC001188656655 980679569 /nfs/dbraw/zinc/67/95/69/980679569.db2.gz LLGWHDGZSODNEO-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@H+]3C)C2)cs1 ZINC001273576184 980755796 /nfs/dbraw/zinc/75/57/96/980755796.db2.gz HFXMOOJPMDQMLW-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1cc(C(=O)N2CC3(CC[N@@H+]3C)C2)cs1 ZINC001273576184 980755800 /nfs/dbraw/zinc/75/58/00/980755800.db2.gz HFXMOOJPMDQMLW-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO COc1ncc(-c2cc[nH+]c(N)c2)cc1N ZINC001239636842 980825220 /nfs/dbraw/zinc/82/52/20/980825220.db2.gz MQXGKWHYTYKQKV-UHFFFAOYSA-N 1 2 216.244 1.317 20 0 BDADLO CCN(C)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190074369 980847076 /nfs/dbraw/zinc/84/70/76/980847076.db2.gz DZKYAMVMJYQSRQ-UHFFFAOYSA-N 1 2 229.283 1.964 20 0 BDADLO CCc1cn(COC(=O)CC(C)C)c[nH+]1 ZINC001190104945 980847433 /nfs/dbraw/zinc/84/74/33/980847433.db2.gz VTZIZCKATQHAQZ-UHFFFAOYSA-N 1 2 210.277 1.992 20 0 BDADLO C[C@H]1COCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001346661474 980878052 /nfs/dbraw/zinc/87/80/52/980878052.db2.gz CBSCVOTXWCNWOS-DTWKUNHWSA-N 1 2 225.292 1.271 20 0 BDADLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C1(C)CC1 ZINC001346689591 980886455 /nfs/dbraw/zinc/88/64/55/980886455.db2.gz YSFUYVGRDIFPLE-JTQLQIEISA-N 1 2 248.330 1.597 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001346823038 980916610 /nfs/dbraw/zinc/91/66/10/980916610.db2.gz LWCLVEWDUPVXLS-VXGBXAGGSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)n(C)n1 ZINC001346842552 980917938 /nfs/dbraw/zinc/91/79/38/980917938.db2.gz PZKSJZAJZBCYRK-ONGXEEELSA-N 1 2 246.318 1.116 20 0 BDADLO COC[C@@H]1CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001190977428 980955146 /nfs/dbraw/zinc/95/51/46/980955146.db2.gz RPDGBOIZVNDOIB-NXEZZACHSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@@H]1CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC001190977428 980955147 /nfs/dbraw/zinc/95/51/47/980955147.db2.gz RPDGBOIZVNDOIB-NXEZZACHSA-N 1 2 241.360 1.958 20 0 BDADLO Nc1cn2ccc(-c3ccc(N)nc3F)cc2[nH+]1 ZINC001239820947 980964813 /nfs/dbraw/zinc/96/48/13/980964813.db2.gz QDEUCTITTKINGK-UHFFFAOYSA-N 1 2 243.245 1.700 20 0 BDADLO Cc1c[nH]c(C(=O)Nc2cc[nH+]c3c2CCC3)n1 ZINC001191087082 980977774 /nfs/dbraw/zinc/97/77/74/980977774.db2.gz GTETYVVOUAUHKK-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)NC1CC1 ZINC001191439777 981034275 /nfs/dbraw/zinc/03/42/75/981034275.db2.gz DWLQYEXYLPUORU-UHFFFAOYSA-N 1 2 216.244 1.618 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=O)NC1CC1 ZINC001191473028 981038597 /nfs/dbraw/zinc/03/85/97/981038597.db2.gz LAPCQIZVSBNFJS-UHFFFAOYSA-N 1 2 222.292 1.077 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@](O)(C3CC3)C2)n[nH]1 ZINC001347450522 981080421 /nfs/dbraw/zinc/08/04/21/981080421.db2.gz ONDHGKSDRMGHTN-CYBMUJFWSA-N 1 2 235.331 1.455 20 0 BDADLO CC(C)Cc1ccc(C(=O)NC2C[NH+](C)C2)cc1 ZINC001192474751 981159762 /nfs/dbraw/zinc/15/97/62/981159762.db2.gz UPHNJGSMMQBAHC-UHFFFAOYSA-N 1 2 246.354 1.929 20 0 BDADLO CCn1nccc(-c2ccc3[nH+]ccn3c2)c1=O ZINC001240222085 981175910 /nfs/dbraw/zinc/17/59/10/981175910.db2.gz WYZIMXLRSWEKMA-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO CCCC[C@H](C)NC(=O)N(CC)C1C[NH+](C)C1 ZINC001193057160 981235800 /nfs/dbraw/zinc/23/58/00/981235800.db2.gz OSUHQGNIBMBSGG-NSHDSACASA-N 1 2 241.379 1.911 20 0 BDADLO COc1ccc(CN(C)c2cc(N)nc[nH+]2)cn1 ZINC001348052439 981264932 /nfs/dbraw/zinc/26/49/32/981264932.db2.gz OWZCAOOYIQPBLW-UHFFFAOYSA-N 1 2 245.286 1.099 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H]1C=CCC1 ZINC001348119406 981288629 /nfs/dbraw/zinc/28/86/29/981288629.db2.gz AWLPLUDLJCUVQB-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO CCc1ccc(N2CC[C@@](C)(C(N)=O)C2)[nH+]c1 ZINC001348137585 981295547 /nfs/dbraw/zinc/29/55/47/981295547.db2.gz NYDPBWQHXGKMHJ-CYBMUJFWSA-N 1 2 233.315 1.346 20 0 BDADLO Cc1c[nH]c(C)c1C(=O)NCCc1[nH+]ccn1C ZINC001193368800 981304430 /nfs/dbraw/zinc/30/44/30/981304430.db2.gz GSFDHBFGWADSKQ-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO CC(=O)NCc1cccc(-c2ccc[nH+]c2N)c1 ZINC001240349728 981308641 /nfs/dbraw/zinc/30/86/41/981308641.db2.gz NBTRNVZRIWCPSY-UHFFFAOYSA-N 1 2 241.294 1.967 20 0 BDADLO CN(C)c1ccnc(CNc2cc[nH+]c(N)n2)c1 ZINC001348324319 981336684 /nfs/dbraw/zinc/33/66/84/981336684.db2.gz WTYLKFNJEXFIHJ-UHFFFAOYSA-N 1 2 244.302 1.132 20 0 BDADLO C[S@](=O)[C@@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC001348361039 981345893 /nfs/dbraw/zinc/34/58/93/981345893.db2.gz ZXNVFSXDCUFJQY-WMFXKJRFSA-N 1 2 224.329 1.793 20 0 BDADLO C[C@H](C(=O)N[C@@]12C[C@@H]1COC2(C)C)n1cc[nH+]c1 ZINC001348395638 981353511 /nfs/dbraw/zinc/35/35/11/981353511.db2.gz BVVCNZBJHMBSAY-BREBYQMCSA-N 1 2 249.314 1.128 20 0 BDADLO C[C@@H](C(=O)NCC(=O)C1CCCC1)n1cc[nH+]c1 ZINC001348411748 981356612 /nfs/dbraw/zinc/35/66/12/981356612.db2.gz PKXYQVSKMBIPOO-JTQLQIEISA-N 1 2 249.314 1.320 20 0 BDADLO C[C@@H](C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC001348411595 981357280 /nfs/dbraw/zinc/35/72/80/981357280.db2.gz MKMRBWZHUVEJEM-FMSGJZPZSA-N 1 2 247.342 1.997 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC001193565437 981372579 /nfs/dbraw/zinc/37/25/79/981372579.db2.gz XZDWNWHDNSZZDB-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC001193565437 981372585 /nfs/dbraw/zinc/37/25/85/981372585.db2.gz XZDWNWHDNSZZDB-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO CCN(C(=O)OC1CCCC1)C1C[NH+](C)C1 ZINC001193554484 981379920 /nfs/dbraw/zinc/37/99/20/981379920.db2.gz WUDXWNOYSRALPG-UHFFFAOYSA-N 1 2 226.320 1.702 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCC[C@@H]1CCOC1 ZINC001348574703 981398086 /nfs/dbraw/zinc/39/80/86/981398086.db2.gz UAVLYITUZGZSOH-NSHDSACASA-N 1 2 249.314 1.549 20 0 BDADLO CC[C@@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001348626822 981410898 /nfs/dbraw/zinc/41/08/98/981410898.db2.gz QSFYSXNFUITLCH-SNVBAGLBSA-N 1 2 224.304 1.942 20 0 BDADLO COc1cnnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240495971 981415456 /nfs/dbraw/zinc/41/54/56/981415456.db2.gz DRPBENSLRYFRSN-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO COc1nc(-c2ccn3cc[nH+]c3c2)ncc1F ZINC001240496255 981418349 /nfs/dbraw/zinc/41/83/49/981418349.db2.gz KAJLRBFLEGXZNV-UHFFFAOYSA-N 1 2 244.229 1.939 20 0 BDADLO COc1ccnc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496539 981418730 /nfs/dbraw/zinc/41/87/30/981418730.db2.gz NGEFEUHOVRRPOO-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Cn1ccc(-c2ccn3cc[nH+]c3c2)cc1=O ZINC001240502988 981430113 /nfs/dbraw/zinc/43/01/13/981430113.db2.gz DPKHZWPKJJVCBQ-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO c1cn2ccc(-c3cnc4ncnn4c3)cc2[nH+]1 ZINC001240510330 981432968 /nfs/dbraw/zinc/43/29/68/981432968.db2.gz HYJJBYLUOGVKNC-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO COc1ncncc1-c1ccn2cc[nH+]c2c1 ZINC001240510108 981433525 /nfs/dbraw/zinc/43/35/25/981433525.db2.gz BLIAMKJGGZERJX-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO CCn1nccc(-c2ccn3cc[nH+]c3c2)c1=O ZINC001240513131 981438424 /nfs/dbraw/zinc/43/84/24/981438424.db2.gz IMCOQQQMSLAHNX-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO Cc1n[nH]cc1-c1ccn2cc(N)[nH+]c2c1 ZINC001240519208 981448961 /nfs/dbraw/zinc/44/89/61/981448961.db2.gz ZNPWTCIVMVHVMC-UHFFFAOYSA-N 1 2 213.244 1.615 20 0 BDADLO CNC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001240566537 981481873 /nfs/dbraw/zinc/48/18/73/981481873.db2.gz DASIKZPMUZQVHL-UHFFFAOYSA-N 1 2 227.267 1.690 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@]1(C)CC1(C)C ZINC001349158389 981514048 /nfs/dbraw/zinc/51/40/48/981514048.db2.gz QYBMZCGGTHFVDM-AWEZNQCLSA-N 1 2 249.358 1.905 20 0 BDADLO COCCn1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240626506 981518706 /nfs/dbraw/zinc/51/87/06/981518706.db2.gz NGXLSTKWQIBVNC-UHFFFAOYSA-N 1 2 242.282 1.844 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001349410109 981550820 /nfs/dbraw/zinc/55/08/20/981550820.db2.gz MWXBGHRXRYUGJL-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)Cn1nccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001349410109 981550825 /nfs/dbraw/zinc/55/08/25/981550825.db2.gz MWXBGHRXRYUGJL-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC(C1CC1)C1CC1 ZINC001349537907 981574432 /nfs/dbraw/zinc/57/44/32/981574432.db2.gz KKWCPWIETRBIQU-UHFFFAOYSA-N 1 2 247.342 1.863 20 0 BDADLO CC(C)(O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001240667442 981577572 /nfs/dbraw/zinc/57/75/72/981577572.db2.gz UWYMIQFZLBFYPI-UHFFFAOYSA-N 1 2 229.283 1.953 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001194143264 981595367 /nfs/dbraw/zinc/59/53/67/981595367.db2.gz MITZGIRBEYOYSY-SNVBAGLBSA-N 1 2 232.299 1.557 20 0 BDADLO CCCOC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001194143264 981595372 /nfs/dbraw/zinc/59/53/72/981595372.db2.gz MITZGIRBEYOYSY-SNVBAGLBSA-N 1 2 232.299 1.557 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccn1C1CC1 ZINC001349624219 981598581 /nfs/dbraw/zinc/59/85/81/981598581.db2.gz HXKOKLDOJFYNMQ-UHFFFAOYSA-N 1 2 232.287 1.804 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@H]1CCOC1 ZINC001349676322 981639141 /nfs/dbraw/zinc/63/91/41/981639141.db2.gz MAGLZFIDVLBQNP-NSHDSACASA-N 1 2 223.320 1.577 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@H]1CCOC1 ZINC001349676322 981639154 /nfs/dbraw/zinc/63/91/54/981639154.db2.gz MAGLZFIDVLBQNP-NSHDSACASA-N 1 2 223.320 1.577 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@H]1CCCO1 ZINC001349790973 981746015 /nfs/dbraw/zinc/74/60/15/981746015.db2.gz CIJCVVAHEKIASL-FOQNGQEVSA-N 1 2 246.310 1.794 20 0 BDADLO O=C1[C@@H]([N@@H+]2Cc3cccnc3C2)CCN1C1CC1 ZINC001325933550 981810206 /nfs/dbraw/zinc/81/02/06/981810206.db2.gz IUIOZOQKDSANMY-ZDUSSCGKSA-N 1 2 243.310 1.161 20 0 BDADLO O=C1[C@@H]([N@H+]2Cc3cccnc3C2)CCN1C1CC1 ZINC001325933550 981810210 /nfs/dbraw/zinc/81/02/10/981810210.db2.gz IUIOZOQKDSANMY-ZDUSSCGKSA-N 1 2 243.310 1.161 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[C@H]2C1 ZINC001350091798 981868237 /nfs/dbraw/zinc/86/82/37/981868237.db2.gz SNNQDDOIQPZQJY-QWRGUYRKSA-N 1 2 233.315 1.221 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)oc1C ZINC001584992095 981896611 /nfs/dbraw/zinc/89/66/11/981896611.db2.gz IQNNNVBNLGDSLQ-NSHDSACASA-N 1 2 249.314 1.857 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)oc1C ZINC001584992095 981896616 /nfs/dbraw/zinc/89/66/16/981896616.db2.gz IQNNNVBNLGDSLQ-NSHDSACASA-N 1 2 249.314 1.857 20 0 BDADLO CC[C@H](C)COC(=O)NCCc1cn(C)c[nH+]1 ZINC001194811560 981910739 /nfs/dbraw/zinc/91/07/39/981910739.db2.gz MZXLQXNXTREQPC-JTQLQIEISA-N 1 2 239.319 1.735 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1CC(F)(F)C1 ZINC001350488050 981983193 /nfs/dbraw/zinc/98/31/93/981983193.db2.gz HIWWNBXARXLHNS-UHFFFAOYSA-N 1 2 243.257 1.124 20 0 BDADLO CCCc1cc(NC(=O)Cc2[nH]c[nH+]c2C)n[nH]1 ZINC001586420771 981994253 /nfs/dbraw/zinc/99/42/53/981994253.db2.gz MXJGYVXBRZCDIU-UHFFFAOYSA-N 1 2 247.302 1.575 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C(C)C)C1 ZINC001587964077 982103437 /nfs/dbraw/zinc/10/34/37/982103437.db2.gz PJJANRDLAFCDAL-LLVKDONJSA-N 1 2 235.331 1.765 20 0 BDADLO C[C@@H](c1nc(-c2ccc[nH]c2=O)no1)[NH+](C)C ZINC001350857096 982105133 /nfs/dbraw/zinc/10/51/33/982105133.db2.gz CVBGWNRSKYXDMY-ZETCQYMHSA-N 1 2 234.259 1.460 20 0 BDADLO CC(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001350981878 982148167 /nfs/dbraw/zinc/14/81/67/982148167.db2.gz CQWAKZBEXWSTMJ-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CC(F)F ZINC001351036428 982180468 /nfs/dbraw/zinc/18/04/68/982180468.db2.gz ZDOALOKWHIKSDV-SSDOTTSWSA-N 1 2 231.246 1.360 20 0 BDADLO CCNC(=S)NCc1ccc2[nH+]ccn2c1 ZINC001195374846 982228356 /nfs/dbraw/zinc/22/83/56/982228356.db2.gz VZVUBUDZMQGLAQ-UHFFFAOYSA-N 1 2 234.328 1.318 20 0 BDADLO Nc1cc(-c2cnc3ncoc3c2)cc[nH+]1 ZINC001241161985 982299667 /nfs/dbraw/zinc/29/96/67/982299667.db2.gz DMMYPSBDDRHIOR-UHFFFAOYSA-N 1 2 212.212 1.867 20 0 BDADLO Cn1c2ccc(-c3cc[nH+]c(N)c3)cc2oc1=O ZINC001241163187 982303079 /nfs/dbraw/zinc/30/30/79/982303079.db2.gz PZERFHHCBAXWKK-UHFFFAOYSA-N 1 2 241.250 1.776 20 0 BDADLO Cc1cc(-c2cc[nH+]c(N)c2)cn(C)c1=O ZINC001241170650 982318382 /nfs/dbraw/zinc/31/83/82/982318382.db2.gz UWFWSTHBRLLYOX-UHFFFAOYSA-N 1 2 215.256 1.338 20 0 BDADLO Nc1cc(-c2cccc3c2NC(=O)CO3)cc[nH+]1 ZINC001241170100 982318847 /nfs/dbraw/zinc/31/88/47/982318847.db2.gz IUNMMBGWISDTHA-UHFFFAOYSA-N 1 2 241.250 1.662 20 0 BDADLO CCNc1cc(CNC(=O)N2CCC2)cc[nH+]1 ZINC001351453764 982319541 /nfs/dbraw/zinc/31/95/41/982319541.db2.gz CGOJGFVWKGDVLX-UHFFFAOYSA-N 1 2 234.303 1.429 20 0 BDADLO Cc1nnc(C[NH+]2CCC(c3ncco3)CC2)o1 ZINC001351572293 982332587 /nfs/dbraw/zinc/33/25/87/982332587.db2.gz XHKUATIIEQVYDY-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO CCN(C[C@@H]1CCOC1)c1nccn2c[nH+]cc12 ZINC001351996861 982429841 /nfs/dbraw/zinc/42/98/41/982429841.db2.gz FHEWXHDZJPLPFU-NSHDSACASA-N 1 2 246.314 1.592 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCCC12CC2)n1cc[nH+]c1 ZINC001352011325 982435328 /nfs/dbraw/zinc/43/53/28/982435328.db2.gz WGOBZMBYOVPOGE-WDEREUQCSA-N 1 2 233.315 1.893 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)C1(CO)CC1 ZINC001352063435 982452712 /nfs/dbraw/zinc/45/27/12/982452712.db2.gz AFBKNPBSYLPGCL-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)C1(CO)CC1 ZINC001352063435 982452719 /nfs/dbraw/zinc/45/27/19/982452719.db2.gz AFBKNPBSYLPGCL-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1ncccn1)C1CCC1 ZINC001197303824 982546988 /nfs/dbraw/zinc/54/69/88/982546988.db2.gz HDUASRGZMHNILN-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1ncccn1)C1CCC1 ZINC001197303824 982546995 /nfs/dbraw/zinc/54/69/95/982546995.db2.gz HDUASRGZMHNILN-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO Cc1[nH]c([C@H]2CCCN2CC2=NOCC2)[nH+]c1C ZINC001197710507 982585295 /nfs/dbraw/zinc/58/52/95/982585295.db2.gz KHXAVOKVBPFOQI-GFCCVEGCSA-N 1 2 248.330 1.940 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@H+](C[C@H]2CCCCO2)C1 ZINC001197785145 982595454 /nfs/dbraw/zinc/59/54/54/982595454.db2.gz BHANXGITTBSRRF-DGCLKSJQSA-N 1 2 249.358 1.973 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@]1(C)C=CCC1 ZINC001352887754 982611855 /nfs/dbraw/zinc/61/18/55/982611855.db2.gz RSJUDGVXUFLTBA-ZDUSSCGKSA-N 1 2 233.315 1.435 20 0 BDADLO Cc1nc(N)ncc1-c1ccc[nH+]c1N ZINC001241644327 982883642 /nfs/dbraw/zinc/88/36/42/982883642.db2.gz GDXCMDTVAOHAAR-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001203926833 982892416 /nfs/dbraw/zinc/89/24/16/982892416.db2.gz AECIBHRPNZEJQN-OKILXGFUSA-N 1 2 246.310 1.618 20 0 BDADLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001203926833 982892418 /nfs/dbraw/zinc/89/24/18/982892418.db2.gz AECIBHRPNZEJQN-OKILXGFUSA-N 1 2 246.310 1.618 20 0 BDADLO Cc1conc1C[NH2+]C/C=C\CNC(=O)C1CC1 ZINC001273797711 983049361 /nfs/dbraw/zinc/04/93/61/983049361.db2.gz DLMURXXCRAELLD-IHWYPQMZSA-N 1 2 249.314 1.155 20 0 BDADLO O=C([C@H]1C[C@@H]1F)N1CCN(c2cccc[nH+]2)CC1 ZINC001354071697 983139323 /nfs/dbraw/zinc/13/93/23/983139323.db2.gz UKHXMIOMLLEEJV-QWRGUYRKSA-N 1 2 249.289 1.088 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H](F)C1 ZINC001354084065 983146081 /nfs/dbraw/zinc/14/60/81/983146081.db2.gz VLKGUPKKPDZRPG-DTWKUNHWSA-N 1 2 225.267 1.349 20 0 BDADLO Cn1cnc2c1ncnc2Nc1ccc(N)[nH+]c1 ZINC001201279718 983157416 /nfs/dbraw/zinc/15/74/16/983157416.db2.gz YZQKYDVERXTPAJ-UHFFFAOYSA-N 1 2 241.258 1.084 20 0 BDADLO Cc1cc(F)cc(N2CCC(C)(O)CC2)[nH+]1 ZINC001354130728 983168039 /nfs/dbraw/zinc/16/80/39/983168039.db2.gz DJURVVMHAGCLGF-UHFFFAOYSA-N 1 2 224.279 1.880 20 0 BDADLO Nc1cc(N2CCOC3(CCCC3)C2)[nH+]cn1 ZINC001354131761 983169522 /nfs/dbraw/zinc/16/95/22/983169522.db2.gz LHYZTOMWDASXOJ-UHFFFAOYSA-N 1 2 234.303 1.208 20 0 BDADLO CCn1cc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201271855 983173042 /nfs/dbraw/zinc/17/30/42/983173042.db2.gz FQHXVYPPKUIALL-UHFFFAOYSA-N 1 2 203.249 1.624 20 0 BDADLO Cc1cc(Nc2ccc(N)[nH+]c2)nc(C)n1 ZINC001201271279 983173706 /nfs/dbraw/zinc/17/37/06/983173706.db2.gz FPHQYFDYVZZMTB-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO Nc1ccc(Nc2cnc3c(c2)COCC3)c[nH+]1 ZINC001201272067 983173781 /nfs/dbraw/zinc/17/37/81/983173781.db2.gz HLJKOPAGMAWSQB-UHFFFAOYSA-N 1 2 242.282 1.875 20 0 BDADLO Nc1ccc(Nc2ccc[nH]c2=O)c[nH+]1 ZINC001201272885 983174944 /nfs/dbraw/zinc/17/49/44/983174944.db2.gz VRMUZWKEZIZUJU-UHFFFAOYSA-N 1 2 202.217 1.508 20 0 BDADLO Nc1ccc(Nc2ccc(Cl)nn2)c[nH+]1 ZINC001201272992 983175793 /nfs/dbraw/zinc/17/57/93/983175793.db2.gz YIKUPUUYOUOILU-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO Cc1ccc(Nc2ccc(N)[nH+]c2)c(C(N)=O)c1 ZINC001201293239 983175975 /nfs/dbraw/zinc/17/59/75/983175975.db2.gz YTAUMMHDLVLCIE-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO CC(=O)N1CC=C(c2nc3[nH]ccc3c[nH+]2)CC1 ZINC001241967233 983176052 /nfs/dbraw/zinc/17/60/52/983176052.db2.gz QQVKYDIYERBTOK-UHFFFAOYSA-N 1 2 242.282 1.545 20 0 BDADLO Nc1cc(N2CCOC[C@@H](C3CCC3)C2)[nH+]cn1 ZINC001354199943 983192809 /nfs/dbraw/zinc/19/28/09/983192809.db2.gz SIDSYARZXBWQPF-NSHDSACASA-N 1 2 248.330 1.312 20 0 BDADLO C[C@H]1Oc2ccc(-c3[nH]cc[nH+]3)cc2NC1=O ZINC001242015704 983215341 /nfs/dbraw/zinc/21/53/41/983215341.db2.gz LVLHRHSUFLVDBB-SSDOTTSWSA-N 1 2 229.239 1.796 20 0 BDADLO COc1ccncc1-c1ccn2cc(N)[nH+]c2c1 ZINC001242057316 983265397 /nfs/dbraw/zinc/26/53/97/983265397.db2.gz OYINFESZBTYMBR-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO COC(=O)c1cnc(-c2c[nH+]c(N)cc2C)nc1 ZINC001242070905 983304531 /nfs/dbraw/zinc/30/45/31/983304531.db2.gz PBFXYJDXKOBXSY-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nnc2ccccc2n1 ZINC001242077677 983324905 /nfs/dbraw/zinc/32/49/05/983324905.db2.gz HZPVPGJTFOSHBI-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc(CF)cn1 ZINC001242078331 983326899 /nfs/dbraw/zinc/32/68/99/983326899.db2.gz YOPOKJSGOUYWEL-UHFFFAOYSA-N 1 2 218.235 1.899 20 0 BDADLO CC[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001201582931 983345260 /nfs/dbraw/zinc/34/52/60/983345260.db2.gz LDBLIIGZQLHQBJ-DTWKUNHWSA-N 1 2 232.299 1.553 20 0 BDADLO CC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001201582931 983345269 /nfs/dbraw/zinc/34/52/69/983345269.db2.gz LDBLIIGZQLHQBJ-DTWKUNHWSA-N 1 2 232.299 1.553 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)o1 ZINC001355113418 983417877 /nfs/dbraw/zinc/41/78/77/983417877.db2.gz ANLTWPAIPGXOHT-NSHDSACASA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)o1 ZINC001355113418 983417883 /nfs/dbraw/zinc/41/78/83/983417883.db2.gz ANLTWPAIPGXOHT-NSHDSACASA-N 1 2 249.314 1.938 20 0 BDADLO CCC1(CC(=O)N2CCn3c[nH+]cc3C2)COC1 ZINC001355303487 983464190 /nfs/dbraw/zinc/46/41/90/983464190.db2.gz YVVGIVVNLYIDBB-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ocnc1C ZINC001355371463 983479507 /nfs/dbraw/zinc/47/95/07/983479507.db2.gz ZOFXXGSSDIZKAW-UHFFFAOYSA-N 1 2 236.275 1.015 20 0 BDADLO O=C1C[N@@H+](CC2CC2)CCN1c1ccc(F)cc1 ZINC001201951279 983521693 /nfs/dbraw/zinc/52/16/93/983521693.db2.gz ABCCRLJARPHQQI-UHFFFAOYSA-N 1 2 248.301 1.884 20 0 BDADLO O=C1C[N@H+](CC2CC2)CCN1c1ccc(F)cc1 ZINC001201951279 983521716 /nfs/dbraw/zinc/52/17/16/983521716.db2.gz ABCCRLJARPHQQI-UHFFFAOYSA-N 1 2 248.301 1.884 20 0 BDADLO FC(F)(F)CC[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001202367929 983639379 /nfs/dbraw/zinc/63/93/79/983639379.db2.gz HFFMZEJLUAHPPY-HTQZYQBOSA-N 1 2 209.211 1.802 20 0 BDADLO FC(F)(F)CC[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001202367929 983639386 /nfs/dbraw/zinc/63/93/86/983639386.db2.gz HFFMZEJLUAHPPY-HTQZYQBOSA-N 1 2 209.211 1.802 20 0 BDADLO COC[C@H]1COCC[N@@H+]1CCCC(F)(F)F ZINC001202441365 983659498 /nfs/dbraw/zinc/65/94/98/983659498.db2.gz CAKAFIAKLKXYGK-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO COC[C@H]1COCC[N@H+]1CCCC(F)(F)F ZINC001202441365 983659506 /nfs/dbraw/zinc/65/95/06/983659506.db2.gz CAKAFIAKLKXYGK-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CCOC1 ZINC001202464870 983669618 /nfs/dbraw/zinc/66/96/18/983669618.db2.gz POKDHFQUYUPQET-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CCOC1 ZINC001202464870 983669625 /nfs/dbraw/zinc/66/96/25/983669625.db2.gz POKDHFQUYUPQET-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO COc1cc(C)[nH+]cc1-c1ccn(C)n1 ZINC001242460382 983780045 /nfs/dbraw/zinc/78/00/45/983780045.db2.gz LGHWETMZAHWGOB-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO Nc1cn2ccc(-c3cncc(N)c3)cc2[nH+]1 ZINC001242498815 983819259 /nfs/dbraw/zinc/81/92/59/983819259.db2.gz GLZIBKOKPGXLGA-UHFFFAOYSA-N 1 2 225.255 1.561 20 0 BDADLO Cc1oncc1-c1cc(N2CCOCC2)cc[nH+]1 ZINC001242601083 983940581 /nfs/dbraw/zinc/94/05/81/983940581.db2.gz VVDZALCBWMZGBT-UHFFFAOYSA-N 1 2 245.282 1.882 20 0 BDADLO CCNC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001202548274 983981174 /nfs/dbraw/zinc/98/11/74/983981174.db2.gz RHTLHQGEACTMMJ-UHFFFAOYSA-N 1 2 247.289 1.131 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2cc(C)cs2)C1 ZINC001137157143 983999590 /nfs/dbraw/zinc/99/95/90/983999590.db2.gz MPACMABCSLROLU-UHFFFAOYSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1csc(C[N@H+]2CC(=O)NC[C@H]2C)c1 ZINC001137158414 984003724 /nfs/dbraw/zinc/00/37/24/984003724.db2.gz RCBMMLPGEDTQSA-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1csc(C[N@@H+]2CC(=O)NC[C@H]2C)c1 ZINC001137158414 984003738 /nfs/dbraw/zinc/00/37/38/984003738.db2.gz RCBMMLPGEDTQSA-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc(N2CCC2)nc1 ZINC001242703848 984055369 /nfs/dbraw/zinc/05/53/69/984055369.db2.gz ZFEHGNLNUPACTN-GITWZZJBSA-N 1 2 216.288 1.562 20 0 BDADLO CCCNC(=O)Nc1cccc2[nH+]ccn21 ZINC001202580618 984087695 /nfs/dbraw/zinc/08/76/95/984087695.db2.gz YWGABHJNZUZZAI-UHFFFAOYSA-N 1 2 218.260 1.866 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2cc(F)ccc2F)C1 ZINC001202662267 984153362 /nfs/dbraw/zinc/15/33/62/984153362.db2.gz HGSKGMLOWOBJDU-UHFFFAOYSA-N 1 2 241.241 1.400 20 0 BDADLO Cc1c(F)nccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274153214 984269024 /nfs/dbraw/zinc/26/90/24/984269024.db2.gz KIQRXLFGDFCHQO-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1c(F)nccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274153214 984269037 /nfs/dbraw/zinc/26/90/37/984269037.db2.gz KIQRXLFGDFCHQO-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO C/C=C(\CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001436620120 984335334 /nfs/dbraw/zinc/33/53/34/984335334.db2.gz RQZXTLPSLKSBRA-ONNFQVAWSA-N 1 2 221.304 1.435 20 0 BDADLO Cc1sccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274403293 984339299 /nfs/dbraw/zinc/33/92/99/984339299.db2.gz QSWYFJRITSEGGO-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1sccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274403293 984339306 /nfs/dbraw/zinc/33/93/06/984339306.db2.gz QSWYFJRITSEGGO-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1c(CO)cccc1-c1c[nH+]cn1C ZINC001243015118 984372408 /nfs/dbraw/zinc/37/24/08/984372408.db2.gz RIWVMNWMLCEFHO-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Nc1ccc(C2=CCN(C(=O)C3CC3)CC2)c[nH+]1 ZINC001243028882 984377329 /nfs/dbraw/zinc/37/73/29/984377329.db2.gz DAHZWFVOQQBUBI-UHFFFAOYSA-N 1 2 243.310 1.690 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC001440734301 984435904 /nfs/dbraw/zinc/43/59/04/984435904.db2.gz ALWMHVCIBLFCDX-LLVKDONJSA-N 1 2 240.253 1.998 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC001440734301 984435918 /nfs/dbraw/zinc/43/59/18/984435918.db2.gz ALWMHVCIBLFCDX-LLVKDONJSA-N 1 2 240.253 1.998 20 0 BDADLO Cc1c(O)cccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001275000544 984437263 /nfs/dbraw/zinc/43/72/63/984437263.db2.gz ZZVCYSSQFGOQAM-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1c(O)cccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001275000544 984437287 /nfs/dbraw/zinc/43/72/87/984437287.db2.gz ZZVCYSSQFGOQAM-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1c(C(N)=O)cccc1-c1c[nH+]cn1C ZINC001243066995 984480360 /nfs/dbraw/zinc/48/03/60/984480360.db2.gz FXOSJCLHNNGVOC-UHFFFAOYSA-N 1 2 215.256 1.494 20 0 BDADLO Cn1cnc2cc(-c3c[nH+]cn3C)ccc21 ZINC001243068848 984486362 /nfs/dbraw/zinc/48/63/62/984486362.db2.gz ILIWUFGKRPHBNP-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO Cc1c(-c2c[nH+]cn2C)ccc2ncnn21 ZINC001243069019 984487924 /nfs/dbraw/zinc/48/79/24/984487924.db2.gz MTBPIUHYJQPPJS-UHFFFAOYSA-N 1 2 213.244 1.438 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2ncoc(=O)c2c1 ZINC001243069710 984491500 /nfs/dbraw/zinc/49/15/00/984491500.db2.gz WYIREUMSSHITJA-UHFFFAOYSA-N 1 2 227.223 1.589 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(=O)N(C)CC2 ZINC001243070672 984491681 /nfs/dbraw/zinc/49/16/81/984491681.db2.gz VYAHDKPERHZCIN-UHFFFAOYSA-N 1 2 241.294 1.715 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@]2(C)CC2(F)F)c1 ZINC001275174594 984511057 /nfs/dbraw/zinc/51/10/57/984511057.db2.gz QVENBEBHAUXLOG-JTQLQIEISA-N 1 2 243.257 1.124 20 0 BDADLO CC(=O)N[C@H](C)C[N@H+](C)Cc1csc(C)n1 ZINC001275487767 984579498 /nfs/dbraw/zinc/57/94/98/984579498.db2.gz MIABMKVBSSOPQU-MRVPVSSYSA-N 1 2 241.360 1.408 20 0 BDADLO CC(=O)N[C@H](C)C[N@@H+](C)Cc1csc(C)n1 ZINC001275487767 984579506 /nfs/dbraw/zinc/57/95/06/984579506.db2.gz MIABMKVBSSOPQU-MRVPVSSYSA-N 1 2 241.360 1.408 20 0 BDADLO COc1ccc(-c2cc[nH+]c(N)c2)c(CO)c1 ZINC001243248607 984802858 /nfs/dbraw/zinc/80/28/58/984802858.db2.gz LMHVXYPMOISNFV-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)CC1 ZINC001095452195 984813738 /nfs/dbraw/zinc/81/37/38/984813738.db2.gz OOEQOZNZAZLRAC-VWYCJHECSA-N 1 2 240.322 1.478 20 0 BDADLO CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)CC1 ZINC001095452195 984813740 /nfs/dbraw/zinc/81/37/40/984813740.db2.gz OOEQOZNZAZLRAC-VWYCJHECSA-N 1 2 240.322 1.478 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc2c1CCO2 ZINC001448869439 984821813 /nfs/dbraw/zinc/82/18/13/984821813.db2.gz HNXPCJUMAYOSOX-LBPRGKRZSA-N 1 2 246.310 1.654 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc2c1CCO2 ZINC001448869439 984821815 /nfs/dbraw/zinc/82/18/15/984821815.db2.gz HNXPCJUMAYOSOX-LBPRGKRZSA-N 1 2 246.310 1.654 20 0 BDADLO CS[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001278362642 984828767 /nfs/dbraw/zinc/82/87/67/984828767.db2.gz GJCNNAMHHIDJAC-KOLCDFICSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001278362642 984828769 /nfs/dbraw/zinc/82/87/69/984828769.db2.gz GJCNNAMHHIDJAC-KOLCDFICSA-N 1 2 248.367 1.288 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCC(F)(F)F ZINC001449394938 984834983 /nfs/dbraw/zinc/83/49/83/984834983.db2.gz WQXSFDDKYCHGKZ-UHFFFAOYSA-N 1 2 249.236 1.719 20 0 BDADLO Cc1nc(N2CC[C@@H]3[C@H](C2)C3(F)F)cc[nH+]1 ZINC001458435192 984844789 /nfs/dbraw/zinc/84/47/89/984844789.db2.gz XYZRLGFVNDELAZ-BDAKNGLRSA-N 1 2 225.242 1.876 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccsc2)C[C@H]1F ZINC000886023852 984878362 /nfs/dbraw/zinc/87/83/62/984878362.db2.gz XAJJNJFBFPTKGE-ZJUUUORDSA-N 1 2 215.293 1.653 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1F ZINC000886023852 984878364 /nfs/dbraw/zinc/87/83/64/984878364.db2.gz XAJJNJFBFPTKGE-ZJUUUORDSA-N 1 2 215.293 1.653 20 0 BDADLO O=c1cc(-c2cc[nH+]c3c2CCN3)cc[nH]1 ZINC001243430475 984937149 /nfs/dbraw/zinc/93/71/49/984937149.db2.gz SEHASSVSBNYPNQ-UHFFFAOYSA-N 1 2 213.240 1.817 20 0 BDADLO CNc1cc(N2CCC[C@H](OC)CC2)nc[nH+]1 ZINC000691957133 984993891 /nfs/dbraw/zinc/99/38/91/984993891.db2.gz TYAZEXBEJGWJFL-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2CCC[C@H](OC)CC2)[nH+]cn1 ZINC000691957133 984993902 /nfs/dbraw/zinc/99/39/02/984993902.db2.gz TYAZEXBEJGWJFL-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2nccnc2c1 ZINC001243474100 985024707 /nfs/dbraw/zinc/02/47/07/985024707.db2.gz JMEWSULCYMIVPG-UHFFFAOYSA-N 1 2 223.239 1.669 20 0 BDADLO CN1Cc2cc(-c3ccc[nH+]c3N)cnc2C1=O ZINC001243474103 985026441 /nfs/dbraw/zinc/02/64/41/985026441.db2.gz JTKYKFWJZFCWHU-UHFFFAOYSA-N 1 2 240.266 1.311 20 0 BDADLO CC(C)c1cnc(C[N@H+](CCO)C2CC2)o1 ZINC000686011642 985037734 /nfs/dbraw/zinc/03/77/34/985037734.db2.gz XUFSYKLGBNQHSL-UHFFFAOYSA-N 1 2 224.304 1.755 20 0 BDADLO CC(C)c1cnc(C[N@@H+](CCO)C2CC2)o1 ZINC000686011642 985037749 /nfs/dbraw/zinc/03/77/49/985037749.db2.gz XUFSYKLGBNQHSL-UHFFFAOYSA-N 1 2 224.304 1.755 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cncc(N(C)C)c1 ZINC001454603098 985040699 /nfs/dbraw/zinc/04/06/99/985040699.db2.gz ISEFNRNYLBQXIH-GFCCVEGCSA-N 1 2 248.330 1.180 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cncc(N(C)C)c1 ZINC001454603098 985040712 /nfs/dbraw/zinc/04/07/12/985040712.db2.gz ISEFNRNYLBQXIH-GFCCVEGCSA-N 1 2 248.330 1.180 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(F)c1O ZINC001454774945 985047033 /nfs/dbraw/zinc/04/70/33/985047033.db2.gz UJYLKJPOOFMBDS-UHFFFAOYSA-N 1 2 249.245 1.744 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H](O)C(C)C)[nH+]1 ZINC001456345535 985134514 /nfs/dbraw/zinc/13/45/14/985134514.db2.gz QDCILLGEAZMAIG-JTQLQIEISA-N 1 2 239.319 1.166 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H](O)C(C)C)c[nH+]1 ZINC001456345535 985134521 /nfs/dbraw/zinc/13/45/21/985134521.db2.gz QDCILLGEAZMAIG-JTQLQIEISA-N 1 2 239.319 1.166 20 0 BDADLO Cn1c2ccncc2nc1NCCn1cc[nH+]c1 ZINC000686558124 985135641 /nfs/dbraw/zinc/13/56/41/985135641.db2.gz QDBMNKRKWJAVJU-UHFFFAOYSA-N 1 2 242.286 1.277 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1cc(F)c[nH]1 ZINC001457512178 985215630 /nfs/dbraw/zinc/21/56/30/985215630.db2.gz VNIXOUQQTYFUKL-UHFFFAOYSA-N 1 2 248.261 1.391 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000687821432 985400002 /nfs/dbraw/zinc/40/00/02/985400002.db2.gz VJELCXZYJUBDQL-VIFPVBQESA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC000687821432 985400012 /nfs/dbraw/zinc/40/00/12/985400012.db2.gz VJELCXZYJUBDQL-VIFPVBQESA-N 1 2 227.333 1.273 20 0 BDADLO Cc1[nH]c(CN(CC(N)=O)C(C)(C)C)[nH+]c1C ZINC001459691709 985591027 /nfs/dbraw/zinc/59/10/27/985591027.db2.gz YHDZTCNXHWVMMG-UHFFFAOYSA-N 1 2 238.335 1.112 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H](C)CCSC)CC1 ZINC001258201525 985609801 /nfs/dbraw/zinc/60/98/01/985609801.db2.gz DCPAKDMXJHXTDP-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO CON(C)C(=O)c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243947121 985624318 /nfs/dbraw/zinc/62/43/18/985624318.db2.gz DPZHNNLKGPHDCJ-UHFFFAOYSA-N 1 2 247.298 1.439 20 0 BDADLO Cn1cnc2c1ccnc2C1=C[NH2+]CCC1 ZINC001243947565 985625650 /nfs/dbraw/zinc/62/56/50/985625650.db2.gz LTMXVLMKYBFXDF-UHFFFAOYSA-N 1 2 214.272 1.693 20 0 BDADLO Cc1cn(-c2cc(C3=C[NH2+]CCC3)ncn2)cn1 ZINC001243949450 985635563 /nfs/dbraw/zinc/63/55/63/985635563.db2.gz LSSMLBSUZZIVQD-UHFFFAOYSA-N 1 2 241.298 1.695 20 0 BDADLO C[C@H]1C(=O)Nc2ncnc(C3=C[NH2+]CCC3)c21 ZINC001243950145 985645613 /nfs/dbraw/zinc/64/56/13/985645613.db2.gz WEWRRLVTBJIAMJ-SSDOTTSWSA-N 1 2 230.271 1.257 20 0 BDADLO C[S@@](=O)c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243951201 985654486 /nfs/dbraw/zinc/65/44/86/985654486.db2.gz FVHKVMIDQPRSRG-OAHLLOKOSA-N 1 2 222.313 1.543 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CCC1 ZINC001327553118 985704904 /nfs/dbraw/zinc/70/49/04/985704904.db2.gz DKNCYUZUCBWCDA-KWQFWETISA-N 1 2 239.319 1.844 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001460079742 985736901 /nfs/dbraw/zinc/73/69/01/985736901.db2.gz MZOFEHYTWQPFHR-MNOVXSKESA-N 1 2 245.363 1.713 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001327719069 985910234 /nfs/dbraw/zinc/91/02/34/985910234.db2.gz BGNGIKUXLUHOEV-VXGBXAGGSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1ncc(CN2CC3(CC[N@H+]3C)C2)s1 ZINC001276349114 986045825 /nfs/dbraw/zinc/04/58/25/986045825.db2.gz SMNUQQCYEGGEFE-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1ncc(CN2CC3(CC[N@@H+]3C)C2)s1 ZINC001276349114 986045839 /nfs/dbraw/zinc/04/58/39/986045839.db2.gz SMNUQQCYEGGEFE-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H]2CCn3ccnc32)cn1 ZINC001461524305 986072012 /nfs/dbraw/zinc/07/20/12/986072012.db2.gz XWIFQZLPJRVSGC-LBPRGKRZSA-N 1 2 245.330 1.895 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCn3ccnc32)cn1 ZINC001461519819 986075177 /nfs/dbraw/zinc/07/51/77/986075177.db2.gz HEWMJBJTOJJVMA-NSHDSACASA-N 1 2 229.287 1.216 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]([NH3+])C(F)F)[nH]c(=O)c1 ZINC001579627005 986141732 /nfs/dbraw/zinc/14/17/32/986141732.db2.gz VRCLKNRMBWTQJB-ZCFIWIBFSA-N 1 2 245.229 1.017 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnc(N)cn2)nc1 ZINC001579697143 986189053 /nfs/dbraw/zinc/18/90/53/986189053.db2.gz YYZHXILODKYWCM-UHFFFAOYSA-N 1 2 229.287 1.052 20 0 BDADLO CN(C)c1n[nH]c(C[NH2+]Cc2ccsc2)n1 ZINC001461839819 986199148 /nfs/dbraw/zinc/19/91/48/986199148.db2.gz YLCKANCFXBQVBJ-UHFFFAOYSA-N 1 2 237.332 1.222 20 0 BDADLO CC(=O)NC[C@@H]1C[N@H+](CCF)CCC1(F)F ZINC001046903223 986355382 /nfs/dbraw/zinc/35/53/82/986355382.db2.gz ACOGATYOPLZCTM-SECBINFHSA-N 1 2 238.253 1.049 20 0 BDADLO CC(=O)NC[C@@H]1C[N@@H+](CCF)CCC1(F)F ZINC001046903223 986355389 /nfs/dbraw/zinc/35/53/89/986355389.db2.gz ACOGATYOPLZCTM-SECBINFHSA-N 1 2 238.253 1.049 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@]2(C)CCCCO2)o1 ZINC001462418130 986381024 /nfs/dbraw/zinc/38/10/24/986381024.db2.gz PUOMJWAAJLVBJS-LBPRGKRZSA-N 1 2 239.319 1.769 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@]2(C)CCCCO2)o1 ZINC001462418130 986381028 /nfs/dbraw/zinc/38/10/28/986381028.db2.gz PUOMJWAAJLVBJS-LBPRGKRZSA-N 1 2 239.319 1.769 20 0 BDADLO Fc1cc(C[NH2+]Cc2ncc[nH]2)cnc1Cl ZINC001462477245 986399966 /nfs/dbraw/zinc/39/99/66/986399966.db2.gz DYGOWIRQAALNFS-UHFFFAOYSA-N 1 2 240.669 1.887 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001260735079 986445280 /nfs/dbraw/zinc/44/52/80/986445280.db2.gz FIBJWCUCMLVIBA-SNVBAGLBSA-N 1 2 248.392 1.141 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001260735079 986445314 /nfs/dbraw/zinc/44/53/14/986445314.db2.gz FIBJWCUCMLVIBA-SNVBAGLBSA-N 1 2 248.392 1.141 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccccn1 ZINC001463901506 986588642 /nfs/dbraw/zinc/58/86/42/986588642.db2.gz XUCQPUSPHGGZHZ-VIFPVBQESA-N 1 2 205.261 1.114 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccccn1 ZINC001463901506 986588654 /nfs/dbraw/zinc/58/86/54/986588654.db2.gz XUCQPUSPHGGZHZ-VIFPVBQESA-N 1 2 205.261 1.114 20 0 BDADLO CCc1ccc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]c1 ZINC001262690074 986596390 /nfs/dbraw/zinc/59/63/90/986596390.db2.gz RJXPHURSIGMSPM-ZYHUDNBSSA-N 1 2 220.316 1.851 20 0 BDADLO CC(C)=CC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097658534 986633004 /nfs/dbraw/zinc/63/30/04/986633004.db2.gz FDHPWTXZMJWCKQ-SNVBAGLBSA-N 1 2 248.330 1.668 20 0 BDADLO Cc1c(CN2C[C@H]3C[C@@H](C2)O3)[nH+]c2ccccn12 ZINC001137273803 986712688 /nfs/dbraw/zinc/71/26/88/986712688.db2.gz SQNSSCGTAOCBRL-TXEJJXNPSA-N 1 2 243.310 1.616 20 0 BDADLO O=C1C[C@H]2C[C@H]([N@H+]3C[C@@H](F)[C@@H](F)C3)C[C@H]2C1 ZINC001254944676 986756314 /nfs/dbraw/zinc/75/63/14/986756314.db2.gz CTPUMARSKAAWRZ-NNKURLDESA-N 1 2 229.270 1.736 20 0 BDADLO O=C1C[C@H]2C[C@H]([N@@H+]3C[C@@H](F)[C@@H](F)C3)C[C@H]2C1 ZINC001254944676 986756330 /nfs/dbraw/zinc/75/63/30/986756330.db2.gz CTPUMARSKAAWRZ-NNKURLDESA-N 1 2 229.270 1.736 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cncc(N2CCOCC2)c1 ZINC001245273767 986777906 /nfs/dbraw/zinc/77/79/06/986777906.db2.gz MUMZXCNSMMASRV-UDDBFOFZSA-N 1 2 245.326 1.794 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2[nH]c(C)cc2C)C1 ZINC001137330006 986789291 /nfs/dbraw/zinc/78/92/91/986789291.db2.gz YBNBNISYHAZTTL-UHFFFAOYSA-N 1 2 235.331 1.294 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC=CCC1 ZINC001466424280 986796983 /nfs/dbraw/zinc/79/69/83/986796983.db2.gz NTPFJLIVCGCPFW-UHFFFAOYSA-N 1 2 227.267 1.965 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC12CC2 ZINC001467293678 986845357 /nfs/dbraw/zinc/84/53/57/986845357.db2.gz YVDMKMVVPSXGQL-ZJUUUORDSA-N 1 2 231.299 1.114 20 0 BDADLO Cn1ncc2cc(-c3cc[nH+]c(N)c3)cnc21 ZINC001245472622 986864434 /nfs/dbraw/zinc/86/44/34/986864434.db2.gz OHRVKBJVXMCRMP-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO CC/C=C(/F)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468321353 986903636 /nfs/dbraw/zinc/90/36/36/986903636.db2.gz UJYIPHZDQNCPQU-YZYZJBAHSA-N 1 2 244.285 1.504 20 0 BDADLO CC/C=C(/F)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468321353 986903650 /nfs/dbraw/zinc/90/36/50/986903650.db2.gz UJYIPHZDQNCPQU-YZYZJBAHSA-N 1 2 244.285 1.504 20 0 BDADLO Cc1cc(-c2cc(C(N)=O)ccn2)c[nH+]c1N ZINC001245535573 986908320 /nfs/dbraw/zinc/90/83/20/986908320.db2.gz DWVRTHTVCOIGEP-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cc1cc(-c2c[nH]cc3ncnc2-3)c[nH+]c1N ZINC001245538512 986917356 /nfs/dbraw/zinc/91/73/56/986917356.db2.gz MOQQIYNMLFGPTM-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cc1cc(-c2cnc3ncnn3c2)c[nH+]c1N ZINC001245537915 986917867 /nfs/dbraw/zinc/91/78/67/986917867.db2.gz HHDBPJHBRRKWJY-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137474416 986920540 /nfs/dbraw/zinc/92/05/40/986920540.db2.gz SLESQMPNOQXHCR-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137474416 986920554 /nfs/dbraw/zinc/92/05/54/986920554.db2.gz SLESQMPNOQXHCR-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO CCn1cccc(-c2c[nH+]c(N)c(C)c2)c1=O ZINC001245537925 986922199 /nfs/dbraw/zinc/92/21/99/986922199.db2.gz HOCIXUXZPHPDHA-UHFFFAOYSA-N 1 2 229.283 1.821 20 0 BDADLO Cc1cc(-c2cc(C)c(=O)n(C)c2)c[nH+]c1N ZINC001245540501 986924707 /nfs/dbraw/zinc/92/47/07/986924707.db2.gz UUWUJKXTXMNAGY-UHFFFAOYSA-N 1 2 229.283 1.646 20 0 BDADLO CCn1nccc(-c2c[nH+]c(N)c(C)c2)c1=O ZINC001245540432 986927054 /nfs/dbraw/zinc/92/70/54/986927054.db2.gz RHZUZZQVWVQIOI-UHFFFAOYSA-N 1 2 230.271 1.216 20 0 BDADLO Cc1ccc(C(N)=O)c(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245539520 986927629 /nfs/dbraw/zinc/92/76/29/986927629.db2.gz USLZCCLECJEESG-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO Cc1cc(-c2ncccc2C(N)=S)c[nH+]c1N ZINC001245538919 986927888 /nfs/dbraw/zinc/92/78/88/986927888.db2.gz SDYUUCGMQFVRIV-UHFFFAOYSA-N 1 2 244.323 1.668 20 0 BDADLO Cc1cc(-c2ccc(CC(N)=O)cc2)c[nH+]c1N ZINC001245539074 986928504 /nfs/dbraw/zinc/92/85/04/986928504.db2.gz QHLSABOUAQIVMU-UHFFFAOYSA-N 1 2 241.294 1.667 20 0 BDADLO Cc1cc(-c2ccc3c(n2)NCCO3)c[nH+]c1N ZINC001245540918 986929611 /nfs/dbraw/zinc/92/96/11/986929611.db2.gz ZXPUVAVAFORISG-UHFFFAOYSA-N 1 2 242.282 1.839 20 0 BDADLO C[C@@H](N[C@H]1CCC[N@H+](C)C1)c1ccno1 ZINC001255480681 986978474 /nfs/dbraw/zinc/97/84/74/986978474.db2.gz YLVVJFTWSFVZQG-ZJUUUORDSA-N 1 2 209.293 1.419 20 0 BDADLO C[C@@H](N[C@H]1CCC[N@@H+](C)C1)c1ccno1 ZINC001255480681 986978483 /nfs/dbraw/zinc/97/84/83/986978483.db2.gz YLVVJFTWSFVZQG-ZJUUUORDSA-N 1 2 209.293 1.419 20 0 BDADLO COC[C@H](C)[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001255576423 987026513 /nfs/dbraw/zinc/02/65/13/987026513.db2.gz YFYYFNSPLJPLNU-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO COC[C@H](C)[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001255576423 987026524 /nfs/dbraw/zinc/02/65/24/987026524.db2.gz YFYYFNSPLJPLNU-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)[C@H]1C ZINC001470445001 987045573 /nfs/dbraw/zinc/04/55/73/987045573.db2.gz GPIGCBOAMBXVFA-ZJUUUORDSA-N 1 2 236.319 1.012 20 0 BDADLO COC(=O)c1ccc(-c2c[nH+]cn2C)cc1N ZINC001245905732 987131529 /nfs/dbraw/zinc/13/15/29/987131529.db2.gz JOLYBLGUZZZXGT-UHFFFAOYSA-N 1 2 231.255 1.456 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CCSC2)c[nH+]1 ZINC001472019086 987157629 /nfs/dbraw/zinc/15/76/29/987157629.db2.gz SMHYHJHJBLWHPV-QMMMGPOBSA-N 1 2 239.344 1.341 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CCSC2)[nH+]1 ZINC001472019086 987157640 /nfs/dbraw/zinc/15/76/40/987157640.db2.gz SMHYHJHJBLWHPV-QMMMGPOBSA-N 1 2 239.344 1.341 20 0 BDADLO [NH3+]Cc1cc(=O)n([C@H]2CCc3ccccc32)[nH]1 ZINC001245923985 987166419 /nfs/dbraw/zinc/16/64/19/987166419.db2.gz LKTJWUIHLBPECV-LBPRGKRZSA-N 1 2 229.283 1.583 20 0 BDADLO O=c1cc([C@@H]2CC[NH2+]C2)[nH]n1-c1nccs1 ZINC001245943581 987220133 /nfs/dbraw/zinc/22/01/33/987220133.db2.gz LLFLCHQXHJUBEY-SSDOTTSWSA-N 1 2 236.300 1.111 20 0 BDADLO CN(CCn1cc[nH+]c1)Cc1noc(C2CC2)n1 ZINC001473541947 987466176 /nfs/dbraw/zinc/46/61/76/987466176.db2.gz JEMZYQUWLDYMCT-UHFFFAOYSA-N 1 2 247.302 1.276 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC(c2ncccn2)CC1 ZINC001473811484 987565534 /nfs/dbraw/zinc/56/55/34/987565534.db2.gz NYMKZJIASDVYKJ-SNVBAGLBSA-N 1 2 249.314 1.218 20 0 BDADLO CO[C@H](C)C[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473798655 987568446 /nfs/dbraw/zinc/56/84/46/987568446.db2.gz ZYCAQXJFVBVQGR-NXEZZACHSA-N 1 2 223.320 1.439 20 0 BDADLO CO[C@H](C)C[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473798655 987568456 /nfs/dbraw/zinc/56/84/56/987568456.db2.gz ZYCAQXJFVBVQGR-NXEZZACHSA-N 1 2 223.320 1.439 20 0 BDADLO Cc1csc(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC001116529280 987619622 /nfs/dbraw/zinc/61/96/22/987619622.db2.gz JEBROSQWSGMUQY-UHFFFAOYSA-N 1 2 248.311 1.345 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ccn(C)n2)cn1 ZINC001474098495 987642962 /nfs/dbraw/zinc/64/29/62/987642962.db2.gz AWOZAZDMZONMBL-UHFFFAOYSA-N 1 2 231.303 1.062 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1cc(C)n(C)n1 ZINC001474155509 987649808 /nfs/dbraw/zinc/64/98/08/987649808.db2.gz KFGKRUYRVGJZJE-UHFFFAOYSA-N 1 2 248.330 1.877 20 0 BDADLO CCC1CCC([NH2+]Cc2nnc(CO)[nH]2)CC1 ZINC001474306687 987684025 /nfs/dbraw/zinc/68/40/25/987684025.db2.gz SJAVWBQZZCWLJB-UHFFFAOYSA-N 1 2 238.335 1.355 20 0 BDADLO CCn1cnc(Cl)c1C[N@@H+]1CC[C@H](O)C1 ZINC001474329366 987690229 /nfs/dbraw/zinc/69/02/29/987690229.db2.gz JMXMNOMRMWGCHL-QMMMGPOBSA-N 1 2 229.711 1.123 20 0 BDADLO CCn1cnc(Cl)c1C[N@H+]1CC[C@H](O)C1 ZINC001474329366 987690236 /nfs/dbraw/zinc/69/02/36/987690236.db2.gz JMXMNOMRMWGCHL-QMMMGPOBSA-N 1 2 229.711 1.123 20 0 BDADLO CCc1cnc(CNC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001116868238 987740325 /nfs/dbraw/zinc/74/03/25/987740325.db2.gz XLEUHRNMEKQWPH-VIFPVBQESA-N 1 2 248.286 1.311 20 0 BDADLO C[C@H](C(=O)NCCCC(F)(F)F)n1cc[nH+]c1 ZINC001116925351 987762926 /nfs/dbraw/zinc/76/29/26/987762926.db2.gz OOQXXYIXWFHZJI-MRVPVSSYSA-N 1 2 249.236 1.903 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nncn2C)n(C)n1 ZINC001117074139 987777432 /nfs/dbraw/zinc/77/74/32/987777432.db2.gz DHUQDPNDXBYBRS-UWVGGRQHSA-N 1 2 248.334 1.269 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\c2cccnc2)o1 ZINC001117260686 987812783 /nfs/dbraw/zinc/81/27/83/987812783.db2.gz RBPLMVQYSLAVCB-WAYWQWQTSA-N 1 2 230.271 1.697 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC001117660793 987854266 /nfs/dbraw/zinc/85/42/66/987854266.db2.gz CWILJZYBSXURDC-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC001117660793 987854276 /nfs/dbraw/zinc/85/42/76/987854276.db2.gz CWILJZYBSXURDC-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO CCCCCNC(=O)NCc1ccc[nH+]c1N ZINC001477258787 987855101 /nfs/dbraw/zinc/85/51/01/987855101.db2.gz WCOLQLPTWWKXAK-UHFFFAOYSA-N 1 2 236.319 1.653 20 0 BDADLO CC1(CNC(=O)NCc2ccc[nH+]c2N)CC1 ZINC001478089405 987867526 /nfs/dbraw/zinc/86/75/26/987867526.db2.gz XSXQWTXRGOPNJP-UHFFFAOYSA-N 1 2 234.303 1.263 20 0 BDADLO CSC1(CNC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001321428159 987904612 /nfs/dbraw/zinc/90/46/12/987904612.db2.gz ZEJXGOFHWKHAJV-VIFPVBQESA-N 1 2 239.344 1.456 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccn1C1CC1 ZINC001117783406 987908940 /nfs/dbraw/zinc/90/89/40/987908940.db2.gz HTRQVBAMCOYOPY-ZDUSSCGKSA-N 1 2 248.326 1.960 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccn1C1CC1 ZINC001117783406 987908952 /nfs/dbraw/zinc/90/89/52/987908952.db2.gz HTRQVBAMCOYOPY-ZDUSSCGKSA-N 1 2 248.326 1.960 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)n[nH]1 ZINC001117948091 987963323 /nfs/dbraw/zinc/96/33/23/987963323.db2.gz MCNMFYNMHRJLHT-GHMZBOCLSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)n[nH]1 ZINC001117948091 987963329 /nfs/dbraw/zinc/96/33/29/987963329.db2.gz MCNMFYNMHRJLHT-GHMZBOCLSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)no1 ZINC001322024503 988075272 /nfs/dbraw/zinc/07/52/72/988075272.db2.gz BKOUYBVDHUZNEK-QMMMGPOBSA-N 1 2 220.232 1.379 20 0 BDADLO Cc1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2)nc1 ZINC001118284528 988187706 /nfs/dbraw/zinc/18/77/06/988187706.db2.gz NMZDHCOMPDHHLV-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO C[NH+](C)Cc1nnc(C2(CCF)CC2)o1 ZINC001118371683 988276960 /nfs/dbraw/zinc/27/69/60/988276960.db2.gz FIIPRVRIKGSXNW-UHFFFAOYSA-N 1 2 213.256 1.522 20 0 BDADLO COCC[N@H+](Cc1nnc[nH]1)[C@H]1CC[C@H](C)C1 ZINC001118496835 988395171 /nfs/dbraw/zinc/39/51/71/988395171.db2.gz JMMAWKHFHLGOOX-QWRGUYRKSA-N 1 2 238.335 1.442 20 0 BDADLO COCC[N@@H+](Cc1nnc[nH]1)[C@H]1CC[C@H](C)C1 ZINC001118496835 988395183 /nfs/dbraw/zinc/39/51/83/988395183.db2.gz JMMAWKHFHLGOOX-QWRGUYRKSA-N 1 2 238.335 1.442 20 0 BDADLO COC[C@@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 ZINC001118557241 988428776 /nfs/dbraw/zinc/42/87/76/988428776.db2.gz DKZLMWVAZKCTKN-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001118557241 988428784 /nfs/dbraw/zinc/42/87/84/988428784.db2.gz DKZLMWVAZKCTKN-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C ZINC001323339587 988501655 /nfs/dbraw/zinc/50/16/55/988501655.db2.gz HXXLGDLLCBJTNJ-QWRGUYRKSA-N 1 2 244.354 1.971 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C ZINC001323339587 988501667 /nfs/dbraw/zinc/50/16/67/988501667.db2.gz HXXLGDLLCBJTNJ-QWRGUYRKSA-N 1 2 244.354 1.971 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@@H+]1Cc1conc1C ZINC001498906690 988508502 /nfs/dbraw/zinc/50/85/02/988508502.db2.gz JMLCATXCBCEJOQ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@H+]1Cc1conc1C ZINC001498906690 988508512 /nfs/dbraw/zinc/50/85/12/988508512.db2.gz JMLCATXCBCEJOQ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO C[C@@H](C(=O)NC[C@]1(C)CCCO1)n1cc[nH+]c1 ZINC001323739608 988595967 /nfs/dbraw/zinc/59/59/67/988595967.db2.gz YKILUHWSJYIEJB-JQWIXIFHSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@H](C(=O)N(C)C[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC001118798260 988602043 /nfs/dbraw/zinc/60/20/43/988602043.db2.gz LWTUKPNTDINSBA-MNOVXSKESA-N 1 2 235.331 1.949 20 0 BDADLO C[C@@H](C(=O)N(C)C[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC001118798261 988604682 /nfs/dbraw/zinc/60/46/82/988604682.db2.gz LWTUKPNTDINSBA-QWRGUYRKSA-N 1 2 235.331 1.949 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1Cc2cccnc2C1 ZINC001118848517 988649038 /nfs/dbraw/zinc/64/90/38/988649038.db2.gz XSJBNZJIZSYVEU-UHFFFAOYSA-N 1 2 242.282 1.280 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1Cc2cccnc2C1 ZINC001118848517 988649048 /nfs/dbraw/zinc/64/90/48/988649048.db2.gz XSJBNZJIZSYVEU-UHFFFAOYSA-N 1 2 242.282 1.280 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2cccnc2)o1 ZINC001324172621 988733333 /nfs/dbraw/zinc/73/33/33/988733333.db2.gz BSIZVMUSVBTBIO-UHFFFAOYSA-N 1 2 218.260 1.117 20 0 BDADLO Cc1cc(F)cc(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC001548517008 988753248 /nfs/dbraw/zinc/75/32/48/988753248.db2.gz DHHNAHLOXCTCOM-ZJUUUORDSA-N 1 2 208.236 1.507 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1ncnn1C(C)C ZINC001118986031 988775100 /nfs/dbraw/zinc/77/51/00/988775100.db2.gz GGSOCSDIPCSBEQ-UHFFFAOYSA-N 1 2 234.307 1.180 20 0 BDADLO CCOc1ccc2[nH+]c(CCCO)n(C)c2c1 ZINC001247042060 988846598 /nfs/dbraw/zinc/84/65/98/988846598.db2.gz DMDGHPVJTKBGOH-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO CC[C@](C)(C[NH2+][C@H](C)c1noc(C)n1)OC ZINC001119245804 988861801 /nfs/dbraw/zinc/86/18/01/988861801.db2.gz UPTCYUCBZWSFIY-LDYMZIIASA-N 1 2 227.308 1.844 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ccc[nH]1 ZINC001324521411 988864204 /nfs/dbraw/zinc/86/42/04/988864204.db2.gz VVUUADHYAPVCEJ-NXEZZACHSA-N 1 2 232.287 1.650 20 0 BDADLO CC(F)(F)C(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001324570717 988878464 /nfs/dbraw/zinc/87/84/64/988878464.db2.gz GVDNALNENJKSBR-VIFPVBQESA-N 1 2 238.253 1.192 20 0 BDADLO CC(F)(F)C(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001324570717 988878466 /nfs/dbraw/zinc/87/84/66/988878466.db2.gz GVDNALNENJKSBR-VIFPVBQESA-N 1 2 238.253 1.192 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001119307859 988925815 /nfs/dbraw/zinc/92/58/15/988925815.db2.gz DJABZAZSDBPDFG-RWMBFGLXSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001119307859 988925828 /nfs/dbraw/zinc/92/58/28/988925828.db2.gz DJABZAZSDBPDFG-RWMBFGLXSA-N 1 2 249.358 1.810 20 0 BDADLO COc1ccncc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001324986583 989042298 /nfs/dbraw/zinc/04/22/98/989042298.db2.gz FBAGFLYUDGXTOL-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO COC(=O)NC1C[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001325011307 989054458 /nfs/dbraw/zinc/05/44/58/989054458.db2.gz BZRLXUBISVIFSZ-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO Cc1cc(=O)[nH]c(N(C)CCCn2cc[nH+]c2)n1 ZINC001515562967 989066445 /nfs/dbraw/zinc/06/64/45/989066445.db2.gz KHJAHLPONOKBJW-UHFFFAOYSA-N 1 2 247.302 1.214 20 0 BDADLO CCc1ccc(N[C@@H](C)C[S@@](C)=O)[nH+]c1 ZINC001515626848 989083781 /nfs/dbraw/zinc/08/37/81/989083781.db2.gz ZYHVHFCOTILXHV-BJOHPYRUSA-N 1 2 226.345 1.823 20 0 BDADLO COCC1(c2noc([C@H](C)n3cc[nH+]c3)n2)CC1 ZINC001119524338 989126414 /nfs/dbraw/zinc/12/64/14/989126414.db2.gz KYIJAMPTWDWYFN-VIFPVBQESA-N 1 2 248.286 1.553 20 0 BDADLO COc1nccc(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC001248791641 989146469 /nfs/dbraw/zinc/14/64/69/989146469.db2.gz NDMLNAMYXVRWBD-MRVPVSSYSA-N 1 2 242.706 1.310 20 0 BDADLO COc1nccc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC001248791641 989146479 /nfs/dbraw/zinc/14/64/79/989146479.db2.gz NDMLNAMYXVRWBD-MRVPVSSYSA-N 1 2 242.706 1.310 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001325295615 989147562 /nfs/dbraw/zinc/14/75/62/989147562.db2.gz FHMNADOZXCMHME-KXNHARMFSA-N 1 2 235.331 1.947 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cs1 ZINC001248801547 989152088 /nfs/dbraw/zinc/15/20/88/989152088.db2.gz VLWSQQSPKMKKPW-VHSXEESVSA-N 1 2 215.293 1.571 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cs1 ZINC001248801547 989152099 /nfs/dbraw/zinc/15/20/99/989152099.db2.gz VLWSQQSPKMKKPW-VHSXEESVSA-N 1 2 215.293 1.571 20 0 BDADLO CC(=O)c1ccc(CO[NH+]=C(N)CCO)cc1 ZINC001325347329 989170542 /nfs/dbraw/zinc/17/05/42/989170542.db2.gz YYXGZLKWCCQJRI-UHFFFAOYSA-N 1 2 236.271 1.270 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001325415931 989181644 /nfs/dbraw/zinc/18/16/44/989181644.db2.gz MJNVMGTXPQFDLE-SRVKXCTJSA-N 1 2 235.331 1.852 20 0 BDADLO Clc1ccn2ncc(C[NH+]3CCC3)c2n1 ZINC001248875015 989212511 /nfs/dbraw/zinc/21/25/11/989212511.db2.gz RBOODQPAJCIKIV-UHFFFAOYSA-N 1 2 222.679 1.588 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC001325602305 989213809 /nfs/dbraw/zinc/21/38/09/989213809.db2.gz UCTRURLDVJWRIB-SNVBAGLBSA-N 1 2 246.314 1.596 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC001325602305 989213820 /nfs/dbraw/zinc/21/38/20/989213820.db2.gz UCTRURLDVJWRIB-SNVBAGLBSA-N 1 2 246.314 1.596 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001248933146 989220895 /nfs/dbraw/zinc/22/08/95/989220895.db2.gz QKFJYBHVDUCIEP-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC001248933146 989220903 /nfs/dbraw/zinc/22/09/03/989220903.db2.gz QKFJYBHVDUCIEP-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248932256 989221003 /nfs/dbraw/zinc/22/10/03/989221003.db2.gz FTYUNVBNIOGBGS-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248932256 989221010 /nfs/dbraw/zinc/22/10/10/989221010.db2.gz FTYUNVBNIOGBGS-GFCCVEGCSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C)nc(C[NH+]2CC(C3COC3)C2)n1 ZINC001248931729 989221309 /nfs/dbraw/zinc/22/13/09/989221309.db2.gz CZJFYDPHMIVQIV-UHFFFAOYSA-N 1 2 233.315 1.172 20 0 BDADLO Cc1cc(C)nc(CN2CCn3c[nH+]cc3C2)n1 ZINC001248972510 989233987 /nfs/dbraw/zinc/23/39/87/989233987.db2.gz LBZQLILUHCRFQX-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@H](CC(=O)[O-])C(C)C)n1C ZINC001119611148 989236827 /nfs/dbraw/zinc/23/68/27/989236827.db2.gz OFFPARNOOMSIGM-LLVKDONJSA-N 1 2 239.319 1.317 20 0 BDADLO Cc1cc(C)cc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)c1 ZINC001249073875 989247688 /nfs/dbraw/zinc/24/76/88/989247688.db2.gz WYFGNKNZYRCMBO-ONGXEEELSA-N 1 2 247.298 1.734 20 0 BDADLO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ncco1 ZINC001119631910 989265737 /nfs/dbraw/zinc/26/57/37/989265737.db2.gz IHQPHKSMDBHIAJ-WFEFGEHDSA-N 1 2 216.306 1.092 20 0 BDADLO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ncco1 ZINC001119631911 989266794 /nfs/dbraw/zinc/26/67/94/989266794.db2.gz IHQPHKSMDBHIAJ-WGZSSWNPSA-N 1 2 216.306 1.092 20 0 BDADLO COc1ccc2[nH]c(C[NH+]3CC=CC3)nc2c1 ZINC001249411184 989276789 /nfs/dbraw/zinc/27/67/89/989276789.db2.gz RDEOZUNKOYXQKD-UHFFFAOYSA-N 1 2 229.283 1.943 20 0 BDADLO OC1C[NH+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249522170 989294405 /nfs/dbraw/zinc/29/44/05/989294405.db2.gz QMICJTQUCWTVFF-UHFFFAOYSA-N 1 2 220.247 1.484 20 0 BDADLO c1nocc1NC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001249553303 989304248 /nfs/dbraw/zinc/30/42/48/989304248.db2.gz GBGONIMQLSCJOF-CYBMUJFWSA-N 1 2 249.314 1.855 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)ns1 ZINC001249569831 989304630 /nfs/dbraw/zinc/30/46/30/989304630.db2.gz AYGIBGZQYXPASA-SNVBAGLBSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](O)C2)ns1 ZINC001249569831 989304636 /nfs/dbraw/zinc/30/46/36/989304636.db2.gz AYGIBGZQYXPASA-SNVBAGLBSA-N 1 2 212.318 1.408 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cn[nH]c1 ZINC001119696515 989346176 /nfs/dbraw/zinc/34/61/76/989346176.db2.gz YAUDDFKKEYFPBP-KHQFGBGNSA-N 1 2 232.291 1.358 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC001326067701 989359156 /nfs/dbraw/zinc/35/91/56/989359156.db2.gz XFBMXVGJAOQXNC-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC001326067701 989359166 /nfs/dbraw/zinc/35/91/66/989359166.db2.gz XFBMXVGJAOQXNC-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001119743601 989378702 /nfs/dbraw/zinc/37/87/02/989378702.db2.gz MLCMUQADBRAENP-FGUAACIASA-N 1 2 211.305 1.490 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001119743601 989378709 /nfs/dbraw/zinc/37/87/09/989378709.db2.gz MLCMUQADBRAENP-FGUAACIASA-N 1 2 211.305 1.490 20 0 BDADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1nncs1 ZINC001119756737 989385985 /nfs/dbraw/zinc/38/59/85/989385985.db2.gz WPBKKPIDXSPKSL-AYMMMOKOSA-N 1 2 227.333 1.272 20 0 BDADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1nncs1 ZINC001119756737 989385999 /nfs/dbraw/zinc/38/59/99/989385999.db2.gz WPBKKPIDXSPKSL-AYMMMOKOSA-N 1 2 227.333 1.272 20 0 BDADLO CC(C)(COC(=O)c1cncnc1)n1cc[nH+]c1 ZINC001519584320 989435751 /nfs/dbraw/zinc/43/57/51/989435751.db2.gz RUOBMXSBWCGXPD-UHFFFAOYSA-N 1 2 246.270 1.265 20 0 BDADLO C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)Cn1cc[nH+]c1 ZINC001119860470 989445392 /nfs/dbraw/zinc/44/53/92/989445392.db2.gz XMUFRCGHSJCJKR-OUCADQQQSA-N 1 2 247.342 1.826 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@H]1F ZINC001519802974 989455955 /nfs/dbraw/zinc/45/59/55/989455955.db2.gz JBRBHTWJYMSQDG-VHSXEESVSA-N 1 2 233.246 1.309 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001119889060 989457931 /nfs/dbraw/zinc/45/79/31/989457931.db2.gz QZPRNQVTQWKMMQ-ZYHUDNBSSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001119889060 989457938 /nfs/dbraw/zinc/45/79/38/989457938.db2.gz QZPRNQVTQWKMMQ-ZYHUDNBSSA-N 1 2 224.279 1.295 20 0 BDADLO CCOC(=O)c1cc(CNc2cccc[nH+]2)[nH]n1 ZINC001326289423 989469659 /nfs/dbraw/zinc/46/96/59/989469659.db2.gz UNTXKWOSDIVAON-UHFFFAOYSA-N 1 2 246.270 1.594 20 0 BDADLO c1nnc(C[N@@H+]2CCCSC[C@@H]2C2CC2)[nH]1 ZINC001119956402 989505500 /nfs/dbraw/zinc/50/55/00/989505500.db2.gz IXHQYSJTPXHJEI-SNVBAGLBSA-N 1 2 238.360 1.522 20 0 BDADLO c1nnc(C[N@H+]2CCCSC[C@@H]2C2CC2)[nH]1 ZINC001119956402 989505508 /nfs/dbraw/zinc/50/55/08/989505508.db2.gz IXHQYSJTPXHJEI-SNVBAGLBSA-N 1 2 238.360 1.522 20 0 BDADLO c1[nH+]cn2ccnc(N3CCC4(CCO4)CC3)c12 ZINC001120039749 989574258 /nfs/dbraw/zinc/57/42/58/989574258.db2.gz LVSCVIRBNMYSDG-UHFFFAOYSA-N 1 2 244.298 1.489 20 0 BDADLO C/C=C(/C)C(=O)NCCc1[nH+]ccn1C ZINC001520620677 989584343 /nfs/dbraw/zinc/58/43/43/989584343.db2.gz SBLBNFYDRMSTOP-WTKPLQERSA-N 1 2 207.277 1.045 20 0 BDADLO CC[C@@H](C)CC(=O)NCCc1[nH+]ccn1C ZINC001520633252 989584706 /nfs/dbraw/zinc/58/47/06/989584706.db2.gz VQHVRBSTKOTSOI-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO C[C@@H](CC(=O)NCCCC(F)F)n1cc[nH+]c1 ZINC001120078587 989591650 /nfs/dbraw/zinc/59/16/50/989591650.db2.gz YAGWBVQMBABENY-VIFPVBQESA-N 1 2 245.273 1.996 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001120086172 989594876 /nfs/dbraw/zinc/59/48/76/989594876.db2.gz SDMFBDOEPYQWSZ-HBNTYKKESA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cncc(NC(=O)CCc2[nH+]ccn2C)c1 ZINC001521238234 989657240 /nfs/dbraw/zinc/65/72/40/989657240.db2.gz WFPFASRTRIBPGJ-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO C=CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001120461021 989657907 /nfs/dbraw/zinc/65/79/07/989657907.db2.gz HRZAOWSGRURYPA-CYBMUJFWSA-N 1 2 241.294 1.927 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ncon2)cc1 ZINC001120509049 989686580 /nfs/dbraw/zinc/68/65/80/989686580.db2.gz ULFXMIOAPARMKX-PWSUYJOCSA-N 1 2 247.298 1.762 20 0 BDADLO CNc1cc(CNC(=O)NC2(C)CCC2)cc[nH+]1 ZINC001521341943 989688957 /nfs/dbraw/zinc/68/89/57/989688957.db2.gz BMCFYRWMQKVYMJ-UHFFFAOYSA-N 1 2 248.330 1.865 20 0 BDADLO CC[C@H](CNc1nc(C)[nH+]cc1C)C(=O)OC ZINC001326839105 989744495 /nfs/dbraw/zinc/74/44/95/989744495.db2.gz MLPPQQJCWFZIHQ-SNVBAGLBSA-N 1 2 237.303 1.705 20 0 BDADLO CC(C)=C(C)C(=O)NCCc1[nH+]ccn1C ZINC001521992363 989822383 /nfs/dbraw/zinc/82/23/83/989822383.db2.gz KLJHEQXFRYXKLK-UHFFFAOYSA-N 1 2 221.304 1.435 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC001120704825 989839423 /nfs/dbraw/zinc/83/94/23/989839423.db2.gz NCCKNEXDNMXRGY-KOLCDFICSA-N 1 2 237.303 1.149 20 0 BDADLO CCc1ccc(N2C[C@@H](O)[C@@H](CC)C2)[nH+]c1 ZINC001120828566 989907395 /nfs/dbraw/zinc/90/73/95/989907395.db2.gz STMLOXQAVLHHKH-NWDGAFQWSA-N 1 2 220.316 1.851 20 0 BDADLO Cc1cc(CNc2ncnc(N)n2)cc(C)[nH+]1 ZINC001120856687 989923845 /nfs/dbraw/zinc/92/38/45/989923845.db2.gz JEUDZSZLDZHGPX-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO CC(=O)NCCN(C)c1cc(F)cc(C)[nH+]1 ZINC001120857530 989927137 /nfs/dbraw/zinc/92/71/37/989927137.db2.gz GHVZTCOCXABVQI-UHFFFAOYSA-N 1 2 225.267 1.101 20 0 BDADLO CCc1ccc(N2CC[C@H](O)[C@@H](C)C2)[nH+]c1 ZINC001120920741 989966536 /nfs/dbraw/zinc/96/65/36/989966536.db2.gz LYMRHEZNALDDRJ-JQWIXIFHSA-N 1 2 220.316 1.851 20 0 BDADLO CCc1ccc(N2CCC[C@H]2C2OCCO2)[nH+]c1 ZINC001120965813 989989291 /nfs/dbraw/zinc/98/92/91/989989291.db2.gz OPNHKDOHAFYREH-LBPRGKRZSA-N 1 2 248.326 1.986 20 0 BDADLO Cc1cn2cc(NC(=O)[C@@H]3C[C@H]3F)ccc2[nH+]1 ZINC001120973851 989995066 /nfs/dbraw/zinc/99/50/66/989995066.db2.gz GLOXPQBTTVGXDU-NXEZZACHSA-N 1 2 233.246 1.939 20 0 BDADLO C[C@H](C(=O)OCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC001524832395 990017573 /nfs/dbraw/zinc/01/75/73/990017573.db2.gz WEBBCCPJMJALQF-ONGXEEELSA-N 1 2 238.287 1.278 20 0 BDADLO Cc1cc(NC(=O)c2cccnn2)c(C)c[nH+]1 ZINC001527661879 990236700 /nfs/dbraw/zinc/23/67/00/990236700.db2.gz IZLBEERGCJYPLA-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO CC1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001527929963 990249417 /nfs/dbraw/zinc/24/94/17/990249417.db2.gz BEIHATPXUKEPDF-UHFFFAOYSA-N 1 2 221.304 1.267 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)C[C@H]([NH3+])C(F)F ZINC001122207210 990291282 /nfs/dbraw/zinc/29/12/82/990291282.db2.gz CLCFTOHNOVZCCO-SFYZADRCSA-N 1 2 234.290 1.758 20 0 BDADLO Cc1ccn(C)c1C(=O)NCCc1[nH+]ccn1C ZINC001528928776 990322664 /nfs/dbraw/zinc/32/26/64/990322664.db2.gz ITTQJTMZMVATLL-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)OCc1c[nH+]cn1C ZINC001122758266 990443501 /nfs/dbraw/zinc/44/35/01/990443501.db2.gz XYLLSIPOUAHMFD-FBIMIBRVSA-N 1 2 238.287 1.134 20 0 BDADLO CCO[C@H]1[C@H](C(=O)OCc2c[nH+]cn2C)[C@@H]1C ZINC001122758268 990445359 /nfs/dbraw/zinc/44/53/59/990445359.db2.gz XYLLSIPOUAHMFD-JMJZKYOTSA-N 1 2 238.287 1.134 20 0 BDADLO CCc1nc(C(=O)OCc2c[nH+]cn2CC)co1 ZINC001123376342 990567192 /nfs/dbraw/zinc/56/71/92/990567192.db2.gz QVCYEJVBAOUHAS-UHFFFAOYSA-N 1 2 249.270 1.810 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccnn1C(C)C ZINC001539408672 990570375 /nfs/dbraw/zinc/57/03/75/990570375.db2.gz YMTLEVPLMGHZMS-SNVBAGLBSA-N 1 2 236.319 1.497 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccnn1C(C)C ZINC001539408672 990570382 /nfs/dbraw/zinc/57/03/82/990570382.db2.gz YMTLEVPLMGHZMS-SNVBAGLBSA-N 1 2 236.319 1.497 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC001540316302 990603265 /nfs/dbraw/zinc/60/32/65/990603265.db2.gz SGJOJJCHRPWNQI-LLVKDONJSA-N 1 2 220.272 1.425 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC001540316302 990603269 /nfs/dbraw/zinc/60/32/69/990603269.db2.gz SGJOJJCHRPWNQI-LLVKDONJSA-N 1 2 220.272 1.425 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(C)n1 ZINC001542126508 990656896 /nfs/dbraw/zinc/65/68/96/990656896.db2.gz FEBRVWQOAROLKU-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CC[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001123766731 990664609 /nfs/dbraw/zinc/66/46/09/990664609.db2.gz TYJIDKHHQITUKG-VIFPVBQESA-N 1 2 239.319 1.235 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001123808986 990675035 /nfs/dbraw/zinc/67/50/35/990675035.db2.gz PMBMSLWOSBVUIH-IJLUTSLNSA-N 1 2 249.358 1.856 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C)cn1 ZINC001543492782 990692809 /nfs/dbraw/zinc/69/28/09/990692809.db2.gz ZYCRRIBBEZURLN-JTQLQIEISA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C)cn1 ZINC001543492782 990692813 /nfs/dbraw/zinc/69/28/13/990692813.db2.gz ZYCRRIBBEZURLN-JTQLQIEISA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C)cn1 ZINC001543492783 990693315 /nfs/dbraw/zinc/69/33/15/990693315.db2.gz ZYCRRIBBEZURLN-SNVBAGLBSA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C)cn1 ZINC001543492783 990693319 /nfs/dbraw/zinc/69/33/19/990693319.db2.gz ZYCRRIBBEZURLN-SNVBAGLBSA-N 1 2 219.288 1.423 20 0 BDADLO CC(C)c1oncc1C(=O)NCc1c[nH+]cn1C ZINC001123921516 990704382 /nfs/dbraw/zinc/70/43/82/990704382.db2.gz KHTTZBAMTNHNGK-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1cnccc1C(=O)NCCc1[nH+]ccn1C ZINC001124010441 990733378 /nfs/dbraw/zinc/73/33/78/990733378.db2.gz JLEOEJXCPRFLJX-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(F)c(O)c1 ZINC001545170132 990745780 /nfs/dbraw/zinc/74/57/80/990745780.db2.gz OPFYMMVSEMHPBW-UHFFFAOYSA-N 1 2 249.245 1.493 20 0 BDADLO CCc1ccc(O)c(NC(=O)[C@H]2CC[N@H+]2CC)c1 ZINC001547362973 990763323 /nfs/dbraw/zinc/76/33/23/990763323.db2.gz RCHGWLKRTSLZDQ-GFCCVEGCSA-N 1 2 248.326 1.987 20 0 BDADLO CCc1ccc(O)c(NC(=O)[C@H]2CC[N@@H+]2CC)c1 ZINC001547362973 990763329 /nfs/dbraw/zinc/76/33/29/990763329.db2.gz RCHGWLKRTSLZDQ-GFCCVEGCSA-N 1 2 248.326 1.987 20 0 BDADLO COc1cc(CNc2cc(N(C)C)nc[nH+]2)on1 ZINC001548518813 990765055 /nfs/dbraw/zinc/76/50/55/990765055.db2.gz ISULLEGZMATPBA-UHFFFAOYSA-N 1 2 249.274 1.151 20 0 BDADLO COc1cc(CNc2cc(N(C)C)[nH+]cn2)on1 ZINC001548518813 990765057 /nfs/dbraw/zinc/76/50/57/990765057.db2.gz ISULLEGZMATPBA-UHFFFAOYSA-N 1 2 249.274 1.151 20 0 BDADLO Cc1cc(F)cc(N2CC(C)(CO)C2)[nH+]1 ZINC001548518139 990765267 /nfs/dbraw/zinc/76/52/67/990765267.db2.gz XVRDCRGZZRBEQG-UHFFFAOYSA-N 1 2 210.252 1.348 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001548633695 990773575 /nfs/dbraw/zinc/77/35/75/990773575.db2.gz YZWIKFUALPGOQP-LBPRGKRZSA-N 1 2 249.358 2.000 20 0 BDADLO CC/C=C(\C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124345438 990777994 /nfs/dbraw/zinc/77/79/94/990777994.db2.gz WQNJWUYUUYTORT-VZUCSPMQSA-N 1 2 248.330 1.039 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CC12CCCC2 ZINC001548694182 990778216 /nfs/dbraw/zinc/77/82/16/990778216.db2.gz QSCGSLOFBHFKQL-NSHDSACASA-N 1 2 247.342 1.802 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(F)F ZINC001548717229 990780594 /nfs/dbraw/zinc/78/05/94/990780594.db2.gz BZCBDRPBAFJBKK-BWZBUEFSSA-N 1 2 243.257 1.293 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001548719034 990787114 /nfs/dbraw/zinc/78/71/14/990787114.db2.gz MHAWKZXPAOOZMI-FZMZJTMJSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001556273088 990816360 /nfs/dbraw/zinc/81/63/60/990816360.db2.gz LLJBMRMLCAGREX-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1cnc(N)nc1 ZINC001138159857 990890829 /nfs/dbraw/zinc/89/08/29/990890829.db2.gz IRIGXIHRBUUIIC-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1cnc(N)nc1 ZINC001138159857 990890830 /nfs/dbraw/zinc/89/08/30/990890830.db2.gz IRIGXIHRBUUIIC-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO Oc1cc(O)cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001138325091 990917267 /nfs/dbraw/zinc/91/72/67/990917267.db2.gz GAUFQQQFXQZVSH-XDTLVQLUSA-N 1 2 237.274 1.888 20 0 BDADLO Oc1cc(O)cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001138325091 990917273 /nfs/dbraw/zinc/91/72/73/990917273.db2.gz GAUFQQQFXQZVSH-XDTLVQLUSA-N 1 2 237.274 1.888 20 0 BDADLO Oc1cc(O)cc(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001138324606 990918397 /nfs/dbraw/zinc/91/83/97/990918397.db2.gz SRSCTJUQCFUJQJ-UHFFFAOYSA-N 1 2 235.283 1.055 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CCC=CO2)c[nH+]1 ZINC001558497599 990956700 /nfs/dbraw/zinc/95/67/00/990956700.db2.gz VSSFKLLCOZKWMR-SNVBAGLBSA-N 1 2 235.287 1.281 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CCC=CO2)[nH+]1 ZINC001558497599 990956709 /nfs/dbraw/zinc/95/67/09/990956709.db2.gz VSSFKLLCOZKWMR-SNVBAGLBSA-N 1 2 235.287 1.281 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC001138493291 990964563 /nfs/dbraw/zinc/96/45/63/990964563.db2.gz VUIKECSPBSVUBP-WDEREUQCSA-N 1 2 238.356 1.787 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC001138493291 990964573 /nfs/dbraw/zinc/96/45/73/990964573.db2.gz VUIKECSPBSVUBP-WDEREUQCSA-N 1 2 238.356 1.787 20 0 BDADLO CCn1c[nH+]cc1CNc1ccnn1C ZINC001308325405 990970474 /nfs/dbraw/zinc/97/04/74/990970474.db2.gz FVROKJNUCOPKLL-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138574831 990974896 /nfs/dbraw/zinc/97/48/96/990974896.db2.gz FFWZCSJVTUAECW-VHSXEESVSA-N 1 2 241.310 1.222 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138574831 990974904 /nfs/dbraw/zinc/97/49/04/990974904.db2.gz FFWZCSJVTUAECW-VHSXEESVSA-N 1 2 241.310 1.222 20 0 BDADLO CCCn1cncc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC001308432854 990991758 /nfs/dbraw/zinc/99/17/58/990991758.db2.gz ATQTVAWTHRZFAB-NSHDSACASA-N 1 2 247.346 1.877 20 0 BDADLO COC1C[NH+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138736658 991024349 /nfs/dbraw/zinc/02/43/49/991024349.db2.gz ZFAYDVMENCLLBV-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cnc2[nH]ccc2c1 ZINC001138738190 991027493 /nfs/dbraw/zinc/02/74/93/991027493.db2.gz ZNELCLVULBYJEM-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cnc2[nH]ccc2c1 ZINC001138738190 991027504 /nfs/dbraw/zinc/02/75/04/991027504.db2.gz ZNELCLVULBYJEM-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO c1cc(C[NH+]2CCC2)n([C@@H]2CCCCO2)n1 ZINC001138773735 991039237 /nfs/dbraw/zinc/03/92/37/991039237.db2.gz LONSBXMPOFKRRU-LBPRGKRZSA-N 1 2 221.304 1.788 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3ccnn32)[C@H](C)CO1 ZINC001138807454 991069873 /nfs/dbraw/zinc/06/98/73/991069873.db2.gz JQIPPGYRUOCXBI-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3ccnn32)[C@H](C)CO1 ZINC001138807454 991069879 /nfs/dbraw/zinc/06/98/79/991069879.db2.gz JQIPPGYRUOCXBI-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3c(cnn3C)C2)n1 ZINC001138938358 991108773 /nfs/dbraw/zinc/10/87/73/991108773.db2.gz JDQYTXDKYZPNMX-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3c(cnn3C)C2)n1 ZINC001138938358 991108779 /nfs/dbraw/zinc/10/87/79/991108779.db2.gz JDQYTXDKYZPNMX-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO C[C@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c2nccn21 ZINC001308736192 991111281 /nfs/dbraw/zinc/11/12/81/991111281.db2.gz YAKSFNFIJAJYPC-FXQIFTODSA-N 1 2 249.236 1.402 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c2nccn21 ZINC001308736194 991113236 /nfs/dbraw/zinc/11/32/36/991113236.db2.gz YAKSFNFIJAJYPC-RNJXMRFFSA-N 1 2 249.236 1.402 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cnc(N)s2)C[C@@H]1F ZINC001139226009 991200303 /nfs/dbraw/zinc/20/03/03/991200303.db2.gz NGOIIJRLAXPIER-WCBMZHEXSA-N 1 2 245.323 1.020 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cnc(N)s2)C[C@@H]1F ZINC001139226009 991200315 /nfs/dbraw/zinc/20/03/15/991200315.db2.gz NGOIIJRLAXPIER-WCBMZHEXSA-N 1 2 245.323 1.020 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(N)s2)CCCC1=O ZINC001139226224 991205205 /nfs/dbraw/zinc/20/52/05/991205205.db2.gz WGSRBZLBMHVTAG-QMMMGPOBSA-N 1 2 239.344 1.526 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(N)s2)CCCC1=O ZINC001139226224 991205215 /nfs/dbraw/zinc/20/52/15/991205215.db2.gz WGSRBZLBMHVTAG-QMMMGPOBSA-N 1 2 239.344 1.526 20 0 BDADLO CCC1(C[N@@H+]2CC(F)(F)CC[C@H]2CO)COC1 ZINC001202911083 991216769 /nfs/dbraw/zinc/21/67/69/991216769.db2.gz BLWBUKRKEMKIJP-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CCC1(C[N@H+]2CC(F)(F)CC[C@H]2CO)COC1 ZINC001202911083 991216779 /nfs/dbraw/zinc/21/67/79/991216779.db2.gz BLWBUKRKEMKIJP-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CSC(C)(C)C[C@H](C)[NH2+][C@H]1CCOC1=O ZINC001258315257 991240281 /nfs/dbraw/zinc/24/02/81/991240281.db2.gz KVYYRIARYNORIY-IUCAKERBSA-N 1 2 231.361 1.812 20 0 BDADLO C[C@H]1CC[N@@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC001139487455 991256844 /nfs/dbraw/zinc/25/68/44/991256844.db2.gz QOBLZWKXRFXZHU-LBPRGKRZSA-N 1 2 242.326 1.921 20 0 BDADLO C[C@H]1CC[N@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC001139487455 991256852 /nfs/dbraw/zinc/25/68/52/991256852.db2.gz QOBLZWKXRFXZHU-LBPRGKRZSA-N 1 2 242.326 1.921 20 0 BDADLO C[C@@H]1CC[N@@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC001139487454 991259868 /nfs/dbraw/zinc/25/98/68/991259868.db2.gz QOBLZWKXRFXZHU-GFCCVEGCSA-N 1 2 242.326 1.921 20 0 BDADLO C[C@@H]1CC[N@H+]1Cc1cn(Cc2ccccc2)nn1 ZINC001139487454 991259876 /nfs/dbraw/zinc/25/98/76/991259876.db2.gz QOBLZWKXRFXZHU-GFCCVEGCSA-N 1 2 242.326 1.921 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139571259 991281714 /nfs/dbraw/zinc/28/17/14/991281714.db2.gz UDIYTYNDKKTOFR-SNVBAGLBSA-N 1 2 235.262 1.040 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139571259 991281723 /nfs/dbraw/zinc/28/17/23/991281723.db2.gz UDIYTYNDKKTOFR-SNVBAGLBSA-N 1 2 235.262 1.040 20 0 BDADLO CCc1[nH]c(CNC(=O)O[C@@H](C)COC)c[nH+]1 ZINC001309919411 991290752 /nfs/dbraw/zinc/29/07/52/991290752.db2.gz CYFLAFIKYMCTSB-QMMMGPOBSA-N 1 2 241.291 1.233 20 0 BDADLO CCc1[nH]cc(CNC(=O)O[C@@H](C)COC)[nH+]1 ZINC001309919411 991290771 /nfs/dbraw/zinc/29/07/71/991290771.db2.gz CYFLAFIKYMCTSB-QMMMGPOBSA-N 1 2 241.291 1.233 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001139609339 991291743 /nfs/dbraw/zinc/29/17/43/991291743.db2.gz VZXAZZWSGCARSX-PHIMTYICSA-N 1 2 246.310 1.501 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001139609339 991291766 /nfs/dbraw/zinc/29/17/66/991291766.db2.gz VZXAZZWSGCARSX-PHIMTYICSA-N 1 2 246.310 1.501 20 0 BDADLO COc1ccncc1C[N@@H+]1CCCCC12COC2 ZINC001139609223 991292341 /nfs/dbraw/zinc/29/23/41/991292341.db2.gz OZBWVEJRYBIMLN-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccncc1C[N@H+]1CCCCC12COC2 ZINC001139609223 991292350 /nfs/dbraw/zinc/29/23/50/991292350.db2.gz OZBWVEJRYBIMLN-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC001559870347 991297578 /nfs/dbraw/zinc/29/75/78/991297578.db2.gz UWLZTMQCEKFARZ-SECBINFHSA-N 1 2 244.339 1.185 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC001559870347 991297589 /nfs/dbraw/zinc/29/75/89/991297589.db2.gz UWLZTMQCEKFARZ-SECBINFHSA-N 1 2 244.339 1.185 20 0 BDADLO COC(=O)CC[C@@H](C)[N@H+](C)Cc1ncccn1 ZINC001258364472 991309648 /nfs/dbraw/zinc/30/96/48/991309648.db2.gz AJFUEKHEBDCEFC-SNVBAGLBSA-N 1 2 237.303 1.250 20 0 BDADLO COC(=O)CC[C@@H](C)[N@@H+](C)Cc1ncccn1 ZINC001258364472 991309652 /nfs/dbraw/zinc/30/96/52/991309652.db2.gz AJFUEKHEBDCEFC-SNVBAGLBSA-N 1 2 237.303 1.250 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001139715782 991341227 /nfs/dbraw/zinc/34/12/27/991341227.db2.gz MXAPYZJVWLHNPL-KGLIPLIRSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001139715782 991341234 /nfs/dbraw/zinc/34/12/34/991341234.db2.gz MXAPYZJVWLHNPL-KGLIPLIRSA-N 1 2 233.311 1.982 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc2cccnc2c1 ZINC001139739398 991349515 /nfs/dbraw/zinc/34/95/15/991349515.db2.gz BUGKNQKVDOOERF-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc2cccnc2c1 ZINC001139739398 991349519 /nfs/dbraw/zinc/34/95/19/991349519.db2.gz BUGKNQKVDOOERF-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO CCCCC[C@@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001258428250 991356045 /nfs/dbraw/zinc/35/60/45/991356045.db2.gz MOZNSAOUIZJEPL-UTUOFQBUSA-N 1 2 245.363 1.857 20 0 BDADLO COCc1ccc(C[N@H+](C)CC(C)=O)s1 ZINC001139824250 991379633 /nfs/dbraw/zinc/37/96/33/991379633.db2.gz RQQHMXJJFMSKLV-UHFFFAOYSA-N 1 2 227.329 1.915 20 0 BDADLO COCc1ccc(C[N@@H+](C)CC(C)=O)s1 ZINC001139824250 991379638 /nfs/dbraw/zinc/37/96/38/991379638.db2.gz RQQHMXJJFMSKLV-UHFFFAOYSA-N 1 2 227.329 1.915 20 0 BDADLO Fc1cc(C[NH+]2CC3(C2)CCOC3)ccn1 ZINC001139830787 991383934 /nfs/dbraw/zinc/38/39/34/991383934.db2.gz KIIASVJKBVDADT-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)nc1 ZINC001139837729 991393627 /nfs/dbraw/zinc/39/36/27/991393627.db2.gz SKLGNDJMOZDHJO-NWDGAFQWSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)nc1 ZINC001139837729 991393629 /nfs/dbraw/zinc/39/36/29/991393629.db2.gz SKLGNDJMOZDHJO-NWDGAFQWSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC(=O)CC2)nc1 ZINC001139839646 991400893 /nfs/dbraw/zinc/40/08/93/991400893.db2.gz MMKDGDFOEAUKND-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC(=O)CC2)nc1 ZINC001139839646 991400894 /nfs/dbraw/zinc/40/08/94/991400894.db2.gz MMKDGDFOEAUKND-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO COc1nscc1C[N@H+](C)CCOC1CC1 ZINC001560174244 991404102 /nfs/dbraw/zinc/40/41/02/991404102.db2.gz XXEGIGXFBFLJRV-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO COc1nscc1C[N@@H+](C)CCOC1CC1 ZINC001560174244 991404107 /nfs/dbraw/zinc/40/41/07/991404107.db2.gz XXEGIGXFBFLJRV-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCCC[C@]23CCOC3)n1 ZINC001560232627 991429485 /nfs/dbraw/zinc/42/94/85/991429485.db2.gz BNNGDMSMKIBOQD-CYBMUJFWSA-N 1 2 248.330 1.204 20 0 BDADLO Nc1ccnc(C[N@H+]2CCCC[C@]23CCOC3)n1 ZINC001560232627 991429496 /nfs/dbraw/zinc/42/94/96/991429496.db2.gz BNNGDMSMKIBOQD-CYBMUJFWSA-N 1 2 248.330 1.204 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC001560235763 991435003 /nfs/dbraw/zinc/43/50/03/991435003.db2.gz UZWYKJXLBYPTGA-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC001560235763 991435007 /nfs/dbraw/zinc/43/50/07/991435007.db2.gz UZWYKJXLBYPTGA-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO Cc1nnc2n1CC[N@@H+](CCC(F)(F)F)[C@@H]2C ZINC001560242893 991441070 /nfs/dbraw/zinc/44/10/70/991441070.db2.gz NCWIOJQKEZSQJV-SSDOTTSWSA-N 1 2 248.252 1.916 20 0 BDADLO Cc1nnc2n1CC[N@H+](CCC(F)(F)F)[C@@H]2C ZINC001560242893 991441076 /nfs/dbraw/zinc/44/10/76/991441076.db2.gz NCWIOJQKEZSQJV-SSDOTTSWSA-N 1 2 248.252 1.916 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139992761 991464227 /nfs/dbraw/zinc/46/42/27/991464227.db2.gz SEIBFQGPEXDUTM-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139992761 991464231 /nfs/dbraw/zinc/46/42/31/991464231.db2.gz SEIBFQGPEXDUTM-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139992760 991466795 /nfs/dbraw/zinc/46/67/95/991466795.db2.gz SEIBFQGPEXDUTM-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139992760 991466800 /nfs/dbraw/zinc/46/68/00/991466800.db2.gz SEIBFQGPEXDUTM-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO CC[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001317241127 991474484 /nfs/dbraw/zinc/47/44/84/991474484.db2.gz IZJNTKIKQCLSDD-PHDIDXHHSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+][C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001317241127 991474496 /nfs/dbraw/zinc/47/44/96/991474496.db2.gz IZJNTKIKQCLSDD-PHDIDXHHSA-N 1 2 230.205 1.001 20 0 BDADLO Clc1ncc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC001139992615 991472846 /nfs/dbraw/zinc/47/28/46/991472846.db2.gz NYTCDUUADJMMSL-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ncc(C[N@H+]2CCn3cncc3C2)cn1 ZINC001139992615 991472850 /nfs/dbraw/zinc/47/28/50/991472850.db2.gz NYTCDUUADJMMSL-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO NC(=O)C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC001560485447 991482508 /nfs/dbraw/zinc/48/25/08/991482508.db2.gz VHYZFNWVZRNFEE-GFCCVEGCSA-N 1 2 244.298 1.116 20 0 BDADLO C[N@H+](Cc1cccs1)Cc1nccnc1N ZINC001140015504 991485712 /nfs/dbraw/zinc/48/57/12/991485712.db2.gz CYEHZLLLCKQSEQ-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO C[N@@H+](Cc1cccs1)Cc1nccnc1N ZINC001140015504 991485715 /nfs/dbraw/zinc/48/57/15/991485715.db2.gz CYEHZLLLCKQSEQ-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO C[NH+](C)Cc1nnc(CC2CCCC2)o1 ZINC001258595251 991490353 /nfs/dbraw/zinc/49/03/53/991490353.db2.gz VTSXXMJUKDKJLO-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CSc1nccc(C[NH+]2CC=CC2)n1 ZINC001140032999 991491176 /nfs/dbraw/zinc/49/11/76/991491176.db2.gz MQZXVTAJKUGPDF-UHFFFAOYSA-N 1 2 207.302 1.570 20 0 BDADLO CNc1nccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC001140040930 991494372 /nfs/dbraw/zinc/49/43/72/991494372.db2.gz RCRWRHVNALWAPG-MWLCHTKSSA-N 1 2 238.310 1.698 20 0 BDADLO CNc1nccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC001140040930 991494380 /nfs/dbraw/zinc/49/43/80/991494380.db2.gz RCRWRHVNALWAPG-MWLCHTKSSA-N 1 2 238.310 1.698 20 0 BDADLO CNc1nccc(C[N@@H+]2CCC[C@@H]2CF)n1 ZINC001140044581 991497442 /nfs/dbraw/zinc/49/74/42/991497442.db2.gz JTDKRGQHSSJNKQ-SNVBAGLBSA-N 1 2 224.283 1.452 20 0 BDADLO CNc1nccc(C[N@H+]2CCC[C@@H]2CF)n1 ZINC001140044581 991497446 /nfs/dbraw/zinc/49/74/46/991497446.db2.gz JTDKRGQHSSJNKQ-SNVBAGLBSA-N 1 2 224.283 1.452 20 0 BDADLO Oc1ccc(F)c(C[NH+]2CC3(C2)CCOC3)c1 ZINC001140050480 991501579 /nfs/dbraw/zinc/50/15/79/991501579.db2.gz MABPYNLMCOSMOC-UHFFFAOYSA-N 1 2 237.274 1.754 20 0 BDADLO Oc1ccc(C[N@@H+]2CCCC23COC3)c(F)c1 ZINC001140129204 991527679 /nfs/dbraw/zinc/52/76/79/991527679.db2.gz WFONAVGPXWMMQI-UHFFFAOYSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1ccc(C[N@H+]2CCCC23COC3)c(F)c1 ZINC001140129204 991527690 /nfs/dbraw/zinc/52/76/90/991527690.db2.gz WFONAVGPXWMMQI-UHFFFAOYSA-N 1 2 237.274 1.896 20 0 BDADLO CCN1CC[N@H+](Cc2ccncc2O)[C@H](C)C1 ZINC001140278369 991601144 /nfs/dbraw/zinc/60/11/44/991601144.db2.gz CNCKISMSNJCBIV-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CCN1CC[N@@H+](Cc2ccncc2O)[C@H](C)C1 ZINC001140278369 991601150 /nfs/dbraw/zinc/60/11/50/991601150.db2.gz CNCKISMSNJCBIV-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)COC(C)C)C1 ZINC001318007486 991608998 /nfs/dbraw/zinc/60/89/98/991608998.db2.gz LMWAIVUMQZTSON-UHFFFAOYSA-N 1 2 240.347 1.178 20 0 BDADLO CSC[C@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001318110558 991620768 /nfs/dbraw/zinc/62/07/68/991620768.db2.gz UERYGWKMHFQALZ-VIFPVBQESA-N 1 2 248.367 1.003 20 0 BDADLO Cc1cnc2c(c1)C[N@@H+](Cc1ccncn1)CC2 ZINC001140350147 991623998 /nfs/dbraw/zinc/62/39/98/991623998.db2.gz YXWLHGDLISUAQV-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cnc2c(c1)C[N@H+](Cc1ccncn1)CC2 ZINC001140350147 991624002 /nfs/dbraw/zinc/62/40/02/991624002.db2.gz YXWLHGDLISUAQV-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO COCc1cc(CN2CCn3c[nH+]cc3C2)no1 ZINC001560867279 991629611 /nfs/dbraw/zinc/62/96/11/991629611.db2.gz BYDBVSQJXXDNDJ-UHFFFAOYSA-N 1 2 248.286 1.033 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(C)c1 ZINC001140574682 991672631 /nfs/dbraw/zinc/67/26/31/991672631.db2.gz NMIPLBMOKWGNGS-LBPRGKRZSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)c(C)c1 ZINC001140574682 991672636 /nfs/dbraw/zinc/67/26/36/991672636.db2.gz NMIPLBMOKWGNGS-LBPRGKRZSA-N 1 2 249.310 1.838 20 0 BDADLO C[C@H](Cc1ccno1)[NH2+][C@@H](C)C(F)F ZINC001560983391 991677081 /nfs/dbraw/zinc/67/70/81/991677081.db2.gz BBPYCHSWMITQTN-RQJHMYQMSA-N 1 2 204.220 1.849 20 0 BDADLO CCc1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)[nH]n1 ZINC001318738866 991710645 /nfs/dbraw/zinc/71/06/45/991710645.db2.gz HTOCQZLYSUHPEF-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CCc1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC001318738866 991710655 /nfs/dbraw/zinc/71/06/55/991710655.db2.gz HTOCQZLYSUHPEF-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CCc1[nH]c(CNC(=O)N(CC)C(C)C)c[nH+]1 ZINC001561987679 991733777 /nfs/dbraw/zinc/73/37/77/991733777.db2.gz IEOQGXKTSXJBMC-UHFFFAOYSA-N 1 2 238.335 1.912 20 0 BDADLO CCc1[nH]cc(CNC(=O)N(CC)C(C)C)[nH+]1 ZINC001561987679 991733782 /nfs/dbraw/zinc/73/37/82/991733782.db2.gz IEOQGXKTSXJBMC-UHFFFAOYSA-N 1 2 238.335 1.912 20 0 BDADLO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258781833 991753602 /nfs/dbraw/zinc/75/36/02/991753602.db2.gz GFMVGXKLHXZZOR-IRCOFANPSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)NCc1ccc[nH+]c1N ZINC001563977886 991757576 /nfs/dbraw/zinc/75/75/76/991757576.db2.gz LUIPBATYXULMFO-GXSJLCMTSA-N 1 2 248.330 1.652 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC001318997347 991762771 /nfs/dbraw/zinc/76/27/71/991762771.db2.gz TWZVLAJENSJYMS-MXWKQRLJSA-N 1 2 221.304 1.559 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001566151503 991826158 /nfs/dbraw/zinc/82/61/58/991826158.db2.gz SGSCVXXXFXCCLJ-BDAKNGLRSA-N 1 2 241.241 1.066 20 0 BDADLO Cc1ncc(NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001566670535 991866426 /nfs/dbraw/zinc/86/64/26/991866426.db2.gz XMSPHRYARYFKBB-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC001319757145 991969557 /nfs/dbraw/zinc/96/95/57/991969557.db2.gz WVBCZXROQUIBSB-GRYCIOLGSA-N 1 2 235.331 1.949 20 0 BDADLO CC[C@@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001567822940 992104197 /nfs/dbraw/zinc/10/41/97/992104197.db2.gz QBLOTRUQOAUMGE-SECBINFHSA-N 1 2 216.300 1.050 20 0 BDADLO CC[C@@H](C)S(=O)(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001260751511 992164310 /nfs/dbraw/zinc/16/43/10/992164310.db2.gz FCCYETTUKSJNLH-SECBINFHSA-N 1 2 248.392 1.187 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCOCC1 ZINC001261087449 992175921 /nfs/dbraw/zinc/17/59/21/992175921.db2.gz PMUXCJUOWDAGPU-JTQLQIEISA-N 1 2 237.303 1.028 20 0 BDADLO Cc1nnc(SCc2c[nH+]cn2C)o1 ZINC001320501724 992223826 /nfs/dbraw/zinc/22/38/26/992223826.db2.gz XAGVWFZZTOCNQX-UHFFFAOYSA-N 1 2 210.262 1.404 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCCOCC1)n1cc[nH+]c1 ZINC001320663658 992297075 /nfs/dbraw/zinc/29/70/75/992297075.db2.gz PNKUZBGFOLZGIS-GHMZBOCLSA-N 1 2 237.303 1.129 20 0 BDADLO COC/C(C)=C\c1nnc(C[NH+](C)C)o1 ZINC001261575859 992396844 /nfs/dbraw/zinc/39/68/44/992396844.db2.gz WKRMFMPAYANUKB-YVMONPNESA-N 1 2 211.265 1.181 20 0 BDADLO CON(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001261728227 992468200 /nfs/dbraw/zinc/46/82/00/992468200.db2.gz NILNEYISBHKGNR-SNVBAGLBSA-N 1 2 237.303 1.244 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c(Cl)n1 ZINC001261765017 992499745 /nfs/dbraw/zinc/49/97/45/992499745.db2.gz VUDXIGFTJUYOHB-VIFPVBQESA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c(Cl)n1 ZINC001261765017 992499759 /nfs/dbraw/zinc/49/97/59/992499759.db2.gz VUDXIGFTJUYOHB-VIFPVBQESA-N 1 2 241.722 1.030 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)co2)CCO1 ZINC001262108995 992678163 /nfs/dbraw/zinc/67/81/63/992678163.db2.gz GCFRSODOZWWZGY-LBPRGKRZSA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)co2)CCO1 ZINC001262108995 992678183 /nfs/dbraw/zinc/67/81/83/992678183.db2.gz GCFRSODOZWWZGY-LBPRGKRZSA-N 1 2 225.288 1.435 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ocnc2C)[C@H](C)CO1 ZINC001262111675 992680091 /nfs/dbraw/zinc/68/00/91/992680091.db2.gz MHPKFNFFYZGDHM-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ocnc2C)[C@H](C)CO1 ZINC001262111675 992680097 /nfs/dbraw/zinc/68/00/97/992680097.db2.gz MHPKFNFFYZGDHM-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cnnn1C ZINC001262205077 992799170 /nfs/dbraw/zinc/79/91/70/992799170.db2.gz JTWNFPXDMJLMGY-ZJUUUORDSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@H](C(=O)N1CCCC(=O)[C@H]1C)n1cc[nH+]c1 ZINC001262342842 992847652 /nfs/dbraw/zinc/84/76/52/992847652.db2.gz CQHPRZWXFXJXNL-NXEZZACHSA-N 1 2 235.287 1.024 20 0 BDADLO CCc1cc(NC/C=C/CO)nc(CC)[nH+]1 ZINC001262371893 992865511 /nfs/dbraw/zinc/86/55/11/992865511.db2.gz ZBSMMDHNBDQBSK-AATRIKPKSA-N 1 2 221.304 1.562 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1(C)CC1 ZINC001262651908 993001760 /nfs/dbraw/zinc/00/17/60/993001760.db2.gz SCLWOFSOTYBCJU-OPRDCNLKSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1(C)CC1 ZINC001262651908 993001766 /nfs/dbraw/zinc/00/17/66/993001766.db2.gz SCLWOFSOTYBCJU-OPRDCNLKSA-N 1 2 233.315 1.818 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC001262805271 993068212 /nfs/dbraw/zinc/06/82/12/993068212.db2.gz LGWXPCMKHOONKW-GRYCIOLGSA-N 1 2 248.326 1.872 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1c[nH]nn1)C1CCCCC1 ZINC001575658511 993092004 /nfs/dbraw/zinc/09/20/04/993092004.db2.gz NYFXUJHIJCKKLS-JOYOIKCWSA-N 1 2 238.335 1.397 20 0 BDADLO [NH3+][C@H](CC(=O)N1CCCC12CCC2)C(F)F ZINC001263198341 993161378 /nfs/dbraw/zinc/16/13/78/993161378.db2.gz VZSMUQDWBQSAOQ-MRVPVSSYSA-N 1 2 232.274 1.514 20 0 BDADLO CC(C)[NH+]1CC(N[C@H]2CCC[N@H+](C)CC2)C1 ZINC000379228582 993232959 /nfs/dbraw/zinc/23/29/59/993232959.db2.gz YCEZQBIENSGRNM-LBPRGKRZSA-N 1 2 225.380 1.153 20 0 BDADLO CNc1cc(N2CCC[C@@H]2C[C@@H](C)O)nc[nH+]1 ZINC000379931654 993300153 /nfs/dbraw/zinc/30/01/53/993300153.db2.gz UVQFBHJGOCITRH-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N2CCC[C@@H]2C[C@@H](C)O)[nH+]cn1 ZINC000379931654 993300164 /nfs/dbraw/zinc/30/01/64/993300164.db2.gz UVQFBHJGOCITRH-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CN(C)c1cc(COC(=O)[C@@H]2C[C@@H]2F)cc[nH+]1 ZINC001263446841 993320547 /nfs/dbraw/zinc/32/05/47/993320547.db2.gz DEQDCDVWQAYDAU-ZJUUUORDSA-N 1 2 238.262 1.549 20 0 BDADLO COC(=O)C[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC000381329010 993384898 /nfs/dbraw/zinc/38/48/98/993384898.db2.gz SFGGHIQXUVIZFX-NSHDSACASA-N 1 2 221.300 1.689 20 0 BDADLO Nc1cccc(CN2CCOCC23CC3)[nH+]1 ZINC000381433464 993395573 /nfs/dbraw/zinc/39/55/73/993395573.db2.gz XJNIARRKXJKTMQ-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO CSC[C@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC000381578240 993407308 /nfs/dbraw/zinc/40/73/08/993407308.db2.gz ZFVIMONPSZLMDC-VIFPVBQESA-N 1 2 238.360 1.638 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001263808496 993531619 /nfs/dbraw/zinc/53/16/19/993531619.db2.gz DCMOVISOZMVHDW-IWIIMEHWSA-N 1 2 233.315 1.267 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1snnc1C ZINC000384165619 993550025 /nfs/dbraw/zinc/55/00/25/993550025.db2.gz LEIJDSHTYWDMQC-UHFFFAOYSA-N 1 2 241.345 1.296 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001263921709 993608547 /nfs/dbraw/zinc/60/85/47/993608547.db2.gz CQACPCQSWDJQTM-WRWGMCAJSA-N 1 2 247.342 1.371 20 0 BDADLO C[C@@H]1[C@H](CO)CCN1c1cc(N)cc(Cl)[nH+]1 ZINC000385737889 993668644 /nfs/dbraw/zinc/66/86/44/993668644.db2.gz BKXDSILXCHZAQX-SFYZADRCSA-N 1 2 241.722 1.524 20 0 BDADLO CN(C)c1ccc(Nc2nccnc2Cl)c[nH+]1 ZINC000387185759 993701843 /nfs/dbraw/zinc/70/18/43/993701843.db2.gz LIZBCVMPKBHTFK-UHFFFAOYSA-N 1 2 249.705 1.757 20 0 BDADLO CC(C)[C@](C)(Nc1cccc[nH+]1)C(N)=O ZINC000389596949 993754270 /nfs/dbraw/zinc/75/42/70/993754270.db2.gz QGHQCLHOPKSNNN-NSHDSACASA-N 1 2 207.277 1.394 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2nc(C)cc(C)n2)C1 ZINC000700514779 993839007 /nfs/dbraw/zinc/83/90/07/993839007.db2.gz FGZYYJXDZPDXQT-CYBMUJFWSA-N 1 2 247.342 1.894 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)cc(C)n2)C1 ZINC000700514779 993839010 /nfs/dbraw/zinc/83/90/10/993839010.db2.gz FGZYYJXDZPDXQT-CYBMUJFWSA-N 1 2 247.342 1.894 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+]Cc1ccccn1)CC2 ZINC000393269968 993926897 /nfs/dbraw/zinc/92/68/97/993926897.db2.gz QPNMAGSPIACIKQ-NSHDSACASA-N 1 2 214.272 1.513 20 0 BDADLO COCC[N@H+](Cc1cn[nH]c1C)C(C)C ZINC000724786018 994073441 /nfs/dbraw/zinc/07/34/41/994073441.db2.gz OVPXRLNBXLTHIX-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO COCC[N@@H+](Cc1cn[nH]c1C)C(C)C ZINC000724786018 994073453 /nfs/dbraw/zinc/07/34/53/994073453.db2.gz OVPXRLNBXLTHIX-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1ncnn1C ZINC001332947117 994408997 /nfs/dbraw/zinc/40/89/97/994408997.db2.gz SYVRNDYOZJMPTC-VHSXEESVSA-N 1 2 246.318 1.325 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(Cl)nc1 ZINC001290622168 994552837 /nfs/dbraw/zinc/55/28/37/994552837.db2.gz QDZSZNVPQJSFLB-UHFFFAOYSA-N 1 2 236.662 1.639 20 0 BDADLO C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593268180 994594231 /nfs/dbraw/zinc/59/42/31/994594231.db2.gz UFHLPVOOLBCNBG-YFKTTZPYSA-N 1 2 240.347 1.170 20 0 BDADLO C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593268180 994594238 /nfs/dbraw/zinc/59/42/38/994594238.db2.gz UFHLPVOOLBCNBG-YFKTTZPYSA-N 1 2 240.347 1.170 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@]1(F)CCOC1 ZINC001334740463 994627269 /nfs/dbraw/zinc/62/72/69/994627269.db2.gz QNGXLJFMOXJKBR-GFCCVEGCSA-N 1 2 249.245 1.401 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C[C@@H]1F ZINC001334983433 994661162 /nfs/dbraw/zinc/66/11/62/994661162.db2.gz XLUQOPJLSURRBV-ZJUUUORDSA-N 1 2 238.310 1.727 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C[C@@H]1F ZINC001334983433 994661165 /nfs/dbraw/zinc/66/11/65/994661165.db2.gz XLUQOPJLSURRBV-ZJUUUORDSA-N 1 2 238.310 1.727 20 0 BDADLO CO[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001294406511 994692066 /nfs/dbraw/zinc/69/20/66/994692066.db2.gz KAPPBJPWGVOSSE-SNVBAGLBSA-N 1 2 245.282 1.195 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CCC1 ZINC001296034074 994798627 /nfs/dbraw/zinc/79/86/27/994798627.db2.gz RQBUPNVAMLKJNE-QMMMGPOBSA-N 1 2 221.304 1.565 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](F)C1)n1cc[nH+]c1 ZINC001298249526 994914602 /nfs/dbraw/zinc/91/46/02/994914602.db2.gz CELPELHUPWHKKB-DTWKUNHWSA-N 1 2 211.240 1.015 20 0 BDADLO Cc1ccncc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001298279785 994915212 /nfs/dbraw/zinc/91/52/12/994915212.db2.gz NJJFVLYLGHJGQU-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1ccncc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001298279785 994915216 /nfs/dbraw/zinc/91/52/16/994915216.db2.gz NJJFVLYLGHJGQU-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001299038665 994969577 /nfs/dbraw/zinc/96/95/77/994969577.db2.gz SNTFFPUJAJGIGP-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001299038665 994969594 /nfs/dbraw/zinc/96/95/94/994969594.db2.gz SNTFFPUJAJGIGP-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1oncc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001304113259 995192277 /nfs/dbraw/zinc/19/22/77/995192277.db2.gz LHTJDSPNYIQNAG-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1oncc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001304113259 995192287 /nfs/dbraw/zinc/19/22/87/995192287.db2.gz LHTJDSPNYIQNAG-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO COc1cc(C(=O)Nc2c(C)c[nH+]cc2C)on1 ZINC001339101928 995251710 /nfs/dbraw/zinc/25/17/10/995251710.db2.gz FHQCVHACBUVPEP-UHFFFAOYSA-N 1 2 247.254 1.369 20 0 BDADLO CCCCCC[C@](C)([NH2+]CCO)C(=O)OCC ZINC001307483029 995380610 /nfs/dbraw/zinc/38/06/10/995380610.db2.gz RRXZUGWGLLNZDJ-ZDUSSCGKSA-N 1 2 245.363 1.861 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC001307648209 995422421 /nfs/dbraw/zinc/42/24/21/995422421.db2.gz LHTXMHYYOQSTGK-SVRRBLITSA-N 1 2 230.262 1.761 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC001307648209 995422426 /nfs/dbraw/zinc/42/24/26/995422426.db2.gz LHTXMHYYOQSTGK-SVRRBLITSA-N 1 2 230.262 1.761 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCCc3occc32)n1 ZINC000286920788 398135893 /nfs/dbraw/zinc/13/58/93/398135893.db2.gz FPLRHPKUGQWIHT-NSHDSACASA-N 1 2 232.287 1.575 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CSC)[nH+]1 ZINC000602104008 349442223 /nfs/dbraw/zinc/44/22/23/349442223.db2.gz SDPPYSGRNFEDCX-QMMMGPOBSA-N 1 2 241.360 1.382 20 0 BDADLO CC[N@H+](Cc1nn(C)c(C)c1Cl)[C@H](C)CO ZINC000421355661 192321465 /nfs/dbraw/zinc/32/14/65/192321465.db2.gz JFFCWQOCHPUTDM-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO CC[N@@H+](Cc1nn(C)c(C)c1Cl)[C@H](C)CO ZINC000421355661 192321466 /nfs/dbraw/zinc/32/14/66/192321466.db2.gz JFFCWQOCHPUTDM-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1cc(N2CCC[C@@H]2C(N)=O)nc(C2CC2)[nH+]1 ZINC000408180124 136212091 /nfs/dbraw/zinc/21/20/91/136212091.db2.gz MUCMGSIDNPYHNM-SNVBAGLBSA-N 1 2 246.314 1.117 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649864076 398144937 /nfs/dbraw/zinc/14/49/37/398144937.db2.gz YNTXWPNCUWRTBM-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649864076 398144940 /nfs/dbraw/zinc/14/49/40/398144940.db2.gz YNTXWPNCUWRTBM-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO Cc1ccc(C)c(C[NH+]2CCS(=O)CC2)c1 ZINC000112599935 398145506 /nfs/dbraw/zinc/14/55/06/398145506.db2.gz ADSAQXVIXOZGBD-UHFFFAOYSA-N 1 2 237.368 1.868 20 0 BDADLO CCO[C@@H](C)c1nccn1Cc1[nH+]ccn1C ZINC000155668278 136213264 /nfs/dbraw/zinc/21/32/64/136213264.db2.gz UTNRQJYKBANUBO-JTQLQIEISA-N 1 2 234.303 1.762 20 0 BDADLO CCC(CC)(CO)C[NH2+]Cc1ccn[nH]1 ZINC000088176104 168328441 /nfs/dbraw/zinc/32/84/41/168328441.db2.gz MEBLORWAPKQUPE-UHFFFAOYSA-N 1 2 211.309 1.298 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCO[C@H]1C(C)C ZINC000572899645 398148415 /nfs/dbraw/zinc/14/84/15/398148415.db2.gz GDCBGWCLONAVTD-STQMWFEESA-N 1 2 249.358 1.988 20 0 BDADLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC1 ZINC000299220805 398149455 /nfs/dbraw/zinc/14/94/55/398149455.db2.gz LMCQZHUWLDMHDF-UHFFFAOYSA-N 1 2 228.255 1.113 20 0 BDADLO Cc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)nn1C ZINC000336662265 178006098 /nfs/dbraw/zinc/00/60/98/178006098.db2.gz IWEHBAHBOOROOB-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)ncn1 ZINC000291995265 178006410 /nfs/dbraw/zinc/00/64/10/178006410.db2.gz AVPLYVBNXIGSAC-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)ncn1 ZINC000291995265 178006412 /nfs/dbraw/zinc/00/64/12/178006412.db2.gz AVPLYVBNXIGSAC-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421375235 192323393 /nfs/dbraw/zinc/32/33/93/192323393.db2.gz CHVHQNXAXMJHPL-SECBINFHSA-N 1 2 245.754 1.585 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000649899444 398169136 /nfs/dbraw/zinc/16/91/36/398169136.db2.gz GAYLIZPTTNNYDI-JTQLQIEISA-N 1 2 243.257 1.863 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000649899444 398169137 /nfs/dbraw/zinc/16/91/37/398169137.db2.gz GAYLIZPTTNNYDI-JTQLQIEISA-N 1 2 243.257 1.863 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NCC(C)C)nc1 ZINC000649897009 398169653 /nfs/dbraw/zinc/16/96/53/398169653.db2.gz FSXAUQIKFOXWLB-UHFFFAOYSA-N 1 2 249.358 1.594 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NCC(C)C)nc1 ZINC000649897009 398169655 /nfs/dbraw/zinc/16/96/55/398169655.db2.gz FSXAUQIKFOXWLB-UHFFFAOYSA-N 1 2 249.358 1.594 20 0 BDADLO CO[C@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000563425789 398170998 /nfs/dbraw/zinc/17/09/98/398170998.db2.gz RKTMXVVRFJMTAP-SECBINFHSA-N 1 2 209.293 1.565 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CO)c2ccccc2)no1 ZINC000182910948 178031252 /nfs/dbraw/zinc/03/12/52/178031252.db2.gz RDGGURUIDPOGAJ-ZDUSSCGKSA-N 1 2 232.283 1.806 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)n(C)n1 ZINC000284288737 178031260 /nfs/dbraw/zinc/03/12/60/178031260.db2.gz UDNZGBAIABALEI-NSHDSACASA-N 1 2 247.346 1.621 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)on1 ZINC000282042239 178031629 /nfs/dbraw/zinc/03/16/29/178031629.db2.gz GAVWPOMWHUNNAF-JTQLQIEISA-N 1 2 234.303 1.876 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CCO)c2ccco2)nn1C ZINC000346145244 178032018 /nfs/dbraw/zinc/03/20/18/178032018.db2.gz BNNRIVUXTZSBBF-LBPRGKRZSA-N 1 2 249.314 1.535 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CO)c2ccsc2)no1 ZINC000336731007 178032238 /nfs/dbraw/zinc/03/22/38/178032238.db2.gz IPZSNAHHHJDBTG-NSHDSACASA-N 1 2 238.312 1.868 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)no1 ZINC000336678723 178032292 /nfs/dbraw/zinc/03/22/92/178032292.db2.gz IFNKNHZOGWQXJF-QMMMGPOBSA-N 1 2 206.249 1.557 20 0 BDADLO CCC(CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290962238 168336342 /nfs/dbraw/zinc/33/63/42/168336342.db2.gz RUDXHLKLKOICLY-UHFFFAOYSA-N 1 2 221.304 1.662 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649904644 398176854 /nfs/dbraw/zinc/17/68/54/398176854.db2.gz JZBNWXBUBMFOLS-VIFPVBQESA-N 1 2 228.246 1.046 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649904644 398176855 /nfs/dbraw/zinc/17/68/55/398176855.db2.gz JZBNWXBUBMFOLS-VIFPVBQESA-N 1 2 228.246 1.046 20 0 BDADLO CC[C@H](NC(=O)CC[C@H](C)OC)c1[nH]cc[nH+]1 ZINC000140646895 349513433 /nfs/dbraw/zinc/51/34/33/349513433.db2.gz OVOQZHVWKHKDOG-UWVGGRQHSA-N 1 2 239.319 1.792 20 0 BDADLO CC(C)C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882207 398162170 /nfs/dbraw/zinc/16/21/70/398162170.db2.gz MHFHJMJNFYKELD-GFCCVEGCSA-N 1 2 223.320 1.449 20 0 BDADLO CC(C)C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882207 398162177 /nfs/dbraw/zinc/16/21/77/398162177.db2.gz MHFHJMJNFYKELD-GFCCVEGCSA-N 1 2 223.320 1.449 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1[C@H]1C=CCCC1 ZINC000649883303 398162459 /nfs/dbraw/zinc/16/24/59/398162459.db2.gz PPJFPWJAEMOPNU-JSGCOSHPSA-N 1 2 247.342 1.902 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1[C@H]1C=CCCC1 ZINC000649883303 398162465 /nfs/dbraw/zinc/16/24/65/398162465.db2.gz PPJFPWJAEMOPNU-JSGCOSHPSA-N 1 2 247.342 1.902 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CC1(C)CCC1 ZINC000649884861 398163737 /nfs/dbraw/zinc/16/37/37/398163737.db2.gz BZCFAPIGXILHKI-ZDUSSCGKSA-N 1 2 249.358 1.984 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CC1(C)CCC1 ZINC000649884861 398163740 /nfs/dbraw/zinc/16/37/40/398163740.db2.gz BZCFAPIGXILHKI-ZDUSSCGKSA-N 1 2 249.358 1.984 20 0 BDADLO C[N@@H+]1CCc2ncnc(N3CC[C@@H]3C3CC3)c2C1 ZINC000450640920 398163761 /nfs/dbraw/zinc/16/37/61/398163761.db2.gz DRBOJGRMCKWDHM-CYBMUJFWSA-N 1 2 244.342 1.453 20 0 BDADLO C[N@H+]1CCc2ncnc(N3CC[C@@H]3C3CC3)c2C1 ZINC000450640920 398163765 /nfs/dbraw/zinc/16/37/65/398163765.db2.gz DRBOJGRMCKWDHM-CYBMUJFWSA-N 1 2 244.342 1.453 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CCCCF ZINC000649885720 398164728 /nfs/dbraw/zinc/16/47/28/398164728.db2.gz YOLVHBWILRFPHN-GFCCVEGCSA-N 1 2 241.310 1.543 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CCCCF ZINC000649885720 398164733 /nfs/dbraw/zinc/16/47/33/398164733.db2.gz YOLVHBWILRFPHN-GFCCVEGCSA-N 1 2 241.310 1.543 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421375235 192323391 /nfs/dbraw/zinc/32/33/91/192323391.db2.gz CHVHQNXAXMJHPL-SECBINFHSA-N 1 2 245.754 1.585 20 0 BDADLO CC1(C)C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2O1 ZINC000649911137 398186151 /nfs/dbraw/zinc/18/61/51/398186151.db2.gz OWDZNIBXSJMDOF-CHWSQXEVSA-N 1 2 248.326 1.460 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2O1 ZINC000649911137 398186155 /nfs/dbraw/zinc/18/61/55/398186155.db2.gz OWDZNIBXSJMDOF-CHWSQXEVSA-N 1 2 248.326 1.460 20 0 BDADLO CCC(CC)C(=O)NCc1[nH+]ccn1CC ZINC000295567523 168338373 /nfs/dbraw/zinc/33/83/73/168338373.db2.gz FZMDIUNAJQKSKY-UHFFFAOYSA-N 1 2 223.320 1.955 20 0 BDADLO Cc1cc(N(C)C[C@@H](C)O)nc(C(C)C)[nH+]1 ZINC000051820925 178098310 /nfs/dbraw/zinc/09/83/10/178098310.db2.gz KXFLFBSUSCTXOK-SNVBAGLBSA-N 1 2 223.320 1.725 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000302043679 178098467 /nfs/dbraw/zinc/09/84/67/178098467.db2.gz MEBPIGJZYSVTOX-RYUDHWBXSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1cc(N)nc(SCCc2ccnn2C)[nH+]1 ZINC000230764186 178109427 /nfs/dbraw/zinc/10/94/27/178109427.db2.gz AEYOPUQWFDXGNW-UHFFFAOYSA-N 1 2 249.343 1.436 20 0 BDADLO Cc1cc(N2CC(O)C2)nc(-c2ccncc2)[nH+]1 ZINC000112079856 178113316 /nfs/dbraw/zinc/11/33/16/178113316.db2.gz WSOJYJXEKCMHDU-UHFFFAOYSA-N 1 2 242.282 1.028 20 0 BDADLO Cc1cc(NC(=O)NCCOC(C)C)cc[nH+]1 ZINC000183437327 178138575 /nfs/dbraw/zinc/13/85/75/178138575.db2.gz UNPHUGAKVSNHBB-UHFFFAOYSA-N 1 2 237.303 1.937 20 0 BDADLO Cc1cc(N2CC[C@@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000051886282 178118404 /nfs/dbraw/zinc/11/84/04/178118404.db2.gz JOQNDNGAPMTTSC-LLVKDONJSA-N 1 2 235.331 1.727 20 0 BDADLO Cc1cc(NC(=O)NCC[C@@H](C)O)cc[nH+]1 ZINC000271179958 178139485 /nfs/dbraw/zinc/13/94/85/178139485.db2.gz ZWAGCWFALALHCI-SECBINFHSA-N 1 2 223.276 1.282 20 0 BDADLO Cc1cc(N2CC[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000265288293 178120027 /nfs/dbraw/zinc/12/00/27/178120027.db2.gz AVUZDRSRYBPTBM-JTQLQIEISA-N 1 2 219.288 1.233 20 0 BDADLO Cc1cc(NC(=O)NC2(CO)CCCC2)cc[nH+]1 ZINC000305717051 178139498 /nfs/dbraw/zinc/13/94/98/178139498.db2.gz HVZAWFRTUMZQST-UHFFFAOYSA-N 1 2 249.314 1.817 20 0 BDADLO Cc1cc(NC(=O)C2(O)CCC2)cc[nH+]1 ZINC000186026232 178124905 /nfs/dbraw/zinc/12/49/05/178124905.db2.gz CGFURKIFSOVZGG-UHFFFAOYSA-N 1 2 206.245 1.244 20 0 BDADLO Cc1cc(NC(=O)Cc2cnn(C)c2)cc[nH+]1 ZINC000171239542 178134844 /nfs/dbraw/zinc/13/48/44/178134844.db2.gz FXVXPZOXMRHKHH-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000163092839 538926445 /nfs/dbraw/zinc/92/64/45/538926445.db2.gz LKMUMMQXUAMLTI-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(F)F ZINC000163092839 538926447 /nfs/dbraw/zinc/92/64/47/538926447.db2.gz LKMUMMQXUAMLTI-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1cc(NC(=O)NCCn2cccn2)cc[nH+]1 ZINC000120128482 178139937 /nfs/dbraw/zinc/13/99/37/178139937.db2.gz SJBFQNWKNXODKL-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO Cc1cc(NC(=O)NN2CCCC2)cc[nH+]1 ZINC000294264429 178140399 /nfs/dbraw/zinc/14/03/99/178140399.db2.gz QQLVEFHPCWEUJV-UHFFFAOYSA-N 1 2 220.276 1.522 20 0 BDADLO Cc1cc(NC(=O)NCc2nccn2C)cc[nH+]1 ZINC000271167127 178140835 /nfs/dbraw/zinc/14/08/35/178140835.db2.gz XCPCKLHTRFCKPZ-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cc1cc(NC(=O)[C@H](O)C(C)C)cc[nH+]1 ZINC000285958605 178147791 /nfs/dbraw/zinc/14/77/91/178147791.db2.gz NAZLRCUFSRKNLL-SNVBAGLBSA-N 1 2 208.261 1.345 20 0 BDADLO Cc1cc(NC[C@@H](O)C(C)(C)C)nc[nH+]1 ZINC000301247744 178165247 /nfs/dbraw/zinc/16/52/47/178165247.db2.gz QSHUVGYZVONKKP-SECBINFHSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCCC(=O)N2)cc[nH+]1 ZINC000194103630 178148272 /nfs/dbraw/zinc/14/82/72/178148272.db2.gz FCKCYBXAUMOJFU-LLVKDONJSA-N 1 2 247.298 1.387 20 0 BDADLO Cc1cc(NC(=O)c2cc3n(n2)CCO3)cc[nH+]1 ZINC000289457620 178150100 /nfs/dbraw/zinc/15/01/00/178150100.db2.gz FUDCHILFDQGBPR-UHFFFAOYSA-N 1 2 244.254 1.231 20 0 BDADLO Cc1cc(NC(=O)c2cccc(=O)n2C)cc[nH+]1 ZINC000120758817 178150307 /nfs/dbraw/zinc/15/03/07/178150307.db2.gz KNMUCSYJUWWHDC-UHFFFAOYSA-N 1 2 243.266 1.341 20 0 BDADLO Cc1cc(NC(C)(CO)CO)nc(C(C)C)[nH+]1 ZINC000129921634 178153178 /nfs/dbraw/zinc/15/31/78/178153178.db2.gz KKRMDVCBQOTNRO-UHFFFAOYSA-N 1 2 239.319 1.064 20 0 BDADLO Cc1cc(NCC(F)(F)CO)nc(C2CC2)[nH+]1 ZINC000184090052 178156295 /nfs/dbraw/zinc/15/62/95/178156295.db2.gz BGSXIZGKIZHOIO-UHFFFAOYSA-N 1 2 243.257 1.702 20 0 BDADLO Cc1cc(NCCCC(C)(C)CO)nc[nH+]1 ZINC000301386920 178158720 /nfs/dbraw/zinc/15/87/20/178158720.db2.gz CYGPCQSSMVOKJE-UHFFFAOYSA-N 1 2 223.320 1.996 20 0 BDADLO Cc1cc(NCCCN2CCCC2=O)nc[nH+]1 ZINC000301205006 178159546 /nfs/dbraw/zinc/15/95/46/178159546.db2.gz PGWOEDNDABUYOE-UHFFFAOYSA-N 1 2 234.303 1.209 20 0 BDADLO Cc1cc(NCC[C@@H](C)[S@](C)=O)nc[nH+]1 ZINC000133132483 178161973 /nfs/dbraw/zinc/16/19/73/178161973.db2.gz RKPAGMHPOLRAQP-RFAUZJTJSA-N 1 2 227.333 1.354 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000429789904 398225396 /nfs/dbraw/zinc/22/53/96/398225396.db2.gz SBRZAQUGXSYNLX-MNOVXSKESA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cc(NC[C@]2(O)CCOC2)nc(C2CC2)[nH+]1 ZINC000178961820 178169623 /nfs/dbraw/zinc/16/96/23/178169623.db2.gz USTAUGYCHNHWCZ-CYBMUJFWSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(NC[C@H]2CCC[C@H](CO)C2)nc[nH+]1 ZINC000310260731 178170404 /nfs/dbraw/zinc/17/04/04/178170404.db2.gz GHZOAPAHZNWSQJ-RYUDHWBXSA-N 1 2 235.331 1.996 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C)CCC1 ZINC000426745551 398220665 /nfs/dbraw/zinc/22/06/65/398220665.db2.gz UYDGWIZXYGTLLZ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C)CCC1 ZINC000426745551 398220667 /nfs/dbraw/zinc/22/06/67/398220667.db2.gz UYDGWIZXYGTLLZ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)n(C)n1 ZINC000309856313 178172096 /nfs/dbraw/zinc/17/20/96/178172096.db2.gz KLULINWIWRDVTF-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1cc(NCc2ccncc2)nc[nH+]1 ZINC000040431436 178174262 /nfs/dbraw/zinc/17/42/62/178174262.db2.gz SNABTMQMGRPJGS-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1cc(NCc2nnc(N)o2)nc(C2CC2)[nH+]1 ZINC000289236479 178176170 /nfs/dbraw/zinc/17/61/70/178176170.db2.gz YWKIEWJDLUCCET-UHFFFAOYSA-N 1 2 246.274 1.240 20 0 BDADLO Cc1cc(N[C@@H](CO)CC(F)F)nc[nH+]1 ZINC000309068342 178179986 /nfs/dbraw/zinc/17/99/86/178179986.db2.gz AMTSHAWWDNGQNY-SSDOTTSWSA-N 1 2 217.219 1.213 20 0 BDADLO Cc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ncn1 ZINC000329744077 178182290 /nfs/dbraw/zinc/18/22/90/178182290.db2.gz XPJRESIEISEMLH-SECBINFHSA-N 1 2 229.287 1.478 20 0 BDADLO Cc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000329744077 178182292 /nfs/dbraw/zinc/18/22/92/178182292.db2.gz XPJRESIEISEMLH-SECBINFHSA-N 1 2 229.287 1.478 20 0 BDADLO Cc1cc(N[C@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000127231487 178186442 /nfs/dbraw/zinc/18/64/42/178186442.db2.gz NBAXWXQTJMRHTQ-ZJUUUORDSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1cc(N[C@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000300922330 178189889 /nfs/dbraw/zinc/18/98/89/178189889.db2.gz ZQRAWTGUCSUUAF-SCZZXKLOSA-N 1 2 207.277 1.622 20 0 BDADLO Oc1cc(F)cc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421397237 192329507 /nfs/dbraw/zinc/32/95/07/192329507.db2.gz CUIJJQQJEPVMIC-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1cc(F)cc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421397237 192329509 /nfs/dbraw/zinc/32/95/09/192329509.db2.gz CUIJJQQJEPVMIC-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000276654485 538933101 /nfs/dbraw/zinc/93/31/01/538933101.db2.gz XDFCJBKCCRRTSE-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000276654485 538933103 /nfs/dbraw/zinc/93/31/03/538933103.db2.gz XDFCJBKCCRRTSE-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CCCCN(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000276712942 538933248 /nfs/dbraw/zinc/93/32/48/538933248.db2.gz ZRQLCLLJDRIVBI-UHFFFAOYSA-N 1 2 223.320 1.991 20 0 BDADLO CCCCN(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000276712942 538933251 /nfs/dbraw/zinc/93/32/51/538933251.db2.gz ZRQLCLLJDRIVBI-UHFFFAOYSA-N 1 2 223.320 1.991 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2)no1 ZINC000309781900 178228366 /nfs/dbraw/zinc/22/83/66/178228366.db2.gz NCQKKNBFTRDSSI-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cncn2C)nn1C ZINC000340399947 178229325 /nfs/dbraw/zinc/22/93/25/178229325.db2.gz GQXKUWRVVLTOIV-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)no1 ZINC000282814979 178229834 /nfs/dbraw/zinc/22/98/34/178229834.db2.gz YDOYCJWIUISOQL-SECBINFHSA-N 1 2 220.276 1.865 20 0 BDADLO CCC[C@H]([NH2+][C@@H](COC)C(C)C)C(=O)OCC ZINC000097988533 323000737 /nfs/dbraw/zinc/00/07/37/323000737.db2.gz XKCDYNNMPYYYKA-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](OC)[C@H](C)CC ZINC000602439600 349526260 /nfs/dbraw/zinc/52/62/60/349526260.db2.gz GFRLSCLJBIZFBG-GHMZBOCLSA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](OC)[C@H](C)CC ZINC000602439600 349526261 /nfs/dbraw/zinc/52/62/61/349526261.db2.gz GFRLSCLJBIZFBG-GHMZBOCLSA-N 1 2 231.336 1.542 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC000650089421 398234705 /nfs/dbraw/zinc/23/47/05/398234705.db2.gz XSAPBANUPLSNPK-QWHCGFSZSA-N 1 2 247.342 1.515 20 0 BDADLO CO[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000280120274 538936494 /nfs/dbraw/zinc/93/64/94/538936494.db2.gz LTAILKQOSMKONA-LLVKDONJSA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000280120274 538936495 /nfs/dbraw/zinc/93/64/95/538936495.db2.gz LTAILKQOSMKONA-LLVKDONJSA-N 1 2 239.319 1.130 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000280062746 538936540 /nfs/dbraw/zinc/93/65/40/538936540.db2.gz WXUWCJNNWGZOPU-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000280062746 538936541 /nfs/dbraw/zinc/93/65/41/538936541.db2.gz WXUWCJNNWGZOPU-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CCC(C)(C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000280291326 538937009 /nfs/dbraw/zinc/93/70/09/538937009.db2.gz XDPMOAXGCLBYPE-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO CCC(C)(C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000280291326 538937010 /nfs/dbraw/zinc/93/70/10/538937010.db2.gz XDPMOAXGCLBYPE-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO Cc1cc(C[NH2+]Cc2oc(C)nc2C)on1 ZINC000382206747 361782218 /nfs/dbraw/zinc/78/22/18/361782218.db2.gz NSRBKZCGGLXUMA-UHFFFAOYSA-N 1 2 221.260 1.878 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000076344785 398236051 /nfs/dbraw/zinc/23/60/51/398236051.db2.gz KXKDZAJJIZJVJO-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000076344785 398236053 /nfs/dbraw/zinc/23/60/53/398236053.db2.gz KXKDZAJJIZJVJO-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[N@@H+]1CCO[C@@H](CSCC(=O)C(C)(C)C)C1 ZINC000400940739 259305522 /nfs/dbraw/zinc/30/55/22/259305522.db2.gz ZBNJQFZRTKZCEF-SNVBAGLBSA-N 1 2 245.388 1.665 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000076344889 398236277 /nfs/dbraw/zinc/23/62/77/398236277.db2.gz GJOVXSCVHQRMTK-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[N@H+]1CCO[C@@H](CSCC(=O)C(C)(C)C)C1 ZINC000400940739 259305524 /nfs/dbraw/zinc/30/55/24/259305524.db2.gz ZBNJQFZRTKZCEF-SNVBAGLBSA-N 1 2 245.388 1.665 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000076344889 398236279 /nfs/dbraw/zinc/23/62/79/398236279.db2.gz GJOVXSCVHQRMTK-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ns1 ZINC000602437454 349524556 /nfs/dbraw/zinc/52/45/56/349524556.db2.gz YFHCOWMKWYUVGJ-JTQLQIEISA-N 1 2 240.328 1.589 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)ns1 ZINC000602437454 349524560 /nfs/dbraw/zinc/52/45/60/349524560.db2.gz YFHCOWMKWYUVGJ-JTQLQIEISA-N 1 2 240.328 1.589 20 0 BDADLO C[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2)CC[NH+]1C ZINC000162017621 349524838 /nfs/dbraw/zinc/52/48/38/349524838.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 1 2 236.363 1.298 20 0 BDADLO Cc1nn(C)c(C)c1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000278976349 538935389 /nfs/dbraw/zinc/93/53/89/538935389.db2.gz PBXJMXBKNKZPQH-QMMMGPOBSA-N 1 2 219.292 1.933 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2ccnn2C)no1 ZINC000330363989 178252563 /nfs/dbraw/zinc/25/25/63/178252563.db2.gz BLEUHQIPIQCQQG-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO C[S@@](=O)C1(CNc2cccc[nH+]2)CC1 ZINC000281567062 398237072 /nfs/dbraw/zinc/23/70/72/398237072.db2.gz CIFYICOWFKBFQJ-CQSZACIVSA-N 1 2 210.302 1.405 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)C(=O)NC(C)(C)C ZINC000285987295 538942539 /nfs/dbraw/zinc/94/25/39/538942539.db2.gz HYONSBUZODMGNQ-IUCAKERBSA-N 1 2 238.335 1.364 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)CO ZINC000090281621 178298984 /nfs/dbraw/zinc/29/89/84/178298984.db2.gz FKNZOPXCUFMESB-NSHDSACASA-N 1 2 232.283 1.308 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@@H](F)C1 ZINC000576641715 365647806 /nfs/dbraw/zinc/64/78/06/365647806.db2.gz PVFQPJZNRIJXFP-RKDXNWHRSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](F)C1 ZINC000576641715 365647814 /nfs/dbraw/zinc/64/78/14/365647814.db2.gz PVFQPJZNRIJXFP-RKDXNWHRSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@@H](F)C1 ZINC000576641710 365647893 /nfs/dbraw/zinc/64/78/93/365647893.db2.gz PVFQPJZNRIJXFP-BDAKNGLRSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](F)C1 ZINC000576641710 365647898 /nfs/dbraw/zinc/64/78/98/365647898.db2.gz PVFQPJZNRIJXFP-BDAKNGLRSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1nc(C2CC2)c[nH]1 ZINC000289314684 538945593 /nfs/dbraw/zinc/94/55/93/538945593.db2.gz HTFPMVCWVALRJY-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1nc(C2CC2)c[nH]1 ZINC000289314684 538945594 /nfs/dbraw/zinc/94/55/94/538945594.db2.gz HTFPMVCWVALRJY-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000649453750 398256543 /nfs/dbraw/zinc/25/65/43/398256543.db2.gz PRZBOMIJKXINTI-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000649453750 398256545 /nfs/dbraw/zinc/25/65/45/398256545.db2.gz PRZBOMIJKXINTI-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000649453750 398256548 /nfs/dbraw/zinc/25/65/48/398256548.db2.gz PRZBOMIJKXINTI-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000649453750 398256549 /nfs/dbraw/zinc/25/65/49/398256549.db2.gz PRZBOMIJKXINTI-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000649453750 398256552 /nfs/dbraw/zinc/25/65/52/398256552.db2.gz PRZBOMIJKXINTI-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000649453750 398256554 /nfs/dbraw/zinc/25/65/54/398256554.db2.gz PRZBOMIJKXINTI-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)C1CC1 ZINC000291162969 538947673 /nfs/dbraw/zinc/94/76/73/538947673.db2.gz HZTMCAVWUSJZEN-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OCC ZINC000147644230 398258550 /nfs/dbraw/zinc/25/85/50/398258550.db2.gz WYCKLWDHMCACHJ-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291190080 538947681 /nfs/dbraw/zinc/94/76/81/538947681.db2.gz CUNBSZHXPZNUKJ-QWRGUYRKSA-N 1 2 221.304 1.328 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2CC)C[C@@H](C)O1 ZINC000417758460 398258968 /nfs/dbraw/zinc/25/89/68/398258968.db2.gz OQOAOYCIAOFSKO-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2CC)C[C@@H](C)O1 ZINC000417758460 398258970 /nfs/dbraw/zinc/25/89/70/398258970.db2.gz OQOAOYCIAOFSKO-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1cccnc1 ZINC000291321975 538947164 /nfs/dbraw/zinc/94/71/64/538947164.db2.gz USTWXLZVIBHJGI-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291344765 538947222 /nfs/dbraw/zinc/94/72/22/538947222.db2.gz WXZFNDQURRFCPM-UWVGGRQHSA-N 1 2 249.314 1.042 20 0 BDADLO CC(C)n1cccc1C(=O)NCc1c[nH+]cn1C ZINC000291129023 538947231 /nfs/dbraw/zinc/94/72/31/538947231.db2.gz DYQGTGOWPGFGTQ-UHFFFAOYSA-N 1 2 246.314 1.733 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291462356 538947972 /nfs/dbraw/zinc/94/79/72/538947972.db2.gz OFZNVEIKDOMEBU-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO COC[C@H]([NH2+]Cc1cncnc1)c1ccc(C)o1 ZINC000177569326 538951522 /nfs/dbraw/zinc/95/15/22/538951522.db2.gz YBCRUEZYHXSJDD-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccc(CO)cc2)s1 ZINC000391898107 398265069 /nfs/dbraw/zinc/26/50/69/398265069.db2.gz CCYDKYYMIAFMIE-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO Cn1c[nH+]cc1CNc1cnn(CC2CC2)c1 ZINC000179077170 538954227 /nfs/dbraw/zinc/95/42/27/538954227.db2.gz FIKREYNGPMVYHG-UHFFFAOYSA-N 1 2 231.303 1.639 20 0 BDADLO Cn1cncc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000348734718 136235412 /nfs/dbraw/zinc/23/54/12/136235412.db2.gz KMVGXFJIYJWUST-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO Cc1[nH]c(CN(C)[C@H](C)C[S@](C)=O)[nH+]c1C ZINC000600145940 342690117 /nfs/dbraw/zinc/69/01/17/342690117.db2.gz SHPKHGODTZRBTQ-BCTVWOGZSA-N 1 2 243.376 1.225 20 0 BDADLO Cc1[nH]c(CN(C)[C@@H](C)C[S@](C)=O)[nH+]c1C ZINC000600145942 342690164 /nfs/dbraw/zinc/69/01/64/342690164.db2.gz SHPKHGODTZRBTQ-PWJLMRLQSA-N 1 2 243.376 1.225 20 0 BDADLO Cc1c[nH]c(CN2CC[C@H](C)[S@](=O)CC2)[nH+]1 ZINC000600152318 342691699 /nfs/dbraw/zinc/69/16/99/342691699.db2.gz WGVCBJNKBFAFIT-MGPLVRAMSA-N 1 2 241.360 1.061 20 0 BDADLO COC(=O)[C@@]1(C)CCCN1Cc1[nH]cc(C)[nH+]1 ZINC000600152760 342692100 /nfs/dbraw/zinc/69/21/00/342692100.db2.gz AQWMTBWEBILXTF-GFCCVEGCSA-N 1 2 237.303 1.246 20 0 BDADLO CC(C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649480183 398278128 /nfs/dbraw/zinc/27/81/28/398278128.db2.gz XDCSKPVVIQJDIP-LLVKDONJSA-N 1 2 223.320 1.997 20 0 BDADLO CC[C@H](C)N(CC(=O)OC)Cc1[nH]cc(C)[nH+]1 ZINC000600158912 342693044 /nfs/dbraw/zinc/69/30/44/342693044.db2.gz OFFWVBWWRGOKDL-JTQLQIEISA-N 1 2 239.319 1.492 20 0 BDADLO CC(C)n1ccc(C[NH+]2CCC(O)CC2)n1 ZINC000082720482 398278885 /nfs/dbraw/zinc/27/88/85/398278885.db2.gz YBENDFLITACMLC-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC(C)(F)F ZINC000600224500 342714020 /nfs/dbraw/zinc/71/40/20/342714020.db2.gz NMOCAWJXHDQADY-UHFFFAOYSA-N 1 2 231.246 1.804 20 0 BDADLO CCO[C@@H](CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000600224063 342714026 /nfs/dbraw/zinc/71/40/26/342714026.db2.gz QMQBWWZZINGWIG-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccno2)cn1 ZINC000231881797 342742712 /nfs/dbraw/zinc/74/27/12/342742712.db2.gz NYMHKHHJRJIDFX-UHFFFAOYSA-N 1 2 220.276 1.571 20 0 BDADLO CS[C@@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583940136 342728988 /nfs/dbraw/zinc/72/89/88/342728988.db2.gz RDIPYJRRDDDZFE-QMMMGPOBSA-N 1 2 241.360 1.903 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](C)CO)o1 ZINC000678045075 488179655 /nfs/dbraw/zinc/17/96/55/488179655.db2.gz KRDIOGYHTGBRPO-JQWIXIFHSA-N 1 2 239.315 1.590 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](C)CO)o1 ZINC000678045075 488179658 /nfs/dbraw/zinc/17/96/58/488179658.db2.gz KRDIOGYHTGBRPO-JQWIXIFHSA-N 1 2 239.315 1.590 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC(O)CC2)[nH+]1 ZINC000348743103 136237427 /nfs/dbraw/zinc/23/74/27/136237427.db2.gz NEPGBDWJILMVNR-UHFFFAOYSA-N 1 2 232.287 1.227 20 0 BDADLO O=c1c2c([nH]n1-c1cccc(Cl)c1)CC[NH2+]C2 ZINC000634583268 342800345 /nfs/dbraw/zinc/80/03/45/342800345.db2.gz PVGOPMGXAZWDQH-SNVBAGLBSA-N 1 2 249.701 1.652 20 0 BDADLO CC(C)(C)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000074902460 342783039 /nfs/dbraw/zinc/78/30/39/342783039.db2.gz YXKNWEMSDWWWDE-UHFFFAOYSA-N 1 2 222.292 1.207 20 0 BDADLO C[C@@](O)(C[C@H](O)C[N@@H+]1CCC=C(F)C1)C1CC1 ZINC000630041104 361908610 /nfs/dbraw/zinc/90/86/10/361908610.db2.gz DUBHEZCDVQFYNX-QWHCGFSZSA-N 1 2 243.322 1.458 20 0 BDADLO C[C@@](O)(C[C@H](O)C[N@H+]1CCC=C(F)C1)C1CC1 ZINC000630041104 361908613 /nfs/dbraw/zinc/90/86/13/361908613.db2.gz DUBHEZCDVQFYNX-QWHCGFSZSA-N 1 2 243.322 1.458 20 0 BDADLO Cn1cc[nH+]c1-c1ccc2c(c1)S(=O)(=O)CC2 ZINC000630051409 361914635 /nfs/dbraw/zinc/91/46/35/361914635.db2.gz AMSITPAZPFHMAA-UHFFFAOYSA-N 1 2 248.307 1.417 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2C[C@H](C(N)=O)C2)c1Cl ZINC000624541627 344003651 /nfs/dbraw/zinc/00/36/51/344003651.db2.gz UEAYUFBWWWXFOP-ZKCHVHJHSA-N 1 2 239.706 1.719 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000624676283 342817701 /nfs/dbraw/zinc/81/77/01/342817701.db2.gz WQPNONKZIDSMRP-WDEREUQCSA-N 1 2 249.314 1.773 20 0 BDADLO c1nn2ncccc2c1-c1c[nH+]c2n1CCCC2 ZINC000630053194 361922808 /nfs/dbraw/zinc/92/28/08/361922808.db2.gz NDUMTUNCWSMAOZ-UHFFFAOYSA-N 1 2 239.282 1.929 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(C(N)=O)CC1 ZINC000335607291 136238792 /nfs/dbraw/zinc/23/87/92/136238792.db2.gz JDWBLNXFOYRAAD-UHFFFAOYSA-N 1 2 248.286 1.888 20 0 BDADLO CO[C@H]1C[C@@H](C[NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000624755706 342825101 /nfs/dbraw/zinc/82/51/01/342825101.db2.gz ZOGHGWRXFIMOKB-AOOOYVTPSA-N 1 2 231.299 1.822 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccoc1 ZINC000380267962 538987869 /nfs/dbraw/zinc/98/78/69/538987869.db2.gz UXCWJGNIBDTLAB-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CCCC2(F)F)cn1 ZINC000380074022 538984785 /nfs/dbraw/zinc/98/47/85/538984785.db2.gz ICCCBQSOURHAOH-SECBINFHSA-N 1 2 215.247 1.698 20 0 BDADLO CC(C)(C(=O)NCCc1cnoc1)c1c[nH]c[nH+]1 ZINC000640714313 361956455 /nfs/dbraw/zinc/95/64/55/361956455.db2.gz SWJTZPQEQKDXBW-UHFFFAOYSA-N 1 2 248.286 1.034 20 0 BDADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C[C@H]1F ZINC000381690540 539005912 /nfs/dbraw/zinc/00/59/12/539005912.db2.gz ZRRQKZQEHCJBPV-NKWVEPMBSA-N 1 2 244.701 1.897 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C[C@H]1F ZINC000381690540 539005913 /nfs/dbraw/zinc/00/59/13/539005913.db2.gz ZRRQKZQEHCJBPV-NKWVEPMBSA-N 1 2 244.701 1.897 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](CO)CC(F)F ZINC000381732443 539006493 /nfs/dbraw/zinc/00/64/93/539006493.db2.gz NRFKMDYQLFCYGM-SVRRBLITSA-N 1 2 233.262 1.385 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](CO)CC(F)F ZINC000381732439 539006519 /nfs/dbraw/zinc/00/65/19/539006519.db2.gz NRFKMDYQLFCYGM-POYBYMJQSA-N 1 2 233.262 1.385 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC000193724774 539007797 /nfs/dbraw/zinc/00/77/97/539007797.db2.gz ITBFWUJJKMGVBM-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC000193724774 539007798 /nfs/dbraw/zinc/00/77/98/539007798.db2.gz ITBFWUJJKMGVBM-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1nc(N2CC3(C2)CCCO3)c(C)c(C)[nH+]1 ZINC000624543359 344005122 /nfs/dbraw/zinc/00/51/22/344005122.db2.gz ZJPJDZIUIPOLGX-UHFFFAOYSA-N 1 2 233.315 1.771 20 0 BDADLO COc1ccc(N[C@H](C)c2cnn(C)c2)[nH+]c1 ZINC000382502250 539009955 /nfs/dbraw/zinc/00/99/55/539009955.db2.gz SLRBVVKBTOZARZ-SECBINFHSA-N 1 2 232.287 1.997 20 0 BDADLO C(c1noc(C2CCOCC2)n1)[NH+]1CCCC1 ZINC000195513700 539010622 /nfs/dbraw/zinc/01/06/22/539010622.db2.gz VQAAUMUVXUVRMH-UHFFFAOYSA-N 1 2 237.303 1.559 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000381371172 538999406 /nfs/dbraw/zinc/99/94/06/538999406.db2.gz IIGIZUATHVUGKU-IUCAKERBSA-N 1 2 221.304 1.347 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccc(F)cn2)n1 ZINC000390749547 539027327 /nfs/dbraw/zinc/02/73/27/539027327.db2.gz BSMJVKJYDCLBJY-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc[nH+]c2ccncc21 ZINC000649502081 398297472 /nfs/dbraw/zinc/29/74/72/398297472.db2.gz DQQXISANHGNJPE-NOZJJQNGSA-N 1 2 229.283 1.589 20 0 BDADLO CCc1cc(NC[C@@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000388773222 539015127 /nfs/dbraw/zinc/01/51/27/539015127.db2.gz URVAMLBSICSDEC-WDEREUQCSA-N 1 2 235.331 1.688 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cocn2)nc1 ZINC000389888810 539018551 /nfs/dbraw/zinc/01/85/51/539018551.db2.gz UKLXMRRQEOWCQU-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO COc1cncc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000625048163 342845634 /nfs/dbraw/zinc/84/56/34/342845634.db2.gz RJXDJUJNIJAAFX-AOOOYVTPSA-N 1 2 237.303 1.094 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000625048163 342845635 /nfs/dbraw/zinc/84/56/35/342845635.db2.gz RJXDJUJNIJAAFX-AOOOYVTPSA-N 1 2 237.303 1.094 20 0 BDADLO CC[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000402685173 342877130 /nfs/dbraw/zinc/87/71/30/342877130.db2.gz YXUIJRGRLVYZGA-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000402685173 342877131 /nfs/dbraw/zinc/87/71/31/342877131.db2.gz YXUIJRGRLVYZGA-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOCC(C)C ZINC000233683298 342877163 /nfs/dbraw/zinc/87/71/63/342877163.db2.gz SNESZFMAGCGHAH-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOCC(C)C ZINC000233683298 342877165 /nfs/dbraw/zinc/87/71/65/342877165.db2.gz SNESZFMAGCGHAH-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO CCC1(CNc2nc[nH+]c(N)c2OC)CC1 ZINC000233016776 342894682 /nfs/dbraw/zinc/89/46/82/342894682.db2.gz UXGWQHGQYVCLPD-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO CCC1(CNc2[nH+]cnc(N)c2OC)CC1 ZINC000233016776 342894684 /nfs/dbraw/zinc/89/46/84/342894684.db2.gz UXGWQHGQYVCLPD-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO CCc1noc(C[N@@H+]2CCS[C@H](CC)C2)n1 ZINC000076072935 342895565 /nfs/dbraw/zinc/89/55/65/342895565.db2.gz MPCLGCHCBZOUKX-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1noc(C[N@H+]2CCS[C@H](CC)C2)n1 ZINC000076072935 342895566 /nfs/dbraw/zinc/89/55/66/342895566.db2.gz MPCLGCHCBZOUKX-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOC[C@H](C)C1 ZINC000336343290 398318112 /nfs/dbraw/zinc/31/81/12/398318112.db2.gz JIIPJHUJESPBLG-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000336343290 398318113 /nfs/dbraw/zinc/31/81/13/398318113.db2.gz JIIPJHUJESPBLG-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000351355480 136245391 /nfs/dbraw/zinc/24/53/91/136245391.db2.gz SHQCWHYSTTVXHB-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336474878 398319410 /nfs/dbraw/zinc/31/94/10/398319410.db2.gz WPUMRAAQRPTBCC-VIFPVBQESA-N 1 2 221.304 1.696 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@]1(O)CCC[C@H]1C ZINC000584301748 398320865 /nfs/dbraw/zinc/32/08/65/398320865.db2.gz COWLHPOZVZVTMQ-MFKMUULPSA-N 1 2 235.331 1.478 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C12CC(C1)C2 ZINC000628034866 342887789 /nfs/dbraw/zinc/88/77/89/342887789.db2.gz MEMIFHSPHFNGID-UHFFFAOYSA-N 1 2 205.261 1.168 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C12CC(C1)C2 ZINC000628034866 342887790 /nfs/dbraw/zinc/88/77/90/342887790.db2.gz MEMIFHSPHFNGID-UHFFFAOYSA-N 1 2 205.261 1.168 20 0 BDADLO CCO[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000628034915 342887864 /nfs/dbraw/zinc/88/78/64/342887864.db2.gz ODATWNJEWDIZDR-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO CCO[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000628034915 342887866 /nfs/dbraw/zinc/88/78/66/342887866.db2.gz ODATWNJEWDIZDR-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO CCC[C@@H](OCC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000628035506 342888897 /nfs/dbraw/zinc/88/88/97/342888897.db2.gz QNPRHXZNUBFCBL-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@@H](OCC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000628035506 342888898 /nfs/dbraw/zinc/88/88/98/342888898.db2.gz QNPRHXZNUBFCBL-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CC[N@H+](Cc1noc(CCOC)n1)C1CC1 ZINC000351344667 136244939 /nfs/dbraw/zinc/24/49/39/136244939.db2.gz WORIUWRALSLYND-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CC[N@@H+](Cc1noc(CCOC)n1)C1CC1 ZINC000351344667 136244940 /nfs/dbraw/zinc/24/49/40/136244940.db2.gz WORIUWRALSLYND-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)C(=O)N(C)C)cs1 ZINC000036794367 342911562 /nfs/dbraw/zinc/91/15/62/342911562.db2.gz WQUABRHPYDINPD-ZETCQYMHSA-N 1 2 227.333 1.018 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)C(=O)N(C)C)cs1 ZINC000036794368 342911663 /nfs/dbraw/zinc/91/16/63/342911663.db2.gz WQUABRHPYDINPD-SSDOTTSWSA-N 1 2 227.333 1.018 20 0 BDADLO CCOC[C@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351514788 136246572 /nfs/dbraw/zinc/24/65/72/136246572.db2.gz AFOHOMXSBDYNEK-KOLCDFICSA-N 1 2 239.319 1.797 20 0 BDADLO CCOC[C@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351514788 136246573 /nfs/dbraw/zinc/24/65/73/136246573.db2.gz AFOHOMXSBDYNEK-KOLCDFICSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC(C)(C)C2)[nH+]1 ZINC000351512326 136246633 /nfs/dbraw/zinc/24/66/33/136246633.db2.gz ZCKIWLCRMPYYHB-SNVBAGLBSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H]2CCC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000351512326 136246634 /nfs/dbraw/zinc/24/66/34/136246634.db2.gz ZCKIWLCRMPYYHB-SNVBAGLBSA-N 1 2 249.362 1.659 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000584011387 342902711 /nfs/dbraw/zinc/90/27/11/342902711.db2.gz NLPQWKFFLMXLID-UTLUCORTSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000584011387 342902712 /nfs/dbraw/zinc/90/27/12/342902712.db2.gz NLPQWKFFLMXLID-UTLUCORTSA-N 1 2 233.315 1.744 20 0 BDADLO CC[N@@H+](Cc1ncc(C)o1)C[C@@H]1CCCO1 ZINC000173589240 346871340 /nfs/dbraw/zinc/87/13/40/346871340.db2.gz DZCRNTGBRJEHKX-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO CC[N@H+](Cc1ncc(C)o1)C[C@@H]1CCCO1 ZINC000173589240 346871343 /nfs/dbraw/zinc/87/13/43/346871343.db2.gz DZCRNTGBRJEHKX-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO CC[N@@H+](Cc1ncc(C)o1)C[C@H]1CCCO1 ZINC000173589257 346871635 /nfs/dbraw/zinc/87/16/35/346871635.db2.gz DZCRNTGBRJEHKX-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO CC[N@H+](Cc1ncc(C)o1)C[C@H]1CCCO1 ZINC000173589257 346871639 /nfs/dbraw/zinc/87/16/39/346871639.db2.gz DZCRNTGBRJEHKX-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@](C)(OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000233993927 342916128 /nfs/dbraw/zinc/91/61/28/342916128.db2.gz NKJMLSULMQKZNT-LDYMZIIASA-N 1 2 225.292 1.402 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000234569201 342929801 /nfs/dbraw/zinc/92/98/01/342929801.db2.gz GIBUTHVESZKGAT-GRYCIOLGSA-N 1 2 241.331 1.079 20 0 BDADLO COC[C@@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OC ZINC000602632128 349648879 /nfs/dbraw/zinc/64/88/79/349648879.db2.gz DVRNPQPVCIXTIA-NXEZZACHSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1noc(C[N@H+](C)CC[C@@H]2CCCO2)n1 ZINC000351626523 136248476 /nfs/dbraw/zinc/24/84/76/136248476.db2.gz DALKMTDKYCQHGM-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1noc(C[N@@H+](C)CC[C@@H]2CCCO2)n1 ZINC000351626523 136248477 /nfs/dbraw/zinc/24/84/77/136248477.db2.gz DALKMTDKYCQHGM-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]cn2)[C@@H]2CCC[C@H]2O1 ZINC000336312411 398329758 /nfs/dbraw/zinc/32/97/58/398329758.db2.gz LMJKYEZCSWVVLG-VXGBXAGGSA-N 1 2 235.331 1.942 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@@H]2CCC[C@H]2O1 ZINC000336312411 398329759 /nfs/dbraw/zinc/32/97/59/398329759.db2.gz LMJKYEZCSWVVLG-VXGBXAGGSA-N 1 2 235.331 1.942 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc[nH]2)[C@@H]2CCC[C@H]2O1 ZINC000336312411 398329761 /nfs/dbraw/zinc/32/97/61/398329761.db2.gz LMJKYEZCSWVVLG-VXGBXAGGSA-N 1 2 235.331 1.942 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@@H]2CCC[C@H]2O1 ZINC000336312411 398329762 /nfs/dbraw/zinc/32/97/62/398329762.db2.gz LMJKYEZCSWVVLG-VXGBXAGGSA-N 1 2 235.331 1.942 20 0 BDADLO CCc1ccccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634589345 342935203 /nfs/dbraw/zinc/93/52/03/342935203.db2.gz VWCZMKFTTHVEPT-LLVKDONJSA-N 1 2 243.310 1.561 20 0 BDADLO COC(=O)[C@@H](C)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602644774 349657006 /nfs/dbraw/zinc/65/70/06/349657006.db2.gz NLRZVBIPXSZQGB-PSASIEDQSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)O1 ZINC000354899018 398331036 /nfs/dbraw/zinc/33/10/36/398331036.db2.gz VJOCUODFNGXJTR-WZIZPHDVSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)O1 ZINC000354899018 398331039 /nfs/dbraw/zinc/33/10/39/398331039.db2.gz VJOCUODFNGXJTR-WZIZPHDVSA-N 1 2 245.388 1.395 20 0 BDADLO Cc1cccn2cc(CC(=O)N[C@@H]3C[C@H]3C)[nH+]c12 ZINC000075509517 398335149 /nfs/dbraw/zinc/33/51/49/398335149.db2.gz YEOAGPOASMFNHB-ZYHUDNBSSA-N 1 2 243.310 1.710 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000602682841 349675252 /nfs/dbraw/zinc/67/52/52/349675252.db2.gz SIYBRCQKPPPJTD-SRVKXCTJSA-N 1 2 243.347 1.874 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000602683356 349675336 /nfs/dbraw/zinc/67/53/36/349675336.db2.gz VHDPQGOLBQLVGK-UTLUCORTSA-N 1 2 217.309 1.340 20 0 BDADLO COc1cc(C[NH2+]CC(F)F)cc(OC)c1O ZINC000136579220 398342777 /nfs/dbraw/zinc/34/27/77/398342777.db2.gz VROAWRIMHJPXJT-UHFFFAOYSA-N 1 2 247.241 1.764 20 0 BDADLO CCc1cc(N)nc(SCCC(C)=O)[nH+]1 ZINC000279090720 398344488 /nfs/dbraw/zinc/34/44/88/398344488.db2.gz NKVVUSYWRMPWNZ-UHFFFAOYSA-N 1 2 225.317 1.692 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]c(C)nc2N)CCC1 ZINC000580315199 346898763 /nfs/dbraw/zinc/89/87/63/346898763.db2.gz XLDAAPMYXSMARL-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO Cc1csc(NC(=O)[C@H]2CSC[NH2+]2)n1 ZINC000019470402 342949166 /nfs/dbraw/zinc/94/91/66/342949166.db2.gz KOVASZLBOVLHCU-ZCFIWIBFSA-N 1 2 229.330 1.053 20 0 BDADLO COc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000634593047 342949770 /nfs/dbraw/zinc/94/97/70/342949770.db2.gz DOSKSUGCUXXAGW-NSHDSACASA-N 1 2 245.282 1.007 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@@H]1CCOC1 ZINC000493186474 529502474 /nfs/dbraw/zinc/50/24/74/529502474.db2.gz HLDRQYANFBSTKR-PGLGOXFNSA-N 1 2 246.310 1.597 20 0 BDADLO C[C@@H]1C[NH+]([C@H]2CCCOC2)C[C@@H](C)S1=O ZINC000616823268 346905114 /nfs/dbraw/zinc/90/51/14/346905114.db2.gz ISVBJPCXZAATKQ-MXWKQRLJSA-N 1 2 231.361 1.007 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000602700599 349696364 /nfs/dbraw/zinc/69/63/64/349696364.db2.gz HPBJWMXKXHNRPD-BJDJZHNGSA-N 1 2 245.363 1.977 20 0 BDADLO CC(C)CN1CC[N@H+](CCCCF)CC1=O ZINC000351825434 136255670 /nfs/dbraw/zinc/25/56/70/136255670.db2.gz YNGNIHBFVLRVEH-UHFFFAOYSA-N 1 2 230.327 1.536 20 0 BDADLO CC(C)CN1CC[N@@H+](CCCCF)CC1=O ZINC000351825434 136255671 /nfs/dbraw/zinc/25/56/71/136255671.db2.gz YNGNIHBFVLRVEH-UHFFFAOYSA-N 1 2 230.327 1.536 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cnccn1 ZINC000492614894 529561472 /nfs/dbraw/zinc/56/14/72/529561472.db2.gz QSLIOGALVJXJIK-ARJAWSKDSA-N 1 2 243.270 1.345 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H]1C1CC1 ZINC000493267854 529558326 /nfs/dbraw/zinc/55/83/26/529558326.db2.gz OSMVNUAPZGWTHH-FJOGCWAESA-N 1 2 245.326 1.927 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC[C@@H](C)F ZINC000493127303 529559494 /nfs/dbraw/zinc/55/94/94/529559494.db2.gz RQKRLVWJTZLMIQ-UMCURTJPSA-N 1 2 239.294 1.781 20 0 BDADLO CCN(C#N)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000602799836 349740791 /nfs/dbraw/zinc/74/07/91/349740791.db2.gz VHUJUZVWMQODSW-UHFFFAOYSA-N 1 2 244.342 1.849 20 0 BDADLO CCN(C#N)CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000602799836 349740794 /nfs/dbraw/zinc/74/07/94/349740794.db2.gz VHUJUZVWMQODSW-UHFFFAOYSA-N 1 2 244.342 1.849 20 0 BDADLO CCN(C#N)CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000602801722 349741683 /nfs/dbraw/zinc/74/16/83/349741683.db2.gz MQNUKRQYRSMQEB-MNOVXSKESA-N 1 2 213.300 1.469 20 0 BDADLO CCN(C#N)CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000602801722 349741684 /nfs/dbraw/zinc/74/16/84/349741684.db2.gz MQNUKRQYRSMQEB-MNOVXSKESA-N 1 2 213.300 1.469 20 0 BDADLO COC(=O)c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000584032122 343002746 /nfs/dbraw/zinc/00/27/46/343002746.db2.gz SGOCIFVSUSXAAX-UHFFFAOYSA-N 1 2 231.255 1.808 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H]2CCCO2)CCCC1 ZINC000037957087 343018892 /nfs/dbraw/zinc/01/88/92/343018892.db2.gz QJTIOXOJVACQDG-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C(C)C ZINC000602810453 349754659 /nfs/dbraw/zinc/75/46/59/349754659.db2.gz LUSFLAVRWPCLKB-NSHDSACASA-N 1 2 238.287 1.074 20 0 BDADLO CCN(C#N)CC[NH2+][C@H](C)c1nnc(C)s1 ZINC000602811121 349754896 /nfs/dbraw/zinc/75/48/96/349754896.db2.gz XBZKHJXPZUKUFM-MRVPVSSYSA-N 1 2 239.348 1.300 20 0 BDADLO CC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602860828 349772714 /nfs/dbraw/zinc/77/27/14/349772714.db2.gz GMXYSYVYXIFBOY-MWLCHTKSSA-N 1 2 241.331 1.770 20 0 BDADLO CC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602860828 349772717 /nfs/dbraw/zinc/77/27/17/349772717.db2.gz GMXYSYVYXIFBOY-MWLCHTKSSA-N 1 2 241.331 1.770 20 0 BDADLO CC1(C)CCCC[C@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634625980 343030698 /nfs/dbraw/zinc/03/06/98/343030698.db2.gz TZZVHKZDIMRSDD-CMPLNLGQSA-N 1 2 249.358 1.763 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2nccs2)C[C@H]1C ZINC000683563265 488196573 /nfs/dbraw/zinc/19/65/73/488196573.db2.gz LHOPHGCZETZMFK-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2nccs2)C[C@H]1C ZINC000683563265 488196575 /nfs/dbraw/zinc/19/65/75/488196575.db2.gz LHOPHGCZETZMFK-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(C)=O)s1 ZINC000602845540 349782696 /nfs/dbraw/zinc/78/26/96/349782696.db2.gz JQPFRUIPFMWIKL-SSDOTTSWSA-N 1 2 242.300 1.169 20 0 BDADLO C[C@H]1CCC2=NN(CCCn3cc[nH+]c3)C(=O)[C@@H]21 ZINC000634633677 343046179 /nfs/dbraw/zinc/04/61/79/343046179.db2.gz CSLVIOFZWDSLBB-CMPLNLGQSA-N 1 2 246.314 1.518 20 0 BDADLO CC[C@@H]1C(=O)N(CCCn2cc[nH+]c2)N=C1C ZINC000634633764 343046655 /nfs/dbraw/zinc/04/66/55/343046655.db2.gz FXDVYLCEGXGDRU-NSHDSACASA-N 1 2 234.303 1.518 20 0 BDADLO CCc1ncc(C[N@H+](C)CC(=O)N(C)C)s1 ZINC000067402193 362020930 /nfs/dbraw/zinc/02/09/30/362020930.db2.gz RCMXFIMDSHRLKS-UHFFFAOYSA-N 1 2 241.360 1.226 20 0 BDADLO CCc1ncc(C[N@@H+](C)CC(=O)N(C)C)s1 ZINC000067402193 362020935 /nfs/dbraw/zinc/02/09/35/362020935.db2.gz RCMXFIMDSHRLKS-UHFFFAOYSA-N 1 2 241.360 1.226 20 0 BDADLO C[C@H](CNc1ncccn1)Cn1cc[nH+]c1 ZINC000067447646 362030028 /nfs/dbraw/zinc/03/00/28/362030028.db2.gz ZTFCLBJNPXOIAR-SNVBAGLBSA-N 1 2 217.276 1.421 20 0 BDADLO Nc1[nH+]cnc(NCC[C@@H]2CCOC2)c1Cl ZINC000236391364 343091530 /nfs/dbraw/zinc/09/15/30/343091530.db2.gz XTPPKRKTMDEILR-SSDOTTSWSA-N 1 2 242.710 1.551 20 0 BDADLO Nc1nc[nH+]c(NCC[C@@H]2CCOC2)c1Cl ZINC000236391364 343091532 /nfs/dbraw/zinc/09/15/32/343091532.db2.gz XTPPKRKTMDEILR-SSDOTTSWSA-N 1 2 242.710 1.551 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](C)CCCO ZINC000384366552 343101345 /nfs/dbraw/zinc/10/13/45/343101345.db2.gz GXYSDHNTGBXZEQ-SNVBAGLBSA-N 1 2 224.304 1.911 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H]2CCC[C@H]2C)[nH+]1 ZINC000359929274 136268001 /nfs/dbraw/zinc/26/80/01/136268001.db2.gz GHYJEBUITVHUSC-MWLCHTKSSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000359929274 136268002 /nfs/dbraw/zinc/26/80/02/136268002.db2.gz GHYJEBUITVHUSC-MWLCHTKSSA-N 1 2 249.362 1.516 20 0 BDADLO O=C([O-])[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000049328770 343103712 /nfs/dbraw/zinc/10/37/12/343103712.db2.gz MFPCRDATZXEJJU-LLVKDONJSA-N 1 2 237.303 1.212 20 0 BDADLO O=C([O-])[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000049328770 343103714 /nfs/dbraw/zinc/10/37/14/343103714.db2.gz MFPCRDATZXEJJU-LLVKDONJSA-N 1 2 237.303 1.212 20 0 BDADLO CC[C@H](C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493724694 529684716 /nfs/dbraw/zinc/68/47/16/529684716.db2.gz NFEHJEIJCVKCSQ-CYNONHLPSA-N 1 2 207.277 1.680 20 0 BDADLO COc1ccc(NCc2ncnn2C(C)C)[nH+]c1 ZINC000631093595 343111247 /nfs/dbraw/zinc/11/12/47/343111247.db2.gz LPYWLKROKZOYEY-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO CC[C@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640938803 362075700 /nfs/dbraw/zinc/07/57/00/362075700.db2.gz LMQSKTDQOLRKRM-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO c1cn(Cc2nc(COC3CCC3)no2)c[nH+]1 ZINC000634671550 343112046 /nfs/dbraw/zinc/11/20/46/343112046.db2.gz KQPIPZUHQPIKJB-UHFFFAOYSA-N 1 2 234.259 1.384 20 0 BDADLO CS[C@H](C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000576877744 365711447 /nfs/dbraw/zinc/71/14/47/365711447.db2.gz ISVOTMDCUAQCQS-SSDOTTSWSA-N 1 2 225.317 1.574 20 0 BDADLO Cc1cnccc1C[NH2+]Cc1ncccn1 ZINC000129758353 343184796 /nfs/dbraw/zinc/18/47/96/343184796.db2.gz AXRHSDSNBLQBSJ-UHFFFAOYSA-N 1 2 214.272 1.470 20 0 BDADLO CCOCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125351385 343173101 /nfs/dbraw/zinc/17/31/01/343173101.db2.gz NRZMIUKCKZYNNO-MRVPVSSYSA-N 1 2 211.265 1.014 20 0 BDADLO C[C@@H](NC(=O)c1ccccn1)c1[nH]cc[nH+]1 ZINC000125365111 343173108 /nfs/dbraw/zinc/17/31/08/343173108.db2.gz FUJDJGDXGGRQLE-MRVPVSSYSA-N 1 2 216.244 1.296 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000125353988 343173112 /nfs/dbraw/zinc/17/31/12/343173112.db2.gz SUGXARYKDBVVHE-BDAKNGLRSA-N 1 2 223.276 1.014 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000125374690 343173178 /nfs/dbraw/zinc/17/31/78/343173178.db2.gz HJRDTJBFQVRPDU-ZJUUUORDSA-N 1 2 219.288 1.943 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(O)CC1 ZINC000082776916 136277084 /nfs/dbraw/zinc/27/70/84/136277084.db2.gz TYZKIZJEDGSJDU-VIFPVBQESA-N 1 2 229.320 1.173 20 0 BDADLO CCCCOCCNc1nc[nH+]c(N)c1OC ZINC000134869407 343192069 /nfs/dbraw/zinc/19/20/69/343192069.db2.gz MPCYCVGNKVAYAF-UHFFFAOYSA-N 1 2 240.307 1.296 20 0 BDADLO CCCCOCCNc1[nH+]cnc(N)c1OC ZINC000134869407 343192071 /nfs/dbraw/zinc/19/20/71/343192071.db2.gz MPCYCVGNKVAYAF-UHFFFAOYSA-N 1 2 240.307 1.296 20 0 BDADLO CCN(C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000625299165 343226590 /nfs/dbraw/zinc/22/65/90/343226590.db2.gz GJERGULTFMXXCZ-UHFFFAOYSA-N 1 2 210.281 1.350 20 0 BDADLO CCN(C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000625299165 343226591 /nfs/dbraw/zinc/22/65/91/343226591.db2.gz GJERGULTFMXXCZ-UHFFFAOYSA-N 1 2 210.281 1.350 20 0 BDADLO C[C@H]1CCCCN1C(=O)NCc1c[nH+]c[nH]1 ZINC000625301825 343227722 /nfs/dbraw/zinc/22/77/22/343227722.db2.gz YKLVLJUVPGTSMT-VIFPVBQESA-N 1 2 222.292 1.494 20 0 BDADLO C[C@H]1CCCCN1C(=O)NCc1c[nH]c[nH+]1 ZINC000625301825 343227725 /nfs/dbraw/zinc/22/77/25/343227725.db2.gz YKLVLJUVPGTSMT-VIFPVBQESA-N 1 2 222.292 1.494 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CCCCS2)[nH]n1 ZINC000087684223 136282300 /nfs/dbraw/zinc/28/23/00/136282300.db2.gz UXDAQKJBWKEZFI-JTQLQIEISA-N 1 2 211.334 1.785 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]1F ZINC000625314139 343231126 /nfs/dbraw/zinc/23/11/26/343231126.db2.gz MHBYZRLMJCGUMJ-QWRGUYRKSA-N 1 2 244.354 1.829 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]1F ZINC000625314139 343231128 /nfs/dbraw/zinc/23/11/28/343231128.db2.gz MHBYZRLMJCGUMJ-QWRGUYRKSA-N 1 2 244.354 1.829 20 0 BDADLO C[C@H](CO)[C@H](C)[NH2+]Cc1noc(C2CCC2)n1 ZINC000625322349 343234818 /nfs/dbraw/zinc/23/48/18/343234818.db2.gz DKGYCNAIOKOGKB-BDAKNGLRSA-N 1 2 239.319 1.444 20 0 BDADLO C[C@@H]1C[N@H+](CCOC2CCOCC2)CCC1=O ZINC000625332662 343237674 /nfs/dbraw/zinc/23/76/74/343237674.db2.gz JJGKKHRZEDEVTQ-LLVKDONJSA-N 1 2 241.331 1.093 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC2CCOCC2)CCC1=O ZINC000625332662 343237676 /nfs/dbraw/zinc/23/76/76/343237676.db2.gz JJGKKHRZEDEVTQ-LLVKDONJSA-N 1 2 241.331 1.093 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C12CC(C1)C2 ZINC000625355837 343247701 /nfs/dbraw/zinc/24/77/01/343247701.db2.gz GNIIHNPLTMKEHI-UHFFFAOYSA-N 1 2 202.257 1.551 20 0 BDADLO CC(C)c1nc(N[C@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000569719683 323038926 /nfs/dbraw/zinc/03/89/26/323038926.db2.gz VSDFFFYQTCAVQC-VHSXEESVSA-N 1 2 221.304 1.611 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000046773793 343259493 /nfs/dbraw/zinc/25/94/93/343259493.db2.gz AYLHVRXPICMMAP-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@@H]1COCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000046773793 343259494 /nfs/dbraw/zinc/25/94/94/343259494.db2.gz AYLHVRXPICMMAP-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1cnns1 ZINC000625363069 343259666 /nfs/dbraw/zinc/25/96/66/343259666.db2.gz LRLGIIOWKPMBJR-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1cnns1 ZINC000625363069 343259668 /nfs/dbraw/zinc/25/96/68/343259668.db2.gz LRLGIIOWKPMBJR-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCCCO)s1 ZINC000625366884 343260566 /nfs/dbraw/zinc/26/05/66/343260566.db2.gz RTCAGAPLQUKCQO-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCCCO)s1 ZINC000625366884 343260568 /nfs/dbraw/zinc/26/05/68/343260568.db2.gz RTCAGAPLQUKCQO-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000121458909 343266518 /nfs/dbraw/zinc/26/65/18/343266518.db2.gz LZBHSYNSPYKUKN-NWDGAFQWSA-N 1 2 233.315 1.125 20 0 BDADLO O[C@@H]1CCCC[C@@H]1c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035696 362147901 /nfs/dbraw/zinc/14/79/01/362147901.db2.gz VOIVGLXDNOOYRI-ZYHUDNBSSA-N 1 2 247.302 1.068 20 0 BDADLO CCC(C)(C)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035790 362148755 /nfs/dbraw/zinc/14/87/55/362148755.db2.gz ZPQFLCKNMBEEPU-UHFFFAOYSA-N 1 2 219.292 1.737 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)no1 ZINC000621364494 343274917 /nfs/dbraw/zinc/27/49/17/343274917.db2.gz HGQPGJCLNFMKQK-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)no1 ZINC000621364494 343274918 /nfs/dbraw/zinc/27/49/18/343274918.db2.gz HGQPGJCLNFMKQK-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO CSCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000609125719 343308431 /nfs/dbraw/zinc/30/84/31/343308431.db2.gz ZKCKIVZEKOEWHI-UHFFFAOYSA-N 1 2 235.312 1.427 20 0 BDADLO CS[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000569815415 323041493 /nfs/dbraw/zinc/04/14/93/323041493.db2.gz VKMBVXSVCBVLHZ-NXEZZACHSA-N 1 2 241.360 1.702 20 0 BDADLO CCc1noc(C[NH2+]C(C)(C)COC)n1 ZINC000076495851 343366788 /nfs/dbraw/zinc/36/67/88/343366788.db2.gz YFGSZJIYTLLFBZ-UHFFFAOYSA-N 1 2 213.281 1.147 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000348894263 136304070 /nfs/dbraw/zinc/30/40/70/136304070.db2.gz OJFLSALQDWIIKM-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000348894263 136304071 /nfs/dbraw/zinc/30/40/71/136304071.db2.gz OJFLSALQDWIIKM-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO CC(=O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070490 362179823 /nfs/dbraw/zinc/17/98/23/362179823.db2.gz GXOGVJKVNVPCHM-UHFFFAOYSA-N 1 2 216.244 1.232 20 0 BDADLO Cc1[nH+]cccc1Cc1nc(-c2nc[nH]n2)no1 ZINC000348886773 136308098 /nfs/dbraw/zinc/30/80/98/136308098.db2.gz MCBZPYUTDOAYPL-UHFFFAOYSA-N 1 2 242.242 1.149 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nn1 ZINC000335689384 136324266 /nfs/dbraw/zinc/32/42/66/136324266.db2.gz OSTYQWBYWGRNQQ-IONNQARKSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cn(C)nn1 ZINC000335689384 136324267 /nfs/dbraw/zinc/32/42/67/136324267.db2.gz OSTYQWBYWGRNQQ-IONNQARKSA-N 1 2 248.252 1.588 20 0 BDADLO CCOC(=O)CC[N@H+](CC(F)F)CC1CC1 ZINC000609287402 343401702 /nfs/dbraw/zinc/40/17/02/343401702.db2.gz QLCUIBCUPDGIOB-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO CCOC(=O)CC[N@@H+](CC(F)F)CC1CC1 ZINC000609287402 343401704 /nfs/dbraw/zinc/40/17/04/343401704.db2.gz QLCUIBCUPDGIOB-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO CC[C@@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000047576591 343417754 /nfs/dbraw/zinc/41/77/54/343417754.db2.gz OOGSPTCJSPPPGC-SNVBAGLBSA-N 1 2 246.314 1.932 20 0 BDADLO C[C@H](NCCC[NH+]1CCOCC1)c1ccon1 ZINC000349247658 136333238 /nfs/dbraw/zinc/33/32/38/136333238.db2.gz UPTUXHSFMSOLGY-NSHDSACASA-N 1 2 239.319 1.048 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2ccon2)n1 ZINC000349247702 136333267 /nfs/dbraw/zinc/33/32/67/136333267.db2.gz UYVZDIWQAYRBRT-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO CCC(=O)c1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641090698 362216543 /nfs/dbraw/zinc/21/65/43/362216543.db2.gz ZSGCQWGTVPOOMV-UHFFFAOYSA-N 1 2 230.271 1.623 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335719905 136340811 /nfs/dbraw/zinc/34/08/11/136340811.db2.gz DIHQQHXNXKACOE-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335719905 136340812 /nfs/dbraw/zinc/34/08/12/136340812.db2.gz DIHQQHXNXKACOE-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO COCC[N@H+](C)Cc1cn(C[C@@H]2C[C@@H]2C)nn1 ZINC000641081914 362199244 /nfs/dbraw/zinc/19/92/44/362199244.db2.gz NOGZWMPTGPXACZ-QWRGUYRKSA-N 1 2 238.335 1.012 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C[C@@H]2C[C@@H]2C)nn1 ZINC000641081914 362199250 /nfs/dbraw/zinc/19/92/50/362199250.db2.gz NOGZWMPTGPXACZ-QWRGUYRKSA-N 1 2 238.335 1.012 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOCC12CCC2 ZINC000335850838 136355433 /nfs/dbraw/zinc/35/54/33/136355433.db2.gz RFQFYAPYSAPPRV-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857797 136356192 /nfs/dbraw/zinc/35/61/92/136356192.db2.gz YPEIDIIZKFJSDK-POYBYMJQSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857797 136356193 /nfs/dbraw/zinc/35/61/93/136356193.db2.gz YPEIDIIZKFJSDK-POYBYMJQSA-N 1 2 249.236 1.384 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)C)CCC2 ZINC000335897165 136359094 /nfs/dbraw/zinc/35/90/94/136359094.db2.gz GITJEYRTPPZLBC-LLVKDONJSA-N 1 2 235.331 1.841 20 0 BDADLO CC(C)[N@@H+]1CCO[C@H](c2nc(C3CC3)no2)C1 ZINC000350504476 136361872 /nfs/dbraw/zinc/36/18/72/136361872.db2.gz JBXPMFBOEVEBGS-JTQLQIEISA-N 1 2 237.303 1.729 20 0 BDADLO CC(C)[N@H+]1CCO[C@H](c2nc(C3CC3)no2)C1 ZINC000350504476 136361873 /nfs/dbraw/zinc/36/18/73/136361873.db2.gz JBXPMFBOEVEBGS-JTQLQIEISA-N 1 2 237.303 1.729 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccco1 ZINC000082681535 343460100 /nfs/dbraw/zinc/46/01/00/343460100.db2.gz HDQDTUOAUPAXEF-UHFFFAOYSA-N 1 2 205.217 1.275 20 0 BDADLO CCc1cnc(C[N@H+](C)CCO)s1 ZINC000177844905 346941042 /nfs/dbraw/zinc/94/10/42/346941042.db2.gz VPURJVACQLNSMM-UHFFFAOYSA-N 1 2 200.307 1.130 20 0 BDADLO CCc1cnc(C[N@@H+](C)CCO)s1 ZINC000177844905 346941044 /nfs/dbraw/zinc/94/10/44/346941044.db2.gz VPURJVACQLNSMM-UHFFFAOYSA-N 1 2 200.307 1.130 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC(C)(CO)CC2)no1 ZINC000351606815 136370092 /nfs/dbraw/zinc/37/00/92/136370092.db2.gz UVKLKAJVEKHHOC-SECBINFHSA-N 1 2 239.319 1.533 20 0 BDADLO CSC1CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000602921356 349811045 /nfs/dbraw/zinc/81/10/45/349811045.db2.gz IDWFHPIEHCNBSM-UHFFFAOYSA-N 1 2 240.376 1.451 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000577003054 365752957 /nfs/dbraw/zinc/75/29/57/365752957.db2.gz MSDKWXQYQLQZPB-GFCCVEGCSA-N 1 2 248.326 1.742 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000577003054 365752961 /nfs/dbraw/zinc/75/29/61/365752961.db2.gz MSDKWXQYQLQZPB-GFCCVEGCSA-N 1 2 248.326 1.742 20 0 BDADLO CO[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CCO1 ZINC000602898207 349814963 /nfs/dbraw/zinc/81/49/63/349814963.db2.gz OXIBSAKQKCMKJH-LLVKDONJSA-N 1 2 245.319 1.023 20 0 BDADLO CO[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CCO1 ZINC000602898207 349814965 /nfs/dbraw/zinc/81/49/65/349814965.db2.gz OXIBSAKQKCMKJH-LLVKDONJSA-N 1 2 245.319 1.023 20 0 BDADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccccc1F ZINC000570150961 323050887 /nfs/dbraw/zinc/05/08/87/323050887.db2.gz ONFXOCHOHIMATG-UHFFFAOYSA-N 1 2 241.247 1.350 20 0 BDADLO COc1cc(NCCc2ccc(C)[nH+]c2)ncn1 ZINC000124378569 343554808 /nfs/dbraw/zinc/55/48/08/343554808.db2.gz XGVVDXIUDLAVGQ-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO CC(C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047617682 343564167 /nfs/dbraw/zinc/56/41/67/343564167.db2.gz YCRIENZROABPLS-JTQLQIEISA-N 1 2 224.308 1.227 20 0 BDADLO C[C@H](CO)CSCc1ccc[nH+]c1N ZINC000085140417 343585005 /nfs/dbraw/zinc/58/50/05/343585005.db2.gz JJQDDNPJPOUAOD-MRVPVSSYSA-N 1 2 212.318 1.525 20 0 BDADLO CCc1nc(C[NH2+]Cc2cnn(C)c2)cs1 ZINC000049592630 343603897 /nfs/dbraw/zinc/60/38/97/343603897.db2.gz RAUSCDSRZPZVAW-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC23CC3)cc[nH+]1 ZINC000584109499 343647448 /nfs/dbraw/zinc/64/74/48/343647448.db2.gz HPTHKDKXFUJJRD-JTQLQIEISA-N 1 2 217.272 1.486 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccn(C)c(=O)c2)no1 ZINC000051739428 343628773 /nfs/dbraw/zinc/62/87/73/343628773.db2.gz VWVJRRGCYHHZHW-UHFFFAOYSA-N 1 2 247.298 1.314 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccn(C)c(=O)c2)no1 ZINC000051739428 343628774 /nfs/dbraw/zinc/62/87/74/343628774.db2.gz VWVJRRGCYHHZHW-UHFFFAOYSA-N 1 2 247.298 1.314 20 0 BDADLO O=C([O-])C12CCC(CC1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000634696617 343633640 /nfs/dbraw/zinc/63/36/40/343633640.db2.gz FSUSMEOOPMNUAN-UHFFFAOYSA-N 1 2 249.314 1.355 20 0 BDADLO O=C([O-])C12CCC(CC1)[N@H+]2CCCn1cc[nH+]c1 ZINC000634696617 343633642 /nfs/dbraw/zinc/63/36/42/343633642.db2.gz FSUSMEOOPMNUAN-UHFFFAOYSA-N 1 2 249.314 1.355 20 0 BDADLO Cc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000087781016 343660484 /nfs/dbraw/zinc/66/04/84/343660484.db2.gz AYXUOVAOWMVQPJ-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCN(C)CC(F)F ZINC000624324866 343700417 /nfs/dbraw/zinc/70/04/17/343700417.db2.gz XCLMAVLGODRDDS-QMMMGPOBSA-N 1 2 246.305 1.566 20 0 BDADLO COC(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575176 192364425 /nfs/dbraw/zinc/36/44/25/192364425.db2.gz JBLJWGLVJGMICX-UHFFFAOYSA-N 1 2 236.315 1.740 20 0 BDADLO COC(=O)C12CCC(CC1)N2Cc1cn(C)c[nH+]1 ZINC000602986195 349838545 /nfs/dbraw/zinc/83/85/45/349838545.db2.gz ZATUPEIJXQSJHX-UHFFFAOYSA-N 1 2 249.314 1.090 20 0 BDADLO CC1(C)C[N@H+](Cc2cc[nH]n2)C(C)(C)CO1 ZINC000678269613 488231773 /nfs/dbraw/zinc/23/17/73/488231773.db2.gz DMNAZMHKHYMQON-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)C(C)(C)CO1 ZINC000678269613 488231776 /nfs/dbraw/zinc/23/17/76/488231776.db2.gz DMNAZMHKHYMQON-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@](O)(C2CC2)C1 ZINC000624396856 343752990 /nfs/dbraw/zinc/75/29/90/343752990.db2.gz GTEFRWHCVKBUKD-AWEZNQCLSA-N 1 2 248.326 1.832 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ncc[nH]1 ZINC000286373390 537810096 /nfs/dbraw/zinc/81/00/96/537810096.db2.gz ZRPDBIKPTILFDA-JQWIXIFHSA-N 1 2 231.299 1.794 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1C2CCC1CC2 ZINC000584116059 343761040 /nfs/dbraw/zinc/76/10/40/343761040.db2.gz GDZJKOKCIRKFOR-VOMCLLRMSA-N 1 2 245.326 1.599 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3cnns3)C2)c1 ZINC000625445075 343761849 /nfs/dbraw/zinc/76/18/49/343761849.db2.gz RZMTZWZHIJQFFL-SECBINFHSA-N 1 2 235.316 1.182 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3cnns3)C2)c1 ZINC000625445075 343761850 /nfs/dbraw/zinc/76/18/50/343761850.db2.gz RZMTZWZHIJQFFL-SECBINFHSA-N 1 2 235.316 1.182 20 0 BDADLO CC[N@H+](Cc1cnns1)[C@H]1CCOC1 ZINC000625444515 343761931 /nfs/dbraw/zinc/76/19/31/343761931.db2.gz KSEWLUHWPIRYFL-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CC[N@@H+](Cc1cnns1)[C@H]1CCOC1 ZINC000625444515 343761933 /nfs/dbraw/zinc/76/19/33/343761933.db2.gz KSEWLUHWPIRYFL-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@@H](O)C[C@H]2C)c(C)[nH+]1 ZINC000335874994 344037600 /nfs/dbraw/zinc/03/76/00/344037600.db2.gz WKIAKNDNHCYSDT-KOLCDFICSA-N 1 2 249.314 1.685 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2ccccn2)n1 ZINC000625453067 343826487 /nfs/dbraw/zinc/82/64/87/343826487.db2.gz CYZZPMLBNNCIKF-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2ccccn2)n1 ZINC000625453067 343826489 /nfs/dbraw/zinc/82/64/89/343826489.db2.gz CYZZPMLBNNCIKF-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CCn1nccc1C[N@H+](CC)Cc1cnn(C)c1 ZINC000179588255 346989773 /nfs/dbraw/zinc/98/97/73/346989773.db2.gz XHAPWBICMFJNOR-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCn1nccc1C[N@@H+](CC)Cc1cnn(C)c1 ZINC000179588255 346989776 /nfs/dbraw/zinc/98/97/76/346989776.db2.gz XHAPWBICMFJNOR-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CN(CCOCC1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493449549 529921196 /nfs/dbraw/zinc/92/11/96/529921196.db2.gz KHRBBZYBZGSHTE-SNAWJCMRSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000179868359 347001063 /nfs/dbraw/zinc/00/10/63/347001063.db2.gz DIMBQQNLEPJXDW-SNVBAGLBSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@H](C)C1 ZINC000179868359 347001065 /nfs/dbraw/zinc/00/10/65/347001065.db2.gz DIMBQQNLEPJXDW-SNVBAGLBSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cnc(C[N@H+]2CCCc3c(cnn3C)C2)o1 ZINC000625469119 343873796 /nfs/dbraw/zinc/87/37/96/343873796.db2.gz JDMCONMDGGVZKZ-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCc3c(cnn3C)C2)o1 ZINC000625469119 343873797 /nfs/dbraw/zinc/87/37/97/343873797.db2.gz JDMCONMDGGVZKZ-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370812 347008422 /nfs/dbraw/zinc/00/84/22/347008422.db2.gz NDRYSAHOJPUOHD-UWVGGRQHSA-N 1 2 233.315 1.587 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370812 347008425 /nfs/dbraw/zinc/00/84/25/347008425.db2.gz NDRYSAHOJPUOHD-UWVGGRQHSA-N 1 2 233.315 1.587 20 0 BDADLO CSCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000603225756 349889247 /nfs/dbraw/zinc/88/92/47/349889247.db2.gz JTMZYHYVKMRTCX-UHFFFAOYSA-N 1 2 237.332 1.276 20 0 BDADLO CC(C)[C@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641188055 362265188 /nfs/dbraw/zinc/26/51/88/362265188.db2.gz CWAZPGQFHVFIOO-GXSJLCMTSA-N 1 2 224.308 1.156 20 0 BDADLO CCO[C@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000625514980 343914959 /nfs/dbraw/zinc/91/49/59/343914959.db2.gz VWMZZRRMMZSWEK-LBPRGKRZSA-N 1 2 236.315 1.812 20 0 BDADLO Cc1cc(CN[C@H]2C[C@@H](C)n3cc[nH+]c32)no1 ZINC000379064405 347019062 /nfs/dbraw/zinc/01/90/62/347019062.db2.gz UQJQRLCJNYPCDJ-KCJUWKMLSA-N 1 2 232.287 1.975 20 0 BDADLO CN(C)c1ccc(Cn2cc(C3CC3)nn2)c[nH+]1 ZINC000641177581 362257286 /nfs/dbraw/zinc/25/72/86/362257286.db2.gz KLHZGOKCXMIEEB-UHFFFAOYSA-N 1 2 243.314 1.665 20 0 BDADLO CC[C@@H](O)CCCNc1nc[nH+]c(N)c1Cl ZINC000309299169 347021052 /nfs/dbraw/zinc/02/10/52/347021052.db2.gz SNLDLFVRXCKYGW-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO CC[C@@H](O)CCCNc1[nH+]cnc(N)c1Cl ZINC000309299169 347021055 /nfs/dbraw/zinc/02/10/55/347021055.db2.gz SNLDLFVRXCKYGW-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO C[C@H]1CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000641242475 362304213 /nfs/dbraw/zinc/30/42/13/362304213.db2.gz HZMGQOUYZNMQTE-JTQLQIEISA-N 1 2 242.282 1.502 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]3C)ccn12 ZINC000641244511 362308024 /nfs/dbraw/zinc/30/80/24/362308024.db2.gz PCBDJVUMLXVAMN-VIFPVBQESA-N 1 2 229.283 1.877 20 0 BDADLO C[C@@H]1CCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000641244282 362320933 /nfs/dbraw/zinc/32/09/33/362320933.db2.gz YFAJMGGOEAJGQW-SECBINFHSA-N 1 2 246.301 1.584 20 0 BDADLO FC1(F)CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC000625770659 344066392 /nfs/dbraw/zinc/06/63/92/344066392.db2.gz NNJXZQYKLYQMRQ-UHFFFAOYSA-N 1 2 216.235 1.426 20 0 BDADLO FC1(F)CCC[N@@H+](Cc2cnn[nH]2)CC1 ZINC000625770659 344066393 /nfs/dbraw/zinc/06/63/93/344066393.db2.gz NNJXZQYKLYQMRQ-UHFFFAOYSA-N 1 2 216.235 1.426 20 0 BDADLO FC1(F)CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000625770659 344066396 /nfs/dbraw/zinc/06/63/96/344066396.db2.gz NNJXZQYKLYQMRQ-UHFFFAOYSA-N 1 2 216.235 1.426 20 0 BDADLO FC1(F)CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000625770659 344066397 /nfs/dbraw/zinc/06/63/97/344066397.db2.gz NNJXZQYKLYQMRQ-UHFFFAOYSA-N 1 2 216.235 1.426 20 0 BDADLO FC1(F)CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000625770659 344066399 /nfs/dbraw/zinc/06/63/99/344066399.db2.gz NNJXZQYKLYQMRQ-UHFFFAOYSA-N 1 2 216.235 1.426 20 0 BDADLO FC1(F)CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000625770659 344066402 /nfs/dbraw/zinc/06/64/02/344066402.db2.gz NNJXZQYKLYQMRQ-UHFFFAOYSA-N 1 2 216.235 1.426 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)no1 ZINC000625775796 344071242 /nfs/dbraw/zinc/07/12/42/344071242.db2.gz VEGSZZNKJPQZJT-ZJUUUORDSA-N 1 2 239.344 1.848 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)no1 ZINC000625775796 344071243 /nfs/dbraw/zinc/07/12/43/344071243.db2.gz VEGSZZNKJPQZJT-ZJUUUORDSA-N 1 2 239.344 1.848 20 0 BDADLO Fc1c[nH+]ccc1NCC[C@H]1CCCO1 ZINC000641276719 362341458 /nfs/dbraw/zinc/34/14/58/362341458.db2.gz LRNQSNWQWQLQLN-SECBINFHSA-N 1 2 210.252 1.624 20 0 BDADLO Cn1ncc2c1CCC[C@H]2Nc1cc[nH+]cc1F ZINC000641284461 362345083 /nfs/dbraw/zinc/34/50/83/362345083.db2.gz LEZRDAXEZPFPNL-LLVKDONJSA-N 1 2 246.289 1.866 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734594 344115595 /nfs/dbraw/zinc/11/55/95/344115595.db2.gz JURVDKVGMIRIRZ-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734594 344115597 /nfs/dbraw/zinc/11/55/97/344115597.db2.gz JURVDKVGMIRIRZ-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734594 344115600 /nfs/dbraw/zinc/11/56/00/344115600.db2.gz JURVDKVGMIRIRZ-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734594 344115602 /nfs/dbraw/zinc/11/56/02/344115602.db2.gz JURVDKVGMIRIRZ-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1cncc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000079564215 344116851 /nfs/dbraw/zinc/11/68/51/344116851.db2.gz ZJCZTWCEIJMOJS-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO C[C@@H]1[N@H+](CC(=O)N2CCCC2)CCOC1(C)C ZINC000335906194 344084297 /nfs/dbraw/zinc/08/42/97/344084297.db2.gz YZMNJINPJMBLOW-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1[N@@H+](CC(=O)N2CCCC2)CCOC1(C)C ZINC000335906194 344084298 /nfs/dbraw/zinc/08/42/98/344084298.db2.gz YZMNJINPJMBLOW-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCCCO2)c1 ZINC000641310608 362357344 /nfs/dbraw/zinc/35/73/44/362357344.db2.gz QBESQEPRJXDVTO-LLVKDONJSA-N 1 2 222.288 1.555 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C1CCC1)CC2 ZINC000625852585 344123732 /nfs/dbraw/zinc/12/37/32/344123732.db2.gz NDWKMBOHJRWTNH-LLVKDONJSA-N 1 2 247.342 1.765 20 0 BDADLO Cc1n[nH]cc1CNc1cc(CO)cc[nH+]1 ZINC000641309216 362359508 /nfs/dbraw/zinc/35/95/08/362359508.db2.gz GYRYQWVDKJDQBF-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO CSc1ccnc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000395253702 344133238 /nfs/dbraw/zinc/13/32/38/344133238.db2.gz ACFDOIYEWQDSTH-VIFPVBQESA-N 1 2 249.343 1.896 20 0 BDADLO CN1CCCC[C@H]([N@H+](C)Cc2ccno2)C1=O ZINC000634737515 344135989 /nfs/dbraw/zinc/13/59/89/344135989.db2.gz TUSSRKWCVKRAEP-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CN1CCCC[C@H]([N@@H+](C)Cc2ccno2)C1=O ZINC000634737515 344135990 /nfs/dbraw/zinc/13/59/90/344135990.db2.gz TUSSRKWCVKRAEP-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485504 344147926 /nfs/dbraw/zinc/14/79/26/344147926.db2.gz GJFQFCPVQWERHO-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO CCC1(CNC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000291069398 168470240 /nfs/dbraw/zinc/47/02/40/168470240.db2.gz QLLYGOHYCZMFEE-UHFFFAOYSA-N 1 2 248.330 1.599 20 0 BDADLO CCCCn1nnnc1C[NH+]1CCC(C)CC1 ZINC000588773022 344187723 /nfs/dbraw/zinc/18/77/23/344187723.db2.gz VARWQPWZXRJGDV-UHFFFAOYSA-N 1 2 237.351 1.705 20 0 BDADLO CCC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC000084252350 344190232 /nfs/dbraw/zinc/19/02/32/344190232.db2.gz HUWIZTWPGLAZQD-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCCC[C@@H]2O)c1 ZINC000641329947 362364958 /nfs/dbraw/zinc/36/49/58/362364958.db2.gz RJPFBHINDCEXHM-QWRGUYRKSA-N 1 2 222.288 1.289 20 0 BDADLO C[C@@H](O)C1CCN(c2cc[nH+]cc2F)CC1 ZINC000641367574 362378655 /nfs/dbraw/zinc/37/86/55/362378655.db2.gz MLLVHMILFKCJGT-SECBINFHSA-N 1 2 224.279 1.818 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)C[C@H]1CCCO1 ZINC000092407849 344295128 /nfs/dbraw/zinc/29/51/28/344295128.db2.gz SYRBKCSBXCPMQB-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)C[C@H]1CCCO1 ZINC000092407849 344295129 /nfs/dbraw/zinc/29/51/29/344295129.db2.gz SYRBKCSBXCPMQB-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)OC ZINC000300019370 344365024 /nfs/dbraw/zinc/36/50/24/344365024.db2.gz JDDFETJBGKFTPS-DCAQKATOSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1occc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620592242 344325448 /nfs/dbraw/zinc/32/54/48/344325448.db2.gz KCYFNPMTAUYLLS-QMMMGPOBSA-N 1 2 233.271 1.813 20 0 BDADLO Cc1ccncc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620601331 344334528 /nfs/dbraw/zinc/33/45/28/344334528.db2.gz WATVYWRVFRGXTE-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000600614593 344337181 /nfs/dbraw/zinc/33/71/81/344337181.db2.gz KUIHCFYGMXYOCO-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO OCCO[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641379587 362383533 /nfs/dbraw/zinc/38/35/33/362383533.db2.gz IFBDLEKFFNDKMG-SNVBAGLBSA-N 1 2 240.278 1.198 20 0 BDADLO Cc1nnccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603750 344354214 /nfs/dbraw/zinc/35/42/14/344354214.db2.gz NBQAXGMIDRVHPE-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO CCc1cc(NCCC(=O)OC)nc[nH+]1 ZINC000040765168 344304139 /nfs/dbraw/zinc/30/41/39/344304139.db2.gz JMDPAKQDWUSTBB-UHFFFAOYSA-N 1 2 209.249 1.014 20 0 BDADLO COC(=O)c1sc(Cn2cc[nH+]c2)nc1C ZINC000395537458 344430214 /nfs/dbraw/zinc/43/02/14/344430214.db2.gz NXZRSKAUDYECKB-UHFFFAOYSA-N 1 2 237.284 1.483 20 0 BDADLO CCOC(=O)c1cncc(-c2c[nH]c(C)[nH+]2)c1 ZINC000600788607 344374088 /nfs/dbraw/zinc/37/40/88/344374088.db2.gz FEXJHZHAKKNJQY-UHFFFAOYSA-N 1 2 231.255 1.957 20 0 BDADLO C[C@@H](O)C[C@H](C)CNc1cc[nH+]cc1F ZINC000641388637 362388170 /nfs/dbraw/zinc/38/81/70/362388170.db2.gz CMPRDXYBJYBYSO-DTWKUNHWSA-N 1 2 212.268 1.462 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](OC)C1CC1 ZINC000400228555 344435216 /nfs/dbraw/zinc/43/52/16/344435216.db2.gz QOOKGLCKJKGNON-NWDGAFQWSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccn(C)n2)sc1C ZINC000097988994 344404944 /nfs/dbraw/zinc/40/49/44/344404944.db2.gz ZXHJPSSBXKPMFW-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO c1nc(C[NH2+]CCN2CCCCC2)cs1 ZINC000042226430 344448028 /nfs/dbraw/zinc/44/80/28/344448028.db2.gz YMNGERNLTCINCZ-UHFFFAOYSA-N 1 2 225.361 1.719 20 0 BDADLO COc1ccc[nH+]c1NCCOCC(F)F ZINC000234949019 344494146 /nfs/dbraw/zinc/49/41/46/344494146.db2.gz KMVLPTRKQKIETK-UHFFFAOYSA-N 1 2 232.230 1.784 20 0 BDADLO Fc1c[nH+]ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000641410954 362401196 /nfs/dbraw/zinc/40/11/96/362401196.db2.gz VDIRAZWCNGANJQ-DTORHVGOSA-N 1 2 208.236 1.588 20 0 BDADLO OCCCCN(c1cc(CO)cc[nH+]1)C1CC1 ZINC000641414952 362402249 /nfs/dbraw/zinc/40/22/49/362402249.db2.gz KSDDKICCKOIGHV-UHFFFAOYSA-N 1 2 236.315 1.315 20 0 BDADLO Cn1c[nH+]c(CSc2nnc(C3CC3)n2C)c1 ZINC000641415392 362402263 /nfs/dbraw/zinc/40/22/63/362402263.db2.gz OVMUGYQCYJWCPV-UHFFFAOYSA-N 1 2 249.343 1.718 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC000044623161 344544542 /nfs/dbraw/zinc/54/45/42/344544542.db2.gz MVZUDJTXXFIUDZ-JTQLQIEISA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC000044623161 344544543 /nfs/dbraw/zinc/54/45/43/344544543.db2.gz MVZUDJTXXFIUDZ-JTQLQIEISA-N 1 2 225.292 1.068 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152510485 344590268 /nfs/dbraw/zinc/59/02/68/344590268.db2.gz GOHVBUGORNONTJ-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CC[C@H](O)CC2)c1 ZINC000641460225 362432939 /nfs/dbraw/zinc/43/29/39/362432939.db2.gz PYUJFJVEGNPKLR-XYPYZODXSA-N 1 2 222.288 1.289 20 0 BDADLO CC(C)(O)[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641468386 362436437 /nfs/dbraw/zinc/43/64/37/362436437.db2.gz KVKOEUCSOLWCJD-LLVKDONJSA-N 1 2 224.279 1.960 20 0 BDADLO C[C@@H]1C[C@H](CNc2cc[nH+]cc2F)CCO1 ZINC000641477829 362446528 /nfs/dbraw/zinc/44/65/28/362446528.db2.gz LVAZPGZCMFMKBI-NXEZZACHSA-N 1 2 224.279 1.870 20 0 BDADLO CO[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C1(C)C ZINC000641426489 362410815 /nfs/dbraw/zinc/41/08/15/362410815.db2.gz QXMPHGVMMYHLJS-GHMZBOCLSA-N 1 2 236.315 1.799 20 0 BDADLO C[C@@H](CO[C@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641428118 362411621 /nfs/dbraw/zinc/41/16/21/362411621.db2.gz DHHIHHJIKGIUTR-UWVGGRQHSA-N 1 2 240.278 1.249 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000048584215 344588911 /nfs/dbraw/zinc/58/89/11/344588911.db2.gz FKIPNPWSGCHWDV-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000048584215 344588914 /nfs/dbraw/zinc/58/89/14/344588914.db2.gz FKIPNPWSGCHWDV-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)[C@@H]1CCCOC1 ZINC000641484392 362452219 /nfs/dbraw/zinc/45/22/19/362452219.db2.gz PICWUYHIZIHRGV-ZYHUDNBSSA-N 1 2 236.315 1.801 20 0 BDADLO CC(C)[C@@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641483948 362452237 /nfs/dbraw/zinc/45/22/37/362452237.db2.gz YGXSKDHRKXHUBA-LBPRGKRZSA-N 1 2 236.315 1.435 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)[C@H]1CCCOC1 ZINC000641484390 362452586 /nfs/dbraw/zinc/45/25/86/362452586.db2.gz PICWUYHIZIHRGV-JQWIXIFHSA-N 1 2 236.315 1.801 20 0 BDADLO CSC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603293356 349914494 /nfs/dbraw/zinc/91/44/94/349914494.db2.gz NBEPPTZJNOHYHR-MRVPVSSYSA-N 1 2 212.318 1.737 20 0 BDADLO CN(Cc1cccn1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492872553 530005491 /nfs/dbraw/zinc/00/54/91/530005491.db2.gz YZILCPSCIRTHOZ-WAYWQWQTSA-N 1 2 244.298 1.420 20 0 BDADLO CC1(C)CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000620736210 344680656 /nfs/dbraw/zinc/68/06/56/344680656.db2.gz QHBASMWASQRNPN-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626006706 344665236 /nfs/dbraw/zinc/66/52/36/344665236.db2.gz GSZAEGIZWBTBGE-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cnccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626006706 344665237 /nfs/dbraw/zinc/66/52/37/344665237.db2.gz GSZAEGIZWBTBGE-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000626006935 344665864 /nfs/dbraw/zinc/66/58/64/344665864.db2.gz OSZCKCCCLXDVTF-VIFPVBQESA-N 1 2 230.308 1.704 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000626006935 344665866 /nfs/dbraw/zinc/66/58/66/344665866.db2.gz OSZCKCCCLXDVTF-VIFPVBQESA-N 1 2 230.308 1.704 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OC1CCC1 ZINC000496938551 530016280 /nfs/dbraw/zinc/01/62/80/530016280.db2.gz BGRAGKAQHNTFAI-UHFFFAOYSA-N 1 2 209.249 1.531 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OC1CCC1 ZINC000496938551 530016281 /nfs/dbraw/zinc/01/62/81/530016281.db2.gz BGRAGKAQHNTFAI-UHFFFAOYSA-N 1 2 209.249 1.531 20 0 BDADLO CN(Cc1cscn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900954 530019846 /nfs/dbraw/zinc/01/98/46/530019846.db2.gz OFGVFGIMZWSHJP-IHWYPQMZSA-N 1 2 248.311 1.538 20 0 BDADLO C[C@H](NC(=O)c1ccccn1)c1[nH+]ccn1C ZINC000082278746 344714784 /nfs/dbraw/zinc/71/47/84/344714784.db2.gz GVMDYNGYIVOFKS-VIFPVBQESA-N 1 2 230.271 1.306 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccs1 ZINC000574218207 344715804 /nfs/dbraw/zinc/71/58/04/344715804.db2.gz UWOMFNIMPWDJFS-VIFPVBQESA-N 1 2 249.339 1.966 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccs1 ZINC000574218207 344715805 /nfs/dbraw/zinc/71/58/05/344715805.db2.gz UWOMFNIMPWDJFS-VIFPVBQESA-N 1 2 249.339 1.966 20 0 BDADLO CC[N@H+](CCC(=O)OC)Cc1cscn1 ZINC000050053835 344717835 /nfs/dbraw/zinc/71/78/35/344717835.db2.gz ZCWDNEUZEIWYHK-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO CC[N@@H+](CCC(=O)OC)Cc1cscn1 ZINC000050053835 344717837 /nfs/dbraw/zinc/71/78/37/344717837.db2.gz ZCWDNEUZEIWYHK-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153160216 344779941 /nfs/dbraw/zinc/77/99/41/344779941.db2.gz YYHDWTDVZUEGFV-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403739714 530025811 /nfs/dbraw/zinc/02/58/11/530025811.db2.gz MCZGGDDOPJXVES-GMTAPVOTSA-N 1 2 233.315 1.804 20 0 BDADLO C[C@@H]([NH2+]Cc1nncn1C)c1ccsc1 ZINC000050344159 344783368 /nfs/dbraw/zinc/78/33/68/344783368.db2.gz UOSGPJDJWJGEBC-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1ncc(CC)o1 ZINC000075683764 344784635 /nfs/dbraw/zinc/78/46/35/344784635.db2.gz HRHFDHKXPFDXHO-UHFFFAOYSA-N 1 2 240.303 1.622 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1ncc(CC)o1 ZINC000075683764 344784637 /nfs/dbraw/zinc/78/46/37/344784637.db2.gz HRHFDHKXPFDXHO-UHFFFAOYSA-N 1 2 240.303 1.622 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000628140458 344805507 /nfs/dbraw/zinc/80/55/07/344805507.db2.gz LGUOQDWWKPLKSG-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000628140458 344805508 /nfs/dbraw/zinc/80/55/08/344805508.db2.gz LGUOQDWWKPLKSG-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000628140459 344805513 /nfs/dbraw/zinc/80/55/13/344805513.db2.gz LGUOQDWWKPLKSG-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000628140459 344805514 /nfs/dbraw/zinc/80/55/14/344805514.db2.gz LGUOQDWWKPLKSG-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC000078253502 344837614 /nfs/dbraw/zinc/83/76/14/344837614.db2.gz GGDRZYKLAHIUSV-WPRPVWTQSA-N 1 2 209.293 1.604 20 0 BDADLO CCc1nnc([C@@H](C)N(C)Cc2[nH+]ccn2C)o1 ZINC000153467838 344883728 /nfs/dbraw/zinc/88/37/28/344883728.db2.gz GMVMKNRUCJHNHU-SECBINFHSA-N 1 2 249.318 1.559 20 0 BDADLO CC[N@H+](Cc1cncn1C)Cc1ccccn1 ZINC000119757914 344862482 /nfs/dbraw/zinc/86/24/82/344862482.db2.gz WNZGGNQOFGJLRQ-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cncn1C)Cc1ccccn1 ZINC000119757914 344862485 /nfs/dbraw/zinc/86/24/85/344862485.db2.gz WNZGGNQOFGJLRQ-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO COCSc1[nH+]cnc2c1cnn2C ZINC000078415502 344864164 /nfs/dbraw/zinc/86/41/64/344864164.db2.gz TUSSNDXVGPCQSM-UHFFFAOYSA-N 1 2 210.262 1.059 20 0 BDADLO Cc1ccncc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583391561 344878088 /nfs/dbraw/zinc/87/80/88/344878088.db2.gz YUNUHJRLDUFDIS-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@@H](F)C2)c1 ZINC000641552402 362496003 /nfs/dbraw/zinc/49/60/03/362496003.db2.gz IYACOTYGNITYTK-SNVBAGLBSA-N 1 2 210.252 1.512 20 0 BDADLO O=C1C[C@]2(CN1)CCCN(c1cccc[nH+]1)C2 ZINC000078569064 344884617 /nfs/dbraw/zinc/88/46/17/344884617.db2.gz VOKOONKZBYELGX-ZDUSSCGKSA-N 1 2 231.299 1.188 20 0 BDADLO C[N@@H+]1CCC[C@@H](NCc2nccs2)C1 ZINC000082394404 344905870 /nfs/dbraw/zinc/90/58/70/344905870.db2.gz RVYZTWCRYLEBFJ-SECBINFHSA-N 1 2 211.334 1.327 20 0 BDADLO C[N@H+]1CCC[C@@H](NCc2nccs2)C1 ZINC000082394404 344905871 /nfs/dbraw/zinc/90/58/71/344905871.db2.gz RVYZTWCRYLEBFJ-SECBINFHSA-N 1 2 211.334 1.327 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000583419511 344930450 /nfs/dbraw/zinc/93/04/50/344930450.db2.gz MDUWQKKJQHVYHY-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000583419511 344930453 /nfs/dbraw/zinc/93/04/53/344930453.db2.gz MDUWQKKJQHVYHY-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@H]2c2nncn2C)[nH+]1 ZINC000628186272 344936880 /nfs/dbraw/zinc/93/68/80/344936880.db2.gz DRPMPEHEMNIKRT-JTQLQIEISA-N 1 2 246.318 1.184 20 0 BDADLO Cc1c[nH]c(CN2CCOCC23CCC3)[nH+]1 ZINC000628179451 344915016 /nfs/dbraw/zinc/91/50/16/344915016.db2.gz AJKQLARLDHRHLC-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000578765878 344915196 /nfs/dbraw/zinc/91/51/96/344915196.db2.gz QXSRRRGCTJIVMX-AVGNSLFASA-N 1 2 247.342 1.691 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cccn2C)o1 ZINC000628181757 344920807 /nfs/dbraw/zinc/92/08/07/344920807.db2.gz OWLMHDOHMBMGKZ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cccn2C)o1 ZINC000628181757 344920808 /nfs/dbraw/zinc/92/08/08/344920808.db2.gz OWLMHDOHMBMGKZ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1[nH]cc[nH+]1 ZINC000122414812 344957460 /nfs/dbraw/zinc/95/74/60/344957460.db2.gz ZXLLBBNRGAISHJ-SSDOTTSWSA-N 1 2 213.306 1.168 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](c3ccco3)C2)[nH+]1 ZINC000628187939 344940890 /nfs/dbraw/zinc/94/08/90/344940890.db2.gz HFMBRACBZPVJMV-GFCCVEGCSA-N 1 2 247.298 1.885 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000335306375 534979784 /nfs/dbraw/zinc/97/97/84/534979784.db2.gz JUHMMPCVXIVRPX-GHMZBOCLSA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000335306375 534979787 /nfs/dbraw/zinc/97/97/87/534979787.db2.gz JUHMMPCVXIVRPX-GHMZBOCLSA-N 1 2 240.347 1.153 20 0 BDADLO CCn1cc[nH+]c1CN(CC(=O)OC)C1CC1 ZINC000079500008 344981627 /nfs/dbraw/zinc/98/16/27/344981627.db2.gz KQQVQAIIIXDTOY-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1CCC1 ZINC000079577371 344991886 /nfs/dbraw/zinc/99/18/86/344991886.db2.gz ACWMEIQJQMPTQC-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO Cc1cncc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000079577754 344997130 /nfs/dbraw/zinc/99/71/30/344997130.db2.gz QNMGCHNZGORDAY-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO CN1C[C@@H]2[C@@H](CCCN2c2cc[nH+]cc2F)C1=O ZINC000641573638 362513852 /nfs/dbraw/zinc/51/38/52/362513852.db2.gz ZMAOEDJMSGLXQG-BXKDBHETSA-N 1 2 249.289 1.278 20 0 BDADLO Cn1c[nH+]c(CS[C@H]2CCCOC2)c1 ZINC000603321129 349922311 /nfs/dbraw/zinc/92/23/11/349922311.db2.gz BCKJEZGSCJHQFC-JTQLQIEISA-N 1 2 212.318 1.832 20 0 BDADLO OCc1cc[nH+]c(NCc2nnc(C3CC3)[nH]2)c1 ZINC000641615239 362547787 /nfs/dbraw/zinc/54/77/87/362547787.db2.gz IZPMAQBJFPREOO-UHFFFAOYSA-N 1 2 245.286 1.182 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC1(F)F ZINC000673380555 488282865 /nfs/dbraw/zinc/28/28/65/488282865.db2.gz PWDNICREVKPXEC-VIFPVBQESA-N 1 2 243.257 1.267 20 0 BDADLO COCCOCCN(C)c1cc[nH+]cc1F ZINC000641600230 362539300 /nfs/dbraw/zinc/53/93/00/362539300.db2.gz HZMPLEMLHAYTQY-UHFFFAOYSA-N 1 2 228.267 1.320 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2c1OCCO2 ZINC000080207304 345120177 /nfs/dbraw/zinc/12/01/77/345120177.db2.gz MISLHPAFCOVVIR-UHFFFAOYSA-N 1 2 245.282 1.803 20 0 BDADLO C[C@@H]1SCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641646666 362572216 /nfs/dbraw/zinc/57/22/16/362572216.db2.gz LLFRDZOKDBUAJN-CBAPKCEASA-N 1 2 212.293 1.949 20 0 BDADLO CC[C@@H](C)C[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641646518 362572651 /nfs/dbraw/zinc/57/26/51/362572651.db2.gz UBYAIHBCPDLWES-ZYHUDNBSSA-N 1 2 238.331 1.783 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155772444 345101849 /nfs/dbraw/zinc/10/18/49/345101849.db2.gz JORUHJUTTJRKPS-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO Cc1nc(NCc2cn(C3CCC3)nn2)cc[nH+]1 ZINC000641651926 362578697 /nfs/dbraw/zinc/57/86/97/362578697.db2.gz NFVGXXHDJXHUJC-UHFFFAOYSA-N 1 2 244.302 1.136 20 0 BDADLO Cc1cnc(CCNc2cc(CO)cc[nH+]2)cn1 ZINC000641626311 362555444 /nfs/dbraw/zinc/55/54/44/362555444.db2.gz IPRGGNSCPXMJIS-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO OCc1cc[nH+]c(NCCC[C@@H]2CCOC2)c1 ZINC000641630843 362561920 /nfs/dbraw/zinc/56/19/20/362561920.db2.gz WTLDGVQXWIIZNS-LLVKDONJSA-N 1 2 236.315 1.224 20 0 BDADLO CC[C@](C)(CNc1cc(CO)cc[nH+]1)OC ZINC000641631441 362562668 /nfs/dbraw/zinc/56/26/68/362562668.db2.gz CQPAEACKVWVVLR-GFCCVEGCSA-N 1 2 224.304 1.801 20 0 BDADLO CO[C@@H]([C@H](C)Nc1cc[nH+]cc1F)C1CC1 ZINC000641631950 362563474 /nfs/dbraw/zinc/56/34/74/362563474.db2.gz YMSRUDDVTDUMEM-UFBFGSQYSA-N 1 2 224.279 1.868 20 0 BDADLO C[C@@H]1[C@@H](CO)CCCN1c1cc[nH+]cc1F ZINC000641639744 362566811 /nfs/dbraw/zinc/56/68/11/362566811.db2.gz XANQQFMRXNNMLY-NXEZZACHSA-N 1 2 224.279 1.818 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC1(F)F ZINC000673381545 488283614 /nfs/dbraw/zinc/28/36/14/488283614.db2.gz KLBJPUOYPABQEL-SECBINFHSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC1(F)F ZINC000673381545 488283617 /nfs/dbraw/zinc/28/36/17/488283617.db2.gz KLBJPUOYPABQEL-SECBINFHSA-N 1 2 243.257 1.646 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1ccon1 ZINC000634981568 345161307 /nfs/dbraw/zinc/16/13/07/345161307.db2.gz MFTWWDQRTWJUDD-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)[C@@H](O)C(F)(F)F ZINC000634988022 345170037 /nfs/dbraw/zinc/17/00/37/345170037.db2.gz KOYZZFOKXAKSGU-CAHLUQPWSA-N 1 2 224.182 1.076 20 0 BDADLO COc1cc(C[NH2+]Cc2ccon2)ccn1 ZINC000634951960 345128178 /nfs/dbraw/zinc/12/81/78/345128178.db2.gz LGMOMXRUUQCXLL-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CN(C)c1ccc(NCc2ccon2)c[nH+]1 ZINC000634969634 345147178 /nfs/dbraw/zinc/14/71/78/345147178.db2.gz UGBDOSCIQSAMLA-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@@H](C)C2)[nH+]1 ZINC000635063629 345234846 /nfs/dbraw/zinc/23/48/46/345234846.db2.gz MWEVABWDQOUWNY-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO CCOCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635075896 345240782 /nfs/dbraw/zinc/24/07/82/345240782.db2.gz DHDOOWCJXMNCEA-NXEZZACHSA-N 1 2 237.303 1.056 20 0 BDADLO CCOCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635075896 345240785 /nfs/dbraw/zinc/24/07/85/345240785.db2.gz DHDOOWCJXMNCEA-NXEZZACHSA-N 1 2 237.303 1.056 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635077556 345241591 /nfs/dbraw/zinc/24/15/91/345241591.db2.gz GJLUROQXJHPQQZ-HBNTYKKESA-N 1 2 233.315 1.914 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635077556 345241595 /nfs/dbraw/zinc/24/15/95/345241595.db2.gz GJLUROQXJHPQQZ-HBNTYKKESA-N 1 2 233.315 1.914 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000635015460 345220368 /nfs/dbraw/zinc/22/03/68/345220368.db2.gz FJXVNJNQBNLFHY-GFCCVEGCSA-N 1 2 249.314 1.452 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000635015460 345220370 /nfs/dbraw/zinc/22/03/70/345220370.db2.gz FJXVNJNQBNLFHY-GFCCVEGCSA-N 1 2 249.314 1.452 20 0 BDADLO CC(C)C[C@H](C(=O)N(C)C)n1cc[nH+]c1 ZINC000635203859 345270645 /nfs/dbraw/zinc/27/06/45/345270645.db2.gz OTEZAYLUANXSAF-SNVBAGLBSA-N 1 2 209.293 1.559 20 0 BDADLO CCc1c[nH]c(CC(=O)N(CC)C2CC2)[nH+]1 ZINC000635215928 345274706 /nfs/dbraw/zinc/27/47/06/345274706.db2.gz PVUOMZSXCCCOMZ-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO CC1(C)C[N@H+](Cc2cncs2)C[C@H](CO)O1 ZINC000158734360 345371525 /nfs/dbraw/zinc/37/15/25/345371525.db2.gz NFFKHSZDWFUQEZ-SECBINFHSA-N 1 2 242.344 1.115 20 0 BDADLO CC1(C)C[N@@H+](Cc2cncs2)C[C@H](CO)O1 ZINC000158734360 345371526 /nfs/dbraw/zinc/37/15/26/345371526.db2.gz NFFKHSZDWFUQEZ-SECBINFHSA-N 1 2 242.344 1.115 20 0 BDADLO CC(C)C[C@@H](C(=O)N=c1cc[nH][nH]1)n1cc[nH+]c1 ZINC000635445130 345374371 /nfs/dbraw/zinc/37/43/71/345374371.db2.gz VOHAWZIQFUJQPC-JTQLQIEISA-N 1 2 247.302 1.254 20 0 BDADLO CCc1cc(N2CC(O)(C(F)F)C2)nc(C)[nH+]1 ZINC000425272299 192087429 /nfs/dbraw/zinc/08/74/29/192087429.db2.gz FYVZRWAAZWFWGJ-UHFFFAOYSA-N 1 2 243.257 1.164 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CCOC)[nH+]1 ZINC000635464318 345381487 /nfs/dbraw/zinc/38/14/87/345381487.db2.gz FKBNXMDCLUXPHI-VIFPVBQESA-N 1 2 239.319 1.056 20 0 BDADLO CO[C@@]1(CO)CCCN(c2cc[nH+]cc2F)C1 ZINC000641660054 362584986 /nfs/dbraw/zinc/58/49/86/362584986.db2.gz ZOZQXTNLPASMIF-LBPRGKRZSA-N 1 2 240.278 1.198 20 0 BDADLO O[C@@H]1CCN(c2cc[nH+]cc2F)CC1(F)F ZINC000641659612 362585639 /nfs/dbraw/zinc/58/56/39/362585639.db2.gz RQSVOKDDSCFXKB-SECBINFHSA-N 1 2 232.205 1.427 20 0 BDADLO Cc1nc(N2CC([C@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000641660113 362586498 /nfs/dbraw/zinc/58/64/98/362586498.db2.gz WMJDMHUPPJBDKL-VIFPVBQESA-N 1 2 221.304 1.219 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000641666357 362589158 /nfs/dbraw/zinc/58/91/58/362589158.db2.gz DONMODKQFSFOCB-NEPJUHHUSA-N 1 2 234.299 1.047 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000081256074 345466757 /nfs/dbraw/zinc/46/67/57/345466757.db2.gz PFBHYVPXVMNEKQ-SNVBAGLBSA-N 1 2 209.293 1.530 20 0 BDADLO CCCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081308974 345469875 /nfs/dbraw/zinc/46/98/75/345469875.db2.gz IUHWKTDDXLLGTM-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081308974 345469877 /nfs/dbraw/zinc/46/98/77/345469877.db2.gz IUHWKTDDXLLGTM-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000081436143 345474857 /nfs/dbraw/zinc/47/48/57/345474857.db2.gz VTAYSBLFOQAVCX-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+](C)C(C)C)n1 ZINC000081565858 345479113 /nfs/dbraw/zinc/47/91/13/345479113.db2.gz WUZDPVUIHGFUFM-QMMMGPOBSA-N 1 2 213.281 1.617 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000081565858 345479116 /nfs/dbraw/zinc/47/91/16/345479116.db2.gz WUZDPVUIHGFUFM-QMMMGPOBSA-N 1 2 213.281 1.617 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)C(C)C)n1 ZINC000081565853 345479188 /nfs/dbraw/zinc/47/91/88/345479188.db2.gz WUZDPVUIHGFUFM-MRVPVSSYSA-N 1 2 213.281 1.617 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000081565853 345479189 /nfs/dbraw/zinc/47/91/89/345479189.db2.gz WUZDPVUIHGFUFM-MRVPVSSYSA-N 1 2 213.281 1.617 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000378756121 345546739 /nfs/dbraw/zinc/54/67/39/345546739.db2.gz YENMRKNLLNFZEB-VHSXEESVSA-N 1 2 207.277 1.500 20 0 BDADLO CCCN(CC(=O)NC)c1cccc[nH+]1 ZINC000091484388 345594756 /nfs/dbraw/zinc/59/47/56/345594756.db2.gz XTKZWKHGFNPDSQ-UHFFFAOYSA-N 1 2 207.277 1.044 20 0 BDADLO C[C@@H]1CCC[C@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539257 345597639 /nfs/dbraw/zinc/59/76/39/345597639.db2.gz OAKRRPLPWNZBIC-BDAKNGLRSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539257 345597641 /nfs/dbraw/zinc/59/76/41/345597641.db2.gz OAKRRPLPWNZBIC-BDAKNGLRSA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091578796 345598232 /nfs/dbraw/zinc/59/82/32/345598232.db2.gz XTHZCQZHXMGRRI-SECBINFHSA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091578796 345598235 /nfs/dbraw/zinc/59/82/35/345598235.db2.gz XTHZCQZHXMGRRI-SECBINFHSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)S1=O ZINC000603358420 349932460 /nfs/dbraw/zinc/93/24/60/349932460.db2.gz MWXOWMVDZDWPBR-RKDXNWHRSA-N 1 2 242.319 1.566 20 0 BDADLO CCC[C@]1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091588080 345599212 /nfs/dbraw/zinc/59/92/12/345599212.db2.gz DYDDXUOJMKEWJI-GFCCVEGCSA-N 1 2 238.335 1.500 20 0 BDADLO CCC[C@]1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091588080 345599216 /nfs/dbraw/zinc/59/92/16/345599216.db2.gz DYDDXUOJMKEWJI-GFCCVEGCSA-N 1 2 238.335 1.500 20 0 BDADLO C[C@@H]1CCC[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091581520 345599537 /nfs/dbraw/zinc/59/95/37/345599537.db2.gz CQJACWKIZKPJSJ-BDAKNGLRSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091581520 345599539 /nfs/dbraw/zinc/59/95/39/345599539.db2.gz CQJACWKIZKPJSJ-BDAKNGLRSA-N 1 2 224.308 1.109 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCO[C@H]1C ZINC000092373885 345617873 /nfs/dbraw/zinc/61/78/73/345617873.db2.gz BIWKUUCNUXZKIQ-VHSXEESVSA-N 1 2 220.272 1.754 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCCCO1 ZINC000092427962 345619917 /nfs/dbraw/zinc/61/99/17/345619917.db2.gz CLZNYEHKVDWVID-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCCCO1 ZINC000092427962 345619918 /nfs/dbraw/zinc/61/99/18/345619918.db2.gz CLZNYEHKVDWVID-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CCCCO1 ZINC000092427962 345619921 /nfs/dbraw/zinc/61/99/21/345619921.db2.gz CLZNYEHKVDWVID-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CCCCO1 ZINC000092427962 345619923 /nfs/dbraw/zinc/61/99/23/345619923.db2.gz CLZNYEHKVDWVID-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO CCc1cc(OCC(=O)NC)c2ccccc2[nH+]1 ZINC000092333904 345630609 /nfs/dbraw/zinc/63/06/09/345630609.db2.gz KDVCHGBPKIZMGM-UHFFFAOYSA-N 1 2 244.294 1.922 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000635552389 345633123 /nfs/dbraw/zinc/63/31/23/345633123.db2.gz QXDJSCSUCHPSEB-NSHDSACASA-N 1 2 236.315 1.548 20 0 BDADLO Cc1ccc(F)c(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000093101475 345657084 /nfs/dbraw/zinc/65/70/84/345657084.db2.gz HEFZROONUKOPTB-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1ccc(F)c(C[N@H+]2CCNC(=O)CC2)c1 ZINC000093101475 345657086 /nfs/dbraw/zinc/65/70/86/345657086.db2.gz HEFZROONUKOPTB-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000093508763 345662399 /nfs/dbraw/zinc/66/23/99/345662399.db2.gz DBBIQXWCSIHTBQ-LLVKDONJSA-N 1 2 239.315 1.773 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000093508763 345662403 /nfs/dbraw/zinc/66/24/03/345662403.db2.gz DBBIQXWCSIHTBQ-LLVKDONJSA-N 1 2 239.315 1.773 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C)o2)C1 ZINC000093887473 345667257 /nfs/dbraw/zinc/66/72/57/345667257.db2.gz SBJNEUHPGVUIMA-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000093887473 345667259 /nfs/dbraw/zinc/66/72/59/345667259.db2.gz SBJNEUHPGVUIMA-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO C[C@@H]1C[C@H](CO)CCN1c1cc(CO)cc[nH+]1 ZINC000641679290 362600946 /nfs/dbraw/zinc/60/09/46/362600946.db2.gz NHZUIGXBLVSLPO-ZYHUDNBSSA-N 1 2 236.315 1.171 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]1C1CC1 ZINC000622637014 345696770 /nfs/dbraw/zinc/69/67/70/345696770.db2.gz OGUDQBDXYYUXSQ-LBPRGKRZSA-N 1 2 233.315 1.364 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)C(F)F)[nH+]1 ZINC000641729609 362644730 /nfs/dbraw/zinc/64/47/30/362644730.db2.gz JCDBQIGLUXMMDF-RXMQYKEDSA-N 1 2 226.230 1.754 20 0 BDADLO CC[C@@H](Cn1ncc2c1nc[nH+]c2NC)OC ZINC000418941400 192090495 /nfs/dbraw/zinc/09/04/95/192090495.db2.gz KNSKRARTTFILHP-QMMMGPOBSA-N 1 2 235.291 1.293 20 0 BDADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ncc[nH]1)C2 ZINC000139431665 345692257 /nfs/dbraw/zinc/69/22/57/345692257.db2.gz VBHOUPPKFNXFBM-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1ncc2c(n1)CC[N@H+](Cc1ncc[nH]1)C2 ZINC000139431665 345692258 /nfs/dbraw/zinc/69/22/58/345692258.db2.gz VBHOUPPKFNXFBM-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO c1cn(CCC2CC2)c(CN2CCOCC2)[nH+]1 ZINC000641724669 362640106 /nfs/dbraw/zinc/64/01/06/362640106.db2.gz GGBRFLWIQLMFDG-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635554656 345695129 /nfs/dbraw/zinc/69/51/29/345695129.db2.gz SMONWVIFVNUWEG-OPRDCNLKSA-N 1 2 233.315 1.676 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635554656 345695131 /nfs/dbraw/zinc/69/51/31/345695131.db2.gz SMONWVIFVNUWEG-OPRDCNLKSA-N 1 2 233.315 1.676 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000144546975 345709005 /nfs/dbraw/zinc/70/90/05/345709005.db2.gz IAVQJLNCHKTPOI-SECBINFHSA-N 1 2 205.257 1.736 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000144546975 345709008 /nfs/dbraw/zinc/70/90/08/345709008.db2.gz IAVQJLNCHKTPOI-SECBINFHSA-N 1 2 205.257 1.736 20 0 BDADLO COc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000140750420 345822281 /nfs/dbraw/zinc/82/22/81/345822281.db2.gz GTPIMRKXAPDWMS-MRVPVSSYSA-N 1 2 246.270 1.304 20 0 BDADLO Cc1cccc(C[N@@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000051576575 345855305 /nfs/dbraw/zinc/85/53/05/345855305.db2.gz YZYNOLDXNCZGEW-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cccc(C[N@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000051576575 345855309 /nfs/dbraw/zinc/85/53/09/345855309.db2.gz YZYNOLDXNCZGEW-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO CCn1cc(CCOc2cc[nH+]cc2)cn1 ZINC000418955067 192092080 /nfs/dbraw/zinc/09/20/80/192092080.db2.gz PFGDYULXMRHPIU-UHFFFAOYSA-N 1 2 217.272 1.920 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000588963557 345835693 /nfs/dbraw/zinc/83/56/93/345835693.db2.gz WHDNMHRGBUSPRR-ZJUUUORDSA-N 1 2 245.363 1.571 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(c2cc(N)nc[nH+]2)C1 ZINC000082427775 345909597 /nfs/dbraw/zinc/90/95/97/345909597.db2.gz VCFASFMRUIHMQN-RKDXNWHRSA-N 1 2 206.293 1.541 20 0 BDADLO CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635645377 345921407 /nfs/dbraw/zinc/92/14/07/345921407.db2.gz DCNDLFBFKZOGGX-RKDXNWHRSA-N 1 2 219.288 1.430 20 0 BDADLO CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635645377 345921409 /nfs/dbraw/zinc/92/14/09/345921409.db2.gz DCNDLFBFKZOGGX-RKDXNWHRSA-N 1 2 219.288 1.430 20 0 BDADLO Cc1[nH]cnc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000635670082 345970186 /nfs/dbraw/zinc/97/01/86/345970186.db2.gz IUJORMNPBNQFJK-UHFFFAOYSA-N 1 2 230.271 1.982 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000635676137 345972657 /nfs/dbraw/zinc/97/26/57/345972657.db2.gz WBGDCOYNAHCMNR-WRWGMCAJSA-N 1 2 245.326 1.772 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000635676137 345972659 /nfs/dbraw/zinc/97/26/59/345972659.db2.gz WBGDCOYNAHCMNR-WRWGMCAJSA-N 1 2 245.326 1.772 20 0 BDADLO COC(=O)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000074859408 345981902 /nfs/dbraw/zinc/98/19/02/345981902.db2.gz JESKIZSCUFIFLR-UHFFFAOYSA-N 1 2 247.254 1.226 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635702094 345989975 /nfs/dbraw/zinc/98/99/75/345989975.db2.gz VKLNEMKMRIIASH-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635702094 345989976 /nfs/dbraw/zinc/98/99/76/345989976.db2.gz VKLNEMKMRIIASH-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO CCOC(=O)CCSCCn1cc[nH+]c1 ZINC000601096071 346023733 /nfs/dbraw/zinc/02/37/33/346023733.db2.gz ORBJOETYGJUGPF-UHFFFAOYSA-N 1 2 228.317 1.570 20 0 BDADLO Cc1[nH]nc2cc(NC(=O)[C@@H](C)[NH+](C)C)ccc12 ZINC000635760322 346053446 /nfs/dbraw/zinc/05/34/46/346053446.db2.gz QBRUFICKOHVQAM-SECBINFHSA-N 1 2 246.314 1.760 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H]2C(C)C)[nH+]1 ZINC000635771229 346059724 /nfs/dbraw/zinc/05/97/24/346059724.db2.gz TXBQCFVUJPYFQR-NSHDSACASA-N 1 2 235.331 1.772 20 0 BDADLO Cc1cc(N2CCC(CCO)CC2)nc[nH+]1 ZINC000401012567 346032304 /nfs/dbraw/zinc/03/23/04/346032304.db2.gz SGWPQEIDDHSUQT-UHFFFAOYSA-N 1 2 221.304 1.384 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](C2CC2)C1 ZINC000635748376 346047925 /nfs/dbraw/zinc/04/79/25/346047925.db2.gz BQPMYXDFECNTJS-QJPTWQEYSA-N 1 2 245.326 1.772 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000635748376 346047926 /nfs/dbraw/zinc/04/79/26/346047926.db2.gz BQPMYXDFECNTJS-QJPTWQEYSA-N 1 2 245.326 1.772 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)C(C)C ZINC000381492574 346076905 /nfs/dbraw/zinc/07/69/05/346076905.db2.gz YSISBVZXYUJSKJ-SFYZADRCSA-N 1 2 241.253 1.972 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CCC[C@@H]21 ZINC000635823801 346078393 /nfs/dbraw/zinc/07/83/93/346078393.db2.gz VOKHJDCFTMWKBS-UZWSLXQKSA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CCC[C@@H]21 ZINC000635823801 346078397 /nfs/dbraw/zinc/07/83/97/346078397.db2.gz VOKHJDCFTMWKBS-UZWSLXQKSA-N 1 2 245.326 1.914 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@@H](C)O)cs1 ZINC000051838171 346089980 /nfs/dbraw/zinc/08/99/80/346089980.db2.gz NFJPZQXGCILSQW-MRVPVSSYSA-N 1 2 214.334 1.518 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@@H](C)O)cs1 ZINC000051838171 346089983 /nfs/dbraw/zinc/08/99/83/346089983.db2.gz NFJPZQXGCILSQW-MRVPVSSYSA-N 1 2 214.334 1.518 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC(C)(F)C3)cc2[nH+]1 ZINC000635874656 346094544 /nfs/dbraw/zinc/09/45/44/346094544.db2.gz HRXJPDPCHHVRFW-UHFFFAOYSA-N 1 2 247.273 1.827 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635888353 346098987 /nfs/dbraw/zinc/09/89/87/346098987.db2.gz PUOVDTAUBCWYID-YUSALJHKSA-N 1 2 245.326 1.938 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635888353 346098989 /nfs/dbraw/zinc/09/89/89/346098989.db2.gz PUOVDTAUBCWYID-YUSALJHKSA-N 1 2 245.326 1.938 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)C[C@@H](C)OC)[nH+]1 ZINC000635924668 346115319 /nfs/dbraw/zinc/11/53/19/346115319.db2.gz AITXQZIPESSJBG-SECBINFHSA-N 1 2 239.319 1.008 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@@H]2C)[nH+]1 ZINC000635965774 346124820 /nfs/dbraw/zinc/12/48/20/346124820.db2.gz LWSFIPIPOSZGJX-BDAKNGLRSA-N 1 2 221.304 1.381 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]2CC)[nH+]1 ZINC000635957872 346132457 /nfs/dbraw/zinc/13/24/57/346132457.db2.gz PYGDPPHHESHWFG-JTQLQIEISA-N 1 2 221.304 1.526 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)o1 ZINC000628244749 346209188 /nfs/dbraw/zinc/20/91/88/346209188.db2.gz UNAMPFYKZXEUDD-IVZWLZJFSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)o1 ZINC000628244749 346209190 /nfs/dbraw/zinc/20/91/90/346209190.db2.gz UNAMPFYKZXEUDD-IVZWLZJFSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cccc(N(C)C)n2)o1 ZINC000628230724 346181558 /nfs/dbraw/zinc/18/15/58/346181558.db2.gz QWTDESSRHBCRPQ-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO Cc1c[nH]c(CN2CC[C@@H](C)[C@@H](F)C2)[nH+]1 ZINC000628234729 346188400 /nfs/dbraw/zinc/18/84/00/346188400.db2.gz LEWAEQKYDBEPKH-SCZZXKLOSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C(C)C)C2)[nH+]1 ZINC000628234986 346188543 /nfs/dbraw/zinc/18/85/43/346188543.db2.gz UVWUXSLKDSRURT-LLVKDONJSA-N 1 2 223.320 1.575 20 0 BDADLO CCCCCN(CC(N)=O)Cc1[nH]cc(C)[nH+]1 ZINC000628235981 346189688 /nfs/dbraw/zinc/18/96/88/346189688.db2.gz LDJUBTRYQJSIBB-UHFFFAOYSA-N 1 2 238.335 1.196 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000245572466 537955288 /nfs/dbraw/zinc/95/52/88/537955288.db2.gz YLCCAKASXJNLLP-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000245572466 537955297 /nfs/dbraw/zinc/95/52/97/537955297.db2.gz YLCCAKASXJNLLP-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2ccncc2)[nH+]1 ZINC000628237105 346193408 /nfs/dbraw/zinc/19/34/08/346193408.db2.gz AWNPJENNABXNTG-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000245572464 537955556 /nfs/dbraw/zinc/95/55/56/537955556.db2.gz YLCCAKASXJNLLP-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncnc2)C[C@@H](C)O1 ZINC000245572464 537955561 /nfs/dbraw/zinc/95/55/61/537955561.db2.gz YLCCAKASXJNLLP-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO Cc1c[nH]c(CN(CCO)c2ccccc2)[nH+]1 ZINC000628246818 346214288 /nfs/dbraw/zinc/21/42/88/346214288.db2.gz DSPTULJQMHABMV-UHFFFAOYSA-N 1 2 231.299 1.717 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)COCc1ccccc1 ZINC000136596654 346248347 /nfs/dbraw/zinc/24/83/47/346248347.db2.gz TYZQZELGXAWDIF-NSHDSACASA-N 1 2 245.269 1.419 20 0 BDADLO Cc1nc(C[NH+]2CC(C3CCOCC3)C2)[nH]c1C ZINC000628262752 346262512 /nfs/dbraw/zinc/26/25/12/346262512.db2.gz XVZRLWIXAPOSNN-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO Cc1[nH]c(CN2CC(C3CCOCC3)C2)[nH+]c1C ZINC000628262752 346262513 /nfs/dbraw/zinc/26/25/13/346262513.db2.gz XVZRLWIXAPOSNN-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCOC2)[nH]c1C ZINC000628271535 346282525 /nfs/dbraw/zinc/28/25/25/346282525.db2.gz GDONAZHJTCWRTG-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCCOC2)[nH]c1C ZINC000628271535 346282527 /nfs/dbraw/zinc/28/25/27/346282527.db2.gz GDONAZHJTCWRTG-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN(C)[C@H]2CCCOC2)[nH+]c1C ZINC000628271535 346282529 /nfs/dbraw/zinc/28/25/29/346282529.db2.gz GDONAZHJTCWRTG-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000631487005 346283620 /nfs/dbraw/zinc/28/36/20/346283620.db2.gz YWTWUFZJBNKKBS-LBPRGKRZSA-N 1 2 206.289 1.823 20 0 BDADLO C[C@H]1OCC[C@@]1(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000332917297 537966035 /nfs/dbraw/zinc/96/60/35/537966035.db2.gz ZDXCAUINLJNQEY-BXKDBHETSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@H]1OCC[C@@]1(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000332917297 537966043 /nfs/dbraw/zinc/96/60/43/537966043.db2.gz ZDXCAUINLJNQEY-BXKDBHETSA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291285077 349950252 /nfs/dbraw/zinc/95/02/52/349950252.db2.gz OUMHCRHRTGUAAS-LLVKDONJSA-N 1 2 248.330 1.597 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C)CC=CC2)[nH+]1 ZINC000636145975 346332875 /nfs/dbraw/zinc/33/28/75/346332875.db2.gz QEPOKDPOSBTYCL-UHFFFAOYSA-N 1 2 233.315 1.740 20 0 BDADLO CCc1ncc(CNc2cc(CO)cc[nH+]2)cn1 ZINC000641762142 362692747 /nfs/dbraw/zinc/69/27/47/362692747.db2.gz GKFGDAQVFPKFBF-UHFFFAOYSA-N 1 2 244.298 1.538 20 0 BDADLO CC(C)n1cc(CNc2cc(CO)cc[nH+]2)nn1 ZINC000641763116 362693970 /nfs/dbraw/zinc/69/39/70/362693970.db2.gz XFLXFTKXYNTPKY-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000155755760 346353528 /nfs/dbraw/zinc/35/35/28/346353528.db2.gz TXRWHVRRYRHWBV-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155755760 346353530 /nfs/dbraw/zinc/35/35/30/346353530.db2.gz TXRWHVRRYRHWBV-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO COCc1ccc(CNc2cc(CO)cc[nH+]2)o1 ZINC000641762277 362697068 /nfs/dbraw/zinc/69/70/68/362697068.db2.gz JVASPWLEBOMHQH-UHFFFAOYSA-N 1 2 248.282 1.925 20 0 BDADLO CCc1nc(CNc2cc(C)cc[nH+]2)n[nH]1 ZINC000295068657 346355017 /nfs/dbraw/zinc/35/50/17/346355017.db2.gz ZUNZXJBPUUKHEY-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(C)cn2)nn1C ZINC000641766360 362698237 /nfs/dbraw/zinc/69/82/37/362698237.db2.gz MFJPSOOYEROZMI-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636244674 346367473 /nfs/dbraw/zinc/36/74/73/346367473.db2.gz YIZKKOCNWNWHSD-JPPWEJMLSA-N 1 2 233.315 1.676 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636244674 346367477 /nfs/dbraw/zinc/36/74/77/346367477.db2.gz YIZKKOCNWNWHSD-JPPWEJMLSA-N 1 2 233.315 1.676 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636157683 346339465 /nfs/dbraw/zinc/33/94/65/346339465.db2.gz IFUPMPRWALQXHZ-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636157683 346339467 /nfs/dbraw/zinc/33/94/67/346339467.db2.gz IFUPMPRWALQXHZ-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636285439 346377423 /nfs/dbraw/zinc/37/74/23/346377423.db2.gz FZEQTSGAZWYKKB-BNEREYBLSA-N 1 2 205.261 1.206 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636285439 346377424 /nfs/dbraw/zinc/37/74/24/346377424.db2.gz FZEQTSGAZWYKKB-BNEREYBLSA-N 1 2 205.261 1.206 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@@H](C)c2nnnn2C)c1 ZINC000276438642 179070233 /nfs/dbraw/zinc/07/02/33/179070233.db2.gz ZZQZRXFXCKWBPQ-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@@H](C)c2nnnn2C)c1 ZINC000276438642 179070235 /nfs/dbraw/zinc/07/02/35/179070235.db2.gz ZZQZRXFXCKWBPQ-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000265898682 179077400 /nfs/dbraw/zinc/07/74/00/179077400.db2.gz UGHPCDQZYYBIFJ-UHFFFAOYSA-N 1 2 218.300 1.269 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000265898682 179077405 /nfs/dbraw/zinc/07/74/05/179077405.db2.gz UGHPCDQZYYBIFJ-UHFFFAOYSA-N 1 2 218.300 1.269 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)C(F)F ZINC000641792485 362727796 /nfs/dbraw/zinc/72/77/96/362727796.db2.gz WIMRGYGSKSSQRQ-SFYZADRCSA-N 1 2 215.247 1.961 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1F ZINC000679219235 488318695 /nfs/dbraw/zinc/31/86/95/488318695.db2.gz FKOZMQGABAWGDM-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1F ZINC000679219235 488318696 /nfs/dbraw/zinc/31/86/96/488318696.db2.gz FKOZMQGABAWGDM-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)C(F)F ZINC000641793631 362735904 /nfs/dbraw/zinc/73/59/04/362735904.db2.gz MJRAGFUATFBKHJ-SSDOTTSWSA-N 1 2 240.257 1.712 20 0 BDADLO CNC(=O)CCSCCCn1cc[nH+]c1 ZINC000580082061 346514815 /nfs/dbraw/zinc/51/48/15/346514815.db2.gz OKKJASRFCNWCPH-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@H]1CC=CCC1 ZINC000636805590 349971150 /nfs/dbraw/zinc/97/11/50/349971150.db2.gz GOIWHUFYABFGCS-QWRGUYRKSA-N 1 2 246.314 1.216 20 0 BDADLO C[C@@H](NC(=O)c1cc2n(n1)CCC2)c1[nH]cc[nH+]1 ZINC000580094211 346520202 /nfs/dbraw/zinc/52/02/02/346520202.db2.gz UQMCENNEQXNCEJ-MRVPVSSYSA-N 1 2 245.286 1.043 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000186736943 346532702 /nfs/dbraw/zinc/53/27/02/346532702.db2.gz MWQKUNGERWFABS-NSHDSACASA-N 1 2 243.310 1.840 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000186736957 346532963 /nfs/dbraw/zinc/53/29/63/346532963.db2.gz MWQKUNGERWFABS-LLVKDONJSA-N 1 2 243.310 1.840 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226425 488322291 /nfs/dbraw/zinc/32/22/91/488322291.db2.gz SAWVUTGPSFNZCL-OUAUKWLOSA-N 1 2 230.327 1.581 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226425 488322293 /nfs/dbraw/zinc/32/22/93/488322293.db2.gz SAWVUTGPSFNZCL-OUAUKWLOSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H](Cc1cccs1)NC(=O)Cn1cc[nH+]c1 ZINC000577155814 365841157 /nfs/dbraw/zinc/84/11/57/365841157.db2.gz MTJJSHPUZIKKSX-SNVBAGLBSA-N 1 2 249.339 1.692 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000336259763 179128170 /nfs/dbraw/zinc/12/81/70/179128170.db2.gz SDHBGLPYDDJGBK-LLVKDONJSA-N 1 2 236.290 1.977 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](F)C2)c1 ZINC000336259763 179128173 /nfs/dbraw/zinc/12/81/73/179128173.db2.gz SDHBGLPYDDJGBK-LLVKDONJSA-N 1 2 236.290 1.977 20 0 BDADLO Cc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1C ZINC000088357784 179141551 /nfs/dbraw/zinc/14/15/51/179141551.db2.gz KZZZQFSSRAGMOX-GFCCVEGCSA-N 1 2 234.299 1.230 20 0 BDADLO CCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589989782 346759674 /nfs/dbraw/zinc/75/96/74/346759674.db2.gz ZRJRUEKIHXJHKF-UHFFFAOYSA-N 1 2 234.299 1.861 20 0 BDADLO COC[C@]1(C)C[N@H+](CCC(F)(F)F)CCO1 ZINC000626174070 346747503 /nfs/dbraw/zinc/74/75/03/346747503.db2.gz JMMLVQYNDOBGNC-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO COC[C@]1(C)C[N@@H+](CCC(F)(F)F)CCO1 ZINC000626174070 346747504 /nfs/dbraw/zinc/74/75/04/346747504.db2.gz JMMLVQYNDOBGNC-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1snnc1C ZINC000571094467 323135145 /nfs/dbraw/zinc/13/51/45/323135145.db2.gz OZDRAAXGQJTGJM-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1snnc1C ZINC000571094467 323135146 /nfs/dbraw/zinc/13/51/46/323135146.db2.gz OZDRAAXGQJTGJM-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000571094470 323135180 /nfs/dbraw/zinc/13/51/80/323135180.db2.gz PAYGXOHTGQGRHN-SECBINFHSA-N 1 2 249.286 1.048 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000571094470 323135181 /nfs/dbraw/zinc/13/51/81/323135181.db2.gz PAYGXOHTGQGRHN-SECBINFHSA-N 1 2 249.286 1.048 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cc[nH]n1 ZINC000378675723 346802207 /nfs/dbraw/zinc/80/22/07/346802207.db2.gz OWGNELYVEBMNMT-UHFFFAOYSA-N 1 2 206.249 1.250 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000641827413 362775114 /nfs/dbraw/zinc/77/51/14/362775114.db2.gz BJIHBDJBGHEAAX-UTLUCORTSA-N 1 2 234.303 1.693 20 0 BDADLO Cc1cc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)no1 ZINC000309724766 347149465 /nfs/dbraw/zinc/14/94/65/347149465.db2.gz CTXUDAWGVVADAN-IUCAKERBSA-N 1 2 246.332 1.067 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC000185127339 347191867 /nfs/dbraw/zinc/19/18/67/347191867.db2.gz UHQHQGKYZWAAJU-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC000185127339 347191868 /nfs/dbraw/zinc/19/18/68/347191868.db2.gz UHQHQGKYZWAAJU-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cccc([C@@H](C)[NH2+]Cc2nnn(C)n2)c1C ZINC000194286576 179183221 /nfs/dbraw/zinc/18/32/21/179183221.db2.gz XZFXSEYWFHBLOB-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC000010809423 347203562 /nfs/dbraw/zinc/20/35/62/347203562.db2.gz IZSLGUJHGAYLJP-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCOCC1CCC1 ZINC000419210969 192104871 /nfs/dbraw/zinc/10/48/71/192104871.db2.gz WDOYJPHPUWIMJO-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOCC1CCC1 ZINC000419210969 192104873 /nfs/dbraw/zinc/10/48/73/192104873.db2.gz WDOYJPHPUWIMJO-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cc(NC(=O)c2ccc(=O)[nH]c2)cc[nH+]1 ZINC000072709784 347283913 /nfs/dbraw/zinc/28/39/13/347283913.db2.gz PJFZCZYHEVZESY-UHFFFAOYSA-N 1 2 229.239 1.331 20 0 BDADLO C[N@H+](Cc1ccc[nH]1)Cc1cnccn1 ZINC000190611896 347332619 /nfs/dbraw/zinc/33/26/19/347332619.db2.gz PGRLDONBHXGENV-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO C[N@@H+](Cc1ccc[nH]1)Cc1cnccn1 ZINC000190611896 347332620 /nfs/dbraw/zinc/33/26/20/347332620.db2.gz PGRLDONBHXGENV-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)N1CC=CC1 ZINC000636553058 347407003 /nfs/dbraw/zinc/40/70/03/347407003.db2.gz LZTPVLIQAXBBJG-UHFFFAOYSA-N 1 2 246.314 1.229 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)(C)C)CC2 ZINC000623720320 347397300 /nfs/dbraw/zinc/39/73/00/347397300.db2.gz CFMGXUHJRXJWKU-SNVBAGLBSA-N 1 2 235.331 1.669 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616921349 347451489 /nfs/dbraw/zinc/45/14/89/347451489.db2.gz NSGUAZOBJMFUNF-ONGXEEELSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616921349 347451492 /nfs/dbraw/zinc/45/14/92/347451492.db2.gz NSGUAZOBJMFUNF-ONGXEEELSA-N 1 2 237.303 1.183 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1C ZINC000616923101 347453991 /nfs/dbraw/zinc/45/39/91/347453991.db2.gz UTSONUJRQXPJSZ-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1C ZINC000616923101 347453994 /nfs/dbraw/zinc/45/39/94/347453994.db2.gz UTSONUJRQXPJSZ-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC=CCC1 ZINC000616922726 347454032 /nfs/dbraw/zinc/45/40/32/347454032.db2.gz GZBDYGPUWQRNCQ-SNVBAGLBSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC=CCC1 ZINC000616922726 347454036 /nfs/dbraw/zinc/45/40/36/347454036.db2.gz GZBDYGPUWQRNCQ-SNVBAGLBSA-N 1 2 219.288 1.724 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000382793164 347418613 /nfs/dbraw/zinc/41/86/13/347418613.db2.gz HVOSCIABYIOCFJ-MRVPVSSYSA-N 1 2 227.308 1.223 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000382793164 347418617 /nfs/dbraw/zinc/41/86/17/347418617.db2.gz HVOSCIABYIOCFJ-MRVPVSSYSA-N 1 2 227.308 1.223 20 0 BDADLO CCc1ocnc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925385 347456384 /nfs/dbraw/zinc/45/63/84/347456384.db2.gz FZFVUWSFZZTSBX-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CCc1ocnc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925385 347456387 /nfs/dbraw/zinc/45/63/87/347456387.db2.gz FZFVUWSFZZTSBX-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc(C2CC2)no1 ZINC000616928469 347495076 /nfs/dbraw/zinc/49/50/76/347495076.db2.gz ALPHEXMWZSTJDJ-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc(C2CC2)no1 ZINC000616928469 347495080 /nfs/dbraw/zinc/49/50/80/347495080.db2.gz ALPHEXMWZSTJDJ-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO COCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725843 347495953 /nfs/dbraw/zinc/49/59/53/347495953.db2.gz XPSWVTAMXVCINC-NSHDSACASA-N 1 2 237.303 1.083 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCCS1 ZINC000616927159 347459230 /nfs/dbraw/zinc/45/92/30/347459230.db2.gz BOGCXDHCMJMDMM-JTQLQIEISA-N 1 2 239.344 1.654 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCCS1 ZINC000616927159 347459232 /nfs/dbraw/zinc/45/92/32/347459232.db2.gz BOGCXDHCMJMDMM-JTQLQIEISA-N 1 2 239.344 1.654 20 0 BDADLO COC[C@@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927053 347459538 /nfs/dbraw/zinc/45/95/38/347459538.db2.gz ZWEXECZJRJKIPL-VIFPVBQESA-N 1 2 225.292 1.041 20 0 BDADLO COC[C@@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927053 347459540 /nfs/dbraw/zinc/45/95/40/347459540.db2.gz ZWEXECZJRJKIPL-VIFPVBQESA-N 1 2 225.292 1.041 20 0 BDADLO Cc1ccccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000065164132 179248534 /nfs/dbraw/zinc/24/85/34/179248534.db2.gz OWEMPQZCFGQVGO-UHFFFAOYSA-N 1 2 241.294 1.917 20 0 BDADLO Cc1ccccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000065164132 179248536 /nfs/dbraw/zinc/24/85/36/179248536.db2.gz OWEMPQZCFGQVGO-UHFFFAOYSA-N 1 2 241.294 1.917 20 0 BDADLO CC[C@H](C)N(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC000616977769 347559843 /nfs/dbraw/zinc/55/98/43/347559843.db2.gz MEXPNVYCXOLNIQ-VIFPVBQESA-N 1 2 223.320 1.908 20 0 BDADLO Cc1ccccc1CC[N@@H+](C)Cc1cnn[nH]1 ZINC000295665631 179263485 /nfs/dbraw/zinc/26/34/85/179263485.db2.gz IRYIVVWGSCJKHG-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccccc1CC[N@H+](C)Cc1cnn[nH]1 ZINC000295665631 179263487 /nfs/dbraw/zinc/26/34/87/179263487.db2.gz IRYIVVWGSCJKHG-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccccc1CC[N@@H+](C)Cc1c[nH]nn1 ZINC000295665631 179263491 /nfs/dbraw/zinc/26/34/91/179263491.db2.gz IRYIVVWGSCJKHG-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccccc1CC[N@H+](C)Cc1c[nH]nn1 ZINC000295665631 179263494 /nfs/dbraw/zinc/26/34/94/179263494.db2.gz IRYIVVWGSCJKHG-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccccc1CC[N@@H+](C)Cc1cn[nH]n1 ZINC000295665631 179263495 /nfs/dbraw/zinc/26/34/95/179263495.db2.gz IRYIVVWGSCJKHG-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccccc1CC[N@H+](C)Cc1cn[nH]n1 ZINC000295665631 179263498 /nfs/dbraw/zinc/26/34/98/179263498.db2.gz IRYIVVWGSCJKHG-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO COC(=O)CC1([NH2+]CC(F)F)CCC1 ZINC000590955333 347594176 /nfs/dbraw/zinc/59/41/76/347594176.db2.gz CYSCSNLDNINEFS-UHFFFAOYSA-N 1 2 207.220 1.327 20 0 BDADLO CC(C)(C)OC(=O)C1C[NH+](Cc2cn[nH]c2)C1 ZINC000590967838 347596828 /nfs/dbraw/zinc/59/68/28/347596828.db2.gz WECDSNRXOOEJQG-UHFFFAOYSA-N 1 2 237.303 1.183 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)Cn1cc[nH+]c1 ZINC000616976134 347549206 /nfs/dbraw/zinc/54/92/06/347549206.db2.gz MIFYTDBXLAOHAZ-SNVBAGLBSA-N 1 2 209.293 1.530 20 0 BDADLO COCC(C)(C)NC(=O)CCCn1cc[nH+]c1 ZINC000591191186 347629087 /nfs/dbraw/zinc/62/90/87/347629087.db2.gz IQKJVRNVEJAEKF-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000493225065 347646642 /nfs/dbraw/zinc/64/66/42/347646642.db2.gz UCPCSFXTDOKQQU-LDYOUVJNSA-N 1 2 245.282 1.145 20 0 BDADLO Cc1nc(CN2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000591867979 347708258 /nfs/dbraw/zinc/70/82/58/347708258.db2.gz VEZUXHCZEBNINJ-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000343474806 133686593 /nfs/dbraw/zinc/68/65/93/133686593.db2.gz LPAAWSGXKVPVDZ-XQQFMLRXSA-N 1 2 247.342 1.609 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000592376718 347771550 /nfs/dbraw/zinc/77/15/50/347771550.db2.gz FQRAXQSTPZAIAP-GARJFASQSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](CC(C)C)OC ZINC000419187802 192108605 /nfs/dbraw/zinc/10/86/05/192108605.db2.gz GLRUNKFBJKZLIB-SNVBAGLBSA-N 1 2 217.309 1.152 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](CC(C)C)OC ZINC000419187802 192108606 /nfs/dbraw/zinc/10/86/06/192108606.db2.gz GLRUNKFBJKZLIB-SNVBAGLBSA-N 1 2 217.309 1.152 20 0 BDADLO CC[N@H+](CCSC)Cc1cnns1 ZINC000592201821 347753799 /nfs/dbraw/zinc/75/37/99/347753799.db2.gz HVJHXWGGUYODCL-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CC[N@@H+](CCSC)Cc1cnns1 ZINC000592201821 347753802 /nfs/dbraw/zinc/75/38/02/347753802.db2.gz HVJHXWGGUYODCL-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CC[N@H+](CCSC)Cc1nncn1C ZINC000592203342 347755972 /nfs/dbraw/zinc/75/59/72/347755972.db2.gz LYRUZCNTGDPPHR-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO CC[N@@H+](CCSC)Cc1nncn1C ZINC000592203342 347755974 /nfs/dbraw/zinc/75/59/74/347755974.db2.gz LYRUZCNTGDPPHR-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@H]1CCCOC1 ZINC000592525444 347794858 /nfs/dbraw/zinc/79/48/58/347794858.db2.gz LVMGXRTZDYIRSN-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]C1CSC1 ZINC000308532618 347820173 /nfs/dbraw/zinc/82/01/73/347820173.db2.gz RZSSFSKAVIWMLX-VIFPVBQESA-N 1 2 217.334 1.279 20 0 BDADLO CC[C@H]([NH2+][C@H](C)COCC1CC1)C(=O)OC ZINC000593182809 347868937 /nfs/dbraw/zinc/86/89/37/347868937.db2.gz FWQLHVCPRILJDV-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H](C)c2ccccn2)c[nH+]1 ZINC000617079444 347877317 /nfs/dbraw/zinc/87/73/17/347877317.db2.gz QSYREASHOINQIZ-VIFPVBQESA-N 1 2 244.298 1.647 20 0 BDADLO FC(F)O[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000679680610 488364343 /nfs/dbraw/zinc/36/43/43/488364343.db2.gz KBYQKLUFHXFRIX-SECBINFHSA-N 1 2 232.230 1.878 20 0 BDADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000679680610 488364344 /nfs/dbraw/zinc/36/43/44/488364344.db2.gz KBYQKLUFHXFRIX-SECBINFHSA-N 1 2 232.230 1.878 20 0 BDADLO Cn1cc(CSCc2[nH+]ccn2C)cn1 ZINC000593440329 347891626 /nfs/dbraw/zinc/89/16/26/347891626.db2.gz NEIKMEXVJRKLQK-UHFFFAOYSA-N 1 2 222.317 1.587 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000594045597 347988328 /nfs/dbraw/zinc/98/83/28/347988328.db2.gz ZWJNZWKEEGVGMU-QWRGUYRKSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027496 347991976 /nfs/dbraw/zinc/99/19/76/347991976.db2.gz VPENOVXTFPWMCF-GFCCVEGCSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027496 347991978 /nfs/dbraw/zinc/99/19/78/347991978.db2.gz VPENOVXTFPWMCF-GFCCVEGCSA-N 1 2 241.331 1.583 20 0 BDADLO Cc1nc(N2CCCC23CCOCC3)cc[nH+]1 ZINC000362398394 187383587 /nfs/dbraw/zinc/38/35/87/187383587.db2.gz XDNVYAIXTLRLHQ-UHFFFAOYSA-N 1 2 233.315 1.934 20 0 BDADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1nnnn1C ZINC000356028301 179333642 /nfs/dbraw/zinc/33/36/42/179333642.db2.gz HVUCAOOEKOLCSG-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1nnnn1C ZINC000356028301 179333646 /nfs/dbraw/zinc/33/36/46/179333646.db2.gz HVUCAOOEKOLCSG-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO C[C@@H](C[NH2+]Cc1ccn[nH]1)C(=O)OC(C)(C)C ZINC000594517799 348068848 /nfs/dbraw/zinc/06/88/48/348068848.db2.gz DBZAXOHJUYEXCC-VIFPVBQESA-N 1 2 239.319 1.477 20 0 BDADLO COc1c(C)[nH+]cnc1NCCSC(C)C ZINC000594581697 348076429 /nfs/dbraw/zinc/07/64/29/348076429.db2.gz WEGNOGYCLJDDKP-UHFFFAOYSA-N 1 2 241.360 1.769 20 0 BDADLO CCC[C@H]([NH2+][C@H]1C[C@H](OCC)C1)C(=O)OCC ZINC000594722696 348107451 /nfs/dbraw/zinc/10/74/51/348107451.db2.gz TZQWGTRSQPYEAI-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@H](CC)C(=O)OC)C1 ZINC000594722445 348107550 /nfs/dbraw/zinc/10/75/50/348107550.db2.gz QBUMVKOWWHQYEF-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC(C)(C)F)C1CC1 ZINC000594733108 348109145 /nfs/dbraw/zinc/10/91/45/348109145.db2.gz XRQYGPLYAIUSGP-SECBINFHSA-N 1 2 217.284 1.666 20 0 BDADLO Cc1cccn2cc(CN3CCOCC3)[nH+]c12 ZINC000035451404 179356937 /nfs/dbraw/zinc/35/69/37/179356937.db2.gz TVTRXNSGKMEYSB-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO COC(=O)Cc1cccc(NC[C@H]2C[C@@H]2C)[nH+]1 ZINC000617100606 348084945 /nfs/dbraw/zinc/08/49/45/348084945.db2.gz JXYZLOYGGJTPLJ-VHSXEESVSA-N 1 2 234.299 1.865 20 0 BDADLO Cc1cc(CNc2[nH+]cnc3c2cnn3C)[nH]n1 ZINC000603494981 349982154 /nfs/dbraw/zinc/98/21/54/349982154.db2.gz YSWAPBGJPGBPCL-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BDADLO Cc1cc(CNc2[nH+]cnc3c2cnn3C)n[nH]1 ZINC000603494981 349982155 /nfs/dbraw/zinc/98/21/55/349982155.db2.gz YSWAPBGJPGBPCL-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H](CC(C)C)OC)C1CC1 ZINC000419237248 192113195 /nfs/dbraw/zinc/11/31/95/192113195.db2.gz ONXXNGCXNLVDHR-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)C[N@H+](C[C@@H](CC(C)C)OC)C1CC1 ZINC000419237248 192113196 /nfs/dbraw/zinc/11/31/96/192113196.db2.gz ONXXNGCXNLVDHR-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO COC[C@](C)([NH2+]CCC=C(C)C)C(=O)OC ZINC000595406388 348240178 /nfs/dbraw/zinc/24/01/78/348240178.db2.gz ISKPUVDVZSINDR-LBPRGKRZSA-N 1 2 229.320 1.510 20 0 BDADLO Cc1nc(N[C@H]2C[C@@]2(C)C(C)C)nc(N)[nH+]1 ZINC000397165490 362861870 /nfs/dbraw/zinc/86/18/70/362861870.db2.gz ZWXKJJBHUSBVBZ-KWQFWETISA-N 1 2 221.308 1.439 20 0 BDADLO Cc1nc(N)nc(N[C@H]2C[C@@]2(C)C(C)C)[nH+]1 ZINC000397165490 362861872 /nfs/dbraw/zinc/86/18/72/362861872.db2.gz ZWXKJJBHUSBVBZ-KWQFWETISA-N 1 2 221.308 1.439 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H](OC)C1CCC1)C(=O)OC ZINC000595408049 348240845 /nfs/dbraw/zinc/24/08/45/348240845.db2.gz QBQFJRIIFCVOFV-WCQYABFASA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC=CCC1 ZINC000595425554 348246823 /nfs/dbraw/zinc/24/68/23/348246823.db2.gz GFMOECFUZQQAOY-UHFFFAOYSA-N 1 2 249.314 1.657 20 0 BDADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CC=CCC1 ZINC000595425554 348246825 /nfs/dbraw/zinc/24/68/25/348246825.db2.gz GFMOECFUZQQAOY-UHFFFAOYSA-N 1 2 249.314 1.657 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1nncn1C(C)C)OC ZINC000419297612 192119530 /nfs/dbraw/zinc/11/95/30/192119530.db2.gz ZKGYFFMCYGRAAU-NSHDSACASA-N 1 2 240.351 1.716 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1nncn1C(C)C)OC ZINC000419297612 192119532 /nfs/dbraw/zinc/11/95/32/192119532.db2.gz ZKGYFFMCYGRAAU-NSHDSACASA-N 1 2 240.351 1.716 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](C)CC(C)C ZINC000595532639 348274353 /nfs/dbraw/zinc/27/43/53/348274353.db2.gz UONMEDPVKMSAEC-JQWIXIFHSA-N 1 2 231.336 1.182 20 0 BDADLO COC(=O)C1(N(Cc2c[nH+]c[nH]2)C2CC2)CCC1 ZINC000595541578 348277010 /nfs/dbraw/zinc/27/70/10/348277010.db2.gz GZNXKGKVSXEVOJ-UHFFFAOYSA-N 1 2 249.314 1.470 20 0 BDADLO COC(=O)C1(N(Cc2c[nH]c[nH+]2)C2CC2)CCC1 ZINC000595541578 348277012 /nfs/dbraw/zinc/27/70/12/348277012.db2.gz GZNXKGKVSXEVOJ-UHFFFAOYSA-N 1 2 249.314 1.470 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cccnc1 ZINC000595675637 348310127 /nfs/dbraw/zinc/31/01/27/348310127.db2.gz UTLZSWVJYCYCKO-UHFFFAOYSA-N 1 2 232.283 1.219 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cccnc1 ZINC000595675637 348310129 /nfs/dbraw/zinc/31/01/29/348310129.db2.gz UTLZSWVJYCYCKO-UHFFFAOYSA-N 1 2 232.283 1.219 20 0 BDADLO CC(C)C[NH2+][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595730338 348329187 /nfs/dbraw/zinc/32/91/87/348329187.db2.gz HIVGVXAQUZAJJD-CYBMUJFWSA-N 1 2 243.347 1.733 20 0 BDADLO CCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595768812 348336010 /nfs/dbraw/zinc/33/60/10/348336010.db2.gz GOZHLTBQUJRIRD-JTQLQIEISA-N 1 2 205.273 1.667 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCCSC ZINC000595771562 348336367 /nfs/dbraw/zinc/33/63/67/348336367.db2.gz YRVWGSDJOWDDJI-JTQLQIEISA-N 1 2 237.340 1.620 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](O)C(C)(C)C ZINC000595773243 348337235 /nfs/dbraw/zinc/33/72/35/348337235.db2.gz DJWBPVOSXCKNDP-BXKDBHETSA-N 1 2 249.326 1.274 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCCCF ZINC000595777322 348338674 /nfs/dbraw/zinc/33/86/74/348338674.db2.gz YVOKVWCWUTVRSH-JTQLQIEISA-N 1 2 223.263 1.617 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595779249 348339231 /nfs/dbraw/zinc/33/92/31/348339231.db2.gz BJWPSOJOKCBTBA-GARJFASQSA-N 1 2 241.331 1.221 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351839192 187395119 /nfs/dbraw/zinc/39/51/19/187395119.db2.gz ZWLBAOLSQDKBNV-UWVGGRQHSA-N 1 2 239.319 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351839192 187395121 /nfs/dbraw/zinc/39/51/21/187395121.db2.gz ZWLBAOLSQDKBNV-UWVGGRQHSA-N 1 2 239.319 1.081 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000595863611 348383626 /nfs/dbraw/zinc/38/36/26/348383626.db2.gz MYDVHBOLSCUKRJ-UHFFFAOYSA-N 1 2 249.314 1.176 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000595863611 348383628 /nfs/dbraw/zinc/38/36/28/348383628.db2.gz MYDVHBOLSCUKRJ-UHFFFAOYSA-N 1 2 249.314 1.176 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)no1 ZINC000027880992 348361798 /nfs/dbraw/zinc/36/17/98/348361798.db2.gz VKURFLFLPOAIEQ-LBPRGKRZSA-N 1 2 249.314 1.399 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CC2)no1 ZINC000027880992 348361803 /nfs/dbraw/zinc/36/18/03/348361803.db2.gz VKURFLFLPOAIEQ-LBPRGKRZSA-N 1 2 249.314 1.399 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CC1=CCSC1 ZINC000595887498 348389469 /nfs/dbraw/zinc/38/94/69/348389469.db2.gz CWSIBRBJFJDQOP-MRVPVSSYSA-N 1 2 215.318 1.153 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CC1=CCSC1 ZINC000595887498 348389470 /nfs/dbraw/zinc/38/94/70/348389470.db2.gz CWSIBRBJFJDQOP-MRVPVSSYSA-N 1 2 215.318 1.153 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)CC1=CCSC1 ZINC000595887577 348389502 /nfs/dbraw/zinc/38/95/02/348389502.db2.gz GNJCVIQAUROHAV-UHFFFAOYSA-N 1 2 243.372 1.933 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)CC1=CCSC1 ZINC000595887577 348389506 /nfs/dbraw/zinc/38/95/06/348389506.db2.gz GNJCVIQAUROHAV-UHFFFAOYSA-N 1 2 243.372 1.933 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCC2CC2)c1 ZINC000596071074 348438381 /nfs/dbraw/zinc/43/83/81/348438381.db2.gz VSUUJYCFEUYROK-UHFFFAOYSA-N 1 2 220.272 1.619 20 0 BDADLO CO[C@H]1CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000076343614 323188970 /nfs/dbraw/zinc/18/89/70/323188970.db2.gz BNUYECWZMAHBMU-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CO[C@H]1CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000076343614 323188971 /nfs/dbraw/zinc/18/89/71/323188971.db2.gz BNUYECWZMAHBMU-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC[C@H](F)C2)c1 ZINC000596252671 348474848 /nfs/dbraw/zinc/47/48/48/348474848.db2.gz IIVIYERLYYDYTB-JTQLQIEISA-N 1 2 238.262 1.345 20 0 BDADLO Cc1ccsc1C[NH2+]Cc1ncn(C)n1 ZINC000092852258 179548382 /nfs/dbraw/zinc/54/83/82/179548382.db2.gz VQYLTYAGYBCOMD-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@@H]1C(C)C)CC2 ZINC000363704596 179563506 /nfs/dbraw/zinc/56/35/06/179563506.db2.gz VIZBXXKZDICEBD-NEPJUHHUSA-N 1 2 247.342 1.826 20 0 BDADLO COC(=O)C[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC000596494069 348561745 /nfs/dbraw/zinc/56/17/45/348561745.db2.gz WXUWBYXWJSBGLK-NSHDSACASA-N 1 2 249.314 1.208 20 0 BDADLO CSC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC000597186049 348683743 /nfs/dbraw/zinc/68/37/43/348683743.db2.gz AVWRJZDJMYXQMH-MRVPVSSYSA-N 1 2 237.315 1.584 20 0 BDADLO CSC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC000597186049 348683745 /nfs/dbraw/zinc/68/37/45/348683745.db2.gz AVWRJZDJMYXQMH-MRVPVSSYSA-N 1 2 237.315 1.584 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1cscn1 ZINC000129960707 490191583 /nfs/dbraw/zinc/19/15/83/490191583.db2.gz LNCMXNHBBNRIBS-SFYZADRCSA-N 1 2 225.317 1.024 20 0 BDADLO CSC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000597855417 348826948 /nfs/dbraw/zinc/82/69/48/348826948.db2.gz BOUVVXORTMJJKG-UHFFFAOYSA-N 1 2 239.344 1.654 20 0 BDADLO CSC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000597855417 348826950 /nfs/dbraw/zinc/82/69/50/348826950.db2.gz BOUVVXORTMJJKG-UHFFFAOYSA-N 1 2 239.344 1.654 20 0 BDADLO CN(C)c1ccc(CNC(=O)[C@@H]2CC23CC3)c[nH+]1 ZINC000421745317 192378619 /nfs/dbraw/zinc/37/86/19/192378619.db2.gz UZZVPIVGEIXGAX-NSHDSACASA-N 1 2 245.326 1.564 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)n1cncn1 ZINC000170955900 179708952 /nfs/dbraw/zinc/70/89/52/179708952.db2.gz DKBXZUISUFWGGX-SECBINFHSA-N 1 2 231.259 1.181 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421750384 192379152 /nfs/dbraw/zinc/37/91/52/192379152.db2.gz JSYOVTBVGSTBFG-FDYHWXHSSA-N 1 2 247.342 1.824 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccnc(C)c1 ZINC000598625116 349003833 /nfs/dbraw/zinc/00/38/33/349003833.db2.gz LEUHFMBBNAKYID-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccnc(C)c1 ZINC000598625116 349003837 /nfs/dbraw/zinc/00/38/37/349003837.db2.gz LEUHFMBBNAKYID-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COCc1cccc(C[NH2+]Cc2ncccn2)c1 ZINC000054459319 349033556 /nfs/dbraw/zinc/03/35/56/349033556.db2.gz YWNAHDLFYQDJBM-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cc1noc(C[NH2+][C@](C)(CO)c2ccccc2)n1 ZINC000599171897 349111112 /nfs/dbraw/zinc/11/11/12/349111112.db2.gz LAUOUYMNJAVIID-CYBMUJFWSA-N 1 2 247.298 1.375 20 0 BDADLO Cc1cc(C[NH2+][C@@](C)(CO)c2ccccc2)no1 ZINC000599442049 349178679 /nfs/dbraw/zinc/17/86/79/349178679.db2.gz PANUOEXVHDXZFO-AWEZNQCLSA-N 1 2 246.310 1.980 20 0 BDADLO Cc1c[nH+]ccc1CCSCC(=O)N(C)C ZINC000421846344 192393006 /nfs/dbraw/zinc/39/30/06/192393006.db2.gz ZPLVJFUUCPNRAV-UHFFFAOYSA-N 1 2 238.356 1.754 20 0 BDADLO CCOC(=O)CC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000599643960 349239474 /nfs/dbraw/zinc/23/94/74/349239474.db2.gz JMROYSSBRGCHHZ-UHFFFAOYSA-N 1 2 249.310 1.964 20 0 BDADLO CCOC(=O)CC[N@H+]1Cc2cccc(OC)c2C1 ZINC000599643960 349239475 /nfs/dbraw/zinc/23/94/75/349239475.db2.gz JMROYSSBRGCHHZ-UHFFFAOYSA-N 1 2 249.310 1.964 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626614 349231480 /nfs/dbraw/zinc/23/14/80/349231480.db2.gz SNPWWPUMVKBESO-OSUNSFLBSA-N 1 2 243.347 1.730 20 0 BDADLO CC(C)([NH2+]Cc1cn[nH]c1)c1nccs1 ZINC000308972090 349260421 /nfs/dbraw/zinc/26/04/21/349260421.db2.gz FNZNWXBJWHSZHY-UHFFFAOYSA-N 1 2 222.317 1.891 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCSC ZINC000309031085 349317196 /nfs/dbraw/zinc/31/71/96/349317196.db2.gz DUHYTEOEXOABLB-JTQLQIEISA-N 1 2 233.377 1.917 20 0 BDADLO Cc1cnc(N[C@H](C)c2[nH]cc[nH+]2)nc1 ZINC000125238611 490254360 /nfs/dbraw/zinc/25/43/60/490254360.db2.gz IYYMBRYQQDQWIP-MRVPVSSYSA-N 1 2 203.249 1.681 20 0 BDADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)on1 ZINC000603785929 350025400 /nfs/dbraw/zinc/02/54/00/350025400.db2.gz NWEXAFCBTCJIAI-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1(C)CCC1)CC2 ZINC000626263972 350051109 /nfs/dbraw/zinc/05/11/09/350051109.db2.gz WDBJGADYSBFVFE-NSHDSACASA-N 1 2 247.342 1.813 20 0 BDADLO CC(F)(F)CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603917341 350053020 /nfs/dbraw/zinc/05/30/20/350053020.db2.gz ORGCDVXDMXCELV-UHFFFAOYSA-N 1 2 243.257 1.702 20 0 BDADLO CCc1cc(N[C@@H](C)[C@H](CO)SC)nc[nH+]1 ZINC000218891768 350106988 /nfs/dbraw/zinc/10/69/88/350106988.db2.gz CUUOZHZEADLMJS-WPRPVWTQSA-N 1 2 241.360 1.563 20 0 BDADLO Cc1nc(N(C)C)nc(NCCCCF)[nH+]1 ZINC000309480186 180018283 /nfs/dbraw/zinc/01/82/83/180018283.db2.gz SVPMCIOKXJHULS-UHFFFAOYSA-N 1 2 227.287 1.408 20 0 BDADLO Cc1nc(NCCCCF)nc(N(C)C)[nH+]1 ZINC000309480186 180018287 /nfs/dbraw/zinc/01/82/87/180018287.db2.gz SVPMCIOKXJHULS-UHFFFAOYSA-N 1 2 227.287 1.408 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000367720799 180035984 /nfs/dbraw/zinc/03/59/84/180035984.db2.gz MVBGERJJSWYEFY-DVVUODLYSA-N 1 2 237.303 1.550 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000367720799 180035987 /nfs/dbraw/zinc/03/59/87/180035987.db2.gz MVBGERJJSWYEFY-DVVUODLYSA-N 1 2 237.303 1.550 20 0 BDADLO CCOC1CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628306049 350115255 /nfs/dbraw/zinc/11/52/55/350115255.db2.gz KOYQJHAEQYDTBZ-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@@H]3C[C@@H]3C)CCO2)no1 ZINC000330184257 180045776 /nfs/dbraw/zinc/04/57/76/180045776.db2.gz IJTKPJPOETXRCP-LSJOCFKGSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)CCO2)no1 ZINC000330184257 180045778 /nfs/dbraw/zinc/04/57/78/180045778.db2.gz IJTKPJPOETXRCP-LSJOCFKGSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](Cc3cc[nH]c3)CCO2)no1 ZINC000370660873 180045932 /nfs/dbraw/zinc/04/59/32/180045932.db2.gz YSDDSDDJNUCNMT-NSHDSACASA-N 1 2 248.286 1.280 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](Cc3cc[nH]c3)CCO2)no1 ZINC000370660873 180045933 /nfs/dbraw/zinc/04/59/33/180045933.db2.gz YSDDSDDJNUCNMT-NSHDSACASA-N 1 2 248.286 1.280 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2C[C@@H]2C)[nH+]1 ZINC000336780362 180058854 /nfs/dbraw/zinc/05/88/54/180058854.db2.gz RBSPXAHWUNXCOF-IONNQARKSA-N 1 2 216.288 1.756 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000340792816 180059092 /nfs/dbraw/zinc/05/90/92/180059092.db2.gz ZBUFDYDBWJTEGT-YUMQZZPRSA-N 1 2 234.303 1.260 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)C[C@@H](C)O)[nH+]1 ZINC000340792803 180060267 /nfs/dbraw/zinc/06/02/67/180060267.db2.gz ZBUFDYDBWJTEGT-HTQZYQBOSA-N 1 2 234.303 1.260 20 0 BDADLO Cc1nc(N[C@@H]2CCOC2)c2c([nH+]1)CCCC2 ZINC000302109649 180070480 /nfs/dbraw/zinc/07/04/80/180070480.db2.gz TWGFOEQYCGLVNP-SNVBAGLBSA-N 1 2 233.315 1.865 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNc1cnn(C)c1 ZINC000037259800 180106652 /nfs/dbraw/zinc/10/66/52/180106652.db2.gz WSDADKCQVHJMSK-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000376612643 180109617 /nfs/dbraw/zinc/10/96/17/180109617.db2.gz WMFFWEFBKINRDY-CHWSQXEVSA-N 1 2 249.358 1.619 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000376612643 180109620 /nfs/dbraw/zinc/10/96/20/180109620.db2.gz WMFFWEFBKINRDY-CHWSQXEVSA-N 1 2 249.358 1.619 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@@H]1CCCC[C@H]1O)C2 ZINC000376612643 180109622 /nfs/dbraw/zinc/10/96/22/180109622.db2.gz WMFFWEFBKINRDY-CHWSQXEVSA-N 1 2 249.358 1.619 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C[C@H](O)C(C)C)C2 ZINC000374093038 180109771 /nfs/dbraw/zinc/10/97/71/180109771.db2.gz HNXMAGLAGJADMP-LBPRGKRZSA-N 1 2 237.347 1.332 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+](C[C@H](O)C(C)C)C2 ZINC000374093038 180109774 /nfs/dbraw/zinc/10/97/74/180109774.db2.gz HNXMAGLAGJADMP-LBPRGKRZSA-N 1 2 237.347 1.332 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+](C[C@H](O)C(C)C)C2 ZINC000374093038 180109775 /nfs/dbraw/zinc/10/97/75/180109775.db2.gz HNXMAGLAGJADMP-LBPRGKRZSA-N 1 2 237.347 1.332 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)[nH]n1 ZINC000309197993 350167983 /nfs/dbraw/zinc/16/79/83/350167983.db2.gz QVHCGIXTALBCJB-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000304534575 350161890 /nfs/dbraw/zinc/16/18/90/350161890.db2.gz CGGKLGPRKIAOJL-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccco2)c[nH+]1 ZINC000339224713 180130038 /nfs/dbraw/zinc/13/00/38/180130038.db2.gz DAMYXBVVRMDUON-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccnn2C)s1 ZINC000179383307 180141016 /nfs/dbraw/zinc/14/10/16/180141016.db2.gz AFJHDWVRNOMGIS-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccnn2C)s1 ZINC000179383307 180141018 /nfs/dbraw/zinc/14/10/18/180141018.db2.gz AFJHDWVRNOMGIS-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@](F)(CO)C2)s1 ZINC000286895974 180142214 /nfs/dbraw/zinc/14/22/14/180142214.db2.gz LKDMPOMLVGQTHO-LLVKDONJSA-N 1 2 244.335 1.748 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@](F)(CO)C2)s1 ZINC000286895974 180142217 /nfs/dbraw/zinc/14/22/17/180142217.db2.gz LKDMPOMLVGQTHO-LLVKDONJSA-N 1 2 244.335 1.748 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000336562294 180120684 /nfs/dbraw/zinc/12/06/84/180120684.db2.gz OUOFTVAMPWNMTF-XRGYYRRGSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccncc1 ZINC000334508718 180122204 /nfs/dbraw/zinc/12/22/04/180122204.db2.gz WVPXXMOYOSOXPZ-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C(N)=O)s1 ZINC000299135004 180143007 /nfs/dbraw/zinc/14/30/07/180143007.db2.gz OHIBWNQJLSQDOC-SNVBAGLBSA-N 1 2 239.344 1.291 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC[C@@H]2C(N)=O)s1 ZINC000299135004 180143010 /nfs/dbraw/zinc/14/30/10/180143010.db2.gz OHIBWNQJLSQDOC-SNVBAGLBSA-N 1 2 239.344 1.291 20 0 BDADLO Cc1ncc(NC(=O)CCn2cc[nH+]c2)s1 ZINC000337293863 180165873 /nfs/dbraw/zinc/16/58/73/180165873.db2.gz OIKOKSXTFHXFRB-UHFFFAOYSA-N 1 2 236.300 1.677 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cn1 ZINC000352404852 180145973 /nfs/dbraw/zinc/14/59/73/180145973.db2.gz DWONEULKZJIDMN-YGRLFVJLSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cn1 ZINC000352404852 180145974 /nfs/dbraw/zinc/14/59/74/180145974.db2.gz DWONEULKZJIDMN-YGRLFVJLSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cn1 ZINC000352411914 180146952 /nfs/dbraw/zinc/14/69/52/180146952.db2.gz AELJKZLEJMLESE-HBNTYKKESA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cn1 ZINC000352411914 180146954 /nfs/dbraw/zinc/14/69/54/180146954.db2.gz AELJKZLEJMLESE-HBNTYKKESA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nc(N2C[C@]3(CCCO3)[C@H]2C2CC2)cc[nH+]1 ZINC000293974364 180194024 /nfs/dbraw/zinc/19/40/24/180194024.db2.gz HYUJRWMFFTXKNV-ZIAGYGMSSA-N 1 2 245.326 1.933 20 0 BDADLO Cc1nc(NCCNC(=O)C(C)(C)C)cc[nH+]1 ZINC000266425541 180199588 /nfs/dbraw/zinc/19/95/88/180199588.db2.gz SPFPOOAOUUIQFI-UHFFFAOYSA-N 1 2 236.319 1.359 20 0 BDADLO Cc1nc(NC[C@@]2(O)CCSC2)cc[nH+]1 ZINC000176741164 180200373 /nfs/dbraw/zinc/20/03/73/180200373.db2.gz WZUUFJNTHOOYGU-JTQLQIEISA-N 1 2 225.317 1.065 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@@H](O)C2)cc[nH+]1 ZINC000235972428 180200674 /nfs/dbraw/zinc/20/06/74/180200674.db2.gz LVMHQRYAULBBAJ-NXEZZACHSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(N[C@@H](CCO)c2ccco2)cc[nH+]1 ZINC000184345129 180202099 /nfs/dbraw/zinc/20/20/99/180202099.db2.gz HUNUMOOJYVJTHM-JTQLQIEISA-N 1 2 233.271 1.914 20 0 BDADLO Cc1nc(N[C@@H](C)CO[C@@H]2CCOC2)cc[nH+]1 ZINC000133750683 180202675 /nfs/dbraw/zinc/20/26/75/180202675.db2.gz WOYVVNFSQWXATL-GXSJLCMTSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1nc(NCc2nnc(C3CC3)o2)cc[nH+]1 ZINC000275983252 180203747 /nfs/dbraw/zinc/20/37/47/180203747.db2.gz FLNYLQXJYODSFU-UHFFFAOYSA-N 1 2 231.259 1.658 20 0 BDADLO Cc1nc(N[C@H](C)c2nncn2C)cc[nH+]1 ZINC000054936474 180204667 /nfs/dbraw/zinc/20/46/67/180204667.db2.gz DYNHTMUBUOXWAN-SSDOTTSWSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@@]3(CCOC3)C2)cc[nH+]1 ZINC000374510592 180206872 /nfs/dbraw/zinc/20/68/72/180206872.db2.gz VOHJWHBNEQXVRR-AAEUAGOBSA-N 1 2 249.314 1.535 20 0 BDADLO Cc1nc(N[C@H](C)c2cc[nH]c(=O)c2)cc[nH+]1 ZINC000338732376 180181706 /nfs/dbraw/zinc/18/17/06/180181706.db2.gz FTBZKZZYGIHTSH-MRVPVSSYSA-N 1 2 230.271 1.481 20 0 BDADLO Cc1nc(NCCOc2ccccc2F)cc[nH+]1 ZINC000361149920 180181723 /nfs/dbraw/zinc/18/17/23/180181723.db2.gz NISNIKNANOIQAO-UHFFFAOYSA-N 1 2 247.273 1.837 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H](C)C2)n1 ZINC000339588639 180183560 /nfs/dbraw/zinc/18/35/60/180183560.db2.gz HKJNBLWSMDJMSY-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H](C)C2)n1 ZINC000339588639 180183563 /nfs/dbraw/zinc/18/35/63/180183563.db2.gz HKJNBLWSMDJMSY-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000376019822 180184130 /nfs/dbraw/zinc/18/41/30/180184130.db2.gz CFMDINGMGPAXHP-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC3(CCCC3)C2)n1 ZINC000369159526 180184496 /nfs/dbraw/zinc/18/44/96/180184496.db2.gz YYSGGWLYZDSBQU-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC3(CCCC3)C2)n1 ZINC000369159526 180184501 /nfs/dbraw/zinc/18/45/01/180184501.db2.gz YYSGGWLYZDSBQU-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)n1 ZINC000373612441 180185955 /nfs/dbraw/zinc/18/59/55/180185955.db2.gz RMMBVFOYNQKERN-YGRLFVJLSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)n1 ZINC000373612441 180185958 /nfs/dbraw/zinc/18/59/58/180185958.db2.gz RMMBVFOYNQKERN-YGRLFVJLSA-N 1 2 247.342 1.784 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CC[C@@H](C)O1 ZINC000355295920 350234707 /nfs/dbraw/zinc/23/47/07/350234707.db2.gz SLDISSFIBHRKGW-PWSUYJOCSA-N 1 2 238.335 1.205 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H]1CC[C@@H](C)O1 ZINC000355295920 350234708 /nfs/dbraw/zinc/23/47/08/350234708.db2.gz SLDISSFIBHRKGW-PWSUYJOCSA-N 1 2 238.335 1.205 20 0 BDADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc2n1CCCC2 ZINC000363505271 191082112 /nfs/dbraw/zinc/08/21/12/191082112.db2.gz VLAAPRLXQUBSIS-NWDGAFQWSA-N 1 2 244.342 1.907 20 0 BDADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc2n1CCCC2 ZINC000363505271 191082115 /nfs/dbraw/zinc/08/21/15/191082115.db2.gz VLAAPRLXQUBSIS-NWDGAFQWSA-N 1 2 244.342 1.907 20 0 BDADLO CC[C@@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000309275003 350252515 /nfs/dbraw/zinc/25/25/15/350252515.db2.gz LYSGXHRTAPHUFQ-SSDOTTSWSA-N 1 2 222.292 1.030 20 0 BDADLO CCc1nnc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000365389502 350263148 /nfs/dbraw/zinc/26/31/48/350263148.db2.gz HNWVBKZJAQHKDF-SECBINFHSA-N 1 2 246.318 1.427 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CSC(C)C ZINC000380217678 350312427 /nfs/dbraw/zinc/31/24/27/350312427.db2.gz TXWKNCQQHFFGDL-UHFFFAOYSA-N 1 2 227.333 1.476 20 0 BDADLO CC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000224575119 350327736 /nfs/dbraw/zinc/32/77/36/350327736.db2.gz OTZXOODZWUNODT-UHFFFAOYSA-N 1 2 204.229 1.807 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cnnn1C ZINC000271139867 180313807 /nfs/dbraw/zinc/31/38/07/180313807.db2.gz CLMSILZMPPECAA-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cnnn1C ZINC000271139867 180313810 /nfs/dbraw/zinc/31/38/10/180313810.db2.gz CLMSILZMPPECAA-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1ncoc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329219918 180298067 /nfs/dbraw/zinc/29/80/67/180298067.db2.gz BCFKOMRQAXVCOD-SECBINFHSA-N 1 2 246.270 1.683 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]23C[C@H]2CCC3)c[nH+]1 ZINC000617207052 350354312 /nfs/dbraw/zinc/35/43/12/350354312.db2.gz OXYMGGKVPGSLSY-LDYMZIIASA-N 1 2 205.261 1.391 20 0 BDADLO C[C@H](NC(=O)N(C1CC1)C1CC1)c1[nH+]ccn1C ZINC000637291125 350407045 /nfs/dbraw/zinc/40/70/45/350407045.db2.gz VBGUKVZTSNENID-VIFPVBQESA-N 1 2 248.330 1.818 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000617215324 350385396 /nfs/dbraw/zinc/38/53/96/350385396.db2.gz BXXXEOKOQFKEDU-BFVZDQMLSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000617215324 350385397 /nfs/dbraw/zinc/38/53/97/350385397.db2.gz BXXXEOKOQFKEDU-BFVZDQMLSA-N 1 2 245.326 1.573 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427988046 191104169 /nfs/dbraw/zinc/10/41/69/191104169.db2.gz BVZQSAYZLRNJNB-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427988059 191104196 /nfs/dbraw/zinc/10/41/96/191104196.db2.gz BWTZEDIUNUCDQH-WOPDTQHZSA-N 1 2 247.342 1.606 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCC1CC=CC1 ZINC000637366895 350489641 /nfs/dbraw/zinc/48/96/41/350489641.db2.gz PTWAHKHYYUALJS-UHFFFAOYSA-N 1 2 248.330 1.528 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000428002387 191105135 /nfs/dbraw/zinc/10/51/35/191105135.db2.gz WZASRLMLAIGFSQ-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO CCC[C@H](O)CNc1nc(C)[nH+]cc1C ZINC000564010090 323351918 /nfs/dbraw/zinc/35/19/18/323351918.db2.gz NTAYREHCAGZKGX-JTQLQIEISA-N 1 2 209.293 1.088 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427999503 191105451 /nfs/dbraw/zinc/10/54/51/191105451.db2.gz ZQCZHPVOOPUYIG-JTNHKYCSSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cn(C)nc2C)n1C ZINC000341005430 180382789 /nfs/dbraw/zinc/38/27/89/180382789.db2.gz FIJBNTMVFHFOBY-JTQLQIEISA-N 1 2 247.346 1.621 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)c2cn(C)nc2C)n1C ZINC000341005430 180382790 /nfs/dbraw/zinc/38/27/90/180382790.db2.gz FIJBNTMVFHFOBY-JTQLQIEISA-N 1 2 247.346 1.621 20 0 BDADLO Cc1nc(N(C)CC2(O)CCCC2)cc[nH+]1 ZINC000133122032 191105664 /nfs/dbraw/zinc/10/56/64/191105664.db2.gz NVPIWFIHSLEEIJ-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)c1cccnc1 ZINC000336783939 350512443 /nfs/dbraw/zinc/51/24/43/350512443.db2.gz LLRHLUIMVKAVKI-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)c1cccnc1 ZINC000336783939 350512448 /nfs/dbraw/zinc/51/24/48/350512448.db2.gz LLRHLUIMVKAVKI-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000336745139 350494696 /nfs/dbraw/zinc/49/46/96/350494696.db2.gz AFPVJVPRIMWLEJ-SECBINFHSA-N 1 2 209.293 1.205 20 0 BDADLO CCc1cc(NCC[C@@H](O)CC)nc[nH+]1 ZINC000131610031 490647752 /nfs/dbraw/zinc/64/77/52/490647752.db2.gz GVEPZKBTOFUSFM-JTQLQIEISA-N 1 2 209.293 1.612 20 0 BDADLO CCCC[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000337512229 350591322 /nfs/dbraw/zinc/59/13/22/350591322.db2.gz VYNFSPDEEXMJCM-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO OCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606901307 350626689 /nfs/dbraw/zinc/62/66/89/350626689.db2.gz PZIQDRUKRUCJLS-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO OCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606901307 350626691 /nfs/dbraw/zinc/62/66/91/350626691.db2.gz PZIQDRUKRUCJLS-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO CCCCOCCNc1nc[nH+]c(N)c1Cl ZINC000232988280 350670930 /nfs/dbraw/zinc/67/09/30/350670930.db2.gz NWUMZMAHHAPCFS-UHFFFAOYSA-N 1 2 244.726 1.941 20 0 BDADLO CCCCOCCNc1[nH+]cnc(N)c1Cl ZINC000232988280 350670932 /nfs/dbraw/zinc/67/09/32/350670932.db2.gz NWUMZMAHHAPCFS-UHFFFAOYSA-N 1 2 244.726 1.941 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC[C@@H](C)O2)c[nH+]1 ZINC000618579803 350702039 /nfs/dbraw/zinc/70/20/39/350702039.db2.gz ZWJYZIIQRZTWES-PSASIEDQSA-N 1 2 237.303 1.406 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587854 350697856 /nfs/dbraw/zinc/69/78/56/350697856.db2.gz PVKPSSTZOPDQAS-PWSUYJOCSA-N 1 2 247.310 1.125 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587854 350697859 /nfs/dbraw/zinc/69/78/59/350697859.db2.gz PVKPSSTZOPDQAS-PWSUYJOCSA-N 1 2 247.310 1.125 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C2(C3CC3)CC2)no1 ZINC000380145141 365997282 /nfs/dbraw/zinc/99/72/82/365997282.db2.gz WOSKYJWBJZBHSW-ZETCQYMHSA-N 1 2 207.277 1.971 20 0 BDADLO CC(C)[C@@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000302887929 191121042 /nfs/dbraw/zinc/12/10/42/191121042.db2.gz MHKIZJPUVSLXJV-JTQLQIEISA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)[C@@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000302887929 191121046 /nfs/dbraw/zinc/12/10/46/191121046.db2.gz MHKIZJPUVSLXJV-JTQLQIEISA-N 1 2 244.726 1.531 20 0 BDADLO C[N@H+](CCCO)Cc1cnn(-c2ccccc2)n1 ZINC000051830075 350853106 /nfs/dbraw/zinc/85/31/06/350853106.db2.gz YELQOPUDSZPKDD-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO C[N@@H+](CCCO)Cc1cnn(-c2ccccc2)n1 ZINC000051830075 350853109 /nfs/dbraw/zinc/85/31/09/350853109.db2.gz YELQOPUDSZPKDD-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO COc1ccc(C)cc1C[NH2+]Cc1cn(C)nn1 ZINC000389824793 350854205 /nfs/dbraw/zinc/85/42/05/350854205.db2.gz OXEPQTAWULNSJK-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)on1 ZINC000052008514 350885739 /nfs/dbraw/zinc/88/57/39/350885739.db2.gz WVFUUVJAIIPAOG-NSHDSACASA-N 1 2 249.314 1.399 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CC2)on1 ZINC000052008514 350885743 /nfs/dbraw/zinc/88/57/43/350885743.db2.gz WVFUUVJAIIPAOG-NSHDSACASA-N 1 2 249.314 1.399 20 0 BDADLO CC(C)(NC(=O)c1cncc(O)c1)c1[nH]cc[nH+]1 ZINC000571291713 350886644 /nfs/dbraw/zinc/88/66/44/350886644.db2.gz RHXHNLADWFWGPZ-UHFFFAOYSA-N 1 2 246.270 1.175 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2cocn2)cn1 ZINC000397987925 350991098 /nfs/dbraw/zinc/99/10/98/350991098.db2.gz VPXZMAQKYLJZDH-UHFFFAOYSA-N 1 2 234.303 1.916 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1cnn[nH]1 ZINC000398280248 351019007 /nfs/dbraw/zinc/01/90/07/351019007.db2.gz DEMSVJCDTHFQLZ-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccoc1 ZINC000309676585 323445293 /nfs/dbraw/zinc/44/52/93/323445293.db2.gz XZEJZUAOUASBRW-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cnns1 ZINC000188201387 191129228 /nfs/dbraw/zinc/12/92/28/191129228.db2.gz KZPCTCMNKXKHLD-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cnns1 ZINC000188201387 191129232 /nfs/dbraw/zinc/12/92/32/191129232.db2.gz KZPCTCMNKXKHLD-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CC(=O)NC1CC1 ZINC000623121783 351053407 /nfs/dbraw/zinc/05/34/07/351053407.db2.gz LBZRWAFAQKNUBR-UHFFFAOYSA-N 1 2 238.253 1.539 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC1CC1 ZINC000623121783 351053410 /nfs/dbraw/zinc/05/34/10/351053410.db2.gz LBZRWAFAQKNUBR-UHFFFAOYSA-N 1 2 238.253 1.539 20 0 BDADLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CCO1 ZINC000398373953 351123881 /nfs/dbraw/zinc/12/38/81/351123881.db2.gz DSLUOUMGINGJRN-ONGXEEELSA-N 1 2 224.308 1.098 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000571516159 351075807 /nfs/dbraw/zinc/07/58/07/351075807.db2.gz ISOZOSHJGZLKKS-CYBMUJFWSA-N 1 2 237.347 1.749 20 0 BDADLO CCc1cccc(F)c1C[NH2+]Cc1cnn[nH]1 ZINC000623578700 363012199 /nfs/dbraw/zinc/01/21/99/363012199.db2.gz UJUJVRBDTWRKTK-UHFFFAOYSA-N 1 2 234.278 1.796 20 0 BDADLO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398395102 351130466 /nfs/dbraw/zinc/13/04/66/351130466.db2.gz YXQOAWFTVDTOQM-GXSJLCMTSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398395102 351130469 /nfs/dbraw/zinc/13/04/69/351130469.db2.gz YXQOAWFTVDTOQM-GXSJLCMTSA-N 1 2 220.320 1.887 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCO1 ZINC000264992247 351260512 /nfs/dbraw/zinc/26/05/12/351260512.db2.gz KLOWVOPGVYPXTC-NSHDSACASA-N 1 2 220.272 1.762 20 0 BDADLO Cc1[nH]c(CN2CC[C@H](O)C(F)(F)C2)[nH+]c1C ZINC000628337270 351280402 /nfs/dbraw/zinc/28/04/02/351280402.db2.gz APLHDWDJQGCMNL-VIFPVBQESA-N 1 2 245.273 1.228 20 0 BDADLO CCCCc1cc(NC[C@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000631239785 351281686 /nfs/dbraw/zinc/28/16/86/351281686.db2.gz BTBRVRNYCDUXJL-WCQYABFASA-N 1 2 249.358 1.814 20 0 BDADLO CCn1ccc(CN(C)c2nc(C)[nH+]c(N)n2)c1 ZINC000631243022 351317886 /nfs/dbraw/zinc/31/78/86/351317886.db2.gz ZEFQRSHQXONQEM-UHFFFAOYSA-N 1 2 246.318 1.050 20 0 BDADLO CCn1ccc(CN(C)c2nc(N)nc(C)[nH+]2)c1 ZINC000631243022 351317887 /nfs/dbraw/zinc/31/78/87/351317887.db2.gz ZEFQRSHQXONQEM-UHFFFAOYSA-N 1 2 246.318 1.050 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccsc1 ZINC000088094368 351568483 /nfs/dbraw/zinc/56/84/83/351568483.db2.gz XIIYVKWCFKVNIF-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccsc1 ZINC000088094368 351568485 /nfs/dbraw/zinc/56/84/85/351568485.db2.gz XIIYVKWCFKVNIF-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)s1 ZINC000088094497 351597204 /nfs/dbraw/zinc/59/72/04/351597204.db2.gz AZCNTUVQNCSLHN-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)s1 ZINC000088094497 351597207 /nfs/dbraw/zinc/59/72/07/351597207.db2.gz AZCNTUVQNCSLHN-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO CO[C@@H](CNc1c[nH+]cc(N(C)C)c1)C1CC1 ZINC000639364658 538100809 /nfs/dbraw/zinc/10/08/09/538100809.db2.gz ZKJFRKZLWUSPCS-ZDUSSCGKSA-N 1 2 235.331 1.985 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccco1 ZINC000037017320 358466402 /nfs/dbraw/zinc/46/64/02/358466402.db2.gz IRWRBRMYIPZETA-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H](C)C2)c1C ZINC000637884198 351748774 /nfs/dbraw/zinc/74/87/74/351748774.db2.gz VHULLOGTZPUKNE-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H](C)C2)c1C ZINC000637884198 351748776 /nfs/dbraw/zinc/74/87/76/351748776.db2.gz VHULLOGTZPUKNE-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO CC(C)CN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000279108667 351797869 /nfs/dbraw/zinc/79/78/69/351797869.db2.gz BPVXIFPVQBJZNW-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000338112906 187499850 /nfs/dbraw/zinc/49/98/50/187499850.db2.gz OBBHWUVOONOYNT-UHFFFAOYSA-N 1 2 247.342 1.920 20 0 BDADLO CO[C@](C)(C[N@H+](C)CC(F)F)C1CC1 ZINC000637973490 351848442 /nfs/dbraw/zinc/84/84/42/351848442.db2.gz JICYKSKYDFEZFA-SNVBAGLBSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@](C)(C[N@@H+](C)CC(F)F)C1CC1 ZINC000637973490 351848445 /nfs/dbraw/zinc/84/84/45/351848445.db2.gz JICYKSKYDFEZFA-SNVBAGLBSA-N 1 2 207.264 1.998 20 0 BDADLO CCCC[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000282246707 351928219 /nfs/dbraw/zinc/92/82/19/351928219.db2.gz QEIAZHBPDYKJCP-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1[C@H](c1nccn1C)C1CC1 ZINC000638084724 351959393 /nfs/dbraw/zinc/95/93/93/351959393.db2.gz LKQHHGSLXXYGMW-MDZLAQPJSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1[C@H](c1nccn1C)C1CC1 ZINC000638084724 351959396 /nfs/dbraw/zinc/95/93/96/351959396.db2.gz LKQHHGSLXXYGMW-MDZLAQPJSA-N 1 2 249.358 1.980 20 0 BDADLO CN(Cc1ccon1)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638099139 351978886 /nfs/dbraw/zinc/97/88/86/351978886.db2.gz GXQHLPGFXXNWLY-GFCCVEGCSA-N 1 2 246.314 1.991 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638098159 351979802 /nfs/dbraw/zinc/97/98/02/351979802.db2.gz ZVMYHMPEAXRXIN-SECBINFHSA-N 1 2 212.297 1.052 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638098159 351979805 /nfs/dbraw/zinc/97/98/05/351979805.db2.gz ZVMYHMPEAXRXIN-SECBINFHSA-N 1 2 212.297 1.052 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)no1 ZINC000073106019 352059344 /nfs/dbraw/zinc/05/93/44/352059344.db2.gz ANRKAEYSAIPDOE-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)no1 ZINC000073106019 352059348 /nfs/dbraw/zinc/05/93/48/352059348.db2.gz ANRKAEYSAIPDOE-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000335976251 538102024 /nfs/dbraw/zinc/10/20/24/538102024.db2.gz BZURDUWRMUNXAA-SNVBAGLBSA-N 1 2 233.315 1.767 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000335976251 538102026 /nfs/dbraw/zinc/10/20/26/538102026.db2.gz BZURDUWRMUNXAA-SNVBAGLBSA-N 1 2 233.315 1.767 20 0 BDADLO CCN1CC[N@H+](Cc2nc(C)ccc2O)[C@@H](C)C1 ZINC000289190955 352175231 /nfs/dbraw/zinc/17/52/31/352175231.db2.gz AUXHVUIIUIDAHV-LBPRGKRZSA-N 1 2 249.358 1.622 20 0 BDADLO CCN1CC[N@@H+](Cc2nc(C)ccc2O)[C@@H](C)C1 ZINC000289190955 352175234 /nfs/dbraw/zinc/17/52/34/352175234.db2.gz AUXHVUIIUIDAHV-LBPRGKRZSA-N 1 2 249.358 1.622 20 0 BDADLO CC[N@H+](Cc1cnnn1C)[C@@H](C)c1cccnc1 ZINC000290345275 352221414 /nfs/dbraw/zinc/22/14/14/352221414.db2.gz FTDDEQVPAZTOAG-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cnnn1C)[C@@H](C)c1cccnc1 ZINC000290345275 352221417 /nfs/dbraw/zinc/22/14/17/352221417.db2.gz FTDDEQVPAZTOAG-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1c(Cl)cnn1C)C[C@H](C)OC ZINC000291090226 352259982 /nfs/dbraw/zinc/25/99/82/352259982.db2.gz PGZACNOENGJUCX-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO CC[N@H+](Cc1c(Cl)cnn1C)C[C@H](C)OC ZINC000291090226 352259983 /nfs/dbraw/zinc/25/99/83/352259983.db2.gz PGZACNOENGJUCX-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2[nH]ncc2C)o1 ZINC000291898856 352293761 /nfs/dbraw/zinc/29/37/61/352293761.db2.gz ZIOLGAJTTYMOGT-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2n[nH]cc2C)o1 ZINC000291898856 352293766 /nfs/dbraw/zinc/29/37/66/352293766.db2.gz ZIOLGAJTTYMOGT-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CCN(c1cc(C)[nH+]c(C2CC2)n1)[C@H](C)CO ZINC000291978743 352296361 /nfs/dbraw/zinc/29/63/61/352296361.db2.gz WUIILXCZXMHTEO-SNVBAGLBSA-N 1 2 235.331 1.870 20 0 BDADLO COC(=O)C1([NH2+]CC[C@@H](C)O)CCCCC1 ZINC000411272642 191174098 /nfs/dbraw/zinc/17/40/98/191174098.db2.gz GMOFNFZIIOUHEI-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)ccc1F ZINC000073366807 352328930 /nfs/dbraw/zinc/32/89/30/352328930.db2.gz RDMMWLQWJSQCBS-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO CCC[C@](C)(NCc1cn(C)c[nH+]1)C(=O)OC ZINC000618904192 352331563 /nfs/dbraw/zinc/33/15/63/352331563.db2.gz XODONRYFLWQQEP-LBPRGKRZSA-N 1 2 239.319 1.242 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)N(C)C(C)C ZINC000411662846 191202163 /nfs/dbraw/zinc/20/21/63/191202163.db2.gz GPWUUDYKPNQVBF-UHFFFAOYSA-N 1 2 249.358 1.689 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)N(C)C(C)C ZINC000411662846 191202166 /nfs/dbraw/zinc/20/21/66/191202166.db2.gz GPWUUDYKPNQVBF-UHFFFAOYSA-N 1 2 249.358 1.689 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NOC1CCCC1 ZINC000271684177 180745215 /nfs/dbraw/zinc/74/52/15/180745215.db2.gz KKIWFHMJVDMMQY-UHFFFAOYSA-N 1 2 238.291 1.094 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCN(C(C)C)C2=O)o1 ZINC000638638523 352480038 /nfs/dbraw/zinc/48/00/38/352480038.db2.gz GVCLBWYNDLDQBF-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO CC(C)CN(C)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298262886 352497463 /nfs/dbraw/zinc/49/74/63/352497463.db2.gz OPCDEMMAOIKSPA-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)CN(C)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298262886 352497466 /nfs/dbraw/zinc/49/74/66/352497466.db2.gz OPCDEMMAOIKSPA-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](CC[C@@H](C)O)C2 ZINC000411954287 191233628 /nfs/dbraw/zinc/23/36/28/191233628.db2.gz PCHYIQJKMAADNB-SNVBAGLBSA-N 1 2 233.311 1.976 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](CC[C@@H](C)O)C2 ZINC000411954287 191233631 /nfs/dbraw/zinc/23/36/31/191233631.db2.gz PCHYIQJKMAADNB-SNVBAGLBSA-N 1 2 233.311 1.976 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000412021502 191238317 /nfs/dbraw/zinc/23/83/17/191238317.db2.gz OKOUVVBJTIXRHH-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO CC[N@H+](Cc1occc1C)Cc1nccc(N)n1 ZINC000412024365 191239814 /nfs/dbraw/zinc/23/98/14/191239814.db2.gz FSZVLWWNKJSFGG-UHFFFAOYSA-N 1 2 246.314 1.813 20 0 BDADLO CC[N@@H+](Cc1occc1C)Cc1nccc(N)n1 ZINC000412024365 191239817 /nfs/dbraw/zinc/23/98/17/191239817.db2.gz FSZVLWWNKJSFGG-UHFFFAOYSA-N 1 2 246.314 1.813 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000638743066 352675789 /nfs/dbraw/zinc/67/57/89/352675789.db2.gz ICELDXHIJDUNJY-SECBINFHSA-N 1 2 249.343 1.217 20 0 BDADLO COc1ccc(N[C@H]2CCCNC(=O)C2)[nH+]c1 ZINC000638781065 352731342 /nfs/dbraw/zinc/73/13/42/352731342.db2.gz RPTBRWBZGFQZTB-VIFPVBQESA-N 1 2 235.287 1.171 20 0 BDADLO COc1ccc(N[C@@H]2CCCNC(=O)C2)[nH+]c1 ZINC000638781064 352731445 /nfs/dbraw/zinc/73/14/45/352731445.db2.gz RPTBRWBZGFQZTB-SECBINFHSA-N 1 2 235.287 1.171 20 0 BDADLO CO[C@H](CNc1ccc[nH+]c1C)[C@@H]1CCOC1 ZINC000638786137 352741617 /nfs/dbraw/zinc/74/16/17/352741617.db2.gz KCCAMMBSLDEYBF-DGCLKSJQSA-N 1 2 236.315 1.853 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2(C)CCC2)n1 ZINC000336446364 180790229 /nfs/dbraw/zinc/79/02/29/180790229.db2.gz WEJSNIJDNSIGFG-UHFFFAOYSA-N 1 2 232.287 1.836 20 0 BDADLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)OC ZINC000412037528 191246944 /nfs/dbraw/zinc/24/69/44/191246944.db2.gz IQLLZABHXWBHDS-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)OC ZINC000412037528 191246945 /nfs/dbraw/zinc/24/69/45/191246945.db2.gz IQLLZABHXWBHDS-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCOCC1 ZINC000334238117 352857176 /nfs/dbraw/zinc/85/71/76/352857176.db2.gz JJTSQXHWQAGMRR-UHFFFAOYSA-N 1 2 237.303 1.407 20 0 BDADLO COC1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342808600 352861038 /nfs/dbraw/zinc/86/10/38/352861038.db2.gz RDIIYJAGIJYJLR-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO CC(C)N(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000334230732 352848391 /nfs/dbraw/zinc/84/83/91/352848391.db2.gz SHBCWYCSDTURRG-LLVKDONJSA-N 1 2 247.342 1.845 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH+]c[nH]2)c(C)s1 ZINC000334271047 352907806 /nfs/dbraw/zinc/90/78/06/352907806.db2.gz GLLHSUNUYQPTPD-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH]c[nH+]2)c(C)s1 ZINC000334271047 352907807 /nfs/dbraw/zinc/90/78/07/352907807.db2.gz GLLHSUNUYQPTPD-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1cc(NC(=O)c2cc(F)c[nH]2)cc[nH+]1 ZINC000334267671 352903068 /nfs/dbraw/zinc/90/30/68/352903068.db2.gz ZVXMSRSKCXTATO-UHFFFAOYSA-N 1 2 219.219 1.531 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@H]2CCCOC2)c[nH+]1 ZINC000334331658 352967734 /nfs/dbraw/zinc/96/77/34/352967734.db2.gz LOJCYGUNIYRDRW-WPRPVWTQSA-N 1 2 237.303 1.263 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCCNC(=O)C1 ZINC000638824682 353005812 /nfs/dbraw/zinc/00/58/12/353005812.db2.gz UNUSLPHJOCZTBC-SECBINFHSA-N 1 2 235.287 1.171 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCOCC1CC1 ZINC000224512117 180822618 /nfs/dbraw/zinc/82/26/18/180822618.db2.gz CLADXLWPEPYIIT-UHFFFAOYSA-N 1 2 247.302 1.202 20 0 BDADLO Cc1cc(NCC[C@H](O)C(C)C)nc(C2CC2)[nH+]1 ZINC000608088058 353061275 /nfs/dbraw/zinc/06/12/75/353061275.db2.gz OXHGWWAIKUKMOB-LBPRGKRZSA-N 1 2 249.358 1.903 20 0 BDADLO CC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000334413606 353095562 /nfs/dbraw/zinc/09/55/62/353095562.db2.gz VXEFKDBOAHLZKE-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@@H](CO)Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000608097770 353132471 /nfs/dbraw/zinc/13/24/71/353132471.db2.gz USWRIRRTJATZAL-QMMMGPOBSA-N 1 2 236.300 1.135 20 0 BDADLO CCCCOCC[N@H+](C)Cc1cc[nH]n1 ZINC000357952542 188067299 /nfs/dbraw/zinc/06/72/99/188067299.db2.gz DUCUEDORMYNCLJ-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1cc[nH]n1 ZINC000357952542 188067301 /nfs/dbraw/zinc/06/73/01/188067301.db2.gz DUCUEDORMYNCLJ-UHFFFAOYSA-N 1 2 211.309 1.658 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C1CC1 ZINC000373530102 188075998 /nfs/dbraw/zinc/07/59/98/188075998.db2.gz BFPFLORUMCNGFO-CYBMUJFWSA-N 1 2 247.342 1.754 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121641569 188076311 /nfs/dbraw/zinc/07/63/11/188076311.db2.gz OUHAYGWCYDHEDF-AWEZNQCLSA-N 1 2 249.310 1.745 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121641569 188076313 /nfs/dbraw/zinc/07/63/13/188076313.db2.gz OUHAYGWCYDHEDF-AWEZNQCLSA-N 1 2 249.310 1.745 20 0 BDADLO CC(C)N(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000373568384 188076428 /nfs/dbraw/zinc/07/64/28/188076428.db2.gz MIDRNDKBGKQQDU-NSHDSACASA-N 1 2 247.342 1.845 20 0 BDADLO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccns1 ZINC000638951136 353156184 /nfs/dbraw/zinc/15/61/84/353156184.db2.gz QUKWJZBSHVZHKW-LBPRGKRZSA-N 1 2 239.388 1.915 20 0 BDADLO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccns1 ZINC000638951136 353156185 /nfs/dbraw/zinc/15/61/85/353156185.db2.gz QUKWJZBSHVZHKW-LBPRGKRZSA-N 1 2 239.388 1.915 20 0 BDADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCC[C@@H]21 ZINC000328874482 353167425 /nfs/dbraw/zinc/16/74/25/353167425.db2.gz RPRJBSMTXKYMLU-IUCAKERBSA-N 1 2 236.319 1.521 20 0 BDADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCC[C@@H]21 ZINC000328874482 353167427 /nfs/dbraw/zinc/16/74/27/353167427.db2.gz RPRJBSMTXKYMLU-IUCAKERBSA-N 1 2 236.319 1.521 20 0 BDADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCC[C@H]21 ZINC000328874480 353167445 /nfs/dbraw/zinc/16/74/45/353167445.db2.gz RPRJBSMTXKYMLU-BDAKNGLRSA-N 1 2 236.319 1.521 20 0 BDADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCC[C@H]21 ZINC000328874480 353167447 /nfs/dbraw/zinc/16/74/47/353167447.db2.gz RPRJBSMTXKYMLU-BDAKNGLRSA-N 1 2 236.319 1.521 20 0 BDADLO CC(C)N1CC[C@@H](Nc2cccc[nH+]2)C1=O ZINC000265114148 188087754 /nfs/dbraw/zinc/08/77/54/188087754.db2.gz IEPKTHIHKCFCLP-SNVBAGLBSA-N 1 2 219.288 1.503 20 0 BDADLO CC[C@](C)(C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000638975471 353182570 /nfs/dbraw/zinc/18/25/70/353182570.db2.gz XADAIAUNCZBTOD-CYBMUJFWSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@](C)(C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000638975471 353182571 /nfs/dbraw/zinc/18/25/71/353182571.db2.gz XADAIAUNCZBTOD-CYBMUJFWSA-N 1 2 237.347 1.822 20 0 BDADLO FC(F)(F)Cn1cc[nH+]c1Cn1cncn1 ZINC000336681600 180886752 /nfs/dbraw/zinc/88/67/52/180886752.db2.gz QZXROPFTIBDWJZ-UHFFFAOYSA-N 1 2 231.181 1.085 20 0 BDADLO CCC[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291533396 538110639 /nfs/dbraw/zinc/11/06/39/538110639.db2.gz WMKHZXDBVIGLMP-SECBINFHSA-N 1 2 209.293 1.473 20 0 BDADLO CN1CC[N@H+](CCCCC(F)(F)F)CC1=O ZINC000154151216 538110811 /nfs/dbraw/zinc/11/08/11/538110811.db2.gz NBHVBTVXAYONLG-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO CN1CC[N@@H+](CCCCC(F)(F)F)CC1=O ZINC000154151216 538110812 /nfs/dbraw/zinc/11/08/12/538110812.db2.gz NBHVBTVXAYONLG-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)no1 ZINC000331008958 353212187 /nfs/dbraw/zinc/21/21/87/353212187.db2.gz MMSGYMFAGZTGNC-SKDRFNHKSA-N 1 2 239.319 1.273 20 0 BDADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368333924 188157364 /nfs/dbraw/zinc/15/73/64/188157364.db2.gz UTMZLODBAMJRJV-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)(C)OC(=O)CCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368333924 188157365 /nfs/dbraw/zinc/15/73/65/188157365.db2.gz UTMZLODBAMJRJV-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)(C)c1nc(NCCCO)cc[nH+]1 ZINC000301552981 188160084 /nfs/dbraw/zinc/16/00/84/188160084.db2.gz RKEZFDHUIGQXLF-UHFFFAOYSA-N 1 2 209.293 1.568 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@@H](O)Cn1cccn1 ZINC000178558463 188166582 /nfs/dbraw/zinc/16/65/82/188166582.db2.gz KNAOUOQMHJLTCQ-SNVBAGLBSA-N 1 2 247.289 1.220 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)Cn1cccn1 ZINC000178558463 188166584 /nfs/dbraw/zinc/16/65/84/188166584.db2.gz KNAOUOQMHJLTCQ-SNVBAGLBSA-N 1 2 247.289 1.220 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccc3nccn32)CCO1 ZINC000179663433 188167733 /nfs/dbraw/zinc/16/77/33/188167733.db2.gz PUOJVXXUYLLSKX-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccc3nccn32)CCO1 ZINC000179663433 188167734 /nfs/dbraw/zinc/16/77/34/188167734.db2.gz PUOJVXXUYLLSKX-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000179663433 188167736 /nfs/dbraw/zinc/16/77/36/188167736.db2.gz PUOJVXXUYLLSKX-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000185026042 188169926 /nfs/dbraw/zinc/16/99/26/188169926.db2.gz PFQLAPDHHGUPOF-NSHDSACASA-N 1 2 223.320 1.682 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000191144413 188172663 /nfs/dbraw/zinc/17/26/63/188172663.db2.gz VBESOYLUSMXOPZ-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000191144413 188172665 /nfs/dbraw/zinc/17/26/65/188172665.db2.gz VBESOYLUSMXOPZ-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1cocn1 ZINC000191088320 188172886 /nfs/dbraw/zinc/17/28/86/188172886.db2.gz BRHUUMJLLXVUCO-UHFFFAOYSA-N 1 2 223.301 1.806 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1cocn1 ZINC000191088320 188172888 /nfs/dbraw/zinc/17/28/88/188172888.db2.gz BRHUUMJLLXVUCO-UHFFFAOYSA-N 1 2 223.301 1.806 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264983451 188194782 /nfs/dbraw/zinc/19/47/82/188194782.db2.gz IWYRQXISJVWRMT-QWRGUYRKSA-N 1 2 223.320 1.680 20 0 BDADLO Cc1nc(N(C)CCc2ccncc2)cc[nH+]1 ZINC000266391950 188194990 /nfs/dbraw/zinc/19/49/90/188194990.db2.gz OBLLPRFIGXFWGS-UHFFFAOYSA-N 1 2 228.299 1.859 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCCO2)cc[nH+]1 ZINC000266382898 188195652 /nfs/dbraw/zinc/19/56/52/188195652.db2.gz NEWBAYGFPDRVMP-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000272186175 188199164 /nfs/dbraw/zinc/19/91/64/188199164.db2.gz JYAONNCJNPZLPI-NEPJUHHUSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1ccnc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000336706482 188182722 /nfs/dbraw/zinc/18/27/22/188182722.db2.gz RSOWXGOSRFVESN-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000336706482 188182724 /nfs/dbraw/zinc/18/27/24/188182724.db2.gz RSOWXGOSRFVESN-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)COCC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000337486348 188186141 /nfs/dbraw/zinc/18/61/41/188186141.db2.gz ZGCIISYBYHEFJM-MLGOLLRUSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)COCC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000337486348 188186143 /nfs/dbraw/zinc/18/61/43/188186143.db2.gz ZGCIISYBYHEFJM-MLGOLLRUSA-N 1 2 247.404 1.502 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]1F ZINC000340782272 188216959 /nfs/dbraw/zinc/21/69/59/188216959.db2.gz MCGNYZYSQDTGJV-GHMZBOCLSA-N 1 2 239.294 1.360 20 0 BDADLO COc1ccc(CNc2cc[nH+]cc2F)cn1 ZINC000341929354 188217946 /nfs/dbraw/zinc/21/79/46/188217946.db2.gz AKBZNTYHHCQZPY-UHFFFAOYSA-N 1 2 233.246 1.658 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000275004846 188201073 /nfs/dbraw/zinc/20/10/73/188201073.db2.gz QEUYHTYRQNHIKK-BXKDBHETSA-N 1 2 221.304 1.708 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC(C)(C)C1 ZINC000276620665 188201862 /nfs/dbraw/zinc/20/18/62/188201862.db2.gz QURSUYBDRLVJIS-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278991951 188203857 /nfs/dbraw/zinc/20/38/57/188203857.db2.gz RAZAHAGYYIANTB-UHFFFAOYSA-N 1 2 247.342 1.945 20 0 BDADLO CC(=O)CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000282432097 188206666 /nfs/dbraw/zinc/20/66/66/188206666.db2.gz ZAVYUPBNQXBAAC-LLVKDONJSA-N 1 2 249.314 1.485 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000134565244 538113193 /nfs/dbraw/zinc/11/31/93/538113193.db2.gz ADBYZBKPNHLUCG-LDYMZIIASA-N 1 2 211.309 1.386 20 0 BDADLO CC1(C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000287060463 188209684 /nfs/dbraw/zinc/20/96/84/188209684.db2.gz JFZOGPYOXNQPSS-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)C[C@H](C)O ZINC000291369543 188212159 /nfs/dbraw/zinc/21/21/59/188212159.db2.gz ZSTCMPMMXMQIGS-WPRPVWTQSA-N 1 2 243.328 1.275 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)C[C@H](C)O ZINC000291369543 188212160 /nfs/dbraw/zinc/21/21/60/188212160.db2.gz ZSTCMPMMXMQIGS-WPRPVWTQSA-N 1 2 243.328 1.275 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336507122 188231397 /nfs/dbraw/zinc/23/13/97/188231397.db2.gz KOJQBLYBKFGKFH-TXEJJXNPSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336507122 188231399 /nfs/dbraw/zinc/23/13/99/188231399.db2.gz KOJQBLYBKFGKFH-TXEJJXNPSA-N 1 2 221.304 1.092 20 0 BDADLO COc1ccc(N[C@@H]2CCO[C@@H]2C)[nH+]c1 ZINC000225835515 538114161 /nfs/dbraw/zinc/11/41/61/538114161.db2.gz KOCVNYXTOKDAAC-PSASIEDQSA-N 1 2 208.261 1.680 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000134993386 538114369 /nfs/dbraw/zinc/11/43/69/538114369.db2.gz FQTRDHIVADLHSW-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000134993386 538114370 /nfs/dbraw/zinc/11/43/70/538114370.db2.gz FQTRDHIVADLHSW-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000282471166 188223161 /nfs/dbraw/zinc/22/31/61/188223161.db2.gz GMMLRYRGNWTSSN-UHFFFAOYSA-N 1 2 206.245 1.698 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCc2ccncc21 ZINC000330009185 538114669 /nfs/dbraw/zinc/11/46/69/538114669.db2.gz HEQYAVAQHRFJRW-UHFFFAOYSA-N 1 2 242.282 1.327 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCc2ccncc21 ZINC000330009185 538114670 /nfs/dbraw/zinc/11/46/70/538114670.db2.gz HEQYAVAQHRFJRW-UHFFFAOYSA-N 1 2 242.282 1.327 20 0 BDADLO C[C@H](Cc1ccoc1)[NH2+]Cc1ccn[nH]1 ZINC000084961422 538115379 /nfs/dbraw/zinc/11/53/79/538115379.db2.gz YPVLRJJBFBOLSG-SECBINFHSA-N 1 2 205.261 1.724 20 0 BDADLO Cc1cc(NCc2cnn3ccccc23)nc[nH+]1 ZINC000343285973 353355113 /nfs/dbraw/zinc/35/51/13/353355113.db2.gz LRXJNOKDNMTRMY-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)sn1 ZINC000639058699 353365290 /nfs/dbraw/zinc/36/52/90/353365290.db2.gz UGOHMTSENNVYRW-WDEREUQCSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)sn1 ZINC000639058699 353365293 /nfs/dbraw/zinc/36/52/93/353365293.db2.gz UGOHMTSENNVYRW-WDEREUQCSA-N 1 2 239.388 1.976 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000230009240 353420609 /nfs/dbraw/zinc/42/06/09/353420609.db2.gz LYTXFNWKGOOBDV-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000230009240 353420611 /nfs/dbraw/zinc/42/06/11/353420611.db2.gz LYTXFNWKGOOBDV-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC[C@@H]1CCO1 ZINC000639084511 353421992 /nfs/dbraw/zinc/42/19/92/353421992.db2.gz OPDASTZXNFMPER-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC[C@@H]1CCO1 ZINC000639084511 353421996 /nfs/dbraw/zinc/42/19/96/353421996.db2.gz OPDASTZXNFMPER-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO CS[C@@H]1CCCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091631884 353410363 /nfs/dbraw/zinc/41/03/63/353410363.db2.gz FXRQKHWHTVXFRU-MRVPVSSYSA-N 1 2 242.348 1.228 20 0 BDADLO CS[C@@H]1CCCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091631884 353410365 /nfs/dbraw/zinc/41/03/65/353410365.db2.gz FXRQKHWHTVXFRU-MRVPVSSYSA-N 1 2 242.348 1.228 20 0 BDADLO CCOC1CC(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000563742292 353453584 /nfs/dbraw/zinc/45/35/84/353453584.db2.gz KHCLSLWTRPQQIV-UHFFFAOYSA-N 1 2 248.326 1.874 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CC1(C)C ZINC000398381829 363229345 /nfs/dbraw/zinc/22/93/45/363229345.db2.gz HLNFLJADMGLYNR-VHSXEESVSA-N 1 2 208.309 1.719 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn[nH]n1)[C@@H]1CC1(C)C ZINC000398381829 363229348 /nfs/dbraw/zinc/22/93/48/363229348.db2.gz HLNFLJADMGLYNR-VHSXEESVSA-N 1 2 208.309 1.719 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000309040307 491051852 /nfs/dbraw/zinc/05/18/52/491051852.db2.gz KVILBSWMIPTMER-DTWKUNHWSA-N 1 2 211.309 1.794 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)sn1 ZINC000639093676 353471253 /nfs/dbraw/zinc/47/12/53/353471253.db2.gz NNZDZPJSDWKQQP-VHSXEESVSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)sn1 ZINC000639093676 353471257 /nfs/dbraw/zinc/47/12/57/353471257.db2.gz NNZDZPJSDWKQQP-VHSXEESVSA-N 1 2 242.344 1.033 20 0 BDADLO O=C1NCC[C@@H]1CC[N@H+]1CCCC[C@H]1C(F)F ZINC000577883880 366095988 /nfs/dbraw/zinc/09/59/88/366095988.db2.gz VVDFAQFOHPCWAE-ZJUUUORDSA-N 1 2 246.301 1.632 20 0 BDADLO O=C1NCC[C@@H]1CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000577883880 366095992 /nfs/dbraw/zinc/09/59/92/366095992.db2.gz VVDFAQFOHPCWAE-ZJUUUORDSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1cncc(NCc2c[nH+]cn2C)c1 ZINC000227603582 363244572 /nfs/dbraw/zinc/24/45/72/363244572.db2.gz BGJMDTIMPZLHKD-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343322963 353690229 /nfs/dbraw/zinc/69/02/29/353690229.db2.gz NZYZJTRSMSNGSZ-GMTAPVOTSA-N 1 2 233.315 1.218 20 0 BDADLO Cc1[nH]c(CNCc2ncccc2F)[nH+]c1C ZINC000577887535 366098691 /nfs/dbraw/zinc/09/86/91/366098691.db2.gz VBDASSQAZWTCML-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO CC(C)C1C[NH+](Cc2ncnn2C(C)C)C1 ZINC000639118775 353759947 /nfs/dbraw/zinc/75/99/47/353759947.db2.gz RITZSNFONYZYQZ-UHFFFAOYSA-N 1 2 222.336 1.947 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)CS1 ZINC000639125996 353827563 /nfs/dbraw/zinc/82/75/63/353827563.db2.gz ACTZPXNGNUHNKP-IONNQARKSA-N 1 2 239.344 1.931 20 0 BDADLO Fc1cncc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000275101191 181019720 /nfs/dbraw/zinc/01/97/20/181019720.db2.gz CJTYZKSMDQLZHJ-STQMWFEESA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cncc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000275101191 181019722 /nfs/dbraw/zinc/01/97/22/181019722.db2.gz CJTYZKSMDQLZHJ-STQMWFEESA-N 1 2 236.290 1.974 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCC2(F)F)c[nH+]1 ZINC000334524360 353895554 /nfs/dbraw/zinc/89/55/54/353895554.db2.gz AGJZSHGNVPBWEM-QMMMGPOBSA-N 1 2 243.257 1.883 20 0 BDADLO O=C1CCCN1[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000334524612 353896059 /nfs/dbraw/zinc/89/60/59/353896059.db2.gz OKEZAOPGFCIHCD-LLVKDONJSA-N 1 2 231.299 1.283 20 0 BDADLO CCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000334524814 353896487 /nfs/dbraw/zinc/89/64/87/353896487.db2.gz XWQHNJQKHYAKNU-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CC3)sn1 ZINC000639144265 353851182 /nfs/dbraw/zinc/85/11/82/353851182.db2.gz UGROMKCSUZORAO-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CC3)sn1 ZINC000639144265 353851184 /nfs/dbraw/zinc/85/11/84/353851184.db2.gz UGROMKCSUZORAO-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1nc(N2CC[C@@H](COC(F)F)C2)cc[nH+]1 ZINC000343508625 353922830 /nfs/dbraw/zinc/92/28/30/353922830.db2.gz QRKXJJIOAOMYBO-SECBINFHSA-N 1 2 243.257 1.851 20 0 BDADLO C[C@H]1C[N@H+](CCn2cc(Cl)cn2)CCO1 ZINC000334548462 353986824 /nfs/dbraw/zinc/98/68/24/353986824.db2.gz WCVGKPZUWOHOHW-VIFPVBQESA-N 1 2 229.711 1.257 20 0 BDADLO C[C@H]1C[N@@H+](CCn2cc(Cl)cn2)CCO1 ZINC000334548462 353986825 /nfs/dbraw/zinc/98/68/25/353986825.db2.gz WCVGKPZUWOHOHW-VIFPVBQESA-N 1 2 229.711 1.257 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000334552119 353992101 /nfs/dbraw/zinc/99/21/01/353992101.db2.gz JNDNTTUJQTZPCO-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC000334552119 353992103 /nfs/dbraw/zinc/99/21/03/353992103.db2.gz JNDNTTUJQTZPCO-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000343650715 353954105 /nfs/dbraw/zinc/95/41/05/353954105.db2.gz KKWGVGVXZWFAPR-VXGBXAGGSA-N 1 2 235.331 1.824 20 0 BDADLO c1nc(C2CC2)ncc1C[NH+]1CCSCC1 ZINC000334557562 354004523 /nfs/dbraw/zinc/00/45/23/354004523.db2.gz FCPFPKBFJKXHHJ-UHFFFAOYSA-N 1 2 235.356 1.903 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000334557580 354004951 /nfs/dbraw/zinc/00/49/51/354004951.db2.gz FZEWBXZMGWBKKC-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000334557580 354004953 /nfs/dbraw/zinc/00/49/53/354004953.db2.gz FZEWBXZMGWBKKC-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO CC(C)(C(=O)Nc1ncccc1O)c1c[nH+]c[nH]1 ZINC000343855460 354023372 /nfs/dbraw/zinc/02/33/72/354023372.db2.gz RZGJWTGQEDWOOU-UHFFFAOYSA-N 1 2 246.270 1.427 20 0 BDADLO CC(C)(C(=O)Nc1ncccc1O)c1c[nH]c[nH+]1 ZINC000343855460 354023373 /nfs/dbraw/zinc/02/33/73/354023373.db2.gz RZGJWTGQEDWOOU-UHFFFAOYSA-N 1 2 246.270 1.427 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000334564141 354083190 /nfs/dbraw/zinc/08/31/90/354083190.db2.gz SWGVYCVRPNDPGR-JTQLQIEISA-N 1 2 212.272 1.232 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@](C)(F)C1 ZINC000334564141 354083194 /nfs/dbraw/zinc/08/31/94/354083194.db2.gz SWGVYCVRPNDPGR-JTQLQIEISA-N 1 2 212.272 1.232 20 0 BDADLO CCn1nncc1C[N@@H+]1CCc2sccc2C1 ZINC000334564704 354083914 /nfs/dbraw/zinc/08/39/14/354083914.db2.gz NERBDCGKUHDAQU-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCn1nncc1C[N@H+]1CCc2sccc2C1 ZINC000334564704 354083916 /nfs/dbraw/zinc/08/39/16/354083916.db2.gz NERBDCGKUHDAQU-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000343988248 354061293 /nfs/dbraw/zinc/06/12/93/354061293.db2.gz QJRUZBZBIVMHDJ-OUAUKWLOSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](O)[C@@H](C)SCCCn1cc[nH+]c1 ZINC000230720519 363321764 /nfs/dbraw/zinc/32/17/64/363321764.db2.gz PWGUEYYVFLSZTR-NXEZZACHSA-N 1 2 214.334 1.776 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn(C)nn1 ZINC000334569042 354094109 /nfs/dbraw/zinc/09/41/09/354094109.db2.gz OIQPCGLOOJOHSO-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nn1 ZINC000334569042 354094111 /nfs/dbraw/zinc/09/41/11/354094111.db2.gz OIQPCGLOOJOHSO-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@@H](C)S1 ZINC000334569381 354095153 /nfs/dbraw/zinc/09/51/53/354095153.db2.gz LWEUTLMOVLRBRA-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO Cn1ccc(CCNc2cccc[nH+]2)n1 ZINC000230878379 363326100 /nfs/dbraw/zinc/32/61/00/363326100.db2.gz QHAGBBULSVJINO-UHFFFAOYSA-N 1 2 202.261 1.470 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1O ZINC000344161778 354168617 /nfs/dbraw/zinc/16/86/17/354168617.db2.gz KCJBJRJYTKJBEC-SNVBAGLBSA-N 1 2 237.299 1.428 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1O ZINC000344161778 354168619 /nfs/dbraw/zinc/16/86/19/354168619.db2.gz KCJBJRJYTKJBEC-SNVBAGLBSA-N 1 2 237.299 1.428 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)n(C)n1 ZINC000344179523 354175305 /nfs/dbraw/zinc/17/53/05/354175305.db2.gz WEFRQMRYPHYFRW-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000334592371 354246886 /nfs/dbraw/zinc/24/68/86/354246886.db2.gz HIMYNSPTPUFDIO-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000334592371 354246889 /nfs/dbraw/zinc/24/68/89/354246889.db2.gz HIMYNSPTPUFDIO-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000334592371 354246891 /nfs/dbraw/zinc/24/68/91/354246891.db2.gz HIMYNSPTPUFDIO-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000334592371 354246893 /nfs/dbraw/zinc/24/68/93/354246893.db2.gz HIMYNSPTPUFDIO-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000529663095 324373643 /nfs/dbraw/zinc/37/36/43/324373643.db2.gz VQTKCXDMQMIGEV-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000529663095 324373645 /nfs/dbraw/zinc/37/36/45/324373645.db2.gz VQTKCXDMQMIGEV-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000232149125 363365212 /nfs/dbraw/zinc/36/52/12/363365212.db2.gz LXLUITWBWMXGTD-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000232149125 363365214 /nfs/dbraw/zinc/36/52/14/363365214.db2.gz LXLUITWBWMXGTD-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO Cc1[nH+]cccc1Cn1cnc(C2CC2)n1 ZINC000642332322 363366948 /nfs/dbraw/zinc/36/69/48/363366948.db2.gz BYUSMJPBQMMWAO-UHFFFAOYSA-N 1 2 214.272 1.907 20 0 BDADLO CO[C@](C)(C[N@H+](C)Cc1nncn1C)C1CC1 ZINC000639182964 354341089 /nfs/dbraw/zinc/34/10/89/354341089.db2.gz PIUDHPBCZCJCGW-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@](C)(C[N@@H+](C)Cc1nncn1C)C1CC1 ZINC000639182964 354341091 /nfs/dbraw/zinc/34/10/91/354341091.db2.gz PIUDHPBCZCJCGW-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CNC(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334632480 354375423 /nfs/dbraw/zinc/37/54/23/354375423.db2.gz DTDFINFKPVCBDY-GFCCVEGCSA-N 1 2 234.299 1.553 20 0 BDADLO CNC(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334632480 354375425 /nfs/dbraw/zinc/37/54/25/354375425.db2.gz DTDFINFKPVCBDY-GFCCVEGCSA-N 1 2 234.299 1.553 20 0 BDADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ncnn1C ZINC000639185993 354379919 /nfs/dbraw/zinc/37/99/19/354379919.db2.gz HHTHSDWKPAPECN-ZANVPECISA-N 1 2 244.298 1.427 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000334623754 354362458 /nfs/dbraw/zinc/36/24/58/354362458.db2.gz BHYHYBWTZRAVAJ-NSHDSACASA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000334623754 354362461 /nfs/dbraw/zinc/36/24/61/354362461.db2.gz BHYHYBWTZRAVAJ-NSHDSACASA-N 1 2 216.300 1.335 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)CC[S@@]1=O ZINC000351924474 134006795 /nfs/dbraw/zinc/00/67/95/134006795.db2.gz GFWHYHMZJDCHBG-SUNKGSAMSA-N 1 2 213.346 1.548 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[S@@]1=O ZINC000351924474 134006796 /nfs/dbraw/zinc/00/67/96/134006796.db2.gz GFWHYHMZJDCHBG-SUNKGSAMSA-N 1 2 213.346 1.548 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2cscn2)CCCO1 ZINC000334646824 354437351 /nfs/dbraw/zinc/43/73/51/354437351.db2.gz OIGHDSXWMYMESD-SNVBAGLBSA-N 1 2 230.308 1.704 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2cscn2)CCCO1 ZINC000334646824 354437355 /nfs/dbraw/zinc/43/73/55/354437355.db2.gz OIGHDSXWMYMESD-SNVBAGLBSA-N 1 2 230.308 1.704 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H]1C1CC1 ZINC000334667091 354406106 /nfs/dbraw/zinc/40/61/06/354406106.db2.gz AQGDPSUNCCRZDC-GFCCVEGCSA-N 1 2 241.294 1.959 20 0 BDADLO C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CC=CCC1 ZINC000334666970 354406372 /nfs/dbraw/zinc/40/63/72/354406372.db2.gz VUQOKXKKICQIST-CQSZACIVSA-N 1 2 245.326 1.972 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn[nH]n2)CC(C)(C)C1 ZINC000334675810 354418874 /nfs/dbraw/zinc/41/88/74/354418874.db2.gz LKORLILRWNKBNI-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)CC(C)(C)C1 ZINC000334675810 354418878 /nfs/dbraw/zinc/41/88/78/354418878.db2.gz LKORLILRWNKBNI-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO CCCCOCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000345037091 354447970 /nfs/dbraw/zinc/44/79/70/354447970.db2.gz SODVRNXEMSCMIN-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO NC(=O)[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC000334660816 354459870 /nfs/dbraw/zinc/45/98/70/354459870.db2.gz AJZBKFWXISYSRX-NSHDSACASA-N 1 2 224.304 1.723 20 0 BDADLO NC(=O)[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC000334660816 354459872 /nfs/dbraw/zinc/45/98/72/354459872.db2.gz AJZBKFWXISYSRX-NSHDSACASA-N 1 2 224.304 1.723 20 0 BDADLO CC[C@@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000334664734 354465932 /nfs/dbraw/zinc/46/59/32/354465932.db2.gz ZHIAKVVKOSSXKG-NSHDSACASA-N 1 2 247.298 1.529 20 0 BDADLO C[C@H]1C[C@@H](C(=O)Nc2c[nH+]c3n2CCCC3)CO1 ZINC000334665173 354466952 /nfs/dbraw/zinc/46/69/52/354466952.db2.gz DCFBIDPDBSZUIK-VHSXEESVSA-N 1 2 249.314 1.583 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ncc(Cl)s2)C1 ZINC000334745268 354469169 /nfs/dbraw/zinc/46/91/69/354469169.db2.gz FDLSOOBKKCEFCB-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000334745268 354469171 /nfs/dbraw/zinc/46/91/71/354469171.db2.gz FDLSOOBKKCEFCB-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO O=C(C1CC=CC1)N1CCn2cc[nH+]c2C1 ZINC000334747721 354472605 /nfs/dbraw/zinc/47/26/05/354472605.db2.gz KUARBSPNEMRDGU-UHFFFAOYSA-N 1 2 217.272 1.192 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000334688782 354476924 /nfs/dbraw/zinc/47/69/24/354476924.db2.gz DTPDZBHYBHFYLT-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO COCc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000578061047 366207155 /nfs/dbraw/zinc/20/71/55/366207155.db2.gz HLVIIKGZYPKZRH-UHFFFAOYSA-N 1 2 245.282 1.668 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CC[C@H](C)O2)cc[nH+]1 ZINC000334693161 354483271 /nfs/dbraw/zinc/48/32/71/354483271.db2.gz LRLABVLUVXBNEQ-CMPLNLGQSA-N 1 2 249.314 1.501 20 0 BDADLO CCN1CC[N@H+](Cc2ccco2)[C@@H](C)C1=O ZINC000334708648 354504075 /nfs/dbraw/zinc/50/40/75/354504075.db2.gz OQFPCQJEJSNBRY-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CCN1CC[N@@H+](Cc2ccco2)[C@@H](C)C1=O ZINC000334708648 354504076 /nfs/dbraw/zinc/50/40/76/354504076.db2.gz OQFPCQJEJSNBRY-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO Cc1cc(C)c(CNC(=O)N2CCC2)c[nH+]1 ZINC000334717489 354516217 /nfs/dbraw/zinc/51/62/17/354516217.db2.gz BEMQLFRGGMULAV-UHFFFAOYSA-N 1 2 219.288 1.614 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)[C@H]1CCOC1 ZINC000334720260 354520414 /nfs/dbraw/zinc/52/04/14/354520414.db2.gz GFFCDRSSMDKROY-LBPRGKRZSA-N 1 2 235.331 1.440 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)[C@H]2CCCCS2)C1 ZINC000334763085 354583600 /nfs/dbraw/zinc/58/36/00/354583600.db2.gz XYUNUHJCWSGWEM-LLVKDONJSA-N 1 2 242.388 1.481 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2cnn(C)c2)CC1(F)F ZINC000335937741 134012861 /nfs/dbraw/zinc/01/28/61/134012861.db2.gz ITIZHMDGFBXLJO-SNVBAGLBSA-N 1 2 243.301 1.940 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cnn(C)c2)CC1(F)F ZINC000335937741 134012862 /nfs/dbraw/zinc/01/28/62/134012862.db2.gz ITIZHMDGFBXLJO-SNVBAGLBSA-N 1 2 243.301 1.940 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000335937894 134013232 /nfs/dbraw/zinc/01/32/32/134013232.db2.gz PNYKFLSGUHTCSJ-AWEZNQCLSA-N 1 2 215.362 1.796 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000335937894 134013233 /nfs/dbraw/zinc/01/32/33/134013233.db2.gz PNYKFLSGUHTCSJ-AWEZNQCLSA-N 1 2 215.362 1.796 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccns2)CCC1(F)F ZINC000639197667 354598750 /nfs/dbraw/zinc/59/87/50/354598750.db2.gz XKZSWOBWQOJMJK-QMMMGPOBSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccns2)CCC1(F)F ZINC000639197667 354598754 /nfs/dbraw/zinc/59/87/54/354598754.db2.gz XKZSWOBWQOJMJK-QMMMGPOBSA-N 1 2 248.298 1.593 20 0 BDADLO C[C@@H]1CC=C(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000334744597 354548447 /nfs/dbraw/zinc/54/84/47/354548447.db2.gz XFNGQJVKTIOTIK-LLVKDONJSA-N 1 2 245.326 1.972 20 0 BDADLO C[C@]1(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1F ZINC000335091210 354627774 /nfs/dbraw/zinc/62/77/74/354627774.db2.gz LFLMNNZCSIRNKX-MFKMUULPSA-N 1 2 247.273 1.699 20 0 BDADLO Cc1cc(C)c(NC(=O)N[C@@H]2CC[C@H]2O)c(C)[nH+]1 ZINC000335093958 354631795 /nfs/dbraw/zinc/63/17/95/354631795.db2.gz BOZPYMRUULTZQP-GHMZBOCLSA-N 1 2 249.314 1.652 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H](F)C1 ZINC000335089465 354624160 /nfs/dbraw/zinc/62/41/60/354624160.db2.gz GDBPKDVMUDBSGP-BDAKNGLRSA-N 1 2 225.267 1.554 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCOCC12CC2 ZINC000335108367 354694639 /nfs/dbraw/zinc/69/46/39/354694639.db2.gz GKFFKGZDLGUHJR-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCOC[C@H]1C ZINC000335110497 354696949 /nfs/dbraw/zinc/69/69/49/354696949.db2.gz ODIBKRJUAHFLMD-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2CO)oc1C ZINC000335117171 354707854 /nfs/dbraw/zinc/70/78/54/354707854.db2.gz JHPKXTHBXWMCJG-JTQLQIEISA-N 1 2 242.344 1.201 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H]2CO)oc1C ZINC000335117171 354707857 /nfs/dbraw/zinc/70/78/57/354707857.db2.gz JHPKXTHBXWMCJG-JTQLQIEISA-N 1 2 242.344 1.201 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345690943 354733116 /nfs/dbraw/zinc/73/31/16/354733116.db2.gz CGTNYDQFVHTMKA-UWVGGRQHSA-N 1 2 248.317 1.878 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000345708162 354754887 /nfs/dbraw/zinc/75/48/87/354754887.db2.gz NSCHOTYPPFKSLJ-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO Cn1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)n1 ZINC000345814820 354782900 /nfs/dbraw/zinc/78/29/00/354782900.db2.gz HVDCZKLBVSXBEQ-UHFFFAOYSA-N 1 2 247.346 1.731 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCOCC(F)(F)C1 ZINC000335136572 354785991 /nfs/dbraw/zinc/78/59/91/354785991.db2.gz NGURSKLVIRNCTG-SECBINFHSA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCOCC(F)(F)C1 ZINC000335136572 354785993 /nfs/dbraw/zinc/78/59/93/354785993.db2.gz NGURSKLVIRNCTG-SECBINFHSA-N 1 2 237.290 1.361 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ccc(F)cn1 ZINC000345817645 354786385 /nfs/dbraw/zinc/78/63/85/354786385.db2.gz YENFXYAGZWSIGR-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ccc(F)cn1 ZINC000345817645 354786386 /nfs/dbraw/zinc/78/63/86/354786386.db2.gz YENFXYAGZWSIGR-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO Cc1ncc([C@@H](C)[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000639209303 354738518 /nfs/dbraw/zinc/73/85/18/354738518.db2.gz ASFLQKKITAYJKU-MWLCHTKSSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@@H](C)[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000639209303 354738520 /nfs/dbraw/zinc/73/85/20/354738520.db2.gz ASFLQKKITAYJKU-MWLCHTKSSA-N 1 2 235.331 1.875 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cccc(F)c2N)[nH]1 ZINC000639215690 354809793 /nfs/dbraw/zinc/80/97/93/354809793.db2.gz FIWQVXNDRHYOBE-UHFFFAOYSA-N 1 2 249.293 1.378 20 0 BDADLO O[C@@H](Cc1ccccc1)C[N@@H+]1CCC(F)(F)C1 ZINC000345966299 354822675 /nfs/dbraw/zinc/82/26/75/354822675.db2.gz WKJSPWBKCZRZST-LBPRGKRZSA-N 1 2 241.281 1.931 20 0 BDADLO O[C@@H](Cc1ccccc1)C[N@H+]1CCC(F)(F)C1 ZINC000345966299 354822679 /nfs/dbraw/zinc/82/26/79/354822679.db2.gz WKJSPWBKCZRZST-LBPRGKRZSA-N 1 2 241.281 1.931 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC(C)C)C1CC1 ZINC000234563575 363425316 /nfs/dbraw/zinc/42/53/16/363425316.db2.gz ZUVOVCIZVSUUMS-LLVKDONJSA-N 1 2 229.320 1.200 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC(C)C)C1CC1 ZINC000234551268 363423975 /nfs/dbraw/zinc/42/39/75/363423975.db2.gz ZUVOVCIZVSUUMS-NSHDSACASA-N 1 2 229.320 1.200 20 0 BDADLO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)OC ZINC000233841403 363410064 /nfs/dbraw/zinc/41/00/64/363410064.db2.gz OMDFPIDDQDNFJL-BDAKNGLRSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)[nH]n1 ZINC000335161034 354912159 /nfs/dbraw/zinc/91/21/59/354912159.db2.gz ASVHBLRDWQUWJC-IUCAKERBSA-N 1 2 245.286 1.350 20 0 BDADLO COC1(C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000346258647 354882640 /nfs/dbraw/zinc/88/26/40/354882640.db2.gz IMHFULMCRJFFMZ-UHFFFAOYSA-N 1 2 219.288 1.579 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000335956639 134023339 /nfs/dbraw/zinc/02/33/39/134023339.db2.gz FQGMHUACUYPAPD-VHSXEESVSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000346440078 354937319 /nfs/dbraw/zinc/93/73/19/354937319.db2.gz WMLGGPCSJGLODE-PWSUYJOCSA-N 1 2 243.314 1.718 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000346440078 354937322 /nfs/dbraw/zinc/93/73/22/354937322.db2.gz WMLGGPCSJGLODE-PWSUYJOCSA-N 1 2 243.314 1.718 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335179950 354953656 /nfs/dbraw/zinc/95/36/56/354953656.db2.gz FVVAXBKSNOOGQH-ZWNOBZJWSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335179950 354953658 /nfs/dbraw/zinc/95/36/58/354953658.db2.gz FVVAXBKSNOOGQH-ZWNOBZJWSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335179950 354953660 /nfs/dbraw/zinc/95/36/60/354953660.db2.gz FVVAXBKSNOOGQH-ZWNOBZJWSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335179950 354953664 /nfs/dbraw/zinc/95/36/64/354953664.db2.gz FVVAXBKSNOOGQH-ZWNOBZJWSA-N 1 2 235.331 1.717 20 0 BDADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cnccn1 ZINC000346525954 354976459 /nfs/dbraw/zinc/97/64/59/354976459.db2.gz MVQIOCJQAZBAJL-QWRGUYRKSA-N 1 2 247.298 1.844 20 0 BDADLO Cc1cc(N2C[C@H](C)OC[C@@H]2C)nc[nH+]1 ZINC000346596820 354988385 /nfs/dbraw/zinc/98/83/85/354988385.db2.gz VCHANPIPHSJICK-UWVGGRQHSA-N 1 2 207.277 1.399 20 0 BDADLO COCC[N@H+](C)Cc1ncnn1CC(C)C ZINC000351972037 134024890 /nfs/dbraw/zinc/02/48/90/134024890.db2.gz ZJZGFJGRMWRNBG-UHFFFAOYSA-N 1 2 226.324 1.012 20 0 BDADLO COCC[N@@H+](C)Cc1ncnn1CC(C)C ZINC000351972037 134024891 /nfs/dbraw/zinc/02/48/91/134024891.db2.gz ZJZGFJGRMWRNBG-UHFFFAOYSA-N 1 2 226.324 1.012 20 0 BDADLO C[C@H](O)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000346583744 355001190 /nfs/dbraw/zinc/00/11/90/355001190.db2.gz BVJQYKNPVOKNMH-VIFPVBQESA-N 1 2 245.282 1.074 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn2cccnc2n1 ZINC000639226657 355034396 /nfs/dbraw/zinc/03/43/96/355034396.db2.gz GWTFQUZRQHCEAF-UHFFFAOYSA-N 1 2 243.270 1.316 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000639226897 355045172 /nfs/dbraw/zinc/04/51/72/355045172.db2.gz GHXFWAIWPPMFSF-SSDOTTSWSA-N 1 2 216.281 1.696 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000639226897 355045175 /nfs/dbraw/zinc/04/51/75/355045175.db2.gz GHXFWAIWPPMFSF-SSDOTTSWSA-N 1 2 216.281 1.696 20 0 BDADLO CN(c1[nH+]c2ccc(F)cc2n1C)[C@@H]1CCOC1 ZINC000335227741 355069346 /nfs/dbraw/zinc/06/93/46/355069346.db2.gz DKRDUKCPYYRFFT-SNVBAGLBSA-N 1 2 249.289 1.938 20 0 BDADLO C[C@@H]1CC[N@H+](CCC(F)(F)F)CC[S@@]1=O ZINC000335228728 355070934 /nfs/dbraw/zinc/07/09/34/355070934.db2.gz MCFDJCBIQSTQLZ-GLEZIHRCSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@@H]1CC[N@@H+](CCC(F)(F)F)CC[S@@]1=O ZINC000335228728 355070938 /nfs/dbraw/zinc/07/09/38/355070938.db2.gz MCFDJCBIQSTQLZ-GLEZIHRCSA-N 1 2 243.294 1.782 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2CNC(=O)C2)c1Cl ZINC000335239072 355101085 /nfs/dbraw/zinc/10/10/85/355101085.db2.gz QAGOLSXUPGWWKR-MRVPVSSYSA-N 1 2 239.706 1.591 20 0 BDADLO CC1(C)CC[C@@]2(C1)NC(=O)[C@@H]1CSCC[N@H+]12 ZINC000335259753 355199775 /nfs/dbraw/zinc/19/97/75/355199775.db2.gz SEBZAWWDJWAMRA-JOYOIKCWSA-N 1 2 240.372 1.440 20 0 BDADLO CC1(C)CC[C@@]2(C1)NC(=O)[C@@H]1CSCC[N@@H+]12 ZINC000335259753 355199776 /nfs/dbraw/zinc/19/97/76/355199776.db2.gz SEBZAWWDJWAMRA-JOYOIKCWSA-N 1 2 240.372 1.440 20 0 BDADLO COC[C@@H](C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413088027 191355350 /nfs/dbraw/zinc/35/53/50/191355350.db2.gz WDIBXPUZQIEIMP-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO COC[C@@H](C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413088027 191355352 /nfs/dbraw/zinc/35/53/52/191355352.db2.gz WDIBXPUZQIEIMP-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO CC[C@H](COC)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413161847 191360431 /nfs/dbraw/zinc/36/04/31/191360431.db2.gz ZJYMWSBGYPDENK-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO CC[C@H](COC)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413161847 191360434 /nfs/dbraw/zinc/36/04/34/191360434.db2.gz ZJYMWSBGYPDENK-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352010063 134035530 /nfs/dbraw/zinc/03/55/30/134035530.db2.gz YRZSBNGMGXVTFY-BDAKNGLRSA-N 1 2 235.274 1.915 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352010063 134035531 /nfs/dbraw/zinc/03/55/31/134035531.db2.gz YRZSBNGMGXVTFY-BDAKNGLRSA-N 1 2 235.274 1.915 20 0 BDADLO CC[C@H]1C[N@H+](CCNC(=O)CC2CC2)CCO1 ZINC000347632459 355241783 /nfs/dbraw/zinc/24/17/83/355241783.db2.gz PQUSILIKHKRAGY-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1C[N@@H+](CCNC(=O)CC2CC2)CCO1 ZINC000347632459 355241787 /nfs/dbraw/zinc/24/17/87/355241787.db2.gz PQUSILIKHKRAGY-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1C[N@H+](CCNC(=O)CC(C)C)CCO1 ZINC000347633405 355242425 /nfs/dbraw/zinc/24/24/25/355242425.db2.gz QHLJMISHDIIACI-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H]1C[N@@H+](CCNC(=O)CC(C)C)CCO1 ZINC000347633405 355242429 /nfs/dbraw/zinc/24/24/29/355242429.db2.gz QHLJMISHDIIACI-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1nccn1C)OC ZINC000412975574 191346002 /nfs/dbraw/zinc/34/60/02/191346002.db2.gz FXNCFXVFWRGSPL-SNVBAGLBSA-N 1 2 211.309 1.277 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1nccn1C)OC ZINC000412975574 191346004 /nfs/dbraw/zinc/34/60/04/191346004.db2.gz FXNCFXVFWRGSPL-SNVBAGLBSA-N 1 2 211.309 1.277 20 0 BDADLO COC[C@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413087961 191355126 /nfs/dbraw/zinc/35/51/26/191355126.db2.gz ZYZTWPDTLWCJGQ-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO COC[C@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413087961 191355129 /nfs/dbraw/zinc/35/51/29/191355129.db2.gz ZYZTWPDTLWCJGQ-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO Cc1cc(N2CCO[C@@H](C3CCC3)C2)nc[nH+]1 ZINC000413477188 191386352 /nfs/dbraw/zinc/38/63/52/191386352.db2.gz NFWRCLZDPGZNCZ-GFCCVEGCSA-N 1 2 233.315 1.790 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)C[C@H](O)C2)[nH+]1 ZINC000413576737 191395056 /nfs/dbraw/zinc/39/50/56/191395056.db2.gz ISZSPCKLDKQYJX-SCZZXKLOSA-N 1 2 246.314 1.473 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413158882 191362517 /nfs/dbraw/zinc/36/25/17/191362517.db2.gz WDMUUFMKCXBEPR-BDAKNGLRSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413158882 191362519 /nfs/dbraw/zinc/36/25/19/191362519.db2.gz WDMUUFMKCXBEPR-BDAKNGLRSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413158883 191362595 /nfs/dbraw/zinc/36/25/95/191362595.db2.gz WDMUUFMKCXBEPR-DTWKUNHWSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413158883 191362597 /nfs/dbraw/zinc/36/25/97/191362597.db2.gz WDMUUFMKCXBEPR-DTWKUNHWSA-N 1 2 236.319 1.480 20 0 BDADLO CC[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1O ZINC000413196614 191362647 /nfs/dbraw/zinc/36/26/47/191362647.db2.gz AAHWVWCDYIMOKK-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1O ZINC000413196614 191362650 /nfs/dbraw/zinc/36/26/50/191362650.db2.gz AAHWVWCDYIMOKK-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO OCC(F)(F)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413229192 191365101 /nfs/dbraw/zinc/36/51/01/191365101.db2.gz KEWLUVFOVAHNKB-UHFFFAOYSA-N 1 2 244.245 1.090 20 0 BDADLO OCC(F)(F)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413229192 191365103 /nfs/dbraw/zinc/36/51/03/191365103.db2.gz KEWLUVFOVAHNKB-UHFFFAOYSA-N 1 2 244.245 1.090 20 0 BDADLO CCOCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413234023 191365340 /nfs/dbraw/zinc/36/53/40/191365340.db2.gz VUBHYUYYJHXJLP-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCOCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413234023 191365342 /nfs/dbraw/zinc/36/53/42/191365342.db2.gz VUBHYUYYJHXJLP-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO C[C@H](O)CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413271959 191368082 /nfs/dbraw/zinc/36/80/82/191368082.db2.gz UDGNLWJZNJKFPE-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO C[C@H](O)CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413271959 191368084 /nfs/dbraw/zinc/36/80/84/191368084.db2.gz UDGNLWJZNJKFPE-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413265956 191368217 /nfs/dbraw/zinc/36/82/17/191368217.db2.gz YHDIQYSPWBJYJQ-IUCAKERBSA-N 1 2 236.319 1.886 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413265956 191368220 /nfs/dbraw/zinc/36/82/20/191368220.db2.gz YHDIQYSPWBJYJQ-IUCAKERBSA-N 1 2 236.319 1.886 20 0 BDADLO Cc1nc(C)c(N2CCn3c[nH+]cc3C2)nc1C ZINC000413317314 191371013 /nfs/dbraw/zinc/37/10/13/191371013.db2.gz YSPDIIDLTZUFJB-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO CON1CCC(N(C)c2cc(C)[nH+]cn2)CC1 ZINC000413363474 191374422 /nfs/dbraw/zinc/37/44/22/191374422.db2.gz MVTUDIPCTQVRPE-UHFFFAOYSA-N 1 2 236.319 1.247 20 0 BDADLO CON1CCC(N(C)c2cccc[nH+]2)CC1 ZINC000413359623 191374499 /nfs/dbraw/zinc/37/44/99/191374499.db2.gz HLBUBPAORGMWMA-UHFFFAOYSA-N 1 2 221.304 1.544 20 0 BDADLO CON1CCC(N(C)c2cc[nH+]c(C)n2)CC1 ZINC000413359713 191375031 /nfs/dbraw/zinc/37/50/31/191375031.db2.gz HVZUMNZQTZGDHK-UHFFFAOYSA-N 1 2 236.319 1.247 20 0 BDADLO Cc1ncc(CNc2cc[nH+]c(C(C)C)n2)o1 ZINC000413421227 191381640 /nfs/dbraw/zinc/38/16/40/191381640.db2.gz KKSLDLVLVVFTOW-UHFFFAOYSA-N 1 2 232.287 1.930 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000639253577 355291060 /nfs/dbraw/zinc/29/10/60/355291060.db2.gz BLTZDBCSQROBLN-UHFFFAOYSA-N 1 2 247.338 1.967 20 0 BDADLO Cn1cc(C[NH+]2CC(C)(O)C2)c(C(C)(C)C)n1 ZINC000639253817 355293049 /nfs/dbraw/zinc/29/30/49/355293049.db2.gz RKAININETLDLAI-UHFFFAOYSA-N 1 2 237.347 1.284 20 0 BDADLO COCC1(C)C[NH+](Cc2snnc2C)C1 ZINC000639254963 355294606 /nfs/dbraw/zinc/29/46/06/355294606.db2.gz IUKTXAWBFNFNFN-UHFFFAOYSA-N 1 2 227.333 1.315 20 0 BDADLO CCn1ncnc1C[NH+]1CC(C(C)(C)C)C1 ZINC000639256415 355301212 /nfs/dbraw/zinc/30/12/12/355301212.db2.gz ZFZNOCRXZDWIBO-UHFFFAOYSA-N 1 2 222.336 1.776 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000394967531 355331391 /nfs/dbraw/zinc/33/13/91/355331391.db2.gz SFWZYLMEDICUKY-SECBINFHSA-N 1 2 241.335 1.613 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000394967531 355331392 /nfs/dbraw/zinc/33/13/92/355331392.db2.gz SFWZYLMEDICUKY-SECBINFHSA-N 1 2 241.335 1.613 20 0 BDADLO C[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@H](C)[S@@]1=O ZINC000335753518 355392520 /nfs/dbraw/zinc/39/25/20/355392520.db2.gz KJPQQPKIRIVBHV-CULMDFNYSA-N 1 2 243.372 1.174 20 0 BDADLO C[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H](C)[S@@]1=O ZINC000335753518 355392521 /nfs/dbraw/zinc/39/25/21/355392521.db2.gz KJPQQPKIRIVBHV-CULMDFNYSA-N 1 2 243.372 1.174 20 0 BDADLO C[C@@H]1C[NH+](CC2=CCCOC2)C[C@@H](C)S1=O ZINC000335753519 355393049 /nfs/dbraw/zinc/39/30/49/355393049.db2.gz KJPQQPKIRIVBHV-GHMZBOCLSA-N 1 2 243.372 1.174 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335793736 355447654 /nfs/dbraw/zinc/44/76/54/355447654.db2.gz KYEDFEJPJZSUAC-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCS(=O)CC1 ZINC000179290984 366237613 /nfs/dbraw/zinc/23/76/13/366237613.db2.gz DSYCESKDNVMRMQ-UHFFFAOYSA-N 1 2 249.339 1.142 20 0 BDADLO CC(C)(C(=O)NCCc1[nH]cc[nH+]1)C(F)F ZINC000349741693 355421344 /nfs/dbraw/zinc/42/13/44/355421344.db2.gz IEGDGQBQNBTEPO-UHFFFAOYSA-N 1 2 231.246 1.360 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cncs1 ZINC000335790241 355441367 /nfs/dbraw/zinc/44/13/67/355441367.db2.gz YPIMJFJZWRREKT-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cncs1 ZINC000335790241 355441370 /nfs/dbraw/zinc/44/13/70/355441370.db2.gz YPIMJFJZWRREKT-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO CCc1cc[nH+]cc1N[C@@H](C)Cn1cncn1 ZINC000639293363 355530910 /nfs/dbraw/zinc/53/09/10/355530910.db2.gz CMTUAEAPONKNQB-JTQLQIEISA-N 1 2 231.303 1.736 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000335824447 355546390 /nfs/dbraw/zinc/54/63/90/355546390.db2.gz FGWGMEZBTYWTBB-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000335824447 355546392 /nfs/dbraw/zinc/54/63/92/355546392.db2.gz FGWGMEZBTYWTBB-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335817126 355506897 /nfs/dbraw/zinc/50/68/97/355506897.db2.gz LSKSVPGXZZZCQH-WDEREUQCSA-N 1 2 235.331 1.606 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335819272 355510231 /nfs/dbraw/zinc/51/02/31/355510231.db2.gz JAXVNXPBQGTIQK-MGPLVRAMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335819272 355510234 /nfs/dbraw/zinc/51/02/34/355510234.db2.gz JAXVNXPBQGTIQK-MGPLVRAMSA-N 1 2 241.356 1.788 20 0 BDADLO CCc1cc(C)c(C(=O)N2CC[NH+](C)CC2)o1 ZINC000335820078 355511860 /nfs/dbraw/zinc/51/18/60/355511860.db2.gz CILFCJBDGIGJFY-UHFFFAOYSA-N 1 2 236.315 1.538 20 0 BDADLO C[NH2+]Cc1noc(C(F)(F)c2ccccc2)n1 ZINC000349888568 355519446 /nfs/dbraw/zinc/51/94/46/355519446.db2.gz IVYIHRSTRDXMFL-UHFFFAOYSA-N 1 2 239.225 1.929 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@]23CCOC3)cc[nH+]1 ZINC000335844054 355588123 /nfs/dbraw/zinc/58/81/23/355588123.db2.gz KCRVCVDDZUGQJQ-WCQYABFASA-N 1 2 232.283 1.177 20 0 BDADLO Cc1nnc([C@H]2C[N@H+](CC[C@H](C)F)CCO2)[nH]1 ZINC000352043411 134045546 /nfs/dbraw/zinc/04/55/46/134045546.db2.gz CZEMJASLQRAXHX-WCBMZHEXSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nnc([C@H]2C[N@@H+](CC[C@H](C)F)CCO2)[nH]1 ZINC000352043411 134045547 /nfs/dbraw/zinc/04/55/47/134045547.db2.gz CZEMJASLQRAXHX-WCBMZHEXSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CC[C@H](C)F)CCO2)n[nH]1 ZINC000352043411 134045548 /nfs/dbraw/zinc/04/55/48/134045548.db2.gz CZEMJASLQRAXHX-WCBMZHEXSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CC[C@H](C)F)CCO2)n[nH]1 ZINC000352043411 134045549 /nfs/dbraw/zinc/04/55/49/134045549.db2.gz CZEMJASLQRAXHX-WCBMZHEXSA-N 1 2 242.298 1.235 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@H]1CC12CC2 ZINC000583561099 355610782 /nfs/dbraw/zinc/61/07/82/355610782.db2.gz YYFIAKMFRYSPDJ-NSHDSACASA-N 1 2 247.298 1.442 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)C1CC(O)C1 ZINC000335836337 355563896 /nfs/dbraw/zinc/56/38/96/355563896.db2.gz YVSOGSGNCOCPAF-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)C1CC(O)C1 ZINC000335836337 355563899 /nfs/dbraw/zinc/56/38/99/355563899.db2.gz YVSOGSGNCOCPAF-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)c1ncc[nH]1 ZINC000582186542 355655619 /nfs/dbraw/zinc/65/56/19/355655619.db2.gz FZWCHQTWZRGKNU-UHFFFAOYSA-N 1 2 247.302 1.035 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000639309606 355665372 /nfs/dbraw/zinc/66/53/72/355665372.db2.gz LBMFKCFQDDXTAI-JTQLQIEISA-N 1 2 227.308 1.625 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000639309606 355665376 /nfs/dbraw/zinc/66/53/76/355665376.db2.gz LBMFKCFQDDXTAI-JTQLQIEISA-N 1 2 227.308 1.625 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ncccc1F ZINC000350158432 355617914 /nfs/dbraw/zinc/61/79/14/355617914.db2.gz KSHCLQZRAWJVDN-UHFFFAOYSA-N 1 2 248.261 1.111 20 0 BDADLO CCN(C(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000350173380 355619444 /nfs/dbraw/zinc/61/94/44/355619444.db2.gz BNVBDYYOLDGXQW-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CCC[C@@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639310489 355669891 /nfs/dbraw/zinc/66/98/91/355669891.db2.gz PMMAEWDYQWVUKU-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639310489 355669894 /nfs/dbraw/zinc/66/98/94/355669894.db2.gz PMMAEWDYQWVUKU-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(O)cc1 ZINC000350407662 355697886 /nfs/dbraw/zinc/69/78/86/355697886.db2.gz YSASUJMQGHDIKY-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO Cn1ncc2c1C[N@H+](CCC[C@@H]1CCO1)C2 ZINC000639323102 355714435 /nfs/dbraw/zinc/71/44/35/355714435.db2.gz VOBIAHNKVCDJBA-LLVKDONJSA-N 1 2 221.304 1.305 20 0 BDADLO Cn1ncc2c1C[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000639323102 355714436 /nfs/dbraw/zinc/71/44/36/355714436.db2.gz VOBIAHNKVCDJBA-LLVKDONJSA-N 1 2 221.304 1.305 20 0 BDADLO CCn1cc[nH+]c1CNCc1cc(OC)no1 ZINC000639323282 355716708 /nfs/dbraw/zinc/71/67/08/355716708.db2.gz AARBBALSKMMQIB-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cc(OC)no1 ZINC000639323320 355716968 /nfs/dbraw/zinc/71/69/68/355716968.db2.gz CBYGXKIUIQPUDI-UHFFFAOYSA-N 1 2 237.259 1.523 20 0 BDADLO COc1cc(C[NH2+]Cc2cc(C)n(C)n2)on1 ZINC000639324499 355719103 /nfs/dbraw/zinc/71/91/03/355719103.db2.gz MKHUYIGCBLFKDS-UHFFFAOYSA-N 1 2 236.275 1.015 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000335882679 355672577 /nfs/dbraw/zinc/67/25/77/355672577.db2.gz SOBCBABTYFCNOH-RYUDHWBXSA-N 1 2 233.315 1.674 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335883691 355674612 /nfs/dbraw/zinc/67/46/12/355674612.db2.gz HNPVYEPOGDJWMH-SECBINFHSA-N 1 2 221.304 1.602 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335883691 355674617 /nfs/dbraw/zinc/67/46/17/355674617.db2.gz HNPVYEPOGDJWMH-SECBINFHSA-N 1 2 221.304 1.602 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000639312896 355684073 /nfs/dbraw/zinc/68/40/73/355684073.db2.gz KQSLRCWXHWZDJT-MRVPVSSYSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@@H](F)C1 ZINC000639312896 355684077 /nfs/dbraw/zinc/68/40/77/355684077.db2.gz KQSLRCWXHWZDJT-MRVPVSSYSA-N 1 2 215.297 1.780 20 0 BDADLO CCC[C@@H](C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320925 355721115 /nfs/dbraw/zinc/72/11/15/355721115.db2.gz PJPVQFDJLWVTTC-NSHDSACASA-N 1 2 223.320 1.551 20 0 BDADLO CCC[C@@H](C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320925 355721116 /nfs/dbraw/zinc/72/11/16/355721116.db2.gz PJPVQFDJLWVTTC-NSHDSACASA-N 1 2 223.320 1.551 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009612 134050351 /nfs/dbraw/zinc/05/03/51/134050351.db2.gz YNTZAFSYBKFNLN-GXSJLCMTSA-N 1 2 238.331 1.927 20 0 BDADLO C[N@@H+]1CCO[C@H](CSc2ncc(F)cn2)C1 ZINC000584348419 355753660 /nfs/dbraw/zinc/75/36/60/355753660.db2.gz QGBDEDXPDQSDRF-VIFPVBQESA-N 1 2 243.307 1.038 20 0 BDADLO C[N@H+]1CCO[C@H](CSc2ncc(F)cn2)C1 ZINC000584348419 355753662 /nfs/dbraw/zinc/75/36/62/355753662.db2.gz QGBDEDXPDQSDRF-VIFPVBQESA-N 1 2 243.307 1.038 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000623246598 355759285 /nfs/dbraw/zinc/75/92/85/355759285.db2.gz WYKTVOYJVNLGRD-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000639333634 355763708 /nfs/dbraw/zinc/76/37/08/355763708.db2.gz YITAVGRMXFSBID-GXFFZTMASA-N 1 2 246.314 1.027 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OC ZINC000582196939 355731189 /nfs/dbraw/zinc/73/11/89/355731189.db2.gz BSYVCMSNNSINMD-MNOVXSKESA-N 1 2 227.304 1.263 20 0 BDADLO c1[nH]nnc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639341248 355782521 /nfs/dbraw/zinc/78/25/21/355782521.db2.gz JRWUUJOSJSUKJR-BBBLOLIVSA-N 1 2 206.293 1.331 20 0 BDADLO c1n[nH]nc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639341248 355782524 /nfs/dbraw/zinc/78/25/24/355782524.db2.gz JRWUUJOSJSUKJR-BBBLOLIVSA-N 1 2 206.293 1.331 20 0 BDADLO c1[nH]c2ncncc2c1C[NH+]1CC2(C1)CCCO2 ZINC000639347808 355795118 /nfs/dbraw/zinc/79/51/18/355795118.db2.gz RAHWGNIHKJOBGA-UHFFFAOYSA-N 1 2 244.298 1.274 20 0 BDADLO Cc1cc(N2CCC[C@H](CCO)C2)c(C#N)c[nH+]1 ZINC000398988374 355808201 /nfs/dbraw/zinc/80/82/01/355808201.db2.gz IRYZXLIENJJQQG-GFCCVEGCSA-N 1 2 245.326 1.861 20 0 BDADLO COc1cncc(C[NH2+]Cc2ncc[nH]2)c1C ZINC000639365047 355836949 /nfs/dbraw/zinc/83/69/49/355836949.db2.gz AGDUSPPCQPSGQO-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2ncc[nH]2)c(C)n1 ZINC000639366962 355846021 /nfs/dbraw/zinc/84/60/21/355846021.db2.gz ODABRVRQQBKJPH-MRVPVSSYSA-N 1 2 231.303 1.667 20 0 BDADLO Cc1cc(NCC(C)(C)CO)c(C#N)c[nH+]1 ZINC000399206723 355852125 /nfs/dbraw/zinc/85/21/25/355852125.db2.gz VXWSFCFRCNELEN-UHFFFAOYSA-N 1 2 219.288 1.114 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@]12C[C@@H]1CCC2 ZINC000623255345 355859755 /nfs/dbraw/zinc/85/97/55/355859755.db2.gz BULWFXMXTSWNIQ-CWSCBRNRSA-N 1 2 231.299 1.114 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000608564461 355860993 /nfs/dbraw/zinc/86/09/93/355860993.db2.gz YHZFVEDYSKNYIG-UHFFFAOYSA-N 1 2 247.342 1.027 20 0 BDADLO CN(C)c1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000608564461 355860996 /nfs/dbraw/zinc/86/09/96/355860996.db2.gz YHZFVEDYSKNYIG-UHFFFAOYSA-N 1 2 247.342 1.027 20 0 BDADLO NC(=O)CC1CC[NH+](Cc2cscn2)CC1 ZINC000193862768 181219898 /nfs/dbraw/zinc/21/98/98/181219898.db2.gz SZJYCGBIDSFCTI-UHFFFAOYSA-N 1 2 239.344 1.231 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1[C@H](C)C[C@H]1C ZINC000336055546 134066408 /nfs/dbraw/zinc/06/64/08/134066408.db2.gz NJGZXVNOKXOEJB-HTQZYQBOSA-N 1 2 236.319 1.448 20 0 BDADLO Cc1c[nH]c(NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000520420931 355920532 /nfs/dbraw/zinc/92/05/32/355920532.db2.gz PJARWQMXEOGSCN-VIFPVBQESA-N 1 2 233.275 1.504 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC=CCC1 ZINC000623256213 355936209 /nfs/dbraw/zinc/93/62/09/355936209.db2.gz BIPQPSJKGLDXSC-RISCZKNCSA-N 1 2 245.326 1.670 20 0 BDADLO COCC1(C2CC2)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000639383154 355937148 /nfs/dbraw/zinc/93/71/48/355937148.db2.gz SEOQMWBAPYKRHQ-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2nc(C)c(C)[nH]2)C1 ZINC000639383154 355937151 /nfs/dbraw/zinc/93/71/51/355937151.db2.gz SEOQMWBAPYKRHQ-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2c[nH+]c[nH]2)[nH]1 ZINC000336060129 134068662 /nfs/dbraw/zinc/06/86/62/134068662.db2.gz OWEBOBNZOGRQIZ-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2c[nH]c[nH+]2)[nH]1 ZINC000336060129 134068663 /nfs/dbraw/zinc/06/86/63/134068663.db2.gz OWEBOBNZOGRQIZ-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C[C@H]2CCCO2)n1 ZINC000351426952 355988833 /nfs/dbraw/zinc/98/88/33/355988833.db2.gz KOPCQJHXYWCWFU-SNVBAGLBSA-N 1 2 248.286 1.115 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000351488567 355999893 /nfs/dbraw/zinc/99/98/93/355999893.db2.gz AVRIELWHSSBGRC-GVXVVHGQSA-N 1 2 243.347 1.469 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351491928 356000909 /nfs/dbraw/zinc/00/09/09/356000909.db2.gz KQWYWKLVRPBVNJ-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351491928 356000910 /nfs/dbraw/zinc/00/09/10/356000910.db2.gz KQWYWKLVRPBVNJ-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1ccn(C)c1C(=O)NCCc1c[nH+]cn1C ZINC000525892153 259460622 /nfs/dbraw/zinc/46/06/22/259460622.db2.gz FQOITKUIKILLHI-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351153029 355954605 /nfs/dbraw/zinc/95/46/05/355954605.db2.gz ZIUXZGGTBPIGEH-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351153029 355954609 /nfs/dbraw/zinc/95/46/09/355954609.db2.gz ZIUXZGGTBPIGEH-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC000351505039 356004837 /nfs/dbraw/zinc/00/48/37/356004837.db2.gz LLZREJZLVBPBJA-XCBNKYQSSA-N 1 2 232.287 1.083 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)[C@@H](C)C2)[nH+]1 ZINC000351505042 356004950 /nfs/dbraw/zinc/00/49/50/356004950.db2.gz LLZREJZLVBPBJA-XVKPBYJWSA-N 1 2 232.287 1.083 20 0 BDADLO C[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)C[C@@H]1O ZINC000351504885 356005078 /nfs/dbraw/zinc/00/50/78/356005078.db2.gz KZLMTYPAIDLMKH-ONGXEEELSA-N 1 2 248.330 1.116 20 0 BDADLO C[C@H]1CN(c2cc(NCC3CC3)nc[nH+]2)C[C@@H]1O ZINC000351504885 356005081 /nfs/dbraw/zinc/00/50/81/356005081.db2.gz KZLMTYPAIDLMKH-ONGXEEELSA-N 1 2 248.330 1.116 20 0 BDADLO COCCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608747376 355969484 /nfs/dbraw/zinc/96/94/84/355969484.db2.gz AVUADAHSOMHWET-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608747376 355969488 /nfs/dbraw/zinc/96/94/88/355969488.db2.gz AVUADAHSOMHWET-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747371 355969797 /nfs/dbraw/zinc/96/97/97/355969797.db2.gz AVUADAHSOMHWET-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747371 355969803 /nfs/dbraw/zinc/96/98/03/355969803.db2.gz AVUADAHSOMHWET-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608747710 355971166 /nfs/dbraw/zinc/97/11/66/355971166.db2.gz BXGWBFURJZIWON-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608747710 355971173 /nfs/dbraw/zinc/97/11/73/355971173.db2.gz BXGWBFURJZIWON-XHNCKOQMSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)(F)F ZINC000623257526 356026096 /nfs/dbraw/zinc/02/60/96/356026096.db2.gz MZDKZDOROVOIFC-SFYZADRCSA-N 1 2 243.257 1.215 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(CCF)CC1 ZINC000623258180 356065468 /nfs/dbraw/zinc/06/54/68/356065468.db2.gz IRPOJTUOADBMER-SECBINFHSA-N 1 2 237.278 1.064 20 0 BDADLO COCCc1nc(C[N@H+](C)CCC2CC2)no1 ZINC000351711068 356066133 /nfs/dbraw/zinc/06/61/33/356066133.db2.gz AETPPTGAHXMCQI-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO COCCc1nc(C[N@@H+](C)CCC2CC2)no1 ZINC000351711068 356066135 /nfs/dbraw/zinc/06/61/35/356066135.db2.gz AETPPTGAHXMCQI-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC[C@@H](C)[N@H+](C)Cc1noc(CCOC)n1 ZINC000351714265 356068433 /nfs/dbraw/zinc/06/84/33/356068433.db2.gz BRMPJWCOHURHSM-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CC[C@@H](C)[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351714265 356068435 /nfs/dbraw/zinc/06/84/35/356068435.db2.gz BRMPJWCOHURHSM-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CC[C@@H](C)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259199 356081157 /nfs/dbraw/zinc/08/11/57/356081157.db2.gz UNQRLKZHEHMDLW-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO Cn1cccc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335914796 356152355 /nfs/dbraw/zinc/15/23/55/356152355.db2.gz NYMIEFRDAIXVIJ-SNVBAGLBSA-N 1 2 244.298 1.726 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cccc(CO)c1 ZINC000336093306 134079272 /nfs/dbraw/zinc/07/92/72/134079272.db2.gz TXKQMXFZXNFQOE-UHFFFAOYSA-N 1 2 242.278 1.557 20 0 BDADLO NC(=O)N1CCC[C@H](CNc2cccc[nH+]2)C1 ZINC000288499406 181252087 /nfs/dbraw/zinc/25/20/87/181252087.db2.gz MJNYQVYVIDBZRJ-SNVBAGLBSA-N 1 2 234.303 1.284 20 0 BDADLO CCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623264154 356229216 /nfs/dbraw/zinc/22/92/16/356229216.db2.gz HGANYJZWQAELKC-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CC[NH+](CC)CCSCc1cnn[nH]1 ZINC000352145117 134081867 /nfs/dbraw/zinc/08/18/67/134081867.db2.gz KFZDTZIIBOKXFE-UHFFFAOYSA-N 1 2 214.338 1.380 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc(C2CCC2)no1 ZINC000639471080 356259879 /nfs/dbraw/zinc/25/98/79/356259879.db2.gz LJRVAPSXSRXVJR-UHFFFAOYSA-N 1 2 239.319 1.852 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC(C)=C[C@H](C)C2)on1 ZINC000336113475 134087347 /nfs/dbraw/zinc/08/73/47/134087347.db2.gz UILOYSAQSBAFAQ-VIFPVBQESA-N 1 2 249.314 1.820 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC(C)=C[C@H](C)C2)on1 ZINC000336113475 134087348 /nfs/dbraw/zinc/08/73/48/134087348.db2.gz UILOYSAQSBAFAQ-VIFPVBQESA-N 1 2 249.314 1.820 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1CCO[C@@H]1C ZINC000639474121 356267536 /nfs/dbraw/zinc/26/75/36/356267536.db2.gz MJHJVNRWJBSZSM-ZJUUUORDSA-N 1 2 237.290 1.625 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCO[C@@H]1C ZINC000639474121 356267537 /nfs/dbraw/zinc/26/75/37/356267537.db2.gz MJHJVNRWJBSZSM-ZJUUUORDSA-N 1 2 237.290 1.625 20 0 BDADLO CCC[N@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639453056 356237348 /nfs/dbraw/zinc/23/73/48/356237348.db2.gz YEULHUVYIDCDCI-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CCC[N@@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639453056 356237352 /nfs/dbraw/zinc/23/73/52/356237352.db2.gz YEULHUVYIDCDCI-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000617638543 356241992 /nfs/dbraw/zinc/24/19/92/356241992.db2.gz PQVGYNBUINZPPI-NWDGAFQWSA-N 1 2 249.358 1.998 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000639460644 356244489 /nfs/dbraw/zinc/24/44/89/356244489.db2.gz KHAQZXDIYXPWQX-NSHDSACASA-N 1 2 248.317 1.880 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000639460644 356244492 /nfs/dbraw/zinc/24/44/92/356244492.db2.gz KHAQZXDIYXPWQX-NSHDSACASA-N 1 2 248.317 1.880 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@H]1CCc2ncnn21 ZINC000639461336 356245293 /nfs/dbraw/zinc/24/52/93/356245293.db2.gz SLWIFORCZQJAHO-JTQLQIEISA-N 1 2 249.343 1.354 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@H]1CCc2ncnn21 ZINC000639461336 356245294 /nfs/dbraw/zinc/24/52/94/356245294.db2.gz SLWIFORCZQJAHO-JTQLQIEISA-N 1 2 249.343 1.354 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000639460271 356248243 /nfs/dbraw/zinc/24/82/43/356248243.db2.gz SOEXHNGIMJOPEK-JTQLQIEISA-N 1 2 223.276 1.146 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000639460271 356248244 /nfs/dbraw/zinc/24/82/44/356248244.db2.gz SOEXHNGIMJOPEK-JTQLQIEISA-N 1 2 223.276 1.146 20 0 BDADLO CC[C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000617640186 356248956 /nfs/dbraw/zinc/24/89/56/356248956.db2.gz VFZCKVPEYHYSNP-SECBINFHSA-N 1 2 223.320 1.813 20 0 BDADLO CC[C@@H](C)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000617640186 356248961 /nfs/dbraw/zinc/24/89/61/356248961.db2.gz VFZCKVPEYHYSNP-SECBINFHSA-N 1 2 223.320 1.813 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639497602 356325947 /nfs/dbraw/zinc/32/59/47/356325947.db2.gz LHEUOFORRJVILG-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639497602 356325949 /nfs/dbraw/zinc/32/59/49/356325949.db2.gz LHEUOFORRJVILG-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO O=C(CCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265629 356299218 /nfs/dbraw/zinc/29/92/18/356299218.db2.gz KGLURGVDCXTMIB-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000271570415 181271820 /nfs/dbraw/zinc/27/18/20/181271820.db2.gz OOTLHPUVKFDJII-NSHDSACASA-N 1 2 236.340 1.089 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000271570415 181271821 /nfs/dbraw/zinc/27/18/21/181271821.db2.gz OOTLHPUVKFDJII-NSHDSACASA-N 1 2 236.340 1.089 20 0 BDADLO CCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623276856 356417924 /nfs/dbraw/zinc/41/79/24/356417924.db2.gz LSOVTHZGHNOCIU-VIFPVBQESA-N 1 2 207.277 1.114 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(C)[nH]1 ZINC000623274620 356408306 /nfs/dbraw/zinc/40/83/06/356408306.db2.gz QNWLZPXPSYNVJN-SNVBAGLBSA-N 1 2 244.298 1.183 20 0 BDADLO Cc1nsc(NC2CCC([NH+](C)C)CC2)n1 ZINC000420625087 192250864 /nfs/dbraw/zinc/25/08/64/192250864.db2.gz KEWQNYDDJGEGSC-UHFFFAOYSA-N 1 2 240.376 1.553 20 0 BDADLO C[C@H]1CC[N@H+](Cc2csnn2)CCS1 ZINC000190699490 356450622 /nfs/dbraw/zinc/45/06/22/356450622.db2.gz APEHEVBXRNZLMR-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2csnn2)CCS1 ZINC000190699490 356450625 /nfs/dbraw/zinc/45/06/25/356450625.db2.gz APEHEVBXRNZLMR-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000639554769 356457582 /nfs/dbraw/zinc/45/75/82/356457582.db2.gz MMEHCSHLAUWVJH-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@](C)(O)C1 ZINC000639554769 356457585 /nfs/dbraw/zinc/45/75/85/356457585.db2.gz MMEHCSHLAUWVJH-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C3CCC3)no2)C[C@@H]1O ZINC000639557437 356462373 /nfs/dbraw/zinc/46/23/73/356462373.db2.gz GPCNUNRHFFDAJM-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C3CCC3)no2)C[C@@H]1O ZINC000639557437 356462375 /nfs/dbraw/zinc/46/23/75/356462375.db2.gz GPCNUNRHFFDAJM-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000639551042 356434087 /nfs/dbraw/zinc/43/40/87/356434087.db2.gz GGEIXYNXUPDHKR-SCZZXKLOSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639551042 356434092 /nfs/dbraw/zinc/43/40/92/356434092.db2.gz GGEIXYNXUPDHKR-SCZZXKLOSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)N=c1nc(C(C)(C)C)o[nH]1 ZINC000580373302 356437124 /nfs/dbraw/zinc/43/71/24/356437124.db2.gz PDHWUXLPFOVYNC-VIFPVBQESA-N 1 2 249.318 1.486 20 0 BDADLO C[C@H]1C[C@H](CO)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000420623146 192247519 /nfs/dbraw/zinc/24/75/19/192247519.db2.gz JKFYFRQOMNXDCL-QWRGUYRKSA-N 1 2 247.342 1.809 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H](C)C2)no1 ZINC000190426229 356441828 /nfs/dbraw/zinc/44/18/28/356441828.db2.gz SYTRVZDQPKCQQK-MRVPVSSYSA-N 1 2 227.333 1.563 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H](C)C2)no1 ZINC000190426229 356441833 /nfs/dbraw/zinc/44/18/33/356441833.db2.gz SYTRVZDQPKCQQK-MRVPVSSYSA-N 1 2 227.333 1.563 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000128981687 324902827 /nfs/dbraw/zinc/90/28/27/324902827.db2.gz ZIJXJSZTYGDCQR-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO Cc1cc(N2CCC[C@H](CCO)CC2)nc[nH+]1 ZINC000420642051 192253516 /nfs/dbraw/zinc/25/35/16/192253516.db2.gz OIPXAXDPHBMQAB-LBPRGKRZSA-N 1 2 235.331 1.774 20 0 BDADLO Cc1cc(NC(=O)CC2CSC2)cc[nH+]1 ZINC000631254102 356470845 /nfs/dbraw/zinc/47/08/45/356470845.db2.gz LVFVTEBNJRCAKY-UHFFFAOYSA-N 1 2 222.313 1.504 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C[C@H]2CCOC2)n1 ZINC000420913193 192272214 /nfs/dbraw/zinc/27/22/14/192272214.db2.gz IOIAABPUXNITOS-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C[C@H]2CCOC2)n1 ZINC000420913193 192272217 /nfs/dbraw/zinc/27/22/17/192272217.db2.gz IOIAABPUXNITOS-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO Cc1cc(CNC(=O)N[C@H](C)CF)cc(C)[nH+]1 ZINC000420850928 192264217 /nfs/dbraw/zinc/26/42/17/192264217.db2.gz VRYYVHCPCAKSNH-SNVBAGLBSA-N 1 2 239.294 1.856 20 0 BDADLO C[C@H]([NH2+]Cc1nc(CC2CC2)no1)c1cn[nH]c1 ZINC000639582473 356503184 /nfs/dbraw/zinc/50/31/84/356503184.db2.gz CTUWMEHYMPGKLZ-QMMMGPOBSA-N 1 2 247.302 1.596 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000639602056 356521217 /nfs/dbraw/zinc/52/12/17/356521217.db2.gz NWUILZVAKWSYRQ-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000639602056 356521222 /nfs/dbraw/zinc/52/12/22/356521222.db2.gz NWUILZVAKWSYRQ-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO CCC(F)(F)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000639606523 356526863 /nfs/dbraw/zinc/52/68/63/356526863.db2.gz QDCPHMQTAZRODF-RKDXNWHRSA-N 1 2 225.279 1.095 20 0 BDADLO CCC(F)(F)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000639606523 356526868 /nfs/dbraw/zinc/52/68/68/356526868.db2.gz QDCPHMQTAZRODF-RKDXNWHRSA-N 1 2 225.279 1.095 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C2(CO)CCC2)n1 ZINC000420958954 192281586 /nfs/dbraw/zinc/28/15/86/192281586.db2.gz DYRIKGWPUFQKMW-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000420958954 192281587 /nfs/dbraw/zinc/28/15/87/192281587.db2.gz DYRIKGWPUFQKMW-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000639616486 356534013 /nfs/dbraw/zinc/53/40/13/356534013.db2.gz HZULTVWTBBGUSW-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000639616486 356534016 /nfs/dbraw/zinc/53/40/16/356534016.db2.gz HZULTVWTBBGUSW-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000639614360 356531936 /nfs/dbraw/zinc/53/19/36/356531936.db2.gz BJSXKYHFZVDRFP-JTQLQIEISA-N 1 2 232.274 1.244 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000639614360 356531941 /nfs/dbraw/zinc/53/19/41/356531941.db2.gz BJSXKYHFZVDRFP-JTQLQIEISA-N 1 2 232.274 1.244 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000639632529 356546285 /nfs/dbraw/zinc/54/62/85/356546285.db2.gz YOUZWOHUDCWSNG-DTWKUNHWSA-N 1 2 239.237 1.211 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000639632529 356546287 /nfs/dbraw/zinc/54/62/87/356546287.db2.gz YOUZWOHUDCWSNG-DTWKUNHWSA-N 1 2 239.237 1.211 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000639632532 356546879 /nfs/dbraw/zinc/54/68/79/356546879.db2.gz YOUZWOHUDCWSNG-RKDXNWHRSA-N 1 2 239.237 1.211 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000639632532 356546884 /nfs/dbraw/zinc/54/68/84/356546884.db2.gz YOUZWOHUDCWSNG-RKDXNWHRSA-N 1 2 239.237 1.211 20 0 BDADLO CCC(F)(F)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000639624729 356538152 /nfs/dbraw/zinc/53/81/52/356538152.db2.gz JIKWXNMVCICTOO-HTQZYQBOSA-N 1 2 220.263 1.146 20 0 BDADLO O=C(C1CC1)N1CC[N@H+](CC2=CCCCC2)C1 ZINC000420987792 192291395 /nfs/dbraw/zinc/29/13/95/192291395.db2.gz REYDXYOPWTYIPN-UHFFFAOYSA-N 1 2 234.343 1.999 20 0 BDADLO O=C(C1CC1)N1CC[N@@H+](CC2=CCCCC2)C1 ZINC000420987792 192291398 /nfs/dbraw/zinc/29/13/98/192291398.db2.gz REYDXYOPWTYIPN-UHFFFAOYSA-N 1 2 234.343 1.999 20 0 BDADLO C[C@@H](c1noc(Cc2c[nH+]cn2C)n1)C1CC1 ZINC000350422262 366277555 /nfs/dbraw/zinc/27/75/55/366277555.db2.gz WGNPVMMZKQVXKK-MRVPVSSYSA-N 1 2 232.287 1.907 20 0 BDADLO O=S1CC[NH+](CCC2=CCCCC2)CC1 ZINC000336194373 134125450 /nfs/dbraw/zinc/12/54/50/134125450.db2.gz MGSHESDDANDFHL-UHFFFAOYSA-N 1 2 227.373 1.941 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccsn1 ZINC000623298593 356555521 /nfs/dbraw/zinc/55/55/21/356555521.db2.gz FDNVKYCZQBYFFZ-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO CC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000639644594 356557242 /nfs/dbraw/zinc/55/72/42/356557242.db2.gz WEWVJAQXPQHUAX-SSDOTTSWSA-N 1 2 214.215 1.599 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000449847912 202044479 /nfs/dbraw/zinc/04/44/79/202044479.db2.gz CMWWWSKSLGXGTM-UWVGGRQHSA-N 1 2 234.299 1.974 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421042379 192310408 /nfs/dbraw/zinc/31/04/08/192310408.db2.gz ZLGVAWRQHYDGRD-ZDUSSCGKSA-N 1 2 240.347 1.156 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421042379 192310410 /nfs/dbraw/zinc/31/04/10/192310410.db2.gz ZLGVAWRQHYDGRD-ZDUSSCGKSA-N 1 2 240.347 1.156 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(CC3CC3)no2)[C@H]1C ZINC000639656143 356571431 /nfs/dbraw/zinc/57/14/31/356571431.db2.gz PAUMJCRBAUVXCW-BDAKNGLRSA-N 1 2 221.304 1.862 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(CC3CC3)no2)[C@H]1C ZINC000639656143 356571433 /nfs/dbraw/zinc/57/14/33/356571433.db2.gz PAUMJCRBAUVXCW-BDAKNGLRSA-N 1 2 221.304 1.862 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccccc1F ZINC000336208635 134133587 /nfs/dbraw/zinc/13/35/87/134133587.db2.gz JFTZCQUWCMLAKS-MNOVXSKESA-N 1 2 227.254 1.730 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccc1F ZINC000336208635 134133588 /nfs/dbraw/zinc/13/35/88/134133588.db2.gz JFTZCQUWCMLAKS-MNOVXSKESA-N 1 2 227.254 1.730 20 0 BDADLO CCc1nc(N(CCO)[C@H](C)CC)cc(C)[nH+]1 ZINC000288489297 363491985 /nfs/dbraw/zinc/49/19/85/363491985.db2.gz LSXLBLKJWZEBDH-LLVKDONJSA-N 1 2 237.347 1.945 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639677819 356593492 /nfs/dbraw/zinc/59/34/92/356593492.db2.gz KPYQDRYQENSASZ-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639677819 356593495 /nfs/dbraw/zinc/59/34/95/356593495.db2.gz KPYQDRYQENSASZ-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO O=C(Cc1ccoc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303825 356594109 /nfs/dbraw/zinc/59/41/09/356594109.db2.gz LTHJNDCHKPIQJC-LLVKDONJSA-N 1 2 245.282 1.150 20 0 BDADLO O=C(CC1CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301154 356575255 /nfs/dbraw/zinc/57/52/55/356575255.db2.gz FWZYJMZFAPACRD-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302916 356584891 /nfs/dbraw/zinc/58/48/91/356584891.db2.gz RZVOBGLGJUJDKG-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623307857 356614678 /nfs/dbraw/zinc/61/46/78/356614678.db2.gz PPXXSRYITVMJCI-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(CCC1CCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623308223 356616436 /nfs/dbraw/zinc/61/64/36/356616436.db2.gz XDFHGXCLDLRJNH-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(CCC1CCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623308224 356615685 /nfs/dbraw/zinc/61/56/85/356615685.db2.gz XDFHGXCLDLRJNH-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000623308710 356618032 /nfs/dbraw/zinc/61/80/32/356618032.db2.gz HZQCYLOROBLKTH-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639723379 356619804 /nfs/dbraw/zinc/61/98/04/356619804.db2.gz IVVPZPVOPDMGPU-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639723379 356619808 /nfs/dbraw/zinc/61/98/08/356619808.db2.gz IVVPZPVOPDMGPU-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)C[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353010698 356648819 /nfs/dbraw/zinc/64/88/19/356648819.db2.gz WRKDNJNJWUBEJO-UHFFFAOYSA-N 1 2 238.253 1.349 20 0 BDADLO CC(C)C[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353010698 356648823 /nfs/dbraw/zinc/64/88/23/356648823.db2.gz WRKDNJNJWUBEJO-UHFFFAOYSA-N 1 2 238.253 1.349 20 0 BDADLO CNc1nc(NC2CCC2)[nH+]c2ccccc21 ZINC000450326747 202129465 /nfs/dbraw/zinc/12/94/65/202129465.db2.gz ZMLDULKGDQHNPS-UHFFFAOYSA-N 1 2 228.299 1.480 20 0 BDADLO COCCN1CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)C1 ZINC000389441008 356672680 /nfs/dbraw/zinc/67/26/80/356672680.db2.gz IBEFKRIDLDXASA-VHSXEESVSA-N 1 2 236.306 1.340 20 0 BDADLO C[NH+](C)[C@@H]1CCC[C@H](N=c2[nH]ncs2)C1 ZINC000450367192 202144383 /nfs/dbraw/zinc/14/43/83/202144383.db2.gz BFRHDTFLNUYGKF-DTWKUNHWSA-N 1 2 226.349 1.245 20 0 BDADLO Cc1cc(N[C@@H]2CCOC[C@H]2C)c(C#N)c[nH+]1 ZINC000399410843 356694221 /nfs/dbraw/zinc/69/42/21/356694221.db2.gz ZHYUSVKZQGBPSB-BXKDBHETSA-N 1 2 231.299 1.521 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H]2CCOC2)s1 ZINC000450394377 202151665 /nfs/dbraw/zinc/15/16/65/202151665.db2.gz RFIGHOQLVPXNOL-VIFPVBQESA-N 1 2 241.360 1.882 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCOC2)s1 ZINC000450394377 202151669 /nfs/dbraw/zinc/15/16/69/202151669.db2.gz RFIGHOQLVPXNOL-VIFPVBQESA-N 1 2 241.360 1.882 20 0 BDADLO CCC[C@@](C)([NH2+]CCC[C@H](C)O)C(=O)OC ZINC000450421199 202160327 /nfs/dbraw/zinc/16/03/27/202160327.db2.gz SJLVZGVUKZGICM-CMPLNLGQSA-N 1 2 231.336 1.469 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c[nH]1 ZINC000639776234 356717954 /nfs/dbraw/zinc/71/79/54/356717954.db2.gz KKGLCJJWJRXJQF-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO c1nc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c[nH]1 ZINC000639776234 356717957 /nfs/dbraw/zinc/71/79/57/356717957.db2.gz KKGLCJJWJRXJQF-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)[nH]1 ZINC000639776234 356717961 /nfs/dbraw/zinc/71/79/61/356717961.db2.gz KKGLCJJWJRXJQF-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)[nH]1 ZINC000639776234 356717965 /nfs/dbraw/zinc/71/79/65/356717965.db2.gz KKGLCJJWJRXJQF-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ccc(F)s2)C1 ZINC000613654418 363565664 /nfs/dbraw/zinc/56/56/64/363565664.db2.gz AQMLPDJIADWFCB-UHFFFAOYSA-N 1 2 242.319 1.710 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](OC)C2)cs1 ZINC000353874649 356723409 /nfs/dbraw/zinc/72/34/09/356723409.db2.gz YGDQUTTYJDUAMN-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](OC)C2)cs1 ZINC000353874649 356723413 /nfs/dbraw/zinc/72/34/13/356723413.db2.gz YGDQUTTYJDUAMN-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)CO ZINC000121207469 491102185 /nfs/dbraw/zinc/10/21/85/491102185.db2.gz VADMUSPLXLDNKN-UHFFFAOYSA-N 1 2 237.303 1.530 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OCC ZINC000384772594 356745186 /nfs/dbraw/zinc/74/51/86/356745186.db2.gz PIHMDBLMSQAJGM-WHOHXGKFSA-N 1 2 243.347 1.874 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000623344512 356747736 /nfs/dbraw/zinc/74/77/36/356747736.db2.gz PTUPMDTVSMEERX-UHFFFAOYSA-N 1 2 244.241 1.605 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000639798528 356759434 /nfs/dbraw/zinc/75/94/34/356759434.db2.gz HJGJVPJWADQZKV-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000639798528 356759436 /nfs/dbraw/zinc/75/94/36/356759436.db2.gz HJGJVPJWADQZKV-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)on1 ZINC000639840596 356835520 /nfs/dbraw/zinc/83/55/20/356835520.db2.gz ONMMDVYFAORJLX-NSHDSACASA-N 1 2 230.271 1.802 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]2c2ncccn2)on1 ZINC000639840596 356835522 /nfs/dbraw/zinc/83/55/22/356835522.db2.gz ONMMDVYFAORJLX-NSHDSACASA-N 1 2 230.271 1.802 20 0 BDADLO COC1(c2noc(C[NH+](C)C)n2)CCC1 ZINC000350657384 538681909 /nfs/dbraw/zinc/68/19/09/538681909.db2.gz JPUINHPLYXQYGO-UHFFFAOYSA-N 1 2 211.265 1.157 20 0 BDADLO CO[C@H]1C[N@H+](Cc2sc(C)nc2C)CCO1 ZINC000639839255 356833623 /nfs/dbraw/zinc/83/36/23/356833623.db2.gz QOLHPHLINIBGPY-LLVKDONJSA-N 1 2 242.344 1.565 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2sc(C)nc2C)CCO1 ZINC000639839255 356833624 /nfs/dbraw/zinc/83/36/24/356833624.db2.gz QOLHPHLINIBGPY-LLVKDONJSA-N 1 2 242.344 1.565 20 0 BDADLO CO[C@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000639833353 356818913 /nfs/dbraw/zinc/81/89/13/356818913.db2.gz HADVQMPLQSSSQP-CYBMUJFWSA-N 1 2 237.299 1.370 20 0 BDADLO CO[C@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000639833353 356818918 /nfs/dbraw/zinc/81/89/18/356818918.db2.gz HADVQMPLQSSSQP-CYBMUJFWSA-N 1 2 237.299 1.370 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000639836538 356822154 /nfs/dbraw/zinc/82/21/54/356822154.db2.gz IHSRTGSQWPJMRS-STQMWFEESA-N 1 2 243.347 1.232 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000639836538 356822160 /nfs/dbraw/zinc/82/21/60/356822160.db2.gz IHSRTGSQWPJMRS-STQMWFEESA-N 1 2 243.347 1.232 20 0 BDADLO CO[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000639836848 356823795 /nfs/dbraw/zinc/82/37/95/356823795.db2.gz HOGDJQAWJNJQSN-SSDOTTSWSA-N 1 2 213.199 1.244 20 0 BDADLO CO[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000639836848 356823797 /nfs/dbraw/zinc/82/37/97/356823797.db2.gz HOGDJQAWJNJQSN-SSDOTTSWSA-N 1 2 213.199 1.244 20 0 BDADLO CO[C@@H]1C[N@H+](CCc2c(C)noc2C)CCO1 ZINC000639834782 356824485 /nfs/dbraw/zinc/82/44/85/356824485.db2.gz RURQNYFLJNTMLV-LBPRGKRZSA-N 1 2 240.303 1.139 20 0 BDADLO CO[C@@H]1C[N@@H+](CCc2c(C)noc2C)CCO1 ZINC000639834782 356824488 /nfs/dbraw/zinc/82/44/88/356824488.db2.gz RURQNYFLJNTMLV-LBPRGKRZSA-N 1 2 240.303 1.139 20 0 BDADLO CC(=O)C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000639861397 356867574 /nfs/dbraw/zinc/86/75/74/356867574.db2.gz SFKQECBWXDIAQW-JTQLQIEISA-N 1 2 211.305 1.609 20 0 BDADLO CC(=O)C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000639861397 356867577 /nfs/dbraw/zinc/86/75/77/356867577.db2.gz SFKQECBWXDIAQW-JTQLQIEISA-N 1 2 211.305 1.609 20 0 BDADLO CC[N@H+](Cc1ccn(C)c1)Cc1cn(C)nn1 ZINC000359297574 356887046 /nfs/dbraw/zinc/88/70/46/356887046.db2.gz PXMQDGMDALBBOW-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[N@@H+](Cc1ccn(C)c1)Cc1cn(C)nn1 ZINC000359297574 356887049 /nfs/dbraw/zinc/88/70/49/356887049.db2.gz PXMQDGMDALBBOW-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[N@H+](Cc1ccsc1)Cc1cn(C)nn1 ZINC000359294500 356887152 /nfs/dbraw/zinc/88/71/52/356887152.db2.gz GMMOTLMBUMREKK-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@@H+](Cc1ccsc1)Cc1cn(C)nn1 ZINC000359294500 356887154 /nfs/dbraw/zinc/88/71/54/356887154.db2.gz GMMOTLMBUMREKK-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC1=C(C)CN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000281964953 538719011 /nfs/dbraw/zinc/71/90/11/538719011.db2.gz YALFXLLYQUWGEO-UHFFFAOYSA-N 1 2 233.315 1.911 20 0 BDADLO CC1=C(C)CN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000281964953 538719016 /nfs/dbraw/zinc/71/90/16/538719016.db2.gz YALFXLLYQUWGEO-UHFFFAOYSA-N 1 2 233.315 1.911 20 0 BDADLO CC[N@H+](Cc1ncc(C)n1C)[C@H]1CCOC1 ZINC000361254607 356923217 /nfs/dbraw/zinc/92/32/17/356923217.db2.gz ZRNBBNSIDLFNCG-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CC[N@@H+](Cc1ncc(C)n1C)[C@H]1CCOC1 ZINC000361254607 356923221 /nfs/dbraw/zinc/92/32/21/356923221.db2.gz ZRNBBNSIDLFNCG-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CCN(Cc1[nH+]cc(C)n1C)[C@H]1CCOC1 ZINC000361254607 356923224 /nfs/dbraw/zinc/92/32/24/356923224.db2.gz ZRNBBNSIDLFNCG-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cc(NCCCC2CCOCC2)nc[nH+]1 ZINC000450563868 202199815 /nfs/dbraw/zinc/19/98/15/202199815.db2.gz XKICCOSISAAHAK-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CCc1nc(C[N@H+](C(C)C)[C@H]2CCOC2)no1 ZINC000361405168 356929543 /nfs/dbraw/zinc/92/95/43/356929543.db2.gz WTVUSVJZTOVDLS-JTQLQIEISA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@@H+](C(C)C)[C@H]2CCOC2)no1 ZINC000361405168 356929547 /nfs/dbraw/zinc/92/95/47/356929547.db2.gz WTVUSVJZTOVDLS-JTQLQIEISA-N 1 2 239.319 1.631 20 0 BDADLO CC[N@H+](Cc1ncccn1)[C@@H]1CCOC1 ZINC000361589309 356934555 /nfs/dbraw/zinc/93/45/55/356934555.db2.gz OXCIFJXAKRTDKF-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO CC[N@@H+](Cc1ncccn1)[C@@H]1CCOC1 ZINC000361589309 356934558 /nfs/dbraw/zinc/93/45/58/356934558.db2.gz OXCIFJXAKRTDKF-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO CNc1nc(NCC[C@H](C)F)[nH+]c2ccccc21 ZINC000450544435 202194230 /nfs/dbraw/zinc/19/42/30/202194230.db2.gz OUALWYOSQRUWKV-VIFPVBQESA-N 1 2 248.305 1.675 20 0 BDADLO COc1ncccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000353433475 538742839 /nfs/dbraw/zinc/74/28/39/538742839.db2.gz GJIXOPFTQHDZDP-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCOC(C)(C)C2)[nH]1 ZINC000368924317 356980120 /nfs/dbraw/zinc/98/01/20/356980120.db2.gz KCSSBYOWZAFWII-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+]2CCCOC(C)(C)C2)[nH]1 ZINC000368924317 356980122 /nfs/dbraw/zinc/98/01/22/356980122.db2.gz KCSSBYOWZAFWII-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cncnc2)n1 ZINC000353751278 538767882 /nfs/dbraw/zinc/76/78/82/538767882.db2.gz XNPYBHYEGNVZBO-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cncnc2)n1 ZINC000353751278 538767884 /nfs/dbraw/zinc/76/78/84/538767884.db2.gz XNPYBHYEGNVZBO-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CCC(F)(F)CNC(=O)Nc1cc[nH+]cc1C ZINC000626468476 357005620 /nfs/dbraw/zinc/00/56/20/357005620.db2.gz HKTWDNAGHCWVTC-UHFFFAOYSA-N 1 2 243.257 1.979 20 0 BDADLO Cc1c(F)cccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000399696508 357014234 /nfs/dbraw/zinc/01/42/34/357014234.db2.gz IHKIQECKYWYFQT-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)CCS1 ZINC000390587760 357102398 /nfs/dbraw/zinc/10/23/98/357102398.db2.gz RJJOPLMHXPVDEI-VXGBXAGGSA-N 1 2 246.420 1.126 20 0 BDADLO CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)CCS1 ZINC000390587760 357102402 /nfs/dbraw/zinc/10/24/02/357102402.db2.gz RJJOPLMHXPVDEI-VXGBXAGGSA-N 1 2 246.420 1.126 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CCCO2)[nH+]1 ZINC000582365854 357107640 /nfs/dbraw/zinc/10/76/40/357107640.db2.gz PBHFEVXWFARJRI-VIFPVBQESA-N 1 2 237.303 1.248 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000355257830 538791845 /nfs/dbraw/zinc/79/18/45/538791845.db2.gz UEEDWRSFMFSAOO-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)COc1ccccc1 ZINC000355260667 538792471 /nfs/dbraw/zinc/79/24/71/538792471.db2.gz YKRORWNGMHAJNO-UHFFFAOYSA-N 1 2 245.282 1.115 20 0 BDADLO C[C@H]1C[NH+](Cc2ccc(N(C)C)nc2)C[C@H](C)O1 ZINC000156572922 538787748 /nfs/dbraw/zinc/78/77/48/538787748.db2.gz GVNHCTIWXJTKGF-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376693175 357214063 /nfs/dbraw/zinc/21/40/63/357214063.db2.gz FAMFYWCAWPLFPI-JTQLQIEISA-N 1 2 221.304 1.218 20 0 BDADLO Cc1nc(N2CCC[C@@H](C(C)(C)C)C2)nc(N)[nH+]1 ZINC000631259506 357235895 /nfs/dbraw/zinc/23/58/95/357235895.db2.gz UUURDSSGCZCGFY-SNVBAGLBSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](C(C)(C)C)C2)[nH+]1 ZINC000631259506 357235902 /nfs/dbraw/zinc/23/59/02/357235902.db2.gz UUURDSSGCZCGFY-SNVBAGLBSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CCCO3)o1 ZINC000628426685 357255015 /nfs/dbraw/zinc/25/50/15/357255015.db2.gz FYDMSESFXVEFEH-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1ccc(O)c(C[NH+]2CC3(C2)CCCO3)n1 ZINC000628427257 357256804 /nfs/dbraw/zinc/25/68/04/357256804.db2.gz PQOMXCXPLYTWCQ-UHFFFAOYSA-N 1 2 234.299 1.460 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCCO3)nc2c1CCC2 ZINC000628427569 357258378 /nfs/dbraw/zinc/25/83/78/357258378.db2.gz KPUGSIHDUTUDPT-UHFFFAOYSA-N 1 2 244.338 1.935 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](CO)CC1 ZINC000584361394 357327375 /nfs/dbraw/zinc/32/73/75/357327375.db2.gz ONONCPZSWBIEIY-LBPRGKRZSA-N 1 2 235.331 1.692 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC1(C)C ZINC000357429839 538828180 /nfs/dbraw/zinc/82/81/80/538828180.db2.gz ZLCQKGXLWGBTPX-SNVBAGLBSA-N 1 2 221.304 1.599 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC1(C)C ZINC000357429839 538828186 /nfs/dbraw/zinc/82/81/86/538828186.db2.gz ZLCQKGXLWGBTPX-SNVBAGLBSA-N 1 2 221.304 1.599 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1noc(C(C)(C)C)n1 ZINC000582642363 357351969 /nfs/dbraw/zinc/35/19/69/357351969.db2.gz NZZQODUCYRIEJN-UHFFFAOYSA-N 1 2 235.291 1.727 20 0 BDADLO CC[N@H+](CC(=O)NC1CC1)Cc1ccoc1 ZINC000102408914 357388878 /nfs/dbraw/zinc/38/88/78/357388878.db2.gz UBTXOINQNSYOEQ-UHFFFAOYSA-N 1 2 222.288 1.380 20 0 BDADLO CC[N@@H+](CC(=O)NC1CC1)Cc1ccoc1 ZINC000102408914 357388883 /nfs/dbraw/zinc/38/88/83/357388883.db2.gz UBTXOINQNSYOEQ-UHFFFAOYSA-N 1 2 222.288 1.380 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000582781058 357390699 /nfs/dbraw/zinc/39/06/99/357390699.db2.gz QYOSPWWTCYOXCG-SCSAIBSYSA-N 1 2 207.142 1.154 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613270419 357402534 /nfs/dbraw/zinc/40/25/34/357402534.db2.gz MEJRNZGDWCVHKU-GXFFZTMASA-N 1 2 247.342 1.772 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613270419 357402535 /nfs/dbraw/zinc/40/25/35/357402535.db2.gz MEJRNZGDWCVHKU-GXFFZTMASA-N 1 2 247.342 1.772 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCNC(=O)CC1 ZINC000396625819 357482492 /nfs/dbraw/zinc/48/24/92/357482492.db2.gz CDNCZDJJGCQPMR-VIFPVBQESA-N 1 2 235.287 1.171 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@](C)(O)CC2)no1 ZINC000230376510 357531217 /nfs/dbraw/zinc/53/12/17/357531217.db2.gz TWFVJLXBWJWCID-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@](C)(O)CC2)no1 ZINC000230376510 357531220 /nfs/dbraw/zinc/53/12/20/357531220.db2.gz TWFVJLXBWJWCID-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1cccnc1 ZINC000189820525 357673489 /nfs/dbraw/zinc/67/34/89/357673489.db2.gz NUYWYFHKXQILSU-BDAKNGLRSA-N 1 2 232.291 1.017 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1ncccn1 ZINC000192127978 357824149 /nfs/dbraw/zinc/82/41/49/357824149.db2.gz MSLDRAOGIRHCOF-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1ncccn1 ZINC000192127978 357824152 /nfs/dbraw/zinc/82/41/52/357824152.db2.gz MSLDRAOGIRHCOF-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO CCC1CCC([NH2+][C@@H](C(=O)OC)[C@@H](C)O)CC1 ZINC000191962890 357807300 /nfs/dbraw/zinc/80/73/00/357807300.db2.gz FJKKSWFBDIKSEU-HBIQZDMRSA-N 1 2 243.347 1.467 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](C)C[C@H](C)O ZINC000397882760 357781257 /nfs/dbraw/zinc/78/12/57/357781257.db2.gz ORJBAPJEHGUUKE-UWVGGRQHSA-N 1 2 224.304 1.909 20 0 BDADLO CCN(C)c1ccc(CNc2nnc(C)o2)c[nH+]1 ZINC000191512714 357783619 /nfs/dbraw/zinc/78/36/19/357783619.db2.gz JWWVVYGFXLGMQA-UHFFFAOYSA-N 1 2 247.302 1.841 20 0 BDADLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(F)cc1 ZINC000235211481 357857756 /nfs/dbraw/zinc/85/77/56/357857756.db2.gz JLDPUDRMTICOFO-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO COc1ncccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000193292196 357873393 /nfs/dbraw/zinc/87/33/93/357873393.db2.gz YJKNGWSBGYKCDU-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ncccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000193292196 357873394 /nfs/dbraw/zinc/87/33/94/357873394.db2.gz YJKNGWSBGYKCDU-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO C[C@]1(F)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000584392338 357884092 /nfs/dbraw/zinc/88/40/92/357884092.db2.gz GVNAYHSDNSOBHT-NSHDSACASA-N 1 2 225.267 1.234 20 0 BDADLO CC[C@]1(C)CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000399383022 357905917 /nfs/dbraw/zinc/90/59/17/357905917.db2.gz GDYMMOVEEXXYSJ-GFCCVEGCSA-N 1 2 236.319 1.694 20 0 BDADLO CC[C@]1(C)CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000399383022 357905919 /nfs/dbraw/zinc/90/59/19/357905919.db2.gz GDYMMOVEEXXYSJ-GFCCVEGCSA-N 1 2 236.319 1.694 20 0 BDADLO COC(=O)CSCc1cn2ccccc2[nH+]1 ZINC000102910609 357948732 /nfs/dbraw/zinc/94/87/32/357948732.db2.gz FTDGSLJLJLNUOF-UHFFFAOYSA-N 1 2 236.296 1.741 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000639967224 358021084 /nfs/dbraw/zinc/02/10/84/358021084.db2.gz IHDCSQHGFOSWFO-JTQLQIEISA-N 1 2 238.335 1.065 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000639967224 358021085 /nfs/dbraw/zinc/02/10/85/358021085.db2.gz IHDCSQHGFOSWFO-JTQLQIEISA-N 1 2 238.335 1.065 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000075721659 325308138 /nfs/dbraw/zinc/30/81/38/325308138.db2.gz CURQIRIMDDXHCM-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000075721659 325308139 /nfs/dbraw/zinc/30/81/39/325308139.db2.gz CURQIRIMDDXHCM-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2c[nH]nc2C)c1 ZINC000639970364 358022580 /nfs/dbraw/zinc/02/25/80/358022580.db2.gz FDCASTLMUPNWTN-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2c[nH]nc2C)c1 ZINC000639970364 358022581 /nfs/dbraw/zinc/02/25/81/358022581.db2.gz FDCASTLMUPNWTN-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639971496 358029985 /nfs/dbraw/zinc/02/99/85/358029985.db2.gz DUGNRYQJIDVOPO-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639971496 358029990 /nfs/dbraw/zinc/02/99/90/358029990.db2.gz DUGNRYQJIDVOPO-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(CO)cc1 ZINC000639971671 358031825 /nfs/dbraw/zinc/03/18/25/358031825.db2.gz UMEFCCNDQDKFMN-UHFFFAOYSA-N 1 2 245.326 1.842 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(CO)cc1 ZINC000639971671 358031830 /nfs/dbraw/zinc/03/18/30/358031830.db2.gz UMEFCCNDQDKFMN-UHFFFAOYSA-N 1 2 245.326 1.842 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1[nH]cc[nH+]1 ZINC000221213552 358069727 /nfs/dbraw/zinc/06/97/27/358069727.db2.gz QREBACKHAGQTEJ-HLTSFMKQSA-N 1 2 223.276 1.012 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)c1ccccc1F ZINC000085192011 134248011 /nfs/dbraw/zinc/24/80/11/134248011.db2.gz XGTPXLRASJCYNA-INIZCTEOSA-N 1 2 238.287 1.867 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@H](CC)C1 ZINC000076071919 325328118 /nfs/dbraw/zinc/32/81/18/325328118.db2.gz MQZPCZQNCXNYGL-SECBINFHSA-N 1 2 217.334 1.377 20 0 BDADLO CC[C@H](NC(=O)c1cncnc1)c1[nH]cc[nH+]1 ZINC000218079365 134251649 /nfs/dbraw/zinc/25/16/49/134251649.db2.gz DRPJTUTWPIDHHR-VIFPVBQESA-N 1 2 231.259 1.081 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@H](CC)C1 ZINC000076071919 325328117 /nfs/dbraw/zinc/32/81/17/325328117.db2.gz MQZPCZQNCXNYGL-SECBINFHSA-N 1 2 217.334 1.377 20 0 BDADLO c1snnc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000628463220 358118278 /nfs/dbraw/zinc/11/82/78/358118278.db2.gz WOBYWANWPPPNPE-PSASIEDQSA-N 1 2 225.317 1.195 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000640035231 358125102 /nfs/dbraw/zinc/12/51/02/358125102.db2.gz IQROWDQXFQTJIC-BXKDBHETSA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@@]1(O)CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000640035231 358125106 /nfs/dbraw/zinc/12/51/06/358125106.db2.gz IQROWDQXFQTJIC-BXKDBHETSA-N 1 2 239.319 1.676 20 0 BDADLO O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1noc(C3CC3)n1)C2 ZINC000640079363 358181276 /nfs/dbraw/zinc/18/12/76/358181276.db2.gz XCHWYLHFTOSQOT-MIMYLULJSA-N 1 2 249.314 1.292 20 0 BDADLO O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1noc(C3CC3)n1)C2 ZINC000640079363 358181278 /nfs/dbraw/zinc/18/12/78/358181278.db2.gz XCHWYLHFTOSQOT-MIMYLULJSA-N 1 2 249.314 1.292 20 0 BDADLO NC(=O)[C@H]1COCC[N@@H+]1CCC1=CCCCC1 ZINC000450658166 202228644 /nfs/dbraw/zinc/22/86/44/202228644.db2.gz ZUHNQUZGSNGKSJ-GFCCVEGCSA-N 1 2 238.331 1.063 20 0 BDADLO NC(=O)[C@H]1COCC[N@H+]1CCC1=CCCCC1 ZINC000450658166 202228648 /nfs/dbraw/zinc/22/86/48/202228648.db2.gz ZUHNQUZGSNGKSJ-GFCCVEGCSA-N 1 2 238.331 1.063 20 0 BDADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CC=C(C)C ZINC000610829083 358211205 /nfs/dbraw/zinc/21/12/05/358211205.db2.gz RRXZWRDUERFXTQ-GFCCVEGCSA-N 1 2 243.347 1.851 20 0 BDADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CC=C(C)C ZINC000610829083 358211208 /nfs/dbraw/zinc/21/12/08/358211208.db2.gz RRXZWRDUERFXTQ-GFCCVEGCSA-N 1 2 243.347 1.851 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000172014353 134264195 /nfs/dbraw/zinc/26/41/95/134264195.db2.gz LZOPWHZPVJLCHH-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000172014353 134264196 /nfs/dbraw/zinc/26/41/96/134264196.db2.gz LZOPWHZPVJLCHH-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000450728367 202248055 /nfs/dbraw/zinc/24/80/55/202248055.db2.gz KWDRTAHWFAZRQX-BCMRRPTOSA-N 1 2 242.344 1.516 20 0 BDADLO CCCc1nc(C[NH2+][C@H](C)[C@@H](C)CO)no1 ZINC000450731781 202248988 /nfs/dbraw/zinc/24/89/88/202248988.db2.gz AOMCPTMVCNYLTH-DTWKUNHWSA-N 1 2 227.308 1.129 20 0 BDADLO CC(C)c1nc(N2CCC[C@H](O)[C@H]2C)cc[nH+]1 ZINC000450709130 202241557 /nfs/dbraw/zinc/24/15/57/202241557.db2.gz AVIKMGXXDMXSFX-MNOVXSKESA-N 1 2 235.331 1.950 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000450726721 202245975 /nfs/dbraw/zinc/24/59/75/202245975.db2.gz WDWGUVXVFKVWOJ-DCAQKATOSA-N 1 2 231.336 1.325 20 0 BDADLO CCN1CC[N@H+](CC2=CCCCC2)CC1=O ZINC000450748226 202254562 /nfs/dbraw/zinc/25/45/62/202254562.db2.gz WETFCXBPYHZPGC-UHFFFAOYSA-N 1 2 222.332 1.651 20 0 BDADLO CCN1CC[N@@H+](CC2=CCCCC2)CC1=O ZINC000450748226 202254565 /nfs/dbraw/zinc/25/45/65/202254565.db2.gz WETFCXBPYHZPGC-UHFFFAOYSA-N 1 2 222.332 1.651 20 0 BDADLO Cc1cc(NC[C@@H](O)c2ccsc2)nc[nH+]1 ZINC000218923519 134268817 /nfs/dbraw/zinc/26/88/17/134268817.db2.gz YHLMXLLBIOJGTI-SNVBAGLBSA-N 1 2 235.312 1.992 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000450773631 202260895 /nfs/dbraw/zinc/26/08/95/202260895.db2.gz BKGDVWWRRBXGJR-JMJZKYOTSA-N 1 2 241.360 1.834 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000450773631 202260897 /nfs/dbraw/zinc/26/08/97/202260897.db2.gz BKGDVWWRRBXGJR-JMJZKYOTSA-N 1 2 241.360 1.834 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000218909366 134270143 /nfs/dbraw/zinc/27/01/43/134270143.db2.gz PUWKEXUNLOWYBK-VHSXEESVSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000218909366 134270144 /nfs/dbraw/zinc/27/01/44/134270144.db2.gz PUWKEXUNLOWYBK-VHSXEESVSA-N 1 2 225.288 1.381 20 0 BDADLO NC(=O)c1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000123714813 181296729 /nfs/dbraw/zinc/29/67/29/181296729.db2.gz UATAYEFILQBFED-UHFFFAOYSA-N 1 2 231.255 1.225 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@@H]1C ZINC000134888290 325381281 /nfs/dbraw/zinc/38/12/81/325381281.db2.gz MVJLBLVHQQPJII-JGVFFNPUSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@@H]1C ZINC000134888290 325381282 /nfs/dbraw/zinc/38/12/82/325381282.db2.gz MVJLBLVHQQPJII-JGVFFNPUSA-N 1 2 222.292 1.668 20 0 BDADLO O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1cc[nH+]c1 ZINC000229212784 358366127 /nfs/dbraw/zinc/36/61/27/358366127.db2.gz RHTBWZCWNHEQJG-WOPDTQHZSA-N 1 2 249.314 1.068 20 0 BDADLO O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1cc[nH+]c1 ZINC000229212784 358366129 /nfs/dbraw/zinc/36/61/29/358366129.db2.gz RHTBWZCWNHEQJG-WOPDTQHZSA-N 1 2 249.314 1.068 20 0 BDADLO COC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000230942529 358412883 /nfs/dbraw/zinc/41/28/83/358412883.db2.gz ZKMUWYCVJIXFFB-SSDOTTSWSA-N 1 2 211.265 1.012 20 0 BDADLO CCCCc1noc(C[N@H+](CCO)C2CC2)n1 ZINC000048065307 358613194 /nfs/dbraw/zinc/61/31/94/358613194.db2.gz VTACZOLLVYKCTA-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000048065307 358613198 /nfs/dbraw/zinc/61/31/98/358613198.db2.gz VTACZOLLVYKCTA-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000048128767 358616644 /nfs/dbraw/zinc/61/66/44/358616644.db2.gz KXJREGQRUPSAAJ-BDAKNGLRSA-N 1 2 227.333 1.139 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOCC12CCC2 ZINC000130366151 358621426 /nfs/dbraw/zinc/62/14/26/358621426.db2.gz LAEKSXHCBQYKAJ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1nccc1C[N@H+]1CCOCC12CCC2 ZINC000130366151 358621430 /nfs/dbraw/zinc/62/14/30/358621430.db2.gz LAEKSXHCBQYKAJ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000130676936 358639726 /nfs/dbraw/zinc/63/97/26/358639726.db2.gz LDXIJRAXIZBQBZ-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000130676936 358639728 /nfs/dbraw/zinc/63/97/28/358639728.db2.gz LDXIJRAXIZBQBZ-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO CNC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000049856662 358703378 /nfs/dbraw/zinc/70/33/78/358703378.db2.gz KPCFOZWGPGIKMH-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cc[nH]n1 ZINC000048990531 358664931 /nfs/dbraw/zinc/66/49/31/358664931.db2.gz MVVXXVJEZWIXHK-UHFFFAOYSA-N 1 2 231.259 1.123 20 0 BDADLO Cc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)on1 ZINC000049316063 358682245 /nfs/dbraw/zinc/68/22/45/358682245.db2.gz QJRGLAMMJRWPOY-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000049371024 358684192 /nfs/dbraw/zinc/68/41/92/358684192.db2.gz DSODNJVYQAQNCC-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(F)cn1 ZINC000049509233 358693368 /nfs/dbraw/zinc/69/33/68/358693368.db2.gz UNQDQMJPQSVRHA-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000051838893 358765531 /nfs/dbraw/zinc/76/55/31/358765531.db2.gz GYMCJFZSVWTMSY-VIFPVBQESA-N 1 2 227.308 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000051838893 358765535 /nfs/dbraw/zinc/76/55/35/358765535.db2.gz GYMCJFZSVWTMSY-VIFPVBQESA-N 1 2 227.308 1.081 20 0 BDADLO CCC1CCC([NH2+]CCOC)(C(=O)OC)CC1 ZINC000053258173 358820504 /nfs/dbraw/zinc/82/05/04/358820504.db2.gz SYPDOJPLLWHDFA-UHFFFAOYSA-N 1 2 243.347 1.734 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000613675820 363618046 /nfs/dbraw/zinc/61/80/46/363618046.db2.gz SIIXMLHYWUZZRZ-MNOVXSKESA-N 1 2 247.342 1.750 20 0 BDADLO O=C(CC[C@@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000134491559 358791576 /nfs/dbraw/zinc/79/15/76/358791576.db2.gz QTKQITWLIHKOJW-JTQLQIEISA-N 1 2 237.303 1.028 20 0 BDADLO c1ccc(C[N@@H+]2CCOCC23CCC3)nc1 ZINC000135495021 358840700 /nfs/dbraw/zinc/84/07/00/358840700.db2.gz GRZARUVYGFAVBN-UHFFFAOYSA-N 1 2 218.300 1.837 20 0 BDADLO c1ccc(C[N@H+]2CCOCC23CCC3)nc1 ZINC000135495021 358840704 /nfs/dbraw/zinc/84/07/04/358840704.db2.gz GRZARUVYGFAVBN-UHFFFAOYSA-N 1 2 218.300 1.837 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1CC1CCCCC1 ZINC000135545933 358843997 /nfs/dbraw/zinc/84/39/97/358843997.db2.gz IUZKBLXOCSQJAP-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1CC1CCCCC1 ZINC000135545933 358844002 /nfs/dbraw/zinc/84/40/02/358844002.db2.gz IUZKBLXOCSQJAP-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@H](C)C1 ZINC000054172572 358854937 /nfs/dbraw/zinc/85/49/37/358854937.db2.gz SYXAVTLXIVJRJT-ZJUUUORDSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@H](C)C1 ZINC000054172572 358854939 /nfs/dbraw/zinc/85/49/39/358854939.db2.gz SYXAVTLXIVJRJT-ZJUUUORDSA-N 1 2 228.336 1.010 20 0 BDADLO CCCNC(=O)CCNc1cc[nH+]c(C)n1 ZINC000054936406 358879141 /nfs/dbraw/zinc/87/91/41/358879141.db2.gz MMENCXYGYAOBSA-UHFFFAOYSA-N 1 2 222.292 1.113 20 0 BDADLO C[NH+](C)Cc1nnc(C(C)(Cl)Cl)o1 ZINC000306165630 358974217 /nfs/dbraw/zinc/97/42/17/358974217.db2.gz UKIQMGVZAUWEGD-UHFFFAOYSA-N 1 2 224.091 1.782 20 0 BDADLO CC[C@H](NC(=O)c1ccc[nH]c1=O)c1[nH]cc[nH+]1 ZINC000140461137 358922332 /nfs/dbraw/zinc/92/23/32/358922332.db2.gz JWZPRRXZDHBECT-VIFPVBQESA-N 1 2 246.270 1.391 20 0 BDADLO CC[C@H](NC(=O)c1ccc(C)nc1)c1[nH]cc[nH+]1 ZINC000140458105 358922435 /nfs/dbraw/zinc/92/24/35/358922435.db2.gz WLWWNVPIZCRCGK-NSHDSACASA-N 1 2 244.298 1.994 20 0 BDADLO CC[C@H](NC(=O)C[C@@H](C)COC)c1[nH]cc[nH+]1 ZINC000140522157 358922525 /nfs/dbraw/zinc/92/25/25/358922525.db2.gz FSMFEDMCOXKEEO-ZJUUUORDSA-N 1 2 239.319 1.650 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH]nc1C)c1[nH]cc[nH+]1 ZINC000140457929 358922585 /nfs/dbraw/zinc/92/25/85/358922585.db2.gz WUDGDFXSZCSJCZ-SECBINFHSA-N 1 2 233.275 1.322 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)n1cccn1)c1[nH]cc[nH+]1 ZINC000140635960 358923644 /nfs/dbraw/zinc/92/36/44/358923644.db2.gz HWOGXMUUSOKOEE-UWVGGRQHSA-N 1 2 247.302 1.435 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N1OC2CCC1CC2 ZINC000640230967 358944264 /nfs/dbraw/zinc/94/42/64/358944264.db2.gz XGWLLZHGQVQAHJ-HIFPTAJRSA-N 1 2 240.347 1.266 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC(C)C1)CC2 ZINC000626670042 359025634 /nfs/dbraw/zinc/02/56/34/359025634.db2.gz MHZKSZMCRDPKDH-LLVKDONJSA-N 1 2 233.315 1.232 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccc(F)cc1 ZINC000070979163 359067783 /nfs/dbraw/zinc/06/77/83/359067783.db2.gz RAYMJVKZSPCQSG-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO CCc1noc(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979441 359068884 /nfs/dbraw/zinc/06/88/84/359068884.db2.gz QZTMRTFBHUOBDJ-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)o1 ZINC000070980793 359068933 /nfs/dbraw/zinc/06/89/33/359068933.db2.gz RPYIYDAFNPTPCL-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cc1ccc(O)c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000071030738 359070128 /nfs/dbraw/zinc/07/01/28/359070128.db2.gz HSHQMKWHACSTEY-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccncc1 ZINC000072972324 359094319 /nfs/dbraw/zinc/09/43/19/359094319.db2.gz YCDFGLJDBONVIV-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000072972324 359094321 /nfs/dbraw/zinc/09/43/21/359094321.db2.gz YCDFGLJDBONVIV-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871929 359106754 /nfs/dbraw/zinc/10/67/54/359106754.db2.gz CKSYKYUXZAVPLN-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871929 359106759 /nfs/dbraw/zinc/10/67/59/359106759.db2.gz CKSYKYUXZAVPLN-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871953 359106823 /nfs/dbraw/zinc/10/68/23/359106823.db2.gz OHZXUXUWCCNDMN-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871953 359106828 /nfs/dbraw/zinc/10/68/28/359106828.db2.gz OHZXUXUWCCNDMN-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1nn(C)c(C)c1N[C@@H](C)c1[nH+]ccn1C ZINC000070443610 359054096 /nfs/dbraw/zinc/05/40/96/359054096.db2.gz JDWWXSVNQORPMY-VIFPVBQESA-N 1 2 233.319 1.944 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1C=CCC1 ZINC000070650735 359060658 /nfs/dbraw/zinc/06/06/58/359060658.db2.gz VDDJIRPAWTZQRY-SNVBAGLBSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1cccs1 ZINC000070650744 359061569 /nfs/dbraw/zinc/06/15/69/359061569.db2.gz DJJZLNKCKAXARD-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO c1coc([C@@H]2C[N@H+](C[C@H]3CCCO3)CCO2)c1 ZINC000246980338 359180082 /nfs/dbraw/zinc/18/00/82/359180082.db2.gz PUSITWPDASPYPP-YPMHNXCESA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)c1 ZINC000246980338 359180085 /nfs/dbraw/zinc/18/00/85/359180085.db2.gz PUSITWPDASPYPP-YPMHNXCESA-N 1 2 237.299 1.832 20 0 BDADLO Cc1cc(NC(=O)c2cccn(C)c2=O)cc[nH+]1 ZINC000074706271 359125216 /nfs/dbraw/zinc/12/52/16/359125216.db2.gz JMXIEMIAAAJZIW-UHFFFAOYSA-N 1 2 243.266 1.341 20 0 BDADLO CCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828203 359130851 /nfs/dbraw/zinc/13/08/51/359130851.db2.gz DUEYLOUMRLOSFT-UHFFFAOYSA-N 1 2 221.304 1.916 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000247498602 359227273 /nfs/dbraw/zinc/22/72/73/359227273.db2.gz HUPLQAYICYIRNX-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000247498602 359227275 /nfs/dbraw/zinc/22/72/75/359227275.db2.gz HUPLQAYICYIRNX-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247730291 359243210 /nfs/dbraw/zinc/24/32/10/359243210.db2.gz VCDFTGCSIWBNBD-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247730291 359243214 /nfs/dbraw/zinc/24/32/14/359243214.db2.gz VCDFTGCSIWBNBD-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000248250898 359260201 /nfs/dbraw/zinc/26/02/01/359260201.db2.gz IVXIMRGRYKKNLT-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000248250898 359260204 /nfs/dbraw/zinc/26/02/04/359260204.db2.gz IVXIMRGRYKKNLT-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247340822 359213313 /nfs/dbraw/zinc/21/33/13/359213313.db2.gz GRLBWWKJDQUKCG-FVCCEPFGSA-N 1 2 247.342 1.949 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC(F)(F)F ZINC000077312244 359297909 /nfs/dbraw/zinc/29/79/09/359297909.db2.gz OWIAGQZNQFHBAU-ZETCQYMHSA-N 1 2 247.282 1.304 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCC(F)(F)F ZINC000077312244 359297910 /nfs/dbraw/zinc/29/79/10/359297910.db2.gz OWIAGQZNQFHBAU-ZETCQYMHSA-N 1 2 247.282 1.304 20 0 BDADLO C[C@H](F)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633276780 359274250 /nfs/dbraw/zinc/27/42/50/359274250.db2.gz JSTVDHLLJWLZCD-QMMMGPOBSA-N 1 2 228.271 1.299 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000611916525 359482175 /nfs/dbraw/zinc/48/21/75/359482175.db2.gz SOQYOXRRHBXHMD-SECBINFHSA-N 1 2 233.315 1.431 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000611916525 359482178 /nfs/dbraw/zinc/48/21/78/359482178.db2.gz SOQYOXRRHBXHMD-SECBINFHSA-N 1 2 233.315 1.431 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000308968740 491141194 /nfs/dbraw/zinc/14/11/94/491141194.db2.gz XRGOIQDZXDBLMS-WEDXCCLWSA-N 1 2 211.309 1.792 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCO[C@H](C)C1 ZINC000054172438 359597725 /nfs/dbraw/zinc/59/77/25/359597725.db2.gz ARMBBYSUIRUTAC-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCO[C@H](C)C1 ZINC000054172438 359597728 /nfs/dbraw/zinc/59/77/28/359597728.db2.gz ARMBBYSUIRUTAC-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CCc1cc(NC[C@@H](CC)OC)nc[nH+]1 ZINC000308998272 491142118 /nfs/dbraw/zinc/14/21/18/491142118.db2.gz QNBHVYMTMOFTIV-SNVBAGLBSA-N 1 2 209.293 1.876 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000057214587 359668892 /nfs/dbraw/zinc/66/88/92/359668892.db2.gz GXFCGNALIVEDAI-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000403328681 359729433 /nfs/dbraw/zinc/72/94/33/359729433.db2.gz AEBCCGHOLXRDFM-IWSPIJDZSA-N 1 2 207.277 1.693 20 0 BDADLO CC[C@@H](O)[C@@H](CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000450853548 202288960 /nfs/dbraw/zinc/28/89/60/202288960.db2.gz BJCXZSYMPHICHC-GHMZBOCLSA-N 1 2 237.347 1.983 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000450923023 202305711 /nfs/dbraw/zinc/30/57/11/202305711.db2.gz BTPJZAQRFWJOTP-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)CC[N@H+]1CCCC[C@H]1C(F)F ZINC000450923023 202305714 /nfs/dbraw/zinc/30/57/14/202305714.db2.gz BTPJZAQRFWJOTP-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@](C)(OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000578390165 366549400 /nfs/dbraw/zinc/54/94/00/366549400.db2.gz FCVOXUDNIGLDEX-CYBMUJFWSA-N 1 2 236.315 1.874 20 0 BDADLO CC[C@H](NC(=O)[C@@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000450927483 202313143 /nfs/dbraw/zinc/31/31/43/202313143.db2.gz CFADZXKHOCLHLQ-UWVGGRQHSA-N 1 2 237.303 1.138 20 0 BDADLO CC(C)c1nc(N2C[C@H](C)C[C@@H](O)C2)cc[nH+]1 ZINC000450939059 202314279 /nfs/dbraw/zinc/31/42/79/202314279.db2.gz JPHKCSDNHFSPOV-GHMZBOCLSA-N 1 2 235.331 1.807 20 0 BDADLO COC[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000450942042 202316234 /nfs/dbraw/zinc/31/62/34/202316234.db2.gz QVAWSZYUGGKZBS-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000578360622 366538820 /nfs/dbraw/zinc/53/88/20/366538820.db2.gz UPPHTCYBPSRHLF-GARJFASQSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(=O)NC ZINC000450944151 202317469 /nfs/dbraw/zinc/31/74/69/202317469.db2.gz RSDKNFSVOZHOTN-SECBINFHSA-N 1 2 247.302 1.203 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450990487 202329829 /nfs/dbraw/zinc/32/98/29/202329829.db2.gz IWMGEBIAFODMQZ-QMMMGPOBSA-N 1 2 241.360 1.882 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450990487 202329831 /nfs/dbraw/zinc/32/98/31/202329831.db2.gz IWMGEBIAFODMQZ-QMMMGPOBSA-N 1 2 241.360 1.882 20 0 BDADLO CC[N@H+](C[C@@H](C)OC)[C@@H](C)c1csnn1 ZINC000451058210 202341704 /nfs/dbraw/zinc/34/17/04/202341704.db2.gz LKXDWZNJUIYWCY-BDAKNGLRSA-N 1 2 229.349 1.956 20 0 BDADLO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)c1csnn1 ZINC000451058210 202341708 /nfs/dbraw/zinc/34/17/08/202341708.db2.gz LKXDWZNJUIYWCY-BDAKNGLRSA-N 1 2 229.349 1.956 20 0 BDADLO F[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000451179410 202367230 /nfs/dbraw/zinc/36/72/30/202367230.db2.gz AOIZHPHUZUNZKX-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO F[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000451179410 202367232 /nfs/dbraw/zinc/36/72/32/202367232.db2.gz AOIZHPHUZUNZKX-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO Cc1ccccc1CC[N@@H+](C)Cc1nnnn1C ZINC000451164300 202367401 /nfs/dbraw/zinc/36/74/01/202367401.db2.gz BIBNPQCUTKRCNG-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1ccccc1CC[N@H+](C)Cc1nnnn1C ZINC000451164300 202367403 /nfs/dbraw/zinc/36/74/03/202367403.db2.gz BIBNPQCUTKRCNG-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)[C@@H](C)O1 ZINC000451173537 202369315 /nfs/dbraw/zinc/36/93/15/202369315.db2.gz ZONDQNIZZORPQA-BWZBUEFSSA-N 1 2 205.248 1.940 20 0 BDADLO Cc1oncc1C[N@@H+](C(C)C)C1COC1 ZINC000451122325 202356935 /nfs/dbraw/zinc/35/69/35/202356935.db2.gz XQRZBTROXZIGAA-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@H+](C(C)C)C1COC1 ZINC000451122325 202356939 /nfs/dbraw/zinc/35/69/39/202356939.db2.gz XQRZBTROXZIGAA-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO CC(C)[N@H+](CC(=O)NC(C)(C)C)C1COC1 ZINC000451119896 202358698 /nfs/dbraw/zinc/35/86/98/202358698.db2.gz HUPUZSSOHJPXME-UHFFFAOYSA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)[N@@H+](CC(=O)NC(C)(C)C)C1COC1 ZINC000451119896 202358699 /nfs/dbraw/zinc/35/86/99/202358699.db2.gz HUPUZSSOHJPXME-UHFFFAOYSA-N 1 2 228.336 1.010 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)NC(C1CC1)C1CC1 ZINC000451190985 202377080 /nfs/dbraw/zinc/37/70/80/202377080.db2.gz HBHDOZJFJVOBGT-NSHDSACASA-N 1 2 240.322 1.335 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)NC(C1CC1)C1CC1 ZINC000451190985 202377084 /nfs/dbraw/zinc/37/70/84/202377084.db2.gz HBHDOZJFJVOBGT-NSHDSACASA-N 1 2 240.322 1.335 20 0 BDADLO CCCc1noc(C[N@H+](C)CC(C)(C)CO)n1 ZINC000451249914 202385282 /nfs/dbraw/zinc/38/52/82/202385282.db2.gz VVUMEIVVDKSYJY-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000451249914 202385286 /nfs/dbraw/zinc/38/52/86/202385286.db2.gz VVUMEIVVDKSYJY-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CC[N@H+](Cc1cnc(OC)nc1C)C1COC1 ZINC000451287676 202396068 /nfs/dbraw/zinc/39/60/68/202396068.db2.gz QUGIHWWVOIBNJE-UHFFFAOYSA-N 1 2 237.303 1.014 20 0 BDADLO CC[N@@H+](Cc1cnc(OC)nc1C)C1COC1 ZINC000451287676 202396072 /nfs/dbraw/zinc/39/60/72/202396072.db2.gz QUGIHWWVOIBNJE-UHFFFAOYSA-N 1 2 237.303 1.014 20 0 BDADLO [NH3+][C@H](c1nc([C@@H]2CCCO2)no1)c1ccccc1 ZINC000087801267 359930588 /nfs/dbraw/zinc/93/05/88/359930588.db2.gz DJNWMJXENXZIHR-QWRGUYRKSA-N 1 2 245.282 1.969 20 0 BDADLO CCCc1nc(C[N@H+](C)CC(C)(C)CO)no1 ZINC000451250447 202386656 /nfs/dbraw/zinc/38/66/56/202386656.db2.gz SCXVJUDKHLZYTR-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CCCc1nc(C[N@@H+](C)CC(C)(C)CO)no1 ZINC000451250447 202386660 /nfs/dbraw/zinc/38/66/60/202386660.db2.gz SCXVJUDKHLZYTR-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC12CC2 ZINC000578620161 366610019 /nfs/dbraw/zinc/61/00/19/366610019.db2.gz TYVIJXWIOWOSMP-MRVPVSSYSA-N 1 2 205.261 1.011 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@H]1C1CC1 ZINC000578722709 366630725 /nfs/dbraw/zinc/63/07/25/366630725.db2.gz OSQZBPDOCNATPF-NSHDSACASA-N 1 2 248.330 1.597 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N1CCCCCC1 ZINC000578765782 366643682 /nfs/dbraw/zinc/64/36/82/366643682.db2.gz OAMJMWWENKPSFY-UHFFFAOYSA-N 1 2 246.318 1.156 20 0 BDADLO Cc1ccc(-c2noc(Cn3cc[nH+]c3)n2)o1 ZINC000578814575 366651247 /nfs/dbraw/zinc/65/12/47/366651247.db2.gz QIIZQQOGFWYGDG-UHFFFAOYSA-N 1 2 230.227 1.883 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C(C)(C)CO ZINC000578880108 366664493 /nfs/dbraw/zinc/66/44/93/366664493.db2.gz FNFPWIMKCMWTML-UHFFFAOYSA-N 1 2 224.260 1.047 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccccc1OC ZINC000088588110 359968393 /nfs/dbraw/zinc/96/83/93/359968393.db2.gz YNORFQAQAXUALF-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCC[N@H+](CCO)Cc1ncnn1CC(C)C ZINC000088619548 359970267 /nfs/dbraw/zinc/97/02/67/359970267.db2.gz JZXVWCBAFMSHON-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CCC[N@@H+](CCO)Cc1ncnn1CC(C)C ZINC000088619548 359970268 /nfs/dbraw/zinc/97/02/68/359970268.db2.gz JZXVWCBAFMSHON-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO O=C(Cc1ccc(F)cc1)NCc1c[nH+]c[nH]1 ZINC000088753574 359974919 /nfs/dbraw/zinc/97/49/19/359974919.db2.gz UAJACFWPYYKLTR-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO O=C(Cc1ccc(F)cc1)NCc1c[nH]c[nH+]1 ZINC000088753574 359974926 /nfs/dbraw/zinc/97/49/26/359974926.db2.gz UAJACFWPYYKLTR-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO Cc1ccc(O)c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088751527 359975321 /nfs/dbraw/zinc/97/53/21/359975321.db2.gz XPJGRZMOSKIBQK-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1ccc(O)c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088751527 359975323 /nfs/dbraw/zinc/97/53/23/359975323.db2.gz XPJGRZMOSKIBQK-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1O ZINC000088751534 359975468 /nfs/dbraw/zinc/97/54/68/359975468.db2.gz SMSBUHZSQIALFT-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1O ZINC000088751534 359975470 /nfs/dbraw/zinc/97/54/70/359975470.db2.gz SMSBUHZSQIALFT-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc2cc[nH]c21 ZINC000088752414 359975871 /nfs/dbraw/zinc/97/58/71/359975871.db2.gz PYNBQIWPJUTOFO-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc2cc[nH]c21 ZINC000088752414 359975874 /nfs/dbraw/zinc/97/58/74/359975874.db2.gz PYNBQIWPJUTOFO-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(CCc1ccccc1O)NCc1c[nH+]c[nH]1 ZINC000088759069 359976086 /nfs/dbraw/zinc/97/60/86/359976086.db2.gz YIXJWJMOHSDVKQ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO O=C(CCc1ccccc1O)NCc1c[nH]c[nH+]1 ZINC000088759069 359976089 /nfs/dbraw/zinc/97/60/89/359976089.db2.gz YIXJWJMOHSDVKQ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CO[C@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000088759376 359976771 /nfs/dbraw/zinc/97/67/71/359976771.db2.gz YTVVJWUYZWDEAM-LBPRGKRZSA-N 1 2 245.282 1.414 20 0 BDADLO CO[C@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000088759376 359976776 /nfs/dbraw/zinc/97/67/76/359976776.db2.gz YTVVJWUYZWDEAM-LBPRGKRZSA-N 1 2 245.282 1.414 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccoc1C ZINC000088795903 359979745 /nfs/dbraw/zinc/97/97/45/359979745.db2.gz KPFNIOUYMMUIHS-LBPRGKRZSA-N 1 2 237.299 1.971 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccoc1C ZINC000088795903 359979746 /nfs/dbraw/zinc/97/97/46/359979746.db2.gz KPFNIOUYMMUIHS-LBPRGKRZSA-N 1 2 237.299 1.971 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[C@@H]4C3)ccn12 ZINC000628520621 360009790 /nfs/dbraw/zinc/00/97/90/360009790.db2.gz SVLGGXSSHFMWJH-TXEJJXNPSA-N 1 2 241.294 1.735 20 0 BDADLO Cc1cc(NC(=O)Cc2cscn2)c(C)c[nH+]1 ZINC000612747599 360040169 /nfs/dbraw/zinc/04/01/69/360040169.db2.gz RAVNTSBEFRDQPZ-UHFFFAOYSA-N 1 2 247.323 1.758 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000612746975 360040321 /nfs/dbraw/zinc/04/03/21/360040321.db2.gz HXDCFOLMWXEFDI-VXGBXAGGSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cc(NC[C@@](C)(O)CO)nc(C(C)C)[nH+]1 ZINC000090287794 360068929 /nfs/dbraw/zinc/06/89/29/360068929.db2.gz GXPSAHWUEDNGSU-GFCCVEGCSA-N 1 2 239.319 1.064 20 0 BDADLO CCc1cc(OCC(N)=O)c2ccccc2[nH+]1 ZINC000090368524 360070124 /nfs/dbraw/zinc/07/01/24/360070124.db2.gz HSVDWSSTQLPHDL-UHFFFAOYSA-N 1 2 230.267 1.661 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000090579336 360078589 /nfs/dbraw/zinc/07/85/89/360078589.db2.gz UXXMHALTJWFHHA-LPEHRKFASA-N 1 2 229.320 1.484 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000091981652 360139650 /nfs/dbraw/zinc/13/96/50/360139650.db2.gz WNBDRLZXQZGQLC-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnn1C ZINC000091981652 360139654 /nfs/dbraw/zinc/13/96/54/360139654.db2.gz WNBDRLZXQZGQLC-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000091917720 360136529 /nfs/dbraw/zinc/13/65/29/360136529.db2.gz URTMQZCMIXYJSO-UHFFFAOYSA-N 1 2 225.288 1.383 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000091917720 360136531 /nfs/dbraw/zinc/13/65/31/360136531.db2.gz URTMQZCMIXYJSO-UHFFFAOYSA-N 1 2 225.288 1.383 20 0 BDADLO c1cn(Cc2ncn(-c3ccccc3)n2)c[nH+]1 ZINC000092802548 360199750 /nfs/dbraw/zinc/19/97/50/360199750.db2.gz JLKIUNADOGCDGY-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO C([NH2+][C@@H]1CCCOC1)c1noc(C2CC2)n1 ZINC000309368997 491147580 /nfs/dbraw/zinc/14/75/80/491147580.db2.gz PZHGNSFKPNOUBN-SECBINFHSA-N 1 2 223.276 1.216 20 0 BDADLO c1ncc(C[N@@H+]2CCOCC23CCC3)s1 ZINC000093509918 360254077 /nfs/dbraw/zinc/25/40/77/360254077.db2.gz LPQVGKOCFIVIDR-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO c1ncc(C[N@H+]2CCOCC23CCC3)s1 ZINC000093509918 360254078 /nfs/dbraw/zinc/25/40/78/360254078.db2.gz LPQVGKOCFIVIDR-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO CC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000614025857 363708508 /nfs/dbraw/zinc/70/85/08/363708508.db2.gz MFRDNUKYYPCCFC-NXEZZACHSA-N 1 2 219.288 1.002 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000093342587 360234301 /nfs/dbraw/zinc/23/43/01/360234301.db2.gz JPRHIINFQOEQGA-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000093342587 360234307 /nfs/dbraw/zinc/23/43/07/360234307.db2.gz JPRHIINFQOEQGA-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000096785734 360353772 /nfs/dbraw/zinc/35/37/72/360353772.db2.gz ZISXWXCJAAHWOH-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096785684 360353885 /nfs/dbraw/zinc/35/38/85/360353885.db2.gz IJHQTGICVCUCSN-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096785907 360355387 /nfs/dbraw/zinc/35/53/87/360355387.db2.gz YPYWTJPPEWKECY-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000552029146 325588757 /nfs/dbraw/zinc/58/87/57/325588757.db2.gz KHGUIKWPBNCUEG-DTWKUNHWSA-N 1 2 243.332 1.177 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CC=CC1 ZINC000623477283 360431346 /nfs/dbraw/zinc/43/13/46/360431346.db2.gz DXUVAOWDQWWECT-NSHDSACASA-N 1 2 248.330 1.537 20 0 BDADLO C/C=C\CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000623477826 360431820 /nfs/dbraw/zinc/43/18/20/360431820.db2.gz TXVLBLWZCPJJJS-XOULXFPDSA-N 1 2 222.292 1.147 20 0 BDADLO CCOC1CC[NH+](Cc2noc(CC)n2)CC1 ZINC000054337905 360483713 /nfs/dbraw/zinc/48/37/13/360483713.db2.gz VTZNOEDJJAOCAN-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCC[C@H](Nc1cc(CC)[nH+]cn1)C(N)=O ZINC000309486438 491149524 /nfs/dbraw/zinc/14/95/24/491149524.db2.gz VNXKKFMTRIAWFS-VIFPVBQESA-N 1 2 222.292 1.105 20 0 BDADLO CC1(C)OC[C@H]2C[C@]21NC(=O)CCc1c[nH+]c[nH]1 ZINC000628604759 360572179 /nfs/dbraw/zinc/57/21/79/360572179.db2.gz IASCGPQRTXLRDK-RNCFNFMXSA-N 1 2 249.314 1.026 20 0 BDADLO CC1(C)OC[C@H]2C[C@]21NC(=O)CCc1c[nH]c[nH+]1 ZINC000628604759 360572186 /nfs/dbraw/zinc/57/21/86/360572186.db2.gz IASCGPQRTXLRDK-RNCFNFMXSA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912136 360745197 /nfs/dbraw/zinc/74/51/97/360745197.db2.gz BMUAPLUECVLYOD-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912136 360745200 /nfs/dbraw/zinc/74/52/00/360745200.db2.gz BMUAPLUECVLYOD-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000629032546 360812731 /nfs/dbraw/zinc/81/27/31/360812731.db2.gz NOAHZFTUVHXDCY-PKRMOACSSA-N 1 2 219.288 1.207 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000629032546 360812732 /nfs/dbraw/zinc/81/27/32/360812732.db2.gz NOAHZFTUVHXDCY-PKRMOACSSA-N 1 2 219.288 1.207 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000629032950 360814496 /nfs/dbraw/zinc/81/44/96/360814496.db2.gz QUUAEPNWKUQCDH-MXQLGCADSA-N 1 2 219.288 1.138 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000629034021 360819692 /nfs/dbraw/zinc/81/96/92/360819692.db2.gz ZVMCOAODIWPZEL-ZMWSMAPVSA-N 1 2 219.288 1.138 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)COCC)C(=O)OC ZINC000154628905 360842661 /nfs/dbraw/zinc/84/26/61/360842661.db2.gz FQHOBANFFOWMSR-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO C/C=C\CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000629042811 360836620 /nfs/dbraw/zinc/83/66/20/360836620.db2.gz KIBVNTODFKSXDC-ARJAWSKDSA-N 1 2 243.310 1.878 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c[nH+]1 ZINC000629140774 360899148 /nfs/dbraw/zinc/89/91/48/360899148.db2.gz YMYVKYBBTBUROB-GXSJLCMTSA-N 1 2 235.287 1.015 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2ccccn2)C1 ZINC000425506028 200807869 /nfs/dbraw/zinc/80/78/69/200807869.db2.gz CLOGGWZEZRLOGG-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2ccccn2)C1 ZINC000425506028 200807872 /nfs/dbraw/zinc/80/78/72/200807872.db2.gz CLOGGWZEZRLOGG-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO O=C(Nc1nccs1)N1CCc2[nH]c[nH+]c2C1 ZINC000629472193 361086217 /nfs/dbraw/zinc/08/62/17/361086217.db2.gz BWZZFNHRONYDQG-UHFFFAOYSA-N 1 2 249.299 1.456 20 0 BDADLO O=C(Nc1nccs1)N1CCc2[nH+]c[nH]c2C1 ZINC000629472193 361086224 /nfs/dbraw/zinc/08/62/24/361086224.db2.gz BWZZFNHRONYDQG-UHFFFAOYSA-N 1 2 249.299 1.456 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H](C)CO)cs1 ZINC000158874114 361213479 /nfs/dbraw/zinc/21/34/79/361213479.db2.gz RZYDBQZZMYXOFB-MRVPVSSYSA-N 1 2 214.334 1.518 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H](C)CO)cs1 ZINC000158874114 361213482 /nfs/dbraw/zinc/21/34/82/361213482.db2.gz RZYDBQZZMYXOFB-MRVPVSSYSA-N 1 2 214.334 1.518 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332980320 361258571 /nfs/dbraw/zinc/25/85/71/361258571.db2.gz MFIGBKZORJUDHQ-MNOVXSKESA-N 1 2 248.330 1.392 20 0 BDADLO Cc1nocc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000640480650 361263410 /nfs/dbraw/zinc/26/34/10/361263410.db2.gz LRAGSGPAHNBDGN-SSDOTTSWSA-N 1 2 234.259 1.523 20 0 BDADLO Cc1nocc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000640480650 361263413 /nfs/dbraw/zinc/26/34/13/361263413.db2.gz LRAGSGPAHNBDGN-SSDOTTSWSA-N 1 2 234.259 1.523 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[S@@](=O)CC2)nc[nH+]1 ZINC000428664135 201031086 /nfs/dbraw/zinc/03/10/86/201031086.db2.gz AKOFUFNCWJRXAE-HWPZZCPQSA-N 1 2 239.344 1.132 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccn(C(C)C)n1 ZINC000429129116 201072290 /nfs/dbraw/zinc/07/22/90/201072290.db2.gz QOGXNTYMKVCHMH-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccn(C(C)C)n1 ZINC000429129116 201072293 /nfs/dbraw/zinc/07/22/93/201072293.db2.gz QOGXNTYMKVCHMH-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ncn1 ZINC000428989666 201057941 /nfs/dbraw/zinc/05/79/41/201057941.db2.gz FCLXCJGZMHZFAU-FZMZJTMJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ncn1 ZINC000428989666 201057944 /nfs/dbraw/zinc/05/79/44/201057944.db2.gz FCLXCJGZMHZFAU-FZMZJTMJSA-N 1 2 247.342 1.784 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cnc(C)s1 ZINC000429154391 201073506 /nfs/dbraw/zinc/07/35/06/201073506.db2.gz GJLKPXYWZCUSND-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cnc(C)s1 ZINC000429154391 201073508 /nfs/dbraw/zinc/07/35/08/201073508.db2.gz GJLKPXYWZCUSND-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1ncnn1C(C)C ZINC000429273040 201088337 /nfs/dbraw/zinc/08/83/37/201088337.db2.gz LSUYGDCJYMILAC-JTQLQIEISA-N 1 2 208.309 1.843 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1ncnn1C(C)C ZINC000429273040 201088340 /nfs/dbraw/zinc/08/83/40/201088340.db2.gz LSUYGDCJYMILAC-JTQLQIEISA-N 1 2 208.309 1.843 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579301238 366755219 /nfs/dbraw/zinc/75/52/19/366755219.db2.gz CNQRBBQUBGSXAL-LBPRGKRZSA-N 1 2 221.304 1.532 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000429500045 201112697 /nfs/dbraw/zinc/11/26/97/201112697.db2.gz VBUGQINBKBXWAR-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO FC(F)(F)CCCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000429316882 201099007 /nfs/dbraw/zinc/09/90/07/201099007.db2.gz JOSKYBWJDWSJQQ-UHFFFAOYSA-N 1 2 248.252 1.895 20 0 BDADLO FC(F)(F)CCCC[N@H+]1CCc2n[nH]nc2C1 ZINC000429316882 201099009 /nfs/dbraw/zinc/09/90/09/201099009.db2.gz JOSKYBWJDWSJQQ-UHFFFAOYSA-N 1 2 248.252 1.895 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC([C@H](C)O)CC2)no1 ZINC000429681121 201126779 /nfs/dbraw/zinc/12/67/79/201126779.db2.gz KBDLDDIBYDWOIB-BDAKNGLRSA-N 1 2 239.319 1.532 20 0 BDADLO C[C@@H]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000579457151 366809544 /nfs/dbraw/zinc/80/95/44/366809544.db2.gz IAXCWMHTAZTIFI-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1sccc1OC ZINC000430148855 201147062 /nfs/dbraw/zinc/14/70/62/201147062.db2.gz OUYBQSCMTJDLQR-UHFFFAOYSA-N 1 2 242.344 1.454 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1sccc1OC ZINC000430148855 201147066 /nfs/dbraw/zinc/14/70/66/201147066.db2.gz OUYBQSCMTJDLQR-UHFFFAOYSA-N 1 2 242.344 1.454 20 0 BDADLO Cc1noc(NCc2c[nH+]c3c(C)cccn23)n1 ZINC000181518464 366817979 /nfs/dbraw/zinc/81/79/79/366817979.db2.gz DXELPVZTEUIEDI-UHFFFAOYSA-N 1 2 243.270 1.946 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000433950491 201199899 /nfs/dbraw/zinc/19/98/99/201199899.db2.gz AQFJBZWLVVJUKE-ADEWGFFLSA-N 1 2 233.315 1.434 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000433950494 201200396 /nfs/dbraw/zinc/20/03/96/201200396.db2.gz AQFJBZWLVVJUKE-YUSALJHKSA-N 1 2 233.315 1.434 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000152579531 201202521 /nfs/dbraw/zinc/20/25/21/201202521.db2.gz FBXOPKIXQISMND-LLVKDONJSA-N 1 2 248.330 1.633 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CC(C)(C)O)[nH+]1 ZINC000433796587 201194115 /nfs/dbraw/zinc/19/41/15/201194115.db2.gz NWBCVAXANLLRJB-UHFFFAOYSA-N 1 2 234.303 1.473 20 0 BDADLO Cn1nccc1-c1ccc(NCCCCO)[nH+]c1 ZINC000629696833 361627158 /nfs/dbraw/zinc/62/71/58/361627158.db2.gz KGLFFEPSKSPCDM-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO CCNc1ccc(-c2ccnn2C)c[nH+]1 ZINC000629697015 361628461 /nfs/dbraw/zinc/62/84/61/361628461.db2.gz RMRJTAHDMBDWAN-UHFFFAOYSA-N 1 2 202.261 1.336 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)n1 ZINC000448554040 201253242 /nfs/dbraw/zinc/25/32/42/201253242.db2.gz GPUHAZBCBUCHHS-SNVBAGLBSA-N 1 2 237.351 1.468 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@H](CC(C)(C)C)C2)n1 ZINC000448554040 201253243 /nfs/dbraw/zinc/25/32/43/201253243.db2.gz GPUHAZBCBUCHHS-SNVBAGLBSA-N 1 2 237.351 1.468 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1nc(C)no1 ZINC000448553139 201255135 /nfs/dbraw/zinc/25/51/35/201255135.db2.gz BFHNZSMLPLQCOI-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1nc(C)no1 ZINC000448553139 201255138 /nfs/dbraw/zinc/25/51/38/201255138.db2.gz BFHNZSMLPLQCOI-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(N2CC(OC(F)F)C2)cc[nH+]1 ZINC000435599343 201277370 /nfs/dbraw/zinc/27/73/70/201277370.db2.gz TUVAQAQCIXKJPU-UHFFFAOYSA-N 1 2 215.203 1.213 20 0 BDADLO COc1ccc2[nH+]c(C)nc(NCCF)c2c1 ZINC000435600203 201278935 /nfs/dbraw/zinc/27/89/35/201278935.db2.gz ZEXLBTJREOBGBV-UHFFFAOYSA-N 1 2 235.262 1.750 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000154542002 201284073 /nfs/dbraw/zinc/28/40/73/201284073.db2.gz JNVNDOUWPBCIHP-ZJUUUORDSA-N 1 2 231.361 1.813 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000154991394 201301432 /nfs/dbraw/zinc/30/14/32/201301432.db2.gz BHGMCLRHUUJKDA-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000154991394 201301435 /nfs/dbraw/zinc/30/14/35/201301435.db2.gz BHGMCLRHUUJKDA-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1COCC1(C)C ZINC000614433478 363818380 /nfs/dbraw/zinc/81/83/80/363818380.db2.gz VFPZVBJHPXVRAF-NXEZZACHSA-N 1 2 249.314 1.119 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000614700077 363930160 /nfs/dbraw/zinc/93/01/60/363930160.db2.gz CSBAECGXYJJFAM-QCNOEVLYSA-N 1 2 245.326 1.360 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000614699854 363930360 /nfs/dbraw/zinc/93/03/60/363930360.db2.gz CIIAISFUUUGBPV-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO COc1c(O)cccc1C[NH2+]Cc1cc(C)on1 ZINC000542773875 364090718 /nfs/dbraw/zinc/09/07/18/364090718.db2.gz BVTNKOIXZWTULT-UHFFFAOYSA-N 1 2 248.282 1.987 20 0 BDADLO CCC[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000170739482 364098891 /nfs/dbraw/zinc/09/88/91/364098891.db2.gz AAVAQCUKGSATOB-LBPRGKRZSA-N 1 2 242.363 1.213 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)COC(C)C ZINC000622083099 370699326 /nfs/dbraw/zinc/69/93/26/370699326.db2.gz YBCAGMYXWRBUMU-JTQLQIEISA-N 1 2 239.319 1.505 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CC(=O)C1 ZINC000622083281 370699839 /nfs/dbraw/zinc/69/98/39/370699839.db2.gz AUQYNMXBFRYXEQ-MRVPVSSYSA-N 1 2 235.287 1.059 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000622099671 370708969 /nfs/dbraw/zinc/70/89/69/370708969.db2.gz LLSJPJSUXCWPLV-GNXNZQSNSA-N 1 2 247.342 1.515 20 0 BDADLO C[C@@H]1CC[C@H](n2cc([C@@H]3COCC[NH2+]3)nn2)C1 ZINC000630604624 364328592 /nfs/dbraw/zinc/32/85/92/364328592.db2.gz UUKMUVYGNIXAMC-SCVCMEIPSA-N 1 2 236.319 1.300 20 0 BDADLO c1cn(Cc2cn(C[C@H]3CCCCO3)nn2)c[nH+]1 ZINC000630610073 364339860 /nfs/dbraw/zinc/33/98/60/364339860.db2.gz XHFRTPQFYZGIMB-GFCCVEGCSA-N 1 2 247.302 1.092 20 0 BDADLO COc1cc(NC(=O)Cc2[nH]c[nH+]c2C)ccn1 ZINC000615005391 364344495 /nfs/dbraw/zinc/34/44/95/364344495.db2.gz BQJCIXKPGHEPEY-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO O=C(c1ncccc1F)N1CCn2c[nH+]cc2C1 ZINC000615039018 364405330 /nfs/dbraw/zinc/40/53/30/364405330.db2.gz DHFVRTJOXCFCCJ-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)O)C2)no1 ZINC000579531304 366846838 /nfs/dbraw/zinc/84/68/38/366846838.db2.gz YMFBBZIKOVLJQT-ATZCPNFKSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H]([C@H](C)O)C2)no1 ZINC000579531304 366846842 /nfs/dbraw/zinc/84/68/42/366846842.db2.gz YMFBBZIKOVLJQT-ATZCPNFKSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)no1 ZINC000579531335 366847087 /nfs/dbraw/zinc/84/70/87/366847087.db2.gz YMFBBZIKOVLJQT-IQJOONFLSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)O)C2)no1 ZINC000579531335 366847092 /nfs/dbraw/zinc/84/70/92/366847092.db2.gz YMFBBZIKOVLJQT-IQJOONFLSA-N 1 2 239.319 1.532 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H](CO)C(C)(C)C)[nH]1 ZINC000181772042 366843935 /nfs/dbraw/zinc/84/39/35/366843935.db2.gz OSGVAWKCWCIBFA-SECBINFHSA-N 1 2 240.351 1.206 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H](CO)C(C)(C)C)[nH]1 ZINC000181772042 366843937 /nfs/dbraw/zinc/84/39/37/366843937.db2.gz OSGVAWKCWCIBFA-SECBINFHSA-N 1 2 240.351 1.206 20 0 BDADLO CC[C@@H](CCO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000081004122 364510876 /nfs/dbraw/zinc/51/08/76/364510876.db2.gz MGSKBEWMRLTFDO-VIFPVBQESA-N 1 2 234.303 1.839 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000551981310 364609062 /nfs/dbraw/zinc/60/90/62/364609062.db2.gz ODSLYXXGJDAMAM-IUCAKERBSA-N 1 2 213.256 1.955 20 0 BDADLO C[C@H](F)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000551981310 364609064 /nfs/dbraw/zinc/60/90/64/364609064.db2.gz ODSLYXXGJDAMAM-IUCAKERBSA-N 1 2 213.256 1.955 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000615362368 364730872 /nfs/dbraw/zinc/73/08/72/364730872.db2.gz GNTZJQKSGQVRAX-KXUCPTDWSA-N 1 2 233.315 1.381 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000615362368 364730876 /nfs/dbraw/zinc/73/08/76/364730876.db2.gz GNTZJQKSGQVRAX-KXUCPTDWSA-N 1 2 233.315 1.381 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCOC[C@@H]1C ZINC000573338320 364804532 /nfs/dbraw/zinc/80/45/32/364804532.db2.gz KJTYRENDSJIJNG-CMPLNLGQSA-N 1 2 235.331 1.600 20 0 BDADLO CC1(C)C[N@H+](Cc2cscn2)CC[C@@H]1O ZINC000275412958 364758686 /nfs/dbraw/zinc/75/86/86/364758686.db2.gz GKIIBDHKNVILIL-JTQLQIEISA-N 1 2 226.345 1.736 20 0 BDADLO CC1(C)C[N@@H+](Cc2cscn2)CC[C@@H]1O ZINC000275412958 364758692 /nfs/dbraw/zinc/75/86/92/364758692.db2.gz GKIIBDHKNVILIL-JTQLQIEISA-N 1 2 226.345 1.736 20 0 BDADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)c(=O)[nH]1 ZINC000573503479 364849929 /nfs/dbraw/zinc/84/99/29/364849929.db2.gz CLCLCNCYKYPXLS-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)Cc1ccc(F)cc1 ZINC000573358437 364808717 /nfs/dbraw/zinc/80/87/17/364808717.db2.gz OPWUJLNBYQVTIT-CYBMUJFWSA-N 1 2 249.289 1.242 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cncnc2)cnn1C ZINC000573354664 364809028 /nfs/dbraw/zinc/80/90/28/364809028.db2.gz UHUSVRRFFPXKIT-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cncnc2)cnn1C ZINC000573354664 364809029 /nfs/dbraw/zinc/80/90/29/364809029.db2.gz UHUSVRRFFPXKIT-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C1CCC1 ZINC000573433655 364830897 /nfs/dbraw/zinc/83/08/97/364830897.db2.gz XDKBQFJINRYHSX-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C1CCC1 ZINC000573433655 364830901 /nfs/dbraw/zinc/83/09/01/364830901.db2.gz XDKBQFJINRYHSX-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC1(F)F ZINC000573855596 364932085 /nfs/dbraw/zinc/93/20/85/364932085.db2.gz NZJYUMSEBXBQHT-VIFPVBQESA-N 1 2 243.257 1.435 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000573895532 364940106 /nfs/dbraw/zinc/94/01/06/364940106.db2.gz UIGJDRYLDRWRMW-IVZWLZJFSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000573895532 364940110 /nfs/dbraw/zinc/94/01/10/364940110.db2.gz UIGJDRYLDRWRMW-IVZWLZJFSA-N 1 2 215.293 1.047 20 0 BDADLO CCc1cc(N2C[C@H](C)OC[C@H]2C)nc(C)[nH+]1 ZINC000248440593 541430383 /nfs/dbraw/zinc/43/03/83/541430383.db2.gz UTLLXJWBAMBREJ-ZJUUUORDSA-N 1 2 235.331 1.961 20 0 BDADLO C[C@H](O)CCC[N@@H+]1Cc2cccnc2C1 ZINC000574075600 364982899 /nfs/dbraw/zinc/98/28/99/364982899.db2.gz WWUMHXZNPAUQOE-JTQLQIEISA-N 1 2 206.289 1.558 20 0 BDADLO C[C@H](O)CCC[N@H+]1Cc2cccnc2C1 ZINC000574075600 364982904 /nfs/dbraw/zinc/98/29/04/364982904.db2.gz WWUMHXZNPAUQOE-JTQLQIEISA-N 1 2 206.289 1.558 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CC[C@@H](F)C1)n1cc[nH+]c1 ZINC000574210476 365010639 /nfs/dbraw/zinc/01/06/39/365010639.db2.gz VSJJIADRETYVEJ-GMTAPVOTSA-N 1 2 239.294 1.841 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000574337327 365040179 /nfs/dbraw/zinc/04/01/79/365040179.db2.gz QBYLFQUUALMWKH-DTWKUNHWSA-N 1 2 237.303 1.196 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1cccc(O)c1 ZINC000168989053 365048600 /nfs/dbraw/zinc/04/86/00/365048600.db2.gz UIQNSHNURXJDMP-UHFFFAOYSA-N 1 2 248.326 1.446 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(O)c1 ZINC000168989053 365048603 /nfs/dbraw/zinc/04/86/03/365048603.db2.gz UIQNSHNURXJDMP-UHFFFAOYSA-N 1 2 248.326 1.446 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1[nH]cc[nH+]1 ZINC000574291393 365030969 /nfs/dbraw/zinc/03/09/69/365030969.db2.gz FGIBQEYOZCQZAJ-PHDIDXHHSA-N 1 2 235.209 1.785 20 0 BDADLO Cc1cc(C)nc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000574472437 365071097 /nfs/dbraw/zinc/07/10/97/365071097.db2.gz GOBAUSSPNDHJIT-JTQLQIEISA-N 1 2 245.330 1.460 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]CCCF)no1 ZINC000330363468 365086967 /nfs/dbraw/zinc/08/69/67/365086967.db2.gz GMKNZQFQBVDEQV-UHFFFAOYSA-N 1 2 215.272 1.816 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000574805753 365147480 /nfs/dbraw/zinc/14/74/80/365147480.db2.gz KHEYOUMLBZHITE-WPRPVWTQSA-N 1 2 231.299 1.498 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000574805753 365147487 /nfs/dbraw/zinc/14/74/87/365147487.db2.gz KHEYOUMLBZHITE-WPRPVWTQSA-N 1 2 231.299 1.498 20 0 BDADLO Cc1nc(N2CCCC23CCC3)nc(N(C)C)[nH+]1 ZINC000443957324 193032169 /nfs/dbraw/zinc/03/21/69/193032169.db2.gz KJUYROXIWSARDV-UHFFFAOYSA-N 1 2 247.346 1.769 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC23CCC3)[nH+]1 ZINC000443957324 193032172 /nfs/dbraw/zinc/03/21/72/193032172.db2.gz KJUYROXIWSARDV-UHFFFAOYSA-N 1 2 247.346 1.769 20 0 BDADLO CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000171990369 365266526 /nfs/dbraw/zinc/26/65/26/365266526.db2.gz KPWMGKGENUDHFJ-UHFFFAOYSA-N 1 2 234.290 1.490 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC(CCO)CC2)no1 ZINC000554934652 325740591 /nfs/dbraw/zinc/74/05/91/325740591.db2.gz ZBRIIAUNSAJUNN-VIFPVBQESA-N 1 2 239.319 1.533 20 0 BDADLO CC1(CCNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000575375937 365305099 /nfs/dbraw/zinc/30/50/99/365305099.db2.gz ASOWSAXOBYWSLK-VIFPVBQESA-N 1 2 239.344 1.449 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCC(F)(F)C1 ZINC000575393925 365306593 /nfs/dbraw/zinc/30/65/93/365306593.db2.gz HFTGEHXNIPYCBY-VIFPVBQESA-N 1 2 243.257 1.577 20 0 BDADLO Cc1[nH+]c[nH]c1[C@H]1Nc2ccccc2C(=O)N1C ZINC000172853459 365383664 /nfs/dbraw/zinc/38/36/64/365383664.db2.gz VTYOAYZOEOQPOF-LBPRGKRZSA-N 1 2 242.282 1.914 20 0 BDADLO Cn1ncc2c1nc(NCCC(C)(C)C)[nH+]c2N ZINC000576182931 365513361 /nfs/dbraw/zinc/51/33/61/365513361.db2.gz CWFMLXPEWDUOKH-UHFFFAOYSA-N 1 2 248.334 1.216 20 0 BDADLO COC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183197829 367000835 /nfs/dbraw/zinc/00/08/35/367000835.db2.gz JTVHOFBMLPFOKY-CYBMUJFWSA-N 1 2 233.311 1.770 20 0 BDADLO CCCc1nc(C[NH2+][C@H](COC)C2CC2)no1 ZINC000183453899 367024442 /nfs/dbraw/zinc/02/44/42/367024442.db2.gz XJUPGRIRGATHSN-SNVBAGLBSA-N 1 2 239.319 1.537 20 0 BDADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCO1 ZINC000183621815 367034446 /nfs/dbraw/zinc/03/44/46/367034446.db2.gz KIQITHDXFMADLH-UHFFFAOYSA-N 1 2 243.266 1.650 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCC(=O)C1 ZINC000579836948 367039609 /nfs/dbraw/zinc/03/96/09/367039609.db2.gz OJNAISGCCLBRJT-VHSXEESVSA-N 1 2 249.314 1.449 20 0 BDADLO CCCN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC000579978490 367113906 /nfs/dbraw/zinc/11/39/06/367113906.db2.gz VOANGBIALQJKGK-UHFFFAOYSA-N 1 2 223.320 1.908 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NCC1CCC1 ZINC000193161064 367153864 /nfs/dbraw/zinc/15/38/64/367153864.db2.gz NWARPCDWJWEPPV-UHFFFAOYSA-N 1 2 243.310 1.793 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)C(C)(F)F)n1cc[nH+]c1 ZINC000580837616 367183830 /nfs/dbraw/zinc/18/38/30/367183830.db2.gz XFCBNQWWRLHCGB-RKDXNWHRSA-N 1 2 245.273 1.994 20 0 BDADLO CCCC[N@H+](CCOC)Cc1nc(CC)no1 ZINC000068852356 370854295 /nfs/dbraw/zinc/85/42/95/370854295.db2.gz SGKDFHJYINCPBN-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1nc(CC)no1 ZINC000068852356 370854298 /nfs/dbraw/zinc/85/42/98/370854298.db2.gz SGKDFHJYINCPBN-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO COc1cc(C[NH+]2CCOCC2)ccc1C ZINC000193575487 367193611 /nfs/dbraw/zinc/19/36/11/367193611.db2.gz JDQTYHMLIACIAT-UHFFFAOYSA-N 1 2 221.300 1.836 20 0 BDADLO CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000581165335 367279831 /nfs/dbraw/zinc/27/98/31/367279831.db2.gz HFUMQJMOTBWNKM-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H](O)C1 ZINC000581303100 367332189 /nfs/dbraw/zinc/33/21/89/367332189.db2.gz DKONSXKXVOHGPP-SNVBAGLBSA-N 1 2 249.314 1.242 20 0 BDADLO CCC1(CC)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000581302285 367332428 /nfs/dbraw/zinc/33/24/28/367332428.db2.gz DBWHIMAWLGQRKE-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C)[C@H]1C ZINC000380743482 367295086 /nfs/dbraw/zinc/29/50/86/367295086.db2.gz CMTVTPHXIYNEIP-HTQZYQBOSA-N 1 2 222.292 1.302 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C)[C@H]1C ZINC000380743482 367295090 /nfs/dbraw/zinc/29/50/90/367295090.db2.gz CMTVTPHXIYNEIP-HTQZYQBOSA-N 1 2 222.292 1.302 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCC[C@H]2OC)no1 ZINC000382206047 367498670 /nfs/dbraw/zinc/49/86/70/367498670.db2.gz GCAJMPOZPAGEBB-RKDXNWHRSA-N 1 2 225.292 1.289 20 0 BDADLO Cc1cccc(C[NH2+][C@@H]2CCn3ccnc32)n1 ZINC000383247230 367608450 /nfs/dbraw/zinc/60/84/50/367608450.db2.gz DNHTVGHUBGZHOU-GFCCVEGCSA-N 1 2 228.299 1.821 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000581587905 367615279 /nfs/dbraw/zinc/61/52/79/367615279.db2.gz IQVJXJGHCCLERZ-JOYOIKCWSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@](C)(F)C2)n1 ZINC000581587905 367615284 /nfs/dbraw/zinc/61/52/84/367615284.db2.gz IQVJXJGHCCLERZ-JOYOIKCWSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000581655040 367656989 /nfs/dbraw/zinc/65/69/89/367656989.db2.gz MUMWRCAGAWNCEF-VIFPVBQESA-N 1 2 243.257 1.599 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000581655040 367656994 /nfs/dbraw/zinc/65/69/94/367656994.db2.gz MUMWRCAGAWNCEF-VIFPVBQESA-N 1 2 243.257 1.599 20 0 BDADLO CCCN(C(=O)[C@H]1COCC[N@@H+]1CC)C1CC1 ZINC000622355220 370864397 /nfs/dbraw/zinc/86/43/97/370864397.db2.gz UILXRHPITFIVKO-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCCN(C(=O)[C@H]1COCC[N@H+]1CC)C1CC1 ZINC000622355220 370864400 /nfs/dbraw/zinc/86/44/00/370864400.db2.gz UILXRHPITFIVKO-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000015416433 367941442 /nfs/dbraw/zinc/94/14/42/367941442.db2.gz XTQHWONCOBGCSQ-GFCCVEGCSA-N 1 2 249.358 1.637 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000015416433 367941447 /nfs/dbraw/zinc/94/14/47/367941447.db2.gz XTQHWONCOBGCSQ-GFCCVEGCSA-N 1 2 249.358 1.637 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@H](C)[C@H]2C)on1 ZINC000581951798 368018357 /nfs/dbraw/zinc/01/83/57/368018357.db2.gz NNHWSTXVHMORSR-JGVFFNPUSA-N 1 2 208.261 1.717 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@H](C)[C@H]2C)on1 ZINC000581951798 368018361 /nfs/dbraw/zinc/01/83/61/368018361.db2.gz NNHWSTXVHMORSR-JGVFFNPUSA-N 1 2 208.261 1.717 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccco1 ZINC000642516392 368166689 /nfs/dbraw/zinc/16/66/89/368166689.db2.gz REZXDAYGTKZOKR-MRVPVSSYSA-N 1 2 233.275 1.452 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000615677867 368221419 /nfs/dbraw/zinc/22/14/19/368221419.db2.gz VZWLRZXLAIKMGU-NXEZZACHSA-N 1 2 233.315 1.582 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047500227 368463719 /nfs/dbraw/zinc/46/37/19/368463719.db2.gz USDFRTHAMXWWLJ-WDEREUQCSA-N 1 2 248.330 1.449 20 0 BDADLO Cc1cc(C(=O)NCCCCn2cc[nH+]c2)no1 ZINC000060408227 368541916 /nfs/dbraw/zinc/54/19/16/368541916.db2.gz RVYDGTZIKXXMFR-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO CCOc1nnc(C[NH+](CC)CC)s1 ZINC000063483051 368585912 /nfs/dbraw/zinc/58/59/12/368585912.db2.gz DIMDXVWPUCHFFN-UHFFFAOYSA-N 1 2 215.322 1.779 20 0 BDADLO Cc1occc1C(=O)NCCNc1cccc[nH+]1 ZINC000063706448 368592117 /nfs/dbraw/zinc/59/21/17/368592117.db2.gz LBEJKGBRDVLYKE-UHFFFAOYSA-N 1 2 245.282 1.825 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000064247725 368600622 /nfs/dbraw/zinc/60/06/22/368600622.db2.gz HPNHUHNDVBHZCV-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000064247725 368600624 /nfs/dbraw/zinc/60/06/24/368600624.db2.gz HPNHUHNDVBHZCV-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO CCc1ncc(C(=O)N2CC[NH+](C)CC2)s1 ZINC000065047962 368618342 /nfs/dbraw/zinc/61/83/42/368618342.db2.gz SCPZVIMTYSWRBV-UHFFFAOYSA-N 1 2 239.344 1.093 20 0 BDADLO CN(C)c1ccc(CNC(=O)c2ccon2)c[nH+]1 ZINC000067709392 368697833 /nfs/dbraw/zinc/69/78/33/368697833.db2.gz OHBWRLYKIJFTTO-UHFFFAOYSA-N 1 2 246.270 1.066 20 0 BDADLO CCN(CC)C(=O)CN(C)c1cccc[nH+]1 ZINC000067948607 368707106 /nfs/dbraw/zinc/70/71/06/368707106.db2.gz KQSOCLSEAJJXCS-UHFFFAOYSA-N 1 2 221.304 1.386 20 0 BDADLO CCS[C@H](C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000067190535 368681088 /nfs/dbraw/zinc/68/10/88/368681088.db2.gz WZHKVDTUHWBFHA-NSHDSACASA-N 1 2 244.404 1.538 20 0 BDADLO O=C(/C=C/c1ccsc1)NCCn1cc[nH+]c1 ZINC000068741811 368733221 /nfs/dbraw/zinc/73/32/21/368733221.db2.gz WLPHWHHGHLIHAS-OWOJBTEDSA-N 1 2 247.323 1.774 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000073331150 368800896 /nfs/dbraw/zinc/80/08/96/368800896.db2.gz CRYDIUFTUCBZOL-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO CSc1ccc(NC(=O)Cn2cc[nH+]c2)nc1 ZINC000073764751 368814993 /nfs/dbraw/zinc/81/49/93/368814993.db2.gz ZVMKYSGOMRMRPS-UHFFFAOYSA-N 1 2 248.311 1.639 20 0 BDADLO CCc1cnc(C[NH2+]C(C)(C)C(=O)N(C)C)o1 ZINC000072631566 368777032 /nfs/dbraw/zinc/77/70/32/368777032.db2.gz RFDLDTOUWYFJNO-UHFFFAOYSA-N 1 2 239.319 1.193 20 0 BDADLO CC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072800394 368781395 /nfs/dbraw/zinc/78/13/95/368781395.db2.gz AARWOSBWUVSJKL-SECBINFHSA-N 1 2 210.302 1.241 20 0 BDADLO CC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072800394 368781398 /nfs/dbraw/zinc/78/13/98/368781398.db2.gz AARWOSBWUVSJKL-SECBINFHSA-N 1 2 210.302 1.241 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073056985 368792715 /nfs/dbraw/zinc/79/27/15/368792715.db2.gz DJEGFIXLOQLFIY-VHSXEESVSA-N 1 2 209.293 1.434 20 0 BDADLO Cc1cc(C)cc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000618159296 369074052 /nfs/dbraw/zinc/07/40/52/369074052.db2.gz VELZFRAQBGFCJB-UHFFFAOYSA-N 1 2 243.310 1.816 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000054622397 369079825 /nfs/dbraw/zinc/07/98/25/369079825.db2.gz QQKCRGVNEAXVCI-SECBINFHSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000054622397 369079831 /nfs/dbraw/zinc/07/98/31/369079831.db2.gz QQKCRGVNEAXVCI-SECBINFHSA-N 1 2 239.319 1.324 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C1CCC1 ZINC000457448901 203065771 /nfs/dbraw/zinc/06/57/71/203065771.db2.gz XQKADWNTTIUORY-MNOVXSKESA-N 1 2 235.331 1.824 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000457462233 203067420 /nfs/dbraw/zinc/06/74/20/203067420.db2.gz IMQSTMSQFMVNMF-WDEREUQCSA-N 1 2 236.319 1.227 20 0 BDADLO Cc1nc(N2CCC[C@@H](CCO)C2)cc[nH+]1 ZINC000054937180 369116848 /nfs/dbraw/zinc/11/68/48/369116848.db2.gz AAJDZEJRZDIZOP-NSHDSACASA-N 1 2 221.304 1.384 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)C1CCC1 ZINC000457621036 203082142 /nfs/dbraw/zinc/08/21/42/203082142.db2.gz USXAILKNYAEQPI-QMMMGPOBSA-N 1 2 221.304 1.771 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cccc(F)c1 ZINC000054858967 369106278 /nfs/dbraw/zinc/10/62/78/369106278.db2.gz PLGTXGJQNZVSKO-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618496258 369158279 /nfs/dbraw/zinc/15/82/79/369158279.db2.gz CPAAOJGQRUZYPP-SDDRHHMPSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618496258 369158283 /nfs/dbraw/zinc/15/82/83/369158283.db2.gz CPAAOJGQRUZYPP-SDDRHHMPSA-N 1 2 247.342 1.813 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618500821 369159695 /nfs/dbraw/zinc/15/96/95/369159695.db2.gz VXMQIIWWVKPYPP-SDDRHHMPSA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000457986530 203121665 /nfs/dbraw/zinc/12/16/65/203121665.db2.gz GIIWBCKPPAQTKG-DGCLKSJQSA-N 1 2 249.358 1.904 20 0 BDADLO CN(C(=O)CCc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000458186431 203144495 /nfs/dbraw/zinc/14/44/95/203144495.db2.gz NAUZZWJIZZUOQT-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000458087813 203131171 /nfs/dbraw/zinc/13/11/71/203131171.db2.gz CJKDXNRUHCSZAZ-WCQYABFASA-N 1 2 235.331 1.824 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000458107998 203133675 /nfs/dbraw/zinc/13/36/75/203133675.db2.gz DYZLZBHKXMUPKW-GWCFXTLKSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000458107999 203133750 /nfs/dbraw/zinc/13/37/50/203133750.db2.gz DYZLZBHKXMUPKW-GXFFZTMASA-N 1 2 235.331 1.893 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC=CCC1 ZINC000458348182 203164351 /nfs/dbraw/zinc/16/43/51/203164351.db2.gz OZEHTIDOGFRHFT-CQSZACIVSA-N 1 2 247.342 1.968 20 0 BDADLO CO[C@@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619012897 369257510 /nfs/dbraw/zinc/25/75/10/369257510.db2.gz IBOYBNNCZXCVIM-VIFPVBQESA-N 1 2 233.271 1.616 20 0 BDADLO Cc1cccn2c(NC(=O)C3CC(=O)C3)c[nH+]c12 ZINC000619014233 369257637 /nfs/dbraw/zinc/25/76/37/369257637.db2.gz HYBDAWZPWSNOEV-UHFFFAOYSA-N 1 2 243.266 1.560 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnnn1CC ZINC000459301675 203250114 /nfs/dbraw/zinc/25/01/14/203250114.db2.gz MRVSWPWFADUHTB-QWRGUYRKSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnnn1CC ZINC000459301675 203250117 /nfs/dbraw/zinc/25/01/17/203250117.db2.gz MRVSWPWFADUHTB-QWRGUYRKSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000459304888 203252515 /nfs/dbraw/zinc/25/25/15/203252515.db2.gz OHXFPZHBOCKAAF-VXGBXAGGSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000459304888 203252518 /nfs/dbraw/zinc/25/25/18/203252518.db2.gz OHXFPZHBOCKAAF-VXGBXAGGSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1nncc1C[N@H+](C)CCOCC1CC1 ZINC000459344445 203263545 /nfs/dbraw/zinc/26/35/45/203263545.db2.gz NMMZKGUYBIRUKM-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCn1nncc1C[N@@H+](C)CCOCC1CC1 ZINC000459344445 203263547 /nfs/dbraw/zinc/26/35/47/203263547.db2.gz NMMZKGUYBIRUKM-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO C[N@H+](CCn1cc(Cl)cn1)Cc1ccon1 ZINC000459345353 203264763 /nfs/dbraw/zinc/26/47/63/203264763.db2.gz SRPDKQZCQFOPKJ-UHFFFAOYSA-N 1 2 240.694 1.657 20 0 BDADLO C[N@@H+](CCn1cc(Cl)cn1)Cc1ccon1 ZINC000459345353 203264766 /nfs/dbraw/zinc/26/47/66/203264766.db2.gz SRPDKQZCQFOPKJ-UHFFFAOYSA-N 1 2 240.694 1.657 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cnn2c1CCC2 ZINC000623679452 369379895 /nfs/dbraw/zinc/37/98/95/369379895.db2.gz YDQSHYALGFXGIS-UHFFFAOYSA-N 1 2 229.274 1.964 20 0 BDADLO CCCCCOC1CN(Cc2[nH+]ccn2C)C1 ZINC000459591145 203310335 /nfs/dbraw/zinc/31/03/35/203310335.db2.gz KFSQUQXHFAJHBH-UHFFFAOYSA-N 1 2 237.347 1.811 20 0 BDADLO CCOC1C[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000459605068 203313679 /nfs/dbraw/zinc/31/36/79/203313679.db2.gz KXWQNSOCQYTYSX-UHFFFAOYSA-N 1 2 247.298 1.890 20 0 BDADLO COc1nccnc1C[NH+]1CC2(C1)CCCOC2 ZINC000459605410 203314067 /nfs/dbraw/zinc/31/40/67/203314067.db2.gz LVCFRHSFTWXNQB-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COc1cccc(C[C@@H](C)[NH2+]CC(F)F)n1 ZINC000459550562 203298307 /nfs/dbraw/zinc/29/83/07/203298307.db2.gz UMYLZVPGJPZJHN-MRVPVSSYSA-N 1 2 230.258 1.876 20 0 BDADLO CC/C=C\CC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459565051 203304135 /nfs/dbraw/zinc/30/41/35/203304135.db2.gz XOASRVGTEPZBKD-WSROAFLRSA-N 1 2 243.347 1.901 20 0 BDADLO Cc1ccccc1C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000459612553 203315964 /nfs/dbraw/zinc/31/59/64/203315964.db2.gz SHPAALQWXUFJQS-UHFFFAOYSA-N 1 2 244.338 1.705 20 0 BDADLO CCNC(=O)C1C[NH+](Cc2csc(C)n2)C1 ZINC000459614511 203316868 /nfs/dbraw/zinc/31/68/68/203316868.db2.gz XJFJYOMLXYKVRH-UHFFFAOYSA-N 1 2 239.344 1.019 20 0 BDADLO CCSCC[NH+]1CC(OC(F)F)C1 ZINC000459629432 203323229 /nfs/dbraw/zinc/32/32/29/203323229.db2.gz NTVXXMXVTTZNLA-UHFFFAOYSA-N 1 2 211.277 1.663 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@H]1CCCO1 ZINC000619515285 369457166 /nfs/dbraw/zinc/45/71/66/369457166.db2.gz VRFIDRHMLRJVBL-AXFHLTTASA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@H]1CCCO1 ZINC000619515285 369457171 /nfs/dbraw/zinc/45/71/71/369457171.db2.gz VRFIDRHMLRJVBL-AXFHLTTASA-N 1 2 245.294 1.141 20 0 BDADLO C[N@H+](Cc1ncnn1CCF)C1CC(C)(C)C1 ZINC000459746988 203354186 /nfs/dbraw/zinc/35/41/86/203354186.db2.gz GNCYMRSJOURVLS-UHFFFAOYSA-N 1 2 240.326 1.868 20 0 BDADLO C[N@@H+](Cc1ncnn1CCF)C1CC(C)(C)C1 ZINC000459746988 203354189 /nfs/dbraw/zinc/35/41/89/203354189.db2.gz GNCYMRSJOURVLS-UHFFFAOYSA-N 1 2 240.326 1.868 20 0 BDADLO Cn1c[nH+]cc1Cn1sc2ccccc2c1=O ZINC000533468922 370973594 /nfs/dbraw/zinc/97/35/94/370973594.db2.gz PBVPGCLOCFDYDY-UHFFFAOYSA-N 1 2 245.307 1.845 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459763149 203360195 /nfs/dbraw/zinc/36/01/95/203360195.db2.gz ANOQFDPHDFWHSF-BBBLOLIVSA-N 1 2 215.293 1.095 20 0 BDADLO CCN(CCO)c1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631033066 370976074 /nfs/dbraw/zinc/97/60/74/370976074.db2.gz PVGFFNDTSUDKOB-UHFFFAOYSA-N 1 2 248.330 1.900 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459762973 203361207 /nfs/dbraw/zinc/36/12/07/203361207.db2.gz AASTYTBLMVVIEF-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N2CCOCC2)[nH+]1 ZINC000631030370 370961897 /nfs/dbraw/zinc/96/18/97/370961897.db2.gz OQRYQNREQLIZCL-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO O=C(c1ccco1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082277800 370978473 /nfs/dbraw/zinc/97/84/73/370978473.db2.gz UYHJJNQMLTUWAV-NSHDSACASA-N 1 2 245.282 1.953 20 0 BDADLO C[C@H](CNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000619687905 369528082 /nfs/dbraw/zinc/52/80/82/369528082.db2.gz LSEWQVDPXSKLSY-SNVBAGLBSA-N 1 2 236.319 1.228 20 0 BDADLO CN(C)C(=O)CN(C)c1cc2ccccc2c[nH+]1 ZINC000631037657 370992462 /nfs/dbraw/zinc/99/24/62/370992462.db2.gz IWGNUHPPTYVSIW-UHFFFAOYSA-N 1 2 243.310 1.759 20 0 BDADLO COC(=O)c1cncnc1/C=C/c1cn(C)c[nH+]1 ZINC000619743347 369568379 /nfs/dbraw/zinc/56/83/79/369568379.db2.gz SKEUPHBQABAPPQ-ONEGZZNKSA-N 1 2 244.254 1.167 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1CCC1 ZINC000620412546 369867243 /nfs/dbraw/zinc/86/72/43/369867243.db2.gz JIJFPAIRFPMUBZ-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CC12CCC2)c1[nH+]ccn1C ZINC000620602992 369950246 /nfs/dbraw/zinc/95/02/46/369950246.db2.gz GKGHNGBWHRAASK-UWVGGRQHSA-N 1 2 233.315 1.788 20 0 BDADLO C[C@@H](NC(=O)C1CC(F)(F)C1)c1[nH+]ccn1C ZINC000620602939 369950426 /nfs/dbraw/zinc/95/04/26/369950426.db2.gz GCSYMIJRYVOBJD-SSDOTTSWSA-N 1 2 243.257 1.643 20 0 BDADLO C[C@H](NC(=O)CCC(F)F)c1[nH+]ccn1C ZINC000620606599 369954447 /nfs/dbraw/zinc/95/44/47/369954447.db2.gz XFHGHCPSYMOCGB-ZETCQYMHSA-N 1 2 231.246 1.643 20 0 BDADLO Cc1nccnc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620607021 369955489 /nfs/dbraw/zinc/95/54/89/369955489.db2.gz DJOQUBXHBIJDMW-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1[nH+]ccn1C ZINC000620591479 369944207 /nfs/dbraw/zinc/94/42/07/369944207.db2.gz CSKOWCILMUSVEG-GHMZBOCLSA-N 1 2 233.315 1.954 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CC=CCC1)c1[nH+]ccn1C ZINC000620594714 369946140 /nfs/dbraw/zinc/94/61/40/369946140.db2.gz BLVPUVXLKYWQNT-WDEREUQCSA-N 1 2 233.315 1.954 20 0 BDADLO C[C@H](NC(=O)c1cncs1)c1[nH+]ccn1C ZINC000620594670 369946487 /nfs/dbraw/zinc/94/64/87/369946487.db2.gz CUWJLDZBBHIXCJ-ZETCQYMHSA-N 1 2 236.300 1.368 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCCOC1)c1[nH+]ccn1C ZINC000620594827 369948134 /nfs/dbraw/zinc/94/81/34/369948134.db2.gz GYHBLUHPMFCZTF-UWVGGRQHSA-N 1 2 237.303 1.024 20 0 BDADLO CC1(C)CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000620744214 369991356 /nfs/dbraw/zinc/99/13/56/369991356.db2.gz XNFRXPRZOLQOHT-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cn(C)nc1NC(=O)CCc1c[nH+]cn1C ZINC000620923582 370057567 /nfs/dbraw/zinc/05/75/67/370057567.db2.gz RCARSTGWLUPYNS-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO CO[C@H]1C[C@@H]([NH2+]Cc2noc(C)n2)C12CCC2 ZINC000308399656 370135174 /nfs/dbraw/zinc/13/51/74/370135174.db2.gz VLZAFXQYMNQWTH-ZJUUUORDSA-N 1 2 237.303 1.425 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2CCO[C@H]2C)[nH+]1 ZINC000631005903 370144097 /nfs/dbraw/zinc/14/40/97/370144097.db2.gz OQCBQKKGNHLROW-IUCAKERBSA-N 1 2 239.344 1.715 20 0 BDADLO CC[C@@H](F)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000308568938 370145679 /nfs/dbraw/zinc/14/56/79/370145679.db2.gz BLCDJWBYFYILSN-POYBYMJQSA-N 1 2 201.245 1.777 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3ccnc3C2)ccn1 ZINC000621253676 370186344 /nfs/dbraw/zinc/18/63/44/370186344.db2.gz PVWRMMXWSZMIJW-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cc(C[N@H+]2CCn3ccnc3C2)ccn1 ZINC000621253676 370186351 /nfs/dbraw/zinc/18/63/51/370186351.db2.gz PVWRMMXWSZMIJW-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO FC(F)(F)[C@@H]1C[C@@H](Nc2c[nH]c[nH+]2)CCO1 ZINC000309528734 370223214 /nfs/dbraw/zinc/22/32/14/370223214.db2.gz CTEPPCDUPKFVBQ-BQBZGAKWSA-N 1 2 235.209 1.932 20 0 BDADLO C[N@H+](Cc1cncc(Cl)c1)C(C)(C)C(N)=O ZINC000621298718 370228074 /nfs/dbraw/zinc/22/80/74/370228074.db2.gz GYNSVRVEEPVAGQ-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO C[N@@H+](Cc1cncc(Cl)c1)C(C)(C)C(N)=O ZINC000621298718 370228077 /nfs/dbraw/zinc/22/80/77/370228077.db2.gz GYNSVRVEEPVAGQ-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO Cc1ccc(CCNc2cccnn2)c[nH+]1 ZINC000309720609 370249099 /nfs/dbraw/zinc/24/90/99/370249099.db2.gz VWXCJTVOHNRJAR-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO Cc1ccnc([C@H](C)Nc2cc[nH+]c(C)n2)n1 ZINC000621329669 370262297 /nfs/dbraw/zinc/26/22/97/370262297.db2.gz KTDCKRGTKTWHNN-VIFPVBQESA-N 1 2 229.287 1.478 20 0 BDADLO Nc1[nH+]cnc(NCC[C@@H]2CC2(F)F)c1Cl ZINC000621345265 370278545 /nfs/dbraw/zinc/27/85/45/370278545.db2.gz HEKKRIHIYWQOAX-RXMQYKEDSA-N 1 2 248.664 1.591 20 0 BDADLO Nc1nc[nH+]c(NCC[C@@H]2CC2(F)F)c1Cl ZINC000621345265 370278548 /nfs/dbraw/zinc/27/85/48/370278548.db2.gz HEKKRIHIYWQOAX-RXMQYKEDSA-N 1 2 248.664 1.591 20 0 BDADLO CCc1cc(NC[C@H](O)[C@H](C)CC)nc[nH+]1 ZINC000310018475 370288734 /nfs/dbraw/zinc/28/87/34/370288734.db2.gz LZLPDMGHTIGJPJ-KOLCDFICSA-N 1 2 223.320 1.858 20 0 BDADLO Cc1nc(NCC(C)(C)C(F)(F)F)nc(N)[nH+]1 ZINC000631274275 370305252 /nfs/dbraw/zinc/30/52/52/370305252.db2.gz VKSQVGVHLXYQRU-UHFFFAOYSA-N 1 2 249.240 1.015 20 0 BDADLO Cc1nc(N)nc(NCC(C)(C)C(F)(F)F)[nH+]1 ZINC000631274275 370305256 /nfs/dbraw/zinc/30/52/56/370305256.db2.gz VKSQVGVHLXYQRU-UHFFFAOYSA-N 1 2 249.240 1.015 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)s1 ZINC000621372713 370311490 /nfs/dbraw/zinc/31/14/90/370311490.db2.gz ZZKJJNGLCSARDK-SCZZXKLOSA-N 1 2 241.360 1.297 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)s1 ZINC000621372713 370311492 /nfs/dbraw/zinc/31/14/92/370311492.db2.gz ZZKJJNGLCSARDK-SCZZXKLOSA-N 1 2 241.360 1.297 20 0 BDADLO CCc1cc(NC[C@@](C)(O)CCOC)nc[nH+]1 ZINC000226530658 370351958 /nfs/dbraw/zinc/35/19/58/370351958.db2.gz KOHYKJLWKXXFBT-LBPRGKRZSA-N 1 2 239.319 1.238 20 0 BDADLO Cc1cc(NC(=O)NCC2CC(C)C2)cc[nH+]1 ZINC000621448877 370356656 /nfs/dbraw/zinc/35/66/56/370356656.db2.gz XHOIYUIQNCTVLR-UHFFFAOYSA-N 1 2 233.315 1.980 20 0 BDADLO CCN1OC[C@H]([N@@H+]2Cc3ccccc3[C@@H]2C)C1=O ZINC000621399805 370337018 /nfs/dbraw/zinc/33/70/18/370337018.db2.gz IKFPLJXIZHIZHX-GWCFXTLKSA-N 1 2 246.310 1.726 20 0 BDADLO CCN1OC[C@H]([N@H+]2Cc3ccccc3[C@@H]2C)C1=O ZINC000621399805 370337025 /nfs/dbraw/zinc/33/70/25/370337025.db2.gz IKFPLJXIZHIZHX-GWCFXTLKSA-N 1 2 246.310 1.726 20 0 BDADLO CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000568289305 326341607 /nfs/dbraw/zinc/34/16/07/326341607.db2.gz DWXVKPMMGSABIC-UHFFFAOYSA-N 1 2 217.272 1.783 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000621711895 370457057 /nfs/dbraw/zinc/45/70/57/370457057.db2.gz LLIJIMBFHDEOMD-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000621711895 370457060 /nfs/dbraw/zinc/45/70/60/370457060.db2.gz LLIJIMBFHDEOMD-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000621722240 370473325 /nfs/dbraw/zinc/47/33/25/370473325.db2.gz PHXNWFVKXZQGDX-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1nccnc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000621722240 370473330 /nfs/dbraw/zinc/47/33/30/370473330.db2.gz PHXNWFVKXZQGDX-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO Cn1cc(C[NH+]2CC(Cc3ccsc3)C2)nn1 ZINC000621741283 370501055 /nfs/dbraw/zinc/50/10/55/370501055.db2.gz KULGOBZFUWSZEC-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO CCc1cc(NC[C@@](C)(O)CSC)nc[nH+]1 ZINC000078022504 370515831 /nfs/dbraw/zinc/51/58/31/370515831.db2.gz KIMHUOLKEABNSV-LLVKDONJSA-N 1 2 241.360 1.565 20 0 BDADLO Cc1nccnc1C[N@H+](C1CC1)C1COC1 ZINC000621729139 370481679 /nfs/dbraw/zinc/48/16/79/370481679.db2.gz KNDYHKNSPVQVLN-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1nccnc1C[N@@H+](C1CC1)C1COC1 ZINC000621729139 370481681 /nfs/dbraw/zinc/48/16/81/370481681.db2.gz KNDYHKNSPVQVLN-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621736995 370493216 /nfs/dbraw/zinc/49/32/16/370493216.db2.gz JYBLXTUHXJCHNE-BXKDBHETSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621736995 370493218 /nfs/dbraw/zinc/49/32/18/370493218.db2.gz JYBLXTUHXJCHNE-BXKDBHETSA-N 1 2 223.320 1.168 20 0 BDADLO CN(CC(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000114125481 370546265 /nfs/dbraw/zinc/54/62/65/370546265.db2.gz DQYJDDVHMMZGQC-UHFFFAOYSA-N 1 2 244.298 1.162 20 0 BDADLO CCc1cc(NCC2(O)CCCC2)nc[nH+]1 ZINC000078597964 370579991 /nfs/dbraw/zinc/57/99/91/370579991.db2.gz YNYNALBSPHOSFO-UHFFFAOYSA-N 1 2 221.304 1.756 20 0 BDADLO CC(C)(C(=O)NCCC1CC1)c1c[nH]c[nH+]1 ZINC000621887848 370581341 /nfs/dbraw/zinc/58/13/41/370581341.db2.gz QDSXBHSYWUNUHE-UHFFFAOYSA-N 1 2 221.304 1.604 20 0 BDADLO CC(=O)Nc1cccc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000066972531 370621137 /nfs/dbraw/zinc/62/11/37/370621137.db2.gz PTYPOYWBXQQNLL-UHFFFAOYSA-N 1 2 244.298 1.658 20 0 BDADLO Cc1cc(CNc2nc(C)[nH+]c(N)n2)ccc1F ZINC000631047533 371052484 /nfs/dbraw/zinc/05/24/84/371052484.db2.gz SEUMCUCHWMVSOR-UHFFFAOYSA-N 1 2 247.277 1.074 20 0 BDADLO Cc1cc(CNc2nc(N)nc(C)[nH+]2)ccc1F ZINC000631047533 371052491 /nfs/dbraw/zinc/05/24/91/371052491.db2.gz SEUMCUCHWMVSOR-UHFFFAOYSA-N 1 2 247.277 1.074 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC2CCC2)c1 ZINC000622685807 371062647 /nfs/dbraw/zinc/06/26/47/371062647.db2.gz LHLWJEZWJQCPID-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CCCCc1cc(N[C@@H](C)CO)nc[nH+]1 ZINC000631050713 371108140 /nfs/dbraw/zinc/10/81/40/371108140.db2.gz KKXYIRRNZDZNNG-VIFPVBQESA-N 1 2 209.293 1.612 20 0 BDADLO CN(C)c1ccc(CNC(=O)C23CC(C2)C3)c[nH+]1 ZINC000623979048 371213328 /nfs/dbraw/zinc/21/33/28/371213328.db2.gz ORTBXPCFYHTDFN-UHFFFAOYSA-N 1 2 245.326 1.564 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(=O)[nH]c2)no1 ZINC000631066024 371260104 /nfs/dbraw/zinc/26/01/04/371260104.db2.gz RLGWAWKQIIIYFX-UHFFFAOYSA-N 1 2 248.286 1.504 20 0 BDADLO C[C@@H](CC(=O)NCCn1cc[nH+]c1)c1ccco1 ZINC000624075799 371293707 /nfs/dbraw/zinc/29/37/07/371293707.db2.gz ZUGUUVIJPJNCRH-NSHDSACASA-N 1 2 247.298 1.786 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[C@@H]1C)CC2 ZINC000624108841 371313005 /nfs/dbraw/zinc/31/30/05/371313005.db2.gz GSWOSUNNYWUPEO-MVWJERBFSA-N 1 2 247.342 1.526 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[C@H]1C)CC2 ZINC000624108843 371313423 /nfs/dbraw/zinc/31/34/23/371313423.db2.gz GSWOSUNNYWUPEO-YUSALJHKSA-N 1 2 247.342 1.526 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C12CC(C1)C2 ZINC000624155987 371351187 /nfs/dbraw/zinc/35/11/87/371351187.db2.gz LYPKXWURDAAXHK-BMQDGWLCSA-N 1 2 219.288 1.188 20 0 BDADLO C/C=C/CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000624166275 371360018 /nfs/dbraw/zinc/36/00/18/371360018.db2.gz VBNULNJSMNWHIH-FCVPOFOPSA-N 1 2 234.303 1.764 20 0 BDADLO CCCCc1cc(NC[C@H](C)COC)nc[nH+]1 ZINC000631075958 371361657 /nfs/dbraw/zinc/36/16/57/371361657.db2.gz UBJQEIIDOZUSLK-NSHDSACASA-N 1 2 237.347 1.936 20 0 BDADLO C[C@@H](CO)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631072111 371337736 /nfs/dbraw/zinc/33/77/36/371337736.db2.gz ULANUENUDGOIHA-MRVPVSSYSA-N 1 2 246.314 1.298 20 0 BDADLO CCCCc1cc(NCc2c[nH]nc2C)nc[nH+]1 ZINC000631072464 371338539 /nfs/dbraw/zinc/33/85/39/371338539.db2.gz FDNOXQSOBWFTKE-UHFFFAOYSA-N 1 2 245.330 1.885 20 0 BDADLO O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCc2[nH]c[nH+]c2C1 ZINC000627373072 371591007 /nfs/dbraw/zinc/59/10/07/371591007.db2.gz GONBUTGQXYFMLD-AXFHLTTASA-N 1 2 245.326 1.731 20 0 BDADLO O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCc2[nH+]c[nH]c2C1 ZINC000627373072 371591012 /nfs/dbraw/zinc/59/10/12/371591012.db2.gz GONBUTGQXYFMLD-AXFHLTTASA-N 1 2 245.326 1.731 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1CCc2[nH]c[nH+]c2C1 ZINC000627373085 371591088 /nfs/dbraw/zinc/59/10/88/371591088.db2.gz GWVIHSCPCVIXEU-GARJFASQSA-N 1 2 245.326 1.731 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1CCc2[nH+]c[nH]c2C1 ZINC000627373085 371591093 /nfs/dbraw/zinc/59/10/93/371591093.db2.gz GWVIHSCPCVIXEU-GARJFASQSA-N 1 2 245.326 1.731 20 0 BDADLO Cc1ccoc1CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373757 371592362 /nfs/dbraw/zinc/59/23/62/371592362.db2.gz ANEKSYWATWIVIK-UHFFFAOYSA-N 1 2 245.282 1.439 20 0 BDADLO Cc1ccoc1CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373757 371592372 /nfs/dbraw/zinc/59/23/72/371592372.db2.gz ANEKSYWATWIVIK-UHFFFAOYSA-N 1 2 245.282 1.439 20 0 BDADLO O=C([C@@H]1C[C@H]1C1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627374294 371592802 /nfs/dbraw/zinc/59/28/02/371592802.db2.gz PUJLDKLELHDWHS-WDEREUQCSA-N 1 2 245.326 1.731 20 0 BDADLO O=C([C@@H]1C[C@H]1C1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627374294 371592807 /nfs/dbraw/zinc/59/28/07/371592807.db2.gz PUJLDKLELHDWHS-WDEREUQCSA-N 1 2 245.326 1.731 20 0 BDADLO CCn1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)n1 ZINC000627466185 371639119 /nfs/dbraw/zinc/63/91/19/371639119.db2.gz ZBQWIZKVMHGUHV-SECBINFHSA-N 1 2 247.302 1.426 20 0 BDADLO CCO[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000627465915 371639401 /nfs/dbraw/zinc/63/94/01/371639401.db2.gz SCNRPANHOAECEO-SCZZXKLOSA-N 1 2 237.303 1.402 20 0 BDADLO CCO[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000627465914 371639454 /nfs/dbraw/zinc/63/94/54/371639454.db2.gz SCNRPANHOAECEO-PSASIEDQSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000227517528 371879086 /nfs/dbraw/zinc/87/90/86/371879086.db2.gz OPXPEBQMMDILLT-MXWKQRLJSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000058003172 371945242 /nfs/dbraw/zinc/94/52/42/371945242.db2.gz JOMOYTZVLMNROQ-SNVBAGLBSA-N 1 2 235.283 1.443 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000058003172 371945246 /nfs/dbraw/zinc/94/52/46/371945246.db2.gz JOMOYTZVLMNROQ-SNVBAGLBSA-N 1 2 235.283 1.443 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC13CC3)CC2 ZINC000627831958 372044539 /nfs/dbraw/zinc/04/45/39/372044539.db2.gz UUVJCQFUWHGCJA-QWRGUYRKSA-N 1 2 245.326 1.423 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)C(F)F ZINC000306710807 372058531 /nfs/dbraw/zinc/05/85/31/372058531.db2.gz NAYBCWLCVYIKLK-UHFFFAOYSA-N 1 2 200.188 1.902 20 0 BDADLO CCc1cc(N[C@H](C)C[S@@](C)=O)nc[nH+]1 ZINC000164200153 372119149 /nfs/dbraw/zinc/11/91/49/372119149.db2.gz FPDADIGZMAODTI-GLEZIHRCSA-N 1 2 227.333 1.218 20 0 BDADLO COc1ccc[nH+]c1NCC[C@]1(O)CCOC1 ZINC000404187182 372070155 /nfs/dbraw/zinc/07/01/55/372070155.db2.gz LKISQICUNBCMIX-LBPRGKRZSA-N 1 2 238.287 1.044 20 0 BDADLO CC(C)c1cc(N[C@@H](C)C[S@@](C)=O)nc[nH+]1 ZINC000164214352 372120971 /nfs/dbraw/zinc/12/09/71/372120971.db2.gz WVIXVYPSWLBIAQ-FVMDXXJSSA-N 1 2 241.360 1.779 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2cocn2)c1 ZINC000631204167 372214313 /nfs/dbraw/zinc/21/43/13/372214313.db2.gz YZFXYJMOAFJSST-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO Cc1nc(N2CCCC[C@H]2CC(C)C)nc(N)[nH+]1 ZINC000631163484 372214470 /nfs/dbraw/zinc/21/44/70/372214470.db2.gz PWGCCXWRYZUCHL-NSHDSACASA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N)nc(N2CCCC[C@H]2CC(C)C)[nH+]1 ZINC000631163484 372214477 /nfs/dbraw/zinc/21/44/77/372214477.db2.gz PWGCCXWRYZUCHL-NSHDSACASA-N 1 2 249.362 1.998 20 0 BDADLO Cc1ccsc1CCNc1nc(C)[nH+]c(N)n1 ZINC000631192677 372227029 /nfs/dbraw/zinc/22/70/29/372227029.db2.gz LWHFNCKLWHYKST-UHFFFAOYSA-N 1 2 249.343 1.039 20 0 BDADLO Cc1ccsc1CCNc1nc(N)nc(C)[nH+]1 ZINC000631192677 372227033 /nfs/dbraw/zinc/22/70/33/372227033.db2.gz LWHFNCKLWHYKST-UHFFFAOYSA-N 1 2 249.343 1.039 20 0 BDADLO C[C@@H]1OCC[C@@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000631204163 372233498 /nfs/dbraw/zinc/23/34/98/372233498.db2.gz YXEFDHGMZWKJTE-CABZTGNLSA-N 1 2 221.304 1.737 20 0 BDADLO Cc1nc(N2CC(C)(C)CC(C)(C)C2)nc(N)[nH+]1 ZINC000631205983 372235196 /nfs/dbraw/zinc/23/51/96/372235196.db2.gz CQYGNIFSUAYGSD-UHFFFAOYSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CC(C)(C)CC(C)(C)C2)[nH+]1 ZINC000631205983 372235204 /nfs/dbraw/zinc/23/52/04/372235204.db2.gz CQYGNIFSUAYGSD-UHFFFAOYSA-N 1 2 249.362 1.855 20 0 BDADLO CCCCc1cc(NCC(F)(F)CO)nc[nH+]1 ZINC000631208116 372236866 /nfs/dbraw/zinc/23/68/66/372236866.db2.gz YXEGAYQEENZTHE-UHFFFAOYSA-N 1 2 245.273 1.281 20 0 BDADLO Cc1nc(N[C@H]2C[C@H]2C2CCCCC2)nc(N)[nH+]1 ZINC000631131255 372205271 /nfs/dbraw/zinc/20/52/71/372205271.db2.gz VHPXVYVRXFKKLZ-QWRGUYRKSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@H]2C[C@H]2C2CCCCC2)[nH+]1 ZINC000631131255 372205275 /nfs/dbraw/zinc/20/52/75/372205275.db2.gz VHPXVYVRXFKKLZ-QWRGUYRKSA-N 1 2 247.346 1.973 20 0 BDADLO CON1CCC(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000631254135 372263157 /nfs/dbraw/zinc/26/31/57/372263157.db2.gz MMPJGCRMXTXEPD-UHFFFAOYSA-N 1 2 249.314 1.024 20 0 BDADLO OC[C@@H]1CN(c2cc3ccccc3c[nH+]2)C[C@@H]1O ZINC000631308266 372288772 /nfs/dbraw/zinc/28/87/72/372288772.db2.gz PKSQFXZUSOVHDM-STQMWFEESA-N 1 2 244.294 1.024 20 0 BDADLO Cc1nc(N[C@@H](C)c2cnccn2)cc[nH+]1 ZINC000631348032 372308211 /nfs/dbraw/zinc/30/82/11/372308211.db2.gz NIJNKZGBOKPSIH-QMMMGPOBSA-N 1 2 215.260 1.170 20 0 BDADLO Cc1cc(N[C@@H](C)c2cnccn2)nc[nH+]1 ZINC000631348037 372308459 /nfs/dbraw/zinc/30/84/59/372308459.db2.gz NNTBIEWVKDSBIT-VIFPVBQESA-N 1 2 215.260 1.748 20 0 BDADLO CCC1(CC)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631368329 372317268 /nfs/dbraw/zinc/31/72/68/372317268.db2.gz BYQOHXOCVNBFGT-UHFFFAOYSA-N 1 2 249.362 1.999 20 0 BDADLO CCC1(CC)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631368329 372317273 /nfs/dbraw/zinc/31/72/73/372317273.db2.gz BYQOHXOCVNBFGT-UHFFFAOYSA-N 1 2 249.362 1.999 20 0 BDADLO Cc1nc(N2CCC[C@@H](CCF)C2)nc(N)[nH+]1 ZINC000631370614 372319923 /nfs/dbraw/zinc/31/99/23/372319923.db2.gz QDVYBGKBZIBNDV-VIFPVBQESA-N 1 2 239.298 1.169 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](CCF)C2)[nH+]1 ZINC000631370614 372319927 /nfs/dbraw/zinc/31/99/27/372319927.db2.gz QDVYBGKBZIBNDV-VIFPVBQESA-N 1 2 239.298 1.169 20 0 BDADLO CC(C)(F)CNc1nc[nH+]c(N)c1Cl ZINC000631407614 372342096 /nfs/dbraw/zinc/34/20/96/372342096.db2.gz IIRJWLSPCMIPCU-UHFFFAOYSA-N 1 2 218.663 1.294 20 0 BDADLO CC(C)(F)CNc1[nH+]cnc(N)c1Cl ZINC000631407614 372342101 /nfs/dbraw/zinc/34/21/01/372342101.db2.gz IIRJWLSPCMIPCU-UHFFFAOYSA-N 1 2 218.663 1.294 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCCC12CC2 ZINC000631420996 372351701 /nfs/dbraw/zinc/35/17/01/372351701.db2.gz XIQZPFSZBYIWRF-MRVPVSSYSA-N 1 2 234.303 1.812 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCCC12CC2 ZINC000631420996 372351706 /nfs/dbraw/zinc/35/17/06/372351706.db2.gz XIQZPFSZBYIWRF-MRVPVSSYSA-N 1 2 234.303 1.812 20 0 BDADLO O[C@@H](CCNc1cc[nH+]c(C2CC2)n1)C(F)F ZINC000631463132 372376889 /nfs/dbraw/zinc/37/68/89/372376889.db2.gz ZLNAMVBTUQXASB-QMMMGPOBSA-N 1 2 243.257 1.204 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000631703391 372512922 /nfs/dbraw/zinc/51/29/22/372512922.db2.gz OTBRTQLAHQGZCG-PRLGWJNPSA-N 1 2 223.320 1.935 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000631703394 372513308 /nfs/dbraw/zinc/51/33/08/372513308.db2.gz OTBRTQLAHQGZCG-UJYYTQATSA-N 1 2 223.320 1.935 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCOC2(CCC2)C1 ZINC000281049454 181942166 /nfs/dbraw/zinc/94/21/66/181942166.db2.gz QRLHNPFETFHAMD-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO O=C(COc1cc[nH+]cc1)NCc1cccs1 ZINC000356103491 182004462 /nfs/dbraw/zinc/00/44/62/182004462.db2.gz YVCOSTHXYGLNCL-UHFFFAOYSA-N 1 2 248.307 1.838 20 0 BDADLO Cc1nocc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000632412100 372925269 /nfs/dbraw/zinc/92/52/69/372925269.db2.gz RRDRQGAHSGUKCB-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC(C1CCC1)C1CCC1 ZINC000286746443 182071141 /nfs/dbraw/zinc/07/11/41/182071141.db2.gz OBNWUIPPBJSFCY-UHFFFAOYSA-N 1 2 247.342 1.968 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCc1ccco1 ZINC000632819959 373167477 /nfs/dbraw/zinc/16/74/77/373167477.db2.gz AKOBTEWLZIVQTL-UHFFFAOYSA-N 1 2 248.286 1.387 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632986241 373243295 /nfs/dbraw/zinc/24/32/95/373243295.db2.gz VNDDFYUZVBDEGD-ZJUUUORDSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)O1 ZINC000633140069 373304564 /nfs/dbraw/zinc/30/45/64/373304564.db2.gz PYZYPMDOSLLMKN-FOGDFJRCSA-N 1 2 249.314 1.039 20 0 BDADLO O=C(NC1C[NH+](Cc2cccc(F)c2)C1)C1CC1 ZINC000297339173 182118469 /nfs/dbraw/zinc/11/84/69/182118469.db2.gz FMRYXDOKVYRZFQ-UHFFFAOYSA-N 1 2 248.301 1.536 20 0 BDADLO O=C(CNC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000180786628 182121089 /nfs/dbraw/zinc/12/10/89/182121089.db2.gz QTHRNBHXAILFKK-UHFFFAOYSA-N 1 2 243.266 1.043 20 0 BDADLO O=C(NCC(F)(F)F)[C@H]1CCc2[nH+]ccn2C1 ZINC000362981114 182123419 /nfs/dbraw/zinc/12/34/19/182123419.db2.gz XQDMLKGUQKONOK-ZETCQYMHSA-N 1 2 247.220 1.124 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2ncccc2F)c[nH+]1 ZINC000633388167 373514996 /nfs/dbraw/zinc/51/49/96/373514996.db2.gz ILSOQHGFQANUQK-SSDOTTSWSA-N 1 2 248.261 1.743 20 0 BDADLO CC1(C)C[C@H]([NH2+]CC(F)(F)CO)C(C)(C)O1 ZINC000184695372 205706008 /nfs/dbraw/zinc/70/60/08/205706008.db2.gz OAXCQHDLMMSSHG-QMMMGPOBSA-N 1 2 237.290 1.550 20 0 BDADLO O=C(NCCC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153082924 182154848 /nfs/dbraw/zinc/15/48/48/182154848.db2.gz UWGBEWMPQUHTIN-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO Cc1conc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000633650786 373661137 /nfs/dbraw/zinc/66/11/37/373661137.db2.gz YUJRKHHHBAXZNZ-MRVPVSSYSA-N 1 2 234.259 1.208 20 0 BDADLO CC(C)(F)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000633725847 373724826 /nfs/dbraw/zinc/72/48/26/373724826.db2.gz LQESZZVXTNTWAW-UHFFFAOYSA-N 1 2 249.289 1.741 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC12CC2 ZINC000633777559 373749015 /nfs/dbraw/zinc/74/90/15/373749015.db2.gz HSLYOKJOFVHFJU-LLVKDONJSA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC12CC2 ZINC000633777559 373749023 /nfs/dbraw/zinc/74/90/23/373749023.db2.gz HSLYOKJOFVHFJU-LLVKDONJSA-N 1 2 233.315 1.710 20 0 BDADLO O=C(NCCCF)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368456531 182166883 /nfs/dbraw/zinc/16/68/83/182166883.db2.gz ATTBFNWNSUKUQP-MRVPVSSYSA-N 1 2 225.267 1.305 20 0 BDADLO O=C(NCCCF)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000368456531 182166884 /nfs/dbraw/zinc/16/68/84/182166884.db2.gz ATTBFNWNSUKUQP-MRVPVSSYSA-N 1 2 225.267 1.305 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1=CCCCC1 ZINC000275798829 182178193 /nfs/dbraw/zinc/17/81/93/182178193.db2.gz ZVRVSPYOFQTUHN-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000634033492 373922628 /nfs/dbraw/zinc/92/26/28/373922628.db2.gz VKNURBXHYQEXTR-OPRDCNLKSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1[C@@H]2CCC[C@H]12 ZINC000178123629 182214607 /nfs/dbraw/zinc/21/46/07/182214607.db2.gz SQPRDCGESWYMEQ-ZACCUICWSA-N 1 2 219.288 1.045 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1C[C@H]2CCCC[C@H]21 ZINC000378032568 182215308 /nfs/dbraw/zinc/21/53/08/182215308.db2.gz CRCBHFJXOQRCKH-VXGBXAGGSA-N 1 2 248.330 1.467 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC1 ZINC000268591926 182264756 /nfs/dbraw/zinc/26/47/56/182264756.db2.gz SKSVULHMIRHAGV-UHFFFAOYSA-N 1 2 230.271 1.250 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364022443 182261816 /nfs/dbraw/zinc/26/18/16/182261816.db2.gz NLTLODUXVXKEHY-SNVBAGLBSA-N 1 2 245.282 1.355 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(F)cc1O ZINC000123772897 182273287 /nfs/dbraw/zinc/27/32/87/182273287.db2.gz LWOVYFIVQRCZDI-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)NC1CCC1 ZINC000264456194 182268210 /nfs/dbraw/zinc/26/82/10/182268210.db2.gz QKVAWCZHEOGCHC-UHFFFAOYSA-N 1 2 244.298 1.686 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCCSC ZINC000194415911 206090226 /nfs/dbraw/zinc/09/02/26/206090226.db2.gz RWOHLROQSGYAKF-UHFFFAOYSA-N 1 2 237.332 1.621 20 0 BDADLO O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCCC[NH2+]1 ZINC000238032692 182362488 /nfs/dbraw/zinc/36/24/88/182362488.db2.gz TWVMAZALXRPQIP-SNVBAGLBSA-N 1 2 245.286 1.039 20 0 BDADLO O=C(Nc1ccccc1Cl)[C@@H]1COCC[NH2+]1 ZINC000083872067 182377883 /nfs/dbraw/zinc/37/78/83/182377883.db2.gz UUKIZXKWBOTCDQ-JTQLQIEISA-N 1 2 240.690 1.267 20 0 BDADLO O=C(Nc1cccc(F)c1F)[C@H]1CSC[NH2+]1 ZINC000040230953 182370724 /nfs/dbraw/zinc/37/07/24/182370724.db2.gz MVVCKDGBGNATDW-MRVPVSSYSA-N 1 2 244.266 1.566 20 0 BDADLO O=C(Nc1ncccc1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000280140342 182399641 /nfs/dbraw/zinc/39/96/41/182399641.db2.gz HAGDIAHYERYTNG-SNVBAGLBSA-N 1 2 247.298 1.353 20 0 BDADLO O=C(Nc1ncccc1O)[C@H]1CCC[N@H+]1C1CC1 ZINC000280140342 182399643 /nfs/dbraw/zinc/39/96/43/182399643.db2.gz HAGDIAHYERYTNG-SNVBAGLBSA-N 1 2 247.298 1.353 20 0 BDADLO O=S(=O)(CC[NH+]1CCC1)c1ccccc1 ZINC000172063633 182889203 /nfs/dbraw/zinc/88/92/03/182889203.db2.gz OLWVLIHDVRZADZ-UHFFFAOYSA-N 1 2 225.313 1.166 20 0 BDADLO OC1CC[NH+](Cc2nccnc2Cl)CC1 ZINC000095078300 183030842 /nfs/dbraw/zinc/03/08/42/183030842.db2.gz PPMLODPQSYMCNS-UHFFFAOYSA-N 1 2 227.695 1.087 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000183866056 183033742 /nfs/dbraw/zinc/03/37/42/183033742.db2.gz JXOQVGBMVBKPSV-UHFFFAOYSA-N 1 2 241.241 1.280 20 0 BDADLO OCC1(CNc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301833644 183037316 /nfs/dbraw/zinc/03/73/16/183037316.db2.gz SGERMGHXALSFAF-UHFFFAOYSA-N 1 2 248.330 1.483 20 0 BDADLO OCC1(CNc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301833644 183037319 /nfs/dbraw/zinc/03/73/19/183037319.db2.gz SGERMGHXALSFAF-UHFFFAOYSA-N 1 2 248.330 1.483 20 0 BDADLO OCC[N@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000194860782 183064485 /nfs/dbraw/zinc/06/44/85/183064485.db2.gz KWMNHNOZEMBRSD-VIFPVBQESA-N 1 2 205.248 1.655 20 0 BDADLO OCC[N@@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000194860782 183064486 /nfs/dbraw/zinc/06/44/86/183064486.db2.gz KWMNHNOZEMBRSD-VIFPVBQESA-N 1 2 205.248 1.655 20 0 BDADLO OCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336165365 183076128 /nfs/dbraw/zinc/07/61/28/183076128.db2.gz QCQOOMZKQKXWNU-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO OCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336165365 183076132 /nfs/dbraw/zinc/07/61/32/183076132.db2.gz QCQOOMZKQKXWNU-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO OCCNc1[nH+]c2ccccc2n1CC1CC1 ZINC000268609629 183080948 /nfs/dbraw/zinc/08/09/48/183080948.db2.gz REHVTIYCRZGAGL-UHFFFAOYSA-N 1 2 231.299 1.851 20 0 BDADLO OC[C@@H](CC(F)F)Nc1cccc[nH+]1 ZINC000336665392 183105033 /nfs/dbraw/zinc/10/50/33/183105033.db2.gz VCZVBSYMIREEQN-SSDOTTSWSA-N 1 2 202.204 1.510 20 0 BDADLO OC[C@@H](CNc1cccc[nH+]1)c1cccnc1 ZINC000340904856 183105485 /nfs/dbraw/zinc/10/54/85/183105485.db2.gz URXKLJVHWKUONA-GFCCVEGCSA-N 1 2 229.283 1.665 20 0 BDADLO OC[C@H](CC(F)(F)F)[NH2+]Cc1cocn1 ZINC000336733394 183136304 /nfs/dbraw/zinc/13/63/04/183136304.db2.gz MHUSFMPRMBGNPL-LURJTMIESA-N 1 2 224.182 1.078 20 0 BDADLO OC[C@H]([NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000289523220 183140957 /nfs/dbraw/zinc/14/09/57/183140957.db2.gz ITYVFTITXWYLPD-NSHDSACASA-N 1 2 209.293 1.050 20 0 BDADLO OC[C@H]([NH2+]Cc1ncccn1)c1cccc(F)c1 ZINC000361750020 183141492 /nfs/dbraw/zinc/14/14/92/183141492.db2.gz WFUGQAVFZKZMLX-LBPRGKRZSA-N 1 2 247.273 1.439 20 0 BDADLO CCCCc1nc(C[N@H+](CC)CCCO)no1 ZINC000336711621 169025863 /nfs/dbraw/zinc/02/58/63/169025863.db2.gz RLEXDNRJLBKXNR-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCc1nc(C[N@@H+](CC)CCCO)no1 ZINC000336711621 169025864 /nfs/dbraw/zinc/02/58/64/169025864.db2.gz RLEXDNRJLBKXNR-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO OC[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000051886528 183123601 /nfs/dbraw/zinc/12/36/01/183123601.db2.gz NUYWQKDFUZYTNG-SECBINFHSA-N 1 2 217.272 1.382 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336066847 183124843 /nfs/dbraw/zinc/12/48/43/183124843.db2.gz XOSXTXFQNONANO-SSDOTTSWSA-N 1 2 232.736 1.611 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336066847 183124844 /nfs/dbraw/zinc/12/48/44/183124844.db2.gz XOSXTXFQNONANO-SSDOTTSWSA-N 1 2 232.736 1.611 20 0 BDADLO OC[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090804290 183125086 /nfs/dbraw/zinc/12/50/86/183125086.db2.gz CINNHXHESNKIEC-MRVPVSSYSA-N 1 2 246.232 1.919 20 0 BDADLO CCCCc1noc([C@@H](C)[N@H+](C)CCO)n1 ZINC000305740987 169030329 /nfs/dbraw/zinc/03/03/29/169030329.db2.gz NFMULZPUDGZFDH-SECBINFHSA-N 1 2 227.308 1.397 20 0 BDADLO CCCCc1noc([C@@H](C)[N@@H+](C)CCO)n1 ZINC000305740987 169030331 /nfs/dbraw/zinc/03/03/31/169030331.db2.gz NFMULZPUDGZFDH-SECBINFHSA-N 1 2 227.308 1.397 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1[C@H]1C=CCCC1 ZINC000366689580 183146798 /nfs/dbraw/zinc/14/67/98/183146798.db2.gz PNIDQYJTRSLNMM-VHSXEESVSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1[C@H]1C=CCCC1 ZINC000366689580 183146799 /nfs/dbraw/zinc/14/67/99/183146799.db2.gz PNIDQYJTRSLNMM-VHSXEESVSA-N 1 2 217.259 1.797 20 0 BDADLO OC[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000267919470 183153116 /nfs/dbraw/zinc/15/31/16/183153116.db2.gz CLNINACGQFXAOM-JTQLQIEISA-N 1 2 229.283 1.448 20 0 BDADLO OC[C@]1(F)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000338417202 183159363 /nfs/dbraw/zinc/15/93/63/183159363.db2.gz BUKVZQKGHOQLHE-LBPRGKRZSA-N 1 2 237.278 1.265 20 0 BDADLO OCc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)o1 ZINC000268822927 183165092 /nfs/dbraw/zinc/16/50/92/183165092.db2.gz IARLVYGYPQAGFU-GFCCVEGCSA-N 1 2 247.298 1.662 20 0 BDADLO OCc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)o1 ZINC000268822927 183165093 /nfs/dbraw/zinc/16/50/93/183165093.db2.gz IARLVYGYPQAGFU-GFCCVEGCSA-N 1 2 247.298 1.662 20 0 BDADLO O[C@@H](CN1CCC[C@H]1c1[nH]cc[nH+]1)C(F)(F)F ZINC000332409524 183176727 /nfs/dbraw/zinc/17/67/27/183176727.db2.gz NCQAMWNUOAPSTN-YUMQZZPRSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409524 183176730 /nfs/dbraw/zinc/17/67/30/183176730.db2.gz NCQAMWNUOAPSTN-YUMQZZPRSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H](C[N@H+]1CCC[C@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409524 183176731 /nfs/dbraw/zinc/17/67/31/183176731.db2.gz NCQAMWNUOAPSTN-YUMQZZPRSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H](C[N@@H+]1CCOCC12CCC2)C(F)(F)F ZINC000121787306 183178083 /nfs/dbraw/zinc/17/80/83/183178083.db2.gz CXPJCMBJOQCFAS-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@@H](C[N@H+]1CCOCC12CCC2)C(F)(F)F ZINC000121787306 183178087 /nfs/dbraw/zinc/17/80/87/183178087.db2.gz CXPJCMBJOQCFAS-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@@H](C[N@@H+]1CCOC[C@H]1C1CC1)C(F)(F)F ZINC000121854694 183178265 /nfs/dbraw/zinc/17/82/65/183178265.db2.gz HHJSVPRLKBIQTE-IUCAKERBSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](C[N@H+]1CCOC[C@H]1C1CC1)C(F)(F)F ZINC000121854694 183178267 /nfs/dbraw/zinc/17/82/67/183178267.db2.gz HHJSVPRLKBIQTE-IUCAKERBSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](CC[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000289405881 183174377 /nfs/dbraw/zinc/17/43/77/183174377.db2.gz HEKYODIUUNRZHB-ZDUSSCGKSA-N 1 2 231.299 1.623 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000374934393 183201185 /nfs/dbraw/zinc/20/11/85/183201185.db2.gz ZXGGEGUFOUQUFV-CYBMUJFWSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000374934393 183201188 /nfs/dbraw/zinc/20/11/88/183201188.db2.gz ZXGGEGUFOUQUFV-CYBMUJFWSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@@H]1C[N@H+](Cc2nccn2C(F)F)CC12CC2 ZINC000336461583 183205787 /nfs/dbraw/zinc/20/57/87/183205787.db2.gz NUIDCEZYNTVEKF-MRVPVSSYSA-N 1 2 243.257 1.235 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2nccn2C(F)F)CC12CC2 ZINC000336461583 183205789 /nfs/dbraw/zinc/20/57/89/183205789.db2.gz NUIDCEZYNTVEKF-MRVPVSSYSA-N 1 2 243.257 1.235 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC12CC2 ZINC000364320092 183206522 /nfs/dbraw/zinc/20/65/22/183206522.db2.gz VOIVHSYATGVTQT-MRVPVSSYSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC12CC2 ZINC000364320092 183206525 /nfs/dbraw/zinc/20/65/25/183206525.db2.gz VOIVHSYATGVTQT-MRVPVSSYSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000303993834 183193925 /nfs/dbraw/zinc/19/39/25/183193925.db2.gz OBZICJYXJGFQQW-SNVBAGLBSA-N 1 2 249.270 1.286 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000303993834 183193928 /nfs/dbraw/zinc/19/39/28/183193928.db2.gz OBZICJYXJGFQQW-SNVBAGLBSA-N 1 2 249.270 1.286 20 0 BDADLO CCCN(CC(=O)OCC)Cc1c[nH+]c[nH]1 ZINC000092380425 169101665 /nfs/dbraw/zinc/10/16/65/169101665.db2.gz NBTCVGTXXNKNMU-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCCN(CC(=O)OCC)Cc1c[nH]c[nH+]1 ZINC000092380425 169101667 /nfs/dbraw/zinc/10/16/67/169101667.db2.gz NBTCVGTXXNKNMU-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1cnn(C)c1 ZINC000050052005 169101716 /nfs/dbraw/zinc/10/17/16/169101716.db2.gz SPGSDCYTRHBWPL-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1cnn(C)c1 ZINC000050052005 169101718 /nfs/dbraw/zinc/10/17/18/169101718.db2.gz SPGSDCYTRHBWPL-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ncc(C)s1 ZINC000180443118 169096928 /nfs/dbraw/zinc/09/69/28/169096928.db2.gz DIWRQTHXEDIVNN-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ncc(C)s1 ZINC000180443118 169096932 /nfs/dbraw/zinc/09/69/32/169096932.db2.gz DIWRQTHXEDIVNN-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO O[C@@]1(C(F)F)CCN(c2cccc[nH+]2)C1 ZINC000336264251 183216620 /nfs/dbraw/zinc/21/66/20/183216620.db2.gz ZFWPDHXMOHNPTK-JTQLQIEISA-N 1 2 214.215 1.288 20 0 BDADLO CCCN(CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283363558 169110928 /nfs/dbraw/zinc/11/09/28/169110928.db2.gz DHUARLVJXNNHFX-AATRIKPKSA-N 1 2 207.277 1.681 20 0 BDADLO O[C@H]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000338834844 183235774 /nfs/dbraw/zinc/23/57/74/183235774.db2.gz HHTSGGBDXIWINX-NSHDSACASA-N 1 2 243.310 1.981 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000265579734 183236581 /nfs/dbraw/zinc/23/65/81/183236581.db2.gz MZCMVCAUWPSETH-UWVGGRQHSA-N 1 2 219.288 1.679 20 0 BDADLO CCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000376029701 169185112 /nfs/dbraw/zinc/18/51/12/169185112.db2.gz PTCNBRPNAPDWNR-UHFFFAOYSA-N 1 2 209.264 1.739 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2ccc3c(n2)CCCC3)n1 ZINC000277699924 183325377 /nfs/dbraw/zinc/32/53/77/183325377.db2.gz LJICAYLNPRWPBT-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@H](OCC3CC3)C2)n1 ZINC000376495959 183325759 /nfs/dbraw/zinc/32/57/59/183325759.db2.gz SRJFKCJEMQAGBK-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)n1 ZINC000376495959 183325761 /nfs/dbraw/zinc/32/57/61/183325761.db2.gz SRJFKCJEMQAGBK-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO c1c[nH+]c(COCc2ccc3c(c2)OCCO3)[nH]1 ZINC000272102907 183327570 /nfs/dbraw/zinc/32/75/70/183327570.db2.gz XEQNIYHUMUTKQK-UHFFFAOYSA-N 1 2 246.266 1.898 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000336544468 183310098 /nfs/dbraw/zinc/31/00/98/183310098.db2.gz BVOPAHKOVYMNQP-JTQLQIEISA-N 1 2 234.303 1.156 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000336544468 183310100 /nfs/dbraw/zinc/31/01/00/183310100.db2.gz BVOPAHKOVYMNQP-JTQLQIEISA-N 1 2 234.303 1.156 20 0 BDADLO O=C1N=NC2C[N@H+](C[C@H]3CC=CCC3)CCN12 ZINC000336544468 183310102 /nfs/dbraw/zinc/31/01/02/183310102.db2.gz BVOPAHKOVYMNQP-JTQLQIEISA-N 1 2 234.303 1.156 20 0 BDADLO O=C1N=NC2C[N@@H+](C[C@H]3CC=CCC3)CCN12 ZINC000336544468 183310104 /nfs/dbraw/zinc/31/01/04/183310104.db2.gz BVOPAHKOVYMNQP-JTQLQIEISA-N 1 2 234.303 1.156 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111277364 169223977 /nfs/dbraw/zinc/22/39/77/169223977.db2.gz HUPLQAYICYIRNX-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111277364 169223979 /nfs/dbraw/zinc/22/39/79/169223979.db2.gz HUPLQAYICYIRNX-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO c1cc([C@@H]2CCC[N@@H+](Cc3ccno3)C2)[nH]n1 ZINC000360536746 183342753 /nfs/dbraw/zinc/34/27/53/183342753.db2.gz LKIVABVPHGOFGI-SNVBAGLBSA-N 1 2 232.287 1.777 20 0 BDADLO c1cc([C@@H]2CCC[N@H+](Cc3ccno3)C2)[nH]n1 ZINC000360536746 183342756 /nfs/dbraw/zinc/34/27/56/183342756.db2.gz LKIVABVPHGOFGI-SNVBAGLBSA-N 1 2 232.287 1.777 20 0 BDADLO CCC[N@@H+]1CCN(c2ccc(C)o2)C(=O)C1 ZINC000369935199 169205815 /nfs/dbraw/zinc/20/58/15/169205815.db2.gz ULEVYYKASZAJJX-UHFFFAOYSA-N 1 2 222.288 1.647 20 0 BDADLO CCC[N@H+]1CCN(c2ccc(C)o2)C(=O)C1 ZINC000369935199 169205816 /nfs/dbraw/zinc/20/58/16/169205816.db2.gz ULEVYYKASZAJJX-UHFFFAOYSA-N 1 2 222.288 1.647 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3CCOC[C@@H]32)c[nH]1 ZINC000366492677 183347086 /nfs/dbraw/zinc/34/70/86/183347086.db2.gz WGQWNKCLSVQYOR-RYUDHWBXSA-N 1 2 222.288 1.004 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3CCOC[C@@H]32)c[nH]1 ZINC000366492677 183347087 /nfs/dbraw/zinc/34/70/87/183347087.db2.gz WGQWNKCLSVQYOR-RYUDHWBXSA-N 1 2 222.288 1.004 20 0 BDADLO c1snnc1C[NH2+]Cc1cccc2c1OCO2 ZINC000040667157 183351443 /nfs/dbraw/zinc/35/14/43/183351443.db2.gz DFIBVEZBIPEXRU-UHFFFAOYSA-N 1 2 249.295 1.557 20 0 BDADLO c1cc(C[NH2+]Cc2csnn2)cs1 ZINC000063152411 183352403 /nfs/dbraw/zinc/35/24/03/183352403.db2.gz COICIYHAKNPSKE-UHFFFAOYSA-N 1 2 211.315 1.889 20 0 BDADLO c1cc(NC[C@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000110278674 183357017 /nfs/dbraw/zinc/35/70/17/183357017.db2.gz RSBULJPDLBDGGI-SECBINFHSA-N 1 2 219.288 1.802 20 0 BDADLO c1ccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)nc1 ZINC000368327522 183393171 /nfs/dbraw/zinc/39/31/71/183393171.db2.gz GEWMALIEZHOERW-NWDGAFQWSA-N 1 2 204.273 1.097 20 0 BDADLO c1ccc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)nc1 ZINC000368327522 183393172 /nfs/dbraw/zinc/39/31/72/183393172.db2.gz GEWMALIEZHOERW-NWDGAFQWSA-N 1 2 204.273 1.097 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)CCn1cccn1 ZINC000119712999 169299655 /nfs/dbraw/zinc/29/96/55/169299655.db2.gz URKNDCIWVDWDRT-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)CCn1cccn1 ZINC000119712999 169299656 /nfs/dbraw/zinc/29/96/56/169299656.db2.gz URKNDCIWVDWDRT-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO CCCS(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000331293667 169333295 /nfs/dbraw/zinc/33/32/95/169333295.db2.gz BYWQVUKYOPDCOH-VIFPVBQESA-N 1 2 245.348 1.436 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338592207 169347833 /nfs/dbraw/zinc/34/78/33/169347833.db2.gz LBLYKCRABYGJKX-CMPLNLGQSA-N 1 2 247.310 1.125 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338592207 169347835 /nfs/dbraw/zinc/34/78/35/169347835.db2.gz LBLYKCRABYGJKX-CMPLNLGQSA-N 1 2 247.310 1.125 20 0 BDADLO CCC[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000114336115 169355636 /nfs/dbraw/zinc/35/56/36/169355636.db2.gz IJKZXNSFEPMGRZ-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CCC[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000359125769 169355943 /nfs/dbraw/zinc/35/59/43/169355943.db2.gz LUXPMKHNRCXFEH-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CCC[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000359125769 169355944 /nfs/dbraw/zinc/35/59/44/169355944.db2.gz LUXPMKHNRCXFEH-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336668006 183554800 /nfs/dbraw/zinc/55/48/00/183554800.db2.gz QQVLXNCYEDPUGE-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336668006 183554802 /nfs/dbraw/zinc/55/48/02/183554802.db2.gz QQVLXNCYEDPUGE-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C)C(=O)OC ZINC000336720845 169513676 /nfs/dbraw/zinc/51/36/76/169513676.db2.gz DEDLVUAZNJZYOT-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO O=C(CC[C@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000522251275 259622408 /nfs/dbraw/zinc/62/24/08/259622408.db2.gz PSZLINHWSZVJQC-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H]1CCCO1 ZINC000336420742 383839458 /nfs/dbraw/zinc/83/94/58/383839458.db2.gz LMERNWXOFWBGMS-ZUZCIYMTSA-N 1 2 231.361 1.008 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H]1CCCO1 ZINC000336420742 383839461 /nfs/dbraw/zinc/83/94/61/383839461.db2.gz LMERNWXOFWBGMS-ZUZCIYMTSA-N 1 2 231.361 1.008 20 0 BDADLO CC(C)(C)OC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000087781273 383863897 /nfs/dbraw/zinc/86/38/97/383863897.db2.gz KIWOWHRUCRISOL-UHFFFAOYSA-N 1 2 229.320 1.175 20 0 BDADLO C[C@H](C(=O)N1CCCC1(C)C)[NH+]1CCOCC1 ZINC000336448462 383906998 /nfs/dbraw/zinc/90/69/98/383906998.db2.gz SKPFZXDIGPYRPF-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCOCC1CC1 ZINC000088599871 383915921 /nfs/dbraw/zinc/91/59/21/383915921.db2.gz UZCURQGKOPWCNN-UHFFFAOYSA-N 1 2 223.320 1.279 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCOCC1CC1 ZINC000088599871 383915931 /nfs/dbraw/zinc/91/59/31/383915931.db2.gz UZCURQGKOPWCNN-UHFFFAOYSA-N 1 2 223.320 1.279 20 0 BDADLO COc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1O ZINC000088751512 383920879 /nfs/dbraw/zinc/92/08/79/383920879.db2.gz ZSZFKEPVKPAOIM-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO COc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1O ZINC000088751512 383920883 /nfs/dbraw/zinc/92/08/83/383920883.db2.gz ZSZFKEPVKPAOIM-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO CCO[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332409538 383928078 /nfs/dbraw/zinc/92/80/78/383928078.db2.gz NCVVTCOQJRBUNW-UWVGGRQHSA-N 1 2 237.303 1.498 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1nncn1C ZINC000037016701 383931778 /nfs/dbraw/zinc/93/17/78/383931778.db2.gz CVPGRXYQHKVBLN-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CC(C)c1nnc([C@H]2CCCC[N@@H+]2CCO)[nH]1 ZINC000408196777 383892772 /nfs/dbraw/zinc/89/27/72/383892772.db2.gz FOCGQJIQXBYVCL-SNVBAGLBSA-N 1 2 238.335 1.447 20 0 BDADLO CC(C)c1nnc([C@H]2CCCC[N@H+]2CCO)[nH]1 ZINC000408196777 383892778 /nfs/dbraw/zinc/89/27/78/383892778.db2.gz FOCGQJIQXBYVCL-SNVBAGLBSA-N 1 2 238.335 1.447 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@H]2CCCOC2)cc[nH+]1 ZINC000558399707 383981457 /nfs/dbraw/zinc/98/14/57/383981457.db2.gz SICKRLPJESXHPV-LBPRGKRZSA-N 1 2 249.314 1.455 20 0 BDADLO CC(C)(C)OCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000558486821 384038842 /nfs/dbraw/zinc/03/88/42/384038842.db2.gz CDGDJFGESCLIKT-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C)n2C)o1 ZINC000038097739 384069650 /nfs/dbraw/zinc/06/96/50/384069650.db2.gz YUDMQSYVMMYFRC-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC1=CCCC1 ZINC000647158010 384075385 /nfs/dbraw/zinc/07/53/85/384075385.db2.gz GXGHXOJUAYQMHE-UHFFFAOYSA-N 1 2 229.287 1.978 20 0 BDADLO Cc1csc(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000293786198 384117958 /nfs/dbraw/zinc/11/79/58/384117958.db2.gz WNSDKFYBXNCPQQ-UHFFFAOYSA-N 1 2 238.356 1.879 20 0 BDADLO COC1(C[NH+]2CC(F)C2)CCCCC1 ZINC000336544482 384101162 /nfs/dbraw/zinc/10/11/62/384101162.db2.gz GKODVPFMTZPSPE-UHFFFAOYSA-N 1 2 201.285 1.989 20 0 BDADLO COCc1noc([C@H](C)[NH+]2CCSCC2)n1 ZINC000091583878 384104531 /nfs/dbraw/zinc/10/45/31/384104531.db2.gz KJORSPYWJHPXGT-QMMMGPOBSA-N 1 2 243.332 1.326 20 0 BDADLO CN(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082276047 384093340 /nfs/dbraw/zinc/09/33/40/384093340.db2.gz RFLAEYOFZMTLSM-JTQLQIEISA-N 1 2 222.292 1.202 20 0 BDADLO c1cn(CCCNc2ccccn2)c[nH+]1 ZINC000005532877 384117722 /nfs/dbraw/zinc/11/77/22/384117722.db2.gz OLEOZVDSNPMANK-UHFFFAOYSA-N 1 2 202.261 1.780 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC23CCC3)n1C ZINC000336555636 384133178 /nfs/dbraw/zinc/13/31/78/384133178.db2.gz KQPXTQVGWYTDBB-UHFFFAOYSA-N 1 2 206.293 1.252 20 0 BDADLO Cc1nnc(C[N@H+]2CCC23CCC3)n1C ZINC000336555636 384133184 /nfs/dbraw/zinc/13/31/84/384133184.db2.gz KQPXTQVGWYTDBB-UHFFFAOYSA-N 1 2 206.293 1.252 20 0 BDADLO Cc1ccncc1C[NH+]1CCN(C)CC1 ZINC000091361895 384120499 /nfs/dbraw/zinc/12/04/99/384120499.db2.gz ARWDLHFUJLMMEI-UHFFFAOYSA-N 1 2 205.305 1.137 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000116269875 384126151 /nfs/dbraw/zinc/12/61/51/384126151.db2.gz TWBVAERRTMTVTQ-LLVKDONJSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000116269875 384126154 /nfs/dbraw/zinc/12/61/54/384126154.db2.gz TWBVAERRTMTVTQ-LLVKDONJSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000070651482 384130097 /nfs/dbraw/zinc/13/00/97/384130097.db2.gz VKJNZISSBDPDKH-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891665 384149926 /nfs/dbraw/zinc/14/99/26/384149926.db2.gz SYWBUPJZNJJTFC-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891665 384149933 /nfs/dbraw/zinc/14/99/33/384149933.db2.gz SYWBUPJZNJJTFC-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO O=C1C[N@H+](CCSc2ccccc2)CCN1 ZINC000079618282 384152098 /nfs/dbraw/zinc/15/20/98/384152098.db2.gz RPQRNIPCFCBCBO-UHFFFAOYSA-N 1 2 236.340 1.211 20 0 BDADLO O=C1C[N@@H+](CCSc2ccccc2)CCN1 ZINC000079618282 384152104 /nfs/dbraw/zinc/15/21/04/384152104.db2.gz RPQRNIPCFCBCBO-UHFFFAOYSA-N 1 2 236.340 1.211 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)C ZINC000040494210 384156205 /nfs/dbraw/zinc/15/62/05/384156205.db2.gz MTURJULBPQJGKQ-UHFFFAOYSA-N 1 2 219.292 1.821 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000080947063 384178515 /nfs/dbraw/zinc/17/85/15/384178515.db2.gz PGVUJFKHYXGLAF-MRVPVSSYSA-N 1 2 239.237 1.966 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC000080947063 384178521 /nfs/dbraw/zinc/17/85/21/384178521.db2.gz PGVUJFKHYXGLAF-MRVPVSSYSA-N 1 2 239.237 1.966 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](c3ccccc3)C2)[nH]1 ZINC000092618206 384185720 /nfs/dbraw/zinc/18/57/20/384185720.db2.gz LLYIZPDIBKJKKA-NSHDSACASA-N 1 2 244.298 1.088 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@H](c3ccccc3)C2)[nH]1 ZINC000092618206 384185721 /nfs/dbraw/zinc/18/57/21/384185721.db2.gz LLYIZPDIBKJKKA-NSHDSACASA-N 1 2 244.298 1.088 20 0 BDADLO Cc1nc(CC[N@H+]2CCOC[C@@H]2C)cs1 ZINC000119067024 384230888 /nfs/dbraw/zinc/23/08/88/384230888.db2.gz AAIOPSBMKSMEKX-VIFPVBQESA-N 1 2 226.345 1.715 20 0 BDADLO Cc1nc(CC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC000119067024 384230894 /nfs/dbraw/zinc/23/08/94/384230894.db2.gz AAIOPSBMKSMEKX-VIFPVBQESA-N 1 2 226.345 1.715 20 0 BDADLO CC1(C)C(C(=O)NCCn2cc[nH+]c2)C1(C)C ZINC000072908867 384237505 /nfs/dbraw/zinc/23/75/05/384237505.db2.gz CLCHGRSSMVBYKF-UHFFFAOYSA-N 1 2 235.331 1.682 20 0 BDADLO Cc1csc(CNc2ccc(CO)c[nH+]2)n1 ZINC000291536446 384215671 /nfs/dbraw/zinc/21/56/71/384215671.db2.gz KWFVKMAKTSXLOZ-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO Cc1cc(N(CCO)Cc2ccccc2)nc[nH+]1 ZINC000050514949 384216459 /nfs/dbraw/zinc/21/64/59/384216459.db2.gz PLBLKUDOAWFVPX-UHFFFAOYSA-N 1 2 243.310 1.784 20 0 BDADLO COC(=O)C[N@H+](Cc1ncccc1C)C(C)C ZINC000093191733 384221088 /nfs/dbraw/zinc/22/10/88/384221088.db2.gz JMNGLCPXFRELLQ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1ncccc1C)C(C)C ZINC000093191733 384221094 /nfs/dbraw/zinc/22/10/94/384221094.db2.gz JMNGLCPXFRELLQ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CN(C(=O)C[N@H+](C)Cc1cccnc1)C1CC1 ZINC000132316927 384224706 /nfs/dbraw/zinc/22/47/06/384224706.db2.gz VDNDQEBMRQOQHX-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN(C(=O)C[N@@H+](C)Cc1cccnc1)C1CC1 ZINC000132316927 384224710 /nfs/dbraw/zinc/22/47/10/384224710.db2.gz VDNDQEBMRQOQHX-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CC[C@@H](C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000642700757 384227943 /nfs/dbraw/zinc/22/79/43/384227943.db2.gz RXXQUUPXGGFHDD-NSHDSACASA-N 1 2 223.320 1.432 20 0 BDADLO CC[C@@H](C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000642700757 384227949 /nfs/dbraw/zinc/22/79/49/384227949.db2.gz RXXQUUPXGGFHDD-NSHDSACASA-N 1 2 223.320 1.432 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCCO2)c(C)[nH+]1 ZINC000119342374 384260245 /nfs/dbraw/zinc/26/02/45/384260245.db2.gz ZHZXHLCLKSNBSN-NSHDSACASA-N 1 2 220.272 1.816 20 0 BDADLO Cc1nn(C)cc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119354364 384262407 /nfs/dbraw/zinc/26/24/07/384262407.db2.gz YJPBVSSIBUTINR-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000119430148 384271727 /nfs/dbraw/zinc/27/17/27/384271727.db2.gz FPBOKUGSVWJBKT-GFCCVEGCSA-N 1 2 243.310 1.803 20 0 BDADLO CC(C)OCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560698198 384305876 /nfs/dbraw/zinc/30/58/76/384305876.db2.gz NEHPWOCNVLGTIT-SECBINFHSA-N 1 2 225.292 1.402 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)c1cccnc1)c1[nH]cc[nH+]1 ZINC000560698341 384305918 /nfs/dbraw/zinc/30/59/18/384305918.db2.gz KKIIGWBMTBZTRS-NXEZZACHSA-N 1 2 244.298 1.786 20 0 BDADLO CC[C@](C)(CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119829627 384308970 /nfs/dbraw/zinc/30/89/70/384308970.db2.gz MHBDJBAPTIHZPH-GFCCVEGCSA-N 1 2 237.303 1.673 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncc(F)cn1 ZINC000159223760 384310337 /nfs/dbraw/zinc/31/03/37/384310337.db2.gz SBBQGZVTCIEWJK-MRVPVSSYSA-N 1 2 221.239 1.313 20 0 BDADLO CC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000119932967 384317759 /nfs/dbraw/zinc/31/77/59/384317759.db2.gz WRASARIEBQKZGQ-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO Clc1cccc(C[N@@H+]2CCCOCC2)n1 ZINC000075675081 384320829 /nfs/dbraw/zinc/32/08/29/384320829.db2.gz MABZCOOEHUYZGF-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1cccc(C[N@H+]2CCCOCC2)n1 ZINC000075675081 384320832 /nfs/dbraw/zinc/32/08/32/384320832.db2.gz MABZCOOEHUYZGF-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO CSCCCN(C)c1nc[nH+]c(N)c1Cl ZINC000290514647 384285380 /nfs/dbraw/zinc/28/53/80/384285380.db2.gz BBJYGNNPVOKCSJ-UHFFFAOYSA-N 1 2 246.767 1.902 20 0 BDADLO CSCCCN(C)c1[nH+]cnc(N)c1Cl ZINC000290514647 384285388 /nfs/dbraw/zinc/28/53/88/384285388.db2.gz BBJYGNNPVOKCSJ-UHFFFAOYSA-N 1 2 246.767 1.902 20 0 BDADLO C[C@@H](CO)N(C)c1[nH+]c2ccccc2n1C ZINC000158996297 384294878 /nfs/dbraw/zinc/29/48/78/384294878.db2.gz CXPBTHYJCCYWCZ-VIFPVBQESA-N 1 2 219.288 1.390 20 0 BDADLO C[N@H+](CC[C@@H]1CCOC1=O)Cc1cscn1 ZINC000120255333 384341667 /nfs/dbraw/zinc/34/16/67/384341667.db2.gz FYWIELPDXFGJHB-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1cscn1 ZINC000120255333 384341672 /nfs/dbraw/zinc/34/16/72/384341672.db2.gz FYWIELPDXFGJHB-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO Cc1nc(NCCc2ccsc2)nc(N)[nH+]1 ZINC000304514685 384343969 /nfs/dbraw/zinc/34/39/69/384343969.db2.gz RMXUYLHDVHNFPC-UHFFFAOYSA-N 1 2 235.316 1.478 20 0 BDADLO Cc1nc(N)nc(NCCc2ccsc2)[nH+]1 ZINC000304514685 384343977 /nfs/dbraw/zinc/34/39/77/384343977.db2.gz RMXUYLHDVHNFPC-UHFFFAOYSA-N 1 2 235.316 1.478 20 0 BDADLO FC(F)O[C@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000558869037 384349791 /nfs/dbraw/zinc/34/97/91/384349791.db2.gz XNSGNSWTIUBBAW-ZETCQYMHSA-N 1 2 217.219 1.223 20 0 BDADLO CC(C)(NC(=O)CCn1cccn1)c1[nH]cc[nH+]1 ZINC000568070028 384355109 /nfs/dbraw/zinc/35/51/09/384355109.db2.gz XIKMIGMIGJFBIZ-UHFFFAOYSA-N 1 2 247.302 1.048 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C1CC1 ZINC000300361580 384356032 /nfs/dbraw/zinc/35/60/32/384356032.db2.gz BDKDCRNUFVRTQI-XRNSZHNASA-N 1 2 227.304 1.095 20 0 BDADLO CSCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000330363909 384363714 /nfs/dbraw/zinc/36/37/14/384363714.db2.gz YKBRAAZMKVYOHR-UHFFFAOYSA-N 1 2 215.322 1.566 20 0 BDADLO Fc1cccc(F)c1CC[NH+]1CCOCC1 ZINC000402004777 384393463 /nfs/dbraw/zinc/39/34/63/384393463.db2.gz HZZNUOBXNAGRRZ-UHFFFAOYSA-N 1 2 227.254 1.840 20 0 BDADLO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)OC ZINC000121049328 384394879 /nfs/dbraw/zinc/39/48/79/384394879.db2.gz FFEIGVGNWANTOU-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)OC ZINC000121049328 384394885 /nfs/dbraw/zinc/39/48/85/384394885.db2.gz FFEIGVGNWANTOU-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CC[N@H+](CCc1nccs1)[C@H]1CCOC1=O ZINC000121191824 384400553 /nfs/dbraw/zinc/40/05/53/384400553.db2.gz DOWBGHRJSUUYCG-VIFPVBQESA-N 1 2 240.328 1.323 20 0 BDADLO CC[N@@H+](CCc1nccs1)[C@H]1CCOC1=O ZINC000121191824 384400557 /nfs/dbraw/zinc/40/05/57/384400557.db2.gz DOWBGHRJSUUYCG-VIFPVBQESA-N 1 2 240.328 1.323 20 0 BDADLO C[C@@H]([NH2+]Cc1cccs1)c1ncn(C)n1 ZINC000275827567 384418672 /nfs/dbraw/zinc/41/86/72/384418672.db2.gz NULOVMBTXIUSBV-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CC(C)n1cc(C[NH+]2CC(C3CC3)C2)nn1 ZINC000643345106 384376230 /nfs/dbraw/zinc/37/62/30/384376230.db2.gz BKLCRKKMZZIKHQ-UHFFFAOYSA-N 1 2 220.320 1.701 20 0 BDADLO CCCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134742282 384385101 /nfs/dbraw/zinc/38/51/01/384385101.db2.gz QNTZCTWHKJIKKM-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO COC(=O)CCNC(=O)Nc1cc[nH+]cc1C ZINC000120932364 384389153 /nfs/dbraw/zinc/38/91/53/384389153.db2.gz HTTBEINCZCFPRD-UHFFFAOYSA-N 1 2 237.259 1.075 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000072804610 384390332 /nfs/dbraw/zinc/39/03/32/384390332.db2.gz RWBANIZCVBHGHZ-FOGDFJRCSA-N 1 2 232.283 1.896 20 0 BDADLO Cc1cc(C(=O)NCCCCn2cc[nH+]c2)[nH]n1 ZINC000066485034 384444738 /nfs/dbraw/zinc/44/47/38/384444738.db2.gz DPMLZEHFPSLANI-UHFFFAOYSA-N 1 2 247.302 1.125 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000082784231 384445008 /nfs/dbraw/zinc/44/50/08/384445008.db2.gz INUAHAKOWJDEJP-MNOVXSKESA-N 1 2 223.320 1.703 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000121695704 384433429 /nfs/dbraw/zinc/43/34/29/384433429.db2.gz GNSWIHLMUXUULZ-GHMZBOCLSA-N 1 2 249.314 1.937 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CO[C@@H](C)C1 ZINC000402121483 384498029 /nfs/dbraw/zinc/49/80/29/384498029.db2.gz DVUDDLSJPBFWTL-DTWKUNHWSA-N 1 2 208.261 1.680 20 0 BDADLO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000170184117 384500498 /nfs/dbraw/zinc/50/04/98/384500498.db2.gz RSICXLPYRJNTKZ-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO Cc1ccc(NC(=O)N2CCOCC2)c(C)[nH+]1 ZINC000122693174 384502632 /nfs/dbraw/zinc/50/26/32/384502632.db2.gz HPXIXOPCUMJSLI-UHFFFAOYSA-N 1 2 235.287 1.563 20 0 BDADLO CCn1c[nH+]cc1CNc1cccnc1 ZINC000085182944 384509569 /nfs/dbraw/zinc/50/95/69/384509569.db2.gz UQUQGGVVQSRCLX-UHFFFAOYSA-N 1 2 202.261 1.910 20 0 BDADLO C[N@H+](CCCO)Cc1nc(C(C)(C)C)no1 ZINC000300820773 384534829 /nfs/dbraw/zinc/53/48/29/384534829.db2.gz MVKCYNCJCZOZCW-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO C[N@@H+](CCCO)Cc1nc(C(C)(C)C)no1 ZINC000300820773 384534834 /nfs/dbraw/zinc/53/48/34/384534834.db2.gz MVKCYNCJCZOZCW-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[C@H](F)C1 ZINC000335099569 384547747 /nfs/dbraw/zinc/54/77/47/384547747.db2.gz WWIJIRKKQXFYRC-UWVGGRQHSA-N 1 2 239.294 1.565 20 0 BDADLO COC[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000082777031 134418125 /nfs/dbraw/zinc/41/81/25/134418125.db2.gz LHWRLRSDTZARIU-DTWKUNHWSA-N 1 2 217.309 1.341 20 0 BDADLO COC(=O)CSc1[nH+]cc2ccccn21 ZINC000097602112 384537148 /nfs/dbraw/zinc/53/71/48/384537148.db2.gz LTDWDWSFVGILGJ-UHFFFAOYSA-N 1 2 222.269 1.599 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000335092374 384537610 /nfs/dbraw/zinc/53/76/10/384537610.db2.gz AOSNPQMZFZDSGU-PWSUYJOCSA-N 1 2 235.331 1.863 20 0 BDADLO COC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccco1 ZINC000080239530 384540548 /nfs/dbraw/zinc/54/05/48/384540548.db2.gz NNCJXGHJHUMFFG-LLVKDONJSA-N 1 2 235.287 1.788 20 0 BDADLO Cc1ccncc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000354930670 384568378 /nfs/dbraw/zinc/56/83/78/384568378.db2.gz YVXCLMAGLSQNDN-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000049956397 384577590 /nfs/dbraw/zinc/57/75/90/384577590.db2.gz UUQBWSXSHKPLIK-JTQLQIEISA-N 1 2 237.299 1.689 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000049956397 384577595 /nfs/dbraw/zinc/57/75/95/384577595.db2.gz UUQBWSXSHKPLIK-JTQLQIEISA-N 1 2 237.299 1.689 20 0 BDADLO C[NH+]1CCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000080914943 384588756 /nfs/dbraw/zinc/58/87/56/384588756.db2.gz ZIMFHRBBMKIZJJ-UHFFFAOYSA-N 1 2 249.211 1.390 20 0 BDADLO Cn1cc[nH+]c1CNc1ccccc1CO ZINC000049754123 384564996 /nfs/dbraw/zinc/56/49/96/384564996.db2.gz BEOFICVXRCRJQR-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO Cc1ccn2c(CNCC(F)F)c[nH+]c2c1 ZINC000309723705 384566422 /nfs/dbraw/zinc/56/64/22/384566422.db2.gz XAIUZAKUQVYQMH-UHFFFAOYSA-N 1 2 225.242 1.997 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)n1cccc1 ZINC000531118071 384604937 /nfs/dbraw/zinc/60/49/37/384604937.db2.gz GUULHURZGCVNNV-JTQLQIEISA-N 1 2 246.314 1.787 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000561270105 384611933 /nfs/dbraw/zinc/61/19/33/384611933.db2.gz OVNBYXHGTBZXNH-UTUOFQBUSA-N 1 2 247.342 1.560 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)no1 ZINC000172655147 384616034 /nfs/dbraw/zinc/61/60/34/384616034.db2.gz NVDHZZJFKIUKKF-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)no1 ZINC000172655147 384616040 /nfs/dbraw/zinc/61/60/40/384616040.db2.gz NVDHZZJFKIUKKF-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCSC2)[nH]1 ZINC000428290373 384616287 /nfs/dbraw/zinc/61/62/87/384616287.db2.gz XLVDXNCNYXLSTJ-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCSC2)[nH]1 ZINC000428290373 384616291 /nfs/dbraw/zinc/61/62/91/384616291.db2.gz XLVDXNCNYXLSTJ-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081573376 384621477 /nfs/dbraw/zinc/62/14/77/384621477.db2.gz NWGXHKTWIQVUDW-GWCFXTLKSA-N 1 2 219.284 1.852 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081573376 384621482 /nfs/dbraw/zinc/62/14/82/384621482.db2.gz NWGXHKTWIQVUDW-GWCFXTLKSA-N 1 2 219.284 1.852 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cccnc2)n1 ZINC000309800514 384622770 /nfs/dbraw/zinc/62/27/70/384622770.db2.gz RBXGXOMQHDOVJI-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO CCCc1nc(C[N@H+](CC)CCO)cs1 ZINC000050105250 384594515 /nfs/dbraw/zinc/59/45/15/384594515.db2.gz XZSPJBKCFZYNFK-UHFFFAOYSA-N 1 2 228.361 1.910 20 0 BDADLO CCCc1nc(C[N@@H+](CC)CCO)cs1 ZINC000050105250 384594522 /nfs/dbraw/zinc/59/45/22/384594522.db2.gz XZSPJBKCFZYNFK-UHFFFAOYSA-N 1 2 228.361 1.910 20 0 BDADLO CC(C)Cc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000101543239 384676464 /nfs/dbraw/zinc/67/64/64/384676464.db2.gz KLQLYROMKCJILM-UHFFFAOYSA-N 1 2 246.354 1.817 20 0 BDADLO CC(C)Cc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000101543239 384676467 /nfs/dbraw/zinc/67/64/67/384676467.db2.gz KLQLYROMKCJILM-UHFFFAOYSA-N 1 2 246.354 1.817 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000048065567 384672057 /nfs/dbraw/zinc/67/20/57/384672057.db2.gz OOFSQUQBLOELRJ-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000048065567 384672061 /nfs/dbraw/zinc/67/20/61/384672061.db2.gz OOFSQUQBLOELRJ-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO Cn1ccnc1[C@@H]([NH2+]CCO)c1cccc(F)c1 ZINC000356983142 384672206 /nfs/dbraw/zinc/67/22/06/384672206.db2.gz PSFZLJXXFNOKKN-LBPRGKRZSA-N 1 2 249.289 1.231 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000428467385 384648482 /nfs/dbraw/zinc/64/84/82/384648482.db2.gz YKIFRUMSEZTGKU-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000428467385 384648485 /nfs/dbraw/zinc/64/84/85/384648485.db2.gz YKIFRUMSEZTGKU-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO C[C@@H](N[C@H]1CCn2cc[nH+]c21)C(F)F ZINC000306766869 384675870 /nfs/dbraw/zinc/67/58/70/384675870.db2.gz OMOOHGITRYKUSN-RQJHMYQMSA-N 1 2 201.220 1.571 20 0 BDADLO C[N@H+](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000102672560 384723001 /nfs/dbraw/zinc/72/30/01/384723001.db2.gz QNRZMNXIYXOTOS-SECBINFHSA-N 1 2 245.369 1.367 20 0 BDADLO C[N@@H+](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000102672560 384723008 /nfs/dbraw/zinc/72/30/08/384723008.db2.gz QNRZMNXIYXOTOS-SECBINFHSA-N 1 2 245.369 1.367 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)s1 ZINC000185428210 384723649 /nfs/dbraw/zinc/72/36/49/384723649.db2.gz KSONMAVBJZVJFP-AYVTZFPOSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@](C)=O)s1 ZINC000185428210 384723653 /nfs/dbraw/zinc/72/36/53/384723653.db2.gz KSONMAVBJZVJFP-AYVTZFPOSA-N 1 2 246.401 1.650 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362574324 384688336 /nfs/dbraw/zinc/68/83/36/384688336.db2.gz CXIGEMFSGZMCOZ-VXGBXAGGSA-N 1 2 239.315 1.049 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362574324 384688341 /nfs/dbraw/zinc/68/83/41/384688341.db2.gz CXIGEMFSGZMCOZ-VXGBXAGGSA-N 1 2 239.315 1.049 20 0 BDADLO C[N@@H+](Cc1cccnc1)C[C@H](O)C(F)(F)F ZINC000082680115 384701322 /nfs/dbraw/zinc/70/13/22/384701322.db2.gz WZGJDUKYPXUJSQ-VIFPVBQESA-N 1 2 234.221 1.437 20 0 BDADLO C[N@H+](Cc1cccnc1)C[C@H](O)C(F)(F)F ZINC000082680115 384701331 /nfs/dbraw/zinc/70/13/31/384701331.db2.gz WZGJDUKYPXUJSQ-VIFPVBQESA-N 1 2 234.221 1.437 20 0 BDADLO c1cc(C[NH2+]CCCOc2ccccc2)[nH]n1 ZINC000052092066 384714544 /nfs/dbraw/zinc/71/45/44/384714544.db2.gz LMKHWXTVJIVFNL-UHFFFAOYSA-N 1 2 231.299 1.968 20 0 BDADLO COC1(C(=O)N2CCn3cc(C)[nH+]c3C2)CCC1 ZINC000363703841 384715631 /nfs/dbraw/zinc/71/56/31/384715631.db2.gz VIJNOLMYMBLLKF-UHFFFAOYSA-N 1 2 249.314 1.103 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2C)o1 ZINC000173783014 384721215 /nfs/dbraw/zinc/72/12/15/384721215.db2.gz FCYKLZHJTUCOQB-QMMMGPOBSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2C)o1 ZINC000173783014 384721222 /nfs/dbraw/zinc/72/12/22/384721222.db2.gz FCYKLZHJTUCOQB-QMMMGPOBSA-N 1 2 212.318 1.920 20 0 BDADLO C[N@H+](Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000102672561 384722859 /nfs/dbraw/zinc/72/28/59/384722859.db2.gz QNRZMNXIYXOTOS-VIFPVBQESA-N 1 2 245.369 1.367 20 0 BDADLO C[N@@H+](Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000102672561 384722865 /nfs/dbraw/zinc/72/28/65/384722865.db2.gz QNRZMNXIYXOTOS-VIFPVBQESA-N 1 2 245.369 1.367 20 0 BDADLO O=C1C[N@H+](Cc2ccc3[nH]ccc3c2)CCN1 ZINC000643885623 384729995 /nfs/dbraw/zinc/72/99/95/384729995.db2.gz OONGFQCZAOBBJO-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCN1 ZINC000643885623 384730003 /nfs/dbraw/zinc/73/00/03/384730003.db2.gz OONGFQCZAOBBJO-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO CCc1cc(N)nc(S[C@@H](C)C(=O)OC)[nH+]1 ZINC000279012687 384732302 /nfs/dbraw/zinc/73/23/02/384732302.db2.gz AOVQJANQSTXGLB-LURJTMIESA-N 1 2 241.316 1.275 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000125607097 384732890 /nfs/dbraw/zinc/73/28/90/384732890.db2.gz JESCPLRTAFYJHN-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO COC[C@@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000117866961 384740681 /nfs/dbraw/zinc/74/06/81/384740681.db2.gz OAXBZDRQHFYBOV-VIFPVBQESA-N 1 2 225.292 1.019 20 0 BDADLO CCc1cc(N)nc(SCCC(C)(C)O)[nH+]1 ZINC000279065404 384773034 /nfs/dbraw/zinc/77/30/34/384773034.db2.gz JHHYLMJPQNANCW-UHFFFAOYSA-N 1 2 241.360 1.874 20 0 BDADLO CSC[C@@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000363769868 384816121 /nfs/dbraw/zinc/81/61/21/384816121.db2.gz RXEVBXQPAUJSIS-NSHDSACASA-N 1 2 249.339 1.669 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689773 384829214 /nfs/dbraw/zinc/82/92/14/384829214.db2.gz MMZXJWWQUMBAEV-MXWKQRLJSA-N 1 2 207.277 1.128 20 0 BDADLO c1cn(Cc2nc(-c3ccoc3)no2)c[nH+]1 ZINC000105607797 384789212 /nfs/dbraw/zinc/78/92/12/384789212.db2.gz UMRQKHOJIVQTTA-UHFFFAOYSA-N 1 2 216.200 1.574 20 0 BDADLO Nc1c(NCCC2CC2)[nH+]cnc1-n1cccn1 ZINC000163311017 384789392 /nfs/dbraw/zinc/78/93/92/384789392.db2.gz JJIGBNQQNNIQSB-UHFFFAOYSA-N 1 2 244.302 1.457 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1c1[nH+]cnc2c1cnn2C ZINC000185928209 384789885 /nfs/dbraw/zinc/78/98/85/384789885.db2.gz GGHPLVQZJBWUGG-ONGXEEELSA-N 1 2 245.330 1.988 20 0 BDADLO CCC(C)(C)OCCNc1nc(C)[nH+]c(N)n1 ZINC000308547132 384797697 /nfs/dbraw/zinc/79/76/97/384797697.db2.gz XMLUFTONOBMGLS-UHFFFAOYSA-N 1 2 239.323 1.379 20 0 BDADLO CCC(C)(C)OCCNc1nc(N)nc(C)[nH+]1 ZINC000308547132 384797704 /nfs/dbraw/zinc/79/77/04/384797704.db2.gz XMLUFTONOBMGLS-UHFFFAOYSA-N 1 2 239.323 1.379 20 0 BDADLO CCC(CC)[C@@H](O)CNc1cc(C)[nH+]cn1 ZINC000225745499 384886712 /nfs/dbraw/zinc/88/67/12/384886712.db2.gz QMIXPQHVHZABBA-NSHDSACASA-N 1 2 223.320 1.994 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000360176499 384890430 /nfs/dbraw/zinc/89/04/30/384890430.db2.gz WEDSZOKQUQBQHO-WDEREUQCSA-N 1 2 236.315 1.669 20 0 BDADLO CCOC(=O)C[N@H+](C)CCn1cc(Cl)cn1 ZINC000312892777 384859117 /nfs/dbraw/zinc/85/91/17/384859117.db2.gz XXHHQRCMKZIRPT-UHFFFAOYSA-N 1 2 245.710 1.031 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCn1cc(Cl)cn1 ZINC000312892777 384859125 /nfs/dbraw/zinc/85/91/25/384859125.db2.gz XXHHQRCMKZIRPT-UHFFFAOYSA-N 1 2 245.710 1.031 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000112552564 384860546 /nfs/dbraw/zinc/86/05/46/384860546.db2.gz IXAIIMUNGFXWJG-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000112552564 384860550 /nfs/dbraw/zinc/86/05/50/384860550.db2.gz IXAIIMUNGFXWJG-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO CC[C@H](C)[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000301271515 384868506 /nfs/dbraw/zinc/86/85/06/384868506.db2.gz XPGNGYZJIIGHAD-JOYOIKCWSA-N 1 2 223.320 1.994 20 0 BDADLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COC ZINC000127830546 384952737 /nfs/dbraw/zinc/95/27/37/384952737.db2.gz YBDLCLYGJHOEBI-LLVKDONJSA-N 1 2 248.326 1.996 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360183401 384900535 /nfs/dbraw/zinc/90/05/35/384900535.db2.gz KRBGFPOUVJRLRN-ZJUUUORDSA-N 1 2 239.319 1.287 20 0 BDADLO COCCC1CC[NH+](Cc2csnn2)CC1 ZINC000528577901 384904657 /nfs/dbraw/zinc/90/46/57/384904657.db2.gz SQYMBFCTOKLPQZ-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO CCOC(=O)c1noc(C[N@H+](CC)C2CC2)n1 ZINC000314289274 384907981 /nfs/dbraw/zinc/90/79/81/384907981.db2.gz XGRGSUZPZWHKKU-UHFFFAOYSA-N 1 2 239.275 1.231 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+](CC)C2CC2)n1 ZINC000314289274 384907989 /nfs/dbraw/zinc/90/79/89/384907989.db2.gz XGRGSUZPZWHKKU-UHFFFAOYSA-N 1 2 239.275 1.231 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000336272826 384918119 /nfs/dbraw/zinc/91/81/19/384918119.db2.gz CXOBQWQGDIFBJM-RYUDHWBXSA-N 1 2 247.404 1.788 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000336272826 384918127 /nfs/dbraw/zinc/91/81/27/384918127.db2.gz CXOBQWQGDIFBJM-RYUDHWBXSA-N 1 2 247.404 1.788 20 0 BDADLO CCN(CC)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000257709453 384924178 /nfs/dbraw/zinc/92/41/78/384924178.db2.gz SJQYQSNIPUTWFT-LLVKDONJSA-N 1 2 242.269 1.833 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(Br)cn1 ZINC000085191879 384926216 /nfs/dbraw/zinc/92/62/16/384926216.db2.gz JPTLROBIJLNISP-UHFFFAOYSA-N 1 2 241.092 1.427 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nccn1C(F)F ZINC000336168864 384934379 /nfs/dbraw/zinc/93/43/79/384934379.db2.gz DOWKRLAEOKQWTI-SFYZADRCSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nccn1C(F)F ZINC000336168864 384934384 /nfs/dbraw/zinc/93/43/84/384934384.db2.gz DOWKRLAEOKQWTI-SFYZADRCSA-N 1 2 231.246 1.233 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(CC)CC2)[nH+]1 ZINC000635979123 384941971 /nfs/dbraw/zinc/94/19/71/384941971.db2.gz YWZVLUZGKRHUAX-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO C[C@@H]1C[C@@H](Nc2ccc(N(C)CCO)c[nH+]2)[C@@H]1C ZINC000644541431 384946547 /nfs/dbraw/zinc/94/65/47/384946547.db2.gz FWUSYUMOWYVFGZ-NQBHXWOUSA-N 1 2 249.358 1.967 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1cncs1 ZINC000259765569 384967599 /nfs/dbraw/zinc/96/75/99/384967599.db2.gz RMPMBUZHWBTFFD-JTQLQIEISA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1cncs1 ZINC000259765569 384967604 /nfs/dbraw/zinc/96/76/04/384967604.db2.gz RMPMBUZHWBTFFD-JTQLQIEISA-N 1 2 240.328 1.323 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000559289482 384973041 /nfs/dbraw/zinc/97/30/41/384973041.db2.gz DKVQJNMERAOPLD-LLVKDONJSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000559289482 384973048 /nfs/dbraw/zinc/97/30/48/384973048.db2.gz DKVQJNMERAOPLD-LLVKDONJSA-N 1 2 226.707 1.956 20 0 BDADLO CCc1cc(N(C)[C@@H](C)C(=O)OC)cc[nH+]1 ZINC000260431458 384973262 /nfs/dbraw/zinc/97/32/62/384973262.db2.gz PYOXDYZUKNKPKU-VIFPVBQESA-N 1 2 222.288 1.642 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000559289483 384973900 /nfs/dbraw/zinc/97/39/00/384973900.db2.gz DKVQJNMERAOPLD-NSHDSACASA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000559289483 384973907 /nfs/dbraw/zinc/97/39/07/384973907.db2.gz DKVQJNMERAOPLD-NSHDSACASA-N 1 2 226.707 1.956 20 0 BDADLO CCC1(NC(=O)NCCn2cc[nH+]c2)CCC1 ZINC000175886052 384976505 /nfs/dbraw/zinc/97/65/05/384976505.db2.gz BUBQNIKEQSEZBG-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO CCSCC[C@@H](C)[N@H+](C)Cc1ncnn1C ZINC000177360180 384980499 /nfs/dbraw/zinc/98/04/99/384980499.db2.gz HPAQPGAAVZTLSW-SNVBAGLBSA-N 1 2 242.392 1.779 20 0 BDADLO CCSCC[C@@H](C)[N@@H+](C)Cc1ncnn1C ZINC000177360180 384980504 /nfs/dbraw/zinc/98/05/04/384980504.db2.gz HPAQPGAAVZTLSW-SNVBAGLBSA-N 1 2 242.392 1.779 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364098657 384984731 /nfs/dbraw/zinc/98/47/31/384984731.db2.gz UDGOGTDRZDROCY-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H](CO)C2)s1 ZINC000088094130 384987337 /nfs/dbraw/zinc/98/73/37/384987337.db2.gz MTOAWNRUYLJUFZ-JTQLQIEISA-N 1 2 241.356 1.504 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H](CO)C2)s1 ZINC000088094130 384987344 /nfs/dbraw/zinc/98/73/44/384987344.db2.gz MTOAWNRUYLJUFZ-JTQLQIEISA-N 1 2 241.356 1.504 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccns2)no1 ZINC000404421942 384991033 /nfs/dbraw/zinc/99/10/33/384991033.db2.gz SXECXMVLMDIRKS-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cnccn1 ZINC000516734455 384996115 /nfs/dbraw/zinc/99/61/15/384996115.db2.gz SSHJWGKQQSPNCK-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cnccn1 ZINC000516734455 384996123 /nfs/dbraw/zinc/99/61/23/384996123.db2.gz SSHJWGKQQSPNCK-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccccc1 ZINC000128113002 384996790 /nfs/dbraw/zinc/99/67/90/384996790.db2.gz AWPCFFFTUSWMFG-JTQLQIEISA-N 1 2 216.288 1.666 20 0 BDADLO Cc1cc(C)n(CC(=O)Nc2cc[nH+]cc2C)n1 ZINC000107289762 384963149 /nfs/dbraw/zinc/96/31/49/384963149.db2.gz AJMMQWMMXBUTQS-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO Cc1csc(=O)n1Cc1[nH+]cc(Cl)n1C ZINC000128865929 385083988 /nfs/dbraw/zinc/08/39/88/385083988.db2.gz RMKBPPGJLQJSKU-UHFFFAOYSA-N 1 2 243.719 1.653 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CC1 ZINC000177604471 385062234 /nfs/dbraw/zinc/06/22/34/385062234.db2.gz UIRZXAYKNOLERL-RYUDHWBXSA-N 1 2 233.315 1.436 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1CF ZINC000359547752 385063020 /nfs/dbraw/zinc/06/30/20/385063020.db2.gz SPKQOHLVJRVVBE-JTQLQIEISA-N 1 2 225.267 1.303 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1CF ZINC000359547752 385063026 /nfs/dbraw/zinc/06/30/26/385063026.db2.gz SPKQOHLVJRVVBE-JTQLQIEISA-N 1 2 225.267 1.303 20 0 BDADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ncc[nH]1 ZINC000150927700 385071836 /nfs/dbraw/zinc/07/18/36/385071836.db2.gz RVWKRHNUFSWISZ-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ncc[nH]1 ZINC000150927700 385071846 /nfs/dbraw/zinc/07/18/46/385071846.db2.gz RVWKRHNUFSWISZ-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2noc(C)n2)[C@H](C)C1 ZINC000407948349 385081274 /nfs/dbraw/zinc/08/12/74/385081274.db2.gz FZPDISIICURSSN-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2noc(C)n2)[C@H](C)C1 ZINC000407948349 385081281 /nfs/dbraw/zinc/08/12/81/385081281.db2.gz FZPDISIICURSSN-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569353520 385030494 /nfs/dbraw/zinc/03/04/94/385030494.db2.gz SQFDNTXROGFIKG-NXEZZACHSA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569353520 385030501 /nfs/dbraw/zinc/03/05/01/385030501.db2.gz SQFDNTXROGFIKG-NXEZZACHSA-N 1 2 239.319 1.130 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000336317824 385032177 /nfs/dbraw/zinc/03/21/77/385032177.db2.gz PZMJVLXSEKAAPZ-HTQZYQBOSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000336317824 385032181 /nfs/dbraw/zinc/03/21/81/385032181.db2.gz PZMJVLXSEKAAPZ-HTQZYQBOSA-N 1 2 241.253 1.409 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)o1 ZINC000128402871 385034646 /nfs/dbraw/zinc/03/46/46/385034646.db2.gz YEBONCGYEPJVNB-GFCCVEGCSA-N 1 2 225.288 1.035 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H](CO)C2)o1 ZINC000128402871 385034651 /nfs/dbraw/zinc/03/46/51/385034651.db2.gz YEBONCGYEPJVNB-GFCCVEGCSA-N 1 2 225.288 1.035 20 0 BDADLO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000262715816 385042169 /nfs/dbraw/zinc/04/21/69/385042169.db2.gz DNYBDRWLPNBIFR-DTWKUNHWSA-N 1 2 248.330 1.110 20 0 BDADLO CC[C@@H](NC(=O)c1ccncc1F)c1[nH]cc[nH+]1 ZINC000157209581 385108179 /nfs/dbraw/zinc/10/81/79/385108179.db2.gz ZLYTXAQEFXFTCF-SNVBAGLBSA-N 1 2 248.261 1.825 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1CC=CC1 ZINC000151595446 385120449 /nfs/dbraw/zinc/12/04/49/385120449.db2.gz NQDBMURLVBYDMH-UHFFFAOYSA-N 1 2 219.288 1.345 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@](C)(OC)C1CC1)C1CC1 ZINC000310568571 385121163 /nfs/dbraw/zinc/12/11/63/385121163.db2.gz YMOVKBCLHOGDHD-YPMHNXCESA-N 1 2 241.331 1.343 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000644677078 385090520 /nfs/dbraw/zinc/09/05/20/385090520.db2.gz HZDKEOGEJNWZBC-SNVBAGLBSA-N 1 2 231.303 1.701 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000644677078 385090526 /nfs/dbraw/zinc/09/05/26/385090526.db2.gz HZDKEOGEJNWZBC-SNVBAGLBSA-N 1 2 231.303 1.701 20 0 BDADLO CCC[C@H]([NH2+]CCC1(O)CCC1)C(=O)OCC ZINC000340623556 385092146 /nfs/dbraw/zinc/09/21/46/385092146.db2.gz OBBFMKBFJPJMRB-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ncn(C)n1 ZINC000279291197 385094069 /nfs/dbraw/zinc/09/40/69/385094069.db2.gz LCKZZBUCDIIVTP-ZYHUDNBSSA-N 1 2 246.314 1.199 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc2ccccn21 ZINC000157168706 385094288 /nfs/dbraw/zinc/09/42/88/385094288.db2.gz SBCWSRVPWDAJPA-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1CC12CC2 ZINC000424062050 385098384 /nfs/dbraw/zinc/09/83/84/385098384.db2.gz KFLVBZNQQIOTJF-JTQLQIEISA-N 1 2 234.303 1.125 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCO[C@@H](C)C1 ZINC000287475608 385105094 /nfs/dbraw/zinc/10/50/94/385105094.db2.gz JTQXBBZSNKFBNV-JTQLQIEISA-N 1 2 249.314 1.951 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000189750848 385183579 /nfs/dbraw/zinc/18/35/79/385183579.db2.gz BTKVXPOYXYVKNU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cncc(C)c1 ZINC000189750848 385183586 /nfs/dbraw/zinc/18/35/86/385183586.db2.gz BTKVXPOYXYVKNU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccc(CC[N@@H+](C)Cc2nnc[nH]2)cc1 ZINC000177145874 385187330 /nfs/dbraw/zinc/18/73/30/385187330.db2.gz ZLQSTFLLCNOEEN-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccc(CC[N@H+](C)Cc2nnc[nH]2)cc1 ZINC000177145874 385187337 /nfs/dbraw/zinc/18/73/37/385187337.db2.gz ZLQSTFLLCNOEEN-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1cncc(C[N@H+]2CCN(C)C(=O)C2(C)C)c1 ZINC000189920774 385197370 /nfs/dbraw/zinc/19/73/70/385197370.db2.gz OKDCBZJYNQJIBK-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN(C)C(=O)C2(C)C)c1 ZINC000189920774 385197372 /nfs/dbraw/zinc/19/73/72/385197372.db2.gz OKDCBZJYNQJIBK-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647056994 385197683 /nfs/dbraw/zinc/19/76/83/385197683.db2.gz FWQMYUZNVILOAY-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C)o1 ZINC000189937581 385199299 /nfs/dbraw/zinc/19/92/99/385199299.db2.gz HYLLSKZOBHGHEG-RKDXNWHRSA-N 1 2 235.291 1.523 20 0 BDADLO CO[C@H](C)C[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000304519714 385150031 /nfs/dbraw/zinc/15/00/31/385150031.db2.gz ACWBQCSNZLIUNX-SNVBAGLBSA-N 1 2 238.331 1.781 20 0 BDADLO CO[C@H](C)C[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000304519714 385150038 /nfs/dbraw/zinc/15/00/38/385150038.db2.gz ACWBQCSNZLIUNX-SNVBAGLBSA-N 1 2 238.331 1.781 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cccnc2)C[C@H](C)O1 ZINC000189462548 385159504 /nfs/dbraw/zinc/15/95/04/385159504.db2.gz FAFKBPJCIBPKET-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cccnc2)C[C@H](C)O1 ZINC000189462548 385159508 /nfs/dbraw/zinc/15/95/08/385159508.db2.gz FAFKBPJCIBPKET-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000178020962 385171675 /nfs/dbraw/zinc/17/16/75/385171675.db2.gz OVLKKRHPRMPRBY-NSHDSACASA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@](C)(O)C2)no1 ZINC000178020962 385171678 /nfs/dbraw/zinc/17/16/78/385171678.db2.gz OVLKKRHPRMPRBY-NSHDSACASA-N 1 2 225.292 1.150 20 0 BDADLO Cn1nncc1CNc1ccc([NH+](C)C)cc1 ZINC000157461685 385180424 /nfs/dbraw/zinc/18/04/24/385180424.db2.gz KDOQZTITJITLOI-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152750798 385207526 /nfs/dbraw/zinc/20/75/26/385207526.db2.gz ISTANKDZRIUBCI-GFCCVEGCSA-N 1 2 245.326 1.743 20 0 BDADLO CC(C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000308850288 385209243 /nfs/dbraw/zinc/20/92/43/385209243.db2.gz RAGCOLSJHZZYBG-UHFFFAOYSA-N 1 2 208.261 1.548 20 0 BDADLO NC(=O)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110111400 385212062 /nfs/dbraw/zinc/21/20/62/385212062.db2.gz ICSZYZCHOXXFEU-UHFFFAOYSA-N 1 2 246.314 1.056 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCOC[C@@H]1C ZINC000287645148 385221848 /nfs/dbraw/zinc/22/18/48/385221848.db2.gz VYKHTGSWBPFULB-JTQLQIEISA-N 1 2 249.314 1.951 20 0 BDADLO COC(=O)C[N@H+](C)Cc1csc(C)c1 ZINC000294801486 385226017 /nfs/dbraw/zinc/22/60/17/385226017.db2.gz LKULOILEEKMAOJ-UHFFFAOYSA-N 1 2 213.302 1.661 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1csc(C)c1 ZINC000294801486 385226022 /nfs/dbraw/zinc/22/60/22/385226022.db2.gz LKULOILEEKMAOJ-UHFFFAOYSA-N 1 2 213.302 1.661 20 0 BDADLO O=C(CC1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152987593 385228706 /nfs/dbraw/zinc/22/87/06/385228706.db2.gz AQYBIUFIRUVVNX-LBPRGKRZSA-N 1 2 245.326 1.577 20 0 BDADLO CCCCc1nc(C[N@H+](C)CCO)cs1 ZINC000063504049 385228741 /nfs/dbraw/zinc/22/87/41/385228741.db2.gz CINGHZWGMBDAAI-UHFFFAOYSA-N 1 2 228.361 1.910 20 0 BDADLO CCCCc1nc(C[N@@H+](C)CCO)cs1 ZINC000063504049 385228745 /nfs/dbraw/zinc/22/87/45/385228745.db2.gz CINGHZWGMBDAAI-UHFFFAOYSA-N 1 2 228.361 1.910 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@H]1c1ccccc1F ZINC000363511469 385308854 /nfs/dbraw/zinc/30/88/54/385308854.db2.gz MFUDQRRUWAUJIO-RYUDHWBXSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@H]1c1ccccc1F ZINC000363511469 385308860 /nfs/dbraw/zinc/30/88/60/385308860.db2.gz MFUDQRRUWAUJIO-RYUDHWBXSA-N 1 2 234.274 1.461 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1cn[nH]c1C ZINC000191570311 385308896 /nfs/dbraw/zinc/30/88/96/385308896.db2.gz ZPQKPPWKNCOLGQ-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1cn[nH]c1C ZINC000191570311 385308902 /nfs/dbraw/zinc/30/89/02/385308902.db2.gz ZPQKPPWKNCOLGQ-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COC(=O)CCCC(=O)Nc1cc[nH+]cc1C ZINC000131155466 385313742 /nfs/dbraw/zinc/31/37/42/385313742.db2.gz QVXDDSWMDXYKMM-UHFFFAOYSA-N 1 2 236.271 1.672 20 0 BDADLO CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154300442 385314702 /nfs/dbraw/zinc/31/47/02/385314702.db2.gz UIMFMLFREXGLRL-MRVPVSSYSA-N 1 2 249.314 1.552 20 0 BDADLO COC[C@@H]([NH2+]CCCC(C)C)C(=O)OC ZINC000308964181 385315864 /nfs/dbraw/zinc/31/58/64/385315864.db2.gz UDTQWZHCJUVBEW-SNVBAGLBSA-N 1 2 217.309 1.200 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(F)cc1Cl ZINC000191698106 385316540 /nfs/dbraw/zinc/31/65/40/385316540.db2.gz VVHJYUHUTMROFS-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(F)cc1Cl ZINC000191698106 385316546 /nfs/dbraw/zinc/31/65/46/385316546.db2.gz VVHJYUHUTMROFS-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO Cc1cc(C[N@H+](CC(N)=O)C(C)(C)C)no1 ZINC000131261088 385321377 /nfs/dbraw/zinc/32/13/77/385321377.db2.gz WWJLRDAHJYLTJB-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)no1 ZINC000131261088 385321383 /nfs/dbraw/zinc/32/13/83/385321383.db2.gz WWJLRDAHJYLTJB-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO CC1(C(=O)N2CCn3c[nH+]cc3C2)CCCC1 ZINC000290902970 385258616 /nfs/dbraw/zinc/25/86/16/385258616.db2.gz HOKQTALODARYKT-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO CC(=O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000370909777 385259781 /nfs/dbraw/zinc/25/97/81/385259781.db2.gz VUIMZKYEZQLILX-NSHDSACASA-N 1 2 223.272 1.632 20 0 BDADLO CC(=O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000370909777 385259787 /nfs/dbraw/zinc/25/97/87/385259787.db2.gz VUIMZKYEZQLILX-NSHDSACASA-N 1 2 223.272 1.632 20 0 BDADLO CN(CC1CC1)c1nc[nH+]c(N)c1Cl ZINC000227848341 385260632 /nfs/dbraw/zinc/26/06/32/385260632.db2.gz XSRBXTLJEQCAFG-UHFFFAOYSA-N 1 2 212.684 1.558 20 0 BDADLO CN(CC1CC1)c1[nH+]cnc(N)c1Cl ZINC000227848341 385260646 /nfs/dbraw/zinc/26/06/46/385260646.db2.gz XSRBXTLJEQCAFG-UHFFFAOYSA-N 1 2 212.684 1.558 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000334258345 385260953 /nfs/dbraw/zinc/26/09/53/385260953.db2.gz RRMCZZCYKUQWEE-GCZXYKMCSA-N 1 2 247.342 1.863 20 0 BDADLO COC[C@H]([NH2+]Cc1ccnn1C)c1ccco1 ZINC000177577590 385262835 /nfs/dbraw/zinc/26/28/35/385262835.db2.gz ODWGBCYLUKBNNM-NSHDSACASA-N 1 2 235.287 1.490 20 0 BDADLO O=C([C@H]1CC=CCC1)N1CCn2c[nH+]cc2C1 ZINC000290917651 385263312 /nfs/dbraw/zinc/26/33/12/385263312.db2.gz JXPIRWWDORTBHE-NSHDSACASA-N 1 2 231.299 1.582 20 0 BDADLO CC(C)(C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712463 385274468 /nfs/dbraw/zinc/27/44/68/385274468.db2.gz ZQDCHGWOYVPEHI-UHFFFAOYSA-N 1 2 246.314 1.932 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccon1 ZINC000308982212 385323151 /nfs/dbraw/zinc/32/31/51/385323151.db2.gz IOCLUJVFGCFNMZ-CAHLUQPWSA-N 1 2 224.182 1.248 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000308908132 385284305 /nfs/dbraw/zinc/28/43/05/385284305.db2.gz CZUTYQYVJHCXBX-HBNTYKKESA-N 1 2 209.289 1.326 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cs1 ZINC000131020868 385301115 /nfs/dbraw/zinc/30/11/15/385301115.db2.gz CCDRLTYCYRHTCF-VXJOIVPMSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cs1 ZINC000131020868 385301121 /nfs/dbraw/zinc/30/11/21/385301121.db2.gz CCDRLTYCYRHTCF-VXJOIVPMSA-N 1 2 246.401 1.650 20 0 BDADLO CC(C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193233461 385389448 /nfs/dbraw/zinc/38/94/48/385389448.db2.gz YFCPMCIFZVPXKR-JTQLQIEISA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193233461 385389452 /nfs/dbraw/zinc/38/94/52/385389452.db2.gz YFCPMCIFZVPXKR-JTQLQIEISA-N 1 2 223.320 1.893 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(C(F)F)CCCC1 ZINC000643992240 385359618 /nfs/dbraw/zinc/35/96/18/385359618.db2.gz BOYBUCNFUKLRNS-UHFFFAOYSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(C(F)F)CCCC1 ZINC000643992240 385359621 /nfs/dbraw/zinc/35/96/21/385359621.db2.gz BOYBUCNFUKLRNS-UHFFFAOYSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCCCC(=O)C1 ZINC000643992283 385359709 /nfs/dbraw/zinc/35/97/09/385359709.db2.gz MNCKDQONRCNJIA-JTQLQIEISA-N 1 2 249.314 1.565 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCCCC(=O)C1 ZINC000643992283 385359714 /nfs/dbraw/zinc/35/97/14/385359714.db2.gz MNCKDQONRCNJIA-JTQLQIEISA-N 1 2 249.314 1.565 20 0 BDADLO Cc1nc(N[C@H](C)Cn2ccnc2)c(C)c(C)[nH+]1 ZINC000359454946 385365226 /nfs/dbraw/zinc/36/52/26/385365226.db2.gz NGFNRHKIFBPOKS-SECBINFHSA-N 1 2 245.330 1.521 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCCCCO ZINC000192970378 385378839 /nfs/dbraw/zinc/37/88/39/385378839.db2.gz HBRITEGWJYBRQF-UHFFFAOYSA-N 1 2 237.303 1.674 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000179807066 385380945 /nfs/dbraw/zinc/38/09/45/385380945.db2.gz NXDLTRCETVTUHP-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1C ZINC000179807066 385380949 /nfs/dbraw/zinc/38/09/49/385380949.db2.gz NXDLTRCETVTUHP-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO C[C@H](CO)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000158999474 385384353 /nfs/dbraw/zinc/38/43/53/385384353.db2.gz LCORTAXYDBKSSX-MRVPVSSYSA-N 1 2 205.261 1.380 20 0 BDADLO C[C@H]1OCCN(Cc2[nH+]ccn2C)[C@H]1C ZINC000178585649 385393928 /nfs/dbraw/zinc/39/39/28/385393928.db2.gz YYGYTEPEVJWBPR-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(Cl)cs1 ZINC000194512316 385438610 /nfs/dbraw/zinc/43/86/10/385438610.db2.gz YGXUHSFXDAUEDK-UHFFFAOYSA-N 1 2 232.736 1.709 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(Cl)cs1 ZINC000194512316 385438613 /nfs/dbraw/zinc/43/86/13/385438613.db2.gz YGXUHSFXDAUEDK-UHFFFAOYSA-N 1 2 232.736 1.709 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000156184793 385439284 /nfs/dbraw/zinc/43/92/84/385439284.db2.gz IDHSTVNHMFWQOL-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cn2ccccc2n1 ZINC000156184793 385439291 /nfs/dbraw/zinc/43/92/91/385439291.db2.gz IDHSTVNHMFWQOL-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO CCC[C@@]1([NH2+]CC(=O)OCC)CCOC1 ZINC000309174258 385449494 /nfs/dbraw/zinc/44/94/94/385449494.db2.gz MCXSXCRCYJMGRU-LLVKDONJSA-N 1 2 215.293 1.098 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cnc(C)s1 ZINC000156445681 385452310 /nfs/dbraw/zinc/45/23/10/385452310.db2.gz RNWGDYPDKZNOEC-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cnc(C)s1 ZINC000156445681 385452313 /nfs/dbraw/zinc/45/23/13/385452313.db2.gz RNWGDYPDKZNOEC-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000182179326 385434583 /nfs/dbraw/zinc/43/45/83/385434583.db2.gz OBTIKKBKMSKZGE-KOLCDFICSA-N 1 2 217.309 1.343 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182270516 385436611 /nfs/dbraw/zinc/43/66/11/385436611.db2.gz WCLDDGSOGLVBRM-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC000179395623 385465214 /nfs/dbraw/zinc/46/52/14/385465214.db2.gz GHSHCIBEQGLEEC-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000179401845 385465939 /nfs/dbraw/zinc/46/59/39/385465939.db2.gz JJDHFRWRFOCBNK-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@H](C)C1 ZINC000179401845 385465943 /nfs/dbraw/zinc/46/59/43/385465943.db2.gz JJDHFRWRFOCBNK-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO CCOC(=O)CN(C)Cc1cccc2[nH+]ccn21 ZINC000179672905 385480914 /nfs/dbraw/zinc/48/09/14/385480914.db2.gz JXOXCATXFFVBGH-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)c(=O)[nH]1 ZINC000109889102 385490614 /nfs/dbraw/zinc/49/06/14/385490614.db2.gz JRIZQCAMNZMQHV-UHFFFAOYSA-N 1 2 245.238 1.036 20 0 BDADLO CC(C)c1noc(COCc2[nH]cc[nH+]2)n1 ZINC000180030240 385504272 /nfs/dbraw/zinc/50/42/72/385504272.db2.gz CRTWPZSWKVUHGN-UHFFFAOYSA-N 1 2 222.248 1.633 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000180014296 385504850 /nfs/dbraw/zinc/50/48/50/385504850.db2.gz BVKBGJDGLVKEIR-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000180014296 385504855 /nfs/dbraw/zinc/50/48/55/385504855.db2.gz BVKBGJDGLVKEIR-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cn1ncnc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000157559566 385507165 /nfs/dbraw/zinc/50/71/65/385507165.db2.gz UNUIPUVLKPQMOH-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1ncnc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000157559566 385507169 /nfs/dbraw/zinc/50/71/69/385507169.db2.gz UNUIPUVLKPQMOH-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CC[C@H]([NH2+]CC(CC)(CC)OC)C(=O)OC ZINC000309225940 385489503 /nfs/dbraw/zinc/48/95/03/385489503.db2.gz HOSHVYIMRFXDEG-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000277061979 385545618 /nfs/dbraw/zinc/54/56/18/385545618.db2.gz HXSBEKFLIDNJKN-STQMWFEESA-N 1 2 229.283 1.955 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ncn(C)n1 ZINC000282200494 385520856 /nfs/dbraw/zinc/52/08/56/385520856.db2.gz GTJKBFZUGCWPCW-NXEZZACHSA-N 1 2 246.314 1.933 20 0 BDADLO COC(=O)COC[C@H](C)Nc1ccc[nH+]c1C ZINC000294936007 385521784 /nfs/dbraw/zinc/52/17/84/385521784.db2.gz BMXTZHYNBWKIFR-VIFPVBQESA-N 1 2 238.287 1.380 20 0 BDADLO C/C=C/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000082257713 385551711 /nfs/dbraw/zinc/55/17/11/385551711.db2.gz WCXRMXNFHFJSCE-AOGGBPEJSA-N 1 2 233.315 1.912 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H]1CCCO ZINC000493197365 385554069 /nfs/dbraw/zinc/55/40/69/385554069.db2.gz YFJXYKQXMXKFLJ-GZTOBOFZSA-N 1 2 249.314 1.186 20 0 BDADLO Cc1cnn(CCC(=O)Nc2cc[nH+]cc2C)c1 ZINC000107289184 385561654 /nfs/dbraw/zinc/56/16/54/385561654.db2.gz AAUCCPHAXNLYNI-UHFFFAOYSA-N 1 2 244.298 1.924 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CC(C)(C)O ZINC000280817689 385606433 /nfs/dbraw/zinc/60/64/33/385606433.db2.gz HMPAYRKXMDPYJJ-UHFFFAOYSA-N 1 2 208.261 1.490 20 0 BDADLO Cc1cc(N2CC[C@@H](CCCO)C2)nc[nH+]1 ZINC000450952978 385600443 /nfs/dbraw/zinc/60/04/43/385600443.db2.gz JXHOOCHSNGLIAV-LLVKDONJSA-N 1 2 221.304 1.384 20 0 BDADLO Cc1cc(N2CC[C@H](CCCO)C2)nc[nH+]1 ZINC000450952979 385600684 /nfs/dbraw/zinc/60/06/84/385600684.db2.gz JXHOOCHSNGLIAV-NSHDSACASA-N 1 2 221.304 1.384 20 0 BDADLO CN(C)c1[nH+]cccc1CNc1ccc(F)cn1 ZINC000339976666 385602452 /nfs/dbraw/zinc/60/24/52/385602452.db2.gz YGGJEHXEMTXFON-UHFFFAOYSA-N 1 2 246.289 1.716 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCC[C@@H]1O ZINC000052007352 385604990 /nfs/dbraw/zinc/60/49/90/385604990.db2.gz NHOVTMXAPVEAFU-ZJUUUORDSA-N 1 2 247.302 1.079 20 0 BDADLO COC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C(=O)OC ZINC000309461088 385592189 /nfs/dbraw/zinc/59/21/89/385592189.db2.gz NWBRETGEMPBFDW-WDEREUQCSA-N 1 2 231.336 1.446 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2ccon2)cc1 ZINC000181970029 385624497 /nfs/dbraw/zinc/62/44/97/385624497.db2.gz QFUZNKYFLPRHEI-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2ccon2)cc1 ZINC000181970029 385624502 /nfs/dbraw/zinc/62/45/02/385624502.db2.gz QFUZNKYFLPRHEI-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2CC(C)(O)C2)c[nH+]1 ZINC000334742952 385624934 /nfs/dbraw/zinc/62/49/34/385624934.db2.gz OPADWNLSTSCKJE-UHFFFAOYSA-N 1 2 248.326 1.476 20 0 BDADLO O=C(C[N@H+]1CCc2ccc(F)cc2C1)N1CCC1 ZINC000269699979 385625677 /nfs/dbraw/zinc/62/56/77/385625677.db2.gz YDSNGLCWRDGQDA-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO O=C(C[N@@H+]1CCc2ccc(F)cc2C1)N1CCC1 ZINC000269699979 385625682 /nfs/dbraw/zinc/62/56/82/385625682.db2.gz YDSNGLCWRDGQDA-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO CCCCNc1cc(NCCCO)nc(N)[nH+]1 ZINC000281065585 385632706 /nfs/dbraw/zinc/63/27/06/385632706.db2.gz ZODSYTWWUPZUFB-UHFFFAOYSA-N 1 2 239.323 1.065 20 0 BDADLO CCCCNc1cc(NCCCO)[nH+]c(N)n1 ZINC000281065585 385632708 /nfs/dbraw/zinc/63/27/08/385632708.db2.gz ZODSYTWWUPZUFB-UHFFFAOYSA-N 1 2 239.323 1.065 20 0 BDADLO CCN(C)C(=O)CNc1[nH+]c2ccccc2n1C ZINC000229572016 385633820 /nfs/dbraw/zinc/63/38/20/385633820.db2.gz ZEVJYNLBZQIRCW-UHFFFAOYSA-N 1 2 246.314 1.464 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OC ZINC000336677556 385609437 /nfs/dbraw/zinc/60/94/37/385609437.db2.gz HWLGRMUFCRNITP-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)CC(C)C)c[nH+]1 ZINC000269877191 385641535 /nfs/dbraw/zinc/64/15/35/385641535.db2.gz WYNMZGZDAFWHJC-MRVPVSSYSA-N 1 2 209.293 1.883 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000366567343 385648178 /nfs/dbraw/zinc/64/81/78/385648178.db2.gz CIFQWKNFUHJRHD-PWSUYJOCSA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000366567343 385648180 /nfs/dbraw/zinc/64/81/80/385648180.db2.gz CIFQWKNFUHJRHD-PWSUYJOCSA-N 1 2 249.310 1.483 20 0 BDADLO CCCCCN1CC(=O)N[C@@H]1c1c[nH]c[nH+]1 ZINC000182317532 385657422 /nfs/dbraw/zinc/65/74/22/385657422.db2.gz DMFMYVBELNTRJT-NSHDSACASA-N 1 2 222.292 1.030 20 0 BDADLO CC(C)c1noc(C[NH+](C)C[C@@H]2CCCO2)n1 ZINC000052101901 385681524 /nfs/dbraw/zinc/68/15/24/385681524.db2.gz FNXVAFZMZGHICK-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO Cc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)o1 ZINC000270214058 385685417 /nfs/dbraw/zinc/68/54/17/385685417.db2.gz OKFNQKKUAZIVPC-GFCCVEGCSA-N 1 2 235.287 1.145 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCSCC(C)C)C1CC1 ZINC000309550267 385689387 /nfs/dbraw/zinc/68/93/87/385689387.db2.gz IBDWJGYAJKIDDY-NSHDSACASA-N 1 2 245.388 1.917 20 0 BDADLO C[C@@H]1NC(=O)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000281657101 385690393 /nfs/dbraw/zinc/69/03/93/385690393.db2.gz OFHSHAMJJTZNIZ-WCBMZHEXSA-N 1 2 246.314 1.433 20 0 BDADLO Cc1[nH]c(C(=O)NCCSCC(C)C)c[nH+]1 ZINC000270280881 385691332 /nfs/dbraw/zinc/69/13/32/385691332.db2.gz YIKSIGWRVDTYJV-UHFFFAOYSA-N 1 2 241.360 1.837 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000337500255 385694074 /nfs/dbraw/zinc/69/40/74/385694074.db2.gz VIXPTZKCQAVHNE-UBHAPETDSA-N 1 2 234.299 1.564 20 0 BDADLO Cc1cnc(N(C)CCCn2cc[nH+]c2)nc1 ZINC000270313861 385696361 /nfs/dbraw/zinc/69/63/61/385696361.db2.gz UAANAFSNHPITKH-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1[nH]ncc1C ZINC000336724536 385709862 /nfs/dbraw/zinc/70/98/62/385709862.db2.gz FYIYTDMRKLRCGB-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1n[nH]cc1C ZINC000336724536 385709867 /nfs/dbraw/zinc/70/98/67/385709867.db2.gz FYIYTDMRKLRCGB-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000281949119 385716119 /nfs/dbraw/zinc/71/61/19/385716119.db2.gz AKXIJBIYABASIT-JTQLQIEISA-N 1 2 245.369 1.367 20 0 BDADLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000281949119 385716122 /nfs/dbraw/zinc/71/61/22/385716122.db2.gz AKXIJBIYABASIT-JTQLQIEISA-N 1 2 245.369 1.367 20 0 BDADLO Cn1cc(Cl)cc1C[N@H+](C)CC1OCCO1 ZINC000182454681 385671102 /nfs/dbraw/zinc/67/11/02/385671102.db2.gz PEPNGRAWDQTXOV-UHFFFAOYSA-N 1 2 244.722 1.483 20 0 BDADLO Cn1cc(Cl)cc1C[N@@H+](C)CC1OCCO1 ZINC000182454681 385671105 /nfs/dbraw/zinc/67/11/05/385671105.db2.gz PEPNGRAWDQTXOV-UHFFFAOYSA-N 1 2 244.722 1.483 20 0 BDADLO O=C(COC(F)F)Nc1c[nH+]c2n1CCCC2 ZINC000452335113 385741068 /nfs/dbraw/zinc/74/10/68/385741068.db2.gz XWUNJLHJIJZYQY-UHFFFAOYSA-N 1 2 245.229 1.397 20 0 BDADLO Cn1ccc(C[NH2+][C@@H](CO)c2ccsc2)n1 ZINC000336696775 385746571 /nfs/dbraw/zinc/74/65/71/385746571.db2.gz MAJHXPPBDPLAHM-NSHDSACASA-N 1 2 237.328 1.305 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000294014857 385786385 /nfs/dbraw/zinc/78/63/85/385786385.db2.gz UNCOCNIZPLOVGJ-SSDOTTSWSA-N 1 2 231.242 1.483 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294014857 385786387 /nfs/dbraw/zinc/78/63/87/385786387.db2.gz UNCOCNIZPLOVGJ-SSDOTTSWSA-N 1 2 231.242 1.483 20 0 BDADLO CC(=O)CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000282432100 385760715 /nfs/dbraw/zinc/76/07/15/385760715.db2.gz ZAVYUPBNQXBAAC-NSHDSACASA-N 1 2 249.314 1.485 20 0 BDADLO COC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000309646553 385763940 /nfs/dbraw/zinc/76/39/40/385763940.db2.gz MNCOXTAZLLKOFN-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO COC[C@@H]([NH2+]C1CCC(C)CC1)C(=O)OC ZINC000309642848 385765246 /nfs/dbraw/zinc/76/52/46/385765246.db2.gz LDTMMNOBIGCSCG-VQXHTEKXSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](C)CCO ZINC000270992520 385766786 /nfs/dbraw/zinc/76/67/86/385766786.db2.gz CAJMFPNSUXEUCO-SECBINFHSA-N 1 2 237.303 1.530 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cnnn1C ZINC000271036842 385775139 /nfs/dbraw/zinc/77/51/39/385775139.db2.gz LIKYXQVMHOZHTB-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnnn1C ZINC000271036842 385775146 /nfs/dbraw/zinc/77/51/46/385775146.db2.gz LIKYXQVMHOZHTB-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO CC(C)C(=O)N1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000271038205 385776015 /nfs/dbraw/zinc/77/60/15/385776015.db2.gz MGCMXSVVXZUCDB-UHFFFAOYSA-N 1 2 249.358 1.325 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)[C@H](C)O ZINC000271114253 385787828 /nfs/dbraw/zinc/78/78/28/385787828.db2.gz HDDFDPSRGUJXSM-VIFPVBQESA-N 1 2 237.303 1.671 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ncn(C)n1 ZINC000309591730 385720833 /nfs/dbraw/zinc/72/08/33/385720833.db2.gz VAPNTJRWTKMBPX-UWVGGRQHSA-N 1 2 224.308 1.035 20 0 BDADLO COC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000270601495 385721987 /nfs/dbraw/zinc/72/19/87/385721987.db2.gz WARHISKSNROUDQ-SNVBAGLBSA-N 1 2 247.298 1.415 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335493036 385723055 /nfs/dbraw/zinc/72/30/55/385723055.db2.gz CIKDNFIZMKMBQD-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335493036 385723060 /nfs/dbraw/zinc/72/30/60/385723060.db2.gz CIKDNFIZMKMBQD-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)o1 ZINC000271181731 385801163 /nfs/dbraw/zinc/80/11/63/385801163.db2.gz HVIAEPVLCGPCOX-UVWXRNBGSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)o1 ZINC000271181731 385801166 /nfs/dbraw/zinc/80/11/66/385801166.db2.gz HVIAEPVLCGPCOX-UVWXRNBGSA-N 1 2 241.356 1.929 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000271218384 385805004 /nfs/dbraw/zinc/80/50/04/385805004.db2.gz YBIHKSJQKHPQHO-GFCCVEGCSA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000271218384 385805010 /nfs/dbraw/zinc/80/50/10/385805010.db2.gz YBIHKSJQKHPQHO-GFCCVEGCSA-N 1 2 236.315 1.505 20 0 BDADLO Cc1ccc([C@@H](O)C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC000283043592 385806306 /nfs/dbraw/zinc/80/63/06/385806306.db2.gz JAOOVQFSPVJYJC-WFASDCNBSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccc([C@@H](O)C[N@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC000283043592 385806311 /nfs/dbraw/zinc/80/63/11/385806311.db2.gz JAOOVQFSPVJYJC-WFASDCNBSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000271219494 385806285 /nfs/dbraw/zinc/80/62/85/385806285.db2.gz YHSXXBSITKNKCK-GDLVEWKHSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000271219494 385806287 /nfs/dbraw/zinc/80/62/87/385806287.db2.gz YHSXXBSITKNKCK-GDLVEWKHSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)[nH]n1 ZINC000283096482 385807073 /nfs/dbraw/zinc/80/70/73/385807073.db2.gz UGVWXUAGBOXMMQ-JTQLQIEISA-N 1 2 247.302 1.568 20 0 BDADLO CCC[C@@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000231662207 385811356 /nfs/dbraw/zinc/81/13/56/385811356.db2.gz JHLWURLIUYNACS-PSASIEDQSA-N 1 2 231.303 1.964 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000294144751 385812161 /nfs/dbraw/zinc/81/21/61/385812161.db2.gz UZOITPLBHJTCHE-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C/C=C/Cl)C2)o1 ZINC000284240990 385857155 /nfs/dbraw/zinc/85/71/55/385857155.db2.gz KUNULVVLMOWVJU-KHVHVRLGSA-N 1 2 243.694 1.295 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](C/C=C/Cl)C2)o1 ZINC000284240990 385857161 /nfs/dbraw/zinc/85/71/61/385857161.db2.gz KUNULVVLMOWVJU-KHVHVRLGSA-N 1 2 243.694 1.295 20 0 BDADLO COC(=O)C[N@H+](Cc1ccn(C)c1)C1CC1 ZINC000271295964 385815214 /nfs/dbraw/zinc/81/52/14/385815214.db2.gz SJNRHHUJCFRPFW-UHFFFAOYSA-N 1 2 222.288 1.163 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccn(C)c1)C1CC1 ZINC000271295964 385815219 /nfs/dbraw/zinc/81/52/19/385815219.db2.gz SJNRHHUJCFRPFW-UHFFFAOYSA-N 1 2 222.288 1.163 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccon1 ZINC000337858047 385816339 /nfs/dbraw/zinc/81/63/39/385816339.db2.gz HVFHYDKMXIGCRV-SSDOTTSWSA-N 1 2 244.258 1.524 20 0 BDADLO CCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271311510 385816870 /nfs/dbraw/zinc/81/68/70/385816870.db2.gz LZEJWGKNLMIBKX-UHFFFAOYSA-N 1 2 230.271 1.359 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@](C)(F)C1 ZINC000337878998 385819710 /nfs/dbraw/zinc/81/97/10/385819710.db2.gz SPIAWEXAGJUDOI-NSHDSACASA-N 1 2 235.266 1.302 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283517497 385821279 /nfs/dbraw/zinc/82/12/79/385821279.db2.gz QGKLUNXKEHXVEO-PORFMDCZSA-N 1 2 221.304 1.926 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1cscn1)OC ZINC000412978030 385824573 /nfs/dbraw/zinc/82/45/73/385824573.db2.gz OTPZCCPPKBDBKS-JTQLQIEISA-N 1 2 214.334 2.000 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1cscn1)OC ZINC000412978030 385824576 /nfs/dbraw/zinc/82/45/76/385824576.db2.gz OTPZCCPPKBDBKS-JTQLQIEISA-N 1 2 214.334 2.000 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc[nH]1)C(=O)Nc1ccccc1 ZINC000112099869 385831939 /nfs/dbraw/zinc/83/19/39/385831939.db2.gz TWLXGSIUDUBSEZ-SNVBAGLBSA-N 1 2 244.298 1.527 20 0 BDADLO CC[C@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336738271 385834843 /nfs/dbraw/zinc/83/48/43/385834843.db2.gz RCAZITQETVPYHH-YUMQZZPRSA-N 1 2 210.281 1.179 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CC1(F)F ZINC000294376907 385842803 /nfs/dbraw/zinc/84/28/03/385842803.db2.gz CKSDBQJQKVBIIM-ZETCQYMHSA-N 1 2 241.241 1.741 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000283966573 385844044 /nfs/dbraw/zinc/84/40/44/385844044.db2.gz IWLKMZVLYOCEEJ-SNVBAGLBSA-N 1 2 231.303 1.608 20 0 BDADLO c1nc(C2CC2)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC000644837262 385847596 /nfs/dbraw/zinc/84/75/96/385847596.db2.gz JEXPBGCGWUPNFN-VHSXEESVSA-N 1 2 236.340 1.994 20 0 BDADLO c1nc(C2CC2)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC000644837262 385847598 /nfs/dbraw/zinc/84/75/98/385847598.db2.gz JEXPBGCGWUPNFN-VHSXEESVSA-N 1 2 236.340 1.994 20 0 BDADLO CC[C@H](CSC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000271851018 385854788 /nfs/dbraw/zinc/85/47/88/385854788.db2.gz WJIOUQRGUXQABW-MRVPVSSYSA-N 1 2 227.333 1.590 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000271117819 385790124 /nfs/dbraw/zinc/79/01/24/385790124.db2.gz IBOXFGWNAGQCOC-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000271117819 385790130 /nfs/dbraw/zinc/79/01/30/385790130.db2.gz IBOXFGWNAGQCOC-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)CO ZINC000271153362 385794795 /nfs/dbraw/zinc/79/47/95/385794795.db2.gz UHSLSZSVXWNUIG-MRVPVSSYSA-N 1 2 223.276 1.140 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccncc3)[C@H]12 ZINC000366638228 385886171 /nfs/dbraw/zinc/88/61/71/385886171.db2.gz DPOKVQHGJNZIAB-NEPJUHHUSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccncc3)[C@H]12 ZINC000366638228 385886176 /nfs/dbraw/zinc/88/61/76/385886176.db2.gz DPOKVQHGJNZIAB-NEPJUHHUSA-N 1 2 232.283 1.219 20 0 BDADLO Cc1ccncc1CCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000294722721 385888097 /nfs/dbraw/zinc/88/80/97/385888097.db2.gz CPFXGLRRIXDQPU-LBPRGKRZSA-N 1 2 247.342 1.143 20 0 BDADLO Cc1ccncc1CCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000294722721 385888100 /nfs/dbraw/zinc/88/81/00/385888100.db2.gz CPFXGLRRIXDQPU-LBPRGKRZSA-N 1 2 247.342 1.143 20 0 BDADLO c1cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)[nH]n1 ZINC000284920035 385888426 /nfs/dbraw/zinc/88/84/26/385888426.db2.gz IPXWMCGWDMPCEE-QWHCGFSZSA-N 1 2 244.298 1.425 20 0 BDADLO CCc1[nH]ccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000284899096 385888803 /nfs/dbraw/zinc/88/88/03/385888803.db2.gz HDWCYWCRNDPIJQ-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)s1 ZINC000294967215 385928716 /nfs/dbraw/zinc/92/87/16/385928716.db2.gz ISZRZMOWACFYBF-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)s1 ZINC000294967215 385928722 /nfs/dbraw/zinc/92/87/22/385928722.db2.gz ISZRZMOWACFYBF-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1nsc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000647842811 385891998 /nfs/dbraw/zinc/89/19/98/385891998.db2.gz LZMVNCWNMALDOB-UHFFFAOYSA-N 1 2 221.289 1.132 20 0 BDADLO Cn1c(Cl)cnc1C[NH2+]Cc1ccoc1 ZINC000122244209 385896497 /nfs/dbraw/zinc/89/64/97/385896497.db2.gz WWZOFUFABPYRNF-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO CCNc1nccnc1NCCCn1cc[nH+]c1 ZINC000647845220 385896877 /nfs/dbraw/zinc/89/68/77/385896877.db2.gz VVHMJDRJAUJZPS-UHFFFAOYSA-N 1 2 246.318 1.607 20 0 BDADLO CCC[C@@H](C)N(C)c1nc(C)[nH+]c(N)n1 ZINC000308889343 385904641 /nfs/dbraw/zinc/90/46/41/385904641.db2.gz QRQRAUMJELQBNJ-SSDOTTSWSA-N 1 2 209.297 1.387 20 0 BDADLO CCC[C@@H](C)N(C)c1nc(N)nc(C)[nH+]1 ZINC000308889343 385904643 /nfs/dbraw/zinc/90/46/43/385904643.db2.gz QRQRAUMJELQBNJ-SSDOTTSWSA-N 1 2 209.297 1.387 20 0 BDADLO CC[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647856277 385906140 /nfs/dbraw/zinc/90/61/40/385906140.db2.gz WMCUUNBBWCQXCH-SNVBAGLBSA-N 1 2 248.330 1.907 20 0 BDADLO CC[C@@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647856277 385906144 /nfs/dbraw/zinc/90/61/44/385906144.db2.gz WMCUUNBBWCQXCH-SNVBAGLBSA-N 1 2 248.330 1.907 20 0 BDADLO C[C@H](Nc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000647853844 385908271 /nfs/dbraw/zinc/90/82/71/385908271.db2.gz MVJFDFJQZONIFB-ZETCQYMHSA-N 1 2 220.276 1.491 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000647853844 385908275 /nfs/dbraw/zinc/90/82/75/385908275.db2.gz MVJFDFJQZONIFB-ZETCQYMHSA-N 1 2 220.276 1.491 20 0 BDADLO O=C1C[C@H](CNc2cccc[nH+]2)CN1C1CC1 ZINC000272542407 385911692 /nfs/dbraw/zinc/91/16/92/385911692.db2.gz SAHXNIDZIZYPDI-SNVBAGLBSA-N 1 2 231.299 1.504 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@H]1C(F)F ZINC000338182562 385912690 /nfs/dbraw/zinc/91/26/90/385912690.db2.gz XGRJLERETUHAOB-RQJHMYQMSA-N 1 2 229.230 1.269 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCCCO2)c[nH+]1 ZINC000272574513 385915496 /nfs/dbraw/zinc/91/54/96/385915496.db2.gz PQHCOFPOPXJVIA-JTQLQIEISA-N 1 2 237.303 1.407 20 0 BDADLO Cn1c2cccc(NCc3[nH]cc[nH+]3)c2oc1=O ZINC000338197591 385915576 /nfs/dbraw/zinc/91/55/76/385915576.db2.gz QYVHDWIFXADZQQ-UHFFFAOYSA-N 1 2 244.254 1.467 20 0 BDADLO Cc1[nH]c(C(=O)NC(C)(C)COC(C)C)c[nH+]1 ZINC000413995596 385929848 /nfs/dbraw/zinc/92/98/48/385929848.db2.gz FNOMUFXDYLMYRX-UHFFFAOYSA-N 1 2 239.319 1.652 20 0 BDADLO COC[C@](C)([NH2+]CCCC(C)C)C(=O)OC ZINC000336768000 385919052 /nfs/dbraw/zinc/91/90/52/385919052.db2.gz QMPXPELJGZGMFS-LBPRGKRZSA-N 1 2 231.336 1.590 20 0 BDADLO Cn1c[nH+]cc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000285396586 385922169 /nfs/dbraw/zinc/92/21/69/385922169.db2.gz OJDDTBFHKOLWOF-CYBMUJFWSA-N 1 2 245.330 1.870 20 0 BDADLO O=C(CCc1cncc(F)c1)NCc1[nH]cc[nH+]1 ZINC000342102772 385926421 /nfs/dbraw/zinc/92/64/21/385926421.db2.gz ZTLFOWSHNCXCDB-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCSC1 ZINC000284406551 385865577 /nfs/dbraw/zinc/86/55/77/385865577.db2.gz NRFMAFRTWRJVEE-HMDXOVGESA-N 1 2 237.328 1.435 20 0 BDADLO CO[C@H]1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000340191984 385872837 /nfs/dbraw/zinc/87/28/37/385872837.db2.gz KVFNCMDQSTXYMR-ZJUUUORDSA-N 1 2 237.303 1.231 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncc1C ZINC000294618296 385875608 /nfs/dbraw/zinc/87/56/08/385875608.db2.gz XUIIXKCILMQROP-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1C ZINC000294618296 385875612 /nfs/dbraw/zinc/87/56/12/385875612.db2.gz XUIIXKCILMQROP-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO CN(Cc1ccoc1)C(=O)CCn1cc[nH+]c1 ZINC000338050233 385881777 /nfs/dbraw/zinc/88/17/77/385881777.db2.gz XNKSWMWXWNGTHM-UHFFFAOYSA-N 1 2 233.271 1.525 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000309132095 385983792 /nfs/dbraw/zinc/98/37/92/385983792.db2.gz VIPYFVSILCULKD-VIFPVBQESA-N 1 2 239.237 1.355 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000309132095 385983797 /nfs/dbraw/zinc/98/37/97/385983797.db2.gz VIPYFVSILCULKD-VIFPVBQESA-N 1 2 239.237 1.355 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000309132093 385985632 /nfs/dbraw/zinc/98/56/32/385985632.db2.gz VIPYFVSILCULKD-SECBINFHSA-N 1 2 239.237 1.355 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000309132093 385985636 /nfs/dbraw/zinc/98/56/36/385985636.db2.gz VIPYFVSILCULKD-SECBINFHSA-N 1 2 239.237 1.355 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)N1CCC1 ZINC000334321427 385985914 /nfs/dbraw/zinc/98/59/14/385985914.db2.gz WVWBDMFVABSYRI-LLVKDONJSA-N 1 2 230.311 1.796 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)N1CCC1 ZINC000334321427 385985919 /nfs/dbraw/zinc/98/59/19/385985919.db2.gz WVWBDMFVABSYRI-LLVKDONJSA-N 1 2 230.311 1.796 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000285523488 385936551 /nfs/dbraw/zinc/93/65/51/385936551.db2.gz RVNOORGDKNULAU-NXEZZACHSA-N 1 2 248.282 1.528 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1conc1C ZINC000295010194 385941290 /nfs/dbraw/zinc/94/12/90/385941290.db2.gz VLVYLDWINVNNEO-SNVBAGLBSA-N 1 2 224.260 1.120 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1conc1C ZINC000295010194 385941296 /nfs/dbraw/zinc/94/12/96/385941296.db2.gz VLVYLDWINVNNEO-SNVBAGLBSA-N 1 2 224.260 1.120 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000425398328 385948953 /nfs/dbraw/zinc/94/89/53/385948953.db2.gz CAOPATBBUDWYBT-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1ccc(NC(=O)[C@H](O)C(C)C)c(C)[nH+]1 ZINC000285714232 385956323 /nfs/dbraw/zinc/95/63/23/385956323.db2.gz PRSVZBVCBGBFKU-LLVKDONJSA-N 1 2 222.288 1.654 20 0 BDADLO COc1ccccc1C[NH2+]CN1CCC(=O)CC1 ZINC000273038482 385962776 /nfs/dbraw/zinc/96/27/76/385962776.db2.gz FVXFEJXDJXRMFM-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000273045456 385963088 /nfs/dbraw/zinc/96/30/88/385963088.db2.gz XQIULXMEHHSMAA-SNVBAGLBSA-N 1 2 235.283 1.443 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000273045456 385963095 /nfs/dbraw/zinc/96/30/95/385963095.db2.gz XQIULXMEHHSMAA-SNVBAGLBSA-N 1 2 235.283 1.443 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425402312 385964255 /nfs/dbraw/zinc/96/42/55/385964255.db2.gz GIYPBLVXOFEMSW-UHFFFAOYSA-N 1 2 203.192 1.601 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425402312 385964260 /nfs/dbraw/zinc/96/42/60/385964260.db2.gz GIYPBLVXOFEMSW-UHFFFAOYSA-N 1 2 203.192 1.601 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@@H](O)C(F)(F)F ZINC000345191121 386055981 /nfs/dbraw/zinc/05/59/81/386055981.db2.gz ORLHYYFVEDVOEF-VXNVDRBHSA-N 1 2 249.236 1.899 20 0 BDADLO CC[C@H](C)n1nc(NCc2c[nH+]cn2C)cc1C ZINC000345137561 386007048 /nfs/dbraw/zinc/00/70/48/386007048.db2.gz HAEADXHONNOXIJ-JTQLQIEISA-N 1 2 247.346 1.930 20 0 BDADLO Cc1ccoc1CNc1nc(C)[nH+]c(N)n1 ZINC000309391994 386007879 /nfs/dbraw/zinc/00/78/79/386007879.db2.gz CBWNMUJLHLAQCW-UHFFFAOYSA-N 1 2 219.248 1.276 20 0 BDADLO Cc1ccoc1CNc1nc(N)nc(C)[nH+]1 ZINC000309391994 386007885 /nfs/dbraw/zinc/00/78/85/386007885.db2.gz CBWNMUJLHLAQCW-UHFFFAOYSA-N 1 2 219.248 1.276 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+](C)CCC(N)=O)n1 ZINC000286590769 386056051 /nfs/dbraw/zinc/05/60/51/386056051.db2.gz VVCGJXPVHXAJQK-QMMMGPOBSA-N 1 2 240.307 1.061 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+](C)CCC(N)=O)n1 ZINC000286590769 386056058 /nfs/dbraw/zinc/05/60/58/386056058.db2.gz VVCGJXPVHXAJQK-QMMMGPOBSA-N 1 2 240.307 1.061 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@@]1(C)CCCO1 ZINC000336751556 386009802 /nfs/dbraw/zinc/00/98/02/386009802.db2.gz GMIIHNPLGBMANH-RKDXNWHRSA-N 1 2 223.263 1.161 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCC(F)(F)F)n1 ZINC000336752422 386016987 /nfs/dbraw/zinc/01/69/87/386016987.db2.gz GVRHYIMFNMUEBH-YFKPBYRVSA-N 1 2 223.198 1.981 20 0 BDADLO CC[NH+](CC)Cc1c(Cl)cnn1C ZINC000189520276 386017040 /nfs/dbraw/zinc/01/70/40/386017040.db2.gz RVWTYUUTKKWUON-UHFFFAOYSA-N 1 2 201.701 1.915 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000643270285 386019825 /nfs/dbraw/zinc/01/98/25/386019825.db2.gz OCXWABOBIGSBQR-NQBHXWOUSA-N 1 2 247.342 1.750 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000335060212 386024194 /nfs/dbraw/zinc/02/41/94/386024194.db2.gz YHFZOORHZLNXBC-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000335060212 386024201 /nfs/dbraw/zinc/02/42/01/386024201.db2.gz YHFZOORHZLNXBC-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]1CCC[C@@H](C)C1 ZINC000414185439 386024870 /nfs/dbraw/zinc/02/48/70/386024870.db2.gz ONHLGPNPWJAVTJ-MDZLAQPJSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@H]1CCC[C@@H](C)C1 ZINC000414185439 386024874 /nfs/dbraw/zinc/02/48/74/386024874.db2.gz ONHLGPNPWJAVTJ-MDZLAQPJSA-N 1 2 224.348 1.981 20 0 BDADLO CC(C)(C)CN1C(=O)C(C)(C)[NH2+][C@@H]1C1CC1 ZINC000414187208 386028493 /nfs/dbraw/zinc/02/84/93/386028493.db2.gz QFOXDOVBKDMBRW-JTQLQIEISA-N 1 2 224.348 1.979 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000286413715 386035034 /nfs/dbraw/zinc/03/50/34/386035034.db2.gz OBFVBEPOQXBMGN-JTQLQIEISA-N 1 2 247.298 1.441 20 0 BDADLO CC[C@H](C)n1nc(NCc2[nH+]ccn2C)cc1C ZINC000345173254 386039569 /nfs/dbraw/zinc/03/95/69/386039569.db2.gz XLPVVQGMQOWWOZ-JTQLQIEISA-N 1 2 247.346 1.930 20 0 BDADLO Cc1cc(CNC(=O)c2ccnn2C)cc(C)[nH+]1 ZINC000335074704 386040839 /nfs/dbraw/zinc/04/08/39/386040839.db2.gz QBKXIZBBLGWLQY-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000159448846 386042292 /nfs/dbraw/zinc/04/22/92/386042292.db2.gz KSYSHEIGQXADIN-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)no1 ZINC000159448846 386042297 /nfs/dbraw/zinc/04/22/97/386042297.db2.gz KSYSHEIGQXADIN-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC(C2CC2)C1 ZINC000643285086 386043943 /nfs/dbraw/zinc/04/39/43/386043943.db2.gz XZUJUXFMRJKAPV-LLVKDONJSA-N 1 2 245.326 1.314 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000334438620 386047696 /nfs/dbraw/zinc/04/76/96/386047696.db2.gz KCVQJKNYHLZHTN-GFCCVEGCSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000334438620 386047703 /nfs/dbraw/zinc/04/77/03/386047703.db2.gz KCVQJKNYHLZHTN-GFCCVEGCSA-N 1 2 236.290 1.454 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334458853 386101296 /nfs/dbraw/zinc/10/12/96/386101296.db2.gz KTISZEBSTFHMID-JQWIXIFHSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@H]([NH2+]Cc1ccnn1C)c1ccon1 ZINC000336772827 386104000 /nfs/dbraw/zinc/10/40/00/386104000.db2.gz YIZROUULMFKTNP-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO CCCn1ncnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000647929610 386106488 /nfs/dbraw/zinc/10/64/88/386106488.db2.gz BALTWJVCNYXPKX-UHFFFAOYSA-N 1 2 234.307 1.043 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H](C)CO ZINC000287425309 386123681 /nfs/dbraw/zinc/12/36/81/386123681.db2.gz GENAFVQSMMMTRG-VIFPVBQESA-N 1 2 237.303 1.543 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1cc(F)ncc1F ZINC000295940606 386112513 /nfs/dbraw/zinc/11/25/13/386112513.db2.gz GICLXSNWYWEFJD-SSDOTTSWSA-N 1 2 216.231 1.172 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1cc(F)ncc1F ZINC000295940606 386112516 /nfs/dbraw/zinc/11/25/16/386112516.db2.gz GICLXSNWYWEFJD-SSDOTTSWSA-N 1 2 216.231 1.172 20 0 BDADLO Cc1sccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000295964213 386112954 /nfs/dbraw/zinc/11/29/54/386112954.db2.gz HYDFWVBLQDJNEL-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000287393395 386120467 /nfs/dbraw/zinc/12/04/67/386120467.db2.gz SIDRYOYMMRDNGT-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO CC/C=C/CC[N@H+](C)Cc1nncn1C ZINC000286662631 386064255 /nfs/dbraw/zinc/06/42/55/386064255.db2.gz AWYWWXWMYXPCOJ-AATRIKPKSA-N 1 2 208.309 1.603 20 0 BDADLO CC/C=C/CC[N@@H+](C)Cc1nncn1C ZINC000286662631 386064260 /nfs/dbraw/zinc/06/42/60/386064260.db2.gz AWYWWXWMYXPCOJ-AATRIKPKSA-N 1 2 208.309 1.603 20 0 BDADLO Cc1csc(C[N@@H+]2CCC[C@@](F)(CO)C2)n1 ZINC000286719795 386068774 /nfs/dbraw/zinc/06/87/74/386068774.db2.gz CHXMZRNVICBQSP-NSHDSACASA-N 1 2 244.335 1.748 20 0 BDADLO Cc1csc(C[N@H+]2CCC[C@@](F)(CO)C2)n1 ZINC000286719795 386068783 /nfs/dbraw/zinc/06/87/83/386068783.db2.gz CHXMZRNVICBQSP-NSHDSACASA-N 1 2 244.335 1.748 20 0 BDADLO COC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000295749589 386080108 /nfs/dbraw/zinc/08/01/08/386080108.db2.gz UPZRIECDXHLMBW-SNAWJCMRSA-N 1 2 249.314 1.498 20 0 BDADLO COC(=O)C[N@H+](C)CCSC(C)C ZINC000336642609 386081134 /nfs/dbraw/zinc/08/11/34/386081134.db2.gz BJKLDWYISWXBDE-UHFFFAOYSA-N 1 2 205.323 1.233 20 0 BDADLO COC(=O)C[N@@H+](C)CCSC(C)C ZINC000336642609 386081138 /nfs/dbraw/zinc/08/11/38/386081138.db2.gz BJKLDWYISWXBDE-UHFFFAOYSA-N 1 2 205.323 1.233 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000234554080 386081117 /nfs/dbraw/zinc/08/11/17/386081117.db2.gz YIDDZIBDSJZPSF-OLZOCXBDSA-N 1 2 249.310 1.261 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000189722378 386082052 /nfs/dbraw/zinc/08/20/52/386082052.db2.gz MACGSGPMUXDRFJ-NSHDSACASA-N 1 2 223.320 1.765 20 0 BDADLO Cc1cncc(NCc2[nH+]ccn2C)n1 ZINC000336728767 386082377 /nfs/dbraw/zinc/08/23/77/386082377.db2.gz IKTGZUDMBZVDTF-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(N2CC[C@H](C(C)(C)C)C2)nc(N)[nH+]1 ZINC000310089816 386084358 /nfs/dbraw/zinc/08/43/58/386084358.db2.gz DFZUKCMKLWRALI-VIFPVBQESA-N 1 2 235.335 1.635 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C(C)(C)C)C2)[nH+]1 ZINC000310089816 386084362 /nfs/dbraw/zinc/08/43/62/386084362.db2.gz DFZUKCMKLWRALI-VIFPVBQESA-N 1 2 235.335 1.635 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000334449118 386086428 /nfs/dbraw/zinc/08/64/28/386086428.db2.gz PMZXBHJUPVCLDH-JTQLQIEISA-N 1 2 248.330 1.597 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CF ZINC000286952922 386087338 /nfs/dbraw/zinc/08/73/38/386087338.db2.gz CZZHFZUXVAJKJM-MRVPVSSYSA-N 1 2 211.240 1.870 20 0 BDADLO CCOC[C@H]([NH2+][C@@H](C)C(=O)OC)C(C)C ZINC000189796202 386088644 /nfs/dbraw/zinc/08/86/44/386088644.db2.gz IFFHIHHLRRXSFM-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)O ZINC000287447216 386122885 /nfs/dbraw/zinc/12/28/85/386122885.db2.gz HTPGGESKPCTLOW-MRVPVSSYSA-N 1 2 223.276 1.201 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C1CC1 ZINC000287060619 386093657 /nfs/dbraw/zinc/09/36/57/386093657.db2.gz HKAMTROGVVHFSC-SNVBAGLBSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nc(N2CCc3sccc3C2)nc(N)[nH+]1 ZINC000310092475 386096857 /nfs/dbraw/zinc/09/68/57/386096857.db2.gz GBWBUAJMBODGET-UHFFFAOYSA-N 1 2 247.327 1.386 20 0 BDADLO Cc1nc(N)nc(N2CCc3sccc3C2)[nH+]1 ZINC000310092475 386096862 /nfs/dbraw/zinc/09/68/62/386096862.db2.gz GBWBUAJMBODGET-UHFFFAOYSA-N 1 2 247.327 1.386 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334458855 386099995 /nfs/dbraw/zinc/09/99/95/386099995.db2.gz KTISZEBSTFHMID-PWSUYJOCSA-N 1 2 247.342 1.702 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)CC1(CO)CC1 ZINC000190035435 386144570 /nfs/dbraw/zinc/14/45/70/386144570.db2.gz GYZMWYJIZBVZGB-UHFFFAOYSA-N 1 2 237.347 1.668 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)CC1(CO)CC1 ZINC000190035435 386144573 /nfs/dbraw/zinc/14/45/73/386144573.db2.gz GYZMWYJIZBVZGB-UHFFFAOYSA-N 1 2 237.347 1.668 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000414366489 386150490 /nfs/dbraw/zinc/15/04/90/386150490.db2.gz CADHRKWUDKVXIF-MNOVXSKESA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000414366489 386150492 /nfs/dbraw/zinc/15/04/92/386150492.db2.gz CADHRKWUDKVXIF-MNOVXSKESA-N 1 2 235.331 1.648 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@@H]1CC[C@H]1O ZINC000335160030 386156128 /nfs/dbraw/zinc/15/61/28/386156128.db2.gz UDNSBKUVTIPFIO-PSASIEDQSA-N 1 2 235.262 1.070 20 0 BDADLO C[C@H](CF)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000288097660 386166690 /nfs/dbraw/zinc/16/66/90/386166690.db2.gz RKTUAQWYOVTFOJ-SECBINFHSA-N 1 2 248.261 1.355 20 0 BDADLO CCN(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000288236760 386178315 /nfs/dbraw/zinc/17/83/15/386178315.db2.gz SDKMWEAGBGUJKL-UHFFFAOYSA-N 1 2 236.319 1.661 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](CC)C2)cn1 ZINC000414373019 386179843 /nfs/dbraw/zinc/17/98/43/386179843.db2.gz QYPZFNCQVOXTIL-GFCCVEGCSA-N 1 2 235.331 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](CC)C2)cn1 ZINC000414373019 386179847 /nfs/dbraw/zinc/17/98/47/386179847.db2.gz QYPZFNCQVOXTIL-GFCCVEGCSA-N 1 2 235.331 1.650 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C(C)(F)F ZINC000338932199 386181559 /nfs/dbraw/zinc/18/15/59/386181559.db2.gz ZERPQJUPJNXQSY-RKDXNWHRSA-N 1 2 245.273 1.679 20 0 BDADLO CCN(CCO)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287462290 386124804 /nfs/dbraw/zinc/12/48/04/386124804.db2.gz IURMWICMUAXWFW-UHFFFAOYSA-N 1 2 237.303 1.545 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)CO ZINC000287496986 386130466 /nfs/dbraw/zinc/13/04/66/386130466.db2.gz LEACIZATZLIWRE-QMMMGPOBSA-N 1 2 223.276 1.201 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC000274681248 386137886 /nfs/dbraw/zinc/13/78/86/386137886.db2.gz JTRWPZBVOLPJAT-UWVGGRQHSA-N 1 2 221.304 1.626 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000274681244 386138178 /nfs/dbraw/zinc/13/81/78/386138178.db2.gz JTRWPZBVOLPJAT-NXEZZACHSA-N 1 2 221.304 1.626 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338793065 386141880 /nfs/dbraw/zinc/14/18/80/386141880.db2.gz NSXRKPMFYOABRL-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338793065 386141886 /nfs/dbraw/zinc/14/18/86/386141886.db2.gz NSXRKPMFYOABRL-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@H](O)c1ccccc1 ZINC000288539863 386211718 /nfs/dbraw/zinc/21/17/18/386211718.db2.gz KSYBQIUVIGCIAI-MFKMUULPSA-N 1 2 231.299 1.621 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000339017377 386212732 /nfs/dbraw/zinc/21/27/32/386212732.db2.gz KOSXCVXCAXGUCQ-LLVKDONJSA-N 1 2 235.335 1.531 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC000339017377 386212735 /nfs/dbraw/zinc/21/27/35/386212735.db2.gz KOSXCVXCAXGUCQ-LLVKDONJSA-N 1 2 235.335 1.531 20 0 BDADLO COC1(CC[N@H+](C)Cc2nnc[nH]2)CCC1 ZINC000339015748 386213257 /nfs/dbraw/zinc/21/32/57/386213257.db2.gz BZOVTUQFZCNNFC-UHFFFAOYSA-N 1 2 224.308 1.196 20 0 BDADLO COC1(CC[N@@H+](C)Cc2nnc[nH]2)CCC1 ZINC000339015748 386213262 /nfs/dbraw/zinc/21/32/62/386213262.db2.gz BZOVTUQFZCNNFC-UHFFFAOYSA-N 1 2 224.308 1.196 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264208244 386217327 /nfs/dbraw/zinc/21/73/27/386217327.db2.gz RNXOCYVQJXGEKL-DGCLKSJQSA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264208244 386217331 /nfs/dbraw/zinc/21/73/31/386217331.db2.gz RNXOCYVQJXGEKL-DGCLKSJQSA-N 1 2 249.285 1.931 20 0 BDADLO Cc1nc(N(C)Cc2cccc(F)c2)nc(N)[nH+]1 ZINC000310657454 386220798 /nfs/dbraw/zinc/22/07/98/386220798.db2.gz CICSXCJWBLWSQR-UHFFFAOYSA-N 1 2 247.277 1.538 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2cccc(F)c2)[nH+]1 ZINC000310657454 386220803 /nfs/dbraw/zinc/22/08/03/386220803.db2.gz CICSXCJWBLWSQR-UHFFFAOYSA-N 1 2 247.277 1.538 20 0 BDADLO Cc1c[nH+]cc(NCc2cnnn2C)c1 ZINC000125089668 386222052 /nfs/dbraw/zinc/22/20/52/386222052.db2.gz FWAKPYVYCPSASM-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)c(C)c1 ZINC000264333044 386226196 /nfs/dbraw/zinc/22/61/96/386226196.db2.gz UAHDIPILENMKMO-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO C[C@@H](C[N@@H+]1CCNC(=O)C1)c1ccc(F)cc1 ZINC000275688070 386230402 /nfs/dbraw/zinc/23/04/02/386230402.db2.gz IMLQIXGVHMANKO-JTQLQIEISA-N 1 2 236.290 1.361 20 0 BDADLO C[C@@H](C[N@H+]1CCNC(=O)C1)c1ccc(F)cc1 ZINC000275688070 386230405 /nfs/dbraw/zinc/23/04/05/386230405.db2.gz IMLQIXGVHMANKO-JTQLQIEISA-N 1 2 236.290 1.361 20 0 BDADLO COC(=O)c1ccoc1C[N@H+](C)[C@H]1CCOC1 ZINC000264404275 386234240 /nfs/dbraw/zinc/23/42/40/386234240.db2.gz HNQSXPKTWAGHMJ-VIFPVBQESA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+](C)[C@H]1CCOC1 ZINC000264404275 386234243 /nfs/dbraw/zinc/23/42/43/386234243.db2.gz HNQSXPKTWAGHMJ-VIFPVBQESA-N 1 2 239.271 1.287 20 0 BDADLO CCN(C)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000264443612 386236758 /nfs/dbraw/zinc/23/67/58/386236758.db2.gz ZUIQECYWOOURMP-UHFFFAOYSA-N 1 2 218.300 1.481 20 0 BDADLO Cc1ccc(Cc2noc(CC(C)(C)O)n2)c[nH+]1 ZINC000288880843 386239986 /nfs/dbraw/zinc/23/99/86/386239986.db2.gz GRHYIMKYEGAIKO-UHFFFAOYSA-N 1 2 247.298 1.677 20 0 BDADLO CC[N@H+](CCc1cscn1)CC(=O)OC ZINC000297309835 386241618 /nfs/dbraw/zinc/24/16/18/386241618.db2.gz YZWNGJPNTIQBJM-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CC[N@@H+](CCc1cscn1)CC(=O)OC ZINC000297309835 386241623 /nfs/dbraw/zinc/24/16/23/386241623.db2.gz YZWNGJPNTIQBJM-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccon1)c1cnn(C)c1 ZINC000336742820 386252253 /nfs/dbraw/zinc/25/22/53/386252253.db2.gz OOEFUYUQKNMXSV-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCCn1cc[nH+]c1 ZINC000414720543 386254360 /nfs/dbraw/zinc/25/43/60/386254360.db2.gz CLJFLQUIDNKOHT-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000414390577 386257729 /nfs/dbraw/zinc/25/77/29/386257729.db2.gz ABUBIVUXLMLZMT-QWRGUYRKSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000414390577 386257733 /nfs/dbraw/zinc/25/77/33/386257733.db2.gz ABUBIVUXLMLZMT-QWRGUYRKSA-N 1 2 235.331 1.648 20 0 BDADLO O=C1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)CN1 ZINC000264883136 386281274 /nfs/dbraw/zinc/28/12/74/386281274.db2.gz RLYUSOXJRHRIPD-VIFPVBQESA-N 1 2 232.287 1.045 20 0 BDADLO CCOc1nnc(C[N@H+](CC)CCCO)s1 ZINC000336663856 386283934 /nfs/dbraw/zinc/28/39/34/386283934.db2.gz DMDNPMOGLJTDSV-UHFFFAOYSA-N 1 2 245.348 1.141 20 0 BDADLO CCOc1nnc(C[N@@H+](CC)CCCO)s1 ZINC000336663856 386283938 /nfs/dbraw/zinc/28/39/38/386283938.db2.gz DMDNPMOGLJTDSV-UHFFFAOYSA-N 1 2 245.348 1.141 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cc(F)ccc1O ZINC000340312584 386284365 /nfs/dbraw/zinc/28/43/65/386284365.db2.gz ORIBDOWWQGXOQY-UHFFFAOYSA-N 1 2 249.245 1.757 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cn(C)nn2)s1 ZINC000336664632 386286940 /nfs/dbraw/zinc/28/69/40/386286940.db2.gz GHRDTOSZSBAAJP-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cn(C)nn2)s1 ZINC000336664632 386286946 /nfs/dbraw/zinc/28/69/46/386286946.db2.gz GHRDTOSZSBAAJP-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO COC1(CC[N@@H+]2CCOCC(F)(F)C2)CCC1 ZINC000339206258 386300756 /nfs/dbraw/zinc/30/07/56/386300756.db2.gz RJISYVUJDXUBOO-UHFFFAOYSA-N 1 2 249.301 1.913 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000347297114 386300764 /nfs/dbraw/zinc/30/07/64/386300764.db2.gz GVXSHUABMLOMMB-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000347297114 386300769 /nfs/dbraw/zinc/30/07/69/386300769.db2.gz GVXSHUABMLOMMB-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO COC1(CC[N@H+]2CCOCC(F)(F)C2)CCC1 ZINC000339206258 386300763 /nfs/dbraw/zinc/30/07/63/386300763.db2.gz RJISYVUJDXUBOO-UHFFFAOYSA-N 1 2 249.301 1.913 20 0 BDADLO Cc1nonc1C[N@@H+]1CCc2ccccc2C1 ZINC000265063491 386302084 /nfs/dbraw/zinc/30/20/84/386302084.db2.gz UCAHJOPLXZBQTM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1nonc1C[N@H+]1CCc2ccccc2C1 ZINC000265063491 386302085 /nfs/dbraw/zinc/30/20/85/386302085.db2.gz UCAHJOPLXZBQTM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CC[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298167748 386303389 /nfs/dbraw/zinc/30/33/89/386303389.db2.gz PVNHZLQSPDSMTB-SECBINFHSA-N 1 2 209.293 1.425 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335266859 386305923 /nfs/dbraw/zinc/30/59/23/386305923.db2.gz YBEHMMQJBRHXGL-QFYYESIMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000335266859 386305927 /nfs/dbraw/zinc/30/59/27/386305927.db2.gz YBEHMMQJBRHXGL-QFYYESIMSA-N 1 2 241.356 1.788 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000336673349 386307897 /nfs/dbraw/zinc/30/78/97/386307897.db2.gz KQEIJETYTQPALA-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@@H](OC)C2)n1 ZINC000336673349 386307904 /nfs/dbraw/zinc/30/79/04/386307904.db2.gz KQEIJETYTQPALA-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000336674298 386309300 /nfs/dbraw/zinc/30/93/00/386309300.db2.gz BCQUZTIPEGSYIT-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000336674298 386309305 /nfs/dbraw/zinc/30/93/05/386309305.db2.gz BCQUZTIPEGSYIT-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO CCCCCOCC(=O)Nc1ccc(N)[nH+]c1 ZINC000236760136 386309808 /nfs/dbraw/zinc/30/98/08/386309808.db2.gz QJNIAWQYDRPWBB-UHFFFAOYSA-N 1 2 237.303 1.809 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289465996 386311297 /nfs/dbraw/zinc/31/12/97/386311297.db2.gz YRIOTZHYJBFQJR-LLVKDONJSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289465996 386311302 /nfs/dbraw/zinc/31/13/02/386311302.db2.gz YRIOTZHYJBFQJR-LLVKDONJSA-N 1 2 246.310 1.732 20 0 BDADLO c1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)on1 ZINC000334482224 386311919 /nfs/dbraw/zinc/31/19/19/386311919.db2.gz XPMWZFZYUDXPGW-JTQLQIEISA-N 1 2 218.260 1.735 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2CC2(C)C)nc[nH+]1 ZINC000298325947 386325041 /nfs/dbraw/zinc/32/50/41/386325041.db2.gz RPCYLDUETIZMQD-RKDXNWHRSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2CC2(C)C)[nH+]cn1 ZINC000298325947 386325047 /nfs/dbraw/zinc/32/50/47/386325047.db2.gz RPCYLDUETIZMQD-RKDXNWHRSA-N 1 2 236.319 1.480 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)nc1 ZINC000276379548 386312539 /nfs/dbraw/zinc/31/25/39/386312539.db2.gz QCVAMGWYPMNNTK-CHWSQXEVSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)nc1 ZINC000276379548 386312545 /nfs/dbraw/zinc/31/25/45/386312545.db2.gz QCVAMGWYPMNNTK-CHWSQXEVSA-N 1 2 236.290 1.974 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000336670691 386314479 /nfs/dbraw/zinc/31/44/79/386314479.db2.gz YPMYOBQOYFHCNU-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2cc[nH]n2)c1 ZINC000336670691 386314483 /nfs/dbraw/zinc/31/44/83/386314483.db2.gz YPMYOBQOYFHCNU-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)nc1 ZINC000276379552 386314518 /nfs/dbraw/zinc/31/45/18/386314518.db2.gz QCVAMGWYPMNNTK-OLZOCXBDSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)nc1 ZINC000276379552 386314521 /nfs/dbraw/zinc/31/45/21/386314521.db2.gz QCVAMGWYPMNNTK-OLZOCXBDSA-N 1 2 236.290 1.974 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2cnn(C)c2C)c[nH+]1 ZINC000264697751 386264370 /nfs/dbraw/zinc/26/43/70/386264370.db2.gz BEGUXEHZTDATGW-SSDOTTSWSA-N 1 2 247.302 1.251 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)NCc1[nH+]ccn1C ZINC000264729899 386265601 /nfs/dbraw/zinc/26/56/01/386265601.db2.gz GRLYQTADCOQTGI-SNVBAGLBSA-N 1 2 238.335 1.608 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C=CCCC1 ZINC000339164444 386270836 /nfs/dbraw/zinc/27/08/36/386270836.db2.gz SXAFJBNJMATHDP-LLVKDONJSA-N 1 2 233.315 1.578 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)nn1 ZINC000414392845 386271957 /nfs/dbraw/zinc/27/19/57/386271957.db2.gz GVBOCFUGCUYGKK-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)nn1 ZINC000414392845 386271962 /nfs/dbraw/zinc/27/19/62/386271962.db2.gz GVBOCFUGCUYGKK-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000264817659 386273609 /nfs/dbraw/zinc/27/36/09/386273609.db2.gz QCQBLEZXVLHZPI-SCZZXKLOSA-N 1 2 249.318 1.182 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOC(C)C ZINC000297702923 386273718 /nfs/dbraw/zinc/27/37/18/386273718.db2.gz IHYJKODVVCPMTA-UHFFFAOYSA-N 1 2 209.249 1.852 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cnc(C)s1 ZINC000347247092 386279150 /nfs/dbraw/zinc/27/91/50/386279150.db2.gz XZQXPURQVSDWNX-UHFFFAOYSA-N 1 2 242.344 1.835 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cnc(C)s1 ZINC000347247092 386279155 /nfs/dbraw/zinc/27/91/55/386279155.db2.gz XZQXPURQVSDWNX-UHFFFAOYSA-N 1 2 242.344 1.835 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000289675828 386342276 /nfs/dbraw/zinc/34/22/76/386342276.db2.gz AQFCEJXGWROBMP-LLVKDONJSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000289675828 386342282 /nfs/dbraw/zinc/34/22/82/386342282.db2.gz AQFCEJXGWROBMP-LLVKDONJSA-N 1 2 231.303 1.362 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347347986 386343503 /nfs/dbraw/zinc/34/35/03/386343503.db2.gz JTNHBEHOEHXQQP-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@](C)(F)C1 ZINC000347347986 386343507 /nfs/dbraw/zinc/34/35/07/386343507.db2.gz JTNHBEHOEHXQQP-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO CCc1cc(N)nc(SC[C@H](O)CC)[nH+]1 ZINC000298436806 386344530 /nfs/dbraw/zinc/34/45/30/386344530.db2.gz XHEJPXIEXJXDMP-MRVPVSSYSA-N 1 2 227.333 1.484 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccnc(C)n1)c1ccco1 ZINC000339291706 386345059 /nfs/dbraw/zinc/34/50/59/386345059.db2.gz WAFKOZRYGOPFRE-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000276618918 386353743 /nfs/dbraw/zinc/35/37/43/386353743.db2.gz QLZQXVHYYUKFDG-JOEPOWSHSA-N 1 2 235.287 1.107 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343212719 386353758 /nfs/dbraw/zinc/35/37/58/386353758.db2.gz RPGGXJTZQHQQAD-TUAOUCFPSA-N 1 2 249.358 1.996 20 0 BDADLO COC[C@@H]([NH2+]Cc1nccn1C)c1ccccc1 ZINC000226652489 386355085 /nfs/dbraw/zinc/35/50/85/386355085.db2.gz DENVBBJWKISORQ-CYBMUJFWSA-N 1 2 245.326 1.897 20 0 BDADLO CC[N@H+](CCOC)Cc1nc([C@H](C)OC)no1 ZINC000336685295 386358007 /nfs/dbraw/zinc/35/80/07/386358007.db2.gz FMZXFKXLVKDVGR-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc([C@H](C)OC)no1 ZINC000336685295 386358010 /nfs/dbraw/zinc/35/80/10/386358010.db2.gz FMZXFKXLVKDVGR-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000366324154 386359804 /nfs/dbraw/zinc/35/98/04/386359804.db2.gz IYQISLMJPBXDTD-LLVKDONJSA-N 1 2 247.342 1.354 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCc2ncccc2C1 ZINC000366324154 386359809 /nfs/dbraw/zinc/35/98/09/386359809.db2.gz IYQISLMJPBXDTD-LLVKDONJSA-N 1 2 247.342 1.354 20 0 BDADLO C[C@@H](CNC(=O)C(C)(C)C)Cn1cc[nH+]c1 ZINC000265732058 386362631 /nfs/dbraw/zinc/36/26/31/386362631.db2.gz BVTFQRUNUVAPFL-JTQLQIEISA-N 1 2 223.320 1.682 20 0 BDADLO CS(=O)(=O)CC[N@@H+]1CCc2sccc2C1 ZINC000298598940 386363172 /nfs/dbraw/zinc/36/31/72/386363172.db2.gz HEFGMCFEDDACOC-UHFFFAOYSA-N 1 2 245.369 1.151 20 0 BDADLO CS(=O)(=O)CC[N@H+]1CCc2sccc2C1 ZINC000298598940 386363176 /nfs/dbraw/zinc/36/31/76/386363176.db2.gz HEFGMCFEDDACOC-UHFFFAOYSA-N 1 2 245.369 1.151 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000265755641 386364510 /nfs/dbraw/zinc/36/45/10/386364510.db2.gz GEFNGNFYSKUHEN-VIFPVBQESA-N 1 2 245.273 1.747 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000265755641 386364514 /nfs/dbraw/zinc/36/45/14/386364514.db2.gz GEFNGNFYSKUHEN-VIFPVBQESA-N 1 2 245.273 1.747 20 0 BDADLO COC[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000265769635 386366677 /nfs/dbraw/zinc/36/66/77/386366677.db2.gz CPNKBXJESBHRRA-SNVBAGLBSA-N 1 2 233.315 1.827 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ncnn1C ZINC000276756877 386371573 /nfs/dbraw/zinc/37/15/73/386371573.db2.gz UGLJKIQLZNGKTB-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000276773384 386373710 /nfs/dbraw/zinc/37/37/10/386373710.db2.gz IEJHHSFKNIGAHF-QWRGUYRKSA-N 1 2 218.304 1.763 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1[C@H]1C=CCCC1 ZINC000276773384 386373719 /nfs/dbraw/zinc/37/37/19/386373719.db2.gz IEJHHSFKNIGAHF-QWRGUYRKSA-N 1 2 218.304 1.763 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)n(C)n1 ZINC000334495062 386374083 /nfs/dbraw/zinc/37/40/83/386374083.db2.gz GNYSLHLRKIWEMW-AOOOYVTPSA-N 1 2 236.319 1.150 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)n(C)n1 ZINC000334495062 386374088 /nfs/dbraw/zinc/37/40/88/386374088.db2.gz GNYSLHLRKIWEMW-AOOOYVTPSA-N 1 2 236.319 1.150 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cccc(C)n1 ZINC000347388986 386377338 /nfs/dbraw/zinc/37/73/38/386377338.db2.gz USOGDPCBJPVKFG-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cccc(C)n1 ZINC000347388986 386377344 /nfs/dbraw/zinc/37/73/44/386377344.db2.gz USOGDPCBJPVKFG-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000334483870 386328826 /nfs/dbraw/zinc/32/88/26/386328826.db2.gz YVQPLAIAXKLSCA-VIFPVBQESA-N 1 2 247.298 1.019 20 0 BDADLO CNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000334483870 386328833 /nfs/dbraw/zinc/32/88/33/386328833.db2.gz YVQPLAIAXKLSCA-VIFPVBQESA-N 1 2 247.298 1.019 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)C(C)(C)C ZINC000265349932 386329712 /nfs/dbraw/zinc/32/97/12/386329712.db2.gz YZFTXRKFZOINDI-JTQLQIEISA-N 1 2 223.320 1.682 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]cn1 ZINC000336774382 386338384 /nfs/dbraw/zinc/33/83/84/386338384.db2.gz WTTQGYRQKSOTRD-WDEREUQCSA-N 1 2 221.304 1.434 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000266453829 386437148 /nfs/dbraw/zinc/43/71/48/386437148.db2.gz CFUXXRPKVMVNBX-AOOOYVTPSA-N 1 2 248.330 1.218 20 0 BDADLO Cn1cccc1CNc1[nH+]cnc2c1cnn2C ZINC000266498124 386442233 /nfs/dbraw/zinc/44/22/33/386442233.db2.gz UVHYGJFCQRAENT-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000336716163 386443347 /nfs/dbraw/zinc/44/33/47/386443347.db2.gz SVXRIXAFXJFUKU-LLVKDONJSA-N 1 2 235.331 1.378 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000336716163 386443350 /nfs/dbraw/zinc/44/33/50/386443350.db2.gz SVXRIXAFXJFUKU-LLVKDONJSA-N 1 2 235.331 1.378 20 0 BDADLO CCCc1noc(C[N@H+](CC)[C@@H]2CCOC2)n1 ZINC000336718935 386446905 /nfs/dbraw/zinc/44/69/05/386446905.db2.gz RKWPJFHSLNXHHA-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@@H+](CC)[C@@H]2CCOC2)n1 ZINC000336718935 386446911 /nfs/dbraw/zinc/44/69/11/386446911.db2.gz RKWPJFHSLNXHHA-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000277582966 386449854 /nfs/dbraw/zinc/44/98/54/386449854.db2.gz WABUTLCLDYSXEF-CMPLNLGQSA-N 1 2 249.314 1.937 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1sc(C)nc1C ZINC000265984971 386390301 /nfs/dbraw/zinc/39/03/01/386390301.db2.gz HACNFIWZJBMMBO-UHFFFAOYSA-N 1 2 242.344 1.755 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1sc(C)nc1C ZINC000265984971 386390306 /nfs/dbraw/zinc/39/03/06/386390306.db2.gz HACNFIWZJBMMBO-UHFFFAOYSA-N 1 2 242.344 1.755 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCc2cccnc21 ZINC000644861417 386391017 /nfs/dbraw/zinc/39/10/17/386391017.db2.gz SIJAVNGCUDYCCJ-LLVKDONJSA-N 1 2 242.282 1.151 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCc2cccnc21 ZINC000644861417 386391019 /nfs/dbraw/zinc/39/10/19/386391019.db2.gz SIJAVNGCUDYCCJ-LLVKDONJSA-N 1 2 242.282 1.151 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cncn1C)c1[nH]cc[nH+]1 ZINC000290056991 386391422 /nfs/dbraw/zinc/39/14/22/386391422.db2.gz DZNDYNHVPLZMRQ-SNVBAGLBSA-N 1 2 247.302 1.270 20 0 BDADLO O=C1NC[C@H](CSc2[nH+]cc3ccccn32)O1 ZINC000298849281 386391870 /nfs/dbraw/zinc/39/18/70/386391870.db2.gz LYYMGBSUMGEYKO-SECBINFHSA-N 1 2 249.295 1.535 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1nc(COC)no1 ZINC000347358938 386394115 /nfs/dbraw/zinc/39/41/15/386394115.db2.gz HEHKOILSRGSNLI-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1nc(COC)no1 ZINC000347358938 386394119 /nfs/dbraw/zinc/39/41/19/386394119.db2.gz HEHKOILSRGSNLI-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334496982 386395404 /nfs/dbraw/zinc/39/54/04/386395404.db2.gz BJENEPRFLWXYBW-DTWKUNHWSA-N 1 2 222.292 1.598 20 0 BDADLO Cn1ncc(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000290124379 386395752 /nfs/dbraw/zinc/39/57/52/386395752.db2.gz YYQSITICKMQWSS-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1ncc(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000290124379 386395755 /nfs/dbraw/zinc/39/57/55/386395755.db2.gz YYQSITICKMQWSS-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC(C)(F)F ZINC000277036284 386399915 /nfs/dbraw/zinc/39/99/15/386399915.db2.gz GCIKMHWFUBDREW-MRVPVSSYSA-N 1 2 231.246 1.433 20 0 BDADLO Cc1cc(N2CCC[C@]2(C)CCCO)nc[nH+]1 ZINC000347449178 386406785 /nfs/dbraw/zinc/40/67/85/386406785.db2.gz NZSMXLFFEGGZJS-CYBMUJFWSA-N 1 2 235.331 1.916 20 0 BDADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000266199282 386410929 /nfs/dbraw/zinc/41/09/29/386410929.db2.gz YODJFBARMWSBGN-CYBMUJFWSA-N 1 2 248.326 1.370 20 0 BDADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000266199282 386410932 /nfs/dbraw/zinc/41/09/32/386410932.db2.gz YODJFBARMWSBGN-CYBMUJFWSA-N 1 2 248.326 1.370 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CCCO2)nn1C ZINC000336707687 386414721 /nfs/dbraw/zinc/41/47/21/386414721.db2.gz TWSUSCHYCIWDBO-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CCCO2)nn1C ZINC000336707687 386414726 /nfs/dbraw/zinc/41/47/26/386414726.db2.gz TWSUSCHYCIWDBO-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC1(C)SC[C@@H]1[NH2+]Cc1csnn1 ZINC000283032939 386419161 /nfs/dbraw/zinc/41/91/61/386419161.db2.gz NIZWLBNTWWASOE-ZETCQYMHSA-N 1 2 215.347 1.522 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000336709477 386423322 /nfs/dbraw/zinc/42/33/22/386423322.db2.gz XFZFMOVPTNBFFE-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000336709477 386423324 /nfs/dbraw/zinc/42/33/24/386423324.db2.gz XFZFMOVPTNBFFE-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO Cc1cnc(C2CC[NH+](CC(N)=O)CC2)s1 ZINC000277288224 386424243 /nfs/dbraw/zinc/42/42/43/386424243.db2.gz CPVSEHRPSAXOHR-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000290382791 386426629 /nfs/dbraw/zinc/42/66/29/386426629.db2.gz ITBNGIYZTVBDNX-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000290382791 386426634 /nfs/dbraw/zinc/42/66/34/386426634.db2.gz ITBNGIYZTVBDNX-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC(C1CC1)C1CC1 ZINC000299575867 386468731 /nfs/dbraw/zinc/46/87/31/386468731.db2.gz CBQUTUKBUKKULT-UHFFFAOYSA-N 1 2 233.315 1.578 20 0 BDADLO C[NH+](C)Cc1nc(Cc2ccccc2F)no1 ZINC000277824552 386469222 /nfs/dbraw/zinc/46/92/22/386469222.db2.gz HTYUOLDPEANTSR-UHFFFAOYSA-N 1 2 235.262 1.861 20 0 BDADLO CC[N@H+](CCO)Cc1nncn1-c1ccccc1 ZINC000277855893 386470120 /nfs/dbraw/zinc/47/01/20/386470120.db2.gz XWMFSJACCDIIBG-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CC[N@@H+](CCO)Cc1nncn1-c1ccccc1 ZINC000277855893 386470127 /nfs/dbraw/zinc/47/01/27/386470127.db2.gz XWMFSJACCDIIBG-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO COCC1(C)C[NH+](Cc2ncc(C)o2)C1 ZINC000639255054 386470208 /nfs/dbraw/zinc/47/02/08/386470208.db2.gz MELAROXDWCHWGS-UHFFFAOYSA-N 1 2 210.277 1.451 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(C)(O)C2)c1C ZINC000639254379 386470812 /nfs/dbraw/zinc/47/08/12/386470812.db2.gz QWEGEGCMSNLBGH-UHFFFAOYSA-N 1 2 223.320 1.086 20 0 BDADLO Cn1ccnc1C[N@H+](C)Cc1ccc(CO)cc1 ZINC000163448226 386528962 /nfs/dbraw/zinc/52/89/62/386528962.db2.gz KCEFBCVFXSACDA-UHFFFAOYSA-N 1 2 245.326 1.544 20 0 BDADLO Cn1ccnc1C[N@@H+](C)Cc1ccc(CO)cc1 ZINC000163448226 386528975 /nfs/dbraw/zinc/52/89/75/386528975.db2.gz KCEFBCVFXSACDA-UHFFFAOYSA-N 1 2 245.326 1.544 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1[C@@H]2COC[C@@H]21 ZINC000519544109 386480211 /nfs/dbraw/zinc/48/02/11/386480211.db2.gz GNNMXZGTMHPTIH-MYJAWHEDSA-N 1 2 205.261 1.150 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290863461 386480740 /nfs/dbraw/zinc/48/07/40/386480740.db2.gz BSXOXUHQLDBWEL-RYUDHWBXSA-N 1 2 233.315 1.517 20 0 BDADLO C[C@@H]1C[C@@H]([NH+]=c2[nH]c3c(cccc3F)n2C)CO1 ZINC000335430077 386485951 /nfs/dbraw/zinc/48/59/51/386485951.db2.gz SYNJZRWGXJYCIO-RKDXNWHRSA-N 1 2 249.289 1.724 20 0 BDADLO CC[C@](C)([NH2+]CCc1ccccn1)C(=O)OC ZINC000299734049 386486079 /nfs/dbraw/zinc/48/60/79/386486079.db2.gz ZGQPGHVCTXASND-ZDUSSCGKSA-N 1 2 236.315 1.555 20 0 BDADLO CC1(C)C[N@H+](CCO)C[C@@H](C(F)(F)F)O1 ZINC000335430462 386486779 /nfs/dbraw/zinc/48/67/79/386486779.db2.gz JYJFTHDWJHZPNK-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO CC1(C)C[N@@H+](CCO)C[C@@H](C(F)(F)F)O1 ZINC000335430462 386486782 /nfs/dbraw/zinc/48/67/82/386486782.db2.gz JYJFTHDWJHZPNK-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)n(C)n1 ZINC000417927190 386487116 /nfs/dbraw/zinc/48/71/16/386487116.db2.gz FSZMJMIDVKETDA-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000339585131 386488005 /nfs/dbraw/zinc/48/80/05/386488005.db2.gz UKQZLEOFNYFOPH-MNOVXSKESA-N 1 2 221.304 1.567 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCO[C@H](C)C2)cn1 ZINC000339585131 386488009 /nfs/dbraw/zinc/48/80/09/386488009.db2.gz UKQZLEOFNYFOPH-MNOVXSKESA-N 1 2 221.304 1.567 20 0 BDADLO Cc1coc(C)c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290936362 386488756 /nfs/dbraw/zinc/48/87/56/386488756.db2.gz NNDHJIBKTRCENQ-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO C[C@@H](CNC(=O)CC(F)(F)F)Cn1cc[nH+]c1 ZINC000267043409 386489315 /nfs/dbraw/zinc/48/93/15/386489315.db2.gz FSRPCSSLXNRLLX-QMMMGPOBSA-N 1 2 249.236 1.588 20 0 BDADLO CC(C)[C@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290950793 386491486 /nfs/dbraw/zinc/49/14/86/386491486.db2.gz PYZNJPBFIUAVMN-LLVKDONJSA-N 1 2 235.331 1.908 20 0 BDADLO CC(C)C(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290969714 386494269 /nfs/dbraw/zinc/49/42/69/386494269.db2.gz SWNUFTOQOXAEMT-UHFFFAOYSA-N 1 2 235.331 1.908 20 0 BDADLO C[NH+](C)Cc1nc(Cc2ccncc2)no1 ZINC000278228430 386503931 /nfs/dbraw/zinc/50/39/31/386503931.db2.gz XLGVRAAKDGUVGV-UHFFFAOYSA-N 1 2 218.260 1.117 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000336783757 386507428 /nfs/dbraw/zinc/50/74/28/386507428.db2.gz DCWDDUQEEDEQOC-GFCCVEGCSA-N 1 2 243.314 1.027 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000336783757 386507431 /nfs/dbraw/zinc/50/74/31/386507431.db2.gz DCWDDUQEEDEQOC-GFCCVEGCSA-N 1 2 243.314 1.027 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000335446079 386512667 /nfs/dbraw/zinc/51/26/67/386512667.db2.gz FAGMQUPOPJTUDW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000335446079 386512672 /nfs/dbraw/zinc/51/26/72/386512672.db2.gz FAGMQUPOPJTUDW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H]2C2CCC2)o1 ZINC000335448112 386517298 /nfs/dbraw/zinc/51/72/98/386517298.db2.gz TXKVHIVMRWXRPK-GFCCVEGCSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H]2C2CCC2)o1 ZINC000335448112 386517299 /nfs/dbraw/zinc/51/72/99/386517299.db2.gz TXKVHIVMRWXRPK-GFCCVEGCSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335450139 386520707 /nfs/dbraw/zinc/52/07/07/386520707.db2.gz VLIKVWPPETULRB-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335450139 386520714 /nfs/dbraw/zinc/52/07/14/386520714.db2.gz VLIKVWPPETULRB-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335450139 386520722 /nfs/dbraw/zinc/52/07/22/386520722.db2.gz VLIKVWPPETULRB-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335450139 386520726 /nfs/dbraw/zinc/52/07/26/386520726.db2.gz VLIKVWPPETULRB-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cocn2)C[C@@H]1C ZINC000277636786 386453820 /nfs/dbraw/zinc/45/38/20/386453820.db2.gz NHYRIIXLWPCBPM-GXSJLCMTSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cocn2)C[C@@H]1C ZINC000277636786 386453825 /nfs/dbraw/zinc/45/38/25/386453825.db2.gz NHYRIIXLWPCBPM-GXSJLCMTSA-N 1 2 238.287 1.306 20 0 BDADLO O=C(C1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000299489852 386457980 /nfs/dbraw/zinc/45/79/80/386457980.db2.gz FRLKNYLYJDVAFU-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO CSCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299486319 386459968 /nfs/dbraw/zinc/45/99/68/386459968.db2.gz DUQAPQDTFPXQOL-VIFPVBQESA-N 1 2 239.344 1.826 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000291726267 386574368 /nfs/dbraw/zinc/57/43/68/386574368.db2.gz JJHJVMCXLFELSD-LLVKDONJSA-N 1 2 217.276 1.053 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000291726267 386574371 /nfs/dbraw/zinc/57/43/71/386574371.db2.gz JJHJVMCXLFELSD-LLVKDONJSA-N 1 2 217.276 1.053 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)CC1 ZINC000278756698 386577064 /nfs/dbraw/zinc/57/70/64/386577064.db2.gz VYIYMRSUMPSCBU-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3ccon3)C2)c1 ZINC000291808915 386585894 /nfs/dbraw/zinc/58/58/94/386585894.db2.gz NJQUPLNSUDXXMB-NSHDSACASA-N 1 2 218.260 1.318 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3ccon3)C2)c1 ZINC000291808915 386585898 /nfs/dbraw/zinc/58/58/98/386585898.db2.gz NJQUPLNSUDXXMB-NSHDSACASA-N 1 2 218.260 1.318 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000267861977 386592252 /nfs/dbraw/zinc/59/22/52/386592252.db2.gz ASVLFFYDRDQFMW-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000267861977 386592263 /nfs/dbraw/zinc/59/22/63/386592263.db2.gz ASVLFFYDRDQFMW-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC1(Cl)Cl ZINC000267872427 386592579 /nfs/dbraw/zinc/59/25/79/386592579.db2.gz KYGIWXCIQQAPLA-ZCFIWIBFSA-N 1 2 248.113 1.528 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C)CCC1 ZINC000278830904 386594534 /nfs/dbraw/zinc/59/45/34/386594534.db2.gz RVSYFAHCBCSNKQ-UHFFFAOYSA-N 1 2 207.277 1.319 20 0 BDADLO Cc1occc1C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000563351476 386594905 /nfs/dbraw/zinc/59/49/05/386594905.db2.gz FXHPEXFIDYHCRV-UHFFFAOYSA-N 1 2 244.298 1.349 20 0 BDADLO Cc1occc1C[N@H+]1CCc2nnc(N)cc2C1 ZINC000563351476 386594910 /nfs/dbraw/zinc/59/49/10/386594910.db2.gz FXHPEXFIDYHCRV-UHFFFAOYSA-N 1 2 244.298 1.349 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000278516505 386539151 /nfs/dbraw/zinc/53/91/51/386539151.db2.gz BZONSHSOMAUMHJ-MWLCHTKSSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000278516505 386539160 /nfs/dbraw/zinc/53/91/60/386539160.db2.gz BZONSHSOMAUMHJ-MWLCHTKSSA-N 1 2 235.331 1.956 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335461013 386543789 /nfs/dbraw/zinc/54/37/89/386543789.db2.gz DDXWNVDQMCEIMN-NXEZZACHSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335461013 386543802 /nfs/dbraw/zinc/54/38/02/386543802.db2.gz DDXWNVDQMCEIMN-NXEZZACHSA-N 1 2 227.304 1.191 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399393338 386544804 /nfs/dbraw/zinc/54/48/04/386544804.db2.gz DKUIZROCWBRNEK-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399393338 386544809 /nfs/dbraw/zinc/54/48/09/386544809.db2.gz DKUIZROCWBRNEK-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO Cn1cc[nH+]c1CNC1(C(F)F)CC1 ZINC000308520493 386545578 /nfs/dbraw/zinc/54/55/78/386545578.db2.gz RTLKSRVBSCRWCW-UHFFFAOYSA-N 1 2 201.220 1.307 20 0 BDADLO CC(C)n1cc(CNc2ccc(CO)c[nH+]2)nn1 ZINC000291476214 386547764 /nfs/dbraw/zinc/54/77/64/386547764.db2.gz FHVZKDLKBLESTL-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO CN(CCCCCO)c1cc[nH+]c(C2CC2)n1 ZINC000278561826 386548755 /nfs/dbraw/zinc/54/87/55/386548755.db2.gz BAUHCIWWOCBSND-UHFFFAOYSA-N 1 2 235.331 1.953 20 0 BDADLO Cn1nc(NC(=O)Cn2cc[nH+]c2)cc1C1CC1 ZINC000291517592 386555124 /nfs/dbraw/zinc/55/51/24/386555124.db2.gz RIMDRBJCGGRTCS-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cncn1C ZINC000267598118 386559682 /nfs/dbraw/zinc/55/96/82/386559682.db2.gz KXVXVPXLSYIUOP-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cncn1C ZINC000267598118 386559685 /nfs/dbraw/zinc/55/96/85/386559685.db2.gz KXVXVPXLSYIUOP-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000267598118 386559688 /nfs/dbraw/zinc/55/96/88/386559688.db2.gz KXVXVPXLSYIUOP-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cc[nH]c1 ZINC000519833955 386559909 /nfs/dbraw/zinc/55/99/09/386559909.db2.gz QPBDYOXSYNLGOR-UHFFFAOYSA-N 1 2 218.260 1.161 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(O)CCCCC1 ZINC000267906157 386597634 /nfs/dbraw/zinc/59/76/34/386597634.db2.gz AXTYUCMHTIDFKN-UHFFFAOYSA-N 1 2 237.303 1.030 20 0 BDADLO COCCC(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493494219 533178416 /nfs/dbraw/zinc/17/84/16/533178416.db2.gz TZYGEIZCXPNEEV-SNAWJCMRSA-N 1 2 237.303 1.354 20 0 BDADLO Cc1csc([S@](=O)Cc2c[nH+]cn2C)n1 ZINC000268134787 386622190 /nfs/dbraw/zinc/62/21/90/386622190.db2.gz BDZWIAKELXLVDP-OAHLLOKOSA-N 1 2 241.341 1.493 20 0 BDADLO CC(C)(O)CCSCCn1cc[nH+]c1 ZINC000520253316 386622912 /nfs/dbraw/zinc/62/29/12/386622912.db2.gz XOUVSUACNQGFQN-UHFFFAOYSA-N 1 2 214.334 1.777 20 0 BDADLO CC(C)(CCO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000182483717 386623385 /nfs/dbraw/zinc/62/33/85/386623385.db2.gz QVJLOPQOXCGHBL-UHFFFAOYSA-N 1 2 247.298 1.225 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353191345 386624051 /nfs/dbraw/zinc/62/40/51/386624051.db2.gz JUIONTNOARZQFW-SFYZADRCSA-N 1 2 225.304 1.440 20 0 BDADLO CSC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353191345 386624054 /nfs/dbraw/zinc/62/40/54/386624054.db2.gz JUIONTNOARZQFW-SFYZADRCSA-N 1 2 225.304 1.440 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](OC)c1ccccc1 ZINC000284026708 386625593 /nfs/dbraw/zinc/62/55/93/386625593.db2.gz PAFJVSVJCKBVMK-LBPRGKRZSA-N 1 2 237.299 1.479 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000284026708 386625598 /nfs/dbraw/zinc/62/55/98/386625598.db2.gz PAFJVSVJCKBVMK-LBPRGKRZSA-N 1 2 237.299 1.479 20 0 BDADLO COCc1noc(C[N@@H+]2CCCSCC2)n1 ZINC000329196247 386630500 /nfs/dbraw/zinc/63/05/00/386630500.db2.gz SWOQFZVVIKIHPU-UHFFFAOYSA-N 1 2 243.332 1.155 20 0 BDADLO COCc1noc(C[N@H+]2CCCSCC2)n1 ZINC000329196247 386630508 /nfs/dbraw/zinc/63/05/08/386630508.db2.gz SWOQFZVVIKIHPU-UHFFFAOYSA-N 1 2 243.332 1.155 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)C1CCCC1 ZINC000268252104 386633618 /nfs/dbraw/zinc/63/36/18/386633618.db2.gz ZNSPGQAOHFHRGG-AWEZNQCLSA-N 1 2 212.318 1.611 20 0 BDADLO CN(Cc1ccco1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279144332 386640706 /nfs/dbraw/zinc/64/07/06/386640706.db2.gz GOUMQTVEMIWDMH-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)ncn1 ZINC000292256569 386641972 /nfs/dbraw/zinc/64/19/72/386641972.db2.gz VFFUBWHEDIRJRK-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)ncn1 ZINC000292256569 386641980 /nfs/dbraw/zinc/64/19/80/386641980.db2.gz VFFUBWHEDIRJRK-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)on1 ZINC000268317933 386642811 /nfs/dbraw/zinc/64/28/11/386642811.db2.gz ZRYPAGZCIFCGQA-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)on1 ZINC000268317933 386642813 /nfs/dbraw/zinc/64/28/13/386642813.db2.gz ZRYPAGZCIFCGQA-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO CC(C)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366689564 386646714 /nfs/dbraw/zinc/64/67/14/386646714.db2.gz PIGXOOKKYUDLSW-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366689564 386646719 /nfs/dbraw/zinc/64/67/19/386646719.db2.gz PIGXOOKKYUDLSW-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccoc1 ZINC000279214693 386648871 /nfs/dbraw/zinc/64/88/71/386648871.db2.gz OEPXYRHAPSSDHH-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CCC(O)(CC)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279213280 386650488 /nfs/dbraw/zinc/65/04/88/386650488.db2.gz OCYAIGOOGDAKBP-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO Nc1c(NC2CCCC2)[nH+]cnc1-n1cccn1 ZINC000268446861 386651454 /nfs/dbraw/zinc/65/14/54/386651454.db2.gz IBGAGFKPHXNSPL-UHFFFAOYSA-N 1 2 244.302 1.599 20 0 BDADLO Cc1nc(CCNc2cc(C)[nH+]cn2)c(C)o1 ZINC000329074901 386601148 /nfs/dbraw/zinc/60/11/48/386601148.db2.gz BPOAJURAGGQRJU-UHFFFAOYSA-N 1 2 232.287 1.466 20 0 BDADLO COC1(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000648411065 386606489 /nfs/dbraw/zinc/60/64/89/386606489.db2.gz UPBQJJOUXLPKBL-DTWKUNHWSA-N 1 2 235.287 1.184 20 0 BDADLO COC1(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000648411066 386607180 /nfs/dbraw/zinc/60/71/80/386607180.db2.gz UPBQJJOUXLPKBL-IUCAKERBSA-N 1 2 235.287 1.184 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]1C1CC1 ZINC000335491204 386609209 /nfs/dbraw/zinc/60/92/09/386609209.db2.gz LWTVLQXBDUMAPI-AAEUAGOBSA-N 1 2 245.326 1.456 20 0 BDADLO CCC1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335491433 386609390 /nfs/dbraw/zinc/60/93/90/386609390.db2.gz NANLCXKAALUOQB-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493172 386611663 /nfs/dbraw/zinc/61/16/63/386611663.db2.gz XKUDQJLPBRYZCT-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493178 386611752 /nfs/dbraw/zinc/61/17/52/386611752.db2.gz XKUDQJLPBRYZCT-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C(C)(C)CO ZINC000644923132 386616098 /nfs/dbraw/zinc/61/60/98/386616098.db2.gz VUEHQZREPWVBBH-UHFFFAOYSA-N 1 2 235.234 1.210 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C(C)(C)CO ZINC000644923132 386616106 /nfs/dbraw/zinc/61/61/06/386616106.db2.gz VUEHQZREPWVBBH-UHFFFAOYSA-N 1 2 235.234 1.210 20 0 BDADLO CC[C@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000292378953 386660097 /nfs/dbraw/zinc/66/00/97/386660097.db2.gz SOPQRFFZTZAVOR-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000292378953 386660102 /nfs/dbraw/zinc/66/01/02/386660102.db2.gz SOPQRFFZTZAVOR-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1cnccn1 ZINC000425330567 386661912 /nfs/dbraw/zinc/66/19/12/386661912.db2.gz WIMNPSBJVIQTQA-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO CC(C)n1nccc1C[N@H+](C)Cc1ccnn1C ZINC000337227855 386666306 /nfs/dbraw/zinc/66/63/06/386666306.db2.gz GRWYVAKMZWSEBZ-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)n1nccc1C[N@@H+](C)Cc1ccnn1C ZINC000337227855 386666311 /nfs/dbraw/zinc/66/63/11/386666311.db2.gz GRWYVAKMZWSEBZ-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CO[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000520426750 386672685 /nfs/dbraw/zinc/67/26/85/386672685.db2.gz QANHRUZAUZNHDK-SNVBAGLBSA-N 1 2 247.298 1.407 20 0 BDADLO FC(F)COCCOc1cc[nH+]cc1 ZINC000292466801 386676725 /nfs/dbraw/zinc/67/67/25/386676725.db2.gz PKMPLZMLPAJNDQ-UHFFFAOYSA-N 1 2 203.188 1.742 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccccn2)[C@H](C)C1 ZINC000268667124 386679385 /nfs/dbraw/zinc/67/93/85/386679385.db2.gz JNXJRGVQYYXNTB-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccccn2)[C@H](C)C1 ZINC000268667124 386679389 /nfs/dbraw/zinc/67/93/89/386679389.db2.gz JNXJRGVQYYXNTB-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CC(C)n1cc(C[NH+]2CC(C(C)(C)O)C2)nn1 ZINC000331474088 386679860 /nfs/dbraw/zinc/67/98/60/386679860.db2.gz HGGCUWVHAXHVOK-UHFFFAOYSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)CCn2cccn2)o1 ZINC000357001089 386681061 /nfs/dbraw/zinc/68/10/61/386681061.db2.gz DYTGXFGKQZVXPG-NSHDSACASA-N 1 2 234.303 1.873 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)CCn2cccn2)o1 ZINC000357001089 386681075 /nfs/dbraw/zinc/68/10/75/386681075.db2.gz DYTGXFGKQZVXPG-NSHDSACASA-N 1 2 234.303 1.873 20 0 BDADLO C[C@H](O)CN(C)c1cc[nH+]c2ccncc21 ZINC000292376608 386658604 /nfs/dbraw/zinc/65/86/04/386658604.db2.gz PVPDFBGQLJZKAY-VIFPVBQESA-N 1 2 217.272 1.447 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000639260763 386709768 /nfs/dbraw/zinc/70/97/68/386709768.db2.gz FMHKULMBZYKBQF-JTQLQIEISA-N 1 2 242.269 1.578 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000639260763 386709774 /nfs/dbraw/zinc/70/97/74/386709774.db2.gz FMHKULMBZYKBQF-JTQLQIEISA-N 1 2 242.269 1.578 20 0 BDADLO CC(C)[N@H+](CCO)Cc1noc(C2CC2)n1 ZINC000050103879 386685003 /nfs/dbraw/zinc/68/50/03/386685003.db2.gz LGZIYIDNTNMLHB-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1noc(C2CC2)n1 ZINC000050103879 386685008 /nfs/dbraw/zinc/68/50/08/386685008.db2.gz LGZIYIDNTNMLHB-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](O)CSC)C(=O)OC ZINC000187890662 386690376 /nfs/dbraw/zinc/69/03/76/386690376.db2.gz JCGUWQVTGLDWHI-KOLCDFICSA-N 1 2 249.376 1.032 20 0 BDADLO CSCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000330381765 386694156 /nfs/dbraw/zinc/69/41/56/386694156.db2.gz NQYNAZZJZRBPCF-UHFFFAOYSA-N 1 2 227.333 1.415 20 0 BDADLO CSCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000330381765 386694164 /nfs/dbraw/zinc/69/41/64/386694164.db2.gz NQYNAZZJZRBPCF-UHFFFAOYSA-N 1 2 227.333 1.415 20 0 BDADLO CCc1cc(NC[C@@]2(O)CCCC2(C)C)nc[nH+]1 ZINC000645045714 386695795 /nfs/dbraw/zinc/69/57/95/386695795.db2.gz QSZDBEPZESBPFT-AWEZNQCLSA-N 1 2 249.358 1.814 20 0 BDADLO Cc1nnnn1Cc1ccc(C(C)C)[nH+]c1C ZINC000292603002 386696352 /nfs/dbraw/zinc/69/63/52/386696352.db2.gz HXEZVCJGVZLHDI-UHFFFAOYSA-N 1 2 231.303 1.857 20 0 BDADLO CSCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000520590350 386698059 /nfs/dbraw/zinc/69/80/59/386698059.db2.gz ZPHRJCDYYMSLIQ-SNVBAGLBSA-N 1 2 241.360 1.656 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC=CCC1 ZINC000279573930 386703945 /nfs/dbraw/zinc/70/39/45/386703945.db2.gz ZQUVMBKPHMQACW-SNVBAGLBSA-N 1 2 219.288 1.486 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC=CCC1 ZINC000279573930 386703955 /nfs/dbraw/zinc/70/39/55/386703955.db2.gz ZQUVMBKPHMQACW-SNVBAGLBSA-N 1 2 219.288 1.486 20 0 BDADLO Cc1cn[nH]c1CNCC[NH+]1CCC(C)CC1 ZINC000352843173 386704274 /nfs/dbraw/zinc/70/42/74/386704274.db2.gz YCSSVWGQALEUEV-UHFFFAOYSA-N 1 2 236.363 1.540 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000268846901 386704631 /nfs/dbraw/zinc/70/46/31/386704631.db2.gz BBCUWAHDVUWREH-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000268846901 386704638 /nfs/dbraw/zinc/70/46/38/386704638.db2.gz BBCUWAHDVUWREH-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cncs1 ZINC000339871649 386730397 /nfs/dbraw/zinc/73/03/97/386730397.db2.gz AAUFXCRGJNDMTP-UHFFFAOYSA-N 1 2 236.300 1.149 20 0 BDADLO O=C(c1ccncc1F)N1CC(n2cc[nH+]c2)C1 ZINC000524964813 259693994 /nfs/dbraw/zinc/69/39/94/259693994.db2.gz ZVSNUFRUCBQOPN-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1C(C)(C)C1(C)C ZINC000527029325 386734410 /nfs/dbraw/zinc/73/44/10/386734410.db2.gz RRPHEEJJZIFGPQ-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO COCc1nn(Cc2ccc(C)[nH+]c2C)c(=O)o1 ZINC000186631239 386735218 /nfs/dbraw/zinc/73/52/18/386735218.db2.gz FTMHJAVOTQROPM-UHFFFAOYSA-N 1 2 249.270 1.043 20 0 BDADLO Nc1ccc(CNC(=O)NCC(F)(F)F)c[nH+]1 ZINC000192030582 386737391 /nfs/dbraw/zinc/73/73/91/386737391.db2.gz IBSXVMPZLQCEQY-UHFFFAOYSA-N 1 2 248.208 1.025 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CCCSC1 ZINC000414496767 386739199 /nfs/dbraw/zinc/73/91/99/386739199.db2.gz ZLPLEXNPMGIJBF-MNOVXSKESA-N 1 2 243.372 1.813 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]Cc1cccn1C ZINC000414491387 386719118 /nfs/dbraw/zinc/71/91/18/386719118.db2.gz PXOOXPXWSNDBSU-GFCCVEGCSA-N 1 2 236.315 1.456 20 0 BDADLO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cocn2)C1 ZINC000414491488 386720877 /nfs/dbraw/zinc/72/08/77/386720877.db2.gz XGZNTVZRDDULIB-KBPBESRZSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cocn2)C1 ZINC000414491488 386720885 /nfs/dbraw/zinc/72/08/85/386720885.db2.gz XGZNTVZRDDULIB-KBPBESRZSA-N 1 2 244.294 1.983 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000279695216 386722732 /nfs/dbraw/zinc/72/27/32/386722732.db2.gz GLFFPIWATPBKMM-LLVKDONJSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000279695216 386722738 /nfs/dbraw/zinc/72/27/38/386722738.db2.gz GLFFPIWATPBKMM-LLVKDONJSA-N 1 2 224.304 1.922 20 0 BDADLO Cc1cc(NC[C@@H]2CCc3cccnc32)nc[nH+]1 ZINC000623283970 386729960 /nfs/dbraw/zinc/72/99/60/386729960.db2.gz SRYHTKBRVACUHH-LBPRGKRZSA-N 1 2 240.310 1.744 20 0 BDADLO Cc1cnn(CC[NH2+][C@H](C)c2nnc(C)o2)c1 ZINC000330510103 386745007 /nfs/dbraw/zinc/74/50/07/386745007.db2.gz AQUHZEOZSLUYES-SECBINFHSA-N 1 2 235.291 1.234 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CCn1cccn1 ZINC000279850300 386746208 /nfs/dbraw/zinc/74/62/08/386746208.db2.gz AXTQAYJGNACQFJ-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CCn1cccn1 ZINC000279850300 386746217 /nfs/dbraw/zinc/74/62/17/386746217.db2.gz AXTQAYJGNACQFJ-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO Cc1cc(=O)c(OCc2c[nH+]cn2C)co1 ZINC000279858044 386749343 /nfs/dbraw/zinc/74/93/43/386749343.db2.gz JVMWRNLOVYLRGB-UHFFFAOYSA-N 1 2 220.228 1.261 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)no1 ZINC000348527679 386751564 /nfs/dbraw/zinc/75/15/64/386751564.db2.gz IEWRZMGQXODDMP-YUMQZZPRSA-N 1 2 247.245 1.628 20 0 BDADLO CCC1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000292962897 386757378 /nfs/dbraw/zinc/75/73/78/386757378.db2.gz WDGJIFZNSXXDRZ-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO CC[C@H](F)C[NH2+][C@H](C)c1nncn1C ZINC000336664310 386761539 /nfs/dbraw/zinc/76/15/39/386761539.db2.gz UQXUDSQIFIMJJE-SFYZADRCSA-N 1 2 200.261 1.214 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)ncn1 ZINC000293005255 386764258 /nfs/dbraw/zinc/76/42/58/386764258.db2.gz ZLTCGASOHUKYQT-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)ncn1 ZINC000293005255 386764267 /nfs/dbraw/zinc/76/42/67/386764267.db2.gz ZLTCGASOHUKYQT-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO CC(C)[C@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000330550979 386765771 /nfs/dbraw/zinc/76/57/71/386765771.db2.gz MSZDTTBBPRBIFU-SECBINFHSA-N 1 2 222.288 1.830 20 0 BDADLO Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)on1 ZINC000334634984 386767350 /nfs/dbraw/zinc/76/73/50/386767350.db2.gz LBUNFIGJXAFMEW-UHFFFAOYSA-N 1 2 246.270 1.768 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]2OCC[C@H]21 ZINC000366538787 386767449 /nfs/dbraw/zinc/76/74/49/386767449.db2.gz FEWXZPDSMHBDFC-VXGBXAGGSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000293026861 386768991 /nfs/dbraw/zinc/76/89/91/386768991.db2.gz NFJJBQZMVLLDLK-MRVPVSSYSA-N 1 2 248.286 1.306 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000340863867 386792268 /nfs/dbraw/zinc/79/22/68/386792268.db2.gz CKWFTOVEFJRZLI-CYBMUJFWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000340863867 386792272 /nfs/dbraw/zinc/79/22/72/386792272.db2.gz CKWFTOVEFJRZLI-CYBMUJFWSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000269449348 386795328 /nfs/dbraw/zinc/79/53/28/386795328.db2.gz CARUFSLZDRJWTK-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1ccncc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000269449348 386795333 /nfs/dbraw/zinc/79/53/33/386795333.db2.gz CARUFSLZDRJWTK-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cn1ncnc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000527075365 386775029 /nfs/dbraw/zinc/77/50/29/386775029.db2.gz KTYBSRKPJKALKI-ZDUSSCGKSA-N 1 2 243.314 1.451 20 0 BDADLO CC(C)n1ccc(NCc2c[nH+]cn2C)n1 ZINC000280099230 386778253 /nfs/dbraw/zinc/77/82/53/386778253.db2.gz UJGIGNWLTDJYHM-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH+]1CC(O)(C2CC2)C1 ZINC000367137835 386778780 /nfs/dbraw/zinc/77/87/80/386778780.db2.gz LPDUNQNRFNUYPL-NSHDSACASA-N 1 2 241.331 1.031 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000639276990 386788031 /nfs/dbraw/zinc/78/80/31/386788031.db2.gz IPBBEDBFBKUXGM-AAEUAGOBSA-N 1 2 246.289 1.542 20 0 BDADLO Cc1ccc2[nH+]c(CNCc3cocn3)cn2c1 ZINC000341012296 386816433 /nfs/dbraw/zinc/81/64/33/386816433.db2.gz MPQHSWMVKZCAGO-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO CO[C@H](C(=O)Nc1cccc2[nH+]ccn21)C1CC1 ZINC000280465765 386818452 /nfs/dbraw/zinc/81/84/52/386818452.db2.gz OQVZGMVYABUPLL-LBPRGKRZSA-N 1 2 245.282 1.698 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC000293443134 386819681 /nfs/dbraw/zinc/81/96/81/386819681.db2.gz CCCXLCHJPJDXQR-VIFPVBQESA-N 1 2 245.273 1.578 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000293443134 386819684 /nfs/dbraw/zinc/81/96/84/386819684.db2.gz CCCXLCHJPJDXQR-VIFPVBQESA-N 1 2 245.273 1.578 20 0 BDADLO C/C=C\C[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000352877238 386823532 /nfs/dbraw/zinc/82/35/32/386823532.db2.gz OFHJMZVYCWMRKV-MVZIDQBPSA-N 1 2 249.314 1.261 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000340895739 386798556 /nfs/dbraw/zinc/79/85/56/386798556.db2.gz VOJDNHHFPYSYGV-CYBMUJFWSA-N 1 2 242.363 1.356 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000340895739 386798561 /nfs/dbraw/zinc/79/85/61/386798561.db2.gz VOJDNHHFPYSYGV-CYBMUJFWSA-N 1 2 242.363 1.356 20 0 BDADLO COc1cc[nH+]cc1NCc1cnc(C)nc1 ZINC000344861254 386803969 /nfs/dbraw/zinc/80/39/69/386803969.db2.gz VYKWALHYMGUKOO-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cc1cnc(NCc2ccc(N(C)C)[nH+]c2)nc1 ZINC000340050100 386804484 /nfs/dbraw/zinc/80/44/84/386804484.db2.gz QZXUXORDKQICQV-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1nocc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000293415718 386815353 /nfs/dbraw/zinc/81/53/53/386815353.db2.gz ZLPAXUUDKDLAID-NSHDSACASA-N 1 2 232.287 1.873 20 0 BDADLO CO[C@@H](C(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000280648602 386831613 /nfs/dbraw/zinc/83/16/13/386831613.db2.gz SHXVDPDDOVPDDJ-GFCCVEGCSA-N 1 2 249.314 1.035 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000293533853 386832883 /nfs/dbraw/zinc/83/28/83/386832883.db2.gz CAYMUBJVHOHWOH-BDAKNGLRSA-N 1 2 242.344 1.417 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000293533853 386832889 /nfs/dbraw/zinc/83/28/89/386832889.db2.gz CAYMUBJVHOHWOH-BDAKNGLRSA-N 1 2 242.344 1.417 20 0 BDADLO CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645171107 386836678 /nfs/dbraw/zinc/83/66/78/386836678.db2.gz WZMWLFJGEUGZJN-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO C[C@@H](CCO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280714351 386841075 /nfs/dbraw/zinc/84/10/75/386841075.db2.gz BMJHEJHHCMQNTO-VIFPVBQESA-N 1 2 248.286 1.227 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nc(CCOC)no1 ZINC000330279273 386843710 /nfs/dbraw/zinc/84/37/10/386843710.db2.gz QUHRDLWIOOXMNF-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nc(CCOC)no1 ZINC000330279273 386843720 /nfs/dbraw/zinc/84/37/20/386843720.db2.gz QUHRDLWIOOXMNF-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CC(C)c1nc(N[C@@H]2C=C[C@H](CO)C2)cc[nH+]1 ZINC000301475873 386848759 /nfs/dbraw/zinc/84/87/59/386848759.db2.gz ATTKWTQEQHHUJD-WDEREUQCSA-N 1 2 233.315 1.949 20 0 BDADLO CC(C)Cn1cc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000341170442 386850596 /nfs/dbraw/zinc/85/05/96/386850596.db2.gz CEKUYODSQYIOQY-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1cc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000341170442 386850602 /nfs/dbraw/zinc/85/06/02/386850602.db2.gz CEKUYODSQYIOQY-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO COc1ncncc1C[N@@H+]1CCSC[C@@H]1C ZINC000648008775 386851290 /nfs/dbraw/zinc/85/12/90/386851290.db2.gz YOAMMPJQMAPJAQ-VIFPVBQESA-N 1 2 239.344 1.423 20 0 BDADLO COc1ncncc1C[N@H+]1CCSC[C@@H]1C ZINC000648008775 386851295 /nfs/dbraw/zinc/85/12/95/386851295.db2.gz YOAMMPJQMAPJAQ-VIFPVBQESA-N 1 2 239.344 1.423 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330677815 386853899 /nfs/dbraw/zinc/85/38/99/386853899.db2.gz VRYKGFVQRYREOW-QMMMGPOBSA-N 1 2 237.303 1.171 20 0 BDADLO CCC[C@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301914178 386891717 /nfs/dbraw/zinc/89/17/17/386891717.db2.gz URSCHOKGZYBLLT-VIFPVBQESA-N 1 2 246.314 1.785 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000366727313 386891880 /nfs/dbraw/zinc/89/18/80/386891880.db2.gz AHUFAPQRIGQMEV-WDEREUQCSA-N 1 2 248.326 1.791 20 0 BDADLO CCC1(CC)[C@H]([NH2+]CC(=O)OC)C[C@H]1OC ZINC000191379569 386892707 /nfs/dbraw/zinc/89/27/07/386892707.db2.gz LLHGFMXGBGBJNG-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330677814 386854055 /nfs/dbraw/zinc/85/40/55/386854055.db2.gz VRYKGFVQRYREOW-MRVPVSSYSA-N 1 2 237.303 1.171 20 0 BDADLO CCSCC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425347773 386860713 /nfs/dbraw/zinc/86/07/13/386860713.db2.gz MDAUAEFENXCNJO-UHFFFAOYSA-N 1 2 216.350 1.251 20 0 BDADLO CCSCC[N@H+]1CCN(C(=O)CC)C1 ZINC000425347773 386860719 /nfs/dbraw/zinc/86/07/19/386860719.db2.gz MDAUAEFENXCNJO-UHFFFAOYSA-N 1 2 216.350 1.251 20 0 BDADLO CCC1(C(=O)NCc2[nH]cc[nH+]2)CCOCC1 ZINC000330721980 386868543 /nfs/dbraw/zinc/86/85/43/386868543.db2.gz HKZYHJNUDXSALV-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO CS[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000357950734 386870449 /nfs/dbraw/zinc/87/04/49/386870449.db2.gz KTKZCTYHTGTWLD-ZETCQYMHSA-N 1 2 238.316 1.818 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334832625 386871155 /nfs/dbraw/zinc/87/11/55/386871155.db2.gz RGSSOGTYKRXKIQ-WDEREUQCSA-N 1 2 247.342 1.608 20 0 BDADLO CCCc1nc(C[NH2+]C(C)(C)C(C)(C)O)no1 ZINC000330751873 386878101 /nfs/dbraw/zinc/87/81/01/386878101.db2.gz BRLMRLLQJDSGKL-UHFFFAOYSA-N 1 2 241.335 1.661 20 0 BDADLO CC[C@H]1CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000293853646 386890442 /nfs/dbraw/zinc/89/04/42/386890442.db2.gz BYZIAUGLQPLLRY-LBPRGKRZSA-N 1 2 243.310 1.888 20 0 BDADLO CO[C@@H](C)CN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000367912137 386918661 /nfs/dbraw/zinc/91/86/61/386918661.db2.gz RVWVTPILXNOFHZ-NSHDSACASA-N 1 2 246.314 1.738 20 0 BDADLO CCN(CC)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367920963 386919129 /nfs/dbraw/zinc/91/91/29/386919129.db2.gz MQJAHSKIHFHTCF-QWHCGFSZSA-N 1 2 241.379 1.038 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329138851 386897323 /nfs/dbraw/zinc/89/73/23/386897323.db2.gz INBZOVTVMXQWDE-UWVGGRQHSA-N 1 2 235.287 1.252 20 0 BDADLO CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)O ZINC000293894870 386898729 /nfs/dbraw/zinc/89/87/29/386898729.db2.gz DTJFTRKAHGRXCO-SECBINFHSA-N 1 2 239.319 1.008 20 0 BDADLO CSCc1cnc(C[N@H+](C)C[C@@H](C)O)s1 ZINC000293916722 386903138 /nfs/dbraw/zinc/90/31/38/386903138.db2.gz MHHZOHOTCLMIRP-MRVPVSSYSA-N 1 2 246.401 1.819 20 0 BDADLO CSCc1cnc(C[N@@H+](C)C[C@@H](C)O)s1 ZINC000293916722 386903140 /nfs/dbraw/zinc/90/31/40/386903140.db2.gz MHHZOHOTCLMIRP-MRVPVSSYSA-N 1 2 246.401 1.819 20 0 BDADLO COCc1noc([C@@H](C)[N@H+]2CC=C(C)CC2)n1 ZINC000330860144 386903297 /nfs/dbraw/zinc/90/32/97/386903297.db2.gz VXIVNHCJFRCOSF-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+]2CC=C(C)CC2)n1 ZINC000330860144 386903302 /nfs/dbraw/zinc/90/33/02/386903302.db2.gz VXIVNHCJFRCOSF-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1[nH]ncc1C ZINC000352889691 386904370 /nfs/dbraw/zinc/90/43/70/386904370.db2.gz IHDXCDPCAXZJFR-SNVBAGLBSA-N 1 2 246.314 1.973 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000352889691 386904375 /nfs/dbraw/zinc/90/43/75/386904375.db2.gz IHDXCDPCAXZJFR-SNVBAGLBSA-N 1 2 246.314 1.973 20 0 BDADLO C[C@H]1[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1(F)F ZINC000335763635 386905035 /nfs/dbraw/zinc/90/50/35/386905035.db2.gz OLNAQJXTLAREDP-POYBYMJQSA-N 1 2 229.230 1.269 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335765004 386906597 /nfs/dbraw/zinc/90/65/97/386906597.db2.gz JULMVSCOLWUEFY-IUCAKERBSA-N 1 2 239.344 1.066 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000335767601 386909777 /nfs/dbraw/zinc/90/97/77/386909777.db2.gz AQJNIOKUFIVPBL-SECBINFHSA-N 1 2 212.272 1.150 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCn2nc(C)nc2C1 ZINC000335767601 386909781 /nfs/dbraw/zinc/90/97/81/386909781.db2.gz AQJNIOKUFIVPBL-SECBINFHSA-N 1 2 212.272 1.150 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(O)c1F ZINC000335767251 386910379 /nfs/dbraw/zinc/91/03/79/386910379.db2.gz QLJFSMKOAYKMOA-SECBINFHSA-N 1 2 238.262 1.564 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334861049 386912785 /nfs/dbraw/zinc/91/27/85/386912785.db2.gz ARZNADISROHVFT-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334861049 386912790 /nfs/dbraw/zinc/91/27/90/386912790.db2.gz ARZNADISROHVFT-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000334865406 386922512 /nfs/dbraw/zinc/92/25/12/386922512.db2.gz SAXXJZILOSWGSI-LBPRGKRZSA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000334865406 386922516 /nfs/dbraw/zinc/92/25/16/386922516.db2.gz SAXXJZILOSWGSI-LBPRGKRZSA-N 1 2 249.289 1.733 20 0 BDADLO CCN1CC[N@H+](Cc2ccoc2C)CC1=O ZINC000334867836 386925889 /nfs/dbraw/zinc/92/58/89/386925889.db2.gz LLKBBZLUGANRFS-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CCN1CC[N@@H+](Cc2ccoc2C)CC1=O ZINC000334867836 386925894 /nfs/dbraw/zinc/92/58/94/386925894.db2.gz LLKBBZLUGANRFS-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000341603391 386931215 /nfs/dbraw/zinc/93/12/15/386931215.db2.gz AEUQOINTTMXRRX-MWLCHTKSSA-N 1 2 237.303 1.263 20 0 BDADLO CC(C)c1cc(C(=O)Nc2cc[nH+]cc2O)no1 ZINC000358344630 386938567 /nfs/dbraw/zinc/93/85/67/386938567.db2.gz XIWRDCBSDCOQRU-UHFFFAOYSA-N 1 2 247.254 1.573 20 0 BDADLO COC[C@H](O)CCNc1[nH+]ccc(C)c1Cl ZINC000336762755 386940307 /nfs/dbraw/zinc/94/03/07/386940307.db2.gz LOCCHYOKMZRTTM-SECBINFHSA-N 1 2 244.722 1.853 20 0 BDADLO CCCCN(CC)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302858528 386940989 /nfs/dbraw/zinc/94/09/89/386940989.db2.gz SZWYHHCGOLIGBP-UHFFFAOYSA-N 1 2 248.334 1.572 20 0 BDADLO CN(c1[nH+]cnc2c1cnn2C)[C@H]1CC1(C)C ZINC000302856155 386941514 /nfs/dbraw/zinc/94/15/14/386941514.db2.gz LPCCYTWLIGEHPO-VIFPVBQESA-N 1 2 231.303 1.598 20 0 BDADLO COc1c(C[NH2+]Cc2[nH]ncc2C)c(C)nn1C ZINC000352906461 386956901 /nfs/dbraw/zinc/95/69/01/386956901.db2.gz WGKZGLDXYHROEF-UHFFFAOYSA-N 1 2 249.318 1.058 20 0 BDADLO COc1c(C[NH2+]Cc2n[nH]cc2C)c(C)nn1C ZINC000352906461 386956907 /nfs/dbraw/zinc/95/69/07/386956907.db2.gz WGKZGLDXYHROEF-UHFFFAOYSA-N 1 2 249.318 1.058 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000334886138 386958787 /nfs/dbraw/zinc/95/87/87/386958787.db2.gz ZFBNAHIGMFARIE-DTWKUNHWSA-N 1 2 220.272 1.584 20 0 BDADLO CC(C)n1ccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000358584083 386985306 /nfs/dbraw/zinc/98/53/06/386985306.db2.gz GKISHYNKQGZLNP-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO CC(C)n1ccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000358584083 386985311 /nfs/dbraw/zinc/98/53/11/386985311.db2.gz GKISHYNKQGZLNP-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000528472171 386988041 /nfs/dbraw/zinc/98/80/41/386988041.db2.gz KKXRIKDGHUZESO-OTOXVQDCSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000528472171 386988045 /nfs/dbraw/zinc/98/80/45/386988045.db2.gz KKXRIKDGHUZESO-OTOXVQDCSA-N 1 2 216.712 1.339 20 0 BDADLO CC[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(N)=O ZINC000331197633 386988356 /nfs/dbraw/zinc/98/83/56/386988356.db2.gz SWOVLRQAPCAMFZ-SSDOTTSWSA-N 1 2 238.291 1.117 20 0 BDADLO C[NH+](C)CC(=O)Nc1cccc2c1OCCC2=O ZINC000368606562 386992238 /nfs/dbraw/zinc/99/22/38/386992238.db2.gz VZQUTYSLQSTDKZ-UHFFFAOYSA-N 1 2 248.282 1.152 20 0 BDADLO Cc1nc(N2C[C@H](C)S[C@@H](C)C2)nc(N)[nH+]1 ZINC000304511197 386999860 /nfs/dbraw/zinc/99/98/60/386999860.db2.gz RDQRCIGZASJNPA-BQBZGAKWSA-N 1 2 239.348 1.092 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)S[C@@H](C)C2)[nH+]1 ZINC000304511197 386999863 /nfs/dbraw/zinc/99/98/63/386999863.db2.gz RDQRCIGZASJNPA-BQBZGAKWSA-N 1 2 239.348 1.092 20 0 BDADLO C[NH2+]Cc1noc(CC2(C)CCCC2)n1 ZINC000332690659 387001530 /nfs/dbraw/zinc/00/15/30/387001530.db2.gz KHROQBIAOWGEIF-UHFFFAOYSA-N 1 2 209.293 1.912 20 0 BDADLO COC[C@@]1(C)CC[N@H+](Cc2noc(C)n2)C1 ZINC000332679432 387001541 /nfs/dbraw/zinc/00/15/41/387001541.db2.gz JQTBIQRSRRPWAU-NSHDSACASA-N 1 2 225.292 1.236 20 0 BDADLO COC[C@@]1(C)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000332679432 387001546 /nfs/dbraw/zinc/00/15/46/387001546.db2.gz JQTBIQRSRRPWAU-NSHDSACASA-N 1 2 225.292 1.236 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000332734354 387005419 /nfs/dbraw/zinc/00/54/19/387005419.db2.gz VJOLOLISZSEIRF-DTWKUNHWSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000332734354 387005426 /nfs/dbraw/zinc/00/54/26/387005426.db2.gz VJOLOLISZSEIRF-DTWKUNHWSA-N 1 2 225.292 1.446 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425381942 387033936 /nfs/dbraw/zinc/03/39/36/387033936.db2.gz GUFJWUKYUJCKCD-ZETCQYMHSA-N 1 2 247.245 1.212 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425381942 387033944 /nfs/dbraw/zinc/03/39/44/387033944.db2.gz GUFJWUKYUJCKCD-ZETCQYMHSA-N 1 2 247.245 1.212 20 0 BDADLO CC[NH+]1CCN(C[C@@H](OC)C2CC2)CC1 ZINC000425388954 387038510 /nfs/dbraw/zinc/03/85/10/387038510.db2.gz XWKZFQJKHJIDAZ-GFCCVEGCSA-N 1 2 212.337 1.049 20 0 BDADLO CC[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)c1[nH]cc[nH+]1 ZINC000333561727 387043716 /nfs/dbraw/zinc/04/37/16/387043716.db2.gz RPINOXDKBHANBY-GBIKHYSHSA-N 1 2 249.314 1.404 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000334964847 387044631 /nfs/dbraw/zinc/04/46/31/387044631.db2.gz VQOYUPPPKKUHDF-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C(C)(F)F ZINC000334979165 387066755 /nfs/dbraw/zinc/06/67/55/387066755.db2.gz FCFNIBIJPJBFOG-MRVPVSSYSA-N 1 2 243.257 1.977 20 0 BDADLO C[C@]12C[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333755495 387053803 /nfs/dbraw/zinc/05/38/03/387053803.db2.gz YMGRDZTVLDJLJO-KEPMVKOISA-N 1 2 248.330 1.378 20 0 BDADLO C[C@]12C[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333755495 387053804 /nfs/dbraw/zinc/05/38/04/387053804.db2.gz YMGRDZTVLDJLJO-KEPMVKOISA-N 1 2 248.330 1.378 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000418035529 387059966 /nfs/dbraw/zinc/05/99/66/387059966.db2.gz VEOFRGCSLQPKAR-SMDDNHRTSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000418035529 387059971 /nfs/dbraw/zinc/05/99/71/387059971.db2.gz VEOFRGCSLQPKAR-SMDDNHRTSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000418035529 387059977 /nfs/dbraw/zinc/05/99/77/387059977.db2.gz VEOFRGCSLQPKAR-SMDDNHRTSA-N 1 2 249.358 1.902 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC1(F)F ZINC000336223712 387064205 /nfs/dbraw/zinc/06/42/05/387064205.db2.gz RNAGAYJPJSXXIA-QMMMGPOBSA-N 1 2 226.226 1.660 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccccn1 ZINC000284099045 387064556 /nfs/dbraw/zinc/06/45/56/387064556.db2.gz PZMSXHSQPCEEDL-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccccn1 ZINC000284099045 387064559 /nfs/dbraw/zinc/06/45/59/387064559.db2.gz PZMSXHSQPCEEDL-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO CCc1ncc(C[NH+]2CC(C)(C(=O)OC)C2)cn1 ZINC000425373234 387014225 /nfs/dbraw/zinc/01/42/25/387014225.db2.gz MCLMFWZNEKNORE-UHFFFAOYSA-N 1 2 249.314 1.034 20 0 BDADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)on1 ZINC000358788498 387014518 /nfs/dbraw/zinc/01/45/18/387014518.db2.gz GMQWSSWFANIGBC-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO COc1ncncc1C[N@H+]1CC=CCC1 ZINC000648021635 387016496 /nfs/dbraw/zinc/01/64/96/387016496.db2.gz CXJMOERCKRCGHM-UHFFFAOYSA-N 1 2 205.261 1.247 20 0 BDADLO COc1ncncc1C[N@@H+]1CC=CCC1 ZINC000648021635 387016499 /nfs/dbraw/zinc/01/64/99/387016499.db2.gz CXJMOERCKRCGHM-UHFFFAOYSA-N 1 2 205.261 1.247 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000331345394 387016855 /nfs/dbraw/zinc/01/68/55/387016855.db2.gz VKZDFGUFPNSLDL-VIFPVBQESA-N 1 2 238.287 1.836 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2C)n1 ZINC000331345394 387016859 /nfs/dbraw/zinc/01/68/59/387016859.db2.gz VKZDFGUFPNSLDL-VIFPVBQESA-N 1 2 238.287 1.836 20 0 BDADLO FC(F)CC1C[NH+](Cc2cncnc2)C1 ZINC000425367486 387026780 /nfs/dbraw/zinc/02/67/80/387026780.db2.gz SWLRMPQAFHJZHF-UHFFFAOYSA-N 1 2 213.231 1.564 20 0 BDADLO c1cc(C[NH2+]Cc2cnc(C3CC3)nc2)on1 ZINC000648023542 387027543 /nfs/dbraw/zinc/02/75/43/387027543.db2.gz LRWLCAYQYBZEBQ-UHFFFAOYSA-N 1 2 230.271 1.632 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C12CCC(CC1)C2 ZINC000336230132 387069164 /nfs/dbraw/zinc/06/91/64/387069164.db2.gz IPRGISITAWTMNR-UHFFFAOYSA-N 1 2 233.315 1.948 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(F)ccc1O ZINC000334983962 387071445 /nfs/dbraw/zinc/07/14/45/387071445.db2.gz ITDOCSMGBXBMKH-UHFFFAOYSA-N 1 2 249.245 1.744 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCCNC2=O)o1 ZINC000369827985 387072250 /nfs/dbraw/zinc/07/22/50/387072250.db2.gz CDZRPVWKHBMOHR-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCCCNC2=O)o1 ZINC000369827985 387072256 /nfs/dbraw/zinc/07/22/56/387072256.db2.gz CDZRPVWKHBMOHR-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000336237318 387073446 /nfs/dbraw/zinc/07/34/46/387073446.db2.gz YCPIWBFFLYTFSC-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000336237318 387073450 /nfs/dbraw/zinc/07/34/50/387073450.db2.gz YCPIWBFFLYTFSC-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO Clc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000336239292 387074985 /nfs/dbraw/zinc/07/49/85/387074985.db2.gz XQXUBRVYAPLYRV-UHFFFAOYSA-N 1 2 248.717 1.988 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC000334988344 387077309 /nfs/dbraw/zinc/07/73/09/387077309.db2.gz MOZVNYSPGKXIBK-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC000334988344 387077312 /nfs/dbraw/zinc/07/73/12/387077312.db2.gz MOZVNYSPGKXIBK-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO CC(C)c1nc(N[C@H](C)[C@@H]2CCOC2)cc[nH+]1 ZINC000359314945 387083565 /nfs/dbraw/zinc/08/35/65/387083565.db2.gz XSJDZVKKJAFOGJ-GHMZBOCLSA-N 1 2 235.331 1.859 20 0 BDADLO CCn1c[nH+]cc1CN(C1CC1)C1COC1 ZINC000418073416 387084637 /nfs/dbraw/zinc/08/46/37/387084637.db2.gz CSUVJFACJADUIR-UHFFFAOYSA-N 1 2 221.304 1.266 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2(C)CCC2)C1 ZINC000418076752 387087499 /nfs/dbraw/zinc/08/74/99/387087499.db2.gz RTRSWWHWNXABFO-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO CC[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000334996376 387087669 /nfs/dbraw/zinc/08/76/69/387087669.db2.gz XFZKYTISBIWWBQ-UHFFFAOYSA-N 1 2 201.701 1.834 20 0 BDADLO CC[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000334996376 387087676 /nfs/dbraw/zinc/08/76/76/387087676.db2.gz XFZKYTISBIWWBQ-UHFFFAOYSA-N 1 2 201.701 1.834 20 0 BDADLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259808 387089525 /nfs/dbraw/zinc/08/95/25/387089525.db2.gz USXYJZMQNADNRQ-GHMZBOCLSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259808 387089527 /nfs/dbraw/zinc/08/95/27/387089527.db2.gz USXYJZMQNADNRQ-GHMZBOCLSA-N 1 2 242.338 1.868 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCCCC1 ZINC000336259439 387089918 /nfs/dbraw/zinc/08/99/18/387089918.db2.gz ASNRILHNAASCRR-SNVBAGLBSA-N 1 2 214.284 1.043 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCCCC1 ZINC000336259439 387089924 /nfs/dbraw/zinc/08/99/24/387089924.db2.gz ASNRILHNAASCRR-SNVBAGLBSA-N 1 2 214.284 1.043 20 0 BDADLO CO[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000352349679 387093254 /nfs/dbraw/zinc/09/32/54/387093254.db2.gz GBDHMFNIPJLUQL-GHMZBOCLSA-N 1 2 239.319 1.059 20 0 BDADLO CC(C)CCC[NH+]1CC(S(C)(=O)=O)C1 ZINC000418086021 387093761 /nfs/dbraw/zinc/09/37/61/387093761.db2.gz XJKAYBKMWVMNGJ-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO C[NH2+]Cc1noc(C[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC000333940909 387094892 /nfs/dbraw/zinc/09/48/92/387094892.db2.gz ONLUVWUYGWPHIC-XHNCKOQMSA-N 1 2 207.277 1.378 20 0 BDADLO CO[C@H](C[NH2+]Cc1cn[nH]c1C)CC(C)C ZINC000418093830 387100257 /nfs/dbraw/zinc/10/02/57/387100257.db2.gz HHSMYQRBPPVREX-LBPRGKRZSA-N 1 2 225.336 1.869 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@]2(C)CCCO2)c[nH+]1 ZINC000334947685 387110852 /nfs/dbraw/zinc/11/08/52/387110852.db2.gz LLOCEHUXMHRPGH-LLVKDONJSA-N 1 2 223.276 1.017 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)C ZINC000069068929 387113597 /nfs/dbraw/zinc/11/35/97/387113597.db2.gz BHXMVPCXMZJXNX-SECBINFHSA-N 1 2 210.277 1.361 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)C ZINC000069068929 387113601 /nfs/dbraw/zinc/11/36/01/387113601.db2.gz BHXMVPCXMZJXNX-SECBINFHSA-N 1 2 210.277 1.361 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000353091180 387114036 /nfs/dbraw/zinc/11/40/36/387114036.db2.gz CDZVDNDAYAIOQE-JMJZKYOTSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000353091180 387114045 /nfs/dbraw/zinc/11/40/45/387114045.db2.gz CDZVDNDAYAIOQE-JMJZKYOTSA-N 1 2 224.304 1.981 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370428051 387116772 /nfs/dbraw/zinc/11/67/72/387116772.db2.gz LKEAKTTUTVPWBY-GHMZBOCLSA-N 1 2 235.331 1.702 20 0 BDADLO Cc1[nH][nH]c(=NC(=O)Nc2cc[nH+]c(C)c2)c1C ZINC000336291263 387122397 /nfs/dbraw/zinc/12/23/97/387122397.db2.gz WBHZZDGWFBHSCU-UHFFFAOYSA-N 1 2 245.286 1.218 20 0 BDADLO OC[C@H](CC1CCCCC1)[NH2+]Cc1ccn[nH]1 ZINC000418124109 387122581 /nfs/dbraw/zinc/12/25/81/387122581.db2.gz GYLQRXXFBKCAIG-ZDUSSCGKSA-N 1 2 237.347 1.831 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)C(=O)OC ZINC000228728096 387125083 /nfs/dbraw/zinc/12/50/83/387125083.db2.gz HIZNNKYYPKAHOZ-LPEHRKFASA-N 1 2 229.320 1.341 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](O)C2)n1 ZINC000074324047 387127316 /nfs/dbraw/zinc/12/73/16/387127316.db2.gz NSNAFTADHMFDCW-DTWKUNHWSA-N 1 2 225.292 1.321 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](O)C2)n1 ZINC000074324047 387127318 /nfs/dbraw/zinc/12/73/18/387127318.db2.gz NSNAFTADHMFDCW-DTWKUNHWSA-N 1 2 225.292 1.321 20 0 BDADLO COCCCCCNc1[nH+]cnc2c1cnn2C ZINC000058554265 387192405 /nfs/dbraw/zinc/19/24/05/387192405.db2.gz UOYVMIPLUIAFFZ-UHFFFAOYSA-N 1 2 249.318 1.592 20 0 BDADLO CCCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000186920826 387144934 /nfs/dbraw/zinc/14/49/34/387144934.db2.gz UWIUJGXCILJROI-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000186920826 387144939 /nfs/dbraw/zinc/14/49/39/387144939.db2.gz UWIUJGXCILJROI-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3ncccn3)C2)c1 ZINC000352390873 387146313 /nfs/dbraw/zinc/14/63/13/387146313.db2.gz HNYAONLMQCVJIM-LBPRGKRZSA-N 1 2 243.314 1.429 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ncccn3)C2)c1 ZINC000352390873 387146325 /nfs/dbraw/zinc/14/63/25/387146325.db2.gz HNYAONLMQCVJIM-LBPRGKRZSA-N 1 2 243.314 1.429 20 0 BDADLO Cn1cc(CC[N@@H+]2CCC[C@H]2C(F)F)cn1 ZINC000353172229 387147859 /nfs/dbraw/zinc/14/78/59/387147859.db2.gz MUDITZQSTOBTLO-JTQLQIEISA-N 1 2 229.274 1.692 20 0 BDADLO Cn1cc(CC[N@H+]2CCC[C@H]2C(F)F)cn1 ZINC000353172229 387147864 /nfs/dbraw/zinc/14/78/64/387147864.db2.gz MUDITZQSTOBTLO-JTQLQIEISA-N 1 2 229.274 1.692 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000336321038 387150956 /nfs/dbraw/zinc/15/09/56/387150956.db2.gz VKJKOSNPNBQDFX-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC000336321038 387150957 /nfs/dbraw/zinc/15/09/57/387150957.db2.gz VKJKOSNPNBQDFX-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1c(C)nsc1C ZINC000571723268 387151458 /nfs/dbraw/zinc/15/14/58/387151458.db2.gz CGZZIVWBLLIAHQ-UHFFFAOYSA-N 1 2 227.333 1.067 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1c(C)nsc1C ZINC000571723268 387151461 /nfs/dbraw/zinc/15/14/61/387151461.db2.gz CGZZIVWBLLIAHQ-UHFFFAOYSA-N 1 2 227.333 1.067 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1ncnn1C(C)C ZINC000353216289 387158549 /nfs/dbraw/zinc/15/85/49/387158549.db2.gz DTGUDXDSTJANKJ-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1ncnn1C(C)C ZINC000353216289 387158551 /nfs/dbraw/zinc/15/85/51/387158551.db2.gz DTGUDXDSTJANKJ-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C)s1 ZINC000353249808 387163424 /nfs/dbraw/zinc/16/34/24/387163424.db2.gz ASTSGXIBGSWZLM-ZETCQYMHSA-N 1 2 215.322 1.313 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000353249808 387163428 /nfs/dbraw/zinc/16/34/28/387163428.db2.gz ASTSGXIBGSWZLM-ZETCQYMHSA-N 1 2 215.322 1.313 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000229375960 387167174 /nfs/dbraw/zinc/16/71/74/387167174.db2.gz QNQYUPMZEOAGTD-AXFHLTTASA-N 1 2 231.336 1.587 20 0 BDADLO CCN(CC(=O)OC)Cc1c[nH+]c2ccccn12 ZINC000353283785 387170141 /nfs/dbraw/zinc/17/01/41/387170141.db2.gz RTPPPFZBBOKIHP-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO Cc1nc(N(C)C2CC(O)C2)c(C)c(C)[nH+]1 ZINC000353282945 387171218 /nfs/dbraw/zinc/17/12/18/387171218.db2.gz SAGICPAWIGWNSG-UHFFFAOYSA-N 1 2 221.304 1.361 20 0 BDADLO O=C1NCC[C@H]1[NH+]1CC(Cc2ccccc2F)C1 ZINC000371205237 387172582 /nfs/dbraw/zinc/17/25/82/387172582.db2.gz PSGCGNLDQRJUPP-CYBMUJFWSA-N 1 2 248.301 1.189 20 0 BDADLO Cc1csc(C[N@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000371196015 387172916 /nfs/dbraw/zinc/17/29/16/387172916.db2.gz BFDBTNCEGWFAFO-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1csc(C[N@@H+]2CCNC(=O)C[C@H]2C)n1 ZINC000371196015 387172920 /nfs/dbraw/zinc/17/29/20/387172920.db2.gz BFDBTNCEGWFAFO-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H](F)C1 ZINC000571804313 387173357 /nfs/dbraw/zinc/17/33/57/387173357.db2.gz CAEAPLKXPBLXKZ-VHSXEESVSA-N 1 2 225.267 1.280 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)on1 ZINC000571888868 387193767 /nfs/dbraw/zinc/19/37/67/387193767.db2.gz UYDAVLLNKHHMEW-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000353336248 387182651 /nfs/dbraw/zinc/18/26/51/387182651.db2.gz NFISLGOMDMBJSP-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1ncnn1C)c1ccn(C)n1 ZINC000353343235 387185518 /nfs/dbraw/zinc/18/55/18/387185518.db2.gz JFQJSGDHYLSJHD-ZJUUUORDSA-N 1 2 248.334 1.351 20 0 BDADLO Cc1ccc(C)c(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000119419321 387134766 /nfs/dbraw/zinc/13/47/66/387134766.db2.gz SOZCOZKXNLHBQE-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO Cc1ccc(C)c(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000119419321 387134769 /nfs/dbraw/zinc/13/47/69/387134769.db2.gz SOZCOZKXNLHBQE-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO c1cn(C[C@@H]2CCCC[N@@H+]2Cc2ccon2)nn1 ZINC000370695462 387136696 /nfs/dbraw/zinc/13/66/96/387136696.db2.gz AQYVHLNYWUJETP-LBPRGKRZSA-N 1 2 247.302 1.321 20 0 BDADLO c1cn(C[C@@H]2CCCC[N@H+]2Cc2ccon2)nn1 ZINC000370695462 387136700 /nfs/dbraw/zinc/13/67/00/387136700.db2.gz AQYVHLNYWUJETP-LBPRGKRZSA-N 1 2 247.302 1.321 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000336312726 387139544 /nfs/dbraw/zinc/13/95/44/387139544.db2.gz BKHDPZCCAUEWPW-KOLCDFICSA-N 1 2 228.267 1.450 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000336312726 387139549 /nfs/dbraw/zinc/13/95/49/387139549.db2.gz BKHDPZCCAUEWPW-KOLCDFICSA-N 1 2 228.267 1.450 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000370745577 387140306 /nfs/dbraw/zinc/14/03/06/387140306.db2.gz SBWFCDPXIVKSEK-JTQLQIEISA-N 1 2 249.343 1.609 20 0 BDADLO Cn1nnnc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000370745577 387140313 /nfs/dbraw/zinc/14/03/13/387140313.db2.gz SBWFCDPXIVKSEK-JTQLQIEISA-N 1 2 249.343 1.609 20 0 BDADLO C[C@@H](F)CCNc1nc[nH+]c(N)c1Cl ZINC000306469577 387203489 /nfs/dbraw/zinc/20/34/89/387203489.db2.gz PNZGZMZROLALRD-RXMQYKEDSA-N 1 2 218.663 1.872 20 0 BDADLO C[C@@H](F)CCNc1[nH+]cnc(N)c1Cl ZINC000306469577 387203494 /nfs/dbraw/zinc/20/34/94/387203494.db2.gz PNZGZMZROLALRD-RXMQYKEDSA-N 1 2 218.663 1.872 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336376568 387206720 /nfs/dbraw/zinc/20/67/20/387206720.db2.gz SJFRBVRXNNHLGA-VIFPVBQESA-N 1 2 231.259 1.110 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336376568 387206725 /nfs/dbraw/zinc/20/67/25/387206725.db2.gz SJFRBVRXNNHLGA-VIFPVBQESA-N 1 2 231.259 1.110 20 0 BDADLO COc1ccc(F)c(NCCn2cc[nH+]c2)n1 ZINC000571938334 387206813 /nfs/dbraw/zinc/20/68/13/387206813.db2.gz DMNSHMRDNYBBTG-UHFFFAOYSA-N 1 2 236.250 1.538 20 0 BDADLO Cc1cnn(C)c1C[NH2+]Cc1nccs1 ZINC000285250898 387252828 /nfs/dbraw/zinc/25/28/28/387252828.db2.gz AOQBPUQLYDZMQI-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO O=C(C1CC(=O)C1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336386666 387216815 /nfs/dbraw/zinc/21/68/15/387216815.db2.gz SPKQKYPCNWEKKB-JTQLQIEISA-N 1 2 233.271 1.052 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](O)C2)no1 ZINC000336392877 387221145 /nfs/dbraw/zinc/22/11/45/387221145.db2.gz UALVSZBSLWUCOV-LLVKDONJSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](O)C2)no1 ZINC000336392877 387221149 /nfs/dbraw/zinc/22/11/49/387221149.db2.gz UALVSZBSLWUCOV-LLVKDONJSA-N 1 2 238.331 1.929 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000336400746 387228810 /nfs/dbraw/zinc/22/88/10/387228810.db2.gz CESDNWZLHVIMRL-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000336400746 387228815 /nfs/dbraw/zinc/22/88/15/387228815.db2.gz CESDNWZLHVIMRL-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000336406481 387235453 /nfs/dbraw/zinc/23/54/53/387235453.db2.gz WFRRRYJRQNQCOZ-NSHDSACASA-N 1 2 234.299 1.708 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn2ccccc12 ZINC000336406242 387235568 /nfs/dbraw/zinc/23/55/68/387235568.db2.gz VSGOTNLHEBDNHX-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn2ccccc12 ZINC000336406242 387235572 /nfs/dbraw/zinc/23/55/72/387235572.db2.gz VSGOTNLHEBDNHX-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360174918 387237947 /nfs/dbraw/zinc/23/79/47/387237947.db2.gz GQJCZUVMEXXEDN-NXEZZACHSA-N 1 2 221.304 1.804 20 0 BDADLO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000336409395 387239008 /nfs/dbraw/zinc/23/90/08/387239008.db2.gz DWSDWCQVXGLUDS-PHIMTYICSA-N 1 2 247.342 1.946 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000424665913 387241409 /nfs/dbraw/zinc/24/14/09/387241409.db2.gz OLBHWLZLVDYSSK-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000424666018 387242235 /nfs/dbraw/zinc/24/22/35/387242235.db2.gz OLBHWLZLVDYSSK-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@@H]2CC)cn1 ZINC000120432617 387245553 /nfs/dbraw/zinc/24/55/53/387245553.db2.gz KSIOJSGNOQFWST-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@@H]2CC)cn1 ZINC000120432617 387245557 /nfs/dbraw/zinc/24/55/57/387245557.db2.gz KSIOJSGNOQFWST-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000572132486 387245948 /nfs/dbraw/zinc/24/59/48/387245948.db2.gz GBEHEQZUGCVILZ-GFCCVEGCSA-N 1 2 248.326 1.602 20 0 BDADLO CCC[C@@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000572132486 387245951 /nfs/dbraw/zinc/24/59/51/387245951.db2.gz GBEHEQZUGCVILZ-GFCCVEGCSA-N 1 2 248.326 1.602 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cscn1 ZINC000161602576 387251184 /nfs/dbraw/zinc/25/11/84/387251184.db2.gz UZRSPWNNQZYIAW-JGVFFNPUSA-N 1 2 248.373 1.227 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336422246 387252147 /nfs/dbraw/zinc/25/21/47/387252147.db2.gz XMEGWSDWLHAXQK-ZJUUUORDSA-N 1 2 214.284 1.041 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336422246 387252149 /nfs/dbraw/zinc/25/21/49/387252149.db2.gz XMEGWSDWLHAXQK-ZJUUUORDSA-N 1 2 214.284 1.041 20 0 BDADLO NCC(F)(F)C[NH2+][C@@H]1CCC12CCC2 ZINC000423349383 387201446 /nfs/dbraw/zinc/20/14/46/387201446.db2.gz WLANGBVRLLASDY-MRVPVSSYSA-N 1 2 204.264 1.503 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@@H]2O)nc(C2CC2)[nH+]1 ZINC000265595936 387309928 /nfs/dbraw/zinc/30/99/28/387309928.db2.gz QQVAUUWRBLJTNK-QWRGUYRKSA-N 1 2 233.315 1.988 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000336424312 387254724 /nfs/dbraw/zinc/25/47/24/387254724.db2.gz ILJLOGNMXZUJAT-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000336424312 387254728 /nfs/dbraw/zinc/25/47/28/387254728.db2.gz ILJLOGNMXZUJAT-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572164176 387256116 /nfs/dbraw/zinc/25/61/16/387256116.db2.gz STJGARSMWXXUEF-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@H]1CCOC1 ZINC000390469934 387257426 /nfs/dbraw/zinc/25/74/26/387257426.db2.gz IWANMZIGFNQWNN-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC1 ZINC000390469936 387259558 /nfs/dbraw/zinc/25/95/58/387259558.db2.gz IWANMZIGFNQWNN-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCCOC(C)C ZINC000353697783 387261033 /nfs/dbraw/zinc/26/10/33/387261033.db2.gz JCKPLENRJRNFMZ-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCCOC(C)C ZINC000353697783 387261036 /nfs/dbraw/zinc/26/10/36/387261036.db2.gz JCKPLENRJRNFMZ-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000525922901 387265690 /nfs/dbraw/zinc/26/56/90/387265690.db2.gz YVQBBILMLCDPTE-MXWKQRLJSA-N 1 2 248.330 1.390 20 0 BDADLO COC[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000120779213 387268450 /nfs/dbraw/zinc/26/84/50/387268450.db2.gz KEQNIXYXCWHKFA-SECBINFHSA-N 1 2 223.276 1.546 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1[nH]ncc1C ZINC000336448901 387277753 /nfs/dbraw/zinc/27/77/53/387277753.db2.gz QNPOWCZOQUVMST-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1[nH]ncc1C ZINC000336448901 387277759 /nfs/dbraw/zinc/27/77/59/387277759.db2.gz QNPOWCZOQUVMST-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1n[nH]cc1C ZINC000336448901 387277763 /nfs/dbraw/zinc/27/77/63/387277763.db2.gz QNPOWCZOQUVMST-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1n[nH]cc1C ZINC000336448901 387277768 /nfs/dbraw/zinc/27/77/68/387277768.db2.gz QNPOWCZOQUVMST-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO c1cnc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cn1 ZINC000572250575 387279019 /nfs/dbraw/zinc/27/90/19/387279019.db2.gz FOHJLVCKODYNAM-AWEZNQCLSA-N 1 2 247.342 1.868 20 0 BDADLO c1cnc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cn1 ZINC000572250575 387279021 /nfs/dbraw/zinc/27/90/21/387279021.db2.gz FOHJLVCKODYNAM-AWEZNQCLSA-N 1 2 247.342 1.868 20 0 BDADLO CC(C)(O)C(C)(C)C[NH2+]Cc1ccn[nH]1 ZINC000393677370 387279817 /nfs/dbraw/zinc/27/98/17/387279817.db2.gz WEGSJZQZMSGERC-UHFFFAOYSA-N 1 2 211.309 1.296 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C(C)C)C2)[nH]1 ZINC000336453434 387280122 /nfs/dbraw/zinc/28/01/22/387280122.db2.gz RGPGOUOPWGVKPW-SNVBAGLBSA-N 1 2 240.376 1.687 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C(C)C)C2)[nH]1 ZINC000336453434 387280126 /nfs/dbraw/zinc/28/01/26/387280126.db2.gz RGPGOUOPWGVKPW-SNVBAGLBSA-N 1 2 240.376 1.687 20 0 BDADLO C[N@H+](Cc1ccc[nH]1)Cc1cc(C(N)=O)cs1 ZINC000354033241 387318183 /nfs/dbraw/zinc/31/81/83/387318183.db2.gz JSXWPPKJJOTDOX-UHFFFAOYSA-N 1 2 249.339 1.807 20 0 BDADLO C[N@@H+](Cc1ccc[nH]1)Cc1cc(C(N)=O)cs1 ZINC000354033241 387318186 /nfs/dbraw/zinc/31/81/86/387318186.db2.gz JSXWPPKJJOTDOX-UHFFFAOYSA-N 1 2 249.339 1.807 20 0 BDADLO CCOC[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000360464916 387291029 /nfs/dbraw/zinc/29/10/29/387291029.db2.gz CNFBQVBWWPXATL-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC1CCC1)C1CC1 ZINC000360507275 387298552 /nfs/dbraw/zinc/29/85/52/387298552.db2.gz JJEMITGLGMSOAI-LBPRGKRZSA-N 1 2 241.331 1.344 20 0 BDADLO O=C(c1cscn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336532192 387355532 /nfs/dbraw/zinc/35/55/32/387355532.db2.gz YSDBPSXBTXLTGA-VIFPVBQESA-N 1 2 248.311 1.844 20 0 BDADLO Cn1nncc1C[NH2+][C@@H]1COc2cccc(F)c21 ZINC000373287874 387355588 /nfs/dbraw/zinc/35/55/88/387355588.db2.gz WUVUCVQSYHSRKK-SNVBAGLBSA-N 1 2 248.261 1.178 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000336553141 387374195 /nfs/dbraw/zinc/37/41/95/387374195.db2.gz GFPNFLXMLQNODO-SECBINFHSA-N 1 2 248.248 1.459 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000336553141 387374199 /nfs/dbraw/zinc/37/41/99/387374199.db2.gz GFPNFLXMLQNODO-SECBINFHSA-N 1 2 248.248 1.459 20 0 BDADLO CSCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000372690502 387320331 /nfs/dbraw/zinc/32/03/31/387320331.db2.gz HVHAXVKFXILNSP-UHFFFAOYSA-N 1 2 241.331 1.692 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)[nH]1 ZINC000354058881 387321951 /nfs/dbraw/zinc/32/19/51/387321951.db2.gz LYJLOZTYZRBYQQ-JTQLQIEISA-N 1 2 238.287 1.022 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccc(C(=O)OC)[nH]1 ZINC000354058881 387321957 /nfs/dbraw/zinc/32/19/57/387321957.db2.gz LYJLOZTYZRBYQQ-JTQLQIEISA-N 1 2 238.287 1.022 20 0 BDADLO C[C@@]1(CNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000354092154 387329940 /nfs/dbraw/zinc/32/99/40/387329940.db2.gz NGBCEMFQZHRRNV-ZDUSSCGKSA-N 1 2 233.315 1.614 20 0 BDADLO CC[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000372971861 387338211 /nfs/dbraw/zinc/33/82/11/387338211.db2.gz DQNOHBUNKFZVTG-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO Cn1nccc1C[NH2+][C@@H]1COc2cccc(F)c21 ZINC000360710670 387339967 /nfs/dbraw/zinc/33/99/67/387339967.db2.gz IMSKMBANJIWSBT-LLVKDONJSA-N 1 2 247.273 1.783 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554292 387346843 /nfs/dbraw/zinc/34/68/43/387346843.db2.gz KJXIYOLCKATUFY-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554292 387346846 /nfs/dbraw/zinc/34/68/46/387346846.db2.gz KJXIYOLCKATUFY-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO CSCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000368419673 387352420 /nfs/dbraw/zinc/35/24/20/387352420.db2.gz NJRNRGKNDUCXHE-ZETCQYMHSA-N 1 2 211.277 1.051 20 0 BDADLO CSCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000368419673 387352423 /nfs/dbraw/zinc/35/24/23/387352423.db2.gz NJRNRGKNDUCXHE-ZETCQYMHSA-N 1 2 211.277 1.051 20 0 BDADLO COC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374119877 387425509 /nfs/dbraw/zinc/42/55/09/387425509.db2.gz IQFKFVYKOCFUNH-UHFFFAOYSA-N 1 2 227.304 1.050 20 0 BDADLO CCN(CC(F)F)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423798086 387429635 /nfs/dbraw/zinc/42/96/35/387429635.db2.gz JBQFIGXUMLWLDL-ZCFIWIBFSA-N 1 2 242.216 1.097 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000352672148 387432905 /nfs/dbraw/zinc/43/29/05/387432905.db2.gz QYXHHRGVQXJUIM-QJPTWQEYSA-N 1 2 231.311 1.614 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000352672148 387432906 /nfs/dbraw/zinc/43/29/06/387432906.db2.gz QYXHHRGVQXJUIM-QJPTWQEYSA-N 1 2 231.311 1.614 20 0 BDADLO C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CCC1=O ZINC000515874762 387435163 /nfs/dbraw/zinc/43/51/63/387435163.db2.gz NOPHUUFEVSIWHK-VXGBXAGGSA-N 1 2 241.331 1.093 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CCC1=O ZINC000515874762 387435168 /nfs/dbraw/zinc/43/51/68/387435168.db2.gz NOPHUUFEVSIWHK-VXGBXAGGSA-N 1 2 241.331 1.093 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162585627 387436089 /nfs/dbraw/zinc/43/60/89/387436089.db2.gz OYJXHCVVYJBPAH-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361366075 387447956 /nfs/dbraw/zinc/44/79/56/387447956.db2.gz RQHXHSRYFRIGPG-LBPRGKRZSA-N 1 2 235.283 1.313 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361366075 387447961 /nfs/dbraw/zinc/44/79/61/387447961.db2.gz RQHXHSRYFRIGPG-LBPRGKRZSA-N 1 2 235.283 1.313 20 0 BDADLO CCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374381246 387448444 /nfs/dbraw/zinc/44/84/44/387448444.db2.gz SFNWMBFFTOVCNX-LLVKDONJSA-N 1 2 235.331 1.926 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccncc1 ZINC000354961876 387453379 /nfs/dbraw/zinc/45/33/79/387453379.db2.gz LGYOKKHVNFCLMM-UHFFFAOYSA-N 1 2 244.298 1.016 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2nnnn2C)cc1C ZINC000354992637 387462262 /nfs/dbraw/zinc/46/22/62/387462262.db2.gz MCFKHKHHKAZWKB-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2nnnn2C)cc1C ZINC000354992637 387462265 /nfs/dbraw/zinc/46/22/65/387462265.db2.gz MCFKHKHHKAZWKB-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1nccs1 ZINC000516075814 387455660 /nfs/dbraw/zinc/45/56/60/387455660.db2.gz GINPDGATHHGGGC-QMMMGPOBSA-N 1 2 236.300 1.217 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@@H]2CCOC2)o1 ZINC000361406636 387457720 /nfs/dbraw/zinc/45/77/20/387457720.db2.gz ATUXLRNGSVUTGM-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@@H]2CCOC2)o1 ZINC000361406636 387457726 /nfs/dbraw/zinc/45/77/26/387457726.db2.gz ATUXLRNGSVUTGM-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO c1ccc(N2CCOCC3(CC3)C2)[nH+]c1 ZINC000336617672 387458593 /nfs/dbraw/zinc/45/85/93/387458593.db2.gz IXMZXVDIWUWYGF-UHFFFAOYSA-N 1 2 204.273 1.698 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000361012170 387386508 /nfs/dbraw/zinc/38/65/08/387386508.db2.gz WVYWLAAYDZIBBQ-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000361012170 387386511 /nfs/dbraw/zinc/38/65/11/387386511.db2.gz WVYWLAAYDZIBBQ-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)CCc1[nH]cc[nH+]1 ZINC000354511172 387388078 /nfs/dbraw/zinc/38/80/78/387388078.db2.gz LIBRFCIPHSATJO-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO Cc1c[nH+]c(CNc2cn(C)nc2C2CC2)n1C ZINC000361064327 387397478 /nfs/dbraw/zinc/39/74/78/387397478.db2.gz CHFVRVCOSGJBMJ-UHFFFAOYSA-N 1 2 245.330 1.952 20 0 BDADLO CCCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000373835196 387399452 /nfs/dbraw/zinc/39/94/52/387399452.db2.gz JWGRRBRXBYCWDS-UHFFFAOYSA-N 1 2 224.308 1.490 20 0 BDADLO CCc1[nH]ccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352722605 387460662 /nfs/dbraw/zinc/46/06/62/387460662.db2.gz AVGOVELYEUIBSC-UHFFFAOYSA-N 1 2 232.287 1.572 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1C/C=C\c1ccncc1 ZINC000426151805 387542892 /nfs/dbraw/zinc/54/28/92/387542892.db2.gz XYSGHUDXGDRLHK-MVZIDQBPSA-N 1 2 245.326 1.257 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C/C=C\c1ccncc1 ZINC000426151805 387542898 /nfs/dbraw/zinc/54/28/98/387542898.db2.gz XYSGHUDXGDRLHK-MVZIDQBPSA-N 1 2 245.326 1.257 20 0 BDADLO O=C(CCc1ccncc1)NCCn1cc[nH+]c1 ZINC000054777064 387506923 /nfs/dbraw/zinc/50/69/23/387506923.db2.gz MVTWRWOPXFHCDI-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO COC1(C[N@@H+]2CCn3ncnc3C2)CCCC1 ZINC000361594522 387507074 /nfs/dbraw/zinc/50/70/74/387507074.db2.gz OGXRIGCPMOFMKR-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO COC1(C[N@H+]2CCn3ncnc3C2)CCCC1 ZINC000361594522 387507080 /nfs/dbraw/zinc/50/70/80/387507080.db2.gz OGXRIGCPMOFMKR-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO CNc1nc(N[C@@H]2CC[C@H]2O)[nH+]c2ccccc21 ZINC000425290758 387522408 /nfs/dbraw/zinc/52/24/08/387522408.db2.gz XYVCYHKEIAEKHO-GHMZBOCLSA-N 1 2 244.298 1.029 20 0 BDADLO c1cn([C@@H]2CCCN(c3cccc[nH+]3)C2)nn1 ZINC000425286635 387523008 /nfs/dbraw/zinc/52/30/08/387523008.db2.gz YWUPYPWAPXBJIS-LLVKDONJSA-N 1 2 229.287 1.515 20 0 BDADLO c1cn([C@H]2CCCN(c3cccc[nH+]3)C2)nn1 ZINC000425286636 387523290 /nfs/dbraw/zinc/52/32/90/387523290.db2.gz YWUPYPWAPXBJIS-NSHDSACASA-N 1 2 229.287 1.515 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375323249 387527929 /nfs/dbraw/zinc/52/79/29/387527929.db2.gz ZFZSWUFPWWUVJV-GHMZBOCLSA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375323249 387527935 /nfs/dbraw/zinc/52/79/35/387527935.db2.gz ZFZSWUFPWWUVJV-GHMZBOCLSA-N 1 2 239.344 1.682 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000192725582 387528298 /nfs/dbraw/zinc/52/82/98/387528298.db2.gz XPMLSOJSQLKOAI-MRVPVSSYSA-N 1 2 242.348 1.073 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000192725582 387528299 /nfs/dbraw/zinc/52/82/99/387528299.db2.gz XPMLSOJSQLKOAI-MRVPVSSYSA-N 1 2 242.348 1.073 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)C1CC1 ZINC000361748026 387529643 /nfs/dbraw/zinc/52/96/43/387529643.db2.gz PZUHPBNNJIXYDW-SDDRHHMPSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cs1 ZINC000375329838 387530191 /nfs/dbraw/zinc/53/01/91/387530191.db2.gz WMJCNOYQZVPTMD-LLVKDONJSA-N 1 2 249.343 1.490 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](n3cncn3)C2)cs1 ZINC000375329838 387530196 /nfs/dbraw/zinc/53/01/96/387530196.db2.gz WMJCNOYQZVPTMD-LLVKDONJSA-N 1 2 249.343 1.490 20 0 BDADLO c1cnc(C[N@@H+]2CCOCC3(CCC3)C2)nc1 ZINC000361770672 387533246 /nfs/dbraw/zinc/53/32/46/387533246.db2.gz WBCIPSZQZHQBDI-UHFFFAOYSA-N 1 2 233.315 1.479 20 0 BDADLO c1cnc(C[N@H+]2CCOCC3(CCC3)C2)nc1 ZINC000361770672 387533249 /nfs/dbraw/zinc/53/32/49/387533249.db2.gz WBCIPSZQZHQBDI-UHFFFAOYSA-N 1 2 233.315 1.479 20 0 BDADLO CC[C@@H](NC(=O)c1ccncn1)c1[nH]cc[nH+]1 ZINC000397031704 387533469 /nfs/dbraw/zinc/53/34/69/387533469.db2.gz XZFQXNIWKKNMEP-MRVPVSSYSA-N 1 2 231.259 1.081 20 0 BDADLO CO[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000397082299 387536632 /nfs/dbraw/zinc/53/66/32/387536632.db2.gz GSHQAXHIJSTQIE-SNVBAGLBSA-N 1 2 222.288 1.350 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)O ZINC000355042699 387469533 /nfs/dbraw/zinc/46/95/33/387469533.db2.gz QWUNBAVZDRFHRY-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1nnsc1C[N@H+](C)C[C@H]1CCCO1 ZINC000516186187 387470445 /nfs/dbraw/zinc/47/04/45/387470445.db2.gz XSJWPTPGSXGCRZ-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnsc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000516186187 387470451 /nfs/dbraw/zinc/47/04/51/387470451.db2.gz XSJWPTPGSXGCRZ-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355057261 387473192 /nfs/dbraw/zinc/47/31/92/387473192.db2.gz RZCZAWUICGSRJP-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355057261 387473194 /nfs/dbraw/zinc/47/31/94/387473194.db2.gz RZCZAWUICGSRJP-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO COC[C@@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OC ZINC000355077725 387475036 /nfs/dbraw/zinc/47/50/36/387475036.db2.gz NEOVIWZPQHOBEJ-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CN(c1[nH+]c2ccc(F)cc2n1C)C1CC(O)C1 ZINC000336620498 387476260 /nfs/dbraw/zinc/47/62/60/387476260.db2.gz GWNTYQCIXJYAQC-UHFFFAOYSA-N 1 2 249.289 1.672 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)OC ZINC000355078947 387478123 /nfs/dbraw/zinc/47/81/23/387478123.db2.gz CFOSIVLHLBBCHK-QCNOEVLYSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](O)C(C)C)cc(C)[nH+]1 ZINC000421905865 387478295 /nfs/dbraw/zinc/47/82/95/387478295.db2.gz ALGTUXNUBRSETE-LBPRGKRZSA-N 1 2 236.315 1.332 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1ccco1)CC2 ZINC000374713801 387485023 /nfs/dbraw/zinc/48/50/23/387485023.db2.gz LGZGHLOWPBSAML-UHFFFAOYSA-N 1 2 245.282 1.369 20 0 BDADLO CC[N@@H+](Cc1nc(COC)no1)C[C@H](C)OC ZINC000361567408 387489344 /nfs/dbraw/zinc/48/93/44/387489344.db2.gz WMNWVYCUIUCAGX-VIFPVBQESA-N 1 2 243.307 1.073 20 0 BDADLO CC[N@H+](Cc1nc(COC)no1)C[C@H](C)OC ZINC000361567408 387489350 /nfs/dbraw/zinc/48/93/50/387489350.db2.gz WMNWVYCUIUCAGX-VIFPVBQESA-N 1 2 243.307 1.073 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCOC1 ZINC000336717896 387580587 /nfs/dbraw/zinc/58/05/87/387580587.db2.gz UTTYHGLTPKCMHO-JTQLQIEISA-N 1 2 235.287 1.609 20 0 BDADLO c1coc([C@@H]2COCC[N@H+]2C[C@H]2CCCO2)c1 ZINC000375798720 387583441 /nfs/dbraw/zinc/58/34/41/387583441.db2.gz XDOQFXWZEZUOQW-NEPJUHHUSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@@H]2COCC[N@@H+]2C[C@H]2CCCO2)c1 ZINC000375798720 387583443 /nfs/dbraw/zinc/58/34/43/387583443.db2.gz XDOQFXWZEZUOQW-NEPJUHHUSA-N 1 2 237.299 1.832 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1ccnn1C ZINC000123639780 387588119 /nfs/dbraw/zinc/58/81/19/387588119.db2.gz MXOMTLSMBSBVBX-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO COC1(C)C[NH+](Cc2nc(C)ccc2O)C1 ZINC000362310026 387595166 /nfs/dbraw/zinc/59/51/66/387595166.db2.gz VZDUEBQWTQGKQW-UHFFFAOYSA-N 1 2 222.288 1.316 20 0 BDADLO C[N@H+](Cc1nnnn1C(C)(C)C)C1CCC1 ZINC000362325524 387596197 /nfs/dbraw/zinc/59/61/97/387596197.db2.gz SMVZYPMIGVNICJ-UHFFFAOYSA-N 1 2 223.324 1.412 20 0 BDADLO C[N@@H+](Cc1nnnn1C(C)(C)C)C1CCC1 ZINC000362325524 387596200 /nfs/dbraw/zinc/59/62/00/387596200.db2.gz SMVZYPMIGVNICJ-UHFFFAOYSA-N 1 2 223.324 1.412 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000362386495 387605015 /nfs/dbraw/zinc/60/50/15/387605015.db2.gz SRZHZPSRIFADIZ-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000362386495 387605020 /nfs/dbraw/zinc/60/50/20/387605020.db2.gz SRZHZPSRIFADIZ-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000362386496 387606897 /nfs/dbraw/zinc/60/68/97/387606897.db2.gz SRZHZPSRIFADIZ-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000362386496 387606903 /nfs/dbraw/zinc/60/69/03/387606903.db2.gz SRZHZPSRIFADIZ-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]ccn2C)ccn1 ZINC000527540245 387610138 /nfs/dbraw/zinc/61/01/38/387610138.db2.gz WCGCPRDZAOSSSP-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000355654474 387563410 /nfs/dbraw/zinc/56/34/10/387563410.db2.gz RNSDHBQBMSNNHV-LLVKDONJSA-N 1 2 236.315 1.474 20 0 BDADLO CCCCOCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362090822 387571911 /nfs/dbraw/zinc/57/19/11/387571911.db2.gz PATFVBGJDKTEFA-RYUDHWBXSA-N 1 2 247.404 1.644 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000332762160 387572547 /nfs/dbraw/zinc/57/25/47/387572547.db2.gz QGPHIPXLGPUXNB-GMTAPVOTSA-N 1 2 248.330 1.327 20 0 BDADLO Cc1nc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)no1 ZINC000305191222 387576167 /nfs/dbraw/zinc/57/61/67/387576167.db2.gz CZKFLFHEBPILGR-SCZZXKLOSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+]2[C@H](C)CCC[C@H]2CO)no1 ZINC000305191222 387576169 /nfs/dbraw/zinc/57/61/69/387576169.db2.gz CZKFLFHEBPILGR-SCZZXKLOSA-N 1 2 225.292 1.113 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@]12C[C@@H]1CCC2 ZINC000527536526 387631107 /nfs/dbraw/zinc/63/11/07/387631107.db2.gz PYPVYQBXFVTLDG-AAEUAGOBSA-N 1 2 233.315 1.722 20 0 BDADLO CCC[C@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OCC ZINC000124854886 387634681 /nfs/dbraw/zinc/63/46/81/387634681.db2.gz IEQBFLDBSDHFDS-AAEUAGOBSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2=O)o1 ZINC000356278393 387637209 /nfs/dbraw/zinc/63/72/09/387637209.db2.gz WGDREHRZJPLKIS-MWLCHTKSSA-N 1 2 249.314 1.397 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2=O)o1 ZINC000356278390 387637313 /nfs/dbraw/zinc/63/73/13/387637313.db2.gz WGDREHRZJPLKIS-KOLCDFICSA-N 1 2 249.314 1.397 20 0 BDADLO Fc1ccc2[nH+]c(NCc3cncnc3)[nH]c2c1 ZINC000362644872 387643287 /nfs/dbraw/zinc/64/32/87/387643287.db2.gz VYLDEKOOQRPUMI-UHFFFAOYSA-N 1 2 243.245 1.526 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000356356309 387648105 /nfs/dbraw/zinc/64/81/05/387648105.db2.gz YEJWLRGNDPQKKA-CYBMUJFWSA-N 1 2 248.326 1.205 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000356356309 387648108 /nfs/dbraw/zinc/64/81/08/387648108.db2.gz YEJWLRGNDPQKKA-CYBMUJFWSA-N 1 2 248.326 1.205 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3cccnc3)[C@@H]12 ZINC000376549464 387650034 /nfs/dbraw/zinc/65/00/34/387650034.db2.gz YIAQCXZQUNBSID-VXGBXAGGSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3cccnc3)[C@@H]12 ZINC000376549464 387650037 /nfs/dbraw/zinc/65/00/37/387650037.db2.gz YIAQCXZQUNBSID-VXGBXAGGSA-N 1 2 232.283 1.219 20 0 BDADLO CC[C@@H](NC(=O)c1ccoc1)c1[nH]cc[nH+]1 ZINC000125343690 387654879 /nfs/dbraw/zinc/65/48/79/387654879.db2.gz XTLUSWXDLCFCOW-SECBINFHSA-N 1 2 219.244 1.884 20 0 BDADLO Fc1c[nH+]ccc1NCc1ccn(C(F)F)n1 ZINC000362799820 387660202 /nfs/dbraw/zinc/66/02/02/387660202.db2.gz YDZUNZJLYYEDPF-UHFFFAOYSA-N 1 2 242.204 1.846 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC1CC1 ZINC000356476551 387664074 /nfs/dbraw/zinc/66/40/74/387664074.db2.gz UBFBTLODFOQKFH-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC1CC1 ZINC000356476551 387664079 /nfs/dbraw/zinc/66/40/79/387664079.db2.gz UBFBTLODFOQKFH-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1ncnn1CC(F)F ZINC000362935564 387674768 /nfs/dbraw/zinc/67/47/68/387674768.db2.gz QBTWZTPGKDVORR-QMMMGPOBSA-N 1 2 248.277 1.010 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000362935564 387674774 /nfs/dbraw/zinc/67/47/74/387674774.db2.gz QBTWZTPGKDVORR-QMMMGPOBSA-N 1 2 248.277 1.010 20 0 BDADLO CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422778157 387675212 /nfs/dbraw/zinc/67/52/12/387675212.db2.gz AGUDNOYIECXZDK-PWSUYJOCSA-N 1 2 249.314 1.494 20 0 BDADLO Cc1ccc(NCc2cn(C)nn2)c[nH+]1 ZINC000149815138 387676149 /nfs/dbraw/zinc/67/61/49/387676149.db2.gz BTRBBNZLZGDWFH-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CC[C@@H](F)C[N@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000440711204 387677718 /nfs/dbraw/zinc/67/77/18/387677718.db2.gz IBRDDZBYQRVZAO-NXEZZACHSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000440711204 387677726 /nfs/dbraw/zinc/67/77/26/387677726.db2.gz IBRDDZBYQRVZAO-NXEZZACHSA-N 1 2 239.356 1.490 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000356596723 387679760 /nfs/dbraw/zinc/67/97/60/387679760.db2.gz QUIRCINKICCHOX-NXEZZACHSA-N 1 2 221.304 1.660 20 0 BDADLO CC[C@H](F)C[N@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000440714380 387680647 /nfs/dbraw/zinc/68/06/47/387680647.db2.gz PAXSTWAGFSSTOF-ZJUUUORDSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@H](F)C[N@@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000440714380 387680652 /nfs/dbraw/zinc/68/06/52/387680652.db2.gz PAXSTWAGFSSTOF-ZJUUUORDSA-N 1 2 239.356 1.490 20 0 BDADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628412170 387681211 /nfs/dbraw/zinc/68/12/11/387681211.db2.gz VVMXUBLYAYJDGE-OCAPTIKFSA-N 1 2 245.248 1.891 20 0 BDADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628412170 387681217 /nfs/dbraw/zinc/68/12/17/387681217.db2.gz VVMXUBLYAYJDGE-OCAPTIKFSA-N 1 2 245.248 1.891 20 0 BDADLO CSCC[N@H+](C)Cc1ncnn1CCF ZINC000440778881 387696332 /nfs/dbraw/zinc/69/63/32/387696332.db2.gz LPLSGHXQSJVVAD-UHFFFAOYSA-N 1 2 232.328 1.042 20 0 BDADLO CSCC[N@@H+](C)Cc1ncnn1CCF ZINC000440778881 387696339 /nfs/dbraw/zinc/69/63/39/387696339.db2.gz LPLSGHXQSJVVAD-UHFFFAOYSA-N 1 2 232.328 1.042 20 0 BDADLO CC[C@H](F)C[N@H+](CCO)Cc1cccnc1 ZINC000440759262 387685152 /nfs/dbraw/zinc/68/51/52/387685152.db2.gz BADFIJZVFGAJCE-LBPRGKRZSA-N 1 2 226.295 1.624 20 0 BDADLO CC[C@H](F)C[N@@H+](CCO)Cc1cccnc1 ZINC000440759262 387685156 /nfs/dbraw/zinc/68/51/56/387685156.db2.gz BADFIJZVFGAJCE-LBPRGKRZSA-N 1 2 226.295 1.624 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](COC)C1 ZINC000440766588 387685445 /nfs/dbraw/zinc/68/54/45/387685445.db2.gz RQQFSWHWJXWZDE-ZJUUUORDSA-N 1 2 205.273 1.082 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@H](COC)C1 ZINC000440766588 387685449 /nfs/dbraw/zinc/68/54/49/387685449.db2.gz RQQFSWHWJXWZDE-ZJUUUORDSA-N 1 2 205.273 1.082 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000126536615 387687026 /nfs/dbraw/zinc/68/70/26/387687026.db2.gz MCPBCDLOAVUSIW-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000126536615 387687033 /nfs/dbraw/zinc/68/70/33/387687033.db2.gz MCPBCDLOAVUSIW-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO O=C(c1nccs1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000377056636 387689121 /nfs/dbraw/zinc/68/91/21/387689121.db2.gz LUULOLJBDNDSFA-QMMMGPOBSA-N 1 2 248.311 1.844 20 0 BDADLO CC[C@H](F)C[N@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000440773104 387694171 /nfs/dbraw/zinc/69/41/71/387694171.db2.gz WYIUHKSXSJSWSV-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@H](F)C[N@@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000440773104 387694177 /nfs/dbraw/zinc/69/41/77/387694177.db2.gz WYIUHKSXSJSWSV-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)nc1 ZINC000441362877 387749838 /nfs/dbraw/zinc/74/98/38/387749838.db2.gz IEJSEEKNAREHEX-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)nc1 ZINC000441362877 387749848 /nfs/dbraw/zinc/74/98/48/387749848.db2.gz IEJSEEKNAREHEX-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO CCCCOCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000441387785 387753861 /nfs/dbraw/zinc/75/38/61/387753861.db2.gz WCTQSAVEOGMNNK-CYBMUJFWSA-N 1 2 243.347 1.294 20 0 BDADLO CCCCOCC[N@H+]1CCOC[C@]12CCOC2 ZINC000441387785 387753863 /nfs/dbraw/zinc/75/38/63/387753863.db2.gz WCTQSAVEOGMNNK-CYBMUJFWSA-N 1 2 243.347 1.294 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](F)CC ZINC000440790662 387699462 /nfs/dbraw/zinc/69/94/62/387699462.db2.gz LSNTUVHBVXHRIQ-IUCAKERBSA-N 1 2 205.273 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](F)CC ZINC000440790662 387699467 /nfs/dbraw/zinc/69/94/67/387699467.db2.gz LSNTUVHBVXHRIQ-IUCAKERBSA-N 1 2 205.273 1.618 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)OC ZINC000452020542 387701349 /nfs/dbraw/zinc/70/13/49/387701349.db2.gz NGSDECRCMGOHGS-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000440796999 387703581 /nfs/dbraw/zinc/70/35/81/387703581.db2.gz MLFKWYDKWUNTLN-NXEZZACHSA-N 1 2 226.299 1.700 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000440796999 387703583 /nfs/dbraw/zinc/70/35/83/387703583.db2.gz MLFKWYDKWUNTLN-NXEZZACHSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000356723157 387708305 /nfs/dbraw/zinc/70/83/05/387708305.db2.gz DYQPOKXMZPWRRP-RKDXNWHRSA-N 1 2 239.294 1.694 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000356723157 387708310 /nfs/dbraw/zinc/70/83/10/387708310.db2.gz DYQPOKXMZPWRRP-RKDXNWHRSA-N 1 2 239.294 1.694 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2C[C@H]2CCCO2)no1 ZINC000377492543 387718969 /nfs/dbraw/zinc/71/89/69/387718969.db2.gz FDTQGWVORRCJNH-NXEZZACHSA-N 1 2 223.276 1.386 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2C[C@H]2CCCO2)no1 ZINC000377492543 387718978 /nfs/dbraw/zinc/71/89/78/387718978.db2.gz FDTQGWVORRCJNH-NXEZZACHSA-N 1 2 223.276 1.386 20 0 BDADLO C[C@H](F)CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377597059 387731341 /nfs/dbraw/zinc/73/13/41/387731341.db2.gz YHPXVWWMVONYPS-QMMMGPOBSA-N 1 2 242.298 1.438 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]Cc2ccn(C)c2)no1 ZINC000441216218 387737026 /nfs/dbraw/zinc/73/70/26/387737026.db2.gz HVJJHQXEMCGNNP-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]1C1CC1 ZINC000378105064 387765078 /nfs/dbraw/zinc/76/50/78/387765078.db2.gz WQMYFICOEOBXCA-GFCCVEGCSA-N 1 2 248.330 1.504 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000527876226 387767612 /nfs/dbraw/zinc/76/76/12/387767612.db2.gz ISBHUYKKBAODCQ-SNVBAGLBSA-N 1 2 249.314 1.511 20 0 BDADLO COc1ccc[nH+]c1N(C)Cc1cc[nH]n1 ZINC000527891327 387774386 /nfs/dbraw/zinc/77/43/86/387774386.db2.gz GQNTZAOVRILDFU-UHFFFAOYSA-N 1 2 218.260 1.450 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378304104 387775099 /nfs/dbraw/zinc/77/50/99/387775099.db2.gz CJKPWVGMEGXAKU-GPCCPHFNSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378304104 387775104 /nfs/dbraw/zinc/77/51/04/387775104.db2.gz CJKPWVGMEGXAKU-GPCCPHFNSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000527945374 387780826 /nfs/dbraw/zinc/78/08/26/387780826.db2.gz BSTLVCNADNYUAO-SNVBAGLBSA-N 1 2 247.346 1.631 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000378370321 387780831 /nfs/dbraw/zinc/78/08/31/387780831.db2.gz KXNZJICCHQOEMA-VHSXEESVSA-N 1 2 237.303 1.119 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@@H]1CCC[C@@H]1O ZINC000527938931 387781792 /nfs/dbraw/zinc/78/17/92/387781792.db2.gz KKSHSDULTPMCDW-QWRGUYRKSA-N 1 2 236.315 1.687 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C=C[C@H](CO)C1 ZINC000527916215 387787653 /nfs/dbraw/zinc/78/76/53/387787653.db2.gz XVWNCRHSBVZBTP-VHSXEESVSA-N 1 2 220.272 1.439 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](OC)C1 ZINC000527917644 387787993 /nfs/dbraw/zinc/78/79/93/387787993.db2.gz XXTRLBLECINBKD-VIFPVBQESA-N 1 2 208.261 1.315 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cncs2)n1 ZINC000527922368 387789784 /nfs/dbraw/zinc/78/97/84/387789784.db2.gz VGFPQNVDWHCFQR-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cncs2)n1 ZINC000527922369 387790149 /nfs/dbraw/zinc/79/01/49/387790149.db2.gz VGFPQNVDWHCFQR-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000527920135 387790451 /nfs/dbraw/zinc/79/04/51/387790451.db2.gz NGAFMVFBMGTPBH-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H]([C@@H](C)O)C1 ZINC000527932495 387796574 /nfs/dbraw/zinc/79/65/74/387796574.db2.gz DCPYLRXITLEGAH-GHMZBOCLSA-N 1 2 236.315 1.687 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335703 387806756 /nfs/dbraw/zinc/80/67/56/387806756.db2.gz RIYNKTXQQYBIIK-ZJUUUORDSA-N 1 2 249.314 1.583 20 0 BDADLO COC[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452337066 387806984 /nfs/dbraw/zinc/80/69/84/387806984.db2.gz YHWLPXSVEMSANV-SECBINFHSA-N 1 2 237.303 1.440 20 0 BDADLO COc1ccc[nH+]c1N(C)CC1(O)CCC1 ZINC000527965245 387811702 /nfs/dbraw/zinc/81/17/02/387811702.db2.gz ZSYZHPZVKOHTEN-UHFFFAOYSA-N 1 2 222.288 1.441 20 0 BDADLO COc1ccc[nH+]c1NCCc1nccnc1C ZINC000528028708 387832558 /nfs/dbraw/zinc/83/25/58/387832558.db2.gz ZOJDFUAWKHRRFC-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1ccc[nH+]c1NCc1nnc(C2CC2)[nH]1 ZINC000528028899 387832615 /nfs/dbraw/zinc/83/26/15/387832615.db2.gz IRVWLZDYEWZWJR-UHFFFAOYSA-N 1 2 245.286 1.698 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](OC)[C@H](C)C1 ZINC000528030722 387833495 /nfs/dbraw/zinc/83/34/95/387833495.db2.gz LJBNTHREZUCGFB-MNOVXSKESA-N 1 2 236.315 1.951 20 0 BDADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)CC(=O)N1 ZINC000528030452 387833974 /nfs/dbraw/zinc/83/39/74/387833974.db2.gz XKSDBTFJDWNVIA-SNVBAGLBSA-N 1 2 241.294 1.560 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H](CC)COC)C(=O)OCC ZINC000432891448 387837128 /nfs/dbraw/zinc/83/71/28/387837128.db2.gz TUWDVHRXONIDSY-XPMWWOIKSA-N 1 2 243.347 1.899 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432937409 387843596 /nfs/dbraw/zinc/84/35/96/387843596.db2.gz KZNRGSFYVZXVEY-UHFFFAOYSA-N 1 2 208.309 1.696 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000432937409 387843599 /nfs/dbraw/zinc/84/35/99/387843599.db2.gz KZNRGSFYVZXVEY-UHFFFAOYSA-N 1 2 208.309 1.696 20 0 BDADLO O[C@@H](CNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000528134316 387850741 /nfs/dbraw/zinc/85/07/41/387850741.db2.gz ZJZLMTCEMNJYKM-VHSXEESVSA-N 1 2 208.261 1.033 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000582577067 387851988 /nfs/dbraw/zinc/85/19/88/387851988.db2.gz JHWSIXPLGRFHLQ-NXEZZACHSA-N 1 2 221.304 1.125 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC000452568421 387860124 /nfs/dbraw/zinc/86/01/24/387860124.db2.gz ARBFJFUOOPRNOF-MNOVXSKESA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@@H]1C ZINC000452571748 387861518 /nfs/dbraw/zinc/86/15/18/387861518.db2.gz PKSZRUSMZSQZQQ-UWVGGRQHSA-N 1 2 221.304 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@]1(C)CC ZINC000452571498 387862513 /nfs/dbraw/zinc/86/25/13/387862513.db2.gz PDEQIOYRIIBUOY-MFKMUULPSA-N 1 2 235.331 1.955 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)ccn1 ZINC000235835457 387864888 /nfs/dbraw/zinc/86/48/88/387864888.db2.gz DJKOOSBFFMXKGR-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ccc(NC(=O)c2cccc(=O)[nH]2)c(C)[nH+]1 ZINC000235864621 387865327 /nfs/dbraw/zinc/86/53/27/387865327.db2.gz WZIHMRIMCLHDJT-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)no1 ZINC000193859550 387866144 /nfs/dbraw/zinc/86/61/44/387866144.db2.gz GDXWZNDDZYOXHF-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)no1 ZINC000193859550 387866145 /nfs/dbraw/zinc/86/61/45/387866145.db2.gz GDXWZNDDZYOXHF-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@@](C)(O)C1 ZINC000528035746 387818841 /nfs/dbraw/zinc/81/88/41/387818841.db2.gz KAWYGWMTNFQYLW-DKTWLAJQSA-N 1 2 208.261 1.416 20 0 BDADLO CCOC(=O)[C@H](CC)SCCn1cc[nH+]c1 ZINC000194547553 387893948 /nfs/dbraw/zinc/89/39/48/387893948.db2.gz RPPKEYVUGIYRDN-JTQLQIEISA-N 1 2 242.344 1.958 20 0 BDADLO C/C(Cl)=C/C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000528335042 387895395 /nfs/dbraw/zinc/89/53/95/387895395.db2.gz BLTNDUTVZZQREI-WMZJFQQLSA-N 1 2 242.750 1.683 20 0 BDADLO C/C(Cl)=C/C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000528338143 387895442 /nfs/dbraw/zinc/89/54/42/387895442.db2.gz MEBJWZYPZNEPKI-WCIBSUBMSA-N 1 2 244.766 1.929 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1NCC1COC1 ZINC000528227181 387882766 /nfs/dbraw/zinc/88/27/66/387882766.db2.gz KGNKOLUZTLAANP-UHFFFAOYSA-N 1 2 249.314 1.151 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000528404114 387886817 /nfs/dbraw/zinc/88/68/17/387886817.db2.gz MDPDEZWSPDTDNF-ZCFALZCBSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000528404114 387886820 /nfs/dbraw/zinc/88/68/20/387886820.db2.gz MDPDEZWSPDTDNF-ZCFALZCBSA-N 1 2 219.712 1.211 20 0 BDADLO CC[C@](C)(CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000452729908 387901562 /nfs/dbraw/zinc/90/15/62/387901562.db2.gz OYIOMXXYIBJFJU-LLVKDONJSA-N 1 2 225.292 1.263 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000444684448 387907883 /nfs/dbraw/zinc/90/78/83/387907883.db2.gz JXKNTHOQWLMZDI-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO CCOCC[C@@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000444684448 387907885 /nfs/dbraw/zinc/90/78/85/387907885.db2.gz JXKNTHOQWLMZDI-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(N)=O)c1 ZINC000444733789 387917469 /nfs/dbraw/zinc/91/74/69/387917469.db2.gz KFBMNELWEXFZQP-VIFPVBQESA-N 1 2 224.279 1.440 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(N)=O)c1 ZINC000444733789 387917472 /nfs/dbraw/zinc/91/74/72/387917472.db2.gz KFBMNELWEXFZQP-VIFPVBQESA-N 1 2 224.279 1.440 20 0 BDADLO CO[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1OC ZINC000487078709 387921192 /nfs/dbraw/zinc/92/11/92/387921192.db2.gz ACTSQKZEKFXGJC-RYUDHWBXSA-N 1 2 247.298 1.413 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000444768011 387923901 /nfs/dbraw/zinc/92/39/01/387923901.db2.gz BMTFRAHGUCTYKX-SECBINFHSA-N 1 2 224.308 1.378 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000444768011 387923905 /nfs/dbraw/zinc/92/39/05/387923905.db2.gz BMTFRAHGUCTYKX-SECBINFHSA-N 1 2 224.308 1.378 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000438468433 387937720 /nfs/dbraw/zinc/93/77/20/387937720.db2.gz XFDYRQRGHKUCIC-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000245465568 387947264 /nfs/dbraw/zinc/94/72/64/387947264.db2.gz ISBOZUXVXVTFTL-NEPJUHHUSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000245465568 387947266 /nfs/dbraw/zinc/94/72/66/387947266.db2.gz ISBOZUXVXVTFTL-NEPJUHHUSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@H](Cn1cncn1)Nc1ccc(C)[nH+]c1 ZINC000438841333 387959140 /nfs/dbraw/zinc/95/91/40/387959140.db2.gz KYLDPBSZRVWZIS-LLVKDONJSA-N 1 2 231.303 1.872 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000424304353 387962751 /nfs/dbraw/zinc/96/27/51/387962751.db2.gz BALXJHWRSVWTKD-MRVPVSSYSA-N 1 2 233.275 1.059 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC[C@H]1CCOC1 ZINC000645880597 387957844 /nfs/dbraw/zinc/95/78/44/387957844.db2.gz SEDVJBMQWKGYOU-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC[C@H]1CCOC1 ZINC000645880597 387957848 /nfs/dbraw/zinc/95/78/48/387957848.db2.gz SEDVJBMQWKGYOU-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446071867 387995837 /nfs/dbraw/zinc/99/58/37/387995837.db2.gz KQEQLKHYEYZLSG-DCAQKATOSA-N 1 2 228.336 1.009 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446071867 387995840 /nfs/dbraw/zinc/99/58/40/387995840.db2.gz KQEQLKHYEYZLSG-DCAQKATOSA-N 1 2 228.336 1.009 20 0 BDADLO Cc1nnc(C[N@H+](CCO)C2CCC2)s1 ZINC000439272302 387989777 /nfs/dbraw/zinc/98/97/77/387989777.db2.gz LAEIVDMGUOYYLC-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@@H+](CCO)C2CCC2)s1 ZINC000439272302 387989780 /nfs/dbraw/zinc/98/97/80/387989780.db2.gz LAEIVDMGUOYYLC-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1ncco1 ZINC000446063838 387990270 /nfs/dbraw/zinc/99/02/70/387990270.db2.gz SVYCHVOQCXPLQT-VIFPVBQESA-N 1 2 228.317 1.487 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1ncco1 ZINC000446063838 387990273 /nfs/dbraw/zinc/99/02/73/387990273.db2.gz SVYCHVOQCXPLQT-VIFPVBQESA-N 1 2 228.317 1.487 20 0 BDADLO CC(=O)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000446039529 387986332 /nfs/dbraw/zinc/98/63/32/387986332.db2.gz NUDPBPWVQNTZMD-UHFFFAOYSA-N 1 2 247.254 1.178 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)no1 ZINC000446083386 387996858 /nfs/dbraw/zinc/99/68/58/387996858.db2.gz RGEFGUSVGVGDCJ-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)no1 ZINC000446083386 387996863 /nfs/dbraw/zinc/99/68/63/387996863.db2.gz RGEFGUSVGVGDCJ-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446083947 387997957 /nfs/dbraw/zinc/99/79/57/387997957.db2.gz SJBLZPYAGYGXFN-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446083947 387997962 /nfs/dbraw/zinc/99/79/62/387997962.db2.gz SJBLZPYAGYGXFN-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncnn2CC)CCCO1 ZINC000439484886 388001825 /nfs/dbraw/zinc/00/18/25/388001825.db2.gz GBKUBAVRLUGSHV-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncnn2CC)CCCO1 ZINC000439484886 388001827 /nfs/dbraw/zinc/00/18/27/388001827.db2.gz GBKUBAVRLUGSHV-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000156650344 388015554 /nfs/dbraw/zinc/01/55/54/388015554.db2.gz LKFPJTSVYPGLPW-IUCAKERBSA-N 1 2 221.304 1.783 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccc(O)c2)nn1 ZINC000533255699 388035788 /nfs/dbraw/zinc/03/57/88/388035788.db2.gz VQOPXABMLOUKID-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccc(O)c2)nn1 ZINC000533255699 388035793 /nfs/dbraw/zinc/03/57/93/388035793.db2.gz VQOPXABMLOUKID-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nsc(N(C)C)n1 ZINC000156863612 388042965 /nfs/dbraw/zinc/04/29/65/388042965.db2.gz MATVZZKMJOSGNP-RKDXNWHRSA-N 1 2 240.376 1.977 20 0 BDADLO Cc1ccc(NC(=O)c2csnn2)c(C)[nH+]1 ZINC000446584316 388028476 /nfs/dbraw/zinc/02/84/76/388028476.db2.gz GIVWNBVHJHGLJV-UHFFFAOYSA-N 1 2 234.284 1.802 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423284783 388067535 /nfs/dbraw/zinc/06/75/35/388067535.db2.gz YKFDXECHHUAANG-NQMVMOMDSA-N 1 2 239.344 1.448 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000440700591 388068992 /nfs/dbraw/zinc/06/89/92/388068992.db2.gz GYNQPQJMCFAFBJ-NSHDSACASA-N 1 2 230.327 1.535 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000440702315 388070684 /nfs/dbraw/zinc/07/06/84/388070684.db2.gz DKLUFNWDGPEWHI-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000440702315 388070689 /nfs/dbraw/zinc/07/06/89/388070689.db2.gz DKLUFNWDGPEWHI-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CCCO1 ZINC000084221902 388075335 /nfs/dbraw/zinc/07/53/35/388075335.db2.gz UCYBTXFRUUDJBF-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000084221902 388075338 /nfs/dbraw/zinc/07/53/38/388075338.db2.gz UCYBTXFRUUDJBF-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@](O)(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000336658192 388076203 /nfs/dbraw/zinc/07/62/03/388076203.db2.gz MMGACAGJFKRVCY-YIZRAAEISA-N 1 2 239.237 1.163 20 0 BDADLO C[C@](O)(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000336658192 388076207 /nfs/dbraw/zinc/07/62/07/388076207.db2.gz MMGACAGJFKRVCY-YIZRAAEISA-N 1 2 239.237 1.163 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000453417805 388077893 /nfs/dbraw/zinc/07/78/93/388077893.db2.gz VIVOQQHFNWASCK-LLVKDONJSA-N 1 2 239.319 1.769 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000453417805 388077896 /nfs/dbraw/zinc/07/78/96/388077896.db2.gz VIVOQQHFNWASCK-LLVKDONJSA-N 1 2 239.319 1.769 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc(O)cc1F ZINC000085203874 388085434 /nfs/dbraw/zinc/08/54/34/388085434.db2.gz GLLORCZJZWZIDK-UHFFFAOYSA-N 1 2 249.245 1.757 20 0 BDADLO C[C@@H]([NH2+]C1(C(F)F)CC1)[C@@H]1CCCO1 ZINC000336660310 388091168 /nfs/dbraw/zinc/09/11/68/388091168.db2.gz RRHYIKICJYYQFX-SFYZADRCSA-N 1 2 205.248 1.941 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C)C(=O)OC ZINC000447799222 388094262 /nfs/dbraw/zinc/09/42/62/388094262.db2.gz GNMZMJRDXGITJF-LMLFDSFASA-N 1 2 243.347 1.587 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC(C)C ZINC000454131842 388100230 /nfs/dbraw/zinc/10/02/30/388100230.db2.gz DUUPIVXDBRVORK-SNVBAGLBSA-N 1 2 238.335 1.919 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000440504823 388046632 /nfs/dbraw/zinc/04/66/32/388046632.db2.gz MWOZJTXTMJQFDZ-QSDJMHMYSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000440504823 388046634 /nfs/dbraw/zinc/04/66/34/388046634.db2.gz MWOZJTXTMJQFDZ-QSDJMHMYSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000440504825 388047133 /nfs/dbraw/zinc/04/71/33/388047133.db2.gz MWOZJTXTMJQFDZ-YCWTYVPXSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000440504825 388047135 /nfs/dbraw/zinc/04/71/35/388047135.db2.gz MWOZJTXTMJQFDZ-YCWTYVPXSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000440512767 388048841 /nfs/dbraw/zinc/04/88/41/388048841.db2.gz IONLZUMBLHVHFM-HBNTYKKESA-N 1 2 247.310 1.387 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000440512767 388048844 /nfs/dbraw/zinc/04/88/44/388048844.db2.gz IONLZUMBLHVHFM-HBNTYKKESA-N 1 2 247.310 1.387 20 0 BDADLO C[C@H](Cc1ccoc1)[NH2+]CC(F)(F)CO ZINC000449254359 388163727 /nfs/dbraw/zinc/16/37/27/388163727.db2.gz XXNSGKDLQRMWPO-MRVPVSSYSA-N 1 2 219.231 1.428 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(F)c[nH]1 ZINC000646244321 388170361 /nfs/dbraw/zinc/17/03/61/388170361.db2.gz OXVACSWHIABGNA-VIFPVBQESA-N 1 2 248.261 1.095 20 0 BDADLO O=C(c1cncs1)N1CCc2[nH]c[nH+]c2C1 ZINC000646260450 388171359 /nfs/dbraw/zinc/17/13/59/388171359.db2.gz IWTDAFMIRRMISD-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO O=C(c1cncs1)N1CCc2[nH+]c[nH]c2C1 ZINC000646260450 388171361 /nfs/dbraw/zinc/17/13/61/388171361.db2.gz IWTDAFMIRRMISD-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO CCc1occc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259496 388172043 /nfs/dbraw/zinc/17/20/43/388172043.db2.gz HSVJQHAJEFISFC-UHFFFAOYSA-N 1 2 245.282 1.764 20 0 BDADLO CCc1occc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259496 388172044 /nfs/dbraw/zinc/17/20/44/388172044.db2.gz HSVJQHAJEFISFC-UHFFFAOYSA-N 1 2 245.282 1.764 20 0 BDADLO O=C(Cc1ccoc1)N1CCc2[nH]c[nH+]c2C1 ZINC000646258343 388172093 /nfs/dbraw/zinc/17/20/93/388172093.db2.gz RHYCCDUHOIVIQW-UHFFFAOYSA-N 1 2 231.255 1.130 20 0 BDADLO O=C(Cc1ccoc1)N1CCc2[nH+]c[nH]c2C1 ZINC000646258343 388172094 /nfs/dbraw/zinc/17/20/94/388172094.db2.gz RHYCCDUHOIVIQW-UHFFFAOYSA-N 1 2 231.255 1.130 20 0 BDADLO CC(C)n1cc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000449352443 388180149 /nfs/dbraw/zinc/18/01/49/388180149.db2.gz VMASXUJNEIROJP-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO CC(C)n1cc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000449352443 388180152 /nfs/dbraw/zinc/18/01/52/388180152.db2.gz VMASXUJNEIROJP-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnc(C)nc1)C(F)F ZINC000449357271 388180671 /nfs/dbraw/zinc/18/06/71/388180671.db2.gz CDFNBHJDKOHYEQ-SECBINFHSA-N 1 2 215.247 1.918 20 0 BDADLO CC(C)n1nccc1C[NH2+]C(CF)CF ZINC000449381031 388188587 /nfs/dbraw/zinc/18/85/87/388188587.db2.gz QFIUZZPQWJJPFO-UHFFFAOYSA-N 1 2 217.263 1.861 20 0 BDADLO CC[C@@H]([NH2+]Cc1c(C)nnn1CC)C(F)F ZINC000449362930 388182354 /nfs/dbraw/zinc/18/23/54/388182354.db2.gz OGOHDKVWVPQJHB-MRVPVSSYSA-N 1 2 232.278 1.740 20 0 BDADLO CNC(=O)c1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449373908 388185086 /nfs/dbraw/zinc/18/50/86/388185086.db2.gz VPOMAIODQKUZGB-UHFFFAOYSA-N 1 2 242.269 1.443 20 0 BDADLO CO[C@@H]1C[NH+](Cc2ccc(Cl)o2)C[C@H]1OC ZINC000488537690 388185261 /nfs/dbraw/zinc/18/52/61/388185261.db2.gz BGDLDUVZEUEQSU-NXEZZACHSA-N 1 2 245.706 1.779 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000448954509 388122698 /nfs/dbraw/zinc/12/26/98/388122698.db2.gz VSBCMQWQFAPZAR-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1nnc(C)c1C[N@H+](C)Cc1ccco1 ZINC000449010196 388128518 /nfs/dbraw/zinc/12/85/18/388128518.db2.gz YSJAGXPXHQMLGW-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1nnc(C)c1C[N@@H+](C)Cc1ccco1 ZINC000449010196 388128520 /nfs/dbraw/zinc/12/85/20/388128520.db2.gz YSJAGXPXHQMLGW-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)nn1C ZINC000646116106 388145157 /nfs/dbraw/zinc/14/51/57/388145157.db2.gz RYOOYMNRQVIHGO-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)nn1C ZINC000646116106 388145159 /nfs/dbraw/zinc/14/51/59/388145159.db2.gz RYOOYMNRQVIHGO-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000646116399 388145854 /nfs/dbraw/zinc/14/58/54/388145854.db2.gz LBAOFRDCDBJPGK-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)n1 ZINC000646116399 388145855 /nfs/dbraw/zinc/14/58/55/388145855.db2.gz LBAOFRDCDBJPGK-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)CC2(CCCC2)O1 ZINC000646132958 388151359 /nfs/dbraw/zinc/15/13/59/388151359.db2.gz KECOFEKABWNROL-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)CC2(CCCC2)O1 ZINC000646132958 388151360 /nfs/dbraw/zinc/15/13/60/388151360.db2.gz KECOFEKABWNROL-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC[C@H]2C2CCC2)[nH]1 ZINC000646138338 388154120 /nfs/dbraw/zinc/15/41/20/388154120.db2.gz CSVNKAQEVGKGNO-JTQLQIEISA-N 1 2 236.319 1.665 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC[C@H]2C2CCC2)[nH]1 ZINC000646138338 388154122 /nfs/dbraw/zinc/15/41/22/388154122.db2.gz CSVNKAQEVGKGNO-JTQLQIEISA-N 1 2 236.319 1.665 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000449664485 388250076 /nfs/dbraw/zinc/25/00/76/388250076.db2.gz PNNCFCLODXUFCF-LPEHRKFASA-N 1 2 215.293 1.094 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000449664176 388250117 /nfs/dbraw/zinc/25/01/17/388250117.db2.gz PMOXTXNIQBMVGP-MNOVXSKESA-N 1 2 239.319 1.201 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449664422 388250454 /nfs/dbraw/zinc/25/04/54/388250454.db2.gz LIWMDGLZNRRKGI-XWLWVQCSSA-N 1 2 229.320 1.482 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CCC1 ZINC000456341341 388195229 /nfs/dbraw/zinc/19/52/29/388195229.db2.gz DVMNUQMIVPMWBG-VIFPVBQESA-N 1 2 221.304 1.880 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)C(C)(F)F)n1C ZINC000449414146 388198184 /nfs/dbraw/zinc/19/81/84/388198184.db2.gz LHSBUVHQOSDZNT-MRVPVSSYSA-N 1 2 217.263 1.862 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)SC ZINC000456385735 388198708 /nfs/dbraw/zinc/19/87/08/388198708.db2.gz MJUKZBUEGGVPJP-DTWKUNHWSA-N 1 2 241.360 1.832 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456404093 388199512 /nfs/dbraw/zinc/19/95/12/388199512.db2.gz WXUZBKYWYICFID-UKKRHICBSA-N 1 2 249.314 1.430 20 0 BDADLO CC[N@H+](Cc1cccnc1C)C1COC1 ZINC000449422444 388200550 /nfs/dbraw/zinc/20/05/50/388200550.db2.gz DFOHMJSLFRRNNV-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1cccnc1C)C1COC1 ZINC000449422444 388200552 /nfs/dbraw/zinc/20/05/52/388200552.db2.gz DFOHMJSLFRRNNV-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@H+](Cc1cccc(O)c1OC)C1COC1 ZINC000449427690 388203230 /nfs/dbraw/zinc/20/32/30/388203230.db2.gz SQTQTCDHQTYNOA-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CC[N@@H+](Cc1cccc(O)c1OC)C1COC1 ZINC000449427690 388203231 /nfs/dbraw/zinc/20/32/31/388203231.db2.gz SQTQTCDHQTYNOA-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CC[N@H+](Cc1ccc(C)cn1)C1COC1 ZINC000449430384 388203648 /nfs/dbraw/zinc/20/36/48/388203648.db2.gz ZGXXWEXMFUQXTP-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1ccc(C)cn1)C1COC1 ZINC000449430384 388203651 /nfs/dbraw/zinc/20/36/51/388203651.db2.gz ZGXXWEXMFUQXTP-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[C@H](O)[C@H](CC)Nc1nc[nH+]c(N)c1Cl ZINC000313153655 256541871 /nfs/dbraw/zinc/54/18/71/256541871.db2.gz AQCOUBXOAQASQI-BQBZGAKWSA-N 1 2 244.726 1.674 20 0 BDADLO CC[C@H](O)[C@H](CC)Nc1[nH+]cnc(N)c1Cl ZINC000313153655 256541872 /nfs/dbraw/zinc/54/18/72/256541872.db2.gz AQCOUBXOAQASQI-BQBZGAKWSA-N 1 2 244.726 1.674 20 0 BDADLO Cc1cc(NCCc2cn(C)c[nH+]2)ncn1 ZINC000313481862 256549345 /nfs/dbraw/zinc/54/93/45/256549345.db2.gz INIDELRPUFWCLN-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO CCCc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000449520497 388223176 /nfs/dbraw/zinc/22/31/76/388223176.db2.gz DZDKJKPVNCTQAW-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000449520497 388223177 /nfs/dbraw/zinc/22/31/77/388223177.db2.gz DZDKJKPVNCTQAW-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO CCOC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000489918357 388227905 /nfs/dbraw/zinc/22/79/05/388227905.db2.gz NBAPXFPERZDOSK-JTQLQIEISA-N 1 2 235.331 1.921 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2csnn2)c[nH+]1 ZINC000456858857 388228566 /nfs/dbraw/zinc/22/85/66/388228566.db2.gz MDCHWWKHKZHOEV-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO Cc1nc(N2CC[C@H]3CCC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000490037306 388231508 /nfs/dbraw/zinc/23/15/08/388231508.db2.gz XYCURZIWAVPVCC-MNOVXSKESA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H]3CCC[C@@H]32)[nH+]1 ZINC000490037306 388231510 /nfs/dbraw/zinc/23/15/10/388231510.db2.gz XYCURZIWAVPVCC-MNOVXSKESA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000490063115 388233128 /nfs/dbraw/zinc/23/31/28/388233128.db2.gz NHAYLQTVDUTMNA-IUCAKERBSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H](C)[C@@H]2C)[nH+]1 ZINC000490063115 388233130 /nfs/dbraw/zinc/23/31/30/388233130.db2.gz NHAYLQTVDUTMNA-IUCAKERBSA-N 1 2 235.335 1.481 20 0 BDADLO CCc1cccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000449569997 388235738 /nfs/dbraw/zinc/23/57/38/388235738.db2.gz ITLRAIWPNAKJTK-UHFFFAOYSA-N 1 2 244.298 1.271 20 0 BDADLO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000164796200 388248089 /nfs/dbraw/zinc/24/80/89/388248089.db2.gz FOPZPPIBSVQHHO-QWRGUYRKSA-N 1 2 209.293 1.050 20 0 BDADLO COCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451788804 388296921 /nfs/dbraw/zinc/29/69/21/388296921.db2.gz POHYDXIQUSMMDF-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451788804 388296923 /nfs/dbraw/zinc/29/69/23/388296923.db2.gz POHYDXIQUSMMDF-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO C[C@@H](O)C[N@H+](CCC1CC1)CC(F)F ZINC000451828408 388299028 /nfs/dbraw/zinc/29/90/28/388299028.db2.gz FRAOGPNJSZZABH-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](O)C[N@@H+](CCC1CC1)CC(F)F ZINC000451828408 388299030 /nfs/dbraw/zinc/29/90/30/388299030.db2.gz FRAOGPNJSZZABH-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](O)C[N@H+](CC[C@H](C)F)CC(F)F ZINC000451834514 388300008 /nfs/dbraw/zinc/30/00/08/388300008.db2.gz NTOJIIIAYMMJIT-JGVFFNPUSA-N 1 2 213.243 1.682 20 0 BDADLO C[C@@H](O)C[N@@H+](CC[C@H](C)F)CC(F)F ZINC000451834514 388300009 /nfs/dbraw/zinc/30/00/09/388300009.db2.gz NTOJIIIAYMMJIT-JGVFFNPUSA-N 1 2 213.243 1.682 20 0 BDADLO CCOC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007094307 256598675 /nfs/dbraw/zinc/59/86/75/256598675.db2.gz RBKPUCUYPNRWIO-UHFFFAOYSA-N 1 2 227.289 1.022 20 0 BDADLO CC(C)(C)C=CC(=O)NCc1[nH]cc[nH+]1 ZINC000491892930 388326916 /nfs/dbraw/zinc/32/69/16/388326916.db2.gz GNXVOJFSCQOTFW-PLNGDYQASA-N 1 2 207.277 1.628 20 0 BDADLO CC(C)(C)/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000491892930 388326917 /nfs/dbraw/zinc/32/69/17/388326917.db2.gz GNXVOJFSCQOTFW-PLNGDYQASA-N 1 2 207.277 1.628 20 0 BDADLO O=C(/C=C\C1CC1)NCCCn1cc[nH+]c1 ZINC000491943802 388328844 /nfs/dbraw/zinc/32/88/44/388328844.db2.gz XOOXZSXOTOHHEV-PLNGDYQASA-N 1 2 219.288 1.356 20 0 BDADLO O=C(/C=C/c1ccncc1)NCCc1[nH]cc[nH+]1 ZINC000491944508 388328960 /nfs/dbraw/zinc/32/89/60/388328960.db2.gz CKPDPTUOONPZHY-OWOJBTEDSA-N 1 2 242.282 1.177 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)NCCn1cc[nH+]c1 ZINC000491949571 388329494 /nfs/dbraw/zinc/32/94/94/388329494.db2.gz AAANSRQMFMGCRD-ARJAWSKDSA-N 1 2 230.271 1.041 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](SC)C2)[nH]1 ZINC000451329855 388263387 /nfs/dbraw/zinc/26/33/87/388263387.db2.gz YELNFTXSEZQGIH-MRVPVSSYSA-N 1 2 226.349 1.304 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](SC)C2)[nH]1 ZINC000451329855 388263389 /nfs/dbraw/zinc/26/33/89/388263389.db2.gz YELNFTXSEZQGIH-MRVPVSSYSA-N 1 2 226.349 1.304 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(C)noc2C)on1 ZINC000070125492 388268427 /nfs/dbraw/zinc/26/84/27/388268427.db2.gz OPTGWLQCYSHRPX-UHFFFAOYSA-N 1 2 221.260 1.878 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451418452 388271137 /nfs/dbraw/zinc/27/11/37/388271137.db2.gz MKNHZOOYWUEOTN-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451418452 388271138 /nfs/dbraw/zinc/27/11/38/388271138.db2.gz MKNHZOOYWUEOTN-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)[nH]1 ZINC000451454010 388274782 /nfs/dbraw/zinc/27/47/82/388274782.db2.gz JEFWEGOATKBSHX-VHSXEESVSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)[nH]1 ZINC000451454010 388274784 /nfs/dbraw/zinc/27/47/84/388274784.db2.gz JEFWEGOATKBSHX-VHSXEESVSA-N 1 2 238.335 1.273 20 0 BDADLO CCc1nc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)no1 ZINC000451489317 388277641 /nfs/dbraw/zinc/27/76/41/388277641.db2.gz HHMMXSYQICDZLI-IUCAKERBSA-N 1 2 239.319 1.535 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC1(COC)CC1 ZINC000492409883 388343662 /nfs/dbraw/zinc/34/36/62/388343662.db2.gz QKMFJOBYSUAHRW-SNAWJCMRSA-N 1 2 249.314 1.211 20 0 BDADLO Cc1ccc(NCN2CCC(=O)CC2)[nH+]c1 ZINC000275799228 388345849 /nfs/dbraw/zinc/34/58/49/388345849.db2.gz ONQSUBWYFVVIOB-UHFFFAOYSA-N 1 2 219.288 1.424 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1cocn1)C(F)(F)F ZINC000277113953 388352426 /nfs/dbraw/zinc/35/24/26/388352426.db2.gz XWCAVHSDVXOJRO-SSDOTTSWSA-N 1 2 224.182 1.078 20 0 BDADLO c1cn(CCNc2nnc(C3CC3)o2)c[nH+]1 ZINC000278417606 388355404 /nfs/dbraw/zinc/35/54/04/388355404.db2.gz OGYOBMMOKOHFJQ-UHFFFAOYSA-N 1 2 219.248 1.256 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000086457302 388359283 /nfs/dbraw/zinc/35/92/83/388359283.db2.gz OYVGFCOIHOEYEO-SNVBAGLBSA-N 1 2 231.336 1.685 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000086457302 388359284 /nfs/dbraw/zinc/35/92/84/388359284.db2.gz OYVGFCOIHOEYEO-SNVBAGLBSA-N 1 2 231.336 1.685 20 0 BDADLO CCC(CC)CC(=O)NCC[NH+]1CCOCC1 ZINC000164181731 388375212 /nfs/dbraw/zinc/37/52/12/388375212.db2.gz WHTJGLKXAWBFPD-UHFFFAOYSA-N 1 2 242.363 1.261 20 0 BDADLO Cc1noc(C)c1CC[NH+]1CCOCC1 ZINC000164607288 388380871 /nfs/dbraw/zinc/38/08/71/388380871.db2.gz LNVZHNLJKFRDGJ-UHFFFAOYSA-N 1 2 210.277 1.166 20 0 BDADLO CCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000646561468 388382877 /nfs/dbraw/zinc/38/28/77/388382877.db2.gz VFKHWQJQOQALNE-NSHDSACASA-N 1 2 235.331 1.752 20 0 BDADLO Cc1c(CN(C)Cc2c[nH+]cn2C)cnn1C ZINC000572929135 388389866 /nfs/dbraw/zinc/38/98/66/388389866.db2.gz LDZHDMPWOBNPTQ-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CS[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572967396 388399867 /nfs/dbraw/zinc/39/98/67/388399867.db2.gz CLLIQQROOFTOTA-SSDOTTSWSA-N 1 2 227.333 1.513 20 0 BDADLO Nc1ccc(NC(=O)CCC2CC2)c[nH+]1 ZINC000238133814 388400182 /nfs/dbraw/zinc/40/01/82/388400182.db2.gz WXWBNCFUKJMBNN-UHFFFAOYSA-N 1 2 205.261 1.793 20 0 BDADLO O=C(/C=C\C1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000492073308 388333704 /nfs/dbraw/zinc/33/37/04/388333704.db2.gz VKLDADQSNIGFFG-PLNGDYQASA-N 1 2 231.299 1.623 20 0 BDADLO C[C@H](CNC(=O)/C=C\C1CCC1)Cn1cc[nH+]c1 ZINC000492092785 388334671 /nfs/dbraw/zinc/33/46/71/388334671.db2.gz UYRXOMMKDKZYNT-FOQNGQEVSA-N 1 2 247.342 1.992 20 0 BDADLO CC[C@H](C)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492279112 388340271 /nfs/dbraw/zinc/34/02/71/388340271.db2.gz RQKBQTADNJZBEP-GFVADAIESA-N 1 2 221.304 1.831 20 0 BDADLO CC[C@@H](C)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492279113 388340279 /nfs/dbraw/zinc/34/02/79/388340279.db2.gz RQKBQTADNJZBEP-JYESYGNLSA-N 1 2 221.304 1.831 20 0 BDADLO FC1(C[NH+]2CCN(c3cnccn3)CC2)CC1 ZINC000525977461 388439639 /nfs/dbraw/zinc/43/96/39/388439639.db2.gz CYDVQFYXUDZICH-UHFFFAOYSA-N 1 2 236.294 1.101 20 0 BDADLO O=C(CC1CC1)NCCNc1cccc[nH+]1 ZINC000299228660 388440819 /nfs/dbraw/zinc/44/08/19/388440819.db2.gz PLWONCKPWCAXET-UHFFFAOYSA-N 1 2 219.288 1.410 20 0 BDADLO CC(C)(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000041568553 388457974 /nfs/dbraw/zinc/45/79/74/388457974.db2.gz JJAYCOYRZXHLGJ-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000515387079 256745167 /nfs/dbraw/zinc/74/51/67/256745167.db2.gz YZTVDRFIBAYVKO-JTQLQIEISA-N 1 2 249.343 1.907 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000515387079 256745168 /nfs/dbraw/zinc/74/51/68/256745168.db2.gz YZTVDRFIBAYVKO-JTQLQIEISA-N 1 2 249.343 1.907 20 0 BDADLO C[C@@H](C[NH2+]Cc1ccn[nH]1)C(F)(F)F ZINC000336695665 388463797 /nfs/dbraw/zinc/46/37/97/388463797.db2.gz SVPIYNURDOYTPE-LURJTMIESA-N 1 2 207.199 1.698 20 0 BDADLO CC[C@@H]([NH2+]CC1(SC)CCC1)C(=O)OC ZINC000336699406 388464214 /nfs/dbraw/zinc/46/42/14/388464214.db2.gz UOEPMZJFHPJYAG-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000648863845 388475006 /nfs/dbraw/zinc/47/50/06/388475006.db2.gz ZLEWHNGODARNAY-WPRPVWTQSA-N 1 2 235.287 1.346 20 0 BDADLO CCC[N@H+](CC1(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000525976812 388439271 /nfs/dbraw/zinc/43/92/71/388439271.db2.gz NHPGCBYSTZHXPS-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO CCC[N@@H+](CC1(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000525976812 388439273 /nfs/dbraw/zinc/43/92/73/388439273.db2.gz NHPGCBYSTZHXPS-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCC12CC2 ZINC000528518771 388541597 /nfs/dbraw/zinc/54/15/97/388541597.db2.gz RVJAMYZJMNGPGO-JTQLQIEISA-N 1 2 233.315 1.649 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000528527209 388544089 /nfs/dbraw/zinc/54/40/89/388544089.db2.gz SFKYVTNMWNSFJN-UNLJNPQMSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000528527209 388544091 /nfs/dbraw/zinc/54/40/91/388544091.db2.gz SFKYVTNMWNSFJN-UNLJNPQMSA-N 1 2 219.712 1.211 20 0 BDADLO CC(C)SCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000517362592 388548105 /nfs/dbraw/zinc/54/81/05/388548105.db2.gz VTMNPLZEOWACDP-JTQLQIEISA-N 1 2 241.360 1.529 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2conc2C)s1 ZINC000339346360 388482935 /nfs/dbraw/zinc/48/29/35/388482935.db2.gz ATEFQYCZDWEZLC-SSDOTTSWSA-N 1 2 238.316 1.994 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCC(=O)C1 ZINC000648912802 388489520 /nfs/dbraw/zinc/48/95/20/388489520.db2.gz RUFVYWLDJDJMCS-VIFPVBQESA-N 1 2 248.282 1.076 20 0 BDADLO CCC[C@H]([NH2+]CC1=CCOCC1)C(=O)OCC ZINC000397807847 388500901 /nfs/dbraw/zinc/50/09/01/388500901.db2.gz YJBPSBSEPBUSEQ-LBPRGKRZSA-N 1 2 241.331 1.655 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000548629855 388549139 /nfs/dbraw/zinc/54/91/39/388549139.db2.gz RTBWOEXEPSZIOX-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000548629855 388549142 /nfs/dbraw/zinc/54/91/42/388549142.db2.gz RTBWOEXEPSZIOX-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO COCCC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000528581931 388549138 /nfs/dbraw/zinc/54/91/38/388549138.db2.gz KCMRCOFDPKQKLM-UHFFFAOYSA-N 1 2 238.335 1.096 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135705849 388506374 /nfs/dbraw/zinc/50/63/74/388506374.db2.gz AREDCPQVQARCIE-AAEUAGOBSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135705849 388506377 /nfs/dbraw/zinc/50/63/77/388506377.db2.gz AREDCPQVQARCIE-AAEUAGOBSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135705824 388506789 /nfs/dbraw/zinc/50/67/89/388506789.db2.gz AREDCPQVQARCIE-YPMHNXCESA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135705824 388506791 /nfs/dbraw/zinc/50/67/91/388506791.db2.gz AREDCPQVQARCIE-YPMHNXCESA-N 1 2 242.363 1.402 20 0 BDADLO C[C@H]1CC[N@H+](CCCC(=O)N(C)C)CC1(F)F ZINC000516874995 388522902 /nfs/dbraw/zinc/52/29/02/388522902.db2.gz AJAAKDZZVNRUBA-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO C[C@H]1CC[N@@H+](CCCC(=O)N(C)C)CC1(F)F ZINC000516874995 388522904 /nfs/dbraw/zinc/52/29/04/388522904.db2.gz AJAAKDZZVNRUBA-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)s2)C[C@H]1O ZINC000528433076 388525335 /nfs/dbraw/zinc/52/53/35/388525335.db2.gz XFCDFCZPFHGMHG-VXNVDRBHSA-N 1 2 239.344 1.228 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)s2)C[C@H]1O ZINC000528433076 388525338 /nfs/dbraw/zinc/52/53/38/388525338.db2.gz XFCDFCZPFHGMHG-VXNVDRBHSA-N 1 2 239.344 1.228 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000528472665 388531248 /nfs/dbraw/zinc/53/12/48/388531248.db2.gz FBXRTLSZYITCGI-NQQMTHLYSA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000528472665 388531250 /nfs/dbraw/zinc/53/12/50/388531250.db2.gz FBXRTLSZYITCGI-NQQMTHLYSA-N 1 2 235.780 1.972 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cccnc2C)C1 ZINC000330510943 388531511 /nfs/dbraw/zinc/53/15/11/388531511.db2.gz BAABNPVQOCNVML-RYUDHWBXSA-N 1 2 249.314 1.515 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cccnc2C)C1 ZINC000330510943 388531515 /nfs/dbraw/zinc/53/15/15/388531515.db2.gz BAABNPVQOCNVML-RYUDHWBXSA-N 1 2 249.314 1.515 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528467700 388531655 /nfs/dbraw/zinc/53/16/55/388531655.db2.gz YRCDEOAKBONWOT-BLFANLJRSA-N 1 2 248.326 1.810 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000528477313 388532409 /nfs/dbraw/zinc/53/24/09/388532409.db2.gz QECWGSYSZHWPCC-KQAHIDIBSA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000528477313 388532412 /nfs/dbraw/zinc/53/24/12/388532412.db2.gz QECWGSYSZHWPCC-KQAHIDIBSA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCc2n[nH]nc2C1 ZINC000528475227 388533051 /nfs/dbraw/zinc/53/30/51/388533051.db2.gz QNSMKMNCTAYTMI-FARCUNLSSA-N 1 2 212.684 1.305 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCc2n[nH]nc2C1 ZINC000528475227 388533053 /nfs/dbraw/zinc/53/30/53/388533053.db2.gz QNSMKMNCTAYTMI-FARCUNLSSA-N 1 2 212.684 1.305 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351810930 388534336 /nfs/dbraw/zinc/53/43/36/388534336.db2.gz OHCRZNCSOQADPC-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)no1 ZINC000351810930 388534339 /nfs/dbraw/zinc/53/43/39/388534339.db2.gz OHCRZNCSOQADPC-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H](C)CO)s1 ZINC000528494940 388535212 /nfs/dbraw/zinc/53/52/12/388535212.db2.gz AQBMDIHHVCLIPV-MRVPVSSYSA-N 1 2 229.349 1.474 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H](C)CO)s1 ZINC000528494940 388535217 /nfs/dbraw/zinc/53/52/17/388535217.db2.gz AQBMDIHHVCLIPV-MRVPVSSYSA-N 1 2 229.349 1.474 20 0 BDADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)CC(F)F ZINC000648960742 388586549 /nfs/dbraw/zinc/58/65/49/388586549.db2.gz NBNTVLDINMKPHU-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)CC(F)F ZINC000648960742 388586550 /nfs/dbraw/zinc/58/65/50/388586550.db2.gz NBNTVLDINMKPHU-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000549848491 388593082 /nfs/dbraw/zinc/59/30/82/388593082.db2.gz OOUFABHTCPIFLJ-VIFPVBQESA-N 1 2 229.230 1.290 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000549848491 388593085 /nfs/dbraw/zinc/59/30/85/388593085.db2.gz OOUFABHTCPIFLJ-VIFPVBQESA-N 1 2 229.230 1.290 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCOC(C)(C)C1 ZINC000184394888 256845528 /nfs/dbraw/zinc/84/55/28/256845528.db2.gz WJZRCAIEABCMER-JTQLQIEISA-N 1 2 221.304 1.648 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCOC(C)(C)C1 ZINC000184394888 256845530 /nfs/dbraw/zinc/84/55/30/256845530.db2.gz WJZRCAIEABCMER-JTQLQIEISA-N 1 2 221.304 1.648 20 0 BDADLO CC(C)c1nc(N2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000106462432 388595616 /nfs/dbraw/zinc/59/56/16/388595616.db2.gz QCJOYXKMNKZSNU-JTQLQIEISA-N 1 2 248.330 1.302 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@]2(C)OC(C)C)c[nH+]1 ZINC000529970563 388600102 /nfs/dbraw/zinc/60/01/02/388600102.db2.gz WVKSCKQFTXELQK-PWSUYJOCSA-N 1 2 237.303 1.404 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2nncn2C)CCCO1 ZINC000550186940 388600364 /nfs/dbraw/zinc/60/03/64/388600364.db2.gz SSMMMNAFYCJMFM-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2nncn2C)CCCO1 ZINC000550186940 388600366 /nfs/dbraw/zinc/60/03/66/388600366.db2.gz SSMMMNAFYCJMFM-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)N(C)CC(F)(F)F ZINC000548752559 388555547 /nfs/dbraw/zinc/55/55/47/388555547.db2.gz FIUPRCJUIGPRAZ-YUMQZZPRSA-N 1 2 238.253 1.490 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000517638900 388556588 /nfs/dbraw/zinc/55/65/88/388556588.db2.gz VHYMIPJNWXJUCT-LLVKDONJSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)co1 ZINC000528681744 388558195 /nfs/dbraw/zinc/55/81/95/388558195.db2.gz CBFPRKSQKUDRGZ-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)co1 ZINC000528681744 388558199 /nfs/dbraw/zinc/55/81/99/388558199.db2.gz CBFPRKSQKUDRGZ-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO COC[C@@H]1CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548813916 388563523 /nfs/dbraw/zinc/56/35/23/388563523.db2.gz XIKUDIZCJVLTMX-VHSXEESVSA-N 1 2 249.314 1.077 20 0 BDADLO FC(F)COCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367533318 388565189 /nfs/dbraw/zinc/56/51/89/388565189.db2.gz JUNUWVZBAZLPAT-SECBINFHSA-N 1 2 245.273 1.658 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cn(C)nn1 ZINC000528772763 388571338 /nfs/dbraw/zinc/57/13/38/388571338.db2.gz NGSKRYFZJCCWSN-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cn(C)nn1 ZINC000528772763 388571339 /nfs/dbraw/zinc/57/13/39/388571339.db2.gz NGSKRYFZJCCWSN-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549408497 388578943 /nfs/dbraw/zinc/57/89/43/388578943.db2.gz FUQNSZJZDAZKJU-YUMQZZPRSA-N 1 2 237.246 1.252 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549408497 388578945 /nfs/dbraw/zinc/57/89/45/388578945.db2.gz FUQNSZJZDAZKJU-YUMQZZPRSA-N 1 2 237.246 1.252 20 0 BDADLO CC(C)CSCC(=O)N1CC[NH+](C)CC1 ZINC000043849521 388585001 /nfs/dbraw/zinc/58/50/01/388585001.db2.gz WYZNYJYRGFENJJ-UHFFFAOYSA-N 1 2 230.377 1.150 20 0 BDADLO CCc1noc(C)c1NC(=O)Cn1cc[nH+]c1 ZINC000521916438 388667151 /nfs/dbraw/zinc/66/71/51/388667151.db2.gz YKIHMHUOMUGGCD-UHFFFAOYSA-N 1 2 234.259 1.381 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CC[C@@H](C)F ZINC000552082677 388667752 /nfs/dbraw/zinc/66/77/52/388667752.db2.gz BDCRDRCMKCEOMY-ZJUUUORDSA-N 1 2 249.351 1.715 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CC[C@@H](C)F ZINC000552082677 388667753 /nfs/dbraw/zinc/66/77/53/388667753.db2.gz BDCRDRCMKCEOMY-ZJUUUORDSA-N 1 2 249.351 1.715 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@H](CC)C(=O)OC)CCO1 ZINC000247915601 388670807 /nfs/dbraw/zinc/67/08/07/388670807.db2.gz AZNLFZWYAACFEY-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@H](CC)C(=O)OC)CCO1 ZINC000247915601 388670809 /nfs/dbraw/zinc/67/08/09/388670809.db2.gz AZNLFZWYAACFEY-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCO[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227779 388683039 /nfs/dbraw/zinc/68/30/39/388683039.db2.gz QTQFYZMIUMMYCL-HTQZYQBOSA-N 1 2 211.265 1.012 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)OC)C[C@H]1OC ZINC000246389933 388634697 /nfs/dbraw/zinc/63/46/97/388634697.db2.gz AVKFSPJIJBNPQF-GMTAPVOTSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCOC1(C)C ZINC000328364880 388641881 /nfs/dbraw/zinc/64/18/81/388641881.db2.gz GNALQOHKGXOHHP-MNOVXSKESA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cc(NC(=O)NCC(F)(F)F)c(C)c[nH+]1 ZINC000551838101 388642323 /nfs/dbraw/zinc/64/23/23/388642323.db2.gz HUHQNDVPLFVZEN-UHFFFAOYSA-N 1 2 247.220 1.804 20 0 BDADLO CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000270608386 388654917 /nfs/dbraw/zinc/65/49/17/388654917.db2.gz XNORQDABGZYZCI-CABZTGNLSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000552020154 388659875 /nfs/dbraw/zinc/65/98/75/388659875.db2.gz AIWHSLRNZDFKFB-DGCLKSJQSA-N 1 2 245.326 1.869 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000552875669 388739237 /nfs/dbraw/zinc/73/92/37/388739237.db2.gz AZBBCMXAIAGDEL-GHMZBOCLSA-N 1 2 221.304 1.673 20 0 BDADLO Cc1cnc(NC(=O)[C@H](C)[NH+]2CC(C)C2)s1 ZINC000552876546 388739749 /nfs/dbraw/zinc/73/97/49/388739749.db2.gz WWYFQXUHNGDNEL-VIFPVBQESA-N 1 2 239.344 1.730 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522266017 388740709 /nfs/dbraw/zinc/74/07/09/388740709.db2.gz SCZSFPKERBOTGT-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522266017 388740711 /nfs/dbraw/zinc/74/07/11/388740711.db2.gz SCZSFPKERBOTGT-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CCN2CCCCC2)CC[N@H+]1C ZINC000128218469 388740834 /nfs/dbraw/zinc/74/08/34/388740834.db2.gz YUVQGINIXMYXRM-KBPBESRZSA-N 1 2 239.407 1.545 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N2CCCC2)CC(C)(C)O1 ZINC000065448658 388694275 /nfs/dbraw/zinc/69/42/75/388694275.db2.gz TZCJTXIVPZXALT-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC(C)(C)O1 ZINC000065448658 388694278 /nfs/dbraw/zinc/69/42/78/388694278.db2.gz TZCJTXIVPZXALT-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO O=C1C[N@H+](Cc2ccc3ccccc3c2)CCN1 ZINC000193180715 388695642 /nfs/dbraw/zinc/69/56/42/388695642.db2.gz ULWNJYMLWKUSBR-UHFFFAOYSA-N 1 2 240.306 1.772 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3ccccc3c2)CCN1 ZINC000193180715 388695644 /nfs/dbraw/zinc/69/56/44/388695644.db2.gz ULWNJYMLWKUSBR-UHFFFAOYSA-N 1 2 240.306 1.772 20 0 BDADLO CCc1nnc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000248864452 388696503 /nfs/dbraw/zinc/69/65/03/388696503.db2.gz XZWWIFWWYUPQOS-ILWJIGKKSA-N 1 2 238.335 1.101 20 0 BDADLO CCc1nnc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)[nH]1 ZINC000248864452 388696506 /nfs/dbraw/zinc/69/65/06/388696506.db2.gz XZWWIFWWYUPQOS-ILWJIGKKSA-N 1 2 238.335 1.101 20 0 BDADLO C=Cn1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cn1 ZINC000249051015 388705189 /nfs/dbraw/zinc/70/51/89/388705189.db2.gz XNDOHGVOHZYMAA-ZYHUDNBSSA-N 1 2 248.330 1.069 20 0 BDADLO C=Cn1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cn1 ZINC000249051015 388705191 /nfs/dbraw/zinc/70/51/91/388705191.db2.gz XNDOHGVOHZYMAA-ZYHUDNBSSA-N 1 2 248.330 1.069 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)nc1 ZINC000126904010 388708242 /nfs/dbraw/zinc/70/82/42/388708242.db2.gz WQOHBJNWNWUHJY-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)nc1 ZINC000126904010 388708243 /nfs/dbraw/zinc/70/82/43/388708243.db2.gz WQOHBJNWNWUHJY-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000127012997 388710823 /nfs/dbraw/zinc/71/08/23/388710823.db2.gz MZIHUKYXZPMCHB-TXEJJXNPSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000127012997 388710824 /nfs/dbraw/zinc/71/08/24/388710824.db2.gz MZIHUKYXZPMCHB-TXEJJXNPSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC(F)F)[C@@H](C)CO1 ZINC000249260671 388714301 /nfs/dbraw/zinc/71/43/01/388714301.db2.gz HVVWNDUJQBRIHK-DTWKUNHWSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC(F)F)[C@@H](C)CO1 ZINC000249260671 388714303 /nfs/dbraw/zinc/71/43/03/388714303.db2.gz HVVWNDUJQBRIHK-DTWKUNHWSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2csnn2)[C@H]1C ZINC000127805480 388731843 /nfs/dbraw/zinc/73/18/43/388731843.db2.gz JXTADRQZYGZEGB-YUMQZZPRSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2csnn2)[C@H]1C ZINC000127805480 388731845 /nfs/dbraw/zinc/73/18/45/388731845.db2.gz JXTADRQZYGZEGB-YUMQZZPRSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC(F)(F)F)[C@@H](C)CO1 ZINC000249773089 388733103 /nfs/dbraw/zinc/73/31/03/388733103.db2.gz UICXUWAWLWKFDZ-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC(F)(F)F)[C@@H](C)CO1 ZINC000249773089 388733105 /nfs/dbraw/zinc/73/31/05/388733105.db2.gz UICXUWAWLWKFDZ-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCCC1CC1 ZINC000540462952 388806231 /nfs/dbraw/zinc/80/62/31/388806231.db2.gz AUBSXUHWVMFLST-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCCC1CC1 ZINC000540462952 388806234 /nfs/dbraw/zinc/80/62/34/388806234.db2.gz AUBSXUHWVMFLST-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000227849309 388759630 /nfs/dbraw/zinc/75/96/30/388759630.db2.gz XDBZXENLYBNILO-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO CCC[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000227849309 388759633 /nfs/dbraw/zinc/75/96/33/388759633.db2.gz XDBZXENLYBNILO-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO C[C@@H](O)CCCNc1nc[nH+]c(N)c1Cl ZINC000228000236 388764753 /nfs/dbraw/zinc/76/47/53/388764753.db2.gz AJBMVLKFRGZKJE-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO C[C@@H](O)CCCNc1[nH+]cnc(N)c1Cl ZINC000228000236 388764755 /nfs/dbraw/zinc/76/47/55/388764755.db2.gz AJBMVLKFRGZKJE-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CCSC2)c1Cl ZINC000228724049 388771484 /nfs/dbraw/zinc/77/14/84/388771484.db2.gz AZBJLNJCTWDNHD-ZCFIWIBFSA-N 1 2 244.751 1.877 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CCSC2)c1Cl ZINC000228724049 388771486 /nfs/dbraw/zinc/77/14/86/388771486.db2.gz AZBJLNJCTWDNHD-ZCFIWIBFSA-N 1 2 244.751 1.877 20 0 BDADLO COCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000539753907 388774310 /nfs/dbraw/zinc/77/43/10/388774310.db2.gz YDUXZXDGGXAPJZ-UHFFFAOYSA-N 1 2 245.282 1.339 20 0 BDADLO Cc1cc(NCCC[C@H](C)CO)nc[nH+]1 ZINC000230148058 388816595 /nfs/dbraw/zinc/81/65/95/388816595.db2.gz IKMMMKCLQQMUPI-VIFPVBQESA-N 1 2 209.293 1.606 20 0 BDADLO COc1cccnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000555587604 388855125 /nfs/dbraw/zinc/85/51/25/388855125.db2.gz BCFFVUMXIJRILY-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CC(C)CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523714216 388856415 /nfs/dbraw/zinc/85/64/15/388856415.db2.gz OGSFGQLITOVZJB-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523714216 388856419 /nfs/dbraw/zinc/85/64/19/388856419.db2.gz OGSFGQLITOVZJB-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649166501 388886070 /nfs/dbraw/zinc/88/60/70/388886070.db2.gz DTUFDARIIFEVGR-GARJFASQSA-N 1 2 233.315 1.647 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[nH]c[nH+]1 ZINC000649167227 388886149 /nfs/dbraw/zinc/88/61/49/388886149.db2.gz OYMJUCDHVFIPDH-GMTAPVOTSA-N 1 2 247.342 1.992 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565107485 388914242 /nfs/dbraw/zinc/91/42/42/388914242.db2.gz MPCKVNWXKBPMEZ-RKDXNWHRSA-N 1 2 221.304 1.807 20 0 BDADLO C[C@@H](C(=O)N1[C@@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000565184782 388922611 /nfs/dbraw/zinc/92/26/11/388922611.db2.gz CTHQKZJYUZUVSD-SRVKXCTJSA-N 1 2 240.347 1.107 20 0 BDADLO COCCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565179930 388922717 /nfs/dbraw/zinc/92/27/17/388922717.db2.gz YKYWKICLDZGBMX-SNVBAGLBSA-N 1 2 239.319 1.083 20 0 BDADLO COCCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565179930 388922719 /nfs/dbraw/zinc/92/27/19/388922719.db2.gz YKYWKICLDZGBMX-SNVBAGLBSA-N 1 2 239.319 1.083 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000565185538 388923141 /nfs/dbraw/zinc/92/31/41/388923141.db2.gz KOMBODITDMJALO-UHFFFAOYSA-N 1 2 236.359 1.635 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@H]1CCSC1 ZINC000572570857 388961553 /nfs/dbraw/zinc/96/15/53/388961553.db2.gz SQMYEQVDBNOMEG-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000572570857 388961557 /nfs/dbraw/zinc/96/15/57/388961557.db2.gz SQMYEQVDBNOMEG-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n(C)n1 ZINC000565776760 388968314 /nfs/dbraw/zinc/96/83/14/388968314.db2.gz GLCXJYASWKLHML-SNVBAGLBSA-N 1 2 247.302 1.515 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000565342399 388938329 /nfs/dbraw/zinc/93/83/29/388938329.db2.gz OAMPUDFICRIWFE-NSHDSACASA-N 1 2 220.272 1.044 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000565342399 388938332 /nfs/dbraw/zinc/93/83/32/388938332.db2.gz OAMPUDFICRIWFE-NSHDSACASA-N 1 2 220.272 1.044 20 0 BDADLO [NH3+][C@H](C(=O)NCCCC1CC1)c1cscn1 ZINC000566098092 388986865 /nfs/dbraw/zinc/98/68/65/388986865.db2.gz SWWQTTXAQIWWCK-JTQLQIEISA-N 1 2 239.344 1.449 20 0 BDADLO CCC(C)(C)[C@H](C)NCC(F)(F)C[NH3+] ZINC000566092386 388987224 /nfs/dbraw/zinc/98/72/24/388987224.db2.gz SNAOYOBQVVFWLZ-QMMMGPOBSA-N 1 2 208.296 1.995 20 0 BDADLO Cc1nnc(NCCNc2cccc[nH+]2)o1 ZINC000265447166 388993515 /nfs/dbraw/zinc/99/35/15/388993515.db2.gz BXHSBEKQDKLPKH-UHFFFAOYSA-N 1 2 219.248 1.297 20 0 BDADLO COC(=O)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000266133813 388993841 /nfs/dbraw/zinc/99/38/41/388993841.db2.gz DSAWJBCUVKDZOH-ZETCQYMHSA-N 1 2 209.249 1.149 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)o1 ZINC000266977547 388997606 /nfs/dbraw/zinc/99/76/06/388997606.db2.gz OJDHGADGHXBAMZ-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO CCC=C(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266977721 388998051 /nfs/dbraw/zinc/99/80/51/388998051.db2.gz ORGBTKVHDIFIBM-VMPITWQZSA-N 1 2 207.277 1.691 20 0 BDADLO C[C@H](O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301752339 132257466 /nfs/dbraw/zinc/25/74/66/132257466.db2.gz BKSNLIFULGMLSA-QWRGUYRKSA-N 1 2 206.289 1.679 20 0 BDADLO Cn1cncc1C[NH2+]Cc1c(F)cccc1F ZINC000268529203 389003679 /nfs/dbraw/zinc/00/36/79/389003679.db2.gz HYFSPXPONWRIKM-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000271001051 389017445 /nfs/dbraw/zinc/01/74/45/389017445.db2.gz YVFLXXRYHPAACM-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000271001051 389017451 /nfs/dbraw/zinc/01/74/51/389017451.db2.gz YVFLXXRYHPAACM-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO Cn1cc[nH+]c1CNc1nnc(C(F)F)s1 ZINC000271581823 389021538 /nfs/dbraw/zinc/02/15/38/389021538.db2.gz DTNHNEZSUPNWKO-UHFFFAOYSA-N 1 2 245.258 1.821 20 0 BDADLO C[C@H](NCc1ncccc1F)c1[nH+]ccn1C ZINC000530477283 322815085 /nfs/dbraw/zinc/81/50/85/322815085.db2.gz YDUPNRVJXQMISO-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cc1csc(C2([NH2+][C@H](C)C(N)=O)CCC2)n1 ZINC000273031874 389037303 /nfs/dbraw/zinc/03/73/03/389037303.db2.gz SHURKODZOTYLHU-MRVPVSSYSA-N 1 2 239.344 1.294 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@H](C)c1nccs1 ZINC000070733027 169676336 /nfs/dbraw/zinc/67/63/36/169676336.db2.gz NCNZVMLLWPSJKK-MRVPVSSYSA-N 1 2 227.333 1.272 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)C1CC1 ZINC000109119544 322818004 /nfs/dbraw/zinc/81/80/04/322818004.db2.gz IKBZPXNMLHYJHK-UHFFFAOYSA-N 1 2 243.310 1.966 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1cccs1 ZINC000174753305 533266786 /nfs/dbraw/zinc/26/67/86/533266786.db2.gz YBKXDRICZAEVGW-SECBINFHSA-N 1 2 249.339 1.934 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000488125067 533337500 /nfs/dbraw/zinc/33/75/00/533337500.db2.gz DKTQEDOXWHJGNY-WDEREUQCSA-N 1 2 241.331 1.485 20 0 BDADLO CO[C@]1(C)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493482329 533362269 /nfs/dbraw/zinc/36/22/69/533362269.db2.gz HCDMUTAVOGWMKC-MUBLQREKSA-N 1 2 249.314 1.450 20 0 BDADLO C/C(=C/c1ccccc1)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000255143361 533391462 /nfs/dbraw/zinc/39/14/62/533391462.db2.gz OCNCQWVAYMEMRH-KXXVWKPMSA-N 1 2 244.338 1.910 20 0 BDADLO C/C(=C/c1ccccc1)C[N@H+]1CCNC(=O)[C@H]1C ZINC000255143361 533391464 /nfs/dbraw/zinc/39/14/64/533391464.db2.gz OCNCQWVAYMEMRH-KXXVWKPMSA-N 1 2 244.338 1.910 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1cn[nH]c1 ZINC000494667003 533473637 /nfs/dbraw/zinc/47/36/37/533473637.db2.gz ILGWYNSBKVLOCY-MRVPVSSYSA-N 1 2 249.322 1.002 20 0 BDADLO CSCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493346053 533553906 /nfs/dbraw/zinc/55/39/06/533553906.db2.gz AUTQAQXPTPEFOX-PLNGDYQASA-N 1 2 239.344 1.682 20 0 BDADLO C[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1CO ZINC000493468639 533637440 /nfs/dbraw/zinc/63/74/40/533637440.db2.gz RDFMQNMNHFTFHB-SFLCEZBHSA-N 1 2 249.314 1.042 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000266149594 132184257 /nfs/dbraw/zinc/18/42/57/132184257.db2.gz JWIKGCLXGCCEAL-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1nc(N2C[C@H](C)OC(C)(C)C2)cc[nH+]1 ZINC000266144859 132184271 /nfs/dbraw/zinc/18/42/71/132184271.db2.gz RLHGTLLDNSLWRK-VIFPVBQESA-N 1 2 221.304 1.789 20 0 BDADLO COC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000266282168 132185784 /nfs/dbraw/zinc/18/57/84/132185784.db2.gz UKMARJLPHOHXQK-LLVKDONJSA-N 1 2 249.314 1.206 20 0 BDADLO CO[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC000275932289 132205385 /nfs/dbraw/zinc/20/53/85/132205385.db2.gz FYFGNFYPQYHBOO-MWLCHTKSSA-N 1 2 221.304 1.646 20 0 BDADLO CC1(C)CN(c2cccc[nH+]2)C[C@@]2(CCOC2)O1 ZINC000280140007 132209956 /nfs/dbraw/zinc/20/99/56/132209956.db2.gz FCAKUDIAKAKWMF-CQSZACIVSA-N 1 2 248.326 1.856 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@]2(CCOC2)O1 ZINC000280245065 132210289 /nfs/dbraw/zinc/21/02/89/132210289.db2.gz MRWPGTMQHPDCQG-AAEUAGOBSA-N 1 2 234.299 1.466 20 0 BDADLO Cc1cc(N2CCCCN2)[nH+]c(C2CC2)n1 ZINC000288903209 132216461 /nfs/dbraw/zinc/21/64/61/132216461.db2.gz IOPGFINQDGXRIE-UHFFFAOYSA-N 1 2 218.304 1.767 20 0 BDADLO C[C@@H]1C[C@@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000341036945 132225912 /nfs/dbraw/zinc/22/59/12/132225912.db2.gz CLCVYVYDHYLBAX-MNOVXSKESA-N 1 2 247.342 1.951 20 0 BDADLO O=C1NCCN1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301252188 132252158 /nfs/dbraw/zinc/25/21/58/132252158.db2.gz DNOZFXLVIZNPHV-LLVKDONJSA-N 1 2 246.314 1.076 20 0 BDADLO COCC1=CCN(c2cc(C)[nH+]cn2)CC1 ZINC000302446981 132263860 /nfs/dbraw/zinc/26/38/60/132263860.db2.gz SGKQBXQBHFGWIN-UHFFFAOYSA-N 1 2 219.288 1.568 20 0 BDADLO C[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302551044 132264222 /nfs/dbraw/zinc/26/42/22/132264222.db2.gz JXRFDSINKOEPCH-MRVPVSSYSA-N 1 2 246.318 1.182 20 0 BDADLO Cc1nc(N2CCn3ccnc3C2)c(C)c(C)[nH+]1 ZINC000354409027 132269660 /nfs/dbraw/zinc/26/96/60/132269660.db2.gz CSOFZHLVNBTCKD-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000359225649 132276115 /nfs/dbraw/zinc/27/61/15/132276115.db2.gz FVBYQVOTTCOSJJ-UWVGGRQHSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000359225649 132276118 /nfs/dbraw/zinc/27/61/18/132276118.db2.gz FVBYQVOTTCOSJJ-UWVGGRQHSA-N 1 2 249.362 1.728 20 0 BDADLO O=C(C1CC1)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000359639118 132277205 /nfs/dbraw/zinc/27/72/05/132277205.db2.gz SWULGLRGQNOJMB-NSHDSACASA-N 1 2 232.283 1.266 20 0 BDADLO COCC[C@H]1COCCN1c1cc(C)[nH+]cn1 ZINC000360099717 132278102 /nfs/dbraw/zinc/27/81/02/132278102.db2.gz URRJJZBCDKKPEP-NSHDSACASA-N 1 2 237.303 1.027 20 0 BDADLO O=C1C[N@@H+](CC2CC2)CCN1c1cccc(F)c1 ZINC000360596966 132278779 /nfs/dbraw/zinc/27/87/79/132278779.db2.gz OXDTVCFIDNZXSY-UHFFFAOYSA-N 1 2 248.301 1.884 20 0 BDADLO O=C1C[N@H+](CC2CC2)CCN1c1cccc(F)c1 ZINC000360596966 132278781 /nfs/dbraw/zinc/27/87/81/132278781.db2.gz OXDTVCFIDNZXSY-UHFFFAOYSA-N 1 2 248.301 1.884 20 0 BDADLO COc1ccnc(N2CCn3cc(C)[nH+]c3C2)n1 ZINC000374713225 132287400 /nfs/dbraw/zinc/28/74/00/132287400.db2.gz DXSIKRAVBDLQLO-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H]1OCC[C@@]12CN(c1cccc[nH+]1)CCO2 ZINC000376021373 132288398 /nfs/dbraw/zinc/28/83/98/132288398.db2.gz LNADJMUNUQCIJT-WCQYABFASA-N 1 2 234.299 1.466 20 0 BDADLO Cc1cc(N2CCCC[C@@H]2C[C@@H](C)O)nc[nH+]1 ZINC000310272400 132294504 /nfs/dbraw/zinc/29/45/04/132294504.db2.gz DPTPGMUVSJZMMZ-VXGBXAGGSA-N 1 2 235.331 1.915 20 0 BDADLO CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000041193144 132296579 /nfs/dbraw/zinc/29/65/79/132296579.db2.gz SLEULLGNOKNJSX-UHFFFAOYSA-N 1 2 248.330 1.370 20 0 BDADLO CC(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047123308 132299794 /nfs/dbraw/zinc/29/97/94/132299794.db2.gz XSDLSEVVCAWFHF-UHFFFAOYSA-N 1 2 247.342 1.823 20 0 BDADLO Cc1nc(N2CCCC[C@H]2C[C@@H](C)O)cc[nH+]1 ZINC000279454788 132307087 /nfs/dbraw/zinc/30/70/87/132307087.db2.gz MGZRWGWIFVIBGC-PWSUYJOCSA-N 1 2 235.331 1.915 20 0 BDADLO CC(C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047599290 166849886 /nfs/dbraw/zinc/84/98/86/166849886.db2.gz VKAZBBXNZFPGOH-LLVKDONJSA-N 1 2 238.335 1.617 20 0 BDADLO O=C(C1CC1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000334259788 133601832 /nfs/dbraw/zinc/60/18/32/133601832.db2.gz QXJCYSMASIABKE-CYBMUJFWSA-N 1 2 248.301 1.709 20 0 BDADLO Cc1ccc(NC(=O)c2c[nH]cn2)c(C)[nH+]1 ZINC000335774797 133900073 /nfs/dbraw/zinc/90/00/73/133900073.db2.gz QABLJUOYBFKVOY-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@](F)(CO)C2)n1 ZINC000335925867 134008761 /nfs/dbraw/zinc/00/87/61/134008761.db2.gz FVDIGHWKMVVYRN-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@](F)(CO)C2)n1 ZINC000335925867 134008762 /nfs/dbraw/zinc/00/87/62/134008762.db2.gz FVDIGHWKMVVYRN-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO CC(C)N1CC[N@H+](C[C@@H]2CCCCO2)CC1=O ZINC000335961009 134026799 /nfs/dbraw/zinc/02/67/99/134026799.db2.gz DPBFWXQUMCHOLX-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@@H]2CCCCO2)CC1=O ZINC000335961009 134026800 /nfs/dbraw/zinc/02/68/00/134026800.db2.gz DPBFWXQUMCHOLX-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000335980103 134037236 /nfs/dbraw/zinc/03/72/36/134037236.db2.gz MOOOJWXXBFJUCV-DGCLKSJQSA-N 1 2 247.342 1.754 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009612 134050350 /nfs/dbraw/zinc/05/03/50/134050350.db2.gz YNTZAFSYBKFNLN-GXSJLCMTSA-N 1 2 238.331 1.927 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000336025426 134056781 /nfs/dbraw/zinc/05/67/81/134056781.db2.gz ZLQDZFFPSNHZTC-SNVBAGLBSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000336025426 134056782 /nfs/dbraw/zinc/05/67/82/134056782.db2.gz ZLQDZFFPSNHZTC-SNVBAGLBSA-N 1 2 233.315 1.573 20 0 BDADLO C[C@@H]1[N@H+](C[C@@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026945 134057429 /nfs/dbraw/zinc/05/74/29/134057429.db2.gz GRMSEQRGCAHKAR-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1[N@@H+](C[C@@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026945 134057430 /nfs/dbraw/zinc/05/74/30/134057430.db2.gz GRMSEQRGCAHKAR-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000336039595 134060653 /nfs/dbraw/zinc/06/06/53/134060653.db2.gz GNBKMDXPVVRHKW-NSHDSACASA-N 1 2 247.273 1.783 20 0 BDADLO Cn1cc[nH+]c1CN[C@H]1COc2ccc(F)cc21 ZINC000336039595 134060654 /nfs/dbraw/zinc/06/06/54/134060654.db2.gz GNBKMDXPVVRHKW-NSHDSACASA-N 1 2 247.273 1.783 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000352115567 134072154 /nfs/dbraw/zinc/07/21/54/134072154.db2.gz MFTZBQNDFLLKKG-HTQZYQBOSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000352115567 134072155 /nfs/dbraw/zinc/07/21/55/134072155.db2.gz MFTZBQNDFLLKKG-HTQZYQBOSA-N 1 2 213.281 1.406 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cscn2)C1 ZINC000336113845 134087772 /nfs/dbraw/zinc/08/77/72/134087772.db2.gz ILDCIXFXLKTWLI-SECBINFHSA-N 1 2 212.318 1.611 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cscn2)C1 ZINC000336113845 134087773 /nfs/dbraw/zinc/08/77/73/134087773.db2.gz ILDCIXFXLKTWLI-SECBINFHSA-N 1 2 212.318 1.611 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCCOC2)c[nH+]1 ZINC000336115018 134088108 /nfs/dbraw/zinc/08/81/08/134088108.db2.gz RWOMCRSKYGHXFQ-NSHDSACASA-N 1 2 223.276 1.017 20 0 BDADLO Cc1cccc2nc(C[N@@H+]3CCCOCC3)cn21 ZINC000336142782 134101215 /nfs/dbraw/zinc/10/12/15/134101215.db2.gz AHGMIACHACITNP-UHFFFAOYSA-N 1 2 245.326 1.865 20 0 BDADLO Cc1cccc2nc(C[N@H+]3CCCOCC3)cn21 ZINC000336142782 134101216 /nfs/dbraw/zinc/10/12/16/134101216.db2.gz AHGMIACHACITNP-UHFFFAOYSA-N 1 2 245.326 1.865 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000336171120 134115101 /nfs/dbraw/zinc/11/51/01/134115101.db2.gz HBZNJNDZMCBCPA-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000336171120 134115102 /nfs/dbraw/zinc/11/51/02/134115102.db2.gz HBZNJNDZMCBCPA-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)ns1 ZINC000336174576 134116266 /nfs/dbraw/zinc/11/62/66/134116266.db2.gz GMNVLJYWAKRMBR-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)ns1 ZINC000336174576 134116267 /nfs/dbraw/zinc/11/62/67/134116267.db2.gz GMNVLJYWAKRMBR-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](F)C[C@H]2CO)sc1C ZINC000336183325 134120111 /nfs/dbraw/zinc/12/01/11/134120111.db2.gz BJKPVYGCIXQYQK-ZJUUUORDSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](F)C[C@H]2CO)sc1C ZINC000336183325 134120112 /nfs/dbraw/zinc/12/01/12/134120112.db2.gz BJKPVYGCIXQYQK-ZJUUUORDSA-N 1 2 244.335 1.665 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000336207835 134132551 /nfs/dbraw/zinc/13/25/51/134132551.db2.gz ZLCKKTUCAKYADJ-BXKDBHETSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000336207835 134132552 /nfs/dbraw/zinc/13/25/52/134132552.db2.gz ZLCKKTUCAKYADJ-BXKDBHETSA-N 1 2 221.304 1.852 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000336212153 134135017 /nfs/dbraw/zinc/13/50/17/134135017.db2.gz CNIHYCZRGZZUPJ-MRVPVSSYSA-N 1 2 231.679 1.126 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000336212153 134135018 /nfs/dbraw/zinc/13/50/18/134135018.db2.gz CNIHYCZRGZZUPJ-MRVPVSSYSA-N 1 2 231.679 1.126 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(F)cc1 ZINC000168605970 134231057 /nfs/dbraw/zinc/23/10/57/134231057.db2.gz MTGRTWSPORFGQL-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(F)cc1 ZINC000168605970 134231058 /nfs/dbraw/zinc/23/10/58/134231058.db2.gz MTGRTWSPORFGQL-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO CCCCO[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000172993496 134271676 /nfs/dbraw/zinc/27/16/76/134271676.db2.gz WNHHCUDAIUAQNP-SNVBAGLBSA-N 1 2 239.319 1.274 20 0 BDADLO CCCOCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000221512500 134324785 /nfs/dbraw/zinc/32/47/85/134324785.db2.gz TVTQSTALKYOUNR-VIFPVBQESA-N 1 2 225.292 1.404 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000180951050 134332368 /nfs/dbraw/zinc/33/23/68/134332368.db2.gz CGYUZHZDIWEQHS-PHIMTYICSA-N 1 2 223.320 1.512 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000182503515 134345453 /nfs/dbraw/zinc/34/54/53/134345453.db2.gz KGXXZTOLPCNNCY-VHSXEESVSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000182503515 134345454 /nfs/dbraw/zinc/34/54/54/134345454.db2.gz KGXXZTOLPCNNCY-VHSXEESVSA-N 1 2 239.319 1.836 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](O)CC)[C@H](C)CC ZINC000183587452 134354326 /nfs/dbraw/zinc/35/43/26/134354326.db2.gz ADZXQAJDFJXGOW-GMTAPVOTSA-N 1 2 231.336 1.325 20 0 BDADLO C/C=C/C[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000184579479 134363765 /nfs/dbraw/zinc/36/37/65/134363765.db2.gz OFHJMZVYCWMRKV-PCAWENJQSA-N 1 2 249.314 1.839 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCOC(C)C ZINC000184479030 134364383 /nfs/dbraw/zinc/36/43/83/134364383.db2.gz YEBQUWXUSNMGEK-LBPRGKRZSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1nc(C[NH+]2CCC(O)CC2)oc1C ZINC000048568142 134622129 /nfs/dbraw/zinc/62/21/29/134622129.db2.gz USJBHVCYJIBSTB-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO Cc1nc(N[C@H](C)C(=O)N2CCCCC2)cc[nH+]1 ZINC000134779143 134722505 /nfs/dbraw/zinc/72/25/05/134722505.db2.gz FYYDWQDAXVMOFP-SNVBAGLBSA-N 1 2 248.330 1.598 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000135364963 134742164 /nfs/dbraw/zinc/74/21/64/134742164.db2.gz VSLWWRIUQVFVFZ-MNOVXSKESA-N 1 2 249.310 1.704 20 0 BDADLO CCOC(=O)CCNc1cc[nH+]c(C)n1 ZINC000054935329 134772978 /nfs/dbraw/zinc/77/29/78/134772978.db2.gz ZKBJXMUJHIEDLI-UHFFFAOYSA-N 1 2 209.249 1.150 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000138982288 134787785 /nfs/dbraw/zinc/78/77/85/134787785.db2.gz VFYJYPYTFBRJII-VIFPVBQESA-N 1 2 233.319 1.611 20 0 BDADLO CCCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650708 135003904 /nfs/dbraw/zinc/00/39/04/135003904.db2.gz GORHMCWWRCIJQQ-UHFFFAOYSA-N 1 2 209.293 1.948 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000248550204 135003961 /nfs/dbraw/zinc/00/39/61/135003961.db2.gz KGXXZTOLPCNNCY-ZJUUUORDSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000248550204 135003964 /nfs/dbraw/zinc/00/39/64/135003964.db2.gz KGXXZTOLPCNNCY-ZJUUUORDSA-N 1 2 239.319 1.836 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CC(=O)OC ZINC000070649977 135004416 /nfs/dbraw/zinc/00/44/16/135004416.db2.gz QQQZJPQIMHHEJZ-UHFFFAOYSA-N 1 2 213.199 1.434 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CC(=O)OC ZINC000070649977 135004417 /nfs/dbraw/zinc/00/44/17/135004417.db2.gz QQQZJPQIMHHEJZ-UHFFFAOYSA-N 1 2 213.199 1.434 20 0 BDADLO CCC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248400701 135006011 /nfs/dbraw/zinc/00/60/11/135006011.db2.gz XZDNMLVTVAAUBX-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000248400701 135006013 /nfs/dbraw/zinc/00/60/13/135006013.db2.gz XZDNMLVTVAAUBX-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)no1 ZINC000248481773 135014454 /nfs/dbraw/zinc/01/44/54/135014454.db2.gz IIRMSPACJKKDAM-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)no1 ZINC000248481773 135014455 /nfs/dbraw/zinc/01/44/55/135014455.db2.gz IIRMSPACJKKDAM-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248602186 135015897 /nfs/dbraw/zinc/01/58/97/135015897.db2.gz DDYTVFXIJMVAKC-VHSXEESVSA-N 1 2 207.277 1.258 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@@H](C)C1 ZINC000248602186 135015899 /nfs/dbraw/zinc/01/58/99/135015899.db2.gz DDYTVFXIJMVAKC-VHSXEESVSA-N 1 2 207.277 1.258 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000248617150 135016707 /nfs/dbraw/zinc/01/67/07/135016707.db2.gz XGGUSBVNQHFGKR-IUCAKERBSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000248617150 135016709 /nfs/dbraw/zinc/01/67/09/135016709.db2.gz XGGUSBVNQHFGKR-IUCAKERBSA-N 1 2 225.292 1.446 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@H]1O ZINC000249142328 135035304 /nfs/dbraw/zinc/03/53/04/135035304.db2.gz RGWLTMXSOKWYIL-VHSXEESVSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@H]1O ZINC000249142328 135035305 /nfs/dbraw/zinc/03/53/05/135035305.db2.gz RGWLTMXSOKWYIL-VHSXEESVSA-N 1 2 229.320 1.031 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249359392 135037288 /nfs/dbraw/zinc/03/72/88/135037288.db2.gz ZRKQKZYYXNEREU-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249359392 135037290 /nfs/dbraw/zinc/03/72/90/135037290.db2.gz ZRKQKZYYXNEREU-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249321063 135042675 /nfs/dbraw/zinc/04/26/75/135042675.db2.gz LHJLDTGOBIVHOT-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249321063 135042677 /nfs/dbraw/zinc/04/26/77/135042677.db2.gz LHJLDTGOBIVHOT-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO O=C1CCCN1C1CC[NH+](Cc2ccon2)CC1 ZINC000077282841 135060354 /nfs/dbraw/zinc/06/03/54/135060354.db2.gz NXLYYBIPFHCIAH-UHFFFAOYSA-N 1 2 249.314 1.261 20 0 BDADLO COc1csc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000086549283 135088428 /nfs/dbraw/zinc/08/84/28/135088428.db2.gz HLKZKEFFFKHPOR-UHFFFAOYSA-N 1 2 237.284 1.410 20 0 BDADLO COc1csc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000086549283 135088429 /nfs/dbraw/zinc/08/84/29/135088429.db2.gz HLKZKEFFFKHPOR-UHFFFAOYSA-N 1 2 237.284 1.410 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)[C@H]1OC ZINC000252787469 135109704 /nfs/dbraw/zinc/10/97/04/135109704.db2.gz QLXLZEQVAFAFTP-QJPTWQEYSA-N 1 2 239.319 1.000 20 0 BDADLO Cc1cc(NC(=O)c2nccnc2N)cc[nH+]1 ZINC000078399375 135123181 /nfs/dbraw/zinc/12/31/81/135123181.db2.gz VEWIFSSOMUXZPB-UHFFFAOYSA-N 1 2 229.243 1.015 20 0 BDADLO Cc1sc([C@@H]2COCC[NH2+]2)nc1C1CC1 ZINC000258358926 135132120 /nfs/dbraw/zinc/13/21/20/135132120.db2.gz XATKJMNDHBGGQS-VIFPVBQESA-N 1 2 224.329 1.990 20 0 BDADLO CC1(C)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000264897807 135140767 /nfs/dbraw/zinc/14/07/67/135140767.db2.gz IQEBBEIWSBEFMP-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)CC(C)(C)O ZINC000078777981 135151040 /nfs/dbraw/zinc/15/10/40/135151040.db2.gz STJKUENSJCIAGR-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)CC(C)(C)O ZINC000078777981 135151042 /nfs/dbraw/zinc/15/10/42/135151042.db2.gz STJKUENSJCIAGR-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCCS1 ZINC000087681513 135164601 /nfs/dbraw/zinc/16/46/01/135164601.db2.gz JWYOUEKZFIYYEJ-VIFPVBQESA-N 1 2 225.317 1.312 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCCS1 ZINC000087681513 135164602 /nfs/dbraw/zinc/16/46/02/135164602.db2.gz JWYOUEKZFIYYEJ-VIFPVBQESA-N 1 2 225.317 1.312 20 0 BDADLO Cc1cncc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000084081797 135182148 /nfs/dbraw/zinc/18/21/48/135182148.db2.gz NTJHYJMPXOXPDX-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1cncc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000084081797 135182150 /nfs/dbraw/zinc/18/21/50/135182150.db2.gz NTJHYJMPXOXPDX-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261549672 135188214 /nfs/dbraw/zinc/18/82/14/135188214.db2.gz OYUUWYIWMWDKSW-SSDOTTSWSA-N 1 2 220.263 1.146 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000261577840 135219178 /nfs/dbraw/zinc/21/91/78/135219178.db2.gz LLGXLLSQWMMWCM-JTQLQIEISA-N 1 2 241.360 1.582 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000261577840 135219179 /nfs/dbraw/zinc/21/91/79/135219179.db2.gz LLGXLLSQWMMWCM-JTQLQIEISA-N 1 2 241.360 1.582 20 0 BDADLO C[C@H]1CSC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000342319689 135263997 /nfs/dbraw/zinc/26/39/97/135263997.db2.gz NMJIMSNAFJSVBD-UWVGGRQHSA-N 1 2 239.344 1.141 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000262352526 135294295 /nfs/dbraw/zinc/29/42/95/135294295.db2.gz GHRBUKROMYAKBV-QWRGUYRKSA-N 1 2 249.314 1.289 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000262352526 135294296 /nfs/dbraw/zinc/29/42/96/135294296.db2.gz GHRBUKROMYAKBV-QWRGUYRKSA-N 1 2 249.314 1.289 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262403162 135295450 /nfs/dbraw/zinc/29/54/50/135295450.db2.gz ZYWNRSKAWPHCPX-VGMNWLOBSA-N 1 2 232.274 1.288 20 0 BDADLO CCc1nnc(C[N@H+](C)CC[C@H]2CCCO2)[nH]1 ZINC000342600373 135301581 /nfs/dbraw/zinc/30/15/81/135301581.db2.gz ULVUKHDKZHSUQE-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC[C@H]2CCCO2)[nH]1 ZINC000342600373 135301583 /nfs/dbraw/zinc/30/15/83/135301583.db2.gz ULVUKHDKZHSUQE-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2cnccn2)n1C ZINC000342782248 135317111 /nfs/dbraw/zinc/31/71/11/135317111.db2.gz ONERSXQHTAOEGN-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)O[C@@H](C)C2)n1C ZINC000342784690 135318179 /nfs/dbraw/zinc/31/81/79/135318179.db2.gz VMCHEBJLTHSVHU-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN2CCOC[C@@H]2C2CC2)n1C ZINC000342789817 135318674 /nfs/dbraw/zinc/31/86/74/135318674.db2.gz YGCXRKPMFUOJFK-GFCCVEGCSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)n1C ZINC000342795882 135319557 /nfs/dbraw/zinc/31/95/57/135319557.db2.gz DHSSXERNOBPPKO-SRVKXCTJSA-N 1 2 237.347 1.726 20 0 BDADLO CC(C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000334166281 135323404 /nfs/dbraw/zinc/32/34/04/135323404.db2.gz AIBKVWJCTIEZPK-GFCCVEGCSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000334166281 135323405 /nfs/dbraw/zinc/32/34/05/135323405.db2.gz AIBKVWJCTIEZPK-GFCCVEGCSA-N 1 2 240.347 1.154 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334165866 135323637 /nfs/dbraw/zinc/32/36/37/135323637.db2.gz AGDLIKLDTOAMBG-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262963205 135324909 /nfs/dbraw/zinc/32/49/09/135324909.db2.gz KXTQLZPNPINFAW-VIFPVBQESA-N 1 2 234.290 1.488 20 0 BDADLO CCC[C@@H](NCc1[nH+]cc(C)n1C)C(=O)OC ZINC000342774805 135327321 /nfs/dbraw/zinc/32/73/21/135327321.db2.gz HYCFUWGLJBAGSL-SNVBAGLBSA-N 1 2 239.319 1.160 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CCC1 ZINC000079562510 135330823 /nfs/dbraw/zinc/33/08/23/135330823.db2.gz YRTAWTJXBGOLTG-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263097230 135332895 /nfs/dbraw/zinc/33/28/95/135332895.db2.gz ZAALNROYSTYHQK-OPRDCNLKSA-N 1 2 246.301 1.488 20 0 BDADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)C[C@H]2C[C@H]2C1 ZINC000334297457 135335195 /nfs/dbraw/zinc/33/51/95/135335195.db2.gz AMOJMPLIHWPYBE-GDGBQDQQSA-N 1 2 219.288 1.462 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263309655 135346079 /nfs/dbraw/zinc/34/60/79/135346079.db2.gz YJUWZGGWEZQILC-ZJUUUORDSA-N 1 2 246.301 1.488 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cccc(O)c2)c[nH+]1 ZINC000334339985 135357479 /nfs/dbraw/zinc/35/74/79/135357479.db2.gz MRCGYCGPQJXXGA-QMMMGPOBSA-N 1 2 245.282 1.915 20 0 BDADLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000343136716 135359842 /nfs/dbraw/zinc/35/98/42/135359842.db2.gz LURDPKPVHKTJJN-ZYHUDNBSSA-N 1 2 249.314 1.005 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC(F)C1 ZINC000334363507 135373521 /nfs/dbraw/zinc/37/35/21/135373521.db2.gz LNQOTRNKWIRWGY-UHFFFAOYSA-N 1 2 248.261 1.198 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000334366901 135374049 /nfs/dbraw/zinc/37/40/49/135374049.db2.gz JSHMNYSDWZLCGK-JTQLQIEISA-N 1 2 235.331 1.782 20 0 BDADLO Cc1cc[nH+]c(N[C@H](C)CO)c1Cl ZINC000306752000 135377989 /nfs/dbraw/zinc/37/79/89/135377989.db2.gz IFVJMRGGLBGRDE-SSDOTTSWSA-N 1 2 200.669 1.836 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cnn3ccccc23)n1 ZINC000080584903 135379671 /nfs/dbraw/zinc/37/96/71/135379671.db2.gz SZONNXIACUZQHT-UHFFFAOYSA-N 1 2 227.271 1.347 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCO[C@@H]2C)c[nH+]1 ZINC000334397414 135388729 /nfs/dbraw/zinc/38/87/29/135388729.db2.gz CHZTTZHRRWRZOH-HQJQHLMTSA-N 1 2 223.276 1.015 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH+]ccn2C)c1C ZINC000334832735 135817055 /nfs/dbraw/zinc/81/70/55/135817055.db2.gz HOKHMTYTKIDGEC-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO C[N@@H+](Cc1ccn(C(F)F)n1)C[C@@H]1CCCO1 ZINC000347710712 136002521 /nfs/dbraw/zinc/00/25/21/136002521.db2.gz WXOMCUPVXIKSND-JTQLQIEISA-N 1 2 245.273 1.889 20 0 BDADLO C[N@H+](Cc1ccn(C(F)F)n1)C[C@@H]1CCCO1 ZINC000347710712 136002522 /nfs/dbraw/zinc/00/25/22/136002522.db2.gz WXOMCUPVXIKSND-JTQLQIEISA-N 1 2 245.273 1.889 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000347696068 136006252 /nfs/dbraw/zinc/00/62/52/136006252.db2.gz ZKURNFRGXQCASQ-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000347696068 136006253 /nfs/dbraw/zinc/00/62/53/136006253.db2.gz ZKURNFRGXQCASQ-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1ccc[nH]1 ZINC000347882909 136015007 /nfs/dbraw/zinc/01/50/07/136015007.db2.gz PSHJJVKWPDARAU-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1ccc[nH]1 ZINC000347882909 136015008 /nfs/dbraw/zinc/01/50/08/136015008.db2.gz PSHJJVKWPDARAU-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NC[C@H]2C[C@H]2C)[nH+]1 ZINC000347871062 136017052 /nfs/dbraw/zinc/01/70/52/136017052.db2.gz UQGZXYLZYPJCPI-NXEZZACHSA-N 1 2 249.362 1.551 20 0 BDADLO CC(C)c1nc(NC[C@H]2C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000347871062 136017053 /nfs/dbraw/zinc/01/70/53/136017053.db2.gz UQGZXYLZYPJCPI-NXEZZACHSA-N 1 2 249.362 1.551 20 0 BDADLO CC[C@H](NC(=O)CCOC(C)C)c1[nH]cc[nH+]1 ZINC000347942840 136019284 /nfs/dbraw/zinc/01/92/84/136019284.db2.gz CJOAAFGJAUDBEN-JTQLQIEISA-N 1 2 239.319 1.792 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)C(F)F ZINC000348000694 136020364 /nfs/dbraw/zinc/02/03/64/136020364.db2.gz SVPBSXPKFBCWIH-UHFFFAOYSA-N 1 2 245.273 1.670 20 0 BDADLO CC(C)C1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335309184 136028334 /nfs/dbraw/zinc/02/83/34/136028334.db2.gz MFGVRHANZXQKBK-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2nc(C)no2)ccn1 ZINC000348110441 136037428 /nfs/dbraw/zinc/03/74/28/136037428.db2.gz NANZFEXQFVNLGK-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000335325236 136051174 /nfs/dbraw/zinc/05/11/74/136051174.db2.gz YQDBYJHBYBZYNQ-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000335325236 136051175 /nfs/dbraw/zinc/05/11/75/136051175.db2.gz YQDBYJHBYBZYNQ-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000335324490 136051182 /nfs/dbraw/zinc/05/11/82/136051182.db2.gz VGVZONUZVUAHQE-GWCFXTLKSA-N 1 2 232.283 1.177 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)n1 ZINC000335325717 136051833 /nfs/dbraw/zinc/05/18/33/136051833.db2.gz HDYSCMHDMGEIRL-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@H](C)C2)n1 ZINC000335325717 136051834 /nfs/dbraw/zinc/05/18/34/136051834.db2.gz HDYSCMHDMGEIRL-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(C2CCCC2)C1 ZINC000335331067 136053791 /nfs/dbraw/zinc/05/37/91/136053791.db2.gz UMPQNUXBYOCOSG-UHFFFAOYSA-N 1 2 233.315 1.532 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@](C)(OC)C2)[nH]1 ZINC000348242555 136056135 /nfs/dbraw/zinc/05/61/35/136056135.db2.gz RSIDPRGJTVCGKS-GFCCVEGCSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@](C)(OC)C2)[nH]1 ZINC000348242555 136056136 /nfs/dbraw/zinc/05/61/36/136056136.db2.gz RSIDPRGJTVCGKS-GFCCVEGCSA-N 1 2 238.335 1.368 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1occc1C ZINC000348241991 136056361 /nfs/dbraw/zinc/05/63/61/136056361.db2.gz QMMOYFGTKWVFSY-UHFFFAOYSA-N 1 2 246.266 1.922 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ocnc1C ZINC000348309813 136066808 /nfs/dbraw/zinc/06/68/08/136066808.db2.gz BLGIKBJLGFDILB-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccnn2C)nc1 ZINC000348372921 136073486 /nfs/dbraw/zinc/07/34/86/136073486.db2.gz PENLEGIZVFEILF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccnn2C)nc1 ZINC000348372921 136073487 /nfs/dbraw/zinc/07/34/87/136073487.db2.gz PENLEGIZVFEILF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335372153 136083911 /nfs/dbraw/zinc/08/39/11/136083911.db2.gz SPTZICMVQVWUHV-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335372153 136083912 /nfs/dbraw/zinc/08/39/12/136083912.db2.gz SPTZICMVQVWUHV-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335372153 136083913 /nfs/dbraw/zinc/08/39/13/136083913.db2.gz SPTZICMVQVWUHV-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335372153 136083914 /nfs/dbraw/zinc/08/39/14/136083914.db2.gz SPTZICMVQVWUHV-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000335379607 136087134 /nfs/dbraw/zinc/08/71/34/136087134.db2.gz RKUPKWOKJLVBGR-UWVGGRQHSA-N 1 2 219.288 1.827 20 0 BDADLO C[C@@H]1CC2(CCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000335386331 136089056 /nfs/dbraw/zinc/08/90/56/136089056.db2.gz NZRLFJFCYREVRL-LLVKDONJSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1cnc(C[NH+]2CC(C)(C(N)=O)C2)s1 ZINC000335393863 136091771 /nfs/dbraw/zinc/09/17/71/136091771.db2.gz DDBVZPKUJZGPKA-UHFFFAOYSA-N 1 2 225.317 1.809 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2nccs2)C1 ZINC000335395390 136091952 /nfs/dbraw/zinc/09/19/52/136091952.db2.gz LJRZIZLSVRLSFN-UHFFFAOYSA-N 1 2 211.290 1.500 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](F)C2)[nH+]1 ZINC000335397899 136092860 /nfs/dbraw/zinc/09/28/60/136092860.db2.gz GJWNANKXCXCABJ-MRVPVSSYSA-N 1 2 220.251 1.815 20 0 BDADLO CC1(CC(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000348537968 136095555 /nfs/dbraw/zinc/09/55/55/136095555.db2.gz ZNZZTSZQMVHXHB-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335558062 136100038 /nfs/dbraw/zinc/10/00/38/136100038.db2.gz KDCOHRPDPYMKDP-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CC12CC2 ZINC000335563071 136106562 /nfs/dbraw/zinc/10/65/62/136106562.db2.gz RFIRGQDIHHHBLV-NSHDSACASA-N 1 2 241.294 1.751 20 0 BDADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H]1CC1(C)C ZINC000335564408 136107206 /nfs/dbraw/zinc/10/72/06/136107206.db2.gz SUEYTVHATOESMG-SFYZADRCSA-N 1 2 232.274 1.241 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cnns2)[C@@H]1C ZINC000335570613 136109585 /nfs/dbraw/zinc/10/95/85/136109585.db2.gz UOSQCVGLGKBBQR-HTQZYQBOSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cnns2)[C@@H]1C ZINC000335570613 136109586 /nfs/dbraw/zinc/10/95/86/136109586.db2.gz UOSQCVGLGKBBQR-HTQZYQBOSA-N 1 2 229.374 1.864 20 0 BDADLO CC(=O)c1ccn(Cc2c[nH+]ccc2C)n1 ZINC000335599241 136114084 /nfs/dbraw/zinc/11/40/84/136114084.db2.gz QWMXRQWTOZZZTF-UHFFFAOYSA-N 1 2 215.256 1.837 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000348635959 136114212 /nfs/dbraw/zinc/11/42/12/136114212.db2.gz PGAQYROPXBRADP-LLVKDONJSA-N 1 2 246.314 1.647 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=CCCC1 ZINC000348634999 136114294 /nfs/dbraw/zinc/11/42/94/136114294.db2.gz KVRMLBQECSLAIP-JTQLQIEISA-N 1 2 219.288 1.498 20 0 BDADLO Cc1ocnc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154997061 397745621 /nfs/dbraw/zinc/74/56/21/397745621.db2.gz ZCMRFWQRNJVLQC-UHFFFAOYSA-N 1 2 248.286 1.342 20 0 BDADLO CC[N@H+](CCCO)CC(=O)c1ccccc1F ZINC000165248839 397745802 /nfs/dbraw/zinc/74/58/02/397745802.db2.gz LXHAFVFRCUZELC-UHFFFAOYSA-N 1 2 239.290 1.713 20 0 BDADLO CC[N@@H+](CCCO)CC(=O)c1ccccc1F ZINC000165248839 397745804 /nfs/dbraw/zinc/74/58/04/397745804.db2.gz LXHAFVFRCUZELC-UHFFFAOYSA-N 1 2 239.290 1.713 20 0 BDADLO CC(C)(C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000448694522 397936178 /nfs/dbraw/zinc/93/61/78/397936178.db2.gz NKKSJSXBECIBKP-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO c1[nH+]cn2c1CN(c1nnc(C3CC3)s1)CC2 ZINC000357570615 397938587 /nfs/dbraw/zinc/93/85/87/397938587.db2.gz QJSNJPVJHFTQAL-UHFFFAOYSA-N 1 2 247.327 1.632 20 0 BDADLO CCN(CCSC)c1cc[nH+]c(C)n1 ZINC000592001238 397938910 /nfs/dbraw/zinc/93/89/10/397938910.db2.gz SUVSFTDLESKICF-UHFFFAOYSA-N 1 2 211.334 1.974 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592139822 397945876 /nfs/dbraw/zinc/94/58/76/397945876.db2.gz IYKJSGSEFTTYCH-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592139822 397945878 /nfs/dbraw/zinc/94/58/78/397945878.db2.gz IYKJSGSEFTTYCH-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ccncc1F ZINC000449020139 397950411 /nfs/dbraw/zinc/95/04/11/397950411.db2.gz YIWKQCYIWYCXPV-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ccncc1F ZINC000449020139 397950415 /nfs/dbraw/zinc/95/04/15/397950415.db2.gz YIWKQCYIWYCXPV-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649578619 397967426 /nfs/dbraw/zinc/96/74/26/397967426.db2.gz XPNWVIGPBHNXFF-CQSZACIVSA-N 1 2 249.358 1.686 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649578619 397967430 /nfs/dbraw/zinc/96/74/30/397967430.db2.gz XPNWVIGPBHNXFF-CQSZACIVSA-N 1 2 249.358 1.686 20 0 BDADLO COCC1([N@H+](C)Cc2snnc2C)CC1 ZINC000649570585 397960887 /nfs/dbraw/zinc/96/08/87/397960887.db2.gz HJFKPYIVTFHCJJ-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COCC1([N@@H+](C)Cc2snnc2C)CC1 ZINC000649570585 397960888 /nfs/dbraw/zinc/96/08/88/397960888.db2.gz HJFKPYIVTFHCJJ-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264304759 397919552 /nfs/dbraw/zinc/91/95/52/397919552.db2.gz WSIINTJMMUIUEG-LLVKDONJSA-N 1 2 237.274 1.788 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264304759 397919555 /nfs/dbraw/zinc/91/95/55/397919555.db2.gz WSIINTJMMUIUEG-LLVKDONJSA-N 1 2 237.274 1.788 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCOCC23CC3)n1 ZINC000649601946 397990186 /nfs/dbraw/zinc/99/01/86/397990186.db2.gz JHQGDHQQUREGCJ-UHFFFAOYSA-N 1 2 233.315 1.192 20 0 BDADLO Cc1cncc(CC[N@H+]2CCOCC23CC3)n1 ZINC000649601946 397990188 /nfs/dbraw/zinc/99/01/88/397990188.db2.gz JHQGDHQQUREGCJ-UHFFFAOYSA-N 1 2 233.315 1.192 20 0 BDADLO Cc1cncc(CC[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC000649618298 398001607 /nfs/dbraw/zinc/00/16/07/398001607.db2.gz STQIZGNJKVEAJU-BETUJISGSA-N 1 2 248.374 1.352 20 0 BDADLO Cc1cncc(CC[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC000649618298 398001610 /nfs/dbraw/zinc/00/16/10/398001610.db2.gz STQIZGNJKVEAJU-BETUJISGSA-N 1 2 248.374 1.352 20 0 BDADLO COCc1cc[nH+]c(NCc2cnn(C)c2)c1 ZINC000650244494 398005333 /nfs/dbraw/zinc/00/53/33/398005333.db2.gz BDJMIBVQXFUAKL-UHFFFAOYSA-N 1 2 232.287 1.574 20 0 BDADLO CON1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000643198944 398009848 /nfs/dbraw/zinc/00/98/48/398009848.db2.gz NKKPVKKZAWHPIP-UHFFFAOYSA-N 1 2 222.292 1.223 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC23CCC3)no1 ZINC000373099571 398012936 /nfs/dbraw/zinc/01/29/36/398012936.db2.gz NMAYHJBSZWFRDZ-UHFFFAOYSA-N 1 2 237.303 1.735 20 0 BDADLO COCc1nc(C[N@H+]2CCCC23CCC3)no1 ZINC000373099571 398012941 /nfs/dbraw/zinc/01/29/41/398012941.db2.gz NMAYHJBSZWFRDZ-UHFFFAOYSA-N 1 2 237.303 1.735 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC000365082671 398021456 /nfs/dbraw/zinc/02/14/56/398021456.db2.gz NTSLJADINBBVSR-DVVUODLYSA-N 1 2 233.315 1.279 20 0 BDADLO CN(CC1(CO)CC1)c1[nH+]c2ccccc2n1C ZINC000275487572 398021994 /nfs/dbraw/zinc/02/19/94/398021994.db2.gz QRVGWSKBNALGIT-UHFFFAOYSA-N 1 2 245.326 1.782 20 0 BDADLO CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649658884 398028421 /nfs/dbraw/zinc/02/84/21/398028421.db2.gz BFOXNSUDPSRHQR-JTQLQIEISA-N 1 2 209.293 1.703 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000140646030 398028798 /nfs/dbraw/zinc/02/87/98/398028798.db2.gz BOAXLTSVKRXKNF-NXEZZACHSA-N 1 2 237.303 1.546 20 0 BDADLO OC1(C2CC[NH+](Cc3ncccn3)CC2)CC1 ZINC000649670517 398032163 /nfs/dbraw/zinc/03/21/63/398032163.db2.gz OUQNQWUEAVFWKJ-UHFFFAOYSA-N 1 2 233.315 1.214 20 0 BDADLO Cc1cnc(NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC000278606534 398040657 /nfs/dbraw/zinc/04/06/57/398040657.db2.gz LMUALFJCKVDLGL-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO FC1(F)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000649693448 398041384 /nfs/dbraw/zinc/04/13/84/398041384.db2.gz DOAZYFWDTUGMHQ-UHFFFAOYSA-N 1 2 201.220 1.641 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC2(CCC2)CC1 ZINC000649595154 397983754 /nfs/dbraw/zinc/98/37/54/397983754.db2.gz VBDDTMRPLWVIHX-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccn2C)[C@@H](CC)CO1 ZINC000649717394 398063518 /nfs/dbraw/zinc/06/35/18/398063518.db2.gz DQKGYUKXXSVKRZ-NWDGAFQWSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccn2C)[C@@H](CC)CO1 ZINC000649717394 398063520 /nfs/dbraw/zinc/06/35/20/398063520.db2.gz DQKGYUKXXSVKRZ-NWDGAFQWSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](CC)CO1 ZINC000649717394 398063523 /nfs/dbraw/zinc/06/35/23/398063523.db2.gz DQKGYUKXXSVKRZ-NWDGAFQWSA-N 1 2 237.347 1.810 20 0 BDADLO CCN(CC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000353472007 398070290 /nfs/dbraw/zinc/07/02/90/398070290.db2.gz AAFXQGOONNZAJW-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N2CCCC2)[C@H](C)CO1 ZINC000649732287 398072153 /nfs/dbraw/zinc/07/21/53/398072153.db2.gz VLMWTYIUJXSKDE-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N2CCCC2)[C@H](C)CO1 ZINC000649732287 398072156 /nfs/dbraw/zinc/07/21/56/398072156.db2.gz VLMWTYIUJXSKDE-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@H](C)CO1 ZINC000649736483 398078100 /nfs/dbraw/zinc/07/81/00/398078100.db2.gz BMYAYPCQQWLTLI-RISCZKNCSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@H](C)CO1 ZINC000649736483 398078102 /nfs/dbraw/zinc/07/81/02/398078102.db2.gz BMYAYPCQQWLTLI-RISCZKNCSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2snnc2C)[C@@H](C)CO1 ZINC000649736892 398079146 /nfs/dbraw/zinc/07/91/46/398079146.db2.gz LXJCLJNFMSSAMD-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2snnc2C)[C@@H](C)CO1 ZINC000649736892 398079149 /nfs/dbraw/zinc/07/91/49/398079149.db2.gz LXJCLJNFMSSAMD-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CC[N@H+](Cc1cnns1)[C@H]1CCCOC1 ZINC000649755472 398086294 /nfs/dbraw/zinc/08/62/94/398086294.db2.gz OPIGOYNIWLPPCJ-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@@H+](Cc1cnns1)[C@H]1CCCOC1 ZINC000649755472 398086301 /nfs/dbraw/zinc/08/63/01/398086301.db2.gz OPIGOYNIWLPPCJ-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO O=C(c1ccsc1)N1CCn2c[nH+]cc2C1 ZINC000290987049 398087918 /nfs/dbraw/zinc/08/79/18/398087918.db2.gz WOSNHMAHSLTTOY-UHFFFAOYSA-N 1 2 233.296 1.601 20 0 BDADLO c1nc(CN2CCn3c[nH+]cc3C2)cs1 ZINC000291581940 398096581 /nfs/dbraw/zinc/09/65/81/398096581.db2.gz OYXDXLPOOQZQET-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000291121700 398089644 /nfs/dbraw/zinc/08/96/44/398089644.db2.gz AXMLYGJLNWJIAQ-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000291121700 398089651 /nfs/dbraw/zinc/08/96/51/398089651.db2.gz AXMLYGJLNWJIAQ-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3cscn3)C2)c1 ZINC000291206687 398090675 /nfs/dbraw/zinc/09/06/75/398090675.db2.gz IASPCVIBLVHMNZ-NSHDSACASA-N 1 2 234.328 1.787 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3cscn3)C2)c1 ZINC000291206687 398090679 /nfs/dbraw/zinc/09/06/79/398090679.db2.gz IASPCVIBLVHMNZ-NSHDSACASA-N 1 2 234.328 1.787 20 0 BDADLO Cc1ccc(NC(=O)CC(C)(C)O)c(C)[nH+]1 ZINC000280196368 398054503 /nfs/dbraw/zinc/05/45/03/398054503.db2.gz DTAAWDIPLXJBRF-UHFFFAOYSA-N 1 2 222.288 1.798 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000556941005 398056115 /nfs/dbraw/zinc/05/61/15/398056115.db2.gz OXGKCCYYJAIIAT-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000556941005 398056118 /nfs/dbraw/zinc/05/61/18/398056118.db2.gz OXGKCCYYJAIIAT-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC000649714916 398056406 /nfs/dbraw/zinc/05/64/06/398056406.db2.gz OZLDPPQBKBOYEO-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC000649714916 398056408 /nfs/dbraw/zinc/05/64/08/398056408.db2.gz OZLDPPQBKBOYEO-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ncccn1 ZINC000649718001 398058952 /nfs/dbraw/zinc/05/89/52/398058952.db2.gz QBIYZHWXVFVTLC-NEPJUHHUSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ncccn1 ZINC000649718001 398058954 /nfs/dbraw/zinc/05/89/54/398058954.db2.gz QBIYZHWXVFVTLC-NEPJUHHUSA-N 1 2 235.331 1.866 20 0 BDADLO C[C@@H](CC(=O)NCCC1CC1)n1cc[nH+]c1 ZINC000649777698 398098853 /nfs/dbraw/zinc/09/88/53/398098853.db2.gz YQOKTARLCVPNFF-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO CCCc1noc(C[N@@H+]2CCCOCC2)n1 ZINC000363437345 398100274 /nfs/dbraw/zinc/10/02/74/398100274.db2.gz XGAPKMVDOWOJMB-UHFFFAOYSA-N 1 2 225.292 1.244 20 0 BDADLO CCCc1noc(C[N@H+]2CCCOCC2)n1 ZINC000363437345 398100277 /nfs/dbraw/zinc/10/02/77/398100277.db2.gz XGAPKMVDOWOJMB-UHFFFAOYSA-N 1 2 225.292 1.244 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCCC1CC1 ZINC000643242066 398101541 /nfs/dbraw/zinc/10/15/41/398101541.db2.gz BAWUPZLYKMSRJH-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000159397375 398102423 /nfs/dbraw/zinc/10/24/23/398102423.db2.gz JOLZONCDMYMVNR-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000159397375 398102425 /nfs/dbraw/zinc/10/24/25/398102425.db2.gz JOLZONCDMYMVNR-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO Nc1ccc(NC(=O)CC[C@H]2CCCCO2)c[nH+]1 ZINC000069399030 398106484 /nfs/dbraw/zinc/10/64/84/398106484.db2.gz UXOISFQHQYPQJG-LLVKDONJSA-N 1 2 249.314 1.952 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)C2(CCC2)CO1 ZINC000649822915 398124184 /nfs/dbraw/zinc/12/41/84/398124184.db2.gz SQTQISWIJSLGJZ-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)C2(CCC2)CO1 ZINC000649822915 398124187 /nfs/dbraw/zinc/12/41/87/398124187.db2.gz SQTQISWIJSLGJZ-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)C2(CCC2)CO1 ZINC000649823697 398126167 /nfs/dbraw/zinc/12/61/67/398126167.db2.gz LJRRTKRIDVRNDG-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)C2(CCC2)CO1 ZINC000649823697 398126170 /nfs/dbraw/zinc/12/61/70/398126170.db2.gz LJRRTKRIDVRNDG-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C2(CCC2)CO1 ZINC000649823697 398126174 /nfs/dbraw/zinc/12/61/74/398126174.db2.gz LJRRTKRIDVRNDG-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO COc1nccnc1C[NH2+][C@H](C)c1ccccn1 ZINC000294340134 398126268 /nfs/dbraw/zinc/12/62/68/398126268.db2.gz YJLIOGZKAOMKFG-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649211433 398129363 /nfs/dbraw/zinc/12/93/63/398129363.db2.gz KVHCGWPUPWNSJJ-RYUDHWBXSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OCC23CCC3)ncn1 ZINC000649821391 398122230 /nfs/dbraw/zinc/12/22/30/398122230.db2.gz GHBYNZQMUOVMJU-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)ncn1 ZINC000649821391 398122234 /nfs/dbraw/zinc/12/22/34/398122234.db2.gz GHBYNZQMUOVMJU-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000530571101 322876813 /nfs/dbraw/zinc/87/68/13/322876813.db2.gz KNIONMHQHZAFNW-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@H](C(F)(F)F)C1 ZINC000674370783 487563752 /nfs/dbraw/zinc/56/37/52/487563752.db2.gz BOQROLADSHFJEN-VIFPVBQESA-N 1 2 249.236 1.183 20 0 BDADLO Cn1ccnc1C[NH+]1CC(C2CCOCC2)C1 ZINC000669715153 487566455 /nfs/dbraw/zinc/56/64/55/487566455.db2.gz MWGFOINGSYVGRT-UHFFFAOYSA-N 1 2 235.331 1.279 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000527005028 487566883 /nfs/dbraw/zinc/56/68/83/487566883.db2.gz UQHMROHQQIWETQ-TUAOUCFPSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000527005028 487566888 /nfs/dbraw/zinc/56/68/88/487566888.db2.gz UQHMROHQQIWETQ-TUAOUCFPSA-N 1 2 249.314 1.026 20 0 BDADLO CCc1cc(CNC(=O)CCc2c[nH+]c[nH]2)on1 ZINC000527247635 487571292 /nfs/dbraw/zinc/57/12/92/487571292.db2.gz LPRCWDKPMFRTAW-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCc1cc(CNC(=O)CCc2c[nH]c[nH+]2)on1 ZINC000527247635 487571296 /nfs/dbraw/zinc/57/12/96/487571296.db2.gz LPRCWDKPMFRTAW-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@@H]1C ZINC000674412185 487571658 /nfs/dbraw/zinc/57/16/58/487571658.db2.gz WDQRQJZCGHZSAB-QWRGUYRKSA-N 1 2 243.314 1.755 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](CC(F)F)C[C@H]1O ZINC000680387562 487581449 /nfs/dbraw/zinc/58/14/49/487581449.db2.gz XEVHMZFLZJSIAQ-RKDXNWHRSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](CC(F)F)C[C@H]1O ZINC000680387562 487581451 /nfs/dbraw/zinc/58/14/51/487581451.db2.gz XEVHMZFLZJSIAQ-RKDXNWHRSA-N 1 2 221.291 1.980 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000674467635 487583580 /nfs/dbraw/zinc/58/35/80/487583580.db2.gz FWGHBWLZTCVEEU-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000674467635 487583583 /nfs/dbraw/zinc/58/35/83/487583583.db2.gz FWGHBWLZTCVEEU-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000336735632 167260185 /nfs/dbraw/zinc/26/01/85/167260185.db2.gz IFSGKUMSZLKVCA-NXEZZACHSA-N 1 2 226.324 1.279 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)N2CCCC2)on1 ZINC000053424501 487597512 /nfs/dbraw/zinc/59/75/12/487597512.db2.gz VMKBGIWZEQFKQM-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)N2CCCC2)on1 ZINC000053424501 487597515 /nfs/dbraw/zinc/59/75/15/487597515.db2.gz VMKBGIWZEQFKQM-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H](C(C)C)C1CC1 ZINC000324397992 487600844 /nfs/dbraw/zinc/60/08/44/487600844.db2.gz NWXNGKDMMQCQFJ-SECBINFHSA-N 1 2 236.319 1.914 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H](C(C)C)C1CC1 ZINC000324397992 487600848 /nfs/dbraw/zinc/60/08/48/487600848.db2.gz NWXNGKDMMQCQFJ-SECBINFHSA-N 1 2 236.319 1.914 20 0 BDADLO O[C@@H]1CCCC[C@H]1[N@@H+]1CCOCC(F)(F)C1 ZINC000335136557 487601304 /nfs/dbraw/zinc/60/13/04/487601304.db2.gz MWJLEQUXSRPOSX-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CCCC[C@H]1[N@H+]1CCOCC(F)(F)C1 ZINC000335136557 487601307 /nfs/dbraw/zinc/60/13/07/487601307.db2.gz MWJLEQUXSRPOSX-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674649579 487602176 /nfs/dbraw/zinc/60/21/76/487602176.db2.gz CYQJRFVEYYWXGE-UHFFFAOYSA-N 1 2 231.299 1.346 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674649579 487602181 /nfs/dbraw/zinc/60/21/81/487602181.db2.gz CYQJRFVEYYWXGE-UHFFFAOYSA-N 1 2 231.299 1.346 20 0 BDADLO c1coc([C@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)c1 ZINC000674695199 487607380 /nfs/dbraw/zinc/60/73/80/487607380.db2.gz RFWCTBUHLVNLBW-DGCLKSJQSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)c1 ZINC000674695199 487607387 /nfs/dbraw/zinc/60/73/87/487607387.db2.gz RFWCTBUHLVNLBW-DGCLKSJQSA-N 1 2 237.299 1.832 20 0 BDADLO CC(C)SCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000338357611 167329011 /nfs/dbraw/zinc/32/90/11/167329011.db2.gz NZFFOXFBOUZKRR-UHFFFAOYSA-N 1 2 226.349 1.304 20 0 BDADLO CC(C)SCC[N@H+]1CCc2n[nH]nc2C1 ZINC000338357611 167329014 /nfs/dbraw/zinc/32/90/14/167329014.db2.gz NZFFOXFBOUZKRR-UHFFFAOYSA-N 1 2 226.349 1.304 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000526996424 487610663 /nfs/dbraw/zinc/61/06/63/487610663.db2.gz JSGCHZVGZNUSJF-NXEZZACHSA-N 1 2 249.314 1.373 20 0 BDADLO C[N@H+](CCC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660844228 409841419 /nfs/dbraw/zinc/84/14/19/409841419.db2.gz MLMKZXZZWQXQRC-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO C[N@@H+](CCC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660844228 409841426 /nfs/dbraw/zinc/84/14/26/409841426.db2.gz MLMKZXZZWQXQRC-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO CCN(C(=O)CCc1[nH]cc[nH+]1)c1cnn(C)c1 ZINC000655334836 409910865 /nfs/dbraw/zinc/91/08/65/409910865.db2.gz REJAIKAXZIEPOV-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO COC(=O)C[C@H](C)SCc1c[nH+]cn1C ZINC000085191487 409916032 /nfs/dbraw/zinc/91/60/32/409916032.db2.gz AYGWDYQVZMQRHQ-QMMMGPOBSA-N 1 2 228.317 1.605 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1ncc[nH]1 ZINC000135462569 487611551 /nfs/dbraw/zinc/61/15/51/487611551.db2.gz ZIAOFOWSJOQUSA-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000674752438 487611963 /nfs/dbraw/zinc/61/19/63/487611963.db2.gz ULAZNFYWPHXSGN-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000674752438 487611969 /nfs/dbraw/zinc/61/19/69/487611969.db2.gz ULAZNFYWPHXSGN-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661084925 410148709 /nfs/dbraw/zinc/14/87/09/410148709.db2.gz GTQQFLPHCXHBMX-VHSXEESVSA-N 1 2 238.335 1.145 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc(C2CC2)no1 ZINC000661086368 410154818 /nfs/dbraw/zinc/15/48/18/410154818.db2.gz ZKKVUXJPQIQXKA-UHFFFAOYSA-N 1 2 233.275 1.302 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc(C2CC2)no1 ZINC000661086368 410154823 /nfs/dbraw/zinc/15/48/23/410154823.db2.gz ZKKVUXJPQIQXKA-UHFFFAOYSA-N 1 2 233.275 1.302 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncnn2C)ccc1F ZINC000389337961 410175500 /nfs/dbraw/zinc/17/55/00/410175500.db2.gz ZIYYXOVTLNLBMN-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc(C(F)F)no1 ZINC000661093892 410177059 /nfs/dbraw/zinc/17/70/59/410177059.db2.gz SUQOSAJISJBDHG-UHFFFAOYSA-N 1 2 243.217 1.362 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc(C(F)F)no1 ZINC000661093892 410177069 /nfs/dbraw/zinc/17/70/69/410177069.db2.gz SUQOSAJISJBDHG-UHFFFAOYSA-N 1 2 243.217 1.362 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC12CCC2)c1[nH]cc[nH+]1 ZINC000655401773 410206429 /nfs/dbraw/zinc/20/64/29/410206429.db2.gz BWNLPUALCRZYPX-BDAKNGLRSA-N 1 2 219.288 1.777 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)n1C ZINC000655403518 410209284 /nfs/dbraw/zinc/20/92/84/410209284.db2.gz UPXSWNDXDPXHNY-SECBINFHSA-N 1 2 246.314 1.856 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171482 410319141 /nfs/dbraw/zinc/31/91/41/410319141.db2.gz OTBBKKMJESNBNS-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171482 410319147 /nfs/dbraw/zinc/31/91/47/410319147.db2.gz OTBBKKMJESNBNS-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@](C)(C2CC2)C1 ZINC000661171482 410319151 /nfs/dbraw/zinc/31/91/51/410319151.db2.gz OTBBKKMJESNBNS-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO CO[C@@H](CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000664155597 410469189 /nfs/dbraw/zinc/46/91/89/410469189.db2.gz ADIIREOBMLJBDN-MNOVXSKESA-N 1 2 222.288 1.545 20 0 BDADLO CC/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000650826045 410528993 /nfs/dbraw/zinc/52/89/93/410528993.db2.gz ZYBJEOWSPXUITA-UFFNRZRYSA-N 1 2 233.315 1.528 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153074458 410580433 /nfs/dbraw/zinc/58/04/33/410580433.db2.gz KQXSVCHUFRGJFG-NEPJUHHUSA-N 1 2 247.342 1.823 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@](C)(CO)C2)cc[nH+]1 ZINC000664599668 410611660 /nfs/dbraw/zinc/61/16/60/410611660.db2.gz XOMZHBCIGIJLEF-JOYOIKCWSA-N 1 2 221.304 1.240 20 0 BDADLO CCCCNC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000661423787 410642387 /nfs/dbraw/zinc/64/23/87/410642387.db2.gz MXEWNOWZJSFWKD-SECBINFHSA-N 1 2 241.360 1.710 20 0 BDADLO CC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000267373146 487618912 /nfs/dbraw/zinc/61/89/12/487618912.db2.gz QGHDYZKNLJTCMM-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO C[C@H](CC(=O)N1CCSCC1)n1cc[nH+]c1 ZINC000651120509 410822521 /nfs/dbraw/zinc/82/25/21/410822521.db2.gz FKZBHGOCPOACCP-SNVBAGLBSA-N 1 2 239.344 1.410 20 0 BDADLO CC[C@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000040878124 410894262 /nfs/dbraw/zinc/89/42/62/410894262.db2.gz SWRVEZRBDJRGSC-NSHDSACASA-N 1 2 222.288 1.189 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000040864031 410895713 /nfs/dbraw/zinc/89/57/13/410895713.db2.gz GJBQWYLMBRQKIS-AOOOYVTPSA-N 1 2 222.288 1.188 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(F)cn1 ZINC000276198644 167047656 /nfs/dbraw/zinc/04/76/56/167047656.db2.gz DRGPTMVHHUJEHE-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(F)cn1 ZINC000276198644 167047657 /nfs/dbraw/zinc/04/76/57/167047657.db2.gz DRGPTMVHHUJEHE-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370041060 167054144 /nfs/dbraw/zinc/05/41/44/167054144.db2.gz COYJSHPJUARQTP-PWSUYJOCSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370041060 167054148 /nfs/dbraw/zinc/05/41/48/167054148.db2.gz COYJSHPJUARQTP-PWSUYJOCSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000171677656 167075439 /nfs/dbraw/zinc/07/54/39/167075439.db2.gz NSMKCTJWCOBBSN-LLVKDONJSA-N 1 2 248.330 1.368 20 0 BDADLO CC(C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000047575127 167076234 /nfs/dbraw/zinc/07/62/34/167076234.db2.gz YYKNOYWBXVLWCJ-UHFFFAOYSA-N 1 2 236.319 1.355 20 0 BDADLO CC(C)[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094390 167143773 /nfs/dbraw/zinc/14/37/73/167143773.db2.gz ZOFURHZTHYHSPR-UHFFFAOYSA-N 1 2 203.249 1.483 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCOCC12CC2 ZINC000338599502 167153284 /nfs/dbraw/zinc/15/32/84/167153284.db2.gz UNMSIHAWDVRJSH-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCOCC12CC2 ZINC000338599502 167153286 /nfs/dbraw/zinc/15/32/86/167153286.db2.gz UNMSIHAWDVRJSH-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000049633070 167158709 /nfs/dbraw/zinc/15/87/09/167158709.db2.gz LJLBWMXKIJTKDH-UHFFFAOYSA-N 1 2 233.311 1.996 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000049633070 167158713 /nfs/dbraw/zinc/15/87/13/167158713.db2.gz LJLBWMXKIJTKDH-UHFFFAOYSA-N 1 2 233.311 1.996 20 0 BDADLO CCc1cc(NCC[C@@H](C)CCO)nc[nH+]1 ZINC000397871995 410938121 /nfs/dbraw/zinc/93/81/21/410938121.db2.gz JHTSKNWTEHVCFO-SNVBAGLBSA-N 1 2 223.320 1.281 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000120634575 167373718 /nfs/dbraw/zinc/37/37/18/167373718.db2.gz WZTKMMOQBKULHY-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000120634575 167373720 /nfs/dbraw/zinc/37/37/20/167373720.db2.gz WZTKMMOQBKULHY-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)[C@H](O)C(F)F ZINC000651398790 410980684 /nfs/dbraw/zinc/98/06/84/410980684.db2.gz ZXLYGFBDMCVRRQ-JUWDTYFHSA-N 1 2 247.289 1.773 20 0 BDADLO c1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c2c([nH+]1)NCCO2 ZINC000651408810 410991516 /nfs/dbraw/zinc/99/15/16/410991516.db2.gz UBZZJUSBCNVTAU-HLTSFMKQSA-N 1 2 248.286 1.013 20 0 BDADLO c1nc2c(c(N[C@@H]3C[C@H]4CC[C@@H]3O4)[nH+]1)OCCN2 ZINC000651408810 410991521 /nfs/dbraw/zinc/99/15/21/410991521.db2.gz UBZZJUSBCNVTAU-HLTSFMKQSA-N 1 2 248.286 1.013 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)O ZINC000651423396 411008442 /nfs/dbraw/zinc/00/84/42/411008442.db2.gz NYQFWECMERPCCA-VHSXEESVSA-N 1 2 239.319 1.110 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661622696 411076112 /nfs/dbraw/zinc/07/61/12/411076112.db2.gz VKCSVDOWCKROEF-LOKLDPHHSA-N 1 2 241.360 1.548 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661622696 411076118 /nfs/dbraw/zinc/07/61/18/411076118.db2.gz VKCSVDOWCKROEF-LOKLDPHHSA-N 1 2 241.360 1.548 20 0 BDADLO CCc1cc(N2C[C@@H](O)CC[C@H]2C)nc(C)[nH+]1 ZINC000399308497 411033078 /nfs/dbraw/zinc/03/30/78/411033078.db2.gz ANXHUBVVQWIEEI-SKDRFNHKSA-N 1 2 235.331 1.697 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3cnccc3o2)CC(=O)N1 ZINC000651823167 411146116 /nfs/dbraw/zinc/14/61/16/411146116.db2.gz YXBKRMBPEYKDDH-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)CC(=O)N1 ZINC000651823167 411146117 /nfs/dbraw/zinc/14/61/17/411146117.db2.gz YXBKRMBPEYKDDH-SECBINFHSA-N 1 2 245.282 1.148 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000045915762 411150098 /nfs/dbraw/zinc/15/00/98/411150098.db2.gz SHMASRRPDXPATK-DTORHVGOSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000045915762 411150099 /nfs/dbraw/zinc/15/00/99/411150099.db2.gz SHMASRRPDXPATK-DTORHVGOSA-N 1 2 209.293 1.856 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000652055996 411101115 /nfs/dbraw/zinc/10/11/15/411101115.db2.gz SSXQJVPSYYJBNV-MDZLAQPJSA-N 1 2 235.331 1.449 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000652055996 411101118 /nfs/dbraw/zinc/10/11/18/411101118.db2.gz SSXQJVPSYYJBNV-MDZLAQPJSA-N 1 2 235.331 1.449 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2nccs2)c2[nH+]ccn21 ZINC000652157362 411162481 /nfs/dbraw/zinc/16/24/81/411162481.db2.gz RLAVZZOOVJYIRG-JGVFFNPUSA-N 1 2 248.311 1.775 20 0 BDADLO CC(C)n1cc(C[NH+]2[C@H](C)C[C@H]2C)nn1 ZINC000336618510 167746615 /nfs/dbraw/zinc/74/66/15/167746615.db2.gz BIHCBVFRAPTLSV-NXEZZACHSA-N 1 2 208.309 1.842 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCO[C@@H](C)C1 ZINC000656107136 411179971 /nfs/dbraw/zinc/17/99/71/411179971.db2.gz YKFMFBFOFXEUFJ-QMMMGPOBSA-N 1 2 223.276 1.019 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](C)C1 ZINC000656115293 411181299 /nfs/dbraw/zinc/18/12/99/411181299.db2.gz ZHDNDCLORGUFLY-QMMMGPOBSA-N 1 2 207.277 1.640 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CCn1cccn1 ZINC000656124764 411182686 /nfs/dbraw/zinc/18/26/86/411182686.db2.gz HXERJFNSOUOOCS-UHFFFAOYSA-N 1 2 247.302 1.127 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)[C@H](C)CO ZINC000656128486 411183800 /nfs/dbraw/zinc/18/38/00/411183800.db2.gz ULRHGZXYKWFXAV-SFYZADRCSA-N 1 2 225.292 1.222 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1CC=CC1 ZINC000652447338 411244117 /nfs/dbraw/zinc/24/41/17/411244117.db2.gz BJWPHXUPNBWQPV-UHFFFAOYSA-N 1 2 234.303 1.421 20 0 BDADLO CCc1cnc(CNc2nc[nH+]c(C)c2OC)o1 ZINC000656164036 411190027 /nfs/dbraw/zinc/19/00/27/411190027.db2.gz GJPJOVQEZMSJRF-UHFFFAOYSA-N 1 2 248.286 1.956 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)C[C@@H](C)O ZINC000656156703 411190494 /nfs/dbraw/zinc/19/04/94/411190494.db2.gz RHNDOIXSVZPDIR-HTQZYQBOSA-N 1 2 225.292 1.365 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1(CCO)CC1 ZINC000656168611 411190594 /nfs/dbraw/zinc/19/05/94/411190594.db2.gz RWRWLVSQWXTTRB-UHFFFAOYSA-N 1 2 237.303 1.368 20 0 BDADLO CCC(C)(C)[NH+]1CCN(Cc2cnn[nH]2)CC1 ZINC000653811401 411190919 /nfs/dbraw/zinc/19/09/19/411190919.db2.gz HYRDJFZZUFZMRB-UHFFFAOYSA-N 1 2 237.351 1.111 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC1CC(O)C1 ZINC000656178996 411193173 /nfs/dbraw/zinc/19/31/73/411193173.db2.gz UXEDHVONIUJAKS-UHFFFAOYSA-N 1 2 237.303 1.367 20 0 BDADLO CCOCCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000653830263 411195466 /nfs/dbraw/zinc/19/54/66/411195466.db2.gz CSNLKIZQAOJFRI-UHFFFAOYSA-N 1 2 248.326 1.867 20 0 BDADLO CCOCCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000653830263 411195468 /nfs/dbraw/zinc/19/54/68/411195468.db2.gz CSNLKIZQAOJFRI-UHFFFAOYSA-N 1 2 248.326 1.867 20 0 BDADLO O=C1C[N@H+](C[C@H]2CCCO2)Cc2ccccc2N1 ZINC000653830584 411196041 /nfs/dbraw/zinc/19/60/41/411196041.db2.gz RUZHIKRJJRABKS-GFCCVEGCSA-N 1 2 246.310 1.620 20 0 BDADLO O=C1C[N@@H+](C[C@H]2CCCO2)Cc2ccccc2N1 ZINC000653830584 411196044 /nfs/dbraw/zinc/19/60/44/411196044.db2.gz RUZHIKRJJRABKS-GFCCVEGCSA-N 1 2 246.310 1.620 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(C2CC2)CC1 ZINC000656189272 411197070 /nfs/dbraw/zinc/19/70/70/411197070.db2.gz IEZKPXFJVQXMJJ-UHFFFAOYSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(C2CC2)CC1 ZINC000656189272 411197071 /nfs/dbraw/zinc/19/70/71/411197071.db2.gz IEZKPXFJVQXMJJ-UHFFFAOYSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(C)ncnc1N1CCn2c[nH+]cc2C1 ZINC000656189056 411197640 /nfs/dbraw/zinc/19/76/40/411197640.db2.gz PKGCCFGVXFXIPT-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CC[C@H](C)O1 ZINC000656199069 411201620 /nfs/dbraw/zinc/20/16/20/411201620.db2.gz ILOFHRWIDWAFDS-WCBMZHEXSA-N 1 2 237.303 1.773 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1ccc(N)nc1 ZINC000062321179 411202331 /nfs/dbraw/zinc/20/23/31/411202331.db2.gz WNAIBPILUVFEGY-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BDADLO COCC[C@H](C)CNc1nc[nH+]c(C)c1OC ZINC000656202040 411206139 /nfs/dbraw/zinc/20/61/39/411206139.db2.gz QSGRGZWIQZNQTL-VIFPVBQESA-N 1 2 239.319 1.878 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C(=O)N(C)C)C1 ZINC000656201793 411207295 /nfs/dbraw/zinc/20/72/95/411207295.db2.gz LBYYTPZGEYTVCJ-NSHDSACASA-N 1 2 248.330 1.008 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C[C@H](C)O)C2CC2)on1 ZINC000653902321 411217562 /nfs/dbraw/zinc/21/75/62/411217562.db2.gz QEPPACPQIHIBPN-QMMMGPOBSA-N 1 2 238.287 1.222 20 0 BDADLO CC(=O)c1cc(C[N@H+](C[C@H](C)O)C2CC2)on1 ZINC000653902321 411217564 /nfs/dbraw/zinc/21/75/64/411217564.db2.gz QEPPACPQIHIBPN-QMMMGPOBSA-N 1 2 238.287 1.222 20 0 BDADLO Cn1ccc(C[NH+]2CC3(CC3(F)F)C2)n1 ZINC000656265629 411221925 /nfs/dbraw/zinc/22/19/25/411221925.db2.gz FRRDDEXMTZLADN-UHFFFAOYSA-N 1 2 213.231 1.261 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000049237817 411229459 /nfs/dbraw/zinc/22/94/59/411229459.db2.gz NFDKBTLRLDVXSI-SECBINFHSA-N 1 2 246.270 1.477 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)C(C)C)[nH+]1 ZINC000652408471 411231291 /nfs/dbraw/zinc/23/12/91/411231291.db2.gz UDHZHYCCIIQRNA-UHFFFAOYSA-N 1 2 209.293 1.725 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652409702 411232856 /nfs/dbraw/zinc/23/28/56/411232856.db2.gz LSLMMTCTUGQONE-SFYZADRCSA-N 1 2 207.277 1.417 20 0 BDADLO FC(F)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000653722381 411247589 /nfs/dbraw/zinc/24/75/89/411247589.db2.gz BYWVDMZJQDBZLO-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1(C2CCC2)CC1 ZINC000652868068 411232888 /nfs/dbraw/zinc/23/28/88/411232888.db2.gz NOVKORRTRYIZKJ-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO Cn1cc[nH+]c1-c1ccc(CO)c(CO)c1 ZINC000656371232 411236701 /nfs/dbraw/zinc/23/67/01/411236701.db2.gz AGBBVXZVWIJYOU-UHFFFAOYSA-N 1 2 218.256 1.072 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cnccn1 ZINC000658089956 411241363 /nfs/dbraw/zinc/24/13/63/411241363.db2.gz CGDIPIGHGDGZDX-NWDGAFQWSA-N 1 2 248.374 2.000 20 0 BDADLO CC(C)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000656442602 411262371 /nfs/dbraw/zinc/26/23/71/411262371.db2.gz BAPHFRYUKLXVAN-UHFFFAOYSA-N 1 2 205.265 1.179 20 0 BDADLO FC(F)(F)[C@@H]1CCN1CCCn1cc[nH+]c1 ZINC000660569565 411327104 /nfs/dbraw/zinc/32/71/04/411327104.db2.gz ACQKHQZSOMTUMM-VIFPVBQESA-N 1 2 233.237 1.910 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000050814106 411266257 /nfs/dbraw/zinc/26/62/57/411266257.db2.gz XDGPBOWAMCPESI-UHFFFAOYSA-N 1 2 221.304 1.275 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000050814106 411266259 /nfs/dbraw/zinc/26/62/59/411266259.db2.gz XDGPBOWAMCPESI-UHFFFAOYSA-N 1 2 221.304 1.275 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC23CCC3)[nH]1 ZINC000658155965 411269990 /nfs/dbraw/zinc/26/99/90/411269990.db2.gz FSADSKDUUFYVDQ-SECBINFHSA-N 1 2 236.319 1.373 20 0 BDADLO CCC(C)(C)[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156540 411270280 /nfs/dbraw/zinc/27/02/80/411270280.db2.gz JNLNXWOSBLDDMJ-VIFPVBQESA-N 1 2 240.351 1.865 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)CCC2CC2)[nH]1 ZINC000658157196 411271003 /nfs/dbraw/zinc/27/10/03/411271003.db2.gz OTCJPUAWTWAVCW-SECBINFHSA-N 1 2 238.335 1.619 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC=CC1 ZINC000652898280 411271944 /nfs/dbraw/zinc/27/19/44/411271944.db2.gz SSMJUTTVGOPNAA-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1CC=CC1 ZINC000652898280 411271948 /nfs/dbraw/zinc/27/19/48/411271948.db2.gz SSMJUTTVGOPNAA-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO CCC[C@@H](CC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658160711 411274351 /nfs/dbraw/zinc/27/43/51/411274351.db2.gz ZHXYQWFBYBQTRV-SECBINFHSA-N 1 2 226.324 1.619 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)CCC(C)C)[nH]1 ZINC000658162613 411276187 /nfs/dbraw/zinc/27/61/87/411276187.db2.gz VJVDPLRFNTUGLQ-SNVBAGLBSA-N 1 2 240.351 1.865 20 0 BDADLO CC(C)(C)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000656469246 411280948 /nfs/dbraw/zinc/28/09/48/411280948.db2.gz GIAFCWHGYDOXKG-UHFFFAOYSA-N 1 2 205.265 1.347 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cncc(C)c2)nn1 ZINC000658176666 411282868 /nfs/dbraw/zinc/28/28/68/411282868.db2.gz OTEHKJGVPJJGOV-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CCOCCOC1C[NH+](CC2(F)CC2)C1 ZINC000656531849 411290312 /nfs/dbraw/zinc/29/03/12/411290312.db2.gz CGPGXEGIECQXJI-UHFFFAOYSA-N 1 2 217.284 1.226 20 0 BDADLO COc1ccc(N[C@H]2CCNC(=O)CC2)[nH+]c1 ZINC000396668111 411293146 /nfs/dbraw/zinc/29/31/46/411293146.db2.gz QNAHNOPQFYLOPZ-SECBINFHSA-N 1 2 235.287 1.171 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@]12C[C@@H]1CCC2 ZINC000656540349 411294150 /nfs/dbraw/zinc/29/41/50/411294150.db2.gz ZXCPRXMTXWZIPR-JQWIXIFHSA-N 1 2 234.303 1.125 20 0 BDADLO COc1cc(C[N@H+](C)Cc2ccco2)on1 ZINC000659816103 411302839 /nfs/dbraw/zinc/30/28/39/411302839.db2.gz OMCXIUKZIMABIT-UHFFFAOYSA-N 1 2 222.244 1.908 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2ccco2)on1 ZINC000659816103 411302844 /nfs/dbraw/zinc/30/28/44/411302844.db2.gz OMCXIUKZIMABIT-UHFFFAOYSA-N 1 2 222.244 1.908 20 0 BDADLO COC1(C)C[NH+](Cc2[nH]nc3ccccc32)C1 ZINC000656622552 411311625 /nfs/dbraw/zinc/31/16/25/411311625.db2.gz ZQIDRRNTNHSSSB-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000656621155 411311705 /nfs/dbraw/zinc/31/17/05/411311705.db2.gz AYYWDTPSYGKJSU-UHFFFAOYSA-N 1 2 247.298 1.890 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658252052 411314413 /nfs/dbraw/zinc/31/44/13/411314413.db2.gz IDZMHQUKLYUQGI-KPXOXKRLSA-N 1 2 235.331 1.672 20 0 BDADLO CC[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659838148 411317341 /nfs/dbraw/zinc/31/73/41/411317341.db2.gz METJKMDLFKETNM-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659838148 411317343 /nfs/dbraw/zinc/31/73/43/411317343.db2.gz METJKMDLFKETNM-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000403746667 411357990 /nfs/dbraw/zinc/35/79/90/411357990.db2.gz DHQZUHHZYLTGQF-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000403746667 411357994 /nfs/dbraw/zinc/35/79/94/411357994.db2.gz DHQZUHHZYLTGQF-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CCn1c[nH+]cc1CNc1nnc(C2CC2)n1C ZINC000656778024 411358694 /nfs/dbraw/zinc/35/86/94/411358694.db2.gz ITKLUXAHFRCYPB-UHFFFAOYSA-N 1 2 246.318 1.521 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000403746668 411358803 /nfs/dbraw/zinc/35/88/03/411358803.db2.gz DHQZUHHZYLTGQF-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000403746668 411358805 /nfs/dbraw/zinc/35/88/05/411358805.db2.gz DHQZUHHZYLTGQF-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)no1 ZINC000662132724 411363873 /nfs/dbraw/zinc/36/38/73/411363873.db2.gz AGLRXHLVEPWNNK-JOYOIKCWSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)no1 ZINC000662132724 411363874 /nfs/dbraw/zinc/36/38/74/411363874.db2.gz AGLRXHLVEPWNNK-JOYOIKCWSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CCOC)[nH]1 ZINC000659849171 411341738 /nfs/dbraw/zinc/34/17/38/411341738.db2.gz MJFPHMWWRHCKEO-MRVPVSSYSA-N 1 2 212.297 1.006 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CCOC)[nH]1 ZINC000659849171 411341741 /nfs/dbraw/zinc/34/17/41/411341741.db2.gz MJFPHMWWRHCKEO-MRVPVSSYSA-N 1 2 212.297 1.006 20 0 BDADLO CCCC[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653479530 411342861 /nfs/dbraw/zinc/34/28/61/411342861.db2.gz XYVWAJPRCOBSJM-UHFFFAOYSA-N 1 2 225.340 1.660 20 0 BDADLO CCCC[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653479530 411342864 /nfs/dbraw/zinc/34/28/64/411342864.db2.gz XYVWAJPRCOBSJM-UHFFFAOYSA-N 1 2 225.340 1.660 20 0 BDADLO CC1(C)[C@H](Nc2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000334023545 168003271 /nfs/dbraw/zinc/00/32/71/168003271.db2.gz FLPPHYVJDGBJSX-ZJUUUORDSA-N 1 2 248.330 1.622 20 0 BDADLO CC1(C)[C@H](Nc2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000334023545 168003272 /nfs/dbraw/zinc/00/32/72/168003272.db2.gz FLPPHYVJDGBJSX-ZJUUUORDSA-N 1 2 248.330 1.622 20 0 BDADLO CC1(C[NH2+]c2ccc(OC3COC3)cc2)COC1 ZINC000286182046 168047995 /nfs/dbraw/zinc/04/79/95/168047995.db2.gz XGFGLYILYJVABD-UHFFFAOYSA-N 1 2 249.310 1.913 20 0 BDADLO CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC000299662741 168054459 /nfs/dbraw/zinc/05/44/59/168054459.db2.gz NLHZETBIUGIPHR-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO CCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654365425 411378041 /nfs/dbraw/zinc/37/80/41/411378041.db2.gz IVTKODMNQOBUPP-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654365425 411378043 /nfs/dbraw/zinc/37/80/43/411378043.db2.gz IVTKODMNQOBUPP-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CC[NH+]1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC000654366299 411378097 /nfs/dbraw/zinc/37/80/97/411378097.db2.gz RIPOSPPAHUUJFL-UHFFFAOYSA-N 1 2 238.287 1.066 20 0 BDADLO CO[C@@H](C[N@H+](CC(F)F)C1CC1)[C@@H]1CCOC1 ZINC000659909935 411380137 /nfs/dbraw/zinc/38/01/37/411380137.db2.gz YZPRUNOOEUAMPC-KOLCDFICSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@@H](C[N@@H+](CC(F)F)C1CC1)[C@@H]1CCOC1 ZINC000659909935 411380138 /nfs/dbraw/zinc/38/01/38/411380138.db2.gz YZPRUNOOEUAMPC-KOLCDFICSA-N 1 2 249.301 1.767 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC=C(C)CC2)on1 ZINC000270325391 168118137 /nfs/dbraw/zinc/11/81/37/168118137.db2.gz KWNQBFJFERRTDJ-NSHDSACASA-N 1 2 249.314 1.962 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC=C(C)CC2)on1 ZINC000270325391 168118139 /nfs/dbraw/zinc/11/81/39/168118139.db2.gz KWNQBFJFERRTDJ-NSHDSACASA-N 1 2 249.314 1.962 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000337258252 168127690 /nfs/dbraw/zinc/12/76/90/168127690.db2.gz UTRDFGOYLLUMCR-VIFPVBQESA-N 1 2 236.319 1.534 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000337258252 168127692 /nfs/dbraw/zinc/12/76/92/168127692.db2.gz UTRDFGOYLLUMCR-VIFPVBQESA-N 1 2 236.319 1.534 20 0 BDADLO CC1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000328662003 168189802 /nfs/dbraw/zinc/18/98/02/168189802.db2.gz AOGXFVXKEIKFCB-UHFFFAOYSA-N 1 2 242.282 1.359 20 0 BDADLO CCC(=O)CC[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000377202841 168202161 /nfs/dbraw/zinc/20/21/61/168202161.db2.gz YMYNTGZWIQYUBT-CYBMUJFWSA-N 1 2 243.347 1.481 20 0 BDADLO CCC(=O)CC[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000377202841 168202165 /nfs/dbraw/zinc/20/21/65/168202165.db2.gz YMYNTGZWIQYUBT-CYBMUJFWSA-N 1 2 243.347 1.481 20 0 BDADLO CCC(=O)CC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000377202842 168203283 /nfs/dbraw/zinc/20/32/83/168203283.db2.gz YMYNTGZWIQYUBT-ZDUSSCGKSA-N 1 2 243.347 1.481 20 0 BDADLO CCC(=O)CC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000377202842 168203285 /nfs/dbraw/zinc/20/32/85/168203285.db2.gz YMYNTGZWIQYUBT-ZDUSSCGKSA-N 1 2 243.347 1.481 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000070242581 168221800 /nfs/dbraw/zinc/22/18/00/168221800.db2.gz BXVZDKXCGIGQSK-UHFFFAOYSA-N 1 2 238.356 1.802 20 0 BDADLO CCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122988592 168222639 /nfs/dbraw/zinc/22/26/39/168222639.db2.gz HYXQAJUCQAHUEL-MNOVXSKESA-N 1 2 221.304 1.703 20 0 BDADLO CCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374353278 168224706 /nfs/dbraw/zinc/22/47/06/168224706.db2.gz DAHZODILWMAOMN-SECBINFHSA-N 1 2 207.277 1.146 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccn(C)n2)c[nH+]1 ZINC000654382406 411383634 /nfs/dbraw/zinc/38/36/34/411383634.db2.gz BXRFXGJXVNIPPN-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657303011 411456824 /nfs/dbraw/zinc/45/68/24/411456824.db2.gz MBXDWESRCVFFLD-MNOVXSKESA-N 1 2 249.314 1.558 20 0 BDADLO C(c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657303011 411456826 /nfs/dbraw/zinc/45/68/26/411456826.db2.gz MBXDWESRCVFFLD-MNOVXSKESA-N 1 2 249.314 1.558 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000653003748 411392915 /nfs/dbraw/zinc/39/29/15/411392915.db2.gz DCCNCKVTOMXXQA-SNVBAGLBSA-N 1 2 241.241 1.141 20 0 BDADLO OC[C@H]([NH2+]Cc1cnc[nH]1)c1cccc(F)c1 ZINC000582820483 411399551 /nfs/dbraw/zinc/39/95/51/411399551.db2.gz COPICBXAVWUWID-LBPRGKRZSA-N 1 2 235.262 1.372 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cnc(C)s2)[nH]1 ZINC000129851228 411405661 /nfs/dbraw/zinc/40/56/61/411405661.db2.gz CLLSPDBVMYJJEM-ZCFIWIBFSA-N 1 2 237.332 1.729 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nn1 ZINC000414371606 411411013 /nfs/dbraw/zinc/41/10/13/411411013.db2.gz NFGCYFCMHXZFNS-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nn1 ZINC000414371606 411411016 /nfs/dbraw/zinc/41/10/16/411411016.db2.gz NFGCYFCMHXZFNS-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](n3cncn3)C2)co1 ZINC000660325373 411413020 /nfs/dbraw/zinc/41/30/20/411413020.db2.gz WBEGXUFROOCWDT-NSHDSACASA-N 1 2 233.275 1.022 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](n3cncn3)C2)co1 ZINC000660325373 411413021 /nfs/dbraw/zinc/41/30/21/411413021.db2.gz WBEGXUFROOCWDT-NSHDSACASA-N 1 2 233.275 1.022 20 0 BDADLO COC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccco1 ZINC000266948894 411419371 /nfs/dbraw/zinc/41/93/71/411419371.db2.gz SRYTVFYPSDMFKB-JTQLQIEISA-N 1 2 249.270 1.429 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)nc(C)n1 ZINC000659817042 411462413 /nfs/dbraw/zinc/46/24/13/411462413.db2.gz GMLPJXNZVLANKY-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2)nc(C)n1 ZINC000659817042 411462416 /nfs/dbraw/zinc/46/24/16/411462416.db2.gz GMLPJXNZVLANKY-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO CC[C@@H](C)C[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653555080 411419949 /nfs/dbraw/zinc/41/99/49/411419949.db2.gz IUORYKSYSMYXNL-SNVBAGLBSA-N 1 2 239.367 1.906 20 0 BDADLO CC[C@@H](C)C[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653555080 411419953 /nfs/dbraw/zinc/41/99/53/411419953.db2.gz IUORYKSYSMYXNL-SNVBAGLBSA-N 1 2 239.367 1.906 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653564579 411422053 /nfs/dbraw/zinc/42/20/53/411422053.db2.gz CMACPDMTDJHXSR-VHSXEESVSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653564579 411422057 /nfs/dbraw/zinc/42/20/57/411422057.db2.gz CMACPDMTDJHXSR-VHSXEESVSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nnn(C(C)(C)C)n1 ZINC000653568806 411424533 /nfs/dbraw/zinc/42/45/33/411424533.db2.gz LKIPZIUSILCBKW-NXEZZACHSA-N 1 2 237.351 1.801 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)nc(C)n1 ZINC000659820550 411462938 /nfs/dbraw/zinc/46/29/38/411462938.db2.gz HWAZWDBCEQIOEX-GHMZBOCLSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)nc(C)n1 ZINC000659820550 411462940 /nfs/dbraw/zinc/46/29/40/411462940.db2.gz HWAZWDBCEQIOEX-GHMZBOCLSA-N 1 2 235.331 1.703 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C ZINC000654701572 411433335 /nfs/dbraw/zinc/43/33/35/411433335.db2.gz GFCASMWSQQGQKZ-NQMVMOMDSA-N 1 2 207.277 1.113 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C ZINC000654701572 411433337 /nfs/dbraw/zinc/43/33/37/411433337.db2.gz GFCASMWSQQGQKZ-NQMVMOMDSA-N 1 2 207.277 1.113 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)nc(C)n1 ZINC000659820551 411463105 /nfs/dbraw/zinc/46/31/05/411463105.db2.gz HWAZWDBCEQIOEX-MNOVXSKESA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)nc(C)n1 ZINC000659820551 411463108 /nfs/dbraw/zinc/46/31/08/411463108.db2.gz HWAZWDBCEQIOEX-MNOVXSKESA-N 1 2 235.331 1.703 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CC=CCC1 ZINC000653609770 411439299 /nfs/dbraw/zinc/43/92/99/411439299.db2.gz CQOWZYLISOUWIW-VIFPVBQESA-N 1 2 204.277 1.382 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC=CCC1 ZINC000653609770 411439303 /nfs/dbraw/zinc/43/93/03/411439303.db2.gz CQOWZYLISOUWIW-VIFPVBQESA-N 1 2 204.277 1.382 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccncc1 ZINC000274994121 411439603 /nfs/dbraw/zinc/43/96/03/411439603.db2.gz ONDXJHJVXCCOOV-WCQYABFASA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccncc1 ZINC000274994121 411439606 /nfs/dbraw/zinc/43/96/06/411439606.db2.gz ONDXJHJVXCCOOV-WCQYABFASA-N 1 2 248.326 1.855 20 0 BDADLO c1c(C[NH2+]Cc2cccnc2)nn2c1CCC2 ZINC000657286568 411445318 /nfs/dbraw/zinc/44/53/18/411445318.db2.gz PPSGMPFRTJGQGH-UHFFFAOYSA-N 1 2 228.299 1.514 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1coc(C)n1 ZINC000660389332 411449321 /nfs/dbraw/zinc/44/93/21/411449321.db2.gz KSWMFNLYNXJSNE-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1coc(C)n1 ZINC000660389332 411449322 /nfs/dbraw/zinc/44/93/22/411449322.db2.gz KSWMFNLYNXJSNE-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000280509898 411452512 /nfs/dbraw/zinc/45/25/12/411452512.db2.gz QGZBKLXSJKLXLI-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000280509898 411452515 /nfs/dbraw/zinc/45/25/15/411452515.db2.gz QGZBKLXSJKLXLI-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1CCC1 ZINC000654960943 411467439 /nfs/dbraw/zinc/46/74/39/411467439.db2.gz YQGVXRYFPGVVOO-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1CCC1 ZINC000654960943 411467440 /nfs/dbraw/zinc/46/74/40/411467440.db2.gz YQGVXRYFPGVVOO-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1CCC1 ZINC000654960945 411467679 /nfs/dbraw/zinc/46/76/79/411467679.db2.gz YQGVXRYFPGVVOO-ZJUUUORDSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1CCC1 ZINC000654960945 411467682 /nfs/dbraw/zinc/46/76/82/411467682.db2.gz YQGVXRYFPGVVOO-ZJUUUORDSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cnn(C)c1 ZINC000657344022 411469417 /nfs/dbraw/zinc/46/94/17/411469417.db2.gz UIRBBFQGDFFRKL-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO CCC1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000659848676 411475865 /nfs/dbraw/zinc/47/58/65/411475865.db2.gz LAUPXJCLKGAVHE-UHFFFAOYSA-N 1 2 208.309 1.469 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCCO2)co1 ZINC000659851603 411477438 /nfs/dbraw/zinc/47/74/38/411477438.db2.gz IVHBMNPTJKMVEH-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCCO2)co1 ZINC000659851603 411477440 /nfs/dbraw/zinc/47/74/40/411477440.db2.gz IVHBMNPTJKMVEH-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1cocn1 ZINC000657355671 411477801 /nfs/dbraw/zinc/47/78/01/411477801.db2.gz YZAVUNTYDQZGBS-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)on1 ZINC000659855797 411478938 /nfs/dbraw/zinc/47/89/38/411478938.db2.gz LUTJVYKGXLIUFM-VIFPVBQESA-N 1 2 240.303 1.683 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)on1 ZINC000659855797 411478941 /nfs/dbraw/zinc/47/89/41/411478941.db2.gz LUTJVYKGXLIUFM-VIFPVBQESA-N 1 2 240.303 1.683 20 0 BDADLO CCc1ccc(C[NH+]2CC(NC(C)=O)C2)o1 ZINC000297480948 411482674 /nfs/dbraw/zinc/48/26/74/411482674.db2.gz SEUGIQTUVIMKDC-UHFFFAOYSA-N 1 2 222.288 1.162 20 0 BDADLO Cc1cnc(CNCc2c[nH+]c3n2CCC3)s1 ZINC000657375876 411483591 /nfs/dbraw/zinc/48/35/91/411483591.db2.gz FEPFKEPWFHHEKS-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCC(F)(F)C1 ZINC000652745657 411483877 /nfs/dbraw/zinc/48/38/77/411483877.db2.gz DHFKDPYUUFGZEA-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO Cc1c[nH]c(CNCc2ncc(C)s2)[nH+]1 ZINC000657376195 411485848 /nfs/dbraw/zinc/48/58/48/411485848.db2.gz HUXPQQQRYNORGL-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCS[C@H](C)C2)[nH]1 ZINC000659880095 411488039 /nfs/dbraw/zinc/48/80/39/411488039.db2.gz YAANNCADLKFEQK-RKDXNWHRSA-N 1 2 240.376 1.865 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCS[C@H](C)C2)[nH]1 ZINC000659880095 411488042 /nfs/dbraw/zinc/48/80/42/411488042.db2.gz YAANNCADLKFEQK-RKDXNWHRSA-N 1 2 240.376 1.865 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H]1C ZINC000655076170 411490136 /nfs/dbraw/zinc/49/01/36/411490136.db2.gz IZIWPUDQKZGJQG-IQJOONFLSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H]1C ZINC000655076170 411490139 /nfs/dbraw/zinc/49/01/39/411490139.db2.gz IZIWPUDQKZGJQG-IQJOONFLSA-N 1 2 221.304 1.503 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CF)ccn12 ZINC000655079527 411490548 /nfs/dbraw/zinc/49/05/48/411490548.db2.gz CYWDRBGNXMBZOT-MRVPVSSYSA-N 1 2 235.262 1.731 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1coc(C)n1 ZINC000655128116 411500784 /nfs/dbraw/zinc/50/07/84/411500784.db2.gz WTRSUZHZKANLGR-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO CCn1cc(NCc2[nH]cc(C)[nH+]2)cn1 ZINC000657419401 411501682 /nfs/dbraw/zinc/50/16/82/411501682.db2.gz ZGSOABAFLMIRNL-UHFFFAOYSA-N 1 2 205.265 1.547 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC12CC2 ZINC000655150171 411506005 /nfs/dbraw/zinc/50/60/05/411506005.db2.gz WXAUGYHMFLZMLN-UWVGGRQHSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC12CC2 ZINC000655150171 411506008 /nfs/dbraw/zinc/50/60/08/411506008.db2.gz WXAUGYHMFLZMLN-UWVGGRQHSA-N 1 2 233.315 1.505 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ncccc2O)n1 ZINC000657452209 411513490 /nfs/dbraw/zinc/51/34/90/411513490.db2.gz ASHXAVJEGGQZJW-UHFFFAOYSA-N 1 2 218.260 1.109 20 0 BDADLO Cc1c[nH]c(CNC2(C(F)F)CC2)[nH+]1 ZINC000657461831 411517091 /nfs/dbraw/zinc/51/70/91/411517091.db2.gz LFEUMEFSEKPYMA-UHFFFAOYSA-N 1 2 201.220 1.605 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1nc(C)c[nH]1 ZINC000657475566 411524808 /nfs/dbraw/zinc/52/48/08/411524808.db2.gz XZRFQXRGTGXDEN-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CC(C)(C)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655819670 411525423 /nfs/dbraw/zinc/52/54/23/411525423.db2.gz NDBQIXNBNBZGRT-VIFPVBQESA-N 1 2 238.335 1.792 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000660009553 411527094 /nfs/dbraw/zinc/52/70/94/411527094.db2.gz WERUXKJEYCGVSI-NXEZZACHSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000660009553 411527095 /nfs/dbraw/zinc/52/70/95/411527095.db2.gz WERUXKJEYCGVSI-NXEZZACHSA-N 1 2 224.304 1.846 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(C2CC2)no1 ZINC000660090702 411535237 /nfs/dbraw/zinc/53/52/37/411535237.db2.gz CXVXGOOMXBAAPW-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cc(C2CC2)no1 ZINC000660090702 411535239 /nfs/dbraw/zinc/53/52/39/411535239.db2.gz CXVXGOOMXBAAPW-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO CCn1ccc(CNCc2[nH+]ccn2C(C)C)n1 ZINC000657490709 411532061 /nfs/dbraw/zinc/53/20/61/411532061.db2.gz MYLFBWBZXZSVLM-UHFFFAOYSA-N 1 2 247.346 1.970 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCC[C@H]1C ZINC000336233483 170001637 /nfs/dbraw/zinc/00/16/37/170001637.db2.gz QUQURTLUWSQJPQ-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCCC[C@H]1C ZINC000336233483 170001638 /nfs/dbraw/zinc/00/16/38/170001638.db2.gz QUQURTLUWSQJPQ-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000358079367 170035159 /nfs/dbraw/zinc/03/51/59/170035159.db2.gz DYIWQWTWBCWVFN-WFASDCNBSA-N 1 2 248.370 1.865 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCCOC)[C@@H](C)C1 ZINC000309049651 170036165 /nfs/dbraw/zinc/03/61/65/170036165.db2.gz QEJMTIWPPSRRQX-RYUDHWBXSA-N 1 2 214.353 1.343 20 0 BDADLO COc1cccc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000657524303 411541804 /nfs/dbraw/zinc/54/18/04/411541804.db2.gz XHXBEVVWXJSKCE-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO C[C@H](c1csnn1)N(C)Cc1[nH]cc[nH+]1 ZINC000660140936 411543644 /nfs/dbraw/zinc/54/36/44/411543644.db2.gz CGZNDAREJMSAHA-SSDOTTSWSA-N 1 2 223.305 1.454 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000660137269 411543944 /nfs/dbraw/zinc/54/39/44/411543944.db2.gz NUWOMAGIENONRQ-SECBINFHSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000660137269 411543946 /nfs/dbraw/zinc/54/39/46/411543946.db2.gz NUWOMAGIENONRQ-SECBINFHSA-N 1 2 245.273 1.276 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)on1 ZINC000660092925 411535889 /nfs/dbraw/zinc/53/58/89/411535889.db2.gz VXSPBNWTOBLQBA-UHFFFAOYSA-N 1 2 222.248 1.038 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)on1 ZINC000660092925 411535891 /nfs/dbraw/zinc/53/58/91/411535891.db2.gz VXSPBNWTOBLQBA-UHFFFAOYSA-N 1 2 222.248 1.038 20 0 BDADLO CCNC(=O)[C@@H](Nc1cccc[nH+]1)C(C)C ZINC000293020461 170092267 /nfs/dbraw/zinc/09/22/67/170092267.db2.gz KOILRRDBKWZXCG-NSHDSACASA-N 1 2 221.304 1.654 20 0 BDADLO Cc1occc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657568190 411552971 /nfs/dbraw/zinc/55/29/71/411552971.db2.gz CVDQZZPTHNORQQ-GZMMTYOYSA-N 1 2 232.287 1.975 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2)c2ncnn21 ZINC000657567528 411553401 /nfs/dbraw/zinc/55/34/01/411553401.db2.gz SNCURAGJUYERCQ-CABZTGNLSA-N 1 2 244.298 1.779 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCCOC2)n1 ZINC000062243574 170131262 /nfs/dbraw/zinc/13/12/62/170131262.db2.gz PKQBIZDMJBPARL-MRVPVSSYSA-N 1 2 211.265 1.073 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1noc(C)n1)C1CCC1 ZINC000660213862 411554701 /nfs/dbraw/zinc/55/47/01/411554701.db2.gz DNJANKXCNRZPQB-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1noc(C)n1)C1CCC1 ZINC000660213862 411554703 /nfs/dbraw/zinc/55/47/03/411554703.db2.gz DNJANKXCNRZPQB-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CCC(F)(F)C2)CO1 ZINC000660215672 411554732 /nfs/dbraw/zinc/55/47/32/411554732.db2.gz RALIRRJNYNIWDQ-QMMMGPOBSA-N 1 2 205.248 1.895 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CCC(F)(F)C2)CO1 ZINC000660215672 411554734 /nfs/dbraw/zinc/55/47/34/411554734.db2.gz RALIRRJNYNIWDQ-QMMMGPOBSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2c[nH]nn2)C[C@H]1F ZINC000660221114 411555170 /nfs/dbraw/zinc/55/51/70/411555170.db2.gz LZPLZMRCSZNANB-PSASIEDQSA-N 1 2 212.272 1.027 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C[C@H]1F ZINC000660221114 411555172 /nfs/dbraw/zinc/55/51/72/411555172.db2.gz LZPLZMRCSZNANB-PSASIEDQSA-N 1 2 212.272 1.027 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC=CCC2)[nH]1 ZINC000660221514 411556077 /nfs/dbraw/zinc/55/60/77/411556077.db2.gz QYKCODXMYAHEBJ-VIFPVBQESA-N 1 2 206.293 1.690 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC=CCC2)[nH]1 ZINC000660221514 411556080 /nfs/dbraw/zinc/55/60/80/411556080.db2.gz QYKCODXMYAHEBJ-VIFPVBQESA-N 1 2 206.293 1.690 20 0 BDADLO Cc1cnc(CN(C)Cc2[nH]cc[nH+]2)nc1 ZINC000660143024 411544849 /nfs/dbraw/zinc/54/48/49/411544849.db2.gz PIQXRXNMXLZGGL-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO COC[C@H](C[N@@H+]1CCC[C@H]1C(F)F)OC ZINC000660147357 411546430 /nfs/dbraw/zinc/54/64/30/411546430.db2.gz FBWVMFHNVMTJMD-IUCAKERBSA-N 1 2 223.263 1.377 20 0 BDADLO COC[C@H](C[N@H+]1CCC[C@H]1C(F)F)OC ZINC000660147357 411546431 /nfs/dbraw/zinc/54/64/31/411546431.db2.gz FBWVMFHNVMTJMD-IUCAKERBSA-N 1 2 223.263 1.377 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309942955 170186973 /nfs/dbraw/zinc/18/69/73/170186973.db2.gz CHHOKSPRPXKMAB-SECBINFHSA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)C1(O)CC[NH+](C/C=C/Cl)CC1 ZINC000267451951 170190835 /nfs/dbraw/zinc/19/08/35/170190835.db2.gz RATBZCJGETVSGZ-ZZXKWVIFSA-N 1 2 247.722 1.129 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1cc(C)on1 ZINC000048755948 170203365 /nfs/dbraw/zinc/20/33/65/170203365.db2.gz NIHPOOJKSXVSFA-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1cc(C)on1 ZINC000048755948 170203367 /nfs/dbraw/zinc/20/33/67/170203367.db2.gz NIHPOOJKSXVSFA-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO Cc1nc(C[NH2+][C@@H](CO)c2ccsc2)co1 ZINC000660303812 411566497 /nfs/dbraw/zinc/56/64/97/411566497.db2.gz WUMDVFMIIXHJQQ-NSHDSACASA-N 1 2 238.312 1.868 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccn(C)c1)C(C)C ZINC000271110978 170217499 /nfs/dbraw/zinc/21/74/99/170217499.db2.gz DOIDQGGDMSAKDT-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccn(C)c1)C(C)C ZINC000271110978 170217502 /nfs/dbraw/zinc/21/75/02/170217502.db2.gz DOIDQGGDMSAKDT-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CCOC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292432058 170222646 /nfs/dbraw/zinc/22/26/46/170222646.db2.gz NRVPZJBFZMDQIF-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO CCOC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292432058 170222647 /nfs/dbraw/zinc/22/26/47/170222647.db2.gz NRVPZJBFZMDQIF-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO CCOC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000309643939 170226232 /nfs/dbraw/zinc/22/62/32/170226232.db2.gz LOBYTFRUMWWNSB-RYUDHWBXSA-N 1 2 227.304 1.097 20 0 BDADLO CCOC(=O)CSCc1c[nH+]cn1C ZINC000267233296 170230293 /nfs/dbraw/zinc/23/02/93/170230293.db2.gz WWCADNIBNVECGJ-UHFFFAOYSA-N 1 2 214.290 1.216 20 0 BDADLO CCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000009238586 170236164 /nfs/dbraw/zinc/23/61/64/170236164.db2.gz YAUCBBAZWZBBCD-UHFFFAOYSA-N 1 2 218.256 1.748 20 0 BDADLO CCOC(=O)N1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000274527574 170240095 /nfs/dbraw/zinc/24/00/95/170240095.db2.gz YBVMDMABVWUSPY-JTQLQIEISA-N 1 2 235.287 1.724 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1nccs1 ZINC000157703212 170246931 /nfs/dbraw/zinc/24/69/31/170246931.db2.gz KVEARSKCNNBRFD-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1nccs1 ZINC000157703212 170246932 /nfs/dbraw/zinc/24/69/32/170246932.db2.gz KVEARSKCNNBRFD-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](CC)OC ZINC000357302807 170250428 /nfs/dbraw/zinc/25/04/28/170250428.db2.gz SPPZPRLZFCCWGL-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660254196 411560902 /nfs/dbraw/zinc/56/09/02/411560902.db2.gz LOWLUCNQSBOXGN-SNVBAGLBSA-N 1 2 222.336 1.715 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660254196 411560904 /nfs/dbraw/zinc/56/09/04/411560904.db2.gz LOWLUCNQSBOXGN-SNVBAGLBSA-N 1 2 222.336 1.715 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cccc[nH+]1 ZINC000260334040 170264602 /nfs/dbraw/zinc/26/46/02/170264602.db2.gz XLDVUMAKNONOEN-SECBINFHSA-N 1 2 208.261 1.693 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043638725 170265260 /nfs/dbraw/zinc/26/52/60/170265260.db2.gz GNDZEVBPDPVXCX-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043638725 170265261 /nfs/dbraw/zinc/26/52/61/170265261.db2.gz GNDZEVBPDPVXCX-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000360029509 170265901 /nfs/dbraw/zinc/26/59/01/170265901.db2.gz OQMVSBLBTXSPCW-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000360029509 170265902 /nfs/dbraw/zinc/26/59/02/170265902.db2.gz OQMVSBLBTXSPCW-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000043638577 170265910 /nfs/dbraw/zinc/26/59/10/170265910.db2.gz LLFABLJKFCBGHH-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000043638577 170265911 /nfs/dbraw/zinc/26/59/11/170265911.db2.gz LLFABLJKFCBGHH-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000276218693 170269962 /nfs/dbraw/zinc/26/99/62/170269962.db2.gz XTJDJSMCJFEGCU-RKDXNWHRSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)COC ZINC000336779553 170270709 /nfs/dbraw/zinc/27/07/09/170270709.db2.gz OQQROAZGPWNCGF-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CSC[C@@H]1C ZINC000309027729 170272241 /nfs/dbraw/zinc/27/22/41/170272241.db2.gz BUFWJLMCZRSTGR-LPEHRKFASA-N 1 2 231.361 1.669 20 0 BDADLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccco2)C1 ZINC000293822013 170273743 /nfs/dbraw/zinc/27/37/43/170273743.db2.gz FWILPEPFGAIAOY-LLVKDONJSA-N 1 2 241.262 1.613 20 0 BDADLO CCOC(=O)c1cc(C[NH2+]CC(F)F)[nH]c1C ZINC000298023348 170291861 /nfs/dbraw/zinc/29/18/61/170291861.db2.gz DWLMPZDEBPSYBF-UHFFFAOYSA-N 1 2 246.257 1.855 20 0 BDADLO CC(C)=CCCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000660332832 411570807 /nfs/dbraw/zinc/57/08/07/411570807.db2.gz WEDAPEKSFYGCGB-ZDUSSCGKSA-N 1 2 226.364 1.341 20 0 BDADLO CC(C)=CCCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000660332832 411570808 /nfs/dbraw/zinc/57/08/08/411570808.db2.gz WEDAPEKSFYGCGB-ZDUSSCGKSA-N 1 2 226.364 1.341 20 0 BDADLO CCOC(=O)c1ncn(-c2c[nH+]ccc2C)c1N ZINC000071414263 170308729 /nfs/dbraw/zinc/30/87/29/170308729.db2.gz QLPDAOJIWSNNFX-UHFFFAOYSA-N 1 2 246.270 1.335 20 0 BDADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)CF ZINC000290200867 170308859 /nfs/dbraw/zinc/30/88/59/170308859.db2.gz PPCIWQUZWZQAAW-MRVPVSSYSA-N 1 2 243.282 1.044 20 0 BDADLO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000657668214 411574083 /nfs/dbraw/zinc/57/40/83/411574083.db2.gz YARXNBSBSMYUGX-KOLCDFICSA-N 1 2 209.293 1.457 20 0 BDADLO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000657668216 411574101 /nfs/dbraw/zinc/57/41/01/411574101.db2.gz YARXNBSBSMYUGX-ONGXEEELSA-N 1 2 209.293 1.457 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)on1 ZINC000660373574 411574190 /nfs/dbraw/zinc/57/41/90/411574190.db2.gz CIAJLRMFSDNGHA-GUBZILKMSA-N 1 2 240.303 1.681 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)on1 ZINC000660373574 411574191 /nfs/dbraw/zinc/57/41/91/411574191.db2.gz CIAJLRMFSDNGHA-GUBZILKMSA-N 1 2 240.303 1.681 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000295906120 170335706 /nfs/dbraw/zinc/33/57/06/170335706.db2.gz GVRLXHXFMVQSHR-CQSZACIVSA-N 1 2 235.327 1.749 20 0 BDADLO CCOC1C[NH+](Cc2ccc(OC)cc2)C1 ZINC000297550737 170336827 /nfs/dbraw/zinc/33/68/27/170336827.db2.gz ZNVHTJJINKOOMF-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000297512125 170337091 /nfs/dbraw/zinc/33/70/91/170337091.db2.gz VZPHGKWEGZCKFD-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO CCOCC(C)(C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000293820706 170352950 /nfs/dbraw/zinc/35/29/50/170352950.db2.gz GDQIGGNWGJWLHW-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO CCOCC(C)(C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000293820706 170352953 /nfs/dbraw/zinc/35/29/53/170352953.db2.gz GDQIGGNWGJWLHW-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000657662315 411575686 /nfs/dbraw/zinc/57/56/86/411575686.db2.gz AFKYEUMYPAYULC-CABZTGNLSA-N 1 2 223.320 1.765 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662314 411575699 /nfs/dbraw/zinc/57/56/99/411575699.db2.gz AFKYEUMYPAYULC-BXKDBHETSA-N 1 2 223.320 1.765 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(C)s1 ZINC000358733693 170391529 /nfs/dbraw/zinc/39/15/29/170391529.db2.gz BWBUGPJDZNLJGO-UHFFFAOYSA-N 1 2 215.322 1.315 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(C)s1 ZINC000358733693 170391531 /nfs/dbraw/zinc/39/15/31/170391531.db2.gz BWBUGPJDZNLJGO-UHFFFAOYSA-N 1 2 215.322 1.315 20 0 BDADLO CCOCC[N@H+](CC)Cc1cn[nH]c1C ZINC000092537990 170395272 /nfs/dbraw/zinc/39/52/72/170395272.db2.gz BXNMCOUPYFHMBK-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cn[nH]c1C ZINC000092537990 170395274 /nfs/dbraw/zinc/39/52/74/170395274.db2.gz BXNMCOUPYFHMBK-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CCOCCN(CC)c1cc[nH+]c(C)n1 ZINC000266435745 170396355 /nfs/dbraw/zinc/39/63/55/170396355.db2.gz VARYHTORQMWPKS-UHFFFAOYSA-N 1 2 209.293 1.648 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660778251 411627567 /nfs/dbraw/zinc/62/75/67/411627567.db2.gz XSBURMGFTOTJOM-GFCCVEGCSA-N 1 2 238.335 1.238 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660778251 411627570 /nfs/dbraw/zinc/62/75/70/411627570.db2.gz XSBURMGFTOTJOM-GFCCVEGCSA-N 1 2 238.335 1.238 20 0 BDADLO O[C@@H]1C[N@H+](CCC2CCC2)CC(F)(F)C1 ZINC000660392245 411578293 /nfs/dbraw/zinc/57/82/93/411578293.db2.gz XYAOUYUGTKFQLD-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1C[N@@H+](CCC2CCC2)CC(F)(F)C1 ZINC000660392245 411578294 /nfs/dbraw/zinc/57/82/94/411578294.db2.gz XYAOUYUGTKFQLD-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO Cn1cc(C[NH2+][C@H]2CCc3ccc(O)cc32)nn1 ZINC000657694227 411579481 /nfs/dbraw/zinc/57/94/81/411579481.db2.gz TVXVVENDDJMXQC-ZDUSSCGKSA-N 1 2 244.298 1.298 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCc1cncc(C)n1 ZINC000657712618 411585770 /nfs/dbraw/zinc/58/57/70/411585770.db2.gz ZBJIHRLQJCDRHV-UHFFFAOYSA-N 1 2 231.303 1.149 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)co1 ZINC000660445771 411586083 /nfs/dbraw/zinc/58/60/83/411586083.db2.gz NVNOJDUQQBBSBV-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)co1 ZINC000660445771 411586085 /nfs/dbraw/zinc/58/60/85/411586085.db2.gz NVNOJDUQQBBSBV-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO COC[C@H](C[N@@H+]1CCCC[C@@H]1C(F)F)OC ZINC000660486280 411592892 /nfs/dbraw/zinc/59/28/92/411592892.db2.gz QCFOMPWHNQIQGS-VHSXEESVSA-N 1 2 237.290 1.767 20 0 BDADLO COC[C@H](C[N@H+]1CCCC[C@@H]1C(F)F)OC ZINC000660486280 411592893 /nfs/dbraw/zinc/59/28/93/411592893.db2.gz QCFOMPWHNQIQGS-VHSXEESVSA-N 1 2 237.290 1.767 20 0 BDADLO CCc1nocc1C[NH2+][C@H](C)c1nccn1C ZINC000657792416 411597909 /nfs/dbraw/zinc/59/79/09/411597909.db2.gz DQBRKGBSUGZGCO-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO Cn1cc[nH+]c1CN1CC[C@H]1C(F)(F)F ZINC000660569362 411601560 /nfs/dbraw/zinc/60/15/60/411601560.db2.gz FVGFHXWVAULJBO-ZETCQYMHSA-N 1 2 219.210 1.557 20 0 BDADLO Cc1cn(C)nc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000657811580 411603704 /nfs/dbraw/zinc/60/37/04/411603704.db2.gz DIGUTYIBUZLCPM-UHFFFAOYSA-N 1 2 219.292 1.681 20 0 BDADLO CCC(CC)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660589138 411604536 /nfs/dbraw/zinc/60/45/36/411604536.db2.gz GQMNSMYGNMSMEQ-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CCC(CC)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660589138 411604537 /nfs/dbraw/zinc/60/45/37/411604537.db2.gz GQMNSMYGNMSMEQ-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CC[N@H+](Cc1coc(C)n1)[C@@H]1CCOC1 ZINC000660596414 411605304 /nfs/dbraw/zinc/60/53/04/411605304.db2.gz MHGGBUCMSKHJEC-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@@H+](Cc1coc(C)n1)[C@@H]1CCOC1 ZINC000660596414 411605306 /nfs/dbraw/zinc/60/53/06/411605306.db2.gz MHGGBUCMSKHJEC-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000657821651 411607722 /nfs/dbraw/zinc/60/77/22/411607722.db2.gz YPVUSTKBJQSJQN-MFKMUULPSA-N 1 2 232.283 1.886 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2csnn2)C[C@@H]1C ZINC000660719524 411618525 /nfs/dbraw/zinc/61/85/25/411618525.db2.gz CQFRFWWVLSLOOT-ONGXEEELSA-N 1 2 241.360 1.785 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1C ZINC000660719524 411618526 /nfs/dbraw/zinc/61/85/26/411618526.db2.gz CQFRFWWVLSLOOT-ONGXEEELSA-N 1 2 241.360 1.785 20 0 BDADLO Cc1c(N2CCCC2)nc[nH+]c1N1CCCC1 ZINC000663313110 411621427 /nfs/dbraw/zinc/62/14/27/411621427.db2.gz RMAMDCFMSPMOMY-UHFFFAOYSA-N 1 2 232.331 1.985 20 0 BDADLO COC1([C@H](C)[NH2+]Cc2ccn[nH]2)CCOCC1 ZINC000660836617 411650453 /nfs/dbraw/zinc/65/04/53/411650453.db2.gz CNWIRUZKQFECKN-JTQLQIEISA-N 1 2 239.319 1.083 20 0 BDADLO Cc1cc(NCc2nnc(C3CC3)[nH]2)nc[nH+]1 ZINC000515595421 411656300 /nfs/dbraw/zinc/65/63/00/411656300.db2.gz LMSISXKIHAFHQA-UHFFFAOYSA-N 1 2 230.275 1.393 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CCCCC1 ZINC000660848359 411656345 /nfs/dbraw/zinc/65/63/45/411656345.db2.gz HHFGCCCOGHGPQQ-UHFFFAOYSA-N 1 2 225.292 1.787 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CCCCC1 ZINC000660848359 411656347 /nfs/dbraw/zinc/65/63/47/411656347.db2.gz HHFGCCCOGHGPQQ-UHFFFAOYSA-N 1 2 225.292 1.787 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000660906726 411667743 /nfs/dbraw/zinc/66/77/43/411667743.db2.gz YRTGLGXLOXOADC-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000660906726 411667745 /nfs/dbraw/zinc/66/77/45/411667745.db2.gz YRTGLGXLOXOADC-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO COC[C@@H](C[N@@H+]1CCCC(F)(F)C1)OC ZINC000660913876 411670465 /nfs/dbraw/zinc/67/04/65/411670465.db2.gz WMFPMRPYVZGYLA-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO COC[C@@H](C[N@H+]1CCCC(F)(F)C1)OC ZINC000660913876 411670468 /nfs/dbraw/zinc/67/04/68/411670468.db2.gz WMFPMRPYVZGYLA-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO COC[C@H](C[N@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000660926227 411677193 /nfs/dbraw/zinc/67/71/93/411677193.db2.gz KVMGYVUEQOMQSK-SCZZXKLOSA-N 1 2 243.307 1.032 20 0 BDADLO COC[C@H](C[N@@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000660926227 411677199 /nfs/dbraw/zinc/67/71/99/411677199.db2.gz KVMGYVUEQOMQSK-SCZZXKLOSA-N 1 2 243.307 1.032 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660928642 411680011 /nfs/dbraw/zinc/68/00/11/411680011.db2.gz QWUNMULYUIDGNF-QWRGUYRKSA-N 1 2 249.314 1.796 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660928642 411680016 /nfs/dbraw/zinc/68/00/16/411680016.db2.gz QWUNMULYUIDGNF-QWRGUYRKSA-N 1 2 249.314 1.796 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1(C(F)F)CC1 ZINC000519181652 411680493 /nfs/dbraw/zinc/68/04/93/411680493.db2.gz LAPVVGJCAULPBX-UHFFFAOYSA-N 1 2 244.245 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1(C(F)F)CC1 ZINC000519181652 411680497 /nfs/dbraw/zinc/68/04/97/411680497.db2.gz LAPVVGJCAULPBX-UHFFFAOYSA-N 1 2 244.245 1.525 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000660953663 411687278 /nfs/dbraw/zinc/68/72/78/411687278.db2.gz QVANOMBGIYNSAN-VIFPVBQESA-N 1 2 236.319 1.740 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000660953663 411687282 /nfs/dbraw/zinc/68/72/82/411687282.db2.gz QVANOMBGIYNSAN-VIFPVBQESA-N 1 2 236.319 1.740 20 0 BDADLO CC(C)[C@H](C)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661083775 411696353 /nfs/dbraw/zinc/69/63/53/411696353.db2.gz LDLZOKALMUNMNO-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO CC(C)[C@H](C)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661083775 411696356 /nfs/dbraw/zinc/69/63/56/411696356.db2.gz LDLZOKALMUNMNO-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000528141853 411697107 /nfs/dbraw/zinc/69/71/07/411697107.db2.gz WDNALOXRSWMGPQ-GHMZBOCLSA-N 1 2 249.314 1.306 20 0 BDADLO Cc1nccc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661090143 411701426 /nfs/dbraw/zinc/70/14/26/411701426.db2.gz MRKIKDCNKZXOSC-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nccc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661090143 411701431 /nfs/dbraw/zinc/70/14/31/411701431.db2.gz MRKIKDCNKZXOSC-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO CCOc1ccccc1C[NH+]1CC(OC)C1 ZINC000358453631 170592000 /nfs/dbraw/zinc/59/20/00/170592000.db2.gz MGOWUQFCECMAPQ-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CC[C@H](CO)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071540781 411743244 /nfs/dbraw/zinc/74/32/44/411743244.db2.gz LXCXUIMHTHNQMQ-LLVKDONJSA-N 1 2 247.298 1.143 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3C[C@H]3C2)c1 ZINC000661303648 411748632 /nfs/dbraw/zinc/74/86/32/411748632.db2.gz OZOSQWYZLBXBBW-QWRGUYRKSA-N 1 2 248.330 1.014 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509402 411792465 /nfs/dbraw/zinc/79/24/65/411792465.db2.gz CDOOTMBRCTZKKI-RYUDHWBXSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661509402 411792466 /nfs/dbraw/zinc/79/24/66/411792466.db2.gz CDOOTMBRCTZKKI-RYUDHWBXSA-N 1 2 236.290 1.836 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000661347449 411753692 /nfs/dbraw/zinc/75/36/92/411753692.db2.gz FMPFLZIXQRJEMT-GMTAPVOTSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000661347449 411753696 /nfs/dbraw/zinc/75/36/96/411753696.db2.gz FMPFLZIXQRJEMT-GMTAPVOTSA-N 1 2 248.330 1.740 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3ccc(C)cc3C2)[nH]1 ZINC000661372067 411756506 /nfs/dbraw/zinc/75/65/06/411756506.db2.gz HVPRNUIQOYECPD-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3ccc(C)cc3C2)[nH]1 ZINC000661372067 411756510 /nfs/dbraw/zinc/75/65/10/411756510.db2.gz HVPRNUIQOYECPD-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1c(NCCF)nc[nH+]c1NCCF ZINC000663869729 411765574 /nfs/dbraw/zinc/76/55/74/411765574.db2.gz BNPUHHCVEOMCHL-UHFFFAOYSA-N 1 2 216.235 1.548 20 0 BDADLO CCCc1nccnc1N1CCn2c[nH+]cc2C1 ZINC000663921069 411777437 /nfs/dbraw/zinc/77/74/37/411777437.db2.gz KNVCLJILUXZLIJ-UHFFFAOYSA-N 1 2 243.314 1.646 20 0 BDADLO CCc1csc(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000624621182 411784109 /nfs/dbraw/zinc/78/41/09/411784109.db2.gz WGPXXZIQHNXZKN-SNVBAGLBSA-N 1 2 241.360 1.448 20 0 BDADLO CCc1csc(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000624621182 411784112 /nfs/dbraw/zinc/78/41/12/411784112.db2.gz WGPXXZIQHNXZKN-SNVBAGLBSA-N 1 2 241.360 1.448 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)no1 ZINC000661487487 411785229 /nfs/dbraw/zinc/78/52/29/411785229.db2.gz GOVDSKCXYLXBJY-GXSJLCMTSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)no1 ZINC000661487487 411785232 /nfs/dbraw/zinc/78/52/32/411785232.db2.gz GOVDSKCXYLXBJY-GXSJLCMTSA-N 1 2 239.319 1.361 20 0 BDADLO Cn1nnnc1C[NH+]1CCC(c2ccco2)CC1 ZINC000661163951 411724783 /nfs/dbraw/zinc/72/47/83/411724783.db2.gz RPNOBLNDFYFQCD-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511893 411794717 /nfs/dbraw/zinc/79/47/17/411794717.db2.gz JQQYERMWCYVMHN-CHWSQXEVSA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511893 411794719 /nfs/dbraw/zinc/79/47/19/411794719.db2.gz JQQYERMWCYVMHN-CHWSQXEVSA-N 1 2 248.301 1.851 20 0 BDADLO Cc1noc(C)c1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661538371 411798024 /nfs/dbraw/zinc/79/80/24/411798024.db2.gz IOZXWSTWSZOVKJ-RKDXNWHRSA-N 1 2 236.315 1.948 20 0 BDADLO CCc1cc(NCc2ccc(OC)nn2)nc[nH+]1 ZINC000663985091 411801855 /nfs/dbraw/zinc/80/18/55/411801855.db2.gz ZLMDSKHLIFMGRQ-UHFFFAOYSA-N 1 2 245.286 1.450 20 0 BDADLO CCn1ccc(NC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC000618042784 411807213 /nfs/dbraw/zinc/80/72/13/411807213.db2.gz JTCUYOXNUBLTNY-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO CCn1ccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000527537243 411808028 /nfs/dbraw/zinc/80/80/28/411808028.db2.gz ZXJXIABRBSOEPB-UHFFFAOYSA-N 1 2 247.302 1.518 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661716373 411855670 /nfs/dbraw/zinc/85/56/70/411855670.db2.gz ZJNQNJLXOQFYNV-HOTUBEGUSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661716373 411855672 /nfs/dbraw/zinc/85/56/72/411855672.db2.gz ZJNQNJLXOQFYNV-HOTUBEGUSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661722519 411858191 /nfs/dbraw/zinc/85/81/91/411858191.db2.gz IENOSVPMPPAHFB-OVYXKVPISA-N 1 2 239.344 1.364 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661722519 411858196 /nfs/dbraw/zinc/85/81/96/411858196.db2.gz IENOSVPMPPAHFB-OVYXKVPISA-N 1 2 239.344 1.364 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](C)n3ncnc32)nc[nH+]1 ZINC000664189147 411885213 /nfs/dbraw/zinc/88/52/13/411885213.db2.gz ZICZFBYELGXMKY-DTWKUNHWSA-N 1 2 230.275 1.494 20 0 BDADLO CCc1nc(C[NH2+][C@H]2C[C@H](O)C23CCC3)no1 ZINC000661835034 411900178 /nfs/dbraw/zinc/90/01/78/411900178.db2.gz IJIVYLCWMOJSQL-IUCAKERBSA-N 1 2 237.303 1.025 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661861141 411907351 /nfs/dbraw/zinc/90/73/51/411907351.db2.gz NFHOLNPYUCQWFE-RKDXNWHRSA-N 1 2 224.308 1.521 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661861141 411907352 /nfs/dbraw/zinc/90/73/52/411907352.db2.gz NFHOLNPYUCQWFE-RKDXNWHRSA-N 1 2 224.308 1.521 20 0 BDADLO COCc1n[nH]c(CNc2cc(C)cc[nH+]2)n1 ZINC000664275850 411908580 /nfs/dbraw/zinc/90/85/80/411908580.db2.gz CUBIVQXQADCIMN-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO COCc1nc(CNc2cc(C)cc[nH+]2)n[nH]1 ZINC000664275850 411908584 /nfs/dbraw/zinc/90/85/84/411908584.db2.gz CUBIVQXQADCIMN-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO CCO[C@H]1C[C@H](Nc2nc[nH+]c(C)c2OC)C1 ZINC000664281767 411912259 /nfs/dbraw/zinc/91/22/59/411912259.db2.gz KIWOBYOIWPZKQT-MGCOHNPYSA-N 1 2 237.303 1.773 20 0 BDADLO Cc1cc(N2CCC[C@@H](C)[C@@H]2CCO)nc[nH+]1 ZINC000664286051 411913772 /nfs/dbraw/zinc/91/37/72/411913772.db2.gz KUERQUUQGDWFAA-PWSUYJOCSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nc(N2CCC[C@](O)(C3CC3)C2)cc[nH+]1 ZINC000664350759 411929523 /nfs/dbraw/zinc/92/95/23/411929523.db2.gz OEYNQVVENCMIRW-CYBMUJFWSA-N 1 2 233.315 1.526 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661974191 411930507 /nfs/dbraw/zinc/93/05/07/411930507.db2.gz OTNLKXPHEGDPJX-RKDXNWHRSA-N 1 2 239.344 1.779 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661974191 411930510 /nfs/dbraw/zinc/93/05/10/411930510.db2.gz OTNLKXPHEGDPJX-RKDXNWHRSA-N 1 2 239.344 1.779 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](Cc1ccncc1)CC2 ZINC000623293682 411937110 /nfs/dbraw/zinc/93/71/10/411937110.db2.gz BYINNKLMESOXKZ-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](Cc1ccncc1)CC2 ZINC000623293682 411937113 /nfs/dbraw/zinc/93/71/13/411937113.db2.gz BYINNKLMESOXKZ-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000664386523 411937832 /nfs/dbraw/zinc/93/78/32/411937832.db2.gz OYTHRAUGUQZIAA-UTLUCORTSA-N 1 2 248.330 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000664386523 411937835 /nfs/dbraw/zinc/93/78/35/411937835.db2.gz OYTHRAUGUQZIAA-UTLUCORTSA-N 1 2 248.330 1.916 20 0 BDADLO CO[C@H](CNc1cc[nH+]c(C)n1)[C@@H]1CCOC1 ZINC000664160470 411874904 /nfs/dbraw/zinc/87/49/04/411874904.db2.gz DKNPLXGFSIDERN-GHMZBOCLSA-N 1 2 237.303 1.248 20 0 BDADLO Cn1ncnc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662047015 411966571 /nfs/dbraw/zinc/96/65/71/411966571.db2.gz BUZFQIGCQLDINU-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO c1cc(N2CC[C@@H]3COC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000664555624 411986307 /nfs/dbraw/zinc/98/63/07/411986307.db2.gz GXHLABREGNPWPC-NEPJUHHUSA-N 1 2 245.326 1.827 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@]1(C)CO ZINC000664595693 411993793 /nfs/dbraw/zinc/99/37/93/411993793.db2.gz PSLFCGBKNZDWMS-QMTHXVAHSA-N 1 2 247.342 1.809 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000664775815 412020336 /nfs/dbraw/zinc/02/03/36/412020336.db2.gz WSDDHWCVAZYJCH-JGPRNRPPSA-N 1 2 234.303 1.350 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000664775815 412020338 /nfs/dbraw/zinc/02/03/38/412020338.db2.gz WSDDHWCVAZYJCH-JGPRNRPPSA-N 1 2 234.303 1.350 20 0 BDADLO CCn1ccnc(N[C@@H](C)c2[nH+]ccn2C)c1=O ZINC000664608608 411997803 /nfs/dbraw/zinc/99/78/03/411997803.db2.gz IHYNAUKUXRDHJR-VIFPVBQESA-N 1 2 247.302 1.170 20 0 BDADLO C[C@@H](Nc1cnccn1)c1[nH+]ccn1C ZINC000664608234 411998132 /nfs/dbraw/zinc/99/81/32/411998132.db2.gz CKGIJETXNVLAAE-MRVPVSSYSA-N 1 2 203.249 1.383 20 0 BDADLO C[C@H](Nc1nccn2cnnc12)c1[nH+]ccn1C ZINC000664608674 411998575 /nfs/dbraw/zinc/99/85/75/411998575.db2.gz JJBLXLWXLOYEQB-QMMMGPOBSA-N 1 2 243.274 1.031 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662144708 412006583 /nfs/dbraw/zinc/00/65/83/412006583.db2.gz UBWUOLNKNZCLQD-IQJOONFLSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662144708 412006587 /nfs/dbraw/zinc/00/65/87/412006587.db2.gz UBWUOLNKNZCLQD-IQJOONFLSA-N 1 2 241.360 1.549 20 0 BDADLO FCCOCCNc1cc(NC2CC2)nc[nH+]1 ZINC000664677867 412008771 /nfs/dbraw/zinc/00/87/71/412008771.db2.gz MLLMQXANMIYHHL-UHFFFAOYSA-N 1 2 240.282 1.449 20 0 BDADLO FCCOCCNc1cc(NC2CC2)[nH+]cn1 ZINC000664677867 412008774 /nfs/dbraw/zinc/00/87/74/412008774.db2.gz MLLMQXANMIYHHL-UHFFFAOYSA-N 1 2 240.282 1.449 20 0 BDADLO Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)nc[nH+]1 ZINC000664418753 411949108 /nfs/dbraw/zinc/94/91/08/411949108.db2.gz OPHAINFWSUDZKN-ZYHUDNBSSA-N 1 2 219.288 1.258 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033707 411950055 /nfs/dbraw/zinc/95/00/55/411950055.db2.gz KPQPCAHUCPKTGL-RKDXNWHRSA-N 1 2 225.317 1.006 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033707 411950058 /nfs/dbraw/zinc/95/00/58/411950058.db2.gz KPQPCAHUCPKTGL-RKDXNWHRSA-N 1 2 225.317 1.006 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC000664419790 411950201 /nfs/dbraw/zinc/95/02/01/411950201.db2.gz VLELOFPTNMFHMF-GXFFZTMASA-N 1 2 249.314 1.266 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc[nH+]c3ccncc31)CC2 ZINC000664421898 411950971 /nfs/dbraw/zinc/95/09/71/411950971.db2.gz HIHWIBKRHUHVGZ-IINYFYTJSA-N 1 2 241.294 1.591 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1nc[nH+]c(N)c1Cl ZINC000664439521 411958192 /nfs/dbraw/zinc/95/81/92/411958192.db2.gz OJLOYQFSTGTYQG-RNFRBKRXSA-N 1 2 242.710 1.062 20 0 BDADLO C[C@H](NC(=O)c1nccs1)c1[nH+]ccn1C ZINC000664455281 411963444 /nfs/dbraw/zinc/96/34/44/411963444.db2.gz WWBSHPKXRQNWFV-ZETCQYMHSA-N 1 2 236.300 1.368 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCc3n[nH]cc3C2)o1 ZINC000664863063 412034759 /nfs/dbraw/zinc/03/47/59/412034759.db2.gz QRQWKKJGMBYSAI-UHFFFAOYSA-N 1 2 232.287 1.655 20 0 BDADLO Cc1cnc(C[N@H+]2CCCc3n[nH]cc3C2)o1 ZINC000664863063 412034763 /nfs/dbraw/zinc/03/47/63/412034763.db2.gz QRQWKKJGMBYSAI-UHFFFAOYSA-N 1 2 232.287 1.655 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H](O)C(C)C)s1 ZINC000662256405 412050936 /nfs/dbraw/zinc/05/09/36/412050936.db2.gz VQLOKFRILZBZHS-VIFPVBQESA-N 1 2 229.349 1.295 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H](O)C(C)C)s1 ZINC000662256405 412050938 /nfs/dbraw/zinc/05/09/38/412050938.db2.gz VQLOKFRILZBZHS-VIFPVBQESA-N 1 2 229.349 1.295 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CC[C@@H](C)O2)s1 ZINC000662257198 412052034 /nfs/dbraw/zinc/05/20/34/412052034.db2.gz QWPPLPNYYLDWKB-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CC[C@@H](C)O2)s1 ZINC000662257198 412052036 /nfs/dbraw/zinc/05/20/36/412052036.db2.gz QWPPLPNYYLDWKB-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2=CCSC2)o1 ZINC000662269484 412060611 /nfs/dbraw/zinc/06/06/11/412060611.db2.gz HLJZNKAPJKASJT-UHFFFAOYSA-N 1 2 239.344 1.737 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2=CCSC2)o1 ZINC000662269484 412060615 /nfs/dbraw/zinc/06/06/15/412060615.db2.gz HLJZNKAPJKASJT-UHFFFAOYSA-N 1 2 239.344 1.737 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336514749 171019771 /nfs/dbraw/zinc/01/97/71/171019771.db2.gz NXVAREWNVDMOBD-NXEZZACHSA-N 1 2 233.315 1.841 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)CC1=CCSC1 ZINC000662267053 412058610 /nfs/dbraw/zinc/05/86/10/412058610.db2.gz QIENRKYABKZBQV-SECBINFHSA-N 1 2 238.360 1.481 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)CC1=CCSC1 ZINC000662267053 412058613 /nfs/dbraw/zinc/05/86/13/412058613.db2.gz QIENRKYABKZBQV-SECBINFHSA-N 1 2 238.360 1.481 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000269150301 171032607 /nfs/dbraw/zinc/03/26/07/171032607.db2.gz NEKLNVRMSGNSGW-ZJUUUORDSA-N 1 2 235.287 1.560 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H](C)O1 ZINC000111274627 171076157 /nfs/dbraw/zinc/07/61/57/171076157.db2.gz HBRGBSMMBQVOEJ-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H](C)O1 ZINC000111274627 171076160 /nfs/dbraw/zinc/07/61/60/171076160.db2.gz HBRGBSMMBQVOEJ-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H](C)O1 ZINC000075721670 171090700 /nfs/dbraw/zinc/09/07/00/171090700.db2.gz XYLMCJBSNJOYOR-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H](C)O1 ZINC000075721670 171090703 /nfs/dbraw/zinc/09/07/03/171090703.db2.gz XYLMCJBSNJOYOR-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H](C)O1 ZINC000336682247 171092216 /nfs/dbraw/zinc/09/22/16/171092216.db2.gz DBXUKDADSPIRHD-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H](C)O1 ZINC000336682247 171092220 /nfs/dbraw/zinc/09/22/20/171092220.db2.gz DBXUKDADSPIRHD-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)CCCO1 ZINC000329790956 171093419 /nfs/dbraw/zinc/09/34/19/171093419.db2.gz UGUKEMQNNLASSI-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2noc(C)n2)CCCO1 ZINC000329790956 171093422 /nfs/dbraw/zinc/09/34/22/171093422.db2.gz UGUKEMQNNLASSI-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)o2)CCCO1 ZINC000331650012 171094280 /nfs/dbraw/zinc/09/42/80/171094280.db2.gz ONJDYIJGKAYEOA-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)o2)CCCO1 ZINC000331650012 171094281 /nfs/dbraw/zinc/09/42/81/171094281.db2.gz ONJDYIJGKAYEOA-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000115577636 171105531 /nfs/dbraw/zinc/10/55/31/171105531.db2.gz CRRUPYRHMHIXOH-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)NC(C)(C)C ZINC000115577636 171105533 /nfs/dbraw/zinc/10/55/33/171105533.db2.gz CRRUPYRHMHIXOH-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000115576034 171106467 /nfs/dbraw/zinc/10/64/67/171106467.db2.gz NZUQMHMJRFWIPO-CYBMUJFWSA-N 1 2 248.326 1.396 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000115576034 171106469 /nfs/dbraw/zinc/10/64/69/171106469.db2.gz NZUQMHMJRFWIPO-CYBMUJFWSA-N 1 2 248.326 1.396 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288029936 171134291 /nfs/dbraw/zinc/13/42/91/171134291.db2.gz CYDZJZLFVZCURR-RKDXNWHRSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333845871 171138646 /nfs/dbraw/zinc/13/86/46/171138646.db2.gz OHKGYSYPCUMNLG-DBIOUOCHSA-N 1 2 248.330 1.987 20 0 BDADLO CC[C@@H]1C[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000310012238 171142477 /nfs/dbraw/zinc/14/24/77/171142477.db2.gz JANIAXSKUPDETQ-RKDXNWHRSA-N 1 2 221.308 1.456 20 0 BDADLO CC[C@@H]1C[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000310012238 171142479 /nfs/dbraw/zinc/14/24/79/171142479.db2.gz JANIAXSKUPDETQ-RKDXNWHRSA-N 1 2 221.308 1.456 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000333573733 171152882 /nfs/dbraw/zinc/15/28/82/171152882.db2.gz IZFNVMNPKYDDCU-NEPJUHHUSA-N 1 2 249.314 1.501 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnc(C)cn1 ZINC000336701531 171206593 /nfs/dbraw/zinc/20/65/93/171206593.db2.gz LPVGECLZVLAHQN-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cnc(C)cn1 ZINC000336701531 171206596 /nfs/dbraw/zinc/20/65/96/171206596.db2.gz LPVGECLZVLAHQN-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@H](C)CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000375451603 171259291 /nfs/dbraw/zinc/25/92/91/171259291.db2.gz WWSWJSFVYVVULU-JTQLQIEISA-N 1 2 235.331 1.970 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560177 171324905 /nfs/dbraw/zinc/32/49/05/171324905.db2.gz MXHOEIRXBNNSRS-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560177 171324906 /nfs/dbraw/zinc/32/49/06/171324906.db2.gz MXHOEIRXBNNSRS-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084198 171332256 /nfs/dbraw/zinc/33/22/56/171332256.db2.gz ASUKYXPWODLORR-WHOHXGKFSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084198 171332257 /nfs/dbraw/zinc/33/22/57/171332257.db2.gz ASUKYXPWODLORR-WHOHXGKFSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)C[C@](C)(C(F)F)O1 ZINC000662360098 412123222 /nfs/dbraw/zinc/12/32/22/412123222.db2.gz PXSBGGDENASLNR-GZMMTYOYSA-N 1 2 245.273 1.654 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)C[C@](C)(C(F)F)O1 ZINC000662360098 412123225 /nfs/dbraw/zinc/12/32/25/412123225.db2.gz PXSBGGDENASLNR-GZMMTYOYSA-N 1 2 245.273 1.654 20 0 BDADLO O=C1CCCN1[C@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000665252874 412197899 /nfs/dbraw/zinc/19/78/99/412197899.db2.gz PTMKYMDOJRYUOM-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO O=C1CCCN1[C@H]1CCC[N@H+](CC(F)F)CC1 ZINC000665252874 412197902 /nfs/dbraw/zinc/19/79/02/412197902.db2.gz PTMKYMDOJRYUOM-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1CC2(CC2)C1 ZINC000665475041 412332490 /nfs/dbraw/zinc/33/24/90/412332490.db2.gz MMZFSUDOWCZLKJ-UHFFFAOYSA-N 1 2 233.315 1.569 20 0 BDADLO CCCCc1cc(NC[C@@H](O)COC)nc[nH+]1 ZINC000631265842 412346967 /nfs/dbraw/zinc/34/69/67/412346967.db2.gz PUQJCPUFSOPVQJ-LLVKDONJSA-N 1 2 239.319 1.238 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC2CC1(C)C2 ZINC000663241527 412398827 /nfs/dbraw/zinc/39/88/27/412398827.db2.gz IPSMWSUUUFWZBO-XSRFYTQQSA-N 1 2 248.330 1.466 20 0 BDADLO CCCc1nccnc1NCc1[nH+]ccn1C ZINC000663259044 412402527 /nfs/dbraw/zinc/40/25/27/412402527.db2.gz WMKOEJBOCQTBTL-UHFFFAOYSA-N 1 2 231.303 1.775 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)nc1 ZINC000336326263 171795928 /nfs/dbraw/zinc/79/59/28/171795928.db2.gz WNGGLYAGSOOMOM-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)NCC2(C)C)nc1 ZINC000336326263 171795930 /nfs/dbraw/zinc/79/59/30/171795930.db2.gz WNGGLYAGSOOMOM-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccco2)[nH]1 ZINC000127144286 172005525 /nfs/dbraw/zinc/00/55/25/172005525.db2.gz VHQVZMBLLGXPMZ-QMMMGPOBSA-N 1 2 220.276 1.811 20 0 BDADLO CCc1nnc([C@H](C)NCc2[nH+]cc(C)n2C)[nH]1 ZINC000341268775 172006543 /nfs/dbraw/zinc/00/65/43/172006543.db2.gz ZOYFNXCNYRJRHT-VIFPVBQESA-N 1 2 248.334 1.260 20 0 BDADLO CCc1ncnc(NCc2[nH+]ccn2C)c1F ZINC000218006003 172032912 /nfs/dbraw/zinc/03/29/12/172032912.db2.gz VOAGHOQEHHRALY-UHFFFAOYSA-N 1 2 235.266 1.524 20 0 BDADLO CCc1nn(C)cc1N[C@H]1CCn2cc[nH+]c21 ZINC000294142925 172044562 /nfs/dbraw/zinc/04/45/62/172044562.db2.gz PKGHJVBLJUCNEW-JTQLQIEISA-N 1 2 231.303 1.736 20 0 BDADLO CCc1nnc(C[N@H+]2CC=C(COC)CC2)o1 ZINC000187692559 172049172 /nfs/dbraw/zinc/04/91/72/172049172.db2.gz RATDDTYWENCBKF-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO CCc1nnc(C[N@@H+]2CC=C(COC)CC2)o1 ZINC000187692559 172049174 /nfs/dbraw/zinc/04/91/74/172049174.db2.gz RATDDTYWENCBKF-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)o1 ZINC000336721297 172049540 /nfs/dbraw/zinc/04/95/40/172049540.db2.gz XOHHKDXFHVLRLW-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)o1 ZINC000336721297 172049542 /nfs/dbraw/zinc/04/95/42/172049542.db2.gz XOHHKDXFHVLRLW-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nnc(NCc2c[nH+]cn2C)s1 ZINC000181475151 172060611 /nfs/dbraw/zinc/06/06/11/172060611.db2.gz MRYKEYHZMJFJHC-UHFFFAOYSA-N 1 2 223.305 1.446 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CCn2cccn2)o1 ZINC000111282234 172066687 /nfs/dbraw/zinc/06/66/87/172066687.db2.gz QSZYWUSNADWNMV-JTQLQIEISA-N 1 2 249.318 1.522 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CCn2cccn2)o1 ZINC000111282234 172066690 /nfs/dbraw/zinc/06/66/90/172066690.db2.gz QSZYWUSNADWNMV-JTQLQIEISA-N 1 2 249.318 1.522 20 0 BDADLO CCc1noc(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000162589385 172075060 /nfs/dbraw/zinc/07/50/60/172075060.db2.gz YRZKAABSDMZMAU-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1noc(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000162589385 172075061 /nfs/dbraw/zinc/07/50/61/172075061.db2.gz YRZKAABSDMZMAU-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1ccn(C)n1 ZINC000293129945 172079055 /nfs/dbraw/zinc/07/90/55/172079055.db2.gz ZQOKIRZZPFBFAA-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1ncc[nH]1 ZINC000339437514 172079805 /nfs/dbraw/zinc/07/98/05/172079805.db2.gz LKEVPDLEHBHPQQ-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CCc1noc(C)c1CNCc1[nH]cc[nH+]1 ZINC000339437514 172079806 /nfs/dbraw/zinc/07/98/06/172079806.db2.gz LKEVPDLEHBHPQQ-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CCc1noc([C@@H](C)[NH2+]CCn2cccn2)n1 ZINC000105931772 172089864 /nfs/dbraw/zinc/08/98/64/172089864.db2.gz CCTYSCYOUJUYQV-SECBINFHSA-N 1 2 235.291 1.179 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000374341557 172090916 /nfs/dbraw/zinc/09/09/16/172090916.db2.gz PBKYBZXOOIEVSV-ZJUUUORDSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCOC[C@H](C)C2)n1 ZINC000374341557 172090919 /nfs/dbraw/zinc/09/09/19/172090919.db2.gz PBKYBZXOOIEVSV-ZJUUUORDSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1nocc1C[NH2+]Cc1nccs1 ZINC000339186472 172101058 /nfs/dbraw/zinc/10/10/58/172101058.db2.gz RBNIAWGZHZIZPG-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO CCc1occc1C(=O)NCc1[nH]cc[nH+]1 ZINC000234157338 172117158 /nfs/dbraw/zinc/11/71/58/172117158.db2.gz IVVGRFWWXCLIKP-UHFFFAOYSA-N 1 2 219.244 1.495 20 0 BDADLO CCc1onc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284442267 172126046 /nfs/dbraw/zinc/12/60/46/172126046.db2.gz QGOQWZHEDFPPIN-SNAWJCMRSA-N 1 2 246.270 1.920 20 0 BDADLO CCc1onc(C)c1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000270439127 172126848 /nfs/dbraw/zinc/12/68/48/172126848.db2.gz WXRZHJIHDBFMKO-SECBINFHSA-N 1 2 237.303 1.578 20 0 BDADLO CCc1onc(C)c1NC(=O)[C@H]1CCC[N@H+]1C ZINC000270439127 172126849 /nfs/dbraw/zinc/12/68/49/172126849.db2.gz WXRZHJIHDBFMKO-SECBINFHSA-N 1 2 237.303 1.578 20 0 BDADLO CCn1cc(C[NH+]2CC(C)(OC)C2)cn1 ZINC000362312617 172161407 /nfs/dbraw/zinc/16/14/07/172161407.db2.gz LRFKCAMNEVBMOF-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[NH+]2CC(n3cc(C)cn3)C2)cn1 ZINC000361255481 172163732 /nfs/dbraw/zinc/16/37/32/172163732.db2.gz PZZYKCWVADOQKQ-UHFFFAOYSA-N 1 2 245.330 1.465 20 0 BDADLO CCn1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000126875251 172167970 /nfs/dbraw/zinc/16/79/70/172167970.db2.gz WOIVYWXGGXYJQV-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc([C@H](C)NC(=O)c2c[nH+]c(C)[nH]2)cn1 ZINC000297295506 172196535 /nfs/dbraw/zinc/19/65/35/172196535.db2.gz XLZZNEVSRWUAAB-QMMMGPOBSA-N 1 2 247.302 1.426 20 0 BDADLO CCn1ccnc1C[N@H+](C)C[C@H](C)OC ZINC000336713564 172217980 /nfs/dbraw/zinc/21/79/80/172217980.db2.gz VOOHMXQLOPZSFZ-JTQLQIEISA-N 1 2 211.309 1.370 20 0 BDADLO CCn1ccnc1C[N@@H+](C)C[C@H](C)OC ZINC000336713564 172217983 /nfs/dbraw/zinc/21/79/83/172217983.db2.gz VOOHMXQLOPZSFZ-JTQLQIEISA-N 1 2 211.309 1.370 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000373446267 172220423 /nfs/dbraw/zinc/22/04/23/172220423.db2.gz CETKHLBANRNMSB-PWSUYJOCSA-N 1 2 249.314 1.040 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccccn1 ZINC000295733759 172221696 /nfs/dbraw/zinc/22/16/96/172221696.db2.gz LVCUFPIOHUKZKO-UHFFFAOYSA-N 1 2 230.271 1.228 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)C ZINC000295526853 172221902 /nfs/dbraw/zinc/22/19/02/172221902.db2.gz BGBXSVOXQNMTKW-UHFFFAOYSA-N 1 2 209.293 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cccc(F)n1 ZINC000295757324 172222173 /nfs/dbraw/zinc/22/21/73/172222173.db2.gz NXKFYOLMHZQXNE-UHFFFAOYSA-N 1 2 248.261 1.367 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000373446265 172222227 /nfs/dbraw/zinc/22/22/27/172222227.db2.gz CETKHLBANRNMSB-CMPLNLGQSA-N 1 2 249.314 1.040 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(OC)ncn1 ZINC000294906873 172223486 /nfs/dbraw/zinc/22/34/86/172223486.db2.gz FHYIQSVXOOABEV-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCC=C(C)C2)n1 ZINC000296674566 172244954 /nfs/dbraw/zinc/24/49/54/172244954.db2.gz GKZYSXRQUPADFS-UHFFFAOYSA-N 1 2 220.320 1.758 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCC=C(C)C2)n1 ZINC000296674566 172244958 /nfs/dbraw/zinc/24/49/58/172244958.db2.gz GKZYSXRQUPADFS-UHFFFAOYSA-N 1 2 220.320 1.758 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)Cc2cc[nH]n2)c1C ZINC000353573949 172245865 /nfs/dbraw/zinc/24/58/65/172245865.db2.gz LQYRPZXHRSUMIG-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)Cc2cc[nH]n2)c1C ZINC000353573949 172245866 /nfs/dbraw/zinc/24/58/66/172245866.db2.gz LQYRPZXHRSUMIG-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CCn1ncc(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000293308051 172254332 /nfs/dbraw/zinc/25/43/32/172254332.db2.gz GXDLAFAHMADAMS-UHFFFAOYSA-N 1 2 231.259 1.254 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000190033297 172265859 /nfs/dbraw/zinc/26/58/59/172265859.db2.gz YEQMDXZHNQWGME-ZDUSSCGKSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190033297 172265861 /nfs/dbraw/zinc/26/58/61/172265861.db2.gz YEQMDXZHNQWGME-ZDUSSCGKSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000355221229 172268620 /nfs/dbraw/zinc/26/86/20/172268620.db2.gz OBKSHEFWJQSNRE-SMDDNHRTSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000355221229 172268621 /nfs/dbraw/zinc/26/86/21/172268621.db2.gz OBKSHEFWJQSNRE-SMDDNHRTSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000122591199 172268938 /nfs/dbraw/zinc/26/89/38/172268938.db2.gz ZGYIJLZLBTURLF-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000122591199 172268941 /nfs/dbraw/zinc/26/89/41/172268941.db2.gz ZGYIJLZLBTURLF-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000353590781 172282203 /nfs/dbraw/zinc/28/22/03/172282203.db2.gz VDWDJNDLEISJEF-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CN(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000082276031 172376574 /nfs/dbraw/zinc/37/65/74/172376574.db2.gz IHUKRYBYTDGPNO-UHFFFAOYSA-N 1 2 222.292 1.271 20 0 BDADLO CN(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082276029 172378056 /nfs/dbraw/zinc/37/80/56/172378056.db2.gz DFTYMGOHGTZHDB-SECBINFHSA-N 1 2 222.292 1.271 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665848293 487624670 /nfs/dbraw/zinc/62/46/70/487624670.db2.gz MYZWNCQTYNYXRF-VHSXEESVSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665848293 487624674 /nfs/dbraw/zinc/62/46/74/487624674.db2.gz MYZWNCQTYNYXRF-VHSXEESVSA-N 1 2 235.331 1.675 20 0 BDADLO CN(C)C(=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049715232 172391440 /nfs/dbraw/zinc/39/14/40/172391440.db2.gz DNBXFWWLFCSORM-UHFFFAOYSA-N 1 2 244.298 1.724 20 0 BDADLO CN(CCC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000288207387 172680052 /nfs/dbraw/zinc/68/00/52/172680052.db2.gz OMAOSERBXDKGLU-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO C[NH+]1CCN(C(=O)CSC2CCC2)CC1 ZINC000336273369 173066749 /nfs/dbraw/zinc/06/67/49/173066749.db2.gz DUMSMOFRBDMESZ-UHFFFAOYSA-N 1 2 228.361 1.046 20 0 BDADLO C[NH+]1CCN(C(=O)c2sccc2Cl)CC1 ZINC000082303454 173072680 /nfs/dbraw/zinc/07/26/80/173072680.db2.gz LXQNEJDHQUIFHL-UHFFFAOYSA-N 1 2 244.747 1.789 20 0 BDADLO C[NH+]1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000052096923 173085530 /nfs/dbraw/zinc/08/55/30/173085530.db2.gz OQGQWTCJZOXBIC-CQSZACIVSA-N 1 2 234.343 1.142 20 0 BDADLO CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000022580419 173088674 /nfs/dbraw/zinc/08/86/74/173088674.db2.gz WWRGCQNENSFLMG-UHFFFAOYSA-N 1 2 229.327 1.915 20 0 BDADLO CN1CC[N@H+](Cc2ccsc2)C(C)(C)C1=O ZINC000093642775 173089287 /nfs/dbraw/zinc/08/92/87/173089287.db2.gz JFKNHSRVTJIRNN-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CN1CC[N@@H+](Cc2ccsc2)C(C)(C)C1=O ZINC000093642775 173089290 /nfs/dbraw/zinc/08/92/90/173089290.db2.gz JFKNHSRVTJIRNN-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CN1CC[N@H+](Cc2ccccn2)C(C)(C)C1=O ZINC000268021366 173090524 /nfs/dbraw/zinc/09/05/24/173090524.db2.gz JEUBKMDMCCGBSS-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN1CC[N@@H+](Cc2ccccn2)C(C)(C)C1=O ZINC000268021366 173090525 /nfs/dbraw/zinc/09/05/25/173090525.db2.gz JEUBKMDMCCGBSS-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc([C@H]3CC3(C)C)no2)C1 ZINC000333626745 173109051 /nfs/dbraw/zinc/10/90/51/173109051.db2.gz FXFUJXVCOATUFF-BDAKNGLRSA-N 1 2 237.303 1.586 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc([C@H]3CC3(C)C)no2)C1 ZINC000333626745 173109053 /nfs/dbraw/zinc/10/90/53/173109053.db2.gz FXFUJXVCOATUFF-BDAKNGLRSA-N 1 2 237.303 1.586 20 0 BDADLO CN1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000302770897 173155922 /nfs/dbraw/zinc/15/59/22/173155922.db2.gz MUXSJYLPBSDULL-JTQLQIEISA-N 1 2 246.314 1.387 20 0 BDADLO C[N@@H+]1CCc2ncnc(NCC(C)(C)C)c2C1 ZINC000299636812 173175448 /nfs/dbraw/zinc/17/54/48/173175448.db2.gz UQRVOJPFVGVACD-UHFFFAOYSA-N 1 2 234.347 1.923 20 0 BDADLO C[N@H+]1CCc2ncnc(NCC(C)(C)C)c2C1 ZINC000299636812 173175449 /nfs/dbraw/zinc/17/54/49/173175449.db2.gz UQRVOJPFVGVACD-UHFFFAOYSA-N 1 2 234.347 1.923 20 0 BDADLO CNC(=O)C1CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302215200 173226953 /nfs/dbraw/zinc/22/69/53/173226953.db2.gz OOCLPZIGBAGMFQ-UHFFFAOYSA-N 1 2 248.330 1.091 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127725347 173270089 /nfs/dbraw/zinc/27/00/89/173270089.db2.gz DBPGYAMGWLUFGD-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127725347 173270091 /nfs/dbraw/zinc/27/00/91/173270091.db2.gz DBPGYAMGWLUFGD-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000267440408 173271724 /nfs/dbraw/zinc/27/17/24/173271724.db2.gz YRJPAWUGXOTPQP-UHFFFAOYSA-N 1 2 247.220 1.283 20 0 BDADLO CNC(=O)Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715137 173283812 /nfs/dbraw/zinc/28/38/12/173283812.db2.gz TVEMUPOCZMTAJN-UHFFFAOYSA-N 1 2 244.298 1.310 20 0 BDADLO COc1ccc2nc(C[N@H+]3CC=CCC3)[nH]c2n1 ZINC000680635288 487626432 /nfs/dbraw/zinc/62/64/32/487626432.db2.gz NFXCENOIQUEECB-UHFFFAOYSA-N 1 2 244.298 1.728 20 0 BDADLO COc1ccc2nc(C[N@@H+]3CC=CCC3)[nH]c2n1 ZINC000680635288 487626437 /nfs/dbraw/zinc/62/64/37/487626437.db2.gz NFXCENOIQUEECB-UHFFFAOYSA-N 1 2 244.298 1.728 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000082797678 173593042 /nfs/dbraw/zinc/59/30/42/173593042.db2.gz RZYDDFXAQWBDJC-SNVBAGLBSA-N 1 2 219.284 1.606 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000082797678 173593043 /nfs/dbraw/zinc/59/30/43/173593043.db2.gz RZYDDFXAQWBDJC-SNVBAGLBSA-N 1 2 219.284 1.606 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000336773946 173803984 /nfs/dbraw/zinc/80/39/84/173803984.db2.gz WNJLMXGLAIYBFQ-DVVUODLYSA-N 1 2 227.304 1.095 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662227798 487627947 /nfs/dbraw/zinc/62/79/47/487627947.db2.gz QWODIKWZKFTRSM-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](O)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662227798 487627951 /nfs/dbraw/zinc/62/79/51/487627951.db2.gz QWODIKWZKFTRSM-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO COC1([C@H](C)NC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000331974062 174010300 /nfs/dbraw/zinc/01/03/00/174010300.db2.gz MDIUGUGRLGXSRR-QMMMGPOBSA-N 1 2 237.303 1.406 20 0 BDADLO COCC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000293844384 174070685 /nfs/dbraw/zinc/07/06/85/174070685.db2.gz WUQXGKSQJAGMJJ-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO COCC(C)(C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000330675685 174078241 /nfs/dbraw/zinc/07/82/41/174078241.db2.gz HOWPIDQWPQKCBH-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO COCC(C)(C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000330675685 174078245 /nfs/dbraw/zinc/07/82/45/174078245.db2.gz HOWPIDQWPQKCBH-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO COCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000331122943 174136195 /nfs/dbraw/zinc/13/61/95/174136195.db2.gz MUHNWBLRTCGEIS-UHFFFAOYSA-N 1 2 208.261 1.673 20 0 BDADLO COCC[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000054354557 174280540 /nfs/dbraw/zinc/28/05/40/174280540.db2.gz HXSVTPNLXZSIRO-UHFFFAOYSA-N 1 2 247.298 1.815 20 0 BDADLO COCC[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000054354557 174280542 /nfs/dbraw/zinc/28/05/42/174280542.db2.gz HXSVTPNLXZSIRO-UHFFFAOYSA-N 1 2 247.298 1.815 20 0 BDADLO COCC[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279350113 174282045 /nfs/dbraw/zinc/28/20/45/174282045.db2.gz FLDMRCFTTZIANT-VIFPVBQESA-N 1 2 225.292 1.130 20 0 BDADLO COCC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279350113 174282046 /nfs/dbraw/zinc/28/20/46/174282046.db2.gz FLDMRCFTTZIANT-VIFPVBQESA-N 1 2 225.292 1.130 20 0 BDADLO COCCN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000277637900 174283323 /nfs/dbraw/zinc/28/33/23/174283323.db2.gz XOEMJWUEGVZQQR-UHFFFAOYSA-N 1 2 236.319 1.159 20 0 BDADLO COCCN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000277637900 174283325 /nfs/dbraw/zinc/28/33/25/174283325.db2.gz XOEMJWUEGVZQQR-UHFFFAOYSA-N 1 2 236.319 1.159 20 0 BDADLO COCC[N@H+](Cc1ccno1)Cc1ccccn1 ZINC000287558322 174298566 /nfs/dbraw/zinc/29/85/66/174298566.db2.gz WTBFYGUJRPNHLA-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO COCC[N@@H+](Cc1ccno1)Cc1ccccn1 ZINC000287558322 174298567 /nfs/dbraw/zinc/29/85/67/174298567.db2.gz WTBFYGUJRPNHLA-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO COCCN1CC[NH+](Cc2ccncc2C)CC1 ZINC000294567124 174310728 /nfs/dbraw/zinc/31/07/28/174310728.db2.gz NMKNOJXMPZNUBF-UHFFFAOYSA-N 1 2 249.358 1.154 20 0 BDADLO COCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000183599998 174318335 /nfs/dbraw/zinc/31/83/35/174318335.db2.gz UJHPELSPYQTRPH-ZDUSSCGKSA-N 1 2 249.310 1.233 20 0 BDADLO COCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000183599998 174318337 /nfs/dbraw/zinc/31/83/37/174318337.db2.gz UJHPELSPYQTRPH-ZDUSSCGKSA-N 1 2 249.310 1.233 20 0 BDADLO COCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000244092861 174340694 /nfs/dbraw/zinc/34/06/94/174340694.db2.gz UEUDQJIQYKTAGS-UHFFFAOYSA-N 1 2 222.292 1.135 20 0 BDADLO COCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000244092861 174340696 /nfs/dbraw/zinc/34/06/96/174340696.db2.gz UEUDQJIQYKTAGS-UHFFFAOYSA-N 1 2 222.292 1.135 20 0 BDADLO COCCO[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC000189695794 174366121 /nfs/dbraw/zinc/36/61/21/174366121.db2.gz MKRIOVOGCGFUBF-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COCCO[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000189695794 174366122 /nfs/dbraw/zinc/36/61/22/174366122.db2.gz MKRIOVOGCGFUBF-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COC[C@@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353676699 174454510 /nfs/dbraw/zinc/45/45/10/174454510.db2.gz LWSOUBIIDSVNDT-SECBINFHSA-N 1 2 248.286 1.491 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299626509 174676255 /nfs/dbraw/zinc/67/62/55/174676255.db2.gz FUFOFRRXCGLGPV-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO CO[C@@H](C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000302619484 174707245 /nfs/dbraw/zinc/70/72/45/174707245.db2.gz DEYSCZVWGVUEHV-QMMMGPOBSA-N 1 2 232.287 1.659 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000292969309 174731891 /nfs/dbraw/zinc/73/18/91/174731891.db2.gz KEBWBUKEARSSEW-NSHDSACASA-N 1 2 209.293 1.233 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000271924132 175101323 /nfs/dbraw/zinc/10/13/23/175101323.db2.gz KYZVGEAVTWCXKW-UONOGXRCSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000271924132 175101324 /nfs/dbraw/zinc/10/13/24/175101324.db2.gz KYZVGEAVTWCXKW-UONOGXRCSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC000272051850 175102035 /nfs/dbraw/zinc/10/20/35/175102035.db2.gz QNAZVUHCKFYZJX-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC000272051850 175102036 /nfs/dbraw/zinc/10/20/36/175102036.db2.gz QNAZVUHCKFYZJX-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[NH2+]Cc2[nH]ncc2C)cc1O ZINC000352824480 175108817 /nfs/dbraw/zinc/10/88/17/175108817.db2.gz QSCXCRZMXXPCKK-UHFFFAOYSA-N 1 2 247.298 1.722 20 0 BDADLO COc1ccc(C[NH2+]Cc2n[nH]cc2C)cc1O ZINC000352824480 175108818 /nfs/dbraw/zinc/10/88/18/175108818.db2.gz QSCXCRZMXXPCKK-UHFFFAOYSA-N 1 2 247.298 1.722 20 0 BDADLO COc1ccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368334532 175172796 /nfs/dbraw/zinc/17/27/96/175172796.db2.gz HSHIDKZZODQYMC-UONOGXRCSA-N 1 2 249.310 1.547 20 0 BDADLO COc1ccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368334532 175172798 /nfs/dbraw/zinc/17/27/98/175172798.db2.gz HSHIDKZZODQYMC-UONOGXRCSA-N 1 2 249.310 1.547 20 0 BDADLO COc1cccc(CN2CCn3c[nH+]cc3C2)c1 ZINC000291686642 175260085 /nfs/dbraw/zinc/26/00/85/175260085.db2.gz XTRRQMMHPVGGIF-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccco2)n1 ZINC000069606609 175265682 /nfs/dbraw/zinc/26/56/82/175265682.db2.gz BEGRYQCCJQYSFG-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO COc1cccc([C@H](C)[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000336297768 175292818 /nfs/dbraw/zinc/29/28/18/175292818.db2.gz KBAGWOXFJJMMBJ-QWRGUYRKSA-N 1 2 248.326 1.577 20 0 BDADLO COc1cccc([C@H](C)[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000336297768 175292819 /nfs/dbraw/zinc/29/28/19/175292819.db2.gz KBAGWOXFJJMMBJ-QWRGUYRKSA-N 1 2 248.326 1.577 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000235016615 175293704 /nfs/dbraw/zinc/29/37/04/175293704.db2.gz CUYNZNVPTCCFFE-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1cccc2c(N3CC(O)C3)cc[nH+]c12 ZINC000275415613 175299828 /nfs/dbraw/zinc/29/98/28/175299828.db2.gz BHAURVWNEQNNGM-UHFFFAOYSA-N 1 2 230.267 1.424 20 0 BDADLO COc1cccc2c(NCCO)cc[nH+]c12 ZINC000275493603 175300044 /nfs/dbraw/zinc/30/00/44/175300044.db2.gz LHHKXSTWCOSRRQ-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO COc1cccc2c1CC[N@@H+]([C@H]1CCOC1=O)C2 ZINC000182725418 175301434 /nfs/dbraw/zinc/30/14/34/175301434.db2.gz GGQGRMFKDJOIIY-LBPRGKRZSA-N 1 2 247.294 1.369 20 0 BDADLO COc1cccc2c1CC[N@H+]([C@H]1CCOC1=O)C2 ZINC000182725418 175301436 /nfs/dbraw/zinc/30/14/36/175301436.db2.gz GGQGRMFKDJOIIY-LBPRGKRZSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccccc1C[NH2+]Cc1nnc(C)n1C ZINC000035695811 175330702 /nfs/dbraw/zinc/33/07/02/175330702.db2.gz AUCHXLNNENTTHB-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287168688 175351941 /nfs/dbraw/zinc/35/19/41/175351941.db2.gz UKMNJNZJLRXSIS-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N(C)C(C)C ZINC000292925143 175369620 /nfs/dbraw/zinc/36/96/20/175369620.db2.gz HICXDPSBFBPOOX-UHFFFAOYSA-N 1 2 237.303 1.640 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H]1C ZINC000294113919 175369766 /nfs/dbraw/zinc/36/97/66/175369766.db2.gz FGLWNXMXGLEMQE-JTQLQIEISA-N 1 2 249.314 1.784 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@H]1C ZINC000294113924 175370386 /nfs/dbraw/zinc/37/03/86/175370386.db2.gz FGLWNXMXGLEMQE-SNVBAGLBSA-N 1 2 249.314 1.784 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)C1CC1 ZINC000294609492 175372512 /nfs/dbraw/zinc/37/25/12/175372512.db2.gz NUPIRAWGOWVACD-VIFPVBQESA-N 1 2 234.299 1.753 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000337941512 175374537 /nfs/dbraw/zinc/37/45/37/175374537.db2.gz QZWQJTFOUGRAJQ-BQBZGAKWSA-N 1 2 242.225 1.930 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C(C)(C)OC ZINC000170966104 175374990 /nfs/dbraw/zinc/37/49/90/175374990.db2.gz MXFNGECDWAIWHD-UHFFFAOYSA-N 1 2 224.260 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@](C)(O)C1CC1 ZINC000287116406 175375983 /nfs/dbraw/zinc/37/59/83/175375983.db2.gz WDAOKIBWISIJDU-GFCCVEGCSA-N 1 2 236.271 1.190 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1oc(C)nc1C ZINC000174678341 175376014 /nfs/dbraw/zinc/37/60/14/175376014.db2.gz NFMKRKQAUBOYEM-UHFFFAOYSA-N 1 2 247.254 1.947 20 0 BDADLO COc1ccsc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000355199230 175377224 /nfs/dbraw/zinc/37/72/24/175377224.db2.gz OZCZVRZKTGARPT-MRVPVSSYSA-N 1 2 240.328 1.077 20 0 BDADLO COc1ccsc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000355199230 175377226 /nfs/dbraw/zinc/37/72/26/175377226.db2.gz OZCZVRZKTGARPT-MRVPVSSYSA-N 1 2 240.328 1.077 20 0 BDADLO COc1nc(C)cc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000354595049 175390186 /nfs/dbraw/zinc/39/01/86/175390186.db2.gz FLVUZFZKFJZGGW-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1nccn1CC(F)(F)F ZINC000288514919 175694808 /nfs/dbraw/zinc/69/48/08/175694808.db2.gz UASGMEKJYWAXCQ-ZETCQYMHSA-N 1 2 239.216 1.893 20 0 BDADLO CC(C)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000556941233 322931672 /nfs/dbraw/zinc/93/16/72/322931672.db2.gz HAHBWVRTOQSGAK-UHFFFAOYSA-N 1 2 248.317 1.736 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000336293116 176016164 /nfs/dbraw/zinc/01/61/64/176016164.db2.gz IGVWECJDZYHDLO-ZJUUUORDSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000336293116 176016166 /nfs/dbraw/zinc/01/61/66/176016166.db2.gz IGVWECJDZYHDLO-ZJUUUORDSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cn(C)nn1 ZINC000336784153 176018886 /nfs/dbraw/zinc/01/88/86/176018886.db2.gz WNIIJNGOQOSAPN-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336784153 176018888 /nfs/dbraw/zinc/01/88/88/176018888.db2.gz WNIIJNGOQOSAPN-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372601 176027477 /nfs/dbraw/zinc/02/74/77/176027477.db2.gz OLAXPHCOMQGOSM-SDDRHHMPSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372601 176027478 /nfs/dbraw/zinc/02/74/78/176027478.db2.gz OLAXPHCOMQGOSM-SDDRHHMPSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NC2=[NH+]CCS2)C1 ZINC000267847165 176057069 /nfs/dbraw/zinc/05/70/69/176057069.db2.gz KDZBCUJVDJDGKU-KGOFQHAKSA-N 1 2 224.329 1.952 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000283795131 176059598 /nfs/dbraw/zinc/05/95/98/176059598.db2.gz GFIKGQPJDPMHTA-VXGBXAGGSA-N 1 2 247.342 1.981 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119114838 176106232 /nfs/dbraw/zinc/10/62/32/176106232.db2.gz NLRMUZCNBILPMT-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280520504 176128257 /nfs/dbraw/zinc/12/82/57/176128257.db2.gz MOXWSNOOTTYJOE-KOLCDFICSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280520504 176128260 /nfs/dbraw/zinc/12/82/60/176128260.db2.gz MOXWSNOOTTYJOE-KOLCDFICSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@@H]1CO ZINC000189862681 176181657 /nfs/dbraw/zinc/18/16/57/176181657.db2.gz IEYYDBJMGVBZLR-MWLCHTKSSA-N 1 2 233.315 1.561 20 0 BDADLO C[C@@H]1CCN(c2nncs2)C[C@@H]1n1cc[nH+]c1 ZINC000297352226 176183318 /nfs/dbraw/zinc/18/33/18/176183318.db2.gz BNHMUKOJODUQMG-ZJUUUORDSA-N 1 2 249.343 1.822 20 0 BDADLO C[C@@H]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC000339172012 176228083 /nfs/dbraw/zinc/22/80/83/176228083.db2.gz YVEBGWYDYNZWRJ-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000359552759 176238237 /nfs/dbraw/zinc/23/82/37/176238237.db2.gz GTZYTBKAZJZUMT-SKDRFNHKSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000281244880 176246840 /nfs/dbraw/zinc/24/68/40/176246840.db2.gz PRZFYKXUVZQUOJ-VXGBXAGGSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/Cl)CC[S@](=O)C1 ZINC000307752447 176280423 /nfs/dbraw/zinc/28/04/23/176280423.db2.gz RRFISVCZLFWRMK-YNXRJFLPSA-N 1 2 221.753 1.439 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/Cl)CC[S@](=O)C1 ZINC000307752447 176280424 /nfs/dbraw/zinc/28/04/24/176280424.db2.gz RRFISVCZLFWRMK-YNXRJFLPSA-N 1 2 221.753 1.439 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000331516720 176311334 /nfs/dbraw/zinc/31/13/34/176311334.db2.gz DKDSFAKXFYRMFU-OPRDCNLKSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000331516720 176311335 /nfs/dbraw/zinc/31/13/35/176311335.db2.gz DKDSFAKXFYRMFU-OPRDCNLKSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C)CO1 ZINC000299586944 176311962 /nfs/dbraw/zinc/31/19/62/176311962.db2.gz VXDJZHLHRVHAKI-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc(C(C)(C)C)n2)C[C@@H]1O ZINC000351808596 176312933 /nfs/dbraw/zinc/31/29/33/176312933.db2.gz JRUYUGATZQDGKZ-BDAKNGLRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc(C(C)(C)C)n2)C[C@@H]1O ZINC000351808596 176312934 /nfs/dbraw/zinc/31/29/34/176312934.db2.gz JRUYUGATZQDGKZ-BDAKNGLRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC(=O)N1 ZINC000296085201 176316228 /nfs/dbraw/zinc/31/62/28/176316228.db2.gz FJCGWPPITJQNER-RAIGVLPGSA-N 1 2 230.311 1.363 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC(=O)N1 ZINC000296085201 176316230 /nfs/dbraw/zinc/31/62/30/176316230.db2.gz FJCGWPPITJQNER-RAIGVLPGSA-N 1 2 230.311 1.363 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](C)C1 ZINC000299187738 176317596 /nfs/dbraw/zinc/31/75/96/176317596.db2.gz CMNGOVSSHLPQQU-GHMZBOCLSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](C)C1 ZINC000299187738 176317598 /nfs/dbraw/zinc/31/75/98/176317598.db2.gz CMNGOVSSHLPQQU-GHMZBOCLSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H]1O ZINC000351510118 176320487 /nfs/dbraw/zinc/32/04/87/176320487.db2.gz OLEYKGQKXLUJIO-SKDRFNHKSA-N 1 2 231.299 1.390 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000277521253 176346300 /nfs/dbraw/zinc/34/63/00/176346300.db2.gz VEGOGVUNJFTOIR-PSASIEDQSA-N 1 2 247.302 1.200 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276661775 176360111 /nfs/dbraw/zinc/36/01/11/176360111.db2.gz MSPGSNSFJLZZGR-YIZUVKHSSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c2nccn21 ZINC000294272026 176376624 /nfs/dbraw/zinc/37/66/24/176376624.db2.gz YAKSFNFIJAJYPC-PRJMDXOYSA-N 1 2 249.236 1.402 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000336571149 176382963 /nfs/dbraw/zinc/38/29/63/176382963.db2.gz FWFNRTDRQAASPH-RKDXNWHRSA-N 1 2 217.272 1.522 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363072485 176385353 /nfs/dbraw/zinc/38/53/53/176385353.db2.gz NYPVIYAWLPJDLV-MXWKQRLJSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000355114080 176388729 /nfs/dbraw/zinc/38/87/29/176388729.db2.gz CQBIXAJFLHRXAY-IJLUTSLNSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000166102985 177009904 /nfs/dbraw/zinc/00/99/04/177009904.db2.gz BPHIJNWSBUNPMF-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000166102985 177009905 /nfs/dbraw/zinc/00/99/05/177009905.db2.gz BPHIJNWSBUNPMF-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H](O)[C@H](C)Sc1[nH+]cnc2[nH]ccc21 ZINC000266228943 177013383 /nfs/dbraw/zinc/01/33/83/177013383.db2.gz SQTBTMZZJKKSHE-BQBZGAKWSA-N 1 2 223.301 1.819 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CCS(C)(=O)=O ZINC000069065132 177047798 /nfs/dbraw/zinc/04/77/98/177047798.db2.gz DHEMQCHHZCYQOB-SECBINFHSA-N 1 2 231.317 1.317 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CCS(C)(=O)=O ZINC000069065132 177047800 /nfs/dbraw/zinc/04/78/00/177047800.db2.gz DHEMQCHHZCYQOB-SECBINFHSA-N 1 2 231.317 1.317 20 0 BDADLO C[C@H](c1cnccn1)N(C)Cc1[nH+]ccn1C ZINC000341323152 177051839 /nfs/dbraw/zinc/05/18/39/177051839.db2.gz UPWGGXPHTZJGEM-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCc2cncnc2C1 ZINC000332517098 177052616 /nfs/dbraw/zinc/05/26/16/177052616.db2.gz KLGIGDYDWWEXIZ-SNVBAGLBSA-N 1 2 241.298 1.386 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCc2cncnc2C1 ZINC000332517098 177052617 /nfs/dbraw/zinc/05/26/17/177052617.db2.gz KLGIGDYDWWEXIZ-SNVBAGLBSA-N 1 2 241.298 1.386 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCCO ZINC000331274070 177053078 /nfs/dbraw/zinc/05/30/78/177053078.db2.gz BJYUKSFDWGEBCQ-SECBINFHSA-N 1 2 241.335 1.742 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCCO ZINC000331274070 177053079 /nfs/dbraw/zinc/05/30/79/177053079.db2.gz BJYUKSFDWGEBCQ-SECBINFHSA-N 1 2 241.335 1.742 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2occc2c1 ZINC000289419533 177059843 /nfs/dbraw/zinc/05/98/43/177059843.db2.gz UODIBIPLNAKWOO-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2occc2c1 ZINC000289419533 177059845 /nfs/dbraw/zinc/05/98/45/177059845.db2.gz UODIBIPLNAKWOO-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000009998238 177073557 /nfs/dbraw/zinc/07/35/57/177073557.db2.gz YGUMNHFBKAELKP-VIFPVBQESA-N 1 2 239.344 1.956 20 0 BDADLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1nccs1 ZINC000009998238 177073559 /nfs/dbraw/zinc/07/35/59/177073559.db2.gz YGUMNHFBKAELKP-VIFPVBQESA-N 1 2 239.344 1.956 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000264331277 177124511 /nfs/dbraw/zinc/12/45/11/177124511.db2.gz XBKYAZVUIAJIPB-QWRGUYRKSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000336243955 177128186 /nfs/dbraw/zinc/12/81/86/177128186.db2.gz YQYUQBBCRCCCTR-JOYOIKCWSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ncn[nH]1 ZINC000037919145 177130159 /nfs/dbraw/zinc/13/01/59/177130159.db2.gz FSJREQBALJRGSE-IUCAKERBSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000280568457 177140497 /nfs/dbraw/zinc/14/04/97/177140497.db2.gz QXESVKOXTBFKLL-CMPLNLGQSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000284453577 177145417 /nfs/dbraw/zinc/14/54/17/177145417.db2.gz REPAGHOPYVCHSH-MJKAUQOVSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C)C1 ZINC000263656782 177150519 /nfs/dbraw/zinc/15/05/19/177150519.db2.gz DKOHWYWJQZYQBT-QWRGUYRKSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)[C@H]1CO ZINC000332661610 177167584 /nfs/dbraw/zinc/16/75/84/177167584.db2.gz OBUUEKGWCXHXLN-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)[C@H]1CO ZINC000332661610 177167585 /nfs/dbraw/zinc/16/75/85/177167585.db2.gz OBUUEKGWCXHXLN-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1CC[N@@H+]([C@H]2CCOC2)CC1(F)F ZINC000335937764 177170049 /nfs/dbraw/zinc/17/00/49/177170049.db2.gz NQURYJRQKRURCP-IUCAKERBSA-N 1 2 205.248 1.752 20 0 BDADLO C[C@H]1CC[N@H+]([C@H]2CCOC2)CC1(F)F ZINC000335937764 177170052 /nfs/dbraw/zinc/17/00/52/177170052.db2.gz NQURYJRQKRURCP-IUCAKERBSA-N 1 2 205.248 1.752 20 0 BDADLO C[C@H]1CCN(c2cccc[nH+]2)CC[S@@]1=O ZINC000276968102 177172363 /nfs/dbraw/zinc/17/23/63/177172363.db2.gz DKCWRQNYRFSTLO-BONVTDFDSA-N 1 2 224.329 1.429 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000263786029 177172415 /nfs/dbraw/zinc/17/24/15/177172415.db2.gz ZWGQPLSMLSTYEO-QMMMGPOBSA-N 1 2 217.276 1.210 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000362239494 177177636 /nfs/dbraw/zinc/17/76/36/177177636.db2.gz SODOJCPXLCPSIY-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H]1CCOCC[N@H+]1CC(=O)OC(C)(C)C ZINC000362239494 177177637 /nfs/dbraw/zinc/17/76/37/177177637.db2.gz SODOJCPXLCPSIY-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1CC[C@H](C)N1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302881603 177187322 /nfs/dbraw/zinc/18/73/22/177187322.db2.gz JEHPJCNGOWTWDK-OCAPTIKFSA-N 1 2 246.318 1.323 20 0 BDADLO C[C@H]1CC[C@H](CCC(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000237562117 177201414 /nfs/dbraw/zinc/20/14/14/177201414.db2.gz IBXCRIGKWOXPDO-GXSJLCMTSA-N 1 2 249.314 1.950 20 0 BDADLO C[C@H]1CC[C@H]([N@H+](CCO)Cc2csnn2)C1 ZINC000356351975 177204117 /nfs/dbraw/zinc/20/41/17/177204117.db2.gz ARGLQAARVHRUEL-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2csnn2)C1 ZINC000356351975 177204118 /nfs/dbraw/zinc/20/41/18/177204118.db2.gz ARGLQAARVHRUEL-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000332325191 177204515 /nfs/dbraw/zinc/20/45/15/177204515.db2.gz OLMSTWJHHPZHSS-QWRGUYRKSA-N 1 2 236.319 1.371 20 0 BDADLO C[C@H]1C[N@H+](CCSc2ncco2)CCO1 ZINC000278100412 177253686 /nfs/dbraw/zinc/25/36/86/177253686.db2.gz ZLACJVDKZQOYGR-VIFPVBQESA-N 1 2 228.317 1.487 20 0 BDADLO C[C@H]1C[N@@H+](CCSc2ncco2)CCO1 ZINC000278100412 177253687 /nfs/dbraw/zinc/25/36/87/177253687.db2.gz ZLACJVDKZQOYGR-VIFPVBQESA-N 1 2 228.317 1.487 20 0 BDADLO C[C@H]1C[N@H+](CCc2cccnc2)CC[S@]1=O ZINC000336394905 177255483 /nfs/dbraw/zinc/25/54/83/177255483.db2.gz VPUQGMHBQHVENO-MEDUHNTESA-N 1 2 238.356 1.077 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cccnc2)CC[S@]1=O ZINC000336394905 177255484 /nfs/dbraw/zinc/25/54/84/177255484.db2.gz VPUQGMHBQHVENO-MEDUHNTESA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H](C)[S@@]1=O ZINC000362070003 177259774 /nfs/dbraw/zinc/25/97/74/177259774.db2.gz VVAOCDDUMCIFFU-AZKPJATDSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H](C)[S@@]1=O ZINC000362070003 177259775 /nfs/dbraw/zinc/25/97/75/177259775.db2.gz VVAOCDDUMCIFFU-AZKPJATDSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@H](CO)O1 ZINC000191767887 177265455 /nfs/dbraw/zinc/26/54/55/177265455.db2.gz REEFFDGDTHYCSH-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H](CO)O1 ZINC000191767887 177265456 /nfs/dbraw/zinc/26/54/56/177265456.db2.gz REEFFDGDTHYCSH-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[NH+](Cc2ccnn2C)C[C@H](C)O1 ZINC000127000588 177267613 /nfs/dbraw/zinc/26/76/13/177267613.db2.gz PRKSKODZKVYUSR-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)CC(C)(C)O1 ZINC000271139782 177267677 /nfs/dbraw/zinc/26/76/77/177267677.db2.gz OTZAIPJCODTPLG-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC(C)(C)O1 ZINC000271139782 177267679 /nfs/dbraw/zinc/26/76/79/177267679.db2.gz OTZAIPJCODTPLG-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@@H](C2CC2)O1 ZINC000279217926 177268574 /nfs/dbraw/zinc/26/85/74/177268574.db2.gz CONUWPZWZBKVEU-CABZTGNLSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@@H](C2CC2)O1 ZINC000279217926 177268575 /nfs/dbraw/zinc/26/85/75/177268575.db2.gz CONUWPZWZBKVEU-CABZTGNLSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)no2)C[C@H]1O ZINC000351808216 177270651 /nfs/dbraw/zinc/27/06/51/177270651.db2.gz JBDSDHZLJVIUCE-DTWKUNHWSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)no2)C[C@H]1O ZINC000351808216 177270653 /nfs/dbraw/zinc/27/06/53/177270653.db2.gz JBDSDHZLJVIUCE-DTWKUNHWSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncnn1CCF ZINC000339572419 177272022 /nfs/dbraw/zinc/27/20/22/177272022.db2.gz VDPLXFJCEZIELN-DTWKUNHWSA-N 1 2 212.272 1.088 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncnn1CCF ZINC000339572419 177272024 /nfs/dbraw/zinc/27/20/24/177272024.db2.gz VDPLXFJCEZIELN-DTWKUNHWSA-N 1 2 212.272 1.088 20 0 BDADLO C[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1O ZINC000351499985 177276511 /nfs/dbraw/zinc/27/65/11/177276511.db2.gz FBJGXIFTJIKORH-CBAPKCEASA-N 1 2 246.232 1.917 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1O ZINC000351510117 177278309 /nfs/dbraw/zinc/27/83/09/177278309.db2.gz OLEYKGQKXLUJIO-JOYOIKCWSA-N 1 2 231.299 1.390 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN1CCC[C@H]1C(F)F ZINC000353197674 177291339 /nfs/dbraw/zinc/29/13/39/177291339.db2.gz WJNVJDNYNIFLLH-QWRGUYRKSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN1CCC[C@H]1C(F)F ZINC000353197674 177291341 /nfs/dbraw/zinc/29/13/41/177291341.db2.gz WJNVJDNYNIFLLH-QWRGUYRKSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000354023845 177342827 /nfs/dbraw/zinc/34/28/27/177342827.db2.gz GWRXDBHWMATZFC-WDEREUQCSA-N 1 2 247.342 1.882 20 0 BDADLO C[C@H]1C[C@@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000357321615 177343704 /nfs/dbraw/zinc/34/37/04/177343704.db2.gz ARDYQSVEYYVCFG-GXSJLCMTSA-N 1 2 232.331 1.788 20 0 BDADLO C[C@H]1C[C@@H]1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000357321615 177343705 /nfs/dbraw/zinc/34/37/05/177343705.db2.gz ARDYQSVEYYVCFG-GXSJLCMTSA-N 1 2 232.331 1.788 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000073172275 177358088 /nfs/dbraw/zinc/35/80/88/177358088.db2.gz PYANPBVSPVLTCX-QWRGUYRKSA-N 1 2 221.304 1.388 20 0 BDADLO C[C@H]1OCC[N@H+](CCCCCF)[C@@H]1C(N)=O ZINC000330584135 177398516 /nfs/dbraw/zinc/39/85/16/177398516.db2.gz VQLNZJZQYGJLNO-ZJUUUORDSA-N 1 2 232.299 1.751 20 0 BDADLO C[C@H]1OCC[N@@H+](CCCCCF)[C@@H]1C(N)=O ZINC000330584135 177398517 /nfs/dbraw/zinc/39/85/17/177398517.db2.gz VQLNZJZQYGJLNO-ZJUUUORDSA-N 1 2 232.299 1.751 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccccn2)[C@@H]1C ZINC000156068107 177399300 /nfs/dbraw/zinc/39/93/00/177399300.db2.gz CBPNBLFQRUZJNM-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccccn2)[C@@H]1C ZINC000156068107 177399301 /nfs/dbraw/zinc/39/93/01/177399301.db2.gz CBPNBLFQRUZJNM-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCC[C@@H]1CCO ZINC000493479241 224693560 /nfs/dbraw/zinc/69/35/60/224693560.db2.gz BXKRWTKDNWVEBO-DOGVGXBMSA-N 1 2 249.314 1.186 20 0 BDADLO Cc1nnc(NCCc2cn(C)c[nH+]2)s1 ZINC000313472795 487642421 /nfs/dbraw/zinc/64/24/21/487642421.db2.gz SLTOVMLFTLZMOU-UHFFFAOYSA-N 1 2 223.305 1.235 20 0 BDADLO Cc1nc(N2CC(C)(C)OC[C@@H]2C)cc[nH+]1 ZINC000487102504 225287621 /nfs/dbraw/zinc/28/76/21/225287621.db2.gz JTKZGROFTNMBAX-VIFPVBQESA-N 1 2 221.304 1.789 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@H]1C ZINC000488430627 225395487 /nfs/dbraw/zinc/39/54/87/225395487.db2.gz NNXRJYODKBPLMS-DTORHVGOSA-N 1 2 244.289 1.631 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@H]1C ZINC000488430627 225395491 /nfs/dbraw/zinc/39/54/91/225395491.db2.gz NNXRJYODKBPLMS-DTORHVGOSA-N 1 2 244.289 1.631 20 0 BDADLO Cc1cc(COCc2[nH]cc[nH+]2)ncn1 ZINC000488252253 225358660 /nfs/dbraw/zinc/35/86/60/225358660.db2.gz QSBYMZUFTMXSGT-UHFFFAOYSA-N 1 2 204.233 1.225 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668320863 487646217 /nfs/dbraw/zinc/64/62/17/487646217.db2.gz IYKJJXKIYPMJQV-MXWKQRLJSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668320863 487646224 /nfs/dbraw/zinc/64/62/24/487646224.db2.gz IYKJJXKIYPMJQV-MXWKQRLJSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492800891 226054241 /nfs/dbraw/zinc/05/42/41/226054241.db2.gz OBVBIDOMPXKBPS-QTIBKXMGSA-N 1 2 237.328 1.291 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\C1CC1)C1CC1 ZINC000492803913 226056106 /nfs/dbraw/zinc/05/61/06/226056106.db2.gz SSQYGXPENIEBBL-LLPBQKLSSA-N 1 2 245.326 1.954 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCCC1 ZINC000492809361 226057605 /nfs/dbraw/zinc/05/76/05/226057605.db2.gz FWCNGPKDWJAMHV-AATRIKPKSA-N 1 2 219.288 1.729 20 0 BDADLO Cc1ncsc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813450 226058204 /nfs/dbraw/zinc/05/82/04/226058204.db2.gz PKODXGKLWHCZLK-IHWYPQMZSA-N 1 2 234.284 1.827 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CCCO ZINC000492815506 226060565 /nfs/dbraw/zinc/06/05/65/226060565.db2.gz XJIQLDFFGYBJFZ-BTDICHCPSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1F ZINC000492821592 226060644 /nfs/dbraw/zinc/06/06/44/226060644.db2.gz FEUWLCDNDDGDHT-AATRIKPKSA-N 1 2 245.257 1.878 20 0 BDADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)nc1 ZINC000492827556 226061634 /nfs/dbraw/zinc/06/16/34/226061634.db2.gz XEJGNWFJLJHTPU-HYXAFXHYSA-N 1 2 228.255 1.765 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(O)CCCCC1 ZINC000492828946 226061645 /nfs/dbraw/zinc/06/16/45/226061645.db2.gz ZXLGXYVGNZHQJN-PLNGDYQASA-N 1 2 249.314 1.234 20 0 BDADLO Cc1occc1CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861913 226070263 /nfs/dbraw/zinc/07/02/63/226070263.db2.gz KCHHIIHXBWJADP-ONEGZZNKSA-N 1 2 245.282 1.983 20 0 BDADLO CCc1noc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492869095 226071678 /nfs/dbraw/zinc/07/16/78/226071678.db2.gz UGOCGWVAVXEGCB-SNAWJCMRSA-N 1 2 246.270 1.920 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1nccs1 ZINC000492872070 226072517 /nfs/dbraw/zinc/07/25/17/226072517.db2.gz YHEQCZJRXROSSI-OWOJBTEDSA-N 1 2 248.311 1.238 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCSC1 ZINC000492899828 226077655 /nfs/dbraw/zinc/07/76/55/226077655.db2.gz NAQGKAHRRZHTKZ-ZMWSMAPVSA-N 1 2 237.328 1.387 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCC=CO1 ZINC000492897971 226077699 /nfs/dbraw/zinc/07/76/99/226077699.db2.gz KMKSGGVAGCHSEU-SGUJLRQBSA-N 1 2 233.271 1.232 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC=CO1 ZINC000492897972 226078179 /nfs/dbraw/zinc/07/81/79/226078179.db2.gz KMKSGGVAGCHSEU-WYGGZMRJSA-N 1 2 233.271 1.232 20 0 BDADLO Cc1ccnc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492976423 226096318 /nfs/dbraw/zinc/09/63/18/226096318.db2.gz XZOQHFZNZKGJKU-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC12CCC2 ZINC000493003813 226102625 /nfs/dbraw/zinc/10/26/25/226102625.db2.gz IPEFXTAYUFHXDX-NSCUHMNNSA-N 1 2 247.298 1.204 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000493300675 226180287 /nfs/dbraw/zinc/18/02/87/226180287.db2.gz LOZQNTOWPZPBTC-OXMQDWPZSA-N 1 2 231.299 1.728 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(O)c1 ZINC000493308718 226181838 /nfs/dbraw/zinc/18/18/38/226181838.db2.gz YEXJCJZOSWDHEY-SNAWJCMRSA-N 1 2 229.239 1.767 20 0 BDADLO C[C@@H]1C[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493328904 226187659 /nfs/dbraw/zinc/18/76/59/226187659.db2.gz WEFLZGFDSBWNMG-NTYHVHHESA-N 1 2 249.314 1.354 20 0 BDADLO COCC(C)(C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493123983 226133465 /nfs/dbraw/zinc/13/34/65/226133465.db2.gz VWHRMWPBPUYDIS-AATRIKPKSA-N 1 2 237.303 1.306 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000493232472 226161492 /nfs/dbraw/zinc/16/14/92/226161492.db2.gz XBDPUVWAYSQTOW-JQBPPHQNSA-N 1 2 245.326 1.975 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCC[C@H]1CCOC1 ZINC000493280213 226173991 /nfs/dbraw/zinc/17/39/91/226173991.db2.gz ALHDDPSLRFTFND-UFFNRZRYSA-N 1 2 249.314 1.356 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CC1 ZINC000493450813 226219676 /nfs/dbraw/zinc/21/96/76/226219676.db2.gz KEZWIHNBIMCUFR-BCEXGZMNSA-N 1 2 231.299 1.585 20 0 BDADLO COC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493452968 226220864 /nfs/dbraw/zinc/22/08/64/226220864.db2.gz LKBHSUWLZXRGJH-YEZKRMTDSA-N 1 2 237.303 1.210 20 0 BDADLO Cc1cnccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493507884 226236003 /nfs/dbraw/zinc/23/60/03/226236003.db2.gz ANVSMFDFPBBWQZ-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccs1 ZINC000493742291 226251847 /nfs/dbraw/zinc/25/18/47/226251847.db2.gz SGUAXFOJUYAEEB-ONEGZZNKSA-N 1 2 233.296 1.801 20 0 BDADLO C[C@H](O)[C@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493798193 226254628 /nfs/dbraw/zinc/25/46/28/226254628.db2.gz WENNLUUIKSFECT-PFDYWKIBSA-N 1 2 249.314 1.185 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCOC(F)F ZINC000493813737 226255413 /nfs/dbraw/zinc/25/54/13/226255413.db2.gz CYNITRBNFAVRCB-NSCUHMNNSA-N 1 2 245.229 1.168 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cncs2)cc[nH+]1 ZINC000493835987 226256641 /nfs/dbraw/zinc/25/66/41/226256641.db2.gz LATQKCYXRSEVMC-IHWYPQMZSA-N 1 2 245.307 1.920 20 0 BDADLO C[C@@]1(C(=O)[O-])CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000079490322 487649985 /nfs/dbraw/zinc/64/99/85/487649985.db2.gz RTGQPILIAHORSO-LBPRGKRZSA-N 1 2 237.303 1.212 20 0 BDADLO C[C@@]1(C(=O)[O-])CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000079490322 487649993 /nfs/dbraw/zinc/64/99/93/487649993.db2.gz RTGQPILIAHORSO-LBPRGKRZSA-N 1 2 237.303 1.212 20 0 BDADLO CCc1nc(N2CCC[C@@H]3COC[C@@H]32)cc(C)[nH+]1 ZINC000665739430 487666426 /nfs/dbraw/zinc/66/64/26/487666426.db2.gz JXAYNJLSOGPDAG-NEPJUHHUSA-N 1 2 247.342 1.963 20 0 BDADLO C=Cn1cc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000683697751 487686599 /nfs/dbraw/zinc/68/65/99/487686599.db2.gz AARHSCDUWUFKBO-UHFFFAOYSA-N 1 2 217.276 1.339 20 0 BDADLO C=Cn1cc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000683697751 487686601 /nfs/dbraw/zinc/68/66/01/487686601.db2.gz AARHSCDUWUFKBO-UHFFFAOYSA-N 1 2 217.276 1.339 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000667640570 487687946 /nfs/dbraw/zinc/68/79/46/487687946.db2.gz XRIWIZRFSFIVMQ-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000667640570 487687950 /nfs/dbraw/zinc/68/79/50/487687950.db2.gz XRIWIZRFSFIVMQ-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000353263353 487689315 /nfs/dbraw/zinc/68/93/15/487689315.db2.gz UDSBNAQJPVXDTL-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CCOCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353263353 487689318 /nfs/dbraw/zinc/68/93/18/487689318.db2.gz UDSBNAQJPVXDTL-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CCc1cc(N2C[C@@H](F)[C@@H](F)C2)nc(C)[nH+]1 ZINC000336268121 487695330 /nfs/dbraw/zinc/69/53/30/487695330.db2.gz WCJWWAXLBDMIBR-AOOOYVTPSA-N 1 2 227.258 1.844 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000669700049 487695973 /nfs/dbraw/zinc/69/59/73/487695973.db2.gz VZZVIEYNYDDCDD-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000669700049 487695979 /nfs/dbraw/zinc/69/59/79/487695979.db2.gz VZZVIEYNYDDCDD-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@@H]2C(F)(F)F)c1 ZINC000660149555 487697387 /nfs/dbraw/zinc/69/73/87/487697387.db2.gz QURJZMXCVSZNGC-SECBINFHSA-N 1 2 249.236 1.183 20 0 BDADLO Cc1cc(N[C@@H](C)CCCCO)nc[nH+]1 ZINC000398634479 262765059 /nfs/dbraw/zinc/76/50/59/262765059.db2.gz UEWLSZQICDAAJH-VIFPVBQESA-N 1 2 209.293 1.748 20 0 BDADLO COC[C@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000527898906 262892927 /nfs/dbraw/zinc/89/29/27/262892927.db2.gz DDZDJICPYNIYNH-JTQLQIEISA-N 1 2 222.288 1.563 20 0 BDADLO CCn1nncc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000527920134 262895290 /nfs/dbraw/zinc/89/52/90/262895290.db2.gz NGAFMVFBMGTPBH-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO C[C@@H](C[NH+]1CCC(F)(F)CC1)S(C)(=O)=O ZINC000528716533 262966505 /nfs/dbraw/zinc/96/65/05/262966505.db2.gz RXRMAWGAJSCHQT-QMMMGPOBSA-N 1 2 241.303 1.151 20 0 BDADLO O=C(COC(F)F)Nc1ccc2[nH+]ccn2c1 ZINC000671721114 487706882 /nfs/dbraw/zinc/70/68/82/487706882.db2.gz ZTTAHUIBYIAIJW-UHFFFAOYSA-N 1 2 241.197 1.512 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CCCC2 ZINC000353956567 487710406 /nfs/dbraw/zinc/71/04/06/487710406.db2.gz VBHFNADGUHIEMS-RYUDHWBXSA-N 1 2 247.342 1.968 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc(N)c1 ZINC000233485657 487720991 /nfs/dbraw/zinc/72/09/91/487720991.db2.gz SSKRYNLVKWJHPN-UHFFFAOYSA-N 1 2 245.330 1.419 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(N)c1 ZINC000233485657 487721000 /nfs/dbraw/zinc/72/10/00/487721000.db2.gz SSKRYNLVKWJHPN-UHFFFAOYSA-N 1 2 245.330 1.419 20 0 BDADLO CN(Cc1cn(C2CCC2)nn1)Cc1c[nH]c[nH+]1 ZINC000668422366 487727962 /nfs/dbraw/zinc/72/79/62/487727962.db2.gz ZYSDEETZEZSMAD-UHFFFAOYSA-N 1 2 246.318 1.358 20 0 BDADLO C[C@H]1C[C@@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665692050 487731895 /nfs/dbraw/zinc/73/18/95/487731895.db2.gz DCQZMDYIUYCOLI-JGVFFNPUSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@H]1C[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665692050 487731899 /nfs/dbraw/zinc/73/18/99/487731899.db2.gz DCQZMDYIUYCOLI-JGVFFNPUSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@@]1(O)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000665704890 487736235 /nfs/dbraw/zinc/73/62/35/487736235.db2.gz YQQMYYKYVFVUKK-GFCCVEGCSA-N 1 2 234.303 1.012 20 0 BDADLO C[C@@]1(O)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000665704890 487736239 /nfs/dbraw/zinc/73/62/39/487736239.db2.gz YQQMYYKYVFVUKK-GFCCVEGCSA-N 1 2 234.303 1.012 20 0 BDADLO CCC1(CNc2[nH+]cnc3c2OCCN3)CC1 ZINC000665705191 487735820 /nfs/dbraw/zinc/73/58/20/487735820.db2.gz UYGZHWAKXREGLV-UHFFFAOYSA-N 1 2 234.303 1.883 20 0 BDADLO CCC1(CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665705191 487735823 /nfs/dbraw/zinc/73/58/23/487735823.db2.gz UYGZHWAKXREGLV-UHFFFAOYSA-N 1 2 234.303 1.883 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)[C@@H]1C ZINC000665704738 487736549 /nfs/dbraw/zinc/73/65/49/487736549.db2.gz PHMWYERFGQMWLC-RKDXNWHRSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)[C@@H]1C ZINC000665704738 487736556 /nfs/dbraw/zinc/73/65/56/487736556.db2.gz PHMWYERFGQMWLC-RKDXNWHRSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665719261 487738927 /nfs/dbraw/zinc/73/89/27/487738927.db2.gz QFDGUPTVJWCFAZ-SFYZADRCSA-N 1 2 220.276 1.491 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665719261 487738932 /nfs/dbraw/zinc/73/89/32/487738932.db2.gz QFDGUPTVJWCFAZ-SFYZADRCSA-N 1 2 220.276 1.491 20 0 BDADLO C[C@@H]1CN(c2nc(N)c3ccccc3[nH+]2)C[C@H]1O ZINC000678152832 487740597 /nfs/dbraw/zinc/74/05/97/487740597.db2.gz WPWMKJSUZUKLIO-LDYMZIIASA-N 1 2 244.298 1.029 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCn2ncnc2C1 ZINC000681168598 487742021 /nfs/dbraw/zinc/74/20/21/487742021.db2.gz QCGTZYPARJKXML-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCn2ncnc2C1 ZINC000681168598 487742023 /nfs/dbraw/zinc/74/20/23/487742023.db2.gz QCGTZYPARJKXML-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c(C(=O)[O-])c1 ZINC000036896405 487755425 /nfs/dbraw/zinc/75/54/25/487755425.db2.gz BRHJZWVOYATABH-NSHDSACASA-N 1 2 249.314 1.676 20 0 BDADLO CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(C(=O)[O-])c1 ZINC000036896405 487755428 /nfs/dbraw/zinc/75/54/28/487755428.db2.gz BRHJZWVOYATABH-NSHDSACASA-N 1 2 249.314 1.676 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCCCCF ZINC000789594138 585170989 /nfs/dbraw/zinc/17/09/89/585170989.db2.gz ASXGEZPUKPZPHA-QMMMGPOBSA-N 1 2 206.261 1.660 20 0 BDADLO Cc1cnc(NC(=O)N[C@H](C)c2[nH+]ccn2C)o1 ZINC000666228317 487764218 /nfs/dbraw/zinc/76/42/18/487764218.db2.gz OOMLOIRFYLXPNN-MRVPVSSYSA-N 1 2 249.274 1.599 20 0 BDADLO CCn1nccc1C(=O)Nc1c[nH+]ccc1OC ZINC000681270311 487765785 /nfs/dbraw/zinc/76/57/85/487765785.db2.gz SVVIEYYYGXFUNV-UHFFFAOYSA-N 1 2 246.270 1.559 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)no1 ZINC000555075340 487769013 /nfs/dbraw/zinc/76/90/13/487769013.db2.gz WQYLZUQYSCIVSL-VIFPVBQESA-N 1 2 232.230 1.797 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)no1 ZINC000555075340 487769015 /nfs/dbraw/zinc/76/90/15/487769015.db2.gz WQYLZUQYSCIVSL-VIFPVBQESA-N 1 2 232.230 1.797 20 0 BDADLO COC1C[NH+](Cc2scnc2C2CC2)C1 ZINC000459587183 487776576 /nfs/dbraw/zinc/77/65/76/487776576.db2.gz UYIPHHSBZHFDKI-UHFFFAOYSA-N 1 2 224.329 1.851 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679221671 487784537 /nfs/dbraw/zinc/78/45/37/487784537.db2.gz LSTHPEOLTVGOTQ-UWVGGRQHSA-N 1 2 216.300 1.145 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679221671 487784541 /nfs/dbraw/zinc/78/45/41/487784541.db2.gz LSTHPEOLTVGOTQ-UWVGGRQHSA-N 1 2 216.300 1.145 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000681363600 487784862 /nfs/dbraw/zinc/78/48/62/487784862.db2.gz SFMBONGINZQVGO-MNOVXSKESA-N 1 2 247.342 1.944 20 0 BDADLO C[C@@H](NC(=O)Nc1cccnn1)c1[nH+]ccn1C ZINC000666320030 487787253 /nfs/dbraw/zinc/78/72/53/487787253.db2.gz JXGPQZRKYXPFRL-MRVPVSSYSA-N 1 2 246.274 1.093 20 0 BDADLO Cn1ncnc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000675893840 487788577 /nfs/dbraw/zinc/78/85/77/487788577.db2.gz SEQOYEVCTKJNLD-JTQLQIEISA-N 1 2 246.318 1.265 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226480 487789253 /nfs/dbraw/zinc/78/92/53/487789253.db2.gz SEHIFZPVHFHRPP-WCABBAIRSA-N 1 2 228.311 1.333 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226480 487789260 /nfs/dbraw/zinc/78/92/60/487789260.db2.gz SEHIFZPVHFHRPP-WCABBAIRSA-N 1 2 228.311 1.333 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226984 487789207 /nfs/dbraw/zinc/78/92/07/487789207.db2.gz WHFJORGZBWSCKY-WDEREUQCSA-N 1 2 244.354 1.971 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226984 487789211 /nfs/dbraw/zinc/78/92/11/487789211.db2.gz WHFJORGZBWSCKY-WDEREUQCSA-N 1 2 244.354 1.971 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)c1cocn1 ZINC000591136157 487790493 /nfs/dbraw/zinc/79/04/93/487790493.db2.gz UHSJRHPFHGHCII-UHFFFAOYSA-N 1 2 246.270 1.066 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cn2)[C@@H](C)C1 ZINC000676886065 487792829 /nfs/dbraw/zinc/79/28/29/487792829.db2.gz YZKJOZQYOVVGAX-CABZTGNLSA-N 1 2 248.330 1.454 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652142236 487794567 /nfs/dbraw/zinc/79/45/67/487794567.db2.gz LPLQQYBUEXYHOC-ZYHUDNBSSA-N 1 2 247.342 1.677 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675968489 487798217 /nfs/dbraw/zinc/79/82/17/487798217.db2.gz QVVQXQGLMTTXRW-QWHCGFSZSA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675968489 487798219 /nfs/dbraw/zinc/79/82/19/487798219.db2.gz QVVQXQGLMTTXRW-QWHCGFSZSA-N 1 2 248.301 1.851 20 0 BDADLO CN(Cc1ccccc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000681475863 487801888 /nfs/dbraw/zinc/80/18/88/487801888.db2.gz GOANNWQFNSMYGO-UHFFFAOYSA-N 1 2 244.298 1.751 20 0 BDADLO CN(Cc1ccccc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000681475863 487801893 /nfs/dbraw/zinc/80/18/93/487801893.db2.gz GOANNWQFNSMYGO-UHFFFAOYSA-N 1 2 244.298 1.751 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000668952938 487806567 /nfs/dbraw/zinc/80/65/67/487806567.db2.gz IWOMXROVRBWBNH-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000668952938 487806572 /nfs/dbraw/zinc/80/65/72/487806572.db2.gz IWOMXROVRBWBNH-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)[C@@H](C)O1 ZINC000668031948 487806408 /nfs/dbraw/zinc/80/64/08/487806408.db2.gz NNCUVJROSVSXEA-IJLUTSLNSA-N 1 2 249.358 1.827 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H]2CCC[C@H]21 ZINC000681654042 487831040 /nfs/dbraw/zinc/83/10/40/487831040.db2.gz ZUTSKLFDRGVUBV-NWDGAFQWSA-N 1 2 248.330 1.467 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C)cn1 ZINC000471817624 527905604 /nfs/dbraw/zinc/90/56/04/527905604.db2.gz VMWNOYJBFIOQDX-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCCONC(=O)/C=C/c1[nH+]ccn1CC ZINC000493450146 528599477 /nfs/dbraw/zinc/59/94/77/528599477.db2.gz JCAFKFRZTDJMRJ-AATRIKPKSA-N 1 2 223.276 1.374 20 0 BDADLO Cc1ccc2[nH+]c(CN3CC(C)(O)C3)cn2c1 ZINC000089647648 487842263 /nfs/dbraw/zinc/84/22/63/487842263.db2.gz INEVKBADWVUACK-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668995307 487843873 /nfs/dbraw/zinc/84/38/73/487843873.db2.gz KESUWBUQAGOEGL-JMJZKYOTSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668995307 487843876 /nfs/dbraw/zinc/84/38/76/487843876.db2.gz KESUWBUQAGOEGL-JMJZKYOTSA-N 1 2 219.288 1.462 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000668995962 487844944 /nfs/dbraw/zinc/84/49/44/487844944.db2.gz SBCVOXQTCWSFNX-GXSJLCMTSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000668995962 487844947 /nfs/dbraw/zinc/84/49/47/487844947.db2.gz SBCVOXQTCWSFNX-GXSJLCMTSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@H]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000558446630 322950281 /nfs/dbraw/zinc/95/02/81/322950281.db2.gz VINVNRVVHBXDGF-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1ccnc(NC(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000666643109 487850606 /nfs/dbraw/zinc/85/06/06/487850606.db2.gz DFKWGQDHJMPMKJ-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1ccnc(NC(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000666643109 487850614 /nfs/dbraw/zinc/85/06/14/487850614.db2.gz DFKWGQDHJMPMKJ-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCSC1 ZINC000558517408 322951329 /nfs/dbraw/zinc/95/13/29/322951329.db2.gz ZTQNYQQNQCVSNX-VIFPVBQESA-N 1 2 239.344 1.212 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)CCCC2 ZINC000681756433 487855759 /nfs/dbraw/zinc/85/57/59/487855759.db2.gz PVMKFZIBUPVDQP-UHFFFAOYSA-N 1 2 219.288 1.286 20 0 BDADLO Cc1c[nH+]cc(NC[C@H]2CNc3ccnn3C2)c1 ZINC000676493618 487857104 /nfs/dbraw/zinc/85/71/04/487857104.db2.gz DZRDOCFBJWLACU-NSHDSACASA-N 1 2 243.314 1.740 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC1CCOCC1 ZINC000682033295 487885197 /nfs/dbraw/zinc/88/51/97/487885197.db2.gz OYCBEXNSRUINJB-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC1CCOCC1 ZINC000682033295 487885200 /nfs/dbraw/zinc/88/52/00/487885200.db2.gz OYCBEXNSRUINJB-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC1CC1 ZINC000682032759 487885367 /nfs/dbraw/zinc/88/53/67/487885367.db2.gz JOTTXXSWVKEYSW-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC1CC1 ZINC000682032759 487885371 /nfs/dbraw/zinc/88/53/71/487885371.db2.gz JOTTXXSWVKEYSW-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO CCc1cc(N[C@@H](C)C(=O)NC(C)C)nc[nH+]1 ZINC000229197382 487890517 /nfs/dbraw/zinc/89/05/17/487890517.db2.gz KOIWFOJXTVVJOM-VIFPVBQESA-N 1 2 236.319 1.364 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nncs1 ZINC000929514221 646162539 /nfs/dbraw/zinc/16/25/39/646162539.db2.gz QPKWIWVNCNGGHL-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCOC[C@H]2C)o1 ZINC000676710687 487899558 /nfs/dbraw/zinc/89/95/58/487899558.db2.gz BLPMNPABPLPFKC-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCOC[C@H]2C)o1 ZINC000676710687 487899561 /nfs/dbraw/zinc/89/95/61/487899561.db2.gz BLPMNPABPLPFKC-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CN(C(=O)C[N@H+]1CC=CCC1)c1nccs1 ZINC000679324185 487905837 /nfs/dbraw/zinc/90/58/37/487905837.db2.gz NSBATGGAHWVOCZ-UHFFFAOYSA-N 1 2 237.328 1.368 20 0 BDADLO CN(C(=O)C[N@@H+]1CC=CCC1)c1nccs1 ZINC000679324185 487905843 /nfs/dbraw/zinc/90/58/43/487905843.db2.gz NSBATGGAHWVOCZ-UHFFFAOYSA-N 1 2 237.328 1.368 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC=CCC1 ZINC000679324370 487906410 /nfs/dbraw/zinc/90/64/10/487906410.db2.gz QLYFHBJSJINVHK-UHFFFAOYSA-N 1 2 248.330 1.237 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC=CCC1 ZINC000679324370 487906418 /nfs/dbraw/zinc/90/64/18/487906418.db2.gz QLYFHBJSJINVHK-UHFFFAOYSA-N 1 2 248.330 1.237 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(C)(F)F)C1CC1 ZINC000357695444 487917117 /nfs/dbraw/zinc/91/71/17/487917117.db2.gz FECUDTHNWUTQPP-QMMMGPOBSA-N 1 2 221.247 1.573 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCNc1ccccn1 ZINC000679343473 487920488 /nfs/dbraw/zinc/92/04/88/487920488.db2.gz AADMQWQXEXHHMJ-SNVBAGLBSA-N 1 2 245.330 1.876 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792479 487929059 /nfs/dbraw/zinc/92/90/59/487929059.db2.gz CMVBZIWNQQFFEX-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676792479 487929060 /nfs/dbraw/zinc/92/90/60/487929060.db2.gz CMVBZIWNQQFFEX-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792479 487929064 /nfs/dbraw/zinc/92/90/64/487929064.db2.gz CMVBZIWNQQFFEX-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676792479 487929067 /nfs/dbraw/zinc/92/90/67/487929067.db2.gz CMVBZIWNQQFFEX-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CC1(C)C[C@H](Nc2nc[nH+]c(N)c2Cl)CO1 ZINC000396457287 487934578 /nfs/dbraw/zinc/93/45/78/487934578.db2.gz BMNWXHSRLQMRFZ-LURJTMIESA-N 1 2 242.710 1.692 20 0 BDADLO CC1(C)C[C@H](Nc2[nH+]cnc(N)c2Cl)CO1 ZINC000396457287 487934580 /nfs/dbraw/zinc/93/45/80/487934580.db2.gz BMNWXHSRLQMRFZ-LURJTMIESA-N 1 2 242.710 1.692 20 0 BDADLO COc1ccc(C[NH+]2CCC(F)(F)CC2)nn1 ZINC000669935343 487939846 /nfs/dbraw/zinc/93/98/46/487939846.db2.gz RNPIRHWXCCYCIJ-UHFFFAOYSA-N 1 2 243.257 1.716 20 0 BDADLO CCc1cc(NC[C@H](C)c2nncn2C)nc[nH+]1 ZINC000684589150 487943462 /nfs/dbraw/zinc/94/34/62/487943462.db2.gz GAPUYPICWGOYJF-VIFPVBQESA-N 1 2 246.318 1.383 20 0 BDADLO Cc1nc(N(C)Cc2ccccc2)nc(N)[nH+]1 ZINC000147047558 487943778 /nfs/dbraw/zinc/94/37/78/487943778.db2.gz MIVCNYPZJAEGTN-UHFFFAOYSA-N 1 2 229.287 1.399 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2ccccc2)[nH+]1 ZINC000147047558 487943783 /nfs/dbraw/zinc/94/37/83/487943783.db2.gz MIVCNYPZJAEGTN-UHFFFAOYSA-N 1 2 229.287 1.399 20 0 BDADLO CO[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000679934055 487945591 /nfs/dbraw/zinc/94/55/91/487945591.db2.gz WAFFHMWATDZWCU-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000676942630 487948079 /nfs/dbraw/zinc/94/80/79/487948079.db2.gz XFPPAQMPLHBGLT-SNVBAGLBSA-N 1 2 209.293 1.434 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000667153647 487949593 /nfs/dbraw/zinc/94/95/93/487949593.db2.gz SLSAKHARQIQKJD-GXSJLCMTSA-N 1 2 247.342 1.677 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000667153647 487949598 /nfs/dbraw/zinc/94/95/98/487949598.db2.gz SLSAKHARQIQKJD-GXSJLCMTSA-N 1 2 247.342 1.677 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000667153648 487949844 /nfs/dbraw/zinc/94/98/44/487949844.db2.gz SLSAKHARQIQKJD-KOLCDFICSA-N 1 2 247.342 1.677 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000667153648 487949848 /nfs/dbraw/zinc/94/98/48/487949848.db2.gz SLSAKHARQIQKJD-KOLCDFICSA-N 1 2 247.342 1.677 20 0 BDADLO COC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000074768102 323003038 /nfs/dbraw/zinc/00/30/38/323003038.db2.gz QEXSZVJJJSPLNT-UHFFFAOYSA-N 1 2 240.328 1.632 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000561720656 323005915 /nfs/dbraw/zinc/00/59/15/323005915.db2.gz URTAJWMIAQANRK-GMTAPVOTSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000128934607 323007896 /nfs/dbraw/zinc/00/78/96/323007896.db2.gz IVPZPMACDJMNAG-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000128934607 323007897 /nfs/dbraw/zinc/00/78/97/323007897.db2.gz IVPZPMACDJMNAG-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO CSCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427991019 323017409 /nfs/dbraw/zinc/01/74/09/323017409.db2.gz JPJVHENZJWLFKX-SECBINFHSA-N 1 2 239.344 1.067 20 0 BDADLO CC(C)(NC(=O)c1ccc(F)cn1)c1[nH]cc[nH+]1 ZINC000565108239 323023741 /nfs/dbraw/zinc/02/37/41/323023741.db2.gz SYFXDOAWDPJNRU-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000562679098 323027319 /nfs/dbraw/zinc/02/73/19/323027319.db2.gz HHMPHWQKEHPPQO-UHFFFAOYSA-N 1 2 247.342 1.090 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000562679098 323027320 /nfs/dbraw/zinc/02/73/20/323027320.db2.gz HHMPHWQKEHPPQO-UHFFFAOYSA-N 1 2 247.342 1.090 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000562778842 323030533 /nfs/dbraw/zinc/03/05/33/323030533.db2.gz DSJZRAVSDFKZQP-GHMZBOCLSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000570454256 323060254 /nfs/dbraw/zinc/06/02/54/323060254.db2.gz CPDQPPQOBPFXPJ-VHSXEESVSA-N 1 2 239.344 1.600 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000570454256 323060255 /nfs/dbraw/zinc/06/02/55/323060255.db2.gz CPDQPPQOBPFXPJ-VHSXEESVSA-N 1 2 239.344 1.600 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(C(=O)C2CC2)CC1 ZINC000570787119 323070207 /nfs/dbraw/zinc/07/02/07/323070207.db2.gz YMQYQFKZTHIYBW-UHFFFAOYSA-N 1 2 244.294 1.510 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCSC1 ZINC000570860452 323072693 /nfs/dbraw/zinc/07/26/93/323072693.db2.gz GYMXAZUZBFUSIM-BDAKNGLRSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCSC1 ZINC000570860452 323072694 /nfs/dbraw/zinc/07/26/94/323072694.db2.gz GYMXAZUZBFUSIM-BDAKNGLRSA-N 1 2 239.344 1.210 20 0 BDADLO COc1ccc[nH+]c1N1CCC(CO)CC1 ZINC000160304465 323075398 /nfs/dbraw/zinc/07/53/98/323075398.db2.gz FOGSAJRAEVTYJY-UHFFFAOYSA-N 1 2 222.288 1.299 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)CC1CC1 ZINC000053611013 323077389 /nfs/dbraw/zinc/07/73/89/323077389.db2.gz UGVYIAWWGQOZIZ-UHFFFAOYSA-N 1 2 207.277 1.789 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)CC1CC1 ZINC000053611013 323077390 /nfs/dbraw/zinc/07/73/90/323077390.db2.gz UGVYIAWWGQOZIZ-UHFFFAOYSA-N 1 2 207.277 1.789 20 0 BDADLO CC(C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000562972039 323077584 /nfs/dbraw/zinc/07/75/84/323077584.db2.gz RCTPBQVPAHMBPK-SECBINFHSA-N 1 2 227.333 1.305 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000526055518 323079812 /nfs/dbraw/zinc/07/98/12/323079812.db2.gz SMUWCWWBXOKPNL-YIZRAAEISA-N 1 2 241.364 1.097 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000526055518 323079813 /nfs/dbraw/zinc/07/98/13/323079813.db2.gz SMUWCWWBXOKPNL-YIZRAAEISA-N 1 2 241.364 1.097 20 0 BDADLO O=C([C@@H]1C[C@H]1C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000531195852 323085137 /nfs/dbraw/zinc/08/51/37/323085137.db2.gz LETHNXFGSJWDMO-NWDGAFQWSA-N 1 2 231.299 1.313 20 0 BDADLO O=C(c1cncc(F)c1)N1CC(n2cc[nH+]c2)C1 ZINC000531578536 323109718 /nfs/dbraw/zinc/10/97/18/323109718.db2.gz NEDRIFATRRHCOZ-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO CCc1nnc(C[N@H+](C)CC(C)(C)OC)o1 ZINC000531575485 323110247 /nfs/dbraw/zinc/11/02/47/323110247.db2.gz BJSCLUUNQSHRLA-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC(C)(C)OC)o1 ZINC000531575485 323110248 /nfs/dbraw/zinc/11/02/48/323110248.db2.gz BJSCLUUNQSHRLA-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CC(C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000534294333 323115561 /nfs/dbraw/zinc/11/55/61/323115561.db2.gz XYSIIMOJZZFNCU-UHFFFAOYSA-N 1 2 221.304 1.578 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCOCC1CC1)C1CC1 ZINC000534315233 323116362 /nfs/dbraw/zinc/11/63/62/323116362.db2.gz PLBXRTIIUQYLMN-ZDUSSCGKSA-N 1 2 241.331 1.344 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2[nH]cnc2c1 ZINC000534350597 323117504 /nfs/dbraw/zinc/11/75/04/323117504.db2.gz GXGFAGXTNFRQHW-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2[nH]cnc2c1 ZINC000534350597 323117505 /nfs/dbraw/zinc/11/75/05/323117505.db2.gz GXGFAGXTNFRQHW-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2nc[nH]c2c1 ZINC000534350597 323117506 /nfs/dbraw/zinc/11/75/06/323117506.db2.gz GXGFAGXTNFRQHW-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2nc[nH]c2c1 ZINC000534350597 323117507 /nfs/dbraw/zinc/11/75/07/323117507.db2.gz GXGFAGXTNFRQHW-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1O ZINC000401738479 323119032 /nfs/dbraw/zinc/11/90/32/323119032.db2.gz DSUNGQSQELDTEQ-UHFFFAOYSA-N 1 2 245.282 1.098 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(C)(F)F ZINC000563423274 323124253 /nfs/dbraw/zinc/12/42/53/323124253.db2.gz DRKJQTCODBFCIO-UHFFFAOYSA-N 1 2 201.220 1.582 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1nccn1C ZINC000310003229 323125233 /nfs/dbraw/zinc/12/52/33/323125233.db2.gz FNVJYLHQTJVDNK-SNVBAGLBSA-N 1 2 219.292 1.384 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCC[C@H](C)C1 ZINC000563425638 323126089 /nfs/dbraw/zinc/12/60/89/323126089.db2.gz IKEGQJKUQCHECC-VIFPVBQESA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCC[C@H](C)C1 ZINC000563425638 323126090 /nfs/dbraw/zinc/12/60/90/323126090.db2.gz IKEGQJKUQCHECC-VIFPVBQESA-N 1 2 236.319 1.694 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563636032 323132873 /nfs/dbraw/zinc/13/28/73/323132873.db2.gz KHPDGWQEHALEBD-MNOVXSKESA-N 1 2 237.347 1.997 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563636032 323132874 /nfs/dbraw/zinc/13/28/74/323132874.db2.gz KHPDGWQEHALEBD-MNOVXSKESA-N 1 2 237.347 1.997 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000571202457 323138070 /nfs/dbraw/zinc/13/80/70/323138070.db2.gz ACEHITJOSLFKAT-SECBINFHSA-N 1 2 238.335 1.159 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000571202457 323138071 /nfs/dbraw/zinc/13/80/71/323138071.db2.gz ACEHITJOSLFKAT-SECBINFHSA-N 1 2 238.335 1.159 20 0 BDADLO CN(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000571373520 323142851 /nfs/dbraw/zinc/14/28/51/323142851.db2.gz HZKJUTZZWXXVBD-SSDOTTSWSA-N 1 2 249.236 1.544 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC/C=C/c1ccccc1 ZINC000571472392 323145628 /nfs/dbraw/zinc/14/56/28/323145628.db2.gz JVARGMRSFNDDPK-QPJJXVBHSA-N 1 2 241.294 1.713 20 0 BDADLO C[NH2+]Cc1noc([C@H](c2cccnc2)C(C)C)n1 ZINC000414638622 323150910 /nfs/dbraw/zinc/15/09/10/323150910.db2.gz FFZZNKQYYICXHH-LBPRGKRZSA-N 1 2 246.314 1.972 20 0 BDADLO CCCN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049517516 323161769 /nfs/dbraw/zinc/16/17/69/323161769.db2.gz SZDVNSZTCDTZJS-SNVBAGLBSA-N 1 2 224.308 1.323 20 0 BDADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)n(C)n1 ZINC000535035227 323164130 /nfs/dbraw/zinc/16/41/30/323164130.db2.gz QWYARLGPPIYSJT-UHFFFAOYSA-N 1 2 244.298 1.415 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnoc2C)cn1 ZINC000526083287 323187970 /nfs/dbraw/zinc/18/79/70/323187970.db2.gz AVISFCQWBZLXIO-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnoc2C)cn1 ZINC000526083287 323187971 /nfs/dbraw/zinc/18/79/71/323187971.db2.gz AVISFCQWBZLXIO-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(F)c1 ZINC000094195850 323188509 /nfs/dbraw/zinc/18/85/09/323188509.db2.gz HMPYPXLEXBMUIR-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO Cc1cc(NC(=O)C2CCOCC2)c(C)c[nH+]1 ZINC000535748580 323190324 /nfs/dbraw/zinc/19/03/24/323190324.db2.gz RHQVXZSZZOLBIG-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C3CC3)CC2)c[nH+]1 ZINC000535880918 323193756 /nfs/dbraw/zinc/19/37/56/323193756.db2.gz YLZORPVHBLPQNK-UHFFFAOYSA-N 1 2 205.261 1.391 20 0 BDADLO CCOCC(=O)Nc1cc(C)[nH+]cc1C ZINC000536574430 323197926 /nfs/dbraw/zinc/19/79/26/323197926.db2.gz NPPNCDDNMOOBDH-UHFFFAOYSA-N 1 2 208.261 1.095 20 0 BDADLO CO[C@H]1CCN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000536619377 323198703 /nfs/dbraw/zinc/19/87/03/323198703.db2.gz LMLQZSCMQXDOKQ-NSHDSACASA-N 1 2 249.314 1.373 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2cccc3[nH+]ccn32)CO1 ZINC000526133132 323241413 /nfs/dbraw/zinc/24/14/13/323241413.db2.gz XRDXZBQQSZQWRL-ZJUUUORDSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(C2CC2)CC1 ZINC000532369991 323258047 /nfs/dbraw/zinc/25/80/47/323258047.db2.gz NESPPCRLTSRGQK-SNVBAGLBSA-N 1 2 248.330 1.513 20 0 BDADLO Cc1ncsc1CC[N@@H+]1CCn2nncc2C1 ZINC000563970766 323336594 /nfs/dbraw/zinc/33/65/94/323336594.db2.gz MBFHLVSEAQGCCJ-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO Cc1ncsc1CC[N@H+]1CCn2nncc2C1 ZINC000563970766 323336598 /nfs/dbraw/zinc/33/65/98/323336598.db2.gz MBFHLVSEAQGCCJ-UHFFFAOYSA-N 1 2 249.343 1.101 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547770351 323345303 /nfs/dbraw/zinc/34/53/03/323345303.db2.gz NYYQKZMMWLDRPU-HRDYMLBCSA-N 1 2 239.344 1.953 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547770351 323345307 /nfs/dbraw/zinc/34/53/07/323345307.db2.gz NYYQKZMMWLDRPU-HRDYMLBCSA-N 1 2 239.344 1.953 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CCCC1 ZINC000667212150 487959116 /nfs/dbraw/zinc/95/91/16/487959116.db2.gz FNBRCRNXHDQVJB-GHMZBOCLSA-N 1 2 247.342 1.973 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cncc(C)c2)n1 ZINC000527923109 323729501 /nfs/dbraw/zinc/72/95/01/323729501.db2.gz JTLWNPRGWHIOCF-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO CCn1ncc(CN[C@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000527924141 323730426 /nfs/dbraw/zinc/73/04/26/323730426.db2.gz PMMFPJWQEHKGID-KOLCDFICSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1cc(N[C@@]23C[C@@H]2COC3(C)C)nc[nH+]1 ZINC000528125639 323770076 /nfs/dbraw/zinc/77/00/76/323770076.db2.gz FJFUUTNOHAKFFE-SKDRFNHKSA-N 1 2 219.288 1.764 20 0 BDADLO C[C@H](NC(=O)N1CC[C@H](F)C1)c1[nH+]ccn1C ZINC000667248923 487961817 /nfs/dbraw/zinc/96/18/17/487961817.db2.gz IWMVUPVILRNERQ-IUCAKERBSA-N 1 2 240.282 1.235 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)OC(C)(C)C)c1 ZINC000117984580 323904081 /nfs/dbraw/zinc/90/40/81/323904081.db2.gz UAVBHJDVZOWDSC-UHFFFAOYSA-N 1 2 225.292 1.487 20 0 BDADLO C[C@H](NC(=O)N1C[C@@H](C)[C@H]1C)c1[nH+]ccn1C ZINC000667248894 487961961 /nfs/dbraw/zinc/96/19/61/487961961.db2.gz IHIYQRAESRTIJX-KXUCPTDWSA-N 1 2 236.319 1.531 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119508318 323926418 /nfs/dbraw/zinc/92/64/18/323926418.db2.gz JXBKHDWEGGYBOT-GRYCIOLGSA-N 1 2 247.342 1.845 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccc(CO)o2)cn1 ZINC000537623796 324088597 /nfs/dbraw/zinc/08/85/97/324088597.db2.gz NLUUEJPYCLARLT-UHFFFAOYSA-N 1 2 249.314 1.620 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccc(CO)o2)cn1 ZINC000537623796 324088600 /nfs/dbraw/zinc/08/86/00/324088600.db2.gz NLUUEJPYCLARLT-UHFFFAOYSA-N 1 2 249.314 1.620 20 0 BDADLO CCN(Cc1cn2cc(C)ccc2[nH+]1)C1COC1 ZINC000449424045 324140108 /nfs/dbraw/zinc/14/01/08/324140108.db2.gz JLEVXXVZKPNBBL-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)C ZINC000304289879 324198297 /nfs/dbraw/zinc/19/82/97/324198297.db2.gz YVXJIJLVICQFNI-UWVGGRQHSA-N 1 2 231.336 1.181 20 0 BDADLO Cc1cocc1C(=O)NCCc1c[nH+]cn1C ZINC000529006829 324230604 /nfs/dbraw/zinc/23/06/04/324230604.db2.gz TVVUKSYVTJYYTO-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO Cc1cocc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000529363214 324279974 /nfs/dbraw/zinc/27/99/74/324279974.db2.gz AJQWVDUBFAZDLO-UHFFFAOYSA-N 1 2 246.270 1.029 20 0 BDADLO Cc1cocc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000529459241 324304811 /nfs/dbraw/zinc/30/48/11/324304811.db2.gz PNOBFDDXVNZXGE-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(F)cn2)[nH]1 ZINC000529544513 324334539 /nfs/dbraw/zinc/33/45/39/324334539.db2.gz PAGILTOXZZYJOH-QMMMGPOBSA-N 1 2 249.293 1.752 20 0 BDADLO Cc1scnc1NC(=O)CCn1cc[nH+]c1 ZINC000529550598 324338332 /nfs/dbraw/zinc/33/83/32/324338332.db2.gz XHXABAMCANAKME-UHFFFAOYSA-N 1 2 236.300 1.677 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529574330 324347923 /nfs/dbraw/zinc/34/79/23/324347923.db2.gz QHHDQDZZCZTHQT-GRYCIOLGSA-N 1 2 233.315 1.436 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000529708636 324381673 /nfs/dbraw/zinc/38/16/73/324381673.db2.gz LDLFUULQQKOTKR-LLVKDONJSA-N 1 2 245.326 1.597 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000529708636 324381676 /nfs/dbraw/zinc/38/16/76/324381676.db2.gz LDLFUULQQKOTKR-LLVKDONJSA-N 1 2 245.326 1.597 20 0 BDADLO CCn1nc(C)cc1NC(=O)Cc1c[nH+]cn1C ZINC000530138658 324494511 /nfs/dbraw/zinc/49/45/11/324494511.db2.gz XAUCTJULLRILMU-UHFFFAOYSA-N 1 2 247.302 1.126 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ncn(C)n2)s1 ZINC000218952027 324494631 /nfs/dbraw/zinc/49/46/31/324494631.db2.gz OEKJXDWNRNHUBS-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO O=C(CC1CCSCC1)NCc1[nH]cc[nH+]1 ZINC000125406553 324640085 /nfs/dbraw/zinc/64/00/85/324640085.db2.gz CTVWANIMDGTRIC-UHFFFAOYSA-N 1 2 239.344 1.559 20 0 BDADLO CCC1(CO)CC[NH+](Cc2csnn2)CC1 ZINC000128448368 324839547 /nfs/dbraw/zinc/83/95/47/324839547.db2.gz OXOICPAOSHUBMZ-UHFFFAOYSA-N 1 2 241.360 1.523 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)C12CCC(CC1)C2 ZINC000541423234 324958639 /nfs/dbraw/zinc/95/86/39/324958639.db2.gz PRDUQYLFEOSCOT-UHFFFAOYSA-N 1 2 245.326 1.847 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541880591 324987987 /nfs/dbraw/zinc/98/79/87/324987987.db2.gz LALCKKKIDOUCNT-GHMZBOCLSA-N 1 2 235.331 1.949 20 0 BDADLO O=C(/C=C/c1cccnc1)NCc1[nH]cc[nH+]1 ZINC000070990490 325048968 /nfs/dbraw/zinc/04/89/68/325048968.db2.gz HVVGXFAYMZIBQF-ONEGZZNKSA-N 1 2 228.255 1.134 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nncn1C ZINC000543050949 325068863 /nfs/dbraw/zinc/06/88/63/325068863.db2.gz OCDQLDACTBFRAB-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO Cc1ccc(NC(=O)c2nccnc2N)c(C)[nH+]1 ZINC000130714141 325082229 /nfs/dbraw/zinc/08/22/29/325082229.db2.gz HFBZAJLOUZIWML-UHFFFAOYSA-N 1 2 243.270 1.323 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000131451021 325152768 /nfs/dbraw/zinc/15/27/68/325152768.db2.gz PZUGZRYMTWOKPZ-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000131451021 325152770 /nfs/dbraw/zinc/15/27/70/325152770.db2.gz PZUGZRYMTWOKPZ-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC(C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000132400323 325214655 /nfs/dbraw/zinc/21/46/55/325214655.db2.gz JKSBNJUGNHUMDS-UHFFFAOYSA-N 1 2 224.308 1.218 20 0 BDADLO Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000545685253 325232455 /nfs/dbraw/zinc/23/24/55/325232455.db2.gz OSEMHIQRBJWAEB-UHFFFAOYSA-N 1 2 228.255 1.925 20 0 BDADLO O=C1CCCN1CC[NH+]1CC(C(F)(F)F)C1 ZINC000564294170 325237917 /nfs/dbraw/zinc/23/79/17/325237917.db2.gz QMUMHQFLMIAOMM-UHFFFAOYSA-N 1 2 236.237 1.103 20 0 BDADLO C[C@H]1[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1(F)F ZINC000547308523 325338357 /nfs/dbraw/zinc/33/83/57/325338357.db2.gz RRLKYYVTOAQMSE-IONNQARKSA-N 1 2 241.241 1.168 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc(C(C)C)no1 ZINC000076495845 325346789 /nfs/dbraw/zinc/34/67/89/325346789.db2.gz QUVIVIREJPOCAA-UHFFFAOYSA-N 1 2 227.308 1.708 20 0 BDADLO Cc1ccc(CC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000134497522 325361510 /nfs/dbraw/zinc/36/15/10/325361510.db2.gz ZIQDXOCGQNWRSV-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO Cc1c[nH+]ccc1CCNc1ccncc1C#N ZINC000547511310 325366958 /nfs/dbraw/zinc/36/69/58/325366958.db2.gz YTYOMZIKCIKPCV-UHFFFAOYSA-N 1 2 238.294 1.733 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2nccc(N)n2)[C@H]1C ZINC000135087800 325392410 /nfs/dbraw/zinc/39/24/10/325392410.db2.gz SLLYFTNWHWTNEI-IUCAKERBSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2nccc(N)n2)[C@H]1C ZINC000135087800 325392411 /nfs/dbraw/zinc/39/24/11/325392411.db2.gz SLLYFTNWHWTNEI-IUCAKERBSA-N 1 2 238.360 1.385 20 0 BDADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)c1cnn(C)c1 ZINC000547764232 325393614 /nfs/dbraw/zinc/39/36/14/325393614.db2.gz KKXZARGQPZCBTO-UHFFFAOYSA-N 1 2 247.302 1.084 20 0 BDADLO CN(C(=O)C(C)(C)c1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000547764232 325393615 /nfs/dbraw/zinc/39/36/15/325393615.db2.gz KKXZARGQPZCBTO-UHFFFAOYSA-N 1 2 247.302 1.084 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000547864170 325409710 /nfs/dbraw/zinc/40/97/10/325409710.db2.gz RVFCEZXNJFCDKG-RYUDHWBXSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548190874 325440088 /nfs/dbraw/zinc/44/00/88/325440088.db2.gz OLFJFQYKOAPGAS-NSHDSACASA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc(CC(=O)Nc2cc[nH+]cc2C)cn1 ZINC000548692985 325473421 /nfs/dbraw/zinc/47/34/21/325473421.db2.gz GLAMUILNVTYMKP-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO Cc1[nH]c(C(=O)NC(C)(C)C(C)C)c[nH+]1 ZINC000549749182 325514212 /nfs/dbraw/zinc/51/42/12/325514212.db2.gz LFXNFOSUNGLLHG-UHFFFAOYSA-N 1 2 209.293 1.883 20 0 BDADLO CCN(C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000082323412 325537036 /nfs/dbraw/zinc/53/70/36/325537036.db2.gz SAMUITHTQAQEKO-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CCOC1CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000554506336 325722739 /nfs/dbraw/zinc/72/27/39/325722739.db2.gz XGVHVQBYPFABFF-UHFFFAOYSA-N 1 2 249.314 1.082 20 0 BDADLO CC[C@H](NC(=O)c1ccsn1)c1[nH]cc[nH+]1 ZINC000556246086 325786928 /nfs/dbraw/zinc/78/69/28/325786928.db2.gz WGXYFKPDBZHONB-ZETCQYMHSA-N 1 2 236.300 1.747 20 0 BDADLO Cc1cccnc1-c1noc(Cn2cc[nH+]c2)n1 ZINC000564654001 325801486 /nfs/dbraw/zinc/80/14/86/325801486.db2.gz YZIKAOWFUYJSTR-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682491467 487970758 /nfs/dbraw/zinc/97/07/58/487970758.db2.gz GMQNFSJEIGVXQT-MRVPVSSYSA-N 1 2 243.257 1.169 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@H](C)[NH+]2CC(C)C2)n1 ZINC000565374769 325903923 /nfs/dbraw/zinc/90/39/23/325903923.db2.gz XJBHBEYDTMWIQH-JTQLQIEISA-N 1 2 249.314 1.374 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CC1(C)C ZINC000566020233 325985626 /nfs/dbraw/zinc/98/56/26/325985626.db2.gz JNIAAQQVCNAVLO-JTQLQIEISA-N 1 2 205.305 1.973 20 0 BDADLO COC(=O)CC1(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC000566138945 326001092 /nfs/dbraw/zinc/00/10/92/326001092.db2.gz URBSHSWUJZVORD-UHFFFAOYSA-N 1 2 246.310 1.741 20 0 BDADLO COC(=O)CC1(C[N@H+]2Cc3cccnc3C2)CC1 ZINC000566138945 326001095 /nfs/dbraw/zinc/00/10/95/326001095.db2.gz URBSHSWUJZVORD-UHFFFAOYSA-N 1 2 246.310 1.741 20 0 BDADLO C[C@H](CC(=O)N1CCOC[C@H]1C)n1cc[nH+]c1 ZINC000566303765 326031079 /nfs/dbraw/zinc/03/10/79/326031079.db2.gz KDZZTAUYLHYZTJ-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO CSC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418312 326039266 /nfs/dbraw/zinc/03/92/66/326039266.db2.gz DQIZVCOMXFJPMI-CBAPKCEASA-N 1 2 245.348 1.095 20 0 BDADLO CSC[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418312 326039269 /nfs/dbraw/zinc/03/92/69/326039269.db2.gz DQIZVCOMXFJPMI-CBAPKCEASA-N 1 2 245.348 1.095 20 0 BDADLO CC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418932 326043297 /nfs/dbraw/zinc/04/32/97/326043297.db2.gz LJDPZHHAPJAFHA-IONNQARKSA-N 1 2 213.281 1.142 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418932 326043298 /nfs/dbraw/zinc/04/32/98/326043298.db2.gz LJDPZHHAPJAFHA-IONNQARKSA-N 1 2 213.281 1.142 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000566447167 326049518 /nfs/dbraw/zinc/04/95/18/326049518.db2.gz RQGVXDPMMGZXBB-CMPLNLGQSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000566447167 326049521 /nfs/dbraw/zinc/04/95/21/326049521.db2.gz RQGVXDPMMGZXBB-CMPLNLGQSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)o1 ZINC000566469756 326052810 /nfs/dbraw/zinc/05/28/10/326052810.db2.gz HEBKKVCAPYLJIJ-ZCFIWIBFSA-N 1 2 234.259 1.506 20 0 BDADLO c1nnc([C@@H]([NH2+]CC2CC2)c2cccnc2)[nH]1 ZINC000566575973 326065878 /nfs/dbraw/zinc/06/58/78/326065878.db2.gz LUGKJPVSWPVVQQ-NSHDSACASA-N 1 2 229.287 1.289 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000566678023 326073454 /nfs/dbraw/zinc/07/34/54/326073454.db2.gz MAVBQDJQQXEVPN-FBIMIBRVSA-N 1 2 226.276 1.047 20 0 BDADLO CC[C@H](CSC)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000566982507 326099466 /nfs/dbraw/zinc/09/94/66/326099466.db2.gz ILFOKQKLOCEAAS-SNVBAGLBSA-N 1 2 244.404 1.586 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000682504402 487971626 /nfs/dbraw/zinc/97/16/26/487971626.db2.gz GGZNCBBMANLVHZ-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC(C)(C)CO)ccn12 ZINC000567177696 326130088 /nfs/dbraw/zinc/13/00/88/326130088.db2.gz NZRGHANIIIOEQV-UHFFFAOYSA-N 1 2 247.298 1.143 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(O)cc1F ZINC000154885083 326169548 /nfs/dbraw/zinc/16/95/48/326169548.db2.gz CFGQBGUPYSVQOL-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC(F)(F)F ZINC000567367172 326176310 /nfs/dbraw/zinc/17/63/10/326176310.db2.gz WWXMQBIENXBJMD-UHFFFAOYSA-N 1 2 235.209 1.472 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000567486100 326202655 /nfs/dbraw/zinc/20/26/55/326202655.db2.gz ZVQRBQKQOOSRHK-YJQGPUDQSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000567486100 326202657 /nfs/dbraw/zinc/20/26/57/326202657.db2.gz ZVQRBQKQOOSRHK-YJQGPUDQSA-N 1 2 233.315 1.503 20 0 BDADLO COc1cc(C(=O)Nc2cc[nH+]cc2C)on1 ZINC000155870518 326213540 /nfs/dbraw/zinc/21/35/40/326213540.db2.gz PNYQEVZXONWLJX-UHFFFAOYSA-N 1 2 233.227 1.639 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NC(C)(C)C)[C@@H]1C ZINC000156246208 326224679 /nfs/dbraw/zinc/22/46/79/326224679.db2.gz CQFOYKFMTIQEJU-NXEZZACHSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1C ZINC000156246208 326224684 /nfs/dbraw/zinc/22/46/84/326224684.db2.gz CQFOYKFMTIQEJU-NXEZZACHSA-N 1 2 228.336 1.010 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cccc(C)n1 ZINC000567771420 326257090 /nfs/dbraw/zinc/25/70/90/326257090.db2.gz DQMTVUJCCNZSEI-LLVKDONJSA-N 1 2 236.315 1.426 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cccc(C)n1 ZINC000567771420 326257093 /nfs/dbraw/zinc/25/70/93/326257093.db2.gz DQMTVUJCCNZSEI-LLVKDONJSA-N 1 2 236.315 1.426 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000567985901 326291808 /nfs/dbraw/zinc/29/18/08/326291808.db2.gz BZJNXMXELZHEJF-SNVBAGLBSA-N 1 2 241.360 1.703 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000567985901 326291809 /nfs/dbraw/zinc/29/18/09/326291809.db2.gz BZJNXMXELZHEJF-SNVBAGLBSA-N 1 2 241.360 1.703 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567996767 326293965 /nfs/dbraw/zinc/29/39/65/326293965.db2.gz VTQDKYSTLPCMIM-TUAOUCFPSA-N 1 2 235.331 1.997 20 0 BDADLO CC(=O)c1cc(CN2CC[N@@H+](C)C[C@H]2C)on1 ZINC000568169836 326319299 /nfs/dbraw/zinc/31/92/99/326319299.db2.gz VKIPVKABCZRZKA-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CC(=O)c1cc(CN2CC[N@H+](C)C[C@H]2C)on1 ZINC000568169836 326319300 /nfs/dbraw/zinc/31/93/00/326319300.db2.gz VKIPVKABCZRZKA-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC000158404541 326319441 /nfs/dbraw/zinc/31/94/41/326319441.db2.gz FSCPMJHPLHULLN-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC000158404541 326319443 /nfs/dbraw/zinc/31/94/43/326319443.db2.gz FSCPMJHPLHULLN-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCC1 ZINC000568184698 326322761 /nfs/dbraw/zinc/32/27/61/326322761.db2.gz FNVRPCAWYWCFSL-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCC1 ZINC000568184698 326322763 /nfs/dbraw/zinc/32/27/63/326322763.db2.gz FNVRPCAWYWCFSL-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO CCC(CC)(CO)C(=O)Nc1cc[nH+]c(C)c1 ZINC000568198941 326324988 /nfs/dbraw/zinc/32/49/88/326324988.db2.gz MMQKZHPNDXIQNX-UHFFFAOYSA-N 1 2 236.315 1.549 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507099 326360535 /nfs/dbraw/zinc/36/05/35/326360535.db2.gz JHAGVSZKPXLQFJ-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507099 326360537 /nfs/dbraw/zinc/36/05/37/326360537.db2.gz JHAGVSZKPXLQFJ-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]1C[C@@H](Nc2nc(N)c3ccccc3[nH+]2)CO1 ZINC000568994772 326385189 /nfs/dbraw/zinc/38/51/89/326385189.db2.gz HATSRYZEEYIXRF-RKDXNWHRSA-N 1 2 244.298 1.054 20 0 BDADLO C[C@H](CC(=O)NCCC(C)(C)O)n1cc[nH+]c1 ZINC000568991292 326385273 /nfs/dbraw/zinc/38/52/73/326385273.db2.gz RHQGXCCSNOMQAT-SNVBAGLBSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CC(F)(F)F ZINC000568990566 326385371 /nfs/dbraw/zinc/38/53/71/326385371.db2.gz LGGQFMPKPAPIPL-QMMMGPOBSA-N 1 2 249.236 1.588 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000569163501 326393184 /nfs/dbraw/zinc/39/31/84/326393184.db2.gz HCZSPNCOMIADGY-BDAKNGLRSA-N 1 2 246.314 1.300 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000569163502 326393245 /nfs/dbraw/zinc/39/32/45/326393245.db2.gz HCZSPNCOMIADGY-RKDXNWHRSA-N 1 2 246.314 1.300 20 0 BDADLO CCc1cc(N[C@@H]2CCN(CC)C2=O)nc[nH+]1 ZINC000669972854 487973600 /nfs/dbraw/zinc/97/36/00/487973600.db2.gz MGAZIYNYWHBJPD-SNVBAGLBSA-N 1 2 234.303 1.072 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(C)C1 ZINC000655039080 487974778 /nfs/dbraw/zinc/97/47/78/487974778.db2.gz YZWDFKKWKOUNAT-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(C)C1 ZINC000655039080 487974782 /nfs/dbraw/zinc/97/47/82/487974782.db2.gz YZWDFKKWKOUNAT-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO O[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543608 487982071 /nfs/dbraw/zinc/98/20/71/487982071.db2.gz OFDLJSOVHKFGSS-NXEZZACHSA-N 1 2 217.259 1.797 20 0 BDADLO O[C@H]1C[N@H+]([C@@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543608 487982076 /nfs/dbraw/zinc/98/20/76/487982076.db2.gz OFDLJSOVHKFGSS-NXEZZACHSA-N 1 2 217.259 1.797 20 0 BDADLO CCCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523150 487988721 /nfs/dbraw/zinc/98/87/21/487988721.db2.gz XWEPJUQWZNEMGJ-SECBINFHSA-N 1 2 221.304 1.431 20 0 BDADLO CCCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523150 487988724 /nfs/dbraw/zinc/98/87/24/487988724.db2.gz XWEPJUQWZNEMGJ-SECBINFHSA-N 1 2 221.304 1.431 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000220517035 487988234 /nfs/dbraw/zinc/98/82/34/487988234.db2.gz VNSPAIBXTXIXDI-GHMZBOCLSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000220517035 487988237 /nfs/dbraw/zinc/98/82/37/487988237.db2.gz VNSPAIBXTXIXDI-GHMZBOCLSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CCO1 ZINC000682558313 487989283 /nfs/dbraw/zinc/98/92/83/487989283.db2.gz KSIKHKVTOURWKM-VWYCJHECSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](O)CC(F)(F)C2)CCO1 ZINC000682558313 487989287 /nfs/dbraw/zinc/98/92/87/487989287.db2.gz KSIKHKVTOURWKM-VWYCJHECSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1CCCN1c1nc[nH+]c2c1OCCN2 ZINC000665704022 487994161 /nfs/dbraw/zinc/99/41/61/487994161.db2.gz RKFYEPXQKMMUQN-MRVPVSSYSA-N 1 2 220.276 1.270 20 0 BDADLO C[C@@H]1CCCN1c1[nH+]cnc2c1OCCN2 ZINC000665704022 487994166 /nfs/dbraw/zinc/99/41/66/487994166.db2.gz RKFYEPXQKMMUQN-MRVPVSSYSA-N 1 2 220.276 1.270 20 0 BDADLO OC[C@H](CC1CC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000677237527 488003775 /nfs/dbraw/zinc/00/37/75/488003775.db2.gz UXGYTRZTKNQMNI-NSHDSACASA-N 1 2 233.315 1.927 20 0 BDADLO CCc1cc(N(C)C[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000677239360 488004837 /nfs/dbraw/zinc/00/48/37/488004837.db2.gz FHDRORNSDQOOLJ-PWSUYJOCSA-N 1 2 235.331 1.636 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nccs1 ZINC000655846127 488013554 /nfs/dbraw/zinc/01/35/54/488013554.db2.gz HUOYTJVBVABIAK-AAEUAGOBSA-N 1 2 246.335 1.891 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCCCO1 ZINC000682687736 488017399 /nfs/dbraw/zinc/01/73/99/488017399.db2.gz POTCDWVYUGPAFS-NSHDSACASA-N 1 2 249.314 1.390 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668622934 488023362 /nfs/dbraw/zinc/02/33/62/488023362.db2.gz GVQKRYLKEMGNTE-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668622934 488023366 /nfs/dbraw/zinc/02/33/66/488023366.db2.gz GVQKRYLKEMGNTE-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cnn3c2CCC3)cn1 ZINC000667484261 488024586 /nfs/dbraw/zinc/02/45/86/488024586.db2.gz GEWUZIPDDOFOHI-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cnn3c2CCC3)cn1 ZINC000667484261 488024588 /nfs/dbraw/zinc/02/45/88/488024588.db2.gz GEWUZIPDDOFOHI-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@H](CC)C1 ZINC000667493975 488026704 /nfs/dbraw/zinc/02/67/04/488026704.db2.gz JPRQFBBWOIOFOX-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@H](CC)C1 ZINC000667493975 488026709 /nfs/dbraw/zinc/02/67/09/488026709.db2.gz JPRQFBBWOIOFOX-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000682760083 488031994 /nfs/dbraw/zinc/03/19/94/488031994.db2.gz NVSUXRRGYPSNPM-NEPJUHHUSA-N 1 2 239.315 1.814 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000682760083 488031999 /nfs/dbraw/zinc/03/19/99/488031999.db2.gz NVSUXRRGYPSNPM-NEPJUHHUSA-N 1 2 239.315 1.814 20 0 BDADLO O=C(CCCF)NCCc1cn2ccccc2[nH+]1 ZINC000665825467 488032032 /nfs/dbraw/zinc/03/20/32/488032032.db2.gz DTGOTMGZMPQFHV-UHFFFAOYSA-N 1 2 249.289 1.743 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000669163635 488032945 /nfs/dbraw/zinc/03/29/45/488032945.db2.gz NJBFACOZZIGBRV-SECBINFHSA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000669163635 488032952 /nfs/dbraw/zinc/03/29/52/488032952.db2.gz NJBFACOZZIGBRV-SECBINFHSA-N 1 2 247.342 1.819 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000668634793 488033952 /nfs/dbraw/zinc/03/39/52/488033952.db2.gz CNXUNPZPUGESIR-CMPLNLGQSA-N 1 2 234.299 1.566 20 0 BDADLO Cc1cc(NC(=O)c2cnc3n2CCC3)cc[nH+]1 ZINC000668635602 488035045 /nfs/dbraw/zinc/03/50/45/488035045.db2.gz LZWOOUQKQUEFKB-UHFFFAOYSA-N 1 2 242.282 1.207 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccn(C)n2)nc1 ZINC000682787407 488040878 /nfs/dbraw/zinc/04/08/78/488040878.db2.gz JMEQAODEIWSKEU-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccn(C)n2)nc1 ZINC000682787407 488040880 /nfs/dbraw/zinc/04/08/80/488040880.db2.gz JMEQAODEIWSKEU-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000677471372 488043619 /nfs/dbraw/zinc/04/36/19/488043619.db2.gz LWBVVFSYPSCBCY-JTQLQIEISA-N 1 2 247.302 1.264 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCCO[C@@H](C)C1 ZINC000656117869 488051807 /nfs/dbraw/zinc/05/18/07/488051807.db2.gz MVERERGEJOCMIX-VIFPVBQESA-N 1 2 237.303 1.409 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCCOC1 ZINC000656121221 488052182 /nfs/dbraw/zinc/05/21/82/488052182.db2.gz KFNASNFHXIZDJS-VIFPVBQESA-N 1 2 223.276 1.385 20 0 BDADLO Cc1nc(CCN(C)Cc2c[nH+]c(C)n2C)no1 ZINC000667578853 488052482 /nfs/dbraw/zinc/05/24/82/488052482.db2.gz FTSWJIWRTSLKKU-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO CN(Cc1c[nH+]c2n1CCC2)[C@H]1CCOC1 ZINC000667597289 488056358 /nfs/dbraw/zinc/05/63/58/488056358.db2.gz IPADPFJYQVOUHL-JTQLQIEISA-N 1 2 221.304 1.050 20 0 BDADLO O=C(c1cnco1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677538983 488068043 /nfs/dbraw/zinc/06/80/43/488068043.db2.gz OETXWUSLJDYBRM-JTQLQIEISA-N 1 2 246.270 1.348 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1cnco1 ZINC000677553720 488070990 /nfs/dbraw/zinc/07/09/90/488070990.db2.gz CGCCACRYLZGVBT-UHFFFAOYSA-N 1 2 246.270 1.302 20 0 BDADLO c1nn2c(c1C[N@@H+]1CCOCC13CCC3)CCC2 ZINC000667651820 488074564 /nfs/dbraw/zinc/07/45/64/488074564.db2.gz JZELQMIMXLZTRO-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO c1nn2c(c1C[N@H+]1CCOCC13CCC3)CCC2 ZINC000667651820 488074566 /nfs/dbraw/zinc/07/45/66/488074566.db2.gz JZELQMIMXLZTRO-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO COC1(C[N@@H+]2CCn3cc(C)nc3C2)CCCC1 ZINC000682997027 488081769 /nfs/dbraw/zinc/08/17/69/488081769.db2.gz DUPBVCSJECYKNM-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO COC1(C[N@H+]2CCn3cc(C)nc3C2)CCCC1 ZINC000682997027 488081777 /nfs/dbraw/zinc/08/17/77/488081777.db2.gz DUPBVCSJECYKNM-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO CCC[N@@H+]1CC[C@@H](Nc2nc(C)ns2)C1 ZINC000389241352 488083704 /nfs/dbraw/zinc/08/37/04/488083704.db2.gz KUTVTOIVMAHDBE-SECBINFHSA-N 1 2 226.349 1.165 20 0 BDADLO CCC[N@H+]1CC[C@@H](Nc2nc(C)ns2)C1 ZINC000389241352 488083712 /nfs/dbraw/zinc/08/37/12/488083712.db2.gz KUTVTOIVMAHDBE-SECBINFHSA-N 1 2 226.349 1.165 20 0 BDADLO CO[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000230320333 488086020 /nfs/dbraw/zinc/08/60/20/488086020.db2.gz UEZYTZFLLXLTPZ-NSHDSACASA-N 1 2 222.288 1.189 20 0 BDADLO Cc1ccnc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000683009994 488089705 /nfs/dbraw/zinc/08/97/05/488089705.db2.gz AYKRUSHATVFPLN-GFCCVEGCSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000683009994 488089708 /nfs/dbraw/zinc/08/97/08/488089708.db2.gz AYKRUSHATVFPLN-GFCCVEGCSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@H+](C)Cc2cnccn2)c1 ZINC000683011739 488092064 /nfs/dbraw/zinc/09/20/64/488092064.db2.gz MUCIYNKNWMACEW-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccnc(C[N@@H+](C)Cc2cnccn2)c1 ZINC000683011739 488092068 /nfs/dbraw/zinc/09/20/68/488092068.db2.gz MUCIYNKNWMACEW-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000348183167 488094999 /nfs/dbraw/zinc/09/49/99/488094999.db2.gz ASBDAVQNLJKVPH-ZYHUDNBSSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000348183167 488095005 /nfs/dbraw/zinc/09/50/05/488095005.db2.gz ASBDAVQNLJKVPH-ZYHUDNBSSA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000683079159 488106125 /nfs/dbraw/zinc/10/61/25/488106125.db2.gz MHWTXEMBAVWOSC-RKDXNWHRSA-N 1 2 248.334 1.892 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000677730318 488108136 /nfs/dbraw/zinc/10/81/36/488108136.db2.gz GGVSQNYMCBNCPZ-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000677730318 488108140 /nfs/dbraw/zinc/10/81/40/488108140.db2.gz GGVSQNYMCBNCPZ-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO CC(C)(C)NC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734140 488112506 /nfs/dbraw/zinc/11/25/06/488112506.db2.gz XSMHTVFDRITQDH-UHFFFAOYSA-N 1 2 246.301 1.632 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000677735859 488113628 /nfs/dbraw/zinc/11/36/28/488113628.db2.gz VHHPBYMCJAZABD-SSDOTTSWSA-N 1 2 231.246 1.719 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000677735859 488113632 /nfs/dbraw/zinc/11/36/32/488113632.db2.gz VHHPBYMCJAZABD-SSDOTTSWSA-N 1 2 231.246 1.719 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](C(F)F)C2)nc1 ZINC000677735338 488114593 /nfs/dbraw/zinc/11/45/93/488114593.db2.gz YXYHDEMEUSLRBP-VIFPVBQESA-N 1 2 227.258 1.872 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](C(F)F)C2)nc1 ZINC000677735338 488114599 /nfs/dbraw/zinc/11/45/99/488114599.db2.gz YXYHDEMEUSLRBP-VIFPVBQESA-N 1 2 227.258 1.872 20 0 BDADLO Cn1cc(C[N@@H+]2CCCc3sccc3C2)nn1 ZINC000677762773 488117868 /nfs/dbraw/zinc/11/78/68/488117868.db2.gz RAIZBWYJHUUYQN-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1cc(C[N@H+]2CCCc3sccc3C2)nn1 ZINC000677762773 488117873 /nfs/dbraw/zinc/11/78/73/488117873.db2.gz RAIZBWYJHUUYQN-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1cc(C[NH+]2CC(Cc3ccccc3)C2)nn1 ZINC000677765572 488120573 /nfs/dbraw/zinc/12/05/73/488120573.db2.gz PQLLAFPPALJJDE-UHFFFAOYSA-N 1 2 242.326 1.490 20 0 BDADLO Cn1cc(C[N@H+](C)CCOCC2CCC2)nn1 ZINC000677768356 488121474 /nfs/dbraw/zinc/12/14/74/488121474.db2.gz UVKSIVOREAXYOT-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO Cn1cc(C[N@@H+](C)CCOCC2CCC2)nn1 ZINC000677768356 488121479 /nfs/dbraw/zinc/12/14/79/488121479.db2.gz UVKSIVOREAXYOT-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO Cc1nc(CN(C)Cc2[nH]cc[nH+]2)oc1C ZINC000677802306 488125899 /nfs/dbraw/zinc/12/58/99/488125899.db2.gz PVOWEHOUISJYTD-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO OC[C@@]1([NH2+]Cc2cocn2)CCc2ccccc21 ZINC000683203476 488129223 /nfs/dbraw/zinc/12/92/23/488129223.db2.gz GDBMHCQDZYJNQE-AWEZNQCLSA-N 1 2 244.294 1.598 20 0 BDADLO COc1nc(C)cc(C)c1C[NH2+]Cc1cocn1 ZINC000683201674 488129404 /nfs/dbraw/zinc/12/94/04/488129404.db2.gz XKVQANXMJLIMGQ-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CNC(=O)C[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000668789969 487541293 /nfs/dbraw/zinc/54/12/93/487541293.db2.gz DHNYULNEYYFECY-UHFFFAOYSA-N 1 2 246.310 1.140 20 0 BDADLO CNC(=O)C[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000668789969 487541297 /nfs/dbraw/zinc/54/12/97/487541297.db2.gz DHNYULNEYYFECY-UHFFFAOYSA-N 1 2 246.310 1.140 20 0 BDADLO CCOC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000685561700 487543183 /nfs/dbraw/zinc/54/31/83/487543183.db2.gz BPIZGQVPOCDYNB-SECBINFHSA-N 1 2 239.319 1.940 20 0 BDADLO CCn1ccc(NCc2c[nH+]cn2C)n1 ZINC000300908607 487549123 /nfs/dbraw/zinc/54/91/23/487549123.db2.gz RLCYKXYIXDTLEL-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@@H]1CCCOC1)C2 ZINC000674300888 487553245 /nfs/dbraw/zinc/55/32/45/487553245.db2.gz IFMDTXVPMZETSR-GFCCVEGCSA-N 1 2 235.331 1.495 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398319868 487555738 /nfs/dbraw/zinc/55/57/38/487555738.db2.gz YSROVRMVVCKUMP-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398319868 487555750 /nfs/dbraw/zinc/55/57/50/487555750.db2.gz YSROVRMVVCKUMP-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1cscn1 ZINC000680071774 487531894 /nfs/dbraw/zinc/53/18/94/487531894.db2.gz BFQOZSGXBCKUNR-VIFPVBQESA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1cscn1 ZINC000680071774 487531900 /nfs/dbraw/zinc/53/19/00/487531900.db2.gz BFQOZSGXBCKUNR-VIFPVBQESA-N 1 2 230.358 1.053 20 0 BDADLO CC(C)C1(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000293944990 488136586 /nfs/dbraw/zinc/13/65/86/488136586.db2.gz OFCHRVZHOSMRQI-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)Cc2cnn(C)c2C)o1 ZINC000685580115 487556898 /nfs/dbraw/zinc/55/68/98/487556898.db2.gz RZPTZMJPKKIROD-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)Cc2cnn(C)c2C)o1 ZINC000685580115 487556905 /nfs/dbraw/zinc/55/69/05/487556905.db2.gz RZPTZMJPKKIROD-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO COCc1noc([C@@H](C)[N@H+]2CC=CCC2)n1 ZINC000680077555 487533035 /nfs/dbraw/zinc/53/30/35/487533035.db2.gz IWQKBMVSMFQPPL-SECBINFHSA-N 1 2 223.276 1.539 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+]2CC=CCC2)n1 ZINC000680077555 487533039 /nfs/dbraw/zinc/53/30/39/487533039.db2.gz IWQKBMVSMFQPPL-SECBINFHSA-N 1 2 223.276 1.539 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccsc1 ZINC000061361773 487471794 /nfs/dbraw/zinc/47/17/94/487471794.db2.gz WRBPHZFFPCSDJG-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO O=C(NCCC1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669280334 487475301 /nfs/dbraw/zinc/47/53/01/487475301.db2.gz BZORCHYECONNFC-JTQLQIEISA-N 1 2 233.315 1.431 20 0 BDADLO O=C(NCCC1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669280334 487475304 /nfs/dbraw/zinc/47/53/04/487475304.db2.gz BZORCHYECONNFC-JTQLQIEISA-N 1 2 233.315 1.431 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1C[C@H]1C)CC2 ZINC000679892501 487481709 /nfs/dbraw/zinc/48/17/09/487481709.db2.gz ZDRRQRSHKUFAKQ-KOLCDFICSA-N 1 2 248.330 1.373 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC1CC=CC1)CC2 ZINC000679896564 487482976 /nfs/dbraw/zinc/48/29/76/487482976.db2.gz BOIRMDYHPBHXJA-UHFFFAOYSA-N 1 2 246.314 1.435 20 0 BDADLO Cn1ccc(CNc2cc3cc[nH]c3c[nH+]2)n1 ZINC000672244221 487496913 /nfs/dbraw/zinc/49/69/13/487496913.db2.gz CLBXNZMRMUEFFS-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013104 487500190 /nfs/dbraw/zinc/50/01/90/487500190.db2.gz KMKMUYLQEBOCQD-NEPJUHHUSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013104 487500201 /nfs/dbraw/zinc/50/02/01/487500201.db2.gz KMKMUYLQEBOCQD-NEPJUHHUSA-N 1 2 236.290 1.836 20 0 BDADLO CCN1CC[N@H+](Cc2ncccc2O)[C@@H](C)C1 ZINC000685440088 487516520 /nfs/dbraw/zinc/51/65/20/487516520.db2.gz RWLGXBGWYPLPKE-NSHDSACASA-N 1 2 235.331 1.313 20 0 BDADLO CCN1CC[N@@H+](Cc2ncccc2O)[C@@H](C)C1 ZINC000685440088 487516523 /nfs/dbraw/zinc/51/65/23/487516523.db2.gz RWLGXBGWYPLPKE-NSHDSACASA-N 1 2 235.331 1.313 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000134543844 487516641 /nfs/dbraw/zinc/51/66/41/487516641.db2.gz ZNKVNDAMEHCCFA-PSASIEDQSA-N 1 2 209.293 1.548 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccncc1 ZINC000674122974 487522255 /nfs/dbraw/zinc/52/22/55/487522255.db2.gz NRUNZUHMZHDJRI-NSHDSACASA-N 1 2 244.298 1.198 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC(C(F)(F)F)C1 ZINC000669327927 487523676 /nfs/dbraw/zinc/52/36/76/487523676.db2.gz SCXFNVXXDPESSG-UHFFFAOYSA-N 1 2 247.220 1.363 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC(C(F)(F)F)C1 ZINC000669327927 487523680 /nfs/dbraw/zinc/52/36/80/487523680.db2.gz SCXFNVXXDPESSG-UHFFFAOYSA-N 1 2 247.220 1.363 20 0 BDADLO C[C@@H](NC(=O)C1(CF)CCC1)c1[nH]cc[nH+]1 ZINC000518398326 488144366 /nfs/dbraw/zinc/14/43/66/488144366.db2.gz ZNWIJCLPRGYWNS-MRVPVSSYSA-N 1 2 225.267 1.727 20 0 BDADLO CCc1nnc(C[N@H+](C)CCOC)s1 ZINC000680044656 487526206 /nfs/dbraw/zinc/52/62/06/487526206.db2.gz AGUYBYRXTVNTJJ-UHFFFAOYSA-N 1 2 215.322 1.179 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCOC)s1 ZINC000680044656 487526214 /nfs/dbraw/zinc/52/62/14/487526214.db2.gz AGUYBYRXTVNTJJ-UHFFFAOYSA-N 1 2 215.322 1.179 20 0 BDADLO COCC[N@H+](Cc1cn[nH]c1)Cc1cccnc1 ZINC000685456804 487526647 /nfs/dbraw/zinc/52/66/47/487526647.db2.gz FJYKXLAHAWOZQV-UHFFFAOYSA-N 1 2 246.314 1.453 20 0 BDADLO COCC[N@@H+](Cc1cn[nH]c1)Cc1cccnc1 ZINC000685456804 487526649 /nfs/dbraw/zinc/52/66/49/487526649.db2.gz FJYKXLAHAWOZQV-UHFFFAOYSA-N 1 2 246.314 1.453 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000294429039 488150504 /nfs/dbraw/zinc/15/05/04/488150504.db2.gz ZRJZIUVHOWZMNT-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000294429039 488150508 /nfs/dbraw/zinc/15/05/08/488150508.db2.gz ZRJZIUVHOWZMNT-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000668788507 487534015 /nfs/dbraw/zinc/53/40/15/487534015.db2.gz OJNOBODIQGZEEV-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000668788507 487534022 /nfs/dbraw/zinc/53/40/22/487534022.db2.gz OJNOBODIQGZEEV-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000669703462 487699744 /nfs/dbraw/zinc/69/97/44/487699744.db2.gz OJCRFWNQRRIKDV-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccnc(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000669703462 487699749 /nfs/dbraw/zinc/69/97/49/487699749.db2.gz OJCRFWNQRRIKDV-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC1CC=CC1 ZINC000675369756 487721403 /nfs/dbraw/zinc/72/14/03/487721403.db2.gz LQGWNMYCYORJBL-UHFFFAOYSA-N 1 2 219.288 1.498 20 0 BDADLO CN(Cc1cn(C2CCC2)nn1)Cc1c[nH+]c[nH]1 ZINC000668422366 487727955 /nfs/dbraw/zinc/72/79/55/487727955.db2.gz ZYSDEETZEZSMAD-UHFFFAOYSA-N 1 2 246.318 1.358 20 0 BDADLO CCn1nccc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000681384398 487790041 /nfs/dbraw/zinc/79/00/41/487790041.db2.gz RPWLXCHPKQHYMU-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO CCc1nc(C[N@@H+]2CCCCC[C@@H]2CO)no1 ZINC000157072472 487900599 /nfs/dbraw/zinc/90/05/99/487900599.db2.gz SSQZZSQIJAFIGY-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCCCC[C@@H]2CO)no1 ZINC000157072472 487900602 /nfs/dbraw/zinc/90/06/02/487900602.db2.gz SSQZZSQIJAFIGY-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)(C)n1cc(C[N@H+]2CC=CCC2)nn1 ZINC000682997794 488081332 /nfs/dbraw/zinc/08/13/32/488081332.db2.gz ZCOKXWHOXFZJRB-UHFFFAOYSA-N 1 2 220.320 1.795 20 0 BDADLO CC(C)(C)n1cc(C[N@@H+]2CC=CCC2)nn1 ZINC000682997794 488081334 /nfs/dbraw/zinc/08/13/34/488081334.db2.gz ZCOKXWHOXFZJRB-UHFFFAOYSA-N 1 2 220.320 1.795 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000685843093 488123477 /nfs/dbraw/zinc/12/34/77/488123477.db2.gz LJOYRXSBJGMFLD-PSASIEDQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000685843093 488123481 /nfs/dbraw/zinc/12/34/81/488123481.db2.gz LJOYRXSBJGMFLD-PSASIEDQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000685843093 488123485 /nfs/dbraw/zinc/12/34/85/488123485.db2.gz LJOYRXSBJGMFLD-PSASIEDQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000685843093 488123487 /nfs/dbraw/zinc/12/34/87/488123487.db2.gz LJOYRXSBJGMFLD-PSASIEDQSA-N 1 2 211.284 1.898 20 0 BDADLO CCc1noc([C@H](C)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000677802643 488125623 /nfs/dbraw/zinc/12/56/23/488125623.db2.gz QLLZQXZXZQIADF-QMMMGPOBSA-N 1 2 235.291 1.548 20 0 BDADLO CC(C)C1(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000293944990 488136576 /nfs/dbraw/zinc/13/65/76/488136576.db2.gz OFCHRVZHOSMRQI-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)C(C)(C)CO ZINC000677891213 488149735 /nfs/dbraw/zinc/14/97/35/488149735.db2.gz OVJKYSUUNMLCOP-UHFFFAOYSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)C(C)(C)CO ZINC000677891213 488149737 /nfs/dbraw/zinc/14/97/37/488149737.db2.gz OVJKYSUUNMLCOP-UHFFFAOYSA-N 1 2 240.351 1.199 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cncs2)nn1 ZINC000404427026 488158291 /nfs/dbraw/zinc/15/82/91/488158291.db2.gz IRLTWDRPWTUZKF-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO CCc1cc(N[C@@H]2CCC[C@@H]2C(=O)NC)nc[nH+]1 ZINC000677956735 488165609 /nfs/dbraw/zinc/16/56/09/488165609.db2.gz BKCLZPJLQYKYTA-WDEREUQCSA-N 1 2 248.330 1.366 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000677956824 488165807 /nfs/dbraw/zinc/16/58/07/488165807.db2.gz DYGOZOFYTUEFRZ-NXEZZACHSA-N 1 2 234.303 1.112 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551054 488167709 /nfs/dbraw/zinc/16/77/09/488167709.db2.gz SIFHJHRFLBTYNY-GMTAPVOTSA-N 1 2 233.315 1.218 20 0 BDADLO CC[C@@H](NC(=O)c1n[nH]cc1C)c1[nH]cc[nH+]1 ZINC000380053647 488169791 /nfs/dbraw/zinc/16/97/91/488169791.db2.gz WDPUZKQEMGKHGP-MRVPVSSYSA-N 1 2 233.275 1.322 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000665971256 488179378 /nfs/dbraw/zinc/17/93/78/488179378.db2.gz UPRCCHZKAQYXKE-GHMZBOCLSA-N 1 2 233.315 1.535 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCc2nccnc2C1 ZINC000668736486 488186862 /nfs/dbraw/zinc/18/68/62/488186862.db2.gz ZACMQRLJRZDLDC-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCc2nccnc2C1 ZINC000668736486 488186866 /nfs/dbraw/zinc/18/68/66/488186866.db2.gz ZACMQRLJRZDLDC-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CCc1cc(N(C)CC2CCOCC2)nc[nH+]1 ZINC000678073690 488191845 /nfs/dbraw/zinc/19/18/45/488191845.db2.gz BOEAWHHEKHLZPT-UHFFFAOYSA-N 1 2 235.331 1.902 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)c(C)nn1 ZINC000678080570 488193013 /nfs/dbraw/zinc/19/30/13/488193013.db2.gz GFDNQELIHZFCFS-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1c[nH]nc1C(C)C ZINC000683555977 488193999 /nfs/dbraw/zinc/19/39/99/488193999.db2.gz QFZFERCHVPMCAC-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO Cc1cc(NC(=O)NCC2(CO)CC2)c(C)c[nH+]1 ZINC000678097909 488197599 /nfs/dbraw/zinc/19/75/99/488197599.db2.gz PYJAEROMOYRJBC-UHFFFAOYSA-N 1 2 249.314 1.014 20 0 BDADLO Cc1cn2ccc(NC(=O)NC[C@@H](C)O)cc2[nH+]1 ZINC000668150628 488210206 /nfs/dbraw/zinc/21/02/06/488210206.db2.gz BLCQMVOHZODQQI-SECBINFHSA-N 1 2 248.286 1.145 20 0 BDADLO CC1(CNc2ccc(-n3cncn3)c[nH+]2)CC1 ZINC000683752094 488216380 /nfs/dbraw/zinc/21/63/80/488216380.db2.gz YZBSLTKULJCFKJ-UHFFFAOYSA-N 1 2 229.287 1.874 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668189906 488218667 /nfs/dbraw/zinc/21/86/67/488218667.db2.gz TUWXFWLZGPYXNL-LLVKDONJSA-N 1 2 220.320 1.987 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668189906 488218670 /nfs/dbraw/zinc/21/86/70/488218670.db2.gz TUWXFWLZGPYXNL-LLVKDONJSA-N 1 2 220.320 1.987 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231651434 488219260 /nfs/dbraw/zinc/21/92/60/488219260.db2.gz OQYNMKFVZSGTCB-PSASIEDQSA-N 1 2 239.319 1.376 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2Cc2cn[nH]c2)[nH]1 ZINC000678222425 488220186 /nfs/dbraw/zinc/22/01/86/488220186.db2.gz QTPMWAYQGLPDSI-LLVKDONJSA-N 1 2 231.303 1.860 20 0 BDADLO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000678222425 488220189 /nfs/dbraw/zinc/22/01/89/488220189.db2.gz QTPMWAYQGLPDSI-LLVKDONJSA-N 1 2 231.303 1.860 20 0 BDADLO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000678222425 488220194 /nfs/dbraw/zinc/22/01/94/488220194.db2.gz QTPMWAYQGLPDSI-LLVKDONJSA-N 1 2 231.303 1.860 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000678266059 488230072 /nfs/dbraw/zinc/23/00/72/488230072.db2.gz KYRAEQUSSZJYGB-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678266059 488230074 /nfs/dbraw/zinc/23/00/74/488230074.db2.gz KYRAEQUSSZJYGB-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)[C@@H](C)CO1 ZINC000683897112 488233690 /nfs/dbraw/zinc/23/36/90/488233690.db2.gz MYZXQCBKKXRZHF-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000683897112 488233692 /nfs/dbraw/zinc/23/36/92/488233692.db2.gz MYZXQCBKKXRZHF-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000683897112 488233695 /nfs/dbraw/zinc/23/36/95/488233695.db2.gz MYZXQCBKKXRZHF-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO Cn1cccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678275966 488235382 /nfs/dbraw/zinc/23/53/82/488235382.db2.gz NJMLCKVRORRRHR-UHFFFAOYSA-N 1 2 216.288 1.307 20 0 BDADLO Cn1cccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678275966 488235386 /nfs/dbraw/zinc/23/53/86/488235386.db2.gz NJMLCKVRORRRHR-UHFFFAOYSA-N 1 2 216.288 1.307 20 0 BDADLO Cn1nncc1C[N@H+](C)CCOC(C)(C)C ZINC000678284688 488236947 /nfs/dbraw/zinc/23/69/47/488236947.db2.gz WATTVDWQFJOUSZ-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO Cn1nncc1C[N@@H+](C)CCOC(C)(C)C ZINC000678284688 488236950 /nfs/dbraw/zinc/23/69/50/488236950.db2.gz WATTVDWQFJOUSZ-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CCC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672147120 488240708 /nfs/dbraw/zinc/24/07/08/488240708.db2.gz HTUOCGXGIQXBMK-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148625 488241045 /nfs/dbraw/zinc/24/10/45/488241045.db2.gz SUUOVRVLMSOCGJ-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150230 488241647 /nfs/dbraw/zinc/24/16/47/488241647.db2.gz JCLMBAHLSZSUOV-WDEREUQCSA-N 1 2 235.331 1.606 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672151984 488241939 /nfs/dbraw/zinc/24/19/39/488241939.db2.gz CZHKQPKOAFULMT-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153686 488242807 /nfs/dbraw/zinc/24/28/07/488242807.db2.gz AUIDXFZQMPJMBY-KGYLQXTDSA-N 1 2 247.342 1.606 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154947 488242840 /nfs/dbraw/zinc/24/28/40/488242840.db2.gz VDMGTAQDVLTQEH-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO CCc1nc(NCc2cc(C)[nH]n2)cc(C)[nH+]1 ZINC000672216413 488245281 /nfs/dbraw/zinc/24/52/81/488245281.db2.gz FWNBARFIVWVKBC-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CSC[C@@H]1C ZINC000672222140 488245913 /nfs/dbraw/zinc/24/59/13/488245913.db2.gz AQKOJDFBALUTLU-XVKPBYJWSA-N 1 2 239.344 1.128 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CSC[C@@H]1C ZINC000672222140 488245915 /nfs/dbraw/zinc/24/59/15/488245915.db2.gz AQKOJDFBALUTLU-XVKPBYJWSA-N 1 2 239.344 1.128 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1c(O)cccc1F ZINC000678374502 488248088 /nfs/dbraw/zinc/24/80/88/488248088.db2.gz NTYSDFXVXJXRAS-SECBINFHSA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1c(O)cccc1F ZINC000678374502 488248091 /nfs/dbraw/zinc/24/80/91/488248091.db2.gz NTYSDFXVXJXRAS-SECBINFHSA-N 1 2 238.262 1.564 20 0 BDADLO Cc1cc(N[C@H](c2nncn2C)C(C)C)nc[nH+]1 ZINC000672322081 488251076 /nfs/dbraw/zinc/25/10/76/488251076.db2.gz WDSTUWGHNVMIDY-NSHDSACASA-N 1 2 246.318 1.723 20 0 BDADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000672543956 488259021 /nfs/dbraw/zinc/25/90/21/488259021.db2.gz DQMQCKUKPFMWMH-QWRGUYRKSA-N 1 2 238.335 1.377 20 0 BDADLO CCO[C@H]1CCC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000672543956 488259022 /nfs/dbraw/zinc/25/90/22/488259022.db2.gz DQMQCKUKPFMWMH-QWRGUYRKSA-N 1 2 238.335 1.377 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000672950648 488269872 /nfs/dbraw/zinc/26/98/72/488269872.db2.gz MXCSHALSDYSXOQ-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC000673037430 488272024 /nfs/dbraw/zinc/27/20/24/488272024.db2.gz CGKKKIYEEASENF-SECBINFHSA-N 1 2 221.304 1.267 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H](O)C2CC2)s1 ZINC000678625333 488272529 /nfs/dbraw/zinc/27/25/29/488272529.db2.gz TXOYUAFHNBASMV-VIFPVBQESA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H](O)C2CC2)s1 ZINC000678625333 488272530 /nfs/dbraw/zinc/27/25/30/488272530.db2.gz TXOYUAFHNBASMV-VIFPVBQESA-N 1 2 227.333 1.049 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1F ZINC000673057375 488272690 /nfs/dbraw/zinc/27/26/90/488272690.db2.gz QQKPQTRMYBTCFN-KOLCDFICSA-N 1 2 239.294 1.169 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000678802616 488283491 /nfs/dbraw/zinc/28/34/91/488283491.db2.gz FFEJKVFVXCILFX-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000678802616 488283495 /nfs/dbraw/zinc/28/34/95/488283495.db2.gz FFEJKVFVXCILFX-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccn(C)n2)cn1 ZINC000678887841 488293685 /nfs/dbraw/zinc/29/36/85/488293685.db2.gz JPPUMXNLRVAAPT-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccn(C)n2)cn1 ZINC000678887841 488293686 /nfs/dbraw/zinc/29/36/86/488293686.db2.gz JPPUMXNLRVAAPT-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CCCc1noc(C[N@H+]2CC=CCC2)n1 ZINC000679323221 488337247 /nfs/dbraw/zinc/33/72/47/488337247.db2.gz HESGCTYNDYWRNN-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCCc1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679323221 488337249 /nfs/dbraw/zinc/33/72/49/488337249.db2.gz HESGCTYNDYWRNN-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1csnn1 ZINC000678938692 488296827 /nfs/dbraw/zinc/29/68/27/488296827.db2.gz GVPDENDLMVMAOY-LBPRGKRZSA-N 1 2 249.339 1.670 20 0 BDADLO CCc1nc(C[NH2+]C2(CO)CCCCC2)no1 ZINC000678974500 488300401 /nfs/dbraw/zinc/30/04/01/488300401.db2.gz NAKOZWSKPBMZKV-UHFFFAOYSA-N 1 2 239.319 1.417 20 0 BDADLO Cc1ncccc1NC(=O)Cn1cc[nH+]c1 ZINC000673685943 488304017 /nfs/dbraw/zinc/30/40/17/488304017.db2.gz JNKIHFWKPNLMQQ-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(F)F ZINC000684393492 488305186 /nfs/dbraw/zinc/30/51/86/488305186.db2.gz LMRDSFQQBVEZLH-QMMMGPOBSA-N 1 2 231.246 1.433 20 0 BDADLO CC(C)([NH2+]Cc1cnc2cnccn12)C(F)F ZINC000684413878 488309606 /nfs/dbraw/zinc/30/96/06/488309606.db2.gz IUIRTUUZUVGIGQ-UHFFFAOYSA-N 1 2 240.257 1.863 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc[nH]c1=O ZINC000684420759 488310660 /nfs/dbraw/zinc/31/06/60/488310660.db2.gz CDKBPCOCMUKAPN-UHFFFAOYSA-N 1 2 246.270 1.092 20 0 BDADLO CCN(Cc1ccoc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000684426546 488311470 /nfs/dbraw/zinc/31/14/70/488311470.db2.gz NHKVDQAQHWEDDL-UHFFFAOYSA-N 1 2 247.298 1.984 20 0 BDADLO CCN(Cc1ccoc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000684426546 488311472 /nfs/dbraw/zinc/31/14/72/488311472.db2.gz NHKVDQAQHWEDDL-UHFFFAOYSA-N 1 2 247.298 1.984 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000684446079 488314110 /nfs/dbraw/zinc/31/41/10/488314110.db2.gz GYUOAQQTKQKZAW-DTWKUNHWSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000684446079 488314112 /nfs/dbraw/zinc/31/41/12/488314112.db2.gz GYUOAQQTKQKZAW-DTWKUNHWSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1F ZINC000679225509 488317176 /nfs/dbraw/zinc/31/71/76/488317176.db2.gz QVOMTIPIPCHMGY-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1F ZINC000679225509 488317178 /nfs/dbraw/zinc/31/71/78/488317178.db2.gz QVOMTIPIPCHMGY-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CCN(Cc2c[nH+]cn2C)C[C@@H]1F ZINC000679225509 488317180 /nfs/dbraw/zinc/31/71/80/488317180.db2.gz QVOMTIPIPCHMGY-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C[C@@H]1F ZINC000679220662 488319145 /nfs/dbraw/zinc/31/91/45/488319145.db2.gz IQXLRVUGOZODDW-PWSUYJOCSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C[C@@H]1F ZINC000679220662 488319147 /nfs/dbraw/zinc/31/91/47/488319147.db2.gz IQXLRVUGOZODDW-PWSUYJOCSA-N 1 2 248.305 1.909 20 0 BDADLO c1cc(N2CC([C@H]3CCOC3)C2)nc(C2CC2)[nH+]1 ZINC000684595202 488330244 /nfs/dbraw/zinc/33/02/44/488330244.db2.gz WCTAPEGCVFERKL-NSHDSACASA-N 1 2 245.326 1.827 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC=CCC1 ZINC000679327433 488339428 /nfs/dbraw/zinc/33/94/28/488339428.db2.gz MZVXISHGTFQPRM-LLVKDONJSA-N 1 2 231.299 1.234 20 0 BDADLO CCc1noc(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000679851497 488369090 /nfs/dbraw/zinc/36/90/90/488369090.db2.gz RFUXXLIWVXPHMS-MRVPVSSYSA-N 1 2 213.281 1.099 20 0 BDADLO CCc1noc(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000679851497 488369088 /nfs/dbraw/zinc/36/90/88/488369088.db2.gz RFUXXLIWVXPHMS-MRVPVSSYSA-N 1 2 213.281 1.099 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000120459919 490061783 /nfs/dbraw/zinc/06/17/83/490061783.db2.gz VYUQWYARVQKKIU-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000120459919 490061786 /nfs/dbraw/zinc/06/17/86/490061786.db2.gz VYUQWYARVQKKIU-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000563072889 490102838 /nfs/dbraw/zinc/10/28/38/490102838.db2.gz ZLYLFXWUYGUYNP-IAZYJMLFSA-N 1 2 248.330 1.501 20 0 BDADLO C[NH+]1CCC(Nc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000037267832 490111752 /nfs/dbraw/zinc/11/17/52/490111752.db2.gz MMEKTVTXMJULFH-UHFFFAOYSA-N 1 2 235.287 1.286 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C[C@H]1CCCO1)CC2 ZINC000651700410 490134039 /nfs/dbraw/zinc/13/40/39/490134039.db2.gz DJEQVFQZFXYKCY-LLVKDONJSA-N 1 2 249.314 1.103 20 0 BDADLO CCc1noc(C[NH+]2CCC(OC)CC2)n1 ZINC000073648363 490295195 /nfs/dbraw/zinc/29/51/95/490295195.db2.gz KMJWDSVEAZOPAT-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CC(C)(C)n1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000073107147 490420137 /nfs/dbraw/zinc/42/01/37/490420137.db2.gz CIIIWLRZNHWPGR-UHFFFAOYSA-N 1 2 247.302 1.473 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nnc2ccccn21 ZINC000079441922 490441591 /nfs/dbraw/zinc/44/15/91/490441591.db2.gz VMWDKIPWTUTUNX-SNVBAGLBSA-N 1 2 234.303 1.196 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nnc2ccccn21 ZINC000079441922 490441597 /nfs/dbraw/zinc/44/15/97/490441597.db2.gz VMWDKIPWTUTUNX-SNVBAGLBSA-N 1 2 234.303 1.196 20 0 BDADLO CCn1nccc1CNc1cccc[nH+]1 ZINC000125950162 490473935 /nfs/dbraw/zinc/47/39/35/490473935.db2.gz OAPUXHFPMIMTFG-UHFFFAOYSA-N 1 2 202.261 1.910 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccccn1 ZINC000074726874 490501046 /nfs/dbraw/zinc/50/10/46/490501046.db2.gz GPVVFRBUMUIQPJ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccccn1 ZINC000074726874 490501050 /nfs/dbraw/zinc/50/10/50/490501050.db2.gz GPVVFRBUMUIQPJ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635055259 490522230 /nfs/dbraw/zinc/52/22/30/490522230.db2.gz SEXPQXYGJZFAPA-MRVPVSSYSA-N 1 2 249.236 1.901 20 0 BDADLO CCc1cc(N[C@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000300839262 490571047 /nfs/dbraw/zinc/57/10/47/490571047.db2.gz JGSRYHCYZALMNQ-ONGXEEELSA-N 1 2 221.304 1.876 20 0 BDADLO O=C(CCC1CC1)NCCc1[nH]cc[nH+]1 ZINC000400930079 490571967 /nfs/dbraw/zinc/57/19/67/490571967.db2.gz YQXVYIFZJHRGCT-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CCc1[nH+]ccn1-c1nc(OC)ccc1N ZINC000227776889 491065390 /nfs/dbraw/zinc/06/53/90/491065390.db2.gz VVQPIWQIOIEEMN-UHFFFAOYSA-N 1 2 218.260 1.421 20 0 BDADLO OC1(CNc2cc[nH+]c3ccncc23)CCC1 ZINC000085685380 491052204 /nfs/dbraw/zinc/05/22/04/491052204.db2.gz FPDMOCNRRSEPAP-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000493757694 491077300 /nfs/dbraw/zinc/07/73/00/491077300.db2.gz PVVQEDRQBVYLNI-PGLGOXFNSA-N 1 2 235.287 1.060 20 0 BDADLO Cc1cccc2[nH+]cc(CNc3c[nH]cn3)n21 ZINC000514763479 491100294 /nfs/dbraw/zinc/10/02/94/491100294.db2.gz GTBZRAXWNKGRIE-UHFFFAOYSA-N 1 2 227.271 1.978 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000139079830 491105128 /nfs/dbraw/zinc/10/51/28/491105128.db2.gz SEJHLVVKOZSRSY-WPRPVWTQSA-N 1 2 233.319 1.863 20 0 BDADLO Cc1n[nH]cc1Nc1cc(C)[nH+]c(C)n1 ZINC000131998692 491110488 /nfs/dbraw/zinc/11/04/88/491110488.db2.gz SCHYIWBEEMMHEP-UHFFFAOYSA-N 1 2 203.249 1.869 20 0 BDADLO Cn1cc[nH+]c1CN1CCOCc2ccccc21 ZINC000280506691 491110915 /nfs/dbraw/zinc/11/09/15/491110915.db2.gz RCCWGHFCZBSSKQ-UHFFFAOYSA-N 1 2 243.310 1.957 20 0 BDADLO C[C@@](CO)([NH2+]Cc1ncccn1)c1ccccc1 ZINC000134325603 491163037 /nfs/dbraw/zinc/16/30/37/491163037.db2.gz XXQZNYOWQWTNNB-AWEZNQCLSA-N 1 2 243.310 1.474 20 0 BDADLO CSCC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000890873482 582583374 /nfs/dbraw/zinc/58/33/74/582583374.db2.gz MJOPXMZIOBYTSB-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000891199303 582625376 /nfs/dbraw/zinc/62/53/76/582625376.db2.gz PBRSXHJOXCOMBF-IHDKTBNVSA-N 1 2 239.706 1.383 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000891199303 582625378 /nfs/dbraw/zinc/62/53/78/582625378.db2.gz PBRSXHJOXCOMBF-IHDKTBNVSA-N 1 2 239.706 1.383 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000891199307 582625497 /nfs/dbraw/zinc/62/54/97/582625497.db2.gz PBRSXHJOXCOMBF-YKXFLQSUSA-N 1 2 239.706 1.383 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000891199307 582625498 /nfs/dbraw/zinc/62/54/98/582625498.db2.gz PBRSXHJOXCOMBF-YKXFLQSUSA-N 1 2 239.706 1.383 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000487990599 533877485 /nfs/dbraw/zinc/87/74/85/533877485.db2.gz ROPIKJLZBMDJLV-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)Cc1cn(C)nn1 ZINC000487990599 533877494 /nfs/dbraw/zinc/87/74/94/533877494.db2.gz ROPIKJLZBMDJLV-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000495442878 533933808 /nfs/dbraw/zinc/93/38/08/533933808.db2.gz MEENEVHNHMCPGP-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000495442878 533933814 /nfs/dbraw/zinc/93/38/14/533933814.db2.gz MEENEVHNHMCPGP-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccncc2C)CC1 ZINC000496193235 534003818 /nfs/dbraw/zinc/00/38/18/534003818.db2.gz AZVXEMJILKZMMV-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000495813464 534004966 /nfs/dbraw/zinc/00/49/66/534004966.db2.gz HQKCFMWBCQIOSY-UHFFFAOYSA-N 1 2 240.328 1.632 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000351477596 535646418 /nfs/dbraw/zinc/64/64/18/535646418.db2.gz NWWXACILGPJREE-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000351477596 535646421 /nfs/dbraw/zinc/64/64/21/535646421.db2.gz NWWXACILGPJREE-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO C[C@H]1CSCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808578 534063573 /nfs/dbraw/zinc/06/35/73/534063573.db2.gz DDQVMAOXJPJTJP-XADBCAIWSA-N 1 2 237.328 1.387 20 0 BDADLO COCCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000891410647 582680854 /nfs/dbraw/zinc/68/08/54/582680854.db2.gz RXGSKRMYXCFAMS-SECBINFHSA-N 1 2 210.277 1.583 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493419911 534204040 /nfs/dbraw/zinc/20/40/40/534204040.db2.gz JLLPEAHBGPVBTC-HUAUEDMRSA-N 1 2 235.287 1.107 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cc(C)no1 ZINC000335975987 536086137 /nfs/dbraw/zinc/08/61/37/536086137.db2.gz JCOFGIZIOOIGNH-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C)[C@H](C)O1 ZINC000493453191 534275746 /nfs/dbraw/zinc/27/57/46/534275746.db2.gz FIWSUDZLGYYCEM-ONMMUWTQSA-N 1 2 249.314 1.447 20 0 BDADLO C[C@@H](F)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493324365 534277169 /nfs/dbraw/zinc/27/71/69/534277169.db2.gz PZZLMIUBKVMARW-UFUPEUMYSA-N 1 2 211.240 1.287 20 0 BDADLO Cc1ccncc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493456608 534424393 /nfs/dbraw/zinc/42/43/93/534424393.db2.gz IVWAJTQWPKRUBH-IHWYPQMZSA-N 1 2 228.255 1.765 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC(=O)C2)CC1 ZINC001172793464 974944279 /nfs/dbraw/zinc/94/42/79/974944279.db2.gz YZHHSNGQFWJNMT-GHMZBOCLSA-N 1 2 239.315 1.383 20 0 BDADLO CC(=O)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000171630883 534725727 /nfs/dbraw/zinc/72/57/27/534725727.db2.gz CXHCLBZIWOTYPN-LLVKDONJSA-N 1 2 221.304 1.568 20 0 BDADLO CC(=O)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000171630883 534725731 /nfs/dbraw/zinc/72/57/31/534725731.db2.gz CXHCLBZIWOTYPN-LLVKDONJSA-N 1 2 221.304 1.568 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccncc1 ZINC000491461165 534787646 /nfs/dbraw/zinc/78/76/46/534787646.db2.gz BKYKODHLDOHUPC-NSCUHMNNSA-N 1 2 242.282 1.145 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccoc1 ZINC000492906303 534802245 /nfs/dbraw/zinc/80/22/45/534802245.db2.gz ALFRDHXEPBCALO-UPHRSURJSA-N 1 2 217.228 1.332 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000493591013 534802703 /nfs/dbraw/zinc/80/27/03/534802703.db2.gz OSEHBHCTHKISEZ-PPYPFPMUSA-N 1 2 231.299 1.728 20 0 BDADLO O=C1OCCN1C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000496666312 534808669 /nfs/dbraw/zinc/80/86/69/534808669.db2.gz GPNYMLJSMBNAER-LLVKDONJSA-N 1 2 247.298 1.360 20 0 BDADLO O=C1O[C@@H](Cn2cc[nH+]c2)CN1c1ccccc1 ZINC000172742079 534821407 /nfs/dbraw/zinc/82/14/07/534821407.db2.gz CTUGLNTYROKGQO-LBPRGKRZSA-N 1 2 243.266 1.909 20 0 BDADLO CC(C)c1nc(N(C)CC[C@@H](C)O)cc[nH+]1 ZINC000172774065 534906117 /nfs/dbraw/zinc/90/61/17/534906117.db2.gz DRQBASUMRQMGOY-SNVBAGLBSA-N 1 2 223.320 1.807 20 0 BDADLO CC(C)(NC(=O)/C=C/[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000493051474 527262155 /nfs/dbraw/zinc/26/21/55/527262155.db2.gz OUXZDXMOTGXJKZ-HMDXOVGESA-N 1 2 249.314 1.354 20 0 BDADLO CC(C)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493433256 527703817 /nfs/dbraw/zinc/70/38/17/527703817.db2.gz MGGDHENKZMVCRE-AATRIKPKSA-N 1 2 221.304 1.975 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(C)cn1 ZINC000471817624 527905595 /nfs/dbraw/zinc/90/55/95/527905595.db2.gz VMWNOYJBFIOQDX-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CC1(CO)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492904479 527992027 /nfs/dbraw/zinc/99/20/27/527992027.db2.gz WWYKPZHHHMNHIR-IHWYPQMZSA-N 1 2 249.314 1.044 20 0 BDADLO CCO/C=C/C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000493579503 528492553 /nfs/dbraw/zinc/49/25/53/528492553.db2.gz BOVGIZVQLBAEGW-JDWDQXLLSA-N 1 2 235.287 1.555 20 0 BDADLO CCCCOCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493688154 528591951 /nfs/dbraw/zinc/59/19/51/528591951.db2.gz HWVQNKPFIFOYRL-SNAWJCMRSA-N 1 2 237.303 1.356 20 0 BDADLO CC/C=C/CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493423378 528775061 /nfs/dbraw/zinc/77/50/61/528775061.db2.gz AXXQRRBVHCRTGU-ICWBMWKASA-N 1 2 205.261 1.505 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493352792 528795269 /nfs/dbraw/zinc/79/52/69/528795269.db2.gz NETDAZHNVYLJOS-CBZSPVTBSA-N 1 2 219.288 1.584 20 0 BDADLO CCN1CC[N@H+](CCOC(C)(C)C)[C@@H](C)C1=O ZINC000495211622 529146174 /nfs/dbraw/zinc/14/61/74/529146174.db2.gz NTKSKEMBPYYRLD-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCN1CC[N@@H+](CCOC(C)(C)C)[C@@H](C)C1=O ZINC000495211622 529146175 /nfs/dbraw/zinc/14/61/75/529146175.db2.gz NTKSKEMBPYYRLD-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336166381 534929124 /nfs/dbraw/zinc/92/91/24/534929124.db2.gz BKJVNALXTPURSX-NXEZZACHSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000037076034 535171017 /nfs/dbraw/zinc/17/10/17/535171017.db2.gz PDYHJSMIUQZQTR-UHFFFAOYSA-N 1 2 235.331 1.986 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335546976 535366579 /nfs/dbraw/zinc/36/65/79/535366579.db2.gz AMNNTQPEDYDGDL-WDEREUQCSA-N 1 2 247.342 1.608 20 0 BDADLO CC[N@@H+](Cc1csc(COC)n1)C[C@@H](C)O ZINC000352210481 535388719 /nfs/dbraw/zinc/38/87/19/535388719.db2.gz GJARLYMFNGMITC-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO CC[N@H+](Cc1csc(COC)n1)C[C@@H](C)O ZINC000352210481 535388723 /nfs/dbraw/zinc/38/87/23/535388723.db2.gz GJARLYMFNGMITC-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@@]12CCC[C@H](C1CC1)C2 ZINC000335642337 535442240 /nfs/dbraw/zinc/44/22/40/535442240.db2.gz HSLYUDACHZSDLA-AAEUAGOBSA-N 1 2 222.332 1.735 20 0 BDADLO CC[N@H+]1CC(=O)N[C@@]12CCC[C@H](C1CC1)C2 ZINC000335642337 535442243 /nfs/dbraw/zinc/44/22/43/535442243.db2.gz HSLYUDACHZSDLA-AAEUAGOBSA-N 1 2 222.332 1.735 20 0 BDADLO CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000335924298 535791979 /nfs/dbraw/zinc/79/19/79/535791979.db2.gz RWKDHUQABMISTH-LLVKDONJSA-N 1 2 235.287 1.264 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000182896480 535928181 /nfs/dbraw/zinc/92/81/81/535928181.db2.gz IDKFTWLYWLGUGZ-RYUDHWBXSA-N 1 2 242.363 1.117 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCO[C@@H]1C ZINC000335901288 536086204 /nfs/dbraw/zinc/08/62/04/536086204.db2.gz QJWKRBZSGYZNAB-KOLCDFICSA-N 1 2 234.299 1.429 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)no1 ZINC000407949792 536137275 /nfs/dbraw/zinc/13/72/75/536137275.db2.gz OMKIYTOSEYYSLV-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)no1 ZINC000407949792 536137281 /nfs/dbraw/zinc/13/72/81/536137281.db2.gz OMKIYTOSEYYSLV-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547386 536143076 /nfs/dbraw/zinc/14/30/76/536143076.db2.gz GHSIOBOEPHZSMN-WDEREUQCSA-N 1 2 235.331 1.702 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249307772 536163485 /nfs/dbraw/zinc/16/34/85/536163485.db2.gz HDPSSCBMFMAHFN-DCAQKATOSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249307772 536163491 /nfs/dbraw/zinc/16/34/91/536163491.db2.gz HDPSSCBMFMAHFN-DCAQKATOSA-N 1 2 228.336 1.010 20 0 BDADLO CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178077992 536313674 /nfs/dbraw/zinc/31/36/74/536313674.db2.gz RBQBXBNIFJUHRR-JTQLQIEISA-N 1 2 236.319 1.014 20 0 BDADLO C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000084215962 536344377 /nfs/dbraw/zinc/34/43/77/536344377.db2.gz IAONFDYUWWRLCP-WCQYABFASA-N 1 2 225.380 1.188 20 0 BDADLO CN1CCC2(CCN(c3cccc[nH+]3)CC2)C1=O ZINC000373107699 536349552 /nfs/dbraw/zinc/34/95/52/536349552.db2.gz WAGCZBNYLJGRIW-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO COC(=O)[C@@]1([NH2+]CC2CCCCC2)CCOC1 ZINC000348121173 536578855 /nfs/dbraw/zinc/57/88/55/536578855.db2.gz BNEFTNASLPMZOW-CYBMUJFWSA-N 1 2 241.331 1.488 20 0 BDADLO COC1(C)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000336110983 536591852 /nfs/dbraw/zinc/59/18/52/536591852.db2.gz VAWCKBPMRJJIDV-UHFFFAOYSA-N 1 2 231.299 1.798 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](O)CCC(C)C)C1CC1 ZINC000348186047 536738419 /nfs/dbraw/zinc/73/84/19/536738419.db2.gz DJMODWVSDYKEHT-NWDGAFQWSA-N 1 2 243.347 1.325 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@H](C)[C@H]2C)no1 ZINC000351517260 536835574 /nfs/dbraw/zinc/83/55/74/536835574.db2.gz JIGINQPQMLUHOG-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@H](C)[C@H]2C)no1 ZINC000351517260 536835581 /nfs/dbraw/zinc/83/55/81/536835581.db2.gz JIGINQPQMLUHOG-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc(C)o2)cn1 ZINC000234939582 537932802 /nfs/dbraw/zinc/93/28/02/537932802.db2.gz LTYZFGUNJZIFGW-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ncc[nH]1 ZINC000334469125 566397226 /nfs/dbraw/zinc/39/72/26/566397226.db2.gz YXJRYVDNCBOKCU-PSASIEDQSA-N 1 2 231.303 1.341 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000893126132 583053102 /nfs/dbraw/zinc/05/31/02/583053102.db2.gz ICCQKECDZJBPME-LPEHRKFASA-N 1 2 224.304 1.706 20 0 BDADLO COc1ccc(C)[nH+]c1N[C@H](C)COC(C)=O ZINC000893133572 583055177 /nfs/dbraw/zinc/05/51/77/583055177.db2.gz BXFNWLSKAQXOSZ-SECBINFHSA-N 1 2 238.287 1.762 20 0 BDADLO CCOC(C)(C)CNc1cc(N(C)C)nc[nH+]1 ZINC000893370355 583129596 /nfs/dbraw/zinc/12/95/96/583129596.db2.gz LYXFSBAMERKBEH-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CCOC(C)(C)CNc1cc(N(C)C)[nH+]cn1 ZINC000893370355 583129601 /nfs/dbraw/zinc/12/96/01/583129601.db2.gz LYXFSBAMERKBEH-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2cc(C)on2)cn1 ZINC000235838732 583200859 /nfs/dbraw/zinc/20/08/59/583200859.db2.gz QSHAIZYAIRQZIS-UHFFFAOYSA-N 1 2 218.260 1.570 20 0 BDADLO Cc1coc(C[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000893912181 583246363 /nfs/dbraw/zinc/24/63/63/583246363.db2.gz STNLESXJUUKGLH-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO Cc1coc(C[N@H+](C)CC(=O)NC(C)C)c1 ZINC000893912181 583246365 /nfs/dbraw/zinc/24/63/65/583246365.db2.gz STNLESXJUUKGLH-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](CCO)C2)c1C ZINC000894004636 583272856 /nfs/dbraw/zinc/27/28/56/583272856.db2.gz VZOUUYKLNHJWLS-LBPRGKRZSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](CCO)C2)c1C ZINC000894004636 583272860 /nfs/dbraw/zinc/27/28/60/583272860.db2.gz VZOUUYKLNHJWLS-LBPRGKRZSA-N 1 2 237.347 1.621 20 0 BDADLO CC[C@H](C)NC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853044362 588717580 /nfs/dbraw/zinc/71/75/80/588717580.db2.gz IDHBGCJFTRNNQM-IUCAKERBSA-N 1 2 240.376 1.744 20 0 BDADLO Fc1cc(NCCCNc2cccc[nH+]2)ncn1 ZINC000853174393 588723623 /nfs/dbraw/zinc/72/36/23/588723623.db2.gz FMTZWJCTRUJMIM-UHFFFAOYSA-N 1 2 247.277 1.925 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1cc(F)ncn1 ZINC000853449505 588743824 /nfs/dbraw/zinc/74/38/24/588743824.db2.gz IDUFKARNAKWZGW-UHFFFAOYSA-N 1 2 235.266 1.339 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=O)o1 ZINC000853489537 588745405 /nfs/dbraw/zinc/74/54/05/588745405.db2.gz RKNNHWORMSRSHT-QMMMGPOBSA-N 1 2 213.281 1.079 20 0 BDADLO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)c(=O)o1 ZINC000853489537 588745406 /nfs/dbraw/zinc/74/54/06/588745406.db2.gz RKNNHWORMSRSHT-QMMMGPOBSA-N 1 2 213.281 1.079 20 0 BDADLO Cc1nn(C[NH+]2CCCCCCC2)c(=O)o1 ZINC000853487926 588745560 /nfs/dbraw/zinc/74/55/60/588745560.db2.gz MSNXZHQBOSECDO-UHFFFAOYSA-N 1 2 225.292 1.368 20 0 BDADLO CC(C)OCC(N)=[NH+]O[C@H](C)C(C)C ZINC000853658603 588752990 /nfs/dbraw/zinc/75/29/90/588752990.db2.gz NNCZCPJZEQKVCQ-SECBINFHSA-N 1 2 202.298 1.954 20 0 BDADLO CC(C)OCC(N)=[NH+]OCc1cccnc1N ZINC000853657512 588753012 /nfs/dbraw/zinc/75/30/12/588753012.db2.gz CKNZADLUWJVJBZ-UHFFFAOYSA-N 1 2 238.291 1.087 20 0 BDADLO CCc1cc(NC[C@H]2CC(C)=NO2)nc[nH+]1 ZINC000853661502 588753489 /nfs/dbraw/zinc/75/34/89/588753489.db2.gz WMTAXNJWGKVIIG-SNVBAGLBSA-N 1 2 220.276 1.616 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@H]1COC(C)(C)C1 ZINC000853674123 588754782 /nfs/dbraw/zinc/75/47/82/588754782.db2.gz SCGFREAAERWIFV-HTQZYQBOSA-N 1 2 216.281 1.087 20 0 BDADLO COC(OC)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000853681519 588755704 /nfs/dbraw/zinc/75/57/04/588755704.db2.gz RVGVYPYTGRCVNL-QMMMGPOBSA-N 1 2 237.303 1.773 20 0 BDADLO CC1(C)C[N@H+](CC2OCCO2)[C@@H]1c1cccnc1 ZINC000854041539 588772478 /nfs/dbraw/zinc/77/24/78/588772478.db2.gz NYBQCAMLWBSHMV-CYBMUJFWSA-N 1 2 248.326 1.837 20 0 BDADLO CC1(C)C[N@@H+](CC2OCCO2)[C@@H]1c1cccnc1 ZINC000854041539 588772479 /nfs/dbraw/zinc/77/24/79/588772479.db2.gz NYBQCAMLWBSHMV-CYBMUJFWSA-N 1 2 248.326 1.837 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC2CC1(C)C2 ZINC000854067063 588773004 /nfs/dbraw/zinc/77/30/04/588773004.db2.gz OMHBSSXDALWNTK-UHFFFAOYSA-N 1 2 234.303 1.114 20 0 BDADLO CN(Cc1ccsc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000854272728 588782626 /nfs/dbraw/zinc/78/26/26/588782626.db2.gz UCRVWPHLZROPJK-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO C[C@@H](CC(=O)NC1=[NH+]CCS1)[C@H]1CCCO1 ZINC000854293070 588782926 /nfs/dbraw/zinc/78/29/26/588782926.db2.gz LTEOQIQMNYVGEG-DTWKUNHWSA-N 1 2 242.344 1.411 20 0 BDADLO CCC[C@@H](O)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594277 588796163 /nfs/dbraw/zinc/79/61/63/588796163.db2.gz ICWXPXXBSHOXLD-RKDXNWHRSA-N 1 2 225.292 1.138 20 0 BDADLO CS/C=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594466 588796278 /nfs/dbraw/zinc/79/62/78/588796278.db2.gz LWGPQIJTLCICDJ-XUTFHDRNSA-N 1 2 211.290 1.464 20 0 BDADLO CSC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594466 588796279 /nfs/dbraw/zinc/79/62/79/588796279.db2.gz LWGPQIJTLCICDJ-XUTFHDRNSA-N 1 2 211.290 1.464 20 0 BDADLO C[C@@H](NC(=O)[C@](C)(O)C1CCC1)c1[nH]cc[nH+]1 ZINC000854594301 588796373 /nfs/dbraw/zinc/79/63/73/588796373.db2.gz IMYYSLODTJLUHH-PRHODGIISA-N 1 2 237.303 1.138 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854681064 588800022 /nfs/dbraw/zinc/80/00/22/588800022.db2.gz WLGDLGWKPNFJNX-LLVKDONJSA-N 1 2 225.267 1.303 20 0 BDADLO CC[C@H](C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854740982 588804775 /nfs/dbraw/zinc/80/47/75/588804775.db2.gz FMQJUAHDLWPGQU-VHSXEESVSA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000854912955 588816547 /nfs/dbraw/zinc/81/65/47/588816547.db2.gz KVUZKKSGGWBEGJ-UWVGGRQHSA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CC1(C)C ZINC000854955330 588818855 /nfs/dbraw/zinc/81/88/55/588818855.db2.gz RNOXABFAQYJWJQ-ZJUUUORDSA-N 1 2 235.331 1.893 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC=CO1 ZINC000855135408 588823075 /nfs/dbraw/zinc/82/30/75/588823075.db2.gz JAUCWPCFPRYMKM-JTQLQIEISA-N 1 2 221.260 1.061 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC=CO1 ZINC000855135408 588823076 /nfs/dbraw/zinc/82/30/76/588823076.db2.gz JAUCWPCFPRYMKM-JTQLQIEISA-N 1 2 221.260 1.061 20 0 BDADLO Cc1cc[nH]c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855136432 588823219 /nfs/dbraw/zinc/82/32/19/588823219.db2.gz QKLDPVIOHDALFA-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO Cc1cc[nH]c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855136432 588823220 /nfs/dbraw/zinc/82/32/20/588823220.db2.gz QKLDPVIOHDALFA-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(F)=C1CCC1 ZINC000855135883 588823288 /nfs/dbraw/zinc/82/32/88/588823288.db2.gz XEGXKBRSORSWJM-UHFFFAOYSA-N 1 2 223.251 1.776 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(F)=C1CCC1 ZINC000855135883 588823289 /nfs/dbraw/zinc/82/32/89/588823289.db2.gz XEGXKBRSORSWJM-UHFFFAOYSA-N 1 2 223.251 1.776 20 0 BDADLO CC(C)[C@@H](F)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855137058 588823323 /nfs/dbraw/zinc/82/33/23/588823323.db2.gz WEIRXEHLTSDMRM-SECBINFHSA-N 1 2 213.256 1.362 20 0 BDADLO CC(C)[C@@H](F)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855137058 588823324 /nfs/dbraw/zinc/82/33/24/588823324.db2.gz WEIRXEHLTSDMRM-SECBINFHSA-N 1 2 213.256 1.362 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H](C)OC(C)(C)C2)C1 ZINC000113242344 588828185 /nfs/dbraw/zinc/82/81/85/588828185.db2.gz YNTVIZVTEQJVPO-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H](C)OC(C)(C)C2)C1 ZINC000113242344 588828186 /nfs/dbraw/zinc/82/81/86/588828186.db2.gz YNTVIZVTEQJVPO-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000859219549 582487052 /nfs/dbraw/zinc/48/70/52/582487052.db2.gz AZPVWBQXEDVZNX-QWRGUYRKSA-N 1 2 244.335 1.232 20 0 BDADLO CCCOC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000859219549 582487054 /nfs/dbraw/zinc/48/70/54/582487054.db2.gz AZPVWBQXEDVZNX-QWRGUYRKSA-N 1 2 244.335 1.232 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806166744 582506715 /nfs/dbraw/zinc/50/67/15/582506715.db2.gz AXASOWRZMFBGAY-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000890766951 582543103 /nfs/dbraw/zinc/54/31/03/582543103.db2.gz QYTKWPIHWMRJSN-NXEZZACHSA-N 1 2 219.288 1.423 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000855432731 588835542 /nfs/dbraw/zinc/83/55/42/588835542.db2.gz NJPZDDLPQOLUNA-MNOVXSKESA-N 1 2 231.299 1.280 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC000855433453 588835652 /nfs/dbraw/zinc/83/56/52/588835652.db2.gz GANSNURPVOLONW-GHMZBOCLSA-N 1 2 219.288 1.669 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000855432804 588835730 /nfs/dbraw/zinc/83/57/30/588835730.db2.gz BLERNBNILXHASB-UWVGGRQHSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000855432804 588835731 /nfs/dbraw/zinc/83/57/31/588835731.db2.gz BLERNBNILXHASB-UWVGGRQHSA-N 1 2 231.299 1.349 20 0 BDADLO CSCC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000890854796 582581289 /nfs/dbraw/zinc/58/12/89/582581289.db2.gz MKAHZDJCGTXTQO-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000844466961 582593752 /nfs/dbraw/zinc/59/37/52/582593752.db2.gz AKYWBENEAJVXIS-SECBINFHSA-N 1 2 228.246 1.046 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000844466961 582593755 /nfs/dbraw/zinc/59/37/55/582593755.db2.gz AKYWBENEAJVXIS-SECBINFHSA-N 1 2 228.246 1.046 20 0 BDADLO C[C@@H](CC(=O)OCC1(F)CC1)n1cc[nH+]c1 ZINC000845545726 582613554 /nfs/dbraw/zinc/61/35/54/582613554.db2.gz JOQHFELSUULLDE-VIFPVBQESA-N 1 2 226.251 1.880 20 0 BDADLO COCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000891410648 582680572 /nfs/dbraw/zinc/68/05/72/582680572.db2.gz RXGSKRMYXCFAMS-VIFPVBQESA-N 1 2 210.277 1.583 20 0 BDADLO CCc1cc(NCCCO)nc(CC)[nH+]1 ZINC000891411102 582680892 /nfs/dbraw/zinc/68/08/92/582680892.db2.gz YYHLFTLRRHZHKD-UHFFFAOYSA-N 1 2 209.293 1.396 20 0 BDADLO O=C(NC/C=C/Cl)NCCCn1cc[nH+]c1 ZINC000891429206 582683078 /nfs/dbraw/zinc/68/30/78/582683078.db2.gz LXVCRWRABUHZMB-HNQUOIGGSA-N 1 2 242.710 1.325 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1COC2(CCC2)C1 ZINC000855659860 588844024 /nfs/dbraw/zinc/84/40/24/588844024.db2.gz ZDJZFLDKIKRVLE-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO OC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891490232 582693093 /nfs/dbraw/zinc/69/30/93/582693093.db2.gz BNEDKMRFDLIKGL-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000891508515 582693701 /nfs/dbraw/zinc/69/37/01/582693701.db2.gz FNJAGWOUFVZINO-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)Cc1cnn(C)c1 ZINC000891508515 582693704 /nfs/dbraw/zinc/69/37/04/582693704.db2.gz FNJAGWOUFVZINO-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000891543044 582695508 /nfs/dbraw/zinc/69/55/08/582695508.db2.gz MKWHCJDLKMIIRG-VIFPVBQESA-N 1 2 211.261 1.509 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000891543044 582695509 /nfs/dbraw/zinc/69/55/09/582695509.db2.gz MKWHCJDLKMIIRG-VIFPVBQESA-N 1 2 211.261 1.509 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000891715812 582713645 /nfs/dbraw/zinc/71/36/45/582713645.db2.gz HBGQSMLFRFDBPD-CYBMUJFWSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000891715812 582713647 /nfs/dbraw/zinc/71/36/47/582713647.db2.gz HBGQSMLFRFDBPD-CYBMUJFWSA-N 1 2 249.358 1.908 20 0 BDADLO C[C@@H](O)c1cccc(NCc2ccnn2C)[nH+]1 ZINC000891740256 582715939 /nfs/dbraw/zinc/71/59/39/582715939.db2.gz SRFMLLRBYOOBFF-SECBINFHSA-N 1 2 232.287 1.481 20 0 BDADLO CNc1cc(N(C)Cc2cc(C)on2)nc[nH+]1 ZINC000891753718 582716934 /nfs/dbraw/zinc/71/69/34/582716934.db2.gz FLDQOMODTOKRKF-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO CNc1cc(N(C)Cc2cc(C)on2)[nH+]cn1 ZINC000891753718 582716937 /nfs/dbraw/zinc/71/69/37/582716937.db2.gz FLDQOMODTOKRKF-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CCOCC1(C)C)CCC2 ZINC000891782274 582719984 /nfs/dbraw/zinc/71/99/84/582719984.db2.gz RFWNRPGDFSTVQV-UHFFFAOYSA-N 1 2 249.358 1.520 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CCOCC1(C)C)CCC2 ZINC000891782274 582719988 /nfs/dbraw/zinc/71/99/88/582719988.db2.gz RFWNRPGDFSTVQV-UHFFFAOYSA-N 1 2 249.358 1.520 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc2c1OCC2 ZINC000891924965 582739343 /nfs/dbraw/zinc/73/93/43/582739343.db2.gz ZHSHCBJCKMQCTB-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc2c1OCC2 ZINC000891924965 582739345 /nfs/dbraw/zinc/73/93/45/582739345.db2.gz ZHSHCBJCKMQCTB-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO C[C@H](O)c1cccc(NCCn2cccn2)[nH+]1 ZINC000891952995 582744990 /nfs/dbraw/zinc/74/49/90/582744990.db2.gz UHZMBZLIHOXCBX-JTQLQIEISA-N 1 2 232.287 1.444 20 0 BDADLO CCc1cc(NCc2nc[nH]n2)nc(CC)[nH+]1 ZINC000891987452 582754504 /nfs/dbraw/zinc/75/45/04/582754504.db2.gz YHUFJFZRYUHREW-UHFFFAOYSA-N 1 2 232.291 1.332 20 0 BDADLO CCc1cc(NCc2nnc[nH]2)nc(CC)[nH+]1 ZINC000891987452 582754506 /nfs/dbraw/zinc/75/45/06/582754506.db2.gz YHUFJFZRYUHREW-UHFFFAOYSA-N 1 2 232.291 1.332 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](CCF)C1 ZINC000855828544 588849624 /nfs/dbraw/zinc/84/96/24/588849624.db2.gz NKTOZTZVALZRDR-JTQLQIEISA-N 1 2 239.294 1.550 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn(C)c2C2CC2)[C@@H]1C ZINC000892049923 582773965 /nfs/dbraw/zinc/77/39/65/582773965.db2.gz ULFQZZIQMWKRHZ-GHMZBOCLSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn(C)c2C2CC2)[C@@H]1C ZINC000892049923 582773968 /nfs/dbraw/zinc/77/39/68/582773968.db2.gz ULFQZZIQMWKRHZ-GHMZBOCLSA-N 1 2 249.358 1.907 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cnc1F ZINC000892055428 582777772 /nfs/dbraw/zinc/77/77/72/582777772.db2.gz SRZBDSMVJYKBIN-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cnc1F ZINC000892055428 582777774 /nfs/dbraw/zinc/77/77/74/582777774.db2.gz SRZBDSMVJYKBIN-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)Cn2cncn2)[nH+]1 ZINC000892126594 582796878 /nfs/dbraw/zinc/79/68/78/582796878.db2.gz FDTLWTQVGPPFDW-NXEZZACHSA-N 1 2 247.302 1.227 20 0 BDADLO CC(C)C[C@@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892132090 582797532 /nfs/dbraw/zinc/79/75/32/582797532.db2.gz YBCQBNWNNOELRY-GHMZBOCLSA-N 1 2 238.331 1.954 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856287173 588867476 /nfs/dbraw/zinc/86/74/76/588867476.db2.gz OVURNVUBHIJBHN-JTQLQIEISA-N 1 2 247.298 1.600 20 0 BDADLO CCOCCN(CC)c1nccn2c[nH+]cc12 ZINC000892408980 582880990 /nfs/dbraw/zinc/88/09/90/582880990.db2.gz REUJQUOPWNWWSH-UHFFFAOYSA-N 1 2 234.303 1.592 20 0 BDADLO C[C@@H](CC(=O)N(C)c1ccon1)n1cc[nH+]c1 ZINC000892458988 582892051 /nfs/dbraw/zinc/89/20/51/582892051.db2.gz PHGNBEGFKFBOKP-VIFPVBQESA-N 1 2 234.259 1.485 20 0 BDADLO COc1ccc(CN[C@H]2CCC[N@H+](C)C2)o1 ZINC000892665970 582945252 /nfs/dbraw/zinc/94/52/52/582945252.db2.gz WUHDQWXNIHVNAV-JTQLQIEISA-N 1 2 224.304 1.472 20 0 BDADLO COc1ccc(CN[C@H]2CCC[N@@H+](C)C2)o1 ZINC000892665970 582945253 /nfs/dbraw/zinc/94/52/53/582945253.db2.gz WUHDQWXNIHVNAV-JTQLQIEISA-N 1 2 224.304 1.472 20 0 BDADLO C[C@@H](NC(=O)c1ccc(C=O)[nH]1)c1[nH+]ccn1C ZINC000856276956 588866485 /nfs/dbraw/zinc/86/64/85/588866485.db2.gz FAIVMGIRQYZLMS-MRVPVSSYSA-N 1 2 246.270 1.052 20 0 BDADLO CS/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277596 588866506 /nfs/dbraw/zinc/86/65/06/588866506.db2.gz MOSNFORHYSIAIE-IPWDFOCMSA-N 1 2 225.317 1.474 20 0 BDADLO C[C@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000892737528 582973072 /nfs/dbraw/zinc/97/30/72/582973072.db2.gz DTLXYWFEYASROA-VIFPVBQESA-N 1 2 202.261 1.718 20 0 BDADLO CC[C@@H](C[C@H](C)CO)Nc1cc(NC)nc[nH+]1 ZINC000892744929 582975310 /nfs/dbraw/zinc/97/53/10/582975310.db2.gz HDXUXSBKVMLHLG-UWVGGRQHSA-N 1 2 238.335 1.727 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279881 588866804 /nfs/dbraw/zinc/86/68/04/588866804.db2.gz HESVYZLVZQPOEH-RKDXNWHRSA-N 1 2 227.283 1.591 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856281253 588867022 /nfs/dbraw/zinc/86/70/22/588867022.db2.gz NGDPQFXCBGDFBZ-QFQXNISHSA-N 1 2 221.304 1.954 20 0 BDADLO CCc1cc(N[C@@H]2C=C[C@H](CO)C2)nc(CC)[nH+]1 ZINC000892786898 582982706 /nfs/dbraw/zinc/98/27/06/582982706.db2.gz XDBXSBZMMZPASU-CMPLNLGQSA-N 1 2 247.342 1.950 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc[nH+]1 ZINC000892920644 583009685 /nfs/dbraw/zinc/00/96/85/583009685.db2.gz PHYMWPZORDNSTH-HBNTYKKESA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)[nH+]cn1 ZINC000892920644 583009687 /nfs/dbraw/zinc/00/96/87/583009687.db2.gz PHYMWPZORDNSTH-HBNTYKKESA-N 1 2 248.330 1.888 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)nc1 ZINC000892976173 583024134 /nfs/dbraw/zinc/02/41/34/583024134.db2.gz BDLYWQXMAHDFKG-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CN(C[C@H]1CCC[C@@H]1O)c1nccn2c[nH+]cc12 ZINC000892980493 583024681 /nfs/dbraw/zinc/02/46/81/583024681.db2.gz MCKUPKSOBHOWQR-PWSUYJOCSA-N 1 2 246.314 1.327 20 0 BDADLO C[C@H](O)c1cccc(N[C@H](CO)CC2CC2)[nH+]1 ZINC000892976983 583024738 /nfs/dbraw/zinc/02/47/38/583024738.db2.gz LIKNPHILZWSTBF-ONGXEEELSA-N 1 2 236.315 1.708 20 0 BDADLO CNc1cc(NCc2cncc(C)c2)nc[nH+]1 ZINC000893020149 583030838 /nfs/dbraw/zinc/03/08/38/583030838.db2.gz FYPHKTNUCHEDDI-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CNc1cc(NCc2cncc(C)c2)[nH+]cn1 ZINC000893020149 583030840 /nfs/dbraw/zinc/03/08/40/583030840.db2.gz FYPHKTNUCHEDDI-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccon2)cnc1F ZINC000893098979 583049330 /nfs/dbraw/zinc/04/93/30/583049330.db2.gz ULMORCGLGVTXSU-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cc1cc(N[C@H]2CNC(=O)C2)nc(C2CCC2)[nH+]1 ZINC000893101798 583049571 /nfs/dbraw/zinc/04/95/71/583049571.db2.gz BTIUIMCCAPHSTD-SNVBAGLBSA-N 1 2 246.314 1.353 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)C2)ccn1 ZINC000856732511 588875550 /nfs/dbraw/zinc/87/55/50/588875550.db2.gz TWBFCMPUBZOPLC-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@H](C)C2)ccn1 ZINC000856732511 588875551 /nfs/dbraw/zinc/87/55/51/588875551.db2.gz TWBFCMPUBZOPLC-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893231532 583075038 /nfs/dbraw/zinc/07/50/38/583075038.db2.gz VJQFFJTXQVZVTI-YIZUVKHSSA-N 1 2 236.315 1.874 20 0 BDADLO CCc1cc(N2CCC[C@@H]2CCO)nc(CC)[nH+]1 ZINC000893276221 583082234 /nfs/dbraw/zinc/08/22/34/583082234.db2.gz WOUNBBJIFHOZFR-GFCCVEGCSA-N 1 2 249.358 1.953 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C=CCC1 ZINC000855435269 583105344 /nfs/dbraw/zinc/10/53/44/583105344.db2.gz ASBISCSOVUQZGJ-UWVGGRQHSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C=CCC1 ZINC000855435269 583105346 /nfs/dbraw/zinc/10/53/46/583105346.db2.gz ASBISCSOVUQZGJ-UWVGGRQHSA-N 1 2 219.288 1.423 20 0 BDADLO CSC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856278992 583118351 /nfs/dbraw/zinc/11/83/51/583118351.db2.gz AVJJAIKRRQNVLS-QMMMGPOBSA-N 1 2 241.360 1.739 20 0 BDADLO Cn1ncc(C[NH+]2CC(CC3CC3)C2)n1 ZINC000857066559 583132240 /nfs/dbraw/zinc/13/22/40/583132240.db2.gz NSKOHYCFBDBVPA-UHFFFAOYSA-N 1 2 206.293 1.047 20 0 BDADLO CNc1cc(N[C@@H](C)[C@@H](C)OC)nc[nH+]1 ZINC000893410058 583138871 /nfs/dbraw/zinc/13/88/71/583138871.db2.gz ZPXMOCJDICROKA-JGVFFNPUSA-N 1 2 210.281 1.354 20 0 BDADLO CNc1cc(N[C@@H](C)[C@@H](C)OC)[nH+]cn1 ZINC000893410058 583138872 /nfs/dbraw/zinc/13/88/72/583138872.db2.gz ZPXMOCJDICROKA-JGVFFNPUSA-N 1 2 210.281 1.354 20 0 BDADLO CCOCC[N@H+](C)Cc1ccnc(OC)c1F ZINC000893430587 583142071 /nfs/dbraw/zinc/14/20/71/583142071.db2.gz CPOUUFMROVMTIY-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO CCOCC[N@@H+](C)Cc1ccnc(OC)c1F ZINC000893430587 583142072 /nfs/dbraw/zinc/14/20/72/583142072.db2.gz CPOUUFMROVMTIY-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)C(C)C ZINC000893518927 583156156 /nfs/dbraw/zinc/15/61/56/583156156.db2.gz OLKLIFLOGFHBHB-SECBINFHSA-N 1 2 208.261 1.836 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2Cl)CCCO1 ZINC000857016246 588882312 /nfs/dbraw/zinc/88/23/12/588882312.db2.gz OXSAQSZGGRLXAC-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2Cl)CCCO1 ZINC000857016246 588882313 /nfs/dbraw/zinc/88/23/13/588882313.db2.gz OXSAQSZGGRLXAC-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C/C=C/C[C@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000893660240 583189801 /nfs/dbraw/zinc/18/98/01/583189801.db2.gz BJRMAGVLTSKDHP-FQLSZKSXSA-N 1 2 243.347 1.633 20 0 BDADLO Cc1cc(N(C)CCCO)nc(C2CCC2)[nH+]1 ZINC000893703262 583204625 /nfs/dbraw/zinc/20/46/25/583204625.db2.gz ZURSBUYSLAKNQD-UHFFFAOYSA-N 1 2 235.331 1.871 20 0 BDADLO Cc1cc(CNc2cccc([C@H](C)O)[nH+]2)n(C)n1 ZINC000893731310 583215774 /nfs/dbraw/zinc/21/57/74/583215774.db2.gz CBAVDNQABUSODM-JTQLQIEISA-N 1 2 246.314 1.789 20 0 BDADLO C[C@@H](O)c1cccc(NCCC2(O)CCC2)[nH+]1 ZINC000893745046 583217020 /nfs/dbraw/zinc/21/70/20/583217020.db2.gz SXMSKACWNIWMHP-SNVBAGLBSA-N 1 2 236.315 1.852 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893915814 583246403 /nfs/dbraw/zinc/24/64/03/583246403.db2.gz GHWNNTDBJJQFKU-BDAKNGLRSA-N 1 2 224.308 1.378 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893915814 583246405 /nfs/dbraw/zinc/24/64/05/583246405.db2.gz GHWNNTDBJJQFKU-BDAKNGLRSA-N 1 2 224.308 1.378 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)co1 ZINC000893943424 583256422 /nfs/dbraw/zinc/25/64/22/583256422.db2.gz XGCVWDDCJCRYRU-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C)co1 ZINC000893943424 583256424 /nfs/dbraw/zinc/25/64/24/583256424.db2.gz XGCVWDDCJCRYRU-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(C)co1 ZINC000893966303 583263978 /nfs/dbraw/zinc/26/39/78/583263978.db2.gz NVWHWBOJGGYYHM-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)co1 ZINC000893966303 583263979 /nfs/dbraw/zinc/26/39/79/583263979.db2.gz NVWHWBOJGGYYHM-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CN(C)c1cc(N2CC[C@H](F)C2)nc[nH+]1 ZINC000894022944 583275211 /nfs/dbraw/zinc/27/52/11/583275211.db2.gz IMRCECGYJGDTEO-QMMMGPOBSA-N 1 2 210.256 1.091 20 0 BDADLO CN(C)c1cc(N2CC[C@H](F)C2)[nH+]cn1 ZINC000894022944 583275213 /nfs/dbraw/zinc/27/52/13/583275213.db2.gz IMRCECGYJGDTEO-QMMMGPOBSA-N 1 2 210.256 1.091 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000894028829 583282144 /nfs/dbraw/zinc/28/21/44/583282144.db2.gz RUZSUSWXXFBJJW-CMPLNLGQSA-N 1 2 233.311 1.868 20 0 BDADLO CC[C@](C)(CNc1cc(N(C)C)nc[nH+]1)OC ZINC000894052778 583290099 /nfs/dbraw/zinc/29/00/99/583290099.db2.gz FZSBIUCJJYEZBL-GFCCVEGCSA-N 1 2 238.335 1.770 20 0 BDADLO CC[C@](C)(CNc1cc(N(C)C)[nH+]cn1)OC ZINC000894052778 583290102 /nfs/dbraw/zinc/29/01/02/583290102.db2.gz FZSBIUCJJYEZBL-GFCCVEGCSA-N 1 2 238.335 1.770 20 0 BDADLO CNC(=O)N1CC[NH+](Cc2cc(C)co2)CC1 ZINC000894058079 583290855 /nfs/dbraw/zinc/29/08/55/583290855.db2.gz QSOIWZWZYCPEEF-UHFFFAOYSA-N 1 2 237.303 1.045 20 0 BDADLO Cc1coc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000894096578 583300732 /nfs/dbraw/zinc/30/07/32/583300732.db2.gz WDLQADMTHTWGJU-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000894096578 583300733 /nfs/dbraw/zinc/30/07/33/583300733.db2.gz WDLQADMTHTWGJU-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO CC[C@H]1C[N@H+](Cc2n[nH]c(C)c2C)C[C@@H]1O ZINC000894095785 583300983 /nfs/dbraw/zinc/30/09/83/583300983.db2.gz RZZNFWIMNYHLIU-JQWIXIFHSA-N 1 2 223.320 1.229 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2n[nH]c(C)c2C)C[C@@H]1O ZINC000894095785 583300984 /nfs/dbraw/zinc/30/09/84/583300984.db2.gz RZZNFWIMNYHLIU-JQWIXIFHSA-N 1 2 223.320 1.229 20 0 BDADLO CCc1nc(CNc2cc(NC)[nH+]cn2)co1 ZINC000894098484 583303552 /nfs/dbraw/zinc/30/35/52/583303552.db2.gz TWFLBHUGCPMDFR-UHFFFAOYSA-N 1 2 233.275 1.681 20 0 BDADLO CCc1nc(CNc2cc(NC)nc[nH+]2)co1 ZINC000894098484 583303553 /nfs/dbraw/zinc/30/35/53/583303553.db2.gz TWFLBHUGCPMDFR-UHFFFAOYSA-N 1 2 233.275 1.681 20 0 BDADLO c1cn(C2CC2)c(CN2CCCc3n[nH]cc32)[nH+]1 ZINC000894107172 583306702 /nfs/dbraw/zinc/30/67/02/583306702.db2.gz YANKNHCBFYIQMD-UHFFFAOYSA-N 1 2 243.314 1.894 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](O)C2)nc(C2CCC2)[nH+]1 ZINC000894119265 583310852 /nfs/dbraw/zinc/31/08/52/583310852.db2.gz LVJROAFSYSSXDS-PHIMTYICSA-N 1 2 233.315 1.988 20 0 BDADLO C[S@](=O)Cc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894130797 583313029 /nfs/dbraw/zinc/31/30/29/583313029.db2.gz LCUZRIVQXTVKBB-KRWDZBQOSA-N 1 2 249.339 1.900 20 0 BDADLO C[S@](=O)Cc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000894130797 583313032 /nfs/dbraw/zinc/31/30/32/583313032.db2.gz LCUZRIVQXTVKBB-KRWDZBQOSA-N 1 2 249.339 1.900 20 0 BDADLO CNc1cc(N2CC[C@H](CCCO)C2)nc[nH+]1 ZINC000894133694 583313585 /nfs/dbraw/zinc/31/35/85/583313585.db2.gz HYVRPXHJCXTMNA-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CC[C@H](CCCO)C2)[nH+]cn1 ZINC000894133694 583313587 /nfs/dbraw/zinc/31/35/87/583313587.db2.gz HYVRPXHJCXTMNA-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO COc1nccc(C[NH+]2CC(C)C2)c1F ZINC000894159501 583321171 /nfs/dbraw/zinc/32/11/71/583321171.db2.gz VNDGUCBVOQRIPP-UHFFFAOYSA-N 1 2 210.252 1.681 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccn(C)n1 ZINC000894168684 583324323 /nfs/dbraw/zinc/32/43/23/583324323.db2.gz UNRBNHCGXHZZNZ-VIFPVBQESA-N 1 2 246.318 1.449 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccn(C)n1 ZINC000894168684 583324326 /nfs/dbraw/zinc/32/43/26/583324326.db2.gz UNRBNHCGXHZZNZ-VIFPVBQESA-N 1 2 246.318 1.449 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000894179108 583328720 /nfs/dbraw/zinc/32/87/20/583328720.db2.gz RUZSUSWXXFBJJW-PWSUYJOCSA-N 1 2 233.311 1.868 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000894178886 583328744 /nfs/dbraw/zinc/32/87/44/583328744.db2.gz QVDJZNVEEYHSBZ-MXWKQRLJSA-N 1 2 243.347 1.730 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2CCC2=O)C1 ZINC000857237964 588901125 /nfs/dbraw/zinc/90/11/25/588901125.db2.gz YIVCKSSLEPNIIH-JTQLQIEISA-N 1 2 200.257 1.000 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2CCC2=O)C1 ZINC000857237964 588901127 /nfs/dbraw/zinc/90/11/27/588901127.db2.gz YIVCKSSLEPNIIH-JTQLQIEISA-N 1 2 200.257 1.000 20 0 BDADLO CNc1cc(N2CCC[C@H](CO)[C@@H]2C)nc[nH+]1 ZINC000894222402 583382742 /nfs/dbraw/zinc/38/27/42/583382742.db2.gz PDNUTYWOVMRXNN-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CCC[C@H](CO)[C@@H]2C)[nH+]cn1 ZINC000894222402 583382747 /nfs/dbraw/zinc/38/27/47/583382747.db2.gz PDNUTYWOVMRXNN-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H]1C[C@@H](CO)CN(c2nccn3c[nH+]cc23)C1 ZINC000894245426 583389617 /nfs/dbraw/zinc/38/96/17/583389617.db2.gz LQIDCVQKKMYEJP-WDEREUQCSA-N 1 2 246.314 1.184 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(F)c1)CN1CCC1=O ZINC000857229374 588896798 /nfs/dbraw/zinc/89/67/98/588896798.db2.gz RDTIVPFPSAHCSG-UHFFFAOYSA-N 1 2 240.253 1.586 20 0 BDADLO C[N@H+](Cc1ccc(F)c(F)c1)CN1CCC1=O ZINC000857229374 588896799 /nfs/dbraw/zinc/89/67/99/588896799.db2.gz RDTIVPFPSAHCSG-UHFFFAOYSA-N 1 2 240.253 1.586 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000366603796 583415896 /nfs/dbraw/zinc/41/58/96/583415896.db2.gz RKIWJIHQFQKURL-VHSXEESVSA-N 1 2 225.292 1.223 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000366603796 583415898 /nfs/dbraw/zinc/41/58/98/583415898.db2.gz RKIWJIHQFQKURL-VHSXEESVSA-N 1 2 225.292 1.223 20 0 BDADLO O=C1CCN1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000857232516 588897791 /nfs/dbraw/zinc/89/77/91/588897791.db2.gz DIULNHWXRCNXBG-LLVKDONJSA-N 1 2 248.301 1.805 20 0 BDADLO O=C1CCN1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000857232516 588897793 /nfs/dbraw/zinc/89/77/93/588897793.db2.gz DIULNHWXRCNXBG-LLVKDONJSA-N 1 2 248.301 1.805 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1ccc(F)cn1 ZINC000894346969 583431577 /nfs/dbraw/zinc/43/15/77/583431577.db2.gz FLGQHRNFOQDBKM-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO O=C1CCN1C[N@H+]1CCc2c(F)cccc2C1 ZINC000857235031 588898670 /nfs/dbraw/zinc/89/86/70/588898670.db2.gz XJVKVRAEDIJLNN-UHFFFAOYSA-N 1 2 234.274 1.374 20 0 BDADLO O=C1CCN1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000857235031 588898672 /nfs/dbraw/zinc/89/86/72/588898672.db2.gz XJVKVRAEDIJLNN-UHFFFAOYSA-N 1 2 234.274 1.374 20 0 BDADLO Cc1cc(=O)[nH]c(CNc2cc(C)[nH+]cn2)n1 ZINC000894377895 583441832 /nfs/dbraw/zinc/44/18/32/583441832.db2.gz SDPSNGCODCODHC-UHFFFAOYSA-N 1 2 231.259 1.201 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1C ZINC000894430219 583456696 /nfs/dbraw/zinc/45/66/96/583456696.db2.gz BCVBQIFQHZPWGA-GHMZBOCLSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1C ZINC000894430219 583456698 /nfs/dbraw/zinc/45/66/98/583456698.db2.gz BCVBQIFQHZPWGA-GHMZBOCLSA-N 1 2 223.320 1.229 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nccn1C1CC1 ZINC000894434141 583458482 /nfs/dbraw/zinc/45/84/82/583458482.db2.gz AKFNELWZBGMEJL-JTQLQIEISA-N 1 2 223.320 1.685 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nccn1C1CC1 ZINC000894434141 583458484 /nfs/dbraw/zinc/45/84/84/583458484.db2.gz AKFNELWZBGMEJL-JTQLQIEISA-N 1 2 223.320 1.685 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nccn1C1CC1 ZINC000894465648 583468057 /nfs/dbraw/zinc/46/80/57/583468057.db2.gz YVMRLUKSSPJNIY-SECBINFHSA-N 1 2 209.293 1.031 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nccn1C1CC1 ZINC000894465648 583468058 /nfs/dbraw/zinc/46/80/58/583468058.db2.gz YVMRLUKSSPJNIY-SECBINFHSA-N 1 2 209.293 1.031 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H](C)c1cnccn1 ZINC000894470670 583469230 /nfs/dbraw/zinc/46/92/30/583469230.db2.gz OPFKIPAYZJEVOC-ZYHUDNBSSA-N 1 2 249.314 1.565 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1[C@H](C)c1cnccn1 ZINC000894470670 583469231 /nfs/dbraw/zinc/46/92/31/583469231.db2.gz OPFKIPAYZJEVOC-ZYHUDNBSSA-N 1 2 249.314 1.565 20 0 BDADLO Cc1coc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000894497680 583473050 /nfs/dbraw/zinc/47/30/50/583473050.db2.gz OUARXLWMXWTKAC-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1coc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000894497680 583473051 /nfs/dbraw/zinc/47/30/51/583473051.db2.gz OUARXLWMXWTKAC-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000894538800 583479729 /nfs/dbraw/zinc/47/97/29/583479729.db2.gz MAVPNGLHKJJVSV-ZJUUUORDSA-N 1 2 223.320 1.488 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000894538800 583479730 /nfs/dbraw/zinc/47/97/30/583479730.db2.gz MAVPNGLHKJJVSV-ZJUUUORDSA-N 1 2 223.320 1.488 20 0 BDADLO CN(C)c1cc(N[C@H]2COC3(CCC3)C2)[nH+]cn1 ZINC000894540959 583480412 /nfs/dbraw/zinc/48/04/12/583480412.db2.gz QTCWDWZTOZNJJG-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO CN(C)c1cc(N[C@H]2COC3(CCC3)C2)nc[nH+]1 ZINC000894540959 583480414 /nfs/dbraw/zinc/48/04/14/583480414.db2.gz QTCWDWZTOZNJJG-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CCC[C@](O)(C3CC3)C2)nc[nH+]1 ZINC000894545550 583481585 /nfs/dbraw/zinc/48/15/85/583481585.db2.gz YLDABUBAIIYFTH-CYBMUJFWSA-N 1 2 248.330 1.260 20 0 BDADLO CNc1cc(N2CCC[C@](O)(C3CC3)C2)[nH+]cn1 ZINC000894545550 583481587 /nfs/dbraw/zinc/48/15/87/583481587.db2.gz YLDABUBAIIYFTH-CYBMUJFWSA-N 1 2 248.330 1.260 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000894585063 583489670 /nfs/dbraw/zinc/48/96/70/583489670.db2.gz BMNKMZNXGUKMSB-GHMZBOCLSA-N 1 2 225.336 1.903 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000894585063 583489671 /nfs/dbraw/zinc/48/96/71/583489671.db2.gz BMNKMZNXGUKMSB-GHMZBOCLSA-N 1 2 225.336 1.903 20 0 BDADLO COc1ncc(CN(C)Cc2[nH]cc[nH+]2)s1 ZINC000894585130 583489677 /nfs/dbraw/zinc/48/96/77/583489677.db2.gz DPUVFRLPQACNMH-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO COCc1cc(CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000894587037 583490466 /nfs/dbraw/zinc/49/04/66/583490466.db2.gz ZJDPRQDSQOHASO-UHFFFAOYSA-N 1 2 236.275 1.176 20 0 BDADLO CSc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000894686652 583506862 /nfs/dbraw/zinc/50/68/62/583506862.db2.gz VOJRZFBUDJBJEW-LLVKDONJSA-N 1 2 245.319 1.908 20 0 BDADLO CSc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000894686652 583506863 /nfs/dbraw/zinc/50/68/63/583506863.db2.gz VOJRZFBUDJBJEW-LLVKDONJSA-N 1 2 245.319 1.908 20 0 BDADLO CC(C)COC(=O)C[NH+]1CCC(F)CC1 ZINC000880239831 583515368 /nfs/dbraw/zinc/51/53/68/583515368.db2.gz FXUZWVUIEGGSAL-UHFFFAOYSA-N 1 2 217.284 1.620 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncccc2OC)o1 ZINC000894777673 583519080 /nfs/dbraw/zinc/51/90/80/583519080.db2.gz ILLZATYANAUZAK-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO CCn1cc(C[NH+]2CC(C(F)F)C2)c(C)n1 ZINC000894829869 583527022 /nfs/dbraw/zinc/52/70/22/583527022.db2.gz GXXXUPRGVWBTRJ-UHFFFAOYSA-N 1 2 229.274 1.908 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CCC2(C)C)c1 ZINC000894839506 583529608 /nfs/dbraw/zinc/52/96/08/583529608.db2.gz KACPDQVWRZSNGM-SNVBAGLBSA-N 1 2 236.319 1.408 20 0 BDADLO Cc1cc[nH+]c(N)c1CNCC(C)(F)F ZINC000894859312 583533626 /nfs/dbraw/zinc/53/36/26/583533626.db2.gz GAGWMLVEFCGYBI-UHFFFAOYSA-N 1 2 215.247 1.717 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)no1 ZINC000894860207 583533429 /nfs/dbraw/zinc/53/34/29/583533429.db2.gz DJYZVBPORSXBMF-DTWKUNHWSA-N 1 2 210.277 1.661 20 0 BDADLO COCc1cc(C[N@H+]2C[C@H](C)[C@H]2C)no1 ZINC000894860207 583533432 /nfs/dbraw/zinc/53/34/32/583533432.db2.gz DJYZVBPORSXBMF-DTWKUNHWSA-N 1 2 210.277 1.661 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)no1 ZINC000894860208 583533543 /nfs/dbraw/zinc/53/35/43/583533543.db2.gz DJYZVBPORSXBMF-IUCAKERBSA-N 1 2 210.277 1.661 20 0 BDADLO COCc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)no1 ZINC000894860208 583533544 /nfs/dbraw/zinc/53/35/44/583533544.db2.gz DJYZVBPORSXBMF-IUCAKERBSA-N 1 2 210.277 1.661 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](O)CC2)c1C ZINC000894866106 583536874 /nfs/dbraw/zinc/53/68/74/583536874.db2.gz IIBMEKKWLDHKBE-LLVKDONJSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](O)CC2)c1C ZINC000894866106 583536877 /nfs/dbraw/zinc/53/68/77/583536877.db2.gz IIBMEKKWLDHKBE-LLVKDONJSA-N 1 2 223.320 1.373 20 0 BDADLO C[C@@H](NCc1[nH+]ccn1C1CC1)c1ccn(C)n1 ZINC000894865805 583537223 /nfs/dbraw/zinc/53/72/23/583537223.db2.gz MZNVTGXTDHGCOD-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccn(C)n1 ZINC000894865805 583537226 /nfs/dbraw/zinc/53/72/26/583537226.db2.gz MZNVTGXTDHGCOD-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1ncc(C[NH+]2CC(C(F)(F)F)C2)o1 ZINC000894890296 583548089 /nfs/dbraw/zinc/54/80/89/583548089.db2.gz HUHIBOBEYZQNCK-UHFFFAOYSA-N 1 2 220.194 1.977 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]C1CC(SC)C1 ZINC000894898981 583550900 /nfs/dbraw/zinc/55/09/00/583550900.db2.gz YDCGQIUDDFTISN-ILDUYXDCSA-N 1 2 243.372 1.812 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ocnc2C)o1 ZINC000894918239 583555228 /nfs/dbraw/zinc/55/52/28/583555228.db2.gz SOITUUIVLIQLSZ-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@@H](O)C(F)F)[nH+]1 ZINC000894916817 583555233 /nfs/dbraw/zinc/55/52/33/583555233.db2.gz XEHUFEKXTNPDGL-VXNVDRBHSA-N 1 2 246.257 1.563 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C(=O)OC(C)(C)C ZINC000894954232 583559681 /nfs/dbraw/zinc/55/96/81/583559681.db2.gz KSNRSTLRXPSANW-HOTUBEGUSA-N 1 2 229.320 1.220 20 0 BDADLO Cc1cc(N2CC(OC(C)C)C2)nc[nH+]1 ZINC000894968195 583560496 /nfs/dbraw/zinc/56/04/96/583560496.db2.gz UKAHMNCEZMTLRS-UHFFFAOYSA-N 1 2 207.277 1.399 20 0 BDADLO COC1CN(Cc2[nH]cc(C(C)C)[nH+]2)C1 ZINC000894968979 583560848 /nfs/dbraw/zinc/56/08/48/583560848.db2.gz BPMLKBRGDONEGH-UHFFFAOYSA-N 1 2 209.293 1.364 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCC(C)(C)SC ZINC000894971754 583561267 /nfs/dbraw/zinc/56/12/67/583561267.db2.gz GSYBUIFUAVYWSZ-NSHDSACASA-N 1 2 249.376 1.032 20 0 BDADLO CNc1cc(N[C@@H]2CCCn3nccc32)nc[nH+]1 ZINC000895045612 583571735 /nfs/dbraw/zinc/57/17/35/583571735.db2.gz ZQTLSWQIIGQPKV-SECBINFHSA-N 1 2 244.302 1.662 20 0 BDADLO CNc1cc(N[C@@H]2CCCn3nccc32)[nH+]cn1 ZINC000895045612 583571737 /nfs/dbraw/zinc/57/17/37/583571737.db2.gz ZQTLSWQIIGQPKV-SECBINFHSA-N 1 2 244.302 1.662 20 0 BDADLO CC(C)c1c[nH]c(CN2CN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000895087196 583584862 /nfs/dbraw/zinc/58/48/62/583584862.db2.gz BJWDKVCBPQTUJL-VIFPVBQESA-N 1 2 236.319 1.153 20 0 BDADLO CC(C)(O)[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000895091826 583587488 /nfs/dbraw/zinc/58/74/88/583587488.db2.gz RRBOSWRNOYJAJR-SNVBAGLBSA-N 1 2 246.314 1.327 20 0 BDADLO Cc1cnnn1-c1ccc([NH2+][C@H](C)CCO)cc1 ZINC000895107229 583589889 /nfs/dbraw/zinc/58/98/89/583589889.db2.gz KQHMVGOAGVRGME-SNVBAGLBSA-N 1 2 246.314 1.759 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccco2)[C@H]1C ZINC000895112741 583591831 /nfs/dbraw/zinc/59/18/31/583591831.db2.gz GBIPBMDTWBSQOH-GUBZILKMSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccco2)[C@H]1C ZINC000895112741 583591832 /nfs/dbraw/zinc/59/18/32/583591832.db2.gz GBIPBMDTWBSQOH-GUBZILKMSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cncs1 ZINC000895119206 583592678 /nfs/dbraw/zinc/59/26/78/583592678.db2.gz WIGFWUJAPHZZEH-YIZRAAEISA-N 1 2 239.344 1.240 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cncs1 ZINC000895119206 583592680 /nfs/dbraw/zinc/59/26/80/583592680.db2.gz WIGFWUJAPHZZEH-YIZRAAEISA-N 1 2 239.344 1.240 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000895174507 583614736 /nfs/dbraw/zinc/61/47/36/583614736.db2.gz GHYBCOOHHUCNMV-GFCCVEGCSA-N 1 2 248.326 1.374 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C1N=NC(=O)N1C ZINC000895174860 583614744 /nfs/dbraw/zinc/61/47/44/583614744.db2.gz HRXGBRKUWMYUEK-DTWKUNHWSA-N 1 2 247.302 1.328 20 0 BDADLO Cc1ccncc1C[NH2+][C@H](C)C1N=NC(=O)N1C ZINC000895175645 583615869 /nfs/dbraw/zinc/61/58/69/583615869.db2.gz OGUASLGHSQUXFG-SECBINFHSA-N 1 2 247.302 1.075 20 0 BDADLO Cc1nnc(CN(C)Cc2[nH]cc(C(C)C)[nH+]2)o1 ZINC000895250554 583633032 /nfs/dbraw/zinc/63/30/32/583633032.db2.gz FSYOJSKEJBTDOE-UHFFFAOYSA-N 1 2 249.318 1.857 20 0 BDADLO CC1=NO[C@@H](C[NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000895305746 583643899 /nfs/dbraw/zinc/64/38/99/583643899.db2.gz WCMKIYRYFWDQEN-LLVKDONJSA-N 1 2 237.307 1.113 20 0 BDADLO Cc1cc(C)n(CC[N@@H+]2Cc3ccncc3C2)n1 ZINC000857876609 588919062 /nfs/dbraw/zinc/91/90/62/588919062.db2.gz GULPDFFPYMLMIW-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C)n(CC[N@H+]2Cc3ccncc3C2)n1 ZINC000857876609 588919063 /nfs/dbraw/zinc/91/90/63/588919063.db2.gz GULPDFFPYMLMIW-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO COCCN(CCF)Cc1[nH+]ccn1C1CC1 ZINC000895356337 583658902 /nfs/dbraw/zinc/65/89/02/583658902.db2.gz VLVRMWJNVGGSGK-UHFFFAOYSA-N 1 2 241.310 1.636 20 0 BDADLO CC(C)C[C@@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895396652 583664636 /nfs/dbraw/zinc/66/46/36/583664636.db2.gz AGBBTQMYJSARSA-SNVBAGLBSA-N 1 2 233.377 1.397 20 0 BDADLO CC(C)C[C@@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895396652 583664635 /nfs/dbraw/zinc/66/46/35/583664635.db2.gz AGBBTQMYJSARSA-SNVBAGLBSA-N 1 2 233.377 1.397 20 0 BDADLO CCC[C@@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895398309 583665122 /nfs/dbraw/zinc/66/51/22/583665122.db2.gz PQKOGZGGFSLMLR-SECBINFHSA-N 1 2 219.350 1.151 20 0 BDADLO CCC[C@@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895398309 583665123 /nfs/dbraw/zinc/66/51/23/583665123.db2.gz PQKOGZGGFSLMLR-SECBINFHSA-N 1 2 219.350 1.151 20 0 BDADLO CCc1nc(N2CC=C[C@@H]2CO)cc(C)[nH+]1 ZINC000882977893 583665722 /nfs/dbraw/zinc/66/57/22/583665722.db2.gz WGRGVYGGCHZLDG-SNVBAGLBSA-N 1 2 219.288 1.085 20 0 BDADLO Cc1nc([C@H]2CCN(c3cc[nH+]cc3F)C2)no1 ZINC000895399729 583666194 /nfs/dbraw/zinc/66/61/94/583666194.db2.gz DQAYLMBCYCPCMR-VIFPVBQESA-N 1 2 248.261 1.906 20 0 BDADLO Cc1nnc(C[NH2+]C[C@@H]2CC(C)=NO2)s1 ZINC000895429160 583668614 /nfs/dbraw/zinc/66/86/14/583668614.db2.gz KNHKMPSXSQGPEF-QMMMGPOBSA-N 1 2 226.305 1.101 20 0 BDADLO CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895450169 583675695 /nfs/dbraw/zinc/67/56/95/583675695.db2.gz UWVHIXVERXWYIQ-UHFFFAOYSA-N 1 2 209.293 1.453 20 0 BDADLO CSC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884507 588920853 /nfs/dbraw/zinc/92/08/53/588920853.db2.gz JNFREJNACDWULV-QMMMGPOBSA-N 1 2 239.344 1.066 20 0 BDADLO CCn1nccc1C[NH2+]Cc1nccn1C1CC1 ZINC000895480338 583680501 /nfs/dbraw/zinc/68/05/01/583680501.db2.gz HJHHBVWTIUFESL-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2nc(F)ccc21 ZINC000857892127 588921560 /nfs/dbraw/zinc/92/15/60/588921560.db2.gz SNIMLUUEIVXLAT-UHFFFAOYSA-N 1 2 246.245 1.076 20 0 BDADLO c1cn(C2CC2)c(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000895540783 583687720 /nfs/dbraw/zinc/68/77/20/583687720.db2.gz JFGUWCZQUGFNRW-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO c1cn(C2CC2)c(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000895540783 583687721 /nfs/dbraw/zinc/68/77/21/583687721.db2.gz JFGUWCZQUGFNRW-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857892959 588921607 /nfs/dbraw/zinc/92/16/07/588921607.db2.gz NAKGJERUPSTERK-FQTVTVBISA-N 1 2 217.272 1.056 20 0 BDADLO CCC(F)(F)C[NH2+][C@H](C)COC(C)=O ZINC000895596990 583695244 /nfs/dbraw/zinc/69/52/44/583695244.db2.gz JQZNDSHQIAGWMT-SSDOTTSWSA-N 1 2 209.236 1.573 20 0 BDADLO CO[C@@]1(CNc2c[nH+]c(C)c(C)c2)CCOC1 ZINC000895646672 583698861 /nfs/dbraw/zinc/69/88/61/583698861.db2.gz XOKJTEICQWNZLN-CYBMUJFWSA-N 1 2 236.315 1.916 20 0 BDADLO Cc1cc(N2CCC[C@@H]2c2ccnn2C)nc[nH+]1 ZINC000895716211 583711323 /nfs/dbraw/zinc/71/13/23/583711323.db2.gz HOSIIAAFGSLDGA-GFCCVEGCSA-N 1 2 243.314 1.860 20 0 BDADLO Cc1cc(C[N@@H+]2CCCn3nncc3C2)sn1 ZINC000895756356 583720768 /nfs/dbraw/zinc/72/07/68/583720768.db2.gz VKCPUKVIVJZMNJ-UHFFFAOYSA-N 1 2 249.343 1.449 20 0 BDADLO Cc1cc(C[N@H+]2CCCn3nncc3C2)sn1 ZINC000895756356 583720769 /nfs/dbraw/zinc/72/07/69/583720769.db2.gz VKCPUKVIVJZMNJ-UHFFFAOYSA-N 1 2 249.343 1.449 20 0 BDADLO Cc1cc(N2CCO[C@H](C)CC2)nc[nH+]1 ZINC000895757805 583721249 /nfs/dbraw/zinc/72/12/49/583721249.db2.gz FUDHEDOSHMCSIH-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCO[C@@H](C)CC1 ZINC000895761061 583721770 /nfs/dbraw/zinc/72/17/70/583721770.db2.gz AMPRWCSFAJUKRQ-VIFPVBQESA-N 1 2 237.303 1.409 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000895764099 583722726 /nfs/dbraw/zinc/72/27/26/583722726.db2.gz FKBNUQHZRXJLFA-IUCAKERBSA-N 1 2 246.332 1.148 20 0 BDADLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ncco1 ZINC000895763612 583722783 /nfs/dbraw/zinc/72/27/83/583722783.db2.gz DIRIQFPWZVAQFM-NHCYSSNCSA-N 1 2 235.331 1.808 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000895808645 583729490 /nfs/dbraw/zinc/72/94/90/583729490.db2.gz LQDXTXQDRWVMEP-KGLIPLIRSA-N 1 2 245.322 1.839 20 0 BDADLO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCOC1=O ZINC000895804009 583731562 /nfs/dbraw/zinc/73/15/62/583731562.db2.gz HISXXDIGJAWGCN-WPRPVWTQSA-N 1 2 225.313 1.584 20 0 BDADLO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCOC1=O ZINC000895803590 583731669 /nfs/dbraw/zinc/73/16/69/583731669.db2.gz DDDQTELVOCJESS-IUCAKERBSA-N 1 2 231.361 1.812 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCOC1=O)Cc1ccccc1 ZINC000895805950 583732256 /nfs/dbraw/zinc/73/22/56/583732256.db2.gz XZAQWHKKXFVVMY-AAEUAGOBSA-N 1 2 233.311 1.770 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857946947 588925113 /nfs/dbraw/zinc/92/51/13/588925113.db2.gz IUHRBZBBRSSGLM-MWLCHTKSSA-N 1 2 239.294 1.308 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979515 588925661 /nfs/dbraw/zinc/92/56/61/588925661.db2.gz CHQIYCTXGOLNEH-IUCAKERBSA-N 1 2 219.288 1.490 20 0 BDADLO CCN(CCC(N)=O)c1cc[nH+]c(C2CC2)n1 ZINC000895889203 583739716 /nfs/dbraw/zinc/73/97/16/583739716.db2.gz MGWDMDDCJHSYEV-UHFFFAOYSA-N 1 2 234.303 1.056 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000895911753 583745627 /nfs/dbraw/zinc/74/56/27/583745627.db2.gz WGUNFQUIVYUHBZ-KWQFWETISA-N 1 2 244.298 1.659 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccoc1 ZINC000895923305 583747399 /nfs/dbraw/zinc/74/73/99/583747399.db2.gz WGIXJFGOZJBUNI-OUAUKWLOSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccoc1 ZINC000895923305 583747401 /nfs/dbraw/zinc/74/74/01/583747401.db2.gz WGIXJFGOZJBUNI-OUAUKWLOSA-N 1 2 236.315 1.719 20 0 BDADLO O=C(CSC1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976269 588926097 /nfs/dbraw/zinc/92/60/97/588926097.db2.gz AOPWWUTULPLRJL-SECBINFHSA-N 1 2 237.328 1.340 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C12CC(C1)C2 ZINC000857976054 588926153 /nfs/dbraw/zinc/92/61/53/588926153.db2.gz WOJNCRVNNYSGFC-NBBOBHDQSA-N 1 2 217.272 1.244 20 0 BDADLO CSC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976022 588926222 /nfs/dbraw/zinc/92/62/22/588926222.db2.gz VTDGYWTVGWNOKP-MRVPVSSYSA-N 1 2 239.344 1.586 20 0 BDADLO CCc1nc(N(C)[C@@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000895955302 583752545 /nfs/dbraw/zinc/75/25/45/583752545.db2.gz TYHGYWUKKBDHPH-SNVBAGLBSA-N 1 2 248.330 1.096 20 0 BDADLO CC(C)OC1C[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000895956894 583752614 /nfs/dbraw/zinc/75/26/14/583752614.db2.gz YLDNITPOMXFMCA-UHFFFAOYSA-N 1 2 249.358 1.907 20 0 BDADLO CO[C@@H]1CN(Cc2c[nH+]cn2C(C)C)CCO1 ZINC000895963565 583753898 /nfs/dbraw/zinc/75/38/98/583753898.db2.gz PQWSJIMWESYGAU-LBPRGKRZSA-N 1 2 239.319 1.269 20 0 BDADLO CCc1occc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978216 588926719 /nfs/dbraw/zinc/92/67/19/588926719.db2.gz CQCKHRAOSZNVIM-JTQLQIEISA-N 1 2 245.282 1.913 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857978685 588926721 /nfs/dbraw/zinc/92/67/21/588926721.db2.gz QBRDSDPXTGMEBX-SEUFLZDSSA-N 1 2 247.298 1.179 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccnc1F ZINC000857978418 588926725 /nfs/dbraw/zinc/92/67/25/588926725.db2.gz FQTUTQJNELBCCK-VIFPVBQESA-N 1 2 246.245 1.292 20 0 BDADLO CCC(F)(F)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895990506 583756861 /nfs/dbraw/zinc/75/68/61/583756861.db2.gz WHMGQQYUJOWJHW-UHFFFAOYSA-N 1 2 246.261 1.265 20 0 BDADLO COC/C(C)=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979694 588927697 /nfs/dbraw/zinc/92/76/97/588927697.db2.gz YXCXVHHJGXUEQB-HYHWUIIZSA-N 1 2 235.287 1.037 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1=CCCCO1 ZINC000857982133 588927734 /nfs/dbraw/zinc/92/77/34/588927734.db2.gz GETRWSFOGISARL-VIFPVBQESA-N 1 2 233.271 1.138 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982529 588927892 /nfs/dbraw/zinc/92/78/92/588927892.db2.gz PFNFARRNSFZAOW-LLMHMKPQSA-N 1 2 231.299 1.967 20 0 BDADLO C/C=C(/C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984852 588928369 /nfs/dbraw/zinc/92/83/69/588928369.db2.gz FILBFBLQZNOEGJ-CHDHTGKKSA-N 1 2 205.261 1.410 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CC12CCC2 ZINC000857983642 588928714 /nfs/dbraw/zinc/92/87/14/588928714.db2.gz UICBKTNGXXQARH-ZJUUUORDSA-N 1 2 231.299 1.634 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983748 588928742 /nfs/dbraw/zinc/92/87/42/588928742.db2.gz DGBJPSPMBSCZHH-ONGXEEELSA-N 1 2 249.314 1.259 20 0 BDADLO CS/C=C\C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985022 588928777 /nfs/dbraw/zinc/92/87/77/588928777.db2.gz FYMJJVGYSXRFSQ-NHLYECAPSA-N 1 2 223.301 1.321 20 0 BDADLO CCC[C@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000896187769 583781902 /nfs/dbraw/zinc/78/19/02/583781902.db2.gz UJLIOMWUNBGYMZ-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO CCC[C@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000896187769 583781904 /nfs/dbraw/zinc/78/19/04/583781904.db2.gz UJLIOMWUNBGYMZ-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO O=C(CCC1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985577 588929233 /nfs/dbraw/zinc/92/92/33/588929233.db2.gz IJYOGPAVKHACHY-SNVBAGLBSA-N 1 2 219.288 1.634 20 0 BDADLO Cc1nc(N[C@H]2CCS[C@@H](C)C2)nc(N)[nH+]1 ZINC000896250583 583786151 /nfs/dbraw/zinc/78/61/51/583786151.db2.gz SJFQGRCSISWERU-XPUUQOCRSA-N 1 2 239.348 1.458 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCS[C@@H](C)C2)[nH+]1 ZINC000896250583 583786152 /nfs/dbraw/zinc/78/61/52/583786152.db2.gz SJFQGRCSISWERU-XPUUQOCRSA-N 1 2 239.348 1.458 20 0 BDADLO Cc1nc(N[C@@H]2CCS[C@H](C)C2)nc(N)[nH+]1 ZINC000896250580 583786191 /nfs/dbraw/zinc/78/61/91/583786191.db2.gz SJFQGRCSISWERU-HTRCEHHLSA-N 1 2 239.348 1.458 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCS[C@H](C)C2)[nH+]1 ZINC000896250580 583786193 /nfs/dbraw/zinc/78/61/93/583786193.db2.gz SJFQGRCSISWERU-HTRCEHHLSA-N 1 2 239.348 1.458 20 0 BDADLO C[NH+](C)C1(c2nc(Cc3cnccn3)no2)CC1 ZINC000896262431 583787662 /nfs/dbraw/zinc/78/76/62/583787662.db2.gz OSCXHYQGUYSEAO-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCOC(=O)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000896267115 583788061 /nfs/dbraw/zinc/78/80/61/583788061.db2.gz WXJQNBDJEADNJQ-JTQLQIEISA-N 1 2 235.287 1.174 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(O)CCCCC1 ZINC000857985579 588929457 /nfs/dbraw/zinc/92/94/57/588929457.db2.gz IKGSQXHPLJCFPH-JTQLQIEISA-N 1 2 249.314 1.139 20 0 BDADLO CCc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)[nH]n1 ZINC000857989416 588930088 /nfs/dbraw/zinc/93/00/88/588930088.db2.gz MWNADULAEGUYKQ-SECBINFHSA-N 1 2 245.286 1.043 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C(C)(C)F)CCN2 ZINC000857999811 588930282 /nfs/dbraw/zinc/93/02/82/588930282.db2.gz OJNRRDAJCAWNIQ-UHFFFAOYSA-N 1 2 237.278 1.897 20 0 BDADLO O[C@@H]1CCOC2(CCN(c3cccc[nH+]3)CC2)C1 ZINC000896574706 583813594 /nfs/dbraw/zinc/81/35/94/583813594.db2.gz VWWIDDZWZNTWBS-GFCCVEGCSA-N 1 2 248.326 1.592 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn(C)nc2Cl)CCO1 ZINC000896579047 583814475 /nfs/dbraw/zinc/81/44/75/583814475.db2.gz MIZGIWJXWYHESY-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2Cl)CCO1 ZINC000896579047 583814476 /nfs/dbraw/zinc/81/44/76/583814476.db2.gz MIZGIWJXWYHESY-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@@H](COC)OC)no1 ZINC000896652110 583820651 /nfs/dbraw/zinc/82/06/51/583820651.db2.gz IADUQZLRPIPLLN-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@@H](COC)OC)no1 ZINC000896652110 583820652 /nfs/dbraw/zinc/82/06/52/583820652.db2.gz IADUQZLRPIPLLN-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cc(F)ncn1)C2 ZINC000896655202 583821414 /nfs/dbraw/zinc/82/14/14/583821414.db2.gz VPBQGKXFSXPPEA-UHFFFAOYSA-N 1 2 247.277 1.395 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2C[C@H](CO)C2)[nH+]c1 ZINC000896695500 583824416 /nfs/dbraw/zinc/82/44/16/583824416.db2.gz UYUDMBRQBLSFQF-QXEWZRGKSA-N 1 2 222.288 1.318 20 0 BDADLO CCc1nc(N(C)Cc2cccc(=O)[nH]2)cc[nH+]1 ZINC000896733547 583828129 /nfs/dbraw/zinc/82/81/29/583828129.db2.gz SPUQYJUFMOVRCE-UHFFFAOYSA-N 1 2 244.298 1.776 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1nccn1C ZINC000858194528 588938546 /nfs/dbraw/zinc/93/85/46/588938546.db2.gz DQUYRUIUFDLDIR-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(C3CC3)CC2)[nH+]c1C ZINC000896905697 583851189 /nfs/dbraw/zinc/85/11/89/583851189.db2.gz KMTDRMOXFFGBGX-UHFFFAOYSA-N 1 2 233.315 1.833 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]c1C ZINC000896909649 583851957 /nfs/dbraw/zinc/85/19/57/583851957.db2.gz GZQYZFNAKUATSH-MXWKQRLJSA-N 1 2 249.314 1.210 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccn(C)c2C)[nH+]c1C ZINC000896909931 583852498 /nfs/dbraw/zinc/85/24/98/583852498.db2.gz DUYWISUINCMDNW-UHFFFAOYSA-N 1 2 246.314 1.603 20 0 BDADLO Cc1[nH]c(CNC(=O)C2=C(C)OCCC2)[nH+]c1C ZINC000896916707 583855134 /nfs/dbraw/zinc/85/51/34/583855134.db2.gz PVKBXXWERONJBK-UHFFFAOYSA-N 1 2 249.314 1.727 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000896925717 583858062 /nfs/dbraw/zinc/85/80/62/583858062.db2.gz OCVSNOIDIKBEJB-GHMZBOCLSA-N 1 2 226.320 1.222 20 0 BDADLO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)NOC ZINC000896924154 583858419 /nfs/dbraw/zinc/85/84/19/583858419.db2.gz LXRNNONAWDBGHW-GHMZBOCLSA-N 1 2 228.336 1.470 20 0 BDADLO CONC(=O)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000896927016 583858501 /nfs/dbraw/zinc/85/85/01/583858501.db2.gz NZWZMVDTTCEGFZ-UHFFFAOYSA-N 1 2 248.326 1.508 20 0 BDADLO CCCC[C@H](C)[C@@H](C)[NH2+]CC(=O)NOC ZINC000896927345 583859513 /nfs/dbraw/zinc/85/95/13/583859513.db2.gz QDDFCJAFMJGLIY-VHSXEESVSA-N 1 2 216.325 1.468 20 0 BDADLO Cc1[nH]c(CNC(=O)Cc2cccs2)[nH+]c1C ZINC000896929515 583860157 /nfs/dbraw/zinc/86/01/57/583860157.db2.gz JFCJJLJMNRXAOC-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC2CC=CC2)c[nH+]1 ZINC000896976163 583865499 /nfs/dbraw/zinc/86/54/99/583865499.db2.gz AVUWOPKIURYLNE-UHFFFAOYSA-N 1 2 233.315 1.761 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]1 ZINC000897071568 583878225 /nfs/dbraw/zinc/87/82/25/583878225.db2.gz GNYOTSCVLXFJJF-RFRMLBIUSA-N 1 2 246.310 1.723 20 0 BDADLO c1ccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]c1 ZINC000897077455 583879123 /nfs/dbraw/zinc/87/91/23/583879123.db2.gz GQKBCIWOPWDICN-ULHKAFAUSA-N 1 2 202.257 1.669 20 0 BDADLO Cc1nc(N2CCCCCNC(=O)CC2)cc[nH+]1 ZINC000897159789 583885932 /nfs/dbraw/zinc/88/59/32/583885932.db2.gz NZIHSORLZNKACU-UHFFFAOYSA-N 1 2 248.330 1.282 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000897147661 583886127 /nfs/dbraw/zinc/88/61/27/583886127.db2.gz OZVFHRYPXZLUGE-MNOVXSKESA-N 1 2 246.314 1.880 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897177174 583889972 /nfs/dbraw/zinc/88/99/72/583889972.db2.gz KQJWLRMVIKEQFY-IWSPIJDZSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897177174 583889974 /nfs/dbraw/zinc/88/99/74/583889974.db2.gz KQJWLRMVIKEQFY-IWSPIJDZSA-N 1 2 234.303 1.668 20 0 BDADLO CNc1cc(N[C@@H](C)Cc2cccnc2)nc[nH+]1 ZINC000897195421 583893680 /nfs/dbraw/zinc/89/36/80/583893680.db2.gz JPWRMRAOBLGTKY-JTQLQIEISA-N 1 2 243.314 1.956 20 0 BDADLO CNc1cc(N[C@@H](C)Cc2cccnc2)[nH+]cn1 ZINC000897195421 583893682 /nfs/dbraw/zinc/89/36/82/583893682.db2.gz JPWRMRAOBLGTKY-JTQLQIEISA-N 1 2 243.314 1.956 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(CCCCF)no1 ZINC000897203311 583895584 /nfs/dbraw/zinc/89/55/84/583895584.db2.gz OTXXGRQEMSGZLA-UHFFFAOYSA-N 1 2 238.266 1.686 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C(C)C)n2)[nH]1 ZINC000897209068 583895606 /nfs/dbraw/zinc/89/56/06/583895606.db2.gz LZDMCHXDNFEHRR-UHFFFAOYSA-N 1 2 232.291 1.639 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1cccs1 ZINC000728548108 583897737 /nfs/dbraw/zinc/89/77/37/583897737.db2.gz YXYNNUZTLJBILP-PLNGDYQASA-N 1 2 247.323 1.811 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCc2ccno2)c[nH+]1 ZINC000897311877 583915178 /nfs/dbraw/zinc/91/51/78/583915178.db2.gz PRUQDLFTHPLOBU-UHFFFAOYSA-N 1 2 248.286 1.231 20 0 BDADLO O=[S@](Cc1[nH+]ccn1CC(F)F)C1CCC1 ZINC000871611437 583939478 /nfs/dbraw/zinc/93/94/78/583939478.db2.gz OVQJBPHYFVVSJG-MRXNPFEDSA-N 1 2 248.298 1.949 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@H](O)[C@@H](F)C1 ZINC000897377373 583946569 /nfs/dbraw/zinc/94/65/69/583946569.db2.gz FKVLKBXXDYSBNR-CABZTGNLSA-N 1 2 249.289 1.482 20 0 BDADLO Nc1nc(NC/C=C\Cl)nc(C2CC2)[nH+]1 ZINC000897500632 583997836 /nfs/dbraw/zinc/99/78/36/583997836.db2.gz HIXXRNUBYNWAGX-RJRFIUFISA-N 1 2 225.683 1.496 20 0 BDADLO Nc1nc(NC/C=C\Cl)[nH+]c(C2CC2)n1 ZINC000897500632 583997837 /nfs/dbraw/zinc/99/78/37/583997837.db2.gz HIXXRNUBYNWAGX-RJRFIUFISA-N 1 2 225.683 1.496 20 0 BDADLO CC1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000864074583 584000598 /nfs/dbraw/zinc/00/05/98/584000598.db2.gz YHMPQAUZJHZBDQ-UHFFFAOYSA-N 1 2 207.277 1.115 20 0 BDADLO CC1CC(CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000864074583 584000599 /nfs/dbraw/zinc/00/05/99/584000599.db2.gz YHMPQAUZJHZBDQ-UHFFFAOYSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000897678809 584035800 /nfs/dbraw/zinc/03/58/00/584035800.db2.gz FKHJYVLXAKXVLL-XVKPBYJWSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000897678809 584035802 /nfs/dbraw/zinc/03/58/02/584035802.db2.gz FKHJYVLXAKXVLL-XVKPBYJWSA-N 1 2 228.242 1.172 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)OC ZINC000897834661 584052825 /nfs/dbraw/zinc/05/28/25/584052825.db2.gz VCXYNMNCEFCTOA-OPRDCNLKSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)OC ZINC000897833879 584052921 /nfs/dbraw/zinc/05/29/21/584052921.db2.gz BJJKOYYHSJQSGX-UKKRHICBSA-N 1 2 229.320 1.484 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@@H]2C)c[nH+]1 ZINC000897852548 584054680 /nfs/dbraw/zinc/05/46/80/584054680.db2.gz FQDDECVBSMPWOF-KOLCDFICSA-N 1 2 235.331 1.793 20 0 BDADLO Cn1cc[nH+]c1CNc1cnn(C2CCC2)c1 ZINC000897875511 584056758 /nfs/dbraw/zinc/05/67/58/584056758.db2.gz GQOMNONEFGVOHM-UHFFFAOYSA-N 1 2 231.303 1.954 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1cc(C)co1 ZINC000898022486 584075743 /nfs/dbraw/zinc/07/57/43/584075743.db2.gz GUFCDXWKHDPMJD-UHFFFAOYSA-N 1 2 235.287 1.620 20 0 BDADLO Cc1cn[nH]c1CNCC[N@@H+]1CCC(C)(C)C1 ZINC000898033740 584078146 /nfs/dbraw/zinc/07/81/46/584078146.db2.gz AVXQDAOMLHNGQS-UHFFFAOYSA-N 1 2 236.363 1.540 20 0 BDADLO Cc1cn[nH]c1CNCC[N@H+]1CCC(C)(C)C1 ZINC000898033740 584078149 /nfs/dbraw/zinc/07/81/49/584078149.db2.gz AVXQDAOMLHNGQS-UHFFFAOYSA-N 1 2 236.363 1.540 20 0 BDADLO Cc1cn[nH]c1C[NH2+]CCN1CCC(C)(C)C1 ZINC000898033740 584078151 /nfs/dbraw/zinc/07/81/51/584078151.db2.gz AVXQDAOMLHNGQS-UHFFFAOYSA-N 1 2 236.363 1.540 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000898042629 584080458 /nfs/dbraw/zinc/08/04/58/584080458.db2.gz UURBYACFINUICZ-UHFFFAOYSA-N 1 2 245.330 1.631 20 0 BDADLO CCOc1cncc(C[NH2+]Cc2cn(C)cn2)c1 ZINC000898042191 584080482 /nfs/dbraw/zinc/08/04/82/584080482.db2.gz KPOAEPAUNJMWKJ-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CCn1ncnc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160000 584087632 /nfs/dbraw/zinc/08/76/32/584087632.db2.gz MHVDNWFWCXZCBJ-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172426 584088949 /nfs/dbraw/zinc/08/89/49/584088949.db2.gz HWAAMTLBSBUWHS-UHFFFAOYSA-N 1 2 245.326 1.543 20 0 BDADLO OCCc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000898172567 584089052 /nfs/dbraw/zinc/08/90/52/584089052.db2.gz OXZZPHVQLYHFAB-UHFFFAOYSA-N 1 2 231.299 1.234 20 0 BDADLO O[C@@H]1CCN(Cc2[nH+]ccn2C2CC2)C[C@@H]1F ZINC000898183426 584093491 /nfs/dbraw/zinc/09/34/91/584093491.db2.gz JJZNIUDFDNXCQK-WDEREUQCSA-N 1 2 239.294 1.123 20 0 BDADLO Fc1nccnc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000858468839 588958114 /nfs/dbraw/zinc/95/81/14/588958114.db2.gz MBQCYVUMZDZLLC-QMMMGPOBSA-N 1 2 233.250 1.680 20 0 BDADLO CCCn1cc(C[NH2+]C/C=C/Cl)nn1 ZINC000898424223 584132227 /nfs/dbraw/zinc/13/22/27/584132227.db2.gz CJYQVSFMSXKPFT-ONEGZZNKSA-N 1 2 214.700 1.530 20 0 BDADLO Cn1c(Cl)cnc1C[NH2+]C/C=C/Cl ZINC000898429056 584132882 /nfs/dbraw/zinc/13/28/82/584132882.db2.gz LVPBAAHECPVBFU-NSCUHMNNSA-N 1 2 220.103 1.916 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C2CC2)CC1 ZINC000898580006 584143772 /nfs/dbraw/zinc/14/37/72/584143772.db2.gz ZMRIPDOTRJZXOL-UHFFFAOYSA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C2CC2)CC1 ZINC000898580006 584143775 /nfs/dbraw/zinc/14/37/75/584143775.db2.gz ZMRIPDOTRJZXOL-UHFFFAOYSA-N 1 2 219.288 1.558 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2(C3CC3)CC2)c1 ZINC000898627797 584146872 /nfs/dbraw/zinc/14/68/72/584146872.db2.gz NPFXTFJECHMBSZ-UHFFFAOYSA-N 1 2 234.303 1.162 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898628094 584147298 /nfs/dbraw/zinc/14/72/98/584147298.db2.gz QLOGFWVZGPNRDH-ZJUUUORDSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000898619511 584147664 /nfs/dbraw/zinc/14/76/64/584147664.db2.gz KTRBWKTVMVZOCH-MRVPVSSYSA-N 1 2 222.292 1.018 20 0 BDADLO CC[C@@H](OC)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901054 584165021 /nfs/dbraw/zinc/16/50/21/584165021.db2.gz CNVHLISMEMJWGC-SNVBAGLBSA-N 1 2 239.319 1.159 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(CC)nn2)CCCO1 ZINC000898917543 584165653 /nfs/dbraw/zinc/16/56/53/584165653.db2.gz NLOFRYGKTBDFFD-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(CC)nn2)CCCO1 ZINC000898917543 584165655 /nfs/dbraw/zinc/16/56/55/584165655.db2.gz NLOFRYGKTBDFFD-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899143179 584177165 /nfs/dbraw/zinc/17/71/65/584177165.db2.gz VQZQJVIMEWAYHK-PCAWENJQSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000899143179 584177166 /nfs/dbraw/zinc/17/71/66/584177166.db2.gz VQZQJVIMEWAYHK-PCAWENJQSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000899143179 584177167 /nfs/dbraw/zinc/17/71/67/584177167.db2.gz VQZQJVIMEWAYHK-PCAWENJQSA-N 1 2 248.330 1.482 20 0 BDADLO CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000899143179 584177168 /nfs/dbraw/zinc/17/71/68/584177168.db2.gz VQZQJVIMEWAYHK-PCAWENJQSA-N 1 2 248.330 1.482 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC23CCC3)c[nH+]1 ZINC000899200404 584180718 /nfs/dbraw/zinc/18/07/18/584180718.db2.gz LJGZVVSNRJRDTL-LLVKDONJSA-N 1 2 247.342 1.985 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC[C@@H]3C)cc2[nH+]1 ZINC000899201875 584181441 /nfs/dbraw/zinc/18/14/41/584181441.db2.gz ZPJPZTPGCUOACI-JTQLQIEISA-N 1 2 229.283 1.877 20 0 BDADLO Fc1nccnc1N[C@H]1CCn2cc[nH+]c21 ZINC000858557737 588965643 /nfs/dbraw/zinc/96/56/43/588965643.db2.gz YAWWRNONGOCULN-ZETCQYMHSA-N 1 2 219.223 1.369 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000899415236 584214461 /nfs/dbraw/zinc/21/44/61/584214461.db2.gz SZIWUCFPQNABIY-VOAKCMCISA-N 1 2 247.342 1.682 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c[nH+]1 ZINC000899416725 584215009 /nfs/dbraw/zinc/21/50/09/584215009.db2.gz RRKHRBBEGXNOKF-PXIYARARSA-N 1 2 233.315 1.740 20 0 BDADLO CC(C)CS(=O)(=O)CCc1c[nH+]cn1C ZINC000899475678 584218168 /nfs/dbraw/zinc/21/81/68/584218168.db2.gz PDHNLOQRHHEWJB-UHFFFAOYSA-N 1 2 230.333 1.033 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1(C2CC2)CCC1 ZINC000899823075 584239826 /nfs/dbraw/zinc/23/98/26/584239826.db2.gz ULMCEUPWUACJIT-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CCn1cc(C[N@@H+]2CCC(F)(F)C[C@H]2C)nn1 ZINC000899888390 584247436 /nfs/dbraw/zinc/24/74/36/584247436.db2.gz KXXVNEMTNIRZFL-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CCn1cc(C[N@H+]2CCC(F)(F)C[C@H]2C)nn1 ZINC000899888390 584247437 /nfs/dbraw/zinc/24/74/37/584247437.db2.gz KXXVNEMTNIRZFL-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CC[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000899904257 584250621 /nfs/dbraw/zinc/25/06/21/584250621.db2.gz IAIVARNFMQKKTA-SECBINFHSA-N 1 2 207.277 1.408 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000899917592 584255116 /nfs/dbraw/zinc/25/51/16/584255116.db2.gz NHEYSUJYDOSICV-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO CC1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900011669 584266352 /nfs/dbraw/zinc/26/63/52/584266352.db2.gz YWVRALCDWBXKAG-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCc2sccc2C1 ZINC000900052719 584268802 /nfs/dbraw/zinc/26/88/02/584268802.db2.gz NOBFCCMZWBRGSR-UHFFFAOYSA-N 1 2 247.323 1.599 20 0 BDADLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000900377979 584299393 /nfs/dbraw/zinc/29/93/93/584299393.db2.gz IGSVOSSJYBZLIF-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CC1(NC(=O)Cc2c[nH+]c[nH]2)CCCC1 ZINC000900377979 584299394 /nfs/dbraw/zinc/29/93/94/584299394.db2.gz IGSVOSSJYBZLIF-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000900446412 584311518 /nfs/dbraw/zinc/31/15/18/584311518.db2.gz MUIXCBIZNYKECS-FZJVJALKSA-N 1 2 249.314 1.400 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000900446415 584311520 /nfs/dbraw/zinc/31/15/20/584311520.db2.gz MUIXCBIZNYKECS-UJYZRXPGSA-N 1 2 249.314 1.400 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnc(C)n1C ZINC000900455318 584313247 /nfs/dbraw/zinc/31/32/47/584313247.db2.gz QXSFQODFNLVCNR-UHFFFAOYSA-N 1 2 246.270 1.384 20 0 BDADLO C[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900486577 584316344 /nfs/dbraw/zinc/31/63/44/584316344.db2.gz ZSKGSNRWWIPCRN-JTQLQIEISA-N 1 2 219.288 1.362 20 0 BDADLO COC(=O)C1=CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000858691640 588974806 /nfs/dbraw/zinc/97/48/06/588974806.db2.gz IDLSBZUJOFFDOG-JTQLQIEISA-N 1 2 233.271 1.459 20 0 BDADLO O=C(CC(F)(F)C(F)F)NCc1[nH]cc[nH+]1 ZINC000900667173 584337682 /nfs/dbraw/zinc/33/76/82/584337682.db2.gz ZBKCLKOEDFWHFY-UHFFFAOYSA-N 1 2 239.172 1.316 20 0 BDADLO C/C(Cl)=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000900695080 584339106 /nfs/dbraw/zinc/33/91/06/584339106.db2.gz KUXLWZRYNOIIBC-NTMALXAHSA-N 1 2 241.722 1.922 20 0 BDADLO CC(C)OCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900796848 584353261 /nfs/dbraw/zinc/35/32/61/584353261.db2.gz PQZQVQFODRQFOM-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CC(C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900831514 584354868 /nfs/dbraw/zinc/35/48/68/584354868.db2.gz MKBMRTZMJALBOL-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO CC(C)(NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900831514 584354871 /nfs/dbraw/zinc/35/48/71/584354871.db2.gz MKBMRTZMJALBOL-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO COC(C)(C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900844079 584356062 /nfs/dbraw/zinc/35/60/62/584356062.db2.gz QIYACTFGGPUNSA-SECBINFHSA-N 1 2 239.319 1.272 20 0 BDADLO COC(C)(C)C[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900844079 584356064 /nfs/dbraw/zinc/35/60/64/584356064.db2.gz QIYACTFGGPUNSA-SECBINFHSA-N 1 2 239.319 1.272 20 0 BDADLO CS[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900862388 584358618 /nfs/dbraw/zinc/35/86/18/584358618.db2.gz HCCSAVZNUZUZOY-SCZZXKLOSA-N 1 2 239.344 1.353 20 0 BDADLO CS[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900862388 584358619 /nfs/dbraw/zinc/35/86/19/584358619.db2.gz HCCSAVZNUZUZOY-SCZZXKLOSA-N 1 2 239.344 1.353 20 0 BDADLO CC(C)Cn1cc(NC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900873888 584359492 /nfs/dbraw/zinc/35/94/92/584359492.db2.gz HQWKCWNXZQNXCF-UHFFFAOYSA-N 1 2 247.302 1.443 20 0 BDADLO CC(C)Cn1cc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900873888 584359494 /nfs/dbraw/zinc/35/94/94/584359494.db2.gz HQWKCWNXZQNXCF-UHFFFAOYSA-N 1 2 247.302 1.443 20 0 BDADLO CC1(C)CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900881331 584360639 /nfs/dbraw/zinc/36/06/39/584360639.db2.gz MFAJEORZIQMKOE-UHFFFAOYSA-N 1 2 233.315 1.752 20 0 BDADLO Cc1[nH]c(CNC(=O)C=CC2CC2)[nH+]c1C ZINC000900998369 584375186 /nfs/dbraw/zinc/37/51/86/584375186.db2.gz SWGAVXLPEBYJPN-WAYWQWQTSA-N 1 2 219.288 1.609 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C\C2CC2)[nH+]c1C ZINC000900998369 584375189 /nfs/dbraw/zinc/37/51/89/584375189.db2.gz SWGAVXLPEBYJPN-WAYWQWQTSA-N 1 2 219.288 1.609 20 0 BDADLO CC[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901031431 584375567 /nfs/dbraw/zinc/37/55/67/584375567.db2.gz MMSISQFQRBNGQQ-GFCCVEGCSA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901031432 584375858 /nfs/dbraw/zinc/37/58/58/584375858.db2.gz MMSISQFQRBNGQQ-LBPRGKRZSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCS1 ZINC000901036197 584376420 /nfs/dbraw/zinc/37/64/20/584376420.db2.gz WQOBVFHIAGENPU-LLVKDONJSA-N 1 2 239.344 1.354 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH+]c[nH]2)CCCS1 ZINC000901036197 584376421 /nfs/dbraw/zinc/37/64/21/584376421.db2.gz WQOBVFHIAGENPU-LLVKDONJSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCC(F)(F)C1 ZINC000901121186 584387059 /nfs/dbraw/zinc/38/70/59/584387059.db2.gz MWAVBDZQXAZQQU-QMMMGPOBSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCCC(F)(F)C1 ZINC000901121186 584387061 /nfs/dbraw/zinc/38/70/61/584387061.db2.gz MWAVBDZQXAZQQU-QMMMGPOBSA-N 1 2 243.257 1.646 20 0 BDADLO CN(CCC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901158524 584388822 /nfs/dbraw/zinc/38/88/22/584388822.db2.gz HGNNSCPPKUDFJO-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CC1=CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000901202511 584398990 /nfs/dbraw/zinc/39/89/90/584398990.db2.gz GBCOVMQRRHGMAF-UHFFFAOYSA-N 1 2 231.299 1.672 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000901308259 584420339 /nfs/dbraw/zinc/42/03/39/584420339.db2.gz ZOCLISMMFJFXHF-MWLCHTKSSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@@H]1CCOCCN1C(=O)CNc1cccc[nH+]1 ZINC000901328904 584423867 /nfs/dbraw/zinc/42/38/67/584423867.db2.gz IZQZPKYDXACUQE-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO Cc1cc(N)nc(SCC(=O)[C@H]2C[C@@H]2C)[nH+]1 ZINC000901415202 584441410 /nfs/dbraw/zinc/44/14/10/584441410.db2.gz GAQALRALCIGKLG-XPUUQOCRSA-N 1 2 237.328 1.684 20 0 BDADLO Cc1cc(C)[nH+]c(Cn2nnnc2C(C)C)c1 ZINC000901474756 584448367 /nfs/dbraw/zinc/44/83/67/584448367.db2.gz LTKWPVKMVJZZNR-UHFFFAOYSA-N 1 2 231.303 1.857 20 0 BDADLO C[C@H](C[N@H+](C)Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000901599569 584468146 /nfs/dbraw/zinc/46/81/46/584468146.db2.gz WRSXENDAKKLHFL-SNVBAGLBSA-N 1 2 247.298 1.487 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000901599569 584468147 /nfs/dbraw/zinc/46/81/47/584468147.db2.gz WRSXENDAKKLHFL-SNVBAGLBSA-N 1 2 247.298 1.487 20 0 BDADLO c1cn(CCSCCO[C@@H]2CCOC2)c[nH+]1 ZINC000901839166 584499987 /nfs/dbraw/zinc/49/99/87/584499987.db2.gz ZAIQIVCPBLAUTG-LLVKDONJSA-N 1 2 242.344 1.422 20 0 BDADLO O=C1OCCN1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000902058565 584521355 /nfs/dbraw/zinc/52/13/55/584521355.db2.gz PPTHXKWTXOMXMY-GFCCVEGCSA-N 1 2 232.283 1.843 20 0 BDADLO O=C1OCCN1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000902058565 584521357 /nfs/dbraw/zinc/52/13/57/584521357.db2.gz PPTHXKWTXOMXMY-GFCCVEGCSA-N 1 2 232.283 1.843 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cncc(CO)n1 ZINC000902101964 584522972 /nfs/dbraw/zinc/52/29/72/584522972.db2.gz CHOYBQAIGDOIRQ-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO CCC[N@H+](C)Cn1nnc(-c2cscn2)n1 ZINC000902089688 584524556 /nfs/dbraw/zinc/52/45/56/584524556.db2.gz FOEXGPHZCLETHS-UHFFFAOYSA-N 1 2 238.320 1.096 20 0 BDADLO CCC[N@@H+](C)Cn1nnc(-c2cscn2)n1 ZINC000902089688 584524557 /nfs/dbraw/zinc/52/45/57/584524557.db2.gz FOEXGPHZCLETHS-UHFFFAOYSA-N 1 2 238.320 1.096 20 0 BDADLO O=C1OCCN1C[NH+]1CCC(F)(F)CC1 ZINC000902244589 584546254 /nfs/dbraw/zinc/54/62/54/584546254.db2.gz IRSQUYQGPRHDPW-UHFFFAOYSA-N 1 2 220.219 1.127 20 0 BDADLO CCN(C)c1ccc(CNc2cncnc2)c[nH+]1 ZINC000902155812 584531957 /nfs/dbraw/zinc/53/19/57/584531957.db2.gz BIVTWIIURWTPCM-UHFFFAOYSA-N 1 2 243.314 1.940 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCOC2=O)C[C@H]1F ZINC000902213009 584535730 /nfs/dbraw/zinc/53/57/30/584535730.db2.gz KUWHNMSPMZBZLL-DTWKUNHWSA-N 1 2 216.256 1.076 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCOC2=O)C[C@H]1F ZINC000902213009 584535731 /nfs/dbraw/zinc/53/57/31/584535731.db2.gz KUWHNMSPMZBZLL-DTWKUNHWSA-N 1 2 216.256 1.076 20 0 BDADLO OCc1cnc(NCc2[nH+]ccn2C2CC2)cn1 ZINC000902216250 584539000 /nfs/dbraw/zinc/53/90/00/584539000.db2.gz JCACVNCDDJLHJH-UHFFFAOYSA-N 1 2 245.286 1.112 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cnc(CO)cn1 ZINC000902217183 584539337 /nfs/dbraw/zinc/53/93/37/584539337.db2.gz QKZRBURDDWFQRQ-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cc(C)nnc1C ZINC000902281918 584547159 /nfs/dbraw/zinc/54/71/59/584547159.db2.gz MLDFHSIVLYWSNT-SECBINFHSA-N 1 2 238.291 1.127 20 0 BDADLO Cc1nsc(C)c1CO[NH+]=C(N)CCO ZINC000902332102 584563139 /nfs/dbraw/zinc/56/31/39/584563139.db2.gz JSLJMNKLJYOEJD-UHFFFAOYSA-N 1 2 229.305 1.141 20 0 BDADLO CC(=O)NCCCCCOCc1[nH]cc[nH+]1 ZINC000902397525 584585604 /nfs/dbraw/zinc/58/56/04/584585604.db2.gz PTHIWFSCZDNLNA-UHFFFAOYSA-N 1 2 225.292 1.233 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859068869 588996644 /nfs/dbraw/zinc/99/66/44/588996644.db2.gz UNOHWNPGWJSTGA-JTQLQIEISA-N 1 2 237.278 1.061 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(F)c1 ZINC000859068869 588996645 /nfs/dbraw/zinc/99/66/45/588996645.db2.gz UNOHWNPGWJSTGA-JTQLQIEISA-N 1 2 237.278 1.061 20 0 BDADLO CCn1c[nH+]c(CNc2cnn(C)c2C)c1 ZINC000902455139 584609549 /nfs/dbraw/zinc/60/95/49/584609549.db2.gz JKJMZNSPMCPLGB-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO C[C@H]([NH2+]Cc1csc(N)n1)c1ccn(C)n1 ZINC000902497711 584619186 /nfs/dbraw/zinc/61/91/86/584619186.db2.gz BQSHQCOXFOJDHX-ZETCQYMHSA-N 1 2 237.332 1.310 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)OCCF ZINC000859093837 589000606 /nfs/dbraw/zinc/00/06/06/589000606.db2.gz WVXJDJOYKSTUQO-UHFFFAOYSA-N 1 2 243.282 1.735 20 0 BDADLO c1cn(CCSCc2nncs2)c[nH+]1 ZINC000902557377 584634730 /nfs/dbraw/zinc/63/47/30/584634730.db2.gz YIBOZWOXRUQUCB-UHFFFAOYSA-N 1 2 226.330 1.668 20 0 BDADLO CCn1c[nH+]c(CNC(CF)CF)c1 ZINC000902577982 584637759 /nfs/dbraw/zinc/63/77/59/584637759.db2.gz KLIRYYABJWQTSI-UHFFFAOYSA-N 1 2 203.236 1.300 20 0 BDADLO NC(Cc1ccccc1F)=[NH+]O[C@H]1CCOC1 ZINC000902623340 584645278 /nfs/dbraw/zinc/64/52/78/584645278.db2.gz PQVZIGMPEUGZKP-JTQLQIEISA-N 1 2 238.262 1.656 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000902631384 584646817 /nfs/dbraw/zinc/64/68/17/584646817.db2.gz GZIUVLRMVOHGOE-NSHDSACASA-N 1 2 249.339 1.636 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000902631384 584646820 /nfs/dbraw/zinc/64/68/20/584646820.db2.gz GZIUVLRMVOHGOE-NSHDSACASA-N 1 2 249.339 1.636 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)CN1CCSC1=O ZINC000902640015 584649200 /nfs/dbraw/zinc/64/92/00/584649200.db2.gz SVFYOMXQWXJVBI-IUCAKERBSA-N 1 2 230.333 1.222 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)CN1CCSC1=O ZINC000902640015 584649202 /nfs/dbraw/zinc/64/92/02/584649202.db2.gz SVFYOMXQWXJVBI-IUCAKERBSA-N 1 2 230.333 1.222 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1cccnc1=S ZINC000902640254 584649348 /nfs/dbraw/zinc/64/93/48/584649348.db2.gz WPYQBHWWKIMWFU-UWVGGRQHSA-N 1 2 239.344 1.679 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1cccnc1=S ZINC000902640254 584649349 /nfs/dbraw/zinc/64/93/49/584649349.db2.gz WPYQBHWWKIMWFU-UWVGGRQHSA-N 1 2 239.344 1.679 20 0 BDADLO CCn1c[nH+]c(CNc2nncn2CC)c1 ZINC000902658168 584650456 /nfs/dbraw/zinc/65/04/56/584650456.db2.gz PLYBFBIPIGOCNK-UHFFFAOYSA-N 1 2 220.280 1.127 20 0 BDADLO CCn1c[nH+]c(CNc2n[nH]c(C)c2C)c1 ZINC000902644478 584650957 /nfs/dbraw/zinc/65/09/57/584650957.db2.gz NNZIOCJCHCPTPM-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000902738350 584662600 /nfs/dbraw/zinc/66/26/00/584662600.db2.gz IIPYKBKVZLIYBE-CYNRKNSPSA-N 1 2 228.292 1.257 20 0 BDADLO CC(=O)Nc1cnn(Cc2cc(C)cc(C)[nH+]2)c1 ZINC000902751410 584664708 /nfs/dbraw/zinc/66/47/08/584664708.db2.gz VCEIBLAYJZGFPQ-UHFFFAOYSA-N 1 2 244.298 1.902 20 0 BDADLO COc1cnn(Cc2cc(C)cc(C)[nH+]2)c1 ZINC000902765437 584666884 /nfs/dbraw/zinc/66/68/84/584666884.db2.gz VCIMVZPURQAXHN-UHFFFAOYSA-N 1 2 217.272 1.952 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2cn(C)nn2)on1 ZINC000902814710 584678212 /nfs/dbraw/zinc/67/82/12/584678212.db2.gz FXPSDJLNHPOUTF-MRVPVSSYSA-N 1 2 235.291 1.216 20 0 BDADLO CCCOC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000859077018 588998250 /nfs/dbraw/zinc/99/82/50/588998250.db2.gz LSYJVAJZNDFSGN-NSHDSACASA-N 1 2 249.314 1.797 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859118695 589004513 /nfs/dbraw/zinc/00/45/13/589004513.db2.gz QJVJZZJTPHCQAA-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859118695 589004515 /nfs/dbraw/zinc/00/45/15/589004515.db2.gz QJVJZZJTPHCQAA-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003152 584716175 /nfs/dbraw/zinc/71/61/75/584716175.db2.gz KLIRQYXYGCUOMY-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003152 584716176 /nfs/dbraw/zinc/71/61/76/584716176.db2.gz KLIRQYXYGCUOMY-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO CCCc1ncc(C[NH2+][C@@H](C)c2cn(C)nn2)o1 ZINC000903011474 584717625 /nfs/dbraw/zinc/71/76/25/584717625.db2.gz FTJDWIHPZSOLFJ-VIFPVBQESA-N 1 2 249.318 1.606 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)c2cn(C)nn2)c1 ZINC000903042785 584720566 /nfs/dbraw/zinc/72/05/66/584720566.db2.gz IBRIBRKRQPQYBF-VIFPVBQESA-N 1 2 247.302 1.530 20 0 BDADLO Cn1nc(C[N@H+](C)[C@H]2CCOC2)cc1Cl ZINC000859130344 589006819 /nfs/dbraw/zinc/00/68/19/589006819.db2.gz FTHPRTGUQSQMGZ-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO Cn1nc(C[N@@H+](C)[C@H]2CCOC2)cc1Cl ZINC000859130344 589006820 /nfs/dbraw/zinc/00/68/20/589006820.db2.gz FTHPRTGUQSQMGZ-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cnn(C)n1 ZINC000903310736 584748203 /nfs/dbraw/zinc/74/82/03/584748203.db2.gz KXMGXQAMTSYPQP-SFYZADRCSA-N 1 2 237.332 1.683 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)c2ncnn21 ZINC000903443929 584768672 /nfs/dbraw/zinc/76/86/72/584768672.db2.gz LWMNOJRDQGCBQM-ZCMHJKFASA-N 1 2 212.684 1.626 20 0 BDADLO C1=CCN(C[C@@H]2CCC3(CCOCC3)O2)[NH2+]C1 ZINC000903491016 584780724 /nfs/dbraw/zinc/78/07/24/584780724.db2.gz QYYXRUKZKZWOOF-LBPRGKRZSA-N 1 2 238.331 1.091 20 0 BDADLO CO[C@@H](CN1CC=CC[NH2+]1)C1CCCC1 ZINC000903490762 584780908 /nfs/dbraw/zinc/78/09/08/584780908.db2.gz GUWJCFCGARQYHD-LBPRGKRZSA-N 1 2 210.321 1.568 20 0 BDADLO CO[C@H](CN1CC=CC[NH2+]1)C1CCCCC1 ZINC000903491114 584781082 /nfs/dbraw/zinc/78/10/82/584781082.db2.gz VYAKUJRGKXCTKG-CYBMUJFWSA-N 1 2 224.348 1.958 20 0 BDADLO CCC(CC)([NH2+]Cc1c[nH+]c(C)n1C)C(=O)[O-] ZINC000904010577 584837459 /nfs/dbraw/zinc/83/74/59/584837459.db2.gz YNVBNJZTRSIHIT-UHFFFAOYSA-N 1 2 239.319 1.462 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccc(CC)cn2)n1 ZINC000904074884 584839840 /nfs/dbraw/zinc/83/98/40/584839840.db2.gz CRWXMYPXRGKEFN-UHFFFAOYSA-N 1 2 246.314 1.727 20 0 BDADLO CC1=NO[C@](C)(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000904102453 584841219 /nfs/dbraw/zinc/84/12/19/584841219.db2.gz QQFDQWKDBTYJCN-ZDUSSCGKSA-N 1 2 247.298 1.614 20 0 BDADLO CC1=NO[C@@](C)(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000904102452 584841292 /nfs/dbraw/zinc/84/12/92/584841292.db2.gz QQFDQWKDBTYJCN-CYBMUJFWSA-N 1 2 247.298 1.614 20 0 BDADLO Cc1c[nH]cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241794 584882890 /nfs/dbraw/zinc/88/28/90/584882890.db2.gz AQHZZKKULWDSGT-SNVBAGLBSA-N 1 2 240.278 1.524 20 0 BDADLO Cc1c[nH]cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241794 584882892 /nfs/dbraw/zinc/88/28/92/584882892.db2.gz AQHZZKKULWDSGT-SNVBAGLBSA-N 1 2 240.278 1.524 20 0 BDADLO CC[C@H](C)C(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803496417 584888618 /nfs/dbraw/zinc/88/86/18/584888618.db2.gz CURMSHQSEFIFSB-CMPLNLGQSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000730379556 584910240 /nfs/dbraw/zinc/91/02/40/584910240.db2.gz SKWSTMHBBKQOHU-BQBZGAKWSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000730379556 584910241 /nfs/dbraw/zinc/91/02/41/584910241.db2.gz SKWSTMHBBKQOHU-BQBZGAKWSA-N 1 2 237.130 1.001 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCS[C@@H](C)C2)c[nH+]1 ZINC000834669750 584914529 /nfs/dbraw/zinc/91/45/29/584914529.db2.gz CHOPDQVJDNLWOD-IONNQARKSA-N 1 2 239.344 1.732 20 0 BDADLO CCOCC[N@H+](CC)CN1CCSC1=O ZINC000730802083 584916407 /nfs/dbraw/zinc/91/64/07/584916407.db2.gz FTQIULGNTQONRS-UHFFFAOYSA-N 1 2 232.349 1.471 20 0 BDADLO CCOCC[N@@H+](CC)CN1CCSC1=O ZINC000730802083 584916408 /nfs/dbraw/zinc/91/64/08/584916408.db2.gz FTQIULGNTQONRS-UHFFFAOYSA-N 1 2 232.349 1.471 20 0 BDADLO CC(C)c1ocnc1C(=O)NCc1[nH+]ccn1C ZINC000732072833 584933662 /nfs/dbraw/zinc/93/36/62/584933662.db2.gz QJSOVCQSWCNRKF-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO C/C(=C/C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000732094980 584933704 /nfs/dbraw/zinc/93/37/04/584933704.db2.gz WRULDCTXPOTZDR-CLFYSBASSA-N 1 2 219.288 1.724 20 0 BDADLO CCC/C=C/C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732093294 584933876 /nfs/dbraw/zinc/93/38/76/584933876.db2.gz IUJMDPKCOIYHRO-AATRIKPKSA-N 1 2 207.277 1.724 20 0 BDADLO CNC(=O)C1([NH2+]Cc2cc(C)on2)CCCC1 ZINC000734000141 584956037 /nfs/dbraw/zinc/95/60/37/584956037.db2.gz YSHUJPNZTGYIIA-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO CCc1cc(N2C[C@H](O)C[C@H]2C)nc(C)[nH+]1 ZINC000350703835 584985560 /nfs/dbraw/zinc/98/55/60/584985560.db2.gz VRTODNYDYYQQMV-LDYMZIIASA-N 1 2 221.304 1.307 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1CCC1 ZINC000788078988 585010245 /nfs/dbraw/zinc/01/02/45/585010245.db2.gz AISOIDJNMJKMLA-SNVBAGLBSA-N 1 2 215.268 1.374 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1CCC1 ZINC000788078988 585010246 /nfs/dbraw/zinc/01/02/46/585010246.db2.gz AISOIDJNMJKMLA-SNVBAGLBSA-N 1 2 215.268 1.374 20 0 BDADLO CCn1nc(C)cc1C(=O)OCCn1cc[nH+]c1 ZINC000771944306 585011714 /nfs/dbraw/zinc/01/17/14/585011714.db2.gz VELHBYFNKFFYBW-UHFFFAOYSA-N 1 2 248.286 1.265 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000840779550 585014816 /nfs/dbraw/zinc/01/48/16/585014816.db2.gz DFCBWQZWJDPDJQ-NHCYSSNCSA-N 1 2 243.347 1.731 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000840779549 585014830 /nfs/dbraw/zinc/01/48/30/585014830.db2.gz DFCBWQZWJDPDJQ-JFGNBEQYSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099811 585022955 /nfs/dbraw/zinc/02/29/55/585022955.db2.gz KOFIARUWNQZYIB-KLHWPWHYSA-N 1 2 233.315 1.328 20 0 BDADLO C/C=C(/C=C\C(=O)NCc1cn(C)c[nH+]1)CC ZINC000890109740 585023829 /nfs/dbraw/zinc/02/38/29/585023829.db2.gz FVBKPABYWBOCNL-BJNIYONUSA-N 1 2 233.315 1.949 20 0 BDADLO CCc1noc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000774541223 585032098 /nfs/dbraw/zinc/03/20/98/585032098.db2.gz ALWBXMGAASENLZ-VIFPVBQESA-N 1 2 247.302 1.692 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CCC=CO1 ZINC000775054532 585037055 /nfs/dbraw/zinc/03/70/55/585037055.db2.gz ODOOOMYHONULLC-LBPRGKRZSA-N 1 2 236.319 1.330 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H]1CCC=CO1 ZINC000775054532 585037056 /nfs/dbraw/zinc/03/70/56/585037056.db2.gz ODOOOMYHONULLC-LBPRGKRZSA-N 1 2 236.319 1.330 20 0 BDADLO CC(C)[NH2+][C@H]1CCC[N@H+](CCCCC(=O)[O-])C1 ZINC000737641832 585037726 /nfs/dbraw/zinc/03/77/26/585037726.db2.gz XGCPIPBNGWNUNP-LBPRGKRZSA-N 1 2 242.363 1.704 20 0 BDADLO CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000737641832 585037727 /nfs/dbraw/zinc/03/77/27/585037727.db2.gz XGCPIPBNGWNUNP-LBPRGKRZSA-N 1 2 242.363 1.704 20 0 BDADLO C[C@H](C(=O)OCc1c[nH+]cn1C)C1CCC1 ZINC000838810468 585070994 /nfs/dbraw/zinc/07/09/94/585070994.db2.gz MVOOYJMACSEGIM-VIFPVBQESA-N 1 2 222.288 1.900 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)C1=COCC1 ZINC000838951953 585080727 /nfs/dbraw/zinc/08/07/27/585080727.db2.gz CREAEMODAKZORT-UHFFFAOYSA-N 1 2 248.282 1.495 20 0 BDADLO CCn1ncc(CNc2ccc(OC)c[nH+]2)n1 ZINC000838980912 585083922 /nfs/dbraw/zinc/08/39/22/585083922.db2.gz XNBXWIDBFVYXKO-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)n1 ZINC000839032107 585088563 /nfs/dbraw/zinc/08/85/63/585088563.db2.gz YSLGCFTZHABBLG-CMPLNLGQSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)n1 ZINC000839032107 585088564 /nfs/dbraw/zinc/08/85/64/585088564.db2.gz YSLGCFTZHABBLG-CMPLNLGQSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)n1 ZINC000839107327 585091410 /nfs/dbraw/zinc/09/14/10/585091410.db2.gz GSGUTIGVFBCSAN-GFCCVEGCSA-N 1 2 234.347 1.918 20 0 BDADLO CCn1ncc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)n1 ZINC000839107327 585091411 /nfs/dbraw/zinc/09/14/11/585091411.db2.gz GSGUTIGVFBCSAN-GFCCVEGCSA-N 1 2 234.347 1.918 20 0 BDADLO COCCCOC1C[NH+](Cc2ccoc2)C1 ZINC000839133597 585094206 /nfs/dbraw/zinc/09/42/06/585094206.db2.gz RNRDINJOYLXJMT-UHFFFAOYSA-N 1 2 225.288 1.517 20 0 BDADLO CCC1(O)CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000742172029 585122474 /nfs/dbraw/zinc/12/24/74/585122474.db2.gz SWJXCILXGHLJCC-UHFFFAOYSA-N 1 2 243.738 1.731 20 0 BDADLO CCC[N@H+](C)Cn1ncn(CC)c1=S ZINC000746075012 585162908 /nfs/dbraw/zinc/16/29/08/585162908.db2.gz XOBQURSLFUKACV-UHFFFAOYSA-N 1 2 214.338 1.733 20 0 BDADLO CCC[N@@H+](C)Cn1ncn(CC)c1=S ZINC000746075012 585162909 /nfs/dbraw/zinc/16/29/09/585162909.db2.gz XOBQURSLFUKACV-UHFFFAOYSA-N 1 2 214.338 1.733 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)Cn1cc[nH+]c1 ZINC000746122653 585163521 /nfs/dbraw/zinc/16/35/21/585163521.db2.gz VCTAJBHJRKSFEV-JTQLQIEISA-N 1 2 233.271 1.224 20 0 BDADLO O=C(C=C1CCCC1)NCCc1[nH]cc[nH+]1 ZINC000746244722 585166304 /nfs/dbraw/zinc/16/63/04/585166304.db2.gz ZWEWWDBUUUHQGI-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO O=C(C=C1CCCCC1)NCCc1[nH]cc[nH+]1 ZINC000746242993 585166321 /nfs/dbraw/zinc/16/63/21/585166321.db2.gz PSJYYMTVTBZVSZ-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO CN(CCO)c1ccc(NCc2ccoc2)[nH+]c1 ZINC000746475074 585168524 /nfs/dbraw/zinc/16/85/24/585168524.db2.gz JEJLLDFTTLZCEM-UHFFFAOYSA-N 1 2 247.298 1.715 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2ccsc2=O)C[C@H](C)S1 ZINC000746614549 585170860 /nfs/dbraw/zinc/17/08/60/585170860.db2.gz MAYRJIUAEWRGAE-DTORHVGOSA-N 1 2 244.385 1.693 20 0 BDADLO C[C@@H]1C[N@H+](Cn2ccsc2=O)C[C@H](C)S1 ZINC000746614549 585170861 /nfs/dbraw/zinc/17/08/61/585170861.db2.gz MAYRJIUAEWRGAE-DTORHVGOSA-N 1 2 244.385 1.693 20 0 BDADLO O=c1sccn1C[NH+]1C2CCC1CC2 ZINC000746604568 585171034 /nfs/dbraw/zinc/17/10/34/585171034.db2.gz HPZDEIVNMXTWJH-UHFFFAOYSA-N 1 2 210.302 1.494 20 0 BDADLO C[C@H]1SCC[N@H+](Cn2ccsc2=O)[C@@H]1C ZINC000746618273 585171046 /nfs/dbraw/zinc/17/10/46/585171046.db2.gz GDGNIXKJKCGYRY-RKDXNWHRSA-N 1 2 244.385 1.693 20 0 BDADLO C[C@H]1SCC[N@@H+](Cn2ccsc2=O)[C@@H]1C ZINC000746618273 585171047 /nfs/dbraw/zinc/17/10/47/585171047.db2.gz GDGNIXKJKCGYRY-RKDXNWHRSA-N 1 2 244.385 1.693 20 0 BDADLO CC1(C)C[N@H+](Cn2ccsc2=O)CCS1 ZINC000746617037 585171142 /nfs/dbraw/zinc/17/11/42/585171142.db2.gz XLQYSIQJKJMFAQ-UHFFFAOYSA-N 1 2 244.385 1.695 20 0 BDADLO CC1(C)C[N@@H+](Cn2ccsc2=O)CCS1 ZINC000746617037 585171143 /nfs/dbraw/zinc/17/11/43/585171143.db2.gz XLQYSIQJKJMFAQ-UHFFFAOYSA-N 1 2 244.385 1.695 20 0 BDADLO OCC[C@H](N[C@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000886803441 585177851 /nfs/dbraw/zinc/17/78/51/585177851.db2.gz JINNPMCHIVMKMT-YUMQZZPRSA-N 1 2 249.236 1.231 20 0 BDADLO CC1(C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000747399824 585178576 /nfs/dbraw/zinc/17/85/76/585178576.db2.gz JSHJPDKTTNLMSW-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO CO[C@@H](C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747400732 585178600 /nfs/dbraw/zinc/17/86/00/585178600.db2.gz MDGNPEYVXHPJRA-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO CCC/C=C/C(=O)OCC[NH+]1CCOCC1 ZINC000747692813 585182429 /nfs/dbraw/zinc/18/24/29/585182429.db2.gz WVHOSTRKMWPSMT-SNAWJCMRSA-N 1 2 227.304 1.218 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC[C@@H]1CCCO1 ZINC000747782204 585184237 /nfs/dbraw/zinc/18/42/37/585184237.db2.gz FOUKEKCAYYONDX-NSHDSACASA-N 1 2 238.287 1.423 20 0 BDADLO Cc1ncc(C(=O)OCc2c[nH+]cn2C)s1 ZINC000747782272 585184361 /nfs/dbraw/zinc/18/43/61/585184361.db2.gz HDCBXQULYPRMOU-UHFFFAOYSA-N 1 2 237.284 1.542 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000748100538 585186891 /nfs/dbraw/zinc/18/68/91/585186891.db2.gz RRXDVIWPWWQURW-NXEZZACHSA-N 1 2 232.324 1.581 20 0 BDADLO COc1cc[nH+]cc1NC(=S)NC1CC1 ZINC000748156075 585188367 /nfs/dbraw/zinc/18/83/67/585188367.db2.gz CPVPUJBMOVJUOI-UHFFFAOYSA-N 1 2 223.301 1.539 20 0 BDADLO Cc1cnc(CNC(=O)CCCn2cc[nH+]c2)o1 ZINC000748379591 585192008 /nfs/dbraw/zinc/19/20/08/585192008.db2.gz UCDZJCKYXSUVLS-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO CC(C)(O)CCO[NH+]=C(N)c1ccccc1 ZINC000749986895 585209032 /nfs/dbraw/zinc/20/90/32/585209032.db2.gz LDKLMGYJZZQOOH-UHFFFAOYSA-N 1 2 222.288 1.694 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750746303 585219076 /nfs/dbraw/zinc/21/90/76/585219076.db2.gz IMWWWNKHCHPPHN-QJGQKNTRSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750746303 585219077 /nfs/dbraw/zinc/21/90/77/585219077.db2.gz IMWWWNKHCHPPHN-QJGQKNTRSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/C)C(=O)NCCCCn1cc[nH+]c1 ZINC000751383269 585228994 /nfs/dbraw/zinc/22/89/94/585228994.db2.gz RHPUFJGJACVYJE-JYOAFUTRSA-N 1 2 221.304 1.746 20 0 BDADLO CSC=CC(=O)Nc1cc[nH+]c(C)c1 ZINC000751581976 585233958 /nfs/dbraw/zinc/23/39/58/585233958.db2.gz NOCJPKSGLMNHCU-XQRVVYSFSA-N 1 2 208.286 1.627 20 0 BDADLO CON(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000753435748 585258918 /nfs/dbraw/zinc/25/89/18/585258918.db2.gz AQXAUOSUABEQSC-UHFFFAOYSA-N 1 2 249.314 1.205 20 0 BDADLO CN(C)c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000754049106 585276452 /nfs/dbraw/zinc/27/64/52/585276452.db2.gz HHXSNMWDAPCHEB-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000754049106 585276453 /nfs/dbraw/zinc/27/64/53/585276453.db2.gz HHXSNMWDAPCHEB-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)C1CCC1 ZINC000754106774 585278582 /nfs/dbraw/zinc/27/85/82/585278582.db2.gz SBRJTOJLTKVYBD-LLVKDONJSA-N 1 2 239.315 1.383 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)C1CCC1 ZINC000754106774 585278583 /nfs/dbraw/zinc/27/85/83/585278583.db2.gz SBRJTOJLTKVYBD-LLVKDONJSA-N 1 2 239.315 1.383 20 0 BDADLO O=C(C=Cc1cncc(F)c1)NCc1c[nH+]c[nH]1 ZINC000754295745 585282354 /nfs/dbraw/zinc/28/23/54/585282354.db2.gz AJHQSORHISYZRL-UPHRSURJSA-N 1 2 246.245 1.273 20 0 BDADLO O=C(C=Cc1cncc(F)c1)NCc1c[nH]c[nH+]1 ZINC000754295745 585282355 /nfs/dbraw/zinc/28/23/55/585282355.db2.gz AJHQSORHISYZRL-UPHRSURJSA-N 1 2 246.245 1.273 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000754385412 585283874 /nfs/dbraw/zinc/28/38/74/585283874.db2.gz MAGACSMYLIMTCU-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000754385412 585283875 /nfs/dbraw/zinc/28/38/75/585283875.db2.gz MAGACSMYLIMTCU-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO OCC[C@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000754489727 585285329 /nfs/dbraw/zinc/28/53/29/585285329.db2.gz WQQCYDNMUQBLSH-LBPRGKRZSA-N 1 2 243.310 1.625 20 0 BDADLO CCN(CCO)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000754668905 585289205 /nfs/dbraw/zinc/28/92/05/585289205.db2.gz DPAPYMIDQSXNAN-UHFFFAOYSA-N 1 2 240.694 1.382 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC[C@@H]1CCOC1 ZINC000754685369 585289576 /nfs/dbraw/zinc/28/95/76/585289576.db2.gz UHHZYGMNOBAQKG-SNVBAGLBSA-N 1 2 238.287 1.280 20 0 BDADLO O=Cc1cc(C(=O)NCCn2cc[nH+]c2)cs1 ZINC000754983128 585292830 /nfs/dbraw/zinc/29/28/30/585292830.db2.gz YEQVMXNCHCAQBI-UHFFFAOYSA-N 1 2 249.295 1.187 20 0 BDADLO C[N@H+](Cn1ccsc1=O)[C@@H]1CCSC1 ZINC000755799603 585307372 /nfs/dbraw/zinc/30/73/72/585307372.db2.gz YQXGGVOWGNPQNK-MRVPVSSYSA-N 1 2 230.358 1.305 20 0 BDADLO C[N@@H+](Cn1ccsc1=O)[C@@H]1CCSC1 ZINC000755799603 585307373 /nfs/dbraw/zinc/30/73/73/585307373.db2.gz YQXGGVOWGNPQNK-MRVPVSSYSA-N 1 2 230.358 1.305 20 0 BDADLO CC1=C(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCO1 ZINC000755880737 585308980 /nfs/dbraw/zinc/30/89/80/585308980.db2.gz FGXBDHVFCMNCDC-UHFFFAOYSA-N 1 2 235.287 1.453 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859219530 589020830 /nfs/dbraw/zinc/02/08/30/589020830.db2.gz APPGHZOUMHGQJK-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1ccnc(F)c1 ZINC000859219530 589020831 /nfs/dbraw/zinc/02/08/31/589020831.db2.gz APPGHZOUMHGQJK-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO Cc1nonc1C[N@H+](C)CCOCC1CC1 ZINC000756047545 585313487 /nfs/dbraw/zinc/31/34/87/585313487.db2.gz IQDYNSLWTFGYEQ-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1nonc1C[N@@H+](C)CCOCC1CC1 ZINC000756047545 585313488 /nfs/dbraw/zinc/31/34/88/585313488.db2.gz IQDYNSLWTFGYEQ-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1ccccc1OCC[NH2+][C@@]1(C)CCOC1=O ZINC000839606883 585331861 /nfs/dbraw/zinc/33/18/61/585331861.db2.gz USBVMHNBJMPPQT-AWEZNQCLSA-N 1 2 249.310 1.669 20 0 BDADLO Cc1cnc(=S)n(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC000758322310 585353593 /nfs/dbraw/zinc/35/35/93/585353593.db2.gz HDBUDKDSAHDDBR-JTQLQIEISA-N 1 2 239.344 1.599 20 0 BDADLO Cc1cnc(=S)n(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000758322310 585353594 /nfs/dbraw/zinc/35/35/94/585353594.db2.gz HDBUDKDSAHDDBR-JTQLQIEISA-N 1 2 239.344 1.599 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CC1(C)CC1 ZINC000758828382 585360491 /nfs/dbraw/zinc/36/04/91/585360491.db2.gz NVBCBANFILVWCZ-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO COC1(C)C[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000759051080 585364056 /nfs/dbraw/zinc/36/40/56/585364056.db2.gz ZVDMXDPCLJUIMM-LBPRGKRZSA-N 1 2 239.290 1.580 20 0 BDADLO CC(=O)Nc1cccc2c1CC[N@H+](CCF)C2 ZINC000759328403 585367516 /nfs/dbraw/zinc/36/75/16/585367516.db2.gz RMDSEEROKUILGW-UHFFFAOYSA-N 1 2 236.290 1.973 20 0 BDADLO CC(=O)Nc1cccc2c1CC[N@@H+](CCF)C2 ZINC000759328403 585367517 /nfs/dbraw/zinc/36/75/17/585367517.db2.gz RMDSEEROKUILGW-UHFFFAOYSA-N 1 2 236.290 1.973 20 0 BDADLO CCC[C@H]1C[N@H+](CCF)CCN1CCF ZINC000759718924 585379405 /nfs/dbraw/zinc/37/94/05/585379405.db2.gz QZGPMKDHEXEBHP-NSHDSACASA-N 1 2 220.307 1.712 20 0 BDADLO CCC[C@H]1C[N@@H+](CCF)CCN1CCF ZINC000759718924 585379406 /nfs/dbraw/zinc/37/94/06/585379406.db2.gz QZGPMKDHEXEBHP-NSHDSACASA-N 1 2 220.307 1.712 20 0 BDADLO c1nn(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761091835 585408380 /nfs/dbraw/zinc/40/83/80/585408380.db2.gz JURWLOIPMNRJIS-SMDDNHRTSA-N 1 2 240.310 1.862 20 0 BDADLO c1nn(-c2ccccc2)nc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761091835 585408381 /nfs/dbraw/zinc/40/83/81/585408381.db2.gz JURWLOIPMNRJIS-SMDDNHRTSA-N 1 2 240.310 1.862 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761102571 585409429 /nfs/dbraw/zinc/40/94/29/585409429.db2.gz ZQOWUYRKJMUJOQ-KXUCPTDWSA-N 1 2 237.303 1.761 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761102571 585409430 /nfs/dbraw/zinc/40/94/30/585409430.db2.gz ZQOWUYRKJMUJOQ-KXUCPTDWSA-N 1 2 237.303 1.761 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000761108285 585410006 /nfs/dbraw/zinc/41/00/06/585410006.db2.gz JZCBBQXFVOTIDP-SECBINFHSA-N 1 2 227.258 1.872 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000761108285 585410007 /nfs/dbraw/zinc/41/00/07/585410007.db2.gz JZCBBQXFVOTIDP-SECBINFHSA-N 1 2 227.258 1.872 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCc1ccccc1F ZINC000762211333 585429032 /nfs/dbraw/zinc/42/90/32/585429032.db2.gz XAOGUFDYPMBKCU-VIFPVBQESA-N 1 2 240.278 1.902 20 0 BDADLO CC(=O)CCCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000762889329 585439133 /nfs/dbraw/zinc/43/91/33/585439133.db2.gz HYUYIMQZZOSHQM-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CC(=O)CCCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000762889329 585439134 /nfs/dbraw/zinc/43/91/34/585439134.db2.gz HYUYIMQZZOSHQM-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCS1 ZINC000763119138 585443321 /nfs/dbraw/zinc/44/33/21/585443321.db2.gz QOFXPEFRXWLYQR-SECBINFHSA-N 1 2 226.301 1.322 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccoc1 ZINC000763111641 585443449 /nfs/dbraw/zinc/44/34/49/585443449.db2.gz DAMCCFYLJOACBU-UHFFFAOYSA-N 1 2 206.201 1.333 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccccn1 ZINC000763113576 585443453 /nfs/dbraw/zinc/44/34/53/585443453.db2.gz CVUYCWXHKXVYIW-UHFFFAOYSA-N 1 2 217.228 1.135 20 0 BDADLO CC[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000763287974 585445829 /nfs/dbraw/zinc/44/58/29/585445829.db2.gz QVIRUZRRKCRUTQ-SNVBAGLBSA-N 1 2 210.277 1.863 20 0 BDADLO Cc1ccc(Cl)c(N2CC[NH+](C)CC2)n1 ZINC000764995076 585478488 /nfs/dbraw/zinc/47/84/88/585478488.db2.gz PJBZGLWVEGHBHS-UHFFFAOYSA-N 1 2 225.723 1.795 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2ccon2)c(C)n1 ZINC000766420327 585502082 /nfs/dbraw/zinc/50/20/82/585502082.db2.gz PBPVRPMSUBKIJM-QMMMGPOBSA-N 1 2 232.287 1.932 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCC(=O)C1CC1 ZINC000767350541 585517212 /nfs/dbraw/zinc/51/72/12/585517212.db2.gz KWODUZLLIMKKCN-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCC(=O)C1CC1 ZINC000767350541 585517213 /nfs/dbraw/zinc/51/72/13/585517213.db2.gz KWODUZLLIMKKCN-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO O=C(CC1CC1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767480816 585520957 /nfs/dbraw/zinc/52/09/57/585520957.db2.gz HEXJDQQWEFIADH-TXEJJXNPSA-N 1 2 239.315 1.193 20 0 BDADLO O=C(CC1CC1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767480816 585520958 /nfs/dbraw/zinc/52/09/58/585520958.db2.gz HEXJDQQWEFIADH-TXEJJXNPSA-N 1 2 239.315 1.193 20 0 BDADLO CN(C)c1cc(COC(=O)c2cc[nH]c2)cc[nH+]1 ZINC000767564522 585522534 /nfs/dbraw/zinc/52/25/34/585522534.db2.gz WGTDCMUTQYIXOD-UHFFFAOYSA-N 1 2 245.282 1.833 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCC(=O)C1CC1 ZINC000767761947 585525760 /nfs/dbraw/zinc/52/57/60/585525760.db2.gz TXRWIAJJHWLNRH-LLVKDONJSA-N 1 2 248.330 1.321 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1CCC(=O)C1CC1 ZINC000767761947 585525761 /nfs/dbraw/zinc/52/57/61/585525761.db2.gz TXRWIAJJHWLNRH-LLVKDONJSA-N 1 2 248.330 1.321 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CC(OCC)OCC ZINC000767802525 585526244 /nfs/dbraw/zinc/52/62/44/585526244.db2.gz VHWYHECFALJVMC-JTQLQIEISA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CC(OCC)OCC ZINC000767802525 585526245 /nfs/dbraw/zinc/52/62/45/585526245.db2.gz VHWYHECFALJVMC-JTQLQIEISA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(=O)C[N@H+](CCC(C)=O)C1CCC1 ZINC000767875891 585527349 /nfs/dbraw/zinc/52/73/49/585527349.db2.gz NPYBCVFGKHVSHZ-UHFFFAOYSA-N 1 2 227.304 1.383 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(C)=O)C1CCC1 ZINC000767875891 585527350 /nfs/dbraw/zinc/52/73/50/585527350.db2.gz NPYBCVFGKHVSHZ-UHFFFAOYSA-N 1 2 227.304 1.383 20 0 BDADLO CCc1ncc(C[N@H+](CC)CC(=O)NC)s1 ZINC000768302702 585535467 /nfs/dbraw/zinc/53/54/67/585535467.db2.gz PIDKAPKIIGUCNN-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO CCc1ncc(C[N@@H+](CC)CC(=O)NC)s1 ZINC000768302702 585535468 /nfs/dbraw/zinc/53/54/68/585535468.db2.gz PIDKAPKIIGUCNN-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cncc2ccccc21 ZINC000768400262 585537985 /nfs/dbraw/zinc/53/79/85/585537985.db2.gz IKMLJOCXKCYYFO-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cncc2ccccc21 ZINC000768400262 585537986 /nfs/dbraw/zinc/53/79/86/585537986.db2.gz IKMLJOCXKCYYFO-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO CS/C=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000768930429 585546025 /nfs/dbraw/zinc/54/60/25/585546025.db2.gz SVBGKECPVSUBJL-RUDMXATFSA-N 1 2 239.344 1.608 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1=COCC1 ZINC000768930512 585546298 /nfs/dbraw/zinc/54/62/98/585546298.db2.gz VEXHSBQDFRYNFO-UHFFFAOYSA-N 1 2 235.287 1.036 20 0 BDADLO C[C@@H]1COCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000769266496 585552028 /nfs/dbraw/zinc/55/20/28/585552028.db2.gz KUUWRBDDBPHTLH-GHMZBOCLSA-N 1 2 238.287 1.099 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccoc2)[C@@H](C)C1 ZINC000769448493 585556651 /nfs/dbraw/zinc/55/66/51/585556651.db2.gz SPOBHFNDWCXQRM-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccoc2)[C@@H](C)C1 ZINC000769448493 585556652 /nfs/dbraw/zinc/55/66/52/585556652.db2.gz SPOBHFNDWCXQRM-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccccc2F)[nH]1 ZINC000769474186 585557845 /nfs/dbraw/zinc/55/78/45/585557845.db2.gz NWLRRHBUDCNXGN-UHFFFAOYSA-N 1 2 248.305 1.927 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccccc2F)[nH]1 ZINC000769474186 585557846 /nfs/dbraw/zinc/55/78/46/585557846.db2.gz NWLRRHBUDCNXGN-UHFFFAOYSA-N 1 2 248.305 1.927 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](F)c1ccccc1 ZINC000769575726 585559725 /nfs/dbraw/zinc/55/97/25/585559725.db2.gz QWCXWQJHXFEDAH-GFCCVEGCSA-N 1 2 247.273 1.779 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](F)c1ccccc1 ZINC000769575727 585559895 /nfs/dbraw/zinc/55/98/95/585559895.db2.gz QWCXWQJHXFEDAH-LBPRGKRZSA-N 1 2 247.273 1.779 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1-c1ccccc1 ZINC000769771003 585563168 /nfs/dbraw/zinc/56/31/68/585563168.db2.gz QMDQXGNKNLMEAG-YPMHNXCESA-N 1 2 240.310 1.862 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1-c1ccccc1 ZINC000769771003 585563169 /nfs/dbraw/zinc/56/31/69/585563169.db2.gz QMDQXGNKNLMEAG-YPMHNXCESA-N 1 2 240.310 1.862 20 0 BDADLO Cn1cc(NC(=O)c2cccc3[nH+]ccn32)cn1 ZINC000770400633 585573592 /nfs/dbraw/zinc/57/35/92/585573592.db2.gz HCKHYPYNIKRONX-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)n[nH]1 ZINC000770656029 585578979 /nfs/dbraw/zinc/57/89/79/585578979.db2.gz IZTZPWDBCRXMGB-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1cnns1 ZINC000859237553 589023565 /nfs/dbraw/zinc/02/35/65/589023565.db2.gz VUJAYVDMWQTASW-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1cnns1 ZINC000859237553 589023567 /nfs/dbraw/zinc/02/35/67/589023567.db2.gz VUJAYVDMWQTASW-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000771403631 585593923 /nfs/dbraw/zinc/59/39/23/585593923.db2.gz LZCBSXPSPBVWAL-NXEZZACHSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000771403631 585593924 /nfs/dbraw/zinc/59/39/24/585593924.db2.gz LZCBSXPSPBVWAL-NXEZZACHSA-N 1 2 240.347 1.153 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccon1 ZINC000771480734 585595076 /nfs/dbraw/zinc/59/50/76/585595076.db2.gz SLYZFBCIKZEWGO-UHFFFAOYSA-N 1 2 220.232 1.290 20 0 BDADLO Cc1cnc(CO[NH+]=C(N)COC(C)C)s1 ZINC000771650531 585598512 /nfs/dbraw/zinc/59/85/12/585598512.db2.gz APXVEQHDAPLHJT-UHFFFAOYSA-N 1 2 243.332 1.875 20 0 BDADLO Cn1cncc1CO[NH+]=C(N)Cc1cccnc1 ZINC000771665325 585598626 /nfs/dbraw/zinc/59/86/26/585598626.db2.gz YVTQCBNTNHKDMG-UHFFFAOYSA-N 1 2 245.286 1.056 20 0 BDADLO CC(C)c1cc(C(=O)OCCn2cc[nH+]c2)n[nH]1 ZINC000771920516 585604604 /nfs/dbraw/zinc/60/46/04/585604604.db2.gz ZEQARGMGCZBHPL-UHFFFAOYSA-N 1 2 248.286 1.587 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000771994685 585606328 /nfs/dbraw/zinc/60/63/28/585606328.db2.gz POWUHRCOCHSRQB-MNOVXSKESA-N 1 2 238.287 1.384 20 0 BDADLO CC[C@H](SC)C(=O)OCCn1cc[nH+]c1 ZINC000772014334 585606823 /nfs/dbraw/zinc/60/68/23/585606823.db2.gz QTQYJEHCWFEQNA-VIFPVBQESA-N 1 2 228.317 1.568 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2C)nc1 ZINC000772279751 585611838 /nfs/dbraw/zinc/61/18/38/585611838.db2.gz YRQYXMHGPWSRSR-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2C)nc1 ZINC000772279751 585611839 /nfs/dbraw/zinc/61/18/39/585611839.db2.gz YRQYXMHGPWSRSR-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCC[C@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805478663 585634212 /nfs/dbraw/zinc/63/42/12/585634212.db2.gz XULWXWBGEKBFAI-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805478663 585634213 /nfs/dbraw/zinc/63/42/13/585634213.db2.gz XULWXWBGEKBFAI-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCCc1c[nH+]cn1C ZINC000773854683 585644979 /nfs/dbraw/zinc/64/49/79/585644979.db2.gz VQKFEMNOEOJDQT-ZHACJKMWSA-N 1 2 235.331 1.825 20 0 BDADLO Cc1ccnc(C[NH+]2CC(O)(C(C)C)C2)c1 ZINC000773891040 585645834 /nfs/dbraw/zinc/64/58/34/585645834.db2.gz MNIKGPYLZVUEGT-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO COc1ccc(C[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000773894552 585645944 /nfs/dbraw/zinc/64/59/44/585645944.db2.gz SVFJHGDHKJMMSN-UHFFFAOYSA-N 1 2 236.315 1.293 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H]1CCC=CO1 ZINC000774834297 585666774 /nfs/dbraw/zinc/66/67/74/585666774.db2.gz FCZNTEYFIRLYMW-NSHDSACASA-N 1 2 248.330 1.349 20 0 BDADLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H]1CCC=CO1 ZINC000774834297 585666775 /nfs/dbraw/zinc/66/67/75/585666775.db2.gz FCZNTEYFIRLYMW-NSHDSACASA-N 1 2 248.330 1.349 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000776300559 585695134 /nfs/dbraw/zinc/69/51/34/585695134.db2.gz CSDVUPBSIHCWGC-YUMQZZPRSA-N 1 2 212.318 1.642 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C2=CCCC2)C1 ZINC000776306442 585695596 /nfs/dbraw/zinc/69/55/96/585695596.db2.gz LTDBOZAWQVSSOO-UHFFFAOYSA-N 1 2 239.315 1.361 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000776426014 585698558 /nfs/dbraw/zinc/69/85/58/585698558.db2.gz HAOFLSIWTWDXTC-GHMZBOCLSA-N 1 2 222.288 1.863 20 0 BDADLO CSCCNC(=O)c1cccc2[nH+]ccn21 ZINC000776748032 585703895 /nfs/dbraw/zinc/70/38/95/585703895.db2.gz SGERWPWZXBCVBQ-UHFFFAOYSA-N 1 2 235.312 1.427 20 0 BDADLO Fc1cccc2c1C[N@H+](Cn1cnnc1)CC2 ZINC000776762229 585704718 /nfs/dbraw/zinc/70/47/18/585704718.db2.gz KNTBKVFVMKDUQS-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cccc2c1C[N@@H+](Cn1cnnc1)CC2 ZINC000776762229 585704719 /nfs/dbraw/zinc/70/47/19/585704719.db2.gz KNTBKVFVMKDUQS-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO C/C=C/C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777457293 585712624 /nfs/dbraw/zinc/71/26/24/585712624.db2.gz MXFFIEOBHXWWLO-LXOKAJLYSA-N 1 2 205.261 1.649 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(CF)cc1 ZINC000777572834 585715783 /nfs/dbraw/zinc/71/57/83/585715783.db2.gz OIALKNGFNGTSPK-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777572834 585715784 /nfs/dbraw/zinc/71/57/84/585715784.db2.gz OIALKNGFNGTSPK-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO Fc1cccc([C@H]2CC[N@@H+]2CC2OCCO2)c1 ZINC000777596717 585716945 /nfs/dbraw/zinc/71/69/45/585716945.db2.gz WGAWGVYSECFWHE-GFCCVEGCSA-N 1 2 237.274 1.945 20 0 BDADLO Fc1cccc([C@H]2CC[N@H+]2CC2OCCO2)c1 ZINC000777596717 585716946 /nfs/dbraw/zinc/71/69/46/585716946.db2.gz WGAWGVYSECFWHE-GFCCVEGCSA-N 1 2 237.274 1.945 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCSC2=S)C[C@H]1F ZINC000777965652 585724183 /nfs/dbraw/zinc/72/41/83/585724183.db2.gz BRSOMMXAONQCOP-RKDXNWHRSA-N 1 2 248.392 1.958 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCSC2=S)C[C@H]1F ZINC000777965652 585724184 /nfs/dbraw/zinc/72/41/84/585724184.db2.gz BRSOMMXAONQCOP-RKDXNWHRSA-N 1 2 248.392 1.958 20 0 BDADLO CCOC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000778107985 585725803 /nfs/dbraw/zinc/72/58/03/585725803.db2.gz SBWVIZPOWQVUGB-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO COC(=O)/C(C)=C/CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000778228834 585728468 /nfs/dbraw/zinc/72/84/68/585728468.db2.gz PEFFMRZLBCIZLP-UAWPZABVSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778228834 585728469 /nfs/dbraw/zinc/72/84/69/585728469.db2.gz PEFFMRZLBCIZLP-UAWPZABVSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778228834 585728470 /nfs/dbraw/zinc/72/84/70/585728470.db2.gz PEFFMRZLBCIZLP-UAWPZABVSA-N 1 2 249.314 1.666 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)nc1 ZINC000778247141 585729153 /nfs/dbraw/zinc/72/91/53/585729153.db2.gz VOCLUSLMLZOVLI-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)nc1 ZINC000778247141 585729154 /nfs/dbraw/zinc/72/91/54/585729154.db2.gz VOCLUSLMLZOVLI-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO COCCOc1ccc([NH2+][C@H](C)CCO)cc1 ZINC000779416932 585754264 /nfs/dbraw/zinc/75/42/64/585754264.db2.gz IVRCMPLIKLAPSB-LLVKDONJSA-N 1 2 239.315 1.895 20 0 BDADLO Cc1cnc(C(=O)NCCn2cc[nH+]c2)c(C)c1 ZINC000779744546 585760770 /nfs/dbraw/zinc/76/07/70/585760770.db2.gz VTYNJHXMGVOADE-UHFFFAOYSA-N 1 2 244.298 1.325 20 0 BDADLO O=C1NCC2(CCN(c3cccc[nH+]3)CC2)O1 ZINC000780652336 585782610 /nfs/dbraw/zinc/78/26/10/585782610.db2.gz LFGXBCBBPSNNMP-UHFFFAOYSA-N 1 2 233.271 1.160 20 0 BDADLO Cn1nccc1CO[NH+]=C(N)c1cccc(F)c1 ZINC000781154263 585791690 /nfs/dbraw/zinc/79/16/90/585791690.db2.gz LJQCLIJAQZEVLH-UHFFFAOYSA-N 1 2 248.261 1.606 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)co1 ZINC000781496203 585797642 /nfs/dbraw/zinc/79/76/42/585797642.db2.gz IXRWCKVMESINJK-UHFFFAOYSA-N 1 2 220.228 1.679 20 0 BDADLO FC(F)O[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000781531557 585798140 /nfs/dbraw/zinc/79/81/40/585798140.db2.gz HJQSYDAJMQEOAW-JTQLQIEISA-N 1 2 243.257 1.680 20 0 BDADLO FC(F)O[C@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000781531557 585798141 /nfs/dbraw/zinc/79/81/41/585798141.db2.gz HJQSYDAJMQEOAW-JTQLQIEISA-N 1 2 243.257 1.680 20 0 BDADLO OCCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000781945392 585805772 /nfs/dbraw/zinc/80/57/72/585805772.db2.gz LKOCSQBQDRGMHA-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000781945392 585805773 /nfs/dbraw/zinc/80/57/73/585805773.db2.gz LKOCSQBQDRGMHA-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO CN(C)c1cc(CSc2nncn2C)cc[nH+]1 ZINC000782110089 585807876 /nfs/dbraw/zinc/80/78/76/585807876.db2.gz JLVOFSCPONQUJI-UHFFFAOYSA-N 1 2 249.343 1.568 20 0 BDADLO CN(C)c1cc(COC(=O)C2CC2)cc[nH+]1 ZINC000782147398 585808601 /nfs/dbraw/zinc/80/86/01/585808601.db2.gz SKZBMCALEODCEX-UHFFFAOYSA-N 1 2 220.272 1.601 20 0 BDADLO COC(C)(C)CC(=O)NC1=[NH+]CCS1 ZINC000782201757 585812233 /nfs/dbraw/zinc/81/22/33/585812233.db2.gz TYILBRCDPSABNW-UHFFFAOYSA-N 1 2 216.306 1.021 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000782578436 585820248 /nfs/dbraw/zinc/82/02/48/585820248.db2.gz BOZQEPBIIUNXTJ-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(F)cc1 ZINC000782578436 585820249 /nfs/dbraw/zinc/82/02/49/585820249.db2.gz BOZQEPBIIUNXTJ-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000782590888 585821000 /nfs/dbraw/zinc/82/10/00/585821000.db2.gz HUENBCQAOHPJTF-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000782590888 585821001 /nfs/dbraw/zinc/82/10/01/585821001.db2.gz HUENBCQAOHPJTF-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO CO[C@@H](C)CCC(=O)OCc1c[nH+]cn1C ZINC000782609499 585821906 /nfs/dbraw/zinc/82/19/06/585821906.db2.gz UFAKCBDJJXSXKZ-VIFPVBQESA-N 1 2 226.276 1.278 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc(OC2COC2)cc1 ZINC000783315033 585833742 /nfs/dbraw/zinc/83/37/42/585833742.db2.gz HYIKNIFEJLWQBX-SNVBAGLBSA-N 1 2 237.299 1.647 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000805747172 585835639 /nfs/dbraw/zinc/83/56/39/585835639.db2.gz VLAZZMNSTNTXIH-JGVFFNPUSA-N 1 2 248.252 1.760 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000805747172 585835640 /nfs/dbraw/zinc/83/56/40/585835640.db2.gz VLAZZMNSTNTXIH-JGVFFNPUSA-N 1 2 248.252 1.760 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCOC2=S)[C@@H](C)[C@H](C)O1 ZINC000783542260 585836503 /nfs/dbraw/zinc/83/65/03/585836503.db2.gz IYUGNQILYSNVJA-UTLUCORTSA-N 1 2 244.360 1.059 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCOC2=S)[C@@H](C)[C@H](C)O1 ZINC000783542260 585836504 /nfs/dbraw/zinc/83/65/04/585836504.db2.gz IYUGNQILYSNVJA-UTLUCORTSA-N 1 2 244.360 1.059 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1=COCCC1 ZINC000783554561 585836721 /nfs/dbraw/zinc/83/67/21/585836721.db2.gz JLNNNTVKOPGESU-UHFFFAOYSA-N 1 2 236.271 1.511 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCCC1CC1 ZINC000783559478 585836908 /nfs/dbraw/zinc/83/69/08/585836908.db2.gz PKNGLALYNXANFA-UHFFFAOYSA-N 1 2 219.288 1.923 20 0 BDADLO O=C(C[C@@H]1CCOC1)OCCCn1cc[nH+]c1 ZINC000783765125 585842647 /nfs/dbraw/zinc/84/26/47/585842647.db2.gz PFZCVRBTUHJYIN-NSHDSACASA-N 1 2 238.287 1.243 20 0 BDADLO Cc1cnoc1C(=O)OCCCn1cc[nH+]c1 ZINC000784102370 585849580 /nfs/dbraw/zinc/84/95/80/585849580.db2.gz UOQRZBKRCNDOQB-UHFFFAOYSA-N 1 2 235.243 1.427 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1=CCCC1 ZINC000784152593 585851735 /nfs/dbraw/zinc/85/17/35/585851735.db2.gz NLECWDUUADMEDE-UHFFFAOYSA-N 1 2 220.272 1.927 20 0 BDADLO CCC[C@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000784284621 585854568 /nfs/dbraw/zinc/85/45/68/585854568.db2.gz UVLVNPPDSQUTHZ-LBPRGKRZSA-N 1 2 240.303 1.368 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000784446985 585859935 /nfs/dbraw/zinc/85/99/35/585859935.db2.gz VDGFTDOPRJUXOS-LDYMZIIASA-N 1 2 239.294 1.377 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000784446985 585859936 /nfs/dbraw/zinc/85/99/36/585859936.db2.gz VDGFTDOPRJUXOS-LDYMZIIASA-N 1 2 239.294 1.377 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCCCn2cc[nH+]c2)CO1 ZINC000784876466 585867397 /nfs/dbraw/zinc/86/73/97/585867397.db2.gz SCIFGAUKGWSUNK-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)cnn1 ZINC000784888065 585867954 /nfs/dbraw/zinc/86/79/54/585867954.db2.gz DMWBEOQXZRDDEP-UHFFFAOYSA-N 1 2 246.270 1.229 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(C)CC1 ZINC000784906685 585868207 /nfs/dbraw/zinc/86/82/07/585868207.db2.gz JTAPLOLBCBMEBB-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO CC(C)/C=C\C(=O)OCCn1cc[nH+]c1 ZINC000785077603 585870543 /nfs/dbraw/zinc/87/05/43/585870543.db2.gz LTFAJOOKZYTAEI-ARJAWSKDSA-N 1 2 208.261 1.639 20 0 BDADLO CC(C)C(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785728459 585878841 /nfs/dbraw/zinc/87/88/41/585878841.db2.gz HRCUEVRDCLZWDO-GHMZBOCLSA-N 1 2 241.331 1.628 20 0 BDADLO CCC(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785744382 585879377 /nfs/dbraw/zinc/87/93/77/585879377.db2.gz UTBRZYSJJVDRMK-NXEZZACHSA-N 1 2 227.304 1.382 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)C2COC2)c1 ZINC000785772335 585880405 /nfs/dbraw/zinc/88/04/05/585880405.db2.gz IADAADPYJCYYGZ-UHFFFAOYSA-N 1 2 237.255 1.088 20 0 BDADLO CCc1cccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000787309175 585906624 /nfs/dbraw/zinc/90/66/24/585906624.db2.gz BHSWPZQECUFUDI-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1cccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000787309175 585906625 /nfs/dbraw/zinc/90/66/25/585906625.db2.gz BHSWPZQECUFUDI-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2nonc2C)ccn1 ZINC000805833595 585908048 /nfs/dbraw/zinc/90/80/48/585908048.db2.gz BNSFDOJLCVURIS-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000787390007 585908464 /nfs/dbraw/zinc/90/84/64/585908464.db2.gz FQKFEZJLRNHSBX-JTQLQIEISA-N 1 2 242.388 1.435 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000787390007 585908465 /nfs/dbraw/zinc/90/84/65/585908465.db2.gz FQKFEZJLRNHSBX-JTQLQIEISA-N 1 2 242.388 1.435 20 0 BDADLO O=C(C(F)F)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000787484466 585910382 /nfs/dbraw/zinc/91/03/82/585910382.db2.gz CHYQNZOHYCCDSI-LURJTMIESA-N 1 2 215.203 1.338 20 0 BDADLO Cc1ncsc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787608143 585912820 /nfs/dbraw/zinc/91/28/20/585912820.db2.gz UKXNTXKQEMYBAG-UHFFFAOYSA-N 1 2 249.295 1.786 20 0 BDADLO Cc1ncc(C[N@H+](C)CC[S@](C)=O)s1 ZINC000787713537 585914201 /nfs/dbraw/zinc/91/42/01/585914201.db2.gz ZSHUNMJKHGAPHP-AWEZNQCLSA-N 1 2 232.374 1.262 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC[S@](C)=O)s1 ZINC000787713537 585914202 /nfs/dbraw/zinc/91/42/02/585914202.db2.gz ZSHUNMJKHGAPHP-AWEZNQCLSA-N 1 2 232.374 1.262 20 0 BDADLO Cc1ncc(C[N@H+](C)CC[S@@](C)=O)s1 ZINC000787713541 585914357 /nfs/dbraw/zinc/91/43/57/585914357.db2.gz ZSHUNMJKHGAPHP-CQSZACIVSA-N 1 2 232.374 1.262 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC[S@@](C)=O)s1 ZINC000787713541 585914358 /nfs/dbraw/zinc/91/43/58/585914358.db2.gz ZSHUNMJKHGAPHP-CQSZACIVSA-N 1 2 232.374 1.262 20 0 BDADLO CCCN1CCC[N@H+](Cc2ccoc2)CC1=O ZINC000788268619 585920210 /nfs/dbraw/zinc/92/02/10/585920210.db2.gz FHFRBKWBHVKFNO-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO CCCN1CCC[N@@H+](Cc2ccoc2)CC1=O ZINC000788268619 585920211 /nfs/dbraw/zinc/92/02/11/585920211.db2.gz FHFRBKWBHVKFNO-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO C/C=C(\CC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000788783640 585930322 /nfs/dbraw/zinc/93/03/22/585930322.db2.gz FGRDEAFVLVIQOP-UUILKARUSA-N 1 2 240.347 1.133 20 0 BDADLO C/C=C(/CC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000788783638 585930354 /nfs/dbraw/zinc/93/03/54/585930354.db2.gz FGRDEAFVLVIQOP-QCDXTXTGSA-N 1 2 240.347 1.133 20 0 BDADLO CSC1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000789196128 585936734 /nfs/dbraw/zinc/93/67/34/585936734.db2.gz NASBFPPJYLRQLH-UHFFFAOYSA-N 1 2 226.301 1.322 20 0 BDADLO C[Si](C)(C)C[N@H+]1CC(=O)N(CC2CC2)C1 ZINC000789378803 585941771 /nfs/dbraw/zinc/94/17/71/585941771.db2.gz WHRBKDLCFGGHOA-UHFFFAOYSA-N 1 2 226.396 1.376 20 0 BDADLO C[Si](C)(C)C[N@@H+]1CC(=O)N(CC2CC2)C1 ZINC000789378803 585941772 /nfs/dbraw/zinc/94/17/72/585941772.db2.gz WHRBKDLCFGGHOA-UHFFFAOYSA-N 1 2 226.396 1.376 20 0 BDADLO COC[C@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC000789574164 585944453 /nfs/dbraw/zinc/94/44/53/585944453.db2.gz BJENUPOIUZDSTH-LBPRGKRZSA-N 1 2 243.347 1.877 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cnc(Cl)c(C)c1 ZINC000789595279 585945232 /nfs/dbraw/zinc/94/52/32/585945232.db2.gz HBJGHCVYMKKDNC-UHFFFAOYSA-N 1 2 241.722 1.351 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cnc(Cl)c(C)c1 ZINC000789595279 585945233 /nfs/dbraw/zinc/94/52/33/585945233.db2.gz HBJGHCVYMKKDNC-UHFFFAOYSA-N 1 2 241.722 1.351 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000789608526 585946408 /nfs/dbraw/zinc/94/64/08/585946408.db2.gz KJMWHVLBRLTTBM-IUCAKERBSA-N 1 2 216.281 1.089 20 0 BDADLO CSCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789609499 585946464 /nfs/dbraw/zinc/94/64/64/585946464.db2.gz NOENNRAFIQOLCP-MRVPVSSYSA-N 1 2 218.322 1.417 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cccc(F)c1 ZINC000789775931 585949636 /nfs/dbraw/zinc/94/96/36/585949636.db2.gz FCEQHGSFPBCKLX-UHFFFAOYSA-N 1 2 248.257 1.959 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cccs1 ZINC000789773645 585949867 /nfs/dbraw/zinc/94/98/67/585949867.db2.gz YWNHWEOGIODWKM-UHFFFAOYSA-N 1 2 236.296 1.881 20 0 BDADLO CO[C@H](C)CC(=O)OCCCc1[nH+]ccn1C ZINC000789786270 585949979 /nfs/dbraw/zinc/94/99/79/585949979.db2.gz AIPZAGGRIFXLIL-SNVBAGLBSA-N 1 2 240.303 1.321 20 0 BDADLO CC=C(CC)C(=O)Nc1cc[nH+]cc1O ZINC000789830950 585951134 /nfs/dbraw/zinc/95/11/34/585951134.db2.gz GJWPEYXIXSMLEC-FPYGCLRLSA-N 1 2 206.245 1.504 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000790338651 585964094 /nfs/dbraw/zinc/96/40/94/585964094.db2.gz NOJKXDVOPHFILE-BDAKNGLRSA-N 1 2 247.302 1.626 20 0 BDADLO COC/C=C\C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000791338812 585977870 /nfs/dbraw/zinc/97/78/70/585977870.db2.gz AYCKVVKVVXFXIA-VLWUPBBWSA-N 1 2 249.314 1.666 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccnc(N)c1 ZINC000791929201 585991792 /nfs/dbraw/zinc/99/17/92/585991792.db2.gz GYKHRDNVUAPIDF-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccnc(N)c1 ZINC000791929201 585991793 /nfs/dbraw/zinc/99/17/93/585991793.db2.gz GYKHRDNVUAPIDF-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO CCC[C@](C)(O)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792040969 585994541 /nfs/dbraw/zinc/99/45/41/585994541.db2.gz NGCPPPQEHKTKRQ-LBPRGKRZSA-N 1 2 238.287 1.258 20 0 BDADLO CC(C)(C(=O)OCc1cc[nH+]c(N)c1)C(F)F ZINC000792272476 585998770 /nfs/dbraw/zinc/99/87/70/585998770.db2.gz OFCAPFFKZSOYCU-UHFFFAOYSA-N 1 2 244.241 1.998 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1ncccn1 ZINC000792281862 585998997 /nfs/dbraw/zinc/99/89/97/585998997.db2.gz NYQWCXXOBMUQDX-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1ncccn1 ZINC000792281862 585998998 /nfs/dbraw/zinc/99/89/98/585998998.db2.gz NYQWCXXOBMUQDX-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CCONC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000792931505 586006925 /nfs/dbraw/zinc/00/69/25/586006925.db2.gz HZEUIAMFOXVGNL-UHFFFAOYSA-N 1 2 233.271 1.563 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(Cl)[nH]n1 ZINC000793713529 586025278 /nfs/dbraw/zinc/02/52/78/586025278.db2.gz QKICTVORWSFNGN-UHFFFAOYSA-N 1 2 239.666 1.358 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(Cl)[nH]n1 ZINC000793713529 586025279 /nfs/dbraw/zinc/02/52/79/586025279.db2.gz QKICTVORWSFNGN-UHFFFAOYSA-N 1 2 239.666 1.358 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOCC[C@H]2C)[nH]1 ZINC000794466903 586040429 /nfs/dbraw/zinc/04/04/29/586040429.db2.gz WONBJVCIRQWWKJ-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOCC[C@H]2C)[nH]1 ZINC000794466903 586040430 /nfs/dbraw/zinc/04/04/30/586040430.db2.gz WONBJVCIRQWWKJ-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO NC(=[NH+]O[C@H]1CCOC1)c1ccccc1 ZINC000794520410 586041532 /nfs/dbraw/zinc/04/15/32/586041532.db2.gz UYRWSJXHMPHIKA-JTQLQIEISA-N 1 2 206.245 1.322 20 0 BDADLO Cc1cnc([C@@H](C)[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000794528503 586042333 /nfs/dbraw/zinc/04/23/33/586042333.db2.gz OAELRFKYEIQDHL-LLVKDONJSA-N 1 2 235.331 1.549 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000794577983 586045164 /nfs/dbraw/zinc/04/51/64/586045164.db2.gz VNPSPRDTIZSEEL-NEPJUHHUSA-N 1 2 243.347 1.326 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cn2ccsc2=O)CC1 ZINC000794667864 586046282 /nfs/dbraw/zinc/04/62/82/586046282.db2.gz QKRRZTRHVAOQJO-LLVKDONJSA-N 1 2 242.344 1.104 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cn2ccsc2=O)CC1 ZINC000794667864 586046283 /nfs/dbraw/zinc/04/62/83/586046283.db2.gz QKRRZTRHVAOQJO-LLVKDONJSA-N 1 2 242.344 1.104 20 0 BDADLO Cn1cnn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=O ZINC000794682613 586046887 /nfs/dbraw/zinc/04/68/87/586046887.db2.gz ATNVQGDDYZKOCA-SNVBAGLBSA-N 1 2 238.335 1.050 20 0 BDADLO Cn1cnn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=O ZINC000794682613 586046888 /nfs/dbraw/zinc/04/68/88/586046888.db2.gz ATNVQGDDYZKOCA-SNVBAGLBSA-N 1 2 238.335 1.050 20 0 BDADLO CC1=CC[N@H+](CN2C[C@H](C(F)F)CC2=O)CC1 ZINC000795443219 586079036 /nfs/dbraw/zinc/07/90/36/586079036.db2.gz RNKARUCMTZUDSA-SNVBAGLBSA-N 1 2 244.285 1.710 20 0 BDADLO CC1=CC[N@@H+](CN2C[C@H](C(F)F)CC2=O)CC1 ZINC000795443219 586079038 /nfs/dbraw/zinc/07/90/38/586079038.db2.gz RNKARUCMTZUDSA-SNVBAGLBSA-N 1 2 244.285 1.710 20 0 BDADLO Cc1nc(C)c(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000859305724 589029677 /nfs/dbraw/zinc/02/96/77/589029677.db2.gz MKDIDQLGPJUSNR-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)[C@H]1CC(C)(C)OC1=O ZINC000795711341 586091420 /nfs/dbraw/zinc/09/14/20/586091420.db2.gz VCOPZGKXTXAXBH-JTQLQIEISA-N 1 2 239.315 1.382 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)[C@H]1CC(C)(C)OC1=O ZINC000795711341 586091421 /nfs/dbraw/zinc/09/14/21/586091421.db2.gz VCOPZGKXTXAXBH-JTQLQIEISA-N 1 2 239.315 1.382 20 0 BDADLO CO[C@H](C)C[N@H+](C)CN1CCSC1=O ZINC000795745642 586091672 /nfs/dbraw/zinc/09/16/72/586091672.db2.gz DQDZQYKKXVMLLV-MRVPVSSYSA-N 1 2 218.322 1.079 20 0 BDADLO CO[C@H](C)C[N@@H+](C)CN1CCSC1=O ZINC000795745642 586091673 /nfs/dbraw/zinc/09/16/73/586091673.db2.gz DQDZQYKKXVMLLV-MRVPVSSYSA-N 1 2 218.322 1.079 20 0 BDADLO CO[C@@H](C(=O)OCCCn1cc[nH+]c1)C1CC1 ZINC000795841438 586093171 /nfs/dbraw/zinc/09/31/71/586093171.db2.gz RSYWBVGJEYENLD-LLVKDONJSA-N 1 2 238.287 1.241 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCOC1 ZINC000796199224 586098745 /nfs/dbraw/zinc/09/87/45/586098745.db2.gz BFLSDFHORUSYQX-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCOC1 ZINC000796199224 586098746 /nfs/dbraw/zinc/09/87/46/586098746.db2.gz BFLSDFHORUSYQX-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC(F)(F)C1 ZINC000796369196 586101920 /nfs/dbraw/zinc/10/19/20/586101920.db2.gz ASHFHYHVTLZVNC-VIFPVBQESA-N 1 2 244.241 1.862 20 0 BDADLO CCn1nccc1C[N@@H+](C/C=C/Cl)CCO ZINC000796468717 586104458 /nfs/dbraw/zinc/10/44/58/586104458.db2.gz NQJAMZNGEDFYQS-HWKANZROSA-N 1 2 243.738 1.450 20 0 BDADLO CCn1nccc1C[N@H+](C/C=C/Cl)CCO ZINC000796468717 586104459 /nfs/dbraw/zinc/10/44/59/586104459.db2.gz NQJAMZNGEDFYQS-HWKANZROSA-N 1 2 243.738 1.450 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)C(C)(C)C ZINC000796493392 586105067 /nfs/dbraw/zinc/10/50/67/586105067.db2.gz XQRJSHRUTHPQBK-SECBINFHSA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)C(C)(C)C ZINC000796493392 586105068 /nfs/dbraw/zinc/10/50/68/586105068.db2.gz XQRJSHRUTHPQBK-SECBINFHSA-N 1 2 229.320 1.485 20 0 BDADLO CCCCOC(=O)CC[N@H+](C)[C@H](C)C(=O)OC ZINC000796497296 586105218 /nfs/dbraw/zinc/10/52/18/586105218.db2.gz TZRJDEDMQJMUEU-SNVBAGLBSA-N 1 2 245.319 1.213 20 0 BDADLO CCCCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC ZINC000796497296 586105219 /nfs/dbraw/zinc/10/52/19/586105219.db2.gz TZRJDEDMQJMUEU-SNVBAGLBSA-N 1 2 245.319 1.213 20 0 BDADLO CC(C)CNC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796539199 586106510 /nfs/dbraw/zinc/10/65/10/586106510.db2.gz LEGMCHREVRSLHM-UHFFFAOYSA-N 1 2 234.290 1.490 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000796745750 586111426 /nfs/dbraw/zinc/11/14/26/586111426.db2.gz RDXCULGOVKRQMZ-KOLCDFICSA-N 1 2 240.303 1.524 20 0 BDADLO O=C(C[C@H]1CCC(F)(F)C1)NCc1[nH]cc[nH+]1 ZINC000797871861 586133542 /nfs/dbraw/zinc/13/35/42/586133542.db2.gz CNKZEAIEOAHVFO-MRVPVSSYSA-N 1 2 243.257 1.851 20 0 BDADLO C[S@@](=O)CC[NH+]1Cc2ccccc2C1 ZINC000798194950 586139718 /nfs/dbraw/zinc/13/97/18/586139718.db2.gz KBGYOQCMKVSFTQ-CQSZACIVSA-N 1 2 209.314 1.381 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799192947 586166519 /nfs/dbraw/zinc/16/65/19/586166519.db2.gz JDKIZPXPFZPHCK-SNVBAGLBSA-N 1 2 220.272 1.044 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799192947 586166521 /nfs/dbraw/zinc/16/65/21/586166521.db2.gz JDKIZPXPFZPHCK-SNVBAGLBSA-N 1 2 220.272 1.044 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nonc2C)CCCO1 ZINC000799200153 586167691 /nfs/dbraw/zinc/16/76/91/586167691.db2.gz AXCPSQPIVZCLIP-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nonc2C)CCCO1 ZINC000799200153 586167692 /nfs/dbraw/zinc/16/76/92/586167692.db2.gz AXCPSQPIVZCLIP-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000799347948 586172364 /nfs/dbraw/zinc/17/23/64/586172364.db2.gz SVODKWUYZJIQQC-GZMMTYOYSA-N 1 2 249.314 1.166 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859350171 589033449 /nfs/dbraw/zinc/03/34/49/589033449.db2.gz PDZNNAPEAIKLRB-PSASIEDQSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859350171 589033450 /nfs/dbraw/zinc/03/34/50/589033450.db2.gz PDZNNAPEAIKLRB-PSASIEDQSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@H](C)C1(F)F ZINC000859411653 589034906 /nfs/dbraw/zinc/03/49/06/589034906.db2.gz MCIJUNSGLYCMPF-HRDYMLBCSA-N 1 2 233.258 1.525 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@H](C)C1(F)F ZINC000859411653 589034907 /nfs/dbraw/zinc/03/49/07/589034907.db2.gz MCIJUNSGLYCMPF-HRDYMLBCSA-N 1 2 233.258 1.525 20 0 BDADLO Cn1c[nH+]c(C=Cc2n[nH]cc2C=O)c1 ZINC000800793138 586229388 /nfs/dbraw/zinc/22/93/88/586229388.db2.gz HUPBKWQDFBQMGZ-IHWYPQMZSA-N 1 2 202.217 1.126 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564487 586263274 /nfs/dbraw/zinc/26/32/74/586263274.db2.gz OQXINPDAHPFNKU-SECBINFHSA-N 1 2 237.290 1.767 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564487 586263276 /nfs/dbraw/zinc/26/32/76/586263276.db2.gz OQXINPDAHPFNKU-SECBINFHSA-N 1 2 237.290 1.767 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000801547497 586261838 /nfs/dbraw/zinc/26/18/38/586261838.db2.gz PSDYVUCMBNOVKD-OVYXKVPISA-N 1 2 239.344 1.222 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000801547497 586261841 /nfs/dbraw/zinc/26/18/41/586261841.db2.gz PSDYVUCMBNOVKD-OVYXKVPISA-N 1 2 239.344 1.222 20 0 BDADLO O=C(CC[N@@H+]1CCO[C@H](C(F)F)C1)C1CC1 ZINC000801563191 586263404 /nfs/dbraw/zinc/26/34/04/586263404.db2.gz ADUAOMCYHBWIMF-JTQLQIEISA-N 1 2 233.258 1.322 20 0 BDADLO O=C(CC[N@H+]1CCO[C@H](C(F)F)C1)C1CC1 ZINC000801563191 586263406 /nfs/dbraw/zinc/26/34/06/586263406.db2.gz ADUAOMCYHBWIMF-JTQLQIEISA-N 1 2 233.258 1.322 20 0 BDADLO CCC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801567600 586264298 /nfs/dbraw/zinc/26/42/98/586264298.db2.gz UZKAOVHNJYOFJX-SECBINFHSA-N 1 2 221.247 1.322 20 0 BDADLO CCC(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801567600 586264300 /nfs/dbraw/zinc/26/43/00/586264300.db2.gz UZKAOVHNJYOFJX-SECBINFHSA-N 1 2 221.247 1.322 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCOC(F)F)C2 ZINC000859477402 589039938 /nfs/dbraw/zinc/03/99/38/589039938.db2.gz CDLKOACKPKPBGP-UHFFFAOYSA-N 1 2 229.226 1.947 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCOC(F)F)C2 ZINC000859477402 589039939 /nfs/dbraw/zinc/03/99/39/589039939.db2.gz CDLKOACKPKPBGP-UHFFFAOYSA-N 1 2 229.226 1.947 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478006 589040235 /nfs/dbraw/zinc/04/02/35/589040235.db2.gz AMVCVBDVUMIDQL-YHYXMXQVSA-N 1 2 247.294 1.827 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478006 589040237 /nfs/dbraw/zinc/04/02/37/589040237.db2.gz AMVCVBDVUMIDQL-YHYXMXQVSA-N 1 2 247.294 1.827 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\c1ccc[nH]1 ZINC000802098615 586289568 /nfs/dbraw/zinc/28/95/68/586289568.db2.gz UFQDADXSDXAWAJ-PLNGDYQASA-N 1 2 231.255 1.505 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CC12CCC2 ZINC000802236025 586297768 /nfs/dbraw/zinc/29/77/68/586297768.db2.gz FEYRYYVANYZTBB-MNOVXSKESA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CC12CCC2 ZINC000802236025 586297771 /nfs/dbraw/zinc/29/77/71/586297771.db2.gz FEYRYYVANYZTBB-MNOVXSKESA-N 1 2 241.306 1.764 20 0 BDADLO CCC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC000802233932 586298105 /nfs/dbraw/zinc/29/81/05/586298105.db2.gz XBJXCNMARYJOMY-SNVBAGLBSA-N 1 2 229.295 1.764 20 0 BDADLO CCC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802233932 586298108 /nfs/dbraw/zinc/29/81/08/586298108.db2.gz XBJXCNMARYJOMY-SNVBAGLBSA-N 1 2 229.295 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCCCO1 ZINC000802242636 586298726 /nfs/dbraw/zinc/29/87/26/586298726.db2.gz NKILSDUFVBTYNY-QWRGUYRKSA-N 1 2 245.294 1.143 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCCCO1 ZINC000802242636 586298727 /nfs/dbraw/zinc/29/87/27/586298727.db2.gz NKILSDUFVBTYNY-QWRGUYRKSA-N 1 2 245.294 1.143 20 0 BDADLO CSC[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239968 586299184 /nfs/dbraw/zinc/29/91/84/586299184.db2.gz SPYVMLKSRICHLA-ZJUUUORDSA-N 1 2 249.351 1.573 20 0 BDADLO CSC[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239968 586299186 /nfs/dbraw/zinc/29/91/86/586299186.db2.gz SPYVMLKSRICHLA-ZJUUUORDSA-N 1 2 249.351 1.573 20 0 BDADLO C[C@H]1CN(C[NH+]2CCSCC2)C(=O)[C@H]1C ZINC000839965535 586304471 /nfs/dbraw/zinc/30/44/71/586304471.db2.gz MJOLNEKDOGUFRN-UWVGGRQHSA-N 1 2 228.361 1.107 20 0 BDADLO C[C@H]1CN(C[NH+]2CCSCC2)C(=O)[C@@H]1C ZINC000839965537 586304822 /nfs/dbraw/zinc/30/48/22/586304822.db2.gz MJOLNEKDOGUFRN-VHSXEESVSA-N 1 2 228.361 1.107 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)/C=C\SC)C1 ZINC000802775409 586313345 /nfs/dbraw/zinc/31/33/45/586313345.db2.gz SHSSBMFQPJJBJY-DAXSKMNVSA-N 1 2 245.344 1.127 20 0 BDADLO C/C=C(/CC)C(=O)OC1C[NH+](CCOCC)C1 ZINC000802775906 586313531 /nfs/dbraw/zinc/31/35/31/586313531.db2.gz LBRBPFOREBXACC-WCIBSUBMSA-N 1 2 241.331 1.607 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CC2CCC2)C1 ZINC000802771276 586313631 /nfs/dbraw/zinc/31/36/31/586313631.db2.gz ILGXLQAZJGRNJW-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CS[C@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000802785795 586314073 /nfs/dbraw/zinc/31/40/73/586314073.db2.gz GSXRZSDVHUGFEF-SECBINFHSA-N 1 2 242.344 1.647 20 0 BDADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839999262 586349530 /nfs/dbraw/zinc/34/95/30/586349530.db2.gz KUSKZIWFWDAFGQ-TUAOUCFPSA-N 1 2 238.331 1.066 20 0 BDADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839999262 586349533 /nfs/dbraw/zinc/34/95/33/586349533.db2.gz KUSKZIWFWDAFGQ-TUAOUCFPSA-N 1 2 238.331 1.066 20 0 BDADLO CC(C)[C@@H](C(=O)O[C@H](C)C(=O)C1CC1)[NH+](C)C ZINC000803496542 586361435 /nfs/dbraw/zinc/36/14/35/586361435.db2.gz GBKNXBBPAZNYSQ-KOLCDFICSA-N 1 2 241.331 1.483 20 0 BDADLO C[C@H]1C[C@@H]1COC(=O)CCc1ccc(N)[nH+]c1 ZINC000859610478 589048686 /nfs/dbraw/zinc/04/86/86/589048686.db2.gz RMHZRHUWXCBYGY-GXSJLCMTSA-N 1 2 234.299 1.796 20 0 BDADLO CC[N@@H+](Cc1ccccn1)CN1CC[C@@H](C)C1=O ZINC000840024009 586383588 /nfs/dbraw/zinc/38/35/88/586383588.db2.gz UDPQYDWTFGKJSH-GFCCVEGCSA-N 1 2 247.342 1.729 20 0 BDADLO CC[N@H+](Cc1ccccn1)CN1CC[C@@H](C)C1=O ZINC000840024009 586383589 /nfs/dbraw/zinc/38/35/89/586383589.db2.gz UDPQYDWTFGKJSH-GFCCVEGCSA-N 1 2 247.342 1.729 20 0 BDADLO C[C@@H]1C[C@@H]1COC(=O)CCc1ccc(N)[nH+]c1 ZINC000859610480 589048808 /nfs/dbraw/zinc/04/88/08/589048808.db2.gz RMHZRHUWXCBYGY-MWLCHTKSSA-N 1 2 234.299 1.796 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2C[C@H]21 ZINC000804292725 586387610 /nfs/dbraw/zinc/38/76/10/586387610.db2.gz ZYUHRRNYMBFEOR-GXSJLCMTSA-N 1 2 219.288 1.353 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2C[C@H]21 ZINC000804292725 586387612 /nfs/dbraw/zinc/38/76/12/586387612.db2.gz ZYUHRRNYMBFEOR-GXSJLCMTSA-N 1 2 219.288 1.353 20 0 BDADLO C[C@H]1CC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@@H]1F ZINC000840039504 586390614 /nfs/dbraw/zinc/39/06/14/586390614.db2.gz AHVSTHBWXWTYBB-USZNOCQGSA-N 1 2 240.322 1.635 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@@H]1F ZINC000840039504 586390617 /nfs/dbraw/zinc/39/06/17/586390617.db2.gz AHVSTHBWXWTYBB-USZNOCQGSA-N 1 2 240.322 1.635 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1=COCCC1 ZINC000804333420 586390943 /nfs/dbraw/zinc/39/09/43/586390943.db2.gz ZXDLNMJBRKOVSH-LLVKDONJSA-N 1 2 247.298 1.008 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)C(=O)[C@@H]1C ZINC000840040546 586391131 /nfs/dbraw/zinc/39/11/31/586391131.db2.gz FWBNQUDLIGXJOV-WRWGMCAJSA-N 1 2 242.338 1.738 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@@H](C)[C@H](F)C2)C(=O)[C@@H]1C ZINC000840040546 586391133 /nfs/dbraw/zinc/39/11/33/586391133.db2.gz FWBNQUDLIGXJOV-WRWGMCAJSA-N 1 2 242.338 1.738 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000840040679 586391826 /nfs/dbraw/zinc/39/18/26/586391826.db2.gz OOPWUTXMEVHLDQ-WISYIIOYSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000840040679 586391829 /nfs/dbraw/zinc/39/18/29/586391829.db2.gz OOPWUTXMEVHLDQ-WISYIIOYSA-N 1 2 240.347 1.168 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337458 586392022 /nfs/dbraw/zinc/39/20/22/586392022.db2.gz YAVQPWAXFMZPHK-JNZVDCKRSA-N 1 2 233.315 1.670 20 0 BDADLO CC[C@@]1(C)C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840053443 586403177 /nfs/dbraw/zinc/40/31/77/586403177.db2.gz NYHWHCVZZOYJBX-AAEUAGOBSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840053443 586403180 /nfs/dbraw/zinc/40/31/80/586403180.db2.gz NYHWHCVZZOYJBX-AAEUAGOBSA-N 1 2 240.347 1.313 20 0 BDADLO CCc1nc(N2CC(=O)N(C)C[C@@H]2C)cc(C)[nH+]1 ZINC000804637580 586404138 /nfs/dbraw/zinc/40/41/38/586404138.db2.gz LCIOJAUXWMUFKB-JTQLQIEISA-N 1 2 248.330 1.014 20 0 BDADLO CSCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000806887803 586419901 /nfs/dbraw/zinc/41/99/01/586419901.db2.gz DUBJWYMGNLBKPN-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC2(CCCC2)C1 ZINC000806960435 586420799 /nfs/dbraw/zinc/42/07/99/586420799.db2.gz DPQJWLASVJHEDV-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO CSC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000806972377 586421124 /nfs/dbraw/zinc/42/11/24/586421124.db2.gz SUQRKJJKLYKTOM-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H]2COC)C1 ZINC000840084383 586424620 /nfs/dbraw/zinc/42/46/20/586424620.db2.gz RUXRLJMXGRRDMJ-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H]2COC)C1 ZINC000840084383 586424621 /nfs/dbraw/zinc/42/46/21/586424621.db2.gz RUXRLJMXGRRDMJ-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO CC[NH2+]Cc1noc(CC2CCOCC2)n1 ZINC000843145473 586445057 /nfs/dbraw/zinc/44/50/57/586445057.db2.gz MSXUCJYLMPRDKN-UHFFFAOYSA-N 1 2 225.292 1.148 20 0 BDADLO CC[NH2+]Cc1noc(/C=C/c2cccnc2)n1 ZINC000843145504 586445207 /nfs/dbraw/zinc/44/52/07/586445207.db2.gz NNHUREWKKJHEJO-AATRIKPKSA-N 1 2 230.271 1.745 20 0 BDADLO F[C@H]1CC[N@H+](Cn2nccc2-c2ccncc2)C1 ZINC000840103501 586447200 /nfs/dbraw/zinc/44/72/00/586447200.db2.gz MKIFNZKADBHXPC-LBPRGKRZSA-N 1 2 246.289 1.946 20 0 BDADLO F[C@H]1CC[N@@H+](Cn2nccc2-c2ccncc2)C1 ZINC000840103501 586447201 /nfs/dbraw/zinc/44/72/01/586447201.db2.gz MKIFNZKADBHXPC-LBPRGKRZSA-N 1 2 246.289 1.946 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1C(=O)CCC1(C)C ZINC000808160018 586465900 /nfs/dbraw/zinc/46/59/00/586465900.db2.gz LVDNRVMFTTVOMW-LLVKDONJSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1C(=O)CCC1(C)C ZINC000808160018 586465899 /nfs/dbraw/zinc/46/58/99/586465899.db2.gz LVDNRVMFTTVOMW-LLVKDONJSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CN1C(=O)CCC1(C)C ZINC000808172200 586466032 /nfs/dbraw/zinc/46/60/32/586466032.db2.gz QTRYKAMMFMYLIB-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CN1C(=O)CCC1(C)C ZINC000808172200 586466033 /nfs/dbraw/zinc/46/60/33/586466033.db2.gz QTRYKAMMFMYLIB-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CC(C)(C)CC2=O)C[C@@H]1F ZINC000808176247 586466252 /nfs/dbraw/zinc/46/62/52/586466252.db2.gz CDNMSIOOXHWQBS-MNOVXSKESA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CC(C)(C)CC2=O)C[C@@H]1F ZINC000808176247 586466254 /nfs/dbraw/zinc/46/62/54/586466254.db2.gz CDNMSIOOXHWQBS-MNOVXSKESA-N 1 2 242.338 1.882 20 0 BDADLO CC(C)c1nnc([C@H](C)NCc2cn(C)c[nH+]2)[nH]1 ZINC000808401584 586471154 /nfs/dbraw/zinc/47/11/54/586471154.db2.gz JWBVIRGQXRRSDS-VIFPVBQESA-N 1 2 248.334 1.512 20 0 BDADLO CC(C)C(=O)CC[NH+]1CCN(CC2CC2)CC1 ZINC000808710989 586483678 /nfs/dbraw/zinc/48/36/78/586483678.db2.gz RYGVWSOKIIIJJL-UHFFFAOYSA-N 1 2 238.375 1.629 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1=CCC1 ZINC000809320406 586503457 /nfs/dbraw/zinc/50/34/57/586503457.db2.gz FCUXBFOIENKFPE-UHFFFAOYSA-N 1 2 219.240 1.854 20 0 BDADLO c1cn(CCC[N@@H+]2Cc3ccncc3C2)cn1 ZINC000809566405 586507203 /nfs/dbraw/zinc/50/72/03/586507203.db2.gz ZZURKOGANHRVRR-UHFFFAOYSA-N 1 2 228.299 1.684 20 0 BDADLO c1cn(CCC[N@H+]2Cc3ccncc3C2)cn1 ZINC000809566405 586507205 /nfs/dbraw/zinc/50/72/05/586507205.db2.gz ZZURKOGANHRVRR-UHFFFAOYSA-N 1 2 228.299 1.684 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)co1 ZINC000809697136 586513443 /nfs/dbraw/zinc/51/34/43/586513443.db2.gz CEEVWJLGIKZSJM-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)co1 ZINC000809697136 586513444 /nfs/dbraw/zinc/51/34/44/586513444.db2.gz CEEVWJLGIKZSJM-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO COc1cccc(C[NH2+]Cc2nonc2C)n1 ZINC000809744699 586516295 /nfs/dbraw/zinc/51/62/95/586516295.db2.gz YUGVXWBFKZNORA-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCOC[C@@H]1CCO ZINC000809763997 586518638 /nfs/dbraw/zinc/51/86/38/586518638.db2.gz BZLNSKWLFUYHTG-JTQLQIEISA-N 1 2 242.344 1.035 20 0 BDADLO Cc1ncsc1C[N@H+]1CCOC[C@@H]1CCO ZINC000809763997 586518639 /nfs/dbraw/zinc/51/86/39/586518639.db2.gz BZLNSKWLFUYHTG-JTQLQIEISA-N 1 2 242.344 1.035 20 0 BDADLO CCCC[N@H+](CCOC)Cc1cnn(C)n1 ZINC000809947119 586525169 /nfs/dbraw/zinc/52/51/69/586525169.db2.gz ZXOXCYDITKZOOR-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1cnn(C)n1 ZINC000809947119 586525170 /nfs/dbraw/zinc/52/51/70/586525170.db2.gz ZXOXCYDITKZOOR-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO Cn1ncc(CSc2[nH+]cc3ccccn32)n1 ZINC000809951694 586525698 /nfs/dbraw/zinc/52/56/98/586525698.db2.gz MPCVFUFCUZGHHY-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO Cn1ncc(C[NH2+][C@H](c2cccnc2)C2CC2)n1 ZINC000809974985 586527968 /nfs/dbraw/zinc/52/79/68/586527968.db2.gz RJDVIPUAKUGXQL-ZDUSSCGKSA-N 1 2 243.314 1.451 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@](C)(CO)C(C)C ZINC000810076945 586531759 /nfs/dbraw/zinc/53/17/59/586531759.db2.gz PVCBBNVEELUIPQ-WCQYABFASA-N 1 2 245.363 1.715 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2CCOC2=O)CCC1(F)F ZINC000810044508 586532129 /nfs/dbraw/zinc/53/21/29/586532129.db2.gz BVEGNMQPNNGRJP-YUMQZZPRSA-N 1 2 219.231 1.279 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2CCOC2=O)CCC1(F)F ZINC000810044508 586532130 /nfs/dbraw/zinc/53/21/30/586532130.db2.gz BVEGNMQPNNGRJP-YUMQZZPRSA-N 1 2 219.231 1.279 20 0 BDADLO C[N@H+](CCNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC000810199891 586536803 /nfs/dbraw/zinc/53/68/03/586536803.db2.gz DOTHRSZCSYSQPL-ZETCQYMHSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+](CCNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC000810199891 586536805 /nfs/dbraw/zinc/53/68/05/586536805.db2.gz DOTHRSZCSYSQPL-ZETCQYMHSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+](CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC000810199891 586536807 /nfs/dbraw/zinc/53/68/07/586536807.db2.gz DOTHRSZCSYSQPL-ZETCQYMHSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+](CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC000810199891 586536808 /nfs/dbraw/zinc/53/68/08/586536808.db2.gz DOTHRSZCSYSQPL-ZETCQYMHSA-N 1 2 242.216 1.097 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]C2COC(C)(C)OC2)no1 ZINC000810236950 586537410 /nfs/dbraw/zinc/53/74/10/586537410.db2.gz OPYGLVWOCSRBQH-SECBINFHSA-N 1 2 240.303 1.785 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCSC1 ZINC000810719255 586545346 /nfs/dbraw/zinc/54/53/46/586545346.db2.gz DQAZVQGYINSTGE-SNVBAGLBSA-N 1 2 240.328 1.570 20 0 BDADLO Cc1cc(C)nc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000810755566 586546160 /nfs/dbraw/zinc/54/61/60/586546160.db2.gz VSTNCEDFXXACAQ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000811898969 586568389 /nfs/dbraw/zinc/56/83/89/586568389.db2.gz WUBQGSMFBTYNBF-VIFPVBQESA-N 1 2 236.319 1.408 20 0 BDADLO CC[N@H+](C[C@@H](C)OC)Cn1ncsc1=S ZINC000812301692 586572740 /nfs/dbraw/zinc/57/27/40/586572740.db2.gz KTYFISRBZKVQHU-MRVPVSSYSA-N 1 2 247.389 1.988 20 0 BDADLO CC[N@@H+](C[C@@H](C)OC)Cn1ncsc1=S ZINC000812301692 586572741 /nfs/dbraw/zinc/57/27/41/586572741.db2.gz KTYFISRBZKVQHU-MRVPVSSYSA-N 1 2 247.389 1.988 20 0 BDADLO CC[N@H+](Cn1cc[nH]c1=S)[C@H]1CCOC1 ZINC000812296829 586572768 /nfs/dbraw/zinc/57/27/68/586572768.db2.gz VDOLGVBZYNSXJO-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO CC[N@@H+](Cn1cc[nH]c1=S)[C@H]1CCOC1 ZINC000812296829 586572769 /nfs/dbraw/zinc/57/27/69/586572769.db2.gz VDOLGVBZYNSXJO-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NOC/C=C\Cl ZINC000812401078 586575740 /nfs/dbraw/zinc/57/57/40/586575740.db2.gz UYSYSEGUFPUSRE-RJRFIUFISA-N 1 2 229.667 1.143 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NOC/C=C\Cl ZINC000812401078 586575741 /nfs/dbraw/zinc/57/57/41/586575741.db2.gz UYSYSEGUFPUSRE-RJRFIUFISA-N 1 2 229.667 1.143 20 0 BDADLO O=C1O[C@@H](COc2cc[nH+]cc2)CC12CC2 ZINC000814266007 586620987 /nfs/dbraw/zinc/62/09/87/586620987.db2.gz UVADXQFQFCNSCE-SNVBAGLBSA-N 1 2 219.240 1.556 20 0 BDADLO COc1ccc2nc(C[N@@H+]3C[C@H](C)[C@@H]3C)[nH]c2n1 ZINC000815163487 586671175 /nfs/dbraw/zinc/67/11/75/586671175.db2.gz OQUJQPIVRLFJGO-IUCAKERBSA-N 1 2 246.314 1.807 20 0 BDADLO COc1ccc2nc(C[N@H+]3C[C@H](C)[C@@H]3C)[nH]c2n1 ZINC000815163487 586671176 /nfs/dbraw/zinc/67/11/76/586671176.db2.gz OQUJQPIVRLFJGO-IUCAKERBSA-N 1 2 246.314 1.807 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(C=O)c[nH]1 ZINC000815163083 586671401 /nfs/dbraw/zinc/67/14/01/586671401.db2.gz OJKDOSFLHAJYRR-UHFFFAOYSA-N 1 2 245.238 1.483 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnn(C)n2)CCCO1 ZINC000815313440 586678746 /nfs/dbraw/zinc/67/87/46/586678746.db2.gz HELOKCGLHXQHIV-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnn(C)n2)CCCO1 ZINC000815313440 586678748 /nfs/dbraw/zinc/67/87/48/586678748.db2.gz HELOKCGLHXQHIV-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1ncc(C[N@H+](CCO)C2CC2)c1Cl ZINC000816486887 586735848 /nfs/dbraw/zinc/73/58/48/586735848.db2.gz WDZDEBNWLDBLFI-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(C[N@@H+](CCO)C2CC2)c1Cl ZINC000816486887 586735850 /nfs/dbraw/zinc/73/58/50/586735850.db2.gz WDZDEBNWLDBLFI-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@@H](O)C2)c1Cl ZINC000816481433 586736354 /nfs/dbraw/zinc/73/63/54/586736354.db2.gz WHAWGQNRXUCVDN-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@@H](O)C2)c1Cl ZINC000816481433 586736355 /nfs/dbraw/zinc/73/63/55/586736355.db2.gz WHAWGQNRXUCVDN-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO O=C(C[C@@H]1CCCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000816652537 586752403 /nfs/dbraw/zinc/75/24/03/586752403.db2.gz NBTQSISHXRFNTN-JTQLQIEISA-N 1 2 249.314 1.254 20 0 BDADLO O=C(C[C@@H]1CCCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000816652537 586752405 /nfs/dbraw/zinc/75/24/05/586752405.db2.gz NBTQSISHXRFNTN-JTQLQIEISA-N 1 2 249.314 1.254 20 0 BDADLO O=C(C[C@H]1CCCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000816652538 586752991 /nfs/dbraw/zinc/75/29/91/586752991.db2.gz NBTQSISHXRFNTN-SNVBAGLBSA-N 1 2 249.314 1.254 20 0 BDADLO O=C(C[C@H]1CCCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000816652538 586752992 /nfs/dbraw/zinc/75/29/92/586752992.db2.gz NBTQSISHXRFNTN-SNVBAGLBSA-N 1 2 249.314 1.254 20 0 BDADLO Cn1ncc(C[NH+]2CC3(C2)CCOC3)c1Cl ZINC000816670083 586753676 /nfs/dbraw/zinc/75/36/76/586753676.db2.gz LKTSRDABLCPIJC-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816816121 586766207 /nfs/dbraw/zinc/76/62/07/586766207.db2.gz MVNMHMXOMQDTSC-AOOOYVTPSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1cnc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000816834545 586767140 /nfs/dbraw/zinc/76/71/40/586767140.db2.gz VVNMCXBTILUYIO-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO CCCN(CCC)C(=O)Cc1[nH]cc[nH+]1 ZINC000816840658 586767866 /nfs/dbraw/zinc/76/78/66/586767866.db2.gz XCSAXCRBSYHKRM-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(F)c1 ZINC000816840496 586767947 /nfs/dbraw/zinc/76/79/47/586767947.db2.gz QOHDSFSNEFHOOW-UHFFFAOYSA-N 1 2 219.219 1.730 20 0 BDADLO CN(Cc1ccccc1F)C(=O)Cc1[nH]cc[nH+]1 ZINC000816891759 586769682 /nfs/dbraw/zinc/76/96/82/586769682.db2.gz CEGFMZUDKUEWBO-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO CC(C)c1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000816902910 586770776 /nfs/dbraw/zinc/77/07/76/586770776.db2.gz LLAZMOUTBBSJEX-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816971832 586775878 /nfs/dbraw/zinc/77/58/78/586775878.db2.gz RNTVODDMLDMQBR-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000817232612 586788042 /nfs/dbraw/zinc/78/80/42/586788042.db2.gz KAJNVDALXZQKHL-JTQLQIEISA-N 1 2 220.272 1.617 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)[C@H]1CC12CC2 ZINC000817735221 586822919 /nfs/dbraw/zinc/82/29/19/586822919.db2.gz IAMOTSWKHGNWFL-LLVKDONJSA-N 1 2 246.310 1.991 20 0 BDADLO FCC[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000859909904 589070173 /nfs/dbraw/zinc/07/01/73/589070173.db2.gz ZDBAFLCTHXROOA-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO FCC[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000859909904 589070175 /nfs/dbraw/zinc/07/01/75/589070175.db2.gz ZDBAFLCTHXROOA-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO COc1cccc2c1CN(Cc1c[nH+]c[nH]1)C2 ZINC000859939670 589072105 /nfs/dbraw/zinc/07/21/05/589072105.db2.gz NSFKXBHTNKBDKU-UHFFFAOYSA-N 1 2 229.283 1.934 20 0 BDADLO COc1cccc2c1CN(Cc1c[nH]c[nH+]1)C2 ZINC000859939670 589072107 /nfs/dbraw/zinc/07/21/07/589072107.db2.gz NSFKXBHTNKBDKU-UHFFFAOYSA-N 1 2 229.283 1.934 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccc(C)o2)n1 ZINC000818221460 586879378 /nfs/dbraw/zinc/87/93/78/586879378.db2.gz MWBZFQFSLMMVCK-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CCn1cc(C[NH2+]Cc2nn(CC)nc2C)cn1 ZINC000818219996 586879951 /nfs/dbraw/zinc/87/99/51/586879951.db2.gz FEISSJPQDATULH-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cncs2)n1 ZINC000818221535 586880085 /nfs/dbraw/zinc/88/00/85/586880085.db2.gz PMGTUNDIYLJWLD-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C(F)=C1CCC1 ZINC000819022442 586924543 /nfs/dbraw/zinc/92/45/43/586924543.db2.gz NUFUJNUJMUTFRD-UHFFFAOYSA-N 1 2 237.278 1.786 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C(F)=C1CCC1 ZINC000819404840 586961940 /nfs/dbraw/zinc/96/19/40/586961940.db2.gz IDVWKPURSXQGKJ-SECBINFHSA-N 1 2 249.289 1.791 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C(F)=C1CCC1 ZINC000819404840 586961942 /nfs/dbraw/zinc/96/19/42/586961942.db2.gz IDVWKPURSXQGKJ-SECBINFHSA-N 1 2 249.289 1.791 20 0 BDADLO Cc1cc([NH+](C)C)ccc1NCCC(N)=O ZINC000819409162 586962007 /nfs/dbraw/zinc/96/20/07/586962007.db2.gz OFUGLGUMMFKHJG-UHFFFAOYSA-N 1 2 221.304 1.348 20 0 BDADLO Cc1cc(N(C)C)ccc1[NH2+]CCC(N)=O ZINC000819409162 586962008 /nfs/dbraw/zinc/96/20/08/586962008.db2.gz OFUGLGUMMFKHJG-UHFFFAOYSA-N 1 2 221.304 1.348 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2ccns2)[nH]1 ZINC000860058133 589077845 /nfs/dbraw/zinc/07/78/45/589077845.db2.gz HVCYYXJHYMJEOG-ZETCQYMHSA-N 1 2 237.332 1.674 20 0 BDADLO CS[C@H](C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775503 586991487 /nfs/dbraw/zinc/99/14/87/586991487.db2.gz CVRJLXVGRPRLLO-RQJHMYQMSA-N 1 2 232.374 1.736 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819781159 586993660 /nfs/dbraw/zinc/99/36/60/586993660.db2.gz MEIKJFZWDNCHOZ-CIUDSAMLSA-N 1 2 244.360 1.513 20 0 BDADLO CC/C(C)=C\C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819779648 586993926 /nfs/dbraw/zinc/99/39/26/586993926.db2.gz AHJDWFFXOZOIBW-TVSKSKRASA-N 1 2 212.318 1.950 20 0 BDADLO COC(C)(C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819779868 586994316 /nfs/dbraw/zinc/99/43/16/586994316.db2.gz AQWLYMDPMPJXPQ-ZETCQYMHSA-N 1 2 230.333 1.409 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc2[nH+]ccn21 ZINC000819795853 586995595 /nfs/dbraw/zinc/99/55/95/586995595.db2.gz SQYVEARHTDHTLP-JGPRNRPPSA-N 1 2 241.294 1.863 20 0 BDADLO CCn1ccc(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000820166139 587030757 /nfs/dbraw/zinc/03/07/57/587030757.db2.gz QIYXLZGUJIVJBR-UHFFFAOYSA-N 1 2 232.287 1.470 20 0 BDADLO CCn1ccc(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000820166139 587030760 /nfs/dbraw/zinc/03/07/60/587030760.db2.gz QIYXLZGUJIVJBR-UHFFFAOYSA-N 1 2 232.287 1.470 20 0 BDADLO C=C=CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000820189348 587033257 /nfs/dbraw/zinc/03/32/57/587033257.db2.gz BWLVIHALEOQWEK-UHFFFAOYSA-N 1 2 213.240 1.405 20 0 BDADLO Cc1nsc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000820367214 587045055 /nfs/dbraw/zinc/04/50/55/587045055.db2.gz NEBSEZGLVHKKBG-RNFRBKRXSA-N 1 2 249.299 1.312 20 0 BDADLO Cc1nsc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000820367214 587045056 /nfs/dbraw/zinc/04/50/56/587045056.db2.gz NEBSEZGLVHKKBG-RNFRBKRXSA-N 1 2 249.299 1.312 20 0 BDADLO C[C@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820985018 587086393 /nfs/dbraw/zinc/08/63/93/587086393.db2.gz OZSILHOZHGHABL-VIFPVBQESA-N 1 2 245.282 1.424 20 0 BDADLO CCOC(CN1CCn2c[nH+]cc2C1)OCC ZINC000821269754 587104649 /nfs/dbraw/zinc/10/46/49/587104649.db2.gz HECHRLITYPBTIU-UHFFFAOYSA-N 1 2 239.319 1.098 20 0 BDADLO Clc1cc(C[N@@H+]2CCn3cncc3C2)ccn1 ZINC000821272756 587104734 /nfs/dbraw/zinc/10/47/34/587104734.db2.gz XVTJYEMLRPNBPA-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cc(C[N@H+]2CCn3cncc3C2)ccn1 ZINC000821272756 587104735 /nfs/dbraw/zinc/10/47/35/587104735.db2.gz XVTJYEMLRPNBPA-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccsc1 ZINC000821485880 587122054 /nfs/dbraw/zinc/12/20/54/587122054.db2.gz LFMHBIXXHIPPOE-UHFFFAOYSA-N 1 2 235.312 1.373 20 0 BDADLO CC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)O ZINC000821555443 587127817 /nfs/dbraw/zinc/12/78/17/587127817.db2.gz AQARHYXNANZHNL-SCZZXKLOSA-N 1 2 247.298 1.452 20 0 BDADLO CCC(=O)OCCc1cn2ccccc2[nH+]1 ZINC000821594333 587131618 /nfs/dbraw/zinc/13/16/18/587131618.db2.gz JIFIMBQPWDFUPS-UHFFFAOYSA-N 1 2 218.256 1.830 20 0 BDADLO CON(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000821928043 587147082 /nfs/dbraw/zinc/14/70/82/587147082.db2.gz NYAGHNBVRCESPI-UHFFFAOYSA-N 1 2 217.272 1.866 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@]2(C)C=CCC2)c1 ZINC000822364343 587164124 /nfs/dbraw/zinc/16/41/24/587164124.db2.gz GHKFMZGJBPHBRM-ZDUSSCGKSA-N 1 2 233.315 1.435 20 0 BDADLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000822367267 587164265 /nfs/dbraw/zinc/16/42/65/587164265.db2.gz QHZCVLVWJGNLBO-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000822695352 587181375 /nfs/dbraw/zinc/18/13/75/587181375.db2.gz CPSHFOLGSUEREA-QMMMGPOBSA-N 1 2 239.275 1.290 20 0 BDADLO CC[C@](C)(O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823056468 587200259 /nfs/dbraw/zinc/20/02/59/587200259.db2.gz BFMCEKWMHMISFZ-ZDUSSCGKSA-N 1 2 236.315 1.476 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(Cl)o2)no1 ZINC000823088583 587202050 /nfs/dbraw/zinc/20/20/50/587202050.db2.gz LRPLEGZLZVAWEA-YFKPBYRVSA-N 1 2 243.650 1.629 20 0 BDADLO O=C(N[C@H]1CC12CC2)c1cc2c[nH+]ccc2[nH]1 ZINC000823228246 587210038 /nfs/dbraw/zinc/21/00/38/587210038.db2.gz XQKJYRRDORLGFN-NSHDSACASA-N 1 2 227.267 1.845 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H](F)[C@@H](F)C1 ZINC000823331580 587217023 /nfs/dbraw/zinc/21/70/23/587217023.db2.gz YZJKPIGSNJZJBN-BGZDPUMWSA-N 1 2 241.241 1.032 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H](F)[C@@H](F)C1 ZINC000823331580 587217024 /nfs/dbraw/zinc/21/70/24/587217024.db2.gz YZJKPIGSNJZJBN-BGZDPUMWSA-N 1 2 241.241 1.032 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000823395334 587219760 /nfs/dbraw/zinc/21/97/60/587219760.db2.gz TVEKIUWPIWCEBZ-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000823395334 587219761 /nfs/dbraw/zinc/21/97/61/587219761.db2.gz TVEKIUWPIWCEBZ-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)ncc2F)CC[C@@H]1O ZINC000824214565 587260849 /nfs/dbraw/zinc/26/08/49/587260849.db2.gz FSYPJGAKNYWBFA-KWQFWETISA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)ncc2F)CC[C@@H]1O ZINC000824214565 587260850 /nfs/dbraw/zinc/26/08/50/587260850.db2.gz FSYPJGAKNYWBFA-KWQFWETISA-N 1 2 242.269 1.563 20 0 BDADLO CC(C)CCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000824257486 587263417 /nfs/dbraw/zinc/26/34/17/587263417.db2.gz WUUVTDNUKSXZFA-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000824330249 587266458 /nfs/dbraw/zinc/26/64/58/587266458.db2.gz WMOHPHFOEMOWCN-UHFFFAOYSA-N 1 2 243.351 1.059 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000824330249 587266459 /nfs/dbraw/zinc/26/64/59/587266459.db2.gz WMOHPHFOEMOWCN-UHFFFAOYSA-N 1 2 243.351 1.059 20 0 BDADLO CC[C@H](C)CCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824918417 587293674 /nfs/dbraw/zinc/29/36/74/587293674.db2.gz VIVOTBBCEQGSLF-GZTOBOFZSA-N 1 2 235.331 1.986 20 0 BDADLO CO[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000825140991 587306635 /nfs/dbraw/zinc/30/66/35/587306635.db2.gz OERGOZFTVMHIDU-QMMMGPOBSA-N 1 2 233.271 1.328 20 0 BDADLO CCN(c1[nH+]ccc(C)c1-c1nn[nH]n1)C(C)C ZINC000825444086 587319954 /nfs/dbraw/zinc/31/99/54/587319954.db2.gz IRSFALVSVYYBSU-UHFFFAOYSA-N 1 2 246.318 1.805 20 0 BDADLO O=Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)co1 ZINC000825512363 587322727 /nfs/dbraw/zinc/32/27/27/587322727.db2.gz CEIQWMQRUUBPNF-SNVBAGLBSA-N 1 2 245.238 1.163 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)C=CCC1 ZINC000825514051 587322809 /nfs/dbraw/zinc/32/28/09/587322809.db2.gz XPQBQUCQYBJWHM-MFKMUULPSA-N 1 2 231.299 1.800 20 0 BDADLO C[C@@H](O)C1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000825677124 587331166 /nfs/dbraw/zinc/33/11/66/587331166.db2.gz AANDNANPJNXCOD-MRVPVSSYSA-N 1 2 245.282 1.206 20 0 BDADLO Cc1nocc1C(=O)OCCCn1cc[nH+]c1 ZINC000860431631 589099127 /nfs/dbraw/zinc/09/91/27/589099127.db2.gz BBBFLMYHRDXFOQ-UHFFFAOYSA-N 1 2 235.243 1.427 20 0 BDADLO CCO[C@@H](C(=O)OCCn1cc[nH+]c1)C(C)C ZINC000860369931 589096722 /nfs/dbraw/zinc/09/67/22/589096722.db2.gz YLHYDDCULBVQPS-LLVKDONJSA-N 1 2 240.303 1.487 20 0 BDADLO CCO[C@H](C(=O)OCCn1cc[nH+]c1)C(C)C ZINC000860369932 589096876 /nfs/dbraw/zinc/09/68/76/589096876.db2.gz YLHYDDCULBVQPS-NSHDSACASA-N 1 2 240.303 1.487 20 0 BDADLO Cc1ccc(-c2nn[nH]n2)c(N2CC=CCC2)[nH+]1 ZINC000826274644 587351427 /nfs/dbraw/zinc/35/14/27/587351427.db2.gz YJLDOBILGCRCHJ-UHFFFAOYSA-N 1 2 242.286 1.336 20 0 BDADLO Cc1cc[nH+]c(N2CC=CCC2)c1-c1nn[nH]n1 ZINC000826309823 587352088 /nfs/dbraw/zinc/35/20/88/587352088.db2.gz CNPMHXYDGGSJEJ-UHFFFAOYSA-N 1 2 242.286 1.336 20 0 BDADLO Cc1cc[nH+]c(N2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000826309962 587352430 /nfs/dbraw/zinc/35/24/30/587352430.db2.gz HSUNVIJYDCKELE-SECBINFHSA-N 1 2 244.302 1.559 20 0 BDADLO C[C@]1(C2CC2)C[N@H+](Cc2cncnc2)CCO1 ZINC000826877586 587364745 /nfs/dbraw/zinc/36/47/45/587364745.db2.gz JUCVWCUUXONFIJ-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO C[C@]1(C2CC2)C[N@@H+](Cc2cncnc2)CCO1 ZINC000826877586 587364746 /nfs/dbraw/zinc/36/47/46/587364746.db2.gz JUCVWCUUXONFIJ-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@@H]2C1 ZINC000827050208 587369041 /nfs/dbraw/zinc/36/90/41/587369041.db2.gz CAEVWSUTQWKXOO-AOOOYVTPSA-N 1 2 227.267 1.655 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000827252662 587374245 /nfs/dbraw/zinc/37/42/45/587374245.db2.gz QXYNKSMERRPQDM-QJSMKMSWSA-N 1 2 249.314 1.117 20 0 BDADLO COC[C@H]1CCCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000827416281 587380446 /nfs/dbraw/zinc/38/04/46/587380446.db2.gz QOFRZWFOOIYXJZ-FOQNGQEVSA-N 1 2 249.314 1.071 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000827431693 587380959 /nfs/dbraw/zinc/38/09/59/587380959.db2.gz SFIAJAVAHLCUFV-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO CCC(F)(F)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000827658107 587394717 /nfs/dbraw/zinc/39/47/17/587394717.db2.gz VJXCSTNEDZNDTM-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO CC(C)CC(=O)CC[N@H+](C)Cc1cc[nH]n1 ZINC000827920367 587409769 /nfs/dbraw/zinc/40/97/69/587409769.db2.gz YJDSBOXBSFWJMZ-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC(C)CC(=O)CC[N@@H+](C)Cc1cc[nH]n1 ZINC000827920367 587409770 /nfs/dbraw/zinc/40/97/70/587409770.db2.gz YJDSBOXBSFWJMZ-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C[NH+](C)C(C)(C)C[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000827996574 587416113 /nfs/dbraw/zinc/41/61/13/587416113.db2.gz ZKXWBTFZNMRBJQ-UHFFFAOYSA-N 1 2 243.351 1.059 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000828011557 587416287 /nfs/dbraw/zinc/41/62/87/587416287.db2.gz LMUTWCOHIVQKFJ-YPMHNXCESA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000828011557 587416289 /nfs/dbraw/zinc/41/62/89/587416289.db2.gz LMUTWCOHIVQKFJ-YPMHNXCESA-N 1 2 243.347 1.073 20 0 BDADLO CCCONC(=O)NCc1c[nH+]c(C)cc1C ZINC000828338374 587437038 /nfs/dbraw/zinc/43/70/38/587437038.db2.gz KJTPHWWDVYKVQT-UHFFFAOYSA-N 1 2 237.303 1.839 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCc1c[nH+]c[nH]1 ZINC000828361198 587438595 /nfs/dbraw/zinc/43/85/95/587438595.db2.gz OJVWTCXEUVOBHT-LLVKDONJSA-N 1 2 227.283 1.944 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCc1c[nH]c[nH+]1 ZINC000828361198 587438597 /nfs/dbraw/zinc/43/85/97/587438597.db2.gz OJVWTCXEUVOBHT-LLVKDONJSA-N 1 2 227.283 1.944 20 0 BDADLO CC(C)OCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828490269 587445684 /nfs/dbraw/zinc/44/56/84/587445684.db2.gz AGWBOKPSEAWREE-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CCc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000828496980 587445982 /nfs/dbraw/zinc/44/59/82/587445982.db2.gz NMSBMNUDTXDLHW-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CS[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828931484 587472780 /nfs/dbraw/zinc/47/27/80/587472780.db2.gz VQVWHBOKZXBWGC-BDAKNGLRSA-N 1 2 239.344 1.353 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CC23CCC3)c1 ZINC000828944372 587474168 /nfs/dbraw/zinc/47/41/68/587474168.db2.gz IOYWQZDFOUYZQH-UFFNRZRYSA-N 1 2 231.299 1.492 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000829050899 587480566 /nfs/dbraw/zinc/48/05/66/587480566.db2.gz BJTODLYMEZHNSM-UHFFFAOYSA-N 1 2 239.706 1.042 20 0 BDADLO COCCC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829084554 587482506 /nfs/dbraw/zinc/48/25/06/587482506.db2.gz JLFCCEHNZGNTPF-UHFFFAOYSA-N 1 2 249.314 1.210 20 0 BDADLO C[C@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000829136317 587484201 /nfs/dbraw/zinc/48/42/01/587484201.db2.gz LJRVUBITYBDCDR-QMMMGPOBSA-N 1 2 215.256 1.797 20 0 BDADLO FCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829148701 587485050 /nfs/dbraw/zinc/48/50/50/587485050.db2.gz QYOGXYHDOAQGIB-UHFFFAOYSA-N 1 2 229.686 1.848 20 0 BDADLO FCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829148701 587485051 /nfs/dbraw/zinc/48/50/51/587485051.db2.gz QYOGXYHDOAQGIB-UHFFFAOYSA-N 1 2 229.686 1.848 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169349 587486333 /nfs/dbraw/zinc/48/63/33/587486333.db2.gz MXZHTIGAZCQDBO-MRVPVSSYSA-N 1 2 241.722 1.523 20 0 BDADLO CO[C@H](C)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169349 587486335 /nfs/dbraw/zinc/48/63/35/587486335.db2.gz MXZHTIGAZCQDBO-MRVPVSSYSA-N 1 2 241.722 1.523 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@@]2(C)CC2(C)C)c1 ZINC000829175424 587486366 /nfs/dbraw/zinc/48/63/66/587486366.db2.gz QFAVUTMGYBIXOA-VBROQKIQSA-N 1 2 247.342 1.986 20 0 BDADLO Clc1cc2c(nn1)C[N@@H+]([C@H]1CCOC1)CC2 ZINC000829169665 587486555 /nfs/dbraw/zinc/48/65/55/587486555.db2.gz QWCMZITUZLXCFZ-VIFPVBQESA-N 1 2 239.706 1.277 20 0 BDADLO Clc1cc2c(nn1)C[N@H+]([C@H]1CCOC1)CC2 ZINC000829169665 587486556 /nfs/dbraw/zinc/48/65/56/587486556.db2.gz QWCMZITUZLXCFZ-VIFPVBQESA-N 1 2 239.706 1.277 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCC(F)(F)F ZINC000829335360 587493365 /nfs/dbraw/zinc/49/33/65/587493365.db2.gz OGBGXTNUIXJMAG-UHFFFAOYSA-N 1 2 235.209 1.411 20 0 BDADLO CC(C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829394065 587495497 /nfs/dbraw/zinc/49/54/97/587495497.db2.gz MSSFDJYHDFAXMC-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)CCC3CC3)cc2C1 ZINC000829445787 587497669 /nfs/dbraw/zinc/49/76/69/587497669.db2.gz DSSNQARJUFJNOI-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)CCC3CC3)cc2C1 ZINC000829445787 587497671 /nfs/dbraw/zinc/49/76/71/587497671.db2.gz DSSNQARJUFJNOI-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC1CCC1 ZINC000829929636 587528832 /nfs/dbraw/zinc/52/88/32/587528832.db2.gz RWTKNQQAVNELJA-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000829987943 587531473 /nfs/dbraw/zinc/53/14/73/587531473.db2.gz LJPHJFGEFDSQPO-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000830657688 587562741 /nfs/dbraw/zinc/56/27/41/587562741.db2.gz FYQWTVRSTDPHSP-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO OC[C@]1(F)C[N@H+](CCF)C[C@@H]1c1ccccc1 ZINC000830738463 587565933 /nfs/dbraw/zinc/56/59/33/587565933.db2.gz GAQCVKGDLAEQHH-CHWSQXEVSA-N 1 2 241.281 1.756 20 0 BDADLO OC[C@]1(F)C[N@@H+](CCF)C[C@@H]1c1ccccc1 ZINC000830738463 587565935 /nfs/dbraw/zinc/56/59/35/587565935.db2.gz GAQCVKGDLAEQHH-CHWSQXEVSA-N 1 2 241.281 1.756 20 0 BDADLO CCn1ccc(C(=O)OCCc2c[nH+]cn2C)n1 ZINC000830750069 587566931 /nfs/dbraw/zinc/56/69/31/587566931.db2.gz VOEYORAQTFYMCK-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO Nc1cc(COC(=O)C2(F)CC2)cc[nH+]1 ZINC000830755690 587567760 /nfs/dbraw/zinc/56/77/60/587567760.db2.gz XGTQIDSTNWTLQC-UHFFFAOYSA-N 1 2 210.208 1.209 20 0 BDADLO CC(C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830919883 587577753 /nfs/dbraw/zinc/57/77/53/587577753.db2.gz MLIOPTDVVMGGGP-VIFPVBQESA-N 1 2 209.293 1.503 20 0 BDADLO Cc1cnccc1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000831180077 587589413 /nfs/dbraw/zinc/58/94/13/587589413.db2.gz JBNPHMVVFVTVBX-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000831205286 587591714 /nfs/dbraw/zinc/59/17/14/587591714.db2.gz ULELCSMMMMHAMK-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000831308496 587597108 /nfs/dbraw/zinc/59/71/08/587597108.db2.gz NCOCWJAJJHDYMI-HBNTYKKESA-N 1 2 239.315 1.239 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+]CC(=O)OCC(C)C)C1(C)C ZINC000831337938 587598728 /nfs/dbraw/zinc/59/87/28/587598728.db2.gz CEFDITKPMHOWIK-WDEREUQCSA-N 1 2 243.347 1.589 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC1CC=CC1 ZINC000831433142 587606337 /nfs/dbraw/zinc/60/63/37/587606337.db2.gz IZXBINACAPOZHL-UHFFFAOYSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC1CC=CC1 ZINC000831433142 587606338 /nfs/dbraw/zinc/60/63/38/587606338.db2.gz IZXBINACAPOZHL-UHFFFAOYSA-N 1 2 233.315 1.815 20 0 BDADLO CC[C@H]1CC[C@@H](C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000831633925 587625104 /nfs/dbraw/zinc/62/51/04/587625104.db2.gz KTHBRKPNKVUYBT-ZJUUUORDSA-N 1 2 221.304 1.742 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000831745743 587629582 /nfs/dbraw/zinc/62/95/82/587629582.db2.gz ZJZLIFISFWMWPH-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CCCCO1 ZINC000831913317 587636407 /nfs/dbraw/zinc/63/64/07/587636407.db2.gz NZNKFMHQDPBJSH-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCO[C@H]1C1CC1 ZINC000832126616 587645629 /nfs/dbraw/zinc/64/56/29/587645629.db2.gz PAYFTKGTUQEXPC-QWHCGFSZSA-N 1 2 249.314 1.026 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000832165338 587647469 /nfs/dbraw/zinc/64/74/69/587647469.db2.gz SWQCWFJGXLXODK-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CC1(C)CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000832557154 587666509 /nfs/dbraw/zinc/66/65/09/587666509.db2.gz AJTYYNHLPRXNIY-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO CC(C)(CC(F)(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832665636 587675543 /nfs/dbraw/zinc/67/55/43/587675543.db2.gz HCQLSYOSCZPORP-UHFFFAOYSA-N 1 2 249.236 1.799 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC2(CC2)C1 ZINC000833323034 587705629 /nfs/dbraw/zinc/70/56/29/587705629.db2.gz WMMLAJCTGDRZRR-UHFFFAOYSA-N 1 2 227.267 1.570 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCS1 ZINC000834626133 587761737 /nfs/dbraw/zinc/76/17/37/587761737.db2.gz HBFHMPYOQTYYDJ-DTWKUNHWSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000834626133 587761738 /nfs/dbraw/zinc/76/17/38/587761738.db2.gz HBFHMPYOQTYYDJ-DTWKUNHWSA-N 1 2 239.344 1.353 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CSC(F)F ZINC000835194066 587788258 /nfs/dbraw/zinc/78/82/58/587788258.db2.gz PNDYGCLUYCXDMH-UHFFFAOYSA-N 1 2 236.243 1.419 20 0 BDADLO CC(C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836184013 587827980 /nfs/dbraw/zinc/82/79/80/587827980.db2.gz SSTAMGUIXDHUGS-SNVBAGLBSA-N 1 2 236.319 1.673 20 0 BDADLO CCONC(=O)NCc1c[nH+]c(C)cc1C ZINC000836195651 587828305 /nfs/dbraw/zinc/82/83/05/587828305.db2.gz MEHPLWVNZVLLKS-UHFFFAOYSA-N 1 2 223.276 1.449 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)=C(C)C ZINC000836806631 587838156 /nfs/dbraw/zinc/83/81/56/587838156.db2.gz FTDFAMJTHGNGOO-UHFFFAOYSA-N 1 2 221.304 1.876 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867195995 587839996 /nfs/dbraw/zinc/83/99/96/587839996.db2.gz NFYQYHBDFKEBMW-IQJOONFLSA-N 1 2 237.303 1.233 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2cnsn2)c2[nH+]ccn21 ZINC000836953914 587843763 /nfs/dbraw/zinc/84/37/63/587843763.db2.gz JEVINYYXZHVJKX-RQJHMYQMSA-N 1 2 249.299 1.170 20 0 BDADLO Cc1[nH]ccc1C(=O)OCCc1c[nH+]cn1C ZINC000837561484 587881949 /nfs/dbraw/zinc/88/19/49/587881949.db2.gz BVNJTFJJWIZJQP-UHFFFAOYSA-N 1 2 233.271 1.456 20 0 BDADLO CC/C(C)=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC000837718771 587892082 /nfs/dbraw/zinc/89/20/82/587892082.db2.gz BDHZZKXQEQMOGT-JXMROGBWSA-N 1 2 221.304 1.435 20 0 BDADLO CC/C(C)=C\C(=O)NCCc1cn(C)c[nH+]1 ZINC000837718772 587892232 /nfs/dbraw/zinc/89/22/32/587892232.db2.gz BDHZZKXQEQMOGT-YFHOEESVSA-N 1 2 221.304 1.435 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1-c1cccnc1)C1CC1 ZINC000840751993 587919387 /nfs/dbraw/zinc/91/93/87/587919387.db2.gz VVWLNLMPMGBFON-LBPRGKRZSA-N 1 2 229.283 1.716 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)nn1 ZINC000840935972 587930561 /nfs/dbraw/zinc/93/05/61/587930561.db2.gz CVJZWXTWJIYGEV-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)nn1 ZINC000840935972 587930562 /nfs/dbraw/zinc/93/05/62/587930562.db2.gz CVJZWXTWJIYGEV-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)c1ccccc1)OC ZINC000842012958 587989104 /nfs/dbraw/zinc/98/91/04/587989104.db2.gz CXKHXPLFOYXCIT-NSHDSACASA-N 1 2 222.288 1.958 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)Cc1cccnc1)OC ZINC000842037126 587992170 /nfs/dbraw/zinc/99/21/70/587992170.db2.gz VQIXCRNFOXPCPA-NSHDSACASA-N 1 2 237.303 1.548 20 0 BDADLO Cc1cncc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000842047470 587992724 /nfs/dbraw/zinc/99/27/24/587992724.db2.gz OLQREVIAMFQMSO-NSHDSACASA-N 1 2 235.287 1.567 20 0 BDADLO COc1cc[nH+]cc1CONC(=O)C1CC1 ZINC000842107140 588000581 /nfs/dbraw/zinc/00/05/81/588000581.db2.gz PPVOGNBTDJYHEM-UHFFFAOYSA-N 1 2 222.244 1.048 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000842162984 588005422 /nfs/dbraw/zinc/00/54/22/588005422.db2.gz DCLUGSRMYNDPOJ-GJMOJQLCSA-N 1 2 221.247 1.571 20 0 BDADLO CO[C@H](CC(C)C)C(=O)OCc1c[nH+]cn1C ZINC000842313820 588016477 /nfs/dbraw/zinc/01/64/77/588016477.db2.gz QOAOOOPYDVZIJJ-LLVKDONJSA-N 1 2 240.303 1.524 20 0 BDADLO CCc1nn(C[N@@H+]2CCC[C@@H]2C)c(=O)n1CC ZINC000842598313 588044998 /nfs/dbraw/zinc/04/49/98/588044998.db2.gz IKMQUPVFIYVSTO-JTQLQIEISA-N 1 2 238.335 1.069 20 0 BDADLO CCc1nn(C[N@H+]2CCC[C@@H]2C)c(=O)n1CC ZINC000842598313 588044999 /nfs/dbraw/zinc/04/49/99/588044999.db2.gz IKMQUPVFIYVSTO-JTQLQIEISA-N 1 2 238.335 1.069 20 0 BDADLO C[C@H]1C[N@H+](CN2CCCC2=O)CC2(CCC2)O1 ZINC000842638508 588047249 /nfs/dbraw/zinc/04/72/49/588047249.db2.gz CAKINQWVEHFJNO-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCCC2=O)CC2(CCC2)O1 ZINC000842638508 588047250 /nfs/dbraw/zinc/04/72/50/588047250.db2.gz CAKINQWVEHFJNO-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO CSCSC[C@@H]1C[N@H+](C)CCO1 ZINC000842653721 588049500 /nfs/dbraw/zinc/04/95/00/588049500.db2.gz RIORHSCTCKNNBJ-QMMMGPOBSA-N 1 2 207.364 1.371 20 0 BDADLO CSCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000842653721 588049502 /nfs/dbraw/zinc/04/95/02/588049502.db2.gz RIORHSCTCKNNBJ-QMMMGPOBSA-N 1 2 207.364 1.371 20 0 BDADLO CC(C)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842657995 588050016 /nfs/dbraw/zinc/05/00/16/588050016.db2.gz VQNAEQSUQCOYEZ-JTQLQIEISA-N 1 2 230.308 1.336 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(CO)cc2)n1 ZINC000842732686 588057016 /nfs/dbraw/zinc/05/70/16/588057016.db2.gz OFAGUKZNKZKTPI-UHFFFAOYSA-N 1 2 246.314 1.080 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)OCC2CC2)n1 ZINC000843145298 588086786 /nfs/dbraw/zinc/08/67/86/588086786.db2.gz IRQCNOKKAQPUII-QMMMGPOBSA-N 1 2 225.292 1.667 20 0 BDADLO COc1ncncc1C[NH+]1CCC(F)(F)CC1 ZINC000843406142 588106951 /nfs/dbraw/zinc/10/69/51/588106951.db2.gz GJFGHJJXTRKTBZ-UHFFFAOYSA-N 1 2 243.257 1.716 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000843414905 588107577 /nfs/dbraw/zinc/10/75/77/588107577.db2.gz FMHNQLLSGNMKEJ-WNYYMSAVSA-N 1 2 243.347 1.731 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000843427583 588108746 /nfs/dbraw/zinc/10/87/46/588108746.db2.gz HUGUIAKVQLHRJB-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000843427583 588108748 /nfs/dbraw/zinc/10/87/48/588108748.db2.gz HUGUIAKVQLHRJB-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)nn1 ZINC000843432456 588109296 /nfs/dbraw/zinc/10/92/96/588109296.db2.gz MAADCKZYNSJKTR-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)nn1 ZINC000843432456 588109297 /nfs/dbraw/zinc/10/92/97/588109297.db2.gz MAADCKZYNSJKTR-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1(F)CC1 ZINC000843571101 588124696 /nfs/dbraw/zinc/12/46/96/588124696.db2.gz PURJKCDFAUPBBD-JTQLQIEISA-N 1 2 249.289 1.279 20 0 BDADLO CC/C(C)=C/C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883827 588147290 /nfs/dbraw/zinc/14/72/90/588147290.db2.gz LOASGUFYGPKRID-VMPITWQZSA-N 1 2 234.303 1.340 20 0 BDADLO CCC/C=C/C(=O)NCc1c[nH+]c(C)nc1N ZINC000843884523 588147524 /nfs/dbraw/zinc/14/75/24/588147524.db2.gz SNBCRGXURDONLK-AATRIKPKSA-N 1 2 234.303 1.340 20 0 BDADLO Cc1nnsc1COCc1[nH]cc[nH+]1 ZINC000844236725 588176267 /nfs/dbraw/zinc/17/62/67/588176267.db2.gz KPITYSAGTATCQI-UHFFFAOYSA-N 1 2 210.262 1.286 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844450355 588195241 /nfs/dbraw/zinc/19/52/41/588195241.db2.gz LALARNBPDDYZIS-OCAPTIKFSA-N 1 2 214.215 1.680 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844450355 588195242 /nfs/dbraw/zinc/19/52/42/588195242.db2.gz LALARNBPDDYZIS-OCAPTIKFSA-N 1 2 214.215 1.680 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450963 588195341 /nfs/dbraw/zinc/19/53/41/588195341.db2.gz HZHMSPCLOXFXJN-NJUXHZRNSA-N 1 2 229.230 1.636 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450963 588195343 /nfs/dbraw/zinc/19/53/43/588195343.db2.gz HZHMSPCLOXFXJN-NJUXHZRNSA-N 1 2 229.230 1.636 20 0 BDADLO Fc1cnccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460228 588196990 /nfs/dbraw/zinc/19/69/90/588196990.db2.gz DOGIKHSOYDASHN-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO Fc1cnccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460228 588196991 /nfs/dbraw/zinc/19/69/91/588196991.db2.gz DOGIKHSOYDASHN-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO CCOCC[N@H+](C)CN1C(=O)CC12CCCC2 ZINC000844700125 588213338 /nfs/dbraw/zinc/21/33/38/588213338.db2.gz ZZIFLMFIXNIUPL-UHFFFAOYSA-N 1 2 240.347 1.457 20 0 BDADLO CCOCC[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844700125 588213339 /nfs/dbraw/zinc/21/33/39/588213339.db2.gz ZZIFLMFIXNIUPL-UHFFFAOYSA-N 1 2 240.347 1.457 20 0 BDADLO COCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845274722 588225139 /nfs/dbraw/zinc/22/51/39/588225139.db2.gz AENUEQDTKYDTMU-VIFPVBQESA-N 1 2 212.249 1.024 20 0 BDADLO C/C=C\COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845277572 588225173 /nfs/dbraw/zinc/22/51/73/588225173.db2.gz HTXUHFPKBNZHAH-XOULXFPDSA-N 1 2 208.261 1.954 20 0 BDADLO C[C@H](CC(=O)OCCCF)n1cc[nH+]c1 ZINC000845283124 588225391 /nfs/dbraw/zinc/22/53/91/588225391.db2.gz SVMGJOCABHZWCG-SECBINFHSA-N 1 2 214.240 1.737 20 0 BDADLO CO[C@@H](C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283624 588225926 /nfs/dbraw/zinc/22/59/26/588225926.db2.gz FJNOSSPFJBOOCD-ZJUUUORDSA-N 1 2 226.276 1.412 20 0 BDADLO COC/C(C)=C\C(=O)OCc1c[nH+]cn1C ZINC000845479398 588229928 /nfs/dbraw/zinc/22/99/28/588229928.db2.gz NIHYVENPRHSBQF-WTKPLQERSA-N 1 2 224.260 1.056 20 0 BDADLO C[C@@H](CC(=O)OC1CCOCC1)n1cc[nH+]c1 ZINC000845498763 588231037 /nfs/dbraw/zinc/23/10/37/588231037.db2.gz BPCZINFUQVZMDE-JTQLQIEISA-N 1 2 238.287 1.556 20 0 BDADLO C[C@H](CC(=O)NOCC(F)F)n1cc[nH+]c1 ZINC000845945066 588251309 /nfs/dbraw/zinc/25/13/09/588251309.db2.gz WVWGCOOIZNAMPM-SSDOTTSWSA-N 1 2 233.218 1.147 20 0 BDADLO CC[C@H](NC(=O)C=C(C)COC)c1[nH]cc[nH+]1 ZINC000845953724 588251571 /nfs/dbraw/zinc/25/15/71/588251571.db2.gz ZIJCDAYEUBCRGJ-PCYYEKQGSA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@H](NC(=O)/C=C(\C)COC)c1[nH]cc[nH+]1 ZINC000845953724 588251572 /nfs/dbraw/zinc/25/15/72/588251572.db2.gz ZIJCDAYEUBCRGJ-PCYYEKQGSA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(C)nn2)[C@H](C)CO1 ZINC000846044202 588254723 /nfs/dbraw/zinc/25/47/23/588254723.db2.gz FMBRQXMCBHAECZ-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(C)nn2)[C@H](C)CO1 ZINC000846044202 588254724 /nfs/dbraw/zinc/25/47/24/588254724.db2.gz FMBRQXMCBHAECZ-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000846088112 588255735 /nfs/dbraw/zinc/25/57/35/588255735.db2.gz HBMYYYRQIYYYQX-WDEREUQCSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000846087474 588255829 /nfs/dbraw/zinc/25/58/29/588255829.db2.gz UDRUFKOAKBTCPX-NWDGAFQWSA-N 1 2 240.347 1.636 20 0 BDADLO CC[C@@H](C)CONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846213496 588260178 /nfs/dbraw/zinc/26/01/78/588260178.db2.gz PLRWPMGQFRDDRI-MNOVXSKESA-N 1 2 239.319 1.928 20 0 BDADLO CC(C)(NC(=O)C1=COCC1)c1[nH]cc[nH+]1 ZINC000846246318 588262450 /nfs/dbraw/zinc/26/24/50/588262450.db2.gz OGYOCAUGGOEZPI-UHFFFAOYSA-N 1 2 221.260 1.065 20 0 BDADLO CC(C)(NC(=O)/C=C\[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000846248931 588262862 /nfs/dbraw/zinc/26/28/62/588262862.db2.gz ZUPYAEOFYJAVOP-WWQCOOJYSA-N 1 2 249.314 1.496 20 0 BDADLO COCCOC[C@@H](C)Nc1c[nH+]cc(C)c1 ZINC000846751411 588285211 /nfs/dbraw/zinc/28/52/11/588285211.db2.gz STJLCYDHSBPVBQ-LLVKDONJSA-N 1 2 224.304 1.853 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000846831310 588291581 /nfs/dbraw/zinc/29/15/81/588291581.db2.gz IOIICHLYQHOWPI-VIFPVBQESA-N 1 2 241.316 1.066 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC000846831310 588291582 /nfs/dbraw/zinc/29/15/82/588291582.db2.gz IOIICHLYQHOWPI-VIFPVBQESA-N 1 2 241.316 1.066 20 0 BDADLO c1nsnc1C[NH+]1CCC2(CCOC2)CC1 ZINC000846836941 588291813 /nfs/dbraw/zinc/29/18/13/588291813.db2.gz JNLOLPFHLSRXTF-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cnsn2)C1 ZINC000846856282 588293869 /nfs/dbraw/zinc/29/38/69/588293869.db2.gz AHJBKTNHHAWCDU-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2cnsn2)C1 ZINC000846856282 588293870 /nfs/dbraw/zinc/29/38/70/588293870.db2.gz AHJBKTNHHAWCDU-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1C[N@H+](CC2(Br)CC2)CCC1=O ZINC000846861785 588293945 /nfs/dbraw/zinc/29/39/45/588293945.db2.gz NFOHKAHKJKJMOL-MRVPVSSYSA-N 1 2 246.148 1.825 20 0 BDADLO C[C@@H]1C[N@@H+](CC2(Br)CC2)CCC1=O ZINC000846861785 588293946 /nfs/dbraw/zinc/29/39/46/588293946.db2.gz NFOHKAHKJKJMOL-MRVPVSSYSA-N 1 2 246.148 1.825 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CCCC23CCC3)n1 ZINC000846877593 588294719 /nfs/dbraw/zinc/29/47/19/588294719.db2.gz AIPKCUALIGHIMM-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CCCC23CCC3)n1 ZINC000846877593 588294720 /nfs/dbraw/zinc/29/47/20/588294720.db2.gz AIPKCUALIGHIMM-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cnsn2)C12CCCC2 ZINC000846926177 588297110 /nfs/dbraw/zinc/29/71/10/588297110.db2.gz UOWKCKOWUNPEPY-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cnsn2)C12CCCC2 ZINC000846926177 588297111 /nfs/dbraw/zinc/29/71/11/588297111.db2.gz UOWKCKOWUNPEPY-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C(C)=O)CC2)[nH]1 ZINC000846946118 588298125 /nfs/dbraw/zinc/29/81/25/588298125.db2.gz GWCIDQZAZAQTIU-UHFFFAOYSA-N 1 2 236.319 1.168 20 0 BDADLO CCCOC(=O)[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846951952 588298349 /nfs/dbraw/zinc/29/83/49/588298349.db2.gz UFPKIFPCFPJXIE-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO CON1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC000846970360 588299089 /nfs/dbraw/zinc/29/90/89/588299089.db2.gz FAFNRBKPVDIRRC-NSHDSACASA-N 1 2 236.319 1.025 20 0 BDADLO CON1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000846975779 588299977 /nfs/dbraw/zinc/29/99/77/588299977.db2.gz GEBNUXSRJDXQTH-UHFFFAOYSA-N 1 2 246.314 1.013 20 0 BDADLO CC1(NC(=O)N[C@H]2CCn3cc[nH+]c32)CC=CC1 ZINC000847378519 588311853 /nfs/dbraw/zinc/31/18/53/588311853.db2.gz MYBWYHXZVGTOCY-JTQLQIEISA-N 1 2 246.314 1.736 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOC/C=C/Cl ZINC000848104895 588356288 /nfs/dbraw/zinc/35/62/88/588356288.db2.gz DNRBPCZLFMVLHD-SGJFDWMWSA-N 1 2 243.694 1.389 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOC/C=C/Cl ZINC000848104895 588356290 /nfs/dbraw/zinc/35/62/90/588356290.db2.gz DNRBPCZLFMVLHD-SGJFDWMWSA-N 1 2 243.694 1.389 20 0 BDADLO C=C=CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000848112768 588356743 /nfs/dbraw/zinc/35/67/43/588356743.db2.gz SOMUVGVNOZZGNO-JTQLQIEISA-N 1 2 205.261 1.292 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](OC)C1 ZINC000848666284 588404463 /nfs/dbraw/zinc/40/44/63/588404463.db2.gz BHRNGQSYXFYSIS-SECBINFHSA-N 1 2 223.276 1.019 20 0 BDADLO Cc1cc(NC[C@H]2CN(C3CC3)C(=O)O2)nc[nH+]1 ZINC000848792451 588413569 /nfs/dbraw/zinc/41/35/69/588413569.db2.gz CPWBAZCLYLKIQL-JTQLQIEISA-N 1 2 248.286 1.180 20 0 BDADLO COCCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782105 588413780 /nfs/dbraw/zinc/41/37/80/588413780.db2.gz QTOIDJOWYQAINK-UHFFFAOYSA-N 1 2 248.282 1.836 20 0 BDADLO Cn1c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cnc1Cl ZINC000848908533 588419243 /nfs/dbraw/zinc/41/92/43/588419243.db2.gz WVFVWAGJLCHQAP-SECBINFHSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1c(C[N@H+]2C[C@@H](O)C(C)(C)C2)cnc1Cl ZINC000848908533 588419245 /nfs/dbraw/zinc/41/92/45/588419245.db2.gz WVFVWAGJLCHQAP-SECBINFHSA-N 1 2 243.738 1.276 20 0 BDADLO CC(C)CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000849395045 588476590 /nfs/dbraw/zinc/47/65/90/588476590.db2.gz MNLACKHGYSUYHZ-SNVBAGLBSA-N 1 2 236.319 1.625 20 0 BDADLO CSC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000849987074 588512412 /nfs/dbraw/zinc/51/24/12/588512412.db2.gz TYICYLXSQXCSRV-UHFFFAOYSA-N 1 2 242.344 1.958 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)OCCn1cc[nH+]c1 ZINC000850061841 588516523 /nfs/dbraw/zinc/51/65/23/588516523.db2.gz LGLKXTMSYICPKT-NSHDSACASA-N 1 2 248.282 1.898 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccc(F)n2)n1 ZINC000850222459 588530352 /nfs/dbraw/zinc/53/03/52/588530352.db2.gz ZMVYKNZCCGDKCQ-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Nc1cc(COC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000850264939 588533785 /nfs/dbraw/zinc/53/37/85/588533785.db2.gz VPAWZOHACKCQEG-URLYPYJESA-N 1 2 232.283 1.753 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)OCc1c[nH+]cn1C ZINC000850868280 588571791 /nfs/dbraw/zinc/57/17/91/588571791.db2.gz BULTWWHRKRAIIZ-SNVBAGLBSA-N 1 2 248.282 1.935 20 0 BDADLO FC(F)(Br)Cn1cc[nH+]c1 ZINC000851821423 588633436 /nfs/dbraw/zinc/63/34/36/588633436.db2.gz VVUNNZFUUAMEBL-UHFFFAOYSA-N 1 2 211.009 1.871 20 0 BDADLO CC1(C)C[N@H+](Cc2cccc(F)n2)CCO1 ZINC000851712203 588615587 /nfs/dbraw/zinc/61/55/87/588615587.db2.gz LTJYBOOMHDAERO-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccc(F)n2)CCO1 ZINC000851712203 588615588 /nfs/dbraw/zinc/61/55/88/588615588.db2.gz LTJYBOOMHDAERO-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851726884 588617880 /nfs/dbraw/zinc/61/78/80/588617880.db2.gz XCBDIYIVIYDZKY-QMMMGPOBSA-N 1 2 209.236 1.336 20 0 BDADLO CC[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851726884 588617881 /nfs/dbraw/zinc/61/78/81/588617881.db2.gz XCBDIYIVIYDZKY-QMMMGPOBSA-N 1 2 209.236 1.336 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(F)n1 ZINC000851775237 588626581 /nfs/dbraw/zinc/62/65/81/588626581.db2.gz QSEXSKDIEZUWAR-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccc(F)n1 ZINC000851775237 588626582 /nfs/dbraw/zinc/62/65/82/588626582.db2.gz QSEXSKDIEZUWAR-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO CCC[C@@](C)([NH2+]CCC(OC)OC)C(=O)OC ZINC000851777006 588627029 /nfs/dbraw/zinc/62/70/29/588627029.db2.gz GKFVHEGHMLYWPZ-GFCCVEGCSA-N 1 2 247.335 1.317 20 0 BDADLO c1cn(C2CCN(Cc3cnon3)CC2)c[nH+]1 ZINC000851804136 588631189 /nfs/dbraw/zinc/63/11/89/588631189.db2.gz YQHGJFFUGHQJQP-UHFFFAOYSA-N 1 2 233.275 1.103 20 0 BDADLO C[C@H]1CC(=O)NCC[N@@H+]1CC=C(Cl)Cl ZINC000851875743 588638235 /nfs/dbraw/zinc/63/82/35/588638235.db2.gz XIYVOVIZCFJWFU-ZETCQYMHSA-N 1 2 237.130 1.516 20 0 BDADLO C[C@H]1CC(=O)NCC[N@H+]1CC=C(Cl)Cl ZINC000851875743 588638236 /nfs/dbraw/zinc/63/82/36/588638236.db2.gz XIYVOVIZCFJWFU-ZETCQYMHSA-N 1 2 237.130 1.516 20 0 BDADLO CCc1nc([C@@H](C)N2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000851876820 588638436 /nfs/dbraw/zinc/63/84/36/588638436.db2.gz OUDPPJOZGYOXQB-VHSXEESVSA-N 1 2 237.351 1.064 20 0 BDADLO CCc1nc([C@@H](C)N2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000851876820 588638437 /nfs/dbraw/zinc/63/84/37/588638437.db2.gz OUDPPJOZGYOXQB-VHSXEESVSA-N 1 2 237.351 1.064 20 0 BDADLO CCc1nc([C@@H](C)N2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000851876818 588638546 /nfs/dbraw/zinc/63/85/46/588638546.db2.gz OUDPPJOZGYOXQB-NXEZZACHSA-N 1 2 237.351 1.064 20 0 BDADLO CCc1nc([C@@H](C)N2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000851876818 588638547 /nfs/dbraw/zinc/63/85/47/588638547.db2.gz OUDPPJOZGYOXQB-NXEZZACHSA-N 1 2 237.351 1.064 20 0 BDADLO CC1(C)OC[C@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000851878291 588639146 /nfs/dbraw/zinc/63/91/46/588639146.db2.gz AEQVIUKYUVBUPH-IUCAKERBSA-N 1 2 235.274 1.867 20 0 BDADLO CC1(C)OC[C@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000851878291 588639147 /nfs/dbraw/zinc/63/91/47/588639147.db2.gz AEQVIUKYUVBUPH-IUCAKERBSA-N 1 2 235.274 1.867 20 0 BDADLO NC(=O)N[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000851880542 588639362 /nfs/dbraw/zinc/63/93/62/588639362.db2.gz BJOZNTGHEMYAFV-ZCFIWIBFSA-N 1 2 238.118 1.048 20 0 BDADLO NC(=O)N[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000851880542 588639363 /nfs/dbraw/zinc/63/93/63/588639363.db2.gz BJOZNTGHEMYAFV-ZCFIWIBFSA-N 1 2 238.118 1.048 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1cccnc1 ZINC000851892859 588641266 /nfs/dbraw/zinc/64/12/66/588641266.db2.gz DINRZJIRPTXZCY-QMMMGPOBSA-N 1 2 204.233 1.315 20 0 BDADLO CO[C@H]1CC[C@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000851907408 588642415 /nfs/dbraw/zinc/64/24/15/588642415.db2.gz IANHBXBYGWAMCW-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO CO[C@H]1CC[C@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000851907408 588642416 /nfs/dbraw/zinc/64/24/16/588642416.db2.gz IANHBXBYGWAMCW-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1cnon1 ZINC000851920568 588643758 /nfs/dbraw/zinc/64/37/58/588643758.db2.gz BUYHTUVFGPEBPS-VIFPVBQESA-N 1 2 232.287 1.878 20 0 BDADLO CC[C@H]([NH2+]Cc1cnon1)c1c(C)noc1C ZINC000851928055 588644710 /nfs/dbraw/zinc/64/47/10/588644710.db2.gz PHNYEVALRSGUAG-JTQLQIEISA-N 1 2 236.275 1.915 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1ccsc1 ZINC000852016853 588655197 /nfs/dbraw/zinc/65/51/97/588655197.db2.gz MWSARDBEFVHKBT-ZETCQYMHSA-N 1 2 209.274 1.982 20 0 BDADLO c1nonc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000852063035 588658525 /nfs/dbraw/zinc/65/85/25/588658525.db2.gz MSTBZOBDYLHXPU-NEPJUHHUSA-N 1 2 249.314 1.603 20 0 BDADLO c1nonc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000852063035 588658526 /nfs/dbraw/zinc/65/85/26/588658526.db2.gz MSTBZOBDYLHXPU-NEPJUHHUSA-N 1 2 249.314 1.603 20 0 BDADLO CO[C@@H]1C[C@H]([N@H+](C)Cc2cnon2)C12CCC2 ZINC000852142466 588666906 /nfs/dbraw/zinc/66/69/06/588666906.db2.gz ZKDALKJNRLAOBE-WDEREUQCSA-N 1 2 237.303 1.459 20 0 BDADLO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cnon2)C12CCC2 ZINC000852142466 588666907 /nfs/dbraw/zinc/66/69/07/588666907.db2.gz ZKDALKJNRLAOBE-WDEREUQCSA-N 1 2 237.303 1.459 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)Cc2n[nH]c(=O)o2)o1 ZINC000852189065 588671100 /nfs/dbraw/zinc/67/11/00/588671100.db2.gz UZLAIPRFPUWBJO-UHFFFAOYSA-N 1 2 238.247 1.012 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)Cc2n[nH]c(=O)o2)o1 ZINC000852189065 588671101 /nfs/dbraw/zinc/67/11/01/588671101.db2.gz UZLAIPRFPUWBJO-UHFFFAOYSA-N 1 2 238.247 1.012 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC1CCC1 ZINC000852198745 588671487 /nfs/dbraw/zinc/67/14/87/588671487.db2.gz TULCBGZZTOHYJP-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC1CCC1 ZINC000852198745 588671488 /nfs/dbraw/zinc/67/14/88/588671488.db2.gz TULCBGZZTOHYJP-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CC[N@H+](CCSC)Cc1cnon1 ZINC000852209001 588672286 /nfs/dbraw/zinc/67/22/86/588672286.db2.gz LWIVYTAHZKWPFN-UHFFFAOYSA-N 1 2 201.295 1.255 20 0 BDADLO CC[N@@H+](CCSC)Cc1cnon1 ZINC000852209001 588672287 /nfs/dbraw/zinc/67/22/87/588672287.db2.gz LWIVYTAHZKWPFN-UHFFFAOYSA-N 1 2 201.295 1.255 20 0 BDADLO CC[C@H](C)CONC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000852353350 588679333 /nfs/dbraw/zinc/67/93/33/588679333.db2.gz ZTSZTUIMSSZTBG-VIFPVBQESA-N 1 2 240.307 1.529 20 0 BDADLO CC[C@H](C)CONC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852353350 588679334 /nfs/dbraw/zinc/67/93/34/588679334.db2.gz ZTSZTUIMSSZTBG-VIFPVBQESA-N 1 2 240.307 1.529 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)C(C)C ZINC000852444122 588682624 /nfs/dbraw/zinc/68/26/24/588682624.db2.gz SOJDLIZSMPVZKR-UHFFFAOYSA-N 1 2 239.315 1.239 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCC(=O)C(C)C ZINC000852444122 588682625 /nfs/dbraw/zinc/68/26/25/588682625.db2.gz SOJDLIZSMPVZKR-UHFFFAOYSA-N 1 2 239.315 1.239 20 0 BDADLO COCC[N@H+](CCF)Cc1cc(C)nc(C)n1 ZINC000852479359 588683203 /nfs/dbraw/zinc/68/32/03/588683203.db2.gz DGDYCFXYUHAYGK-UHFFFAOYSA-N 1 2 241.310 1.511 20 0 BDADLO COCC[N@@H+](CCF)Cc1cc(C)nc(C)n1 ZINC000852479359 588683204 /nfs/dbraw/zinc/68/32/04/588683204.db2.gz DGDYCFXYUHAYGK-UHFFFAOYSA-N 1 2 241.310 1.511 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC(=O)C2CC2)o1 ZINC000852471231 588683328 /nfs/dbraw/zinc/68/33/28/588683328.db2.gz HIMFOPYJFNDURN-UHFFFAOYSA-N 1 2 223.276 1.179 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC(=O)C2CC2)o1 ZINC000852471231 588683329 /nfs/dbraw/zinc/68/33/29/588683329.db2.gz HIMFOPYJFNDURN-UHFFFAOYSA-N 1 2 223.276 1.179 20 0 BDADLO CCc1nocc1C[N@H+](CCF)CCOC ZINC000852480583 588684156 /nfs/dbraw/zinc/68/41/56/588684156.db2.gz YYEPSMDWXCXKNU-UHFFFAOYSA-N 1 2 230.283 1.655 20 0 BDADLO CCc1nocc1C[N@@H+](CCF)CCOC ZINC000852480583 588684157 /nfs/dbraw/zinc/68/41/57/588684157.db2.gz YYEPSMDWXCXKNU-UHFFFAOYSA-N 1 2 230.283 1.655 20 0 BDADLO COCC[N@H+](CCF)[C@H](C)C(=O)N(C)C(C)C ZINC000852483460 588684593 /nfs/dbraw/zinc/68/45/93/588684593.db2.gz KHTVFBWSSDUUNH-LLVKDONJSA-N 1 2 248.342 1.160 20 0 BDADLO COCC[N@@H+](CCF)[C@H](C)C(=O)N(C)C(C)C ZINC000852483460 588684594 /nfs/dbraw/zinc/68/45/94/588684594.db2.gz KHTVFBWSSDUUNH-LLVKDONJSA-N 1 2 248.342 1.160 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](CCF)CCOC ZINC000852483410 588684611 /nfs/dbraw/zinc/68/46/11/588684611.db2.gz IJDOTHDDYOEPOU-QWRGUYRKSA-N 1 2 248.342 1.208 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](CCF)CCOC ZINC000852483410 588684612 /nfs/dbraw/zinc/68/46/12/588684612.db2.gz IJDOTHDDYOEPOU-QWRGUYRKSA-N 1 2 248.342 1.208 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1C=CCC1 ZINC000852507516 588686974 /nfs/dbraw/zinc/68/69/74/588686974.db2.gz CUNAHUFZFWFJJL-LLVKDONJSA-N 1 2 246.314 1.511 20 0 BDADLO NC(=O)c1cccc2c1CC[N@H+](CCF)C2 ZINC000852754310 588700658 /nfs/dbraw/zinc/70/06/58/588700658.db2.gz DGNDIDIDVJOZTP-UHFFFAOYSA-N 1 2 222.263 1.113 20 0 BDADLO NC(=O)c1cccc2c1CC[N@@H+](CCF)C2 ZINC000852754310 588700659 /nfs/dbraw/zinc/70/06/59/588700659.db2.gz DGNDIDIDVJOZTP-UHFFFAOYSA-N 1 2 222.263 1.113 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000852785045 588701154 /nfs/dbraw/zinc/70/11/54/588701154.db2.gz XWECBERPOSSWJV-KWQFWETISA-N 1 2 249.257 1.048 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000852785045 588701155 /nfs/dbraw/zinc/70/11/55/588701155.db2.gz XWECBERPOSSWJV-KWQFWETISA-N 1 2 249.257 1.048 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852784307 588702392 /nfs/dbraw/zinc/70/23/92/588702392.db2.gz INEQFTXCVQVENZ-GFCCVEGCSA-N 1 2 249.301 1.958 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000852784307 588702393 /nfs/dbraw/zinc/70/23/93/588702393.db2.gz INEQFTXCVQVENZ-GFCCVEGCSA-N 1 2 249.301 1.958 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)C12CC(C1)C2 ZINC000860767141 589118977 /nfs/dbraw/zinc/11/89/77/589118977.db2.gz OQHFZQBDPLQPLQ-UHFFFAOYSA-N 1 2 246.310 1.991 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1nncs1 ZINC000861369631 589161675 /nfs/dbraw/zinc/16/16/75/589161675.db2.gz GEXBDVHYPFKLMS-QMMMGPOBSA-N 1 2 241.316 1.066 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1nncs1 ZINC000861369631 589161676 /nfs/dbraw/zinc/16/16/76/589161676.db2.gz GEXBDVHYPFKLMS-QMMMGPOBSA-N 1 2 241.316 1.066 20 0 BDADLO O=C(OCC[NH+]1CCC1)c1nccs1 ZINC000861391604 589164790 /nfs/dbraw/zinc/16/47/90/589164790.db2.gz GRQJLGVJTPUZDN-UHFFFAOYSA-N 1 2 212.274 1.006 20 0 BDADLO CCC/C=C\C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861759109 589176460 /nfs/dbraw/zinc/17/64/60/589176460.db2.gz GKXYFBXYUDYWRP-PLNGDYQASA-N 1 2 219.288 1.651 20 0 BDADLO CCC/C=C\C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861759109 589176461 /nfs/dbraw/zinc/17/64/61/589176461.db2.gz GKXYFBXYUDYWRP-PLNGDYQASA-N 1 2 219.288 1.651 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1C=CCC1)CC2 ZINC000862172512 589193660 /nfs/dbraw/zinc/19/36/60/589193660.db2.gz AFFJTUAKBLXUCG-NEPJUHHUSA-N 1 2 245.326 1.589 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@H]2CCCCNC2=O)o1 ZINC000862237272 589196138 /nfs/dbraw/zinc/19/61/38/589196138.db2.gz KZVUDKWTNYBBTI-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@H]2CCCCNC2=O)o1 ZINC000862237272 589196139 /nfs/dbraw/zinc/19/61/39/589196139.db2.gz KZVUDKWTNYBBTI-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1c(F)nccc1C[N@@H+]1CCn2ncnc2C1 ZINC000862329415 589201453 /nfs/dbraw/zinc/20/14/53/589201453.db2.gz XPDPBZXDMQDEMN-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1c(F)nccc1C[N@H+]1CCn2ncnc2C1 ZINC000862329415 589201454 /nfs/dbraw/zinc/20/14/54/589201454.db2.gz XPDPBZXDMQDEMN-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]Cc1cccc2n[nH]cc21 ZINC000862339343 589202093 /nfs/dbraw/zinc/20/20/93/589202093.db2.gz PUMIGEZRXOQMJE-VIFPVBQESA-N 1 2 247.298 1.604 20 0 BDADLO Cc1[nH]c(CN2CC(O)(C(C)C)C2)[nH+]c1C ZINC000862389846 589208053 /nfs/dbraw/zinc/20/80/53/589208053.db2.gz PNOVEPKTNUOXNZ-UHFFFAOYSA-N 1 2 223.320 1.229 20 0 BDADLO COCCN(CCF)Cc1[nH]cc(C)[nH+]1 ZINC000862412798 589211146 /nfs/dbraw/zinc/21/11/46/589211146.db2.gz XVXCPXQQROBAIL-UHFFFAOYSA-N 1 2 215.272 1.136 20 0 BDADLO COC(=O)C1=CC[C@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000862465817 589216489 /nfs/dbraw/zinc/21/64/89/589216489.db2.gz UVCSICPVBHKRQN-NSHDSACASA-N 1 2 235.287 1.070 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000119131470 589244952 /nfs/dbraw/zinc/24/49/52/589244952.db2.gz IOHIWHQOBCCUML-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000119131470 589244953 /nfs/dbraw/zinc/24/49/53/589244953.db2.gz IOHIWHQOBCCUML-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@@H]1CCOC1 ZINC000119400110 589277267 /nfs/dbraw/zinc/27/72/67/589277267.db2.gz HVDDFZYPVIWSRA-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCOC1 ZINC000119400110 589277268 /nfs/dbraw/zinc/27/72/68/589277268.db2.gz HVDDFZYPVIWSRA-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1=O ZINC000863304723 589277522 /nfs/dbraw/zinc/27/75/22/589277522.db2.gz MJWCVKQEENGGKD-GRYCIOLGSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)C1=O ZINC000863304723 589277523 /nfs/dbraw/zinc/27/75/23/589277523.db2.gz MJWCVKQEENGGKD-GRYCIOLGSA-N 1 2 238.331 1.066 20 0 BDADLO CCOC1CC(O[NH+]=C(N)COC(C)(C)C)C1 ZINC000863467805 589290648 /nfs/dbraw/zinc/29/06/48/589290648.db2.gz LXMWMRSAESWRQG-UHFFFAOYSA-N 1 2 244.335 1.867 20 0 BDADLO CCO[C@H](CO[NH+]=C(N)[C@H]1CCCO1)C1CC1 ZINC000863472255 589291353 /nfs/dbraw/zinc/29/13/53/589291353.db2.gz ATNAYTLHDDWROZ-GHMZBOCLSA-N 1 2 242.319 1.479 20 0 BDADLO COC1(C(N)=[NH+]O[C@H]2CCOC2)CCCC1 ZINC000863477698 589291922 /nfs/dbraw/zinc/29/19/22/589291922.db2.gz UACMLZLVEVVWSA-VIFPVBQESA-N 1 2 228.292 1.233 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)C1(OC)CCCC1)OC ZINC000863477508 589292219 /nfs/dbraw/zinc/29/22/19/589292219.db2.gz NKTQUYLHTLRHGY-JTQLQIEISA-N 1 2 244.335 1.869 20 0 BDADLO C[N@H+](Cc1scnc1Cl)C1(CO)CC1 ZINC000864097283 589344781 /nfs/dbraw/zinc/34/47/81/589344781.db2.gz RRLHOJATPAOXFS-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO C[N@@H+](Cc1scnc1Cl)C1(CO)CC1 ZINC000864097283 589344783 /nfs/dbraw/zinc/34/47/83/589344783.db2.gz RRLHOJATPAOXFS-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO CCCN(CCC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864412601 589360314 /nfs/dbraw/zinc/36/03/14/589360314.db2.gz WNYDIUOLYWWLOH-JTQLQIEISA-N 1 2 225.292 1.092 20 0 BDADLO CCCCN(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864444963 589363887 /nfs/dbraw/zinc/36/38/87/589363887.db2.gz HVTICWKCIOAIRI-JTQLQIEISA-N 1 2 225.292 1.092 20 0 BDADLO C[C@H](N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)(C)C ZINC000864777015 589393932 /nfs/dbraw/zinc/39/39/32/589393932.db2.gz HUJFATFUNUOTJK-WPRPVWTQSA-N 1 2 239.319 1.336 20 0 BDADLO CCN(C)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864810459 589394753 /nfs/dbraw/zinc/39/47/53/589394753.db2.gz CUSLFXHKUMCTFN-VIFPVBQESA-N 1 2 234.290 1.442 20 0 BDADLO CCN(C)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864810459 589394755 /nfs/dbraw/zinc/39/47/55/589394755.db2.gz CUSLFXHKUMCTFN-VIFPVBQESA-N 1 2 234.290 1.442 20 0 BDADLO CCCN(CC(C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864813110 589395499 /nfs/dbraw/zinc/39/54/99/589395499.db2.gz ACYKBNKAYDREOX-LLVKDONJSA-N 1 2 239.319 1.338 20 0 BDADLO CC[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000864851973 589397946 /nfs/dbraw/zinc/39/79/46/589397946.db2.gz XUMDLPYCWNWJAY-MWLCHTKSSA-N 1 2 237.303 1.092 20 0 BDADLO CCC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864950691 589401946 /nfs/dbraw/zinc/40/19/46/589401946.db2.gz RSDAQBONFKSXHI-LLVKDONJSA-N 1 2 237.303 1.092 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865011424 589404707 /nfs/dbraw/zinc/40/47/07/589404707.db2.gz AJLQHKFQASSBSV-WDEREUQCSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865011423 589404918 /nfs/dbraw/zinc/40/49/18/589404918.db2.gz AJLQHKFQASSBSV-QWRGUYRKSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)C ZINC000865082163 589408197 /nfs/dbraw/zinc/40/81/97/589408197.db2.gz PWEXDXHRXQSNJU-NSHDSACASA-N 1 2 239.319 1.336 20 0 BDADLO CC(C)(C)c1cn(CC(=O)N2CCCC2)c[nH+]1 ZINC000865374841 589428220 /nfs/dbraw/zinc/42/82/20/589428220.db2.gz MIOAQEBCQPEMGE-UHFFFAOYSA-N 1 2 235.331 1.803 20 0 BDADLO CC(C)(C)c1cn(CCCS(C)(=O)=O)c[nH+]1 ZINC000865375953 589428296 /nfs/dbraw/zinc/42/82/96/589428296.db2.gz RTWHUROMPBXGDP-UHFFFAOYSA-N 1 2 244.360 1.615 20 0 BDADLO CCNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865401352 589433266 /nfs/dbraw/zinc/43/32/66/589433266.db2.gz QNWRRTJAVLOUMY-UHFFFAOYSA-N 1 2 207.281 1.543 20 0 BDADLO CCNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865401352 589433267 /nfs/dbraw/zinc/43/32/67/589433267.db2.gz QNWRRTJAVLOUMY-UHFFFAOYSA-N 1 2 207.281 1.543 20 0 BDADLO C[C@@H]1CCN(c2nc(N)[nH+]c(C3CCCC3)n2)C1 ZINC000865497957 589441815 /nfs/dbraw/zinc/44/18/15/589441815.db2.gz UNBLZILJMIGAHJ-SECBINFHSA-N 1 2 247.346 1.958 20 0 BDADLO C[C@@H]1CCN(c2nc(N)nc(C3CCCC3)[nH+]2)C1 ZINC000865497957 589441816 /nfs/dbraw/zinc/44/18/16/589441816.db2.gz UNBLZILJMIGAHJ-SECBINFHSA-N 1 2 247.346 1.958 20 0 BDADLO COC1CN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865535662 589444017 /nfs/dbraw/zinc/44/40/17/589444017.db2.gz NNXRLRUYHNJHBS-UHFFFAOYSA-N 1 2 238.678 1.398 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1cccnc1F ZINC000865548975 589445092 /nfs/dbraw/zinc/44/50/92/589445092.db2.gz OEVAPCREPPSROO-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C3CC3)cn2)n(C)n1 ZINC000865558958 589446654 /nfs/dbraw/zinc/44/66/54/589446654.db2.gz VWBFVMWDWDCZHD-UHFFFAOYSA-N 1 2 245.330 1.550 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2C=C[C@H](CO)C2)[nH+]c1 ZINC000865581592 589448463 /nfs/dbraw/zinc/44/84/63/589448463.db2.gz WDVGTIHIRURZAE-JBLDHEPKSA-N 1 2 234.299 1.484 20 0 BDADLO CC(C)Cc1cc(NCC2(CO)CC2)nc[nH+]1 ZINC000865579060 589448708 /nfs/dbraw/zinc/44/87/08/589448708.db2.gz RCHTUDHVVIMVKE-UHFFFAOYSA-N 1 2 235.331 1.860 20 0 BDADLO CC/C=C(/F)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000865598877 589449804 /nfs/dbraw/zinc/44/98/04/589449804.db2.gz PAIJTAPHQFRSAK-XBXARRHUSA-N 1 2 211.240 1.632 20 0 BDADLO Cc1cc(CNc2ccc([C@H](C)O)c[nH+]2)ncn1 ZINC000865642531 589454006 /nfs/dbraw/zinc/45/40/06/589454006.db2.gz IYVMDNMBHJIQJV-JTQLQIEISA-N 1 2 244.298 1.845 20 0 BDADLO Nc1nc(N2CC=CCC2)nc(C2CCCC2)[nH+]1 ZINC000865663410 589455154 /nfs/dbraw/zinc/45/51/54/589455154.db2.gz VVUOKXKPDXTOME-UHFFFAOYSA-N 1 2 245.330 1.878 20 0 BDADLO Nc1nc(C2CCCC2)[nH+]c(N2CC=CCC2)n1 ZINC000865663410 589455155 /nfs/dbraw/zinc/45/51/55/589455155.db2.gz VVUOKXKPDXTOME-UHFFFAOYSA-N 1 2 245.330 1.878 20 0 BDADLO FCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865752290 589460836 /nfs/dbraw/zinc/46/08/36/589460836.db2.gz QKWRRNMOCRTBFI-UHFFFAOYSA-N 1 2 214.631 1.993 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878658 589467015 /nfs/dbraw/zinc/46/70/15/589467015.db2.gz VSPHESHSZXLCLT-GWNIPJSYSA-N 1 2 245.326 1.559 20 0 BDADLO CCC(C)(C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865954956 589470216 /nfs/dbraw/zinc/47/02/16/589470216.db2.gz ILPIPNZCEPTASP-VIFPVBQESA-N 1 2 225.292 1.090 20 0 BDADLO CCn1nncc1CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865964001 589470473 /nfs/dbraw/zinc/47/04/73/589470473.db2.gz DQLCJCABJNXLQQ-VIFPVBQESA-N 1 2 247.302 1.358 20 0 BDADLO C[C@@H](N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1)C1(C)CC1 ZINC000866438126 589492819 /nfs/dbraw/zinc/49/28/19/589492819.db2.gz BVSOZYMEDPZQLW-PSASIEDQSA-N 1 2 237.303 1.090 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccnn1C ZINC000866614522 589504818 /nfs/dbraw/zinc/50/48/18/589504818.db2.gz MSXJSWDHRKNNGJ-VWYCJHECSA-N 1 2 245.330 1.973 20 0 BDADLO CC[C@@H](NC(=O)/C=C\COC)c1[nH]cc[nH+]1 ZINC000867457380 589520408 /nfs/dbraw/zinc/52/04/08/589520408.db2.gz GKNGQHOGFDVUIF-XRVBUDJMSA-N 1 2 223.276 1.180 20 0 BDADLO CC[C@@H](NC(=O)C=CCOC)c1[nH]cc[nH+]1 ZINC000867457380 589520409 /nfs/dbraw/zinc/52/04/09/589520409.db2.gz GKNGQHOGFDVUIF-XRVBUDJMSA-N 1 2 223.276 1.180 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)OC1CCC1 ZINC000867713987 589531826 /nfs/dbraw/zinc/53/18/26/589531826.db2.gz VDBFRJKATUTXTE-JTQLQIEISA-N 1 2 244.310 1.699 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)OC1CCC1 ZINC000867713987 589531827 /nfs/dbraw/zinc/53/18/27/589531827.db2.gz VDBFRJKATUTXTE-JTQLQIEISA-N 1 2 244.310 1.699 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000868264824 589553242 /nfs/dbraw/zinc/55/32/42/589553242.db2.gz WTMZVAZXIDNOQY-OLXTUZCPSA-N 1 2 237.278 1.578 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)[C@@]12C[C@@H]1CCCC2 ZINC000868426573 589558029 /nfs/dbraw/zinc/55/80/29/589558029.db2.gz GRIYHPMESBTQGD-HZMBPMFUSA-N 1 2 245.326 1.875 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)[C@@]12C[C@@H]1CCCC2 ZINC000868426573 589558030 /nfs/dbraw/zinc/55/80/30/589558030.db2.gz GRIYHPMESBTQGD-HZMBPMFUSA-N 1 2 245.326 1.875 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868878418 589581189 /nfs/dbraw/zinc/58/11/89/589581189.db2.gz DYSBTWOASIRWFA-PSASIEDQSA-N 1 2 237.303 1.090 20 0 BDADLO COc1ccc(NCc2c[nH+]cn2C)cc1CO ZINC000122353693 589582592 /nfs/dbraw/zinc/58/25/92/589582592.db2.gz FGVXDAOSEHACNP-UHFFFAOYSA-N 1 2 247.298 1.533 20 0 BDADLO CC[C@H]([NH2+]Cc1ccon1)c1cnn(C)c1 ZINC000122423963 589589255 /nfs/dbraw/zinc/58/92/55/589589255.db2.gz XUEYKUCIHQACRE-NSHDSACASA-N 1 2 220.276 1.649 20 0 BDADLO C[C@]12CCCC[C@H]1CN2C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869489148 589609093 /nfs/dbraw/zinc/60/90/93/589609093.db2.gz HMBYYXZBRZCRHD-GAFUQQFSSA-N 1 2 249.314 1.234 20 0 BDADLO CCCCC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000869500789 589609890 /nfs/dbraw/zinc/60/98/90/589609890.db2.gz JZGJJQNSVLHNEL-LBPRGKRZSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000869887040 589635669 /nfs/dbraw/zinc/63/56/69/589635669.db2.gz IDQZCTSWVFJFBR-WRWGMCAJSA-N 1 2 234.299 1.718 20 0 BDADLO CCOCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000122902099 589643309 /nfs/dbraw/zinc/64/33/09/589643309.db2.gz ZXFNLDKVZPHFMD-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC12CCC2 ZINC000871629394 589779334 /nfs/dbraw/zinc/77/93/34/589779334.db2.gz PIMGOWQEPGBXGF-SNVBAGLBSA-N 1 2 234.303 1.125 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCCC1CC1 ZINC000871734123 589801313 /nfs/dbraw/zinc/80/13/13/589801313.db2.gz AFYYNEKWTLCAEX-QMMMGPOBSA-N 1 2 200.282 1.710 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1coc(C2CC2)n1 ZINC000871735498 589801374 /nfs/dbraw/zinc/80/13/74/589801374.db2.gz RXCQQMLUPRVEOD-SSDOTTSWSA-N 1 2 239.275 1.585 20 0 BDADLO Cc1conc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000871749027 589804684 /nfs/dbraw/zinc/80/46/84/589804684.db2.gz QYEKCBZSAMXHBF-SECBINFHSA-N 1 2 225.248 1.160 20 0 BDADLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000871748672 589804716 /nfs/dbraw/zinc/80/47/16/589804716.db2.gz MXKZBHPKFPYVCH-AEJSXWLSSA-N 1 2 228.292 1.089 20 0 BDADLO NC(COC1CCC1)=[NH+]OCCCCCCO ZINC000871776618 589813546 /nfs/dbraw/zinc/81/35/46/589813546.db2.gz XXZTULZOHZUBBG-UHFFFAOYSA-N 1 2 244.335 1.607 20 0 BDADLO NC(COC1CCC1)=[NH+]OCCOCC1CC1 ZINC000871778469 589813826 /nfs/dbraw/zinc/81/38/26/589813826.db2.gz JLYKHAWGSAQPIL-UHFFFAOYSA-N 1 2 242.319 1.481 20 0 BDADLO NC(COC1CCC1)=[NH+]OC[C@H]1CCCOC1 ZINC000871776592 589814099 /nfs/dbraw/zinc/81/40/99/589814099.db2.gz XDKNPPVXUPTWJQ-JTQLQIEISA-N 1 2 242.319 1.481 20 0 BDADLO CC(C)(O)C[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989305 589854256 /nfs/dbraw/zinc/85/42/56/589854256.db2.gz LEPDIPBHFGXAOS-SNVBAGLBSA-N 1 2 240.347 1.703 20 0 BDADLO CCCC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872295788 589907510 /nfs/dbraw/zinc/90/75/10/589907510.db2.gz YMIAEWBOSLMHQR-UHFFFAOYSA-N 1 2 233.315 1.660 20 0 BDADLO O=C1N(C[N@H+]2CC=CCC2)C[C@@H]2CCCCN12 ZINC000872596918 589955257 /nfs/dbraw/zinc/95/52/57/589955257.db2.gz NQNLWLBSJIPMOB-LBPRGKRZSA-N 1 2 235.331 1.496 20 0 BDADLO O=C1N(C[N@@H+]2CC=CCC2)C[C@@H]2CCCCN12 ZINC000872596918 589955259 /nfs/dbraw/zinc/95/52/59/589955259.db2.gz NQNLWLBSJIPMOB-LBPRGKRZSA-N 1 2 235.331 1.496 20 0 BDADLO CONC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000124210701 589964795 /nfs/dbraw/zinc/96/47/95/589964795.db2.gz RCKAZXXWUKISAH-UHFFFAOYSA-N 1 2 233.271 1.412 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC12CCC2 ZINC000872774850 589967851 /nfs/dbraw/zinc/96/78/51/589967851.db2.gz JBXGKXDPDCSBIU-MRVPVSSYSA-N 1 2 244.302 1.300 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC12CCC2 ZINC000872900552 589974779 /nfs/dbraw/zinc/97/47/79/589974779.db2.gz YTSFUSZTRMBHNY-SECBINFHSA-N 1 2 234.303 1.162 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC23CCC3)c1 ZINC000873037717 589980644 /nfs/dbraw/zinc/98/06/44/589980644.db2.gz AFDMJUQBDQQXSZ-LLVKDONJSA-N 1 2 248.330 1.204 20 0 BDADLO COc1ccccc1OC(=O)[C@@H](C)[NH+](C)C ZINC000873851298 590074857 /nfs/dbraw/zinc/07/48/57/590074857.db2.gz MNLOWBQDYUYGTK-SECBINFHSA-N 1 2 223.272 1.551 20 0 BDADLO O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000874045809 590086648 /nfs/dbraw/zinc/08/66/48/590086648.db2.gz FEJLHYNONDDRLV-AOOOYVTPSA-N 1 2 245.282 1.287 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000124847142 590094948 /nfs/dbraw/zinc/09/49/48/590094948.db2.gz FTOJVCIKMCPUEH-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO O=C1CCCN1C[N@H+]1CCc2cccc(F)c2C1 ZINC000124847142 590094950 /nfs/dbraw/zinc/09/49/50/590094950.db2.gz FTOJVCIKMCPUEH-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO Cc1noc(C)c1NC(=O)C[NH+]1CCCC1 ZINC000874242706 590097693 /nfs/dbraw/zinc/09/76/93/590097693.db2.gz APVLKUPJFYVHQS-UHFFFAOYSA-N 1 2 223.276 1.326 20 0 BDADLO C[C@@H](O)c1ccc(N(C)CC2CC2)[nH+]c1 ZINC000124922776 590101875 /nfs/dbraw/zinc/10/18/75/590101875.db2.gz JGGOZQRZBOPBAO-SECBINFHSA-N 1 2 206.289 1.981 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C)CC1 ZINC000874704447 590124590 /nfs/dbraw/zinc/12/45/90/590124590.db2.gz KEJWETXQSVGWHP-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C)CC1 ZINC000874704447 590124592 /nfs/dbraw/zinc/12/45/92/590124592.db2.gz KEJWETXQSVGWHP-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC12CCC2 ZINC000874781001 590132055 /nfs/dbraw/zinc/13/20/55/590132055.db2.gz ULLRCDXELXAHMH-SECBINFHSA-N 1 2 219.288 1.401 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](NC=O)C(C)C)c(C)[nH+]1 ZINC000875434733 590163792 /nfs/dbraw/zinc/16/37/92/590163792.db2.gz JYMKYDVDAGOVKS-LBPRGKRZSA-N 1 2 249.314 1.408 20 0 BDADLO Cc1ccnn1CC(=O)Nc1c(C)cc[nH+]c1C ZINC000875690693 590168131 /nfs/dbraw/zinc/16/81/31/590168131.db2.gz BDCCRLVQDWPJID-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO Cc1cc(/C=C/N2CCCC2=O)cc[nH+]1 ZINC000876500924 590202882 /nfs/dbraw/zinc/20/28/82/590202882.db2.gz JZYMVOIBFKHEJD-VMPITWQZSA-N 1 2 202.257 1.983 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876660055 590227472 /nfs/dbraw/zinc/22/74/72/590227472.db2.gz MKYUOAHOBTUZCN-SSDOTTSWSA-N 1 2 232.736 1.611 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876660055 590227473 /nfs/dbraw/zinc/22/74/73/590227473.db2.gz MKYUOAHOBTUZCN-SSDOTTSWSA-N 1 2 232.736 1.611 20 0 BDADLO CCCn1cc(C[N@@H+]2CCCOC[C@H]2C)nn1 ZINC000876752154 590238114 /nfs/dbraw/zinc/23/81/14/590238114.db2.gz IDRBDJWLOGXCGT-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCCOC[C@H]2C)nn1 ZINC000876752154 590238115 /nfs/dbraw/zinc/23/81/15/590238115.db2.gz IDRBDJWLOGXCGT-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876790708 590241636 /nfs/dbraw/zinc/24/16/36/590241636.db2.gz CISUZJWNUNIFOI-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876790708 590241637 /nfs/dbraw/zinc/24/16/37/590241637.db2.gz CISUZJWNUNIFOI-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO Cc1cccc(F)c1C[NH2+]Cc1ncnn1C ZINC000877069028 590277225 /nfs/dbraw/zinc/27/72/25/590277225.db2.gz WAKQBGPEYXMMPH-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@@H]([NH3+])CN(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000877105317 590284537 /nfs/dbraw/zinc/28/45/37/590284537.db2.gz IXVCKKOQQGLAER-ZCFIWIBFSA-N 1 2 244.241 1.090 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000877469704 590334802 /nfs/dbraw/zinc/33/48/02/590334802.db2.gz SGUSDXBJNYJPAD-OUAUKWLOSA-N 1 2 231.336 1.587 20 0 BDADLO CCCn1cc(C[NH+]2CC3(CC3)C2)nn1 ZINC000877556921 590357949 /nfs/dbraw/zinc/35/79/49/590357949.db2.gz ZINRHIMTURHDTQ-UHFFFAOYSA-N 1 2 206.293 1.284 20 0 BDADLO CC(C)[N@H+](Cc1ccc(Cl)nn1)C1COC1 ZINC000877558180 590358927 /nfs/dbraw/zinc/35/89/27/590358927.db2.gz ZIHWCTWFKYBVPC-UHFFFAOYSA-N 1 2 241.722 1.739 20 0 BDADLO CC(C)[N@@H+](Cc1ccc(Cl)nn1)C1COC1 ZINC000877558180 590358929 /nfs/dbraw/zinc/35/89/29/590358929.db2.gz ZIHWCTWFKYBVPC-UHFFFAOYSA-N 1 2 241.722 1.739 20 0 BDADLO CC1(CO)C[NH+](Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877581833 590365775 /nfs/dbraw/zinc/36/57/75/590365775.db2.gz VCHYMCMWHQZOMM-UHFFFAOYSA-N 1 2 248.282 1.348 20 0 BDADLO COc1cnc(F)c(C[N@H+](C)C2(CO)CC2)c1 ZINC000877642149 590383028 /nfs/dbraw/zinc/38/30/28/590383028.db2.gz QJLXRVOLARLDEY-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO COc1cnc(F)c(C[N@@H+](C)C2(CO)CC2)c1 ZINC000877642149 590383031 /nfs/dbraw/zinc/38/30/31/590383031.db2.gz QJLXRVOLARLDEY-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO ClC1(Cl)C[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC000877649161 590383852 /nfs/dbraw/zinc/38/38/52/590383852.db2.gz PDFUZSQFHLFBAE-YFKPBYRVSA-N 1 2 221.091 1.088 20 0 BDADLO ClC1(Cl)C[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC000877649161 590383854 /nfs/dbraw/zinc/38/38/54/590383854.db2.gz PDFUZSQFHLFBAE-YFKPBYRVSA-N 1 2 221.091 1.088 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877715205 590398498 /nfs/dbraw/zinc/39/84/98/590398498.db2.gz BBQKAIVQZZQJSH-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@H](C)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877715205 590398499 /nfs/dbraw/zinc/39/84/99/590398499.db2.gz BBQKAIVQZZQJSH-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737232 590404882 /nfs/dbraw/zinc/40/48/82/590404882.db2.gz HKVODKGZXJJJHD-RKDXNWHRSA-N 1 2 241.385 1.723 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737232 590404884 /nfs/dbraw/zinc/40/48/84/590404884.db2.gz HKVODKGZXJJJHD-RKDXNWHRSA-N 1 2 241.385 1.723 20 0 BDADLO Cc1nn(C)cc1C[NH+]1CC(OC(C)(C)C)C1 ZINC000877770718 590422386 /nfs/dbraw/zinc/42/23/86/590422386.db2.gz XIPFUMUGNLFPIQ-UHFFFAOYSA-N 1 2 237.347 1.728 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)n1 ZINC000877812134 590426952 /nfs/dbraw/zinc/42/69/52/590426952.db2.gz HSONMTOEIUNJIK-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)n1 ZINC000877812134 590426954 /nfs/dbraw/zinc/42/69/54/590426954.db2.gz HSONMTOEIUNJIK-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO C[N@H+](Cc1nccn1CC(F)F)C1CC1 ZINC000877966188 590460350 /nfs/dbraw/zinc/46/03/50/590460350.db2.gz CDOWIOVWXHZMFN-UHFFFAOYSA-N 1 2 215.247 1.742 20 0 BDADLO C[N@@H+](Cc1nccn1CC(F)F)C1CC1 ZINC000877966188 590460351 /nfs/dbraw/zinc/46/03/51/590460351.db2.gz CDOWIOVWXHZMFN-UHFFFAOYSA-N 1 2 215.247 1.742 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nn2)CC[C@@H]1O ZINC000126830822 590463605 /nfs/dbraw/zinc/46/36/05/590463605.db2.gz XMSNEGYZZBVZMH-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nn2)CC[C@@H]1O ZINC000126830822 590463607 /nfs/dbraw/zinc/46/36/07/590463607.db2.gz XMSNEGYZZBVZMH-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO CC[N@H+](CC(=O)N=S(C)(C)=O)[C@H](C)C(C)C ZINC000878000771 590470374 /nfs/dbraw/zinc/47/03/74/590470374.db2.gz LLFHNNOQHHISNC-SNVBAGLBSA-N 1 2 248.392 1.607 20 0 BDADLO CC[N@@H+](CC(=O)N=S(C)(C)=O)[C@H](C)C(C)C ZINC000878000771 590470375 /nfs/dbraw/zinc/47/03/75/590470375.db2.gz LLFHNNOQHHISNC-SNVBAGLBSA-N 1 2 248.392 1.607 20 0 BDADLO O=C(COC1CC1)NCc1cn2ccccc2[nH+]1 ZINC000878011307 590472087 /nfs/dbraw/zinc/47/20/87/590472087.db2.gz RLJKIRAHPGBVGM-UHFFFAOYSA-N 1 2 245.282 1.130 20 0 BDADLO C[N@H+](CCc1ccc(C(N)=O)cc1)CC(F)F ZINC000878051803 590482742 /nfs/dbraw/zinc/48/27/42/590482742.db2.gz LWBPLMBPHAAKNV-UHFFFAOYSA-N 1 2 242.269 1.525 20 0 BDADLO C[N@@H+](CCc1ccc(C(N)=O)cc1)CC(F)F ZINC000878051803 590482744 /nfs/dbraw/zinc/48/27/44/590482744.db2.gz LWBPLMBPHAAKNV-UHFFFAOYSA-N 1 2 242.269 1.525 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC2(CCC2)O1 ZINC000878097507 590492486 /nfs/dbraw/zinc/49/24/86/590492486.db2.gz FPLQOPSKJRHAJZ-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CCC2(CCC2)O1 ZINC000878097507 590492488 /nfs/dbraw/zinc/49/24/88/590492488.db2.gz FPLQOPSKJRHAJZ-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO Cc1conc1C[N@H+]1CCSC[C@@H]1C ZINC000878122025 590499658 /nfs/dbraw/zinc/49/96/58/590499658.db2.gz VUKMRNLTLPEWOR-VIFPVBQESA-N 1 2 212.318 1.920 20 0 BDADLO Cc1conc1C[N@@H+]1CCSC[C@@H]1C ZINC000878122025 590499659 /nfs/dbraw/zinc/49/96/59/590499659.db2.gz VUKMRNLTLPEWOR-VIFPVBQESA-N 1 2 212.318 1.920 20 0 BDADLO Cc1conc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000878194106 590522225 /nfs/dbraw/zinc/52/22/25/590522225.db2.gz DHXWKYZPXRMYAM-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1conc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000878194106 590522227 /nfs/dbraw/zinc/52/22/27/590522227.db2.gz DHXWKYZPXRMYAM-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000878290980 590535812 /nfs/dbraw/zinc/53/58/12/590535812.db2.gz FHCZQDQBHACXBI-SCDSUCTJSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000878290980 590535814 /nfs/dbraw/zinc/53/58/14/590535814.db2.gz FHCZQDQBHACXBI-SCDSUCTJSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000878290980 590535816 /nfs/dbraw/zinc/53/58/16/590535816.db2.gz FHCZQDQBHACXBI-SCDSUCTJSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000878290980 590535818 /nfs/dbraw/zinc/53/58/18/590535818.db2.gz FHCZQDQBHACXBI-SCDSUCTJSA-N 1 2 247.342 1.725 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878297755 590536570 /nfs/dbraw/zinc/53/65/70/590536570.db2.gz PAXAJHBRJOYVDD-SECBINFHSA-N 1 2 224.304 1.366 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878297755 590536571 /nfs/dbraw/zinc/53/65/71/590536571.db2.gz PAXAJHBRJOYVDD-SECBINFHSA-N 1 2 224.304 1.366 20 0 BDADLO CN(Cc1coc(C2CC2)n1)Cc1[nH]cc[nH+]1 ZINC000878315270 590541595 /nfs/dbraw/zinc/54/15/95/590541595.db2.gz KHLRZZKAXPAQKG-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@@H](C)C(C)(C)C)CCOC1 ZINC000878333659 590547060 /nfs/dbraw/zinc/54/70/60/590547060.db2.gz AHAXEBPXBPUVBN-ZWNOBZJWSA-N 1 2 243.347 1.590 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+](C)Cc2noc(C)n2)C1 ZINC000878380583 590556437 /nfs/dbraw/zinc/55/64/37/590556437.db2.gz BQAHYMJXEPWGMR-AOOOYVTPSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+](C)Cc2noc(C)n2)C1 ZINC000878380583 590556439 /nfs/dbraw/zinc/55/64/39/590556439.db2.gz BQAHYMJXEPWGMR-AOOOYVTPSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1conc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000878481238 590576534 /nfs/dbraw/zinc/57/65/34/590576534.db2.gz BXBHFHVIWJAZSS-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000878481238 590576535 /nfs/dbraw/zinc/57/65/35/590576535.db2.gz BXBHFHVIWJAZSS-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO O[C@H]1C[N@H+](CCCC2CC2)CC(F)(F)C1 ZINC000878492923 590579721 /nfs/dbraw/zinc/57/97/21/590579721.db2.gz BYGGUQBPJBRBCV-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1C[N@@H+](CCCC2CC2)CC(F)(F)C1 ZINC000878492923 590579723 /nfs/dbraw/zinc/57/97/23/590579723.db2.gz BYGGUQBPJBRBCV-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(C)c(Cl)n1 ZINC000878499750 590580701 /nfs/dbraw/zinc/58/07/01/590580701.db2.gz QYZDYKJLZFAPSJ-UHFFFAOYSA-N 1 2 241.722 1.351 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(C)c(Cl)n1 ZINC000878499750 590580702 /nfs/dbraw/zinc/58/07/02/590580702.db2.gz QYZDYKJLZFAPSJ-UHFFFAOYSA-N 1 2 241.722 1.351 20 0 BDADLO C[C@]1([NH2+]CCCOC(F)(F)F)CCOC1=O ZINC000878632013 590597674 /nfs/dbraw/zinc/59/76/74/590597674.db2.gz LSLZMVNPLOSHNY-QMMMGPOBSA-N 1 2 241.209 1.208 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2CCC3(CCC3)O2)CCOC1=O ZINC000878631377 590597686 /nfs/dbraw/zinc/59/76/86/590597686.db2.gz FROXEFKSFLEJSK-JQWIXIFHSA-N 1 2 239.315 1.383 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2CC3(CCC3)CO2)CCOC1=O ZINC000878632651 590598109 /nfs/dbraw/zinc/59/81/09/590598109.db2.gz RHNZKOWBGXMQCO-JQWIXIFHSA-N 1 2 239.315 1.241 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677054 590608110 /nfs/dbraw/zinc/60/81/10/590608110.db2.gz BATXQVPGPFPZRL-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677054 590608112 /nfs/dbraw/zinc/60/81/12/590608112.db2.gz BATXQVPGPFPZRL-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000878685602 590609409 /nfs/dbraw/zinc/60/94/09/590609409.db2.gz XEFMHBFMDZNJGA-VHSXEESVSA-N 1 2 239.306 1.341 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000878685602 590609414 /nfs/dbraw/zinc/60/94/14/590609414.db2.gz XEFMHBFMDZNJGA-VHSXEESVSA-N 1 2 239.306 1.341 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+](CC(F)F)C[C@H](C)O)C1 ZINC000878684721 590609522 /nfs/dbraw/zinc/60/95/22/590609522.db2.gz YNQHIGHMYXPUHD-LPEHRKFASA-N 1 2 237.290 1.359 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+](CC(F)F)C[C@H](C)O)C1 ZINC000878684721 590609524 /nfs/dbraw/zinc/60/95/24/590609524.db2.gz YNQHIGHMYXPUHD-LPEHRKFASA-N 1 2 237.290 1.359 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CC2(CCC2)C1 ZINC000878726657 590617063 /nfs/dbraw/zinc/61/70/63/590617063.db2.gz SSCJHUMEPFTLPQ-UHFFFAOYSA-N 1 2 237.303 1.787 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CC2(CCC2)C1 ZINC000878726657 590617064 /nfs/dbraw/zinc/61/70/64/590617064.db2.gz SSCJHUMEPFTLPQ-UHFFFAOYSA-N 1 2 237.303 1.787 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](C/C=C\Cl)[C@@H](C)C(=O)N1C ZINC000878751308 590618724 /nfs/dbraw/zinc/61/87/24/590618724.db2.gz XGJHXSUUEHLIJN-XWISAGFESA-N 1 2 230.739 1.678 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](C/C=C\Cl)[C@@H](C)C(=O)N1C ZINC000878751308 590618725 /nfs/dbraw/zinc/61/87/25/590618725.db2.gz XGJHXSUUEHLIJN-XWISAGFESA-N 1 2 230.739 1.678 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878795018 590624122 /nfs/dbraw/zinc/62/41/22/590624122.db2.gz LJVVCSLMEBJMAN-UHFFFAOYSA-N 1 2 216.712 1.339 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878795018 590624121 /nfs/dbraw/zinc/62/41/21/590624121.db2.gz LJVVCSLMEBJMAN-UHFFFAOYSA-N 1 2 216.712 1.339 20 0 BDADLO Cc1noc(C[N@@H+](C)CC[C@@H](O)C(C)C)n1 ZINC000878848318 590633719 /nfs/dbraw/zinc/63/37/19/590633719.db2.gz NUXQMETTXSLEDX-SNVBAGLBSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1noc(C[N@H+](C)CC[C@@H](O)C(C)C)n1 ZINC000878848318 590633720 /nfs/dbraw/zinc/63/37/20/590633720.db2.gz NUXQMETTXSLEDX-SNVBAGLBSA-N 1 2 227.308 1.217 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000878876659 590637448 /nfs/dbraw/zinc/63/74/48/590637448.db2.gz QRAPHZFHDJCYBF-GFCCVEGCSA-N 1 2 246.318 1.358 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000878876659 590637451 /nfs/dbraw/zinc/63/74/51/590637451.db2.gz QRAPHZFHDJCYBF-GFCCVEGCSA-N 1 2 246.318 1.358 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CC2(CCC2)CO1 ZINC000878884647 590639753 /nfs/dbraw/zinc/63/97/53/590639753.db2.gz IAYGVWFYUGAVTE-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CC2(CCC2)CO1 ZINC000878884647 590639755 /nfs/dbraw/zinc/63/97/55/590639755.db2.gz IAYGVWFYUGAVTE-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CC2(CCC2)CO1 ZINC000878884647 590639758 /nfs/dbraw/zinc/63/97/58/590639758.db2.gz IAYGVWFYUGAVTE-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CC2(CCC2)CO1 ZINC000878884647 590639759 /nfs/dbraw/zinc/63/97/59/590639759.db2.gz IAYGVWFYUGAVTE-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000878970661 590664939 /nfs/dbraw/zinc/66/49/39/590664939.db2.gz XATQSLFKQMJWMR-JTQLQIEISA-N 1 2 213.302 1.553 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000878970661 590664941 /nfs/dbraw/zinc/66/49/41/590664941.db2.gz XATQSLFKQMJWMR-JTQLQIEISA-N 1 2 213.302 1.553 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCO1 ZINC000878968943 590663124 /nfs/dbraw/zinc/66/31/24/590663124.db2.gz GEWSMJGUDQSOGZ-VOAKCMCISA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCO1 ZINC000878968943 590663126 /nfs/dbraw/zinc/66/31/26/590663126.db2.gz GEWSMJGUDQSOGZ-VOAKCMCISA-N 1 2 241.331 1.249 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(C2CC2)o1 ZINC000879057193 590689418 /nfs/dbraw/zinc/68/94/18/590689418.db2.gz FHUOCDDBUURZFW-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO COC[C@@](C)(CO)[NH2+]Cc1ncc(C(C)C)o1 ZINC000879163774 590706074 /nfs/dbraw/zinc/70/60/74/590706074.db2.gz MKJKEKVTOPAUQD-GFCCVEGCSA-N 1 2 242.319 1.285 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)Cc2c[nH]nc2C)o1 ZINC000879188235 590710413 /nfs/dbraw/zinc/71/04/13/590710413.db2.gz IKVUHEVDYRTCFR-UHFFFAOYSA-N 1 2 234.303 1.955 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)Cc2c[nH]nc2C)o1 ZINC000879188235 590710416 /nfs/dbraw/zinc/71/04/16/590710416.db2.gz IKVUHEVDYRTCFR-UHFFFAOYSA-N 1 2 234.303 1.955 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccnc(C)n1 ZINC000879188545 590710541 /nfs/dbraw/zinc/71/05/41/590710541.db2.gz NNRPFNXTPZNOSF-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccnc(C)n1 ZINC000879188545 590710545 /nfs/dbraw/zinc/71/05/45/590710545.db2.gz NNRPFNXTPZNOSF-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cnon2)C1 ZINC000879324209 590744933 /nfs/dbraw/zinc/74/49/33/590744933.db2.gz FSJUAGMZONHICT-SCZZXKLOSA-N 1 2 211.265 1.069 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cnon2)C1 ZINC000879324209 590744935 /nfs/dbraw/zinc/74/49/35/590744935.db2.gz FSJUAGMZONHICT-SCZZXKLOSA-N 1 2 211.265 1.069 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566740 590805844 /nfs/dbraw/zinc/80/58/44/590805844.db2.gz XIHYYCZFKTXKGK-IUCAKERBSA-N 1 2 241.385 1.723 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566740 590805846 /nfs/dbraw/zinc/80/58/46/590805846.db2.gz XIHYYCZFKTXKGK-IUCAKERBSA-N 1 2 241.385 1.723 20 0 BDADLO CC[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879765926 590865829 /nfs/dbraw/zinc/86/58/29/590865829.db2.gz RZMKVXGJNIOZOE-MRVPVSSYSA-N 1 2 224.226 1.149 20 0 BDADLO CC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879765926 590865830 /nfs/dbraw/zinc/86/58/30/590865830.db2.gz RZMKVXGJNIOZOE-MRVPVSSYSA-N 1 2 224.226 1.149 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000879615933 590829748 /nfs/dbraw/zinc/82/97/48/590829748.db2.gz RQAMIWOARPJHBM-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1noc(C[N@H+]2C[C@H](O)CC(C)(C)C2)n1 ZINC000879615933 590829750 /nfs/dbraw/zinc/82/97/50/590829750.db2.gz RQAMIWOARPJHBM-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623985 590838354 /nfs/dbraw/zinc/83/83/54/590838354.db2.gz KDFUTIFJBSWALY-IUCAKERBSA-N 1 2 241.360 1.692 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623985 590838357 /nfs/dbraw/zinc/83/83/57/590838357.db2.gz KDFUTIFJBSWALY-IUCAKERBSA-N 1 2 241.360 1.692 20 0 BDADLO COC(=O)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879732282 590857117 /nfs/dbraw/zinc/85/71/17/590857117.db2.gz XBUOFVWGIDGWSF-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CC[C@H](C)O ZINC000879980631 590902433 /nfs/dbraw/zinc/90/24/33/590902433.db2.gz JLPIWODYMKOXAR-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCOC(C)C ZINC000879979923 590902700 /nfs/dbraw/zinc/90/27/00/590902700.db2.gz DKKMCZGERQHLIC-LBPRGKRZSA-N 1 2 243.347 1.733 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)COC1CC1 ZINC000880191361 590955566 /nfs/dbraw/zinc/95/55/66/590955566.db2.gz BSNXFRNAWZTUPB-VIFPVBQESA-N 1 2 237.303 1.259 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H](CF)C2)no1 ZINC000880232033 590961827 /nfs/dbraw/zinc/96/18/27/590961827.db2.gz FKZUBJAQWIFAEC-SECBINFHSA-N 1 2 227.283 1.814 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H](CF)C2)no1 ZINC000880232033 590961830 /nfs/dbraw/zinc/96/18/30/590961830.db2.gz FKZUBJAQWIFAEC-SECBINFHSA-N 1 2 227.283 1.814 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](CF)C2)no1 ZINC000880234297 590964308 /nfs/dbraw/zinc/96/43/08/590964308.db2.gz HXPADPFCRLGNGB-SECBINFHSA-N 1 2 213.256 1.560 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](CF)C2)no1 ZINC000880234297 590964310 /nfs/dbraw/zinc/96/43/10/590964310.db2.gz HXPADPFCRLGNGB-SECBINFHSA-N 1 2 213.256 1.560 20 0 BDADLO Cc1nnc(C[NH+]2CCC(F)CC2)n1C1CC1 ZINC000880240324 590973901 /nfs/dbraw/zinc/97/39/01/590973901.db2.gz VGHILQRXOKJAAX-UHFFFAOYSA-N 1 2 238.310 1.855 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC(F)CC2)o1 ZINC000880242794 590976629 /nfs/dbraw/zinc/97/66/29/590976629.db2.gz LGELFAIDFCSMFF-SSDOTTSWSA-N 1 2 213.256 1.873 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC(F)CC2)o1 ZINC000880242795 590977046 /nfs/dbraw/zinc/97/70/46/590977046.db2.gz LGELFAIDFCSMFF-ZETCQYMHSA-N 1 2 213.256 1.873 20 0 BDADLO CO[C@@]1(C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000880303144 590998873 /nfs/dbraw/zinc/99/88/73/590998873.db2.gz LRLICHPQWNSHIM-VIFPVBQESA-N 1 2 249.236 1.563 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1noc(C2CC2)n1 ZINC000880440859 591042524 /nfs/dbraw/zinc/04/25/24/591042524.db2.gz LCQCOSKWTBJWPY-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1noc(C2CC2)n1 ZINC000880440859 591042529 /nfs/dbraw/zinc/04/25/29/591042529.db2.gz LCQCOSKWTBJWPY-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO CCCc1nc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)no1 ZINC000880441110 591044927 /nfs/dbraw/zinc/04/49/27/591044927.db2.gz QLWUHDAWLUBFFL-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2[C@@H](C)CC[C@H]2CO)no1 ZINC000880441110 591044932 /nfs/dbraw/zinc/04/49/32/591044932.db2.gz QLWUHDAWLUBFFL-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000880449492 591047872 /nfs/dbraw/zinc/04/78/72/591047872.db2.gz ANJDBGNOJSPCNZ-SECBINFHSA-N 1 2 209.249 1.016 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000880449492 591047876 /nfs/dbraw/zinc/04/78/76/591047876.db2.gz ANJDBGNOJSPCNZ-SECBINFHSA-N 1 2 209.249 1.016 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1noc2c1CCCC2 ZINC000880485010 591057539 /nfs/dbraw/zinc/05/75/39/591057539.db2.gz AJBYIKUXXCCZJU-SNVBAGLBSA-N 1 2 234.299 1.286 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1noc2c1CCCC2 ZINC000880485010 591057541 /nfs/dbraw/zinc/05/75/41/591057541.db2.gz AJBYIKUXXCCZJU-SNVBAGLBSA-N 1 2 234.299 1.286 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000880484597 591059169 /nfs/dbraw/zinc/05/91/69/591059169.db2.gz QPAVNDKWRGDLLQ-VIFPVBQESA-N 1 2 247.254 1.062 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000880484597 591059174 /nfs/dbraw/zinc/05/91/74/591059174.db2.gz QPAVNDKWRGDLLQ-VIFPVBQESA-N 1 2 247.254 1.062 20 0 BDADLO COCC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000880596650 591106015 /nfs/dbraw/zinc/10/60/15/591106015.db2.gz VZTOMFBJRPUGMN-UHFFFAOYSA-N 1 2 245.282 1.053 20 0 BDADLO CCONC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000880609675 591110051 /nfs/dbraw/zinc/11/00/51/591110051.db2.gz QGVJXYZIMKAWSC-UHFFFAOYSA-N 1 2 224.264 1.221 20 0 BDADLO C[C@H](CC(=O)NC1CSC1)n1cc[nH+]c1 ZINC000880727291 591128583 /nfs/dbraw/zinc/12/85/83/591128583.db2.gz HRLHYSUVFHWAFC-MRVPVSSYSA-N 1 2 225.317 1.066 20 0 BDADLO Cc1cn2ccc(NC(=O)COC3CC3)cc2[nH+]1 ZINC000880760461 591139022 /nfs/dbraw/zinc/13/90/22/591139022.db2.gz UJSLRRICRGHAKZ-UHFFFAOYSA-N 1 2 245.282 1.760 20 0 BDADLO C[C@H]1CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000881479787 591208633 /nfs/dbraw/zinc/20/86/33/591208633.db2.gz GCBVJOCZYHWFSY-VIFPVBQESA-N 1 2 215.256 1.569 20 0 BDADLO CCCNC(=O)CNc1nc[nH+]c(C)c1C ZINC000881771253 591270154 /nfs/dbraw/zinc/27/01/54/591270154.db2.gz OIZMJDKTQDGNHT-UHFFFAOYSA-N 1 2 222.292 1.032 20 0 BDADLO Cc1noc(C)c1CN(C)c1cc(CO)cc[nH+]1 ZINC000881797145 591271759 /nfs/dbraw/zinc/27/17/59/591271759.db2.gz HIZHVFOXERMKGU-UHFFFAOYSA-N 1 2 247.298 1.815 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)C2CC2)c1C ZINC000881914682 591278110 /nfs/dbraw/zinc/27/81/10/591278110.db2.gz AUAUSQRDVDAAQC-SNVBAGLBSA-N 1 2 207.277 1.276 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1nc[nH+]c(C)c1C ZINC000881977082 591284537 /nfs/dbraw/zinc/28/45/37/591284537.db2.gz JYZFKRYOWGULPA-KWQFWETISA-N 1 2 223.320 1.912 20 0 BDADLO COCC[C@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000881969349 591285038 /nfs/dbraw/zinc/28/50/38/591285038.db2.gz MXMRJFYWAAJXIJ-LBPRGKRZSA-N 1 2 239.319 1.293 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@]3(CCOC3)C2)c1C ZINC000882082372 591294720 /nfs/dbraw/zinc/29/47/20/591294720.db2.gz PDTCFZCXZMRLDK-ZDUSSCGKSA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2COC(C)(C)O2)c1C ZINC000882111712 591299714 /nfs/dbraw/zinc/29/97/14/591299714.db2.gz VNDUXTVUWLQBGX-SNVBAGLBSA-N 1 2 237.303 1.657 20 0 BDADLO Cc1[nH+]cnc(NCC(C)(C)CO)c1C ZINC000882116548 591299739 /nfs/dbraw/zinc/29/97/39/591299739.db2.gz VGNBSSWCRHIWQP-UHFFFAOYSA-N 1 2 209.293 1.524 20 0 BDADLO Cc1[nH+]cnc(NCCC[C@@H](C)CO)c1C ZINC000882136266 591304105 /nfs/dbraw/zinc/30/41/05/591304105.db2.gz OEXDTHCMFXLFQS-SECBINFHSA-N 1 2 223.320 1.914 20 0 BDADLO Cc1cc(CNc2nc[nH+]c(C)c2C)ncn1 ZINC000882137073 591304266 /nfs/dbraw/zinc/30/42/66/591304266.db2.gz XHPQSMRZQFBYAM-UHFFFAOYSA-N 1 2 229.287 1.804 20 0 BDADLO CO[C@]1(CNc2nc[nH+]c(C)c2C)CCOC1 ZINC000882191747 591314722 /nfs/dbraw/zinc/31/47/22/591314722.db2.gz RMAXUJSBBLJPBS-LBPRGKRZSA-N 1 2 237.303 1.311 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](O)C(C)(C)C2)c1C ZINC000882238747 591319878 /nfs/dbraw/zinc/31/98/78/591319878.db2.gz PFAKRRBKNUFJHJ-NSHDSACASA-N 1 2 235.331 1.691 20 0 BDADLO Cc1ccc(CN2C(=O)COC2=O)c(C)[nH+]1 ZINC000882275778 591324965 /nfs/dbraw/zinc/32/49/65/591324965.db2.gz APBVNKGCWIPFMU-UHFFFAOYSA-N 1 2 220.228 1.177 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@](C)(O)CC2)c1C ZINC000882285837 591326388 /nfs/dbraw/zinc/32/63/88/591326388.db2.gz CMBIWBFQRPVIBL-ZDUSSCGKSA-N 1 2 235.331 1.835 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2[C@@H]3COC[C@@H]32)c1C ZINC000882289593 591326527 /nfs/dbraw/zinc/32/65/27/591326527.db2.gz SYIYSEQDRKVHQC-MYJAWHEDSA-N 1 2 205.261 1.150 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](CCCO)C2)c1C ZINC000882435115 591348389 /nfs/dbraw/zinc/34/83/89/591348389.db2.gz WBJAJRVRLZFVEV-GFCCVEGCSA-N 1 2 235.331 1.692 20 0 BDADLO COC(=O)[C@@H](F)CNc1cc(C2CC2)[nH+]cn1 ZINC000882443562 591349743 /nfs/dbraw/zinc/34/97/43/591349743.db2.gz VNHCJUYUPSJSDY-QMMMGPOBSA-N 1 2 239.250 1.277 20 0 BDADLO COCCCCN(C)c1nc[nH+]c(C)c1C ZINC000882467633 591353247 /nfs/dbraw/zinc/35/32/47/591353247.db2.gz GVKCIKLVKCZZPX-UHFFFAOYSA-N 1 2 223.320 1.956 20 0 BDADLO Cc1[nH+]cnc(NCCCc2ncnn2C)c1C ZINC000882510646 591379652 /nfs/dbraw/zinc/37/96/52/591379652.db2.gz GBGPWJMBXTVDLU-UHFFFAOYSA-N 1 2 246.318 1.267 20 0 BDADLO Cc1[nH+]cnc(N(C)CC2=CCCOC2)c1C ZINC000882618003 591400176 /nfs/dbraw/zinc/40/01/76/591400176.db2.gz CVIAZUFNGULFQM-UHFFFAOYSA-N 1 2 233.315 1.876 20 0 BDADLO COC(=O)N(C)CCNc1nc[nH+]c(C)c1C ZINC000882623019 591401768 /nfs/dbraw/zinc/40/17/68/591401768.db2.gz FKFUCXNCVUWKNT-UHFFFAOYSA-N 1 2 238.291 1.204 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000882681642 591411872 /nfs/dbraw/zinc/41/18/72/591411872.db2.gz POTNHULQKWFYJH-FFNLUWKOSA-N 1 2 246.310 1.409 20 0 BDADLO COC(=O)C1CC(Nc2nc[nH+]c(C)c2C)C1 ZINC000882701615 591414091 /nfs/dbraw/zinc/41/40/91/591414091.db2.gz YDNQSMSYWIORSU-UHFFFAOYSA-N 1 2 235.287 1.457 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1ccnn1C ZINC000882706140 591415811 /nfs/dbraw/zinc/41/58/11/591415811.db2.gz MBFLREQDBVVNHL-VIFPVBQESA-N 1 2 232.287 1.481 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](C(C)(C)O)C2)c1C ZINC000882720974 591421799 /nfs/dbraw/zinc/42/17/99/591421799.db2.gz QTACTCOPVODTKV-NSHDSACASA-N 1 2 235.331 1.691 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc(CO)cc[nH+]2)C1 ZINC000882797158 591440978 /nfs/dbraw/zinc/44/09/78/591440978.db2.gz WTYMLODOZRDIKS-XYPYZODXSA-N 1 2 222.288 1.411 20 0 BDADLO C=C/C=C\CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000882796413 591441371 /nfs/dbraw/zinc/44/13/71/591441371.db2.gz WRENPQRONCBMBK-WYGGZMRJSA-N 1 2 248.330 1.814 20 0 BDADLO C=C/C=C\CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000882796413 591441375 /nfs/dbraw/zinc/44/13/75/591441375.db2.gz WRENPQRONCBMBK-WYGGZMRJSA-N 1 2 248.330 1.814 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000213156821 591449986 /nfs/dbraw/zinc/44/99/86/591449986.db2.gz OGZNQGDUUKHXDQ-ZDUSSCGKSA-N 1 2 242.326 1.982 20 0 BDADLO C[C@H](O)c1ccc(N(C)C[C@@H]2CCCO2)[nH+]c1 ZINC000213243302 591457232 /nfs/dbraw/zinc/45/72/32/591457232.db2.gz LVINPUGGZWKWNI-JQWIXIFHSA-N 1 2 236.315 1.750 20 0 BDADLO C[C@H](O)c1ccc(N2CCC(C)(O)CC2)[nH+]c1 ZINC000213292719 591460583 /nfs/dbraw/zinc/46/05/83/591460583.db2.gz HORWLRJZRQHZTE-JTQLQIEISA-N 1 2 236.315 1.486 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3C[C@]3(O)C2)cc[nH+]1 ZINC000882934387 591477995 /nfs/dbraw/zinc/47/79/95/591477995.db2.gz GXUWXNXBCXXNEJ-CABZTGNLSA-N 1 2 219.288 1.171 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@H](C)c1ncccn1 ZINC000882981689 591492414 /nfs/dbraw/zinc/49/24/14/591492414.db2.gz RACYZVIWNCNSHL-JGVFFNPUSA-N 1 2 224.264 1.071 20 0 BDADLO CCc1cc(C[NH2+]Cc2cc(C)on2)[nH]n1 ZINC000882997459 591500750 /nfs/dbraw/zinc/50/07/50/591500750.db2.gz PBQPFTDEGFKJHI-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO Cc1cc(C)c(CO[NH+]=C(N)CO)c(C)c1 ZINC000883010299 591510631 /nfs/dbraw/zinc/51/06/31/591510631.db2.gz KQNXHINRZNVITG-UHFFFAOYSA-N 1 2 222.288 1.603 20 0 BDADLO NC(CO)=[NH+]OCCc1ccccc1Cl ZINC000883011384 591510886 /nfs/dbraw/zinc/51/08/86/591510886.db2.gz SVUOHSOGJVYURB-UHFFFAOYSA-N 1 2 228.679 1.373 20 0 BDADLO NC(CO)=[NH+]OCC/C=C\c1ccccc1 ZINC000883012855 591512599 /nfs/dbraw/zinc/51/25/99/591512599.db2.gz VVHFCMUOPLODJG-YWEYNIOJSA-N 1 2 220.272 1.581 20 0 BDADLO COC1CC(O[NH+]=C(N)c2ccccc2)C1 ZINC000883048829 591528173 /nfs/dbraw/zinc/52/81/73/591528173.db2.gz WRKWQKIMYPTFNW-UHFFFAOYSA-N 1 2 220.272 1.711 20 0 BDADLO COc1cc(C)[nH+]c(Cn2cc([C@H](C)O)nn2)c1 ZINC000214296826 591545415 /nfs/dbraw/zinc/54/54/15/591545415.db2.gz UVLIERBPINOQEP-VIFPVBQESA-N 1 2 248.286 1.092 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C=CCC1 ZINC000883143405 591549833 /nfs/dbraw/zinc/54/98/33/591549833.db2.gz JXOQQHRZTUUWHQ-NEPJUHHUSA-N 1 2 248.330 1.537 20 0 BDADLO Cc1cc(NCc2cnn(C)n2)c[nH+]c1C ZINC000883341062 591620358 /nfs/dbraw/zinc/62/03/58/591620358.db2.gz HNGCGDUBOKIAFV-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC1=C(C(=O)Nc2cc[nH+]cc2O)CCCO1 ZINC000131596258 591625094 /nfs/dbraw/zinc/62/50/94/591625094.db2.gz SAHGCOHWNZGPTJ-UHFFFAOYSA-N 1 2 234.255 1.810 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc2c(cnn2C)c1)C(F)F ZINC000883408453 591651127 /nfs/dbraw/zinc/65/11/27/591651127.db2.gz XLKZKTOAYCDSRO-SSDOTTSWSA-N 1 2 240.257 1.712 20 0 BDADLO C/C(=C\C[NH+]1CCC([NH+](C)C)CC1)C(=O)[O-] ZINC000214603673 591675965 /nfs/dbraw/zinc/67/59/65/591675965.db2.gz NPASSOIIPVUQLJ-ONNFQVAWSA-N 1 2 226.320 1.043 20 0 BDADLO CC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000132032818 591685333 /nfs/dbraw/zinc/68/53/33/591685333.db2.gz BSLSZYQFQDKGDQ-UHFFFAOYSA-N 1 2 215.293 1.239 20 0 BDADLO CC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000132032818 591685331 /nfs/dbraw/zinc/68/53/31/591685331.db2.gz BSLSZYQFQDKGDQ-UHFFFAOYSA-N 1 2 215.293 1.239 20 0 BDADLO O=C(C=Cc1cccs1)NCc1c[nH+]c[nH]1 ZINC000214663709 591702180 /nfs/dbraw/zinc/70/21/80/591702180.db2.gz CQIPXGYVEGTYBV-ARJAWSKDSA-N 1 2 233.296 1.801 20 0 BDADLO O=C(C=Cc1cccs1)NCc1c[nH]c[nH+]1 ZINC000214663709 591702181 /nfs/dbraw/zinc/70/21/81/591702181.db2.gz CQIPXGYVEGTYBV-ARJAWSKDSA-N 1 2 233.296 1.801 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000883669863 591715138 /nfs/dbraw/zinc/71/51/38/591715138.db2.gz SMKCUXRVJDECBC-BDAKNGLRSA-N 1 2 220.276 1.132 20 0 BDADLO CCOCC[N@H+](CC)Cc1cn(CC)nn1 ZINC000884001620 591791712 /nfs/dbraw/zinc/79/17/12/591791712.db2.gz WFVOSMIUHUNYNB-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cn(CC)nn1 ZINC000884001620 591791715 /nfs/dbraw/zinc/79/17/15/591791715.db2.gz WFVOSMIUHUNYNB-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CC/C=C(/C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800106025 591823333 /nfs/dbraw/zinc/82/33/33/591823333.db2.gz AACLYEKRKASVJS-QJGQKNTRSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C(/C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800106025 591823336 /nfs/dbraw/zinc/82/33/36/591823336.db2.gz AACLYEKRKASVJS-QJGQKNTRSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)c2ccoc2)CCO1 ZINC000800123696 591825799 /nfs/dbraw/zinc/82/57/99/591825799.db2.gz ZOGVUACWKYSHBA-SNVBAGLBSA-N 1 2 239.271 1.157 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)c2ccoc2)CCO1 ZINC000800123696 591825802 /nfs/dbraw/zinc/82/58/02/591825802.db2.gz ZOGVUACWKYSHBA-SNVBAGLBSA-N 1 2 239.271 1.157 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)/C=C\C2CC2)CCO1 ZINC000800176138 591831562 /nfs/dbraw/zinc/83/15/62/591831562.db2.gz YKYVGLRIWSOVPS-WYGGZMRJSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)/C=C\C2CC2)CCO1 ZINC000800176138 591831566 /nfs/dbraw/zinc/83/15/66/591831566.db2.gz YKYVGLRIWSOVPS-WYGGZMRJSA-N 1 2 239.315 1.217 20 0 BDADLO C/C=C(/C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800179482 591832438 /nfs/dbraw/zinc/83/24/38/591832438.db2.gz OIEDDYDJBANTLT-NEOSZVFXSA-N 1 2 227.304 1.217 20 0 BDADLO C/C=C(/C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800179482 591832441 /nfs/dbraw/zinc/83/24/41/591832441.db2.gz OIEDDYDJBANTLT-NEOSZVFXSA-N 1 2 227.304 1.217 20 0 BDADLO C/C=C(/C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800179477 591832646 /nfs/dbraw/zinc/83/26/46/591832646.db2.gz OIEDDYDJBANTLT-FGUAACIASA-N 1 2 227.304 1.217 20 0 BDADLO C/C=C(/C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800179477 591832649 /nfs/dbraw/zinc/83/26/49/591832649.db2.gz OIEDDYDJBANTLT-FGUAACIASA-N 1 2 227.304 1.217 20 0 BDADLO C/C=C(\C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800179480 591832866 /nfs/dbraw/zinc/83/28/66/591832866.db2.gz OIEDDYDJBANTLT-LLMHMKPQSA-N 1 2 227.304 1.217 20 0 BDADLO C/C=C(\C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800179480 591832869 /nfs/dbraw/zinc/83/28/69/591832869.db2.gz OIEDDYDJBANTLT-LLMHMKPQSA-N 1 2 227.304 1.217 20 0 BDADLO CC(C)=C(C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800178714 591832890 /nfs/dbraw/zinc/83/28/90/591832890.db2.gz BDJLKNXLEUMWJU-LLVKDONJSA-N 1 2 241.331 1.607 20 0 BDADLO CC(C)=C(C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800178714 591832892 /nfs/dbraw/zinc/83/28/92/591832892.db2.gz BDJLKNXLEUMWJU-LLVKDONJSA-N 1 2 241.331 1.607 20 0 BDADLO CCc1nc(N2C[C@H](O)C(C)(C)C2)cc[nH+]1 ZINC000884491039 591955218 /nfs/dbraw/zinc/95/52/18/591955218.db2.gz LTVOPMIAOMTIEJ-VIFPVBQESA-N 1 2 221.304 1.246 20 0 BDADLO CCc1nc(N(C)C[C@@H](C)OC)cc[nH+]1 ZINC000884507572 591959580 /nfs/dbraw/zinc/95/95/80/591959580.db2.gz HKNKNQVUYZQJTE-SECBINFHSA-N 1 2 209.293 1.510 20 0 BDADLO CCc1nc(NC[C@@H](CO)C(C)C)cc[nH+]1 ZINC000884508796 591961249 /nfs/dbraw/zinc/96/12/49/591961249.db2.gz OSEMQCMNLPGPBC-JTQLQIEISA-N 1 2 223.320 1.715 20 0 BDADLO CCc1nccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000884511348 591961354 /nfs/dbraw/zinc/96/13/54/591961354.db2.gz DIYDGZLUKBTMEF-SECBINFHSA-N 1 2 243.314 1.732 20 0 BDADLO CCc1nccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000884511348 591961357 /nfs/dbraw/zinc/96/13/57/591961357.db2.gz DIYDGZLUKBTMEF-SECBINFHSA-N 1 2 243.314 1.732 20 0 BDADLO CCc1nc(NC(CF)CF)cc[nH+]1 ZINC000884518587 591963987 /nfs/dbraw/zinc/96/39/87/591963987.db2.gz UJNMNVYRPMIKDL-UHFFFAOYSA-N 1 2 201.220 1.759 20 0 BDADLO CCc1nc(NC(COC)COC)cc[nH+]1 ZINC000884522012 591965309 /nfs/dbraw/zinc/96/53/09/591965309.db2.gz NFHQQMFDSRYMPQ-UHFFFAOYSA-N 1 2 225.292 1.112 20 0 BDADLO CCc1nc(N2CC(C)(C)[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000884525149 591965763 /nfs/dbraw/zinc/96/57/63/591965763.db2.gz ODDVJYGHYNQAGA-MNOVXSKESA-N 1 2 247.342 1.900 20 0 BDADLO CCc1nc(NCC2(CC)COC2)cc[nH+]1 ZINC000884523285 591966039 /nfs/dbraw/zinc/96/60/39/591966039.db2.gz TZSFSPGCNCWMGI-UHFFFAOYSA-N 1 2 221.304 1.878 20 0 BDADLO CCc1nc(NC[C@@]2(C)CCC(=O)N2)cc[nH+]1 ZINC000884525759 591966307 /nfs/dbraw/zinc/96/63/07/591966307.db2.gz CWVPSDSLVRQNIZ-GFCCVEGCSA-N 1 2 234.303 1.120 20 0 BDADLO CCc1nc(N[C@@H](C)c2ccn(C)n2)cc[nH+]1 ZINC000884527859 591966609 /nfs/dbraw/zinc/96/66/09/591966609.db2.gz BABWZWDEIWAOCU-VIFPVBQESA-N 1 2 231.303 1.946 20 0 BDADLO CCc1nc(NCCN2CCCC2=O)cc[nH+]1 ZINC000884544546 591973637 /nfs/dbraw/zinc/97/36/37/591973637.db2.gz JMNXBUCFKABXBO-UHFFFAOYSA-N 1 2 234.303 1.073 20 0 BDADLO CCc1nc(N2CC[C@@H](O)C(F)(F)C2)cc[nH+]1 ZINC000884555559 591977422 /nfs/dbraw/zinc/97/74/22/591977422.db2.gz UNONQFQHNPKUDM-MRVPVSSYSA-N 1 2 243.257 1.245 20 0 BDADLO CCc1nc(N[C@H]2C[C@H](O)C23CCC3)cc[nH+]1 ZINC000884557816 591978235 /nfs/dbraw/zinc/97/82/35/591978235.db2.gz AIXZOXQRDZJKDY-UWVGGRQHSA-N 1 2 233.315 1.754 20 0 BDADLO CCc1nc(NCCc2cncc(C)n2)cc[nH+]1 ZINC000884557902 591979093 /nfs/dbraw/zinc/97/90/93/591979093.db2.gz CYUUGTHYIUSYGP-UHFFFAOYSA-N 1 2 243.314 1.792 20 0 BDADLO CCc1nc(N2CC[C@@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000884562250 591980578 /nfs/dbraw/zinc/98/05/78/591980578.db2.gz VWAPICMQBKBYTJ-MNOVXSKESA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N[C@@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000884562589 591981082 /nfs/dbraw/zinc/98/10/82/591981082.db2.gz DYOWVTLCRIYIRO-SNVBAGLBSA-N 1 2 234.303 1.072 20 0 BDADLO CCCNc1cc(NCC[C@H](O)CC)nc[nH+]1 ZINC000135208060 591997327 /nfs/dbraw/zinc/99/73/27/591997327.db2.gz AKORAJXHHPOCIO-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NCC[C@H](O)CC)[nH+]cn1 ZINC000135208060 591997328 /nfs/dbraw/zinc/99/73/28/591997328.db2.gz AKORAJXHHPOCIO-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CSCc1nc(CNc2cccc(C)[nH+]2)n[nH]1 ZINC000884695325 592012046 /nfs/dbraw/zinc/01/20/46/592012046.db2.gz SZGYHCKIOISVAU-UHFFFAOYSA-N 1 2 249.343 1.983 20 0 BDADLO CSCc1n[nH]c(CNc2cccc(C)[nH+]2)n1 ZINC000884695325 592012051 /nfs/dbraw/zinc/01/20/51/592012051.db2.gz SZGYHCKIOISVAU-UHFFFAOYSA-N 1 2 249.343 1.983 20 0 BDADLO CSCc1nnc(CNc2cccc(C)[nH+]2)[nH]1 ZINC000884695325 592012053 /nfs/dbraw/zinc/01/20/53/592012053.db2.gz SZGYHCKIOISVAU-UHFFFAOYSA-N 1 2 249.343 1.983 20 0 BDADLO C[C@H]1CCC(=O)CN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000885065711 592043998 /nfs/dbraw/zinc/04/39/98/592043998.db2.gz GOIVRDJGPOSUDJ-RWCYGVJQSA-N 1 2 247.298 1.013 20 0 BDADLO COCCOC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000885096619 592052504 /nfs/dbraw/zinc/05/25/04/592052504.db2.gz KOGSTPWLWHAMHG-SECBINFHSA-N 1 2 239.275 1.330 20 0 BDADLO COCCOC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000885219739 592058406 /nfs/dbraw/zinc/05/84/06/592058406.db2.gz BLQGOCHUKWVKOT-RKDXNWHRSA-N 1 2 239.275 1.262 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)OCCOC ZINC000885216060 592058716 /nfs/dbraw/zinc/05/87/16/592058716.db2.gz CUDBXSVGFPJRTD-SECBINFHSA-N 1 2 241.291 1.337 20 0 BDADLO Cc1[nH]nc(CN[C@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000885975239 592118835 /nfs/dbraw/zinc/11/88/35/592118835.db2.gz OFAQIOIDSUSFLE-ZDUSSCGKSA-N 1 2 248.374 1.600 20 0 BDADLO Cc1[nH]nc(CN[C@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000885975239 592118836 /nfs/dbraw/zinc/11/88/36/592118836.db2.gz OFAQIOIDSUSFLE-ZDUSSCGKSA-N 1 2 248.374 1.600 20 0 BDADLO COCC[N@@H+]1CC[C@H](NCc2cc(C)co2)C1 ZINC000885974994 592119334 /nfs/dbraw/zinc/11/93/34/592119334.db2.gz HTPYRRXKHFTIPK-LBPRGKRZSA-N 1 2 238.331 1.398 20 0 BDADLO COCC[N@H+]1CC[C@H](NCc2cc(C)co2)C1 ZINC000885974994 592119335 /nfs/dbraw/zinc/11/93/35/592119335.db2.gz HTPYRRXKHFTIPK-LBPRGKRZSA-N 1 2 238.331 1.398 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080791 592144670 /nfs/dbraw/zinc/14/46/70/592144670.db2.gz FZJRLHOVHXJMJL-TZMCWYRMSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080791 592144673 /nfs/dbraw/zinc/14/46/73/592144673.db2.gz FZJRLHOVHXJMJL-TZMCWYRMSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080791 592144674 /nfs/dbraw/zinc/14/46/74/592144674.db2.gz FZJRLHOVHXJMJL-TZMCWYRMSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080791 592144677 /nfs/dbraw/zinc/14/46/77/592144677.db2.gz FZJRLHOVHXJMJL-TZMCWYRMSA-N 1 2 247.342 1.725 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886091872 592146377 /nfs/dbraw/zinc/14/63/77/592146377.db2.gz IMLDKWIJRFMWJF-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886091872 592146380 /nfs/dbraw/zinc/14/63/80/592146380.db2.gz IMLDKWIJRFMWJF-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000889316189 592150357 /nfs/dbraw/zinc/15/03/57/592150357.db2.gz ZSFLROXGAYULFB-KSOFABFVSA-N 1 2 249.314 1.069 20 0 BDADLO C[C@]1(O)CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000218067498 592151832 /nfs/dbraw/zinc/15/18/32/592151832.db2.gz AOTIKPFPUSHNEK-NZGHECTNSA-N 1 2 210.104 1.762 20 0 BDADLO C[C@]1(O)CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000218067498 592151833 /nfs/dbraw/zinc/15/18/33/592151833.db2.gz AOTIKPFPUSHNEK-NZGHECTNSA-N 1 2 210.104 1.762 20 0 BDADLO FC1(F)CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886117012 592154179 /nfs/dbraw/zinc/15/41/79/592154179.db2.gz XKXLZWUYKWVVLB-VHSXEESVSA-N 1 2 217.259 1.754 20 0 BDADLO FC1(F)CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886117012 592154182 /nfs/dbraw/zinc/15/41/82/592154182.db2.gz XKXLZWUYKWVVLB-VHSXEESVSA-N 1 2 217.259 1.754 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2C[C@@]23CCOC3)no1 ZINC000886116638 592157398 /nfs/dbraw/zinc/15/73/98/592157398.db2.gz MNOJYXWNQSCGKT-CMPLNLGQSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2C[C@@]23CCOC3)no1 ZINC000886116638 592157400 /nfs/dbraw/zinc/15/74/00/592157400.db2.gz MNOJYXWNQSCGKT-CMPLNLGQSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1C ZINC000886129526 592159724 /nfs/dbraw/zinc/15/97/24/592159724.db2.gz HRDQJNKVRXQVMF-UHFFFAOYSA-N 1 2 246.318 1.312 20 0 BDADLO CCn1ccc(C[NH2+]Cc2[nH]nc(C)c2C)n1 ZINC000886145096 592162869 /nfs/dbraw/zinc/16/28/69/592162869.db2.gz OUPDSCKFQKVDBV-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886183766 592171439 /nfs/dbraw/zinc/17/14/39/592171439.db2.gz MTWJNCLNSABCMF-WCQGTBRESA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886183766 592171441 /nfs/dbraw/zinc/17/14/41/592171441.db2.gz MTWJNCLNSABCMF-WCQGTBRESA-N 1 2 241.331 1.437 20 0 BDADLO Cc1[nH]nc(NCc2[nH+]ccn2C)c1C ZINC000886196504 592174087 /nfs/dbraw/zinc/17/40/87/592174087.db2.gz VCRVPJXWKRMGHC-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO C[C@]1([NH2+]CCSC(F)(F)F)CCOC1=O ZINC000886211773 592177256 /nfs/dbraw/zinc/17/72/56/592177256.db2.gz XMTHNBROHKVFRC-ZETCQYMHSA-N 1 2 243.250 1.535 20 0 BDADLO [NH3+]CCCCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000137903632 592223510 /nfs/dbraw/zinc/22/35/10/592223510.db2.gz RTWBNZZGEXWWDT-UHFFFAOYSA-N 1 2 247.302 1.416 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCCn2nncc2C1 ZINC000886466821 592229215 /nfs/dbraw/zinc/22/92/15/592229215.db2.gz LEQPLDDEZNGUOJ-UHFFFAOYSA-N 1 2 230.262 1.529 20 0 BDADLO CCC(F)(F)C[N@H+]1CCCn2nncc2C1 ZINC000886466821 592229217 /nfs/dbraw/zinc/22/92/17/592229217.db2.gz LEQPLDDEZNGUOJ-UHFFFAOYSA-N 1 2 230.262 1.529 20 0 BDADLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000886527818 592246319 /nfs/dbraw/zinc/24/63/19/592246319.db2.gz AGZYNWYGJDZFDV-IUCAKERBSA-N 1 2 225.292 1.238 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)CCCF)C2 ZINC000886607974 592274510 /nfs/dbraw/zinc/27/45/10/592274510.db2.gz DXNSSPLCPMDVHX-UHFFFAOYSA-N 1 2 239.294 1.537 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)[nH]1 ZINC000886686130 592304361 /nfs/dbraw/zinc/30/43/61/592304361.db2.gz KKDMMTDRYPAXPH-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)[nH]1 ZINC000886686130 592304366 /nfs/dbraw/zinc/30/43/66/592304366.db2.gz KKDMMTDRYPAXPH-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)no1 ZINC000886836060 592357275 /nfs/dbraw/zinc/35/72/75/592357275.db2.gz VCOLZIJCEWLBOH-QWRGUYRKSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)no1 ZINC000886836060 592357280 /nfs/dbraw/zinc/35/72/80/592357280.db2.gz VCOLZIJCEWLBOH-QWRGUYRKSA-N 1 2 237.303 1.379 20 0 BDADLO CC[C@@H](NC(=O)c1cccc(F)n1)c1[nH]cc[nH+]1 ZINC000139420183 592398706 /nfs/dbraw/zinc/39/87/06/592398706.db2.gz CFTPESQSSQNRJZ-MRVPVSSYSA-N 1 2 248.261 1.825 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCCF)[nH]1 ZINC000887142432 592454475 /nfs/dbraw/zinc/45/44/75/592454475.db2.gz JUUPZDCNUIJNSM-UHFFFAOYSA-N 1 2 214.288 1.720 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCCF)[nH]1 ZINC000887142432 592454477 /nfs/dbraw/zinc/45/44/77/592454477.db2.gz JUUPZDCNUIJNSM-UHFFFAOYSA-N 1 2 214.288 1.720 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCF)s1 ZINC000887141145 592458127 /nfs/dbraw/zinc/45/81/27/592458127.db2.gz HNWXHHRQUABTFF-UHFFFAOYSA-N 1 2 217.313 1.892 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCF)s1 ZINC000887141145 592458129 /nfs/dbraw/zinc/45/81/29/592458129.db2.gz HNWXHHRQUABTFF-UHFFFAOYSA-N 1 2 217.313 1.892 20 0 BDADLO C[N@H+](CCCF)Cc1nc(CC2CC2)no1 ZINC000887142781 592459832 /nfs/dbraw/zinc/45/98/32/592459832.db2.gz ZTBJYDBQDPEMQS-UHFFFAOYSA-N 1 2 227.283 1.814 20 0 BDADLO C[N@@H+](CCCF)Cc1nc(CC2CC2)no1 ZINC000887142781 592459836 /nfs/dbraw/zinc/45/98/36/592459836.db2.gz ZTBJYDBQDPEMQS-UHFFFAOYSA-N 1 2 227.283 1.814 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC000887238847 592469863 /nfs/dbraw/zinc/46/98/63/592469863.db2.gz WGASDFURTHYOSP-SNVBAGLBSA-N 1 2 237.303 1.660 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC000887238847 592469866 /nfs/dbraw/zinc/46/98/66/592469866.db2.gz WGASDFURTHYOSP-SNVBAGLBSA-N 1 2 237.303 1.660 20 0 BDADLO CC(=O)[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000887247093 592471498 /nfs/dbraw/zinc/47/14/98/592471498.db2.gz NQSIPOSBHWSDRH-XYPYZODXSA-N 1 2 249.314 1.216 20 0 BDADLO CC(=O)[C@H]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000887247093 592471499 /nfs/dbraw/zinc/47/14/99/592471499.db2.gz NQSIPOSBHWSDRH-XYPYZODXSA-N 1 2 249.314 1.216 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](C)[C@@H]2C)c(C)c[nH+]1 ZINC000887935813 592560599 /nfs/dbraw/zinc/56/05/99/592560599.db2.gz KLIWJBOXCKLNFZ-ONGXEEELSA-N 1 2 233.315 1.992 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](C(F)(F)F)C1 ZINC000888011629 592565957 /nfs/dbraw/zinc/56/59/57/592565957.db2.gz KPMRXXXHPJDTLS-MRVPVSSYSA-N 1 2 247.220 1.294 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889608246 592627992 /nfs/dbraw/zinc/62/79/92/592627992.db2.gz FJOPEHSPVMTKQP-KXUCPTDWSA-N 1 2 219.288 1.257 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)[nH+]1 ZINC000889613390 592629901 /nfs/dbraw/zinc/62/99/01/592629901.db2.gz ZCZHRNFTYWPEOK-ZMLRMANQSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CSCCCN1C(=O)Cn1cc[nH+]c1 ZINC000889917754 592661772 /nfs/dbraw/zinc/66/17/72/592661772.db2.gz KPDJBBVIICSKKX-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2CC=CCC2)c1 ZINC000890100335 592678819 /nfs/dbraw/zinc/67/88/19/592678819.db2.gz SLIIKYHISORUHG-LLVKDONJSA-N 1 2 233.315 1.783 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C3CC3)CCC2)c1 ZINC000890100579 592678892 /nfs/dbraw/zinc/67/88/92/592678892.db2.gz YSVOPSHBNXBOKI-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO Cc1cnc(F)cc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099975 592679119 /nfs/dbraw/zinc/67/91/19/592679119.db2.gz MXOYNZPOCYGQIX-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2[nH]ccc2C2CC2)c1 ZINC000890104358 592679901 /nfs/dbraw/zinc/67/99/01/592679901.db2.gz JYFITHUOIMRCKS-UHFFFAOYSA-N 1 2 244.298 1.556 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000890103680 592680465 /nfs/dbraw/zinc/68/04/65/592680465.db2.gz OPVOVYGCSQZFBC-MVWJERBFSA-N 1 2 233.315 1.473 20 0 BDADLO CC(=O)CC1(C(=O)NCc2cn(C)c[nH+]2)CCC1 ZINC000890107346 592680928 /nfs/dbraw/zinc/68/09/28/592680928.db2.gz KZLZIUBRSMZCBY-UHFFFAOYSA-N 1 2 249.314 1.186 20 0 BDADLO CC(C)=C(C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890105124 592681836 /nfs/dbraw/zinc/68/18/36/592681836.db2.gz WVQWFJKUBLKJBK-UHFFFAOYSA-N 1 2 221.304 1.783 20 0 BDADLO CC(C)OCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890109200 592682491 /nfs/dbraw/zinc/68/24/91/592682491.db2.gz GGKDOACTIUFMAQ-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2ncoc2C2CC2)c1 ZINC000890108296 592683504 /nfs/dbraw/zinc/68/35/04/592683504.db2.gz WUAYLFUVBVDLOR-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCCn2cccc2)c1 ZINC000890110411 592684088 /nfs/dbraw/zinc/68/40/88/592684088.db2.gz OOWVVPPPMIUOBF-UHFFFAOYSA-N 1 2 246.314 1.318 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC23CCC3)c1 ZINC000890110444 592684203 /nfs/dbraw/zinc/68/42/03/592684203.db2.gz PTQSBEQPLMHIKJ-SNVBAGLBSA-N 1 2 219.288 1.227 20 0 BDADLO CCC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113936 592684414 /nfs/dbraw/zinc/68/44/14/592684414.db2.gz CXSBPAONDRVAFH-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO Cc1ccoc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117350 592685715 /nfs/dbraw/zinc/68/57/15/592685715.db2.gz LUCYHJIELQYBJG-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H]1C(F)F ZINC000931428736 634442986 /nfs/dbraw/zinc/44/29/86/634442986.db2.gz VSWYRZRJPPJUFV-XHNCKOQMSA-N 1 2 205.248 1.751 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H]1C(F)F ZINC000931428736 634442988 /nfs/dbraw/zinc/44/29/88/634442988.db2.gz VSWYRZRJPPJUFV-XHNCKOQMSA-N 1 2 205.248 1.751 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncs2)Cc2c[nH]nc21 ZINC000931467705 634464649 /nfs/dbraw/zinc/46/46/49/634464649.db2.gz QMMVLHOCHQFARZ-QMMMGPOBSA-N 1 2 234.328 1.986 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncs2)Cc2c[nH]nc21 ZINC000931467705 634464650 /nfs/dbraw/zinc/46/46/50/634464650.db2.gz QMMVLHOCHQFARZ-QMMMGPOBSA-N 1 2 234.328 1.986 20 0 BDADLO C[C@H](c1nc([C@H](C)[C@@H]2CCCO2)no1)[NH+](C)C ZINC000924175315 634570761 /nfs/dbraw/zinc/57/07/61/634570761.db2.gz OZQVWZMIXNAEQJ-BBBLOLIVSA-N 1 2 239.319 1.975 20 0 BDADLO CCC(=O)N[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001009822059 634593139 /nfs/dbraw/zinc/59/31/39/634593139.db2.gz GUGPSYDRAPEAGW-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001009822059 634593141 /nfs/dbraw/zinc/59/31/41/634593141.db2.gz GUGPSYDRAPEAGW-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)CCC(=O)OCC ZINC000178560177 635453120 /nfs/dbraw/zinc/45/31/20/635453120.db2.gz XVHFGWUYJVMPOP-JTQLQIEISA-N 1 2 245.319 1.213 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)OCC ZINC000178560177 635453125 /nfs/dbraw/zinc/45/31/25/635453125.db2.gz XVHFGWUYJVMPOP-JTQLQIEISA-N 1 2 245.319 1.213 20 0 BDADLO CCCNc1cc(N[C@H](C)C[C@H](C)O)nc[nH+]1 ZINC000228275210 635458122 /nfs/dbraw/zinc/45/81/22/635458122.db2.gz GOLDYBQGVAWITI-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@H](C)C[C@H](C)O)[nH+]cn1 ZINC000228275210 635458127 /nfs/dbraw/zinc/45/81/27/635458127.db2.gz GOLDYBQGVAWITI-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC ZINC000319036697 635490716 /nfs/dbraw/zinc/49/07/16/635490716.db2.gz KLYKFMYBSYGUNL-GMXVVIOVSA-N 1 2 245.363 1.979 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]C1CC(OC)C1 ZINC000234670462 635559599 /nfs/dbraw/zinc/55/95/99/635559599.db2.gz JAUZXFLSPCGWNA-ILDUYXDCSA-N 1 2 229.320 1.341 20 0 BDADLO Nc1ccc(CNC(=O)C2CCC2)c[nH+]1 ZINC000308369872 631306455 /nfs/dbraw/zinc/30/64/55/631306455.db2.gz AAWHJNZTAKISGN-UHFFFAOYSA-N 1 2 205.261 1.080 20 0 BDADLO CO[C@H](C)CCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308391993 631310697 /nfs/dbraw/zinc/31/06/97/631310697.db2.gz NJJRWLCHDKPTKS-SECBINFHSA-N 1 2 237.303 1.095 20 0 BDADLO CC[N@H+](C/C=C\Cl)CC(=O)N(C)C ZINC000308401227 631326714 /nfs/dbraw/zinc/32/67/14/631326714.db2.gz HCQXVXWSKFSEHT-WAYWQWQTSA-N 1 2 204.701 1.149 20 0 BDADLO CC[N@@H+](C/C=C\Cl)CC(=O)N(C)C ZINC000308401227 631326719 /nfs/dbraw/zinc/32/67/19/631326719.db2.gz HCQXVXWSKFSEHT-WAYWQWQTSA-N 1 2 204.701 1.149 20 0 BDADLO Cc1nnc(C[NH2+][C@]23C[C@H]2COC32CCC2)o1 ZINC000933390089 631353152 /nfs/dbraw/zinc/35/31/52/631353152.db2.gz WJYRSDPATFXJNK-JOYOIKCWSA-N 1 2 235.287 1.179 20 0 BDADLO C[N@H+](C/C=C\Cl)Cc1cccc(=O)[nH]1 ZINC000933393991 631356770 /nfs/dbraw/zinc/35/67/70/631356770.db2.gz HMNRPELAEPGRNN-UTCJRWHESA-N 1 2 212.680 1.972 20 0 BDADLO C[N@@H+](C/C=C\Cl)Cc1cccc(=O)[nH]1 ZINC000933393991 631356776 /nfs/dbraw/zinc/35/67/76/631356776.db2.gz HMNRPELAEPGRNN-UTCJRWHESA-N 1 2 212.680 1.972 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933399565 631361377 /nfs/dbraw/zinc/36/13/77/631361377.db2.gz UGBKMGSYWDEZKL-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933399565 631361381 /nfs/dbraw/zinc/36/13/81/631361381.db2.gz UGBKMGSYWDEZKL-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2cccc(=O)[nH]2)n1 ZINC000933402163 631364038 /nfs/dbraw/zinc/36/40/38/631364038.db2.gz PZMUEXHYNVGLJP-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)n1 ZINC000933402163 631364046 /nfs/dbraw/zinc/36/40/46/631364046.db2.gz PZMUEXHYNVGLJP-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO CCOC(=O)[C@H](CC)[NH+]1CCC(C(C)=O)CC1 ZINC000084103609 631434658 /nfs/dbraw/zinc/43/46/58/631434658.db2.gz DJXSZHKZVJARRJ-LBPRGKRZSA-N 1 2 241.331 1.629 20 0 BDADLO CCCNc1cc(NCC(C)(C)O)nc[nH+]1 ZINC000087832095 631483141 /nfs/dbraw/zinc/48/31/41/631483141.db2.gz JJUHYEDDOVIDOU-UHFFFAOYSA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(NCC(C)(C)O)[nH+]cn1 ZINC000087832095 631483149 /nfs/dbraw/zinc/48/31/49/631483149.db2.gz JJUHYEDDOVIDOU-UHFFFAOYSA-N 1 2 224.308 1.481 20 0 BDADLO C[N@H+](CCOCC1CC1)Cn1cc[nH]c1=S ZINC000176104983 631566557 /nfs/dbraw/zinc/56/65/57/631566557.db2.gz LJMKQGDYKAYOHH-UHFFFAOYSA-N 1 2 241.360 1.488 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cn1cc[nH]c1=S ZINC000176104983 631566572 /nfs/dbraw/zinc/56/65/72/631566572.db2.gz LJMKQGDYKAYOHH-UHFFFAOYSA-N 1 2 241.360 1.488 20 0 BDADLO CNc1cc(N[C@H](C)C2CCOCC2)[nH+]cn1 ZINC000234528282 631568612 /nfs/dbraw/zinc/56/86/12/631568612.db2.gz HPPAYFLHCGBHJM-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO C[C@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OC(C)(C)C ZINC000094801693 631580209 /nfs/dbraw/zinc/58/02/09/631580209.db2.gz VLBLHLZSJCUBDG-GWCFXTLKSA-N 1 2 243.347 1.875 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ncccc1Cl ZINC000934010197 631588635 /nfs/dbraw/zinc/58/86/35/631588635.db2.gz AVRZVMGDADDLPD-MRVPVSSYSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ncccc1Cl ZINC000934010197 631588646 /nfs/dbraw/zinc/58/86/46/631588646.db2.gz AVRZVMGDADDLPD-MRVPVSSYSA-N 1 2 212.680 1.302 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2CO)c(C)c1 ZINC000934025958 631604950 /nfs/dbraw/zinc/60/49/50/631604950.db2.gz IJNUQUQHUYZPIQ-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]2CO)c(C)c1 ZINC000934025958 631604954 /nfs/dbraw/zinc/60/49/54/631604954.db2.gz IJNUQUQHUYZPIQ-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1noc2c1CCCC2 ZINC000934023541 631622724 /nfs/dbraw/zinc/62/27/24/631622724.db2.gz IBRHZJCNKRTGFZ-SECBINFHSA-N 1 2 222.288 1.120 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1noc2c1CCCC2 ZINC000934023541 631622729 /nfs/dbraw/zinc/62/27/29/631622729.db2.gz IBRHZJCNKRTGFZ-SECBINFHSA-N 1 2 222.288 1.120 20 0 BDADLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CO ZINC000934031652 631631155 /nfs/dbraw/zinc/63/11/55/631631155.db2.gz QYJCCELINLJLDG-VXGBXAGGSA-N 1 2 248.326 1.389 20 0 BDADLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CO ZINC000934031652 631631159 /nfs/dbraw/zinc/63/11/59/631631159.db2.gz QYJCCELINLJLDG-VXGBXAGGSA-N 1 2 248.326 1.389 20 0 BDADLO COC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000308819563 631707380 /nfs/dbraw/zinc/70/73/80/631707380.db2.gz QCNCUBLJEACTAT-UHFFFAOYSA-N 1 2 207.273 1.010 20 0 BDADLO C[C@@H]1CSCCC[N@@H+]1Cc1csnn1 ZINC000934297323 631762686 /nfs/dbraw/zinc/76/26/86/631762686.db2.gz GDKZJBCVRPSROC-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CSCCC[N@H+]1Cc1csnn1 ZINC000934297323 631762690 /nfs/dbraw/zinc/76/26/90/631762690.db2.gz GDKZJBCVRPSROC-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]([NH2+]C/C=C\Cl)c1nnnn1C1CC1 ZINC000309021666 631802857 /nfs/dbraw/zinc/80/28/57/631802857.db2.gz XNKRPEATISAPHM-BIPIGHIPSA-N 1 2 227.699 1.411 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCCF)C(C)(C)C ZINC000309032334 631806407 /nfs/dbraw/zinc/80/64/07/631806407.db2.gz FQEDMPPPEHDBGK-SECBINFHSA-N 1 2 219.300 1.913 20 0 BDADLO COc1cc(C=O)ccc1OCc1c[nH+]cn1C ZINC000091278540 631877904 /nfs/dbraw/zinc/87/79/04/631877904.db2.gz BRIRTJMRADXRRA-UHFFFAOYSA-N 1 2 246.266 1.820 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934562161 631923695 /nfs/dbraw/zinc/92/36/95/631923695.db2.gz YHGPQXZBWYULIU-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934562161 631923702 /nfs/dbraw/zinc/92/37/02/631923702.db2.gz YHGPQXZBWYULIU-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934562157 631924307 /nfs/dbraw/zinc/92/43/07/631924307.db2.gz YHGPQXZBWYULIU-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934562157 631924311 /nfs/dbraw/zinc/92/43/11/631924311.db2.gz YHGPQXZBWYULIU-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO O[C@H]1CC[N@H+](CCc2ccccc2F)C[C@H]1F ZINC000934573226 631947049 /nfs/dbraw/zinc/94/70/49/631947049.db2.gz OKGDIWSPGKPMBF-OLZOCXBDSA-N 1 2 241.281 1.773 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2ccccc2F)C[C@H]1F ZINC000934573226 631947051 /nfs/dbraw/zinc/94/70/51/631947051.db2.gz OKGDIWSPGKPMBF-OLZOCXBDSA-N 1 2 241.281 1.773 20 0 BDADLO CC1(CC(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000309277341 631981743 /nfs/dbraw/zinc/98/17/43/631981743.db2.gz MKWAJWRORRICAU-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO CC(C)[C@H](F)C(=O)OCc1cc[nH+]c(N)c1 ZINC000309319394 631991547 /nfs/dbraw/zinc/99/15/47/631991547.db2.gz ZZJKMQJDNCUGNC-JTQLQIEISA-N 1 2 226.251 1.701 20 0 BDADLO CO[C@@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000309301883 631992760 /nfs/dbraw/zinc/99/27/60/631992760.db2.gz UGIVXJRDOCYXMG-QMMMGPOBSA-N 1 2 224.260 1.132 20 0 BDADLO CC(C)OCCC[NH2+][C@]1(C)CCOC1=O ZINC000308886398 632083622 /nfs/dbraw/zinc/08/36/22/632083622.db2.gz VZBKAWABOHEZRU-LLVKDONJSA-N 1 2 215.293 1.097 20 0 BDADLO C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOC1 ZINC000935090386 632443398 /nfs/dbraw/zinc/44/33/98/632443398.db2.gz HYPMBNXRBRKROX-ZDUSSCGKSA-N 1 2 245.282 1.472 20 0 BDADLO COC(=O)C1([N@@H+](C)CC(OC)OC)CCCC1 ZINC000161940480 632458403 /nfs/dbraw/zinc/45/84/03/632458403.db2.gz NGYCLKSEOBOWNI-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO COC(=O)C1([N@H+](C)CC(OC)OC)CCCC1 ZINC000161940480 632458410 /nfs/dbraw/zinc/45/84/10/632458410.db2.gz NGYCLKSEOBOWNI-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO Cc1nc(NCc2cn[nH]n2)c(C)c(C)[nH+]1 ZINC000309628207 632591315 /nfs/dbraw/zinc/59/13/15/632591315.db2.gz GGMCKIYUUUPNJE-UHFFFAOYSA-N 1 2 218.264 1.132 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccco1 ZINC000268943248 632611620 /nfs/dbraw/zinc/61/16/20/632611620.db2.gz WAGWAERMVHOHNG-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO C[C@H](C[C@H](C)O)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935332550 632621306 /nfs/dbraw/zinc/62/13/06/632621306.db2.gz CLSCZEDPXQDYMW-BDAKNGLRSA-N 1 2 247.298 1.452 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(F)cc1 ZINC000310173941 632706089 /nfs/dbraw/zinc/70/60/89/632706089.db2.gz UTYIXZWEMUXXIW-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1CCC1 ZINC000179514248 632739609 /nfs/dbraw/zinc/73/96/09/632739609.db2.gz XGFHAVRCSPVGEK-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO COCc1noc([C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000923778309 632804564 /nfs/dbraw/zinc/80/45/64/632804564.db2.gz YYFOUTOSKWEPNH-JTQLQIEISA-N 1 2 237.303 1.905 20 0 BDADLO COCc1noc([C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000923778309 632804567 /nfs/dbraw/zinc/80/45/67/632804567.db2.gz YYFOUTOSKWEPNH-JTQLQIEISA-N 1 2 237.303 1.905 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000878969557 635821734 /nfs/dbraw/zinc/82/17/34/635821734.db2.gz WLCLJXZOWKPNNK-VXGBXAGGSA-N 1 2 241.331 1.250 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000878969557 635821739 /nfs/dbraw/zinc/82/17/39/635821739.db2.gz WLCLJXZOWKPNNK-VXGBXAGGSA-N 1 2 241.331 1.250 20 0 BDADLO C[C@@H]1CN(C(=O)c2cccs2)CC[N@@H+]1C ZINC000074755159 632841518 /nfs/dbraw/zinc/84/15/18/632841518.db2.gz CMULWPKBGQUVPO-SECBINFHSA-N 1 2 224.329 1.524 20 0 BDADLO C[C@@H]1CN(C(=O)c2cccs2)CC[N@H+]1C ZINC000074755159 632841522 /nfs/dbraw/zinc/84/15/22/632841522.db2.gz CMULWPKBGQUVPO-SECBINFHSA-N 1 2 224.329 1.524 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000309274837 632878111 /nfs/dbraw/zinc/87/81/11/632878111.db2.gz DPHFFZKTKKSNJN-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000309274837 632878113 /nfs/dbraw/zinc/87/81/13/632878113.db2.gz DPHFFZKTKKSNJN-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]CC(C)(C)F ZINC000926781398 633056645 /nfs/dbraw/zinc/05/66/45/633056645.db2.gz VOJFHDXETUJYDB-LURJTMIESA-N 1 2 201.245 1.777 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]CC(C)(C)F ZINC000926781399 633057156 /nfs/dbraw/zinc/05/71/56/633057156.db2.gz VOJFHDXETUJYDB-ZCFIWIBFSA-N 1 2 201.245 1.777 20 0 BDADLO COC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000053173417 633068170 /nfs/dbraw/zinc/06/81/70/633068170.db2.gz BHURIQWYJKNKRO-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCc1cc(C2CC2)no1 ZINC000923882097 633075765 /nfs/dbraw/zinc/07/57/65/633075765.db2.gz DYYBPIWJPRADBG-UHFFFAOYSA-N 1 2 246.270 1.134 20 0 BDADLO COCC1([NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000309620763 633213335 /nfs/dbraw/zinc/21/33/35/633213335.db2.gz FDRSDHKVMIAHPW-JTQLQIEISA-N 1 2 221.304 1.556 20 0 BDADLO CNc1cc(N2CCC(C)(F)CC2)nc[nH+]1 ZINC000894982028 636012043 /nfs/dbraw/zinc/01/20/43/636012043.db2.gz BWHIKMGZXLKAKZ-UHFFFAOYSA-N 1 2 224.283 1.847 20 0 BDADLO CNc1cc(N2CCC(C)(F)CC2)[nH+]cn1 ZINC000894982028 636012045 /nfs/dbraw/zinc/01/20/45/636012045.db2.gz BWHIKMGZXLKAKZ-UHFFFAOYSA-N 1 2 224.283 1.847 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000307114127 635982989 /nfs/dbraw/zinc/98/29/89/635982989.db2.gz SKPSGHGGFJTMLF-BQBZGAKWSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000307114127 635982991 /nfs/dbraw/zinc/98/29/91/635982991.db2.gz SKPSGHGGFJTMLF-BQBZGAKWSA-N 1 2 232.736 1.752 20 0 BDADLO Cc1ncccc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895118079 636064891 /nfs/dbraw/zinc/06/48/91/636064891.db2.gz ZDLVCDKYYTYCKX-YUSALJHKSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ncccc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895118079 636064893 /nfs/dbraw/zinc/06/48/93/636064893.db2.gz ZDLVCDKYYTYCKX-YUSALJHKSA-N 1 2 247.342 1.487 20 0 BDADLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)CC1 ZINC001029318443 636069236 /nfs/dbraw/zinc/06/92/36/636069236.db2.gz ODJFDLFLUPOODY-PHIMTYICSA-N 1 2 240.322 1.431 20 0 BDADLO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)CC1 ZINC001029318443 636069237 /nfs/dbraw/zinc/06/92/37/636069237.db2.gz ODJFDLFLUPOODY-PHIMTYICSA-N 1 2 240.322 1.431 20 0 BDADLO CNc1cc(NC/C=C(/C)C(=O)OC)nc[nH+]1 ZINC000895514170 636153951 /nfs/dbraw/zinc/15/39/51/636153951.db2.gz STAWXXJWGCUOAJ-YWEYNIOJSA-N 1 2 236.275 1.050 20 0 BDADLO CNc1cc(NC/C=C(/C)C(=O)OC)[nH+]cn1 ZINC000895514170 636153970 /nfs/dbraw/zinc/15/39/70/636153970.db2.gz STAWXXJWGCUOAJ-YWEYNIOJSA-N 1 2 236.275 1.050 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705418 634053213 /nfs/dbraw/zinc/05/32/13/634053213.db2.gz QMWHILCYILOTQR-UFBFGSQYSA-N 1 2 241.718 1.397 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705418 634053214 /nfs/dbraw/zinc/05/32/14/634053214.db2.gz QMWHILCYILOTQR-UFBFGSQYSA-N 1 2 241.718 1.397 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(C2CC2)CC1 ZINC000854597903 634076237 /nfs/dbraw/zinc/07/62/37/634076237.db2.gz ABIDICDZRHBFJU-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO CC(C)COC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186936680 634089317 /nfs/dbraw/zinc/08/93/17/634089317.db2.gz SJZLTZBMCACXDP-UHFFFAOYSA-N 1 2 243.347 1.280 20 0 BDADLO Cc1cccc2c1[C@H]([NH2+]Cc1ncn(C)n1)CC2 ZINC000925671891 634256760 /nfs/dbraw/zinc/25/67/60/634256760.db2.gz FHQXGFOWYKYKPM-GFCCVEGCSA-N 1 2 242.326 1.901 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000193735867 634287714 /nfs/dbraw/zinc/28/77/14/634287714.db2.gz HITFJUCCECRWHM-GFCCVEGCSA-N 1 2 239.315 1.707 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000193735867 634287720 /nfs/dbraw/zinc/28/77/20/634287720.db2.gz HITFJUCCECRWHM-GFCCVEGCSA-N 1 2 239.315 1.707 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980655589 635248857 /nfs/dbraw/zinc/24/88/57/635248857.db2.gz CKRWVXDRUPCSCV-MNOVXSKESA-N 1 2 228.311 1.146 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980655589 635248860 /nfs/dbraw/zinc/24/88/60/635248860.db2.gz CKRWVXDRUPCSCV-MNOVXSKESA-N 1 2 228.311 1.146 20 0 BDADLO CCc1cc(N2C[C@H](O)C[C@H](C)C2)nc(CC)[nH+]1 ZINC000894128517 635696516 /nfs/dbraw/zinc/69/65/16/635696516.db2.gz VLBBQQIAIGWEKY-CMPLNLGQSA-N 1 2 249.358 1.809 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3C[C@H]2CS3)[nH+]cn1 ZINC000894171144 635738388 /nfs/dbraw/zinc/73/83/88/635738388.db2.gz KUYROWGRSXQNMJ-IUCAKERBSA-N 1 2 236.344 1.237 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3C[C@H]2CS3)nc[nH+]1 ZINC000894171144 635738381 /nfs/dbraw/zinc/73/83/81/635738381.db2.gz KUYROWGRSXQNMJ-IUCAKERBSA-N 1 2 236.344 1.237 20 0 BDADLO CNc1cc(N2C[C@@H]3C[C@H]2CS3)nc[nH+]1 ZINC000894173772 635740553 /nfs/dbraw/zinc/74/05/53/635740553.db2.gz XZOPNAMQLNBDKN-YUMQZZPRSA-N 1 2 222.317 1.212 20 0 BDADLO CNc1cc(N2C[C@@H]3C[C@H]2CS3)[nH+]cn1 ZINC000894173772 635740555 /nfs/dbraw/zinc/74/05/55/635740555.db2.gz XZOPNAMQLNBDKN-YUMQZZPRSA-N 1 2 222.317 1.212 20 0 BDADLO CCO[C@@H](CC)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927778841 635749527 /nfs/dbraw/zinc/74/95/27/635749527.db2.gz ONAQWEJYQANJLP-JTQLQIEISA-N 1 2 237.303 1.095 20 0 BDADLO Cc1ncccc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895118077 636065311 /nfs/dbraw/zinc/06/53/11/636065311.db2.gz ZDLVCDKYYTYCKX-ADEWGFFLSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ncccc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895118077 636065317 /nfs/dbraw/zinc/06/53/17/636065317.db2.gz ZDLVCDKYYTYCKX-ADEWGFFLSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ncccc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895118078 636065649 /nfs/dbraw/zinc/06/56/49/636065649.db2.gz ZDLVCDKYYTYCKX-MVWJERBFSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ncccc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895118078 636065651 /nfs/dbraw/zinc/06/56/51/636065651.db2.gz ZDLVCDKYYTYCKX-MVWJERBFSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cccnc2)[C@H]1C ZINC000895118068 636065863 /nfs/dbraw/zinc/06/58/63/636065863.db2.gz YUCRFQJGEBXPQD-DCAQKATOSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cccnc2)[C@H]1C ZINC000895118068 636065866 /nfs/dbraw/zinc/06/58/66/636065866.db2.gz YUCRFQJGEBXPQD-DCAQKATOSA-N 1 2 233.315 1.179 20 0 BDADLO Cn1nc(C2CC2)cc1CNc1cc[nH+]cc1F ZINC000896510820 636196266 /nfs/dbraw/zinc/19/62/66/636196266.db2.gz UAFRDQLMNIUUBG-UHFFFAOYSA-N 1 2 246.289 1.866 20 0 BDADLO CNC(=S)NC1=[NH+]N(c2ccccc2)CC1 ZINC000007622786 636347791 /nfs/dbraw/zinc/34/77/91/636347791.db2.gz GRSQOQBRONDNRC-UHFFFAOYSA-N 1 2 234.328 1.304 20 0 BDADLO Cc1ncccc1CCNc1cc(CO)cc[nH+]1 ZINC000897403406 636590878 /nfs/dbraw/zinc/59/08/78/636590878.db2.gz YOYHNVUXZIZUEM-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCc1ccccc1 ZINC000074673376 636652370 /nfs/dbraw/zinc/65/23/70/636652370.db2.gz QOEDAOXLXITJMF-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO CC(C)(C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000989538176 636861056 /nfs/dbraw/zinc/86/10/56/636861056.db2.gz IEWOTIQZGSCABP-UHFFFAOYSA-N 1 2 230.327 1.536 20 0 BDADLO CC(C)(C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000989538176 636861060 /nfs/dbraw/zinc/86/10/60/636861060.db2.gz IEWOTIQZGSCABP-UHFFFAOYSA-N 1 2 230.327 1.536 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(C3CCC3)no2)O1 ZINC000923824341 636872345 /nfs/dbraw/zinc/87/23/45/636872345.db2.gz NRBDINYFGJZZRM-WPRPVWTQSA-N 1 2 237.303 1.729 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(C3CCC3)no2)O1 ZINC000923824341 636872349 /nfs/dbraw/zinc/87/23/49/636872349.db2.gz NRBDINYFGJZZRM-WPRPVWTQSA-N 1 2 237.303 1.729 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)c(C)nn1 ZINC000929183425 636919450 /nfs/dbraw/zinc/91/94/50/636919450.db2.gz WFSKCFCOVJWCDG-MNOVXSKESA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c(C)nn1 ZINC000929183425 636919459 /nfs/dbraw/zinc/91/94/59/636919459.db2.gz WFSKCFCOVJWCDG-MNOVXSKESA-N 1 2 235.331 1.703 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2cnn(C)n2)ccn1 ZINC000924630099 636947626 /nfs/dbraw/zinc/94/76/26/636947626.db2.gz WVHHQQWNLVWMFP-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO Cc1cc(CCC(=O)OCCn2cc[nH+]c2)no1 ZINC000923886748 636953179 /nfs/dbraw/zinc/95/31/79/636953179.db2.gz DTQBWYBBFUWPGG-UHFFFAOYSA-N 1 2 249.270 1.356 20 0 BDADLO CC[C@@H](OC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)=O ZINC000923891568 637004686 /nfs/dbraw/zinc/00/46/86/637004686.db2.gz NKWVHLVLISSSNI-NWDGAFQWSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@@H](OC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)=O ZINC000923891568 637004695 /nfs/dbraw/zinc/00/46/95/637004695.db2.gz NKWVHLVLISSSNI-NWDGAFQWSA-N 1 2 241.331 1.770 20 0 BDADLO Cc1cc[nH]c1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907577 637064666 /nfs/dbraw/zinc/06/46/66/637064666.db2.gz VHWOPIOJHVOOFJ-UHFFFAOYSA-N 1 2 246.314 1.685 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901011310 637223130 /nfs/dbraw/zinc/22/31/30/637223130.db2.gz ZXSKSSJUCRKRQX-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C/[C@@H]2CCOC2)[nH+]c1C ZINC000900999541 637225580 /nfs/dbraw/zinc/22/55/80/637225580.db2.gz HFJYZGGNALNUBL-PGLGOXFNSA-N 1 2 249.314 1.235 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@@H]2CCOC2)[nH+]c1C ZINC000900999541 637225586 /nfs/dbraw/zinc/22/55/86/637225586.db2.gz HFJYZGGNALNUBL-PGLGOXFNSA-N 1 2 249.314 1.235 20 0 BDADLO CO[C@@H]1C[C@H]1c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904265651 637395777 /nfs/dbraw/zinc/39/57/77/637395777.db2.gz MYQAIHLWURMZMA-VXNVDRBHSA-N 1 2 246.270 1.525 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@H]2CCCO2)c(C)[nH+]1 ZINC000905025515 637573773 /nfs/dbraw/zinc/57/37/73/637573773.db2.gz GCTXPNDSRBGFJR-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO [NH3+]C1(c2noc(-c3cc(F)ccc3O)n2)CC1 ZINC000905323647 637751037 /nfs/dbraw/zinc/75/10/37/637751037.db2.gz FWDIPAOTAMMJTD-UHFFFAOYSA-N 1 2 235.218 1.529 20 0 BDADLO Cn1nccc1[C@@H]1CCC[N@@H+]1CN1CCCC1=O ZINC000905742854 637905163 /nfs/dbraw/zinc/90/51/63/637905163.db2.gz VEGGAKWSPWRWHX-LBPRGKRZSA-N 1 2 248.330 1.137 20 0 BDADLO Cn1nccc1[C@@H]1CCC[N@H+]1CN1CCCC1=O ZINC000905742854 637905172 /nfs/dbraw/zinc/90/51/72/637905172.db2.gz VEGGAKWSPWRWHX-LBPRGKRZSA-N 1 2 248.330 1.137 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C(=O)OC ZINC000905822927 637944459 /nfs/dbraw/zinc/94/44/59/637944459.db2.gz KVLVPYHKLSNRGJ-WDEREUQCSA-N 1 2 241.331 1.487 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1COC[C@H]1C ZINC000905869030 637955108 /nfs/dbraw/zinc/95/51/08/637955108.db2.gz YDOMQVMJFXILKV-GRYCIOLGSA-N 1 2 243.347 1.589 20 0 BDADLO CC(C)(C)OC1C[NH+](C[C@](C)(O)C(F)F)C1 ZINC000905970317 637985412 /nfs/dbraw/zinc/98/54/12/637985412.db2.gz JEQSCBBWECTGJB-NSHDSACASA-N 1 2 237.290 1.502 20 0 BDADLO Cc1nn(C)cc1-c1c[nH+]c2c(c1)CCCN2 ZINC000906169063 638083036 /nfs/dbraw/zinc/08/30/36/638083036.db2.gz RUURSMCJDLRTTG-UHFFFAOYSA-N 1 2 228.299 1.791 20 0 BDADLO COC(=O)c1cncc(-c2c[nH+]c(C)n2C)c1 ZINC000906212399 638108693 /nfs/dbraw/zinc/10/86/93/638108693.db2.gz SXEXHJPOJJVWQU-UHFFFAOYSA-N 1 2 231.255 1.577 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1cccnc1 ZINC000906286363 638127758 /nfs/dbraw/zinc/12/77/58/638127758.db2.gz BKWWWIUUUNDVPA-SNVBAGLBSA-N 1 2 243.314 1.859 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000906884711 638269524 /nfs/dbraw/zinc/26/95/24/638269524.db2.gz XWNUWFMEHMWCDT-PWSUYJOCSA-N 1 2 249.314 1.149 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)C[C@H](C)O)c(C)[nH+]1 ZINC000906885602 638269703 /nfs/dbraw/zinc/26/97/03/638269703.db2.gz ZOTUFTZHRZIMGY-JTQLQIEISA-N 1 2 236.315 1.460 20 0 BDADLO CCCNc1cc(NCc2ccon2)nc[nH+]1 ZINC000149356814 638350558 /nfs/dbraw/zinc/35/05/58/638350558.db2.gz NGXQNDKLNQBVRD-UHFFFAOYSA-N 1 2 233.275 1.899 20 0 BDADLO CCCNc1cc(NCc2ccon2)[nH+]cn1 ZINC000149356814 638350560 /nfs/dbraw/zinc/35/05/60/638350560.db2.gz NGXQNDKLNQBVRD-UHFFFAOYSA-N 1 2 233.275 1.899 20 0 BDADLO C[C@H]1OCC[C@@]1(C)NC(=O)CNc1cccc[nH+]1 ZINC000907328762 638356530 /nfs/dbraw/zinc/35/65/30/638356530.db2.gz WFCQGKHDVRBTIX-ZWNOBZJWSA-N 1 2 249.314 1.177 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000907360676 638362375 /nfs/dbraw/zinc/36/23/75/638362375.db2.gz DUVTUECLWUMYSU-MXWKQRLJSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907593683 638414548 /nfs/dbraw/zinc/41/45/48/638414548.db2.gz MGBUASUNPDCSDQ-IUCAKERBSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@]1(NC(=O)CNc2cccc[nH+]2)CCOC1 ZINC000907709050 638451274 /nfs/dbraw/zinc/45/12/74/638451274.db2.gz SJVIEJXPBWTMCQ-ZDUSSCGKSA-N 1 2 249.314 1.179 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2n[nH]cc2C)c[nH+]1 ZINC000907746097 638468558 /nfs/dbraw/zinc/46/85/58/638468558.db2.gz ZAZYNYMYMIUHRB-UHFFFAOYSA-N 1 2 247.302 1.597 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCF)C1 ZINC000907777686 638472232 /nfs/dbraw/zinc/47/22/32/638472232.db2.gz HCJMMLCEUHOIAV-JTQLQIEISA-N 1 2 239.294 1.486 20 0 BDADLO CC1=C(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907929115 638513631 /nfs/dbraw/zinc/51/36/31/638513631.db2.gz FCJTWVUPZUSIOM-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907998829 638536139 /nfs/dbraw/zinc/53/61/39/638536139.db2.gz YKGKISDUNIBXTF-AOOOYVTPSA-N 1 2 236.319 1.246 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCCOC2)c[nH+]1 ZINC000908114076 638570516 /nfs/dbraw/zinc/57/05/16/638570516.db2.gz DOJCJLSCLWKTQA-UHFFFAOYSA-N 1 2 237.303 1.133 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908191944 638598028 /nfs/dbraw/zinc/59/80/28/638598028.db2.gz NECHUFQRLAADHP-VIFPVBQESA-N 1 2 207.277 1.257 20 0 BDADLO CC(C)[C@@H]1N(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000908379904 638675021 /nfs/dbraw/zinc/67/50/21/638675021.db2.gz ITGQOOKAJICHGX-LBPRGKRZSA-N 1 2 235.331 1.845 20 0 BDADLO Cc1csc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000908933162 639095113 /nfs/dbraw/zinc/09/51/13/639095113.db2.gz NTTHEFHCBYCBHI-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000909047763 639130357 /nfs/dbraw/zinc/13/03/57/639130357.db2.gz UBUMCNQADKQHOB-TZMCWYRMSA-N 1 2 245.326 1.599 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000909201571 639170409 /nfs/dbraw/zinc/17/04/09/639170409.db2.gz LJBVJSSTCCEMMB-ONGXEEELSA-N 1 2 221.304 1.361 20 0 BDADLO C[C@H](CC(=O)N1CC=CC1)n1cc[nH+]c1 ZINC000910026511 639316123 /nfs/dbraw/zinc/31/61/23/639316123.db2.gz DJSXZZBJTTZNEA-SNVBAGLBSA-N 1 2 205.261 1.233 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nccn1C1CC1 ZINC000910575438 639477643 /nfs/dbraw/zinc/47/76/43/639477643.db2.gz NLWAIBRVHICTQO-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BDADLO CCc1ncc(C[N@H+](C)Cc2cnn(C)c2C)o1 ZINC000930268268 639674009 /nfs/dbraw/zinc/67/40/09/639674009.db2.gz OLJIWIYIIOQXFA-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1ncc(C[N@@H+](C)Cc2cnn(C)c2C)o1 ZINC000930268268 639674014 /nfs/dbraw/zinc/67/40/14/639674014.db2.gz OLJIWIYIIOQXFA-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2CO[C@H](C)C2)c(C)[nH+]1 ZINC000911599843 639674067 /nfs/dbraw/zinc/67/40/67/639674067.db2.gz NCLUJZFZIUMQDM-PWSUYJOCSA-N 1 2 248.326 1.914 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1noc2c1COCC2 ZINC000930274034 639675546 /nfs/dbraw/zinc/67/55/46/639675546.db2.gz UBFZCGWYRJZJMY-IUCAKERBSA-N 1 2 222.288 1.730 20 0 BDADLO CC1CC(C[N@H+](CCO)CC(F)F)C1 ZINC000930285611 639681869 /nfs/dbraw/zinc/68/18/69/639681869.db2.gz APUBHUDNHITKLP-UHFFFAOYSA-N 1 2 207.264 1.592 20 0 BDADLO CC1CC(C[N@@H+](CCO)CC(F)F)C1 ZINC000930285611 639681875 /nfs/dbraw/zinc/68/18/75/639681875.db2.gz APUBHUDNHITKLP-UHFFFAOYSA-N 1 2 207.264 1.592 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@@H](C)C(=O)OC ZINC000930303084 639689838 /nfs/dbraw/zinc/68/98/38/639689838.db2.gz GLPSGNJZCUSLOS-MBACFSSFSA-N 1 2 215.293 1.072 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000930303084 639689841 /nfs/dbraw/zinc/68/98/41/639689841.db2.gz GLPSGNJZCUSLOS-MBACFSSFSA-N 1 2 215.293 1.072 20 0 BDADLO CC1=C(C)C[N@H+](CC(=O)Nc2cccnn2)CC1 ZINC000930299304 639690903 /nfs/dbraw/zinc/69/09/03/639690903.db2.gz YAQDMKSOIVSOKM-UHFFFAOYSA-N 1 2 246.314 1.457 20 0 BDADLO CC1=C(C)C[N@@H+](CC(=O)Nc2cccnn2)CC1 ZINC000930299304 639690908 /nfs/dbraw/zinc/69/09/08/639690908.db2.gz YAQDMKSOIVSOKM-UHFFFAOYSA-N 1 2 246.314 1.457 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@@H](C)C(=O)OC ZINC000930303085 639691600 /nfs/dbraw/zinc/69/16/00/639691600.db2.gz GLPSGNJZCUSLOS-ZKXNXJMVSA-N 1 2 215.293 1.072 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000930303085 639691609 /nfs/dbraw/zinc/69/16/09/639691609.db2.gz GLPSGNJZCUSLOS-ZKXNXJMVSA-N 1 2 215.293 1.072 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nncs2)[C@H](C)C1 ZINC000930322320 639699829 /nfs/dbraw/zinc/69/98/29/639699829.db2.gz IVAOKVIDKJBYRZ-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nncs2)[C@H](C)C1 ZINC000930322320 639699835 /nfs/dbraw/zinc/69/98/35/639699835.db2.gz IVAOKVIDKJBYRZ-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nncs2)[C@H](C)C1 ZINC000930322323 639700905 /nfs/dbraw/zinc/70/09/05/639700905.db2.gz IVAOKVIDKJBYRZ-RKDXNWHRSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nncs2)[C@H](C)C1 ZINC000930322323 639700910 /nfs/dbraw/zinc/70/09/10/639700910.db2.gz IVAOKVIDKJBYRZ-RKDXNWHRSA-N 1 2 227.333 1.537 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCOC[C@]12CCOC2 ZINC000930327853 639708620 /nfs/dbraw/zinc/70/86/20/639708620.db2.gz LWIZPBPFRVMQOS-RYHWZFLVSA-N 1 2 241.331 1.070 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCOC[C@]12CCOC2 ZINC000930327853 639708624 /nfs/dbraw/zinc/70/86/24/639708624.db2.gz LWIZPBPFRVMQOS-RYHWZFLVSA-N 1 2 241.331 1.070 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)s1 ZINC000930363956 639720849 /nfs/dbraw/zinc/72/08/49/639720849.db2.gz CKDAZVZOYTZAGT-VHSXEESVSA-N 1 2 239.344 1.682 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)s1 ZINC000930363956 639720856 /nfs/dbraw/zinc/72/08/56/639720856.db2.gz CKDAZVZOYTZAGT-VHSXEESVSA-N 1 2 239.344 1.682 20 0 BDADLO COC/C(C)=C\C[N@@H+]1Cc2ccncc2C1 ZINC000930462623 639764021 /nfs/dbraw/zinc/76/40/21/639764021.db2.gz MBVNBYZUHHZGED-WCIBSUBMSA-N 1 2 218.300 1.990 20 0 BDADLO COC/C(C)=C\C[N@H+]1Cc2ccncc2C1 ZINC000930462623 639764024 /nfs/dbraw/zinc/76/40/24/639764024.db2.gz MBVNBYZUHHZGED-WCIBSUBMSA-N 1 2 218.300 1.990 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930462732 639766040 /nfs/dbraw/zinc/76/60/40/639766040.db2.gz OBZQBAJFOWLMLD-CYBMUJFWSA-N 1 2 246.310 1.345 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930462732 639766044 /nfs/dbraw/zinc/76/60/44/639766044.db2.gz OBZQBAJFOWLMLD-CYBMUJFWSA-N 1 2 246.310 1.345 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000930469639 639767201 /nfs/dbraw/zinc/76/72/01/639767201.db2.gz PLHGZYROTGMNNS-CGXZDELUSA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000930469639 639767205 /nfs/dbraw/zinc/76/72/05/639767205.db2.gz PLHGZYROTGMNNS-CGXZDELUSA-N 1 2 249.301 1.935 20 0 BDADLO C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498299 639785729 /nfs/dbraw/zinc/78/57/29/639785729.db2.gz GMSUEBVKEQEJSO-WCBMZHEXSA-N 1 2 236.319 1.488 20 0 BDADLO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498299 639785739 /nfs/dbraw/zinc/78/57/39/639785739.db2.gz GMSUEBVKEQEJSO-WCBMZHEXSA-N 1 2 236.319 1.488 20 0 BDADLO CCC[C@@]1(CO)CC[N@H+](Cc2nncs2)C1 ZINC000930504290 639788416 /nfs/dbraw/zinc/78/84/16/639788416.db2.gz IQHMAHCRPZCCFU-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO CCC[C@@]1(CO)CC[N@@H+](Cc2nncs2)C1 ZINC000930504290 639788423 /nfs/dbraw/zinc/78/84/23/639788423.db2.gz IQHMAHCRPZCCFU-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930562207 639810758 /nfs/dbraw/zinc/81/07/58/639810758.db2.gz MXJPCJHDOOOEAS-CDCCAWJDSA-N 1 2 241.331 1.605 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000930562207 639810759 /nfs/dbraw/zinc/81/07/59/639810759.db2.gz MXJPCJHDOOOEAS-CDCCAWJDSA-N 1 2 241.331 1.605 20 0 BDADLO C[N@H+](CCOC1CC1)[C@H]1CC(C)(C)OC1=O ZINC000930561547 639811707 /nfs/dbraw/zinc/81/17/07/639811707.db2.gz GWLVELQREITKCA-JTQLQIEISA-N 1 2 227.304 1.191 20 0 BDADLO C[N@@H+](CCOC1CC1)[C@H]1CC(C)(C)OC1=O ZINC000930561547 639811708 /nfs/dbraw/zinc/81/17/08/639811708.db2.gz GWLVELQREITKCA-JTQLQIEISA-N 1 2 227.304 1.191 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc3c2COCC3)[C@H]1C ZINC000930581916 639813886 /nfs/dbraw/zinc/81/38/86/639813886.db2.gz KANVJHFIVMKBLC-BDAKNGLRSA-N 1 2 222.288 1.588 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc3c2COCC3)[C@H]1C ZINC000930581916 639813887 /nfs/dbraw/zinc/81/38/87/639813887.db2.gz KANVJHFIVMKBLC-BDAKNGLRSA-N 1 2 222.288 1.588 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000930596891 639816356 /nfs/dbraw/zinc/81/63/56/639816356.db2.gz YSWHPXJSEJVDOL-FVOPLDGLSA-N 1 2 229.295 1.930 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@@](C)(F)C1 ZINC000930596891 639816357 /nfs/dbraw/zinc/81/63/57/639816357.db2.gz YSWHPXJSEJVDOL-FVOPLDGLSA-N 1 2 229.295 1.930 20 0 BDADLO COc1nnc(C[N@H+](C)[C@H](C)C(C)(C)O)s1 ZINC000930614049 639823731 /nfs/dbraw/zinc/82/37/31/639823731.db2.gz SLLWKZBQBLMLEV-SSDOTTSWSA-N 1 2 245.348 1.138 20 0 BDADLO COc1nnc(C[N@@H+](C)[C@H](C)C(C)(C)O)s1 ZINC000930614049 639823736 /nfs/dbraw/zinc/82/37/36/639823736.db2.gz SLLWKZBQBLMLEV-SSDOTTSWSA-N 1 2 245.348 1.138 20 0 BDADLO C[N@H+](Cc1cnn(CCF)c1)Cc1ccccn1 ZINC000930614885 639823877 /nfs/dbraw/zinc/82/38/77/639823877.db2.gz IGOJTUWFAZBKGA-UHFFFAOYSA-N 1 2 248.305 1.880 20 0 BDADLO C[N@@H+](Cc1cnn(CCF)c1)Cc1ccccn1 ZINC000930614885 639823879 /nfs/dbraw/zinc/82/38/79/639823879.db2.gz IGOJTUWFAZBKGA-UHFFFAOYSA-N 1 2 248.305 1.880 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930622813 639826256 /nfs/dbraw/zinc/82/62/56/639826256.db2.gz KZLOCNGQPAERFU-KWQFWETISA-N 1 2 243.257 1.240 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930622813 639826259 /nfs/dbraw/zinc/82/62/59/639826259.db2.gz KZLOCNGQPAERFU-KWQFWETISA-N 1 2 243.257 1.240 20 0 BDADLO CC1(C)C[C@@](C)([NH2+]CCCF)C(=O)O1 ZINC000930875811 639966291 /nfs/dbraw/zinc/96/62/91/639966291.db2.gz PMGDDRUYRYUXFA-SNVBAGLBSA-N 1 2 203.257 1.420 20 0 BDADLO CC1(C)C[C@](C)([NH2+]CCc2cccnc2)C(=O)O1 ZINC000930874900 639964504 /nfs/dbraw/zinc/96/45/04/639964504.db2.gz VFTNCRLBVSNFLR-AWEZNQCLSA-N 1 2 248.326 1.698 20 0 BDADLO C[C@@H]1CCCCN1NC(=O)CCc1c[nH]c[nH+]1 ZINC000912144148 639968692 /nfs/dbraw/zinc/96/86/92/639968692.db2.gz JNDLQYVYXXILGH-SNVBAGLBSA-N 1 2 236.319 1.248 20 0 BDADLO C[C@@H]1CCCCN1NC(=O)CCc1c[nH+]c[nH]1 ZINC000912144148 639968694 /nfs/dbraw/zinc/96/86/94/639968694.db2.gz JNDLQYVYXXILGH-SNVBAGLBSA-N 1 2 236.319 1.248 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000931035216 640027463 /nfs/dbraw/zinc/02/74/63/640027463.db2.gz HKJVLIMFEVFPNG-AWEZNQCLSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000931035216 640027468 /nfs/dbraw/zinc/02/74/68/640027468.db2.gz HKJVLIMFEVFPNG-AWEZNQCLSA-N 1 2 246.310 1.973 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)s1 ZINC000931060574 640048904 /nfs/dbraw/zinc/04/89/04/640048904.db2.gz WBQATPKTGHTNAS-DTWKUNHWSA-N 1 2 225.317 1.006 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H]3COC[C@H]3C2)s1 ZINC000931060574 640048908 /nfs/dbraw/zinc/04/89/08/640048908.db2.gz WBQATPKTGHTNAS-DTWKUNHWSA-N 1 2 225.317 1.006 20 0 BDADLO Fc1cncc(F)c1C[N@@H+]1CCC2(COC2)C1 ZINC000931062977 640049633 /nfs/dbraw/zinc/04/96/33/640049633.db2.gz SXLPMRNSENQKON-UHFFFAOYSA-N 1 2 240.253 1.582 20 0 BDADLO Fc1cncc(F)c1C[N@H+]1CCC2(COC2)C1 ZINC000931062977 640049640 /nfs/dbraw/zinc/04/96/40/640049640.db2.gz SXLPMRNSENQKON-UHFFFAOYSA-N 1 2 240.253 1.582 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141013 640074991 /nfs/dbraw/zinc/07/49/91/640074991.db2.gz DUVBQYIKZWYLDO-AXFHLTTASA-N 1 2 236.319 1.367 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141013 640074997 /nfs/dbraw/zinc/07/49/97/640074997.db2.gz DUVBQYIKZWYLDO-AXFHLTTASA-N 1 2 236.319 1.367 20 0 BDADLO Cc1cc(C)cc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000912450760 640081019 /nfs/dbraw/zinc/08/10/19/640081019.db2.gz ANASRUKVRBGTNU-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CC1(C)CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000912723342 640179274 /nfs/dbraw/zinc/17/92/74/640179274.db2.gz CHONHKGKBVGSOP-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO CN(CC1=CCSC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000912727399 640181144 /nfs/dbraw/zinc/18/11/44/640181144.db2.gz CBIINZJWYHVBHX-UHFFFAOYSA-N 1 2 237.328 1.084 20 0 BDADLO CCc1nnc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)[nH]1 ZINC000931460130 640215359 /nfs/dbraw/zinc/21/53/59/640215359.db2.gz DQKXJFKHDCAORZ-QMMMGPOBSA-N 1 2 246.318 1.210 20 0 BDADLO CCc1nnc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)[nH]1 ZINC000931460130 640215363 /nfs/dbraw/zinc/21/53/63/640215363.db2.gz DQKXJFKHDCAORZ-QMMMGPOBSA-N 1 2 246.318 1.210 20 0 BDADLO O=C(Nc1ccns1)[C@H]1CCn2c[nH+]cc2C1 ZINC000913058891 640297405 /nfs/dbraw/zinc/29/74/05/640297405.db2.gz NKWQKDCGISUGTQ-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO FC[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000931683389 640311796 /nfs/dbraw/zinc/31/17/96/640311796.db2.gz UZDGWAZHRKOBCY-QMMMGPOBSA-N 1 2 215.297 1.720 20 0 BDADLO FC[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000931683389 640311799 /nfs/dbraw/zinc/31/17/99/640311799.db2.gz UZDGWAZHRKOBCY-QMMMGPOBSA-N 1 2 215.297 1.720 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CCCC12CC2 ZINC000913426595 640367632 /nfs/dbraw/zinc/36/76/32/640367632.db2.gz WKIBTRKBVOYKTA-NSHDSACASA-N 1 2 245.326 1.942 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](CO)C2)c(C)[nH+]1 ZINC000913433041 640370643 /nfs/dbraw/zinc/37/06/43/640370643.db2.gz ZVBNSWHPVYOMHH-TXEJJXNPSA-N 1 2 248.326 1.508 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931936544 640397088 /nfs/dbraw/zinc/39/70/88/640397088.db2.gz PFESKEZMCVDEKU-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931936544 640397097 /nfs/dbraw/zinc/39/70/97/640397097.db2.gz PFESKEZMCVDEKU-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc(NC[C@H](O)c2ccccc2)cc[nH+]1 ZINC000054935814 640423135 /nfs/dbraw/zinc/42/31/35/640423135.db2.gz XOFAWMNPJDCXBR-LBPRGKRZSA-N 1 2 229.283 1.931 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncccn2)CCO1 ZINC000932336869 640478577 /nfs/dbraw/zinc/47/85/77/640478577.db2.gz TVHFDDXYQRMTNE-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncccn2)CCO1 ZINC000932336869 640478580 /nfs/dbraw/zinc/47/85/80/640478580.db2.gz TVHFDDXYQRMTNE-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932337697 640481298 /nfs/dbraw/zinc/48/12/98/640481298.db2.gz ZSBVPCGWBFEUAT-RKDXNWHRSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932337697 640481300 /nfs/dbraw/zinc/48/13/00/640481300.db2.gz ZSBVPCGWBFEUAT-RKDXNWHRSA-N 1 2 224.308 1.285 20 0 BDADLO CONC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045013675 640486295 /nfs/dbraw/zinc/48/62/95/640486295.db2.gz GKOGWUMHILVBKN-UHFFFAOYSA-N 1 2 231.255 1.223 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2)CCO1 ZINC000932351137 640494454 /nfs/dbraw/zinc/49/44/54/640494454.db2.gz SAPQGDHGXVZYJQ-GFCCVEGCSA-N 1 2 248.326 1.736 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2)CCO1 ZINC000932351137 640494459 /nfs/dbraw/zinc/49/44/59/640494459.db2.gz SAPQGDHGXVZYJQ-GFCCVEGCSA-N 1 2 248.326 1.736 20 0 BDADLO CCc1nc(C[NH2+][C@H](C)C(C)(C)OC)no1 ZINC000932368931 640500699 /nfs/dbraw/zinc/50/06/99/640500699.db2.gz IHQVAIYGHTTZEY-MRVPVSSYSA-N 1 2 227.308 1.535 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932369634 640500720 /nfs/dbraw/zinc/50/07/20/640500720.db2.gz VFUNWVUHXNBNFG-LBPRGKRZSA-N 1 2 248.330 1.042 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](C)C(C)(C)OC)no1 ZINC000932370792 640502230 /nfs/dbraw/zinc/50/22/30/640502230.db2.gz VCDKHZFSJQMBGN-VIFPVBQESA-N 1 2 241.335 1.925 20 0 BDADLO CC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000156970309 640521569 /nfs/dbraw/zinc/52/15/69/640521569.db2.gz DYYDOYRNIQWRJM-JTQLQIEISA-N 1 2 215.293 1.237 20 0 BDADLO CC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000156970309 640521576 /nfs/dbraw/zinc/52/15/76/640521576.db2.gz DYYDOYRNIQWRJM-JTQLQIEISA-N 1 2 215.293 1.237 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001030036256 640525866 /nfs/dbraw/zinc/52/58/66/640525866.db2.gz RQGJMPKDMKWCGF-UHFFFAOYSA-N 1 2 247.342 1.073 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001030036214 640526152 /nfs/dbraw/zinc/52/61/52/640526152.db2.gz MKVSKQCHUXRNRV-UHFFFAOYSA-N 1 2 244.338 1.496 20 0 BDADLO Cc1cnc(C(=O)NCCc2[nH]cc[nH+]2)cc1C ZINC000932475624 640541975 /nfs/dbraw/zinc/54/19/75/640541975.db2.gz QJEHYFLJCUNICS-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO O=C(C[C@H]1CC=CCC1)NCCc1[nH]cc[nH+]1 ZINC000932475942 640542155 /nfs/dbraw/zinc/54/21/55/640542155.db2.gz SUVDXMHWHDVYOP-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO CCCCc1nc(C[NH2+][C@H]2COC[C@@H]2C)no1 ZINC000932501129 640560463 /nfs/dbraw/zinc/56/04/63/640560463.db2.gz NWDYVIUVMLJLTJ-UWVGGRQHSA-N 1 2 239.319 1.537 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600820 640582735 /nfs/dbraw/zinc/58/27/35/640582735.db2.gz FYLHMAYFFMWQDC-SNVBAGLBSA-N 1 2 235.331 1.611 20 0 BDADLO COC[C@@H](C)[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600820 640582741 /nfs/dbraw/zinc/58/27/41/640582741.db2.gz FYLHMAYFFMWQDC-SNVBAGLBSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603210 640583305 /nfs/dbraw/zinc/58/33/05/640583305.db2.gz SWEVWBKYOXTKBY-JTQLQIEISA-N 1 2 235.331 1.347 20 0 BDADLO C[C@H](O)CC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603210 640583311 /nfs/dbraw/zinc/58/33/11/640583311.db2.gz SWEVWBKYOXTKBY-JTQLQIEISA-N 1 2 235.331 1.347 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000932648795 640598515 /nfs/dbraw/zinc/59/85/15/640598515.db2.gz GKFNNWSNPZGYOZ-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000932648795 640598518 /nfs/dbraw/zinc/59/85/18/640598518.db2.gz GKFNNWSNPZGYOZ-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000932648794 640599983 /nfs/dbraw/zinc/59/99/83/640599983.db2.gz GKFNNWSNPZGYOZ-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000932648794 640599991 /nfs/dbraw/zinc/59/99/91/640599991.db2.gz GKFNNWSNPZGYOZ-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO CCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000224280757 640605503 /nfs/dbraw/zinc/60/55/03/640605503.db2.gz LZEDPUIBDNZDBY-UHFFFAOYSA-N 1 2 207.277 1.470 20 0 BDADLO CCSCC[N@@H+]1CCCC(=O)[C@@H]1C ZINC000932852327 640625034 /nfs/dbraw/zinc/62/50/34/640625034.db2.gz USNPDJBMGCLJMQ-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CCSCC[N@H+]1CCCC(=O)[C@@H]1C ZINC000932852327 640625037 /nfs/dbraw/zinc/62/50/37/640625037.db2.gz USNPDJBMGCLJMQ-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CCO[C@H](C[N@@H+]1CC(=O)CC[C@H]1C)C1CC1 ZINC000932876095 640635478 /nfs/dbraw/zinc/63/54/78/640635478.db2.gz HPEQHTLHAGDLDD-ZWNOBZJWSA-N 1 2 225.332 1.855 20 0 BDADLO CCO[C@H](C[N@H+]1CC(=O)CC[C@H]1C)C1CC1 ZINC000932876095 640635481 /nfs/dbraw/zinc/63/54/81/640635481.db2.gz HPEQHTLHAGDLDD-ZWNOBZJWSA-N 1 2 225.332 1.855 20 0 BDADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccon1 ZINC000933285277 640697086 /nfs/dbraw/zinc/69/70/86/640697086.db2.gz HEDLTWYHXNVMRY-JTQLQIEISA-N 1 2 237.303 1.069 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2[nH]ccc2C)C1 ZINC001030266797 640719073 /nfs/dbraw/zinc/71/90/73/640719073.db2.gz RZIJOIPZDGZSSE-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO CC1(O)CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000167411986 640720818 /nfs/dbraw/zinc/72/08/18/640720818.db2.gz BUSDREHXYADAJQ-UHFFFAOYSA-N 1 2 241.722 1.477 20 0 BDADLO FCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933691629 640745535 /nfs/dbraw/zinc/74/55/35/640745535.db2.gz JRVOYRARNMHJNU-QWRGUYRKSA-N 1 2 217.284 1.226 20 0 BDADLO FCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933691629 640745541 /nfs/dbraw/zinc/74/55/41/640745541.db2.gz JRVOYRARNMHJNU-QWRGUYRKSA-N 1 2 217.284 1.226 20 0 BDADLO O=C1OCC[C@H]1[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933877737 640778878 /nfs/dbraw/zinc/77/88/78/640778878.db2.gz GYMAEGMLRNBTKL-GHMZBOCLSA-N 1 2 239.315 1.383 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccnc2C2CC2)C1 ZINC001030611008 640959580 /nfs/dbraw/zinc/95/95/80/640959580.db2.gz KELOVNNNCZAINQ-UHFFFAOYSA-N 1 2 245.326 1.393 20 0 BDADLO CCOCC[N@H+](CC)Cn1cccnc1=S ZINC000171630625 640997402 /nfs/dbraw/zinc/99/74/02/640997402.db2.gz APGFVNJAVBPFSE-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO CCOCC[N@@H+](CC)Cn1cccnc1=S ZINC000171630625 640997406 /nfs/dbraw/zinc/99/74/06/640997406.db2.gz APGFVNJAVBPFSE-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO CCCNc1cc(NCCOC)nc[nH+]1 ZINC000087806857 641051446 /nfs/dbraw/zinc/05/14/46/641051446.db2.gz FEFYLCMSKONWQJ-UHFFFAOYSA-N 1 2 210.281 1.357 20 0 BDADLO CCCNc1cc(NCCOC)[nH+]cn1 ZINC000087806857 641051449 /nfs/dbraw/zinc/05/14/49/641051449.db2.gz FEFYLCMSKONWQJ-UHFFFAOYSA-N 1 2 210.281 1.357 20 0 BDADLO CCCNc1cc(N(C)CCOC)nc[nH+]1 ZINC000087821647 641056434 /nfs/dbraw/zinc/05/64/34/641056434.db2.gz MFDWFUSNXIJPBW-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO CCCNc1cc(N(C)CCOC)[nH+]cn1 ZINC000087821647 641056435 /nfs/dbraw/zinc/05/64/35/641056435.db2.gz MFDWFUSNXIJPBW-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO CCCCOCCNc1cc(NC)nc[nH+]1 ZINC000087825457 641059767 /nfs/dbraw/zinc/05/97/67/641059767.db2.gz WIRPRKAFJMNAFK-UHFFFAOYSA-N 1 2 224.308 1.747 20 0 BDADLO CNc1cc(N2C[C@@H](C)S[C@@H](C)C2)nc[nH+]1 ZINC000087830971 641064164 /nfs/dbraw/zinc/06/41/64/641064164.db2.gz HJESEIDNQULQIL-DTORHVGOSA-N 1 2 238.360 1.849 20 0 BDADLO CNc1cc(N2C[C@@H](C)S[C@@H](C)C2)[nH+]cn1 ZINC000087830971 641064166 /nfs/dbraw/zinc/06/41/66/641064166.db2.gz HJESEIDNQULQIL-DTORHVGOSA-N 1 2 238.360 1.849 20 0 BDADLO C[N@H+](C[C@@H]1CCCO1)Cn1cccnc1=S ZINC000172479286 641067821 /nfs/dbraw/zinc/06/78/21/641067821.db2.gz YTPXFPBRHFACLB-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO C[N@@H+](C[C@@H]1CCCO1)Cn1cccnc1=S ZINC000172479286 641067827 /nfs/dbraw/zinc/06/78/27/641067827.db2.gz YTPXFPBRHFACLB-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934110316 641074491 /nfs/dbraw/zinc/07/44/91/641074491.db2.gz YLMSXNUXSKEIEL-RYUDHWBXSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934110316 641074497 /nfs/dbraw/zinc/07/44/97/641074497.db2.gz YLMSXNUXSKEIEL-RYUDHWBXSA-N 1 2 238.335 1.216 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934132903 641088664 /nfs/dbraw/zinc/08/86/64/641088664.db2.gz TVEUPBQVJIBTTR-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934132903 641088667 /nfs/dbraw/zinc/08/86/67/641088667.db2.gz TVEUPBQVJIBTTR-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1[nH]c(CNC(=O)c2coc(C=O)c2)[nH+]c1C ZINC000934423367 641142868 /nfs/dbraw/zinc/14/28/68/641142868.db2.gz LULQNCTVHCAOIF-UHFFFAOYSA-N 1 2 247.254 1.362 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934485366 641170173 /nfs/dbraw/zinc/17/01/73/641170173.db2.gz ZGHACXUJMJLSTP-ZDUSSCGKSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934485366 641170182 /nfs/dbraw/zinc/17/01/82/641170182.db2.gz ZGHACXUJMJLSTP-ZDUSSCGKSA-N 1 2 240.347 1.012 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000932972041 641171001 /nfs/dbraw/zinc/17/10/01/641171001.db2.gz AKDIOMXQTGCIEG-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000932972041 641171005 /nfs/dbraw/zinc/17/10/05/641171005.db2.gz AKDIOMXQTGCIEG-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)n1 ZINC000934563587 641197495 /nfs/dbraw/zinc/19/74/95/641197495.db2.gz FERJJVTUCUSMSV-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)n1 ZINC000934563587 641197500 /nfs/dbraw/zinc/19/75/00/641197500.db2.gz FERJJVTUCUSMSV-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000934571744 641204963 /nfs/dbraw/zinc/20/49/63/641204963.db2.gz YEZAHJWJHGECKY-OLZOCXBDSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000934571744 641204972 /nfs/dbraw/zinc/20/49/72/641204972.db2.gz YEZAHJWJHGECKY-OLZOCXBDSA-N 1 2 239.290 1.600 20 0 BDADLO CNC(=S)NCc1ccccc1-n1cc[nH+]c1 ZINC000063790364 641232541 /nfs/dbraw/zinc/23/25/41/641232541.db2.gz WSKMOPQGCWLUDH-UHFFFAOYSA-N 1 2 246.339 1.466 20 0 BDADLO CC[C@@](C)(O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000934799652 641274848 /nfs/dbraw/zinc/27/48/48/641274848.db2.gz ZDHMVGCUDWUNQD-CYBMUJFWSA-N 1 2 247.298 1.112 20 0 BDADLO CC(C)(CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935100898 641337905 /nfs/dbraw/zinc/33/79/05/641337905.db2.gz RYKOCSURZLXZMZ-UHFFFAOYSA-N 1 2 233.271 1.064 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001030847151 641380073 /nfs/dbraw/zinc/38/00/73/641380073.db2.gz CLWCHHVYVAHXEM-ZDUSSCGKSA-N 1 2 248.301 1.286 20 0 BDADLO COCC1CC[NH+](Cc2nncs2)CC1 ZINC000929630137 641380079 /nfs/dbraw/zinc/38/00/79/641380079.db2.gz YQPCEZJBOXDRHL-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO CC[C@H]1COCC[N@@H+]1C/C(C)=C\C(=O)OC ZINC000929658935 641388258 /nfs/dbraw/zinc/38/82/58/641388258.db2.gz FBPNYZKYNSETEH-BRNRAETOSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1COCC[N@H+]1C/C(C)=C\C(=O)OC ZINC000929658935 641388262 /nfs/dbraw/zinc/38/82/62/641388262.db2.gz FBPNYZKYNSETEH-BRNRAETOSA-N 1 2 227.304 1.217 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2occc2Cl)C1 ZINC001030907553 641413791 /nfs/dbraw/zinc/41/37/91/641413791.db2.gz NSMDOZRNFHWYBW-UHFFFAOYSA-N 1 2 242.706 1.755 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030918614 641421781 /nfs/dbraw/zinc/42/17/81/641421781.db2.gz CXHHABKGVIPUGA-ZWNOBZJWSA-N 1 2 222.332 1.387 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ocnc2CC)C1 ZINC001030928597 641427070 /nfs/dbraw/zinc/42/70/70/641427070.db2.gz DUUOWJBIACFUDF-UHFFFAOYSA-N 1 2 237.303 1.061 20 0 BDADLO CC[C@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000935759632 641476031 /nfs/dbraw/zinc/47/60/31/641476031.db2.gz NLDRIVFUYDHXFI-LBPRGKRZSA-N 1 2 233.271 1.434 20 0 BDADLO CO[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493193543 641585348 /nfs/dbraw/zinc/58/53/48/641585348.db2.gz SSKBQXGVJAQLNE-YIZUVKHSSA-N 1 2 249.314 1.306 20 0 BDADLO CC[N@H+](CCC(C)=O)[C@H](C)CS(=O)(=O)CC ZINC000155972295 641587085 /nfs/dbraw/zinc/58/70/85/641587085.db2.gz KGTFVCJSGGRBSY-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO CC[N@@H+](CCC(C)=O)[C@H](C)CS(=O)(=O)CC ZINC000155972295 641587092 /nfs/dbraw/zinc/58/70/92/641587092.db2.gz KGTFVCJSGGRBSY-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001031020942 641597592 /nfs/dbraw/zinc/59/75/92/641597592.db2.gz PCBKVTIPQXXMIK-LBPRGKRZSA-N 1 2 236.290 1.518 20 0 BDADLO CNc1cc(NCc2c(C)noc2C)nc[nH+]1 ZINC000156821694 641609698 /nfs/dbraw/zinc/60/96/98/641609698.db2.gz NUSJLCVHLDTHQZ-UHFFFAOYSA-N 1 2 233.275 1.735 20 0 BDADLO CNc1cc(NCc2c(C)noc2C)[nH+]cn1 ZINC000156821694 641609702 /nfs/dbraw/zinc/60/97/02/641609702.db2.gz NUSJLCVHLDTHQZ-UHFFFAOYSA-N 1 2 233.275 1.735 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccsc2Cl)C1 ZINC001031053385 641667530 /nfs/dbraw/zinc/66/75/30/641667530.db2.gz IGSJQPXUBXDGFN-UHFFFAOYSA-N 1 2 244.747 1.835 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000159329754 641677612 /nfs/dbraw/zinc/67/76/12/641677612.db2.gz AOSAEOSHGWYRTP-SNVBAGLBSA-N 1 2 233.271 1.691 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031168781 641764769 /nfs/dbraw/zinc/76/47/69/641764769.db2.gz STMVNGJZIKUNNO-VXGBXAGGSA-N 1 2 242.338 1.439 20 0 BDADLO CC(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000032199195 641769900 /nfs/dbraw/zinc/76/99/00/641769900.db2.gz ICSHLWOBHVHPQT-UHFFFAOYSA-N 1 2 202.213 1.798 20 0 BDADLO COC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000914848377 641773375 /nfs/dbraw/zinc/77/33/75/641773375.db2.gz PVVZGNKGPQZENE-UHFFFAOYSA-N 1 2 223.276 1.118 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@]2(C)CC)C1 ZINC001031175763 641775235 /nfs/dbraw/zinc/77/52/35/641775235.db2.gz PZBHPQGUDMFKGZ-ZYHUDNBSSA-N 1 2 210.321 1.243 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(C)CC)C1 ZINC001031175761 641775313 /nfs/dbraw/zinc/77/53/13/641775313.db2.gz PZBHPQGUDMFKGZ-JQWIXIFHSA-N 1 2 210.321 1.243 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)CC ZINC000190182092 641848376 /nfs/dbraw/zinc/84/83/76/641848376.db2.gz UFRBOGNKBZPNIJ-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)CC ZINC000190182092 641848380 /nfs/dbraw/zinc/84/83/80/641848380.db2.gz UFRBOGNKBZPNIJ-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCc1cc(C)c(C(=O)NC2C[NH+](CC)C2)o1 ZINC001031263676 641869995 /nfs/dbraw/zinc/86/99/95/641869995.db2.gz VFXIHQJGUWXHCU-UHFFFAOYSA-N 1 2 236.315 1.584 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)c2cccnc2)C1 ZINC001031274541 641870766 /nfs/dbraw/zinc/87/07/66/641870766.db2.gz MKATVTWYDQPQKK-SNVBAGLBSA-N 1 2 233.315 1.005 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)cc2OC)C1 ZINC001031283719 641871960 /nfs/dbraw/zinc/87/19/60/641871960.db2.gz HLEWJWSDKBRTBR-UHFFFAOYSA-N 1 2 248.326 1.438 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccccc1C ZINC000732822324 641872776 /nfs/dbraw/zinc/87/27/76/641872776.db2.gz LLIKRPICOOADNH-AWEZNQCLSA-N 1 2 245.326 1.850 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CCC=CCC2)C1 ZINC001031402492 642077797 /nfs/dbraw/zinc/07/77/97/642077797.db2.gz JCFMMEIGJOSIJC-UHFFFAOYSA-N 1 2 222.332 1.553 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2ccc[nH]2)C1 ZINC001031413885 642111301 /nfs/dbraw/zinc/11/13/01/642111301.db2.gz CFCRACHABXIGOO-UHFFFAOYSA-N 1 2 247.342 1.324 20 0 BDADLO CC[NH+]1CC(NC(=O)c2coc3ccccc23)C1 ZINC001031480405 642200545 /nfs/dbraw/zinc/20/05/45/642200545.db2.gz MHSCNDKVGJBPTM-UHFFFAOYSA-N 1 2 244.294 1.867 20 0 BDADLO Cc1nc(Cl)n(Cc2[nH+]ccn2C)n1 ZINC000919725563 642379409 /nfs/dbraw/zinc/37/94/09/642379409.db2.gz AJJVVZVDTFLCLM-UHFFFAOYSA-N 1 2 211.656 1.022 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933202972 642389077 /nfs/dbraw/zinc/38/90/77/642389077.db2.gz MQLOUFODFLODKO-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933202972 642389082 /nfs/dbraw/zinc/38/90/82/642389082.db2.gz MQLOUFODFLODKO-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933209404 642390393 /nfs/dbraw/zinc/39/03/93/642390393.db2.gz FTOWXTYIAKCRMT-LBPRGKRZSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933209404 642390402 /nfs/dbraw/zinc/39/04/02/642390402.db2.gz FTOWXTYIAKCRMT-LBPRGKRZSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000930104180 642402586 /nfs/dbraw/zinc/40/25/86/642402586.db2.gz ABODURXHFZQWEI-LBPRGKRZSA-N 1 2 233.315 1.019 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000930104180 642402592 /nfs/dbraw/zinc/40/25/92/642402592.db2.gz ABODURXHFZQWEI-LBPRGKRZSA-N 1 2 233.315 1.019 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ncccn1)C2 ZINC000933255710 642425965 /nfs/dbraw/zinc/42/59/65/642425965.db2.gz QAWGCHGWXCLNJU-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCC/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000920461052 642499493 /nfs/dbraw/zinc/49/94/93/642499493.db2.gz LDHBXEKTAKYPNB-SNAWJCMRSA-N 1 2 207.277 1.356 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000073261613 642521346 /nfs/dbraw/zinc/52/13/46/642521346.db2.gz XKHFXSUTMORZQW-WGAJWPLOSA-N 1 2 202.685 1.079 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC000073261613 642521353 /nfs/dbraw/zinc/52/13/53/642521353.db2.gz XKHFXSUTMORZQW-WGAJWPLOSA-N 1 2 202.685 1.079 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](OC)C1 ZINC000233059530 642648144 /nfs/dbraw/zinc/64/81/44/642648144.db2.gz GYRQNWAYMXUACK-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000233059530 642648141 /nfs/dbraw/zinc/64/81/41/642648141.db2.gz GYRQNWAYMXUACK-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000233063455 642648933 /nfs/dbraw/zinc/64/89/33/642648933.db2.gz YFRHDZOMSVUWRY-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)[nH+]cn2)CCCO1 ZINC000305989418 642717583 /nfs/dbraw/zinc/71/75/83/642717583.db2.gz UAAIHINQCJCYMK-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)nc[nH+]2)CCCO1 ZINC000305989418 642717589 /nfs/dbraw/zinc/71/75/89/642717589.db2.gz UAAIHINQCJCYMK-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO C[C@H]1CC[N@H+](CCF)C[C@@H]1NC(=O)C(F)F ZINC000964597432 642758640 /nfs/dbraw/zinc/75/86/40/642758640.db2.gz KLWXBIMVZFTSLI-YUMQZZPRSA-N 1 2 238.253 1.048 20 0 BDADLO C[C@H]1CC[N@@H+](CCF)C[C@@H]1NC(=O)C(F)F ZINC000964597432 642758647 /nfs/dbraw/zinc/75/86/47/642758647.db2.gz KLWXBIMVZFTSLI-YUMQZZPRSA-N 1 2 238.253 1.048 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+]CCOCC1CC1)CCC2 ZINC000353404345 642827621 /nfs/dbraw/zinc/82/76/21/642827621.db2.gz ONBYLOCOWKJFGT-GFCCVEGCSA-N 1 2 235.331 1.803 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001015342417 642897560 /nfs/dbraw/zinc/89/75/60/642897560.db2.gz OVDJMULKCMRQEM-NQBHXWOUSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001015342417 642897565 /nfs/dbraw/zinc/89/75/65/642897565.db2.gz OVDJMULKCMRQEM-NQBHXWOUSA-N 1 2 240.322 1.337 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182289978 642989557 /nfs/dbraw/zinc/98/95/57/642989557.db2.gz CQUQYLUNOHBAHL-VXGBXAGGSA-N 1 2 243.347 1.877 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)CCc1c[nH]c[nH+]1 ZINC000287847659 643255833 /nfs/dbraw/zinc/25/58/33/643255833.db2.gz DDKNBMAUZLRYLS-SECBINFHSA-N 1 2 225.292 1.531 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)CCc1c[nH+]c[nH]1 ZINC000287847659 643255841 /nfs/dbraw/zinc/25/58/41/643255841.db2.gz DDKNBMAUZLRYLS-SECBINFHSA-N 1 2 225.292 1.531 20 0 BDADLO CC(=O)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000082644973 643361772 /nfs/dbraw/zinc/36/17/72/643361772.db2.gz FTXAIWDIUDWEFD-UHFFFAOYSA-N 1 2 219.288 1.590 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)cn1 ZINC000307486539 643487577 /nfs/dbraw/zinc/48/75/77/643487577.db2.gz BYWUKPAQPLLRQT-CBAPKCEASA-N 1 2 227.695 1.085 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)cn1 ZINC000307486539 643487588 /nfs/dbraw/zinc/48/75/88/643487588.db2.gz BYWUKPAQPLLRQT-CBAPKCEASA-N 1 2 227.695 1.085 20 0 BDADLO Nc1ccc(COC(=O)C2CCC2)c[nH+]1 ZINC000922300881 643962075 /nfs/dbraw/zinc/96/20/75/643962075.db2.gz VLLDDHDSBIKHMR-UHFFFAOYSA-N 1 2 206.245 1.507 20 0 BDADLO CCO[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922347287 643977865 /nfs/dbraw/zinc/97/78/65/643977865.db2.gz VYFGDWBEAUDPJI-QMMMGPOBSA-N 1 2 224.260 1.132 20 0 BDADLO CCO[C@@H](CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922381149 643984023 /nfs/dbraw/zinc/98/40/23/643984023.db2.gz GBUAJWPEZJQSQX-JTQLQIEISA-N 1 2 238.287 1.522 20 0 BDADLO COC(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922427308 643991952 /nfs/dbraw/zinc/99/19/52/643991952.db2.gz FKUIOSKVVQRWOQ-UHFFFAOYSA-N 1 2 224.260 1.132 20 0 BDADLO CCc1ccc(NC(=O)Cn2cc[nH+]c2)nc1 ZINC000922474006 643999336 /nfs/dbraw/zinc/99/93/36/643999336.db2.gz VDVCAQBIWBHIKG-UHFFFAOYSA-N 1 2 230.271 1.479 20 0 BDADLO C[C@]1(C(=O)OCc2ccc(N)[nH+]c2)CCCO1 ZINC000922520145 644010389 /nfs/dbraw/zinc/01/03/89/644010389.db2.gz HOSWHXVIPYNEMK-GFCCVEGCSA-N 1 2 236.271 1.276 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2C[C@@]23CCOC3)c[nH+]1 ZINC000922613763 644041963 /nfs/dbraw/zinc/04/19/63/644041963.db2.gz KJDLYRWXIQVWQC-ZWNOBZJWSA-N 1 2 248.282 1.134 20 0 BDADLO CC(C)/C=C\C(=O)OCc1ccc[nH+]c1N ZINC000922656209 644059649 /nfs/dbraw/zinc/05/96/49/644059649.db2.gz JSPHAAXPEVFFDE-WAYWQWQTSA-N 1 2 220.272 1.919 20 0 BDADLO Cc1[nH]c(CNc2nnc(C3CC3)n2C)[nH+]c1C ZINC000922662500 644060474 /nfs/dbraw/zinc/06/04/74/644060474.db2.gz MOIXJNVGJRCMOP-UHFFFAOYSA-N 1 2 246.318 1.645 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C\[C@@H]1CCCO1 ZINC000922816357 644106831 /nfs/dbraw/zinc/10/68/31/644106831.db2.gz OMOXQXHNWPZWQH-GZTOBOFZSA-N 1 2 248.282 1.442 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@]1(C)CCCCO1 ZINC000922817261 644107046 /nfs/dbraw/zinc/10/70/46/644107046.db2.gz OKRIULLVPQIBGE-LBPRGKRZSA-N 1 2 223.320 1.767 20 0 BDADLO Cc1nnc(CC[N@@H+](C)Cc2cscn2)o1 ZINC000929344685 644194224 /nfs/dbraw/zinc/19/42/24/644194224.db2.gz VMYBZPLTGVLWDL-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nnc(CC[N@H+](C)Cc2cscn2)o1 ZINC000929344685 644194228 /nfs/dbraw/zinc/19/42/28/644194228.db2.gz VMYBZPLTGVLWDL-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1cc(C[NH2+]Cc2cncc(O)c2)nn1C ZINC000922976286 644206682 /nfs/dbraw/zinc/20/66/82/644206682.db2.gz UFXFHQLSRVQPEC-UHFFFAOYSA-N 1 2 232.287 1.119 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cnccn1 ZINC000922982957 644210251 /nfs/dbraw/zinc/21/02/51/644210251.db2.gz HSNVQPADTMBBJG-UHFFFAOYSA-N 1 2 232.287 1.625 20 0 BDADLO Cc1coc(C[NH2+]Cc2cncc(O)c2)c1 ZINC000922976552 644211162 /nfs/dbraw/zinc/21/11/62/644211162.db2.gz ZTHITPZPYIWFMZ-UHFFFAOYSA-N 1 2 218.256 1.978 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1ccn(C)n1 ZINC000922988495 644216589 /nfs/dbraw/zinc/21/65/89/644216589.db2.gz PEKVUCUHGSLWAH-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2C)no1 ZINC000082339403 644372633 /nfs/dbraw/zinc/37/26/33/644372633.db2.gz FIJPJQIRXDLZFA-SECBINFHSA-N 1 2 223.276 1.406 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)no1 ZINC000082339403 644372637 /nfs/dbraw/zinc/37/26/37/644372637.db2.gz FIJPJQIRXDLZFA-SECBINFHSA-N 1 2 223.276 1.406 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000087376974 644492551 /nfs/dbraw/zinc/49/25/51/644492551.db2.gz NHXJGMVHSSSXIK-SNVBAGLBSA-N 1 2 224.329 1.944 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000087376974 644492553 /nfs/dbraw/zinc/49/25/53/644492553.db2.gz NHXJGMVHSSSXIK-SNVBAGLBSA-N 1 2 224.329 1.944 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C[C@H](O)C1(C)C ZINC000163444318 644521008 /nfs/dbraw/zinc/52/10/08/644521008.db2.gz CJTVQEQGTWEOOK-ZJUUUORDSA-N 1 2 222.288 1.662 20 0 BDADLO CCOC(=O)[C@@H](C)NCc1c[nH+]cn1C(C)C ZINC000090208780 644584317 /nfs/dbraw/zinc/58/43/17/644584317.db2.gz BCBJXDHKRSZYDW-SNVBAGLBSA-N 1 2 239.319 1.505 20 0 BDADLO CC[C@@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017278647 644607556 /nfs/dbraw/zinc/60/75/56/644607556.db2.gz BNLKBJYLUDBKMB-UTUOFQBUSA-N 1 2 228.311 1.430 20 0 BDADLO CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017278647 644607560 /nfs/dbraw/zinc/60/75/60/644607560.db2.gz BNLKBJYLUDBKMB-UTUOFQBUSA-N 1 2 228.311 1.430 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000764966617 644659887 /nfs/dbraw/zinc/65/98/87/644659887.db2.gz ZPKACBJUBYCQES-SNVBAGLBSA-N 1 2 246.314 1.034 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000764966617 644659890 /nfs/dbraw/zinc/65/98/90/644659890.db2.gz ZPKACBJUBYCQES-SNVBAGLBSA-N 1 2 246.314 1.034 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCC1CCC1 ZINC000092916367 644672853 /nfs/dbraw/zinc/67/28/53/644672853.db2.gz KOTRJWRJELJIRJ-UHFFFAOYSA-N 1 2 219.288 1.713 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)CCOCC ZINC000093313523 644686417 /nfs/dbraw/zinc/68/64/17/644686417.db2.gz ZJCWZKQHXQIFGF-NSHDSACASA-N 1 2 231.336 1.687 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)CCOCC ZINC000093313523 644686418 /nfs/dbraw/zinc/68/64/18/644686418.db2.gz ZJCWZKQHXQIFGF-NSHDSACASA-N 1 2 231.336 1.687 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000248635388 644691715 /nfs/dbraw/zinc/69/17/15/644691715.db2.gz XUMAMJLTNDLTEL-SDDRHHMPSA-N 1 2 243.347 1.875 20 0 BDADLO Nc1cc(COC(=O)/C=C\c2ccc[nH]2)cc[nH+]1 ZINC000792161007 644792682 /nfs/dbraw/zinc/79/26/82/644792682.db2.gz QGKAZGGZVXWWIO-ARJAWSKDSA-N 1 2 243.266 1.749 20 0 BDADLO CCC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000793239114 644801510 /nfs/dbraw/zinc/80/15/10/644801510.db2.gz TWYUGDRMIGJLAX-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)C(F)F ZINC000793241656 644801646 /nfs/dbraw/zinc/80/16/46/644801646.db2.gz LUUYOBUSWBCYEB-UHFFFAOYSA-N 1 2 246.257 1.797 20 0 BDADLO C[C@@H](C(=O)OCCc1c[nH+]cn1C)c1ccco1 ZINC000793243321 644802002 /nfs/dbraw/zinc/80/20/02/644802002.db2.gz UGNUOFATRYSXND-SNVBAGLBSA-N 1 2 248.282 1.903 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CCc1ccoc1 ZINC000793240804 644802068 /nfs/dbraw/zinc/80/20/68/644802068.db2.gz GUXHFKHKDJUUQW-UHFFFAOYSA-N 1 2 248.282 1.732 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000809564988 644890610 /nfs/dbraw/zinc/89/06/10/644890610.db2.gz PLZZZGNKELJUPU-CYBMUJFWSA-N 1 2 236.315 1.183 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000809564988 644890614 /nfs/dbraw/zinc/89/06/14/644890614.db2.gz PLZZZGNKELJUPU-CYBMUJFWSA-N 1 2 236.315 1.183 20 0 BDADLO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCOCC1 ZINC000304533686 644914677 /nfs/dbraw/zinc/91/46/77/644914677.db2.gz OHNQNOMBQTYEMJ-ZDUSSCGKSA-N 1 2 239.290 1.500 20 0 BDADLO Cn1ncc(C[N@H+](C)C2CC(O)C2)c1Cl ZINC000816569720 644963606 /nfs/dbraw/zinc/96/36/06/644963606.db2.gz UOMRMWOHQWRQQW-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO Cn1ncc(C[N@@H+](C)C2CC(O)C2)c1Cl ZINC000816569720 644963609 /nfs/dbraw/zinc/96/36/09/644963609.db2.gz UOMRMWOHQWRQQW-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO CCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)COC1 ZINC000817459183 644983153 /nfs/dbraw/zinc/98/31/53/644983153.db2.gz ROYDVVKJCOLWAN-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO Cc1cnccc1C(=O)OCCc1c[nH+]cn1C ZINC000837683096 645203961 /nfs/dbraw/zinc/20/39/61/645203961.db2.gz VULFLMQQFWQDQT-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@@H](C)C2(Cl)CC2)n1 ZINC000926691470 645359764 /nfs/dbraw/zinc/35/97/64/645359764.db2.gz ASTJFMRFITVQLT-ZETCQYMHSA-N 1 2 244.726 1.201 20 0 BDADLO C/C=C/COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845446581 645361289 /nfs/dbraw/zinc/36/12/89/645361289.db2.gz CYBTTWKSAYPICV-NSCUHMNNSA-N 1 2 234.299 1.881 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cnn(C)n1 ZINC000926785808 645432560 /nfs/dbraw/zinc/43/25/60/645432560.db2.gz NYNNJHHPHSJDPQ-KXUCPTDWSA-N 1 2 226.299 1.746 20 0 BDADLO Fc1ccc([C@@H]2CC[N@@H+]2CC2OCCO2)cc1 ZINC000852469565 645485075 /nfs/dbraw/zinc/48/50/75/645485075.db2.gz WGORJXVQZJYZJE-LBPRGKRZSA-N 1 2 237.274 1.945 20 0 BDADLO Fc1ccc([C@@H]2CC[N@H+]2CC2OCCO2)cc1 ZINC000852469565 645485078 /nfs/dbraw/zinc/48/50/78/645485078.db2.gz WGORJXVQZJYZJE-LBPRGKRZSA-N 1 2 237.274 1.945 20 0 BDADLO COC1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854911227 645515808 /nfs/dbraw/zinc/51/58/08/645515808.db2.gz RBZUOBBNMSXFCR-UHFFFAOYSA-N 1 2 237.303 1.026 20 0 BDADLO COc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1F ZINC000857488793 645577559 /nfs/dbraw/zinc/57/75/59/645577559.db2.gz PEXFFOVWGCPWAV-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000857517118 645585356 /nfs/dbraw/zinc/58/53/56/645585356.db2.gz NJJZFKXBMGLOBK-GFCCVEGCSA-N 1 2 239.294 1.693 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000927778185 645654113 /nfs/dbraw/zinc/65/41/13/645654113.db2.gz UBYRBLKOZIMRSW-WDEREUQCSA-N 1 2 249.314 1.095 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000927778579 645655186 /nfs/dbraw/zinc/65/51/86/645655186.db2.gz XGWFYTUAVJUZBF-JTQLQIEISA-N 1 2 233.315 1.716 20 0 BDADLO Nc1ccc(CNC(=O)C23CC(C2)C3)c[nH+]1 ZINC000927778733 645656694 /nfs/dbraw/zinc/65/66/94/645656694.db2.gz ZDYYADAVQCVRNL-UHFFFAOYSA-N 1 2 217.272 1.080 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2nncs2)C1 ZINC000930271297 645710659 /nfs/dbraw/zinc/71/06/59/645710659.db2.gz VUVBTRIHESEWJD-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2nncs2)C1 ZINC000930271297 645710667 /nfs/dbraw/zinc/71/06/67/645710667.db2.gz VUVBTRIHESEWJD-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2nncs2)C1 ZINC000930271300 645710798 /nfs/dbraw/zinc/71/07/98/645710798.db2.gz VUVBTRIHESEWJD-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2nncs2)C1 ZINC000930271300 645710810 /nfs/dbraw/zinc/71/08/10/645710810.db2.gz VUVBTRIHESEWJD-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ncco1 ZINC000925495798 645933533 /nfs/dbraw/zinc/93/35/33/645933533.db2.gz WPJAQCQEYMFDMZ-BDAKNGLRSA-N 1 2 235.287 1.089 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929126981 645957807 /nfs/dbraw/zinc/95/78/07/645957807.db2.gz XWSJRBWNHULKEC-YFKTTZPYSA-N 1 2 243.347 1.683 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929126981 645957812 /nfs/dbraw/zinc/95/78/12/645957812.db2.gz XWSJRBWNHULKEC-YFKTTZPYSA-N 1 2 243.347 1.683 20 0 BDADLO C[C@H](c1nc([C@H]2CCO[C@H](C)C2)no1)[NH+](C)C ZINC000923944287 645965058 /nfs/dbraw/zinc/96/50/58/645965058.db2.gz VCLVTXAHLMRILI-BBBLOLIVSA-N 1 2 239.319 1.975 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(C(C)(C)C)no2)O1 ZINC000923969577 645966970 /nfs/dbraw/zinc/96/69/70/645966970.db2.gz HXGHUYDJTZFPFY-IUCAKERBSA-N 1 2 239.319 1.759 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(C(C)(C)C)no2)O1 ZINC000923969577 645966973 /nfs/dbraw/zinc/96/69/73/645966973.db2.gz HXGHUYDJTZFPFY-IUCAKERBSA-N 1 2 239.319 1.759 20 0 BDADLO C[C@H](c1nc(C[C@@H]2CCCO2)no1)[NH+](C)C ZINC000923962758 645968369 /nfs/dbraw/zinc/96/83/69/645968369.db2.gz DYDLUQQSIXFUPY-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@](C)(c1noc([C@@H](C)[NH+](C)C)n1)C1CC1 ZINC000924073453 645975610 /nfs/dbraw/zinc/97/56/10/645975610.db2.gz DFMXLWZCYPTJNW-PELKAZGASA-N 1 2 239.319 1.964 20 0 BDADLO c1[nH]cc([C@H]2C[C@@H]2c2nc(-c3cn[nH]c3)no2)[nH+]1 ZINC000924095896 645978917 /nfs/dbraw/zinc/97/89/17/645978917.db2.gz SGTZNYOLXFKURT-YUMQZZPRSA-N 1 2 242.242 1.454 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc([C@@H]3CC34CC4)no2)O1 ZINC000924102676 645980766 /nfs/dbraw/zinc/98/07/66/645980766.db2.gz BRDNHVOKFFQOEC-UTLUCORTSA-N 1 2 249.314 1.729 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc([C@@H]3CC34CC4)no2)O1 ZINC000924102676 645980777 /nfs/dbraw/zinc/98/07/77/645980777.db2.gz BRDNHVOKFFQOEC-UTLUCORTSA-N 1 2 249.314 1.729 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cnn(C)n1 ZINC000924526845 646048720 /nfs/dbraw/zinc/04/87/20/646048720.db2.gz ZATLMOGCFDFGLG-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO c1cc([C@H]2CCC[N@@H+](Cc3nncs3)C2)n[nH]1 ZINC000929295013 646067932 /nfs/dbraw/zinc/06/79/32/646067932.db2.gz APTLFBKFCJLZEE-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO c1cc([C@H]2CCC[N@H+](Cc3nncs3)C2)n[nH]1 ZINC000929295013 646067935 /nfs/dbraw/zinc/06/79/35/646067935.db2.gz APTLFBKFCJLZEE-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cccnc1 ZINC000924566377 646070395 /nfs/dbraw/zinc/07/03/95/646070395.db2.gz XGOWHDLMDSQGCL-ZJUUUORDSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@@H]([NH2+]CCO)C(F)(F)c1ccccc1 ZINC000924568786 646071628 /nfs/dbraw/zinc/07/16/28/646071628.db2.gz DJMKLMSAWSETOP-SECBINFHSA-N 1 2 215.243 1.749 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000924607160 646076367 /nfs/dbraw/zinc/07/63/67/646076367.db2.gz ISMGZKNPDMKJSC-PSASIEDQSA-N 1 2 221.304 1.565 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1c(F)cncc1F ZINC000929359471 646093907 /nfs/dbraw/zinc/09/39/07/646093907.db2.gz VARNPQJTKUQYRN-MRVPVSSYSA-N 1 2 228.242 1.317 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1c(F)cncc1F ZINC000929359471 646093919 /nfs/dbraw/zinc/09/39/19/646093919.db2.gz VARNPQJTKUQYRN-MRVPVSSYSA-N 1 2 228.242 1.317 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCCc1cccnc1 ZINC000929498816 646153057 /nfs/dbraw/zinc/15/30/57/646153057.db2.gz CJIHBFDCGLUUHK-UHFFFAOYSA-N 1 2 236.315 1.555 20 0 BDADLO CCCC[N@H+](CCO)Cc1nncs1 ZINC000929514221 646162537 /nfs/dbraw/zinc/16/25/37/646162537.db2.gz QPKWIWVNCNGGHL-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2cn(C)cn2)[nH]n1 ZINC000925061395 646171690 /nfs/dbraw/zinc/17/16/90/646171690.db2.gz JKAAXGMZCRBLOP-SECBINFHSA-N 1 2 233.319 1.556 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)[nH]n1 ZINC000925102774 646184303 /nfs/dbraw/zinc/18/43/03/646184303.db2.gz LBEUAMZZPSWOBZ-JTQLQIEISA-N 1 2 248.334 1.741 20 0 BDADLO OCCC1CC[NH+](Cc2nncs2)CC1 ZINC000929593281 646188356 /nfs/dbraw/zinc/18/83/56/646188356.db2.gz MXJPMBAHUZJEET-UHFFFAOYSA-N 1 2 227.333 1.133 20 0 BDADLO O=S1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929614842 646197450 /nfs/dbraw/zinc/19/74/50/646197450.db2.gz ARFNQMAWKCNTRP-ILWJIGKKSA-N 1 2 249.326 1.342 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2nnc(OC)s2)C1 ZINC000929692418 646248091 /nfs/dbraw/zinc/24/80/91/646248091.db2.gz DCTHZRJOVBEHEB-MRVPVSSYSA-N 1 2 243.332 1.015 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2nnc(OC)s2)C1 ZINC000929692418 646248097 /nfs/dbraw/zinc/24/80/97/646248097.db2.gz DCTHZRJOVBEHEB-MRVPVSSYSA-N 1 2 243.332 1.015 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1CCC=CCC1 ZINC000925387083 646256877 /nfs/dbraw/zinc/25/68/77/646256877.db2.gz KSGLXGRNQLEZHG-UHFFFAOYSA-N 1 2 219.288 1.498 20 0 BDADLO c1nnc(CN2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000930021209 646397556 /nfs/dbraw/zinc/39/75/56/646397556.db2.gz SJYZMIDHGYGWQV-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cncc1F ZINC000930126324 646449739 /nfs/dbraw/zinc/44/97/39/646449739.db2.gz ROKUVKCKULNYOG-YUMQZZPRSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1c(F)cncc1F ZINC000930126324 646449741 /nfs/dbraw/zinc/44/97/41/646449741.db2.gz ROKUVKCKULNYOG-YUMQZZPRSA-N 1 2 228.242 1.315 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@@H](C3CC3)C2)s1 ZINC000930138722 646453436 /nfs/dbraw/zinc/45/34/36/646453436.db2.gz ARWRJNUOQNAZGD-SECBINFHSA-N 1 2 239.344 1.779 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@@H](C3CC3)C2)s1 ZINC000930138722 646453442 /nfs/dbraw/zinc/45/34/42/646453442.db2.gz ARWRJNUOQNAZGD-SECBINFHSA-N 1 2 239.344 1.779 20 0 BDADLO COC/C(C)=C\C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000930152901 646461623 /nfs/dbraw/zinc/46/16/23/646461623.db2.gz SHBHBXBKWSDORL-PGJNLMOESA-N 1 2 241.331 1.510 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000926285266 646611304 /nfs/dbraw/zinc/61/13/04/646611304.db2.gz OIRUGZXNMRZPNN-YFKPBYRVSA-N 1 2 217.219 1.826 20 0 BDADLO OCC[C@H]([NH2+]Cc1nnsc1Cl)C1CC1 ZINC000308899112 711574144 /nfs/dbraw/zinc/57/41/44/711574144.db2.gz CRYGTPALPFQCBT-ZETCQYMHSA-N 1 2 247.751 1.442 20 0 BDADLO [NH3+][C@@H](CC(=O)NCC1CCCCC1)C(F)F ZINC000724750789 711610733 /nfs/dbraw/zinc/61/07/33/711610733.db2.gz FZMKXOJZXNRJIY-VIFPVBQESA-N 1 2 234.290 1.665 20 0 BDADLO [NH3+][C@@H](CC(=O)NCCC(F)(F)F)C(F)F ZINC000724750839 711610454 /nfs/dbraw/zinc/61/04/54/711610454.db2.gz GKKWESWDBFJDSJ-BYPYZUCNSA-N 1 2 234.168 1.038 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000724890611 711625514 /nfs/dbraw/zinc/62/55/14/711625514.db2.gz HNDUIEITGWBRPF-GHMZBOCLSA-N 1 2 240.303 1.185 20 0 BDADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000309092264 711661714 /nfs/dbraw/zinc/66/17/14/711661714.db2.gz BNWQOLDIQPPLEH-SSDOTTSWSA-N 1 2 206.249 1.557 20 0 BDADLO Cc1coc(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000718568086 711660830 /nfs/dbraw/zinc/66/08/30/711660830.db2.gz OAWUJWUOVWYRGF-UHFFFAOYSA-N 1 2 222.288 1.410 20 0 BDADLO CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)C(=O)OC ZINC000719269529 711669824 /nfs/dbraw/zinc/66/98/24/711669824.db2.gz QKXYKMORVLOTCL-MWLCHTKSSA-N 1 2 247.360 1.050 20 0 BDADLO CCN(C(C)=O)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033715562 712015565 /nfs/dbraw/zinc/01/55/65/712015565.db2.gz KRWBSAWFHIHUPA-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO CCN(C(C)=O)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033715562 712015566 /nfs/dbraw/zinc/01/55/66/712015566.db2.gz KRWBSAWFHIHUPA-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO Cc1conc1C[NH2+][C@@H](C)c1ccnn1C ZINC000708234223 712184198 /nfs/dbraw/zinc/18/41/98/712184198.db2.gz IYLGQJPDDMFPEK-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO CCOC(=O)[C@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000709048365 712206428 /nfs/dbraw/zinc/20/64/28/712206428.db2.gz JLPISGQKEWGDMD-VIFPVBQESA-N 1 2 225.292 1.068 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709060866 712207199 /nfs/dbraw/zinc/20/71/99/712207199.db2.gz JJUMHDZQJWWNJO-VXNVDRBHSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709060866 712207200 /nfs/dbraw/zinc/20/72/00/712207200.db2.gz JJUMHDZQJWWNJO-VXNVDRBHSA-N 1 2 239.237 1.822 20 0 BDADLO C=C/C=C\CCNC(=O)CCn1cc[nH+]c1 ZINC000713473140 712461761 /nfs/dbraw/zinc/46/17/61/712461761.db2.gz YILPHGGVUHBZBJ-ARJAWSKDSA-N 1 2 219.288 1.522 20 0 BDADLO CCCn1cc([C@@H](C)NC[C@@H]2CC[N@@H+]2C)nn1 ZINC000715936676 712544190 /nfs/dbraw/zinc/54/41/90/712544190.db2.gz SBWQDPIKEGDIHF-MNOVXSKESA-N 1 2 237.351 1.043 20 0 BDADLO CCCn1cc([C@@H](C)NC[C@@H]2CC[N@H+]2C)nn1 ZINC000715936676 712544191 /nfs/dbraw/zinc/54/41/91/712544191.db2.gz SBWQDPIKEGDIHF-MNOVXSKESA-N 1 2 237.351 1.043 20 0 BDADLO CCCNc1cc(NC/C=C/CO)[nH+]cn1 ZINC000717498106 712659985 /nfs/dbraw/zinc/65/99/85/712659985.db2.gz LCDWQBOFZSRVJA-ONEGZZNKSA-N 1 2 222.292 1.259 20 0 BDADLO CCCCSCC(=O)NCc1[nH]c[nH+]c1C ZINC000380160285 712702671 /nfs/dbraw/zinc/70/26/71/712702671.db2.gz ACYCJDROZZITSK-UHFFFAOYSA-N 1 2 241.360 1.868 20 0 BDADLO COCC(C)(C)CCNc1nc(N)nc(C)[nH+]1 ZINC000718935352 712789068 /nfs/dbraw/zinc/78/90/68/712789068.db2.gz PYUIDMOCUWHANW-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)C(=O)OC ZINC000719269532 712802675 /nfs/dbraw/zinc/80/26/75/712802675.db2.gz QKXYKMORVLOTCL-ONGXEEELSA-N 1 2 247.360 1.050 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)n2)cs1 ZINC000381321493 710621673 /nfs/dbraw/zinc/62/16/73/710621673.db2.gz WKZYJWUCZFJHRA-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CON(C)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000381354546 710626675 /nfs/dbraw/zinc/62/66/75/710626675.db2.gz CSLMOKWEDNEGHT-MRVPVSSYSA-N 1 2 243.332 1.122 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ccon1)c1cccs1 ZINC000381514224 710650064 /nfs/dbraw/zinc/65/00/64/710650064.db2.gz ZIOZMBXDACYPCF-SNVBAGLBSA-N 1 2 238.312 1.949 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(C#N)s1 ZINC000381514639 710650248 /nfs/dbraw/zinc/65/02/48/710650248.db2.gz ZJZNBWNABCMMIS-UHFFFAOYSA-N 1 2 234.284 1.601 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC[C@H]1CC ZINC000380400495 712900571 /nfs/dbraw/zinc/90/05/71/712900571.db2.gz PABXZXXLMARALL-ISALQUGTSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC[C@H]1CC ZINC000380400495 712900572 /nfs/dbraw/zinc/90/05/72/712900572.db2.gz PABXZXXLMARALL-ISALQUGTSA-N 1 2 227.304 1.217 20 0 BDADLO CCN1CCC[C@H]([NH2+]Cc2nccs2)C1=O ZINC000722359961 710710348 /nfs/dbraw/zinc/71/03/48/710710348.db2.gz NNXBAXQWQFXUTP-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO CCN1CCC[C@@H]([NH2+]Cc2nccs2)C1=O ZINC000722359960 710711151 /nfs/dbraw/zinc/71/11/51/710711151.db2.gz NNXBAXQWQFXUTP-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO Cc1ccccc1CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724758200 710746796 /nfs/dbraw/zinc/74/67/96/710746796.db2.gz ADDURUNXAILYGT-JTQLQIEISA-N 1 2 242.269 1.594 20 0 BDADLO CC(C)C(=O)N(C)C1C[NH+](Cc2ccccc2)C1 ZINC001042488395 710787868 /nfs/dbraw/zinc/78/78/68/710787868.db2.gz TVSXBHKEXBAPMT-UHFFFAOYSA-N 1 2 246.354 1.985 20 0 BDADLO CC(=O)N(C)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001042384971 710778478 /nfs/dbraw/zinc/77/84/78/710778478.db2.gz NZJXVXIGDDQZOH-RMKNXTFCSA-N 1 2 244.338 1.862 20 0 BDADLO COc1cccc(C[NH+]2CC(N(C)C(C)=O)C2)c1 ZINC001042391206 710778496 /nfs/dbraw/zinc/77/84/96/710778496.db2.gz ITWXGJPNQOKWJQ-UHFFFAOYSA-N 1 2 248.326 1.358 20 0 BDADLO CN(C(=O)C1CC1)C1C[NH+](Cc2ccccc2)C1 ZINC001042395836 710779971 /nfs/dbraw/zinc/77/99/71/710779971.db2.gz RBQWKDODOHSDPF-UHFFFAOYSA-N 1 2 244.338 1.739 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccoc2C)C1 ZINC001042460469 710784419 /nfs/dbraw/zinc/78/44/19/710784419.db2.gz SMDHXKZGOIXAGN-UHFFFAOYSA-N 1 2 222.288 1.364 20 0 BDADLO CCc1ocnc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001042559385 710791476 /nfs/dbraw/zinc/79/14/76/710791476.db2.gz UXNDRFOVNNWCNO-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cscc2C)C1 ZINC001042591580 710792704 /nfs/dbraw/zinc/79/27/04/710792704.db2.gz UAWILHVPWPSZNF-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO CC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)C[C@H]1C ZINC001068271182 711010254 /nfs/dbraw/zinc/01/02/54/711010254.db2.gz LBGXLQDRHYVOOV-BXKDBHETSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1nc(N2CCC3(CCCC3)CC2)nc(N)[nH+]1 ZINC000380654705 712902353 /nfs/dbraw/zinc/90/23/53/712902353.db2.gz BUNUUTDJRNFOQS-UHFFFAOYSA-N 1 2 247.346 1.753 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000386059988 711022455 /nfs/dbraw/zinc/02/24/55/711022455.db2.gz JAWZTWMUJLNGDI-UHFFFAOYSA-N 1 2 243.310 1.602 20 0 BDADLO Cc1cccc(C(=O)OCCn2cc[nH+]c2)c1N ZINC000386214615 711024988 /nfs/dbraw/zinc/02/49/88/711024988.db2.gz IGTLGJWJYFKWNK-UHFFFAOYSA-N 1 2 245.282 1.631 20 0 BDADLO Nc1ccc(F)cc1C(=O)OCCn1cc[nH+]c1 ZINC000386248501 711027103 /nfs/dbraw/zinc/02/71/03/711027103.db2.gz QTHGLXLHDUMSGF-UHFFFAOYSA-N 1 2 249.245 1.461 20 0 BDADLO CCCNc1cc(N[C@H](CC)[C@H](C)O)nc[nH+]1 ZINC000386838598 711037066 /nfs/dbraw/zinc/03/70/66/711037066.db2.gz XEJOVFSCWSOFGF-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@H](CC)[C@H](C)O)[nH+]cn1 ZINC000386838598 711037070 /nfs/dbraw/zinc/03/70/70/711037070.db2.gz XEJOVFSCWSOFGF-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO CC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001069441578 711042763 /nfs/dbraw/zinc/04/27/63/711042763.db2.gz BEWAUQCWWGGWBK-VXGBXAGGSA-N 1 2 248.330 1.502 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000390194598 711109015 /nfs/dbraw/zinc/10/90/15/711109015.db2.gz OSNPENSPPNSTMG-JTQLQIEISA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC)C(C)(C)C ZINC000390612561 711127892 /nfs/dbraw/zinc/12/78/92/711127892.db2.gz FOLODYQVNIWJDE-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO CCCN1CC[C@H]([NH2+]Cc2nnc(C)s2)C1 ZINC000391848203 711140542 /nfs/dbraw/zinc/14/05/42/711140542.db2.gz IDZDFNASHAMGCL-JTQLQIEISA-N 1 2 240.376 1.420 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OC ZINC000395082258 711201285 /nfs/dbraw/zinc/20/12/85/711201285.db2.gz AXTSGLCDGWBLFH-SRVKXCTJSA-N 1 2 245.363 1.835 20 0 BDADLO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cnsn1 ZINC000399825663 711436592 /nfs/dbraw/zinc/43/65/92/711436592.db2.gz CGOIZDSXGQLKJF-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cnsn1 ZINC000399825663 711436594 /nfs/dbraw/zinc/43/65/94/711436594.db2.gz CGOIZDSXGQLKJF-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001067008419 710598181 /nfs/dbraw/zinc/59/81/81/710598181.db2.gz IWRCWOKERLVNRO-GZMMTYOYSA-N 1 2 234.303 1.064 20 0 BDADLO CCCNc1cc(NCCCCF)nc[nH+]1 ZINC000381064189 710600420 /nfs/dbraw/zinc/60/04/20/710600420.db2.gz MEKMKWIRROVVJW-UHFFFAOYSA-N 1 2 226.299 1.882 20 0 BDADLO CCCNc1cc(NCCCCF)[nH+]cn1 ZINC000381064189 710600422 /nfs/dbraw/zinc/60/04/22/710600422.db2.gz MEKMKWIRROVVJW-UHFFFAOYSA-N 1 2 226.299 1.882 20 0 BDADLO CCC(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001067823125 710984588 /nfs/dbraw/zinc/98/45/88/710984588.db2.gz KSUIWRGPDXRTSB-UHFFFAOYSA-N 1 2 248.330 1.502 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C(F)F ZINC000392698989 711149893 /nfs/dbraw/zinc/14/98/93/711149893.db2.gz UGCVDQQJXJCPAM-ZCFIWIBFSA-N 1 2 202.204 1.530 20 0 BDADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000399689501 711433650 /nfs/dbraw/zinc/43/36/50/711433650.db2.gz VCYYLYSRZVFXFE-SCZZXKLOSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC000399689501 711433653 /nfs/dbraw/zinc/43/36/53/711433653.db2.gz VCYYLYSRZVFXFE-SCZZXKLOSA-N 1 2 227.333 1.273 20 0 BDADLO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cnsn1 ZINC000399825656 711436212 /nfs/dbraw/zinc/43/62/12/711436212.db2.gz CGOIZDSXGQLKJF-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cnsn1 ZINC000399825656 711436213 /nfs/dbraw/zinc/43/62/13/711436213.db2.gz CGOIZDSXGQLKJF-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000252660655 711448615 /nfs/dbraw/zinc/44/86/15/711448615.db2.gz BNPWFUWFOPPLRY-MVWJERBFSA-N 1 2 243.347 1.589 20 0 BDADLO CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001075464266 711618724 /nfs/dbraw/zinc/61/87/24/711618724.db2.gz VTVCTXCEFBEOAS-CMPLNLGQSA-N 1 2 249.314 1.117 20 0 BDADLO CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001075464266 711618726 /nfs/dbraw/zinc/61/87/26/711618726.db2.gz VTVCTXCEFBEOAS-CMPLNLGQSA-N 1 2 249.314 1.117 20 0 BDADLO CC(=O)c1cccc(NC(=O)C[NH+](C)C)c1O ZINC000647711313 711728708 /nfs/dbraw/zinc/72/87/08/711728708.db2.gz SWNBPNBSKQBGEM-UHFFFAOYSA-N 1 2 236.271 1.095 20 0 BDADLO CC(C)(F)CNC(=O)CNc1cccc[nH+]1 ZINC000913423789 711822327 /nfs/dbraw/zinc/82/23/27/711822327.db2.gz NHHNKOKIBQWPLG-UHFFFAOYSA-N 1 2 225.267 1.358 20 0 BDADLO CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047147327 711879293 /nfs/dbraw/zinc/87/92/93/711879293.db2.gz KWRHNXRGKGPORD-NWDGAFQWSA-N 1 2 248.330 1.502 20 0 BDADLO COCC[N@H+](C)Cn1cccnc1=S ZINC000921048701 711881656 /nfs/dbraw/zinc/88/16/56/711881656.db2.gz RRKXQZXYPMQKMF-UHFFFAOYSA-N 1 2 213.306 1.148 20 0 BDADLO COCC[N@@H+](C)Cn1cccnc1=S ZINC000921048701 711881658 /nfs/dbraw/zinc/88/16/58/711881658.db2.gz RRKXQZXYPMQKMF-UHFFFAOYSA-N 1 2 213.306 1.148 20 0 BDADLO CC[N@H+](CCOC)Cn1cccnc1=S ZINC000921047217 711882164 /nfs/dbraw/zinc/88/21/64/711882164.db2.gz UHAWJLQQOSVOAV-UHFFFAOYSA-N 1 2 227.333 1.538 20 0 BDADLO CC[N@@H+](CCOC)Cn1cccnc1=S ZINC000921047217 711882165 /nfs/dbraw/zinc/88/21/65/711882165.db2.gz UHAWJLQQOSVOAV-UHFFFAOYSA-N 1 2 227.333 1.538 20 0 BDADLO CC[C@@](C)(CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494511 711935498 /nfs/dbraw/zinc/93/54/98/711935498.db2.gz LBXROYSPACZBBL-CABZTGNLSA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@@](C)(O)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494553 711935580 /nfs/dbraw/zinc/93/55/80/711935580.db2.gz LGKMDZWHUBAEGU-JOYOIKCWSA-N 1 2 231.336 1.467 20 0 BDADLO CC(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057553635 711954037 /nfs/dbraw/zinc/95/40/37/711954037.db2.gz LFNHWXBSOSCWLL-LLVKDONJSA-N 1 2 234.303 1.208 20 0 BDADLO CN(C(=O)C(C)(C)F)[C@@H]1CC[N@H+](CCF)C1 ZINC001032860768 711964986 /nfs/dbraw/zinc/96/49/86/711964986.db2.gz HACYGXITMHZJRR-SECBINFHSA-N 1 2 234.290 1.237 20 0 BDADLO CN(C(=O)C(C)(C)F)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032860768 711964988 /nfs/dbraw/zinc/96/49/88/711964988.db2.gz HACYGXITMHZJRR-SECBINFHSA-N 1 2 234.290 1.237 20 0 BDADLO CNc1cc(N2CCO[C@H](CCF)C2)nc[nH+]1 ZINC000700573767 711997296 /nfs/dbraw/zinc/99/72/96/711997296.db2.gz CYBNDRBLIVYESI-SECBINFHSA-N 1 2 240.282 1.083 20 0 BDADLO CNc1cc(N2CCO[C@H](CCF)C2)[nH+]cn1 ZINC000700573767 711997298 /nfs/dbraw/zinc/99/72/98/711997298.db2.gz CYBNDRBLIVYESI-SECBINFHSA-N 1 2 240.282 1.083 20 0 BDADLO CCc1nnc(C[NH2+][C@@H]2C[C@]2(C)OC)s1 ZINC000702677777 712059153 /nfs/dbraw/zinc/05/91/53/712059153.db2.gz OGKLUCPJNSGPFX-XCBNKYQSSA-N 1 2 227.333 1.368 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706325703 712143681 /nfs/dbraw/zinc/14/36/81/712143681.db2.gz NKONLQYNZAHAFZ-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706325703 712143682 /nfs/dbraw/zinc/14/36/82/712143682.db2.gz NKONLQYNZAHAFZ-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709059011 712206781 /nfs/dbraw/zinc/20/67/81/712206781.db2.gz FEXHSEWTPWNOET-SECBINFHSA-N 1 2 239.237 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709059011 712206784 /nfs/dbraw/zinc/20/67/84/712206784.db2.gz FEXHSEWTPWNOET-SECBINFHSA-N 1 2 239.237 1.824 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000709078742 712207651 /nfs/dbraw/zinc/20/76/51/712207651.db2.gz DKEGFAIWLZTZPZ-DKRCXCIFSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000709078742 712207654 /nfs/dbraw/zinc/20/76/54/712207654.db2.gz DKEGFAIWLZTZPZ-DKRCXCIFSA-N 1 2 241.331 1.463 20 0 BDADLO CNc1cc(N[C@H]2COC3(CCC3)C2)nc[nH+]1 ZINC000711128146 712286075 /nfs/dbraw/zinc/28/60/75/712286075.db2.gz NUSBCGFRJRCGRZ-SECBINFHSA-N 1 2 234.303 1.642 20 0 BDADLO CNc1cc(N[C@H]2COC3(CCC3)C2)[nH+]cn1 ZINC000711128146 712286076 /nfs/dbraw/zinc/28/60/76/712286076.db2.gz NUSBCGFRJRCGRZ-SECBINFHSA-N 1 2 234.303 1.642 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001064709541 712345112 /nfs/dbraw/zinc/34/51/12/712345112.db2.gz YSKSBVLUYAUUHZ-JOYOIKCWSA-N 1 2 248.330 1.596 20 0 BDADLO CCCCN(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724726887 712392464 /nfs/dbraw/zinc/39/24/64/712392464.db2.gz GUQQWNKNJMPBFP-SSDOTTSWSA-N 1 2 208.252 1.227 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](C)OC)C(C)(C)C ZINC000390613072 712421489 /nfs/dbraw/zinc/42/14/89/712421489.db2.gz FSNSAPXJIDWCER-NXEZZACHSA-N 1 2 231.336 1.589 20 0 BDADLO Cn1cc(C[NH2+]CCF)c(Br)n1 ZINC000712401175 712429108 /nfs/dbraw/zinc/42/91/08/712429108.db2.gz NBHVIWDLKXGOGK-UHFFFAOYSA-N 1 2 236.088 1.242 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712797725 712449376 /nfs/dbraw/zinc/44/93/76/712449376.db2.gz UFTALAKSXHEVCC-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712797725 712449377 /nfs/dbraw/zinc/44/93/77/712449377.db2.gz UFTALAKSXHEVCC-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713562485 712464811 /nfs/dbraw/zinc/46/48/11/712464811.db2.gz TXCUGSWBIDHTJD-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713562485 712464813 /nfs/dbraw/zinc/46/48/13/712464813.db2.gz TXCUGSWBIDHTJD-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nccc2nc[nH]c21 ZINC000714219043 712478784 /nfs/dbraw/zinc/47/87/84/712478784.db2.gz RHZCMDMJIWOJAC-SECBINFHSA-N 1 2 242.286 1.655 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715414785 712517646 /nfs/dbraw/zinc/51/76/46/712517646.db2.gz NKNVAYSLFAJKQZ-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715414785 712517647 /nfs/dbraw/zinc/51/76/47/712517647.db2.gz NKNVAYSLFAJKQZ-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1[nH]ncc1C ZINC000715488552 712518965 /nfs/dbraw/zinc/51/89/65/712518965.db2.gz NMDANHUNXNUQFN-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1[nH]ncc1C ZINC000715488552 712518966 /nfs/dbraw/zinc/51/89/66/712518966.db2.gz NMDANHUNXNUQFN-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1cc[nH+]cc1F ZINC000716812605 712576133 /nfs/dbraw/zinc/57/61/33/712576133.db2.gz CABYDHMSRYDQHG-BDAKNGLRSA-N 1 2 212.268 1.604 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1nc[nH+]c(N)c1OC ZINC000716879092 712580136 /nfs/dbraw/zinc/58/01/36/712580136.db2.gz QQJOOHVSDRMQFZ-JGVFFNPUSA-N 1 2 240.307 1.029 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1[nH+]cnc(N)c1OC ZINC000716879092 712580137 /nfs/dbraw/zinc/58/01/37/712580137.db2.gz QQJOOHVSDRMQFZ-JGVFFNPUSA-N 1 2 240.307 1.029 20 0 BDADLO Cc1ccc(NC(=O)N2CC(C)C2)c(N(C)C)[nH+]1 ZINC000806364437 712582812 /nfs/dbraw/zinc/58/28/12/712582812.db2.gz WLSFGUIYMAWSMT-UHFFFAOYSA-N 1 2 248.330 1.940 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC=CO1 ZINC000379982859 712643861 /nfs/dbraw/zinc/64/38/61/712643861.db2.gz ZYNAUOZXCHDOBQ-VIFPVBQESA-N 1 2 245.286 1.468 20 0 BDADLO CCCNc1cc(NC/C=C/CO)nc[nH+]1 ZINC000717498106 712659983 /nfs/dbraw/zinc/65/99/83/712659983.db2.gz LCDWQBOFZSRVJA-ONEGZZNKSA-N 1 2 222.292 1.259 20 0 BDADLO CCOC(C[N@@H+]1CCn2cccc2C1)OCC ZINC000932524998 712717554 /nfs/dbraw/zinc/71/75/54/712717554.db2.gz RVZVWDODNXXGPE-UHFFFAOYSA-N 1 2 238.331 1.703 20 0 BDADLO CCOC(C[N@H+]1CCn2cccc2C1)OCC ZINC000932524998 712717556 /nfs/dbraw/zinc/71/75/56/712717556.db2.gz RVZVWDODNXXGPE-UHFFFAOYSA-N 1 2 238.331 1.703 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Nc1nccs1 ZINC000042338277 712720379 /nfs/dbraw/zinc/72/03/79/712720379.db2.gz RMHVCLVMDJSUEB-SECBINFHSA-N 1 2 227.333 1.276 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CO)C(C)(C)C ZINC000193097359 712727612 /nfs/dbraw/zinc/72/76/12/712727612.db2.gz JYDGRDCBLLRVSH-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO COCC(C)(C)CCNc1nc(C)[nH+]c(N)n1 ZINC000718935352 712789066 /nfs/dbraw/zinc/78/90/66/712789066.db2.gz PYUIDMOCUWHANW-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO C[C@@H]([NH2+]C/C=C/Cl)c1cn(C)nn1 ZINC000720603853 712857833 /nfs/dbraw/zinc/85/78/33/712857833.db2.gz VVTHBIGVNALTHX-KGGZQZJCSA-N 1 2 200.673 1.218 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)c1cccn1C ZINC000724144012 958741711 /nfs/dbraw/zinc/74/17/11/958741711.db2.gz DOZMCDSKFMNHDI-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)c1cccn1C ZINC000724144012 958741719 /nfs/dbraw/zinc/74/17/19/958741719.db2.gz DOZMCDSKFMNHDI-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO CC1(C)CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724753264 959359189 /nfs/dbraw/zinc/35/91/89/959359189.db2.gz UTOHORYOJDLORS-QMMMGPOBSA-N 1 2 234.290 1.618 20 0 BDADLO CCC(C)(C)[C@H](C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724772694 959427994 /nfs/dbraw/zinc/42/79/94/959427994.db2.gz YJLZHGVEDJMZNK-YUMQZZPRSA-N 1 2 236.306 1.910 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1cnccn1 ZINC000308892239 960216531 /nfs/dbraw/zinc/21/65/31/960216531.db2.gz HVFZZYWUVMNYAM-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CC(C)(CNC(=O)C(F)(F)F)n1cc[nH+]c1 ZINC000692643767 960363978 /nfs/dbraw/zinc/36/39/78/960363978.db2.gz UIWYSDRIIIQALM-UHFFFAOYSA-N 1 2 235.209 1.297 20 0 BDADLO COc1cc(F)c(C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC001140823358 960609981 /nfs/dbraw/zinc/60/99/81/960609981.db2.gz DHOQARGTSFTOPP-MRVPVSSYSA-N 1 2 243.253 1.540 20 0 BDADLO COc1cc(F)c(C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC001140823358 960610003 /nfs/dbraw/zinc/61/00/03/960610003.db2.gz DHOQARGTSFTOPP-MRVPVSSYSA-N 1 2 243.253 1.540 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@]3(CCCO3)C2)n[nH]1 ZINC001203070221 960628735 /nfs/dbraw/zinc/62/87/35/960628735.db2.gz LJJSJBROLGRDRJ-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO CCN(CCn1cc[nH+]c1)Cc1csnn1 ZINC001140999062 960790218 /nfs/dbraw/zinc/79/02/18/960790218.db2.gz OVMPHRQQTIXNGB-UHFFFAOYSA-N 1 2 237.332 1.257 20 0 BDADLO F[C@@H]1C[N@H+](Cc2cn[nH]c2)CCCC1(F)F ZINC001203086579 960817947 /nfs/dbraw/zinc/81/79/47/960817947.db2.gz UNFFCCATIRKVOR-SECBINFHSA-N 1 2 233.237 1.979 20 0 BDADLO F[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCCC1(F)F ZINC001203086579 960817948 /nfs/dbraw/zinc/81/79/48/960817948.db2.gz UNFFCCATIRKVOR-SECBINFHSA-N 1 2 233.237 1.979 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168100945 963709788 /nfs/dbraw/zinc/70/97/88/963709788.db2.gz GBPZBMSTUCXJIJ-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO COCc1cc[nH+]c(NCC[C@@H](C)CO)c1 ZINC001160603125 964350158 /nfs/dbraw/zinc/35/01/58/964350158.db2.gz WZQRVEJSKCPKRJ-SNVBAGLBSA-N 1 2 224.304 1.658 20 0 BDADLO COc1ncc(F)cc1C[NH+]1CCC(O)CC1 ZINC001231741124 965282191 /nfs/dbraw/zinc/28/21/91/965282191.db2.gz RKEVAAMKIZNMDR-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO CC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106197853 965806804 /nfs/dbraw/zinc/80/68/04/965806804.db2.gz JOXBTZYMOBYRET-QMMMGPOBSA-N 1 2 222.292 1.112 20 0 BDADLO Nc1[nH+]cccc1CSc1c[nH]nn1 ZINC001165734669 966149982 /nfs/dbraw/zinc/14/99/82/966149982.db2.gz BQCHJETVZVMTFQ-UHFFFAOYSA-N 1 2 207.262 1.074 20 0 BDADLO Nc1[nH+]cccc1CSc1cn[nH]n1 ZINC001165734669 966149992 /nfs/dbraw/zinc/14/99/92/966149992.db2.gz BQCHJETVZVMTFQ-UHFFFAOYSA-N 1 2 207.262 1.074 20 0 BDADLO Cc1c(F)cc[nH+]c1N(C)CC1COC1 ZINC001166950352 966478335 /nfs/dbraw/zinc/47/83/35/966478335.db2.gz SNEIEMBWSLEVLS-UHFFFAOYSA-N 1 2 210.252 1.612 20 0 BDADLO CCOC(=O)CCCc1cc[nH+]c(N)c1 ZINC001249974117 967216298 /nfs/dbraw/zinc/21/62/98/967216298.db2.gz JKEDUXTZISFLGF-UHFFFAOYSA-N 1 2 208.261 1.550 20 0 BDADLO OCc1c(F)cccc1CC[NH+]1CCOCC1 ZINC001250276416 967612424 /nfs/dbraw/zinc/61/24/24/967612424.db2.gz FYICOQRMICPXHA-UHFFFAOYSA-N 1 2 239.290 1.193 20 0 BDADLO Oc1ccc(CCn2cc[nH+]c2)cc1F ZINC001250315365 967682803 /nfs/dbraw/zinc/68/28/03/967682803.db2.gz KYFANVIOYRVGHY-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)co1 ZINC001206050350 968015259 /nfs/dbraw/zinc/01/52/59/968015259.db2.gz XGERAFWUHUILSF-PHIMTYICSA-N 1 2 220.272 1.679 20 0 BDADLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)co1 ZINC001206050350 968015270 /nfs/dbraw/zinc/01/52/70/968015270.db2.gz XGERAFWUHUILSF-PHIMTYICSA-N 1 2 220.272 1.679 20 0 BDADLO COC(=O)CC[N@@H+](Cc1coc(C)n1)C1CC1 ZINC001206087276 968055352 /nfs/dbraw/zinc/05/53/52/968055352.db2.gz OPXAXRJMNVWRES-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO CCCC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001252086659 968508703 /nfs/dbraw/zinc/50/87/03/968508703.db2.gz PKHNFQMUINWLOA-NSHDSACASA-N 1 2 245.363 1.811 20 0 BDADLO CCCC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001252086659 968508710 /nfs/dbraw/zinc/50/87/10/968508710.db2.gz PKHNFQMUINWLOA-NSHDSACASA-N 1 2 245.363 1.811 20 0 BDADLO COc1cncc(C[N@H+](C)C2(C)COC2)c1 ZINC001206997671 968530974 /nfs/dbraw/zinc/53/09/74/968530974.db2.gz WRFAFQQGVZKVFU-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cncc(C[N@@H+](C)C2(C)COC2)c1 ZINC001206997671 968530980 /nfs/dbraw/zinc/53/09/80/968530980.db2.gz WRFAFQQGVZKVFU-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207065318 968596697 /nfs/dbraw/zinc/59/66/97/968596697.db2.gz NUCHYKUFYNQGJJ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207065318 968596709 /nfs/dbraw/zinc/59/67/09/968596709.db2.gz NUCHYKUFYNQGJJ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CC(C)(C)O ZINC001252365196 968642952 /nfs/dbraw/zinc/64/29/52/968642952.db2.gz GNMGZRKDEGZMMV-JTQLQIEISA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)[C@H](CCSC)[NH2+]CC(C)(C)O ZINC001252366349 968644529 /nfs/dbraw/zinc/64/45/29/968644529.db2.gz BYBSDJUQXNPCRF-VIFPVBQESA-N 1 2 249.376 1.032 20 0 BDADLO CCn1ccnc1C[N@H+](C)CCC1OCCO1 ZINC001207146498 968655888 /nfs/dbraw/zinc/65/58/88/968655888.db2.gz UDFGBHXWACOCNX-UHFFFAOYSA-N 1 2 239.319 1.098 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CCC1OCCO1 ZINC001207146498 968655894 /nfs/dbraw/zinc/65/58/94/968655894.db2.gz UDFGBHXWACOCNX-UHFFFAOYSA-N 1 2 239.319 1.098 20 0 BDADLO CCC[C@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252773087 968941623 /nfs/dbraw/zinc/94/16/23/968941623.db2.gz UWCIUOJXPXLZEC-NSHDSACASA-N 1 2 223.320 1.721 20 0 BDADLO Cc1ccc(CCC[NH+]2CCN(C#N)CC2)o1 ZINC001207949069 968944894 /nfs/dbraw/zinc/94/48/94/968944894.db2.gz ILMDTYXEAMWFTF-UHFFFAOYSA-N 1 2 233.315 1.619 20 0 BDADLO CCS(=O)(=O)Nc1c[nH+]c2ccccn12 ZINC001253277924 969127109 /nfs/dbraw/zinc/12/71/09/969127109.db2.gz WDQUEUOSZFEWFH-UHFFFAOYSA-N 1 2 225.273 1.096 20 0 BDADLO CCCCC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC001253534588 969209159 /nfs/dbraw/zinc/20/91/59/969209159.db2.gz BICVXKWOUYRBLT-ZDUSSCGKSA-N 1 2 237.347 1.640 20 0 BDADLO CCCCC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC001253534588 969209169 /nfs/dbraw/zinc/20/91/69/969209169.db2.gz BICVXKWOUYRBLT-ZDUSSCGKSA-N 1 2 237.347 1.640 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+](C)Cc1ncccn1 ZINC001208916431 969299597 /nfs/dbraw/zinc/29/95/97/969299597.db2.gz SYXSWQJKZYGUTR-UHFFFAOYSA-N 1 2 235.331 1.914 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+](C)Cc1ncccn1 ZINC001208916431 969299603 /nfs/dbraw/zinc/29/96/03/969299603.db2.gz SYXSWQJKZYGUTR-UHFFFAOYSA-N 1 2 235.331 1.914 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+]1CCO[C@H](C(C)=O)C1 ZINC001208921322 969305566 /nfs/dbraw/zinc/30/55/66/969305566.db2.gz AWCRDMRJMJTXAA-NSHDSACASA-N 1 2 241.331 1.282 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001208921322 969305589 /nfs/dbraw/zinc/30/55/89/969305589.db2.gz AWCRDMRJMJTXAA-NSHDSACASA-N 1 2 241.331 1.282 20 0 BDADLO COC(C)(C)CC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001209404039 969469176 /nfs/dbraw/zinc/46/91/76/969469176.db2.gz RKDOTHLNDUETRF-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO COC(C)(C)CC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001209404039 969469188 /nfs/dbraw/zinc/46/91/88/969469188.db2.gz RKDOTHLNDUETRF-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)[nH]1 ZINC001209576876 969563459 /nfs/dbraw/zinc/56/34/59/969563459.db2.gz FUXMXDQRKZFHMT-RYUDHWBXSA-N 1 2 205.305 1.211 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)[nH]1 ZINC001209576876 969563463 /nfs/dbraw/zinc/56/34/63/969563463.db2.gz FUXMXDQRKZFHMT-RYUDHWBXSA-N 1 2 205.305 1.211 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cncs1)c1cn(C)nn1 ZINC000720581836 970154869 /nfs/dbraw/zinc/15/48/69/970154869.db2.gz FJPSORNJCINDRX-HTQZYQBOSA-N 1 2 237.332 1.683 20 0 BDADLO C[C@H]1CC[C@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001170130366 970390740 /nfs/dbraw/zinc/39/07/40/970390740.db2.gz FSCZBXZRSXONDR-UWVGGRQHSA-N 1 2 218.291 1.716 20 0 BDADLO CCSC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001173306502 975212104 /nfs/dbraw/zinc/21/21/04/975212104.db2.gz VNAYZVQUYYYNTC-CIUDSAMLSA-N 1 2 234.340 1.026 20 0 BDADLO CCSC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001173306502 975212114 /nfs/dbraw/zinc/21/21/14/975212114.db2.gz VNAYZVQUYYYNTC-CIUDSAMLSA-N 1 2 234.340 1.026 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ocnc1C ZINC001332705847 975263342 /nfs/dbraw/zinc/26/33/42/975263342.db2.gz AUULVKPKDKSDHZ-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO Cc1cc[nH+]c(C)c1OC[C@H]1COC(=O)O1 ZINC001227263049 975340146 /nfs/dbraw/zinc/34/01/46/975340146.db2.gz BNLUZQBIQIJEDZ-VIFPVBQESA-N 1 2 223.228 1.613 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc(Cl)sn2)C1 ZINC001227374606 975377846 /nfs/dbraw/zinc/37/78/46/975377846.db2.gz WBEAXXWNGVTCRJ-ZETCQYMHSA-N 1 2 248.735 1.506 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc(Cl)sn2)C1 ZINC001227374606 975377854 /nfs/dbraw/zinc/37/78/54/975377854.db2.gz WBEAXXWNGVTCRJ-ZETCQYMHSA-N 1 2 248.735 1.506 20 0 BDADLO COC(=O)CCCC[C@@H](C)[N@@H+]1CCC(=O)C1 ZINC001173455099 975397514 /nfs/dbraw/zinc/39/75/14/975397514.db2.gz LSATUWPXYZXGFC-SNVBAGLBSA-N 1 2 227.304 1.383 20 0 BDADLO COC(=O)CCCC[C@@H](C)[N@H+]1CCC(=O)C1 ZINC001173455099 975397526 /nfs/dbraw/zinc/39/75/26/975397526.db2.gz LSATUWPXYZXGFC-SNVBAGLBSA-N 1 2 227.304 1.383 20 0 BDADLO Cc1cc(=O)cc(OC2C[NH+](C(C)C)C2)[nH]1 ZINC001228123368 975917988 /nfs/dbraw/zinc/91/79/88/975917988.db2.gz YZVMHWHHBRTUNC-UHFFFAOYSA-N 1 2 222.288 1.567 20 0 BDADLO CC(C)c1ocnc1C[N@H+]1CC[C@@H]1CO ZINC001335245503 976895750 /nfs/dbraw/zinc/89/57/50/976895750.db2.gz XUGGZBMZHHPLIT-SECBINFHSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccns2)[C@@H](C)C[N@@H+]1C ZINC001335848401 977325799 /nfs/dbraw/zinc/32/57/99/977325799.db2.gz XAWTUVGQWVJVNA-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccns2)[C@@H](C)C[N@H+]1C ZINC001335848401 977325803 /nfs/dbraw/zinc/32/58/03/977325803.db2.gz XAWTUVGQWVJVNA-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO Cn1cnnc1C[N@H+]1CC(C)(C)C1(C)C ZINC001335990503 977409798 /nfs/dbraw/zinc/40/97/98/977409798.db2.gz ZQEQXXCTISMVPH-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C1(C)CC1 ZINC001336202003 977562206 /nfs/dbraw/zinc/56/22/06/977562206.db2.gz PAQFOBKEGUDESB-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C1(C)CC1 ZINC001336202003 977562216 /nfs/dbraw/zinc/56/22/16/977562216.db2.gz PAQFOBKEGUDESB-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001231312681 977567974 /nfs/dbraw/zinc/56/79/74/977567974.db2.gz SEYFQFUASNGZEU-NWDGAFQWSA-N 1 2 244.354 1.925 20 0 BDADLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001231312681 977567978 /nfs/dbraw/zinc/56/79/78/977567978.db2.gz SEYFQFUASNGZEU-NWDGAFQWSA-N 1 2 244.354 1.925 20 0 BDADLO OCC1C[NH+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231734055 977713871 /nfs/dbraw/zinc/71/38/71/977713871.db2.gz PEXKINYYMHWRFB-UHFFFAOYSA-N 1 2 227.691 1.470 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC3(CC3)C2)s1 ZINC001232242156 977968191 /nfs/dbraw/zinc/96/81/91/977968191.db2.gz HHWCXKYPQMYIBK-UHFFFAOYSA-N 1 2 209.318 1.832 20 0 BDADLO Cc1nnc(C[N@H+]2CCC3(CC3)C2)s1 ZINC001232242156 977968201 /nfs/dbraw/zinc/96/82/01/977968201.db2.gz HHWCXKYPQMYIBK-UHFFFAOYSA-N 1 2 209.318 1.832 20 0 BDADLO CCc1csc(C[NH+]2CC3(C2)CCOC3)n1 ZINC001232469237 978116976 /nfs/dbraw/zinc/11/69/76/978116976.db2.gz JBOVRRJDRYERKH-UHFFFAOYSA-N 1 2 238.356 1.928 20 0 BDADLO CNc1ccccc1C[N@H+](C)[C@@H](C)C(=O)OC ZINC001232670350 978221141 /nfs/dbraw/zinc/22/11/41/978221141.db2.gz BPLSBYZLNKASNE-JTQLQIEISA-N 1 2 236.315 1.722 20 0 BDADLO CNc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)OC ZINC001232670350 978221151 /nfs/dbraw/zinc/22/11/51/978221151.db2.gz BPLSBYZLNKASNE-JTQLQIEISA-N 1 2 236.315 1.722 20 0 BDADLO FCCN1CC[NH+](Cc2ccccc2F)CC1 ZINC001203353316 978302698 /nfs/dbraw/zinc/30/26/98/978302698.db2.gz BFFCYRPOKKLWII-UHFFFAOYSA-N 1 2 240.297 1.913 20 0 BDADLO C[C@H](C(=O)Nc1ccc[nH]1)n1cc[nH+]c1 ZINC001177923050 978473122 /nfs/dbraw/zinc/47/31/22/978473122.db2.gz UPSBRFCCAROQPJ-MRVPVSSYSA-N 1 2 204.233 1.411 20 0 BDADLO COCCN(C(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001177922220 978472041 /nfs/dbraw/zinc/47/20/41/978472041.db2.gz PJUYUJOSFHRZED-LLVKDONJSA-N 1 2 239.319 1.328 20 0 BDADLO CC(C)c1ocnc1C[N@H+](C)C1CC(O)C1 ZINC001337843962 978522212 /nfs/dbraw/zinc/52/22/12/978522212.db2.gz ALVQETJWKDKRAF-UHFFFAOYSA-N 1 2 224.304 1.753 20 0 BDADLO CC(C)c1ocnc1C[N@@H+](C)C1CC(O)C1 ZINC001337843962 978522218 /nfs/dbraw/zinc/52/22/18/978522218.db2.gz ALVQETJWKDKRAF-UHFFFAOYSA-N 1 2 224.304 1.753 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446432 978602894 /nfs/dbraw/zinc/60/28/94/978602894.db2.gz VOAQFXFKBFVLLR-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCF)C1CC1 ZINC001233528485 978622805 /nfs/dbraw/zinc/62/28/05/978622805.db2.gz AGPSEBXWVAEKIT-PWSUYJOCSA-N 1 2 242.338 1.535 20 0 BDADLO C[NH+]1CC(Oc2nc(Cl)nc3cc[nH]c32)C1 ZINC001234065528 978764036 /nfs/dbraw/zinc/76/40/36/978764036.db2.gz WMHPLSGLPCKSOR-UHFFFAOYSA-N 1 2 238.678 1.304 20 0 BDADLO CCCn1c[nH+]cc1CN1CCOC(C)(C)C1 ZINC001180271154 978851979 /nfs/dbraw/zinc/85/19/79/978851979.db2.gz DXZOAQJIORBFOV-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC001339925219 978941899 /nfs/dbraw/zinc/94/18/99/978941899.db2.gz GDJKYZAJXPALDT-XVKPBYJWSA-N 1 2 246.301 1.758 20 0 BDADLO C[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1(C)C ZINC001340309149 979008768 /nfs/dbraw/zinc/00/87/68/979008768.db2.gz QQADQXWUWFRFJQ-DTWKUNHWSA-N 1 2 248.317 1.864 20 0 BDADLO [NH3+][C@H](CC(=O)NCCC[C@H]1C=CCC1)C(F)F ZINC001340940525 979167816 /nfs/dbraw/zinc/16/78/16/979167816.db2.gz LDCIOJFCIYNYFY-VHSXEESVSA-N 1 2 246.301 1.832 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@H]2C[C@]2(F)Cl)[nH+]1 ZINC001181669229 979240417 /nfs/dbraw/zinc/24/04/17/979240417.db2.gz SQVOXKFLBXWSRE-GMSGAONNSA-N 1 2 245.685 1.301 20 0 BDADLO OCCCC[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236008364 979300442 /nfs/dbraw/zinc/30/04/42/979300442.db2.gz JPJAOLRKJBOQNR-XHNCKOQMSA-N 1 2 239.237 1.163 20 0 BDADLO OCCCC[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236008364 979300451 /nfs/dbraw/zinc/30/04/51/979300451.db2.gz JPJAOLRKJBOQNR-XHNCKOQMSA-N 1 2 239.237 1.163 20 0 BDADLO CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605275744 979847092 /nfs/dbraw/zinc/84/70/92/979847092.db2.gz BWXCGDFIABGKOO-NEPJUHHUSA-N 1 2 242.363 1.561 20 0 BDADLO CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605275744 979847097 /nfs/dbraw/zinc/84/70/97/979847097.db2.gz BWXCGDFIABGKOO-NEPJUHHUSA-N 1 2 242.363 1.561 20 0 BDADLO CC[N@@H+]1CCC[C@H]([NH2+]CCCCCC(=O)[O-])C1 ZINC001605477611 979881488 /nfs/dbraw/zinc/88/14/88/979881488.db2.gz NDBOYXDVZPVIDV-LBPRGKRZSA-N 1 2 242.363 1.705 20 0 BDADLO CC[N@H+]1CCC[C@H]([NH2+]CCCCCC(=O)[O-])C1 ZINC001605477611 979881496 /nfs/dbraw/zinc/88/14/96/979881496.db2.gz NDBOYXDVZPVIDV-LBPRGKRZSA-N 1 2 242.363 1.705 20 0 BDADLO CCCCOC1CN(Cc2c[nH+]cn2CC)C1 ZINC001237591769 979947944 /nfs/dbraw/zinc/94/79/44/979947944.db2.gz YSAFFESVKNNOOO-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1nc(C[N@@H+](C)C2(C)COC2)ccc1F ZINC001237819794 980068340 /nfs/dbraw/zinc/06/83/40/980068340.db2.gz LGYGWIUWMBNLFT-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1nc(C[N@H+](C)C2(C)COC2)ccc1F ZINC001237819794 980068353 /nfs/dbraw/zinc/06/83/53/980068353.db2.gz LGYGWIUWMBNLFT-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(N(C)C)nc(/C=C/C(C)(C)O)[nH+]1 ZINC001239146882 980460594 /nfs/dbraw/zinc/46/05/94/980460594.db2.gz DRWDIEZFGZBOKQ-VOTSOKGWSA-N 1 2 221.304 1.635 20 0 BDADLO Oc1cc(F)cc(CCn2cc[nH+]c2)c1 ZINC001250318934 980757202 /nfs/dbraw/zinc/75/72/02/980757202.db2.gz MXTVMALLAHLVIK-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO CCCONC(=O)NCc1cc[nH+]c(NC)c1 ZINC001346432249 980835906 /nfs/dbraw/zinc/83/59/06/980835906.db2.gz JYZFSWCTDRTSHJ-UHFFFAOYSA-N 1 2 238.291 1.264 20 0 BDADLO CN(C)c1cc(COC(=O)CCF)cc[nH+]1 ZINC001347261429 981023997 /nfs/dbraw/zinc/02/39/97/981023997.db2.gz PYOXNTAGJICWJE-UHFFFAOYSA-N 1 2 226.251 1.550 20 0 BDADLO CS[C@@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001349036204 981501231 /nfs/dbraw/zinc/50/12/31/981501231.db2.gz VWUDQQNFMNBYSM-VIFPVBQESA-N 1 2 242.344 1.913 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(F)CCCC1 ZINC001349278036 981525631 /nfs/dbraw/zinc/52/56/31/981525631.db2.gz PXLRHACOHJKRQN-UHFFFAOYSA-N 1 2 239.294 1.361 20 0 BDADLO CC[C@@H](C)COC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001194813971 981909594 /nfs/dbraw/zinc/90/95/94/981909594.db2.gz COFSRAOIXCDKBB-MNOVXSKESA-N 1 2 244.335 1.089 20 0 BDADLO CC[C@@H](C)COC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001194813971 981909605 /nfs/dbraw/zinc/90/96/05/981909605.db2.gz COFSRAOIXCDKBB-MNOVXSKESA-N 1 2 244.335 1.089 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ncc(C)o1 ZINC001194974755 981973906 /nfs/dbraw/zinc/97/39/06/981973906.db2.gz NJNNBULUADHQPQ-KXUCPTDWSA-N 1 2 226.276 1.047 20 0 BDADLO CCC(C)(C)OCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001351033449 982181505 /nfs/dbraw/zinc/18/15/05/982181505.db2.gz RNFJMNJKNCYYGY-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1nncs1 ZINC001351374882 982303977 /nfs/dbraw/zinc/30/39/77/982303977.db2.gz QZSQGNZULHXOTB-QMMMGPOBSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1nncs1 ZINC001351374882 982303990 /nfs/dbraw/zinc/30/39/90/982303990.db2.gz QZSQGNZULHXOTB-QMMMGPOBSA-N 1 2 240.332 1.349 20 0 BDADLO C=CS(=O)(=O)NCc1c[nH+]cn1C(C)C ZINC001198643693 982815857 /nfs/dbraw/zinc/81/58/57/982815857.db2.gz DFFKKBHNWDWABX-UHFFFAOYSA-N 1 2 229.305 1.027 20 0 BDADLO CCC[N@H+](C)Cc1nc(-c2nn[nH]n2)cs1 ZINC001590620223 982960199 /nfs/dbraw/zinc/96/01/99/982960199.db2.gz VJKQOJNOJRDFPJ-UHFFFAOYSA-N 1 2 238.320 1.165 20 0 BDADLO CCC[N@@H+](C)Cc1nc(-c2nn[nH]n2)cs1 ZINC001590620223 982960206 /nfs/dbraw/zinc/96/02/06/982960206.db2.gz VJKQOJNOJRDFPJ-UHFFFAOYSA-N 1 2 238.320 1.165 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](O)[C@@H](F)C2)[nH+]1 ZINC001354280512 983253090 /nfs/dbraw/zinc/25/30/90/983253090.db2.gz XPVMKZSCJVTSMD-VHSXEESVSA-N 1 2 228.242 1.438 20 0 BDADLO CCOCC[C@H](C)N1CC[NH+](CCOC)CC1 ZINC001172421967 974696798 /nfs/dbraw/zinc/69/67/98/974696798.db2.gz WDFFNKCOBVWHSC-ZDUSSCGKSA-N 1 2 244.379 1.066 20 0 BDADLO C[C@H](OCc1c[nH+]cn1C)c1cncnc1 ZINC001222595187 972591093 /nfs/dbraw/zinc/59/10/93/972591093.db2.gz SBPPNXBBQUTPTR-VIFPVBQESA-N 1 2 218.260 1.488 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC001327992276 972842905 /nfs/dbraw/zinc/84/29/05/972842905.db2.gz BWVURHMJZJJRTR-VHSXEESVSA-N 1 2 221.304 1.606 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647594 972911571 /nfs/dbraw/zinc/91/15/71/972911571.db2.gz IAULCKVYWSKICT-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647594 972911585 /nfs/dbraw/zinc/91/15/85/972911585.db2.gz IAULCKVYWSKICT-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CC[NH+]1CC(OCc2nccnc2C)C1 ZINC001223357343 973012528 /nfs/dbraw/zinc/01/25/28/973012528.db2.gz LCCJBNQZXRCTLY-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO COC(=O)c1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243472077 970770723 /nfs/dbraw/zinc/77/07/23/970770723.db2.gz BIVAWWXVOWAZNO-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO C[C@@H]1CC[N@@H+](C2CCS(=O)(=O)CC2)C[C@H]1F ZINC001256387608 970798150 /nfs/dbraw/zinc/79/81/50/970798150.db2.gz YGFFKTIJAJNILR-MWLCHTKSSA-N 1 2 249.351 1.244 20 0 BDADLO C[C@@H]1CC[N@H+](C2CCS(=O)(=O)CC2)C[C@H]1F ZINC001256387608 970798158 /nfs/dbraw/zinc/79/81/58/970798158.db2.gz YGFFKTIJAJNILR-MWLCHTKSSA-N 1 2 249.351 1.244 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](C)Cc1ccccn1 ZINC001256415597 970821500 /nfs/dbraw/zinc/82/15/00/970821500.db2.gz XDIHZNLJMAWEGN-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC001256415597 970821503 /nfs/dbraw/zinc/82/15/03/970821503.db2.gz XDIHZNLJMAWEGN-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CC(C)Cc1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001256432221 970837226 /nfs/dbraw/zinc/83/72/26/970837226.db2.gz MTVGHWIMKFRRDW-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)C(=O)OC ZINC001256718439 970938790 /nfs/dbraw/zinc/93/87/90/970938790.db2.gz IUUWLKUAHSTWGI-CMPLNLGQSA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)Cc1ccncc1)C1CC1 ZINC001256720904 970942044 /nfs/dbraw/zinc/94/20/44/970942044.db2.gz GROSENLCBOIGHI-ZWNOBZJWSA-N 1 2 248.326 1.554 20 0 BDADLO CCOC(=O)c1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243948301 971030544 /nfs/dbraw/zinc/03/05/44/971030544.db2.gz ZJUFLUXBANCJKN-UHFFFAOYSA-N 1 2 233.271 1.378 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H]3C[C@@H]32)C1 ZINC001257071236 971083001 /nfs/dbraw/zinc/08/30/01/971083001.db2.gz PWWOABWSXFZJBF-NOOOWODRSA-N 1 2 239.315 1.191 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCO[C@@H]3C[C@@H]32)C1 ZINC001257071236 971083014 /nfs/dbraw/zinc/08/30/14/971083014.db2.gz PWWOABWSXFZJBF-NOOOWODRSA-N 1 2 239.315 1.191 20 0 BDADLO COC(=O)C1([NH2+]C2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC001257071153 971086651 /nfs/dbraw/zinc/08/66/51/971086651.db2.gz VXNYHDPPXZICRV-NXEZZACHSA-N 1 2 241.331 1.628 20 0 BDADLO C[C@@H]1CC([N@@H+]2CC[C@H](O)C(F)(F)C2)C[C@@H](C)O1 ZINC001257100524 971115322 /nfs/dbraw/zinc/11/53/22/971115322.db2.gz XJWYZFAKAZMDCK-KKZNHRDASA-N 1 2 249.301 1.644 20 0 BDADLO C[C@@H]1CC([N@H+]2CC[C@H](O)C(F)(F)C2)C[C@@H](C)O1 ZINC001257100524 971115330 /nfs/dbraw/zinc/11/53/30/971115330.db2.gz XJWYZFAKAZMDCK-KKZNHRDASA-N 1 2 249.301 1.644 20 0 BDADLO Cc1cc[nH+]c(NC2=CCS(=O)(=O)CC2)c1 ZINC001216563091 971124123 /nfs/dbraw/zinc/12/41/23/971124123.db2.gz XOYUOUXVCZNMNX-UHFFFAOYSA-N 1 2 238.312 1.504 20 0 BDADLO COC(=O)CC[C@H]([NH2+]C1CCCC1)C(=O)OC ZINC001257342490 971250515 /nfs/dbraw/zinc/25/05/15/971250515.db2.gz FBJHJEFZEOMEAX-JTQLQIEISA-N 1 2 243.303 1.013 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nnc(C2CCCC2)o1 ZINC001217697600 971333464 /nfs/dbraw/zinc/33/34/64/971333464.db2.gz OHGJWNAJGRLOIP-QMMMGPOBSA-N 1 2 239.275 1.290 20 0 BDADLO O[C@H]1CC[NH2+][C@H](c2nnc(C3CCCC3)o2)C1 ZINC001217696342 971336813 /nfs/dbraw/zinc/33/68/13/971336813.db2.gz ODGPXMCHBCCOQI-UWVGGRQHSA-N 1 2 237.303 1.513 20 0 BDADLO Cc1nnc([C@H]2[NH2+]CCC[C@H]2C(F)(F)F)o1 ZINC001217704913 971344119 /nfs/dbraw/zinc/34/41/19/971344119.db2.gz DEJGNHHZEUWTEI-RQJHMYQMSA-N 1 2 235.209 1.981 20 0 BDADLO C[NH2+][C@@H](COCc1ccccc1)c1nnc(C)o1 ZINC001217718194 971359901 /nfs/dbraw/zinc/35/99/01/971359901.db2.gz WFEBCZKMBVNCID-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc([C@H]([NH3+])c2ccc(O)cc2)o1 ZINC001217737316 971375969 /nfs/dbraw/zinc/37/59/69/971375969.db2.gz WDJMTSPTRVOQTP-BKDNQFJXSA-N 1 2 245.282 1.947 20 0 BDADLO CSCCO[C@@H](C)C[NH+]1CCOCC1 ZINC001225036228 974157412 /nfs/dbraw/zinc/15/74/12/974157412.db2.gz OOHMHZCWMGVJSV-JTQLQIEISA-N 1 2 219.350 1.087 20 0 BDADLO F[C@@H]1C[NH+]([C@H]2CCCSC2)C[C@H]1F ZINC001257671021 971475525 /nfs/dbraw/zinc/47/55/25/971475525.db2.gz KTDXUEQMOUBJLV-DJLDLDEBSA-N 1 2 207.289 1.874 20 0 BDADLO COC(=O)C1([NH2+]C2CCC3(COC3)CC2)CC1 ZINC001257896254 971529181 /nfs/dbraw/zinc/52/91/81/971529181.db2.gz PHTRHZMNRVFURF-UHFFFAOYSA-N 1 2 239.315 1.241 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccsn1 ZINC001133455342 971543161 /nfs/dbraw/zinc/54/31/61/971543161.db2.gz HIGZHOZCANRNKT-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO Cc1ccc2nc(=O)[nH]c(O[C@H]3CC[NH2+]C3)c2c1 ZINC001218179694 971611564 /nfs/dbraw/zinc/61/15/64/971611564.db2.gz GINBAGSHTRPBAN-VIFPVBQESA-N 1 2 245.282 1.385 20 0 BDADLO Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H]1CC[NH2+]C1 ZINC001218181953 971617885 /nfs/dbraw/zinc/61/78/85/971617885.db2.gz IPWGAHPTCARMAN-VIFPVBQESA-N 1 2 245.282 1.385 20 0 BDADLO CCc1cccnc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218236991 971645973 /nfs/dbraw/zinc/64/59/73/971645973.db2.gz LDINQOSCSXZOOD-SECBINFHSA-N 1 2 228.242 1.630 20 0 BDADLO OCc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218277503 971668098 /nfs/dbraw/zinc/66/80/98/971668098.db2.gz GSYMDEIFIBUWAA-LLVKDONJSA-N 1 2 243.253 1.555 20 0 BDADLO Cc1ccc2nc(=O)[nH]c(O[C@H]3C[NH2+][C@@H]3C)c2c1 ZINC001218383041 971762076 /nfs/dbraw/zinc/76/20/76/971762076.db2.gz MEVRBEOIYXTFHM-KCJUWKMLSA-N 1 2 245.282 1.383 20 0 BDADLO CNC(=O)c1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001245539173 971854476 /nfs/dbraw/zinc/85/44/76/971854476.db2.gz SYLBSHQINKDWAR-UHFFFAOYSA-N 1 2 241.294 1.999 20 0 BDADLO OC1(C(F)(F)F)C[NH+]([C@@H]2CCCOCC2)C1 ZINC001170810191 971874459 /nfs/dbraw/zinc/87/44/59/971874459.db2.gz YCGVXBYOBGOYPF-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO CCOC(=O)C[N@H+](C1CC1)[C@@H]1COC(C)(C)C1 ZINC001172295060 974563573 /nfs/dbraw/zinc/56/35/73/974563573.db2.gz QQILVKWCQLXPSA-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@@H+](C1CC1)[C@@H]1COC(C)(C)C1 ZINC001172295060 974563579 /nfs/dbraw/zinc/56/35/79/974563579.db2.gz QQILVKWCQLXPSA-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO C=C(N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218810885 971941837 /nfs/dbraw/zinc/94/18/37/971941837.db2.gz BKYDEFIQOROVSX-UHFFFAOYSA-N 1 2 228.255 1.283 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CCOC[C@H]2C)c1C(N)=O ZINC001159710628 972086415 /nfs/dbraw/zinc/08/64/15/972086415.db2.gz IIZCFVROOIYYPS-ZJUUUORDSA-N 1 2 249.314 1.326 20 0 BDADLO CC1(NC(=O)CCc2[nH]cc[nH+]2)CCCC1 ZINC001136412669 972159701 /nfs/dbraw/zinc/15/97/01/972159701.db2.gz MOPNLQCCKASPCU-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC001344972925 956965211 /nfs/dbraw/zinc/96/52/11/956965211.db2.gz WHHQNXFXCVKJDR-ZMLRMANQSA-N 1 2 248.282 1.171 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cscn1 ZINC000705335100 957122283 /nfs/dbraw/zinc/12/22/83/957122283.db2.gz IZUNRPGYMDNBQX-WCBMZHEXSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cscn1 ZINC000705335100 957122300 /nfs/dbraw/zinc/12/23/00/957122300.db2.gz IZUNRPGYMDNBQX-WCBMZHEXSA-N 1 2 212.318 1.488 20 0 BDADLO COC(=O)[C@@H](N/C(C)=C/C=C/[NH3+])C(F)(F)F ZINC001171016074 972244307 /nfs/dbraw/zinc/24/43/07/972244307.db2.gz XOGXYJZHRSYLKP-QKOOIPETSA-N 1 2 238.209 1.056 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)nc1 ZINC000705393782 957199197 /nfs/dbraw/zinc/19/91/97/957199197.db2.gz LSZBEJBGMBUFSO-WDEREUQCSA-N 1 2 221.304 1.130 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)nc1 ZINC000705393782 957199202 /nfs/dbraw/zinc/19/92/02/957199202.db2.gz LSZBEJBGMBUFSO-WDEREUQCSA-N 1 2 221.304 1.130 20 0 BDADLO COCCC[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001209054108 957308731 /nfs/dbraw/zinc/30/87/31/957308731.db2.gz WXJRXEARYMEEPB-CIUDSAMLSA-N 1 2 239.237 1.427 20 0 BDADLO COCCC[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001209054108 957308737 /nfs/dbraw/zinc/30/87/37/957308737.db2.gz WXJRXEARYMEEPB-CIUDSAMLSA-N 1 2 239.237 1.427 20 0 BDADLO COCC[NH+]1CC(OCc2ccccc2)C1 ZINC001209212441 957357236 /nfs/dbraw/zinc/35/72/36/957357236.db2.gz FMMVZKULSCZSTR-UHFFFAOYSA-N 1 2 221.300 1.534 20 0 BDADLO CCC(C)(CC)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001266359095 957362772 /nfs/dbraw/zinc/36/27/72/957362772.db2.gz NMDKIRRHPXHKEJ-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO CCC(C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001266359095 957362786 /nfs/dbraw/zinc/36/27/86/957362786.db2.gz NMDKIRRHPXHKEJ-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO CCOCC[C@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001172406637 974663112 /nfs/dbraw/zinc/66/31/12/974663112.db2.gz OJBSFKWVRODPLS-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO CCC(CC)([NH2+]CCn1cc[nH+]c1)C(=O)[O-] ZINC000042543476 957420713 /nfs/dbraw/zinc/42/07/13/957420713.db2.gz PKEWRGQQPACHBJ-UHFFFAOYSA-N 1 2 225.292 1.116 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209410557 957421512 /nfs/dbraw/zinc/42/15/12/957421512.db2.gz KNWZBKQQPIVDII-OPRDCNLKSA-N 1 2 219.275 1.734 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209410557 957421520 /nfs/dbraw/zinc/42/15/20/957421520.db2.gz KNWZBKQQPIVDII-OPRDCNLKSA-N 1 2 219.275 1.734 20 0 BDADLO O=C([O-])[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000050510753 957493732 /nfs/dbraw/zinc/49/37/32/957493732.db2.gz JPRDQFJZRSTHQT-GFCCVEGCSA-N 1 2 245.282 1.299 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3OCC[C@@H]3C2)nc[nH+]1 ZINC001167211572 957546595 /nfs/dbraw/zinc/54/65/95/957546595.db2.gz CTSFYBNZUWOBMW-GHMZBOCLSA-N 1 2 248.330 1.158 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3OCC[C@@H]3C2)[nH+]cn1 ZINC001167211572 957546602 /nfs/dbraw/zinc/54/66/02/957546602.db2.gz CTSFYBNZUWOBMW-GHMZBOCLSA-N 1 2 248.330 1.158 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001167221833 957555066 /nfs/dbraw/zinc/55/50/66/957555066.db2.gz JIRLDIJEJDPOQU-PSVAKVPMSA-N 1 2 241.697 1.969 20 0 BDADLO CN1C[C@@H](Nc2ccn3cc[nH+]c3c2)CCC1=O ZINC001167241911 957573355 /nfs/dbraw/zinc/57/33/55/957573355.db2.gz APDHGXBYXCPLML-NSHDSACASA-N 1 2 244.298 1.367 20 0 BDADLO Fc1c[nH]c2nc[nH+]c(NCc3cncnc3)c12 ZINC001167252936 957591123 /nfs/dbraw/zinc/59/11/23/957591123.db2.gz CYKSUMLZBDTXBK-UHFFFAOYSA-N 1 2 244.233 1.451 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cccc3c2OCC3)n1 ZINC000693094533 957667660 /nfs/dbraw/zinc/66/76/60/957667660.db2.gz ZYABZRWBPOIEPP-UHFFFAOYSA-N 1 2 229.283 1.634 20 0 BDADLO C[C@@H](OCC[NH+]1CCOCC1)C1CCC1 ZINC001210206660 957671057 /nfs/dbraw/zinc/67/10/57/957671057.db2.gz IEBYOMKLQWAXBY-LLVKDONJSA-N 1 2 213.321 1.524 20 0 BDADLO c1ncc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)[nH]1 ZINC001136865940 972283612 /nfs/dbraw/zinc/28/36/12/972283612.db2.gz DFDXQUVDFOLUEN-KOLCDFICSA-N 1 2 207.277 1.021 20 0 BDADLO c1ncc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)[nH]1 ZINC001136865940 972283614 /nfs/dbraw/zinc/28/36/14/972283614.db2.gz DFDXQUVDFOLUEN-KOLCDFICSA-N 1 2 207.277 1.021 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001136874902 972284264 /nfs/dbraw/zinc/28/42/64/972284264.db2.gz ISNPRBNGJRTXMN-ZDUSSCGKSA-N 1 2 243.310 1.845 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001136874902 972284267 /nfs/dbraw/zinc/28/42/67/972284267.db2.gz ISNPRBNGJRTXMN-ZDUSSCGKSA-N 1 2 243.310 1.845 20 0 BDADLO Cc1[nH+]cc(Nc2cnc(N(C)C)nc2)cc1N ZINC001210286908 957713885 /nfs/dbraw/zinc/71/38/85/957713885.db2.gz GIRQWVQIOHHJSU-UHFFFAOYSA-N 1 2 244.302 1.572 20 0 BDADLO Cn1c[nH+]c2ccc(NC3CC(=O)C3)cc21 ZINC001167341338 957799766 /nfs/dbraw/zinc/79/97/66/957799766.db2.gz SYFDDWWJHJOKAM-UHFFFAOYSA-N 1 2 215.256 1.717 20 0 BDADLO Cc1ccn2c(C[NH+]3CC4(COC4)C3)cnc2c1 ZINC001136885150 972294758 /nfs/dbraw/zinc/29/47/58/972294758.db2.gz HXHXNZXCJSQSIX-UHFFFAOYSA-N 1 2 243.310 1.475 20 0 BDADLO Cc1nc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)co1 ZINC001136893323 972294910 /nfs/dbraw/zinc/29/49/10/972294910.db2.gz SDXAJXKIBFJJNM-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207073912 957921092 /nfs/dbraw/zinc/92/10/92/957921092.db2.gz NODFFZRUKNNRSY-GFCCVEGCSA-N 1 2 234.299 1.731 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207073912 957921101 /nfs/dbraw/zinc/92/11/01/957921101.db2.gz NODFFZRUKNNRSY-GFCCVEGCSA-N 1 2 234.299 1.731 20 0 BDADLO Cc1cc(C[NH+]2CCN(CCF)CC2)oc1C ZINC001204532193 957927068 /nfs/dbraw/zinc/92/70/68/957927068.db2.gz AFSCBOCGFGFWOY-UHFFFAOYSA-N 1 2 240.322 1.984 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000299891181 957970027 /nfs/dbraw/zinc/97/00/27/957970027.db2.gz JHFGTVUZWJFPJQ-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000299891181 957970036 /nfs/dbraw/zinc/97/00/36/957970036.db2.gz JHFGTVUZWJFPJQ-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO CNc1ccc(N[C@@](C)(C(N)=O)C(C)C)c[nH+]1 ZINC001167415616 958046063 /nfs/dbraw/zinc/04/60/63/958046063.db2.gz WCOUJQLYPFDHJW-GFCCVEGCSA-N 1 2 236.319 1.435 20 0 BDADLO O=c1cc(C[N@@H+]2CCC(F)(F)[C@H](F)C2)cc[nH]1 ZINC001207118355 958064697 /nfs/dbraw/zinc/06/46/97/958064697.db2.gz AOYXKNAWMLCCNA-SECBINFHSA-N 1 2 246.232 1.966 20 0 BDADLO O=c1cc(C[N@H+]2CCC(F)(F)[C@H](F)C2)cc[nH]1 ZINC001207118355 958064705 /nfs/dbraw/zinc/06/47/05/958064705.db2.gz AOYXKNAWMLCCNA-SECBINFHSA-N 1 2 246.232 1.966 20 0 BDADLO CC(=O)N1CC(Nc2ccc3[nH+]cn(C)c3c2)C1 ZINC001171078060 972322514 /nfs/dbraw/zinc/32/25/14/972322514.db2.gz QGUFKFACEGONJX-UHFFFAOYSA-N 1 2 244.298 1.216 20 0 BDADLO C[NH+]1CCN(Cc2ncc(C(F)(F)F)[nH]2)CC1 ZINC001137010358 972324540 /nfs/dbraw/zinc/32/45/40/972324540.db2.gz OPQYVUHUHRFVTR-UHFFFAOYSA-N 1 2 248.252 1.176 20 0 BDADLO COc1ncc(C[N@H+](C)CCF)cc1C ZINC001137010399 972325122 /nfs/dbraw/zinc/32/51/22/972325122.db2.gz PZZSLCWYYAVQQR-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO COc1ncc(C[N@@H+](C)CCF)cc1C ZINC001137010399 972325130 /nfs/dbraw/zinc/32/51/30/972325130.db2.gz PZZSLCWYYAVQQR-UHFFFAOYSA-N 1 2 212.268 1.800 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(CC)nc2C)CCO1 ZINC000891562334 958465829 /nfs/dbraw/zinc/46/58/29/958465829.db2.gz MDTDUJDKMCHDPA-CYBMUJFWSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(CC)nc2C)CCO1 ZINC000891562334 958465836 /nfs/dbraw/zinc/46/58/36/958465836.db2.gz MDTDUJDKMCHDPA-CYBMUJFWSA-N 1 2 237.347 1.822 20 0 BDADLO CC(C)OCCCc1nnc(C[NH+](C)C)o1 ZINC001327000406 972359042 /nfs/dbraw/zinc/35/90/42/972359042.db2.gz JERRGRQSQKUBPL-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO C[C@H]1CC[C@@H](COCCn2cc[nH+]c2)O1 ZINC001222129675 972372647 /nfs/dbraw/zinc/37/26/47/972372647.db2.gz RUROBJRUEUTPRO-QWRGUYRKSA-N 1 2 210.277 1.467 20 0 BDADLO Cc1nn(C)cc1[C@H](C)OCCn1cc[nH+]c1 ZINC001222130087 972380536 /nfs/dbraw/zinc/38/05/36/972380536.db2.gz XQIFCJNLHJBZTN-NSHDSACASA-N 1 2 234.303 1.703 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)c(C)n1 ZINC000087152353 959015163 /nfs/dbraw/zinc/01/51/63/959015163.db2.gz HJULJEFELQABHV-SNVBAGLBSA-N 1 2 237.328 1.299 20 0 BDADLO Cc1cc[n+]([O-])c(NCc2cc[nH+]c(N)c2)c1 ZINC001167613483 959061884 /nfs/dbraw/zinc/06/18/84/959061884.db2.gz KVMOHMDWWSCUDE-UHFFFAOYSA-N 1 2 230.271 1.218 20 0 BDADLO Nc1cc(CNc2nc(Cl)ccc2N)cc[nH+]1 ZINC001167617052 959083558 /nfs/dbraw/zinc/08/35/58/959083558.db2.gz FPGPZFMYWRUHTG-UHFFFAOYSA-N 1 2 249.705 1.907 20 0 BDADLO C=Cc1ncc(NCc2cc[nH+]c(N)c2)cn1 ZINC001167618215 959089899 /nfs/dbraw/zinc/08/98/99/959089899.db2.gz FXZYASOFMWUJNG-UHFFFAOYSA-N 1 2 227.271 1.709 20 0 BDADLO CC(=O)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167627224 959121111 /nfs/dbraw/zinc/12/11/11/959121111.db2.gz HNUIUEKGCWQAMZ-UHFFFAOYSA-N 1 2 230.271 1.327 20 0 BDADLO CCN(CC1CC1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724707690 959223025 /nfs/dbraw/zinc/22/30/25/959223025.db2.gz GUNOMOPYMXIBPQ-MRVPVSSYSA-N 1 2 220.263 1.227 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2csc(Cl)c2)C1 ZINC000399934702 959212073 /nfs/dbraw/zinc/21/20/73/959212073.db2.gz YUFBUCBWNMTDBA-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2csc(Cl)c2)C1 ZINC000399934702 959212080 /nfs/dbraw/zinc/21/20/80/959212080.db2.gz YUFBUCBWNMTDBA-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO CCN(CC1CC1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724707691 959226934 /nfs/dbraw/zinc/22/69/34/959226934.db2.gz GUNOMOPYMXIBPQ-QMMMGPOBSA-N 1 2 220.263 1.227 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCCc3n[nH]cc32)nn1 ZINC000404419889 959254222 /nfs/dbraw/zinc/25/42/22/959254222.db2.gz BAOWCOHLQYFSCU-LLVKDONJSA-N 1 2 246.318 1.188 20 0 BDADLO [NH3+][C@@H](CC(=O)N(CC1CC1)CC1CC1)C(F)F ZINC000724741897 959357227 /nfs/dbraw/zinc/35/72/27/959357227.db2.gz BEUHPHZRVQJDFF-JTQLQIEISA-N 1 2 246.301 1.618 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)c(C)n1 ZINC000724767277 959422631 /nfs/dbraw/zinc/42/26/31/959422631.db2.gz RMAZUGQTVJUITO-MRVPVSSYSA-N 1 2 243.257 1.619 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)CCO)C(=O)OC ZINC000300010929 959629884 /nfs/dbraw/zinc/62/98/84/959629884.db2.gz UVTODZMOFULSSH-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO C/C=C/C=C/C(=O)N1CCc2[nH+]ccn2CC1 ZINC001143997201 972467918 /nfs/dbraw/zinc/46/79/18/972467918.db2.gz GYRLHMADRBTKEI-MQQKCMAXSA-N 1 2 231.299 1.400 20 0 BDADLO CCCC(=O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001144030400 972472814 /nfs/dbraw/zinc/47/28/14/972472814.db2.gz VZJRYYDJTWANRO-UHFFFAOYSA-N 1 2 232.283 1.300 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1ncccn1 ZINC001327166013 972474614 /nfs/dbraw/zinc/47/46/14/972474614.db2.gz CKOWOWIWLCJWRT-UHFFFAOYSA-N 1 2 245.286 1.116 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cnco2)CCC1(F)F ZINC001140927210 960086926 /nfs/dbraw/zinc/08/69/26/960086926.db2.gz JHLCNSJWOWDKHB-QMMMGPOBSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cnco2)CCC1(F)F ZINC001140927210 960086938 /nfs/dbraw/zinc/08/69/38/960086938.db2.gz JHLCNSJWOWDKHB-QMMMGPOBSA-N 1 2 232.230 1.124 20 0 BDADLO c1ncc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC001140927036 960088930 /nfs/dbraw/zinc/08/89/30/960088930.db2.gz DKAFQNRKZHNRNY-UHFFFAOYSA-N 1 2 243.310 1.997 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H](C)O1 ZINC000588551570 960090812 /nfs/dbraw/zinc/09/08/12/960090812.db2.gz VFHJSTOWGOBVDI-QKMQQOOLSA-N 1 2 219.712 1.475 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H](C)O1 ZINC000588551570 960090821 /nfs/dbraw/zinc/09/08/21/960090821.db2.gz VFHJSTOWGOBVDI-QKMQQOOLSA-N 1 2 219.712 1.475 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000708939384 960140189 /nfs/dbraw/zinc/14/01/89/960140189.db2.gz DNJZKPHGLMZYQP-ZDUSSCGKSA-N 1 2 249.358 1.980 20 0 BDADLO CNc1ncccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000708939384 960140193 /nfs/dbraw/zinc/14/01/93/960140193.db2.gz DNJZKPHGLMZYQP-ZDUSSCGKSA-N 1 2 249.358 1.980 20 0 BDADLO COCc1noc2c1C[N@H+](Cc1cc[nH]c1)CC2 ZINC001140705613 960510189 /nfs/dbraw/zinc/51/01/89/960510189.db2.gz RXTBNJKZTSBBEK-UHFFFAOYSA-N 1 2 247.298 1.707 20 0 BDADLO COCc1noc2c1C[N@@H+](Cc1cc[nH]c1)CC2 ZINC001140705613 960510209 /nfs/dbraw/zinc/51/02/09/960510209.db2.gz RXTBNJKZTSBBEK-UHFFFAOYSA-N 1 2 247.298 1.707 20 0 BDADLO C[N@H+](CCF)Cc1c[nH]c2ccncc12 ZINC001140806219 960608034 /nfs/dbraw/zinc/60/80/34/960608034.db2.gz DRZBJFVSNGCQMD-UHFFFAOYSA-N 1 2 207.252 1.964 20 0 BDADLO C[N@@H+](CCF)Cc1c[nH]c2ccncc12 ZINC001140806219 960608039 /nfs/dbraw/zinc/60/80/39/960608039.db2.gz DRZBJFVSNGCQMD-UHFFFAOYSA-N 1 2 207.252 1.964 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cnccc3C2)n[nH]1 ZINC001203070114 960610204 /nfs/dbraw/zinc/61/02/04/960610204.db2.gz HRWYGMZDKTVZEQ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cnccc3C2)n[nH]1 ZINC001203070114 960610216 /nfs/dbraw/zinc/61/02/16/960610216.db2.gz HRWYGMZDKTVZEQ-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO COc1ccc(C[NH+]2CC3(CCO3)C2)cc1N ZINC001140898919 960680781 /nfs/dbraw/zinc/68/07/81/960680781.db2.gz FGJCUAXCZOIYBS-UHFFFAOYSA-N 1 2 234.299 1.252 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@](C)(O)C2)n[nH]1 ZINC001203077443 960685644 /nfs/dbraw/zinc/68/56/44/960685644.db2.gz YHMUKYLGRJIJNL-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@](C)(O)C2)n[nH]1 ZINC001203077443 960685655 /nfs/dbraw/zinc/68/56/55/960685655.db2.gz YHMUKYLGRJIJNL-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3cnco3)C2)C1 ZINC001140934276 960715279 /nfs/dbraw/zinc/71/52/79/960715279.db2.gz YYHLDLCMSZNCFS-QMMMGPOBSA-N 1 2 228.292 1.704 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001140935337 960727467 /nfs/dbraw/zinc/72/74/67/960727467.db2.gz PBEKKKSBOQFMCJ-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccnc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001140935337 960727482 /nfs/dbraw/zinc/72/74/82/960727482.db2.gz PBEKKKSBOQFMCJ-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]23CCOC3)n[nH]1 ZINC001203081610 960740877 /nfs/dbraw/zinc/74/08/77/960740877.db2.gz DASRAKARMHMQBZ-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]23CCOC3)n[nH]1 ZINC001203081610 960740897 /nfs/dbraw/zinc/74/08/97/960740897.db2.gz DASRAKARMHMQBZ-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO COCC1C[NH+](Cc2cc(F)c(O)c(F)c2)C1 ZINC001140988096 960782295 /nfs/dbraw/zinc/78/22/95/960782295.db2.gz NGTBHDNFVNOXMS-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO CC1(C)C[N@@H+](Cc2csnn2)[C@](C)(CO)C1 ZINC001140992692 960784052 /nfs/dbraw/zinc/78/40/52/960784052.db2.gz RAQKPBKLUYSOAA-NSHDSACASA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[N@H+](Cc2csnn2)[C@](C)(CO)C1 ZINC001140992692 960784034 /nfs/dbraw/zinc/78/40/34/960784034.db2.gz RAQKPBKLUYSOAA-NSHDSACASA-N 1 2 241.360 1.521 20 0 BDADLO COCC[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC001140995877 960793363 /nfs/dbraw/zinc/79/33/63/960793363.db2.gz LDYDABASRIDDHS-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO COCC[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC001140995877 960793395 /nfs/dbraw/zinc/79/33/95/960793395.db2.gz LDYDABASRIDDHS-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)CCCC1=O ZINC001203086235 960803785 /nfs/dbraw/zinc/80/37/85/960803785.db2.gz OXZVWSRGFFPRGP-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCCC1=O ZINC001203086235 960803786 /nfs/dbraw/zinc/80/37/86/960803786.db2.gz OXZVWSRGFFPRGP-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1ccncc1C[NH+]1CCN(CCF)CC1 ZINC001141035150 960823443 /nfs/dbraw/zinc/82/34/43/960823443.db2.gz IVDXCWSDPGHPGE-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO COC(=O)[C@@H]1CCN1Cc1ccn2cc[nH+]c2c1 ZINC001141047740 960833010 /nfs/dbraw/zinc/83/30/10/960833010.db2.gz QVEPLIBBHCAZNU-NSHDSACASA-N 1 2 245.282 1.082 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141045901 960834945 /nfs/dbraw/zinc/83/49/45/960834945.db2.gz DIXVNCYCVQJWTG-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccn2ccnc2c1 ZINC001141045901 960834955 /nfs/dbraw/zinc/83/49/55/960834955.db2.gz DIXVNCYCVQJWTG-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CCCCc1[nH]c(CN(C)CC(C)=O)c[nH+]1 ZINC001141067568 960862966 /nfs/dbraw/zinc/86/29/66/960862966.db2.gz HTMXDAISKDVZBB-UHFFFAOYSA-N 1 2 223.320 1.773 20 0 BDADLO CCCCc1[nH]cc(CN(C)CC(C)=O)[nH+]1 ZINC001141067568 960862967 /nfs/dbraw/zinc/86/29/67/960862967.db2.gz HTMXDAISKDVZBB-UHFFFAOYSA-N 1 2 223.320 1.773 20 0 BDADLO CCCCc1[nH]c(CN2CCO[C@@H](C)C2)c[nH+]1 ZINC001141067611 960864017 /nfs/dbraw/zinc/86/40/17/960864017.db2.gz IXKLFWDTQPIKOD-NSHDSACASA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]cc(CN2CCO[C@@H](C)C2)[nH+]1 ZINC001141067611 960864018 /nfs/dbraw/zinc/86/40/18/960864018.db2.gz IXKLFWDTQPIKOD-NSHDSACASA-N 1 2 237.347 1.973 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)co1 ZINC001141126626 960872969 /nfs/dbraw/zinc/87/29/69/960872969.db2.gz PVMWYHKKVACVGB-ZYHUDNBSSA-N 1 2 222.288 1.676 20 0 BDADLO c1nc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)co1 ZINC001141126626 960872972 /nfs/dbraw/zinc/87/29/72/960872972.db2.gz PVMWYHKKVACVGB-ZYHUDNBSSA-N 1 2 222.288 1.676 20 0 BDADLO CC(C)c1coc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001141145463 960884605 /nfs/dbraw/zinc/88/46/05/960884605.db2.gz PLUPOUVZRIKMHS-UHFFFAOYSA-N 1 2 234.259 1.633 20 0 BDADLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cocn2)C1 ZINC001141133025 960888256 /nfs/dbraw/zinc/88/82/56/960888256.db2.gz VWYIUCDKXPLHDO-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cocn2)C1 ZINC001141133025 960888257 /nfs/dbraw/zinc/88/82/57/960888257.db2.gz VWYIUCDKXPLHDO-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO COCCC(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001481541445 961143910 /nfs/dbraw/zinc/14/39/10/961143910.db2.gz KOFWZWILDSHWFG-UHFFFAOYSA-N 1 2 248.326 1.024 20 0 BDADLO CC1(c2ccnc(NC=[NH2+])c2)OCCO1 ZINC001167865154 961340546 /nfs/dbraw/zinc/34/05/46/961340546.db2.gz SQWLKMHUAZCTMJ-UHFFFAOYSA-N 1 2 207.233 1.320 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccc[nH]2)c[nH+]1 ZINC001142211467 961357130 /nfs/dbraw/zinc/35/71/30/961357130.db2.gz UZKSMFWGEAJOIX-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1nc(N[C@H](C)CNC(=O)[C@H]2C[C@@H]2C)cc[nH+]1 ZINC001098198507 961374156 /nfs/dbraw/zinc/37/41/56/961374156.db2.gz RZSYFGWYWACCBP-NGZCFLSTSA-N 1 2 248.330 1.358 20 0 BDADLO C[NH+]1CC(OCc2noc3ccccc32)C1 ZINC001223608757 961538066 /nfs/dbraw/zinc/53/80/66/961538066.db2.gz WSCPNMFRRGVZMP-UHFFFAOYSA-N 1 2 218.256 1.658 20 0 BDADLO O=C(Nc1cccnc1F)[C@@H]1CC2CC[NH+]1CC2 ZINC001142626954 961540980 /nfs/dbraw/zinc/54/09/80/961540980.db2.gz ZPYZZYPKEATERZ-NSHDSACASA-N 1 2 249.289 1.644 20 0 BDADLO c1nc2c(cccc2C[N@@H+]2CCC23COC3)[nH]1 ZINC001142687233 961620386 /nfs/dbraw/zinc/62/03/86/961620386.db2.gz QBXGSVFVBVELIQ-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO c1nc2c(cccc2C[N@H+]2CCC23COC3)[nH]1 ZINC001142687233 961620398 /nfs/dbraw/zinc/62/03/98/961620398.db2.gz QBXGSVFVBVELIQ-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO NC(=[NH2+])N(C(=O)C(F)(F)F)c1ccccc1F ZINC001142768028 961717656 /nfs/dbraw/zinc/71/76/56/961717656.db2.gz NDLYIBBRLPYVID-UHFFFAOYSA-N 1 2 249.167 1.614 20 0 BDADLO CCC[C@H](CC)C(=O)NC1C[NH+](CC)C1 ZINC001268466589 961845194 /nfs/dbraw/zinc/84/51/94/961845194.db2.gz KXCXELBMINWLRX-JTQLQIEISA-N 1 2 212.337 1.633 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1ccc2[nH+]ccn2c1 ZINC001143026849 961868483 /nfs/dbraw/zinc/86/84/83/961868483.db2.gz GIPAVQZRJVNQDD-SNVBAGLBSA-N 1 2 247.298 1.328 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2cccnc2[nH]1 ZINC001143211593 961948285 /nfs/dbraw/zinc/94/82/85/961948285.db2.gz GPTMJVCFEPEZRE-PWSUYJOCSA-N 1 2 249.289 1.468 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143211593 961948301 /nfs/dbraw/zinc/94/83/01/961948301.db2.gz GPTMJVCFEPEZRE-PWSUYJOCSA-N 1 2 249.289 1.468 20 0 BDADLO Cc1[nH]nc(NC(=O)CCCn2cc[nH+]c2)c1C ZINC000729374083 962187106 /nfs/dbraw/zinc/18/71/06/962187106.db2.gz PCOZAKSSXIRBMN-UHFFFAOYSA-N 1 2 247.302 1.642 20 0 BDADLO CN(C(=O)c1c[nH]c2cc[nH+]cc21)C1COC1 ZINC001152976438 962511194 /nfs/dbraw/zinc/51/11/94/962511194.db2.gz OUIXMXXWLPBVDX-UHFFFAOYSA-N 1 2 231.255 1.034 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001269189387 962514895 /nfs/dbraw/zinc/51/48/95/962514895.db2.gz UDKZCXQANIVWKM-LVCFMKKZSA-N 1 2 216.712 1.339 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001269189387 962514907 /nfs/dbraw/zinc/51/49/07/962514907.db2.gz UDKZCXQANIVWKM-LVCFMKKZSA-N 1 2 216.712 1.339 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCn3ccnc32)cn1 ZINC000711131681 962616450 /nfs/dbraw/zinc/61/64/50/962616450.db2.gz VGKWBNGXDNGQDC-LLVKDONJSA-N 1 2 231.303 1.334 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2c1cccc2F ZINC001153816779 962638866 /nfs/dbraw/zinc/63/88/66/962638866.db2.gz SBFAEDCKFHEUIP-CYBMUJFWSA-N 1 2 248.301 1.809 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2c1cccc2F ZINC001153816779 962638880 /nfs/dbraw/zinc/63/88/80/962638880.db2.gz SBFAEDCKFHEUIP-CYBMUJFWSA-N 1 2 248.301 1.809 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccs1 ZINC001270245865 962914852 /nfs/dbraw/zinc/91/48/52/962914852.db2.gz KMGBWEZRSNUPOE-DTORHVGOSA-N 1 2 222.313 1.277 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccs1 ZINC001270245865 962914868 /nfs/dbraw/zinc/91/48/68/962914868.db2.gz KMGBWEZRSNUPOE-DTORHVGOSA-N 1 2 222.313 1.277 20 0 BDADLO Nc1cc(N2CCC(n3cccn3)CC2)[nH+]cn1 ZINC001155043072 962952556 /nfs/dbraw/zinc/95/25/56/962952556.db2.gz NRDZYVBTKSIMQC-UHFFFAOYSA-N 1 2 244.302 1.097 20 0 BDADLO C[C@H]1SCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894364026 962965450 /nfs/dbraw/zinc/96/54/50/962965450.db2.gz PIFFPLSTTOSIMX-RKDXNWHRSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@H]1SCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894364026 962965454 /nfs/dbraw/zinc/96/54/54/962965454.db2.gz PIFFPLSTTOSIMX-RKDXNWHRSA-N 1 2 238.360 1.849 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000307130130 963122254 /nfs/dbraw/zinc/12/22/54/963122254.db2.gz QVWNWRFWUSZCFV-LLVKDONJSA-N 1 2 207.277 1.353 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000307130130 963122272 /nfs/dbraw/zinc/12/22/72/963122272.db2.gz QVWNWRFWUSZCFV-LLVKDONJSA-N 1 2 207.277 1.353 20 0 BDADLO C[NH+]1CC(Oc2cccc3n[nH]cc32)C1 ZINC001226611869 963262628 /nfs/dbraw/zinc/26/26/28/963262628.db2.gz GOLOPZYFWBNNLZ-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO COc1cc(C)c[nH+]c1NCC1(CO)CCC1 ZINC001156270958 963301949 /nfs/dbraw/zinc/30/19/49/963301949.db2.gz NADSDWCHMMBHTA-UHFFFAOYSA-N 1 2 236.315 1.973 20 0 BDADLO CSc1cc[nH+]c(N[C@H](C)CCO)c1 ZINC001156452347 963357156 /nfs/dbraw/zinc/35/71/56/963357156.db2.gz RXUPXFGSCZXVFK-MRVPVSSYSA-N 1 2 212.318 1.986 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@H]1CCN(C)C1=O ZINC001156507417 963371934 /nfs/dbraw/zinc/37/19/34/963371934.db2.gz RLKRFOUONUXGGV-VIFPVBQESA-N 1 2 223.251 1.172 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cc(C)ncn2)c[nH+]1 ZINC001156538083 963379825 /nfs/dbraw/zinc/37/98/25/963379825.db2.gz JSZFIGPKPDKQOD-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cc(C)ncn2)[nH+]1 ZINC001156538083 963379835 /nfs/dbraw/zinc/37/98/35/963379835.db2.gz JSZFIGPKPDKQOD-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001161700161 963381047 /nfs/dbraw/zinc/38/10/47/963381047.db2.gz KNNBURYDERGGOR-UHFFFAOYSA-N 1 2 201.229 1.638 20 0 BDADLO Nc1cc(CNc2cc(F)ccn2)cc[nH+]1 ZINC001156756211 963452704 /nfs/dbraw/zinc/45/27/04/963452704.db2.gz SIUQNZBDLTWPMT-UHFFFAOYSA-N 1 2 218.235 1.810 20 0 BDADLO CCc1cc(NCc2cc[nH+]c(N)c2)ncn1 ZINC001156761168 963454747 /nfs/dbraw/zinc/45/47/47/963454747.db2.gz PKKMPSRFSWNLRR-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO Nc1cc(CNc2ccc(Cl)c(N)n2)cc[nH+]1 ZINC001156764030 963455230 /nfs/dbraw/zinc/45/52/30/963455230.db2.gz OQTHHYBPFXPBLS-UHFFFAOYSA-N 1 2 249.705 1.907 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(C2CC2)C1 ZINC001204384579 963457635 /nfs/dbraw/zinc/45/76/35/963457635.db2.gz ZOIGZSFZEMPCOW-UHFFFAOYSA-N 1 2 209.268 1.354 20 0 BDADLO [NH2+]=CNc1ccc(N2CCCCC2)nn1 ZINC001157073569 963523169 /nfs/dbraw/zinc/52/31/69/963523169.db2.gz RSHIWMMVNGNZJM-UHFFFAOYSA-N 1 2 205.265 1.486 20 0 BDADLO COC(=O)[C@@H]1CCCN(c2[nH+]cccc2N)[C@@H]1C ZINC001157393488 963595611 /nfs/dbraw/zinc/59/56/11/963595611.db2.gz URYFCTXAZGOCJI-NXEZZACHSA-N 1 2 249.314 1.442 20 0 BDADLO Nc1[nH+]c(N[C@H]2C[C@@H](CO)C2)ccc1Cl ZINC001157462871 963621106 /nfs/dbraw/zinc/62/11/06/963621106.db2.gz GUZUNUZWUXFRCP-KNVOCYPGSA-N 1 2 227.695 1.500 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1cncc(OC)n1 ZINC001157459652 963621372 /nfs/dbraw/zinc/62/13/72/963621372.db2.gz FSWLLDBQCGNZLS-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO Cc1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001157580672 963669927 /nfs/dbraw/zinc/66/99/27/963669927.db2.gz CGSYEGMWFFBAQZ-GFCCVEGCSA-N 1 2 247.342 1.665 20 0 BDADLO Cc1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001157580672 963669930 /nfs/dbraw/zinc/66/99/30/963669930.db2.gz CGSYEGMWFFBAQZ-GFCCVEGCSA-N 1 2 247.342 1.665 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CCO[C@H](C)C1 ZINC001168112831 963754346 /nfs/dbraw/zinc/75/43/46/963754346.db2.gz DMLJRBUBWVCPNX-ZNSHCXBVSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CCO[C@H](C)C1 ZINC001168112831 963754357 /nfs/dbraw/zinc/75/43/57/963754357.db2.gz DMLJRBUBWVCPNX-ZNSHCXBVSA-N 1 2 245.294 1.139 20 0 BDADLO Cc1[nH]c2ccc(O[C@@H]3COC(=O)C3)cc2[nH+]1 ZINC001228327083 963758598 /nfs/dbraw/zinc/75/85/98/963758598.db2.gz NLQLIYUCNHMVOJ-VIFPVBQESA-N 1 2 232.239 1.566 20 0 BDADLO COc1c[nH+]c(NC[C@@H]2CC(=O)N(C)C2)c(C)c1 ZINC001157905942 963760913 /nfs/dbraw/zinc/76/09/13/963760913.db2.gz ZIOZCHTUROSKTM-JTQLQIEISA-N 1 2 249.314 1.289 20 0 BDADLO COc1ncccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000053747425 963825221 /nfs/dbraw/zinc/82/52/21/963825221.db2.gz HGPJBGJGGKEZDU-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO CCOc1ccc[nH+]c1NCC1OCCO1 ZINC001158203431 963831195 /nfs/dbraw/zinc/83/11/95/963831195.db2.gz MKTBURGGSHYYRI-UHFFFAOYSA-N 1 2 224.260 1.265 20 0 BDADLO CC(C)c1ccc(N[C@H]2COC(=O)C2)[nH+]c1 ZINC001158243978 963837677 /nfs/dbraw/zinc/83/76/77/963837677.db2.gz GJXWYOISWHFTPO-SNVBAGLBSA-N 1 2 220.272 1.932 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C)c(C)cn2)C[NH2+]1 ZINC001158256153 963840087 /nfs/dbraw/zinc/84/00/87/963840087.db2.gz GWCMLTJNEBWSOW-MNOVXSKESA-N 1 2 249.314 1.014 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccoc2C)[nH]1 ZINC000320956638 963859685 /nfs/dbraw/zinc/85/96/85/963859685.db2.gz DWXCHUKPSYJSSW-SSDOTTSWSA-N 1 2 220.276 1.865 20 0 BDADLO Cc1c(F)cc[nH+]c1N(C)[C@H]1CCOC1 ZINC001158575229 963890540 /nfs/dbraw/zinc/89/05/40/963890540.db2.gz UBFOVZBSXBQGDP-VIFPVBQESA-N 1 2 210.252 1.754 20 0 BDADLO COc1c[nH+]c(NC[C@H](C)OC)c(C)c1 ZINC001158806865 963926880 /nfs/dbraw/zinc/92/68/80/963926880.db2.gz CVWXGGJNPQHBHI-VIFPVBQESA-N 1 2 210.277 1.845 20 0 BDADLO CCCOC1CN(Cc2c[nH+]cn2C)C1 ZINC001204387392 963954888 /nfs/dbraw/zinc/95/48/88/963954888.db2.gz FVCDXNWVVXDVGR-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Nc1ccc(N2C[C@@H]3CCCC(=O)[C@@H]3C2)[nH+]c1 ZINC001158999793 963974294 /nfs/dbraw/zinc/97/42/94/963974294.db2.gz MQSUUQWIMGRYMY-GXSJLCMTSA-N 1 2 231.299 1.469 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C2(C)CC2)CCO1 ZINC000800182129 964054264 /nfs/dbraw/zinc/05/42/64/964054264.db2.gz AEDHXIFNICYEOG-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C2(C)CC2)CCO1 ZINC000800182129 964054276 /nfs/dbraw/zinc/05/42/76/964054276.db2.gz AEDHXIFNICYEOG-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO CS(=O)(=O)[C@H]1C[C@@H](Nc2cccc[nH+]2)C1 ZINC001168246402 964057982 /nfs/dbraw/zinc/05/79/82/964057982.db2.gz JPWICPBWYNXBKT-DTORHVGOSA-N 1 2 226.301 1.069 20 0 BDADLO Cc1ncccc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095682 964258917 /nfs/dbraw/zinc/25/89/17/964258917.db2.gz UGVYCHJCQDZTJL-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO Cc1nc(C[NH2+]C/C=C/CNC(=O)C2CC2)co1 ZINC001482975001 964261969 /nfs/dbraw/zinc/26/19/69/964261969.db2.gz UBMNPUOGESUZMX-NSCUHMNNSA-N 1 2 249.314 1.155 20 0 BDADLO C=Cc1ccc(N[C@@H](CCC[NH3+])C(=O)[O-])[nH+]c1 ZINC001160597002 964344118 /nfs/dbraw/zinc/34/41/18/964344118.db2.gz CCAVHSASDRASPF-JTQLQIEISA-N 1 2 235.287 1.329 20 0 BDADLO Nc1cn[nH]c(=O)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213028176 964466312 /nfs/dbraw/zinc/46/63/12/964466312.db2.gz JEXRVJHVGGKYGU-UHFFFAOYSA-N 1 2 242.242 1.384 20 0 BDADLO O=c1cc(Nc2cccc3[nH+]c[nH]c32)cn[nH]1 ZINC001213028397 964487561 /nfs/dbraw/zinc/48/75/61/964487561.db2.gz OFASENCKFJLVMN-UHFFFAOYSA-N 1 2 227.227 1.802 20 0 BDADLO CC[C@@H](Nc1cc(N)nc[nH+]1)C(F)(F)F ZINC001161375430 964587799 /nfs/dbraw/zinc/58/77/99/964587799.db2.gz IYNZXLQIINEKPY-RXMQYKEDSA-N 1 2 220.198 1.812 20 0 BDADLO COc1cnc(NCCCn2cc[nH+]c2)nc1C ZINC001161681201 964683193 /nfs/dbraw/zinc/68/31/93/964683193.db2.gz JVQACNHAKYKEDV-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO Cc1cc(NCCCn2cc[nH+]c2)c(=O)n(C)c1 ZINC001161689132 964688764 /nfs/dbraw/zinc/68/87/64/964688764.db2.gz IMZNSMYYJMPQFU-UHFFFAOYSA-N 1 2 246.314 1.392 20 0 BDADLO CNc1ccc(N[C@@H](CO)C(C)C)c[nH+]1 ZINC001161740675 964725774 /nfs/dbraw/zinc/72/57/74/964725774.db2.gz PKPCCNVWGMUEDD-JTQLQIEISA-N 1 2 209.293 1.552 20 0 BDADLO CC(C)Cn1cnc(CNc2cc(N)nc[nH+]2)c1 ZINC001161798004 964762011 /nfs/dbraw/zinc/76/20/11/964762011.db2.gz NNJBMPMFZYZRAH-UHFFFAOYSA-N 1 2 246.318 1.523 20 0 BDADLO Cc1cc2cc(NCC(=O)NC3CC3)[nH+]cc2[nH]1 ZINC001161892734 964810588 /nfs/dbraw/zinc/81/05/88/964810588.db2.gz YLMLUGSDVUJTCX-UHFFFAOYSA-N 1 2 244.298 1.562 20 0 BDADLO O=C(CNc1ccn2cc[nH+]c2c1)NC1CC1 ZINC001161893883 964810776 /nfs/dbraw/zinc/81/07/76/964810776.db2.gz OTRNKCJSHMZNOD-UHFFFAOYSA-N 1 2 230.271 1.025 20 0 BDADLO Cn1ccnc1CNc1ccc2c([nH+]1)CCOC2 ZINC001161909994 964816307 /nfs/dbraw/zinc/81/63/07/964816307.db2.gz HOVIZGUQYWVYBM-UHFFFAOYSA-N 1 2 244.298 1.500 20 0 BDADLO Cc1c[nH+]cc(NCc2ncon2)c1C ZINC001162282759 964909391 /nfs/dbraw/zinc/90/93/91/964909391.db2.gz QWBGGDIHLAOZBC-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO O=C1C[C@@H](CNc2c[nH+]c3c(c2)CCC3)CCN1 ZINC001162332230 964935340 /nfs/dbraw/zinc/93/53/40/964935340.db2.gz FFKFLWDCHSHONP-JTQLQIEISA-N 1 2 245.326 1.508 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCOC[C@@H]2F)c1 ZINC001162344426 964940292 /nfs/dbraw/zinc/94/02/92/964940292.db2.gz OWXQSGDZUUEUNI-WDEREUQCSA-N 1 2 240.278 1.767 20 0 BDADLO CC[C@H](CNC(=O)C1CC1)Nc1cc[nH+]c(C)n1 ZINC001102969810 964943686 /nfs/dbraw/zinc/94/36/86/964943686.db2.gz AAOHVFGRYHYMQX-LLVKDONJSA-N 1 2 248.330 1.502 20 0 BDADLO CC(C)C[C@H](CO)Nc1ccn2cc(N)[nH+]c2c1 ZINC001162368791 964945710 /nfs/dbraw/zinc/94/57/10/964945710.db2.gz POGROVFTEIUQCY-LLVKDONJSA-N 1 2 248.330 1.735 20 0 BDADLO CCOc1ccc[nH+]c1N[C@@H]1CCCNC(=O)C1 ZINC001162453767 964984437 /nfs/dbraw/zinc/98/44/37/964984437.db2.gz IVMPGRNIZBJMND-SNVBAGLBSA-N 1 2 249.314 1.561 20 0 BDADLO CCOc1ccc[nH+]c1N[C@H]1CCCNC(=O)C1 ZINC001162453765 964985192 /nfs/dbraw/zinc/98/51/92/964985192.db2.gz IVMPGRNIZBJMND-JTQLQIEISA-N 1 2 249.314 1.561 20 0 BDADLO Cc1c[nH+]c(Nc2cc(C)c(=O)n(C)c2)c(N)c1 ZINC001162512415 965006540 /nfs/dbraw/zinc/00/65/40/965006540.db2.gz KJOHLVHYKGCMPT-UHFFFAOYSA-N 1 2 244.298 1.723 20 0 BDADLO Cc1ccc2cc(NC3(C(N)=O)CC3)[nH+]cc2c1 ZINC001162543333 965033121 /nfs/dbraw/zinc/03/31/21/965033121.db2.gz JNJFUOBXEIBJIG-UHFFFAOYSA-N 1 2 241.294 1.973 20 0 BDADLO Cc1cc2cc(NC3(C(N)=O)CC3)[nH+]cc2[nH]1 ZINC001162544551 965037485 /nfs/dbraw/zinc/03/74/85/965037485.db2.gz ZDDOEEPWGLAABA-UHFFFAOYSA-N 1 2 230.271 1.301 20 0 BDADLO C[Si](C)(C)c1ccc[nH+]c1NC1(C(N)=O)CC1 ZINC001162544339 965037882 /nfs/dbraw/zinc/03/78/82/965037882.db2.gz ZYIJAJYCUAEAMI-UHFFFAOYSA-N 1 2 249.390 1.057 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H](O)c1ccccc1 ZINC000059219610 965245162 /nfs/dbraw/zinc/24/51/62/965245162.db2.gz PBSPIPJQUGNFJM-GFCCVEGCSA-N 1 2 246.266 1.160 20 0 BDADLO Fc1ccc(NCc2ccc3[nH+]ccn3c2)nn1 ZINC001163139755 965262545 /nfs/dbraw/zinc/26/25/45/965262545.db2.gz WKUAZOBNPKRMMC-UHFFFAOYSA-N 1 2 243.245 1.876 20 0 BDADLO Nc1cc(N[C@H]2CCc3c2cccc3O)[nH+]cn1 ZINC001163194553 965296629 /nfs/dbraw/zinc/29/66/29/965296629.db2.gz FEQMUJXXEFNOAV-JTQLQIEISA-N 1 2 242.282 1.864 20 0 BDADLO CCc1nccnc1N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001163509208 965422035 /nfs/dbraw/zinc/42/20/35/965422035.db2.gz AWTLJFBVLSPPOK-UHFFFAOYSA-N 1 2 245.290 1.102 20 0 BDADLO CCc1nccc(N(C(N)=[NH2+])c2cc(C)[nH]n2)n1 ZINC001163509460 965422106 /nfs/dbraw/zinc/42/21/06/965422106.db2.gz JSVUGUWZSBBJIQ-UHFFFAOYSA-N 1 2 245.290 1.102 20 0 BDADLO Nc1cc(N2CC[C@@H]([C@@H]3CCCO3)C2)[nH+]cn1 ZINC001120959316 965461899 /nfs/dbraw/zinc/46/18/99/965461899.db2.gz IBJBXHVLACYQFS-ZJUUUORDSA-N 1 2 234.303 1.064 20 0 BDADLO CCC1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000698701035 965472681 /nfs/dbraw/zinc/47/26/81/965472681.db2.gz WOJLEOCTGWXRLZ-UHFFFAOYSA-N 1 2 211.696 1.972 20 0 BDADLO CC[NH+](CC)Cc1nc2ccccn2n1 ZINC001233067265 965473499 /nfs/dbraw/zinc/47/34/99/965473499.db2.gz GITBVHVSWRECJA-UHFFFAOYSA-N 1 2 204.277 1.571 20 0 BDADLO C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC001205076910 965497214 /nfs/dbraw/zinc/49/72/14/965497214.db2.gz ZEZZTOWZHOCETP-GWCFXTLKSA-N 1 2 244.342 1.875 20 0 BDADLO CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001089189917 965506230 /nfs/dbraw/zinc/50/62/30/965506230.db2.gz GHCFYKOJCMTJIQ-IUCAKERBSA-N 1 2 236.319 1.500 20 0 BDADLO Cc1ccc(N2CC(N3CC(F)C3)C2)[nH+]c1C ZINC001163755579 965569915 /nfs/dbraw/zinc/56/99/15/965569915.db2.gz PAHZNAAFECMZPY-UHFFFAOYSA-N 1 2 235.306 1.541 20 0 BDADLO Nc1ccc(N2CC(F)(F)CC[C@@H]2CO)[nH+]c1 ZINC001164025610 965703098 /nfs/dbraw/zinc/70/30/98/965703098.db2.gz KLZCVZUPALSHFY-SECBINFHSA-N 1 2 243.257 1.260 20 0 BDADLO CSc1cc[nH+]c(N2C[C@@H](O)[C@@H](F)C2)c1 ZINC001164105589 965736838 /nfs/dbraw/zinc/73/68/38/965736838.db2.gz LHUAICFWYSQWDY-DTWKUNHWSA-N 1 2 228.292 1.323 20 0 BDADLO CC1(C)C[C@@H](CNc2cc[nH+]cc2F)O1 ZINC001168452718 965752296 /nfs/dbraw/zinc/75/22/96/965752296.db2.gz KLOIAAATQWVSBG-QMMMGPOBSA-N 1 2 210.252 1.622 20 0 BDADLO COc1cc(C)c[nH+]c1N1C[C@@H](C)C[C@H]1CO ZINC001164153055 965763254 /nfs/dbraw/zinc/76/32/54/965763254.db2.gz XBUAYOHCKOMSHV-QWRGUYRKSA-N 1 2 236.315 1.606 20 0 BDADLO Cn1c[nH+]c2ccc(NC[C@@H]3CCC(=O)N3)cc21 ZINC001164166695 965770981 /nfs/dbraw/zinc/77/09/81/965770981.db2.gz JBBDXQRCXUTVAS-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO C[C@@H]1CCN(c2cc(N)nc[nH+]2)C[C@H]1F ZINC001164178368 965779950 /nfs/dbraw/zinc/77/99/50/965779950.db2.gz ZPJKVVMDGYKQID-HTQZYQBOSA-N 1 2 210.256 1.243 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001164285448 965828233 /nfs/dbraw/zinc/82/82/33/965828233.db2.gz CLMILMVGTMQQCQ-CMPLNLGQSA-N 1 2 242.269 1.828 20 0 BDADLO OCC1(CNc2ccn3cc[nH+]c3c2)CCC1 ZINC001164363629 965858752 /nfs/dbraw/zinc/85/87/52/965858752.db2.gz CTGSOUKQSZEGBK-UHFFFAOYSA-N 1 2 231.299 1.909 20 0 BDADLO Cc1cc[nH+]cc1NCCCc1c[nH][nH]c1=O ZINC001164375186 965864996 /nfs/dbraw/zinc/86/49/96/965864996.db2.gz RJXBLXRIATUFBB-JTQLQIEISA-N 1 2 232.287 1.314 20 0 BDADLO Cc1cc(NCCCc2c[nH][nH]c2=O)c[nH+]c1C ZINC001164376206 965865877 /nfs/dbraw/zinc/86/58/77/965865877.db2.gz ZBNUBIRGYCQCPY-LLVKDONJSA-N 1 2 246.314 1.622 20 0 BDADLO Cc1ccnc(N2CC[NH2+]CC(F)(F)C2)c1F ZINC001164492659 965894806 /nfs/dbraw/zinc/89/48/06/965894806.db2.gz DBJXSLKLGCAWPQ-UHFFFAOYSA-N 1 2 245.248 1.574 20 0 BDADLO Cc1ccc(N2CC[NH2+]CC(F)(F)C2)nc1C ZINC001164492653 965894816 /nfs/dbraw/zinc/89/48/16/965894816.db2.gz CKEPDNOHRGYVMZ-UHFFFAOYSA-N 1 2 241.285 1.743 20 0 BDADLO CCc1ccc(N2CC[NH2+]CC(F)(F)C2)nn1 ZINC001164498631 965895519 /nfs/dbraw/zinc/89/55/19/965895519.db2.gz VZWIAQOSKPFRFN-UHFFFAOYSA-N 1 2 242.273 1.084 20 0 BDADLO Cc1cc(F)cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488576 965895979 /nfs/dbraw/zinc/89/59/79/965895979.db2.gz HHYPVNQVEHQSAP-UHFFFAOYSA-N 1 2 245.248 1.574 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001031181810 965926561 /nfs/dbraw/zinc/92/65/61/965926561.db2.gz SKFBQWDVUYYLTN-GXTWGEPZSA-N 1 2 238.375 1.879 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC(C)(F)C1 ZINC001164585753 965930201 /nfs/dbraw/zinc/93/02/01/965930201.db2.gz GJFHDPVWNCZYQZ-UHFFFAOYSA-N 1 2 210.252 1.947 20 0 BDADLO FCCN1CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001165104577 965961114 /nfs/dbraw/zinc/96/11/14/965961114.db2.gz QBVYMYSICCRDDI-UHFFFAOYSA-N 1 2 249.333 1.662 20 0 BDADLO Nc1cc(N2CCC3(C[C@@H]3CCO)CC2)[nH+]cn1 ZINC001165260033 966011055 /nfs/dbraw/zinc/01/10/55/966011055.db2.gz GPUSKLGIQJSONG-JTQLQIEISA-N 1 2 248.330 1.048 20 0 BDADLO Nc1cc(N2CC[C@H]3CCCO[C@@H]3C2)[nH+]cn1 ZINC001165332653 966056157 /nfs/dbraw/zinc/05/61/57/966056157.db2.gz FGCVGOZBOBTQES-NXEZZACHSA-N 1 2 234.303 1.064 20 0 BDADLO NC(=O)c1ccccc1CNc1cc[nH+]cc1F ZINC001166208771 966261205 /nfs/dbraw/zinc/26/12/05/966261205.db2.gz WGFXWFZEHKXMRM-UHFFFAOYSA-N 1 2 245.257 1.354 20 0 BDADLO c1cn2cccc(NC3=CCOC3)c2[nH+]1 ZINC001203382559 966278711 /nfs/dbraw/zinc/27/87/11/966278711.db2.gz PCOGTQTVMARCBP-UHFFFAOYSA-N 1 2 201.229 1.660 20 0 BDADLO CN(C)c1cc(N(C)C(C)(C)C)nc[nH+]1 ZINC001166526996 966285100 /nfs/dbraw/zinc/28/51/00/966285100.db2.gz PBDFVDAFZUNNIG-UHFFFAOYSA-N 1 2 208.309 1.777 20 0 BDADLO CN(C)c1cc(N(C)C(C)(C)C)[nH+]cn1 ZINC001166526996 966285107 /nfs/dbraw/zinc/28/51/07/966285107.db2.gz PBDFVDAFZUNNIG-UHFFFAOYSA-N 1 2 208.309 1.777 20 0 BDADLO CSc1cc[nH+]c(N(C)CC(=O)N(C)C)c1 ZINC001166663622 966355124 /nfs/dbraw/zinc/35/51/24/966355124.db2.gz CYKYENQTBKWSHH-UHFFFAOYSA-N 1 2 239.344 1.328 20 0 BDADLO Cc1cc(Nc2cc[nH]c(=O)c2)nc(C)[nH+]1 ZINC001212262369 966370395 /nfs/dbraw/zinc/37/03/95/966370395.db2.gz BGANGVLWEUSDNI-UHFFFAOYSA-N 1 2 216.244 1.938 20 0 BDADLO CCc1cn(Cc2nn(CC)nc2C)c[nH+]1 ZINC001166821924 966421512 /nfs/dbraw/zinc/42/15/12/966421512.db2.gz GAFBYEYANNZQHR-UHFFFAOYSA-N 1 2 219.292 1.414 20 0 BDADLO CN(CC1COC1)c1cc(N)cc(Cl)[nH+]1 ZINC001166948179 966472791 /nfs/dbraw/zinc/47/27/91/966472791.db2.gz HZEQOXJSKKCCTI-UHFFFAOYSA-N 1 2 227.695 1.400 20 0 BDADLO CC1(O)CC[NH+](Cc2nccnc2Cl)CC1 ZINC001236614353 966480666 /nfs/dbraw/zinc/48/06/66/966480666.db2.gz XXIGYETXZUUKMQ-UHFFFAOYSA-N 1 2 241.722 1.477 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc(F)c(O)c1 ZINC001236701786 966511939 /nfs/dbraw/zinc/51/19/39/966511939.db2.gz GMAMMFUBAFELSK-UHFFFAOYSA-N 1 2 211.236 1.552 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc(F)c(O)c1 ZINC001236701786 966511944 /nfs/dbraw/zinc/51/19/44/966511944.db2.gz GMAMMFUBAFELSK-UHFFFAOYSA-N 1 2 211.236 1.552 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001203205504 966543306 /nfs/dbraw/zinc/54/33/06/966543306.db2.gz BYGAWMUXTAGEQN-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001203205504 966543322 /nfs/dbraw/zinc/54/33/22/966543322.db2.gz BYGAWMUXTAGEQN-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001203205504 966543334 /nfs/dbraw/zinc/54/33/34/966543334.db2.gz BYGAWMUXTAGEQN-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001203205504 966543338 /nfs/dbraw/zinc/54/33/38/966543338.db2.gz BYGAWMUXTAGEQN-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1ccco1)C2 ZINC001203283992 966594751 /nfs/dbraw/zinc/59/47/51/966594751.db2.gz PWMSGRWMSBQRBY-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1ccco1)C2 ZINC001203283992 966594761 /nfs/dbraw/zinc/59/47/61/966594761.db2.gz PWMSGRWMSBQRBY-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1cc2c(n1)CC[N@@H+](Cc1ccco1)C2 ZINC001203278310 966597286 /nfs/dbraw/zinc/59/72/86/966597286.db2.gz KMMRFNGWCQPRNF-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1cc2c(n1)CC[N@H+](Cc1ccco1)C2 ZINC001203278310 966597298 /nfs/dbraw/zinc/59/72/98/966597298.db2.gz KMMRFNGWCQPRNF-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO CNc1ccc(Nc2cn(C)nc2C)c[nH+]1 ZINC001203447818 966636519 /nfs/dbraw/zinc/63/65/19/966636519.db2.gz QCUHDVPZUPMRDD-UHFFFAOYSA-N 1 2 217.276 1.909 20 0 BDADLO CNc1ccc(Nc2ccc(OC)nn2)c[nH+]1 ZINC001203448372 966646526 /nfs/dbraw/zinc/64/65/26/966646526.db2.gz ZLZRENVNEPOWLK-UHFFFAOYSA-N 1 2 231.259 1.666 20 0 BDADLO CNc1ccc(Nc2ccc(=O)[nH]c2)c[nH+]1 ZINC001203448650 966649332 /nfs/dbraw/zinc/64/93/32/966649332.db2.gz DMEFKXCSBGIJAD-UHFFFAOYSA-N 1 2 216.244 1.968 20 0 BDADLO Cc1nc(NC/C=C\CNC(=O)C2CC2)cc[nH+]1 ZINC001107003633 966716756 /nfs/dbraw/zinc/71/67/56/966716756.db2.gz VDFIGPKPQIRCSX-IHWYPQMZSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnnn2C)c1 ZINC001203657159 966719156 /nfs/dbraw/zinc/71/91/56/966719156.db2.gz KDDXVZPKTDVYKO-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO Cc1ncncc1C[N@H+](C)Cc1ccncc1 ZINC001238165491 966728622 /nfs/dbraw/zinc/72/86/22/966728622.db2.gz SZXCVBUHYXJDKF-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncncc1C[N@@H+](C)Cc1ccncc1 ZINC001238165491 966728638 /nfs/dbraw/zinc/72/86/38/966728638.db2.gz SZXCVBUHYXJDKF-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nc(NC/C=C\CNC(=O)C(C)C)cc[nH+]1 ZINC001107046336 966730685 /nfs/dbraw/zinc/73/06/85/966730685.db2.gz XBRYBONEXSKVRP-PLNGDYQASA-N 1 2 248.330 1.525 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC001203784341 966780940 /nfs/dbraw/zinc/78/09/40/966780940.db2.gz VSDPPPWGKUMBMT-WDEREUQCSA-N 1 2 213.227 1.340 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC001203784341 966780948 /nfs/dbraw/zinc/78/09/48/966780948.db2.gz VSDPPPWGKUMBMT-WDEREUQCSA-N 1 2 213.227 1.340 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1CC=CC1 ZINC000527943902 966838053 /nfs/dbraw/zinc/83/80/53/966838053.db2.gz BZCJNAOZBWHCEA-UHFFFAOYSA-N 1 2 234.303 1.186 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc[nH]2)C[C@H]1C ZINC001204011271 966842941 /nfs/dbraw/zinc/84/29/41/966842941.db2.gz LNRCJXAFHSOFTO-SNVBAGLBSA-N 1 2 221.304 1.067 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc[nH]2)C[C@H]1C ZINC001204011271 966842945 /nfs/dbraw/zinc/84/29/45/966842945.db2.gz LNRCJXAFHSOFTO-SNVBAGLBSA-N 1 2 221.304 1.067 20 0 BDADLO CC(=O)OC1C[NH+](Cc2c[nH]c3ccccc23)C1 ZINC001204043358 966866961 /nfs/dbraw/zinc/86/69/61/966866961.db2.gz QLLOQOULMKLVEW-UHFFFAOYSA-N 1 2 244.294 1.915 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc2c1OCO2 ZINC001204057328 966873083 /nfs/dbraw/zinc/87/30/83/966873083.db2.gz XBPUKRJZBVIILM-VXGBXAGGSA-N 1 2 247.294 1.779 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc2c1OCO2 ZINC001204057328 966873090 /nfs/dbraw/zinc/87/30/90/966873090.db2.gz XBPUKRJZBVIILM-VXGBXAGGSA-N 1 2 247.294 1.779 20 0 BDADLO O=C1CC[N@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001204091200 966888474 /nfs/dbraw/zinc/88/84/74/966888474.db2.gz RPXVZMJQHARTRD-GFCCVEGCSA-N 1 2 237.274 1.895 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001204091200 966888479 /nfs/dbraw/zinc/88/84/79/966888479.db2.gz RPXVZMJQHARTRD-GFCCVEGCSA-N 1 2 237.274 1.895 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001204168317 966906828 /nfs/dbraw/zinc/90/68/28/966906828.db2.gz NMTAUAQOAJKSCS-UHFFFAOYSA-N 1 2 235.352 1.559 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccoc2)C[C@H]1C ZINC001204243639 966928359 /nfs/dbraw/zinc/92/83/59/966928359.db2.gz BZHFBMPCDFKGDO-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccoc2)C[C@H]1C ZINC001204243639 966928367 /nfs/dbraw/zinc/92/83/67/966928367.db2.gz BZHFBMPCDFKGDO-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cc(F)cc(F)c1)C2 ZINC001204227380 966930637 /nfs/dbraw/zinc/93/06/37/966930637.db2.gz FTXWUXMUDFVPIL-UHFFFAOYSA-N 1 2 239.265 1.922 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1ccoc1)C2 ZINC001204244241 966941541 /nfs/dbraw/zinc/94/15/41/966941541.db2.gz UZUJNUPTKDMICD-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1ccoc1)C2 ZINC001204244241 966941547 /nfs/dbraw/zinc/94/15/47/966941547.db2.gz UZUJNUPTKDMICD-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO c1cc(CN2CCn3c[nH+]cc3C2)co1 ZINC001204245193 966942349 /nfs/dbraw/zinc/94/23/49/966942349.db2.gz DYUDOWIUTJCKQE-UHFFFAOYSA-N 1 2 203.245 1.492 20 0 BDADLO Nc1[nH+]cccc1Nc1ccc[nH]c1=O ZINC001212391345 967004954 /nfs/dbraw/zinc/00/49/54/967004954.db2.gz MMQJOCQUJGEPEO-UHFFFAOYSA-N 1 2 202.217 1.508 20 0 BDADLO Cc1ccc(N)c2nn(-c3ccc[nH+]c3N)cc21 ZINC001212399809 967040500 /nfs/dbraw/zinc/04/05/00/967040500.db2.gz LQOIYHVMAAQBGS-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001204549069 967047220 /nfs/dbraw/zinc/04/72/20/967047220.db2.gz DORALAXMFYYYEF-SECBINFHSA-N 1 2 210.302 1.554 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001204549069 967047230 /nfs/dbraw/zinc/04/72/30/967047230.db2.gz DORALAXMFYYYEF-SECBINFHSA-N 1 2 210.302 1.554 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001204548994 967049342 /nfs/dbraw/zinc/04/93/42/967049342.db2.gz ACTVCJSXQYUNNK-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001204548994 967049356 /nfs/dbraw/zinc/04/93/56/967049356.db2.gz ACTVCJSXQYUNNK-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2nccs2)C1 ZINC001204550450 967051314 /nfs/dbraw/zinc/05/13/14/967051314.db2.gz VAPGDDBVZDSKJN-QMMMGPOBSA-N 1 2 212.318 1.610 20 0 BDADLO Cc1cc(-n2ncc3ccc(N)cc32)c[nH+]c1N ZINC001249784755 967061942 /nfs/dbraw/zinc/06/19/42/967061942.db2.gz SIUWYCGZXVLOSQ-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001204576375 967065574 /nfs/dbraw/zinc/06/55/74/967065574.db2.gz MNWGHSQGJLDDEF-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001204576375 967065578 /nfs/dbraw/zinc/06/55/78/967065578.db2.gz MNWGHSQGJLDDEF-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO CCOC(=O)CCc1ccc(NC)[nH+]c1 ZINC001249962566 967205768 /nfs/dbraw/zinc/20/57/68/967205768.db2.gz YWRLRLIRUZXKAL-UHFFFAOYSA-N 1 2 208.261 1.619 20 0 BDADLO c1cn2ccc(Nc3ccnnc3)cc2[nH+]1 ZINC001204959546 967259812 /nfs/dbraw/zinc/25/98/12/967259812.db2.gz PNPIXMWJIQJSBK-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO CCN(CC)C(=O)Cc1c[nH+]ccc1OC ZINC001250011156 967270421 /nfs/dbraw/zinc/27/04/21/967270421.db2.gz QOIXIKSYPOZMQF-UHFFFAOYSA-N 1 2 222.288 1.501 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC=C(C)C)C[N@@H+]1C ZINC001205025467 967299066 /nfs/dbraw/zinc/29/90/66/967299066.db2.gz IEEVKZCKIBXFKD-MNOVXSKESA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC=C(C)C)C[N@H+]1C ZINC001205025467 967299073 /nfs/dbraw/zinc/29/90/73/967299073.db2.gz IEEVKZCKIBXFKD-MNOVXSKESA-N 1 2 227.304 1.215 20 0 BDADLO CN1CCC12C[NH+](CCc1cccc(F)c1)C2 ZINC001276479105 967335090 /nfs/dbraw/zinc/33/50/90/967335090.db2.gz VCHFONJXHKBABE-UHFFFAOYSA-N 1 2 234.318 1.758 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc([S-])cc1 ZINC001205196869 967421191 /nfs/dbraw/zinc/42/11/91/967421191.db2.gz CRBJKTOVFKRURA-BXKDBHETSA-N 1 2 222.357 1.897 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc([S-])cc1 ZINC001205196869 967421194 /nfs/dbraw/zinc/42/11/94/967421194.db2.gz CRBJKTOVFKRURA-BXKDBHETSA-N 1 2 222.357 1.897 20 0 BDADLO Cc1cncc(-c2noc([C@@]3([NH3+])CCOC3)n2)c1 ZINC001205228202 967427929 /nfs/dbraw/zinc/42/79/29/967427929.db2.gz YWPZEATYWNUJCE-GFCCVEGCSA-N 1 2 246.270 1.014 20 0 BDADLO Cc1[nH+]cc(C[C@@H]2COC(C)(C)O2)cc1N ZINC001250186228 967490930 /nfs/dbraw/zinc/49/09/30/967490930.db2.gz PILILEZDNTYIED-SNVBAGLBSA-N 1 2 222.288 1.666 20 0 BDADLO COc1ccc(CC[NH+]2CCOCC2)cc1F ZINC001250274465 967604804 /nfs/dbraw/zinc/60/48/04/967604804.db2.gz KLXOSYNNZQKJOV-UHFFFAOYSA-N 1 2 239.290 1.709 20 0 BDADLO O=C(Cc1ccn2cc[nH+]c2c1)N1CCCC1 ZINC001250292253 967626279 /nfs/dbraw/zinc/62/62/79/967626279.db2.gz DVMKJEWZNYAUPB-UHFFFAOYSA-N 1 2 229.283 1.499 20 0 BDADLO Cc1ccc(CC(=O)N2CCCC2)c(C)[nH+]1 ZINC001250293212 967634965 /nfs/dbraw/zinc/63/49/65/967634965.db2.gz OPRRPNHFLCZXLK-UHFFFAOYSA-N 1 2 218.300 1.863 20 0 BDADLO Cc1c[nH]c(CCNC(=O)CCC(F)(F)F)[nH+]1 ZINC001143148459 967637995 /nfs/dbraw/zinc/63/79/95/967637995.db2.gz NHNJILGJWQFDQH-UHFFFAOYSA-N 1 2 249.236 1.719 20 0 BDADLO OCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC000084989646 967642390 /nfs/dbraw/zinc/64/23/90/967642390.db2.gz AGVDKVQAKHRQOL-UHFFFAOYSA-N 1 2 213.227 1.389 20 0 BDADLO OCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000084988628 967647352 /nfs/dbraw/zinc/64/73/52/967647352.db2.gz SMMOFUWRZDPJCV-UHFFFAOYSA-N 1 2 212.680 1.159 20 0 BDADLO COc1ncccc1CCn1cc[nH+]c1 ZINC001250315118 967671573 /nfs/dbraw/zinc/67/15/73/967671573.db2.gz GCVOXQVOFOUFNA-UHFFFAOYSA-N 1 2 203.245 1.529 20 0 BDADLO COc1cnc(F)c(CCn2cc[nH+]c2)c1 ZINC001250320559 967696259 /nfs/dbraw/zinc/69/62/59/967696259.db2.gz OWWHXSCUKXOWEX-UHFFFAOYSA-N 1 2 221.235 1.669 20 0 BDADLO CCCCNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001162202144 967733358 /nfs/dbraw/zinc/73/33/58/967733358.db2.gz KDTQZAQSHQIPRP-UHFFFAOYSA-N 1 2 233.315 1.811 20 0 BDADLO COc1cc[nH+]cc1Cc1nc(C)no1 ZINC001250356206 967759966 /nfs/dbraw/zinc/75/99/66/967759966.db2.gz VYUUQJWKPXLNOD-UHFFFAOYSA-N 1 2 205.217 1.372 20 0 BDADLO OCC[N@@H+](Cc1cnoc1)Cc1cccs1 ZINC001205696965 967786845 /nfs/dbraw/zinc/78/68/45/967786845.db2.gz KZRVQWXZQRZFAB-UHFFFAOYSA-N 1 2 238.312 1.731 20 0 BDADLO OCC[N@H+](Cc1cnoc1)Cc1cccs1 ZINC001205696965 967786859 /nfs/dbraw/zinc/78/68/59/967786859.db2.gz KZRVQWXZQRZFAB-UHFFFAOYSA-N 1 2 238.312 1.731 20 0 BDADLO Cc1cnccc1C[N@H+](C)Cc1cncnc1 ZINC001205873426 967868438 /nfs/dbraw/zinc/86/84/38/967868438.db2.gz PJDDNZRJWBZIGH-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cnccc1C[N@@H+](C)Cc1cncnc1 ZINC001205873426 967868441 /nfs/dbraw/zinc/86/84/41/967868441.db2.gz PJDDNZRJWBZIGH-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO COC(=O)CC[N@H+](Cc1coc(C)n1)C1CC1 ZINC001206087276 968055348 /nfs/dbraw/zinc/05/53/48/968055348.db2.gz OPXAXRJMNVWRES-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1nc(N2CCC[C@H](O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001164231109 968197754 /nfs/dbraw/zinc/19/77/54/968197754.db2.gz SGSORIYMFOQFEF-ZANVPECISA-N 1 2 249.358 1.999 20 0 BDADLO CCn1nccc1C[NH2+]Cc1ncccc1OC ZINC001206301569 968210535 /nfs/dbraw/zinc/21/05/35/968210535.db2.gz WKXUOXRLYLMQTH-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO Nc1ccccc1Nc1[nH+]cccc1N ZINC001206307823 968214203 /nfs/dbraw/zinc/21/42/03/968214203.db2.gz FIZUVBMFLSIAOI-UHFFFAOYSA-N 1 2 200.245 1.990 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001206322923 968230111 /nfs/dbraw/zinc/23/01/11/968230111.db2.gz WRZWOXVEGFXIEZ-CHWSQXEVSA-N 1 2 247.342 1.754 20 0 BDADLO Cn1nccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001206322923 968230125 /nfs/dbraw/zinc/23/01/25/968230125.db2.gz WRZWOXVEGFXIEZ-CHWSQXEVSA-N 1 2 247.342 1.754 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001206348946 968252777 /nfs/dbraw/zinc/25/27/77/968252777.db2.gz NJYOVQHHAHXXFO-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001206348946 968252785 /nfs/dbraw/zinc/25/27/85/968252785.db2.gz NJYOVQHHAHXXFO-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@H](O)COc1ccccc1 ZINC001251163751 968272318 /nfs/dbraw/zinc/27/23/18/968272318.db2.gz BXQLKLBRUBMUBV-NSHDSACASA-N 1 2 247.298 1.570 20 0 BDADLO C[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001251288676 968277706 /nfs/dbraw/zinc/27/77/06/968277706.db2.gz HMSMNKCBGFWYPX-VHSXEESVSA-N 1 2 221.304 1.606 20 0 BDADLO Cc1nc2c(ccn2C)c(N[C@H](C)CCO)[nH+]1 ZINC001165865733 968298083 /nfs/dbraw/zinc/29/80/83/968298083.db2.gz ARJOWGVRIWMLGF-MRVPVSSYSA-N 1 2 234.303 1.460 20 0 BDADLO COc1cnccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001206487382 968337325 /nfs/dbraw/zinc/33/73/25/968337325.db2.gz OTPLKIPBOLNGDO-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cnccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001206487382 968337330 /nfs/dbraw/zinc/33/73/30/968337330.db2.gz OTPLKIPBOLNGDO-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cnccc1C[NH+]1CC2(CSC2)C1 ZINC001206494115 968338939 /nfs/dbraw/zinc/33/89/39/968338939.db2.gz UIAFTLUDQFSCIW-UHFFFAOYSA-N 1 2 236.340 1.639 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H](C)c2ncnn2C)c1C ZINC001119376325 968370430 /nfs/dbraw/zinc/37/04/30/968370430.db2.gz OPRQLMLTRPGSFZ-VIFPVBQESA-N 1 2 234.307 1.006 20 0 BDADLO COC(C)(C)[C@H]1CCCN1c1cc(N)nc[nH+]1 ZINC001166795738 968388138 /nfs/dbraw/zinc/38/81/38/968388138.db2.gz JUAFXYXSLNUDBS-SECBINFHSA-N 1 2 236.319 1.453 20 0 BDADLO COc1ncccc1C[N@@H+]1CCCCC12COC2 ZINC001206584809 968402263 /nfs/dbraw/zinc/40/22/63/968402263.db2.gz OIWAPSKYOZEEBY-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ncccc1C[N@H+]1CCCCC12COC2 ZINC001206584809 968402273 /nfs/dbraw/zinc/40/22/73/968402273.db2.gz OIWAPSKYOZEEBY-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)no1 ZINC001206816007 968489154 /nfs/dbraw/zinc/48/91/54/968489154.db2.gz ZGJPEYXIELMBLB-YPMHNXCESA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)no1 ZINC001206816007 968489159 /nfs/dbraw/zinc/48/91/59/968489159.db2.gz ZGJPEYXIELMBLB-YPMHNXCESA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[NH+]2CC(c3cccnc3)C2)no1 ZINC001206819683 968489973 /nfs/dbraw/zinc/48/99/73/968489973.db2.gz LWAVQHBIIVEAMZ-UHFFFAOYSA-N 1 2 229.283 1.977 20 0 BDADLO CCCC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001252086658 968509729 /nfs/dbraw/zinc/50/97/29/968509729.db2.gz PKHNFQMUINWLOA-LLVKDONJSA-N 1 2 245.363 1.811 20 0 BDADLO CCCC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001252086658 968509733 /nfs/dbraw/zinc/50/97/33/968509733.db2.gz PKHNFQMUINWLOA-LLVKDONJSA-N 1 2 245.363 1.811 20 0 BDADLO CCCCNC(=S)NCCc1[nH+]ccn1C ZINC000164286645 968515266 /nfs/dbraw/zinc/51/52/66/968515266.db2.gz MNAXCDCOCXSJJX-UHFFFAOYSA-N 1 2 240.376 1.227 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CO[C@@H](C)C2)[nH+]c1C ZINC000822506116 968522702 /nfs/dbraw/zinc/52/27/02/968522702.db2.gz KCLLQWZZKNXKET-OIBJUYFYSA-N 1 2 237.303 1.068 20 0 BDADLO O=c1[nH]cccc1C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001207002499 968539261 /nfs/dbraw/zinc/53/92/61/968539261.db2.gz YBMIGLOBQHPORH-VIFPVBQESA-N 1 2 246.232 1.966 20 0 BDADLO O=c1[nH]cccc1C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001207002499 968539266 /nfs/dbraw/zinc/53/92/66/968539266.db2.gz YBMIGLOBQHPORH-VIFPVBQESA-N 1 2 246.232 1.966 20 0 BDADLO O=C1CC[C@@]2(CCC[N@H+](Cc3ncccn3)C2)O1 ZINC001207018177 968552500 /nfs/dbraw/zinc/55/25/00/968552500.db2.gz XCIZDUZHGJEFGN-CYBMUJFWSA-N 1 2 247.298 1.148 20 0 BDADLO O=C1CC[C@@]2(CCC[N@@H+](Cc3ncccn3)C2)O1 ZINC001207018177 968552502 /nfs/dbraw/zinc/55/25/02/968552502.db2.gz XCIZDUZHGJEFGN-CYBMUJFWSA-N 1 2 247.298 1.148 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001207016474 968552912 /nfs/dbraw/zinc/55/29/12/968552912.db2.gz YYJVXUASGKNWQD-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001207016474 968552919 /nfs/dbraw/zinc/55/29/19/968552919.db2.gz YYJVXUASGKNWQD-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO CC[N@H+](Cc1cncc(F)c1)C1CN(C)C1 ZINC001207024927 968558823 /nfs/dbraw/zinc/55/88/23/968558823.db2.gz KMTYLIVQUQNYEY-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO CC[N@@H+](Cc1cncc(F)c1)C1CN(C)C1 ZINC001207024927 968558830 /nfs/dbraw/zinc/55/88/30/968558830.db2.gz KMTYLIVQUQNYEY-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001252119240 968602095 /nfs/dbraw/zinc/60/20/95/968602095.db2.gz VUJPGPZXGHBRML-GHMZBOCLSA-N 1 2 231.336 1.469 20 0 BDADLO C[N@@H+](Cc1ccncn1)Cc1cccc(=O)[nH]1 ZINC001207075060 968611307 /nfs/dbraw/zinc/61/13/07/968611307.db2.gz UEIYFXLMWWXHEO-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@H+](Cc1ccncn1)Cc1cccc(=O)[nH]1 ZINC001207075060 968611319 /nfs/dbraw/zinc/61/13/19/968611319.db2.gz UEIYFXLMWWXHEO-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1ncc(F)cc1F ZINC001207103805 968634171 /nfs/dbraw/zinc/63/41/71/968634171.db2.gz XWVLWSZEXYOMNB-UHFFFAOYSA-N 1 2 244.241 1.355 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1ncc(F)cc1F ZINC001207103805 968634176 /nfs/dbraw/zinc/63/41/76/968634176.db2.gz XWVLWSZEXYOMNB-UHFFFAOYSA-N 1 2 244.241 1.355 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207103782 968634225 /nfs/dbraw/zinc/63/42/25/968634225.db2.gz WOZPWYQACGMUIQ-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207103782 968634231 /nfs/dbraw/zinc/63/42/31/968634231.db2.gz WOZPWYQACGMUIQ-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CCC[C@H]([NH2+]CC(C)(C)O)C(=O)OC(C)(C)C ZINC001252367586 968648360 /nfs/dbraw/zinc/64/83/60/968648360.db2.gz PSADSSOLFOMENJ-JTQLQIEISA-N 1 2 245.363 1.857 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000825662710 968651165 /nfs/dbraw/zinc/65/11/65/968651165.db2.gz VPXWOAFFKAOGNJ-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001207140883 968653250 /nfs/dbraw/zinc/65/32/50/968653250.db2.gz BQAQGQCNORTAPK-CHWSQXEVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001207140883 968653253 /nfs/dbraw/zinc/65/32/53/968653253.db2.gz BQAQGQCNORTAPK-CHWSQXEVSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001207147222 968655707 /nfs/dbraw/zinc/65/57/07/968655707.db2.gz AFJAJERUWHCJJJ-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1ncccc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001207147222 968655708 /nfs/dbraw/zinc/65/57/08/968655708.db2.gz AFJAJERUWHCJJJ-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001207153937 968660998 /nfs/dbraw/zinc/66/09/98/968660998.db2.gz ITXVXEUUKAOXNB-CHWSQXEVSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001207153937 968661006 /nfs/dbraw/zinc/66/10/06/968661006.db2.gz ITXVXEUUKAOXNB-CHWSQXEVSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cncc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001207161069 968669280 /nfs/dbraw/zinc/66/92/80/968669280.db2.gz UKDMFAJJVIOKBI-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1cncc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001207161069 968669282 /nfs/dbraw/zinc/66/92/82/968669282.db2.gz UKDMFAJJVIOKBI-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)c1ccc[nH]1 ZINC001085482689 968757107 /nfs/dbraw/zinc/75/71/07/968757107.db2.gz KNKKZEDFUUQGKC-JTQLQIEISA-N 1 2 239.294 1.131 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)c1ccc[nH]1 ZINC001085482689 968757115 /nfs/dbraw/zinc/75/71/15/968757115.db2.gz KNKKZEDFUUQGKC-JTQLQIEISA-N 1 2 239.294 1.131 20 0 BDADLO COc1cccc(CC[NH+]2CCN(C#N)CC2)c1 ZINC001207436849 968767585 /nfs/dbraw/zinc/76/75/85/968767585.db2.gz SZHCOHQVVDRQLI-UHFFFAOYSA-N 1 2 245.326 1.336 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cnccc2C)[nH+]c1C ZINC000828202373 968768614 /nfs/dbraw/zinc/76/86/14/968768614.db2.gz GZSSLWMASUNFEB-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@H]1CC1(C)C ZINC001085551939 968795072 /nfs/dbraw/zinc/79/50/72/968795072.db2.gz PCQBCRQXCQGLIV-WDEREUQCSA-N 1 2 242.338 1.535 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@H]1CC1(C)C ZINC001085551939 968795078 /nfs/dbraw/zinc/79/50/78/968795078.db2.gz PCQBCRQXCQGLIV-WDEREUQCSA-N 1 2 242.338 1.535 20 0 BDADLO OC1(C(F)(F)F)C[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207616098 968836310 /nfs/dbraw/zinc/83/63/10/968836310.db2.gz RVOMCDJMXJJUOC-AEJSXWLSSA-N 1 2 247.260 1.808 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628010 968845668 /nfs/dbraw/zinc/84/56/68/968845668.db2.gz FGHITTMHEDPYOL-IRCOFANPSA-N 1 2 243.297 1.901 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628010 968845673 /nfs/dbraw/zinc/84/56/73/968845673.db2.gz FGHITTMHEDPYOL-IRCOFANPSA-N 1 2 243.297 1.901 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@@H]2CCC=CO2)n1 ZINC001207775407 968880353 /nfs/dbraw/zinc/88/03/53/968880353.db2.gz PZHCISBKQWIGAL-LBPRGKRZSA-N 1 2 221.304 1.545 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@@H]2CCC=CO2)n1 ZINC001207775407 968880359 /nfs/dbraw/zinc/88/03/59/968880359.db2.gz PZHCISBKQWIGAL-LBPRGKRZSA-N 1 2 221.304 1.545 20 0 BDADLO CC1(C[N@@H+]2CCC[C@H](F)C(=O)C2)COC1 ZINC001207791693 968883244 /nfs/dbraw/zinc/88/32/44/968883244.db2.gz ZJADTKSJCULKBL-VIFPVBQESA-N 1 2 215.268 1.026 20 0 BDADLO CC1(C[N@H+]2CCC[C@H](F)C(=O)C2)COC1 ZINC001207791693 968883253 /nfs/dbraw/zinc/88/32/53/968883253.db2.gz ZJADTKSJCULKBL-VIFPVBQESA-N 1 2 215.268 1.026 20 0 BDADLO CC(C)OC[C@H](O)CNc1cccc2[nH+]ccn21 ZINC001252665055 968898362 /nfs/dbraw/zinc/89/83/62/968898362.db2.gz OCSAEWAOERLXNN-LLVKDONJSA-N 1 2 249.314 1.532 20 0 BDADLO Nc1cc(-c2cccc3nncn32)cc[nH+]1 ZINC001241163289 968942762 /nfs/dbraw/zinc/94/27/62/968942762.db2.gz SWAHPXVCDCHVAH-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO CCOC(=O)c1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241170311 968944187 /nfs/dbraw/zinc/94/41/87/968944187.db2.gz HLATZGDVHUZQTG-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO Nc1cc(-c2ccn3ncnc3c2)cc[nH+]1 ZINC001241163769 968945017 /nfs/dbraw/zinc/94/50/17/968945017.db2.gz ZTWIOEQSTJOSPA-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO O[C@H](C[N@H+]1C[C@H]2C[C@@H](C1)O2)c1ccc(F)cc1 ZINC001252846917 969035248 /nfs/dbraw/zinc/03/52/48/969035248.db2.gz FWRUEIHBIDQEMA-FRRDWIJNSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@H](C[N@@H+]1C[C@H]2C[C@@H](C1)O2)c1ccc(F)cc1 ZINC001252846917 969035260 /nfs/dbraw/zinc/03/52/60/969035260.db2.gz FWRUEIHBIDQEMA-FRRDWIJNSA-N 1 2 237.274 1.332 20 0 BDADLO CC(=O)OC1C[NH+](C[C@@](C)(O)c2ccccc2)C1 ZINC001253100634 969086494 /nfs/dbraw/zinc/08/64/94/969086494.db2.gz LWZIWCLWTMDAFG-CQSZACIVSA-N 1 2 249.310 1.141 20 0 BDADLO CC1=C[C@H](C)[C@@H](C[NH+]2CC(F)(CO)C2)CC1 ZINC001208163018 969094639 /nfs/dbraw/zinc/09/46/39/969094639.db2.gz UAUMFHMAGZWIOM-NWDGAFQWSA-N 1 2 227.323 1.995 20 0 BDADLO CC(=O)N1CC=C(c2ccc(C)c(N)[nH+]2)CC1 ZINC001241966111 969154915 /nfs/dbraw/zinc/15/49/15/969154915.db2.gz JLYYGAIDFGTJDN-UHFFFAOYSA-N 1 2 231.299 1.608 20 0 BDADLO CC1=NNC(=c2ccnc3c2=CC=[NH+]3)O1 ZINC001253416398 969168914 /nfs/dbraw/zinc/16/89/14/969168914.db2.gz WVNMXJWSLMAUHE-QMMMGPOBSA-N 1 2 200.201 1.398 20 0 BDADLO COC(=O)[C@H]1CC[C@H](C[NH+]2CC(F)C2)CC1 ZINC001208623499 969178590 /nfs/dbraw/zinc/17/85/90/969178590.db2.gz AGINWRIHDLVYSG-MGCOHNPYSA-N 1 2 229.295 1.620 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001329549779 969189950 /nfs/dbraw/zinc/18/99/50/969189950.db2.gz YYFGMSPJUBQVMM-ZJUUUORDSA-N 1 2 246.318 1.116 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2ncn(C)c21 ZINC001242071301 969196607 /nfs/dbraw/zinc/19/66/07/969196607.db2.gz ZKTVIOPOBSNWSV-UHFFFAOYSA-N 1 2 240.270 1.316 20 0 BDADLO CCCCC[C@@H](O)C[NH+]1CC(N2CCCC2)C1 ZINC001253533920 969206992 /nfs/dbraw/zinc/20/69/92/969206992.db2.gz XOITVVUUIBTJFZ-CQSZACIVSA-N 1 2 240.391 1.708 20 0 BDADLO CCCCC[C@H](O)C[NH2+][C@@H](CC)C(=O)OC ZINC001253546883 969217713 /nfs/dbraw/zinc/21/77/13/969217713.db2.gz BOTPEPGUXQAYHV-QWRGUYRKSA-N 1 2 231.336 1.469 20 0 BDADLO O=C(CCNc1cccc[nH+]1)Nc1nccs1 ZINC001168909023 969262233 /nfs/dbraw/zinc/26/22/33/969262233.db2.gz PJMXEBFEEVITQB-UHFFFAOYSA-N 1 2 248.311 1.979 20 0 BDADLO COCOCCC[N@@H+]1Cc2ccncc2C1 ZINC001209030233 969323835 /nfs/dbraw/zinc/32/38/35/969323835.db2.gz SXIDTVMYTRROSC-UHFFFAOYSA-N 1 2 222.288 1.408 20 0 BDADLO COCOCCC[N@H+]1Cc2ccncc2C1 ZINC001209030233 969323842 /nfs/dbraw/zinc/32/38/42/969323842.db2.gz SXIDTVMYTRROSC-UHFFFAOYSA-N 1 2 222.288 1.408 20 0 BDADLO CCOC(=O)CC[N@@H+]1Cc2cnc(C)cc2C1 ZINC001209037608 969331837 /nfs/dbraw/zinc/33/18/37/969331837.db2.gz VHYLRYCOWFQDQM-UHFFFAOYSA-N 1 2 234.299 1.659 20 0 BDADLO CCOC(=O)CC[N@H+]1Cc2cnc(C)cc2C1 ZINC001209037608 969331843 /nfs/dbraw/zinc/33/18/43/969331843.db2.gz VHYLRYCOWFQDQM-UHFFFAOYSA-N 1 2 234.299 1.659 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1Cc2cncnc2C1 ZINC001253715886 969343109 /nfs/dbraw/zinc/34/31/09/969343109.db2.gz RNYWHGAZJGLBJM-NSHDSACASA-N 1 2 221.304 1.199 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1Cc2cncnc2C1 ZINC001253715886 969343112 /nfs/dbraw/zinc/34/31/12/969343112.db2.gz RNYWHGAZJGLBJM-NSHDSACASA-N 1 2 221.304 1.199 20 0 BDADLO CC(C)(C)[C@@H](O)CNc1[nH+]cccc1O ZINC001253716507 969343372 /nfs/dbraw/zinc/34/33/72/969343372.db2.gz CZQJOLZNAZGNNN-VIFPVBQESA-N 1 2 210.277 1.606 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C(=O)OC ZINC001253745283 969364263 /nfs/dbraw/zinc/36/42/63/969364263.db2.gz CWXZUVDQNKEQGK-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO CCCn1c[nH+]cc1CN[C@H](C)C(=O)OCC ZINC000090205139 969393495 /nfs/dbraw/zinc/39/34/95/969393495.db2.gz YNJXZGIRLSZHLI-SNVBAGLBSA-N 1 2 239.319 1.334 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCCC1OCCO1)C2 ZINC001209304670 969431957 /nfs/dbraw/zinc/43/19/57/969431957.db2.gz VQAJHIQEDWODBO-UHFFFAOYSA-N 1 2 234.299 1.550 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCCC1OCCO1)C2 ZINC001209304670 969431964 /nfs/dbraw/zinc/43/19/64/969431964.db2.gz VQAJHIQEDWODBO-UHFFFAOYSA-N 1 2 234.299 1.550 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cc3c(cn2)OCCC3)C1 ZINC001209502470 969530217 /nfs/dbraw/zinc/53/02/17/969530217.db2.gz GYTKZFBUIMAEFL-LLVKDONJSA-N 1 2 236.290 1.950 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cc3c(cn2)OCCC3)C1 ZINC001209502470 969530222 /nfs/dbraw/zinc/53/02/22/969530222.db2.gz GYTKZFBUIMAEFL-LLVKDONJSA-N 1 2 236.290 1.950 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cncs1)C2 ZINC001209544781 969535046 /nfs/dbraw/zinc/53/50/46/969535046.db2.gz QWAUIFSPQZLWJE-UHFFFAOYSA-N 1 2 210.302 1.100 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001209553023 969537348 /nfs/dbraw/zinc/53/73/48/969537348.db2.gz LHTIVJPOOFTZJK-CYBMUJFWSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001209553023 969537354 /nfs/dbraw/zinc/53/73/54/969537354.db2.gz LHTIVJPOOFTZJK-CYBMUJFWSA-N 1 2 235.331 1.863 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cncs1)C2 ZINC001209549655 969538419 /nfs/dbraw/zinc/53/84/19/969538419.db2.gz DDVMHHITIFQBPO-ONGXEEELSA-N 1 2 224.329 1.896 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cncs1)C2 ZINC001209549655 969538424 /nfs/dbraw/zinc/53/84/24/969538424.db2.gz DDVMHHITIFQBPO-ONGXEEELSA-N 1 2 224.329 1.896 20 0 BDADLO COC(=O)CC1C[NH+](Cc2cncs2)C1 ZINC001209550184 969538889 /nfs/dbraw/zinc/53/88/89/969538889.db2.gz PTTSBVPHZSMQBB-UHFFFAOYSA-N 1 2 226.301 1.138 20 0 BDADLO Nc1cc[nH+]cc1CN1CCC(C(F)F)CC1 ZINC001209731233 969595626 /nfs/dbraw/zinc/59/56/26/969595626.db2.gz QHKUCJPOIBOLLL-UHFFFAOYSA-N 1 2 241.285 1.971 20 0 BDADLO Cn1cnc(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209841240 969649717 /nfs/dbraw/zinc/64/97/17/969649717.db2.gz HKEAYWSXZSVTDI-UHFFFAOYSA-N 1 2 214.232 1.435 20 0 BDADLO COc1cc[nH+]c(Nc2ccnnc2)c1 ZINC001209955321 969712922 /nfs/dbraw/zinc/71/29/22/969712922.db2.gz OWMFUALOUBWLAI-UHFFFAOYSA-N 1 2 202.217 1.624 20 0 BDADLO COc1c[nH+]c(NCC(=O)N2CCCC2)c(C)c1 ZINC001156347302 969797043 /nfs/dbraw/zinc/79/70/43/969797043.db2.gz GWBFPMLFYZROPO-UHFFFAOYSA-N 1 2 249.314 1.433 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cccc2c1COC2 ZINC001169656417 969801553 /nfs/dbraw/zinc/80/15/53/969801553.db2.gz LTIFMFIXPQHWGM-GFCCVEGCSA-N 1 2 248.326 1.459 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cccc2c1COC2 ZINC001169656417 969801556 /nfs/dbraw/zinc/80/15/56/969801556.db2.gz LTIFMFIXPQHWGM-GFCCVEGCSA-N 1 2 248.326 1.459 20 0 BDADLO COC(=O)C1([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254922170 969821424 /nfs/dbraw/zinc/82/14/24/969821424.db2.gz MHZLSUMSJCZNNC-IUCAKERBSA-N 1 2 237.299 1.039 20 0 BDADLO Nc1ccc(NCc2ncccc2O)c[nH+]1 ZINC001169732240 969838298 /nfs/dbraw/zinc/83/82/98/969838298.db2.gz JPFNKCVNYRYIDO-UHFFFAOYSA-N 1 2 216.244 1.377 20 0 BDADLO COC(=O)C1([NH2+]C2Cc3ccccc3C2)CCC1 ZINC001255010611 969844625 /nfs/dbraw/zinc/84/46/25/969844625.db2.gz DYOMEFMHHBONRJ-UHFFFAOYSA-N 1 2 245.322 1.839 20 0 BDADLO C=CC(=O)NCCNc1cc2cc(C)[nH]c2c[nH+]1 ZINC001169802464 969849291 /nfs/dbraw/zinc/84/92/91/969849291.db2.gz HATBIICROMHXAZ-UHFFFAOYSA-N 1 2 244.298 1.585 20 0 BDADLO Cc1[nH+]cc(Nc2ccnn2C2COC2)cc1N ZINC001210287684 969857275 /nfs/dbraw/zinc/85/72/75/969857275.db2.gz ZLPPRPDAGYTWBO-UHFFFAOYSA-N 1 2 245.286 1.484 20 0 BDADLO FC(F)(C[NH2+]C1CCOCC1)c1ccccn1 ZINC001255033912 969857722 /nfs/dbraw/zinc/85/77/22/969857722.db2.gz FLHKQLFUPXBLJQ-UHFFFAOYSA-N 1 2 242.269 1.942 20 0 BDADLO C=CC(=O)NCCNc1cc(C)c2[nH]ccc2[nH+]1 ZINC001169813786 969866329 /nfs/dbraw/zinc/86/63/29/969866329.db2.gz QCUFJCDPNSBBFT-UHFFFAOYSA-N 1 2 244.298 1.585 20 0 BDADLO OC[C@@H](c1nnc(C2CCC2)o1)n1cc[nH+]c1 ZINC001255182459 969998350 /nfs/dbraw/zinc/99/83/50/969998350.db2.gz NABVVFVPCMQCPD-VIFPVBQESA-N 1 2 234.259 1.115 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCSC1)C(C)(C)C ZINC001255269044 970019442 /nfs/dbraw/zinc/01/94/42/970019442.db2.gz WDJGCWYUGZPBAS-DTWKUNHWSA-N 1 2 231.361 1.669 20 0 BDADLO CCCC[C@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001255320019 970094743 /nfs/dbraw/zinc/09/47/43/970094743.db2.gz NMHJLFUIBCKEKM-CMPLNLGQSA-N 1 2 229.320 1.487 20 0 BDADLO CN1CC[C@H]([NH2+]C2(c3ccccc3)COC2)C1 ZINC001255415854 970135785 /nfs/dbraw/zinc/13/57/85/970135785.db2.gz SJYDQXLIJXAEMT-ZDUSSCGKSA-N 1 2 232.327 1.206 20 0 BDADLO OCc1cncc(Nc2cccc3[nH+]ccn32)c1 ZINC001211101433 970144449 /nfs/dbraw/zinc/14/44/49/970144449.db2.gz MKNUIHOODIUXFO-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO Cn1ccc2c1cc[nH+]c2N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001157288837 970187863 /nfs/dbraw/zinc/18/78/63/970187863.db2.gz HCXMHOABPINKEP-KWQFWETISA-N 1 2 243.266 1.077 20 0 BDADLO CC(=O)Nc1ncc(-c2c[nH+]cn2C)cc1C ZINC001243067277 970255007 /nfs/dbraw/zinc/25/50/07/970255007.db2.gz HOTIIVOXPLQCFV-UHFFFAOYSA-N 1 2 230.271 1.749 20 0 BDADLO CCOc1ncc(-c2c[nH+]cn2C)cc1OC ZINC001243071852 970283630 /nfs/dbraw/zinc/28/36/30/970283630.db2.gz HJNHMGUIPJLCEC-UHFFFAOYSA-N 1 2 233.271 1.889 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCOC(C)(C)C2)CCC1 ZINC001255523865 970286069 /nfs/dbraw/zinc/28/60/69/970286069.db2.gz KUAMMWDSBRQXPB-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001170105568 970305010 /nfs/dbraw/zinc/30/50/10/970305010.db2.gz RMNQPJGQJILQBB-ZJUUUORDSA-N 1 2 211.305 1.860 20 0 BDADLO Cc1cc(C)c(Nc2cccnc2C(N)=O)c[nH+]1 ZINC001213507992 970327488 /nfs/dbraw/zinc/32/74/88/970327488.db2.gz IXSXATKOBJWFTE-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1cc(C)c(Nc2cnc(N)cn2)c[nH+]1 ZINC001213507866 970327993 /nfs/dbraw/zinc/32/79/93/970327993.db2.gz GUKFFTUVNWAZJZ-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1cncc(C)n1 ZINC001157460294 970329984 /nfs/dbraw/zinc/32/99/84/970329984.db2.gz VEGYIVAZFNPZLY-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO COC[C@H](C)[NH2+]C1(C(=O)OC)CCCC1 ZINC001255557619 970335004 /nfs/dbraw/zinc/33/50/04/970335004.db2.gz XLBYMGJYWCZGTE-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO Cc1c[nH+]cc(Nc2nccn3cnnc23)c1C ZINC001213525044 970346964 /nfs/dbraw/zinc/34/69/64/970346964.db2.gz LTVOUTUEIZBCDV-UHFFFAOYSA-N 1 2 240.270 1.880 20 0 BDADLO COC[C@H](C)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001255576917 970378805 /nfs/dbraw/zinc/37/88/05/970378805.db2.gz SQSYBRPBZSXVJH-JTQLQIEISA-N 1 2 248.317 1.437 20 0 BDADLO CN(Cc1cncs1)c1cc(N)nc[nH+]1 ZINC000400292916 970569035 /nfs/dbraw/zinc/56/90/35/970569035.db2.gz PRLUZDUHGWIPAD-UHFFFAOYSA-N 1 2 221.289 1.152 20 0 BDADLO CC[C@@H]1C[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205633 970575220 /nfs/dbraw/zinc/57/52/20/970575220.db2.gz ZXIQICGCJYRVBT-GARJFASQSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@@H]1C[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205633 970575231 /nfs/dbraw/zinc/57/52/31/970575231.db2.gz ZXIQICGCJYRVBT-GARJFASQSA-N 1 2 249.301 1.646 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001609888113 970584694 /nfs/dbraw/zinc/58/46/94/970584694.db2.gz DLOKHTUTWCLFEA-JQWIXIFHSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001609888113 970584699 /nfs/dbraw/zinc/58/46/99/970584699.db2.gz DLOKHTUTWCLFEA-JQWIXIFHSA-N 1 2 240.347 1.456 20 0 BDADLO Cc1nc(N[C@](C)(C(N)=O)C(C)C)cc[nH+]1 ZINC000304481852 970605220 /nfs/dbraw/zinc/60/52/20/970605220.db2.gz BAFRBSNUWICPOM-NSHDSACASA-N 1 2 222.292 1.097 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)CCC1CC1)CC2 ZINC001170257740 970638993 /nfs/dbraw/zinc/63/89/93/970638993.db2.gz MUJRURCMMGBAGZ-UHFFFAOYSA-N 1 2 245.326 1.739 20 0 BDADLO COc1cccc(C[C@H](C)[NH2+][C@H]2CCOC2=O)c1 ZINC001256143982 970670980 /nfs/dbraw/zinc/67/09/80/970670980.db2.gz LKFVPFGROJSENU-GWCFXTLKSA-N 1 2 249.310 1.531 20 0 BDADLO CC(C)c1cccc(N2C[C@H](O)C[C@@H]2CO)[nH+]1 ZINC001170285589 970701824 /nfs/dbraw/zinc/70/18/24/970701824.db2.gz BTQVPXKYHORPJW-GHMZBOCLSA-N 1 2 236.315 1.137 20 0 BDADLO C[C@@H](O)CCCC(=O)OCc1c[nH+]cn1C ZINC001222593965 972594064 /nfs/dbraw/zinc/59/40/64/972594064.db2.gz AJECPULWJDXUMY-SECBINFHSA-N 1 2 226.276 1.014 20 0 BDADLO COC[C@@H](C)OC[C@@H](C)OCc1c[nH+]cn1C ZINC001222599791 972598489 /nfs/dbraw/zinc/59/84/89/972598489.db2.gz FVWPFFKCBTTYTH-GHMZBOCLSA-N 1 2 242.319 1.377 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1CCOC(C)(C)C1 ZINC001222599833 972600663 /nfs/dbraw/zinc/60/06/63/972600663.db2.gz GRONWMPPPBIWEW-NSHDSACASA-N 1 2 224.304 1.894 20 0 BDADLO FC(F)C(F)(F)CN1CCn2c[nH+]cc2C1 ZINC001327526181 972601987 /nfs/dbraw/zinc/60/19/87/972601987.db2.gz TVRZIAKBOBWWQC-UHFFFAOYSA-N 1 2 237.200 1.599 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@H]2C2CCOCC2)n[nH]1 ZINC001327519141 972609623 /nfs/dbraw/zinc/60/96/23/972609623.db2.gz JZHFTCBJMDFMLA-NSHDSACASA-N 1 2 236.319 1.196 20 0 BDADLO c1nc(C[N@H+]2CCC[C@H]2C2CCOCC2)n[nH]1 ZINC001327519141 972609629 /nfs/dbraw/zinc/60/96/29/972609629.db2.gz JZHFTCBJMDFMLA-NSHDSACASA-N 1 2 236.319 1.196 20 0 BDADLO CN1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144169748 972667752 /nfs/dbraw/zinc/66/77/52/972667752.db2.gz UMFYSMRRVWTJTM-UHFFFAOYSA-N 1 2 230.315 1.310 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196306 972671105 /nfs/dbraw/zinc/67/11/05/972671105.db2.gz BMJTZKOWEVRVAZ-SECBINFHSA-N 1 2 249.289 1.516 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196306 972671111 /nfs/dbraw/zinc/67/11/11/972671111.db2.gz BMJTZKOWEVRVAZ-SECBINFHSA-N 1 2 249.289 1.516 20 0 BDADLO COc1ncc(C[NH+]2CC=CC2)cc1F ZINC001144450668 972826654 /nfs/dbraw/zinc/82/66/54/972826654.db2.gz BGGWLDLRZXFDDT-UHFFFAOYSA-N 1 2 208.236 1.601 20 0 BDADLO COC(=O)[C@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001223068465 972832899 /nfs/dbraw/zinc/83/28/99/972832899.db2.gz PQSQVQPQWCNPAY-GFCCVEGCSA-N 1 2 235.283 1.231 20 0 BDADLO C[C@H]1CN(Cc2[nH+]cn3ccccc23)CC[C@H]1O ZINC001144614838 972891224 /nfs/dbraw/zinc/89/12/24/972891224.db2.gz AANMTVZGIZUIDQ-SMDDNHRTSA-N 1 2 245.326 1.537 20 0 BDADLO Cc1cc(CO[C@@H]2CCOC2=O)cc(C)[nH+]1 ZINC001223420054 973054668 /nfs/dbraw/zinc/05/46/68/973054668.db2.gz HGYRADIOFXAFGZ-LLVKDONJSA-N 1 2 221.256 1.531 20 0 BDADLO CCCN(CCC)C(=O)Cc1cc[nH+]c(N)c1 ZINC001160861564 973089426 /nfs/dbraw/zinc/08/94/26/973089426.db2.gz VBKDBOVLTCIVOZ-UHFFFAOYSA-N 1 2 235.331 1.855 20 0 BDADLO C[C@@H](C(=O)N1CC2CC1(C)C2)n1cc[nH+]c1 ZINC001328527110 973126527 /nfs/dbraw/zinc/12/65/27/973126527.db2.gz XZTBWMSBOZRPCU-BMQDGWLCSA-N 1 2 219.288 1.455 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1ccccn1)C2 ZINC001204062127 973186965 /nfs/dbraw/zinc/18/69/65/973186965.db2.gz GPTPJVZXKXVDAC-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC001204062127 973187006 /nfs/dbraw/zinc/18/70/06/973187006.db2.gz GPTPJVZXKXVDAC-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)no1 ZINC001328613983 973193984 /nfs/dbraw/zinc/19/39/84/973193984.db2.gz XPALDQVRKJXNNG-WPRPVWTQSA-N 1 2 239.319 1.986 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C2CC=CC2)[nH+]1 ZINC001146702591 973201044 /nfs/dbraw/zinc/20/10/44/973201044.db2.gz QGLAHSRQGWEYDO-UHFFFAOYSA-N 1 2 219.288 1.343 20 0 BDADLO CC[C@H](CC(F)F)C(=O)NCCc1[nH]cc[nH+]1 ZINC001146981397 973350470 /nfs/dbraw/zinc/35/04/70/973350470.db2.gz KJBOMPRMTLERCL-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO CC(C)n1cnc(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001328813470 973358656 /nfs/dbraw/zinc/35/86/56/973358656.db2.gz IGNXXHQUAHDDEO-SECBINFHSA-N 1 2 248.290 1.255 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1nc(C3CC3)cs1)C2 ZINC001276952563 973468660 /nfs/dbraw/zinc/46/86/60/973468660.db2.gz PQBDZBPHBIXKQZ-UHFFFAOYSA-N 1 2 249.383 1.910 20 0 BDADLO C[N@H+]1CCC12CN(Cc1nc(C3CC3)cs1)C2 ZINC001276952563 973468675 /nfs/dbraw/zinc/46/86/75/973468675.db2.gz PQBDZBPHBIXKQZ-UHFFFAOYSA-N 1 2 249.383 1.910 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1c[nH]cn1 ZINC001147247210 973477045 /nfs/dbraw/zinc/47/70/45/973477045.db2.gz UPFGIRZTYGJFLQ-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC(n2cc[nH+]c2)CC1 ZINC001147254073 973483247 /nfs/dbraw/zinc/48/32/47/973483247.db2.gz ODSYXOWLOLRREP-UHFFFAOYSA-N 1 2 245.286 1.084 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CCO1 ZINC001329104952 973483854 /nfs/dbraw/zinc/48/38/54/973483854.db2.gz KAHOVJIIKDJITM-VWYCJHECSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CCO1 ZINC001329104947 973486069 /nfs/dbraw/zinc/48/60/69/973486069.db2.gz KAHOVJIIKDJITM-MXWKQRLJSA-N 1 2 249.314 1.259 20 0 BDADLO c1cn(Cc2nnc([C@@H]3CCCCO3)o2)c[nH+]1 ZINC001329107852 973490541 /nfs/dbraw/zinc/49/05/41/973490541.db2.gz LQGLQNLEIFQSGC-VIFPVBQESA-N 1 2 234.259 1.556 20 0 BDADLO C[C@H](C(=O)N1Cc2cccnc2C1)n1cc[nH+]c1 ZINC001329159671 973528023 /nfs/dbraw/zinc/52/80/23/973528023.db2.gz DGLANXXFQCSHBX-SNVBAGLBSA-N 1 2 242.282 1.382 20 0 BDADLO C[C@@H](CC(C)(C)O)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001329286278 973639206 /nfs/dbraw/zinc/63/92/06/973639206.db2.gz AMXNUQIZKGRFFF-UWVGGRQHSA-N 1 2 239.319 1.110 20 0 BDADLO CC1(COC2C[NH+](Cc3ccccc3)C2)COC1 ZINC001224468836 973678454 /nfs/dbraw/zinc/67/84/54/973678454.db2.gz MISSGHFCZVQSLN-UHFFFAOYSA-N 1 2 247.338 1.924 20 0 BDADLO C[C@@H](C(=O)NCCC(C)(C)F)n1cc[nH+]c1 ZINC001329402700 973743057 /nfs/dbraw/zinc/74/30/57/973743057.db2.gz NYVKNTDZRWRYBM-VIFPVBQESA-N 1 2 227.283 1.699 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000234888952 973778176 /nfs/dbraw/zinc/77/81/76/973778176.db2.gz MCYWLXACJUFIPD-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000234888952 973778168 /nfs/dbraw/zinc/77/81/68/973778168.db2.gz MCYWLXACJUFIPD-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1csnn1 ZINC000128451877 973802671 /nfs/dbraw/zinc/80/26/71/973802671.db2.gz NNOXOIVMUFGVGW-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1csnn1 ZINC000128451877 973802683 /nfs/dbraw/zinc/80/26/83/973802683.db2.gz NNOXOIVMUFGVGW-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1cccnc1)n1cc[nH+]c1 ZINC000044853348 973826113 /nfs/dbraw/zinc/82/61/13/973826113.db2.gz UWZWHGOQBCFKNJ-NSHDSACASA-N 1 2 244.298 1.498 20 0 BDADLO CCc1ccccc1C(=O)NC1C[NH+](C)C1 ZINC001148416303 973839782 /nfs/dbraw/zinc/83/97/82/973839782.db2.gz JCONMKGFEOXJTP-UHFFFAOYSA-N 1 2 218.300 1.293 20 0 BDADLO C/C=C\[C@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001148505626 973853049 /nfs/dbraw/zinc/85/30/49/973853049.db2.gz MRQHVGBFNLBFRY-ZMWSMAPVSA-N 1 2 231.255 1.210 20 0 BDADLO CC(=O)c1cccc(N2CCn3c[nH+]cc3C2)n1 ZINC001329732653 973897362 /nfs/dbraw/zinc/89/73/62/973897362.db2.gz MDKUBWNZNAXABT-UHFFFAOYSA-N 1 2 242.282 1.501 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171398104 974008519 /nfs/dbraw/zinc/00/85/19/974008519.db2.gz VFZFCFNUIQPRNG-JTQLQIEISA-N 1 2 237.274 1.446 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc(C)n2)C[C@@H]1F ZINC001204065228 974021263 /nfs/dbraw/zinc/02/12/63/974021263.db2.gz AFRMHZDFRDSZBK-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc(C)n2)C[C@@H]1F ZINC001204065228 974021274 /nfs/dbraw/zinc/02/12/74/974021274.db2.gz AFRMHZDFRDSZBK-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094282817 974062774 /nfs/dbraw/zinc/06/27/74/974062774.db2.gz GNRRFCBNQKHLNH-UHFFFAOYSA-N 1 2 236.319 1.503 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@@H]1COC(=O)O1 ZINC001224963420 974103013 /nfs/dbraw/zinc/10/30/13/974103013.db2.gz NAOJKWNJFOZUKF-SECBINFHSA-N 1 2 245.275 1.722 20 0 BDADLO CCOC(=[NH2+])CCCCOC(COC)COC ZINC001224964132 974107463 /nfs/dbraw/zinc/10/74/63/974107463.db2.gz UXEPGNBEIMCGIU-UHFFFAOYSA-N 1 2 247.335 1.848 20 0 BDADLO COC1C[NH+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171793557 974185326 /nfs/dbraw/zinc/18/53/26/974185326.db2.gz MRRYJASJPRAWSD-JTQLQIEISA-N 1 2 221.275 1.624 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC/C=C/C1CC1 ZINC001330461202 974268683 /nfs/dbraw/zinc/26/86/83/974268683.db2.gz KDCONYCRZRJIHZ-OWOJBTEDSA-N 1 2 219.288 1.425 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC/C=C/C1CC1 ZINC001330461202 974268696 /nfs/dbraw/zinc/26/86/96/974268696.db2.gz KDCONYCRZRJIHZ-OWOJBTEDSA-N 1 2 219.288 1.425 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc[nH]c1 ZINC000179650114 974331071 /nfs/dbraw/zinc/33/10/71/974331071.db2.gz GYWANDMCTNBSGA-GFCCVEGCSA-N 1 2 236.315 1.932 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc[nH]c1 ZINC000179650114 974331078 /nfs/dbraw/zinc/33/10/78/974331078.db2.gz GYWANDMCTNBSGA-GFCCVEGCSA-N 1 2 236.315 1.932 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H]2CC=CC[C@@H]2C1)n1cc[nH+]c1 ZINC001330668545 974396869 /nfs/dbraw/zinc/39/68/69/974396869.db2.gz NSJSGFJARRSBFM-RWMBFGLXSA-N 1 2 245.326 1.869 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216819 974440120 /nfs/dbraw/zinc/44/01/20/974440120.db2.gz OTTBJEBFMAYODT-YEJSDXFRSA-N 1 2 241.331 1.626 20 0 BDADLO CCc1cc(C(=O)OC)ccc1OC1C[NH+](C)C1 ZINC001225414725 974474217 /nfs/dbraw/zinc/47/42/17/974474217.db2.gz JKRDELHVVWRFLO-UHFFFAOYSA-N 1 2 249.310 1.728 20 0 BDADLO Cc1ncsc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001330816847 974486366 /nfs/dbraw/zinc/48/63/66/974486366.db2.gz DNLBKSLUWKQKCK-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO COCc1cc(C[NH2+]Cc2cccnc2)no1 ZINC001330817667 974487102 /nfs/dbraw/zinc/48/71/02/974487102.db2.gz NTSVUOMNTWAOAR-UHFFFAOYSA-N 1 2 233.271 1.506 20 0 BDADLO COC(=O)C1([NH2+][C@H]2COC(C)(C)C2)CCCC1 ZINC001172272258 974489000 /nfs/dbraw/zinc/48/90/00/974489000.db2.gz WVVNZQNAWCQLGZ-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO CCNC(=O)c1ccccc1OC1C[NH+](C)C1 ZINC001225487462 974526289 /nfs/dbraw/zinc/52/62/89/974526289.db2.gz SBZPYAYCUSUWEX-UHFFFAOYSA-N 1 2 234.299 1.129 20 0 BDADLO CCOC(=O)C[N@H+](C1CC1)[C@H]1COC(C)(C)C1 ZINC001172295059 974565740 /nfs/dbraw/zinc/56/57/40/974565740.db2.gz QQILVKWCQLXPSA-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@@H+](C1CC1)[C@H]1COC(C)(C)C1 ZINC001172295059 974565750 /nfs/dbraw/zinc/56/57/50/974565750.db2.gz QQILVKWCQLXPSA-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCOC2(CCCC2)C1 ZINC001331090265 974597208 /nfs/dbraw/zinc/59/72/08/974597208.db2.gz PACPIFCLLSJICQ-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)n1cccc1 ZINC001331198313 974639932 /nfs/dbraw/zinc/63/99/32/974639932.db2.gz WOAVYPADOIADIW-SNVBAGLBSA-N 1 2 232.287 1.099 20 0 BDADLO CC[NH+]1CC(Oc2cccc(C(=O)OC)c2)C1 ZINC001225680109 974641045 /nfs/dbraw/zinc/64/10/45/974641045.db2.gz MJAVHANKPHCCHR-UHFFFAOYSA-N 1 2 235.283 1.556 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3n[nH]cc3c2)C1 ZINC001225719704 974659021 /nfs/dbraw/zinc/65/90/21/974659021.db2.gz GRXZLQRYRMFOKD-GFCCVEGCSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3n[nH]cc3c2)C1 ZINC001225719704 974659025 /nfs/dbraw/zinc/65/90/25/974659025.db2.gz GRXZLQRYRMFOKD-GFCCVEGCSA-N 1 2 247.298 1.272 20 0 BDADLO c1[nH+]cn2c1CN(C[C@@H]1CC[C@H](C3CC3)O1)CC2 ZINC001331252500 974660628 /nfs/dbraw/zinc/66/06/28/974660628.db2.gz GCJMFUMIWXVOSW-UONOGXRCSA-N 1 2 247.342 1.656 20 0 BDADLO c1[nH+]cn2c1CN(C[C@H]1CC[C@@H](C3CC3)O1)CC2 ZINC001331252499 974660693 /nfs/dbraw/zinc/66/06/93/974660693.db2.gz GCJMFUMIWXVOSW-KGLIPLIRSA-N 1 2 247.342 1.656 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001172429408 974706693 /nfs/dbraw/zinc/70/66/93/974706693.db2.gz XWSYRDYANVNYMH-JTQLQIEISA-N 1 2 223.320 1.551 20 0 BDADLO CCOCC[C@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001172429408 974706697 /nfs/dbraw/zinc/70/66/97/974706697.db2.gz XWSYRDYANVNYMH-JTQLQIEISA-N 1 2 223.320 1.551 20 0 BDADLO CC(C)OCC[C@@H](C)[NH2+]CC(=O)OC(C)C ZINC001172433124 974717951 /nfs/dbraw/zinc/71/79/51/974717951.db2.gz GLWVNVCCSSCDFN-LLVKDONJSA-N 1 2 231.336 1.731 20 0 BDADLO COC(=O)C1([NH2+][C@H](C)CCOC(C)C)CCC1 ZINC001172435006 974749237 /nfs/dbraw/zinc/74/92/37/974749237.db2.gz WXXUKMAFACITOB-LLVKDONJSA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H](CC)CC(C)C)[C@@H](C)O ZINC001172396734 974751498 /nfs/dbraw/zinc/75/14/98/974751498.db2.gz WXJVEOIIHVVNDR-GRYCIOLGSA-N 1 2 245.363 1.713 20 0 BDADLO CC(C)OCC[C@@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001172445042 974805408 /nfs/dbraw/zinc/80/54/08/974805408.db2.gz WPSKWBFIUMMWTB-LLVKDONJSA-N 1 2 235.331 1.996 20 0 BDADLO CC(C)OCC[C@@H](C)[N@H+]1Cc2cncnc2C1 ZINC001172445042 974805413 /nfs/dbraw/zinc/80/54/13/974805413.db2.gz WPSKWBFIUMMWTB-LLVKDONJSA-N 1 2 235.331 1.996 20 0 BDADLO CC(C)OC[C@H](C)[NH2+]Cc1csnn1 ZINC001331742580 974810467 /nfs/dbraw/zinc/81/04/67/974810467.db2.gz QWENNMNIUPWNBE-QMMMGPOBSA-N 1 2 215.322 1.441 20 0 BDADLO CC[NH+](CC)C[C@@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226154896 974811688 /nfs/dbraw/zinc/81/16/88/974811688.db2.gz AVOQOTLIHUCZSA-SNVBAGLBSA-N 1 2 239.319 1.600 20 0 BDADLO Cc1ccc2oc(=O)cc(OC3C[NH+](C)C3)c2c1 ZINC001226159620 974814904 /nfs/dbraw/zinc/81/49/04/974814904.db2.gz SDAYLBDCWSZFQJ-UHFFFAOYSA-N 1 2 245.278 1.794 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)CCOCC(C)C ZINC001172462535 974828412 /nfs/dbraw/zinc/82/84/12/974828412.db2.gz QXXYNZOETVSKBB-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001172611798 974886378 /nfs/dbraw/zinc/88/63/78/974886378.db2.gz QQWAUIFHMRQCEL-LMLFDSFASA-N 1 2 247.285 1.710 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)C(F)F)n1cc[nH+]c1 ZINC001331988507 974908621 /nfs/dbraw/zinc/90/86/21/974908621.db2.gz BZNHCCLOTZIXGB-SFYZADRCSA-N 1 2 231.246 1.604 20 0 BDADLO CC[NH+]1CC(Oc2cc(C(=O)OC)ccc2C)C1 ZINC001226488012 974926831 /nfs/dbraw/zinc/92/68/31/974926831.db2.gz BJOBSOPNQIDGKY-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172826038 974947833 /nfs/dbraw/zinc/94/78/33/974947833.db2.gz NPWDLLLGIFEWDS-ZDUSSCGKSA-N 1 2 233.311 1.615 20 0 BDADLO CC[NH+]1CC(Oc2ccc3cc[nH]c3n2)C1 ZINC001226805155 975091574 /nfs/dbraw/zinc/09/15/74/975091574.db2.gz REEYURMOGRFFGW-UHFFFAOYSA-N 1 2 217.272 1.646 20 0 BDADLO CC[NH+]1CC(Oc2cc(F)cc(OC)c2)C1 ZINC001226881111 975134426 /nfs/dbraw/zinc/13/44/26/975134426.db2.gz LCFZEKKSIVUBJY-UHFFFAOYSA-N 1 2 225.263 1.917 20 0 BDADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001095077484 975159264 /nfs/dbraw/zinc/15/92/64/975159264.db2.gz GUJQCQMKHTVSGN-MDZLAQPJSA-N 1 2 249.314 1.224 20 0 BDADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001095077484 975159277 /nfs/dbraw/zinc/15/92/77/975159277.db2.gz GUJQCQMKHTVSGN-MDZLAQPJSA-N 1 2 249.314 1.224 20 0 BDADLO C[C@H](C(=O)NC(C)(C)c1ncc[nH]1)n1cc[nH+]c1 ZINC001332644012 975240075 /nfs/dbraw/zinc/24/00/75/975240075.db2.gz WUGCDAYTLIOVRQ-SECBINFHSA-N 1 2 247.302 1.219 20 0 BDADLO Cn1c(=O)cc(OC2C[NH+](C)C2)c2ccccc21 ZINC001227089557 975259666 /nfs/dbraw/zinc/25/96/66/975259666.db2.gz QGRQTPOEQLVFLJ-UHFFFAOYSA-N 1 2 244.294 1.231 20 0 BDADLO Cc1cccc(F)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC001332946331 975334721 /nfs/dbraw/zinc/33/47/21/975334721.db2.gz SOUNTKMBLRSCLJ-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO CC[NH+]1CC(Oc2ccc(O)cc2C)C1 ZINC001227451581 975427367 /nfs/dbraw/zinc/42/73/67/975427367.db2.gz IHSMJMUAZDIUEF-UHFFFAOYSA-N 1 2 207.273 1.784 20 0 BDADLO CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001333319312 975655351 /nfs/dbraw/zinc/65/53/51/975655351.db2.gz KRGYFUDBZVPBNW-UHFFFAOYSA-N 1 2 215.256 1.845 20 0 BDADLO CCc1nc(N2CC[C@H](C(=O)OC)C2)cc[nH+]1 ZINC001333349336 975689845 /nfs/dbraw/zinc/68/98/45/975689845.db2.gz CXLGLEMJFXCDCV-VIFPVBQESA-N 1 2 235.287 1.038 20 0 BDADLO Cc1ncoc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001333589342 975875309 /nfs/dbraw/zinc/87/53/09/975875309.db2.gz CNHAWDCGIIOCNT-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1ncoc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001333589342 975875319 /nfs/dbraw/zinc/87/53/19/975875319.db2.gz CNHAWDCGIIOCNT-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO CC[NH+]1CC(Oc2cc(O)ccc2C)C1 ZINC001228066789 975885491 /nfs/dbraw/zinc/88/54/91/975885491.db2.gz MCTHPPMFNYOWRZ-UHFFFAOYSA-N 1 2 207.273 1.784 20 0 BDADLO C[NH+]1CC(Oc2cccc3[nH]ccc32)C1 ZINC001228183594 975982837 /nfs/dbraw/zinc/98/28/37/975982837.db2.gz ZKHZUVZGFDJJKE-UHFFFAOYSA-N 1 2 202.257 1.861 20 0 BDADLO Cc1[nH]c2ccc(O[C@@H]3CCOC3=O)cc2[nH+]1 ZINC001228325555 976123743 /nfs/dbraw/zinc/12/37/43/976123743.db2.gz ARUXCGZUGVOSOL-LLVKDONJSA-N 1 2 232.239 1.566 20 0 BDADLO Cn1cnc2cc(OC3C[NH+](C)C3)ccc21 ZINC001228343867 976133475 /nfs/dbraw/zinc/13/34/75/976133475.db2.gz LHXOPEOFJOATDU-UHFFFAOYSA-N 1 2 217.272 1.266 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)nn1 ZINC001333871871 976134843 /nfs/dbraw/zinc/13/48/43/976134843.db2.gz ALNGMCKFSDUZDR-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)nn1 ZINC001333871871 976134851 /nfs/dbraw/zinc/13/48/51/976134851.db2.gz ALNGMCKFSDUZDR-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO COc1cc[nH+]c(Nc2ccccc2C(N)=O)c1 ZINC001173980002 976196802 /nfs/dbraw/zinc/19/68/02/976196802.db2.gz ZGWRBTXHUOLXGT-UHFFFAOYSA-N 1 2 243.266 1.933 20 0 BDADLO O=C(CCF)N1CCC(n2cc[nH+]c2)CC1 ZINC001333994287 976203208 /nfs/dbraw/zinc/20/32/08/976203208.db2.gz IZDMXGAPDRRODF-UHFFFAOYSA-N 1 2 225.267 1.406 20 0 BDADLO CC[N@@H+]1CC[C@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480422 976245777 /nfs/dbraw/zinc/24/57/77/976245777.db2.gz KJUQVZIODQMQPC-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO CC[N@H+]1CC[C@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480422 976245787 /nfs/dbraw/zinc/24/57/87/976245787.db2.gz KJUQVZIODQMQPC-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228481008 976247244 /nfs/dbraw/zinc/24/72/44/976247244.db2.gz UTKZBRJYUSQBCE-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228481008 976247256 /nfs/dbraw/zinc/24/72/56/976247256.db2.gz UTKZBRJYUSQBCE-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nncs1 ZINC001334171726 976345473 /nfs/dbraw/zinc/34/54/73/976345473.db2.gz MQEAUYMRRGZIIM-UTLUCORTSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1nncs1 ZINC001334171726 976345482 /nfs/dbraw/zinc/34/54/82/976345482.db2.gz MQEAUYMRRGZIIM-UTLUCORTSA-N 1 2 241.360 1.519 20 0 BDADLO CC(C)(C(=O)N1CC=CC1)c1c[nH+]c[nH]1 ZINC001334198381 976366659 /nfs/dbraw/zinc/36/66/59/976366659.db2.gz HMVHSYXENANZDX-UHFFFAOYSA-N 1 2 205.261 1.086 20 0 BDADLO CC[NH+]1CC(Oc2ccc3nccnc3c2)C1 ZINC001228605049 976382035 /nfs/dbraw/zinc/38/20/35/976382035.db2.gz XHOGPDDRETYSRN-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C)nc1 ZINC001174280293 976434428 /nfs/dbraw/zinc/43/44/28/976434428.db2.gz BLIHXGCEXFELNT-UHFFFAOYSA-N 1 2 246.270 1.335 20 0 BDADLO C[NH+](C)C1(c2nc(-c3cccc(=O)[nH]3)no2)CC1 ZINC001334416281 976506219 /nfs/dbraw/zinc/50/62/19/976506219.db2.gz QSIUAADLWYMZHN-UHFFFAOYSA-N 1 2 246.270 1.388 20 0 BDADLO Nc1cn(-c2ccc3[nH+]ccn3c2)ccc1=O ZINC001174277756 976508060 /nfs/dbraw/zinc/50/80/60/976508060.db2.gz FAFOYEVSNCGYHK-UHFFFAOYSA-N 1 2 226.239 1.067 20 0 BDADLO COc1nonc1Nc1ccc2[nH+]ccn2c1 ZINC001174277053 976508877 /nfs/dbraw/zinc/50/88/77/976508877.db2.gz FPVOZLUJWSSCMO-UHFFFAOYSA-N 1 2 231.215 1.470 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccnc(Cl)n2)C1 ZINC001228949147 976598634 /nfs/dbraw/zinc/59/86/34/976598634.db2.gz NVGSFZQYSXQTCL-UHFFFAOYSA-N 1 2 227.695 1.601 20 0 BDADLO COc1cc(OC2C[NH+](C)C2)nc2ccccc21 ZINC001229445574 976873282 /nfs/dbraw/zinc/87/32/82/976873282.db2.gz VIJZLLSBGJDDQX-UHFFFAOYSA-N 1 2 244.294 1.936 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2nncn2C)c(C)n1 ZINC001335222031 976890331 /nfs/dbraw/zinc/89/03/31/976890331.db2.gz AAZTWSDGMJUUNK-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1ccns1 ZINC000259842070 976894368 /nfs/dbraw/zinc/89/43/68/976894368.db2.gz YKLWAGJWJCTZIC-SNVBAGLBSA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1CCc1ccns1 ZINC000259842070 976894373 /nfs/dbraw/zinc/89/43/73/976894373.db2.gz YKLWAGJWJCTZIC-SNVBAGLBSA-N 1 2 240.328 1.323 20 0 BDADLO CC(C)c1ocnc1C[N@@H+]1CC[C@@H]1CO ZINC001335245503 976895743 /nfs/dbraw/zinc/89/57/43/976895743.db2.gz XUGGZBMZHHPLIT-SECBINFHSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC001335362778 976998753 /nfs/dbraw/zinc/99/87/53/976998753.db2.gz VXSOEAKJDQASIS-WISYIIOYSA-N 1 2 233.315 1.749 20 0 BDADLO C=CNc1cc[nH+]c2ccc(OC)nc12 ZINC001174783822 977002941 /nfs/dbraw/zinc/00/29/41/977002941.db2.gz NFLMWOLEKLKUQO-UHFFFAOYSA-N 1 2 201.229 1.616 20 0 BDADLO C[C@H](O)C(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229950480 977034832 /nfs/dbraw/zinc/03/48/32/977034832.db2.gz LFOFDGIOMNGVOP-VIFPVBQESA-N 1 2 232.239 1.159 20 0 BDADLO Cc1cc(Nc2[nH+]cc(C)cc2N)n(C)n1 ZINC001174820363 977071609 /nfs/dbraw/zinc/07/16/09/977071609.db2.gz KRUDNQHXORDETE-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO COc1cc(C[N@@H+]2CCn3nccc3C2)ccn1 ZINC001174863505 977130516 /nfs/dbraw/zinc/13/05/16/977130516.db2.gz PKHFMWFJRAHBIB-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cc(C[N@H+]2CCn3nccc3C2)ccn1 ZINC001174863505 977130524 /nfs/dbraw/zinc/13/05/24/977130524.db2.gz PKHFMWFJRAHBIB-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CCc1c(OC2C[NH+](C)C2)cccc1C(=O)OC ZINC001230361985 977197144 /nfs/dbraw/zinc/19/71/44/977197144.db2.gz CIVGHAHGVVNNLB-UHFFFAOYSA-N 1 2 249.310 1.728 20 0 BDADLO CC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230812708 977342798 /nfs/dbraw/zinc/34/27/98/977342798.db2.gz YNMQJBLWTQNKDO-MNOVXSKESA-N 1 2 230.327 1.535 20 0 BDADLO CC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230812708 977342806 /nfs/dbraw/zinc/34/28/06/977342806.db2.gz YNMQJBLWTQNKDO-MNOVXSKESA-N 1 2 230.327 1.535 20 0 BDADLO Cn1[nH]cnc1=[NH+]c1ccc(-n2cccn2)cc1 ZINC001175367455 977396819 /nfs/dbraw/zinc/39/68/19/977396819.db2.gz YSJGLLKPQLTQHN-UHFFFAOYSA-N 1 2 240.270 1.166 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC(C)(C)C1(C)C ZINC001335990503 977409787 /nfs/dbraw/zinc/40/97/87/977409787.db2.gz ZQEQXXCTISMVPH-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO COC(=O)c1ccc(OC2C[NH+](C)C2)c(C)c1C ZINC001230978868 977410222 /nfs/dbraw/zinc/41/02/22/977410222.db2.gz BDTUOHNPMKQJGW-UHFFFAOYSA-N 1 2 249.310 1.783 20 0 BDADLO c1c[nH+]c(-c2ccc(OC[C@H]3COCO3)cc2)[nH]1 ZINC001231082488 977469503 /nfs/dbraw/zinc/46/95/03/977469503.db2.gz WHGREGTTXMBSJM-GFCCVEGCSA-N 1 2 246.266 1.828 20 0 BDADLO C[C@@H](O)CC(=O)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080953 977474315 /nfs/dbraw/zinc/47/43/15/977474315.db2.gz IZJIANQJKKLYBF-SECBINFHSA-N 1 2 246.266 1.753 20 0 BDADLO CCc1ccc(C[NH+]2CC(C(=O)OC)C2)nc1 ZINC001231637745 977653235 /nfs/dbraw/zinc/65/32/35/977653235.db2.gz BKQSDCXUSZSOGA-UHFFFAOYSA-N 1 2 234.299 1.249 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)nc1 ZINC001231640745 977661348 /nfs/dbraw/zinc/66/13/48/977661348.db2.gz MOSGPXDBDGGUOJ-STQMWFEESA-N 1 2 218.300 1.617 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)nc1 ZINC001231640745 977661352 /nfs/dbraw/zinc/66/13/52/977661352.db2.gz MOSGPXDBDGGUOJ-STQMWFEESA-N 1 2 218.300 1.617 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC001594555475 977711652 /nfs/dbraw/zinc/71/16/52/977711652.db2.gz GHROCFLSPXMWSK-MNOVXSKESA-N 1 2 249.314 1.073 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC001594555475 977711665 /nfs/dbraw/zinc/71/16/65/977711665.db2.gz GHROCFLSPXMWSK-MNOVXSKESA-N 1 2 249.314 1.073 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(Cl)c(O)c1 ZINC001231733304 977714787 /nfs/dbraw/zinc/71/47/87/977714787.db2.gz RHDMXNUGJXTYAD-UHFFFAOYSA-N 1 2 242.706 1.223 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(Cl)c(O)c1 ZINC001231733304 977714792 /nfs/dbraw/zinc/71/47/92/977714792.db2.gz RHDMXNUGJXTYAD-UHFFFAOYSA-N 1 2 242.706 1.223 20 0 BDADLO CCOc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231765745 977735599 /nfs/dbraw/zinc/73/55/99/977735599.db2.gz HOXWMBFPOPRZAY-NWDGAFQWSA-N 1 2 234.299 1.453 20 0 BDADLO CCOc1ncccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231765745 977735611 /nfs/dbraw/zinc/73/56/11/977735611.db2.gz HOXWMBFPOPRZAY-NWDGAFQWSA-N 1 2 234.299 1.453 20 0 BDADLO C[C@@H](C(=O)N1CCc2ncccc21)n1cc[nH+]c1 ZINC001336544312 977766224 /nfs/dbraw/zinc/76/62/24/977766224.db2.gz OOBPPPBRICODGV-JTQLQIEISA-N 1 2 242.282 1.428 20 0 BDADLO c1[nH]nc2cc(C[NH+]3CC4(CCO4)C3)ccc12 ZINC001231907395 977792526 /nfs/dbraw/zinc/79/25/26/977792526.db2.gz SUWPBZYKDCFYAU-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO Clc1cccnc1C[NH+]1CC2(C1)CCOC2 ZINC001231958031 977810119 /nfs/dbraw/zinc/81/01/19/977810119.db2.gz IYHDHZGUQGFGAT-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)cc(C)n1 ZINC001232002796 977835937 /nfs/dbraw/zinc/83/59/37/977835937.db2.gz IZCVDQOMIJFXBK-KBPBESRZSA-N 1 2 231.343 1.587 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)cc(C)n1 ZINC001232002796 977835941 /nfs/dbraw/zinc/83/59/41/977835941.db2.gz IZCVDQOMIJFXBK-KBPBESRZSA-N 1 2 231.343 1.587 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cncc(O)c1 ZINC001232043708 977844401 /nfs/dbraw/zinc/84/44/01/977844401.db2.gz KKPZAQMJKJTYAT-SNVBAGLBSA-N 1 2 208.261 1.008 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cncc(O)c1 ZINC001232043708 977844406 /nfs/dbraw/zinc/84/44/06/977844406.db2.gz KKPZAQMJKJTYAT-SNVBAGLBSA-N 1 2 208.261 1.008 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cncc(O)c1 ZINC001232043707 977845823 /nfs/dbraw/zinc/84/58/23/977845823.db2.gz KKPZAQMJKJTYAT-JTQLQIEISA-N 1 2 208.261 1.008 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cncc(O)c1 ZINC001232043707 977845828 /nfs/dbraw/zinc/84/58/28/977845828.db2.gz KKPZAQMJKJTYAT-JTQLQIEISA-N 1 2 208.261 1.008 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cncc(O)c1 ZINC001232039398 977861797 /nfs/dbraw/zinc/86/17/97/977861797.db2.gz QSBQCZJKJZDUJM-PSASIEDQSA-N 1 2 210.252 1.720 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cncc(O)c1 ZINC001232039398 977861798 /nfs/dbraw/zinc/86/17/98/977861798.db2.gz QSBQCZJKJZDUJM-PSASIEDQSA-N 1 2 210.252 1.720 20 0 BDADLO COc1cc[nH+]cc1NC1=CCN(C(C)=O)CC1 ZINC001176029732 977863370 /nfs/dbraw/zinc/86/33/70/977863370.db2.gz IENQVEWGIUESNE-UHFFFAOYSA-N 1 2 247.298 1.638 20 0 BDADLO COc1cc[nH+]cc1Nc1cccnc1C(N)=O ZINC001176117928 977944212 /nfs/dbraw/zinc/94/42/12/977944212.db2.gz DHIARYYSADFGOK-UHFFFAOYSA-N 1 2 244.254 1.328 20 0 BDADLO COc1cc[nH+]cc1Nc1nccnc1OC ZINC001176116650 977944268 /nfs/dbraw/zinc/94/42/68/977944268.db2.gz IHELEKALSVOTBT-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO Cc1scnc1CN1CCc2c([nH+]cn2C)C1 ZINC001232212846 977944420 /nfs/dbraw/zinc/94/44/20/977944420.db2.gz VHZOUYZUZHDWAI-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO COc1cc[nH+]cc1Nc1c(C)cnn1C ZINC001176118384 977947420 /nfs/dbraw/zinc/94/74/20/977947420.db2.gz JLIQUMRSQPHUHG-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO COc1cc[nH+]cc1Nc1c(F)cncc1F ZINC001176119188 977950101 /nfs/dbraw/zinc/95/01/01/977950101.db2.gz NDIHHMBXAPWPIE-UHFFFAOYSA-N 1 2 237.209 1.929 20 0 BDADLO COc1nccc(Nc2c[nH+]ccc2OC)n1 ZINC001176119204 977951961 /nfs/dbraw/zinc/95/19/61/977951961.db2.gz NXAMRIKRPWUVKC-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO Cc1csc(CCC(=O)NC2C[NH+](C)C2)c1 ZINC001176183183 977987114 /nfs/dbraw/zinc/98/71/14/977987114.db2.gz TUQVLZCWHGCJNT-UHFFFAOYSA-N 1 2 238.356 1.419 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCC(F)F)c1 ZINC001336877464 978018403 /nfs/dbraw/zinc/01/84/03/978018403.db2.gz HXKMCHQTLYRCBZ-UHFFFAOYSA-N 1 2 244.241 1.864 20 0 BDADLO COc1cc(C)c(C[N@H+](C2CC2)C2COC2)cn1 ZINC001232352384 978030990 /nfs/dbraw/zinc/03/09/90/978030990.db2.gz AVPDRFZBFSVCQS-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO COc1cc(C)c(C[N@@H+](C2CC2)C2COC2)cn1 ZINC001232352384 978031003 /nfs/dbraw/zinc/03/10/03/978031003.db2.gz AVPDRFZBFSVCQS-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO COc1cc(C)c(C[N@H+](C)CC(C)=O)cn1 ZINC001232349177 978033619 /nfs/dbraw/zinc/03/36/19/978033619.db2.gz WTRJSMZDKYTLFZ-UHFFFAOYSA-N 1 2 222.288 1.419 20 0 BDADLO COc1cc(C)c(C[N@@H+](C)CC(C)=O)cn1 ZINC001232349177 978033633 /nfs/dbraw/zinc/03/36/33/978033633.db2.gz WTRJSMZDKYTLFZ-UHFFFAOYSA-N 1 2 222.288 1.419 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn2cc(F)ccc2n1 ZINC001232414461 978056788 /nfs/dbraw/zinc/05/67/88/978056788.db2.gz BIKRQTNSLOHDIY-LBPRGKRZSA-N 1 2 249.289 1.694 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn2cc(F)ccc2n1 ZINC001232414461 978056801 /nfs/dbraw/zinc/05/68/01/978056801.db2.gz BIKRQTNSLOHDIY-LBPRGKRZSA-N 1 2 249.289 1.694 20 0 BDADLO C[C@H]1C[NH+](Cc2[nH]nc3c2CCC3)C[C@H](C)O1 ZINC001232428277 978062450 /nfs/dbraw/zinc/06/24/50/978062450.db2.gz LNTYVZLKHIRVQZ-UWVGGRQHSA-N 1 2 235.331 1.508 20 0 BDADLO c1cc2n(n1)CC[N@@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001232429956 978069542 /nfs/dbraw/zinc/06/95/42/978069542.db2.gz ITBPYFZEXFQQJD-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO c1cc2n(n1)CC[N@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001232429956 978069551 /nfs/dbraw/zinc/06/95/51/978069551.db2.gz ITBPYFZEXFQQJD-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429731 978072684 /nfs/dbraw/zinc/07/26/84/978072684.db2.gz ZZKDVLKOLDQMOH-JTQLQIEISA-N 1 2 235.331 1.509 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429731 978072693 /nfs/dbraw/zinc/07/26/93/978072693.db2.gz ZZKDVLKOLDQMOH-JTQLQIEISA-N 1 2 235.331 1.509 20 0 BDADLO CC[N@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001336942531 978073034 /nfs/dbraw/zinc/07/30/34/978073034.db2.gz DHZLQDPMDGCHGF-UHFFFAOYSA-N 1 2 217.700 1.534 20 0 BDADLO CC[N@@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001336942531 978073041 /nfs/dbraw/zinc/07/30/41/978073041.db2.gz DHZLQDPMDGCHGF-UHFFFAOYSA-N 1 2 217.700 1.534 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)C[C@]2(C)CO)c[nH+]1 ZINC001232459347 978084139 /nfs/dbraw/zinc/08/41/39/978084139.db2.gz CRLQLHVJVJTBKG-SNVBAGLBSA-N 1 2 245.273 1.310 20 0 BDADLO Cc1[nH]cc(CN2CC(F)(F)C[C@]2(C)CO)[nH+]1 ZINC001232459347 978084150 /nfs/dbraw/zinc/08/41/50/978084150.db2.gz CRLQLHVJVJTBKG-SNVBAGLBSA-N 1 2 245.273 1.310 20 0 BDADLO Cc1ccc(Nc2cnn(CCO)c2)c(C)[nH+]1 ZINC001176471725 978088067 /nfs/dbraw/zinc/08/80/67/978088067.db2.gz GPRBNSTXMSXCAC-UHFFFAOYSA-N 1 2 232.287 1.631 20 0 BDADLO OCCn1cc(Nc2cccn3cc[nH+]c23)cn1 ZINC001176472384 978093287 /nfs/dbraw/zinc/09/32/87/978093287.db2.gz CLARNUZVZZZOTP-UHFFFAOYSA-N 1 2 243.270 1.267 20 0 BDADLO Cc1[nH]c(CN2Cc3ccncc3C2)c[nH+]1 ZINC001232462982 978094232 /nfs/dbraw/zinc/09/42/32/978094232.db2.gz AXOGRXGSYBKUSR-UHFFFAOYSA-N 1 2 214.272 1.629 20 0 BDADLO Cc1[nH]cc(CN2Cc3ccncc3C2)[nH+]1 ZINC001232462982 978094244 /nfs/dbraw/zinc/09/42/44/978094244.db2.gz AXOGRXGSYBKUSR-UHFFFAOYSA-N 1 2 214.272 1.629 20 0 BDADLO Cc1[nH]c(CN2CCC[C@H]2c2cnccn2)c[nH+]1 ZINC001232463179 978110139 /nfs/dbraw/zinc/11/01/39/978110139.db2.gz CZNNPEJCLUXEKC-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001176515714 978113619 /nfs/dbraw/zinc/11/36/19/978113619.db2.gz MATLDWBVQFWQNE-JQWIXIFHSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001176515714 978113629 /nfs/dbraw/zinc/11/36/29/978113629.db2.gz MATLDWBVQFWQNE-JQWIXIFHSA-N 1 2 249.314 1.218 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001337003911 978123643 /nfs/dbraw/zinc/12/36/43/978123643.db2.gz HCADBTLKVPHXDN-HBNTYKKESA-N 1 2 220.272 1.306 20 0 BDADLO COC(C[N@H+](C)Cc1cc(F)ccn1)OC ZINC001232495119 978148541 /nfs/dbraw/zinc/14/85/41/978148541.db2.gz OAEHGOKYDXXCAW-UHFFFAOYSA-N 1 2 228.267 1.271 20 0 BDADLO COC(C[N@@H+](C)Cc1cc(F)ccn1)OC ZINC001232495119 978148544 /nfs/dbraw/zinc/14/85/44/978148544.db2.gz OAEHGOKYDXXCAW-UHFFFAOYSA-N 1 2 228.267 1.271 20 0 BDADLO COc1cc[nH+]c(Nc2cnc3nonc3c2)c1 ZINC001176689280 978152164 /nfs/dbraw/zinc/15/21/64/978152164.db2.gz MEKACZSGPJDJCO-UHFFFAOYSA-N 1 2 243.226 1.765 20 0 BDADLO FCc1cccc(C[N@@H+]2CCCC23COC3)n1 ZINC001232536317 978165809 /nfs/dbraw/zinc/16/58/09/978165809.db2.gz AVJGNZRGLGOLBE-UHFFFAOYSA-N 1 2 236.290 1.916 20 0 BDADLO FCc1cccc(C[N@H+]2CCCC23COC3)n1 ZINC001232536317 978165812 /nfs/dbraw/zinc/16/58/12/978165812.db2.gz AVJGNZRGLGOLBE-UHFFFAOYSA-N 1 2 236.290 1.916 20 0 BDADLO Nc1cc(N2CC[C@@]3(C2)CCCOC3)[nH+]cn1 ZINC001337155145 978187193 /nfs/dbraw/zinc/18/71/93/978187193.db2.gz BLBHUUPVUWQDCQ-GFCCVEGCSA-N 1 2 234.303 1.066 20 0 BDADLO C[C@@]1(F)CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1F ZINC001176829678 978192560 /nfs/dbraw/zinc/19/25/60/978192560.db2.gz XAHITIAOKLHHMD-MWLCHTKSSA-N 1 2 243.257 1.251 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001232616322 978193793 /nfs/dbraw/zinc/19/37/93/978193793.db2.gz ZIXZYIOPNVRYDJ-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001232616322 978193797 /nfs/dbraw/zinc/19/37/97/978193797.db2.gz ZIXZYIOPNVRYDJ-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO CSc1nccc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001176826503 978194769 /nfs/dbraw/zinc/19/47/69/978194769.db2.gz RBWRYOMTMHEJGL-UHFFFAOYSA-N 1 2 249.299 1.103 20 0 BDADLO CCc1ccc(NC(=O)Cc2c[nH]c[nH+]2)c(O)c1 ZINC001176832069 978197987 /nfs/dbraw/zinc/19/79/87/978197987.db2.gz GVMCRUWSYQDFMQ-UHFFFAOYSA-N 1 2 245.282 1.859 20 0 BDADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C2(CC2)C1 ZINC001176878122 978224627 /nfs/dbraw/zinc/22/46/27/978224627.db2.gz WSBVDMIGVDJOSA-LLVKDONJSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1ccc2c(c1)CN(c1cc(N)nc[nH+]1)CC2 ZINC001337222330 978226780 /nfs/dbraw/zinc/22/67/80/978226780.db2.gz XILCXOWFANLNSG-UHFFFAOYSA-N 1 2 240.310 1.930 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCOc1ccccc1 ZINC001176883156 978228829 /nfs/dbraw/zinc/22/88/29/978228829.db2.gz DHLXNGDHVOFBBM-UHFFFAOYSA-N 1 2 245.282 1.426 20 0 BDADLO OCCc1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001232776707 978272123 /nfs/dbraw/zinc/27/21/23/978272123.db2.gz JFASRWLBJXYWLD-UHFFFAOYSA-N 1 2 233.311 1.196 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1nccs1 ZINC001337343616 978297654 /nfs/dbraw/zinc/29/76/54/978297654.db2.gz KQTMGPABPCJLAX-IHWYPQMZSA-N 1 2 248.311 1.206 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)cc(O)c1 ZINC001232878533 978313157 /nfs/dbraw/zinc/31/31/57/978313157.db2.gz OYSQYSKVHJFNNT-CYBMUJFWSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)cc(O)c1 ZINC001232878533 978313171 /nfs/dbraw/zinc/31/31/71/978313171.db2.gz OYSQYSKVHJFNNT-CYBMUJFWSA-N 1 2 249.310 1.838 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC001232879088 978315791 /nfs/dbraw/zinc/31/57/91/978315791.db2.gz BFSDGYXAELSECS-QWHCGFSZSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC001232879088 978315796 /nfs/dbraw/zinc/31/57/96/978315796.db2.gz BFSDGYXAELSECS-QWHCGFSZSA-N 1 2 239.290 1.605 20 0 BDADLO CCC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001337419045 978329996 /nfs/dbraw/zinc/32/99/96/978329996.db2.gz HTHLPKSPOZCMFS-NSHDSACASA-N 1 2 221.304 1.743 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001232921828 978334117 /nfs/dbraw/zinc/33/41/17/978334117.db2.gz OIIRUEJWCIOQRK-KOLCDFICSA-N 1 2 249.314 1.571 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001232921828 978334121 /nfs/dbraw/zinc/33/41/21/978334121.db2.gz OIIRUEJWCIOQRK-KOLCDFICSA-N 1 2 249.314 1.571 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1nccs1 ZINC001597684454 978352256 /nfs/dbraw/zinc/35/22/56/978352256.db2.gz ZCJANZJLEUZVHV-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO C[C@@H]1CCN1C(=O)CN(C)c1cccc[nH+]1 ZINC001177409302 978354532 /nfs/dbraw/zinc/35/45/32/978354532.db2.gz KSWDHFSUXUEYDO-SNVBAGLBSA-N 1 2 219.288 1.139 20 0 BDADLO CC1(CO)C[NH+](Cc2cc(Cl)ncc2O)C1 ZINC001233032214 978415073 /nfs/dbraw/zinc/41/50/73/978415073.db2.gz GUVGYACAEWMKRK-UHFFFAOYSA-N 1 2 242.706 1.255 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001337608962 978429349 /nfs/dbraw/zinc/42/93/49/978429349.db2.gz MRHYCEGESHGWLJ-MWLCHTKSSA-N 1 2 221.304 1.565 20 0 BDADLO F[C@H]1C[N@H+](Cc2nc3ccccn3n2)C[C@@H]2C[C@@H]21 ZINC001233070943 978461077 /nfs/dbraw/zinc/46/10/77/978461077.db2.gz LWBOUHYLFRPJHB-DCAQKATOSA-N 1 2 246.289 1.519 20 0 BDADLO F[C@H]1C[N@@H+](Cc2nc3ccccn3n2)C[C@@H]2C[C@@H]21 ZINC001233070943 978461080 /nfs/dbraw/zinc/46/10/80/978461080.db2.gz LWBOUHYLFRPJHB-DCAQKATOSA-N 1 2 246.289 1.519 20 0 BDADLO COc1ccnc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001177922258 978474949 /nfs/dbraw/zinc/47/49/49/978474949.db2.gz QOSIFCNSPKLOPM-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO C[C@H](C(=O)N1CCn2cccc2C1)n1cc[nH+]c1 ZINC001177922170 978475229 /nfs/dbraw/zinc/47/52/29/978475229.db2.gz OMSAMZSANCRWAY-LLVKDONJSA-N 1 2 244.298 1.288 20 0 BDADLO C[C@H](C(=O)N1C2CCC1CC2)n1cc[nH+]c1 ZINC001177925502 978476492 /nfs/dbraw/zinc/47/64/92/978476492.db2.gz KMESMSKOCLTBSQ-KPPDAEKUSA-N 1 2 219.288 1.598 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1(C(F)(F)F)CC1 ZINC001178000487 978485794 /nfs/dbraw/zinc/48/57/94/978485794.db2.gz QLOVRNWFBUSIHK-UHFFFAOYSA-N 1 2 247.220 1.553 20 0 BDADLO C[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001178000181 978486459 /nfs/dbraw/zinc/48/64/59/978486459.db2.gz AIOTXPQDVZYSBE-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001177998594 978487914 /nfs/dbraw/zinc/48/79/14/978487914.db2.gz VYHMYWOFUROHCV-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c[nH]c1=O ZINC001233196509 978493357 /nfs/dbraw/zinc/49/33/57/978493357.db2.gz VPAFVCOIXRJVIU-SECBINFHSA-N 1 2 238.287 1.089 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)c[nH]c1=O ZINC001233196509 978493362 /nfs/dbraw/zinc/49/33/62/978493362.db2.gz VPAFVCOIXRJVIU-SECBINFHSA-N 1 2 238.287 1.089 20 0 BDADLO Cc1ccc(C[N@H+]2CCCN(C)C(=O)C2)cc1O ZINC001233233935 978507907 /nfs/dbraw/zinc/50/79/07/978507907.db2.gz WGSHRXWORAOJJK-UHFFFAOYSA-N 1 2 248.326 1.365 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1O ZINC001233233935 978507919 /nfs/dbraw/zinc/50/79/19/978507919.db2.gz WGSHRXWORAOJJK-UHFFFAOYSA-N 1 2 248.326 1.365 20 0 BDADLO COCOc1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC001233279142 978528601 /nfs/dbraw/zinc/52/86/01/978528601.db2.gz RLCPUAFFHYGYBP-UHFFFAOYSA-N 1 2 237.299 1.236 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC23COC3)sn1 ZINC001233312341 978540370 /nfs/dbraw/zinc/54/03/70/978540370.db2.gz MYKBFBONCYIERN-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1cc(C[N@H+]2CCCC23COC3)sn1 ZINC001233312341 978540377 /nfs/dbraw/zinc/54/03/77/978540377.db2.gz MYKBFBONCYIERN-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)o1 ZINC001233364782 978571205 /nfs/dbraw/zinc/57/12/05/978571205.db2.gz CBTXOZCGUXGZNJ-UWVGGRQHSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)o1 ZINC001233364782 978571212 /nfs/dbraw/zinc/57/12/12/978571212.db2.gz CBTXOZCGUXGZNJ-UWVGGRQHSA-N 1 2 228.267 1.135 20 0 BDADLO C[N@H+](Cc1cccc2nccn21)C1(C)COC1 ZINC001233363522 978577561 /nfs/dbraw/zinc/57/75/61/978577561.db2.gz KPPFVKBDLRNJAF-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1cccc2nccn21)C1(C)COC1 ZINC001233363522 978577564 /nfs/dbraw/zinc/57/75/64/978577564.db2.gz KPPFVKBDLRNJAF-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO Nc1cccc(CN2C[C@@H](F)C[C@H]2CF)[nH+]1 ZINC001233369064 978583001 /nfs/dbraw/zinc/58/30/01/978583001.db2.gz XSPZBNMCAGNUII-WPRPVWTQSA-N 1 2 227.258 1.546 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@H]2CCC[C@H]2O)[nH+]cn1 ZINC001338009403 978588516 /nfs/dbraw/zinc/58/85/16/978588516.db2.gz CTJGKMLYGANZJI-GMTAPVOTSA-N 1 2 248.330 1.189 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001178565101 978596916 /nfs/dbraw/zinc/59/69/16/978596916.db2.gz RWJDTRBBWFOLJV-CABZTGNLSA-N 1 2 233.315 1.880 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446432 978602892 /nfs/dbraw/zinc/60/28/92/978602892.db2.gz VOAQFXFKBFVLLR-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)/C=C\C1CC1 ZINC001233491885 978613624 /nfs/dbraw/zinc/61/36/24/978613624.db2.gz ZTYQZVOLLVOODG-QMAVJUDZSA-N 1 2 240.322 1.455 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)/C=C\C1CC1 ZINC001233491885 978613631 /nfs/dbraw/zinc/61/36/31/978613631.db2.gz ZTYQZVOLLVOODG-QMAVJUDZSA-N 1 2 240.322 1.455 20 0 BDADLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF)C1CC1 ZINC001233528485 978622797 /nfs/dbraw/zinc/62/27/97/978622797.db2.gz AGPSEBXWVAEKIT-PWSUYJOCSA-N 1 2 242.338 1.535 20 0 BDADLO Cc1ncc(CC(=O)Nc2c(C)c[nH+]cc2C)o1 ZINC001338241798 978639192 /nfs/dbraw/zinc/63/91/92/978639192.db2.gz HRZJGMUUOFHZCA-UHFFFAOYSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cnc(C)nc2)o1 ZINC001178931243 978641919 /nfs/dbraw/zinc/64/19/19/978641919.db2.gz MQTOEIXOKRBBRW-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3cc(OC)ccc32)C1 ZINC001233609388 978648049 /nfs/dbraw/zinc/64/80/49/978648049.db2.gz TZFWMTLPDIALEB-UHFFFAOYSA-N 1 2 247.298 1.654 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cnc(C)nc2)n1 ZINC001178958799 978649682 /nfs/dbraw/zinc/64/96/82/978649682.db2.gz QFXZLDIBTJJKMR-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CC(=O)N1CCc2cc(OC3C[NH+](C)C3)ccc21 ZINC001233642404 978659236 /nfs/dbraw/zinc/65/92/36/978659236.db2.gz HYPYWBOJCJCAEK-UHFFFAOYSA-N 1 2 246.310 1.288 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC(F)(F)C2)c[nH+]1 ZINC001338401486 978674582 /nfs/dbraw/zinc/67/45/82/978674582.db2.gz BEHDFXWFRROBPF-UHFFFAOYSA-N 1 2 243.257 1.404 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C2)ccc1C(=O)[O-] ZINC001600196686 978677073 /nfs/dbraw/zinc/67/70/73/978677073.db2.gz UZBXIPRCFYMHLV-NSHDSACASA-N 1 2 234.299 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H]([NH3+])C2)ccc1C(=O)[O-] ZINC001600196686 978677079 /nfs/dbraw/zinc/67/70/79/978677079.db2.gz UZBXIPRCFYMHLV-NSHDSACASA-N 1 2 234.299 1.226 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(cc[nH]c3=O)c2)C1 ZINC001233720547 978678735 /nfs/dbraw/zinc/67/87/35/978678735.db2.gz SXTAPHSSJLSELE-UHFFFAOYSA-N 1 2 244.294 1.611 20 0 BDADLO Cc1[nH]c(C[NH2+][C@@](C)(CCF)C(=O)[O-])c(C)[nH+]1 ZINC001600691126 978721157 /nfs/dbraw/zinc/72/11/57/978721157.db2.gz BPVMQXBTGZWPLQ-NSHDSACASA-N 1 2 243.282 1.319 20 0 BDADLO Cc1oc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1C(=O)[O-] ZINC001600852489 978739651 /nfs/dbraw/zinc/73/96/51/978739651.db2.gz WSIQRSIYNADZMB-NSHDSACASA-N 1 2 238.287 1.113 20 0 BDADLO CC[NH+]1CC(Oc2ccc(OC(C)C)nc2)C1 ZINC001234046853 978761311 /nfs/dbraw/zinc/76/13/11/978761311.db2.gz SAVPHDTUYIZNMU-UHFFFAOYSA-N 1 2 236.315 1.952 20 0 BDADLO Cc1conc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001338988956 978766312 /nfs/dbraw/zinc/76/63/12/978766312.db2.gz UWZOTXZFKLEACE-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO CC1=NO[C@@](C)(C(=O)Nc2c(C)c[nH+]cc2C)C1 ZINC001338992009 978769162 /nfs/dbraw/zinc/76/91/62/978769162.db2.gz KDEYTIUHKOGTMJ-CYBMUJFWSA-N 1 2 247.298 1.614 20 0 BDADLO [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001601190689 978791207 /nfs/dbraw/zinc/79/12/07/978791207.db2.gz RHHNHHBKFCDQIT-GFCCVEGCSA-N 1 2 248.326 1.698 20 0 BDADLO [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC001601190689 978791215 /nfs/dbraw/zinc/79/12/15/978791215.db2.gz RHHNHHBKFCDQIT-GFCCVEGCSA-N 1 2 248.326 1.698 20 0 BDADLO C=C(F)C(=O)Nc1cccc2[nH+]ccn21 ZINC001180110931 978820425 /nfs/dbraw/zinc/82/04/25/978820425.db2.gz FWEKYKSMUONCDK-UHFFFAOYSA-N 1 2 205.192 1.756 20 0 BDADLO CCc1ccc(N2CCC(CC(N)=O)CC2)[nH+]c1 ZINC001339537248 978864719 /nfs/dbraw/zinc/86/47/19/978864719.db2.gz YPNLJDZXNRCUDU-UHFFFAOYSA-N 1 2 247.342 1.736 20 0 BDADLO O=C([O-])CC1(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001601915237 978866587 /nfs/dbraw/zinc/86/65/87/978866587.db2.gz IABZJJXXMNKYQB-MNOVXSKESA-N 1 2 238.331 1.068 20 0 BDADLO O=C([O-])CC1(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001601915237 978866590 /nfs/dbraw/zinc/86/65/90/978866590.db2.gz IABZJJXXMNKYQB-MNOVXSKESA-N 1 2 238.331 1.068 20 0 BDADLO CCn1ncnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001339573555 978873480 /nfs/dbraw/zinc/87/34/80/978873480.db2.gz AFAHOWKLFPUQQS-NSHDSACASA-N 1 2 246.318 1.336 20 0 BDADLO CCCn1c[nH+]cc1CN1CCO[C@@H](C)C1 ZINC001180368502 978875835 /nfs/dbraw/zinc/87/58/35/978875835.db2.gz MUJOOZUWIMDRPE-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCc1ccc(N(CC)CC(=O)NC)[nH+]c1 ZINC001339611506 978880908 /nfs/dbraw/zinc/88/09/08/978880908.db2.gz VEXQJAFJHRIVED-UHFFFAOYSA-N 1 2 221.304 1.216 20 0 BDADLO CC(=O)Nc1ccc(OC2C[NH+](C(C)C)C2)nc1 ZINC001234647529 978886098 /nfs/dbraw/zinc/88/60/98/978886098.db2.gz LKYHJNHJLRMDCE-UHFFFAOYSA-N 1 2 249.314 1.511 20 0 BDADLO CCc1ccc(N(C)CCOCCO)[nH+]c1 ZINC001339706482 978896487 /nfs/dbraw/zinc/89/64/87/978896487.db2.gz MTFYHEZEWJWOLH-UHFFFAOYSA-N 1 2 224.304 1.089 20 0 BDADLO Cc1cccc(OCC(=O)NC2C[NH+](C)C2)c1C ZINC001180501486 978896666 /nfs/dbraw/zinc/89/66/66/978896666.db2.gz SGAOOPANOZXSLZ-UHFFFAOYSA-N 1 2 248.326 1.112 20 0 BDADLO CCc1ccc(N2CC[C@@H](C3OCCO3)C2)[nH+]c1 ZINC001339824803 978919810 /nfs/dbraw/zinc/91/98/10/978919810.db2.gz TZXRALSSEYGNDK-GFCCVEGCSA-N 1 2 248.326 1.843 20 0 BDADLO O=C1CCC[C@@H]2C[N@@H+](Cc3ncc(F)cn3)C[C@@H]12 ZINC001235023592 978954895 /nfs/dbraw/zinc/95/48/95/978954895.db2.gz QBFVHBRMUPZMJA-MWLCHTKSSA-N 1 2 249.289 1.417 20 0 BDADLO O=C1CCC[C@@H]2C[N@H+](Cc3ncc(F)cn3)C[C@@H]12 ZINC001235023592 978954899 /nfs/dbraw/zinc/95/48/99/978954899.db2.gz QBFVHBRMUPZMJA-MWLCHTKSSA-N 1 2 249.289 1.417 20 0 BDADLO C[N@H+](Cc1ncc(F)cn1)[C@@H]1CCCOC1 ZINC001235023619 978955851 /nfs/dbraw/zinc/95/58/51/978955851.db2.gz QGPBBWVIZIOMID-SNVBAGLBSA-N 1 2 225.267 1.227 20 0 BDADLO C[N@@H+](Cc1ncc(F)cn1)[C@@H]1CCCOC1 ZINC001235023619 978955855 /nfs/dbraw/zinc/95/58/55/978955855.db2.gz QGPBBWVIZIOMID-SNVBAGLBSA-N 1 2 225.267 1.227 20 0 BDADLO C[C@@H](C(=O)N1[C@H](C)CC[C@H]1C)n1cc[nH+]c1 ZINC001340274425 978997843 /nfs/dbraw/zinc/99/78/43/978997843.db2.gz UJHLFNCBQHKNFW-MXWKQRLJSA-N 1 2 221.304 1.844 20 0 BDADLO CC(=O)C[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001181248371 979018447 /nfs/dbraw/zinc/01/84/47/979018447.db2.gz YGSHYMSRJMAAII-VIFPVBQESA-N 1 2 245.282 1.888 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001235331466 979024707 /nfs/dbraw/zinc/02/47/07/979024707.db2.gz GEVHFUBHKKSCBT-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001235331466 979024711 /nfs/dbraw/zinc/02/47/11/979024711.db2.gz GEVHFUBHKKSCBT-WDEREUQCSA-N 1 2 242.269 1.434 20 0 BDADLO CCOc1cc(O)cc(C[NH+]2CC3(COC3)C2)c1 ZINC001235384205 979033621 /nfs/dbraw/zinc/03/36/21/979033621.db2.gz ARFBHYIOLHGVRJ-UHFFFAOYSA-N 1 2 249.310 1.623 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235415775 979039235 /nfs/dbraw/zinc/03/92/35/979039235.db2.gz CNGVGTCJWJSTCP-MRVPVSSYSA-N 1 2 211.696 1.972 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235415775 979039239 /nfs/dbraw/zinc/03/92/39/979039239.db2.gz CNGVGTCJWJSTCP-MRVPVSSYSA-N 1 2 211.696 1.972 20 0 BDADLO COc1cncc(C[N@@H+]2CCCC23COC3)c1C ZINC001235464976 979049500 /nfs/dbraw/zinc/04/95/00/979049500.db2.gz QUCHIKASWUJDCH-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1cncc(C[N@H+]2CCCC23COC3)c1C ZINC001235464976 979049506 /nfs/dbraw/zinc/04/95/06/979049506.db2.gz QUCHIKASWUJDCH-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCOC(C)(C)C1 ZINC001235541177 979084320 /nfs/dbraw/zinc/08/43/20/979084320.db2.gz QMWIGDNATDOBFU-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCOC(C)(C)C1 ZINC001235541177 979084329 /nfs/dbraw/zinc/08/43/29/979084329.db2.gz QMWIGDNATDOBFU-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1[nH+]cn(C)c1CN(C)Cc1ccon1 ZINC001235551772 979092327 /nfs/dbraw/zinc/09/23/27/979092327.db2.gz FERYKVDNVXFVOR-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001235554585 979096500 /nfs/dbraw/zinc/09/65/00/979096500.db2.gz DTAGOABGRAKONG-VHSXEESVSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001235554585 979096514 /nfs/dbraw/zinc/09/65/14/979096514.db2.gz DTAGOABGRAKONG-VHSXEESVSA-N 1 2 223.320 1.338 20 0 BDADLO O=C([O-])c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001602346282 979107288 /nfs/dbraw/zinc/10/72/88/979107288.db2.gz VQOLAEJXPYERIH-CYBMUJFWSA-N 1 2 248.326 1.617 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCO1 ZINC001181580289 979166963 /nfs/dbraw/zinc/16/69/63/979166963.db2.gz WTMJLCRBBYBBCY-MRVPVSSYSA-N 1 2 217.228 1.062 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1CCO1 ZINC001181589940 979188117 /nfs/dbraw/zinc/18/81/17/979188117.db2.gz SJJXRHJGZVBMTP-LLVKDONJSA-N 1 2 235.287 1.013 20 0 BDADLO CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)OC ZINC001341037278 979206110 /nfs/dbraw/zinc/20/61/10/979206110.db2.gz WYUZKSMJSUKWOZ-SECBINFHSA-N 1 2 239.323 1.062 20 0 BDADLO CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)OC ZINC001341037278 979206119 /nfs/dbraw/zinc/20/61/19/979206119.db2.gz WYUZKSMJSUKWOZ-SECBINFHSA-N 1 2 239.323 1.062 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)c[nH]c1=O ZINC001341187463 979271094 /nfs/dbraw/zinc/27/10/94/979271094.db2.gz MTXAQZMSJXISNF-SECBINFHSA-N 1 2 246.270 1.492 20 0 BDADLO O=C(Nc1c[nH]c2ccccc12)[C@@H]1CSC[NH2+]1 ZINC001341366436 979355696 /nfs/dbraw/zinc/35/56/96/979355696.db2.gz IASUVSWXLVHJLQ-NSHDSACASA-N 1 2 247.323 1.769 20 0 BDADLO CCOC(=O)c1ccsc1C[N@H+](C)CCO ZINC001236255427 979474906 /nfs/dbraw/zinc/47/49/06/979474906.db2.gz CLPBZILPRQFDJF-UHFFFAOYSA-N 1 2 243.328 1.349 20 0 BDADLO CCOC(=O)c1ccsc1C[N@@H+](C)CCO ZINC001236255427 979474907 /nfs/dbraw/zinc/47/49/07/979474907.db2.gz CLPBZILPRQFDJF-UHFFFAOYSA-N 1 2 243.328 1.349 20 0 BDADLO COc1cc(C[N@H+](C)CCO)c(Cl)cn1 ZINC001236258302 979475898 /nfs/dbraw/zinc/47/58/98/979475898.db2.gz BOJBHNWUMYIAED-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO COc1cc(C[N@@H+](C)CCO)c(Cl)cn1 ZINC001236258302 979475902 /nfs/dbraw/zinc/47/59/02/979475902.db2.gz BOJBHNWUMYIAED-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO CC(C)Oc1cc(C[N@H+](C)CCO)c(F)cn1 ZINC001236259218 979480694 /nfs/dbraw/zinc/48/06/94/979480694.db2.gz QTQJJZPJZYZUJH-UHFFFAOYSA-N 1 2 242.294 1.432 20 0 BDADLO CC(C)Oc1cc(C[N@@H+](C)CCO)c(F)cn1 ZINC001236259218 979480697 /nfs/dbraw/zinc/48/06/97/979480697.db2.gz QTQJJZPJZYZUJH-UHFFFAOYSA-N 1 2 242.294 1.432 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2C[C@H]2C2CC2)o1 ZINC001341625430 979496527 /nfs/dbraw/zinc/49/65/27/979496527.db2.gz LAABQLKBDJKXBE-DTWKUNHWSA-N 1 2 207.277 1.645 20 0 BDADLO CC(=O)c1ncccc1NC(=O)C1([NH+](C)C)CC1 ZINC001182593024 979565878 /nfs/dbraw/zinc/56/58/78/979565878.db2.gz MDPBSTKVTYCMJX-UHFFFAOYSA-N 1 2 247.298 1.317 20 0 BDADLO C[C@](CCF)([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC001604139601 979584156 /nfs/dbraw/zinc/58/41/56/979584156.db2.gz NRASRURLEVXZTH-LLVKDONJSA-N 1 2 243.282 1.066 20 0 BDADLO C[C@H]1C[N@H+](CC2OC=CC2=S)CCC1=O ZINC001237179894 979827943 /nfs/dbraw/zinc/82/79/43/979827943.db2.gz GZFWFMQYVDCXKG-QMMMGPOBSA-N 1 2 225.313 1.979 20 0 BDADLO C[C@H]1C[N@@H+](CC2OC=CC2=S)CCC1=O ZINC001237179894 979827947 /nfs/dbraw/zinc/82/79/47/979827947.db2.gz GZFWFMQYVDCXKG-QMMMGPOBSA-N 1 2 225.313 1.979 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)CCF ZINC001342659999 979858249 /nfs/dbraw/zinc/85/82/49/979858249.db2.gz JLKQEZAQDAXLEA-UHFFFAOYSA-N 1 2 214.240 1.256 20 0 BDADLO CCc1cccc(C)c1C[N@@H+]1CCNC(=O)C1 ZINC001237333471 979870525 /nfs/dbraw/zinc/87/05/25/979870525.db2.gz KOBHUIICUOVUQI-UHFFFAOYSA-N 1 2 232.327 1.489 20 0 BDADLO CCc1cccc(C)c1C[N@H+]1CCNC(=O)C1 ZINC001237333471 979870532 /nfs/dbraw/zinc/87/05/32/979870532.db2.gz KOBHUIICUOVUQI-UHFFFAOYSA-N 1 2 232.327 1.489 20 0 BDADLO C[C@@H]1CCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183931314 979903293 /nfs/dbraw/zinc/90/32/93/979903293.db2.gz FKNVOOCYKNJTFH-SECBINFHSA-N 1 2 219.288 1.217 20 0 BDADLO Nc1ccc(CCC(=O)N2CCCC2)c[nH+]1 ZINC001183929223 979910878 /nfs/dbraw/zinc/91/08/78/979910878.db2.gz LHLDKVXKXKPOEI-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)C(F)(F)C1 ZINC001237597347 979944518 /nfs/dbraw/zinc/94/45/18/979944518.db2.gz NNGFDECYNWVULA-UHFFFAOYSA-N 1 2 243.257 1.313 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](F)C[C@H]1CF ZINC001237587716 979946480 /nfs/dbraw/zinc/94/64/80/979946480.db2.gz IBKQFJPHSBYBJR-UWVGGRQHSA-N 1 2 229.274 1.785 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC001343020022 979978714 /nfs/dbraw/zinc/97/87/14/979978714.db2.gz MHCGQRFHLQGESG-GUBZILKMSA-N 1 2 236.319 1.520 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)[nH+]cn1 ZINC001343020022 979978717 /nfs/dbraw/zinc/97/87/17/979978717.db2.gz MHCGQRFHLQGESG-GUBZILKMSA-N 1 2 236.319 1.520 20 0 BDADLO Cc1coc(C[NH+]2CC(C3COC3)C2)n1 ZINC001237634308 979980572 /nfs/dbraw/zinc/98/05/72/979980572.db2.gz FEBRTGLYRUNDGA-UHFFFAOYSA-N 1 2 208.261 1.061 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC001237638947 979986102 /nfs/dbraw/zinc/98/61/02/979986102.db2.gz IVUOMFAYIFUJLS-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1coc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC001237638947 979986110 /nfs/dbraw/zinc/98/61/10/979986110.db2.gz IVUOMFAYIFUJLS-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CCN(Cc1nc(C)co1)C1C[NH+](C)C1 ZINC001237641921 979995639 /nfs/dbraw/zinc/99/56/39/979995639.db2.gz GMFDGBQIACYBIV-UHFFFAOYSA-N 1 2 209.293 1.119 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCCCC12COC2 ZINC001237651851 980015471 /nfs/dbraw/zinc/01/54/71/980015471.db2.gz ZXCVMTGLMUVGFR-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCCCC12COC2 ZINC001237651851 980015481 /nfs/dbraw/zinc/01/54/81/980015481.db2.gz ZXCVMTGLMUVGFR-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1ccsc1C ZINC001237975093 980117090 /nfs/dbraw/zinc/11/70/90/980117090.db2.gz TZZWDQVNXUICOQ-LBPRGKRZSA-N 1 2 241.356 1.904 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1ccsc1C ZINC001237975093 980117094 /nfs/dbraw/zinc/11/70/94/980117094.db2.gz TZZWDQVNXUICOQ-LBPRGKRZSA-N 1 2 241.356 1.904 20 0 BDADLO COC1(C)C[NH+](Cc2cc(O)ccc2C)C1 ZINC001238092248 980143057 /nfs/dbraw/zinc/14/30/57/980143057.db2.gz HEIULWORWHFSFK-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001343558933 980149922 /nfs/dbraw/zinc/14/99/22/980149922.db2.gz FWORMIJBHSXPRD-LLVKDONJSA-N 1 2 221.304 1.917 20 0 BDADLO Cc1cccc(-c2nnc(Cn3cc[nH+]c3)o2)n1 ZINC001343616716 980165151 /nfs/dbraw/zinc/16/51/51/980165151.db2.gz JLXHMBBHSLIFOQ-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO Cc1noc(C)c1NC(=O)Nc1c[nH+]c(C)n1C ZINC001185144379 980177705 /nfs/dbraw/zinc/17/77/05/980177705.db2.gz DBZHPMMQGNHDJU-UHFFFAOYSA-N 1 2 249.274 1.977 20 0 BDADLO CCN(C(=O)[C@H]1CCC(C)(C)C1)C1C[NH+](C)C1 ZINC001185167554 980187211 /nfs/dbraw/zinc/18/72/11/980187211.db2.gz LMJAFIPXWDVINM-NSHDSACASA-N 1 2 238.375 1.975 20 0 BDADLO Cc1ncncc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001238164798 980191400 /nfs/dbraw/zinc/19/14/00/980191400.db2.gz PIBGNKKRKYOZKC-KCJUWKMLSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1ncncc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001238164798 980191404 /nfs/dbraw/zinc/19/14/04/980191404.db2.gz PIBGNKKRKYOZKC-KCJUWKMLSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCOC(C)(C)C1 ZINC001238165688 980197666 /nfs/dbraw/zinc/19/76/66/980197666.db2.gz VQFADXRXOLMWTH-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ncncc1C[N@H+]1CCOC(C)(C)C1 ZINC001238165688 980197673 /nfs/dbraw/zinc/19/76/73/980197673.db2.gz VQFADXRXOLMWTH-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCOCC1(C)C ZINC001238170659 980199229 /nfs/dbraw/zinc/19/92/29/980199229.db2.gz OJZPEXNFUHUWDO-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ncncc1C[N@H+]1CCOCC1(C)C ZINC001238170659 980199236 /nfs/dbraw/zinc/19/92/36/980199236.db2.gz OJZPEXNFUHUWDO-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)Oc1cncc(C[NH+]2CC(CO)C2)c1 ZINC001238469264 980271565 /nfs/dbraw/zinc/27/15/65/980271565.db2.gz QLFPKMXFGHAYOJ-UHFFFAOYSA-N 1 2 236.315 1.293 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cnc(C2CC2)c(C)c1 ZINC001238619277 980301420 /nfs/dbraw/zinc/30/14/20/980301420.db2.gz DTZSSDNRZFMHQT-UHFFFAOYSA-N 1 2 247.342 1.445 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cnc(C2CC2)c(C)c1 ZINC001238619277 980301431 /nfs/dbraw/zinc/30/14/31/980301431.db2.gz DTZSSDNRZFMHQT-UHFFFAOYSA-N 1 2 247.342 1.445 20 0 BDADLO Cc1ccnc(CNC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001344016896 980317314 /nfs/dbraw/zinc/31/73/14/980317314.db2.gz OBMKTRUQEHKCND-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO CN(C)c1cccc(C[NH+]2CCC(=O)CC2)c1 ZINC000074374499 980322904 /nfs/dbraw/zinc/32/29/04/980322904.db2.gz CWPIIQJPMCLDRP-UHFFFAOYSA-N 1 2 232.327 1.918 20 0 BDADLO Cc1cc(NCC2OCCCO2)nc(C2CC2)[nH+]1 ZINC001186158106 980340128 /nfs/dbraw/zinc/34/01/28/980340128.db2.gz ZXEJYYONSIRWMU-UHFFFAOYSA-N 1 2 249.314 1.837 20 0 BDADLO Nc1[nH+]cccc1-c1cnn(C(F)F)c1 ZINC001238864482 980350238 /nfs/dbraw/zinc/35/02/38/980350238.db2.gz ANGZZMSHLMEKDU-UHFFFAOYSA-N 1 2 210.187 1.922 20 0 BDADLO CC(C)(COC(=O)C1(C)COC1)n1cc[nH+]c1 ZINC001344112260 980350411 /nfs/dbraw/zinc/35/04/11/980350411.db2.gz VXRWCBKSBWCOKL-UHFFFAOYSA-N 1 2 238.287 1.198 20 0 BDADLO CNc1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc[nH+]1 ZINC000691660307 980378430 /nfs/dbraw/zinc/37/84/30/980378430.db2.gz GTVDGUIWHWDUEX-NXEZZACHSA-N 1 2 234.303 1.498 20 0 BDADLO CNc1cc(N[C@H]2CO[C@@H](C3CC3)C2)[nH+]cn1 ZINC000691660307 980378440 /nfs/dbraw/zinc/37/84/40/980378440.db2.gz GTVDGUIWHWDUEX-NXEZZACHSA-N 1 2 234.303 1.498 20 0 BDADLO CC[NH+]1CCN(C(=O)c2nc(C)cs2)CC1 ZINC000074720348 980396028 /nfs/dbraw/zinc/39/60/28/980396028.db2.gz HFLSWJIIEBEYRL-UHFFFAOYSA-N 1 2 239.344 1.229 20 0 BDADLO O[C@H]1C[N@H+](Cc2cnc(Cl)cn2)CC12CC2 ZINC001344557228 980423580 /nfs/dbraw/zinc/42/35/80/980423580.db2.gz SOIJTVSLUYQDRI-VIFPVBQESA-N 1 2 239.706 1.087 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)CC12CC2 ZINC001344557228 980423586 /nfs/dbraw/zinc/42/35/86/980423586.db2.gz SOIJTVSLUYQDRI-VIFPVBQESA-N 1 2 239.706 1.087 20 0 BDADLO CC(C)c1ocnc1C[N@H+](C)CCOCCO ZINC001344610810 980444625 /nfs/dbraw/zinc/44/46/25/980444625.db2.gz KZQMFLNFZUSRCK-UHFFFAOYSA-N 1 2 242.319 1.239 20 0 BDADLO CC(C)c1ocnc1C[N@@H+](C)CCOCCO ZINC001344610810 980444628 /nfs/dbraw/zinc/44/46/28/980444628.db2.gz KZQMFLNFZUSRCK-UHFFFAOYSA-N 1 2 242.319 1.239 20 0 BDADLO Nc1cn2ccc(-c3cnoc3)cc2[nH+]1 ZINC001239176937 980486808 /nfs/dbraw/zinc/48/68/08/980486808.db2.gz CKLMVRCSRZMSON-UHFFFAOYSA-N 1 2 200.201 1.572 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1=COCC1 ZINC001344971167 980510703 /nfs/dbraw/zinc/51/07/03/980510703.db2.gz HNEJJPHBLYCATI-UHFFFAOYSA-N 1 2 222.244 1.250 20 0 BDADLO COCc1cncc(CC[NH+]2CCOCC2)c1 ZINC001250277855 980650374 /nfs/dbraw/zinc/65/03/74/980650374.db2.gz QIFYRMKWYQGTQB-UHFFFAOYSA-N 1 2 236.315 1.103 20 0 BDADLO CCN(C(=O)c1c(C)cccc1O)C1C[NH+](C)C1 ZINC001188648715 980677549 /nfs/dbraw/zinc/67/75/49/980677549.db2.gz MDMOVEBFKMOFMT-UHFFFAOYSA-N 1 2 248.326 1.477 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc(C)[nH+]2)c(C)[nH]1 ZINC001189004613 980731910 /nfs/dbraw/zinc/73/19/10/980731910.db2.gz RTURNNVOKVOPGY-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO NC(=O)c1ccc(-c2cccc3[nH+]ccn32)cn1 ZINC001239555807 980737186 /nfs/dbraw/zinc/73/71/86/980737186.db2.gz SLIPSZFMJJSJHH-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO CNc1ccc(CCn2cc[nH+]c2)c(F)n1 ZINC001250316315 980747185 /nfs/dbraw/zinc/74/71/85/980747185.db2.gz IITOHALFWATRPH-UHFFFAOYSA-N 1 2 220.251 1.702 20 0 BDADLO c1coc(C[NH+]2CCN(c3cncnc3)CC2)c1 ZINC001203283286 980761565 /nfs/dbraw/zinc/76/15/65/980761565.db2.gz COQPFMWDWYHQAM-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CCNc1cc(CNC(=O)NC(C)C)cc[nH+]1 ZINC001346368633 980821409 /nfs/dbraw/zinc/82/14/09/980821409.db2.gz XPIRXBVUQFMAFX-UHFFFAOYSA-N 1 2 236.319 1.721 20 0 BDADLO O=C([C@H]1C[C@@H]1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001346389936 980824922 /nfs/dbraw/zinc/82/49/22/980824922.db2.gz PXCHGAYNFUAGGV-UWVGGRQHSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@@H]1C[C@@H]1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001346389939 980825911 /nfs/dbraw/zinc/82/59/11/980825911.db2.gz PXCHGAYNFUAGGV-ZJUUUORDSA-N 1 2 237.278 1.474 20 0 BDADLO CCCCNC(=O)Cn1c[nH+]c(CC)c1 ZINC001190103978 980848329 /nfs/dbraw/zinc/84/83/29/980848329.db2.gz NEFIMKRHWNGYIQ-UHFFFAOYSA-N 1 2 209.293 1.362 20 0 BDADLO C[C@H]1COCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001346661475 980877229 /nfs/dbraw/zinc/87/72/29/980877229.db2.gz CBSCVOTXWCNWOS-IUCAKERBSA-N 1 2 225.292 1.271 20 0 BDADLO COC[C@H]1CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001190977577 980954455 /nfs/dbraw/zinc/95/44/55/980954455.db2.gz RPDGBOIZVNDOIB-ZJUUUORDSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@H]1CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC001190977577 980954460 /nfs/dbraw/zinc/95/44/60/980954460.db2.gz RPDGBOIZVNDOIB-ZJUUUORDSA-N 1 2 241.360 1.958 20 0 BDADLO CNC(=O)c1ccc(/C(C)=C/C=C/[NH3+])cn1 ZINC001239850909 980989235 /nfs/dbraw/zinc/98/92/35/980989235.db2.gz COSPGRFVYJIKHY-DDEWIXKASA-N 1 2 217.272 1.317 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc(C(N)=O)cc1 ZINC001239871728 981014375 /nfs/dbraw/zinc/01/43/75/981014375.db2.gz NYGZWRLPMQHZOB-CPJVMOPCSA-N 1 2 202.257 1.661 20 0 BDADLO CNc1cc(CNC(=O)NCC2CCC2)cc[nH+]1 ZINC001347284434 981033990 /nfs/dbraw/zinc/03/39/90/981033990.db2.gz SHJAZDSUVWLMAL-UHFFFAOYSA-N 1 2 248.330 1.723 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001347329334 981048874 /nfs/dbraw/zinc/04/88/74/981048874.db2.gz JXTIHQGKZWQIAX-MNOVXSKESA-N 1 2 237.347 1.761 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001347346164 981052961 /nfs/dbraw/zinc/05/29/61/981052961.db2.gz RXKCSDLAEXBTFR-URLYPYJESA-N 1 2 233.315 1.125 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1cnoc1 ZINC001203237848 981084758 /nfs/dbraw/zinc/08/47/58/981084758.db2.gz LHUWONJQKRSIBN-UHFFFAOYSA-N 1 2 214.228 1.904 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001347488275 981095129 /nfs/dbraw/zinc/09/51/29/981095129.db2.gz NTDGUTONBZCCHT-GXFFZTMASA-N 1 2 247.342 1.847 20 0 BDADLO Cc1conc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001347646625 981136077 /nfs/dbraw/zinc/13/60/77/981136077.db2.gz ACBJZNYDKNUZQR-SNVBAGLBSA-N 1 2 248.286 1.447 20 0 BDADLO Nc1cnccc1-c1ccc2[nH+]ccn2c1 ZINC001240217974 981166621 /nfs/dbraw/zinc/16/66/21/981166621.db2.gz UOIMANXXZFALTN-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Fc1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240217976 981167326 /nfs/dbraw/zinc/16/73/26/981167326.db2.gz UUFGRDUQCDYWGJ-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CCO2)CC1 ZINC001347803776 981179628 /nfs/dbraw/zinc/17/96/28/981179628.db2.gz AKBQBVAPBZKBOM-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO CC(C)(CNC(=O)[C@H]1C[C@H]1F)n1cc[nH+]c1 ZINC001347832136 981187123 /nfs/dbraw/zinc/18/71/23/981187123.db2.gz OYJLVCIZRRQPEU-DTWKUNHWSA-N 1 2 225.267 1.092 20 0 BDADLO CCc1ccc(N2CCC(C(N)=O)CC2)[nH+]c1 ZINC001347854431 981198290 /nfs/dbraw/zinc/19/82/90/981198290.db2.gz ASLXKEDMIJKXRJ-UHFFFAOYSA-N 1 2 233.315 1.346 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cn(C)nc1C ZINC001347972066 981231563 /nfs/dbraw/zinc/23/15/63/981231563.db2.gz NARGTFJROFLLRQ-UHFFFAOYSA-N 1 2 248.286 1.302 20 0 BDADLO CNc1cc(CNC(=O)NC[C@@H]2C[C@@H]2C)cc[nH+]1 ZINC001348068641 981271889 /nfs/dbraw/zinc/27/18/89/981271889.db2.gz NIOIKTGIGMIBGJ-ONGXEEELSA-N 1 2 248.330 1.579 20 0 BDADLO Cc1n[nH]c(CNC(=O)[C@H](C)n2cc[nH+]c2)c1C ZINC001348120734 981289286 /nfs/dbraw/zinc/28/92/86/981289286.db2.gz NKPJHZCSUMOGRX-JTQLQIEISA-N 1 2 247.302 1.100 20 0 BDADLO CCN(C(=O)CCc1[nH+]ccn1C)C(C)C ZINC001348549342 981389083 /nfs/dbraw/zinc/38/90/83/981389083.db2.gz SXHNGCMGZOAPOW-UHFFFAOYSA-N 1 2 223.320 1.610 20 0 BDADLO CCCCOC(=O)N1CC[NH+](CCOC)CC1 ZINC001193678584 981408674 /nfs/dbraw/zinc/40/86/74/981408674.db2.gz YCUXEWOHJPPMEJ-UHFFFAOYSA-N 1 2 244.335 1.187 20 0 BDADLO CCCCOC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001193722765 981415334 /nfs/dbraw/zinc/41/53/34/981415334.db2.gz YRCQJJNKNOQHSO-NSHDSACASA-N 1 2 246.326 1.947 20 0 BDADLO CCCCOC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001193722765 981415337 /nfs/dbraw/zinc/41/53/37/981415337.db2.gz YRCQJJNKNOQHSO-NSHDSACASA-N 1 2 246.326 1.947 20 0 BDADLO CCn1cccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001348728262 981429705 /nfs/dbraw/zinc/42/97/05/981429705.db2.gz TZHSLDXGOVZXBZ-UHFFFAOYSA-N 1 2 246.314 1.214 20 0 BDADLO Nc1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240510168 981432808 /nfs/dbraw/zinc/43/28/08/981432808.db2.gz DRYVNXSOGOUUHR-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO CCCCCOC(=O)NCCc1[nH+]ccn1C ZINC001193794924 981446687 /nfs/dbraw/zinc/44/66/87/981446687.db2.gz RRJPCCNMVGGIEK-UHFFFAOYSA-N 1 2 239.319 1.879 20 0 BDADLO COC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001193894738 981498065 /nfs/dbraw/zinc/49/80/65/981498065.db2.gz XQLRXKCMDRMBSZ-UHFFFAOYSA-N 1 2 234.246 1.168 20 0 BDADLO COC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001193903078 981506779 /nfs/dbraw/zinc/50/67/79/981506779.db2.gz UADZNZGWNKSDCY-NSHDSACASA-N 1 2 236.271 1.691 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cccc(F)c2)C1 ZINC001203784026 981509746 /nfs/dbraw/zinc/50/97/46/981509746.db2.gz AFROLYMHYVIEBG-WCQYABFASA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cccc(F)c2)C1 ZINC001203784026 981509752 /nfs/dbraw/zinc/50/97/52/981509752.db2.gz AFROLYMHYVIEBG-WCQYABFASA-N 1 2 241.281 1.978 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001349266552 981525772 /nfs/dbraw/zinc/52/57/72/981525772.db2.gz QIQCFNWXGAXKQL-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO CCON(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001349467666 981560351 /nfs/dbraw/zinc/56/03/51/981560351.db2.gz OXARRIYVPHHMBT-UHFFFAOYSA-N 1 2 238.291 1.216 20 0 BDADLO CCC[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001349649164 981610429 /nfs/dbraw/zinc/61/04/29/981610429.db2.gz LHLPYRUBSXJPPK-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO C[C@@H](CC(=O)NCCC(F)F)n1cc[nH+]c1 ZINC001349696207 981658402 /nfs/dbraw/zinc/65/84/02/981658402.db2.gz ZGXABLVIOOPDSX-QMMMGPOBSA-N 1 2 231.246 1.606 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CO[C@H](C)C1 ZINC001350346164 981934650 /nfs/dbraw/zinc/93/46/50/981934650.db2.gz ZGRKFNHUICIOPR-NXEZZACHSA-N 1 2 238.287 1.371 20 0 BDADLO C[C@H](c1nc(-c2ccnn2C)no1)n1cc[nH+]c1 ZINC001350357451 981939846 /nfs/dbraw/zinc/93/98/46/981939846.db2.gz REBJYEGDMCNWJL-MRVPVSSYSA-N 1 2 244.258 1.276 20 0 BDADLO Cc1cccnc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001585594762 981940383 /nfs/dbraw/zinc/94/03/83/981940383.db2.gz PYIFXKBICGMKQQ-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)cs1 ZINC001586117160 981972865 /nfs/dbraw/zinc/97/28/65/981972865.db2.gz LYSYXUNMBZQNJO-UHFFFAOYSA-N 1 2 221.285 1.961 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@@H]1F ZINC001586694712 982010329 /nfs/dbraw/zinc/01/03/29/982010329.db2.gz CVWBZIQHORWTJK-DTWKUNHWSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(NCC[N@@H+]1CCC[C@@H](F)C1)OCCF ZINC001194986548 982019439 /nfs/dbraw/zinc/01/94/39/982019439.db2.gz WBIAICJLHOUGOA-SECBINFHSA-N 1 2 236.262 1.116 20 0 BDADLO O=C(NCC[N@H+]1CCC[C@@H](F)C1)OCCF ZINC001194986548 982019448 /nfs/dbraw/zinc/01/94/48/982019448.db2.gz WBIAICJLHOUGOA-SECBINFHSA-N 1 2 236.262 1.116 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC001350804598 982090310 /nfs/dbraw/zinc/09/03/10/982090310.db2.gz SISWFVHYURYKJQ-TXEJJXNPSA-N 1 2 247.342 1.611 20 0 BDADLO CCNC(=S)Nc1cccc2[nH+]c(C)cn21 ZINC001195300652 982187608 /nfs/dbraw/zinc/18/76/08/982187608.db2.gz XJFUDYNTNMSZSY-UHFFFAOYSA-N 1 2 234.328 1.949 20 0 BDADLO CCNC(=S)Nc1ccn2cc[nH+]c2c1 ZINC001195314288 982195940 /nfs/dbraw/zinc/19/59/40/982195940.db2.gz OHLSVEWEBSNARC-UHFFFAOYSA-N 1 2 220.301 1.641 20 0 BDADLO CCNC(=S)Nc1ccc2[nH+]c(C)cn2c1 ZINC001195310509 982196086 /nfs/dbraw/zinc/19/60/86/982196086.db2.gz YXMUZPAZYLTORX-UHFFFAOYSA-N 1 2 234.328 1.949 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1ccnn(C)c1=O ZINC001241251934 982392272 /nfs/dbraw/zinc/39/22/72/982392272.db2.gz OFIILAUUQQGBPT-UHFFFAOYSA-N 1 2 244.298 1.217 20 0 BDADLO Cn1c[nH+]cc1-c1ccccc1[S@@](C)=O ZINC001241339780 982503516 /nfs/dbraw/zinc/50/35/16/982503516.db2.gz XDFZZPSOTNABQK-OAHLLOKOSA-N 1 2 220.297 1.825 20 0 BDADLO CCOc1ccc(C)c(C(=O)NC2C[NH+](C)C2)c1 ZINC001197144331 982517782 /nfs/dbraw/zinc/51/77/82/982517782.db2.gz HZRCSMQJNDWWME-UHFFFAOYSA-N 1 2 248.326 1.438 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001300085700 982561147 /nfs/dbraw/zinc/56/11/47/982561147.db2.gz FBVRGNLBQGSEJU-MXWKQRLJSA-N 1 2 249.314 1.026 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnn(C(C)C)c1 ZINC001300093279 982562055 /nfs/dbraw/zinc/56/20/55/982562055.db2.gz IYBCTBVCIAJRNQ-LLVKDONJSA-N 1 2 236.319 1.497 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnn(C(C)C)c1 ZINC001300093279 982562061 /nfs/dbraw/zinc/56/20/61/982562061.db2.gz IYBCTBVCIAJRNQ-LLVKDONJSA-N 1 2 236.319 1.497 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2n[nH]cc2c1 ZINC001241423794 982573276 /nfs/dbraw/zinc/57/32/76/982573276.db2.gz LFSDAVLWLXXJDI-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO COc1nscc1C[N@@H+]1CCOC[C@H](C)C1 ZINC001198000227 982640371 /nfs/dbraw/zinc/64/03/71/982640371.db2.gz FEOSGCTZMBXLJN-SECBINFHSA-N 1 2 242.344 1.620 20 0 BDADLO COc1nscc1C[N@H+]1CCOC[C@H](C)C1 ZINC001198000227 982640380 /nfs/dbraw/zinc/64/03/80/982640380.db2.gz FEOSGCTZMBXLJN-SECBINFHSA-N 1 2 242.344 1.620 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(CO)cc1 ZINC001241557509 982780052 /nfs/dbraw/zinc/78/00/52/982780052.db2.gz GBVPQHWMQJXQSL-UHFFFAOYSA-N 1 2 200.241 1.823 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(O)cn2)[C@H](C)CO1 ZINC000132611841 982946995 /nfs/dbraw/zinc/94/69/95/982946995.db2.gz KYBYFDDENGUAQC-NXEZZACHSA-N 1 2 222.288 1.396 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(O)cn2)[C@H](C)CO1 ZINC000132611841 982947006 /nfs/dbraw/zinc/94/70/06/982947006.db2.gz KYBYFDDENGUAQC-NXEZZACHSA-N 1 2 222.288 1.396 20 0 BDADLO CCCCNC(=S)Nc1cc[nH+]c(C)c1 ZINC001200444708 982997654 /nfs/dbraw/zinc/99/76/54/982997654.db2.gz NCDSJPUMKWCNBB-UHFFFAOYSA-N 1 2 223.345 1.898 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001251982731 983067157 /nfs/dbraw/zinc/06/71/57/983067157.db2.gz GIQHIDLDBYUESB-FZMZJTMJSA-N 1 2 233.311 1.773 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC001251982731 983067166 /nfs/dbraw/zinc/06/71/66/983067166.db2.gz GIQHIDLDBYUESB-FZMZJTMJSA-N 1 2 233.311 1.773 20 0 BDADLO Cc1cc(=O)[nH]c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC001354070089 983136506 /nfs/dbraw/zinc/13/65/06/983136506.db2.gz JXBWKILUFSVZLO-SECBINFHSA-N 1 2 233.275 1.188 20 0 BDADLO COC(=O)c1ncccc1Nc1ccc(N)[nH+]c1 ZINC001201272574 983171382 /nfs/dbraw/zinc/17/13/82/983171382.db2.gz QHGWPKFIJBDFKK-UHFFFAOYSA-N 1 2 244.254 1.589 20 0 BDADLO Cc1cnc(Nc2ccc(N)[nH+]c2)nc1C ZINC001201272463 983172164 /nfs/dbraw/zinc/17/21/64/983172164.db2.gz ORYVDBANHPFHLY-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CCc1ccc(N2C[C@@H](C)[C@@H](O)C2)[nH+]c1 ZINC001354150924 983174384 /nfs/dbraw/zinc/17/43/84/983174384.db2.gz HFPFRDGDRGTPII-KOLCDFICSA-N 1 2 206.289 1.461 20 0 BDADLO Nc1ccc(Nc2cncc(O)c2)c[nH+]1 ZINC001201275876 983175414 /nfs/dbraw/zinc/17/54/14/983175414.db2.gz MBVKBKNLRIBQPP-UHFFFAOYSA-N 1 2 202.217 1.508 20 0 BDADLO COc1cc(Nc2ccc(N)[nH+]c2)no1 ZINC001201276668 983177160 /nfs/dbraw/zinc/17/71/60/983177160.db2.gz ZJELHWOKKWNXTF-UHFFFAOYSA-N 1 2 206.205 1.404 20 0 BDADLO Nc1ccc(Nc2cnn(C(F)F)c2)c[nH+]1 ZINC001201278568 983178536 /nfs/dbraw/zinc/17/85/36/983178536.db2.gz CTTSFZYDIYSTKM-UHFFFAOYSA-N 1 2 225.202 1.999 20 0 BDADLO Nc1cc(N[C@@H](CCO)c2ccco2)[nH+]cn1 ZINC001354164674 983178986 /nfs/dbraw/zinc/17/89/86/983178986.db2.gz XRFYMTKDIGFESN-QMMMGPOBSA-N 1 2 234.259 1.187 20 0 BDADLO Cc1cc(F)cc(N2CC(O)(C3CC3)C2)[nH+]1 ZINC001354170954 983181532 /nfs/dbraw/zinc/18/15/32/983181532.db2.gz HBVWWEAALZNASA-UHFFFAOYSA-N 1 2 222.263 1.490 20 0 BDADLO Nc1cc(N2CCC[C@@]3(CC3(F)F)C2)[nH+]cn1 ZINC001354226886 983208099 /nfs/dbraw/zinc/20/80/99/983208099.db2.gz JWYLHVTUSQGMNH-SNVBAGLBSA-N 1 2 240.257 1.684 20 0 BDADLO CC(C)C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201478274 983279556 /nfs/dbraw/zinc/27/95/56/983279556.db2.gz FAJKXIMLYQKWIS-UHFFFAOYSA-N 1 2 233.315 1.386 20 0 BDADLO CC(C)C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201478274 983279565 /nfs/dbraw/zinc/27/95/65/983279565.db2.gz FAJKXIMLYQKWIS-UHFFFAOYSA-N 1 2 233.315 1.386 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC1CSC1 ZINC001354342541 983288121 /nfs/dbraw/zinc/28/81/21/983288121.db2.gz LCLFKTFANPTLQL-UHFFFAOYSA-N 1 2 249.343 1.528 20 0 BDADLO CCC(CC)C[N@@H+]1CCN(C)C[C@@H]1C(=O)OC ZINC001201534693 983288999 /nfs/dbraw/zinc/28/89/99/983288999.db2.gz NVXZZRBGOAUSRN-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCC(CC)C[N@H+]1CCN(C)C[C@@H]1C(=O)OC ZINC001201534693 983289006 /nfs/dbraw/zinc/28/90/06/983289006.db2.gz NVXZZRBGOAUSRN-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ccc2nccn2n1 ZINC001242085572 983334098 /nfs/dbraw/zinc/33/40/98/983334098.db2.gz YAQDIWIILGSATH-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccn2ncnc12 ZINC001242096189 983337087 /nfs/dbraw/zinc/33/70/87/983337087.db2.gz ZIFQRLCTGOEBGF-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001201582891 983347317 /nfs/dbraw/zinc/34/73/17/983347317.db2.gz JSAUCWPSKWJLMX-UHFFFAOYSA-N 1 2 228.292 1.086 20 0 BDADLO CC[N@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001201582891 983347323 /nfs/dbraw/zinc/34/73/23/983347323.db2.gz JSAUCWPSKWJLMX-UHFFFAOYSA-N 1 2 228.292 1.086 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCCOC2)[nH+]cn1 ZINC001355223003 983450228 /nfs/dbraw/zinc/45/02/28/983450228.db2.gz GVRNUXDAEOZEJA-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCCOC2)nc[nH+]1 ZINC001355223003 983450241 /nfs/dbraw/zinc/45/02/41/983450241.db2.gz GVRNUXDAEOZEJA-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CCn1cc(C[N@@H+]2CCn3cncc3C2)c(C)n1 ZINC001355321928 983474558 /nfs/dbraw/zinc/47/45/58/983474558.db2.gz UNQBLPWOJGBZPT-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CCn1cc(C[N@H+]2CCn3cncc3C2)c(C)n1 ZINC001355321928 983474562 /nfs/dbraw/zinc/47/45/62/983474562.db2.gz UNQBLPWOJGBZPT-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO Cc1cccnc1C[NH2+][C@@H](C)c1nncn1C ZINC000161806723 983540718 /nfs/dbraw/zinc/54/07/18/983540718.db2.gz SPACYNDROJOUDE-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1ccccc1NC(=O)NC1C[NH+](C)C1 ZINC001202191671 983595624 /nfs/dbraw/zinc/59/56/24/983595624.db2.gz WYGDBYDXVYGSMZ-UHFFFAOYSA-N 1 2 219.288 1.431 20 0 BDADLO CSC[C@@H](O)C[NH2+]CC(F)(F)C(F)F ZINC001357167518 983668728 /nfs/dbraw/zinc/66/87/28/983668728.db2.gz WLZITTYORXHNNI-YFKPBYRVSA-N 1 2 235.246 1.200 20 0 BDADLO CC(C)(C)NC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001202490382 983772947 /nfs/dbraw/zinc/77/29/47/983772947.db2.gz ILMXPMORPVKSQK-UHFFFAOYSA-N 1 2 248.330 1.368 20 0 BDADLO CCc1ncoc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001358032967 983817881 /nfs/dbraw/zinc/81/78/81/983817881.db2.gz LPJSRSOMFRCBCF-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001358149385 983831687 /nfs/dbraw/zinc/83/16/87/983831687.db2.gz WVKNNJDLAKKFGG-IUCAKERBSA-N 1 2 225.267 1.062 20 0 BDADLO COC[C@@H](C)OC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000866503221 983857277 /nfs/dbraw/zinc/85/72/77/983857277.db2.gz OYVKBCQKHZYPGC-VHSXEESVSA-N 1 2 241.291 1.033 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+]Cc2nnc(CO)[nH]2)C1 ZINC001560626557 983947206 /nfs/dbraw/zinc/94/72/06/983947206.db2.gz RTCJSKCLYOMOFG-ZJUUUORDSA-N 1 2 238.335 1.355 20 0 BDADLO Cc1nocc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001360225347 983955359 /nfs/dbraw/zinc/95/53/59/983955359.db2.gz RCYZERCBXHOXQF-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CCCNC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001202603785 984111900 /nfs/dbraw/zinc/11/19/00/984111900.db2.gz RYRUAEPNSJVYEP-UHFFFAOYSA-N 1 2 236.319 1.502 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC001545802148 984171688 /nfs/dbraw/zinc/17/16/88/984171688.db2.gz LZBAFUDOYKVXLK-ZJUUUORDSA-N 1 2 235.331 1.765 20 0 BDADLO CCCCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC001253549044 984200730 /nfs/dbraw/zinc/20/07/30/984200730.db2.gz LCPZCVDNITXITG-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)c(C)n1 ZINC001274106831 984260452 /nfs/dbraw/zinc/26/04/52/984260452.db2.gz RLVAXCRBJUUSPQ-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)c(C)n1 ZINC001274106831 984260463 /nfs/dbraw/zinc/26/04/63/984260463.db2.gz RLVAXCRBJUUSPQ-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO CCC(=O)CNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001545867251 984260192 /nfs/dbraw/zinc/26/01/92/984260192.db2.gz XNWOGCOGFXBCRH-UHFFFAOYSA-N 1 2 238.287 1.050 20 0 BDADLO Cc1cc(NC(=O)c2nccnc2C)cc[nH+]1 ZINC001435759417 984300288 /nfs/dbraw/zinc/30/02/88/984300288.db2.gz ZWYMJBHUTNTPOA-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO OCc1cncc(-c2cccc3[nH+]ccn32)c1 ZINC001242971384 984336998 /nfs/dbraw/zinc/33/69/98/984336998.db2.gz KXXHASFKHKCFNK-UHFFFAOYSA-N 1 2 225.251 1.889 20 0 BDADLO Cc1ccc[nH+]c1N1CCC[C@@]12CCN(C)C2=O ZINC001274691191 984366452 /nfs/dbraw/zinc/36/64/52/984366452.db2.gz KKDLKBKOQHICTF-AWEZNQCLSA-N 1 2 245.326 1.591 20 0 BDADLO CCOc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)ccc1O ZINC000718337203 984437788 /nfs/dbraw/zinc/43/77/88/984437788.db2.gz MMFZIOYFBNHFBB-RYUDHWBXSA-N 1 2 249.310 1.764 20 0 BDADLO CCOc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)ccc1O ZINC000718337203 984437803 /nfs/dbraw/zinc/43/78/03/984437803.db2.gz MMFZIOYFBNHFBB-RYUDHWBXSA-N 1 2 249.310 1.764 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(Cc2nn[nH]n2)cc1 ZINC001243069738 984490852 /nfs/dbraw/zinc/49/08/52/984490852.db2.gz JYQQVOKAJHIXRW-UHFFFAOYSA-N 1 2 240.270 1.191 20 0 BDADLO Cc1cc(C(N)=O)cc(C)c1-c1c[nH+]cn1C ZINC001243070489 984495891 /nfs/dbraw/zinc/49/58/91/984495891.db2.gz FXEMAHGYFMVYQC-UHFFFAOYSA-N 1 2 229.283 1.803 20 0 BDADLO Nc1cc(Cl)[nH+]c(NCCc2cnoc2)c1 ZINC000718856112 984550936 /nfs/dbraw/zinc/55/09/36/984550936.db2.gz FWKVHKQRJMUQRA-UHFFFAOYSA-N 1 2 238.678 1.960 20 0 BDADLO C=C/C=C\CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001444453143 984557753 /nfs/dbraw/zinc/55/77/53/984557753.db2.gz DLNTWUJHSYJHMH-RXNFCKPNSA-N 1 2 233.315 1.768 20 0 BDADLO C[N@H+](Cc1ccc(CO)cc1)Cc1ncccn1 ZINC000718903918 984564542 /nfs/dbraw/zinc/56/45/42/984564542.db2.gz DLPAVZYXDZSEIW-UHFFFAOYSA-N 1 2 243.310 1.601 20 0 BDADLO C[N@@H+](Cc1ccc(CO)cc1)Cc1ncccn1 ZINC000718903918 984564558 /nfs/dbraw/zinc/56/45/58/984564558.db2.gz DLPAVZYXDZSEIW-UHFFFAOYSA-N 1 2 243.310 1.601 20 0 BDADLO COc1ccc(CO)cc1-c1ccc[nH+]c1N ZINC001243173504 984630917 /nfs/dbraw/zinc/63/09/17/984630917.db2.gz ZITSDLWAYRDZCV-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C)[nH]c1=O ZINC001447468363 984749904 /nfs/dbraw/zinc/74/99/04/984749904.db2.gz ZCUHVAYZLQUWRF-JTQLQIEISA-N 1 2 235.287 1.128 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C)[nH]c1=O ZINC001447468363 984749935 /nfs/dbraw/zinc/74/99/35/984749935.db2.gz ZCUHVAYZLQUWRF-JTQLQIEISA-N 1 2 235.287 1.128 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C)[nH]c1=O ZINC001447468364 984751568 /nfs/dbraw/zinc/75/15/68/984751568.db2.gz ZCUHVAYZLQUWRF-SNVBAGLBSA-N 1 2 235.287 1.128 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C)[nH]c1=O ZINC001447468364 984751588 /nfs/dbraw/zinc/75/15/88/984751588.db2.gz ZCUHVAYZLQUWRF-SNVBAGLBSA-N 1 2 235.287 1.128 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(NC)nc1 ZINC001577767681 984756314 /nfs/dbraw/zinc/75/63/14/984756314.db2.gz OOSFISQSOPTBOJ-JTQLQIEISA-N 1 2 234.303 1.156 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(NC)nc1 ZINC001577767681 984756326 /nfs/dbraw/zinc/75/63/26/984756326.db2.gz OOSFISQSOPTBOJ-JTQLQIEISA-N 1 2 234.303 1.156 20 0 BDADLO CCc1cc(O)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001447664185 984774770 /nfs/dbraw/zinc/77/47/70/984774770.db2.gz MNYLIJRWFMPMLO-UHFFFAOYSA-N 1 2 245.282 1.859 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)cn1 ZINC001453078477 984981862 /nfs/dbraw/zinc/98/18/62/984981862.db2.gz NFTZLOMPSNLRPG-SNVBAGLBSA-N 1 2 235.287 1.123 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)cn1 ZINC001453078477 984981899 /nfs/dbraw/zinc/98/18/99/984981899.db2.gz NFTZLOMPSNLRPG-SNVBAGLBSA-N 1 2 235.287 1.123 20 0 BDADLO Nc1ccc(CNC(=O)C2CC3(CCC3)C2)c[nH+]1 ZINC000691956438 984993385 /nfs/dbraw/zinc/99/33/85/984993385.db2.gz OJCGUBKUORTQPH-UHFFFAOYSA-N 1 2 245.326 1.860 20 0 BDADLO COC(=O)c1cc(F)ncc1-c1ccc[nH+]c1N ZINC001243473911 985022589 /nfs/dbraw/zinc/02/25/89/985022589.db2.gz OTFILBDTUZEWFD-UHFFFAOYSA-N 1 2 247.229 1.652 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(-n2nccn2)cc1 ZINC001243474360 985024501 /nfs/dbraw/zinc/02/45/01/985024501.db2.gz WLXPTXUMDFJGET-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO NC(=O)Nc1ccccc1-c1ccc[nH+]c1N ZINC001243474022 985025447 /nfs/dbraw/zinc/02/54/47/985025447.db2.gz HTNLITDCXOHNDZ-UHFFFAOYSA-N 1 2 228.255 1.821 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccns1 ZINC001454373209 985030763 /nfs/dbraw/zinc/03/07/63/985030763.db2.gz DGMSHDCIBVPDHL-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO C[C@@H](O)c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000686080473 985062150 /nfs/dbraw/zinc/06/21/50/985062150.db2.gz GHWIZZWGWYZEGC-LLVKDONJSA-N 1 2 246.314 1.834 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([C@H](C)O)cn1 ZINC000686081462 985065221 /nfs/dbraw/zinc/06/52/21/985065221.db2.gz UUDGYPWGIHTQJK-MNOVXSKESA-N 1 2 246.314 1.832 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000686081467 985067705 /nfs/dbraw/zinc/06/77/05/985067705.db2.gz UUDGYPWGIHTQJK-WDEREUQCSA-N 1 2 246.314 1.832 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CC2(F)F)c[nH+]1 ZINC001456144622 985115131 /nfs/dbraw/zinc/11/51/31/985115131.db2.gz PELMNDWLJLAINS-ZETCQYMHSA-N 1 2 229.230 1.244 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CC2(F)F)[nH+]1 ZINC001456144622 985115141 /nfs/dbraw/zinc/11/51/41/985115141.db2.gz PELMNDWLJLAINS-ZETCQYMHSA-N 1 2 229.230 1.244 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cncc(C)c2)c[nH+]1 ZINC001456145028 985119343 /nfs/dbraw/zinc/11/93/43/985119343.db2.gz YUTMEHDUNYPXTR-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cncc(C)c2)[nH+]1 ZINC001456145028 985119354 /nfs/dbraw/zinc/11/93/54/985119354.db2.gz YUTMEHDUNYPXTR-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO C[C@H](C(=O)NN1C[C@H]2CCC[C@@H]2C1)n1cc[nH+]c1 ZINC001457416725 985213593 /nfs/dbraw/zinc/21/35/93/985213593.db2.gz ICKAYNVZYFTLMI-IJLUTSLNSA-N 1 2 248.330 1.207 20 0 BDADLO CCn1cc(-c2cc[nH+]c(NC)c2)ccc1=O ZINC001243838565 985444750 /nfs/dbraw/zinc/44/47/50/985444750.db2.gz ZMOOWDGLFWPKKS-UHFFFAOYSA-N 1 2 229.283 1.972 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)C1CCS(=O)CC1 ZINC001459672000 985579932 /nfs/dbraw/zinc/57/99/32/985579932.db2.gz WWRHKFGGUVKNLH-UHFFFAOYSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)C1CCS(=O)CC1 ZINC001459672000 985579945 /nfs/dbraw/zinc/57/99/45/985579945.db2.gz WWRHKFGGUVKNLH-UHFFFAOYSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)C1CCS(=O)CC1 ZINC001459672000 985579959 /nfs/dbraw/zinc/57/99/59/985579959.db2.gz WWRHKFGGUVKNLH-UHFFFAOYSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)C1CCS(=O)CC1 ZINC001459672000 985579968 /nfs/dbraw/zinc/57/99/68/985579968.db2.gz WWRHKFGGUVKNLH-UHFFFAOYSA-N 1 2 241.360 1.061 20 0 BDADLO c1nc(C2=C[NH2+]CCC2)cc(N2CCOCC2)n1 ZINC001243947532 985621981 /nfs/dbraw/zinc/62/19/81/985621981.db2.gz KYPDBHPVEMBVQU-UHFFFAOYSA-N 1 2 246.314 1.038 20 0 BDADLO CN(C)c1cncc(C2=C[NH2+]CCC2)n1 ZINC001243947608 985625227 /nfs/dbraw/zinc/62/52/27/985625227.db2.gz MXWZTPYFMKOUHA-UHFFFAOYSA-N 1 2 204.277 1.267 20 0 BDADLO CCOC(=O)c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243947863 985627364 /nfs/dbraw/zinc/62/73/64/985627364.db2.gz QSILEXUNILGVMW-UHFFFAOYSA-N 1 2 232.283 1.983 20 0 BDADLO [NH3+]Cc1ncc(-c2cc(F)c(O)c(F)c2)cn1 ZINC001244094203 985810300 /nfs/dbraw/zinc/81/03/00/985810300.db2.gz QAEXZTFWBBZMNB-UHFFFAOYSA-N 1 2 237.209 1.586 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnn(C(C)(C)CO)c1 ZINC001244106194 985818867 /nfs/dbraw/zinc/81/88/67/985818867.db2.gz OPRXPVBYHYQDHE-GQYICFGZSA-N 1 2 221.304 1.486 20 0 BDADLO CCc1ccc2c(c1)CC[N@H+]([C@H]1CCOC1=O)C2 ZINC001460970150 985979118 /nfs/dbraw/zinc/97/91/18/985979118.db2.gz CPSLJHHJXMFXOW-AWEZNQCLSA-N 1 2 245.322 1.923 20 0 BDADLO CCc1ccc2c(c1)CC[N@@H+]([C@H]1CCOC1=O)C2 ZINC001460970150 985979140 /nfs/dbraw/zinc/97/91/40/985979140.db2.gz CPSLJHHJXMFXOW-AWEZNQCLSA-N 1 2 245.322 1.923 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCO2)[nH+]cn1 ZINC000206577937 986034723 /nfs/dbraw/zinc/03/47/23/986034723.db2.gz LPHVDLVKTKGCTO-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCO2)nc[nH+]1 ZINC000206577937 986034739 /nfs/dbraw/zinc/03/47/39/986034739.db2.gz LPHVDLVKTKGCTO-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@H]1c1ncon1 ZINC001461977749 986250874 /nfs/dbraw/zinc/25/08/74/986250874.db2.gz IESSJEMRRYXWFP-NSHDSACASA-N 1 2 247.302 1.623 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC001258808802 986265717 /nfs/dbraw/zinc/26/57/17/986265717.db2.gz UDPQQXIJDJASLT-QCNOEVLYSA-N 1 2 243.347 1.467 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC001258808804 986267854 /nfs/dbraw/zinc/26/78/54/986267854.db2.gz UDPQQXIJDJASLT-WYUUTHIRSA-N 1 2 243.347 1.467 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccco2)C1 ZINC000382122588 986331016 /nfs/dbraw/zinc/33/10/16/986331016.db2.gz UITUDABHFVMNJF-UHFFFAOYSA-N 1 2 208.261 1.104 20 0 BDADLO CCN1CCC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001462274304 986337149 /nfs/dbraw/zinc/33/71/49/986337149.db2.gz NNSIKSZXXHTGTL-NSHDSACASA-N 1 2 249.362 1.256 20 0 BDADLO C[C@@H](O)c1cc[nH+]c(NC[C@H](O)C(C)(C)C)c1 ZINC001253719793 986338459 /nfs/dbraw/zinc/33/84/59/986338459.db2.gz GJZQJYQDEKROJR-KOLCDFICSA-N 1 2 238.331 1.954 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@@H]1CCCC[C@H]1F)C(F)F ZINC001580121287 986579430 /nfs/dbraw/zinc/57/94/30/986579430.db2.gz PJEILBWDWBKKSB-GJMOJQLCSA-N 1 2 238.253 1.366 20 0 BDADLO [NH3+]C[C@@]12C[N@@H+](Cc3cnc[nH]3)C[C@@H]1CCCC2 ZINC001580256900 986711517 /nfs/dbraw/zinc/71/15/17/986711517.db2.gz ZOXQHRWNIHMLCE-AAEUAGOBSA-N 1 2 234.347 1.361 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC(F)(F)F ZINC001465445199 986720035 /nfs/dbraw/zinc/72/00/35/986720035.db2.gz VVVGQVFRFBLPIO-UHFFFAOYSA-N 1 2 235.209 1.329 20 0 BDADLO CNc1cc(C2=CCS(=O)(=O)CC2)cc[nH+]1 ZINC001245210677 986730535 /nfs/dbraw/zinc/73/05/35/986730535.db2.gz DEMREWHUGFZPKV-UHFFFAOYSA-N 1 2 238.312 1.325 20 0 BDADLO CC(=O)CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC001137304646 986736624 /nfs/dbraw/zinc/73/66/24/986736624.db2.gz CZUNSBHTTSHRRZ-UHFFFAOYSA-N 1 2 231.299 1.664 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)[nH]1 ZINC001137322599 986770606 /nfs/dbraw/zinc/77/06/06/986770606.db2.gz JYXFCYVPXAGHDZ-GXSJLCMTSA-N 1 2 212.268 1.146 20 0 BDADLO Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)[nH]1 ZINC001137322599 986770623 /nfs/dbraw/zinc/77/06/23/986770623.db2.gz JYXFCYVPXAGHDZ-GXSJLCMTSA-N 1 2 212.268 1.146 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC=CC1 ZINC001466420158 986795902 /nfs/dbraw/zinc/79/59/02/986795902.db2.gz VVJHQVOATUPAGT-UHFFFAOYSA-N 1 2 228.255 1.738 20 0 BDADLO [NH3+][C@@H]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001580387002 986812805 /nfs/dbraw/zinc/81/28/05/986812805.db2.gz DHLNUSBGPNGNOK-RRKCRQDMSA-N 1 2 242.216 1.130 20 0 BDADLO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001580387002 986812808 /nfs/dbraw/zinc/81/28/08/986812808.db2.gz DHLNUSBGPNGNOK-RRKCRQDMSA-N 1 2 242.216 1.130 20 0 BDADLO C[NH+]1CC(NC(=S)NCCc2ccccc2)C1 ZINC001245338148 986814882 /nfs/dbraw/zinc/81/48/82/986814882.db2.gz KVSLYGNCEXBVLT-UHFFFAOYSA-N 1 2 249.383 1.007 20 0 BDADLO CC[N@H+](Cc1[nH]nc2ccccc21)C1COC1 ZINC001137349929 986815766 /nfs/dbraw/zinc/81/57/66/986815766.db2.gz VMGFTGCRXYTLST-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CC[N@@H+](Cc1[nH]nc2ccccc21)C1COC1 ZINC001137349929 986815772 /nfs/dbraw/zinc/81/57/72/986815772.db2.gz VMGFTGCRXYTLST-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001467286185 986840261 /nfs/dbraw/zinc/84/02/61/986840261.db2.gz CWTCWVAXFYWZEP-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1c[nH]c2ncccc12 ZINC001137403345 986880231 /nfs/dbraw/zinc/88/02/31/986880231.db2.gz JWWSYCNYMVNLLA-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]c2ncccc12 ZINC001137403345 986880233 /nfs/dbraw/zinc/88/02/33/986880233.db2.gz JWWSYCNYMVNLLA-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+]1CC ZINC001468050785 986880921 /nfs/dbraw/zinc/88/09/21/986880921.db2.gz KIQZTMREGOMQHN-QWRGUYRKSA-N 1 2 238.331 1.051 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+]1CC ZINC001468050785 986880928 /nfs/dbraw/zinc/88/09/28/986880928.db2.gz KIQZTMREGOMQHN-QWRGUYRKSA-N 1 2 238.331 1.051 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001468217046 986890921 /nfs/dbraw/zinc/89/09/21/986890921.db2.gz TUUZSNBOXWDLOV-GMTAPVOTSA-N 1 2 237.303 1.128 20 0 BDADLO Cc1cc(-c2cccc(C(N)=O)n2)c[nH+]c1N ZINC001245535269 986911577 /nfs/dbraw/zinc/91/15/77/986911577.db2.gz HGWXDOKOKWLNQN-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cc1cc(-c2ccn3cnnc3c2)c[nH+]c1N ZINC001245536980 986914861 /nfs/dbraw/zinc/91/48/61/986914861.db2.gz PSVBABXCZOWDLA-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1cc(-c2ccc3c(n2)NC(=O)C3)c[nH+]c1N ZINC001245536264 986915463 /nfs/dbraw/zinc/91/54/63/986915463.db2.gz NPVJJMQJOIFFSG-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137471089 986916717 /nfs/dbraw/zinc/91/67/17/986916717.db2.gz XASQOERSGXXXIO-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137471089 986916725 /nfs/dbraw/zinc/91/67/25/986916725.db2.gz XASQOERSGXXXIO-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO COC(=O)c1nccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245539337 986924529 /nfs/dbraw/zinc/92/45/29/986924529.db2.gz YDUGKSNTBLJVKG-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO CC(=O)Nc1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245538944 986924988 /nfs/dbraw/zinc/92/49/88/986924988.db2.gz SNRRFQLAIPRBPC-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO CC(=O)Nc1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245539849 986925290 /nfs/dbraw/zinc/92/52/90/986925290.db2.gz XOZRITXBWCDISK-UHFFFAOYSA-N 1 2 243.270 1.388 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ncnn1C ZINC001255639793 987036350 /nfs/dbraw/zinc/03/63/50/987036350.db2.gz ABFBHZYTVRSCBC-VHSXEESVSA-N 1 2 231.303 1.622 20 0 BDADLO CO[C@H]1C[N@@H+]([C@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646592 987044082 /nfs/dbraw/zinc/04/40/82/987044082.db2.gz PGYYFJFLXYZYJO-CSMHCCOUSA-N 1 2 229.217 1.996 20 0 BDADLO CO[C@H]1C[N@H+]([C@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646592 987044093 /nfs/dbraw/zinc/04/40/93/987044093.db2.gz PGYYFJFLXYZYJO-CSMHCCOUSA-N 1 2 229.217 1.996 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001470445000 987048565 /nfs/dbraw/zinc/04/85/65/987048565.db2.gz GPIGCBOAMBXVFA-VHSXEESVSA-N 1 2 236.319 1.012 20 0 BDADLO CCn1nc(C)cc1NC(=O)[C@H]1CC[N@@H+]1CC ZINC001470780459 987069205 /nfs/dbraw/zinc/06/92/05/987069205.db2.gz UKBMNSIIZKCXTD-SNVBAGLBSA-N 1 2 236.319 1.244 20 0 BDADLO CCn1nc(C)cc1NC(=O)[C@H]1CC[N@H+]1CC ZINC001470780459 987069216 /nfs/dbraw/zinc/06/92/16/987069216.db2.gz UKBMNSIIZKCXTD-SNVBAGLBSA-N 1 2 236.319 1.244 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2cnccc2C)CC1 ZINC001099547002 987077988 /nfs/dbraw/zinc/07/79/88/987077988.db2.gz XQKKOTJQWLQHOI-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO [NH3+]Cc1cc(=O)n(CCOc2ccccc2)[nH]1 ZINC001245922830 987166535 /nfs/dbraw/zinc/16/65/35/987166535.db2.gz FOUZJCFLSCURJW-UHFFFAOYSA-N 1 2 233.271 1.126 20 0 BDADLO CC(C)Cc1cc(=O)n(Cc2[nH+]ccn2C)[nH]1 ZINC001245932749 987199367 /nfs/dbraw/zinc/19/93/67/987199367.db2.gz NPTDERAQKBIHGB-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO Cc1ncncc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001472629061 987260493 /nfs/dbraw/zinc/26/04/93/987260493.db2.gz LOGJOSFHLLVAKB-SECBINFHSA-N 1 2 231.259 1.181 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC001116061992 987435535 /nfs/dbraw/zinc/43/55/35/987435535.db2.gz BSRQAFOCJBIFNR-QMMMGPOBSA-N 1 2 219.248 1.114 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001116368993 987537557 /nfs/dbraw/zinc/53/75/57/987537557.db2.gz PAVQYQOGJMRSMI-SNVBAGLBSA-N 1 2 221.304 1.559 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)F)C2)o1 ZINC001116401709 987552220 /nfs/dbraw/zinc/55/22/20/987552220.db2.gz NGIULIGPMQCPSJ-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)F)C2)o1 ZINC001116401709 987552227 /nfs/dbraw/zinc/55/22/27/987552227.db2.gz NGIULIGPMQCPSJ-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@@H+]1CCC1OCCO1 ZINC001473878839 987598083 /nfs/dbraw/zinc/59/80/83/987598083.db2.gz AMBPMZQFTFKQNZ-SECBINFHSA-N 1 2 235.274 1.869 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@H+]1CCC1OCCO1 ZINC001473878839 987598092 /nfs/dbraw/zinc/59/80/92/987598092.db2.gz AMBPMZQFTFKQNZ-SECBINFHSA-N 1 2 235.274 1.869 20 0 BDADLO CCn1ccc(C[NH2+]Cc2scnc2C)n1 ZINC001473991452 987626281 /nfs/dbraw/zinc/62/62/81/987626281.db2.gz NDVAHAWRHMRBGK-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO Cc1cccc2[nH]c(C[NH2+]Cc3cnn[nH]3)cc21 ZINC001474219815 987662659 /nfs/dbraw/zinc/66/26/59/987662659.db2.gz OKYDLXWQKLKHLS-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CC2CC(O)C2)n1 ZINC001474447887 987722816 /nfs/dbraw/zinc/72/28/16/987722816.db2.gz ACCDVFBEDODPNY-UHFFFAOYSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CC2CC(O)C2)n1 ZINC001474447887 987722824 /nfs/dbraw/zinc/72/28/24/987722824.db2.gz ACCDVFBEDODPNY-UHFFFAOYSA-N 1 2 243.738 1.276 20 0 BDADLO COC(=O)C1CC([NH2+][C@H](C)c2csnn2)C1 ZINC001474585328 987771546 /nfs/dbraw/zinc/77/15/46/987771546.db2.gz QINSXNVWRNIALE-JECWYVHBSA-N 1 2 241.316 1.140 20 0 BDADLO Cc1c(NC(=O)CCc2[nH]cc[nH+]2)cnn1C ZINC001117436098 987836367 /nfs/dbraw/zinc/83/63/67/987836367.db2.gz FMVKYAAOSVSHDI-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO c1cn(Cc2nnc(CC3CC3)o2)c[nH+]1 ZINC001117691836 987863754 /nfs/dbraw/zinc/86/37/54/987863754.db2.gz RMYWTAOCIHCLPI-UHFFFAOYSA-N 1 2 204.233 1.267 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H]1C1CC1 ZINC001117770073 987900818 /nfs/dbraw/zinc/90/08/18/987900818.db2.gz FIXMGUAZXCVNRX-NSHDSACASA-N 1 2 241.294 1.959 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)n[nH]1 ZINC001117948093 987962680 /nfs/dbraw/zinc/96/26/80/987962680.db2.gz MCNMFYNMHRJLHT-QWRGUYRKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)n[nH]1 ZINC001117948093 987962689 /nfs/dbraw/zinc/96/26/89/987962689.db2.gz MCNMFYNMHRJLHT-QWRGUYRKSA-N 1 2 223.320 1.311 20 0 BDADLO CO[C@@H](C)CCc1nnc(C[NH+](C)C)o1 ZINC001118070963 988006688 /nfs/dbraw/zinc/00/66/88/988006688.db2.gz SKQXTRCEOYPSHM-QMMMGPOBSA-N 1 2 213.281 1.099 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(C2CC2)nn1C)c1cn[nH]c1 ZINC001118131408 988034406 /nfs/dbraw/zinc/03/44/06/988034406.db2.gz WHPPWCSJFWVLFV-MRVPVSSYSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC001118161171 988069092 /nfs/dbraw/zinc/06/90/92/988069092.db2.gz SQXHBYKSEHJYBZ-MMWGEVLESA-N 1 2 219.288 1.359 20 0 BDADLO CCc1coc(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001118322385 988217794 /nfs/dbraw/zinc/21/77/94/988217794.db2.gz CIGJOZBAASCGCB-QMMMGPOBSA-N 1 2 234.259 1.633 20 0 BDADLO COc1c(N)[nH+]cnc1NC/C=C\C1CC1 ZINC001118335588 988235512 /nfs/dbraw/zinc/23/55/12/988235512.db2.gz OGJYKKFEBUORHX-IHWYPQMZSA-N 1 2 220.276 1.446 20 0 BDADLO COc1c(N)nc[nH+]c1NC/C=C\C1CC1 ZINC001118335588 988235532 /nfs/dbraw/zinc/23/55/32/988235532.db2.gz OGJYKKFEBUORHX-IHWYPQMZSA-N 1 2 220.276 1.446 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)[nH]n2)CCCO1 ZINC001322573732 988327838 /nfs/dbraw/zinc/32/78/38/988327838.db2.gz AIWWYUQVKHGKCT-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)[nH]n2)CCCO1 ZINC001322573732 988327853 /nfs/dbraw/zinc/32/78/53/988327853.db2.gz AIWWYUQVKHGKCT-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCC(=O)NC/C=C/C[NH2+]Cc1coc(C)n1 ZINC001497509623 988386329 /nfs/dbraw/zinc/38/63/29/988386329.db2.gz AONKFRJFUIWQLY-SNAWJCMRSA-N 1 2 237.303 1.155 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001118624968 988485490 /nfs/dbraw/zinc/48/54/90/988485490.db2.gz SCIAWLUCOSLBQU-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CCF)C1CC1 ZINC001323371018 988514864 /nfs/dbraw/zinc/51/48/64/988514864.db2.gz JDTYQWNQBGTRRP-CMPLNLGQSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CCF)C1CC1 ZINC001323371018 988514870 /nfs/dbraw/zinc/51/48/70/988514870.db2.gz JDTYQWNQBGTRRP-CMPLNLGQSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H]1C[N@H+](CN2C(=O)CC2(C)C)CC(C)(C)O1 ZINC001323541328 988551048 /nfs/dbraw/zinc/55/10/48/988551048.db2.gz NWFOKKBMZNFBSP-JTQLQIEISA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H]1C[N@@H+](CN2C(=O)CC2(C)C)CC(C)(C)O1 ZINC001323541328 988551055 /nfs/dbraw/zinc/55/10/55/988551055.db2.gz NWFOKKBMZNFBSP-JTQLQIEISA-N 1 2 240.347 1.454 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)o1 ZINC001323798008 988618666 /nfs/dbraw/zinc/61/86/66/988618666.db2.gz RAYOMUKOGVVPHI-SECBINFHSA-N 1 2 247.298 1.721 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1Cc2ccncc2C1 ZINC001118848162 988648922 /nfs/dbraw/zinc/64/89/22/988648922.db2.gz KEBMJTYFMASQSG-UHFFFAOYSA-N 1 2 242.282 1.280 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1Cc2ccncc2C1 ZINC001118848162 988648929 /nfs/dbraw/zinc/64/89/29/988648929.db2.gz KEBMJTYFMASQSG-UHFFFAOYSA-N 1 2 242.282 1.280 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC/C=C\C1CC1 ZINC001118943972 988726639 /nfs/dbraw/zinc/72/66/39/988726639.db2.gz DQHQQMODWKSHEF-IHWYPQMZSA-N 1 2 234.303 1.186 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cnccn1 ZINC001119048053 988815097 /nfs/dbraw/zinc/81/50/97/988815097.db2.gz RZJJCABQDZPEKO-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2CCC1CC2 ZINC001119102710 988837349 /nfs/dbraw/zinc/83/73/49/988837349.db2.gz MEPLPDCMLMXUGF-KIDURHIOSA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2CCC1CC2 ZINC001119102710 988837353 /nfs/dbraw/zinc/83/73/53/988837353.db2.gz MEPLPDCMLMXUGF-KIDURHIOSA-N 1 2 245.326 1.914 20 0 BDADLO Cc1ocnc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001119103072 988837883 /nfs/dbraw/zinc/83/78/83/988837883.db2.gz UWABSNXYJMTIAR-RKDXNWHRSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1ocnc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001119103072 988837886 /nfs/dbraw/zinc/83/78/86/988837886.db2.gz UWABSNXYJMTIAR-RKDXNWHRSA-N 1 2 246.270 1.126 20 0 BDADLO COc1cc2[nH+]c(CCCO)[nH]c2cc1F ZINC001247014398 988839588 /nfs/dbraw/zinc/83/95/88/988839588.db2.gz NEDQHPGSCHHKFP-UHFFFAOYSA-N 1 2 224.235 1.636 20 0 BDADLO COc1cc2[nH]c(CCCO)[nH+]c2cc1F ZINC001247014398 988839591 /nfs/dbraw/zinc/83/95/91/988839591.db2.gz NEDQHPGSCHHKFP-UHFFFAOYSA-N 1 2 224.235 1.636 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@]23CCOC3)s1 ZINC001119244117 988859160 /nfs/dbraw/zinc/85/91/60/988859160.db2.gz BNZRBERLMCLQMM-NSHDSACASA-N 1 2 240.328 1.517 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@]23CCOC3)s1 ZINC001119244117 988859162 /nfs/dbraw/zinc/85/91/62/988859162.db2.gz BNZRBERLMCLQMM-NSHDSACASA-N 1 2 240.328 1.517 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@@H](F)C1 ZINC001324513373 988862871 /nfs/dbraw/zinc/86/28/71/988862871.db2.gz WUDNBOQKIGNDTM-SECBINFHSA-N 1 2 233.246 1.518 20 0 BDADLO Cc1coc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1C ZINC001324680339 988928412 /nfs/dbraw/zinc/92/84/12/988928412.db2.gz FZUKNPNTCMQQNT-SNVBAGLBSA-N 1 2 247.298 1.911 20 0 BDADLO CCc1ncoc1C(=O)OCCn1cc[nH+]c1 ZINC001514960509 988975168 /nfs/dbraw/zinc/97/51/68/988975168.db2.gz HIBJWSXTIDIJNW-UHFFFAOYSA-N 1 2 235.243 1.291 20 0 BDADLO Cc1cnc(NCC[N@@H+]2CCO[C@@H](C)C2)o1 ZINC001119343456 988978184 /nfs/dbraw/zinc/97/81/84/988978184.db2.gz IQYVFWFFVHBUEI-JTQLQIEISA-N 1 2 225.292 1.116 20 0 BDADLO Cc1cnc(NCC[N@H+]2CCO[C@@H](C)C2)o1 ZINC001119343456 988978198 /nfs/dbraw/zinc/97/81/98/988978198.db2.gz IQYVFWFFVHBUEI-JTQLQIEISA-N 1 2 225.292 1.116 20 0 BDADLO Cc1cc(F)cc(N(C)Cc2cnn(C)c2)[nH+]1 ZINC001515314109 989026111 /nfs/dbraw/zinc/02/61/11/989026111.db2.gz KUOCGBYGIFRHKQ-UHFFFAOYSA-N 1 2 234.278 1.899 20 0 BDADLO Oc1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC001515444543 989049061 /nfs/dbraw/zinc/04/90/61/989049061.db2.gz NTSXLVYGHJBBFD-JTQLQIEISA-N 1 2 245.286 1.220 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccncc2C)no1 ZINC001247962049 989051298 /nfs/dbraw/zinc/05/12/98/989051298.db2.gz YOWNFDIJHRADSJ-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cccnc2C)no1 ZINC001248189061 989081973 /nfs/dbraw/zinc/08/19/73/989081973.db2.gz ZFIFFPZVHRUYPI-SECBINFHSA-N 1 2 234.259 1.086 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(-c3ccccn3)no2)C1 ZINC001248229988 989085146 /nfs/dbraw/zinc/08/51/46/989085146.db2.gz VYIZIMISXRIIRB-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(-c3ccccn3)no2)C1 ZINC001248229988 989085156 /nfs/dbraw/zinc/08/51/56/989085156.db2.gz VYIZIMISXRIIRB-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC001248229997 989087950 /nfs/dbraw/zinc/08/79/50/989087950.db2.gz VYIZIMISXRIIRB-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC001248229997 989087962 /nfs/dbraw/zinc/08/79/62/989087962.db2.gz VYIZIMISXRIIRB-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2C[C@H](C)CO2)cc(C)[nH+]1 ZINC001119476121 989096420 /nfs/dbraw/zinc/09/64/20/989096420.db2.gz WXDYBXRMZUVGSM-TVQRCGJNSA-N 1 2 248.326 1.740 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C=CCCC1 ZINC001119533020 989132640 /nfs/dbraw/zinc/13/26/40/989132640.db2.gz PTMREPSIIOJWMY-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248820898 989169471 /nfs/dbraw/zinc/16/94/71/989169471.db2.gz HFSDXYMVLSUASZ-QWHCGFSZSA-N 1 2 238.306 1.339 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248820898 989169484 /nfs/dbraw/zinc/16/94/84/989169484.db2.gz HFSDXYMVLSUASZ-QWHCGFSZSA-N 1 2 238.306 1.339 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001325346447 989172241 /nfs/dbraw/zinc/17/22/41/989172241.db2.gz PQAHMZZJLSZWKF-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc3n2CCC3)C1 ZINC001248823836 989183327 /nfs/dbraw/zinc/18/33/27/989183327.db2.gz NMLPFIXTKXOENB-UHFFFAOYSA-N 1 2 248.326 1.429 20 0 BDADLO C[C@H](c1nc([C@@H]2CCCO2)no1)n1cc[nH+]c1 ZINC001325492685 989195488 /nfs/dbraw/zinc/19/54/88/989195488.db2.gz ZIBGAZVPATWHEX-BDAKNGLRSA-N 1 2 234.259 1.727 20 0 BDADLO Cc1nc(CNC(=O)[C@H](C)n2cc[nH+]c2)[nH]c1C ZINC001119592360 989198181 /nfs/dbraw/zinc/19/81/81/989198181.db2.gz DIXXZORNCWXMIJ-JTQLQIEISA-N 1 2 247.302 1.100 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2nonc2C)C1 ZINC001248858992 989199805 /nfs/dbraw/zinc/19/98/05/989199805.db2.gz SFKQJEZZKYRLFR-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2nonc2C)C1 ZINC001248858992 989199808 /nfs/dbraw/zinc/19/98/08/989199808.db2.gz SFKQJEZZKYRLFR-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001248940480 989230761 /nfs/dbraw/zinc/23/07/61/989230761.db2.gz XVVJBHWAOMZNQE-VXGBXAGGSA-N 1 2 233.315 1.457 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001248940480 989230773 /nfs/dbraw/zinc/23/07/73/989230773.db2.gz XVVJBHWAOMZNQE-VXGBXAGGSA-N 1 2 233.315 1.457 20 0 BDADLO COCCCC[N@H+](C)Cc1cc(C)[nH]n1 ZINC001325681836 989233306 /nfs/dbraw/zinc/23/33/06/989233306.db2.gz VCVJVVCITRSKOG-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO COCCCC[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001325681836 989233316 /nfs/dbraw/zinc/23/33/16/989233316.db2.gz VCVJVVCITRSKOG-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@@H](CC(=O)[O-])C(C)C)n1C ZINC001119611149 989235262 /nfs/dbraw/zinc/23/52/62/989235262.db2.gz OFFPARNOOMSIGM-NSHDSACASA-N 1 2 239.319 1.317 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC001248989190 989238104 /nfs/dbraw/zinc/23/81/04/989238104.db2.gz PRWCEDGTWJNEJI-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC001248989190 989238117 /nfs/dbraw/zinc/23/81/17/989238117.db2.gz PRWCEDGTWJNEJI-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)cnc1C ZINC001249074469 989247352 /nfs/dbraw/zinc/24/73/52/989247352.db2.gz YPQRRPSFMIPKFT-WPRPVWTQSA-N 1 2 248.286 1.129 20 0 BDADLO COC(C)(C)Cc1nnc(C[NH+](C)C)o1 ZINC001325828158 989272488 /nfs/dbraw/zinc/27/24/88/989272488.db2.gz NYDIIQPIHTUHFG-UHFFFAOYSA-N 1 2 213.281 1.099 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cnnn1C ZINC001119637160 989274082 /nfs/dbraw/zinc/27/40/82/989274082.db2.gz YJEGHDKGGJCHKR-UTLUCORTSA-N 1 2 246.318 1.368 20 0 BDADLO CCn1cc(C(=O)OCc2c[nH+]cn2CC)cn1 ZINC001518047366 989277328 /nfs/dbraw/zinc/27/73/28/989277328.db2.gz FQWJBYJMEKNHEZ-UHFFFAOYSA-N 1 2 248.286 1.476 20 0 BDADLO Cc1cc(C[NH+]2CC(C3COC3)C2)ns1 ZINC001249571499 989313022 /nfs/dbraw/zinc/31/30/22/989313022.db2.gz PTXBOKXEGDSUFM-UHFFFAOYSA-N 1 2 224.329 1.530 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2cc(C)sn2)C1 ZINC001249592419 989321504 /nfs/dbraw/zinc/32/15/04/989321504.db2.gz NKIDIAVYFRTMBF-SNVBAGLBSA-N 1 2 224.329 1.862 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)sn2)C1 ZINC001249592419 989321511 /nfs/dbraw/zinc/32/15/11/989321511.db2.gz NKIDIAVYFRTMBF-SNVBAGLBSA-N 1 2 224.329 1.862 20 0 BDADLO COC(=O)c1cc(F)ccc1C[NH+]1CCC1 ZINC001249600045 989322557 /nfs/dbraw/zinc/32/25/57/989322557.db2.gz FMCJEWYOLYMIPY-UHFFFAOYSA-N 1 2 223.247 1.818 20 0 BDADLO NC(=O)Cc1ccccc1Nc1[nH+]cccc1N ZINC001249597986 989322793 /nfs/dbraw/zinc/32/27/93/989322793.db2.gz SKWHZLVAJXTTDI-UHFFFAOYSA-N 1 2 242.282 1.435 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1CCC1 ZINC001518889077 989348846 /nfs/dbraw/zinc/34/88/46/989348846.db2.gz GQKVAQRYDVFJON-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO OCC[N@H+](Cc1c(F)cncc1F)C1CCC1 ZINC001119761516 989384551 /nfs/dbraw/zinc/38/45/51/989384551.db2.gz RMVHTFGXWFBBIT-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO OCC[N@@H+](Cc1c(F)cncc1F)C1CCC1 ZINC001119761516 989384561 /nfs/dbraw/zinc/38/45/61/989384561.db2.gz RMVHTFGXWFBBIT-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO C[N@H+](Cc1coc(C(C)(C)C)n1)C1CC(O)C1 ZINC001119816224 989418573 /nfs/dbraw/zinc/41/85/73/989418573.db2.gz HHHYZYXEWAFTLD-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO C[N@@H+](Cc1coc(C(C)(C)C)n1)C1CC(O)C1 ZINC001119816224 989418578 /nfs/dbraw/zinc/41/85/78/989418578.db2.gz HHHYZYXEWAFTLD-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO CC(C)(COC(=O)C1(C)CC1)n1cc[nH+]c1 ZINC001519584897 989434299 /nfs/dbraw/zinc/43/42/99/989434299.db2.gz WTZCRJTUAHCPFR-UHFFFAOYSA-N 1 2 222.288 1.962 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H]1F ZINC001519802970 989458131 /nfs/dbraw/zinc/45/81/31/989458131.db2.gz JBRBHTWJYMSQDG-UWVGGRQHSA-N 1 2 233.246 1.309 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]1F ZINC001519802968 989460067 /nfs/dbraw/zinc/46/00/67/989460067.db2.gz JBRBHTWJYMSQDG-NXEZZACHSA-N 1 2 233.246 1.309 20 0 BDADLO C[C@H]1Cc2cnccc2N1C(=O)Cn1cc[nH+]c1 ZINC001520373179 989549579 /nfs/dbraw/zinc/54/95/79/989549579.db2.gz KJBYOCSVTRNSFD-JTQLQIEISA-N 1 2 242.282 1.256 20 0 BDADLO CCn1c[nH+]cc1COC(=O)Cc1ccco1 ZINC001520440720 989560926 /nfs/dbraw/zinc/56/09/26/989560926.db2.gz HRSXGZFMZUBLCT-UHFFFAOYSA-N 1 2 234.255 1.782 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)C[C@H]1C ZINC001326450692 989566327 /nfs/dbraw/zinc/56/63/27/989566327.db2.gz AZZQHPFMPSKTOY-SKDRFNHKSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)C[C@H]1C ZINC001326450692 989566338 /nfs/dbraw/zinc/56/63/38/989566338.db2.gz AZZQHPFMPSKTOY-SKDRFNHKSA-N 1 2 223.320 1.575 20 0 BDADLO CCCN(c1cc(N(C)C)[nH+]cn1)C1CC1 ZINC001120030849 989570337 /nfs/dbraw/zinc/57/03/37/989570337.db2.gz JAKGDIFPTCWFAI-UHFFFAOYSA-N 1 2 220.320 1.921 20 0 BDADLO CCCN(c1cc(N(C)C)nc[nH+]1)C1CC1 ZINC001120030849 989570341 /nfs/dbraw/zinc/57/03/41/989570341.db2.gz JAKGDIFPTCWFAI-UHFFFAOYSA-N 1 2 220.320 1.921 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1CCCC12CC2 ZINC001520632505 989584630 /nfs/dbraw/zinc/58/46/30/989584630.db2.gz MPIJXDIFQYPZHZ-LLVKDONJSA-N 1 2 247.342 1.659 20 0 BDADLO Cc1ncc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC001326811497 989729033 /nfs/dbraw/zinc/72/90/33/989729033.db2.gz FGDCEAANDNKGFL-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1ncc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC001326811497 989729037 /nfs/dbraw/zinc/72/90/37/989729037.db2.gz FGDCEAANDNKGFL-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO CC[C@H](F)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001120601811 989772209 /nfs/dbraw/zinc/77/22/09/989772209.db2.gz XCOXKGHMPMCJPQ-QWRGUYRKSA-N 1 2 239.294 1.795 20 0 BDADLO CC[C@H](F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001120603326 989776655 /nfs/dbraw/zinc/77/66/55/989776655.db2.gz CUDJBGSEQPOSSI-VIFPVBQESA-N 1 2 211.240 1.015 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCCc1[nH+]ccn1C ZINC001522019908 989824053 /nfs/dbraw/zinc/82/40/53/989824053.db2.gz RSEBKKPYQXPKOK-SNVBAGLBSA-N 1 2 227.283 1.073 20 0 BDADLO Nc1cc(N2CCC[C@H]2[C@@H]2CCCO2)[nH+]cn1 ZINC001120845121 989916970 /nfs/dbraw/zinc/91/69/70/989916970.db2.gz LFTKTWYLKJCABG-UWVGGRQHSA-N 1 2 234.303 1.207 20 0 BDADLO CCc1ccc(N2CC(=O)N(C)[C@@H](C)C2)[nH+]c1 ZINC001120844503 989918593 /nfs/dbraw/zinc/91/85/93/989918593.db2.gz FYHOKSXEKAEDHV-JTQLQIEISA-N 1 2 233.315 1.311 20 0 BDADLO Cc1cc(F)cc(N2CCCn3nncc3C2)[nH+]1 ZINC001120873268 989938695 /nfs/dbraw/zinc/93/86/95/989938695.db2.gz DKFITISPBHNOLV-UHFFFAOYSA-N 1 2 247.277 1.531 20 0 BDADLO CCc1ccc(N2C[C@H](O)C3(CC3)C2)[nH+]c1 ZINC001120920908 989967379 /nfs/dbraw/zinc/96/73/79/989967379.db2.gz OSKOJSZJQMNGOY-NSHDSACASA-N 1 2 218.300 1.605 20 0 BDADLO CCCN(CC(N)=O)c1cc(F)cc(C)[nH+]1 ZINC001120935071 989975114 /nfs/dbraw/zinc/97/51/14/989975114.db2.gz NIQLQLYPSKUWFV-UHFFFAOYSA-N 1 2 225.267 1.231 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@H](CO)C2)[nH+]1 ZINC001120949173 989983979 /nfs/dbraw/zinc/98/39/79/989983979.db2.gz MTDGOMUDGNTKOS-KOLCDFICSA-N 1 2 238.306 1.984 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N(C1CC1)C1CC1 ZINC001528626882 990304659 /nfs/dbraw/zinc/30/46/59/990304659.db2.gz HPYJGMRYAXOJDG-UHFFFAOYSA-N 1 2 233.315 1.506 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCCC(F)F)c[nH+]1 ZINC001529332853 990344930 /nfs/dbraw/zinc/34/49/30/990344930.db2.gz AUVILOSGSFGMSC-UHFFFAOYSA-N 1 2 245.273 1.698 20 0 BDADLO CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001533470678 990429666 /nfs/dbraw/zinc/42/96/66/990429666.db2.gz VNWBEKBXOGGWSG-ZDUSSCGKSA-N 1 2 229.283 1.761 20 0 BDADLO CCn1cccc1C(=O)OCCc1c[nH+]cn1C ZINC001122855485 990454971 /nfs/dbraw/zinc/45/49/71/990454971.db2.gz YVYQZLFHHLVBOJ-UHFFFAOYSA-N 1 2 247.298 1.641 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccccn1 ZINC001534712831 990455790 /nfs/dbraw/zinc/45/57/90/990455790.db2.gz PZYAGTXQFOXVTL-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO C[C@@H](CC(=O)OCC1COC1)n1cc[nH+]c1 ZINC001123373021 990566303 /nfs/dbraw/zinc/56/63/03/990566303.db2.gz BXOXFYJMKIZNFR-VIFPVBQESA-N 1 2 224.260 1.024 20 0 BDADLO CCNc1cc(CNC(=O)N2CC[C@@H]2C)cc[nH+]1 ZINC001123622103 990630846 /nfs/dbraw/zinc/63/08/46/990630846.db2.gz PBBQNVVGPCCDHF-JTQLQIEISA-N 1 2 248.330 1.817 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C2CC2)C1 ZINC001123776011 990666288 /nfs/dbraw/zinc/66/62/88/990666288.db2.gz MEPWGVKXPGLAFE-LBPRGKRZSA-N 1 2 247.342 1.611 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCC(C)C ZINC001543339227 990689642 /nfs/dbraw/zinc/68/96/42/990689642.db2.gz RFGMMHDOPVKYIJ-UHFFFAOYSA-N 1 2 223.320 1.765 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1(C)CC1 ZINC001123985016 990725158 /nfs/dbraw/zinc/72/51/58/990725158.db2.gz CEUDQBVWQQJVJN-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)CC[C@H]1C ZINC001544558232 990728272 /nfs/dbraw/zinc/72/82/72/990728272.db2.gz YDDRNBAFXLNULO-NXEZZACHSA-N 1 2 235.331 1.908 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCCC(F)F ZINC001124019018 990735880 /nfs/dbraw/zinc/73/58/80/990735880.db2.gz FZFXXXHNOSPPKB-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)C(F)F)c[nH+]1 ZINC001548717141 990776307 /nfs/dbraw/zinc/77/63/07/990776307.db2.gz IUWKUZCQVWIVIZ-MRVPVSSYSA-N 1 2 245.273 1.696 20 0 BDADLO CCN(CC(F)F)C(=O)Cc1[nH]c[nH+]c1C ZINC001556141146 990807210 /nfs/dbraw/zinc/80/72/10/990807210.db2.gz ZZGDCGLXSKSNIV-UHFFFAOYSA-N 1 2 231.246 1.374 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)/C=C\C2CC2)o1 ZINC001125260691 990820595 /nfs/dbraw/zinc/82/05/95/990820595.db2.gz OPLYJOHXEBSMSB-PLNGDYQASA-N 1 2 249.314 1.155 20 0 BDADLO CCO/C=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001556482169 990829985 /nfs/dbraw/zinc/82/99/85/990829985.db2.gz SHCGCVNDNRXZLA-YWEYNIOJSA-N 1 2 231.255 1.823 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1cncnc1 ZINC001137670186 990838147 /nfs/dbraw/zinc/83/81/47/990838147.db2.gz BTECJEVHVSYFPQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1cncnc1 ZINC001137670186 990838149 /nfs/dbraw/zinc/83/81/49/990838149.db2.gz BTECJEVHVSYFPQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001556663731 990841527 /nfs/dbraw/zinc/84/15/27/990841527.db2.gz SRHFYRISOQUAHH-SNVBAGLBSA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001556663731 990841529 /nfs/dbraw/zinc/84/15/29/990841529.db2.gz SRHFYRISOQUAHH-SNVBAGLBSA-N 1 2 237.303 1.026 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1cnc(N)nc1 ZINC001138159862 990890685 /nfs/dbraw/zinc/89/06/85/990890685.db2.gz JAJVYDLCMYKHMS-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1cnc(N)nc1 ZINC001138159862 990890689 /nfs/dbraw/zinc/89/06/89/990890689.db2.gz JAJVYDLCMYKHMS-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC001138160927 990891029 /nfs/dbraw/zinc/89/10/29/990891029.db2.gz FFANDVVARYSHBN-LLVKDONJSA-N 1 2 224.283 1.383 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC001138160927 990891034 /nfs/dbraw/zinc/89/10/34/990891034.db2.gz FFANDVVARYSHBN-LLVKDONJSA-N 1 2 224.283 1.383 20 0 BDADLO CCOc1cccc(NC(=O)[C@@H]2CC[N@@H+]2CC)n1 ZINC001557502490 990894241 /nfs/dbraw/zinc/89/42/41/990894241.db2.gz OCUFOVDDLSCCQY-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO CCOc1cccc(NC(=O)[C@@H]2CC[N@H+]2CC)n1 ZINC001557502490 990894243 /nfs/dbraw/zinc/89/42/43/990894243.db2.gz OCUFOVDDLSCCQY-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1cnc(N)nc1 ZINC001138169445 990896924 /nfs/dbraw/zinc/89/69/24/990896924.db2.gz HFSVVSRGTKMXIW-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1cnc(N)nc1 ZINC001138169445 990896926 /nfs/dbraw/zinc/89/69/26/990896926.db2.gz HFSVVSRGTKMXIW-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccns1 ZINC001557779860 990911768 /nfs/dbraw/zinc/91/17/68/990911768.db2.gz JKDXMVBMPBYQKN-UHFFFAOYSA-N 1 2 208.246 1.047 20 0 BDADLO Oc1cc(O)cc(C[N@@H+]2CCCC23COC3)c1 ZINC001138329788 990917431 /nfs/dbraw/zinc/91/74/31/990917431.db2.gz IALZLDCQWCMHDO-UHFFFAOYSA-N 1 2 235.283 1.463 20 0 BDADLO Oc1cc(O)cc(C[N@H+]2CCCC23COC3)c1 ZINC001138329788 990917436 /nfs/dbraw/zinc/91/74/36/990917436.db2.gz IALZLDCQWCMHDO-UHFFFAOYSA-N 1 2 235.283 1.463 20 0 BDADLO C[N@H+](Cc1cc(O)cc(O)c1)C1(C)COC1 ZINC001138331407 990920261 /nfs/dbraw/zinc/92/02/61/990920261.db2.gz YOXZLIYSJVVHFB-UHFFFAOYSA-N 1 2 223.272 1.319 20 0 BDADLO C[N@@H+](Cc1cc(O)cc(O)c1)C1(C)COC1 ZINC001138331407 990920268 /nfs/dbraw/zinc/92/02/68/990920268.db2.gz YOXZLIYSJVVHFB-UHFFFAOYSA-N 1 2 223.272 1.319 20 0 BDADLO CC[N@H+](Cc1cc(O)cc(O)c1)C1CN(C)C1 ZINC001138333176 990920711 /nfs/dbraw/zinc/92/07/11/990920711.db2.gz RRINZIAKIBNSRE-UHFFFAOYSA-N 1 2 236.315 1.234 20 0 BDADLO CC[N@@H+](Cc1cc(O)cc(O)c1)C1CN(C)C1 ZINC001138333176 990920716 /nfs/dbraw/zinc/92/07/16/990920716.db2.gz RRINZIAKIBNSRE-UHFFFAOYSA-N 1 2 236.315 1.234 20 0 BDADLO Cn1c2ccccc2nc1C[NH+]1CCC1 ZINC001138375483 990923729 /nfs/dbraw/zinc/92/37/29/990923729.db2.gz PPIJJBMNQWHXGR-UHFFFAOYSA-N 1 2 201.273 1.779 20 0 BDADLO COc1ccc(C)cc1C[N@H+](C)C1COC1 ZINC001138487150 990960671 /nfs/dbraw/zinc/96/06/71/990960671.db2.gz DYGQXBVBJLWEBA-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COc1ccc(C)cc1C[N@@H+](C)C1COC1 ZINC001138487150 990960677 /nfs/dbraw/zinc/96/06/77/990960677.db2.gz DYGQXBVBJLWEBA-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138485526 990962808 /nfs/dbraw/zinc/96/28/08/990962808.db2.gz ZBFKQWFGTQJVSI-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138485526 990962816 /nfs/dbraw/zinc/96/28/16/990962816.db2.gz ZBFKQWFGTQJVSI-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO Cc1cc(C)cc(NC(=O)NC2C[NH+](C)C2)c1 ZINC001202850255 990989934 /nfs/dbraw/zinc/98/99/34/990989934.db2.gz WNSVUUHLCIOUDN-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO c1cc(C[NH+]2CCC2)n([C@H]2CCCCO2)n1 ZINC001138773734 991042813 /nfs/dbraw/zinc/04/28/13/991042813.db2.gz LONSBXMPOFKRRU-GFCCVEGCSA-N 1 2 221.304 1.788 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cccnc1F ZINC001138791548 991057675 /nfs/dbraw/zinc/05/76/75/991057675.db2.gz JGIRECTZTRUBFS-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cccnc1F ZINC001138791548 991057682 /nfs/dbraw/zinc/05/76/82/991057682.db2.gz JGIRECTZTRUBFS-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO OCCOc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001138803149 991058077 /nfs/dbraw/zinc/05/80/77/991058077.db2.gz NNGTYZJPDXWBPN-KGLIPLIRSA-N 1 2 249.310 1.031 20 0 BDADLO OCCOc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001138803149 991058087 /nfs/dbraw/zinc/05/80/87/991058087.db2.gz NNGTYZJPDXWBPN-KGLIPLIRSA-N 1 2 249.310 1.031 20 0 BDADLO COCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001138818340 991071361 /nfs/dbraw/zinc/07/13/61/991071361.db2.gz LFMXRCHTVTWRFZ-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)cnc1Cl ZINC001138891098 991093507 /nfs/dbraw/zinc/09/35/07/991093507.db2.gz MRZFZCKALOTCRA-GMSGAONNSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)cnc1Cl ZINC001138891098 991093520 /nfs/dbraw/zinc/09/35/20/991093520.db2.gz MRZFZCKALOTCRA-GMSGAONNSA-N 1 2 244.697 1.829 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC001308705067 991103258 /nfs/dbraw/zinc/10/32/58/991103258.db2.gz SKVOAEZJMWTYML-JQWIXIFHSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc(C)n1 ZINC001308712787 991104232 /nfs/dbraw/zinc/10/42/32/991104232.db2.gz BETHFKKGUWNDPC-OKILXGFUSA-N 1 2 248.326 1.298 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc(C)n1 ZINC001308712787 991104240 /nfs/dbraw/zinc/10/42/40/991104240.db2.gz BETHFKKGUWNDPC-OKILXGFUSA-N 1 2 248.326 1.298 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)Cc2ccco2)CC1=O ZINC001258194044 991104798 /nfs/dbraw/zinc/10/47/98/991104798.db2.gz AOCFCURESJWXTF-LLVKDONJSA-N 1 2 236.315 1.375 20 0 BDADLO CCN1CC[N@H+]([C@H](C)Cc2ccco2)CC1=O ZINC001258194044 991104807 /nfs/dbraw/zinc/10/48/07/991104807.db2.gz AOCFCURESJWXTF-LLVKDONJSA-N 1 2 236.315 1.375 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2nc(C)c[nH]2)C1 ZINC001138942808 991107951 /nfs/dbraw/zinc/10/79/51/991107951.db2.gz RFZLADMQRVWTSR-SECBINFHSA-N 1 2 209.293 1.185 20 0 BDADLO CCc1cn(Cc2cc(C)n(C)n2)c[nH+]1 ZINC001559466511 991113191 /nfs/dbraw/zinc/11/31/91/991113191.db2.gz WWGUFKWHZNHBRH-UHFFFAOYSA-N 1 2 204.277 1.536 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001138943101 991115958 /nfs/dbraw/zinc/11/59/58/991115958.db2.gz WTDRNACQHFTWLI-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001138943101 991115961 /nfs/dbraw/zinc/11/59/61/991115961.db2.gz WTDRNACQHFTWLI-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCCC(=O)CC1 ZINC001139096465 991143678 /nfs/dbraw/zinc/14/36/78/991143678.db2.gz UHUVXAKNBAFDPL-UHFFFAOYSA-N 1 2 221.304 1.582 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCCC(=O)CC1 ZINC001139096465 991143694 /nfs/dbraw/zinc/14/36/94/991143694.db2.gz UHUVXAKNBAFDPL-UHFFFAOYSA-N 1 2 221.304 1.582 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001139094565 991143863 /nfs/dbraw/zinc/14/38/63/991143863.db2.gz LNUMIWVUADFLLJ-LLVKDONJSA-N 1 2 239.294 1.530 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001139094565 991143867 /nfs/dbraw/zinc/14/38/67/991143867.db2.gz LNUMIWVUADFLLJ-LLVKDONJSA-N 1 2 239.294 1.530 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)C1(C)COC1 ZINC001139099911 991147005 /nfs/dbraw/zinc/14/70/05/991147005.db2.gz AXGKLNMVDNPZNM-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)C1(C)COC1 ZINC001139099911 991146998 /nfs/dbraw/zinc/14/69/98/991146998.db2.gz AXGKLNMVDNPZNM-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO CCn1cncc1C[NH2+]Cc1ncccc1OC ZINC001308820975 991158248 /nfs/dbraw/zinc/15/82/48/991158248.db2.gz SRVLETGBFJBGMB-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cnc(N)s1)C2 ZINC001139230548 991208627 /nfs/dbraw/zinc/20/86/27/991208627.db2.gz BQCMWGGBABTQLN-UHFFFAOYSA-N 1 2 249.343 1.017 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001308914054 991215286 /nfs/dbraw/zinc/21/52/86/991215286.db2.gz JQUNJHYJLIHFPX-CSMHCCOUSA-N 1 2 241.303 1.053 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCC[C@H](C)O)no1 ZINC001559731695 991232447 /nfs/dbraw/zinc/23/24/47/991232447.db2.gz UBRSFIWAILBLSB-JGVFFNPUSA-N 1 2 213.281 1.190 20 0 BDADLO CCCC[N@H+](C)Cc1c(N)ncnc1Cl ZINC001139434928 991239109 /nfs/dbraw/zinc/23/91/09/991239109.db2.gz CITQEZJENSMULG-UHFFFAOYSA-N 1 2 228.727 1.944 20 0 BDADLO CCCC[N@@H+](C)Cc1c(N)ncnc1Cl ZINC001139434928 991239120 /nfs/dbraw/zinc/23/91/20/991239120.db2.gz CITQEZJENSMULG-UHFFFAOYSA-N 1 2 228.727 1.944 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC001139453017 991241529 /nfs/dbraw/zinc/24/15/29/991241529.db2.gz BLCQMMSFTIQDHO-UHFFFAOYSA-N 1 2 221.304 1.168 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC001139453017 991241539 /nfs/dbraw/zinc/24/15/39/991241539.db2.gz BLCQMMSFTIQDHO-UHFFFAOYSA-N 1 2 221.304 1.168 20 0 BDADLO COCC1C[NH+](Cc2cn3c(cccc3F)n2)C1 ZINC001139571229 991281230 /nfs/dbraw/zinc/28/12/30/991281230.db2.gz TXIRJIMVYGBOTA-UHFFFAOYSA-N 1 2 249.289 1.552 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001139606966 991284498 /nfs/dbraw/zinc/28/44/98/991284498.db2.gz WJILYIOEOPDTED-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001139606966 991284510 /nfs/dbraw/zinc/28/45/10/991284510.db2.gz WJILYIOEOPDTED-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO CCOc1ccncc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001139632954 991308016 /nfs/dbraw/zinc/30/80/16/991308016.db2.gz WTEAHTITEKCOJJ-YPMHNXCESA-N 1 2 234.299 1.453 20 0 BDADLO CCOc1ccncc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001139632954 991308026 /nfs/dbraw/zinc/30/80/26/991308026.db2.gz WTEAHTITEKCOJJ-YPMHNXCESA-N 1 2 234.299 1.453 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)nc1 ZINC001559899705 991309863 /nfs/dbraw/zinc/30/98/63/991309863.db2.gz PGGKGYZSRLBYPH-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO COC(=O)CC[C@H](C)[NH+]1CC2(C1)CCCO2 ZINC001258367317 991313952 /nfs/dbraw/zinc/31/39/52/991313952.db2.gz KNCCTKYISKBSEU-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CCCCOC1C[NH+]([C@H](C)CCC(=O)OC)C1 ZINC001258369117 991322653 /nfs/dbraw/zinc/32/26/53/991322653.db2.gz CKCHIWDJDLLSEZ-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO c1nc2c(cc1C[NH+]1CCC1)OCCO2 ZINC001139730489 991348255 /nfs/dbraw/zinc/34/82/55/991348255.db2.gz ABXIWDDQFPASSM-UHFFFAOYSA-N 1 2 206.245 1.059 20 0 BDADLO Cc1cnc(C[N@H+](C)CCn2cnnc2)s1 ZINC001560116104 991385683 /nfs/dbraw/zinc/38/56/83/991385683.db2.gz RKQAUAFJDIXKRO-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCn2cnnc2)s1 ZINC001560116104 991385693 /nfs/dbraw/zinc/38/56/93/991385693.db2.gz RKQAUAFJDIXKRO-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2nccn2C)C1 ZINC001560143885 991392194 /nfs/dbraw/zinc/39/21/94/991392194.db2.gz MGKGNNNDVDESOX-JTQLQIEISA-N 1 2 245.330 1.338 20 0 BDADLO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2nccn2C)C1 ZINC001560143885 991392199 /nfs/dbraw/zinc/39/21/99/991392199.db2.gz MGKGNNNDVDESOX-JTQLQIEISA-N 1 2 245.330 1.338 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)cn2)C[C@H]1C ZINC001139842198 991398136 /nfs/dbraw/zinc/39/81/36/991398136.db2.gz AIUJXJBWKQCCFM-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)cn2)C[C@H]1C ZINC001139842198 991398144 /nfs/dbraw/zinc/39/81/44/991398144.db2.gz AIUJXJBWKQCCFM-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO C[C@@H](CC1CC1)N1CC[NH2+]CC(F)(F)C1 ZINC001258465012 991399982 /nfs/dbraw/zinc/39/99/82/991399982.db2.gz MQEVBDXREHPZIO-VIFPVBQESA-N 1 2 218.291 1.716 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccncc2Cl)CC[C@@H]1F ZINC001139845749 991401515 /nfs/dbraw/zinc/40/15/15/991401515.db2.gz QFFKXQIUSFTOBY-WDEREUQCSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@@H]1F ZINC001139845749 991401519 /nfs/dbraw/zinc/40/15/19/991401519.db2.gz QFFKXQIUSFTOBY-WDEREUQCSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)cn1 ZINC001139928932 991418499 /nfs/dbraw/zinc/41/84/99/991418499.db2.gz FWERPAHPAGZKRN-STQMWFEESA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)cn1 ZINC001139928932 991418503 /nfs/dbraw/zinc/41/85/03/991418503.db2.gz FWERPAHPAGZKRN-STQMWFEESA-N 1 2 238.306 1.542 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@H]2CC3(CCC3)CO2)n1 ZINC001560218814 991421625 /nfs/dbraw/zinc/42/16/25/991421625.db2.gz PACPHQMBPVBPII-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@H]2CC3(CCC3)CO2)n1 ZINC001560218814 991421631 /nfs/dbraw/zinc/42/16/31/991421631.db2.gz PACPHQMBPVBPII-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCCC[C@@]23CCOC3)n1 ZINC001560232628 991432252 /nfs/dbraw/zinc/43/22/52/991432252.db2.gz BNNGDMSMKIBOQD-ZDUSSCGKSA-N 1 2 248.330 1.204 20 0 BDADLO Nc1ccnc(C[N@H+]2CCCC[C@@]23CCOC3)n1 ZINC001560232628 991432258 /nfs/dbraw/zinc/43/22/58/991432258.db2.gz BNNGDMSMKIBOQD-ZDUSSCGKSA-N 1 2 248.330 1.204 20 0 BDADLO Cn1ncc2cc(C[NH+]3CC4(CCO4)C3)ccc21 ZINC001139952577 991432354 /nfs/dbraw/zinc/43/23/54/991432354.db2.gz PEDBPJRDXPFFOM-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2cccnn2)C1 ZINC001139970223 991433827 /nfs/dbraw/zinc/43/38/27/991433827.db2.gz ORXLVAYPLTVYLL-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2cccnn2)C1 ZINC001139970223 991433841 /nfs/dbraw/zinc/43/38/41/991433841.db2.gz ORXLVAYPLTVYLL-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccnn1)C2 ZINC001139971601 991445008 /nfs/dbraw/zinc/44/50/08/991445008.db2.gz IPCQHENLQWIMGN-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccnn1)C2 ZINC001139971601 991445014 /nfs/dbraw/zinc/44/50/14/991445014.db2.gz IPCQHENLQWIMGN-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO c1cc(C[N@@H+]2CCCCC23COC3)cnn1 ZINC001139983631 991460035 /nfs/dbraw/zinc/46/00/35/991460035.db2.gz ZRSHXQIXTWSVLC-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO c1cc(C[N@H+]2CCCCC23COC3)cnn1 ZINC001139983631 991460038 /nfs/dbraw/zinc/46/00/38/991460038.db2.gz ZRSHXQIXTWSVLC-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCC3)cnn1 ZINC001139983824 991461007 /nfs/dbraw/zinc/46/10/07/991461007.db2.gz MBNCZGDUVMYRGH-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCC3)cnn1 ZINC001139983824 991461009 /nfs/dbraw/zinc/46/10/09/991461009.db2.gz MBNCZGDUVMYRGH-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)nc2)CCCO1 ZINC001139988272 991470190 /nfs/dbraw/zinc/47/01/90/991470190.db2.gz SIWFQGYBAAHVAS-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)nc2)CCCO1 ZINC001139988272 991470195 /nfs/dbraw/zinc/47/01/95/991470195.db2.gz SIWFQGYBAAHVAS-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO CC[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001317241126 991475496 /nfs/dbraw/zinc/47/54/96/991475496.db2.gz IZJNTKIKQCLSDD-NTSWFWBYSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+][C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001317241126 991475501 /nfs/dbraw/zinc/47/55/01/991475501.db2.gz IZJNTKIKQCLSDD-NTSWFWBYSA-N 1 2 230.205 1.001 20 0 BDADLO CC[N@H+](Cc1ccncc1)Cc1nccnc1N ZINC001140008512 991476597 /nfs/dbraw/zinc/47/65/97/991476597.db2.gz SGFSUEVCFBXQGT-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO CC[N@@H+](Cc1ccncc1)Cc1nccnc1N ZINC001140008512 991476604 /nfs/dbraw/zinc/47/66/04/991476604.db2.gz SGFSUEVCFBXQGT-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO CCCn1c[nH+]cc1CN[C@H](C)c1ncnn1C ZINC001560462157 991480952 /nfs/dbraw/zinc/48/09/52/991480952.db2.gz CIEJYKNWUWRXBQ-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO CNc1nccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001140040378 991494606 /nfs/dbraw/zinc/49/46/06/991494606.db2.gz KHJLGDNDRUOOAU-INTQDDNPSA-N 1 2 236.294 1.308 20 0 BDADLO CNc1nccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001140040378 991494609 /nfs/dbraw/zinc/49/46/09/991494609.db2.gz KHJLGDNDRUOOAU-INTQDDNPSA-N 1 2 236.294 1.308 20 0 BDADLO CNc1nccc(C[N@@H+]2CCC[C@H]2C(C)=O)n1 ZINC001140044652 991499228 /nfs/dbraw/zinc/49/92/28/991499228.db2.gz MRPFPFFIWPAYIX-NSHDSACASA-N 1 2 234.303 1.072 20 0 BDADLO CNc1nccc(C[N@H+]2CCC[C@H]2C(C)=O)n1 ZINC001140044652 991499235 /nfs/dbraw/zinc/49/92/35/991499235.db2.gz MRPFPFFIWPAYIX-NSHDSACASA-N 1 2 234.303 1.072 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140104111 991522786 /nfs/dbraw/zinc/52/27/86/991522786.db2.gz CZUYYECZJVYARE-SNVBAGLBSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140104111 991522794 /nfs/dbraw/zinc/52/27/94/991522794.db2.gz CZUYYECZJVYARE-SNVBAGLBSA-N 1 2 246.232 1.667 20 0 BDADLO Fc1cccc(C[NH+]2CC3(C2)CCCOC3)n1 ZINC001140131888 991530134 /nfs/dbraw/zinc/53/01/34/991530134.db2.gz YGDHCDITQVKXLA-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccncc2O)cn1 ZINC001140281020 991601839 /nfs/dbraw/zinc/60/18/39/991601839.db2.gz TVFCUSXIFQEMKQ-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccncc2O)cn1 ZINC001140281020 991601848 /nfs/dbraw/zinc/60/18/48/991601848.db2.gz TVFCUSXIFQEMKQ-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258686269 991619632 /nfs/dbraw/zinc/61/96/32/991619632.db2.gz ASSHILMDIUIPSO-GARJFASQSA-N 1 2 243.347 1.325 20 0 BDADLO N#CN1CC[NH+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001140389813 991635119 /nfs/dbraw/zinc/63/51/19/991635119.db2.gz ILKHKAMZWBWXKS-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO Cc1cccnc1CNc1cc(CO)cc[nH+]1 ZINC001560895958 991640949 /nfs/dbraw/zinc/64/09/49/991640949.db2.gz GRSFLOQTAMSHPV-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO O=C(NC1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001318315553 991645007 /nfs/dbraw/zinc/64/50/07/991645007.db2.gz OUUOHVFNTDDUER-LLVKDONJSA-N 1 2 234.303 1.392 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(O)c(F)c2F)C[C@@H]1O ZINC001474722931 991662434 /nfs/dbraw/zinc/66/24/34/991662434.db2.gz QWUDYUVARVDDFA-XCBNKYQSSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)C[C@@H]1O ZINC001474722931 991662441 /nfs/dbraw/zinc/66/24/41/991662441.db2.gz QWUDYUVARVDDFA-XCBNKYQSSA-N 1 2 243.253 1.483 20 0 BDADLO CSCC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318609670 991685313 /nfs/dbraw/zinc/68/53/13/991685313.db2.gz BXKZRDYTLQCQKK-VHSXEESVSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@H](C(=O)NCC(C1CC1)C1CC1)n1cc[nH+]c1 ZINC001318738330 991710453 /nfs/dbraw/zinc/71/04/53/991710453.db2.gz WIFNDESLVJOIKI-SNVBAGLBSA-N 1 2 247.342 1.997 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001563780472 991757696 /nfs/dbraw/zinc/75/76/96/991757696.db2.gz CTDGPJZAHQQLKL-WCBMZHEXSA-N 1 2 234.303 1.119 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258809409 991814664 /nfs/dbraw/zinc/81/46/64/991814664.db2.gz ZFTLLKXBJSPXLZ-DCAQKATOSA-N 1 2 229.320 1.079 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n[nH]2)C[C@@H](C)O1 ZINC001319700035 991937226 /nfs/dbraw/zinc/93/72/26/991937226.db2.gz IPDWDSUSXAYAQM-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n[nH]2)C[C@@H](C)O1 ZINC001319700035 991937236 /nfs/dbraw/zinc/93/72/36/991937236.db2.gz IPDWDSUSXAYAQM-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@](C)(CCO)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319892889 992019765 /nfs/dbraw/zinc/01/97/65/992019765.db2.gz CKCNAIQOEPQQLK-ZYHUDNBSSA-N 1 2 239.319 1.111 20 0 BDADLO CS[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CCF ZINC001567359098 992023494 /nfs/dbraw/zinc/02/34/94/992023494.db2.gz FYTXRXPYWYKHGE-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001567359098 992023501 /nfs/dbraw/zinc/02/35/01/992023501.db2.gz FYTXRXPYWYKHGE-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO O=S(=O)(Nc1cccc2[nH+]ccn21)C(F)F ZINC001259949540 992047085 /nfs/dbraw/zinc/04/70/85/992047085.db2.gz VWGGYJJZDKKLLE-UHFFFAOYSA-N 1 2 247.226 1.299 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCOCC1 ZINC001261087450 992175672 /nfs/dbraw/zinc/17/56/72/992175672.db2.gz PMUXCJUOWDAGPU-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO FC(F)(F)Cc1nnc(Cn2cc[nH+]c2)o1 ZINC001261212303 992195430 /nfs/dbraw/zinc/19/54/30/992195430.db2.gz XIFWDXJREYAOMS-UHFFFAOYSA-N 1 2 232.165 1.419 20 0 BDADLO Cc1cc(C[N@@H+](C)CCCOC(C)C)n[nH]1 ZINC001261255738 992228838 /nfs/dbraw/zinc/22/88/38/992228838.db2.gz IPFMQENWJDZUIV-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO Cc1cc(C[N@H+](C)CCCOC(C)C)n[nH]1 ZINC001261255738 992228848 /nfs/dbraw/zinc/22/88/48/992228848.db2.gz IPFMQENWJDZUIV-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H](CC)OC)CCCC1 ZINC001261379808 992282076 /nfs/dbraw/zinc/28/20/76/992282076.db2.gz MYICPQVDFQSAII-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001320660610 992296827 /nfs/dbraw/zinc/29/68/27/992296827.db2.gz AQUDWZHUYGNEOQ-HBNTYKKESA-N 1 2 237.303 1.128 20 0 BDADLO CCC(=O)N[C@@H](C)C[N@H+](C)Cc1nocc1C ZINC001569102150 992306501 /nfs/dbraw/zinc/30/65/01/992306501.db2.gz NHKXNPPWXMYQNK-JTQLQIEISA-N 1 2 239.319 1.330 20 0 BDADLO CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1nocc1C ZINC001569102150 992306514 /nfs/dbraw/zinc/30/65/14/992306514.db2.gz NHKXNPPWXMYQNK-JTQLQIEISA-N 1 2 239.319 1.330 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321049352 992442843 /nfs/dbraw/zinc/44/28/43/992442843.db2.gz UCRFREVUNXTLSN-MRVPVSSYSA-N 1 2 231.246 1.558 20 0 BDADLO CON(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001261728625 992469683 /nfs/dbraw/zinc/46/96/83/992469683.db2.gz YTSUGOZJLGKCCO-NXEZZACHSA-N 1 2 237.303 1.322 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCCOCC1 ZINC001261783579 992511074 /nfs/dbraw/zinc/51/10/74/992511074.db2.gz RLJDTNBSYKBMKB-WDEREUQCSA-N 1 2 249.314 1.261 20 0 BDADLO CC1(C)CC[N@H+](CC[NH2+]C2CC(C(=O)[O-])C2)C1 ZINC001573667667 992673787 /nfs/dbraw/zinc/67/37/87/992673787.db2.gz RPKGTUMMIHKAGG-UHFFFAOYSA-N 1 2 240.347 1.171 20 0 BDADLO CC1(C)CC[N@@H+](CC[NH2+]C2CC(C(=O)[O-])C2)C1 ZINC001573667667 992673794 /nfs/dbraw/zinc/67/37/94/992673794.db2.gz RPKGTUMMIHKAGG-UHFFFAOYSA-N 1 2 240.347 1.171 20 0 BDADLO Cc1cc[nH+]c(N)c1CNCC(F)F ZINC001262111394 992679918 /nfs/dbraw/zinc/67/99/18/992679918.db2.gz FCZWWWBOTLAEPL-UHFFFAOYSA-N 1 2 201.220 1.327 20 0 BDADLO C[C@@H](C(=O)NCC=C(Cl)Cl)n1cc[nH+]c1 ZINC001262144187 992695137 /nfs/dbraw/zinc/69/51/37/992695137.db2.gz OHCLFNRUSBBHAG-ZETCQYMHSA-N 1 2 248.113 1.879 20 0 BDADLO C[C@H](C(=O)NC[C@H]1C[C@H]1[C@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001262152050 992697050 /nfs/dbraw/zinc/69/70/50/992697050.db2.gz CZLPMIITXLEVBE-NJMOYASZSA-N 1 2 247.342 1.852 20 0 BDADLO O=C(NC1CCC(=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001262189970 992780232 /nfs/dbraw/zinc/78/02/32/992780232.db2.gz ZFLXYHREOJLVTJ-GHMZBOCLSA-N 1 2 247.298 1.141 20 0 BDADLO O=C(NC1CCC(=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001262189970 992780243 /nfs/dbraw/zinc/78/02/43/992780243.db2.gz ZFLXYHREOJLVTJ-GHMZBOCLSA-N 1 2 247.298 1.141 20 0 BDADLO C[C@H](CC(=O)NC1CCC(=O)CC1)n1cc[nH+]c1 ZINC001262189786 992781042 /nfs/dbraw/zinc/78/10/42/992781042.db2.gz QWQOLXYQTFERFZ-SNVBAGLBSA-N 1 2 249.314 1.462 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cc(CO)on2)ccn1 ZINC001262205470 992801963 /nfs/dbraw/zinc/80/19/63/992801963.db2.gz UBASVCRKJUTMNK-SNVBAGLBSA-N 1 2 247.298 1.721 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)OC ZINC001262275919 992820084 /nfs/dbraw/zinc/82/00/84/992820084.db2.gz PGLROBFTVPQXTQ-NOHGZBONSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CCc2nn[nH]c2C1 ZINC001262273492 992830919 /nfs/dbraw/zinc/83/09/19/992830919.db2.gz ZCZCLLYTFJVYIV-MRVPVSSYSA-N 1 2 247.277 1.458 20 0 BDADLO C[C@H](c1ccc(F)nc1)[N@H+]1CCc2nn[nH]c2C1 ZINC001262273492 992830922 /nfs/dbraw/zinc/83/09/22/992830922.db2.gz ZCZCLLYTFJVYIV-MRVPVSSYSA-N 1 2 247.277 1.458 20 0 BDADLO C[C@H](C(=O)N[C@H]1COC(C)(C)C1)n1cc[nH+]c1 ZINC001262385316 992874908 /nfs/dbraw/zinc/87/49/08/992874908.db2.gz HKQVUANTAAAJRF-NXEZZACHSA-N 1 2 237.303 1.128 20 0 BDADLO CCc1ccc(N2C[C@H](CO)OC[C@@H]2C)[nH+]c1 ZINC001262687752 993029322 /nfs/dbraw/zinc/02/93/22/993029322.db2.gz WCNHSHBJZLLJBE-CMPLNLGQSA-N 1 2 236.315 1.230 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC001262735077 993056416 /nfs/dbraw/zinc/05/64/16/993056416.db2.gz RASUFODXFWHANM-YPMHNXCESA-N 1 2 248.326 1.874 20 0 BDADLO CNc1cc(N2CCC[C@H]2C[C@H](C)O)nc[nH+]1 ZINC000379931659 993299803 /nfs/dbraw/zinc/29/98/03/993299803.db2.gz UVQFBHJGOCITRH-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N2CCC[C@H]2C[C@H](C)O)[nH+]cn1 ZINC000379931659 993299813 /nfs/dbraw/zinc/29/98/13/993299813.db2.gz UVQFBHJGOCITRH-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC(F)F ZINC000381365770 993387920 /nfs/dbraw/zinc/38/79/20/993387920.db2.gz GDGPTSWROQBVNW-UHFFFAOYSA-N 1 2 227.218 1.430 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000381337975 993388839 /nfs/dbraw/zinc/38/88/39/993388839.db2.gz WMYYSZXTENZQAI-SECBINFHSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)Oc1ccc[nH+]c1NCCn1cnnc1 ZINC000381344123 993389521 /nfs/dbraw/zinc/38/95/21/993389521.db2.gz CKXBDQFVILILLL-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO C[C@H]1CN(Cc2cccc(N)[nH+]2)CCC1=O ZINC000381578211 993407102 /nfs/dbraw/zinc/40/71/02/993407102.db2.gz ZEVPGTOORSSMNH-VIFPVBQESA-N 1 2 219.288 1.075 20 0 BDADLO CSC[C@@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC000381578238 993407817 /nfs/dbraw/zinc/40/78/17/993407817.db2.gz ZFVIMONPSZLMDC-SECBINFHSA-N 1 2 238.360 1.638 20 0 BDADLO CCC(C)(C)CNC(=O)CCc1[nH+]ccn1C ZINC001263798954 993527655 /nfs/dbraw/zinc/52/76/55/993527655.db2.gz CVSFANYEQGOODE-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CN(C)c1ccc(Nc2[nH+]cccc2N)cn1 ZINC000387159604 993702285 /nfs/dbraw/zinc/70/22/85/993702285.db2.gz CYWAHPYGOFMLNH-UHFFFAOYSA-N 1 2 229.287 1.868 20 0 BDADLO COC(=O)C1([NH2+]C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000390648207 993798427 /nfs/dbraw/zinc/79/84/27/993798427.db2.gz OMJSNDDWLSSQDA-IUCAKERBSA-N 1 2 227.304 1.238 20 0 BDADLO Oc1ccc(C[N@@H+]2CCC[C@H](F)C2)nc1 ZINC000701674112 993898162 /nfs/dbraw/zinc/89/81/62/993898162.db2.gz OPVDDOIGYHPVMK-VIFPVBQESA-N 1 2 210.252 1.721 20 0 BDADLO Oc1ccc(C[N@H+]2CCC[C@H](F)C2)nc1 ZINC000701674112 993898167 /nfs/dbraw/zinc/89/81/67/993898167.db2.gz OPVDDOIGYHPVMK-VIFPVBQESA-N 1 2 210.252 1.721 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000724785605 994078223 /nfs/dbraw/zinc/07/82/23/994078223.db2.gz AWVOQILQCLYSLN-VIFPVBQESA-N 1 2 249.236 1.481 20 0 BDADLO Cc1[nH]cc(CN2CCO[C@H](C(F)(F)F)C2)[nH+]1 ZINC000724785605 994078229 /nfs/dbraw/zinc/07/82/29/994078229.db2.gz AWVOQILQCLYSLN-VIFPVBQESA-N 1 2 249.236 1.481 20 0 BDADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)CC ZINC001280396677 994111425 /nfs/dbraw/zinc/11/14/25/994111425.db2.gz JJZYCHLXNISDCL-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)CC ZINC001280396677 994111435 /nfs/dbraw/zinc/11/14/35/994111435.db2.gz JJZYCHLXNISDCL-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(C(=O)[O-])co1 ZINC001593249746 994481142 /nfs/dbraw/zinc/48/11/42/994481142.db2.gz PDFDULKOKMUXLO-QMMMGPOBSA-N 1 2 238.287 1.510 20 0 BDADLO CCc1nc(N[C@H](C)C[S@](C)=O)cc[nH+]1 ZINC001333929060 994537050 /nfs/dbraw/zinc/53/70/50/994537050.db2.gz ZJJDKJYOVGHVSN-GLEZIHRCSA-N 1 2 227.333 1.218 20 0 BDADLO CCc1nc(N[C@@H](C)C[S@@](C)=O)cc[nH+]1 ZINC001333929061 994539258 /nfs/dbraw/zinc/53/92/58/994539258.db2.gz ZJJDKJYOVGHVSN-VXJOIVPMSA-N 1 2 227.333 1.218 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(Cl)nc1 ZINC001290622074 994549517 /nfs/dbraw/zinc/54/95/17/994549517.db2.gz MSYDJSYYTHJDCI-SECBINFHSA-N 1 2 239.706 1.768 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(Cl)nc1 ZINC001290622074 994549524 /nfs/dbraw/zinc/54/95/24/994549524.db2.gz MSYDJSYYTHJDCI-SECBINFHSA-N 1 2 239.706 1.768 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC(F)(F)F ZINC001292064207 994600197 /nfs/dbraw/zinc/60/01/97/994600197.db2.gz JNQCCRXOWJYLCY-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(C)CC(F)(F)F ZINC001292064207 994600204 /nfs/dbraw/zinc/60/02/04/994600204.db2.gz JNQCCRXOWJYLCY-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@@H](C(=O)N1CCOCC[C@@H]1C)n1cc[nH+]c1 ZINC001334806273 994642555 /nfs/dbraw/zinc/64/25/55/994642555.db2.gz ODDXBUIUEUHMPC-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)CC1(C(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC001293451668 994655458 /nfs/dbraw/zinc/65/54/58/994655458.db2.gz WMJJLZQQLAFVGO-UHFFFAOYSA-N 1 2 246.310 1.900 20 0 BDADLO CN(Cc1cccc(O)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001294673831 994704297 /nfs/dbraw/zinc/70/42/97/994704297.db2.gz IASCRKCAGOQLRM-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001296698957 994828842 /nfs/dbraw/zinc/82/88/42/994828842.db2.gz XCEIQNAVAVWVLM-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ncc[nH]1 ZINC001296812334 994836346 /nfs/dbraw/zinc/83/63/46/994836346.db2.gz DXLYDLKSRIAMSD-VIFPVBQESA-N 1 2 247.302 1.251 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)[C@]12C[C@H]1CCC2 ZINC001298841693 994954588 /nfs/dbraw/zinc/95/45/88/994954588.db2.gz PHNGZOHFINJXBG-ZWNOBZJWSA-N 1 2 231.299 1.416 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC001339103331 995252484 /nfs/dbraw/zinc/25/24/84/995252484.db2.gz OBEBYCZMVUNLPG-VXGBXAGGSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001339100849 995255446 /nfs/dbraw/zinc/25/54/46/995255446.db2.gz AAAVZVBAMNQQHO-KCJUWKMLSA-N 1 2 234.299 1.484 20 0 BDADLO FC1(F)[C@@H]2CC[N@H+](Cc3ncccn3)C[C@@H]21 ZINC001307598012 995410640 /nfs/dbraw/zinc/41/06/40/995410640.db2.gz SHUSRSJJMITDEC-BDAKNGLRSA-N 1 2 225.242 1.564 20 0 BDADLO FC1(F)[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]21 ZINC001307598012 995410643 /nfs/dbraw/zinc/41/06/43/995410643.db2.gz SHUSRSJJMITDEC-BDAKNGLRSA-N 1 2 225.242 1.564 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CNC(=O)C1 ZINC001308154888 995575012 /nfs/dbraw/zinc/57/50/12/995575012.db2.gz VDYBTTMIMRIPIS-RKDXNWHRSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@H+]1C[C@H]1CNC(=O)C1 ZINC001308154888 995575016 /nfs/dbraw/zinc/57/50/16/995575016.db2.gz VDYBTTMIMRIPIS-RKDXNWHRSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@@H]1CC[N@H+](CC[NH2+]C2CC(CC(=O)[O-])C2)C1 ZINC001594419542 999567357 /nfs/dbraw/zinc/56/73/57/999567357.db2.gz JDKONLOHOSDUPB-VOMCLLRMSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(CC(=O)[O-])C2)C1 ZINC001594419542 999567358 /nfs/dbraw/zinc/56/73/58/999567358.db2.gz JDKONLOHOSDUPB-VOMCLLRMSA-N 1 2 240.347 1.171 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000336712623 398135528 /nfs/dbraw/zinc/13/55/28/398135528.db2.gz OBDAYFWZHPKPRB-RKDXNWHRSA-N 1 2 243.307 1.244 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000336712623 398135530 /nfs/dbraw/zinc/13/55/30/398135530.db2.gz OBDAYFWZHPKPRB-RKDXNWHRSA-N 1 2 243.307 1.244 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CCO[C@@H]2C[C@@H]21 ZINC000644865491 398138011 /nfs/dbraw/zinc/13/80/11/398138011.db2.gz RFLFWISAXMUKPS-NWDGAFQWSA-N 1 2 247.273 1.690 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)CSC)[nH+]1 ZINC000602104007 349442352 /nfs/dbraw/zinc/44/23/52/349442352.db2.gz SDPPYSGRNFEDCX-MRVPVSSYSA-N 1 2 241.360 1.382 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000290992792 349454123 /nfs/dbraw/zinc/45/41/23/349454123.db2.gz XONLVWPWNPUFEY-NSHDSACASA-N 1 2 249.314 1.183 20 0 BDADLO CCc1cc(N2CCN(C)C(=O)[C@@H]2C)nc(C)[nH+]1 ZINC000489992053 538917580 /nfs/dbraw/zinc/91/75/80/538917580.db2.gz LNZBJDHCOJTXGS-VIFPVBQESA-N 1 2 248.330 1.014 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000158806356 136214011 /nfs/dbraw/zinc/21/40/11/136214011.db2.gz RNZFFICOSQRDOW-NSHDSACASA-N 1 2 249.310 1.658 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000158806356 136214012 /nfs/dbraw/zinc/21/40/12/136214012.db2.gz RNZFFICOSQRDOW-NSHDSACASA-N 1 2 249.310 1.658 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cncnc3C2)ncn1 ZINC000330332621 178003843 /nfs/dbraw/zinc/00/38/43/178003843.db2.gz YANLXXOIOARBSI-UHFFFAOYSA-N 1 2 241.298 1.133 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cncnc3C2)ncn1 ZINC000330332621 178003844 /nfs/dbraw/zinc/00/38/44/178003844.db2.gz YANLXXOIOARBSI-UHFFFAOYSA-N 1 2 241.298 1.133 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ncn1 ZINC000292222384 178007793 /nfs/dbraw/zinc/00/77/93/178007793.db2.gz QVPPSZYFBAWLKX-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ncn1 ZINC000292222384 178007794 /nfs/dbraw/zinc/00/77/94/178007794.db2.gz QVPPSZYFBAWLKX-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C(F)F ZINC000389945071 398154072 /nfs/dbraw/zinc/15/40/72/398154072.db2.gz PMOKMXZOSZHIJP-NKWVEPMBSA-N 1 2 203.236 1.724 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H](C)CCO)s1 ZINC000649869370 398154408 /nfs/dbraw/zinc/15/44/08/398154408.db2.gz BGHKRHDZTPLBMX-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H](C)CCO)s1 ZINC000649869370 398154409 /nfs/dbraw/zinc/15/44/09/398154409.db2.gz BGHKRHDZTPLBMX-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1ncc(Cl)s1 ZINC000649869882 398156942 /nfs/dbraw/zinc/15/69/42/398156942.db2.gz OIDJVTUCMCKESI-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000649869882 398156945 /nfs/dbraw/zinc/15/69/45/398156945.db2.gz OIDJVTUCMCKESI-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C(F)F ZINC000390071803 398157789 /nfs/dbraw/zinc/15/77/89/398157789.db2.gz MBFCJJPJWYQHPR-RXMQYKEDSA-N 1 2 227.218 1.429 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(C)nn(C)c2C)no1 ZINC000044692488 178024295 /nfs/dbraw/zinc/02/42/95/178024295.db2.gz KQIJLRPKINJBJG-UHFFFAOYSA-N 1 2 234.303 1.623 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccs2)n(C)n1 ZINC000336741690 178029835 /nfs/dbraw/zinc/02/98/35/178029835.db2.gz WACPCLKLRLJYGX-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CO)c2ccsc2)on1 ZINC000336727132 178031657 /nfs/dbraw/zinc/03/16/57/178031657.db2.gz GMRCTBHAXOWSRZ-NSHDSACASA-N 1 2 238.312 1.868 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)no1 ZINC000356604839 178033285 /nfs/dbraw/zinc/03/32/85/178033285.db2.gz WEDIJJMOSUDFKM-LLVKDONJSA-N 1 2 237.303 1.082 20 0 BDADLO CC(F)(F)CC(=O)NCc1[nH]cc[nH+]1 ZINC000277423958 398174912 /nfs/dbraw/zinc/17/49/12/398174912.db2.gz BOOSGHVDHQTZOH-UHFFFAOYSA-N 1 2 203.192 1.071 20 0 BDADLO CCC(CC)C(=O)NC1=[NH+]CCS1 ZINC000005917393 168336871 /nfs/dbraw/zinc/33/68/71/168336871.db2.gz LKOSSRDAVOMKLI-UHFFFAOYSA-N 1 2 200.307 1.642 20 0 BDADLO COC[C@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000336743974 398181771 /nfs/dbraw/zinc/18/17/71/398181771.db2.gz YRJFNULPIJWROP-MRVPVSSYSA-N 1 2 230.695 1.463 20 0 BDADLO CCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882106 398162210 /nfs/dbraw/zinc/16/22/10/398162210.db2.gz KLNKEQGCBXDZEI-LBPRGKRZSA-N 1 2 223.320 1.594 20 0 BDADLO CCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882106 398162214 /nfs/dbraw/zinc/16/22/14/398162214.db2.gz KLNKEQGCBXDZEI-LBPRGKRZSA-N 1 2 223.320 1.594 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000649883304 398162291 /nfs/dbraw/zinc/16/22/91/398162291.db2.gz PPJFPWJAEMOPNU-OCCSQVGLSA-N 1 2 247.342 1.902 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1[C@@H]1C=CCCC1 ZINC000649883304 398162298 /nfs/dbraw/zinc/16/22/98/398162298.db2.gz PPJFPWJAEMOPNU-OCCSQVGLSA-N 1 2 247.342 1.902 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907946 398182822 /nfs/dbraw/zinc/18/28/22/398182822.db2.gz COWJUEHCDPLAET-CBAPKCEASA-N 1 2 243.261 1.002 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907946 398182825 /nfs/dbraw/zinc/18/28/25/398182825.db2.gz COWJUEHCDPLAET-CBAPKCEASA-N 1 2 243.261 1.002 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000649893263 398167276 /nfs/dbraw/zinc/16/72/76/398167276.db2.gz ZRHAPXFDKSFWNQ-MRVPVSSYSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)C2)s1 ZINC000649893263 398167279 /nfs/dbraw/zinc/16/72/79/398167279.db2.gz ZRHAPXFDKSFWNQ-MRVPVSSYSA-N 1 2 227.333 1.057 20 0 BDADLO Cc1cc(F)ccc1C[NH+]1CCOCC1 ZINC000154524445 178084972 /nfs/dbraw/zinc/08/49/72/178084972.db2.gz AJFPGDZJTXSMLW-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(N)nc2)[C@H]1C ZINC000380547799 398199677 /nfs/dbraw/zinc/19/96/77/398199677.db2.gz XUIREMZWCRLBEO-VHSXEESVSA-N 1 2 221.304 1.103 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(N)nc2)[C@H]1C ZINC000380547799 398199678 /nfs/dbraw/zinc/19/96/78/398199678.db2.gz XUIREMZWCRLBEO-VHSXEESVSA-N 1 2 221.304 1.103 20 0 BDADLO Cc1cc(N(C)CCCCO)nc(C2CC2)[nH+]1 ZINC000276222341 178098326 /nfs/dbraw/zinc/09/83/26/178098326.db2.gz MBUKVOKBSXVUCU-UHFFFAOYSA-N 1 2 235.331 1.871 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCCCO2)nc[nH+]1 ZINC000301241820 178098764 /nfs/dbraw/zinc/09/87/64/178098764.db2.gz MUXGIQDTOPXLCO-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cncnc1 ZINC000271004898 538923098 /nfs/dbraw/zinc/92/30/98/538923098.db2.gz MXTRJIAECUIHFK-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cncnc1 ZINC000271004898 538923099 /nfs/dbraw/zinc/92/30/99/538923099.db2.gz MXTRJIAECUIHFK-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1OCCN(c2cc(CO)cc[nH+]2)[C@H]1C ZINC000380379060 398194669 /nfs/dbraw/zinc/19/46/69/398194669.db2.gz MGIBQCYASXJXHJ-VHSXEESVSA-N 1 2 222.288 1.188 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000116261854 178101157 /nfs/dbraw/zinc/10/11/57/178101157.db2.gz HBBFXQIIEGACJC-LLVKDONJSA-N 1 2 233.315 1.888 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(F)c[nH]1 ZINC000334260203 398194789 /nfs/dbraw/zinc/19/47/89/398194789.db2.gz VXROSZAJPPTTFB-VIFPVBQESA-N 1 2 248.261 1.095 20 0 BDADLO Cc1cc(N2CCC[C@H]2C(N)=O)nc(C(C)C)[nH+]1 ZINC000301055936 178115680 /nfs/dbraw/zinc/11/56/80/178115680.db2.gz DUNJOGKOWVFTBX-JTQLQIEISA-N 1 2 248.330 1.363 20 0 BDADLO Cc1cc(N2CCOCCN2)[nH+]c(C2CC2)n1 ZINC000289174489 178116330 /nfs/dbraw/zinc/11/63/30/178116330.db2.gz RIOXTRRGRMSBQR-UHFFFAOYSA-N 1 2 234.303 1.004 20 0 BDADLO Cc1cc(N2CC[C@H](n3cccn3)C2)nc[nH+]1 ZINC000359969390 178119280 /nfs/dbraw/zinc/11/92/80/178119280.db2.gz UUXVCBMGTHGJDQ-NSHDSACASA-N 1 2 229.287 1.433 20 0 BDADLO CCc1cc(N(C)[C@H]2CCN(C)C2=O)nc(C)[nH+]1 ZINC000272932927 538926518 /nfs/dbraw/zinc/92/65/18/538926518.db2.gz VQIJPBIDEWZCPA-NSHDSACASA-N 1 2 248.330 1.014 20 0 BDADLO Cc1cc(N2C[C@H](O)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000350701114 178121876 /nfs/dbraw/zinc/12/18/76/178121876.db2.gz LVVGFYURSKGLHT-GHMZBOCLSA-N 1 2 235.331 1.868 20 0 BDADLO Cc1cc(N2C[C@H](O)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000350701117 178122601 /nfs/dbraw/zinc/12/26/01/178122601.db2.gz LVVGFYURSKGLHT-WDEREUQCSA-N 1 2 235.331 1.868 20 0 BDADLO CC(C)CNC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000162917055 538925498 /nfs/dbraw/zinc/92/54/98/538925498.db2.gz BLSPPAJXRLLMSQ-SECBINFHSA-N 1 2 241.360 1.566 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC23CCC3)n(C)n1 ZINC000330060430 178130771 /nfs/dbraw/zinc/13/07/71/178130771.db2.gz MQYGFDXQKXBHQS-UHFFFAOYSA-N 1 2 248.330 1.295 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC23CCC3)n(C)n1 ZINC000330060430 178130774 /nfs/dbraw/zinc/13/07/74/178130774.db2.gz MQYGFDXQKXBHQS-UHFFFAOYSA-N 1 2 248.330 1.295 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC(C)(C)C2)on1 ZINC000174258957 178131336 /nfs/dbraw/zinc/13/13/36/178131336.db2.gz MMPQIKPJIOSLJG-UHFFFAOYSA-N 1 2 237.303 1.653 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC(C)(C)C2)on1 ZINC000174258957 178131337 /nfs/dbraw/zinc/13/13/37/178131337.db2.gz MMPQIKPJIOSLJG-UHFFFAOYSA-N 1 2 237.303 1.653 20 0 BDADLO Cc1cc(NC(=O)N(C)CC2(CO)CC2)cc[nH+]1 ZINC000188566662 178136475 /nfs/dbraw/zinc/13/64/75/178136475.db2.gz XGXIKKOCWMHONE-UHFFFAOYSA-N 1 2 249.314 1.626 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H]2CO)cc[nH+]1 ZINC000190170716 178137561 /nfs/dbraw/zinc/13/75/61/178137561.db2.gz HJHMJMBJPCLYAY-SKDRFNHKSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@](C)(O)C2)cc[nH+]1 ZINC000119162966 178138004 /nfs/dbraw/zinc/13/80/04/178138004.db2.gz PNVGYDHANRMDMD-CYBMUJFWSA-N 1 2 249.314 1.769 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)CCCO)cc[nH+]1 ZINC000271135868 178142213 /nfs/dbraw/zinc/14/22/13/178142213.db2.gz OLJFAIDSFLQZFE-SECBINFHSA-N 1 2 237.303 1.673 20 0 BDADLO Cc1cc(NCC2([S@](C)=O)CCC2)nc[nH+]1 ZINC000309840991 178156516 /nfs/dbraw/zinc/15/65/16/178156516.db2.gz DCSDELZWGCWXKN-INIZCTEOSA-N 1 2 239.344 1.498 20 0 BDADLO Cc1cc(NCCOCC2CC2)nc[nH+]1 ZINC000225734933 178161215 /nfs/dbraw/zinc/16/12/15/178161215.db2.gz OHUWYXQYWQDALJ-UHFFFAOYSA-N 1 2 207.277 1.624 20 0 BDADLO Cc1cc(NCCSCCCO)nc[nH+]1 ZINC000226388802 178161573 /nfs/dbraw/zinc/16/15/73/178161573.db2.gz FLKVZHJMAUWTSX-UHFFFAOYSA-N 1 2 227.333 1.313 20 0 BDADLO Cc1noc(CCNc2cc(C)[nH+]cn2)n1 ZINC000226026328 178163643 /nfs/dbraw/zinc/16/36/43/178163643.db2.gz UIZVMDJGWSBBCZ-UHFFFAOYSA-N 1 2 219.248 1.131 20 0 BDADLO Cc1cc(NCC[S@@](=O)C(C)(C)C)nc[nH+]1 ZINC000301311204 178163706 /nfs/dbraw/zinc/16/37/06/178163706.db2.gz GCFXRHOWVXTFQS-MRXNPFEDSA-N 1 2 241.360 1.744 20 0 BDADLO Cc1cc(NC[C@@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000301352323 178164420 /nfs/dbraw/zinc/16/44/20/178164420.db2.gz LTTGXIAJYWDZHV-WCBMZHEXSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NC[C@H](C)C[C@H](C)O)nc[nH+]1 ZINC000301352322 178168324 /nfs/dbraw/zinc/16/83/24/178168324.db2.gz LTTGXIAJYWDZHV-SCZZXKLOSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(N[C@@H](C)CO)nc(C2CC2)[nH+]1 ZINC000265353668 178179179 /nfs/dbraw/zinc/17/91/79/178179179.db2.gz KSLNIJDBCGNBFN-QMMMGPOBSA-N 1 2 207.277 1.455 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)nc[nH+]1 ZINC000408241676 178179896 /nfs/dbraw/zinc/17/98/96/178179896.db2.gz ZJHDJSLJASKMNB-GDPRMGEGSA-N 1 2 246.314 1.206 20 0 BDADLO Cc1cc(N[C@@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000301388101 178179922 /nfs/dbraw/zinc/17/99/22/178179922.db2.gz DQZDIXZWUUKMDI-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO Cc1cc(N[C@@H](C)c2nc[nH]n2)nc(C2CC2)[nH+]1 ZINC000182819302 178181100 /nfs/dbraw/zinc/18/11/00/178181100.db2.gz TYGXWSAOVTUGHD-QMMMGPOBSA-N 1 2 244.302 1.954 20 0 BDADLO Cc1cc(N[C@@H](C)c2nnc[nH]2)nc(C2CC2)[nH+]1 ZINC000182819302 178181102 /nfs/dbraw/zinc/18/11/02/178181102.db2.gz TYGXWSAOVTUGHD-QMMMGPOBSA-N 1 2 244.302 1.954 20 0 BDADLO Cc1cc(N[C@H](CO)CC2CCC2)nc[nH+]1 ZINC000309699962 178187043 /nfs/dbraw/zinc/18/70/43/178187043.db2.gz MHYDTCJACWMPGX-NSHDSACASA-N 1 2 221.304 1.748 20 0 BDADLO CCC(CC)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000362091419 168353489 /nfs/dbraw/zinc/35/34/89/168353489.db2.gz UVEBXPIXSGVOLO-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CCC(CC)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000362091419 168353491 /nfs/dbraw/zinc/35/34/91/168353491.db2.gz UVEBXPIXSGVOLO-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CCC(CC)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000362091419 168353493 /nfs/dbraw/zinc/35/34/93/168353493.db2.gz UVEBXPIXSGVOLO-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CCC(CC)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000362091419 168353496 /nfs/dbraw/zinc/35/34/96/168353496.db2.gz UVEBXPIXSGVOLO-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO Cc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]cn1)CC2 ZINC000110509244 178190714 /nfs/dbraw/zinc/19/07/14/178190714.db2.gz AVDWAAGPNJDJHD-JTQLQIEISA-N 1 2 244.302 1.112 20 0 BDADLO Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc[nH+]1 ZINC000301254004 178191707 /nfs/dbraw/zinc/19/17/07/178191707.db2.gz SPMGMYVLWIUQLS-OCCSQVGLSA-N 1 2 241.294 1.855 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCSCC2)n1 ZINC000177918216 178203045 /nfs/dbraw/zinc/20/30/45/178203045.db2.gz DPHDWBQJNRXSJB-SECBINFHSA-N 1 2 239.344 1.600 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276453517 538932708 /nfs/dbraw/zinc/93/27/08/538932708.db2.gz NQSPSMFNYCPVKC-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276453517 538932709 /nfs/dbraw/zinc/93/27/09/538932709.db2.gz NQSPSMFNYCPVKC-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO CN(CC(F)(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000276477273 538932256 /nfs/dbraw/zinc/93/22/56/538932256.db2.gz RKCGMEREQWFPCA-UHFFFAOYSA-N 1 2 235.209 1.363 20 0 BDADLO CN(CC(F)(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000276477273 538932257 /nfs/dbraw/zinc/93/22/57/538932257.db2.gz RKCGMEREQWFPCA-UHFFFAOYSA-N 1 2 235.209 1.363 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276608559 538932736 /nfs/dbraw/zinc/93/27/36/538932736.db2.gz PGWVCCJDNHKECQ-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276608559 538932738 /nfs/dbraw/zinc/93/27/38/538932738.db2.gz PGWVCCJDNHKECQ-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)[C@H](C)CO)nn1C ZINC000421357737 192332643 /nfs/dbraw/zinc/33/26/43/192332643.db2.gz QEQMFJFWBZFKGN-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)[C@H](C)CO)nn1C ZINC000421357737 192332645 /nfs/dbraw/zinc/33/26/45/192332645.db2.gz QEQMFJFWBZFKGN-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2cncs2)C1 ZINC000425508692 398230570 /nfs/dbraw/zinc/23/05/70/398230570.db2.gz HPAYQOPJGKSDHU-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2cncs2)C1 ZINC000425508692 398230572 /nfs/dbraw/zinc/23/05/72/398230572.db2.gz HPAYQOPJGKSDHU-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C[C@@H]([NH2+]Cc1cncs1)c1nccn1C ZINC000164652206 538934191 /nfs/dbraw/zinc/93/41/91/538934191.db2.gz HNAWDNVGMBIKEW-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CCc1nc(C[NH2+][C@H](CO)C(C)(C)C)no1 ZINC000180633193 398231691 /nfs/dbraw/zinc/23/16/91/398231691.db2.gz CPDBWQOXHOTZJM-MRVPVSSYSA-N 1 2 227.308 1.129 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](OC)[C@@H](C)CC ZINC000602439604 349526538 /nfs/dbraw/zinc/52/65/38/349526538.db2.gz GFRLSCLJBIZFBG-WDEREUQCSA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](OC)[C@@H](C)CC ZINC000602439604 349526539 /nfs/dbraw/zinc/52/65/39/349526539.db2.gz GFRLSCLJBIZFBG-WDEREUQCSA-N 1 2 231.336 1.542 20 0 BDADLO CC(C)N(CC(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000279860955 538936689 /nfs/dbraw/zinc/93/66/89/538936689.db2.gz KPFNRYUSEUSYNZ-UHFFFAOYSA-N 1 2 245.273 1.844 20 0 BDADLO CC(C)N(CC(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000279860955 538936691 /nfs/dbraw/zinc/93/66/91/538936691.db2.gz KPFNRYUSEUSYNZ-UHFFFAOYSA-N 1 2 245.273 1.844 20 0 BDADLO Cc1cccc(CCNc2ncccn2)[nH+]1 ZINC000280563226 538937213 /nfs/dbraw/zinc/93/72/13/538937213.db2.gz UWVKZLAWUMWOJJ-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000076344890 398236365 /nfs/dbraw/zinc/23/63/65/398236365.db2.gz GJOVXSCVHQRMTK-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000076344890 398236367 /nfs/dbraw/zinc/23/63/67/398236367.db2.gz GJOVXSCVHQRMTK-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)[nH]n1 ZINC000362217126 178265899 /nfs/dbraw/zinc/26/58/99/178265899.db2.gz FIUGUSUYHIKXTQ-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)[nH]n1 ZINC000362217126 178265900 /nfs/dbraw/zinc/26/59/00/178265900.db2.gz FIUGUSUYHIKXTQ-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n[nH]1 ZINC000362217126 178265901 /nfs/dbraw/zinc/26/59/01/178265901.db2.gz FIUGUSUYHIKXTQ-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n[nH]1 ZINC000362217126 178265902 /nfs/dbraw/zinc/26/59/02/178265902.db2.gz FIUGUSUYHIKXTQ-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)[nH]n1 ZINC000362217126 178265903 /nfs/dbraw/zinc/26/59/03/178265903.db2.gz FIUGUSUYHIKXTQ-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)[nH]n1 ZINC000362217126 178265904 /nfs/dbraw/zinc/26/59/04/178265904.db2.gz FIUGUSUYHIKXTQ-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO C[C@@H]1CCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000281446712 538939153 /nfs/dbraw/zinc/93/91/53/538939153.db2.gz CYZBYUAHHWRXRU-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@@H]1CCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000281446712 538939155 /nfs/dbraw/zinc/93/91/55/538939155.db2.gz CYZBYUAHHWRXRU-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO Cc1cc2c(NCc3[nH+]ccn3C)nccn2n1 ZINC000129430271 178280801 /nfs/dbraw/zinc/28/08/01/178280801.db2.gz CRLPPEBPFNVFJI-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)n1 ZINC000631235614 361819144 /nfs/dbraw/zinc/81/91/44/361819144.db2.gz XZYGYYZHMHIDFD-HTRCEHHLSA-N 1 2 237.225 1.119 20 0 BDADLO Cc1cc2[nH+]cn(CCn3cncn3)c2cc1C ZINC000277857727 178305741 /nfs/dbraw/zinc/30/57/41/178305741.db2.gz ASHFIEHRRZLDQS-UHFFFAOYSA-N 1 2 241.298 1.945 20 0 BDADLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ncc[nH]1 ZINC000286146174 538943089 /nfs/dbraw/zinc/94/30/89/538943089.db2.gz PDJZEPOTDMEPJZ-ZWKOPEQDSA-N 1 2 243.310 1.719 20 0 BDADLO Cc1cc[nH]c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000576658059 365652203 /nfs/dbraw/zinc/65/22/03/365652203.db2.gz WEGXUDCFBKDCAQ-UHFFFAOYSA-N 1 2 230.271 1.217 20 0 BDADLO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000649446664 398251072 /nfs/dbraw/zinc/25/10/72/398251072.db2.gz YHNKPEPKPBFOIY-BXUZGUMPSA-N 1 2 245.326 1.664 20 0 BDADLO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000649446665 398251080 /nfs/dbraw/zinc/25/10/80/398251080.db2.gz YHNKPEPKPBFOIY-FZMZJTMJSA-N 1 2 245.326 1.664 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000287025709 538944323 /nfs/dbraw/zinc/94/43/23/538944323.db2.gz IBZHSRLEASRYSP-JTQLQIEISA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000287025709 538944324 /nfs/dbraw/zinc/94/43/24/538944324.db2.gz IBZHSRLEASRYSP-JTQLQIEISA-N 1 2 221.304 1.647 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC(C)(F)F ZINC000291210855 538947576 /nfs/dbraw/zinc/94/75/76/538947576.db2.gz FUCKFZMRISQGAW-UHFFFAOYSA-N 1 2 217.219 1.082 20 0 BDADLO Cc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)o1 ZINC000357935143 178335968 /nfs/dbraw/zinc/33/59/68/178335968.db2.gz LZIRNZQAVMZAIH-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000291253911 538947598 /nfs/dbraw/zinc/94/75/98/538947598.db2.gz PBDFEYKGGXKUGP-MRVPVSSYSA-N 1 2 207.277 1.082 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2ccnn2C)on1 ZINC000576695844 365659408 /nfs/dbraw/zinc/65/94/08/365659408.db2.gz GOFBYEZBPZHLSF-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1nc(CC)no1 ZINC000382208029 398255773 /nfs/dbraw/zinc/25/57/73/398255773.db2.gz GJVPOQJPADZYJV-UHFFFAOYSA-N 1 2 227.308 1.537 20 0 BDADLO Cc1ccccc1CC(=O)NCc1c[nH+]cn1C ZINC000291450594 538947988 /nfs/dbraw/zinc/94/79/88/538947988.db2.gz NBNJBXTWZTXPBL-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1ccccn1 ZINC000291395367 538947846 /nfs/dbraw/zinc/94/78/46/538947846.db2.gz IFKDFYAEGCZTGJ-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO CC[C@H](NC(=O)c1cc(C)n[nH]1)c1[nH]cc[nH+]1 ZINC000442820601 398269355 /nfs/dbraw/zinc/26/93/55/398269355.db2.gz KTUVVKBATLGONH-QMMMGPOBSA-N 1 2 233.275 1.322 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000129593323 323008850 /nfs/dbraw/zinc/00/88/50/323008850.db2.gz BEIYMUGHYJVFKN-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000019837137 178391664 /nfs/dbraw/zinc/39/16/64/178391664.db2.gz JLONSSNCFXFXMU-UHFFFAOYSA-N 1 2 234.299 1.088 20 0 BDADLO CCC(CC)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338165626 168376116 /nfs/dbraw/zinc/37/61/16/168376116.db2.gz XJPPVDUVRICPHL-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2conc2C)CCO1 ZINC000626176934 346836216 /nfs/dbraw/zinc/83/62/16/346836216.db2.gz AGUQOROJNSAUMN-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2conc2C)CCO1 ZINC000626176934 346836219 /nfs/dbraw/zinc/83/62/19/346836219.db2.gz AGUQOROJNSAUMN-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2conc2C)CCO1 ZINC000626176933 346836403 /nfs/dbraw/zinc/83/64/03/346836403.db2.gz AGUQOROJNSAUMN-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2conc2C)CCO1 ZINC000626176933 346836406 /nfs/dbraw/zinc/83/64/06/346836406.db2.gz AGUQOROJNSAUMN-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cncnc1 ZINC000179563629 538955606 /nfs/dbraw/zinc/95/56/06/538955606.db2.gz CKFOCJCPTMDWJT-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cncnc1 ZINC000179563629 538955608 /nfs/dbraw/zinc/95/56/08/538955608.db2.gz CKFOCJCPTMDWJT-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000180076142 538957252 /nfs/dbraw/zinc/95/72/52/538957252.db2.gz BXRSGWWGTNIFOQ-KCJUWKMLSA-N 1 2 236.319 1.037 20 0 BDADLO CCC(CC)NC(=O)CCc1c[nH+]cn1C ZINC000276466358 168377457 /nfs/dbraw/zinc/37/74/57/168377457.db2.gz CIQCYSOELTVINA-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2cocn2)[nH]c1C ZINC000602555203 349597129 /nfs/dbraw/zinc/59/71/29/349597129.db2.gz PFNKIKXIIPFIGN-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC(=O)CN(Cc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000600135394 342687935 /nfs/dbraw/zinc/68/79/35/342687935.db2.gz WZONMDMVPTYVHV-UHFFFAOYSA-N 1 2 237.303 1.164 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCNC(=O)[C@@H]2C)s1 ZINC000189080711 346857225 /nfs/dbraw/zinc/85/72/25/346857225.db2.gz BDLWQPBODWQWPF-QMMMGPOBSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncc(C[N@H+]2CCCNC(=O)[C@@H]2C)s1 ZINC000189080711 346857229 /nfs/dbraw/zinc/85/72/29/346857229.db2.gz BDLWQPBODWQWPF-QMMMGPOBSA-N 1 2 239.344 1.162 20 0 BDADLO CCCC[C@H](NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000600151339 342691508 /nfs/dbraw/zinc/69/15/08/342691508.db2.gz LRUCMSSYKDTQMD-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2oc(C)nc2C)C1 ZINC000600167243 342694308 /nfs/dbraw/zinc/69/43/08/342694308.db2.gz QTLLEQYZVBLXMH-UHFFFAOYSA-N 1 2 238.287 1.286 20 0 BDADLO O=C(NC1CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047268793 398276567 /nfs/dbraw/zinc/27/65/67/398276567.db2.gz YHPBNKDLWICNGY-UHFFFAOYSA-N 1 2 241.294 1.824 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccn[nH]1 ZINC000167436916 361866040 /nfs/dbraw/zinc/86/60/40/361866040.db2.gz KKRILAAZEYHQIE-LURJTMIESA-N 1 2 207.199 1.840 20 0 BDADLO CCC(CC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366723319 168384440 /nfs/dbraw/zinc/38/44/40/168384440.db2.gz ZIOIZENIYXGBGW-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c(C)c1 ZINC000634583441 342801616 /nfs/dbraw/zinc/80/16/16/342801616.db2.gz WKAKHCSOMQOYHY-NSHDSACASA-N 1 2 243.310 1.616 20 0 BDADLO CCOCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000607735290 342784817 /nfs/dbraw/zinc/78/48/17/342784817.db2.gz BUMUKGZPLWNVBF-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CCOCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000607735290 342784818 /nfs/dbraw/zinc/78/48/18/342784818.db2.gz BUMUKGZPLWNVBF-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cnc(C2CC2)s1 ZINC000530505664 342787843 /nfs/dbraw/zinc/78/78/43/342787843.db2.gz LYYZWRPQJMDQGQ-UHFFFAOYSA-N 1 2 239.344 1.328 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cnc(C2CC2)s1 ZINC000530505664 342787845 /nfs/dbraw/zinc/78/78/45/342787845.db2.gz LYYZWRPQJMDQGQ-UHFFFAOYSA-N 1 2 239.344 1.328 20 0 BDADLO Cc1ccc(-c2n[nH]cc2C[NH+]2CC(C)(O)C2)o1 ZINC000639254200 398285892 /nfs/dbraw/zinc/28/58/92/398285892.db2.gz NPVWFBPGNNRTEN-UHFFFAOYSA-N 1 2 247.298 1.545 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000634582596 342798107 /nfs/dbraw/zinc/79/81/07/342798107.db2.gz WVOBMESNNDLAAK-PSASIEDQSA-N 1 2 247.302 1.760 20 0 BDADLO C/C=C\CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000624655101 342809469 /nfs/dbraw/zinc/80/94/69/342809469.db2.gz JIBWDRMHPKWWTO-IHWYPQMZSA-N 1 2 234.303 1.301 20 0 BDADLO C/C=C\CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000624655101 342809470 /nfs/dbraw/zinc/80/94/70/342809470.db2.gz JIBWDRMHPKWWTO-IHWYPQMZSA-N 1 2 234.303 1.301 20 0 BDADLO Cn1cc(C[NH2+]C(C)(C)C(F)F)cn1 ZINC000379574779 538978589 /nfs/dbraw/zinc/97/85/89/538978589.db2.gz KXSZPTNJXQFPJG-UHFFFAOYSA-N 1 2 203.236 1.553 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CCCC12CC2 ZINC000624758217 342825870 /nfs/dbraw/zinc/82/58/70/342825870.db2.gz LRJFFTUDDJDGDN-SECBINFHSA-N 1 2 248.330 1.482 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CCCC12CC2 ZINC000624758217 342825872 /nfs/dbraw/zinc/82/58/72/342825872.db2.gz LRJFFTUDDJDGDN-SECBINFHSA-N 1 2 248.330 1.482 20 0 BDADLO CC1(C)CCCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000380333493 538989021 /nfs/dbraw/zinc/98/90/21/538989021.db2.gz PCWJYHRHRLVHGU-JTQLQIEISA-N 1 2 208.309 1.863 20 0 BDADLO CC1(C)CCCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000380333493 538989023 /nfs/dbraw/zinc/98/90/23/538989023.db2.gz PCWJYHRHRLVHGU-JTQLQIEISA-N 1 2 208.309 1.863 20 0 BDADLO C/C=C\CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000624824220 342832738 /nfs/dbraw/zinc/83/27/38/342832738.db2.gz YTDOVCFSMWJFBF-IHWYPQMZSA-N 1 2 248.330 1.875 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000624010237 346865252 /nfs/dbraw/zinc/86/52/52/346865252.db2.gz KUVLCGHMBJXZPS-AOOOYVTPSA-N 1 2 220.272 1.458 20 0 BDADLO CC[C@]1(O)CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000381540823 539003390 /nfs/dbraw/zinc/00/33/90/539003390.db2.gz INBAPIMXYWKNHS-JTQLQIEISA-N 1 2 242.710 1.063 20 0 BDADLO CC[C@]1(O)CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000381540823 539003391 /nfs/dbraw/zinc/00/33/91/539003391.db2.gz INBAPIMXYWKNHS-JTQLQIEISA-N 1 2 242.710 1.063 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cn(C)nn2)s1 ZINC000381770236 539007215 /nfs/dbraw/zinc/00/72/15/539007215.db2.gz WCRRVHNZXCFHFO-UHFFFAOYSA-N 1 2 237.332 1.124 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Nc1cc[nH]n1 ZINC000192288822 538994762 /nfs/dbraw/zinc/99/47/62/538994762.db2.gz DBTARRXSVLLOTR-UHFFFAOYSA-N 1 2 217.232 1.757 20 0 BDADLO Cc1cnc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000381259162 538997439 /nfs/dbraw/zinc/99/74/39/538997439.db2.gz RMUGWMJJKCQALK-ZJUUUORDSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1cnc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000381259162 538997440 /nfs/dbraw/zinc/99/74/40/538997440.db2.gz RMUGWMJJKCQALK-ZJUUUORDSA-N 1 2 241.360 1.583 20 0 BDADLO C[C@@H](CCO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000381416461 539000412 /nfs/dbraw/zinc/00/04/12/539000412.db2.gz WGLIBNGLQRIQMY-VIFPVBQESA-N 1 2 223.320 1.379 20 0 BDADLO Cc1nc(N[C@@H](C)C[C@H]2CCOC2)cc[nH+]1 ZINC000390181796 539020599 /nfs/dbraw/zinc/02/05/99/539020599.db2.gz JZBNPSMEWCLSKJ-GXSJLCMTSA-N 1 2 221.304 1.434 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335741423 398296993 /nfs/dbraw/zinc/29/69/93/398296993.db2.gz HYOLGJGHZWCNJF-ZETCQYMHSA-N 1 2 248.311 1.925 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@H]2C(F)F)n1C ZINC000348849451 136241974 /nfs/dbraw/zinc/24/19/74/136241974.db2.gz QPXJHBPWJWTHCY-VIFPVBQESA-N 1 2 229.274 1.958 20 0 BDADLO O[C@H]1CCCC[C@@H]1c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755134 361993228 /nfs/dbraw/zinc/99/32/28/361993228.db2.gz TUXJPTYAWAZBQZ-KOLCDFICSA-N 1 2 247.302 1.068 20 0 BDADLO CCCCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000640752289 361994427 /nfs/dbraw/zinc/99/44/27/361994427.db2.gz HQWALMGDVYVVSD-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CCCCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000640752289 361994431 /nfs/dbraw/zinc/99/44/31/361994431.db2.gz HQWALMGDVYVVSD-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CC2(C)C)cc[nH+]1 ZINC000348842730 136242274 /nfs/dbraw/zinc/24/22/74/136242274.db2.gz AOTOWBXBCRTZCI-SNVBAGLBSA-N 1 2 233.315 1.980 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)C[C@H]1F ZINC000335637202 136242889 /nfs/dbraw/zinc/24/28/89/136242889.db2.gz XIPWANWIVYVZJL-LDYMZIIASA-N 1 2 225.267 1.127 20 0 BDADLO CC(C)Cn1nccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000648008960 398299880 /nfs/dbraw/zinc/29/98/80/398299880.db2.gz IFPRUIZHFLLZML-OKILXGFUSA-N 1 2 249.358 1.902 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000648008960 398299882 /nfs/dbraw/zinc/29/98/82/398299882.db2.gz IFPRUIZHFLLZML-OKILXGFUSA-N 1 2 249.358 1.902 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCSCCCO ZINC000134559649 342866180 /nfs/dbraw/zinc/86/61/80/342866180.db2.gz DVCBSGXVXATGEZ-VIFPVBQESA-N 1 2 243.376 1.484 20 0 BDADLO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134568977 342868908 /nfs/dbraw/zinc/86/89/08/342868908.db2.gz OLGLXOFTJQSZGG-BCMRRPTOSA-N 1 2 243.376 1.481 20 0 BDADLO CCCCc1cc(NCC2=CCOCC2)nc[nH+]1 ZINC000631289455 342877774 /nfs/dbraw/zinc/87/77/74/342877774.db2.gz GENCDOJFLOWUSC-UHFFFAOYSA-N 1 2 247.342 2.000 20 0 BDADLO C[C@@H](O)C1CC[NH+](Cc2ncccn2)CC1 ZINC000192019853 398310350 /nfs/dbraw/zinc/31/03/50/398310350.db2.gz OYSMBWRYJAMEMK-SNVBAGLBSA-N 1 2 221.304 1.069 20 0 BDADLO C[N@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)CO ZINC000134836726 342897165 /nfs/dbraw/zinc/89/71/65/342897165.db2.gz GJLOIPGZXYAOLH-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)CO ZINC000134836726 342897167 /nfs/dbraw/zinc/89/71/67/342897167.db2.gz GJLOIPGZXYAOLH-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@@H]1CCC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631291622 342897449 /nfs/dbraw/zinc/89/74/49/342897449.db2.gz UXRNKFYHLUJHOD-ZJUUUORDSA-N 1 2 235.335 1.253 20 0 BDADLO CC[C@@H]1CCC[C@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631291622 342897450 /nfs/dbraw/zinc/89/74/50/342897450.db2.gz UXRNKFYHLUJHOD-ZJUUUORDSA-N 1 2 235.335 1.253 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000167295640 136245059 /nfs/dbraw/zinc/24/50/59/136245059.db2.gz MUFGZDMQTKODCF-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000167295640 136245060 /nfs/dbraw/zinc/24/50/60/136245060.db2.gz MUFGZDMQTKODCF-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO CCC1(O)CC[NH+](Cc2cnns2)CC1 ZINC000625190901 342906050 /nfs/dbraw/zinc/90/60/50/342906050.db2.gz QVOINZSVRURQQB-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOCC(C)C ZINC000233673538 342911755 /nfs/dbraw/zinc/91/17/55/342911755.db2.gz FIWDJTQDNJRRRZ-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOCC(C)C ZINC000233673538 342911756 /nfs/dbraw/zinc/91/17/56/342911756.db2.gz FIWDJTQDNJRRRZ-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO CCC1(O)CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000351513651 136246703 /nfs/dbraw/zinc/24/67/03/136246703.db2.gz LPWRCLGHFZBKNT-SECBINFHSA-N 1 2 239.319 1.676 20 0 BDADLO COCCc1nc(C[NH+](C(C)C)C(C)C)no1 ZINC000351571797 136246962 /nfs/dbraw/zinc/24/69/62/136246962.db2.gz AWHBQOVPXVELAY-UHFFFAOYSA-N 1 2 241.335 1.877 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000045784527 342923247 /nfs/dbraw/zinc/92/32/47/342923247.db2.gz WDERLJMDXACQFV-IUCAKERBSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000045784527 342923248 /nfs/dbraw/zinc/92/32/48/342923248.db2.gz WDERLJMDXACQFV-IUCAKERBSA-N 1 2 224.304 1.901 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC1=CCCC1 ZINC000189343515 346871561 /nfs/dbraw/zinc/87/15/61/346871561.db2.gz ZQRUMXZWIZXKDO-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC1=CCCC1 ZINC000189343515 346871563 /nfs/dbraw/zinc/87/15/63/346871563.db2.gz ZQRUMXZWIZXKDO-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO Cc1nc(CN(C)c2nc(C)[nH+]c(C)c2C)no1 ZINC000302131196 398325098 /nfs/dbraw/zinc/32/50/98/398325098.db2.gz BXZUWRRZCJBVQB-UHFFFAOYSA-N 1 2 247.302 1.730 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348190097 536638599 /nfs/dbraw/zinc/63/85/99/536638599.db2.gz YFOKWEGATOZGDB-RNJXMRFFSA-N 1 2 237.246 1.298 20 0 BDADLO CC[C@H]1CCCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000383826394 342931009 /nfs/dbraw/zinc/93/10/09/342931009.db2.gz RUBDFCCCLKSSHA-VHSXEESVSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@H]1CCCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000383826394 342931011 /nfs/dbraw/zinc/93/10/11/342931011.db2.gz RUBDFCCCLKSSHA-VHSXEESVSA-N 1 2 235.335 1.973 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000250913377 536637547 /nfs/dbraw/zinc/63/75/47/536637547.db2.gz WFDFENGQCWUWEQ-UKKRHICBSA-N 1 2 241.331 1.341 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CC[C@H]2CCCO2)no1 ZINC000351627557 136248982 /nfs/dbraw/zinc/24/89/82/136248982.db2.gz GSMAOAXZRCSOQM-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CC[C@H]2CCCO2)no1 ZINC000351627557 136248983 /nfs/dbraw/zinc/24/89/83/136248983.db2.gz GSMAOAXZRCSOQM-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)[C@@H](C)[C@H](C)O1 ZINC000351652123 136249091 /nfs/dbraw/zinc/24/90/91/136249091.db2.gz RQNYSMUXGCVEHA-UTLUCORTSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)[C@@H](C)[C@H](C)O1 ZINC000351652123 136249092 /nfs/dbraw/zinc/24/90/92/136249092.db2.gz RQNYSMUXGCVEHA-UTLUCORTSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@]1(CNc2nc[nH+]c(N)c2Cl)CCCO1 ZINC000235388815 398337180 /nfs/dbraw/zinc/33/71/80/398337180.db2.gz RRNCAZHJZNPCPO-JTQLQIEISA-N 1 2 242.710 1.693 20 0 BDADLO C[C@@]1(CNc2[nH+]cnc(N)c2Cl)CCCO1 ZINC000235388815 398337181 /nfs/dbraw/zinc/33/71/81/398337181.db2.gz RRNCAZHJZNPCPO-JTQLQIEISA-N 1 2 242.710 1.693 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnc3ccccn23)C[C@@H](C)O1 ZINC000157310653 344013134 /nfs/dbraw/zinc/01/31/34/344013134.db2.gz NRQVPUKNJFTFGC-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO CC(C)(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000560481827 398333834 /nfs/dbraw/zinc/33/38/34/398333834.db2.gz DHIXMOQABFGVNL-UHFFFAOYSA-N 1 2 221.304 1.388 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000602682865 349675410 /nfs/dbraw/zinc/67/54/10/349675410.db2.gz SOORZIQHEXNPHI-HRDYMLBCSA-N 1 2 235.274 1.960 20 0 BDADLO CCc1cnc(C[N@H+](C)CCn2cccn2)o1 ZINC000075722011 344016267 /nfs/dbraw/zinc/01/62/67/344016267.db2.gz DIGFLSGXDKCUMS-UHFFFAOYSA-N 1 2 234.303 1.566 20 0 BDADLO CCc1cnc(C[N@@H+](C)CCn2cccn2)o1 ZINC000075722011 344016270 /nfs/dbraw/zinc/01/62/70/344016270.db2.gz DIGFLSGXDKCUMS-UHFFFAOYSA-N 1 2 234.303 1.566 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000602694567 349691622 /nfs/dbraw/zinc/69/16/22/349691622.db2.gz IYNGQRFLSBJJTG-USWWRNFRSA-N 1 2 241.331 1.485 20 0 BDADLO COC1CC([N@H+](C)Cc2nnc(C(C)C)o2)C1 ZINC000352221639 536719290 /nfs/dbraw/zinc/71/92/90/536719290.db2.gz NATRFSBSLSJFNK-UHFFFAOYSA-N 1 2 239.319 1.802 20 0 BDADLO COC1CC([N@@H+](C)Cc2nnc(C(C)C)o2)C1 ZINC000352221639 536719294 /nfs/dbraw/zinc/71/92/94/536719294.db2.gz NATRFSBSLSJFNK-UHFFFAOYSA-N 1 2 239.319 1.802 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC1CCC1 ZINC000493648355 529558533 /nfs/dbraw/zinc/55/85/33/529558533.db2.gz AVAMCZBIPIULGP-SREVYHEPSA-N 1 2 219.288 1.585 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)C1CC1 ZINC000492967135 529560145 /nfs/dbraw/zinc/56/01/45/529560145.db2.gz XRAISOXOOFNZEW-JYESYGNLSA-N 1 2 233.315 1.831 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCO[C@H]1C ZINC000335901287 136259270 /nfs/dbraw/zinc/25/92/70/136259270.db2.gz QJWKRBZSGYZNAB-GXSJLCMTSA-N 1 2 234.299 1.429 20 0 BDADLO C[C@@H]1CCC[C@@H](n2[nH]c3c(c2=O)C[NH2+]CC3)C1 ZINC000634599546 342988762 /nfs/dbraw/zinc/98/87/62/342988762.db2.gz KYTOGGRZBIZPSM-GMTAPVOTSA-N 1 2 235.331 1.373 20 0 BDADLO CC[C@H](NC(=O)c1nccn1CC)c1[nH]cc[nH+]1 ZINC000487196963 529581271 /nfs/dbraw/zinc/58/12/71/529581271.db2.gz SJMYGCWIUGMQBJ-VIFPVBQESA-N 1 2 247.302 1.507 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CCN(C#N)CC ZINC000602762072 349733160 /nfs/dbraw/zinc/73/31/60/349733160.db2.gz GPRRAHIUHRZFAN-NEPJUHHUSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CCN(C#N)CC ZINC000602762072 349733163 /nfs/dbraw/zinc/73/31/63/349733163.db2.gz GPRRAHIUHRZFAN-NEPJUHHUSA-N 1 2 225.336 1.289 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000562738307 323029502 /nfs/dbraw/zinc/02/95/02/323029502.db2.gz HZJFTLIRWAMMNM-OYNCUSHFSA-N 1 2 228.317 1.208 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000602828539 349766159 /nfs/dbraw/zinc/76/61/59/349766159.db2.gz HACJEJFWQCZSDL-CYBMUJFWSA-N 1 2 247.346 1.740 20 0 BDADLO CCN(C#N)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000602828539 349766161 /nfs/dbraw/zinc/76/61/61/349766161.db2.gz HACJEJFWQCZSDL-CYBMUJFWSA-N 1 2 247.346 1.740 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CCSC2)n1C ZINC000162667869 349773287 /nfs/dbraw/zinc/77/32/87/349773287.db2.gz QLLVOQPUVFBCJP-VIFPVBQESA-N 1 2 226.349 1.061 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CCSC2)n1C ZINC000162667869 349773288 /nfs/dbraw/zinc/77/32/88/349773288.db2.gz QLLVOQPUVFBCJP-VIFPVBQESA-N 1 2 226.349 1.061 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000602841816 349780078 /nfs/dbraw/zinc/78/00/78/349780078.db2.gz VHFHZPCUQMBBGZ-ZDUSSCGKSA-N 1 2 237.347 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000602841816 349780080 /nfs/dbraw/zinc/78/00/80/349780080.db2.gz VHFHZPCUQMBBGZ-ZDUSSCGKSA-N 1 2 237.347 1.290 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)CC1 ZINC000634633388 343044862 /nfs/dbraw/zinc/04/48/62/343044862.db2.gz UMIIHLQDQJOQSG-UHFFFAOYSA-N 1 2 220.276 1.272 20 0 BDADLO C[C@@H]1CCC2=NN(CCCn3cc[nH+]c3)C(=O)[C@H]21 ZINC000634633679 343046130 /nfs/dbraw/zinc/04/61/30/343046130.db2.gz CSLVIOFZWDSLBB-PWSUYJOCSA-N 1 2 246.314 1.518 20 0 BDADLO O=C1C[C@@H]2CCCC2=NN1CCCn1cc[nH+]c1 ZINC000634633608 343046369 /nfs/dbraw/zinc/04/63/69/343046369.db2.gz BOFZVDWOXFTBBX-NSHDSACASA-N 1 2 246.314 1.662 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880004 349791321 /nfs/dbraw/zinc/79/13/21/349791321.db2.gz IZEHGWWLNNBHQO-JTQLQIEISA-N 1 2 223.276 1.110 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880004 349791322 /nfs/dbraw/zinc/79/13/22/349791322.db2.gz IZEHGWWLNNBHQO-JTQLQIEISA-N 1 2 223.276 1.110 20 0 BDADLO CCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000301187985 136264969 /nfs/dbraw/zinc/26/49/69/136264969.db2.gz FTJGGYSFQNELJD-UHFFFAOYSA-N 1 2 233.315 1.530 20 0 BDADLO Cc1csc(C[NH2+]CC(=O)NC(C)C)n1 ZINC000038091612 343062444 /nfs/dbraw/zinc/06/24/44/343062444.db2.gz SMGAMWXLKOATKM-UHFFFAOYSA-N 1 2 227.333 1.066 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000359929275 136267874 /nfs/dbraw/zinc/26/78/74/136267874.db2.gz GHYJEBUITVHUSC-ONGXEEELSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000359929275 136267875 /nfs/dbraw/zinc/26/78/75/136267875.db2.gz GHYJEBUITVHUSC-ONGXEEELSA-N 1 2 249.362 1.516 20 0 BDADLO CC[C@@H]([NH2+]CCCSC)C(=O)OC ZINC000168358850 136267943 /nfs/dbraw/zinc/26/79/43/136267943.db2.gz XELUHEFOUANFHD-MRVPVSSYSA-N 1 2 205.323 1.281 20 0 BDADLO CC[C@H](O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492890967 529686856 /nfs/dbraw/zinc/68/68/56/529686856.db2.gz CNVSLYDGNDLWSB-GZTOBOFZSA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@H](C)n1cc(C[N@H+](C)CCOC)nn1 ZINC000640938365 362082181 /nfs/dbraw/zinc/08/21/81/362082181.db2.gz HQFZWXCZEBLTFZ-JTQLQIEISA-N 1 2 226.324 1.327 20 0 BDADLO CC[C@H](C)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000640938365 362082182 /nfs/dbraw/zinc/08/21/82/362082182.db2.gz HQFZWXCZEBLTFZ-JTQLQIEISA-N 1 2 226.324 1.327 20 0 BDADLO CC(C)(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000028697352 343131098 /nfs/dbraw/zinc/13/10/98/343131098.db2.gz RDOWVBLJJGGXOE-UHFFFAOYSA-N 1 2 231.299 1.997 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC(C)(C)C ZINC000130167863 343180284 /nfs/dbraw/zinc/18/02/84/343180284.db2.gz GDZAJTWXSQQKKZ-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC(C)(C)C ZINC000130167863 343180287 /nfs/dbraw/zinc/18/02/87/343180287.db2.gz GDZAJTWXSQQKKZ-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO COCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580512 192356951 /nfs/dbraw/zinc/35/69/51/192356951.db2.gz WPUYJYXKZJIQIW-UHFFFAOYSA-N 1 2 236.315 1.741 20 0 BDADLO C[C@@H](NC(=O)c1ccncc1)c1[nH]cc[nH+]1 ZINC000125356811 343173104 /nfs/dbraw/zinc/17/31/04/343173104.db2.gz OQGKGOFSWZRXFK-MRVPVSSYSA-N 1 2 216.244 1.296 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCCC1 ZINC000134808968 343195708 /nfs/dbraw/zinc/19/57/08/343195708.db2.gz KKPVFCXDCHHJMM-UHFFFAOYSA-N 1 2 208.265 1.058 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCCC1 ZINC000134808968 343195710 /nfs/dbraw/zinc/19/57/10/343195710.db2.gz KKPVFCXDCHHJMM-UHFFFAOYSA-N 1 2 208.265 1.058 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000030773336 343198328 /nfs/dbraw/zinc/19/83/28/343198328.db2.gz VVWJHXCILTZMSX-ZETCQYMHSA-N 1 2 217.276 1.574 20 0 BDADLO O=C(CCC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427989127 259356970 /nfs/dbraw/zinc/35/69/70/259356970.db2.gz AJEQWWKISNXALS-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H]1CCCC[C@@H]1O ZINC000163116337 343206350 /nfs/dbraw/zinc/20/63/50/343206350.db2.gz YYHVKAVESNBAKV-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H]1CCCC[C@@H]1O ZINC000163116337 343206352 /nfs/dbraw/zinc/20/63/52/343206352.db2.gz YYHVKAVESNBAKV-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000336122999 136276310 /nfs/dbraw/zinc/27/63/10/136276310.db2.gz ZKORMMACJYCPDS-ONGXEEELSA-N 1 2 236.315 1.897 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000336122999 136276311 /nfs/dbraw/zinc/27/63/11/136276311.db2.gz ZKORMMACJYCPDS-ONGXEEELSA-N 1 2 236.315 1.897 20 0 BDADLO COc1c(N)[nH+]cnc1NCCc1ccco1 ZINC000134846526 343190995 /nfs/dbraw/zinc/19/09/95/343190995.db2.gz SNYYUMDXJCKBRY-UHFFFAOYSA-N 1 2 234.259 1.315 20 0 BDADLO COc1c(N)nc[nH+]c1NCCc1ccco1 ZINC000134846526 343190998 /nfs/dbraw/zinc/19/09/98/343190998.db2.gz SNYYUMDXJCKBRY-UHFFFAOYSA-N 1 2 234.259 1.315 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H](C)CC1 ZINC000134891483 343191787 /nfs/dbraw/zinc/19/17/87/343191787.db2.gz ZDBUZZPAZAYYEX-VIFPVBQESA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H](C)CC1 ZINC000134891483 343191789 /nfs/dbraw/zinc/19/17/89/343191789.db2.gz ZDBUZZPAZAYYEX-VIFPVBQESA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)[C@@H](C)C1 ZINC000134917207 343191923 /nfs/dbraw/zinc/19/19/23/343191923.db2.gz IKYGNHVIRPCNJP-YUMQZZPRSA-N 1 2 222.292 1.160 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)[C@@H](C)C1 ZINC000134917207 343191924 /nfs/dbraw/zinc/19/19/24/343191924.db2.gz IKYGNHVIRPCNJP-YUMQZZPRSA-N 1 2 222.292 1.160 20 0 BDADLO COc1c(N)[nH+]cnc1NC1CCCCC1 ZINC000134810974 343195500 /nfs/dbraw/zinc/19/55/00/343195500.db2.gz PUEMVJRVFUXBFX-UHFFFAOYSA-N 1 2 222.292 1.812 20 0 BDADLO COc1c(N)nc[nH+]c1NC1CCCCC1 ZINC000134810974 343195502 /nfs/dbraw/zinc/19/55/02/343195502.db2.gz PUEMVJRVFUXBFX-UHFFFAOYSA-N 1 2 222.292 1.812 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1noc(C)n1)C1CC1 ZINC000625302048 343227420 /nfs/dbraw/zinc/22/74/20/343227420.db2.gz CGSFWRAWDOTZSM-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1noc(C)n1)C1CC1 ZINC000625302048 343227421 /nfs/dbraw/zinc/22/74/21/343227421.db2.gz CGSFWRAWDOTZSM-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO COCC1=CC[N@H+](Cc2cnns2)CC1 ZINC000625333417 343237113 /nfs/dbraw/zinc/23/71/13/343237113.db2.gz BKKCIYFSDGJPDH-UHFFFAOYSA-N 1 2 225.317 1.317 20 0 BDADLO COCC1=CC[N@@H+](Cc2cnns2)CC1 ZINC000625333417 343237114 /nfs/dbraw/zinc/23/71/14/343237114.db2.gz BKKCIYFSDGJPDH-UHFFFAOYSA-N 1 2 225.317 1.317 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000046774978 343259788 /nfs/dbraw/zinc/25/97/88/343259788.db2.gz KYSDXHTUWLHZLM-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCOC[C@H]1C ZINC000046774978 343259792 /nfs/dbraw/zinc/25/97/92/343259792.db2.gz KYSDXHTUWLHZLM-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO FCCCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641048390 362159214 /nfs/dbraw/zinc/15/92/14/362159214.db2.gz JSEFLCRZECVFEO-NSHDSACASA-N 1 2 242.298 1.079 20 0 BDADLO CC(C)c1nc(NCCC[C@H](C)CO)cc[nH+]1 ZINC000340083672 136286004 /nfs/dbraw/zinc/28/60/04/136286004.db2.gz WQWPFDGAWQLRTK-NSHDSACASA-N 1 2 237.347 1.842 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(N)=O ZINC000035793634 343304385 /nfs/dbraw/zinc/30/43/85/343304385.db2.gz VCQKBAZSEDUCEJ-NKWVEPMBSA-N 1 2 228.242 1.489 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(F)C1 ZINC000584062133 343309389 /nfs/dbraw/zinc/30/93/89/343309389.db2.gz FJVBHQPHOKLELS-JOYOIKCWSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(F)C1 ZINC000584062133 343309390 /nfs/dbraw/zinc/30/93/90/343309390.db2.gz FJVBHQPHOKLELS-JOYOIKCWSA-N 1 2 239.294 1.549 20 0 BDADLO CCC(C)(C)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053893 362163760 /nfs/dbraw/zinc/16/37/60/362163760.db2.gz PWWCCHMETOTTJZ-UHFFFAOYSA-N 1 2 233.319 1.748 20 0 BDADLO CCOc1cc(C[NH2+]Cc2cnn[nH]2)ccc1O ZINC000398312373 343365180 /nfs/dbraw/zinc/36/51/80/343365180.db2.gz UFSLRFIRPBYBEL-UHFFFAOYSA-N 1 2 248.286 1.199 20 0 BDADLO CC/C=C/CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641066376 362175274 /nfs/dbraw/zinc/17/52/74/362175274.db2.gz ZWBFVOYUVOSTEA-ONEGZZNKSA-N 1 2 231.303 1.879 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccoc1 ZINC000070650729 343337796 /nfs/dbraw/zinc/33/77/96/343337796.db2.gz RNSUJCGAKQUNAR-UHFFFAOYSA-N 1 2 205.217 1.275 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037303181 343342962 /nfs/dbraw/zinc/34/29/62/343342962.db2.gz NLOCKDYGNMGQHI-GXFFZTMASA-N 1 2 233.311 1.695 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc(C2(F)COC2)nn1 ZINC000641070636 362179601 /nfs/dbraw/zinc/17/96/01/362179601.db2.gz INQNFCIQELTMSF-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000335657370 136306866 /nfs/dbraw/zinc/30/68/66/136306866.db2.gz ZUZGXQDCSWRTJG-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000335657370 136306867 /nfs/dbraw/zinc/30/68/67/136306867.db2.gz ZUZGXQDCSWRTJG-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000335640189 136308362 /nfs/dbraw/zinc/30/83/62/136308362.db2.gz RYBAMUBLZROFAE-JTQLQIEISA-N 1 2 227.283 1.279 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCCO[C@@H](CF)C1 ZINC000335640189 136308363 /nfs/dbraw/zinc/30/83/63/136308363.db2.gz RYBAMUBLZROFAE-JTQLQIEISA-N 1 2 227.283 1.279 20 0 BDADLO CC1(C)CC[C@@H](CO)[N@H+](CC(F)F)C1 ZINC000621379232 343392694 /nfs/dbraw/zinc/39/26/94/343392694.db2.gz PFFROKIRKFWUJN-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CC1(C)CC[C@@H](CO)[N@@H+](CC(F)F)C1 ZINC000621379232 343392695 /nfs/dbraw/zinc/39/26/95/343392695.db2.gz PFFROKIRKFWUJN-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nn1 ZINC000335689385 136324306 /nfs/dbraw/zinc/32/43/06/136324306.db2.gz OSTYQWBYWGRNQQ-VXNVDRBHSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cn(C)nn1 ZINC000335689385 136324307 /nfs/dbraw/zinc/32/43/07/136324307.db2.gz OSTYQWBYWGRNQQ-VXNVDRBHSA-N 1 2 248.252 1.588 20 0 BDADLO COC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609251583 343395654 /nfs/dbraw/zinc/39/56/54/343395654.db2.gz MSHZKZYHMMNHNR-CYBMUJFWSA-N 1 2 249.310 1.623 20 0 BDADLO COC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609251583 343395655 /nfs/dbraw/zinc/39/56/55/343395655.db2.gz MSHZKZYHMMNHNR-CYBMUJFWSA-N 1 2 249.310 1.623 20 0 BDADLO CC1(C)COC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000580036729 343398384 /nfs/dbraw/zinc/39/83/84/343398384.db2.gz DKEAKRDXEDKAIX-VIFPVBQESA-N 1 2 237.303 1.462 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(C)n2)[C@H](C)C1=O ZINC000335695779 136327048 /nfs/dbraw/zinc/32/70/48/136327048.db2.gz NBTRXZHGMRYHKN-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(C)n2)[C@H](C)C1=O ZINC000335695779 136327049 /nfs/dbraw/zinc/32/70/49/136327049.db2.gz NBTRXZHGMRYHKN-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@@H](O)C1 ZINC000335697850 136327402 /nfs/dbraw/zinc/32/74/02/136327402.db2.gz JKJRYSKAZBKQKD-SNVBAGLBSA-N 1 2 249.289 1.674 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CO)[nH+]1 ZINC000080945950 343414903 /nfs/dbraw/zinc/41/49/03/343414903.db2.gz PNBFPKJHDJWLRD-LURJTMIESA-N 1 2 206.249 1.059 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)nn1 ZINC000349403490 136344900 /nfs/dbraw/zinc/34/49/00/136344900.db2.gz BVSHFLPBYSZNBV-JQWIXIFHSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)nn1 ZINC000349403490 136344901 /nfs/dbraw/zinc/34/49/01/136344901.db2.gz BVSHFLPBYSZNBV-JQWIXIFHSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000349417619 136345113 /nfs/dbraw/zinc/34/51/13/136345113.db2.gz MDZOEBRYUQIOSA-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000349417619 136345114 /nfs/dbraw/zinc/34/51/14/136345114.db2.gz MDZOEBRYUQIOSA-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349193598 136330853 /nfs/dbraw/zinc/33/08/53/136330853.db2.gz BDVJCRIGUZBDIJ-VHSXEESVSA-N 1 2 239.319 1.630 20 0 BDADLO Cc1cc(Cn2cc(CC[C@H](C)O)nn2)cc[nH+]1 ZINC000641089498 362213963 /nfs/dbraw/zinc/21/39/63/362213963.db2.gz PLZGCAQLGGCDAI-NSHDSACASA-N 1 2 246.314 1.343 20 0 BDADLO CC(C)=CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367084886 136333014 /nfs/dbraw/zinc/33/30/14/136333014.db2.gz OFCSEPVPMHKUHU-CYBMUJFWSA-N 1 2 245.326 1.521 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccon1 ZINC000349250219 136333274 /nfs/dbraw/zinc/33/32/74/136333274.db2.gz YOGQNSVKKULZML-SECBINFHSA-N 1 2 245.282 1.624 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@]1(C)CCOC1 ZINC000335704352 136335252 /nfs/dbraw/zinc/33/52/52/136335252.db2.gz ZQLRMQLVIOUYBE-ZDUSSCGKSA-N 1 2 249.314 1.360 20 0 BDADLO c1cn2c([nH+]1)CN(C[C@@H]1CCCCO1)CC2 ZINC000335704260 136335486 /nfs/dbraw/zinc/33/54/86/136335486.db2.gz XVCKJTLMUXZMON-NSHDSACASA-N 1 2 221.304 1.268 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1CCC1CCC1 ZINC000641092276 362218578 /nfs/dbraw/zinc/21/85/78/362218578.db2.gz ISFVCHMCIABIJR-LBPRGKRZSA-N 1 2 236.319 1.129 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000379930354 365742605 /nfs/dbraw/zinc/74/26/05/365742605.db2.gz OCGBZDSBZBJJIB-JTQLQIEISA-N 1 2 211.305 1.860 20 0 BDADLO Cc1c[nH]cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000335713000 136338413 /nfs/dbraw/zinc/33/84/13/136338413.db2.gz SNAWDIWZUBRSLS-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000042303766 343433900 /nfs/dbraw/zinc/43/39/00/343433900.db2.gz CIQLLZVSKBIIRC-GHMZBOCLSA-N 1 2 221.300 1.941 20 0 BDADLO CC(C)C[C@@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641095670 362220879 /nfs/dbraw/zinc/22/08/79/362220879.db2.gz VRBFWNIVBQYARF-LLVKDONJSA-N 1 2 240.351 1.309 20 0 BDADLO CC(C)C[C@@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641095670 362220885 /nfs/dbraw/zinc/22/08/85/362220885.db2.gz VRBFWNIVBQYARF-LLVKDONJSA-N 1 2 240.351 1.309 20 0 BDADLO CC[N@H+](Cc1nc(C)c(C)[nH]1)[C@@H]1CCOC1 ZINC000628289703 346941771 /nfs/dbraw/zinc/94/17/71/346941771.db2.gz OGJMKJGUEUYJRV-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CC[N@@H+](Cc1nc(C)c(C)[nH]1)[C@@H]1CCOC1 ZINC000628289703 346941773 /nfs/dbraw/zinc/94/17/73/346941773.db2.gz OGJMKJGUEUYJRV-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H]1CCOC1 ZINC000628289703 346941776 /nfs/dbraw/zinc/94/17/76/346941776.db2.gz OGJMKJGUEUYJRV-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351103905 136368041 /nfs/dbraw/zinc/36/80/41/136368041.db2.gz SHWUJDJJZMGPAH-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351103905 136368042 /nfs/dbraw/zinc/36/80/42/136368042.db2.gz SHWUJDJJZMGPAH-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351106619 136368106 /nfs/dbraw/zinc/36/81/06/136368106.db2.gz XMQVZPZKBGCBLF-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351106619 136368107 /nfs/dbraw/zinc/36/81/07/136368107.db2.gz XMQVZPZKBGCBLF-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CN(Cc1ccoc1)c1[nH+]cnc2c1cnn2C ZINC000048836978 136372746 /nfs/dbraw/zinc/37/27/46/136372746.db2.gz SGUCFLAIUSZYII-UHFFFAOYSA-N 1 2 243.270 1.593 20 0 BDADLO COC[C@@H](Nc1cc(C)[nH+]cn1)C(C)C ZINC000083402454 343480914 /nfs/dbraw/zinc/48/09/14/343480914.db2.gz ONBQSTQESJXJOU-SNVBAGLBSA-N 1 2 209.293 1.868 20 0 BDADLO CC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000149384696 346942442 /nfs/dbraw/zinc/94/24/42/346942442.db2.gz KNMARZXUNSUTIO-LBPRGKRZSA-N 1 2 219.284 1.779 20 0 BDADLO CC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000149384696 346942444 /nfs/dbraw/zinc/94/24/44/346942444.db2.gz KNMARZXUNSUTIO-LBPRGKRZSA-N 1 2 219.284 1.779 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000070850831 343514734 /nfs/dbraw/zinc/51/47/34/343514734.db2.gz NCTOBHBHYKBWGH-RKDXNWHRSA-N 1 2 227.329 1.830 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083246884 343520239 /nfs/dbraw/zinc/52/02/39/343520239.db2.gz YRASCTUOZMSFKN-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083246884 343520240 /nfs/dbraw/zinc/52/02/40/343520240.db2.gz YRASCTUOZMSFKN-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC=CC1 ZINC000616693619 343539450 /nfs/dbraw/zinc/53/94/50/343539450.db2.gz UNQLZSINIXDFKK-SNVBAGLBSA-N 1 2 245.326 1.740 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC=CC1 ZINC000616693619 343539452 /nfs/dbraw/zinc/53/94/52/343539452.db2.gz UNQLZSINIXDFKK-SNVBAGLBSA-N 1 2 245.326 1.740 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccnc1 ZINC000047028555 343556750 /nfs/dbraw/zinc/55/67/50/343556750.db2.gz GJRAOEPJZJEFKO-JTQLQIEISA-N 1 2 245.286 1.488 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccn1 ZINC000616744418 343558172 /nfs/dbraw/zinc/55/81/72/343558172.db2.gz UQYUSVVQLSNFIU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)ccn1 ZINC000616744418 343558175 /nfs/dbraw/zinc/55/81/75/343558175.db2.gz UQYUSVVQLSNFIU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)C(=O)OC ZINC000379493976 343565440 /nfs/dbraw/zinc/56/54/40/343565440.db2.gz VQOCNFHZKRPKQA-XHNCKOQMSA-N 1 2 217.334 1.422 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[C@H]1C1CC1 ZINC000577033642 365777669 /nfs/dbraw/zinc/77/76/69/365777669.db2.gz VKRSYXHVBCBGRA-UWVGGRQHSA-N 1 2 243.314 1.821 20 0 BDADLO CCCN(C(=O)[C@@H]1COCC[N@@H+]1CC)C(C)C ZINC000622742534 343598943 /nfs/dbraw/zinc/59/89/43/343598943.db2.gz NCGUCWYRGIVWJV-LBPRGKRZSA-N 1 2 242.363 1.354 20 0 BDADLO CCCN(C(=O)[C@@H]1COCC[N@H+]1CC)C(C)C ZINC000622742534 343598945 /nfs/dbraw/zinc/59/89/45/343598945.db2.gz NCGUCWYRGIVWJV-LBPRGKRZSA-N 1 2 242.363 1.354 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000052660215 343637893 /nfs/dbraw/zinc/63/78/93/343637893.db2.gz FCEAEVKCXUCITJ-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000052660215 343637894 /nfs/dbraw/zinc/63/78/94/343637894.db2.gz FCEAEVKCXUCITJ-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO CC[C@@H]1C[N@H+](C)CCN1Cc1ncccc1O ZINC000556953179 343627866 /nfs/dbraw/zinc/62/78/66/343627866.db2.gz FUWMJYIYVMOHJQ-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CC[C@@H]1C[N@@H+](C)CCN1Cc1ncccc1O ZINC000556953179 343627868 /nfs/dbraw/zinc/62/78/68/343627868.db2.gz FUWMJYIYVMOHJQ-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CNC(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051967126 343630541 /nfs/dbraw/zinc/63/05/41/343630541.db2.gz MQMJTEHGYLHXMB-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO CNC(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000051967126 343630544 /nfs/dbraw/zinc/63/05/44/343630544.db2.gz MQMJTEHGYLHXMB-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(=O)[C@H](C)C2)ccn1 ZINC000391276793 343661051 /nfs/dbraw/zinc/66/10/51/343661051.db2.gz LYFXYADWZKFOFA-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CCC(=O)[C@H](C)C2)ccn1 ZINC000391276793 343661053 /nfs/dbraw/zinc/66/10/53/343661053.db2.gz LYFXYADWZKFOFA-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO C/C=C/c1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641169034 362250002 /nfs/dbraw/zinc/25/00/02/362250002.db2.gz RVVUHVYNEYCUAS-ONEGZZNKSA-N 1 2 230.271 1.763 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1cccc(F)c1 ZINC000083970506 343691829 /nfs/dbraw/zinc/69/18/29/343691829.db2.gz YOSBTVDACDCJGY-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C1CC1 ZINC000380176602 343686710 /nfs/dbraw/zinc/68/67/10/343686710.db2.gz KASLNEKXVLPFAA-SZEHBUNVSA-N 1 2 229.345 1.422 20 0 BDADLO Cc1occc1C[NH2+]Cc1cn(C)nn1 ZINC000309087190 346963045 /nfs/dbraw/zinc/96/30/45/346963045.db2.gz ZEWLYBYLZSIMMS-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO Cc1cc(CNC(=O)COC(C)C)cc(C)[nH+]1 ZINC000421573741 192364488 /nfs/dbraw/zinc/36/44/88/192364488.db2.gz BWZHNPGDOJLAJI-UHFFFAOYSA-N 1 2 236.315 1.740 20 0 BDADLO C/C=C\CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000624389331 343748846 /nfs/dbraw/zinc/74/88/46/343748846.db2.gz XERJUNGQVIHRAT-XRVBUDJMSA-N 1 2 222.292 1.356 20 0 BDADLO CC(C)[N@H+](CC(=O)NCC(C)(C)C)C1COC1 ZINC000625450820 343777769 /nfs/dbraw/zinc/77/77/69/343777769.db2.gz UPJMLDKKSDJUHJ-UHFFFAOYSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)[N@@H+](CC(=O)NCC(C)(C)C)C1COC1 ZINC000625450820 343777770 /nfs/dbraw/zinc/77/77/70/343777770.db2.gz UPJMLDKKSDJUHJ-UHFFFAOYSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)c1ccco1 ZINC000625451128 343777914 /nfs/dbraw/zinc/77/79/14/343777914.db2.gz VEHPYZZYFGTKJL-JTQLQIEISA-N 1 2 247.298 1.855 20 0 BDADLO Cc1nc(N2CC[C@H](C3CCC3)C2)nc(N)[nH+]1 ZINC000631303097 343797307 /nfs/dbraw/zinc/79/73/07/343797307.db2.gz KEQLIYDMWSRNRM-JTQLQIEISA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C3CCC3)C2)[nH+]1 ZINC000631303097 343797309 /nfs/dbraw/zinc/79/73/09/343797309.db2.gz KEQLIYDMWSRNRM-JTQLQIEISA-N 1 2 233.319 1.219 20 0 BDADLO CNc1cc(N2CCC(CCO)CC2)nc[nH+]1 ZINC000400924543 343811430 /nfs/dbraw/zinc/81/14/30/343811430.db2.gz ABVIYCQWRSEKKT-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CCC(CCO)CC2)[nH+]cn1 ZINC000400924543 343811432 /nfs/dbraw/zinc/81/14/32/343811432.db2.gz ABVIYCQWRSEKKT-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\C1CC1 ZINC000493390686 529897580 /nfs/dbraw/zinc/89/75/80/529897580.db2.gz SUAHOAUPGMUWQQ-WAYWQWQTSA-N 1 2 233.315 1.698 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC12CC2 ZINC000625487906 343884459 /nfs/dbraw/zinc/88/44/59/343884459.db2.gz CFZCVGHWVKLKDZ-SECBINFHSA-N 1 2 219.288 1.606 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000621724588 343871995 /nfs/dbraw/zinc/87/19/95/343871995.db2.gz NKVRYXBVYUMCPI-WCQGTBRESA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000621724588 343871997 /nfs/dbraw/zinc/87/19/97/343871997.db2.gz NKVRYXBVYUMCPI-WCQGTBRESA-N 1 2 235.331 1.783 20 0 BDADLO CC(C)[C@@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641188057 362265120 /nfs/dbraw/zinc/26/51/20/362265120.db2.gz CWAZPGQFHVFIOO-MWLCHTKSSA-N 1 2 224.308 1.156 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1noc(C2CCC2)n1 ZINC000625528811 343919028 /nfs/dbraw/zinc/91/90/28/343919028.db2.gz MGWDZPYNYZFZRI-UHFFFAOYSA-N 1 2 247.302 1.692 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1noc(C2CCC2)n1 ZINC000625528811 343919030 /nfs/dbraw/zinc/91/90/30/343919030.db2.gz MGWDZPYNYZFZRI-UHFFFAOYSA-N 1 2 247.302 1.692 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000090578490 343935765 /nfs/dbraw/zinc/93/57/65/343935765.db2.gz ZJKWTBHCORLGRL-ONGXEEELSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625724924 344057195 /nfs/dbraw/zinc/05/71/95/344057195.db2.gz PVVZLMBEOGEHSU-SECBINFHSA-N 1 2 234.299 1.185 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625724924 344057197 /nfs/dbraw/zinc/05/71/97/344057197.db2.gz PVVZLMBEOGEHSU-SECBINFHSA-N 1 2 234.299 1.185 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)n1 ZINC000634735214 344117185 /nfs/dbraw/zinc/11/71/85/344117185.db2.gz ZKRHZZFCTYRODZ-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)n1 ZINC000634735214 344117188 /nfs/dbraw/zinc/11/71/88/344117188.db2.gz ZKRHZZFCTYRODZ-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ncc[nH]1 ZINC000336750831 537840475 /nfs/dbraw/zinc/84/04/75/537840475.db2.gz UYWSQGQLSGIWLW-PSASIEDQSA-N 1 2 237.328 1.855 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC1 ZINC000078578553 344099302 /nfs/dbraw/zinc/09/93/02/344099302.db2.gz HHBPBEVTBJCVPS-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO O=[N+]([O-])c1cccc(C[NH2+]Cc2cocn2)c1 ZINC000395202039 344123966 /nfs/dbraw/zinc/12/39/66/344123966.db2.gz WOBQNGHYRUJUCA-UHFFFAOYSA-N 1 2 233.227 1.873 20 0 BDADLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCC1=O ZINC000621959879 344127275 /nfs/dbraw/zinc/12/72/75/344127275.db2.gz HCWLFGQMBFFQAM-VIFPVBQESA-N 1 2 249.314 1.125 20 0 BDADLO CN1CCCC[C@@H]([N@H+](C)Cc2ccno2)C1=O ZINC000634737514 344136120 /nfs/dbraw/zinc/13/61/20/344136120.db2.gz TUSSRKWCVKRAEP-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO CN1CCCC[C@@H]([N@@H+](C)Cc2ccno2)C1=O ZINC000634737514 344136124 /nfs/dbraw/zinc/13/61/24/344136124.db2.gz TUSSRKWCVKRAEP-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)[C@@H](C)SCCCN1CC[NH+](C)CC1 ZINC000130946600 344209884 /nfs/dbraw/zinc/20/98/84/344209884.db2.gz GXVJLRFUXWNCLF-GFCCVEGCSA-N 1 2 244.404 1.335 20 0 BDADLO COCCOCCCNc1[nH+]cccc1OC ZINC000234684470 344196346 /nfs/dbraw/zinc/19/63/46/344196346.db2.gz KHMKZXVGMXGHLV-UHFFFAOYSA-N 1 2 240.303 1.555 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2ccno2)CCO1 ZINC000634750972 344201782 /nfs/dbraw/zinc/20/17/82/344201782.db2.gz ITSUNTAYXFOLHQ-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2ccno2)CCO1 ZINC000634750972 344201783 /nfs/dbraw/zinc/20/17/83/344201783.db2.gz ITSUNTAYXFOLHQ-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO CCC[C@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000631427060 344268889 /nfs/dbraw/zinc/26/88/89/344268889.db2.gz MAOVAMDHRYJEID-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO CCC[C@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000631427060 344268891 /nfs/dbraw/zinc/26/88/91/344268891.db2.gz MAOVAMDHRYJEID-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ccc2c(n1)C(=O)CC2 ZINC000641380832 362384449 /nfs/dbraw/zinc/38/44/49/362384449.db2.gz WEGIYIUVCOXDGH-UHFFFAOYSA-N 1 2 242.282 1.570 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc[nH+]1 ZINC000385118702 344330891 /nfs/dbraw/zinc/33/08/91/344330891.db2.gz JXELHJPWMWJBIV-KHQFGBGNSA-N 1 2 207.277 1.763 20 0 BDADLO CC(C)[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641371204 362379967 /nfs/dbraw/zinc/37/99/67/362379967.db2.gz QHNKTKMDZCDAKI-GFCCVEGCSA-N 1 2 224.304 1.393 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCSC1)c1[nH+]ccn1C ZINC000620602896 344353137 /nfs/dbraw/zinc/35/31/37/344353137.db2.gz FPOMKJBTKPVWHM-RKDXNWHRSA-N 1 2 239.344 1.350 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCS1)c1[nH+]ccn1C ZINC000620603575 344353656 /nfs/dbraw/zinc/35/36/56/344353656.db2.gz LKOXNPBFVHRUHB-BDAKNGLRSA-N 1 2 239.344 1.493 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CC1(F)F)c1[nH+]ccn1C ZINC000620607091 344358084 /nfs/dbraw/zinc/35/80/84/344358084.db2.gz FBGUHSUNMPOOOB-BQBZGAKWSA-N 1 2 229.230 1.253 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc(CO)cc[nH+]1 ZINC000603310198 349910781 /nfs/dbraw/zinc/91/07/81/349910781.db2.gz TURRXFDASHFNPB-SECBINFHSA-N 1 2 238.287 1.185 20 0 BDADLO C[C@@H](O)C[C@@H](C)CNc1cc(CO)cc[nH+]1 ZINC000641389383 362388005 /nfs/dbraw/zinc/38/80/05/362388005.db2.gz NDYQJSWVWZMSQE-NXEZZACHSA-N 1 2 224.304 1.393 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCC[C@H](O)C2)c1 ZINC000641392187 362390657 /nfs/dbraw/zinc/39/06/57/362390657.db2.gz JIDXAUFSYFJMFX-PWSUYJOCSA-N 1 2 236.315 1.537 20 0 BDADLO CC[C@H](SC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378014 347050703 /nfs/dbraw/zinc/05/07/03/347050703.db2.gz CFDDHZOUFRHKMB-JTQLQIEISA-N 1 2 239.344 1.436 20 0 BDADLO CC[C@H](SC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378014 347050708 /nfs/dbraw/zinc/05/07/08/347050708.db2.gz CFDDHZOUFRHKMB-JTQLQIEISA-N 1 2 239.344 1.436 20 0 BDADLO O[C@H]1CCCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641390527 362389529 /nfs/dbraw/zinc/38/95/29/362389529.db2.gz HHKAWXGGSWTSOW-SKDRFNHKSA-N 1 2 224.279 1.606 20 0 BDADLO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000041015575 344412066 /nfs/dbraw/zinc/41/20/66/344412066.db2.gz JYFPZPIIVCFJED-GHMZBOCLSA-N 1 2 209.293 1.457 20 0 BDADLO Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1C ZINC000584296763 344436380 /nfs/dbraw/zinc/43/63/80/344436380.db2.gz HULJBBLTLUSEJH-UHFFFAOYSA-N 1 2 246.314 1.722 20 0 BDADLO CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000584300328 344438439 /nfs/dbraw/zinc/43/84/39/344438439.db2.gz NXEWCFKSCGRVDD-UHFFFAOYSA-N 1 2 217.272 1.735 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2cocn2)cn1 ZINC000381348292 344496567 /nfs/dbraw/zinc/49/65/67/344496567.db2.gz ZTBYEFMRAFAZLV-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccccn2)C(C)(C)C1 ZINC000182188979 259376688 /nfs/dbraw/zinc/37/66/88/259376688.db2.gz BZYIGDWNYAGQDV-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccccn2)C(C)(C)C1 ZINC000182188979 259376689 /nfs/dbraw/zinc/37/66/89/259376689.db2.gz BZYIGDWNYAGQDV-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO Cc1cc(N2CC[C@@H]3OCCC[C@@H]3C2)nc[nH+]1 ZINC000152335510 344520340 /nfs/dbraw/zinc/52/03/40/344520340.db2.gz NEFPFKATNIUOSO-NEPJUHHUSA-N 1 2 233.315 1.790 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000389379876 344534306 /nfs/dbraw/zinc/53/43/06/344534306.db2.gz JRNABIUVJHOKQM-UHFFFAOYSA-N 1 2 245.261 1.116 20 0 BDADLO CCc1cc(NC[C@](C)(O)C2CC2)nc[nH+]1 ZINC000381687152 344535405 /nfs/dbraw/zinc/53/54/05/344535405.db2.gz YVHQEFTVXDCHHB-LBPRGKRZSA-N 1 2 221.304 1.034 20 0 BDADLO COC(=O)CCC[N@H+](C)Cc1csc(C)n1 ZINC000044609418 344542399 /nfs/dbraw/zinc/54/23/99/344542399.db2.gz RFYYFKRRZJZECH-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO COC(=O)CCC[N@@H+](C)Cc1csc(C)n1 ZINC000044609418 344542400 /nfs/dbraw/zinc/54/24/00/344542400.db2.gz RFYYFKRRZJZECH-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)C1CCOCC1 ZINC000641440019 362420355 /nfs/dbraw/zinc/42/03/55/362420355.db2.gz GNXUZOQJNPLOMP-VIFPVBQESA-N 1 2 224.279 1.870 20 0 BDADLO Cc1noc(OCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000641449941 362424720 /nfs/dbraw/zinc/42/47/20/362424720.db2.gz FYFMTMNGUKJKSF-UHFFFAOYSA-N 1 2 244.254 1.876 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000577742683 344594131 /nfs/dbraw/zinc/59/41/31/344594131.db2.gz CXOOYPDIXSJNIM-NWDGAFQWSA-N 1 2 248.326 1.741 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000577742683 344594135 /nfs/dbraw/zinc/59/41/35/344594135.db2.gz CXOOYPDIXSJNIM-NWDGAFQWSA-N 1 2 248.326 1.741 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000641465885 362439159 /nfs/dbraw/zinc/43/91/59/362439159.db2.gz QHTQSSGIVAEMSJ-KCJUWKMLSA-N 1 2 210.252 1.428 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCCOC[C@H]1C ZINC000684096183 488266856 /nfs/dbraw/zinc/26/68/56/488266856.db2.gz SAVHDXYNWKSKPR-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO COC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048336827 344586267 /nfs/dbraw/zinc/58/62/67/344586267.db2.gz BCYSGTHNRYJDTG-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048336827 344586270 /nfs/dbraw/zinc/58/62/70/344586270.db2.gz BCYSGTHNRYJDTG-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO CO[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C1(C)C ZINC000641426492 362410662 /nfs/dbraw/zinc/41/06/62/362410662.db2.gz QXMPHGVMMYHLJS-WDEREUQCSA-N 1 2 236.315 1.799 20 0 BDADLO CC[C@@H](CCO)CNc1cc[nH+]cc1F ZINC000641428622 362411681 /nfs/dbraw/zinc/41/16/81/362411681.db2.gz MYURBPDNECCOAK-VIFPVBQESA-N 1 2 212.268 1.463 20 0 BDADLO COC(=O)C[N@H+](C)CCOc1ccccc1 ZINC000048583870 344587750 /nfs/dbraw/zinc/58/77/50/344587750.db2.gz JCWGSSCTNMVZGG-UHFFFAOYSA-N 1 2 223.272 1.170 20 0 BDADLO COC(=O)C[N@@H+](C)CCOc1ccccc1 ZINC000048583870 344587752 /nfs/dbraw/zinc/58/77/52/344587752.db2.gz JCWGSSCTNMVZGG-UHFFFAOYSA-N 1 2 223.272 1.170 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCCSC2)c1 ZINC000641436475 362417460 /nfs/dbraw/zinc/41/74/60/362417460.db2.gz BBWDQLKEPWQNMS-JTQLQIEISA-N 1 2 224.329 1.881 20 0 BDADLO C[C@@H]1C[C@H](CNc2cc(CO)cc[nH+]2)CCO1 ZINC000641478391 362447738 /nfs/dbraw/zinc/44/77/38/362447738.db2.gz PPMCUNCTOIGOON-GHMZBOCLSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@H]1C[C@H](CNc2cc(CO)cc[nH+]2)CCO1 ZINC000641478768 362447824 /nfs/dbraw/zinc/44/78/24/362447824.db2.gz PPMCUNCTOIGOON-WDEREUQCSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]cc2F)CCO1 ZINC000641475965 362448456 /nfs/dbraw/zinc/44/84/56/362448456.db2.gz VYFVLTHQOLSSEH-RKDXNWHRSA-N 1 2 210.252 1.622 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641481283 362448857 /nfs/dbraw/zinc/44/88/57/362448857.db2.gz WJOXCXFEKDKVCD-NWDGAFQWSA-N 1 2 236.315 1.801 20 0 BDADLO CC(C)(CCCO)CNc1cc(CO)cc[nH+]1 ZINC000641480668 362451148 /nfs/dbraw/zinc/45/11/48/362451148.db2.gz UFSASNDQTWBQJN-UHFFFAOYSA-N 1 2 238.331 1.785 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)[C@@H]1CCCOC1 ZINC000641484616 362452250 /nfs/dbraw/zinc/45/22/50/362452250.db2.gz VXYLDVKMVXTTGX-VHSXEESVSA-N 1 2 224.279 1.870 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641486805 362453507 /nfs/dbraw/zinc/45/35/07/362453507.db2.gz CNFFPSGXWHLNBO-DTWKUNHWSA-N 1 2 210.277 1.145 20 0 BDADLO CO[C@H]1CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641487722 362454904 /nfs/dbraw/zinc/45/49/04/362454904.db2.gz NKZUKFVAETXXAX-LBPRGKRZSA-N 1 2 236.315 1.579 20 0 BDADLO CC1(CO)CCN(c2cc[nH+]cc2F)CC1 ZINC000641489499 362457366 /nfs/dbraw/zinc/45/73/66/362457366.db2.gz OKUXMUMLKYLELX-UHFFFAOYSA-N 1 2 224.279 1.820 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)[C@H]1OC ZINC000641490389 362458597 /nfs/dbraw/zinc/45/85/97/362458597.db2.gz XTCLGWXAPRYRSL-IJLUTSLNSA-N 1 2 240.278 1.247 20 0 BDADLO CCO[C@H](C(=O)NCc1[nH]c[nH+]c1C)C(C)C ZINC000625966599 344615091 /nfs/dbraw/zinc/61/50/91/344615091.db2.gz ORMZXSROUJPNGU-NSHDSACASA-N 1 2 239.319 1.395 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641498021 362461912 /nfs/dbraw/zinc/46/19/12/362461912.db2.gz VCDGJVBPJWEFHR-VUDBWIFFSA-N 1 2 222.288 1.313 20 0 BDADLO Fc1c[nH+]ccc1N1CCO[C@@H](C2CC2)C1 ZINC000641500367 362462740 /nfs/dbraw/zinc/46/27/40/362462740.db2.gz GHSRGTMQRMFXFG-GFCCVEGCSA-N 1 2 222.263 1.836 20 0 BDADLO CC1(C)CC[C@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641504968 362467748 /nfs/dbraw/zinc/46/77/48/362467748.db2.gz VGAWPVXCKBAMFO-LLVKDONJSA-N 1 2 236.315 1.943 20 0 BDADLO CN(CC1(CO)CC1)c1cc[nH+]cc1F ZINC000641521431 362478555 /nfs/dbraw/zinc/47/85/55/362478555.db2.gz PYZPLVQRIKXXGB-UHFFFAOYSA-N 1 2 210.252 1.429 20 0 BDADLO CC(C)=CCCNc1cc(CO)cc[nH+]1 ZINC000641528006 362481609 /nfs/dbraw/zinc/48/16/09/362481609.db2.gz ABEVONAFAMFVLK-UHFFFAOYSA-N 1 2 206.289 1.764 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](CCF)C2)cn1 ZINC000626007276 344665745 /nfs/dbraw/zinc/66/57/45/344665745.db2.gz ZZHDPIPXCLSZKI-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](CCF)C2)cn1 ZINC000626007276 344665748 /nfs/dbraw/zinc/66/57/48/344665748.db2.gz ZZHDPIPXCLSZKI-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCCC1CC1 ZINC000127843638 344666239 /nfs/dbraw/zinc/66/62/39/344666239.db2.gz FWWPFZVAFUGYCG-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005072 344666737 /nfs/dbraw/zinc/66/67/37/344666737.db2.gz UVDNZHQEISNFEF-GHMZBOCLSA-N 1 2 239.294 1.598 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@H](CCF)C1 ZINC000626005072 344666738 /nfs/dbraw/zinc/66/67/38/344666738.db2.gz UVDNZHQEISNFEF-GHMZBOCLSA-N 1 2 239.294 1.598 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCF ZINC000626017838 344674615 /nfs/dbraw/zinc/67/46/15/344674615.db2.gz DZTKJNLFRLIBSN-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCF ZINC000626017838 344674617 /nfs/dbraw/zinc/67/46/17/344674617.db2.gz DZTKJNLFRLIBSN-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018953 344675110 /nfs/dbraw/zinc/67/51/10/344675110.db2.gz DYTQJTXVHWCUKP-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018953 344675111 /nfs/dbraw/zinc/67/51/11/344675111.db2.gz DYTQJTXVHWCUKP-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO COc1cccc2c1CN(Cc1[nH+]ccn1C)C2 ZINC000626021928 344677530 /nfs/dbraw/zinc/67/75/30/344677530.db2.gz WAOAXBBWNVBXLY-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CC(C)C1)CC2 ZINC000625971768 344631439 /nfs/dbraw/zinc/63/14/39/344631439.db2.gz ZUUAIOODZOVFDA-ZYXZCXLHSA-N 1 2 247.342 1.669 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000050064516 344718416 /nfs/dbraw/zinc/71/84/16/344718416.db2.gz PZFJCYIWQLXUIZ-NSHDSACASA-N 1 2 223.272 1.807 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000050064516 344718418 /nfs/dbraw/zinc/71/84/18/344718418.db2.gz PZFJCYIWQLXUIZ-NSHDSACASA-N 1 2 223.272 1.807 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1cncs1 ZINC000493567228 530025893 /nfs/dbraw/zinc/02/58/93/530025893.db2.gz MTHZWCFRETTZAX-IHWYPQMZSA-N 1 2 248.311 1.538 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccn(C)c1 ZINC000493319237 530026157 /nfs/dbraw/zinc/02/61/57/530026157.db2.gz JVELKOOBOJAJDE-ARJAWSKDSA-N 1 2 244.298 1.420 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551540 344779198 /nfs/dbraw/zinc/77/91/98/344779198.db2.gz RKXFJPCHZQTRDM-SECBINFHSA-N 1 2 245.286 1.153 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551540 344779200 /nfs/dbraw/zinc/77/92/00/344779200.db2.gz RKXFJPCHZQTRDM-SECBINFHSA-N 1 2 245.286 1.153 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557201 344779287 /nfs/dbraw/zinc/77/92/87/344779287.db2.gz OKHPPVQPWPDUSL-GHMZBOCLSA-N 1 2 249.314 1.295 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@@H](CC)C2)[nH]1 ZINC000181726044 347070752 /nfs/dbraw/zinc/07/07/52/347070752.db2.gz LKAYIQLCKNDZCL-VIFPVBQESA-N 1 2 240.376 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@@H](CC)C2)[nH]1 ZINC000181726044 347070755 /nfs/dbraw/zinc/07/07/55/347070755.db2.gz LKAYIQLCKNDZCL-VIFPVBQESA-N 1 2 240.376 1.695 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1NC(=O)Cn1cc[nH+]c1 ZINC000075682016 344784430 /nfs/dbraw/zinc/78/44/30/344784430.db2.gz VBPAKCYMUFKVEA-GHMZBOCLSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nc(C[N@@H+]2CCC3(C2)CCOCC3)no1 ZINC000076157260 344798570 /nfs/dbraw/zinc/79/85/70/344798570.db2.gz XEYUUDSRXCKSLN-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO Cc1nc(C[N@H+]2CCC3(C2)CCOCC3)no1 ZINC000076157260 344798572 /nfs/dbraw/zinc/79/85/72/344798572.db2.gz XEYUUDSRXCKSLN-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)C ZINC000076552829 344804491 /nfs/dbraw/zinc/80/44/91/344804491.db2.gz KPBWCOAHHPCRNW-JTQLQIEISA-N 1 2 238.335 1.617 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000628140461 344805657 /nfs/dbraw/zinc/80/56/57/344805657.db2.gz LGUOQDWWKPLKSG-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000628140461 344805659 /nfs/dbraw/zinc/80/56/59/344805659.db2.gz LGUOQDWWKPLKSG-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000077177379 344810198 /nfs/dbraw/zinc/81/01/98/344810198.db2.gz HXVNVERCGRTFFG-OZVIIMIRSA-N 1 2 247.404 1.644 20 0 BDADLO CCCCOCC[N@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000077177379 344810200 /nfs/dbraw/zinc/81/02/00/344810200.db2.gz HXVNVERCGRTFFG-OZVIIMIRSA-N 1 2 247.404 1.644 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CC=CCC2)c[nH+]1 ZINC000077039040 344812875 /nfs/dbraw/zinc/81/28/75/344812875.db2.gz CJRGHHFIVCJGHY-VIFPVBQESA-N 1 2 205.261 1.557 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000560540017 344815606 /nfs/dbraw/zinc/81/56/06/344815606.db2.gz UUPRYOXUDSIZAV-USWWRNFRSA-N 1 2 248.330 1.408 20 0 BDADLO COC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000078256238 344836626 /nfs/dbraw/zinc/83/66/26/344836626.db2.gz IFACAOZCFNVCRR-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO Cc1nc(NC[C@H](C)C[C@H](C)O)cc[nH+]1 ZINC000078299032 344842702 /nfs/dbraw/zinc/84/27/02/344842702.db2.gz VYMIASXPACKEMN-BDAKNGLRSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1[nH]c(CN2CCS[C@H](C)C2)[nH+]c1C ZINC000628163275 344864050 /nfs/dbraw/zinc/86/40/50/344864050.db2.gz WCBDCYCQANYQLJ-MRVPVSSYSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1nc(C[N@@H+]2CCS[C@H](C)C2)[nH]c1C ZINC000628163275 344864052 /nfs/dbraw/zinc/86/40/52/344864052.db2.gz WCBDCYCQANYQLJ-MRVPVSSYSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1nc(C[N@H+]2CCS[C@H](C)C2)[nH]c1C ZINC000628163275 344864054 /nfs/dbraw/zinc/86/40/54/344864054.db2.gz WCBDCYCQANYQLJ-MRVPVSSYSA-N 1 2 225.361 1.964 20 0 BDADLO CC[C@@H](O)C[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000560729350 344873741 /nfs/dbraw/zinc/87/37/41/344873741.db2.gz AGHWWJLVJZPJJN-CQSZACIVSA-N 1 2 233.311 1.976 20 0 BDADLO CC[C@@H](O)C[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000560729350 344873743 /nfs/dbraw/zinc/87/37/43/344873743.db2.gz AGHWWJLVJZPJJN-CQSZACIVSA-N 1 2 233.311 1.976 20 0 BDADLO COCCOC[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000078520974 344878773 /nfs/dbraw/zinc/87/87/73/344878773.db2.gz NYTRFBRVVXTUFQ-LBPRGKRZSA-N 1 2 236.315 1.571 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cn[nH]c2)[nH+]c1C ZINC000628175743 344900116 /nfs/dbraw/zinc/90/01/16/344900116.db2.gz IQTSQPOIXIRTJD-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cn[nH]c2)[nH+]1 ZINC000628176025 344900745 /nfs/dbraw/zinc/90/07/45/344900745.db2.gz SDRMRUYOOJRQNE-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO C[C@H](CNC(=O)c1cccnc1)Cn1cc[nH+]c1 ZINC000153707049 344959037 /nfs/dbraw/zinc/95/90/37/344959037.db2.gz JNJWESKDWUYOEN-LLVKDONJSA-N 1 2 244.298 1.344 20 0 BDADLO Cn1ncnc1CSc1[nH+]cc2ccccn21 ZINC000153722951 344960553 /nfs/dbraw/zinc/96/05/53/344960553.db2.gz LAXFIOMCGDYUBM-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccc[nH]2)o1 ZINC000628188314 344940747 /nfs/dbraw/zinc/94/07/47/344940747.db2.gz VZECQXHNEVVWOK-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccc[nH]2)o1 ZINC000628188314 344940749 /nfs/dbraw/zinc/94/07/49/344940749.db2.gz VZECQXHNEVVWOK-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO OC[C@]1(F)CCN(c2cc[nH+]cc2F)C1 ZINC000641559411 362504448 /nfs/dbraw/zinc/50/44/48/362504448.db2.gz JJTXNGVGYIJLEM-JTQLQIEISA-N 1 2 214.215 1.131 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1cc[nH+]cc1F ZINC000603321337 349922263 /nfs/dbraw/zinc/92/22/63/349922263.db2.gz WXGGSIJYTPRWTG-MRVPVSSYSA-N 1 2 226.251 1.466 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000154835685 345053445 /nfs/dbraw/zinc/05/34/45/345053445.db2.gz UBQDXQDCMKHOIC-OLZOCXBDSA-N 1 2 247.342 1.778 20 0 BDADLO CCC[C@@H](CNc1cc[nH+]cc1F)OC ZINC000641614678 362550562 /nfs/dbraw/zinc/55/05/62/362550562.db2.gz SSZGKPZJTMTDIR-VIFPVBQESA-N 1 2 212.268 1.870 20 0 BDADLO FCC1(CNc2cc[nH+]cc2F)CCOCC1 ZINC000641619426 362551043 /nfs/dbraw/zinc/55/10/43/362551043.db2.gz SBLPNHKGGHNHLE-UHFFFAOYSA-N 1 2 242.269 1.821 20 0 BDADLO CO[C@@H]1CCN(c2cc(CO)cc[nH+]2)C[C@@H]1C ZINC000641618566 362551550 /nfs/dbraw/zinc/55/15/50/362551550.db2.gz HVIJUPJILITOAJ-CMPLNLGQSA-N 1 2 236.315 1.435 20 0 BDADLO Cc1cccnc1CCNc1cc(CO)cc[nH+]1 ZINC000641618609 362551583 /nfs/dbraw/zinc/55/15/83/362551583.db2.gz IOAUCSBBOYZQBS-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO CC[C@H](Nc1cc(CO)cc[nH+]1)[C@H](C)O ZINC000641620992 362553051 /nfs/dbraw/zinc/55/30/51/362553051.db2.gz KAQWPKLNMCTVQN-WPRPVWTQSA-N 1 2 210.277 1.145 20 0 BDADLO C[C@H](Cc1cnn(C)c1)Nc1cc(CO)cc[nH+]1 ZINC000641622084 362554255 /nfs/dbraw/zinc/55/42/55/362554255.db2.gz NVQLQSVEPBZJGK-SNVBAGLBSA-N 1 2 246.314 1.351 20 0 BDADLO CC(F)(F)CNc1cc(CO)cc[nH+]1 ZINC000641611223 362546080 /nfs/dbraw/zinc/54/60/80/362546080.db2.gz MRLZFPQMKZNDMI-UHFFFAOYSA-N 1 2 202.204 1.641 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156093365 345122179 /nfs/dbraw/zinc/12/21/79/345122179.db2.gz UIGSOVHLPRMNBH-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156093365 345122180 /nfs/dbraw/zinc/12/21/80/345122180.db2.gz UIGSOVHLPRMNBH-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO COCC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000641655784 362579740 /nfs/dbraw/zinc/57/97/40/362579740.db2.gz ZKHZHMUMGSEJST-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO COC1CC(CCNc2cc[nH+]cc2F)C1 ZINC000641656509 362579901 /nfs/dbraw/zinc/57/99/01/362579901.db2.gz IWSZFIMREGMBRR-UHFFFAOYSA-N 1 2 224.279 1.870 20 0 BDADLO CC[C@@H](C)CCNc1cc(CO)cc[nH+]1 ZINC000641657158 362581456 /nfs/dbraw/zinc/58/14/56/362581456.db2.gz QDNFUINUYHCEDI-SNVBAGLBSA-N 1 2 208.305 1.844 20 0 BDADLO C[C@H]1CC[C@@H](CNc2cc[nH+]cc2F)O1 ZINC000641626927 362556327 /nfs/dbraw/zinc/55/63/27/362556327.db2.gz IBOPYXDSHMNQLJ-IUCAKERBSA-N 1 2 210.252 1.622 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@@]3(CCOC3)C2)c1 ZINC000641628649 362559455 /nfs/dbraw/zinc/55/94/55/362559455.db2.gz FHVBGNLUFPJABW-CQSZACIVSA-N 1 2 248.326 1.581 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccon2)nc1C ZINC000634984669 345168653 /nfs/dbraw/zinc/16/86/53/345168653.db2.gz YPFGKGOEMWQYEB-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000564413990 345131254 /nfs/dbraw/zinc/13/12/54/345131254.db2.gz IPWKFGNUTFWMAK-SECBINFHSA-N 1 2 234.303 1.207 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156175204 345131964 /nfs/dbraw/zinc/13/19/64/345131964.db2.gz KDSQBPKSNQJXOC-LLVKDONJSA-N 1 2 233.315 1.314 20 0 BDADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC1 ZINC000635137366 345256135 /nfs/dbraw/zinc/25/61/35/345256135.db2.gz OKMPINJHZNPYLB-QMMMGPOBSA-N 1 2 247.220 1.609 20 0 BDADLO COC[C@@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635079811 345242919 /nfs/dbraw/zinc/24/29/19/345242919.db2.gz YOXMEHDXTUBERM-SNVBAGLBSA-N 1 2 247.298 1.407 20 0 BDADLO Fc1ccccc1C1CC([NH2+]Cc2c[nH]nn2)C1 ZINC000398341523 345251888 /nfs/dbraw/zinc/25/18/88/345251888.db2.gz NDMMBPYBDAUXCG-UHFFFAOYSA-N 1 2 246.289 1.980 20 0 BDADLO Fc1ccccc1C1CC([NH2+]Cc2cn[nH]n2)C1 ZINC000398341523 345251890 /nfs/dbraw/zinc/25/18/90/345251890.db2.gz NDMMBPYBDAUXCG-UHFFFAOYSA-N 1 2 246.289 1.980 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635125027 345252925 /nfs/dbraw/zinc/25/29/25/345252925.db2.gz FFVKQYYUYNJMHN-SZEHBUNVSA-N 1 2 219.288 1.428 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635125027 345252926 /nfs/dbraw/zinc/25/29/26/345252926.db2.gz FFVKQYYUYNJMHN-SZEHBUNVSA-N 1 2 219.288 1.428 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)C2CC2)[nH+]1 ZINC000635124802 345253160 /nfs/dbraw/zinc/25/31/60/345253160.db2.gz BBCVPVXLPAQMJB-QMMMGPOBSA-N 1 2 221.304 1.429 20 0 BDADLO O=C([O-])[C@H](C1CC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000635015461 345219801 /nfs/dbraw/zinc/21/98/01/345219801.db2.gz FJXVNJNQBNLFHY-LBPRGKRZSA-N 1 2 249.314 1.452 20 0 BDADLO O=C([O-])[C@H](C1CC1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000635015461 345219803 /nfs/dbraw/zinc/21/98/03/345219803.db2.gz FJXVNJNQBNLFHY-LBPRGKRZSA-N 1 2 249.314 1.452 20 0 BDADLO CCC(O)(CC)C[N@H+](C)Cc1csnn1 ZINC000626112128 345278783 /nfs/dbraw/zinc/27/87/83/345278783.db2.gz OEEJEIXQJLTWFH-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)Cc1csnn1 ZINC000626112128 345278784 /nfs/dbraw/zinc/27/87/84/345278784.db2.gz OEEJEIXQJLTWFH-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C1CCC1 ZINC000080596949 345322755 /nfs/dbraw/zinc/32/27/55/345322755.db2.gz NJHIUMQAESOZEQ-JTQLQIEISA-N 1 2 236.319 1.466 20 0 BDADLO C[C@@H](C[S@@](C)=O)N(C)c1cc[nH+]cc1F ZINC000603333721 349926360 /nfs/dbraw/zinc/92/63/60/349926360.db2.gz HYGRURZXPWATJN-VXJOIVPMSA-N 1 2 230.308 1.424 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635421066 345360440 /nfs/dbraw/zinc/36/04/40/345360440.db2.gz JOWYULJVSQEAPM-JMJZKYOTSA-N 1 2 233.315 1.676 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635421066 345360441 /nfs/dbraw/zinc/36/04/41/345360441.db2.gz JOWYULJVSQEAPM-JMJZKYOTSA-N 1 2 233.315 1.676 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2cc(C)no2)[nH+]1 ZINC000635426739 345363468 /nfs/dbraw/zinc/36/34/68/345363468.db2.gz CUUBHRHSSYAUNC-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H]2CC=CCC2)[nH+]1 ZINC000635429807 345365603 /nfs/dbraw/zinc/36/56/03/345365603.db2.gz PYHGZSPJKCEBHR-NSHDSACASA-N 1 2 247.342 1.987 20 0 BDADLO CC1(C)C[N@H+](Cc2ccco2)C[C@H](CO)O1 ZINC000158735253 345371165 /nfs/dbraw/zinc/37/11/65/345371165.db2.gz DRQDSHYNCLKKCA-LLVKDONJSA-N 1 2 225.288 1.251 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccco2)C[C@H](CO)O1 ZINC000158735253 345371168 /nfs/dbraw/zinc/37/11/68/345371168.db2.gz DRQDSHYNCLKKCA-LLVKDONJSA-N 1 2 225.288 1.251 20 0 BDADLO CO[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635476208 345387246 /nfs/dbraw/zinc/38/72/46/345387246.db2.gz PNQQTMKXYJDGCK-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO CO[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635476208 345387248 /nfs/dbraw/zinc/38/72/48/345387248.db2.gz PNQQTMKXYJDGCK-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000134592973 345416748 /nfs/dbraw/zinc/41/67/48/345416748.db2.gz GTYGAMNYFBDWSL-YNEJBJPTSA-N 1 2 243.376 1.526 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccoc1 ZINC000168974323 345417984 /nfs/dbraw/zinc/41/79/84/345417984.db2.gz NCISHIJATXUQHY-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H](C)O)o1 ZINC000159327471 345424474 /nfs/dbraw/zinc/42/44/74/345424474.db2.gz ZQORMFWIAYCUAM-HTQZYQBOSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H](C)O)o1 ZINC000159327471 345424475 /nfs/dbraw/zinc/42/44/75/345424475.db2.gz ZQORMFWIAYCUAM-HTQZYQBOSA-N 1 2 213.281 1.006 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080917534 345450422 /nfs/dbraw/zinc/45/04/22/345450422.db2.gz KYOVHVMPYIIBMI-SNVBAGLBSA-N 1 2 237.299 1.776 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080917534 345450424 /nfs/dbraw/zinc/45/04/24/345450424.db2.gz KYOVHVMPYIIBMI-SNVBAGLBSA-N 1 2 237.299 1.776 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C2CCC1CC2 ZINC000635488157 345393336 /nfs/dbraw/zinc/39/33/36/345393336.db2.gz BZEACVXIRRHBAY-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@@H]2CC)[nH+]1 ZINC000635486152 345393915 /nfs/dbraw/zinc/39/39/15/345393915.db2.gz CEFMHDCWQKVNCG-NSHDSACASA-N 1 2 235.331 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@H]2C2CC2)[nH+]1 ZINC000635494546 345398120 /nfs/dbraw/zinc/39/81/20/345398120.db2.gz DUZKAKVEKKKTIX-LBPRGKRZSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]Cc2cc[nH]c2)no1 ZINC000086253124 345536554 /nfs/dbraw/zinc/53/65/54/345536554.db2.gz CGORGUONCYKGHK-UHFFFAOYSA-N 1 2 220.276 1.731 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccco1 ZINC000090885554 345578247 /nfs/dbraw/zinc/57/82/47/345578247.db2.gz CTHIDFGRYUCHCX-MWLCHTKSSA-N 1 2 235.287 1.397 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000090007480 345561809 /nfs/dbraw/zinc/56/18/09/345561809.db2.gz PHEFQXCUZCORDJ-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000090007480 345561812 /nfs/dbraw/zinc/56/18/12/345561812.db2.gz PHEFQXCUZCORDJ-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO C[C@H]1CCC[C@@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539262 345597095 /nfs/dbraw/zinc/59/70/95/345597095.db2.gz OAKRRPLPWNZBIC-DTWKUNHWSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539262 345597096 /nfs/dbraw/zinc/59/70/96/345597096.db2.gz OAKRRPLPWNZBIC-DTWKUNHWSA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)C[N@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)C ZINC000091592540 345600477 /nfs/dbraw/zinc/60/04/77/345600477.db2.gz SEIIKOBBHOCDAA-UHFFFAOYSA-N 1 2 240.351 1.602 20 0 BDADLO CC(C)C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC(C)(C)C ZINC000091592540 345600480 /nfs/dbraw/zinc/60/04/80/345600480.db2.gz SEIIKOBBHOCDAA-UHFFFAOYSA-N 1 2 240.351 1.602 20 0 BDADLO Cn1ncc2c1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000641675997 362596743 /nfs/dbraw/zinc/59/67/43/362596743.db2.gz KZXSNQCHASBCJO-UHFFFAOYSA-N 1 2 241.298 1.608 20 0 BDADLO COc1ccsc1C[N@@H+]1CCOC[C@H]1C ZINC000091814770 345611024 /nfs/dbraw/zinc/61/10/24/345611024.db2.gz BMDVOMOZAZCLCL-SECBINFHSA-N 1 2 227.329 1.977 20 0 BDADLO COc1ccsc1C[N@H+]1CCOC[C@H]1C ZINC000091814770 345611027 /nfs/dbraw/zinc/61/10/27/345611027.db2.gz BMDVOMOZAZCLCL-SECBINFHSA-N 1 2 227.329 1.977 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)CC[S@@](=O)C1 ZINC000603361512 349933053 /nfs/dbraw/zinc/93/30/53/349933053.db2.gz ZOZPSDIRULBAOA-JDNHERCYSA-N 1 2 242.319 1.426 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCCCO1 ZINC000092427966 345619758 /nfs/dbraw/zinc/61/97/58/345619758.db2.gz CLZNYEHKVDWVID-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CCCCO1 ZINC000092427966 345619759 /nfs/dbraw/zinc/61/97/59/345619759.db2.gz CLZNYEHKVDWVID-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CCCCO1 ZINC000092427966 345619762 /nfs/dbraw/zinc/61/97/62/345619762.db2.gz CLZNYEHKVDWVID-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CCCCO1 ZINC000092427966 345619764 /nfs/dbraw/zinc/61/97/64/345619764.db2.gz CLZNYEHKVDWVID-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO O[C@@H]1CC[C@H]2CC[N@H+](Cc3noc(C4CC4)n3)[C@@H]12 ZINC000626138379 345630524 /nfs/dbraw/zinc/63/05/24/345630524.db2.gz TXCHKXXHPDZIHZ-MKPLZMMCSA-N 1 2 249.314 1.292 20 0 BDADLO O[C@@H]1CC[C@H]2CC[N@@H+](Cc3noc(C4CC4)n3)[C@@H]12 ZINC000626138379 345630529 /nfs/dbraw/zinc/63/05/29/345630529.db2.gz TXCHKXXHPDZIHZ-MKPLZMMCSA-N 1 2 249.314 1.292 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(CO)o1)C(C)C ZINC000093287200 345660111 /nfs/dbraw/zinc/66/01/11/345660111.db2.gz MTDNLRXEBXTMQW-UHFFFAOYSA-N 1 2 241.287 1.155 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(CO)o1)C(C)C ZINC000093287200 345660113 /nfs/dbraw/zinc/66/01/13/345660113.db2.gz MTDNLRXEBXTMQW-UHFFFAOYSA-N 1 2 241.287 1.155 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccoc2)no1 ZINC000641709519 362618410 /nfs/dbraw/zinc/61/84/10/362618410.db2.gz FKLRJJRQQHKKJN-UHFFFAOYSA-N 1 2 222.244 1.704 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1cnccn1 ZINC000092591613 345640957 /nfs/dbraw/zinc/64/09/57/345640957.db2.gz UUEJYBOCFYEAKA-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1cnccn1 ZINC000092591613 345640959 /nfs/dbraw/zinc/64/09/59/345640959.db2.gz UUEJYBOCFYEAKA-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000092617320 345641247 /nfs/dbraw/zinc/64/12/47/345641247.db2.gz HTAGHIPFBSKEEP-NSHDSACASA-N 1 2 244.298 1.630 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000092617320 345641253 /nfs/dbraw/zinc/64/12/53/345641253.db2.gz HTAGHIPFBSKEEP-NSHDSACASA-N 1 2 244.298 1.630 20 0 BDADLO CC1CCC([N@H+](C)Cc2n[nH]c(=O)[nH]2)CC1 ZINC000092617004 345641759 /nfs/dbraw/zinc/64/17/59/345641759.db2.gz PELLSALHXCGGME-UHFFFAOYSA-N 1 2 224.308 1.109 20 0 BDADLO CCc1cc(NCc2cncc(OC)c2)nc[nH+]1 ZINC000641673359 362598007 /nfs/dbraw/zinc/59/80/07/362598007.db2.gz KRHZVYPPPWCPAZ-UHFFFAOYSA-N 1 2 244.298 1.477 20 0 BDADLO CC(C)CC[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641678060 362600235 /nfs/dbraw/zinc/60/02/35/362600235.db2.gz PNOJWBUESAYBLA-GFCCVEGCSA-N 1 2 238.331 1.783 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000093323565 345651961 /nfs/dbraw/zinc/65/19/61/345651961.db2.gz WPOFAGQSPJGEBM-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000093323565 345651964 /nfs/dbraw/zinc/65/19/64/345651964.db2.gz WPOFAGQSPJGEBM-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@H](CCF)C2)c1 ZINC000641678972 362601007 /nfs/dbraw/zinc/60/10/07/362601007.db2.gz YZELQPSFDMTREQ-LLVKDONJSA-N 1 2 240.278 1.139 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccncc2N)s1 ZINC000641731222 362657080 /nfs/dbraw/zinc/65/70/80/362657080.db2.gz RFHLKFGPGUUTAS-UHFFFAOYSA-N 1 2 234.328 1.719 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]1C1CC1 ZINC000622636459 345699161 /nfs/dbraw/zinc/69/91/61/345699161.db2.gz AYWXGKHMHQLCTQ-LLVKDONJSA-N 1 2 219.288 1.284 20 0 BDADLO CC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000205537035 345732623 /nfs/dbraw/zinc/73/26/23/345732623.db2.gz FRESUODQQPSBFC-VIFPVBQESA-N 1 2 232.274 1.242 20 0 BDADLO C[C@@H](NC(=O)c1ccc[nH]c1=O)c1[nH]cc[nH+]1 ZINC000140759371 345822162 /nfs/dbraw/zinc/82/21/62/345822162.db2.gz KIRWCXSQHZGJHW-SSDOTTSWSA-N 1 2 232.243 1.001 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000140946368 345825969 /nfs/dbraw/zinc/82/59/69/345825969.db2.gz LFCIXONFLBQSKN-SSDOTTSWSA-N 1 2 246.270 1.431 20 0 BDADLO CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635572442 345829371 /nfs/dbraw/zinc/82/93/71/345829371.db2.gz JOGTYLQTSMTRLS-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635572442 345829374 /nfs/dbraw/zinc/82/93/74/345829374.db2.gz JOGTYLQTSMTRLS-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)C2CCC2)[nH+]1 ZINC000635616027 345895030 /nfs/dbraw/zinc/89/50/30/345895030.db2.gz ZLQVKTSVXVIATF-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO CC[C@H](COC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635591686 345884790 /nfs/dbraw/zinc/88/47/90/345884790.db2.gz VOBVAGVZVDELIQ-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO CC[C@H](COC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635591686 345884791 /nfs/dbraw/zinc/88/47/91/345884791.db2.gz VOBVAGVZVDELIQ-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635628368 345902685 /nfs/dbraw/zinc/90/26/85/345902685.db2.gz JPAUUSUPTPZIBT-IVZWLZJFSA-N 1 2 219.288 1.524 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635628368 345902686 /nfs/dbraw/zinc/90/26/86/345902686.db2.gz JPAUUSUPTPZIBT-IVZWLZJFSA-N 1 2 219.288 1.524 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000635637136 345910725 /nfs/dbraw/zinc/91/07/25/345910725.db2.gz HMNAAVFHFUSNKM-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO Cc1cn2ccc(C(=O)NCC(F)F)cc2[nH+]1 ZINC000635633148 345911603 /nfs/dbraw/zinc/91/16/03/345911603.db2.gz CPZRNKTVAGRTSK-UHFFFAOYSA-N 1 2 239.225 1.638 20 0 BDADLO CNc1cc(NCc2ccccn2)nc[nH+]1 ZINC000087808281 345942042 /nfs/dbraw/zinc/94/20/42/345942042.db2.gz FCASKNCGJLUUND-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO CNc1cc(NCc2ccccn2)[nH+]cn1 ZINC000087808281 345942045 /nfs/dbraw/zinc/94/20/45/345942045.db2.gz FCASKNCGJLUUND-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@H](C)CCO)cc2[nH+]1 ZINC000635693670 345978873 /nfs/dbraw/zinc/97/88/73/345978873.db2.gz AXZKYMAMZNJSQS-SECBINFHSA-N 1 2 247.298 1.143 20 0 BDADLO COC(=O)C(C)(C)CSCCn1cc[nH+]c1 ZINC000601089672 346018881 /nfs/dbraw/zinc/01/88/81/346018881.db2.gz XALQXBGWSWYKPM-UHFFFAOYSA-N 1 2 242.344 1.816 20 0 BDADLO C[C@H]1COCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635719728 346029749 /nfs/dbraw/zinc/02/97/49/346029749.db2.gz NIPVULWCULHYGN-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO C[C@H]1COCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635719728 346029751 /nfs/dbraw/zinc/02/97/51/346029751.db2.gz NIPVULWCULHYGN-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC000635726240 346037059 /nfs/dbraw/zinc/03/70/59/346037059.db2.gz AADCQJWLICIZGQ-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC000635726240 346037060 /nfs/dbraw/zinc/03/70/60/346037060.db2.gz AADCQJWLICIZGQ-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@H]3CCOC3)cc2[nH+]1 ZINC000635726656 346039212 /nfs/dbraw/zinc/03/92/12/346039212.db2.gz CZKIIZJCPYDMCD-NSHDSACASA-N 1 2 245.282 1.161 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cs1 ZINC000635728177 346039275 /nfs/dbraw/zinc/03/92/75/346039275.db2.gz AMIYWVIINVKDFO-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC000635728177 346039276 /nfs/dbraw/zinc/03/92/76/346039276.db2.gz AMIYWVIINVKDFO-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)C2CCC2)[nH+]1 ZINC000635735822 346044664 /nfs/dbraw/zinc/04/46/64/346044664.db2.gz KRAVIZDONZEKHZ-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO CCc1c[nH]c(CC(=O)N2COCC2(C)C)[nH+]1 ZINC000635896294 346105152 /nfs/dbraw/zinc/10/51/52/346105152.db2.gz SOQZBXHMDGOYNW-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1cn[nH]c1 ZINC000586767741 346074906 /nfs/dbraw/zinc/07/49/06/346074906.db2.gz WMMDCRWYBSODFI-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1cn[nH]c1 ZINC000586767741 346074908 /nfs/dbraw/zinc/07/49/08/346074908.db2.gz WMMDCRWYBSODFI-LLVKDONJSA-N 1 2 239.319 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H]3CCC[C@@H]32)[nH+]1 ZINC000635823810 346078728 /nfs/dbraw/zinc/07/87/28/346078728.db2.gz VQBWYYCKQGOLAZ-PWSUYJOCSA-N 1 2 247.342 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)[C@@H](C)OC)[nH+]1 ZINC000635840290 346082904 /nfs/dbraw/zinc/08/29/04/346082904.db2.gz CMPWQFMIXLFQPS-DTWKUNHWSA-N 1 2 239.319 1.054 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCO1 ZINC000635849990 346090129 /nfs/dbraw/zinc/09/01/29/346090129.db2.gz IQEZCILBLNDHBS-RKDXNWHRSA-N 1 2 221.260 1.067 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCO1 ZINC000635849990 346090132 /nfs/dbraw/zinc/09/01/32/346090132.db2.gz IQEZCILBLNDHBS-RKDXNWHRSA-N 1 2 221.260 1.067 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC2(C)CC2)[nH+]1 ZINC000635874204 346094745 /nfs/dbraw/zinc/09/47/45/346094745.db2.gz FDAUIXRTEXNRGK-UHFFFAOYSA-N 1 2 235.331 1.821 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000051838900 346095188 /nfs/dbraw/zinc/09/51/88/346095188.db2.gz GGWQMZLHLFFIBL-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000051838900 346095190 /nfs/dbraw/zinc/09/51/90/346095190.db2.gz GGWQMZLHLFFIBL-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C)=C[C@H](C)C2)[nH+]1 ZINC000635889142 346098938 /nfs/dbraw/zinc/09/89/38/346098938.db2.gz UNQOYQMPKMIVOS-JTQLQIEISA-N 1 2 247.342 1.939 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)(F)F ZINC000635933537 346113540 /nfs/dbraw/zinc/11/35/40/346113540.db2.gz RPQYEKANWDHHEK-RRKCRQDMSA-N 1 2 247.220 1.580 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)(F)F ZINC000635933537 346113543 /nfs/dbraw/zinc/11/35/43/346113543.db2.gz RPQYEKANWDHHEK-RRKCRQDMSA-N 1 2 247.220 1.580 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)[C@H](C)OC)[nH+]1 ZINC000635945062 346118610 /nfs/dbraw/zinc/11/86/10/346118610.db2.gz CMPWQFMIXLFQPS-BDAKNGLRSA-N 1 2 239.319 1.054 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635950948 346121272 /nfs/dbraw/zinc/12/12/72/346121272.db2.gz QUPRUGJOZCYSGA-NXEZZACHSA-N 1 2 233.315 1.772 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635950948 346121275 /nfs/dbraw/zinc/12/12/75/346121275.db2.gz QUPRUGJOZCYSGA-NXEZZACHSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000419001119 192096976 /nfs/dbraw/zinc/09/69/76/192096976.db2.gz PAIARTJEWARNSV-SWZMTVOYSA-N 1 2 229.283 1.377 20 0 BDADLO CO[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635965918 346125041 /nfs/dbraw/zinc/12/50/41/346125041.db2.gz GQPHCRBJVHXXAH-CKYFFXLPSA-N 1 2 249.314 1.054 20 0 BDADLO CO[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635965918 346125044 /nfs/dbraw/zinc/12/50/44/346125044.db2.gz GQPHCRBJVHXXAH-CKYFFXLPSA-N 1 2 249.314 1.054 20 0 BDADLO CCn1ccnc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636029883 346164248 /nfs/dbraw/zinc/16/42/48/346164248.db2.gz OZCMUWYQMROTBO-RKDXNWHRSA-N 1 2 245.286 1.368 20 0 BDADLO CCn1ccnc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636029883 346164250 /nfs/dbraw/zinc/16/42/50/346164250.db2.gz OZCMUWYQMROTBO-RKDXNWHRSA-N 1 2 245.286 1.368 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635997683 346149627 /nfs/dbraw/zinc/14/96/27/346149627.db2.gz GPCWPIOOEVBYLA-NNYUYHANSA-N 1 2 247.342 1.922 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635997683 346149629 /nfs/dbraw/zinc/14/96/29/346149629.db2.gz GPCWPIOOEVBYLA-NNYUYHANSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1nc[nH]c1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000635999967 346150987 /nfs/dbraw/zinc/15/09/87/346150987.db2.gz XMCBQYXRZFLYBL-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1CS2 ZINC000636021596 346159957 /nfs/dbraw/zinc/15/99/57/346159957.db2.gz PZVZYAWLEGVUEU-AXTSPUMRSA-N 1 2 249.339 1.230 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1CS2 ZINC000636021596 346159961 /nfs/dbraw/zinc/15/99/61/346159961.db2.gz PZVZYAWLEGVUEU-AXTSPUMRSA-N 1 2 249.339 1.230 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)o1 ZINC000628241766 346201058 /nfs/dbraw/zinc/20/10/58/346201058.db2.gz GNLLDQPGZPICNO-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)o1 ZINC000628241766 346201061 /nfs/dbraw/zinc/20/10/61/346201061.db2.gz GNLLDQPGZPICNO-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO CO[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[C@@H]1C ZINC000628244734 346208931 /nfs/dbraw/zinc/20/89/31/346208931.db2.gz UDMNUIUBTAVNRA-CABZTGNLSA-N 1 2 237.347 1.883 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cnc(C)o2)[nH]1 ZINC000628231175 346182981 /nfs/dbraw/zinc/18/29/81/346182981.db2.gz HLGWAEFVHRKGFE-ZETCQYMHSA-N 1 2 235.291 1.514 20 0 BDADLO CCc1cc(NCCCc2cnn(C)c2)nc[nH+]1 ZINC000603391289 349943871 /nfs/dbraw/zinc/94/38/71/349943871.db2.gz XSNHDBDHEMWWHV-UHFFFAOYSA-N 1 2 245.330 1.239 20 0 BDADLO CCc1cc(N[C@H]2CC(=O)N(C(C)C)C2)nc[nH+]1 ZINC000603390695 349943957 /nfs/dbraw/zinc/94/39/57/349943957.db2.gz YSJFZNLIUUCQSG-NSHDSACASA-N 1 2 248.330 1.460 20 0 BDADLO c1nc(C[NH+]2CC([C@H]3CCOC3)C2)co1 ZINC000684414829 488309678 /nfs/dbraw/zinc/30/96/78/488309678.db2.gz VAXHCCHHNURYSO-VIFPVBQESA-N 1 2 208.261 1.143 20 0 BDADLO COCc1cc(C[NH2+]Cc2ncccc2O)no1 ZINC000641751458 362680241 /nfs/dbraw/zinc/68/02/41/362680241.db2.gz YBHJPWKWDMATPJ-UHFFFAOYSA-N 1 2 249.270 1.211 20 0 BDADLO Cc1cc(NC(=O)NC2CCC2)c(C)c[nH+]1 ZINC000534325435 323116659 /nfs/dbraw/zinc/11/66/59/323116659.db2.gz DGSCSHOIRFNGNG-UHFFFAOYSA-N 1 2 219.288 1.794 20 0 BDADLO Nc1cnccc1C[NH2+][C@H]1CCCC1(F)F ZINC000641755139 362683341 /nfs/dbraw/zinc/68/33/41/362683341.db2.gz WFCBHDZUGDIWNJ-JTQLQIEISA-N 1 2 227.258 1.941 20 0 BDADLO Cc1[nH+]cc(CNc2cccc3[nH]nnc32)n1C ZINC000641757782 362686444 /nfs/dbraw/zinc/68/64/44/362686444.db2.gz DKOVBUAZKKXYHD-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO CC(C)n1ccnc1CNc1cc(CO)cc[nH+]1 ZINC000641762290 362697311 /nfs/dbraw/zinc/69/73/11/362697311.db2.gz KGSQHHRQDQWTFX-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000636223598 346359468 /nfs/dbraw/zinc/35/94/68/346359468.db2.gz FMFWBTJSJKVZIP-NXEZZACHSA-N 1 2 233.315 1.383 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636253505 346369840 /nfs/dbraw/zinc/36/98/40/346369840.db2.gz LRQVEMRMIBSICL-GHMZBOCLSA-N 1 2 231.299 1.596 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636253505 346369844 /nfs/dbraw/zinc/36/98/44/346369844.db2.gz LRQVEMRMIBSICL-GHMZBOCLSA-N 1 2 231.299 1.596 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636285443 346377506 /nfs/dbraw/zinc/37/75/06/346377506.db2.gz FZEQTSGAZWYKKB-KHVQUVQLSA-N 1 2 205.261 1.206 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636285443 346377507 /nfs/dbraw/zinc/37/75/07/346377507.db2.gz FZEQTSGAZWYKKB-KHVQUVQLSA-N 1 2 205.261 1.206 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(N)=O)c1F ZINC000294540523 179063962 /nfs/dbraw/zinc/06/39/62/179063962.db2.gz IQEZOBRIECTFPP-UHFFFAOYSA-N 1 2 210.252 1.051 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(N)=O)c1F ZINC000294540523 179063965 /nfs/dbraw/zinc/06/39/65/179063965.db2.gz IQEZOBRIECTFPP-UHFFFAOYSA-N 1 2 210.252 1.051 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@H](C)c2nnnn2C)c1 ZINC000276438640 179068206 /nfs/dbraw/zinc/06/82/06/179068206.db2.gz ZZQZRXFXCKWBPQ-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@H](C)c2nnnn2C)c1 ZINC000276438640 179068210 /nfs/dbraw/zinc/06/82/10/179068210.db2.gz ZZQZRXFXCKWBPQ-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1[nH]c(CNc2nnn(C)c2C)[nH+]c1C ZINC000641781206 362722362 /nfs/dbraw/zinc/72/23/62/362722362.db2.gz NOEZMOBVVKXRIZ-UHFFFAOYSA-N 1 2 220.280 1.076 20 0 BDADLO CCN(CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000170275678 346412367 /nfs/dbraw/zinc/41/23/67/346412367.db2.gz YIJSSLOVNGEZCK-UHFFFAOYSA-N 1 2 224.308 1.014 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCCn3nccc32)c[nH+]1 ZINC000636378814 346429130 /nfs/dbraw/zinc/42/91/30/346429130.db2.gz PWVPDVASKWWMAR-SECBINFHSA-N 1 2 245.286 1.180 20 0 BDADLO Cc1cccc(CN2CCn3cc[nH+]c3C2)n1 ZINC000336619576 179082722 /nfs/dbraw/zinc/08/27/22/179082722.db2.gz GVTJIWRNNVVELN-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1ccc2[nH+]c(NCc3cnnn3C)[nH]c2c1 ZINC000641795118 362737981 /nfs/dbraw/zinc/73/79/81/362737981.db2.gz SVPOYCDNDMFKOH-UHFFFAOYSA-N 1 2 242.286 1.034 20 0 BDADLO Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798966 362746374 /nfs/dbraw/zinc/74/63/74/362746374.db2.gz RTWNPMNIGWMLHC-IACUBPJLSA-N 1 2 248.374 1.022 20 0 BDADLO Cc1cccc(C[NH2+]Cc2nnn(C)n2)c1C ZINC000362967197 179095429 /nfs/dbraw/zinc/09/54/29/179095429.db2.gz PGYFEDWOJMERQD-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1OC2CCC1CC2 ZINC000636404799 346478413 /nfs/dbraw/zinc/47/84/13/346478413.db2.gz AUQPDZAUJJNUBD-UHFFFAOYSA-N 1 2 235.287 1.427 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225714 488321553 /nfs/dbraw/zinc/32/15/53/488321553.db2.gz RBEPDDAAWAHPSS-GRYCIOLGSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225714 488321556 /nfs/dbraw/zinc/32/15/56/488321556.db2.gz RBEPDDAAWAHPSS-GRYCIOLGSA-N 1 2 244.354 1.827 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC=CCC1 ZINC000636805586 349970872 /nfs/dbraw/zinc/97/08/72/349970872.db2.gz GOCMPVUXZPGBGU-JTQLQIEISA-N 1 2 234.303 1.660 20 0 BDADLO Cc1cc(NC(=O)Cc2ccnn2C)c(C)c[nH+]1 ZINC000580150638 346562576 /nfs/dbraw/zinc/56/25/76/346562576.db2.gz YQJQORYDTOEWNA-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCc1ccccc1F ZINC000186774875 346536480 /nfs/dbraw/zinc/53/64/80/346536480.db2.gz DWHURBFLUPACJO-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO C[C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000186907072 346545619 /nfs/dbraw/zinc/54/56/19/346545619.db2.gz HSYQVZLHBDTUPC-WDEREUQCSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1cccc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000279112832 179127171 /nfs/dbraw/zinc/12/71/71/179127171.db2.gz CDTSZPSVCPGKNT-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCOC(=O)c1ccc(CNCc2[nH]cc[nH+]2)o1 ZINC000589198048 346675471 /nfs/dbraw/zinc/67/54/71/346675471.db2.gz RZCYKWOPXZFFPY-UHFFFAOYSA-N 1 2 249.270 1.469 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000589198048 346675473 /nfs/dbraw/zinc/67/54/73/346675473.db2.gz RZCYKWOPXZFFPY-UHFFFAOYSA-N 1 2 249.270 1.469 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC(F)(F)CC1 ZINC000684517420 488324819 /nfs/dbraw/zinc/32/48/19/488324819.db2.gz IQHBISLQPLHGEB-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC(F)(F)CC1 ZINC000684517420 488324821 /nfs/dbraw/zinc/32/48/21/488324821.db2.gz IQHBISLQPLHGEB-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO CC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(F)F ZINC000580197774 346654634 /nfs/dbraw/zinc/65/46/34/346654634.db2.gz GHNMVEZUOCFYAN-DTWKUNHWSA-N 1 2 245.273 1.994 20 0 BDADLO COC1(CNC(=O)C[NH+]2CC(C)(C)C2)CCC1 ZINC000577166587 365849589 /nfs/dbraw/zinc/84/95/89/365849589.db2.gz BQKIAAMDRBZSLZ-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCCCC(F)(F)F ZINC000152262773 323134343 /nfs/dbraw/zinc/13/43/43/323134343.db2.gz SWJSFUNAYHSYCD-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCCC(F)(F)F ZINC000152262773 323134344 /nfs/dbraw/zinc/13/43/44/323134344.db2.gz SWJSFUNAYHSYCD-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO CC1(C)C[N@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000387849277 347109747 /nfs/dbraw/zinc/10/97/47/347109747.db2.gz IJHLMCDMGDMGON-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO CC1(C)C[N@@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000387849277 347109749 /nfs/dbraw/zinc/10/97/49/347109749.db2.gz IJHLMCDMGDMGON-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000577184010 365865265 /nfs/dbraw/zinc/86/52/65/365865265.db2.gz IEIVHWQJCAZCRL-SECBINFHSA-N 1 2 212.272 1.232 20 0 BDADLO CCn1nncc1C[N@H+]1CCC[C@@H](F)C1 ZINC000577184010 365865272 /nfs/dbraw/zinc/86/52/72/365865272.db2.gz IEIVHWQJCAZCRL-SECBINFHSA-N 1 2 212.272 1.232 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000641827411 362775262 /nfs/dbraw/zinc/77/52/62/362775262.db2.gz BJIHBDJBGHEAAX-KXUCPTDWSA-N 1 2 234.303 1.693 20 0 BDADLO Cc1cccc(OC[C@@H](O)Cn2cc[nH+]c2)c1 ZINC000005612593 179171131 /nfs/dbraw/zinc/17/11/31/179171131.db2.gz ZDKBLENGQSSHFJ-LBPRGKRZSA-N 1 2 232.283 1.631 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@@H](C)OC)no1 ZINC000309985345 347212736 /nfs/dbraw/zinc/21/27/36/347212736.db2.gz YCDSSGNGSHUBIR-MRVPVSSYSA-N 1 2 227.308 1.492 20 0 BDADLO Cc1nc(N2CCO[C@@H](C(F)F)CC2)cc[nH+]1 ZINC000631498978 347185171 /nfs/dbraw/zinc/18/51/71/347185171.db2.gz RITVWFWYZLEDFL-SECBINFHSA-N 1 2 243.257 1.645 20 0 BDADLO Cc1nc(N(C)CC2(O)CCC2)cc[nH+]1 ZINC000353293422 187372773 /nfs/dbraw/zinc/37/27/73/187372773.db2.gz ODZVJDBEJNRBJI-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO CCc1nc(C[N@H+](C)CC2(CO)CC2)cs1 ZINC000186769877 347240462 /nfs/dbraw/zinc/24/04/62/347240462.db2.gz JPHVJYDUQRHKER-UHFFFAOYSA-N 1 2 240.372 1.910 20 0 BDADLO CCc1nc(C[N@@H+](C)CC2(CO)CC2)cs1 ZINC000186769877 347240463 /nfs/dbraw/zinc/24/04/63/347240463.db2.gz JPHVJYDUQRHKER-UHFFFAOYSA-N 1 2 240.372 1.910 20 0 BDADLO CC[N@H+](Cc1ccccc1)[C@H](C)c1nnnn1C ZINC000188578559 347284755 /nfs/dbraw/zinc/28/47/55/347284755.db2.gz SLFFNBXLXJFIMC-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnnn1C ZINC000188578559 347284760 /nfs/dbraw/zinc/28/47/60/347284760.db2.gz SLFFNBXLXJFIMC-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000119735577 347301269 /nfs/dbraw/zinc/30/12/69/347301269.db2.gz SBWLPOPBJMVPIO-MNOVXSKESA-N 1 2 209.293 1.457 20 0 BDADLO COc1ncccc1C[NH2+]Cc1oc(C)nc1C ZINC000311688040 349975655 /nfs/dbraw/zinc/97/56/55/349975655.db2.gz OEDPWTSDUFHADZ-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)[C@@]12C[C@@H]1CCC2 ZINC000627373301 347336052 /nfs/dbraw/zinc/33/60/52/347336052.db2.gz NFZVRMAAEACFJJ-ZANVPECISA-N 1 2 231.299 1.485 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)[C@@]12C[C@@H]1CCC2 ZINC000627373301 347336054 /nfs/dbraw/zinc/33/60/54/347336054.db2.gz NFZVRMAAEACFJJ-ZANVPECISA-N 1 2 231.299 1.485 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]c(C)c2)c[nH]1 ZINC000082268971 347322392 /nfs/dbraw/zinc/32/23/92/347322392.db2.gz IGINZVZRLWHIDM-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO COC1CC(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000626226022 347384269 /nfs/dbraw/zinc/38/42/69/347384269.db2.gz XLVQPNQOMMBXOS-UHFFFAOYSA-N 1 2 234.299 1.484 20 0 BDADLO Cc1ccncc1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921009 347450196 /nfs/dbraw/zinc/45/01/96/347450196.db2.gz BHPFXGLMHMSNRJ-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616921346 347450913 /nfs/dbraw/zinc/45/09/13/347450913.db2.gz NSGUAZOBJMFUNF-GXSJLCMTSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616921346 347450917 /nfs/dbraw/zinc/45/09/17/347450917.db2.gz NSGUAZOBJMFUNF-GXSJLCMTSA-N 1 2 237.303 1.183 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)n1cccn1 ZINC000616921500 347450950 /nfs/dbraw/zinc/45/09/50/347450950.db2.gz SEBSKKNFSSSHLT-SNVBAGLBSA-N 1 2 247.302 1.216 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)n1cccn1 ZINC000616921500 347450955 /nfs/dbraw/zinc/45/09/55/347450955.db2.gz SEBSKKNFSSSHLT-SNVBAGLBSA-N 1 2 247.302 1.216 20 0 BDADLO COCc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616923120 347453312 /nfs/dbraw/zinc/45/33/12/347453312.db2.gz VTOHVPTWLLHCAE-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COCc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616923120 347453313 /nfs/dbraw/zinc/45/33/13/347453313.db2.gz VTOHVPTWLLHCAE-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)COC1CCCC1 ZINC000616923579 347453856 /nfs/dbraw/zinc/45/38/56/347453856.db2.gz MSRXKRBHRGTAGR-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)COC1CCCC1 ZINC000616923579 347453861 /nfs/dbraw/zinc/45/38/61/347453861.db2.gz MSRXKRBHRGTAGR-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CC(C)CO[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924430 347455019 /nfs/dbraw/zinc/45/50/19/347455019.db2.gz JHKYIXOKZZCKSE-SNVBAGLBSA-N 1 2 239.319 1.429 20 0 BDADLO CC(C)CO[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924430 347455021 /nfs/dbraw/zinc/45/50/21/347455021.db2.gz JHKYIXOKZZCKSE-SNVBAGLBSA-N 1 2 239.319 1.429 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(C)F ZINC000618413122 347419975 /nfs/dbraw/zinc/41/99/75/347419975.db2.gz SQLYXOIROHZLND-SECBINFHSA-N 1 2 241.310 1.843 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(C)F ZINC000618413122 347419977 /nfs/dbraw/zinc/41/99/77/347419977.db2.gz SQLYXOIROHZLND-SECBINFHSA-N 1 2 241.310 1.843 20 0 BDADLO COc1cc[nH+]c(CN(C)CC(F)F)c1OC ZINC000354875372 187375235 /nfs/dbraw/zinc/37/52/35/187375235.db2.gz HRXBDCOMNQBBSU-UHFFFAOYSA-N 1 2 246.257 1.796 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928589 347494685 /nfs/dbraw/zinc/49/46/85/347494685.db2.gz FZNPKKRJENSSSL-NXEZZACHSA-N 1 2 239.319 1.287 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928589 347494687 /nfs/dbraw/zinc/49/46/87/347494687.db2.gz FZNPKKRJENSSSL-NXEZZACHSA-N 1 2 239.319 1.287 20 0 BDADLO Cc1coc(C)c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928789 347495538 /nfs/dbraw/zinc/49/55/38/347495538.db2.gz MJKRZWFHDMHYAL-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cc1coc(C)c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928789 347495541 /nfs/dbraw/zinc/49/55/41/347495541.db2.gz MJKRZWFHDMHYAL-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1Cc2ccccc21 ZINC000616926018 347458241 /nfs/dbraw/zinc/45/82/41/347458241.db2.gz ZKKCAYSFIPGFGI-ZDUSSCGKSA-N 1 2 241.294 1.708 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1Cc2ccccc21 ZINC000616926018 347458243 /nfs/dbraw/zinc/45/82/43/347458243.db2.gz ZKKCAYSFIPGFGI-ZDUSSCGKSA-N 1 2 241.294 1.708 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC(C)(F)F ZINC000616927341 347458516 /nfs/dbraw/zinc/45/85/16/347458516.db2.gz FTTGGOPUISHACU-UHFFFAOYSA-N 1 2 217.219 1.413 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC(C)(F)F ZINC000616927341 347458519 /nfs/dbraw/zinc/45/85/19/347458519.db2.gz FTTGGOPUISHACU-UHFFFAOYSA-N 1 2 217.219 1.413 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616927010 347459713 /nfs/dbraw/zinc/45/97/13/347459713.db2.gz YEOAUHCQXSZSJV-ZJUUUORDSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616927010 347459715 /nfs/dbraw/zinc/45/97/15/347459715.db2.gz YEOAUHCQXSZSJV-ZJUUUORDSA-N 1 2 221.304 1.804 20 0 BDADLO CC(C)(C)OC(=O)CN1CCn2c[nH+]cc2C1 ZINC000590599017 347479843 /nfs/dbraw/zinc/47/98/43/347479843.db2.gz CYCFKJCCGQMODB-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@H](SC)C2)n1 ZINC000590612646 347481987 /nfs/dbraw/zinc/48/19/87/347481987.db2.gz ZTJXXOOPBMWBLK-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@H](SC)C2)n1 ZINC000590612646 347481992 /nfs/dbraw/zinc/48/19/92/347481992.db2.gz ZTJXXOOPBMWBLK-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO O=C(NCC1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636588726 347529345 /nfs/dbraw/zinc/52/93/45/347529345.db2.gz MCUZIDPLEOWECC-LLVKDONJSA-N 1 2 248.330 1.297 20 0 BDADLO CCc1noc(C[N@H+](C)CCCOC(C)C)n1 ZINC000590818708 347568691 /nfs/dbraw/zinc/56/86/91/347568691.db2.gz FTBONTQMPFETEG-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCc1noc(C[N@@H+](C)CCCOC(C)C)n1 ZINC000590818708 347568692 /nfs/dbraw/zinc/56/86/92/347568692.db2.gz FTBONTQMPFETEG-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccccc1C ZINC000266966571 179259341 /nfs/dbraw/zinc/25/93/41/179259341.db2.gz JTMRYXVBZDUYMY-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CSC[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000591147436 347621581 /nfs/dbraw/zinc/62/15/81/347621581.db2.gz AHTDGDJNGDDQKK-SSDOTTSWSA-N 1 2 240.332 1.444 20 0 BDADLO CSC[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000591147436 347621583 /nfs/dbraw/zinc/62/15/83/347621583.db2.gz AHTDGDJNGDDQKK-SSDOTTSWSA-N 1 2 240.332 1.444 20 0 BDADLO O=C(c1cocn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591202938 347630207 /nfs/dbraw/zinc/63/02/07/347630207.db2.gz WCUFNVBRFXNCPN-JTQLQIEISA-N 1 2 246.270 1.348 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000591201750 347630240 /nfs/dbraw/zinc/63/02/40/347630240.db2.gz UIDUUWYTWICUAB-NXEZZACHSA-N 1 2 207.277 1.188 20 0 BDADLO CC(C)c1nc(N(C)CC(C)(C)O)cc[nH+]1 ZINC000114710217 187379901 /nfs/dbraw/zinc/37/99/01/187379901.db2.gz GPTHWDZSNLZPKJ-UHFFFAOYSA-N 1 2 223.320 1.807 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000591363803 347654225 /nfs/dbraw/zinc/65/42/25/347654225.db2.gz SBNFJQKSQWPLMU-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1cc(N2CC[C@@H]3OCC[C@@H]3C2)nc[nH+]1 ZINC000577276744 365913286 /nfs/dbraw/zinc/91/32/86/365913286.db2.gz BKYCRYYUXOAVKF-MNOVXSKESA-N 1 2 219.288 1.400 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cncc(F)c1 ZINC000565313584 347775422 /nfs/dbraw/zinc/77/54/22/347775422.db2.gz HXSQGXBGUQLMBH-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cncc(F)c1 ZINC000565313584 347775425 /nfs/dbraw/zinc/77/54/25/347775425.db2.gz HXSQGXBGUQLMBH-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO CC[N@H+](CCSC)Cc1csnn1 ZINC000592201979 347753681 /nfs/dbraw/zinc/75/36/81/347753681.db2.gz LZZTTWISSCBEMO-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CC[N@@H+](CCSC)Cc1csnn1 ZINC000592201979 347753683 /nfs/dbraw/zinc/75/36/83/347753683.db2.gz LZZTTWISSCBEMO-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CC[N@H+](CCSC)Cc1nnc(C)[nH]1 ZINC000592202475 347754494 /nfs/dbraw/zinc/75/44/94/347754494.db2.gz NHRFPVMJIRZBCF-UHFFFAOYSA-N 1 2 214.338 1.298 20 0 BDADLO CC[N@@H+](CCSC)Cc1nnc(C)[nH]1 ZINC000592202475 347754497 /nfs/dbraw/zinc/75/44/97/347754497.db2.gz NHRFPVMJIRZBCF-UHFFFAOYSA-N 1 2 214.338 1.298 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC000592524810 347795116 /nfs/dbraw/zinc/79/51/16/347795116.db2.gz DMUXJQLAYJHJBY-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000577295555 365920588 /nfs/dbraw/zinc/92/05/88/365920588.db2.gz SFEZYNSEDFUUHX-JIMOISOXSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000577295555 365920595 /nfs/dbraw/zinc/92/05/95/365920595.db2.gz SFEZYNSEDFUUHX-JIMOISOXSA-N 1 2 247.342 1.893 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000592515067 347793305 /nfs/dbraw/zinc/79/33/05/347793305.db2.gz NDDLPYBGUGHYPL-GUBZILKMSA-N 1 2 215.293 1.094 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)s1 ZINC000593102510 347858960 /nfs/dbraw/zinc/85/89/60/347858960.db2.gz SQIUUWVRDOEORM-KPCOEVGBSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)s1 ZINC000593102510 347858962 /nfs/dbraw/zinc/85/89/62/347858962.db2.gz SQIUUWVRDOEORM-KPCOEVGBSA-N 1 2 242.369 1.157 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000593052557 347852775 /nfs/dbraw/zinc/85/27/75/347852775.db2.gz JFUJGBQKWSMGAJ-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000593052557 347852777 /nfs/dbraw/zinc/85/27/77/347852777.db2.gz JFUJGBQKWSMGAJ-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC000593094984 347853710 /nfs/dbraw/zinc/85/37/10/347853710.db2.gz MVOJEYOOBJDTOL-XMZIXOGTSA-N 1 2 239.315 1.531 20 0 BDADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC000593094984 347853713 /nfs/dbraw/zinc/85/37/13/347853713.db2.gz MVOJEYOOBJDTOL-XMZIXOGTSA-N 1 2 239.315 1.531 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)nc1 ZINC000593099018 347855828 /nfs/dbraw/zinc/85/58/28/347855828.db2.gz GUNVEEZLASMZGM-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)nc1 ZINC000593099018 347855830 /nfs/dbraw/zinc/85/58/30/347855830.db2.gz GUNVEEZLASMZGM-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[S@]1=O ZINC000361318768 187382042 /nfs/dbraw/zinc/38/20/42/187382042.db2.gz PIPQVSVUQYMSHP-LSCFUAHRSA-N 1 2 249.379 1.995 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[S@]1=O ZINC000361318768 187382044 /nfs/dbraw/zinc/38/20/44/187382044.db2.gz PIPQVSVUQYMSHP-LSCFUAHRSA-N 1 2 249.379 1.995 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027728 347992148 /nfs/dbraw/zinc/99/21/48/347992148.db2.gz ZCPUGHOPILZTBO-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027728 347992150 /nfs/dbraw/zinc/99/21/50/347992150.db2.gz ZCPUGHOPILZTBO-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO CC(=O)CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000369006005 187385054 /nfs/dbraw/zinc/38/50/54/187385054.db2.gz XTZBXRFSXUYUHF-NSHDSACASA-N 1 2 237.303 1.884 20 0 BDADLO CC(=O)CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000369006005 187385056 /nfs/dbraw/zinc/38/50/56/187385056.db2.gz XTZBXRFSXUYUHF-NSHDSACASA-N 1 2 237.303 1.884 20 0 BDADLO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCCO1)C(=O)OC ZINC000594551512 348067592 /nfs/dbraw/zinc/06/75/92/348067592.db2.gz FREQPDQIAFQVDZ-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cccn2cc(CNC(=O)C3CC3)[nH+]c12 ZINC000071435395 179356010 /nfs/dbraw/zinc/35/60/10/179356010.db2.gz DCCNGTNNQRRQMF-UHFFFAOYSA-N 1 2 229.283 1.669 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccoc1)C(=O)OC ZINC000594731347 348113453 /nfs/dbraw/zinc/11/34/53/348113453.db2.gz RLMWIRCHILVJOD-SNVBAGLBSA-N 1 2 211.261 1.363 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000594914788 348135216 /nfs/dbraw/zinc/13/52/16/348135216.db2.gz LJAAIVHSXDYRCC-FBIMIBRVSA-N 1 2 237.303 1.005 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1c[nH+]cc(C)c1 ZINC000594948632 348146670 /nfs/dbraw/zinc/14/66/70/348146670.db2.gz ARGODFLKJFMHKP-MVWJERBFSA-N 1 2 234.299 2.000 20 0 BDADLO CC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594949435 348147438 /nfs/dbraw/zinc/14/74/38/348147438.db2.gz DENGHZZYWJWKKL-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO CC(C)=CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374354280 187387751 /nfs/dbraw/zinc/38/77/51/187387751.db2.gz DVKLXIQCQPIJCM-LLVKDONJSA-N 1 2 233.315 1.702 20 0 BDADLO Cc1cccnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290950699 179361872 /nfs/dbraw/zinc/36/18/72/179361872.db2.gz PXEXUUIFMXLKTN-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO CCSC1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000594987586 348167320 /nfs/dbraw/zinc/16/73/20/348167320.db2.gz YYURBDNKXCFVSP-UHFFFAOYSA-N 1 2 211.334 1.785 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000121778605 187386881 /nfs/dbraw/zinc/38/68/81/187386881.db2.gz SSDFPQKFRGCJLY-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC(C)OC(=O)[C@@H](C)N(C)Cc1cn(C)c[nH+]1 ZINC000595347076 348236179 /nfs/dbraw/zinc/23/61/79/348236179.db2.gz JSCGRKQHIHAJHJ-SNVBAGLBSA-N 1 2 239.319 1.192 20 0 BDADLO CCC[C@@H](C(=O)OCC)N(C)Cc1c[nH+]c[nH]1 ZINC000595595050 348281873 /nfs/dbraw/zinc/28/18/73/348281873.db2.gz BMQVQSVCWDLPLH-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@@H](C(=O)OCC)N(C)Cc1c[nH]c[nH+]1 ZINC000595595050 348281876 /nfs/dbraw/zinc/28/18/76/348281876.db2.gz BMQVQSVCWDLPLH-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617668 348289642 /nfs/dbraw/zinc/28/96/42/348289642.db2.gz HTBXCCRFNXIXJB-WCQYABFASA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617668 348289643 /nfs/dbraw/zinc/28/96/43/348289643.db2.gz HTBXCCRFNXIXJB-WCQYABFASA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617265 348290017 /nfs/dbraw/zinc/29/00/17/348290017.db2.gz HTBXCCRFNXIXJB-DGCLKSJQSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617265 348290018 /nfs/dbraw/zinc/29/00/18/348290018.db2.gz HTBXCCRFNXIXJB-DGCLKSJQSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617669 348290089 /nfs/dbraw/zinc/29/00/89/348290089.db2.gz HTBXCCRFNXIXJB-YPMHNXCESA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617669 348290090 /nfs/dbraw/zinc/29/00/90/348290090.db2.gz HTBXCCRFNXIXJB-YPMHNXCESA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cccc(C)n1 ZINC000595674987 348310179 /nfs/dbraw/zinc/31/01/79/348310179.db2.gz PMNCFTSVGCVPSK-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cccc(C)n1 ZINC000595674987 348310181 /nfs/dbraw/zinc/31/01/81/348310181.db2.gz PMNCFTSVGCVPSK-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO CCC[NH2+][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595734706 348318286 /nfs/dbraw/zinc/31/82/86/348318286.db2.gz OWSNTVXAPFABLH-LBPRGKRZSA-N 1 2 229.320 1.487 20 0 BDADLO CCN(C(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000122086287 362909299 /nfs/dbraw/zinc/90/92/99/362909299.db2.gz SPUXEXNRLPVLOF-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO CCC[C@H]([NH2+]Cc1c[nH]nn1)C1CCC1 ZINC000398407565 323185507 /nfs/dbraw/zinc/18/55/07/323185507.db2.gz PNOWNKUXWBJMDD-NSHDSACASA-N 1 2 208.309 1.863 20 0 BDADLO CCC[C@H]([NH2+]Cc1cn[nH]n1)C1CCC1 ZINC000398407565 323185508 /nfs/dbraw/zinc/18/55/08/323185508.db2.gz PNOWNKUXWBJMDD-NSHDSACASA-N 1 2 208.309 1.863 20 0 BDADLO CSC[C@@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000595885931 348389126 /nfs/dbraw/zinc/38/91/26/348389126.db2.gz QPRVLUGDLZWGBR-QMMMGPOBSA-N 1 2 247.389 1.002 20 0 BDADLO CSC[C@@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000595885931 348389127 /nfs/dbraw/zinc/38/91/27/348389127.db2.gz QPRVLUGDLZWGBR-QMMMGPOBSA-N 1 2 247.389 1.002 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCC(C)C)c1 ZINC000596056128 348434687 /nfs/dbraw/zinc/43/46/87/348434687.db2.gz QXRZNJGXVVLIHO-UHFFFAOYSA-N 1 2 222.288 1.865 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCCCF)c1 ZINC000596242006 348484473 /nfs/dbraw/zinc/48/44/73/348484473.db2.gz NCKMXXNFLWBNHE-UHFFFAOYSA-N 1 2 240.278 1.381 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC=CCC2)c1 ZINC000596187095 348456940 /nfs/dbraw/zinc/45/69/40/348456940.db2.gz MTIJPNSZPKDOPT-UHFFFAOYSA-N 1 2 232.283 1.563 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCC=C(C)C)c1 ZINC000596206748 348466330 /nfs/dbraw/zinc/46/63/30/348466330.db2.gz JRBJDQMJBYDXPL-UHFFFAOYSA-N 1 2 234.299 1.597 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627373975 348499240 /nfs/dbraw/zinc/49/92/40/348499240.db2.gz GQOIGIBOXBTWMV-ZJUUUORDSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627373975 348499242 /nfs/dbraw/zinc/49/92/42/348499242.db2.gz GQOIGIBOXBTWMV-ZJUUUORDSA-N 1 2 249.314 1.110 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)CSCCF ZINC000597113884 348662544 /nfs/dbraw/zinc/66/25/44/348662544.db2.gz CIQPWDJCZNZWNY-YUMQZZPRSA-N 1 2 223.313 1.229 20 0 BDADLO CCOC(=O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000597601335 348767609 /nfs/dbraw/zinc/76/76/09/348767609.db2.gz ZSBCOMYBWOYFTJ-UHFFFAOYSA-N 1 2 247.254 1.226 20 0 BDADLO COC(=O)CCCN(C)c1cc[nH+]c(C)n1 ZINC000054937399 348847142 /nfs/dbraw/zinc/84/71/42/348847142.db2.gz HRXQSTNQLJXPIS-UHFFFAOYSA-N 1 2 223.276 1.174 20 0 BDADLO CSC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000598464115 348978490 /nfs/dbraw/zinc/97/84/90/348978490.db2.gz GEOJZOOJLNRBKZ-QMMMGPOBSA-N 1 2 239.344 1.493 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1cn[nH]c1C ZINC000628301057 349002056 /nfs/dbraw/zinc/00/20/56/349002056.db2.gz GVEVRESZSARNTL-SECBINFHSA-N 1 2 211.309 1.311 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1cn[nH]c1C ZINC000628301057 349002059 /nfs/dbraw/zinc/00/20/59/349002059.db2.gz GVEVRESZSARNTL-SECBINFHSA-N 1 2 211.309 1.311 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C1CC1)CC2 ZINC000623511042 362936467 /nfs/dbraw/zinc/93/64/67/362936467.db2.gz WRQKWGAVIQOOQK-CMPLNLGQSA-N 1 2 247.342 1.669 20 0 BDADLO Oc1cc(F)cc(CNc2c[nH]c[nH+]2)c1 ZINC000308911931 349059502 /nfs/dbraw/zinc/05/95/02/349059502.db2.gz XYBFKHMLQAEKNT-UHFFFAOYSA-N 1 2 207.208 1.867 20 0 BDADLO CS[C@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944250 349062690 /nfs/dbraw/zinc/06/26/90/349062690.db2.gz LAEVZAMJEYTHAS-RKDXNWHRSA-N 1 2 239.344 1.066 20 0 BDADLO CO[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000627375324 349118171 /nfs/dbraw/zinc/11/81/71/349118171.db2.gz RCWVVZKLKUELAH-LBPRGKRZSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000627375324 349118175 /nfs/dbraw/zinc/11/81/75/349118175.db2.gz RCWVVZKLKUELAH-LBPRGKRZSA-N 1 2 249.314 1.110 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCC(F)(F)C1 ZINC000652746006 538026878 /nfs/dbraw/zinc/02/68/78/538026878.db2.gz SSWGPFWUQBKIGE-UHFFFAOYSA-N 1 2 243.257 1.220 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](OCC)C1CC1 ZINC000599281428 349139575 /nfs/dbraw/zinc/13/95/75/349139575.db2.gz TYYCBIMKTTULAP-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO COC[C@@](C)([NH2+]CC1CC(C)(C)C1)C(=O)OC ZINC000599341278 349153235 /nfs/dbraw/zinc/15/32/35/349153235.db2.gz IESCSNZTGKHPTF-CYBMUJFWSA-N 1 2 243.347 1.590 20 0 BDADLO CCO[C@@H](C[NH2+][C@](C)(CC)C(=O)OC)C1CC1 ZINC000599351567 349155587 /nfs/dbraw/zinc/15/55/87/349155587.db2.gz GOQSYBAZCNQDLF-WCQYABFASA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626190 349230367 /nfs/dbraw/zinc/23/03/67/349230367.db2.gz PEOKZIOFOAQUBG-HHKYUTTNSA-N 1 2 229.320 1.340 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649238 349233580 /nfs/dbraw/zinc/23/35/80/349233580.db2.gz ZEAAWGPZOPCSGP-SECBINFHSA-N 1 2 235.283 1.312 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649238 349233582 /nfs/dbraw/zinc/23/35/82/349233582.db2.gz ZEAAWGPZOPCSGP-SECBINFHSA-N 1 2 235.283 1.312 20 0 BDADLO COC(=O)c1cccc(COCc2[nH]cc[nH+]2)n1 ZINC000583462760 349205435 /nfs/dbraw/zinc/20/54/35/349205435.db2.gz WPGZHVYRGYJQMK-UHFFFAOYSA-N 1 2 247.254 1.308 20 0 BDADLO COC(=O)c1occc1C[NH2+]Cc1cccnc1 ZINC000035223224 358455402 /nfs/dbraw/zinc/45/54/02/358455402.db2.gz WEZCHVJQZUYDAU-UHFFFAOYSA-N 1 2 246.266 1.751 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+](C)Cc1cn[nH]c1 ZINC000085825617 349277975 /nfs/dbraw/zinc/27/79/75/349277975.db2.gz FZIZJXSZSJKMEG-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825617 349277981 /nfs/dbraw/zinc/27/79/81/349277981.db2.gz FZIZJXSZSJKMEG-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO Cc1[nH]c(CN2CC(C)(C)[C@@H]3COC[C@@H]32)[nH+]c1C ZINC000628304210 349281364 /nfs/dbraw/zinc/28/13/64/349281364.db2.gz KZUNKFKFHRCXHI-NEPJUHHUSA-N 1 2 249.358 1.883 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCCO2)c[nH+]1 ZINC000272180495 179887800 /nfs/dbraw/zinc/88/78/00/179887800.db2.gz YXNVMGYXURVJMW-KWQFWETISA-N 1 2 237.303 1.406 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c[nH+]1 ZINC000264645257 179888020 /nfs/dbraw/zinc/88/80/20/179888020.db2.gz FRVGTDNULQQTIC-QMMMGPOBSA-N 1 2 230.271 1.604 20 0 BDADLO CN(C)C(=O)OC1CCN(c2cccc[nH+]2)CC1 ZINC000495796050 349379802 /nfs/dbraw/zinc/37/98/02/349379802.db2.gz SFNOVQYRQIBSDN-UHFFFAOYSA-N 1 2 249.314 1.749 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000051736237 350080715 /nfs/dbraw/zinc/08/07/15/350080715.db2.gz OBFGEDLMGZVMPT-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000051736237 350080716 /nfs/dbraw/zinc/08/07/16/350080716.db2.gz OBFGEDLMGZVMPT-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CC[C@H](OC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884446 350048473 /nfs/dbraw/zinc/04/84/73/350048473.db2.gz ZQAQGGJAFKAWLW-JTQLQIEISA-N 1 2 233.271 1.698 20 0 BDADLO CC1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000636898902 350055117 /nfs/dbraw/zinc/05/51/17/350055117.db2.gz XMFPLKLCKNKNHR-SNVBAGLBSA-N 1 2 248.330 1.297 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](CO)[C@@H]2C)[nH+]1 ZINC000362685033 180004146 /nfs/dbraw/zinc/00/41/46/180004146.db2.gz QWLHLVIGAQWYTF-WPRPVWTQSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C)n2)o1 ZINC000309171518 350115031 /nfs/dbraw/zinc/11/50/31/350115031.db2.gz LLVBKERTUJVDGC-UHFFFAOYSA-N 1 2 205.221 1.089 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccno3)C2)n[nH]1 ZINC000268445436 180042467 /nfs/dbraw/zinc/04/24/67/180042467.db2.gz HWXTZLXNWABSAV-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccno3)C2)n[nH]1 ZINC000268445436 180042468 /nfs/dbraw/zinc/04/24/68/180042468.db2.gz HWXTZLXNWABSAV-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2CCCO)no1 ZINC000370746108 180043774 /nfs/dbraw/zinc/04/37/74/180043774.db2.gz YKUYVOFIFXTONT-JTQLQIEISA-N 1 2 225.292 1.287 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2CCCO)no1 ZINC000370746108 180043777 /nfs/dbraw/zinc/04/37/77/180043777.db2.gz YKUYVOFIFXTONT-JTQLQIEISA-N 1 2 225.292 1.287 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)no1 ZINC000329177123 180044624 /nfs/dbraw/zinc/04/46/24/180044624.db2.gz CDNYGAOBNVQDHN-NEPJUHHUSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc([C@@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)no1 ZINC000329177123 180044625 /nfs/dbraw/zinc/04/46/25/180044625.db2.gz CDNYGAOBNVQDHN-NEPJUHHUSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCO2)no1 ZINC000329182400 180046071 /nfs/dbraw/zinc/04/60/71/180046071.db2.gz PAJBJSHANQURGJ-QWRGUYRKSA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCCO2)no1 ZINC000329182400 180046073 /nfs/dbraw/zinc/04/60/73/180046073.db2.gz PAJBJSHANQURGJ-QWRGUYRKSA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCOC[C@H](C)C2)no1 ZINC000329819444 180046710 /nfs/dbraw/zinc/04/67/10/180046710.db2.gz GOBZSRIYYQTORS-BDAKNGLRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCOC[C@H](C)C2)no1 ZINC000329819444 180046712 /nfs/dbraw/zinc/04/67/12/180046712.db2.gz GOBZSRIYYQTORS-BDAKNGLRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)no1 ZINC000329819446 180046830 /nfs/dbraw/zinc/04/68/30/180046830.db2.gz GOBZSRIYYQTORS-IUCAKERBSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCOC[C@@H](C)C2)no1 ZINC000329819446 180046832 /nfs/dbraw/zinc/04/68/32/180046832.db2.gz GOBZSRIYYQTORS-IUCAKERBSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)no1 ZINC000329177126 180057746 /nfs/dbraw/zinc/05/77/46/180057746.db2.gz CDNYGAOBNVQDHN-VXGBXAGGSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc([C@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)no1 ZINC000329177126 180057748 /nfs/dbraw/zinc/05/77/48/180057748.db2.gz CDNYGAOBNVQDHN-VXGBXAGGSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+]2C[C@H]2CCCO2)no1 ZINC000329182398 180058021 /nfs/dbraw/zinc/05/80/21/180058021.db2.gz PAJBJSHANQURGJ-GHMZBOCLSA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CCCO2)no1 ZINC000329182398 180058022 /nfs/dbraw/zinc/05/80/22/180058022.db2.gz PAJBJSHANQURGJ-GHMZBOCLSA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CCC3CC3)CCO2)no1 ZINC000329717333 180058248 /nfs/dbraw/zinc/05/82/48/180058248.db2.gz XNHXHDAMBFZXJJ-LLVKDONJSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CCC3CC3)CCO2)no1 ZINC000329717333 180058251 /nfs/dbraw/zinc/05/82/51/180058251.db2.gz XNHXHDAMBFZXJJ-LLVKDONJSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cccc(CO)c2)c[nH+]1 ZINC000339290380 180132726 /nfs/dbraw/zinc/13/27/26/180132726.db2.gz NMAZBRUGEGTBJQ-UHFFFAOYSA-N 1 2 245.282 1.140 20 0 BDADLO CC(C)[N@H+](CCCN1CCCC1=O)CC(F)F ZINC000532624012 323278687 /nfs/dbraw/zinc/27/86/87/323278687.db2.gz WRJSQKRATIJFNR-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CC(C)[N@@H+](CCCN1CCCC1=O)CC(F)F ZINC000532624012 323278690 /nfs/dbraw/zinc/27/86/90/323278690.db2.gz WRJSQKRATIJFNR-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@H](C)C1 ZINC000336440362 180119480 /nfs/dbraw/zinc/11/94/80/180119480.db2.gz GRDKPCSHZUVXBO-WCBMZHEXSA-N 1 2 221.304 1.771 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)F ZINC000356703310 180119832 /nfs/dbraw/zinc/11/98/32/180119832.db2.gz IXEVJYVXGVNLFI-ZETCQYMHSA-N 1 2 213.256 1.125 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC[C@H](C)F ZINC000356703310 180119835 /nfs/dbraw/zinc/11/98/35/180119835.db2.gz IXEVJYVXGVNLFI-ZETCQYMHSA-N 1 2 213.256 1.125 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]12CCOC2 ZINC000357323714 180120379 /nfs/dbraw/zinc/12/03/79/180120379.db2.gz ZPUNXJKEMNIBES-ZDUSSCGKSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccncc1F ZINC000335712923 180121270 /nfs/dbraw/zinc/12/12/70/180121270.db2.gz GFDGEYXFEHJCJS-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ncc[nH]2)s1 ZINC000049715671 180154249 /nfs/dbraw/zinc/15/42/49/180154249.db2.gz QTTQFHVLIAPEBE-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC1=CCCOC1 ZINC000668569371 490369177 /nfs/dbraw/zinc/36/91/77/490369177.db2.gz WSCNWNVGEXDOQV-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC1=CCCOC1 ZINC000668569371 490369186 /nfs/dbraw/zinc/36/91/86/490369186.db2.gz WSCNWNVGEXDOQV-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000124815699 191079735 /nfs/dbraw/zinc/07/97/35/191079735.db2.gz LBLZMTHAGAIGOT-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000124815699 191079737 /nfs/dbraw/zinc/07/97/37/191079737.db2.gz LBLZMTHAGAIGOT-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO Cc1nc(N2CC[C@@](O)(C(F)(F)F)C2)cc[nH+]1 ZINC000078299935 180194108 /nfs/dbraw/zinc/19/41/08/180194108.db2.gz BMUYVXLJMBFFRP-VIFPVBQESA-N 1 2 247.220 1.289 20 0 BDADLO Cc1nc(N2CC[C@H](C)[S@@](=O)CC2)cc[nH+]1 ZINC000276986276 180194610 /nfs/dbraw/zinc/19/46/10/180194610.db2.gz GEQNMYHTWHSDAF-FVMDXXJSSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1nc(N2CCSC[C@@H](C)C2)cc[nH+]1 ZINC000192264507 180195229 /nfs/dbraw/zinc/19/52/29/180195229.db2.gz RXBPTEOALJPFPX-VIFPVBQESA-N 1 2 223.345 1.974 20 0 BDADLO O=C(Nc1cnns1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427493156 191077889 /nfs/dbraw/zinc/07/78/89/191077889.db2.gz RBBDDTLUARGBHG-QMMMGPOBSA-N 1 2 238.316 1.103 20 0 BDADLO O=C(Nc1cnns1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427493156 191077891 /nfs/dbraw/zinc/07/78/91/191077891.db2.gz RBBDDTLUARGBHG-QMMMGPOBSA-N 1 2 238.316 1.103 20 0 BDADLO Cc1nc(NCC2(C)OCCCO2)cc[nH+]1 ZINC000192261726 180197833 /nfs/dbraw/zinc/19/78/33/180197833.db2.gz NXHNZOPRGWGOMT-UHFFFAOYSA-N 1 2 223.276 1.350 20 0 BDADLO Cc1nc(NCCO[C@H]2CCCCO2)cc[nH+]1 ZINC000292232564 180199465 /nfs/dbraw/zinc/19/94/65/180199465.db2.gz FTCVIMTZMQOJSQ-LBPRGKRZSA-N 1 2 237.303 1.740 20 0 BDADLO Cc1nc(NCCc2cccnc2)cc[nH+]1 ZINC000054935917 180200028 /nfs/dbraw/zinc/20/00/28/180200028.db2.gz ZMZWICLGYVGVIV-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO Cc1nc(NC[C@H](CO)C(C)C)cc[nH+]1 ZINC000309084643 180200223 /nfs/dbraw/zinc/20/02/23/180200223.db2.gz VRTAJNSLBATGFD-SNVBAGLBSA-N 1 2 209.293 1.461 20 0 BDADLO Cc1nc(NCCn2cccn2)cc[nH+]1 ZINC000054936150 180200921 /nfs/dbraw/zinc/20/09/21/180200921.db2.gz GZPSUWQBMDMRKO-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO Cc1nc(NC[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000230896506 180201351 /nfs/dbraw/zinc/20/13/51/180201351.db2.gz TXSSNTITNUFIHC-LURJTMIESA-N 1 2 221.182 1.120 20 0 BDADLO Cc1nc(NC[C@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000082997485 180201423 /nfs/dbraw/zinc/20/14/23/180201423.db2.gz MNJCJUCPXFCKAE-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nnsc1CNc1cc[nH+]c(C)n1 ZINC000292184435 180202928 /nfs/dbraw/zinc/20/29/28/180202928.db2.gz FOTUNRDTNRVQPE-UHFFFAOYSA-N 1 2 221.289 1.557 20 0 BDADLO Cc1nc(N[C@@H](C)c2nncn2C)cc[nH+]1 ZINC000054936471 180203691 /nfs/dbraw/zinc/20/36/91/180203691.db2.gz DYNHTMUBUOXWAN-ZETCQYMHSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1nc(NCc2nncn2C2CC2)cc[nH+]1 ZINC000266318941 180203703 /nfs/dbraw/zinc/20/37/03/180203703.db2.gz FJBXWTXZDVAPEF-UHFFFAOYSA-N 1 2 230.275 1.324 20 0 BDADLO Cc1nc(N[C@H](C)c2ncnn2C)cc[nH+]1 ZINC000276925057 180205311 /nfs/dbraw/zinc/20/53/11/180205311.db2.gz PBXIMPNWDPZNCH-SSDOTTSWSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1nc(N[C@H](CCO)c2ccco2)cc[nH+]1 ZINC000184345150 180206016 /nfs/dbraw/zinc/20/60/16/180206016.db2.gz HUNUMOOJYVJTHM-SNVBAGLBSA-N 1 2 233.271 1.914 20 0 BDADLO Cc1nc(N[C@H]2CSC[C@H]2C)cc[nH+]1 ZINC000306592861 180207694 /nfs/dbraw/zinc/20/76/94/180207694.db2.gz IMMOLKRRBGJWBV-APPZFPTMSA-N 1 2 209.318 1.948 20 0 BDADLO Cc1nc(N[C@@H](C)c2cncc(F)c2)cc[nH+]1 ZINC000359092699 180181139 /nfs/dbraw/zinc/18/11/39/180181139.db2.gz GNQYSLOGMZXGMS-QMMMGPOBSA-N 1 2 232.262 1.914 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOCC23CCC3)n1 ZINC000373608033 180184531 /nfs/dbraw/zinc/18/45/31/180184531.db2.gz IFEDFLVIRITURN-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nccc(C[N@H+]2CCOCC23CCC3)n1 ZINC000373608033 180184535 /nfs/dbraw/zinc/18/45/35/180184535.db2.gz IFEDFLVIRITURN-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1ncc[nH]1 ZINC000124715615 490399631 /nfs/dbraw/zinc/39/96/31/490399631.db2.gz NRENBSFUDOPTGW-VIFPVBQESA-N 1 2 217.272 1.966 20 0 BDADLO Cc1ncccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000120284544 180218208 /nfs/dbraw/zinc/21/82/08/180218208.db2.gz IQYBKJFWDJAURX-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1ncccc1C[N@H+](C)CC(=O)NC(C)C ZINC000120284544 180218209 /nfs/dbraw/zinc/21/82/09/180218209.db2.gz IQYBKJFWDJAURX-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1ccnn1C ZINC000352350444 180218294 /nfs/dbraw/zinc/21/82/94/180218294.db2.gz RJMQXUDAVVSDNQ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1ccnn1C ZINC000352350444 180218297 /nfs/dbraw/zinc/21/82/97/180218297.db2.gz RJMQXUDAVVSDNQ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ncccc1NC(=O)CCc1c[nH+]cn1C ZINC000280115778 180223926 /nfs/dbraw/zinc/22/39/26/180223926.db2.gz LODVKFOLHBPXHJ-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CC=CC1 ZINC000637168346 350229415 /nfs/dbraw/zinc/22/94/15/350229415.db2.gz MPRWOGRAOLPSBF-UHFFFAOYSA-N 1 2 233.271 1.172 20 0 BDADLO Cc1nc(C[N@H+](C[C@H]2CCOC2)C2CC2)no1 ZINC000051854231 350230482 /nfs/dbraw/zinc/23/04/82/350230482.db2.gz BYUICEBQZNBAME-SNVBAGLBSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@@H+](C[C@H]2CCOC2)C2CC2)no1 ZINC000051854231 350230486 /nfs/dbraw/zinc/23/04/86/350230486.db2.gz BYUICEBQZNBAME-SNVBAGLBSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nccnc1NCCn1cc[nH+]c1 ZINC000214304731 180277642 /nfs/dbraw/zinc/27/76/42/180277642.db2.gz RKBQYEIXFMCFBW-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)OC)C12CCC2 ZINC000083684683 350293910 /nfs/dbraw/zinc/29/39/10/350293910.db2.gz REXSFZGKCHLRBK-NXEZZACHSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1ncsc1CN(C)Cc1[nH+]ccn1C ZINC000066565213 180313631 /nfs/dbraw/zinc/31/36/31/180313631.db2.gz PTFHGQMCXVCHQD-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncsc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000336579218 180324977 /nfs/dbraw/zinc/32/49/77/180324977.db2.gz RFYDORSRZOICAU-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1ncsc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000336579218 180324980 /nfs/dbraw/zinc/32/49/80/180324980.db2.gz RFYDORSRZOICAU-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@]12C[C@H]1CCC2 ZINC000617213158 350382881 /nfs/dbraw/zinc/38/28/81/350382881.db2.gz DENMUCSUJWOGMO-BXKDBHETSA-N 1 2 219.288 1.401 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000617214300 350384417 /nfs/dbraw/zinc/38/44/17/350384417.db2.gz SYEHVXCWJOQWEN-GWCFXTLKSA-N 1 2 233.315 1.412 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000069862420 350425570 /nfs/dbraw/zinc/42/55/70/350425570.db2.gz IMDWCVVGJHMWKK-GARJFASQSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1nc([C@H](C)Nc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000343938439 538092989 /nfs/dbraw/zinc/09/29/89/538092989.db2.gz IALRUFUUBIPMKG-ZETCQYMHSA-N 1 2 232.291 1.115 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cscn1)C(C)C ZINC000580695754 365960577 /nfs/dbraw/zinc/96/05/77/365960577.db2.gz ZDVAEZGYCCEOKM-SNVBAGLBSA-N 1 2 242.344 1.473 20 0 BDADLO CC[N@H+](Cc1nccn1C)[C@H]1CCOC1 ZINC000336715265 350468119 /nfs/dbraw/zinc/46/81/19/350468119.db2.gz WMGPPSGEYXYSJL-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO CC[N@@H+](Cc1nccn1C)[C@H]1CCOC1 ZINC000336715265 350468123 /nfs/dbraw/zinc/46/81/23/350468123.db2.gz WMGPPSGEYXYSJL-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO CC[N@H+](Cc1cc(C)on1)[C@@H]1CCOC1 ZINC000336717231 350468828 /nfs/dbraw/zinc/46/88/28/350468828.db2.gz XWXSNSZXKOLDBO-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@@H+](Cc1cc(C)on1)[C@@H]1CCOC1 ZINC000336717231 350468832 /nfs/dbraw/zinc/46/88/32/350468832.db2.gz XWXSNSZXKOLDBO-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000428002710 191105520 /nfs/dbraw/zinc/10/55/20/191105520.db2.gz ZEZYMWKEHFKCMY-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)[C@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428001698 191105623 /nfs/dbraw/zinc/10/56/23/191105623.db2.gz RWQNNQZORVTBSR-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000428002712 191105886 /nfs/dbraw/zinc/10/58/86/191105886.db2.gz ZEZYMWKEHFKCMY-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO CCc1cc(N[C@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000300839256 490570386 /nfs/dbraw/zinc/57/03/86/490570386.db2.gz JGSRYHCYZALMNQ-KOLCDFICSA-N 1 2 221.304 1.876 20 0 BDADLO O=C1CC[N@H+](Cc2ccnc(Cl)c2)CCN1 ZINC000060390205 350500985 /nfs/dbraw/zinc/50/09/85/350500985.db2.gz BQZUAZMQOGJZMJ-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2ccnc(Cl)c2)CCN1 ZINC000060390205 350500987 /nfs/dbraw/zinc/50/09/87/350500987.db2.gz BQZUAZMQOGJZMJ-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1O ZINC000138901730 191110210 /nfs/dbraw/zinc/11/02/10/191110210.db2.gz KVYALDGKIBXEQO-VIFPVBQESA-N 1 2 247.298 1.975 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)CC(C)C)[nH+]1 ZINC000443880081 191110466 /nfs/dbraw/zinc/11/04/66/191110466.db2.gz PKRUCOSXLRBSMZ-VIFPVBQESA-N 1 2 237.351 1.514 20 0 BDADLO Cc1nc(N[C@@H](C)CC(C)C)nc(N(C)C)[nH+]1 ZINC000443880081 191110467 /nfs/dbraw/zinc/11/04/67/191110467.db2.gz PKRUCOSXLRBSMZ-VIFPVBQESA-N 1 2 237.351 1.514 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CF ZINC000567914588 350605956 /nfs/dbraw/zinc/60/59/56/350605956.db2.gz YXYHSZAIXAJSGY-MWLCHTKSSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CF ZINC000567914588 350605959 /nfs/dbraw/zinc/60/59/59/350605959.db2.gz YXYHSZAIXAJSGY-MWLCHTKSSA-N 1 2 239.294 1.549 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000606898413 350619943 /nfs/dbraw/zinc/61/99/43/350619943.db2.gz GMCMIYGMOSSEBS-IUCAKERBSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000606898413 350619946 /nfs/dbraw/zinc/61/99/46/350619946.db2.gz GMCMIYGMOSSEBS-IUCAKERBSA-N 1 2 239.237 1.429 20 0 BDADLO OCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606901308 350626716 /nfs/dbraw/zinc/62/67/16/350626716.db2.gz PZIQDRUKRUCJLS-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO OCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606901308 350626720 /nfs/dbraw/zinc/62/67/20/350626720.db2.gz PZIQDRUKRUCJLS-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO CC(C)(O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606900890 350627048 /nfs/dbraw/zinc/62/70/48/350627048.db2.gz QRHRFOAMMGLPOG-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO CC(C)(O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606900890 350627051 /nfs/dbraw/zinc/62/70/51/350627051.db2.gz QRHRFOAMMGLPOG-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO CC(C)OCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902456 350627228 /nfs/dbraw/zinc/62/72/28/350627228.db2.gz ZJQOPQWERXIRAL-SECBINFHSA-N 1 2 241.253 1.675 20 0 BDADLO CC(C)OCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902456 350627230 /nfs/dbraw/zinc/62/72/30/350627230.db2.gz ZJQOPQWERXIRAL-SECBINFHSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1noc(C[N@@H+]2CCSC[C@@H]2C2CC2)n1 ZINC000336307426 180486266 /nfs/dbraw/zinc/48/62/66/180486266.db2.gz DXAWOPVOPOJXPN-SNVBAGLBSA-N 1 2 239.344 1.705 20 0 BDADLO Cc1noc(C[N@H+]2CCSC[C@@H]2C2CC2)n1 ZINC000336307426 180486267 /nfs/dbraw/zinc/48/62/67/180486267.db2.gz DXAWOPVOPOJXPN-SNVBAGLBSA-N 1 2 239.344 1.705 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587852 350697920 /nfs/dbraw/zinc/69/79/20/350697920.db2.gz PVKPSSTZOPDQAS-CMPLNLGQSA-N 1 2 247.310 1.125 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338587852 350697923 /nfs/dbraw/zinc/69/79/23/350697923.db2.gz PVKPSSTZOPDQAS-CMPLNLGQSA-N 1 2 247.310 1.125 20 0 BDADLO CC(C)[C@H](C)[S@](=O)Cc1[nH+]ccn1C ZINC000129316585 187468532 /nfs/dbraw/zinc/46/85/32/187468532.db2.gz ZNEVDQQQNJEFFA-XPTSAGLGSA-N 1 2 214.334 1.713 20 0 BDADLO Cc1[nH]ncc1CNc1cnn(CC[NH+](C)C)c1 ZINC000236993867 350744602 /nfs/dbraw/zinc/74/46/02/350744602.db2.gz YFOGQMFPFVZRRV-UHFFFAOYSA-N 1 2 248.334 1.088 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)[C@@H](C)CO ZINC000339631508 350770471 /nfs/dbraw/zinc/77/04/71/350770471.db2.gz KMHWUTFQXRBPFW-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)[C@@H](C)CO ZINC000339631508 350770474 /nfs/dbraw/zinc/77/04/74/350770474.db2.gz KMHWUTFQXRBPFW-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CN(C)C(=O)C1([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628310679 350804220 /nfs/dbraw/zinc/80/42/20/350804220.db2.gz XKRPZAKUYZXNBN-UHFFFAOYSA-N 1 2 249.314 1.262 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@H]2CCC[C@H]2O)no1 ZINC000246075648 350831956 /nfs/dbraw/zinc/83/19/56/350831956.db2.gz BUCYMKZZMAPWLG-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)no1 ZINC000246075648 350831957 /nfs/dbraw/zinc/83/19/57/350831957.db2.gz BUCYMKZZMAPWLG-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)OC ZINC000336668862 350864943 /nfs/dbraw/zinc/86/49/43/350864943.db2.gz SUKUKQLWOMHIDV-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ccc(C#N)o1 ZINC000397887929 350986072 /nfs/dbraw/zinc/98/60/72/350986072.db2.gz DTTSQDFXTHUKGN-UHFFFAOYSA-N 1 2 217.228 1.738 20 0 BDADLO c1cn(-c2cc(N3C4CCC3CC4)ncn2)c[nH+]1 ZINC000607142813 350943836 /nfs/dbraw/zinc/94/38/36/350943836.db2.gz YAQNYUISHIBRPN-UHFFFAOYSA-N 1 2 241.298 1.794 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442664 350947986 /nfs/dbraw/zinc/94/79/86/350947986.db2.gz YJAGFOPVZHEEJP-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442664 350947990 /nfs/dbraw/zinc/94/79/90/350947990.db2.gz YJAGFOPVZHEEJP-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cccc(F)c1F ZINC000052661310 351065079 /nfs/dbraw/zinc/06/50/79/351065079.db2.gz XZRAKSPLNYJJAG-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(F)c1F ZINC000052661310 351065082 /nfs/dbraw/zinc/06/50/82/351065082.db2.gz XZRAKSPLNYJJAG-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398272870 351023338 /nfs/dbraw/zinc/02/33/38/351023338.db2.gz AROTXFCHUKISMA-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO COCc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398272870 351023343 /nfs/dbraw/zinc/02/33/43/351023343.db2.gz AROTXFCHUKISMA-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cn[nH]n2)cc1 ZINC000398272870 351023347 /nfs/dbraw/zinc/02/33/47/351023347.db2.gz AROTXFCHUKISMA-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CC(C)n1ccnc1C[N@H+](CCCO)C1CC1 ZINC000607153363 351030603 /nfs/dbraw/zinc/03/06/03/351030603.db2.gz KAACLULCTQWCIC-UHFFFAOYSA-N 1 2 237.347 1.811 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](CCCO)C1CC1 ZINC000607153363 351030607 /nfs/dbraw/zinc/03/06/07/351030607.db2.gz KAACLULCTQWCIC-UHFFFAOYSA-N 1 2 237.347 1.811 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)c(C)s1 ZINC000398322568 351034636 /nfs/dbraw/zinc/03/46/36/351034636.db2.gz CQXJQSDQFKKYCI-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1cc(C[NH2+]Cc2c[nH]nn2)c(C)s1 ZINC000398322568 351034638 /nfs/dbraw/zinc/03/46/38/351034638.db2.gz CQXJQSDQFKKYCI-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn[nH]n2)c(C)s1 ZINC000398322568 351034642 /nfs/dbraw/zinc/03/46/42/351034642.db2.gz CQXJQSDQFKKYCI-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000030196297 351065904 /nfs/dbraw/zinc/06/59/04/351065904.db2.gz GCQWUYOISYPTGP-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000030196297 351065908 /nfs/dbraw/zinc/06/59/08/351065908.db2.gz GCQWUYOISYPTGP-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C[C@@H](C)C1 ZINC000398335958 351036925 /nfs/dbraw/zinc/03/69/25/351036925.db2.gz SRFQSFFZDBCCGT-MYJAWHEDSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C[C@@H](C)C1 ZINC000398335958 351036927 /nfs/dbraw/zinc/03/69/27/351036927.db2.gz SRFQSFFZDBCCGT-MYJAWHEDSA-N 1 2 208.309 1.719 20 0 BDADLO CCCNC(=O)C[N@H+](CC)CCC(F)(F)F ZINC000623121908 351052991 /nfs/dbraw/zinc/05/29/91/351052991.db2.gz SIINIXOABFCJOC-UHFFFAOYSA-N 1 2 240.269 1.787 20 0 BDADLO CCCNC(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000623121908 351052994 /nfs/dbraw/zinc/05/29/94/351052994.db2.gz SIINIXOABFCJOC-UHFFFAOYSA-N 1 2 240.269 1.787 20 0 BDADLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000052635249 351062809 /nfs/dbraw/zinc/06/28/09/351062809.db2.gz NJOSKIFAOWHBSV-GFCCVEGCSA-N 1 2 242.363 1.353 20 0 BDADLO C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000623578657 363011165 /nfs/dbraw/zinc/01/11/65/363011165.db2.gz RGWOWOATAJSKQX-YUMQZZPRSA-N 1 2 212.322 1.178 20 0 BDADLO C[C@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000623578657 363011168 /nfs/dbraw/zinc/01/11/68/363011168.db2.gz RGWOWOATAJSKQX-YUMQZZPRSA-N 1 2 212.322 1.178 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)OCC23CCC3)[nH+]1 ZINC000628325248 351251115 /nfs/dbraw/zinc/25/11/15/351251115.db2.gz DNMNIUJZTUGTAU-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cn1cccn1 ZINC000265210962 351265319 /nfs/dbraw/zinc/26/53/19/351265319.db2.gz LPOQZIZTBUUANL-UHFFFAOYSA-N 1 2 230.271 1.479 20 0 BDADLO COCCC1CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628337905 351280998 /nfs/dbraw/zinc/28/09/98/351280998.db2.gz URAGZTXUMUUFKF-UHFFFAOYSA-N 1 2 223.320 1.495 20 0 BDADLO COCCC1C[NH+](Cc2nc(C)c(C)[nH]2)C1 ZINC000628337905 351281002 /nfs/dbraw/zinc/28/10/02/351281002.db2.gz URAGZTXUMUUFKF-UHFFFAOYSA-N 1 2 223.320 1.495 20 0 BDADLO COc1nccnc1C[NH2+]Cc1ccc(C)o1 ZINC000631242530 351308986 /nfs/dbraw/zinc/30/89/86/351308986.db2.gz KCPSRWLDPICBLV-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CC[C@@H](C)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000379913952 351277545 /nfs/dbraw/zinc/27/75/45/351277545.db2.gz OOQKMTBGBXUULU-SSDOTTSWSA-N 1 2 209.297 1.075 20 0 BDADLO CC[C@@H](C)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000379913952 351277548 /nfs/dbraw/zinc/27/75/48/351277548.db2.gz OOQKMTBGBXUULU-SSDOTTSWSA-N 1 2 209.297 1.075 20 0 BDADLO CCC[C@@H](C[NH2+]Cc1ccn[nH]1)OCC ZINC000623598532 363035797 /nfs/dbraw/zinc/03/57/97/363035797.db2.gz FPXZGPDQIDPRAC-NSHDSACASA-N 1 2 211.309 1.705 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)c2ccccn2)CC1=O ZINC000273518509 351534065 /nfs/dbraw/zinc/53/40/65/351534065.db2.gz PPBYTYKAIQLTEC-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@H+]([C@H](C)c2ccccn2)CC1=O ZINC000273518509 351534066 /nfs/dbraw/zinc/53/40/66/351534066.db2.gz PPBYTYKAIQLTEC-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)c2ccccn2)CC1=O ZINC000273518510 351534161 /nfs/dbraw/zinc/53/41/61/351534161.db2.gz PPBYTYKAIQLTEC-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)c2ccccn2)CC1=O ZINC000273518510 351534163 /nfs/dbraw/zinc/53/41/63/351534163.db2.gz PPBYTYKAIQLTEC-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@H+](Cc2cccs2)CC1=O ZINC000273540385 351535028 /nfs/dbraw/zinc/53/50/28/351535028.db2.gz WVONNWOWBXLKHV-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO CCN1CC[N@@H+](Cc2cccs2)CC1=O ZINC000273540385 351535030 /nfs/dbraw/zinc/53/50/30/351535030.db2.gz WVONNWOWBXLKHV-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO COC(=O)CC1([NH2+]Cc2nnc(C)s2)CC1 ZINC000572125347 323544106 /nfs/dbraw/zinc/54/41/06/323544106.db2.gz XWWOFDLLZKGYDP-UHFFFAOYSA-N 1 2 241.316 1.032 20 0 BDADLO CCC(C)(C)OCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000308494917 363069758 /nfs/dbraw/zinc/06/97/58/363069758.db2.gz BKSZFVDCZUVKSR-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CCN1CCC[N@H+](Cc2ccco2)CC1=O ZINC000276215882 351612673 /nfs/dbraw/zinc/61/26/73/351612673.db2.gz PYQVPFMGKDLESN-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccco2)CC1=O ZINC000276215882 351612676 /nfs/dbraw/zinc/61/26/76/351612676.db2.gz PYQVPFMGKDLESN-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO COC[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)C ZINC000607562539 351607280 /nfs/dbraw/zinc/60/72/80/351607280.db2.gz AVBHJGTXCLNSHY-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCOCC1 ZINC000637810552 351651330 /nfs/dbraw/zinc/65/13/30/351651330.db2.gz HVFFCGDUYGIQQL-NSHDSACASA-N 1 2 221.304 1.203 20 0 BDADLO Nc1ccc(NC(=O)C2(C(F)F)CCC2)c[nH+]1 ZINC000637830665 351679974 /nfs/dbraw/zinc/67/99/74/351679974.db2.gz ZOFXUPQLGMSNEG-UHFFFAOYSA-N 1 2 241.241 1.868 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)sn1 ZINC000637870943 351737444 /nfs/dbraw/zinc/73/74/44/351737444.db2.gz GVTGUPRIPUPPEU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2)sn1 ZINC000637870943 351737446 /nfs/dbraw/zinc/73/74/46/351737446.db2.gz GVTGUPRIPUPPEU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2CC2CCC2)CCO1 ZINC000637883594 351748174 /nfs/dbraw/zinc/74/81/74/351748174.db2.gz PXSUYPZQJNTQLN-LBPRGKRZSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2CC2CCC2)CCO1 ZINC000637883594 351748177 /nfs/dbraw/zinc/74/81/77/351748177.db2.gz PXSUYPZQJNTQLN-LBPRGKRZSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637888913 351760616 /nfs/dbraw/zinc/76/06/16/351760616.db2.gz JWSYSZWRXTYBDL-STQMWFEESA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637888913 351760619 /nfs/dbraw/zinc/76/06/19/351760619.db2.gz JWSYSZWRXTYBDL-STQMWFEESA-N 1 2 249.358 1.982 20 0 BDADLO Cn1c(C[N@H+](C)CC(N)=O)cc2ccccc21 ZINC000637893486 351765399 /nfs/dbraw/zinc/76/53/99/351765399.db2.gz JMSSKUYORJYCDF-UHFFFAOYSA-N 1 2 231.299 1.095 20 0 BDADLO Cn1c(C[N@@H+](C)CC(N)=O)cc2ccccc21 ZINC000637893486 351765401 /nfs/dbraw/zinc/76/54/01/351765401.db2.gz JMSSKUYORJYCDF-UHFFFAOYSA-N 1 2 231.299 1.095 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000607647149 351818835 /nfs/dbraw/zinc/81/88/35/351818835.db2.gz SSPVWZSTMVNPQN-VIFPVBQESA-N 1 2 233.271 1.765 20 0 BDADLO CC[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000618866046 351822501 /nfs/dbraw/zinc/82/25/01/351822501.db2.gz IQXRRXCCTGHWRD-NSHDSACASA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)c1ccco1 ZINC000607642624 351810397 /nfs/dbraw/zinc/81/03/97/351810397.db2.gz HDMIILKAJQGMQD-JTQLQIEISA-N 1 2 247.298 1.775 20 0 BDADLO Cc1cc(N)nc(SCC2CCOCC2)[nH+]1 ZINC000096514033 191142076 /nfs/dbraw/zinc/14/20/76/191142076.db2.gz CCDOEDSQWMVFKM-UHFFFAOYSA-N 1 2 239.344 1.886 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cc(C)no2)cn1 ZINC000072989026 351861932 /nfs/dbraw/zinc/86/19/32/351861932.db2.gz ISTVTNVNUGNGQH-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cc(C)no2)cn1 ZINC000072989026 351861937 /nfs/dbraw/zinc/86/19/37/351861937.db2.gz ISTVTNVNUGNGQH-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO Cc1scc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1C ZINC000637989792 351866268 /nfs/dbraw/zinc/86/62/68/351866268.db2.gz QTODFHOPALAGJL-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO Cc1scc(C[N@H+]2CCNC(=O)[C@@H]2C)c1C ZINC000637989792 351866269 /nfs/dbraw/zinc/86/62/69/351866269.db2.gz QTODFHOPALAGJL-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2CCC[C@@H]2CCO2)no1 ZINC000637998391 351875708 /nfs/dbraw/zinc/87/57/08/351875708.db2.gz IGIPDCCPXMNVMT-GHMZBOCLSA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2CCC[C@@H]2CCO2)no1 ZINC000637998391 351875710 /nfs/dbraw/zinc/87/57/10/351875710.db2.gz IGIPDCCPXMNVMT-GHMZBOCLSA-N 1 2 237.303 1.776 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638053471 351931443 /nfs/dbraw/zinc/93/14/43/351931443.db2.gz BVSMGGTVJRCBQZ-NSHDSACASA-N 1 2 235.331 1.313 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638053471 351931445 /nfs/dbraw/zinc/93/14/45/351931445.db2.gz BVSMGGTVJRCBQZ-NSHDSACASA-N 1 2 235.331 1.313 20 0 BDADLO COCC[N@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000638016131 351894181 /nfs/dbraw/zinc/89/41/81/351894181.db2.gz UVACOMIGGKIVPC-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO COCC[N@@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000638016131 351894183 /nfs/dbraw/zinc/89/41/83/351894183.db2.gz UVACOMIGGKIVPC-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO CCc1nc(N2CC(O)(CC)C2)cc(C)[nH+]1 ZINC000286769668 352104267 /nfs/dbraw/zinc/10/42/67/352104267.db2.gz ICCBHTBPMYKVFV-UHFFFAOYSA-N 1 2 221.304 1.309 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1c(C)cnn1C ZINC000289215162 352176500 /nfs/dbraw/zinc/17/65/00/352176500.db2.gz WYIRXACIAJEVSH-UHFFFAOYSA-N 1 2 247.346 1.484 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1c(C)cnn1C ZINC000289215162 352176505 /nfs/dbraw/zinc/17/65/05/352176505.db2.gz WYIRXACIAJEVSH-UHFFFAOYSA-N 1 2 247.346 1.484 20 0 BDADLO CCC[N@H+](CCO)Cc1ncnn1C(C)C ZINC000083995484 352207678 /nfs/dbraw/zinc/20/76/78/352207678.db2.gz HOUZLLFCHUFIOT-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO CCC[N@@H+](CCO)Cc1ncnn1C(C)C ZINC000083995484 352207680 /nfs/dbraw/zinc/20/76/80/352207680.db2.gz HOUZLLFCHUFIOT-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO CC[C@@H]1C(=O)NCCN1c1[nH]c2ccccc2[nH+]1 ZINC000290798881 352243042 /nfs/dbraw/zinc/24/30/42/352243042.db2.gz PIFGUSJYQXECKX-LLVKDONJSA-N 1 2 244.298 1.278 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290925487 352249844 /nfs/dbraw/zinc/24/98/44/352249844.db2.gz LHMIPJJWDLWSLX-SNVBAGLBSA-N 1 2 219.288 1.271 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](C)CC2)nc(N)[nH+]1 ZINC000383580771 352302523 /nfs/dbraw/zinc/30/25/23/352302523.db2.gz LVOQSNNJERGYIZ-WCBMZHEXSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H](C)CC2)[nH+]1 ZINC000383580771 352302527 /nfs/dbraw/zinc/30/25/27/352302527.db2.gz LVOQSNNJERGYIZ-WCBMZHEXSA-N 1 2 235.335 1.973 20 0 BDADLO CCN(c1cc[nH+]c(C2CC2)n1)[C@@H](C)CO ZINC000292888768 352332235 /nfs/dbraw/zinc/33/22/35/352332235.db2.gz VNWLVONAPSCOBV-VIFPVBQESA-N 1 2 221.304 1.561 20 0 BDADLO CCc1cc(NCCCCOC)nc[nH+]1 ZINC000044659282 352380053 /nfs/dbraw/zinc/38/00/53/352380053.db2.gz KMZLVHHTFRKVIB-UHFFFAOYSA-N 1 2 209.293 1.878 20 0 BDADLO CCC[N@@H+](Cc1cnn[nH]1)C[C@H]1CCCCO1 ZINC000411370209 191182175 /nfs/dbraw/zinc/18/21/75/191182175.db2.gz SPUBMOARILRDRH-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@H+](Cc1cnn[nH]1)C[C@H]1CCCCO1 ZINC000411370209 191182178 /nfs/dbraw/zinc/18/21/78/191182178.db2.gz SPUBMOARILRDRH-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@@H+](Cc1c[nH]nn1)C[C@H]1CCCCO1 ZINC000411370209 191182180 /nfs/dbraw/zinc/18/21/80/191182180.db2.gz SPUBMOARILRDRH-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@H+](Cc1c[nH]nn1)C[C@H]1CCCCO1 ZINC000411370209 191182182 /nfs/dbraw/zinc/18/21/82/191182182.db2.gz SPUBMOARILRDRH-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@@H+](Cc1cn[nH]n1)C[C@H]1CCCCO1 ZINC000411370209 191182184 /nfs/dbraw/zinc/18/21/84/191182184.db2.gz SPUBMOARILRDRH-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@H+](Cc1cn[nH]n1)C[C@H]1CCCCO1 ZINC000411370209 191182185 /nfs/dbraw/zinc/18/21/85/191182185.db2.gz SPUBMOARILRDRH-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000411417322 191184173 /nfs/dbraw/zinc/18/41/73/191184173.db2.gz ILEXQPLOQBOUHH-LBPRGKRZSA-N 1 2 249.358 1.941 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000411417322 191184175 /nfs/dbraw/zinc/18/41/75/191184175.db2.gz ILEXQPLOQBOUHH-LBPRGKRZSA-N 1 2 249.358 1.941 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000411430982 191185505 /nfs/dbraw/zinc/18/55/05/191185505.db2.gz YZESVRCVBAFKRT-GFCCVEGCSA-N 1 2 249.358 1.941 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000411430982 191185508 /nfs/dbraw/zinc/18/55/08/191185508.db2.gz YZESVRCVBAFKRT-GFCCVEGCSA-N 1 2 249.358 1.941 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)n1cccc1 ZINC000607948728 352453454 /nfs/dbraw/zinc/45/34/54/352453454.db2.gz SOJJDDQZTOLKAM-JTQLQIEISA-N 1 2 232.287 1.479 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)n1cccc1 ZINC000607948728 352453456 /nfs/dbraw/zinc/45/34/56/352453456.db2.gz SOJJDDQZTOLKAM-JTQLQIEISA-N 1 2 232.287 1.479 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]CC[C@H](C)O)C(C)C ZINC000411793600 191211559 /nfs/dbraw/zinc/21/15/59/191211559.db2.gz SSBSVCBQCCTKLP-QWRGUYRKSA-N 1 2 231.336 1.323 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC1(C)C ZINC000613413568 363189306 /nfs/dbraw/zinc/18/93/06/363189306.db2.gz SGTQPEKZNJBUHI-LLVKDONJSA-N 1 2 235.331 1.515 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](CF)C1 ZINC000411869852 191224512 /nfs/dbraw/zinc/22/45/12/191224512.db2.gz YNOIBMNZERVLTI-JTQLQIEISA-N 1 2 227.283 1.073 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411865726 191224866 /nfs/dbraw/zinc/22/48/66/191224866.db2.gz UTJJMTYAEMHKBG-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411865726 191224869 /nfs/dbraw/zinc/22/48/69/191224869.db2.gz UTJJMTYAEMHKBG-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411880737 191226049 /nfs/dbraw/zinc/22/60/49/191226049.db2.gz WDVZYURBZGXKNP-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411880737 191226051 /nfs/dbraw/zinc/22/60/51/191226051.db2.gz WDVZYURBZGXKNP-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO COC1([C@@H](C)[NH2+]CC(=O)OC(C)(C)C)CCC1 ZINC000412024062 191238467 /nfs/dbraw/zinc/23/84/67/191238467.db2.gz YITQTIQUGRUCGQ-SNVBAGLBSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@]1(CCNC(=O)Cn2cc[nH+]c2)CC1(F)F ZINC000618629159 352714579 /nfs/dbraw/zinc/71/45/79/352714579.db2.gz UTMICPHJOSWNED-SNVBAGLBSA-N 1 2 243.257 1.435 20 0 BDADLO COc1ccc(NCCC[C@@H]2CCO2)[nH+]c1 ZINC000638779625 352729664 /nfs/dbraw/zinc/72/96/64/352729664.db2.gz PBQIMYKZGOXDAL-SNVBAGLBSA-N 1 2 222.288 1.493 20 0 BDADLO c1cn([C@H]2CCCN(c3cnccn3)C2)c[nH+]1 ZINC000608082513 352746857 /nfs/dbraw/zinc/74/68/57/352746857.db2.gz BBCLETJLHLHZSQ-NSHDSACASA-N 1 2 229.287 1.515 20 0 BDADLO FC(F)Cn1cc(C[NH2+]Cc2ccno2)cn1 ZINC000383351988 352747486 /nfs/dbraw/zinc/74/74/86/352747486.db2.gz OSTBONJIOPLSJU-UHFFFAOYSA-N 1 2 242.229 1.426 20 0 BDADLO CO[C@@H]1CCC[C@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000334180024 352767293 /nfs/dbraw/zinc/76/72/93/352767293.db2.gz DPXDYASEJOOBPD-NWDGAFQWSA-N 1 2 248.326 1.956 20 0 BDADLO Cn1cncc1C[NH2+]C(C)(C)c1nccs1 ZINC000116381089 180784386 /nfs/dbraw/zinc/78/43/86/180784386.db2.gz SCTDNFQRCDWSAO-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000334218441 352819283 /nfs/dbraw/zinc/81/92/83/352819283.db2.gz TVVQMMLBPFAZAV-YMTOWFKASA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000334218441 352819285 /nfs/dbraw/zinc/81/92/85/352819285.db2.gz TVVQMMLBPFAZAV-YMTOWFKASA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000334218424 352819565 /nfs/dbraw/zinc/81/95/65/352819565.db2.gz TVVQMMLBPFAZAV-LKFCYVNXSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000334218424 352819568 /nfs/dbraw/zinc/81/95/68/352819568.db2.gz TVVQMMLBPFAZAV-LKFCYVNXSA-N 1 2 221.341 1.577 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334193970 352786271 /nfs/dbraw/zinc/78/62/71/352786271.db2.gz JHXJNHWOTJXHKO-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334193970 352786276 /nfs/dbraw/zinc/78/62/76/352786276.db2.gz JHXJNHWOTJXHKO-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000334205698 352800912 /nfs/dbraw/zinc/80/09/12/352800912.db2.gz VBKKBUAQCDIDMO-ZJUUUORDSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000334205698 352800914 /nfs/dbraw/zinc/80/09/14/352800914.db2.gz VBKKBUAQCDIDMO-ZJUUUORDSA-N 1 2 237.347 1.816 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000334235913 352853584 /nfs/dbraw/zinc/85/35/84/352853584.db2.gz HNZYAORMIWZDMX-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000334235913 352853587 /nfs/dbraw/zinc/85/35/87/352853587.db2.gz HNZYAORMIWZDMX-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)O[C@@H](C3CC3)C2)n1C ZINC000342852405 352875240 /nfs/dbraw/zinc/87/52/40/352875240.db2.gz CKRDUCDCEALZGB-WCQYABFASA-N 1 2 249.358 1.728 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]cc(C)n2C)CCCO1 ZINC000342855914 352876190 /nfs/dbraw/zinc/87/61/90/352876190.db2.gz YFPVQZFJXGBAJH-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO CC(C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000334282561 352923202 /nfs/dbraw/zinc/92/32/02/352923202.db2.gz UMBUJQNPYHYLKH-ZDUSSCGKSA-N 1 2 247.342 1.601 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000334261659 352894818 /nfs/dbraw/zinc/89/48/18/352894818.db2.gz YFBOESXVZDNUKS-LLVKDONJSA-N 1 2 247.342 1.777 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnc2ccccn12 ZINC000334349973 352980882 /nfs/dbraw/zinc/98/08/82/352980882.db2.gz ARVLIOLBIVBFEY-QWRGUYRKSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnc2ccccn12 ZINC000334349973 352980885 /nfs/dbraw/zinc/98/08/85/352980885.db2.gz ARVLIOLBIVBFEY-QWRGUYRKSA-N 1 2 249.289 1.239 20 0 BDADLO C[C@@H]1CC[C@](CO)([N@H+](C)CC(F)F)C1 ZINC000187965756 538106374 /nfs/dbraw/zinc/10/63/74/538106374.db2.gz IMKGWVAZFPHDPJ-SCZZXKLOSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CC[C@](CO)([N@@H+](C)CC(F)F)C1 ZINC000187965756 538106375 /nfs/dbraw/zinc/10/63/75/538106375.db2.gz IMKGWVAZFPHDPJ-SCZZXKLOSA-N 1 2 207.264 1.734 20 0 BDADLO Cn1cccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334322519 352959172 /nfs/dbraw/zinc/95/91/72/352959172.db2.gz YCXHJFYWOKURIY-SECBINFHSA-N 1 2 244.298 1.036 20 0 BDADLO Cn1cccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334322519 352959175 /nfs/dbraw/zinc/95/91/75/352959175.db2.gz YCXHJFYWOKURIY-SECBINFHSA-N 1 2 244.298 1.036 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000334331188 352967621 /nfs/dbraw/zinc/96/76/21/352967621.db2.gz KZCCNHCOFCEYNI-NSHDSACASA-N 1 2 228.267 1.198 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000334331188 352967622 /nfs/dbraw/zinc/96/76/22/352967622.db2.gz KZCCNHCOFCEYNI-NSHDSACASA-N 1 2 228.267 1.198 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCOC2)c[nH+]1 ZINC000334331657 352967624 /nfs/dbraw/zinc/96/76/24/352967624.db2.gz LOJCYGUNIYRDRW-WCBMZHEXSA-N 1 2 237.303 1.263 20 0 BDADLO FC1(F)CC([NH2+]Cc2csnn2)C1 ZINC000306438199 353014765 /nfs/dbraw/zinc/01/47/65/353014765.db2.gz LQYUKGKIJWVGFK-UHFFFAOYSA-N 1 2 205.233 1.425 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000582155418 353022615 /nfs/dbraw/zinc/02/26/15/353022615.db2.gz SLVJTCJZCFVTBG-JGPRNRPPSA-N 1 2 234.303 1.018 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnn[nH]2)CCS1 ZINC000334360556 353009100 /nfs/dbraw/zinc/00/91/00/353009100.db2.gz ZIDAIHMKHRIPKC-JTQLQIEISA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000334360556 353009105 /nfs/dbraw/zinc/00/91/05/353009105.db2.gz ZIDAIHMKHRIPKC-JTQLQIEISA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2c[nH]nn2)CCS1 ZINC000334360556 353009108 /nfs/dbraw/zinc/00/91/08/353009108.db2.gz ZIDAIHMKHRIPKC-JTQLQIEISA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000334360556 353009112 /nfs/dbraw/zinc/00/91/12/353009112.db2.gz ZIDAIHMKHRIPKC-JTQLQIEISA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cn[nH]n2)CCS1 ZINC000334360556 353009115 /nfs/dbraw/zinc/00/91/15/353009115.db2.gz ZIDAIHMKHRIPKC-JTQLQIEISA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cn[nH]n2)CCS1 ZINC000334360556 353009121 /nfs/dbraw/zinc/00/91/21/353009121.db2.gz ZIDAIHMKHRIPKC-JTQLQIEISA-N 1 2 226.349 1.378 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CCCOC1 ZINC000038046447 180823731 /nfs/dbraw/zinc/82/37/31/180823731.db2.gz GSUQRPNPUBSCMY-SECBINFHSA-N 1 2 247.302 1.202 20 0 BDADLO CC(C)c1nc(N[C@H]2CCC[C@@]2(C)CO)cc[nH+]1 ZINC000608090080 353110086 /nfs/dbraw/zinc/11/00/86/353110086.db2.gz ZCCSLXAVJABXHE-FZMZJTMJSA-N 1 2 249.358 1.985 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000353379781 188060348 /nfs/dbraw/zinc/06/03/48/188060348.db2.gz KBKHQTDFXZOKNX-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000353379781 188060350 /nfs/dbraw/zinc/06/03/50/188060350.db2.gz KBKHQTDFXZOKNX-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CC(=O)c1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000360969901 188070094 /nfs/dbraw/zinc/07/00/94/188070094.db2.gz WLBQVLDQYZMIIN-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000360912609 188070302 /nfs/dbraw/zinc/07/03/02/188070302.db2.gz MHTIBVOFBMUOSS-LLVKDONJSA-N 1 2 239.315 1.814 20 0 BDADLO CC(C)(O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000360912609 188070303 /nfs/dbraw/zinc/07/03/03/188070303.db2.gz MHTIBVOFBMUOSS-LLVKDONJSA-N 1 2 239.315 1.814 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000361199781 188070809 /nfs/dbraw/zinc/07/08/09/188070809.db2.gz JLQMIVGZXSMYDP-SECBINFHSA-N 1 2 209.293 1.708 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC12CCC(CC1)C2 ZINC000369093228 188073918 /nfs/dbraw/zinc/07/39/18/188073918.db2.gz DHKJJXGGTYGHHR-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO CC(=O)CC[NH+]1CCN([C@H]2CCSC2)CC1 ZINC000370415450 188074448 /nfs/dbraw/zinc/07/44/48/188074448.db2.gz OCESKOXBFHFZPV-LBPRGKRZSA-N 1 2 242.388 1.089 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000375779440 188077591 /nfs/dbraw/zinc/07/75/91/188077591.db2.gz XDXVQDOHJWQWOJ-KANVGOIPSA-N 1 2 245.326 1.755 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280597377 188095555 /nfs/dbraw/zinc/09/55/55/188095555.db2.gz JADMBXLQQPDOEL-MRXNPFEDSA-N 1 2 241.360 1.109 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000279508324 188096248 /nfs/dbraw/zinc/09/62/48/188096248.db2.gz NFNLPPZZFSUKKA-ZDUSSCGKSA-N 1 2 245.330 1.697 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332735430 188102869 /nfs/dbraw/zinc/10/28/69/188102869.db2.gz XXKBFBRJMRWVLF-MRVPVSSYSA-N 1 2 224.308 1.378 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332735430 188102871 /nfs/dbraw/zinc/10/28/71/188102871.db2.gz XXKBFBRJMRWVLF-MRVPVSSYSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000061674901 188128508 /nfs/dbraw/zinc/12/85/08/188128508.db2.gz BYCPNSXMVYJZNY-SNVBAGLBSA-N 1 2 247.294 1.969 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000061674901 188128509 /nfs/dbraw/zinc/12/85/09/188128509.db2.gz BYCPNSXMVYJZNY-SNVBAGLBSA-N 1 2 247.294 1.969 20 0 BDADLO CC(C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330953067 353203997 /nfs/dbraw/zinc/20/39/97/353203997.db2.gz LJOYYIBKOWDGDJ-UHFFFAOYSA-N 1 2 209.293 1.460 20 0 BDADLO CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000129200478 188154978 /nfs/dbraw/zinc/15/49/78/188154978.db2.gz JEDWFQOSZCUJBV-SNVBAGLBSA-N 1 2 238.356 1.973 20 0 BDADLO Cc1ccc(NC(=O)NCCCO)c(C)[nH+]1 ZINC000152158963 188157430 /nfs/dbraw/zinc/15/74/30/188157430.db2.gz SKGXFMIAVMJWRA-UHFFFAOYSA-N 1 2 223.276 1.202 20 0 BDADLO Cc1ccc(CCNc2ncccn2)c[nH+]1 ZINC000301258860 188160080 /nfs/dbraw/zinc/16/00/80/188160080.db2.gz UPRWTKKUBQHXDN-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000184787818 188169681 /nfs/dbraw/zinc/16/96/81/188169681.db2.gz PZZQACPTWVALED-RYUDHWBXSA-N 1 2 235.331 1.682 20 0 BDADLO C/C(=C\C(C)(C)C)C(=O)NCCn1cc[nH+]c1 ZINC000184950664 188170581 /nfs/dbraw/zinc/17/05/81/188170581.db2.gz FBSCVPITJYMAKT-PKNBQFBNSA-N 1 2 235.331 1.992 20 0 BDADLO Cc1cc(=O)[nH]c(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000340041161 188193020 /nfs/dbraw/zinc/19/30/20/188193020.db2.gz NVXHXQOYNVTOKK-UHFFFAOYSA-N 1 2 243.266 1.473 20 0 BDADLO c1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H]3C[C@H]31)CO2 ZINC000366553955 188193621 /nfs/dbraw/zinc/19/36/21/188193621.db2.gz AAAMWMCPSJUUCL-HIFRSBDPSA-N 1 2 243.306 1.936 20 0 BDADLO c1ccc2c(c1)C=C(C[N@H+]1CCO[C@H]3C[C@H]31)CO2 ZINC000366553955 188193623 /nfs/dbraw/zinc/19/36/23/188193623.db2.gz AAAMWMCPSJUUCL-HIFRSBDPSA-N 1 2 243.306 1.936 20 0 BDADLO COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000267238236 188195599 /nfs/dbraw/zinc/19/55/99/188195599.db2.gz RJBDPPUYTRQZIN-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)C1CCC1 ZINC000266009415 188195716 /nfs/dbraw/zinc/19/57/16/188195716.db2.gz CDYUJPCAOXQWLG-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO CC(C)[N@H+](Cc1ccco1)Cc1nc(=O)[nH][nH]1 ZINC000271638062 188199229 /nfs/dbraw/zinc/19/92/29/188199229.db2.gz QOXWSUDJGDTHQM-UHFFFAOYSA-N 1 2 236.275 1.102 20 0 BDADLO CC(C)[N@@H+](Cc1ccco1)Cc1nc(=O)[nH][nH]1 ZINC000271638062 188199231 /nfs/dbraw/zinc/19/92/31/188199231.db2.gz QOXWSUDJGDTHQM-UHFFFAOYSA-N 1 2 236.275 1.102 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000365338896 188180118 /nfs/dbraw/zinc/18/01/18/188180118.db2.gz VJNWEGMIEVHKPJ-CYBMUJFWSA-N 1 2 233.315 1.594 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000365338896 188180120 /nfs/dbraw/zinc/18/01/20/188180120.db2.gz VJNWEGMIEVHKPJ-CYBMUJFWSA-N 1 2 233.315 1.594 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C(F)F)CC1 ZINC000337699468 188186151 /nfs/dbraw/zinc/18/61/51/188186151.db2.gz SMJLKKFIUAYUBS-UHFFFAOYSA-N 1 2 243.257 1.267 20 0 BDADLO CC(C)[C@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000230915435 188187782 /nfs/dbraw/zinc/18/77/82/188187782.db2.gz ZEESAHOTMMLKFH-JTQLQIEISA-N 1 2 249.318 1.182 20 0 BDADLO CCCCc1noc(C[N@H+](CC)[C@H](C)CO)n1 ZINC000339626121 188191721 /nfs/dbraw/zinc/19/17/21/188191721.db2.gz BQJKHZIIYHBTFK-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](CC)[C@H](C)CO)n1 ZINC000339626121 188191723 /nfs/dbraw/zinc/19/17/23/188191723.db2.gz BQJKHZIIYHBTFK-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2ccncc2)n1 ZINC000295566784 188213593 /nfs/dbraw/zinc/21/35/93/188213593.db2.gz ZQPBTCGHNUSEJQ-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2ccncc2)n1 ZINC000295566784 188213595 /nfs/dbraw/zinc/21/35/95/188213595.db2.gz ZQPBTCGHNUSEJQ-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO C=Cn1cc(C[N@@H+](C(C)C)C2COC2)cn1 ZINC000295590354 188214314 /nfs/dbraw/zinc/21/43/14/188214314.db2.gz BZMIHKUULKIJFP-UHFFFAOYSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@H+](C(C)C)C2COC2)cn1 ZINC000295590354 188214315 /nfs/dbraw/zinc/21/43/15/188214315.db2.gz BZMIHKUULKIJFP-UHFFFAOYSA-N 1 2 221.304 1.593 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOCC1CC1 ZINC000134560457 538113529 /nfs/dbraw/zinc/11/35/29/538113529.db2.gz ZRMXAYUFTDEICM-SECBINFHSA-N 1 2 223.320 1.795 20 0 BDADLO CC(C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000299621425 188216083 /nfs/dbraw/zinc/21/60/83/188216083.db2.gz IXZJZGPPVIWSLM-JTQLQIEISA-N 1 2 209.293 1.434 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000134577484 538113547 /nfs/dbraw/zinc/11/35/47/538113547.db2.gz VEFBZFHOOBFGSO-SECBINFHSA-N 1 2 218.304 1.907 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H]1F ZINC000340782276 188217103 /nfs/dbraw/zinc/21/71/03/188217103.db2.gz MCGNYZYSQDTGJV-WDEREUQCSA-N 1 2 239.294 1.360 20 0 BDADLO C[C@H]1CC=CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000341174157 188217716 /nfs/dbraw/zinc/21/77/16/188217716.db2.gz PACBVKSRBPZVHS-RYUDHWBXSA-N 1 2 233.315 1.602 20 0 BDADLO CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331223324 188219878 /nfs/dbraw/zinc/21/98/78/188219878.db2.gz WLTPKFICTVPOTN-QWRGUYRKSA-N 1 2 237.303 1.087 20 0 BDADLO CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331223324 188219880 /nfs/dbraw/zinc/21/98/80/188219880.db2.gz WLTPKFICTVPOTN-QWRGUYRKSA-N 1 2 237.303 1.087 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC1 ZINC000074534920 188221436 /nfs/dbraw/zinc/22/14/36/188221436.db2.gz QEJLZVIZWRGRHF-UHFFFAOYSA-N 1 2 236.319 1.454 20 0 BDADLO CC(C)C[C@H](CO)N(C)c1cccc[nH+]1 ZINC000274584899 188201500 /nfs/dbraw/zinc/20/15/00/188201500.db2.gz BDMCEJIZPBWZNG-LLVKDONJSA-N 1 2 208.305 1.925 20 0 BDADLO C/C=C(/CC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000276523667 188202321 /nfs/dbraw/zinc/20/23/21/188202321.db2.gz LUDXKQMMUMQCIT-JXMFCEOTSA-N 1 2 235.331 1.992 20 0 BDADLO CC(C)[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000275964813 188202335 /nfs/dbraw/zinc/20/23/35/188202335.db2.gz DVRQURTWAKIAKF-ZETCQYMHSA-N 1 2 234.307 1.402 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1cccnc1 ZINC000276659798 188202753 /nfs/dbraw/zinc/20/27/53/188202753.db2.gz MKLYLEACKYUAPE-UHFFFAOYSA-N 1 2 230.271 1.386 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cccnc2)nn1 ZINC000283093439 188206892 /nfs/dbraw/zinc/20/68/92/188206892.db2.gz LJWVNGOZEMQRKK-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cccnc2)nn1 ZINC000283093439 188206894 /nfs/dbraw/zinc/20/68/94/188206894.db2.gz LJWVNGOZEMQRKK-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](O)C2)no1 ZINC000283973218 188207038 /nfs/dbraw/zinc/20/70/38/188207038.db2.gz MBAADTTXPYXTIU-JTQLQIEISA-N 1 2 224.304 1.539 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2CC[C@H](O)C2)no1 ZINC000283973218 188207039 /nfs/dbraw/zinc/20/70/39/188207039.db2.gz MBAADTTXPYXTIU-JTQLQIEISA-N 1 2 224.304 1.539 20 0 BDADLO Cc1cc(NC(=O)CCc2cncnc2)cc[nH+]1 ZINC000340230673 188208067 /nfs/dbraw/zinc/20/80/67/188208067.db2.gz IXPAEADFHQNWEG-UHFFFAOYSA-N 1 2 242.282 1.173 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000336347535 188229371 /nfs/dbraw/zinc/22/93/71/188229371.db2.gz CPHDTMOAGIJYNM-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000336347535 188229373 /nfs/dbraw/zinc/22/93/73/188229373.db2.gz CPHDTMOAGIJYNM-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336311359 188229380 /nfs/dbraw/zinc/22/93/80/188229380.db2.gz HQIIXWVMMJSPAH-NWDGAFQWSA-N 1 2 249.358 1.948 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000336514167 188231060 /nfs/dbraw/zinc/23/10/60/188231060.db2.gz RXBZZOPBBASVFY-UWVGGRQHSA-N 1 2 236.319 1.360 20 0 BDADLO COc1ccc(NCc2ccnn2C)[nH+]c1 ZINC000225894815 538114511 /nfs/dbraw/zinc/11/45/11/538114511.db2.gz WDSVIDMYCSPFQV-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO CC[C@H](COC)Nc1ccc(OC)c[nH+]1 ZINC000225836225 538114300 /nfs/dbraw/zinc/11/43/00/538114300.db2.gz NFLPTRHHYWKHQB-SECBINFHSA-N 1 2 210.277 1.927 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H]2CCCn3ncnc32)cn1 ZINC000331585981 188226280 /nfs/dbraw/zinc/22/62/80/188226280.db2.gz SRKKFWSOGOQPSW-LLVKDONJSA-N 1 2 244.302 1.200 20 0 BDADLO CC(C)N1CCC[C@@H]([N@@H+]2CCOC[C@@H]2C)C1=O ZINC000336264299 188228351 /nfs/dbraw/zinc/22/83/51/188228351.db2.gz DCJKDQCFASCGTP-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@@H]([N@H+]2CCOC[C@@H]2C)C1=O ZINC000336264299 188228353 /nfs/dbraw/zinc/22/83/53/188228353.db2.gz DCJKDQCFASCGTP-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1nnc(NCc2c[nH+]cn2C)s1 ZINC000225940647 538114708 /nfs/dbraw/zinc/11/47/08/538114708.db2.gz AZEPLQBLEUJQPI-UHFFFAOYSA-N 1 2 209.278 1.192 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000253364671 353329579 /nfs/dbraw/zinc/32/95/79/353329579.db2.gz MLUCAFLYKUJXIP-UTLUCORTSA-N 1 2 237.303 1.402 20 0 BDADLO CO[C@H](C[NH+]1CC(F)C1)C1CCOCC1 ZINC000639039353 353319934 /nfs/dbraw/zinc/31/99/34/353319934.db2.gz SKQCTEGGBRCFQS-LLVKDONJSA-N 1 2 217.284 1.082 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)[C@H]1C1CC1 ZINC000529400239 353356129 /nfs/dbraw/zinc/35/61/29/353356129.db2.gz BITDMNJBGREFFP-ZEGGKSINSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)[C@H]1C1CC1 ZINC000529400239 353356132 /nfs/dbraw/zinc/35/61/32/353356132.db2.gz BITDMNJBGREFFP-ZEGGKSINSA-N 1 2 245.326 1.587 20 0 BDADLO CC(C)COCCC(=O)NCc1[nH+]ccn1C ZINC000343286633 353356419 /nfs/dbraw/zinc/35/64/19/353356419.db2.gz NARROHWVRWQCTQ-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)sn1 ZINC000639058697 353365468 /nfs/dbraw/zinc/36/54/68/353365468.db2.gz UGOHMTSENNVYRW-QWRGUYRKSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)sn1 ZINC000639058697 353365471 /nfs/dbraw/zinc/36/54/71/353365471.db2.gz UGOHMTSENNVYRW-QWRGUYRKSA-N 1 2 239.388 1.976 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@H]1CC1(F)F ZINC000639054481 353353259 /nfs/dbraw/zinc/35/32/59/353353259.db2.gz TWZYLESZQFXGFJ-PHDIDXHHSA-N 1 2 215.190 1.247 20 0 BDADLO Cc1c[nH]c(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000135675991 538116117 /nfs/dbraw/zinc/11/61/17/538116117.db2.gz XDHQXPOZGSPCAI-UHFFFAOYSA-N 1 2 233.275 1.334 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCc2n[nH]cc21 ZINC000330092339 538116792 /nfs/dbraw/zinc/11/67/92/538116792.db2.gz QSQATUPITJVGSO-UHFFFAOYSA-N 1 2 245.286 1.045 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCc2n[nH]cc21 ZINC000330092339 538116793 /nfs/dbraw/zinc/11/67/93/538116793.db2.gz QSQATUPITJVGSO-UHFFFAOYSA-N 1 2 245.286 1.045 20 0 BDADLO CO[C@@H](C)CN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000514766996 324112070 /nfs/dbraw/zinc/11/20/70/324112070.db2.gz XVEAPZYSJUIJFN-NSHDSACASA-N 1 2 239.319 1.155 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000091531041 353408940 /nfs/dbraw/zinc/40/89/40/353408940.db2.gz MLXRBDRXZKESDM-UWVGGRQHSA-N 1 2 236.319 1.253 20 0 BDADLO CCc1nc(C[NH2+][C@@]2(C)CCO[C@H]2C)no1 ZINC000336778163 353506965 /nfs/dbraw/zinc/50/69/65/353506965.db2.gz KNKZHGDSSOFDKN-KWQFWETISA-N 1 2 225.292 1.289 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(=O)[nH]c2)n1 ZINC000639100026 353508397 /nfs/dbraw/zinc/50/83/97/353508397.db2.gz XSZQOVUTUMOOBH-SSDOTTSWSA-N 1 2 234.259 1.329 20 0 BDADLO CO[C@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000577886316 366089202 /nfs/dbraw/zinc/08/92/02/366089202.db2.gz HCTLHSYEDFYSOC-NSHDSACASA-N 1 2 221.304 1.709 20 0 BDADLO COC1(C)CN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000334512358 353539060 /nfs/dbraw/zinc/53/90/60/353539060.db2.gz YGXVDOJLXLELFS-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CO[C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC000074028453 353581171 /nfs/dbraw/zinc/58/11/71/353581171.db2.gz BQZZUQOBFVXABH-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO Cc1cc(NCCc2ccnn2C)nc[nH+]1 ZINC000231039557 353554219 /nfs/dbraw/zinc/55/42/19/353554219.db2.gz SRKSZMAXERTWEK-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000642318842 363258717 /nfs/dbraw/zinc/25/87/17/363258717.db2.gz YPDUBWKKZJHPEZ-KXUCPTDWSA-N 1 2 248.330 1.762 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1[nH+]cnc2c1OCCN2 ZINC000642318842 363258721 /nfs/dbraw/zinc/25/87/21/363258721.db2.gz YPDUBWKKZJHPEZ-KXUCPTDWSA-N 1 2 248.330 1.762 20 0 BDADLO CC[C@@H](NC(=O)c1cc[nH]c1)c1[nH]cc[nH+]1 ZINC000442823794 353866406 /nfs/dbraw/zinc/86/64/06/353866406.db2.gz RNLPOGCLAQWULU-SECBINFHSA-N 1 2 218.260 1.619 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](O)[C@H](C)C2)cc[nH+]1 ZINC000334520965 353885355 /nfs/dbraw/zinc/88/53/55/353885355.db2.gz FINROMAWTXNSKW-SKDRFNHKSA-N 1 2 249.314 1.047 20 0 BDADLO CCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000334524823 353896759 /nfs/dbraw/zinc/89/67/59/353896759.db2.gz XWQHNJQKHYAKNU-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@](C)(CNc1ccc(CO)c[nH+]1)OC ZINC000639132962 353842315 /nfs/dbraw/zinc/84/23/15/353842315.db2.gz WQMLBBCSFDVXEP-GFCCVEGCSA-N 1 2 224.304 1.801 20 0 BDADLO C[C@]1(F)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343564924 353936028 /nfs/dbraw/zinc/93/60/28/353936028.db2.gz PZJSGHGLXXHISZ-XQQFMLRXSA-N 1 2 242.338 1.284 20 0 BDADLO C[C@]1(F)CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343564924 353936029 /nfs/dbraw/zinc/93/60/29/353936029.db2.gz PZJSGHGLXXHISZ-XQQFMLRXSA-N 1 2 242.338 1.284 20 0 BDADLO CC[C@@H](O)CCNc1[nH+]cccc1OC ZINC000218868131 324280365 /nfs/dbraw/zinc/28/03/65/324280365.db2.gz GZOJLSIFDQZVMZ-SECBINFHSA-N 1 2 210.277 1.663 20 0 BDADLO Fc1cccc2c1OCCN(Cc1c[nH+]c[nH]1)C2 ZINC000334541191 353975684 /nfs/dbraw/zinc/97/56/84/353975684.db2.gz UWJPRFOYRMWHSB-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Fc1cccc2c1OCCN(Cc1c[nH]c[nH+]1)C2 ZINC000334541191 353975685 /nfs/dbraw/zinc/97/56/85/353975685.db2.gz UWJPRFOYRMWHSB-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343723698 353959395 /nfs/dbraw/zinc/95/93/95/353959395.db2.gz ZXZZGUSBILZXTP-RYUDHWBXSA-N 1 2 249.358 1.854 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1C[C@H](O)C(C)(C)C ZINC000343914912 354040569 /nfs/dbraw/zinc/04/05/69/354040569.db2.gz VZFSZTCYABDAIK-UWVGGRQHSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1C[C@H](O)C(C)(C)C ZINC000343914912 354040571 /nfs/dbraw/zinc/04/05/71/354040571.db2.gz VZFSZTCYABDAIK-UWVGGRQHSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1cn(C)nc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000334556533 354002357 /nfs/dbraw/zinc/00/23/57/354002357.db2.gz CVUAJMPOCNTYJR-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO CCCCNc1cc(N[C@@H]2CC[C@@H]2C)nc(N)[nH+]1 ZINC000343803378 354007272 /nfs/dbraw/zinc/00/72/72/354007272.db2.gz GCFBGZQYPDIVDZ-VHSXEESVSA-N 1 2 249.362 1.733 20 0 BDADLO CCCCNc1cc(N[C@@H]2CC[C@@H]2C)[nH+]c(N)n1 ZINC000343803378 354007276 /nfs/dbraw/zinc/00/72/76/354007276.db2.gz GCFBGZQYPDIVDZ-VHSXEESVSA-N 1 2 249.362 1.733 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000343980042 354057032 /nfs/dbraw/zinc/05/70/32/354057032.db2.gz HDEHKCSVEZRISJ-MWLCHTKSSA-N 1 2 221.304 1.267 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000343983721 354058947 /nfs/dbraw/zinc/05/89/47/354058947.db2.gz VFFPURZHRZQSBW-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000343983721 354058949 /nfs/dbraw/zinc/05/89/49/354058949.db2.gz VFFPURZHRZQSBW-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000343983723 354059031 /nfs/dbraw/zinc/05/90/31/354059031.db2.gz VFFPURZHRZQSBW-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000343983723 354059035 /nfs/dbraw/zinc/05/90/35/354059035.db2.gz VFFPURZHRZQSBW-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO CC[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082386 354135192 /nfs/dbraw/zinc/13/51/92/354135192.db2.gz DGBPVWCMXHFTFU-BDAKNGLRSA-N 1 2 224.308 1.488 20 0 BDADLO CC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082386 354135194 /nfs/dbraw/zinc/13/51/94/354135194.db2.gz DGBPVWCMXHFTFU-BDAKNGLRSA-N 1 2 224.308 1.488 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cncn2C)s1 ZINC000230687200 363319517 /nfs/dbraw/zinc/31/95/17/363319517.db2.gz BLTCWSZNOIRMHS-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](CO)C[C@@H]2C)s1 ZINC000344155155 354157154 /nfs/dbraw/zinc/15/71/54/354157154.db2.gz JZEPZIWERXSVQN-WCBMZHEXSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](CO)C[C@@H]2C)s1 ZINC000344155155 354157156 /nfs/dbraw/zinc/15/71/56/354157156.db2.gz JZEPZIWERXSVQN-WCBMZHEXSA-N 1 2 241.360 1.439 20 0 BDADLO CCC[C@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000344217456 354181287 /nfs/dbraw/zinc/18/12/87/354181287.db2.gz UGPCZOOEFJFWOS-LBPRGKRZSA-N 1 2 242.363 1.261 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000231349023 363342910 /nfs/dbraw/zinc/34/29/10/363342910.db2.gz PSPVBYUDMGNRHD-UWVGGRQHSA-N 1 2 231.361 1.813 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(F)cn1 ZINC000344238747 354187139 /nfs/dbraw/zinc/18/71/39/354187139.db2.gz PNQFEPRLGOAOFH-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccco1 ZINC000344305839 354215022 /nfs/dbraw/zinc/21/50/22/354215022.db2.gz OVIPJSBVCBIDGL-SNVBAGLBSA-N 1 2 246.314 1.986 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000529666074 324373744 /nfs/dbraw/zinc/37/37/44/324373744.db2.gz JKGWYBOXTVDRHI-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000529666074 324373747 /nfs/dbraw/zinc/37/37/47/324373747.db2.gz JKGWYBOXTVDRHI-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncc[nH]1)c1cccc(F)c1 ZINC000344316339 354221978 /nfs/dbraw/zinc/22/19/78/354221978.db2.gz JUWHJJSWTCWANI-LLVKDONJSA-N 1 2 235.262 1.372 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000334599191 354234650 /nfs/dbraw/zinc/23/46/50/354234650.db2.gz QTVGYTSYSAKYPU-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000334599191 354234654 /nfs/dbraw/zinc/23/46/54/354234654.db2.gz QTVGYTSYSAKYPU-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344345145 354237994 /nfs/dbraw/zinc/23/79/94/354237994.db2.gz JHEAQBXYYUTFSM-IUCAKERBSA-N 1 2 233.315 1.429 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344345145 354238000 /nfs/dbraw/zinc/23/80/00/354238000.db2.gz JHEAQBXYYUTFSM-IUCAKERBSA-N 1 2 233.315 1.429 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000334604759 354285293 /nfs/dbraw/zinc/28/52/93/354285293.db2.gz OMJJOMBLUULQMU-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000334604759 354285295 /nfs/dbraw/zinc/28/52/95/354285295.db2.gz OMJJOMBLUULQMU-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO CO[C@H](CNC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000074231379 354309610 /nfs/dbraw/zinc/30/96/10/354309610.db2.gz HOBIEYTXKOEJCN-SNVBAGLBSA-N 1 2 239.319 1.060 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000074234162 354324382 /nfs/dbraw/zinc/32/43/82/354324382.db2.gz PQQHUKAYRUKSCS-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1nncn1C)OC ZINC000639183045 354341673 /nfs/dbraw/zinc/34/16/73/354341673.db2.gz QKDGPLXCPJSGEL-QWRGUYRKSA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1nncn1C)OC ZINC000639183045 354341676 /nfs/dbraw/zinc/34/16/76/354341676.db2.gz QKDGPLXCPJSGEL-QWRGUYRKSA-N 1 2 240.351 1.308 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000344987657 354388850 /nfs/dbraw/zinc/38/88/50/354388850.db2.gz RPMWTTWSAMPPTD-SSDOTTSWSA-N 1 2 247.302 1.170 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000334623453 354361809 /nfs/dbraw/zinc/36/18/09/354361809.db2.gz OBJITIOUWMENAS-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000334623453 354361811 /nfs/dbraw/zinc/36/18/11/354361811.db2.gz OBJITIOUWMENAS-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO C[C@]1(F)CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000334625078 354365105 /nfs/dbraw/zinc/36/51/05/354365105.db2.gz UCDNGNIRTBXQEF-NSHDSACASA-N 1 2 214.284 1.089 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000334625078 354365107 /nfs/dbraw/zinc/36/51/07/354365107.db2.gz UCDNGNIRTBXQEF-NSHDSACASA-N 1 2 214.284 1.089 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000334646527 354436396 /nfs/dbraw/zinc/43/63/96/354436396.db2.gz KZBZOXLSICDDFY-VIFPVBQESA-N 1 2 229.711 1.257 20 0 BDADLO C[C@H]1COCC[N@H+]1CCn1cc(Cl)cn1 ZINC000334646527 354436400 /nfs/dbraw/zinc/43/64/00/354436400.db2.gz KZBZOXLSICDDFY-VIFPVBQESA-N 1 2 229.711 1.257 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000334647176 354437735 /nfs/dbraw/zinc/43/77/35/354437735.db2.gz ZTLLEFWGYSNOFJ-GFCCVEGCSA-N 1 2 227.254 1.996 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000334647176 354437737 /nfs/dbraw/zinc/43/77/37/354437737.db2.gz ZTLLEFWGYSNOFJ-GFCCVEGCSA-N 1 2 227.254 1.996 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2cnccn2)C1 ZINC000334643450 354400865 /nfs/dbraw/zinc/40/08/65/354400865.db2.gz CXHBZIYMZIBMGQ-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2cnccn2)C1 ZINC000334643450 354400866 /nfs/dbraw/zinc/40/08/66/354400866.db2.gz CXHBZIYMZIBMGQ-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO Cc1ccc2nc(C[NH+]3CC(C)(CO)C3)cn2c1 ZINC000334645184 354403647 /nfs/dbraw/zinc/40/36/47/354403647.db2.gz JAHDASJDVNKLMU-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO Cc1ccc2[nH+]c(CN3CC(C)(CO)C3)cn2c1 ZINC000334645184 354403649 /nfs/dbraw/zinc/40/36/49/354403649.db2.gz JAHDASJDVNKLMU-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(C2CC2)no1 ZINC000349653913 366209379 /nfs/dbraw/zinc/20/93/79/366209379.db2.gz SIGCAUSEKJONAB-UHFFFAOYSA-N 1 2 204.233 1.271 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)CC)CCO1 ZINC000179150640 366211804 /nfs/dbraw/zinc/21/18/04/366211804.db2.gz ZQIMGZXPDVAAQY-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)CC)CCO1 ZINC000179150640 366211808 /nfs/dbraw/zinc/21/18/08/366211808.db2.gz ZQIMGZXPDVAAQY-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO NC(=O)C1([NH2+]CC(F)F)CCCCC1 ZINC000088545228 491063871 /nfs/dbraw/zinc/06/38/71/491063871.db2.gz CPFPXVBMFOYPGU-UHFFFAOYSA-N 1 2 206.236 1.029 20 0 BDADLO CC(C)(C(=O)N1CC[C@H]1C1CC1)c1c[nH+]c[nH]1 ZINC000334689925 354478438 /nfs/dbraw/zinc/47/84/38/354478438.db2.gz OHVYHXGUHSBZGK-JTQLQIEISA-N 1 2 233.315 1.698 20 0 BDADLO COC1CN(Cc2c[nH+]c3cccc(C)n23)C1 ZINC000334732405 354531998 /nfs/dbraw/zinc/53/19/98/354531998.db2.gz BCBBKKUXXDCPBZ-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO COC1C[NH+](Cc2cnn3ccccc23)C1 ZINC000334732851 354533145 /nfs/dbraw/zinc/53/31/45/354533145.db2.gz WTMCZKASDAPVTM-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO Cc1nnc(C[N@@H+]2CC(C)=C[C@H](C)C2)[nH]1 ZINC000334710256 354506845 /nfs/dbraw/zinc/50/68/45/354506845.db2.gz LVJAWTFCZQMDAJ-QMMMGPOBSA-N 1 2 206.293 1.511 20 0 BDADLO Cc1nnc(C[N@H+]2CC(C)=C[C@H](C)C2)[nH]1 ZINC000334710256 354506848 /nfs/dbraw/zinc/50/68/48/354506848.db2.gz LVJAWTFCZQMDAJ-QMMMGPOBSA-N 1 2 206.293 1.511 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C12CCC2 ZINC000334717446 354516152 /nfs/dbraw/zinc/51/61/52/354516152.db2.gz WLZDVDFFRDLFCE-QWRGUYRKSA-N 1 2 249.314 1.406 20 0 BDADLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000334812462 354569686 /nfs/dbraw/zinc/56/96/86/354569686.db2.gz QBPDIVSJYIELRN-VXGBXAGGSA-N 1 2 242.338 1.677 20 0 BDADLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](F)C1 ZINC000334812462 354569690 /nfs/dbraw/zinc/56/96/90/354569690.db2.gz QBPDIVSJYIELRN-VXGBXAGGSA-N 1 2 242.338 1.677 20 0 BDADLO O=C1[C@@H](Nc2cccc[nH+]2)C[C@@H]2CCCCN12 ZINC000334813769 354571090 /nfs/dbraw/zinc/57/10/90/354571090.db2.gz WTWGFDFZNQWYEZ-QWRGUYRKSA-N 1 2 231.299 1.647 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)n1 ZINC000334815375 354573593 /nfs/dbraw/zinc/57/35/93/354573593.db2.gz YILQPHGAIOXTOW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)n1 ZINC000334815375 354573594 /nfs/dbraw/zinc/57/35/94/354573594.db2.gz YILQPHGAIOXTOW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCOCC12CCC2 ZINC000334754582 354576169 /nfs/dbraw/zinc/57/61/69/354576169.db2.gz BYCOCXASVNQVMG-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cnccc1C[N@H+]1CCOCC12CCC2 ZINC000334754582 354576170 /nfs/dbraw/zinc/57/61/70/354576170.db2.gz BYCOCXASVNQVMG-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO C[C@]1(F)CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000334755019 354576280 /nfs/dbraw/zinc/57/62/80/354576280.db2.gz PGWNAEZWZIGEGV-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@]1(F)CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000334755019 354576282 /nfs/dbraw/zinc/57/62/82/354576282.db2.gz PGWNAEZWZIGEGV-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000334755339 354576955 /nfs/dbraw/zinc/57/69/55/354576955.db2.gz XMISRNLVGGAFST-KCJUWKMLSA-N 1 2 236.319 1.854 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000334755339 354576956 /nfs/dbraw/zinc/57/69/56/354576956.db2.gz XMISRNLVGGAFST-KCJUWKMLSA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000334755339 354576957 /nfs/dbraw/zinc/57/69/57/354576957.db2.gz XMISRNLVGGAFST-KCJUWKMLSA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000334755339 354576958 /nfs/dbraw/zinc/57/69/58/354576958.db2.gz XMISRNLVGGAFST-KCJUWKMLSA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cs1 ZINC000334766666 354588436 /nfs/dbraw/zinc/58/84/36/354588436.db2.gz DPFCNLDOGUOKKA-JTQLQIEISA-N 1 2 240.328 1.793 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)cs1 ZINC000334766666 354588440 /nfs/dbraw/zinc/58/84/40/354588440.db2.gz DPFCNLDOGUOKKA-JTQLQIEISA-N 1 2 240.328 1.793 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000535556970 354592645 /nfs/dbraw/zinc/59/26/45/354592645.db2.gz YGPGBVYVGXASPA-GFCCVEGCSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000535556970 354592651 /nfs/dbraw/zinc/59/26/51/354592651.db2.gz YGPGBVYVGXASPA-GFCCVEGCSA-N 1 2 228.299 1.762 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334795364 354549064 /nfs/dbraw/zinc/54/90/64/354549064.db2.gz NTGSXSUQSZFHRW-UHFFFAOYSA-N 1 2 244.298 1.758 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334795364 354549069 /nfs/dbraw/zinc/54/90/69/354549069.db2.gz NTGSXSUQSZFHRW-UHFFFAOYSA-N 1 2 244.298 1.758 20 0 BDADLO COC1(C)CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000334796684 354550743 /nfs/dbraw/zinc/55/07/43/354550743.db2.gz HKJGWDYACVWNNC-UHFFFAOYSA-N 1 2 249.314 1.951 20 0 BDADLO COCc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000179221944 366225888 /nfs/dbraw/zinc/22/58/88/366225888.db2.gz AWJQTINJDDNBLD-UHFFFAOYSA-N 1 2 248.326 1.107 20 0 BDADLO COCc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000179221944 366225899 /nfs/dbraw/zinc/22/58/99/366225899.db2.gz AWJQTINJDDNBLD-UHFFFAOYSA-N 1 2 248.326 1.107 20 0 BDADLO C[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1F ZINC000335091209 354627026 /nfs/dbraw/zinc/62/70/26/354627026.db2.gz LFLMNNZCSIRNKX-GXFFZTMASA-N 1 2 247.273 1.699 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCO[C@@H](C)C1 ZINC000335097475 354637530 /nfs/dbraw/zinc/63/75/30/354637530.db2.gz DHZHFYISONDICK-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CC[C@@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345426803 354654701 /nfs/dbraw/zinc/65/47/01/354654701.db2.gz KKFIJUDHHHNIMV-NEPJUHHUSA-N 1 2 242.363 1.212 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1ncnn1CC ZINC000639205135 354665813 /nfs/dbraw/zinc/66/58/13/354665813.db2.gz HSEQIRFKORHQLD-UHFFFAOYSA-N 1 2 249.318 1.447 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345690955 354732989 /nfs/dbraw/zinc/73/29/89/354732989.db2.gz CGTNYDQFVHTMKA-ZJUUUORDSA-N 1 2 248.317 1.878 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(CO)c1 ZINC000345640490 354721705 /nfs/dbraw/zinc/72/17/05/354721705.db2.gz JNTKXDXBKGVKHM-UHFFFAOYSA-N 1 2 245.282 1.473 20 0 BDADLO CC(C)(C(=O)NCc1ccncc1)c1c[nH]c[nH+]1 ZINC000345641550 354722424 /nfs/dbraw/zinc/72/24/24/354722424.db2.gz LSOQBDXFUSGVHT-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO C[C@@H](C(=O)N[C@@H](C)C(C)(F)F)[NH+]1CC(C)C1 ZINC000578082612 366231226 /nfs/dbraw/zinc/23/12/26/366231226.db2.gz VZVZUEWOIWZVPE-IUCAKERBSA-N 1 2 234.290 1.487 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345729798 354745800 /nfs/dbraw/zinc/74/58/00/354745800.db2.gz FHSZTMTWMKRZMY-BDAKNGLRSA-N 1 2 234.290 1.392 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCOC1 ZINC000335134898 354783627 /nfs/dbraw/zinc/78/36/27/354783627.db2.gz NUHXQHBORGLBGB-GFCCVEGCSA-N 1 2 220.272 1.177 20 0 BDADLO O=C(CC[N@H+]1CCC(F)(F)C1)NC1CCCC1 ZINC000345933885 354812636 /nfs/dbraw/zinc/81/26/36/354812636.db2.gz NWQUZGABHGXTLJ-UHFFFAOYSA-N 1 2 246.301 1.776 20 0 BDADLO O=C(CC[N@@H+]1CCC(F)(F)C1)NC1CCCC1 ZINC000345933885 354812637 /nfs/dbraw/zinc/81/26/37/354812637.db2.gz NWQUZGABHGXTLJ-UHFFFAOYSA-N 1 2 246.301 1.776 20 0 BDADLO CC(C)[N@H+]([C@@H](c1nccn1C)C1CC1)C1COC1 ZINC000639215652 354820035 /nfs/dbraw/zinc/82/00/35/354820035.db2.gz FATOHUACBPQSEI-CYBMUJFWSA-N 1 2 249.358 1.980 20 0 BDADLO CC(C)[N@@H+]([C@@H](c1nccn1C)C1CC1)C1COC1 ZINC000639215652 354820036 /nfs/dbraw/zinc/82/00/36/354820036.db2.gz FATOHUACBPQSEI-CYBMUJFWSA-N 1 2 249.358 1.980 20 0 BDADLO Cc1ccccc1C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000335945322 134019839 /nfs/dbraw/zinc/01/98/39/134019839.db2.gz XBNRQWYGBGCINX-LRDDRELGSA-N 1 2 237.368 1.948 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCC[C@H]1SCC ZINC000233657964 363404757 /nfs/dbraw/zinc/40/47/57/363404757.db2.gz NQDGBVOIQFCXIL-VHSXEESVSA-N 1 2 231.361 1.813 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)NC(C)C)n1 ZINC000346429019 354929299 /nfs/dbraw/zinc/92/92/99/354929299.db2.gz FOVMCFJLRXASHR-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)NC(C)C)n1 ZINC000346429019 354929304 /nfs/dbraw/zinc/92/93/04/354929304.db2.gz FOVMCFJLRXASHR-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCc2ccsc2C1 ZINC000346445501 354941598 /nfs/dbraw/zinc/94/15/98/354941598.db2.gz MUUPDGIADKCRDA-MRVPVSSYSA-N 1 2 249.343 1.391 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCc2ccsc2C1 ZINC000346445501 354941600 /nfs/dbraw/zinc/94/16/00/354941600.db2.gz MUUPDGIADKCRDA-MRVPVSSYSA-N 1 2 249.343 1.391 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCc2ccsc2C1 ZINC000346445502 354942552 /nfs/dbraw/zinc/94/25/52/354942552.db2.gz MUUPDGIADKCRDA-QMMMGPOBSA-N 1 2 249.343 1.391 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCc2ccsc2C1 ZINC000346445502 354942555 /nfs/dbraw/zinc/94/25/55/354942555.db2.gz MUUPDGIADKCRDA-QMMMGPOBSA-N 1 2 249.343 1.391 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000335178030 354948457 /nfs/dbraw/zinc/94/84/57/354948457.db2.gz UHPWTCPZUKXGSR-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000335178030 354948461 /nfs/dbraw/zinc/94/84/61/354948461.db2.gz UHPWTCPZUKXGSR-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO COC(=O)C[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000366944740 354956029 /nfs/dbraw/zinc/95/60/29/354956029.db2.gz OAFPQPLVQPZLLC-UHFFFAOYSA-N 1 2 237.303 1.071 20 0 BDADLO C[C@@H](CCC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC000346522693 354974853 /nfs/dbraw/zinc/97/48/53/354974853.db2.gz DOWWMVFWFLAKPG-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CC1(C)CCN(c2cccc[nH+]2)CC[S@@]1=O ZINC000335200662 355034599 /nfs/dbraw/zinc/03/45/99/355034599.db2.gz YUZGUTOPLYODST-INIZCTEOSA-N 1 2 238.356 1.819 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335202742 355036996 /nfs/dbraw/zinc/03/69/96/355036996.db2.gz MFCDDLAIMQLRGX-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335202742 355036998 /nfs/dbraw/zinc/03/69/98/355036998.db2.gz MFCDDLAIMQLRGX-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335207859 355044330 /nfs/dbraw/zinc/04/43/30/355044330.db2.gz LNNBQZNBJKVERB-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335227286 355069362 /nfs/dbraw/zinc/06/93/62/355069362.db2.gz GWLWGMIDWYBSAX-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335227286 355069366 /nfs/dbraw/zinc/06/93/66/355069366.db2.gz GWLWGMIDWYBSAX-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO C[C@@H]1CC[N@H+](CCC(F)(F)F)CC[S@]1=O ZINC000335228731 355070893 /nfs/dbraw/zinc/07/08/93/355070893.db2.gz MCFDJCBIQSTQLZ-ANRSDYALSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@@H]1CC[N@@H+](CCC(F)(F)F)CC[S@]1=O ZINC000335228731 355070896 /nfs/dbraw/zinc/07/08/96/355070896.db2.gz MCFDJCBIQSTQLZ-ANRSDYALSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@H]1CC[N@H+](CCC(F)(F)F)CC[S@@]1=O ZINC000335228732 355070913 /nfs/dbraw/zinc/07/09/13/355070913.db2.gz MCFDJCBIQSTQLZ-AYVTZFPOSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@H]1CC[N@@H+](CCC(F)(F)F)CC[S@@]1=O ZINC000335228732 355070915 /nfs/dbraw/zinc/07/09/15/355070915.db2.gz MCFDJCBIQSTQLZ-AYVTZFPOSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@H]1CC[N@H+](CCC(F)(F)F)CC[S@]1=O ZINC000335228729 355070986 /nfs/dbraw/zinc/07/09/86/355070986.db2.gz MCFDJCBIQSTQLZ-VXJOIVPMSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@H]1CC[N@@H+](CCC(F)(F)F)CC[S@]1=O ZINC000335228729 355070989 /nfs/dbraw/zinc/07/09/89/355070989.db2.gz MCFDJCBIQSTQLZ-VXJOIVPMSA-N 1 2 243.294 1.782 20 0 BDADLO Cc1ccc(Cn2cnccc2=O)c(C)[nH+]1 ZINC000335217382 355055681 /nfs/dbraw/zinc/05/56/81/355055681.db2.gz HJXRCADUGJIXJQ-UHFFFAOYSA-N 1 2 215.256 1.303 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CS[C@H](C)C2)c[nH+]1 ZINC000335218936 355057896 /nfs/dbraw/zinc/05/78/96/355057896.db2.gz HSLNWDNMILJCGL-HTRCEHHLSA-N 1 2 225.317 1.342 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccco1 ZINC000335975958 134031525 /nfs/dbraw/zinc/03/15/25/134031525.db2.gz GLGIIEFZWDBVII-UHFFFAOYSA-N 1 2 216.240 1.911 20 0 BDADLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)ncn1 ZINC000346789351 355116762 /nfs/dbraw/zinc/11/67/62/355116762.db2.gz XFRIVXSZOUZQFR-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO COc1cc(COCc2[nH]cc[nH+]2)ccn1 ZINC000346745287 355091209 /nfs/dbraw/zinc/09/12/09/355091209.db2.gz MXPPJCIMMPVQEI-UHFFFAOYSA-N 1 2 219.244 1.530 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12CC[C@@H](C)C2 ZINC000335246697 355161384 /nfs/dbraw/zinc/16/13/84/355161384.db2.gz OTGCBRLRPRBNCC-PWSUYJOCSA-N 1 2 210.321 1.591 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@@]12CC[C@@H](C)C2 ZINC000335246697 355161388 /nfs/dbraw/zinc/16/13/88/355161388.db2.gz OTGCBRLRPRBNCC-PWSUYJOCSA-N 1 2 210.321 1.591 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000346837335 355131703 /nfs/dbraw/zinc/13/17/03/355131703.db2.gz XSYFPXMNTVSFOT-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000346837335 355131705 /nfs/dbraw/zinc/13/17/05/355131705.db2.gz XSYFPXMNTVSFOT-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000335249234 355168311 /nfs/dbraw/zinc/16/83/11/355168311.db2.gz IYVVXKPPOHXAIP-VXNVDRBHSA-N 1 2 225.317 1.154 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)C[C@H]1CCCCO1 ZINC000346847251 355136741 /nfs/dbraw/zinc/13/67/41/355136741.db2.gz OPXMKXCLZZHPLY-GHMZBOCLSA-N 1 2 238.335 1.377 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000346847251 355136744 /nfs/dbraw/zinc/13/67/44/355136744.db2.gz OPXMKXCLZZHPLY-GHMZBOCLSA-N 1 2 238.335 1.377 20 0 BDADLO Cn1ccc(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000346850433 355138035 /nfs/dbraw/zinc/13/80/35/355138035.db2.gz KOSUNBKGVUUUJI-UHFFFAOYSA-N 1 2 240.266 1.925 20 0 BDADLO CC(=O)[C@H](C)SCC[N@@H+]1CCO[C@H](C)C1 ZINC000412994308 191332939 /nfs/dbraw/zinc/33/29/39/191332939.db2.gz ARGUPDLLBZYMAR-KOLCDFICSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@H](C)SCC[N@H+]1CCO[C@H](C)C1 ZINC000412994308 191332942 /nfs/dbraw/zinc/33/29/42/191332942.db2.gz ARGUPDLLBZYMAR-KOLCDFICSA-N 1 2 231.361 1.418 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2c(c1)C(=O)NC2 ZINC000335258449 355197012 /nfs/dbraw/zinc/19/70/12/355197012.db2.gz WLMCURAXSZGLBZ-UHFFFAOYSA-N 1 2 243.266 1.243 20 0 BDADLO CCCN(CCO)c1cc(NC2CC2)[nH+]cn1 ZINC000413157946 191358960 /nfs/dbraw/zinc/35/89/60/191358960.db2.gz URCQLPWLNZBPOX-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CCCN(CCO)c1cc(NC2CC2)nc[nH+]1 ZINC000413157946 191358963 /nfs/dbraw/zinc/35/89/63/191358963.db2.gz URCQLPWLNZBPOX-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO c1nc(N[C@H]2CCSC2)cc(NC2CC2)[nH+]1 ZINC000413171521 191361578 /nfs/dbraw/zinc/36/15/78/191361578.db2.gz QGANNTFVYPMPRQ-VIFPVBQESA-N 1 2 236.344 1.968 20 0 BDADLO CC[C@@H]1C[N@H+](CCNC(=O)CC(C)C)CCO1 ZINC000347633403 355242818 /nfs/dbraw/zinc/24/28/18/355242818.db2.gz QHLJMISHDIIACI-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H]1C[N@@H+](CCNC(=O)CC(C)C)CCO1 ZINC000347633403 355242820 /nfs/dbraw/zinc/24/28/20/355242820.db2.gz QHLJMISHDIIACI-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO c1nc(NC2CC2)cc(N[C@H]2CCSC2)[nH+]1 ZINC000413171521 191361581 /nfs/dbraw/zinc/36/15/81/191361581.db2.gz QGANNTFVYPMPRQ-VIFPVBQESA-N 1 2 236.344 1.968 20 0 BDADLO CCOCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413060586 191351874 /nfs/dbraw/zinc/35/18/74/191351874.db2.gz LDGCGOSFXYWTKS-UHFFFAOYSA-N 1 2 222.292 1.499 20 0 BDADLO CCOCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413060586 191351876 /nfs/dbraw/zinc/35/18/76/191351876.db2.gz LDGCGOSFXYWTKS-UHFFFAOYSA-N 1 2 222.292 1.499 20 0 BDADLO CC[C@@](C)(C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000639235214 355217979 /nfs/dbraw/zinc/21/79/79/355217979.db2.gz QCNQZXRKXNPKPN-ONGXEEELSA-N 1 2 239.306 1.749 20 0 BDADLO CC[C@@](C)(C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000639235214 355217983 /nfs/dbraw/zinc/21/79/83/355217983.db2.gz QCNQZXRKXNPKPN-ONGXEEELSA-N 1 2 239.306 1.749 20 0 BDADLO COC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413037936 191353073 /nfs/dbraw/zinc/35/30/73/191353073.db2.gz RXZNVMXNGLSXLU-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO COC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413037936 191353075 /nfs/dbraw/zinc/35/30/75/191353075.db2.gz RXZNVMXNGLSXLU-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO CC[C@@](C)(C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639235212 355218091 /nfs/dbraw/zinc/21/80/91/355218091.db2.gz QCNQZXRKXNPKPN-KOLCDFICSA-N 1 2 239.306 1.749 20 0 BDADLO CC[C@@](C)(C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639235212 355218094 /nfs/dbraw/zinc/21/80/94/355218094.db2.gz QCNQZXRKXNPKPN-KOLCDFICSA-N 1 2 239.306 1.749 20 0 BDADLO CC(C)c1nc(N[C@@H](C)c2ccn(C)n2)cc[nH+]1 ZINC000413462749 191382418 /nfs/dbraw/zinc/38/24/18/191382418.db2.gz QNHPPONRUHQDGJ-JTQLQIEISA-N 1 2 245.330 1.929 20 0 BDADLO CCn1ccc(CNc2cc[nH+]c(C)n2)n1 ZINC000413497661 191390060 /nfs/dbraw/zinc/39/00/60/191390060.db2.gz WOXIAKFOHYJSEP-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCCc3cn[nH]c32)o1 ZINC000623221135 355274299 /nfs/dbraw/zinc/27/42/99/355274299.db2.gz IICCIWGGHLVEDG-NSHDSACASA-N 1 2 232.287 1.873 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000623221135 355274300 /nfs/dbraw/zinc/27/43/00/355274300.db2.gz IICCIWGGHLVEDG-NSHDSACASA-N 1 2 232.287 1.873 20 0 BDADLO c1nc(N[C@@H]2CCOC2)cc(NC2CC2)[nH+]1 ZINC000413212153 191364470 /nfs/dbraw/zinc/36/44/70/191364470.db2.gz XSRZFLBEUABIGR-SECBINFHSA-N 1 2 220.276 1.252 20 0 BDADLO c1nc(NC2CC2)cc(N[C@@H]2CCOC2)[nH+]1 ZINC000413212153 191364472 /nfs/dbraw/zinc/36/44/72/191364472.db2.gz XSRZFLBEUABIGR-SECBINFHSA-N 1 2 220.276 1.252 20 0 BDADLO O[C@H](CNc1cc(NC2CC2)nc[nH+]1)C(F)F ZINC000413273049 191368441 /nfs/dbraw/zinc/36/84/41/191368441.db2.gz SBXANKRWUFGEAP-SSDOTTSWSA-N 1 2 244.245 1.089 20 0 BDADLO O[C@H](CNc1cc(NC2CC2)[nH+]cn1)C(F)F ZINC000413273049 191368444 /nfs/dbraw/zinc/36/84/44/191368444.db2.gz SBXANKRWUFGEAP-SSDOTTSWSA-N 1 2 244.245 1.089 20 0 BDADLO Cc1cc(NC[C@H]2CCOC(C)(C)C2)nc[nH+]1 ZINC000413344286 191373852 /nfs/dbraw/zinc/37/38/52/191373852.db2.gz YHZFZODQCIRWHR-NSHDSACASA-N 1 2 235.331 1.824 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000639253507 355291180 /nfs/dbraw/zinc/29/11/80/355291180.db2.gz HWASOTXGDFGOGQ-UHFFFAOYSA-N 1 2 249.339 1.705 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH+]1CC(C)(O)C1 ZINC000639253606 355291791 /nfs/dbraw/zinc/29/17/91/355291791.db2.gz KWCUVWSCARZWOM-UHFFFAOYSA-N 1 2 235.331 1.254 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CC(C)(CO)C1 ZINC000639254859 355294724 /nfs/dbraw/zinc/29/47/24/355294724.db2.gz DKVHTVOWTTWLDT-LLVKDONJSA-N 1 2 235.331 1.185 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000394967534 355331386 /nfs/dbraw/zinc/33/13/86/355331386.db2.gz SFWZYLMEDICUKY-VIFPVBQESA-N 1 2 241.335 1.613 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000394967534 355331389 /nfs/dbraw/zinc/33/13/89/355331389.db2.gz SFWZYLMEDICUKY-VIFPVBQESA-N 1 2 241.335 1.613 20 0 BDADLO Cc1cc(N(C[C@H]2CCC(=O)N2)C(C)C)nc[nH+]1 ZINC000413599905 191399003 /nfs/dbraw/zinc/39/90/03/191399003.db2.gz XTFSOICPCWWXHB-LLVKDONJSA-N 1 2 248.330 1.278 20 0 BDADLO CCOC1CN([C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639249461 355278814 /nfs/dbraw/zinc/27/88/14/355278814.db2.gz CPSFWWJFEDQXEU-LBPRGKRZSA-N 1 2 235.331 1.592 20 0 BDADLO CN1CCN(c2cc3ccccc3c[nH+]2)CC1=O ZINC000631127487 355387452 /nfs/dbraw/zinc/38/74/52/355387452.db2.gz UCMJXMNVDJNQTJ-UHFFFAOYSA-N 1 2 241.294 1.513 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ncccc1C(F)(F)F ZINC000349839068 355491124 /nfs/dbraw/zinc/49/11/24/355491124.db2.gz JYOFVSHDVNVWJZ-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ncccc1C(F)(F)F ZINC000349839068 355491128 /nfs/dbraw/zinc/49/11/28/355491128.db2.gz JYOFVSHDVNVWJZ-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO CCOC1CC(COCc2[nH]cc[nH+]2)C1 ZINC000349820123 355469328 /nfs/dbraw/zinc/46/93/28/355469328.db2.gz TZWRYLVPNMOGQM-UHFFFAOYSA-N 1 2 210.277 1.741 20 0 BDADLO CC(C)OCC[C@H](O)C[N@H+](C)CC(F)F ZINC000349899898 355522391 /nfs/dbraw/zinc/52/23/91/355522391.db2.gz WVOCCOYERJTEJC-VIFPVBQESA-N 1 2 225.279 1.359 20 0 BDADLO CC(C)OCC[C@H](O)C[N@@H+](C)CC(F)F ZINC000349899898 355522394 /nfs/dbraw/zinc/52/23/94/355522394.db2.gz WVOCCOYERJTEJC-VIFPVBQESA-N 1 2 225.279 1.359 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2cncs2)c[nH+]1 ZINC000352039128 134045640 /nfs/dbraw/zinc/04/56/40/134045640.db2.gz OGTRLVMIIXSUPH-ZCFIWIBFSA-N 1 2 236.300 1.666 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000330947103 181202739 /nfs/dbraw/zinc/20/27/39/181202739.db2.gz HYZPQTJRUIUOQW-JTQLQIEISA-N 1 2 221.260 1.070 20 0 BDADLO NC(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000330947103 181202741 /nfs/dbraw/zinc/20/27/41/181202741.db2.gz HYZPQTJRUIUOQW-JTQLQIEISA-N 1 2 221.260 1.070 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CCC[C@H](F)C2)c[nH]1 ZINC000582186114 355660539 /nfs/dbraw/zinc/66/05/39/355660539.db2.gz NGKSFFNQQRSMBH-JTQLQIEISA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CCC[C@H](F)C2)c[nH]1 ZINC000582186114 355660542 /nfs/dbraw/zinc/66/05/42/355660542.db2.gz NGKSFFNQQRSMBH-JTQLQIEISA-N 1 2 240.278 1.735 20 0 BDADLO COCCC1C[NH+](Cc2ncnn2C(C)C)C1 ZINC000639306390 355660951 /nfs/dbraw/zinc/66/09/51/355660951.db2.gz OSXNPCQQRAEMEP-UHFFFAOYSA-N 1 2 238.335 1.327 20 0 BDADLO CO[C@@](C)(C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000639309098 355664904 /nfs/dbraw/zinc/66/49/04/355664904.db2.gz KNQOZHOJVGGGIK-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@](C)(C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000639309098 355664907 /nfs/dbraw/zinc/66/49/07/355664907.db2.gz KNQOZHOJVGGGIK-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H](CNC(=O)C1=CCCC1)Cn1cc[nH+]c1 ZINC000350182116 355622095 /nfs/dbraw/zinc/62/20/95/355622095.db2.gz XAFDHBQVLZHUCL-NSHDSACASA-N 1 2 233.315 1.746 20 0 BDADLO CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000335866510 355631007 /nfs/dbraw/zinc/63/10/07/355631007.db2.gz JXKBJSPVROQQLD-UHFFFAOYSA-N 1 2 231.299 1.664 20 0 BDADLO COC[C@@H](C)C[N@@H+]1Cc2cnn(C)c2C1 ZINC000639320439 355721301 /nfs/dbraw/zinc/72/13/01/355721301.db2.gz MBSHVTIEEWWRQF-VIFPVBQESA-N 1 2 209.293 1.018 20 0 BDADLO COC[C@@H](C)C[N@H+]1Cc2cnn(C)c2C1 ZINC000639320439 355721302 /nfs/dbraw/zinc/72/13/02/355721302.db2.gz MBSHVTIEEWWRQF-VIFPVBQESA-N 1 2 209.293 1.018 20 0 BDADLO CO[C@H](C[N@@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639321135 355722028 /nfs/dbraw/zinc/72/20/28/355722028.db2.gz IAFMDNJMFPLCCT-GFCCVEGCSA-N 1 2 221.304 1.161 20 0 BDADLO CO[C@H](C[N@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639321135 355722030 /nfs/dbraw/zinc/72/20/30/355722030.db2.gz IAFMDNJMFPLCCT-GFCCVEGCSA-N 1 2 221.304 1.161 20 0 BDADLO CO[C@](C)(C[N@@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639318726 355712440 /nfs/dbraw/zinc/71/24/40/355712440.db2.gz AIECNNUTONRIBS-CYBMUJFWSA-N 1 2 235.331 1.551 20 0 BDADLO CO[C@](C)(C[N@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639318726 355712443 /nfs/dbraw/zinc/71/24/43/355712443.db2.gz AIECNNUTONRIBS-CYBMUJFWSA-N 1 2 235.331 1.551 20 0 BDADLO Cn1ncc2c1C[N@H+](CCC[C@H]1CCO1)C2 ZINC000639323103 355714445 /nfs/dbraw/zinc/71/44/45/355714445.db2.gz VOBIAHNKVCDJBA-NSHDSACASA-N 1 2 221.304 1.305 20 0 BDADLO Cn1ncc2c1C[N@@H+](CCC[C@H]1CCO1)C2 ZINC000639323103 355714447 /nfs/dbraw/zinc/71/44/47/355714447.db2.gz VOBIAHNKVCDJBA-NSHDSACASA-N 1 2 221.304 1.305 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000336405071 181205399 /nfs/dbraw/zinc/20/53/99/181205399.db2.gz SFDHRMJYHKPLBR-SNVBAGLBSA-N 1 2 223.251 1.720 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000336405071 181205400 /nfs/dbraw/zinc/20/54/00/181205400.db2.gz SFDHRMJYHKPLBR-SNVBAGLBSA-N 1 2 223.251 1.720 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000335887121 355678864 /nfs/dbraw/zinc/67/88/64/355678864.db2.gz HAPZICHCPTXFLS-VHSXEESVSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncnn1C(C)(C)C ZINC000335887121 355678866 /nfs/dbraw/zinc/67/88/66/355678866.db2.gz HAPZICHCPTXFLS-VHSXEESVSA-N 1 2 222.336 1.873 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000639311484 355682976 /nfs/dbraw/zinc/68/29/76/355682976.db2.gz ZZLSWKZWNFAUMK-ONGXEEELSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000639311484 355682980 /nfs/dbraw/zinc/68/29/80/355682980.db2.gz ZZLSWKZWNFAUMK-ONGXEEELSA-N 1 2 241.335 1.871 20 0 BDADLO CC(C)c1nc(N2C[C@H](O)C[C@@H]2C)cc[nH+]1 ZINC000350684900 355741376 /nfs/dbraw/zinc/74/13/76/355741376.db2.gz MHZIZLPXVCTDKF-VHSXEESVSA-N 1 2 221.304 1.560 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)C[C@H]2C)[nH+]1 ZINC000350703843 355744433 /nfs/dbraw/zinc/74/44/33/355744433.db2.gz VUXZLHZWYBNWHT-VXNVDRBHSA-N 1 2 232.287 1.226 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000639333636 355763356 /nfs/dbraw/zinc/76/33/56/355763356.db2.gz YITAVGRMXFSBID-ZWNOBZJWSA-N 1 2 246.314 1.027 20 0 BDADLO Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)s1 ZINC000639336058 355768510 /nfs/dbraw/zinc/76/85/10/355768510.db2.gz DVDUXLGIWZSZAJ-LLVKDONJSA-N 1 2 240.372 1.165 20 0 BDADLO Cc1ccc(CN2CC[N@H+](C)C[C@@H]2CO)s1 ZINC000639336058 355768512 /nfs/dbraw/zinc/76/85/12/355768512.db2.gz DVDUXLGIWZSZAJ-LLVKDONJSA-N 1 2 240.372 1.165 20 0 BDADLO COc1cc(C[NH2+]Cc2cnc(C)o2)on1 ZINC000639325736 355725275 /nfs/dbraw/zinc/72/52/75/355725275.db2.gz ONDFHQJPQQGQSQ-UHFFFAOYSA-N 1 2 223.232 1.269 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cnn[nH]2)c(C)n1 ZINC000639341918 355783628 /nfs/dbraw/zinc/78/36/28/355783628.db2.gz PUWACPBKUFPAPY-ZETCQYMHSA-N 1 2 232.291 1.062 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@@H]2CCCOC2)c1 ZINC000639366054 355841610 /nfs/dbraw/zinc/84/16/10/355841610.db2.gz TYWBDCYTTMAJRL-SNVBAGLBSA-N 1 2 221.304 1.739 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000536606815 355845177 /nfs/dbraw/zinc/84/51/77/355845177.db2.gz PUEXNNVXSMSLBP-WCQYABFASA-N 1 2 241.331 1.487 20 0 BDADLO CCCC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255196 355856504 /nfs/dbraw/zinc/85/65/04/355856504.db2.gz UDHOHGYOJCBFHB-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000336055046 134065946 /nfs/dbraw/zinc/06/59/46/134065946.db2.gz YVIPNOBHYKGPIQ-WDEREUQCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000336055046 134065947 /nfs/dbraw/zinc/06/59/47/134065947.db2.gz YVIPNOBHYKGPIQ-WDEREUQCSA-N 1 2 225.288 1.170 20 0 BDADLO COc1cccc(C[NH2+]C2(C)COC2)c1F ZINC000639380546 355917915 /nfs/dbraw/zinc/91/79/15/355917915.db2.gz FWJQYAXMUKPDFR-UHFFFAOYSA-N 1 2 225.263 1.713 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000351488569 355999146 /nfs/dbraw/zinc/99/91/46/355999146.db2.gz AVRIELWHSSBGRC-LOWVWBTDSA-N 1 2 243.347 1.469 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2ccon2)C1 ZINC000639383246 355943820 /nfs/dbraw/zinc/94/38/20/355943820.db2.gz WPBSJCCVPTWRLZ-UHFFFAOYSA-N 1 2 222.288 1.533 20 0 BDADLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000351151350 355954585 /nfs/dbraw/zinc/95/45/85/355954585.db2.gz XIXAPVHCMABWBX-ZYHUDNBSSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000351151350 355954593 /nfs/dbraw/zinc/95/45/93/355954593.db2.gz XIXAPVHCMABWBX-ZYHUDNBSSA-N 1 2 240.347 1.010 20 0 BDADLO NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000022149658 181237023 /nfs/dbraw/zinc/23/70/23/181237023.db2.gz DXUNOKXEBZMGTK-AWEZNQCLSA-N 1 2 241.294 1.246 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1conc1C ZINC000351685845 356057327 /nfs/dbraw/zinc/05/73/27/356057327.db2.gz GMYPNWHMCSVLPZ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1conc1C ZINC000351685845 356057330 /nfs/dbraw/zinc/05/73/30/356057330.db2.gz GMYPNWHMCSVLPZ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO COCc1cc(C[NH+]2CC(C)(C)C2)no1 ZINC000639392905 356061192 /nfs/dbraw/zinc/06/11/92/356061192.db2.gz BYDDKENLAFZZRT-UHFFFAOYSA-N 1 2 210.277 1.663 20 0 BDADLO NC(=O)C[NH+]1CCC(=Cc2ccccc2)CC1 ZINC000361018987 181231393 /nfs/dbraw/zinc/23/13/93/181231393.db2.gz QPFBIOCYRZPNLK-UHFFFAOYSA-N 1 2 230.311 1.651 20 0 BDADLO Cc1cc(NCCC(=O)OC(C)(C)C)nc[nH+]1 ZINC000351881267 356115323 /nfs/dbraw/zinc/11/53/23/356115323.db2.gz UABCFWQWILAAFK-UHFFFAOYSA-N 1 2 237.303 1.351 20 0 BDADLO Cc1ncc(C[N@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000351718845 356069241 /nfs/dbraw/zinc/06/92/41/356069241.db2.gz KCMLADZRTAWCEZ-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO Cc1ncc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000351718845 356069244 /nfs/dbraw/zinc/06/92/44/356069244.db2.gz KCMLADZRTAWCEZ-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)CC2)[nH]1 ZINC000335914819 356152573 /nfs/dbraw/zinc/15/25/73/356152573.db2.gz TVIZYNMFXHVJOZ-MRVPVSSYSA-N 1 2 226.349 1.441 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)CC2)[nH]1 ZINC000335914819 356152574 /nfs/dbraw/zinc/15/25/74/356152574.db2.gz TVIZYNMFXHVJOZ-MRVPVSSYSA-N 1 2 226.349 1.441 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C12CCC(CC1)C2 ZINC000623261867 356160756 /nfs/dbraw/zinc/16/07/56/356160756.db2.gz FMSHTIOTJJEEBM-IQLKVPPVSA-N 1 2 245.326 1.504 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262112 356162337 /nfs/dbraw/zinc/16/23/37/356162337.db2.gz OPVCPZDGUJHNDT-GHMZBOCLSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@H]2C(C)C)on1 ZINC000335919062 356165827 /nfs/dbraw/zinc/16/58/27/356165827.db2.gz ITIUVUABINHEMV-ZDUSSCGKSA-N 1 2 237.347 1.755 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2C(C)C)on1 ZINC000335919062 356165829 /nfs/dbraw/zinc/16/58/29/356165829.db2.gz ITIUVUABINHEMV-ZDUSSCGKSA-N 1 2 237.347 1.755 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262688 356171840 /nfs/dbraw/zinc/17/18/40/356171840.db2.gz LQQJYNLZHSOPHC-HBNTYKKESA-N 1 2 235.331 1.606 20 0 BDADLO CC(C)C(=O)N1CC[NH+](Cc2cccn2C)CC1 ZINC000335913244 356142328 /nfs/dbraw/zinc/14/23/28/356142328.db2.gz FOTXDJVRULYMJY-UHFFFAOYSA-N 1 2 249.358 1.325 20 0 BDADLO C[N@H+](Cc1ccco1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639434933 356213487 /nfs/dbraw/zinc/21/34/87/356213487.db2.gz LKKGMAJCWXGLSE-CYBMUJFWSA-N 1 2 248.326 1.865 20 0 BDADLO C[N@@H+](Cc1ccco1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639434933 356213490 /nfs/dbraw/zinc/21/34/90/356213490.db2.gz LKKGMAJCWXGLSE-CYBMUJFWSA-N 1 2 248.326 1.865 20 0 BDADLO Cc1cc(C)c(C[NH+]2CCOCC2)c(C)n1 ZINC000639435419 356214309 /nfs/dbraw/zinc/21/43/09/356214309.db2.gz JPBOWPDLOJJQSJ-UHFFFAOYSA-N 1 2 220.316 1.839 20 0 BDADLO CC(=O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000639437438 356215831 /nfs/dbraw/zinc/21/58/31/356215831.db2.gz DXKPUWLWEKCFFN-UHFFFAOYSA-N 1 2 232.327 1.706 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(C(N)=O)CC1 ZINC000639444562 356223467 /nfs/dbraw/zinc/22/34/67/356223467.db2.gz NIFPXJIBPCXALQ-UHFFFAOYSA-N 1 2 220.263 1.229 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C(C1CC1)C1CC1 ZINC000623263462 356201282 /nfs/dbraw/zinc/20/12/82/356201282.db2.gz NMFIYAGFOAVQJI-NSHDSACASA-N 1 2 245.326 1.360 20 0 BDADLO CCC(F)(F)C[N@H+](C)CCC(=O)NC ZINC000639470349 356258748 /nfs/dbraw/zinc/25/87/48/356258748.db2.gz BAPWDMUVLLGLFB-UHFFFAOYSA-N 1 2 208.252 1.100 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CCC(=O)NC ZINC000639470349 356258750 /nfs/dbraw/zinc/25/87/50/356258750.db2.gz BAPWDMUVLLGLFB-UHFFFAOYSA-N 1 2 208.252 1.100 20 0 BDADLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000639474682 356268958 /nfs/dbraw/zinc/26/89/58/356268958.db2.gz UUWASDDMPRFBKG-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000639474682 356268963 /nfs/dbraw/zinc/26/89/63/356268963.db2.gz UUWASDDMPRFBKG-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CCn1c[nH+]cc1[C@H]1NC(C)(C)C(=O)N1CC ZINC000333238496 356270725 /nfs/dbraw/zinc/27/07/25/356270725.db2.gz ZNGBLGNYCFMLNO-JTQLQIEISA-N 1 2 236.319 1.132 20 0 BDADLO CCN1CC[N@H+](Cc2ccn(C)c2)[C@@H](C)C1=O ZINC000336116616 134088475 /nfs/dbraw/zinc/08/84/75/134088475.db2.gz NRCCEBVSCRPAHO-NSHDSACASA-N 1 2 235.331 1.078 20 0 BDADLO CCN1CC[N@@H+](Cc2ccn(C)c2)[C@@H](C)C1=O ZINC000336116616 134088476 /nfs/dbraw/zinc/08/84/76/134088476.db2.gz NRCCEBVSCRPAHO-NSHDSACASA-N 1 2 235.331 1.078 20 0 BDADLO CC[C@@]1(O)CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000336119295 134089634 /nfs/dbraw/zinc/08/96/34/134089634.db2.gz ZABNMWBTRKPQRU-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)C ZINC000617741325 356307468 /nfs/dbraw/zinc/30/74/68/356307468.db2.gz LOUZHOVNTBVRPW-MNOVXSKESA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)C ZINC000617741325 356307470 /nfs/dbraw/zinc/30/74/70/356307470.db2.gz LOUZHOVNTBVRPW-MNOVXSKESA-N 1 2 242.363 1.258 20 0 BDADLO Cc1cnc(C[N@@H+]2CCS[C@H](C)C2)nc1 ZINC000336133647 134095261 /nfs/dbraw/zinc/09/52/61/134095261.db2.gz OEHJROACFLZTMC-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO Cc1cnc(C[N@H+]2CCS[C@H](C)C2)nc1 ZINC000336133647 134095262 /nfs/dbraw/zinc/09/52/62/134095262.db2.gz OEHJROACFLZTMC-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CCCCCC1 ZINC000623267978 356334983 /nfs/dbraw/zinc/33/49/83/356334983.db2.gz CKVPQXDYWXVGLU-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO CCCC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000352410927 356341446 /nfs/dbraw/zinc/34/14/46/356341446.db2.gz UPGFAZZGCXLJTD-QMMMGPOBSA-N 1 2 212.297 1.521 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336138505 134096546 /nfs/dbraw/zinc/09/65/46/134096546.db2.gz XCWXCYWFDXPBNN-UWVGGRQHSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336138505 134096547 /nfs/dbraw/zinc/09/65/47/134096547.db2.gz XCWXCYWFDXPBNN-UWVGGRQHSA-N 1 2 221.291 1.980 20 0 BDADLO COCC[N@H+](CC(C)=O)Cc1ccc(C)o1 ZINC000639517749 356359349 /nfs/dbraw/zinc/35/93/49/356359349.db2.gz OCBZUESHMBWCBT-UHFFFAOYSA-N 1 2 225.288 1.625 20 0 BDADLO COCC[N@@H+](CC(C)=O)Cc1ccc(C)o1 ZINC000639517749 356359351 /nfs/dbraw/zinc/35/93/51/356359351.db2.gz OCBZUESHMBWCBT-UHFFFAOYSA-N 1 2 225.288 1.625 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccnc1 ZINC000336130640 134094176 /nfs/dbraw/zinc/09/41/76/134094176.db2.gz PHCVJJIUBIRLFA-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccnc1 ZINC000336130640 134094177 /nfs/dbraw/zinc/09/41/77/134094177.db2.gz PHCVJJIUBIRLFA-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO CCc1nc(C(=O)NCc2[nH+]ccn2C)c(C)o1 ZINC000352578058 356384261 /nfs/dbraw/zinc/38/42/61/356384261.db2.gz UOHAEEVPZMTJMU-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCC[C@@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623269459 356370499 /nfs/dbraw/zinc/37/04/99/356370499.db2.gz KGVBRIUSZMHMBS-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CCC(F)(F)C[N@H+](C)CCCC(=O)NC ZINC000639545613 356406669 /nfs/dbraw/zinc/40/66/69/356406669.db2.gz ZAHMOYJMYDHYDE-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CCCC(=O)NC ZINC000639545613 356406672 /nfs/dbraw/zinc/40/66/72/356406672.db2.gz ZAHMOYJMYDHYDE-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CCn1ccnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000352201019 134100840 /nfs/dbraw/zinc/10/08/40/134100840.db2.gz DARPYNVVOPGTSR-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352201019 134100841 /nfs/dbraw/zinc/10/08/41/134100841.db2.gz DARPYNVVOPGTSR-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000336160909 134111017 /nfs/dbraw/zinc/11/10/17/134111017.db2.gz IQBCFCZQRIFMNA-PHIMTYICSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000420798018 192261016 /nfs/dbraw/zinc/26/10/16/192261016.db2.gz HGZXNIMORAPEDR-JTQLQIEISA-N 1 2 224.308 1.228 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000275152204 181279167 /nfs/dbraw/zinc/27/91/67/181279167.db2.gz SWGICJYVWWKILP-LLVKDONJSA-N 1 2 237.278 1.061 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000275152204 181279168 /nfs/dbraw/zinc/27/91/68/181279168.db2.gz SWGICJYVWWKILP-LLVKDONJSA-N 1 2 237.278 1.061 20 0 BDADLO C[C@H]([NH2+]Cc1cnns1)c1cncc(F)c1 ZINC000400238144 356490378 /nfs/dbraw/zinc/49/03/78/356490378.db2.gz POTZQIDSNAKJEJ-ZETCQYMHSA-N 1 2 238.291 1.923 20 0 BDADLO Cc1ccsc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623282324 356467570 /nfs/dbraw/zinc/46/75/70/356467570.db2.gz SVJHROPBSLFDBS-VIFPVBQESA-N 1 2 247.323 1.608 20 0 BDADLO Cn1c2c(cccc2F)[nH]c1=[NH+]CC1(O)CCC1 ZINC000336166992 134113259 /nfs/dbraw/zinc/11/32/59/134113259.db2.gz FNVCXMCQFDOXEQ-UHFFFAOYSA-N 1 2 249.289 1.461 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCO[C@@H]2C)no1 ZINC000639570167 356495166 /nfs/dbraw/zinc/49/51/66/356495166.db2.gz LLRHVZGQBCWQCV-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCO[C@@H]2C)no1 ZINC000639570167 356495167 /nfs/dbraw/zinc/49/51/67/356495167.db2.gz LLRHVZGQBCWQCV-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cn(C)cn1 ZINC000179353548 366247138 /nfs/dbraw/zinc/24/71/38/366247138.db2.gz CFJJXHZPXITJDB-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO COCC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289018 356498253 /nfs/dbraw/zinc/49/82/53/356498253.db2.gz KGSVLMIKEZBDEV-SNVBAGLBSA-N 1 2 234.299 1.476 20 0 BDADLO COCC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289018 356498255 /nfs/dbraw/zinc/49/82/55/356498255.db2.gz KGSVLMIKEZBDEV-SNVBAGLBSA-N 1 2 234.299 1.476 20 0 BDADLO CC[C@@H](C)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000420863282 192264941 /nfs/dbraw/zinc/26/49/41/192264941.db2.gz RMFSWQMIKMODIG-SNVBAGLBSA-N 1 2 238.335 1.308 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@H]2C[C@@H](O)C2)CC1(F)F ZINC000420923913 192273649 /nfs/dbraw/zinc/27/36/49/192273649.db2.gz RDNFOJZKDJTMFT-BBBLOLIVSA-N 1 2 219.275 1.734 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H](O)C2)CC1(F)F ZINC000420923913 192273652 /nfs/dbraw/zinc/27/36/52/192273652.db2.gz RDNFOJZKDJTMFT-BBBLOLIVSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950978 192277979 /nfs/dbraw/zinc/27/79/79/192277979.db2.gz XTJBCFAUWMOQSM-UWVGGRQHSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420950978 192277981 /nfs/dbraw/zinc/27/79/81/192277981.db2.gz XTJBCFAUWMOQSM-UWVGGRQHSA-N 1 2 219.300 1.206 20 0 BDADLO CCNC(=O)C[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000420957082 192280454 /nfs/dbraw/zinc/28/04/54/192280454.db2.gz ZBVFXLPCFPEREB-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H](CC)O1 ZINC000420960062 192281184 /nfs/dbraw/zinc/28/11/84/192281184.db2.gz QWGOVFCPBDSCJT-TXEJJXNPSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncccn2)C[C@H](CC)O1 ZINC000420960062 192281188 /nfs/dbraw/zinc/28/11/88/192281188.db2.gz QWGOVFCPBDSCJT-TXEJJXNPSA-N 1 2 235.331 1.866 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)c(C)n1 ZINC000336183982 134120455 /nfs/dbraw/zinc/12/04/55/134120455.db2.gz NCAGUNMQAAKSNW-LLVKDONJSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)c(C)n1 ZINC000336183982 134120456 /nfs/dbraw/zinc/12/04/56/134120456.db2.gz NCAGUNMQAAKSNW-LLVKDONJSA-N 1 2 220.316 1.919 20 0 BDADLO CC[C@H]1C[NH+](Cc2cn(C)nn2)C[C@H](CC)O1 ZINC000420964964 192283772 /nfs/dbraw/zinc/28/37/72/192283772.db2.gz XPWPRCWAQQNXRF-RYUDHWBXSA-N 1 2 238.335 1.205 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000639617042 356534068 /nfs/dbraw/zinc/53/40/68/356534068.db2.gz IEJNLTIIGNDYBA-VHSXEESVSA-N 1 2 237.290 1.815 20 0 BDADLO COCC[N@H+](CC(C)=O)Cc1scnc1C ZINC000639616101 356533519 /nfs/dbraw/zinc/53/35/19/356533519.db2.gz CPPBIYYIXRFERQ-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO COCC[N@@H+](CC(C)=O)Cc1scnc1C ZINC000639616101 356533522 /nfs/dbraw/zinc/53/35/22/356533522.db2.gz CPPBIYYIXRFERQ-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296690 356546911 /nfs/dbraw/zinc/54/69/11/356546911.db2.gz NXYOFNMYEQOSHH-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnn3ccccc23)[C@H]1C ZINC000179678462 366283985 /nfs/dbraw/zinc/28/39/85/366283985.db2.gz YLACTXRNGCEXDL-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnn3ccccc23)[C@H]1C ZINC000179678462 366283989 /nfs/dbraw/zinc/28/39/89/366283989.db2.gz YLACTXRNGCEXDL-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO Fc1ccc(C[N@@H+]2CC[C@]23CCOC3)nc1 ZINC000421014795 192302810 /nfs/dbraw/zinc/30/28/10/192302810.db2.gz HUQFDKOPDIXRGK-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ccc(C[N@H+]2CC[C@]23CCOC3)nc1 ZINC000421014795 192302812 /nfs/dbraw/zinc/30/28/12/192302812.db2.gz HUQFDKOPDIXRGK-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@]23CCOC3)cs1 ZINC000421014793 192303055 /nfs/dbraw/zinc/30/30/55/192303055.db2.gz HULHYGSGDLINKN-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@]23CCOC3)cs1 ZINC000421014793 192303058 /nfs/dbraw/zinc/30/30/58/192303058.db2.gz HULHYGSGDLINKN-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000578129659 366290285 /nfs/dbraw/zinc/29/02/85/366290285.db2.gz VWOHVYUFIQJTFE-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000578129659 366290289 /nfs/dbraw/zinc/29/02/89/366290289.db2.gz VWOHVYUFIQJTFE-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCC(F)(F)C[N@H+](C)CCOCCOC ZINC000639646718 356552686 /nfs/dbraw/zinc/55/26/86/356552686.db2.gz RUARBXUANRITFU-UHFFFAOYSA-N 1 2 225.279 1.627 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CCOCCOC ZINC000639646718 356552690 /nfs/dbraw/zinc/55/26/90/356552690.db2.gz RUARBXUANRITFU-UHFFFAOYSA-N 1 2 225.279 1.627 20 0 BDADLO Cn1cnnc1C[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639648260 356554657 /nfs/dbraw/zinc/55/46/57/356554657.db2.gz NGCKHVPYCBZRGR-SNVBAGLBSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639648260 356554661 /nfs/dbraw/zinc/55/46/61/356554661.db2.gz NGCKHVPYCBZRGR-SNVBAGLBSA-N 1 2 238.335 1.062 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cncs1 ZINC000623298509 356555305 /nfs/dbraw/zinc/55/53/05/356555305.db2.gz CJAGZTLZAVLDFE-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421021309 192305202 /nfs/dbraw/zinc/30/52/02/192305202.db2.gz ONRSPXHZOSEGKS-GFCCVEGCSA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421021309 192305204 /nfs/dbraw/zinc/30/52/04/192305204.db2.gz ONRSPXHZOSEGKS-GFCCVEGCSA-N 1 2 227.304 1.193 20 0 BDADLO CC1(C)C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000179768262 366301572 /nfs/dbraw/zinc/30/15/72/366301572.db2.gz OAISRMGSNZPGQI-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000179768262 366301573 /nfs/dbraw/zinc/30/15/73/366301573.db2.gz OAISRMGSNZPGQI-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CCC[N@H+](CCN1CCCCC1)CC(C)=O ZINC000639643205 356556855 /nfs/dbraw/zinc/55/68/55/356556855.db2.gz CWEOHVCPWIXVOZ-UHFFFAOYSA-N 1 2 226.364 1.773 20 0 BDADLO CCC[N@@H+](CCN1CCCCC1)CC(C)=O ZINC000639643205 356556858 /nfs/dbraw/zinc/55/68/58/356556858.db2.gz CWEOHVCPWIXVOZ-UHFFFAOYSA-N 1 2 226.364 1.773 20 0 BDADLO CCC[C@@H]([NH2+]CC1=CCCOC1)C(=O)OCC ZINC000352263655 134128579 /nfs/dbraw/zinc/12/85/79/134128579.db2.gz PPCIJIKXZAKBIP-GFCCVEGCSA-N 1 2 241.331 1.655 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421027546 192309148 /nfs/dbraw/zinc/30/91/48/192309148.db2.gz GPPBIDSQLIVJJB-ZDUSSCGKSA-N 1 2 240.347 1.158 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299772 356559840 /nfs/dbraw/zinc/55/98/40/356559840.db2.gz CPJACCHFZZXSTO-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421027546 192309150 /nfs/dbraw/zinc/30/91/50/192309150.db2.gz GPPBIDSQLIVJJB-ZDUSSCGKSA-N 1 2 240.347 1.158 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299720 356566215 /nfs/dbraw/zinc/56/62/15/356566215.db2.gz BKIYDSFSOIZTCZ-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cn1ccc(C)n1 ZINC000449892821 202049433 /nfs/dbraw/zinc/04/94/33/202049433.db2.gz QZSWADAEQPSYPH-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO Cc1cc(CNC(=O)c2cnns2)cc(C)[nH+]1 ZINC000421224310 192315975 /nfs/dbraw/zinc/31/59/75/192315975.db2.gz XAWKEPWMVPFQQV-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)OC(C)C)o1 ZINC000541692444 324972265 /nfs/dbraw/zinc/97/22/65/324972265.db2.gz ZMUFFIJSNZCHBZ-MRVPVSSYSA-N 1 2 241.291 1.370 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302463 356581951 /nfs/dbraw/zinc/58/19/51/356581951.db2.gz HGGICIDIKZFENF-MCWZUMHDSA-N 1 2 245.326 1.837 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623307761 356612776 /nfs/dbraw/zinc/61/27/76/356612776.db2.gz NYPIQADCZPOUHQ-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623307763 356613689 /nfs/dbraw/zinc/61/36/89/356613689.db2.gz NYPIQADCZPOUHQ-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C)[C@H]1O ZINC000630091553 363509115 /nfs/dbraw/zinc/50/91/15/363509115.db2.gz AWARFENVOFARMX-IWIIMEHWSA-N 1 2 236.315 1.027 20 0 BDADLO Cc1cc(C)c(CN2CN(C)C(=O)[C@@H]2C)c(C)[nH+]1 ZINC000639698287 356606659 /nfs/dbraw/zinc/60/66/59/356606659.db2.gz JKGFULYQSBARKB-LBPRGKRZSA-N 1 2 247.342 1.627 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@@H](CO)C1 ZINC000630094068 363534220 /nfs/dbraw/zinc/53/42/20/363534220.db2.gz VBILWGQABNCDSR-DTORHVGOSA-N 1 2 208.261 1.273 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc(CO)cc[nH+]2)C1 ZINC000630094119 363534725 /nfs/dbraw/zinc/53/47/25/363534725.db2.gz WTYMLODOZRDIKS-PHIMTYICSA-N 1 2 222.288 1.411 20 0 BDADLO Cc1cc(C[NH2+]Cc2cscn2)ncn1 ZINC000379926146 538462673 /nfs/dbraw/zinc/46/26/73/538462673.db2.gz LMUYLLZBWKTFAP-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1ccccc1)S(C)(=O)=O ZINC000450237224 202103241 /nfs/dbraw/zinc/10/32/41/202103241.db2.gz KIJJRUUEWPKOKP-NSHDSACASA-N 1 2 241.356 1.552 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1ccccc1)S(C)(=O)=O ZINC000450237224 202103245 /nfs/dbraw/zinc/10/32/45/202103245.db2.gz KIJJRUUEWPKOKP-NSHDSACASA-N 1 2 241.356 1.552 20 0 BDADLO C[C@H](C[N@H+](C)Cc1cccs1)S(C)(=O)=O ZINC000450237412 202104393 /nfs/dbraw/zinc/10/43/93/202104393.db2.gz MFLXLPDNCAGKJR-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1cccs1)S(C)(=O)=O ZINC000450237412 202104396 /nfs/dbraw/zinc/10/43/96/202104396.db2.gz MFLXLPDNCAGKJR-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO CC(C)N(C(=O)C[N@@H+]1CCO[C@H](C)C1)C(C)C ZINC000054104259 363559656 /nfs/dbraw/zinc/55/96/56/363559656.db2.gz NZVKRUGJRGPRSU-GFCCVEGCSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C(=O)C[N@H+]1CCO[C@H](C)C1)C(C)C ZINC000054104259 363559662 /nfs/dbraw/zinc/55/96/62/363559662.db2.gz NZVKRUGJRGPRSU-GFCCVEGCSA-N 1 2 242.363 1.353 20 0 BDADLO Cn1ccc(C[NH2+]Cc2c(F)cccc2F)n1 ZINC000167630762 134153503 /nfs/dbraw/zinc/15/35/03/134153503.db2.gz QRGBSPXJCNEQGY-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO C[C@@H](NCc1c[nH+]cn1C)C(C)(F)F ZINC000389456265 356677486 /nfs/dbraw/zinc/67/74/86/356677486.db2.gz ACASWDBIWRBOLE-SSDOTTSWSA-N 1 2 203.236 1.553 20 0 BDADLO OCC1([C@@H]([NH2+]CC(F)F)[C@@H]2CCCO2)CCC1 ZINC000639763129 356689120 /nfs/dbraw/zinc/68/91/20/356689120.db2.gz BCHREOUVDRQKHF-ONGXEEELSA-N 1 2 249.301 1.551 20 0 BDADLO Cl/C=C/C[NH+]1CCN(c2ncccn2)CC1 ZINC000054116376 363561127 /nfs/dbraw/zinc/56/11/27/363561127.db2.gz VASWXKXTQKXTCP-HNQUOIGGSA-N 1 2 238.722 1.351 20 0 BDADLO CC1(C)[C@@H]2C[N@@H+](Cc3csnn3)C[C@@H]21 ZINC000179924674 366334925 /nfs/dbraw/zinc/33/49/25/366334925.db2.gz RSJGYPQWCMJNSB-DTORHVGOSA-N 1 2 209.318 1.626 20 0 BDADLO CC1(C)[C@@H]2C[N@H+](Cc3csnn3)C[C@@H]21 ZINC000179924674 366334926 /nfs/dbraw/zinc/33/49/26/366334926.db2.gz RSJGYPQWCMJNSB-DTORHVGOSA-N 1 2 209.318 1.626 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C(C)(F)F ZINC000389469015 356684432 /nfs/dbraw/zinc/68/44/32/356684432.db2.gz NUOPUIGIFRRXBZ-QMMMGPOBSA-N 1 2 242.269 1.919 20 0 BDADLO c1cn(CCc2nc(-c3ccoc3)no2)c[nH+]1 ZINC000350815608 366342014 /nfs/dbraw/zinc/34/20/14/366342014.db2.gz RUWPLYJSDQPRLV-UHFFFAOYSA-N 1 2 230.227 1.769 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000450423636 202159566 /nfs/dbraw/zinc/15/95/66/202159566.db2.gz OVJIQIDYLHAYED-MMPTUQATSA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000450423636 202159567 /nfs/dbraw/zinc/15/95/67/202159567.db2.gz OVJIQIDYLHAYED-MMPTUQATSA-N 1 2 245.388 1.587 20 0 BDADLO CCc1nnc(C[NH+]2CCC(OC)CC2)o1 ZINC000054118375 363562334 /nfs/dbraw/zinc/56/23/34/363562334.db2.gz PHQGAFVLKUXPMY-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nc(C[NH+]2CCC(COC)CC2)no1 ZINC000112355065 356700172 /nfs/dbraw/zinc/70/01/72/356700172.db2.gz QTXOEQPMRAUXGK-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO C[NH+](C)Cc1nc([C@@H]2CCCOC2)no1 ZINC000350850250 366351730 /nfs/dbraw/zinc/35/17/30/366351730.db2.gz BDZMAXDNJSDFSI-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC000639783991 356736109 /nfs/dbraw/zinc/73/61/09/356736109.db2.gz UGWDKRAPFFGIBG-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC000639783991 356736113 /nfs/dbraw/zinc/73/61/13/356736113.db2.gz UGWDKRAPFFGIBG-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CC(C)(C)CO1 ZINC000639783991 356736117 /nfs/dbraw/zinc/73/61/17/356736117.db2.gz UGWDKRAPFFGIBG-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CC(C)(C)CO1 ZINC000639783991 356736121 /nfs/dbraw/zinc/73/61/21/356736121.db2.gz UGWDKRAPFFGIBG-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO Cc1ccc(CCNC(=O)Cn2cc[nH+]c2)o1 ZINC000578185385 366368387 /nfs/dbraw/zinc/36/83/87/366368387.db2.gz TXZGWPVRLONXGG-UHFFFAOYSA-N 1 2 233.271 1.143 20 0 BDADLO C[N@H+](CCn1ccccc1=O)Cc1ccns1 ZINC000639786465 356740805 /nfs/dbraw/zinc/74/08/05/356740805.db2.gz CXLSJHSNHCUOGR-UHFFFAOYSA-N 1 2 249.339 1.437 20 0 BDADLO C[N@@H+](CCn1ccccc1=O)Cc1ccns1 ZINC000639786465 356740808 /nfs/dbraw/zinc/74/08/08/356740808.db2.gz CXLSJHSNHCUOGR-UHFFFAOYSA-N 1 2 249.339 1.437 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccns2)cn1 ZINC000639788680 356740864 /nfs/dbraw/zinc/74/08/64/356740864.db2.gz FCCYWANXNNFVAJ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccns2)cn1 ZINC000639788680 356740866 /nfs/dbraw/zinc/74/08/66/356740866.db2.gz FCCYWANXNNFVAJ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(F)cc1F ZINC000088572171 356743582 /nfs/dbraw/zinc/74/35/82/356743582.db2.gz ZPNSLWNLWKNDIQ-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1c[nH]cc1C1CC1 ZINC000639795849 356752846 /nfs/dbraw/zinc/75/28/46/356752846.db2.gz AREAGGFKWMEOIJ-UHFFFAOYSA-N 1 2 230.271 1.545 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1c[nH]cc1C1CC1 ZINC000639795849 356752847 /nfs/dbraw/zinc/75/28/47/356752847.db2.gz AREAGGFKWMEOIJ-UHFFFAOYSA-N 1 2 230.271 1.545 20 0 BDADLO c1c(C[N@@H+]2CCC23CCC3)nnn1CC1CC1 ZINC000450473907 202177426 /nfs/dbraw/zinc/17/74/26/202177426.db2.gz ZWLVTNODBXILRJ-UHFFFAOYSA-N 1 2 232.331 1.817 20 0 BDADLO c1c(C[N@H+]2CCC23CCC3)nnn1CC1CC1 ZINC000450473907 202177430 /nfs/dbraw/zinc/17/74/30/202177430.db2.gz ZWLVTNODBXILRJ-UHFFFAOYSA-N 1 2 232.331 1.817 20 0 BDADLO CO[C@H]1C[N@H+](CCOC(C)(C)C)CCO1 ZINC000639833652 356820136 /nfs/dbraw/zinc/82/01/36/356820136.db2.gz QDWRHCLZWDSDIC-SNVBAGLBSA-N 1 2 217.309 1.106 20 0 BDADLO CO[C@H]1C[N@@H+](CCOC(C)(C)C)CCO1 ZINC000639833652 356820140 /nfs/dbraw/zinc/82/01/40/356820140.db2.gz QDWRHCLZWDSDIC-SNVBAGLBSA-N 1 2 217.309 1.106 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(F)ccc2C)CCO1 ZINC000639836030 356826594 /nfs/dbraw/zinc/82/65/94/356826594.db2.gz DZPZIYNGKQHCEH-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC000639836030 356826598 /nfs/dbraw/zinc/82/65/98/356826598.db2.gz DZPZIYNGKQHCEH-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cncc(C)c2)CCO1 ZINC000639838067 356828572 /nfs/dbraw/zinc/82/85/72/356828572.db2.gz ORQLNFQNTPNVKM-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)CCO1 ZINC000639838067 356828575 /nfs/dbraw/zinc/82/85/75/356828575.db2.gz ORQLNFQNTPNVKM-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@H+](CCc2scnc2C)CCO1 ZINC000639837280 356829783 /nfs/dbraw/zinc/82/97/83/356829783.db2.gz IZXXHYYSIXZFAF-NSHDSACASA-N 1 2 242.344 1.299 20 0 BDADLO CO[C@@H]1C[N@@H+](CCc2scnc2C)CCO1 ZINC000639837280 356829786 /nfs/dbraw/zinc/82/97/86/356829786.db2.gz IZXXHYYSIXZFAF-NSHDSACASA-N 1 2 242.344 1.299 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)nc2C)CCO1 ZINC000639839465 356830335 /nfs/dbraw/zinc/83/03/35/356830335.db2.gz RRWYISKFIWQDBD-ZDUSSCGKSA-N 1 2 236.315 1.503 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)CCO1 ZINC000639839465 356830339 /nfs/dbraw/zinc/83/03/39/356830339.db2.gz RRWYISKFIWQDBD-ZDUSSCGKSA-N 1 2 236.315 1.503 20 0 BDADLO COc1nn(C)cc1Nc1cc(C)[nH+]c(C)n1 ZINC000352614395 538724140 /nfs/dbraw/zinc/72/41/40/538724140.db2.gz XFTUYPZSYPQFCG-UHFFFAOYSA-N 1 2 233.275 1.579 20 0 BDADLO CC[N@H+](Cc1[nH]ncc1C)[C@@H]1CCOC1 ZINC000361236211 356920933 /nfs/dbraw/zinc/92/09/33/356920933.db2.gz IDMOKTLMUMZYLX-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[N@@H+](Cc1[nH]ncc1C)[C@@H]1CCOC1 ZINC000361236211 356920936 /nfs/dbraw/zinc/92/09/36/356920936.db2.gz IDMOKTLMUMZYLX-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[N@@H+](Cc1noc(C)n1)C[C@H](C)OC ZINC000361574399 356933397 /nfs/dbraw/zinc/93/33/97/356933397.db2.gz WCTJGLPRVZWJPC-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1noc(C)n1)C[C@H](C)OC ZINC000361574399 356933399 /nfs/dbraw/zinc/93/33/99/356933399.db2.gz WCTJGLPRVZWJPC-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO CCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623392197 356940753 /nfs/dbraw/zinc/94/07/53/356940753.db2.gz ZLIPXFYBOXADOL-SNVBAGLBSA-N 1 2 221.304 1.280 20 0 BDADLO CCCCS[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359678317 356893726 /nfs/dbraw/zinc/89/37/26/356893726.db2.gz HYNXRTLHJRVKLS-VIFPVBQESA-N 1 2 241.360 1.948 20 0 BDADLO CCCCS[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359678317 356893728 /nfs/dbraw/zinc/89/37/28/356893728.db2.gz HYNXRTLHJRVKLS-VIFPVBQESA-N 1 2 241.360 1.948 20 0 BDADLO COC(=O)CCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399600916 356984973 /nfs/dbraw/zinc/98/49/73/356984973.db2.gz VDHUSBFRVOMDRU-UHFFFAOYSA-N 1 2 247.298 1.651 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC12CCC2 ZINC000354380498 538776524 /nfs/dbraw/zinc/77/65/24/538776524.db2.gz BNOWOGABVGLXBU-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC12CCC2 ZINC000354380498 538776527 /nfs/dbraw/zinc/77/65/27/538776527.db2.gz BNOWOGABVGLXBU-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO C[C@@H]1[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1(F)F ZINC000582306718 357044105 /nfs/dbraw/zinc/04/41/05/357044105.db2.gz BKHWEHUNQYSCQQ-RNFRBKRXSA-N 1 2 243.257 1.662 20 0 BDADLO CC[C@@H](NC(=O)C1CC(OC)C1)c1[nH]cc[nH+]1 ZINC000626483848 357046884 /nfs/dbraw/zinc/04/68/84/357046884.db2.gz WYWRGKYMZLLTRH-UDNWOFFPSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1[nH]c(CNc2cnccc2CO)[nH+]c1C ZINC000582312218 357052400 /nfs/dbraw/zinc/05/24/00/357052400.db2.gz OXTFTSWVIZYKNZ-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO C/C=C/CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000626468694 357005392 /nfs/dbraw/zinc/00/53/92/357005392.db2.gz SADDBKUCKINTMJ-ONEGZZNKSA-N 1 2 205.261 1.510 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Cc1ccc(F)cc1 ZINC000355255570 538792093 /nfs/dbraw/zinc/79/20/93/538792093.db2.gz MGNNPZHMGLGLQE-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO CCc1nc(C[N@H+](C)CCc2ccncc2)no1 ZINC000121586933 357135806 /nfs/dbraw/zinc/13/58/06/357135806.db2.gz GCWSUMWYRNJKNX-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CCc1nc(C[N@@H+](C)CCc2ccncc2)no1 ZINC000121586933 357135811 /nfs/dbraw/zinc/13/58/11/357135811.db2.gz GCWSUMWYRNJKNX-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO COc1ccc2[nH]c(CCCCO)[nH+]c2c1 ZINC000026462162 357136036 /nfs/dbraw/zinc/13/60/36/357136036.db2.gz QNSNTJUYYHAILN-UHFFFAOYSA-N 1 2 220.272 1.887 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncccn2)ccn1 ZINC000391217116 357127265 /nfs/dbraw/zinc/12/72/65/357127265.db2.gz SVBMFMVBYHTBSE-UHFFFAOYSA-N 1 2 214.272 1.470 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)C(C)(C)O)cc2[nH+]1 ZINC000258831535 538799293 /nfs/dbraw/zinc/79/92/93/538799293.db2.gz CCBKSRUIJHOBQV-UHFFFAOYSA-N 1 2 233.271 1.581 20 0 BDADLO Cc1[nH]c2cc(NC(=O)C(C)(C)O)ccc2[nH+]1 ZINC000258831535 538799299 /nfs/dbraw/zinc/79/92/99/538799299.db2.gz CCBKSRUIJHOBQV-UHFFFAOYSA-N 1 2 233.271 1.581 20 0 BDADLO c1nc2cc(C[NH+]3CC4(C3)CCCO4)ccc2[nH]1 ZINC000628427244 357257111 /nfs/dbraw/zinc/25/71/11/357257111.db2.gz OUORRTACFFTETL-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1nc2ccc(C[NH+]3CC4(C3)CCCO4)cc2[nH]1 ZINC000628427244 357257113 /nfs/dbraw/zinc/25/71/13/357257113.db2.gz OUORRTACFFTETL-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCCO3)[nH+]c1C ZINC000628427450 357257606 /nfs/dbraw/zinc/25/76/06/357257606.db2.gz CPWWEIMMLYDSLY-UHFFFAOYSA-N 1 2 221.304 1.391 20 0 BDADLO CC1=CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582736547 357376587 /nfs/dbraw/zinc/37/65/87/357376587.db2.gz ZZPOPYZNWGWWET-LLVKDONJSA-N 1 2 233.315 1.767 20 0 BDADLO CC1=CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582736547 357376593 /nfs/dbraw/zinc/37/65/93/357376593.db2.gz ZZPOPYZNWGWWET-LLVKDONJSA-N 1 2 233.315 1.767 20 0 BDADLO CCO[C@H]1C[C@H]1[NH2+]Cc1cc(COC)on1 ZINC000582771265 357385683 /nfs/dbraw/zinc/38/56/83/357385683.db2.gz YIWFRCIFBQFUQK-MNOVXSKESA-N 1 2 226.276 1.088 20 0 BDADLO C[C@@H](CC(=O)N(C)[C@H]1CCOC1)n1cc[nH+]c1 ZINC000582789423 357396073 /nfs/dbraw/zinc/39/60/73/357396073.db2.gz YYXBEJHSKZAMAD-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CCc1nnc([C@H](C)NCc2[nH]c(C)c(C)[nH+]2)[nH]1 ZINC000582916152 357436160 /nfs/dbraw/zinc/43/61/60/357436160.db2.gz SHRNSWNUYIVAEN-VIFPVBQESA-N 1 2 248.334 1.558 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000582971978 357447811 /nfs/dbraw/zinc/44/78/11/357447811.db2.gz AQEZWIDKERKWIU-VIFPVBQESA-N 1 2 224.260 1.098 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000582971978 357447814 /nfs/dbraw/zinc/44/78/14/357447814.db2.gz AQEZWIDKERKWIU-VIFPVBQESA-N 1 2 224.260 1.098 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2nc(C)[nH+]cc2C)C1 ZINC000584381250 357461687 /nfs/dbraw/zinc/46/16/87/357461687.db2.gz OAQRBTYWSPYNFS-LLVKDONJSA-N 1 2 248.330 1.516 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc[nH]1 ZINC000583033075 357464310 /nfs/dbraw/zinc/46/43/10/357464310.db2.gz BXTOTJIRDBAZOU-SECBINFHSA-N 1 2 232.287 1.233 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc[nH]1 ZINC000583033075 357464312 /nfs/dbraw/zinc/46/43/12/357464312.db2.gz BXTOTJIRDBAZOU-SECBINFHSA-N 1 2 232.287 1.233 20 0 BDADLO CO[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000583034471 357465868 /nfs/dbraw/zinc/46/58/68/357465868.db2.gz MJBSLHOZYVINFD-RKDXNWHRSA-N 1 2 225.292 1.258 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000583060630 357470768 /nfs/dbraw/zinc/47/07/68/357470768.db2.gz QJKKIFZENOYMJL-YFKTTZPYSA-N 1 2 248.330 1.369 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCC(F)(F)F ZINC000583094113 357478846 /nfs/dbraw/zinc/47/88/46/357478846.db2.gz PYPWGOQCMSBBDM-UHFFFAOYSA-N 1 2 249.236 1.862 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000584387409 357482720 /nfs/dbraw/zinc/48/27/20/357482720.db2.gz DCHAVLYWAWJFPB-NSHDSACASA-N 1 2 249.362 1.871 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000584387409 357482721 /nfs/dbraw/zinc/48/27/21/357482721.db2.gz DCHAVLYWAWJFPB-NSHDSACASA-N 1 2 249.362 1.871 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CO1 ZINC000583141405 357493018 /nfs/dbraw/zinc/49/30/18/357493018.db2.gz PRRPUPDFSMEMGA-MNOVXSKESA-N 1 2 248.330 1.666 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CO1 ZINC000583141405 357493023 /nfs/dbraw/zinc/49/30/23/357493023.db2.gz PRRPUPDFSMEMGA-MNOVXSKESA-N 1 2 248.330 1.666 20 0 BDADLO CC(C)(O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000188330868 357527696 /nfs/dbraw/zinc/52/76/96/357527696.db2.gz PFSIELNEEDPWNW-UHFFFAOYSA-N 1 2 245.282 1.786 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@](C)(O)CC2)no1 ZINC000230376983 357530811 /nfs/dbraw/zinc/53/08/11/357530811.db2.gz LXRYSTRAKZULNX-NSHDSACASA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@](C)(O)CC2)no1 ZINC000230376983 357530816 /nfs/dbraw/zinc/53/08/16/357530816.db2.gz LXRYSTRAKZULNX-NSHDSACASA-N 1 2 225.292 1.115 20 0 BDADLO Cc1cc(NCCc2cccc(C)[nH+]2)ncn1 ZINC000359815860 538858516 /nfs/dbraw/zinc/85/85/16/538858516.db2.gz JUHBIITWATWKAR-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CCc1cc(C[NH2+]Cc2cn(C(C)C)nn2)on1 ZINC000583227250 357643277 /nfs/dbraw/zinc/64/32/77/357643277.db2.gz YTHYYTJYCOUMPH-UHFFFAOYSA-N 1 2 249.318 1.699 20 0 BDADLO Cc1cc(N[C@@H]2CNC(=O)C2)nc(C(C)C)[nH+]1 ZINC000232180621 357652874 /nfs/dbraw/zinc/65/28/74/357652874.db2.gz SOHCQADSOYKJRD-VIFPVBQESA-N 1 2 234.303 1.209 20 0 BDADLO CCOC(=O)[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189650324 357655917 /nfs/dbraw/zinc/65/59/17/357655917.db2.gz DHAQNJIKXNRAKQ-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1ncc[nH]1 ZINC000189476897 357637389 /nfs/dbraw/zinc/63/73/89/357637389.db2.gz LRXLRECDENPVDV-SECBINFHSA-N 1 2 227.333 1.223 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1ncc[nH]1 ZINC000189476897 357637392 /nfs/dbraw/zinc/63/73/92/357637392.db2.gz LRXLRECDENPVDV-SECBINFHSA-N 1 2 227.333 1.223 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nc(N(C)C)no2)cc1 ZINC000190971030 357735228 /nfs/dbraw/zinc/73/52/28/357735228.db2.gz YGSBGPVHUYGJEL-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)CCCC(C)C)[C@@H](C)O ZINC000191016291 357742569 /nfs/dbraw/zinc/74/25/69/357742569.db2.gz MNBGOULKWBTEIW-UTUOFQBUSA-N 1 2 245.363 1.713 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000191083049 357748599 /nfs/dbraw/zinc/74/85/99/357748599.db2.gz JTBDVNVURUPDDK-GFCCVEGCSA-N 1 2 242.363 1.213 20 0 BDADLO CC1(C)C[N@H+](CC(N)=O)[C@H]1c1ccco1 ZINC000639924640 357796075 /nfs/dbraw/zinc/79/60/75/357796075.db2.gz BIMSAAYSDRSEGL-JTQLQIEISA-N 1 2 208.261 1.148 20 0 BDADLO CC1(C)C[N@@H+](CC(N)=O)[C@H]1c1ccco1 ZINC000639924640 357796080 /nfs/dbraw/zinc/79/60/80/357796080.db2.gz BIMSAAYSDRSEGL-JTQLQIEISA-N 1 2 208.261 1.148 20 0 BDADLO CC[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000055276197 363589366 /nfs/dbraw/zinc/58/93/66/363589366.db2.gz TTYUFASHAAEAAT-GFCCVEGCSA-N 1 2 247.342 1.776 20 0 BDADLO CC[C@H]1CCC[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000191959672 357806163 /nfs/dbraw/zinc/80/61/63/357806163.db2.gz QMGALRKAEOEBKR-RHYQMDGZSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000192771396 357851822 /nfs/dbraw/zinc/85/18/22/357851822.db2.gz CLXHIMSNFBAEQK-SNVBAGLBSA-N 1 2 230.311 1.907 20 0 BDADLO C[C@@H](O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000192771396 357851825 /nfs/dbraw/zinc/85/18/25/357851825.db2.gz CLXHIMSNFBAEQK-SNVBAGLBSA-N 1 2 230.311 1.907 20 0 BDADLO CSCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000192603370 357845957 /nfs/dbraw/zinc/84/59/57/357845957.db2.gz MQKIVMBZEFLPET-UHFFFAOYSA-N 1 2 239.344 1.839 20 0 BDADLO C[C@H](O)[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000235531014 357882157 /nfs/dbraw/zinc/88/21/57/357882157.db2.gz FTWOGYKAONTCOT-BQBZGAKWSA-N 1 2 238.316 1.225 20 0 BDADLO CC(C)N(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000584421916 357918138 /nfs/dbraw/zinc/91/81/38/357918138.db2.gz HYVCBMRXFATWEY-UHFFFAOYSA-N 1 2 210.281 1.302 20 0 BDADLO CC(C)N(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000584421916 357918140 /nfs/dbraw/zinc/91/81/40/357918140.db2.gz HYVCBMRXFATWEY-UHFFFAOYSA-N 1 2 210.281 1.302 20 0 BDADLO CC[N@H+](CCCS(C)(=O)=O)Cc1ccoc1 ZINC000103142344 357999218 /nfs/dbraw/zinc/99/92/18/357999218.db2.gz CVICWVJOURMTTR-UHFFFAOYSA-N 1 2 245.344 1.536 20 0 BDADLO CC[N@@H+](CCCS(C)(=O)=O)Cc1ccoc1 ZINC000103142344 357999223 /nfs/dbraw/zinc/99/92/23/357999223.db2.gz CVICWVJOURMTTR-UHFFFAOYSA-N 1 2 245.344 1.536 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1cn[nH]c1C ZINC000639970161 358022447 /nfs/dbraw/zinc/02/24/47/358022447.db2.gz DBDYSUOKURHJAB-UHFFFAOYSA-N 1 2 248.330 1.997 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1cn[nH]c1C ZINC000639970161 358022450 /nfs/dbraw/zinc/02/24/50/358022450.db2.gz DBDYSUOKURHJAB-UHFFFAOYSA-N 1 2 248.330 1.997 20 0 BDADLO Cc1cccc2[nH+]c(CSCCO)cn21 ZINC000610647824 358044923 /nfs/dbraw/zinc/04/49/23/358044923.db2.gz YTYDFKAFWKUQNA-UHFFFAOYSA-N 1 2 222.313 1.868 20 0 BDADLO CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000170884282 134254391 /nfs/dbraw/zinc/25/43/91/134254391.db2.gz CFLUPVNFFNOPQJ-UHFFFAOYSA-N 1 2 232.287 1.007 20 0 BDADLO CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000170884282 134254392 /nfs/dbraw/zinc/25/43/92/134254392.db2.gz CFLUPVNFFNOPQJ-UHFFFAOYSA-N 1 2 232.287 1.007 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000170764582 134253677 /nfs/dbraw/zinc/25/36/77/134253677.db2.gz ZAVWOMRMQIYBKD-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000170764582 134253678 /nfs/dbraw/zinc/25/36/78/134253678.db2.gz ZAVWOMRMQIYBKD-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](CCF)C2)cn1 ZINC000628459698 358094492 /nfs/dbraw/zinc/09/44/92/358094492.db2.gz WOAMJGYALYSXDO-GFCCVEGCSA-N 1 2 239.294 1.544 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](CCF)C2)cn1 ZINC000628459698 358094493 /nfs/dbraw/zinc/09/44/93/358094493.db2.gz WOAMJGYALYSXDO-GFCCVEGCSA-N 1 2 239.294 1.544 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@](O)(CC)C2)no1 ZINC000640033588 358125840 /nfs/dbraw/zinc/12/58/40/358125840.db2.gz SUHWPKDLHHVFAS-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@](O)(CC)C2)no1 ZINC000640033588 358125844 /nfs/dbraw/zinc/12/58/44/358125844.db2.gz SUHWPKDLHHVFAS-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CC[C@@](C)([NH2+]CCC[C@@H](C)O)C(=O)OC ZINC000450659475 202213757 /nfs/dbraw/zinc/21/37/57/202213757.db2.gz QRBYNTJQUCAMFY-MWLCHTKSSA-N 1 2 217.309 1.079 20 0 BDADLO CC(C)c1nc(NC[C@H](C)CCCO)cc[nH+]1 ZINC000450625117 202215221 /nfs/dbraw/zinc/21/52/21/202215221.db2.gz DUQSUKYVGYAALZ-LLVKDONJSA-N 1 2 237.347 1.842 20 0 BDADLO Cc1cc(NCc2nnc(C(C)C)[nH]2)nc[nH+]1 ZINC000450627125 202215352 /nfs/dbraw/zinc/21/53/52/202215352.db2.gz XMSZBSRFAZRXFR-UHFFFAOYSA-N 1 2 232.291 1.061 20 0 BDADLO C/C=C\CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000623422476 358176764 /nfs/dbraw/zinc/17/67/64/358176764.db2.gz XPSJNGGIJCVUEB-PLNGDYQASA-N 1 2 248.330 1.523 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C)CCC1 ZINC000584788288 358179444 /nfs/dbraw/zinc/17/94/44/358179444.db2.gz KKGQKGOPXPDATL-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C)CCC1 ZINC000584788288 358179445 /nfs/dbraw/zinc/17/94/45/358179445.db2.gz KKGQKGOPXPDATL-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO Cc1[nH]nc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1C ZINC000584785993 358182683 /nfs/dbraw/zinc/18/26/83/358182683.db2.gz WOJCQKSPMVAGDY-UHFFFAOYSA-N 1 2 247.302 1.415 20 0 BDADLO C[N@@H+](Cc1cccnc1N)C[C@H](O)C(F)(F)F ZINC000450656326 202228082 /nfs/dbraw/zinc/22/80/82/202228082.db2.gz YLDNWRKMRBRQSE-QMMMGPOBSA-N 1 2 249.236 1.019 20 0 BDADLO C[N@H+](Cc1cccnc1N)C[C@H](O)C(F)(F)F ZINC000450656326 202228086 /nfs/dbraw/zinc/22/80/86/202228086.db2.gz YLDNWRKMRBRQSE-QMMMGPOBSA-N 1 2 249.236 1.019 20 0 BDADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCSC ZINC000610826658 358206732 /nfs/dbraw/zinc/20/67/32/358206732.db2.gz LSLDSLSRBRDGFU-JTQLQIEISA-N 1 2 249.376 1.248 20 0 BDADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCSC ZINC000610826658 358206735 /nfs/dbraw/zinc/20/67/35/358206735.db2.gz LSLDSLSRBRDGFU-JTQLQIEISA-N 1 2 249.376 1.248 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cnoc1 ZINC000623940628 358214078 /nfs/dbraw/zinc/21/40/78/358214078.db2.gz LIODTVCEUAIEHC-UHFFFAOYSA-N 1 2 242.238 1.504 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC000450687359 202233723 /nfs/dbraw/zinc/23/37/23/202233723.db2.gz APGGRQHNHIXDSF-SDDRHHMPSA-N 1 2 245.363 1.715 20 0 BDADLO COC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000172653948 134267122 /nfs/dbraw/zinc/26/71/22/134267122.db2.gz GZKGODQBQIWQJG-UHFFFAOYSA-N 1 2 239.237 1.824 20 0 BDADLO COC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000172653948 134267123 /nfs/dbraw/zinc/26/71/23/134267123.db2.gz GZKGODQBQIWQJG-UHFFFAOYSA-N 1 2 239.237 1.824 20 0 BDADLO CC[C@@](C)(CNc1[nH+]c(C)nc2[nH]ccc21)OC ZINC000450719170 202245451 /nfs/dbraw/zinc/24/54/51/202245451.db2.gz VFSCYGGUVGELIA-ZDUSSCGKSA-N 1 2 248.330 1.915 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H](C)CO ZINC000450740354 202250616 /nfs/dbraw/zinc/25/06/16/202250616.db2.gz UZQSUUXFWJGAFW-VWYCJHECSA-N 1 2 231.336 1.181 20 0 BDADLO c1sc([C@@H]2COCC[NH2+]2)nc1-c1cnccn1 ZINC000226469222 358340364 /nfs/dbraw/zinc/34/03/64/358340364.db2.gz SWTHVNJBYQQECE-VIFPVBQESA-N 1 2 248.311 1.261 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC(C)C)C(C)C ZINC000042223786 358343544 /nfs/dbraw/zinc/34/35/44/358343544.db2.gz QAYYSIZWQTTWEE-JTQLQIEISA-N 1 2 217.309 1.199 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccno2)cs1 ZINC000230972968 358413866 /nfs/dbraw/zinc/41/38/66/358413866.db2.gz QMNAPUXFSPONHD-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CNC(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640153763 358435045 /nfs/dbraw/zinc/43/50/45/358435045.db2.gz TVKOCSBKDKTTNH-JTQLQIEISA-N 1 2 228.242 1.172 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438086 358548957 /nfs/dbraw/zinc/54/89/57/358548957.db2.gz FPERVSISRRUOAH-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438086 358548962 /nfs/dbraw/zinc/54/89/62/358548962.db2.gz FPERVSISRRUOAH-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569753 358526771 /nfs/dbraw/zinc/52/67/71/358526771.db2.gz SJORQCJJXFHFHJ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569753 358526773 /nfs/dbraw/zinc/52/67/73/358526773.db2.gz SJORQCJJXFHFHJ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130124408 358610829 /nfs/dbraw/zinc/61/08/29/358610829.db2.gz ICYYZPTWRFCADE-NSHDSACASA-N 1 2 235.331 1.752 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000048128765 358616661 /nfs/dbraw/zinc/61/66/61/358616661.db2.gz KXJREGQRUPSAAJ-IUCAKERBSA-N 1 2 227.333 1.139 20 0 BDADLO CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000049345668 358684698 /nfs/dbraw/zinc/68/46/98/358684698.db2.gz XJEKISJAOSBZET-UHFFFAOYSA-N 1 2 230.271 1.294 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1OC ZINC000050049242 358710496 /nfs/dbraw/zinc/71/04/96/358710496.db2.gz OWOMWAUVOLKFLM-GFCCVEGCSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1OC ZINC000050049242 358710500 /nfs/dbraw/zinc/71/05/00/358710500.db2.gz OWOMWAUVOLKFLM-GFCCVEGCSA-N 1 2 249.310 1.833 20 0 BDADLO CCCC[N@H+](CCO)Cc1noc(CC)n1 ZINC000050106245 358715692 /nfs/dbraw/zinc/71/56/92/358715692.db2.gz MKIHKFAYAUONKA-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCC[N@@H+](CCO)Cc1noc(CC)n1 ZINC000050106245 358715694 /nfs/dbraw/zinc/71/56/94/358715694.db2.gz MKIHKFAYAUONKA-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO C[C@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)Cn1cc[nH+]c1 ZINC000176121191 134290466 /nfs/dbraw/zinc/29/04/66/134290466.db2.gz VUKPNCGTKQWNRP-RTXFEEFZSA-N 1 2 247.342 1.682 20 0 BDADLO CC[C@H](C)[C@H](NCc1c[nH+]c[nH]1)C(=O)OC ZINC000054764804 358872512 /nfs/dbraw/zinc/87/25/12/358872512.db2.gz ZFFQEICHUVGPRT-WPRPVWTQSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@H](C)[C@H](NCc1c[nH]c[nH+]1)C(=O)OC ZINC000054764804 358872516 /nfs/dbraw/zinc/87/25/16/358872516.db2.gz ZFFQEICHUVGPRT-WPRPVWTQSA-N 1 2 225.292 1.087 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc(CCCO)c1 ZINC000136219848 358868977 /nfs/dbraw/zinc/86/89/77/358868977.db2.gz FUKCYRFXQKNEAY-UHFFFAOYSA-N 1 2 245.326 1.957 20 0 BDADLO Cc1cc(F)cc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000135482198 358840483 /nfs/dbraw/zinc/84/04/83/358840483.db2.gz BNHMGYDNTGLBMD-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccn2)C[C@H](C)O1 ZINC000578321809 366509705 /nfs/dbraw/zinc/50/97/05/366509705.db2.gz JKZPRGCQJSYQGH-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccn2)C[C@H](C)O1 ZINC000578321809 366509706 /nfs/dbraw/zinc/50/97/06/366509706.db2.gz JKZPRGCQJSYQGH-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H](NC(=O)c1cncc(F)c1)c1[nH]cc[nH+]1 ZINC000140494639 358922593 /nfs/dbraw/zinc/92/25/93/358922593.db2.gz IDIBHUUZMZDBDI-JTQLQIEISA-N 1 2 248.261 1.825 20 0 BDADLO CC[C@@H](NC(=O)c1ccc(F)cn1)c1[nH]cc[nH+]1 ZINC000140571777 358923310 /nfs/dbraw/zinc/92/33/10/358923310.db2.gz MJRBFXLKANFTSL-SECBINFHSA-N 1 2 248.261 1.825 20 0 BDADLO C[C@H](Cc1nc([C@@H]2CCCO2)no1)n1cc[nH+]c1 ZINC000351417401 366524586 /nfs/dbraw/zinc/52/45/86/366524586.db2.gz QTBSZMBVVRLVKR-ZJUUUORDSA-N 1 2 248.286 1.921 20 0 BDADLO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCC1(F)F ZINC000308844037 491138808 /nfs/dbraw/zinc/13/88/08/491138808.db2.gz LHOUOGUXFLIZOU-HTQZYQBOSA-N 1 2 241.303 1.197 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2nncn2C)n1 ZINC000070093529 359041022 /nfs/dbraw/zinc/04/10/22/359041022.db2.gz DPMFUASEXMTCBT-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1C ZINC000070990355 359070332 /nfs/dbraw/zinc/07/03/32/359070332.db2.gz NWDNCOMXALQVJA-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH+]ccn2C)c1O ZINC000071140938 359072720 /nfs/dbraw/zinc/07/27/20/359072720.db2.gz KTMOFPPQIVUUOR-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2C)o1 ZINC000246433079 359084529 /nfs/dbraw/zinc/08/45/29/359084529.db2.gz TWLOHGDGODCATA-RKDXNWHRSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](C)[C@H]2C)o1 ZINC000246433079 359084531 /nfs/dbraw/zinc/08/45/31/359084531.db2.gz TWLOHGDGODCATA-RKDXNWHRSA-N 1 2 241.360 1.958 20 0 BDADLO Cn1cccc1C(=O)NCCCn1cc[nH+]c1 ZINC000072562697 359087385 /nfs/dbraw/zinc/08/73/85/359087385.db2.gz KUXVHQZUWWPBIA-UHFFFAOYSA-N 1 2 232.287 1.042 20 0 BDADLO CC(C)OC(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000611191188 359100642 /nfs/dbraw/zinc/10/06/42/359100642.db2.gz ZTOVYBORWOOZSF-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)OC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000611191188 359100646 /nfs/dbraw/zinc/10/06/46/359100646.db2.gz ZTOVYBORWOOZSF-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO C[C@@H](O)CN(C)c1[nH+]c2ccccc2n1C ZINC000070609154 359060882 /nfs/dbraw/zinc/06/08/82/359060882.db2.gz HUKZMVWDGRHKID-SECBINFHSA-N 1 2 219.288 1.390 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)nn1C ZINC000074685364 359123998 /nfs/dbraw/zinc/12/39/98/359123998.db2.gz VYBWMPGEDXPWRO-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CC=C(C)C ZINC000611209634 359142687 /nfs/dbraw/zinc/14/26/87/359142687.db2.gz GFUXWPZPRDVSOU-NSHDSACASA-N 1 2 229.320 1.463 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CC=C(C)C ZINC000611209634 359142692 /nfs/dbraw/zinc/14/26/92/359142692.db2.gz GFUXWPZPRDVSOU-NSHDSACASA-N 1 2 229.320 1.463 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)no1 ZINC000246574238 359147854 /nfs/dbraw/zinc/14/78/54/359147854.db2.gz HUGUREYWBUWFMJ-QWRGUYRKSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)no1 ZINC000246574238 359147858 /nfs/dbraw/zinc/14/78/58/359147858.db2.gz HUGUREYWBUWFMJ-QWRGUYRKSA-N 1 2 237.303 1.379 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247498594 359226949 /nfs/dbraw/zinc/22/69/49/359226949.db2.gz HUPLQAYICYIRNX-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247498594 359226954 /nfs/dbraw/zinc/22/69/54/359226954.db2.gz HUPLQAYICYIRNX-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000248250899 359260101 /nfs/dbraw/zinc/26/01/01/359260101.db2.gz IVXIMRGRYKKNLT-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000248250899 359260103 /nfs/dbraw/zinc/26/01/03/359260103.db2.gz IVXIMRGRYKKNLT-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc(C)o2)C[C@@H](C)O1 ZINC000247701233 359242385 /nfs/dbraw/zinc/24/23/85/359242385.db2.gz XYLMCJBSNJOYOR-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc(C)o2)C[C@@H](C)O1 ZINC000247701233 359242389 /nfs/dbraw/zinc/24/23/89/359242389.db2.gz XYLMCJBSNJOYOR-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611516928 359386353 /nfs/dbraw/zinc/38/63/53/359386353.db2.gz JRNZJRFPOMGQBE-QMMMGPOBSA-N 1 2 235.274 1.915 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611516928 359386356 /nfs/dbraw/zinc/38/63/56/359386356.db2.gz JRNZJRFPOMGQBE-QMMMGPOBSA-N 1 2 235.274 1.915 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580430 359398073 /nfs/dbraw/zinc/39/80/73/359398073.db2.gz WGCQKEJKRCMPBK-HTQZYQBOSA-N 1 2 237.246 1.252 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580430 359398075 /nfs/dbraw/zinc/39/80/75/359398075.db2.gz WGCQKEJKRCMPBK-HTQZYQBOSA-N 1 2 237.246 1.252 20 0 BDADLO CCc1nocc1C(=O)NCc1[nH]c[nH+]c1C ZINC000611795111 359452866 /nfs/dbraw/zinc/45/28/66/359452866.db2.gz NSRDYUFQYLPHMG-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO COC(=O)c1ccc(Cn2cc[nH+]c2)s1 ZINC000162662225 359511879 /nfs/dbraw/zinc/51/18/79/359511879.db2.gz HGLVEMFOAKRNEW-UHFFFAOYSA-N 1 2 222.269 1.780 20 0 BDADLO COc1ccc(N[C@@H](C)[C@H](C)OC)[nH+]c1 ZINC000308941943 491140779 /nfs/dbraw/zinc/14/07/79/491140779.db2.gz MNRKGCZIVQDGDR-IUCAKERBSA-N 1 2 210.277 1.926 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000308968737 491141223 /nfs/dbraw/zinc/14/12/23/491141223.db2.gz XRGOIQDZXDBLMS-KHQFGBGNSA-N 1 2 211.309 1.792 20 0 BDADLO CCC(=O)CCC[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000450778190 202264432 /nfs/dbraw/zinc/26/44/32/202264432.db2.gz LFSMCARTGJKYGZ-LLVKDONJSA-N 1 2 240.347 1.298 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000450778190 202264435 /nfs/dbraw/zinc/26/44/35/202264435.db2.gz LFSMCARTGJKYGZ-LLVKDONJSA-N 1 2 240.347 1.298 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@H](C)OC ZINC000308963000 491141321 /nfs/dbraw/zinc/14/13/21/491141321.db2.gz SMJSLPAWHODACZ-BDAKNGLRSA-N 1 2 210.277 1.926 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612064885 359629134 /nfs/dbraw/zinc/62/91/34/359629134.db2.gz ZKPYUWJXYZXEHM-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612064885 359629143 /nfs/dbraw/zinc/62/91/43/359629143.db2.gz ZKPYUWJXYZXEHM-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000057214586 359668445 /nfs/dbraw/zinc/66/84/45/359668445.db2.gz GXFCGNALIVEDAI-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)Nc1ncccn1 ZINC000450833438 202282133 /nfs/dbraw/zinc/28/21/33/202282133.db2.gz SXRYOVQGJVTFQR-VIFPVBQESA-N 1 2 217.276 1.866 20 0 BDADLO Cc1nc(NCC(C)(C)C2(O)CCCC2)cc[nH+]1 ZINC000450910578 202306487 /nfs/dbraw/zinc/30/64/87/202306487.db2.gz AXJMVALGYJHWBX-UHFFFAOYSA-N 1 2 249.358 1.950 20 0 BDADLO COCC1(CNc2cc(C)[nH+]cn2)CCCC1 ZINC000450920616 202310595 /nfs/dbraw/zinc/31/05/95/202310595.db2.gz YZYQBHRTNVRNDF-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1C[C@@H](O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000450945633 202316371 /nfs/dbraw/zinc/31/63/71/202316371.db2.gz VHOPGTMLYBUFQY-MWLCHTKSSA-N 1 2 233.315 1.561 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000578511301 366584019 /nfs/dbraw/zinc/58/40/19/366584019.db2.gz MXXKITJBVORTTC-WCFLWFBJSA-N 1 2 245.326 1.360 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000450989436 202329746 /nfs/dbraw/zinc/32/97/46/202329746.db2.gz FHTAWWUGEXZTJU-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000450989436 202329748 /nfs/dbraw/zinc/32/97/48/202329748.db2.gz FHTAWWUGEXZTJU-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612405375 359832169 /nfs/dbraw/zinc/83/21/69/359832169.db2.gz BCVVKVLOEFYDLW-SNVBAGLBSA-N 1 2 245.326 1.504 20 0 BDADLO CSC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000451064795 202343295 /nfs/dbraw/zinc/34/32/95/202343295.db2.gz JRRCIUGPRPKMEJ-SECBINFHSA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000451064795 202343296 /nfs/dbraw/zinc/34/32/96/202343296.db2.gz JRRCIUGPRPKMEJ-SECBINFHSA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000451064795 202343297 /nfs/dbraw/zinc/34/32/97/202343297.db2.gz JRRCIUGPRPKMEJ-SECBINFHSA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000451064795 202343298 /nfs/dbraw/zinc/34/32/98/202343298.db2.gz JRRCIUGPRPKMEJ-SECBINFHSA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000451064795 202343299 /nfs/dbraw/zinc/34/32/99/202343299.db2.gz JRRCIUGPRPKMEJ-SECBINFHSA-N 1 2 226.349 1.380 20 0 BDADLO CSC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000451064795 202343300 /nfs/dbraw/zinc/34/33/00/202343300.db2.gz JRRCIUGPRPKMEJ-SECBINFHSA-N 1 2 226.349 1.380 20 0 BDADLO C[NH+]1CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000118143233 359854560 /nfs/dbraw/zinc/85/45/60/359854560.db2.gz BJDZFSTZVDKKHQ-UHFFFAOYSA-N 1 2 230.315 1.310 20 0 BDADLO C[NH+]1CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000118143233 359854570 /nfs/dbraw/zinc/85/45/70/359854570.db2.gz BJDZFSTZVDKKHQ-UHFFFAOYSA-N 1 2 230.315 1.310 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451120817 202356063 /nfs/dbraw/zinc/35/60/63/202356063.db2.gz LTNPRFVODPZPNR-DGCLKSJQSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451120817 202356064 /nfs/dbraw/zinc/35/60/64/202356064.db2.gz LTNPRFVODPZPNR-DGCLKSJQSA-N 1 2 244.354 1.971 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451120896 202358453 /nfs/dbraw/zinc/35/84/53/202358453.db2.gz MEOZLQASGFAGAR-NSHDSACASA-N 1 2 216.300 1.337 20 0 BDADLO CCCNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451120896 202358456 /nfs/dbraw/zinc/35/84/56/202358456.db2.gz MEOZLQASGFAGAR-NSHDSACASA-N 1 2 216.300 1.337 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451195558 202375966 /nfs/dbraw/zinc/37/59/66/202375966.db2.gz XXWQVFYLROHMOM-GRYCIOLGSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451195558 202375968 /nfs/dbraw/zinc/37/59/68/202375968.db2.gz XXWQVFYLROHMOM-GRYCIOLGSA-N 1 2 242.338 1.725 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@H](F)C2)n1 ZINC000451199638 202378006 /nfs/dbraw/zinc/37/80/06/202378006.db2.gz RLCQIKAVNLGQEO-RKDXNWHRSA-N 1 2 225.267 1.595 20 0 BDADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000309160547 491145693 /nfs/dbraw/zinc/14/56/93/491145693.db2.gz YWCDLJUORIPFBV-SSDOTTSWSA-N 1 2 205.265 1.292 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000087710543 359925596 /nfs/dbraw/zinc/92/55/96/359925596.db2.gz HWRGKQDARWSUPL-VXGBXAGGSA-N 1 2 235.331 1.847 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@@H]1C1CC1 ZINC000578722708 366631107 /nfs/dbraw/zinc/63/11/07/366631107.db2.gz OSQZBPDOCNATPF-LLVKDONJSA-N 1 2 248.330 1.597 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCCC[C@@H]1CO ZINC000088619494 359970305 /nfs/dbraw/zinc/97/03/05/359970305.db2.gz WGDVIIWONCHVJP-LLVKDONJSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCCC[C@@H]1CO ZINC000088619494 359970308 /nfs/dbraw/zinc/97/03/08/359970308.db2.gz WGDVIIWONCHVJP-LLVKDONJSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCC[C@H]1CO ZINC000088619500 359970430 /nfs/dbraw/zinc/97/04/30/359970430.db2.gz HZOFDOWCIXDZHV-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCC[C@H]1CO ZINC000088619500 359970433 /nfs/dbraw/zinc/97/04/33/359970433.db2.gz HZOFDOWCIXDZHV-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO COc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753570 359975261 /nfs/dbraw/zinc/97/52/61/359975261.db2.gz OEKGVVCDQCXKKV-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO COc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753570 359975265 /nfs/dbraw/zinc/97/52/65/359975265.db2.gz OEKGVVCDQCXKKV-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO COc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088753410 359975378 /nfs/dbraw/zinc/97/53/78/359975378.db2.gz INCPZYIIXMHGEC-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO COc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088753410 359975382 /nfs/dbraw/zinc/97/53/82/359975382.db2.gz INCPZYIIXMHGEC-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1[nH]nc2ccccc21 ZINC000088752408 359975607 /nfs/dbraw/zinc/97/56/07/359975607.db2.gz JQOVLKLXIGZSDE-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(CCc1ccc(F)cc1)NCc1c[nH+]c[nH]1 ZINC000088753021 359976442 /nfs/dbraw/zinc/97/64/42/359976442.db2.gz PNHQPGIWPZUDNX-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(CCc1ccc(F)cc1)NCc1c[nH]c[nH+]1 ZINC000088753021 359976446 /nfs/dbraw/zinc/97/64/46/359976446.db2.gz PNHQPGIWPZUDNX-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO COCc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088759459 359977612 /nfs/dbraw/zinc/97/76/12/359977612.db2.gz MUQUFCLPCGSVIQ-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO COCc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088759459 359977614 /nfs/dbraw/zinc/97/76/14/359977614.db2.gz MUQUFCLPCGSVIQ-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(c2ccccc2)CC1 ZINC000088759263 359977689 /nfs/dbraw/zinc/97/76/89/359977689.db2.gz NHBYLFMOGGLDOL-UHFFFAOYSA-N 1 2 241.294 1.758 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(c2ccccc2)CC1 ZINC000088759263 359977690 /nfs/dbraw/zinc/97/76/90/359977690.db2.gz NHBYLFMOGGLDOL-UHFFFAOYSA-N 1 2 241.294 1.758 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC(O)(C2CC2)C1 ZINC000089667214 360033539 /nfs/dbraw/zinc/03/35/39/360033539.db2.gz LSVFRVPLEZBMHJ-UHFFFAOYSA-N 1 2 243.310 1.534 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000612746972 360040197 /nfs/dbraw/zinc/04/01/97/360040197.db2.gz HXDCFOLMWXEFDI-NWDGAFQWSA-N 1 2 248.326 1.874 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)nc1 ZINC000089153084 359995396 /nfs/dbraw/zinc/99/53/96/359995396.db2.gz LYEXQKARNJDDHX-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)nc1 ZINC000089153084 359995397 /nfs/dbraw/zinc/99/53/97/359995397.db2.gz LYEXQKARNJDDHX-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO CCc1cc(N)nc(S[C@H]2CCCOC2)[nH+]1 ZINC000309279184 491147002 /nfs/dbraw/zinc/14/70/02/491147002.db2.gz MWAVPBQMJOKUKU-VIFPVBQESA-N 1 2 239.344 1.892 20 0 BDADLO CCn1c[nH+]cc1CN(CC(=O)OC)C(C)C ZINC000090235872 360066856 /nfs/dbraw/zinc/06/68/56/360066856.db2.gz JNKFCGIWXNWBKX-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO COC(=O)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278195 360110802 /nfs/dbraw/zinc/11/08/02/360110802.db2.gz DNDCSXFCVJDXKC-UHFFFAOYSA-N 1 2 246.266 1.786 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1cscn1 ZINC000092384177 360165713 /nfs/dbraw/zinc/16/57/13/360165713.db2.gz UGLHIGUWQFTPJI-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000092428865 360171928 /nfs/dbraw/zinc/17/19/28/360171928.db2.gz VJKRPFCRDHLURZ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000092428865 360171931 /nfs/dbraw/zinc/17/19/31/360171931.db2.gz VJKRPFCRDHLURZ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1nccc1C[N@H+](C)CCC(F)(F)F ZINC000092479457 360173991 /nfs/dbraw/zinc/17/39/91/360173991.db2.gz FVSCWSXERJGEGZ-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO Cn1nccc1C[N@@H+](C)CCC(F)(F)F ZINC000092479457 360173993 /nfs/dbraw/zinc/17/39/93/360173993.db2.gz FVSCWSXERJGEGZ-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCC1 ZINC000613001553 360259564 /nfs/dbraw/zinc/25/95/64/360259564.db2.gz LBNVTABZDPIHQY-MVWJERBFSA-N 1 2 247.342 1.828 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc[nH]n1 ZINC000093864385 360284371 /nfs/dbraw/zinc/28/43/71/360284371.db2.gz GYVNXUKXBQHPIN-LBPRGKRZSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc[nH]n1 ZINC000093864385 360284376 /nfs/dbraw/zinc/28/43/76/360284376.db2.gz GYVNXUKXBQHPIN-LBPRGKRZSA-N 1 2 245.330 1.653 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)c3nc[nH]n3)cc2[nH+]1 ZINC000095041598 360333926 /nfs/dbraw/zinc/33/39/26/360333926.db2.gz RYYMLGKXKTYRGJ-UHFFFAOYSA-N 1 2 242.242 1.242 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)c(C)[nH+]1 ZINC000094820567 360322124 /nfs/dbraw/zinc/32/21/24/360322124.db2.gz KEPJBWHUIJJQHW-SNVBAGLBSA-N 1 2 247.298 1.163 20 0 BDADLO CC(C)(F)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000633722700 360386464 /nfs/dbraw/zinc/38/64/64/360386464.db2.gz SUVLLGNEEOHKNX-QMMMGPOBSA-N 1 2 239.294 1.379 20 0 BDADLO CC(C)(F)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000633722700 360386469 /nfs/dbraw/zinc/38/64/69/360386469.db2.gz SUVLLGNEEOHKNX-QMMMGPOBSA-N 1 2 239.294 1.379 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC2(C)CCC2)c1 ZINC000578971873 366682705 /nfs/dbraw/zinc/68/27/05/366682705.db2.gz XHZUJPFSPLHTCO-UHFFFAOYSA-N 1 2 236.319 1.204 20 0 BDADLO CCC(F)(F)CNC(=O)CCCn1cc[nH+]c1 ZINC000628844347 360694429 /nfs/dbraw/zinc/69/44/29/360694429.db2.gz OOTVDRUOSBFUDE-UHFFFAOYSA-N 1 2 245.273 1.825 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C1CC1)C1CC1 ZINC000628813796 360676692 /nfs/dbraw/zinc/67/66/92/360676692.db2.gz WINVUORPUDQZED-VIFPVBQESA-N 1 2 233.315 1.742 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C1CC1)C1CC1 ZINC000628813796 360676698 /nfs/dbraw/zinc/67/66/98/360676698.db2.gz WINVUORPUDQZED-VIFPVBQESA-N 1 2 233.315 1.742 20 0 BDADLO CC(C)C[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913812 360745935 /nfs/dbraw/zinc/74/59/35/360745935.db2.gz DNJUXEMZOKXZKH-NWDGAFQWSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)C[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913812 360745939 /nfs/dbraw/zinc/74/59/39/360745939.db2.gz DNJUXEMZOKXZKH-NWDGAFQWSA-N 1 2 242.363 1.115 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC1CCC1 ZINC000628916461 360750930 /nfs/dbraw/zinc/75/09/30/360750930.db2.gz DGHUYSAEDUNKPK-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCC1CCC1 ZINC000628916461 360750933 /nfs/dbraw/zinc/75/09/33/360750933.db2.gz DGHUYSAEDUNKPK-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000628917416 360753117 /nfs/dbraw/zinc/75/31/17/360753117.db2.gz NQSOGEXLFRNGOZ-QWRGUYRKSA-N 1 2 242.363 1.115 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)C(C)(C)C ZINC000628917416 360753119 /nfs/dbraw/zinc/75/31/19/360753119.db2.gz NQSOGEXLFRNGOZ-QWRGUYRKSA-N 1 2 242.363 1.115 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1CCCCC1 ZINC000628925148 360757911 /nfs/dbraw/zinc/75/79/11/360757911.db2.gz HDQOMCHWBYDBHQ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1CCCCC1 ZINC000628925148 360757914 /nfs/dbraw/zinc/75/79/14/360757914.db2.gz HDQOMCHWBYDBHQ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628927294 360759266 /nfs/dbraw/zinc/75/92/66/360759266.db2.gz YLDKCIGFTCHOQE-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628927294 360759270 /nfs/dbraw/zinc/75/92/70/360759270.db2.gz YLDKCIGFTCHOQE-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO C/C=C\CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000629031490 360808418 /nfs/dbraw/zinc/80/84/18/360808418.db2.gz PYKHTQLJCUGKIL-IHWYPQMZSA-N 1 2 233.315 1.454 20 0 BDADLO C/C=C\CNC(=O)CCc1c[nH+]cn1C ZINC000629034321 360820506 /nfs/dbraw/zinc/82/05/06/360820506.db2.gz JKPJNQOFZVQEKO-ARJAWSKDSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)C[C@H]2C[C@H]2C1 ZINC000629047103 360842586 /nfs/dbraw/zinc/84/25/86/360842586.db2.gz FGNNWPUIADPDEQ-YABSGUDNSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)C[C@H]2C[C@H]2C1 ZINC000629047103 360842588 /nfs/dbraw/zinc/84/25/88/360842588.db2.gz FGNNWPUIADPDEQ-YABSGUDNSA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000458108003 200819552 /nfs/dbraw/zinc/81/95/52/200819552.db2.gz DYZLZBHKXMUPKW-ZWNOBZJWSA-N 1 2 235.331 1.893 20 0 BDADLO CCCCc1cc(NCc2noc(C)n2)nc[nH+]1 ZINC000631122012 361081443 /nfs/dbraw/zinc/08/14/43/361081443.db2.gz VFISEIDDEGLURJ-UHFFFAOYSA-N 1 2 247.302 1.545 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2CCOC2)cc[nH+]1 ZINC000309719018 491154970 /nfs/dbraw/zinc/15/49/70/491154970.db2.gz ZYIYQZAJCRCOGL-VIFPVBQESA-N 1 2 221.304 1.975 20 0 BDADLO CC(C)COCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000158909608 361215472 /nfs/dbraw/zinc/21/54/72/361215472.db2.gz UWVGDDYMLLLWBP-NSHDSACASA-N 1 2 213.321 1.570 20 0 BDADLO CC(C)COCC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000158909608 361215475 /nfs/dbraw/zinc/21/54/75/361215475.db2.gz UWVGDDYMLLLWBP-NSHDSACASA-N 1 2 213.321 1.570 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579000689 366691117 /nfs/dbraw/zinc/69/11/17/366691117.db2.gz DONZVAHBAKLKPT-RKDXNWHRSA-N 1 2 241.360 1.456 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579000689 366691120 /nfs/dbraw/zinc/69/11/20/366691120.db2.gz DONZVAHBAKLKPT-RKDXNWHRSA-N 1 2 241.360 1.456 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640479393 361259881 /nfs/dbraw/zinc/25/98/81/361259881.db2.gz RJILSYUFYNWXTM-LDYMZIIASA-N 1 2 224.329 1.272 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640479393 361259884 /nfs/dbraw/zinc/25/98/84/361259884.db2.gz RJILSYUFYNWXTM-LDYMZIIASA-N 1 2 224.329 1.272 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640479975 361261636 /nfs/dbraw/zinc/26/16/36/361261636.db2.gz TUUDMWLDFLYYJP-WPRPVWTQSA-N 1 2 210.302 1.018 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640479975 361261639 /nfs/dbraw/zinc/26/16/39/361261639.db2.gz TUUDMWLDFLYYJP-WPRPVWTQSA-N 1 2 210.302 1.018 20 0 BDADLO CC[N@@H+]1C[C@@H](C)N(Cc2n[nH]c(C)n2)C[C@H]1C ZINC000428296012 201006460 /nfs/dbraw/zinc/00/64/60/201006460.db2.gz UYHRORKUIITBJT-NXEZZACHSA-N 1 2 237.351 1.028 20 0 BDADLO CC[N@H+]1C[C@@H](C)N(Cc2n[nH]c(C)n2)C[C@H]1C ZINC000428296012 201006462 /nfs/dbraw/zinc/00/64/62/201006462.db2.gz UYHRORKUIITBJT-NXEZZACHSA-N 1 2 237.351 1.028 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000579105918 366710125 /nfs/dbraw/zinc/71/01/25/366710125.db2.gz JSAPETZKOPADTA-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000579105918 366710131 /nfs/dbraw/zinc/71/01/31/366710131.db2.gz JSAPETZKOPADTA-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cn(C)nn2)s1 ZINC000309773242 491156133 /nfs/dbraw/zinc/15/61/33/491156133.db2.gz LAGAGBSTEUJQDW-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000428419832 201012957 /nfs/dbraw/zinc/01/29/57/201012957.db2.gz HJMIZIQHNCWMSG-FZMZJTMJSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000428419832 201012959 /nfs/dbraw/zinc/01/29/59/201012959.db2.gz HJMIZIQHNCWMSG-FZMZJTMJSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ncn1 ZINC000428408936 201013850 /nfs/dbraw/zinc/01/38/50/201013850.db2.gz ZKXVLGARLFGKKK-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)ncn1 ZINC000428408936 201013853 /nfs/dbraw/zinc/01/38/53/201013853.db2.gz ZKXVLGARLFGKKK-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000579198280 366732614 /nfs/dbraw/zinc/73/26/14/366732614.db2.gz CEQOZOGNMXIECR-QMMMGPOBSA-N 1 2 228.299 1.675 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000640647024 361347867 /nfs/dbraw/zinc/34/78/67/361347867.db2.gz QZEFDZHCOFTGED-SNVBAGLBSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@@H]2CCOC2)[nH]1 ZINC000428941701 201050626 /nfs/dbraw/zinc/05/06/26/201050626.db2.gz KQIWQCONGGJOGV-SNVBAGLBSA-N 1 2 224.308 1.112 20 0 BDADLO CC(C)c1nc(N[C@H](CO)CC(F)F)cc[nH+]1 ZINC000428659241 201031872 /nfs/dbraw/zinc/03/18/72/201031872.db2.gz UQDSNFYXANYBPX-QMMMGPOBSA-N 1 2 245.273 1.450 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@@H]2CCOC2)[nH]1 ZINC000428941701 201050629 /nfs/dbraw/zinc/05/06/29/201050629.db2.gz KQIWQCONGGJOGV-SNVBAGLBSA-N 1 2 224.308 1.112 20 0 BDADLO O=C1OCC[C@@H]1CC[N@H+]1CCC=C(F)C1 ZINC000272535319 370688930 /nfs/dbraw/zinc/68/89/30/370688930.db2.gz RDYXMTAZSUYGBY-VIFPVBQESA-N 1 2 213.252 1.499 20 0 BDADLO O=C1OCC[C@@H]1CC[N@@H+]1CCC=C(F)C1 ZINC000272535319 370688942 /nfs/dbraw/zinc/68/89/42/370688942.db2.gz RDYXMTAZSUYGBY-VIFPVBQESA-N 1 2 213.252 1.499 20 0 BDADLO CC1(F)CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614241416 363756617 /nfs/dbraw/zinc/75/66/17/363756617.db2.gz GCLJAMWPCINJNG-QMMMGPOBSA-N 1 2 237.278 1.085 20 0 BDADLO CC1(F)CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614241416 363756624 /nfs/dbraw/zinc/75/66/24/363756624.db2.gz GCLJAMWPCINJNG-QMMMGPOBSA-N 1 2 237.278 1.085 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cccc(F)c1F ZINC000429112483 201068990 /nfs/dbraw/zinc/06/89/90/201068990.db2.gz BQQPBORDQBLVKO-UHFFFAOYSA-N 1 2 242.269 1.662 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cccc(F)c1F ZINC000429112483 201068991 /nfs/dbraw/zinc/06/89/91/201068991.db2.gz BQQPBORDQBLVKO-UHFFFAOYSA-N 1 2 242.269 1.662 20 0 BDADLO CC[C@](C)(CO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275334 363767172 /nfs/dbraw/zinc/76/71/72/363767172.db2.gz IRQBAGRCYIOTDV-CYBMUJFWSA-N 1 2 247.298 1.681 20 0 BDADLO CC[C@H](O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275370 363768079 /nfs/dbraw/zinc/76/80/79/363768079.db2.gz JAHCLCCDMIZEAK-JTQLQIEISA-N 1 2 233.271 1.434 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000428967462 201054778 /nfs/dbraw/zinc/05/47/78/201054778.db2.gz XPGZDPWFTHJBHG-PWSUYJOCSA-N 1 2 239.294 1.252 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000428967462 201054781 /nfs/dbraw/zinc/05/47/81/201054781.db2.gz XPGZDPWFTHJBHG-PWSUYJOCSA-N 1 2 239.294 1.252 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@H](C)C1 ZINC000428970260 201055255 /nfs/dbraw/zinc/05/52/55/201055255.db2.gz YEOLTBYAUAZBPB-PSASIEDQSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@H](C)C1 ZINC000428970260 201055256 /nfs/dbraw/zinc/05/52/56/201055256.db2.gz YEOLTBYAUAZBPB-PSASIEDQSA-N 1 2 224.308 1.112 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccnn2C)cn1 ZINC000428987331 201059391 /nfs/dbraw/zinc/05/93/91/201059391.db2.gz UTPALGOOQDKFDH-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccnn2C)cn1 ZINC000428987331 201059395 /nfs/dbraw/zinc/05/93/95/201059395.db2.gz UTPALGOOQDKFDH-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](O)C[C@@H]2C)s1 ZINC000429115295 201068335 /nfs/dbraw/zinc/06/83/35/201068335.db2.gz NTBLVSWBNOFSHJ-CBAPKCEASA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)s1 ZINC000429115295 201068341 /nfs/dbraw/zinc/06/83/41/201068341.db2.gz NTBLVSWBNOFSHJ-CBAPKCEASA-N 1 2 227.333 1.192 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)nn1 ZINC000429173308 201075375 /nfs/dbraw/zinc/07/53/75/201075375.db2.gz UWSTYJFAEVXLFG-JQWIXIFHSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)nn1 ZINC000429173308 201075377 /nfs/dbraw/zinc/07/53/77/201075377.db2.gz UWSTYJFAEVXLFG-JQWIXIFHSA-N 1 2 238.335 1.204 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ncccc1O ZINC000180996371 366780109 /nfs/dbraw/zinc/78/01/09/366780109.db2.gz ISQVFLGVZWFEFG-JTQLQIEISA-N 1 2 249.314 1.600 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ncccc1O ZINC000180996371 366780112 /nfs/dbraw/zinc/78/01/12/366780112.db2.gz ISQVFLGVZWFEFG-JTQLQIEISA-N 1 2 249.314 1.600 20 0 BDADLO C[C@@H]1CC[N@H+](CCOCC2CC2)CC[S@]1=O ZINC000429596392 201122102 /nfs/dbraw/zinc/12/21/02/201122102.db2.gz YBGYJDQULBBLPU-BDJLRTHQSA-N 1 2 245.388 1.256 20 0 BDADLO C[C@@H]1CC[N@@H+](CCOCC2CC2)CC[S@]1=O ZINC000429596392 201122103 /nfs/dbraw/zinc/12/21/03/201122103.db2.gz YBGYJDQULBBLPU-BDJLRTHQSA-N 1 2 245.388 1.256 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000429691074 201125554 /nfs/dbraw/zinc/12/55/54/201125554.db2.gz UUXRTIZUMLCSGD-SNVBAGLBSA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000429691074 201125556 /nfs/dbraw/zinc/12/55/56/201125556.db2.gz UUXRTIZUMLCSGD-SNVBAGLBSA-N 1 2 227.304 1.239 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cnn(C(C)C)c1 ZINC000430136829 201146506 /nfs/dbraw/zinc/14/65/06/201146506.db2.gz UWHARYQKZPWOKY-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cnn(C(C)C)c1 ZINC000430136829 201146509 /nfs/dbraw/zinc/14/65/09/201146509.db2.gz UWHARYQKZPWOKY-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO COC[C@H](Nc1[nH+]cccc1OC)C1CC1 ZINC000309963350 491158423 /nfs/dbraw/zinc/15/84/23/491158423.db2.gz MIGITIJNSITOLL-JTQLQIEISA-N 1 2 222.288 1.927 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C[C@H](C)O ZINC000433200879 201168558 /nfs/dbraw/zinc/16/85/58/201168558.db2.gz STAABNSGVDTGRH-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C[C@H](C)O ZINC000433200879 201168562 /nfs/dbraw/zinc/16/85/62/201168562.db2.gz STAABNSGVDTGRH-VIFPVBQESA-N 1 2 240.351 1.305 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000448546061 201198902 /nfs/dbraw/zinc/19/89/02/201198902.db2.gz TWDLKXWWTWXUIT-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000448546061 201198904 /nfs/dbraw/zinc/19/89/04/201198904.db2.gz TWDLKXWWTWXUIT-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO CCC[C@@](C)(O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433799324 201193837 /nfs/dbraw/zinc/19/38/37/201193837.db2.gz QMXUBZUTJHPDTE-CYBMUJFWSA-N 1 2 248.330 1.651 20 0 BDADLO CC(=O)NCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433771866 201194536 /nfs/dbraw/zinc/19/45/36/201194536.db2.gz VUJXDBJEHPXOMV-UHFFFAOYSA-N 1 2 247.302 1.156 20 0 BDADLO CCCn1nc(C)c(C[NH+]2CCOCC2)c1C ZINC000154525301 201281690 /nfs/dbraw/zinc/28/16/90/201281690.db2.gz PAGBFUPFYXWKQN-UHFFFAOYSA-N 1 2 237.347 1.742 20 0 BDADLO COCC[N@H+](CC[C@H]1CCOC1)CC(F)F ZINC000437624433 201362398 /nfs/dbraw/zinc/36/23/98/201362398.db2.gz XUPRXTCSDTUEQJ-JTQLQIEISA-N 1 2 237.290 1.627 20 0 BDADLO COCC[N@@H+](CC[C@H]1CCOC1)CC(F)F ZINC000437624433 201362402 /nfs/dbraw/zinc/36/24/02/201362402.db2.gz XUPRXTCSDTUEQJ-JTQLQIEISA-N 1 2 237.290 1.627 20 0 BDADLO CC1(C)COCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000614428948 363814343 /nfs/dbraw/zinc/81/43/43/363814343.db2.gz SBAKGFNIRWVMLJ-JTQLQIEISA-N 1 2 249.314 1.040 20 0 BDADLO CCn1c[nH+]cc1CNc1cc(OC)n[nH]1 ZINC000623628235 363854764 /nfs/dbraw/zinc/85/47/64/363854764.db2.gz CTZCLORMXDBTFL-UHFFFAOYSA-N 1 2 221.264 1.247 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccn[nH]1 ZINC000622082077 370698194 /nfs/dbraw/zinc/69/81/94/370698194.db2.gz GVKOKYQQSDXCLZ-QMMMGPOBSA-N 1 2 233.275 1.117 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)CF)C2 ZINC000614884394 364031428 /nfs/dbraw/zinc/03/14/28/364031428.db2.gz GFARUIGQDUBHSJ-IONNQARKSA-N 1 2 239.294 1.297 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)CF)CC2 ZINC000614884394 364031430 /nfs/dbraw/zinc/03/14/30/364031430.db2.gz GFARUIGQDUBHSJ-IONNQARKSA-N 1 2 239.294 1.297 20 0 BDADLO O=C(CC1CSC1)NCCCn1cc[nH+]c1 ZINC000630407903 364145673 /nfs/dbraw/zinc/14/56/73/364145673.db2.gz YWPFMMDPZDGVPU-UHFFFAOYSA-N 1 2 239.344 1.143 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2ncnn2C)cc1 ZINC000080532422 370775928 /nfs/dbraw/zinc/77/59/28/370775928.db2.gz YPICBXZAEUZOLN-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CC[NH+](CC)Cc1cn(C(C)(C)C(C)=O)nn1 ZINC000630606783 364330300 /nfs/dbraw/zinc/33/03/00/364330300.db2.gz PIYRFYGMIXYMOD-UHFFFAOYSA-N 1 2 238.335 1.444 20 0 BDADLO CC(=O)C(C)(C)n1cc(C[NH+]2CCCC2)nn1 ZINC000630606123 364337662 /nfs/dbraw/zinc/33/76/62/364337662.db2.gz UCWSSLGSZZWJMR-UHFFFAOYSA-N 1 2 236.319 1.198 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1C(F)(F)F ZINC000615028553 364394910 /nfs/dbraw/zinc/39/49/10/364394910.db2.gz BHVZYVCFNRPDDD-MRVPVSSYSA-N 1 2 247.220 1.424 20 0 BDADLO CCOC1(C(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000615039335 364403709 /nfs/dbraw/zinc/40/37/09/364403709.db2.gz KCAGHIRZYRKXFX-UHFFFAOYSA-N 1 2 249.314 1.185 20 0 BDADLO CCOC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000135404441 364437433 /nfs/dbraw/zinc/43/74/33/364437433.db2.gz FJSYRMZYYYLNMK-UHFFFAOYSA-N 1 2 223.263 1.915 20 0 BDADLO CCOC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000135404441 364437434 /nfs/dbraw/zinc/43/74/34/364437434.db2.gz FJSYRMZYYYLNMK-UHFFFAOYSA-N 1 2 223.263 1.915 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1CCC(C)(C)C ZINC000135552127 364444075 /nfs/dbraw/zinc/44/40/75/364444075.db2.gz UWDPORGXRSQRJI-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1CCC(C)(C)C ZINC000135552127 364444078 /nfs/dbraw/zinc/44/40/78/364444078.db2.gz UWDPORGXRSQRJI-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+]Cc1ncc(C(C)C)s1 ZINC000134857335 364415909 /nfs/dbraw/zinc/41/59/09/364415909.db2.gz WAMMIQSJJLIUAZ-MRVPVSSYSA-N 1 2 241.360 1.491 20 0 BDADLO Cc1cc(NC(=O)Cc2ccn(C)n2)cc[nH+]1 ZINC000181822363 366849840 /nfs/dbraw/zinc/84/98/40/366849840.db2.gz RAHMXPXHUWOJNC-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615107325 364496524 /nfs/dbraw/zinc/49/65/24/364496524.db2.gz ATKPMQYFYKYVIN-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615107325 364496532 /nfs/dbraw/zinc/49/65/32/364496532.db2.gz ATKPMQYFYKYVIN-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO CCOC(=O)C[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC000182091160 366865751 /nfs/dbraw/zinc/86/57/51/366865751.db2.gz HPMZPBZNIQQPKS-SECBINFHSA-N 1 2 237.303 1.563 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1CSC1 ZINC000630747441 364533258 /nfs/dbraw/zinc/53/32/58/364533258.db2.gz RFCGFRWYYJZDOQ-SECBINFHSA-N 1 2 239.344 1.141 20 0 BDADLO CCCn1nccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615157297 364547894 /nfs/dbraw/zinc/54/78/94/364547894.db2.gz BITAVKFBYHCVDO-SECBINFHSA-N 1 2 247.302 1.507 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000551981309 364608958 /nfs/dbraw/zinc/60/89/58/364608958.db2.gz ODSLYXXGJDAMAM-DTWKUNHWSA-N 1 2 213.256 1.955 20 0 BDADLO C[C@H](F)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000551981309 364608962 /nfs/dbraw/zinc/60/89/62/364608962.db2.gz ODSLYXXGJDAMAM-DTWKUNHWSA-N 1 2 213.256 1.955 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1CSC1 ZINC000630803815 364566542 /nfs/dbraw/zinc/56/65/42/364566542.db2.gz JCHMTYNMWPOTRW-UHFFFAOYSA-N 1 2 237.328 1.449 20 0 BDADLO CCc1noc(C[N@H+](CC)CCOC)n1 ZINC000619888237 364694780 /nfs/dbraw/zinc/69/47/80/364694780.db2.gz AYNWQSSWSHWGEX-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCc1noc(C[N@@H+](CC)CCOC)n1 ZINC000619888237 364694782 /nfs/dbraw/zinc/69/47/82/364694782.db2.gz AYNWQSSWSHWGEX-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615354439 364711649 /nfs/dbraw/zinc/71/16/49/364711649.db2.gz OUEHEUNKYCACFN-RKDXNWHRSA-N 1 2 239.294 1.379 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615354439 364711655 /nfs/dbraw/zinc/71/16/55/364711655.db2.gz OUEHEUNKYCACFN-RKDXNWHRSA-N 1 2 239.294 1.379 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSCC1 ZINC000573503013 364850349 /nfs/dbraw/zinc/85/03/49/364850349.db2.gz HKGOLZGJRXDBTQ-VIFPVBQESA-N 1 2 239.344 1.164 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSCC1 ZINC000573503013 364850351 /nfs/dbraw/zinc/85/03/51/364850351.db2.gz HKGOLZGJRXDBTQ-VIFPVBQESA-N 1 2 239.344 1.164 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C=CCCC1)C(C)C ZINC000167798945 364812144 /nfs/dbraw/zinc/81/21/44/364812144.db2.gz TZMMZSLFFWRWDD-MNOVXSKESA-N 1 2 211.305 1.882 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000573380695 364818876 /nfs/dbraw/zinc/81/88/76/364818876.db2.gz FCYYDWUNMXLOBC-VIFPVBQESA-N 1 2 236.319 1.360 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(C(C)C)no2)C1 ZINC000573904768 364941130 /nfs/dbraw/zinc/94/11/30/364941130.db2.gz LXVFOIXIRNLINO-VIFPVBQESA-N 1 2 225.292 1.586 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(C(C)C)no2)C1 ZINC000573904768 364941133 /nfs/dbraw/zinc/94/11/33/364941133.db2.gz LXVFOIXIRNLINO-VIFPVBQESA-N 1 2 225.292 1.586 20 0 BDADLO Cc1c(N[C@H](C)c2[nH]cc[nH+]2)cnn1C ZINC000336021968 541424401 /nfs/dbraw/zinc/42/44/01/541424401.db2.gz GXSCCSJQVVPKRC-SSDOTTSWSA-N 1 2 205.265 1.625 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]1C ZINC000379771846 365008146 /nfs/dbraw/zinc/00/81/46/365008146.db2.gz ARVIZXUORFDWCS-NKWVEPMBSA-N 1 2 208.265 1.278 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H]1C ZINC000379771846 365008148 /nfs/dbraw/zinc/00/81/48/365008148.db2.gz ARVIZXUORFDWCS-NKWVEPMBSA-N 1 2 208.265 1.278 20 0 BDADLO CCC(CC)[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000574237423 365016673 /nfs/dbraw/zinc/01/66/73/365016673.db2.gz ICDGOGJGSNPLNY-UHFFFAOYSA-N 1 2 223.324 1.363 20 0 BDADLO CCC(CC)[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000574237423 365016677 /nfs/dbraw/zinc/01/66/77/365016677.db2.gz ICDGOGJGSNPLNY-UHFFFAOYSA-N 1 2 223.324 1.363 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1[nH]cc[nH+]1 ZINC000574291389 365030516 /nfs/dbraw/zinc/03/05/16/365030516.db2.gz FGIBQEYOZCQZAJ-NTSWFWBYSA-N 1 2 235.209 1.785 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@]1(C)CCOC1 ZINC000574290025 365030812 /nfs/dbraw/zinc/03/08/12/365030812.db2.gz FBVGGVBSDPFXRP-LBPRGKRZSA-N 1 2 221.304 1.354 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC(C)(C)O1 ZINC000068474407 370806892 /nfs/dbraw/zinc/80/68/92/370806892.db2.gz HTHCBMRPUGLGLL-SNVBAGLBSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC(C)(C)O1 ZINC000068474407 370806895 /nfs/dbraw/zinc/80/68/95/370806895.db2.gz HTHCBMRPUGLGLL-SNVBAGLBSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1csnn1 ZINC000443783005 193029055 /nfs/dbraw/zinc/02/90/55/193029055.db2.gz CMAHRBGONKXGQP-YWVKMMECSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1csnn1 ZINC000443783005 193029058 /nfs/dbraw/zinc/02/90/58/193029058.db2.gz CMAHRBGONKXGQP-YWVKMMECSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H]([N@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000575203221 365241839 /nfs/dbraw/zinc/24/18/39/365241839.db2.gz UCMLPMFBCPJYEU-QMMMGPOBSA-N 1 2 211.313 1.077 20 0 BDADLO C[C@H]([N@@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000575203221 365241841 /nfs/dbraw/zinc/24/18/41/365241841.db2.gz UCMLPMFBCPJYEU-QMMMGPOBSA-N 1 2 211.313 1.077 20 0 BDADLO Cc1cc(C[NH+]2CCS(=O)CC2)c(C)s1 ZINC000171927608 365256991 /nfs/dbraw/zinc/25/69/91/365256991.db2.gz VCMNBFVXBWQHOY-UHFFFAOYSA-N 1 2 243.397 1.929 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(COC)no1 ZINC000182253868 366879826 /nfs/dbraw/zinc/87/98/26/366879826.db2.gz AIFFSGZUBPYYRW-UHFFFAOYSA-N 1 2 243.307 1.074 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(COC)no1 ZINC000182253868 366879832 /nfs/dbraw/zinc/87/98/32/366879832.db2.gz AIFFSGZUBPYYRW-UHFFFAOYSA-N 1 2 243.307 1.074 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000575809619 365371127 /nfs/dbraw/zinc/37/11/27/365371127.db2.gz AKNDASCEXAEWMX-MRVPVSSYSA-N 1 2 235.287 1.130 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000576085305 365475976 /nfs/dbraw/zinc/47/59/76/365475976.db2.gz FBHLTAVPUZEZRL-JTQLQIEISA-N 1 2 233.315 1.703 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576203520 365520391 /nfs/dbraw/zinc/52/03/91/365520391.db2.gz QJUKPEDUIDLKNG-AEJSXWLSSA-N 1 2 248.330 1.459 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576203520 365520394 /nfs/dbraw/zinc/52/03/94/365520394.db2.gz QJUKPEDUIDLKNG-AEJSXWLSSA-N 1 2 248.330 1.459 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCF ZINC000576119664 365492871 /nfs/dbraw/zinc/49/28/71/365492871.db2.gz NJXAQTWQGCIQFM-QMMMGPOBSA-N 1 2 213.256 1.064 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCF ZINC000576119664 365492876 /nfs/dbraw/zinc/49/28/76/365492876.db2.gz NJXAQTWQGCIQFM-QMMMGPOBSA-N 1 2 213.256 1.064 20 0 BDADLO Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cn1 ZINC000576166101 365507854 /nfs/dbraw/zinc/50/78/54/365507854.db2.gz DMHHYAXBTKBZED-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+](C)C[C@H]1CCCO1 ZINC000576169273 365508996 /nfs/dbraw/zinc/50/89/96/365508996.db2.gz DGTKEEAQYMOMNB-NXEZZACHSA-N 1 2 236.319 1.061 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+](C)C[C@H]1CCCO1 ZINC000576169273 365508999 /nfs/dbraw/zinc/50/89/99/365508999.db2.gz DGTKEEAQYMOMNB-NXEZZACHSA-N 1 2 236.319 1.061 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579610034 366907008 /nfs/dbraw/zinc/90/70/08/366907008.db2.gz PLLLAQKKNIWNEM-BBBLOLIVSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579610034 366907014 /nfs/dbraw/zinc/90/70/14/366907014.db2.gz PLLLAQKKNIWNEM-BBBLOLIVSA-N 1 2 239.319 1.128 20 0 BDADLO CC[C@@H](O)CCNc1nc(C)[nH+]cc1C ZINC000579859040 367055900 /nfs/dbraw/zinc/05/59/00/367055900.db2.gz FOBOCHSWMVCDHM-SNVBAGLBSA-N 1 2 209.293 1.088 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCOC(C)C)[C@H](C)CC ZINC000183575017 367030894 /nfs/dbraw/zinc/03/08/94/367030894.db2.gz MKUBQMIGCBVQPV-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000580025962 367137979 /nfs/dbraw/zinc/13/79/79/367137979.db2.gz FQRAXQSTPZAIAP-AXFHLTTASA-N 1 2 243.347 1.874 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C)on2)[nH+]1 ZINC000579961874 367105175 /nfs/dbraw/zinc/10/51/75/367105175.db2.gz QMTHJMZXGYJROP-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO Cc1nc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)cc[nH+]1 ZINC000580755278 367155555 /nfs/dbraw/zinc/15/55/55/367155555.db2.gz RXYAIRXICZTLPW-GXTWGEPZSA-N 1 2 247.342 1.994 20 0 BDADLO Nc1nc(NC[C@H]2CC23CC3)[nH+]c2ccccc12 ZINC000580882735 367196644 /nfs/dbraw/zinc/19/66/44/367196644.db2.gz KKWUADUGOKGSPX-SECBINFHSA-N 1 2 240.310 1.676 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000581173837 367282209 /nfs/dbraw/zinc/28/22/09/367282209.db2.gz GEEGOUYUDNVWGJ-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1nnc(C[N@@H+](C)C2CC2)n1C1CC1 ZINC000195068573 367334745 /nfs/dbraw/zinc/33/47/45/367334745.db2.gz SNZGZKQUARHLDZ-UHFFFAOYSA-N 1 2 206.293 1.516 20 0 BDADLO Cc1nnc(C[N@H+](C)C2CC2)n1C1CC1 ZINC000195068573 367334754 /nfs/dbraw/zinc/33/47/54/367334754.db2.gz SNZGZKQUARHLDZ-UHFFFAOYSA-N 1 2 206.293 1.516 20 0 BDADLO C[C@@H]([NH2+]CC1(F)CC1)c1nnc2n1CCC2 ZINC000381494761 367419420 /nfs/dbraw/zinc/41/94/20/367419420.db2.gz ZUEVJVSMTADSKC-MRVPVSSYSA-N 1 2 224.283 1.377 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+]CC(C)(F)F ZINC000381982167 367475709 /nfs/dbraw/zinc/47/57/09/367475709.db2.gz FLTSCVFKTMGUPF-SSDOTTSWSA-N 1 2 229.292 1.054 20 0 BDADLO Cc1cnc(CN[C@@H]2CCn3cc[nH+]c32)s1 ZINC000382089962 367483580 /nfs/dbraw/zinc/48/35/80/367483580.db2.gz KXYXBUNPVSKFHK-SECBINFHSA-N 1 2 234.328 1.883 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCn3ccnc32)s1 ZINC000382089962 367483588 /nfs/dbraw/zinc/48/35/88/367483588.db2.gz KXYXBUNPVSKFHK-SECBINFHSA-N 1 2 234.328 1.883 20 0 BDADLO CC(F)(F)CNC(=O)CCn1cc[nH+]c1 ZINC000565440501 325911817 /nfs/dbraw/zinc/91/18/17/325911817.db2.gz PLPPNDDADWQFPI-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000382776762 367556368 /nfs/dbraw/zinc/55/63/68/367556368.db2.gz BXDBZLJWGTWPKV-VIFPVBQESA-N 1 2 241.335 1.784 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000382776762 367556375 /nfs/dbraw/zinc/55/63/75/367556375.db2.gz BXDBZLJWGTWPKV-VIFPVBQESA-N 1 2 241.335 1.784 20 0 BDADLO Cc1cccc(C[NH2+][C@H]2CCn3ccnc32)n1 ZINC000383247231 367608349 /nfs/dbraw/zinc/60/83/49/367608349.db2.gz DNHTVGHUBGZHOU-LBPRGKRZSA-N 1 2 228.299 1.821 20 0 BDADLO OCC[N@H+](CC(F)F)CC1CC(F)(F)C1 ZINC000383073168 367593526 /nfs/dbraw/zinc/59/35/26/367593526.db2.gz RCYOKTOFPLCPNT-UHFFFAOYSA-N 1 2 229.217 1.591 20 0 BDADLO OCC[N@@H+](CC(F)F)CC1CC(F)(F)C1 ZINC000383073168 367593530 /nfs/dbraw/zinc/59/35/30/367593530.db2.gz RCYOKTOFPLCPNT-UHFFFAOYSA-N 1 2 229.217 1.591 20 0 BDADLO COCC1(O)C[NH+](C/C=C\c2ccccc2)C1 ZINC000384034289 367669965 /nfs/dbraw/zinc/66/99/65/367669965.db2.gz DEFWGPBGIRSHTD-YVMONPNESA-N 1 2 233.311 1.393 20 0 BDADLO COc1ccc[nH+]c1NCc1snnc1C ZINC000384272737 367682219 /nfs/dbraw/zinc/68/22/19/367682219.db2.gz RTSGLDMGDUBRNV-UHFFFAOYSA-N 1 2 236.300 1.862 20 0 BDADLO COc1cc(C[NH2+]Cc2nccs2)sn1 ZINC000399158041 367688763 /nfs/dbraw/zinc/68/87/63/367688763.db2.gz IBPYAPKIVUHCHT-UHFFFAOYSA-N 1 2 241.341 1.898 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000385112228 367794381 /nfs/dbraw/zinc/79/43/81/367794381.db2.gz DDWQNIOSWGQKJW-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000385112228 367794386 /nfs/dbraw/zinc/79/43/86/367794386.db2.gz DDWQNIOSWGQKJW-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CC(n2cc[nH+]c2)C1 ZINC000622372834 370876278 /nfs/dbraw/zinc/87/62/78/370876278.db2.gz ZCBIDMFSPRWHEM-JTQLQIEISA-N 1 2 217.272 1.067 20 0 BDADLO CC[C@H](C[NH2+][C@H](C(=O)OC)[C@@H](C)CC)OC ZINC000386122739 367915872 /nfs/dbraw/zinc/91/58/72/367915872.db2.gz NHOMQLZPYUNQAO-AXFHLTTASA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)(CF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581891190 367880992 /nfs/dbraw/zinc/88/09/92/367880992.db2.gz LHMFEJWBWCFRKD-SECBINFHSA-N 1 2 239.294 1.310 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1N(C)C ZINC000075685494 367943194 /nfs/dbraw/zinc/94/31/94/367943194.db2.gz CLTZJOXPDGQVIH-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1N(C)C ZINC000075685494 367943201 /nfs/dbraw/zinc/94/32/01/367943201.db2.gz CLTZJOXPDGQVIH-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO Cc1cc(C[NH2+]C[C@@H]2CCCN2C)no1 ZINC000386451348 367975659 /nfs/dbraw/zinc/97/56/59/367975659.db2.gz QSJDMCWUXZENAR-NSHDSACASA-N 1 2 209.293 1.167 20 0 BDADLO C[C@@H](CC(=O)NCC(C)(F)F)n1cc[nH+]c1 ZINC000566304836 326031818 /nfs/dbraw/zinc/03/18/18/326031818.db2.gz QQRXDQKHPWFKLS-QMMMGPOBSA-N 1 2 231.246 1.606 20 0 BDADLO COC[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566307687 326032425 /nfs/dbraw/zinc/03/24/25/326032425.db2.gz MRWNFUIJAWFEIS-QWRGUYRKSA-N 1 2 239.319 1.328 20 0 BDADLO CC(=O)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000615522671 368089966 /nfs/dbraw/zinc/08/99/66/368089966.db2.gz CWUISTULJGXPNF-GFCCVEGCSA-N 1 2 249.314 1.243 20 0 BDADLO Cc1ncc(CNc2c[nH+]cc(N(C)C)c2)cn1 ZINC000630957326 368155103 /nfs/dbraw/zinc/15/51/03/368155103.db2.gz QQJQBUDWVCGSFM-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000399505747 368170595 /nfs/dbraw/zinc/17/05/95/368170595.db2.gz JAXJORBGVJXHAR-BIIVOSGPSA-N 1 2 221.308 1.073 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@H](C)[C@H]2C)[nH+]1 ZINC000399505747 368170601 /nfs/dbraw/zinc/17/06/01/368170601.db2.gz JAXJORBGVJXHAR-BIIVOSGPSA-N 1 2 221.308 1.073 20 0 BDADLO CN(C)c1cncc(NCc2[nH]cc[nH+]2)c1 ZINC000630956737 368148087 /nfs/dbraw/zinc/14/80/87/368148087.db2.gz HYPQAZCJUDIZJN-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO CN(C)c1cncc(NCc2[nH+]ccn2C)c1 ZINC000630956901 368151685 /nfs/dbraw/zinc/15/16/85/368151685.db2.gz XXMBBNBRHBPTEN-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](F)C1 ZINC000615747173 368235253 /nfs/dbraw/zinc/23/52/53/368235253.db2.gz LILAUBLSHPCVHQ-VHSXEESVSA-N 1 2 237.278 1.016 20 0 BDADLO CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032313469 368256593 /nfs/dbraw/zinc/25/65/93/368256593.db2.gz LHCJKJISHAUZHJ-UHFFFAOYSA-N 1 2 229.283 1.568 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]1C1CC1 ZINC000615684940 368202853 /nfs/dbraw/zinc/20/28/53/368202853.db2.gz LGYVUFBRNBSFIJ-GXFFZTMASA-N 1 2 245.326 1.526 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]1C1CC1 ZINC000615684940 368202855 /nfs/dbraw/zinc/20/28/55/368202855.db2.gz LGYVUFBRNBSFIJ-GXFFZTMASA-N 1 2 245.326 1.526 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]1C1CC1 ZINC000615687437 368205357 /nfs/dbraw/zinc/20/53/57/368205357.db2.gz ZDURWWKEQWNRNB-UTUOFQBUSA-N 1 2 245.326 1.535 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1CC2(CC2)C1 ZINC000615710780 368218597 /nfs/dbraw/zinc/21/85/97/368218597.db2.gz SKSKPODVZWGUPY-UHFFFAOYSA-N 1 2 233.315 1.709 20 0 BDADLO CS[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000042796414 368320830 /nfs/dbraw/zinc/32/08/30/368320830.db2.gz RJDAPYVCKNSASN-SECBINFHSA-N 1 2 227.333 1.141 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCOC3)ccn12 ZINC000615765747 368290698 /nfs/dbraw/zinc/29/06/98/368290698.db2.gz WZCJPDRUNSOHMY-UHFFFAOYSA-N 1 2 231.255 1.073 20 0 BDADLO CCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046387644 368442503 /nfs/dbraw/zinc/44/25/03/368442503.db2.gz KLQIDMAGYVNSOS-UHFFFAOYSA-N 1 2 235.331 1.954 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000046774559 368450588 /nfs/dbraw/zinc/45/05/88/368450588.db2.gz QYLTXELQQCLPOI-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000046774559 368450593 /nfs/dbraw/zinc/45/05/93/368450593.db2.gz QYLTXELQQCLPOI-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)C ZINC000046887094 368452397 /nfs/dbraw/zinc/45/23/97/368452397.db2.gz KZLFIGSGEJQLCK-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CC1CCCC1 ZINC000061512769 368563982 /nfs/dbraw/zinc/56/39/82/368563982.db2.gz IVVMASWJVQBVIC-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO CC(C)[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000061165217 368559568 /nfs/dbraw/zinc/55/95/68/368559568.db2.gz MQHIABJDPHLAGH-UHFFFAOYSA-N 1 2 221.308 1.381 20 0 BDADLO CC(C)[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000061165217 368559573 /nfs/dbraw/zinc/55/95/73/368559573.db2.gz MQHIABJDPHLAGH-UHFFFAOYSA-N 1 2 221.308 1.381 20 0 BDADLO CC[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000066646267 368657387 /nfs/dbraw/zinc/65/73/87/368657387.db2.gz IBRCSQZREMSSHC-JTQLQIEISA-N 1 2 209.293 1.530 20 0 BDADLO CCS[C@@H](C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000067190536 368681265 /nfs/dbraw/zinc/68/12/65/368681265.db2.gz WZHKVDTUHWBFHA-LLVKDONJSA-N 1 2 244.404 1.538 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CC[C@H]1C1CC1 ZINC000457396919 203054688 /nfs/dbraw/zinc/05/46/88/203054688.db2.gz ZKRVGMYYGYFGCM-LBPRGKRZSA-N 1 2 248.330 1.467 20 0 BDADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)ccn1 ZINC000073610135 368811048 /nfs/dbraw/zinc/81/10/48/368811048.db2.gz LNBVUXCDKCJWAB-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO C[N@H+](CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000072938081 368787292 /nfs/dbraw/zinc/78/72/92/368787292.db2.gz MQHMILLCAPFOMT-ZETCQYMHSA-N 1 2 245.266 1.058 20 0 BDADLO C[N@@H+](CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000072938081 368787297 /nfs/dbraw/zinc/78/72/97/368787297.db2.gz MQHMILLCAPFOMT-ZETCQYMHSA-N 1 2 245.266 1.058 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccno2)cn1 ZINC000072981629 368789000 /nfs/dbraw/zinc/78/90/00/368789000.db2.gz AYEJCZFCFFADPZ-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccno2)cn1 ZINC000072981629 368789005 /nfs/dbraw/zinc/78/90/05/368789005.db2.gz AYEJCZFCFFADPZ-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000073073054 368792728 /nfs/dbraw/zinc/79/27/28/368792728.db2.gz JBDDOYLCIZWPDF-OLZOCXBDSA-N 1 2 241.294 1.555 20 0 BDADLO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000073120963 368794857 /nfs/dbraw/zinc/79/48/57/368794857.db2.gz XLYJLWBOOSOPCO-NSHDSACASA-N 1 2 221.304 1.532 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)c2[nH+]ccn21 ZINC000615962361 368797720 /nfs/dbraw/zinc/79/77/20/368797720.db2.gz BWCLHKLPQMCALY-SFYZADRCSA-N 1 2 231.259 1.042 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000615963941 368799768 /nfs/dbraw/zinc/79/97/68/368799768.db2.gz UHLLVMNDNIDEQH-IMSYWVGJSA-N 1 2 219.288 1.661 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nncn1C ZINC000111239011 368853725 /nfs/dbraw/zinc/85/37/25/368853725.db2.gz PENDMXZXFBECPE-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nncn1C ZINC000111239011 368853732 /nfs/dbraw/zinc/85/37/32/368853732.db2.gz PENDMXZXFBECPE-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO CCC1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616194124 369024012 /nfs/dbraw/zinc/02/40/12/369024012.db2.gz ZLIIIYOSLNPPSP-SNVBAGLBSA-N 1 2 233.315 1.383 20 0 BDADLO CCC1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616194124 369024019 /nfs/dbraw/zinc/02/40/19/369024019.db2.gz ZLIIIYOSLNPPSP-SNVBAGLBSA-N 1 2 233.315 1.383 20 0 BDADLO COC(=O)C[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000054937377 369117084 /nfs/dbraw/zinc/11/70/84/369117084.db2.gz QHRCPGLREWGMPV-NSHDSACASA-N 1 2 249.314 1.707 20 0 BDADLO CC[C@@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457857568 203113623 /nfs/dbraw/zinc/11/36/23/203113623.db2.gz MUUJRWXSFREDTM-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCC(C)(C)C)c1 ZINC000457960453 203120804 /nfs/dbraw/zinc/12/08/04/203120804.db2.gz VMQJUKWYDGKOKM-UHFFFAOYSA-N 1 2 238.335 1.308 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000458256291 203149830 /nfs/dbraw/zinc/14/98/30/203149830.db2.gz BPAXGZMWQNALJM-VHSXEESVSA-N 1 2 236.319 1.264 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000458128627 203136838 /nfs/dbraw/zinc/13/68/38/203136838.db2.gz MUOXDNNAZWONMM-OCCSQVGLSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000618874203 369233068 /nfs/dbraw/zinc/23/30/68/369233068.db2.gz MVDKMSBWVZRFGL-GHMZBOCLSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000618874203 369233071 /nfs/dbraw/zinc/23/30/71/369233071.db2.gz MVDKMSBWVZRFGL-GHMZBOCLSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NC2CCCC2)[C@@H]1C ZINC000156103503 326218765 /nfs/dbraw/zinc/21/87/65/326218765.db2.gz MAGMXOALMAPADU-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1cccn2c(NC(=O)C3(O)CCC3)c[nH+]c12 ZINC000619014806 369257784 /nfs/dbraw/zinc/25/77/84/369257784.db2.gz UDUGKNCKFVOKGN-UHFFFAOYSA-N 1 2 245.282 1.496 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000459304826 203251683 /nfs/dbraw/zinc/25/16/83/203251683.db2.gz OHXFPZHBOCKAAF-NEPJUHHUSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000459304826 203251686 /nfs/dbraw/zinc/25/16/86/203251686.db2.gz OHXFPZHBOCKAAF-NEPJUHHUSA-N 1 2 236.319 1.051 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459315088 203255089 /nfs/dbraw/zinc/25/50/89/203255089.db2.gz RLXHCMSWBGBCPJ-VIFPVBQESA-N 1 2 249.314 1.280 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459315088 203255091 /nfs/dbraw/zinc/25/50/91/203255091.db2.gz RLXHCMSWBGBCPJ-VIFPVBQESA-N 1 2 249.314 1.280 20 0 BDADLO CNC(=O)C[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000459362148 203267652 /nfs/dbraw/zinc/26/76/52/203267652.db2.gz GWCJUWRYVMOIPF-UHFFFAOYSA-N 1 2 244.697 1.623 20 0 BDADLO COCCOC1C[NH+](Cc2ccc(C)s2)C1 ZINC000459473668 203287734 /nfs/dbraw/zinc/28/77/34/203287734.db2.gz XAYVEVUCTAXWCI-UHFFFAOYSA-N 1 2 241.356 1.904 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000567722361 326247777 /nfs/dbraw/zinc/24/77/77/326247777.db2.gz BGKGPERKYPZRIO-DTWKUNHWSA-N 1 2 239.344 1.931 20 0 BDADLO CS[C@H]1CC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000567722360 326247861 /nfs/dbraw/zinc/24/78/61/326247861.db2.gz BGKGPERKYPZRIO-BDAKNGLRSA-N 1 2 239.344 1.931 20 0 BDADLO COC1C[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000459581732 203308062 /nfs/dbraw/zinc/30/80/62/203308062.db2.gz MSBHMYAHLDGMRK-UHFFFAOYSA-N 1 2 249.339 1.969 20 0 BDADLO COCCCOC1C[NH+](Cc2ccco2)C1 ZINC000459591018 203309715 /nfs/dbraw/zinc/30/97/15/203309715.db2.gz KUVQGZKQVYFPRA-UHFFFAOYSA-N 1 2 225.288 1.517 20 0 BDADLO Cc1c[nH+]c(CN2CC3(C2)CCCOC3)n1C ZINC000459600576 203312818 /nfs/dbraw/zinc/31/28/18/203312818.db2.gz AJRFVJHSKUDOCQ-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO Cc1cnc(C[NH+]2CC3(C2)CCCOC3)n1C ZINC000459600576 203312821 /nfs/dbraw/zinc/31/28/21/203312821.db2.gz AJRFVJHSKUDOCQ-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO COC(=O)c1cc(C[NH2+]C(C)(C)C(F)F)c[nH]1 ZINC000619432083 369350649 /nfs/dbraw/zinc/35/06/49/369350649.db2.gz PCSXXOVFMWSHOC-UHFFFAOYSA-N 1 2 246.257 1.935 20 0 BDADLO CCOC1C[NH+](Cc2cn(C(C)C)nc2C)C1 ZINC000459604997 203313389 /nfs/dbraw/zinc/31/33/89/203313389.db2.gz KQISGVJSXDNIOO-UHFFFAOYSA-N 1 2 237.347 1.993 20 0 BDADLO CCOC1C[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000459609365 203314156 /nfs/dbraw/zinc/31/41/56/203314156.db2.gz QDAYQJQTUBQEDM-UHFFFAOYSA-N 1 2 237.347 1.928 20 0 BDADLO Cc1ccc(CNc2cc[nH+]c(C)n2)nc1 ZINC000400896798 369356052 /nfs/dbraw/zinc/35/60/52/369356052.db2.gz OLPLRRNFPSSEKT-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC000459555829 203300597 /nfs/dbraw/zinc/30/05/97/203300597.db2.gz UZPBNALYBIWYEO-UHFFFAOYSA-N 1 2 247.342 1.073 20 0 BDADLO CC[C@H](C)C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459563056 203302214 /nfs/dbraw/zinc/30/22/14/203302214.db2.gz UJUJAQLASIFYMU-JQWIXIFHSA-N 1 2 231.336 1.590 20 0 BDADLO CCOC1(C)C[NH+](Cc2c[nH]nc2C)C1 ZINC000459617599 203316839 /nfs/dbraw/zinc/31/68/39/203316839.db2.gz HPTLYUPFGADKOW-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CCOC1C[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000459614540 203316932 /nfs/dbraw/zinc/31/69/32/203316932.db2.gz WPYFMEXDBBGBTC-UHFFFAOYSA-N 1 2 241.360 1.430 20 0 BDADLO COCC1(C)C[NH+](Cc2ncc(C)s2)C1 ZINC000459621306 203319938 /nfs/dbraw/zinc/31/99/38/203319938.db2.gz KGGNQLAQTNCZEL-UHFFFAOYSA-N 1 2 226.345 1.920 20 0 BDADLO COCCNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631030535 370962061 /nfs/dbraw/zinc/96/20/61/370962061.db2.gz UPZPBEWIBDTKFT-UHFFFAOYSA-N 1 2 234.303 1.562 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000459770763 203363299 /nfs/dbraw/zinc/36/32/99/203363299.db2.gz IIIDLYLURVWFAZ-AXFHLTTASA-N 1 2 243.347 1.874 20 0 BDADLO CCn1ncnc1C[N@H+](C)C1CC(C)(C)C1 ZINC000459770132 203364211 /nfs/dbraw/zinc/36/42/11/203364211.db2.gz RVGTWRMNGNSGAO-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CCn1ncnc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000459770132 203364213 /nfs/dbraw/zinc/36/42/13/203364213.db2.gz RVGTWRMNGNSGAO-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]1C ZINC000619665159 369517193 /nfs/dbraw/zinc/51/71/93/369517193.db2.gz JSEHDYYHSPPXDR-ZJUUUORDSA-N 1 2 222.292 1.075 20 0 BDADLO CCCCc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000631034457 370981538 /nfs/dbraw/zinc/98/15/38/370981538.db2.gz ULLZUKURPFBIIM-VIFPVBQESA-N 1 2 209.293 1.034 20 0 BDADLO CC(NC(=O)Cn1cc[nH+]c1)(C1CC1)C1CC1 ZINC000620024384 369671309 /nfs/dbraw/zinc/67/13/09/369671309.db2.gz LWIFQIXVMYLSFI-UHFFFAOYSA-N 1 2 233.315 1.578 20 0 BDADLO CCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597633 369948856 /nfs/dbraw/zinc/94/88/56/369948856.db2.gz QDFFHGSMZIMCPV-VIFPVBQESA-N 1 2 209.293 1.788 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597814 369949065 /nfs/dbraw/zinc/94/90/65/369949065.db2.gz RQZSHOBCHDROFW-IUCAKERBSA-N 1 2 209.293 1.643 20 0 BDADLO CO[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000620603019 369950413 /nfs/dbraw/zinc/95/04/13/369950413.db2.gz DRTHOYAGTRICFE-VHSXEESVSA-N 1 2 239.319 1.268 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCCCO1)c1[nH+]ccn1C ZINC000620602727 369950755 /nfs/dbraw/zinc/95/07/55/369950755.db2.gz DDNINGXTURTOGG-VHSXEESVSA-N 1 2 237.303 1.166 20 0 BDADLO C[C@@H](NC(=O)CCc1ccoc1)c1[nH+]ccn1C ZINC000620603553 369952003 /nfs/dbraw/zinc/95/20/03/369952003.db2.gz LBMYVJQYIXNZJV-SNVBAGLBSA-N 1 2 247.298 1.823 20 0 BDADLO C[C@H](NC(=O)C1CC2(CC2)C1)c1[nH+]ccn1C ZINC000620608927 369956150 /nfs/dbraw/zinc/95/61/50/369956150.db2.gz PQYLSECCPHKTCM-VIFPVBQESA-N 1 2 233.315 1.788 20 0 BDADLO CC[C@](C)(CO)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620610484 369956766 /nfs/dbraw/zinc/95/67/66/369956766.db2.gz XAGQPYRJKDCZEL-JOYOIKCWSA-N 1 2 239.319 1.006 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CC1(F)F)c1[nH+]ccn1C ZINC000620612220 369957838 /nfs/dbraw/zinc/95/78/38/369957838.db2.gz RYADMZPMQRYKCX-GMSGAONNSA-N 1 2 243.257 1.643 20 0 BDADLO C[C@H](NC(=O)[C@]12C[C@H]1CCC2)c1[nH+]ccn1C ZINC000620611320 369958341 /nfs/dbraw/zinc/95/83/41/369958341.db2.gz KOGOVXVYJABTGM-OPQQBVKSSA-N 1 2 233.315 1.788 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)on1 ZINC000620594690 369946837 /nfs/dbraw/zinc/94/68/37/369946837.db2.gz BASWZJNXGBDQEO-MRVPVSSYSA-N 1 2 234.259 1.208 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594787 369947389 /nfs/dbraw/zinc/94/73/89/369947389.db2.gz FGUGAQYOBHMGCM-IVZWLZJFSA-N 1 2 237.303 1.022 20 0 BDADLO CC[C@H](OC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597254 369947484 /nfs/dbraw/zinc/94/74/84/369947484.db2.gz YNUKJYPVLWPVNR-BDAKNGLRSA-N 1 2 225.292 1.022 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCCOC1)c1[nH+]ccn1C ZINC000620594828 369947915 /nfs/dbraw/zinc/94/79/15/369947915.db2.gz GYHBLUHPMFCZTF-VHSXEESVSA-N 1 2 237.303 1.024 20 0 BDADLO CCc1n[nH]cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620595799 369947973 /nfs/dbraw/zinc/94/79/73/369947973.db2.gz LQQRLIPGGSGTQW-MRVPVSSYSA-N 1 2 247.302 1.197 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1[nH+]ccn1C ZINC000620596638 369948097 /nfs/dbraw/zinc/94/80/97/369948097.db2.gz QEZUSBZIKGYOQN-NXEZZACHSA-N 1 2 247.302 1.055 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000074859402 370048589 /nfs/dbraw/zinc/04/85/89/370048589.db2.gz LOJRQXIQOLXLTN-UHFFFAOYSA-N 1 2 201.229 1.683 20 0 BDADLO CCc1noc(C[NH+]2C[C@H](C)S[C@@H](C)C2)n1 ZINC000075894279 370180557 /nfs/dbraw/zinc/18/05/57/370180557.db2.gz OOMXUZCJSAAEJO-IUCAKERBSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1cc(NCc2nnc(C)o2)nc[nH+]1 ZINC000309635738 370237271 /nfs/dbraw/zinc/23/72/71/370237271.db2.gz JHIMHQMNMASIOU-UHFFFAOYSA-N 1 2 219.248 1.343 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CC2 ZINC000568227977 326329671 /nfs/dbraw/zinc/32/96/71/326329671.db2.gz KIDRAUXRUJPDFJ-WCBMZHEXSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CC2 ZINC000568227977 326329672 /nfs/dbraw/zinc/32/96/72/326329672.db2.gz KIDRAUXRUJPDFJ-WCBMZHEXSA-N 1 2 219.288 1.257 20 0 BDADLO CCCN(C(=O)CCc1c[nH+]cn1C)C(C)C ZINC000568228220 326329849 /nfs/dbraw/zinc/32/98/49/326329849.db2.gz SKBYVXVTSWTSBT-UHFFFAOYSA-N 1 2 237.347 2.000 20 0 BDADLO COC[C@H]([NH2+]Cc1nccnc1C)c1ccco1 ZINC000621339123 370272096 /nfs/dbraw/zinc/27/20/96/370272096.db2.gz WKDIPZDUAGNNSA-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@H](CO)C2)nc[nH+]1 ZINC000621347872 370282750 /nfs/dbraw/zinc/28/27/50/370282750.db2.gz OFHFNOVQVCKNKP-KOLCDFICSA-N 1 2 221.304 1.240 20 0 BDADLO COC(=O)C[N@H+](Cc1cn[nH]c1)C1CCCC1 ZINC000310090287 370297653 /nfs/dbraw/zinc/29/76/53/370297653.db2.gz JBEGHQMGKWBBNR-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO COC(=O)C[N@@H+](Cc1cn[nH]c1)C1CCCC1 ZINC000310090287 370297658 /nfs/dbraw/zinc/29/76/58/370297658.db2.gz JBEGHQMGKWBBNR-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO C[C@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(N)=O ZINC000621401556 370338431 /nfs/dbraw/zinc/33/84/31/370338431.db2.gz CNDHZZIEVWDQFM-IONNQARKSA-N 1 2 234.290 1.664 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000621725258 370477319 /nfs/dbraw/zinc/47/73/19/370477319.db2.gz IOTGWODLMLQAGV-IINYFYTJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000621725258 370477321 /nfs/dbraw/zinc/47/73/21/370477321.db2.gz IOTGWODLMLQAGV-IINYFYTJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000621725260 370477326 /nfs/dbraw/zinc/47/73/26/370477326.db2.gz IOTGWODLMLQAGV-YGRLFVJLSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000621725260 370477330 /nfs/dbraw/zinc/47/73/30/370477330.db2.gz IOTGWODLMLQAGV-YGRLFVJLSA-N 1 2 247.342 1.784 20 0 BDADLO CN(Cc1ccoc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621708547 370453567 /nfs/dbraw/zinc/45/35/67/370453567.db2.gz WJXIRGMEWMXNFL-UHFFFAOYSA-N 1 2 247.298 1.939 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000621716800 370466077 /nfs/dbraw/zinc/46/60/77/370466077.db2.gz MIKSELVXCHRLKV-PHIMTYICSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000621716800 370466080 /nfs/dbraw/zinc/46/60/80/370466080.db2.gz MIKSELVXCHRLKV-PHIMTYICSA-N 1 2 219.288 1.148 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CC(C)(C)OC ZINC000568379847 326351507 /nfs/dbraw/zinc/35/15/07/326351507.db2.gz RRAXJKUVEGPRIK-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CC(C)(C)OC ZINC000568379847 326351509 /nfs/dbraw/zinc/35/15/09/326351509.db2.gz RRAXJKUVEGPRIK-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCOc1cncc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000621729436 370482253 /nfs/dbraw/zinc/48/22/53/370482253.db2.gz URUKOOQAUIJDST-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cncc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000621729436 370482258 /nfs/dbraw/zinc/48/22/58/370482258.db2.gz URUKOOQAUIJDST-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccnc2C)[C@@H](C)CO1 ZINC000621732247 370485695 /nfs/dbraw/zinc/48/56/95/370485695.db2.gz UMPGCNSZKPVLGJ-CMPLNLGQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccnc2C)[C@@H](C)CO1 ZINC000621732247 370485701 /nfs/dbraw/zinc/48/57/01/370485701.db2.gz UMPGCNSZKPVLGJ-CMPLNLGQSA-N 1 2 235.331 1.784 20 0 BDADLO c1snnc1C[NH+]1CC(CC2CC2)C1 ZINC000621740164 370497920 /nfs/dbraw/zinc/49/79/20/370497920.db2.gz BAMAXIYFADIEMR-UHFFFAOYSA-N 1 2 209.318 1.770 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCSC1)c1c[nH]c[nH+]1 ZINC000621887672 370581359 /nfs/dbraw/zinc/58/13/59/370581359.db2.gz JZTBGJGGUCOHBM-MRVPVSSYSA-N 1 2 239.344 1.309 20 0 BDADLO Cn1ccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)c1 ZINC000621900332 370589925 /nfs/dbraw/zinc/58/99/25/370589925.db2.gz YVYXCHSPSDNRLS-UHFFFAOYSA-N 1 2 246.314 1.342 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000082792040 371037178 /nfs/dbraw/zinc/03/71/78/371037178.db2.gz KMUXFHJVPBBDHQ-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000082792040 371037181 /nfs/dbraw/zinc/03/71/81/371037181.db2.gz KMUXFHJVPBBDHQ-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO CCC[C@H](O)CNc1cc(CC)[nH+]cn1 ZINC000123472489 371072164 /nfs/dbraw/zinc/07/21/64/371072164.db2.gz IWRVQVNLICJOMB-JTQLQIEISA-N 1 2 209.293 1.612 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H](NC(C)=O)C1 ZINC000623871929 371135737 /nfs/dbraw/zinc/13/57/37/371135737.db2.gz PVEGHMUWHBFCCK-LLVKDONJSA-N 1 2 249.314 1.195 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc(F)cc(F)c2)nn1 ZINC000389807675 371175953 /nfs/dbraw/zinc/17/59/53/371175953.db2.gz ATRMMNLOCMSZFF-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc(C)s2)[nH]n1 ZINC000389923106 371182105 /nfs/dbraw/zinc/18/21/05/371182105.db2.gz TZOZIZGBSPFLIH-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO CCn1cnnc1CCNc1[nH+]cccc1OC ZINC000623980464 371214288 /nfs/dbraw/zinc/21/42/88/371214288.db2.gz IMUVYHUUYYBPMP-UHFFFAOYSA-N 1 2 247.302 1.356 20 0 BDADLO CCn1cc(C[NH2+]Cc2ncnn2C(C)C)cn1 ZINC000631074811 371357334 /nfs/dbraw/zinc/35/73/34/371357334.db2.gz JRZPINOCYRLPLP-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO C/C=C/CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000624165886 371359719 /nfs/dbraw/zinc/35/97/19/371359719.db2.gz MPTCXGLOEKPNQT-RWCYGVJQSA-N 1 2 236.319 1.839 20 0 BDADLO C/C=C/CNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000624165884 371359993 /nfs/dbraw/zinc/35/99/93/371359993.db2.gz MPTCXGLOEKPNQT-DFVUYQKZSA-N 1 2 236.319 1.839 20 0 BDADLO CCCCc1cc(NC[C@@H](C)COC)nc[nH+]1 ZINC000631075957 371361216 /nfs/dbraw/zinc/36/12/16/371361216.db2.gz UBJQEIIDOZUSLK-LLVKDONJSA-N 1 2 237.347 1.936 20 0 BDADLO Cc1occc1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631072660 371340610 /nfs/dbraw/zinc/34/06/10/371340610.db2.gz YBDCLXYKYPQPDH-UHFFFAOYSA-N 1 2 233.275 1.130 20 0 BDADLO Cc1occc1CN(C)c1nc(N)nc(C)[nH+]1 ZINC000631072660 371340612 /nfs/dbraw/zinc/34/06/12/371340612.db2.gz YBDCLXYKYPQPDH-UHFFFAOYSA-N 1 2 233.275 1.130 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](O)CC(F)(F)C1 ZINC000624150709 371347262 /nfs/dbraw/zinc/34/72/62/371347262.db2.gz UOALORRYRSBDTL-MRVPVSSYSA-N 1 2 244.241 1.297 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCN(C(C)=O)C1 ZINC000624413350 371503033 /nfs/dbraw/zinc/50/30/33/371503033.db2.gz DFZWPENEGFOSDW-SNVBAGLBSA-N 1 2 235.287 1.123 20 0 BDADLO c1nc(N2CC3(C2)CCCO3)cc(NC2CC2)[nH+]1 ZINC000624544271 371538765 /nfs/dbraw/zinc/53/87/65/371538765.db2.gz KIIVYELMUMYPSL-UHFFFAOYSA-N 1 2 246.314 1.420 20 0 BDADLO c1nc(NC2CC2)cc(N2CC3(C2)CCCO3)[nH+]1 ZINC000624544271 371538773 /nfs/dbraw/zinc/53/87/73/371538773.db2.gz KIIVYELMUMYPSL-UHFFFAOYSA-N 1 2 246.314 1.420 20 0 BDADLO COC(=O)c1coc(CNCc2[nH]cc[nH+]2)c1 ZINC000228173800 372000404 /nfs/dbraw/zinc/00/04/04/372000404.db2.gz IVGHEKYDKFFMOZ-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO C[C@H]1C[C@H](Nc2c[nH+]cc(N(C)C)c2)CO1 ZINC000631202979 372233453 /nfs/dbraw/zinc/23/34/53/372233453.db2.gz GLDCWNFFGCHRRP-ONGXEEELSA-N 1 2 221.304 1.737 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000631131290 372204633 /nfs/dbraw/zinc/20/46/33/372204633.db2.gz UYFLFNVTPMCVCC-GARJFASQSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)[nH+]1 ZINC000631131290 372204639 /nfs/dbraw/zinc/20/46/39/372204639.db2.gz UYFLFNVTPMCVCC-GARJFASQSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(=O)[nH]c2)n1 ZINC000631130946 372205323 /nfs/dbraw/zinc/20/53/23/372205323.db2.gz REZGXQQJCFMPPJ-UHFFFAOYSA-N 1 2 248.286 1.504 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000631238810 372255566 /nfs/dbraw/zinc/25/55/66/372255566.db2.gz LPJDRUUAKDWMFC-WDEREUQCSA-N 1 2 249.314 1.089 20 0 BDADLO COC[C@H](CO)Nc1cc2ccccc2c[nH+]1 ZINC000631257118 372264015 /nfs/dbraw/zinc/26/40/15/372264015.db2.gz VWPKEHHQPNCHGT-LBPRGKRZSA-N 1 2 232.283 1.654 20 0 BDADLO C[C@@](O)(CO)CNc1cc2ccccc2c[nH+]1 ZINC000631258277 372264284 /nfs/dbraw/zinc/26/42/84/372264284.db2.gz OQRDWGFPCYTLQY-ZDUSSCGKSA-N 1 2 232.283 1.390 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)nn1 ZINC000631260819 372267630 /nfs/dbraw/zinc/26/76/30/372267630.db2.gz CYFVJHNPLKQFND-RKDXNWHRSA-N 1 2 248.252 1.899 20 0 BDADLO CCCCc1cc(NC/C=C\CO)nc[nH+]1 ZINC000631355117 372311478 /nfs/dbraw/zinc/31/14/78/372311478.db2.gz CEEZGCSNQGIFLV-PLNGDYQASA-N 1 2 221.304 1.202 20 0 BDADLO Cc1nc(N2CCC[C@@H](C3CCC3)C2)nc(N)[nH+]1 ZINC000631371281 372319810 /nfs/dbraw/zinc/31/98/10/372319810.db2.gz CFCBAHUZERSUFM-LLVKDONJSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](C3CCC3)C2)[nH+]1 ZINC000631371281 372319817 /nfs/dbraw/zinc/31/98/17/372319817.db2.gz CFCBAHUZERSUFM-LLVKDONJSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H](CO)C2)[nH+]1 ZINC000631427617 372357638 /nfs/dbraw/zinc/35/76/38/372357638.db2.gz LTVPTDCVBCGTAL-DTORHVGOSA-N 1 2 232.287 1.449 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000631594588 372447222 /nfs/dbraw/zinc/44/72/22/372447222.db2.gz MPHHTBOKRRWVFN-FKTZTGRPSA-N 1 2 237.303 1.148 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NCc1cocn1 ZINC000631651400 372482033 /nfs/dbraw/zinc/48/20/33/372482033.db2.gz PWQBBMRPVLFREA-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO COCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000171274791 372529907 /nfs/dbraw/zinc/52/99/07/372529907.db2.gz YGAXWVLUZCKRNC-UHFFFAOYSA-N 1 2 245.282 1.847 20 0 BDADLO COC(=O)CC[N@H+](CC(C)C)CC(F)F ZINC000171669651 372727735 /nfs/dbraw/zinc/72/77/35/372727735.db2.gz UHPNENZLRYUAGP-UHFFFAOYSA-N 1 2 223.263 1.773 20 0 BDADLO COC(=O)CC[N@@H+](CC(C)C)CC(F)F ZINC000171669651 372727742 /nfs/dbraw/zinc/72/77/42/372727742.db2.gz UHPNENZLRYUAGP-UHFFFAOYSA-N 1 2 223.263 1.773 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)c(C)c[nH+]1 ZINC000632023980 372729015 /nfs/dbraw/zinc/72/90/15/372729015.db2.gz ZRMFDHCPNALSIH-IJLUTSLNSA-N 1 2 248.326 1.872 20 0 BDADLO Cn1cc([C@H]2CC[N@H+](CC(F)F)C2)cn1 ZINC000172057887 372861993 /nfs/dbraw/zinc/86/19/93/372861993.db2.gz BHZWLPYPZJBESZ-QMMMGPOBSA-N 1 2 215.247 1.475 20 0 BDADLO Cn1cc([C@H]2CC[N@@H+](CC(F)F)C2)cn1 ZINC000172057887 372862002 /nfs/dbraw/zinc/86/20/02/372862002.db2.gz BHZWLPYPZJBESZ-QMMMGPOBSA-N 1 2 215.247 1.475 20 0 BDADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(F)F)CC2 ZINC000172588687 373018842 /nfs/dbraw/zinc/01/88/42/373018842.db2.gz CMYFPHJLOKRSED-NXEZZACHSA-N 1 2 249.301 1.503 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCCCO1 ZINC000180900480 182059261 /nfs/dbraw/zinc/05/92/61/182059261.db2.gz RYWJASOCDVCZEG-UHFFFAOYSA-N 1 2 245.282 1.431 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1ccccc1 ZINC000010809302 182070697 /nfs/dbraw/zinc/07/06/97/182070697.db2.gz GECNASNDCPHIDY-UHFFFAOYSA-N 1 2 215.256 1.200 20 0 BDADLO Cc1nc(N(C)[C@@H](C)C(C)C)nc(N)[nH+]1 ZINC000379902064 373086634 /nfs/dbraw/zinc/08/66/34/373086634.db2.gz ISCKERGWZDFXPR-ZETCQYMHSA-N 1 2 209.297 1.073 20 0 BDADLO Cc1nc(N)nc(N(C)[C@@H](C)C(C)C)[nH+]1 ZINC000379902064 373086646 /nfs/dbraw/zinc/08/66/46/373086646.db2.gz ISCKERGWZDFXPR-ZETCQYMHSA-N 1 2 209.297 1.073 20 0 BDADLO CCC[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632839425 373183240 /nfs/dbraw/zinc/18/32/40/373183240.db2.gz USNNEFOHAIOIQZ-SECBINFHSA-N 1 2 224.308 1.740 20 0 BDADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000082277981 182081496 /nfs/dbraw/zinc/08/14/96/182081496.db2.gz PHHPYQZROGQMQO-SSDOTTSWSA-N 1 2 247.220 1.678 20 0 BDADLO O=C(NC1CC1)C1CC[NH+](CC(F)F)CC1 ZINC000337319866 182094351 /nfs/dbraw/zinc/09/43/51/182094351.db2.gz APNXJKUZNFDPIF-UHFFFAOYSA-N 1 2 232.274 1.242 20 0 BDADLO O=C(NC1CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000368799331 182112478 /nfs/dbraw/zinc/11/24/78/182112478.db2.gz VKMWSYFGLQKNJF-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO O=C(NCC1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263944557 182137585 /nfs/dbraw/zinc/13/75/85/182137585.db2.gz IQHYTLDFZRKZKA-LLVKDONJSA-N 1 2 248.330 1.709 20 0 BDADLO O=C(NCC1CCC1)c1ccc2[nH+]ccn2c1 ZINC000057832833 182144483 /nfs/dbraw/zinc/14/44/83/182144483.db2.gz UVFPNAUWFCPLFL-UHFFFAOYSA-N 1 2 229.283 1.864 20 0 BDADLO COc1cccnc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000633603970 373621443 /nfs/dbraw/zinc/62/14/43/373621443.db2.gz YNIIQGHLAMDAJR-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO COc1cccnc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000633603970 373621446 /nfs/dbraw/zinc/62/14/46/373621446.db2.gz YNIIQGHLAMDAJR-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000331152566 182163171 /nfs/dbraw/zinc/16/31/71/182163171.db2.gz JRAZNMQUOOEJRN-SECBINFHSA-N 1 2 239.294 1.696 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000331152566 182163172 /nfs/dbraw/zinc/16/31/72/182163172.db2.gz JRAZNMQUOOEJRN-SECBINFHSA-N 1 2 239.294 1.696 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC12CC2 ZINC000633779220 373752079 /nfs/dbraw/zinc/75/20/79/373752079.db2.gz ZMHRVYXSFIGQQN-SNVBAGLBSA-N 1 2 219.288 1.332 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC12CC2 ZINC000633781890 373756403 /nfs/dbraw/zinc/75/64/03/373756403.db2.gz UFCLGRSDLZACMG-NSHDSACASA-N 1 2 233.315 1.412 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC12CC2 ZINC000633781889 373756812 /nfs/dbraw/zinc/75/68/12/373756812.db2.gz UFCLGRSDLZACMG-LLVKDONJSA-N 1 2 233.315 1.412 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1cscn1 ZINC000062658569 182179090 /nfs/dbraw/zinc/17/90/90/182179090.db2.gz YYNDEFRUOKTYDK-UHFFFAOYSA-N 1 2 236.300 1.160 20 0 BDADLO CCC[C@H](CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000633831418 373785091 /nfs/dbraw/zinc/78/50/91/373785091.db2.gz SVSBAMKMDZRKDD-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1cccs1 ZINC000043078375 182188848 /nfs/dbraw/zinc/18/88/48/182188848.db2.gz WTYPPRMHKTUUSA-UHFFFAOYSA-N 1 2 247.323 1.985 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000634033488 373922979 /nfs/dbraw/zinc/92/29/79/373922979.db2.gz VKNURBXHYQEXTR-BBBLOLIVSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(F)F ZINC000365866493 182210281 /nfs/dbraw/zinc/21/02/81/182210281.db2.gz BRMKYINQEGUKTN-UHFFFAOYSA-N 1 2 243.257 1.143 20 0 BDADLO O=C(NC[C@@H]1CCn2cc[nH+]c2C1)NC1CCC1 ZINC000372535290 182228199 /nfs/dbraw/zinc/22/81/99/182228199.db2.gz TWDQYMTYZFMNCT-SNVBAGLBSA-N 1 2 248.330 1.297 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000178375014 182264022 /nfs/dbraw/zinc/26/40/22/182264022.db2.gz AULUMIBXJKWBDV-LLVKDONJSA-N 1 2 245.282 1.130 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000178386497 182264491 /nfs/dbraw/zinc/26/44/91/182264491.db2.gz RGWZQDQSMAQZQD-UHFFFAOYSA-N 1 2 215.256 1.361 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc(C2CC2)on1 ZINC000070991558 182273965 /nfs/dbraw/zinc/27/39/65/182273965.db2.gz FHEWHOJZNHPQIP-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc(C3CC3)nc2)[C@@H]1C ZINC000459340164 206010556 /nfs/dbraw/zinc/01/05/56/206010556.db2.gz DVGDXPWYYXSPQB-GHMZBOCLSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc(C3CC3)nc2)[C@@H]1C ZINC000459340164 206010562 /nfs/dbraw/zinc/01/05/62/206010562.db2.gz DVGDXPWYYXSPQB-GHMZBOCLSA-N 1 2 247.342 1.963 20 0 BDADLO Cc1nn(Cc2c(C)cc(C)[nH+]c2C)c(=O)n1C ZINC000634552031 374309114 /nfs/dbraw/zinc/30/91/14/374309114.db2.gz NZZGRXQGTITKAO-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO O=C(NN1CCCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000367387470 182277063 /nfs/dbraw/zinc/27/70/63/182277063.db2.gz FKLCNLWFZSJOQX-SNVBAGLBSA-N 1 2 248.330 1.347 20 0 BDADLO O=C(NN1CCCCC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000367387470 182277065 /nfs/dbraw/zinc/27/70/65/182277065.db2.gz FKLCNLWFZSJOQX-SNVBAGLBSA-N 1 2 248.330 1.347 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336519847 182289471 /nfs/dbraw/zinc/28/94/71/182289471.db2.gz MLYBIOWEEDDAPJ-RKDXNWHRSA-N 1 2 230.258 1.209 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000437049453 206068584 /nfs/dbraw/zinc/06/85/84/206068584.db2.gz YHQHWEDUIZHRTL-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](Cc2ccon2)C1)C1CCC1 ZINC000363418597 182303089 /nfs/dbraw/zinc/30/30/89/182303089.db2.gz POWSZWZVLYVLJI-LLVKDONJSA-N 1 2 249.314 1.165 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](Cc2ccon2)C1)C1CCC1 ZINC000363418597 182303092 /nfs/dbraw/zinc/30/30/92/182303092.db2.gz POWSZWZVLYVLJI-LLVKDONJSA-N 1 2 249.314 1.165 20 0 BDADLO CC[C@H](C)Cn1ncc2c1nc[nH+]c2NC ZINC000194426035 206090173 /nfs/dbraw/zinc/09/01/73/206090173.db2.gz VZXDLTCFUSGLQE-QMMMGPOBSA-N 1 2 219.292 1.914 20 0 BDADLO CC[C@@H](F)C[N@H+](CC(N)=O)Cc1ccccc1 ZINC000440700359 206080640 /nfs/dbraw/zinc/08/06/40/206080640.db2.gz FNUPQKXTXFUSOF-GFCCVEGCSA-N 1 2 238.306 1.722 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000440700359 206080644 /nfs/dbraw/zinc/08/06/44/206080644.db2.gz FNUPQKXTXFUSOF-GFCCVEGCSA-N 1 2 238.306 1.722 20 0 BDADLO COCCOC1C[NH+](Cc2csc(C)c2)C1 ZINC000459465338 206129482 /nfs/dbraw/zinc/12/94/82/206129482.db2.gz OBBREDSDNNNWIT-UHFFFAOYSA-N 1 2 241.356 1.904 20 0 BDADLO FC(F)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000459539728 206133113 /nfs/dbraw/zinc/13/31/13/206133113.db2.gz CRNYQOVWVXMOIS-UHFFFAOYSA-N 1 2 211.215 1.918 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)F)[C@H]1SC ZINC000459545438 206133737 /nfs/dbraw/zinc/13/37/37/206133737.db2.gz LKOVNSOMDOSIFI-LKEWCRSYSA-N 1 2 225.304 1.750 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCOC1 ZINC000266045622 182374187 /nfs/dbraw/zinc/37/41/87/182374187.db2.gz GSKGUEIVAAJGHF-SECBINFHSA-N 1 2 231.255 1.309 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cncnc1 ZINC000339300706 182384617 /nfs/dbraw/zinc/38/46/17/182384617.db2.gz IZQLMTLNTXSCMY-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO NC(=O)c1cccc2c1CC[N@H+](CC1(F)CC1)C2 ZINC000668781024 487528158 /nfs/dbraw/zinc/52/81/58/487528158.db2.gz GZUJDRWFAWSRFB-UHFFFAOYSA-N 1 2 248.301 1.646 20 0 BDADLO O=C([C@H]1CCCO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120702136 182637130 /nfs/dbraw/zinc/63/71/30/182637130.db2.gz FRIHFNFDJPJAAV-WDEREUQCSA-N 1 2 249.314 1.642 20 0 BDADLO NC(=O)c1cccc2c1CC[N@@H+](CC1(F)CC1)C2 ZINC000668781024 487528162 /nfs/dbraw/zinc/52/81/62/487528162.db2.gz GZUJDRWFAWSRFB-UHFFFAOYSA-N 1 2 248.301 1.646 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@H]2CCOC2)no1 ZINC000178344834 134308766 /nfs/dbraw/zinc/30/87/66/134308766.db2.gz RJFDRFMEKJSLAA-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@H]2CCOC2)no1 ZINC000178344834 134308767 /nfs/dbraw/zinc/30/87/67/134308767.db2.gz RJFDRFMEKJSLAA-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CCOC1(C[NH2+][C@@H](CC)C(=O)OC)CCCC1 ZINC000310552076 170320077 /nfs/dbraw/zinc/32/00/77/170320077.db2.gz GSNXUTSAAFCVLA-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO OCC(F)(F)CNCc1cn2ccccc2[nH+]1 ZINC000183873136 183035106 /nfs/dbraw/zinc/03/51/06/183035106.db2.gz LXTKMCIGXQACTE-UHFFFAOYSA-N 1 2 241.241 1.052 20 0 BDADLO OCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000305760453 183061772 /nfs/dbraw/zinc/06/17/72/183061772.db2.gz YDMFUSYAAFNHIL-UHFFFAOYSA-N 1 2 218.256 1.634 20 0 BDADLO OCC[N@H+](CC[C@H]1CCCCO1)CC(F)F ZINC000361341392 183068915 /nfs/dbraw/zinc/06/89/15/183068915.db2.gz OOHCXUCSSGEVSI-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO OCC[N@@H+](CC[C@H]1CCCCO1)CC(F)F ZINC000361341392 183068916 /nfs/dbraw/zinc/06/89/16/183068916.db2.gz OOHCXUCSSGEVSI-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO OCC[N@H+](Cc1nccn1C(F)F)C1CC1 ZINC000048446454 183073366 /nfs/dbraw/zinc/07/33/66/183073366.db2.gz BBQAPARIGUFPFZ-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO OCC[N@@H+](Cc1nccn1C(F)F)C1CC1 ZINC000048446454 183073370 /nfs/dbraw/zinc/07/33/70/183073370.db2.gz BBQAPARIGUFPFZ-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO OCCOCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337418469 183082165 /nfs/dbraw/zinc/08/21/65/183082165.db2.gz SONFKNVYRGXWJR-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO OCCOCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337418469 183082170 /nfs/dbraw/zinc/08/21/70/183082170.db2.gz SONFKNVYRGXWJR-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000356278730 169012086 /nfs/dbraw/zinc/01/20/86/169012086.db2.gz JKBXQIDIIYVOII-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000328192119 169013258 /nfs/dbraw/zinc/01/32/58/169013258.db2.gz AQWWKAZZBVPGCN-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO OC[C@@H]([NH2+]Cc1cocn1)c1ccsc1 ZINC000308941019 183109065 /nfs/dbraw/zinc/10/90/65/183109065.db2.gz QCQPKYMJABXEDV-SNVBAGLBSA-N 1 2 224.285 1.559 20 0 BDADLO OC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000062999983 183109314 /nfs/dbraw/zinc/10/93/14/183109314.db2.gz WYLZLRCILUKCTB-GFCCVEGCSA-N 1 2 217.272 1.233 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000289523217 183109629 /nfs/dbraw/zinc/10/96/29/183109629.db2.gz ITYVFTITXWYLPD-LLVKDONJSA-N 1 2 209.293 1.050 20 0 BDADLO OC[C@H]1[C@@H]2CN(c3cc[nH+]c4ccncc43)C[C@H]12 ZINC000366172712 183132919 /nfs/dbraw/zinc/13/29/19/183132919.db2.gz IHJHSRDUJFOTFU-GDNZZTSVSA-N 1 2 241.294 1.304 20 0 BDADLO CCCCc1nc(C[NH2+][C@@H](CO)C(C)C)no1 ZINC000359786038 169025309 /nfs/dbraw/zinc/02/53/09/169025309.db2.gz BOSIDGBDVBABGF-JTQLQIEISA-N 1 2 241.335 1.519 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000332640583 183121994 /nfs/dbraw/zinc/12/19/94/183121994.db2.gz KDSDAGIQOIFCNG-SSDOTTSWSA-N 1 2 249.236 1.243 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000332640583 183122001 /nfs/dbraw/zinc/12/20/01/183122001.db2.gz KDSDAGIQOIFCNG-SSDOTTSWSA-N 1 2 249.236 1.243 20 0 BDADLO OC[C@@H]1CCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000370751008 183124740 /nfs/dbraw/zinc/12/47/40/183124740.db2.gz VEROYBMMLWAWRG-LLVKDONJSA-N 1 2 244.298 1.086 20 0 BDADLO CCCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000283940172 169040710 /nfs/dbraw/zinc/04/07/10/169040710.db2.gz KTJNURNKYLZNFB-ZZXKWVIFSA-N 1 2 219.288 1.824 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000294847999 183208343 /nfs/dbraw/zinc/20/83/43/183208343.db2.gz RTIDYFLXDCVZIF-LBPRGKRZSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000294847999 183208345 /nfs/dbraw/zinc/20/83/45/183208345.db2.gz RTIDYFLXDCVZIF-LBPRGKRZSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000130626484 183187577 /nfs/dbraw/zinc/18/75/77/183187577.db2.gz HEEUSIFLKBFCLX-GHMZBOCLSA-N 1 2 209.293 1.193 20 0 BDADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)C(F)(F)F ZINC000264675910 183226481 /nfs/dbraw/zinc/22/64/81/183226481.db2.gz VNBGJJRFKUOZOA-SSDOTTSWSA-N 1 2 247.220 1.689 20 0 BDADLO O[C@H]1CCCC[C@@H]1C[N@@H+]1CCn2ccnc2C1 ZINC000062323753 183231417 /nfs/dbraw/zinc/23/14/17/183231417.db2.gz QZBQDIIHAXFAIX-NEPJUHHUSA-N 1 2 235.331 1.250 20 0 BDADLO O[C@H]1CCCC[C@@H]1C[N@H+]1CCn2ccnc2C1 ZINC000062323753 183231420 /nfs/dbraw/zinc/23/14/20/183231420.db2.gz QZBQDIIHAXFAIX-NEPJUHHUSA-N 1 2 235.331 1.250 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000236555112 183239521 /nfs/dbraw/zinc/23/95/21/183239521.db2.gz AVFIFNYBCLUFGR-QMMMGPOBSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000236555112 183239523 /nfs/dbraw/zinc/23/95/23/183239523.db2.gz AVFIFNYBCLUFGR-QMMMGPOBSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@@H]1O ZINC000093483801 183244097 /nfs/dbraw/zinc/24/40/97/183244097.db2.gz HRQNRVDMZBCBGJ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@@H]1O ZINC000093483801 183244098 /nfs/dbraw/zinc/24/40/98/183244098.db2.gz HRQNRVDMZBCBGJ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1C[NH+](Cc2cc(F)cc(Cl)c2)C[C@@H]1O ZINC000278353421 183244277 /nfs/dbraw/zinc/24/42/77/183244277.db2.gz ITRHYBDNTNCUQQ-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000371300277 169116737 /nfs/dbraw/zinc/11/67/37/169116737.db2.gz NYZQNOMYTVNUFE-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000371300278 169117971 /nfs/dbraw/zinc/11/79/71/169117971.db2.gz NYZQNOMYTVNUFE-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO O[C@H]1CN(c2cc[nH+]c3ccncc32)CC12CC2 ZINC000363772106 183245770 /nfs/dbraw/zinc/24/57/70/183245770.db2.gz IHNNDCIHIYSGES-ZDUSSCGKSA-N 1 2 241.294 1.591 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccnc(N)c1 ZINC000298314232 169102210 /nfs/dbraw/zinc/10/22/10/169102210.db2.gz YTKUYAJNRGFHAK-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccnc(N)c1 ZINC000298314232 169102214 /nfs/dbraw/zinc/10/22/14/169102214.db2.gz YTKUYAJNRGFHAK-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)Cn1cccn1 ZINC000171350358 169108269 /nfs/dbraw/zinc/10/82/69/169108269.db2.gz LCRVLYBPDBGWHL-SNVBAGLBSA-N 1 2 247.289 1.221 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)Cn1cccn1 ZINC000171350358 169108271 /nfs/dbraw/zinc/10/82/71/169108271.db2.gz LCRVLYBPDBGWHL-SNVBAGLBSA-N 1 2 247.289 1.221 20 0 BDADLO Oc1ccc(F)c(C[NH2+]CCF)c1F ZINC000294522973 183272854 /nfs/dbraw/zinc/27/28/54/183272854.db2.gz CQJOZSAUNCVEDR-UHFFFAOYSA-N 1 2 205.179 1.730 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@@H+]2CCC2CC2)[nH]1 ZINC000333701753 183306816 /nfs/dbraw/zinc/30/68/16/183306816.db2.gz OETFWAVBHTWRTQ-JTQLQIEISA-N 1 2 236.319 1.837 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@H+]2CCC2CC2)[nH]1 ZINC000333701753 183306818 /nfs/dbraw/zinc/30/68/18/183306818.db2.gz OETFWAVBHTWRTQ-JTQLQIEISA-N 1 2 236.319 1.837 20 0 BDADLO Oc1cccc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195017746 183290298 /nfs/dbraw/zinc/29/02/98/183290298.db2.gz XRPKLIRPTWOXDQ-AWEZNQCLSA-N 1 2 249.310 1.384 20 0 BDADLO Oc1cccc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195017746 183290301 /nfs/dbraw/zinc/29/03/01/183290301.db2.gz XRPKLIRPTWOXDQ-AWEZNQCLSA-N 1 2 249.310 1.384 20 0 BDADLO CCCN(CC[NH+]1CCOCC1)CC(F)F ZINC000336685437 169160064 /nfs/dbraw/zinc/16/00/64/169160064.db2.gz VGLBCQSRBGJNNI-UHFFFAOYSA-N 1 2 236.306 1.296 20 0 BDADLO CCC[N@H+](CCN1CCOCC1)CC(F)F ZINC000336685437 169160065 /nfs/dbraw/zinc/16/00/65/169160065.db2.gz VGLBCQSRBGJNNI-UHFFFAOYSA-N 1 2 236.306 1.296 20 0 BDADLO CCC[N@@H+](CCN1CCOCC1)CC(F)F ZINC000336685437 169160067 /nfs/dbraw/zinc/16/00/67/169160067.db2.gz VGLBCQSRBGJNNI-UHFFFAOYSA-N 1 2 236.306 1.296 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3CC3)C2)[nH]1 ZINC000377483523 183306618 /nfs/dbraw/zinc/30/66/18/183306618.db2.gz DAMGDBPXGUGDKQ-VIFPVBQESA-N 1 2 222.292 1.100 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000377483523 183306620 /nfs/dbraw/zinc/30/66/20/183306620.db2.gz DAMGDBPXGUGDKQ-VIFPVBQESA-N 1 2 222.292 1.100 20 0 BDADLO CCCN(CCO)c1[nH]c2ccccc2[nH+]1 ZINC000042238025 169168939 /nfs/dbraw/zinc/16/89/39/169168939.db2.gz JUXXVQUTRQUCIW-UHFFFAOYSA-N 1 2 219.288 1.772 20 0 BDADLO CCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC000274183722 169183425 /nfs/dbraw/zinc/18/34/25/169183425.db2.gz CGAGLHFDUKJIQJ-UHFFFAOYSA-N 1 2 231.303 1.742 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000331368045 183307939 /nfs/dbraw/zinc/30/79/39/183307939.db2.gz GQLIYMYMNSTRQC-IUCAKERBSA-N 1 2 222.292 1.275 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000331368045 183307942 /nfs/dbraw/zinc/30/79/42/183307942.db2.gz GQLIYMYMNSTRQC-IUCAKERBSA-N 1 2 222.292 1.275 20 0 BDADLO O=c1[nH]c(CCn2cc[nH+]c2)nc2ccccc21 ZINC000339925444 183308365 /nfs/dbraw/zinc/30/83/65/183308365.db2.gz YZPNRVGKFNFSTO-UHFFFAOYSA-N 1 2 240.266 1.775 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)ccn1 ZINC000367572615 183344220 /nfs/dbraw/zinc/34/42/20/183344220.db2.gz FMWVGFJGYLRKML-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)ccn1 ZINC000367572615 183344222 /nfs/dbraw/zinc/34/42/22/183344222.db2.gz FMWVGFJGYLRKML-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)on1 ZINC000270883777 183344382 /nfs/dbraw/zinc/34/43/82/183344382.db2.gz KLNFFJCMFOCPKN-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CC2)on1 ZINC000270883777 183344383 /nfs/dbraw/zinc/34/43/83/183344383.db2.gz KLNFFJCMFOCPKN-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)n[nH]1 ZINC000281163278 183347233 /nfs/dbraw/zinc/34/72/33/183347233.db2.gz PZSXIYXGXXSJFM-MNOVXSKESA-N 1 2 207.277 1.163 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)n[nH]1 ZINC000281163278 183347235 /nfs/dbraw/zinc/34/72/35/183347235.db2.gz PZSXIYXGXXSJFM-MNOVXSKESA-N 1 2 207.277 1.163 20 0 BDADLO CCCNC(=O)CCC(=O)Nc1cc[nH+]cc1C ZINC000069210247 169214801 /nfs/dbraw/zinc/21/48/01/169214801.db2.gz WLVHRYCTGTUDLF-UHFFFAOYSA-N 1 2 249.314 1.635 20 0 BDADLO c1cc(N[C@@H]2CCO[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000340567921 183334477 /nfs/dbraw/zinc/33/44/77/183334477.db2.gz CUKLQVXOBGLTOT-DGCLKSJQSA-N 1 2 245.326 1.755 20 0 BDADLO c1cc2c(s1)CC[N@@H+](CC1OCCO1)C2 ZINC000265890214 183373310 /nfs/dbraw/zinc/37/33/10/183373310.db2.gz LEABZDSFKAJYNJ-UHFFFAOYSA-N 1 2 225.313 1.479 20 0 BDADLO c1cc2c(s1)CC[N@H+](CC1OCCO1)C2 ZINC000265890214 183373313 /nfs/dbraw/zinc/37/33/13/183373313.db2.gz LEABZDSFKAJYNJ-UHFFFAOYSA-N 1 2 225.313 1.479 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000357337444 169241334 /nfs/dbraw/zinc/24/13/34/169241334.db2.gz OEYCNYAUZVVMNX-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000357337444 169241335 /nfs/dbraw/zinc/24/13/35/169241335.db2.gz OEYCNYAUZVVMNX-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1cnccc1C ZINC000361414275 169245029 /nfs/dbraw/zinc/24/50/29/169245029.db2.gz UQJDNTSFJWIAFH-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1cnccc1C ZINC000361414275 169245031 /nfs/dbraw/zinc/24/50/31/169245031.db2.gz UQJDNTSFJWIAFH-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO c1ccc(NCCOC[C@H]2CCCO2)[nH+]c1 ZINC000301251124 183415589 /nfs/dbraw/zinc/41/55/89/183415589.db2.gz CBDGDIVWWLKZAK-LLVKDONJSA-N 1 2 222.288 1.689 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000369621866 169298964 /nfs/dbraw/zinc/29/89/64/169298964.db2.gz MCXXLLMKQQYHPD-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCCOCC1 ZINC000369621866 169298967 /nfs/dbraw/zinc/29/89/67/169298967.db2.gz MCXXLLMKQQYHPD-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCOCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378524324 169303224 /nfs/dbraw/zinc/30/32/24/169303224.db2.gz YWCFKBZQTYWNPS-SNVBAGLBSA-N 1 2 237.303 1.500 20 0 BDADLO c1cn(CCCNc2cc[nH+]c(C3CC3)n2)nn1 ZINC000302161207 183468092 /nfs/dbraw/zinc/46/80/92/183468092.db2.gz NYLDWIZMIDNJDA-UHFFFAOYSA-N 1 2 244.302 1.448 20 0 BDADLO CCC[C@@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000362107408 169359466 /nfs/dbraw/zinc/35/94/66/169359466.db2.gz URETXFVKYUFJJS-SECBINFHSA-N 1 2 224.308 1.236 20 0 BDADLO CCC[C@@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000362107408 169359467 /nfs/dbraw/zinc/35/94/67/169359467.db2.gz URETXFVKYUFJJS-SECBINFHSA-N 1 2 224.308 1.236 20 0 BDADLO CCC[C@@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000362107408 169359468 /nfs/dbraw/zinc/35/94/68/169359468.db2.gz URETXFVKYUFJJS-SECBINFHSA-N 1 2 224.308 1.236 20 0 BDADLO CCC[C@@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000362107408 169359470 /nfs/dbraw/zinc/35/94/70/169359470.db2.gz URETXFVKYUFJJS-SECBINFHSA-N 1 2 224.308 1.236 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279123371 169362479 /nfs/dbraw/zinc/36/24/79/169362479.db2.gz DCBWXEMCSSULGB-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO CC[C@H](C)[N@H+](C)Cc1noc(COC)n1 ZINC000182591112 134346102 /nfs/dbraw/zinc/34/61/02/134346102.db2.gz UHZSUMFWZHBSSD-QMMMGPOBSA-N 1 2 213.281 1.446 20 0 BDADLO CC[C@H](C)[N@@H+](C)Cc1noc(COC)n1 ZINC000182591112 134346103 /nfs/dbraw/zinc/34/61/03/134346103.db2.gz UHZSUMFWZHBSSD-QMMMGPOBSA-N 1 2 213.281 1.446 20 0 BDADLO C[C@@H]1CN(C)CC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000225140587 134350988 /nfs/dbraw/zinc/35/09/88/134350988.db2.gz QPBKBZLKJJQZST-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO C[C@@H]1CN(C)CC[N@H+]1CCC(=O)OC(C)(C)C ZINC000225140587 134350989 /nfs/dbraw/zinc/35/09/89/134350989.db2.gz QPBKBZLKJJQZST-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCn2cccn2)o1 ZINC000111279057 383852547 /nfs/dbraw/zinc/85/25/47/383852547.db2.gz YIUJHNVQYYCMBU-VIFPVBQESA-N 1 2 235.291 1.268 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCn2cccn2)o1 ZINC000111279057 383852551 /nfs/dbraw/zinc/85/25/51/383852551.db2.gz YIUJHNVQYYCMBU-VIFPVBQESA-N 1 2 235.291 1.268 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000313089190 383864762 /nfs/dbraw/zinc/86/47/62/383864762.db2.gz SAJJICXNJBEQMU-VIFPVBQESA-N 1 2 229.320 1.343 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CCn1cccn1 ZINC000111695379 383875500 /nfs/dbraw/zinc/87/55/00/383875500.db2.gz MIAPQXUONRHZHH-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CCn1cccn1 ZINC000111695379 383875504 /nfs/dbraw/zinc/87/55/04/383875504.db2.gz MIAPQXUONRHZHH-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO CCn1nnc(C)c1CNc1ccc(C)[nH+]c1 ZINC000560113896 383907303 /nfs/dbraw/zinc/90/73/03/383907303.db2.gz PACCHQXDNLSDDA-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccccn1 ZINC000112337757 383916679 /nfs/dbraw/zinc/91/66/79/383916679.db2.gz LUOVKXRKGPGSDW-SNVBAGLBSA-N 1 2 216.288 1.666 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000050115507 383923075 /nfs/dbraw/zinc/92/30/75/383923075.db2.gz RUQCMCBVCOBLPA-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000050115507 383923082 /nfs/dbraw/zinc/92/30/82/383923082.db2.gz RUQCMCBVCOBLPA-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO CCN(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000112558567 383930619 /nfs/dbraw/zinc/93/06/19/383930619.db2.gz WDBWHKDJJOAWMQ-UHFFFAOYSA-N 1 2 207.277 1.173 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493280675 533019945 /nfs/dbraw/zinc/01/99/45/533019945.db2.gz BINPLHSHQUIRQT-WTSVBCDHSA-N 1 2 205.261 1.338 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000085494467 383883383 /nfs/dbraw/zinc/88/33/83/383883383.db2.gz KAQARGPZPUTKTE-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1noc(CCNc2cc[nH+]c(C3CC3)n2)n1 ZINC000112077848 383893969 /nfs/dbraw/zinc/89/39/69/383893969.db2.gz WWWONKMBWYNOAR-UHFFFAOYSA-N 1 2 245.286 1.700 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000559349738 383896697 /nfs/dbraw/zinc/89/66/97/383896697.db2.gz LLPAHMIZUFOYDX-JGVFFNPUSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000559349738 383896702 /nfs/dbraw/zinc/89/67/02/383896702.db2.gz LLPAHMIZUFOYDX-JGVFFNPUSA-N 1 2 207.277 1.787 20 0 BDADLO Cc1cc(C)cc(N(C)C(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088372133 383898936 /nfs/dbraw/zinc/89/89/36/383898936.db2.gz BVCWISWDYGILSL-CYBMUJFWSA-N 1 2 248.326 1.255 20 0 BDADLO CO[C@@H](C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068570548 383999903 /nfs/dbraw/zinc/99/99/03/383999903.db2.gz KRUOQJFMZTUNJL-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO CC[C@@H](O)[C@H](CC)Nc1nc[nH+]c(N)c1Cl ZINC000313153656 383962417 /nfs/dbraw/zinc/96/24/17/383962417.db2.gz AQCOUBXOAQASQI-NKWVEPMBSA-N 1 2 244.726 1.674 20 0 BDADLO CC[C@@H](O)[C@H](CC)Nc1[nH+]cnc(N)c1Cl ZINC000313153656 383962424 /nfs/dbraw/zinc/96/24/24/383962424.db2.gz AQCOUBXOAQASQI-NKWVEPMBSA-N 1 2 244.726 1.674 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)C(F)F ZINC000449359010 383974079 /nfs/dbraw/zinc/97/40/79/383974079.db2.gz HCHVURZIQJQXFX-YUMQZZPRSA-N 1 2 243.319 1.443 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000090008575 384022763 /nfs/dbraw/zinc/02/27/63/384022763.db2.gz ZARUIKVRUIDOAT-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000090008575 384022766 /nfs/dbraw/zinc/02/27/66/384022766.db2.gz ZARUIKVRUIDOAT-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCSCC1)C2 ZINC000309602291 384045254 /nfs/dbraw/zinc/04/52/54/384045254.db2.gz KJAKPXVITPCETI-SNVBAGLBSA-N 1 2 237.372 1.752 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1F)n1cc[nH+]c1 ZINC000566302989 384029589 /nfs/dbraw/zinc/02/95/89/384029589.db2.gz CJHKOCQPAHWJRR-OUAUKWLOSA-N 1 2 239.294 1.841 20 0 BDADLO Cc1cc(NC(=O)CC2CCC(=O)CC2)cc[nH+]1 ZINC000530448425 384034735 /nfs/dbraw/zinc/03/47/35/384034735.db2.gz JQBLRERREDEGSB-UHFFFAOYSA-N 1 2 246.310 1.900 20 0 BDADLO COC(=O)c1cc(C[NH+]2CC3(CC3)C2)oc1C ZINC000449371407 384041532 /nfs/dbraw/zinc/04/15/32/384041532.db2.gz UPAGNGJVLFBDLL-UHFFFAOYSA-N 1 2 235.283 1.970 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566305211 384041607 /nfs/dbraw/zinc/04/16/07/384041607.db2.gz VHVUEQROPOJOIV-HBNTYKKESA-N 1 2 221.304 1.749 20 0 BDADLO COC(=O)C[C@@H](C)SCc1[nH+]ccn1C ZINC000078817695 384082963 /nfs/dbraw/zinc/08/29/63/384082963.db2.gz FQUAFXXMZQGJEW-MRVPVSSYSA-N 1 2 228.317 1.605 20 0 BDADLO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ncn(C)n1 ZINC000090969272 384085442 /nfs/dbraw/zinc/08/54/42/384085442.db2.gz QKQOPYBBMYOIBV-QMTHXVAHSA-N 1 2 242.326 1.838 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncn(C)n1)CC2 ZINC000090969481 384087490 /nfs/dbraw/zinc/08/74/90/384087490.db2.gz AXPPLWUIHYNYMO-ZDUSSCGKSA-N 1 2 242.326 1.901 20 0 BDADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2csnn2)C1 ZINC000332636162 384090632 /nfs/dbraw/zinc/09/06/32/384090632.db2.gz JLBWNNKZJCRDLK-SECBINFHSA-N 1 2 226.305 1.285 20 0 BDADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2csnn2)C1 ZINC000332636162 384090636 /nfs/dbraw/zinc/09/06/36/384090636.db2.gz JLBWNNKZJCRDLK-SECBINFHSA-N 1 2 226.305 1.285 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000070142689 384081446 /nfs/dbraw/zinc/08/14/46/384081446.db2.gz KKVWWRRMZUQRHR-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)cc1 ZINC000070142689 384081449 /nfs/dbraw/zinc/08/14/49/384081449.db2.gz KKVWWRRMZUQRHR-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO CC(F)(F)CNC(=O)CCCn1cc[nH+]c1 ZINC000647258955 384098871 /nfs/dbraw/zinc/09/88/71/384098871.db2.gz KYRCDBVMLDNGLT-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO COC(=O)c1cc(C[NH2+]C(CF)CF)c[nH]1 ZINC000449382307 384108521 /nfs/dbraw/zinc/10/85/21/384108521.db2.gz WFQFKQMTHLGLQB-UHFFFAOYSA-N 1 2 232.230 1.199 20 0 BDADLO O=C(C1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082275697 384093406 /nfs/dbraw/zinc/09/34/06/384093406.db2.gz AHUDUIQMSCTAQF-NSHDSACASA-N 1 2 219.288 1.457 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)c(C)o1 ZINC000070651623 384130321 /nfs/dbraw/zinc/13/03/21/384130321.db2.gz KJOFPJWPJJQAES-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO O=C(CCc1ccco1)NCc1[nH]cc[nH+]1 ZINC000070651500 384131125 /nfs/dbraw/zinc/13/11/25/384131125.db2.gz UZTYXTTYIINRTB-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CC[C@@H]([NH2+]CCOCC1CCCC1)C(=O)OC ZINC000313247942 384147865 /nfs/dbraw/zinc/14/78/65/384147865.db2.gz BAXBCRMPSLLVQU-GFCCVEGCSA-N 1 2 243.347 1.734 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCc2ccccc2C1 ZINC000070921289 384141467 /nfs/dbraw/zinc/14/14/67/384141467.db2.gz RTWIMASAGOBDRZ-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO Cn1ccnc1C[N@H+]1CCc2ccccc2C1 ZINC000070921289 384141469 /nfs/dbraw/zinc/14/14/69/384141469.db2.gz RTWIMASAGOBDRZ-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332735431 384145495 /nfs/dbraw/zinc/14/54/95/384145495.db2.gz XXKBFBRJMRWVLF-QMMMGPOBSA-N 1 2 224.308 1.378 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332735431 384145500 /nfs/dbraw/zinc/14/55/00/384145500.db2.gz XXKBFBRJMRWVLF-QMMMGPOBSA-N 1 2 224.308 1.378 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000569520482 384168414 /nfs/dbraw/zinc/16/84/14/384168414.db2.gz BAPPBTBUNMXDLK-SNVBAGLBSA-N 1 2 223.320 1.466 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370391467 384184850 /nfs/dbraw/zinc/18/48/50/384184850.db2.gz QYPVFKRPVPDHMX-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO COC1CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493248833 533043676 /nfs/dbraw/zinc/04/36/76/533043676.db2.gz GEWDQLJSZSOEOB-VOTSOKGWSA-N 1 2 249.314 1.497 20 0 BDADLO Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)o1 ZINC000092586516 384186478 /nfs/dbraw/zinc/18/64/78/384186478.db2.gz TTWWHAFSESLRAZ-UHFFFAOYSA-N 1 2 244.285 1.971 20 0 BDADLO Cn1nncc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000092728498 384191540 /nfs/dbraw/zinc/19/15/40/384191540.db2.gz KWZMZBJRUAHIEA-LLVKDONJSA-N 1 2 246.318 1.265 20 0 BDADLO CSc1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000092851481 384196476 /nfs/dbraw/zinc/19/64/76/384196476.db2.gz SLSVAMOYJXRDTN-UHFFFAOYSA-N 1 2 248.355 1.827 20 0 BDADLO CCCCOCC(=O)NCCCn1cc[nH+]c1 ZINC000118303427 384197094 /nfs/dbraw/zinc/19/70/94/384197094.db2.gz JKOFFTMSWJLZKB-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1(C)CC1 ZINC000358005171 384234279 /nfs/dbraw/zinc/23/42/79/384234279.db2.gz QNHNPNIDLARDEY-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO CCC[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000132536192 384235526 /nfs/dbraw/zinc/23/55/26/384235526.db2.gz KQVFVGWENBHLFK-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO Cc1cc(N)cc(NCc2[nH+]ccn2C)c1 ZINC000167000610 384240537 /nfs/dbraw/zinc/24/05/37/384240537.db2.gz DQSPGBBBAILSQD-UHFFFAOYSA-N 1 2 216.288 1.923 20 0 BDADLO Cc1cccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000072969485 384240518 /nfs/dbraw/zinc/24/05/18/384240518.db2.gz MFQCDBCCZLROCV-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ncccc1C ZINC000093256588 384222583 /nfs/dbraw/zinc/22/25/83/384222583.db2.gz ZDNWLVHYPDGDLE-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ncccc1C ZINC000093256588 384222588 /nfs/dbraw/zinc/22/25/88/384222588.db2.gz ZDNWLVHYPDGDLE-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CC[C@@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000644157569 384227224 /nfs/dbraw/zinc/22/72/24/384227224.db2.gz QDWDHVMGNRRJAP-SNVBAGLBSA-N 1 2 229.287 1.651 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000093528235 384247517 /nfs/dbraw/zinc/24/75/17/384247517.db2.gz FRURFWRZRBBBIP-LLVKDONJSA-N 1 2 211.261 1.127 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000093528235 384247519 /nfs/dbraw/zinc/24/75/19/384247519.db2.gz FRURFWRZRBBBIP-LLVKDONJSA-N 1 2 211.261 1.127 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000558700121 384251831 /nfs/dbraw/zinc/25/18/31/384251831.db2.gz POPRPSYLCKFLKG-JTQLQIEISA-N 1 2 221.304 1.530 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1F ZINC000333242941 384254510 /nfs/dbraw/zinc/25/45/10/384254510.db2.gz FDVRKUXLEDVPRI-XXFPWJFMSA-N 1 2 237.278 1.131 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1F ZINC000333242941 384254518 /nfs/dbraw/zinc/25/45/18/384254518.db2.gz FDVRKUXLEDVPRI-XXFPWJFMSA-N 1 2 237.278 1.131 20 0 BDADLO COC(=O)C[N@@H+]1CCc2cccc(C)c2C1 ZINC000082791943 384267375 /nfs/dbraw/zinc/26/73/75/384267375.db2.gz BEIUNGRDGQPWNP-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO COC(=O)C[N@H+]1CCc2cccc(C)c2C1 ZINC000082791943 384267382 /nfs/dbraw/zinc/26/73/82/384267382.db2.gz BEIUNGRDGQPWNP-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1c1nc(C)[nH+]c(N)n1 ZINC000304397237 384268260 /nfs/dbraw/zinc/26/82/60/384268260.db2.gz AFGRYPOFKMVRCZ-VXNVDRBHSA-N 1 2 221.308 1.530 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1c1nc(N)nc(C)[nH+]1 ZINC000304397237 384268262 /nfs/dbraw/zinc/26/82/62/384268262.db2.gz AFGRYPOFKMVRCZ-VXNVDRBHSA-N 1 2 221.308 1.530 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N)n2)s1 ZINC000304434408 384305405 /nfs/dbraw/zinc/30/54/05/384305405.db2.gz GVKVTBNLLVOHOT-UHFFFAOYSA-N 1 2 235.316 1.744 20 0 BDADLO Cc1ccc(CNc2nc(N)nc(C)[nH+]2)s1 ZINC000304434408 384305409 /nfs/dbraw/zinc/30/54/09/384305409.db2.gz GVKVTBNLLVOHOT-UHFFFAOYSA-N 1 2 235.316 1.744 20 0 BDADLO C[C@@H](NC(=O)[C@H]1O[C@H](C)C[C@H]1C)c1[nH]cc[nH+]1 ZINC000560699783 384306007 /nfs/dbraw/zinc/30/60/07/384306007.db2.gz HZZRGWMIZHVHDW-KYXWUPHJSA-N 1 2 237.303 1.400 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCOC2(CCC2)C1 ZINC000179592211 384310524 /nfs/dbraw/zinc/31/05/24/384310524.db2.gz RTMRYCVMTBCFJZ-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCOC2(CCC2)C1 ZINC000179592211 384310533 /nfs/dbraw/zinc/31/05/33/384310533.db2.gz RTMRYCVMTBCFJZ-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000119878521 384312450 /nfs/dbraw/zinc/31/24/50/384312450.db2.gz TVBBASQJWGUYED-CYBMUJFWSA-N 1 2 249.310 1.141 20 0 BDADLO COC(=O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000119878521 384312453 /nfs/dbraw/zinc/31/24/53/384312453.db2.gz TVBBASQJWGUYED-CYBMUJFWSA-N 1 2 249.310 1.141 20 0 BDADLO O=C1C[N@H+](Cc2ccccn2)[C@H]2CCCC[C@H]2N1 ZINC000133530327 384296499 /nfs/dbraw/zinc/29/64/99/384296499.db2.gz PHUCNNIVGZVCPU-OLZOCXBDSA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2ccccn2)[C@H]2CCCC[C@H]2N1 ZINC000133530327 384296504 /nfs/dbraw/zinc/29/65/04/384296504.db2.gz PHUCNNIVGZVCPU-OLZOCXBDSA-N 1 2 245.326 1.325 20 0 BDADLO CCCC(O)(CCC)C[NH2+]Cc1ccn[nH]1 ZINC000119718862 384298060 /nfs/dbraw/zinc/29/80/60/384298060.db2.gz FLEXPTCWPIFPBC-UHFFFAOYSA-N 1 2 225.336 1.831 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C12CC(C1)C2 ZINC000625605869 384346842 /nfs/dbraw/zinc/34/68/42/384346842.db2.gz FBEBYBVOZBFYHR-UHFFFAOYSA-N 1 2 216.284 1.805 20 0 BDADLO CC(C)c1cc(C(=O)NCCn2cc[nH+]c2)no1 ZINC000120396461 384348976 /nfs/dbraw/zinc/34/89/76/384348976.db2.gz YDRFOOWYBXYVFW-UHFFFAOYSA-N 1 2 248.286 1.425 20 0 BDADLO CCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120364383 384349805 /nfs/dbraw/zinc/34/98/05/384349805.db2.gz QWEVFLMUWNLINB-UHFFFAOYSA-N 1 2 221.304 1.847 20 0 BDADLO Cc1ccoc1CNc1cc(C)[nH+]cn1 ZINC000336471601 384355605 /nfs/dbraw/zinc/35/56/05/384355605.db2.gz RFNJLBKWEVWERW-UHFFFAOYSA-N 1 2 203.245 1.720 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000188075343 384359439 /nfs/dbraw/zinc/35/94/39/384359439.db2.gz QSSFYWVMJSTBSF-GXSJLCMTSA-N 1 2 236.315 1.710 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000188075343 384359442 /nfs/dbraw/zinc/35/94/42/384359442.db2.gz QSSFYWVMJSTBSF-GXSJLCMTSA-N 1 2 236.315 1.710 20 0 BDADLO O=C(c1cc[nH]n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120123885 384328088 /nfs/dbraw/zinc/32/80/88/384328088.db2.gz SDQJBMFAJJGAAU-JTQLQIEISA-N 1 2 245.286 1.500 20 0 BDADLO O=C(c1ccn[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120123885 384328097 /nfs/dbraw/zinc/32/80/97/384328097.db2.gz SDQJBMFAJJGAAU-JTQLQIEISA-N 1 2 245.286 1.500 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120811691 384382733 /nfs/dbraw/zinc/38/27/33/384382733.db2.gz XFOXTHLTNZYVGG-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000078492064 384449219 /nfs/dbraw/zinc/44/92/19/384449219.db2.gz AFKHVZPZZXTXIA-UHFFFAOYSA-N 1 2 245.319 1.302 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000078492064 384449225 /nfs/dbraw/zinc/44/92/25/384449225.db2.gz AFKHVZPZZXTXIA-UHFFFAOYSA-N 1 2 245.319 1.302 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1csc(Cl)n1 ZINC000289503902 384429742 /nfs/dbraw/zinc/42/97/42/384429742.db2.gz DTCUUYCNTNAGKT-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1csc(Cl)n1 ZINC000289503902 384429748 /nfs/dbraw/zinc/42/97/48/384429748.db2.gz DTCUUYCNTNAGKT-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@](C)(CO)NC(=O)Nc1cc[nH+]cc1C ZINC000121710313 384436647 /nfs/dbraw/zinc/43/66/47/384436647.db2.gz XISHEYUHSPZPAQ-GFCCVEGCSA-N 1 2 237.303 1.673 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ncc(C)o2)CCO1 ZINC000135712428 384462452 /nfs/dbraw/zinc/46/24/52/384462452.db2.gz VEGPZABONXXKJP-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ncc(C)o2)CCO1 ZINC000135712428 384462458 /nfs/dbraw/zinc/46/24/58/384462458.db2.gz VEGPZABONXXKJP-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCNC(=O)C1 ZINC000078847180 384469451 /nfs/dbraw/zinc/46/94/51/384469451.db2.gz AZSZURDOTOQNRB-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCNC(=O)C1 ZINC000078847180 384469461 /nfs/dbraw/zinc/46/94/61/384469461.db2.gz AZSZURDOTOQNRB-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000600968941 384474088 /nfs/dbraw/zinc/47/40/88/384474088.db2.gz OEVFDQATYMLKGD-NSHDSACASA-N 1 2 248.330 1.132 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000600968941 384474095 /nfs/dbraw/zinc/47/40/95/384474095.db2.gz OEVFDQATYMLKGD-NSHDSACASA-N 1 2 248.330 1.132 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2ccccn2)C1 ZINC000561070608 384475418 /nfs/dbraw/zinc/47/54/18/384475418.db2.gz QXNQNQOPMLCDCT-UHFFFAOYSA-N 1 2 233.315 1.040 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647271096 384477052 /nfs/dbraw/zinc/47/70/52/384477052.db2.gz RTPMWXAWGLWVGP-NXEZZACHSA-N 1 2 239.294 1.310 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)NC1CC1)C1CC1 ZINC000556784138 384481405 /nfs/dbraw/zinc/48/14/05/384481405.db2.gz RNSNNJIIYDYXSV-SNVBAGLBSA-N 1 2 234.303 1.333 20 0 BDADLO C[C@H](CO)CSCCn1cc[nH+]c1 ZINC000085138541 384500440 /nfs/dbraw/zinc/50/04/40/384500440.db2.gz IDRFWSQNPVQUFF-SECBINFHSA-N 1 2 200.307 1.245 20 0 BDADLO CC(C)CONC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000136710836 384504668 /nfs/dbraw/zinc/50/46/68/384504668.db2.gz HZJNNDBOEODUSH-JTQLQIEISA-N 1 2 240.307 1.158 20 0 BDADLO COCc1cc(C(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000080221133 384536699 /nfs/dbraw/zinc/53/66/99/384536699.db2.gz BPTHRLPNPGNJNP-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000161654043 384512450 /nfs/dbraw/zinc/51/24/50/384512450.db2.gz AHRKPCNZNGSZLC-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO Cc1ccc(F)c(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000161654043 384512454 /nfs/dbraw/zinc/51/24/54/384512454.db2.gz AHRKPCNZNGSZLC-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO Cc1nc(N)c(CNC(=O)C2CCCC2)c[nH+]1 ZINC000556842027 384522178 /nfs/dbraw/zinc/52/21/78/384522178.db2.gz KVCZWPXLLBCVHQ-UHFFFAOYSA-N 1 2 234.303 1.004 20 0 BDADLO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc2nn[nH]c2c1 ZINC000150959907 384526770 /nfs/dbraw/zinc/52/67/70/384526770.db2.gz XIANMOHNCJHFGP-MRVPVSSYSA-N 1 2 245.286 1.039 20 0 BDADLO COC[C@H](NCc1[nH+]ccn1C)c1ccc(C)o1 ZINC000080237414 384537255 /nfs/dbraw/zinc/53/72/55/384537255.db2.gz PINZKOXXALJXDC-NSHDSACASA-N 1 2 249.314 1.799 20 0 BDADLO Cn1nccc1C[NH2+]C(C)(C)c1nccs1 ZINC000080203117 384538066 /nfs/dbraw/zinc/53/80/66/384538066.db2.gz DXHLXOKXIXLZMU-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO CC[C@H](C[NH2+][C@@](C)(C(=O)OC)C1CC1)OC ZINC000561234812 384583107 /nfs/dbraw/zinc/58/31/07/384583107.db2.gz DAQGVCZDJKYKSM-ZYHUDNBSSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cc(CNC(=O)c2cnco2)cc(C)[nH+]1 ZINC000643354326 384566664 /nfs/dbraw/zinc/56/66/64/384566664.db2.gz FNRQQEAOIIOOBC-UHFFFAOYSA-N 1 2 231.255 1.616 20 0 BDADLO CC(C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151361314 384567494 /nfs/dbraw/zinc/56/74/94/384567494.db2.gz BZNFFSUKEBQXDN-JTQLQIEISA-N 1 2 221.304 1.312 20 0 BDADLO C/C=C/C[C@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000184581912 384621324 /nfs/dbraw/zinc/62/13/24/384621324.db2.gz ULQMFHPHETZLNK-PGLGOXFNSA-N 1 2 249.314 1.839 20 0 BDADLO O=C(C[N@H+]1CC[C@H]1c1ccccc1F)NC1CC1 ZINC000363580982 384626684 /nfs/dbraw/zinc/62/66/84/384626684.db2.gz DEDXTANZVKUOOH-ZDUSSCGKSA-N 1 2 248.301 1.851 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1F)NC1CC1 ZINC000363580982 384626686 /nfs/dbraw/zinc/62/66/86/384626686.db2.gz DEDXTANZVKUOOH-ZDUSSCGKSA-N 1 2 248.301 1.851 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)C[C@H]1CCCO1 ZINC000517962703 384595613 /nfs/dbraw/zinc/59/56/13/384595613.db2.gz YYEIACALTYOCMO-CMPLNLGQSA-N 1 2 235.331 1.885 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)C(C)(C)C ZINC000331088432 384597017 /nfs/dbraw/zinc/59/70/17/384597017.db2.gz RYNULDVJIZTSLP-MRVPVSSYSA-N 1 2 209.293 1.708 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)C(C)(C)C ZINC000331088432 384597028 /nfs/dbraw/zinc/59/70/28/384597028.db2.gz RYNULDVJIZTSLP-MRVPVSSYSA-N 1 2 209.293 1.708 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000154256962 384598233 /nfs/dbraw/zinc/59/82/33/384598233.db2.gz GOKNREQMYDODNY-BOCAPUTCSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000154256962 384598238 /nfs/dbraw/zinc/59/82/38/384598238.db2.gz GOKNREQMYDODNY-BOCAPUTCSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@@H]1C ZINC000162678015 384665058 /nfs/dbraw/zinc/66/50/58/384665058.db2.gz UKWSVYLRKVZGEO-ZJUUUORDSA-N 1 2 245.330 1.846 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000647538230 384667219 /nfs/dbraw/zinc/66/72/19/384667219.db2.gz JMMBYUVDSQUNPJ-LBPRGKRZSA-N 1 2 233.315 1.105 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000647538230 384667223 /nfs/dbraw/zinc/66/72/23/384667223.db2.gz JMMBYUVDSQUNPJ-LBPRGKRZSA-N 1 2 233.315 1.105 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(C3CCC3)no2)C1 ZINC000643102458 384667368 /nfs/dbraw/zinc/66/73/68/384667368.db2.gz PJSQREAQUNCXCZ-SNVBAGLBSA-N 1 2 237.303 1.730 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(C3CCC3)no2)C1 ZINC000643102458 384667371 /nfs/dbraw/zinc/66/73/71/384667371.db2.gz PJSQREAQUNCXCZ-SNVBAGLBSA-N 1 2 237.303 1.730 20 0 BDADLO C[C@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC000172990727 384644839 /nfs/dbraw/zinc/64/48/39/384644839.db2.gz MAXWLNIZQNEZMJ-NSHDSACASA-N 1 2 237.299 1.042 20 0 BDADLO C[C@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000172990727 384644844 /nfs/dbraw/zinc/64/48/44/384644844.db2.gz MAXWLNIZQNEZMJ-NSHDSACASA-N 1 2 237.299 1.042 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1ccc(F)cc1F ZINC000051017462 384654579 /nfs/dbraw/zinc/65/45/79/384654579.db2.gz FOLWWSFKGYLSTO-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000258867050 384675770 /nfs/dbraw/zinc/67/57/70/384675770.db2.gz GJLPGCARZXHGFQ-UHFFFAOYSA-N 1 2 221.256 1.436 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000258867050 384675778 /nfs/dbraw/zinc/67/57/78/384675778.db2.gz GJLPGCARZXHGFQ-UHFFFAOYSA-N 1 2 221.256 1.436 20 0 BDADLO Cc1[nH]c(C(=O)NC2CCCCC2)c[nH+]1 ZINC000082268142 384657238 /nfs/dbraw/zinc/65/72/38/384657238.db2.gz BGRFCKZPGIYDSQ-UHFFFAOYSA-N 1 2 207.277 1.781 20 0 BDADLO O=C(CCc1ccsc1)NCCc1[nH]cc[nH+]1 ZINC000171755177 384657970 /nfs/dbraw/zinc/65/79/70/384657970.db2.gz MJQSLNHRCFEEDE-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1occc1C ZINC000124808279 384676788 /nfs/dbraw/zinc/67/67/88/384676788.db2.gz AIWVQOCLIGAJRK-SNVBAGLBSA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1occc1C ZINC000124808279 384676797 /nfs/dbraw/zinc/67/67/97/384676797.db2.gz AIWVQOCLIGAJRK-SNVBAGLBSA-N 1 2 223.272 1.725 20 0 BDADLO CS(=O)(=O)C[C@H]([NH2+]CCF)c1ccccc1 ZINC000309928629 384728245 /nfs/dbraw/zinc/72/82/45/384728245.db2.gz WUZTUARICIXIOX-NSHDSACASA-N 1 2 245.319 1.331 20 0 BDADLO c1c(CN2CCO[C@@H]3C[C@@H]32)[nH+]c2ccccn12 ZINC000368331854 384684729 /nfs/dbraw/zinc/68/47/29/384684729.db2.gz ONUMUEBCTGUACB-NWDGAFQWSA-N 1 2 229.283 1.307 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000363680335 384687112 /nfs/dbraw/zinc/68/71/12/384687112.db2.gz ZFUBAQILEAVPEW-IUCAKERBSA-N 1 2 239.344 1.544 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1c1nccs1 ZINC000363680335 384687122 /nfs/dbraw/zinc/68/71/22/384687122.db2.gz ZFUBAQILEAVPEW-IUCAKERBSA-N 1 2 239.344 1.544 20 0 BDADLO Cc1nc(N[C@@H]2CC[S@](=O)C2)c(F)c(C)[nH+]1 ZINC000309886343 384690622 /nfs/dbraw/zinc/69/06/22/384690622.db2.gz YMQCMAYRAYVEAL-BCTVWOGZSA-N 1 2 243.307 1.165 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000051821717 384695120 /nfs/dbraw/zinc/69/51/20/384695120.db2.gz TZRMWLQPSXXKMA-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000051821717 384695127 /nfs/dbraw/zinc/69/51/27/384695127.db2.gz TZRMWLQPSXXKMA-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000071796501 384704352 /nfs/dbraw/zinc/70/43/52/384704352.db2.gz QEIJYAPDPKVZIS-JTQLQIEISA-N 1 2 245.286 1.084 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000071796501 384704362 /nfs/dbraw/zinc/70/43/62/384704362.db2.gz QEIJYAPDPKVZIS-JTQLQIEISA-N 1 2 245.286 1.084 20 0 BDADLO COc1ccncc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492956698 533084609 /nfs/dbraw/zinc/08/46/09/533084609.db2.gz SPNXCMIWGAKVKO-IHWYPQMZSA-N 1 2 244.254 1.465 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125438591 384720358 /nfs/dbraw/zinc/72/03/58/384720358.db2.gz DCHLFJVEFVWAHN-LLVKDONJSA-N 1 2 220.272 1.392 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125438591 384720363 /nfs/dbraw/zinc/72/03/63/384720363.db2.gz DCHLFJVEFVWAHN-LLVKDONJSA-N 1 2 220.272 1.392 20 0 BDADLO COc1ncc(C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000643885027 384728958 /nfs/dbraw/zinc/72/89/58/384728958.db2.gz HPUNMGTWWNKETA-IUCAKERBSA-N 1 2 242.344 1.761 20 0 BDADLO COCCOC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000309946277 384731908 /nfs/dbraw/zinc/73/19/08/384731908.db2.gz DMPDHXRYZNQYBW-SECBINFHSA-N 1 2 225.292 1.248 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)c1cccc(F)c1 ZINC000087114602 384739365 /nfs/dbraw/zinc/73/93/65/384739365.db2.gz MWQGGVUEPMLNQD-INIZCTEOSA-N 1 2 238.287 1.867 20 0 BDADLO CC[C@@H](CNc1nc[nH+]c(N)c1Cl)OC ZINC000290600364 384760634 /nfs/dbraw/zinc/76/06/34/384760634.db2.gz DUGVJFQFNJLXDR-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO CC[C@@H](CNc1[nH+]cnc(N)c1Cl)OC ZINC000290600364 384760640 /nfs/dbraw/zinc/76/06/40/384760640.db2.gz DUGVJFQFNJLXDR-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)CCC(C)C ZINC000309984100 384765131 /nfs/dbraw/zinc/76/51/31/384765131.db2.gz XNSCUZZQHGQGPL-JTQLQIEISA-N 1 2 231.336 1.325 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC1CC1 ZINC000360211093 384768538 /nfs/dbraw/zinc/76/85/38/384768538.db2.gz AVXPEXAATDFUOV-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CSC[C@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000363769867 384815993 /nfs/dbraw/zinc/81/59/93/384815993.db2.gz RXEVBXQPAUJSIS-LLVKDONJSA-N 1 2 249.339 1.669 20 0 BDADLO Cc1nc(N2CCN(C(=O)C(C)C)CC2)cc[nH+]1 ZINC000174672039 384825971 /nfs/dbraw/zinc/82/59/71/384825971.db2.gz GVUOKPRSXNLVAP-UHFFFAOYSA-N 1 2 248.330 1.090 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc(C(C)(C)C)o1 ZINC000185889240 384781307 /nfs/dbraw/zinc/78/13/07/384781307.db2.gz OIDRHRCBBZZRBN-UHFFFAOYSA-N 1 2 235.291 1.713 20 0 BDADLO CC[C@@H](COC)Nc1[nH+]cnc2c1cnn2C ZINC000083755684 384796066 /nfs/dbraw/zinc/79/60/66/384796066.db2.gz PUCJZNHBJVTPRZ-QMMMGPOBSA-N 1 2 235.291 1.200 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1nncn1C ZINC000126658729 384796233 /nfs/dbraw/zinc/79/62/33/384796233.db2.gz LZUCZAYPPHREJX-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)OC ZINC000336668864 384799290 /nfs/dbraw/zinc/79/92/90/384799290.db2.gz SUKUKQLWOMHIDV-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000310038205 384807554 /nfs/dbraw/zinc/80/75/54/384807554.db2.gz VWGDXRNMAXGASH-PWSUYJOCSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC12CC2 ZINC000335522450 384886000 /nfs/dbraw/zinc/88/60/00/384886000.db2.gz FEEUWOJXFYMILC-SECBINFHSA-N 1 2 202.257 1.551 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCn2cnnc2C1 ZINC000105880867 384886593 /nfs/dbraw/zinc/88/65/93/384886593.db2.gz KLGRJAGICKKOJT-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+](C)C[C@@H](C)O)cs1 ZINC000175264391 384887036 /nfs/dbraw/zinc/88/70/36/384887036.db2.gz BKMHGUPHZDSXEQ-RKDXNWHRSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+](C)C[C@@H](C)O)cs1 ZINC000175264391 384887041 /nfs/dbraw/zinc/88/70/41/384887041.db2.gz BKMHGUPHZDSXEQ-RKDXNWHRSA-N 1 2 244.360 1.663 20 0 BDADLO CCCc1nc(C[N@H+](CCO)[C@H](C)CC)no1 ZINC000310165652 384866926 /nfs/dbraw/zinc/86/69/26/384866926.db2.gz JUHQGIZQFOVGSZ-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCc1nc(C[N@@H+](CCO)[C@H](C)CC)no1 ZINC000310165652 384866933 /nfs/dbraw/zinc/86/69/33/384866933.db2.gz JUHQGIZQFOVGSZ-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)NC(C)C ZINC000055052382 384867235 /nfs/dbraw/zinc/86/72/35/384867235.db2.gz YNCIPXAVSJZOJP-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)NC(C)C ZINC000055052382 384867244 /nfs/dbraw/zinc/86/72/44/384867244.db2.gz YNCIPXAVSJZOJP-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO CO[C@H](C)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000364073324 384951760 /nfs/dbraw/zinc/95/17/60/384951760.db2.gz PFOQBLKUADZESO-SNVBAGLBSA-N 1 2 232.287 1.136 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@H](C)O)cc2[nH+]1 ZINC000258957030 384954335 /nfs/dbraw/zinc/95/43/35/384954335.db2.gz XLOAMSNHFFISKX-LURJTMIESA-N 1 2 219.244 1.191 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(F)ccc1=O ZINC000336176891 384955087 /nfs/dbraw/zinc/95/50/87/384955087.db2.gz WSBBEDWPOSOOJU-UHFFFAOYSA-N 1 2 234.230 1.439 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000187534422 384955705 /nfs/dbraw/zinc/95/57/05/384955705.db2.gz PPCVEWNOVMYINJ-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO c1coc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000187534422 384955710 /nfs/dbraw/zinc/95/57/10/384955710.db2.gz PPCVEWNOVMYINJ-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO C[C@]1(F)CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000336267402 384903639 /nfs/dbraw/zinc/90/36/39/384903639.db2.gz ONWKUFGTJJFZJI-ZDUSSCGKSA-N 1 2 242.338 1.823 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000336267402 384903647 /nfs/dbraw/zinc/90/36/47/384903647.db2.gz ONWKUFGTJJFZJI-ZDUSSCGKSA-N 1 2 242.338 1.823 20 0 BDADLO CC(C)[C@@H]([NH2+]CCF)c1nncn1C ZINC000308669059 384911223 /nfs/dbraw/zinc/91/12/23/384911223.db2.gz UPDPPTMTOYVSRR-MRVPVSSYSA-N 1 2 200.261 1.071 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000115741406 384959056 /nfs/dbraw/zinc/95/90/56/384959056.db2.gz BYKLJBYBDISFGY-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000115741406 384959061 /nfs/dbraw/zinc/95/90/61/384959061.db2.gz BYKLJBYBDISFGY-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCC[C@](C)(CO)[NH2+]Cc1ccn[nH]1 ZINC000647239769 384916401 /nfs/dbraw/zinc/91/64/01/384916401.db2.gz MYAZBSJAARWPAI-LLVKDONJSA-N 1 2 211.309 1.441 20 0 BDADLO CC[C@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000244255542 384923057 /nfs/dbraw/zinc/92/30/57/384923057.db2.gz WJNVIZOGSUHCMI-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CC[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000244255542 384923070 /nfs/dbraw/zinc/92/30/70/384923070.db2.gz WJNVIZOGSUHCMI-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO Cc1ccc(NCc2cnnn2C)c[nH+]1 ZINC000128049922 384925597 /nfs/dbraw/zinc/92/55/97/384925597.db2.gz CLEVKEXPGOWVMM-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO O=S1(=O)CCC(CNc2cccc[nH+]2)CC1 ZINC000301872686 384936035 /nfs/dbraw/zinc/93/60/35/384936035.db2.gz XFZDEXDGUQLIJO-UHFFFAOYSA-N 1 2 240.328 1.318 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC(C(F)(F)F)C1 ZINC000647612992 384947355 /nfs/dbraw/zinc/94/73/55/384947355.db2.gz KCACTXIYQPCYPS-UHFFFAOYSA-N 1 2 247.220 1.294 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCOC1 ZINC000107290282 384960596 /nfs/dbraw/zinc/96/05/96/384960596.db2.gz JOFCASNPEUHKOR-JTQLQIEISA-N 1 2 220.272 1.755 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cccc(C)c1 ZINC000258866825 384947947 /nfs/dbraw/zinc/94/79/47/384947947.db2.gz GGNGZHGFCJOBTM-UHFFFAOYSA-N 1 2 221.300 1.642 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cccc(C)c1 ZINC000258866825 384947953 /nfs/dbraw/zinc/94/79/53/384947953.db2.gz GGNGZHGFCJOBTM-UHFFFAOYSA-N 1 2 221.300 1.642 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000371099117 384967286 /nfs/dbraw/zinc/96/72/86/384967286.db2.gz JVQAERNMTCSIPE-NSHDSACASA-N 1 2 229.320 1.298 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000371099117 384967297 /nfs/dbraw/zinc/96/72/97/384967297.db2.gz JVQAERNMTCSIPE-NSHDSACASA-N 1 2 229.320 1.298 20 0 BDADLO CC(C)c1nc(N[C@@H](C)C[S@@](C)=O)cc[nH+]1 ZINC000302158723 384975380 /nfs/dbraw/zinc/97/53/80/384975380.db2.gz NMRKLAZEYRZJGI-XXFAHNHDSA-N 1 2 241.360 1.779 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1CC(F)(F)C1 ZINC000293569831 384993404 /nfs/dbraw/zinc/99/34/04/384993404.db2.gz FAZWHGMSWXSWEI-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1CC(F)(F)C1 ZINC000293569831 384993411 /nfs/dbraw/zinc/99/34/11/384993411.db2.gz FAZWHGMSWXSWEI-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO CSC[C@@H](O)C[N@H+](C)Cc1nccs1 ZINC000187913858 384994566 /nfs/dbraw/zinc/99/45/66/384994566.db2.gz XAGVYTICFVSSAL-QMMMGPOBSA-N 1 2 232.374 1.299 20 0 BDADLO CSC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC000187913858 384994578 /nfs/dbraw/zinc/99/45/78/384994578.db2.gz XAGVYTICFVSSAL-QMMMGPOBSA-N 1 2 232.374 1.299 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000336305212 385001348 /nfs/dbraw/zinc/00/13/48/385001348.db2.gz BAMPOBZIKBCVSC-ZUZCIYMTSA-N 1 2 235.368 1.968 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000336305212 385001352 /nfs/dbraw/zinc/00/13/52/385001352.db2.gz BAMPOBZIKBCVSC-ZUZCIYMTSA-N 1 2 235.368 1.968 20 0 BDADLO CC(C)c1nc(NCCCCO)cc[nH+]1 ZINC000302858635 385008492 /nfs/dbraw/zinc/00/84/92/385008492.db2.gz NOTYKSPPEXJVOG-UHFFFAOYSA-N 1 2 209.293 1.784 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)c1cccs1 ZINC000164319985 384964146 /nfs/dbraw/zinc/96/41/46/384964146.db2.gz YKCLMSXOAZQMPS-LLVKDONJSA-N 1 2 237.328 1.469 20 0 BDADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1nccs1 ZINC000647464157 385048881 /nfs/dbraw/zinc/04/88/81/385048881.db2.gz RZNSFDNQYURMSZ-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1nccs1 ZINC000647464157 385048890 /nfs/dbraw/zinc/04/88/90/385048890.db2.gz RZNSFDNQYURMSZ-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC(C)(C)C ZINC000130815125 385060338 /nfs/dbraw/zinc/06/03/38/385060338.db2.gz XPOZPANOGJPWGR-UHFFFAOYSA-N 1 2 210.281 1.018 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CC[C@H](C)O2)no1 ZINC000188539280 385064040 /nfs/dbraw/zinc/06/40/40/385064040.db2.gz RJLNHENAKBFHOT-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CC[C@H](C)O2)no1 ZINC000188539280 385064047 /nfs/dbraw/zinc/06/40/47/385064047.db2.gz RJLNHENAKBFHOT-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)[nH]1 ZINC000644658612 385067712 /nfs/dbraw/zinc/06/77/12/385067712.db2.gz DYHRVNJOKGHRBI-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)[nH]1 ZINC000644658612 385067718 /nfs/dbraw/zinc/06/77/18/385067718.db2.gz DYHRVNJOKGHRBI-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000087049739 385071014 /nfs/dbraw/zinc/07/10/14/385071014.db2.gz ZHWFPCFVHMEHKJ-SECBINFHSA-N 1 2 238.312 1.302 20 0 BDADLO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000647243083 385029294 /nfs/dbraw/zinc/02/92/94/385029294.db2.gz CXXXSCVBURGBET-GXSJLCMTSA-N 1 2 211.309 1.296 20 0 BDADLO Cc1ccc(NC(=O)c2cnn(C)c2)c(C)[nH+]1 ZINC000176197700 385037343 /nfs/dbraw/zinc/03/73/43/385037343.db2.gz OIZXVZOCXBIJEX-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CC1=CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000557748501 385108334 /nfs/dbraw/zinc/10/83/34/385108334.db2.gz SVKHZWSMMFMBJX-UHFFFAOYSA-N 1 2 219.288 1.141 20 0 BDADLO C[C@H]1CC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000557752894 385113125 /nfs/dbraw/zinc/11/31/25/385113125.db2.gz LWTUEUFZCXAAQO-WCBMZHEXSA-N 1 2 228.299 1.675 20 0 BDADLO CN(C[C@H]1CC=CCC1)C(=O)Cc1c[nH+]cn1C ZINC000557765215 385115962 /nfs/dbraw/zinc/11/59/62/385115962.db2.gz OXIBIVWBGYGKTA-LBPRGKRZSA-N 1 2 247.342 1.777 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CC[C@H](O)C2)c1Cl ZINC000236392621 385117647 /nfs/dbraw/zinc/11/76/47/385117647.db2.gz DHXMRFVPIPQUPC-BQBZGAKWSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CC[C@H](O)C2)c1Cl ZINC000236392621 385117650 /nfs/dbraw/zinc/11/76/50/385117650.db2.gz DHXMRFVPIPQUPC-BQBZGAKWSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1ccc(NC(=O)COCC(F)(F)F)c[nH+]1 ZINC000151615425 385121986 /nfs/dbraw/zinc/12/19/86/385121986.db2.gz ZYWADWPKMODHSV-UHFFFAOYSA-N 1 2 249.192 1.181 20 0 BDADLO C[N@H+](CC(=O)NC1CC1)Cc1ccsc1 ZINC000061800412 385139736 /nfs/dbraw/zinc/13/97/36/385139736.db2.gz GTJGOEGFOARNSI-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccsc1 ZINC000061800412 385139739 /nfs/dbraw/zinc/13/97/39/385139739.db2.gz GTJGOEGFOARNSI-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@H](O)C1 ZINC000286969055 385085541 /nfs/dbraw/zinc/08/55/41/385085541.db2.gz BDMNDWAMYJDZJQ-NSHDSACASA-N 1 2 249.314 1.687 20 0 BDADLO CCC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000087317852 385094188 /nfs/dbraw/zinc/09/41/88/385094188.db2.gz PRFAFVYNXYRFQG-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2c(C)noc2C)[nH]1 ZINC000644681844 385096495 /nfs/dbraw/zinc/09/64/95/385096495.db2.gz GNGOIGKEELWXDK-LURJTMIESA-N 1 2 235.291 1.569 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H](C)c2cnn(C)c2)nn1 ZINC000310844321 385188407 /nfs/dbraw/zinc/18/84/07/385188407.db2.gz BWFFJAJGXVSNPO-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CCC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000308821473 385190934 /nfs/dbraw/zinc/19/09/34/385190934.db2.gz QTHHFRXDSKQPBV-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000109832679 385193333 /nfs/dbraw/zinc/19/33/33/385193333.db2.gz IBLAGPRSNFDGJP-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000109832679 385193337 /nfs/dbraw/zinc/19/33/37/385193337.db2.gz IBLAGPRSNFDGJP-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000518755755 385145707 /nfs/dbraw/zinc/14/57/07/385145707.db2.gz QZTTUCHIVJXYSH-VIFPVBQESA-N 1 2 227.333 1.257 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000177996931 385150309 /nfs/dbraw/zinc/15/03/09/385150309.db2.gz WKYPQRUXGTVKRD-GFCCVEGCSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000177996931 385150315 /nfs/dbraw/zinc/15/03/15/385150315.db2.gz WKYPQRUXGTVKRD-GFCCVEGCSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1ccc(NC(=O)N[C@H](C)CO)c(C)[nH+]1 ZINC000152191997 385162660 /nfs/dbraw/zinc/16/26/60/385162660.db2.gz MTDMRNSCWOPEBJ-MRVPVSSYSA-N 1 2 223.276 1.201 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000644783749 385164779 /nfs/dbraw/zinc/16/47/79/385164779.db2.gz OZPHKZJEUGVZLM-RYUDHWBXSA-N 1 2 247.342 1.895 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000129582152 385166104 /nfs/dbraw/zinc/16/61/04/385166104.db2.gz VXKYUZRKRPYAEM-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000129582152 385166114 /nfs/dbraw/zinc/16/61/14/385166114.db2.gz VXKYUZRKRPYAEM-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCOC2)no1 ZINC000107696137 385207046 /nfs/dbraw/zinc/20/70/46/385207046.db2.gz VEHNHOCZXJZDIY-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCOC2)no1 ZINC000107696137 385207048 /nfs/dbraw/zinc/20/70/48/385207048.db2.gz VEHNHOCZXJZDIY-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000177293636 385214724 /nfs/dbraw/zinc/21/47/24/385214724.db2.gz JPUJMHKAVGNAIT-RYUDHWBXSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H]1C[N@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000177293636 385214731 /nfs/dbraw/zinc/21/47/31/385214731.db2.gz JPUJMHKAVGNAIT-RYUDHWBXSA-N 1 2 236.315 1.490 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000166103361 385223439 /nfs/dbraw/zinc/22/34/39/385223439.db2.gz BPHIJNWSBUNPMF-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000166103361 385223444 /nfs/dbraw/zinc/22/34/44/385223444.db2.gz BPHIJNWSBUNPMF-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1COCC1(C)C ZINC000313035830 385226619 /nfs/dbraw/zinc/22/66/19/385226619.db2.gz WYZPTXAEEUPSSV-SECBINFHSA-N 1 2 247.302 1.200 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C)CCCC1 ZINC000292122917 385228888 /nfs/dbraw/zinc/22/88/88/385228888.db2.gz XBNPMHTZIRICEL-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CO[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110530624 385246204 /nfs/dbraw/zinc/24/62/04/385246204.db2.gz DRSLOQQXNUZFCV-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO CCc1nc(CNc2[nH]c3ccccc3[nH+]2)n[nH]1 ZINC000294837885 385247564 /nfs/dbraw/zinc/24/75/64/385247564.db2.gz AWZOOWOYJZVNLO-UHFFFAOYSA-N 1 2 242.286 1.856 20 0 BDADLO OCc1cc[nH+]c(N2CCCC(F)(F)C2)c1 ZINC000405061366 385250040 /nfs/dbraw/zinc/25/00/40/385250040.db2.gz OLYWGAHEVWECRK-UHFFFAOYSA-N 1 2 228.242 1.809 20 0 BDADLO CCC1(CNC(=O)NCc2c[nH+]cn2C)CC1 ZINC000290770001 385251751 /nfs/dbraw/zinc/25/17/51/385251751.db2.gz QWHPWKHMHXHOMN-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000157939901 385316186 /nfs/dbraw/zinc/31/61/86/385316186.db2.gz VXBBZTYRMLPJRH-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000157939901 385316192 /nfs/dbraw/zinc/31/61/92/385316192.db2.gz VXBBZTYRMLPJRH-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(Cl)ccc1F ZINC000191709315 385317732 /nfs/dbraw/zinc/31/77/32/385317732.db2.gz JTGVUHLMQHNBGW-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1F ZINC000191709315 385317738 /nfs/dbraw/zinc/31/77/38/385317738.db2.gz JTGVUHLMQHNBGW-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C)(O)CC2)s1 ZINC000358507003 385259330 /nfs/dbraw/zinc/25/93/30/385259330.db2.gz KGLDKNZCRMDYNY-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO COC[C@H]([NH2+]Cc1cncn1C)c1ccc(C)o1 ZINC000177567934 385260239 /nfs/dbraw/zinc/26/02/39/385260239.db2.gz LMGVNSPNJBBBMI-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO O=C(CCn1cccc1)N1CCn2c[nH+]cc2C1 ZINC000642898327 385269745 /nfs/dbraw/zinc/26/97/45/385269745.db2.gz NSTJMXNFCGZUKF-UHFFFAOYSA-N 1 2 244.298 1.117 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CSC[C@@H]1C)C1CC1 ZINC000308904560 385277304 /nfs/dbraw/zinc/27/73/04/385277304.db2.gz CDYXTTZWTVURFY-UJNFCWOMSA-N 1 2 229.345 1.279 20 0 BDADLO C[C@@H](CNC(=O)c1cccn1C)Cn1cc[nH+]c1 ZINC000153734515 385278073 /nfs/dbraw/zinc/27/80/73/385278073.db2.gz KNJAQJKSEREXOE-NSHDSACASA-N 1 2 246.314 1.288 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H](C3CC3)C2)c1 ZINC000400121050 385293083 /nfs/dbraw/zinc/29/30/83/385293083.db2.gz MVHSSBKMFKRPJR-LBPRGKRZSA-N 1 2 218.300 1.810 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2cocn2)cc1 ZINC000191975423 385336647 /nfs/dbraw/zinc/33/66/47/385336647.db2.gz PRBZZNCFDRSNKW-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2cocn2)cc1 ZINC000191975423 385336649 /nfs/dbraw/zinc/33/66/49/385336649.db2.gz PRBZZNCFDRSNKW-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO COC(=O)C[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000178854886 385336825 /nfs/dbraw/zinc/33/68/25/385336825.db2.gz CXUVJAHKOYURMW-SNVBAGLBSA-N 1 2 235.287 1.317 20 0 BDADLO FCC[NH2+]Cc1nccn1CC(F)(F)F ZINC000280583544 385339247 /nfs/dbraw/zinc/33/92/47/385339247.db2.gz AJYVDEVGRYAZGU-UHFFFAOYSA-N 1 2 225.189 1.505 20 0 BDADLO CCCC[N@H+](CCOC)Cc1noc(C)n1 ZINC000109334193 385341717 /nfs/dbraw/zinc/34/17/17/385341717.db2.gz GLWQJXCGJQWJKL-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1noc(C)n1 ZINC000109334193 385341719 /nfs/dbraw/zinc/34/17/19/385341719.db2.gz GLWQJXCGJQWJKL-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO Cc1ccc(NC(=O)NC2(CO)CCC2)c(C)[nH+]1 ZINC000178186395 385344199 /nfs/dbraw/zinc/34/41/99/385344199.db2.gz JQFCEHDZILLNMW-UHFFFAOYSA-N 1 2 249.314 1.735 20 0 BDADLO c1nc(N2CCCC2)cc(NC2CCOCC2)[nH+]1 ZINC000192283140 385349981 /nfs/dbraw/zinc/34/99/81/385349981.db2.gz VADHNRGWWWYKDK-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(NC2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000192283140 385349984 /nfs/dbraw/zinc/34/99/84/385349984.db2.gz VADHNRGWWWYKDK-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO CON(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000192378824 385355154 /nfs/dbraw/zinc/35/51/54/385355154.db2.gz BLLZFDFZZUUTMA-UHFFFAOYSA-N 1 2 248.286 1.346 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1CCC1 ZINC000154784796 385355227 /nfs/dbraw/zinc/35/52/27/385355227.db2.gz UBQXFDVNMWLSHY-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114340035 385361585 /nfs/dbraw/zinc/36/15/85/385361585.db2.gz BEDPCCVXEPKYOH-SSDOTTSWSA-N 1 2 213.306 1.025 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCc1nccs1 ZINC000051189571 385364074 /nfs/dbraw/zinc/36/40/74/385364074.db2.gz IIRPJRBJWNMCGP-UHFFFAOYSA-N 1 2 222.317 1.507 20 0 BDADLO FCCNc1cc(NCCF)[nH+]cn1 ZINC000280774441 385370782 /nfs/dbraw/zinc/37/07/82/385370782.db2.gz OUXPXMVMJFNGQX-UHFFFAOYSA-N 1 2 202.208 1.239 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000179337395 385375191 /nfs/dbraw/zinc/37/51/91/385375191.db2.gz PECRWVSHLTVWFO-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO CC[C@H]([NH2+]CCCc1ccccn1)C(=O)OC ZINC000192859426 385375427 /nfs/dbraw/zinc/37/54/27/385375427.db2.gz JJPLCRYYEUBXSQ-LBPRGKRZSA-N 1 2 236.315 1.555 20 0 BDADLO CCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155145896 385377146 /nfs/dbraw/zinc/37/71/46/385377146.db2.gz JPFJMJUMLHQTIN-UHFFFAOYSA-N 1 2 235.287 1.115 20 0 BDADLO CC[N@H+](CCc1ccccc1)Cc1nnn(C)n1 ZINC000192969386 385379786 /nfs/dbraw/zinc/37/97/86/385379786.db2.gz HOJSWMACFDHCPF-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO CC[N@@H+](CCc1ccccc1)Cc1nnn(C)n1 ZINC000192969386 385379791 /nfs/dbraw/zinc/37/97/91/385379791.db2.gz HOJSWMACFDHCPF-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO CC[C@H](NCc1[nH+]ccn1C)C(F)(F)F ZINC000309050545 385384171 /nfs/dbraw/zinc/38/41/71/385384171.db2.gz QUHNVSRNNIKDIM-ZETCQYMHSA-N 1 2 221.226 1.851 20 0 BDADLO COC(=O)[C@H](C)SCCCn1cc[nH+]c1 ZINC000154451982 385328259 /nfs/dbraw/zinc/32/82/59/385328259.db2.gz FWKDIYLWQLFBPZ-VIFPVBQESA-N 1 2 228.317 1.568 20 0 BDADLO CC(C)(C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000178609648 385397823 /nfs/dbraw/zinc/39/78/23/385397823.db2.gz MTWNBKVOHCZTNU-UHFFFAOYSA-N 1 2 246.318 1.703 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1)c1ccon1 ZINC000309110960 385425824 /nfs/dbraw/zinc/42/58/24/385425824.db2.gz JQJBNBWBXFKQBU-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000364396229 385410931 /nfs/dbraw/zinc/41/09/31/385410931.db2.gz CJAWOJOHCXJBRW-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)c1nnc(NCc2c[nH+]cn2C)o1 ZINC000181620621 385411700 /nfs/dbraw/zinc/41/17/00/385411700.db2.gz RNONLFVCQVJISF-UHFFFAOYSA-N 1 2 221.264 1.539 20 0 BDADLO Nc1cc(CSc2ncccn2)cc[nH+]1 ZINC000052756199 385456653 /nfs/dbraw/zinc/45/66/53/385456653.db2.gz PFWXKAWKKQWISJ-UHFFFAOYSA-N 1 2 218.285 1.746 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000194432866 385435947 /nfs/dbraw/zinc/43/59/47/385435947.db2.gz UESZGHNALHNKGJ-GFCCVEGCSA-N 1 2 243.314 1.200 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000194432866 385435950 /nfs/dbraw/zinc/43/59/50/385435950.db2.gz UESZGHNALHNKGJ-GFCCVEGCSA-N 1 2 243.314 1.200 20 0 BDADLO CO[C@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171065956 385465900 /nfs/dbraw/zinc/46/59/00/385465900.db2.gz ZOZDYUPJXPQOEL-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO COCC[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171170555 385470907 /nfs/dbraw/zinc/47/09/07/385470907.db2.gz NBRGXUAMTKMOPV-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCc3cc(F)ccc32)n1 ZINC000179594014 385476530 /nfs/dbraw/zinc/47/65/30/385476530.db2.gz BRCMSDOQAFUNLY-LBPRGKRZSA-N 1 2 246.289 1.731 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000364642064 385483806 /nfs/dbraw/zinc/48/38/06/385483806.db2.gz ZNABMSCAHGVUSN-MWLCHTKSSA-N 1 2 236.271 1.120 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000364642064 385483810 /nfs/dbraw/zinc/48/38/10/385483810.db2.gz ZNABMSCAHGVUSN-MWLCHTKSSA-N 1 2 236.271 1.120 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2cccc(O)c2)nn1 ZINC000289813742 385487373 /nfs/dbraw/zinc/48/73/73/385487373.db2.gz SGEPFFLATMIYRU-UHFFFAOYSA-N 1 2 246.314 1.854 20 0 BDADLO CN(CC[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891909 385459015 /nfs/dbraw/zinc/45/90/15/385459015.db2.gz DGQHSGOYYHQBNW-ITKZLYELSA-N 1 2 249.314 1.450 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCOC1 ZINC000179863214 385495648 /nfs/dbraw/zinc/49/56/48/385495648.db2.gz YQRYDMACRYUALA-SNVBAGLBSA-N 1 2 235.287 1.691 20 0 BDADLO Cc1nc(CN(C)Cc2[nH]cc[nH+]2)cs1 ZINC000111207829 385497067 /nfs/dbraw/zinc/49/70/67/385497067.db2.gz NDOKCLAOIIIAHK-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CN(CC[N@H+](C)Cc1ncc[nH]1)c1ccccc1 ZINC000111232116 385497198 /nfs/dbraw/zinc/49/71/98/385497198.db2.gz OWEDCQXQVRORLW-UHFFFAOYSA-N 1 2 244.342 1.978 20 0 BDADLO CN(CC[N@@H+](C)Cc1ncc[nH]1)c1ccccc1 ZINC000111232116 385497201 /nfs/dbraw/zinc/49/72/01/385497201.db2.gz OWEDCQXQVRORLW-UHFFFAOYSA-N 1 2 244.342 1.978 20 0 BDADLO O=S1CC[NH+](CCc2ccccc2)CC1 ZINC000111222823 385497235 /nfs/dbraw/zinc/49/72/35/385497235.db2.gz HUGCLIUCXYMCCI-UHFFFAOYSA-N 1 2 223.341 1.293 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cccc(N)n1 ZINC000111044394 385499596 /nfs/dbraw/zinc/49/95/96/385499596.db2.gz JRCUFTWMZKUKAH-UHFFFAOYSA-N 1 2 228.255 1.620 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H](C)O1 ZINC000111274629 385500437 /nfs/dbraw/zinc/50/04/37/385500437.db2.gz HBRGBSMMBQVOEJ-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H](C)O1 ZINC000111274629 385500439 /nfs/dbraw/zinc/50/04/39/385500439.db2.gz HBRGBSMMBQVOEJ-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2CC)CCO1 ZINC000179930136 385500826 /nfs/dbraw/zinc/50/08/26/385500826.db2.gz WDFAGIUYSARPCG-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2CC)CCO1 ZINC000179930136 385500829 /nfs/dbraw/zinc/50/08/29/385500829.db2.gz WDFAGIUYSARPCG-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1cc(C[N@@H+]2CCS[C@H](C)C2)no1 ZINC000171698592 385508756 /nfs/dbraw/zinc/50/87/56/385508756.db2.gz FDORNVNNQTUTOA-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cc(C[N@H+]2CCS[C@H](C)C2)no1 ZINC000171698592 385508759 /nfs/dbraw/zinc/50/87/59/385508759.db2.gz FDORNVNNQTUTOA-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cnc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000109890440 385490389 /nfs/dbraw/zinc/49/03/89/385490389.db2.gz QIKCOZFMJQBLCA-UHFFFAOYSA-N 1 2 230.227 1.138 20 0 BDADLO Cn1nccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000180586325 385530529 /nfs/dbraw/zinc/53/05/29/385530529.db2.gz PTXOZPNWXYIXAQ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1nccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180586325 385530532 /nfs/dbraw/zinc/53/05/32/385530532.db2.gz PTXOZPNWXYIXAQ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N1Cc2ccccc2C1 ZINC000180626224 385533892 /nfs/dbraw/zinc/53/38/92/385533892.db2.gz DNQIRZBUMCODFT-CYBMUJFWSA-N 1 2 246.354 1.723 20 0 BDADLO COC(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000082254828 385547121 /nfs/dbraw/zinc/54/71/21/385547121.db2.gz BEQNWGDVJQGTMN-LLVKDONJSA-N 1 2 249.314 1.527 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccon1 ZINC000180491079 385525133 /nfs/dbraw/zinc/52/51/33/385525133.db2.gz RFSMNIXYILFUNA-UHFFFAOYSA-N 1 2 249.274 1.425 20 0 BDADLO CC1(C)CC(CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493120818 385525670 /nfs/dbraw/zinc/52/56/70/385525670.db2.gz RCZWIYQLNLUQSC-ONEGZZNKSA-N 1 2 233.315 1.975 20 0 BDADLO CC1(C2(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000493194233 385554028 /nfs/dbraw/zinc/55/40/28/385554028.db2.gz UFIUNUYSVRMIEE-NSCUHMNNSA-N 1 2 231.299 1.872 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)COC(C)C)n1 ZINC000309395568 385561794 /nfs/dbraw/zinc/56/17/94/385561794.db2.gz VEHZWNNQNPGWDV-DTWKUNHWSA-N 1 2 227.308 1.842 20 0 BDADLO CCCC(=O)NCC(=O)Nc1cc[nH+]cc1C ZINC000107287949 385562729 /nfs/dbraw/zinc/56/27/29/385562729.db2.gz KHDKIMOHOVZSBO-UHFFFAOYSA-N 1 2 235.287 1.245 20 0 BDADLO CCC[C@@H]([NH2+]CCC(C)(C)O)C(=O)OCC ZINC000336675789 385600698 /nfs/dbraw/zinc/60/06/98/385600698.db2.gz VJGOTAPXTSCOGR-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC=CO1 ZINC000280752709 385600826 /nfs/dbraw/zinc/60/08/26/385600826.db2.gz DVSSGAXVCUHXKI-NXEZZACHSA-N 1 2 213.277 1.172 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000280752709 385600829 /nfs/dbraw/zinc/60/08/29/385600829.db2.gz DVSSGAXVCUHXKI-NXEZZACHSA-N 1 2 213.277 1.172 20 0 BDADLO O=C(COCC1CC1)Nc1ccn2cc[nH+]c2c1 ZINC000280766387 385601609 /nfs/dbraw/zinc/60/16/09/385601609.db2.gz MLWOUQQGVPUWBC-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO CC(C)n1ccc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000280769982 385602097 /nfs/dbraw/zinc/60/20/97/385602097.db2.gz OFYVLQYGOJJGIY-UHFFFAOYSA-N 1 2 248.290 1.509 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](O)C(C)C)CCCC1 ZINC000309433033 385580306 /nfs/dbraw/zinc/58/03/06/385580306.db2.gz GPYHOVXOJHTWRZ-JTQLQIEISA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC1(C)C ZINC000337357862 385616315 /nfs/dbraw/zinc/61/63/15/385616315.db2.gz BJOCKINPTFAUSH-ZJUUUORDSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1occc1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000280937714 385620787 /nfs/dbraw/zinc/62/07/87/385620787.db2.gz LADPKWLDTRGZRD-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(CCO)CCCC1 ZINC000493840722 385629066 /nfs/dbraw/zinc/62/90/66/385629066.db2.gz WEPKTDGNMJPKCU-ONEGZZNKSA-N 1 2 249.314 1.234 20 0 BDADLO Cc1ccoc1CNc1nc[nH+]c(N)c1Cl ZINC000336651676 385632036 /nfs/dbraw/zinc/63/20/36/385632036.db2.gz HZOBGVNJPXUJBH-UHFFFAOYSA-N 1 2 238.678 1.648 20 0 BDADLO Cc1ccoc1CNc1[nH+]cnc(N)c1Cl ZINC000336651676 385632042 /nfs/dbraw/zinc/63/20/42/385632042.db2.gz HZOBGVNJPXUJBH-UHFFFAOYSA-N 1 2 238.678 1.648 20 0 BDADLO CC(C)COCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000337444000 385664937 /nfs/dbraw/zinc/66/49/37/385664937.db2.gz BHJOAFZBPPSNCY-ATCWAGBWSA-N 1 2 247.404 1.500 20 0 BDADLO CC(C)COCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000337444000 385664941 /nfs/dbraw/zinc/66/49/41/385664941.db2.gz BHJOAFZBPPSNCY-ATCWAGBWSA-N 1 2 247.404 1.500 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CC1(C)C)Cn1cc[nH+]c1 ZINC000269818527 385637291 /nfs/dbraw/zinc/63/72/91/385637291.db2.gz XVHRIQGNGCMOOX-QWRGUYRKSA-N 1 2 235.331 1.682 20 0 BDADLO C/C=C(\C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269835634 385640470 /nfs/dbraw/zinc/64/04/70/385640470.db2.gz CAQYDLPAQVWQBO-JPOQUURFSA-N 1 2 245.326 1.743 20 0 BDADLO CC(=O)NCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337413806 385644267 /nfs/dbraw/zinc/64/42/67/385644267.db2.gz QGJCCQJPQZSIBU-JTQLQIEISA-N 1 2 234.290 1.632 20 0 BDADLO CC(=O)NCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337413806 385644270 /nfs/dbraw/zinc/64/42/70/385644270.db2.gz QGJCCQJPQZSIBU-JTQLQIEISA-N 1 2 234.290 1.632 20 0 BDADLO CC[C@](C)([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000336682858 385645386 /nfs/dbraw/zinc/64/53/86/385645386.db2.gz DFQMSZKLTKHNNJ-LBPRGKRZSA-N 1 2 231.336 1.733 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000290165898 385648362 /nfs/dbraw/zinc/64/83/62/385648362.db2.gz QKXRMBJMDHFYEA-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337406380 385649745 /nfs/dbraw/zinc/64/97/45/385649745.db2.gz MZJAXICGZXXSDI-DTWKUNHWSA-N 1 2 239.331 1.830 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337406380 385649749 /nfs/dbraw/zinc/64/97/49/385649749.db2.gz MZJAXICGZXXSDI-DTWKUNHWSA-N 1 2 239.331 1.830 20 0 BDADLO O=C(CCCC1CC1)NCc1c[nH+]c[nH]1 ZINC000643214472 385655374 /nfs/dbraw/zinc/65/53/74/385655374.db2.gz OOZSNVGKZJYIGI-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO O=C(CCCC1CC1)NCc1c[nH]c[nH+]1 ZINC000643214472 385655378 /nfs/dbraw/zinc/65/53/78/385655378.db2.gz OOZSNVGKZJYIGI-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CC[C@H]([NH2+]CCC(O)(CC)CC)C(=O)OC ZINC000336734344 385666270 /nfs/dbraw/zinc/66/62/70/385666270.db2.gz KVIBFIAAPUJPQK-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO Cc1ccc(NC(=O)N[C@@]2(C)CCOC2)c(C)[nH+]1 ZINC000270120961 385673261 /nfs/dbraw/zinc/67/32/61/385673261.db2.gz IADMBOBMUQKNMS-ZDUSSCGKSA-N 1 2 249.314 1.999 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COc1ccsc1 ZINC000337483913 385682803 /nfs/dbraw/zinc/68/28/03/385682803.db2.gz GKEPUOIXTBMYHT-UHFFFAOYSA-N 1 2 248.307 1.891 20 0 BDADLO CC[C@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000281620310 385685565 /nfs/dbraw/zinc/68/55/65/385685565.db2.gz KCVUGHDKVKRQJE-NWDGAFQWSA-N 1 2 246.314 1.255 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccccc1 ZINC000184711816 385703317 /nfs/dbraw/zinc/70/33/17/385703317.db2.gz MNRUBXLOYGQXMO-SECBINFHSA-N 1 2 215.243 1.965 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCCC(=O)N2)c(C)[nH+]1 ZINC000270381729 385704307 /nfs/dbraw/zinc/70/43/07/385704307.db2.gz PSKYZJHSNSUMPM-NSHDSACASA-N 1 2 247.298 1.306 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000408457631 385708002 /nfs/dbraw/zinc/70/80/02/385708002.db2.gz PTRKVAZLAKNYDU-IUCAKERBSA-N 1 2 241.314 1.113 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000408457631 385708008 /nfs/dbraw/zinc/70/80/08/385708008.db2.gz PTRKVAZLAKNYDU-IUCAKERBSA-N 1 2 241.314 1.113 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ncn(C)n1 ZINC000309533117 385669243 /nfs/dbraw/zinc/66/92/43/385669243.db2.gz DPSIGNFRWXRMCF-KXUCPTDWSA-N 1 2 224.308 1.033 20 0 BDADLO CN(CCn1cc[nH+]c1)Cc1ccon1 ZINC000270901771 385757362 /nfs/dbraw/zinc/75/73/62/385757362.db2.gz REBJDYKOCXBHRT-UHFFFAOYSA-N 1 2 206.249 1.003 20 0 BDADLO COCC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493800549 533145851 /nfs/dbraw/zinc/14/58/51/533145851.db2.gz BFMLUTRIDDMZAF-ONEGZZNKSA-N 1 2 235.287 1.108 20 0 BDADLO COC(=O)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000260092870 385787038 /nfs/dbraw/zinc/78/70/38/385787038.db2.gz CBIBBCXBXRBSOH-MRVPVSSYSA-N 1 2 235.287 1.718 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cnccc1C ZINC000270925729 385760607 /nfs/dbraw/zinc/76/06/07/385760607.db2.gz VYXSYUHNWHIFPN-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnccc1C ZINC000270925729 385760613 /nfs/dbraw/zinc/76/06/13/385760613.db2.gz VYXSYUHNWHIFPN-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCSC1 ZINC000230919770 385766916 /nfs/dbraw/zinc/76/69/16/385766916.db2.gz IJNMPDJHCNDOLZ-SSDOTTSWSA-N 1 2 235.316 1.281 20 0 BDADLO CCN(C)c1ccc(C[NH2+]CC(F)F)cn1 ZINC000309662912 385774016 /nfs/dbraw/zinc/77/40/16/385774016.db2.gz RZALAHJSNQXBIL-UHFFFAOYSA-N 1 2 229.274 1.892 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000293977947 385779247 /nfs/dbraw/zinc/77/92/47/385779247.db2.gz RBPROYKNCIWOIA-NSHDSACASA-N 1 2 228.267 1.279 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000293977947 385779254 /nfs/dbraw/zinc/77/92/54/385779254.db2.gz RBPROYKNCIWOIA-NSHDSACASA-N 1 2 228.267 1.279 20 0 BDADLO CSCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000282718220 385781037 /nfs/dbraw/zinc/78/10/37/385781037.db2.gz HHSIGCRAKXUSGZ-SNAWJCMRSA-N 1 2 239.344 1.634 20 0 BDADLO CCC[C@@H]([NH2+]CC1(CC)COC1)C(=O)OCC ZINC000393993227 385783048 /nfs/dbraw/zinc/78/30/48/385783048.db2.gz YEVLISODODFFSW-LLVKDONJSA-N 1 2 243.347 1.734 20 0 BDADLO CC(C)Cn1cc(C[NH+]2CCOCC2)cn1 ZINC000182916939 385720698 /nfs/dbraw/zinc/72/06/98/385720698.db2.gz CGAIXJXDVPKBPZ-UHFFFAOYSA-N 1 2 223.320 1.371 20 0 BDADLO CCSCCCNC(=O)Cn1cc[nH+]c1 ZINC000281992624 385721559 /nfs/dbraw/zinc/72/15/59/385721559.db2.gz HDUJNGJKTASXDG-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000337586855 385721805 /nfs/dbraw/zinc/72/18/05/385721805.db2.gz SXYRXQOPJXJZPL-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1cncnc1 ZINC000340041744 385723971 /nfs/dbraw/zinc/72/39/71/385723971.db2.gz WTUWONSQALRPFZ-UHFFFAOYSA-N 1 2 242.282 1.173 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000571565261 385798022 /nfs/dbraw/zinc/79/80/22/385798022.db2.gz FRVOJQFSBABVGA-SNVBAGLBSA-N 1 2 239.344 1.457 20 0 BDADLO Cc1nnsc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000571565261 385798027 /nfs/dbraw/zinc/79/80/27/385798027.db2.gz FRVOJQFSBABVGA-SNVBAGLBSA-N 1 2 239.344 1.457 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000271187938 385801301 /nfs/dbraw/zinc/80/13/01/385801301.db2.gz KNZXQOPWKWLSCM-GDLVEWKHSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000271187938 385801304 /nfs/dbraw/zinc/80/13/04/385801304.db2.gz KNZXQOPWKWLSCM-GDLVEWKHSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000271187939 385801547 /nfs/dbraw/zinc/80/15/47/385801547.db2.gz KNZXQOPWKWLSCM-UVWXRNBGSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000271187939 385801554 /nfs/dbraw/zinc/80/15/54/385801554.db2.gz KNZXQOPWKWLSCM-UVWXRNBGSA-N 1 2 240.372 1.366 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000271199225 385803918 /nfs/dbraw/zinc/80/39/18/385803918.db2.gz PBPBTKZIWCRZOG-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC3(CCC3)C2)n1 ZINC000271199225 385803923 /nfs/dbraw/zinc/80/39/23/385803923.db2.gz PBPBTKZIWCRZOG-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1CCO ZINC000283153571 385812545 /nfs/dbraw/zinc/81/25/45/385812545.db2.gz ONHJBSLEUIHTLU-KOBKQOIESA-N 1 2 249.314 1.090 20 0 BDADLO CCC[C@H](OC)C(=O)NCCCn1cc[nH+]c1 ZINC000294157762 385815824 /nfs/dbraw/zinc/81/58/24/385815824.db2.gz AWOQKCVUGITXNC-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cc1cnc(C[N@H+](C)CCc2cnccn2)o1 ZINC000271314641 385816228 /nfs/dbraw/zinc/81/62/28/385816228.db2.gz IUDMPRYGVSJJSW-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCc2cnccn2)o1 ZINC000271314641 385816237 /nfs/dbraw/zinc/81/62/37/385816237.db2.gz IUDMPRYGVSJJSW-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000414564166 385816987 /nfs/dbraw/zinc/81/69/87/385816987.db2.gz CLJHZDJJGQQHPF-MFKMUULPSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000414564166 385816989 /nfs/dbraw/zinc/81/69/89/385816989.db2.gz CLJHZDJJGQQHPF-MFKMUULPSA-N 1 2 239.315 1.424 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1cnoc1C ZINC000365847927 385823130 /nfs/dbraw/zinc/82/31/30/385823130.db2.gz PFVYXUMSGGVCRL-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1cnoc1C ZINC000365847927 385823134 /nfs/dbraw/zinc/82/31/34/385823134.db2.gz PFVYXUMSGGVCRL-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO Cc1nnc(CSCCn2cc[nH+]c2)s1 ZINC000271395853 385824437 /nfs/dbraw/zinc/82/44/37/385824437.db2.gz XHGOJXKYQIPKAN-UHFFFAOYSA-N 1 2 240.357 1.976 20 0 BDADLO Cn1cncc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000271419039 385825445 /nfs/dbraw/zinc/82/54/45/385825445.db2.gz YCETUPPGTHUGCW-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1cncc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000271419039 385825447 /nfs/dbraw/zinc/82/54/47/385825447.db2.gz YCETUPPGTHUGCW-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1c[nH+]cc1CN(Cc1ccncc1)C1CC1 ZINC000271419039 385825451 /nfs/dbraw/zinc/82/54/51/385825451.db2.gz YCETUPPGTHUGCW-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1csc(C[N@@H+]2CCCN(C=O)CC2)n1 ZINC000294225545 385825848 /nfs/dbraw/zinc/82/58/48/385825848.db2.gz NVOXSPXSQDOOIR-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1csc(C[N@H+]2CCCN(C=O)CC2)n1 ZINC000294225545 385825852 /nfs/dbraw/zinc/82/58/52/385825852.db2.gz NVOXSPXSQDOOIR-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO COc1nccnc1C[NH2+]Cc1cccnc1 ZINC000294314563 385836939 /nfs/dbraw/zinc/83/69/39/385836939.db2.gz WEWYJPOZKANOHO-UHFFFAOYSA-N 1 2 230.271 1.170 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000294350946 385838411 /nfs/dbraw/zinc/83/84/11/385838411.db2.gz FXTWNLNQRVGSFD-HUYFXPKMSA-N 1 2 221.304 1.744 20 0 BDADLO CN(CC(C)(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283973706 385843382 /nfs/dbraw/zinc/84/33/82/385843382.db2.gz MIFRCHOHYDUQOP-AATRIKPKSA-N 1 2 221.304 1.927 20 0 BDADLO C[C@H](O)CNc1cc(N(C)CC2CC2)nc[nH+]1 ZINC000294387733 385844197 /nfs/dbraw/zinc/84/41/97/385844197.db2.gz MMKITXUDKVVFRQ-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](O)CNc1cc(N(C)CC2CC2)[nH+]cn1 ZINC000294387733 385844203 /nfs/dbraw/zinc/84/42/03/385844203.db2.gz MMKITXUDKVVFRQ-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](CO)CC(C)(C)C)c[nH+]1 ZINC000271704380 385846415 /nfs/dbraw/zinc/84/64/15/385846415.db2.gz VEXRSJNHAAWDJT-VIFPVBQESA-N 1 2 239.319 1.245 20 0 BDADLO Cc1coc(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000284106801 385850761 /nfs/dbraw/zinc/85/07/61/385850761.db2.gz USGZEGMGDZPROB-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CSCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284094173 385851821 /nfs/dbraw/zinc/85/18/21/385851821.db2.gz SRZSIBDFHAOBBV-ONEGZZNKSA-N 1 2 225.317 1.292 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1cn[nH]c1 ZINC000271110687 385788725 /nfs/dbraw/zinc/78/87/25/385788725.db2.gz GFSYYZOFNZDINY-SECBINFHSA-N 1 2 245.286 1.996 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2cccnc2)no1 ZINC000183727624 385791872 /nfs/dbraw/zinc/79/18/72/385791872.db2.gz HXWAZUYSPIBXKV-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2cccnc2)no1 ZINC000183727624 385791879 /nfs/dbraw/zinc/79/18/79/385791879.db2.gz HXWAZUYSPIBXKV-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1occc1C[N@@H+](C)Cc1ccn(C)n1 ZINC000271140771 385793226 /nfs/dbraw/zinc/79/32/26/385793226.db2.gz OZPQGVGXYIFRIY-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1occc1C[N@H+](C)Cc1ccn(C)n1 ZINC000271140771 385793230 /nfs/dbraw/zinc/79/32/30/385793230.db2.gz OZPQGVGXYIFRIY-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1c[nH+]c(CNc2cncc(F)c2)n1C ZINC000309698448 385797306 /nfs/dbraw/zinc/79/73/06/385797306.db2.gz LUGBRWLLQQKHRE-UHFFFAOYSA-N 1 2 220.251 1.875 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000338075865 385888933 /nfs/dbraw/zinc/88/89/33/385888933.db2.gz JIHGOFIPCDMECH-LBPRGKRZSA-N 1 2 235.331 1.920 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000272358656 385897679 /nfs/dbraw/zinc/89/76/79/385897679.db2.gz MRXMCGONBYRFLT-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000272358656 385897684 /nfs/dbraw/zinc/89/76/84/385897684.db2.gz MRXMCGONBYRFLT-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCOCC(C)C ZINC000647850556 385900010 /nfs/dbraw/zinc/90/00/10/385900010.db2.gz QHQRFAUIRRYLPY-UHFFFAOYSA-N 1 2 237.347 1.990 20 0 BDADLO CCC1(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000308886265 385904245 /nfs/dbraw/zinc/90/42/45/385904245.db2.gz PXTRRLDCNDOYDD-UHFFFAOYSA-N 1 2 207.281 1.364 20 0 BDADLO CCC1(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000308886265 385904248 /nfs/dbraw/zinc/90/42/48/385904248.db2.gz PXTRRLDCNDOYDD-UHFFFAOYSA-N 1 2 207.281 1.364 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000338182553 385912338 /nfs/dbraw/zinc/91/23/38/385912338.db2.gz XGRJLERETUHAOB-BQBZGAKWSA-N 1 2 229.230 1.269 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000294912564 385914164 /nfs/dbraw/zinc/91/41/64/385914164.db2.gz IITVPSQNXWITFE-GFCCVEGCSA-N 1 2 235.331 1.665 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000294912564 385914167 /nfs/dbraw/zinc/91/41/67/385914167.db2.gz IITVPSQNXWITFE-GFCCVEGCSA-N 1 2 235.331 1.665 20 0 BDADLO COC[C@H](C)[NH2+]Cc1nc(C2CC2)no1 ZINC000308946969 385915987 /nfs/dbraw/zinc/91/59/87/385915987.db2.gz OAJBVHWPWCSUES-ZETCQYMHSA-N 1 2 211.265 1.072 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)C)CCO2 ZINC000285471624 385929885 /nfs/dbraw/zinc/92/98/85/385929885.db2.gz HNCHALXSMQPPQH-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C)CCO2 ZINC000285471624 385929892 /nfs/dbraw/zinc/92/98/92/385929892.db2.gz HNCHALXSMQPPQH-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342078863 385922005 /nfs/dbraw/zinc/92/20/05/385922005.db2.gz RQOHWQYEECQLQB-SDDRHHMPSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342078863 385922008 /nfs/dbraw/zinc/92/20/08/385922008.db2.gz RQOHWQYEECQLQB-SDDRHHMPSA-N 1 2 240.347 1.010 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cscn2)C1 ZINC000285429144 385923247 /nfs/dbraw/zinc/92/32/47/385923247.db2.gz QXXKAZCKUUGECG-AOOOYVTPSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cscn2)C1 ZINC000285429144 385923250 /nfs/dbraw/zinc/92/32/50/385923250.db2.gz QXXKAZCKUUGECG-AOOOYVTPSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cn(C)nn2)[C@H]1C ZINC000335033953 385923273 /nfs/dbraw/zinc/92/32/73/385923273.db2.gz SQWLELMYSUAJJH-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cn(C)nn2)[C@H]1C ZINC000335033953 385923277 /nfs/dbraw/zinc/92/32/77/385923277.db2.gz SQWLELMYSUAJJH-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO CN(CCC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284314596 385862654 /nfs/dbraw/zinc/86/26/54/385862654.db2.gz HLOAAHISHPOACY-SNAWJCMRSA-N 1 2 219.288 1.681 20 0 BDADLO COc1ccc([C@@H]2COCC[N@@H+]2CCO)cc1 ZINC000616640604 385864662 /nfs/dbraw/zinc/86/46/62/385864662.db2.gz IUJQNPWJYLVNLS-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO COc1ccc([C@@H]2COCC[N@H+]2CCO)cc1 ZINC000616640604 385864664 /nfs/dbraw/zinc/86/46/64/385864664.db2.gz IUJQNPWJYLVNLS-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCCCO ZINC000284422708 385867963 /nfs/dbraw/zinc/86/79/63/385867963.db2.gz OTMQGTSXZRMVBR-AATRIKPKSA-N 1 2 237.303 1.092 20 0 BDADLO CO[C@@H]1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000340191983 385873906 /nfs/dbraw/zinc/87/39/06/385873906.db2.gz KVFNCMDQSTXYMR-VHSXEESVSA-N 1 2 237.303 1.231 20 0 BDADLO CCCn1nccc1NC(=O)CCn1cc[nH+]c1 ZINC000338019806 385875727 /nfs/dbraw/zinc/87/57/27/385875727.db2.gz GAWWKDKAJPXIGO-UHFFFAOYSA-N 1 2 247.302 1.518 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000294649475 385878524 /nfs/dbraw/zinc/87/85/24/385878524.db2.gz BHNZVWXPRAZXFY-VXGBXAGGSA-N 1 2 249.314 1.239 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000294649475 385878527 /nfs/dbraw/zinc/87/85/27/385878527.db2.gz BHNZVWXPRAZXFY-VXGBXAGGSA-N 1 2 249.314 1.239 20 0 BDADLO CC(C)([NH3+])CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000647920707 385879727 /nfs/dbraw/zinc/87/97/27/385879727.db2.gz VGCAABOQOFPXOZ-UHFFFAOYSA-N 1 2 247.302 1.414 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCC(=O)OC(C)C)n1 ZINC000340496372 385979432 /nfs/dbraw/zinc/97/94/32/385979432.db2.gz MPYWOVRRQHFUPH-QMMMGPOBSA-N 1 2 241.291 1.370 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000148603257 385982342 /nfs/dbraw/zinc/98/23/42/385982342.db2.gz HJYFWZKZRITVFE-GZMMTYOYSA-N 1 2 209.293 1.375 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCSC(C)C ZINC000338382646 385982934 /nfs/dbraw/zinc/98/29/34/385982934.db2.gz XUBPWYNIDOUGNY-VIFPVBQESA-N 1 2 219.350 1.621 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCSC(C)C ZINC000338382646 385982937 /nfs/dbraw/zinc/98/29/37/385982937.db2.gz XUBPWYNIDOUGNY-VIFPVBQESA-N 1 2 219.350 1.621 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCSC(C)C ZINC000338382644 385985273 /nfs/dbraw/zinc/98/52/73/385985273.db2.gz XUBPWYNIDOUGNY-SECBINFHSA-N 1 2 219.350 1.621 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCSC(C)C ZINC000338382644 385985275 /nfs/dbraw/zinc/98/52/75/385985275.db2.gz XUBPWYNIDOUGNY-SECBINFHSA-N 1 2 219.350 1.621 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nnc(C)o2)CC[C@@H]1C ZINC000189357391 385986402 /nfs/dbraw/zinc/98/64/02/385986402.db2.gz ZFCIKRLBIFNSAD-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)o2)CC[C@@H]1C ZINC000189357391 385986408 /nfs/dbraw/zinc/98/64/08/385986408.db2.gz ZFCIKRLBIFNSAD-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@@H](F)C1 ZINC000345084207 385992456 /nfs/dbraw/zinc/99/24/56/385992456.db2.gz VSOLLORZQKRDML-NXEZZACHSA-N 1 2 240.282 1.073 20 0 BDADLO C[C@H]1CC=C(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000335039303 385930653 /nfs/dbraw/zinc/93/06/53/385930653.db2.gz HKPDZYQPDRCABF-JTQLQIEISA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)(C)C1=CC[N@H+](Cc2cnn[nH]2)CC1 ZINC000294978934 385931678 /nfs/dbraw/zinc/93/16/78/385931678.db2.gz OYACSHZRUFYTTI-UHFFFAOYSA-N 1 2 220.320 1.983 20 0 BDADLO CC(C)(C)C1=CC[N@@H+](Cc2cnn[nH]2)CC1 ZINC000294978934 385931683 /nfs/dbraw/zinc/93/16/83/385931683.db2.gz OYACSHZRUFYTTI-UHFFFAOYSA-N 1 2 220.320 1.983 20 0 BDADLO CC(C)(C)C1=CC[N@H+](Cc2c[nH]nn2)CC1 ZINC000294978934 385931689 /nfs/dbraw/zinc/93/16/89/385931689.db2.gz OYACSHZRUFYTTI-UHFFFAOYSA-N 1 2 220.320 1.983 20 0 BDADLO CC(C)(C)C1=CC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000294978934 385931696 /nfs/dbraw/zinc/93/16/96/385931696.db2.gz OYACSHZRUFYTTI-UHFFFAOYSA-N 1 2 220.320 1.983 20 0 BDADLO CC(C)(C)C1=CC[N@H+](Cc2cn[nH]n2)CC1 ZINC000294978934 385931701 /nfs/dbraw/zinc/93/17/01/385931701.db2.gz OYACSHZRUFYTTI-UHFFFAOYSA-N 1 2 220.320 1.983 20 0 BDADLO CC(C)(C)C1=CC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000294978934 385931705 /nfs/dbraw/zinc/93/17/05/385931705.db2.gz OYACSHZRUFYTTI-UHFFFAOYSA-N 1 2 220.320 1.983 20 0 BDADLO COC1(C(=O)NCCNc2cccc[nH+]2)CCC1 ZINC000272811197 385937472 /nfs/dbraw/zinc/93/74/72/385937472.db2.gz CLZIBMBDDQASJS-UHFFFAOYSA-N 1 2 249.314 1.179 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)C1(CO)CC1 ZINC000285549726 385939173 /nfs/dbraw/zinc/93/91/73/385939173.db2.gz QQXQCNOTFOVRLP-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)C1(CO)CC1 ZINC000285549726 385939180 /nfs/dbraw/zinc/93/91/80/385939180.db2.gz QQXQCNOTFOVRLP-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000636993341 385942106 /nfs/dbraw/zinc/94/21/06/385942106.db2.gz QNCKTJDPODDRFJ-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000636993341 385942111 /nfs/dbraw/zinc/94/21/11/385942111.db2.gz QNCKTJDPODDRFJ-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H](NCc1[nH]cc[nH+]1)c1c(F)cncc1F ZINC000285562046 385943477 /nfs/dbraw/zinc/94/34/77/385943477.db2.gz SOZQNGDQHXHNTI-SSDOTTSWSA-N 1 2 238.241 1.934 20 0 BDADLO O=C1C[C@H](Nc2cccc[nH+]2)[C@@H]2CCCCN12 ZINC000335050271 385946126 /nfs/dbraw/zinc/94/61/26/385946126.db2.gz LTELYVJSMBAQAF-QWRGUYRKSA-N 1 2 231.299 1.647 20 0 BDADLO CO[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000272893173 385948075 /nfs/dbraw/zinc/94/80/75/385948075.db2.gz OATHULQJPVQVHQ-NSHDSACASA-N 1 2 247.342 1.889 20 0 BDADLO CO[C@@H](C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000342162184 385949723 /nfs/dbraw/zinc/94/97/23/385949723.db2.gz VIFAMSPZPVTMEL-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO Cc1noc([C@@H]2CCCCN2Cc2c[nH+]c[nH]2)n1 ZINC000285683206 385954078 /nfs/dbraw/zinc/95/40/78/385954078.db2.gz OAUVYYVXRLRRCN-NSHDSACASA-N 1 2 247.302 1.828 20 0 BDADLO Cc1noc([C@@H]2CCCCN2Cc2c[nH]c[nH+]2)n1 ZINC000285683206 385954084 /nfs/dbraw/zinc/95/40/84/385954084.db2.gz OAUVYYVXRLRRCN-NSHDSACASA-N 1 2 247.302 1.828 20 0 BDADLO COC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000336746708 385962414 /nfs/dbraw/zinc/96/24/14/385962414.db2.gz WTFVZUWMCZIOKM-LBPRGKRZSA-N 1 2 229.320 1.080 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cs1 ZINC000295085839 385964244 /nfs/dbraw/zinc/96/42/44/385964244.db2.gz SQCSQGKBAJILAK-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)cs1 ZINC000295085839 385964250 /nfs/dbraw/zinc/96/42/50/385964250.db2.gz SQCSQGKBAJILAK-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO COc1ncc(C[NH2+]Cc2cc(C)no2)s1 ZINC000309259902 385998273 /nfs/dbraw/zinc/99/82/73/385998273.db2.gz BOUKPRSKAMGFCV-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO CCOC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000336752058 386013995 /nfs/dbraw/zinc/01/39/95/386013995.db2.gz DEKKKIHZTOWOML-SECBINFHSA-N 1 2 221.304 1.613 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000643270286 386020714 /nfs/dbraw/zinc/02/07/14/386020714.db2.gz OCXWABOBIGSBQR-NTZNESFSSA-N 1 2 247.342 1.750 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2ccncc2C)n1 ZINC000414640180 386030823 /nfs/dbraw/zinc/03/08/23/386030823.db2.gz HLLMGZOZHFMZJE-ARJAWSKDSA-N 1 2 230.271 1.663 20 0 BDADLO Cc1sccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000295431642 386031798 /nfs/dbraw/zinc/03/17/98/386031798.db2.gz TUEOTRFYCLXWBK-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1sccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000295431642 386031806 /nfs/dbraw/zinc/03/18/06/386031806.db2.gz TUEOTRFYCLXWBK-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCOCC[C@H]1C ZINC000366075446 386036884 /nfs/dbraw/zinc/03/68/84/386036884.db2.gz DHVOLQXCOKKVBH-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCOCC[C@H]1C ZINC000366075446 386036891 /nfs/dbraw/zinc/03/68/91/386036891.db2.gz DHVOLQXCOKKVBH-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cc(NC(=O)c2cn(C(C)C)nn2)cc[nH+]1 ZINC000340228273 386037436 /nfs/dbraw/zinc/03/74/36/386037436.db2.gz CYASVLQMBJFKNG-UHFFFAOYSA-N 1 2 245.286 1.237 20 0 BDADLO C[C@@H]1CC[C@@]2(C1)NC(=O)[C@@H]1CSCC[N@H+]12 ZINC000414199892 386038125 /nfs/dbraw/zinc/03/81/25/386038125.db2.gz DALHSDOYMKJCOS-WCABBAIRSA-N 1 2 226.345 1.050 20 0 BDADLO C[C@@H]1CC[C@@]2(C1)NC(=O)[C@@H]1CSCC[N@@H+]12 ZINC000414199892 386038128 /nfs/dbraw/zinc/03/81/28/386038128.db2.gz DALHSDOYMKJCOS-WCABBAIRSA-N 1 2 226.345 1.050 20 0 BDADLO CON(CC(C)(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000286457315 386040666 /nfs/dbraw/zinc/04/06/66/386040666.db2.gz JZQUUHJMRYLUKE-AATRIKPKSA-N 1 2 237.303 1.859 20 0 BDADLO CCCCC[N@@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000414205064 386042732 /nfs/dbraw/zinc/04/27/32/386042732.db2.gz IIOKDFPNYUFQSD-WCQYABFASA-N 1 2 240.347 1.504 20 0 BDADLO CCCCC[N@H+]1CC(=O)N[C@]12CCO[C@@H](C)C2 ZINC000414205064 386042736 /nfs/dbraw/zinc/04/27/36/386042736.db2.gz IIOKDFPNYUFQSD-WCQYABFASA-N 1 2 240.347 1.504 20 0 BDADLO Cc1ncoc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000335076297 386044457 /nfs/dbraw/zinc/04/44/57/386044457.db2.gz WNWBJKOHBNNZOO-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CCCCO2)cc(C)[nH+]1 ZINC000335076638 386047376 /nfs/dbraw/zinc/04/73/76/386047376.db2.gz ZVELGGGUSGIMMT-ZDUSSCGKSA-N 1 2 248.326 1.884 20 0 BDADLO FC(F)C[C@@H]1COCCN1CCn1cc[nH+]c1 ZINC000286537456 386047926 /nfs/dbraw/zinc/04/79/26/386047926.db2.gz ROFSEUYWWOTGHS-SNVBAGLBSA-N 1 2 245.273 1.239 20 0 BDADLO Cc1[nH]c(C(=O)NC2Cc3ccccc3C2)c[nH+]1 ZINC000273893124 386049268 /nfs/dbraw/zinc/04/92/68/386049268.db2.gz VTGDBZGVIMTJDN-UHFFFAOYSA-N 1 2 241.294 1.615 20 0 BDADLO Cc1cc(N[C@@]2(C)CCO[C@H]2C)nc[nH+]1 ZINC000230098986 134481120 /nfs/dbraw/zinc/48/11/20/134481120.db2.gz XJAQAZVQTVXPLJ-ONGXEEELSA-N 1 2 207.277 1.764 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000335080035 386053384 /nfs/dbraw/zinc/05/33/84/386053384.db2.gz YTRQWPRMCAZJKP-ZJUUUORDSA-N 1 2 239.294 1.896 20 0 BDADLO OCC[C@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425434480 386053774 /nfs/dbraw/zinc/05/37/74/386053774.db2.gz QALHOVVBNBCMIH-SSDOTTSWSA-N 1 2 247.245 1.354 20 0 BDADLO OCC[C@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425434480 386053777 /nfs/dbraw/zinc/05/37/77/386053777.db2.gz QALHOVVBNBCMIH-SSDOTTSWSA-N 1 2 247.245 1.354 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000334433766 386055256 /nfs/dbraw/zinc/05/52/56/386055256.db2.gz NAMQFQDPHNYSPU-NSHDSACASA-N 1 2 214.284 1.041 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000334433766 386055261 /nfs/dbraw/zinc/05/52/61/386055261.db2.gz NAMQFQDPHNYSPU-NSHDSACASA-N 1 2 214.284 1.041 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOCC1(C)C ZINC000295228156 385996922 /nfs/dbraw/zinc/99/69/22/385996922.db2.gz CMBGDEJZEZVKGS-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nocc1C[N@H+]1CCOCC1(C)C ZINC000295228156 385996929 /nfs/dbraw/zinc/99/69/29/385996929.db2.gz CMBGDEJZEZVKGS-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274437389 386101884 /nfs/dbraw/zinc/10/18/84/386101884.db2.gz AGOSOXYDXSNQDM-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC3(CCCC3)C2)n1 ZINC000334455480 386106224 /nfs/dbraw/zinc/10/62/24/386106224.db2.gz WEEJOGSZCQEVDQ-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC3(CCCC3)C2)n1 ZINC000334455480 386106229 /nfs/dbraw/zinc/10/62/29/386106229.db2.gz WEEJOGSZCQEVDQ-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO CC(C)c1nc(N2CC[C@H](C)[C@H]2CO)cc[nH+]1 ZINC000189866658 386106807 /nfs/dbraw/zinc/10/68/07/386106807.db2.gz WVKLOYHVDSUTDG-WDEREUQCSA-N 1 2 235.331 1.807 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287272288 386107915 /nfs/dbraw/zinc/10/79/15/386107915.db2.gz HUUFCFYCELJUIZ-NSHDSACASA-N 1 2 236.702 1.544 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287272288 386107925 /nfs/dbraw/zinc/10/79/25/386107925.db2.gz HUUFCFYCELJUIZ-NSHDSACASA-N 1 2 236.702 1.544 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)CO1 ZINC000645390931 386112659 /nfs/dbraw/zinc/11/26/59/386112659.db2.gz XOEDEZUDNRIJIX-WCBMZHEXSA-N 1 2 234.303 1.640 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)CO1 ZINC000645390931 386112664 /nfs/dbraw/zinc/11/26/64/386112664.db2.gz XOEDEZUDNRIJIX-WCBMZHEXSA-N 1 2 234.303 1.640 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)CO1 ZINC000645390932 386112742 /nfs/dbraw/zinc/11/27/42/386112742.db2.gz XOEDEZUDNRIJIX-WPRPVWTQSA-N 1 2 234.303 1.640 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)CO1 ZINC000645390932 386112746 /nfs/dbraw/zinc/11/27/46/386112746.db2.gz XOEDEZUDNRIJIX-WPRPVWTQSA-N 1 2 234.303 1.640 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C(C)C)C1COC1 ZINC000295970307 386113569 /nfs/dbraw/zinc/11/35/69/386113569.db2.gz IMAOTYXNMKAQPW-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C(C)C)C1COC1 ZINC000295970307 386113578 /nfs/dbraw/zinc/11/35/78/386113578.db2.gz IMAOTYXNMKAQPW-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1ccc(/C=C\C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000216419386 386117107 /nfs/dbraw/zinc/11/71/07/386117107.db2.gz PDAPIYJMCUKTIH-WAYWQWQTSA-N 1 2 245.282 1.983 20 0 BDADLO CN(C)c1noc(C[NH2+]Cc2cccs2)n1 ZINC000190969679 386117449 /nfs/dbraw/zinc/11/74/49/386117449.db2.gz HGLBQJZYFMLVMH-UHFFFAOYSA-N 1 2 238.316 1.487 20 0 BDADLO CCC1(CC)CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000338733240 386119788 /nfs/dbraw/zinc/11/97/88/386119788.db2.gz DLFHVOXCNPWOPD-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CCC1(CC)CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000338733240 386119790 /nfs/dbraw/zinc/11/97/90/386119790.db2.gz DLFHVOXCNPWOPD-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO O=S1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000334461939 386120037 /nfs/dbraw/zinc/12/00/37/386120037.db2.gz PSEXJEUDPRGNPZ-KBPBESRZSA-N 1 2 249.379 1.854 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ncnn1C ZINC000353209666 386065342 /nfs/dbraw/zinc/06/53/42/386065342.db2.gz NDJPWXBBAVISAZ-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO Cc1ocnc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000335073205 386066100 /nfs/dbraw/zinc/06/61/00/386066100.db2.gz JTSQCEVTAHDKSE-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccno2)C(C)(C)C1 ZINC000334444294 386066305 /nfs/dbraw/zinc/06/63/05/386066305.db2.gz DVHWOVBOAJSHID-UHFFFAOYSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccno2)C(C)(C)C1 ZINC000334444294 386066309 /nfs/dbraw/zinc/06/63/09/386066309.db2.gz DVHWOVBOAJSHID-UHFFFAOYSA-N 1 2 237.303 1.117 20 0 BDADLO CON(CC(C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC000286674570 386066903 /nfs/dbraw/zinc/06/69/03/386066903.db2.gz ZBGMLGZOBGLNPN-UHFFFAOYSA-N 1 2 225.292 1.319 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000124697071 386122175 /nfs/dbraw/zinc/12/21/75/386122175.db2.gz YYIQLPLEFONDOE-MRVPVSSYSA-N 1 2 205.265 1.292 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000189722398 386081496 /nfs/dbraw/zinc/08/14/96/386081496.db2.gz MACGSGPMUXDRFJ-LLVKDONJSA-N 1 2 223.320 1.765 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000345262381 386083610 /nfs/dbraw/zinc/08/36/10/386083610.db2.gz HSWVXHBXBFDBRC-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](C)(F)C1 ZINC000295781593 386085583 /nfs/dbraw/zinc/08/55/83/386085583.db2.gz QDLYQBILLZBUGW-LBPRGKRZSA-N 1 2 239.294 1.611 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c[nH+]1 ZINC000274303061 386089168 /nfs/dbraw/zinc/08/91/68/386089168.db2.gz STUGVRHMGLQAED-ZYHUDNBSSA-N 1 2 249.314 1.406 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1=CCCOC1 ZINC000286999458 386089859 /nfs/dbraw/zinc/08/98/59/386089859.db2.gz GYFXVFSHVQZBQJ-UHFFFAOYSA-N 1 2 247.298 1.858 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1noc(C)n1)C1CC1 ZINC000425453526 386094991 /nfs/dbraw/zinc/09/49/91/386094991.db2.gz FEVBDUFURVOCAQ-SNVBAGLBSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1noc(C)n1)C1CC1 ZINC000425453526 386094997 /nfs/dbraw/zinc/09/49/97/386094997.db2.gz FEVBDUFURVOCAQ-SNVBAGLBSA-N 1 2 225.292 1.235 20 0 BDADLO C[N@H+](Cc1ccc(Cl)o1)[C@H]1CCNC1=O ZINC000334453261 386095269 /nfs/dbraw/zinc/09/52/69/386095269.db2.gz SUNKGBDQRFIJQG-QMMMGPOBSA-N 1 2 228.679 1.253 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)o1)[C@H]1CCNC1=O ZINC000334453261 386095273 /nfs/dbraw/zinc/09/52/73/386095273.db2.gz SUNKGBDQRFIJQG-QMMMGPOBSA-N 1 2 228.679 1.253 20 0 BDADLO Cc1cnccc1C(=O)NCCn1cc[nH+]c1 ZINC000274405099 386098564 /nfs/dbraw/zinc/09/85/64/386098564.db2.gz FLJBNIJHPNVJMV-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000335152037 386146719 /nfs/dbraw/zinc/14/67/19/386146719.db2.gz JTFWDONARNJLHG-LLVKDONJSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000335152037 386146725 /nfs/dbraw/zinc/14/67/25/386146725.db2.gz JTFWDONARNJLHG-LLVKDONJSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cnn(C)c1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335152037 386146730 /nfs/dbraw/zinc/14/67/30/386146730.db2.gz JTFWDONARNJLHG-LLVKDONJSA-N 1 2 245.330 1.789 20 0 BDADLO CC(C)c1nc(NCc2ccncn2)cc[nH+]1 ZINC000346107746 386149985 /nfs/dbraw/zinc/14/99/85/386149985.db2.gz WPBLSHPLKVEYSJ-UHFFFAOYSA-N 1 2 229.287 1.424 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1Cc2cccc(F)c2C1 ZINC000335156469 386150507 /nfs/dbraw/zinc/15/05/07/386150507.db2.gz QTBFGBIYKTZGBL-GFCCVEGCSA-N 1 2 234.274 1.420 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1Cc2cccc(F)c2C1 ZINC000335156469 386150509 /nfs/dbraw/zinc/15/05/09/386150509.db2.gz QTBFGBIYKTZGBL-GFCCVEGCSA-N 1 2 234.274 1.420 20 0 BDADLO Cc1nc(NCc2c[nH+]c3ccc(C)cn23)n[nH]1 ZINC000296224394 386151835 /nfs/dbraw/zinc/15/18/35/386151835.db2.gz ZYBAASDZXGAZOS-UHFFFAOYSA-N 1 2 242.286 1.681 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000335158481 386152679 /nfs/dbraw/zinc/15/26/79/386152679.db2.gz ZDSSLUGJSVNURC-QWRGUYRKSA-N 1 2 238.360 1.549 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000335158481 386152683 /nfs/dbraw/zinc/15/26/83/386152683.db2.gz ZDSSLUGJSVNURC-QWRGUYRKSA-N 1 2 238.360 1.549 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCCC12CCC2 ZINC000365553784 386155346 /nfs/dbraw/zinc/15/53/46/386155346.db2.gz YEXPEGAJZDJFMN-UHFFFAOYSA-N 1 2 243.314 1.886 20 0 BDADLO CC1CC[NH+](CCSc2n[nH]c(=O)[nH]2)CC1 ZINC000188059443 386156009 /nfs/dbraw/zinc/15/60/09/386156009.db2.gz GQZPQSRASNGXSV-UHFFFAOYSA-N 1 2 242.348 1.334 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C(F)F ZINC000190172776 386157590 /nfs/dbraw/zinc/15/75/90/386157590.db2.gz AZDLEQDMPKXMFW-UHFFFAOYSA-N 1 2 215.203 1.351 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000440800853 386159166 /nfs/dbraw/zinc/15/91/66/386159166.db2.gz XHHLGFSAJLRECS-HBNTYKKESA-N 1 2 228.311 1.478 20 0 BDADLO CC[C@H](F)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000440800853 386159171 /nfs/dbraw/zinc/15/91/71/386159171.db2.gz XHHLGFSAJLRECS-HBNTYKKESA-N 1 2 228.311 1.478 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1CCSCC1 ZINC000263686006 386166169 /nfs/dbraw/zinc/16/61/69/386166169.db2.gz HPUALWSIJSAQEU-UHFFFAOYSA-N 1 2 239.344 1.285 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C)nn1 ZINC000414371107 386169789 /nfs/dbraw/zinc/16/97/89/386169789.db2.gz MCEHWBSMWJFDNR-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(C)nn1 ZINC000414371107 386169794 /nfs/dbraw/zinc/16/97/94/386169794.db2.gz MCEHWBSMWJFDNR-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cn2cc(NC(=O)[C@H]3CCOC3)ccc2[nH+]1 ZINC000263750418 386172911 /nfs/dbraw/zinc/17/29/11/386172911.db2.gz CBIINSWRAXKWEJ-JTQLQIEISA-N 1 2 245.282 1.618 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)CCc1[nH]cc[nH+]1 ZINC000288162647 386173216 /nfs/dbraw/zinc/17/32/16/386173216.db2.gz MDABUZUCRJXYBY-SECBINFHSA-N 1 2 225.292 1.531 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000263769119 386174004 /nfs/dbraw/zinc/17/40/04/386174004.db2.gz JNFNHALJKKLBBO-QWHCGFSZSA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000263769119 386174010 /nfs/dbraw/zinc/17/40/10/386174010.db2.gz JNFNHALJKKLBBO-QWHCGFSZSA-N 1 2 248.326 1.324 20 0 BDADLO CCc1nc(N2CCO[C@@H]3C[C@@H]32)cc(C)[nH+]1 ZINC000366183792 386174512 /nfs/dbraw/zinc/17/45/12/386174512.db2.gz QSLLJEBWENCIPO-VHSXEESVSA-N 1 2 219.288 1.325 20 0 BDADLO CC[C@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000275036727 386175093 /nfs/dbraw/zinc/17/50/93/386175093.db2.gz QMBNVALLXWFKAL-JTQLQIEISA-N 1 2 249.314 1.211 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)CC(C)(C)CO ZINC000425493950 386175848 /nfs/dbraw/zinc/17/58/48/386175848.db2.gz QBCUXFCCULPMST-UHFFFAOYSA-N 1 2 249.261 1.458 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)CC(C)(C)CO ZINC000425493950 386175850 /nfs/dbraw/zinc/17/58/50/386175850.db2.gz QBCUXFCCULPMST-UHFFFAOYSA-N 1 2 249.261 1.458 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C)nn1 ZINC000414373381 386176963 /nfs/dbraw/zinc/17/69/63/386176963.db2.gz RULKOQVNYYZKPH-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C)nn1 ZINC000414373381 386176969 /nfs/dbraw/zinc/17/69/69/386176969.db2.gz RULKOQVNYYZKPH-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC1(C)COC[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000425497212 386178240 /nfs/dbraw/zinc/17/82/40/386178240.db2.gz WIANFMHBHDSDOQ-LURJTMIESA-N 1 2 247.245 1.522 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)(F)F ZINC000338932197 386182545 /nfs/dbraw/zinc/18/25/45/386182545.db2.gz ZERPQJUPJNXQSY-DTWKUNHWSA-N 1 2 245.273 1.679 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccccc1OC(F)F ZINC000338937522 386182591 /nfs/dbraw/zinc/18/25/91/386182591.db2.gz XYGVBJMXKXEUNS-UHFFFAOYSA-N 1 2 244.241 1.205 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccccc1OC(F)F ZINC000338937522 386182597 /nfs/dbraw/zinc/18/25/97/386182597.db2.gz XYGVBJMXKXEUNS-UHFFFAOYSA-N 1 2 244.241 1.205 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC[C@H](OC)C2)n1 ZINC000076344934 386125302 /nfs/dbraw/zinc/12/53/02/386125302.db2.gz OUCQVRJQPRUCDQ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCC[C@H](OC)C2)n1 ZINC000076344934 386125311 /nfs/dbraw/zinc/12/53/11/386125311.db2.gz OUCQVRJQPRUCDQ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000296076416 386133007 /nfs/dbraw/zinc/13/30/07/386133007.db2.gz DVWVTCSEHHWQDB-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CCc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000296076416 386133012 /nfs/dbraw/zinc/13/30/12/386133012.db2.gz DVWVTCSEHHWQDB-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338793063 386142031 /nfs/dbraw/zinc/14/20/31/386142031.db2.gz NSXRKPMFYOABRL-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338793063 386142038 /nfs/dbraw/zinc/14/20/38/386142038.db2.gz NSXRKPMFYOABRL-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)C(C)(C)O ZINC000338792485 386142388 /nfs/dbraw/zinc/14/23/88/386142388.db2.gz RWDQRJYMIPWVHR-JTQLQIEISA-N 1 2 237.347 1.983 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000339003785 386201077 /nfs/dbraw/zinc/20/10/77/386201077.db2.gz ZFSHXDUZIMQMSX-LBPRGKRZSA-N 1 2 241.310 1.370 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000339003785 386201083 /nfs/dbraw/zinc/20/10/83/386201083.db2.gz ZFSHXDUZIMQMSX-LBPRGKRZSA-N 1 2 241.310 1.370 20 0 BDADLO O=C(c1cocn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000264164781 386212537 /nfs/dbraw/zinc/21/25/37/386212537.db2.gz IVGDQHAXSFNLNL-SNVBAGLBSA-N 1 2 246.270 1.765 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C)cc(C)[nH+]1 ZINC000643318572 386218272 /nfs/dbraw/zinc/21/82/72/386218272.db2.gz SKCMPNACRMAZMP-QPUJVOFHSA-N 1 2 218.300 1.971 20 0 BDADLO CC[C@@H](C)N(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000288597569 386219305 /nfs/dbraw/zinc/21/93/05/386219305.db2.gz SVZAWTWBXLETOO-SNVBAGLBSA-N 1 2 235.331 1.951 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@@H]3C[C@H]3C)CCO2)n[nH]1 ZINC000408360507 386222066 /nfs/dbraw/zinc/22/20/66/386222066.db2.gz VEDAMFDWKYULJI-MIMYLULJSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@@H]3C[C@H]3C)CCO2)n[nH]1 ZINC000408360507 386222071 /nfs/dbraw/zinc/22/20/71/386222071.db2.gz VEDAMFDWKYULJI-MIMYLULJSA-N 1 2 236.319 1.142 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347036445 386225713 /nfs/dbraw/zinc/22/57/13/386225713.db2.gz GXMYKEGXWNCNDV-NTZNESFSSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347036445 386225717 /nfs/dbraw/zinc/22/57/17/386225717.db2.gz GXMYKEGXWNCNDV-NTZNESFSSA-N 1 2 236.315 1.224 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C[C@H]1C=CCC1 ZINC000264333047 386226859 /nfs/dbraw/zinc/22/68/59/386226859.db2.gz UAMLBUDQFOQRJG-JTQLQIEISA-N 1 2 219.288 1.393 20 0 BDADLO CN(CC1CCC1)C(=O)CCn1cc[nH+]c1 ZINC000347047187 386227912 /nfs/dbraw/zinc/22/79/12/386227912.db2.gz DETTTXXEIWPBTE-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO Cc1ccoc1C(=O)NCc1[nH+]ccn1C ZINC000264364713 386229133 /nfs/dbraw/zinc/22/91/33/386229133.db2.gz ZHXGQSNILCXLCJ-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCc1[nH]cc[nH+]1 ZINC000416162435 386229596 /nfs/dbraw/zinc/22/95/96/386229596.db2.gz VCBMCRRMQRZVIQ-SECBINFHSA-N 1 2 225.292 1.087 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ocnc2C2CC2)C1 ZINC000297164465 386231642 /nfs/dbraw/zinc/23/16/42/386231642.db2.gz SPHZHWOKISPPBM-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO CN(C)c1ccccc1C[N@H+](C)[C@@H]1CCOC1=O ZINC000288762191 386231919 /nfs/dbraw/zinc/23/19/19/386231919.db2.gz HNUBTVXAMSJLDX-CYBMUJFWSA-N 1 2 248.326 1.500 20 0 BDADLO CN(C)c1ccccc1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000288762191 386231925 /nfs/dbraw/zinc/23/19/25/386231925.db2.gz HNUBTVXAMSJLDX-CYBMUJFWSA-N 1 2 248.326 1.500 20 0 BDADLO c1cc2c(o1)CCC[N@@H+](Cc1c[nH]cn1)C2 ZINC000288754293 386232535 /nfs/dbraw/zinc/23/25/35/386232535.db2.gz IFUKXGDHSOTSQJ-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO c1cc2c(o1)CCC[N@H+](Cc1c[nH]cn1)C2 ZINC000288754293 386232542 /nfs/dbraw/zinc/23/25/42/386232542.db2.gz IFUKXGDHSOTSQJ-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO c1cc2c(o1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC000288754293 386232545 /nfs/dbraw/zinc/23/25/45/386232545.db2.gz IFUKXGDHSOTSQJ-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO c1cc2c(o1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC000288754293 386232552 /nfs/dbraw/zinc/23/25/52/386232552.db2.gz IFUKXGDHSOTSQJ-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264555336 386245691 /nfs/dbraw/zinc/24/56/91/386245691.db2.gz ZDEMSTDUAILNQT-NSHDSACASA-N 1 2 244.298 1.758 20 0 BDADLO CCCc1noc(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000336645213 386250796 /nfs/dbraw/zinc/25/07/96/386250796.db2.gz CSVLOYUZYMSWBQ-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CCCc1noc(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000336645213 386250798 /nfs/dbraw/zinc/25/07/98/386250798.db2.gz CSVLOYUZYMSWBQ-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO Cc1cncc(C[N@@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000275984927 386258250 /nfs/dbraw/zinc/25/82/50/386258250.db2.gz FHXILGKPPWDIDI-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cncc(C[N@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000275984927 386258256 /nfs/dbraw/zinc/25/82/56/386258256.db2.gz FHXILGKPPWDIDI-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ccn(C)n2)CCO1 ZINC000275979342 386258470 /nfs/dbraw/zinc/25/84/70/386258470.db2.gz DPEOLZJOQHTGOD-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ccn(C)n2)CCO1 ZINC000275979342 386258474 /nfs/dbraw/zinc/25/84/74/386258474.db2.gz DPEOLZJOQHTGOD-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC=C(F)C1 ZINC000288397181 386194529 /nfs/dbraw/zinc/19/45/29/386194529.db2.gz IYIHPSRFKXXGMF-UHFFFAOYSA-N 1 2 223.251 1.428 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000416078278 386195850 /nfs/dbraw/zinc/19/58/50/386195850.db2.gz SLNLDHZDTPKRLF-UTUOFQBUSA-N 1 2 235.331 1.776 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCC(C)CC1)[C@H](C)O ZINC000191021528 386199627 /nfs/dbraw/zinc/19/96/27/386199627.db2.gz AEVBQRRRZHHOLJ-YIYTYNFBSA-N 1 2 229.320 1.077 20 0 BDADLO CCCCN1CC(=O)N[C@H]1c1c[nH+]cn1CC ZINC000416383608 386281868 /nfs/dbraw/zinc/28/18/68/386281868.db2.gz COPMNQKAVMCSCX-GFCCVEGCSA-N 1 2 236.319 1.134 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC12CCCC2 ZINC000339165261 386282379 /nfs/dbraw/zinc/28/23/79/386282379.db2.gz NHIMYMZENHHOBG-LBPRGKRZSA-N 1 2 247.342 1.802 20 0 BDADLO CC1(C)CC(CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000340584446 386283447 /nfs/dbraw/zinc/28/34/47/386283447.db2.gz LNNFZMNLLCIFMH-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CC1(C)CC(CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000340584446 386283450 /nfs/dbraw/zinc/28/34/50/386283450.db2.gz LNNFZMNLLCIFMH-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1cncc(CCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000340585174 386284036 /nfs/dbraw/zinc/28/40/36/386284036.db2.gz QAKCEVWDANBOHP-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cncc(CCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000340585174 386284045 /nfs/dbraw/zinc/28/40/45/386284045.db2.gz QAKCEVWDANBOHP-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000336663516 386284844 /nfs/dbraw/zinc/28/48/44/386284844.db2.gz SRXWTJHIJAMOQK-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000336663516 386284847 /nfs/dbraw/zinc/28/48/47/386284847.db2.gz SRXWTJHIJAMOQK-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC1CC1 ZINC000265276773 386324385 /nfs/dbraw/zinc/32/43/85/386324385.db2.gz XCQWPQRAKUMYAD-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO Nc1cc(Cl)[nH+]c(NC2CSC2)c1 ZINC000575585894 386287476 /nfs/dbraw/zinc/28/74/76/386287476.db2.gz PCASZEDYYFQKQM-UHFFFAOYSA-N 1 2 215.709 1.845 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCOC1CCC1 ZINC000347219502 386287799 /nfs/dbraw/zinc/28/77/99/386287799.db2.gz IWJMJWKSRNWRJE-INIZCTEOSA-N 1 2 245.388 1.398 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1CCOC1CCC1 ZINC000347219502 386287802 /nfs/dbraw/zinc/28/78/02/386287802.db2.gz IWJMJWKSRNWRJE-INIZCTEOSA-N 1 2 245.388 1.398 20 0 BDADLO C[C@]1([NH2+]CCCOc2ccccc2)CCOC1=O ZINC000289407937 386298560 /nfs/dbraw/zinc/29/85/60/386298560.db2.gz ARHOBFKDNYFTTK-AWEZNQCLSA-N 1 2 249.310 1.751 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000308453081 386302069 /nfs/dbraw/zinc/30/20/69/386302069.db2.gz HLLVNBJSYQWSTI-VIFPVBQESA-N 1 2 207.264 1.733 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000308453081 386302073 /nfs/dbraw/zinc/30/20/73/386302073.db2.gz HLLVNBJSYQWSTI-VIFPVBQESA-N 1 2 207.264 1.733 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(OC)CC1 ZINC000648410446 386305784 /nfs/dbraw/zinc/30/57/84/386305784.db2.gz VTCPPEATCANQDI-SECBINFHSA-N 1 2 237.303 1.259 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000335266888 386306141 /nfs/dbraw/zinc/30/61/41/386306141.db2.gz ZFTNOZVTSIGQOG-HWPZZCPQSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000335266888 386306144 /nfs/dbraw/zinc/30/61/44/386306144.db2.gz ZFTNOZVTSIGQOG-HWPZZCPQSA-N 1 2 241.356 1.931 20 0 BDADLO CCc1cc(N)nc(SC[C@@H](O)C(C)C)[nH+]1 ZINC000298197365 386308789 /nfs/dbraw/zinc/30/87/89/386308789.db2.gz HYPURJWMXPWLMT-SECBINFHSA-N 1 2 241.360 1.730 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2CCO)o1 ZINC000336674195 386310675 /nfs/dbraw/zinc/31/06/75/386310675.db2.gz LNODFJKFJNZHPA-JTQLQIEISA-N 1 2 242.344 1.283 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2CCO)o1 ZINC000336674195 386310680 /nfs/dbraw/zinc/31/06/80/386310680.db2.gz LNODFJKFJNZHPA-JTQLQIEISA-N 1 2 242.344 1.283 20 0 BDADLO CCN(CC[NH+]1CCOCC1)CC(F)(F)F ZINC000336669251 386313015 /nfs/dbraw/zinc/31/30/15/386313015.db2.gz HZZFLQDKGDQRTP-UHFFFAOYSA-N 1 2 240.269 1.203 20 0 BDADLO Fc1ccc(C[NH+]2CCSCC2)nc1 ZINC000276379621 386314111 /nfs/dbraw/zinc/31/41/11/386314111.db2.gz QDPWCPKZUWORKK-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000647933103 386316709 /nfs/dbraw/zinc/31/67/09/386316709.db2.gz BFWAEKVRKMHUGD-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCc2nc[nH]c2C1 ZINC000647933103 386316713 /nfs/dbraw/zinc/31/67/13/386316713.db2.gz BFWAEKVRKMHUGD-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H](O)CNc1cc(NCC(C)(C)C)[nH+]cn1 ZINC000298287204 386319039 /nfs/dbraw/zinc/31/90/39/386319039.db2.gz PZEJAEDZKOZJAA-VIFPVBQESA-N 1 2 238.335 1.727 20 0 BDADLO C[C@H](O)CNc1cc(NCC(C)(C)C)nc[nH+]1 ZINC000298287204 386319046 /nfs/dbraw/zinc/31/90/46/386319046.db2.gz PZEJAEDZKOZJAA-VIFPVBQESA-N 1 2 238.335 1.727 20 0 BDADLO CCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347284510 386320151 /nfs/dbraw/zinc/32/01/51/386320151.db2.gz ACIKDEVCWASYHU-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC1 ZINC000298286464 386320202 /nfs/dbraw/zinc/32/02/02/386320202.db2.gz QLLYDXDGDXWAIP-LLVKDONJSA-N 1 2 233.315 1.097 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC1 ZINC000298286464 386320205 /nfs/dbraw/zinc/32/02/05/386320205.db2.gz QLLYDXDGDXWAIP-LLVKDONJSA-N 1 2 233.315 1.097 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cnn(C)n1 ZINC000289530593 386322092 /nfs/dbraw/zinc/32/20/92/386322092.db2.gz BSFRAMWUURACSK-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnn(C)n1 ZINC000289530593 386322099 /nfs/dbraw/zinc/32/20/99/386322099.db2.gz BSFRAMWUURACSK-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO Nc1[nH+]cnc(N(CCO)C2CCC2)c1Cl ZINC000236388964 386261709 /nfs/dbraw/zinc/26/17/09/386261709.db2.gz MKFAHPQYBKZCAQ-UHFFFAOYSA-N 1 2 242.710 1.063 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000276018698 386262747 /nfs/dbraw/zinc/26/27/47/386262747.db2.gz RSQCDQFAUYKCIB-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000276018698 386262750 /nfs/dbraw/zinc/26/27/50/386262750.db2.gz RSQCDQFAUYKCIB-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000414392278 386265883 /nfs/dbraw/zinc/26/58/83/386265883.db2.gz BKSGNAWGBHCYDV-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000414392278 386265887 /nfs/dbraw/zinc/26/58/87/386265887.db2.gz BKSGNAWGBHCYDV-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1cc(C[N@H+]2CCSC[C@@H]2C)nn1C ZINC000336651508 386265895 /nfs/dbraw/zinc/26/58/95/386265895.db2.gz VJJCXWCFEUSKPH-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cc(C[N@@H+]2CCSC[C@@H]2C)nn1C ZINC000336651508 386265896 /nfs/dbraw/zinc/26/58/96/386265896.db2.gz VJJCXWCFEUSKPH-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO CO[C@H](C)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000276038168 386266174 /nfs/dbraw/zinc/26/61/74/386266174.db2.gz NADKMQZERYVOPU-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO CO[C@H](C)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000276038168 386266180 /nfs/dbraw/zinc/26/61/80/386266180.db2.gz NADKMQZERYVOPU-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccncc2)C1 ZINC000297598699 386267229 /nfs/dbraw/zinc/26/72/29/386267229.db2.gz JSMUSHHJRCTQQL-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO CCC1(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000297647626 386270103 /nfs/dbraw/zinc/27/01/03/386270103.db2.gz IDUQYKWQJYYJMG-UHFFFAOYSA-N 1 2 222.292 1.125 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000339171950 386274820 /nfs/dbraw/zinc/27/48/20/386274820.db2.gz XTUPKNIVXZMRKJ-LBPRGKRZSA-N 1 2 249.358 1.857 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264839556 386276145 /nfs/dbraw/zinc/27/61/45/386276145.db2.gz KUWCKUVFGTXLMZ-SFYZADRCSA-N 1 2 209.293 1.883 20 0 BDADLO COCc1nc(C[N@H+](C)C[C@@H](C)OC)cs1 ZINC000336659247 386277048 /nfs/dbraw/zinc/27/70/48/386277048.db2.gz MXSYIHXDGNZJHA-SECBINFHSA-N 1 2 244.360 1.756 20 0 BDADLO COCc1nc(C[N@@H+](C)C[C@@H](C)OC)cs1 ZINC000336659247 386277049 /nfs/dbraw/zinc/27/70/49/386277049.db2.gz MXSYIHXDGNZJHA-SECBINFHSA-N 1 2 244.360 1.756 20 0 BDADLO C[C@H](C1CCC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339176744 386277620 /nfs/dbraw/zinc/27/76/20/386277620.db2.gz LBQQLDQWTMHPCQ-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000289683366 386341579 /nfs/dbraw/zinc/34/15/79/386341579.db2.gz MUVYDUJVVRVBSE-CYBMUJFWSA-N 1 2 249.314 1.010 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@]12CCOC2=O ZINC000289683366 386341585 /nfs/dbraw/zinc/34/15/85/386341585.db2.gz MUVYDUJVVRVBSE-CYBMUJFWSA-N 1 2 249.314 1.010 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1CC1 ZINC000298495271 386351291 /nfs/dbraw/zinc/35/12/91/386351291.db2.gz XKSCZPMCVRUMJJ-SECBINFHSA-N 1 2 207.277 1.188 20 0 BDADLO CCC[C@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC000298479531 386352319 /nfs/dbraw/zinc/35/23/19/386352319.db2.gz UCEXRRDSJWIDSR-VIFPVBQESA-N 1 2 233.319 1.988 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1CCCc2c[nH]nc21 ZINC000276882323 386386649 /nfs/dbraw/zinc/38/66/49/386386649.db2.gz RRVNIEKRCBGCDE-LLVKDONJSA-N 1 2 232.287 1.737 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276622224 386354722 /nfs/dbraw/zinc/35/47/22/386354722.db2.gz UDEUNCSWIDGKDG-MNOVXSKESA-N 1 2 223.320 1.824 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccncc1Cl ZINC000339286620 386355015 /nfs/dbraw/zinc/35/50/15/386355015.db2.gz XMGPLWUHPXHIBR-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccncc1Cl ZINC000339286620 386355021 /nfs/dbraw/zinc/35/50/21/386355021.db2.gz XMGPLWUHPXHIBR-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO CCOCCn1c2ccccc2[nH+]c1NCCO ZINC000298504669 386355314 /nfs/dbraw/zinc/35/53/14/386355314.db2.gz KMXURQBYRGUVGZ-UHFFFAOYSA-N 1 2 249.314 1.477 20 0 BDADLO Cc1cc(C[N@@H+]2CCSC[C@H]2CCO)no1 ZINC000336684753 386357431 /nfs/dbraw/zinc/35/74/31/386357431.db2.gz URMBGFDVHMICNS-LLVKDONJSA-N 1 2 242.344 1.283 20 0 BDADLO Cc1cc(C[N@H+]2CCSC[C@H]2CCO)no1 ZINC000336684753 386357433 /nfs/dbraw/zinc/35/74/33/386357433.db2.gz URMBGFDVHMICNS-LLVKDONJSA-N 1 2 242.344 1.283 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000276644071 386359815 /nfs/dbraw/zinc/35/98/15/386359815.db2.gz VKSQVCWFKKUGFS-ZZXKWVIFSA-N 1 2 205.261 1.434 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000289843623 386361782 /nfs/dbraw/zinc/36/17/82/386361782.db2.gz KHDFKIAUGLEWTO-ZJUUUORDSA-N 1 2 238.335 1.111 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000289851491 386365121 /nfs/dbraw/zinc/36/51/21/386365121.db2.gz PZLFLTWHECQQIY-LBPRGKRZSA-N 1 2 227.279 1.884 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000289851491 386365126 /nfs/dbraw/zinc/36/51/26/386365126.db2.gz PZLFLTWHECQQIY-LBPRGKRZSA-N 1 2 227.279 1.884 20 0 BDADLO CC[C@H](OC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265794258 386371162 /nfs/dbraw/zinc/37/11/62/386371162.db2.gz JCVOBFMXVRYDNF-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO CC(C)[N@@H+](Cc1cnn(C)n1)Cc1ccco1 ZINC000289910300 386372097 /nfs/dbraw/zinc/37/20/97/386372097.db2.gz NUYQHUMXEUFITM-UHFFFAOYSA-N 1 2 234.303 1.819 20 0 BDADLO CC(C)[N@H+](Cc1cnn(C)n1)Cc1ccco1 ZINC000289910300 386372100 /nfs/dbraw/zinc/37/21/00/386372100.db2.gz NUYQHUMXEUFITM-UHFFFAOYSA-N 1 2 234.303 1.819 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000339339475 386373839 /nfs/dbraw/zinc/37/38/39/386373839.db2.gz YOIFJBHZXXIMPS-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ncc(C)o3)C2)c1 ZINC000289934139 386374936 /nfs/dbraw/zinc/37/49/36/386374936.db2.gz PETFYKJHOZVXOP-GFCCVEGCSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ncc(C)o3)C2)c1 ZINC000289934139 386374939 /nfs/dbraw/zinc/37/49/39/386374939.db2.gz PETFYKJHOZVXOP-GFCCVEGCSA-N 1 2 246.314 1.935 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000336696879 386377797 /nfs/dbraw/zinc/37/77/97/386377797.db2.gz HMIJYOFFRLWOKL-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000336696879 386377803 /nfs/dbraw/zinc/37/78/03/386377803.db2.gz HMIJYOFFRLWOKL-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000265857562 386380059 /nfs/dbraw/zinc/38/00/59/386380059.db2.gz JJXROKIOQKBMSQ-CQSZACIVSA-N 1 2 245.326 1.931 20 0 BDADLO Cc1cc(N2CN(C)C(=O)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000645397221 386382571 /nfs/dbraw/zinc/38/25/71/386382571.db2.gz OFRBLIQFTGDSGH-SECBINFHSA-N 1 2 246.314 1.287 20 0 BDADLO COC[C@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000336775417 386384105 /nfs/dbraw/zinc/38/41/05/386384105.db2.gz YYNGSRIAVMBOLL-QWRGUYRKSA-N 1 2 227.304 1.120 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+]Cc2cn[nH]c2C)o1 ZINC000265939084 386385287 /nfs/dbraw/zinc/38/52/87/386385287.db2.gz FNKQHRLEWHUMKC-NSHDSACASA-N 1 2 235.287 1.443 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](CCO)c1ccco1 ZINC000289558708 386326687 /nfs/dbraw/zinc/32/66/87/386326687.db2.gz QTGHEASUXOMYRN-SNVBAGLBSA-N 1 2 235.287 1.524 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](CCO)c1ccco1 ZINC000289558708 386326691 /nfs/dbraw/zinc/32/66/91/386326691.db2.gz QTGHEASUXOMYRN-SNVBAGLBSA-N 1 2 235.287 1.524 20 0 BDADLO CN(CCCCO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000276475219 386329473 /nfs/dbraw/zinc/32/94/73/386329473.db2.gz PUXHFXRQDISDGD-UHFFFAOYSA-N 1 2 247.298 1.179 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1nnnn1C1CC1 ZINC000347338156 386336120 /nfs/dbraw/zinc/33/61/20/386336120.db2.gz LTQYRDXNKQJLTB-SECBINFHSA-N 1 2 239.323 1.037 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1nnnn1C1CC1 ZINC000347338156 386336125 /nfs/dbraw/zinc/33/61/25/386336125.db2.gz LTQYRDXNKQJLTB-SECBINFHSA-N 1 2 239.323 1.037 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000336712196 386437601 /nfs/dbraw/zinc/43/76/01/386437601.db2.gz OBDAYFWZHPKPRB-BDAKNGLRSA-N 1 2 243.307 1.244 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000336712196 386437604 /nfs/dbraw/zinc/43/76/04/386437604.db2.gz OBDAYFWZHPKPRB-BDAKNGLRSA-N 1 2 243.307 1.244 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000347529092 386441447 /nfs/dbraw/zinc/44/14/47/386441447.db2.gz SVCFKCIRAZUHNT-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC000347529092 386441454 /nfs/dbraw/zinc/44/14/54/386441454.db2.gz SVCFKCIRAZUHNT-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000299365382 386444588 /nfs/dbraw/zinc/44/45/88/386444588.db2.gz JUGJYYAXUWVXOH-JTQLQIEISA-N 1 2 224.304 1.751 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000299365382 386444592 /nfs/dbraw/zinc/44/45/92/386444592.db2.gz JUGJYYAXUWVXOH-JTQLQIEISA-N 1 2 224.304 1.751 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000237552385 386390681 /nfs/dbraw/zinc/39/06/81/386390681.db2.gz DNELEEUUUQHPRU-CYBMUJFWSA-N 1 2 249.289 1.680 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000347355096 386391343 /nfs/dbraw/zinc/39/13/43/386391343.db2.gz QDLLEMXJYRAURX-LBPRGKRZSA-N 1 2 239.294 1.679 20 0 BDADLO Cn1ncc(C[N@H+](C)Cc2ccccc2)n1 ZINC000290100624 386393638 /nfs/dbraw/zinc/39/36/38/386393638.db2.gz WUUVNPLORSTDIA-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1ncc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000290100624 386393642 /nfs/dbraw/zinc/39/36/42/386393642.db2.gz WUUVNPLORSTDIA-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccc(N)n1)c1cccnc1 ZINC000647970550 386399083 /nfs/dbraw/zinc/39/90/83/386399083.db2.gz WSZRZGBZAUCKOJ-NXEZZACHSA-N 1 2 243.314 1.696 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000290171456 386400773 /nfs/dbraw/zinc/40/07/73/386400773.db2.gz OWFVXYLXQNVUMF-NXEZZACHSA-N 1 2 237.303 1.935 20 0 BDADLO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nn2)C(C)(C)O1 ZINC000336732721 386404347 /nfs/dbraw/zinc/40/43/47/386404347.db2.gz GAVRAEMKGJBFHM-SECBINFHSA-N 1 2 224.308 1.240 20 0 BDADLO CC1(C)C[C@@H]([NH2+]Cc2cn[nH]n2)C(C)(C)O1 ZINC000336732721 386404351 /nfs/dbraw/zinc/40/43/51/386404351.db2.gz GAVRAEMKGJBFHM-SECBINFHSA-N 1 2 224.308 1.240 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1cnns1 ZINC000290188082 386404634 /nfs/dbraw/zinc/40/46/34/386404634.db2.gz ZTNXNXQVGBEMDX-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1cnns1 ZINC000290188082 386404637 /nfs/dbraw/zinc/40/46/37/386404637.db2.gz ZTNXNXQVGBEMDX-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cnc(C)cn1 ZINC000336701530 386404939 /nfs/dbraw/zinc/40/49/39/386404939.db2.gz LPVGECLZVLAHQN-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cnc(C)cn1 ZINC000336701530 386404942 /nfs/dbraw/zinc/40/49/42/386404942.db2.gz LPVGECLZVLAHQN-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)[C@H]1CCCOC1 ZINC000336707222 386411850 /nfs/dbraw/zinc/41/18/50/386411850.db2.gz OLYOZWBVGYYNOG-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1CCCOC1 ZINC000336707222 386411854 /nfs/dbraw/zinc/41/18/54/386411854.db2.gz OLYOZWBVGYYNOG-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C)c(C)o1 ZINC000299126484 386417924 /nfs/dbraw/zinc/41/79/24/386417924.db2.gz JLEVOVKXSMEYOZ-UHFFFAOYSA-N 1 2 212.293 1.760 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C)c(C)o1 ZINC000299126484 386417927 /nfs/dbraw/zinc/41/79/27/386417927.db2.gz JLEVOVKXSMEYOZ-UHFFFAOYSA-N 1 2 212.293 1.760 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccoc2C)C1 ZINC000414428905 386419871 /nfs/dbraw/zinc/41/98/71/386419871.db2.gz KRGFJTXHEMZFDI-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)nn1 ZINC000414429594 386423343 /nfs/dbraw/zinc/42/33/43/386423343.db2.gz LOEWMTGAHVNWJO-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)nn1 ZINC000414429594 386423347 /nfs/dbraw/zinc/42/33/47/386423347.db2.gz LOEWMTGAHVNWJO-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO c1nc(N2CCCC2)cc(NC[C@H]2CCOC2)[nH+]1 ZINC000277319663 386426804 /nfs/dbraw/zinc/42/68/04/386426804.db2.gz DJCRILIEXYINSO-LLVKDONJSA-N 1 2 248.330 1.525 20 0 BDADLO c1nc(NC[C@H]2CCOC2)cc(N2CCCC2)[nH+]1 ZINC000277319663 386426810 /nfs/dbraw/zinc/42/68/10/386426810.db2.gz DJCRILIEXYINSO-LLVKDONJSA-N 1 2 248.330 1.525 20 0 BDADLO CON(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000277339006 386426947 /nfs/dbraw/zinc/42/69/47/386426947.db2.gz XBRAAYLRMFITJF-UHFFFAOYSA-N 1 2 234.259 1.037 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nc(C)no2)sn1 ZINC000639097453 386431172 /nfs/dbraw/zinc/43/11/72/386431172.db2.gz LHWLCXLCOZSUIU-ZETCQYMHSA-N 1 2 238.316 1.994 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000290428557 386433365 /nfs/dbraw/zinc/43/33/65/386433365.db2.gz MYBFKKKMVIDKRP-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000290428557 386433370 /nfs/dbraw/zinc/43/33/70/386433370.db2.gz MYBFKKKMVIDKRP-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000290428557 386433375 /nfs/dbraw/zinc/43/33/75/386433375.db2.gz MYBFKKKMVIDKRP-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000290428557 386433381 /nfs/dbraw/zinc/43/33/81/386433381.db2.gz MYBFKKKMVIDKRP-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO CCc1ccccc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000277800673 386468334 /nfs/dbraw/zinc/46/83/34/386468334.db2.gz UAJQOOXSKDOXRQ-UHFFFAOYSA-N 1 2 246.354 1.566 20 0 BDADLO CCc1ccccc1CC[N@H+]1CCN(C)C(=O)C1 ZINC000277800673 386468339 /nfs/dbraw/zinc/46/83/39/386468339.db2.gz UAJQOOXSKDOXRQ-UHFFFAOYSA-N 1 2 246.354 1.566 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CC(C)(O)C2)o1 ZINC000639254400 386469695 /nfs/dbraw/zinc/46/96/95/386469695.db2.gz RSQHQUAYSGQTAO-ONGXEEELSA-N 1 2 221.300 1.970 20 0 BDADLO CCc1ncc(C[NH2+]Cc2snnc2C)o1 ZINC000639254573 386470058 /nfs/dbraw/zinc/47/00/58/386470058.db2.gz WTVUUKMYHNTEGH-UHFFFAOYSA-N 1 2 238.316 1.687 20 0 BDADLO CN(Cc1ccncc1)C(=O)CCn1cc[nH+]c1 ZINC000299588586 386470095 /nfs/dbraw/zinc/47/00/95/386470095.db2.gz KNGNRPAHWRIIPU-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000266791914 386470762 /nfs/dbraw/zinc/47/07/62/386470762.db2.gz CKUZKQAYYRFKGF-IAZYJMLFSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C1CC1 ZINC000299621735 386473152 /nfs/dbraw/zinc/47/31/52/386473152.db2.gz MRNQNGZUCMCXDT-VIFPVBQESA-N 1 2 222.292 1.075 20 0 BDADLO CC[C@@H](C(=O)Nc1nc(C)n[nH]1)[NH+](CC)CC ZINC000266847557 386473250 /nfs/dbraw/zinc/47/32/50/386473250.db2.gz QHPMLCFDYVFTJY-VIFPVBQESA-N 1 2 239.323 1.172 20 0 BDADLO COCc1noc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339579272 386473687 /nfs/dbraw/zinc/47/36/87/386473687.db2.gz BJKPNVTVRVFMNY-JGVFFNPUSA-N 1 2 211.265 1.056 20 0 BDADLO COCc1noc(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339579272 386473695 /nfs/dbraw/zinc/47/36/95/386473695.db2.gz BJKPNVTVRVFMNY-JGVFFNPUSA-N 1 2 211.265 1.056 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CC=CCC1 ZINC000299641438 386475824 /nfs/dbraw/zinc/47/58/24/386475824.db2.gz IQZRHHPSCNYCGL-LBPRGKRZSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1noc(C)c1CNC(=O)CCn1cc[nH+]c1 ZINC000299642991 386475893 /nfs/dbraw/zinc/47/58/93/386475893.db2.gz JASXTYPXLVTUQY-UHFFFAOYSA-N 1 2 248.286 1.194 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290858619 386480136 /nfs/dbraw/zinc/48/01/36/386480136.db2.gz BIBVLBYIZDCIFC-JTQLQIEISA-N 1 2 221.304 1.517 20 0 BDADLO Cc1cnc(CC[N@@H+]2CCNC(=O)[C@@H]2C)c(C)c1 ZINC000335430751 386486962 /nfs/dbraw/zinc/48/69/62/386486962.db2.gz UBVDZSILMGPWBY-LBPRGKRZSA-N 1 2 247.342 1.061 20 0 BDADLO Cc1cnc(CC[N@H+]2CCNC(=O)[C@@H]2C)c(C)c1 ZINC000335430751 386486966 /nfs/dbraw/zinc/48/69/66/386486966.db2.gz UBVDZSILMGPWBY-LBPRGKRZSA-N 1 2 247.342 1.061 20 0 BDADLO COC1(CC(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000290941168 386490363 /nfs/dbraw/zinc/49/03/63/386490363.db2.gz ONDUHQZXBQNPTE-UHFFFAOYSA-N 1 2 249.314 1.185 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cn1 ZINC000278165141 386494373 /nfs/dbraw/zinc/49/43/73/386494373.db2.gz PMTRLSJUFNKAHZ-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccc(C(F)(F)F)cn1 ZINC000278165141 386494377 /nfs/dbraw/zinc/49/43/77/386494377.db2.gz PMTRLSJUFNKAHZ-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO CC(C)[C@H]1OCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000278197076 386499424 /nfs/dbraw/zinc/49/94/24/386499424.db2.gz UEEKZLZQHAKDKT-GXSJLCMTSA-N 1 2 237.303 1.087 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1=COCCC1 ZINC000267157359 386499684 /nfs/dbraw/zinc/49/96/84/386499684.db2.gz FVOBCLGPHOYOEX-UHFFFAOYSA-N 1 2 221.260 1.029 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000267172375 386503632 /nfs/dbraw/zinc/50/36/32/386503632.db2.gz UYALMMGJKNIQHP-VIFPVBQESA-N 1 2 221.304 1.425 20 0 BDADLO FC(F)(F)c1ccc(C[NH+]2CCOCC2)nc1 ZINC000278237791 386504140 /nfs/dbraw/zinc/50/41/40/386504140.db2.gz VYDIOPUDBKYCOD-UHFFFAOYSA-N 1 2 246.232 1.933 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1nnn(C)n1)c1ccccc1 ZINC000336783778 386507330 /nfs/dbraw/zinc/50/73/30/386507330.db2.gz FJJRJRYWDCACLL-NSHDSACASA-N 1 2 245.330 1.446 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1nnn(C)n1)c1ccccc1 ZINC000336783778 386507334 /nfs/dbraw/zinc/50/73/34/386507334.db2.gz FJJRJRYWDCACLL-NSHDSACASA-N 1 2 245.330 1.446 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366679366 386510920 /nfs/dbraw/zinc/51/09/20/386510920.db2.gz NFNDMUSMKOWDLQ-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366679366 386510928 /nfs/dbraw/zinc/51/09/28/386510928.db2.gz NFNDMUSMKOWDLQ-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000278455763 386530040 /nfs/dbraw/zinc/53/00/40/386530040.db2.gz OAGWHGHBIHEXNZ-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000278455763 386530048 /nfs/dbraw/zinc/53/00/48/386530048.db2.gz OAGWHGHBIHEXNZ-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339678568 386514272 /nfs/dbraw/zinc/51/42/72/386514272.db2.gz HWQRFAMVDTYBOE-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000335447204 386514405 /nfs/dbraw/zinc/51/44/05/386514405.db2.gz ABZQENZPWNNTMM-QWRGUYRKSA-N 1 2 222.336 1.277 20 0 BDADLO CC1(C)C(C(=O)NCCc2[nH]cc[nH+]2)C1(C)C ZINC000135483329 386516001 /nfs/dbraw/zinc/51/60/01/386516001.db2.gz CVSQTRRKUJMPMZ-UHFFFAOYSA-N 1 2 235.331 1.751 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)[nH]n1 ZINC000519642757 386517417 /nfs/dbraw/zinc/51/74/17/386517417.db2.gz KZGVQEDWRZFKPC-UHFFFAOYSA-N 1 2 247.302 1.415 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061577709 386518681 /nfs/dbraw/zinc/51/86/81/386518681.db2.gz CDDFEIJIXUFTMU-JGVFFNPUSA-N 1 2 203.307 1.033 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000335449822 386518880 /nfs/dbraw/zinc/51/88/80/386518880.db2.gz QLSYVFGPMZEUGR-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000335449822 386518884 /nfs/dbraw/zinc/51/88/84/386518884.db2.gz QLSYVFGPMZEUGR-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000335449822 386518887 /nfs/dbraw/zinc/51/88/87/386518887.db2.gz QLSYVFGPMZEUGR-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000335449822 386518892 /nfs/dbraw/zinc/51/88/92/386518892.db2.gz QLSYVFGPMZEUGR-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1ccco1 ZINC000291189838 386521281 /nfs/dbraw/zinc/52/12/81/386521281.db2.gz GMAPATLNXNFTKP-NSHDSACASA-N 1 2 225.288 1.517 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1ccco1 ZINC000291189838 386521284 /nfs/dbraw/zinc/52/12/84/386521284.db2.gz GMAPATLNXNFTKP-NSHDSACASA-N 1 2 225.288 1.517 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000227080915 386457603 /nfs/dbraw/zinc/45/76/03/386457603.db2.gz FDWYSLAHYGGXNV-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000227080915 386457612 /nfs/dbraw/zinc/45/76/12/386457612.db2.gz FDWYSLAHYGGXNV-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000299511201 386461060 /nfs/dbraw/zinc/46/10/60/386461060.db2.gz TZBQUCNMIKTJDH-GZMMTYOYSA-N 1 2 236.271 1.454 20 0 BDADLO CC[C@@H](C)CONC(=O)NCCn1cc[nH+]c1 ZINC000291722287 386574397 /nfs/dbraw/zinc/57/43/97/386574397.db2.gz QUUHLLFCTUGRPI-SNVBAGLBSA-N 1 2 240.307 1.160 20 0 BDADLO COC(C)(C)c1noc(CCn2cc[nH+]c2)n1 ZINC000267855338 386592928 /nfs/dbraw/zinc/59/29/28/386592928.db2.gz FZYSMHAAQMHWHY-UHFFFAOYSA-N 1 2 236.275 1.390 20 0 BDADLO CC[N@H+](CC(=O)NCC(C)C)Cc1ccncc1 ZINC000267890298 386595451 /nfs/dbraw/zinc/59/54/51/386595451.db2.gz IMNRJYAOGOTPSS-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO CC[N@@H+](CC(=O)NCC(C)C)Cc1ccncc1 ZINC000267890298 386595457 /nfs/dbraw/zinc/59/54/57/386595457.db2.gz IMNRJYAOGOTPSS-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1nnc(C2CC2)o1 ZINC000278458260 386530691 /nfs/dbraw/zinc/53/06/91/386530691.db2.gz SLHICFODFGCLBS-UHFFFAOYSA-N 1 2 247.302 1.670 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](C)O ZINC000336755297 386535668 /nfs/dbraw/zinc/53/56/68/386535668.db2.gz GGSSENYQSKHXOF-GMTAPVOTSA-N 1 2 231.336 1.181 20 0 BDADLO C[N@H+](CCO)Cc1nc(C(F)(F)F)cs1 ZINC000267384826 386536100 /nfs/dbraw/zinc/53/61/00/386536100.db2.gz VMWIORUOBDALKT-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO C[N@@H+](CCO)Cc1nc(C(F)(F)F)cs1 ZINC000267384826 386536108 /nfs/dbraw/zinc/53/61/08/386536108.db2.gz VMWIORUOBDALKT-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000061708342 386545429 /nfs/dbraw/zinc/54/54/29/386545429.db2.gz UGHQBDJAXWDQGS-JTQLQIEISA-N 1 2 226.345 1.833 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](O)C2)cs1 ZINC000061708342 386545434 /nfs/dbraw/zinc/54/54/34/386545434.db2.gz UGHQBDJAXWDQGS-JTQLQIEISA-N 1 2 226.345 1.833 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000519757265 386546927 /nfs/dbraw/zinc/54/69/27/386546927.db2.gz IEXDBRBZXNRGGZ-MGCOHNPYSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](F)C2)cn1 ZINC000335467204 386555808 /nfs/dbraw/zinc/55/58/08/386555808.db2.gz CGDRMFQUNAFDMP-ZJUUUORDSA-N 1 2 209.268 1.890 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](F)C2)cn1 ZINC000335467204 386555812 /nfs/dbraw/zinc/55/58/12/386555812.db2.gz CGDRMFQUNAFDMP-ZJUUUORDSA-N 1 2 209.268 1.890 20 0 BDADLO COCc1ccc(CNc2ccc(CO)c[nH+]2)o1 ZINC000291508837 386555801 /nfs/dbraw/zinc/55/58/01/386555801.db2.gz ICIGUKCZXZSFDH-UHFFFAOYSA-N 1 2 248.282 1.925 20 0 BDADLO CO[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000267576034 386556542 /nfs/dbraw/zinc/55/65/42/386556542.db2.gz AXKMTOMPOXLGTA-NSHDSACASA-N 1 2 233.315 1.888 20 0 BDADLO CC[C@@H](CNc1nc(N)c2ccccc2[nH+]1)OC ZINC000519796311 386557367 /nfs/dbraw/zinc/55/73/67/386557367.db2.gz KRIFOHKWMKXSPS-VIFPVBQESA-N 1 2 246.314 1.301 20 0 BDADLO Cc1nc(C)c(NC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000267631588 386564871 /nfs/dbraw/zinc/56/48/71/386564871.db2.gz FWWPSJTZEKURSD-VIFPVBQESA-N 1 2 239.344 1.793 20 0 BDADLO Cc1nc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000267631588 386564874 /nfs/dbraw/zinc/56/48/74/386564874.db2.gz FWWPSJTZEKURSD-VIFPVBQESA-N 1 2 239.344 1.793 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1sccc1Cl ZINC000278678990 386568064 /nfs/dbraw/zinc/56/80/64/386568064.db2.gz NTANZROUFGJKHY-UHFFFAOYSA-N 1 2 232.736 1.709 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1sccc1Cl ZINC000278678990 386568071 /nfs/dbraw/zinc/56/80/71/386568071.db2.gz NTANZROUFGJKHY-UHFFFAOYSA-N 1 2 232.736 1.709 20 0 BDADLO CC[C@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000291688916 386568303 /nfs/dbraw/zinc/56/83/03/386568303.db2.gz NXNNHCOESUOUJH-JTQLQIEISA-N 1 2 222.292 1.077 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335408564 386568872 /nfs/dbraw/zinc/56/88/72/386568872.db2.gz NJPSKBJWMURTEC-SCZZXKLOSA-N 1 2 230.333 1.118 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335408564 386568875 /nfs/dbraw/zinc/56/88/75/386568875.db2.gz NJPSKBJWMURTEC-SCZZXKLOSA-N 1 2 230.333 1.118 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn[nH]c1C)[C@H]1CCCO1 ZINC000278710785 386570083 /nfs/dbraw/zinc/57/00/83/386570083.db2.gz RTHJGSGLBHAGPC-VXGBXAGGSA-N 1 2 239.319 1.002 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccon1 ZINC000336757197 386598069 /nfs/dbraw/zinc/59/80/69/386598069.db2.gz JWGMULUJZZAJJE-MRVPVSSYSA-N 1 2 206.249 1.557 20 0 BDADLO C[C@@H](O)CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000279025904 386621646 /nfs/dbraw/zinc/62/16/46/386621646.db2.gz BAKNRFJQQMWMET-SNVBAGLBSA-N 1 2 247.298 1.225 20 0 BDADLO Cc1occc1C[N@H+](C1CC1)C1COC1 ZINC000414463799 386622786 /nfs/dbraw/zinc/62/27/86/386622786.db2.gz WPZFESDGJNNDCM-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1occc1C[N@@H+](C1CC1)C1COC1 ZINC000414463799 386622788 /nfs/dbraw/zinc/62/27/88/386622788.db2.gz WPZFESDGJNNDCM-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000292138503 386625318 /nfs/dbraw/zinc/62/53/18/386625318.db2.gz HSVPBNUTYLSDGU-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000292138503 386625322 /nfs/dbraw/zinc/62/53/22/386625322.db2.gz HSVPBNUTYLSDGU-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO FC[C@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000414466391 386628273 /nfs/dbraw/zinc/62/82/73/386628273.db2.gz BMLNIFQPJPKQLH-FYDYADQUSA-N 1 2 236.290 1.765 20 0 BDADLO FC[C@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000414466391 386628281 /nfs/dbraw/zinc/62/82/81/386628281.db2.gz BMLNIFQPJPKQLH-FYDYADQUSA-N 1 2 236.290 1.765 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC000336758577 386628807 /nfs/dbraw/zinc/62/88/07/386628807.db2.gz IHNMRCKLKVHXNH-GMSGAONNSA-N 1 2 225.292 1.454 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCCC(C)(C)C)CCOC1 ZINC000337170147 386629480 /nfs/dbraw/zinc/62/94/80/386629480.db2.gz CPWNPBSSNQSYCV-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO FC[C@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000414466390 386629805 /nfs/dbraw/zinc/62/98/05/386629805.db2.gz BMLNIFQPJPKQLH-AORQRIRUSA-N 1 2 236.290 1.765 20 0 BDADLO FC[C@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000414466390 386629810 /nfs/dbraw/zinc/62/98/10/386629810.db2.gz BMLNIFQPJPKQLH-AORQRIRUSA-N 1 2 236.290 1.765 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000279108957 386632556 /nfs/dbraw/zinc/63/25/56/386632556.db2.gz BRWDWPMMKVWINQ-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279111463 386634907 /nfs/dbraw/zinc/63/49/07/386634907.db2.gz BZGUJWDGCRCKIY-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000328930589 386655921 /nfs/dbraw/zinc/65/59/21/386655921.db2.gz HNSXDWJOBBORCR-ZDCRXTMVSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000328930589 386655926 /nfs/dbraw/zinc/65/59/26/386655926.db2.gz HNSXDWJOBBORCR-ZDCRXTMVSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000328930589 386655932 /nfs/dbraw/zinc/65/59/32/386655932.db2.gz HNSXDWJOBBORCR-ZDCRXTMVSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000328930589 386655934 /nfs/dbraw/zinc/65/59/34/386655934.db2.gz HNSXDWJOBBORCR-ZDCRXTMVSA-N 1 2 236.319 1.223 20 0 BDADLO O=C(c1cncc(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000268267812 386636510 /nfs/dbraw/zinc/63/65/10/386636510.db2.gz MJDJHNPRELWRRY-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO Cc1cc[nH+]c(N(C)Cc2nc[nH]n2)c1 ZINC000268289567 386638858 /nfs/dbraw/zinc/63/88/58/386638858.db2.gz DEXPCBUPGORISH-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1cc[nH+]c(N(C)Cc2nnc[nH]2)c1 ZINC000268289567 386638861 /nfs/dbraw/zinc/63/88/61/386638861.db2.gz DEXPCBUPGORISH-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328875646 386641360 /nfs/dbraw/zinc/64/13/60/386641360.db2.gz SFJIXSNVZCWXTM-GFCCVEGCSA-N 1 2 249.314 1.295 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328875646 386641364 /nfs/dbraw/zinc/64/13/64/386641364.db2.gz SFJIXSNVZCWXTM-GFCCVEGCSA-N 1 2 249.314 1.295 20 0 BDADLO CC(C)n1cnnc1CN(C)CCn1cc[nH+]c1 ZINC000292281960 386644437 /nfs/dbraw/zinc/64/44/37/386644437.db2.gz BTRRDDGIMZLBSU-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC000450726607 386644682 /nfs/dbraw/zinc/64/46/82/386644682.db2.gz VHVWBUFYDOLJPR-MNOVXSKESA-N 1 2 246.358 1.344 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000450726607 386644686 /nfs/dbraw/zinc/64/46/86/386644686.db2.gz VHVWBUFYDOLJPR-MNOVXSKESA-N 1 2 246.358 1.344 20 0 BDADLO CCCCNC(=O)NCc1c[nH+]ccc1OC ZINC000292308995 386646911 /nfs/dbraw/zinc/64/69/11/386646911.db2.gz LBGYPSFHYJGGRB-UHFFFAOYSA-N 1 2 237.303 1.690 20 0 BDADLO CC(C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268386373 386647803 /nfs/dbraw/zinc/64/78/03/386647803.db2.gz OVEMHBIFUFBBAF-NEPJUHHUSA-N 1 2 235.331 1.949 20 0 BDADLO COC(=O)[C@]1([NH2+]C[C@@H](C)CC(C)C)CCOC1 ZINC000337198664 386648530 /nfs/dbraw/zinc/64/85/30/386648530.db2.gz ZVSNGFKNTFIDER-AAEUAGOBSA-N 1 2 243.347 1.590 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ncnn1C ZINC000336782725 386650561 /nfs/dbraw/zinc/65/05/61/386650561.db2.gz YQHDMDYFBQHGJF-ZETCQYMHSA-N 1 2 240.694 1.912 20 0 BDADLO CC[C@H](C)C[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000645355581 386652736 /nfs/dbraw/zinc/65/27/36/386652736.db2.gz MSJUZSKQMCVIIW-GXSJLCMTSA-N 1 2 223.320 1.994 20 0 BDADLO CCC1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC000278869684 386600580 /nfs/dbraw/zinc/60/05/80/386600580.db2.gz MWFXJRXPSLRNIW-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO CCC1(CNC(=O)Cc2[nH+]c[nH]c2C)CCC1 ZINC000278869684 386600584 /nfs/dbraw/zinc/60/05/84/386600584.db2.gz MWFXJRXPSLRNIW-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@]1(C)CCCO1 ZINC000267959432 386604291 /nfs/dbraw/zinc/60/42/91/386604291.db2.gz PNJAYAZPAFBWJC-CYBMUJFWSA-N 1 2 249.314 1.655 20 0 BDADLO Cc1ccc(NC(=O)C(=O)NC2CCC2)c(C)[nH+]1 ZINC000268027681 386609549 /nfs/dbraw/zinc/60/95/49/386609549.db2.gz CVAPNEYMBKSOST-UHFFFAOYSA-N 1 2 247.298 1.306 20 0 BDADLO Cc1ccc(NC(=O)CCn2ccnn2)c(C)[nH+]1 ZINC000268023762 386609944 /nfs/dbraw/zinc/60/99/44/386609944.db2.gz UXGUJUJDZZQJAP-UHFFFAOYSA-N 1 2 245.286 1.319 20 0 BDADLO FC(F)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000336645692 386615594 /nfs/dbraw/zinc/61/55/94/386615594.db2.gz BTDAMRMJPGEXMP-UHFFFAOYSA-N 1 2 201.220 1.545 20 0 BDADLO C[C@@H]1OCC[C@]1(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000278994248 386616087 /nfs/dbraw/zinc/61/60/87/386616087.db2.gz FDBHEFOPDJTIDM-ZANVPECISA-N 1 2 249.314 1.306 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCNC(=O)CC2)o1 ZINC000329142810 386618039 /nfs/dbraw/zinc/61/80/39/386618039.db2.gz LNYRVCPHQKDWFE-VIFPVBQESA-N 1 2 223.276 1.706 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCNC(=O)CC2)o1 ZINC000329142810 386618041 /nfs/dbraw/zinc/61/80/41/386618041.db2.gz LNYRVCPHQKDWFE-VIFPVBQESA-N 1 2 223.276 1.706 20 0 BDADLO [NH3+]C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC000414807345 386618290 /nfs/dbraw/zinc/61/82/90/386618290.db2.gz QXESKMIDWOPMOM-LBPRGKRZSA-N 1 2 226.270 1.792 20 0 BDADLO O=C([C@H]1CCCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329370598 386659785 /nfs/dbraw/zinc/65/97/85/386659785.db2.gz LWHRUBLANPYTIV-GHMZBOCLSA-N 1 2 249.314 1.642 20 0 BDADLO CS[C@@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000124572852 386660167 /nfs/dbraw/zinc/66/01/67/386660167.db2.gz UXERQQJURQRCQM-ZETCQYMHSA-N 1 2 226.301 1.867 20 0 BDADLO CC[C@@H](C)C[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000645356419 386660407 /nfs/dbraw/zinc/66/04/07/386660407.db2.gz XLFJHYJWVWRIOZ-ZYHUDNBSSA-N 1 2 249.358 1.985 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)nn1 ZINC000414475788 386662389 /nfs/dbraw/zinc/66/23/89/386662389.db2.gz VXIAXCPSMYHZJU-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)nn1 ZINC000414475788 386662395 /nfs/dbraw/zinc/66/23/95/386662395.db2.gz VXIAXCPSMYHZJU-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)nn1 ZINC000414475787 386662839 /nfs/dbraw/zinc/66/28/39/386662839.db2.gz VXIAXCPSMYHZJU-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)nn1 ZINC000414475787 386662846 /nfs/dbraw/zinc/66/28/46/386662846.db2.gz VXIAXCPSMYHZJU-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)Cc1[nH]c[nH+]c1C ZINC000292415965 386667988 /nfs/dbraw/zinc/66/79/88/386667988.db2.gz ZXDAIZIADAAAOK-SECBINFHSA-N 1 2 239.319 1.144 20 0 BDADLO CCN1C[C@@H](Nc2cc[nH+]c(C(C)C)n2)CC1=O ZINC000450759461 386678150 /nfs/dbraw/zinc/67/81/50/386678150.db2.gz KFRNYGZMKZVPHQ-JTQLQIEISA-N 1 2 248.330 1.055 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@H](C)OC)s1 ZINC000643420328 386680473 /nfs/dbraw/zinc/68/04/73/386680473.db2.gz LSFDYAPJLDMYAK-VIFPVBQESA-N 1 2 243.376 1.957 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@H](C)OC)s1 ZINC000643420328 386680481 /nfs/dbraw/zinc/68/04/81/386680481.db2.gz LSFDYAPJLDMYAK-VIFPVBQESA-N 1 2 243.376 1.957 20 0 BDADLO CCSCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000336648292 386681920 /nfs/dbraw/zinc/68/19/20/386681920.db2.gz FYQXYNSDUXJHNX-NOZJJQNGSA-N 1 2 221.391 1.192 20 0 BDADLO CCSCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000336648292 386681923 /nfs/dbraw/zinc/68/19/23/386681923.db2.gz FYQXYNSDUXJHNX-NOZJJQNGSA-N 1 2 221.391 1.192 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000353216194 386658044 /nfs/dbraw/zinc/65/80/44/386658044.db2.gz DJMBDIPFVREGPC-SFYZADRCSA-N 1 2 229.349 1.874 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000353216194 386658048 /nfs/dbraw/zinc/65/80/48/386658048.db2.gz DJMBDIPFVREGPC-SFYZADRCSA-N 1 2 229.349 1.874 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)C(C)(F)F ZINC000292688970 386710097 /nfs/dbraw/zinc/71/00/97/386710097.db2.gz AHTBWMYFRYFTOG-MRVPVSSYSA-N 1 2 231.246 1.291 20 0 BDADLO C[C@@H]1COCC[N@@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000639123302 386683263 /nfs/dbraw/zinc/68/32/63/386683263.db2.gz INNUPFWWNYZBJP-ZYHUDNBSSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@@H]1COCC[N@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000639123302 386683269 /nfs/dbraw/zinc/68/32/69/386683269.db2.gz INNUPFWWNYZBJP-ZYHUDNBSSA-N 1 2 235.331 1.592 20 0 BDADLO Cc1nc(C[N@H+](CCO)C2CCCCC2)no1 ZINC000050106379 386683548 /nfs/dbraw/zinc/68/35/48/386683548.db2.gz HGVKTVAYKWQGMA-UHFFFAOYSA-N 1 2 239.319 1.505 20 0 BDADLO Cc1nc(C[N@@H+](CCO)C2CCCCC2)no1 ZINC000050106379 386683551 /nfs/dbraw/zinc/68/35/51/386683551.db2.gz HGVKTVAYKWQGMA-UHFFFAOYSA-N 1 2 239.319 1.505 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000357013304 386687594 /nfs/dbraw/zinc/68/75/94/386687594.db2.gz LEDFEAOJIHACIC-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000357013304 386687599 /nfs/dbraw/zinc/68/75/99/386687599.db2.gz LEDFEAOJIHACIC-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](O)CSC)C(=O)OC ZINC000187890689 386689533 /nfs/dbraw/zinc/68/95/33/386689533.db2.gz JCGUWQVTGLDWHI-MWLCHTKSSA-N 1 2 249.376 1.032 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H](C)O1 ZINC000292547145 386690092 /nfs/dbraw/zinc/69/00/92/386690092.db2.gz QLSMIBNCUXJYLF-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H](C)O1 ZINC000292547145 386690096 /nfs/dbraw/zinc/69/00/96/386690096.db2.gz QLSMIBNCUXJYLF-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC1(C)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000279536068 386697267 /nfs/dbraw/zinc/69/72/67/386697267.db2.gz WLSKVJMYOWFUHP-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000526931637 386697839 /nfs/dbraw/zinc/69/78/39/386697839.db2.gz NPPOYJZYJJOPNE-MXWKQRLJSA-N 1 2 233.315 1.455 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000279548874 386698218 /nfs/dbraw/zinc/69/82/18/386698218.db2.gz MKQGEULNZPFDPJ-LLVKDONJSA-N 1 2 249.314 1.625 20 0 BDADLO CC(=O)[C@H]1CCCCN1Cc1[nH]cc[nH+]1 ZINC000307506015 386698256 /nfs/dbraw/zinc/69/82/56/386698256.db2.gz YAVMBTVUGHSZRS-SNVBAGLBSA-N 1 2 207.277 1.353 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H]1CCSC1 ZINC000414484903 386702950 /nfs/dbraw/zinc/70/29/50/386702950.db2.gz HJKOLGKORZTOGF-VHSXEESVSA-N 1 2 229.345 1.423 20 0 BDADLO CCn1cncc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000417974665 386732265 /nfs/dbraw/zinc/73/22/65/386732265.db2.gz VZRMOBIFPWVMIO-NSHDSACASA-N 1 2 247.346 1.830 20 0 BDADLO CCn1cncc1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000417974665 386732267 /nfs/dbraw/zinc/73/22/67/386732267.db2.gz VZRMOBIFPWVMIO-NSHDSACASA-N 1 2 247.346 1.830 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@@H](C)c1cnn(C)c1 ZINC000417974665 386732271 /nfs/dbraw/zinc/73/22/71/386732271.db2.gz VZRMOBIFPWVMIO-NSHDSACASA-N 1 2 247.346 1.830 20 0 BDADLO CC[C@H](OC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000268987239 386732571 /nfs/dbraw/zinc/73/25/71/386732571.db2.gz MKPZTWPIUPNWSS-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1ccn(C)c1 ZINC000414490256 386715085 /nfs/dbraw/zinc/71/50/85/386715085.db2.gz OETSZRHLMFDWLC-LBPRGKRZSA-N 1 2 236.315 1.456 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2cn[nH]c2)nc1 ZINC000645097583 386715108 /nfs/dbraw/zinc/71/51/08/386715108.db2.gz ASJHVGPOLOVZTB-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2cn[nH]c2)nc1 ZINC000645097583 386715111 /nfs/dbraw/zinc/71/51/11/386715111.db2.gz ASJHVGPOLOVZTB-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+](Cc3cocn3)C2)n1 ZINC000191932804 386718907 /nfs/dbraw/zinc/71/89/07/386718907.db2.gz XLRBWYDKIGNKOR-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cocn3)C2)n1 ZINC000191932804 386718913 /nfs/dbraw/zinc/71/89/13/386718913.db2.gz XLRBWYDKIGNKOR-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1ccoc1C[N@@H+](C)Cc1ccnn1C ZINC000279684012 386720008 /nfs/dbraw/zinc/72/00/08/386720008.db2.gz PASGKLHXLOPCNL-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccoc1C[N@H+](C)Cc1ccnn1C ZINC000279684012 386720016 /nfs/dbraw/zinc/72/00/16/386720016.db2.gz PASGKLHXLOPCNL-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2=CCC2)C1 ZINC000334146816 386746493 /nfs/dbraw/zinc/74/64/93/386746493.db2.gz CRBNMXSFAHJJCH-LLVKDONJSA-N 1 2 231.299 1.456 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCCc3c[nH]nc32)c[nH+]1 ZINC000269083431 386749124 /nfs/dbraw/zinc/74/91/24/386749124.db2.gz WZLMHJRAYRRVDI-SECBINFHSA-N 1 2 245.286 1.249 20 0 BDADLO COc1ncncc1C[N@H+](C)Cc1ccco1 ZINC000647999593 386750725 /nfs/dbraw/zinc/75/07/25/386750725.db2.gz QWQSYEJGHBBGIG-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ncncc1C[N@@H+](C)Cc1ccco1 ZINC000647999593 386750734 /nfs/dbraw/zinc/75/07/34/386750734.db2.gz QWQSYEJGHBBGIG-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CCOc1ncccc1C[NH2+]Cc1cocn1 ZINC000192284576 386751526 /nfs/dbraw/zinc/75/15/26/386751526.db2.gz QWKIZNULYDQKCU-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)no1 ZINC000348527278 386751767 /nfs/dbraw/zinc/75/17/67/386751767.db2.gz IEWRZMGQXODDMP-HTQZYQBOSA-N 1 2 247.245 1.628 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000329644553 386752366 /nfs/dbraw/zinc/75/23/66/386752366.db2.gz ILFDAZGTLBWENB-RISCZKNCSA-N 1 2 246.310 1.431 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2CCOCC2)n1 ZINC000329644788 386753749 /nfs/dbraw/zinc/75/37/49/386753749.db2.gz DGZWTNGZSAUGLV-UHFFFAOYSA-N 1 2 248.286 1.288 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000357319435 386759982 /nfs/dbraw/zinc/75/99/82/386759982.db2.gz UYXMCQLJEATAEU-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000357319435 386759988 /nfs/dbraw/zinc/75/99/88/386759988.db2.gz UYXMCQLJEATAEU-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO C[NH2+]Cc1noc(CO[C@H]2CCCC[C@H]2C)n1 ZINC000414507107 386792420 /nfs/dbraw/zinc/79/24/20/386792420.db2.gz XTUMEDIIPRVING-ZJUUUORDSA-N 1 2 239.319 1.884 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@]1(C)CC=CCC1 ZINC000335904526 386793971 /nfs/dbraw/zinc/79/39/71/386793971.db2.gz BENDIOSIKZORMP-CYBMUJFWSA-N 1 2 233.315 1.783 20 0 BDADLO CO[C@H]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000293276486 386795761 /nfs/dbraw/zinc/79/57/61/386795761.db2.gz COCDXOXZHCGCHC-UWVGGRQHSA-N 1 2 237.303 1.231 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1F ZINC000340782332 386771740 /nfs/dbraw/zinc/77/17/40/386771740.db2.gz NEFDQAXDBYWZMI-DTWKUNHWSA-N 1 2 225.267 1.349 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293060655 386772963 /nfs/dbraw/zinc/77/29/63/386772963.db2.gz SFCNPAMIHGYMGN-XCBNKYQSSA-N 1 2 236.319 1.305 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293060655 386772970 /nfs/dbraw/zinc/77/29/70/386772970.db2.gz SFCNPAMIHGYMGN-XCBNKYQSSA-N 1 2 236.319 1.305 20 0 BDADLO CCc1ccccc1C(=O)NCc1[nH+]ccn1C ZINC000269284574 386773872 /nfs/dbraw/zinc/77/38/72/386773872.db2.gz RHUHBRGEIKKTEM-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340879293 386796286 /nfs/dbraw/zinc/79/62/86/386796286.db2.gz UEFAPOGPBPBSEC-JTQLQIEISA-N 1 2 247.302 1.186 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340879293 386796293 /nfs/dbraw/zinc/79/62/93/386796293.db2.gz UEFAPOGPBPBSEC-JTQLQIEISA-N 1 2 247.302 1.186 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1(C(F)F)CC1 ZINC000357475809 386787845 /nfs/dbraw/zinc/78/78/45/386787845.db2.gz OFJJYCABKUMZJV-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000293455490 386818798 /nfs/dbraw/zinc/81/87/98/386818798.db2.gz CVRWCTUMBFZIIA-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cccc(Cl)n1 ZINC000293455490 386818805 /nfs/dbraw/zinc/81/88/05/386818805.db2.gz CVRWCTUMBFZIIA-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO CC(C)c1noc(CN2CCn3c[nH+]cc3C2)n1 ZINC000647939145 386804368 /nfs/dbraw/zinc/80/43/68/386804368.db2.gz COTYRWQTTHYIFY-UHFFFAOYSA-N 1 2 247.302 1.405 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000330638698 386807940 /nfs/dbraw/zinc/80/79/40/386807940.db2.gz VZXXSSWBQWRHLF-QWRGUYRKSA-N 1 2 249.314 1.035 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCn2cncc2C1 ZINC000647939151 386808091 /nfs/dbraw/zinc/80/80/91/386808091.db2.gz CSADASDDPXZYMA-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCn2cncc2C1 ZINC000647939151 386808095 /nfs/dbraw/zinc/80/80/95/386808095.db2.gz CSADASDDPXZYMA-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO c1cc2c(nc[nH+]c2N2CCCCCO2)[nH]1 ZINC000329924232 386813155 /nfs/dbraw/zinc/81/31/55/386813155.db2.gz HNTSRLKBCBNCMV-UHFFFAOYSA-N 1 2 218.260 1.880 20 0 BDADLO c1[nH]c(CN2CCO[C@H](c3ccccc3)C2)c[nH+]1 ZINC000280425779 386814409 /nfs/dbraw/zinc/81/44/09/386814409.db2.gz IYWJAKDIWXTTRL-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC1)C2 ZINC000334778317 386831753 /nfs/dbraw/zinc/83/17/53/386831753.db2.gz USPVJZFFEDTXEP-SNVBAGLBSA-N 1 2 247.342 1.870 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC1)CC2 ZINC000334778317 386831757 /nfs/dbraw/zinc/83/17/57/386831757.db2.gz USPVJZFFEDTXEP-SNVBAGLBSA-N 1 2 247.342 1.870 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000280720394 386840254 /nfs/dbraw/zinc/84/02/54/386840254.db2.gz KCUZRNVBTJIARG-ZYHUDNBSSA-N 1 2 237.299 1.213 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000280720394 386840263 /nfs/dbraw/zinc/84/02/63/386840263.db2.gz KCUZRNVBTJIARG-ZYHUDNBSSA-N 1 2 237.299 1.213 20 0 BDADLO Cc1nc(Nc2cnn(C)c2)c(C)c(C)[nH+]1 ZINC000301434919 386843795 /nfs/dbraw/zinc/84/37/95/386843795.db2.gz IYYKQLGCKTXXHR-UHFFFAOYSA-N 1 2 217.276 1.879 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNc1ncccn1 ZINC000301445397 386845355 /nfs/dbraw/zinc/84/53/55/386845355.db2.gz VJRCMKQXBWAWJX-UHFFFAOYSA-N 1 2 231.303 1.941 20 0 BDADLO C[C@@H](C1CCC1)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341147002 386845413 /nfs/dbraw/zinc/84/54/13/386845413.db2.gz RDRWUBSLWIMTGP-ZETCQYMHSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H](C1CCC1)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341147002 386845416 /nfs/dbraw/zinc/84/54/16/386845416.db2.gz RDRWUBSLWIMTGP-ZETCQYMHSA-N 1 2 210.281 1.131 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000331363039 386845528 /nfs/dbraw/zinc/84/55/28/386845528.db2.gz ABBMDRBUPDPKAH-AXTSPUMRSA-N 1 2 240.303 1.184 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000331363039 386845533 /nfs/dbraw/zinc/84/55/33/386845533.db2.gz ABBMDRBUPDPKAH-AXTSPUMRSA-N 1 2 240.303 1.184 20 0 BDADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)OC ZINC000191379584 386892548 /nfs/dbraw/zinc/89/25/48/386892548.db2.gz LLHGFMXGBGBJNG-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ccoc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000293669191 386857089 /nfs/dbraw/zinc/85/70/89/386857089.db2.gz IKCPEVMINIEJAP-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO Cc1ccoc1CNC(=O)Cc1[nH+]c[nH]c1C ZINC000293669191 386857096 /nfs/dbraw/zinc/85/70/96/386857096.db2.gz IKCPEVMINIEJAP-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000425347707 386861471 /nfs/dbraw/zinc/86/14/71/386861471.db2.gz HVGAXDYLMATOOT-SNVBAGLBSA-N 1 2 249.343 1.572 20 0 BDADLO c1csc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000425347707 386861476 /nfs/dbraw/zinc/86/14/76/386861476.db2.gz HVGAXDYLMATOOT-SNVBAGLBSA-N 1 2 249.343 1.572 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000331497919 386863954 /nfs/dbraw/zinc/86/39/54/386863954.db2.gz QIGPPTBJUGJITC-VIFPVBQESA-N 1 2 236.319 1.360 20 0 BDADLO Cc1nc(N2CC[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000301668883 386865831 /nfs/dbraw/zinc/86/58/31/386865831.db2.gz DJKKSBZABFJWSH-LLVKDONJSA-N 1 2 221.304 1.220 20 0 BDADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000335745681 386866455 /nfs/dbraw/zinc/86/64/55/386866455.db2.gz UZLGZRWIHJEILB-NSHDSACASA-N 1 2 235.331 1.702 20 0 BDADLO c1nc(C[NH2+]CCc2ccc3cn[nH]c3c2)co1 ZINC000341262732 386870977 /nfs/dbraw/zinc/87/09/77/386870977.db2.gz CXASORWAOYETQX-UHFFFAOYSA-N 1 2 242.282 1.883 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000301954842 386894516 /nfs/dbraw/zinc/89/45/16/386894516.db2.gz DTYZCBDPCIUZPV-SNVBAGLBSA-N 1 2 249.362 1.907 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2CC[C@@H](C)C2)[nH+]1 ZINC000301954842 386894519 /nfs/dbraw/zinc/89/45/19/386894519.db2.gz DTYZCBDPCIUZPV-SNVBAGLBSA-N 1 2 249.362 1.907 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331615906 386874551 /nfs/dbraw/zinc/87/45/51/386874551.db2.gz GASJBNRSPMXQIT-BDAKNGLRSA-N 1 2 221.304 1.460 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)o2)CCCO1 ZINC000331650011 386879563 /nfs/dbraw/zinc/87/95/63/386879563.db2.gz ONJDYIJGKAYEOA-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)o2)CCCO1 ZINC000331650011 386879571 /nfs/dbraw/zinc/87/95/71/386879571.db2.gz ONJDYIJGKAYEOA-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)COCC)C(=O)OC ZINC000336744914 386882845 /nfs/dbraw/zinc/88/28/45/386882845.db2.gz AAKAJPLHHJXWLW-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO CC[C@H](O)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000301901721 386889594 /nfs/dbraw/zinc/88/95/94/386889594.db2.gz NQGLJFGAMZLZBQ-VIFPVBQESA-N 1 2 246.314 1.785 20 0 BDADLO CC[C@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000293861041 386890499 /nfs/dbraw/zinc/89/04/99/386890499.db2.gz CIXBMAMTYIQDMO-FSIBCCDJSA-N 1 2 205.261 1.434 20 0 BDADLO c1cc(C[N@@H+]2CCc3ncccc3C2)on1 ZINC000367859174 386913697 /nfs/dbraw/zinc/91/36/97/386913697.db2.gz NWVFINUIKMQUNB-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO c1cc(C[N@H+]2CCc3ncccc3C2)on1 ZINC000367859174 386913704 /nfs/dbraw/zinc/91/37/04/386913704.db2.gz NWVFINUIKMQUNB-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO Cn1cc[nH+]c1CN=c1[nH]c2cc(F)ccc2o1 ZINC000358221038 386915980 /nfs/dbraw/zinc/91/59/80/386915980.db2.gz ILCXBKCQYPVZHB-UHFFFAOYSA-N 1 2 246.245 1.734 20 0 BDADLO CC(C)c1nc(N2CC[C@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000302013970 386896364 /nfs/dbraw/zinc/89/63/64/386896364.db2.gz DRYOETTXBNSBLE-MNOVXSKESA-N 1 2 235.331 1.807 20 0 BDADLO Cc1nc(N[C@@H](C)c2nc[nH]n2)c(C)c(C)[nH+]1 ZINC000302014059 386896863 /nfs/dbraw/zinc/89/68/63/386896863.db2.gz BKKHHLYHFBKCFC-QMMMGPOBSA-N 1 2 232.291 1.693 20 0 BDADLO Cc1nc(N[C@@H](C)c2nnc[nH]2)c(C)c(C)[nH+]1 ZINC000302014059 386896867 /nfs/dbraw/zinc/89/68/67/386896867.db2.gz BKKHHLYHFBKCFC-QMMMGPOBSA-N 1 2 232.291 1.693 20 0 BDADLO c1cc2nccc(CNc3cccc[nH+]3)n2n1 ZINC000302052568 386899744 /nfs/dbraw/zinc/89/97/44/386899744.db2.gz PEAPICJOQZGABR-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO COc1ncccc1NCc1[nH+]cc(C)n1C ZINC000341394804 386902290 /nfs/dbraw/zinc/90/22/90/386902290.db2.gz ODMKJYMKTGJCQZ-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[C@H]1CC[N@H+](CC2(O)CCOCC2)CC1(F)F ZINC000334852665 386902734 /nfs/dbraw/zinc/90/27/34/386902734.db2.gz XDPPKKCEHYEANG-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO C[C@H]1CC[N@@H+](CC2(O)CCOCC2)CC1(F)F ZINC000334852665 386902738 /nfs/dbraw/zinc/90/27/38/386902738.db2.gz XDPPKKCEHYEANG-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1CF ZINC000293939610 386907554 /nfs/dbraw/zinc/90/75/54/386907554.db2.gz COILZIVKTINNQC-SECBINFHSA-N 1 2 225.267 1.221 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2COc3ccc(F)cc32)nn1 ZINC000341491834 386912329 /nfs/dbraw/zinc/91/23/29/386912329.db2.gz KOAFWARFCMEJEO-LLVKDONJSA-N 1 2 248.261 1.178 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456404095 386920918 /nfs/dbraw/zinc/92/09/18/386920918.db2.gz WXUZBKYWYICFID-VPOLOUISSA-N 1 2 249.314 1.430 20 0 BDADLO Cc1co[nH]c1=NCc1c[nH+]c2cccc(C)n12 ZINC000358396005 386947349 /nfs/dbraw/zinc/94/73/49/386947349.db2.gz UTSBEKFIZUJQPB-UHFFFAOYSA-N 1 2 242.282 1.973 20 0 BDADLO CC(C)(C(=O)NCC1CCCC1)c1c[nH]c[nH+]1 ZINC000330947583 386928175 /nfs/dbraw/zinc/92/81/75/386928175.db2.gz IMEUWACWANSHSI-UHFFFAOYSA-N 1 2 235.331 1.994 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334870977 386930890 /nfs/dbraw/zinc/93/08/90/386930890.db2.gz VXBIMFAHJURHJN-GXTWGEPZSA-N 1 2 248.374 1.682 20 0 BDADLO CC(C)c1nc(N2C[C@@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000302722237 386934926 /nfs/dbraw/zinc/93/49/26/386934926.db2.gz MPADGAQZDDHVFW-MNOVXSKESA-N 1 2 235.331 1.665 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000368102028 386940852 /nfs/dbraw/zinc/94/08/52/386940852.db2.gz WKLWJLCBYHJZGN-NXEZZACHSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000368102028 386940858 /nfs/dbraw/zinc/94/08/58/386940858.db2.gz WKLWJLCBYHJZGN-NXEZZACHSA-N 1 2 237.303 1.590 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H](O)C1CCCCC1 ZINC000331075308 386953728 /nfs/dbraw/zinc/95/37/28/386953728.db2.gz VPACEFFTHPGJCG-LLVKDONJSA-N 1 2 238.335 1.178 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H](O)C1CCCCC1 ZINC000331075308 386953732 /nfs/dbraw/zinc/95/37/32/386953732.db2.gz VPACEFFTHPGJCG-LLVKDONJSA-N 1 2 238.335 1.178 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnn[nH]2)CCS1 ZINC000334823979 386954129 /nfs/dbraw/zinc/95/41/29/386954129.db2.gz WETJGGIOAQJTLZ-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000334823979 386954133 /nfs/dbraw/zinc/95/41/33/386954133.db2.gz WETJGGIOAQJTLZ-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c[nH]nn2)CCS1 ZINC000334823979 386954138 /nfs/dbraw/zinc/95/41/38/386954138.db2.gz WETJGGIOAQJTLZ-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000334823979 386954146 /nfs/dbraw/zinc/95/41/46/386954146.db2.gz WETJGGIOAQJTLZ-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)CCS1 ZINC000334823979 386954153 /nfs/dbraw/zinc/95/41/53/386954153.db2.gz WETJGGIOAQJTLZ-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)CCS1 ZINC000334823979 386954157 /nfs/dbraw/zinc/95/41/57/386954157.db2.gz WETJGGIOAQJTLZ-QMMMGPOBSA-N 1 2 212.322 1.132 20 0 BDADLO CS[C@@H](C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000358441093 386956307 /nfs/dbraw/zinc/95/63/07/386956307.db2.gz PPQGFFBNTQBFEF-QMMMGPOBSA-N 1 2 227.333 1.558 20 0 BDADLO CS[C@@H](C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000358441093 386956312 /nfs/dbraw/zinc/95/63/12/386956312.db2.gz PPQGFFBNTQBFEF-QMMMGPOBSA-N 1 2 227.333 1.558 20 0 BDADLO c1ccc2[nH+]c(N3CCO[C@H]4C[C@H]43)[nH]c2c1 ZINC000368304871 386959274 /nfs/dbraw/zinc/95/92/74/386959274.db2.gz QVZJTTRNOYXYTL-MNOVXSKESA-N 1 2 215.256 1.540 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000341754668 386961726 /nfs/dbraw/zinc/96/17/26/386961726.db2.gz BGFDFCORRUPFEQ-NWDGAFQWSA-N 1 2 242.363 1.210 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@](C)(F)C1 ZINC000334888989 386961935 /nfs/dbraw/zinc/96/19/35/386961935.db2.gz JLLJPFOWUQNAIQ-GFCCVEGCSA-N 1 2 239.294 1.313 20 0 BDADLO Cc1nnc(C[N@@H+](C[C@H](C)O)C(C)C)s1 ZINC000358511332 386968161 /nfs/dbraw/zinc/96/81/61/386968161.db2.gz QZQJGNOWJSDAFF-QMMMGPOBSA-N 1 2 229.349 1.438 20 0 BDADLO Cc1nnc(C[N@H+](C[C@H](C)O)C(C)C)s1 ZINC000358511332 386968164 /nfs/dbraw/zinc/96/81/64/386968164.db2.gz QZQJGNOWJSDAFF-QMMMGPOBSA-N 1 2 229.349 1.438 20 0 BDADLO Cc1nnc(CN2CCn3cc[nH+]c3C2)s1 ZINC000358506120 386968788 /nfs/dbraw/zinc/96/87/88/386968788.db2.gz IFYINLYGAGESBG-UHFFFAOYSA-N 1 2 235.316 1.059 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCCO2)s1 ZINC000358511374 386969389 /nfs/dbraw/zinc/96/93/89/386969389.db2.gz RJBIHUHQQGCIFM-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCCO2)s1 ZINC000358511374 386969393 /nfs/dbraw/zinc/96/93/93/386969393.db2.gz RJBIHUHQQGCIFM-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO Cc1cc(NC(=O)N2CC(CF)C2)cc[nH+]1 ZINC000334897170 386971422 /nfs/dbraw/zinc/97/14/22/386971422.db2.gz JFMPIHBSNJYYLL-UHFFFAOYSA-N 1 2 223.251 1.245 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccnc(C)n1 ZINC000352963530 386976913 /nfs/dbraw/zinc/97/69/13/386976913.db2.gz PNIVINBVIWLMSJ-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccnc(C)n1 ZINC000352963530 386976918 /nfs/dbraw/zinc/97/69/18/386976918.db2.gz PNIVINBVIWLMSJ-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO COc1cc(C[NH+]2CC(O)(C3CC3)C2)ccn1 ZINC000368470289 386977011 /nfs/dbraw/zinc/97/70/11/386977011.db2.gz LSELJGOCILVOSF-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)[nH]1 ZINC000334907608 386982813 /nfs/dbraw/zinc/98/28/13/386982813.db2.gz RMWPPIYGOZYLCN-POYBYMJQSA-N 1 2 248.252 1.886 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)[nH]1 ZINC000334907608 386982816 /nfs/dbraw/zinc/98/28/16/386982816.db2.gz RMWPPIYGOZYLCN-POYBYMJQSA-N 1 2 248.252 1.886 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCC(N)=O)[nH]1 ZINC000331176301 386985645 /nfs/dbraw/zinc/98/56/45/386985645.db2.gz JUYYFADPHMJASK-UHFFFAOYSA-N 1 2 225.296 1.285 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCC(N)=O)[nH]1 ZINC000331176301 386985650 /nfs/dbraw/zinc/98/56/50/386985650.db2.gz JUYYFADPHMJASK-UHFFFAOYSA-N 1 2 225.296 1.285 20 0 BDADLO Cc1noc(CCC[N@@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000331197981 386987942 /nfs/dbraw/zinc/98/79/42/386987942.db2.gz SYFLQCDAUIWEMI-VIFPVBQESA-N 1 2 237.303 1.222 20 0 BDADLO Cc1noc(CCC[N@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000331197981 386987949 /nfs/dbraw/zinc/98/79/49/386987949.db2.gz SYFLQCDAUIWEMI-VIFPVBQESA-N 1 2 237.303 1.222 20 0 BDADLO FC(F)OC[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000353020295 386989470 /nfs/dbraw/zinc/98/94/70/386989470.db2.gz ADFVBYLDNWIUOS-VIFPVBQESA-N 1 2 243.257 1.538 20 0 BDADLO FC(F)OC[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000353020295 386989474 /nfs/dbraw/zinc/98/94/74/386989474.db2.gz ADFVBYLDNWIUOS-VIFPVBQESA-N 1 2 243.257 1.538 20 0 BDADLO Cc1nc(N[C@@H]2CCCC2(C)C)nc(N)[nH+]1 ZINC000304445350 386990379 /nfs/dbraw/zinc/99/03/79/386990379.db2.gz IUISKYMPFLZPJC-MRVPVSSYSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC2(C)C)[nH+]1 ZINC000304445350 386990381 /nfs/dbraw/zinc/99/03/81/386990381.db2.gz IUISKYMPFLZPJC-MRVPVSSYSA-N 1 2 221.308 1.753 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1C2CCC1CC2 ZINC000514565980 386992014 /nfs/dbraw/zinc/99/20/14/386992014.db2.gz PMWMJXJMIHLNOF-UHFFFAOYSA-N 1 2 248.330 1.610 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCC[C@@H]1C(N)=O ZINC000332633260 386994863 /nfs/dbraw/zinc/99/48/63/386994863.db2.gz HODJWVYUYPNASC-SNVBAGLBSA-N 1 2 236.319 1.964 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(CC(C)(C)C)n1 ZINC000332641996 386994955 /nfs/dbraw/zinc/99/49/55/386994955.db2.gz AYBBXDVGYDDDOL-UHFFFAOYSA-N 1 2 234.303 1.983 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000332651730 386998596 /nfs/dbraw/zinc/99/85/96/386998596.db2.gz CWOFHKUDESUBNU-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000332651730 386998602 /nfs/dbraw/zinc/99/86/02/386998602.db2.gz CWOFHKUDESUBNU-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000332684124 387000267 /nfs/dbraw/zinc/00/02/67/387000267.db2.gz SYZXDIFHFGXBKP-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000332684124 387000272 /nfs/dbraw/zinc/00/02/72/387000272.db2.gz SYZXDIFHFGXBKP-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc(C)n(C)n2)CCO1 ZINC000442893039 387000300 /nfs/dbraw/zinc/00/03/00/387000300.db2.gz QWISZBAERGGJPT-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc(C)n(C)n2)CCO1 ZINC000442893039 387000304 /nfs/dbraw/zinc/00/03/04/387000304.db2.gz QWISZBAERGGJPT-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1ccnc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000352219847 387035234 /nfs/dbraw/zinc/03/52/34/387035234.db2.gz FQHOSMWKFZTWLM-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000352219847 387035240 /nfs/dbraw/zinc/03/52/40/387035240.db2.gz FQHOSMWKFZTWLM-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccn(C2CC[NH+](Cc3cnc[nH]3)CC2)n1 ZINC000369295306 387036689 /nfs/dbraw/zinc/03/66/89/387036689.db2.gz VSBRPFGJGDHNHK-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC(O)(C2CC2)C1 ZINC000369331096 387038038 /nfs/dbraw/zinc/03/80/38/387038038.db2.gz NZPKXBTYXQCJAV-UHFFFAOYSA-N 1 2 235.331 1.421 20 0 BDADLO CC[C@@H](C[C@H](C)CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000333984503 387049280 /nfs/dbraw/zinc/04/92/80/387049280.db2.gz HHFMEQFSNYACFN-WPRPVWTQSA-N 1 2 239.319 1.245 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2c2ncccn2)[nH]1 ZINC000359099344 387056000 /nfs/dbraw/zinc/05/60/00/387056000.db2.gz VMOSWKZEZQCQNL-VIFPVBQESA-N 1 2 215.260 1.541 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(C(=O)NC2CC2)CC1(C)C ZINC000333804302 387056467 /nfs/dbraw/zinc/05/64/67/387056467.db2.gz GUGVWLNBCLTXOO-SNVBAGLBSA-N 1 2 248.330 1.675 20 0 BDADLO c1coc([C@@H]2COCCN2Cc2c[nH+]c[nH]2)c1 ZINC000369774558 387067357 /nfs/dbraw/zinc/06/73/57/387067357.db2.gz UNMXGQZDKJZELO-NSHDSACASA-N 1 2 233.271 1.576 20 0 BDADLO c1coc([C@@H]2COCCN2Cc2c[nH]c[nH+]2)c1 ZINC000369774558 387067360 /nfs/dbraw/zinc/06/73/60/387067360.db2.gz UNMXGQZDKJZELO-NSHDSACASA-N 1 2 233.271 1.576 20 0 BDADLO Cc1nnc([C@H]2C[N@H+](CC(C)(C)C)CCO2)o1 ZINC000369691477 387061636 /nfs/dbraw/zinc/06/16/36/387061636.db2.gz IQWVDAGGMOUOCR-SNVBAGLBSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nnc([C@H]2C[N@@H+](CC(C)(C)C)CCO2)o1 ZINC000369691477 387061641 /nfs/dbraw/zinc/06/16/41/387061641.db2.gz IQWVDAGGMOUOCR-SNVBAGLBSA-N 1 2 239.319 1.797 20 0 BDADLO CCc1cc(N[C@@H](C)c2nncn2C)nc[nH+]1 ZINC000050419839 387067401 /nfs/dbraw/zinc/06/74/01/387067401.db2.gz OHAPEASUHCBQSD-QMMMGPOBSA-N 1 2 232.291 1.341 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCO[C@@H](CF)C1 ZINC000425372359 387012377 /nfs/dbraw/zinc/01/23/77/387012377.db2.gz SIOCYNLPHNXUJV-LBPRGKRZSA-N 1 2 241.310 1.634 20 0 BDADLO CCn1c[nH+]cc1CN1CCc2ncsc2C1 ZINC000418020971 387012979 /nfs/dbraw/zinc/01/29/79/387012979.db2.gz HOASICAFYBGPOC-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCc1ccc(C[NH+]2CC(C)(C(=O)OC)C2)cn1 ZINC000425373217 387013543 /nfs/dbraw/zinc/01/35/43/387013543.db2.gz LYNKOIHTMCXFFY-UHFFFAOYSA-N 1 2 248.326 1.639 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2cccnc2)C1 ZINC000425375741 387014300 /nfs/dbraw/zinc/01/43/00/387014300.db2.gz UKHKAMSZYDNJMG-UHFFFAOYSA-N 1 2 220.272 1.077 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc(C)nn2C)CCO1 ZINC000334939998 387017541 /nfs/dbraw/zinc/01/75/41/387017541.db2.gz IUQNKCQXOMYVFW-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc(C)nn2C)CCO1 ZINC000334939998 387017543 /nfs/dbraw/zinc/01/75/43/387017543.db2.gz IUQNKCQXOMYVFW-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO Cn1c[nH+]cc1CSc1nc2cncnc2[nH]1 ZINC000358838629 387020145 /nfs/dbraw/zinc/02/01/45/387020145.db2.gz FKLGLQOLIHPIHI-UHFFFAOYSA-N 1 2 246.299 1.379 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)C1CC1 ZINC000358846357 387022391 /nfs/dbraw/zinc/02/23/91/387022391.db2.gz HLPQKPNSEZQVDI-GHMZBOCLSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@@H](CC(=O)Nc1cn[nH]c1)n1cc[nH+]c1 ZINC000519163118 387026042 /nfs/dbraw/zinc/02/60/42/387026042.db2.gz QGKWQXDFYYQJOH-QMMMGPOBSA-N 1 2 219.248 1.196 20 0 BDADLO CC(C)Cn1nccc1C[NH2+]Cc1ccno1 ZINC000648023607 387028224 /nfs/dbraw/zinc/02/82/24/387028224.db2.gz UAKONQCBHXNHGX-UHFFFAOYSA-N 1 2 234.303 1.817 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)o1 ZINC000333328614 387028479 /nfs/dbraw/zinc/02/84/79/387028479.db2.gz CEXGNIUJPOXHTR-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H](n3ccnn3)C2)o1 ZINC000333328614 387028483 /nfs/dbraw/zinc/02/84/83/387028483.db2.gz CEXGNIUJPOXHTR-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333328612 387028940 /nfs/dbraw/zinc/02/89/40/387028940.db2.gz CEXGNIUJPOXHTR-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC000333328612 387028943 /nfs/dbraw/zinc/02/89/43/387028943.db2.gz CEXGNIUJPOXHTR-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@](C)(F)C2)[nH]1 ZINC000359222749 387069246 /nfs/dbraw/zinc/06/92/46/387069246.db2.gz IJIUGDWDLDENEH-LBPRGKRZSA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@](C)(F)C2)[nH]1 ZINC000359222749 387069249 /nfs/dbraw/zinc/06/92/49/387069249.db2.gz IJIUGDWDLDENEH-LBPRGKRZSA-N 1 2 240.278 1.735 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000334981927 387070124 /nfs/dbraw/zinc/07/01/24/387070124.db2.gz UOAGKYYSCSYYGJ-CMPLNLGQSA-N 1 2 249.314 1.189 20 0 BDADLO COC(=O)[C@@H]([NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000425966736 387075077 /nfs/dbraw/zinc/07/50/77/387075077.db2.gz MCHAUCSWERFILB-ZRMMWKCHSA-N 1 2 246.310 1.636 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nn(C)cc2Cl)[C@H]1CO ZINC000334991441 387080970 /nfs/dbraw/zinc/08/09/70/387080970.db2.gz ZXVHYOIRVWOGBI-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nn(C)cc2Cl)[C@H]1CO ZINC000334991441 387080974 /nfs/dbraw/zinc/08/09/74/387080974.db2.gz ZXVHYOIRVWOGBI-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO CCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370601214 387130672 /nfs/dbraw/zinc/13/06/72/387130672.db2.gz GIRCNZVCEBGZDQ-SECBINFHSA-N 1 2 221.304 1.746 20 0 BDADLO CCCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000370601214 387130676 /nfs/dbraw/zinc/13/06/76/387130676.db2.gz GIRCNZVCEBGZDQ-SECBINFHSA-N 1 2 221.304 1.746 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCC(C)(C)C)C1 ZINC000418068817 387083444 /nfs/dbraw/zinc/08/34/44/387083444.db2.gz DOICSDILLCNPHV-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC12CCOCC2 ZINC000370080356 387086459 /nfs/dbraw/zinc/08/64/59/387086459.db2.gz FNUDEUZZKUPASW-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC12CCOCC2 ZINC000370080356 387086464 /nfs/dbraw/zinc/08/64/64/387086464.db2.gz FNUDEUZZKUPASW-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1cc(C[N@@H+](C(C)C)C2COC2)n(C)n1 ZINC000418076453 387086754 /nfs/dbraw/zinc/08/67/54/387086754.db2.gz JIIGZTWHKLAIHC-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+](C(C)C)C2COC2)n(C)n1 ZINC000418076453 387086758 /nfs/dbraw/zinc/08/67/58/387086758.db2.gz JIIGZTWHKLAIHC-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000336259445 387090030 /nfs/dbraw/zinc/09/00/30/387090030.db2.gz AYPURQJHXNFLMW-VIFPVBQESA-N 1 2 220.251 1.273 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000336259445 387090035 /nfs/dbraw/zinc/09/00/35/387090035.db2.gz AYPURQJHXNFLMW-VIFPVBQESA-N 1 2 220.251 1.273 20 0 BDADLO CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000057379459 387131098 /nfs/dbraw/zinc/13/10/98/387131098.db2.gz GLBSHZFZCJJNDR-UHFFFAOYSA-N 1 2 224.308 1.373 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H](C2CC2)O1 ZINC000334999645 387091983 /nfs/dbraw/zinc/09/19/83/387091983.db2.gz PTHFYVDRRUUQEA-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](C2CC2)O1 ZINC000334999645 387091986 /nfs/dbraw/zinc/09/19/86/387091986.db2.gz PTHFYVDRRUUQEA-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO C[NH2+]Cc1noc(C2=CC[C@@H](C)CC2)n1 ZINC000333938185 387093045 /nfs/dbraw/zinc/09/30/45/387093045.db2.gz MDLUCRSFMWCEJK-MRVPVSSYSA-N 1 2 207.277 1.992 20 0 BDADLO Cn1nncc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000352342582 387093744 /nfs/dbraw/zinc/09/37/44/387093744.db2.gz VMOVDWNNKIQUIT-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO Cn1nncc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000352342582 387093748 /nfs/dbraw/zinc/09/37/48/387093748.db2.gz VMOVDWNNKIQUIT-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H](O)CN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000335000127 387093926 /nfs/dbraw/zinc/09/39/26/387093926.db2.gz XFGPKCKMWZNZOZ-MRVPVSSYSA-N 1 2 237.278 1.529 20 0 BDADLO CSC1(C[NH+]2CC(S(C)(=O)=O)C2)CCC1 ZINC000418086056 387094025 /nfs/dbraw/zinc/09/40/25/387094025.db2.gz XRJGLXWUDNCPHC-UHFFFAOYSA-N 1 2 249.401 1.001 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cn[nH]c1C)CC(C)C ZINC000418093829 387100632 /nfs/dbraw/zinc/10/06/32/387100632.db2.gz HHSMYQRBPPVREX-GFCCVEGCSA-N 1 2 225.336 1.869 20 0 BDADLO C[C@]1(F)CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000336267404 387101231 /nfs/dbraw/zinc/10/12/31/387101231.db2.gz OVDKBBIMUNJQLA-ZDUSSCGKSA-N 1 2 242.338 1.869 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000336267404 387101235 /nfs/dbraw/zinc/10/12/35/387101235.db2.gz OVDKBBIMUNJQLA-ZDUSSCGKSA-N 1 2 242.338 1.869 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000336267317 387101507 /nfs/dbraw/zinc/10/15/07/387101507.db2.gz HPVZRYOGTLHKSM-LBPRGKRZSA-N 1 2 230.327 1.725 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000336267317 387101510 /nfs/dbraw/zinc/10/15/10/387101510.db2.gz HPVZRYOGTLHKSM-LBPRGKRZSA-N 1 2 230.327 1.725 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000335009113 387104375 /nfs/dbraw/zinc/10/43/75/387104375.db2.gz LANPOOPMNPCAQJ-PSASIEDQSA-N 1 2 239.344 1.544 20 0 BDADLO CCCC[N@H+](CCOC)Cc1nnc(CC)o1 ZINC000068851812 387106963 /nfs/dbraw/zinc/10/69/63/387106963.db2.gz SMPSJVMQUCQSKV-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1nnc(CC)o1 ZINC000068851812 387106967 /nfs/dbraw/zinc/10/69/67/387106967.db2.gz SMPSJVMQUCQSKV-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCOC[C@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000188870844 387112783 /nfs/dbraw/zinc/11/27/83/387112783.db2.gz JEQMSSGJSYDHHE-NSHDSACASA-N 1 2 211.309 1.560 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424870791 387118058 /nfs/dbraw/zinc/11/80/58/387118058.db2.gz VHMXKQBJKVEVFI-KWQFWETISA-N 1 2 225.267 1.267 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@]1(C)C[C@@H]1F ZINC000424870788 387118284 /nfs/dbraw/zinc/11/82/84/387118284.db2.gz VHMXKQBJKVEVFI-GZMMTYOYSA-N 1 2 225.267 1.267 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000228922396 387127335 /nfs/dbraw/zinc/12/73/35/387127335.db2.gz LYORCVHCUQVBEA-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO FC(F)[C@H]1CCCN1CCn1cc[nH+]c1 ZINC000353169696 387148490 /nfs/dbraw/zinc/14/84/90/387148490.db2.gz FMHKMXHUDSUXMW-SECBINFHSA-N 1 2 215.247 1.613 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@H](O)C(F)(F)F ZINC000571700923 387148704 /nfs/dbraw/zinc/14/87/04/387148704.db2.gz BVVBIHJHEWBIBQ-QMMMGPOBSA-N 1 2 249.236 1.241 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2ncnn2C)nc1 ZINC000353186606 387153892 /nfs/dbraw/zinc/15/38/92/387153892.db2.gz YNBYOOIVMDWLSS-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC3(CC3)C2)no1 ZINC000186990035 387158077 /nfs/dbraw/zinc/15/80/77/387158077.db2.gz LGJIMMKOSADMSB-UHFFFAOYSA-N 1 2 207.277 1.754 20 0 BDADLO Cc1nc(C[N@H+]2CCCC3(CC3)C2)no1 ZINC000186990035 387158085 /nfs/dbraw/zinc/15/80/85/387158085.db2.gz LGJIMMKOSADMSB-UHFFFAOYSA-N 1 2 207.277 1.754 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CCC=C(C)C1 ZINC000352412559 387169243 /nfs/dbraw/zinc/16/92/43/387169243.db2.gz GSPWZLIGNGVRCI-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CCC=C(C)C1 ZINC000352412559 387169247 /nfs/dbraw/zinc/16/92/47/387169247.db2.gz GSPWZLIGNGVRCI-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO CC(C)[N@H+](CCO)Cc1csc(Cl)n1 ZINC000290025235 387171611 /nfs/dbraw/zinc/17/16/11/387171611.db2.gz MYCQWHPYKVWAHC-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1csc(Cl)n1 ZINC000290025235 387171616 /nfs/dbraw/zinc/17/16/16/387171616.db2.gz MYCQWHPYKVWAHC-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO O=C1NCC[C@@H]1[NH+]1CC(Cc2ccccc2F)C1 ZINC000371205238 387172360 /nfs/dbraw/zinc/17/23/60/387172360.db2.gz PSGCGNLDQRJUPP-ZDUSSCGKSA-N 1 2 248.301 1.189 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000571807064 387174347 /nfs/dbraw/zinc/17/43/47/387174347.db2.gz UCUANPKVZSPEDM-SECBINFHSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000571807064 387174352 /nfs/dbraw/zinc/17/43/52/387174352.db2.gz UCUANPKVZSPEDM-SECBINFHSA-N 1 2 215.297 1.780 20 0 BDADLO CCn1c[nH+]cc1CN[C@@H](C)C(=O)OC(C)C ZINC000418111316 387178805 /nfs/dbraw/zinc/17/88/05/387178805.db2.gz GTVTXLISPHVUPP-JTQLQIEISA-N 1 2 239.319 1.333 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000336352604 387182708 /nfs/dbraw/zinc/18/27/08/387182708.db2.gz IMYQIGMHSWXUBE-JQWIXIFHSA-N 1 2 234.299 1.302 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000336352408 387183073 /nfs/dbraw/zinc/18/30/73/387183073.db2.gz UEAQDRIUOWSFFX-GHMZBOCLSA-N 1 2 221.304 1.173 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000424581925 387184317 /nfs/dbraw/zinc/18/43/17/387184317.db2.gz HBHGCKBPPFMURX-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1nc(N(C)Cc2ccnn2C)c(C)c(C)[nH+]1 ZINC000359896310 387185917 /nfs/dbraw/zinc/18/59/17/387185917.db2.gz HJGCZCJSNXKXMG-UHFFFAOYSA-N 1 2 245.330 1.772 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000352423166 387188903 /nfs/dbraw/zinc/18/89/03/387188903.db2.gz WTFWTUAUFQJXTE-MDZLAQPJSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nccn1C(F)F ZINC000158392779 387132687 /nfs/dbraw/zinc/13/26/87/387132687.db2.gz ZAPVOGZNIOORBN-ZETCQYMHSA-N 1 2 219.235 1.091 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nccn1C(F)F ZINC000158392779 387132693 /nfs/dbraw/zinc/13/26/93/387132693.db2.gz ZAPVOGZNIOORBN-ZETCQYMHSA-N 1 2 219.235 1.091 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000370745578 387140681 /nfs/dbraw/zinc/14/06/81/387140681.db2.gz SBWFCDPXIVKSEK-SNVBAGLBSA-N 1 2 249.343 1.609 20 0 BDADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000370745578 387140685 /nfs/dbraw/zinc/14/06/85/387140685.db2.gz SBWFCDPXIVKSEK-SNVBAGLBSA-N 1 2 249.343 1.609 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)nc1 ZINC000336378767 387208879 /nfs/dbraw/zinc/20/88/79/387208879.db2.gz VAECPJBHUSCVNC-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NCC2(C)C)nc1 ZINC000336378767 387208883 /nfs/dbraw/zinc/20/88/83/387208883.db2.gz VAECPJBHUSCVNC-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1nnsc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000571980253 387213597 /nfs/dbraw/zinc/21/35/97/387213597.db2.gz BZGABPGRHLNVTI-ZIDLFYJRSA-N 1 2 247.389 1.045 20 0 BDADLO Cc1nnsc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000571980253 387213604 /nfs/dbraw/zinc/21/36/04/387213604.db2.gz BZGABPGRHLNVTI-ZIDLFYJRSA-N 1 2 247.389 1.045 20 0 BDADLO CCCC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000371464782 387219586 /nfs/dbraw/zinc/21/95/86/387219586.db2.gz WPDBYKNXBXDISN-SNVBAGLBSA-N 1 2 221.304 1.884 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000336393377 387222057 /nfs/dbraw/zinc/22/20/57/387222057.db2.gz WWCCSJGCVNOLSN-AAEUAGOBSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000336393377 387222058 /nfs/dbraw/zinc/22/20/58/387222058.db2.gz WWCCSJGCVNOLSN-AAEUAGOBSA-N 1 2 249.358 1.810 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000336394492 387222631 /nfs/dbraw/zinc/22/26/31/387222631.db2.gz MJKFNCLPEDNSCC-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000336394492 387222635 /nfs/dbraw/zinc/22/26/35/387222635.db2.gz MJKFNCLPEDNSCC-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cc[nH]n1 ZINC000353529571 387224007 /nfs/dbraw/zinc/22/40/07/387224007.db2.gz QNUIZONMBWXHNH-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353529571 387224014 /nfs/dbraw/zinc/22/40/14/387224014.db2.gz QNUIZONMBWXHNH-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCSC1 ZINC000336396310 387224047 /nfs/dbraw/zinc/22/40/47/387224047.db2.gz RCCDLACNQVJYNX-VIFPVBQESA-N 1 2 239.344 1.511 20 0 BDADLO Cn1c2ccccc2[nH+]c1Cn1ncsc1=O ZINC000187698739 387224034 /nfs/dbraw/zinc/22/40/34/387224034.db2.gz OLXDHIXOCNZSHO-UHFFFAOYSA-N 1 2 246.295 1.240 20 0 BDADLO CC(C)n1ncnc1C[N@H+](CCO)CC1CC1 ZINC000352458412 387225201 /nfs/dbraw/zinc/22/52/01/387225201.db2.gz KEHRBBMWIZONEX-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](CCO)CC1CC1 ZINC000352458412 387225204 /nfs/dbraw/zinc/22/52/04/387225204.db2.gz KEHRBBMWIZONEX-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)c1nc(N[C@@H](CO)CC2CCC2)cc[nH+]1 ZINC000360108544 387226365 /nfs/dbraw/zinc/22/63/65/387226365.db2.gz QXYANHCYMYEBCU-GFCCVEGCSA-N 1 2 249.358 1.985 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(OC)CCCC1 ZINC000572093981 387234385 /nfs/dbraw/zinc/23/43/85/387234385.db2.gz QSGDGEYMXFHGDG-UHFFFAOYSA-N 1 2 248.326 1.964 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1(C)CCC1)CC2 ZINC000371703841 387241645 /nfs/dbraw/zinc/24/16/45/387241645.db2.gz QFAXYROXARIRDJ-UHFFFAOYSA-N 1 2 233.315 1.724 20 0 BDADLO CCOCc1nc([C@@H](C)[NH2+][C@H]2CCOC2)no1 ZINC000353627522 387245959 /nfs/dbraw/zinc/24/59/59/387245959.db2.gz WNJCUSHTQPHLIW-BDAKNGLRSA-N 1 2 241.291 1.046 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cnn(C)c1 ZINC000097604665 387251298 /nfs/dbraw/zinc/25/12/98/387251298.db2.gz COTTUGFBCULVHU-SECBINFHSA-N 1 2 219.292 1.004 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639775670 387258987 /nfs/dbraw/zinc/25/89/87/387258987.db2.gz DSHWHNZECVQPTA-GFCCVEGCSA-N 1 2 246.318 1.358 20 0 BDADLO CCn1nncc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639775670 387258988 /nfs/dbraw/zinc/25/89/88/387258988.db2.gz DSHWHNZECVQPTA-GFCCVEGCSA-N 1 2 246.318 1.358 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000120673219 387262077 /nfs/dbraw/zinc/26/20/77/387262077.db2.gz HXDQKJJASMUDOU-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOC(C)(C)C1 ZINC000120673219 387262082 /nfs/dbraw/zinc/26/20/82/387262082.db2.gz HXDQKJJASMUDOU-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@@H]1F ZINC000424744489 387264847 /nfs/dbraw/zinc/26/48/47/387264847.db2.gz UTKDYVPBBUBTGA-JQWIXIFHSA-N 1 2 239.294 1.480 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1ccon1 ZINC000353811832 387279757 /nfs/dbraw/zinc/27/97/57/387279757.db2.gz RSGGTLGUPNOTHZ-SECBINFHSA-N 1 2 246.270 1.683 20 0 BDADLO Cc1ccoc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000572256866 387287267 /nfs/dbraw/zinc/28/72/67/387287267.db2.gz YFICCSCHIPDCFS-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372262492 387287427 /nfs/dbraw/zinc/28/74/27/387287427.db2.gz REEIRIQUNOPHLF-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO COC(=O)c1occc1C[N@H+]1CC[C@@H](OC)C1 ZINC000353881703 387290269 /nfs/dbraw/zinc/29/02/69/387290269.db2.gz MHAQBFCSLLONJX-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000353881703 387290272 /nfs/dbraw/zinc/29/02/72/387290272.db2.gz MHAQBFCSLLONJX-SNVBAGLBSA-N 1 2 239.271 1.287 20 0 BDADLO Cc1nnc([C@@H](C)Nc2nc(C)[nH+]cc2C)o1 ZINC000514873775 387301952 /nfs/dbraw/zinc/30/19/52/387301952.db2.gz WVHQDNDNEFZWDG-SSDOTTSWSA-N 1 2 233.275 1.380 20 0 BDADLO c1ncn([C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000372480648 387306728 /nfs/dbraw/zinc/30/67/28/387306728.db2.gz IBVHMUBFCSIMLQ-SNVBAGLBSA-N 1 2 215.260 1.125 20 0 BDADLO Cc1cc(NC2(CCO)CC2)nc(C2CC2)[nH+]1 ZINC000431493195 387360956 /nfs/dbraw/zinc/36/09/56/387360956.db2.gz HBZMXJJPGBWZTM-UHFFFAOYSA-N 1 2 233.315 1.989 20 0 BDADLO C[C@H](CNC(=O)CCn1cc[nH+]c1)CC(F)F ZINC000648473238 387365375 /nfs/dbraw/zinc/36/53/75/387365375.db2.gz VNDMRJPJAFAPII-VIFPVBQESA-N 1 2 245.273 1.681 20 0 BDADLO O=S1CC[NH+](CCCc2ccsc2)CC1 ZINC000360966948 387377150 /nfs/dbraw/zinc/37/71/50/387377150.db2.gz WCZMPJZPCHMHDJ-UHFFFAOYSA-N 1 2 243.397 1.745 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1nccn1C ZINC000336557289 387380116 /nfs/dbraw/zinc/38/01/16/387380116.db2.gz ZRVVXNQEKKKCOV-MWLCHTKSSA-N 1 2 245.330 1.871 20 0 BDADLO CCc1nn(C)cc1C[N@H+](C(C)C)C1COC1 ZINC000648606474 387380379 /nfs/dbraw/zinc/38/03/79/387380379.db2.gz TVXZJODJQZGTRP-UHFFFAOYSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@@H+](C(C)C)C1COC1 ZINC000648606474 387380385 /nfs/dbraw/zinc/38/03/85/387380385.db2.gz TVXZJODJQZGTRP-UHFFFAOYSA-N 1 2 237.347 1.592 20 0 BDADLO CC1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000121249995 387320160 /nfs/dbraw/zinc/32/01/60/387320160.db2.gz FPOAQLSZAHQNRK-UHFFFAOYSA-N 1 2 247.342 1.678 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(C)=C(C)C1 ZINC000515073231 387331256 /nfs/dbraw/zinc/33/12/56/387331256.db2.gz OABZTOHLXIPHHY-UHFFFAOYSA-N 1 2 234.303 1.614 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(C)=C(C)C1 ZINC000515073231 387331261 /nfs/dbraw/zinc/33/12/61/387331261.db2.gz OABZTOHLXIPHHY-UHFFFAOYSA-N 1 2 234.303 1.614 20 0 BDADLO CC(C)=CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336505691 387331797 /nfs/dbraw/zinc/33/17/97/387331797.db2.gz GIODHQLDTYPUCI-UHFFFAOYSA-N 1 2 208.305 1.259 20 0 BDADLO CC(C)=CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336505691 387331802 /nfs/dbraw/zinc/33/18/02/387331802.db2.gz GIODHQLDTYPUCI-UHFFFAOYSA-N 1 2 208.305 1.259 20 0 BDADLO COC(C)(C)CNC(=O)Nc1cc[nH+]cc1C ZINC000121393042 387344596 /nfs/dbraw/zinc/34/45/96/387344596.db2.gz MOGYQYIUCHPAMD-UHFFFAOYSA-N 1 2 237.303 1.937 20 0 BDADLO c1nc(NCC2=CCOCC2)cc(NC2CC2)[nH+]1 ZINC000515215888 387350304 /nfs/dbraw/zinc/35/03/04/387350304.db2.gz PPCLQTPEUCBWQF-UHFFFAOYSA-N 1 2 246.314 1.810 20 0 BDADLO c1nc(NC2CC2)cc(NCC2=CCOCC2)[nH+]1 ZINC000515215888 387350309 /nfs/dbraw/zinc/35/03/09/387350309.db2.gz PPCLQTPEUCBWQF-UHFFFAOYSA-N 1 2 246.314 1.810 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000648671826 387426530 /nfs/dbraw/zinc/42/65/30/387426530.db2.gz VGJIGWCOVHICEK-IJLUTSLNSA-N 1 2 233.315 1.578 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352663883 387427671 /nfs/dbraw/zinc/42/76/71/387427671.db2.gz AHIKNDWCZXIOSU-GHMZBOCLSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352663883 387427675 /nfs/dbraw/zinc/42/76/75/387427675.db2.gz AHIKNDWCZXIOSU-GHMZBOCLSA-N 1 2 238.335 1.204 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H](C2CC2)C1 ZINC000374306320 387439550 /nfs/dbraw/zinc/43/95/50/387439550.db2.gz DBUHDPNBJLLMEU-LBPRGKRZSA-N 1 2 233.315 1.532 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]3COC[C@H]32)no1 ZINC000374320893 387442313 /nfs/dbraw/zinc/44/23/13/387442313.db2.gz NQSQPIPQPXXHDV-CMPLNLGQSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]3COC[C@H]32)no1 ZINC000374320893 387442320 /nfs/dbraw/zinc/44/23/20/387442320.db2.gz NQSQPIPQPXXHDV-CMPLNLGQSA-N 1 2 222.288 1.594 20 0 BDADLO CCCc1noc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000374355269 387445948 /nfs/dbraw/zinc/44/59/48/387445948.db2.gz FPPUPDJOHVOTFM-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1noc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000374355269 387445953 /nfs/dbraw/zinc/44/59/53/387445953.db2.gz FPPUPDJOHVOTFM-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1CC[C@@H](OC)C1 ZINC000361363381 387446158 /nfs/dbraw/zinc/44/61/58/387446158.db2.gz YJRARJCPEHIYBF-SECBINFHSA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000361363381 387446164 /nfs/dbraw/zinc/44/61/64/387446164.db2.gz YJRARJCPEHIYBF-SECBINFHSA-N 1 2 239.271 1.287 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]3COC[C@H]32)s1 ZINC000374353406 387446479 /nfs/dbraw/zinc/44/64/79/387446479.db2.gz UULORSIXVRJXHY-VHSXEESVSA-N 1 2 239.344 1.457 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]3COC[C@H]32)s1 ZINC000374353406 387446486 /nfs/dbraw/zinc/44/64/86/387446486.db2.gz UULORSIXVRJXHY-VHSXEESVSA-N 1 2 239.344 1.457 20 0 BDADLO CCN(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336605745 387448648 /nfs/dbraw/zinc/44/86/48/387448648.db2.gz JNVRQUFXGOWBHX-SNVBAGLBSA-N 1 2 236.319 1.249 20 0 BDADLO CCC[C@H]([NH2+][C@@H](COC)CC(C)C)C(=O)OC ZINC000354929236 387449897 /nfs/dbraw/zinc/44/98/97/387449897.db2.gz LFQMIOKKXUWTCF-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1cnccc1C ZINC000361433205 387462270 /nfs/dbraw/zinc/46/22/70/387462270.db2.gz BGMRWUUEZKMGKS-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000361433205 387462275 /nfs/dbraw/zinc/46/22/75/387462275.db2.gz BGMRWUUEZKMGKS-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCc3n[nH]nc3C2)cc1 ZINC000361391334 387455371 /nfs/dbraw/zinc/45/53/71/387455371.db2.gz OPGDWGMLVWAUPK-FZMZJTMJSA-N 1 2 240.310 1.719 20 0 BDADLO c1ccc([C@@H]2C[C@@H]2[N@H+]2CCc3n[nH]nc3C2)cc1 ZINC000361391334 387455377 /nfs/dbraw/zinc/45/53/77/387455377.db2.gz OPGDWGMLVWAUPK-FZMZJTMJSA-N 1 2 240.310 1.719 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1cnccc1C ZINC000361422749 387459052 /nfs/dbraw/zinc/45/90/52/387459052.db2.gz OSPWBMJTISSAHR-UHFFFAOYSA-N 1 2 249.358 1.738 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000361422749 387459054 /nfs/dbraw/zinc/45/90/54/387459054.db2.gz OSPWBMJTISSAHR-UHFFFAOYSA-N 1 2 249.358 1.738 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cncc(F)c1 ZINC000361132645 387403716 /nfs/dbraw/zinc/40/37/16/387403716.db2.gz QZVNKJNUQXEUIX-MRVPVSSYSA-N 1 2 247.277 1.274 20 0 BDADLO O=C(C[N@H+]1CC[C@H]1c1ccccc1F)N1CCC1 ZINC000374066717 387416981 /nfs/dbraw/zinc/41/69/81/387416981.db2.gz PHYLTJMZRXJXGS-ZDUSSCGKSA-N 1 2 248.301 1.805 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1F)N1CCC1 ZINC000374066717 387416984 /nfs/dbraw/zinc/41/69/84/387416984.db2.gz PHYLTJMZRXJXGS-ZDUSSCGKSA-N 1 2 248.301 1.805 20 0 BDADLO CCCc1nc(C[N@H+](C)C2CCOCC2)no1 ZINC000515729828 387417580 /nfs/dbraw/zinc/41/75/80/387417580.db2.gz PSUGSRFCZPYKLM-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1nc(C[N@@H+](C)C2CCOCC2)no1 ZINC000515729828 387417583 /nfs/dbraw/zinc/41/75/83/387417583.db2.gz PSUGSRFCZPYKLM-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1(O)CCCCC1 ZINC000515670508 387417703 /nfs/dbraw/zinc/41/77/03/387417703.db2.gz OFXYXRQTAHGYHJ-UHFFFAOYSA-N 1 2 235.331 1.622 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@]1(C)CCO[C@H]1C ZINC000336592491 387419114 /nfs/dbraw/zinc/41/91/14/387419114.db2.gz BJUAGXSVYHJNAN-GXFFZTMASA-N 1 2 249.314 1.501 20 0 BDADLO Cc1cc(CNC(=O)C(C)(C)O)cc(C)[nH+]1 ZINC000421920562 387505241 /nfs/dbraw/zinc/50/52/41/387505241.db2.gz NXDBSBGRPWVKLT-UHFFFAOYSA-N 1 2 222.288 1.086 20 0 BDADLO Cc1nc(CN2CCC[C@H]2c2[nH]cc[nH+]2)no1 ZINC000375003083 387506579 /nfs/dbraw/zinc/50/65/79/387506579.db2.gz FBWVZLOCICGLQL-VIFPVBQESA-N 1 2 233.275 1.438 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nccn2C)cn1 ZINC000375031919 387506864 /nfs/dbraw/zinc/50/68/64/387506864.db2.gz QBRYGSGBJNNIPE-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2nccn2C)cn1 ZINC000375031919 387506868 /nfs/dbraw/zinc/50/68/68/387506868.db2.gz QBRYGSGBJNNIPE-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1cc(CNC(=O)CC(C)(C)O)cc(C)[nH+]1 ZINC000421927017 387507154 /nfs/dbraw/zinc/50/71/54/387507154.db2.gz YZDCUNREFPCISE-UHFFFAOYSA-N 1 2 236.315 1.476 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)Cc2ccnn2C)n1 ZINC000355292298 387513483 /nfs/dbraw/zinc/51/34/83/387513483.db2.gz OMPQCSUNYQHSAZ-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C)Cc2ccnn2C)n1 ZINC000355292298 387513489 /nfs/dbraw/zinc/51/34/89/387513489.db2.gz OMPQCSUNYQHSAZ-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOC(C)(C)C ZINC000361627843 387514405 /nfs/dbraw/zinc/51/44/05/387514405.db2.gz FYJMXPCDNXDHMQ-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000361627843 387514409 /nfs/dbraw/zinc/51/44/09/387514409.db2.gz FYJMXPCDNXDHMQ-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCO[C@H]1CCCCO1 ZINC000361646909 387516484 /nfs/dbraw/zinc/51/64/84/387516484.db2.gz WQEZQICZPLDHOZ-MNOVXSKESA-N 1 2 245.319 1.023 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000361646909 387516487 /nfs/dbraw/zinc/51/64/87/387516487.db2.gz WQEZQICZPLDHOZ-MNOVXSKESA-N 1 2 245.319 1.023 20 0 BDADLO CC(C)CCCC(=O)NCCc1c[nH+]cn1C ZINC000516538774 387520601 /nfs/dbraw/zinc/52/06/01/387520601.db2.gz GALCASJNFCRYGG-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CCc1ccc(C[NH2+][C@H](C)c2nncn2C)cn1 ZINC000352825576 387529573 /nfs/dbraw/zinc/52/95/73/387529573.db2.gz SKDVVDCDOCZXQU-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO Cn1ccnc1C[N@H+](C)C/C=C/c1ccncc1 ZINC000426164434 387544315 /nfs/dbraw/zinc/54/43/15/387544315.db2.gz CVCKJHQLWMVXGL-ONEGZZNKSA-N 1 2 242.326 1.960 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C/C=C/c1ccncc1 ZINC000426164434 387544323 /nfs/dbraw/zinc/54/43/23/387544323.db2.gz CVCKJHQLWMVXGL-ONEGZZNKSA-N 1 2 242.326 1.960 20 0 BDADLO COC(=O)[C@]12C[N@H+](CC(F)F)C[C@H]1CCCC2 ZINC000375397743 387537077 /nfs/dbraw/zinc/53/70/77/387537077.db2.gz OZUQNTNJIVXXHR-BXKDBHETSA-N 1 2 247.285 1.917 20 0 BDADLO COC(=O)[C@]12C[N@@H+](CC(F)F)C[C@H]1CCCC2 ZINC000375397743 387537081 /nfs/dbraw/zinc/53/70/81/387537081.db2.gz OZUQNTNJIVXXHR-BXKDBHETSA-N 1 2 247.285 1.917 20 0 BDADLO C[N@H+](CC(=O)NC(C)(C)C)CC1(F)CC1 ZINC000527218339 387539265 /nfs/dbraw/zinc/53/92/65/387539265.db2.gz MGFUEGHLDFZUEM-UHFFFAOYSA-N 1 2 216.300 1.335 20 0 BDADLO C[N@@H+](CC(=O)NC(C)(C)C)CC1(F)CC1 ZINC000527218339 387539270 /nfs/dbraw/zinc/53/92/70/387539270.db2.gz MGFUEGHLDFZUEM-UHFFFAOYSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@H]1SCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000648689878 387539883 /nfs/dbraw/zinc/53/98/83/387539883.db2.gz VYTURYIRKXFACR-ZJUUUORDSA-N 1 2 239.344 1.283 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CN(C)C(=O)[C@H]1C ZINC000648075018 387471321 /nfs/dbraw/zinc/47/13/21/387471321.db2.gz SLGRKPVJLNOPML-SNVBAGLBSA-N 1 2 236.319 1.084 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1 ZINC000355060655 387472991 /nfs/dbraw/zinc/47/29/91/387472991.db2.gz OONJNHOVYAZXNB-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1 ZINC000355060655 387472992 /nfs/dbraw/zinc/47/29/92/387472992.db2.gz OONJNHOVYAZXNB-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000361499898 387473866 /nfs/dbraw/zinc/47/38/66/387473866.db2.gz WWCCOSUPGMXFES-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000361499898 387473871 /nfs/dbraw/zinc/47/38/71/387473871.db2.gz WWCCOSUPGMXFES-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCSC[C@H]1CCO ZINC000355075187 387475303 /nfs/dbraw/zinc/47/53/03/387475303.db2.gz AJKCETXDDOXFMA-LLVKDONJSA-N 1 2 241.360 1.018 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCSC[C@H]1CCO ZINC000355075187 387475307 /nfs/dbraw/zinc/47/53/07/387475307.db2.gz AJKCETXDDOXFMA-LLVKDONJSA-N 1 2 241.360 1.018 20 0 BDADLO CCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374649805 387476292 /nfs/dbraw/zinc/47/62/92/387476292.db2.gz UQFXOWQSSCOLMP-UHFFFAOYSA-N 1 2 207.277 1.334 20 0 BDADLO COC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000355098464 387479625 /nfs/dbraw/zinc/47/96/25/387479625.db2.gz OVLQBUQPJLQGHB-SRVKXCTJSA-N 1 2 243.347 1.590 20 0 BDADLO CC[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000421908058 387482982 /nfs/dbraw/zinc/48/29/82/387482982.db2.gz DSUZHXHLRWBKKL-MRVPVSSYSA-N 1 2 209.293 1.423 20 0 BDADLO CC[C@@H](C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000421908058 387482989 /nfs/dbraw/zinc/48/29/89/387482989.db2.gz DSUZHXHLRWBKKL-MRVPVSSYSA-N 1 2 209.293 1.423 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C/C=C/c1ccncc1 ZINC000426151803 387542397 /nfs/dbraw/zinc/54/23/97/387542397.db2.gz XYSGHUDXGDRLHK-AAOUONPWSA-N 1 2 245.326 1.257 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C/C=C/c1ccncc1 ZINC000426151803 387542398 /nfs/dbraw/zinc/54/23/98/387542398.db2.gz XYSGHUDXGDRLHK-AAOUONPWSA-N 1 2 245.326 1.257 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC1(C)C)CC2 ZINC000374696151 387483366 /nfs/dbraw/zinc/48/33/66/387483366.db2.gz WJUWGTGYCBXOTR-JTQLQIEISA-N 1 2 233.315 1.580 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1nnc(C)s1)CC2 ZINC000374695812 387483640 /nfs/dbraw/zinc/48/36/40/387483640.db2.gz HLWOCNCFIPTIIA-UHFFFAOYSA-N 1 2 249.343 1.367 20 0 BDADLO COC(=O)[C@H]1CCN(c2cccc[nH+]2)[C@H]1C ZINC000336634195 387484102 /nfs/dbraw/zinc/48/41/02/387484102.db2.gz CCKNASCOTPWASB-UWVGGRQHSA-N 1 2 220.272 1.469 20 0 BDADLO c1cc2c(nc[nH+]c2S[C@@H]2CCOC2)[nH]1 ZINC000336633984 387484291 /nfs/dbraw/zinc/48/42/91/387484291.db2.gz LXVQNRMPRJREIB-SSDOTTSWSA-N 1 2 221.285 1.839 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336633205 387484921 /nfs/dbraw/zinc/48/49/21/387484921.db2.gz OMYRTJKMEWXFOI-SECBINFHSA-N 1 2 249.236 1.385 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336633205 387484925 /nfs/dbraw/zinc/48/49/25/387484925.db2.gz OMYRTJKMEWXFOI-SECBINFHSA-N 1 2 249.236 1.385 20 0 BDADLO COC1(C[N@@H+]2CCn3cnnc3C2)CCCC1 ZINC000361560993 387491372 /nfs/dbraw/zinc/49/13/72/387491372.db2.gz BSSPXHKGKPRKFG-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO COC1(C[N@H+]2CCn3cnnc3C2)CCCC1 ZINC000361560993 387491378 /nfs/dbraw/zinc/49/13/78/387491378.db2.gz BSSPXHKGKPRKFG-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000362183658 387581908 /nfs/dbraw/zinc/58/19/08/387581908.db2.gz QEBVTKSWPWXEIF-ZYHUDNBSSA-N 1 2 219.284 1.995 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000362183658 387581910 /nfs/dbraw/zinc/58/19/10/387581910.db2.gz QEBVTKSWPWXEIF-ZYHUDNBSSA-N 1 2 219.284 1.995 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccnc(C)c2)n1 ZINC000527539483 387608527 /nfs/dbraw/zinc/60/85/27/387608527.db2.gz QPWCSMJSNMIIRJ-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@]23CCOC3)ccn1 ZINC000527540812 387611996 /nfs/dbraw/zinc/61/19/96/387611996.db2.gz UVZQHOZTKUEJHG-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@]23CCOC3)ccn1 ZINC000527540812 387611999 /nfs/dbraw/zinc/61/19/99/387611999.db2.gz UVZQHOZTKUEJHG-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000362507101 387620159 /nfs/dbraw/zinc/62/01/59/387620159.db2.gz UDULLNLNJXFLKB-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000362507101 387620165 /nfs/dbraw/zinc/62/01/65/387620165.db2.gz UDULLNLNJXFLKB-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO COC(=O)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121179126 387574395 /nfs/dbraw/zinc/57/43/95/387574395.db2.gz AUWYULPUZGAMEN-NSHDSACASA-N 1 2 239.271 1.216 20 0 BDADLO COC(=O)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121179126 387574398 /nfs/dbraw/zinc/57/43/98/387574398.db2.gz AUWYULPUZGAMEN-NSHDSACASA-N 1 2 239.271 1.216 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000333035504 387575955 /nfs/dbraw/zinc/57/59/55/387575955.db2.gz ULFRWAUHHVDIDW-OUAUKWLOSA-N 1 2 248.330 1.468 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000333035503 387576168 /nfs/dbraw/zinc/57/61/68/387576168.db2.gz ULFRWAUHHVDIDW-GMTAPVOTSA-N 1 2 248.330 1.468 20 0 BDADLO CC[C@@H](NC(=O)Cc1cc(C)on1)c1[nH]cc[nH+]1 ZINC000527485197 387579741 /nfs/dbraw/zinc/57/97/41/387579741.db2.gz RNBLJHIBPLIOKM-SNVBAGLBSA-N 1 2 248.286 1.516 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1O ZINC000042542859 387632960 /nfs/dbraw/zinc/63/29/60/387632960.db2.gz MHYXRAFCHBSIJX-UHFFFAOYSA-N 1 2 245.282 1.327 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000356318532 387644421 /nfs/dbraw/zinc/64/44/21/387644421.db2.gz LNRUPSWGFVYNEE-VIFPVBQESA-N 1 2 245.273 1.779 20 0 BDADLO CC(C)c1nocc1C(=O)N1CC[NH+](C)CC1 ZINC000527634569 387645059 /nfs/dbraw/zinc/64/50/59/387645059.db2.gz ZJRHVFYVNNKVSJ-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO CC[C@H](Nc1ncc(F)cn1)c1[nH]cc[nH+]1 ZINC000125216863 387647174 /nfs/dbraw/zinc/64/71/74/387647174.db2.gz JDJIYSVFOUNINQ-QMMMGPOBSA-N 1 2 221.239 1.902 20 0 BDADLO CC[C@H](NC(=O)c1cn[nH]c1)c1[nH]cc[nH+]1 ZINC000125328056 387650961 /nfs/dbraw/zinc/65/09/61/387650961.db2.gz OLFOPPMCLRZSEE-QMMMGPOBSA-N 1 2 219.248 1.014 20 0 BDADLO Cn1nnc(C[NH2+][C@H](c2ccccc2)C2CC2)n1 ZINC000194290620 387654783 /nfs/dbraw/zinc/65/47/83/387654783.db2.gz OWPCNLHFALKKOL-CYBMUJFWSA-N 1 2 243.314 1.451 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)n1 ZINC000356412410 387654929 /nfs/dbraw/zinc/65/49/29/387654929.db2.gz CNPYPKXZTNXNHR-MRVPVSSYSA-N 1 2 249.318 1.579 20 0 BDADLO COC(=O)c1cc(CNc2cc[nH+]cc2F)c[nH]1 ZINC000362803594 387660387 /nfs/dbraw/zinc/66/03/87/387660387.db2.gz ZWDSTLXEEHAHCD-UHFFFAOYSA-N 1 2 249.245 1.369 20 0 BDADLO Cc1nc(N(C)[C@@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000362838844 387664395 /nfs/dbraw/zinc/66/43/95/387664395.db2.gz FXCDJNYYSLOAEC-SECBINFHSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@@H]2CC2(C)C)[nH+]1 ZINC000362838844 387664399 /nfs/dbraw/zinc/66/43/99/387664399.db2.gz FXCDJNYYSLOAEC-SECBINFHSA-N 1 2 235.335 1.481 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1ncnn1CC(F)F ZINC000362935563 387674224 /nfs/dbraw/zinc/67/42/24/387674224.db2.gz QBTWZTPGKDVORR-MRVPVSSYSA-N 1 2 248.277 1.010 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000362935563 387674228 /nfs/dbraw/zinc/67/42/28/387674228.db2.gz QBTWZTPGKDVORR-MRVPVSSYSA-N 1 2 248.277 1.010 20 0 BDADLO CSc1ccc(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000114339157 387674799 /nfs/dbraw/zinc/67/47/99/387674799.db2.gz ZNCZKGSEJOUXTN-UHFFFAOYSA-N 1 2 237.284 1.655 20 0 BDADLO CC[N@H+](Cc1ncnn1CCF)C1CC1 ZINC000440709299 387678734 /nfs/dbraw/zinc/67/87/34/387678734.db2.gz BYFSLOULNFCZRI-UHFFFAOYSA-N 1 2 212.272 1.232 20 0 BDADLO CC[N@@H+](Cc1ncnn1CCF)C1CC1 ZINC000440709299 387678740 /nfs/dbraw/zinc/67/87/40/387678740.db2.gz BYFSLOULNFCZRI-UHFFFAOYSA-N 1 2 212.272 1.232 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cnn(C(C)C)c2)n1 ZINC000527734935 387682038 /nfs/dbraw/zinc/68/20/38/387682038.db2.gz MTHYWKOJRSMMPM-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CCCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451937250 387684366 /nfs/dbraw/zinc/68/43/66/387684366.db2.gz ZNVOAINIXFZTRO-VIFPVBQESA-N 1 2 245.348 1.293 20 0 BDADLO CCCn1cc[nH+]c1CCCN(C)C(N)=O ZINC000431182837 387684675 /nfs/dbraw/zinc/68/46/75/387684675.db2.gz WDKDVRWJKCCLQN-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cccnc2C)n1 ZINC000527736327 387684939 /nfs/dbraw/zinc/68/49/39/387684939.db2.gz RFQPZRSYTPRQHY-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO c1ncc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000128218224 387742543 /nfs/dbraw/zinc/74/25/43/387742543.db2.gz JSNQQPOQMXOAJD-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO c1ncc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000128218224 387742548 /nfs/dbraw/zinc/74/25/48/387742548.db2.gz JSNQQPOQMXOAJD-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOCC[C@H]1C ZINC000367700400 387742713 /nfs/dbraw/zinc/74/27/13/387742713.db2.gz BWCVZKPEZDWAPL-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOCC[C@H]1C ZINC000367700400 387742716 /nfs/dbraw/zinc/74/27/16/387742716.db2.gz BWCVZKPEZDWAPL-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[nH]1 ZINC000441355073 387745811 /nfs/dbraw/zinc/74/58/11/387745811.db2.gz XVFKNHOEPRAJOH-UWVGGRQHSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)[nH]1 ZINC000441355073 387745820 /nfs/dbraw/zinc/74/58/20/387745820.db2.gz XVFKNHOEPRAJOH-UWVGGRQHSA-N 1 2 238.335 1.366 20 0 BDADLO C[C@H](NCc1[nH+]ccn1C)c1ncccc1F ZINC000527826980 387746459 /nfs/dbraw/zinc/74/64/59/387746459.db2.gz XRLVOOUXXDUABH-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCO[C@H]2C[C@H]21 ZINC000367776395 387751530 /nfs/dbraw/zinc/75/15/30/387751530.db2.gz FDIARJBZLPSDPY-MNOVXSKESA-N 1 2 221.304 1.437 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C1=CCCC1 ZINC000123410362 387697343 /nfs/dbraw/zinc/69/73/43/387697343.db2.gz CHIFMRYARGIXOC-UHFFFAOYSA-N 1 2 245.326 1.874 20 0 BDADLO CCCCC[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000440779898 387697348 /nfs/dbraw/zinc/69/73/48/387697348.db2.gz FTPYLVMFLIBREF-NSHDSACASA-N 1 2 237.351 1.755 20 0 BDADLO CCCCC[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000440779898 387697351 /nfs/dbraw/zinc/69/73/51/387697351.db2.gz FTPYLVMFLIBREF-NSHDSACASA-N 1 2 237.351 1.755 20 0 BDADLO C[C@H](F)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000356695807 387701697 /nfs/dbraw/zinc/70/16/97/387701697.db2.gz UQQCNNPIDWLKMR-VIFPVBQESA-N 1 2 235.262 1.812 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOC(C)(C)C2)o1 ZINC000377254795 387705387 /nfs/dbraw/zinc/70/53/87/387705387.db2.gz GKLKIXGRSSSNRV-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOC(C)(C)C2)o1 ZINC000377254795 387705394 /nfs/dbraw/zinc/70/53/94/387705394.db2.gz GKLKIXGRSSSNRV-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO C[C@]12CCCC[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC000629614130 387714773 /nfs/dbraw/zinc/71/47/73/387714773.db2.gz YLQDXMQICLZSCM-AAEUAGOBSA-N 1 2 233.315 1.674 20 0 BDADLO COc1nccnc1C[NH2+]Cc1cccnc1C ZINC000527794149 387720484 /nfs/dbraw/zinc/72/04/84/387720484.db2.gz UUMFKESGWAFDLG-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000115576924 387723283 /nfs/dbraw/zinc/72/32/83/387723283.db2.gz GGPMRQBAJAEDFD-LBPRGKRZSA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)NC1CCCC1 ZINC000115576924 387723289 /nfs/dbraw/zinc/72/32/89/387723289.db2.gz GGPMRQBAJAEDFD-LBPRGKRZSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000356822122 387727365 /nfs/dbraw/zinc/72/73/65/387727365.db2.gz LQKGZYARWAVZBW-NXEZZACHSA-N 1 2 207.277 1.318 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000356822122 387727368 /nfs/dbraw/zinc/72/73/68/387727368.db2.gz LQKGZYARWAVZBW-NXEZZACHSA-N 1 2 207.277 1.318 20 0 BDADLO CC[C@@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000188722056 387741162 /nfs/dbraw/zinc/74/11/62/387741162.db2.gz SFDLDQPBNZSAMJ-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO CC[C@@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000188722056 387741168 /nfs/dbraw/zinc/74/11/68/387741168.db2.gz SFDLDQPBNZSAMJ-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO O=C(CC[C@@H]1CCOC1)N1CCn2c[nH+]cc2C1 ZINC000378121899 387765390 /nfs/dbraw/zinc/76/53/90/387765390.db2.gz VFBHSZIDYZGCPW-LLVKDONJSA-N 1 2 249.314 1.042 20 0 BDADLO CCCN(CCC)C(=O)[C@H]([NH3+])c1cscn1 ZINC000422904268 387767765 /nfs/dbraw/zinc/76/77/65/387767765.db2.gz GPLDKWGSWKVCOO-SNVBAGLBSA-N 1 2 241.360 1.792 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000378381439 387780678 /nfs/dbraw/zinc/78/06/78/387780678.db2.gz YTBQGMIQSWBBRA-SNVBAGLBSA-N 1 2 245.286 1.121 20 0 BDADLO CC(C)c1nocc1C(=O)NCCn1cc[nH+]c1 ZINC000527944713 387782364 /nfs/dbraw/zinc/78/23/64/387782364.db2.gz PBTWKSQFNGQYQY-UHFFFAOYSA-N 1 2 248.286 1.425 20 0 BDADLO CC[C@H]([NH2+]Cc1cnnn1CC)c1ccn(C)n1 ZINC000527920042 387790277 /nfs/dbraw/zinc/79/02/77/387790277.db2.gz LBJNSNATHZJDHM-NSHDSACASA-N 1 2 248.334 1.272 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccncc1 ZINC000527925135 387791909 /nfs/dbraw/zinc/79/19/09/387791909.db2.gz UPRTVWRAFWBORI-ZDUSSCGKSA-N 1 2 245.330 1.934 20 0 BDADLO CCn1ncc(CN[C@@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000527924138 387792210 /nfs/dbraw/zinc/79/22/10/387792210.db2.gz PMMFPJWQEHKGID-GXSJLCMTSA-N 1 2 246.318 1.290 20 0 BDADLO COC[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000567288672 387806786 /nfs/dbraw/zinc/80/67/86/387806786.db2.gz WCEAGFHERMLBQE-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO COC[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000567288672 387806790 /nfs/dbraw/zinc/80/67/90/387806790.db2.gz WCEAGFHERMLBQE-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(F)(F)F ZINC000356968588 387756787 /nfs/dbraw/zinc/75/67/87/387756787.db2.gz BWYWODPFNQIBGI-ZETCQYMHSA-N 1 2 249.236 1.799 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC12CCOCC2 ZINC000378014578 387761583 /nfs/dbraw/zinc/76/15/83/387761583.db2.gz XPHGJNZTZCNMHV-LLVKDONJSA-N 1 2 246.310 1.567 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000528040491 387837911 /nfs/dbraw/zinc/83/79/11/387837911.db2.gz NDLXJSILJVOGKB-MNOVXSKESA-N 1 2 234.299 1.705 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C(C)C)o1 ZINC000061760945 387844499 /nfs/dbraw/zinc/84/44/99/387844499.db2.gz RGWONACDRAWZCE-UHFFFAOYSA-N 1 2 238.331 1.887 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C(C)C)o1 ZINC000061760945 387844507 /nfs/dbraw/zinc/84/45/07/387844507.db2.gz RGWONACDRAWZCE-UHFFFAOYSA-N 1 2 238.331 1.887 20 0 BDADLO CCC[C@H](CNc1cc[nH+]c(C)n1)OCC ZINC000528086467 387844988 /nfs/dbraw/zinc/84/49/88/387844988.db2.gz WKDZIWVJQUVBBN-LLVKDONJSA-N 1 2 223.320 1.824 20 0 BDADLO Cn1c[nH+]cc1CSc1nccn2ccnc12 ZINC000433018560 387851250 /nfs/dbraw/zinc/85/12/50/387851250.db2.gz DZRIFSJISSESFH-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCSC ZINC000157632953 387860326 /nfs/dbraw/zinc/86/03/26/387860326.db2.gz GGTXVSYFMZSQQB-MRVPVSSYSA-N 1 2 205.323 1.233 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCSC ZINC000157632953 387860333 /nfs/dbraw/zinc/86/03/33/387860333.db2.gz GGTXVSYFMZSQQB-MRVPVSSYSA-N 1 2 205.323 1.233 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)C(F)F ZINC000452570619 387860749 /nfs/dbraw/zinc/86/07/49/387860749.db2.gz LGIBNUSACWLDEX-UHFFFAOYSA-N 1 2 245.273 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000452573853 387862100 /nfs/dbraw/zinc/86/21/00/387862100.db2.gz YKDNCPYRUWKCKJ-VXNVDRBHSA-N 1 2 243.257 1.420 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](CO)COC(C)C)no1 ZINC000433149666 387870987 /nfs/dbraw/zinc/87/09/87/387870987.db2.gz JQOWYUMMQRBDJF-LBPRGKRZSA-N 1 2 242.319 1.201 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](CO)COC(C)C)no1 ZINC000433149666 387870991 /nfs/dbraw/zinc/87/09/91/387870991.db2.gz JQOWYUMMQRBDJF-LBPRGKRZSA-N 1 2 242.319 1.201 20 0 BDADLO Cn1nnc(C[NH2+]Cc2ccc(Cl)cc2)n1 ZINC000236098121 387872429 /nfs/dbraw/zinc/87/24/29/387872429.db2.gz AZUZTHXRCSSOMZ-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO c1cnc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000564058654 387813757 /nfs/dbraw/zinc/81/37/57/387813757.db2.gz QEINXPCEYADZQJ-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000564058654 387813763 /nfs/dbraw/zinc/81/37/63/387813763.db2.gz QEINXPCEYADZQJ-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCO[C@H]1CCCCO1 ZINC000444622619 387892420 /nfs/dbraw/zinc/89/24/20/387892420.db2.gz HHGJTYJCKAAUEH-JTQLQIEISA-N 1 2 245.319 1.071 20 0 BDADLO O[C@H]1C[NH+](Cc2cccc(F)c2Cl)C[C@@H]1O ZINC000236594006 387897434 /nfs/dbraw/zinc/89/74/34/387897434.db2.gz CLIWNDISDIYCTH-UWVGGRQHSA-N 1 2 245.681 1.017 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H](C)c1nccn1C ZINC000168680630 387898245 /nfs/dbraw/zinc/89/82/45/387898245.db2.gz BCMNAIMQXACDLH-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO CCN1CC[N@H+](CC2=CCCC2)CC1=O ZINC000645857416 387877918 /nfs/dbraw/zinc/87/79/18/387877918.db2.gz DCYOHSDSQVNQEJ-UHFFFAOYSA-N 1 2 208.305 1.261 20 0 BDADLO CCN1CC[N@@H+](CC2=CCCC2)CC1=O ZINC000645857416 387877925 /nfs/dbraw/zinc/87/79/25/387877925.db2.gz DCYOHSDSQVNQEJ-UHFFFAOYSA-N 1 2 208.305 1.261 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000645860501 387880053 /nfs/dbraw/zinc/88/00/53/387880053.db2.gz ROKAIKXGCVMRAZ-ZDUSSCGKSA-N 1 2 235.327 1.777 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000645860501 387880059 /nfs/dbraw/zinc/88/00/59/387880059.db2.gz ROKAIKXGCVMRAZ-ZDUSSCGKSA-N 1 2 235.327 1.777 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000528404106 387887859 /nfs/dbraw/zinc/88/78/59/387887859.db2.gz MDPDEZWSPDTDNF-HJBJALMNSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000528404106 387887865 /nfs/dbraw/zinc/88/78/65/387887865.db2.gz MDPDEZWSPDTDNF-HJBJALMNSA-N 1 2 219.712 1.211 20 0 BDADLO CC[C@@](C)(CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000452729909 387900854 /nfs/dbraw/zinc/90/08/54/387900854.db2.gz OYIOMXXYIBJFJU-NSHDSACASA-N 1 2 225.292 1.263 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)C12CCC2 ZINC000195005106 387902731 /nfs/dbraw/zinc/90/27/31/387902731.db2.gz KRLIIBIMIQJJNK-MXWKQRLJSA-N 1 2 241.331 1.485 20 0 BDADLO COc1ccnc(C[NH2+]Cc2occc2C)n1 ZINC000424186988 387904164 /nfs/dbraw/zinc/90/41/64/387904164.db2.gz IKISSONMYOMPJL-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706766 387912683 /nfs/dbraw/zinc/91/26/83/387912683.db2.gz MWRXXTCUEJBOOJ-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706766 387912684 /nfs/dbraw/zinc/91/26/84/387912684.db2.gz MWRXXTCUEJBOOJ-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCc2ncsc2C1 ZINC000438369343 387931475 /nfs/dbraw/zinc/93/14/75/387931475.db2.gz GIDXOHYLTOMQLE-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCc2ncsc2C1 ZINC000438369343 387931483 /nfs/dbraw/zinc/93/14/83/387931483.db2.gz GIDXOHYLTOMQLE-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CC23CCOCC3)c[nH+]1 ZINC000237988833 387931513 /nfs/dbraw/zinc/93/15/13/387931513.db2.gz CSJACFQKVVEEOS-JTQLQIEISA-N 1 2 247.298 1.419 20 0 BDADLO CC[C@H](C)[N@H+](C)Cc1nsc(N(C)C)n1 ZINC000158137173 387922357 /nfs/dbraw/zinc/92/23/57/387922357.db2.gz NCICXJOHJSGAJY-QMMMGPOBSA-N 1 2 228.365 1.834 20 0 BDADLO CC[C@H](C)[N@@H+](C)Cc1nsc(N(C)C)n1 ZINC000158137173 387922361 /nfs/dbraw/zinc/92/23/61/387922361.db2.gz NCICXJOHJSGAJY-QMMMGPOBSA-N 1 2 228.365 1.834 20 0 BDADLO OCCOCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000424197435 387923929 /nfs/dbraw/zinc/92/39/29/387923929.db2.gz BNRNIXRZZJCCEX-UHFFFAOYSA-N 1 2 247.298 1.531 20 0 BDADLO NC(=O)[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000237907289 387927593 /nfs/dbraw/zinc/92/75/93/387927593.db2.gz JENNANRXYROEMK-LBPRGKRZSA-N 1 2 248.257 1.735 20 0 BDADLO CS[C@H](C)CC(=O)NC1=[NH+]CCS1 ZINC000179127829 387928897 /nfs/dbraw/zinc/92/88/97/387928897.db2.gz YRLYFAIILRGZQJ-ZCFIWIBFSA-N 1 2 218.347 1.347 20 0 BDADLO c1cc(NCC2=CCOCC2)nc(C2CC2)[nH+]1 ZINC000450616485 387945147 /nfs/dbraw/zinc/94/51/47/387945147.db2.gz DMECOEAZEXUTNJ-UHFFFAOYSA-N 1 2 231.299 1.535 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)C1CC1 ZINC000438853327 387958835 /nfs/dbraw/zinc/95/88/35/387958835.db2.gz OTLSCBWSPQKWOJ-WHOHXGKFSA-N 1 2 239.315 1.095 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2CC)C[C@@H](C)O1 ZINC000245569814 387962263 /nfs/dbraw/zinc/96/22/63/387962263.db2.gz WNMIPYFTSSHOAV-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2CC)C[C@@H](C)O1 ZINC000245569814 387962269 /nfs/dbraw/zinc/96/22/69/387962269.db2.gz WNMIPYFTSSHOAV-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@@H](C)CO)cs1 ZINC000158857801 387966858 /nfs/dbraw/zinc/96/68/58/387966858.db2.gz YREQVIHYIGEVRU-VIFPVBQESA-N 1 2 228.361 1.908 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@@H](C)CO)cs1 ZINC000158857801 387966861 /nfs/dbraw/zinc/96/68/61/387966861.db2.gz YREQVIHYIGEVRU-VIFPVBQESA-N 1 2 228.361 1.908 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427243 387970993 /nfs/dbraw/zinc/97/09/93/387970993.db2.gz JSOPJFANZCJSRI-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427243 387970996 /nfs/dbraw/zinc/97/09/96/387970996.db2.gz JSOPJFANZCJSRI-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CCc1ccccc1C[N@H+](C)Cc1nnnn1C ZINC000445816620 387971118 /nfs/dbraw/zinc/97/11/18/387971118.db2.gz BEPPFELIFRXDSI-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CCc1ccccc1C[N@@H+](C)Cc1nnnn1C ZINC000445816620 387971124 /nfs/dbraw/zinc/97/11/24/387971124.db2.gz BEPPFELIFRXDSI-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245544810 387957109 /nfs/dbraw/zinc/95/71/09/387957109.db2.gz SNWUGZKMBZFZHE-NWDGAFQWSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245544810 387957114 /nfs/dbraw/zinc/95/71/14/387957114.db2.gz SNWUGZKMBZFZHE-NWDGAFQWSA-N 1 2 249.358 1.989 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000245545858 387957722 /nfs/dbraw/zinc/95/77/22/387957722.db2.gz UMZOBOMDZSTHOB-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000245545858 387957723 /nfs/dbraw/zinc/95/77/23/387957723.db2.gz UMZOBOMDZSTHOB-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@H](C)[C@H](C)O1 ZINC000446074649 387995808 /nfs/dbraw/zinc/99/58/08/387995808.db2.gz YHNHAFBAEZBZQC-MXWKQRLJSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@H](C)[C@H](C)O1 ZINC000446074649 387995811 /nfs/dbraw/zinc/99/58/11/387995811.db2.gz YHNHAFBAEZBZQC-MXWKQRLJSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@H](C)[C@@H](C)O1 ZINC000446074648 387995821 /nfs/dbraw/zinc/99/58/21/387995821.db2.gz YHNHAFBAEZBZQC-GMTAPVOTSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@H](C)[C@@H](C)O1 ZINC000446074648 387995825 /nfs/dbraw/zinc/99/58/25/387995825.db2.gz YHNHAFBAEZBZQC-GMTAPVOTSA-N 1 2 240.347 1.010 20 0 BDADLO COC[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H](C)O1 ZINC000439275858 387989047 /nfs/dbraw/zinc/98/90/47/387989047.db2.gz QQJDANSRMNTFHV-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H](C)O1 ZINC000439275858 387989049 /nfs/dbraw/zinc/98/90/49/387989049.db2.gz QQJDANSRMNTFHV-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)o1 ZINC000446081402 387997369 /nfs/dbraw/zinc/99/73/69/387997369.db2.gz NPUAZNJEFBPZOG-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)o1 ZINC000446081402 387997372 /nfs/dbraw/zinc/99/73/72/387997372.db2.gz NPUAZNJEFBPZOG-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2[nH+]ccn2C)o1 ZINC000446081845 387997406 /nfs/dbraw/zinc/99/74/06/387997406.db2.gz BXPCRBHHAZNPBW-UHFFFAOYSA-N 1 2 247.254 1.146 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423219762 387999150 /nfs/dbraw/zinc/99/91/50/387999150.db2.gz XJCPBCBSRIHSRB-PSASIEDQSA-N 1 2 241.360 1.551 20 0 BDADLO COCc1noc(C[N@H+](C)CCCSC)n1 ZINC000439471371 387999912 /nfs/dbraw/zinc/99/99/12/387999912.db2.gz PMNCPBHOOTZVQG-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO COCc1noc(C[N@@H+](C)CCCSC)n1 ZINC000439471371 387999917 /nfs/dbraw/zinc/99/99/17/387999917.db2.gz PMNCPBHOOTZVQG-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncnn2CC)CCCO1 ZINC000439484885 388002392 /nfs/dbraw/zinc/00/23/92/388002392.db2.gz GBKUBAVRLUGSHV-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncnn2CC)CCCO1 ZINC000439484885 388002394 /nfs/dbraw/zinc/00/23/94/388002394.db2.gz GBKUBAVRLUGSHV-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)o1 ZINC000249125466 388009285 /nfs/dbraw/zinc/00/92/85/388009285.db2.gz IVLZEMDGJNUEED-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)o1 ZINC000249125466 388009290 /nfs/dbraw/zinc/00/92/90/388009290.db2.gz IVLZEMDGJNUEED-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO Cn1c[nH+]cc1COc1ccc(C(N)=O)cc1 ZINC000439553863 388009249 /nfs/dbraw/zinc/00/92/49/388009249.db2.gz UREZMZWITJSIFZ-UHFFFAOYSA-N 1 2 231.255 1.098 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCOCC(F)(F)F ZINC000156537476 387996155 /nfs/dbraw/zinc/99/61/55/387996155.db2.gz YXWSFKKLBNJADR-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCOCC(F)(F)F ZINC000156537476 387996157 /nfs/dbraw/zinc/99/61/57/387996157.db2.gz YXWSFKKLBNJADR-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1cncc(F)c1 ZINC000439610176 388011831 /nfs/dbraw/zinc/01/18/31/388011831.db2.gz KRLKKFTVKAHASF-UHFFFAOYSA-N 1 2 249.249 1.239 20 0 BDADLO Cc1cc(N2CCC3(C2)CCOCC3)nc[nH+]1 ZINC000439687085 388013058 /nfs/dbraw/zinc/01/30/58/388013058.db2.gz VLRVBFVBBYKPGC-UHFFFAOYSA-N 1 2 233.315 1.792 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC12CCC2 ZINC000440268020 388036476 /nfs/dbraw/zinc/03/64/76/388036476.db2.gz FWLOADBMVCHZMI-NSHDSACASA-N 1 2 245.326 1.601 20 0 BDADLO CCCc1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000083569541 388055491 /nfs/dbraw/zinc/05/54/91/388055491.db2.gz CBSNORGSRWAQJH-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000083569541 388055494 /nfs/dbraw/zinc/05/54/94/388055494.db2.gz CBSNORGSRWAQJH-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCN1C[C@H]([NH2+][C@H](C)c2cc(C)on2)CC1=O ZINC000453355300 388056899 /nfs/dbraw/zinc/05/68/99/388056899.db2.gz LDIMLXHCIDPXPT-NXEZZACHSA-N 1 2 237.303 1.254 20 0 BDADLO CCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000083746923 388061080 /nfs/dbraw/zinc/06/10/80/388061080.db2.gz QIQMGRFHESIFQX-SNVBAGLBSA-N 1 2 217.276 1.289 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)[C@@H]1C ZINC000423281980 388063576 /nfs/dbraw/zinc/06/35/76/388063576.db2.gz VPNLCVAJWHMMJN-NQMVMOMDSA-N 1 2 239.344 1.400 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000440692665 388067214 /nfs/dbraw/zinc/06/72/14/388067214.db2.gz LKYINVIXLVPBMV-BBBLOLIVSA-N 1 2 239.356 1.488 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000440692665 388067216 /nfs/dbraw/zinc/06/72/16/388067216.db2.gz LKYINVIXLVPBMV-BBBLOLIVSA-N 1 2 239.356 1.488 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(Cl)o1 ZINC000084081770 388069991 /nfs/dbraw/zinc/06/99/91/388069991.db2.gz WVJJIDCPVSOREO-UHFFFAOYSA-N 1 2 225.635 1.586 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(Cl)o1 ZINC000084081770 388069994 /nfs/dbraw/zinc/06/99/94/388069994.db2.gz WVJJIDCPVSOREO-UHFFFAOYSA-N 1 2 225.635 1.586 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000440703345 388070240 /nfs/dbraw/zinc/07/02/40/388070240.db2.gz MFYHROUMZITBHP-IUCAKERBSA-N 1 2 225.329 1.099 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000440703345 388070241 /nfs/dbraw/zinc/07/02/41/388070241.db2.gz MFYHROUMZITBHP-IUCAKERBSA-N 1 2 225.329 1.099 20 0 BDADLO C[C@@H](CO)C[NH2+][C@H](c1ncc[nH]1)c1ccccn1 ZINC000447552383 388078374 /nfs/dbraw/zinc/07/83/74/388078374.db2.gz TXCNLMHKIZQGML-PWSUYJOCSA-N 1 2 246.314 1.112 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447827153 388095030 /nfs/dbraw/zinc/09/50/30/388095030.db2.gz NABBXKKVPAPHDN-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447827153 388095032 /nfs/dbraw/zinc/09/50/32/388095032.db2.gz NABBXKKVPAPHDN-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@H]1CC1(C)C ZINC000447876359 388099018 /nfs/dbraw/zinc/09/90/18/388099018.db2.gz CYPUUSPGIKJZSQ-JTQLQIEISA-N 1 2 222.336 1.918 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000447876359 388099020 /nfs/dbraw/zinc/09/90/20/388099020.db2.gz CYPUUSPGIKJZSQ-JTQLQIEISA-N 1 2 222.336 1.918 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](OC)C2)o1 ZINC000170819331 388107231 /nfs/dbraw/zinc/10/72/31/388107231.db2.gz HBDNBOYVDQXDCT-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](OC)C2)o1 ZINC000170819331 388107234 /nfs/dbraw/zinc/10/72/34/388107234.db2.gz HBDNBOYVDQXDCT-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000440497317 388045530 /nfs/dbraw/zinc/04/55/30/388045530.db2.gz VAUIDCDQOIYENB-ISTVAULSSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000440497317 388045534 /nfs/dbraw/zinc/04/55/34/388045534.db2.gz VAUIDCDQOIYENB-ISTVAULSSA-N 1 2 221.341 1.577 20 0 BDADLO CCC[N@@H+](CC(=O)OC)C[C@H](F)CC ZINC000440515378 388048449 /nfs/dbraw/zinc/04/84/49/388048449.db2.gz DGYSKZIPTGSAFG-SECBINFHSA-N 1 2 205.273 1.620 20 0 BDADLO CCC[N@H+](CC(=O)OC)C[C@H](F)CC ZINC000440515378 388048450 /nfs/dbraw/zinc/04/84/50/388048450.db2.gz DGYSKZIPTGSAFG-SECBINFHSA-N 1 2 205.273 1.620 20 0 BDADLO CCC[N@@H+](CC(=O)OC)C[C@@H](F)CC ZINC000440515379 388049974 /nfs/dbraw/zinc/04/99/74/388049974.db2.gz DGYSKZIPTGSAFG-VIFPVBQESA-N 1 2 205.273 1.620 20 0 BDADLO CCC[N@H+](CC(=O)OC)C[C@@H](F)CC ZINC000440515379 388049978 /nfs/dbraw/zinc/04/99/78/388049978.db2.gz DGYSKZIPTGSAFG-VIFPVBQESA-N 1 2 205.273 1.620 20 0 BDADLO Cc1ccccc1C1([NH2+]Cc2cn(C)nn2)CC1 ZINC000645980392 388114119 /nfs/dbraw/zinc/11/41/19/388114119.db2.gz DTVATGYJYLVESA-UHFFFAOYSA-N 1 2 242.326 1.902 20 0 BDADLO CCC(=O)N1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645929044 388169859 /nfs/dbraw/zinc/16/98/59/388169859.db2.gz FQKROHHYPPHVBG-LBPRGKRZSA-N 1 2 240.347 1.315 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645929044 388169861 /nfs/dbraw/zinc/16/98/61/388169861.db2.gz FQKROHHYPPHVBG-LBPRGKRZSA-N 1 2 240.347 1.315 20 0 BDADLO CCC(=O)N1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645929043 388170178 /nfs/dbraw/zinc/17/01/78/388170178.db2.gz FQKROHHYPPHVBG-GFCCVEGCSA-N 1 2 240.347 1.315 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645929043 388170180 /nfs/dbraw/zinc/17/01/80/388170180.db2.gz FQKROHHYPPHVBG-GFCCVEGCSA-N 1 2 240.347 1.315 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nn(C)c3ccccc23)CCO1 ZINC000646254748 388170995 /nfs/dbraw/zinc/17/09/95/388170995.db2.gz VRWZIALLZAQHFS-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nn(C)c3ccccc23)CCO1 ZINC000646254748 388170996 /nfs/dbraw/zinc/17/09/96/388170996.db2.gz VRWZIALLZAQHFS-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646258153 388172098 /nfs/dbraw/zinc/17/20/98/388172098.db2.gz HJGHVTSDPPRKMT-YGOYTEALSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646258153 388172100 /nfs/dbraw/zinc/17/21/00/388172100.db2.gz HJGHVTSDPPRKMT-YGOYTEALSA-N 1 2 249.314 1.108 20 0 BDADLO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C(F)F ZINC000449357732 388181425 /nfs/dbraw/zinc/18/14/25/388181425.db2.gz DDMLPKYIEBNBFM-JTQLQIEISA-N 1 2 242.269 1.919 20 0 BDADLO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C(F)F ZINC000449357733 388181858 /nfs/dbraw/zinc/18/18/58/388181858.db2.gz DDMLPKYIEBNBFM-SNVBAGLBSA-N 1 2 242.269 1.919 20 0 BDADLO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C(F)F ZINC000449366160 388183551 /nfs/dbraw/zinc/18/35/51/388183551.db2.gz XTUYXPKWSISXPS-JTQLQIEISA-N 1 2 242.269 1.919 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1C[C@H]1C ZINC000454453462 388118162 /nfs/dbraw/zinc/11/81/62/388118162.db2.gz ZEPRJSBQLMMITL-KXUCPTDWSA-N 1 2 236.319 1.672 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000448934471 388121543 /nfs/dbraw/zinc/12/15/43/388121543.db2.gz DFHXOTRWFNUBCU-GARJFASQSA-N 1 2 233.315 1.804 20 0 BDADLO C[C@H]1CC[N@@H+]2[C@H](C1)C(=O)NC21CCSCC1 ZINC000249467583 388125141 /nfs/dbraw/zinc/12/51/41/388125141.db2.gz QTKXJTRGZMNVHM-VHSXEESVSA-N 1 2 240.372 1.440 20 0 BDADLO C[C@H]1CC[N@H+]2[C@H](C1)C(=O)NC21CCSCC1 ZINC000249467583 388125145 /nfs/dbraw/zinc/12/51/45/388125145.db2.gz QTKXJTRGZMNVHM-VHSXEESVSA-N 1 2 240.372 1.440 20 0 BDADLO CO[C@@H](C)CSc1nc(N)cc(C)[nH+]1 ZINC000164009020 388125809 /nfs/dbraw/zinc/12/58/09/388125809.db2.gz RXGBWAKTEUULAE-ZETCQYMHSA-N 1 2 213.306 1.494 20 0 BDADLO COCC[NH+](CCOC)Cc1ccncc1F ZINC000449002818 388127124 /nfs/dbraw/zinc/12/71/24/388127124.db2.gz NFTQQTYMAAYXMF-UHFFFAOYSA-N 1 2 242.294 1.316 20 0 BDADLO CC/C=C/CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000454968333 388143583 /nfs/dbraw/zinc/14/35/83/388143583.db2.gz HBCRBQBNNHWHSM-HMDXOVGESA-N 1 2 248.330 1.532 20 0 BDADLO CC/C=C/CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000454968333 388143585 /nfs/dbraw/zinc/14/35/85/388143585.db2.gz HBCRBQBNNHWHSM-HMDXOVGESA-N 1 2 248.330 1.532 20 0 BDADLO CC[C@@H](NC(=O)Nc1cc[nH+]cc1C)C(F)F ZINC000455041795 388146502 /nfs/dbraw/zinc/14/65/02/388146502.db2.gz XQAFRICDQSZWAT-MRVPVSSYSA-N 1 2 243.257 1.977 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449669545 388251047 /nfs/dbraw/zinc/25/10/47/388251047.db2.gz YAMGWRGVEKYDAQ-LPEHRKFASA-N 1 2 231.361 1.668 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccoc1 ZINC000456374207 388197787 /nfs/dbraw/zinc/19/77/87/388197787.db2.gz GBXHFDNLHDWHNP-VIFPVBQESA-N 1 2 233.271 1.987 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C)no1 ZINC000456391221 388198314 /nfs/dbraw/zinc/19/83/14/388198314.db2.gz PMZPJBMYYOUJDD-VIFPVBQESA-N 1 2 248.286 1.690 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456386776 388198812 /nfs/dbraw/zinc/19/88/12/388198812.db2.gz NGPZWWIABDUXAT-NXEZZACHSA-N 1 2 239.319 1.505 20 0 BDADLO CC[N@H+](Cc1ccc(OC)c(O)c1)C1COC1 ZINC000449421716 388200406 /nfs/dbraw/zinc/20/04/06/388200406.db2.gz BDIBILPKDZAZPY-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CC[N@@H+](Cc1ccc(OC)c(O)c1)C1COC1 ZINC000449421716 388200408 /nfs/dbraw/zinc/20/04/08/388200408.db2.gz BDIBILPKDZAZPY-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CC[N@H+](Cc1cnc(N(C)C)s1)C1COC1 ZINC000449428201 388202603 /nfs/dbraw/zinc/20/26/03/388202603.db2.gz USWYJTKUJQZETM-UHFFFAOYSA-N 1 2 241.360 1.430 20 0 BDADLO CC[N@@H+](Cc1cnc(N(C)C)s1)C1COC1 ZINC000449428201 388202605 /nfs/dbraw/zinc/20/26/05/388202605.db2.gz USWYJTKUJQZETM-UHFFFAOYSA-N 1 2 241.360 1.430 20 0 BDADLO CC[N@H+](Cc1cnc2cccc(C)n12)C1COC1 ZINC000449429582 388203661 /nfs/dbraw/zinc/20/36/61/388203661.db2.gz XDEQQNOESCYIAP-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@@H+](Cc1cnc2cccc(C)n12)C1COC1 ZINC000449429582 388203664 /nfs/dbraw/zinc/20/36/64/388203664.db2.gz XDEQQNOESCYIAP-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@H+](Cc1cnc(C(C)(C)C)nc1)C1COC1 ZINC000449430445 388203779 /nfs/dbraw/zinc/20/37/79/388203779.db2.gz ZUDUXKAXCGQJMV-UHFFFAOYSA-N 1 2 249.358 1.995 20 0 BDADLO CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)C1COC1 ZINC000449430445 388203782 /nfs/dbraw/zinc/20/37/82/388203782.db2.gz ZUDUXKAXCGQJMV-UHFFFAOYSA-N 1 2 249.358 1.995 20 0 BDADLO C[N@H+](Cc1nnnn1C(C)(C)C)[C@H]1CC1(C)C ZINC000489436103 388214193 /nfs/dbraw/zinc/21/41/93/388214193.db2.gz LNJHXACGJWTFGE-VIFPVBQESA-N 1 2 237.351 1.658 20 0 BDADLO C[N@@H+](Cc1nnnn1C(C)(C)C)[C@H]1CC1(C)C ZINC000489436103 388214194 /nfs/dbraw/zinc/21/41/94/388214194.db2.gz LNJHXACGJWTFGE-VIFPVBQESA-N 1 2 237.351 1.658 20 0 BDADLO C[N@H+](Cc1nnnn1C1CC1)[C@@H]1CC1(C)C ZINC000489514123 388219256 /nfs/dbraw/zinc/21/92/56/388219256.db2.gz MVBLHFSSYSAZIV-SECBINFHSA-N 1 2 221.308 1.238 20 0 BDADLO C[N@@H+](Cc1nnnn1C1CC1)[C@@H]1CC1(C)C ZINC000489514123 388219258 /nfs/dbraw/zinc/21/92/58/388219258.db2.gz MVBLHFSSYSAZIV-SECBINFHSA-N 1 2 221.308 1.238 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)C1CCCC1 ZINC000456777088 388220415 /nfs/dbraw/zinc/22/04/15/388220415.db2.gz YRALNWODHDLWRV-SECBINFHSA-N 1 2 235.331 1.956 20 0 BDADLO CCCc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000449524703 388223955 /nfs/dbraw/zinc/22/39/55/388223955.db2.gz PDHVWVWNGVJKNA-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000449524703 388223957 /nfs/dbraw/zinc/22/39/57/388223957.db2.gz PDHVWVWNGVJKNA-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CCOC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000449527505 388225238 /nfs/dbraw/zinc/22/52/38/388225238.db2.gz IWAJEGHDVCIAPV-SNVBAGLBSA-N 1 2 229.345 1.377 20 0 BDADLO CCOC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000449527505 388225239 /nfs/dbraw/zinc/22/52/39/388225239.db2.gz IWAJEGHDVCIAPV-SNVBAGLBSA-N 1 2 229.345 1.377 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@H](O)C2(C)C)[nH+]1 ZINC000489903320 388227802 /nfs/dbraw/zinc/22/78/02/388227802.db2.gz YIUOHWAQEQLSQA-ZJUUUORDSA-N 1 2 246.314 1.838 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000489946411 388229125 /nfs/dbraw/zinc/22/91/25/388229125.db2.gz LSTAGJBPKWFZST-MWLCHTKSSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000489946411 388229126 /nfs/dbraw/zinc/22/91/26/388229126.db2.gz LSTAGJBPKWFZST-MWLCHTKSSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@@]1(O)CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000490074173 388233597 /nfs/dbraw/zinc/23/35/97/388233597.db2.gz SQIGQSPFDCHJDP-CYBMUJFWSA-N 1 2 235.331 1.951 20 0 BDADLO CC[C@@H]1CCC[C@@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000490068018 388233733 /nfs/dbraw/zinc/23/37/33/388233733.db2.gz AQGVOXLKQBLPLA-MNOVXSKESA-N 1 2 249.362 1.659 20 0 BDADLO CC[C@@H]1CCC[C@@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000490068018 388233735 /nfs/dbraw/zinc/23/37/35/388233735.db2.gz AQGVOXLKQBLPLA-MNOVXSKESA-N 1 2 249.362 1.659 20 0 BDADLO CC[C@@H](C)N(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000490075656 388233825 /nfs/dbraw/zinc/23/38/25/388233825.db2.gz YBFYGNYZRLTNBU-MRVPVSSYSA-N 1 2 223.324 1.481 20 0 BDADLO CC[C@@H](C)N(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000490075656 388233826 /nfs/dbraw/zinc/23/38/26/388233826.db2.gz YBFYGNYZRLTNBU-MRVPVSSYSA-N 1 2 223.324 1.481 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)no1 ZINC000459425110 388243261 /nfs/dbraw/zinc/24/32/61/388243261.db2.gz RCAZHFZAMRNSJT-AXTRIDKLSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1ccncc1 ZINC000491318730 388284998 /nfs/dbraw/zinc/28/49/98/388284998.db2.gz GMUOIVCGEMBASQ-IHWYPQMZSA-N 1 2 239.278 1.859 20 0 BDADLO CC[C@H]1C[N@H+](CC)CCN1Cc1n[nH]c(C)n1 ZINC000451741328 388292782 /nfs/dbraw/zinc/29/27/82/388292782.db2.gz ODRYGFXYAFLADB-NSHDSACASA-N 1 2 237.351 1.029 20 0 BDADLO CC[C@H]1C[N@@H+](CC)CCN1Cc1n[nH]c(C)n1 ZINC000451741328 388292783 /nfs/dbraw/zinc/29/27/83/388292783.db2.gz ODRYGFXYAFLADB-NSHDSACASA-N 1 2 237.351 1.029 20 0 BDADLO C[C@@H](O)C[N@H+](CC[C@H]1CCCO1)CC(F)F ZINC000451826829 388299003 /nfs/dbraw/zinc/29/90/03/388299003.db2.gz FULLCEONXCMHCH-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H](O)C[N@@H+](CC[C@H]1CCCO1)CC(F)F ZINC000451826829 388299004 /nfs/dbraw/zinc/29/90/04/388299004.db2.gz FULLCEONXCMHCH-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H](O)C[N@H+](CCC(C)(C)O)CC(F)F ZINC000451825589 388299082 /nfs/dbraw/zinc/29/90/82/388299082.db2.gz BMMDGWFNVKYGNH-MRVPVSSYSA-N 1 2 225.279 1.095 20 0 BDADLO C[C@@H](O)C[N@@H+](CCC(C)(C)O)CC(F)F ZINC000451825589 388299084 /nfs/dbraw/zinc/29/90/84/388299084.db2.gz BMMDGWFNVKYGNH-MRVPVSSYSA-N 1 2 225.279 1.095 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000451830888 388299162 /nfs/dbraw/zinc/29/91/62/388299162.db2.gz YUSONZHRSLSSEA-KBPBESRZSA-N 1 2 240.391 1.972 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000451836132 388299994 /nfs/dbraw/zinc/29/99/94/388299994.db2.gz PETKHORQGPBMDS-SECBINFHSA-N 1 2 249.301 1.694 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000451836132 388299995 /nfs/dbraw/zinc/29/99/95/388299995.db2.gz PETKHORQGPBMDS-SECBINFHSA-N 1 2 249.301 1.694 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cscn2)cc[nH+]1 ZINC000491883014 388326109 /nfs/dbraw/zinc/32/61/09/388326109.db2.gz FLJRBUUMKMTZGI-NSCUHMNNSA-N 1 2 245.307 1.920 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)NC1(CCO)CCCC1 ZINC000493840721 256616265 /nfs/dbraw/zinc/61/62/65/256616265.db2.gz WEPKTDGNMJPKCU-ARJAWSKDSA-N 1 2 249.314 1.234 20 0 BDADLO C[N@H+](CC(=O)NCC1CCC1)Cc1ccccn1 ZINC000451369048 388266013 /nfs/dbraw/zinc/26/60/13/388266013.db2.gz ADVXVACJJOKZRX-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO C[N@@H+](CC(=O)NCC1CCC1)Cc1ccccn1 ZINC000451369048 388266015 /nfs/dbraw/zinc/26/60/15/388266015.db2.gz ADVXVACJJOKZRX-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO O=C(/C=C\c1cccnc1)NCCn1cc[nH+]c1 ZINC000491150869 388273298 /nfs/dbraw/zinc/27/32/98/388273298.db2.gz IRPNSEOOXAFEHF-ARJAWSKDSA-N 1 2 242.282 1.108 20 0 BDADLO CCC(O)(CC)CC[NH2+]Cc1ccn[nH]1 ZINC000276227123 388347050 /nfs/dbraw/zinc/34/70/50/388347050.db2.gz MXVBDIAZCHKHOK-UHFFFAOYSA-N 1 2 211.309 1.441 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1ncnn1C ZINC000277015106 388352836 /nfs/dbraw/zinc/35/28/36/388352836.db2.gz YKSLHXRELIKEGV-QMMMGPOBSA-N 1 2 203.249 1.383 20 0 BDADLO CC[C@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000234122571 388353265 /nfs/dbraw/zinc/35/32/65/388353265.db2.gz HBYXXZCKQBQNCV-VIFPVBQESA-N 1 2 230.699 1.285 20 0 BDADLO CC[C@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000234122571 388353266 /nfs/dbraw/zinc/35/32/66/388353266.db2.gz HBYXXZCKQBQNCV-VIFPVBQESA-N 1 2 230.699 1.285 20 0 BDADLO Cc1nnc(N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000290606726 388368574 /nfs/dbraw/zinc/36/85/74/388368574.db2.gz ZSJLUXWDECKPLE-ZETCQYMHSA-N 1 2 207.237 1.075 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H](C1CC1)C1CCC1 ZINC000572720659 388369976 /nfs/dbraw/zinc/36/99/76/388369976.db2.gz FUZVLBDXLUFSGR-AWEZNQCLSA-N 1 2 247.342 1.658 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000572724326 388370533 /nfs/dbraw/zinc/37/05/33/388370533.db2.gz KXRONRMOGUHRNV-MWLCHTKSSA-N 1 2 248.330 1.250 20 0 BDADLO Nc1[nH+]cnc(N2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC000227849536 388372215 /nfs/dbraw/zinc/37/22/15/388372215.db2.gz ZYYTYTLNUCJDPM-OCAPTIKFSA-N 1 2 238.722 1.949 20 0 BDADLO Nc1nc[nH+]c(N2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC000227849536 388372218 /nfs/dbraw/zinc/37/22/18/388372218.db2.gz ZYYTYTLNUCJDPM-OCAPTIKFSA-N 1 2 238.722 1.949 20 0 BDADLO COc1cc(C)nc(NCCn2cc[nH+]c2)n1 ZINC000122371915 388383142 /nfs/dbraw/zinc/38/31/42/388383142.db2.gz FVTHLIHTVMVANG-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BDADLO CC[C@H](CC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000236920698 388386806 /nfs/dbraw/zinc/38/68/06/388386806.db2.gz LSEMGASEMZVWNR-GHMZBOCLSA-N 1 2 214.353 1.864 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000236934301 388386958 /nfs/dbraw/zinc/38/69/58/388386958.db2.gz WSNOPEUNGYMIGG-IWSPIJDZSA-N 1 2 216.350 1.200 20 0 BDADLO O=C(CCc1ccon1)NCCCn1cc[nH+]c1 ZINC000646577550 388387601 /nfs/dbraw/zinc/38/76/01/388387601.db2.gz SDTPXCCQHNGOHZ-UHFFFAOYSA-N 1 2 248.286 1.010 20 0 BDADLO Cc1cc(NC[C@@]2(O)CCC[C@H]2C)nc[nH+]1 ZINC000328194210 388406246 /nfs/dbraw/zinc/40/62/46/388406246.db2.gz QYEFVXBOPLYAPJ-SKDRFNHKSA-N 1 2 221.304 1.748 20 0 BDADLO CC[C@@H](C)[C@H](C[NH2+]Cc1ccn[nH]1)OC ZINC000294290845 388397760 /nfs/dbraw/zinc/39/77/60/388397760.db2.gz UECNNXDSVISQOO-KOLCDFICSA-N 1 2 211.309 1.560 20 0 BDADLO Cc1ccnc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000328065384 388400071 /nfs/dbraw/zinc/40/00/71/388400071.db2.gz CKHXGIWGLNDLLX-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1ccnc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000328065384 388400074 /nfs/dbraw/zinc/40/00/74/388400074.db2.gz CKHXGIWGLNDLLX-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)C1CCC1 ZINC000492258843 388339692 /nfs/dbraw/zinc/33/96/92/388339692.db2.gz IGODYJDZVCFVNM-FPLPWBNLSA-N 1 2 233.315 1.927 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H](C)C1 ZINC000492280552 388340055 /nfs/dbraw/zinc/34/00/55/388340055.db2.gz XSIOZFFNPIASTO-DOGVGXBMSA-N 1 2 233.315 1.785 20 0 BDADLO CCOC(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000492279032 388340062 /nfs/dbraw/zinc/34/00/62/388340062.db2.gz UETAULYALCRIDZ-UHFFFAOYSA-N 1 2 230.283 1.263 20 0 BDADLO CS[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000299212647 388440497 /nfs/dbraw/zinc/44/04/97/388440497.db2.gz HAECOKBLWKNKQL-SECBINFHSA-N 1 2 239.344 1.361 20 0 BDADLO Cc1nocc1C[NH2+]Cc1nccs1 ZINC000339185438 388480335 /nfs/dbraw/zinc/48/03/35/388480335.db2.gz KVEPUEFLSMGPDE-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CC[N@H+](CC1(F)CC1)[C@@H](C)CS(C)(=O)=O ZINC000525978700 388442195 /nfs/dbraw/zinc/44/21/95/388442195.db2.gz UGMPTJSBTCDTPS-VIFPVBQESA-N 1 2 237.340 1.244 20 0 BDADLO CC[N@@H+](CC1(F)CC1)[C@@H](C)CS(C)(=O)=O ZINC000525978700 388442196 /nfs/dbraw/zinc/44/21/96/388442196.db2.gz UGMPTJSBTCDTPS-VIFPVBQESA-N 1 2 237.340 1.244 20 0 BDADLO CC(F)(F)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000330382604 388443621 /nfs/dbraw/zinc/44/36/21/388443621.db2.gz XMLUWAPNPIVMTO-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO CO[C@H](C)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000330363638 388443879 /nfs/dbraw/zinc/44/38/79/388443879.db2.gz NAOICMHJTNMISQ-SSDOTTSWSA-N 1 2 213.281 1.238 20 0 BDADLO Cc1cc(C)c(CNC(=O)NC(C)C)c[nH+]1 ZINC000335422075 388451056 /nfs/dbraw/zinc/45/10/56/388451056.db2.gz NETIYEMEQOZRPJ-UHFFFAOYSA-N 1 2 221.304 1.906 20 0 BDADLO FC1(C[NH2+]Cc2ncnn2-c2ccccc2)CC1 ZINC000525995727 388452979 /nfs/dbraw/zinc/45/29/79/388452979.db2.gz UYWAQDJWKBQPNF-UHFFFAOYSA-N 1 2 246.289 1.859 20 0 BDADLO Cc1[nH]nc(NC(=O)CCc2c[nH+]cn2C)c1C ZINC000526007570 388455081 /nfs/dbraw/zinc/45/50/81/388455081.db2.gz HHCWQYSDEZDGBM-UHFFFAOYSA-N 1 2 247.302 1.331 20 0 BDADLO Cc1cc(C)c(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000176598113 388455231 /nfs/dbraw/zinc/45/52/31/388455231.db2.gz UPDKKRQYMRNAOX-UHFFFAOYSA-N 1 2 233.271 1.592 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000649215394 388459622 /nfs/dbraw/zinc/45/96/22/388459622.db2.gz KZCKNEPWOBQCTO-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)OC ZINC000336728847 388469794 /nfs/dbraw/zinc/46/97/94/388469794.db2.gz INYASBOZDIIWSM-BQBZGAKWSA-N 1 2 227.226 1.869 20 0 BDADLO c1ccc(NCCCNc2cnccn2)[nH+]c1 ZINC000194023171 388474952 /nfs/dbraw/zinc/47/49/52/388474952.db2.gz NEVNDOABOBZJNW-UHFFFAOYSA-N 1 2 229.287 1.786 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccncc1 ZINC000649267262 388477525 /nfs/dbraw/zinc/47/75/25/388477525.db2.gz HPFMBEBTPFZDHZ-IJLUTSLNSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccncc1 ZINC000649267262 388477528 /nfs/dbraw/zinc/47/75/28/388477528.db2.gz HPFMBEBTPFZDHZ-IJLUTSLNSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nccn1C(F)F ZINC000295062621 388407429 /nfs/dbraw/zinc/40/74/29/388407429.db2.gz QKSQPFGYQQRISS-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nccn1C(F)F ZINC000295062621 388407432 /nfs/dbraw/zinc/40/74/32/388407432.db2.gz QKSQPFGYQQRISS-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295717067 388413313 /nfs/dbraw/zinc/41/33/13/388413313.db2.gz NHKKPOWDQCGBLH-BCMRRPTOSA-N 1 2 209.293 1.374 20 0 BDADLO c1csc(C[NH2+]Cc2ccccn2)n1 ZINC000040443999 388415750 /nfs/dbraw/zinc/41/57/50/388415750.db2.gz BNTVTBZTVNJMTC-UHFFFAOYSA-N 1 2 205.286 1.828 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573107591 388420888 /nfs/dbraw/zinc/42/08/88/388420888.db2.gz YZGIKILMZUHLAK-RKDXNWHRSA-N 1 2 225.292 1.402 20 0 BDADLO CC[C@@H](CSC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193754482 388426805 /nfs/dbraw/zinc/42/68/05/388426805.db2.gz VEJGTUHYFSEAMU-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO CC[C@@H](CSC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193754482 388426808 /nfs/dbraw/zinc/42/68/08/388426808.db2.gz VEJGTUHYFSEAMU-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO COCCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000517241918 388544999 /nfs/dbraw/zinc/54/49/99/388544999.db2.gz WYHHTAXRXDDNGG-UHFFFAOYSA-N 1 2 239.319 1.496 20 0 BDADLO CCCN(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000136720732 388546757 /nfs/dbraw/zinc/54/67/57/388546757.db2.gz QIQWVNCKXULYDN-VOTSOKGWSA-N 1 2 221.304 1.785 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccc(N)n2)CCS1 ZINC000135110913 388483788 /nfs/dbraw/zinc/48/37/88/388483788.db2.gz BKAOJJXJEIVYOZ-VIFPVBQESA-N 1 2 238.360 1.386 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccc(N)n2)CCS1 ZINC000135110913 388483790 /nfs/dbraw/zinc/48/37/90/388483790.db2.gz BKAOJJXJEIVYOZ-VIFPVBQESA-N 1 2 238.360 1.386 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000648901864 388487106 /nfs/dbraw/zinc/48/71/06/388487106.db2.gz FLVDQCVAQXLATG-GWCFXTLKSA-N 1 2 248.330 1.250 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)no1 ZINC000341038639 388495347 /nfs/dbraw/zinc/49/53/47/388495347.db2.gz CKPBJFYBCQQOLH-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)no1 ZINC000341038639 388495350 /nfs/dbraw/zinc/49/53/50/388495350.db2.gz CKPBJFYBCQQOLH-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1cnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000547970332 388499546 /nfs/dbraw/zinc/49/95/46/388499546.db2.gz CYSWRLNIQDMFOM-JTQLQIEISA-N 1 2 222.288 1.194 20 0 BDADLO CCc1cnc(C[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000547970332 388499548 /nfs/dbraw/zinc/49/95/48/388499548.db2.gz CYSWRLNIQDMFOM-JTQLQIEISA-N 1 2 222.288 1.194 20 0 BDADLO CC(C)NC(=O)NCC[N@@H+]1CCC=C(F)C1 ZINC000576820589 388507191 /nfs/dbraw/zinc/50/71/91/388507191.db2.gz ULODFBGLURATGV-UHFFFAOYSA-N 1 2 229.299 1.253 20 0 BDADLO CC(C)NC(=O)NCC[N@H+]1CCC=C(F)C1 ZINC000576820589 388507195 /nfs/dbraw/zinc/50/71/95/388507195.db2.gz ULODFBGLURATGV-UHFFFAOYSA-N 1 2 229.299 1.253 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cnn(C)c1 ZINC000345346711 388511712 /nfs/dbraw/zinc/51/17/12/388511712.db2.gz CTUJTRLMSYMSNE-JBLDHEPKSA-N 1 2 245.330 1.973 20 0 BDADLO CN1c2ccccc2C(=O)N[C@@H]1c1c[nH]c[nH+]1 ZINC000078752607 388512176 /nfs/dbraw/zinc/51/21/76/388512176.db2.gz UAPJSSHCMJQPKG-NSHDSACASA-N 1 2 228.255 1.288 20 0 BDADLO CN1c2ccccc2C(=O)N[C@H]1c1c[nH]c[nH+]1 ZINC000078752613 388512548 /nfs/dbraw/zinc/51/25/48/388512548.db2.gz UAPJSSHCMJQPKG-LLVKDONJSA-N 1 2 228.255 1.288 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000528400767 388519366 /nfs/dbraw/zinc/51/93/66/388519366.db2.gz PSNZEPLWPSHYBF-WEVVVXLNSA-N 1 2 230.739 1.682 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000528400767 388519370 /nfs/dbraw/zinc/51/93/70/388519370.db2.gz PSNZEPLWPSHYBF-WEVVVXLNSA-N 1 2 230.739 1.682 20 0 BDADLO Cc1c(NC(=O)[C@H](C)[NH+]2CC(C)C2)cnn1C ZINC000520835008 388520039 /nfs/dbraw/zinc/52/00/39/388520039.db2.gz UYAFIPRGTQFZMT-JTQLQIEISA-N 1 2 236.319 1.007 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cocn1 ZINC000346848123 388520436 /nfs/dbraw/zinc/52/04/36/388520436.db2.gz FCOKTMACXWWOQY-NSHDSACASA-N 1 2 232.287 1.575 20 0 BDADLO C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000516861235 388520665 /nfs/dbraw/zinc/52/06/65/388520665.db2.gz CPCDAJXHDSDBES-HZSPNIEDSA-N 1 2 239.407 1.578 20 0 BDADLO CC[C@@H](C)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528416910 388522689 /nfs/dbraw/zinc/52/26/89/388522689.db2.gz QNURAAKVISEDQW-SECBINFHSA-N 1 2 245.344 1.913 20 0 BDADLO CC[C@@H](C)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528416910 388522691 /nfs/dbraw/zinc/52/26/91/388522691.db2.gz QNURAAKVISEDQW-SECBINFHSA-N 1 2 245.344 1.913 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1C/C=C(/C)Cl ZINC000528434709 388524718 /nfs/dbraw/zinc/52/47/18/388524718.db2.gz XNQTUZLADLQYMB-BSKOKIOFSA-N 1 2 230.739 1.730 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C=C(/C)Cl ZINC000528434709 388524723 /nfs/dbraw/zinc/52/47/23/388524723.db2.gz XNQTUZLADLQYMB-BSKOKIOFSA-N 1 2 230.739 1.730 20 0 BDADLO C/C(Cl)=C\C[NH2+][C@H](C)c1ncn(C)n1 ZINC000528464747 388526518 /nfs/dbraw/zinc/52/65/18/388526518.db2.gz FMYYGVNJPYTVHW-RXLGXGPVSA-N 1 2 214.700 1.608 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000528453483 388528929 /nfs/dbraw/zinc/52/89/29/388528929.db2.gz OGFKLFODONGZCQ-KJQCOJPZSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000528453483 388528931 /nfs/dbraw/zinc/52/89/31/388528931.db2.gz OGFKLFODONGZCQ-KJQCOJPZSA-N 1 2 231.723 1.620 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351838235 388534299 /nfs/dbraw/zinc/53/42/99/388534299.db2.gz YINAUPGPPFJLQJ-BDAKNGLRSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351838235 388534301 /nfs/dbraw/zinc/53/43/01/388534301.db2.gz YINAUPGPPFJLQJ-BDAKNGLRSA-N 1 2 225.292 1.006 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424605 388536698 /nfs/dbraw/zinc/53/66/98/388536698.db2.gz AYEPPCOIYMYSFC-GJMOJQLCSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424605 388536701 /nfs/dbraw/zinc/53/67/01/388536701.db2.gz AYEPPCOIYMYSFC-GJMOJQLCSA-N 1 2 238.253 1.536 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000219575888 388595316 /nfs/dbraw/zinc/59/53/16/388595316.db2.gz PQXFQSWXVCEYQK-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000219575888 388595320 /nfs/dbraw/zinc/59/53/20/388595320.db2.gz PQXFQSWXVCEYQK-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000649315615 388604269 /nfs/dbraw/zinc/60/42/69/388604269.db2.gz MUPPOFPZFIJKSQ-NEPJUHHUSA-N 1 2 239.315 1.814 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000649315615 388604271 /nfs/dbraw/zinc/60/42/71/388604271.db2.gz MUPPOFPZFIJKSQ-NEPJUHHUSA-N 1 2 239.315 1.814 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC(C)(C)C1CC1 ZINC000356502775 388608322 /nfs/dbraw/zinc/60/83/22/388608322.db2.gz HRBXICIKASXYEI-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO CCn1nc(C)cc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000530129343 388614476 /nfs/dbraw/zinc/61/44/76/388614476.db2.gz KILDHJDYFNJVBU-UHFFFAOYSA-N 1 2 247.302 1.424 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@H]1CCCC[C@H]1O ZINC000246048087 388614637 /nfs/dbraw/zinc/61/46/37/388614637.db2.gz XSVPDAJZWCNHAF-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@H]1CCCC[C@H]1O ZINC000246048087 388614639 /nfs/dbraw/zinc/61/46/39/388614639.db2.gz XSVPDAJZWCNHAF-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000517554064 388553358 /nfs/dbraw/zinc/55/33/58/388553358.db2.gz GXIBKSQMYVMQTF-QMMMGPOBSA-N 1 2 227.333 1.305 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cncc(F)c1 ZINC000358999187 388556216 /nfs/dbraw/zinc/55/62/16/388556216.db2.gz YHQWBGDIKHPNNC-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NCC(F)(F)F ZINC000548754920 388557023 /nfs/dbraw/zinc/55/70/23/388557023.db2.gz XWGFKCCJRDZQQW-RNFRBKRXSA-N 1 2 224.226 1.148 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000528733545 388560328 /nfs/dbraw/zinc/56/03/28/388560328.db2.gz WFOSFQQONCMKLY-GFCCVEGCSA-N 1 2 241.356 1.985 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000528733545 388560331 /nfs/dbraw/zinc/56/03/31/388560331.db2.gz WFOSFQQONCMKLY-GFCCVEGCSA-N 1 2 241.356 1.985 20 0 BDADLO CCOC1(C)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000521210570 388564555 /nfs/dbraw/zinc/56/45/55/388564555.db2.gz OQEJHHRJJYDZMI-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO CCOC1(C)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000521210570 388564556 /nfs/dbraw/zinc/56/45/56/388564556.db2.gz OQEJHHRJJYDZMI-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1conc1C(C)C ZINC000528741019 388564911 /nfs/dbraw/zinc/56/49/11/388564911.db2.gz LVMYWXICCSSPBR-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC(F)(F)C[C@H]2C)[nH]1 ZINC000528775353 388571728 /nfs/dbraw/zinc/57/17/28/388571728.db2.gz XOOCGMBOYZTZKW-MRVPVSSYSA-N 1 2 244.289 1.987 20 0 BDADLO CCc1nnc(C[N@H+]2CCC(F)(F)C[C@H]2C)[nH]1 ZINC000528775353 388571729 /nfs/dbraw/zinc/57/17/29/388571729.db2.gz XOOCGMBOYZTZKW-MRVPVSSYSA-N 1 2 244.289 1.987 20 0 BDADLO C([NH2+]C1(C2CC2)CC1)c1noc(C2CC2)n1 ZINC000381357163 388571937 /nfs/dbraw/zinc/57/19/37/388571937.db2.gz DARORGGDRPOGET-UHFFFAOYSA-N 1 2 219.288 1.979 20 0 BDADLO Cc1cc(NC(=O)/C=C/c2ccncn2)cc[nH+]1 ZINC000185256354 388585229 /nfs/dbraw/zinc/58/52/29/388585229.db2.gz FSFDWIDLFBTUBX-NSCUHMNNSA-N 1 2 240.266 1.832 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C)cn1 ZINC000552135138 388673190 /nfs/dbraw/zinc/67/31/90/388673190.db2.gz VZGWPEOJEOPTNQ-AWEZNQCLSA-N 1 2 233.359 1.916 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(C)cn1 ZINC000552135138 388673193 /nfs/dbraw/zinc/67/31/93/388673193.db2.gz VZGWPEOJEOPTNQ-AWEZNQCLSA-N 1 2 233.359 1.916 20 0 BDADLO Cc1cc(NC(=O)c2cncc(F)c2)c(C)c[nH+]1 ZINC000522019823 388674603 /nfs/dbraw/zinc/67/46/03/388674603.db2.gz AHTYWYBXKFZAAP-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@@H](C)CC2)[nH]1 ZINC000192191576 388676825 /nfs/dbraw/zinc/67/68/25/388676825.db2.gz GBZXIQJOTSBBEI-VIFPVBQESA-N 1 2 240.376 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@@H](C)CC2)[nH]1 ZINC000192191576 388676827 /nfs/dbraw/zinc/67/68/27/388676827.db2.gz GBZXIQJOTSBBEI-VIFPVBQESA-N 1 2 240.376 1.695 20 0 BDADLO O=C(Nc1ccccn1)N1CC(n2cc[nH+]c2)C1 ZINC000538265387 388682127 /nfs/dbraw/zinc/68/21/27/388682127.db2.gz CIYJGSSGHBBKFY-UHFFFAOYSA-N 1 2 243.270 1.367 20 0 BDADLO NC(=O)c1coc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000189422154 388633434 /nfs/dbraw/zinc/63/34/34/388633434.db2.gz XUFSUZSRQHRAHZ-UHFFFAOYSA-N 1 2 246.266 1.374 20 0 BDADLO C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H](C)C(=O)[O-] ZINC000086300829 388684630 /nfs/dbraw/zinc/68/46/30/388684630.db2.gz QRMPKQWDUGKPBK-QWRGUYRKSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@@H]1OCC[N@H+](CCOCC(F)F)[C@H]1C ZINC000189564621 388638660 /nfs/dbraw/zinc/63/86/60/388638660.db2.gz BQSTZNLKOOODEI-IUCAKERBSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@@H]1OCC[N@@H+](CCOCC(F)F)[C@H]1C ZINC000189564621 388638662 /nfs/dbraw/zinc/63/86/62/388638662.db2.gz BQSTZNLKOOODEI-IUCAKERBSA-N 1 2 223.263 1.377 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OCC ZINC000328408871 388642459 /nfs/dbraw/zinc/64/24/59/388642459.db2.gz UPLQFJRBLMAYHW-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1[nH+]c(C)ccc1OCc1cn(C)nn1 ZINC000530383625 388653294 /nfs/dbraw/zinc/65/32/94/388653294.db2.gz IMGLVHFJGPBGJE-UHFFFAOYSA-N 1 2 232.287 1.660 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000219135664 388654828 /nfs/dbraw/zinc/65/48/28/388654828.db2.gz AQLWTOLBFQTIJC-SECBINFHSA-N 1 2 217.276 1.359 20 0 BDADLO CC[C@](C)(OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530423480 388655331 /nfs/dbraw/zinc/65/53/31/388655331.db2.gz PNTBTQQWWCYMJS-LBPRGKRZSA-N 1 2 237.303 1.082 20 0 BDADLO CC[C@H](SC)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000127927041 388734010 /nfs/dbraw/zinc/73/40/10/388734010.db2.gz MSHBLNGWUFPVEX-NSHDSACASA-N 1 2 242.388 1.435 20 0 BDADLO CC[C@H]1CC[C@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000552875671 388739738 /nfs/dbraw/zinc/73/97/38/388739738.db2.gz AZBBCMXAIAGDEL-QWRGUYRKSA-N 1 2 221.304 1.673 20 0 BDADLO Cc1occc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522265612 388740597 /nfs/dbraw/zinc/74/05/97/388740597.db2.gz DAOWXTKSUASANJ-UHFFFAOYSA-N 1 2 231.255 1.482 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CCN2CCCCC2)CC[N@H+]1C ZINC000128218004 388740942 /nfs/dbraw/zinc/74/09/42/388740942.db2.gz YUVQGINIXMYXRM-UONOGXRCSA-N 1 2 239.407 1.545 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)CC[N@H+]1C ZINC000128218238 388741595 /nfs/dbraw/zinc/74/15/95/388741595.db2.gz YUVQGINIXMYXRM-KGLIPLIRSA-N 1 2 239.407 1.545 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000128270746 388743155 /nfs/dbraw/zinc/74/31/55/388743155.db2.gz LAVFBJKQMGDASG-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000128270746 388743157 /nfs/dbraw/zinc/74/31/57/388743157.db2.gz LAVFBJKQMGDASG-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cnccn1 ZINC000539063522 388746198 /nfs/dbraw/zinc/74/61/98/388746198.db2.gz JIDCHFITGGUFHH-MWLCHTKSSA-N 1 2 243.314 1.928 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(C)(C)C ZINC000522346630 388752272 /nfs/dbraw/zinc/75/22/72/388752272.db2.gz YYVDTUUPALPNJW-SNVBAGLBSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CC(C)(C)C2)ccc1O ZINC000553198013 388753085 /nfs/dbraw/zinc/75/30/85/388753085.db2.gz NUEZAHNMPAWQRS-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO CCC[N@H+](Cc1ncnn1CC)C1CC1 ZINC000193333775 388700353 /nfs/dbraw/zinc/70/03/53/388700353.db2.gz ZPTTYUSLEZNSOT-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO CCC[N@@H+](Cc1ncnn1CC)C1CC1 ZINC000193333775 388700354 /nfs/dbraw/zinc/70/03/54/388700354.db2.gz ZPTTYUSLEZNSOT-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(CO)o1 ZINC000538731831 388715022 /nfs/dbraw/zinc/71/50/22/388715022.db2.gz RDZKPYGXDDGCHF-UHFFFAOYSA-N 1 2 221.260 1.127 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(CO)o1 ZINC000538731831 388715024 /nfs/dbraw/zinc/71/50/24/388715024.db2.gz RDZKPYGXDDGCHF-UHFFFAOYSA-N 1 2 221.260 1.127 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249383696 388719850 /nfs/dbraw/zinc/71/98/50/388719850.db2.gz QUMDCUFKYWOFNV-IJLUTSLNSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249383696 388719851 /nfs/dbraw/zinc/71/98/51/388719851.db2.gz QUMDCUFKYWOFNV-IJLUTSLNSA-N 1 2 236.315 1.224 20 0 BDADLO COCCC[N@H+](C)Cc1nc(C2CC2)no1 ZINC000127285742 388720867 /nfs/dbraw/zinc/72/08/67/388720867.db2.gz ALLQYLJUFWLRBE-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000127285742 388720870 /nfs/dbraw/zinc/72/08/70/388720870.db2.gz ALLQYLJUFWLRBE-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000226594969 388724027 /nfs/dbraw/zinc/72/40/27/388724027.db2.gz DCZKRGWNUJTVTD-HBNTYKKESA-N 1 2 243.347 1.323 20 0 BDADLO Cc1cc(N[C@H](C)c2cn[nH]c2)nc[nH+]1 ZINC000229871981 388801825 /nfs/dbraw/zinc/80/18/25/388801825.db2.gz QWPACFDTSXXHQT-MRVPVSSYSA-N 1 2 203.249 1.681 20 0 BDADLO C[C@@H]([NH2+]Cc1nccs1)c1cn[nH]c1 ZINC000229881551 388802712 /nfs/dbraw/zinc/80/27/12/388802712.db2.gz YLUFFSZNEUUQNM-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CCOC2)c1Cl ZINC000227848607 388760515 /nfs/dbraw/zinc/76/05/15/388760515.db2.gz KMLNCMYOIDGQSC-LURJTMIESA-N 1 2 228.683 1.161 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CCOC2)c1Cl ZINC000227848607 388760519 /nfs/dbraw/zinc/76/05/19/388760519.db2.gz KMLNCMYOIDGQSC-LURJTMIESA-N 1 2 228.683 1.161 20 0 BDADLO C[N@H+](Cc1csnn1)[C@@H](CO)C(C)(C)C ZINC000128455758 388761813 /nfs/dbraw/zinc/76/18/13/388761813.db2.gz NZTBNVKSFKMDGQ-VIFPVBQESA-N 1 2 229.349 1.377 20 0 BDADLO C[N@@H+](Cc1csnn1)[C@@H](CO)C(C)(C)C ZINC000128455758 388761818 /nfs/dbraw/zinc/76/18/18/388761818.db2.gz NZTBNVKSFKMDGQ-VIFPVBQESA-N 1 2 229.349 1.377 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H]1C ZINC000553393690 388768772 /nfs/dbraw/zinc/76/87/72/388768772.db2.gz RXJGHSLCOXEJNO-CBAPKCEASA-N 1 2 207.277 1.175 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[C@@H]1C ZINC000553393690 388768773 /nfs/dbraw/zinc/76/87/73/388768773.db2.gz RXJGHSLCOXEJNO-CBAPKCEASA-N 1 2 207.277 1.175 20 0 BDADLO C[C@H]1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)CCO1 ZINC000540658239 388812627 /nfs/dbraw/zinc/81/26/27/388812627.db2.gz HVFKUPKCHQSBQV-QWRGUYRKSA-N 1 2 249.314 1.082 20 0 BDADLO O=c1[nH]nc(C[N@@H+](C2CC2)C2CCCC2)[nH]1 ZINC000092618590 388812971 /nfs/dbraw/zinc/81/29/71/388812971.db2.gz UHMNDCSAOAIHRQ-UHFFFAOYSA-N 1 2 222.292 1.005 20 0 BDADLO CO[C@H](C)CCNc1nc(C)[nH+]cc1C ZINC000564225585 388788466 /nfs/dbraw/zinc/78/84/66/388788466.db2.gz IWAWCUFKMKELAR-SECBINFHSA-N 1 2 209.293 1.352 20 0 BDADLO O=C(Cc1ccsc1)NCCc1[nH]cc[nH+]1 ZINC000128717805 388789452 /nfs/dbraw/zinc/78/94/52/388789452.db2.gz KFXFOJICECYWAQ-UHFFFAOYSA-N 1 2 235.312 1.373 20 0 BDADLO Cn1cc[nH+]c1CN[C@@H](C1CC1)C(F)(F)F ZINC000288543900 388790417 /nfs/dbraw/zinc/79/04/17/388790417.db2.gz WXTZIGQUCRUSCE-VIFPVBQESA-N 1 2 233.237 1.851 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000252921584 388791056 /nfs/dbraw/zinc/79/10/56/388791056.db2.gz HHJSRFHQEVXSCS-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000252921584 388791058 /nfs/dbraw/zinc/79/10/58/388791058.db2.gz HHJSRFHQEVXSCS-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000555228456 388843724 /nfs/dbraw/zinc/84/37/24/388843724.db2.gz QEROCYWKVWBGDH-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000555228456 388843727 /nfs/dbraw/zinc/84/37/27/388843727.db2.gz QEROCYWKVWBGDH-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)n1cc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000554485004 388817798 /nfs/dbraw/zinc/81/77/98/388817798.db2.gz FAUVXVVPQKNFOV-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ncccc2O)no1 ZINC000554849617 388833925 /nfs/dbraw/zinc/83/39/25/388833925.db2.gz YAGZHOFYSZHRSN-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ncccc2O)no1 ZINC000554849617 388833931 /nfs/dbraw/zinc/83/39/31/388833931.db2.gz YAGZHOFYSZHRSN-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC2CC2)nc1 ZINC000129356972 388834069 /nfs/dbraw/zinc/83/40/69/388834069.db2.gz WGQPNBBXCKQNIS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC2CC2)nc1 ZINC000129356972 388834073 /nfs/dbraw/zinc/83/40/73/388834073.db2.gz WGQPNBBXCKQNIS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000555215676 388842401 /nfs/dbraw/zinc/84/24/01/388842401.db2.gz OLBZHUZFNLKQJV-VIFPVBQESA-N 1 2 207.277 1.140 20 0 BDADLO COc1ccc(F)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000555549541 388853446 /nfs/dbraw/zinc/85/34/46/388853446.db2.gz BANAIGAMSBEFES-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO CSC[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000541552368 388857027 /nfs/dbraw/zinc/85/70/27/388857027.db2.gz HLKNCDMPJXTYFG-VIFPVBQESA-N 1 2 241.360 1.078 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000555926201 388863409 /nfs/dbraw/zinc/86/34/09/388863409.db2.gz CEYRECZBMGWLIB-NEPJUHHUSA-N 1 2 233.327 1.860 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000555926201 388863412 /nfs/dbraw/zinc/86/34/12/388863412.db2.gz CEYRECZBMGWLIB-NEPJUHHUSA-N 1 2 233.327 1.860 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)o2)cn1 ZINC000541689322 388864843 /nfs/dbraw/zinc/86/48/43/388864843.db2.gz XNSOUGSJTWNNMH-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO C[C@@H](c1ccncc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000564639724 388881217 /nfs/dbraw/zinc/88/12/17/388881217.db2.gz HHIUTAGBUNIIJP-NSHDSACASA-N 1 2 244.298 1.498 20 0 BDADLO C[C@@H]1SCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000649173632 388889822 /nfs/dbraw/zinc/88/98/22/388889822.db2.gz WGTBUJNYFBHMCF-IUCAKERBSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1SCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000649173630 388890351 /nfs/dbraw/zinc/89/03/51/388890351.db2.gz WGTBUJNYFBHMCF-BDAKNGLRSA-N 1 2 239.344 1.353 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000565048903 388911200 /nfs/dbraw/zinc/91/12/00/388911200.db2.gz WKGCFMQSUPXNMU-QWRGUYRKSA-N 1 2 243.347 1.469 20 0 BDADLO CC(C)(NC(=O)c1ccco1)c1[nH]cc[nH+]1 ZINC000565108729 388916567 /nfs/dbraw/zinc/91/65/67/388916567.db2.gz MYOJAUWZPRDPBH-UHFFFAOYSA-N 1 2 219.244 1.668 20 0 BDADLO CCn1ccc(C[NH2+][C@@H](C)c2cncnc2C)n1 ZINC000565219739 388927838 /nfs/dbraw/zinc/92/78/38/388927838.db2.gz YZQMCOYGNSCLOF-JTQLQIEISA-N 1 2 245.330 1.852 20 0 BDADLO CCOC[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000565227979 388929780 /nfs/dbraw/zinc/92/97/80/388929780.db2.gz CLVTUQMZOOXPIA-LBPRGKRZSA-N 1 2 235.331 1.956 20 0 BDADLO c1ccc(N2CCOC3(CCC3)C2)[nH+]c1 ZINC000270838750 132197453 /nfs/dbraw/zinc/19/74/53/132197453.db2.gz VTKIHVYNJXBNBK-UHFFFAOYSA-N 1 2 204.273 1.841 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(F)(F)F ZINC000565665079 388962211 /nfs/dbraw/zinc/96/22/11/388962211.db2.gz JMMBRPKATVNFNH-LURJTMIESA-N 1 2 235.209 1.267 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)(F)F ZINC000565665079 388962208 /nfs/dbraw/zinc/96/22/08/388962208.db2.gz JMMBRPKATVNFNH-LURJTMIESA-N 1 2 235.209 1.267 20 0 BDADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1cncc(F)c1 ZINC000565900355 388977883 /nfs/dbraw/zinc/97/78/83/388977883.db2.gz JUPHCOCZWWURQF-ZDUSSCGKSA-N 1 2 249.289 1.075 20 0 BDADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1cncc(F)c1 ZINC000565900355 388977885 /nfs/dbraw/zinc/97/78/85/388977885.db2.gz JUPHCOCZWWURQF-ZDUSSCGKSA-N 1 2 249.289 1.075 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC(C(C)(C)O)C1 ZINC000566020638 388984801 /nfs/dbraw/zinc/98/48/01/388984801.db2.gz YTSRWKFODBNMQG-UHFFFAOYSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000355532032 177651018 /nfs/dbraw/zinc/65/10/18/177651018.db2.gz YKQDIDDFYAVXIE-WCQGTBRESA-N 1 2 232.283 1.175 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC[C@@H]1CCCO1 ZINC000266982516 388998018 /nfs/dbraw/zinc/99/80/18/388998018.db2.gz QPSPIAJOECFHQK-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO c1ccc2oc(N3CCCC[NH2+]3)nc2c1 ZINC000289135559 388999672 /nfs/dbraw/zinc/99/96/72/388999672.db2.gz NUKSOXDDCWWAPD-UHFFFAOYSA-N 1 2 203.245 1.933 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NC2CC2)[nH+]1 ZINC000270986839 389018051 /nfs/dbraw/zinc/01/80/51/389018051.db2.gz WLIITEGKZYKLPI-UHFFFAOYSA-N 1 2 221.308 1.635 20 0 BDADLO CC(C)c1nc(NC2CC2)nc(N(C)C)[nH+]1 ZINC000270986839 389018054 /nfs/dbraw/zinc/01/80/54/389018054.db2.gz WLIITEGKZYKLPI-UHFFFAOYSA-N 1 2 221.308 1.635 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2ncnn2C(C)C)C1 ZINC000510110568 533293257 /nfs/dbraw/zinc/29/32/57/533293257.db2.gz ZEQQTFISRFKLFP-PHIMTYICSA-N 1 2 238.335 1.468 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ncnn2C(C)C)C1 ZINC000510110568 533293264 /nfs/dbraw/zinc/29/32/64/533293264.db2.gz ZEQQTFISRFKLFP-PHIMTYICSA-N 1 2 238.335 1.468 20 0 BDADLO CON(CC(C)(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891031 533305793 /nfs/dbraw/zinc/30/57/93/533305793.db2.gz JZQUUHJMRYLUKE-WAYWQWQTSA-N 1 2 237.303 1.859 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493743055 533482718 /nfs/dbraw/zinc/48/27/18/533482718.db2.gz BZKBHKUCXLLNAG-AIYRYJHASA-N 1 2 247.220 1.880 20 0 BDADLO Cc1[nH]nc(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000492855481 533670124 /nfs/dbraw/zinc/67/01/24/533670124.db2.gz ABJYDDVIYJVWTE-ONEGZZNKSA-N 1 2 231.259 1.402 20 0 BDADLO OC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000258677484 132177536 /nfs/dbraw/zinc/17/75/36/132177536.db2.gz IPWPFEZXFWWECH-UHFFFAOYSA-N 1 2 248.330 1.038 20 0 BDADLO OC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000258677484 132177539 /nfs/dbraw/zinc/17/75/39/132177539.db2.gz IPWPFEZXFWWECH-UHFFFAOYSA-N 1 2 248.330 1.038 20 0 BDADLO C[C@H]1CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000264328654 132179297 /nfs/dbraw/zinc/17/92/97/132179297.db2.gz MDNLHAGERZGXKJ-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO C[C@H]1CCCN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000264328654 132179303 /nfs/dbraw/zinc/17/93/03/132179303.db2.gz MDNLHAGERZGXKJ-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO C[C@@H]1C[C@@H](C)CCN1c1[nH+]cnc2c1cnn2C ZINC000265818435 132182968 /nfs/dbraw/zinc/18/29/68/132182968.db2.gz HJUWQOYYISXOHW-VHSXEESVSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000267196040 132188633 /nfs/dbraw/zinc/18/86/33/132188633.db2.gz IFHHGOGQGWDSGC-SNVBAGLBSA-N 1 2 229.283 1.855 20 0 BDADLO OC[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000267265368 132188708 /nfs/dbraw/zinc/18/87/08/132188708.db2.gz YABDWKOKZKDJAV-NSHDSACASA-N 1 2 243.310 1.839 20 0 BDADLO C[C@@H]1CCN(c2ncccn2)C[C@H]1n1cc[nH+]c1 ZINC000268211354 132191843 /nfs/dbraw/zinc/19/18/43/132191843.db2.gz AMKNOISDZQMCFS-VXGBXAGGSA-N 1 2 243.314 1.761 20 0 BDADLO CC1=CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000298541976 132222521 /nfs/dbraw/zinc/22/25/21/132222521.db2.gz DEFLATSXECPTQU-LLVKDONJSA-N 1 2 248.330 1.426 20 0 BDADLO CC1=CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000298541976 132222523 /nfs/dbraw/zinc/22/25/23/132222523.db2.gz DEFLATSXECPTQU-LLVKDONJSA-N 1 2 248.330 1.426 20 0 BDADLO C[C@@H](O)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000120144004 132223462 /nfs/dbraw/zinc/22/34/62/132223462.db2.gz LXQJTJGHYZMVPY-ZYHUDNBSSA-N 1 2 247.342 1.951 20 0 BDADLO Cc1cc(N2CCOC(C)(C)C2)nc[nH+]1 ZINC000301248058 132223537 /nfs/dbraw/zinc/22/35/37/132223537.db2.gz OUXPLBNQRWNKIZ-UHFFFAOYSA-N 1 2 207.277 1.400 20 0 BDADLO CN(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301108878 132251200 /nfs/dbraw/zinc/25/12/00/132251200.db2.gz KBYOYIJIPUAUPP-LLVKDONJSA-N 1 2 233.315 1.386 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CC[C@@H]1O ZINC000302403492 132263259 /nfs/dbraw/zinc/26/32/59/132263259.db2.gz KITBCWXLNSCNPJ-ONGXEEELSA-N 1 2 233.315 1.561 20 0 BDADLO CO[C@H]1CN(c2cc(C)[nH+]cn2)CC[C@@H]1C ZINC000302570996 132264273 /nfs/dbraw/zinc/26/42/73/132264273.db2.gz QMGBWAWYNJXIBN-ONGXEEELSA-N 1 2 221.304 1.646 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000302786822 132266321 /nfs/dbraw/zinc/26/63/21/132266321.db2.gz WNZHNFVDNAHADJ-GXSJLCMTSA-N 1 2 249.314 1.420 20 0 BDADLO CC[C@H]1COCCN1c1cc[nH+]c(C2CC2)n1 ZINC000115522089 132268672 /nfs/dbraw/zinc/26/86/72/132268672.db2.gz OTEUAXKAFZXQNM-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO Cc1nc(N2CCC(C)CC2)nc(N(C)C)[nH+]1 ZINC000359237630 132275784 /nfs/dbraw/zinc/27/57/84/132275784.db2.gz WAWLDXULAJBUFQ-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC(C)CC2)[nH+]1 ZINC000359237630 132275786 /nfs/dbraw/zinc/27/57/86/132275786.db2.gz WAWLDXULAJBUFQ-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO COCC[C@@H]1COCCN1c1cc(C)[nH+]cn1 ZINC000360099716 132278053 /nfs/dbraw/zinc/27/80/53/132278053.db2.gz URRJJZBCDKKPEP-LLVKDONJSA-N 1 2 237.303 1.027 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@@H](C)[C@H]2C)[nH+]1 ZINC000360870898 132279213 /nfs/dbraw/zinc/27/92/13/132279213.db2.gz KDRNACAGZYGGME-BDAKNGLRSA-N 1 2 246.314 1.880 20 0 BDADLO Cc1cc(N2CCO[C@@H](C3CC3)C2)nc[nH+]1 ZINC000362682915 132281580 /nfs/dbraw/zinc/28/15/80/132281580.db2.gz IDESHUUPZCKJOE-LLVKDONJSA-N 1 2 219.288 1.400 20 0 BDADLO c1ccc(N2CC[C@H]3OCC[C@H]3C2)[nH+]c1 ZINC000369663684 132284601 /nfs/dbraw/zinc/28/46/01/132284601.db2.gz MDKONDDSIQURIN-WDEREUQCSA-N 1 2 204.273 1.697 20 0 BDADLO C[C@H]1OCC[C@]12CN(c1cccc[nH+]1)CCO2 ZINC000376021374 132288491 /nfs/dbraw/zinc/28/84/91/132288491.db2.gz LNADJMUNUQCIJT-YPMHNXCESA-N 1 2 234.299 1.466 20 0 BDADLO C[NH+](C)C1CCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000035239363 132337912 /nfs/dbraw/zinc/33/79/12/132337912.db2.gz TZNJYNWUSSEBBC-UHFFFAOYSA-N 1 2 249.314 1.310 20 0 BDADLO CC(C)C1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335428633 133843810 /nfs/dbraw/zinc/84/38/10/133843810.db2.gz VNGFBEQTJRZLDJ-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000335519945 133873358 /nfs/dbraw/zinc/87/33/58/133873358.db2.gz FRLSGGYRTJZVCJ-NSHDSACASA-N 1 2 223.320 1.371 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000335519945 133873359 /nfs/dbraw/zinc/87/33/59/133873359.db2.gz FRLSGGYRTJZVCJ-NSHDSACASA-N 1 2 223.320 1.371 20 0 BDADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000335522600 133874343 /nfs/dbraw/zinc/87/43/43/133874343.db2.gz ZEFQRABNYSYVPH-JTQLQIEISA-N 1 2 235.331 1.702 20 0 BDADLO Cn1cc(Cl)c(C[NH+]2CCC(CO)CC2)n1 ZINC000335545674 133884467 /nfs/dbraw/zinc/88/44/67/133884467.db2.gz XGDMUGLMOKDIOY-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C)c(C)[nH+]1 ZINC000335874993 133947115 /nfs/dbraw/zinc/94/71/15/133947115.db2.gz WKIAKNDNHCYSDT-GXSJLCMTSA-N 1 2 249.314 1.685 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000351824657 133986264 /nfs/dbraw/zinc/98/62/64/133986264.db2.gz RSIFLCWVAGHHCH-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000351824657 133986265 /nfs/dbraw/zinc/98/62/65/133986265.db2.gz RSIFLCWVAGHHCH-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ccccc1C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000335945322 134019838 /nfs/dbraw/zinc/01/98/38/134019838.db2.gz XBNRQWYGBGCINX-LRDDRELGSA-N 1 2 237.368 1.948 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000335955030 134022959 /nfs/dbraw/zinc/02/29/59/134022959.db2.gz QJIBAPNEGXQQBZ-DTWKUNHWSA-N 1 2 222.292 1.018 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000335956638 134023393 /nfs/dbraw/zinc/02/33/93/134023393.db2.gz FQGMHUACUYPAPD-UWVGGRQHSA-N 1 2 221.304 1.473 20 0 BDADLO Cn1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000335966085 134028265 /nfs/dbraw/zinc/02/82/65/134028265.db2.gz MKAXAXVODAONLS-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO C[C@@]1(F)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335973187 134030365 /nfs/dbraw/zinc/03/03/65/134030365.db2.gz VFKPCZOANOFJLO-LLVKDONJSA-N 1 2 225.267 1.303 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CO)c2ccsc2)nc1 ZINC000352020836 134037245 /nfs/dbraw/zinc/03/72/45/134037245.db2.gz JFPOGSIRKPGSMG-NSHDSACASA-N 1 2 249.339 1.670 20 0 BDADLO CC(C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000336056404 134066626 /nfs/dbraw/zinc/06/66/26/134066626.db2.gz VDWUWRDKUARFOA-UHFFFAOYSA-N 1 2 235.331 1.834 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000336065852 134070374 /nfs/dbraw/zinc/07/03/74/134070374.db2.gz KEROXMOWDUSNFQ-QWRGUYRKSA-N 1 2 243.310 1.886 20 0 BDADLO C[C@H]1[N@H+](Cc2ccno2)CCOC1(C)C ZINC000336069692 134071420 /nfs/dbraw/zinc/07/14/20/134071420.db2.gz CPPNLZBKPVDACC-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1[N@@H+](Cc2ccno2)CCOC1(C)C ZINC000336069692 134071421 /nfs/dbraw/zinc/07/14/21/134071421.db2.gz CPPNLZBKPVDACC-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000336161993 134111454 /nfs/dbraw/zinc/11/14/54/134111454.db2.gz FWYBHJKCIOFGKI-ZJUUUORDSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000336161993 134111455 /nfs/dbraw/zinc/11/14/55/134111455.db2.gz FWYBHJKCIOFGKI-ZJUUUORDSA-N 1 2 213.252 1.493 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000336219257 134138465 /nfs/dbraw/zinc/13/84/65/134138465.db2.gz ARRJKRFNLXJADJ-CHWSQXEVSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cnccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000336219257 134138466 /nfs/dbraw/zinc/13/84/66/134138466.db2.gz ARRJKRFNLXJADJ-CHWSQXEVSA-N 1 2 236.290 1.974 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171973525 134263592 /nfs/dbraw/zinc/26/35/92/134263592.db2.gz FZQHXKNSMOPQNR-GFCCVEGCSA-N 1 2 242.363 1.069 20 0 BDADLO CSC[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759719 134283186 /nfs/dbraw/zinc/28/31/86/134283186.db2.gz AWNKUAUEBMELAH-QMMMGPOBSA-N 1 2 227.333 1.068 20 0 BDADLO C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)C1CC1 ZINC000175245242 134286304 /nfs/dbraw/zinc/28/63/04/134286304.db2.gz ZKEGZYMRHRIWRL-JTQLQIEISA-N 1 2 247.342 1.810 20 0 BDADLO C[C@H]1CCN(C(=O)NC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000177561833 134300431 /nfs/dbraw/zinc/30/04/31/134300431.db2.gz LWHAUSUUMBIKMQ-CMPLNLGQSA-N 1 2 248.330 1.638 20 0 BDADLO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000223217730 134337790 /nfs/dbraw/zinc/33/77/90/134337790.db2.gz MHTDNIYVGZITHB-RQJABVFESA-N 1 2 239.407 1.399 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H](C)CC2)no1 ZINC000182417613 134345209 /nfs/dbraw/zinc/34/52/09/134345209.db2.gz VNYZGWKJBORNAK-SNVBAGLBSA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H](C)CC2)no1 ZINC000182417613 134345210 /nfs/dbraw/zinc/34/52/10/134345210.db2.gz VNYZGWKJBORNAK-SNVBAGLBSA-N 1 2 239.319 1.838 20 0 BDADLO COCCC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000183818588 134356490 /nfs/dbraw/zinc/35/64/90/134356490.db2.gz RHOOBRSCFZVDFC-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO O[C@H]1CCOc2c(NCc3[nH]cc[nH+]3)cccc21 ZINC000184074273 134357627 /nfs/dbraw/zinc/35/76/27/134357627.db2.gz PCQSICJGJZMABZ-NSHDSACASA-N 1 2 245.282 1.838 20 0 BDADLO CCC[C@](C)([NH2+]CC1=CCCOC1)C(=O)OC ZINC000184044689 134359954 /nfs/dbraw/zinc/35/99/54/134359954.db2.gz XDJRXGZQLCDQIQ-ZDUSSCGKSA-N 1 2 241.331 1.655 20 0 BDADLO C[C@@H](c1cnccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000184396737 134362712 /nfs/dbraw/zinc/36/27/12/134362712.db2.gz HLXIMHSYNYUOHC-MXWKQRLJSA-N 1 2 221.304 1.647 20 0 BDADLO NC(=O)C1([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000185222534 134375699 /nfs/dbraw/zinc/37/56/99/134375699.db2.gz ITJPTURYPGSWCI-UHFFFAOYSA-N 1 2 244.216 1.211 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185993414 134399697 /nfs/dbraw/zinc/39/96/97/134399697.db2.gz UZMFPSHVCFMROJ-MFKMUULPSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1nnnn1C ZINC000189820505 134554039 /nfs/dbraw/zinc/55/40/39/134554039.db2.gz NUYWYFHKXQILSU-IUCAKERBSA-N 1 2 232.291 1.017 20 0 BDADLO Cc1nnc(N[C@H](C)Cn2cc[nH+]c2)nc1C ZINC000159077819 134760198 /nfs/dbraw/zinc/76/01/98/134760198.db2.gz CLDVNEIOZTWBDO-MRVPVSSYSA-N 1 2 232.291 1.186 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccoc1Cl ZINC000236040828 134819146 /nfs/dbraw/zinc/81/91/46/134819146.db2.gz LHRNISQIJVFZGS-UHFFFAOYSA-N 1 2 225.635 1.586 20 0 BDADLO CCn1cc(N[C@@H](C)c2[nH+]ccn2C)cn1 ZINC000070007646 134906590 /nfs/dbraw/zinc/90/65/90/134906590.db2.gz VMCNPDGBRIGDHJ-VIFPVBQESA-N 1 2 219.292 1.810 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccccn2)c[nH+]1 ZINC000082268968 134947664 /nfs/dbraw/zinc/94/76/64/134947664.db2.gz JHOHGBSRZOAMOA-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)CC)[C@H](C)CC ZINC000248537758 135004272 /nfs/dbraw/zinc/00/42/72/135004272.db2.gz ADZXQAJDFJXGOW-OUAUKWLOSA-N 1 2 231.336 1.325 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(Cl)o1 ZINC000070651510 135005304 /nfs/dbraw/zinc/00/53/04/135005304.db2.gz VUUQCOWSHROAGL-UHFFFAOYSA-N 1 2 225.635 1.586 20 0 BDADLO Cc1ncsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651512 135005815 /nfs/dbraw/zinc/00/58/15/135005815.db2.gz MFXUBSDPBSNMCS-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO CC[C@H]([NH2+]Cc1cn(C)nn1)c1nccs1 ZINC000070717159 135011099 /nfs/dbraw/zinc/01/10/99/135011099.db2.gz ATWQMIFRSYGKNH-VIFPVBQESA-N 1 2 237.332 1.513 20 0 BDADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NC(C)C)n1 ZINC000070733584 135012095 /nfs/dbraw/zinc/01/20/95/135012095.db2.gz MOXFHONGDOSOFV-SECBINFHSA-N 1 2 241.360 1.627 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccccc1 ZINC000070819910 135013075 /nfs/dbraw/zinc/01/30/75/135013075.db2.gz BVRNWEJXHIEVBV-UHFFFAOYSA-N 1 2 216.244 1.731 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000248618722 135017693 /nfs/dbraw/zinc/01/76/93/135017693.db2.gz XNLAMKVJWZGCMF-VHSXEESVSA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000248618722 135017694 /nfs/dbraw/zinc/01/76/94/135017694.db2.gz XNLAMKVJWZGCMF-VHSXEESVSA-N 1 2 239.319 1.694 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@@H](C)O ZINC000248969043 135028802 /nfs/dbraw/zinc/02/88/02/135028802.db2.gz CEMUXZIKWMVUFE-CSYMLDBXSA-N 1 2 243.347 1.323 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+][C@H](C(=O)OC)[C@H](C)O)C1 ZINC000249106421 135033762 /nfs/dbraw/zinc/03/37/62/135033762.db2.gz QMGALRKAEOEBKR-USZNOCQGSA-N 1 2 243.347 1.467 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249348025 135036831 /nfs/dbraw/zinc/03/68/31/135036831.db2.gz VMEPJWAQISKQHF-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249348025 135036832 /nfs/dbraw/zinc/03/68/32/135036832.db2.gz VMEPJWAQISKQHF-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000249732112 135044311 /nfs/dbraw/zinc/04/43/11/135044311.db2.gz BEBWRRHEQLHZEZ-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO CCn1ccnc1C[NH+]1CCSCC1 ZINC000076693033 135047690 /nfs/dbraw/zinc/04/76/90/135047690.db2.gz QQKOZMFORUGQPD-UHFFFAOYSA-N 1 2 211.334 1.452 20 0 BDADLO c1cn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250249980 135052063 /nfs/dbraw/zinc/05/20/63/135052063.db2.gz ORZJBZHPQSLSCB-OLZOCXBDSA-N 1 2 234.347 1.100 20 0 BDADLO c1cn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250249980 135052064 /nfs/dbraw/zinc/05/20/64/135052064.db2.gz ORZJBZHPQSLSCB-OLZOCXBDSA-N 1 2 234.347 1.100 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000251537101 135070652 /nfs/dbraw/zinc/07/06/52/135070652.db2.gz HWFJSSWIBAAOTA-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000251537101 135070654 /nfs/dbraw/zinc/07/06/54/135070654.db2.gz HWFJSSWIBAAOTA-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000078449787 135124875 /nfs/dbraw/zinc/12/48/75/135124875.db2.gz LKKXMHVSCVRZMM-UHFFFAOYSA-N 1 2 248.330 1.630 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccccc1 ZINC000255574207 135129886 /nfs/dbraw/zinc/12/98/86/135129886.db2.gz SDEGJAHEIROKKJ-PIZKADEWSA-N 1 2 244.338 1.910 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccccc1 ZINC000255574207 135129887 /nfs/dbraw/zinc/12/98/87/135129887.db2.gz SDEGJAHEIROKKJ-PIZKADEWSA-N 1 2 244.338 1.910 20 0 BDADLO COC[C@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000265992627 135146459 /nfs/dbraw/zinc/14/64/59/135146459.db2.gz KCCIRWYIFJOWHN-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000265992627 135146460 /nfs/dbraw/zinc/14/64/60/135146460.db2.gz KCCIRWYIFJOWHN-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO C[N@H+](Cc1noc(C(C)(C)C)n1)CC(C)(C)O ZINC000078778675 135151179 /nfs/dbraw/zinc/15/11/79/135151179.db2.gz XFIUWRPIAIRSKK-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)CC(C)(C)O ZINC000078778675 135151181 /nfs/dbraw/zinc/15/11/81/135151181.db2.gz XFIUWRPIAIRSKK-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2nccs2)no1 ZINC000269682561 135166413 /nfs/dbraw/zinc/16/64/13/135166413.db2.gz FOJQCMXLGYUNID-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2nccs2)no1 ZINC000269682561 135166415 /nfs/dbraw/zinc/16/64/15/135166415.db2.gz FOJQCMXLGYUNID-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353169863 135168088 /nfs/dbraw/zinc/16/80/88/135168088.db2.gz JQOHKVRTXYUXJH-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353169863 135168090 /nfs/dbraw/zinc/16/80/90/135168090.db2.gz JQOHKVRTXYUXJH-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@H]([NH2+][C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000087786052 135171190 /nfs/dbraw/zinc/17/11/90/135171190.db2.gz HQSVUJAKWCITEJ-IUCAKERBSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc(N)s2)[C@@H]1C ZINC000261536527 135172230 /nfs/dbraw/zinc/17/22/30/135172230.db2.gz SAFRMYFHBYGICW-HTQZYQBOSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc(N)s2)[C@@H]1C ZINC000261536527 135172232 /nfs/dbraw/zinc/17/22/32/135172232.db2.gz SAFRMYFHBYGICW-HTQZYQBOSA-N 1 2 227.333 1.335 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc(C)s2)n1 ZINC000261539532 135178087 /nfs/dbraw/zinc/17/80/87/135178087.db2.gz CRSVQDYJTILHIY-UHFFFAOYSA-N 1 2 223.301 1.750 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164000461 135210492 /nfs/dbraw/zinc/21/04/92/135210492.db2.gz TYKSDQIJMURTFC-KOLCDFICSA-N 1 2 211.309 1.296 20 0 BDADLO Cn1ccnc1CNc1[nH+]c2ccccc2n1C ZINC000079047184 135268315 /nfs/dbraw/zinc/26/83/15/135268315.db2.gz MGXQVKNCHGTECH-UHFFFAOYSA-N 1 2 241.298 1.919 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000342389785 135270384 /nfs/dbraw/zinc/27/03/84/135270384.db2.gz PBOWVXUCGCQIEN-GMXVVIOVSA-N 1 2 235.331 1.824 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC(C)C ZINC000342403966 135271630 /nfs/dbraw/zinc/27/16/30/135271630.db2.gz GFRYLLLQWIIUEV-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC(C)C ZINC000342403966 135271633 /nfs/dbraw/zinc/27/16/33/135271633.db2.gz GFRYLLLQWIIUEV-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cccc(F)c1F ZINC000342694513 135306771 /nfs/dbraw/zinc/30/67/71/135306771.db2.gz NXEZOTZGNYBJSW-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cccc(F)c1F ZINC000342694513 135306772 /nfs/dbraw/zinc/30/67/72/135306772.db2.gz NXEZOTZGNYBJSW-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO CC[C@@]1(C)COCCN1Cc1[nH+]cc(C)n1C ZINC000342796624 135321120 /nfs/dbraw/zinc/32/11/20/135321120.db2.gz KQTPHSXXZWAORA-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2ncc[nH]2)n1C ZINC000342796955 135321204 /nfs/dbraw/zinc/32/12/04/135321204.db2.gz LUPTYXHQRJVVPV-LLVKDONJSA-N 1 2 245.330 1.789 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C(=O)OC ZINC000342798184 135321366 /nfs/dbraw/zinc/32/13/66/135321366.db2.gz RYMDPROACXUEAP-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO O=C(NCc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262997276 135326224 /nfs/dbraw/zinc/32/62/24/135326224.db2.gz OIDMUOTVGVZOMK-SNVBAGLBSA-N 1 2 240.253 1.300 20 0 BDADLO Cc1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263036821 135327992 /nfs/dbraw/zinc/32/79/92/135327992.db2.gz SJUSWIVMGUIRDD-MRVPVSSYSA-N 1 2 241.241 1.326 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@H]1C ZINC000263073869 135331228 /nfs/dbraw/zinc/33/12/28/135331228.db2.gz WWBTZKBCHIFRTC-VGMNWLOBSA-N 1 2 232.274 1.241 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)[C@@H]1C ZINC000263073862 135331494 /nfs/dbraw/zinc/33/14/94/135331494.db2.gz WWBTZKBCHIFRTC-IWSPIJDZSA-N 1 2 232.274 1.241 20 0 BDADLO O=C(NC1CCCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263093263 135331810 /nfs/dbraw/zinc/33/18/10/135331810.db2.gz YQJAMGBWJJIZBF-SNVBAGLBSA-N 1 2 246.301 1.823 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263131035 135335066 /nfs/dbraw/zinc/33/50/66/135335066.db2.gz BRSHTKGKGWJFSO-SECBINFHSA-N 1 2 232.274 1.242 20 0 BDADLO C[N@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC000334290810 135340709 /nfs/dbraw/zinc/34/07/09/135340709.db2.gz MDJSMWJMAOSEAP-UHFFFAOYSA-N 1 2 206.293 1.209 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC000334290810 135340711 /nfs/dbraw/zinc/34/07/11/135340711.db2.gz MDJSMWJMAOSEAP-UHFFFAOYSA-N 1 2 206.293 1.209 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263247499 135342828 /nfs/dbraw/zinc/34/28/28/135342828.db2.gz PLXAAJYYRGSZMH-WPRPVWTQSA-N 1 2 246.301 1.679 20 0 BDADLO CNC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000334313419 135351919 /nfs/dbraw/zinc/35/19/19/135351919.db2.gz WIVUKRXZQWYFTC-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000334313419 135351920 /nfs/dbraw/zinc/35/19/20/135351920.db2.gz WIVUKRXZQWYFTC-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](F)C1 ZINC000343064922 135355442 /nfs/dbraw/zinc/35/54/42/135355442.db2.gz JOAQLSCLJXEMLP-QMMMGPOBSA-N 1 2 235.266 1.302 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCN(C)C[C@H]1C ZINC000334334401 135361978 /nfs/dbraw/zinc/36/19/78/135361978.db2.gz XLMGQWHXGFAMDU-SNVBAGLBSA-N 1 2 237.347 1.681 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCN(C)C[C@H]1C ZINC000334334401 135361980 /nfs/dbraw/zinc/36/19/80/135361980.db2.gz XLMGQWHXGFAMDU-SNVBAGLBSA-N 1 2 237.347 1.681 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CCO1 ZINC000079934866 135364833 /nfs/dbraw/zinc/36/48/33/135364833.db2.gz HUDMHZGOPVZYKF-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)CCO1 ZINC000079934866 135364834 /nfs/dbraw/zinc/36/48/34/135364834.db2.gz HUDMHZGOPVZYKF-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CSCC[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000306275530 135370484 /nfs/dbraw/zinc/37/04/84/135370484.db2.gz GLVCPSZSEWNLQK-NXEZZACHSA-N 1 2 202.367 1.374 20 0 BDADLO CC(C)N(C(=O)[C@@H]1COCC[N@@H+]1C)C1CCC1 ZINC000334378993 135377343 /nfs/dbraw/zinc/37/73/43/135377343.db2.gz HFAYXOHUPNOVBG-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C(=O)[C@@H]1COCC[N@H+]1C)C1CCC1 ZINC000334378993 135377344 /nfs/dbraw/zinc/37/73/44/135377344.db2.gz HFAYXOHUPNOVBG-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnnn2C)CCC1(F)F ZINC000334394928 135386816 /nfs/dbraw/zinc/38/68/16/135386816.db2.gz BEQPABZFYBWLMC-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnnn2C)CCC1(F)F ZINC000334394928 135386817 /nfs/dbraw/zinc/38/68/17/135386817.db2.gz BEQPABZFYBWLMC-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C(N)=O)sc1C ZINC000081671200 135388460 /nfs/dbraw/zinc/38/84/60/135388460.db2.gz MIVFWIYCIWDXDX-SECBINFHSA-N 1 2 239.344 1.210 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2C(N)=O)sc1C ZINC000081671200 135388461 /nfs/dbraw/zinc/38/84/61/135388461.db2.gz MIVFWIYCIWDXDX-SECBINFHSA-N 1 2 239.344 1.210 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]2(C)CCO[C@@H]2C)c[nH+]1 ZINC000334397417 135389037 /nfs/dbraw/zinc/38/90/37/135389037.db2.gz CHZTTZHRRWRZOH-RDDDGLTNSA-N 1 2 223.276 1.015 20 0 BDADLO O=C1CC[C@H](Nc2cccc[nH+]2)[C@H](C2CC2)N1 ZINC000334409735 135392038 /nfs/dbraw/zinc/39/20/38/135392038.db2.gz JDCDYHNAQUGWSW-GWCFXTLKSA-N 1 2 231.299 1.551 20 0 BDADLO Cc1cc(NCC2(O)CCCC2)nc[nH+]1 ZINC000078523047 135393588 /nfs/dbraw/zinc/39/35/88/135393588.db2.gz NWOSKTRQXQBPPI-UHFFFAOYSA-N 1 2 207.277 1.502 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@@H](C)C1 ZINC000334962699 135851749 /nfs/dbraw/zinc/85/17/49/135851749.db2.gz UAHNHAOEZZKCMF-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(COC(F)F)n1 ZINC000346944240 135981745 /nfs/dbraw/zinc/98/17/45/135981745.db2.gz RFGCYWNCSCXKAV-UHFFFAOYSA-N 1 2 244.201 1.133 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347649993 136001057 /nfs/dbraw/zinc/00/10/57/136001057.db2.gz NHDWWAYJOCVZOC-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347649993 136001058 /nfs/dbraw/zinc/00/10/58/136001058.db2.gz NHDWWAYJOCVZOC-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO C[N@H+](Cc1ccn(C(F)F)n1)[C@H]1CCOC1 ZINC000347697072 136006907 /nfs/dbraw/zinc/00/69/07/136006907.db2.gz HMYIMPPWZOBLNE-VIFPVBQESA-N 1 2 231.246 1.499 20 0 BDADLO C[N@@H+](Cc1ccn(C(F)F)n1)[C@H]1CCOC1 ZINC000347697072 136006908 /nfs/dbraw/zinc/00/69/08/136006908.db2.gz HMYIMPPWZOBLNE-VIFPVBQESA-N 1 2 231.246 1.499 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000347776748 136009400 /nfs/dbraw/zinc/00/94/00/136009400.db2.gz LXUWMUIRUAWZHS-QWRGUYRKSA-N 1 2 248.330 1.591 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000347776744 136009411 /nfs/dbraw/zinc/00/94/11/136009411.db2.gz LXUWMUIRUAWZHS-MNOVXSKESA-N 1 2 248.330 1.591 20 0 BDADLO CC[C@H](NC(=O)CCCCOC)c1[nH]cc[nH+]1 ZINC000347980223 136022728 /nfs/dbraw/zinc/02/27/28/136022728.db2.gz GLNTXATXIGLYLK-JTQLQIEISA-N 1 2 239.319 1.794 20 0 BDADLO CCOC(=O)CC[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000347992453 136023289 /nfs/dbraw/zinc/02/32/89/136023289.db2.gz AWYXYMQTANXGLP-GXSJLCMTSA-N 1 2 245.319 1.117 20 0 BDADLO Cc1cccc2ncc(C[N@@H+]3CCO[C@@H](C)C3)n21 ZINC000335318406 136025990 /nfs/dbraw/zinc/02/59/90/136025990.db2.gz GALJCCXKWWMKIH-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2ncc(C[N@H+]3CCO[C@@H](C)C3)n21 ZINC000335318406 136025991 /nfs/dbraw/zinc/02/59/91/136025991.db2.gz GALJCCXKWWMKIH-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CCO[C@@H](C)C3)n21 ZINC000335318406 136025992 /nfs/dbraw/zinc/02/59/92/136025992.db2.gz GALJCCXKWWMKIH-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)n1 ZINC000348099865 136036315 /nfs/dbraw/zinc/03/63/15/136036315.db2.gz XAJJAWKBAHMNHS-SECBINFHSA-N 1 2 247.298 1.721 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2C[C@H]2C(F)F)c1Cl ZINC000348103199 136036566 /nfs/dbraw/zinc/03/65/66/136036566.db2.gz DUGGKNSTJYXLHI-DMTCNVIQSA-N 1 2 234.637 1.778 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2C[C@H]2C(F)F)c1Cl ZINC000348103199 136036567 /nfs/dbraw/zinc/03/65/67/136036567.db2.gz DUGGKNSTJYXLHI-DMTCNVIQSA-N 1 2 234.637 1.778 20 0 BDADLO CCSCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348212293 136045770 /nfs/dbraw/zinc/04/57/70/136045770.db2.gz RTZKHGKSWXGYMN-CQSZACIVSA-N 1 2 235.418 1.582 20 0 BDADLO CCSCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348212293 136045771 /nfs/dbraw/zinc/04/57/71/136045771.db2.gz RTZKHGKSWXGYMN-CQSZACIVSA-N 1 2 235.418 1.582 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCc2ncsc2C1 ZINC000348217683 136046628 /nfs/dbraw/zinc/04/66/28/136046628.db2.gz WGAOPQNLUZMHTC-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCc2ncsc2C1 ZINC000348217683 136046629 /nfs/dbraw/zinc/04/66/29/136046629.db2.gz WGAOPQNLUZMHTC-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c(Cl)cnn2C)C[C@H]1O ZINC000335328843 136053311 /nfs/dbraw/zinc/05/33/11/136053311.db2.gz KUSLMXMTAZKRQW-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C[C@H]1O ZINC000335328843 136053312 /nfs/dbraw/zinc/05/33/12/136053312.db2.gz KUSLMXMTAZKRQW-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO CC(C)OCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348207185 136054437 /nfs/dbraw/zinc/05/44/37/136054437.db2.gz CQYPEGKFZKFRQT-HNNXBMFYSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348207185 136054438 /nfs/dbraw/zinc/05/44/38/136054438.db2.gz CQYPEGKFZKFRQT-HNNXBMFYSA-N 1 2 233.377 1.254 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)nn1C ZINC000348243160 136056241 /nfs/dbraw/zinc/05/62/41/136056241.db2.gz SEGZNNKMGSLDET-RISCZKNCSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)nn1C ZINC000348243160 136056242 /nfs/dbraw/zinc/05/62/42/136056242.db2.gz SEGZNNKMGSLDET-RISCZKNCSA-N 1 2 249.358 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H](C)O1 ZINC000348240583 136056275 /nfs/dbraw/zinc/05/62/75/136056275.db2.gz DKEOMQXOGBKVRN-JFGNBEQYSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H](C)O1 ZINC000348240583 136056276 /nfs/dbraw/zinc/05/62/76/136056276.db2.gz DKEOMQXOGBKVRN-JFGNBEQYSA-N 1 2 240.347 1.153 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000335345598 136066310 /nfs/dbraw/zinc/06/63/10/136066310.db2.gz CZXJQKVLCTYFHK-TXEJJXNPSA-N 1 2 247.342 1.991 20 0 BDADLO CO[C@H]1CC[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000335346229 136066777 /nfs/dbraw/zinc/06/67/77/136066777.db2.gz QOIWWSJXUBNNBZ-BDAKNGLRSA-N 1 2 223.276 1.015 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1ccnn1C ZINC000348378185 136073909 /nfs/dbraw/zinc/07/39/09/136073909.db2.gz SENTXILIXSAUTH-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1ccnn1C ZINC000348378185 136073910 /nfs/dbraw/zinc/07/39/10/136073910.db2.gz SENTXILIXSAUTH-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(CC[N@@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000335367683 136082065 /nfs/dbraw/zinc/08/20/65/136082065.db2.gz WQJIFPODTRFMID-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cccc(CC[N@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000335367683 136082066 /nfs/dbraw/zinc/08/20/66/136082066.db2.gz WQJIFPODTRFMID-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccncc2)CC[S@@]1=O ZINC000335371440 136083720 /nfs/dbraw/zinc/08/37/20/136083720.db2.gz CYMGZUHBJWYCPB-BZNIZROVSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccncc2)CC[S@@]1=O ZINC000335371440 136083721 /nfs/dbraw/zinc/08/37/21/136083721.db2.gz CYMGZUHBJWYCPB-BZNIZROVSA-N 1 2 238.356 1.077 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000335383607 136088284 /nfs/dbraw/zinc/08/82/84/136088284.db2.gz DZIDXRFVKCKLFI-MWLCHTKSSA-N 1 2 249.314 1.047 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CO[C@H](C)C1 ZINC000335397475 136092845 /nfs/dbraw/zinc/09/28/45/136092845.db2.gz YNNVLHMDUATYEJ-NXEZZACHSA-N 1 2 235.287 1.111 20 0 BDADLO CC1C[NH+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000335401259 136094616 /nfs/dbraw/zinc/09/46/16/136094616.db2.gz SKYOUYYXODQQQO-UHFFFAOYSA-N 1 2 208.309 1.485 20 0 BDADLO CC(C)COCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000367043348 136096771 /nfs/dbraw/zinc/09/67/71/136096771.db2.gz PHEYLXLRTZMRAU-LLVKDONJSA-N 1 2 239.319 1.879 20 0 BDADLO CC(C)COCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000367043348 136096772 /nfs/dbraw/zinc/09/67/72/136096772.db2.gz PHEYLXLRTZMRAU-LLVKDONJSA-N 1 2 239.319 1.879 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335548666 136097347 /nfs/dbraw/zinc/09/73/47/136097347.db2.gz PUSCEJBPZDYZHO-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@H]1CC1(C)C ZINC000335565491 136107351 /nfs/dbraw/zinc/10/73/51/136107351.db2.gz YYTNAHGAOHLHDA-IUCAKERBSA-N 1 2 239.344 1.400 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H]2CCCOC2)n1C ZINC000348710218 136116667 /nfs/dbraw/zinc/11/66/67/136116667.db2.gz NXZKIROQZWJCIX-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCCOC2)n1C ZINC000348710218 136116668 /nfs/dbraw/zinc/11/66/68/136116668.db2.gz NXZKIROQZWJCIX-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@H]2CCCOC2)n1C ZINC000348710218 136116669 /nfs/dbraw/zinc/11/66/69/136116669.db2.gz NXZKIROQZWJCIX-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[NH+]1Cc2ccccc2C1 ZINC000155478160 397751800 /nfs/dbraw/zinc/75/18/00/397751800.db2.gz DXSKKNAFROZHLC-JTQLQIEISA-N 1 2 230.311 1.669 20 0 BDADLO CC[C@](C)(OC)C(=O)NCc1[nH]c[nH+]c1C ZINC000281505826 397754373 /nfs/dbraw/zinc/75/43/73/397754373.db2.gz PACAPKBWEHQLTO-NSHDSACASA-N 1 2 225.292 1.149 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccsc1 ZINC000493266387 397928318 /nfs/dbraw/zinc/92/83/18/397928318.db2.gz WNMHHNBXQPGEBE-NSCUHMNNSA-N 1 2 247.323 1.811 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264983448 397930638 /nfs/dbraw/zinc/93/06/38/397930638.db2.gz IWYRQXISJVWRMT-MNOVXSKESA-N 1 2 223.320 1.680 20 0 BDADLO CC[C@@H](F)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000440529565 397931759 /nfs/dbraw/zinc/93/17/59/397931759.db2.gz WCHKIUHRQLQQJA-PUXPGTEJSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@@H](F)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000440529565 397931761 /nfs/dbraw/zinc/93/17/61/397931761.db2.gz WCHKIUHRQLQQJA-PUXPGTEJSA-N 1 2 221.341 1.576 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1ccc[nH]1 ZINC000649546802 397937452 /nfs/dbraw/zinc/93/74/52/397937452.db2.gz ANAYWQKPXUTAQL-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000649546802 397937455 /nfs/dbraw/zinc/93/74/55/397937455.db2.gz ANAYWQKPXUTAQL-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)n1 ZINC000357767133 397940997 /nfs/dbraw/zinc/94/09/97/397940997.db2.gz KIQWPWOAGLKGNB-RKDXNWHRSA-N 1 2 235.291 1.314 20 0 BDADLO OCc1cc[nH+]c(N2CCC3(C2)CCOCC3)c1 ZINC000302511900 397941912 /nfs/dbraw/zinc/94/19/12/397941912.db2.gz NGGYEQLNBZSVED-UHFFFAOYSA-N 1 2 248.326 1.581 20 0 BDADLO C[C@H](C(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000267248407 397944481 /nfs/dbraw/zinc/94/44/81/397944481.db2.gz UEISKDSTPHOPIE-JTQLQIEISA-N 1 2 233.315 1.656 20 0 BDADLO CCc1cc(N[C@@H]2CC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000649554254 397946896 /nfs/dbraw/zinc/94/68/96/397946896.db2.gz CVORDSDVOSMWIX-WCBMZHEXSA-N 1 2 234.303 1.105 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000650186652 397967229 /nfs/dbraw/zinc/96/72/29/397967229.db2.gz YQCJJDRVQFEBCV-NXEZZACHSA-N 1 2 239.319 1.223 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000650186652 397967238 /nfs/dbraw/zinc/96/72/38/397967238.db2.gz YQCJJDRVQFEBCV-NXEZZACHSA-N 1 2 239.319 1.223 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CCCOC1 ZINC000414482569 397954247 /nfs/dbraw/zinc/95/42/47/397954247.db2.gz DJTOULHNZFCISK-QWRGUYRKSA-N 1 2 227.304 1.097 20 0 BDADLO c1c(C[N@@H+]2CCOC3(CCC3)C2)nn2c1CCC2 ZINC000649572328 397962015 /nfs/dbraw/zinc/96/20/15/397962015.db2.gz SDJSFSMUPOQTCL-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO c1c(C[N@H+]2CCOC3(CCC3)C2)nn2c1CCC2 ZINC000649572328 397962019 /nfs/dbraw/zinc/96/20/19/397962019.db2.gz SDJSFSMUPOQTCL-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO CC(C)c1nc(NCc2nncn2C)cc[nH+]1 ZINC000110128068 397902867 /nfs/dbraw/zinc/90/28/67/397902867.db2.gz YFBVUXZZOXOMEO-UHFFFAOYSA-N 1 2 232.291 1.341 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCCOC2)nc[nH+]1 ZINC000110587144 397904669 /nfs/dbraw/zinc/90/46/69/397904669.db2.gz OLMOXZZVTSSWLP-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364786220 397912303 /nfs/dbraw/zinc/91/23/03/397912303.db2.gz AMWOHZSEHXGRPF-ZYHUDNBSSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364786220 397912305 /nfs/dbraw/zinc/91/23/05/397912305.db2.gz AMWOHZSEHXGRPF-ZYHUDNBSSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364786218 397912568 /nfs/dbraw/zinc/91/25/68/397912568.db2.gz AMWOHZSEHXGRPF-PWSUYJOCSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364786218 397912572 /nfs/dbraw/zinc/91/25/72/397912572.db2.gz AMWOHZSEHXGRPF-PWSUYJOCSA-N 1 2 241.331 1.439 20 0 BDADLO CSCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000151704574 397919751 /nfs/dbraw/zinc/91/97/51/397919751.db2.gz QKHMTJYNTDONEL-UHFFFAOYSA-N 1 2 225.317 1.746 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000360310982 397964516 /nfs/dbraw/zinc/96/45/16/397964516.db2.gz NGFYWBJNSOBEDG-RKDXNWHRSA-N 1 2 239.319 1.253 20 0 BDADLO c1cn(CCCN2CCC[C@H]2c2ncon2)c[nH+]1 ZINC000371476900 397991987 /nfs/dbraw/zinc/99/19/87/397991987.db2.gz GTHLUQLHCDETLE-NSHDSACASA-N 1 2 247.302 1.493 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccno1 ZINC000274816754 398015669 /nfs/dbraw/zinc/01/56/69/398015669.db2.gz AOTPQEGNHBRHBM-KOLCDFICSA-N 1 2 238.287 1.448 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccno1 ZINC000274816754 398015670 /nfs/dbraw/zinc/01/56/70/398015670.db2.gz AOTPQEGNHBRHBM-KOLCDFICSA-N 1 2 238.287 1.448 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccnc1 ZINC000274969858 398017736 /nfs/dbraw/zinc/01/77/36/398017736.db2.gz KJSFDTXTJYVOKO-DGCLKSJQSA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccnc1 ZINC000274969858 398017739 /nfs/dbraw/zinc/01/77/39/398017739.db2.gz KJSFDTXTJYVOKO-DGCLKSJQSA-N 1 2 248.326 1.855 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)C(C)(F)F ZINC000356511367 398021018 /nfs/dbraw/zinc/02/10/18/398021018.db2.gz WNNFCOIUJYIBOP-ZETCQYMHSA-N 1 2 231.246 1.328 20 0 BDADLO CC(=O)Nc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000555900197 398022591 /nfs/dbraw/zinc/02/25/91/398022591.db2.gz JIIJKWVHCPEARR-UHFFFAOYSA-N 1 2 230.271 1.980 20 0 BDADLO Cc1nc(C[N@@H+]2CCC23CCCC3)no1 ZINC000649656228 398024425 /nfs/dbraw/zinc/02/44/25/398024425.db2.gz DVZWLCVRUNDACK-UHFFFAOYSA-N 1 2 207.277 1.897 20 0 BDADLO Cc1nc(C[N@H+]2CCC23CCCC3)no1 ZINC000649656228 398024427 /nfs/dbraw/zinc/02/44/27/398024427.db2.gz DVZWLCVRUNDACK-UHFFFAOYSA-N 1 2 207.277 1.897 20 0 BDADLO Cn1cccc1CN1CCc2c([nH+]cn2C)C1 ZINC000376203878 398026431 /nfs/dbraw/zinc/02/64/31/398026431.db2.gz TXMNFYQKMFWARR-UHFFFAOYSA-N 1 2 230.315 1.317 20 0 BDADLO OC1(C2CC[NH+](Cc3cnns3)CC2)CC1 ZINC000649670779 398032110 /nfs/dbraw/zinc/03/21/10/398032110.db2.gz ZABGBOISVALFDI-UHFFFAOYSA-N 1 2 239.344 1.275 20 0 BDADLO OC1(C2CC[NH+](Cc3csnn3)CC2)CC1 ZINC000649670349 398032130 /nfs/dbraw/zinc/03/21/30/398032130.db2.gz ITZFSUPNJIILKB-UHFFFAOYSA-N 1 2 239.344 1.275 20 0 BDADLO Cc1nc(C[NH+]2CCC(C3(O)CC3)CC2)no1 ZINC000649674583 398033437 /nfs/dbraw/zinc/03/34/37/398033437.db2.gz WZHAARGPYDCVMH-UHFFFAOYSA-N 1 2 237.303 1.115 20 0 BDADLO CC(C)CNC(=O)NCCNc1cccc[nH+]1 ZINC000045571766 398040339 /nfs/dbraw/zinc/04/03/39/398040339.db2.gz JQYQGNVFSYYFQZ-UHFFFAOYSA-N 1 2 236.319 1.449 20 0 BDADLO CN(C)C(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000649693052 398041302 /nfs/dbraw/zinc/04/13/02/398041302.db2.gz OWNZOFWAQQPPHD-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CN(C)C(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000649693052 398041304 /nfs/dbraw/zinc/04/13/04/398041304.db2.gz OWNZOFWAQQPPHD-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@H](SC)C1 ZINC000451321606 397971827 /nfs/dbraw/zinc/97/18/27/397971827.db2.gz DBEUMZZRGJUQFY-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@H](SC)C1 ZINC000451321606 397971832 /nfs/dbraw/zinc/97/18/32/397971832.db2.gz DBEUMZZRGJUQFY-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2n(n1)CCC2 ZINC000649588161 397972098 /nfs/dbraw/zinc/97/20/98/397972098.db2.gz DECMHEMGBUWJDE-TXEJJXNPSA-N 1 2 245.326 1.525 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2n(n1)CCC2 ZINC000649588161 397972103 /nfs/dbraw/zinc/97/21/03/397972103.db2.gz DECMHEMGBUWJDE-TXEJJXNPSA-N 1 2 245.326 1.525 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC000279259403 398042569 /nfs/dbraw/zinc/04/25/69/398042569.db2.gz UUBXGHBASPDVJI-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000353174728 397988104 /nfs/dbraw/zinc/98/81/04/397988104.db2.gz QFSOBYNRDKADHS-AAEUAGOBSA-N 1 2 237.347 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000353174728 397988108 /nfs/dbraw/zinc/98/81/08/397988108.db2.gz QFSOBYNRDKADHS-AAEUAGOBSA-N 1 2 237.347 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000353174733 397988643 /nfs/dbraw/zinc/98/86/43/397988643.db2.gz QFSOBYNRDKADHS-YPMHNXCESA-N 1 2 237.347 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000353174733 397988646 /nfs/dbraw/zinc/98/86/46/397988646.db2.gz QFSOBYNRDKADHS-YPMHNXCESA-N 1 2 237.347 1.701 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)[C@H](CC)CO1 ZINC000649718282 398060388 /nfs/dbraw/zinc/06/03/88/398060388.db2.gz WTRIBYMAVAJYEZ-ZYHUDNBSSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)[C@H](CC)CO1 ZINC000649718282 398060390 /nfs/dbraw/zinc/06/03/90/398060390.db2.gz WTRIBYMAVAJYEZ-ZYHUDNBSSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc[nH]n2)[C@@H](CC)CO1 ZINC000649719133 398061761 /nfs/dbraw/zinc/06/17/61/398061761.db2.gz MDTLDLUAAHXJGO-RYUDHWBXSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](CC)CO1 ZINC000649719133 398061764 /nfs/dbraw/zinc/06/17/64/398061764.db2.gz MDTLDLUAAHXJGO-RYUDHWBXSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](CC)CO1 ZINC000649723087 398066226 /nfs/dbraw/zinc/06/62/26/398066226.db2.gz XUJOYZPNVLFCCO-RYUDHWBXSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](CC)CO1 ZINC000649723087 398066229 /nfs/dbraw/zinc/06/62/29/398066229.db2.gz XUJOYZPNVLFCCO-RYUDHWBXSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649729888 398068393 /nfs/dbraw/zinc/06/83/93/398068393.db2.gz HMYTXVGFBZKVMB-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649729888 398068397 /nfs/dbraw/zinc/06/83/97/398068397.db2.gz HMYTXVGFBZKVMB-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000384141389 398070413 /nfs/dbraw/zinc/07/04/13/398070413.db2.gz DMJGOOVJBCHDBK-VXNVDRBHSA-N 1 2 249.343 1.839 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2C)[C@H](C)CO1 ZINC000649733727 398074531 /nfs/dbraw/zinc/07/45/31/398074531.db2.gz NGVKXKRCFFTXJE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2C)[C@H](C)CO1 ZINC000649733727 398074533 /nfs/dbraw/zinc/07/45/33/398074533.db2.gz NGVKXKRCFFTXJE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO Cc1cc(N)cc(NCc2c[nH+]cn2C)c1 ZINC000384200271 398074685 /nfs/dbraw/zinc/07/46/85/398074685.db2.gz AUZGDWJQOASGHY-UHFFFAOYSA-N 1 2 216.288 1.923 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2C)[C@@H](C)CO1 ZINC000649733725 398074950 /nfs/dbraw/zinc/07/49/50/398074950.db2.gz NGVKXKRCFFTXJE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2C)[C@@H](C)CO1 ZINC000649733725 398074953 /nfs/dbraw/zinc/07/49/53/398074953.db2.gz NGVKXKRCFFTXJE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO c1cc(C[NH2+]C[C@H]2COc3ccccc32)[nH]n1 ZINC000288682532 398084510 /nfs/dbraw/zinc/08/45/10/398084510.db2.gz XFWXHFBGMXAIOQ-JTQLQIEISA-N 1 2 229.283 1.676 20 0 BDADLO O=C(CCCC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000643233348 398086799 /nfs/dbraw/zinc/08/67/99/398086799.db2.gz HHKWFGSGDVCKFX-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO O=C(CCCC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000643233348 398086804 /nfs/dbraw/zinc/08/68/04/398086804.db2.gz HHKWFGSGDVCKFX-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736306 398095835 /nfs/dbraw/zinc/09/58/35/398095835.db2.gz HPUZLMGMMALDKD-UWVGGRQHSA-N 1 2 235.331 1.977 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736306 398095838 /nfs/dbraw/zinc/09/58/38/398095838.db2.gz HPUZLMGMMALDKD-UWVGGRQHSA-N 1 2 235.331 1.977 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185131869 398090057 /nfs/dbraw/zinc/09/00/57/398090057.db2.gz VTEYTPFTWAQTLH-WCQYABFASA-N 1 2 249.314 1.029 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185131869 398090059 /nfs/dbraw/zinc/09/00/59/398090059.db2.gz VTEYTPFTWAQTLH-WCQYABFASA-N 1 2 249.314 1.029 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000649703760 398051024 /nfs/dbraw/zinc/05/10/24/398051024.db2.gz LMFHATCAGCWPTR-LLVKDONJSA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000649703760 398051030 /nfs/dbraw/zinc/05/10/30/398051030.db2.gz LMFHATCAGCWPTR-LLVKDONJSA-N 1 2 241.360 1.928 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCC1(C)C)CC2 ZINC000613400796 398098409 /nfs/dbraw/zinc/09/84/09/398098409.db2.gz BACXPZYPWFQYCE-NSHDSACASA-N 1 2 247.342 1.970 20 0 BDADLO NCC(F)(F)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000414929921 398110785 /nfs/dbraw/zinc/11/07/85/398110785.db2.gz OLBQLVQYDZMLRG-LBPRGKRZSA-N 1 2 240.297 1.728 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000294598958 398128260 /nfs/dbraw/zinc/12/82/60/398128260.db2.gz NABKBZFNDXJVQS-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000372955533 167021909 /nfs/dbraw/zinc/02/19/09/167021909.db2.gz NWJXRIAQGWSABP-WCQYABFASA-N 1 2 241.331 1.343 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccncc1 ZINC000182416297 167049848 /nfs/dbraw/zinc/04/98/48/167049848.db2.gz NFKODGVQXRXGQH-UHFFFAOYSA-N 1 2 221.304 1.038 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccncc1 ZINC000182416297 167049850 /nfs/dbraw/zinc/04/98/50/167049850.db2.gz NFKODGVQXRXGQH-UHFFFAOYSA-N 1 2 221.304 1.038 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1csnn1)c1cnn(C)c1 ZINC000398259761 322868280 /nfs/dbraw/zinc/86/82/80/322868280.db2.gz BSKMUQLRPUTDKE-YUMQZZPRSA-N 1 2 237.332 1.683 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](OC)C2)s1 ZINC000680059737 487529620 /nfs/dbraw/zinc/52/96/20/487529620.db2.gz OBMCJPSDCICAQY-QMMMGPOBSA-N 1 2 227.333 1.321 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](OC)C2)s1 ZINC000680059737 487529623 /nfs/dbraw/zinc/52/96/23/487529623.db2.gz OBMCJPSDCICAQY-QMMMGPOBSA-N 1 2 227.333 1.321 20 0 BDADLO CCN(Cc1ccccn1)c1cc(CO)cc[nH+]1 ZINC000094923569 487564257 /nfs/dbraw/zinc/56/42/57/487564257.db2.gz HVLXSIMGJZOPHX-UHFFFAOYSA-N 1 2 243.310 1.995 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cccn1C ZINC000093773356 167170505 /nfs/dbraw/zinc/17/05/05/167170505.db2.gz QOLWISGYDQXCLN-NSHDSACASA-N 1 2 238.331 1.797 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cccn1C ZINC000093773356 167170508 /nfs/dbraw/zinc/17/05/08/167170508.db2.gz QOLWISGYDQXCLN-NSHDSACASA-N 1 2 238.331 1.797 20 0 BDADLO COC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000527013924 487566834 /nfs/dbraw/zinc/56/68/34/487566834.db2.gz UYPBEEPDBMTKEG-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO COC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000527013924 487566840 /nfs/dbraw/zinc/56/68/40/487566840.db2.gz UYPBEEPDBMTKEG-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1(C(F)F)CC1 ZINC000527024385 487567403 /nfs/dbraw/zinc/56/74/03/487567403.db2.gz PCAVWDQGDQYNIE-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1(C(F)F)CC1 ZINC000527024385 487567410 /nfs/dbraw/zinc/56/74/10/487567410.db2.gz PCAVWDQGDQYNIE-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO Cc1noc(C)c1N(C)Cc1c[nH+]cn1C ZINC000674373171 487567992 /nfs/dbraw/zinc/56/79/92/487567992.db2.gz WWWXFMZBYYPZEY-UHFFFAOYSA-N 1 2 220.276 1.661 20 0 BDADLO CC(=O)c1ccnc(N(C)Cc2[nH+]ccn2C)c1 ZINC000094997323 487568228 /nfs/dbraw/zinc/56/82/28/487568228.db2.gz HXRQQLZWZKLODH-UHFFFAOYSA-N 1 2 244.298 1.654 20 0 BDADLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC000674413427 487571646 /nfs/dbraw/zinc/57/16/46/487571646.db2.gz AYJZCFRKUPRKFR-TXEJJXNPSA-N 1 2 235.331 1.778 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2ccoc2)no1 ZINC000685687296 487573402 /nfs/dbraw/zinc/57/34/02/487573402.db2.gz CAQQLPDBOOZBCX-UHFFFAOYSA-N 1 2 230.227 1.654 20 0 BDADLO CC(C)OCCCC(=O)NCCn1cc[nH+]c1 ZINC000181620416 167204090 /nfs/dbraw/zinc/20/40/90/167204090.db2.gz MWXUTMSCOWRPNF-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672154978 487574856 /nfs/dbraw/zinc/57/48/56/487574856.db2.gz VEGQWWDJMDZDRG-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)OCCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352762826 167216778 /nfs/dbraw/zinc/21/67/78/167216778.db2.gz YHLAANPDNIGLIN-ABAIWWIYSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OCCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352762826 167216780 /nfs/dbraw/zinc/21/67/80/167216780.db2.gz YHLAANPDNIGLIN-ABAIWWIYSA-N 1 2 233.377 1.254 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000674468294 487584633 /nfs/dbraw/zinc/58/46/33/487584633.db2.gz YCYHHVVUTQLIKP-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000674468294 487584639 /nfs/dbraw/zinc/58/46/39/487584639.db2.gz YCYHHVVUTQLIKP-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000674494378 487587424 /nfs/dbraw/zinc/58/74/24/487587424.db2.gz XPOXZFJUYQFQFG-MRVPVSSYSA-N 1 2 247.302 1.053 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3coc(C)n3)C2)c1 ZINC000585639805 487591511 /nfs/dbraw/zinc/59/15/11/487591511.db2.gz MMEFRPQNTHQFJX-ZDUSSCGKSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3coc(C)n3)C2)c1 ZINC000585639805 487591517 /nfs/dbraw/zinc/59/15/17/487591517.db2.gz MMEFRPQNTHQFJX-ZDUSSCGKSA-N 1 2 246.314 1.935 20 0 BDADLO CCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000685897412 487592702 /nfs/dbraw/zinc/59/27/02/487592702.db2.gz YTXMVQXBURSLID-UHFFFAOYSA-N 1 2 222.292 1.208 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC12CCCC2 ZINC000574953109 487595907 /nfs/dbraw/zinc/59/59/07/487595907.db2.gz BAGAWFUJRMAJSU-SNVBAGLBSA-N 1 2 248.330 1.552 20 0 BDADLO OC[C@H](CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000685931559 487599583 /nfs/dbraw/zinc/59/95/83/487599583.db2.gz PIDJFOOPUNODMR-NSHDSACASA-N 1 2 233.315 1.784 20 0 BDADLO C[C@@H](O)[C@@H](C)n1cc[nH+]c1-c1ccncc1 ZINC000531038997 487600870 /nfs/dbraw/zinc/60/08/70/487600870.db2.gz NJBQCCFNJVQXCO-NXEZZACHSA-N 1 2 217.272 1.887 20 0 BDADLO CC(C)(C)n1cc(CNCc2[nH]cc[nH+]2)nn1 ZINC000232510878 487601255 /nfs/dbraw/zinc/60/12/55/487601255.db2.gz PDJQBGDLKCZRIR-UHFFFAOYSA-N 1 2 234.307 1.046 20 0 BDADLO CC(C)SCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000376693707 167324137 /nfs/dbraw/zinc/32/41/37/167324137.db2.gz IGUKTTIJUMATPG-VIFPVBQESA-N 1 2 239.331 1.830 20 0 BDADLO CC(C)SCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000376693707 167324138 /nfs/dbraw/zinc/32/41/38/167324138.db2.gz IGUKTTIJUMATPG-VIFPVBQESA-N 1 2 239.331 1.830 20 0 BDADLO CC(C)SCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000338314317 167326193 /nfs/dbraw/zinc/32/61/93/167326193.db2.gz KJIGJFRQBWUMQU-HZMBPMFUSA-N 1 2 235.418 1.581 20 0 BDADLO CC(C)SCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000338314317 167326195 /nfs/dbraw/zinc/32/61/95/167326195.db2.gz KJIGJFRQBWUMQU-HZMBPMFUSA-N 1 2 235.418 1.581 20 0 BDADLO CC(C)SCC[NH+]1CCS(=O)CC1 ZINC000336643951 167326374 /nfs/dbraw/zinc/32/63/74/167326374.db2.gz LWRNIKPNTYQJDR-UHFFFAOYSA-N 1 2 221.391 1.192 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000653887912 487608881 /nfs/dbraw/zinc/60/88/81/487608881.db2.gz ALYCCXMLWOBKAE-VIFPVBQESA-N 1 2 213.281 1.235 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000653887912 487608884 /nfs/dbraw/zinc/60/88/84/487608884.db2.gz ALYCCXMLWOBKAE-VIFPVBQESA-N 1 2 213.281 1.235 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(COC)CC1 ZINC000193346066 487610034 /nfs/dbraw/zinc/61/00/34/487610034.db2.gz WCBXSETYXDTCGE-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO COc1cccc2c1C[N@H+](CC(=O)N(C)C)CC2 ZINC000650105879 409586076 /nfs/dbraw/zinc/58/60/76/409586076.db2.gz UQDARVNDUGMLKC-UHFFFAOYSA-N 1 2 248.326 1.142 20 0 BDADLO COc1cccc2c1C[N@@H+](CC(=O)N(C)C)CC2 ZINC000650105879 409586083 /nfs/dbraw/zinc/58/60/83/409586083.db2.gz UQDARVNDUGMLKC-UHFFFAOYSA-N 1 2 248.326 1.142 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1=CCCC1 ZINC000660844939 409844578 /nfs/dbraw/zinc/84/45/78/409844578.db2.gz XMOKJTPCZHOYDS-UHFFFAOYSA-N 1 2 209.249 1.317 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1=CCCC1 ZINC000660844939 409844584 /nfs/dbraw/zinc/84/45/84/409844584.db2.gz XMOKJTPCZHOYDS-UHFFFAOYSA-N 1 2 209.249 1.317 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC000660833429 409814409 /nfs/dbraw/zinc/81/44/09/409814409.db2.gz OCQAYTWKMUXQQF-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC000660833429 409814416 /nfs/dbraw/zinc/81/44/16/409814416.db2.gz OCQAYTWKMUXQQF-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(OC)no2)[C@@H](C)CO1 ZINC000660915333 409963480 /nfs/dbraw/zinc/96/34/80/409963480.db2.gz ZKHSHAMGEBRVTF-VHSXEESVSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(OC)no2)[C@@H](C)CO1 ZINC000660915333 409963487 /nfs/dbraw/zinc/96/34/87/409963487.db2.gz ZKHSHAMGEBRVTF-VHSXEESVSA-N 1 2 240.303 1.683 20 0 BDADLO Cc1noc(C[N@H+](C)CCO[C@H]2CC2(F)F)n1 ZINC000660925235 409972287 /nfs/dbraw/zinc/97/22/87/409972287.db2.gz ACGQOAYAKIMSJO-QMMMGPOBSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1noc(C[N@@H+](C)CCO[C@H]2CC2(F)F)n1 ZINC000660925235 409972291 /nfs/dbraw/zinc/97/22/91/409972291.db2.gz ACGQOAYAKIMSJO-QMMMGPOBSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@@H]2COC(C)(C)C2)n1 ZINC000660926052 409973084 /nfs/dbraw/zinc/97/30/84/409973084.db2.gz KPJIXWAXJSOXIX-VIFPVBQESA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C)[C@@H]2COC(C)(C)C2)n1 ZINC000660926052 409973093 /nfs/dbraw/zinc/97/30/93/409973093.db2.gz KPJIXWAXJSOXIX-VIFPVBQESA-N 1 2 225.292 1.377 20 0 BDADLO C[C@H]1C[C@H](NC(=O)N2CC=CCC2)c2[nH+]ccn21 ZINC000653175711 410151785 /nfs/dbraw/zinc/15/17/85/410151785.db2.gz UOEQUOVOHABPRL-QWRGUYRKSA-N 1 2 246.314 1.860 20 0 BDADLO C[C@H](COCC1CC1)[NH2+]Cc1csnn1 ZINC000651982480 410125453 /nfs/dbraw/zinc/12/54/53/410125453.db2.gz ZZGUHGBDQGESBW-MRVPVSSYSA-N 1 2 227.333 1.443 20 0 BDADLO Cc1nc(NCc2ncc3c(n2)CCC3)cc[nH+]1 ZINC000663998326 410423690 /nfs/dbraw/zinc/42/36/90/410423690.db2.gz KKSSRJYGUYTKFS-UHFFFAOYSA-N 1 2 241.298 1.676 20 0 BDADLO Cc1nc(NC/C=C\CO)c2c([nH+]1)CCCC2 ZINC000664238670 410524925 /nfs/dbraw/zinc/52/49/25/410524925.db2.gz ZDNJZOJXXSTSHE-PLNGDYQASA-N 1 2 233.315 1.624 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1CC2(CCC2)C1 ZINC000650838739 410530923 /nfs/dbraw/zinc/53/09/23/410530923.db2.gz VYLIEFIZHZOTPS-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC12CCCC2 ZINC000650838037 410531471 /nfs/dbraw/zinc/53/14/71/410531471.db2.gz AQNLBJVPOPWXGC-UHFFFAOYSA-N 1 2 248.330 1.648 20 0 BDADLO CN(C[C@@H]1COCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000664343559 410560597 /nfs/dbraw/zinc/56/05/97/410560597.db2.gz XOCUBGSBDYNYNL-SNVBAGLBSA-N 1 2 247.298 1.415 20 0 BDADLO CC(C)(C)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340888094 166543949 /nfs/dbraw/zinc/54/39/49/166543949.db2.gz DTPYGWHHAWVPRM-UHFFFAOYSA-N 1 2 238.335 1.768 20 0 BDADLO O[C@H]1CC[N@H+](CCC[C@H]2CCOC2)CC1(F)F ZINC000661414275 410624827 /nfs/dbraw/zinc/62/48/27/410624827.db2.gz SCTLFZMNJZTMQA-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)CC1(F)F ZINC000661414275 410624831 /nfs/dbraw/zinc/62/48/31/410624831.db2.gz SCTLFZMNJZTMQA-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2cscn2)o1 ZINC000661529042 410728683 /nfs/dbraw/zinc/72/86/83/410728683.db2.gz IDIHOKCVBUSAJL-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2cscn2)o1 ZINC000661529042 410728688 /nfs/dbraw/zinc/72/86/88/410728688.db2.gz IDIHOKCVBUSAJL-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO CCn1cc(CC[N@H+](C)Cc2nnc(C)o2)cn1 ZINC000661529041 410730151 /nfs/dbraw/zinc/73/01/51/410730151.db2.gz ICBUVSKOTHUFKO-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1cc(CC[N@@H+](C)Cc2nnc(C)o2)cn1 ZINC000661529041 410730155 /nfs/dbraw/zinc/73/01/55/410730155.db2.gz ICBUVSKOTHUFKO-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000651019447 410755108 /nfs/dbraw/zinc/75/51/08/410755108.db2.gz CNQGIFUASZQUTP-SNVBAGLBSA-N 1 2 247.342 1.677 20 0 BDADLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000651090807 410799125 /nfs/dbraw/zinc/79/91/25/410799125.db2.gz GFAYGMJXRYKULK-UHFFFAOYSA-N 1 2 233.315 1.383 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651105489 410811851 /nfs/dbraw/zinc/81/18/51/410811851.db2.gz ZODBEPHMOFGVCI-QWRGUYRKSA-N 1 2 247.342 1.534 20 0 BDADLO CC(C)CCO[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000341747056 166880184 /nfs/dbraw/zinc/88/01/84/166880184.db2.gz CCFHABAZSITZAD-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000040863942 410895963 /nfs/dbraw/zinc/89/59/63/410895963.db2.gz IGGSMACUHCLQBK-JTQLQIEISA-N 1 2 206.289 1.953 20 0 BDADLO CC(C)NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180271419 167052781 /nfs/dbraw/zinc/05/27/81/167052781.db2.gz FMEBUSAKTQDYGW-UHFFFAOYSA-N 1 2 247.342 1.571 20 0 BDADLO CC(C)NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180271419 167052785 /nfs/dbraw/zinc/05/27/85/167052785.db2.gz FMEBUSAKTQDYGW-UHFFFAOYSA-N 1 2 247.342 1.571 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@@H]1C1CCCC1 ZINC000651302708 410910467 /nfs/dbraw/zinc/91/04/67/410910467.db2.gz OHHLLCKNXNSJHN-NEPJUHHUSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CCCC1 ZINC000651302709 410910548 /nfs/dbraw/zinc/91/05/48/410910548.db2.gz OHHLLCKNXNSJHN-NWDGAFQWSA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)OCCC[S@@](=O)Cc1c[nH+]cn1C ZINC000276667347 167225758 /nfs/dbraw/zinc/22/57/58/167225758.db2.gz IPCJKQYPQLSEPX-MRXNPFEDSA-N 1 2 244.360 1.484 20 0 BDADLO CC(C)SCCNC(=O)Cn1cc[nH+]c1 ZINC000286863110 167328100 /nfs/dbraw/zinc/32/81/00/167328100.db2.gz CEOAECCYFPCRRX-UHFFFAOYSA-N 1 2 227.333 1.141 20 0 BDADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)C(F)(F)F ZINC000398004073 410937762 /nfs/dbraw/zinc/93/77/62/410937762.db2.gz PKWIXEJBDDWRQJ-WDSKDSINSA-N 1 2 233.180 1.687 20 0 BDADLO OCc1cc[nH+]c(N2CCCSCC2)c1 ZINC000042444456 411008598 /nfs/dbraw/zinc/00/85/98/411008598.db2.gz DHOHVODTZRJXHI-UHFFFAOYSA-N 1 2 224.329 1.517 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)C[C@H]2COCCO2)o1 ZINC000661612693 411056092 /nfs/dbraw/zinc/05/60/92/411056092.db2.gz TZHAFIZIUAOEOX-MNOVXSKESA-N 1 2 240.303 1.391 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H]2COCCO2)o1 ZINC000661612693 411056098 /nfs/dbraw/zinc/05/60/98/411056098.db2.gz TZHAFIZIUAOEOX-MNOVXSKESA-N 1 2 240.303 1.391 20 0 BDADLO CC[C@H](CNc1cc[nH+]c(C2CC2)n1)C(=O)OC ZINC000591977246 411132106 /nfs/dbraw/zinc/13/21/06/411132106.db2.gz VZFJHAXFMBXCNE-SECBINFHSA-N 1 2 249.314 1.387 20 0 BDADLO FCC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000661688793 411150628 /nfs/dbraw/zinc/15/06/28/411150628.db2.gz IGNKJLQVSLBQCA-VIFPVBQESA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000661688793 411150629 /nfs/dbraw/zinc/15/06/29/411150629.db2.gz IGNKJLQVSLBQCA-VIFPVBQESA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000661688793 411150630 /nfs/dbraw/zinc/15/06/30/411150630.db2.gz IGNKJLQVSLBQCA-VIFPVBQESA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000661688793 411150631 /nfs/dbraw/zinc/15/06/31/411150631.db2.gz IGNKJLQVSLBQCA-VIFPVBQESA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000661688793 411150632 /nfs/dbraw/zinc/15/06/32/411150632.db2.gz IGNKJLQVSLBQCA-VIFPVBQESA-N 1 2 212.272 1.376 20 0 BDADLO FCC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000661688793 411150633 /nfs/dbraw/zinc/15/06/33/411150633.db2.gz IGNKJLQVSLBQCA-VIFPVBQESA-N 1 2 212.272 1.376 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CC)c2)[C@@H](C)CO1 ZINC000651931432 411150794 /nfs/dbraw/zinc/15/07/94/411150794.db2.gz RZRWXHSKDGHZFE-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)[C@@H](C)CO1 ZINC000651931432 411150795 /nfs/dbraw/zinc/15/07/95/411150795.db2.gz RZRWXHSKDGHZFE-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)cnn2C)[C@@H](C)CO1 ZINC000651932338 411150835 /nfs/dbraw/zinc/15/08/35/411150835.db2.gz RQSDPKNXFYRIDJ-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)cnn2C)[C@@H](C)CO1 ZINC000651932338 411150836 /nfs/dbraw/zinc/15/08/36/411150836.db2.gz RQSDPKNXFYRIDJ-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@@H](CC(=O)N1CC(C)(C)C1)n1cc[nH+]c1 ZINC000651931255 411150913 /nfs/dbraw/zinc/15/09/13/411150913.db2.gz OSYRWINUCLSVTI-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CO[C@H](C)C2)c1 ZINC000652067728 411103486 /nfs/dbraw/zinc/10/34/86/411103486.db2.gz DVGZUPSHHYNQBM-MWLCHTKSSA-N 1 2 222.288 1.817 20 0 BDADLO CC(C)c1nn(C)cc1NCc1c[nH+]cn1C ZINC000280170203 167701502 /nfs/dbraw/zinc/70/15/02/167701502.db2.gz BOYNUFHQQAZESY-UHFFFAOYSA-N 1 2 233.319 1.889 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCCOC2)c1 ZINC000652068532 411104794 /nfs/dbraw/zinc/10/47/94/411104794.db2.gz GNZPZEAHCWFLMW-NSHDSACASA-N 1 2 222.288 1.819 20 0 BDADLO COCc1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000043594470 411123246 /nfs/dbraw/zinc/12/32/46/411123246.db2.gz RFPNWRUDFRTAIH-GFCCVEGCSA-N 1 2 245.282 1.451 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)co1 ZINC000660006171 411167975 /nfs/dbraw/zinc/16/79/75/411167975.db2.gz ICJKSGIQWLLGOK-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nc(C[N@H+]2CCOC(C)(C)[C@@H]2C)co1 ZINC000660006171 411167977 /nfs/dbraw/zinc/16/79/77/411167977.db2.gz ICJKSGIQWLLGOK-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO CSc1ccc(N[C@@H](C)Cn2cncn2)[nH+]c1 ZINC000657951032 411178772 /nfs/dbraw/zinc/17/87/72/411178772.db2.gz WRWWBBHCKAIRTH-VIFPVBQESA-N 1 2 249.343 1.896 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCCOCC1 ZINC000656112978 411181949 /nfs/dbraw/zinc/18/19/49/411181949.db2.gz XGYRWBJYHJZAQY-UHFFFAOYSA-N 1 2 223.276 1.020 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656125225 411183408 /nfs/dbraw/zinc/18/34/08/411183408.db2.gz BLWKPLDLYZTUTH-WCBMZHEXSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](C)C[C@@H](C)O ZINC000656128426 411184153 /nfs/dbraw/zinc/18/41/53/411184153.db2.gz RAPMXZJUXNZTSX-PSASIEDQSA-N 1 2 223.320 1.912 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C)[C@H](F)C1 ZINC000656152711 411187052 /nfs/dbraw/zinc/18/70/52/411187052.db2.gz DFJXHOLIOFXCDA-HTQZYQBOSA-N 1 2 240.282 1.252 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C)[C@H](F)C1 ZINC000656152711 411187054 /nfs/dbraw/zinc/18/70/54/411187054.db2.gz DFJXHOLIOFXCDA-HTQZYQBOSA-N 1 2 240.282 1.252 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](C)[C@H](F)C1 ZINC000656153418 411188763 /nfs/dbraw/zinc/18/87/63/411188763.db2.gz QVHMGTRNBWQLAI-WCBMZHEXSA-N 1 2 239.294 1.978 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](O)[C@H](C)C1 ZINC000656164102 411189474 /nfs/dbraw/zinc/18/94/74/411189474.db2.gz CKNCKMWPPBLNOK-PSASIEDQSA-N 1 2 237.303 1.001 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3COC[C@]3(C)C2)no1 ZINC000661698958 411189987 /nfs/dbraw/zinc/18/99/87/411189987.db2.gz BVSJIKYWUFYGLL-XRNSZHNASA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3COC[C@]3(C)C2)no1 ZINC000661698958 411189991 /nfs/dbraw/zinc/18/99/91/411189991.db2.gz BVSJIKYWUFYGLL-XRNSZHNASA-N 1 2 237.303 1.407 20 0 BDADLO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(F)F ZINC000343317079 411190247 /nfs/dbraw/zinc/19/02/47/411190247.db2.gz UPGVEVLNXBSTPO-AOOOYVTPSA-N 1 2 234.290 1.047 20 0 BDADLO CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(F)F ZINC000343317079 411190251 /nfs/dbraw/zinc/19/02/51/411190251.db2.gz UPGVEVLNXBSTPO-AOOOYVTPSA-N 1 2 234.290 1.047 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)n1 ZINC000653813364 411191335 /nfs/dbraw/zinc/19/13/35/411191335.db2.gz ASHUGHWKTHAULK-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)n1 ZINC000653813364 411191339 /nfs/dbraw/zinc/19/13/39/411191339.db2.gz ASHUGHWKTHAULK-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C(F)F)C1 ZINC000656184738 411195215 /nfs/dbraw/zinc/19/52/15/411195215.db2.gz IRKQVXSCOVKBKK-ZCFIWIBFSA-N 1 2 244.245 1.159 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C(F)F)C1 ZINC000656184738 411195217 /nfs/dbraw/zinc/19/52/17/411195217.db2.gz IRKQVXSCOVKBKK-ZCFIWIBFSA-N 1 2 244.245 1.159 20 0 BDADLO OCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653833351 411196788 /nfs/dbraw/zinc/19/67/88/411196788.db2.gz GFTNBJGQMGMMMH-UHFFFAOYSA-N 1 2 213.227 1.663 20 0 BDADLO COCC[C@H](COC)Nc1nc(C)[nH+]cc1C ZINC000656189054 411197388 /nfs/dbraw/zinc/19/73/88/411197388.db2.gz PFCABDGEUOVTJG-LLVKDONJSA-N 1 2 239.319 1.557 20 0 BDADLO Cc1ncc(C)c(N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000656189004 411197518 /nfs/dbraw/zinc/19/75/18/411197518.db2.gz JPPASPGYEIUPJZ-SNVBAGLBSA-N 1 2 243.314 1.786 20 0 BDADLO Cc1ncc(C)c(N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000656189004 411197522 /nfs/dbraw/zinc/19/75/22/411197522.db2.gz JPPASPGYEIUPJZ-SNVBAGLBSA-N 1 2 243.314 1.786 20 0 BDADLO CC[C@@H](CNc1nc[nH+]c(C)c1OC)OC ZINC000656189120 411197647 /nfs/dbraw/zinc/19/76/47/411197647.db2.gz XLWRRIXTUVAEMN-VIFPVBQESA-N 1 2 225.292 1.631 20 0 BDADLO Cc1cc(N)nc(SCCCCC(N)=O)[nH+]1 ZINC000065724516 411200283 /nfs/dbraw/zinc/20/02/83/411200283.db2.gz BMNCYQZRKVWFQU-UHFFFAOYSA-N 1 2 240.332 1.115 20 0 BDADLO CCc1nc([C@H]2CCCC[N@@H+]2C[C@@H](C)O)no1 ZINC000656415576 411245258 /nfs/dbraw/zinc/24/52/58/411245258.db2.gz NGRIYFFULWBSLR-NXEZZACHSA-N 1 2 239.319 1.540 20 0 BDADLO CCc1nc([C@H]2CCCC[N@H+]2C[C@@H](C)O)no1 ZINC000656415576 411245261 /nfs/dbraw/zinc/24/52/61/411245261.db2.gz NGRIYFFULWBSLR-NXEZZACHSA-N 1 2 239.319 1.540 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H](C)CC(F)F ZINC000656203575 411207703 /nfs/dbraw/zinc/20/77/03/411207703.db2.gz QYBUSVXOVXYMIT-LURJTMIESA-N 1 2 246.261 1.771 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H](C)CC(F)F ZINC000656203575 411207704 /nfs/dbraw/zinc/20/77/04/411207704.db2.gz QYBUSVXOVXYMIT-LURJTMIESA-N 1 2 246.261 1.771 20 0 BDADLO Cc1noc(C[N@@H+](C)Cc2ccc(CO)cc2)n1 ZINC000653888981 411209299 /nfs/dbraw/zinc/20/92/99/411209299.db2.gz NETXDQUXYVOCES-UHFFFAOYSA-N 1 2 247.298 1.502 20 0 BDADLO Cc1noc(C[N@H+](C)Cc2ccc(CO)cc2)n1 ZINC000653888981 411209303 /nfs/dbraw/zinc/20/93/03/411209303.db2.gz NETXDQUXYVOCES-UHFFFAOYSA-N 1 2 247.298 1.502 20 0 BDADLO CCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000048747808 411213801 /nfs/dbraw/zinc/21/38/01/411213801.db2.gz JMZBQVRIQFBISL-UHFFFAOYSA-N 1 2 217.272 1.669 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C[C@H](C)O)C2CC2)o1 ZINC000653899146 411213932 /nfs/dbraw/zinc/21/39/32/411213932.db2.gz ZCTLPWKIKJAWSV-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nnc(C[N@H+](C[C@H](C)O)C2CC2)o1 ZINC000653899146 411213935 /nfs/dbraw/zinc/21/39/35/411213935.db2.gz ZCTLPWKIKJAWSV-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO C[C@@H](O)CN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000656230164 411216272 /nfs/dbraw/zinc/21/62/72/411216272.db2.gz ONPVBBVCRXEJKY-SECBINFHSA-N 1 2 233.315 1.704 20 0 BDADLO CCc1cc(N(C[C@@H](C)O)C2CC2)nc(C)[nH+]1 ZINC000656230768 411216980 /nfs/dbraw/zinc/21/69/80/411216980.db2.gz WFRCJWSWQVVFMO-SECBINFHSA-N 1 2 235.331 1.697 20 0 BDADLO CO[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C1CCCC1 ZINC000659294215 411220134 /nfs/dbraw/zinc/22/01/34/411220134.db2.gz IVOIVLWNYPRDJR-GFCCVEGCSA-N 1 2 249.314 1.808 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000656269878 411220148 /nfs/dbraw/zinc/22/01/48/411220148.db2.gz UZHHQWVHLCZQFC-KXUCPTDWSA-N 1 2 236.319 1.402 20 0 BDADLO Cn1cc[nH+]c1CN1CC2(CC2(F)F)C1 ZINC000656266395 411221304 /nfs/dbraw/zinc/22/13/04/411221304.db2.gz VRSPVEYOJSWKFR-UHFFFAOYSA-N 1 2 213.231 1.261 20 0 BDADLO C[C@H](CC(=O)Nc1ccc(N)[nH+]c1)[C@H]1CCCO1 ZINC000659295133 411223918 /nfs/dbraw/zinc/22/39/18/411223918.db2.gz QVNYQRIUHVHJJB-MWLCHTKSSA-N 1 2 249.314 1.808 20 0 BDADLO CCCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660099087 411230711 /nfs/dbraw/zinc/23/07/11/411230711.db2.gz DTMKBWKSKIXGTG-VIFPVBQESA-N 1 2 224.308 1.580 20 0 BDADLO CC(C)(NC(=O)c1nccs1)c1[nH]cc[nH+]1 ZINC000652412495 411233575 /nfs/dbraw/zinc/23/35/75/411233575.db2.gz RFJJGLFADWMGPN-UHFFFAOYSA-N 1 2 236.300 1.531 20 0 BDADLO C[C@H](CNc1cc[nH+]c(C(=O)[O-])c1)C[NH+](C)C ZINC000310385522 411235347 /nfs/dbraw/zinc/23/53/47/411235347.db2.gz HRDLOIROXOLRTJ-SECBINFHSA-N 1 2 237.303 1.389 20 0 BDADLO COCC[N@H+](C)Cc1cn(C2CCCC2)nn1 ZINC000656463955 411271982 /nfs/dbraw/zinc/27/19/82/411271982.db2.gz REZQRBXPUKICMR-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C2CCCC2)nn1 ZINC000656463955 411271983 /nfs/dbraw/zinc/27/19/83/411271983.db2.gz REZQRBXPUKICMR-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2C)[nH]1 ZINC000658160871 411274365 /nfs/dbraw/zinc/27/43/65/411274365.db2.gz IFZRBMXIFWJWRG-NXEZZACHSA-N 1 2 238.335 1.619 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccccc2)n1 ZINC000658162899 411275636 /nfs/dbraw/zinc/27/56/36/411275636.db2.gz XHVBMBWMIVENAZ-SNVBAGLBSA-N 1 2 246.314 1.802 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)c2ccccc2)[nH]1 ZINC000658162899 411275642 /nfs/dbraw/zinc/27/56/42/411275642.db2.gz XHVBMBWMIVENAZ-SNVBAGLBSA-N 1 2 246.314 1.802 20 0 BDADLO C[N@H+](CCNc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000062010547 411277696 /nfs/dbraw/zinc/27/76/96/411277696.db2.gz MTMIHIHJCOQJBA-UHFFFAOYSA-N 1 2 235.287 1.286 20 0 BDADLO C[N@@H+](CCNc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000062010547 411277702 /nfs/dbraw/zinc/27/77/02/411277702.db2.gz MTMIHIHJCOQJBA-UHFFFAOYSA-N 1 2 235.287 1.286 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cnccc2C)nn1 ZINC000658177943 411282449 /nfs/dbraw/zinc/28/24/49/411282449.db2.gz XBRDUKYDPVKVMP-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000656494570 411284026 /nfs/dbraw/zinc/28/40/26/411284026.db2.gz NZMAZUROFAZDMB-KOLCDFICSA-N 1 2 226.299 1.478 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000656494570 411284027 /nfs/dbraw/zinc/28/40/27/411284027.db2.gz NZMAZUROFAZDMB-KOLCDFICSA-N 1 2 226.299 1.478 20 0 BDADLO C[C@H](O)C[N@H+](C)CC(=O)c1ccccc1F ZINC000051837269 411285313 /nfs/dbraw/zinc/28/53/13/411285313.db2.gz BEMGLEVWLUBDNL-VIFPVBQESA-N 1 2 225.263 1.321 20 0 BDADLO C[C@H](O)C[N@@H+](C)CC(=O)c1ccccc1F ZINC000051837269 411285316 /nfs/dbraw/zinc/28/53/16/411285316.db2.gz BEMGLEVWLUBDNL-VIFPVBQESA-N 1 2 225.263 1.321 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000656534171 411289906 /nfs/dbraw/zinc/28/99/06/411289906.db2.gz FDHHHPACXUTRMH-XLPZGREQSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000656534171 411289907 /nfs/dbraw/zinc/28/99/07/411289907.db2.gz FDHHHPACXUTRMH-XLPZGREQSA-N 1 2 227.226 1.019 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CCCSC ZINC000300889786 411293165 /nfs/dbraw/zinc/29/31/65/411293165.db2.gz UJBBYCOBJPGKDB-UHFFFAOYSA-N 1 2 242.348 1.257 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CCCSC ZINC000300889786 411293168 /nfs/dbraw/zinc/29/31/68/411293168.db2.gz UJBBYCOBJPGKDB-UHFFFAOYSA-N 1 2 242.348 1.257 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)sn1 ZINC000659813746 411300532 /nfs/dbraw/zinc/30/05/32/411300532.db2.gz JWSCUBPZIFGHQR-DTORHVGOSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)sn1 ZINC000659813746 411300535 /nfs/dbraw/zinc/30/05/35/411300535.db2.gz JWSCUBPZIFGHQR-DTORHVGOSA-N 1 2 242.344 1.761 20 0 BDADLO CCCCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660243990 411304594 /nfs/dbraw/zinc/30/45/94/411304594.db2.gz CCXQVSVGKQGOEA-SNVBAGLBSA-N 1 2 238.335 1.971 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660246881 411306021 /nfs/dbraw/zinc/30/60/21/411306021.db2.gz REIFSIFBDYVRAQ-NXEZZACHSA-N 1 2 238.335 1.969 20 0 BDADLO COC1(c2ccccc2)C[NH+](Cc2cn[nH]c2)C1 ZINC000656622068 411311923 /nfs/dbraw/zinc/31/19/23/411311923.db2.gz QJNHYXXHIHGDLX-UHFFFAOYSA-N 1 2 243.310 1.767 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000659829156 411312600 /nfs/dbraw/zinc/31/26/00/411312600.db2.gz NTEWLSVBUZBJFD-ZJUUUORDSA-N 1 2 238.335 1.132 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000659829156 411312602 /nfs/dbraw/zinc/31/26/02/411312602.db2.gz NTEWLSVBUZBJFD-ZJUUUORDSA-N 1 2 238.335 1.132 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)COCC2CC2)c[nH+]1 ZINC000652907293 411320024 /nfs/dbraw/zinc/32/00/24/411320024.db2.gz HVFXANWSCUBICA-MRVPVSSYSA-N 1 2 237.303 1.263 20 0 BDADLO Cc1nc(C[N@@H+]2CCCCC[C@H]2CO)no1 ZINC000124791913 411320938 /nfs/dbraw/zinc/32/09/38/411320938.db2.gz JQOYDDNYOPLPBE-JTQLQIEISA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCCCC[C@H]2CO)no1 ZINC000124791913 411320939 /nfs/dbraw/zinc/32/09/39/411320939.db2.gz JQOYDDNYOPLPBE-JTQLQIEISA-N 1 2 225.292 1.115 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)noc2C)CCO1 ZINC000045752106 411248792 /nfs/dbraw/zinc/24/87/92/411248792.db2.gz QNVLIVHNKXJLMR-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)noc2C)CCO1 ZINC000045752106 411248794 /nfs/dbraw/zinc/24/87/94/411248794.db2.gz QNVLIVHNKXJLMR-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)CCO1 ZINC000045752668 411248813 /nfs/dbraw/zinc/24/88/13/411248813.db2.gz SDKAYXVBQVTUPZ-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)CCO1 ZINC000045752668 411248816 /nfs/dbraw/zinc/24/88/16/411248816.db2.gz SDKAYXVBQVTUPZ-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1ccc(-n2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000656432836 411249716 /nfs/dbraw/zinc/24/97/16/411249716.db2.gz DPGGYYQUFQVVOV-CYBMUJFWSA-N 1 2 244.298 1.237 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655770323 411252256 /nfs/dbraw/zinc/25/22/56/411252256.db2.gz HEFAENMFQXIBAF-SECBINFHSA-N 1 2 249.343 1.668 20 0 BDADLO c1csc(-n2cc(C[NH+]3CCCCC3)nn2)n1 ZINC000656440303 411257536 /nfs/dbraw/zinc/25/75/36/411257536.db2.gz QOZXMYPTKXWTLJ-UHFFFAOYSA-N 1 2 249.343 1.710 20 0 BDADLO Fc1c[nH+]ccc1NCc1ccnn1CC1CC1 ZINC000656772526 411355174 /nfs/dbraw/zinc/35/51/74/411355174.db2.gz SCMSIGZSHYEWMM-UHFFFAOYSA-N 1 2 246.289 1.861 20 0 BDADLO Cc1nc(C[NH2+]C(C)(C)c2cnn(C)c2)co1 ZINC000660269477 411355256 /nfs/dbraw/zinc/35/52/56/411355256.db2.gz NUXNBIMRFMXDIB-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc(C2CC2)n1C ZINC000656777249 411356875 /nfs/dbraw/zinc/35/68/75/411356875.db2.gz FUUIDOODNIAASC-UHFFFAOYSA-N 1 2 232.291 1.038 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC2(COC2)C1 ZINC000662075843 411358467 /nfs/dbraw/zinc/35/84/67/411358467.db2.gz MPEOFQBCQWASPV-UHFFFAOYSA-N 1 2 235.287 1.169 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CCC2(COC2)C1 ZINC000662075843 411358471 /nfs/dbraw/zinc/35/84/71/411358471.db2.gz MPEOFQBCQWASPV-UHFFFAOYSA-N 1 2 235.287 1.169 20 0 BDADLO Fc1c[nH+]ccc1NCc1cn(C2CCC2)nn1 ZINC000656771782 411364886 /nfs/dbraw/zinc/36/48/86/411364886.db2.gz DXSKZWWHPOOYBX-UHFFFAOYSA-N 1 2 247.277 1.571 20 0 BDADLO CC1(C)[C@H](Nc2nc[nH+]c(N)c2Cl)C[C@@H]1O ZINC000232790195 168002803 /nfs/dbraw/zinc/00/28/03/168002803.db2.gz MRBFUWCBVGXQHB-RITPCOANSA-N 1 2 242.710 1.284 20 0 BDADLO CC1(C)[C@H](Nc2[nH+]cnc(N)c2Cl)C[C@@H]1O ZINC000232790195 168002806 /nfs/dbraw/zinc/00/28/06/168002806.db2.gz MRBFUWCBVGXQHB-RITPCOANSA-N 1 2 242.710 1.284 20 0 BDADLO CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000280168014 168019210 /nfs/dbraw/zinc/01/92/10/168019210.db2.gz XKQGMRHKTOFHJY-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)nn1C ZINC000658338759 411346161 /nfs/dbraw/zinc/34/61/61/411346161.db2.gz KUPSOWFCTZJMFV-MNOVXSKESA-N 1 2 247.346 1.874 20 0 BDADLO Cc1cc([C@@H](C)N[C@@H](C)c2[nH+]ccn2C)nn1C ZINC000658338759 411346165 /nfs/dbraw/zinc/34/61/65/411346165.db2.gz KUPSOWFCTZJMFV-MNOVXSKESA-N 1 2 247.346 1.874 20 0 BDADLO CC1(O)CC(C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000336304841 168065874 /nfs/dbraw/zinc/06/58/74/168065874.db2.gz KZAPVSUKKKSKID-UHFFFAOYSA-N 1 2 249.314 1.319 20 0 BDADLO CC1=C(C(=O)NCc2[nH+]ccn2C)CCC1 ZINC000336160898 168078154 /nfs/dbraw/zinc/07/81/54/168078154.db2.gz ZTKFLWZHFKKROP-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO CC1CC(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000333210303 168142743 /nfs/dbraw/zinc/14/27/43/168142743.db2.gz JWOKHXYERDBZDN-VGRIYTJTSA-N 1 2 248.330 1.987 20 0 BDADLO CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279098131 168171104 /nfs/dbraw/zinc/17/11/04/168171104.db2.gz AFCREIMOAOWWFA-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CCC(=O)CCSc1nc(N)cc(C)[nH+]1 ZINC000117548917 168205107 /nfs/dbraw/zinc/20/51/07/168205107.db2.gz TUNPMNFPTGWENT-UHFFFAOYSA-N 1 2 225.317 1.829 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CO)on1 ZINC000653495424 411390537 /nfs/dbraw/zinc/39/05/37/411390537.db2.gz MBGRZTJYFULPHD-JTQLQIEISA-N 1 2 238.287 1.224 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCCC[C@H]2CO)on1 ZINC000653495424 411390540 /nfs/dbraw/zinc/39/05/40/411390540.db2.gz MBGRZTJYFULPHD-JTQLQIEISA-N 1 2 238.287 1.224 20 0 BDADLO CCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000082274903 168215448 /nfs/dbraw/zinc/21/54/48/168215448.db2.gz BFHVSXLOSFJHPB-UHFFFAOYSA-N 1 2 207.277 1.457 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301676352 168226045 /nfs/dbraw/zinc/22/60/45/168226045.db2.gz QPCITGYYXYSLFI-JTQLQIEISA-N 1 2 234.303 1.208 20 0 BDADLO CCN(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000657004565 411391642 /nfs/dbraw/zinc/39/16/42/411391642.db2.gz VHMRAZYKAYPSIR-IUCAKERBSA-N 1 2 222.292 1.550 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2C)c[nH+]1 ZINC000654380135 411382856 /nfs/dbraw/zinc/38/28/56/411382856.db2.gz BXHPNZMVZJURQK-BXKDBHETSA-N 1 2 218.300 1.971 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000123002938 168237706 /nfs/dbraw/zinc/23/77/06/168237706.db2.gz XNOZEORQFSQEGY-SNVBAGLBSA-N 1 2 237.303 1.165 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000123002938 168237707 /nfs/dbraw/zinc/23/77/07/168237707.db2.gz XNOZEORQFSQEGY-SNVBAGLBSA-N 1 2 237.303 1.165 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1CC2(CCC2)C1 ZINC000652969982 411383391 /nfs/dbraw/zinc/38/33/91/411383391.db2.gz WWDSMWNPUHYWSG-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1CC2(CCC2)C1 ZINC000652969982 411383395 /nfs/dbraw/zinc/38/33/95/411383395.db2.gz WWDSMWNPUHYWSG-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000263838243 168266734 /nfs/dbraw/zinc/26/67/34/168266734.db2.gz UYINGTFCAIWQPA-JTQLQIEISA-N 1 2 223.320 1.824 20 0 BDADLO CCC(C)(C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000365305121 168280836 /nfs/dbraw/zinc/28/08/36/168280836.db2.gz NREGKJSOXYWIKA-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC1(C)C ZINC000654575484 411413587 /nfs/dbraw/zinc/41/35/87/411413587.db2.gz BMWVLSCDVPAWOO-WCBMZHEXSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC1(C)C ZINC000654575484 411413591 /nfs/dbraw/zinc/41/35/91/411413591.db2.gz BMWVLSCDVPAWOO-WCBMZHEXSA-N 1 2 221.304 1.503 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000268206212 411422830 /nfs/dbraw/zinc/42/28/30/411422830.db2.gz UTDRYFZBSQBJOY-QWRGUYRKSA-N 1 2 248.330 1.362 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)sn1 ZINC000659821548 411462604 /nfs/dbraw/zinc/46/26/04/411462604.db2.gz OFKICZIWLMBEDY-BDAKNGLRSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)sn1 ZINC000659821548 411462606 /nfs/dbraw/zinc/46/26/06/411462606.db2.gz OFKICZIWLMBEDY-BDAKNGLRSA-N 1 2 242.344 1.761 20 0 BDADLO CC1(C)COC[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000451821282 411425487 /nfs/dbraw/zinc/42/54/87/411425487.db2.gz CVCQFFKUHVCNHL-SECBINFHSA-N 1 2 237.303 1.462 20 0 BDADLO COC1(C(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000272747953 411434764 /nfs/dbraw/zinc/43/47/64/411434764.db2.gz IHADESZDIUJCBO-UHFFFAOYSA-N 1 2 220.272 1.898 20 0 BDADLO Cc1ccncc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654725845 411436958 /nfs/dbraw/zinc/43/69/58/411436958.db2.gz LQDKEVPSEPRKJF-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccncc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654725845 411436962 /nfs/dbraw/zinc/43/69/62/411436962.db2.gz LQDKEVPSEPRKJF-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO COCCO[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC000660372107 411442427 /nfs/dbraw/zinc/44/24/27/411442427.db2.gz LZZYYVICTZNRAM-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCCO[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC000660372107 411442431 /nfs/dbraw/zinc/44/24/31/411442431.db2.gz LZZYYVICTZNRAM-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CC[C@H](C)c1nnc([C@@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000277062594 411443667 /nfs/dbraw/zinc/44/36/67/411443667.db2.gz BXMJPBSQUNOUPF-DTWKUNHWSA-N 1 2 248.334 1.892 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC(C)(F)F ZINC000277530944 411445078 /nfs/dbraw/zinc/44/50/78/411445078.db2.gz QQGDGQXMJTVIGE-UHFFFAOYSA-N 1 2 217.219 1.082 20 0 BDADLO OCCn1cc(N[C@H]2CCCn3cc[nH+]c32)cn1 ZINC000655748460 411449363 /nfs/dbraw/zinc/44/93/63/411449363.db2.gz BOVQGCLSUNKOAX-NSHDSACASA-N 1 2 247.302 1.019 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000653625538 411450462 /nfs/dbraw/zinc/45/04/62/411450462.db2.gz IJFRTJHEODNGQJ-WDEREUQCSA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000653625538 411450466 /nfs/dbraw/zinc/45/04/66/411450466.db2.gz IJFRTJHEODNGQJ-WDEREUQCSA-N 1 2 249.362 1.803 20 0 BDADLO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccn(C)n1 ZINC000657491462 411532548 /nfs/dbraw/zinc/53/25/48/411532548.db2.gz GIHYBGFQVGWNOK-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccn(C)n1 ZINC000657491463 411532561 /nfs/dbraw/zinc/53/25/61/411532561.db2.gz GIHYBGFQVGWNOK-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2c(C)noc2C)n1 ZINC000657329326 411467249 /nfs/dbraw/zinc/46/72/49/411467249.db2.gz OHPCBQFNPZHZLF-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO C[C@@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1F ZINC000654986602 411471340 /nfs/dbraw/zinc/47/13/40/411471340.db2.gz MQTCGMLSGSNIIK-GHMZBOCLSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000655010495 411476218 /nfs/dbraw/zinc/47/62/18/411476218.db2.gz ACRHMULRRMSNRI-MDZLAQPJSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000655010495 411476220 /nfs/dbraw/zinc/47/62/20/411476220.db2.gz ACRHMULRRMSNRI-MDZLAQPJSA-N 1 2 247.342 1.989 20 0 BDADLO COc1cc(C[N@@H+]2CCCOCC2)sn1 ZINC000659858570 411479688 /nfs/dbraw/zinc/47/96/88/411479688.db2.gz BMMAOYFAUXNORW-UHFFFAOYSA-N 1 2 228.317 1.374 20 0 BDADLO COc1cc(C[N@H+]2CCCOCC2)sn1 ZINC000659858570 411479689 /nfs/dbraw/zinc/47/96/89/411479689.db2.gz BMMAOYFAUXNORW-UHFFFAOYSA-N 1 2 228.317 1.374 20 0 BDADLO COC[C@@H](C[N@H+](C)Cc1cscn1)OC ZINC000659858351 411479791 /nfs/dbraw/zinc/47/97/91/411479791.db2.gz RPVIZTVUITVZSG-SNVBAGLBSA-N 1 2 230.333 1.236 20 0 BDADLO COC[C@@H](C[N@@H+](C)Cc1cscn1)OC ZINC000659858351 411479793 /nfs/dbraw/zinc/47/97/93/411479793.db2.gz RPVIZTVUITVZSG-SNVBAGLBSA-N 1 2 230.333 1.236 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@](C)(CO)c2ccccc2)n1 ZINC000657364855 411481325 /nfs/dbraw/zinc/48/13/25/411481325.db2.gz AYPNUTMLBOPBNQ-AWEZNQCLSA-N 1 2 245.326 1.715 20 0 BDADLO Cc1ccc(C[NH+]2CC(NC(=O)C3CC3)C2)cc1 ZINC000297484917 411482627 /nfs/dbraw/zinc/48/26/27/411482627.db2.gz UMQHPFYOKAFGDG-UHFFFAOYSA-N 1 2 244.338 1.705 20 0 BDADLO CO[C@@H](C[N@H+](C)CC(F)F)[C@@H]1CCOC1 ZINC000659879825 411488639 /nfs/dbraw/zinc/48/86/39/411488639.db2.gz XOZJYBDBVJWJBI-BDAKNGLRSA-N 1 2 223.263 1.235 20 0 BDADLO CO[C@@H](C[N@@H+](C)CC(F)F)[C@@H]1CCOC1 ZINC000659879825 411488640 /nfs/dbraw/zinc/48/86/40/411488640.db2.gz XOZJYBDBVJWJBI-BDAKNGLRSA-N 1 2 223.263 1.235 20 0 BDADLO Fc1cccnc1CNCc1c[nH+]c2n1CCC2 ZINC000657414682 411498950 /nfs/dbraw/zinc/49/89/50/411498950.db2.gz TUVPIELLQUNMSF-UHFFFAOYSA-N 1 2 246.289 1.653 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1C1CC1 ZINC000655123396 411499431 /nfs/dbraw/zinc/49/94/31/411499431.db2.gz FFALIESXNCYMCL-BXKDBHETSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1C1CC1 ZINC000655123396 411499433 /nfs/dbraw/zinc/49/94/33/411499433.db2.gz FFALIESXNCYMCL-BXKDBHETSA-N 1 2 233.315 1.599 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccnn1CC ZINC000655128055 411500518 /nfs/dbraw/zinc/50/05/18/411500518.db2.gz KIVFFRLYJLQDCR-UHFFFAOYSA-N 1 2 247.302 1.049 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657443056 411511093 /nfs/dbraw/zinc/51/10/93/411511093.db2.gz XKZBJMODJHHLGN-JTQLQIEISA-N 1 2 246.314 1.973 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CC[C@@H](C)O)[nH]1 ZINC000659957129 411511755 /nfs/dbraw/zinc/51/17/55/411511755.db2.gz PMJRUOXDCATSEV-BDAKNGLRSA-N 1 2 226.324 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CC[C@@H](C)O)[nH]1 ZINC000659957129 411511757 /nfs/dbraw/zinc/51/17/57/411511757.db2.gz PMJRUOXDCATSEV-BDAKNGLRSA-N 1 2 226.324 1.131 20 0 BDADLO FC1(F)C[C@H]1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659970013 411513660 /nfs/dbraw/zinc/51/36/60/411513660.db2.gz LSSJJOFVIDIDLJ-KXUCPTDWSA-N 1 2 233.258 1.274 20 0 BDADLO FC1(F)C[C@H]1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659970013 411513661 /nfs/dbraw/zinc/51/36/61/411513661.db2.gz LSSJJOFVIDIDLJ-KXUCPTDWSA-N 1 2 233.258 1.274 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(C)n1 ZINC000659969531 411513763 /nfs/dbraw/zinc/51/37/63/411513763.db2.gz ILMDZJUMDOMMPY-BETUJISGSA-N 1 2 233.315 1.457 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(C)n1 ZINC000659969531 411513766 /nfs/dbraw/zinc/51/37/66/411513766.db2.gz ILMDZJUMDOMMPY-BETUJISGSA-N 1 2 233.315 1.457 20 0 BDADLO CCS[C@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336753125 411515459 /nfs/dbraw/zinc/51/54/59/411515459.db2.gz DSGHIMZRVUWZNS-SFYZADRCSA-N 1 2 242.348 1.274 20 0 BDADLO C([NH2+]C1CCCC1)c1nnc([C@H]2CCCO2)[nH]1 ZINC000655799268 411516926 /nfs/dbraw/zinc/51/69/26/411516926.db2.gz CCLXBFDTQDJEBK-SNVBAGLBSA-N 1 2 236.319 1.688 20 0 BDADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1nccs1 ZINC000659977375 411516909 /nfs/dbraw/zinc/51/69/09/411516909.db2.gz PBAYEYFUBDAQJZ-QMMMGPOBSA-N 1 2 248.298 1.999 20 0 BDADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1nccs1 ZINC000659977375 411516912 /nfs/dbraw/zinc/51/69/12/411516912.db2.gz PBAYEYFUBDAQJZ-QMMMGPOBSA-N 1 2 248.298 1.999 20 0 BDADLO CC(C)[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655797870 411517284 /nfs/dbraw/zinc/51/72/84/411517284.db2.gz RIBYPVISGSUKKE-ZJUUUORDSA-N 1 2 238.335 1.790 20 0 BDADLO Cc1c[nH]c(CNCc2noc3c2CCCC3)[nH+]1 ZINC000657468928 411521971 /nfs/dbraw/zinc/52/19/71/411521971.db2.gz POUIQYHOEJWYEV-UHFFFAOYSA-N 1 2 246.314 1.875 20 0 BDADLO FC1(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)CC1 ZINC000655818273 411525534 /nfs/dbraw/zinc/52/55/34/411525534.db2.gz LLAKKZRGPSBSTB-MRVPVSSYSA-N 1 2 240.282 1.248 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)nc(C)n1 ZINC000660013341 411528593 /nfs/dbraw/zinc/52/85/93/411528593.db2.gz WMZCVDGGQBRDLJ-MNOVXSKESA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)nc(C)n1 ZINC000660013341 411528594 /nfs/dbraw/zinc/52/85/94/411528594.db2.gz WMZCVDGGQBRDLJ-MNOVXSKESA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cnc(CC[NH2+]Cc2ccn[nH]2)c(C)c1 ZINC000655828930 411530848 /nfs/dbraw/zinc/53/08/48/411530848.db2.gz JADBHTSXXQZEKH-UHFFFAOYSA-N 1 2 230.315 1.754 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC=C(C)C ZINC000364626197 170001360 /nfs/dbraw/zinc/00/13/60/170001360.db2.gz DKHKWSXKRYUKRA-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC=C(C)C ZINC000364626197 170001362 /nfs/dbraw/zinc/00/13/62/170001362.db2.gz DKHKWSXKRYUKRA-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1cn[nH]c1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527693 411541797 /nfs/dbraw/zinc/54/17/97/411541797.db2.gz XNSDOTPITKEVQA-LLVKDONJSA-N 1 2 236.363 1.681 20 0 BDADLO Cc1cn[nH]c1CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527693 411541799 /nfs/dbraw/zinc/54/17/99/411541799.db2.gz XNSDOTPITKEVQA-LLVKDONJSA-N 1 2 236.363 1.681 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)nn1C ZINC000660141694 411544561 /nfs/dbraw/zinc/54/45/61/411544561.db2.gz HUWMRJSYTXXSRA-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CCNC(=O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000302034013 170067942 /nfs/dbraw/zinc/06/79/42/170067942.db2.gz DPDMAEWSSHKEKC-UHFFFAOYSA-N 1 2 248.330 1.212 20 0 BDADLO CCNC(=O)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000265326267 170089541 /nfs/dbraw/zinc/08/95/41/170089541.db2.gz FRNRCYFTAYJYQG-SECBINFHSA-N 1 2 248.330 1.599 20 0 BDADLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cn[nH]c2)nn1 ZINC000657496765 411536212 /nfs/dbraw/zinc/53/62/12/411536212.db2.gz XGGWTBLGNNTOGH-UHFFFAOYSA-N 1 2 248.334 1.607 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2C[C@H]2C2CCC2)n1 ZINC000657496874 411536526 /nfs/dbraw/zinc/53/65/26/411536526.db2.gz YSRZTECEAJYDHV-WDEREUQCSA-N 1 2 249.362 1.706 20 0 BDADLO CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000114166568 170099889 /nfs/dbraw/zinc/09/98/89/170099889.db2.gz ZBQYOCVJEYNGAJ-UHFFFAOYSA-N 1 2 229.283 1.930 20 0 BDADLO CC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000309062879 170108833 /nfs/dbraw/zinc/10/88/33/170108833.db2.gz XRSUBLCHJHODHQ-UHFFFAOYSA-N 1 2 217.219 1.996 20 0 BDADLO CC(C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660204190 411552966 /nfs/dbraw/zinc/55/29/66/411552966.db2.gz HLZYOWVOVXNLAJ-QMMMGPOBSA-N 1 2 210.281 1.189 20 0 BDADLO CC(C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660204188 411553162 /nfs/dbraw/zinc/55/31/62/411553162.db2.gz HLZYOWVOVXNLAJ-MRVPVSSYSA-N 1 2 210.281 1.189 20 0 BDADLO CC(C)CNC(=O)CCC[N@@H+]1CCC(F)(F)C1 ZINC000660213511 411554393 /nfs/dbraw/zinc/55/43/93/411554393.db2.gz HFFFUTDSAHKKPB-UHFFFAOYSA-N 1 2 248.317 1.880 20 0 BDADLO CC(C)CNC(=O)CCC[N@H+]1CCC(F)(F)C1 ZINC000660213511 411554395 /nfs/dbraw/zinc/55/43/95/411554395.db2.gz HFFFUTDSAHKKPB-UHFFFAOYSA-N 1 2 248.317 1.880 20 0 BDADLO CCc1nc(C)c(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000660141888 411544810 /nfs/dbraw/zinc/54/48/10/411544810.db2.gz KGVDTHLYJNGTOM-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC(C)(C)OC ZINC000309635782 170187124 /nfs/dbraw/zinc/18/71/24/170187124.db2.gz JKVPLNZEZKKMCW-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000109834468 170214629 /nfs/dbraw/zinc/21/46/29/170214629.db2.gz CAJQJJYWZCQZFA-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000109834468 170214630 /nfs/dbraw/zinc/21/46/30/170214630.db2.gz CAJQJJYWZCQZFA-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CCOC(=O)CN(Cc1c[nH+]cn1C)C(C)C ZINC000090233452 170217647 /nfs/dbraw/zinc/21/76/47/170217647.db2.gz UKUSFCRRFIFXTR-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000364791237 170221033 /nfs/dbraw/zinc/22/10/33/170221033.db2.gz WLLOEEUWSMTLJT-JTQLQIEISA-N 1 2 223.272 1.632 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000364791237 170221035 /nfs/dbraw/zinc/22/10/35/170221035.db2.gz WLLOEEUWSMTLJT-JTQLQIEISA-N 1 2 223.272 1.632 20 0 BDADLO CCOC(=O)C[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000375731199 170225610 /nfs/dbraw/zinc/22/56/10/170225610.db2.gz NFOXILCJRZKQPZ-CHWSQXEVSA-N 1 2 241.331 1.344 20 0 BDADLO CCOC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000309643938 170227494 /nfs/dbraw/zinc/22/74/94/170227494.db2.gz LOBYTFRUMWWNSB-NWDGAFQWSA-N 1 2 227.304 1.097 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@@H]1COC(C)(C)C1 ZINC000660237610 411556775 /nfs/dbraw/zinc/55/67/75/411556775.db2.gz CKYJRMGGIJOBFA-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@@H]1COC(C)(C)C1 ZINC000660237610 411556777 /nfs/dbraw/zinc/55/67/77/411556777.db2.gz CKYJRMGGIJOBFA-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO COc1cccc(OC)c1CNCc1[nH]cc[nH+]1 ZINC000657585577 411557387 /nfs/dbraw/zinc/55/73/87/411557387.db2.gz LAQZNZNXKMYVQH-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO COc1cccc(OC)c1C[NH2+]Cc1ncc[nH]1 ZINC000657585577 411557389 /nfs/dbraw/zinc/55/73/89/411557389.db2.gz LAQZNZNXKMYVQH-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000094919576 170246802 /nfs/dbraw/zinc/24/68/02/170246802.db2.gz FOAQZUPBBKZZFO-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000094919576 170246804 /nfs/dbraw/zinc/24/68/04/170246804.db2.gz FOAQZUPBBKZZFO-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000295860579 170248921 /nfs/dbraw/zinc/24/89/21/170248921.db2.gz YEOOXDJICRLXJA-IUCAKERBSA-N 1 2 225.292 1.087 20 0 BDADLO CCOC(=O)[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000276218690 170249302 /nfs/dbraw/zinc/24/93/02/170249302.db2.gz XTJDJSMCJFEGCU-DTWKUNHWSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000352926963 170257878 /nfs/dbraw/zinc/25/78/78/170257878.db2.gz SGSCGMGNQQAELX-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000352926963 170257881 /nfs/dbraw/zinc/25/78/81/170257881.db2.gz SGSCGMGNQQAELX-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000092456225 170258187 /nfs/dbraw/zinc/25/81/87/170258187.db2.gz WZIBMUGZRKOIRB-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000092456225 170258188 /nfs/dbraw/zinc/25/81/88/170258188.db2.gz WZIBMUGZRKOIRB-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CC[C@H](C)C2)[nH]1 ZINC000657607064 411561029 /nfs/dbraw/zinc/56/10/29/411561029.db2.gz AFLXGTHYHUVQIW-IUCAKERBSA-N 1 2 224.308 1.229 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)nc1 ZINC000360986168 170265355 /nfs/dbraw/zinc/26/53/55/170265355.db2.gz ZTXKFXMHHVNLQZ-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)nc1 ZINC000360986168 170265357 /nfs/dbraw/zinc/26/53/57/170265357.db2.gz ZTXKFXMHHVNLQZ-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC=C(COC)CC1 ZINC000185845592 170266159 /nfs/dbraw/zinc/26/61/59/170266159.db2.gz KWNMFUNMZDMJCZ-JTQLQIEISA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC=C(COC)CC1 ZINC000185845592 170266160 /nfs/dbraw/zinc/26/61/60/170266160.db2.gz KWNMFUNMZDMJCZ-JTQLQIEISA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1CCCO1 ZINC000037957729 170270513 /nfs/dbraw/zinc/27/05/13/170270513.db2.gz ADZWNNBZYJQMRO-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](CC)OC ZINC000357302805 170270718 /nfs/dbraw/zinc/27/07/18/170270718.db2.gz SPPZPRLZFCCWGL-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2C)[nH]1 ZINC000657607769 411561652 /nfs/dbraw/zinc/56/16/52/411561652.db2.gz KJGRNTCIHKSRDK-DTWKUNHWSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+]CC2(C)CCC2)[nH]1 ZINC000657608686 411561829 /nfs/dbraw/zinc/56/18/29/411561829.db2.gz AQRVDINAGPMNLP-UHFFFAOYSA-N 1 2 224.308 1.231 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2)on1 ZINC000660266543 411562085 /nfs/dbraw/zinc/56/20/85/411562085.db2.gz CUJIHAIVBGKGFU-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO CCOC(=O)[C@H](NCc1c[nH+]c[nH]1)[C@H](C)CC ZINC000187862074 170277422 /nfs/dbraw/zinc/27/74/22/170277422.db2.gz IAIXJRQIPFSHSI-MWLCHTKSSA-N 1 2 239.319 1.477 20 0 BDADLO CCOC(=O)[C@H](NCc1c[nH]c[nH+]1)[C@H](C)CC ZINC000187862074 170277423 /nfs/dbraw/zinc/27/74/23/170277423.db2.gz IAIXJRQIPFSHSI-MWLCHTKSSA-N 1 2 239.319 1.477 20 0 BDADLO CC(C)=CCCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000660332831 411571135 /nfs/dbraw/zinc/57/11/35/411571135.db2.gz WEDAPEKSFYGCGB-CYBMUJFWSA-N 1 2 226.364 1.341 20 0 BDADLO CC(C)=CCCN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000660332831 411571138 /nfs/dbraw/zinc/57/11/38/411571138.db2.gz WEDAPEKSFYGCGB-CYBMUJFWSA-N 1 2 226.364 1.341 20 0 BDADLO CCOC1C[NH+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000295906117 170336036 /nfs/dbraw/zinc/33/60/36/170336036.db2.gz GVRLXHXFMVQSHR-AWEZNQCLSA-N 1 2 235.327 1.749 20 0 BDADLO CCOC1CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000338826734 170336935 /nfs/dbraw/zinc/33/69/35/170336935.db2.gz ABRQVMZQBBEADX-UHFFFAOYSA-N 1 2 221.304 1.825 20 0 BDADLO CCOC1C[NH+](Cc2cccc3c2OCCO3)C1 ZINC000297486299 170337097 /nfs/dbraw/zinc/33/70/97/170337097.db2.gz SUBYFORDNFGGOV-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO CCOC1C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000297532759 170337358 /nfs/dbraw/zinc/33/73/58/170337358.db2.gz XXZXULJICXJQRM-UHFFFAOYSA-N 1 2 234.299 1.006 20 0 BDADLO CCOCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000264727545 170345158 /nfs/dbraw/zinc/34/51/58/170345158.db2.gz HMZNNLUTCKLJTQ-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO CCOCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000125343933 170345602 /nfs/dbraw/zinc/34/56/02/170345602.db2.gz JKCMXEJVRUWWJP-QMMMGPOBSA-N 1 2 211.265 1.014 20 0 BDADLO CCOCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341724483 170346110 /nfs/dbraw/zinc/34/61/10/170346110.db2.gz ZRAMESWFQSPHIT-LLVKDONJSA-N 1 2 237.303 1.024 20 0 BDADLO CCOCC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000291159939 170356083 /nfs/dbraw/zinc/35/60/83/170356083.db2.gz QOMKDNJQNAPXNZ-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO CCOCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000061680246 170363238 /nfs/dbraw/zinc/36/32/38/170363238.db2.gz RUDTWWQKQPFTAG-UHFFFAOYSA-N 1 2 209.249 1.029 20 0 BDADLO CCOCC[N@H+](C)Cc1ncc(C)s1 ZINC000181009670 170392024 /nfs/dbraw/zinc/39/20/24/170392024.db2.gz MTFPIXSGSMBTRZ-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncc(C)s1 ZINC000181009670 170392025 /nfs/dbraw/zinc/39/20/25/170392025.db2.gz MTFPIXSGSMBTRZ-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO OC1([C@@H]2CCCC[N@@H+]2Cc2csnn2)CC1 ZINC000660769259 411623777 /nfs/dbraw/zinc/62/37/77/411623777.db2.gz WUEYRJACOWQZLH-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO OC1([C@@H]2CCCC[N@H+]2Cc2csnn2)CC1 ZINC000660769259 411623780 /nfs/dbraw/zinc/62/37/80/411623780.db2.gz WUEYRJACOWQZLH-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)co1 ZINC000660779947 411628471 /nfs/dbraw/zinc/62/84/71/411628471.db2.gz KNVWZAUEMWMRNW-UWVGGRQHSA-N 1 2 210.302 1.673 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H]2CS3)co1 ZINC000660779947 411628473 /nfs/dbraw/zinc/62/84/73/411628473.db2.gz KNVWZAUEMWMRNW-UWVGGRQHSA-N 1 2 210.302 1.673 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000660814864 411644414 /nfs/dbraw/zinc/64/44/14/411644414.db2.gz YBFXMDBOAAFUNE-LLVKDONJSA-N 1 2 220.320 1.469 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000660814864 411644418 /nfs/dbraw/zinc/64/44/18/411644418.db2.gz YBFXMDBOAAFUNE-LLVKDONJSA-N 1 2 220.320 1.469 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc(OC)no2)CCO1 ZINC000660381825 411576772 /nfs/dbraw/zinc/57/67/72/411576772.db2.gz XVPVWFKPOHHBRW-GFCCVEGCSA-N 1 2 240.303 1.684 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc(OC)no2)CCO1 ZINC000660381825 411576773 /nfs/dbraw/zinc/57/67/73/411576773.db2.gz XVPVWFKPOHHBRW-GFCCVEGCSA-N 1 2 240.303 1.684 20 0 BDADLO O[C@H]1C[N@H+](CC2CC=CC2)CC(F)(F)C1 ZINC000660389860 411578616 /nfs/dbraw/zinc/57/86/16/411578616.db2.gz AJBWJVBXWXGNMW-SNVBAGLBSA-N 1 2 217.259 1.655 20 0 BDADLO O[C@H]1C[N@@H+](CC2CC=CC2)CC(F)(F)C1 ZINC000660389860 411578617 /nfs/dbraw/zinc/57/86/17/411578617.db2.gz AJBWJVBXWXGNMW-SNVBAGLBSA-N 1 2 217.259 1.655 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000660444838 411585546 /nfs/dbraw/zinc/58/55/46/411585546.db2.gz QUSLWDHWSWFBDQ-DTWKUNHWSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000660444838 411585547 /nfs/dbraw/zinc/58/55/47/411585547.db2.gz QUSLWDHWSWFBDQ-DTWKUNHWSA-N 1 2 238.335 1.131 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)cn2)C[C@@H](C2CC2)O1 ZINC000660447720 411586336 /nfs/dbraw/zinc/58/63/36/411586336.db2.gz ZCYNKNRJQOSHDO-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)cn2)C[C@@H](C2CC2)O1 ZINC000660447720 411586338 /nfs/dbraw/zinc/58/63/38/411586338.db2.gz ZCYNKNRJQOSHDO-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H](NC(=O)NCc1ccoc1)c1[nH+]ccn1C ZINC000660466923 411589897 /nfs/dbraw/zinc/58/98/97/411589897.db2.gz XLZCIAPQHGIYBK-SECBINFHSA-N 1 2 248.286 1.574 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@]2(C)CC2(C)C)n1 ZINC000657761770 411591500 /nfs/dbraw/zinc/59/15/00/411591500.db2.gz RZHZIOMCVSTHPL-LBPRGKRZSA-N 1 2 237.351 1.706 20 0 BDADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000657767450 411593358 /nfs/dbraw/zinc/59/33/58/411593358.db2.gz PFIPMDNQIPRRFQ-LBPRGKRZSA-N 1 2 223.320 1.705 20 0 BDADLO COc1nccc(C[NH2+][C@H](C)c2nccn2C)n1 ZINC000657793609 411599244 /nfs/dbraw/zinc/59/92/44/411599244.db2.gz MOCSENPVWIZLDN-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO Cc1cc(CN[C@@H](C)c2[nH+]ccn2C)nn1C ZINC000657794574 411599521 /nfs/dbraw/zinc/59/95/21/411599521.db2.gz XKJBJQMPVSUVPJ-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nccn2C)nn1C ZINC000657794574 411599524 /nfs/dbraw/zinc/59/95/24/411599524.db2.gz XKJBJQMPVSUVPJ-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC3CC=CC3)C2)[nH]1 ZINC000660555788 411599828 /nfs/dbraw/zinc/59/98/28/411599828.db2.gz BLGILRDMCVLHAJ-LLVKDONJSA-N 1 2 248.330 1.656 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CC=CC3)C2)[nH]1 ZINC000660555788 411599830 /nfs/dbraw/zinc/59/98/30/411599830.db2.gz BLGILRDMCVLHAJ-LLVKDONJSA-N 1 2 248.330 1.656 20 0 BDADLO Cn1cnc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000660561833 411600583 /nfs/dbraw/zinc/60/05/83/411600583.db2.gz BPXFRGIRZHWASD-CHWSQXEVSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1cnc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000660561833 411600585 /nfs/dbraw/zinc/60/05/85/411600585.db2.gz BPXFRGIRZHWASD-CHWSQXEVSA-N 1 2 249.358 1.810 20 0 BDADLO CCc1nnc([C@H](C)N2CCn3c[nH+]cc3C2)[nH]1 ZINC000660584218 411603697 /nfs/dbraw/zinc/60/36/97/411603697.db2.gz QUVARDHDSFQPRH-VIFPVBQESA-N 1 2 246.318 1.140 20 0 BDADLO CC(=O)c1cc(CN2CCn3c[nH+]cc3C2)on1 ZINC000660584223 411604267 /nfs/dbraw/zinc/60/42/67/411604267.db2.gz RACMPXJHTVIPOL-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO C[C@H](NC(=O)NC1CCC1)c1[nH+]ccn1C ZINC000660611889 411607192 /nfs/dbraw/zinc/60/71/92/411607192.db2.gz VOLRKUCXPZQPJM-QMMMGPOBSA-N 1 2 222.292 1.333 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)ns1 ZINC000660628964 411609903 /nfs/dbraw/zinc/60/99/03/411609903.db2.gz FHBDHBLWQBTPES-QMMMGPOBSA-N 1 2 228.317 1.372 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(OC)ns1 ZINC000660628964 411609905 /nfs/dbraw/zinc/60/99/05/411609905.db2.gz FHBDHBLWQBTPES-QMMMGPOBSA-N 1 2 228.317 1.372 20 0 BDADLO C[C@@H]1Cc2[nH+]cn(CCc3c[nH]nn3)c2C[C@H]1C ZINC000660671304 411616501 /nfs/dbraw/zinc/61/65/01/411616501.db2.gz GONXNSJRFCGHJT-NXEZZACHSA-N 1 2 245.330 1.615 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)[C@@H]1COC(C)(C)C1 ZINC000661092749 411704470 /nfs/dbraw/zinc/70/44/70/411704470.db2.gz KHDXZVBIRPTLLA-JTQLQIEISA-N 1 2 209.293 1.409 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)[C@@H]1COC(C)(C)C1 ZINC000661092749 411704474 /nfs/dbraw/zinc/70/44/74/411704474.db2.gz KHDXZVBIRPTLLA-JTQLQIEISA-N 1 2 209.293 1.409 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CC[C@@H](CO)C1 ZINC000663650546 411714522 /nfs/dbraw/zinc/71/45/22/411714522.db2.gz WLXKURYORHYPJO-SNVBAGLBSA-N 1 2 243.310 1.636 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000660843889 411653085 /nfs/dbraw/zinc/65/30/85/411653085.db2.gz IRSFBIHBRFFNIL-GHMZBOCLSA-N 1 2 245.282 1.763 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000660843889 411653089 /nfs/dbraw/zinc/65/30/89/411653089.db2.gz IRSFBIHBRFFNIL-GHMZBOCLSA-N 1 2 245.282 1.763 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844355 411656728 /nfs/dbraw/zinc/65/67/28/411656728.db2.gz IAFUANQGHWCCHY-MRVPVSSYSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844355 411656731 /nfs/dbraw/zinc/65/67/31/411656731.db2.gz IAFUANQGHWCCHY-MRVPVSSYSA-N 1 2 234.259 1.363 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660849120 411658175 /nfs/dbraw/zinc/65/81/75/411658175.db2.gz DVHBSFUTJTVPGU-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660849120 411658176 /nfs/dbraw/zinc/65/81/76/411658176.db2.gz DVHBSFUTJTVPGU-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO C[C@@H](NC(=O)NC1CC(C)C1)c1[nH+]ccn1C ZINC000660880570 411660615 /nfs/dbraw/zinc/66/06/15/411660615.db2.gz GWCIQQDSJBLANB-HWOCKDDLSA-N 1 2 236.319 1.579 20 0 BDADLO O=C1NCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000602602432 411676141 /nfs/dbraw/zinc/67/61/41/411676141.db2.gz OVLLIROXTRYWFW-SECBINFHSA-N 1 2 232.287 1.045 20 0 BDADLO Cc1ccnc(CNc2cc[nH+]c(C)n2)n1 ZINC000621329150 411718013 /nfs/dbraw/zinc/71/80/13/411718013.db2.gz RLSUBQKRCUFLLM-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000631427517 411690371 /nfs/dbraw/zinc/69/03/71/411690371.db2.gz ZYKZMFFIXAXFDY-CZMCAQCFSA-N 1 2 219.288 1.537 20 0 BDADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000528141859 411696043 /nfs/dbraw/zinc/69/60/43/411696043.db2.gz WDNALOXRSWMGPQ-QWRGUYRKSA-N 1 2 249.314 1.306 20 0 BDADLO CCCCNC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661086325 411696291 /nfs/dbraw/zinc/69/62/91/411696291.db2.gz YLUCSBLTTQCJSQ-JTQLQIEISA-N 1 2 238.335 1.146 20 0 BDADLO CCCCNC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661086326 411696372 /nfs/dbraw/zinc/69/63/72/411696372.db2.gz YLUCSBLTTQCJSQ-SNVBAGLBSA-N 1 2 238.335 1.146 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cnc[nH]2)O1 ZINC000661088443 411699649 /nfs/dbraw/zinc/69/96/49/411699649.db2.gz ICNIJBZAMXUBMX-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cnc[nH]2)O1 ZINC000661088443 411699652 /nfs/dbraw/zinc/69/96/52/411699652.db2.gz ICNIJBZAMXUBMX-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2c[nH]cn2)O1 ZINC000661088443 411699655 /nfs/dbraw/zinc/69/96/55/411699655.db2.gz ICNIJBZAMXUBMX-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2c[nH]cn2)O1 ZINC000661088443 411699657 /nfs/dbraw/zinc/69/96/57/411699657.db2.gz ICNIJBZAMXUBMX-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO CCCc1ccc(NCc2[nH+]ccn2C)nn1 ZINC000663538830 411700717 /nfs/dbraw/zinc/70/07/17/411700717.db2.gz IBKJFOVAIYAHJQ-UHFFFAOYSA-N 1 2 231.303 1.775 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](CO)C1CC1 ZINC000519776454 411734375 /nfs/dbraw/zinc/73/43/75/411734375.db2.gz OYWZGCNAJNIXRF-LLVKDONJSA-N 1 2 221.304 1.524 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000661341333 411752612 /nfs/dbraw/zinc/75/26/12/411752612.db2.gz MWSNHCLZDZAKKL-NWDGAFQWSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000661341333 411752615 /nfs/dbraw/zinc/75/26/15/411752615.db2.gz MWSNHCLZDZAKKL-NWDGAFQWSA-N 1 2 248.330 1.740 20 0 BDADLO O=c1[nH]nc(C[NH+]2CCC(C3CCC3)CC2)[nH]1 ZINC000661375380 411759113 /nfs/dbraw/zinc/75/91/13/411759113.db2.gz YRMCUPVDFKFQFC-UHFFFAOYSA-N 1 2 236.319 1.522 20 0 BDADLO CCc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n[nH]1 ZINC000616352739 411764600 /nfs/dbraw/zinc/76/46/00/411764600.db2.gz ABOMAPGVVZPIDJ-QMMMGPOBSA-N 1 2 247.302 1.513 20 0 BDADLO CCc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000616352739 411764603 /nfs/dbraw/zinc/76/46/03/411764603.db2.gz ABOMAPGVVZPIDJ-QMMMGPOBSA-N 1 2 247.302 1.513 20 0 BDADLO O[C@H]1CC[N@H+](CC2CCCC2)CC1(F)F ZINC000661397915 411767898 /nfs/dbraw/zinc/76/78/98/411767898.db2.gz GFLYSCMFBBGNMH-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1CC[N@@H+](CC2CCCC2)CC1(F)F ZINC000661397915 411767902 /nfs/dbraw/zinc/76/79/02/411767902.db2.gz GFLYSCMFBBGNMH-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc[nH]n1 ZINC000661461334 411780568 /nfs/dbraw/zinc/78/05/68/411780568.db2.gz CJKQOLQPZPGAIV-JTQLQIEISA-N 1 2 221.304 1.553 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc[nH]n1 ZINC000661461334 411780572 /nfs/dbraw/zinc/78/05/72/411780572.db2.gz CJKQOLQPZPGAIV-JTQLQIEISA-N 1 2 221.304 1.553 20 0 BDADLO C[C@H]1CCC[N@H+](CC(F)F)[C@@H]1CCO ZINC000661493533 411782168 /nfs/dbraw/zinc/78/21/68/411782168.db2.gz OKMOZCXHBNCMJJ-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CCC[N@@H+](CC(F)F)[C@@H]1CCO ZINC000661493533 411782171 /nfs/dbraw/zinc/78/21/71/411782171.db2.gz OKMOZCXHBNCMJJ-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@H]1C ZINC000663946373 411785983 /nfs/dbraw/zinc/78/59/83/411785983.db2.gz KHULNJDPUYMEDU-ZJUUUORDSA-N 1 2 229.287 1.507 20 0 BDADLO CCOc1nccnc1NCCn1cc[nH+]c1 ZINC000543701725 411720827 /nfs/dbraw/zinc/72/08/27/411720827.db2.gz XTCVSYXUFHSKGB-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)on1 ZINC000661166744 411725959 /nfs/dbraw/zinc/72/59/59/411725959.db2.gz KURYLMPAELFTSU-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)on1 ZINC000661166744 411725964 /nfs/dbraw/zinc/72/59/64/411725964.db2.gz KURYLMPAELFTSU-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@H]1C[C@H](Nc2cnccn2)c2[nH+]ccn21 ZINC000663975729 411798635 /nfs/dbraw/zinc/79/86/35/411798635.db2.gz UGXITOBKHCWYRS-IUCAKERBSA-N 1 2 215.260 1.791 20 0 BDADLO COc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)ccn1 ZINC000661544766 411800186 /nfs/dbraw/zinc/80/01/86/411800186.db2.gz IVOCKXUBVPDKRA-GHMZBOCLSA-N 1 2 248.326 1.747 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661554146 411800803 /nfs/dbraw/zinc/80/08/03/411800803.db2.gz QIOVQVCXEAFPSV-GMTAPVOTSA-N 1 2 240.347 1.058 20 0 BDADLO Cc1cc(OCc2ccc[nH+]c2N)nn1C ZINC000663983167 411801251 /nfs/dbraw/zinc/80/12/51/411801251.db2.gz BYVUOXXTUODQGC-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO CCCCNC(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661555154 411801585 /nfs/dbraw/zinc/80/15/85/411801585.db2.gz YPESLKDVMUQLJO-GHMZBOCLSA-N 1 2 240.347 1.060 20 0 BDADLO CCn1ccc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000618042845 411804689 /nfs/dbraw/zinc/80/46/89/411804689.db2.gz MKNUKYFBUPJXTO-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCn1ccc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000618042845 411804693 /nfs/dbraw/zinc/80/46/93/411804693.db2.gz MKNUKYFBUPJXTO-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCn1ccc(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000618043418 411807745 /nfs/dbraw/zinc/80/77/45/411807745.db2.gz GBAQXARGZCXZNC-UHFFFAOYSA-N 1 2 236.319 1.183 20 0 BDADLO CC[C@]1(C)CC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000663998408 411808350 /nfs/dbraw/zinc/80/83/50/411808350.db2.gz CBGIFNWYUORQLV-CYBMUJFWSA-N 1 2 249.314 1.138 20 0 BDADLO CC[C@@H](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661586988 411808897 /nfs/dbraw/zinc/80/88/97/411808897.db2.gz NOTZOIGLJMYEGD-SNVBAGLBSA-N 1 2 238.335 1.987 20 0 BDADLO CC[C@@H](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661586988 411808902 /nfs/dbraw/zinc/80/89/02/411808902.db2.gz NOTZOIGLJMYEGD-SNVBAGLBSA-N 1 2 238.335 1.987 20 0 BDADLO CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000636173589 411809457 /nfs/dbraw/zinc/80/94/57/411809457.db2.gz UMANXLBRNGKXHK-RKDXNWHRSA-N 1 2 245.286 1.368 20 0 BDADLO CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000636173589 411809459 /nfs/dbraw/zinc/80/94/59/411809459.db2.gz UMANXLBRNGKXHK-RKDXNWHRSA-N 1 2 245.286 1.368 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2COCCO2)oc1C ZINC000661603499 411814712 /nfs/dbraw/zinc/81/47/12/411814712.db2.gz HTMYMVWUSFEHCR-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2COCCO2)oc1C ZINC000661603499 411814714 /nfs/dbraw/zinc/81/47/14/411814714.db2.gz HTMYMVWUSFEHCR-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO Cc1[nH+]c2cc(OCC(=O)N(C)C)ccc2n1C ZINC000664046919 411826861 /nfs/dbraw/zinc/82/68/61/411826861.db2.gz SMVNTQFHXAODJN-UHFFFAOYSA-N 1 2 247.298 1.349 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc2c(n1)CCOC2 ZINC000664049635 411829741 /nfs/dbraw/zinc/82/97/41/411829741.db2.gz XWVWIQQMVARVKI-UHFFFAOYSA-N 1 2 229.283 1.708 20 0 BDADLO CCC1(CC)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000661671912 411832443 /nfs/dbraw/zinc/83/24/43/411832443.db2.gz HIFQIWSIFMCBTG-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO CCC1(CC)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000661671912 411832447 /nfs/dbraw/zinc/83/24/47/411832447.db2.gz HIFQIWSIFMCBTG-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO COc1cc(C)[nH+]c(COc2ccnnc2)c1 ZINC000664067937 411837180 /nfs/dbraw/zinc/83/71/80/411837180.db2.gz HGQBRVHQYNXFKF-UHFFFAOYSA-N 1 2 231.255 1.768 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000087236246 487620647 /nfs/dbraw/zinc/62/06/47/487620647.db2.gz QLRQBXVSNAZBPM-PKIKSRDPSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661721614 411857965 /nfs/dbraw/zinc/85/79/65/411857965.db2.gz RVFMPPDTMBNGSU-KHQFGBGNSA-N 1 2 225.317 1.056 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661721614 411857968 /nfs/dbraw/zinc/85/79/68/411857968.db2.gz RVFMPPDTMBNGSU-KHQFGBGNSA-N 1 2 225.317 1.056 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661721035 411858851 /nfs/dbraw/zinc/85/88/51/411858851.db2.gz GSHYPUHIMJUKRR-GZMMTYOYSA-N 1 2 239.344 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661721035 411858854 /nfs/dbraw/zinc/85/88/54/411858854.db2.gz GSHYPUHIMJUKRR-GZMMTYOYSA-N 1 2 239.344 1.057 20 0 BDADLO COCc1nc(C)cc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664126297 411863248 /nfs/dbraw/zinc/86/32/48/411863248.db2.gz GCSASUXXDGPYCB-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO COCc1nc(C)cc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664126297 411863250 /nfs/dbraw/zinc/86/32/50/411863250.db2.gz GCSASUXXDGPYCB-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO C[C@@H](Nc1cc[nH+]c2ccncc12)C1(CO)CC1 ZINC000664273771 411907098 /nfs/dbraw/zinc/90/70/98/411907098.db2.gz YDZXCLURKZCDIZ-SNVBAGLBSA-N 1 2 243.310 1.625 20 0 BDADLO Cc1nnc(CN(C)c2cc[nH+]c(C3CC3)n2)o1 ZINC000664296747 411914871 /nfs/dbraw/zinc/91/48/71/411914871.db2.gz LXCCUOZDSBUMAZ-UHFFFAOYSA-N 1 2 245.286 1.682 20 0 BDADLO Cc1cc(NCCO[C@H]2CC2(F)F)nc[nH+]1 ZINC000664310107 411919477 /nfs/dbraw/zinc/91/94/77/411919477.db2.gz ZIWDOEZRGVDVFC-QMMMGPOBSA-N 1 2 229.230 1.621 20 0 BDADLO O=C1CC[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]2N1 ZINC000664341529 411926519 /nfs/dbraw/zinc/92/65/19/411926519.db2.gz POUFAHHKVMZFHE-MNOVXSKESA-N 1 2 231.299 1.187 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000087236247 487620947 /nfs/dbraw/zinc/62/09/47/487620947.db2.gz QLRQBXVSNAZBPM-WYOJIJJFSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](C)[C@H]1O ZINC000664349386 411928337 /nfs/dbraw/zinc/92/83/37/411928337.db2.gz KPQHSQVTMJWBID-IWIIMEHWSA-N 1 2 247.342 1.807 20 0 BDADLO Cc1nc(N(C)CCOC(C)(C)C)nc(N)[nH+]1 ZINC000631170150 411940580 /nfs/dbraw/zinc/94/05/80/411940580.db2.gz MYGWNVVOGWYXHG-UHFFFAOYSA-N 1 2 239.323 1.014 20 0 BDADLO Cc1nc(N)nc(N(C)CCOC(C)(C)C)[nH+]1 ZINC000631170150 411940590 /nfs/dbraw/zinc/94/05/90/411940590.db2.gz MYGWNVVOGWYXHG-UHFFFAOYSA-N 1 2 239.323 1.014 20 0 BDADLO CCc1cc(N[C@@H](CO)C2CCC2)nc[nH+]1 ZINC000664171602 411877436 /nfs/dbraw/zinc/87/74/36/411877436.db2.gz SALCGQMYZJBDGH-NSHDSACASA-N 1 2 221.304 1.612 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000664465615 411965910 /nfs/dbraw/zinc/96/59/10/411965910.db2.gz PICVRMOWMZVTMU-UWVGGRQHSA-N 1 2 219.288 1.500 20 0 BDADLO O[C@H]1C[C@@H](Nc2cccc[nH+]2)C12CCC2 ZINC000664465028 411966651 /nfs/dbraw/zinc/96/66/51/411966651.db2.gz CZQZXOYAJNDERK-ZJUUUORDSA-N 1 2 204.273 1.797 20 0 BDADLO c1nc(N2CC[C@@H]3C[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000664521976 411975286 /nfs/dbraw/zinc/97/52/86/411975286.db2.gz DKZGDQOPYXLTRE-NXEZZACHSA-N 1 2 230.315 1.897 20 0 BDADLO c1nc(NC2CC2)cc(N2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000664521976 411975289 /nfs/dbraw/zinc/97/52/89/411975289.db2.gz DKZGDQOPYXLTRE-NXEZZACHSA-N 1 2 230.315 1.897 20 0 BDADLO c1nc(N2CC[C@H]3C[C@H]3C2)cc(NC2CC2)[nH+]1 ZINC000664521977 411975299 /nfs/dbraw/zinc/97/52/99/411975299.db2.gz DKZGDQOPYXLTRE-UWVGGRQHSA-N 1 2 230.315 1.897 20 0 BDADLO c1nc(NC2CC2)cc(N2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000664521977 411975303 /nfs/dbraw/zinc/97/53/03/411975303.db2.gz DKZGDQOPYXLTRE-UWVGGRQHSA-N 1 2 230.315 1.897 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2C[C@@H]2C1 ZINC000664523827 411975853 /nfs/dbraw/zinc/97/58/53/411975853.db2.gz JMDIPXVBDBCBKB-RKDXNWHRSA-N 1 2 229.287 1.210 20 0 BDADLO CC[C@@H](NC(=O)C1CC=CC1)c1[nH]cc[nH+]1 ZINC000125340333 170875263 /nfs/dbraw/zinc/87/52/63/170875263.db2.gz ATKZTJNVTOVENU-SNVBAGLBSA-N 1 2 219.288 1.943 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@]1(C)CC1(C)C ZINC000664550220 411982670 /nfs/dbraw/zinc/98/26/70/411982670.db2.gz NHFSCNBTLVJQOM-LBPRGKRZSA-N 1 2 231.303 1.964 20 0 BDADLO C[C@H](O)C1(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000664551902 411985177 /nfs/dbraw/zinc/98/51/77/411985177.db2.gz WBFYBNPZHGMQPG-QMMMGPOBSA-N 1 2 219.288 1.679 20 0 BDADLO Nc1cc(C[N@@H+]2CCc3nccnc3C2)ccn1 ZINC000662120962 411992368 /nfs/dbraw/zinc/99/23/68/411992368.db2.gz JXPMWAPRBZRRTJ-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Nc1cc(C[N@H+]2CCc3nccnc3C2)ccn1 ZINC000662120962 411992369 /nfs/dbraw/zinc/99/23/69/411992369.db2.gz JXPMWAPRBZRRTJ-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Cc1nc(N(C)C[C@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000664669801 412006551 /nfs/dbraw/zinc/00/65/51/412006551.db2.gz GYHOZCWREXCIKI-SNVBAGLBSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)C[C@H]2CC2(C)C)[nH+]1 ZINC000664669801 412006554 /nfs/dbraw/zinc/00/65/54/412006554.db2.gz GYHOZCWREXCIKI-SNVBAGLBSA-N 1 2 249.362 1.728 20 0 BDADLO CN(C[C@@H]1CC1(C)C)c1[nH+]cnc2c1cnn2C ZINC000664670691 412008309 /nfs/dbraw/zinc/00/83/09/412008309.db2.gz WLGLUCRXPXQJCL-VIFPVBQESA-N 1 2 245.330 1.846 20 0 BDADLO CC12CC(C1)CN2c1cc(-n2cc[nH+]c2)ncn1 ZINC000664693393 412010159 /nfs/dbraw/zinc/01/01/59/412010159.db2.gz LWMSEQIVHWNLPD-UHFFFAOYSA-N 1 2 241.298 1.651 20 0 BDADLO Cc1cc(N2CCO[C@@](C)(C(F)F)C2)nc[nH+]1 ZINC000664689520 412010196 /nfs/dbraw/zinc/01/01/96/412010196.db2.gz OHKZFNPCEDIFQD-LLVKDONJSA-N 1 2 243.257 1.645 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662031400 411947640 /nfs/dbraw/zinc/94/76/40/411947640.db2.gz RSBQDGJJJQYEEB-LSJOCFKGSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662031400 411947643 /nfs/dbraw/zinc/94/76/43/411947643.db2.gz RSBQDGJJJQYEEB-LSJOCFKGSA-N 1 2 236.319 1.142 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662043839 411959998 /nfs/dbraw/zinc/95/99/98/411959998.db2.gz MKMCOBISEUKEMT-NSHDSACASA-N 1 2 220.320 1.817 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662043839 411960003 /nfs/dbraw/zinc/96/00/03/411960003.db2.gz MKMCOBISEUKEMT-NSHDSACASA-N 1 2 220.320 1.817 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)[C@H]1c1cccnc1 ZINC000664825973 412027441 /nfs/dbraw/zinc/02/74/41/412027441.db2.gz NERZQOMNUCFZHM-NEPJUHHUSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)[C@H]1c1cccnc1 ZINC000664825973 412027445 /nfs/dbraw/zinc/02/74/45/412027445.db2.gz NERZQOMNUCFZHM-NEPJUHHUSA-N 1 2 245.326 1.353 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229872 412032856 /nfs/dbraw/zinc/03/28/56/412032856.db2.gz YSWKSGMQRPNUKW-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@H](C)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229872 412032860 /nfs/dbraw/zinc/03/28/60/412032860.db2.gz YSWKSGMQRPNUKW-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1cc(COC)on1 ZINC000297309101 171023595 /nfs/dbraw/zinc/02/35/95/171023595.db2.gz BTZLVGQADVHFGV-SNVBAGLBSA-N 1 2 210.277 1.805 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1cc(COC)on1 ZINC000297309101 171023598 /nfs/dbraw/zinc/02/35/98/171023598.db2.gz BTZLVGQADVHFGV-SNVBAGLBSA-N 1 2 210.277 1.805 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2csnn2)CCCO1 ZINC000336666550 171090805 /nfs/dbraw/zinc/09/08/05/171090805.db2.gz DMUQEVOUBOVXQG-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2csnn2)CCCO1 ZINC000336666550 171090808 /nfs/dbraw/zinc/09/08/08/171090808.db2.gz DMUQEVOUBOVXQG-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)[S@@]1=O ZINC000286041715 171090973 /nfs/dbraw/zinc/09/09/73/171090973.db2.gz QUAZDTZMVDIWOF-LYGAQUJYSA-N 1 2 241.360 1.141 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000672157217 487621624 /nfs/dbraw/zinc/62/16/24/487621624.db2.gz XONWYIWBCTXXRL-FTYKPCCVSA-N 1 2 245.326 1.360 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)CCO1 ZINC000338391240 171095520 /nfs/dbraw/zinc/09/55/20/171095520.db2.gz AKYYVLRRMHTBTJ-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)CCO1 ZINC000338391240 171095523 /nfs/dbraw/zinc/09/55/23/171095523.db2.gz AKYYVLRRMHTBTJ-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1O ZINC000270544695 171098282 /nfs/dbraw/zinc/09/82/82/171098282.db2.gz DCNVROYKTQARBI-ZWNOBZJWSA-N 1 2 245.326 1.780 20 0 BDADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673647 171117912 /nfs/dbraw/zinc/11/79/12/171117912.db2.gz FYYHKQSZQITFQQ-HTQZYQBOSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673647 171117915 /nfs/dbraw/zinc/11/79/15/171117915.db2.gz FYYHKQSZQITFQQ-HTQZYQBOSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277559224 171152046 /nfs/dbraw/zinc/15/20/46/171152046.db2.gz VMHNDSOLCHBCOG-UWVGGRQHSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000340863868 171205108 /nfs/dbraw/zinc/20/51/08/171205108.db2.gz CKWFTOVEFJRZLI-ZDUSSCGKSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000340863868 171205110 /nfs/dbraw/zinc/20/51/10/171205110.db2.gz CKWFTOVEFJRZLI-ZDUSSCGKSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298167750 171246710 /nfs/dbraw/zinc/24/67/10/171246710.db2.gz PVNHZLQSPDSMTB-VIFPVBQESA-N 1 2 209.293 1.425 20 0 BDADLO CC[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000336432288 171249015 /nfs/dbraw/zinc/24/90/15/171249015.db2.gz WYDJGNKLMVSNFC-AAEUAGOBSA-N 1 2 247.342 1.601 20 0 BDADLO CC[C@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000190312912 171259695 /nfs/dbraw/zinc/25/96/95/171259695.db2.gz UUUITKHTAKUHKP-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO CC[C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000279367825 171270084 /nfs/dbraw/zinc/27/00/84/171270084.db2.gz GRRLGENWOUASIO-VIFPVBQESA-N 1 2 223.320 1.765 20 0 BDADLO CC[C@H](C)C[NH2+][C@H](CC(F)F)C(=O)OC ZINC000336744137 171286741 /nfs/dbraw/zinc/28/67/41/171286741.db2.gz YYWCEFFFLXKEKJ-JGVFFNPUSA-N 1 2 223.263 1.819 20 0 BDADLO CC[C@H](C)CONC(=O)NCCn1cc[nH+]c1 ZINC000291722285 171288656 /nfs/dbraw/zinc/28/86/56/171288656.db2.gz QUUHLLFCTUGRPI-JTQLQIEISA-N 1 2 240.307 1.160 20 0 BDADLO CC[C@H](C)CSCC(=O)N1CC[NH+](C)CC1 ZINC000340695595 171292160 /nfs/dbraw/zinc/29/21/60/171292160.db2.gz MQJUXGOFLBSWPQ-NSHDSACASA-N 1 2 244.404 1.540 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370428054 171303981 /nfs/dbraw/zinc/30/39/81/171303981.db2.gz LKEAKTTUTVPWBY-WDEREUQCSA-N 1 2 235.331 1.702 20 0 BDADLO CC[C@H](C)N(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000288597566 171315844 /nfs/dbraw/zinc/31/58/44/171315844.db2.gz SVZAWTWBXLETOO-JTQLQIEISA-N 1 2 235.331 1.951 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1noc(C2CC2)n1 ZINC000310313304 171315972 /nfs/dbraw/zinc/31/59/72/171315972.db2.gz UNFHVQCSRKFGGS-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1noc(C2CC2)n1 ZINC000310313304 171315973 /nfs/dbraw/zinc/31/59/73/171315973.db2.gz UNFHVQCSRKFGGS-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356036543 171324631 /nfs/dbraw/zinc/32/46/31/171324631.db2.gz OQBSCSNTCZQBBI-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356036543 171324633 /nfs/dbraw/zinc/32/46/33/171324633.db2.gz OQBSCSNTCZQBBI-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)OCC(=O)N(C)Cc1[nH+]ccn1C ZINC000337544306 171351188 /nfs/dbraw/zinc/35/11/88/171351188.db2.gz LIKVWXXPDFVIBO-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@H](C)[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302906700 171367598 /nfs/dbraw/zinc/36/75/98/171367598.db2.gz XBRIQWSBBQUMQY-JGVFFNPUSA-N 1 2 248.334 1.792 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000355074735 171374676 /nfs/dbraw/zinc/37/46/76/171374676.db2.gz IXFUMLSXJYZLDD-CMPLNLGQSA-N 1 2 241.331 1.510 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000182532577 171384325 /nfs/dbraw/zinc/38/43/25/171384325.db2.gz RYMGQDDWJKAUSW-QWRGUYRKSA-N 1 2 223.320 1.682 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CC2(C)C)no1 ZINC000662346904 412117921 /nfs/dbraw/zinc/11/79/21/412117921.db2.gz FMGPVCDPLUTQNX-SECBINFHSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CC2(C)C)no1 ZINC000662346904 412117926 /nfs/dbraw/zinc/11/79/26/412117926.db2.gz FMGPVCDPLUTQNX-SECBINFHSA-N 1 2 209.293 1.856 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@](C)(C(F)F)O1 ZINC000662361055 412124472 /nfs/dbraw/zinc/12/44/72/412124472.db2.gz JRHWNOVTAOUQFD-GZMMTYOYSA-N 1 2 246.257 1.919 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@](C)(C(F)F)O1 ZINC000662361055 412124476 /nfs/dbraw/zinc/12/44/76/412124476.db2.gz JRHWNOVTAOUQFD-GZMMTYOYSA-N 1 2 246.257 1.919 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CC2(CC2)C1 ZINC000335382900 487622679 /nfs/dbraw/zinc/62/26/79/487622679.db2.gz KBWMQIRVSVENSB-UHFFFAOYSA-N 1 2 211.696 1.669 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(CCC1(O)CCC1)C2 ZINC000662672965 412267214 /nfs/dbraw/zinc/26/72/14/412267214.db2.gz BTOWOVXTQMRCTH-UHFFFAOYSA-N 1 2 249.358 1.621 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+](CCC1(O)CCC1)C2 ZINC000662672965 412267217 /nfs/dbraw/zinc/26/72/17/412267217.db2.gz BTOWOVXTQMRCTH-UHFFFAOYSA-N 1 2 249.358 1.621 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+](CCC1(O)CCC1)C2 ZINC000662672965 412267218 /nfs/dbraw/zinc/26/72/18/412267218.db2.gz BTOWOVXTQMRCTH-UHFFFAOYSA-N 1 2 249.358 1.621 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](C3CCC3)C2)[nH]1 ZINC000665288873 412234951 /nfs/dbraw/zinc/23/49/51/412234951.db2.gz ZYVUYHSSEWBRSO-SECBINFHSA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](C3CCC3)C2)[nH]1 ZINC000665288873 412234955 /nfs/dbraw/zinc/23/49/55/412234955.db2.gz ZYVUYHSSEWBRSO-SECBINFHSA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](C3CCC3)C2)[nH]1 ZINC000665288874 412236447 /nfs/dbraw/zinc/23/64/47/412236447.db2.gz ZYVUYHSSEWBRSO-VIFPVBQESA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@H](C3CCC3)C2)[nH]1 ZINC000665288874 412236451 /nfs/dbraw/zinc/23/64/51/412236451.db2.gz ZYVUYHSSEWBRSO-VIFPVBQESA-N 1 2 222.292 1.132 20 0 BDADLO CC1CC(CNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000621354432 412334828 /nfs/dbraw/zinc/33/48/28/412334828.db2.gz JWVADHUUBGVXOS-UHFFFAOYSA-N 1 2 246.318 1.404 20 0 BDADLO C[C@H](CCNc1cc[nH+]c(C(=O)[O-])c1)[NH+](C)C ZINC000662883586 412334933 /nfs/dbraw/zinc/33/49/33/412334933.db2.gz MPZMMHCOFCCQHM-SECBINFHSA-N 1 2 237.303 1.532 20 0 BDADLO CCCCc1cc(NCCn2cnnc2)nc[nH+]1 ZINC000631287868 412347002 /nfs/dbraw/zinc/34/70/02/412347002.db2.gz OEKOXPZIDALSDW-UHFFFAOYSA-N 1 2 246.318 1.523 20 0 BDADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000662943479 412350622 /nfs/dbraw/zinc/35/06/22/412350622.db2.gz QVNDYKKPGSDDDJ-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO CCO[C@H]1CCC[N@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000662943479 412350624 /nfs/dbraw/zinc/35/06/24/412350624.db2.gz QVNDYKKPGSDDDJ-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC2CC1(C)C2 ZINC000663241528 412399014 /nfs/dbraw/zinc/39/90/14/412399014.db2.gz IPSMWSUUUFWZBO-ZBOXLXRLSA-N 1 2 248.330 1.466 20 0 BDADLO CCc1nc(N2CCCNC(=O)[C@@H]2C)cc(C)[nH+]1 ZINC000376471444 171958307 /nfs/dbraw/zinc/95/83/07/171958307.db2.gz DKQZOMNFKYFYGY-JTQLQIEISA-N 1 2 248.330 1.062 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)[nH]1 ZINC000285308577 172001921 /nfs/dbraw/zinc/00/19/21/172001921.db2.gz SLJJKINXCBOMEY-HTQZYQBOSA-N 1 2 234.307 1.502 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@@H+]2CCOC)no1 ZINC000375773929 172004067 /nfs/dbraw/zinc/00/40/67/172004067.db2.gz OGCUECLYXVPGAL-JTQLQIEISA-N 1 2 239.319 1.805 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@H+]2CCOC)no1 ZINC000375773929 172004068 /nfs/dbraw/zinc/00/40/68/172004068.db2.gz OGCUECLYXVPGAL-JTQLQIEISA-N 1 2 239.319 1.805 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cnccc2C)[nH]1 ZINC000280457113 172005410 /nfs/dbraw/zinc/00/54/10/172005410.db2.gz ZMBZGWMOZPVNFR-JTQLQIEISA-N 1 2 245.330 1.921 20 0 BDADLO CCc1nc([C@H](C)[NH2+]CC(=O)NC)cs1 ZINC000293029039 172006118 /nfs/dbraw/zinc/00/61/18/172006118.db2.gz CXYZWEFBHMOAGI-ZETCQYMHSA-N 1 2 227.333 1.102 20 0 BDADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCNC2=O)cs1 ZINC000179067427 172007414 /nfs/dbraw/zinc/00/74/14/172007414.db2.gz KQMAXBXXKPEDJZ-JGVFFNPUSA-N 1 2 239.344 1.245 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000271026449 172017183 /nfs/dbraw/zinc/01/71/83/172017183.db2.gz DWYCQTUPMAOUPN-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](C)C2)s1 ZINC000271026449 172017184 /nfs/dbraw/zinc/01/71/84/172017184.db2.gz DWYCQTUPMAOUPN-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1[nH]ncc1C ZINC000352801080 172041753 /nfs/dbraw/zinc/04/17/53/172041753.db2.gz RNDBGTHSURMQHL-UHFFFAOYSA-N 1 2 233.319 1.304 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1n[nH]cc1C ZINC000352801080 172041757 /nfs/dbraw/zinc/04/17/57/172041757.db2.gz RNDBGTHSURMQHL-UHFFFAOYSA-N 1 2 233.319 1.304 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CCn2cccn2)o1 ZINC000111282232 172064310 /nfs/dbraw/zinc/06/43/10/172064310.db2.gz QSZYWUSNADWNMV-SNVBAGLBSA-N 1 2 249.318 1.522 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CCn2cccn2)o1 ZINC000111282232 172064313 /nfs/dbraw/zinc/06/43/13/172064313.db2.gz QSZYWUSNADWNMV-SNVBAGLBSA-N 1 2 249.318 1.522 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CCCO)n1 ZINC000331310277 172088504 /nfs/dbraw/zinc/08/85/04/172088504.db2.gz UQYDWEVINNERTL-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CCCO)n1 ZINC000331310277 172088505 /nfs/dbraw/zinc/08/85/05/172088505.db2.gz UQYDWEVINNERTL-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](CC)CCO)n1 ZINC000118835321 172088923 /nfs/dbraw/zinc/08/89/23/172088923.db2.gz ULCVQZCYBRLTRY-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](CC)CCO)n1 ZINC000118835321 172088925 /nfs/dbraw/zinc/08/89/25/172088925.db2.gz ULCVQZCYBRLTRY-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368787433 172090956 /nfs/dbraw/zinc/09/09/56/172090956.db2.gz VWFPCJFFHMFIIP-DTWKUNHWSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368787433 172090958 /nfs/dbraw/zinc/09/09/58/172090958.db2.gz VWFPCJFFHMFIIP-DTWKUNHWSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1nocc1C[N@@H+]1CCN(C)CC[C@@H]1C ZINC000336488382 172097725 /nfs/dbraw/zinc/09/77/25/172097725.db2.gz DFILCMJLLUQTSG-NSHDSACASA-N 1 2 237.347 1.763 20 0 BDADLO CCc1nocc1C[N@H+]1CCN(C)CC[C@@H]1C ZINC000336488382 172097727 /nfs/dbraw/zinc/09/77/27/172097727.db2.gz DFILCMJLLUQTSG-NSHDSACASA-N 1 2 237.347 1.763 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000352960689 172098684 /nfs/dbraw/zinc/09/86/84/172098684.db2.gz YFNVAOSEBZQSCE-CYBMUJFWSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000352960689 172098686 /nfs/dbraw/zinc/09/86/86/172098686.db2.gz YFNVAOSEBZQSCE-CYBMUJFWSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cc(C)no1 ZINC000339241722 172101735 /nfs/dbraw/zinc/10/17/35/172101735.db2.gz XQNBGAXGMQRVHM-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO CCc1oc(C(=O)OC)cc1Cn1cc[nH+]c1 ZINC000176997571 172111363 /nfs/dbraw/zinc/11/13/63/172111363.db2.gz WDSDHJFQYUUJNJ-UHFFFAOYSA-N 1 2 234.255 1.873 20 0 BDADLO CCc1occc1C(=O)NCCn1cc[nH+]c1 ZINC000280418851 172117018 /nfs/dbraw/zinc/11/70/18/172117018.db2.gz QMFFQEDIQZWKKT-UHFFFAOYSA-N 1 2 233.271 1.469 20 0 BDADLO CCn1c(C)cc(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000359140081 172136465 /nfs/dbraw/zinc/13/64/65/172136465.db2.gz WZSAWMALBXWOCG-UHFFFAOYSA-N 1 2 246.314 1.778 20 0 BDADLO CCn1c(C)cc(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000359140081 172136466 /nfs/dbraw/zinc/13/64/66/172136466.db2.gz WZSAWMALBXWOCG-UHFFFAOYSA-N 1 2 246.314 1.778 20 0 BDADLO CCn1cc(C[NH2+]Cc2ncc(C)n2C)cn1 ZINC000341006795 172172201 /nfs/dbraw/zinc/17/22/01/172172201.db2.gz IPHPBRXMGONOPX-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO CCn1cc(CNCc2[nH+]cc(C)n2C)cn1 ZINC000341006795 172172203 /nfs/dbraw/zinc/17/22/03/172172203.db2.gz IPHPBRXMGONOPX-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO CCn1cc(C[NH2+][C@@H](COC)c2ccco2)cn1 ZINC000080239997 172173538 /nfs/dbraw/zinc/17/35/38/172173538.db2.gz DFDJKRORYNZZMQ-LBPRGKRZSA-N 1 2 249.314 1.973 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cc(C)n(C)n2)cn1 ZINC000282021454 172174766 /nfs/dbraw/zinc/17/47/66/172174766.db2.gz DYVSMDDGLVKPOG-LLVKDONJSA-N 1 2 247.346 1.796 20 0 BDADLO CCn1cc(NCc2c[nH+]cn2C)cn1 ZINC000085168102 172185384 /nfs/dbraw/zinc/18/53/84/172185384.db2.gz NSWIKBYQRROBHR-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO CCn1cc(OCc2c[nH+]ccc2OC)cn1 ZINC000310336473 172191120 /nfs/dbraw/zinc/19/11/20/172191120.db2.gz BKPNHDJYFJWTGB-UHFFFAOYSA-N 1 2 233.271 1.886 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2nc(C)no2)cn1 ZINC000044499849 172197793 /nfs/dbraw/zinc/19/77/93/172197793.db2.gz WBAZQKBQMXMMMU-QMMMGPOBSA-N 1 2 235.291 1.445 20 0 BDADLO CCn1cccc1C[N@H+](C)CC(=O)N(C)C ZINC000267346969 172202573 /nfs/dbraw/zinc/20/25/73/172202573.db2.gz AKRLXJWUZCQGAI-UHFFFAOYSA-N 1 2 223.320 1.028 20 0 BDADLO CCn1cccc1C[N@@H+](C)CC(=O)N(C)C ZINC000267346969 172202576 /nfs/dbraw/zinc/20/25/76/172202576.db2.gz AKRLXJWUZCQGAI-UHFFFAOYSA-N 1 2 223.320 1.028 20 0 BDADLO CCn1cc[nH+]c1CN(C)CC(F)(F)F ZINC000112346728 172217627 /nfs/dbraw/zinc/21/76/27/172217627.db2.gz GSAPECGPSFZACH-UHFFFAOYSA-N 1 2 221.226 1.897 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C ZINC000298407137 172221899 /nfs/dbraw/zinc/22/18/99/172221899.db2.gz KKMGLIVHUBZHHQ-JTQLQIEISA-N 1 2 236.319 1.597 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccnc(C)c1 ZINC000295513028 172222344 /nfs/dbraw/zinc/22/23/44/172222344.db2.gz ADXBGITUABQWGP-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC1CCC1 ZINC000295845008 172222498 /nfs/dbraw/zinc/22/24/98/172222498.db2.gz VWSDZTKZUTYJIH-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@H]1C=CCC1 ZINC000295555916 172222955 /nfs/dbraw/zinc/22/29/55/172222955.db2.gz FDGPVMDGLWFRHC-NSHDSACASA-N 1 2 233.315 1.876 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cccc(C)n1 ZINC000295781705 172223102 /nfs/dbraw/zinc/22/31/02/172223102.db2.gz QGHMJROXIUBCKA-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000336695388 172223800 /nfs/dbraw/zinc/22/38/00/172223800.db2.gz IQOFBORCCDKGPB-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](C)c1cn(C)nc1C ZINC000265626115 172225126 /nfs/dbraw/zinc/22/51/26/172225126.db2.gz BWUZKVMOQADPND-SNVBAGLBSA-N 1 2 247.346 1.796 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1ccncc1F ZINC000340465292 172237391 /nfs/dbraw/zinc/23/73/91/172237391.db2.gz HRHXEGCUVGGEBB-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CCn1nc(C)c(C[NH2+]CC(F)F)c1C ZINC000298050740 172244906 /nfs/dbraw/zinc/24/49/06/172244906.db2.gz IRNYGEOGXVLHPC-UHFFFAOYSA-N 1 2 217.263 1.875 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cccc(O)c2)n1 ZINC000295192975 172247510 /nfs/dbraw/zinc/24/75/10/172247510.db2.gz ODEIGSPWCAFNCZ-UHFFFAOYSA-N 1 2 246.314 1.602 20 0 BDADLO CCn1ncc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000293581689 172253778 /nfs/dbraw/zinc/25/37/78/172253778.db2.gz DYZQWXWEIMNROP-UHFFFAOYSA-N 1 2 231.259 1.254 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1ccccn1 ZINC000273420829 172263883 /nfs/dbraw/zinc/26/38/83/172263883.db2.gz QOISBDHIMZRFSR-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1ccccn1 ZINC000273420829 172263886 /nfs/dbraw/zinc/26/38/86/172263886.db2.gz QOISBDHIMZRFSR-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nccc1CNc1ccc(N(C)C)c[nH+]1 ZINC000119640150 172274784 /nfs/dbraw/zinc/27/47/84/172274784.db2.gz AONHHAYSUWRDJV-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCCc2occc2C1 ZINC000288852378 172278428 /nfs/dbraw/zinc/27/84/28/172278428.db2.gz PHALWZSADZGFAC-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CCn1ncnc1C[N@H+]1CCCc2occc2C1 ZINC000288852378 172278430 /nfs/dbraw/zinc/27/84/30/172278430.db2.gz PHALWZSADZGFAC-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccncc1F ZINC000338365051 172281743 /nfs/dbraw/zinc/28/17/43/172281743.db2.gz FHRAKNBYJGZUTD-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO CCn1ncnc1CNc1cccc[nH+]1 ZINC000309050817 172283171 /nfs/dbraw/zinc/28/31/71/172283171.db2.gz RBXYBELNLCZIFQ-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CCC1 ZINC000336508841 172333740 /nfs/dbraw/zinc/33/37/40/172333740.db2.gz CLLRDCCTOLWJDM-JTQLQIEISA-N 1 2 233.315 1.841 20 0 BDADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000119016770 172334387 /nfs/dbraw/zinc/33/43/87/172334387.db2.gz FJTHEGGPELFCIK-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO CN(C)C(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181336943 172363960 /nfs/dbraw/zinc/36/39/60/172363960.db2.gz ZCLFBVGPCAOKKX-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN(C)C(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181336943 172363962 /nfs/dbraw/zinc/36/39/62/172363962.db2.gz ZCLFBVGPCAOKKX-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN(C)c1ccc(CNC(=O)C(C)(F)F)c[nH+]1 ZINC000288620865 172553048 /nfs/dbraw/zinc/55/30/48/172553048.db2.gz RQDFBSWTMCRUTD-UHFFFAOYSA-N 1 2 243.257 1.419 20 0 BDADLO CN1CCC[N@H+](CCC(F)(F)F)CC1=O ZINC000375565975 173015338 /nfs/dbraw/zinc/01/53/38/173015338.db2.gz ODAUNEUGZZKJAJ-UHFFFAOYSA-N 1 2 224.226 1.103 20 0 BDADLO CN1CCC[N@@H+](CCC(F)(F)F)CC1=O ZINC000375565975 173015340 /nfs/dbraw/zinc/01/53/40/173015340.db2.gz ODAUNEUGZZKJAJ-UHFFFAOYSA-N 1 2 224.226 1.103 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000128892011 173029493 /nfs/dbraw/zinc/02/94/93/173029493.db2.gz BGFYSXLPWWKABC-SECBINFHSA-N 1 2 249.318 1.105 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000128892011 173029496 /nfs/dbraw/zinc/02/94/96/173029496.db2.gz BGFYSXLPWWKABC-SECBINFHSA-N 1 2 249.318 1.105 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000128892011 173029498 /nfs/dbraw/zinc/02/94/98/173029498.db2.gz BGFYSXLPWWKABC-SECBINFHSA-N 1 2 249.318 1.105 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000128892011 173029501 /nfs/dbraw/zinc/02/95/01/173029501.db2.gz BGFYSXLPWWKABC-SECBINFHSA-N 1 2 249.318 1.105 20 0 BDADLO CN1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC000376986590 173062315 /nfs/dbraw/zinc/06/23/15/173062315.db2.gz CVJAFLUZUCGCBE-CQSZACIVSA-N 1 2 245.326 1.530 20 0 BDADLO CN1CC[N@H+](Cc2ccc3occc3c2)CC1=O ZINC000290121988 173086322 /nfs/dbraw/zinc/08/63/22/173086322.db2.gz UGMVLNDSRXAJAO-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO CN1CC[N@@H+](Cc2ccc3occc3c2)CC1=O ZINC000290121988 173086325 /nfs/dbraw/zinc/08/63/25/173086325.db2.gz UGMVLNDSRXAJAO-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO CNC(=O)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000275173821 173226836 /nfs/dbraw/zinc/22/68/36/173226836.db2.gz BUJXELAZEJVFRG-UHFFFAOYSA-N 1 2 240.253 1.143 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000276344162 173269097 /nfs/dbraw/zinc/26/90/97/173269097.db2.gz IVHVJXFCKYCCGJ-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000276344162 173269098 /nfs/dbraw/zinc/26/90/98/173269098.db2.gz IVHVJXFCKYCCGJ-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106936706 173270926 /nfs/dbraw/zinc/27/09/26/173270926.db2.gz NUJAWCNZRFWSNX-MRVPVSSYSA-N 1 2 241.360 1.499 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106936706 173270928 /nfs/dbraw/zinc/27/09/28/173270928.db2.gz NUJAWCNZRFWSNX-MRVPVSSYSA-N 1 2 241.360 1.499 20 0 BDADLO CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177561732 173285423 /nfs/dbraw/zinc/28/54/23/173285423.db2.gz YTLYZAOOZCFAEA-ZJUUUORDSA-N 1 2 222.292 1.105 20 0 BDADLO C[NH2+]Cc1noc(CCOc2cccc(C)c2)n1 ZINC000051848476 173399344 /nfs/dbraw/zinc/39/93/44/173399344.db2.gz SMJNGASAKGUYGF-UHFFFAOYSA-N 1 2 247.298 1.719 20 0 BDADLO COC(C)(C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000279529716 173933376 /nfs/dbraw/zinc/93/33/76/173933376.db2.gz PCJXQZAGHLGLPH-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO COC1(CNc2[nH+]cnc3c2cnn3C)CCC1 ZINC000182219720 174005684 /nfs/dbraw/zinc/00/56/84/174005684.db2.gz XDLDGNUEDDNCFK-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO COC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000358632172 174030306 /nfs/dbraw/zinc/03/03/06/174030306.db2.gz QFMYNBFMPSPLHI-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COCC(C)(C)CNc1cc(C)[nH+]cn1 ZINC000336713690 174070459 /nfs/dbraw/zinc/07/04/59/174070459.db2.gz VSKDNBJMAWMBRH-UHFFFAOYSA-N 1 2 209.293 1.291 20 0 BDADLO COCC(C)(C)C(=O)NCCCn1cc[nH+]c1 ZINC000157586812 174065851 /nfs/dbraw/zinc/06/58/51/174065851.db2.gz COHACDYLSMIPGQ-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO COCC1(O)C[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000297605317 174112788 /nfs/dbraw/zinc/11/27/88/174112788.db2.gz URMHVNFGPRABJN-MDWZMJQESA-N 1 2 247.338 1.783 20 0 BDADLO COCC1(O)C[NH+](Cc2csc(C)c2)C1 ZINC000297562745 174113901 /nfs/dbraw/zinc/11/39/01/174113901.db2.gz QRTFBOTXOMXZRW-UHFFFAOYSA-N 1 2 227.329 1.250 20 0 BDADLO COCC1(O)C[NH+](Cc2cccc(C)c2F)C1 ZINC000297499715 174113908 /nfs/dbraw/zinc/11/39/08/174113908.db2.gz LHPWBGHTDNVVPO-UHFFFAOYSA-N 1 2 239.290 1.327 20 0 BDADLO COCC1=CC[N@H+](Cc2[nH]ncc2C)CC1 ZINC000290875092 174117234 /nfs/dbraw/zinc/11/72/34/174117234.db2.gz LOBZLLYKCKSNJA-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO COCC1=CC[N@@H+](Cc2[nH]ncc2C)CC1 ZINC000290875092 174117235 /nfs/dbraw/zinc/11/72/35/174117235.db2.gz LOBZLLYKCKSNJA-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO COCCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000372283843 174226215 /nfs/dbraw/zinc/22/62/15/174226215.db2.gz VEXQWGXBJWRTRV-UHFFFAOYSA-N 1 2 239.290 1.365 20 0 BDADLO COCCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000377493762 174231488 /nfs/dbraw/zinc/23/14/88/174231488.db2.gz KQYGIEKJPMJWCN-VIFPVBQESA-N 1 2 211.265 1.243 20 0 BDADLO COCCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000377493762 174231489 /nfs/dbraw/zinc/23/14/89/174231489.db2.gz KQYGIEKJPMJWCN-VIFPVBQESA-N 1 2 211.265 1.243 20 0 BDADLO COCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000265450950 174252260 /nfs/dbraw/zinc/25/22/60/174252260.db2.gz TYBWOVNJFVKUSA-UHFFFAOYSA-N 1 2 236.319 1.747 20 0 BDADLO COCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000265450950 174252262 /nfs/dbraw/zinc/25/22/62/174252262.db2.gz TYBWOVNJFVKUSA-UHFFFAOYSA-N 1 2 236.319 1.747 20 0 BDADLO COCCCOC1C[NH+](Cc2ccccn2)C1 ZINC000358763324 174253016 /nfs/dbraw/zinc/25/30/16/174253016.db2.gz BOTFXYMSFSYKOS-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO COCCN(C)Cc1cc(OC)cc(C)[nH+]1 ZINC000339843082 174280867 /nfs/dbraw/zinc/28/08/67/174280867.db2.gz SFWTUBGUGVMOAQ-UHFFFAOYSA-N 1 2 224.304 1.477 20 0 BDADLO COCC[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000077408581 174282600 /nfs/dbraw/zinc/28/26/00/174282600.db2.gz JLYRYHRYJMZDGK-VIFPVBQESA-N 1 2 227.308 1.832 20 0 BDADLO COCC[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000077408581 174282602 /nfs/dbraw/zinc/28/26/02/174282602.db2.gz JLYRYHRYJMZDGK-VIFPVBQESA-N 1 2 227.308 1.832 20 0 BDADLO COCC[N@H+](Cc1ncc(C)o1)C1CC1 ZINC000336642614 174300749 /nfs/dbraw/zinc/30/07/49/174300749.db2.gz AJSYNEWMJGNHRJ-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COCC[N@@H+](Cc1ncc(C)o1)C1CC1 ZINC000336642614 174300751 /nfs/dbraw/zinc/30/07/51/174300751.db2.gz AJSYNEWMJGNHRJ-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COCC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000353541184 174304474 /nfs/dbraw/zinc/30/44/74/174304474.db2.gz HHYGQEDLZVDKEP-SNVBAGLBSA-N 1 2 225.292 1.551 20 0 BDADLO COCC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000353541184 174304476 /nfs/dbraw/zinc/30/44/76/174304476.db2.gz HHYGQEDLZVDKEP-SNVBAGLBSA-N 1 2 225.292 1.551 20 0 BDADLO COCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000369258988 174306732 /nfs/dbraw/zinc/30/67/32/174306732.db2.gz MWJMDYIPQKBXDD-JTQLQIEISA-N 1 2 225.292 1.551 20 0 BDADLO COCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000369258988 174306733 /nfs/dbraw/zinc/30/67/33/174306733.db2.gz MWJMDYIPQKBXDD-JTQLQIEISA-N 1 2 225.292 1.551 20 0 BDADLO COCCNc1nc(N)c2ccccc2[nH+]1 ZINC000041146482 174341957 /nfs/dbraw/zinc/34/19/57/174341957.db2.gz PHPKYMPCXCFORH-UHFFFAOYSA-N 1 2 218.260 1.270 20 0 BDADLO COCCOC[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000336775568 174362856 /nfs/dbraw/zinc/36/28/56/174362856.db2.gz ZIWOCELZLASXEZ-JTQLQIEISA-N 1 2 225.292 1.248 20 0 BDADLO COCCSCCCOCc1[nH]cc[nH+]1 ZINC000278782056 174375700 /nfs/dbraw/zinc/37/57/00/174375700.db2.gz VEKLOBPWPJPWKD-UHFFFAOYSA-N 1 2 230.333 1.696 20 0 BDADLO COC[C@@H]([NH2+]C1CC(C(C)C)C1)C(=O)OC ZINC000336767178 174481332 /nfs/dbraw/zinc/48/13/32/174481332.db2.gz PLULYOWIUIBMSZ-VQXHTEKXSA-N 1 2 229.320 1.199 20 0 BDADLO COc1cc(NCCCn2cc[nH+]c2)ncn1 ZINC000082482221 175002757 /nfs/dbraw/zinc/00/27/57/175002757.db2.gz DVJPRDIOORLRRV-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1C ZINC000271175403 175099915 /nfs/dbraw/zinc/09/99/15/175099915.db2.gz FFWWIEUPNQCXHS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1C ZINC000271175403 175099916 /nfs/dbraw/zinc/09/99/16/175099916.db2.gz FFWWIEUPNQCXHS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000267187058 175101780 /nfs/dbraw/zinc/10/17/80/175101780.db2.gz GPUQTTLMAMYGMH-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000267187058 175101781 /nfs/dbraw/zinc/10/17/81/175101781.db2.gz GPUQTTLMAMYGMH-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(NCc2c[nH+]cn2C)c(C)n1 ZINC000119806039 175152488 /nfs/dbraw/zinc/15/24/88/175152488.db2.gz WKZDVFRRPQNSTL-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO COc1ccc(NCc2[nH]cc[nH+]2)c(C)n1 ZINC000119784488 175153558 /nfs/dbraw/zinc/15/35/58/175153558.db2.gz LVKHGXSJKWLEOR-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO COc1ccc(OCC[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368334531 175172655 /nfs/dbraw/zinc/17/26/55/175172655.db2.gz HSHIDKZZODQYMC-KGLIPLIRSA-N 1 2 249.310 1.547 20 0 BDADLO COc1ccc(OCC[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368334531 175172656 /nfs/dbraw/zinc/17/26/56/175172656.db2.gz HSHIDKZZODQYMC-KGLIPLIRSA-N 1 2 249.310 1.547 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090970176 175189834 /nfs/dbraw/zinc/18/98/34/175189834.db2.gz IKSBRZPTAYIZOL-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccc2[nH+]c(C)nc(NCCO)c2c1 ZINC000301948461 175227247 /nfs/dbraw/zinc/22/72/47/175227247.db2.gz HXZBIIOIIVERPX-UHFFFAOYSA-N 1 2 233.271 1.351 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000294983329 175256938 /nfs/dbraw/zinc/25/69/38/175256938.db2.gz JZPJKNBOTXNAAE-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000294983329 175256940 /nfs/dbraw/zinc/25/69/40/175256940.db2.gz JZPJKNBOTXNAAE-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000037680424 175265615 /nfs/dbraw/zinc/26/56/15/175265615.db2.gz BUHWMVKXGBGJFC-UHFFFAOYSA-N 1 2 217.272 1.708 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nnnn1C ZINC000341070641 175346337 /nfs/dbraw/zinc/34/63/37/175346337.db2.gz QCDCRKOUDOXBDW-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000264398730 175358798 /nfs/dbraw/zinc/35/87/98/175358798.db2.gz GMILCZZGTIJFPN-UONOGXRCSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000264398730 175358801 /nfs/dbraw/zinc/35/88/01/175358801.db2.gz GMILCZZGTIJFPN-UONOGXRCSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000264398730 175358803 /nfs/dbraw/zinc/35/88/03/175358803.db2.gz GMILCZZGTIJFPN-UONOGXRCSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CSC ZINC000293422720 175370007 /nfs/dbraw/zinc/37/00/07/175370007.db2.gz RRCMZRNOOPGOSU-UHFFFAOYSA-N 1 2 226.301 1.069 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1(C(C)=O)CC1 ZINC000294364607 175370018 /nfs/dbraw/zinc/37/00/18/175370018.db2.gz BZQJZDBPGNRSBJ-UHFFFAOYSA-N 1 2 248.282 1.076 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)C1CC1 ZINC000292383829 175370557 /nfs/dbraw/zinc/37/05/57/175370557.db2.gz UTGLNXHPBVAHLS-VIFPVBQESA-N 1 2 249.314 1.688 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N(C)CC1CC1 ZINC000294177452 175370780 /nfs/dbraw/zinc/37/07/80/175370780.db2.gz JIVWGEZZHBWCPM-UHFFFAOYSA-N 1 2 249.314 1.642 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000334156338 175374437 /nfs/dbraw/zinc/37/44/37/175374437.db2.gz YCKMIMKDKCYNKG-RCOVLWMOSA-N 1 2 242.225 1.930 20 0 BDADLO COc1ccncc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000279178138 175375117 /nfs/dbraw/zinc/37/51/17/175375117.db2.gz HWSMPLNODLPMQP-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H]1C(F)F ZINC000337941515 175375246 /nfs/dbraw/zinc/37/52/46/175375246.db2.gz QZWQJTFOUGRAJQ-RQJHMYQMSA-N 1 2 242.225 1.930 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000330989112 175375471 /nfs/dbraw/zinc/37/54/71/175375471.db2.gz GWTDCBYMTJKKFM-IUCAKERBSA-N 1 2 236.271 1.454 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCCO ZINC000331274071 176038036 /nfs/dbraw/zinc/03/80/36/176038036.db2.gz BJYUKSFDWGEBCQ-VIFPVBQESA-N 1 2 241.335 1.742 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCCO ZINC000331274071 176038038 /nfs/dbraw/zinc/03/80/38/176038038.db2.gz BJYUKSFDWGEBCQ-VIFPVBQESA-N 1 2 241.335 1.742 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCCc2occc2C1 ZINC000288963235 176040946 /nfs/dbraw/zinc/04/09/46/176040946.db2.gz YIDQEVLEEOLYAK-JTQLQIEISA-N 1 2 246.314 1.918 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCCc2occc2C1 ZINC000288963235 176040948 /nfs/dbraw/zinc/04/09/48/176040948.db2.gz YIDQEVLEEOLYAK-JTQLQIEISA-N 1 2 246.314 1.918 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000284350407 176060256 /nfs/dbraw/zinc/06/02/56/176060256.db2.gz SAHVQDOCDJFPKN-CHWSQXEVSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000174036383 176105018 /nfs/dbraw/zinc/10/50/18/176105018.db2.gz CTYNJJCPCINUAK-LLVKDONJSA-N 1 2 236.319 1.467 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000299633895 176121503 /nfs/dbraw/zinc/12/15/03/176121503.db2.gz KUWRIUDPODOYMK-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1C ZINC000284385805 176154214 /nfs/dbraw/zinc/15/42/14/176154214.db2.gz MJGZLFLAIHQTGU-HIHHVFROSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000372727850 176161145 /nfs/dbraw/zinc/16/11/45/176161145.db2.gz QLJXVZWMNOTXMW-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccco2)CC[S@]1=O ZINC000277752665 176175674 /nfs/dbraw/zinc/17/56/74/176175674.db2.gz VAMFTAUTEQOROC-MEBBXXQBSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccco2)CC[S@]1=O ZINC000277752665 176175675 /nfs/dbraw/zinc/17/56/75/176175675.db2.gz VAMFTAUTEQOROC-MEBBXXQBSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)[C@@H]1CO ZINC000276089267 176181819 /nfs/dbraw/zinc/18/18/19/176181819.db2.gz VUKZLHNMOFSEFM-QMTHXVAHSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)[C@@H]1CO ZINC000227168663 176182657 /nfs/dbraw/zinc/18/26/57/176182657.db2.gz XLBLXPXAFNCNNT-ZWNOBZJWSA-N 1 2 245.326 1.780 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000336536571 176194889 /nfs/dbraw/zinc/19/48/89/176194889.db2.gz BEFVLYNKDSNTEL-NXEZZACHSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@@H](CO)O1 ZINC000336784381 176280586 /nfs/dbraw/zinc/28/05/86/176280586.db2.gz PZTSPVNLXCVCPK-DBVFPWQWSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@@H](CO)O1 ZINC000336784381 176280588 /nfs/dbraw/zinc/28/05/88/176280588.db2.gz PZTSPVNLXCVCPK-DBVFPWQWSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC(F)(F)F)CCO1 ZINC000336642714 176293165 /nfs/dbraw/zinc/29/31/65/176293165.db2.gz ASIILFNXWUYTGF-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC(F)(F)F)CCO1 ZINC000336642714 176293167 /nfs/dbraw/zinc/29/31/67/176293167.db2.gz ASIILFNXWUYTGF-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccccc2)CC[S@@]1=O ZINC000336571994 176294333 /nfs/dbraw/zinc/29/43/33/176294333.db2.gz UUHDNEOMCRSRKF-WBMJQRKESA-N 1 2 237.368 1.682 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccccc2)CC[S@@]1=O ZINC000336571994 176294334 /nfs/dbraw/zinc/29/43/34/176294334.db2.gz UUHDNEOMCRSRKF-WBMJQRKESA-N 1 2 237.368 1.682 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(C(N)=O)cs2)CCO1 ZINC000179868674 176301835 /nfs/dbraw/zinc/30/18/35/176301835.db2.gz LBPWTCZMXFAXOF-MRVPVSSYSA-N 1 2 240.328 1.068 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(C(N)=O)cs2)CCO1 ZINC000179868674 176301836 /nfs/dbraw/zinc/30/18/36/176301836.db2.gz LBPWTCZMXFAXOF-MRVPVSSYSA-N 1 2 240.328 1.068 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)[C@H](C)CO1 ZINC000050813637 176304112 /nfs/dbraw/zinc/30/41/12/176304112.db2.gz NSJHSLSYOFAPKA-NXEZZACHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)[C@H](C)CO1 ZINC000050813637 176304114 /nfs/dbraw/zinc/30/41/14/176304114.db2.gz NSJHSLSYOFAPKA-NXEZZACHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccc(N)nc2)C[C@@H](C)O1 ZINC000050792371 176305176 /nfs/dbraw/zinc/30/51/76/176305176.db2.gz MWOYWTFGXQZBJT-NXEZZACHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccs2)CC(=O)N1 ZINC000294732073 176307107 /nfs/dbraw/zinc/30/71/07/176307107.db2.gz DIPCTNSCGNRIHN-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccs2)CC(=O)N1 ZINC000294732073 176307108 /nfs/dbraw/zinc/30/71/08/176307108.db2.gz DIPCTNSCGNRIHN-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccn2C)CC[S@](=O)C1 ZINC000277373589 176307474 /nfs/dbraw/zinc/30/74/74/176307474.db2.gz FWVRKITZXQDBHU-BZNIZROVSA-N 1 2 240.372 1.226 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccn2C)CC[S@](=O)C1 ZINC000277373589 176307475 /nfs/dbraw/zinc/30/74/75/176307475.db2.gz FWVRKITZXQDBHU-BZNIZROVSA-N 1 2 240.372 1.226 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)CCS1 ZINC000271148710 176309207 /nfs/dbraw/zinc/30/92/07/176309207.db2.gz JGXHCPQTLWLFDG-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CCS1 ZINC000271148710 176309209 /nfs/dbraw/zinc/30/92/09/176309209.db2.gz JGXHCPQTLWLFDG-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC(C)(C)O1 ZINC000271139783 176309439 /nfs/dbraw/zinc/30/94/39/176309439.db2.gz OTZAIPJCODTPLG-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC(C)(C)O1 ZINC000271139783 176309441 /nfs/dbraw/zinc/30/94/41/176309441.db2.gz OTZAIPJCODTPLG-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1CO ZINC000336544162 176312680 /nfs/dbraw/zinc/31/26/80/176312680.db2.gz WPUHYRFCJVVUHY-SFYZADRCSA-N 1 2 246.763 1.857 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1CO ZINC000336544162 176312682 /nfs/dbraw/zinc/31/26/82/176312682.db2.gz WPUHYRFCJVVUHY-SFYZADRCSA-N 1 2 246.763 1.857 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349776 176314971 /nfs/dbraw/zinc/31/49/71/176314971.db2.gz HHPJUWWIYGIKJZ-ZYHUDNBSSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349776 176314973 /nfs/dbraw/zinc/31/49/73/176314973.db2.gz HHPJUWWIYGIKJZ-ZYHUDNBSSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)CCO1 ZINC000269166656 176320752 /nfs/dbraw/zinc/32/07/52/176320752.db2.gz QGOFATGHEMFODY-SNVBAGLBSA-N 1 2 231.299 1.798 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000351500869 176321161 /nfs/dbraw/zinc/32/11/61/176321161.db2.gz GQHWIFRHRXZTIA-KCJUWKMLSA-N 1 2 217.272 1.380 20 0 BDADLO C[C@@H]1COCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000374359567 176331407 /nfs/dbraw/zinc/33/14/07/176331407.db2.gz MFQSRGCQUYEKTF-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H]1COCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000374359567 176331408 /nfs/dbraw/zinc/33/14/08/176331408.db2.gz MFQSRGCQUYEKTF-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H]1CSCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287628356 176349783 /nfs/dbraw/zinc/34/97/83/176349783.db2.gz NDFOXIPHWWFEKP-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1CC(=O)c1cccn1C ZINC000069761244 176350977 /nfs/dbraw/zinc/35/09/77/176350977.db2.gz HCIYOIRCSMTWJX-SNVBAGLBSA-N 1 2 238.356 1.645 20 0 BDADLO C[C@@H]1CSCC[N@H+]1CC(=O)c1cccn1C ZINC000069761244 176350978 /nfs/dbraw/zinc/35/09/78/176350978.db2.gz HCIYOIRCSMTWJX-SNVBAGLBSA-N 1 2 238.356 1.645 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000355114062 176388882 /nfs/dbraw/zinc/38/88/82/176388882.db2.gz CQBIXAJFLHRXAY-GRYCIOLGSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000298418981 176393026 /nfs/dbraw/zinc/39/30/26/176393026.db2.gz QOXSANCITZTWDY-GHMZBOCLSA-N 1 2 243.310 1.649 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285151534 176398084 /nfs/dbraw/zinc/39/80/84/176398084.db2.gz MGJDLRICUYMRML-JLLWLGSASA-N 1 2 243.314 1.535 20 0 BDADLO C[C@H](Nc1cccc(-n2cc[nH+]c2)n1)C1CC1 ZINC000370746995 176784339 /nfs/dbraw/zinc/78/43/39/176784339.db2.gz KWHLKIOXWPNUSG-JTQLQIEISA-N 1 2 228.299 1.900 20 0 BDADLO C[C@H](O)c1ncc(C[NH+]2CCSCC2)s1 ZINC000289028068 177019279 /nfs/dbraw/zinc/01/92/79/177019279.db2.gz GUMVTTRENHVGOD-QMMMGPOBSA-N 1 2 244.385 1.745 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)Cc1cc[nH]n1 ZINC000177163946 177042322 /nfs/dbraw/zinc/04/23/22/177042322.db2.gz XMDDYVDRFZACMM-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc[nH]n1 ZINC000177163946 177042324 /nfs/dbraw/zinc/04/23/24/177042324.db2.gz XMDDYVDRFZACMM-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558490 177046681 /nfs/dbraw/zinc/04/66/81/177046681.db2.gz PPGJGASVMVYNKH-PWSUYJOCSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370558490 177046682 /nfs/dbraw/zinc/04/66/82/177046682.db2.gz PPGJGASVMVYNKH-PWSUYJOCSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1ccsc1)[NH+]1CCN(C(N)=O)CC1 ZINC000184868045 177051579 /nfs/dbraw/zinc/05/15/79/177051579.db2.gz CEBDROCXCPWVCC-SECBINFHSA-N 1 2 239.344 1.505 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](O)C1 ZINC000337979828 177053052 /nfs/dbraw/zinc/05/30/52/177053052.db2.gz PYWIPPLJMZUPHL-RKDXNWHRSA-N 1 2 239.319 1.495 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](O)C1 ZINC000337979828 177053053 /nfs/dbraw/zinc/05/30/53/177053053.db2.gz PYWIPPLJMZUPHL-RKDXNWHRSA-N 1 2 239.319 1.495 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000267831437 177067110 /nfs/dbraw/zinc/06/71/10/177067110.db2.gz DFAAHMJKTGYOTD-HZAKCSEPSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@H]1CCC(=CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000267831437 177067111 /nfs/dbraw/zinc/06/71/11/177067111.db2.gz DFAAHMJKTGYOTD-HZAKCSEPSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280520527 177124258 /nfs/dbraw/zinc/12/42/58/177124258.db2.gz MOXWSNOOTTYJOE-ONGXEEELSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280520527 177124259 /nfs/dbraw/zinc/12/42/59/177124259.db2.gz MOXWSNOOTTYJOE-ONGXEEELSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccc(S(C)(=O)=O)o2)C1 ZINC000336281737 177163374 /nfs/dbraw/zinc/16/33/74/177163374.db2.gz NJIAXRHQYCJGRP-VIFPVBQESA-N 1 2 243.328 1.525 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccc(S(C)(=O)=O)o2)C1 ZINC000336281737 177163375 /nfs/dbraw/zinc/16/33/75/177163375.db2.gz NJIAXRHQYCJGRP-VIFPVBQESA-N 1 2 243.328 1.525 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000287907985 177182151 /nfs/dbraw/zinc/18/21/51/177182151.db2.gz FVCMHTOCGOYWRU-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2CCC(F)(F)C2)O1 ZINC000336624994 177189164 /nfs/dbraw/zinc/18/91/64/177189164.db2.gz PEKROQPZQOKKER-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+]2CCC(F)(F)C2)O1 ZINC000336624994 177189167 /nfs/dbraw/zinc/18/91/67/177189167.db2.gz PEKROQPZQOKKER-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000294384507 177215904 /nfs/dbraw/zinc/21/59/04/177215904.db2.gz XZOVVCCYQWQJQA-VHSXEESVSA-N 1 2 221.304 1.220 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000309797467 177258286 /nfs/dbraw/zinc/25/82/86/177258286.db2.gz VQTOUKRAGMINCX-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000309797467 177258289 /nfs/dbraw/zinc/25/82/89/177258289.db2.gz VQTOUKRAGMINCX-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(C(N)=O)cs2)CCO1 ZINC000179868690 177260294 /nfs/dbraw/zinc/26/02/94/177260294.db2.gz LBPWTCZMXFAXOF-QMMMGPOBSA-N 1 2 240.328 1.068 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(C(N)=O)cs2)CCO1 ZINC000179868690 177260296 /nfs/dbraw/zinc/26/02/96/177260296.db2.gz LBPWTCZMXFAXOF-QMMMGPOBSA-N 1 2 240.328 1.068 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H](C)O1 ZINC000276263791 177263811 /nfs/dbraw/zinc/26/38/11/177263811.db2.gz RGJVUWJJXLYMLF-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H](C)O1 ZINC000276263791 177263813 /nfs/dbraw/zinc/26/38/13/177263813.db2.gz RGJVUWJJXLYMLF-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccnc2)[C@@H](C)CO1 ZINC000298263765 177266307 /nfs/dbraw/zinc/26/63/07/177266307.db2.gz BZFJFUHCOPXORE-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccnc2)[C@@H](C)CO1 ZINC000298263765 177266308 /nfs/dbraw/zinc/26/63/08/177266308.db2.gz BZFJFUHCOPXORE-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[N@H+](Cc2cocn2)C[C@]2(CCOC2)O1 ZINC000280131248 177271052 /nfs/dbraw/zinc/27/10/52/177271052.db2.gz CKFDUIOQWJUBMJ-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cocn2)C[C@]2(CCOC2)O1 ZINC000280131248 177271054 /nfs/dbraw/zinc/27/10/54/177271054.db2.gz CKFDUIOQWJUBMJ-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnnn2C)[C@@H]1c1ccccc1 ZINC000365782066 177272281 /nfs/dbraw/zinc/27/22/81/177272281.db2.gz ANEPADYBRKYXQX-GWCFXTLKSA-N 1 2 243.314 1.403 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnnn2C)[C@@H]1c1ccccc1 ZINC000365782066 177272282 /nfs/dbraw/zinc/27/22/82/177272282.db2.gz ANEPADYBRKYXQX-GWCFXTLKSA-N 1 2 243.314 1.403 20 0 BDADLO C[C@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1CO ZINC000362071245 177272335 /nfs/dbraw/zinc/27/23/35/177272335.db2.gz IGITULMSSUKZHB-WPRPVWTQSA-N 1 2 237.303 1.007 20 0 BDADLO C[C@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1CO ZINC000362071245 177272337 /nfs/dbraw/zinc/27/23/37/177272337.db2.gz IGITULMSSUKZHB-WPRPVWTQSA-N 1 2 237.303 1.007 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2CCOC2=O)[C@@H]1c1ccccc1 ZINC000174982569 177275416 /nfs/dbraw/zinc/27/54/16/177275416.db2.gz APKBYULRWRWELT-UHTWSYAYSA-N 1 2 231.295 1.995 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2CCOC2=O)[C@@H]1c1ccccc1 ZINC000174982569 177275418 /nfs/dbraw/zinc/27/54/18/177275418.db2.gz APKBYULRWRWELT-UHTWSYAYSA-N 1 2 231.295 1.995 20 0 BDADLO C[C@H]1CN(c2[nH+]c3cccc(F)c3n2C)C[C@H]1O ZINC000336967903 177277856 /nfs/dbraw/zinc/27/78/56/177277856.db2.gz IMNPQWWMOXXXLP-GZMMTYOYSA-N 1 2 249.289 1.529 20 0 BDADLO C[C@H]1C[C@@H](COCc2[nH]cc[nH+]2)CCO1 ZINC000341378078 177326107 /nfs/dbraw/zinc/32/61/07/177326107.db2.gz ZKPHHXQAFGBMPA-UWVGGRQHSA-N 1 2 210.277 1.741 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ncc(Cl)n1C ZINC000292306718 177335815 /nfs/dbraw/zinc/33/58/15/177335815.db2.gz DNNGHWUDNJZVFJ-IUCAKERBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ncc(Cl)n1C ZINC000292306718 177335816 /nfs/dbraw/zinc/33/58/16/177335816.db2.gz DNNGHWUDNJZVFJ-IUCAKERBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](CNC(=O)C[C@H]1C[C@@H]1C)Cn1cc[nH+]c1 ZINC000362818964 177342521 /nfs/dbraw/zinc/34/25/21/177342521.db2.gz WNZYIZQVQNFJRZ-GRYCIOLGSA-N 1 2 235.331 1.682 20 0 BDADLO C[C@H]1C[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000336354570 177343255 /nfs/dbraw/zinc/34/32/55/177343255.db2.gz TXCJSUYYJXTRMP-DTWKUNHWSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@H]1C[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000336354570 177343257 /nfs/dbraw/zinc/34/32/57/177343257.db2.gz TXCJSUYYJXTRMP-DTWKUNHWSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@H]1C[C@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000370747336 177382568 /nfs/dbraw/zinc/38/25/68/177382568.db2.gz NBRQUJOFVLOCJK-VHSXEESVSA-N 1 2 214.272 1.510 20 0 BDADLO C[C@H]1[N@H+](CC(=O)N(C)C2CC2)CCOC1(C)C ZINC000336488639 177392414 /nfs/dbraw/zinc/39/24/14/177392414.db2.gz CRVMILJXPRKPJB-SNVBAGLBSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1[N@@H+](CC(=O)N(C)C2CC2)CCOC1(C)C ZINC000336488639 177392416 /nfs/dbraw/zinc/39/24/16/177392416.db2.gz CRVMILJXPRKPJB-SNVBAGLBSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C(F)F ZINC000471747482 225077526 /nfs/dbraw/zinc/07/75/26/225077526.db2.gz ORELWWQIECCCPP-MRVPVSSYSA-N 1 2 245.273 1.679 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@H](C)C2)[nH+]1 ZINC000488360305 225388142 /nfs/dbraw/zinc/38/81/42/225388142.db2.gz BAHMGANLBAUJAP-GXSJLCMTSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488360305 225388144 /nfs/dbraw/zinc/38/81/44/225388144.db2.gz BAHMGANLBAUJAP-GXSJLCMTSA-N 1 2 249.362 1.659 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763869 226048169 /nfs/dbraw/zinc/04/81/69/226048169.db2.gz JPKACWGHGQDCBD-HUGTUPKYSA-N 1 2 205.261 1.432 20 0 BDADLO C[C@@H]1C[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492776330 226051675 /nfs/dbraw/zinc/05/16/75/226051675.db2.gz ZSOGJDCNZFDSGB-WUNPDAOYSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1CCCO ZINC000492815509 226059839 /nfs/dbraw/zinc/05/98/39/226059839.db2.gz XJIQLDFFGYBJFZ-FYJFLYSWSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC12CCC2 ZINC000492858741 226068776 /nfs/dbraw/zinc/06/87/76/226068776.db2.gz FZSUYHJFAGGIFH-ONEGZZNKSA-N 1 2 231.299 1.968 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cc(F)ccc1O ZINC000492859596 226069214 /nfs/dbraw/zinc/06/92/14/226069214.db2.gz GSHHORGBAXYBMA-DUXPYHPUSA-N 1 2 247.229 1.906 20 0 BDADLO Cc1ncc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492872251 226072238 /nfs/dbraw/zinc/07/22/38/226072238.db2.gz YPKHZICEEKKLOU-IHWYPQMZSA-N 1 2 234.284 1.827 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000492891417 226076289 /nfs/dbraw/zinc/07/62/89/226076289.db2.gz CWVLORHAZNRVPJ-SGJFDWMWSA-N 1 2 231.259 1.023 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000492891419 226076343 /nfs/dbraw/zinc/07/63/43/226076343.db2.gz CWVLORHAZNRVPJ-YAJNLLPGSA-N 1 2 231.259 1.023 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccncc1 ZINC000492891973 226077000 /nfs/dbraw/zinc/07/70/00/226077000.db2.gz DLLNIJIEZWYMEJ-OWOJBTEDSA-N 1 2 242.282 1.177 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCSC1 ZINC000492899827 226078080 /nfs/dbraw/zinc/07/80/80/226078080.db2.gz NAQGKAHRRZHTKZ-MXQLGCADSA-N 1 2 237.328 1.387 20 0 BDADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cn[nH]c1 ZINC000669686182 487648424 /nfs/dbraw/zinc/64/84/24/487648424.db2.gz ZPLLLCQRTVASBO-UHFFFAOYSA-N 1 2 234.307 1.046 20 0 BDADLO COCC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492916669 226082229 /nfs/dbraw/zinc/08/22/29/226082229.db2.gz AJQLMUVCHPZUOC-PLNGDYQASA-N 1 2 237.303 1.212 20 0 BDADLO Cc1nc(N)c(CNC(=O)/C=C/C(C)(C)C)c[nH+]1 ZINC000493025430 226107104 /nfs/dbraw/zinc/10/71/04/226107104.db2.gz OXAYXSNPGLPSLA-AATRIKPKSA-N 1 2 248.330 1.416 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCS1 ZINC000493041443 226110485 /nfs/dbraw/zinc/11/04/85/226110485.db2.gz YPJBZQOJBXILAN-XOULXFPDSA-N 1 2 237.328 1.435 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069393 226117075 /nfs/dbraw/zinc/11/70/75/226117075.db2.gz HICNPVHODRSCSY-KHVQUVQLSA-N 1 2 205.261 1.195 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC12CCCC2 ZINC000493197398 226153761 /nfs/dbraw/zinc/15/37/61/226153761.db2.gz YIBYLEKWOJZDDM-HMDXOVGESA-N 1 2 231.299 1.872 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)NC1(C(F)F)CC1 ZINC000493197431 226153926 /nfs/dbraw/zinc/15/39/26/226153926.db2.gz YKQKBHNMYMMQHE-UPHRSURJSA-N 1 2 227.214 1.337 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCOCC1 ZINC000493250202 226166116 /nfs/dbraw/zinc/16/61/16/226166116.db2.gz HPUHGNRNEIGCBZ-NSCUHMNNSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CC1 ZINC000493450815 226219616 /nfs/dbraw/zinc/21/96/16/226219616.db2.gz KEZWIHNBIMCUFR-BMPPAVAUSA-N 1 2 231.299 1.585 20 0 BDADLO COC[C@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(C)C ZINC000493452963 226220661 /nfs/dbraw/zinc/22/06/61/226220661.db2.gz LKBHSUWLZXRGJH-LWTINBJPSA-N 1 2 237.303 1.210 20 0 BDADLO Cn1ccc(/C=C/C(=O)NCc2[nH+]ccn2C)c1 ZINC000493541588 226241297 /nfs/dbraw/zinc/24/12/97/226241297.db2.gz CWSORFMYBHQWTJ-ONEGZZNKSA-N 1 2 244.298 1.088 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCC2(CC2)C1 ZINC000493563495 226243730 /nfs/dbraw/zinc/24/37/30/226243730.db2.gz ILWKPWKARFIGHU-IHWYPQMZSA-N 1 2 231.299 1.826 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000493591009 226244860 /nfs/dbraw/zinc/24/48/60/226244860.db2.gz OSEHBHCTHKISEZ-AKPMJDEKSA-N 1 2 231.299 1.728 20 0 BDADLO C[C@H](F)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493594398 226245097 /nfs/dbraw/zinc/24/50/97/226245097.db2.gz YUUIMKINGDLTRO-SGJFDWMWSA-N 1 2 211.240 1.287 20 0 BDADLO CO[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C)C1 ZINC000493613365 226245974 /nfs/dbraw/zinc/24/59/74/226245974.db2.gz OXGCFXCUNYIHBK-YIZUVKHSSA-N 1 2 249.314 1.449 20 0 BDADLO Cc1ccoc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493687153 226249331 /nfs/dbraw/zinc/24/93/31/226249331.db2.gz HANPAIXFXXMRSD-NSCUHMNNSA-N 1 2 231.255 1.641 20 0 BDADLO C[C@@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000493688103 226249395 /nfs/dbraw/zinc/24/93/95/226249395.db2.gz HVEGYARQWQEMES-PCAWENJQSA-N 1 2 235.287 1.108 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000493844188 226256786 /nfs/dbraw/zinc/25/67/86/226256786.db2.gz LRDZQRNGWPAUCQ-QNDCKANFSA-N 1 2 247.298 1.060 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@@H]2C)c(C)[nH+]1 ZINC000496628318 226310094 /nfs/dbraw/zinc/31/00/94/226310094.db2.gz VEWROVIQJPNWMH-SCZZXKLOSA-N 1 2 249.270 1.134 20 0 BDADLO CSC1(C[NH+]2CC3(C2)CN(C)C(=O)O3)CC1 ZINC000496887851 226316777 /nfs/dbraw/zinc/31/67/77/226316777.db2.gz FIMMHAUOXKGLNR-UHFFFAOYSA-N 1 2 242.344 1.018 20 0 BDADLO Cc1nc(NCCC[C@@H]2CCOC2)cc[nH+]1 ZINC000402286648 226369633 /nfs/dbraw/zinc/36/96/33/226369633.db2.gz MAJRFYBFADUKDD-LLVKDONJSA-N 1 2 221.304 1.436 20 0 BDADLO CO[C@@]1(C[NH2+][C@H](C)c2cn[nH]c2C)CCOC1 ZINC000680858984 487659432 /nfs/dbraw/zinc/65/94/32/487659432.db2.gz PPPMQIGDQVEOMC-BXKDBHETSA-N 1 2 239.319 1.174 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1CC2(CC2)C1 ZINC000665106210 487666164 /nfs/dbraw/zinc/66/61/64/487666164.db2.gz WUWGJSGDABMQRU-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO COCCCOC1C[NH+](Cc2ccn(C)c2)C1 ZINC000459590146 229143726 /nfs/dbraw/zinc/14/37/26/229143726.db2.gz JGXUGTFHGGQIJY-UHFFFAOYSA-N 1 2 238.331 1.262 20 0 BDADLO CCOC1CC(CN2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000671685273 487690533 /nfs/dbraw/zinc/69/05/33/487690533.db2.gz KQBZQHWTCSVHIA-HSBZDZAISA-N 1 2 240.391 1.828 20 0 BDADLO CCOC1CC(CN2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000671685273 487690538 /nfs/dbraw/zinc/69/05/38/487690538.db2.gz KQBZQHWTCSVHIA-HSBZDZAISA-N 1 2 240.391 1.828 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cn(C)cn1 ZINC000660147773 487693135 /nfs/dbraw/zinc/69/31/35/487693135.db2.gz FHCRIIHRFNVFNJ-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cn(C)cn1 ZINC000660147773 487693139 /nfs/dbraw/zinc/69/31/39/487693139.db2.gz FHCRIIHRFNVFNJ-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO COC[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](C)O1 ZINC000527234641 262834910 /nfs/dbraw/zinc/83/49/10/262834910.db2.gz NOZMXPWJCUVGJN-UWVGGRQHSA-N 1 2 217.284 1.224 20 0 BDADLO COC[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](C)O1 ZINC000527234641 262834911 /nfs/dbraw/zinc/83/49/11/262834911.db2.gz NOZMXPWJCUVGJN-UWVGGRQHSA-N 1 2 217.284 1.224 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCF ZINC000671711036 487701922 /nfs/dbraw/zinc/70/19/22/487701922.db2.gz SBHHVEQVQOSCBL-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCF ZINC000671711036 487701926 /nfs/dbraw/zinc/70/19/26/487701926.db2.gz SBHHVEQVQOSCBL-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(O)c(F)c1 ZINC000681045794 487706095 /nfs/dbraw/zinc/70/60/95/487706095.db2.gz XUGXVTRPBBRXOS-UHFFFAOYSA-N 1 2 249.245 1.227 20 0 BDADLO O=C([O-])c1cc(N2CC[N@@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000250245979 487728683 /nfs/dbraw/zinc/72/86/83/487728683.db2.gz MCWJZWYEKIBTDM-NSHDSACASA-N 1 2 247.298 1.064 20 0 BDADLO O=C([O-])c1cc(N2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000250245979 487728691 /nfs/dbraw/zinc/72/86/91/487728691.db2.gz MCWJZWYEKIBTDM-NSHDSACASA-N 1 2 247.298 1.064 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665692049 487731668 /nfs/dbraw/zinc/73/16/68/487731668.db2.gz DCQZMDYIUYCOLI-HTQZYQBOSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665692049 487731672 /nfs/dbraw/zinc/73/16/72/487731672.db2.gz DCQZMDYIUYCOLI-HTQZYQBOSA-N 1 2 220.276 1.349 20 0 BDADLO CCC[C@@H](C)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665691911 487731875 /nfs/dbraw/zinc/73/18/75/487731875.db2.gz AHZGQRXXBFRVII-SECBINFHSA-N 1 2 236.319 1.906 20 0 BDADLO CCC[C@@H](C)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665691911 487731882 /nfs/dbraw/zinc/73/18/82/487731882.db2.gz AHZGQRXXBFRVII-SECBINFHSA-N 1 2 236.319 1.906 20 0 BDADLO COCC[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665697292 487732820 /nfs/dbraw/zinc/73/28/20/487732820.db2.gz XHETWDSIPADCQT-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO COCC[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665697292 487732826 /nfs/dbraw/zinc/73/28/26/487732826.db2.gz XHETWDSIPADCQT-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO C[C@H](CNc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000665694443 487733481 /nfs/dbraw/zinc/73/34/81/487733481.db2.gz OAQOEAOUQCYIAC-MRVPVSSYSA-N 1 2 234.303 1.739 20 0 BDADLO C[C@H](CNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665694443 487733485 /nfs/dbraw/zinc/73/34/85/487733485.db2.gz OAQOEAOUQCYIAC-MRVPVSSYSA-N 1 2 234.303 1.739 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCCOC(C)C ZINC000118002742 487733011 /nfs/dbraw/zinc/73/30/11/487733011.db2.gz DUIMWGDLCUEPEP-UHFFFAOYSA-N 1 2 217.309 1.343 20 0 BDADLO C[C@@H](CNc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000665694444 487733171 /nfs/dbraw/zinc/73/31/71/487733171.db2.gz OAQOEAOUQCYIAC-QMMMGPOBSA-N 1 2 234.303 1.739 20 0 BDADLO C[C@@H](CNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665694444 487733176 /nfs/dbraw/zinc/73/31/76/487733176.db2.gz OAQOEAOUQCYIAC-QMMMGPOBSA-N 1 2 234.303 1.739 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000665709642 487736593 /nfs/dbraw/zinc/73/65/93/487736593.db2.gz RNPWOPISGZHUEU-NXEZZACHSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C[C@H]1C ZINC000665709642 487736599 /nfs/dbraw/zinc/73/65/99/487736599.db2.gz RNPWOPISGZHUEU-NXEZZACHSA-N 1 2 248.330 1.763 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665713978 487737814 /nfs/dbraw/zinc/73/78/14/487737814.db2.gz XDYGUWDEDUHIQL-JGVFFNPUSA-N 1 2 238.291 1.116 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665713978 487737819 /nfs/dbraw/zinc/73/78/19/487737819.db2.gz XDYGUWDEDUHIQL-JGVFFNPUSA-N 1 2 238.291 1.116 20 0 BDADLO CC1=C[C@H](C)CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665716441 487739052 /nfs/dbraw/zinc/73/90/52/487739052.db2.gz DAVOHWVMVIXLGT-VIFPVBQESA-N 1 2 246.314 1.683 20 0 BDADLO CC1=C[C@H](C)CN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665716441 487739059 /nfs/dbraw/zinc/73/90/59/487739059.db2.gz DAVOHWVMVIXLGT-VIFPVBQESA-N 1 2 246.314 1.683 20 0 BDADLO O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1ccon1 ZINC000681168946 487741820 /nfs/dbraw/zinc/74/18/20/487741820.db2.gz VOFJIMPQDRGHPQ-UHFFFAOYSA-N 1 2 235.287 1.489 20 0 BDADLO O=C(C[N@H+]1CCCC2(CC2)C1)Nc1ccon1 ZINC000681168946 487741823 /nfs/dbraw/zinc/74/18/23/487741823.db2.gz VOFJIMPQDRGHPQ-UHFFFAOYSA-N 1 2 235.287 1.489 20 0 BDADLO CC[C@H]1C[C@]2(CCO1)NC(=O)C[N@@H+]2CC(C)C ZINC000666169001 487742810 /nfs/dbraw/zinc/74/28/10/487742810.db2.gz LOMNAKRMZVTHFB-WCQYABFASA-N 1 2 240.347 1.360 20 0 BDADLO CC[C@H]1C[C@]2(CCO1)NC(=O)C[N@H+]2CC(C)C ZINC000666169001 487742813 /nfs/dbraw/zinc/74/28/13/487742813.db2.gz LOMNAKRMZVTHFB-WCQYABFASA-N 1 2 240.347 1.360 20 0 BDADLO CC(C)[C@@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681189148 487743901 /nfs/dbraw/zinc/74/39/01/487743901.db2.gz IPBUBUACFJZPCE-CYBMUJFWSA-N 1 2 247.298 1.680 20 0 BDADLO CC[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788083318 585030530 /nfs/dbraw/zinc/03/05/30/585030530.db2.gz KGVSPSGROFMPJZ-NXEZZACHSA-N 1 2 217.284 1.620 20 0 BDADLO C[C@H](CCCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651479399 487751705 /nfs/dbraw/zinc/75/17/05/487751705.db2.gz YVOQUZLCEBXKNE-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000557771760 322941996 /nfs/dbraw/zinc/94/19/96/322941996.db2.gz JPIFSGOJALJXIV-UTUOFQBUSA-N 1 2 249.358 1.904 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc(C2CC2)no1 ZINC000669605688 487758063 /nfs/dbraw/zinc/75/80/63/487758063.db2.gz JPBZULBKRUINHJ-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc(C2CC2)no1 ZINC000669605688 487758066 /nfs/dbraw/zinc/75/80/66/487758066.db2.gz JPBZULBKRUINHJ-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000668448591 487770450 /nfs/dbraw/zinc/77/04/50/487770450.db2.gz RKKCSFHDLFIVJY-ZJUUUORDSA-N 1 2 237.303 1.183 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000666266602 487777330 /nfs/dbraw/zinc/77/73/30/487777330.db2.gz GVJDPUSKLOHPKF-NXEZZACHSA-N 1 2 219.288 1.144 20 0 BDADLO C[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000681363601 487784631 /nfs/dbraw/zinc/78/46/31/487784631.db2.gz SFMBONGINZQVGO-QWRGUYRKSA-N 1 2 247.342 1.944 20 0 BDADLO CC(C)OCCO[NH+]=C(N)COC(C)(C)C ZINC000768930315 585546255 /nfs/dbraw/zinc/54/62/55/585546255.db2.gz IKRHHLIBLANWDF-UHFFFAOYSA-N 1 2 232.324 1.725 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000768935500 585546310 /nfs/dbraw/zinc/54/63/10/585546310.db2.gz UEFACHSZFXFHPE-SECBINFHSA-N 1 2 232.324 1.725 20 0 BDADLO C[C@@H]1C[N@H+](CCCF)C[C@H](C(F)(F)F)O1 ZINC000675892275 487787258 /nfs/dbraw/zinc/78/72/58/487787258.db2.gz OIODNLXUDIWLLB-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1C[N@@H+](CCCF)C[C@H](C(F)(F)F)O1 ZINC000675892275 487787264 /nfs/dbraw/zinc/78/72/64/487787264.db2.gz OIODNLXUDIWLLB-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000591136106 487790128 /nfs/dbraw/zinc/79/01/28/487790128.db2.gz HRZHYQUQFMXWMB-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000359855151 487790701 /nfs/dbraw/zinc/79/07/01/487790701.db2.gz XEXRBYSNDDUVJE-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO COCCC1C[NH+](Cc2cn(C(C)C)nn2)C1 ZINC000668471706 487795847 /nfs/dbraw/zinc/79/58/47/487795847.db2.gz IJHGIHGTUWEXAO-UHFFFAOYSA-N 1 2 238.335 1.327 20 0 BDADLO COCCC1C[NH+](Cc2cn[nH]c2C)C1 ZINC000668472662 487797943 /nfs/dbraw/zinc/79/79/43/487797943.db2.gz ONMNREVMXYLRME-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO COCC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000676079631 487810207 /nfs/dbraw/zinc/81/02/07/487810207.db2.gz FUSVXHWYOKJDIO-MRVPVSSYSA-N 1 2 239.323 1.083 20 0 BDADLO COCC[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000676079631 487810215 /nfs/dbraw/zinc/81/02/15/487810215.db2.gz FUSVXHWYOKJDIO-MRVPVSSYSA-N 1 2 239.323 1.083 20 0 BDADLO CCCCCNC(=O)Cc1c[nH+]cn1C ZINC000681550402 487812015 /nfs/dbraw/zinc/81/20/15/487812015.db2.gz TXEBYTBLCKRUCO-UHFFFAOYSA-N 1 2 209.293 1.269 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1c(O)cccc1F ZINC000681553603 487814547 /nfs/dbraw/zinc/81/45/47/487814547.db2.gz MPWZMSJDKQDICU-UHFFFAOYSA-N 1 2 249.245 1.446 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000681580464 487817448 /nfs/dbraw/zinc/81/74/48/487817448.db2.gz MEWOOMBMBJCGKV-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1cc(NC(=O)N[C@@]23C[C@@H]2CCC3)cc[nH+]1 ZINC000666492211 487820662 /nfs/dbraw/zinc/82/06/62/487820662.db2.gz NDYUMXIYRGGDCA-GWCFXTLKSA-N 1 2 231.299 1.876 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000666492148 487820864 /nfs/dbraw/zinc/82/08/64/487820864.db2.gz AHSLVWPXFQCIET-GWCFXTLKSA-N 1 2 231.299 1.876 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000666493607 487820892 /nfs/dbraw/zinc/82/08/92/487820892.db2.gz JTAOOKPUQNNQLX-PWSUYJOCSA-N 1 2 235.287 1.111 20 0 BDADLO CO[C@H](C)CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569347757 487822543 /nfs/dbraw/zinc/82/25/43/487822543.db2.gz PGZJCXBNMUGERQ-SECBINFHSA-N 1 2 239.319 1.576 20 0 BDADLO CCNC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219948 528070969 /nfs/dbraw/zinc/07/09/69/528070969.db2.gz NCFJCWCZSBGRBN-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CCNC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219948 528070976 /nfs/dbraw/zinc/07/09/76/528070976.db2.gz NCFJCWCZSBGRBN-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)CSC(F)F)C1 ZINC000837540342 587880527 /nfs/dbraw/zinc/88/05/27/587880527.db2.gz BNKVCHQKLFGABL-UHFFFAOYSA-N 1 2 238.303 1.151 20 0 BDADLO CC(C)[C@@H](F)C(=O)NC1C[NH+](C(C)C)C1 ZINC000837546450 587880728 /nfs/dbraw/zinc/88/07/28/587880728.db2.gz SSDUANGLWBXZJG-SNVBAGLBSA-N 1 2 216.300 1.189 20 0 BDADLO CCC[C@@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000676335357 487839974 /nfs/dbraw/zinc/83/99/74/487839974.db2.gz BBYKRUIKLQBRHW-CYBMUJFWSA-N 1 2 247.298 1.824 20 0 BDADLO c1nn2c(c1C[N@@H+]1CCOCC13CC3)CCC2 ZINC000668112814 487841481 /nfs/dbraw/zinc/84/14/81/487841481.db2.gz YOCOKAQZMXVZNU-UHFFFAOYSA-N 1 2 233.315 1.194 20 0 BDADLO c1nn2c(c1C[N@H+]1CCOCC13CC3)CCC2 ZINC000668112814 487841486 /nfs/dbraw/zinc/84/14/86/487841486.db2.gz YOCOKAQZMXVZNU-UHFFFAOYSA-N 1 2 233.315 1.194 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCOC(F)F ZINC000851813433 588632891 /nfs/dbraw/zinc/63/28/91/588632891.db2.gz TXWJJFMBLDVIPH-SFYZADRCSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCOC(F)F ZINC000851813433 588632892 /nfs/dbraw/zinc/63/28/92/588632892.db2.gz TXWJJFMBLDVIPH-SFYZADRCSA-N 1 2 209.236 1.335 20 0 BDADLO CC1(O)C[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000089647892 487842258 /nfs/dbraw/zinc/84/22/58/487842258.db2.gz XAIIMNDCNNFEHF-UHFFFAOYSA-N 1 2 246.285 1.941 20 0 BDADLO CCCCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000121203817 589517833 /nfs/dbraw/zinc/51/78/33/589517833.db2.gz ICTBQJPHNHBXBB-LBPRGKRZSA-N 1 2 231.336 1.734 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@@H](O)C(C)(C)C)CC2 ZINC000676450958 487851478 /nfs/dbraw/zinc/85/14/78/487851478.db2.gz FTHVXXMQNABWKD-LLVKDONJSA-N 1 2 237.347 1.414 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@@H](O)C(C)(C)C)CC2 ZINC000676450958 487851480 /nfs/dbraw/zinc/85/14/80/487851480.db2.gz FTHVXXMQNABWKD-LLVKDONJSA-N 1 2 237.347 1.414 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cncc(F)c1 ZINC000681750465 487853701 /nfs/dbraw/zinc/85/37/01/487853701.db2.gz XGTJJJBLODFIRV-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cncc(F)c1 ZINC000681750465 487853705 /nfs/dbraw/zinc/85/37/05/487853705.db2.gz XGTJJJBLODFIRV-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1)C[C@H](O)C(F)(F)F ZINC000681755809 487855678 /nfs/dbraw/zinc/85/56/78/487855678.db2.gz PBBKWDGUZWJGPW-QMMMGPOBSA-N 1 2 237.225 1.155 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1)C[C@H](O)C(F)(F)F ZINC000681755809 487855681 /nfs/dbraw/zinc/85/56/81/487855681.db2.gz PBBKWDGUZWJGPW-QMMMGPOBSA-N 1 2 237.225 1.155 20 0 BDADLO Cc1nc(N2CCCOC[C@@H]2C)cc[nH+]1 ZINC000676492978 487856786 /nfs/dbraw/zinc/85/67/86/487856786.db2.gz ZXHVYQLWCWKWOW-VIFPVBQESA-N 1 2 207.277 1.400 20 0 BDADLO c1ccc2c(CC[NH+]3CCOCC3)noc2c1 ZINC000653479471 487861429 /nfs/dbraw/zinc/86/14/29/487861429.db2.gz UWLQKLOWTBFENA-UHFFFAOYSA-N 1 2 232.283 1.703 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000676516229 487863662 /nfs/dbraw/zinc/86/36/62/487863662.db2.gz XPEUEWFBTOMKCK-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000676516229 487863665 /nfs/dbraw/zinc/86/36/65/487863665.db2.gz XPEUEWFBTOMKCK-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CN(Cc1ccoc1)Cc1cn(C)c[nH+]1 ZINC000659852903 487863677 /nfs/dbraw/zinc/86/36/77/487863677.db2.gz QXIMQDDGAXCWRF-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cnc(C[N@H+](C)Cc2ccoc2)c1 ZINC000659852903 487863680 /nfs/dbraw/zinc/86/36/80/487863680.db2.gz QXIMQDDGAXCWRF-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cnc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000659852903 487863683 /nfs/dbraw/zinc/86/36/83/487863683.db2.gz QXIMQDDGAXCWRF-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO CN(CCO)c1ccc(NCc2cc[nH]c2)[nH+]c1 ZINC000676556655 487871711 /nfs/dbraw/zinc/87/17/11/487871711.db2.gz XGVGHXFCKGLAFR-UHFFFAOYSA-N 1 2 246.314 1.450 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1CC12CC2 ZINC000569354006 322963127 /nfs/dbraw/zinc/96/31/27/322963127.db2.gz VWKWQANDZJDDAD-UWVGGRQHSA-N 1 2 248.330 1.816 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000569502006 322968295 /nfs/dbraw/zinc/96/82/95/322968295.db2.gz KPCVZXFMNPJKKJ-UHFFFAOYSA-N 1 2 240.347 1.060 20 0 BDADLO O[C@@H]1C[N@H+](CCCCCF)CC(F)(F)C1 ZINC000671243730 487880092 /nfs/dbraw/zinc/88/00/92/487880092.db2.gz QCXAXWPJSOHRSF-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO O[C@@H]1C[N@@H+](CCCCCF)CC(F)(F)C1 ZINC000671243730 487880094 /nfs/dbraw/zinc/88/00/94/487880094.db2.gz QCXAXWPJSOHRSF-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC1CCC1 ZINC000682034597 487886565 /nfs/dbraw/zinc/88/65/65/487886565.db2.gz VYNRGKKJNZKPLE-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC1CCC1 ZINC000682034597 487886568 /nfs/dbraw/zinc/88/65/68/487886568.db2.gz VYNRGKKJNZKPLE-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCCOC1 ZINC000682034328 487887132 /nfs/dbraw/zinc/88/71/32/487887132.db2.gz XIICXTDMESKBKM-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@H]1CCCOC1 ZINC000682034328 487887136 /nfs/dbraw/zinc/88/71/36/487887136.db2.gz XIICXTDMESKBKM-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO CC[C@@H](NC(=O)CCn1cccc1)c1[nH]cc[nH+]1 ZINC000682041041 487887482 /nfs/dbraw/zinc/88/74/82/487887482.db2.gz HDJDTJWYOULJMZ-LLVKDONJSA-N 1 2 246.314 1.869 20 0 BDADLO Cc1ccoc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000668535762 487898878 /nfs/dbraw/zinc/89/88/78/487898878.db2.gz KQTVFSMOPHJIOB-UHFFFAOYSA-N 1 2 233.271 1.213 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+]2CC=CCC2)n1 ZINC000679322772 487902816 /nfs/dbraw/zinc/90/28/16/487902816.db2.gz BMBQJWVAGPCOMW-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679322772 487902820 /nfs/dbraw/zinc/90/28/20/487902820.db2.gz BMBQJWVAGPCOMW-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000682089177 487907484 /nfs/dbraw/zinc/90/74/84/487907484.db2.gz KYIWQLFFBSJAKE-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000682089177 487907486 /nfs/dbraw/zinc/90/74/86/487907486.db2.gz KYIWQLFFBSJAKE-PSASIEDQSA-N 1 2 239.319 1.532 20 0 BDADLO COC(=O)C[N@H+](Cc1cn(C)nc1C)C(C)C ZINC000093286895 487910242 /nfs/dbraw/zinc/91/02/42/487910242.db2.gz XVMLTLARCXPMLG-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO COC(=O)C[N@@H+](Cc1cn(C)nc1C)C(C)C ZINC000093286895 487910247 /nfs/dbraw/zinc/91/02/47/487910247.db2.gz XVMLTLARCXPMLG-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1c(Cl)cnn1C ZINC000682155868 487917094 /nfs/dbraw/zinc/91/70/94/487917094.db2.gz FLEXBLZIGYLHNQ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1c(Cl)cnn1C ZINC000682155868 487917096 /nfs/dbraw/zinc/91/70/96/487917096.db2.gz FLEXBLZIGYLHNQ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC[C@@H]1CCOC1 ZINC000682164889 487921598 /nfs/dbraw/zinc/92/15/98/487921598.db2.gz BSORSZWFZITEHP-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC[C@@H]1CCOC1 ZINC000682164889 487921601 /nfs/dbraw/zinc/92/16/01/487921601.db2.gz BSORSZWFZITEHP-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)CO1 ZINC000682202476 487926433 /nfs/dbraw/zinc/92/64/33/487926433.db2.gz NYBSVOIWOVONFA-VHSXEESVSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)CO1 ZINC000682202478 487926601 /nfs/dbraw/zinc/92/66/01/487926601.db2.gz NYBSVOIWOVONFA-ZJUUUORDSA-N 1 2 245.282 1.698 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@H]1COC(C)(C)C1 ZINC000396490123 487936066 /nfs/dbraw/zinc/93/60/66/487936066.db2.gz CAAZBBHNYLLVDA-SNVBAGLBSA-N 1 2 245.326 1.975 20 0 BDADLO CC[C@H](NC(=O)CC(C)(C)O)c1[nH]cc[nH+]1 ZINC000331015114 487936287 /nfs/dbraw/zinc/93/62/87/487936287.db2.gz OYQBHPXSZOTIDZ-QMMMGPOBSA-N 1 2 225.292 1.138 20 0 BDADLO CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000560606315 322990214 /nfs/dbraw/zinc/99/02/14/322990214.db2.gz UGLKGBHRDADGPQ-UHFFFAOYSA-N 1 2 220.263 1.100 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000561720658 323005858 /nfs/dbraw/zinc/00/58/58/323005858.db2.gz URTAJWMIAQANRK-OUAUKWLOSA-N 1 2 248.330 1.296 20 0 BDADLO C[C@@H](c1ccco1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000561825760 323007606 /nfs/dbraw/zinc/00/76/06/323007606.db2.gz IKYAMLVXVQROIP-JTQLQIEISA-N 1 2 233.271 1.696 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000129593323 323008849 /nfs/dbraw/zinc/00/88/49/323008849.db2.gz BEIYMUGHYJVFKN-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000564523226 323009336 /nfs/dbraw/zinc/00/93/36/323009336.db2.gz JEBBYVQBXCSMDV-WDEREUQCSA-N 1 2 235.287 1.111 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](OC(C)C)C2)s1 ZINC000564726386 323010183 /nfs/dbraw/zinc/01/01/83/323010183.db2.gz KZHCRDUCDFOZND-SNVBAGLBSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](OC(C)C)C2)s1 ZINC000564726386 323010184 /nfs/dbraw/zinc/01/01/84/323010184.db2.gz KZHCRDUCDFOZND-SNVBAGLBSA-N 1 2 241.360 1.846 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@](C)(F)C1)n1cc[nH+]c1 ZINC000564731977 323012350 /nfs/dbraw/zinc/01/23/50/323012350.db2.gz NKSMNNPDOATONH-CMPLNLGQSA-N 1 2 239.294 1.795 20 0 BDADLO C[C@H](CC(=O)N1CC[C@](C)(F)C1)n1cc[nH+]c1 ZINC000564731985 323012404 /nfs/dbraw/zinc/01/24/04/323012404.db2.gz NKSMNNPDOATONH-PWSUYJOCSA-N 1 2 239.294 1.795 20 0 BDADLO CCc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000565082552 323013522 /nfs/dbraw/zinc/01/35/22/323013522.db2.gz FMNDPFKXUIAUCQ-UHFFFAOYSA-N 1 2 229.270 1.966 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC2CCC1CC2 ZINC000562278273 323014562 /nfs/dbraw/zinc/01/45/62/323014562.db2.gz WUAYVSJMBROHSB-XIVSLSHWSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cnn(C(C)C)c1 ZINC000564737477 323015350 /nfs/dbraw/zinc/01/53/50/323015350.db2.gz INDLHDRZHUUPRU-UHFFFAOYSA-N 1 2 247.302 1.677 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562444881 323020215 /nfs/dbraw/zinc/02/02/15/323020215.db2.gz WZOWLNINGJGWDK-OCAPTIKFSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562444881 323020216 /nfs/dbraw/zinc/02/02/16/323020216.db2.gz WZOWLNINGJGWDK-OCAPTIKFSA-N 1 2 227.333 1.456 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2c[nH]c[nH+]2)[C@@H]1SC ZINC000562687717 323027717 /nfs/dbraw/zinc/02/77/17/323027717.db2.gz SDQKMTPDNMCRKS-MRTMQBJTSA-N 1 2 227.333 1.731 20 0 BDADLO CO[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)C1CC1 ZINC000562747476 323029555 /nfs/dbraw/zinc/02/95/55/323029555.db2.gz GXIJLUNKDSQXOE-LBPRGKRZSA-N 1 2 249.314 1.583 20 0 BDADLO CC[C@@]1(C)C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000135588089 323029948 /nfs/dbraw/zinc/02/99/48/323029948.db2.gz WWJUVPSDINWFSK-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000135588089 323029949 /nfs/dbraw/zinc/02/99/49/323029949.db2.gz WWJUVPSDINWFSK-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC[C@@H]1CCOC1 ZINC000401307059 323031645 /nfs/dbraw/zinc/03/16/45/323031645.db2.gz HJXVGGXBJDMULR-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@](O)(C(F)F)C1 ZINC000565225199 323034372 /nfs/dbraw/zinc/03/43/72/323034372.db2.gz CBHNQDUQKGHRLC-LLVKDONJSA-N 1 2 243.257 1.300 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000569690716 323037113 /nfs/dbraw/zinc/03/71/13/323037113.db2.gz KCXMJKQLOKXLKE-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000569690716 323037114 /nfs/dbraw/zinc/03/71/14/323037114.db2.gz KCXMJKQLOKXLKE-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO CS[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569815416 323041468 /nfs/dbraw/zinc/04/14/68/323041468.db2.gz VKMBVXSVCBVLHZ-UWVGGRQHSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000569826137 323042020 /nfs/dbraw/zinc/04/20/20/323042020.db2.gz XEYSYBLOGHJCLF-KXUCPTDWSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000569826137 323042021 /nfs/dbraw/zinc/04/20/21/323042021.db2.gz XEYSYBLOGHJCLF-KXUCPTDWSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000569878230 323043595 /nfs/dbraw/zinc/04/35/95/323043595.db2.gz IZYFNSRLXMQWPT-GHMZBOCLSA-N 1 2 235.331 1.467 20 0 BDADLO CC(C)c1nnc(N2CCn3cc[nH+]c3C2)n1C ZINC000570130316 323050531 /nfs/dbraw/zinc/05/05/31/323050531.db2.gz NDVAMXCLBPXWAH-UHFFFAOYSA-N 1 2 246.318 1.155 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCC=C(F)C1 ZINC000570128209 323050667 /nfs/dbraw/zinc/05/06/67/323050667.db2.gz ZPJHHJOLKDAWPH-UHFFFAOYSA-N 1 2 208.236 1.846 20 0 BDADLO Oc1cccnc1C[N@H+]1CCC=C(F)C1 ZINC000570128209 323050668 /nfs/dbraw/zinc/05/06/68/323050668.db2.gz ZPJHHJOLKDAWPH-UHFFFAOYSA-N 1 2 208.236 1.846 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCOCC(F)(F)F ZINC000064626471 323053234 /nfs/dbraw/zinc/05/32/34/323053234.db2.gz UICXUWAWLWKFDZ-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCOCC(F)(F)F ZINC000064626471 323053235 /nfs/dbraw/zinc/05/32/35/323053235.db2.gz UICXUWAWLWKFDZ-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO OC[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1O ZINC000317678875 323058183 /nfs/dbraw/zinc/05/81/83/323058183.db2.gz PLJWSZJACFIIJQ-YPMHNXCESA-N 1 2 244.294 1.024 20 0 BDADLO CC[C@@H](C[N@@H+]1CCC[C@@H]1c1ncon1)OC ZINC000570425889 323059389 /nfs/dbraw/zinc/05/93/89/323059389.db2.gz BJXBTGIFSUIIOB-VHSXEESVSA-N 1 2 225.292 1.632 20 0 BDADLO CC[C@@H](C[N@H+]1CCC[C@@H]1c1ncon1)OC ZINC000570425889 323059390 /nfs/dbraw/zinc/05/93/90/323059390.db2.gz BJXBTGIFSUIIOB-VHSXEESVSA-N 1 2 225.292 1.632 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)[C@H]1C ZINC000570423935 323059392 /nfs/dbraw/zinc/05/93/92/323059392.db2.gz KNBBUDNZQRYBBH-VWYCJHECSA-N 1 2 221.304 1.386 20 0 BDADLO CC[C@H](CCO)CNc1[nH+]cccc1OC ZINC000160252212 323064543 /nfs/dbraw/zinc/06/45/43/323064543.db2.gz ZWOIDJOTXJGJQL-SNVBAGLBSA-N 1 2 224.304 1.911 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000570891978 323073553 /nfs/dbraw/zinc/07/35/53/323073553.db2.gz FTUQPQXBPWBUDU-NXEZZACHSA-N 1 2 219.288 1.313 20 0 BDADLO Cn1cc[nH+]c1CN(C#N)c1ccccc1 ZINC000158829569 323073880 /nfs/dbraw/zinc/07/38/80/323073880.db2.gz JZLOQQGIKDQEQX-UHFFFAOYSA-N 1 2 212.256 1.908 20 0 BDADLO CCOC(=O)C[NH+]1CCC(OC(C)C)CC1 ZINC000531163797 323079360 /nfs/dbraw/zinc/07/93/60/323079360.db2.gz YGDGBRWLWUBDTB-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO CCc1ncc(C(=O)Nc2cc[nH+]cc2O)s1 ZINC000531359861 323088155 /nfs/dbraw/zinc/08/81/55/323088155.db2.gz DTIPHTSOZKQVME-UHFFFAOYSA-N 1 2 249.295 1.480 20 0 BDADLO O=C(CCOCC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000531435832 323089553 /nfs/dbraw/zinc/08/95/53/323089553.db2.gz XWBJBLJLAMMBNO-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC12CCC2 ZINC000531439735 323089717 /nfs/dbraw/zinc/08/97/17/323089717.db2.gz ZGHOEMODFWIGMS-UHFFFAOYSA-N 1 2 234.303 1.258 20 0 BDADLO CC(C)OCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570975324 323102535 /nfs/dbraw/zinc/10/25/35/323102535.db2.gz DSMKADIZZLLTMY-UHFFFAOYSA-N 1 2 225.292 1.186 20 0 BDADLO COC[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000571060379 323106251 /nfs/dbraw/zinc/10/62/51/323106251.db2.gz MIZBDQFAETXGPV-NSHDSACASA-N 1 2 221.304 1.566 20 0 BDADLO CO[C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567995688 323106911 /nfs/dbraw/zinc/10/69/11/323106911.db2.gz SELHGGVHCUCADZ-GHMZBOCLSA-N 1 2 239.319 1.328 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(CO)c1 ZINC000534063960 323113294 /nfs/dbraw/zinc/11/32/94/323113294.db2.gz XOQTZJPDFRMBPH-SNVBAGLBSA-N 1 2 231.299 1.753 20 0 BDADLO CCCCOCC(=O)Nc1cc(C)[nH+]cc1C ZINC000534300005 323115857 /nfs/dbraw/zinc/11/58/57/323115857.db2.gz SFHUHWRAFVVTCU-UHFFFAOYSA-N 1 2 236.315 1.876 20 0 BDADLO Cc1cc(NC(=O)N(CCO)C2CC2)c(C)c[nH+]1 ZINC000534325330 323116585 /nfs/dbraw/zinc/11/65/85/323116585.db2.gz QZDMQFVRUNYQNO-UHFFFAOYSA-N 1 2 249.314 1.109 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC(=O)CC12CCC2 ZINC000563365204 323121179 /nfs/dbraw/zinc/12/11/79/323121179.db2.gz KRGBYIVWJZXAMI-UHFFFAOYSA-N 1 2 247.342 1.816 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC(=O)CC12CCC2 ZINC000563365204 323121180 /nfs/dbraw/zinc/12/11/80/323121180.db2.gz KRGBYIVWJZXAMI-UHFFFAOYSA-N 1 2 247.342 1.816 20 0 BDADLO Cc1c[nH+]c2cc(-c3nc(N(C)C)no3)ccn12 ZINC000563421056 323124060 /nfs/dbraw/zinc/12/40/60/323124060.db2.gz FXZZJOJMXDHFMY-UHFFFAOYSA-N 1 2 243.270 1.759 20 0 BDADLO COc1ccc[nH+]c1N1CCC(C)(CO)CC1 ZINC000401870866 323128782 /nfs/dbraw/zinc/12/87/82/323128782.db2.gz BTVJFOCIHGKKLN-UHFFFAOYSA-N 1 2 236.315 1.689 20 0 BDADLO Cn1cc[nH+]c1CN1Cc2cccnc2C1 ZINC000563636612 323133207 /nfs/dbraw/zinc/13/32/07/323133207.db2.gz MDYNZQMDIHYRAN-UHFFFAOYSA-N 1 2 214.272 1.331 20 0 BDADLO CCN(CC(F)F)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571416369 323144221 /nfs/dbraw/zinc/14/42/21/323144221.db2.gz JWRLMRQLVNTWLV-MRVPVSSYSA-N 1 2 245.273 1.702 20 0 BDADLO CCN(CC(F)F)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571416369 323144222 /nfs/dbraw/zinc/14/42/22/323144222.db2.gz JWRLMRQLVNTWLV-MRVPVSSYSA-N 1 2 245.273 1.702 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)[C@@H]1SC ZINC000571522742 323146775 /nfs/dbraw/zinc/14/67/75/323146775.db2.gz QALQCPIFHXEFIS-AXFHLTTASA-N 1 2 241.360 1.408 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C[C@@H]1C ZINC000451552876 323150251 /nfs/dbraw/zinc/15/02/51/323150251.db2.gz ZGUPAIBUEBPXCB-GXSJLCMTSA-N 1 2 238.335 1.360 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C[C@@H]1C ZINC000451552876 323150252 /nfs/dbraw/zinc/15/02/52/323150252.db2.gz ZGUPAIBUEBPXCB-GXSJLCMTSA-N 1 2 238.335 1.360 20 0 BDADLO CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000048645180 323154198 /nfs/dbraw/zinc/15/41/98/323154198.db2.gz PUDJZADERZWPGK-UHFFFAOYSA-N 1 2 237.303 1.127 20 0 BDADLO CCCOCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000049179132 323158573 /nfs/dbraw/zinc/15/85/73/323158573.db2.gz DLVFRMJIXPLMNJ-UHFFFAOYSA-N 1 2 237.303 1.513 20 0 BDADLO CCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535061253 323164919 /nfs/dbraw/zinc/16/49/19/323164919.db2.gz FAPHSRHYTLOZJI-UHFFFAOYSA-N 1 2 207.277 1.604 20 0 BDADLO CCc1nc(C[N@H+](C)CC(C)(C)OC)no1 ZINC000532086985 323172655 /nfs/dbraw/zinc/17/26/55/323172655.db2.gz SWIMRCDQRPQCJY-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nc(C[N@@H+](C)CC(C)(C)OC)no1 ZINC000532086985 323172656 /nfs/dbraw/zinc/17/26/56/323172656.db2.gz SWIMRCDQRPQCJY-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO COC(=O)C[C@@H]1CC[C@H](Nc2c[nH]c[nH+]2)[C@H]1C ZINC000564537173 323174440 /nfs/dbraw/zinc/17/44/40/323174440.db2.gz PJLSMHKTTNYBDK-GUBZILKMSA-N 1 2 237.303 1.799 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)no1 ZINC000567059378 323174446 /nfs/dbraw/zinc/17/44/46/323174446.db2.gz WQETTXZQNOREFQ-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)no1 ZINC000567059378 323174447 /nfs/dbraw/zinc/17/44/47/323174447.db2.gz WQETTXZQNOREFQ-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(C)(NC(=O)c1cscn1)c1[nH]cc[nH+]1 ZINC000563816628 323179031 /nfs/dbraw/zinc/17/90/31/323179031.db2.gz MMUHYWJNIXRVNJ-UHFFFAOYSA-N 1 2 236.300 1.531 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC(C2CCC2)C1 ZINC000563846089 323180496 /nfs/dbraw/zinc/18/04/96/323180496.db2.gz RFSJDTPYEPFVIW-UHFFFAOYSA-N 1 2 248.330 1.362 20 0 BDADLO CCn1ccnc1CNc1ccc(N(C)C)[nH+]c1 ZINC000051922087 323191795 /nfs/dbraw/zinc/19/17/95/323191795.db2.gz BJBWBOGBOBCUAH-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO C[C@@H](CC(=O)NCC12CC(C1)CO2)n1cc[nH+]c1 ZINC000529867885 323193136 /nfs/dbraw/zinc/19/31/36/323193136.db2.gz GWRIXXQTHHIPPS-ZBOXLXRLSA-N 1 2 249.314 1.129 20 0 BDADLO CO[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575111 323198073 /nfs/dbraw/zinc/19/80/73/323198073.db2.gz NCLKXKCTBMSIBP-VIFPVBQESA-N 1 2 208.261 1.094 20 0 BDADLO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ccco2)no1 ZINC000328489091 323273341 /nfs/dbraw/zinc/27/33/41/323273341.db2.gz RVJMQLIYQIEEFL-APPZFPTMSA-N 1 2 235.243 1.379 20 0 BDADLO CC1=C(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000532626836 323282124 /nfs/dbraw/zinc/28/21/24/323282124.db2.gz NFHVQSFKRJUYHH-UHFFFAOYSA-N 1 2 231.299 1.767 20 0 BDADLO CC(C)(NC(=O)[C@]12C[C@H]1CCC2)c1[nH]cc[nH+]1 ZINC000571889054 323498839 /nfs/dbraw/zinc/49/88/39/323498839.db2.gz ZUYCOJNPCPPDJO-NOZJJQNGSA-N 1 2 233.315 1.951 20 0 BDADLO Cc1ccc(/C=C/C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000070979569 323664064 /nfs/dbraw/zinc/66/40/64/323664064.db2.gz PDAPIYJMCUKTIH-AATRIKPKSA-N 1 2 245.282 1.983 20 0 BDADLO CCn1nncc1CNc1cccc[nH+]1 ZINC000528066868 323756876 /nfs/dbraw/zinc/75/68/76/323756876.db2.gz LDQYSPDTKZFNLU-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO CCOC[C@@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000528188937 323775673 /nfs/dbraw/zinc/77/56/73/323775673.db2.gz HIAHBJVCYDXLIG-NSHDSACASA-N 1 2 237.303 1.027 20 0 BDADLO Cc1cc(N)nc(SCc2cnn(C)c2)[nH+]1 ZINC000105735051 323819630 /nfs/dbraw/zinc/81/96/30/323819630.db2.gz KMENMZQTNMKENC-UHFFFAOYSA-N 1 2 235.316 1.393 20 0 BDADLO CN(C)c1[nH+]cccc1CNc1ncc(F)cn1 ZINC000533331871 323885477 /nfs/dbraw/zinc/88/54/77/323885477.db2.gz BKTVDCQMLICGHZ-UHFFFAOYSA-N 1 2 247.277 1.111 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCCF ZINC000119520047 323926302 /nfs/dbraw/zinc/92/63/02/323926302.db2.gz QGHSIIYTHVORIC-UHFFFAOYSA-N 1 2 209.228 1.135 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C(/C)Cl ZINC000528389882 324217760 /nfs/dbraw/zinc/21/77/60/324217760.db2.gz VBNDJHZNRIHFGD-USYJTPIQSA-N 1 2 216.712 1.339 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C(/C)Cl ZINC000528389882 324217762 /nfs/dbraw/zinc/21/77/62/324217762.db2.gz VBNDJHZNRIHFGD-USYJTPIQSA-N 1 2 216.712 1.339 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1[C@H](C2CC2)[C@@H]1C)c1[nH]cc[nH+]1 ZINC000529412921 324289849 /nfs/dbraw/zinc/28/98/49/324289849.db2.gz JYZKHUVYUMOEKW-OEIWMXHLSA-N 1 2 233.315 1.879 20 0 BDADLO C[C@@H](NC(=O)[C@H]1[C@H](C2CC2)[C@@H]1C)c1[nH]cc[nH+]1 ZINC000529412919 324290207 /nfs/dbraw/zinc/29/02/07/324290207.db2.gz JYZKHUVYUMOEKW-GISOBZBCSA-N 1 2 233.315 1.879 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccnn1 ZINC000529461078 324305629 /nfs/dbraw/zinc/30/56/29/324305629.db2.gz YPLHRWNOJXIXKS-VIFPVBQESA-N 1 2 245.286 1.184 20 0 BDADLO O=S1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529528632 324325972 /nfs/dbraw/zinc/32/59/72/324325972.db2.gz HVXRSXMAXCBOGK-UHFFFAOYSA-N 1 2 248.351 1.732 20 0 BDADLO Cc1cc(C[NH+]2CC(Cc3ccco3)C2)nn1C ZINC000529650303 324371805 /nfs/dbraw/zinc/37/18/05/324371805.db2.gz YLIAQJBRGNPZDG-UHFFFAOYSA-N 1 2 245.326 1.996 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(C2CCCC2)C1 ZINC000530305050 324576913 /nfs/dbraw/zinc/57/69/13/324576913.db2.gz IBHGCSOZTIRXSA-UHFFFAOYSA-N 1 2 247.342 1.611 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C2CCC1CC2 ZINC000682450696 487966383 /nfs/dbraw/zinc/96/63/83/487966383.db2.gz UNNJACABWTWYEX-VOMCLLRMSA-N 1 2 245.326 1.599 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CCCOC2)c(C)c[nH+]1 ZINC000541898323 324991469 /nfs/dbraw/zinc/99/14/69/324991469.db2.gz DMBMJTINYYWRFN-AWEZNQCLSA-N 1 2 248.326 1.876 20 0 BDADLO COC1(C(=O)Nc2cc(C)[nH+]cc2C)CCC1 ZINC000541959000 325001457 /nfs/dbraw/zinc/00/14/57/325001457.db2.gz IZLNDMKYSITVFC-UHFFFAOYSA-N 1 2 234.299 1.628 20 0 BDADLO Cc1oncc1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000130050689 325007502 /nfs/dbraw/zinc/00/75/02/325007502.db2.gz XDZNSLSRYZFFNA-VIFPVBQESA-N 1 2 234.303 1.910 20 0 BDADLO Cc1oncc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000130050689 325007506 /nfs/dbraw/zinc/00/75/06/325007506.db2.gz XDZNSLSRYZFFNA-VIFPVBQESA-N 1 2 234.303 1.910 20 0 BDADLO CN1CC[N@H+](CCCc2ccsc2)CC1=O ZINC000542104698 325008867 /nfs/dbraw/zinc/00/88/67/325008867.db2.gz PEEDKUNQYVUYSH-UHFFFAOYSA-N 1 2 238.356 1.455 20 0 BDADLO CN1CC[N@@H+](CCCc2ccsc2)CC1=O ZINC000542104698 325008871 /nfs/dbraw/zinc/00/88/71/325008871.db2.gz PEEDKUNQYVUYSH-UHFFFAOYSA-N 1 2 238.356 1.455 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc2cnccn12)c1ccon1 ZINC000543636574 325099643 /nfs/dbraw/zinc/09/96/43/325099643.db2.gz SVAGSXDZEMGRBX-SECBINFHSA-N 1 2 243.270 1.568 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1CC[C@@H](C)O1 ZINC000232029905 325113704 /nfs/dbraw/zinc/11/37/04/325113704.db2.gz AXEJFJLHZAGWET-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CC[C@@H](C)O1 ZINC000232029905 325113707 /nfs/dbraw/zinc/11/37/07/325113707.db2.gz AXEJFJLHZAGWET-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCc1[nH+]c(C)ccc1OCCOCCO ZINC000232204054 325124872 /nfs/dbraw/zinc/12/48/72/325124872.db2.gz FINIHQLXVMDVFG-UHFFFAOYSA-N 1 2 225.288 1.340 20 0 BDADLO CC[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000544366195 325139214 /nfs/dbraw/zinc/13/92/14/325139214.db2.gz XDPZMQYJJVOAML-VIFPVBQESA-N 1 2 209.293 1.125 20 0 BDADLO COCCCC(=O)Nc1c[nH+]ccc1OC ZINC000131469326 325154114 /nfs/dbraw/zinc/15/41/14/325154114.db2.gz LYPKCGSWSHWLEB-UHFFFAOYSA-N 1 2 224.260 1.455 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000131988087 325194007 /nfs/dbraw/zinc/19/40/07/325194007.db2.gz SDCUXKVHJYIEOR-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000131988087 325194009 /nfs/dbraw/zinc/19/40/09/325194009.db2.gz SDCUXKVHJYIEOR-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1cncc(F)c1 ZINC000545284465 325206833 /nfs/dbraw/zinc/20/68/33/325206833.db2.gz NPKUGUZVIMYKRA-UHFFFAOYSA-N 1 2 234.234 1.135 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCn1cccn1 ZINC000132861283 325250017 /nfs/dbraw/zinc/25/00/17/325250017.db2.gz IKZOLVYUCGYSNY-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO Cc1cc(NC(=O)Cc2ccncc2)cc[nH+]1 ZINC000074725362 325258479 /nfs/dbraw/zinc/25/84/79/325258479.db2.gz IEQPGTIWEPJUEQ-UHFFFAOYSA-N 1 2 227.267 1.966 20 0 BDADLO C(=C\c1ccccc1)\C[N@@H+]1CCn2ncnc2C1 ZINC000546029176 325261007 /nfs/dbraw/zinc/26/10/07/325261007.db2.gz UBFUHUFYXAMQRX-DAXSKMNVSA-N 1 2 240.310 1.807 20 0 BDADLO C(=C\c1ccccc1)\C[N@H+]1CCn2ncnc2C1 ZINC000546029176 325261011 /nfs/dbraw/zinc/26/10/11/325261011.db2.gz UBFUHUFYXAMQRX-DAXSKMNVSA-N 1 2 240.310 1.807 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2=CCCC2)n1 ZINC000546550950 325287121 /nfs/dbraw/zinc/28/71/21/325287121.db2.gz MYOOQGWNEKMDKV-UHFFFAOYSA-N 1 2 230.271 1.961 20 0 BDADLO COC(=O)C1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000547335243 325343367 /nfs/dbraw/zinc/34/33/67/325343367.db2.gz JPWBBLPOHMOWHF-UHFFFAOYSA-N 1 2 248.282 1.012 20 0 BDADLO c1ccc(NCc2nnnn2CC2CC2)[nH+]c1 ZINC000547438991 325354938 /nfs/dbraw/zinc/35/49/38/325354938.db2.gz KOBFBJIVVLCEEA-UHFFFAOYSA-N 1 2 230.275 1.090 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccccc1 ZINC000547540032 325371466 /nfs/dbraw/zinc/37/14/66/325371466.db2.gz SCVZFZOUZXSAKS-UHFFFAOYSA-N 1 2 215.256 1.601 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000548519571 325466014 /nfs/dbraw/zinc/46/60/14/325466014.db2.gz WEECHIFWTLSHPY-AAEUAGOBSA-N 1 2 247.342 1.754 20 0 BDADLO CC1(C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548656705 325471804 /nfs/dbraw/zinc/47/18/04/325471804.db2.gz WAABOIRNDYVWKT-JTQLQIEISA-N 1 2 248.330 1.392 20 0 BDADLO c1ccc(NCCCNc2cccnn2)[nH+]c1 ZINC000548746599 325477061 /nfs/dbraw/zinc/47/70/61/325477061.db2.gz YUSGZDBYLWSGMF-UHFFFAOYSA-N 1 2 229.287 1.208 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083400053 325567315 /nfs/dbraw/zinc/56/73/15/325567315.db2.gz CXDYVPBYPULWKS-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246542413 325571256 /nfs/dbraw/zinc/57/12/56/325571256.db2.gz JXBKHDWEGGYBOT-TUAOUCFPSA-N 1 2 247.342 1.845 20 0 BDADLO Cc1nc(N)c(CNC(=O)c2ccccc2)c[nH+]1 ZINC000552183878 325605882 /nfs/dbraw/zinc/60/58/82/325605882.db2.gz DRABJTDBDMRWOJ-UHFFFAOYSA-N 1 2 242.282 1.128 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OC ZINC000248615439 325614737 /nfs/dbraw/zinc/61/47/37/325614737.db2.gz RKZRYDWEDJFMRU-SDDRHHMPSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@H](C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653577910 487968949 /nfs/dbraw/zinc/96/89/49/487968949.db2.gz MCUSFTGKCPZSCX-VIFPVBQESA-N 1 2 225.340 1.658 20 0 BDADLO CC[C@H](C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653577910 487968951 /nfs/dbraw/zinc/96/89/51/487968951.db2.gz MCUSFTGKCPZSCX-VIFPVBQESA-N 1 2 225.340 1.658 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)O1 ZINC000552558802 325653452 /nfs/dbraw/zinc/65/34/52/325653452.db2.gz JIPZAHPEPPTKHB-OPRDCNLKSA-N 1 2 237.303 1.545 20 0 BDADLO C[C@@H](CC(=O)NC1(C2CC2)CC1)n1cc[nH+]c1 ZINC000564577369 325797246 /nfs/dbraw/zinc/79/72/46/325797246.db2.gz QWCXDFMETZDKQX-JTQLQIEISA-N 1 2 233.315 1.893 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCCCC(=O)C1 ZINC000564888619 325823321 /nfs/dbraw/zinc/82/33/21/325823321.db2.gz LFWASPATSKCRPE-JTQLQIEISA-N 1 2 249.314 1.565 20 0 BDADLO C[C@@H](CC(=O)NC1CC(C)C1)n1cc[nH+]c1 ZINC000565073037 325853750 /nfs/dbraw/zinc/85/37/50/325853750.db2.gz BZTFPNAXEHIOCO-YVNMAJEFSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@@H](C(=O)N1[C@H](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000565184784 325870648 /nfs/dbraw/zinc/87/06/48/325870648.db2.gz CTHQKZJYUZUVSD-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)ncn1 ZINC000566185340 326008824 /nfs/dbraw/zinc/00/88/24/326008824.db2.gz CJYCTNIVMSPCTP-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)ncn1 ZINC000566185340 326008827 /nfs/dbraw/zinc/00/88/27/326008827.db2.gz CJYCTNIVMSPCTP-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CC/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566309501 326032304 /nfs/dbraw/zinc/03/23/04/326032304.db2.gz ZROAVWPMGZBTJI-SGUJLRQBSA-N 1 2 221.304 1.917 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cn(C)cn2)[nH+]1 ZINC000566364586 326037313 /nfs/dbraw/zinc/03/73/13/326037313.db2.gz VNRIZEHURHZIDM-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CSCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566443917 326048109 /nfs/dbraw/zinc/04/81/09/326048109.db2.gz DZVMFSJPGHWYDU-VIFPVBQESA-N 1 2 241.360 1.458 20 0 BDADLO CSCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566443917 326048111 /nfs/dbraw/zinc/04/81/11/326048111.db2.gz DZVMFSJPGHWYDU-VIFPVBQESA-N 1 2 241.360 1.458 20 0 BDADLO C[C@@H](NC(=O)[C@@]12C[C@@H]1CCC2)c1[nH]cc[nH+]1 ZINC000566472210 326053142 /nfs/dbraw/zinc/05/31/42/326053142.db2.gz BWSUACKPJCOKKD-PTRXPTGYSA-N 1 2 219.288 1.777 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCn3nncc3C2)O1 ZINC000566687979 326074685 /nfs/dbraw/zinc/07/46/85/326074685.db2.gz UMPZSRXUCYIMQY-LLVKDONJSA-N 1 2 236.319 1.051 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCn3nncc3C2)O1 ZINC000566687979 326074687 /nfs/dbraw/zinc/07/46/87/326074687.db2.gz UMPZSRXUCYIMQY-LLVKDONJSA-N 1 2 236.319 1.051 20 0 BDADLO CCOC(=O)[C@H](C)CNc1nc(C)[nH+]cc1C ZINC000566985617 326099984 /nfs/dbraw/zinc/09/99/84/326099984.db2.gz QXVIIIUQJGMBSO-SECBINFHSA-N 1 2 237.303 1.126 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)O1 ZINC000567123056 326120174 /nfs/dbraw/zinc/12/01/74/326120174.db2.gz YRHIHJGNUWHONM-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000154991279 326178023 /nfs/dbraw/zinc/17/80/23/326178023.db2.gz RMGWEEAHHVLYIQ-UHFFFAOYSA-N 1 2 238.335 1.390 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000154991279 326178020 /nfs/dbraw/zinc/17/80/20/326178020.db2.gz RMGWEEAHHVLYIQ-UHFFFAOYSA-N 1 2 238.335 1.390 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NC2CCCC2)[C@@H]1C ZINC000156103503 326218764 /nfs/dbraw/zinc/21/87/64/326218764.db2.gz MAGMXOALMAPADU-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO COC(=O)c1ccc(C[NH2+]CC(C)(F)F)[nH]1 ZINC000567931735 326284954 /nfs/dbraw/zinc/28/49/54/326284954.db2.gz SVXAQTOCCPYVJH-UHFFFAOYSA-N 1 2 232.230 1.546 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000567978262 326290245 /nfs/dbraw/zinc/29/02/45/326290245.db2.gz TWWMBBWMTZAZID-NWDGAFQWSA-N 1 2 246.314 1.207 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC000568016522 326296254 /nfs/dbraw/zinc/29/62/54/326296254.db2.gz FRAXARGGSGGLFP-MNOVXSKESA-N 1 2 221.304 1.703 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@H](C)C1)n1cc[nH+]c1 ZINC000568016523 326296338 /nfs/dbraw/zinc/29/63/38/326296338.db2.gz FRAXARGGSGGLFP-QWRGUYRKSA-N 1 2 221.304 1.703 20 0 BDADLO CCN(CCOC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568186885 326323225 /nfs/dbraw/zinc/32/32/25/326323225.db2.gz OEUMDDWLUCZLHY-JTQLQIEISA-N 1 2 239.319 1.083 20 0 BDADLO CCN(CCOC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568186885 326323227 /nfs/dbraw/zinc/32/32/27/326323227.db2.gz OEUMDDWLUCZLHY-JTQLQIEISA-N 1 2 239.319 1.083 20 0 BDADLO Cc1ncc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000568190696 326323890 /nfs/dbraw/zinc/32/38/90/326323890.db2.gz MASGSNIPWRTZLZ-QMMMGPOBSA-N 1 2 245.286 1.325 20 0 BDADLO Cc1ncc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000568190696 326323893 /nfs/dbraw/zinc/32/38/93/326323893.db2.gz MASGSNIPWRTZLZ-QMMMGPOBSA-N 1 2 245.286 1.325 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C=CCCC1 ZINC000568198152 326324737 /nfs/dbraw/zinc/32/47/37/326324737.db2.gz UZHNASVVSLGJOO-GHMZBOCLSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C=CCCC1 ZINC000568198152 326324739 /nfs/dbraw/zinc/32/47/39/326324739.db2.gz UZHNASVVSLGJOO-GHMZBOCLSA-N 1 2 233.315 1.813 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCCC(C)=O ZINC000568230360 326330204 /nfs/dbraw/zinc/33/02/04/326330204.db2.gz XSWSYKKFYPLBCF-UHFFFAOYSA-N 1 2 237.303 1.279 20 0 BDADLO Cc1cc(CNC(=O)NCCCF)cc(C)[nH+]1 ZINC000568246908 326333819 /nfs/dbraw/zinc/33/38/19/326333819.db2.gz BSXVFSWDOXRYPI-UHFFFAOYSA-N 1 2 239.294 1.857 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCCC[C@H]1F ZINC000568248430 326334257 /nfs/dbraw/zinc/33/42/57/326334257.db2.gz QEFKBXNXQLUOMU-HTQZYQBOSA-N 1 2 240.282 1.760 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCCC[C@H]1F ZINC000568248430 326334259 /nfs/dbraw/zinc/33/42/59/326334259.db2.gz QEFKBXNXQLUOMU-HTQZYQBOSA-N 1 2 240.282 1.760 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)nn1C)C1CC1 ZINC000568388566 326352758 /nfs/dbraw/zinc/35/27/58/326352758.db2.gz GNKIVKLKKIACCZ-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)nn1C)C1CC1 ZINC000568388566 326352760 /nfs/dbraw/zinc/35/27/60/326352760.db2.gz GNKIVKLKKIACCZ-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO CN1CCC[C@H]([NH+]2CC(C(F)(F)F)C2)C1=O ZINC000568473977 326358333 /nfs/dbraw/zinc/35/83/33/326358333.db2.gz JQLWYGZNTFCYOX-QMMMGPOBSA-N 1 2 236.237 1.101 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000568680492 326372262 /nfs/dbraw/zinc/37/22/62/326372262.db2.gz JNXWLUFGGBNBGR-NXEZZACHSA-N 1 2 221.304 1.362 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000568940695 326382850 /nfs/dbraw/zinc/38/28/50/326382850.db2.gz BSAPVUPGCBEFEH-SNVBAGLBSA-N 1 2 209.293 1.386 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ncccn1 ZINC000569141344 326392923 /nfs/dbraw/zinc/39/29/23/326392923.db2.gz XGAOPMOCFJELOX-UHFFFAOYSA-N 1 2 245.330 1.787 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)NCCn1cc[nH+]c1 ZINC000159292837 326394774 /nfs/dbraw/zinc/39/47/74/326394774.db2.gz ALFZMJVSDHQIAX-PHIMTYICSA-N 1 2 236.319 1.466 20 0 BDADLO COC[C@@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000572925858 326419117 /nfs/dbraw/zinc/41/91/17/326419117.db2.gz XWFBFZCELKVCPA-GFCCVEGCSA-N 1 2 235.331 1.956 20 0 BDADLO C[C@H](NC(=O)N(C)C1CCC1)c1[nH+]ccn1C ZINC000667254427 487975422 /nfs/dbraw/zinc/97/54/22/487975422.db2.gz RAHVLSAORYQOQM-VIFPVBQESA-N 1 2 236.319 1.675 20 0 BDADLO CC[C@H](C)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667256809 487975915 /nfs/dbraw/zinc/97/59/15/487975915.db2.gz UVMWMMMWNARGCY-UWVGGRQHSA-N 1 2 238.335 1.921 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccsc1 ZINC000083971038 487976546 /nfs/dbraw/zinc/97/65/46/487976546.db2.gz IFQBTPMVFJJICN-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO O[C@H]1C[N@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC000682548820 487986838 /nfs/dbraw/zinc/98/68/38/487986838.db2.gz QVIILXTYWWKXHH-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC000682548820 487986844 /nfs/dbraw/zinc/98/68/44/487986844.db2.gz QVIILXTYWWKXHH-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO CCC(CC)Nc1[nH+]cnc2c1OCCN2 ZINC000665688664 487987677 /nfs/dbraw/zinc/98/76/77/487987677.db2.gz OWTOLMZHRYYXAC-UHFFFAOYSA-N 1 2 222.292 1.881 20 0 BDADLO CCC(CC)Nc1nc[nH+]c2c1OCCN2 ZINC000665688664 487987655 /nfs/dbraw/zinc/98/76/55/487987655.db2.gz OWTOLMZHRYYXAC-UHFFFAOYSA-N 1 2 222.292 1.881 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000685004936 487989942 /nfs/dbraw/zinc/98/99/42/487989942.db2.gz WWEGNTZDXIQZCI-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000685004936 487989945 /nfs/dbraw/zinc/98/99/45/487989945.db2.gz WWEGNTZDXIQZCI-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CCC2(CC2)CC1 ZINC000668604924 487998368 /nfs/dbraw/zinc/99/83/68/487998368.db2.gz XDOYIWJDLCDZTR-UHFFFAOYSA-N 1 2 233.315 1.996 20 0 BDADLO CO[C@@H](C(=O)N1CCn2cc[nH+]c2C1)C1CCC1 ZINC000668605184 487998568 /nfs/dbraw/zinc/99/85/68/487998568.db2.gz FUDRBBQCEDGEEF-GFCCVEGCSA-N 1 2 249.314 1.040 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC(F)(F)F ZINC000134887233 488004312 /nfs/dbraw/zinc/00/43/12/488004312.db2.gz RXOCNAHDBOBTLY-UHFFFAOYSA-N 1 2 236.197 1.432 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC(F)(F)F ZINC000134887233 488004316 /nfs/dbraw/zinc/00/43/16/488004316.db2.gz RXOCNAHDBOBTLY-UHFFFAOYSA-N 1 2 236.197 1.432 20 0 BDADLO CSC[C@@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000493824126 533714413 /nfs/dbraw/zinc/71/44/13/533714413.db2.gz SPVYLXMRGCTGSB-JTQLQIEISA-N 1 2 246.401 1.607 20 0 BDADLO CSC[C@@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000493824126 533714420 /nfs/dbraw/zinc/71/44/20/533714420.db2.gz SPVYLXMRGCTGSB-JTQLQIEISA-N 1 2 246.401 1.607 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668622929 488023421 /nfs/dbraw/zinc/02/34/21/488023421.db2.gz GVQKRYLKEMGNTE-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668622929 488023425 /nfs/dbraw/zinc/02/34/25/488023425.db2.gz GVQKRYLKEMGNTE-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000667493849 488027192 /nfs/dbraw/zinc/02/71/92/488027192.db2.gz FQZVJTSSQXOUDB-GFCCVEGCSA-N 1 2 235.331 1.440 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)CCCF ZINC000669147139 488030953 /nfs/dbraw/zinc/03/09/53/488030953.db2.gz MANIFZZESWBHEI-UHFFFAOYSA-N 1 2 241.310 1.905 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc[nH+]1 ZINC000668635308 488033981 /nfs/dbraw/zinc/03/39/81/488033981.db2.gz JKWYGYCPQJZUGL-VXGBXAGGSA-N 1 2 248.326 1.954 20 0 BDADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000682768313 488035481 /nfs/dbraw/zinc/03/54/81/488035481.db2.gz XCUCSAMENOBIKS-ZDUSSCGKSA-N 1 2 249.358 1.709 20 0 BDADLO O[C@@H](CC1CCCC1)C[N@H+]1CCc2cn[nH]c2C1 ZINC000682768313 488035485 /nfs/dbraw/zinc/03/54/85/488035485.db2.gz XCUCSAMENOBIKS-ZDUSSCGKSA-N 1 2 249.358 1.709 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C)nn2C)on1 ZINC000084244307 488039570 /nfs/dbraw/zinc/03/95/70/488039570.db2.gz UZWBSICLPKBILR-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO C[C@@H](O)CC[N@H+](C)CC(=O)c1ccccc1F ZINC000135577864 488043000 /nfs/dbraw/zinc/04/30/00/488043000.db2.gz XDFDPMSAAZHYMG-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)CC(=O)c1ccccc1F ZINC000135577864 488043004 /nfs/dbraw/zinc/04/30/04/488043004.db2.gz XDFDPMSAAZHYMG-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO C[N@H+](Cc1cn(C2CCC2)nn1)[C@@H]1CCOC1 ZINC000667597363 488056388 /nfs/dbraw/zinc/05/63/88/488056388.db2.gz KRZMFGAQANLXMG-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO C[N@@H+](Cc1cn(C2CCC2)nn1)[C@@H]1CCOC1 ZINC000667597363 488056391 /nfs/dbraw/zinc/05/63/91/488056391.db2.gz KRZMFGAQANLXMG-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078525 488061036 /nfs/dbraw/zinc/06/10/36/488061036.db2.gz CSZZSAQBBDRQHS-UWVGGRQHSA-N 1 2 248.330 1.347 20 0 BDADLO C[C@@H]1OCCN(Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667638812 488064811 /nfs/dbraw/zinc/06/48/11/488064811.db2.gz AKYMMFWSGUULJO-QWRGUYRKSA-N 1 2 235.331 1.439 20 0 BDADLO O=S(=O)(CC1CCCC1)NCc1[nH]cc[nH+]1 ZINC000677600505 488082669 /nfs/dbraw/zinc/08/26/69/488082669.db2.gz HJCBRCJHZKTVPA-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO Cc1ccnc(C[N@H+](C)CC(=O)N2CCCC2)c1 ZINC000683001720 488083614 /nfs/dbraw/zinc/08/36/14/488083614.db2.gz VGHRFYQNDDODTE-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CC(=O)N2CCCC2)c1 ZINC000683001720 488083620 /nfs/dbraw/zinc/08/36/20/488083620.db2.gz VGHRFYQNDDODTE-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CN(Cc1ccc[nH]1)Cc1c[nH+]c2n1CCC2 ZINC000667687346 488085980 /nfs/dbraw/zinc/08/59/80/488085980.db2.gz JUTMHBROILZHSM-UHFFFAOYSA-N 1 2 230.315 1.789 20 0 BDADLO CCc1cc(NC[C@](C)(O)C(F)(F)F)nc[nH+]1 ZINC000677651455 488089169 /nfs/dbraw/zinc/08/91/69/488089169.db2.gz ARPYBHNKHKOBIY-VIFPVBQESA-N 1 2 249.236 1.764 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000683009229 488089180 /nfs/dbraw/zinc/08/91/80/488089180.db2.gz HMDVFSLVRSMHTP-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1ccnc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000683009229 488089183 /nfs/dbraw/zinc/08/91/83/488089183.db2.gz HMDVFSLVRSMHTP-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678359976 488108188 /nfs/dbraw/zinc/10/81/88/488108188.db2.gz KWTZHSODFFJAGO-GXSJLCMTSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678359981 488108199 /nfs/dbraw/zinc/10/81/99/488108199.db2.gz KWTZHSODFFJAGO-KOLCDFICSA-N 1 2 245.282 1.698 20 0 BDADLO Cn1cc[nH+]c1CN1CC2(C1)CC(F)(F)C2 ZINC000677732009 488110203 /nfs/dbraw/zinc/11/02/03/488110203.db2.gz LEYDQNNVGIDCOT-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO CCCCNC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677733634 488111843 /nfs/dbraw/zinc/11/18/43/488111843.db2.gz NPNBVRBVFSVXPG-UHFFFAOYSA-N 1 2 246.301 1.634 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734948 488112874 /nfs/dbraw/zinc/11/28/74/488112874.db2.gz WSCHADZWCAPTMU-QMMMGPOBSA-N 1 2 244.285 1.385 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc(C)o2)n(C)n1 ZINC000231652513 488115371 /nfs/dbraw/zinc/11/53/71/488115371.db2.gz NWENSXNLCUDMRN-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO O=C1CCCN1CCC[N@H+]1CCC[C@H]1C(F)F ZINC000677738106 488116822 /nfs/dbraw/zinc/11/68/22/488116822.db2.gz BTJLEVRTDVDSLG-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO O=C1CCCN1CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000677738106 488116833 /nfs/dbraw/zinc/11/68/33/488116833.db2.gz BTJLEVRTDVDSLG-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662041762 488119300 /nfs/dbraw/zinc/11/93/00/488119300.db2.gz WGYAWFZINYAVPA-WDEREUQCSA-N 1 2 249.314 1.415 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662041762 488119307 /nfs/dbraw/zinc/11/93/07/488119307.db2.gz WGYAWFZINYAVPA-WDEREUQCSA-N 1 2 249.314 1.415 20 0 BDADLO CCC[C@H](C)S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000683186893 488125226 /nfs/dbraw/zinc/12/52/26/488125226.db2.gz VKADLPQUSUWOBS-NSHDSACASA-N 1 2 248.392 1.142 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@@H](O)C2CC2)s1 ZINC000680061729 487530153 /nfs/dbraw/zinc/53/01/53/487530153.db2.gz ULZXMIJTOYFIOC-SECBINFHSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@@H](O)C2CC2)s1 ZINC000680061729 487530156 /nfs/dbraw/zinc/53/01/56/487530156.db2.gz ULZXMIJTOYFIOC-SECBINFHSA-N 1 2 241.360 1.303 20 0 BDADLO Cc1nc(C)c(C[NH+]2CCN(C)CC2)o1 ZINC000685561083 487543197 /nfs/dbraw/zinc/54/31/97/487543197.db2.gz IMOLMAQRQORDCB-UHFFFAOYSA-N 1 2 209.293 1.039 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)o1 ZINC000668792263 487545202 /nfs/dbraw/zinc/54/52/02/487545202.db2.gz RGVWUBAPIHFEAO-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)o1 ZINC000668792263 487545209 /nfs/dbraw/zinc/54/52/09/487545209.db2.gz RGVWUBAPIHFEAO-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccoc2)c1 ZINC000680256199 487553691 /nfs/dbraw/zinc/55/36/91/487553691.db2.gz FXGITCMBMUOQFP-UHFFFAOYSA-N 1 2 231.255 1.993 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000674302978 487556859 /nfs/dbraw/zinc/55/68/59/487556859.db2.gz RZKMSAHDQDPMRA-RKDXNWHRSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000674302978 487556866 /nfs/dbraw/zinc/55/68/66/487556866.db2.gz RZKMSAHDQDPMRA-RKDXNWHRSA-N 1 2 239.237 1.429 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000679852945 487473225 /nfs/dbraw/zinc/47/32/25/487473225.db2.gz UHFQTMUAXPJKKE-IWSPIJDZSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000679852945 487473227 /nfs/dbraw/zinc/47/32/27/487473227.db2.gz UHFQTMUAXPJKKE-IWSPIJDZSA-N 1 2 241.253 1.673 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccn(C)c1)CC2 ZINC000679893858 487482826 /nfs/dbraw/zinc/48/28/26/487482826.db2.gz IXQJOKJJTKFITD-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CC2 ZINC000679894452 487482938 /nfs/dbraw/zinc/48/29/38/487482938.db2.gz ADBUVLFMDXYDCU-NWDGAFQWSA-N 1 2 245.326 1.580 20 0 BDADLO CCN(CC)c1cc(-n2cc[nH+]c2)ncn1 ZINC000673932742 487484482 /nfs/dbraw/zinc/48/44/82/487484482.db2.gz FFGCBOSISITENN-UHFFFAOYSA-N 1 2 217.276 1.509 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1nccs1)CC2 ZINC000679869471 487477928 /nfs/dbraw/zinc/47/79/28/487477928.db2.gz YDWNRCPVDNNVAE-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CCc1noc(CN2CCn3cc(C)[nH+]c3C2)n1 ZINC000679873234 487478796 /nfs/dbraw/zinc/47/87/96/487478796.db2.gz VTSRAASOWSMNMH-UHFFFAOYSA-N 1 2 247.302 1.153 20 0 BDADLO C[C@@](O)(C[N@@H+]1CCc2c[nH]nc2C1)C(F)(F)F ZINC000685004051 487491456 /nfs/dbraw/zinc/49/14/56/487491456.db2.gz YPUDWUUOLKGUOG-SECBINFHSA-N 1 2 249.236 1.081 20 0 BDADLO C[C@@](O)(C[N@H+]1CCc2c[nH]nc2C1)C(F)(F)F ZINC000685004051 487491459 /nfs/dbraw/zinc/49/14/59/487491459.db2.gz YPUDWUUOLKGUOG-SECBINFHSA-N 1 2 249.236 1.081 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000674008372 487498584 /nfs/dbraw/zinc/49/85/84/487498584.db2.gz DPHQRWWKQJSXDE-NSHDSACASA-N 1 2 245.326 1.449 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000674008372 487498589 /nfs/dbraw/zinc/49/85/89/487498589.db2.gz DPHQRWWKQJSXDE-NSHDSACASA-N 1 2 245.326 1.449 20 0 BDADLO CCN(CC(C)(C)O)c1cc(CO)cc[nH+]1 ZINC000086274558 487496195 /nfs/dbraw/zinc/49/61/95/487496195.db2.gz BAXGFTXNFMRAEY-UHFFFAOYSA-N 1 2 224.304 1.171 20 0 BDADLO Cc1cnc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000677802843 487497755 /nfs/dbraw/zinc/49/77/55/487497755.db2.gz ULLAAKLEKUZTSG-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669297274 487503639 /nfs/dbraw/zinc/50/36/39/487503639.db2.gz UBKBDYOHUAYYAS-SECBINFHSA-N 1 2 244.298 1.159 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669297274 487503643 /nfs/dbraw/zinc/50/36/43/487503643.db2.gz UBKBDYOHUAYYAS-SECBINFHSA-N 1 2 244.298 1.159 20 0 BDADLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@@H]1C[C@H]1C ZINC000666120225 487503826 /nfs/dbraw/zinc/50/38/26/487503826.db2.gz LSWYWYFCDWZBHL-NQBHXWOUSA-N 1 2 249.358 1.967 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC(OC(F)F)C1 ZINC000668233245 487505614 /nfs/dbraw/zinc/50/56/14/487505614.db2.gz SIAQRYWJVFLIEN-UHFFFAOYSA-N 1 2 245.273 1.887 20 0 BDADLO O=C(CCC1CCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152879 487512583 /nfs/dbraw/zinc/51/25/83/487512583.db2.gz NUDSIRLDQFYKID-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC(C)(CO)C1 ZINC000668233786 487507705 /nfs/dbraw/zinc/50/77/05/487507705.db2.gz MNONRGXVOHVFHH-UHFFFAOYSA-N 1 2 223.320 1.278 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000685420722 487519807 /nfs/dbraw/zinc/51/98/07/487519807.db2.gz JMUJDAKPEXYFGV-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCc2c[nH]nc2C1 ZINC000685420722 487519810 /nfs/dbraw/zinc/51/98/10/487519810.db2.gz JMUJDAKPEXYFGV-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000685420722 487519812 /nfs/dbraw/zinc/51/98/12/487519812.db2.gz JMUJDAKPEXYFGV-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCc2cn[nH]c2C1 ZINC000685420722 487519816 /nfs/dbraw/zinc/51/98/16/487519816.db2.gz JMUJDAKPEXYFGV-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)C1CCCC1 ZINC000674092409 487518356 /nfs/dbraw/zinc/51/83/56/487518356.db2.gz LXWLOJYYNRVDQD-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ocnc1C1CC1 ZINC000685436221 487522447 /nfs/dbraw/zinc/52/24/47/487522447.db2.gz NBNAVNKARXBXJQ-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ocnc1C1CC1 ZINC000685436221 487522449 /nfs/dbraw/zinc/52/24/49/487522449.db2.gz NBNAVNKARXBXJQ-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)CC(F)(F)F ZINC000670983257 487535395 /nfs/dbraw/zinc/53/53/95/487535395.db2.gz ZJAJCEYEKAMUJF-ZETCQYMHSA-N 1 2 237.225 1.155 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)CC(F)(F)F ZINC000670983257 487535405 /nfs/dbraw/zinc/53/54/05/487535405.db2.gz ZJAJCEYEKAMUJF-ZETCQYMHSA-N 1 2 237.225 1.155 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)CC1CCCC1 ZINC000670983173 487535745 /nfs/dbraw/zinc/53/57/45/487535745.db2.gz PQURRQDZCAMUIT-LBPRGKRZSA-N 1 2 237.347 1.783 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)CC1CCCC1 ZINC000670983173 487535752 /nfs/dbraw/zinc/53/57/52/487535752.db2.gz PQURRQDZCAMUIT-LBPRGKRZSA-N 1 2 237.347 1.783 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cn2cccnc2n1 ZINC000674752923 487609410 /nfs/dbraw/zinc/60/94/10/487609410.db2.gz MTKCXHXGWLKLQW-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cn2cccnc2n1 ZINC000674752923 487609413 /nfs/dbraw/zinc/60/94/13/487609413.db2.gz MTKCXHXGWLKLQW-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO c1cc2n(n1)C[C@@H](CNc1cccc[nH+]1)CN2 ZINC000675050098 487665919 /nfs/dbraw/zinc/66/59/19/487665919.db2.gz YKZKNGHPBOOVTC-JTQLQIEISA-N 1 2 229.287 1.432 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)cs1 ZINC000671655252 487673941 /nfs/dbraw/zinc/67/39/41/487673941.db2.gz KVFJEONFYUWHHP-UHFFFAOYSA-N 1 2 235.312 1.683 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681357641 487783677 /nfs/dbraw/zinc/78/36/77/487783677.db2.gz FGUQKYWNKAAUQV-IUCAKERBSA-N 1 2 219.288 1.164 20 0 BDADLO CC1(C)SC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000283513314 487915503 /nfs/dbraw/zinc/91/55/03/487915503.db2.gz ZRQKGRPBBIMTKM-SECBINFHSA-N 1 2 239.344 1.353 20 0 BDADLO CC1(C)SC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000283513314 487915508 /nfs/dbraw/zinc/91/55/08/487915508.db2.gz ZRQKGRPBBIMTKM-SECBINFHSA-N 1 2 239.344 1.353 20 0 BDADLO c1cn(-c2cc(N3CCC[C@H]4C[C@H]43)ncn2)c[nH+]1 ZINC000672323615 487916073 /nfs/dbraw/zinc/91/60/73/487916073.db2.gz MTCWXCISNSIESF-WDEREUQCSA-N 1 2 241.298 1.651 20 0 BDADLO Cc1nc(N2CCC[C@H]3C[C@H]32)nc(N(C)C)[nH+]1 ZINC000672323994 487921228 /nfs/dbraw/zinc/92/12/28/487921228.db2.gz ZAZFKNUWWRJYKR-VHSXEESVSA-N 1 2 233.319 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H]3C[C@H]32)[nH+]1 ZINC000672323994 487921235 /nfs/dbraw/zinc/92/12/35/487921235.db2.gz ZAZFKNUWWRJYKR-VHSXEESVSA-N 1 2 233.319 1.235 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnn2c1CCC2 ZINC000667639910 488065381 /nfs/dbraw/zinc/06/53/81/488065381.db2.gz FRXUBACEHYLHOM-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnn2c1CCC2 ZINC000667639910 488065384 /nfs/dbraw/zinc/06/53/84/488065384.db2.gz FRXUBACEHYLHOM-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnco1 ZINC000677549446 488070158 /nfs/dbraw/zinc/07/01/58/488070158.db2.gz UKSLBAJHKUXPAU-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000683001990 488083817 /nfs/dbraw/zinc/08/38/17/488083817.db2.gz UHSSAYRIVLNEQE-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000683001990 488083822 /nfs/dbraw/zinc/08/38/22/488083822.db2.gz UHSSAYRIVLNEQE-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO c1cn([C@H]2CCCN(Cc3ncccn3)C2)c[nH+]1 ZINC000683006914 488088163 /nfs/dbraw/zinc/08/81/63/488088163.db2.gz LXHDVZZIXNISHU-LBPRGKRZSA-N 1 2 243.314 1.510 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667870798 488143587 /nfs/dbraw/zinc/14/35/87/488143587.db2.gz DZOLQMQYGOCSPY-NWDGAFQWSA-N 1 2 221.304 1.375 20 0 BDADLO Cc1ccnc(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000294418705 488150377 /nfs/dbraw/zinc/15/03/77/488150377.db2.gz ZGCXSQYERUBEGA-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1ccnc(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000294418705 488150382 /nfs/dbraw/zinc/15/03/82/488150382.db2.gz ZGCXSQYERUBEGA-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cccn2c(NC(=O)N(C)CCO)c[nH+]c12 ZINC000667950824 488167162 /nfs/dbraw/zinc/16/71/62/488167162.db2.gz QAYWNBJYFPNJFS-UHFFFAOYSA-N 1 2 248.286 1.099 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CCC(C)C ZINC000134839638 488168716 /nfs/dbraw/zinc/16/87/16/488168716.db2.gz IDVWBKZFQHLUIB-UHFFFAOYSA-N 1 2 224.308 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CCC(C)C ZINC000134839638 488168719 /nfs/dbraw/zinc/16/87/19/488168719.db2.gz IDVWBKZFQHLUIB-UHFFFAOYSA-N 1 2 224.308 1.550 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150116 488170092 /nfs/dbraw/zinc/17/00/92/488170092.db2.gz GGKJXVCKVCDLNU-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1[nH+]cc(CN2CCOCC3(CC3)C2)n1C ZINC000667966260 488170573 /nfs/dbraw/zinc/17/05/73/488170573.db2.gz CEDHQIGQZWUJNN-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](C)c1nccn1C ZINC000397918990 488170926 /nfs/dbraw/zinc/17/09/26/488170926.db2.gz OUQYLNDTKAYBEL-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO C=C/C(C)=C/CC(=O)NCc1[nH]c[nH+]c1C ZINC000670418406 488184435 /nfs/dbraw/zinc/18/44/35/488184435.db2.gz MGEQKWNBWIQKTO-WEVVVXLNSA-N 1 2 219.288 1.857 20 0 BDADLO c1n[nH]cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000678120887 488199744 /nfs/dbraw/zinc/19/97/44/488199744.db2.gz KAZGHMFTGFDZNN-UHFFFAOYSA-N 1 2 243.314 1.127 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@H](F)C1 ZINC000668213516 488227691 /nfs/dbraw/zinc/22/76/91/488227691.db2.gz CYPLFHVTEHMWMY-JTQLQIEISA-N 1 2 223.295 1.841 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@H+]1CC[C@H](F)C1 ZINC000668213516 488227694 /nfs/dbraw/zinc/22/76/94/488227694.db2.gz CYPLFHVTEHMWMY-JTQLQIEISA-N 1 2 223.295 1.841 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000683888291 488236992 /nfs/dbraw/zinc/23/69/92/488236992.db2.gz NWBVHNIHGWKDDY-MEWQQHAOSA-N 1 2 245.326 1.360 20 0 BDADLO COc1cccc(C[NH+]2CC(C(F)F)C2)n1 ZINC000683895456 488238382 /nfs/dbraw/zinc/23/83/82/488238382.db2.gz DOFAUOOBXZJQEQ-UHFFFAOYSA-N 1 2 228.242 1.787 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000683896913 488238997 /nfs/dbraw/zinc/23/89/97/488238997.db2.gz CPVWDBNUPJCXHV-DTORHVGOSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000683896913 488238999 /nfs/dbraw/zinc/23/89/99/488238999.db2.gz CPVWDBNUPJCXHV-DTORHVGOSA-N 1 2 224.304 1.901 20 0 BDADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000683897292 488239660 /nfs/dbraw/zinc/23/96/60/488239660.db2.gz XLCSQKDMKWWNMI-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@H](C)O1 ZINC000683897292 488239661 /nfs/dbraw/zinc/23/96/61/488239661.db2.gz XLCSQKDMKWWNMI-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@H](C)O1 ZINC000683897292 488239663 /nfs/dbraw/zinc/23/96/63/488239663.db2.gz XLCSQKDMKWWNMI-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153139 488241504 /nfs/dbraw/zinc/24/15/04/488241504.db2.gz RXCMXZIMBJGHGT-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672149230 488241528 /nfs/dbraw/zinc/24/15/28/488241528.db2.gz JHNCEABQSBSPKR-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO CC(F)(F)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672151422 488241707 /nfs/dbraw/zinc/24/17/07/488241707.db2.gz RYUFPAKPYOQHTK-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672156520 488242395 /nfs/dbraw/zinc/24/23/95/488242395.db2.gz MRZHKHJSFLHPOM-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672157092 488242764 /nfs/dbraw/zinc/24/27/64/488242764.db2.gz YYTXDURUPZULND-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO c1cn(-c2cc(N3CCC4(CC4)C3)ncn2)c[nH+]1 ZINC000672275148 488249475 /nfs/dbraw/zinc/24/94/75/488249475.db2.gz HTAGGAIOZQHXOO-UHFFFAOYSA-N 1 2 241.298 1.653 20 0 BDADLO COc1ccc(N[C@@H]2CCC(=O)NC2(C)C)[nH+]c1 ZINC000672277900 488249918 /nfs/dbraw/zinc/24/99/18/488249918.db2.gz JOVDDCMUZGCCCU-SNVBAGLBSA-N 1 2 249.314 1.559 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)CCOC(C)(C)C ZINC000672546946 488259129 /nfs/dbraw/zinc/25/91/29/488259129.db2.gz UZUZIUIGXRHDDG-SNVBAGLBSA-N 1 2 240.351 1.623 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)CCOC(C)(C)C ZINC000672546946 488259130 /nfs/dbraw/zinc/25/91/30/488259130.db2.gz UZUZIUIGXRHDDG-SNVBAGLBSA-N 1 2 240.351 1.623 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C1(COC)CC1 ZINC000684094371 488266245 /nfs/dbraw/zinc/26/62/45/488266245.db2.gz PLVKRTABMRCYRU-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C1(COC)CC1 ZINC000684094371 488266248 /nfs/dbraw/zinc/26/62/48/488266248.db2.gz PLVKRTABMRCYRU-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCCOC[C@H]1C ZINC000684096183 488266855 /nfs/dbraw/zinc/26/68/55/488266855.db2.gz SAVHDXYNWKSKPR-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc[nH]c1=O ZINC000672819483 488267145 /nfs/dbraw/zinc/26/71/45/488267145.db2.gz MXKBHDURISZIEC-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccoc1 ZINC000678592178 488269469 /nfs/dbraw/zinc/26/94/69/488269469.db2.gz ACNBFBKHDYDAMB-QMMMGPOBSA-N 1 2 233.275 1.452 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cnn(C)c1C ZINC000684148704 488269824 /nfs/dbraw/zinc/26/98/24/488269824.db2.gz PPRFVDCXHFTQNP-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000684148704 488269825 /nfs/dbraw/zinc/26/98/25/488269825.db2.gz PPRFVDCXHFTQNP-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000672950650 488270133 /nfs/dbraw/zinc/27/01/33/488270133.db2.gz MXCSHALSDYSXOQ-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO CC[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000672990882 488270546 /nfs/dbraw/zinc/27/05/46/488270546.db2.gz VHAZVEARYZTWDF-PWSUYJOCSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1O ZINC000684169794 488271639 /nfs/dbraw/zinc/27/16/39/488271639.db2.gz QDWWVADKPZWOHW-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1F ZINC000673057427 488272554 /nfs/dbraw/zinc/27/25/54/488272554.db2.gz YWHQQZUGKRKOLH-UWVGGRQHSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1F ZINC000673057377 488272715 /nfs/dbraw/zinc/27/27/15/488272715.db2.gz QQKPQTRMYBTCFN-ONGXEEELSA-N 1 2 239.294 1.169 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000673291834 488280927 /nfs/dbraw/zinc/28/09/27/488280927.db2.gz YVPPDGIHBUAAIA-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCC(C)C ZINC000678802585 488283223 /nfs/dbraw/zinc/28/32/23/488283223.db2.gz BONUYVMGKGNPNA-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCC(C)C ZINC000678802585 488283227 /nfs/dbraw/zinc/28/32/27/488283227.db2.gz BONUYVMGKGNPNA-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO COC[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000678787695 488283258 /nfs/dbraw/zinc/28/32/58/488283258.db2.gz WOSIKQZCIRGYNC-VIFPVBQESA-N 1 2 226.251 1.072 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1Nc1cc[nH+]cc1F ZINC000678788075 488283288 /nfs/dbraw/zinc/28/32/88/488283288.db2.gz DJMGNKRFQUTJIY-KBPBESRZSA-N 1 2 244.269 1.713 20 0 BDADLO Cc1n[nH]cc1CCCNc1cc[nH+]cc1F ZINC000678789322 488283872 /nfs/dbraw/zinc/28/38/72/488283872.db2.gz XUVQTMOHFWTWLF-UHFFFAOYSA-N 1 2 234.278 1.719 20 0 BDADLO CCc1cc(NCCNc2ccn(C)n2)nc[nH+]1 ZINC000673451913 488287011 /nfs/dbraw/zinc/28/70/11/488287011.db2.gz UTZUXDKNEXZUTK-UHFFFAOYSA-N 1 2 246.318 1.297 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC=CCC1 ZINC000679321902 488335969 /nfs/dbraw/zinc/33/59/69/488335969.db2.gz NNZUJCBCXGIWTC-SECBINFHSA-N 1 2 237.328 1.732 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC=CCC1 ZINC000679321902 488335972 /nfs/dbraw/zinc/33/59/72/488335972.db2.gz NNZUJCBCXGIWTC-SECBINFHSA-N 1 2 237.328 1.732 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC=CCC1 ZINC000679321903 488336121 /nfs/dbraw/zinc/33/61/21/488336121.db2.gz NNZUJCBCXGIWTC-VIFPVBQESA-N 1 2 237.328 1.732 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC=CCC1 ZINC000679321903 488336123 /nfs/dbraw/zinc/33/61/23/488336123.db2.gz NNZUJCBCXGIWTC-VIFPVBQESA-N 1 2 237.328 1.732 20 0 BDADLO O=C(Cc1ccon1)Nc1ccc2[nH+]ccn2c1 ZINC000673668020 488302245 /nfs/dbraw/zinc/30/22/45/488302245.db2.gz FKOLMTJHWDOBMH-UHFFFAOYSA-N 1 2 242.238 1.504 20 0 BDADLO CCOc1cccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000673748015 488306411 /nfs/dbraw/zinc/30/64/11/488306411.db2.gz FFUWPFDFAJGUFC-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCC1 ZINC000684468077 488317261 /nfs/dbraw/zinc/31/72/61/488317261.db2.gz MVHMWQFGVTXGEJ-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C)n2)C[C@H]1F ZINC000679220227 488318557 /nfs/dbraw/zinc/31/85/57/488318557.db2.gz DAPVDKJXZXSAQA-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@H]1F ZINC000679220227 488318559 /nfs/dbraw/zinc/31/85/59/488318559.db2.gz DAPVDKJXZXSAQA-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CC=CCC1 ZINC000679272454 488327492 /nfs/dbraw/zinc/32/74/92/488327492.db2.gz SDPXFARJSHJSCV-UHFFFAOYSA-N 1 2 234.303 1.245 20 0 BDADLO CC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000684597733 488330705 /nfs/dbraw/zinc/33/07/05/488330705.db2.gz XZSGFZQUPGRREY-LBPRGKRZSA-N 1 2 248.330 1.455 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000684757868 488340275 /nfs/dbraw/zinc/34/02/75/488340275.db2.gz QFFGJKRUQINXEE-GRYCIOLGSA-N 1 2 245.326 1.360 20 0 BDADLO CC(C)N1CC[N@@H+]([C@@H](C)c2ccncc2)CC1=O ZINC000679541447 488357418 /nfs/dbraw/zinc/35/74/18/488357418.db2.gz ZKBPKWCGTHBGCE-LBPRGKRZSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)N1CC[N@H+]([C@@H](C)c2ccncc2)CC1=O ZINC000679541447 488357420 /nfs/dbraw/zinc/35/74/20/488357420.db2.gz ZKBPKWCGTHBGCE-LBPRGKRZSA-N 1 2 247.342 1.695 20 0 BDADLO CN(C)C(=O)C[NH2+]Cc1nc2ccccc2o1 ZINC000679647571 488362396 /nfs/dbraw/zinc/36/23/96/488362396.db2.gz BEUYWTDRNBEPJA-UHFFFAOYSA-N 1 2 233.271 1.006 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679739300 488365538 /nfs/dbraw/zinc/36/55/38/488365538.db2.gz CKRPUVOOQBTDFI-SECBINFHSA-N 1 2 246.261 1.019 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679739300 488365539 /nfs/dbraw/zinc/36/55/39/488365539.db2.gz CKRPUVOOQBTDFI-SECBINFHSA-N 1 2 246.261 1.019 20 0 BDADLO CCc1cc(NCc2cc(C)[nH]n2)nc(C)[nH+]1 ZINC000679838557 488367774 /nfs/dbraw/zinc/36/77/74/488367774.db2.gz RROJREAYYVIENW-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO CC(C)c1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000110111597 490103980 /nfs/dbraw/zinc/10/39/80/490103980.db2.gz JBVPRLFSHMLKQM-JTQLQIEISA-N 1 2 221.304 1.561 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@H](F)C1 ZINC000493662088 490140281 /nfs/dbraw/zinc/14/02/81/490140281.db2.gz WPQPSEOOOORIMH-OCIBVNFRSA-N 1 2 237.278 1.820 20 0 BDADLO Cc1noc(C[N@H+](C)CC2=CCCC2)n1 ZINC000653888334 490154822 /nfs/dbraw/zinc/15/48/22/490154822.db2.gz OBTVZMLEOWGJFL-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO Cc1noc(C[N@@H+](C)CC2=CCCC2)n1 ZINC000653888334 490154826 /nfs/dbraw/zinc/15/48/26/490154826.db2.gz OBTVZMLEOWGJFL-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO CN(Cc1cn(C(C)(C)C)nn1)Cc1[nH]cc[nH+]1 ZINC000660142123 490178178 /nfs/dbraw/zinc/17/81/78/490178178.db2.gz OFMKMNWUFGYBHG-UHFFFAOYSA-N 1 2 248.334 1.388 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000126903882 490188595 /nfs/dbraw/zinc/18/85/95/490188595.db2.gz WRHJWZUHZBYUPK-TXEJJXNPSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000126903882 490188597 /nfs/dbraw/zinc/18/85/97/490188597.db2.gz WRHJWZUHZBYUPK-TXEJJXNPSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H]2C)[nH+]1 ZINC000674336412 490214843 /nfs/dbraw/zinc/21/48/43/490214843.db2.gz GDYLQMWYZSQCDA-SSDOTTSWSA-N 1 2 202.261 1.865 20 0 BDADLO CC[N@H+](CC(=O)c1cccn1C)[C@@H]1CCOC1 ZINC000336697466 490269019 /nfs/dbraw/zinc/26/90/19/490269019.db2.gz IYSRHJPCSDLIGJ-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO CC[N@@H+](CC(=O)c1cccn1C)[C@@H]1CCOC1 ZINC000336697466 490269025 /nfs/dbraw/zinc/26/90/25/490269025.db2.gz IYSRHJPCSDLIGJ-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000130910446 490460600 /nfs/dbraw/zinc/46/06/00/490460600.db2.gz SRHGCNVJYWRNOT-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000130910446 490460610 /nfs/dbraw/zinc/46/06/10/490460610.db2.gz SRHGCNVJYWRNOT-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO COC(C)(C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074028740 490474506 /nfs/dbraw/zinc/47/45/06/490474506.db2.gz FJUJONLKKBCHBA-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1F ZINC000074726852 490500243 /nfs/dbraw/zinc/50/02/43/490500243.db2.gz KEXCJVZYYOHIRK-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1F ZINC000074726852 490500248 /nfs/dbraw/zinc/50/02/48/490500248.db2.gz KEXCJVZYYOHIRK-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000127007346 490532243 /nfs/dbraw/zinc/53/22/43/490532243.db2.gz VUESGDKSMGAYDI-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000127007346 490532250 /nfs/dbraw/zinc/53/22/50/490532250.db2.gz VUESGDKSMGAYDI-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO COC[C@H](CCNc1cc[nH+]c(C)n1)OC ZINC000664165662 490587020 /nfs/dbraw/zinc/58/70/20/490587020.db2.gz LITJSMFBPIKYBK-JTQLQIEISA-N 1 2 225.292 1.248 20 0 BDADLO CCc1cc(N(C)C[C@H](O)C2CC2)nc[nH+]1 ZINC000080233668 490627498 /nfs/dbraw/zinc/62/74/98/490627498.db2.gz GBVNTANIVMTEKY-NSHDSACASA-N 1 2 221.304 1.246 20 0 BDADLO Cc1cc(C[N@H+]2CC3(CCC3)OC[C@H]2C)nn1C ZINC000661463148 490682733 /nfs/dbraw/zinc/68/27/33/490682733.db2.gz NRADRKZRGABHBK-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)nn1C ZINC000661463148 490682736 /nfs/dbraw/zinc/68/27/36/490682736.db2.gz NRADRKZRGABHBK-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085824936 491053525 /nfs/dbraw/zinc/05/35/25/491053525.db2.gz AVJJKPNACKHVCS-SNVBAGLBSA-N 1 2 238.335 1.097 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085824936 491053526 /nfs/dbraw/zinc/05/35/26/491053526.db2.gz AVJJKPNACKHVCS-SNVBAGLBSA-N 1 2 238.335 1.097 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccnc2)o1 ZINC000227084153 491054812 /nfs/dbraw/zinc/05/48/12/491054812.db2.gz XAQBONAYGVRHNL-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO Cc1nc(NCCC2(CO)CCC2)cc[nH+]1 ZINC000651465561 491063399 /nfs/dbraw/zinc/06/33/99/491063399.db2.gz UQKBMLWFQGXIEH-UHFFFAOYSA-N 1 2 221.304 1.172 20 0 BDADLO CC(C)c1c[nH]nc1NC(=O)C=Cc1[nH]cc[nH+]1 ZINC000493866397 491079552 /nfs/dbraw/zinc/07/95/52/491079552.db2.gz CFARLTAGGGYIIL-ARJAWSKDSA-N 1 2 245.286 1.908 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(C)o1 ZINC000659830095 491078736 /nfs/dbraw/zinc/07/87/36/491078736.db2.gz DCWDMUXPORBJSQ-LLVKDONJSA-N 1 2 237.303 1.131 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2C(N)=O)c(C)o1 ZINC000659830095 491078737 /nfs/dbraw/zinc/07/87/37/491078737.db2.gz DCWDMUXPORBJSQ-LLVKDONJSA-N 1 2 237.303 1.131 20 0 BDADLO Cc1ccc2[nH+]cc(CNc3c[nH]cn3)n2c1 ZINC000519519592 491101402 /nfs/dbraw/zinc/10/14/02/491101402.db2.gz WHTNNGDUBWZETM-UHFFFAOYSA-N 1 2 227.271 1.978 20 0 BDADLO CCc1cc(N[C@@H](C)c2cn[nH]c2)nc[nH+]1 ZINC000229871200 491121446 /nfs/dbraw/zinc/12/14/46/491121446.db2.gz LZQJMUOVBGMDHS-QMMMGPOBSA-N 1 2 217.276 1.935 20 0 BDADLO CCc1cc(N[C@H](C)c2cn[nH]c2)nc[nH+]1 ZINC000229871206 491121451 /nfs/dbraw/zinc/12/14/51/491121451.db2.gz LZQJMUOVBGMDHS-MRVPVSSYSA-N 1 2 217.276 1.935 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(F)c(C(N)=O)c1 ZINC000090165724 491123536 /nfs/dbraw/zinc/12/35/36/491123536.db2.gz QEXBYZUKPOMAEO-UHFFFAOYSA-N 1 2 248.261 1.270 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000138982330 491130064 /nfs/dbraw/zinc/13/00/64/491130064.db2.gz VFYJYPYTFBRJII-SECBINFHSA-N 1 2 233.319 1.611 20 0 BDADLO O=c1[nH]nc(C[NH+]2CCC3(CCCC3)CC2)[nH]1 ZINC000091580633 491131139 /nfs/dbraw/zinc/13/11/39/491131139.db2.gz DGIOCFIPEFBIPQ-UHFFFAOYSA-N 1 2 236.319 1.254 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCCc3cccnc32)n[nH]1 ZINC000091661294 491131283 /nfs/dbraw/zinc/13/12/83/491131283.db2.gz BTLZPGQVGBTURC-GFCCVEGCSA-N 1 2 228.299 1.972 20 0 BDADLO OC[C@H](Nc1cc[nH+]c2ccncc12)C1CCC1 ZINC000664172032 491133224 /nfs/dbraw/zinc/13/32/24/491133224.db2.gz SYXSQGQKOXGJMV-AWEZNQCLSA-N 1 2 243.310 1.625 20 0 BDADLO OC[C@@H](Nc1cc[nH+]c2ccncc12)C1CCC1 ZINC000664172036 491133235 /nfs/dbraw/zinc/13/32/35/491133235.db2.gz SYXSQGQKOXGJMV-CQSZACIVSA-N 1 2 243.310 1.625 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1nnc2ccccn21 ZINC000081007097 491133755 /nfs/dbraw/zinc/13/37/55/491133755.db2.gz NTSKHCYXCJRJLQ-UHFFFAOYSA-N 1 2 248.330 1.586 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000081007097 491133756 /nfs/dbraw/zinc/13/37/56/491133756.db2.gz NTSKHCYXCJRJLQ-UHFFFAOYSA-N 1 2 248.330 1.586 20 0 BDADLO CCO[C@H]1COCC[C@@H]1[NH2+]CC(F)F ZINC000308587769 491137260 /nfs/dbraw/zinc/13/72/60/491137260.db2.gz JAQNHULHOZUJAN-YUMQZZPRSA-N 1 2 209.236 1.035 20 0 BDADLO Cc1ccsc1[C@H](CO)[NH2+]CC(F)F ZINC000308743311 491137887 /nfs/dbraw/zinc/13/78/87/491137887.db2.gz PYZVNJOMUGVREI-ZETCQYMHSA-N 1 2 221.272 1.945 20 0 BDADLO CCc1nnc(CN[C@H](C)c2[nH]cc[nH+]2)s1 ZINC000309643459 491153478 /nfs/dbraw/zinc/15/34/78/491153478.db2.gz LJZCHDUZTPFHBX-SSDOTTSWSA-N 1 2 237.332 1.674 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494211585 533794750 /nfs/dbraw/zinc/79/47/50/533794750.db2.gz HKWNHNIGWYMEEO-RKDXNWHRSA-N 1 2 239.331 1.687 20 0 BDADLO CSC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494211585 533794756 /nfs/dbraw/zinc/79/47/56/533794756.db2.gz HKWNHNIGWYMEEO-RKDXNWHRSA-N 1 2 239.331 1.687 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492864347 533913719 /nfs/dbraw/zinc/91/37/19/533913719.db2.gz TYXQCSMXJLQOBM-PKRMOACSSA-N 1 2 205.261 1.291 20 0 BDADLO CS[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493383363 534044305 /nfs/dbraw/zinc/04/43/05/534044305.db2.gz JUHCTNVOFJKTLC-TUUFMJSCSA-N 1 2 225.317 1.291 20 0 BDADLO C[C@H](O)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000494892168 534089068 /nfs/dbraw/zinc/08/90/68/534089068.db2.gz RRVIVPOOWPRTJX-ONGXEEELSA-N 1 2 238.335 1.397 20 0 BDADLO C[C@@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493293860 534155092 /nfs/dbraw/zinc/15/50/92/534155092.db2.gz MCMXKOLKIVSCNQ-BRAIEQGRSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857718 534177728 /nfs/dbraw/zinc/17/77/28/534177728.db2.gz DYOIRRTUQIWOTH-WBSSQXGSSA-N 1 2 205.261 1.434 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812875 534185848 /nfs/dbraw/zinc/18/58/48/534185848.db2.gz NTOXTUVJRRSFLJ-BIMKLNOUSA-N 1 2 235.287 1.107 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000308946958 534231330 /nfs/dbraw/zinc/23/13/30/534231330.db2.gz NZTORQZRKANQJZ-UTLUCORTSA-N 1 2 231.361 1.668 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000336162190 536086270 /nfs/dbraw/zinc/08/62/70/536086270.db2.gz CINKACOWECBBFX-GXSJLCMTSA-N 1 2 234.299 1.429 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493184583 534261515 /nfs/dbraw/zinc/26/15/15/534261515.db2.gz GPKVMNWDVWAVRF-HOMPQPGZSA-N 1 2 205.261 1.338 20 0 BDADLO C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCOC1 ZINC000492767160 534272991 /nfs/dbraw/zinc/27/29/91/534272991.db2.gz NMZBQKGITLWAQP-AAOUONPWSA-N 1 2 235.287 1.108 20 0 BDADLO COC[C@@H](C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892025733 582765049 /nfs/dbraw/zinc/76/50/49/582765049.db2.gz VKYKKUVHEPWJNF-UWVGGRQHSA-N 1 2 224.304 1.829 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)OC1CCC1 ZINC000496136135 534360951 /nfs/dbraw/zinc/36/09/51/534360951.db2.gz YQILLOGNLQQWLY-UHFFFAOYSA-N 1 2 235.287 1.772 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cncs1 ZINC000889510653 582796399 /nfs/dbraw/zinc/79/63/99/582796399.db2.gz IEIOHPWXYKTFHG-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC1(C)CC1 ZINC000401312663 534718608 /nfs/dbraw/zinc/71/86/08/534718608.db2.gz JXIOVQAUDQEATA-UHFFFAOYSA-N 1 2 207.277 1.525 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc[nH]1 ZINC000493447858 534719560 /nfs/dbraw/zinc/71/95/60/534719560.db2.gz HHALQGKHSYWHKB-PLNGDYQASA-N 1 2 230.271 1.376 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H](CCCO)C1 ZINC000493844726 534786254 /nfs/dbraw/zinc/78/62/54/534786254.db2.gz AUUXOYWNVCWEPR-PGLGOXFNSA-N 1 2 249.314 1.044 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1cncs1 ZINC000493327536 534787656 /nfs/dbraw/zinc/78/76/56/534787656.db2.gz VYSKQBMQTDEDGN-NSCUHMNNSA-N 1 2 248.311 1.206 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC[C@@H]1CCO ZINC000492896316 534801100 /nfs/dbraw/zinc/80/11/00/534801100.db2.gz IXHLIMOHGKYONS-QMAVJUDZSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1CCO ZINC000492823827 534803674 /nfs/dbraw/zinc/80/36/74/534803674.db2.gz ONHJBSLEUIHTLU-HDTYDHQFSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccncc1 ZINC000492822492 534803876 /nfs/dbraw/zinc/80/38/76/534803876.db2.gz JQQOKMFIGICUIG-UPHRSURJSA-N 1 2 228.255 1.134 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ncccc1O ZINC000492912546 534804616 /nfs/dbraw/zinc/80/46/16/534804616.db2.gz OIYACTRGZIUXGR-ARJAWSKDSA-N 1 2 230.227 1.162 20 0 BDADLO CC(C)c1nc(N2CCO[C@@H](C)C2)cc[nH+]1 ZINC000171675558 534909087 /nfs/dbraw/zinc/90/90/87/534909087.db2.gz NRGMVNWFWISNNU-JTQLQIEISA-N 1 2 221.304 1.825 20 0 BDADLO CC(C)c1nccc(N2CCn3c[nH+]cc3C2)n1 ZINC000377358960 534909250 /nfs/dbraw/zinc/90/92/50/534909250.db2.gz JFLCDUBKNIJCDQ-UHFFFAOYSA-N 1 2 243.314 1.817 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348246711 536471269 /nfs/dbraw/zinc/47/12/69/536471269.db2.gz MHDUQMAEPUEJQW-RNFRBKRXSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348246711 536471273 /nfs/dbraw/zinc/47/12/73/536471273.db2.gz MHDUQMAEPUEJQW-RNFRBKRXSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348246710 536471322 /nfs/dbraw/zinc/47/13/22/536471322.db2.gz MHDUQMAEPUEJQW-NKWVEPMBSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348246710 536471324 /nfs/dbraw/zinc/47/13/24/536471324.db2.gz MHDUQMAEPUEJQW-NKWVEPMBSA-N 1 2 225.210 1.432 20 0 BDADLO COCCOCC[N@H+](CC(F)F)C(C)C ZINC000178559395 536496284 /nfs/dbraw/zinc/49/62/84/536496284.db2.gz APGZTYRUXJOVFU-UHFFFAOYSA-N 1 2 225.279 1.625 20 0 BDADLO COCCOCC[N@@H+](CC(F)F)C(C)C ZINC000178559395 536496292 /nfs/dbraw/zinc/49/62/92/536496292.db2.gz APGZTYRUXJOVFU-UHFFFAOYSA-N 1 2 225.279 1.625 20 0 BDADLO CC(C)(NC(=O)/C=C/c1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000493072428 527263698 /nfs/dbraw/zinc/26/36/98/527263698.db2.gz QFMVIDOBLDQSCH-ONEGZZNKSA-N 1 2 245.286 1.198 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493589014 527562125 /nfs/dbraw/zinc/56/21/25/527562125.db2.gz ARNRASNOUNDVAA-PLNGDYQASA-N 1 2 235.287 1.154 20 0 BDADLO CCC1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493112573 527871161 /nfs/dbraw/zinc/87/11/61/527871161.db2.gz DVCZMGIGKJMQER-ONEGZZNKSA-N 1 2 205.261 1.291 20 0 BDADLO CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000493517008 528018306 /nfs/dbraw/zinc/01/83/06/528018306.db2.gz NDKMKUWWFOYUIK-IHWYPQMZSA-N 1 2 235.287 1.108 20 0 BDADLO CCC(=O)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492560445 528291959 /nfs/dbraw/zinc/29/19/59/528291959.db2.gz CWZFFPXOSGJMOT-WAYWQWQTSA-N 1 2 235.287 1.012 20 0 BDADLO CCO/C=C/C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000493786491 528494679 /nfs/dbraw/zinc/49/46/79/528494679.db2.gz JRSRDDLGSGDRKK-WHXYTISESA-N 1 2 223.276 1.527 20 0 BDADLO CCOC=CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000493786491 528494683 /nfs/dbraw/zinc/49/46/83/528494683.db2.gz JRSRDDLGSGDRKK-WHXYTISESA-N 1 2 223.276 1.527 20 0 BDADLO CCO/C=C\C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000493786488 528532064 /nfs/dbraw/zinc/53/20/64/528532064.db2.gz JRSRDDLGSGDRKK-RDOCRHDPSA-N 1 2 223.276 1.527 20 0 BDADLO CCOC=CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000493786488 528532068 /nfs/dbraw/zinc/53/20/68/528532068.db2.gz JRSRDDLGSGDRKK-RDOCRHDPSA-N 1 2 223.276 1.527 20 0 BDADLO CC(C)n1ccc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH]1 ZINC000492895709 528586543 /nfs/dbraw/zinc/58/65/43/528586543.db2.gz IHDHUDGWCKCSEP-ARJAWSKDSA-N 1 2 245.286 1.261 20 0 BDADLO CC(C)[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493294512 528710795 /nfs/dbraw/zinc/71/07/95/528710795.db2.gz RTXVBMPGVYCHBO-UFFNRZRYSA-N 1 2 249.314 1.306 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493352793 528795580 /nfs/dbraw/zinc/79/55/80/528795580.db2.gz NETDAZHNVYLJOS-MJKAUQOVSA-N 1 2 219.288 1.584 20 0 BDADLO CCOC(=O)NOCc1ccc(C)[nH+]c1C ZINC000497116086 529084978 /nfs/dbraw/zinc/08/49/78/529084978.db2.gz WTTAHWPVUVCLPO-UHFFFAOYSA-N 1 2 224.260 1.876 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493729786 529311179 /nfs/dbraw/zinc/31/11/79/529311179.db2.gz UZIPQQJUNRNNCJ-BRAIEQGRSA-N 1 2 221.304 1.927 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)n(C)n1 ZINC000487382130 529311366 /nfs/dbraw/zinc/31/13/66/529311366.db2.gz UOGFHADSGQCWCE-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)n(C)n1 ZINC000487382130 529311368 /nfs/dbraw/zinc/31/13/68/529311368.db2.gz UOGFHADSGQCWCE-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000336061816 534942608 /nfs/dbraw/zinc/94/26/08/534942608.db2.gz JRYIATRFXUYQET-MRXNPFEDSA-N 1 2 238.356 1.425 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1Cc1ccncc1 ZINC000336061816 534942610 /nfs/dbraw/zinc/94/26/10/534942610.db2.gz JRYIATRFXUYQET-MRXNPFEDSA-N 1 2 238.356 1.425 20 0 BDADLO CC(C)[C@@H](C)N(C)Cc1noc(C[NH3+])n1 ZINC000261536459 535160743 /nfs/dbraw/zinc/16/07/43/535160743.db2.gz RUGLILAZYGVLFL-MRVPVSSYSA-N 1 2 212.297 1.005 20 0 BDADLO CCCOCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000221512568 535230803 /nfs/dbraw/zinc/23/08/03/535230803.db2.gz TVTQSTALKYOUNR-SECBINFHSA-N 1 2 225.292 1.404 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)[C@@H]1[C@@H]1CCCO1 ZINC000351983627 535357111 /nfs/dbraw/zinc/35/71/11/535357111.db2.gz USVWPWMIDQETAR-WCQYABFASA-N 1 2 247.342 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)[C@@H]1[C@@H]1CCCO1 ZINC000351983627 535357115 /nfs/dbraw/zinc/35/71/15/535357115.db2.gz USVWPWMIDQETAR-WCQYABFASA-N 1 2 247.342 1.866 20 0 BDADLO CCCc1nc(C[N@H+](CC)C[C@H](C)O)no1 ZINC000352214109 535520735 /nfs/dbraw/zinc/52/07/35/535520735.db2.gz XUNRNHPIYSPODM-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](CC)C[C@H](C)O)no1 ZINC000352214109 535520740 /nfs/dbraw/zinc/52/07/40/535520740.db2.gz XUNRNHPIYSPODM-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547384 535545595 /nfs/dbraw/zinc/54/55/95/535545595.db2.gz GHSIOBOEPHZSMN-MNOVXSKESA-N 1 2 235.331 1.702 20 0 BDADLO CCN(C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335960781 535729235 /nfs/dbraw/zinc/72/92/35/535729235.db2.gz RBSUISFMYFGGLH-SNVBAGLBSA-N 1 2 236.319 1.281 20 0 BDADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(F)(F)F ZINC000348057736 535889381 /nfs/dbraw/zinc/88/93/81/535889381.db2.gz PEKDCJSCHYEOAM-ZETCQYMHSA-N 1 2 235.209 1.789 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000176589275 535938366 /nfs/dbraw/zinc/93/83/66/535938366.db2.gz ORDAODYFIJTHGU-JOYOIKCWSA-N 1 2 221.304 1.505 20 0 BDADLO CC[C@H](SC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000178872826 536057760 /nfs/dbraw/zinc/05/77/60/536057760.db2.gz UXDBASQKWYWAQY-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2conc2C)CCO1 ZINC000335945343 536058305 /nfs/dbraw/zinc/05/83/05/536058305.db2.gz AZCSUCYYZNKHRY-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2conc2C)CCO1 ZINC000335945343 536058302 /nfs/dbraw/zinc/05/83/02/536058302.db2.gz AZCSUCYYZNKHRY-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@@H]1F ZINC000335609456 536085464 /nfs/dbraw/zinc/08/54/64/536085464.db2.gz WGVSRRKQFVATFK-JQWIXIFHSA-N 1 2 222.263 1.753 20 0 BDADLO CCc1nc(N2C[C@@H](C)OC[C@@H]2C)cc(C)[nH+]1 ZINC000286209040 536124958 /nfs/dbraw/zinc/12/49/58/536124958.db2.gz SCQKPFJAXVVIBB-WDEREUQCSA-N 1 2 235.331 1.961 20 0 BDADLO CCc1cc(C(=O)NCc2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000350073970 536126261 /nfs/dbraw/zinc/12/62/61/536126261.db2.gz NWXKLFNBPGLCDZ-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO CCc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1O ZINC000342555850 536126887 /nfs/dbraw/zinc/12/68/87/536126887.db2.gz WYJWXZZAJVDRTL-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000175084380 536158217 /nfs/dbraw/zinc/15/82/17/536158217.db2.gz ISBOZUXVXVTFTL-RYUDHWBXSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1 ZINC000175084380 536158219 /nfs/dbraw/zinc/15/82/19/536158219.db2.gz ISBOZUXVXVTFTL-RYUDHWBXSA-N 1 2 242.363 1.353 20 0 BDADLO COCCC[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000350075051 536652184 /nfs/dbraw/zinc/65/21/84/536652184.db2.gz OWALATGAIFMCKJ-SECBINFHSA-N 1 2 225.292 1.089 20 0 BDADLO COc1cc(C)[nH+]c(CN2CCC(O)CC2)c1 ZINC000168885319 536690438 /nfs/dbraw/zinc/69/04/38/536690438.db2.gz VCBCYNSEGOSGJB-UHFFFAOYSA-N 1 2 236.315 1.355 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000227769387 536739179 /nfs/dbraw/zinc/73/91/79/536739179.db2.gz BAAWNXSBRMCMKQ-GHMZBOCLSA-N 1 2 227.304 1.097 20 0 BDADLO CCc1cc(N[C@H](C)CCO)nc(CC)[nH+]1 ZINC000892616466 582931331 /nfs/dbraw/zinc/93/13/31/582931331.db2.gz NDTKMXASTGIACH-SECBINFHSA-N 1 2 223.320 1.784 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000260128074 536765570 /nfs/dbraw/zinc/76/55/70/536765570.db2.gz RCFYOSPFKIZDQZ-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccncc1 ZINC000260128074 536765574 /nfs/dbraw/zinc/76/55/74/536765574.db2.gz RCFYOSPFKIZDQZ-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000351517259 536835955 /nfs/dbraw/zinc/83/59/55/536835955.db2.gz JIGINQPQMLUHOG-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000351517259 536835944 /nfs/dbraw/zinc/83/59/44/536835944.db2.gz JIGINQPQMLUHOG-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO CC[C@H](CCO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892648987 582938511 /nfs/dbraw/zinc/93/85/11/582938511.db2.gz IHRKVBLLMSUMSN-VHSXEESVSA-N 1 2 224.304 1.708 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000666402119 566333372 /nfs/dbraw/zinc/33/33/72/566333372.db2.gz IJKUTSJWFLDLTN-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000666402119 566333382 /nfs/dbraw/zinc/33/33/82/566333382.db2.gz IJKUTSJWFLDLTN-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO O=C1C[N@H+](Cc2ccccc2)CCN1C1CC1 ZINC000307397799 566360782 /nfs/dbraw/zinc/36/07/82/566360782.db2.gz RQKVVYFBAIATCV-UHFFFAOYSA-N 1 2 230.311 1.493 20 0 BDADLO O=C1C[N@@H+](Cc2ccccc2)CCN1C1CC1 ZINC000307397799 566360794 /nfs/dbraw/zinc/36/07/94/566360794.db2.gz RQKVVYFBAIATCV-UHFFFAOYSA-N 1 2 230.311 1.493 20 0 BDADLO Cc1ccsc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295115388 566388597 /nfs/dbraw/zinc/38/85/97/566388597.db2.gz WQVIYVXCOAFKCU-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccsc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295115388 566388603 /nfs/dbraw/zinc/38/86/03/566388603.db2.gz WQVIYVXCOAFKCU-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)[C@H]1C ZINC000892802807 582986370 /nfs/dbraw/zinc/98/63/70/582986370.db2.gz VFYKHYIPNKBAED-ZJUUUORDSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)[C@H]1C ZINC000892802807 582986371 /nfs/dbraw/zinc/98/63/71/582986371.db2.gz VFYKHYIPNKBAED-ZJUUUORDSA-N 1 2 220.320 1.777 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852604010 583015344 /nfs/dbraw/zinc/01/53/44/583015344.db2.gz YBEVCPUCSXNUMX-RKDXNWHRSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852604010 583015346 /nfs/dbraw/zinc/01/53/46/583015346.db2.gz YBEVCPUCSXNUMX-RKDXNWHRSA-N 1 2 239.237 1.617 20 0 BDADLO CCc1cc(NCCCCO)nc(CC)[nH+]1 ZINC000893545415 583161202 /nfs/dbraw/zinc/16/12/02/583161202.db2.gz SBFPGTGEZSKFDR-UHFFFAOYSA-N 1 2 223.320 1.786 20 0 BDADLO CCCSC[C@@H](C)[NH2+]CC(F)(F)CO ZINC000893642649 583184475 /nfs/dbraw/zinc/18/44/75/583184475.db2.gz OXLIJDCLBNXOBR-MRVPVSSYSA-N 1 2 227.320 1.735 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000893962474 583258188 /nfs/dbraw/zinc/25/81/88/583258188.db2.gz MRCCIRBPBJJLLM-UHFFFAOYSA-N 1 2 235.331 1.583 20 0 BDADLO Cc1ccnc(N)c1C[N@H+]1CCOC(C)(C)C1 ZINC000893962474 583258191 /nfs/dbraw/zinc/25/81/91/583258191.db2.gz MRCCIRBPBJJLLM-UHFFFAOYSA-N 1 2 235.331 1.583 20 0 BDADLO F[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894022953 583274924 /nfs/dbraw/zinc/27/49/24/583274924.db2.gz IOMLUCHACSIPFT-MRVPVSSYSA-N 1 2 206.224 1.278 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1C ZINC000894026505 583281111 /nfs/dbraw/zinc/28/11/11/583281111.db2.gz LTXGAKZPDAJVCQ-MNOVXSKESA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1C ZINC000894026505 583281113 /nfs/dbraw/zinc/28/11/13/583281113.db2.gz LTXGAKZPDAJVCQ-MNOVXSKESA-N 1 2 223.320 1.636 20 0 BDADLO C[C@H](NC(=S)NCC1CC1)c1[nH+]ccn1C ZINC000853044606 588717657 /nfs/dbraw/zinc/71/76/57/588717657.db2.gz LKBMGWPXQSEPLD-QMMMGPOBSA-N 1 2 238.360 1.355 20 0 BDADLO C[C@H](CNc1cc(F)ncn1)Cn1cc[nH+]c1 ZINC000853189531 588723911 /nfs/dbraw/zinc/72/39/11/588723911.db2.gz WOLDOXICYHKOQR-SECBINFHSA-N 1 2 235.266 1.560 20 0 BDADLO C[C@H](CC(=O)O[C@@H]1COC[C@H]1C)n1cc[nH+]c1 ZINC000853198646 588724921 /nfs/dbraw/zinc/72/49/21/588724921.db2.gz COQCLLFRBZILMS-GMTAPVOTSA-N 1 2 238.287 1.412 20 0 BDADLO Cc1nn(C[N@@H+](CC(C)C)C2CC2)c(=O)o1 ZINC000853490083 588745412 /nfs/dbraw/zinc/74/54/12/588745412.db2.gz MOBDXXFPCJIFMM-UHFFFAOYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@H+](CC(C)C)C2CC2)c(=O)o1 ZINC000853490083 588745413 /nfs/dbraw/zinc/74/54/13/588745413.db2.gz MOBDXXFPCJIFMM-UHFFFAOYSA-N 1 2 225.292 1.223 20 0 BDADLO CCCC[N@H+](CC)Cn1nc(C)oc1=O ZINC000853489625 588745600 /nfs/dbraw/zinc/74/56/00/588745600.db2.gz GBAZINHQHXECHA-UHFFFAOYSA-N 1 2 213.281 1.224 20 0 BDADLO CCCC[N@@H+](CC)Cn1nc(C)oc1=O ZINC000853489625 588745601 /nfs/dbraw/zinc/74/56/01/588745601.db2.gz GBAZINHQHXECHA-UHFFFAOYSA-N 1 2 213.281 1.224 20 0 BDADLO CC(C)[C@@H]1CCN(C[N@@H+]2CC[C@H](F)C2)C1=O ZINC000853517613 588747122 /nfs/dbraw/zinc/74/71/22/588747122.db2.gz YXAVLCSZFNPPNM-QWRGUYRKSA-N 1 2 228.311 1.492 20 0 BDADLO CC(C)[C@@H]1CCN(C[N@H+]2CC[C@H](F)C2)C1=O ZINC000853517613 588747123 /nfs/dbraw/zinc/74/71/23/588747123.db2.gz YXAVLCSZFNPPNM-QWRGUYRKSA-N 1 2 228.311 1.492 20 0 BDADLO Fc1ccc([C@H]2CC[N@@H+]2Cn2cnnc2)cc1 ZINC000853543816 588748250 /nfs/dbraw/zinc/74/82/50/588748250.db2.gz LBISTWOIYAFTFV-GFCCVEGCSA-N 1 2 232.262 1.822 20 0 BDADLO Fc1ccc([C@H]2CC[N@H+]2Cn2cnnc2)cc1 ZINC000853543816 588748251 /nfs/dbraw/zinc/74/82/51/588748251.db2.gz LBISTWOIYAFTFV-GFCCVEGCSA-N 1 2 232.262 1.822 20 0 BDADLO C[N@@H+](CC1=CCCOC1)Cn1cc(Cl)cn1 ZINC000853562456 588748734 /nfs/dbraw/zinc/74/87/34/588748734.db2.gz PQSOUDPTELKFQK-UHFFFAOYSA-N 1 2 241.722 1.773 20 0 BDADLO C[N@H+](CC1=CCCOC1)Cn1cc(Cl)cn1 ZINC000853562456 588748735 /nfs/dbraw/zinc/74/87/35/588748735.db2.gz PQSOUDPTELKFQK-UHFFFAOYSA-N 1 2 241.722 1.773 20 0 BDADLO C[C@]12COC[C@@H]1C[N@H+](Cn1cc(Cl)cn1)C2 ZINC000853568064 588749042 /nfs/dbraw/zinc/74/90/42/588749042.db2.gz YPYUSWWTIUXUKF-ONGXEEELSA-N 1 2 241.722 1.462 20 0 BDADLO C[C@]12COC[C@@H]1C[N@@H+](Cn1cc(Cl)cn1)C2 ZINC000853568064 588749043 /nfs/dbraw/zinc/74/90/43/588749043.db2.gz YPYUSWWTIUXUKF-ONGXEEELSA-N 1 2 241.722 1.462 20 0 BDADLO C[C@@H]1C[C@H](Nc2ncccn2)c2[nH+]ccn21 ZINC000853668427 588754018 /nfs/dbraw/zinc/75/40/18/588754018.db2.gz NFPDVKLYRFYNBF-BDAKNGLRSA-N 1 2 215.260 1.791 20 0 BDADLO C[C@@H]1C[C@@H](Nc2ncccn2)c2[nH+]ccn21 ZINC000853668430 588754054 /nfs/dbraw/zinc/75/40/54/588754054.db2.gz NFPDVKLYRFYNBF-RKDXNWHRSA-N 1 2 215.260 1.791 20 0 BDADLO C[C@H]1C[C@H](Nc2cnc(F)cn2)c2[nH+]ccn21 ZINC000853668541 588754186 /nfs/dbraw/zinc/75/41/86/588754186.db2.gz QXXFZDSZIFQVCN-YUMQZZPRSA-N 1 2 233.250 1.930 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000853673224 588754498 /nfs/dbraw/zinc/75/44/98/588754498.db2.gz CAMSFFZUHTWSNC-DBIOUOCHSA-N 1 2 226.320 1.956 20 0 BDADLO Cc1[nH+]c2cc(OCC3OCCO3)ccc2n1C ZINC000853706488 588758118 /nfs/dbraw/zinc/75/81/18/588758118.db2.gz LBDRICAELGNZPI-UHFFFAOYSA-N 1 2 248.282 1.633 20 0 BDADLO CC(C)c1nc(NC[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000853867865 588766782 /nfs/dbraw/zinc/76/67/82/588766782.db2.gz UEBQKYPXRSPZMV-JTQLQIEISA-N 1 2 248.330 1.490 20 0 BDADLO CC(C)c1nc(N2CCC3(COC3)C2)cc[nH+]1 ZINC000853951544 588770242 /nfs/dbraw/zinc/77/02/42/588770242.db2.gz ZGWFQICSFXCODK-UHFFFAOYSA-N 1 2 233.315 1.827 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854455035 588787375 /nfs/dbraw/zinc/78/73/75/588787375.db2.gz DHFWXDBLHCCVSF-JOYOIKCWSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854455035 588787376 /nfs/dbraw/zinc/78/73/76/588787376.db2.gz DHFWXDBLHCCVSF-JOYOIKCWSA-N 1 2 247.342 1.819 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCc2occc2C1 ZINC000854492988 588789472 /nfs/dbraw/zinc/78/94/72/588789472.db2.gz CDUMRMVESGKETB-UHFFFAOYSA-N 1 2 245.282 1.520 20 0 BDADLO CCOCC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854491694 588789480 /nfs/dbraw/zinc/78/94/80/588789480.db2.gz ILTKZMPGSRAEGH-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CCCCC[C@@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595013 588796186 /nfs/dbraw/zinc/79/61/86/588796186.db2.gz UUODHYZFIDJSFH-NXEZZACHSA-N 1 2 239.319 1.528 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC1CC(F)(F)C1 ZINC000854899027 588815819 /nfs/dbraw/zinc/81/58/19/588815819.db2.gz IVCOFAPVYQTTLM-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1F ZINC000854935880 588817346 /nfs/dbraw/zinc/81/73/46/588817346.db2.gz CVWBZIQHORWTJK-RKDXNWHRSA-N 1 2 225.267 1.349 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(F)CCCC1 ZINC000855136490 588823498 /nfs/dbraw/zinc/82/34/98/588823498.db2.gz RCIAIGCEHSNJFC-UHFFFAOYSA-N 1 2 225.267 1.650 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(F)CCCC1 ZINC000855136490 588823499 /nfs/dbraw/zinc/82/34/99/588823499.db2.gz RCIAIGCEHSNJFC-UHFFFAOYSA-N 1 2 225.267 1.650 20 0 BDADLO CC(C)[C@@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000113241021 588827967 /nfs/dbraw/zinc/82/79/67/588827967.db2.gz NVOUXHAHYDUOLT-LLVKDONJSA-N 1 2 242.388 1.497 20 0 BDADLO C/C=C\C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000855340938 588828672 /nfs/dbraw/zinc/82/86/72/588828672.db2.gz VLTPPQAUYYYUPQ-KXFIGUGUSA-N 1 2 245.326 1.874 20 0 BDADLO C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C ZINC000855416733 588831935 /nfs/dbraw/zinc/83/19/35/588831935.db2.gz ZIRKNOGCMOERGH-NKWVEPMBSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@@H](CCNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000855416733 588831936 /nfs/dbraw/zinc/83/19/36/588831936.db2.gz ZIRKNOGCMOERGH-NKWVEPMBSA-N 1 2 244.232 1.343 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1C=CCC1 ZINC000855422815 588832885 /nfs/dbraw/zinc/83/28/85/588832885.db2.gz YLAVYSZCQMIUDG-LLVKDONJSA-N 1 2 241.294 1.712 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000890768426 582545011 /nfs/dbraw/zinc/54/50/11/582545011.db2.gz BAYXCVPJCFLHEG-VXGBXAGGSA-N 1 2 233.315 1.744 20 0 BDADLO CCCONC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000844087062 582569753 /nfs/dbraw/zinc/56/97/53/582569753.db2.gz GFPRZMFZORXXGT-UHFFFAOYSA-N 1 2 247.298 1.953 20 0 BDADLO Cc1cc(N2CC(O)(c3ccccc3)C2)nc[nH+]1 ZINC000804836684 582578998 /nfs/dbraw/zinc/57/89/98/582578998.db2.gz GEUUFZYZCWVHLT-UHFFFAOYSA-N 1 2 241.294 1.493 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)N(C)C ZINC000890855035 582581553 /nfs/dbraw/zinc/58/15/53/582581553.db2.gz LTDJCFWSJNCEGB-UHFFFAOYSA-N 1 2 232.287 1.414 20 0 BDADLO CC(C)c1nc(NCc2cnn(C)n2)cc[nH+]1 ZINC000804849475 582609415 /nfs/dbraw/zinc/60/94/15/582609415.db2.gz OBNOKUZMAJLFDX-UHFFFAOYSA-N 1 2 232.291 1.341 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncnc2)[C@@H](CC)CO1 ZINC000846026096 582642823 /nfs/dbraw/zinc/64/28/23/582642823.db2.gz CDRDZBHEVZRXRB-STQMWFEESA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncnc2)[C@@H](CC)CO1 ZINC000846026096 582642826 /nfs/dbraw/zinc/64/28/26/582642826.db2.gz CDRDZBHEVZRXRB-STQMWFEESA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000891410983 582680687 /nfs/dbraw/zinc/68/06/87/582680687.db2.gz XBKWBHOMNMAGFP-QMMMGPOBSA-N 1 2 210.281 1.018 20 0 BDADLO CCc1cc(N2CCC[C@@H](O)C2)nc(CC)[nH+]1 ZINC000891430917 582683691 /nfs/dbraw/zinc/68/36/91/582683691.db2.gz LRZAPVNWFOUNNY-LLVKDONJSA-N 1 2 235.331 1.563 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000891451164 582689887 /nfs/dbraw/zinc/68/98/87/582689887.db2.gz OINFVRMUENDZCF-NSHDSACASA-N 1 2 221.304 1.175 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000891451164 582689889 /nfs/dbraw/zinc/68/98/89/582689889.db2.gz OINFVRMUENDZCF-NSHDSACASA-N 1 2 221.304 1.175 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2COC3(CCC3)C2)c[nH+]1 ZINC000855668151 588844698 /nfs/dbraw/zinc/84/46/98/588844698.db2.gz NTHKVCPSZVJSTP-VIFPVBQESA-N 1 2 235.287 1.160 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000891544071 582695821 /nfs/dbraw/zinc/69/58/21/582695821.db2.gz VMZOJUGEDAGXSZ-SNVBAGLBSA-N 1 2 225.288 1.899 20 0 BDADLO CCOc1ccc(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000891544071 582695823 /nfs/dbraw/zinc/69/58/23/582695823.db2.gz VMZOJUGEDAGXSZ-SNVBAGLBSA-N 1 2 225.288 1.899 20 0 BDADLO CCCNC(=O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000891558951 582696565 /nfs/dbraw/zinc/69/65/65/582696565.db2.gz YYVZIIPURYXGAK-SECBINFHSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@H](Cn1cccn1)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891793356 582721775 /nfs/dbraw/zinc/72/17/75/582721775.db2.gz KSNBBGXXLZTMDG-MNOVXSKESA-N 1 2 246.314 1.832 20 0 BDADLO COCCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892035485 582768363 /nfs/dbraw/zinc/76/83/63/582768363.db2.gz ACXITBUHBJEROI-UHFFFAOYSA-N 1 2 224.308 1.015 20 0 BDADLO COCCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892035485 582768364 /nfs/dbraw/zinc/76/83/64/582768364.db2.gz ACXITBUHBJEROI-UHFFFAOYSA-N 1 2 224.308 1.015 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000892075255 582785936 /nfs/dbraw/zinc/78/59/36/582785936.db2.gz GKCGBGVHIHQGMT-NSHDSACASA-N 1 2 235.331 1.686 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000892075255 582785937 /nfs/dbraw/zinc/78/59/37/582785937.db2.gz GKCGBGVHIHQGMT-NSHDSACASA-N 1 2 235.331 1.686 20 0 BDADLO c1cn(C2CC2)c(C[N@@H+]2CCc3c[nH]nc3C2)n1 ZINC000892091692 582789462 /nfs/dbraw/zinc/78/94/62/582789462.db2.gz NDBFYYLZZVUNSJ-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO c1cn(C2CC2)c(C[N@H+]2CCc3c[nH]nc3C2)n1 ZINC000892091692 582789463 /nfs/dbraw/zinc/78/94/63/582789463.db2.gz NDBFYYLZZVUNSJ-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO CC[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000855876912 588852615 /nfs/dbraw/zinc/85/26/15/588852615.db2.gz LMBRYNNESXBNDN-LBPRGKRZSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892253975 582814233 /nfs/dbraw/zinc/81/42/33/582814233.db2.gz IXSASKRMQRBOTH-SECBINFHSA-N 1 2 206.293 1.389 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892253975 582814234 /nfs/dbraw/zinc/81/42/34/582814234.db2.gz IXSASKRMQRBOTH-SECBINFHSA-N 1 2 206.293 1.389 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000125605874 582825682 /nfs/dbraw/zinc/82/56/82/582825682.db2.gz MCWNYQQWMLSKKK-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000125605874 582825684 /nfs/dbraw/zinc/82/56/84/582825684.db2.gz MCWNYQQWMLSKKK-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO C[C@H](O)c1cccc(NCC(C)(C)O)[nH+]1 ZINC000892308558 582834366 /nfs/dbraw/zinc/83/43/66/582834366.db2.gz PTNXXDDEZVUIGQ-QMMMGPOBSA-N 1 2 210.277 1.318 20 0 BDADLO CN(CC1CCC1)c1nccn2c[nH+]cc12 ZINC000892466199 582893206 /nfs/dbraw/zinc/89/32/06/582893206.db2.gz LBJFCGBZFLLGJW-UHFFFAOYSA-N 1 2 216.288 1.966 20 0 BDADLO C[C@H](O)c1cccc(NC[C@@](C)(O)C2CC2)[nH+]1 ZINC000892482829 582896977 /nfs/dbraw/zinc/89/69/77/582896977.db2.gz ZKLOJNCMKCDGRY-TVQRCGJNSA-N 1 2 236.315 1.708 20 0 BDADLO CCc1cc(N[C@@H]2CCN(C)C2=O)nc(CC)[nH+]1 ZINC000892621223 582931729 /nfs/dbraw/zinc/93/17/29/582931729.db2.gz IOQXYFCPGKMAEF-SNVBAGLBSA-N 1 2 248.330 1.244 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3[C@H](C2)C3(C)C)nc[nH+]1 ZINC000892681452 582952618 /nfs/dbraw/zinc/95/26/18/582952618.db2.gz JCEOXJKABTVITQ-AOOOYVTPSA-N 1 2 232.331 1.635 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3[C@H](C2)C3(C)C)[nH+]cn1 ZINC000892681452 582952623 /nfs/dbraw/zinc/95/26/23/582952623.db2.gz JCEOXJKABTVITQ-AOOOYVTPSA-N 1 2 232.331 1.635 20 0 BDADLO CC1(C)[C@@H]2CN(c3nccn4c[nH+]cc34)C[C@@H]21 ZINC000892682355 582953102 /nfs/dbraw/zinc/95/31/02/582953102.db2.gz XRTVCSLSXCYKCV-AOOOYVTPSA-N 1 2 228.299 1.822 20 0 BDADLO C/C(=C/C(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000856276749 588866547 /nfs/dbraw/zinc/86/65/47/588866547.db2.gz CNPKKZQPYZLLTR-QROTZFDESA-N 1 2 233.315 1.954 20 0 BDADLO CCC/C=C/C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856276909 588866628 /nfs/dbraw/zinc/86/66/28/588866628.db2.gz UAQRBLSSHWBAQI-VQCYPWCPSA-N 1 2 221.304 1.954 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000851866455 582973511 /nfs/dbraw/zinc/97/35/11/582973511.db2.gz PNUBDVQCEXWIDZ-VHSXEESVSA-N 1 2 238.335 1.396 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000851866455 582973513 /nfs/dbraw/zinc/97/35/13/582973513.db2.gz PNUBDVQCEXWIDZ-VHSXEESVSA-N 1 2 238.335 1.396 20 0 BDADLO CCc1nc([C@H](C)N2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000851876821 582975041 /nfs/dbraw/zinc/97/50/41/582975041.db2.gz OUDPPJOZGYOXQB-ZJUUUORDSA-N 1 2 237.351 1.064 20 0 BDADLO CCc1nc([C@H](C)N2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000851876821 582975042 /nfs/dbraw/zinc/97/50/42/582975042.db2.gz OUDPPJOZGYOXQB-ZJUUUORDSA-N 1 2 237.351 1.064 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC1(C)C)c1[nH+]ccn1C ZINC000856281258 588866817 /nfs/dbraw/zinc/86/68/17/588866817.db2.gz NHIYWUMOKXKWIX-BDAKNGLRSA-N 1 2 221.304 1.643 20 0 BDADLO Cc1coc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000892781394 582980175 /nfs/dbraw/zinc/98/01/75/582980175.db2.gz XEURQXUWCYFUPE-UHFFFAOYSA-N 1 2 220.228 1.679 20 0 BDADLO CCC(CC)([NH2+]C[C@H]1CCC(=O)O1)C(=O)OC ZINC000851934094 582981246 /nfs/dbraw/zinc/98/12/46/582981246.db2.gz YDMDRFKEDOBMMI-SECBINFHSA-N 1 2 243.303 1.013 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc(NC)nc[nH+]1 ZINC000892845718 582995232 /nfs/dbraw/zinc/99/52/32/582995232.db2.gz DCEZXOLUYSOAOV-QMMMGPOBSA-N 1 2 238.291 1.129 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CCOC2)[nH+]1 ZINC000892953814 583018169 /nfs/dbraw/zinc/01/81/69/583018169.db2.gz KUNRUDFATCUKEB-BDAKNGLRSA-N 1 2 208.261 1.336 20 0 BDADLO CCc1cc(N[C@H]2CCOC2)nc(CC)[nH+]1 ZINC000892953569 583018362 /nfs/dbraw/zinc/01/83/62/583018362.db2.gz BFSBXMFFRJGFGE-JTQLQIEISA-N 1 2 221.304 1.802 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](CO)CC2CC2)[nH+]1 ZINC000892976980 583024169 /nfs/dbraw/zinc/02/41/69/583024169.db2.gz LIKNPHILZWSTBF-GXSJLCMTSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@H](C)CO1)c1[nH+]ccn1C ZINC000893045644 583037198 /nfs/dbraw/zinc/03/71/98/583037198.db2.gz ZMUXIJZBPATXIW-LPEHRKFASA-N 1 2 237.303 1.022 20 0 BDADLO CN(C)c1cc(N2CCOC3(CCC3)C2)nc[nH+]1 ZINC000893055660 583038421 /nfs/dbraw/zinc/03/84/21/583038421.db2.gz OFIXGIYOFKEBLZ-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO CN(C)c1cc(N2CCOC3(CCC3)C2)[nH+]cn1 ZINC000893055660 583038423 /nfs/dbraw/zinc/03/84/23/583038423.db2.gz OFIXGIYOFKEBLZ-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@H](O)C2)nc(C2CCC2)[nH+]1 ZINC000893078731 583042557 /nfs/dbraw/zinc/04/25/57/583042557.db2.gz GBSBMTCSMWLWPB-JOYOIKCWSA-N 1 2 247.342 1.870 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)CCO1 ZINC000893087610 583046844 /nfs/dbraw/zinc/04/68/44/583046844.db2.gz DNZWZPNMZDAFBG-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)CCO1 ZINC000893087610 583046846 /nfs/dbraw/zinc/04/68/46/583046846.db2.gz DNZWZPNMZDAFBG-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO Cc1cc(F)ncc1C[NH2+]Cc1ccon1 ZINC000893098659 583049228 /nfs/dbraw/zinc/04/92/28/583049228.db2.gz QTCIZDMYIUBJDO-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c(=O)o1 ZINC000853498472 583058398 /nfs/dbraw/zinc/05/83/98/583058398.db2.gz BUKGOAHHSPVSLV-NSHDSACASA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c(=O)o1 ZINC000853498472 583058400 /nfs/dbraw/zinc/05/84/00/583058400.db2.gz BUKGOAHHSPVSLV-NSHDSACASA-N 1 2 239.319 1.470 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](CO)CC(F)F)[nH+]1 ZINC000893490003 583153223 /nfs/dbraw/zinc/15/32/23/583153223.db2.gz LGFGJWRJAUSMAV-JGVFFNPUSA-N 1 2 246.257 1.563 20 0 BDADLO CNc1cc(NCc2ccc(OC)cn2)nc[nH+]1 ZINC000893522649 583156521 /nfs/dbraw/zinc/15/65/21/583156521.db2.gz ZLGVCXSISQPJMY-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO CNc1cc(NCc2ccc(OC)cn2)[nH+]cn1 ZINC000893522649 583156523 /nfs/dbraw/zinc/15/65/23/583156523.db2.gz ZLGVCXSISQPJMY-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO Cc1conc1C(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893533438 583158276 /nfs/dbraw/zinc/15/82/76/583158276.db2.gz JEGCWODUARDAOQ-VIFPVBQESA-N 1 2 247.254 1.790 20 0 BDADLO CO[C@@]1(C)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893592112 583168779 /nfs/dbraw/zinc/16/87/79/583168779.db2.gz INEGKQOXJPSYMS-ZDUSSCGKSA-N 1 2 246.314 1.735 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)nc2Cl)CCCO1 ZINC000857016247 588881755 /nfs/dbraw/zinc/88/17/55/588881755.db2.gz OXSAQSZGGRLXAC-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2Cl)CCCO1 ZINC000857016247 588881756 /nfs/dbraw/zinc/88/17/56/588881756.db2.gz OXSAQSZGGRLXAC-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(C[N@H+](CCCO)C2CC2)c(Cl)n1 ZINC000857020997 588882491 /nfs/dbraw/zinc/88/24/91/588882491.db2.gz IBHSUFDCWLWENS-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(C[N@@H+](CCCO)C2CC2)c(Cl)n1 ZINC000857020997 588882492 /nfs/dbraw/zinc/88/24/92/588882492.db2.gz IBHSUFDCWLWENS-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@@H]2CCCO2)c(Cl)n1 ZINC000857038896 588883524 /nfs/dbraw/zinc/88/35/24/588883524.db2.gz HWRQFHMVLPZBPS-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@@H]2CCCO2)c(Cl)n1 ZINC000857038896 588883525 /nfs/dbraw/zinc/88/35/25/588883525.db2.gz HWRQFHMVLPZBPS-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CN(C)c1cc(N2CCC[C@H](F)C2)nc[nH+]1 ZINC000893677228 583195757 /nfs/dbraw/zinc/19/57/57/583195757.db2.gz QYJJBYISPBJNKT-VIFPVBQESA-N 1 2 224.283 1.481 20 0 BDADLO CN(C)c1cc(N2CCC[C@H](F)C2)[nH+]cn1 ZINC000893677228 583195758 /nfs/dbraw/zinc/19/57/58/583195758.db2.gz QYJJBYISPBJNKT-VIFPVBQESA-N 1 2 224.283 1.481 20 0 BDADLO C[C@H](CO)N(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000893739988 583216218 /nfs/dbraw/zinc/21/62/18/583216218.db2.gz MDQPBTCCZVAJFE-LLVKDONJSA-N 1 2 243.310 1.961 20 0 BDADLO CCc1cc(N(C)[C@@H](C)CO)nc(CC)[nH+]1 ZINC000893726544 583216592 /nfs/dbraw/zinc/21/65/92/583216592.db2.gz MQRYLVVYJYUZSI-VIFPVBQESA-N 1 2 223.320 1.418 20 0 BDADLO CC[N@H+](CCO)Cc1nc(C(C)C)c[nH]1 ZINC000893872902 583238979 /nfs/dbraw/zinc/23/89/79/583238979.db2.gz YEOMHFBRJVNYHK-UHFFFAOYSA-N 1 2 211.309 1.347 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(C(C)C)c[nH]1 ZINC000893872902 583238981 /nfs/dbraw/zinc/23/89/81/583238981.db2.gz YEOMHFBRJVNYHK-UHFFFAOYSA-N 1 2 211.309 1.347 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000893917797 583246744 /nfs/dbraw/zinc/24/67/44/583246744.db2.gz YAQFTTIJIMJUBL-JTQLQIEISA-N 1 2 221.304 1.193 20 0 BDADLO Cc1ccnc(N)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000893917797 583246745 /nfs/dbraw/zinc/24/67/45/583246745.db2.gz YAQFTTIJIMJUBL-JTQLQIEISA-N 1 2 221.304 1.193 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893916912 583246814 /nfs/dbraw/zinc/24/68/14/583246814.db2.gz QXOIOSWLCTXLRO-KXUCPTDWSA-N 1 2 224.304 1.970 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000893923845 583249359 /nfs/dbraw/zinc/24/93/59/583249359.db2.gz OCDRRILTJRMROL-UHFFFAOYSA-N 1 2 211.309 1.611 20 0 BDADLO COCC[N@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000893923845 583249358 /nfs/dbraw/zinc/24/93/58/583249358.db2.gz OCDRRILTJRMROL-UHFFFAOYSA-N 1 2 211.309 1.611 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(SC)o1 ZINC000893940909 583254525 /nfs/dbraw/zinc/25/45/25/583254525.db2.gz SQLIIIXXLXCBJI-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(SC)o1 ZINC000893940909 583254526 /nfs/dbraw/zinc/25/45/26/583254526.db2.gz SQLIIIXXLXCBJI-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOC(C)(C)C2)c1C ZINC000893961913 583255753 /nfs/dbraw/zinc/25/57/53/583255753.db2.gz GPMJWZOBUZZBGN-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOC(C)(C)C2)c1C ZINC000893961913 583255756 /nfs/dbraw/zinc/25/57/56/583255756.db2.gz GPMJWZOBUZZBGN-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncnn2C)nc1 ZINC000893964185 583258668 /nfs/dbraw/zinc/25/86/68/583258668.db2.gz NVPRKGBOJCVOOJ-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COCC(C)(C)CNc1cc(N(C)C)nc[nH+]1 ZINC000893950398 583260340 /nfs/dbraw/zinc/26/03/40/583260340.db2.gz CTYYXFVIYDNUHI-UHFFFAOYSA-N 1 2 238.335 1.627 20 0 BDADLO COCC(C)(C)CNc1cc(N(C)C)[nH+]cn1 ZINC000893950398 583260342 /nfs/dbraw/zinc/26/03/42/583260342.db2.gz CTYYXFVIYDNUHI-UHFFFAOYSA-N 1 2 238.335 1.627 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2nc(C)no2)c(C)n1 ZINC000893971359 583264139 /nfs/dbraw/zinc/26/41/39/583264139.db2.gz DKACWLBQZROMNI-VIFPVBQESA-N 1 2 249.318 1.754 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1nccc2c1CCCC2 ZINC000893964491 583266611 /nfs/dbraw/zinc/26/66/11/583266611.db2.gz ARAUWLRTHURGIX-UHFFFAOYSA-N 1 2 247.342 1.268 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1nccc2c1CCCC2 ZINC000893964491 583266616 /nfs/dbraw/zinc/26/66/16/583266616.db2.gz ARAUWLRTHURGIX-UHFFFAOYSA-N 1 2 247.342 1.268 20 0 BDADLO CCc1cc(N(CC)[C@@H](C)CO)nc(CC)[nH+]1 ZINC000893992595 583267059 /nfs/dbraw/zinc/26/70/59/583267059.db2.gz ZTPMNPDHOHTVPW-JTQLQIEISA-N 1 2 237.347 1.809 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CCCOCC2)n1 ZINC000893995172 583267571 /nfs/dbraw/zinc/26/75/71/583267571.db2.gz OJBYLAJLXMSLMH-UHFFFAOYSA-N 1 2 223.320 1.755 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CCCOCC2)n1 ZINC000893995172 583267573 /nfs/dbraw/zinc/26/75/73/583267573.db2.gz OJBYLAJLXMSLMH-UHFFFAOYSA-N 1 2 223.320 1.755 20 0 BDADLO CCc1cc(N2CC3(C2)CCOC3)nc(CC)[nH+]1 ZINC000894001073 583271725 /nfs/dbraw/zinc/27/17/25/583271725.db2.gz NWXKCRUOXOQBBF-UHFFFAOYSA-N 1 2 247.342 1.828 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1C ZINC000894033809 583277352 /nfs/dbraw/zinc/27/73/52/583277352.db2.gz KCMZEISPVFILRZ-SKDRFNHKSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1C ZINC000894033809 583277354 /nfs/dbraw/zinc/27/73/54/583277354.db2.gz KCMZEISPVFILRZ-SKDRFNHKSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000894026227 583281079 /nfs/dbraw/zinc/28/10/79/583281079.db2.gz JZUOOSHWUWWOBP-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000894026227 583281081 /nfs/dbraw/zinc/28/10/81/583281081.db2.gz JZUOOSHWUWWOBP-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO CCc1cc(N2CCC[C@@H]2C(N)=O)nc(CC)[nH+]1 ZINC000894079943 583298236 /nfs/dbraw/zinc/29/82/36/583298236.db2.gz SYVCKUURCJVYOF-SNVBAGLBSA-N 1 2 248.330 1.056 20 0 BDADLO CCc1nc(CNc2cc(N(C)C)nc[nH+]2)co1 ZINC000894098589 583303337 /nfs/dbraw/zinc/30/33/37/583303337.db2.gz WGULEZSFWSKKMZ-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO CCc1nc(CNc2cc(N(C)C)[nH+]cn2)co1 ZINC000894098589 583303340 /nfs/dbraw/zinc/30/33/40/583303340.db2.gz WGULEZSFWSKKMZ-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO CCC1(CNc2cccc([C@@H](C)O)[nH+]2)COC1 ZINC000894100202 583304931 /nfs/dbraw/zinc/30/49/31/583304931.db2.gz WYLNARLQUXGFRA-SNVBAGLBSA-N 1 2 236.315 1.973 20 0 BDADLO C[C@@H](O)c1cccc(NCCc2cn(C)c[nH+]2)n1 ZINC000894150670 583319400 /nfs/dbraw/zinc/31/94/00/583319400.db2.gz DYZIFNQBFKDICB-SNVBAGLBSA-N 1 2 246.314 1.523 20 0 BDADLO CC1C[NH+](Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000894159997 583322136 /nfs/dbraw/zinc/32/21/36/583322136.db2.gz YNGFAQSHHLCHEF-UHFFFAOYSA-N 1 2 248.355 1.995 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc2c1OCC2 ZINC000894166740 583323691 /nfs/dbraw/zinc/32/36/91/583323691.db2.gz FZFMQVIBEKJTJL-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2c1OCC2 ZINC000894166740 583323694 /nfs/dbraw/zinc/32/36/94/583323694.db2.gz FZFMQVIBEKJTJL-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO O=S1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878092937 583361315 /nfs/dbraw/zinc/36/13/15/583361315.db2.gz CCHGDQLWAFGEDM-NSHDSACASA-N 1 2 243.372 1.152 20 0 BDADLO C[C@H](c1ccccc1F)[N@@H+]1CCCNC(=O)C1 ZINC000726790134 583374189 /nfs/dbraw/zinc/37/41/89/583374189.db2.gz AANVMTVEHFOVKR-SNVBAGLBSA-N 1 2 236.290 1.709 20 0 BDADLO C[C@H](c1ccccc1F)[N@H+]1CCCNC(=O)C1 ZINC000726790134 583374192 /nfs/dbraw/zinc/37/41/92/583374192.db2.gz AANVMTVEHFOVKR-SNVBAGLBSA-N 1 2 236.290 1.709 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493571 583375789 /nfs/dbraw/zinc/37/57/89/583375789.db2.gz PSTSTFGBMNPSTD-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493571 583375792 /nfs/dbraw/zinc/37/57/92/583375792.db2.gz PSTSTFGBMNPSTD-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO CCn1cc(CNc2ccc(CO)c[nH+]2)c(C)n1 ZINC000894226915 583383843 /nfs/dbraw/zinc/38/38/43/583383843.db2.gz OQRBHIBBMMUSHT-UHFFFAOYSA-N 1 2 246.314 1.711 20 0 BDADLO CCc1cc(N[C@H]2C[C@@](C)(O)C2)nc(CC)[nH+]1 ZINC000894230473 583384504 /nfs/dbraw/zinc/38/45/04/583384504.db2.gz GVYTUFFVDQGZEW-GSJFWJNXSA-N 1 2 235.331 1.927 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000878651655 583388887 /nfs/dbraw/zinc/38/88/87/583388887.db2.gz CHTXZDSIGYJRBH-QWRGUYRKSA-N 1 2 233.315 1.669 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000878651655 583388889 /nfs/dbraw/zinc/38/88/89/583388889.db2.gz CHTXZDSIGYJRBH-QWRGUYRKSA-N 1 2 233.315 1.669 20 0 BDADLO CN(CC[N@H+](C)CN1CCC1=O)c1ccccc1 ZINC000857233176 588898483 /nfs/dbraw/zinc/89/84/83/588898483.db2.gz YSEAWQLCIATJPC-UHFFFAOYSA-N 1 2 247.342 1.244 20 0 BDADLO CN(CC[N@@H+](C)CN1CCC1=O)c1ccccc1 ZINC000857233176 588898485 /nfs/dbraw/zinc/89/84/85/588898485.db2.gz YSEAWQLCIATJPC-UHFFFAOYSA-N 1 2 247.342 1.244 20 0 BDADLO CC[C@@H](C)C[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894354677 583434348 /nfs/dbraw/zinc/43/43/48/583434348.db2.gz XHWCFQKFNKPSAV-NXEZZACHSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@@H](C)C[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894354677 583434349 /nfs/dbraw/zinc/43/43/49/583434349.db2.gz XHWCFQKFNKPSAV-NXEZZACHSA-N 1 2 238.335 1.727 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563289 583438482 /nfs/dbraw/zinc/43/84/82/583438482.db2.gz BSFRTHPKUCERLW-ZJUUUORDSA-N 1 2 238.360 1.032 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563289 583438483 /nfs/dbraw/zinc/43/84/83/583438483.db2.gz BSFRTHPKUCERLW-ZJUUUORDSA-N 1 2 238.360 1.032 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]cn1 ZINC000894388783 583445564 /nfs/dbraw/zinc/44/55/64/583445564.db2.gz LMNWMNWCWKCQEF-BBBLOLIVSA-N 1 2 234.303 1.274 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc[nH+]1 ZINC000894388783 583445565 /nfs/dbraw/zinc/44/55/65/583445565.db2.gz LMNWMNWCWKCQEF-BBBLOLIVSA-N 1 2 234.303 1.274 20 0 BDADLO O=C1CCN1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000857234983 588899448 /nfs/dbraw/zinc/89/94/48/588899448.db2.gz OLQHWUHSEGUOPK-UHFFFAOYSA-N 1 2 236.237 1.451 20 0 BDADLO CC1=C(c2ccco2)C[N@H+](CN2CCC2=O)CC1 ZINC000857236102 588899842 /nfs/dbraw/zinc/89/98/42/588899842.db2.gz WBIJDCKMAVYDLH-UHFFFAOYSA-N 1 2 246.310 1.949 20 0 BDADLO CC1=C(c2ccco2)C[N@@H+](CN2CCC2=O)CC1 ZINC000857236102 588899844 /nfs/dbraw/zinc/89/98/44/588899844.db2.gz WBIJDCKMAVYDLH-UHFFFAOYSA-N 1 2 246.310 1.949 20 0 BDADLO CCOCC[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879982805 583452410 /nfs/dbraw/zinc/45/24/10/583452410.db2.gz MPXXIZJRIFVCEE-LLVKDONJSA-N 1 2 229.320 1.344 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)nc1 ZINC000894468307 583468439 /nfs/dbraw/zinc/46/84/39/583468439.db2.gz VGUFRMIOHPEEMB-MRVPVSSYSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1cc(N[C@H]2CCNC2=O)nc(C2CCC2)[nH+]1 ZINC000894474944 583469969 /nfs/dbraw/zinc/46/99/69/583469969.db2.gz POAFTXKEOHYBIB-JTQLQIEISA-N 1 2 246.314 1.353 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nccs1 ZINC000894521952 583476642 /nfs/dbraw/zinc/47/66/42/583476642.db2.gz WIWOTYGLTKUJSO-ZJUUUORDSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nccs1 ZINC000894521952 583476645 /nfs/dbraw/zinc/47/66/45/583476645.db2.gz WIWOTYGLTKUJSO-ZJUUUORDSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H]1C[N@H+](CCNc2nccs2)[C@@H](C)CO1 ZINC000894521951 583477014 /nfs/dbraw/zinc/47/70/14/583477014.db2.gz WIWOTYGLTKUJSO-VHSXEESVSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H]1C[N@@H+](CCNc2nccs2)[C@@H](C)CO1 ZINC000894521951 583477015 /nfs/dbraw/zinc/47/70/15/583477015.db2.gz WIWOTYGLTKUJSO-VHSXEESVSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894532897 583478292 /nfs/dbraw/zinc/47/82/92/583478292.db2.gz JQYZGDSZPQXSQN-CYBMUJFWSA-N 1 2 237.347 1.763 20 0 BDADLO CC[C@]1(CO)CCC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894532897 583478293 /nfs/dbraw/zinc/47/82/93/583478293.db2.gz JQYZGDSZPQXSQN-CYBMUJFWSA-N 1 2 237.347 1.763 20 0 BDADLO CO[C@H]1C[N@H+](Cc2n[nH]c(C)c2C)CC[C@H]1C ZINC000894532965 583479181 /nfs/dbraw/zinc/47/91/81/583479181.db2.gz LRMZXMPEPYXBFO-RNCFNFMXSA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2n[nH]c(C)c2C)CC[C@H]1C ZINC000894532965 583479183 /nfs/dbraw/zinc/47/91/83/583479183.db2.gz LRMZXMPEPYXBFO-RNCFNFMXSA-N 1 2 237.347 1.883 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C(=O)OC ZINC000894539160 583479382 /nfs/dbraw/zinc/47/93/82/583479382.db2.gz PMZCZXMLEZQDGI-UTUOFQBUSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2[nH]nc(C)c2C)n1 ZINC000894541334 583480830 /nfs/dbraw/zinc/48/08/30/583480830.db2.gz BZCOGPFYOIIKHA-QMMMGPOBSA-N 1 2 235.291 1.569 20 0 BDADLO COC(=O)N1CC(C)([NH2+]Cc2nccs2)C1 ZINC000894542550 583481633 /nfs/dbraw/zinc/48/16/33/583481633.db2.gz MXUVLDJAUMHJKW-UHFFFAOYSA-N 1 2 241.316 1.073 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000894566754 583484941 /nfs/dbraw/zinc/48/49/41/583484941.db2.gz ODDLREMBNANPGN-ZBEGNZNMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000894566754 583484942 /nfs/dbraw/zinc/48/49/42/583484942.db2.gz ODDLREMBNANPGN-ZBEGNZNMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000894566751 583484962 /nfs/dbraw/zinc/48/49/62/583484962.db2.gz ODDLREMBNANPGN-BDJLRTHQSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000894566751 583484963 /nfs/dbraw/zinc/48/49/63/583484963.db2.gz ODDLREMBNANPGN-BDJLRTHQSA-N 1 2 241.356 1.788 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000894572538 583485720 /nfs/dbraw/zinc/48/57/20/583485720.db2.gz LLMUNRBAHOXLDX-VHSXEESVSA-N 1 2 232.287 1.079 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc[nH+]1 ZINC000792116764 583486003 /nfs/dbraw/zinc/48/60/03/583486003.db2.gz CTAZGKWBMUQUNA-YUSALJHKSA-N 1 2 248.282 1.132 20 0 BDADLO Cc1n[nH]c(CN(C)Cc2[nH]cc[nH+]2)c1C ZINC000894586176 583489060 /nfs/dbraw/zinc/48/90/60/583489060.db2.gz AZRIIDOTVYSHGG-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO Cc1ncc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000894586393 583489131 /nfs/dbraw/zinc/48/91/31/583489131.db2.gz DYPXSECQVUIXSO-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000894592189 583492327 /nfs/dbraw/zinc/49/23/27/583492327.db2.gz DEDXOWJWYDJXAZ-NXEZZACHSA-N 1 2 218.304 1.389 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3C[C@@H]3C2)[nH+]cn1 ZINC000894592189 583492330 /nfs/dbraw/zinc/49/23/30/583492330.db2.gz DEDXOWJWYDJXAZ-NXEZZACHSA-N 1 2 218.304 1.389 20 0 BDADLO CCc1cc(NCCOCCF)nc(CC)[nH+]1 ZINC000894650261 583500598 /nfs/dbraw/zinc/50/05/98/583500598.db2.gz ZCOUUMGWHRPQMN-UHFFFAOYSA-N 1 2 241.310 1.999 20 0 BDADLO CCn1nccc1CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894656929 583501212 /nfs/dbraw/zinc/50/12/12/583501212.db2.gz UGUXXNNWORICQY-SNVBAGLBSA-N 1 2 246.314 1.963 20 0 BDADLO Cn1ncc(C[NH2+]C(CF)CF)c1C1CC1 ZINC000894665861 583502562 /nfs/dbraw/zinc/50/25/62/583502562.db2.gz BDLDHCMKFBQYHM-UHFFFAOYSA-N 1 2 229.274 1.695 20 0 BDADLO FCC(CF)[NH2+]Cc1cn2ccnc2s1 ZINC000894668067 583503148 /nfs/dbraw/zinc/50/31/48/583503148.db2.gz PAABMKVGQRBGDE-UHFFFAOYSA-N 1 2 231.271 1.793 20 0 BDADLO CC(C)c1c[nH]c(CN2CC[C@](F)(CO)C2)[nH+]1 ZINC000894686091 583507235 /nfs/dbraw/zinc/50/72/35/583507235.db2.gz AIATXLIXXFEVHG-GFCCVEGCSA-N 1 2 241.310 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H]2C2CC2)s1 ZINC000894687276 583507274 /nfs/dbraw/zinc/50/72/74/583507274.db2.gz ALCKLGGPKGCVMV-VIFPVBQESA-N 1 2 209.318 1.831 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H]2C2CC2)s1 ZINC000894687276 583507275 /nfs/dbraw/zinc/50/72/75/583507275.db2.gz ALCKLGGPKGCVMV-VIFPVBQESA-N 1 2 209.318 1.831 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000894686461 583507281 /nfs/dbraw/zinc/50/72/81/583507281.db2.gz OAQVZMPYBOIMTJ-NSHDSACASA-N 1 2 213.252 1.494 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000894686461 583507282 /nfs/dbraw/zinc/50/72/82/583507282.db2.gz OAQVZMPYBOIMTJ-NSHDSACASA-N 1 2 213.252 1.494 20 0 BDADLO CCc1cc(N2CC3(C2)CCCO3)nc(CC)[nH+]1 ZINC000894730078 583513273 /nfs/dbraw/zinc/51/32/73/583513273.db2.gz DLRPQSHPUDTDDT-UHFFFAOYSA-N 1 2 247.342 1.971 20 0 BDADLO CN(C)c1cc(N(C)CC2(C)COC2)nc[nH+]1 ZINC000894726097 583515329 /nfs/dbraw/zinc/51/53/29/583515329.db2.gz PEGOPKVEJYKBJI-UHFFFAOYSA-N 1 2 236.319 1.015 20 0 BDADLO CN(C)c1cc(N(C)CC2(C)COC2)[nH+]cn1 ZINC000894726097 583515330 /nfs/dbraw/zinc/51/53/30/583515330.db2.gz PEGOPKVEJYKBJI-UHFFFAOYSA-N 1 2 236.319 1.015 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(F)c2N)[nH]1 ZINC000894777789 583519218 /nfs/dbraw/zinc/51/92/18/583519218.db2.gz LZDIZSLDIWKSMY-SSDOTTSWSA-N 1 2 249.293 1.685 20 0 BDADLO CN(C)c1cc(N[C@@H]2CO[C@H](C3CC3)C2)[nH+]cn1 ZINC000894778504 583519513 /nfs/dbraw/zinc/51/95/13/583519513.db2.gz QKQBBRUZLRABOV-QWRGUYRKSA-N 1 2 248.330 1.522 20 0 BDADLO CN(C)c1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc[nH+]1 ZINC000894778504 583519514 /nfs/dbraw/zinc/51/95/14/583519514.db2.gz QKQBBRUZLRABOV-QWRGUYRKSA-N 1 2 248.330 1.522 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccnc(F)c2C)[nH]1 ZINC000894778549 583519864 /nfs/dbraw/zinc/51/98/64/583519864.db2.gz RPMWOVAEQYFJQV-QMMMGPOBSA-N 1 2 249.293 1.806 20 0 BDADLO COC1C[NH+](C[C@@H]2C[C@@]2(C)Br)C1 ZINC000894818386 583524307 /nfs/dbraw/zinc/52/43/07/583524307.db2.gz CCTJEUIPWCUBEE-IONNQARKSA-N 1 2 234.137 1.491 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1ocnc1C ZINC000894817824 583524405 /nfs/dbraw/zinc/52/44/05/583524405.db2.gz MAEZGBUGHNZUBF-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1ocnc1C ZINC000894817824 583524406 /nfs/dbraw/zinc/52/44/06/583524406.db2.gz MAEZGBUGHNZUBF-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C)co1 ZINC000894819202 583524968 /nfs/dbraw/zinc/52/49/68/583524968.db2.gz VQUUGUYZMJKDOP-GFCCVEGCSA-N 1 2 239.315 1.825 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1cc(C)co1 ZINC000894819202 583524971 /nfs/dbraw/zinc/52/49/71/583524971.db2.gz VQUUGUYZMJKDOP-GFCCVEGCSA-N 1 2 239.315 1.825 20 0 BDADLO COC1C[NH+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000894818863 583525160 /nfs/dbraw/zinc/52/51/60/583525160.db2.gz GAAJLLTWPJXPID-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000894821708 583525491 /nfs/dbraw/zinc/52/54/91/583525491.db2.gz IRFMLKFXJOPMEI-UHFFFAOYSA-N 1 2 249.358 1.500 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000894862578 583537011 /nfs/dbraw/zinc/53/70/11/583537011.db2.gz ZEMAPIGYBATYAX-VHSXEESVSA-N 1 2 220.320 1.843 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000894862578 583537012 /nfs/dbraw/zinc/53/70/12/583537012.db2.gz ZEMAPIGYBATYAX-VHSXEESVSA-N 1 2 220.320 1.843 20 0 BDADLO CC(C)c1c[nH]c(CN(C2CC2)C2COC2)[nH+]1 ZINC000894869016 583538904 /nfs/dbraw/zinc/53/89/04/583538904.db2.gz LQBGKSVROLXHLY-UHFFFAOYSA-N 1 2 235.331 1.896 20 0 BDADLO FCC1([NH2+]Cc2c[nH]cn2)CCOCC1 ZINC000894881155 583543644 /nfs/dbraw/zinc/54/36/44/583543644.db2.gz SATNBUXMGUMNKX-UHFFFAOYSA-N 1 2 213.256 1.018 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ccc(F)cc1F ZINC000880486304 583544360 /nfs/dbraw/zinc/54/43/60/583544360.db2.gz NTCGNJCNAMPRCQ-LLVKDONJSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ccc(F)cc1F ZINC000880486304 583544361 /nfs/dbraw/zinc/54/43/61/583544361.db2.gz NTCGNJCNAMPRCQ-LLVKDONJSA-N 1 2 225.238 1.698 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000894925819 583556773 /nfs/dbraw/zinc/55/67/73/583556773.db2.gz ONFNYOZCFCCSEM-RQJHMYQMSA-N 1 2 229.305 1.140 20 0 BDADLO CNc1cc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)nc[nH+]1 ZINC000894922034 583556978 /nfs/dbraw/zinc/55/69/78/583556978.db2.gz NWNWXXKTVJPOQN-CDJGPZEFSA-N 1 2 246.314 1.354 20 0 BDADLO CNc1cc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)[nH+]cn1 ZINC000894922034 583556980 /nfs/dbraw/zinc/55/69/80/583556980.db2.gz NWNWXXKTVJPOQN-CDJGPZEFSA-N 1 2 246.314 1.354 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](CC3(F)CC3)C2)n[nH]1 ZINC000895013309 583568283 /nfs/dbraw/zinc/56/82/83/583568283.db2.gz RWRQPZUUTCACFF-SECBINFHSA-N 1 2 224.283 1.405 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](CC3(F)CC3)C2)n[nH]1 ZINC000895013309 583568284 /nfs/dbraw/zinc/56/82/84/583568284.db2.gz RWRQPZUUTCACFF-SECBINFHSA-N 1 2 224.283 1.405 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1C ZINC000895014222 583568537 /nfs/dbraw/zinc/56/85/37/583568537.db2.gz HVXMOJWVXMZRHV-NEPJUHHUSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1C ZINC000895014222 583568539 /nfs/dbraw/zinc/56/85/39/583568539.db2.gz HVXMOJWVXMZRHV-NEPJUHHUSA-N 1 2 237.347 1.619 20 0 BDADLO CC[C@@H](C)CONC(=O)NCc1cn(C)c[nH+]1 ZINC000895011205 583568552 /nfs/dbraw/zinc/56/85/52/583568552.db2.gz CPHWYELYVVRLAS-SECBINFHSA-N 1 2 240.307 1.197 20 0 BDADLO Cc1coc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000895014756 583568971 /nfs/dbraw/zinc/56/89/71/583568971.db2.gz NFDYAWLFGGDYTJ-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000895014756 583568972 /nfs/dbraw/zinc/56/89/72/583568972.db2.gz NFDYAWLFGGDYTJ-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1nc(N(C)Cc2ncccn2)c(C)c(C)[nH+]1 ZINC000895062753 583577330 /nfs/dbraw/zinc/57/73/30/583577330.db2.gz PWTCZALXJYESIS-UHFFFAOYSA-N 1 2 243.314 1.828 20 0 BDADLO O=C(NC/C=C/Cl)N[C@@H]1CCn2cc[nH+]c21 ZINC000895078961 583582405 /nfs/dbraw/zinc/58/24/05/583582405.db2.gz ZQHNITIGRNDLPE-YUQHSTNDSA-N 1 2 240.694 1.380 20 0 BDADLO OCc1cc[nH+]c(NC[C@H](O)c2ccco2)c1 ZINC000881802265 583585655 /nfs/dbraw/zinc/58/56/55/583585655.db2.gz ZGKLCCTVAIFEAV-JTQLQIEISA-N 1 2 234.255 1.312 20 0 BDADLO Cc1nonc1CNc1cccc([C@H](C)O)[nH+]1 ZINC000895091292 583586623 /nfs/dbraw/zinc/58/66/23/583586623.db2.gz CUUZGMSIMKUGTL-QMMMGPOBSA-N 1 2 234.259 1.438 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)on1 ZINC000895120571 583594501 /nfs/dbraw/zinc/59/45/01/583594501.db2.gz LMLSBKUTAGGBAC-OPRDCNLKSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)on1 ZINC000895120571 583594502 /nfs/dbraw/zinc/59/45/02/583594502.db2.gz LMLSBKUTAGGBAC-OPRDCNLKSA-N 1 2 237.303 1.080 20 0 BDADLO CO[C@H]1C[C@H](CNc2cccc([C@@H](C)O)[nH+]2)C1 ZINC000895131383 583601234 /nfs/dbraw/zinc/60/12/34/583601234.db2.gz HUSIFOXSBSRPRZ-GMTAPVOTSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1[nH+]cnc(NC[C@@]2(O)CCO[C@H]2C)c1C ZINC000882281495 583603534 /nfs/dbraw/zinc/60/35/34/583603534.db2.gz GOSNIIYALHCRQV-JQWIXIFHSA-N 1 2 237.303 1.045 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+][C@H]1CCCc3cn[nH]c31)CC2 ZINC000857868189 588916522 /nfs/dbraw/zinc/91/65/22/588916522.db2.gz QLNODJFHXDIEEG-QWRGUYRKSA-N 1 2 243.314 1.718 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)nn1 ZINC000857870254 588917545 /nfs/dbraw/zinc/91/75/45/588917545.db2.gz DKHOMDXCNCZKDX-LLVKDONJSA-N 1 2 246.318 1.188 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)nn1 ZINC000857870254 588917546 /nfs/dbraw/zinc/91/75/46/588917546.db2.gz DKHOMDXCNCZKDX-LLVKDONJSA-N 1 2 246.318 1.188 20 0 BDADLO CNc1cc(CNc2nccc(OC)n2)cc[nH+]1 ZINC000895255864 583633739 /nfs/dbraw/zinc/63/37/39/583633739.db2.gz QTPKDNAXZNIUGZ-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO NC(=[NH+]OCc1ccno1)c1ccccc1 ZINC000727400201 583640285 /nfs/dbraw/zinc/64/02/85/583640285.db2.gz RRGQXARBLFTTNA-UHFFFAOYSA-N 1 2 217.228 1.721 20 0 BDADLO c1cc(C[N@@H+]2CCc3n[nH]cc3C2)co1 ZINC000857875753 588918076 /nfs/dbraw/zinc/91/80/76/588918076.db2.gz AYNBGABQHLIQHS-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO c1cc(C[N@H+]2CCc3n[nH]cc3C2)co1 ZINC000857875753 588918077 /nfs/dbraw/zinc/91/80/77/588918077.db2.gz AYNBGABQHLIQHS-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@H]1CCCO1)C2 ZINC000857874438 588918249 /nfs/dbraw/zinc/91/82/49/588918249.db2.gz RFTQFZMCPBPILG-GFCCVEGCSA-N 1 2 204.273 1.576 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@H]1CCCO1)C2 ZINC000857874438 588918251 /nfs/dbraw/zinc/91/82/51/588918251.db2.gz RFTQFZMCPBPILG-GFCCVEGCSA-N 1 2 204.273 1.576 20 0 BDADLO CC1=NO[C@H](CNCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000895301687 583644117 /nfs/dbraw/zinc/64/41/17/583644117.db2.gz KAGKKLXRYAMSIE-JTQLQIEISA-N 1 2 222.292 1.281 20 0 BDADLO COC(=O)c1cnc(C[NH2+]C2CSC2)s1 ZINC000895316379 583648613 /nfs/dbraw/zinc/64/86/13/583648613.db2.gz IDJJTSOJYFXHJV-UHFFFAOYSA-N 1 2 244.341 1.135 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CC2(C)C)c1 ZINC000895347310 583654846 /nfs/dbraw/zinc/65/48/46/583654846.db2.gz VCSUYIVFISWBGM-VIFPVBQESA-N 1 2 222.292 1.018 20 0 BDADLO CO[C@H]1COCC[C@H]1N(C)c1cc[nH+]cc1F ZINC000882937340 583659679 /nfs/dbraw/zinc/65/96/79/583659679.db2.gz NATNBXKKMGLBEK-NEPJUHHUSA-N 1 2 240.278 1.461 20 0 BDADLO CCc1nc(N2CC=C[C@H]2CO)cc(C)[nH+]1 ZINC000882977892 583665808 /nfs/dbraw/zinc/66/58/08/583665808.db2.gz WGRGVYGGCHZLDG-JTQLQIEISA-N 1 2 219.288 1.085 20 0 BDADLO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CS(=O)(=O)C1 ZINC000895399206 583666106 /nfs/dbraw/zinc/66/61/06/583666106.db2.gz KWXYLKUSFHORDD-MXWKQRLJSA-N 1 2 243.372 1.151 20 0 BDADLO C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CS(=O)(=O)C1 ZINC000895399206 583666107 /nfs/dbraw/zinc/66/61/07/583666107.db2.gz KWXYLKUSFHORDD-MXWKQRLJSA-N 1 2 243.372 1.151 20 0 BDADLO Cc1cnc(C[N@@H+]2CCNC(=O)CC2(C)C)o1 ZINC000895400576 583666645 /nfs/dbraw/zinc/66/66/45/583666645.db2.gz SRMLZZXVEQYQKU-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cnc(C[N@H+]2CCNC(=O)CC2(C)C)o1 ZINC000895400576 583666646 /nfs/dbraw/zinc/66/66/46/583666646.db2.gz SRMLZZXVEQYQKU-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2cc(C)co2)CCO1 ZINC000895415905 583667514 /nfs/dbraw/zinc/66/75/14/583667514.db2.gz OTUXRFSFTAGMMJ-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2cc(C)co2)CCO1 ZINC000895415905 583667515 /nfs/dbraw/zinc/66/75/15/583667515.db2.gz OTUXRFSFTAGMMJ-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO CC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895432029 583670882 /nfs/dbraw/zinc/67/08/82/583670882.db2.gz ZNHKLWNNWFLERI-VIFPVBQESA-N 1 2 223.320 1.841 20 0 BDADLO Cn1cc[nH+]c1CN1CC[C@@H]1C(F)F ZINC000895436019 583674827 /nfs/dbraw/zinc/67/48/27/583674827.db2.gz KHDGCKZCKUOHLS-SSDOTTSWSA-N 1 2 201.220 1.260 20 0 BDADLO COC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895449491 583675574 /nfs/dbraw/zinc/67/55/74/583675574.db2.gz JVWOISDHPYZSSS-SNVBAGLBSA-N 1 2 239.319 1.078 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887855 588921093 /nfs/dbraw/zinc/92/10/93/588921093.db2.gz VFDAFUBZHYULBG-RZCNENHTSA-N 1 2 219.288 1.280 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](C3OCCO3)C2)c1C ZINC000895516308 583683068 /nfs/dbraw/zinc/68/30/68/583683068.db2.gz RWXAJBZGCCASOV-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO CC/C(C)=C(\C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885942 588921252 /nfs/dbraw/zinc/92/12/52/588921252.db2.gz BRFIHPYRRPCMCB-USKTWTLRSA-N 1 2 233.315 1.670 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C(F)=C1CCCC1 ZINC000857890674 588921290 /nfs/dbraw/zinc/92/12/90/588921290.db2.gz YHXJVWHZRWSFEN-JTQLQIEISA-N 1 2 249.289 1.722 20 0 BDADLO CCS(=O)(=O)N1c2cc[nH+]cc2C[C@@H]1C ZINC000857899365 588922084 /nfs/dbraw/zinc/92/20/84/588922084.db2.gz CNXLVMHQJMQZMN-QMMMGPOBSA-N 1 2 226.301 1.182 20 0 BDADLO c1nc(C[NH+]2CC(CC3CCOCC3)C2)co1 ZINC000895615265 583696198 /nfs/dbraw/zinc/69/61/98/583696198.db2.gz KRHFDZBKCNVZJW-UHFFFAOYSA-N 1 2 236.315 1.923 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000895764092 583722711 /nfs/dbraw/zinc/72/27/11/583722711.db2.gz FKBNUQHZRXJLFA-BDAKNGLRSA-N 1 2 246.332 1.148 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857952945 588924756 /nfs/dbraw/zinc/92/47/56/588924756.db2.gz XIDWSSXRJLKHRT-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804063 583731523 /nfs/dbraw/zinc/73/15/23/583731523.db2.gz MBEDHRKLAAYPNK-UTLUCORTSA-N 1 2 243.372 1.812 20 0 BDADLO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804108 583731804 /nfs/dbraw/zinc/73/18/04/583731804.db2.gz NJJPNMDPQFNBES-UTLUCORTSA-N 1 2 229.345 1.422 20 0 BDADLO C[C@@H](C[NH2+][C@H]1CCOC1=O)c1ccc(F)cc1 ZINC000895804708 583731939 /nfs/dbraw/zinc/73/19/39/583731939.db2.gz VQHNHWSKFJYCIL-CABZTGNLSA-N 1 2 237.274 1.834 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccnn1C ZINC000895863204 583736267 /nfs/dbraw/zinc/73/62/67/583736267.db2.gz HDTASKRYPCCIHR-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO C/C=C(/C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963694 588925690 /nfs/dbraw/zinc/92/56/90/588925690.db2.gz YMUWUFYQKGZSLY-BNFOFFDWSA-N 1 2 219.288 1.280 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000895905065 583743045 /nfs/dbraw/zinc/74/30/45/583743045.db2.gz HOXJKKHDXNJZKK-WPRPVWTQSA-N 1 2 219.288 1.801 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857974064 588926156 /nfs/dbraw/zinc/92/61/56/588926156.db2.gz FEHYZTHUYCTXLC-SNVBAGLBSA-N 1 2 231.255 1.659 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976589 588926294 /nfs/dbraw/zinc/92/62/94/588926294.db2.gz HKOPXJGFRXYSPV-MWLCHTKSSA-N 1 2 237.303 1.259 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)O1 ZINC000857978152 588926565 /nfs/dbraw/zinc/92/65/65/588926565.db2.gz LHNGGVMDOYPOMB-XNDJQWLSSA-N 1 2 249.314 1.258 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc3cnccc3o2)CCO1 ZINC000895963946 583753902 /nfs/dbraw/zinc/75/39/02/583753902.db2.gz SKBWQNCJTFKRPQ-ZDUSSCGKSA-N 1 2 248.282 1.633 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)CCO1 ZINC000895963946 583753904 /nfs/dbraw/zinc/75/39/04/583753904.db2.gz SKBWQNCJTFKRPQ-ZDUSSCGKSA-N 1 2 248.282 1.633 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CCO1 ZINC000895967753 583754481 /nfs/dbraw/zinc/75/44/81/583754481.db2.gz BNVBJJQUYZHPFP-AWEZNQCLSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCO1 ZINC000895967753 583754482 /nfs/dbraw/zinc/75/44/82/583754482.db2.gz BNVBJJQUYZHPFP-AWEZNQCLSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@@](C)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978206 588926649 /nfs/dbraw/zinc/92/66/49/588926649.db2.gz MCTBRUSDRNTVGF-ZWNOBZJWSA-N 1 2 249.314 1.259 20 0 BDADLO CO[C@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000895968451 583755195 /nfs/dbraw/zinc/75/51/95/583755195.db2.gz NQNIIGOKCUVQJY-LLVKDONJSA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000895968451 583755196 /nfs/dbraw/zinc/75/51/96/583755196.db2.gz NQNIIGOKCUVQJY-LLVKDONJSA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000895968942 583755453 /nfs/dbraw/zinc/75/54/53/583755453.db2.gz HIRCIIJQPZKKLO-CQSZACIVSA-N 1 2 249.310 1.426 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCO1 ZINC000895968942 583755454 /nfs/dbraw/zinc/75/54/54/583755454.db2.gz HIRCIIJQPZKKLO-CQSZACIVSA-N 1 2 249.310 1.426 20 0 BDADLO CC[C@](C)(OC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979120 588927153 /nfs/dbraw/zinc/92/71/53/588927153.db2.gz NDXXXXSGXDOTGQ-CABZTGNLSA-N 1 2 237.303 1.259 20 0 BDADLO COC1(CC(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857979411 588927167 /nfs/dbraw/zinc/92/71/67/588927167.db2.gz OIAXWOJEYFLBJW-JTQLQIEISA-N 1 2 249.314 1.403 20 0 BDADLO CCc1cc(NCCc2cc(C)n(C)n2)nc[nH+]1 ZINC000896023221 583764537 /nfs/dbraw/zinc/76/45/37/583764537.db2.gz JBWWYIQESNHUSF-UHFFFAOYSA-N 1 2 245.330 1.736 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982733 588927947 /nfs/dbraw/zinc/92/79/47/588927947.db2.gz RASWGASVRMCQDW-WCBMZHEXSA-N 1 2 225.267 1.438 20 0 BDADLO O=C(CCOCC1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982148 588928064 /nfs/dbraw/zinc/92/80/64/588928064.db2.gz GISCWKOENGQXTE-LLVKDONJSA-N 1 2 249.314 1.261 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCO1 ZINC000857982651 588928172 /nfs/dbraw/zinc/92/81/72/588928172.db2.gz KWABOUNOHIEVHS-JOYOIKCWSA-N 1 2 235.287 1.013 20 0 BDADLO CC(Cl)(Cl)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981386 588928324 /nfs/dbraw/zinc/92/83/24/588928324.db2.gz COFWTKOXFJZUIP-LURJTMIESA-N 1 2 248.113 1.638 20 0 BDADLO C[C@H](O)c1ccc(NCC[C@H]2CNC(=O)C2)[nH+]c1 ZINC000896133335 583775109 /nfs/dbraw/zinc/77/51/09/583775109.db2.gz FVQQRFYDLFUPDB-VHSXEESVSA-N 1 2 249.314 1.073 20 0 BDADLO C[C@H](O)c1cccc(NCC[C@H]2CNC(=O)C2)[nH+]1 ZINC000896135931 583775741 /nfs/dbraw/zinc/77/57/41/583775741.db2.gz RSULKIRIGSWTSJ-VHSXEESVSA-N 1 2 249.314 1.073 20 0 BDADLO C[NH+](C)C1(c2nc(C(C)(C)C)no2)CC1 ZINC000896175174 583778208 /nfs/dbraw/zinc/77/82/08/583778208.db2.gz UJGQJADWKZHPFT-UHFFFAOYSA-N 1 2 209.293 1.918 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857984354 588928591 /nfs/dbraw/zinc/92/85/91/588928591.db2.gz YXPNREHTVJJHDZ-SECBINFHSA-N 1 2 219.288 1.634 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983844 588928940 /nfs/dbraw/zinc/92/89/40/588928940.db2.gz WIMXQQMCNSHMOQ-NSHDSACASA-N 1 2 231.299 1.945 20 0 BDADLO CCOCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987441 588929168 /nfs/dbraw/zinc/92/91/68/588929168.db2.gz YTYGUXILTRKARY-JTQLQIEISA-N 1 2 237.303 1.261 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)C1(C2CC2)CC1 ZINC000885732655 588929425 /nfs/dbraw/zinc/92/94/25/588929425.db2.gz CGRVGNIJIBPECJ-UHFFFAOYSA-N 1 2 239.315 1.052 20 0 BDADLO O=C1N[C@@H](C2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000896312061 583790875 /nfs/dbraw/zinc/79/08/75/583790875.db2.gz ZMZITGWANBBZKA-LLVKDONJSA-N 1 2 247.298 1.406 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1CCCC1 ZINC000857989719 588929934 /nfs/dbraw/zinc/92/99/34/588929934.db2.gz JOQSSNHTHGWPRX-SNVBAGLBSA-N 1 2 219.288 1.634 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(C2CC2)CC1 ZINC000896358309 583796266 /nfs/dbraw/zinc/79/62/66/583796266.db2.gz UDXPWKXLQVRQIL-UHFFFAOYSA-N 1 2 231.299 1.457 20 0 BDADLO CO[C@@H](C)CC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997738 588930100 /nfs/dbraw/zinc/93/01/00/588930100.db2.gz UCROICBCPNAUML-JTQLQIEISA-N 1 2 249.314 1.574 20 0 BDADLO Cc1cc(NCCO[C@H]2CCOC2)nc[nH+]1 ZINC000896471745 583802983 /nfs/dbraw/zinc/80/29/83/583802983.db2.gz DIVTWLMYPUUIJE-JTQLQIEISA-N 1 2 223.276 1.002 20 0 BDADLO CCc1cc(NCCO[C@@H]2CCOC2)nc[nH+]1 ZINC000896474820 583805283 /nfs/dbraw/zinc/80/52/83/583805283.db2.gz XRZPSYXWALQURI-LLVKDONJSA-N 1 2 237.303 1.256 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2Cl)CCO1 ZINC000896579046 583814143 /nfs/dbraw/zinc/81/41/43/583814143.db2.gz MIZGIWJXWYHESY-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2Cl)CCO1 ZINC000896579046 583814146 /nfs/dbraw/zinc/81/41/46/583814146.db2.gz MIZGIWJXWYHESY-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nccc(C)n1)C2 ZINC000896659488 583821014 /nfs/dbraw/zinc/82/10/14/583821014.db2.gz JLAVSSUKNSGOID-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO CNc1cc(N(C)Cc2cccc(=O)[nH]2)nc[nH+]1 ZINC000896732733 583827950 /nfs/dbraw/zinc/82/79/50/583827950.db2.gz MRRXNINZYMDXDP-UHFFFAOYSA-N 1 2 245.286 1.255 20 0 BDADLO CNc1cc(N(C)Cc2cccc(=O)[nH]2)[nH+]cn1 ZINC000896732733 583827952 /nfs/dbraw/zinc/82/79/52/583827952.db2.gz MRRXNINZYMDXDP-UHFFFAOYSA-N 1 2 245.286 1.255 20 0 BDADLO Cc1nc(NCC(C)(C)C2CC2)nc(N)[nH+]1 ZINC000896782535 583832920 /nfs/dbraw/zinc/83/29/20/583832920.db2.gz DESTVXVFLFNVLZ-UHFFFAOYSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NCC(C)(C)C2CC2)[nH+]1 ZINC000896782535 583832921 /nfs/dbraw/zinc/83/29/21/583832921.db2.gz DESTVXVFLFNVLZ-UHFFFAOYSA-N 1 2 221.308 1.610 20 0 BDADLO CO[C@H](C)CCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913192 583853977 /nfs/dbraw/zinc/85/39/77/583853977.db2.gz AWFRULJTNDFXNK-MRVPVSSYSA-N 1 2 239.319 1.458 20 0 BDADLO Cc1[nH]c(CNC(=O)CCn2cccc2)[nH+]c1C ZINC000896915337 583854518 /nfs/dbraw/zinc/85/45/18/583854518.db2.gz JHZZVVVGWHQFCB-UHFFFAOYSA-N 1 2 246.314 1.535 20 0 BDADLO CC(C)C(=O)N1CC[NH+](Cc2ccoc2)CC1 ZINC000728300067 583855819 /nfs/dbraw/zinc/85/58/19/583855819.db2.gz WIXOQKHGAXUVKJ-UHFFFAOYSA-N 1 2 236.315 1.580 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cscn2)[nH+]c1C ZINC000896920618 583856665 /nfs/dbraw/zinc/85/66/65/583856665.db2.gz POCQLCZAVOMDQJ-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1ccn(C)n1 ZINC000858177061 588937241 /nfs/dbraw/zinc/93/72/41/588937241.db2.gz GXYJRHXEQVCGLS-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922129 583856956 /nfs/dbraw/zinc/85/69/56/583856956.db2.gz KQWHFSJWOMNSNR-VHSXEESVSA-N 1 2 237.303 1.068 20 0 BDADLO COCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922584 583856962 /nfs/dbraw/zinc/85/69/62/583856962.db2.gz SYXLSIYGTKDONY-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)CCc1ccsc1 ZINC000896925872 583858004 /nfs/dbraw/zinc/85/80/04/583858004.db2.gz CJHYGJXETXMXMY-SECBINFHSA-N 1 2 242.344 1.336 20 0 BDADLO CONC(=O)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000896925319 583858065 /nfs/dbraw/zinc/85/80/65/583858065.db2.gz VJUGPJKQORWRNT-NSHDSACASA-N 1 2 248.326 1.059 20 0 BDADLO CCC[C@H]([NH2+]CC(=O)NOC)C1CCCC1 ZINC000896925098 583858191 /nfs/dbraw/zinc/85/81/91/583858191.db2.gz UDLPPEMIXXDDEL-NSHDSACASA-N 1 2 228.336 1.613 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000896925720 583858276 /nfs/dbraw/zinc/85/82/76/583858276.db2.gz OCVSNOIDIKBEJB-WDEREUQCSA-N 1 2 226.320 1.222 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000896926976 583858486 /nfs/dbraw/zinc/85/84/86/583858486.db2.gz MSUSMNJOQLCHNY-WNYYMSAVSA-N 1 2 240.347 1.468 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000896927028 583858837 /nfs/dbraw/zinc/85/88/37/583858837.db2.gz OEKLVVNLJYGDCW-IUCAKERBSA-N 1 2 246.376 1.174 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000896926352 583859137 /nfs/dbraw/zinc/85/91/37/583859137.db2.gz IHQRPDUGTHRJPL-QWRGUYRKSA-N 1 2 230.352 1.714 20 0 BDADLO CCCCCC[C@H](C)[NH2+]CC(=O)NOC ZINC000896927596 583859565 /nfs/dbraw/zinc/85/95/65/583859565.db2.gz RPSRSPWFRHZJIN-JTQLQIEISA-N 1 2 216.325 1.613 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(=O)[nH]c2)[nH+]c1C ZINC000896929056 583859940 /nfs/dbraw/zinc/85/99/40/583859940.db2.gz BUXCNONQSBXUPU-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO Cc1cccn2cc(COC(=O)C(C)(C)O)[nH+]c12 ZINC000728341860 583864990 /nfs/dbraw/zinc/86/49/90/583864990.db2.gz YHVZZWISKWEUKW-UHFFFAOYSA-N 1 2 248.282 1.457 20 0 BDADLO CC[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nn2)CCO1 ZINC000858198663 588938658 /nfs/dbraw/zinc/93/86/58/588938658.db2.gz XPUCKPAPVYHQKI-ONGXEEELSA-N 1 2 224.308 1.100 20 0 BDADLO CC[C@H]1C[C@@H](C[NH2+]Cc2cn[nH]n2)CCO1 ZINC000858198663 588938659 /nfs/dbraw/zinc/93/86/59/588938659.db2.gz XPUCKPAPVYHQKI-ONGXEEELSA-N 1 2 224.308 1.100 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000897149284 583884954 /nfs/dbraw/zinc/88/49/54/583884954.db2.gz RSJYPYQIQOLRDQ-QWRGUYRKSA-N 1 2 233.315 1.968 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897180029 583891177 /nfs/dbraw/zinc/89/11/77/583891177.db2.gz NQJRGMVJQDWHJZ-FXPVBKGRSA-N 1 2 243.314 1.964 20 0 BDADLO FCCCCc1noc(Cn2cc[nH+]c2)n1 ZINC000897203516 583893639 /nfs/dbraw/zinc/89/36/39/583893639.db2.gz WZZZJHYFQGPZFI-UHFFFAOYSA-N 1 2 224.239 1.607 20 0 BDADLO CCCCCCNC(=O)NCc1[nH+]ccn1C ZINC000728740854 583906191 /nfs/dbraw/zinc/90/61/91/583906191.db2.gz GQKQGNNRDTVIDK-UHFFFAOYSA-N 1 2 238.335 1.800 20 0 BDADLO O=c1cc(C=Cc2[nH]cc[nH+]2)nc(C2CC2)[nH]1 ZINC000840721966 583920693 /nfs/dbraw/zinc/92/06/93/583920693.db2.gz ZAMDGGVQXUKZIA-ARJAWSKDSA-N 1 2 228.255 1.953 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cncnc1)C2 ZINC000897337347 583925187 /nfs/dbraw/zinc/92/51/87/583925187.db2.gz ZWNNFNWZTRSLRD-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CC1(F)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000864061692 583999799 /nfs/dbraw/zinc/99/97/99/583999799.db2.gz AAANJYBVSXOQDE-UHFFFAOYSA-N 1 2 225.267 1.303 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cncc(F)c1 ZINC000343760552 584011941 /nfs/dbraw/zinc/01/19/41/584011941.db2.gz FXSXCKLBJJCDNC-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cncc(F)c1 ZINC000343760552 584011943 /nfs/dbraw/zinc/01/19/43/584011943.db2.gz FXSXCKLBJJCDNC-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000897678808 584036431 /nfs/dbraw/zinc/03/64/31/584036431.db2.gz FKHJYVLXAKXVLL-XCBNKYQSSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)ncc2F)C[C@@H]1O ZINC000897678808 584036432 /nfs/dbraw/zinc/03/64/32/584036432.db2.gz FKHJYVLXAKXVLL-XCBNKYQSSA-N 1 2 228.242 1.172 20 0 BDADLO CCc1nc(OC)ccc1NCc1c[nH+]cn1C ZINC000897711863 584042672 /nfs/dbraw/zinc/04/26/72/584042672.db2.gz ULHRJZHVSPLIRI-UHFFFAOYSA-N 1 2 246.314 1.998 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1conc1C ZINC000898025263 584075709 /nfs/dbraw/zinc/07/57/09/584075709.db2.gz DAVDMLOXQJMAAA-UHFFFAOYSA-N 1 2 236.275 1.015 20 0 BDADLO COc1ccc(C[NH2+]Cc2cn(C)cn2)nc1 ZINC000898042178 584080093 /nfs/dbraw/zinc/08/00/93/584080093.db2.gz KCOXBJDBSTVSSQ-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO CCn1ncc(C[NH2+][C@H]2CCCc3n[nH]cc32)n1 ZINC000858444573 588955551 /nfs/dbraw/zinc/95/55/51/588955551.db2.gz MWVKOXWSURBCEB-NSHDSACASA-N 1 2 246.318 1.188 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)n1 ZINC000898184351 584093155 /nfs/dbraw/zinc/09/31/55/584093155.db2.gz SRVKBHGBHRXBQX-NWDGAFQWSA-N 1 2 241.310 1.116 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)n1 ZINC000898184351 584093156 /nfs/dbraw/zinc/09/31/56/584093156.db2.gz SRVKBHGBHRXBQX-NWDGAFQWSA-N 1 2 241.310 1.116 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(C)o1 ZINC000898186776 584093995 /nfs/dbraw/zinc/09/39/95/584093995.db2.gz FNKIFVGCFUJNPO-VXGBXAGGSA-N 1 2 227.279 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(C)o1 ZINC000898186776 584093996 /nfs/dbraw/zinc/09/39/96/584093996.db2.gz FNKIFVGCFUJNPO-VXGBXAGGSA-N 1 2 227.279 1.801 20 0 BDADLO Fc1nccnc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000858468837 588957968 /nfs/dbraw/zinc/95/79/68/588957968.db2.gz MBQCYVUMZDZLLC-MRVPVSSYSA-N 1 2 233.250 1.680 20 0 BDADLO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2C)C1 ZINC000858473116 588958416 /nfs/dbraw/zinc/95/84/16/588958416.db2.gz NHOZMSMQIFDJFY-GZMMTYOYSA-N 1 2 249.314 1.631 20 0 BDADLO COc1nccnc1C[NH2+]C/C=C\Cl ZINC000898426840 584132043 /nfs/dbraw/zinc/13/20/43/584132043.db2.gz ARVAQQTZZSMLAF-IHWYPQMZSA-N 1 2 213.668 1.327 20 0 BDADLO Cl/C=C/C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000898428887 584132983 /nfs/dbraw/zinc/13/29/83/584132983.db2.gz KCSUUMKIDVKLEA-GORDUTHDSA-N 1 2 226.711 1.845 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485252 584139108 /nfs/dbraw/zinc/13/91/08/584139108.db2.gz DVWVRGZDKKFNCQ-GHMZBOCLSA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898485252 584139109 /nfs/dbraw/zinc/13/91/09/584139109.db2.gz DVWVRGZDKKFNCQ-GHMZBOCLSA-N 1 2 230.327 1.583 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898483173 584139149 /nfs/dbraw/zinc/13/91/49/584139149.db2.gz INUXFRMIYKZWEU-GMTAPVOTSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898483173 584139150 /nfs/dbraw/zinc/13/91/50/584139150.db2.gz INUXFRMIYKZWEU-GMTAPVOTSA-N 1 2 228.311 1.193 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898485254 584139471 /nfs/dbraw/zinc/13/94/71/584139471.db2.gz DVWVRGZDKKFNCQ-QWRGUYRKSA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898485254 584139472 /nfs/dbraw/zinc/13/94/72/584139472.db2.gz DVWVRGZDKKFNCQ-QWRGUYRKSA-N 1 2 230.327 1.583 20 0 BDADLO C[C@H](Nc1cnn(CCF)c1)c1[nH]cc[nH+]1 ZINC000858492404 588960601 /nfs/dbraw/zinc/96/06/01/588960601.db2.gz WTAUHWSRXUSATF-QMMMGPOBSA-N 1 2 223.255 1.749 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000898611986 584146657 /nfs/dbraw/zinc/14/66/57/584146657.db2.gz AAGQAWSRBOPKKV-JQWIXIFHSA-N 1 2 248.330 1.504 20 0 BDADLO CC[C@H]1CCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898629919 584147072 /nfs/dbraw/zinc/14/70/72/584147072.db2.gz XKXDYYHGJMIVAU-NSHDSACASA-N 1 2 236.319 1.504 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@@H]2C2CC2)c1 ZINC000898629541 584147236 /nfs/dbraw/zinc/14/72/36/584147236.db2.gz OKDKABIPWPHRLD-GFCCVEGCSA-N 1 2 248.330 1.504 20 0 BDADLO CCc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)no1 ZINC000898811127 584160041 /nfs/dbraw/zinc/16/00/41/584160041.db2.gz RPXXJXYXLBFYJY-VIFPVBQESA-N 1 2 246.270 1.308 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](F)[C@@H](F)C1 ZINC000858560527 588966041 /nfs/dbraw/zinc/96/60/41/588966041.db2.gz SOMSARZQNBBFTF-OCAPTIKFSA-N 1 2 214.215 1.586 20 0 BDADLO CCCCCS(=O)(=O)CCc1c[nH+]cn1C ZINC000899482958 584218133 /nfs/dbraw/zinc/21/81/33/584218133.db2.gz MIFQAKKHKIJVSO-UHFFFAOYSA-N 1 2 244.360 1.568 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1CCC=CCC1 ZINC000899805096 584238259 /nfs/dbraw/zinc/23/82/59/584238259.db2.gz NSOLLKTWVYKKHV-UHFFFAOYSA-N 1 2 233.315 1.957 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000899811146 584238994 /nfs/dbraw/zinc/23/89/94/584238994.db2.gz IGKURNLIVMVSHE-SNVBAGLBSA-N 1 2 239.294 1.264 20 0 BDADLO CCn1cc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)nn1 ZINC000899888391 584247092 /nfs/dbraw/zinc/24/70/92/584247092.db2.gz KXXVNEMTNIRZFL-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO CCn1cc(C[N@H+]2CCC(F)(F)C[C@@H]2C)nn1 ZINC000899888391 584247094 /nfs/dbraw/zinc/24/70/94/584247094.db2.gz KXXVNEMTNIRZFL-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO CC(C)(C)c1cn(C[C@H](O)C2(O)CCC2)c[nH+]1 ZINC000899894357 584248032 /nfs/dbraw/zinc/24/80/32/584248032.db2.gz XXYJIXGFLKPEIZ-NSHDSACASA-N 1 2 238.331 1.457 20 0 BDADLO O=C(CCF)N1CCN(c2cccc[nH+]2)CC1 ZINC000899932103 584255288 /nfs/dbraw/zinc/25/52/88/584255288.db2.gz BXIPXIMLLJTFNH-UHFFFAOYSA-N 1 2 237.278 1.090 20 0 BDADLO C/C(=C/C(=O)NCC(C)C)C[NH+]1CCOCC1 ZINC000899925396 584255498 /nfs/dbraw/zinc/25/54/98/584255498.db2.gz LSPQAOWTPNTAJQ-WQLSENKSSA-N 1 2 240.347 1.037 20 0 BDADLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000858587999 588969566 /nfs/dbraw/zinc/96/95/66/588969566.db2.gz VBKFNWMNKDJIKP-DTWKUNHWSA-N 1 2 241.291 1.042 20 0 BDADLO Cc1noc([C@@H]2[NH2+]CCOc3ccccc32)n1 ZINC000899993497 584263023 /nfs/dbraw/zinc/26/30/23/584263023.db2.gz JNDRQUMEZVCXLY-LLVKDONJSA-N 1 2 231.255 1.449 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000900193628 584284936 /nfs/dbraw/zinc/28/49/36/584284936.db2.gz ORPUBTRRQCLYRW-UHFFFAOYSA-N 1 2 237.303 1.005 20 0 BDADLO CCc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000900205318 584285808 /nfs/dbraw/zinc/28/58/08/584285808.db2.gz JWDDHTSSPDADKH-UHFFFAOYSA-N 1 2 249.339 1.893 20 0 BDADLO CCc1ccc(CNC(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900205318 584285811 /nfs/dbraw/zinc/28/58/11/584285811.db2.gz JWDDHTSSPDADKH-UHFFFAOYSA-N 1 2 249.339 1.893 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC=CCC1 ZINC000900391819 584301169 /nfs/dbraw/zinc/30/11/69/584301169.db2.gz BQEKEFMBMVPXCZ-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CC=CCC1 ZINC000900391819 584301170 /nfs/dbraw/zinc/30/11/70/584301170.db2.gz BQEKEFMBMVPXCZ-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO CCC[C@H](CC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900419407 584306862 /nfs/dbraw/zinc/30/68/62/584306862.db2.gz XIYWQZWDVLJRTR-VIFPVBQESA-N 1 2 209.293 1.647 20 0 BDADLO CCC[C@H](CC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900419407 584306863 /nfs/dbraw/zinc/30/68/63/584306863.db2.gz XIYWQZWDVLJRTR-VIFPVBQESA-N 1 2 209.293 1.647 20 0 BDADLO CC(C)n1cc(NC(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900522518 584318560 /nfs/dbraw/zinc/31/85/60/584318560.db2.gz NIEKQKAHBGVTJT-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO CC(C)n1cc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900522518 584318562 /nfs/dbraw/zinc/31/85/62/584318562.db2.gz NIEKQKAHBGVTJT-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO CC1(C)CCCN1C(=O)CNc1cccc[nH+]1 ZINC000900555790 584322316 /nfs/dbraw/zinc/32/23/16/584322316.db2.gz FHBPECWCOXWPAO-UHFFFAOYSA-N 1 2 233.315 1.895 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC2(CC2)CC1 ZINC000900648784 584335186 /nfs/dbraw/zinc/33/51/86/584335186.db2.gz VUSZMDDJXRELQL-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO CC[C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900653878 584336266 /nfs/dbraw/zinc/33/62/66/584336266.db2.gz AVMOSNTZTJXXKM-VIFPVBQESA-N 1 2 209.293 1.457 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900672632 584339539 /nfs/dbraw/zinc/33/95/39/584339539.db2.gz OSIJAJFCNUXVJS-FOQNGQEVSA-N 1 2 234.299 1.468 20 0 BDADLO C[C@H](CNC(=O)C1(C2CC2)CC1)Cn1cc[nH+]c1 ZINC000900787960 584351667 /nfs/dbraw/zinc/35/16/67/584351667.db2.gz RRCMAPLZQBXRFQ-LLVKDONJSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@H](NC(=O)CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000900839371 584355966 /nfs/dbraw/zinc/35/59/66/584355966.db2.gz FZIITVIVJDYVEZ-QWRGUYRKSA-N 1 2 249.314 1.035 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC(C1CC1)C1CC1 ZINC000900871193 584359740 /nfs/dbraw/zinc/35/97/40/584359740.db2.gz DTYDMOHOPDCMOW-UHFFFAOYSA-N 1 2 233.315 1.505 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC(C1CC1)C1CC1 ZINC000900871193 584359741 /nfs/dbraw/zinc/35/97/41/584359741.db2.gz DTYDMOHOPDCMOW-UHFFFAOYSA-N 1 2 233.315 1.505 20 0 BDADLO CN(CCc1cccs1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900875467 584360091 /nfs/dbraw/zinc/36/00/91/584360091.db2.gz IOCPYYFSGFGVIE-UHFFFAOYSA-N 1 2 249.339 1.715 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900981351 584372692 /nfs/dbraw/zinc/37/26/92/584372692.db2.gz ASXHTUMSNKSSHC-JDGPPOGSSA-N 1 2 249.314 1.053 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900981351 584372694 /nfs/dbraw/zinc/37/26/94/584372694.db2.gz ASXHTUMSNKSSHC-JDGPPOGSSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(F)nc2)[nH+]c1C ZINC000900998900 584375341 /nfs/dbraw/zinc/37/53/41/584375341.db2.gz WIOWOYGFJYPEPI-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000901068445 584377912 /nfs/dbraw/zinc/37/79/12/584377912.db2.gz ZIHNDBIVJCAAHB-QJPTWQEYSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000901068445 584377915 /nfs/dbraw/zinc/37/79/15/584377915.db2.gz ZIHNDBIVJCAAHB-QJPTWQEYSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NC1=[NH+]CCS1 ZINC000901153692 584391858 /nfs/dbraw/zinc/39/18/58/584391858.db2.gz FIJVBPSPEPZTAT-XHNCKOQMSA-N 1 2 224.329 1.642 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)N[C@H](C)CC(C)=O ZINC000901171314 584395307 /nfs/dbraw/zinc/39/53/07/584395307.db2.gz JQOBDDHQHCRWJE-SECBINFHSA-N 1 2 249.314 1.529 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000901206727 584400135 /nfs/dbraw/zinc/40/01/35/584400135.db2.gz TXGALFKDNDNBSC-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000901206727 584400137 /nfs/dbraw/zinc/40/01/37/584400137.db2.gz TXGALFKDNDNBSC-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)c1cn[nH]c1 ZINC000901217110 584402131 /nfs/dbraw/zinc/40/21/31/584402131.db2.gz NDNUTETWBNUBNG-SECBINFHSA-N 1 2 245.286 1.094 20 0 BDADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C[C@H]1C ZINC000901275837 584412753 /nfs/dbraw/zinc/41/27/53/584412753.db2.gz NFQSGQVTZFJETM-VXGBXAGGSA-N 1 2 247.342 1.998 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C2CC2)C1 ZINC000901265018 584417877 /nfs/dbraw/zinc/41/78/77/584417877.db2.gz CRXSGOVIZCDJGZ-JTQLQIEISA-N 1 2 219.288 1.211 20 0 BDADLO C[C@H]1C[C@H](NC(=O)CNc2cccc[nH+]2)CCO1 ZINC000901293410 584423425 /nfs/dbraw/zinc/42/34/25/584423425.db2.gz FOXSFXZNIDXSNM-WDEREUQCSA-N 1 2 249.314 1.177 20 0 BDADLO CC[N@H+](CCCc1ccc(C)[nH+]c1)CC(=O)[O-] ZINC000901425181 584442665 /nfs/dbraw/zinc/44/26/65/584442665.db2.gz VULUDWANAOGDEQ-UHFFFAOYSA-N 1 2 236.315 1.729 20 0 BDADLO CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(=O)[O-] ZINC000901425181 584442666 /nfs/dbraw/zinc/44/26/66/584442666.db2.gz VULUDWANAOGDEQ-UHFFFAOYSA-N 1 2 236.315 1.729 20 0 BDADLO CO[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000901447379 584447284 /nfs/dbraw/zinc/44/72/84/584447284.db2.gz NRXIUSZRHPRKHH-ZCFIWIBFSA-N 1 2 224.289 1.448 20 0 BDADLO CCCc1nnnn1Cc1cc(C)cc(C)[nH+]1 ZINC000901492901 584453112 /nfs/dbraw/zinc/45/31/12/584453112.db2.gz GAKWHNGOKOOWEU-UHFFFAOYSA-N 1 2 231.303 1.686 20 0 BDADLO CC(C)CCOC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000858927125 588985848 /nfs/dbraw/zinc/98/58/48/588985848.db2.gz LJHXNZPLJSDZNK-LLVKDONJSA-N 1 2 244.335 1.089 20 0 BDADLO CC(C)CCOC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000858927125 588985850 /nfs/dbraw/zinc/98/58/50/588985850.db2.gz LJHXNZPLJSDZNK-LLVKDONJSA-N 1 2 244.335 1.089 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@](C)(CCF)C(=O)[O-])n1C ZINC000901914800 584503621 /nfs/dbraw/zinc/50/36/21/584503621.db2.gz DSZFIQULTAZMIF-LLVKDONJSA-N 1 2 243.282 1.021 20 0 BDADLO O=C1OCCN1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000902068627 584518943 /nfs/dbraw/zinc/51/89/43/584518943.db2.gz VWQTVBNCJQYPMP-GFCCVEGCSA-N 1 2 247.298 1.628 20 0 BDADLO O=C1OCCN1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000902068627 584518945 /nfs/dbraw/zinc/51/89/45/584518945.db2.gz VWQTVBNCJQYPMP-GFCCVEGCSA-N 1 2 247.298 1.628 20 0 BDADLO COc1cnc(NCc2[nH]c(C)c(C)[nH+]2)nc1 ZINC000902083855 584521403 /nfs/dbraw/zinc/52/14/03/584521403.db2.gz VXRPWQAVHNQMPE-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO Cc1nnc(NCc2[nH]c(C)c(C)[nH+]2)n1C ZINC000902063847 584522249 /nfs/dbraw/zinc/52/22/49/584522249.db2.gz JMMYDSLXUQBCBC-UHFFFAOYSA-N 1 2 220.280 1.076 20 0 BDADLO CC[N@@H+](Cc1ccccn1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902180488 584533141 /nfs/dbraw/zinc/53/31/41/584533141.db2.gz FSLVCMSZSGBOEI-AAEUAGOBSA-N 1 2 245.326 1.339 20 0 BDADLO CC[N@H+](Cc1ccccn1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902180488 584533142 /nfs/dbraw/zinc/53/31/42/584533142.db2.gz FSLVCMSZSGBOEI-AAEUAGOBSA-N 1 2 245.326 1.339 20 0 BDADLO Cc1cnc(NCc2[nH+]ccn2C2CC2)cn1 ZINC000902205646 584538514 /nfs/dbraw/zinc/53/85/14/584538514.db2.gz ADEBKTOVOVNICK-UHFFFAOYSA-N 1 2 229.287 1.929 20 0 BDADLO CC(C)OCC(N)=[NH+]OCc1ccc(N)nc1 ZINC000902220157 584540387 /nfs/dbraw/zinc/54/03/87/584540387.db2.gz AQZCMJIUWZKWEF-UHFFFAOYSA-N 1 2 238.291 1.087 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](CN2CCOC2=O)CCO1 ZINC000902244144 584545950 /nfs/dbraw/zinc/54/59/50/584545950.db2.gz UXILWKFTCMISGY-SNVBAGLBSA-N 1 2 242.319 1.143 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](CN2CCOC2=O)CCO1 ZINC000902244144 584545952 /nfs/dbraw/zinc/54/59/52/584545952.db2.gz UXILWKFTCMISGY-SNVBAGLBSA-N 1 2 242.319 1.143 20 0 BDADLO CCn1c[nH+]c(CNCc2ccon2)c1 ZINC000902300236 584553705 /nfs/dbraw/zinc/55/37/05/584553705.db2.gz LCJYBYXBXNPXLW-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO NC(=[NH+]OCc1ccsc1)[C@H]1CCCO1 ZINC000902380414 584569092 /nfs/dbraw/zinc/56/90/92/584569092.db2.gz GQOBZKGLTHVEMI-SECBINFHSA-N 1 2 226.301 1.926 20 0 BDADLO O=C(OCCF)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000859056870 588995086 /nfs/dbraw/zinc/99/50/86/588995086.db2.gz XGTQFULEDVEKCZ-UHFFFAOYSA-N 1 2 241.266 1.695 20 0 BDADLO CC1(C)C[N@H+](Cc2ccnc(F)c2)CCO1 ZINC000859055532 588995123 /nfs/dbraw/zinc/99/51/23/588995123.db2.gz MMBHMLQLDLMBOF-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccnc(F)c2)CCO1 ZINC000859055532 588995124 /nfs/dbraw/zinc/99/51/24/588995124.db2.gz MMBHMLQLDLMBOF-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CCCOC(=O)NCCNc1cccc[nH+]1 ZINC000859062877 588995745 /nfs/dbraw/zinc/99/57/45/588995745.db2.gz UHYMMZJPXOCAJX-UHFFFAOYSA-N 1 2 223.276 1.630 20 0 BDADLO CN(C)c1ccc(Cn2cnc(C3CC3)n2)c[nH+]1 ZINC000902401466 584587723 /nfs/dbraw/zinc/58/77/23/584587723.db2.gz RNJFHTBTYFGLFN-UHFFFAOYSA-N 1 2 243.314 1.665 20 0 BDADLO CN(C)c1ccc(CONC(=O)C2CCC2)c[nH+]1 ZINC000902444528 584598985 /nfs/dbraw/zinc/59/89/85/584598985.db2.gz OZWPNLWMMGDEHW-UHFFFAOYSA-N 1 2 249.314 1.496 20 0 BDADLO C[C@@H]([NH2+]Cc1csc(N)n1)c1ccnn1C ZINC000902500801 584620012 /nfs/dbraw/zinc/62/00/12/584620012.db2.gz WVUDAJTVFVCLHS-SSDOTTSWSA-N 1 2 237.332 1.310 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000902489244 584627352 /nfs/dbraw/zinc/62/73/52/584627352.db2.gz JZOUXJIWGMACDR-LURJTMIESA-N 1 2 237.332 1.608 20 0 BDADLO NC(CO)=[NH+]OC[C@H]1CC2CCC1CC2 ZINC000902536897 584628151 /nfs/dbraw/zinc/62/81/51/584628151.db2.gz RIDZSFDTBFTIBE-UDNWOFFPSA-N 1 2 212.293 1.303 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536903 584628262 /nfs/dbraw/zinc/62/82/62/584628262.db2.gz LGHBBAJFWQIIFI-LBPRGKRZSA-N 1 2 238.331 1.067 20 0 BDADLO O=C1CCCN1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000902536903 584628263 /nfs/dbraw/zinc/62/82/63/584628263.db2.gz LGHBBAJFWQIIFI-LBPRGKRZSA-N 1 2 238.331 1.067 20 0 BDADLO Nc1ccc(Cn2cc3c(n2)C(=O)CCC3)c[nH+]1 ZINC000902543452 584629181 /nfs/dbraw/zinc/62/91/81/584629181.db2.gz PRGNSLWBZGDRDA-UHFFFAOYSA-N 1 2 242.282 1.428 20 0 BDADLO COc1cnn(Cc2ccc(N(C)C)[nH+]c2)c1 ZINC000902578497 584637808 /nfs/dbraw/zinc/63/78/08/584637808.db2.gz YQKUTPWWTNTFHL-UHFFFAOYSA-N 1 2 232.287 1.401 20 0 BDADLO CNc1ccc(C)cc1C[NH2+]Cc1cnn[nH]1 ZINC000902621996 584645359 /nfs/dbraw/zinc/64/53/59/584645359.db2.gz IRCJSEOILHVLEI-UHFFFAOYSA-N 1 2 231.303 1.445 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)Cc1ccccc1F ZINC000902622837 584645462 /nfs/dbraw/zinc/64/54/62/584645462.db2.gz JKYMIOCBFFRDTP-VIFPVBQESA-N 1 2 240.278 1.638 20 0 BDADLO Cc1cc(C)[nH+]c(Cn2cc(CCO)cn2)c1 ZINC000902729883 584661759 /nfs/dbraw/zinc/66/17/59/584661759.db2.gz ATYZPYSHDSBWNW-UHFFFAOYSA-N 1 2 231.299 1.478 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)COC(C)(C)C ZINC000902730050 584662409 /nfs/dbraw/zinc/66/24/09/584662409.db2.gz HMNRUQMUZLYJIE-POHAHGRESA-N 1 2 244.335 1.893 20 0 BDADLO Cc1cc(C)[nH+]c(Cn2nccc2C(N)=O)c1 ZINC000902734842 584662631 /nfs/dbraw/zinc/66/26/31/584662631.db2.gz PADYPFDSMFGJKJ-UHFFFAOYSA-N 1 2 230.271 1.042 20 0 BDADLO C[C@H](O)CCOc1ccc2c(c1)[nH+]cn2C ZINC000902781043 584670374 /nfs/dbraw/zinc/67/03/74/584670374.db2.gz CLUDHVKZOPQTES-VIFPVBQESA-N 1 2 220.272 1.723 20 0 BDADLO CCCOC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000859077016 588998234 /nfs/dbraw/zinc/99/82/34/588998234.db2.gz LSYJVAJZNDFSGN-LLVKDONJSA-N 1 2 249.314 1.797 20 0 BDADLO O=S1(=O)CC[C@H](CC[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902996177 584713590 /nfs/dbraw/zinc/71/35/90/584713590.db2.gz QQXXTYGZZBVIRJ-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CC[C@H](CC[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902996177 584713591 /nfs/dbraw/zinc/71/35/91/584713591.db2.gz QQXXTYGZZBVIRJ-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](F)C2)n1 ZINC000902996875 584714298 /nfs/dbraw/zinc/71/42/98/584714298.db2.gz YDCJLLFFEXBFRE-ZJUUUORDSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](F)C2)n1 ZINC000902996875 584714299 /nfs/dbraw/zinc/71/42/99/584714299.db2.gz YDCJLLFFEXBFRE-ZJUUUORDSA-N 1 2 239.294 1.986 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](F)C1 ZINC000902996573 584714579 /nfs/dbraw/zinc/71/45/79/584714579.db2.gz VRPFZDKPLHKNMH-UWVGGRQHSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](F)C1 ZINC000902996573 584714580 /nfs/dbraw/zinc/71/45/80/584714580.db2.gz VRPFZDKPLHKNMH-UWVGGRQHSA-N 1 2 209.268 1.972 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001561 584715835 /nfs/dbraw/zinc/71/58/35/584715835.db2.gz PGVMXRZUWQRYBC-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001561 584715837 /nfs/dbraw/zinc/71/58/37/584715837.db2.gz PGVMXRZUWQRYBC-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903266066 584741265 /nfs/dbraw/zinc/74/12/65/584741265.db2.gz RVVZWEVWIOKFEV-CKLFPEKLSA-N 1 2 235.331 1.936 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000903299805 584744114 /nfs/dbraw/zinc/74/41/14/584744114.db2.gz RNCBXVDGIXCMBH-XXILOJSOSA-N 1 2 239.319 1.173 20 0 BDADLO C1=CCN(C[C@@H]2CC3(CCC3)CO2)[NH2+]C1 ZINC000903490800 584781142 /nfs/dbraw/zinc/78/11/42/584781142.db2.gz INBAQJTWXOPARH-NSHDSACASA-N 1 2 208.305 1.322 20 0 BDADLO CO[C@H](CN1CC=CC[NH2+]1)C1CCCC1 ZINC000903490761 584781166 /nfs/dbraw/zinc/78/11/66/584781166.db2.gz GUWJCFCGARQYHD-GFCCVEGCSA-N 1 2 210.321 1.568 20 0 BDADLO Nc1cc(C[N@@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cc[nH+]1 ZINC000903936921 584826614 /nfs/dbraw/zinc/82/66/14/584826614.db2.gz YOBBVTDMCVDJLP-MFKMUULPSA-N 1 2 247.298 1.103 20 0 BDADLO Nc1cc(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cc[nH+]1 ZINC000903936921 584826615 /nfs/dbraw/zinc/82/66/15/584826615.db2.gz YOBBVTDMCVDJLP-MFKMUULPSA-N 1 2 247.298 1.103 20 0 BDADLO C[C@H](OC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000904087159 584840884 /nfs/dbraw/zinc/84/08/84/584840884.db2.gz ZWNPSQFKUGRJTD-UDIARPCQSA-N 1 2 220.272 1.775 20 0 BDADLO C[C@@H](OC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000904087160 584841021 /nfs/dbraw/zinc/84/10/21/584841021.db2.gz ZWNPSQFKUGRJTD-VUHVRTRXSA-N 1 2 220.272 1.775 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)OCCF ZINC000859173518 589013656 /nfs/dbraw/zinc/01/36/56/589013656.db2.gz UYHHADNDUXDBRS-ZETCQYMHSA-N 1 2 213.212 1.024 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H](C2CC2)O1 ZINC000904343919 584867715 /nfs/dbraw/zinc/86/77/15/584867715.db2.gz ZCRGNDDSVMZXET-BXKDBHETSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@H](C2CC2)O1 ZINC000904343919 584867716 /nfs/dbraw/zinc/86/77/16/584867716.db2.gz ZCRGNDDSVMZXET-BXKDBHETSA-N 1 2 248.330 1.058 20 0 BDADLO CCn1nc(C[NH2+][C@H]2CNOC2)c2ccccc21 ZINC000904424612 584881173 /nfs/dbraw/zinc/88/11/73/584881173.db2.gz WAJOLCJAICQXIZ-JTQLQIEISA-N 1 2 246.314 1.049 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761082442 584909091 /nfs/dbraw/zinc/90/90/91/584909091.db2.gz HNXDRABQZSAXDJ-MNOVXSKESA-N 1 2 248.330 1.070 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761082442 584909092 /nfs/dbraw/zinc/90/90/92/584909092.db2.gz HNXDRABQZSAXDJ-MNOVXSKESA-N 1 2 248.330 1.070 20 0 BDADLO CCON(CC)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000831491937 584909922 /nfs/dbraw/zinc/90/99/22/584909922.db2.gz WYJHJXBMMWCYID-UHFFFAOYSA-N 1 2 247.298 1.677 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1C1CC1 ZINC000761100443 584910103 /nfs/dbraw/zinc/91/01/03/584910103.db2.gz XOABSIVFHYVRHJ-KOLCDFICSA-N 1 2 218.304 1.516 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1C1CC1 ZINC000761100443 584910104 /nfs/dbraw/zinc/91/01/04/584910104.db2.gz XOABSIVFHYVRHJ-KOLCDFICSA-N 1 2 218.304 1.516 20 0 BDADLO COCCO[NH+]=C(N)Cc1cccs1 ZINC000731029597 584921125 /nfs/dbraw/zinc/92/11/25/584921125.db2.gz YMCNCBPPITZACP-UHFFFAOYSA-N 1 2 214.290 1.435 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000732094806 584933885 /nfs/dbraw/zinc/93/38/85/584933885.db2.gz QNNKZOCYKOMUFJ-LURJTMIESA-N 1 2 248.113 1.562 20 0 BDADLO COC[C@H](C)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000733704490 584952249 /nfs/dbraw/zinc/95/22/49/584952249.db2.gz FDKZDTDFQSZPTC-JTQLQIEISA-N 1 2 248.282 1.455 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H](O)c1ccccc1F ZINC000733997724 584956252 /nfs/dbraw/zinc/95/62/52/584956252.db2.gz UVMWIKIWLXWPNQ-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H](O)c1ccccc1F ZINC000733997724 584956253 /nfs/dbraw/zinc/95/62/53/584956253.db2.gz UVMWIKIWLXWPNQ-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO Cc1nonc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000735674739 584980563 /nfs/dbraw/zinc/98/05/63/584980563.db2.gz TWLAYBOADUUMSW-RKDXNWHRSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nonc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000735674739 584980564 /nfs/dbraw/zinc/98/05/64/584980564.db2.gz TWLAYBOADUUMSW-RKDXNWHRSA-N 1 2 227.333 1.704 20 0 BDADLO C/C=C\C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000736019296 584986411 /nfs/dbraw/zinc/98/64/11/584986411.db2.gz LJDJEQUJKFCZOU-IHWYPQMZSA-N 1 2 242.282 1.460 20 0 BDADLO CC(C)CONc1cc(-n2cc[nH+]c2)ncn1 ZINC000788076547 584995296 /nfs/dbraw/zinc/99/52/96/584995296.db2.gz OKWIGAIMPLNDAK-UHFFFAOYSA-N 1 2 233.275 1.662 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](F)C1 ZINC000821038024 585015163 /nfs/dbraw/zinc/01/51/63/585015163.db2.gz OTAFNNBQIAJEOU-SECBINFHSA-N 1 2 233.246 1.747 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)c1 ZINC000890103661 585023371 /nfs/dbraw/zinc/02/33/71/585023371.db2.gz AYQYYVJFEKVSIL-QWHCGFSZSA-N 1 2 247.342 1.863 20 0 BDADLO CC(=O)CCCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788081284 585027145 /nfs/dbraw/zinc/02/71/45/585027145.db2.gz PLYTYRJIXNMYAP-LLVKDONJSA-N 1 2 245.294 1.333 20 0 BDADLO CC(=O)CCCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788081284 585027146 /nfs/dbraw/zinc/02/71/46/585027146.db2.gz PLYTYRJIXNMYAP-LLVKDONJSA-N 1 2 245.294 1.333 20 0 BDADLO CC[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788083318 585030529 /nfs/dbraw/zinc/03/05/29/585030529.db2.gz KGVSPSGROFMPJZ-NXEZZACHSA-N 1 2 217.284 1.620 20 0 BDADLO C/C=C\C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000737823301 585038267 /nfs/dbraw/zinc/03/82/67/585038267.db2.gz RRHRKLZUZVRHHX-IHWYPQMZSA-N 1 2 219.288 1.692 20 0 BDADLO CC[C@@](C)(CO)C(=O)OCCCn1cc[nH+]c1 ZINC000838210370 585048515 /nfs/dbraw/zinc/04/85/15/585048515.db2.gz SJERSBYTVCYEKY-LBPRGKRZSA-N 1 2 240.303 1.225 20 0 BDADLO CCNC(=S)N[C@H](C)c1[nH+]ccn1CC ZINC000840811567 585053114 /nfs/dbraw/zinc/05/31/14/585053114.db2.gz ZLZHIBVJXHRASK-MRVPVSSYSA-N 1 2 226.349 1.448 20 0 BDADLO CCn1ncc(C[N@H+](C)Cc2cccs2)n1 ZINC000838784867 585069917 /nfs/dbraw/zinc/06/99/17/585069917.db2.gz WIFYDLVQDFTPLT-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1ncc(C[N@@H+](C)Cc2cccs2)n1 ZINC000838784867 585069918 /nfs/dbraw/zinc/06/99/18/585069918.db2.gz WIFYDLVQDFTPLT-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000838848673 585074724 /nfs/dbraw/zinc/07/47/24/585074724.db2.gz ALJSKFOVXDWZPM-CMPLNLGQSA-N 1 2 229.320 1.079 20 0 BDADLO CCn1ncc(C[N@H+](C)CCOCC2CC2)n1 ZINC000838853791 585075121 /nfs/dbraw/zinc/07/51/21/585075121.db2.gz LXHAHEGCWFNTQT-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCn1ncc(C[N@@H+](C)CCOCC2CC2)n1 ZINC000838853791 585075122 /nfs/dbraw/zinc/07/51/22/585075122.db2.gz LXHAHEGCWFNTQT-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cccc(OC)c2)n1 ZINC000838890822 585078969 /nfs/dbraw/zinc/07/89/69/585078969.db2.gz UQZONISGETWVTK-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO COCCOC1C[NH+](Cc2ccoc2)C1 ZINC000838988097 585084590 /nfs/dbraw/zinc/08/45/90/585084590.db2.gz SOPFLYGVKVUEGU-UHFFFAOYSA-N 1 2 211.261 1.127 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000839079149 585089990 /nfs/dbraw/zinc/08/99/90/585089990.db2.gz AXTGKRAZWKJIRO-VIFPVBQESA-N 1 2 246.261 1.112 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000839079149 585089991 /nfs/dbraw/zinc/08/99/91/585089991.db2.gz AXTGKRAZWKJIRO-VIFPVBQESA-N 1 2 246.261 1.112 20 0 BDADLO Cn1ncc(C[NH+]2CC(C(C)(C)O)C2)c1Cl ZINC000839140346 585094535 /nfs/dbraw/zinc/09/45/35/585094535.db2.gz PGYOZWGPJAYRLS-UHFFFAOYSA-N 1 2 243.738 1.276 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839202178 585099607 /nfs/dbraw/zinc/09/96/07/585099607.db2.gz ZKQRCKQQGIEVIZ-UTLUCORTSA-N 1 2 229.345 1.518 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839202178 585099608 /nfs/dbraw/zinc/09/96/08/585099608.db2.gz ZKQRCKQQGIEVIZ-UTLUCORTSA-N 1 2 229.345 1.518 20 0 BDADLO CC(C)CCOC(=O)NCc1[nH]cc[nH+]1 ZINC000867012381 585104122 /nfs/dbraw/zinc/10/41/22/585104122.db2.gz GDEMAWIRTDJOSB-UHFFFAOYSA-N 1 2 211.265 1.682 20 0 BDADLO C[N@@H+](C/C=C/Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000741053790 585110130 /nfs/dbraw/zinc/11/01/30/585110130.db2.gz ANIRGCCBQBKAAQ-LXOKAJLYSA-N 1 2 237.752 1.105 20 0 BDADLO C[N@H+](C/C=C/Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000741053790 585110129 /nfs/dbraw/zinc/11/01/29/585110129.db2.gz ANIRGCCBQBKAAQ-LXOKAJLYSA-N 1 2 237.752 1.105 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cccnc1F ZINC000789003050 585116778 /nfs/dbraw/zinc/11/67/78/585116778.db2.gz WNEKRDKKBODXAE-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO Cc1cccc(F)c1C[NH2+]Cc1cn(C)nn1 ZINC000742380545 585125632 /nfs/dbraw/zinc/12/56/32/585125632.db2.gz NVEAHTFADBGFTE-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)Cn1cc[nH]c1=S ZINC000743357212 585135675 /nfs/dbraw/zinc/13/56/75/585135675.db2.gz VKHLACDQLUYWGG-SNVBAGLBSA-N 1 2 241.360 1.630 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)Cn1cc[nH]c1=S ZINC000743357212 585135676 /nfs/dbraw/zinc/13/56/76/585135676.db2.gz VKHLACDQLUYWGG-SNVBAGLBSA-N 1 2 241.360 1.630 20 0 BDADLO Cc1nc(CO[NH+]=C(N)COC(C)C)cs1 ZINC000744179498 585145294 /nfs/dbraw/zinc/14/52/94/585145294.db2.gz WWUIGYYRGVFYRP-UHFFFAOYSA-N 1 2 243.332 1.875 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nonc2C)CCS1 ZINC000744424221 585150428 /nfs/dbraw/zinc/15/04/28/585150428.db2.gz IMIFMPYJJMQFAY-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nonc2C)CCS1 ZINC000744424221 585150429 /nfs/dbraw/zinc/15/04/29/585150429.db2.gz IMIFMPYJJMQFAY-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO CCOC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000744997388 585155106 /nfs/dbraw/zinc/15/51/06/585155106.db2.gz USPGMUCIGJSKNO-UHFFFAOYSA-N 1 2 248.238 1.054 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000745080644 585156380 /nfs/dbraw/zinc/15/63/80/585156380.db2.gz WZHRGJMSXWORLK-CMPLNLGQSA-N 1 2 239.315 1.526 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000745080644 585156381 /nfs/dbraw/zinc/15/63/81/585156381.db2.gz WZHRGJMSXWORLK-CMPLNLGQSA-N 1 2 239.315 1.526 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)C(C)C ZINC000745086057 585156634 /nfs/dbraw/zinc/15/66/34/585156634.db2.gz CYIPETNARRWMPI-NSHDSACASA-N 1 2 241.331 1.629 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)C(C)C ZINC000745086057 585156635 /nfs/dbraw/zinc/15/66/35/585156635.db2.gz CYIPETNARRWMPI-NSHDSACASA-N 1 2 241.331 1.629 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(C)C ZINC000745086056 585156706 /nfs/dbraw/zinc/15/67/06/585156706.db2.gz CYIPETNARRWMPI-LLVKDONJSA-N 1 2 241.331 1.629 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(C)C ZINC000745086056 585156707 /nfs/dbraw/zinc/15/67/07/585156707.db2.gz CYIPETNARRWMPI-LLVKDONJSA-N 1 2 241.331 1.629 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1=CCCCO1 ZINC000746216541 585165510 /nfs/dbraw/zinc/16/55/10/585165510.db2.gz VTMYVDKRZWLPCI-UHFFFAOYSA-N 1 2 235.287 1.073 20 0 BDADLO CCC/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000746244243 585166355 /nfs/dbraw/zinc/16/63/55/585166355.db2.gz BDLZOPHHNNIKJJ-SNAWJCMRSA-N 1 2 207.277 1.425 20 0 BDADLO CCCC[N@H+](CCOC)Cn1ccsc1=O ZINC000746619016 585171098 /nfs/dbraw/zinc/17/10/98/585171098.db2.gz JSMGBCUMQPLAHR-UHFFFAOYSA-N 1 2 244.360 1.616 20 0 BDADLO CCCC[N@@H+](CCOC)Cn1ccsc1=O ZINC000746619016 585171099 /nfs/dbraw/zinc/17/10/99/585171099.db2.gz JSMGBCUMQPLAHR-UHFFFAOYSA-N 1 2 244.360 1.616 20 0 BDADLO CCC/C=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747400713 585178362 /nfs/dbraw/zinc/17/83/62/585178362.db2.gz LGCNQTPYUOGKND-FJOGCWAESA-N 1 2 235.331 1.992 20 0 BDADLO CCC/C=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747400714 585178455 /nfs/dbraw/zinc/17/84/55/585178455.db2.gz LGCNQTPYUOGKND-FOQNGQEVSA-N 1 2 235.331 1.992 20 0 BDADLO CCC/C=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747400712 585178556 /nfs/dbraw/zinc/17/85/56/585178556.db2.gz LGCNQTPYUOGKND-BTDICHCPSA-N 1 2 235.331 1.992 20 0 BDADLO C[C@@H](CC(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000747784338 585184326 /nfs/dbraw/zinc/18/43/26/585184326.db2.gz ZFNWMSPAMDQQIY-VIFPVBQESA-N 1 2 222.288 1.900 20 0 BDADLO C[C@@H](CC(=O)Nc1cc[nH+]cc1O)C1CC1 ZINC000748313100 585190861 /nfs/dbraw/zinc/19/08/61/585190861.db2.gz WLTJXOBPWJCAGC-QMMMGPOBSA-N 1 2 220.272 1.584 20 0 BDADLO COC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748727873 585195057 /nfs/dbraw/zinc/19/50/57/585195057.db2.gz MSLXEYOQPCLHCV-UHFFFAOYSA-N 1 2 231.255 1.728 20 0 BDADLO CC[C@H](C)NC(=S)NCCn1cc[nH+]c1 ZINC000749755094 585205365 /nfs/dbraw/zinc/20/53/65/585205365.db2.gz BUXZHRYZEILUAB-VIFPVBQESA-N 1 2 226.349 1.146 20 0 BDADLO COC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CC=C(C)C ZINC000886944594 585213913 /nfs/dbraw/zinc/21/39/13/585213913.db2.gz SLRPKRUOLKWQDI-VXGBXAGGSA-N 1 2 241.331 1.653 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc2occc2[nH]1 ZINC000750878498 585220860 /nfs/dbraw/zinc/22/08/60/585220860.db2.gz IIOLOJWJQAHTCD-UHFFFAOYSA-N 1 2 244.254 1.457 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2occc2[nH]1 ZINC000750900254 585221538 /nfs/dbraw/zinc/22/15/38/585221538.db2.gz QIKYHYWZYOIXDI-UHFFFAOYSA-N 1 2 244.254 1.722 20 0 BDADLO CC(C)=C(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000751387618 585229364 /nfs/dbraw/zinc/22/93/64/585229364.db2.gz YQIQDQWLBDRVGZ-NSHDSACASA-N 1 2 235.331 1.992 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](CCC(F)(F)F)C1 ZINC000752091263 585242453 /nfs/dbraw/zinc/24/24/53/585242453.db2.gz HJBHMSXGRYGUPC-MRVPVSSYSA-N 1 2 243.200 1.526 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](CCC(F)(F)F)C1 ZINC000752091263 585242454 /nfs/dbraw/zinc/24/24/54/585242454.db2.gz HJBHMSXGRYGUPC-MRVPVSSYSA-N 1 2 243.200 1.526 20 0 BDADLO CS[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC000752268311 585244104 /nfs/dbraw/zinc/24/41/04/585244104.db2.gz KXAKKFFPRUTSIG-SECBINFHSA-N 1 2 249.339 1.816 20 0 BDADLO CCON(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000753593473 585262989 /nfs/dbraw/zinc/26/29/89/585262989.db2.gz PCWKTOQVUPJKQR-UHFFFAOYSA-N 1 2 248.286 1.427 20 0 BDADLO CC[N@H+](CCC(=O)C(C)(C)C)CC(=O)OC ZINC000753705553 585266817 /nfs/dbraw/zinc/26/68/17/585266817.db2.gz UJCHBBWXTKMGQE-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CC[N@@H+](CCC(=O)C(C)(C)C)CC(=O)OC ZINC000753705553 585266818 /nfs/dbraw/zinc/26/68/18/585266818.db2.gz UJCHBBWXTKMGQE-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CC(C)(O)CCO[NH+]=C(N)c1cccc(F)c1 ZINC000754281074 585281971 /nfs/dbraw/zinc/28/19/71/585281971.db2.gz QZLBXGDBQQFQQW-UHFFFAOYSA-N 1 2 240.278 1.833 20 0 BDADLO CCC/C=C\C(=O)OCc1c[nH+]cn1C ZINC000754686573 585289329 /nfs/dbraw/zinc/28/93/29/585289329.db2.gz IQDGVTVFGRGEHU-WAYWQWQTSA-N 1 2 208.261 1.820 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1Cc2ccccc21 ZINC000754685835 585289540 /nfs/dbraw/zinc/28/95/40/585289540.db2.gz UDNDIZKOBPMRCD-ZDUSSCGKSA-N 1 2 242.278 1.803 20 0 BDADLO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1nnc(C)o1 ZINC000755139979 585295512 /nfs/dbraw/zinc/29/55/12/585295512.db2.gz CVNCQGRAKZFLMY-WVXIBAHESA-N 1 2 239.275 1.148 20 0 BDADLO CC(C)[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000755288301 585297223 /nfs/dbraw/zinc/29/72/23/585297223.db2.gz FNZZYCVINFGRBH-LLVKDONJSA-N 1 2 247.298 1.081 20 0 BDADLO O=C(Nc1ccon1)c1cccc2[nH+]ccn21 ZINC000755763493 585306212 /nfs/dbraw/zinc/30/62/12/585306212.db2.gz SKGYJOVJCAGZER-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO C[N@H+](Cn1ccsc1=O)[C@H]1CCSC1 ZINC000755799605 585307289 /nfs/dbraw/zinc/30/72/89/585307289.db2.gz YQXGGVOWGNPQNK-QMMMGPOBSA-N 1 2 230.358 1.305 20 0 BDADLO C[N@@H+](Cn1ccsc1=O)[C@H]1CCSC1 ZINC000755799605 585307290 /nfs/dbraw/zinc/30/72/90/585307290.db2.gz YQXGGVOWGNPQNK-QMMMGPOBSA-N 1 2 230.358 1.305 20 0 BDADLO CO[C@H]1CC[N@H+](Cn2cc(C)cnc2=S)C1 ZINC000758354426 585354262 /nfs/dbraw/zinc/35/42/62/585354262.db2.gz HNDJUVXGVTZCCY-JTQLQIEISA-N 1 2 239.344 1.599 20 0 BDADLO CO[C@H]1CC[N@@H+](Cn2cc(C)cnc2=S)C1 ZINC000758354426 585354263 /nfs/dbraw/zinc/35/42/63/585354263.db2.gz HNDJUVXGVTZCCY-JTQLQIEISA-N 1 2 239.344 1.599 20 0 BDADLO O=C(NCc1ccno1)c1cccc2[nH+]ccn21 ZINC000758543711 585356965 /nfs/dbraw/zinc/35/69/65/585356965.db2.gz IDPROYIIESLXAY-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO CC[N@H+](Cc1cnns1)Cc1ccncc1 ZINC000859221223 589021297 /nfs/dbraw/zinc/02/12/97/589021297.db2.gz KKXSJLOYPFQJIC-UHFFFAOYSA-N 1 2 234.328 1.955 20 0 BDADLO CC[N@@H+](Cc1cnns1)Cc1ccncc1 ZINC000859221223 589021299 /nfs/dbraw/zinc/02/12/99/589021299.db2.gz KKXSJLOYPFQJIC-UHFFFAOYSA-N 1 2 234.328 1.955 20 0 BDADLO FCC[NH+]1CCN(c2ccccn2)CC1 ZINC000759328042 585367442 /nfs/dbraw/zinc/36/74/42/585367442.db2.gz HXXCKXUYYQCYRG-UHFFFAOYSA-N 1 2 209.268 1.173 20 0 BDADLO ClC1(Cl)C[C@@H]1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000759551684 585375803 /nfs/dbraw/zinc/37/58/03/585375803.db2.gz XWUOTPVLNOBLLA-ZCFIWIBFSA-N 1 2 247.129 1.357 20 0 BDADLO ClC1(Cl)C[C@@H]1C[N@H+]1CCc2n[nH]nc2C1 ZINC000759551684 585375804 /nfs/dbraw/zinc/37/58/04/585375804.db2.gz XWUOTPVLNOBLLA-ZCFIWIBFSA-N 1 2 247.129 1.357 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)OCc1ccccc1 ZINC000761106508 585409830 /nfs/dbraw/zinc/40/98/30/585409830.db2.gz WNIXERAQYGFZJK-WCQYABFASA-N 1 2 249.310 1.185 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)OCc1ccccc1 ZINC000761106508 585409831 /nfs/dbraw/zinc/40/98/31/585409831.db2.gz WNIXERAQYGFZJK-WCQYABFASA-N 1 2 249.310 1.185 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccoc2)C(C)(C)C1 ZINC000761216500 585412486 /nfs/dbraw/zinc/41/24/86/585412486.db2.gz ZKXJWMASUQHMIS-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccoc2)C(C)(C)C1 ZINC000761216500 585412487 /nfs/dbraw/zinc/41/24/87/585412487.db2.gz ZKXJWMASUQHMIS-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO O=C(CC1CCSCC1)NC1=[NH+]CCS1 ZINC000761837522 585419679 /nfs/dbraw/zinc/41/96/79/585419679.db2.gz YWHAAOORPFPAHD-UHFFFAOYSA-N 1 2 244.385 1.739 20 0 BDADLO C[C@H]1[N@H+](Cn2cc[nH]c2=S)CCOC1(C)C ZINC000763210607 585444664 /nfs/dbraw/zinc/44/46/64/585444664.db2.gz HKLMZHPDICQEEV-SECBINFHSA-N 1 2 241.360 1.629 20 0 BDADLO C[C@H]1[N@@H+](Cn2cc[nH]c2=S)CCOC1(C)C ZINC000763210607 585444665 /nfs/dbraw/zinc/44/46/65/585444665.db2.gz HKLMZHPDICQEEV-SECBINFHSA-N 1 2 241.360 1.629 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000763272799 585444966 /nfs/dbraw/zinc/44/49/66/585444966.db2.gz VCICVMWRDYBVFW-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cccc(O)c1 ZINC000763286680 585445912 /nfs/dbraw/zinc/44/59/12/585445912.db2.gz BGGZGMCBMLIFKQ-UHFFFAOYSA-N 1 2 246.266 1.836 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccoc2)CC[S@]1=O ZINC000763495972 585449076 /nfs/dbraw/zinc/44/90/76/585449076.db2.gz YSSCNGQWJMTBDA-ZUZCIYMTSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccoc2)CC[S@]1=O ZINC000763495972 585449077 /nfs/dbraw/zinc/44/90/77/585449077.db2.gz YSSCNGQWJMTBDA-ZUZCIYMTSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccoc2)CC[S@@](=O)C1 ZINC000763652535 585451737 /nfs/dbraw/zinc/45/17/37/585451737.db2.gz OMCXIDYNYRNFAJ-MEBBXXQBSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccoc2)CC[S@@](=O)C1 ZINC000763652535 585451738 /nfs/dbraw/zinc/45/17/38/585451738.db2.gz OMCXIDYNYRNFAJ-MEBBXXQBSA-N 1 2 227.329 1.480 20 0 BDADLO CC[N@H+](CCc1ccccn1)[C@@H]1CCOC1=O ZINC000764322363 585463656 /nfs/dbraw/zinc/46/36/56/585463656.db2.gz BPZHSKBRCRSKPG-GFCCVEGCSA-N 1 2 234.299 1.262 20 0 BDADLO CC[N@@H+](CCc1ccccn1)[C@@H]1CCOC1=O ZINC000764322363 585463657 /nfs/dbraw/zinc/46/36/57/585463657.db2.gz BPZHSKBRCRSKPG-GFCCVEGCSA-N 1 2 234.299 1.262 20 0 BDADLO CC(C)C[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000765529652 585489193 /nfs/dbraw/zinc/48/91/93/585489193.db2.gz NJNXCIRTGKSRHH-LBPRGKRZSA-N 1 2 243.347 1.544 20 0 BDADLO O=C(CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)C1CC1 ZINC000767348941 585517239 /nfs/dbraw/zinc/51/72/39/585517239.db2.gz KVEFIGUKQXAOAP-GFCCVEGCSA-N 1 2 247.342 1.958 20 0 BDADLO O=C(CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1)C1CC1 ZINC000767348941 585517240 /nfs/dbraw/zinc/51/72/40/585517240.db2.gz KVEFIGUKQXAOAP-GFCCVEGCSA-N 1 2 247.342 1.958 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000767965137 585529151 /nfs/dbraw/zinc/52/91/51/585529151.db2.gz IGTWFVACGFFVMD-GFCCVEGCSA-N 1 2 224.304 1.213 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000767965137 585529152 /nfs/dbraw/zinc/52/91/52/585529152.db2.gz IGTWFVACGFFVMD-GFCCVEGCSA-N 1 2 224.304 1.213 20 0 BDADLO C/C=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000768930116 585546120 /nfs/dbraw/zinc/54/61/20/585546120.db2.gz RXSNAUHQGQBLDA-HWKANZROSA-N 1 2 207.277 1.308 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCC1CCOCC1 ZINC000768933561 585546511 /nfs/dbraw/zinc/54/65/11/585546511.db2.gz HYGHGVKKZMWOAP-UHFFFAOYSA-N 1 2 244.335 1.727 20 0 BDADLO c1cc(C[NH+]2CCN(c3cccnn3)CC2)co1 ZINC000769234375 585551544 /nfs/dbraw/zinc/55/15/44/585551544.db2.gz WLCYICUVTITPSX-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CCO[C@@H](C)C(=O)OCc1c[nH+]ccc1OC ZINC000805400144 585571454 /nfs/dbraw/zinc/57/14/54/585571454.db2.gz PAEUFSJQFGSHEQ-VIFPVBQESA-N 1 2 239.271 1.558 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770409382 585573785 /nfs/dbraw/zinc/57/37/85/585573785.db2.gz RMKFPYWRNIIYRF-VHSXEESVSA-N 1 2 229.283 1.720 20 0 BDADLO C[C@]1(NCc2c[nH+]c3ccccn23)CCOC1=O ZINC000810097611 585592607 /nfs/dbraw/zinc/59/26/07/585592607.db2.gz DUVZDPMAVKIXSO-ZDUSSCGKSA-N 1 2 245.282 1.130 20 0 BDADLO C[NH+]1CCN(C(=O)C2(F)CCCC2)CC1 ZINC000771840492 585601971 /nfs/dbraw/zinc/60/19/71/585601971.db2.gz RHSFKFIEWXGFMR-UHFFFAOYSA-N 1 2 214.284 1.043 20 0 BDADLO Cc1nc(NC[C@H](O)c2cccnc2)cc[nH+]1 ZINC000771920132 585604165 /nfs/dbraw/zinc/60/41/65/585604165.db2.gz BMKLXPDLOLCNKX-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO O=C(CC1(O)CCCC1)OCCn1cc[nH+]c1 ZINC000771970442 585605739 /nfs/dbraw/zinc/60/57/39/585605739.db2.gz SVWQUYUTZHAALS-UHFFFAOYSA-N 1 2 238.287 1.122 20 0 BDADLO O=C(CC[C@H]1CCOC1)OCCn1cc[nH+]c1 ZINC000771994503 585606451 /nfs/dbraw/zinc/60/64/51/585606451.db2.gz IYBNSAWFPWXSJF-NSHDSACASA-N 1 2 238.287 1.243 20 0 BDADLO CC[C@@H](SC)C(=O)OCCn1cc[nH+]c1 ZINC000772014004 585606816 /nfs/dbraw/zinc/60/68/16/585606816.db2.gz QTQYJEHCWFEQNA-SECBINFHSA-N 1 2 228.317 1.568 20 0 BDADLO Cc1ccc(COC(=O)C(C)(C)O)c(C)[nH+]1 ZINC000772067974 585607896 /nfs/dbraw/zinc/60/78/96/585607896.db2.gz DOQCBLIGZVNARH-UHFFFAOYSA-N 1 2 223.272 1.513 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)CSC)n1 ZINC000300774001 585615649 /nfs/dbraw/zinc/61/56/49/585615649.db2.gz KAVNOFQILRHFQZ-ZETCQYMHSA-N 1 2 215.322 1.646 20 0 BDADLO C[C@H]1COCCC[N@@H+]1CN1CCSC1=O ZINC000772822694 585624570 /nfs/dbraw/zinc/62/45/70/585624570.db2.gz IOCSKXXXMCBGMH-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO C[C@H]1COCCC[N@H+]1CN1CCSC1=O ZINC000772822694 585624571 /nfs/dbraw/zinc/62/45/71/585624571.db2.gz IOCSKXXXMCBGMH-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772813785 585624698 /nfs/dbraw/zinc/62/46/98/585624698.db2.gz QKPVVMADCOFPDO-SNVBAGLBSA-N 1 2 233.315 1.740 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772813785 585624699 /nfs/dbraw/zinc/62/46/99/585624699.db2.gz QKPVVMADCOFPDO-SNVBAGLBSA-N 1 2 233.315 1.740 20 0 BDADLO CS[C@@H](C)CCC(=O)NC1=[NH+]CCS1 ZINC000773210011 585633597 /nfs/dbraw/zinc/63/35/97/585633597.db2.gz UVIWCEYUKMSSBQ-ZETCQYMHSA-N 1 2 232.374 1.737 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1oncc1C ZINC000805492166 585643316 /nfs/dbraw/zinc/64/33/16/585643316.db2.gz CRNXSPDZXOFSJL-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO Cc1ccc(C(=O)NCCc2c[nH+]cn2C)nc1 ZINC000773844452 585644839 /nfs/dbraw/zinc/64/48/39/585644839.db2.gz BEBHGTWDXVKHKK-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO COC[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774087569 585650112 /nfs/dbraw/zinc/65/01/12/585650112.db2.gz VEAMZOLTLFCLFD-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO COC[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774087569 585650113 /nfs/dbraw/zinc/65/01/13/585650113.db2.gz VEAMZOLTLFCLFD-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCc1c(C)noc1C ZINC000774773985 585665749 /nfs/dbraw/zinc/66/57/49/585665749.db2.gz RHIMLFOKWGQRSN-SECBINFHSA-N 1 2 241.291 1.367 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCC=CO1)C(C)(C)C ZINC000775057210 585671171 /nfs/dbraw/zinc/67/11/71/585671171.db2.gz LHXXHCAZORHNDH-MNOVXSKESA-N 1 2 241.331 1.856 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)C[C@H](C)[S@@]1=O ZINC000775116384 585672648 /nfs/dbraw/zinc/67/26/48/585672648.db2.gz UNFWZRWNVRGNKT-BUWBCJGYSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)C[C@H](C)[S@@]1=O ZINC000775116384 585672649 /nfs/dbraw/zinc/67/26/49/585672649.db2.gz UNFWZRWNVRGNKT-BUWBCJGYSA-N 1 2 243.372 1.520 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1nncn1C)c1ccccn1 ZINC000775448844 585678138 /nfs/dbraw/zinc/67/81/38/585678138.db2.gz LJNRMMOLOKKRTF-ZDUSSCGKSA-N 1 2 245.330 1.697 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000775567570 585680054 /nfs/dbraw/zinc/68/00/54/585680054.db2.gz JKJMTCJAVIIEBB-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000775567570 585680055 /nfs/dbraw/zinc/68/00/55/585680055.db2.gz JKJMTCJAVIIEBB-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO NC(Cc1cccs1)=[NH+]OCCCO ZINC000776296589 585695352 /nfs/dbraw/zinc/69/53/52/585695352.db2.gz FDYSMNCUASSZCF-UHFFFAOYSA-N 1 2 214.290 1.171 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C2CCCC2)C1 ZINC000776305480 585695369 /nfs/dbraw/zinc/69/53/69/585695369.db2.gz COGZEULUEHUSMV-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO NC(=O)Cn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000776832039 585705917 /nfs/dbraw/zinc/70/59/17/585705917.db2.gz AHADCTUTRDVRNT-UHFFFAOYSA-N 1 2 236.662 1.084 20 0 BDADLO Cc1ncsc1C=CC(=O)NCc1c[nH+]c[nH]1 ZINC000777254654 585709741 /nfs/dbraw/zinc/70/97/41/585709741.db2.gz DCSLYQYUXADZKU-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO Cc1ncsc1C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000777254654 585709742 /nfs/dbraw/zinc/70/97/42/585709742.db2.gz DCSLYQYUXADZKU-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(c1cnco1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777457339 585712622 /nfs/dbraw/zinc/71/26/22/585712622.db2.gz NOTCBLRJNBREAB-MRVPVSSYSA-N 1 2 232.243 1.375 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(CF)cc1 ZINC000777572836 585715671 /nfs/dbraw/zinc/71/56/71/585715671.db2.gz OIALKNGFNGTSPK-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777572836 585715672 /nfs/dbraw/zinc/71/56/72/585715672.db2.gz OIALKNGFNGTSPK-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO c1ccc([C@@H]2COCC[N@H+]2CC2OCCO2)cc1 ZINC000777593297 585716297 /nfs/dbraw/zinc/71/62/97/585716297.db2.gz CGBZOTQFLFKSOG-ZDUSSCGKSA-N 1 2 249.310 1.433 20 0 BDADLO c1ccc([C@@H]2COCC[N@@H+]2CC2OCCO2)cc1 ZINC000777593297 585716298 /nfs/dbraw/zinc/71/62/98/585716298.db2.gz CGBZOTQFLFKSOG-ZDUSSCGKSA-N 1 2 249.310 1.433 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNc1nncn1C ZINC000777737932 585719303 /nfs/dbraw/zinc/71/93/03/585719303.db2.gz JPQVQBSBUZNGDD-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO Cn1cnnc1NCc1cccc2[nH+]ccn21 ZINC000777738541 585719393 /nfs/dbraw/zinc/71/93/93/585719393.db2.gz WGAVQBUCYVOVJZ-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOc1cccnc1 ZINC000779062114 585744608 /nfs/dbraw/zinc/74/46/08/585744608.db2.gz SIPZQMHVDAQKIK-JTQLQIEISA-N 1 2 246.314 1.843 20 0 BDADLO CS/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094633 585745198 /nfs/dbraw/zinc/74/51/98/585745198.db2.gz DLEZFOCQHPPNKI-SEYNBYMXSA-N 1 2 237.328 1.191 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(C)o1 ZINC000779200208 585747169 /nfs/dbraw/zinc/74/71/69/585747169.db2.gz WNIRDDFMICUOAY-JTQLQIEISA-N 1 2 236.315 1.559 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c(C)o1 ZINC000779200208 585747170 /nfs/dbraw/zinc/74/71/70/585747170.db2.gz WNIRDDFMICUOAY-JTQLQIEISA-N 1 2 236.315 1.559 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)CSC(C)(C)C)C1 ZINC000779557130 585756062 /nfs/dbraw/zinc/75/60/62/585756062.db2.gz VCDTUKCYQMISNZ-UHFFFAOYSA-N 1 2 244.404 1.727 20 0 BDADLO Cc1cnc(C(=O)NCc2[nH+]ccn2C)c(C)c1 ZINC000780477827 585779289 /nfs/dbraw/zinc/77/92/89/585779289.db2.gz FEGFIALYPDNIGY-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCOCC1CC1 ZINC000782322549 585814738 /nfs/dbraw/zinc/81/47/38/585814738.db2.gz ZAZQRKHZXSTUTB-UHFFFAOYSA-N 1 2 230.308 1.336 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3C[C@]3(CO)C2)cc[nH+]1 ZINC000782402607 585817559 /nfs/dbraw/zinc/81/75/59/585817559.db2.gz JBHJMXWAOHWPER-GXFFZTMASA-N 1 2 233.315 1.419 20 0 BDADLO OC[C@]12C[C@H]1CN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000782405226 585817690 /nfs/dbraw/zinc/81/76/90/585817690.db2.gz GMRZWCKBIONSOY-TVQRCGJNSA-N 1 2 229.283 1.382 20 0 BDADLO Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)nc(C2CC2)[nH+]1 ZINC000782408708 585817867 /nfs/dbraw/zinc/81/78/67/585817867.db2.gz UQKZIWKYIJRWJV-RISCZKNCSA-N 1 2 245.326 1.481 20 0 BDADLO COC(=O)/C(C)=C\CN1CCn2cc(C)[nH+]c2C1 ZINC000782514876 585819781 /nfs/dbraw/zinc/81/97/81/585819781.db2.gz QGXDADDVZHBQGJ-WMZJFQQLSA-N 1 2 249.314 1.126 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)O[C@H](C)COC ZINC000782861625 585825179 /nfs/dbraw/zinc/82/51/79/585825179.db2.gz XOODKHDZVJGEIB-SECBINFHSA-N 1 2 238.287 1.623 20 0 BDADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)n(C)n1 ZINC000783092998 585827688 /nfs/dbraw/zinc/82/76/88/585827688.db2.gz MZUXLPBOSKEZTH-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO NC(Cc1cccc(F)c1)=[NH+]OCCCO ZINC000783147327 585828373 /nfs/dbraw/zinc/82/83/73/585828373.db2.gz GVQKYKHQCKSQKO-UHFFFAOYSA-N 1 2 226.251 1.249 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)Cc1cccc(F)c1 ZINC000783155371 585828762 /nfs/dbraw/zinc/82/87/62/585828762.db2.gz BJHKEFPMKAVFGI-VIFPVBQESA-N 1 2 240.278 1.902 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccnc(F)c1 ZINC000783256270 585832398 /nfs/dbraw/zinc/83/23/98/585832398.db2.gz KZJWNXXMDPASEG-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000805747174 585835655 /nfs/dbraw/zinc/83/56/55/585835655.db2.gz VLAZZMNSTNTXIH-YUMQZZPRSA-N 1 2 248.252 1.760 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000805747174 585835656 /nfs/dbraw/zinc/83/56/56/585835656.db2.gz VLAZZMNSTNTXIH-YUMQZZPRSA-N 1 2 248.252 1.760 20 0 BDADLO C[C@@H]1C[N@H+](Cn2cc[nH]c2=S)[C@@H](C)[C@H](C)O1 ZINC000783542423 585836489 /nfs/dbraw/zinc/83/64/89/585836489.db2.gz KDUVDXOGZSLKBX-UTLUCORTSA-N 1 2 241.360 1.627 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2cc[nH]c2=S)[C@@H](C)[C@H](C)O1 ZINC000783542423 585836490 /nfs/dbraw/zinc/83/64/90/585836490.db2.gz KDUVDXOGZSLKBX-UTLUCORTSA-N 1 2 241.360 1.627 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1=COCC1 ZINC000783674554 585839806 /nfs/dbraw/zinc/83/98/06/585839806.db2.gz SPJIRNLGZMJBDE-UHFFFAOYSA-N 1 2 222.244 1.121 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H](F)C(C)C ZINC000784109907 585849595 /nfs/dbraw/zinc/84/95/95/585849595.db2.gz BVMVAWDSSOAOOC-NSHDSACASA-N 1 2 224.279 1.999 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cncc(F)c1 ZINC000784116027 585850102 /nfs/dbraw/zinc/85/01/02/585850102.db2.gz AVDSZHXKSGXPQO-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOCC[C@@H]2C)s1 ZINC000784266401 585853697 /nfs/dbraw/zinc/85/36/97/585853697.db2.gz FJDXPQIPSFIHLF-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCOCC[C@@H]2C)s1 ZINC000784266401 585853698 /nfs/dbraw/zinc/85/36/98/585853698.db2.gz FJDXPQIPSFIHLF-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CC(C)[C@H](F)C(=O)NCCCn1cc[nH+]c1 ZINC000784277169 585854129 /nfs/dbraw/zinc/85/41/29/585854129.db2.gz AQKOLGACUXBAPZ-JTQLQIEISA-N 1 2 227.283 1.384 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCCc1c[nH+]cn1C ZINC000784465619 585861087 /nfs/dbraw/zinc/86/10/87/585861087.db2.gz ZIPSNLUGHCZWIP-SNVBAGLBSA-N 1 2 227.283 1.073 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H](C)O1 ZINC000784666863 585865271 /nfs/dbraw/zinc/86/52/71/585865271.db2.gz BDFCFWMIMXLKRQ-PWSUYJOCSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccoc2)C[C@@H](C)O1 ZINC000784666863 585865272 /nfs/dbraw/zinc/86/52/72/585865272.db2.gz BDFCFWMIMXLKRQ-PWSUYJOCSA-N 1 2 225.288 1.515 20 0 BDADLO C[C@@]1(C(=O)OCCCn2cc[nH+]c2)CCOC1 ZINC000784695932 585865803 /nfs/dbraw/zinc/86/58/03/585865803.db2.gz RPECPYLWOIJVRG-GFCCVEGCSA-N 1 2 238.287 1.243 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](F)C(C)C)c1[nH]cc[nH+]1 ZINC000784788855 585866181 /nfs/dbraw/zinc/86/61/81/585866181.db2.gz AJDJRYVQEKQACH-BDAKNGLRSA-N 1 2 227.283 1.971 20 0 BDADLO C[C@H]1C[C@@H](C(=O)OCCCn2cc[nH+]c2)CO1 ZINC000784876470 585867358 /nfs/dbraw/zinc/86/73/58/585867358.db2.gz SCIFGAUKGWSUNK-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)/C=C/C1CC1 ZINC000784905164 585868394 /nfs/dbraw/zinc/86/83/94/585868394.db2.gz BZZNORJWBLPRDK-SGUJLRQBSA-N 1 2 239.315 1.217 20 0 BDADLO CO[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC000785431207 585873736 /nfs/dbraw/zinc/87/37/36/585873736.db2.gz YJHHLPNTEWTAIE-VIFPVBQESA-N 1 2 233.271 1.099 20 0 BDADLO Cc1nonc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000785522486 585875369 /nfs/dbraw/zinc/87/53/69/585875369.db2.gz VUABBAKLWBXNBF-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO C[C@H](O)C[N@H+](C/C(Cl)=C\Cl)[C@@H](C)CO ZINC000785534403 585875396 /nfs/dbraw/zinc/87/53/96/585875396.db2.gz KRWZTGDSOTXTJR-YWGQXMMASA-N 1 2 242.146 1.369 20 0 BDADLO C[C@H](O)C[N@@H+](C/C(Cl)=C\Cl)[C@@H](C)CO ZINC000785534403 585875397 /nfs/dbraw/zinc/87/53/97/585875397.db2.gz KRWZTGDSOTXTJR-YWGQXMMASA-N 1 2 242.146 1.369 20 0 BDADLO CCCc1nc(C(=O)OCCn2cc[nH+]c2)co1 ZINC000786519820 585893931 /nfs/dbraw/zinc/89/39/31/585893931.db2.gz NPAVDTCHQIRPNB-UHFFFAOYSA-N 1 2 249.270 1.681 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c(C)o1 ZINC000787417441 585909118 /nfs/dbraw/zinc/90/91/18/585909118.db2.gz NFEFJWKWEWDTIQ-MFKMUULPSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c(C)o1 ZINC000787417441 585909119 /nfs/dbraw/zinc/90/91/19/585909119.db2.gz NFEFJWKWEWDTIQ-MFKMUULPSA-N 1 2 239.315 1.478 20 0 BDADLO CC(C)n1cc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000787811284 585916693 /nfs/dbraw/zinc/91/66/93/585916693.db2.gz NPYYLJASSJCWDY-UHFFFAOYSA-N 1 2 248.286 1.518 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncnn2C)c(C)o1 ZINC000788972056 585932555 /nfs/dbraw/zinc/93/25/55/585932555.db2.gz UKBBIMSGFQDDIJ-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C(C)(C)C1CC1 ZINC000805889945 585942975 /nfs/dbraw/zinc/94/29/75/585942975.db2.gz VTTNNTPPUVHTHF-UHFFFAOYSA-N 1 2 222.288 1.900 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000789562413 585943928 /nfs/dbraw/zinc/94/39/28/585943928.db2.gz AJPLKBUCCFWDFN-CHWSQXEVSA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccoc1 ZINC000789562413 585943929 /nfs/dbraw/zinc/94/39/29/585943929.db2.gz AJPLKBUCCFWDFN-CHWSQXEVSA-N 1 2 249.310 1.850 20 0 BDADLO NC(=[NH+]OCC[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000789607805 585944967 /nfs/dbraw/zinc/94/49/67/585944967.db2.gz IDVLBIULHUASQJ-VHSXEESVSA-N 1 2 228.292 1.233 20 0 BDADLO CSCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789609500 585946347 /nfs/dbraw/zinc/94/63/47/585946347.db2.gz NOENNRAFIQOLCP-QMMMGPOBSA-N 1 2 218.322 1.417 20 0 BDADLO Cc1ccnc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000789607789 585946377 /nfs/dbraw/zinc/94/63/77/585946377.db2.gz CPICICQLTAHEFD-LLVKDONJSA-N 1 2 235.287 1.567 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1 ZINC000789771225 585949436 /nfs/dbraw/zinc/94/94/36/585949436.db2.gz GNEOVNVMPKUOFK-UHFFFAOYSA-N 1 2 230.267 1.820 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000789772355 585949681 /nfs/dbraw/zinc/94/96/81/585949681.db2.gz MXMACOKEJHZLLX-PSASIEDQSA-N 1 2 208.261 1.162 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCCCc1[nH+]ccn1C ZINC000789790811 585949907 /nfs/dbraw/zinc/94/99/07/585949907.db2.gz CNKXJEXSFCUHLY-NXEZZACHSA-N 1 2 222.288 1.552 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)C1CC1 ZINC000805922420 585964267 /nfs/dbraw/zinc/96/42/67/585964267.db2.gz CBDPZNPEDPDNSD-UHFFFAOYSA-N 1 2 236.315 1.942 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC000790430989 585964617 /nfs/dbraw/zinc/96/46/17/585964617.db2.gz HAEYIJHTOOTCOS-ZJUUUORDSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC000790430989 585964618 /nfs/dbraw/zinc/96/46/18/585964618.db2.gz HAEYIJHTOOTCOS-ZJUUUORDSA-N 1 2 227.304 1.049 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2C[C@H](C)CC2=O)c1 ZINC000790450678 585965044 /nfs/dbraw/zinc/96/50/44/585965044.db2.gz JOWJDVDEMLXLCQ-GFCCVEGCSA-N 1 2 249.358 1.766 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2C[C@H](C)CC2=O)c1 ZINC000790450678 585965045 /nfs/dbraw/zinc/96/50/45/585965045.db2.gz JOWJDVDEMLXLCQ-GFCCVEGCSA-N 1 2 249.358 1.766 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OCc1ncccn1 ZINC000790500605 585965821 /nfs/dbraw/zinc/96/58/21/585965821.db2.gz MJXWSNGOIFGLOL-UHFFFAOYSA-N 1 2 242.282 1.718 20 0 BDADLO CCc1cc(C(=O)OCc2cc[nH+]c(N)c2)n[nH]1 ZINC000791707260 585986536 /nfs/dbraw/zinc/98/65/36/585986536.db2.gz PPPXCRUHSLKJQR-UHFFFAOYSA-N 1 2 246.270 1.306 20 0 BDADLO Cc1ncccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791876450 585989979 /nfs/dbraw/zinc/98/99/79/585989979.db2.gz SQUBGGMEUNIQTI-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792091600 585995685 /nfs/dbraw/zinc/99/56/85/585995685.db2.gz UJUHMPHRXYBILU-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO CCn1nccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792152421 585996661 /nfs/dbraw/zinc/99/66/61/585996661.db2.gz QVBRTLRSKVEGCA-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000792238963 585998466 /nfs/dbraw/zinc/99/84/66/585998466.db2.gz BVXFXYNLFODJCS-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000792238963 585998467 /nfs/dbraw/zinc/99/84/67/585998467.db2.gz BVXFXYNLFODJCS-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO CC[C@](C)(OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792283160 585999029 /nfs/dbraw/zinc/99/90/29/585999029.db2.gz UFLTYKSPRLAMJM-LBPRGKRZSA-N 1 2 238.287 1.522 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@@H]1C(F)F ZINC000793250813 586015108 /nfs/dbraw/zinc/01/51/08/586015108.db2.gz LVTWRSCYLXWHRF-IUCAKERBSA-N 1 2 244.241 1.407 20 0 BDADLO COC1(C(=O)OCCc2c[nH+]cn2C)CCC1 ZINC000793254809 586015261 /nfs/dbraw/zinc/01/52/61/586015261.db2.gz GRYROZKAALXTJJ-UHFFFAOYSA-N 1 2 238.287 1.075 20 0 BDADLO CS[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793257377 586015277 /nfs/dbraw/zinc/01/52/77/586015277.db2.gz FRXHUOMORDOHCF-MRVPVSSYSA-N 1 2 228.317 1.257 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000793747043 586025734 /nfs/dbraw/zinc/02/57/34/586025734.db2.gz MRVWQLDTWXXERM-VIFPVBQESA-N 1 2 232.287 1.548 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000793747043 586025735 /nfs/dbraw/zinc/02/57/35/586025735.db2.gz MRVWQLDTWXXERM-VIFPVBQESA-N 1 2 232.287 1.548 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCCCCCO ZINC000793776892 586026494 /nfs/dbraw/zinc/02/64/94/586026494.db2.gz MFMNPYQQRCNMRG-UHFFFAOYSA-N 1 2 239.319 1.011 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCCCCCO ZINC000793776892 586026495 /nfs/dbraw/zinc/02/64/95/586026495.db2.gz MFMNPYQQRCNMRG-UHFFFAOYSA-N 1 2 239.319 1.011 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC=CO1 ZINC000793886007 586028361 /nfs/dbraw/zinc/02/83/61/586028361.db2.gz HTBQFQSWEYBFJV-GFCCVEGCSA-N 1 2 249.314 1.162 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC=CO1 ZINC000793886009 586028452 /nfs/dbraw/zinc/02/84/52/586028452.db2.gz HTBQFQSWEYBFJV-LBPRGKRZSA-N 1 2 249.314 1.162 20 0 BDADLO Cc1nc(CC(N)=[NH+]O[C@H]2CCOC2)cs1 ZINC000794521664 586041761 /nfs/dbraw/zinc/04/17/61/586041761.db2.gz XAPKYNPXMHNOHE-VIFPVBQESA-N 1 2 241.316 1.281 20 0 BDADLO C[C@H]1CC(=O)N(C[NH+]2CCC(F)(F)CC2)C1 ZINC000794684824 586046764 /nfs/dbraw/zinc/04/67/64/586046764.db2.gz BTDSEQSJQBRMNS-VIFPVBQESA-N 1 2 232.274 1.543 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccnc(F)c2)cnn1C ZINC000859284105 589028099 /nfs/dbraw/zinc/02/80/99/589028099.db2.gz FQSJPOFNIWMDBR-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccnc(F)c2)cnn1C ZINC000859284105 589028101 /nfs/dbraw/zinc/02/81/01/589028101.db2.gz FQSJPOFNIWMDBR-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000795090263 586068532 /nfs/dbraw/zinc/06/85/32/586068532.db2.gz MRMIEINHLVBCMG-FIFYQCSRSA-N 1 2 237.752 1.105 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000795090263 586068534 /nfs/dbraw/zinc/06/85/34/586068534.db2.gz MRMIEINHLVBCMG-FIFYQCSRSA-N 1 2 237.752 1.105 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859302268 589029056 /nfs/dbraw/zinc/02/90/56/589029056.db2.gz UTMYFWRUSHEFLD-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859302268 589029058 /nfs/dbraw/zinc/02/90/58/589029058.db2.gz UTMYFWRUSHEFLD-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859302269 589029134 /nfs/dbraw/zinc/02/91/34/589029134.db2.gz UTMYFWRUSHEFLD-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859302269 589029136 /nfs/dbraw/zinc/02/91/36/589029136.db2.gz UTMYFWRUSHEFLD-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CC1=CCC[N@H+](CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000795455650 586079456 /nfs/dbraw/zinc/07/94/56/586079456.db2.gz JYSAXBDAOOQGDA-JTQLQIEISA-N 1 2 244.285 1.710 20 0 BDADLO CC1=CCC[N@@H+](CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000795455650 586079457 /nfs/dbraw/zinc/07/94/57/586079457.db2.gz JYSAXBDAOOQGDA-JTQLQIEISA-N 1 2 244.285 1.710 20 0 BDADLO C[C@@H](O)CCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000795505525 586081902 /nfs/dbraw/zinc/08/19/02/586081902.db2.gz JVNTXIOOLGBQDD-SNVBAGLBSA-N 1 2 248.282 1.652 20 0 BDADLO C[N@H+](C[C@H]1CCCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795699718 586090829 /nfs/dbraw/zinc/09/08/29/586090829.db2.gz PKYAOCRSXYGVFJ-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795699718 586090830 /nfs/dbraw/zinc/09/08/30/586090830.db2.gz PKYAOCRSXYGVFJ-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@H+](C[C@H]1CCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795685226 586091104 /nfs/dbraw/zinc/09/11/04/586091104.db2.gz QLMUHKSMXDIKFV-NXEZZACHSA-N 1 2 227.304 1.191 20 0 BDADLO C[N@@H+](C[C@H]1CCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795685226 586091105 /nfs/dbraw/zinc/09/11/05/586091105.db2.gz QLMUHKSMXDIKFV-NXEZZACHSA-N 1 2 227.304 1.191 20 0 BDADLO Cc1ncccc1C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795683250 586091261 /nfs/dbraw/zinc/09/12/61/586091261.db2.gz CXIJHESDLKAMSV-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ncccc1C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795683250 586091262 /nfs/dbraw/zinc/09/12/62/586091262.db2.gz CXIJHESDLKAMSV-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO FC1C[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC000795952358 586094981 /nfs/dbraw/zinc/09/49/81/586094981.db2.gz KNRUVIJMMMDIOL-UHFFFAOYSA-N 1 2 229.295 1.573 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)C1CC1)[NH+](C)C ZINC000798839589 586150962 /nfs/dbraw/zinc/15/09/62/586150962.db2.gz ZIMBDVONBOBRIE-LLVKDONJSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(Cl)n(C)n2)[C@@H]1C ZINC000859316602 589031207 /nfs/dbraw/zinc/03/12/07/589031207.db2.gz YGIVIOGLDFNXRA-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)[C@@H]1C ZINC000859316602 589031209 /nfs/dbraw/zinc/03/12/09/589031209.db2.gz YGIVIOGLDFNXRA-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO CC(C)CCOC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000859335382 589032221 /nfs/dbraw/zinc/03/22/21/589032221.db2.gz VQISMKTUOSCSKS-NSHDSACASA-N 1 2 244.335 1.089 20 0 BDADLO CC(C)CCOC(=O)NC[C@H]1COCC[N@H+]1C ZINC000859335382 589032222 /nfs/dbraw/zinc/03/22/22/589032222.db2.gz VQISMKTUOSCSKS-NSHDSACASA-N 1 2 244.335 1.089 20 0 BDADLO Cn1c[nH+]c(/C=C2\C(=O)Nc3ccccc32)c1 ZINC000800791997 586228384 /nfs/dbraw/zinc/22/83/84/586228384.db2.gz IIKYBOLIQWEBPK-WDZFZDKYSA-N 1 2 225.251 1.913 20 0 BDADLO Cc1nc(C(=O)OCCn2cc[nH+]c2)co1 ZINC000801393393 586255372 /nfs/dbraw/zinc/25/53/72/586255372.db2.gz NWVMNCIKQISLDC-UHFFFAOYSA-N 1 2 221.216 1.037 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801564488 586263362 /nfs/dbraw/zinc/26/33/62/586263362.db2.gz OQXINPDAHPFNKU-VIFPVBQESA-N 1 2 237.290 1.767 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801564488 586263363 /nfs/dbraw/zinc/26/33/63/586263363.db2.gz OQXINPDAHPFNKU-VIFPVBQESA-N 1 2 237.290 1.767 20 0 BDADLO Cc1nc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)co1 ZINC000801640004 586267552 /nfs/dbraw/zinc/26/75/52/586267552.db2.gz CRSLSEMLXWAVHW-SNVBAGLBSA-N 1 2 246.270 1.683 20 0 BDADLO CC[C@@H](C)OCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802232903 586297249 /nfs/dbraw/zinc/29/72/49/586297249.db2.gz LTUQVNZLUPOCGR-GHMZBOCLSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@H](C)OCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802232903 586297250 /nfs/dbraw/zinc/29/72/50/586297250.db2.gz LTUQVNZLUPOCGR-GHMZBOCLSA-N 1 2 247.310 1.389 20 0 BDADLO CO[C@@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)C(C)C ZINC000802236803 586297416 /nfs/dbraw/zinc/29/74/16/586297416.db2.gz RULBRKHJVWSQNS-WDEREUQCSA-N 1 2 247.310 1.244 20 0 BDADLO CO[C@@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)C(C)C ZINC000802236803 586297419 /nfs/dbraw/zinc/29/74/19/586297419.db2.gz RULBRKHJVWSQNS-WDEREUQCSA-N 1 2 247.310 1.244 20 0 BDADLO CC(C)[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802231246 586297676 /nfs/dbraw/zinc/29/76/76/586297676.db2.gz AOKOYEUPKPMOPB-WDEREUQCSA-N 1 2 231.311 1.866 20 0 BDADLO CC(C)[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802231246 586297677 /nfs/dbraw/zinc/29/76/77/586297677.db2.gz AOKOYEUPKPMOPB-WDEREUQCSA-N 1 2 231.311 1.866 20 0 BDADLO COC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCC1 ZINC000802237691 586297679 /nfs/dbraw/zinc/29/76/79/586297679.db2.gz IPXDWYAJFPZZDG-JTQLQIEISA-N 1 2 245.294 1.143 20 0 BDADLO COC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCC1 ZINC000802237691 586297680 /nfs/dbraw/zinc/29/76/80/586297680.db2.gz IPXDWYAJFPZZDG-JTQLQIEISA-N 1 2 245.294 1.143 20 0 BDADLO CC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CC1 ZINC000802233567 586298316 /nfs/dbraw/zinc/29/83/16/586298316.db2.gz ZHLMFDILUNJGDQ-VIFPVBQESA-N 1 2 215.268 1.374 20 0 BDADLO CC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802233567 586298317 /nfs/dbraw/zinc/29/83/17/586298317.db2.gz ZHLMFDILUNJGDQ-VIFPVBQESA-N 1 2 215.268 1.374 20 0 BDADLO Cc1ocnc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242892 586299300 /nfs/dbraw/zinc/29/93/00/586299300.db2.gz SVTXZRIGSKIYMG-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO Cc1ocnc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242892 586299301 /nfs/dbraw/zinc/29/93/01/586299301.db2.gz SVTXZRIGSKIYMG-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO C[C@H]1CN(C[N@@H+]2C[C@@H](C)OC[C@H]2C)C(=O)[C@H]1C ZINC000839960053 586300561 /nfs/dbraw/zinc/30/05/61/586300561.db2.gz NLLZZJFCFJKALE-QCNOEVLYSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CN(C[N@H+]2C[C@@H](C)OC[C@H]2C)C(=O)[C@H]1C ZINC000839960053 586300563 /nfs/dbraw/zinc/30/05/63/586300563.db2.gz NLLZZJFCFJKALE-QCNOEVLYSA-N 1 2 240.347 1.168 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@@H](C)C2CC2)C1 ZINC000802773120 586313125 /nfs/dbraw/zinc/31/31/25/586313125.db2.gz NDKQOKUFWCUFCS-JTQLQIEISA-N 1 2 241.331 1.296 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CC2CC2)C1 ZINC000802771397 586313611 /nfs/dbraw/zinc/31/36/11/586313611.db2.gz OQUMSSVTHJJKPR-UHFFFAOYSA-N 1 2 227.304 1.050 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@@H](C)C2=O)C[C@H](C)O1 ZINC000839993741 586335515 /nfs/dbraw/zinc/33/55/15/586335515.db2.gz REMUNWBPDKTXLO-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)C[C@H](C)O1 ZINC000839993741 586335518 /nfs/dbraw/zinc/33/55/18/586335518.db2.gz REMUNWBPDKTXLO-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CCCC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495915 586362012 /nfs/dbraw/zinc/36/20/12/586362012.db2.gz VMOAJIYQCDPBEF-NSHDSACASA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ccc(COC(=O)COC(F)F)c(C)[nH+]1 ZINC000803732317 586371660 /nfs/dbraw/zinc/37/16/60/586371660.db2.gz IMGPPEPXKODDGT-UHFFFAOYSA-N 1 2 245.225 1.981 20 0 BDADLO CCc1[nH]ccc1C(=O)OCCn1cc[nH+]c1 ZINC000803774168 586373493 /nfs/dbraw/zinc/37/34/93/586373493.db2.gz FRNFXJNHOIDDGN-UHFFFAOYSA-N 1 2 233.271 1.631 20 0 BDADLO C[C@@H]1CN(C[N@H+](C)Cc2cccn2C)C(=O)[C@H]1C ZINC000840024335 586383918 /nfs/dbraw/zinc/38/39/18/586383918.db2.gz FEBOTTSTLQSGCL-NEPJUHHUSA-N 1 2 249.358 1.529 20 0 BDADLO C[C@@H]1CN(C[N@@H+](C)Cc2cccn2C)C(=O)[C@H]1C ZINC000840024335 586383920 /nfs/dbraw/zinc/38/39/20/586383920.db2.gz FEBOTTSTLQSGCL-NEPJUHHUSA-N 1 2 249.358 1.529 20 0 BDADLO CC[N@@H+](Cc1ccccn1)CN1CC[C@H](C)C1=O ZINC000840024012 586383927 /nfs/dbraw/zinc/38/39/27/586383927.db2.gz UDPQYDWTFGKJSH-LBPRGKRZSA-N 1 2 247.342 1.729 20 0 BDADLO CC[N@H+](Cc1ccccn1)CN1CC[C@H](C)C1=O ZINC000840024012 586383929 /nfs/dbraw/zinc/38/39/29/586383929.db2.gz UDPQYDWTFGKJSH-LBPRGKRZSA-N 1 2 247.342 1.729 20 0 BDADLO O=C(/C=C\C1CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804334067 586390946 /nfs/dbraw/zinc/39/09/46/586390946.db2.gz XQPRCRNMCYLRQQ-UUSYTGMJSA-N 1 2 231.299 1.280 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335673 586391189 /nfs/dbraw/zinc/39/11/89/586391189.db2.gz CZIVITGGPLSMCG-QMMMGPOBSA-N 1 2 225.267 1.062 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC=CO1 ZINC000804333959 586391194 /nfs/dbraw/zinc/39/11/94/586391194.db2.gz UGSBFPNWNWCQOP-PWSUYJOCSA-N 1 2 247.298 1.007 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1=COCCC1 ZINC000804333422 586391437 /nfs/dbraw/zinc/39/14/37/586391437.db2.gz ZXDLNMJBRKOVSH-NSHDSACASA-N 1 2 247.298 1.008 20 0 BDADLO CS/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804334836 586391580 /nfs/dbraw/zinc/39/15/80/586391580.db2.gz KOSIWJYBWMAYFG-WBSSQXGSSA-N 1 2 237.328 1.191 20 0 BDADLO CCC/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333536 586391599 /nfs/dbraw/zinc/39/15/99/586391599.db2.gz LOKOBDMSALRBRE-SGUJLRQBSA-N 1 2 233.315 1.670 20 0 BDADLO CCC/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333535 586391763 /nfs/dbraw/zinc/39/17/63/586391763.db2.gz LOKOBDMSALRBRE-DOGVGXBMSA-N 1 2 233.315 1.670 20 0 BDADLO CSc1cnc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000804348242 586392656 /nfs/dbraw/zinc/39/26/56/586392656.db2.gz OFODBMBDEUSAJS-VIFPVBQESA-N 1 2 249.343 1.896 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)O[C@@H](C)[C@@H]2C)C1=O ZINC000840054136 586403838 /nfs/dbraw/zinc/40/38/38/586403838.db2.gz QRKJTWVOURUKQY-USZNOCQGSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)O[C@@H](C)[C@@H]2C)C1=O ZINC000840054136 586403839 /nfs/dbraw/zinc/40/38/39/586403839.db2.gz QRKJTWVOURUKQY-USZNOCQGSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@@H]1CN(C[NH+]2CCC(F)(F)CC2)C(=O)[C@H]1C ZINC000840060218 586410899 /nfs/dbraw/zinc/41/08/99/586410899.db2.gz LWXYPPLNUKNIKD-ZJUUUORDSA-N 1 2 246.301 1.789 20 0 BDADLO Cc1cc(=O)[nH]c(C=Cc2[nH]cc[nH+]2)n1 ZINC000806573243 586414543 /nfs/dbraw/zinc/41/45/43/586414543.db2.gz YSUJQDZDMOIKEF-IHWYPQMZSA-N 1 2 202.217 1.384 20 0 BDADLO CC[C@H]1CC[N@@H+]1CN1Cc2cccnc2C1=O ZINC000840076589 586418972 /nfs/dbraw/zinc/41/89/72/586418972.db2.gz PJGCAWJBYBRUBJ-NSHDSACASA-N 1 2 231.299 1.479 20 0 BDADLO CC[C@H]1CC[N@H+]1CN1Cc2cccnc2C1=O ZINC000840076589 586418975 /nfs/dbraw/zinc/41/89/75/586418975.db2.gz PJGCAWJBYBRUBJ-NSHDSACASA-N 1 2 231.299 1.479 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)OCCOCC)n1 ZINC000843145867 586445574 /nfs/dbraw/zinc/44/55/74/586445574.db2.gz YFTJLWZMXKXLTR-VIFPVBQESA-N 1 2 243.307 1.293 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000840100690 586445692 /nfs/dbraw/zinc/44/56/92/586445692.db2.gz WFZUQKMHJFZZLI-SNVBAGLBSA-N 1 2 229.324 1.953 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000840100690 586445693 /nfs/dbraw/zinc/44/56/93/586445693.db2.gz WFZUQKMHJFZZLI-SNVBAGLBSA-N 1 2 229.324 1.953 20 0 BDADLO CC1(C)CCC(=O)N1C[N@@H+]1CC[C@@H](F)C1 ZINC000840102557 586446626 /nfs/dbraw/zinc/44/66/26/586446626.db2.gz QKLSDLFVYXCKDY-SECBINFHSA-N 1 2 214.284 1.389 20 0 BDADLO CC1(C)CCC(=O)N1C[N@H+]1CC[C@@H](F)C1 ZINC000840102557 586446627 /nfs/dbraw/zinc/44/66/27/586446627.db2.gz QKLSDLFVYXCKDY-SECBINFHSA-N 1 2 214.284 1.389 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](F)C2)C1 ZINC000840105380 586447561 /nfs/dbraw/zinc/44/75/61/586447561.db2.gz YCOHWHPUDPLVBL-MNOVXSKESA-N 1 2 228.311 1.636 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](F)C2)C1 ZINC000840105380 586447563 /nfs/dbraw/zinc/44/75/63/586447563.db2.gz YCOHWHPUDPLVBL-MNOVXSKESA-N 1 2 228.311 1.636 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1CC(C)(C)CC1=O ZINC000808161428 586465726 /nfs/dbraw/zinc/46/57/26/586465726.db2.gz YFNVJAZUNPXPDX-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1CC(C)(C)CC1=O ZINC000808161428 586465727 /nfs/dbraw/zinc/46/57/27/586465727.db2.gz YFNVJAZUNPXPDX-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1cn(C)cn1 ZINC000808407694 586471659 /nfs/dbraw/zinc/47/16/59/586471659.db2.gz ZELNUXDIJPTXIE-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO CCc1cccc(F)c1C[NH2+]Cc1cnn(C)n1 ZINC000808417381 586471870 /nfs/dbraw/zinc/47/18/70/586471870.db2.gz JVKUFKGFVUZQRR-UHFFFAOYSA-N 1 2 248.305 1.806 20 0 BDADLO CCOC(=O)C[N@H+](CCC(=O)C(C)C)C(C)C ZINC000808716833 586483653 /nfs/dbraw/zinc/48/36/53/586483653.db2.gz XDMGGESWNNZNPC-UHFFFAOYSA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(=O)C(C)C)C(C)C ZINC000808716833 586483654 /nfs/dbraw/zinc/48/36/54/586483654.db2.gz XDMGGESWNNZNPC-UHFFFAOYSA-N 1 2 243.347 1.875 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000809931423 586523775 /nfs/dbraw/zinc/52/37/75/586523775.db2.gz LIZOBSJYPIRGIF-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000809931423 586523776 /nfs/dbraw/zinc/52/37/76/586523776.db2.gz LIZOBSJYPIRGIF-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(C)n2)CCS1 ZINC000809951060 586526024 /nfs/dbraw/zinc/52/60/24/586526024.db2.gz WTHRMBJWZBEFAP-JTQLQIEISA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(C)n2)CCS1 ZINC000809951060 586526026 /nfs/dbraw/zinc/52/60/26/586526026.db2.gz WTHRMBJWZBEFAP-JTQLQIEISA-N 1 2 226.349 1.143 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)[C@@H](C)C2)o1 ZINC000809967462 586527132 /nfs/dbraw/zinc/52/71/32/586527132.db2.gz BKEIJNWBWSALOE-VIFPVBQESA-N 1 2 223.320 1.427 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)[C@@H](C)C2)o1 ZINC000809967462 586527133 /nfs/dbraw/zinc/52/71/33/586527133.db2.gz BKEIJNWBWSALOE-VIFPVBQESA-N 1 2 223.320 1.427 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000809988552 586529390 /nfs/dbraw/zinc/52/93/90/586529390.db2.gz GIVBGWMMSOEMMF-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000809988552 586529391 /nfs/dbraw/zinc/52/93/91/586529391.db2.gz GIVBGWMMSOEMMF-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000810115939 586534642 /nfs/dbraw/zinc/53/46/42/586534642.db2.gz RLWZCSFXCBAFKE-LBPRGKRZSA-N 1 2 243.347 1.326 20 0 BDADLO CC1(C)CCC(=O)N1CN1CCn2c[nH+]cc2C1 ZINC000811788121 586566775 /nfs/dbraw/zinc/56/67/75/586566775.db2.gz ZXRKMBSEVFAGAP-UHFFFAOYSA-N 1 2 248.330 1.057 20 0 BDADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc[nH]1 ZINC000811897734 586568449 /nfs/dbraw/zinc/56/84/49/586568449.db2.gz ADESJGLGDLYIJJ-VIFPVBQESA-N 1 2 247.302 1.309 20 0 BDADLO COCC1(CO[NH+]=C(N)[C@H]2CCCO2)CCC1 ZINC000812306807 586573098 /nfs/dbraw/zinc/57/30/98/586573098.db2.gz GFBZKSCAGDQEGB-SNVBAGLBSA-N 1 2 242.319 1.481 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000812486131 586577986 /nfs/dbraw/zinc/57/79/86/586577986.db2.gz FOGVZPUQXGVGLX-KOLCDFICSA-N 1 2 234.303 1.114 20 0 BDADLO Cn1c(Cl)cnc1C[NH+]1CC(C2CC2)C1 ZINC000812775953 586584199 /nfs/dbraw/zinc/58/41/99/586584199.db2.gz PYCJJBDHEVNLBQ-UHFFFAOYSA-N 1 2 225.723 1.915 20 0 BDADLO Cc1ccc(O)c(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000813326886 586600403 /nfs/dbraw/zinc/60/04/03/586600403.db2.gz ALRCRQFUUDKRIR-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)C1=COCCO1 ZINC000813372422 586601469 /nfs/dbraw/zinc/60/14/69/586601469.db2.gz UCOAPKBZTIYRBX-UHFFFAOYSA-N 1 2 234.255 1.525 20 0 BDADLO Cc1nocc1C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000815137829 586669518 /nfs/dbraw/zinc/66/95/18/586669518.db2.gz OBBIIHATOWWYFB-MRVPVSSYSA-N 1 2 248.290 1.155 20 0 BDADLO COc1ccc2nc(C[N@@H+]3C[C@@H](C)[C@H]3C)[nH]c2n1 ZINC000815163490 586672071 /nfs/dbraw/zinc/67/20/71/586672071.db2.gz OQUJQPIVRLFJGO-RKDXNWHRSA-N 1 2 246.314 1.807 20 0 BDADLO COc1ccc2nc(C[N@H+]3C[C@@H](C)[C@H]3C)[nH]c2n1 ZINC000815163490 586672072 /nfs/dbraw/zinc/67/20/72/586672072.db2.gz OQUJQPIVRLFJGO-RKDXNWHRSA-N 1 2 246.314 1.807 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cnn(C)c1Cl ZINC000816513785 586738620 /nfs/dbraw/zinc/73/86/20/586738620.db2.gz BNURKVPYWQORKU-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cnn(C)c1Cl ZINC000816513785 586738622 /nfs/dbraw/zinc/73/86/22/586738622.db2.gz BNURKVPYWQORKU-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cnn(C)c2Cl)C1 ZINC000816514476 586738684 /nfs/dbraw/zinc/73/86/84/586738684.db2.gz ZGWPJWGQASHMEF-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cnn(C)c2Cl)C1 ZINC000816514476 586738685 /nfs/dbraw/zinc/73/86/85/586738685.db2.gz ZGWPJWGQASHMEF-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C/C=C(\CC)C(=O)NCc1c[nH+]c(C)nc1N ZINC000816576167 586742095 /nfs/dbraw/zinc/74/20/95/586742095.db2.gz MFSALMUVZKRRRA-RUDMXATFSA-N 1 2 234.303 1.340 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCc1ccccc1 ZINC000816807988 586764995 /nfs/dbraw/zinc/76/49/95/586764995.db2.gz XYNNDCDTTSXOIH-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816812668 586765415 /nfs/dbraw/zinc/76/54/15/586765415.db2.gz WUBUCJWGYDCBLY-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816840236 586767731 /nfs/dbraw/zinc/76/77/31/586767731.db2.gz HDFAPHYIXGDIRE-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO C[C@@H](c1ccco1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816858433 586768121 /nfs/dbraw/zinc/76/81/21/586768121.db2.gz OMGFYHLKTZNZIG-VIFPVBQESA-N 1 2 233.271 1.765 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816861281 586768258 /nfs/dbraw/zinc/76/82/58/586768258.db2.gz RFINJDKMYZGWMB-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816861279 586768921 /nfs/dbraw/zinc/76/89/21/586768921.db2.gz RFINJDKMYZGWMB-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1F ZINC000816888267 586769551 /nfs/dbraw/zinc/76/95/51/586769551.db2.gz IIRGCUKJNGIPQE-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000859829114 589064518 /nfs/dbraw/zinc/06/45/18/589064518.db2.gz LEYNEYXZXLTQCT-NOHGZBONSA-N 1 2 243.347 1.587 20 0 BDADLO C[C@@H](Cc1cccs1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816917361 586771233 /nfs/dbraw/zinc/77/12/33/586771233.db2.gz LFUUDMSIFISTKU-VIFPVBQESA-N 1 2 249.339 1.761 20 0 BDADLO COc1ncc(C)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816942087 586772585 /nfs/dbraw/zinc/77/25/85/586772585.db2.gz CTBTZFWDVHQMHX-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CC23CC3)CCO1 ZINC000817232847 586788001 /nfs/dbraw/zinc/78/80/01/586788001.db2.gz MKVFXGZLZSBNDE-GHMZBOCLSA-N 1 2 239.315 1.050 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CC23CC3)CCO1 ZINC000817232847 586788002 /nfs/dbraw/zinc/78/80/02/586788002.db2.gz MKVFXGZLZSBNDE-GHMZBOCLSA-N 1 2 239.315 1.050 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1CC12CC2 ZINC000817232961 586788007 /nfs/dbraw/zinc/78/80/07/586788007.db2.gz PSPGDRVDPGDFDK-SNVBAGLBSA-N 1 2 233.267 1.934 20 0 BDADLO C[C@]1(C(=O)OCc2cc[nH+]c(N)c2)CC1(F)F ZINC000817252825 586791504 /nfs/dbraw/zinc/79/15/04/586791504.db2.gz UKAPFUJMYAQRCM-SNVBAGLBSA-N 1 2 242.225 1.752 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOCCC1CC1 ZINC000817399006 586800720 /nfs/dbraw/zinc/80/07/20/586800720.db2.gz BGZOPQISUDPVOO-UHFFFAOYSA-N 1 2 223.276 1.121 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1coc(C2CC2)n1 ZINC000817414767 586802556 /nfs/dbraw/zinc/80/25/56/586802556.db2.gz NWEQTSPYRXHPNG-SKDRFNHKSA-N 1 2 236.315 1.897 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1coc(C2CC2)n1 ZINC000817414767 586802557 /nfs/dbraw/zinc/80/25/57/586802557.db2.gz NWEQTSPYRXHPNG-SKDRFNHKSA-N 1 2 236.315 1.897 20 0 BDADLO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000818970220 586918587 /nfs/dbraw/zinc/91/85/87/586918587.db2.gz DJIZRJSMJJQZHE-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000818970220 586918589 /nfs/dbraw/zinc/91/85/89/586918589.db2.gz DJIZRJSMJJQZHE-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)c1nc(N[C@H]2CCNC(=O)CC2)cc[nH+]1 ZINC000840373287 586930711 /nfs/dbraw/zinc/93/07/11/586930711.db2.gz BLHHUVPSEXMCBL-SNVBAGLBSA-N 1 2 248.330 1.681 20 0 BDADLO COc1cc[nH+]cc1NC(=O)/C=C/[C@H]1CCCO1 ZINC000819203357 586938069 /nfs/dbraw/zinc/93/80/69/586938069.db2.gz XKLPIKHHLVZEJA-ORAHPGNNSA-N 1 2 248.282 1.764 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@H]1CCCO1 ZINC000819283400 586947936 /nfs/dbraw/zinc/94/79/36/586947936.db2.gz JYNXTSUXFHVIHR-FOQNGQEVSA-N 1 2 246.310 1.740 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nnnn1C)c1ccns1 ZINC000860057838 589077957 /nfs/dbraw/zinc/07/79/57/589077957.db2.gz BSQDJZVDSZPDKK-RNFRBKRXSA-N 1 2 238.320 1.078 20 0 BDADLO O=C(C(F)=C1CCC1)N1CCn2c[nH+]cc2C1 ZINC000819535522 586975207 /nfs/dbraw/zinc/97/52/07/586975207.db2.gz VWBRXFJFEBDALB-UHFFFAOYSA-N 1 2 235.262 1.633 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819782491 586994563 /nfs/dbraw/zinc/99/45/63/586994563.db2.gz VYIFFRBBHHDKLP-XLPZGREQSA-N 1 2 212.318 1.640 20 0 BDADLO CC(C)C[C@@H](C[NH2+][C@@H](C)CC(=O)[O-])[NH+](C)C ZINC000819966939 587008742 /nfs/dbraw/zinc/00/87/42/587008742.db2.gz IBGGAZRYVOQYRJ-QWRGUYRKSA-N 1 2 230.352 1.416 20 0 BDADLO O=C(/C=C\C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000819972631 587009278 /nfs/dbraw/zinc/00/92/78/587009278.db2.gz ISKMPZSYBIXXMH-ARJAWSKDSA-N 1 2 217.272 1.261 20 0 BDADLO O=C(/C=C\C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000819972631 587009280 /nfs/dbraw/zinc/00/92/80/587009280.db2.gz ISKMPZSYBIXXMH-ARJAWSKDSA-N 1 2 217.272 1.261 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000820043770 587015216 /nfs/dbraw/zinc/01/52/16/587015216.db2.gz HSLOGFYPIBIJOQ-GFCCVEGCSA-N 1 2 247.298 1.533 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000820077534 587018568 /nfs/dbraw/zinc/01/85/68/587018568.db2.gz CPBSLPSBOBAVPV-UTLUCORTSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000820077534 587018570 /nfs/dbraw/zinc/01/85/70/587018570.db2.gz CPBSLPSBOBAVPV-UTLUCORTSA-N 1 2 226.320 1.064 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/[C@@H]1CCCO1 ZINC000820160714 587030159 /nfs/dbraw/zinc/03/01/59/587030159.db2.gz AXNMGOSHBDOXKW-ZWNMCFTASA-N 1 2 236.271 1.199 20 0 BDADLO Cc1ncoc1CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820181419 587032725 /nfs/dbraw/zinc/03/27/25/587032725.db2.gz QGCJZVZNTOKYJH-ONEGZZNKSA-N 1 2 246.270 1.046 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)no1 ZINC000820192941 587033645 /nfs/dbraw/zinc/03/36/45/587033645.db2.gz IGCKAZIBNJSPMY-RKDXNWHRSA-N 1 2 246.270 1.702 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)no1 ZINC000820192941 587033646 /nfs/dbraw/zinc/03/36/46/587033646.db2.gz IGCKAZIBNJSPMY-RKDXNWHRSA-N 1 2 246.270 1.702 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2cn(C)c[nH+]2)[C@H]1C ZINC000820656283 587062878 /nfs/dbraw/zinc/06/28/78/587062878.db2.gz KPLWLLVFFNSFBK-CFUOYWMPSA-N 1 2 219.288 1.300 20 0 BDADLO Cc1nc(C)c(NC(=O)C[NH+]2CCCC2)s1 ZINC000820674411 587065372 /nfs/dbraw/zinc/06/53/72/587065372.db2.gz VVTCCDQBYNGGMP-UHFFFAOYSA-N 1 2 239.344 1.794 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000820858413 587078074 /nfs/dbraw/zinc/07/80/74/587078074.db2.gz YEAGMXJTJMYGCI-BYCRGOAPSA-N 1 2 236.271 1.162 20 0 BDADLO CC(=O)CN(C(=O)/C=C\c1cn(C)c[nH+]1)C(C)C ZINC000820862007 587078109 /nfs/dbraw/zinc/07/81/09/587078109.db2.gz FTLDGJYQSITSGN-WAYWQWQTSA-N 1 2 249.314 1.259 20 0 BDADLO O=Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c32)co1 ZINC000820941986 587083828 /nfs/dbraw/zinc/08/38/28/587083828.db2.gz KWQLQIBHAIMWFV-SNVBAGLBSA-N 1 2 245.238 1.163 20 0 BDADLO CC(C)CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000820966550 587084897 /nfs/dbraw/zinc/08/48/97/587084897.db2.gz OVTWMSPXXKGVEY-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000821080331 587094654 /nfs/dbraw/zinc/09/46/54/587094654.db2.gz NDRIQIFLJURDPU-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO CC(C)ONC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821212498 587101955 /nfs/dbraw/zinc/10/19/55/587101955.db2.gz CXCGVQZRHDOMCJ-UHFFFAOYSA-N 1 2 219.244 1.633 20 0 BDADLO CC(C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000821341630 587109588 /nfs/dbraw/zinc/10/95/88/587109588.db2.gz WNSBTAIKPCAUHJ-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@@H]1CCC(=O)O1 ZINC000821381390 587114647 /nfs/dbraw/zinc/11/46/47/587114647.db2.gz XJBMHCVFKNLUCY-QMMMGPOBSA-N 1 2 226.301 1.281 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@@H]1CCC(=O)O1 ZINC000821381390 587114648 /nfs/dbraw/zinc/11/46/48/587114648.db2.gz XJBMHCVFKNLUCY-QMMMGPOBSA-N 1 2 226.301 1.281 20 0 BDADLO O=C([O-])CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000821524224 587125360 /nfs/dbraw/zinc/12/53/60/587125360.db2.gz SQIVJFLHFCZICW-SNVBAGLBSA-N 1 2 237.303 1.454 20 0 BDADLO O=C([O-])CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000821524224 587125361 /nfs/dbraw/zinc/12/53/61/587125361.db2.gz SQIVJFLHFCZICW-SNVBAGLBSA-N 1 2 237.303 1.454 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C=CCC2)c(C)c[nH+]1 ZINC000822282072 587160800 /nfs/dbraw/zinc/16/08/00/587160800.db2.gz ZCHXVPNITASDAA-NSHDSACASA-N 1 2 231.299 1.960 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@H]2CC=CCC2)c1 ZINC000822364348 587164291 /nfs/dbraw/zinc/16/42/91/587164291.db2.gz GOOAOAPOFAQIQR-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822488212 587171498 /nfs/dbraw/zinc/17/14/98/587171498.db2.gz JODTUKSBGUAWSR-RVAOTSRCSA-N 1 2 249.314 1.117 20 0 BDADLO CC/C(C)=C\C(=O)NCCn1cc[nH+]c1 ZINC000822499991 587172424 /nfs/dbraw/zinc/17/24/24/587172424.db2.gz BZIZXSJIVMBJGH-NTMALXAHSA-N 1 2 207.277 1.356 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2nc(C)cs2)no1 ZINC000822807616 587185876 /nfs/dbraw/zinc/18/58/76/587185876.db2.gz BHZBYOPGGKWKML-LURJTMIESA-N 1 2 240.288 1.148 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822921438 587192994 /nfs/dbraw/zinc/19/29/94/587192994.db2.gz DKAZRBKEYXFVDF-KKZNHRDASA-N 1 2 233.315 1.818 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822921438 587192996 /nfs/dbraw/zinc/19/29/96/587192996.db2.gz DKAZRBKEYXFVDF-KKZNHRDASA-N 1 2 233.315 1.818 20 0 BDADLO COC[C@H]([NH3+])c1nc(CC2(C)CCCC2)no1 ZINC000823224874 587209691 /nfs/dbraw/zinc/20/96/91/587209691.db2.gz BFJJESQMFRJMFZ-VIFPVBQESA-N 1 2 239.319 1.839 20 0 BDADLO CC/C(C)=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000823233882 587210621 /nfs/dbraw/zinc/21/06/21/587210621.db2.gz SOOTVSJKKXOVNN-CMDGGOBGSA-N 1 2 207.277 1.425 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ncc(C)s2)no1 ZINC000823275727 587213153 /nfs/dbraw/zinc/21/31/53/587213153.db2.gz YBQAIBWDAWVONH-LURJTMIESA-N 1 2 240.288 1.148 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)CCOC)n1 ZINC000823399621 587219382 /nfs/dbraw/zinc/21/93/82/587219382.db2.gz LYLBNIFQMDPUHU-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)CCOC)n1 ZINC000823399621 587219383 /nfs/dbraw/zinc/21/93/83/587219383.db2.gz LYLBNIFQMDPUHU-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000823458934 587223512 /nfs/dbraw/zinc/22/35/12/587223512.db2.gz KBFVADGKMPKNOO-SECBINFHSA-N 1 2 242.269 1.828 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000823458934 587223513 /nfs/dbraw/zinc/22/35/13/587223513.db2.gz KBFVADGKMPKNOO-SECBINFHSA-N 1 2 242.269 1.828 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cc(F)ncc1F ZINC000823459725 587224130 /nfs/dbraw/zinc/22/41/30/587224130.db2.gz XBEOHOBJPMCNOT-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cc(F)ncc1F ZINC000823459725 587224131 /nfs/dbraw/zinc/22/41/31/587224131.db2.gz XBEOHOBJPMCNOT-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000823492400 587226678 /nfs/dbraw/zinc/22/66/78/587226678.db2.gz MUXKAJZYIUUPDP-CYBMUJFWSA-N 1 2 248.326 1.232 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000823492400 587226680 /nfs/dbraw/zinc/22/66/80/587226680.db2.gz MUXKAJZYIUUPDP-CYBMUJFWSA-N 1 2 248.326 1.232 20 0 BDADLO CCON(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000824041070 587250671 /nfs/dbraw/zinc/25/06/71/587250671.db2.gz GFXPSTNTZJMSOH-NXEZZACHSA-N 1 2 237.303 1.702 20 0 BDADLO CCON(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000824041070 587250674 /nfs/dbraw/zinc/25/06/74/587250674.db2.gz GFXPSTNTZJMSOH-NXEZZACHSA-N 1 2 237.303 1.702 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC2(C)CC=CC2)c1 ZINC000824254155 587263257 /nfs/dbraw/zinc/26/32/57/587263257.db2.gz LTQFKOSWGWYDHK-AATRIKPKSA-N 1 2 231.299 1.658 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000824277442 587264419 /nfs/dbraw/zinc/26/44/19/587264419.db2.gz UTEQIZSPVURQMF-GARJFASQSA-N 1 2 245.388 1.915 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000824629474 587280232 /nfs/dbraw/zinc/28/02/32/587280232.db2.gz UFESWGJBNHQECY-NVRFYQKYSA-N 1 2 245.326 1.660 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000824629474 587280234 /nfs/dbraw/zinc/28/02/34/587280234.db2.gz UFESWGJBNHQECY-NVRFYQKYSA-N 1 2 245.326 1.660 20 0 BDADLO CCC[C@H](CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000824981952 587296646 /nfs/dbraw/zinc/29/66/46/587296646.db2.gz GJUIMAFYIFCJTE-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000824981952 587296647 /nfs/dbraw/zinc/29/66/47/587296647.db2.gz GJUIMAFYIFCJTE-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000825039065 587299901 /nfs/dbraw/zinc/29/99/01/587299901.db2.gz JVDKGBGBEJOTJN-HMVSXZRPSA-N 1 2 249.314 1.117 20 0 BDADLO CC[C@@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000825375732 587317618 /nfs/dbraw/zinc/31/76/18/587317618.db2.gz IZDWULXHARFLNA-NNNHXZLVSA-N 1 2 233.315 1.738 20 0 BDADLO CCN(CC)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825417404 587318643 /nfs/dbraw/zinc/31/86/43/587318643.db2.gz QWKWEYRRZSXREE-UHFFFAOYSA-N 1 2 232.291 1.416 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OCC(C)C)CO1 ZINC000825671824 587330775 /nfs/dbraw/zinc/33/07/75/587330775.db2.gz QEBDPLCZUUIPPP-QJPTWQEYSA-N 1 2 243.347 1.731 20 0 BDADLO Cn1c[nH+]c(/C=C\C(=O)N[C@@]2(C)CC2(C)C)c1 ZINC000825682814 587331743 /nfs/dbraw/zinc/33/17/43/587331743.db2.gz BBBQTLRAIQEPSF-SZZPACECSA-N 1 2 233.315 1.738 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCOC3)nnn1C1CCC1 ZINC000826023869 587348725 /nfs/dbraw/zinc/34/87/25/587348725.db2.gz JFHLESJMUOSLAP-UHFFFAOYSA-N 1 2 248.330 1.225 20 0 BDADLO c1c(C[NH+]2CC3(CC3)C2)nnn1C1CCC1 ZINC000826030069 587349020 /nfs/dbraw/zinc/34/90/20/587349020.db2.gz NYUYYCNWBMQNDW-UHFFFAOYSA-N 1 2 218.304 1.599 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000826599848 587356373 /nfs/dbraw/zinc/35/63/73/587356373.db2.gz QWLVROVEVWHEAU-GHMZBOCLSA-N 1 2 245.282 1.616 20 0 BDADLO CCCCC[C@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000826753961 587361241 /nfs/dbraw/zinc/36/12/41/587361241.db2.gz XANLSSWYTUURRG-NSHDSACASA-N 1 2 239.319 1.276 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cnc(Cl)n1C ZINC000826770647 587361782 /nfs/dbraw/zinc/36/17/82/587361782.db2.gz YXRNIKRXWZKSSM-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cnc(Cl)n1C ZINC000826770647 587361783 /nfs/dbraw/zinc/36/17/83/587361783.db2.gz YXRNIKRXWZKSSM-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000826817186 587363173 /nfs/dbraw/zinc/36/31/73/587363173.db2.gz RUOAYMYXXKOYSV-GARJFASQSA-N 1 2 248.330 1.408 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(COC)o1 ZINC000827053933 587369276 /nfs/dbraw/zinc/36/92/76/587369276.db2.gz JHLKMXFTPLVWNJ-UHFFFAOYSA-N 1 2 245.294 1.844 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(COC)o1 ZINC000827053933 587369277 /nfs/dbraw/zinc/36/92/77/587369277.db2.gz JHLKMXFTPLVWNJ-UHFFFAOYSA-N 1 2 245.294 1.844 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000827119589 587370463 /nfs/dbraw/zinc/37/04/63/587370463.db2.gz ALNAPCGKJMYJKS-GXSJLCMTSA-N 1 2 248.330 1.768 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]Cc2csnn2)c2ccccc21 ZINC000827178320 587372081 /nfs/dbraw/zinc/37/20/81/587372081.db2.gz HRYMBYZMXIARGX-NEPJUHHUSA-N 1 2 247.323 1.806 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827332204 587377222 /nfs/dbraw/zinc/37/72/22/587377222.db2.gz KXYKWXALNWKKRM-MRVPVSSYSA-N 1 2 240.130 1.675 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827332204 587377223 /nfs/dbraw/zinc/37/72/23/587377223.db2.gz KXYKWXALNWKKRM-MRVPVSSYSA-N 1 2 240.130 1.675 20 0 BDADLO COC[C@@H]1CCCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000827416280 587380582 /nfs/dbraw/zinc/38/05/82/587380582.db2.gz QOFRZWFOOIYXJZ-FJOGCWAESA-N 1 2 249.314 1.071 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCC1CC1 ZINC000828219245 587424806 /nfs/dbraw/zinc/42/48/06/587424806.db2.gz AZJYPNCPMOOXON-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO C[C@@H]1CCC[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828643652 587454958 /nfs/dbraw/zinc/45/49/58/587454958.db2.gz ZEPZOKDLOPLQMX-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO CC(=O)[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000828866525 587467880 /nfs/dbraw/zinc/46/78/80/587467880.db2.gz GHVBFFIQWNSXAR-NWDGAFQWSA-N 1 2 241.331 1.628 20 0 BDADLO CC(=O)[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000828866525 587467881 /nfs/dbraw/zinc/46/78/81/587467881.db2.gz GHVBFFIQWNSXAR-NWDGAFQWSA-N 1 2 241.331 1.628 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828890041 587468904 /nfs/dbraw/zinc/46/89/04/587468904.db2.gz ZBXIRXIHWVFIBU-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC(F)(F)F ZINC000829220389 587488957 /nfs/dbraw/zinc/48/89/57/587488957.db2.gz ISOKGYNFYUWESK-UHFFFAOYSA-N 1 2 221.182 1.021 20 0 BDADLO C/C=C/C=C/C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829472753 587499289 /nfs/dbraw/zinc/49/92/89/587499289.db2.gz REKIOLCDFXADMM-VNKDHWASSA-N 1 2 246.314 1.399 20 0 BDADLO C/C=C/C=C/C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829472753 587499291 /nfs/dbraw/zinc/49/92/91/587499291.db2.gz REKIOLCDFXADMM-VNKDHWASSA-N 1 2 246.314 1.399 20 0 BDADLO Cc1ccccc1C1([NH2+]Cc2cnn(C)n2)CC1 ZINC000829500603 587500868 /nfs/dbraw/zinc/50/08/68/587500868.db2.gz OCWNNQMTUDWOFI-UHFFFAOYSA-N 1 2 242.326 1.902 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000830185874 587540652 /nfs/dbraw/zinc/54/06/52/587540652.db2.gz KGEVLCDNUOMCMD-AXFHLTTASA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@@H](C[C@H](C)O)NC(=O)CCc1[nH]cc[nH+]1 ZINC000831309829 587597165 /nfs/dbraw/zinc/59/71/65/587597165.db2.gz FCMUFYBTGLYSPO-UWVGGRQHSA-N 1 2 239.319 1.008 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2=O)C12CCC2 ZINC000831308494 587597400 /nfs/dbraw/zinc/59/74/00/587597400.db2.gz NCOCWJAJJHDYMI-GMTAPVOTSA-N 1 2 239.315 1.239 20 0 BDADLO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC000831359116 587601050 /nfs/dbraw/zinc/60/10/50/587601050.db2.gz RCIYEECBQJBBTB-MNOVXSKESA-N 1 2 238.335 1.486 20 0 BDADLO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC000831359116 587601052 /nfs/dbraw/zinc/60/10/52/587601052.db2.gz RCIYEECBQJBBTB-MNOVXSKESA-N 1 2 238.335 1.486 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000831507894 587615626 /nfs/dbraw/zinc/61/56/26/587615626.db2.gz FQFBBRWYZXIIRH-ZJUUUORDSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1cnc(CNC(=O)Cc2[nH]cc[nH+]2)c(C)c1 ZINC000831542752 587617870 /nfs/dbraw/zinc/61/78/70/587617870.db2.gz RDDMCKITYZWJEJ-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)CC(=O)N1 ZINC000831764546 587630749 /nfs/dbraw/zinc/63/07/49/587630749.db2.gz XPPLBIVFUUTTDZ-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)CC(=O)N1 ZINC000831764546 587630751 /nfs/dbraw/zinc/63/07/51/587630751.db2.gz XPPLBIVFUUTTDZ-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000832033310 587643778 /nfs/dbraw/zinc/64/37/78/587643778.db2.gz QLJQZUMSVBRXAJ-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CC(C)(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832103791 587645126 /nfs/dbraw/zinc/64/51/26/587645126.db2.gz WGNGJBWBOXHFRJ-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000832181488 587648596 /nfs/dbraw/zinc/64/85/96/587648596.db2.gz QXQUVINNFOVZRF-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC2(CC2)C1 ZINC000832353076 587655946 /nfs/dbraw/zinc/65/59/46/587655946.db2.gz NJOAKWBUVGOPMG-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCO1 ZINC000832445130 587660364 /nfs/dbraw/zinc/66/03/64/587660364.db2.gz PAENDEKQMMNLJG-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@]1(CNC(=O)Cc2c[nH+]c[nH]2)CCCCO1 ZINC000832445130 587660366 /nfs/dbraw/zinc/66/03/66/587660366.db2.gz PAENDEKQMMNLJG-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1CC(=O)OCC(C)C ZINC000832615810 587669671 /nfs/dbraw/zinc/66/96/71/587669671.db2.gz FUQCYCOAHRCOGS-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO COC[C@H]1CCCC[N@H+]1CC(=O)OCC(C)C ZINC000832615810 587669673 /nfs/dbraw/zinc/66/96/73/587669673.db2.gz FUQCYCOAHRCOGS-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832655604 587674085 /nfs/dbraw/zinc/67/40/85/587674085.db2.gz RNAJOFCYQRFORY-BDAKNGLRSA-N 1 2 207.277 1.257 20 0 BDADLO CCCCCCN1CC[N@H+](CCO)C[C@@H]1C ZINC000832782369 587689486 /nfs/dbraw/zinc/68/94/86/587689486.db2.gz HCVKXJOMLCHGAX-ZDUSSCGKSA-N 1 2 228.380 1.565 20 0 BDADLO CCCCCCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000832782369 587689487 /nfs/dbraw/zinc/68/94/87/587689487.db2.gz HCVKXJOMLCHGAX-ZDUSSCGKSA-N 1 2 228.380 1.565 20 0 BDADLO CC(C)(CC(=O)[O-])[NH2+]Cc1cccc2[nH+]ccn21 ZINC000833456454 587715390 /nfs/dbraw/zinc/71/53/90/587715390.db2.gz WRUUVDWCTJHZHV-UHFFFAOYSA-N 1 2 247.298 1.677 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000834311605 587751046 /nfs/dbraw/zinc/75/10/46/587751046.db2.gz YWYWLKBBYIOLKP-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834305356 587751178 /nfs/dbraw/zinc/75/11/78/587751178.db2.gz AXEGUXJZYKFJFM-OUAUKWLOSA-N 1 2 235.331 1.845 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)c2ccccc2C)C1 ZINC000834377133 587753407 /nfs/dbraw/zinc/75/34/07/587753407.db2.gz BKOWBLJJCWANHC-CQSZACIVSA-N 1 2 235.327 1.749 20 0 BDADLO C[C@@H]1CSCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834393102 587754425 /nfs/dbraw/zinc/75/44/25/587754425.db2.gz HHJMKNXNINZFJY-VIFPVBQESA-N 1 2 239.344 1.164 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1(C)CCCC1 ZINC000834679771 587763899 /nfs/dbraw/zinc/76/38/99/587763899.db2.gz XXUZNWGJWCHMIU-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cncn1C ZINC000835441750 587802107 /nfs/dbraw/zinc/80/21/07/587802107.db2.gz AFCKUCNZLKFNBX-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836196656 587828406 /nfs/dbraw/zinc/82/84/06/587828406.db2.gz LQFLEUOZSJYYNM-VHSXEESVSA-N 1 2 236.319 1.816 20 0 BDADLO CC/C=C/CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836522703 587834657 /nfs/dbraw/zinc/83/46/57/587834657.db2.gz JXJBYBAQQZXQNO-HMDXOVGESA-N 1 2 234.303 1.593 20 0 BDADLO CC[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)O ZINC000836863028 587840074 /nfs/dbraw/zinc/84/00/74/587840074.db2.gz PVVSEFUBJBJFCW-VHSXEESVSA-N 1 2 247.298 1.224 20 0 BDADLO CCc1nc(CNC(=O)c2c[nH+]c(C)[nH]2)co1 ZINC000836985706 587845917 /nfs/dbraw/zinc/84/59/17/587845917.db2.gz XUNZITBFOYGRKB-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CO[C@@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000837103968 587854079 /nfs/dbraw/zinc/85/40/79/587854079.db2.gz OZKURNXAKPKPNL-NSHDSACASA-N 1 2 236.315 1.740 20 0 BDADLO CCCCSCC(=O)NC1C[NH+](C(C)C)C1 ZINC000837546174 587880880 /nfs/dbraw/zinc/88/08/80/587880880.db2.gz IPYXQCCFAHNCHR-UHFFFAOYSA-N 1 2 244.404 1.729 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C(F)=C2CCCC2)C1 ZINC000837544752 587881041 /nfs/dbraw/zinc/88/10/41/587881041.db2.gz SLBSPVNIGACXNC-UHFFFAOYSA-N 1 2 240.322 1.993 20 0 BDADLO CC[C@H](CO[NH+]=C(N)[C@H](C)OCC(C)C)OC ZINC000842033859 587990875 /nfs/dbraw/zinc/99/08/75/587990875.db2.gz ZXNSQAWHMCRUHE-WDEREUQCSA-N 1 2 246.351 1.971 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)CC2(CCC2)O1 ZINC000842638507 588047649 /nfs/dbraw/zinc/04/76/49/588047649.db2.gz CAKINQWVEHFJNO-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)CC2(CCC2)O1 ZINC000842638507 588047651 /nfs/dbraw/zinc/04/76/51/588047651.db2.gz CAKINQWVEHFJNO-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO COCC1(CC(=O)OCc2c[nH+]cn2C)CC1 ZINC000842725859 588055991 /nfs/dbraw/zinc/05/59/91/588055991.db2.gz MNCQALFAXSVASB-UHFFFAOYSA-N 1 2 238.287 1.280 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842888713 588071221 /nfs/dbraw/zinc/07/12/21/588071221.db2.gz PLTCHLNVYZRRMB-ZYHUDNBSSA-N 1 2 246.310 1.717 20 0 BDADLO CC[C@H]([NH2+][C@H](C)CCO)C(=O)OC(C)(C)C ZINC000842926340 588072122 /nfs/dbraw/zinc/07/21/22/588072122.db2.gz WSZMGNAFWQARHR-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867499436 588073259 /nfs/dbraw/zinc/07/32/59/588073259.db2.gz LCFKXNVEOADWRK-IEBDPFPHSA-N 1 2 237.303 1.090 20 0 BDADLO CCNCc1noc(C[NH+](CC)CC)n1 ZINC000843140757 588086078 /nfs/dbraw/zinc/08/60/78/588086078.db2.gz CLCKCJQVVSSRSB-UHFFFAOYSA-N 1 2 212.297 1.021 20 0 BDADLO CC[NH2+]Cc1noc([C@]2(C)CCCOC2)n1 ZINC000843144647 588086420 /nfs/dbraw/zinc/08/64/20/588086420.db2.gz FYBJFTLFTIYEHW-LLVKDONJSA-N 1 2 225.292 1.247 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCO[C@H](CC)C2)n1 ZINC000843145133 588086754 /nfs/dbraw/zinc/08/67/54/588086754.db2.gz UVPGJLBNSHCQIO-VHSXEESVSA-N 1 2 239.319 1.852 20 0 BDADLO Cc1cc[nH+]cc1CCCN1CN(C)C(=O)[C@@H]1C ZINC000843435817 588109827 /nfs/dbraw/zinc/10/98/27/588109827.db2.gz TZXFYCKFPFZXOB-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1(F)CC1 ZINC000843547882 588121648 /nfs/dbraw/zinc/12/16/48/588121648.db2.gz NXBYSWWZNSZNMR-UHFFFAOYSA-N 1 2 219.219 1.775 20 0 BDADLO COC1(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC000843556049 588122917 /nfs/dbraw/zinc/12/29/17/588122917.db2.gz CMPFLYWJPYKNSA-UHFFFAOYSA-N 1 2 231.255 1.452 20 0 BDADLO Cc1ccc(NC(=O)C2(F)CC2)c(N(C)C)[nH+]1 ZINC000843567403 588124264 /nfs/dbraw/zinc/12/42/64/588124264.db2.gz BWCWEUZFECDAJP-UHFFFAOYSA-N 1 2 237.278 1.897 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2(F)CC2)c[nH+]1 ZINC000843605121 588129463 /nfs/dbraw/zinc/12/94/63/588129463.db2.gz UHXPRKRBKLPHAB-UHFFFAOYSA-N 1 2 222.263 1.817 20 0 BDADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(F)CC1 ZINC000843817139 588142662 /nfs/dbraw/zinc/14/26/62/588142662.db2.gz NLIFBVMFIJAUSY-UHFFFAOYSA-N 1 2 237.278 1.618 20 0 BDADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(F)CC1 ZINC000843817139 588142663 /nfs/dbraw/zinc/14/26/63/588142663.db2.gz NLIFBVMFIJAUSY-UHFFFAOYSA-N 1 2 237.278 1.618 20 0 BDADLO C[NH+](C)CC(=O)Oc1cccc2c1OCCC2 ZINC000844011206 588155567 /nfs/dbraw/zinc/15/55/67/588155567.db2.gz BBBDSMORZQAGSH-UHFFFAOYSA-N 1 2 235.283 1.479 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000844137478 588169594 /nfs/dbraw/zinc/16/95/94/588169594.db2.gz PTTYFEDJMSVJDU-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]2C[C@@H]21 ZINC000844138389 588169895 /nfs/dbraw/zinc/16/98/95/588169895.db2.gz BTNOYQFMWINIFK-WZRBSPASSA-N 1 2 245.326 1.456 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000844316011 588183271 /nfs/dbraw/zinc/18/32/71/588183271.db2.gz ZTYOWPQIBVFVDC-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000844316011 588183273 /nfs/dbraw/zinc/18/32/73/588183273.db2.gz ZTYOWPQIBVFVDC-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000844316009 588183768 /nfs/dbraw/zinc/18/37/68/588183768.db2.gz ZTYOWPQIBVFVDC-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000844316009 588183769 /nfs/dbraw/zinc/18/37/69/588183769.db2.gz ZTYOWPQIBVFVDC-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)OCC(C)C ZINC000844374299 588188417 /nfs/dbraw/zinc/18/84/17/588188417.db2.gz GDZGSMDRBZTXNB-RYUDHWBXSA-N 1 2 245.363 1.572 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC2(CC2(F)F)CC1 ZINC000844410839 588190863 /nfs/dbraw/zinc/19/08/63/588190863.db2.gz ZSPDUGIOGRELIA-MRVPVSSYSA-N 1 2 231.242 1.423 20 0 BDADLO C[C@@H](CC(=O)NCc1ccon1)n1cc[nH+]c1 ZINC000844414902 588191111 /nfs/dbraw/zinc/19/11/11/588191111.db2.gz JJMQZLISSYDWJS-VIFPVBQESA-N 1 2 234.259 1.139 20 0 BDADLO CCc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844449629 588195084 /nfs/dbraw/zinc/19/50/84/588195084.db2.gz HGWHLOXADMHJSZ-DTORHVGOSA-N 1 2 228.242 1.934 20 0 BDADLO CCc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000844449629 588195086 /nfs/dbraw/zinc/19/50/86/588195086.db2.gz HGWHLOXADMHJSZ-DTORHVGOSA-N 1 2 228.242 1.934 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000844454548 588195743 /nfs/dbraw/zinc/19/57/43/588195743.db2.gz ZUXQZHUOZIXDHP-OCAPTIKFSA-N 1 2 200.188 1.372 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000844454548 588195744 /nfs/dbraw/zinc/19/57/44/588195744.db2.gz ZUXQZHUOZIXDHP-OCAPTIKFSA-N 1 2 200.188 1.372 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(F)F ZINC000844557772 588202268 /nfs/dbraw/zinc/20/22/68/588202268.db2.gz SFTGAYLKMBKSIH-ZCFIWIBFSA-N 1 2 217.219 1.345 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@H](C)C2=O)[C@H](C)CO1 ZINC000844727185 588215240 /nfs/dbraw/zinc/21/52/40/588215240.db2.gz DNTLWPJBQBWFHW-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@H](C)C2=O)[C@H](C)CO1 ZINC000844727185 588215241 /nfs/dbraw/zinc/21/52/41/588215241.db2.gz DNTLWPJBQBWFHW-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO O=C1SCCN1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844752378 588215885 /nfs/dbraw/zinc/21/58/85/588215885.db2.gz GQFBYRBNGBUNBD-KNVOCYPGSA-N 1 2 234.271 1.310 20 0 BDADLO O=C1SCCN1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844752378 588215886 /nfs/dbraw/zinc/21/58/86/588215886.db2.gz GQFBYRBNGBUNBD-KNVOCYPGSA-N 1 2 234.271 1.310 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844755692 588216220 /nfs/dbraw/zinc/21/62/20/588216220.db2.gz WPAHCDCRFISJLZ-HLTSFMKQSA-N 1 2 230.258 1.009 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844755692 588216221 /nfs/dbraw/zinc/21/62/21/588216221.db2.gz WPAHCDCRFISJLZ-HLTSFMKQSA-N 1 2 230.258 1.009 20 0 BDADLO C/C=C/COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845277570 588225141 /nfs/dbraw/zinc/22/51/41/588225141.db2.gz HTXUHFPKBNZHAH-HMDXOVGESA-N 1 2 208.261 1.954 20 0 BDADLO COCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282060 588225483 /nfs/dbraw/zinc/22/54/83/588225483.db2.gz LWVRHINSMKKRKR-SNVBAGLBSA-N 1 2 226.276 1.414 20 0 BDADLO C[C@@H](CC(=O)OCC1CC1)n1cc[nH+]c1 ZINC000845280745 588225582 /nfs/dbraw/zinc/22/55/82/588225582.db2.gz DKAGPMHOIVAHHV-VIFPVBQESA-N 1 2 208.261 1.787 20 0 BDADLO C[C@H](CC(=O)OCCC(C)(C)O)n1cc[nH+]c1 ZINC000845283614 588225665 /nfs/dbraw/zinc/22/56/65/588225665.db2.gz FHBYFHXNEVDWJJ-SNVBAGLBSA-N 1 2 240.303 1.538 20 0 BDADLO CCOCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283390 588225802 /nfs/dbraw/zinc/22/58/02/588225802.db2.gz WMKWZFHBWVGLOC-NSHDSACASA-N 1 2 240.303 1.804 20 0 BDADLO C[C@H](O)CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284091 588225911 /nfs/dbraw/zinc/22/59/11/588225911.db2.gz KNQXBPZSHUGILZ-QWRGUYRKSA-N 1 2 240.303 1.538 20 0 BDADLO C[C@@H](CC(=O)OCc1cn[nH]c1)n1cc[nH+]c1 ZINC000845286130 588225932 /nfs/dbraw/zinc/22/59/32/588225932.db2.gz VKHCMZMBLMHGST-VIFPVBQESA-N 1 2 234.259 1.301 20 0 BDADLO C=COCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845501184 588230576 /nfs/dbraw/zinc/23/05/76/588230576.db2.gz DZJAUWREYRDZLV-SNVBAGLBSA-N 1 2 224.260 1.538 20 0 BDADLO CC1(C)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845583420 588234022 /nfs/dbraw/zinc/23/40/22/588234022.db2.gz PNKUROBKRVNRRB-UHFFFAOYSA-N 1 2 247.342 1.773 20 0 BDADLO CC(C)c1nc(N[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000845664923 588240475 /nfs/dbraw/zinc/24/04/75/588240475.db2.gz OIJLKNIMQSIJCM-DTORHVGOSA-N 1 2 234.303 1.276 20 0 BDADLO CO[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000845713068 588242035 /nfs/dbraw/zinc/24/20/35/588242035.db2.gz CIEIWBBZTOLNKM-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO CCONC(=O)C[NH2+]C/C(C)=C\c1ccccc1 ZINC000846088818 588256289 /nfs/dbraw/zinc/25/62/89/588256289.db2.gz LRUPYKPNXYVPPH-XFXZXTDPSA-N 1 2 248.326 1.747 20 0 BDADLO CCONC(=O)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000846089256 588256344 /nfs/dbraw/zinc/25/63/44/588256344.db2.gz QGDKFHWHYXLGNL-UWVGGRQHSA-N 1 2 228.336 1.468 20 0 BDADLO CC(C)ONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846236683 588260261 /nfs/dbraw/zinc/26/02/61/588260261.db2.gz AUQQRUVZRCEHDL-VIFPVBQESA-N 1 2 211.265 1.290 20 0 BDADLO CC(C)(NC(=O)C(F)F)c1[nH]cc[nH+]1 ZINC000846245022 588262458 /nfs/dbraw/zinc/26/24/58/588262458.db2.gz XBZAPOPBAWXZPH-UHFFFAOYSA-N 1 2 203.192 1.026 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846803240 588289304 /nfs/dbraw/zinc/28/93/04/588289304.db2.gz BQRNONCBIYBJIY-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846803240 588289305 /nfs/dbraw/zinc/28/93/05/588289305.db2.gz BQRNONCBIYBJIY-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846810263 588290526 /nfs/dbraw/zinc/29/05/26/588290526.db2.gz ASOYWUOINPNZCY-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846810263 588290527 /nfs/dbraw/zinc/29/05/27/588290527.db2.gz ASOYWUOINPNZCY-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO CCOC[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846812740 588290863 /nfs/dbraw/zinc/29/08/63/588290863.db2.gz WHQHPRLGNOFHNP-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CCOC[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846812740 588290864 /nfs/dbraw/zinc/29/08/64/588290864.db2.gz WHQHPRLGNOFHNP-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO OCC[C@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846843548 588292808 /nfs/dbraw/zinc/29/28/08/588292808.db2.gz RIIZLBUMFMOUCD-LBPRGKRZSA-N 1 2 249.339 1.751 20 0 BDADLO C[N@@H+](Cc1cnsn1)CC1CCOCC1 ZINC000846841571 588292871 /nfs/dbraw/zinc/29/28/71/588292871.db2.gz YVHWTFDBVPUCML-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1cnsn1)CC1CCOCC1 ZINC000846841571 588292872 /nfs/dbraw/zinc/29/28/72/588292872.db2.gz YVHWTFDBVPUCML-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCOCC[C@H]2C)on1 ZINC000846847454 588292954 /nfs/dbraw/zinc/29/29/54/588292954.db2.gz MOZPMWPERQQQQO-SECBINFHSA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCOCC[C@H]2C)on1 ZINC000846847454 588292955 /nfs/dbraw/zinc/29/29/55/588292955.db2.gz MOZPMWPERQQQQO-SECBINFHSA-N 1 2 238.287 1.488 20 0 BDADLO C[C@@H]1CCSCC[N@@H+]1Cc1cnsn1 ZINC000846873482 588294676 /nfs/dbraw/zinc/29/46/76/588294676.db2.gz UAGWOFHMZCWNTI-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CCSCC[N@H+]1Cc1cnsn1 ZINC000846873482 588294677 /nfs/dbraw/zinc/29/46/77/588294677.db2.gz UAGWOFHMZCWNTI-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cc2cnsn2)C1 ZINC000846890898 588295491 /nfs/dbraw/zinc/29/54/91/588295491.db2.gz KNTVYSNSZVKJET-QMMMGPOBSA-N 1 2 209.318 1.936 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cc2cnsn2)C1 ZINC000846890898 588295492 /nfs/dbraw/zinc/29/54/92/588295492.db2.gz KNTVYSNSZVKJET-QMMMGPOBSA-N 1 2 209.318 1.936 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnsn2)[C@H](C)C1 ZINC000846890742 588295538 /nfs/dbraw/zinc/29/55/38/588295538.db2.gz VSACWRRIDXIULO-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnsn2)[C@H](C)C1 ZINC000846890742 588295539 /nfs/dbraw/zinc/29/55/39/588295539.db2.gz VSACWRRIDXIULO-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000846911238 588296403 /nfs/dbraw/zinc/29/64/03/588296403.db2.gz PVVQMVDGSZVDMP-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000846911238 588296404 /nfs/dbraw/zinc/29/64/04/588296404.db2.gz PVVQMVDGSZVDMP-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnsn2)C12CCCC2 ZINC000846926178 588297248 /nfs/dbraw/zinc/29/72/48/588297248.db2.gz UOWKCKOWUNPEPY-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnsn2)C12CCCC2 ZINC000846926178 588297249 /nfs/dbraw/zinc/29/72/49/588297249.db2.gz UOWKCKOWUNPEPY-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO COCc1nc(C[NH2+][C@H]2CCC2(C)C)no1 ZINC000846957294 588298536 /nfs/dbraw/zinc/29/85/36/588298536.db2.gz IYEJZPWMNYIVFV-QMMMGPOBSA-N 1 2 225.292 1.494 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnsn2)C[C@H]1C ZINC000846957867 588298639 /nfs/dbraw/zinc/29/86/39/588298639.db2.gz MUPIOBKWRFTZQZ-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnsn2)C[C@H]1C ZINC000846957867 588298640 /nfs/dbraw/zinc/29/86/40/588298640.db2.gz MUPIOBKWRFTZQZ-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CCOC(C[N@H+](CC)[C@@H]1CCOC1=O)OCC ZINC000846970137 588299028 /nfs/dbraw/zinc/29/90/28/588299028.db2.gz KEYQKLSVEFLJPZ-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO CCOC(C[N@@H+](CC)[C@@H]1CCOC1=O)OCC ZINC000846970137 588299029 /nfs/dbraw/zinc/29/90/29/588299029.db2.gz KEYQKLSVEFLJPZ-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO CC(C)n1ccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000846985950 588300417 /nfs/dbraw/zinc/30/04/17/588300417.db2.gz GNVDLNRIUKGBIY-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO CC(=O)CC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000847057180 588305268 /nfs/dbraw/zinc/30/52/68/588305268.db2.gz LSTXWHHOVIDOAU-MRVPVSSYSA-N 1 2 211.265 1.350 20 0 BDADLO CC(=O)CC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000847057180 588305269 /nfs/dbraw/zinc/30/52/69/588305269.db2.gz LSTXWHHOVIDOAU-MRVPVSSYSA-N 1 2 211.265 1.350 20 0 BDADLO COc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c32)o1 ZINC000847061798 588305518 /nfs/dbraw/zinc/30/55/18/588305518.db2.gz LNHUMJBLEZPLKZ-QMMMGPOBSA-N 1 2 247.254 1.360 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)O[C@@H]1CCOC1 ZINC000107007186 588321649 /nfs/dbraw/zinc/32/16/49/588321649.db2.gz NNLWCZDAGIKLPQ-LLVKDONJSA-N 1 2 246.266 1.209 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOC1CCCC1 ZINC000847661952 588324498 /nfs/dbraw/zinc/32/44/98/588324498.db2.gz HWVMREFDNWJBHO-VIFPVBQESA-N 1 2 237.303 1.579 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOC1CCCC1 ZINC000847661952 588324500 /nfs/dbraw/zinc/32/45/00/588324500.db2.gz HWVMREFDNWJBHO-VIFPVBQESA-N 1 2 237.303 1.579 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCC=CO1 ZINC000848174793 588365197 /nfs/dbraw/zinc/36/51/97/588365197.db2.gz WFVLKBKWRVOLHA-SNVBAGLBSA-N 1 2 235.287 1.212 20 0 BDADLO COc1c(C)cccc1C[NH2+]Cc1cnn(C)n1 ZINC000848565130 588398440 /nfs/dbraw/zinc/39/84/40/588398440.db2.gz SSGKHFSDOLRQAT-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccon1 ZINC000848668457 588404622 /nfs/dbraw/zinc/40/46/22/588404622.db2.gz UIGQGBMUEKPCOW-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CCC=CO1 ZINC000848687021 588405788 /nfs/dbraw/zinc/40/57/88/588405788.db2.gz QGKJBJKSTZMLQB-SNVBAGLBSA-N 1 2 235.287 1.898 20 0 BDADLO CC(C)(C)c1nc(N[C@@H]2COC(=O)C2)cc[nH+]1 ZINC000848710064 588407685 /nfs/dbraw/zinc/40/76/85/588407685.db2.gz ZTPWNKHXZROBBR-QMMMGPOBSA-N 1 2 235.287 1.502 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000848885912 588416819 /nfs/dbraw/zinc/41/68/19/588416819.db2.gz CKTHZDVZYNMIBL-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000848885912 588416820 /nfs/dbraw/zinc/41/68/20/588416820.db2.gz CKTHZDVZYNMIBL-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO Cn1c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cnc1Cl ZINC000848908534 588419094 /nfs/dbraw/zinc/41/90/94/588419094.db2.gz WVFVWAGJLCHQAP-VIFPVBQESA-N 1 2 243.738 1.276 20 0 BDADLO Cn1c(C[N@H+]2C[C@H](O)C(C)(C)C2)cnc1Cl ZINC000848908534 588419095 /nfs/dbraw/zinc/41/90/95/588419095.db2.gz WVFVWAGJLCHQAP-VIFPVBQESA-N 1 2 243.738 1.276 20 0 BDADLO FC1(F)CC12C[NH+](Cc1cnccn1)C2 ZINC000848920464 588421155 /nfs/dbraw/zinc/42/11/55/588421155.db2.gz DIGGMWZNVVZWAM-UHFFFAOYSA-N 1 2 211.215 1.318 20 0 BDADLO CC(C)CN(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000849395044 588476349 /nfs/dbraw/zinc/47/63/49/588476349.db2.gz MNLACKHGYSUYHZ-JTQLQIEISA-N 1 2 236.319 1.625 20 0 BDADLO CCCN(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000849396786 588476429 /nfs/dbraw/zinc/47/64/29/588476429.db2.gz ORXKEWVKNNXPAY-ZJUUUORDSA-N 1 2 236.319 1.940 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000849395415 588476535 /nfs/dbraw/zinc/47/65/35/588476535.db2.gz VRCPKZFUMCCWSH-UWVGGRQHSA-N 1 2 234.303 1.379 20 0 BDADLO CC(C)[C@H](O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000849733693 588491086 /nfs/dbraw/zinc/49/10/86/588491086.db2.gz UOBGYHXNQHHVLB-GHMZBOCLSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)[C@H](O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000849733693 588491087 /nfs/dbraw/zinc/49/10/87/588491087.db2.gz UOBGYHXNQHHVLB-GHMZBOCLSA-N 1 2 229.320 1.031 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(C)C)C1 ZINC000849734600 588491630 /nfs/dbraw/zinc/49/16/30/588491630.db2.gz MAIODYCGPJOJMB-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(C)C)C1 ZINC000849734600 588491631 /nfs/dbraw/zinc/49/16/31/588491631.db2.gz MAIODYCGPJOJMB-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OCC[C@@H](C)O)ccn12 ZINC000849821645 588503160 /nfs/dbraw/zinc/50/31/60/588503160.db2.gz UWIDXMMUPKVZCD-SNVBAGLBSA-N 1 2 248.282 1.570 20 0 BDADLO Cc1[nH]c(CNCc2cccc(F)n2)[nH+]c1C ZINC000850221624 588530189 /nfs/dbraw/zinc/53/01/89/588530189.db2.gz MPMXNXUGDVOJBU-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO Cc1nc(C[NH2+]Cc2cccc(F)n2)[nH]c1C ZINC000850221624 588530190 /nfs/dbraw/zinc/53/01/90/588530190.db2.gz MPMXNXUGDVOJBU-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850264174 588533526 /nfs/dbraw/zinc/53/35/26/588533526.db2.gz ULVDRBNAEZJYHE-URLYPYJESA-N 1 2 220.272 1.472 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850264676 588533595 /nfs/dbraw/zinc/53/35/95/588533595.db2.gz KKAYFIBRCGUJPY-URLYPYJESA-N 1 2 234.299 1.552 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)s1 ZINC000850352437 588538291 /nfs/dbraw/zinc/53/82/91/588538291.db2.gz WMAPNQXAKAXIIA-XVKPBYJWSA-N 1 2 249.343 1.839 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CC[C@H]2C2CC2)[nH]1 ZINC000850513754 588555891 /nfs/dbraw/zinc/55/58/91/588555891.db2.gz BRTLDXCGSJNRLK-VHSXEESVSA-N 1 2 236.319 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)[nH]1 ZINC000850514887 588555982 /nfs/dbraw/zinc/55/59/82/588555982.db2.gz RLDDLYBZTOJGKU-NXEZZACHSA-N 1 2 238.335 1.475 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCCF ZINC000850868752 588569677 /nfs/dbraw/zinc/56/96/77/588569677.db2.gz IYCIFDIFOYJSLK-UHFFFAOYSA-N 1 2 200.213 1.213 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)CCCF ZINC000850970024 588580648 /nfs/dbraw/zinc/58/06/48/588580648.db2.gz MMZJBEWUTZHQFW-UHFFFAOYSA-N 1 2 228.267 1.646 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)n2)[C@@H](C)CO1 ZINC000851716675 588616179 /nfs/dbraw/zinc/61/61/79/588616179.db2.gz PJBZUGPEDLTENC-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)n2)[C@@H](C)CO1 ZINC000851716675 588616180 /nfs/dbraw/zinc/61/61/80/588616180.db2.gz PJBZUGPEDLTENC-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)Cc2ccccc21 ZINC000851720417 588617362 /nfs/dbraw/zinc/61/73/62/588617362.db2.gz JCYJJBOTVZFJGJ-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)Cc2ccccc21 ZINC000851720417 588617363 /nfs/dbraw/zinc/61/73/63/588617363.db2.gz JCYJJBOTVZFJGJ-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO CC(C)[N@H+](Cc1cnon1)Cc1ccccn1 ZINC000851731216 588619345 /nfs/dbraw/zinc/61/93/45/588619345.db2.gz LZXYYHXGBCGOJO-UHFFFAOYSA-N 1 2 232.287 1.875 20 0 BDADLO CC(C)[N@@H+](Cc1cnon1)Cc1ccccn1 ZINC000851731216 588619346 /nfs/dbraw/zinc/61/93/46/588619346.db2.gz LZXYYHXGBCGOJO-UHFFFAOYSA-N 1 2 232.287 1.875 20 0 BDADLO CC(C)COC1CC[NH+](Cc2cnon2)CC1 ZINC000851732848 588620163 /nfs/dbraw/zinc/62/01/63/588620163.db2.gz DIHPYTIDEVXQTQ-UHFFFAOYSA-N 1 2 239.319 1.707 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@H]1COC(C)(C)O1 ZINC000851735370 588620545 /nfs/dbraw/zinc/62/05/45/588620545.db2.gz UWKIQIYPHIDYNF-SNVBAGLBSA-N 1 2 242.344 1.726 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@H]1COC(C)(C)O1 ZINC000851735370 588620546 /nfs/dbraw/zinc/62/05/46/588620546.db2.gz UWKIQIYPHIDYNF-SNVBAGLBSA-N 1 2 242.344 1.726 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnon2)CCS1 ZINC000851792711 588626619 /nfs/dbraw/zinc/62/66/19/588626619.db2.gz QYJPBPKVKWIMFV-VIFPVBQESA-N 1 2 213.306 1.397 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnon2)CCS1 ZINC000851792711 588626620 /nfs/dbraw/zinc/62/66/20/588626620.db2.gz QYJPBPKVKWIMFV-VIFPVBQESA-N 1 2 213.306 1.397 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1ccccc1F ZINC000851874627 588637990 /nfs/dbraw/zinc/63/79/90/588637990.db2.gz IIELOPHJMKKEHL-LBPRGKRZSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1ccccc1F ZINC000851874627 588637991 /nfs/dbraw/zinc/63/79/91/588637991.db2.gz IIELOPHJMKKEHL-LBPRGKRZSA-N 1 2 249.289 1.714 20 0 BDADLO Cc1cc(C2CC[NH+](Cc3cnon3)CC2)[nH]n1 ZINC000851889551 588640299 /nfs/dbraw/zinc/64/02/99/588640299.db2.gz BFXCVBRXRWXGPO-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1cc(C2CC[NH+](Cc3cnon3)CC2)n[nH]1 ZINC000851889551 588640300 /nfs/dbraw/zinc/64/03/00/588640300.db2.gz BFXCVBRXRWXGPO-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000851975494 588650562 /nfs/dbraw/zinc/65/05/62/588650562.db2.gz IKSQECGGFMRCSU-OPRDCNLKSA-N 1 2 235.274 1.256 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000851975494 588650563 /nfs/dbraw/zinc/65/05/63/588650563.db2.gz IKSQECGGFMRCSU-OPRDCNLKSA-N 1 2 235.274 1.256 20 0 BDADLO CO[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@@H]1OC ZINC000851982910 588651221 /nfs/dbraw/zinc/65/12/21/588651221.db2.gz QRCUNRGHNSIOQF-OCAPTIKFSA-N 1 2 240.130 1.651 20 0 BDADLO CO[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@@H]1OC ZINC000851982910 588651222 /nfs/dbraw/zinc/65/12/22/588651222.db2.gz QRCUNRGHNSIOQF-OCAPTIKFSA-N 1 2 240.130 1.651 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C=CCC1 ZINC000851996456 588653428 /nfs/dbraw/zinc/65/34/28/588653428.db2.gz RAASJNHDJWWPLT-GFCCVEGCSA-N 1 2 248.330 1.681 20 0 BDADLO CC[N@H+](CC=C(Cl)Cl)[C@H]1CCNC1=O ZINC000852012492 588655331 /nfs/dbraw/zinc/65/53/31/588655331.db2.gz KEPYCEPNCIQABG-ZETCQYMHSA-N 1 2 237.130 1.516 20 0 BDADLO CC[N@@H+](CC=C(Cl)Cl)[C@H]1CCNC1=O ZINC000852012492 588655332 /nfs/dbraw/zinc/65/53/32/588655332.db2.gz KEPYCEPNCIQABG-ZETCQYMHSA-N 1 2 237.130 1.516 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1ccsc1 ZINC000852016852 588655428 /nfs/dbraw/zinc/65/54/28/588655428.db2.gz MWSARDBEFVHKBT-SSDOTTSWSA-N 1 2 209.274 1.982 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCCC[C@H]2C(F)F)O1 ZINC000852015502 588655596 /nfs/dbraw/zinc/65/55/96/588655596.db2.gz LSIRYIBUCNEBHV-IUCAKERBSA-N 1 2 233.258 1.812 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCCC[C@H]2C(F)F)O1 ZINC000852015502 588655597 /nfs/dbraw/zinc/65/55/97/588655597.db2.gz LSIRYIBUCNEBHV-IUCAKERBSA-N 1 2 233.258 1.812 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1CCOC(F)F ZINC000852046015 588657387 /nfs/dbraw/zinc/65/73/87/588657387.db2.gz MECCKBAQINCSAH-SSDOTTSWSA-N 1 2 245.216 1.582 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1CCOC(F)F ZINC000852046015 588657388 /nfs/dbraw/zinc/65/73/88/588657388.db2.gz MECCKBAQINCSAH-SSDOTTSWSA-N 1 2 245.216 1.582 20 0 BDADLO COCCOCC[N@H+](C)CC=C(Cl)Cl ZINC000852053650 588657730 /nfs/dbraw/zinc/65/77/30/588657730.db2.gz CSZSBHGTCFXXMR-UHFFFAOYSA-N 1 2 242.146 1.900 20 0 BDADLO COCCOCC[N@@H+](C)CC=C(Cl)Cl ZINC000852053650 588657731 /nfs/dbraw/zinc/65/77/31/588657731.db2.gz CSZSBHGTCFXXMR-UHFFFAOYSA-N 1 2 242.146 1.900 20 0 BDADLO CCC(=O)CCN1CCn2c[nH+]cc2C1 ZINC000852067245 588659057 /nfs/dbraw/zinc/65/90/57/588659057.db2.gz WXNYZNJPTGJKNA-UHFFFAOYSA-N 1 2 207.277 1.068 20 0 BDADLO C[N@H+](CCOC(F)F)[C@@H]1CC(C)(C)OC1=O ZINC000852079049 588660438 /nfs/dbraw/zinc/66/04/38/588660438.db2.gz KZUKMBBDCZFMCF-SSDOTTSWSA-N 1 2 237.246 1.252 20 0 BDADLO C[N@@H+](CCOC(F)F)[C@@H]1CC(C)(C)OC1=O ZINC000852079049 588660439 /nfs/dbraw/zinc/66/04/39/588660439.db2.gz KZUKMBBDCZFMCF-SSDOTTSWSA-N 1 2 237.246 1.252 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2cnon2)cn1 ZINC000852142886 588666925 /nfs/dbraw/zinc/66/69/25/588666925.db2.gz DJTFIGQKHXKMRU-QMMMGPOBSA-N 1 2 221.264 1.137 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](CCOC(F)F)C2)n[nH]1 ZINC000852176756 588669822 /nfs/dbraw/zinc/66/98/22/588669822.db2.gz WUQQVNUITWUCHE-QMMMGPOBSA-N 1 2 246.261 1.142 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](CCOC(F)F)C2)n[nH]1 ZINC000852176756 588669823 /nfs/dbraw/zinc/66/98/23/588669823.db2.gz WUQQVNUITWUCHE-QMMMGPOBSA-N 1 2 246.261 1.142 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cnon1 ZINC000852211643 588672639 /nfs/dbraw/zinc/67/26/39/588672639.db2.gz VKMFECAQZYEQIQ-JTQLQIEISA-N 1 2 225.292 1.459 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cnon1 ZINC000852211643 588672640 /nfs/dbraw/zinc/67/26/40/588672640.db2.gz VKMFECAQZYEQIQ-JTQLQIEISA-N 1 2 225.292 1.459 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000852270823 588675029 /nfs/dbraw/zinc/67/50/29/588675029.db2.gz SNMKCXPHKMETNF-UWVGGRQHSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000852270823 588675030 /nfs/dbraw/zinc/67/50/30/588675030.db2.gz SNMKCXPHKMETNF-UWVGGRQHSA-N 1 2 236.319 1.740 20 0 BDADLO CC(C)CC(=O)CC[N@H+](C)Cc1cnc[nH]1 ZINC000852289094 588676520 /nfs/dbraw/zinc/67/65/20/588676520.db2.gz XUBGBLBAITZUFN-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC(C)CC(=O)CC[N@@H+](C)Cc1cnc[nH]1 ZINC000852289094 588676521 /nfs/dbraw/zinc/67/65/21/588676521.db2.gz XUBGBLBAITZUFN-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC(C)CC(=O)CC[N@H+](C)Cc1c[nH]cn1 ZINC000852289094 588676522 /nfs/dbraw/zinc/67/65/22/588676522.db2.gz XUBGBLBAITZUFN-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC(C)CC(=O)CC[N@@H+](C)Cc1c[nH]cn1 ZINC000852289094 588676523 /nfs/dbraw/zinc/67/65/23/588676523.db2.gz XUBGBLBAITZUFN-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000852320829 588678190 /nfs/dbraw/zinc/67/81/90/588678190.db2.gz PJVVMTOMWNVTLV-ZYHUDNBSSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cn1 ZINC000852323460 588678243 /nfs/dbraw/zinc/67/82/43/588678243.db2.gz JBXFSCNNXCGXHA-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cn1 ZINC000852323460 588678244 /nfs/dbraw/zinc/67/82/44/588678244.db2.gz JBXFSCNNXCGXHA-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CC1(C)CC(NC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000852364009 588680091 /nfs/dbraw/zinc/68/00/91/588680091.db2.gz VKPFEPWSAMCCBW-JTQLQIEISA-N 1 2 248.330 1.816 20 0 BDADLO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1cscn1 ZINC000852418124 588681864 /nfs/dbraw/zinc/68/18/64/588681864.db2.gz PBAGOFYOMQUCLQ-VGANXODHSA-N 1 2 240.328 1.913 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H](O)c2ccccc2)o1 ZINC000852471520 588683218 /nfs/dbraw/zinc/68/32/18/588683218.db2.gz SZMFYNYIPWPSMT-LBPRGKRZSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H](O)c2ccccc2)o1 ZINC000852471520 588683219 /nfs/dbraw/zinc/68/32/19/588683219.db2.gz SZMFYNYIPWPSMT-LBPRGKRZSA-N 1 2 247.298 1.543 20 0 BDADLO COCC[N@H+](CCF)CCc1c(C)noc1C ZINC000852480824 588684187 /nfs/dbraw/zinc/68/41/87/588684187.db2.gz DCAVDAZVLUIJKG-UHFFFAOYSA-N 1 2 244.310 1.752 20 0 BDADLO COCC[N@@H+](CCF)CCc1c(C)noc1C ZINC000852480824 588684188 /nfs/dbraw/zinc/68/41/88/588684188.db2.gz DCAVDAZVLUIJKG-UHFFFAOYSA-N 1 2 244.310 1.752 20 0 BDADLO COCC[N@H+](CCF)[C@H](C)C(=O)NC(C)(C)C ZINC000852484331 588684858 /nfs/dbraw/zinc/68/48/58/588684858.db2.gz ADMHFNWBVGZXKV-SNVBAGLBSA-N 1 2 248.342 1.208 20 0 BDADLO COCC[N@@H+](CCF)[C@H](C)C(=O)NC(C)(C)C ZINC000852484331 588684859 /nfs/dbraw/zinc/68/48/59/588684859.db2.gz ADMHFNWBVGZXKV-SNVBAGLBSA-N 1 2 248.342 1.208 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C=CCC1 ZINC000852505220 588686493 /nfs/dbraw/zinc/68/64/93/588686493.db2.gz SCZDMCBDHNGBIC-VIFPVBQESA-N 1 2 220.276 1.270 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C=CCC1 ZINC000852505220 588686494 /nfs/dbraw/zinc/68/64/94/588686494.db2.gz SCZDMCBDHNGBIC-VIFPVBQESA-N 1 2 220.276 1.270 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000852559874 588690441 /nfs/dbraw/zinc/69/04/41/588690441.db2.gz MHXIPDYOGHDUOS-RNFRBKRXSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000852559874 588690442 /nfs/dbraw/zinc/69/04/42/588690442.db2.gz MHXIPDYOGHDUOS-RNFRBKRXSA-N 1 2 229.217 1.732 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852580962 588691894 /nfs/dbraw/zinc/69/18/94/588691894.db2.gz GPCCYGMELCMQSV-QWRGUYRKSA-N 1 2 241.331 1.079 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852664453 588694491 /nfs/dbraw/zinc/69/44/91/588694491.db2.gz GXFQRJPVMIJNQP-DTWKUNHWSA-N 1 2 225.317 1.006 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852664453 588694492 /nfs/dbraw/zinc/69/44/92/588694492.db2.gz GXFQRJPVMIJNQP-DTWKUNHWSA-N 1 2 225.317 1.006 20 0 BDADLO CCO[C@@H](C(=O)OCc1c[nH+]cn1C)C(C)C ZINC000860576678 589107247 /nfs/dbraw/zinc/10/72/47/589107247.db2.gz ATCBXQMHWOBNLO-LLVKDONJSA-N 1 2 240.303 1.524 20 0 BDADLO CCO[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000861852848 589180448 /nfs/dbraw/zinc/18/04/48/589180448.db2.gz LHMSTYLPROMYAZ-WDEREUQCSA-N 1 2 249.314 1.259 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@]23CCOC3=O)o1 ZINC000862332153 589201146 /nfs/dbraw/zinc/20/11/46/589201146.db2.gz FTTVYCKIUGKAKG-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@]23CCOC3=O)o1 ZINC000862332153 589201147 /nfs/dbraw/zinc/20/11/47/589201147.db2.gz FTTVYCKIUGKAKG-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1c(C[N@@H+]2CCOCC23CC3)ccnc1F ZINC000862358047 589203167 /nfs/dbraw/zinc/20/31/67/589203167.db2.gz RMGLVENVMRMWPO-UHFFFAOYSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1c(C[N@H+]2CCOCC23CC3)ccnc1F ZINC000862358047 589203169 /nfs/dbraw/zinc/20/31/69/589203169.db2.gz RMGLVENVMRMWPO-UHFFFAOYSA-N 1 2 236.290 1.894 20 0 BDADLO COC1(C)C[NH+](Cc2ccnc(F)c2C)C1 ZINC000862368517 589205242 /nfs/dbraw/zinc/20/52/42/589205242.db2.gz IFJJOQJYRYFGBW-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000862382673 589206968 /nfs/dbraw/zinc/20/69/68/589206968.db2.gz WBBJVZBXIOLONA-NSHDSACASA-N 1 2 246.289 1.960 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862403705 589209852 /nfs/dbraw/zinc/20/98/52/589209852.db2.gz VGZDORPBQAVISY-ZETCQYMHSA-N 1 2 236.262 1.078 20 0 BDADLO FC(F)n1ccnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440225 589213021 /nfs/dbraw/zinc/21/30/21/589213021.db2.gz GTJOBYVPTHKDEJ-OCAPTIKFSA-N 1 2 213.231 1.730 20 0 BDADLO FC(F)n1ccnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440225 589213022 /nfs/dbraw/zinc/21/30/22/589213022.db2.gz GTJOBYVPTHKDEJ-OCAPTIKFSA-N 1 2 213.231 1.730 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1cncnc1)C2 ZINC000862529256 589217792 /nfs/dbraw/zinc/21/77/92/589217792.db2.gz JADQQUDNMHBGCL-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1cncnc1)C2 ZINC000862529256 589217793 /nfs/dbraw/zinc/21/77/93/589217793.db2.gz JADQQUDNMHBGCL-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CC(C)OCC(N)=[NH+]OCc1ccnc(F)c1 ZINC000863455281 589289039 /nfs/dbraw/zinc/28/90/39/589289039.db2.gz CJNOAVSWBJPJPK-UHFFFAOYSA-N 1 2 241.266 1.644 20 0 BDADLO CCO[C@H](CO[NH+]=C(N)[C@@H](C)OC)C1CC1 ZINC000863458640 589290043 /nfs/dbraw/zinc/29/00/43/589290043.db2.gz BWONYEMSBYKPKJ-PSASIEDQSA-N 1 2 230.308 1.335 20 0 BDADLO COCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478581 589292055 /nfs/dbraw/zinc/29/20/55/589292055.db2.gz RHPDBMWTJXISQK-UHFFFAOYSA-N 1 2 216.281 1.090 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)C1(OC)CCCC1 ZINC000863478269 589292118 /nfs/dbraw/zinc/29/21/18/589292118.db2.gz MOGCZTNPLGWXFJ-JTQLQIEISA-N 1 2 244.335 1.869 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC2(CC2)CC1 ZINC000863640386 589306427 /nfs/dbraw/zinc/30/64/27/589306427.db2.gz KWNKYNOEILTNHI-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO C[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC000863922596 589327104 /nfs/dbraw/zinc/32/71/04/589327104.db2.gz WVFWLCOXIIQXAV-ZCFIWIBFSA-N 1 2 242.216 1.145 20 0 BDADLO C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC000863922596 589327106 /nfs/dbraw/zinc/32/71/06/589327106.db2.gz WVFWLCOXIIQXAV-ZCFIWIBFSA-N 1 2 242.216 1.145 20 0 BDADLO COc1c(C)cnc(C[NH2+]C2(C)COC2)c1C ZINC000864049918 589335218 /nfs/dbraw/zinc/33/52/18/589335218.db2.gz OJDGPPZSWFMJHL-UHFFFAOYSA-N 1 2 236.315 1.586 20 0 BDADLO COc1c(C)c[nH+]c(CNC2(C)COC2)c1C ZINC000864049918 589335219 /nfs/dbraw/zinc/33/52/19/589335219.db2.gz OJDGPPZSWFMJHL-UHFFFAOYSA-N 1 2 236.315 1.586 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC(F)(F)C1 ZINC000864059610 589336684 /nfs/dbraw/zinc/33/66/84/589336684.db2.gz MSXALUDNDVOPFT-UHFFFAOYSA-N 1 2 229.230 1.210 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000864061895 589337079 /nfs/dbraw/zinc/33/70/79/589337079.db2.gz CCVKHIYHFAXBGO-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000864074136 589339381 /nfs/dbraw/zinc/33/93/81/589339381.db2.gz ZKUATLUOKZTSIT-LLVKDONJSA-N 1 2 207.277 1.257 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000864074136 589339382 /nfs/dbraw/zinc/33/93/82/589339382.db2.gz ZKUATLUOKZTSIT-LLVKDONJSA-N 1 2 207.277 1.257 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000864093524 589344177 /nfs/dbraw/zinc/34/41/77/589344177.db2.gz RXVRIBRUCUSSHO-UISBYWKRSA-N 1 2 222.288 1.724 20 0 BDADLO CC(C)Cc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000864233661 589348496 /nfs/dbraw/zinc/34/84/96/589348496.db2.gz KXLKFOUEFYHCEA-SECBINFHSA-N 1 2 209.293 1.468 20 0 BDADLO C[C@@H](c1ccco1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864810065 589395128 /nfs/dbraw/zinc/39/51/28/589395128.db2.gz ZMUSXMLQHDYHMW-GZMMTYOYSA-N 1 2 249.270 1.256 20 0 BDADLO CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000864899531 589400334 /nfs/dbraw/zinc/40/03/34/589400334.db2.gz VWZAYODPXLJTDE-NSHDSACASA-N 1 2 237.303 1.234 20 0 BDADLO CCN(Cc1ccoc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865111153 589409266 /nfs/dbraw/zinc/40/92/66/589409266.db2.gz KVKXMJWINMZVIT-NSHDSACASA-N 1 2 249.270 1.085 20 0 BDADLO O=C(NC1=[NH+]CCS1)C(C1CC1)C1CC1 ZINC000120400796 589411897 /nfs/dbraw/zinc/41/18/97/589411897.db2.gz QPOODXFKALTXHM-UHFFFAOYSA-N 1 2 224.329 1.642 20 0 BDADLO CC(C)(C)c1cn(CC[C@H]2CCNC2=O)c[nH+]1 ZINC000865376450 589428963 /nfs/dbraw/zinc/42/89/63/589428963.db2.gz NWGONGRGCSYXOU-SNVBAGLBSA-N 1 2 235.331 1.707 20 0 BDADLO Clc1cc2c(nc[nH+]c2NC2CC2)[nH]1 ZINC000865401417 589432899 /nfs/dbraw/zinc/43/28/99/589432899.db2.gz UDDKVCCBSXOJNL-UHFFFAOYSA-N 1 2 208.652 1.608 20 0 BDADLO COC(C)(C)c1nsc(-n2cc[nH+]c2)n1 ZINC000865413174 589434323 /nfs/dbraw/zinc/43/43/23/589434323.db2.gz YLKFFNLVFBMEKB-UHFFFAOYSA-N 1 2 224.289 1.605 20 0 BDADLO CCCNc1cc(NCc2cc[nH]n2)nc[nH+]1 ZINC000865441127 589435858 /nfs/dbraw/zinc/43/58/58/589435858.db2.gz PQLIETFVWGRRAA-UHFFFAOYSA-N 1 2 232.291 1.634 20 0 BDADLO CCCNc1cc(NCc2cc[nH]n2)[nH+]cn1 ZINC000865441127 589435859 /nfs/dbraw/zinc/43/58/59/589435859.db2.gz PQLIETFVWGRRAA-UHFFFAOYSA-N 1 2 232.291 1.634 20 0 BDADLO CN(CC1CC1)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865452382 589437199 /nfs/dbraw/zinc/43/71/99/589437199.db2.gz QCJXISXLWLFXOD-UHFFFAOYSA-N 1 2 247.346 1.958 20 0 BDADLO CN(CC1CC1)c1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865452382 589437201 /nfs/dbraw/zinc/43/72/01/589437201.db2.gz QCJXISXLWLFXOD-UHFFFAOYSA-N 1 2 247.346 1.958 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(F)n2)on1 ZINC000865509623 589442473 /nfs/dbraw/zinc/44/24/73/589442473.db2.gz SWGAYHMXJMNASS-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cn1nc2c(c1C[NH2+]C(CF)CF)CCCC2 ZINC000865583286 589447672 /nfs/dbraw/zinc/44/76/72/589447672.db2.gz QSGCLCOXLMHLMG-UHFFFAOYSA-N 1 2 243.301 1.696 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H]2C=C[C@H](CO)C2)[nH+]c1 ZINC000865581593 589448821 /nfs/dbraw/zinc/44/88/21/589448821.db2.gz WDVGTIHIRURZAE-JFGNBEQYSA-N 1 2 234.299 1.484 20 0 BDADLO CCn1ccc(CNCc2cn(C3CC3)c[nH+]2)n1 ZINC000865601779 589450418 /nfs/dbraw/zinc/45/04/18/589450418.db2.gz CRBKHOJZQDPIOU-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cn(C3CC3)cn2)n1 ZINC000865601779 589450420 /nfs/dbraw/zinc/45/04/20/589450420.db2.gz CRBKHOJZQDPIOU-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO CCc1csc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000865609296 589451085 /nfs/dbraw/zinc/45/10/85/589451085.db2.gz KRCJVZSDRQAUFD-UHFFFAOYSA-N 1 2 234.328 1.963 20 0 BDADLO CC1(O)CN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865628898 589452565 /nfs/dbraw/zinc/45/25/65/589452565.db2.gz WJZHTLAANOAHKD-UHFFFAOYSA-N 1 2 238.678 1.134 20 0 BDADLO C[C@H](CO)N(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865638166 589453631 /nfs/dbraw/zinc/45/36/31/589453631.db2.gz XKQNGOPMBXONPL-ZCFIWIBFSA-N 1 2 240.694 1.380 20 0 BDADLO CN(C)c1c[nH+]cc(NC[C@@H]2CCCOC2)c1 ZINC000865668350 589455464 /nfs/dbraw/zinc/45/54/64/589455464.db2.gz GQGGAUSVVNCWHK-NSHDSACASA-N 1 2 235.331 1.986 20 0 BDADLO CCn1ncc(C[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC000865697073 589456939 /nfs/dbraw/zinc/45/69/39/589456939.db2.gz RKGODYQVCSZALO-WDEREUQCSA-N 1 2 226.299 1.668 20 0 BDADLO Cc1cccc(CCNc2ccc(F)nn2)[nH+]1 ZINC000865741055 589459990 /nfs/dbraw/zinc/45/99/90/589459990.db2.gz MJBMOLNKLLANBI-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@](F)(CO)C2)[nH+]c1 ZINC000865766429 589461569 /nfs/dbraw/zinc/46/15/69/589461569.db2.gz BXQOSICYWPDWMM-JOYOIKCWSA-N 1 2 240.278 1.046 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2ccnn2C)[nH]c1C ZINC000865837531 589464153 /nfs/dbraw/zinc/46/41/53/589464153.db2.gz HOMPZTOOERBNFW-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2ccnn2C)[nH+]c1C ZINC000865837531 589464154 /nfs/dbraw/zinc/46/41/54/589464154.db2.gz HOMPZTOOERBNFW-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccnn1C ZINC000865838447 589464278 /nfs/dbraw/zinc/46/42/78/589464278.db2.gz WOMRHCQZAGHCEY-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO C[C@H](O)c1ccc(NC[C@@H]2CCCNC2=O)[nH+]c1 ZINC000865872201 589466367 /nfs/dbraw/zinc/46/63/67/589466367.db2.gz SYPZDOXHFABPIM-ONGXEEELSA-N 1 2 249.314 1.073 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878659 589466953 /nfs/dbraw/zinc/46/69/53/589466953.db2.gz VSPHESHSZXLCLT-IXOXFDKPSA-N 1 2 245.326 1.559 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H](CO)CCF)[nH+]c1 ZINC000865910607 589468095 /nfs/dbraw/zinc/46/80/95/589468095.db2.gz FRLATPCLBPCUOM-WCBMZHEXSA-N 1 2 228.267 1.267 20 0 BDADLO C[C@@H](O)c1ccc(N(C)[C@@H](C)CCO)[nH+]c1 ZINC000865912885 589468185 /nfs/dbraw/zinc/46/81/85/589468185.db2.gz XCAISMLXIVXFRK-VHSXEESVSA-N 1 2 224.304 1.342 20 0 BDADLO CC[C@@H](O)CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865941955 589469547 /nfs/dbraw/zinc/46/95/47/589469547.db2.gz LPRXUELZAYQYQJ-ZCFIWIBFSA-N 1 2 240.694 1.794 20 0 BDADLO CO[C@@H]1CC[C@@H](C)N(c2cc[nH+]c(C)n2)C1 ZINC000866070682 589474862 /nfs/dbraw/zinc/47/48/62/589474862.db2.gz KNISPXSLHZSVIJ-MWLCHTKSSA-N 1 2 221.304 1.789 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000866097415 589475954 /nfs/dbraw/zinc/47/59/54/589475954.db2.gz JVIMJOIUCTXNQN-MVWJERBFSA-N 1 2 249.314 1.234 20 0 BDADLO O[C@@H]1CCN(c2[nH+]ccc3ccccc32)C[C@@H]1O ZINC000866224151 589481387 /nfs/dbraw/zinc/48/13/87/589481387.db2.gz WTMLVGDOLPWDCE-OLZOCXBDSA-N 1 2 244.294 1.167 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccn(C)n1 ZINC000866613639 589504770 /nfs/dbraw/zinc/50/47/70/589504770.db2.gz ISSIXEUEOSOINQ-NXEZZACHSA-N 1 2 233.319 1.565 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)OCC1CC1 ZINC000867710643 589531560 /nfs/dbraw/zinc/53/15/60/589531560.db2.gz GYJYWPXQPMJEJH-LLVKDONJSA-N 1 2 244.310 1.557 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)OCC1CC1 ZINC000867710643 589531561 /nfs/dbraw/zinc/53/15/61/589531561.db2.gz GYJYWPXQPMJEJH-LLVKDONJSA-N 1 2 244.310 1.557 20 0 BDADLO COCC[NH+](CCOC)C/C(Cl)=C/Cl ZINC000121778633 589532215 /nfs/dbraw/zinc/53/22/15/589532215.db2.gz SPIIOWNOYUMNMT-CLFYSBASSA-N 1 2 242.146 1.900 20 0 BDADLO CC(C)CN(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000867756982 589533466 /nfs/dbraw/zinc/53/34/66/589533466.db2.gz SVONNOMKJFTFRR-UHFFFAOYSA-N 1 2 224.308 1.549 20 0 BDADLO C[C@H]1CC2(CCC2)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867818522 589535267 /nfs/dbraw/zinc/53/52/67/589535267.db2.gz MERYWSLLHWMRKJ-GXSJLCMTSA-N 1 2 249.314 1.234 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H](C2CC2)C1 ZINC000868394242 589556832 /nfs/dbraw/zinc/55/68/32/589556832.db2.gz XJZQLCMVDZORHY-PWSUYJOCSA-N 1 2 249.314 1.092 20 0 BDADLO CC/C=C(\F)C(=O)N1CCn2c[nH+]cc2C1 ZINC000868444739 589558508 /nfs/dbraw/zinc/55/85/08/589558508.db2.gz FBAMFFSVPVHDPP-KMKOMSMNSA-N 1 2 223.251 1.489 20 0 BDADLO Cc1ccoc1CN(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868530378 589562704 /nfs/dbraw/zinc/56/27/04/589562704.db2.gz IJJZSPCHIZEVMI-LLVKDONJSA-N 1 2 249.270 1.003 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCC1(C)C ZINC000868611566 589567822 /nfs/dbraw/zinc/56/78/22/589567822.db2.gz ZDRKECCQRNTNOE-VIFPVBQESA-N 1 2 236.319 1.740 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620962 589568480 /nfs/dbraw/zinc/56/84/80/589568480.db2.gz MYTRNANNDUNWNY-QZGLAHODSA-N 1 2 223.251 1.708 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000868698074 589573909 /nfs/dbraw/zinc/57/39/09/589573909.db2.gz DXWFELRPNGFRQI-QVWLAYSOSA-N 1 2 245.326 1.216 20 0 BDADLO CCC(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122281853 589576645 /nfs/dbraw/zinc/57/66/45/589576645.db2.gz RGIWKMDUNRTRIA-UHFFFAOYSA-N 1 2 209.245 1.852 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCC(=O)O2)c[nH+]1 ZINC000868791679 589577340 /nfs/dbraw/zinc/57/73/40/589577340.db2.gz RWXGRKILNZAUMT-LLVKDONJSA-N 1 2 248.282 1.020 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869297740 589597032 /nfs/dbraw/zinc/59/70/32/589597032.db2.gz AVBCQPWLAXFVSC-KMIYQGBJSA-N 1 2 249.314 1.233 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@H]1CCSC1 ZINC000869595714 589615283 /nfs/dbraw/zinc/61/52/83/589615283.db2.gz HONNWGIMYVSNML-JTQLQIEISA-N 1 2 239.344 1.143 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(CCF)CC1 ZINC000870280247 589655265 /nfs/dbraw/zinc/65/52/65/589655265.db2.gz VGZBTIJKYIJIHD-UHFFFAOYSA-N 1 2 239.294 1.550 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@@H]1F ZINC000870489350 589668724 /nfs/dbraw/zinc/66/87/24/589668724.db2.gz IYWCEVAFYHNYHD-VHSXEESVSA-N 1 2 239.294 1.658 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000871094907 589724744 /nfs/dbraw/zinc/72/47/44/589724744.db2.gz AIUSFDQSDVDSRK-MGCOHNPYSA-N 1 2 239.344 1.353 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000871094907 589724745 /nfs/dbraw/zinc/72/47/45/589724745.db2.gz AIUSFDQSDVDSRK-MGCOHNPYSA-N 1 2 239.344 1.353 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000871601846 589773297 /nfs/dbraw/zinc/77/32/97/589773297.db2.gz ODQVFIPAOKJBPW-MFKMUULPSA-N 1 2 224.348 1.981 20 0 BDADLO CC[N@H+]1CC(=O)N[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000871601846 589773300 /nfs/dbraw/zinc/77/33/00/589773300.db2.gz ODQVFIPAOKJBPW-MFKMUULPSA-N 1 2 224.348 1.981 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC12CCC2 ZINC000871630046 589779375 /nfs/dbraw/zinc/77/93/75/589779375.db2.gz XPBDVOCNTQYGGB-WDEREUQCSA-N 1 2 248.330 1.513 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC12CCC2 ZINC000871630045 589779381 /nfs/dbraw/zinc/77/93/81/589779381.db2.gz XPBDVOCNTQYGGB-QWRGUYRKSA-N 1 2 248.330 1.513 20 0 BDADLO C[C@H](O)CSCc1[nH+]ccn1CC(F)F ZINC000871675628 589788375 /nfs/dbraw/zinc/78/83/75/589788375.db2.gz ISGQLFFBBPSDBK-ZETCQYMHSA-N 1 2 236.287 1.762 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1nocc1C ZINC000871734431 589801037 /nfs/dbraw/zinc/80/10/37/589801037.db2.gz FVVWTDPKNYDHNQ-ZETCQYMHSA-N 1 2 213.237 1.016 20 0 BDADLO CC1(C)CC(O[NH+]=C(N)[C@H]2CCCO2)C1 ZINC000871749553 589805269 /nfs/dbraw/zinc/80/52/69/589805269.db2.gz YVRPPJHLGRRKPB-SECBINFHSA-N 1 2 212.293 1.852 20 0 BDADLO NC(COC1CCC1)=[NH+]OC[C@@H]1CCOC1 ZINC000871775560 589813586 /nfs/dbraw/zinc/81/35/86/589813586.db2.gz MLADEEIZDTZAKG-SECBINFHSA-N 1 2 228.292 1.090 20 0 BDADLO CO[C@H](CO[NH+]=C(N)COC1CCC1)C1CC1 ZINC000871778286 589814070 /nfs/dbraw/zinc/81/40/70/589814070.db2.gz AXRQDUWZSVPGBO-LLVKDONJSA-N 1 2 242.319 1.479 20 0 BDADLO NC(COC1CCC1)=[NH+]OCC[C@H]1CCCO1 ZINC000871778715 589814648 /nfs/dbraw/zinc/81/46/48/589814648.db2.gz TWAPTGIKIKQGJZ-LLVKDONJSA-N 1 2 242.319 1.623 20 0 BDADLO C[C@H]1C[C@@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778667 589814858 /nfs/dbraw/zinc/81/48/58/589814858.db2.gz RVPUDCSTHWWKEU-DTWKUNHWSA-N 1 2 212.293 1.710 20 0 BDADLO Cc1ncccc1CO[NH+]=C(N)COC1CCC1 ZINC000871778684 589815009 /nfs/dbraw/zinc/81/50/09/589815009.db2.gz SHCNAQFRNUGVBV-UHFFFAOYSA-N 1 2 249.314 1.958 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)n1 ZINC000871925879 589833390 /nfs/dbraw/zinc/83/33/90/589833390.db2.gz FOLQOUVJNHSWQO-RKDXNWHRSA-N 1 2 249.318 1.777 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nonc2C)n(C)n1 ZINC000872134975 589878271 /nfs/dbraw/zinc/87/82/71/589878271.db2.gz AYBLHVKMRRMRHU-VIFPVBQESA-N 1 2 235.291 1.271 20 0 BDADLO CCc1cc(C(=O)Nc2c[nH+]ccc2OC)no1 ZINC000888597547 589897935 /nfs/dbraw/zinc/89/79/35/589897935.db2.gz ODVFUXOGRCHWCK-UHFFFAOYSA-N 1 2 247.254 1.893 20 0 BDADLO CN1CC[N@H+](Cc2ccno2)Cc2cccnc21 ZINC000872317212 589910890 /nfs/dbraw/zinc/91/08/90/589910890.db2.gz KPTBRNFVKSVZLJ-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO CN1CC[N@@H+](Cc2ccno2)Cc2cccnc21 ZINC000872317212 589910892 /nfs/dbraw/zinc/91/08/92/589910892.db2.gz KPTBRNFVKSVZLJ-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO Cc1c(F)ncnc1N(C)Cc1[nH]cc[nH+]1 ZINC000872456040 589941158 /nfs/dbraw/zinc/94/11/58/589941158.db2.gz AQYWTQOHUJWYBS-UHFFFAOYSA-N 1 2 221.239 1.284 20 0 BDADLO C[C@H](C(=O)OC[C@H]1C[C@H]1C)[NH+]1CCSCC1 ZINC000124166400 589957535 /nfs/dbraw/zinc/95/75/35/589957535.db2.gz KXCCPUPYUWNCSQ-GMTAPVOTSA-N 1 2 243.372 1.623 20 0 BDADLO Cc1nc(N2CC[C@H](C(C)(C)O)C2)c(C)c(C)[nH+]1 ZINC000872782995 589970187 /nfs/dbraw/zinc/97/01/87/589970187.db2.gz GYUTULVATUNZGW-LBPRGKRZSA-N 1 2 249.358 1.999 20 0 BDADLO C[C@@H](C[N@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000872818052 589972380 /nfs/dbraw/zinc/97/23/80/589972380.db2.gz FZKDGZBBEKBLIB-JTQLQIEISA-N 1 2 240.351 1.153 20 0 BDADLO C[C@@H](C[N@@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000872818052 589972381 /nfs/dbraw/zinc/97/23/81/589972381.db2.gz FZKDGZBBEKBLIB-JTQLQIEISA-N 1 2 240.351 1.153 20 0 BDADLO CC(C)OC1(C[NH2+]Cc2ccn[nH]2)CCC1 ZINC000873166445 589989253 /nfs/dbraw/zinc/98/92/53/589989253.db2.gz BSJXFFIVKODLQM-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccncc1F ZINC000873195813 589991332 /nfs/dbraw/zinc/99/13/32/589991332.db2.gz DGLQRGTXYGKEEX-UHFFFAOYSA-N 1 2 222.223 1.202 20 0 BDADLO C[C@H](O)c1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000124896931 590098152 /nfs/dbraw/zinc/09/81/52/590098152.db2.gz HSMKLMDEUKLNDJ-UWVGGRQHSA-N 1 2 222.288 1.360 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C)CC1 ZINC000874704448 590124492 /nfs/dbraw/zinc/12/44/92/590124492.db2.gz KEJWETXQSVGWHP-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C)CC1 ZINC000874704448 590124493 /nfs/dbraw/zinc/12/44/93/590124493.db2.gz KEJWETXQSVGWHP-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000874776425 590129049 /nfs/dbraw/zinc/12/90/49/590129049.db2.gz CBUPDWJKRXAWDL-QWRGUYRKSA-N 1 2 245.326 1.504 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CCC2 ZINC000874778899 590130461 /nfs/dbraw/zinc/13/04/61/590130461.db2.gz YSFDTOQDSXFFOY-FOGDFJRCSA-N 1 2 245.326 1.582 20 0 BDADLO CC[C@@H](NC(=O)c1cnsn1)c1[nH]cc[nH+]1 ZINC000125338549 590162226 /nfs/dbraw/zinc/16/22/26/590162226.db2.gz YFIIFZMCHNVTFD-ZCFIWIBFSA-N 1 2 237.288 1.142 20 0 BDADLO CCCNc1cc(N(C)[C@@H](C)CO)nc[nH+]1 ZINC000125605891 590173518 /nfs/dbraw/zinc/17/35/18/590173518.db2.gz XZHJPZPSEBIJCV-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CCCNc1cc(N(C)[C@@H](C)CO)[nH+]cn1 ZINC000125605891 590173519 /nfs/dbraw/zinc/17/35/19/590173519.db2.gz XZHJPZPSEBIJCV-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H]1C1CC1 ZINC000876305549 590194409 /nfs/dbraw/zinc/19/44/09/590194409.db2.gz MPYCYUMZLHJHCT-NSHDSACASA-N 1 2 234.303 1.114 20 0 BDADLO C[N@H+](CCO)Cc1nc(Cl)cs1 ZINC000876525601 590208639 /nfs/dbraw/zinc/20/86/39/590208639.db2.gz LHFKLFXKVKDPEA-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO C[N@@H+](CCO)Cc1nc(Cl)cs1 ZINC000876525601 590208641 /nfs/dbraw/zinc/20/86/41/590208641.db2.gz LHFKLFXKVKDPEA-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO CCCn1cc(C[N@@H+]2CCC[C@H](OC)C2)nn1 ZINC000876609193 590222143 /nfs/dbraw/zinc/22/21/43/590222143.db2.gz ITNXAYSIGMCPLQ-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCC[C@H](OC)C2)nn1 ZINC000876609193 590222145 /nfs/dbraw/zinc/22/21/45/590222145.db2.gz ITNXAYSIGMCPLQ-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO C[N@H+](Cc1ccns1)[C@H]1CCCCNC1=O ZINC000876653209 590226410 /nfs/dbraw/zinc/22/64/10/590226410.db2.gz LCPUQCVZHYLBKW-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO C[N@@H+](Cc1ccns1)[C@H]1CCCCNC1=O ZINC000876653209 590226411 /nfs/dbraw/zinc/22/64/11/590226411.db2.gz LCPUQCVZHYLBKW-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO COc1cnc(F)c(C[NH2+]Cc2ccno2)c1 ZINC000877321920 590316561 /nfs/dbraw/zinc/31/65/61/590316561.db2.gz STWVZJLSLVKJNI-UHFFFAOYSA-N 1 2 237.234 1.507 20 0 BDADLO COc1cnc(F)c(C[N@H+](C)C2CC(O)C2)c1 ZINC000877344366 590318948 /nfs/dbraw/zinc/31/89/48/590318948.db2.gz HHSSANZGEWVMOD-UHFFFAOYSA-N 1 2 240.278 1.184 20 0 BDADLO COc1cnc(F)c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000877344366 590318951 /nfs/dbraw/zinc/31/89/51/590318951.db2.gz HHSSANZGEWVMOD-UHFFFAOYSA-N 1 2 240.278 1.184 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@H](C)C(=O)OCC(C)C)OC ZINC000877469510 590334782 /nfs/dbraw/zinc/33/47/82/590334782.db2.gz OYSNVHQLGHYNDN-AAEUAGOBSA-N 1 2 245.363 1.979 20 0 BDADLO CCOC(=O)c1cc(C[NH+]2CC3(CC3)C2)on1 ZINC000877556813 590357189 /nfs/dbraw/zinc/35/71/89/590357189.db2.gz KNCOKTFUTYAVJS-UHFFFAOYSA-N 1 2 236.271 1.447 20 0 BDADLO COC1C[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000877579120 590364660 /nfs/dbraw/zinc/36/46/60/590364660.db2.gz UZFABGSECBAEQJ-LURJTMIESA-N 1 2 210.104 1.511 20 0 BDADLO COC1C[NH+](Cc2cc(F)ccc2N(C)C)C1 ZINC000877580630 590365623 /nfs/dbraw/zinc/36/56/23/590365623.db2.gz VPDJDVJWKUZCEQ-UHFFFAOYSA-N 1 2 238.306 1.722 20 0 BDADLO CN(C)C1(C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877593907 590370349 /nfs/dbraw/zinc/37/03/49/590370349.db2.gz JDWNHQRLSOULKN-UHFFFAOYSA-N 1 2 245.779 1.980 20 0 BDADLO COc1c(C)c[nH+]c(CNCc2cn[nH]n2)c1C ZINC000877649466 590384367 /nfs/dbraw/zinc/38/43/67/590384367.db2.gz XUNDXQUQRIXHQK-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO CC1([NH2+]Cc2occc2Br)COC1 ZINC000877691172 590393349 /nfs/dbraw/zinc/39/33/49/590393349.db2.gz KBVDHVTZVOCGMS-UHFFFAOYSA-N 1 2 246.104 1.921 20 0 BDADLO CC1(C)C[C@H](O)C[N@H+](Cc2csnn2)C1 ZINC000877751450 590415456 /nfs/dbraw/zinc/41/54/56/590415456.db2.gz GGDGEQNJOWHAFL-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[C@H](O)C[N@@H+](Cc2csnn2)C1 ZINC000877751450 590415459 /nfs/dbraw/zinc/41/54/59/590415459.db2.gz GGDGEQNJOWHAFL-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCCSC(C)(C)C ZINC000878040763 590478327 /nfs/dbraw/zinc/47/83/27/590478327.db2.gz NQUNRJZBJHGGSB-JTQLQIEISA-N 1 2 244.404 1.729 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCCSC(C)(C)C ZINC000878040763 590478331 /nfs/dbraw/zinc/47/83/31/590478331.db2.gz NQUNRJZBJHGGSB-JTQLQIEISA-N 1 2 244.404 1.729 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000878045077 590480402 /nfs/dbraw/zinc/48/04/02/590480402.db2.gz VAHQZPCODNIHQL-SNVBAGLBSA-N 1 2 243.347 1.875 20 0 BDADLO C[N@H+](Cc1nc2c(o1)CCCC2)[C@H]1CCOC1 ZINC000878083658 590488536 /nfs/dbraw/zinc/48/85/36/590488536.db2.gz CIVGDFRPVSLUGC-JTQLQIEISA-N 1 2 236.315 1.774 20 0 BDADLO C[N@@H+](Cc1nc2c(o1)CCCC2)[C@H]1CCOC1 ZINC000878083658 590488538 /nfs/dbraw/zinc/48/85/38/590488538.db2.gz CIVGDFRPVSLUGC-JTQLQIEISA-N 1 2 236.315 1.774 20 0 BDADLO CCC(F)(F)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000878155154 590508834 /nfs/dbraw/zinc/50/88/34/590508834.db2.gz LTFMHBVABRXTNF-UHFFFAOYSA-N 1 2 246.301 1.634 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000878166446 590512203 /nfs/dbraw/zinc/51/22/03/590512203.db2.gz UXFVOLCNOKPCJR-NSHDSACASA-N 1 2 245.273 1.105 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000878166446 590512206 /nfs/dbraw/zinc/51/22/06/590512206.db2.gz UXFVOLCNOKPCJR-NSHDSACASA-N 1 2 245.273 1.105 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000878166445 590513006 /nfs/dbraw/zinc/51/30/06/590513006.db2.gz UXFVOLCNOKPCJR-LLVKDONJSA-N 1 2 245.273 1.105 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000878166445 590513007 /nfs/dbraw/zinc/51/30/07/590513007.db2.gz UXFVOLCNOKPCJR-LLVKDONJSA-N 1 2 245.273 1.105 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)CC1(O)CCCCC1 ZINC000878208465 590524311 /nfs/dbraw/zinc/52/43/11/590524311.db2.gz VJTWXWNUJFUZNG-LLVKDONJSA-N 1 2 224.304 1.329 20 0 BDADLO Cc1coc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000878216381 590524695 /nfs/dbraw/zinc/52/46/95/590524695.db2.gz IBQGOGZDPUTIQP-JTQLQIEISA-N 1 2 233.271 1.603 20 0 BDADLO C[C@H]1C[NH+](Cc2cncnc2)C[C@H](C)O1 ZINC000127007601 590533430 /nfs/dbraw/zinc/53/34/30/590533430.db2.gz VUESGDKSMGAYDI-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878290512 590535368 /nfs/dbraw/zinc/53/53/68/590535368.db2.gz AEBNNRAZHWVOQR-LBPRGKRZSA-N 1 2 247.342 1.870 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878290512 590535369 /nfs/dbraw/zinc/53/53/69/590535369.db2.gz AEBNNRAZHWVOQR-LBPRGKRZSA-N 1 2 247.342 1.870 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878290512 590535370 /nfs/dbraw/zinc/53/53/70/590535370.db2.gz AEBNNRAZHWVOQR-LBPRGKRZSA-N 1 2 247.342 1.870 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878290512 590535371 /nfs/dbraw/zinc/53/53/71/590535371.db2.gz AEBNNRAZHWVOQR-LBPRGKRZSA-N 1 2 247.342 1.870 20 0 BDADLO COC(=O)C1([NH2+]CC[C@H](O)C(C)C)CCCC1 ZINC000878305099 590538868 /nfs/dbraw/zinc/53/88/68/590538868.db2.gz TZSGBJPYMHSWJN-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO Cc1conc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000878323047 590546006 /nfs/dbraw/zinc/54/60/06/590546006.db2.gz SATOTISBIPGZKK-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1conc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000878323047 590546008 /nfs/dbraw/zinc/54/60/08/590546008.db2.gz SATOTISBIPGZKK-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO CC[C@](C)([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878332364 590548612 /nfs/dbraw/zinc/54/86/12/590548612.db2.gz CYGZXEPXXRZDQH-PWSUYJOCSA-N 1 2 231.336 1.325 20 0 BDADLO CCCNc1cc(NC[C@@H](O)C(C)C)nc[nH+]1 ZINC000127052488 590552835 /nfs/dbraw/zinc/55/28/35/590552835.db2.gz KEIFVAMKNIQMOH-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CCCNc1cc(NC[C@@H](O)C(C)C)[nH+]cn1 ZINC000127052488 590552836 /nfs/dbraw/zinc/55/28/36/590552836.db2.gz KEIFVAMKNIQMOH-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878417596 590563551 /nfs/dbraw/zinc/56/35/51/590563551.db2.gz OOLXIXCRXQRBMA-SRVKXCTJSA-N 1 2 245.363 1.571 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1scnc1Cl)C2 ZINC000878481178 590575930 /nfs/dbraw/zinc/57/59/30/590575930.db2.gz ARTNKKSSOJLOAA-OIBJUYFYSA-N 1 2 244.747 1.611 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1scnc1Cl)C2 ZINC000878481178 590575932 /nfs/dbraw/zinc/57/59/32/590575932.db2.gz ARTNKKSSOJLOAA-OIBJUYFYSA-N 1 2 244.747 1.611 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000878481682 590575945 /nfs/dbraw/zinc/57/59/45/590575945.db2.gz FUMANYPGSMZHKR-BDAKNGLRSA-N 1 2 205.248 1.346 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000878481682 590575948 /nfs/dbraw/zinc/57/59/48/590575948.db2.gz FUMANYPGSMZHKR-BDAKNGLRSA-N 1 2 205.248 1.346 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000878492845 590579592 /nfs/dbraw/zinc/57/95/92/590579592.db2.gz SVCMVPVAHSDWPE-NHCYSSNCSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000878492845 590579593 /nfs/dbraw/zinc/57/95/93/590579593.db2.gz SVCMVPVAHSDWPE-NHCYSSNCSA-N 1 2 249.314 1.069 20 0 BDADLO C[C@@](CO)([NH2+]Cc1cnc[nH]1)c1cccc(O)c1 ZINC000878622577 590597004 /nfs/dbraw/zinc/59/70/04/590597004.db2.gz QFAZMMZAGBBLEU-ZDUSSCGKSA-N 1 2 247.298 1.113 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCOC1=O ZINC000878631358 590597748 /nfs/dbraw/zinc/59/77/48/590597748.db2.gz FDEJOKDVGUULHJ-BLFANLJRSA-N 1 2 239.315 1.239 20 0 BDADLO Cc1conc1CN1CCc2[nH+]c[nH]c2C1 ZINC000878628864 590597963 /nfs/dbraw/zinc/59/79/63/590597963.db2.gz PTLHXAXLFZFHFG-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO C[C@@]1([NH2+]C[C@@H]2CCCC(C)(C)O2)CCOC1=O ZINC000878632313 590598148 /nfs/dbraw/zinc/59/81/48/590598148.db2.gz OXUVIAJIJXSTNJ-GXFFZTMASA-N 1 2 241.331 1.629 20 0 BDADLO CC[N@H+](Cc1scnc1Cl)[C@@H](C)CO ZINC000878654549 590603282 /nfs/dbraw/zinc/60/32/82/590603282.db2.gz UWSFKCPOTWTQCC-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@@H+](Cc1scnc1Cl)[C@@H](C)CO ZINC000878654549 590603284 /nfs/dbraw/zinc/60/32/84/590603284.db2.gz UWSFKCPOTWTQCC-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC1(C)CC[C@H]1[NH2+]CC(=O)N=S(C)(C)=O ZINC000878673776 590607174 /nfs/dbraw/zinc/60/71/74/590607174.db2.gz TWUCDUYDTACRAT-MRVPVSSYSA-N 1 2 232.349 1.019 20 0 BDADLO CON1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878686209 590610072 /nfs/dbraw/zinc/61/00/72/590610072.db2.gz CTNDUJZLQDQCDO-UHFFFAOYSA-N 1 2 242.241 1.092 20 0 BDADLO O=C(COC1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878687089 590610087 /nfs/dbraw/zinc/61/00/87/590610087.db2.gz MAGGBCLUVCXYTK-JTQLQIEISA-N 1 2 249.314 1.295 20 0 BDADLO Cn1cc[nH+]c1CN1CCC=C(Cl)C1 ZINC000878790417 590622703 /nfs/dbraw/zinc/62/27/03/590622703.db2.gz LCPITCDQQHKFEV-UHFFFAOYSA-N 1 2 211.696 1.749 20 0 BDADLO O[C@H](C[N@@H+]1CCC=C(Cl)C1)c1ccccn1 ZINC000878790956 590623195 /nfs/dbraw/zinc/62/31/95/590623195.db2.gz ZCWFUXFHDXWUBO-GFCCVEGCSA-N 1 2 238.718 1.943 20 0 BDADLO O[C@H](C[N@H+]1CCC=C(Cl)C1)c1ccccn1 ZINC000878790956 590623196 /nfs/dbraw/zinc/62/31/96/590623196.db2.gz ZCWFUXFHDXWUBO-GFCCVEGCSA-N 1 2 238.718 1.943 20 0 BDADLO O=C(C[N@H+]1CCC=C(Cl)C1)N1CCCC1 ZINC000878791394 590623759 /nfs/dbraw/zinc/62/37/59/590623759.db2.gz DOXPICVASRBBKK-UHFFFAOYSA-N 1 2 228.723 1.437 20 0 BDADLO O=C(C[N@@H+]1CCC=C(Cl)C1)N1CCCC1 ZINC000878791394 590623760 /nfs/dbraw/zinc/62/37/60/590623760.db2.gz DOXPICVASRBBKK-UHFFFAOYSA-N 1 2 228.723 1.437 20 0 BDADLO Cc1conc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000878884705 590640480 /nfs/dbraw/zinc/64/04/80/590640480.db2.gz JJJWPFLEONIKHY-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO Cc1conc1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000878884705 590640482 /nfs/dbraw/zinc/64/04/82/590640482.db2.gz JJJWPFLEONIKHY-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO CCOC(C[N@H+](CC(=O)OC)C(C)C)OCC ZINC000127542164 590703576 /nfs/dbraw/zinc/70/35/76/590703576.db2.gz YJUSZAWNHKYHAX-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(C[N@@H+](CC(=O)OC)C(C)C)OCC ZINC000127542164 590703577 /nfs/dbraw/zinc/70/35/77/590703577.db2.gz YJUSZAWNHKYHAX-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO COC[C@](C)(CO)[NH2+]Cc1ncc(C(C)C)o1 ZINC000879163776 590705973 /nfs/dbraw/zinc/70/59/73/590705973.db2.gz MKJKEKVTOPAUQD-LBPRGKRZSA-N 1 2 242.319 1.285 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(F)n1 ZINC000879189062 590709849 /nfs/dbraw/zinc/70/98/49/590709849.db2.gz YGXZGNDKJZUDLS-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cccc(F)n1 ZINC000879189062 590709854 /nfs/dbraw/zinc/70/98/54/590709854.db2.gz YGXZGNDKJZUDLS-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000879189098 590711881 /nfs/dbraw/zinc/71/18/81/590711881.db2.gz ZKKZHYKDWSHWEJ-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(F)cn1 ZINC000879189098 590711885 /nfs/dbraw/zinc/71/18/85/590711885.db2.gz ZKKZHYKDWSHWEJ-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)[nH]1 ZINC000879324129 590744444 /nfs/dbraw/zinc/74/44/44/590744444.db2.gz DAELLCVQXXHAIZ-UWVGGRQHSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)[nH]1 ZINC000879324129 590744447 /nfs/dbraw/zinc/74/44/47/590744447.db2.gz DAELLCVQXXHAIZ-UWVGGRQHSA-N 1 2 238.335 1.366 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)n1 ZINC000879325425 590745547 /nfs/dbraw/zinc/74/55/47/590745547.db2.gz NHEJUKFRWQAQLC-CMPLNLGQSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)n1 ZINC000879325425 590745548 /nfs/dbraw/zinc/74/55/48/590745548.db2.gz NHEJUKFRWQAQLC-CMPLNLGQSA-N 1 2 238.335 1.297 20 0 BDADLO Cc1nc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)no1 ZINC000879410647 590762958 /nfs/dbraw/zinc/76/29/58/590762958.db2.gz YPZCHLCPIOORJV-JTQLQIEISA-N 1 2 239.319 1.815 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)n[nH]1 ZINC000879565146 590804774 /nfs/dbraw/zinc/80/47/74/590804774.db2.gz LEWYFWBPYPNCQB-UWVGGRQHSA-N 1 2 238.360 1.298 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)n[nH]1 ZINC000879565146 590804776 /nfs/dbraw/zinc/80/47/76/590804776.db2.gz LEWYFWBPYPNCQB-UWVGGRQHSA-N 1 2 238.360 1.298 20 0 BDADLO FCC[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000879586305 590824305 /nfs/dbraw/zinc/82/43/05/590824305.db2.gz BVYDKCDEQBOJRQ-UHFFFAOYSA-N 1 2 226.270 1.917 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879618186 590832925 /nfs/dbraw/zinc/83/29/25/590832925.db2.gz SOJHQRBYGHGCDT-NSHDSACASA-N 1 2 243.347 1.423 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879618186 590832928 /nfs/dbraw/zinc/83/29/28/590832928.db2.gz SOJHQRBYGHGCDT-NSHDSACASA-N 1 2 243.347 1.423 20 0 BDADLO CCCc1noc(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC000879684024 590847632 /nfs/dbraw/zinc/84/76/32/590847632.db2.gz RVRXWCUORCTJHO-SECBINFHSA-N 1 2 249.318 1.606 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccnn2C)[nH]1 ZINC000879686744 590848492 /nfs/dbraw/zinc/84/84/92/590848492.db2.gz IABGWBVBYAJQKU-VIFPVBQESA-N 1 2 248.334 1.512 20 0 BDADLO C[S@@](=N)(=O)N1CC[NH+](CC2=CCCC2)CC1 ZINC000879945752 590893927 /nfs/dbraw/zinc/89/39/27/590893927.db2.gz AUNBINTUDAXHNK-INIZCTEOSA-N 1 2 243.376 1.306 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@H](C)C1 ZINC000128147736 590911998 /nfs/dbraw/zinc/91/19/98/590911998.db2.gz JXTWKIBSSXBZEO-YUMQZZPRSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@H](C)C1 ZINC000128147736 590912002 /nfs/dbraw/zinc/91/20/02/590912002.db2.gz JXTWKIBSSXBZEO-YUMQZZPRSA-N 1 2 222.292 1.668 20 0 BDADLO FC[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000880237985 590969287 /nfs/dbraw/zinc/96/92/87/590969287.db2.gz MABOUTPHXCPVBD-MRVPVSSYSA-N 1 2 215.297 1.720 20 0 BDADLO FC[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000880237985 590969289 /nfs/dbraw/zinc/96/92/89/590969289.db2.gz MABOUTPHXCPVBD-MRVPVSSYSA-N 1 2 215.297 1.720 20 0 BDADLO COCC1([N@H+](C)Cc2cnns2)CCC1 ZINC000880185364 590952173 /nfs/dbraw/zinc/95/21/73/590952173.db2.gz NTAUWYFZHKHZGB-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO COCC1([N@@H+](C)Cc2cnns2)CCC1 ZINC000880185364 590952174 /nfs/dbraw/zinc/95/21/74/590952174.db2.gz NTAUWYFZHKHZGB-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](CF)C1)Nc1ccon1 ZINC000880234963 590966177 /nfs/dbraw/zinc/96/61/77/590966177.db2.gz MFDZZWFNHSWKHZ-SECBINFHSA-N 1 2 241.266 1.295 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](CF)C1)Nc1ccon1 ZINC000880234963 590966180 /nfs/dbraw/zinc/96/61/80/590966180.db2.gz MFDZZWFNHSWKHZ-SECBINFHSA-N 1 2 241.266 1.295 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](CF)C2)[nH]1 ZINC000880236679 590966287 /nfs/dbraw/zinc/96/62/87/590966287.db2.gz FJBIWKYRQHWLJJ-SECBINFHSA-N 1 2 226.299 1.549 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](CF)C2)[nH]1 ZINC000880236679 590966288 /nfs/dbraw/zinc/96/62/88/590966288.db2.gz FJBIWKYRQHWLJJ-SECBINFHSA-N 1 2 226.299 1.549 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880236677 590966293 /nfs/dbraw/zinc/96/62/93/590966293.db2.gz FIMQDQICLBQKIP-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880236677 590966294 /nfs/dbraw/zinc/96/62/94/590966294.db2.gz FIMQDQICLBQKIP-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@H+](C)Cc2cccn2C)C1 ZINC000128293983 590968090 /nfs/dbraw/zinc/96/80/90/590968090.db2.gz QKPPAVRQEVTFFM-LBPRGKRZSA-N 1 2 249.358 1.673 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccn2C)C1 ZINC000128293983 590968092 /nfs/dbraw/zinc/96/80/92/590968092.db2.gz QKPPAVRQEVTFFM-LBPRGKRZSA-N 1 2 249.358 1.673 20 0 BDADLO CC(C)n1cc(C[NH+]2CCC(F)CC2)nn1 ZINC000880239204 590972894 /nfs/dbraw/zinc/97/28/94/590972894.db2.gz BRTMEJCQQGLLAE-UHFFFAOYSA-N 1 2 226.299 1.793 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1nccs1 ZINC000880296921 590991511 /nfs/dbraw/zinc/99/15/11/590991511.db2.gz HAPCUQVJLLTTKE-QMMMGPOBSA-N 1 2 243.307 1.373 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1nccs1 ZINC000880296921 590991514 /nfs/dbraw/zinc/99/15/14/590991514.db2.gz HAPCUQVJLLTTKE-QMMMGPOBSA-N 1 2 243.307 1.373 20 0 BDADLO FC[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000880299438 590993851 /nfs/dbraw/zinc/99/38/51/590993851.db2.gz HTABLAVFJIZEKE-LURJTMIESA-N 1 2 235.209 1.799 20 0 BDADLO FC[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000880299438 590993854 /nfs/dbraw/zinc/99/38/54/590993854.db2.gz HTABLAVFJIZEKE-LURJTMIESA-N 1 2 235.209 1.799 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880320164 591003170 /nfs/dbraw/zinc/00/31/70/591003170.db2.gz QDLHYBRJVMSNOD-VIFPVBQESA-N 1 2 249.343 1.261 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320164 591003173 /nfs/dbraw/zinc/00/31/73/591003173.db2.gz QDLHYBRJVMSNOD-VIFPVBQESA-N 1 2 249.343 1.261 20 0 BDADLO c1csc([C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000880320379 591003543 /nfs/dbraw/zinc/00/35/43/591003543.db2.gz GBTCNWGWAXCDMI-MRVPVSSYSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000880320379 591003548 /nfs/dbraw/zinc/00/35/48/591003548.db2.gz GBTCNWGWAXCDMI-MRVPVSSYSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000880320379 591003553 /nfs/dbraw/zinc/00/35/53/591003553.db2.gz GBTCNWGWAXCDMI-MRVPVSSYSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000880320379 591003558 /nfs/dbraw/zinc/00/35/58/591003558.db2.gz GBTCNWGWAXCDMI-MRVPVSSYSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000880320379 591003564 /nfs/dbraw/zinc/00/35/64/591003564.db2.gz GBTCNWGWAXCDMI-MRVPVSSYSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000880320379 591003569 /nfs/dbraw/zinc/00/35/69/591003569.db2.gz GBTCNWGWAXCDMI-MRVPVSSYSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000880320380 591003619 /nfs/dbraw/zinc/00/36/19/591003619.db2.gz GBTCNWGWAXCDMI-QMMMGPOBSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@H]2CC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000880320380 591003624 /nfs/dbraw/zinc/00/36/24/591003624.db2.gz GBTCNWGWAXCDMI-QMMMGPOBSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000880320380 591003630 /nfs/dbraw/zinc/00/36/30/591003630.db2.gz GBTCNWGWAXCDMI-QMMMGPOBSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@H]2CC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000880320380 591003633 /nfs/dbraw/zinc/00/36/33/591003633.db2.gz GBTCNWGWAXCDMI-QMMMGPOBSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000880320380 591003637 /nfs/dbraw/zinc/00/36/37/591003637.db2.gz GBTCNWGWAXCDMI-QMMMGPOBSA-N 1 2 235.316 1.251 20 0 BDADLO c1csc([C@H]2CC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000880320380 591003640 /nfs/dbraw/zinc/00/36/40/591003640.db2.gz GBTCNWGWAXCDMI-QMMMGPOBSA-N 1 2 235.316 1.251 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000128448033 591057462 /nfs/dbraw/zinc/05/74/62/591057462.db2.gz NPCHMUSYDKRFPN-MNOVXSKESA-N 1 2 229.320 1.344 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC=C[C@H]1CO ZINC000880485676 591062029 /nfs/dbraw/zinc/06/20/29/591062029.db2.gz GTMKZCDAJZLLMJ-VIFPVBQESA-N 1 2 241.722 1.115 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+]1CC=C[C@H]1CO ZINC000880485676 591062033 /nfs/dbraw/zinc/06/20/33/591062033.db2.gz GTMKZCDAJZLLMJ-VIFPVBQESA-N 1 2 241.722 1.115 20 0 BDADLO CCC(CC)n1ccc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880488235 591064484 /nfs/dbraw/zinc/06/44/84/591064484.db2.gz AEGXOIBBMAREKR-CQSZACIVSA-N 1 2 249.358 1.977 20 0 BDADLO CCC(CC)n1ccc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880488235 591064487 /nfs/dbraw/zinc/06/44/87/591064487.db2.gz AEGXOIBBMAREKR-CQSZACIVSA-N 1 2 249.358 1.977 20 0 BDADLO Cn1c2ccccc2nc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880488898 591067221 /nfs/dbraw/zinc/06/72/21/591067221.db2.gz ODJPOSKSSLPFGL-LLVKDONJSA-N 1 2 243.310 1.306 20 0 BDADLO Cn1c2ccccc2nc1C[N@H+]1CC=C[C@@H]1CO ZINC000880488898 591067224 /nfs/dbraw/zinc/06/72/24/591067224.db2.gz ODJPOSKSSLPFGL-LLVKDONJSA-N 1 2 243.310 1.306 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC000880494274 591073705 /nfs/dbraw/zinc/07/37/05/591073705.db2.gz LZUHOOWEDIZJRA-SNVBAGLBSA-N 1 2 234.299 1.286 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC000880494274 591073707 /nfs/dbraw/zinc/07/37/07/591073707.db2.gz LZUHOOWEDIZJRA-SNVBAGLBSA-N 1 2 234.299 1.286 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCc3ncncc3C2)c1 ZINC000880599395 591108153 /nfs/dbraw/zinc/10/81/53/591108153.db2.gz LTKWUFLWDVRBIU-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ccnc(C[N@H+]2CCc3ncncc3C2)c1 ZINC000880599395 591108155 /nfs/dbraw/zinc/10/81/55/591108155.db2.gz LTKWUFLWDVRBIU-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO COc1cccc([C@@H]2CN(C(C)=O)CC[NH2+]2)c1 ZINC000211217156 591147566 /nfs/dbraw/zinc/14/75/66/591147566.db2.gz IVJLEUTUHGHOER-ZDUSSCGKSA-N 1 2 234.299 1.188 20 0 BDADLO c1cn(CCCn2cc([C@@H]3CCOC3)nn2)c[nH+]1 ZINC000881299570 591183252 /nfs/dbraw/zinc/18/32/52/591183252.db2.gz OSTXVVZJGQJRKD-LLVKDONJSA-N 1 2 247.302 1.069 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CC[C@@H]3C)[nH+]c12 ZINC000881480521 591210580 /nfs/dbraw/zinc/21/05/80/591210580.db2.gz WFBCRQYUAPQYDO-NSHDSACASA-N 1 2 243.310 1.806 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000881493500 591217144 /nfs/dbraw/zinc/21/71/44/591217144.db2.gz RRYQPVMNMOYDBM-NWDGAFQWSA-N 1 2 245.326 1.528 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000881499616 591222426 /nfs/dbraw/zinc/22/24/26/591222426.db2.gz VNXFAEWYENTLPU-NWDGAFQWSA-N 1 2 245.326 1.528 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000881566382 591240685 /nfs/dbraw/zinc/24/06/85/591240685.db2.gz ZKYNEGBRHCMKMU-VSQXVHSFSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000881566380 591240689 /nfs/dbraw/zinc/24/06/89/591240689.db2.gz ZKYNEGBRHCMKMU-MVZIDQBPSA-N 1 2 245.326 1.694 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@H](CF)C1)n1cc[nH+]c1 ZINC000881676109 591265243 /nfs/dbraw/zinc/26/52/43/591265243.db2.gz FXQHKQLBPNLAHF-WDEREUQCSA-N 1 2 239.294 1.652 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)c2ccco2)c1C ZINC000881801803 591271665 /nfs/dbraw/zinc/27/16/65/591271665.db2.gz PMRUTRZXVZTXNC-JTQLQIEISA-N 1 2 233.271 1.832 20 0 BDADLO Cc1n[nH]cc1CNc1nc[nH+]c(C)c1C ZINC000881845350 591274355 /nfs/dbraw/zinc/27/43/55/591274355.db2.gz MULYSRJZEJZWRL-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO Cc1[nH+]cnc(NCC(=O)NC2CCCC2)c1C ZINC000881865773 591275141 /nfs/dbraw/zinc/27/51/41/591275141.db2.gz LEOWYGYQPTVTAV-UHFFFAOYSA-N 1 2 248.330 1.564 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)Cn2cncn2)c1C ZINC000881865301 591275387 /nfs/dbraw/zinc/27/53/87/591275387.db2.gz UHFFBNOLATUEQS-QMMMGPOBSA-N 1 2 232.291 1.186 20 0 BDADLO CC[S@@](=O)CCNc1nc[nH+]c(C)c1C ZINC000881962449 591283911 /nfs/dbraw/zinc/28/39/11/591283911.db2.gz BZLNJTBNNQXESO-OAHLLOKOSA-N 1 2 227.333 1.274 20 0 BDADLO OCC[C@H](Nc1cc(CO)cc[nH+]1)C1CC1 ZINC000882009485 591287395 /nfs/dbraw/zinc/28/73/95/591287395.db2.gz WMTHTNJDFAVADD-NSHDSACASA-N 1 2 222.288 1.147 20 0 BDADLO Cc1[nH+]cnc(NCC[C@H](C)[S@](C)=O)c1C ZINC000882107478 591299409 /nfs/dbraw/zinc/29/94/09/591299409.db2.gz WLMJVDTUJVZEEV-PWJLMRLQSA-N 1 2 241.360 1.662 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000882119582 591300458 /nfs/dbraw/zinc/30/04/58/591300458.db2.gz IGEZPSFRLGKURX-SECBINFHSA-N 1 2 238.287 1.114 20 0 BDADLO CNC(=O)C(C)(C)CNc1nc[nH+]c(C)c1C ZINC000882120371 591301056 /nfs/dbraw/zinc/30/10/56/591301056.db2.gz WTOCTTGIUMLTSK-UHFFFAOYSA-N 1 2 236.319 1.278 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)c2ccncc2)c1C ZINC000882124850 591301564 /nfs/dbraw/zinc/30/15/64/591301564.db2.gz DMKVYYOXJGGRRN-LBPRGKRZSA-N 1 2 244.298 1.634 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@H]2CCC[C@@H]2O)c1C ZINC000882133573 591303341 /nfs/dbraw/zinc/30/33/41/591303341.db2.gz VOCOXRRIGIYAQT-NEPJUHHUSA-N 1 2 235.331 1.691 20 0 BDADLO C[C@H]1COCCN(c2cc[nH+]cc2F)C1 ZINC000882131216 591303643 /nfs/dbraw/zinc/30/36/43/591303643.db2.gz BWEXNDDVTCDZMA-SECBINFHSA-N 1 2 210.252 1.693 20 0 BDADLO Cc1[nH+]cnc(N(C)CCc2cnccn2)c1C ZINC000882154484 591307539 /nfs/dbraw/zinc/30/75/39/591307539.db2.gz QGCAZUVMYYWSLV-UHFFFAOYSA-N 1 2 243.314 1.562 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)C[C@H](C)O)c1C ZINC000882174586 591311311 /nfs/dbraw/zinc/31/13/11/591311311.db2.gz IKBRMEXZWBLLHP-YUMQZZPRSA-N 1 2 209.293 1.665 20 0 BDADLO Cc1c(CN(C)c2nc[nH+]c(C)c2C)cnn1C ZINC000882281239 591326109 /nfs/dbraw/zinc/32/61/09/591326109.db2.gz BDVSEUOSLCFDHZ-UHFFFAOYSA-N 1 2 245.330 1.772 20 0 BDADLO Cc1cncnc1NCc1c[nH+]cn1C ZINC000882384963 591341049 /nfs/dbraw/zinc/34/10/49/591341049.db2.gz WSWHJHYMWBVLHG-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1cncnc1N[C@H]1CCn2cc[nH+]c21 ZINC000882407470 591344406 /nfs/dbraw/zinc/34/44/06/591344406.db2.gz RYUPJRJBZPRYRC-VIFPVBQESA-N 1 2 215.260 1.538 20 0 BDADLO Cc1ncnc(NCc2ccc[nH+]c2N)c1C ZINC000882415147 591345004 /nfs/dbraw/zinc/34/50/04/591345004.db2.gz AZSDNELAVKBZBJ-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1cnc(C)c(NCc2ccc[nH+]c2N)n1 ZINC000882415172 591345073 /nfs/dbraw/zinc/34/50/73/591345073.db2.gz BYZKYZRTWJUIQS-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO CO[C@H]1CCN(c2nc[nH+]c(C)c2C)C[C@H]1C ZINC000882419089 591345594 /nfs/dbraw/zinc/34/55/94/591345594.db2.gz BVJUGQCTYFTLLK-SKDRFNHKSA-N 1 2 235.331 1.955 20 0 BDADLO CCN1C[C@H](Nc2nc[nH+]c(C)c2C)CC1=O ZINC000882420590 591345604 /nfs/dbraw/zinc/34/56/04/591345604.db2.gz LHUWBWXFMBFOBL-SNVBAGLBSA-N 1 2 234.303 1.126 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc(C=O)cn1 ZINC000882426970 591346961 /nfs/dbraw/zinc/34/69/61/591346961.db2.gz WQDQPBASNOHIMW-SECBINFHSA-N 1 2 245.286 1.679 20 0 BDADLO Cc1[nH+]cnc(NCc2ncccn2)c1C ZINC000882438511 591348929 /nfs/dbraw/zinc/34/89/29/591348929.db2.gz GRBRHXDEOWZJNR-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(Cl)Cl ZINC000882490650 591368191 /nfs/dbraw/zinc/36/81/91/591368191.db2.gz SVBVDSKPKDMAIP-ZETCQYMHSA-N 1 2 239.146 1.391 20 0 BDADLO CC[N@H+]1CC[C@H]1CNC(=O)C(C)(Cl)Cl ZINC000882490650 591368194 /nfs/dbraw/zinc/36/81/94/591368194.db2.gz SVBVDSKPKDMAIP-ZETCQYMHSA-N 1 2 239.146 1.391 20 0 BDADLO COC(=O)[C@@H]1CN(c2nc[nH+]c(C)c2C)C[C@H]1C ZINC000882508599 591380579 /nfs/dbraw/zinc/38/05/79/591380579.db2.gz HCPAWNFISXRGFN-LDYMZIIASA-N 1 2 249.314 1.339 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](CO)CC2CC2)c1C ZINC000882621945 591401801 /nfs/dbraw/zinc/40/18/01/591401801.db2.gz GDQRPXKORZWOHZ-LBPRGKRZSA-N 1 2 235.331 1.914 20 0 BDADLO Clc1cc2c(nc[nH+]c2NC2CSC2)[nH]1 ZINC000882625494 591402470 /nfs/dbraw/zinc/40/24/70/591402470.db2.gz JETQMSHUGAHPTD-UHFFFAOYSA-N 1 2 240.719 1.561 20 0 BDADLO C=C/C=C\CCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000882796411 591441897 /nfs/dbraw/zinc/44/18/97/591441897.db2.gz WRENPQRONCBMBK-DOGVGXBMSA-N 1 2 248.330 1.814 20 0 BDADLO C=C/C=C\CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000882796411 591441899 /nfs/dbraw/zinc/44/18/99/591441899.db2.gz WRENPQRONCBMBK-DOGVGXBMSA-N 1 2 248.330 1.814 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@H](CF)C1 ZINC000882803641 591445221 /nfs/dbraw/zinc/44/52/21/591445221.db2.gz ZANUJXSJWYWPAX-SNVBAGLBSA-N 1 2 239.294 1.980 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](CF)C1 ZINC000882839102 591450049 /nfs/dbraw/zinc/45/00/49/591450049.db2.gz HEBVPOYWWHDDPT-VIFPVBQESA-N 1 2 225.267 1.589 20 0 BDADLO CO[C@@H]1COCC[C@H]1N(C)c1cc[nH+]c(C)n1 ZINC000882939586 591478947 /nfs/dbraw/zinc/47/89/47/591478947.db2.gz BMSMCXWZGWNOLC-GHMZBOCLSA-N 1 2 237.303 1.025 20 0 BDADLO C[C@H]1CCC[C@@H](CO[NH+]=C(N)CO)C1 ZINC000883011856 591511321 /nfs/dbraw/zinc/51/13/21/591511321.db2.gz LIABPTUWRQZKSQ-DTWKUNHWSA-N 1 2 200.282 1.303 20 0 BDADLO C[C@H]1CCC[C@H](CCO[NH+]=C(N)CO)C1 ZINC000883012122 591512149 /nfs/dbraw/zinc/51/21/49/591512149.db2.gz ULHWRLPKRYDOME-VHSXEESVSA-N 1 2 214.309 1.694 20 0 BDADLO Cc1cc(C)cc(CO[NH+]=C(N)CO)c1 ZINC000883010405 591504652 /nfs/dbraw/zinc/50/46/52/591504652.db2.gz OMKUJXHQIHMYLA-UHFFFAOYSA-N 1 2 208.261 1.294 20 0 BDADLO NC(CO)=[NH+]OCCCOc1ccc(F)cc1 ZINC000883010685 591510433 /nfs/dbraw/zinc/51/04/33/591510433.db2.gz XKLNYHZUAQBRAN-UHFFFAOYSA-N 1 2 242.250 1.085 20 0 BDADLO CC(C)(C)c1csc(CO[NH+]=C(N)CO)n1 ZINC000883011609 591510458 /nfs/dbraw/zinc/51/04/58/591510458.db2.gz BMRBOLTUZGTCMI-UHFFFAOYSA-N 1 2 243.332 1.431 20 0 BDADLO NC(CO)=[NH+]OCCCc1ccc(Cl)cc1 ZINC000883011186 591511204 /nfs/dbraw/zinc/51/12/04/591511204.db2.gz MQZKNFNNYUBTPS-UHFFFAOYSA-N 1 2 242.706 1.763 20 0 BDADLO CC(C)(CCO[NH+]=C(N)CO)C1CC1 ZINC000883012851 591512372 /nfs/dbraw/zinc/51/23/72/591512372.db2.gz VTQMZNDNAZANLV-UHFFFAOYSA-N 1 2 200.282 1.303 20 0 BDADLO NC(CO)=[NH+]OCC[C@@H]1CC1(Cl)Cl ZINC000883012452 591512518 /nfs/dbraw/zinc/51/25/18/591512518.db2.gz GWSBALPRGKNOJF-RXMQYKEDSA-N 1 2 227.091 1.061 20 0 BDADLO NC(CO)=[NH+]OCCCCC1CCOCC1 ZINC000883012451 591512661 /nfs/dbraw/zinc/51/26/61/591512661.db2.gz GWKQSOZHZWIRPZ-UHFFFAOYSA-N 1 2 230.308 1.074 20 0 BDADLO C[C@H](CO[NH+]=C(N)CO)C1CCCCC1 ZINC000883012463 591513303 /nfs/dbraw/zinc/51/33/03/591513303.db2.gz HKBWUKUVMZETDP-SECBINFHSA-N 1 2 214.309 1.694 20 0 BDADLO CSc1cccc(CO[NH+]=C(N)CO)c1 ZINC000883013728 591514201 /nfs/dbraw/zinc/51/42/01/591514201.db2.gz YDXZRGNHENOHSZ-UHFFFAOYSA-N 1 2 226.301 1.399 20 0 BDADLO NC(CO)=[NH+]OCCC1CCCCCC1 ZINC000883013045 591515118 /nfs/dbraw/zinc/51/51/18/591515118.db2.gz CIPLGAPNVYIYIY-UHFFFAOYSA-N 1 2 214.309 1.838 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000883048392 591519442 /nfs/dbraw/zinc/51/94/42/591519442.db2.gz NOXRAYNBLUKCGP-SNVBAGLBSA-N 1 2 222.288 1.958 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)no1 ZINC000883041076 591525587 /nfs/dbraw/zinc/52/55/87/591525587.db2.gz ZBMUGPFPSHQQFF-SNVBAGLBSA-N 1 2 232.287 1.353 20 0 BDADLO CC(C)c1c[nH]c(CNCC(F)(F)CO)[nH+]1 ZINC000883089571 591538530 /nfs/dbraw/zinc/53/85/30/591538530.db2.gz NOKBHHJDKCTQQY-UHFFFAOYSA-N 1 2 233.262 1.250 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(C)n(C)c2=O)no1 ZINC000883105522 591540817 /nfs/dbraw/zinc/54/08/17/591540817.db2.gz MYDSPFHVLXQKQW-UHFFFAOYSA-N 1 2 247.298 1.280 20 0 BDADLO Cc1cnc(=S)n(C[NH+]2CCSCC2)c1 ZINC000131260859 591580069 /nfs/dbraw/zinc/58/00/69/591580069.db2.gz DQFUSJUETCICME-UHFFFAOYSA-N 1 2 241.385 1.927 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(F)n1 ZINC000131288554 591584334 /nfs/dbraw/zinc/58/43/34/591584334.db2.gz ZTYXXNAFJLWKAS-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO c1cc(C[NH2+]C2(c3ncccn3)CCC2)c[nH]1 ZINC000883307069 591611220 /nfs/dbraw/zinc/61/12/20/591611220.db2.gz LNQQTWXAGGNPGW-UHFFFAOYSA-N 1 2 228.299 1.974 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)C(F)F ZINC000883407292 591651749 /nfs/dbraw/zinc/65/17/49/591651749.db2.gz QTHWSQQZIMJDFS-LURJTMIESA-N 1 2 204.195 1.964 20 0 BDADLO CC[N@@H+]1CC[C@H]1CN[C@@H]1CCCn2ccnc21 ZINC000883356096 591628182 /nfs/dbraw/zinc/62/81/82/591628182.db2.gz FKGQPRBWJUHXDQ-NWDGAFQWSA-N 1 2 234.347 1.402 20 0 BDADLO CC[N@H+]1CC[C@H]1CN[C@@H]1CCCn2ccnc21 ZINC000883356096 591628186 /nfs/dbraw/zinc/62/81/86/591628186.db2.gz FKGQPRBWJUHXDQ-NWDGAFQWSA-N 1 2 234.347 1.402 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)CCO)C(=O)OC(C)(C)C ZINC000133116864 591766800 /nfs/dbraw/zinc/76/68/00/591766800.db2.gz VDBRCORXSVCCNV-DTWKUNHWSA-N 1 2 217.309 1.077 20 0 BDADLO C/C=C/C=C/C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800096420 591822154 /nfs/dbraw/zinc/82/21/54/591822154.db2.gz DGIJWCJNWUVEPK-KVOZUEDISA-N 1 2 239.315 1.383 20 0 BDADLO C/C=C/C=C/C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800096420 591822156 /nfs/dbraw/zinc/82/21/56/591822156.db2.gz DGIJWCJNWUVEPK-KVOZUEDISA-N 1 2 239.315 1.383 20 0 BDADLO CC[C@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800104730 591823050 /nfs/dbraw/zinc/82/30/50/591823050.db2.gz FCLKPIBGWUCCDJ-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800104730 591823051 /nfs/dbraw/zinc/82/30/51/591823051.db2.gz FCLKPIBGWUCCDJ-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO CCC(CC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800138339 591827191 /nfs/dbraw/zinc/82/71/91/591827191.db2.gz HAXFTJUZXROVOT-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCC(CC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800138339 591827193 /nfs/dbraw/zinc/82/71/93/591827193.db2.gz HAXFTJUZXROVOT-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)/C=C/C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800217076 591840565 /nfs/dbraw/zinc/84/05/65/591840565.db2.gz JYWYKSHJMSUMQU-ITKZLYELSA-N 1 2 241.331 1.463 20 0 BDADLO CC(C)/C=C/C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800217076 591840569 /nfs/dbraw/zinc/84/05/69/591840569.db2.gz JYWYKSHJMSUMQU-ITKZLYELSA-N 1 2 241.331 1.463 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(F)n1 ZINC000134267210 591907874 /nfs/dbraw/zinc/90/78/74/591907874.db2.gz VBRSONWJBYYQJA-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)C(C)(C)CO ZINC000134846748 591953296 /nfs/dbraw/zinc/95/32/96/591953296.db2.gz LEXPUYGNYDNBGH-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)C(C)(C)CO ZINC000134846748 591953300 /nfs/dbraw/zinc/95/33/00/591953300.db2.gz LEXPUYGNYDNBGH-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CCc1nc(N2CCO[C@@H](C(F)F)C2)cc[nH+]1 ZINC000884498452 591958085 /nfs/dbraw/zinc/95/80/85/591958085.db2.gz BSDMKFUPQAYMQI-MRVPVSSYSA-N 1 2 243.257 1.509 20 0 BDADLO CCc1nc(N(C)[C@H]2C[C@@H](OC)C2)cc[nH+]1 ZINC000884504733 591959965 /nfs/dbraw/zinc/95/99/65/591959965.db2.gz PGNVRLAVLOCVKU-AOOOYVTPSA-N 1 2 221.304 1.653 20 0 BDADLO CCc1nc(NCc2ccncn2)cc[nH+]1 ZINC000884508756 591960879 /nfs/dbraw/zinc/96/08/79/591960879.db2.gz OCFXXJKHMCBDEJ-UHFFFAOYSA-N 1 2 215.260 1.441 20 0 BDADLO CCc1nc(N2CC[C@H](CO)[C@@H]2CC)cc[nH+]1 ZINC000884519528 591963793 /nfs/dbraw/zinc/96/37/93/591963793.db2.gz VGEBFOHREALYKQ-MNOVXSKESA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N(C)CCCCOC)cc[nH+]1 ZINC000884532807 591969304 /nfs/dbraw/zinc/96/93/04/591969304.db2.gz QWLPMTJCLNGTOD-UHFFFAOYSA-N 1 2 223.320 1.902 20 0 BDADLO CCc1nc(N(C)[C@H](C)CCO)cc[nH+]1 ZINC000884546492 591975685 /nfs/dbraw/zinc/97/56/85/591975685.db2.gz MCUBROSLZDUNFX-SECBINFHSA-N 1 2 209.293 1.246 20 0 BDADLO CCc1nc(N(C[C@@H](C)O)C2CC2)cc[nH+]1 ZINC000884548210 591976509 /nfs/dbraw/zinc/97/65/09/591976509.db2.gz GEXJKBBVGHPBJU-SECBINFHSA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(NC[C@@H]2CCCO2)cc[nH+]1 ZINC000884553061 591977027 /nfs/dbraw/zinc/97/70/27/591977027.db2.gz OJPWAMYRGIDUGY-VIFPVBQESA-N 1 2 207.277 1.630 20 0 BDADLO CCc1nc(N[C@@H]2C[C@@H](O)C23CCC3)cc[nH+]1 ZINC000884557815 591977951 /nfs/dbraw/zinc/97/79/51/591977951.db2.gz AIXZOXQRDZJKDY-NXEZZACHSA-N 1 2 233.315 1.754 20 0 BDADLO CCc1nc(N(C)Cc2nnc(C)s2)cc[nH+]1 ZINC000884561006 591980806 /nfs/dbraw/zinc/98/08/06/591980806.db2.gz MZQPFNXCBORLGH-UHFFFAOYSA-N 1 2 249.343 1.835 20 0 BDADLO CC[N@H+](C/C=C/Cl)[C@H]1CCS(=O)(=O)C1 ZINC000135112984 591986913 /nfs/dbraw/zinc/98/69/13/591986913.db2.gz UPQGDSZCNWXQCW-SGRBOOSSSA-N 1 2 237.752 1.248 20 0 BDADLO CC[N@@H+](C/C=C/Cl)[C@H]1CCS(=O)(=O)C1 ZINC000135112984 591986914 /nfs/dbraw/zinc/98/69/14/591986914.db2.gz UPQGDSZCNWXQCW-SGRBOOSSSA-N 1 2 237.752 1.248 20 0 BDADLO CCc1nc(NC[C@@H]2C[C@@H]2C(=O)OC)cc[nH+]1 ZINC000884800431 592017969 /nfs/dbraw/zinc/01/79/69/592017969.db2.gz XXHSXVHZCNTYEE-IUCAKERBSA-N 1 2 235.287 1.260 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000884799820 592018421 /nfs/dbraw/zinc/01/84/21/592018421.db2.gz JEBQBWUJELTRGB-RKDXNWHRSA-N 1 2 221.260 1.006 20 0 BDADLO C[C@H]1C(=O)CCCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000885068028 592044552 /nfs/dbraw/zinc/04/45/52/592044552.db2.gz WKDDKNMBWIOVOH-OMMCCPJFSA-N 1 2 247.298 1.013 20 0 BDADLO C[C@H](CC(=O)N1CC(=O)CC[C@@H]1C)n1cc[nH+]c1 ZINC000885075005 592046363 /nfs/dbraw/zinc/04/63/63/592046363.db2.gz XMKGYGRRUQUNOL-WDEREUQCSA-N 1 2 249.314 1.414 20 0 BDADLO CCO[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000885329646 592067817 /nfs/dbraw/zinc/06/78/17/592067817.db2.gz YAZDRWKWMRPYLE-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSC(F)(F)F ZINC000885951973 592113411 /nfs/dbraw/zinc/11/34/11/592113411.db2.gz SSSWGKRODSDZPT-ZETCQYMHSA-N 1 2 229.267 1.960 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSC(F)(F)F ZINC000885951973 592113414 /nfs/dbraw/zinc/11/34/14/592113414.db2.gz SSSWGKRODSDZPT-ZETCQYMHSA-N 1 2 229.267 1.960 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886008708 592129921 /nfs/dbraw/zinc/12/99/21/592129921.db2.gz STYWSUBCSFFYAB-QWHCGFSZSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886008708 592129925 /nfs/dbraw/zinc/12/99/25/592129925.db2.gz STYWSUBCSFFYAB-QWHCGFSZSA-N 1 2 235.331 1.799 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CCC=CCC1 ZINC000886015358 592131357 /nfs/dbraw/zinc/13/13/57/592131357.db2.gz CKTVSEJABPXVAO-UHFFFAOYSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H](C)c2csnn2)c1C ZINC000886147497 592163208 /nfs/dbraw/zinc/16/32/08/592163208.db2.gz USSOJVQWWJBHKI-MRVPVSSYSA-N 1 2 237.332 1.729 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886157926 592165112 /nfs/dbraw/zinc/16/51/12/592165112.db2.gz OACXJKWNNJPKKV-VWYCJHECSA-N 1 2 247.285 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886157926 592165115 /nfs/dbraw/zinc/16/51/15/592165115.db2.gz OACXJKWNNJPKKV-VWYCJHECSA-N 1 2 247.285 1.115 20 0 BDADLO Nc1cnccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886269426 592191727 /nfs/dbraw/zinc/19/17/27/592191727.db2.gz UZBKVVOGINULPQ-UHFFFAOYSA-N 1 2 244.298 1.819 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886274436 592194649 /nfs/dbraw/zinc/19/46/49/592194649.db2.gz SYTPAHLABBJKSH-OLZOCXBDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886274436 592194650 /nfs/dbraw/zinc/19/46/50/592194650.db2.gz SYTPAHLABBJKSH-OLZOCXBDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886274436 592194651 /nfs/dbraw/zinc/19/46/51/592194651.db2.gz SYTPAHLABBJKSH-OLZOCXBDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886274436 592194652 /nfs/dbraw/zinc/19/46/52/592194652.db2.gz SYTPAHLABBJKSH-OLZOCXBDSA-N 1 2 235.331 1.799 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1ncco1 ZINC000886274312 592194731 /nfs/dbraw/zinc/19/47/31/592194731.db2.gz QDZLDGJFJLJMDR-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ncco1 ZINC000886274170 592194907 /nfs/dbraw/zinc/19/49/07/592194907.db2.gz NTXAVXNBGLFZBA-SNVBAGLBSA-N 1 2 246.314 1.986 20 0 BDADLO C([C@H]1C[C@]12CCOC2)[N@@H+]1OC2CCC1CC2 ZINC000886311862 592205860 /nfs/dbraw/zinc/20/58/60/592205860.db2.gz KEUBPJXZKGZOAX-XVSSEFHLSA-N 1 2 223.316 1.971 20 0 BDADLO C([C@H]1C[C@]12CCOC2)[N@H+]1OC2CCC1CC2 ZINC000886311862 592205862 /nfs/dbraw/zinc/20/58/62/592205862.db2.gz KEUBPJXZKGZOAX-XVSSEFHLSA-N 1 2 223.316 1.971 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000886328816 592210167 /nfs/dbraw/zinc/21/01/67/592210167.db2.gz RDSIAFOISWHQRD-DTORHVGOSA-N 1 2 237.328 1.553 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000886328816 592210169 /nfs/dbraw/zinc/21/01/69/592210169.db2.gz RDSIAFOISWHQRD-DTORHVGOSA-N 1 2 237.328 1.553 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCCn2nncc2C1 ZINC000886461113 592227890 /nfs/dbraw/zinc/22/78/90/592227890.db2.gz JTRUFHBZTODMAJ-LLVKDONJSA-N 1 2 243.314 1.640 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCCn2nncc2C1 ZINC000886461113 592227893 /nfs/dbraw/zinc/22/78/93/592227893.db2.gz JTRUFHBZTODMAJ-LLVKDONJSA-N 1 2 243.314 1.640 20 0 BDADLO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ncco2)C1=O ZINC000886532933 592249172 /nfs/dbraw/zinc/24/91/72/592249172.db2.gz RJQAYZQYJHWVAA-ZJUUUORDSA-N 1 2 237.303 1.335 20 0 BDADLO COC(=O)[C@H]1CC[C@@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000886607588 592273907 /nfs/dbraw/zinc/27/39/07/592273907.db2.gz UYNWTWFMKWURPF-JGVFFNPUSA-N 1 2 233.258 1.715 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+][C@H]1CCc3cccnc31)CC2 ZINC000886615309 592275810 /nfs/dbraw/zinc/27/58/10/592275810.db2.gz CZDBBCKMYRUACR-NWDGAFQWSA-N 1 2 240.310 2.000 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)CCC1CC1)C2 ZINC000886621481 592277881 /nfs/dbraw/zinc/27/78/81/592277881.db2.gz QGLMTTBWTMFIFM-UHFFFAOYSA-N 1 2 247.342 1.978 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)CC(C)C)C2 ZINC000886629200 592281593 /nfs/dbraw/zinc/28/15/93/592281593.db2.gz WRFPWLGHWGHTKR-UHFFFAOYSA-N 1 2 235.331 1.834 20 0 BDADLO Cc1nonc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000886650448 592289037 /nfs/dbraw/zinc/28/90/37/592289037.db2.gz XCSFNLHPTDFYBO-SNVBAGLBSA-N 1 2 230.271 1.550 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753133 592316504 /nfs/dbraw/zinc/31/65/04/592316504.db2.gz BYZCLTVCDKYWNC-HTQZYQBOSA-N 1 2 244.364 1.181 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753133 592316509 /nfs/dbraw/zinc/31/65/09/592316509.db2.gz BYZCLTVCDKYWNC-HTQZYQBOSA-N 1 2 244.364 1.181 20 0 BDADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000886811516 592334858 /nfs/dbraw/zinc/33/48/58/592334858.db2.gz VHPNMBXSFDWUNO-VIFPVBQESA-N 1 2 249.236 1.156 20 0 BDADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000886811516 592334863 /nfs/dbraw/zinc/33/48/63/592334863.db2.gz VHPNMBXSFDWUNO-VIFPVBQESA-N 1 2 249.236 1.156 20 0 BDADLO COC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCSC ZINC000886945987 592401328 /nfs/dbraw/zinc/40/13/28/592401328.db2.gz FPXROHAKBHOBMZ-NXEZZACHSA-N 1 2 247.360 1.050 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CC(F)(F)CC)C(N)=O ZINC000887055593 592430116 /nfs/dbraw/zinc/43/01/16/592430116.db2.gz AQRPRTSMBFEOQL-YUMQZZPRSA-N 1 2 222.279 1.521 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CC=C(C)C ZINC000887071892 592434484 /nfs/dbraw/zinc/43/44/84/592434484.db2.gz FCRYWRNZFTUBNW-SNVBAGLBSA-N 1 2 229.345 1.543 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CC=C(C)C ZINC000887071892 592434488 /nfs/dbraw/zinc/43/44/88/592434488.db2.gz FCRYWRNZFTUBNW-SNVBAGLBSA-N 1 2 229.345 1.543 20 0 BDADLO CCSCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887074485 592436293 /nfs/dbraw/zinc/43/62/93/592436293.db2.gz XMUHQDXJLDLENZ-VIFPVBQESA-N 1 2 249.401 1.330 20 0 BDADLO CCSCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887074485 592436295 /nfs/dbraw/zinc/43/62/95/592436295.db2.gz XMUHQDXJLDLENZ-VIFPVBQESA-N 1 2 249.401 1.330 20 0 BDADLO COC[C@@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887099319 592441553 /nfs/dbraw/zinc/44/15/53/592441553.db2.gz ZWQHIUMCUAKZIQ-VIFPVBQESA-N 1 2 223.263 1.113 20 0 BDADLO COC[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887099319 592441555 /nfs/dbraw/zinc/44/15/55/592441555.db2.gz ZWQHIUMCUAKZIQ-VIFPVBQESA-N 1 2 223.263 1.113 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CCCF ZINC000887142437 592455358 /nfs/dbraw/zinc/45/53/58/592455358.db2.gz JZWYNNXEJGNINO-UHFFFAOYSA-N 1 2 214.288 1.650 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CCCF ZINC000887142437 592455360 /nfs/dbraw/zinc/45/53/60/592455360.db2.gz JZWYNNXEJGNINO-UHFFFAOYSA-N 1 2 214.288 1.650 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000140429003 592470203 /nfs/dbraw/zinc/47/02/03/592470203.db2.gz DFMKOCNSDZSLQY-DTWKUNHWSA-N 1 2 207.277 1.490 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000887472138 592512037 /nfs/dbraw/zinc/51/20/37/592512037.db2.gz SQLMNYOHFBHKHI-NEPJUHHUSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000887472138 592512040 /nfs/dbraw/zinc/51/20/40/592512040.db2.gz SQLMNYOHFBHKHI-NEPJUHHUSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000887477773 592512813 /nfs/dbraw/zinc/51/28/13/592512813.db2.gz ZHPWHEWTWNDNAN-WDEREUQCSA-N 1 2 249.314 1.026 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300890026 592523802 /nfs/dbraw/zinc/52/38/02/592523802.db2.gz UDUHDDCRUJELJY-WDEREUQCSA-N 1 2 229.320 1.344 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](C(F)(F)F)C1 ZINC000888011630 592566285 /nfs/dbraw/zinc/56/62/85/592566285.db2.gz KPMRXXXHPJDTLS-QMMMGPOBSA-N 1 2 247.220 1.294 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889589740 592623024 /nfs/dbraw/zinc/62/30/24/592623024.db2.gz FJYJAZVMRYBGBO-GRYCIOLGSA-N 1 2 233.315 1.578 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889604111 592626820 /nfs/dbraw/zinc/62/68/20/592626820.db2.gz UHSSGGKQJIYKPV-MVWJERBFSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889604111 592626822 /nfs/dbraw/zinc/62/68/22/592626822.db2.gz UHSSGGKQJIYKPV-MVWJERBFSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889619323 592631504 /nfs/dbraw/zinc/63/15/04/592631504.db2.gz XMWVNKOSJUGHCK-VSSNEEPJSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889619323 592631508 /nfs/dbraw/zinc/63/15/08/592631508.db2.gz XMWVNKOSJUGHCK-VSSNEEPJSA-N 1 2 245.326 1.818 20 0 BDADLO Cc1cc(NC(=O)C2(C3CC3)CC2)cc[nH+]1 ZINC000889792881 592654381 /nfs/dbraw/zinc/65/43/81/592654381.db2.gz QNSSMZFHXPTFPX-UHFFFAOYSA-N 1 2 216.284 1.941 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2c[nH]cc2C2CC2)c1 ZINC000890100207 592679018 /nfs/dbraw/zinc/67/90/18/592679018.db2.gz RFYWHLMHZZXHGJ-UHFFFAOYSA-N 1 2 244.298 1.556 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C)CC(F)(F)C2)c1 ZINC000890100582 592680194 /nfs/dbraw/zinc/68/01/94/592680194.db2.gz YTNGKKJERSBZOQ-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)CC2(F)F)c1 ZINC000890104743 592681216 /nfs/dbraw/zinc/68/12/16/592681216.db2.gz PQTXXUUQTAILJP-VIFPVBQESA-N 1 2 229.230 1.082 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2cc(C3CC3)no2)c1 ZINC000890106899 592681600 /nfs/dbraw/zinc/68/16/00/592681600.db2.gz HCVMQDAAMXBZRU-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC(C)CCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890106805 592681880 /nfs/dbraw/zinc/68/18/80/592681880.db2.gz DSDIDOJOKYVJKL-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO Cc1ccc(CC(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890109167 592682497 /nfs/dbraw/zinc/68/24/97/592682497.db2.gz FDLSFQHSOYIWKU-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890108198 592682638 /nfs/dbraw/zinc/68/26/38/592682638.db2.gz VVVGGNHEVDAYSP-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CC1=C(C(=O)NCc2cn(C)c[nH+]2)CCCO1 ZINC000890109387 592683198 /nfs/dbraw/zinc/68/31/98/592683198.db2.gz MZWIYNARXCMEQI-UHFFFAOYSA-N 1 2 235.287 1.121 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000890108170 592683369 /nfs/dbraw/zinc/68/33/69/592683369.db2.gz UZNITTYCXUJKMH-QMMMGPOBSA-N 1 2 243.257 1.472 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890111020 592683728 /nfs/dbraw/zinc/68/37/28/592683728.db2.gz ZQHPBHJRACHFFB-QMMMGPOBSA-N 1 2 207.277 1.082 20 0 BDADLO CCc1oc(C(=O)NCc2cn(C)c[nH+]2)cc1C ZINC000890110402 592683974 /nfs/dbraw/zinc/68/39/74/592683974.db2.gz OJSTVUYYAFHKPH-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C\C2CC2)c1 ZINC000890109662 592684071 /nfs/dbraw/zinc/68/40/71/592684071.db2.gz FBVMRJQGEHUOKJ-PLNGDYQASA-N 1 2 205.261 1.003 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110953 592684131 /nfs/dbraw/zinc/68/41/31/592684131.db2.gz XANFLOMDQJBWRA-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CCCCC2)c1 ZINC000890119817 592686407 /nfs/dbraw/zinc/68/64/07/592686407.db2.gz OMJGRWRCBGVEMT-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)O ZINC000890458880 592700020 /nfs/dbraw/zinc/70/00/20/592700020.db2.gz LPIQFTICBMPVAU-QMMMGPOBSA-N 1 2 247.298 1.452 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000890492051 592702137 /nfs/dbraw/zinc/70/21/37/592702137.db2.gz ABXZATXPPZVVHO-VHSXEESVSA-N 1 2 248.282 1.446 20 0 BDADLO Cc1cc(NC(=O)N(C)C2(CO)CCC2)cc[nH+]1 ZINC000828686037 592706587 /nfs/dbraw/zinc/70/65/87/592706587.db2.gz ZJSZRHWXSXOWCF-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO C[N@@H+](CCCC(=O)[O-])CCCn1cc[nH+]c1 ZINC000042718121 604379073 /nfs/dbraw/zinc/37/90/73/604379073.db2.gz JTPMHTRAIFSDDG-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO C[N@H+](CCCC(=O)[O-])CCCn1cc[nH+]c1 ZINC000042718121 604379077 /nfs/dbraw/zinc/37/90/77/604379077.db2.gz JTPMHTRAIFSDDG-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CC[C@@]1(C)CN(c2nccn3c[nH+]cc23)CCO1 ZINC000893395571 634393501 /nfs/dbraw/zinc/39/35/01/634393501.db2.gz OLEGLAJCCIKHSJ-ZDUSSCGKSA-N 1 2 246.314 1.735 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nncs2)C1 ZINC000931475397 634500377 /nfs/dbraw/zinc/50/03/77/634500377.db2.gz TWRZEEDZWPROFZ-IUCAKERBSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nncs2)C1 ZINC000931475397 634500384 /nfs/dbraw/zinc/50/03/84/634500384.db2.gz TWRZEEDZWPROFZ-IUCAKERBSA-N 1 2 227.333 1.537 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001009788982 634570243 /nfs/dbraw/zinc/57/02/43/634570243.db2.gz VUZDKQCGKNBTPJ-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001009788982 634570251 /nfs/dbraw/zinc/57/02/51/634570251.db2.gz VUZDKQCGKNBTPJ-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CCC(C)(C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981858225 635409171 /nfs/dbraw/zinc/40/91/71/635409171.db2.gz FOQOMPDRGQRTFD-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CCC(C)(C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981858225 635409182 /nfs/dbraw/zinc/40/91/82/635409182.db2.gz FOQOMPDRGQRTFD-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CCC(C)(C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308392454 631253082 /nfs/dbraw/zinc/25/30/82/631253082.db2.gz OOBNUKLEPGRSNI-UHFFFAOYSA-N 1 2 221.304 1.716 20 0 BDADLO Nc1ccc(CN2C(=O)CC3(CCC3)C2=O)c[nH+]1 ZINC000308394968 631313693 /nfs/dbraw/zinc/31/36/93/631313693.db2.gz WFLXWPZZGFIYLJ-UHFFFAOYSA-N 1 2 245.282 1.093 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)c2cccc(F)c2)CCO1 ZINC000051160490 631336501 /nfs/dbraw/zinc/33/65/01/631336501.db2.gz CCGFORVYNCKPBI-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)c2cccc(F)c2)CCO1 ZINC000051160490 631336506 /nfs/dbraw/zinc/33/65/06/631336506.db2.gz CCGFORVYNCKPBI-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[N@H+](C/C=C/Cl)Cc1cccc(=O)[nH]1 ZINC000933393993 631358531 /nfs/dbraw/zinc/35/85/31/631358531.db2.gz HMNRPELAEPGRNN-ZZXKWVIFSA-N 1 2 212.680 1.972 20 0 BDADLO C[N@@H+](C/C=C/Cl)Cc1cccc(=O)[nH]1 ZINC000933393993 631358536 /nfs/dbraw/zinc/35/85/36/631358536.db2.gz HMNRPELAEPGRNN-ZZXKWVIFSA-N 1 2 212.680 1.972 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000087781532 631483679 /nfs/dbraw/zinc/48/36/79/631483679.db2.gz SSTRVNDDODMGSG-UHFFFAOYSA-N 1 2 229.320 1.177 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](OC)C2(C)C)nc[nH+]1 ZINC000234536851 631572164 /nfs/dbraw/zinc/57/21/64/631572164.db2.gz WOHFXSVCNIIIJM-IUCAKERBSA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](OC)C2(C)C)[nH+]cn1 ZINC000234536851 631572168 /nfs/dbraw/zinc/57/21/68/631572168.db2.gz WOHFXSVCNIIIJM-IUCAKERBSA-N 1 2 236.319 1.744 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000934011081 631586037 /nfs/dbraw/zinc/58/60/37/631586037.db2.gz JGXXGQBUFPJCIL-SNVBAGLBSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000934011081 631586047 /nfs/dbraw/zinc/58/60/47/631586047.db2.gz JGXXGQBUFPJCIL-SNVBAGLBSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000934013131 631589943 /nfs/dbraw/zinc/58/99/43/631589943.db2.gz FVSRQSCCYVDBQB-LLVKDONJSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000934013131 631589955 /nfs/dbraw/zinc/58/99/55/631589955.db2.gz FVSRQSCCYVDBQB-LLVKDONJSA-N 1 2 213.227 1.531 20 0 BDADLO Cc1cccn2cc(C[N@@H+]3CC[C@H]3CO)nc12 ZINC000934024608 631597934 /nfs/dbraw/zinc/59/79/34/631597934.db2.gz VFHMSXHSDNEYCG-LBPRGKRZSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1cccn2cc(C[N@H+]3CC[C@H]3CO)nc12 ZINC000934024608 631597943 /nfs/dbraw/zinc/59/79/43/631597943.db2.gz VFHMSXHSDNEYCG-LBPRGKRZSA-N 1 2 231.299 1.209 20 0 BDADLO COc1c(C)cnc(C[N@@H+]2CC[C@@H]2CO)c1C ZINC000934023961 631623320 /nfs/dbraw/zinc/62/33/20/631623320.db2.gz NRMNNKKMYCQOPX-LLVKDONJSA-N 1 2 236.315 1.274 20 0 BDADLO COc1c(C)cnc(C[N@H+]2CC[C@@H]2CO)c1C ZINC000934023961 631623328 /nfs/dbraw/zinc/62/33/28/631623328.db2.gz NRMNNKKMYCQOPX-LLVKDONJSA-N 1 2 236.315 1.274 20 0 BDADLO COC(=O)C[C@@H]([NH2+]Cc1ccn[nH]1)C(C)(C)C ZINC000934033630 631633155 /nfs/dbraw/zinc/63/31/55/631633155.db2.gz NEURVYFEVJQWKX-SNVBAGLBSA-N 1 2 239.319 1.477 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ncc(Cl)n1C ZINC000934126228 631704374 /nfs/dbraw/zinc/70/43/74/631704374.db2.gz ORNLIJCVZOYIMR-BDAKNGLRSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ncc(Cl)n1C ZINC000934126228 631704377 /nfs/dbraw/zinc/70/43/77/631704377.db2.gz ORNLIJCVZOYIMR-BDAKNGLRSA-N 1 2 243.738 1.683 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cs1 ZINC000934562718 631925098 /nfs/dbraw/zinc/92/50/98/631925098.db2.gz BCPPXZMPZYTWTK-MNOVXSKESA-N 1 2 229.320 1.961 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cs1 ZINC000934562718 631925100 /nfs/dbraw/zinc/92/51/00/631925100.db2.gz BCPPXZMPZYTWTK-MNOVXSKESA-N 1 2 229.320 1.961 20 0 BDADLO Cc1ncccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934568498 631936495 /nfs/dbraw/zinc/93/64/95/631936495.db2.gz VGZRCRJNSDQPKZ-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934568498 631936491 /nfs/dbraw/zinc/93/64/91/631936491.db2.gz VGZRCRJNSDQPKZ-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2cscn2)C[C@H]1F ZINC000934574468 631946437 /nfs/dbraw/zinc/94/64/37/631946437.db2.gz SUQQTFQFNRFJPI-NXEZZACHSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2cscn2)C[C@H]1F ZINC000934574468 631946444 /nfs/dbraw/zinc/94/64/44/631946444.db2.gz SUQQTFQFNRFJPI-NXEZZACHSA-N 1 2 230.308 1.090 20 0 BDADLO Cc1nc(N[C@H](CCO)C2CC2)cc[nH+]1 ZINC000309230938 631966182 /nfs/dbraw/zinc/96/61/82/631966182.db2.gz WRRRMGUYEKYSJJ-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](CO)C2)o1 ZINC000051887454 631999313 /nfs/dbraw/zinc/99/93/13/631999313.db2.gz PCDJQOMMZSKJSZ-VIFPVBQESA-N 1 2 239.319 1.181 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H](CO)C2)o1 ZINC000051887454 631999323 /nfs/dbraw/zinc/99/93/23/631999323.db2.gz PCDJQOMMZSKJSZ-VIFPVBQESA-N 1 2 239.319 1.181 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCC1OCCCO1 ZINC000091465907 632019661 /nfs/dbraw/zinc/01/96/61/632019661.db2.gz OZZNMEVXNUVNQY-UHFFFAOYSA-N 1 2 239.319 1.005 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCC1OCCCO1 ZINC000091465907 632019671 /nfs/dbraw/zinc/01/96/71/632019671.db2.gz OZZNMEVXNUVNQY-UHFFFAOYSA-N 1 2 239.319 1.005 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000091509770 632043609 /nfs/dbraw/zinc/04/36/09/632043609.db2.gz HHEHFGWFVOXVFX-VIFPVBQESA-N 1 2 226.276 1.292 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000091509770 632043613 /nfs/dbraw/zinc/04/36/13/632043613.db2.gz HHEHFGWFVOXVFX-VIFPVBQESA-N 1 2 226.276 1.292 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)CCO)C(=O)OC(C)(C)C ZINC000309489761 632418349 /nfs/dbraw/zinc/41/83/49/632418349.db2.gz WSZMGNAFWQARHR-NXEZZACHSA-N 1 2 231.336 1.467 20 0 BDADLO C[C@@H](O)C(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935178298 632483592 /nfs/dbraw/zinc/48/35/92/632483592.db2.gz VFCKPAOBIUHTJG-MRVPVSSYSA-N 1 2 247.298 1.452 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ncc[nH]1 ZINC000235194301 632508064 /nfs/dbraw/zinc/50/80/64/632508064.db2.gz FJFHKBFPTBAXMR-DTWKUNHWSA-N 1 2 219.292 1.555 20 0 BDADLO CC1(C)C[N@H+](CCNc2nccs2)CCO1 ZINC000309752803 632664975 /nfs/dbraw/zinc/66/49/75/632664975.db2.gz HBFJGKRBBTUXIZ-UHFFFAOYSA-N 1 2 241.360 1.666 20 0 BDADLO CC1(C)C[N@@H+](CCNc2nccs2)CCO1 ZINC000309752803 632664980 /nfs/dbraw/zinc/66/49/80/632664980.db2.gz HBFJGKRBBTUXIZ-UHFFFAOYSA-N 1 2 241.360 1.666 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1ccon1 ZINC000892448204 632725017 /nfs/dbraw/zinc/72/50/17/632725017.db2.gz GPCLZSXFLJZQNS-UHFFFAOYSA-N 1 2 234.259 1.314 20 0 BDADLO CC(C)=CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179514259 632741269 /nfs/dbraw/zinc/74/12/69/632741269.db2.gz QQPUXAINFOHSOM-NSHDSACASA-N 1 2 227.304 1.217 20 0 BDADLO S=c1[nH]ccn1C[N@@H+]1CCOC2(CCC2)C1 ZINC000179677471 632754042 /nfs/dbraw/zinc/75/40/42/632754042.db2.gz BJIGYGIUPGVPDZ-UHFFFAOYSA-N 1 2 239.344 1.384 20 0 BDADLO S=c1[nH]ccn1C[N@H+]1CCOC2(CCC2)C1 ZINC000179677471 632754046 /nfs/dbraw/zinc/75/40/46/632754046.db2.gz BJIGYGIUPGVPDZ-UHFFFAOYSA-N 1 2 239.344 1.384 20 0 BDADLO Cl/C=C\C[N@@H+]1CCC2(C1)OCCO2 ZINC000255844313 632754820 /nfs/dbraw/zinc/75/48/20/632754820.db2.gz IVSRVUHGSKYZFR-IWQZZHSRSA-N 1 2 203.669 1.188 20 0 BDADLO Cl/C=C\C[N@H+]1CCC2(C1)OCCO2 ZINC000255844313 632754824 /nfs/dbraw/zinc/75/48/24/632754824.db2.gz IVSRVUHGSKYZFR-IWQZZHSRSA-N 1 2 203.669 1.188 20 0 BDADLO CCCCOC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000309229660 632827253 /nfs/dbraw/zinc/82/72/53/632827253.db2.gz WOBXEXSOZMVPQB-UHFFFAOYSA-N 1 2 211.305 1.862 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000309237271 632831690 /nfs/dbraw/zinc/83/16/90/632831690.db2.gz JSDVYQDVBJCKTF-BXKDBHETSA-N 1 2 229.320 1.343 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc[nH]n2)nc1 ZINC000892515356 632868887 /nfs/dbraw/zinc/86/88/87/632868887.db2.gz OCKGAUTUACOLEO-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO CC(C)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000309299379 632904448 /nfs/dbraw/zinc/90/44/48/632904448.db2.gz SRDGVCDPFZDHIO-UHFFFAOYSA-N 1 2 222.288 1.796 20 0 BDADLO c1cn([C@H]2CCCN(Cc3cnon3)C2)c[nH+]1 ZINC000851752605 633182282 /nfs/dbraw/zinc/18/22/82/633182282.db2.gz FMBCDVHOIISEQA-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO CNc1cc(N2C[C@@H]3CCC[C@@H]3C2)nc[nH+]1 ZINC000126673950 635931864 /nfs/dbraw/zinc/93/18/64/635931864.db2.gz SSLYBRIJVQTCEH-AOOOYVTPSA-N 1 2 218.304 1.755 20 0 BDADLO CNc1cc(N2C[C@@H]3CCC[C@@H]3C2)[nH+]cn1 ZINC000126673950 635931873 /nfs/dbraw/zinc/93/18/73/635931873.db2.gz SSLYBRIJVQTCEH-AOOOYVTPSA-N 1 2 218.304 1.755 20 0 BDADLO CC1(C)COC[C@H]1[NH2+]Cc1cnsn1 ZINC000306733738 635974578 /nfs/dbraw/zinc/97/45/78/635974578.db2.gz NKKJXHJAAFUGCX-MRVPVSSYSA-N 1 2 213.306 1.053 20 0 BDADLO CN(CCCF)C(=O)CCCn1cc[nH+]c1 ZINC000895287428 636131221 /nfs/dbraw/zinc/13/12/21/636131221.db2.gz JMALRQSRLWFDJE-UHFFFAOYSA-N 1 2 227.283 1.481 20 0 BDADLO C[C@H]([NH2+]Cc1ccnn1C)c1ccn(C)n1 ZINC000020349974 636131301 /nfs/dbraw/zinc/13/13/01/636131301.db2.gz OALVSKIXAYZNFG-VIFPVBQESA-N 1 2 219.292 1.004 20 0 BDADLO C[C@H]1OCCN(c2nccn3c[nH+]cc23)[C@@H]1C ZINC000892942280 633751523 /nfs/dbraw/zinc/75/15/23/633751523.db2.gz VRXABDFWKJUJHL-NXEZZACHSA-N 1 2 232.287 1.343 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nncs2)C1 ZINC000930609792 633932805 /nfs/dbraw/zinc/93/28/05/633932805.db2.gz LUNXLFLAIAMUKV-ZETCQYMHSA-N 1 2 215.347 1.475 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000930609792 633932811 /nfs/dbraw/zinc/93/28/11/633932811.db2.gz LUNXLFLAIAMUKV-ZETCQYMHSA-N 1 2 215.347 1.475 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(F)nc1 ZINC000189285863 634176364 /nfs/dbraw/zinc/17/63/64/634176364.db2.gz FYSPICLHZGJZEB-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(F)nc1 ZINC000189285863 634176368 /nfs/dbraw/zinc/17/63/68/634176368.db2.gz FYSPICLHZGJZEB-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccon1)C1CC1 ZINC001027709568 635121949 /nfs/dbraw/zinc/12/19/49/635121949.db2.gz VWKAJFOEQTXPDY-GFCCVEGCSA-N 1 2 249.314 1.165 20 0 BDADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccon1)C1CC1 ZINC001027709568 635121955 /nfs/dbraw/zinc/12/19/55/635121955.db2.gz VWKAJFOEQTXPDY-GFCCVEGCSA-N 1 2 249.314 1.165 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001027709095 635122688 /nfs/dbraw/zinc/12/26/88/635122688.db2.gz ACXFRCZRHCHTBF-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001027709095 635122690 /nfs/dbraw/zinc/12/26/90/635122690.db2.gz ACXFRCZRHCHTBF-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO C/C=C(/C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980936784 635301865 /nfs/dbraw/zinc/30/18/65/635301865.db2.gz IDUHEPJZTMZLJY-JYOAFUTRSA-N 1 2 228.311 1.456 20 0 BDADLO C/C=C(/C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980936784 635301868 /nfs/dbraw/zinc/30/18/68/635301868.db2.gz IDUHEPJZTMZLJY-JYOAFUTRSA-N 1 2 228.311 1.456 20 0 BDADLO OCc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000227459707 635450860 /nfs/dbraw/zinc/45/08/60/635450860.db2.gz GWFPKOQXVAXFDF-UHFFFAOYSA-N 1 2 217.272 1.192 20 0 BDADLO CCc1[nH]nc(Cl)c1C[NH2+]CCF ZINC000894224512 635757580 /nfs/dbraw/zinc/75/75/80/635757580.db2.gz WRXXFTUGYKOLNS-UHFFFAOYSA-N 1 2 205.664 1.685 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000928039646 635802137 /nfs/dbraw/zinc/80/21/37/635802137.db2.gz KUARVUOORKRLPI-CHWFTXMASA-N 1 2 219.288 1.044 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cn1 ZINC000895118561 636067894 /nfs/dbraw/zinc/06/78/94/636067894.db2.gz KTSFAXRGVGDKQE-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cn1 ZINC000895118561 636067900 /nfs/dbraw/zinc/06/79/00/636067900.db2.gz KTSFAXRGVGDKQE-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CC2(F)F)[nH+]c1C ZINC000896910828 636253180 /nfs/dbraw/zinc/25/31/80/636253180.db2.gz ZKLMCXXGZUZMOI-SSDOTTSWSA-N 1 2 229.230 1.298 20 0 BDADLO CC(C)Cc1noc([C@H]2C[N@H+](C)C[C@H](C)O2)n1 ZINC000923753152 636819949 /nfs/dbraw/zinc/81/99/49/636819949.db2.gz OHLFRTGJADPGKV-VHSXEESVSA-N 1 2 239.319 1.660 20 0 BDADLO CC(C)Cc1noc([C@H]2C[N@@H+](C)C[C@H](C)O2)n1 ZINC000923753152 636819952 /nfs/dbraw/zinc/81/99/52/636819952.db2.gz OHLFRTGJADPGKV-VHSXEESVSA-N 1 2 239.319 1.660 20 0 BDADLO CCCC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923887802 636961741 /nfs/dbraw/zinc/96/17/41/636961741.db2.gz HUJNFEOHMDOMOZ-LBPRGKRZSA-N 1 2 241.331 1.772 20 0 BDADLO CCCC(=O)COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923887802 636961749 /nfs/dbraw/zinc/96/17/49/636961749.db2.gz HUJNFEOHMDOMOZ-LBPRGKRZSA-N 1 2 241.331 1.772 20 0 BDADLO Cc1c[nH]nc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907482 637063040 /nfs/dbraw/zinc/06/30/40/637063040.db2.gz QIMJQSJKHKQZNF-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO CC(C)(CNC(=O)[C@H]1CC12CC2)n1cc[nH+]c1 ZINC000898910612 637063178 /nfs/dbraw/zinc/06/31/78/637063178.db2.gz UTWKILDRDRJDDX-SNVBAGLBSA-N 1 2 233.315 1.535 20 0 BDADLO COc1ccnc([C@H](C)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000924746208 637068806 /nfs/dbraw/zinc/06/88/06/637068806.db2.gz FKHGDDPDPSXCRJ-NWDGAFQWSA-N 1 2 249.358 1.835 20 0 BDADLO COc1ccnc([C@H](C)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000924746208 637068813 /nfs/dbraw/zinc/06/88/13/637068813.db2.gz FKHGDDPDPSXCRJ-NWDGAFQWSA-N 1 2 249.358 1.835 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCSCC1 ZINC000900236739 637176402 /nfs/dbraw/zinc/17/64/02/637176402.db2.gz XQRFSIWLXWECMB-UHFFFAOYSA-N 1 2 237.328 1.069 20 0 BDADLO COC/C=C\c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904264527 637394434 /nfs/dbraw/zinc/39/44/34/637394434.db2.gz KPMRJYMDKWDPBT-ARJAWSKDSA-N 1 2 246.270 1.682 20 0 BDADLO COc1cnc(C=Cc2[nH]c(C)c(C)[nH+]2)[nH]c1=O ZINC000905077470 637578192 /nfs/dbraw/zinc/57/81/92/637578192.db2.gz XDPGKQAQHYEFTB-SNAWJCMRSA-N 1 2 246.270 1.701 20 0 BDADLO C[NH2+][C@H](CC(C)(C)C)c1nc(C2(N)CC2)no1 ZINC000905324676 637751216 /nfs/dbraw/zinc/75/12/16/637751216.db2.gz NQSCOVVRHWECAN-MRVPVSSYSA-N 1 2 238.335 1.714 20 0 BDADLO CCCNc1cc(N[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000323686985 637890947 /nfs/dbraw/zinc/89/09/47/637890947.db2.gz HYIXQQVMSJRJEQ-UWVGGRQHSA-N 1 2 236.319 1.624 20 0 BDADLO CCCNc1cc(N[C@H]2CCC[C@@H]2O)[nH+]cn1 ZINC000323686985 637890949 /nfs/dbraw/zinc/89/09/49/637890949.db2.gz HYIXQQVMSJRJEQ-UWVGGRQHSA-N 1 2 236.319 1.624 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2cc[nH]c2=S)CCO1 ZINC000905740751 637905317 /nfs/dbraw/zinc/90/53/17/637905317.db2.gz STDSXAVRHMFOAW-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2cc[nH]c2=S)CCO1 ZINC000905740751 637905320 /nfs/dbraw/zinc/90/53/20/637905320.db2.gz STDSXAVRHMFOAW-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H](C)CSC)C(=O)OC ZINC000905762190 637916632 /nfs/dbraw/zinc/91/66/32/637916632.db2.gz RPGIGFCQHDWCER-AEJSXWLSSA-N 1 2 233.377 1.915 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C(=O)OC ZINC000905822924 637945007 /nfs/dbraw/zinc/94/50/07/637945007.db2.gz KVLVPYHKLSNRGJ-GHMZBOCLSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906284382 638127097 /nfs/dbraw/zinc/12/70/97/638127097.db2.gz YWOVKCFPLBAIHK-JTQLQIEISA-N 1 2 236.319 1.224 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906284382 638127099 /nfs/dbraw/zinc/12/70/99/638127099.db2.gz YWOVKCFPLBAIHK-JTQLQIEISA-N 1 2 236.319 1.224 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C3CC3)nn2)CCCO1 ZINC000906265179 638127817 /nfs/dbraw/zinc/12/78/17/638127817.db2.gz XZUVNIWKALMTMR-SNVBAGLBSA-N 1 2 236.319 1.224 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C3CC3)nn2)CCCO1 ZINC000906265179 638127823 /nfs/dbraw/zinc/12/78/23/638127823.db2.gz XZUVNIWKALMTMR-SNVBAGLBSA-N 1 2 236.319 1.224 20 0 BDADLO c1c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)nnn1C1CC1 ZINC000906306866 638138924 /nfs/dbraw/zinc/13/89/24/638138924.db2.gz FTIYXCYFFXKIGA-MFKMUULPSA-N 1 2 248.330 1.224 20 0 BDADLO c1c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)nnn1C1CC1 ZINC000906306866 638138929 /nfs/dbraw/zinc/13/89/29/638138929.db2.gz FTIYXCYFFXKIGA-MFKMUULPSA-N 1 2 248.330 1.224 20 0 BDADLO CCCC[NH2+]C(c1nccn1C)c1nccn1C ZINC000906533279 638200161 /nfs/dbraw/zinc/20/01/61/638200161.db2.gz BBTYGXKWTHXOGD-UHFFFAOYSA-N 1 2 247.346 1.633 20 0 BDADLO CCCC[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000906534059 638202039 /nfs/dbraw/zinc/20/20/39/638202039.db2.gz MTTNKMXSLBJTQN-SECBINFHSA-N 1 2 224.308 1.546 20 0 BDADLO O=C1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CCCN1 ZINC000906590854 638214798 /nfs/dbraw/zinc/21/47/98/638214798.db2.gz MYHGEJSDTAWMCC-STQMWFEESA-N 1 2 248.301 1.504 20 0 BDADLO O=C1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CCCN1 ZINC000906590854 638214801 /nfs/dbraw/zinc/21/48/01/638214801.db2.gz MYHGEJSDTAWMCC-STQMWFEESA-N 1 2 248.301 1.504 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CCCCO1 ZINC000907272905 638332700 /nfs/dbraw/zinc/33/27/00/638332700.db2.gz LVTQPSZTUBKLRD-NSHDSACASA-N 1 2 237.303 1.028 20 0 BDADLO CON(C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000907367267 638362707 /nfs/dbraw/zinc/36/27/07/638362707.db2.gz FERVWGSEKFYVCX-UHFFFAOYSA-N 1 2 223.276 1.285 20 0 BDADLO C[C@@H](CCC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907435929 638382409 /nfs/dbraw/zinc/38/24/09/638382409.db2.gz DPNUSWZCSKDNOV-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907468469 638384822 /nfs/dbraw/zinc/38/48/22/638384822.db2.gz ZIAWSXIQZZHTKH-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H]1CCSCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907712022 638451581 /nfs/dbraw/zinc/45/15/81/638451581.db2.gz CKCRAPGPVXUOAZ-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000908079701 638566947 /nfs/dbraw/zinc/56/69/47/638566947.db2.gz MAHDWMNGNZOVIK-RYUDHWBXSA-N 1 2 249.314 1.122 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCC1(F)F ZINC000908257741 638619585 /nfs/dbraw/zinc/61/95/85/638619585.db2.gz LXZBCEFKJRCGRL-QMMMGPOBSA-N 1 2 243.257 1.456 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCc2occc2C1 ZINC000908248971 638624434 /nfs/dbraw/zinc/62/44/34/638624434.db2.gz HCNRTMPVFUMRDZ-UHFFFAOYSA-N 1 2 245.282 1.520 20 0 BDADLO CCOCC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908242699 638625342 /nfs/dbraw/zinc/62/53/42/638625342.db2.gz QHBDVRURXNYNEX-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO C/C(Cl)=C/C(=O)NCc1c[nH+]cn1C ZINC000908259886 638627214 /nfs/dbraw/zinc/62/72/14/638627214.db2.gz JUMCEEWOCZQUFP-CLTKARDFSA-N 1 2 213.668 1.179 20 0 BDADLO CCN(CC(C)=O)C(=O)c1cccc2[nH+]ccn21 ZINC000908390317 638688517 /nfs/dbraw/zinc/68/85/17/638688517.db2.gz UDOOINWQXUJGJK-UHFFFAOYSA-N 1 2 245.282 1.385 20 0 BDADLO CC/C=C/CNC(=O)CNc1cccc[nH+]1 ZINC000908672249 639048307 /nfs/dbraw/zinc/04/83/07/639048307.db2.gz AHMBZWOQPZANAS-HWKANZROSA-N 1 2 219.288 1.576 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(C2CC2)CC1 ZINC000908759526 639063028 /nfs/dbraw/zinc/06/30/28/639063028.db2.gz IDWCXHYTCRUKKF-SNVBAGLBSA-N 1 2 231.299 1.114 20 0 BDADLO CC1(C2(NC(=O)CNc3cccc[nH+]3)CC2)CC1 ZINC000909277709 639194309 /nfs/dbraw/zinc/19/43/09/639194309.db2.gz ZIMJCFOQCORYNR-UHFFFAOYSA-N 1 2 245.326 1.942 20 0 BDADLO COCC(COC)[N@H+]1Cc2cccnc2C1 ZINC000930307257 639694164 /nfs/dbraw/zinc/69/41/64/639694164.db2.gz NHOWTMLRTJZKOL-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO COCC(COC)[N@@H+]1Cc2cccnc2C1 ZINC000930307257 639694159 /nfs/dbraw/zinc/69/41/59/639694159.db2.gz NHOWTMLRTJZKOL-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO CCCCNC(=S)N[C@H](C)Cn1cc[nH+]c1 ZINC000044138960 639694952 /nfs/dbraw/zinc/69/49/52/639694952.db2.gz KBTOFCYRVLIHIN-SNVBAGLBSA-N 1 2 240.376 1.536 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cncc2F)C1 ZINC000930448311 639754700 /nfs/dbraw/zinc/75/47/00/639754700.db2.gz UBJZVZVTBHEZKV-DTORHVGOSA-N 1 2 242.269 1.969 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cncc2F)C1 ZINC000930448311 639754706 /nfs/dbraw/zinc/75/47/06/639754706.db2.gz UBJZVZVTBHEZKV-DTORHVGOSA-N 1 2 242.269 1.969 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000930515863 639794409 /nfs/dbraw/zinc/79/44/09/639794409.db2.gz RMEGIWRMVMDFOX-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000930515863 639794415 /nfs/dbraw/zinc/79/44/15/639794415.db2.gz RMEGIWRMVMDFOX-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@H+](C)Cc1c(F)cccc1F ZINC000930580843 639813711 /nfs/dbraw/zinc/81/37/11/639813711.db2.gz MDVWHEVUFRWUEP-PRHODGIISA-N 1 2 245.269 1.138 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@@H+](C)Cc1c(F)cccc1F ZINC000930580843 639813712 /nfs/dbraw/zinc/81/37/12/639813712.db2.gz MDVWHEVUFRWUEP-PRHODGIISA-N 1 2 245.269 1.138 20 0 BDADLO CCc1onc(C)c1C[N@H+](C)C(C)(C)C(N)=O ZINC000930595943 639815789 /nfs/dbraw/zinc/81/57/89/639815789.db2.gz DPEOJXDBYUPPTP-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CCc1onc(C)c1C[N@@H+](C)C(C)(C)C(N)=O ZINC000930595943 639815790 /nfs/dbraw/zinc/81/57/90/639815790.db2.gz DPEOJXDBYUPPTP-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCC[C@](C)(F)C1 ZINC000930596889 639816196 /nfs/dbraw/zinc/81/61/96/639816196.db2.gz YSWHPXJSEJVDOL-FUEXJSSKSA-N 1 2 229.295 1.930 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCC[C@](C)(F)C1 ZINC000930596889 639816197 /nfs/dbraw/zinc/81/61/97/639816197.db2.gz YSWHPXJSEJVDOL-FUEXJSSKSA-N 1 2 229.295 1.930 20 0 BDADLO C[C@@]1(F)CCC[N@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000930596930 639816476 /nfs/dbraw/zinc/81/64/76/639816476.db2.gz YZOVFWLYKWRFOX-GHMZBOCLSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000930596930 639816477 /nfs/dbraw/zinc/81/64/77/639816477.db2.gz YZOVFWLYKWRFOX-GHMZBOCLSA-N 1 2 249.351 1.388 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C[C@H](CO)C2)c(C)c[nH+]1 ZINC000930626013 639827867 /nfs/dbraw/zinc/82/78/67/639827867.db2.gz PILMUUYWMRDLMO-XYPYZODXSA-N 1 2 249.314 1.013 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nncs2)C[C@@H]1C ZINC000930637718 639835534 /nfs/dbraw/zinc/83/55/34/639835534.db2.gz LWEUTIYETLWXQK-IUCAKERBSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nncs2)C[C@@H]1C ZINC000930637718 639835535 /nfs/dbraw/zinc/83/55/35/639835535.db2.gz LWEUTIYETLWXQK-IUCAKERBSA-N 1 2 227.333 1.395 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccn(C)n2)c(C)nn1 ZINC000930704279 639871713 /nfs/dbraw/zinc/87/17/13/639871713.db2.gz LVOXYCGFTFNSAW-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@H](Cc1ccccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000912059700 639929705 /nfs/dbraw/zinc/92/97/05/639929705.db2.gz POJOPPOMUHMTSN-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC(F)(F)F ZINC000930832756 639932888 /nfs/dbraw/zinc/93/28/88/639932888.db2.gz ZVGOFDXRLLGXAD-RNJXMRFFSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC(F)(F)F ZINC000930832756 639932891 /nfs/dbraw/zinc/93/28/91/639932891.db2.gz ZVGOFDXRLLGXAD-RNJXMRFFSA-N 1 2 238.253 1.536 20 0 BDADLO Cc1ccnc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1 ZINC000930837162 639934837 /nfs/dbraw/zinc/93/48/37/639934837.db2.gz LACLJAJQHIWANN-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccnc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1 ZINC000930837162 639934840 /nfs/dbraw/zinc/93/48/40/639934840.db2.gz LACLJAJQHIWANN-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1c(F)cncc1F ZINC000930862053 639953578 /nfs/dbraw/zinc/95/35/78/639953578.db2.gz HJTNVYPSMXWSHY-QMMMGPOBSA-N 1 2 230.258 1.563 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1c(F)cncc1F ZINC000930862053 639953582 /nfs/dbraw/zinc/95/35/82/639953582.db2.gz HJTNVYPSMXWSHY-QMMMGPOBSA-N 1 2 230.258 1.563 20 0 BDADLO CC(C)(C)[C@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930875578 639965024 /nfs/dbraw/zinc/96/50/24/639965024.db2.gz XYADEORFTIVHCM-RNCFNFMXSA-N 1 2 243.347 1.467 20 0 BDADLO COC(C)(C)CC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930873398 639965794 /nfs/dbraw/zinc/96/57/94/639965794.db2.gz XYWYTOWNJMBUGM-ZDUSSCGKSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000912279204 640013638 /nfs/dbraw/zinc/01/36/38/640013638.db2.gz SAAMNFJJBNNPCO-SECBINFHSA-N 1 2 209.293 1.599 20 0 BDADLO CO[C@H]1C[N@H+](CCCC(C)(F)F)CCO1 ZINC000931034886 640019569 /nfs/dbraw/zinc/01/95/69/640019569.db2.gz BDHPTUJXWZMHGQ-SECBINFHSA-N 1 2 223.263 1.727 20 0 BDADLO CO[C@H]1C[N@@H+](CCCC(C)(F)F)CCO1 ZINC000931034886 640019576 /nfs/dbraw/zinc/01/95/76/640019576.db2.gz BDHPTUJXWZMHGQ-SECBINFHSA-N 1 2 223.263 1.727 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)s1 ZINC000931060576 640046868 /nfs/dbraw/zinc/04/68/68/640046868.db2.gz WBQATPKTGHTNAS-RKDXNWHRSA-N 1 2 225.317 1.006 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)s1 ZINC000931060576 640046872 /nfs/dbraw/zinc/04/68/72/640046872.db2.gz WBQATPKTGHTNAS-RKDXNWHRSA-N 1 2 225.317 1.006 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)s1 ZINC000931060575 640047454 /nfs/dbraw/zinc/04/74/54/640047454.db2.gz WBQATPKTGHTNAS-IUCAKERBSA-N 1 2 225.317 1.006 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)s1 ZINC000931060575 640047458 /nfs/dbraw/zinc/04/74/58/640047458.db2.gz WBQATPKTGHTNAS-IUCAKERBSA-N 1 2 225.317 1.006 20 0 BDADLO CC(C)C[C@H](C)[N@H+](C)C1CS(=O)(=O)C1 ZINC000931234964 640108142 /nfs/dbraw/zinc/10/81/42/640108142.db2.gz CMRIEVHOCJSLRI-VIFPVBQESA-N 1 2 219.350 1.150 20 0 BDADLO CC(C)C[C@H](C)[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931234964 640108147 /nfs/dbraw/zinc/10/81/47/640108147.db2.gz CMRIEVHOCJSLRI-VIFPVBQESA-N 1 2 219.350 1.150 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000912521464 640108136 /nfs/dbraw/zinc/10/81/36/640108136.db2.gz HSGCOLBSSRXSFQ-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C/C=C/C=C/C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912616342 640123784 /nfs/dbraw/zinc/12/37/84/640123784.db2.gz CCSVWKJNNNPXMC-YTXTXJHMSA-N 1 2 233.315 1.867 20 0 BDADLO FC(F)[C@@H]1CCN1CCCn1cc[nH+]c1 ZINC000931424764 640193722 /nfs/dbraw/zinc/19/37/22/640193722.db2.gz KYBVZURMPSOJSU-VIFPVBQESA-N 1 2 215.247 1.613 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461257 640220479 /nfs/dbraw/zinc/22/04/79/640220479.db2.gz RYEXKNACERSQDV-ZJUUUORDSA-N 1 2 243.314 1.880 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461257 640220485 /nfs/dbraw/zinc/22/04/85/640220485.db2.gz RYEXKNACERSQDV-ZJUUUORDSA-N 1 2 243.314 1.880 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461254 640221242 /nfs/dbraw/zinc/22/12/42/640221242.db2.gz RYEXKNACERSQDV-UWVGGRQHSA-N 1 2 243.314 1.880 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461254 640221248 /nfs/dbraw/zinc/22/12/48/640221248.db2.gz RYEXKNACERSQDV-UWVGGRQHSA-N 1 2 243.314 1.880 20 0 BDADLO CCn1ncc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)n1 ZINC000931463365 640223467 /nfs/dbraw/zinc/22/34/67/640223467.db2.gz VAOITCIRTFETKZ-VIFPVBQESA-N 1 2 246.318 1.140 20 0 BDADLO CCn1ncc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)n1 ZINC000931463365 640223476 /nfs/dbraw/zinc/22/34/76/640223476.db2.gz VAOITCIRTFETKZ-VIFPVBQESA-N 1 2 246.318 1.140 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)s1 ZINC000931547209 640265288 /nfs/dbraw/zinc/26/52/88/640265288.db2.gz DZZABQNTXZZWLP-BDAKNGLRSA-N 1 2 241.385 1.723 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)s1 ZINC000931547209 640265290 /nfs/dbraw/zinc/26/52/90/640265290.db2.gz DZZABQNTXZZWLP-BDAKNGLRSA-N 1 2 241.385 1.723 20 0 BDADLO CO[C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931561002 640275800 /nfs/dbraw/zinc/27/58/00/640275800.db2.gz ZEECBYRQONZBDV-VIFPVBQESA-N 1 2 247.298 1.718 20 0 BDADLO CCC(F)(F)CNC(=O)CNc1cccc[nH+]1 ZINC000913016297 640283798 /nfs/dbraw/zinc/28/37/98/640283798.db2.gz KGTQTVACZIZGKI-UHFFFAOYSA-N 1 2 243.257 1.655 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2ccns2)CC1 ZINC000913058606 640298186 /nfs/dbraw/zinc/29/81/86/640298186.db2.gz JWWJQJDTZWYHPC-UHFFFAOYSA-N 1 2 239.344 1.814 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)o1 ZINC000931703905 640328540 /nfs/dbraw/zinc/32/85/40/640328540.db2.gz MHNULSANWQTRIP-JQWIXIFHSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)o1 ZINC000931703905 640328545 /nfs/dbraw/zinc/32/85/45/640328545.db2.gz MHNULSANWQTRIP-JQWIXIFHSA-N 1 2 249.314 1.084 20 0 BDADLO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725010 640340425 /nfs/dbraw/zinc/34/04/25/640340425.db2.gz RMVLGIIWHPKXJL-OLZOCXBDSA-N 1 2 226.364 1.582 20 0 BDADLO CCOCCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725010 640340429 /nfs/dbraw/zinc/34/04/29/640340429.db2.gz RMVLGIIWHPKXJL-OLZOCXBDSA-N 1 2 226.364 1.582 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccns1 ZINC000913338008 640355679 /nfs/dbraw/zinc/35/56/79/640355679.db2.gz UNRVMARUMNFROL-ZETCQYMHSA-N 1 2 236.300 1.286 20 0 BDADLO CC[C@H](CO)[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC000931775063 640367867 /nfs/dbraw/zinc/36/78/67/640367867.db2.gz QJBQUCMFLKIMMY-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c(c2)OCCO3)c[nH]1 ZINC000054763462 640406243 /nfs/dbraw/zinc/40/62/43/640406243.db2.gz RWWNEQYCZDEOPA-UHFFFAOYSA-N 1 2 245.282 1.471 20 0 BDADLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCOC1 ZINC000932201816 640452650 /nfs/dbraw/zinc/45/26/50/640452650.db2.gz QJBKDKQBKVWLDG-SNVBAGLBSA-N 1 2 245.282 1.424 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccs2)CCO1 ZINC000932339796 640484957 /nfs/dbraw/zinc/48/49/57/640484957.db2.gz BMFGXYKRXHOHGS-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccs2)CCO1 ZINC000932339796 640484965 /nfs/dbraw/zinc/48/49/65/640484965.db2.gz BMFGXYKRXHOHGS-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CCCNc1cc(NC[C@H](C)CCO)nc[nH+]1 ZINC000156698375 640485611 /nfs/dbraw/zinc/48/56/11/640485611.db2.gz JWJZSBCZRUXQRY-SNVBAGLBSA-N 1 2 238.335 1.729 20 0 BDADLO CCCNc1cc(NC[C@H](C)CCO)[nH+]cn1 ZINC000156698375 640485613 /nfs/dbraw/zinc/48/56/13/640485613.db2.gz JWJZSBCZRUXQRY-SNVBAGLBSA-N 1 2 238.335 1.729 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932476277 640541874 /nfs/dbraw/zinc/54/18/74/640541874.db2.gz YEMAUIYKPAYPRU-DDHJBXDOSA-N 1 2 247.342 1.751 20 0 BDADLO CC[N@H+](CCC(N)=O)Cc1csc(Cl)n1 ZINC000932479132 640546567 /nfs/dbraw/zinc/54/65/67/640546567.db2.gz RLSJOFJTOAFRFB-UHFFFAOYSA-N 1 2 247.751 1.494 20 0 BDADLO CC[N@@H+](CCC(N)=O)Cc1csc(Cl)n1 ZINC000932479132 640546573 /nfs/dbraw/zinc/54/65/73/640546573.db2.gz RLSJOFJTOAFRFB-UHFFFAOYSA-N 1 2 247.751 1.494 20 0 BDADLO C[C@@H]1COC[C@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000932496047 640558914 /nfs/dbraw/zinc/55/89/14/640558914.db2.gz ABYJWRZDOSJVCF-RKDXNWHRSA-N 1 2 239.319 1.492 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccc(C)o2)C1 ZINC001030081213 640582775 /nfs/dbraw/zinc/58/27/75/640582775.db2.gz NPTLMSZOTQMZOL-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2c(C)noc2C)C1 ZINC001030095195 640591044 /nfs/dbraw/zinc/59/10/44/640591044.db2.gz HKZORDCZOFDLDO-UHFFFAOYSA-N 1 2 237.303 1.115 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000932644295 640596391 /nfs/dbraw/zinc/59/63/91/640596391.db2.gz IMHGARINCBMTSZ-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000932644295 640596402 /nfs/dbraw/zinc/59/64/02/640596402.db2.gz IMHGARINCBMTSZ-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccc(=O)[nH]2)on1 ZINC000933396794 640713912 /nfs/dbraw/zinc/71/39/12/640713912.db2.gz UFEJBWNPZJBVFY-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccc(=O)[nH]2)on1 ZINC000933396794 640713914 /nfs/dbraw/zinc/71/39/14/640713914.db2.gz UFEJBWNPZJBVFY-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cn1nccc1[C@@H]1C[N@H+](CCCF)CCO1 ZINC000933533450 640723623 /nfs/dbraw/zinc/72/36/23/640723623.db2.gz KBMMISICPCFFRB-NSHDSACASA-N 1 2 227.283 1.153 20 0 BDADLO Cn1nccc1[C@@H]1C[N@@H+](CCCF)CCO1 ZINC000933533450 640723627 /nfs/dbraw/zinc/72/36/27/640723627.db2.gz KBMMISICPCFFRB-NSHDSACASA-N 1 2 227.283 1.153 20 0 BDADLO Cl/C=C\C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933667111 640742171 /nfs/dbraw/zinc/74/21/71/640742171.db2.gz PGEULRHDBKKZQP-HQAKDBJCSA-N 1 2 245.750 1.866 20 0 BDADLO Cl/C=C\C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933667111 640742174 /nfs/dbraw/zinc/74/21/74/640742174.db2.gz PGEULRHDBKKZQP-HQAKDBJCSA-N 1 2 245.750 1.866 20 0 BDADLO CNc1cc(NC[C@H](O)CC(C)(C)C)[nH+]cn1 ZINC000226300951 640745719 /nfs/dbraw/zinc/74/57/19/640745719.db2.gz BCXYSJSEQNNHCV-SECBINFHSA-N 1 2 238.335 1.727 20 0 BDADLO CC[NH+]1CC(NC(=O)c2sc(C)cc2C)C1 ZINC001030376278 640804039 /nfs/dbraw/zinc/80/40/39/640804039.db2.gz ZHVGHZHASNHZBF-UHFFFAOYSA-N 1 2 238.356 1.799 20 0 BDADLO CCNC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934003570 640804319 /nfs/dbraw/zinc/80/43/19/640804319.db2.gz KGOZJTMLAAQKGG-UHFFFAOYSA-N 1 2 222.288 1.380 20 0 BDADLO CCNC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934003570 640804321 /nfs/dbraw/zinc/80/43/21/640804321.db2.gz KGOZJTMLAAQKGG-UHFFFAOYSA-N 1 2 222.288 1.380 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000087415867 640887852 /nfs/dbraw/zinc/88/78/52/640887852.db2.gz IPDTYMUAZHIQEX-SKUMGHAQSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000087415867 640887858 /nfs/dbraw/zinc/88/78/58/640887858.db2.gz IPDTYMUAZHIQEX-SKUMGHAQSA-N 1 2 227.304 1.215 20 0 BDADLO CCCNc1cc(NCC(F)(F)CO)nc[nH+]1 ZINC000228825313 640898353 /nfs/dbraw/zinc/89/83/53/640898353.db2.gz KQSGLUUNCZFPPV-UHFFFAOYSA-N 1 2 246.261 1.338 20 0 BDADLO CCCNc1cc(NCC(F)(F)CO)[nH+]cn1 ZINC000228825313 640898357 /nfs/dbraw/zinc/89/83/57/640898357.db2.gz KQSGLUUNCZFPPV-UHFFFAOYSA-N 1 2 246.261 1.338 20 0 BDADLO CCc1ccc(C(=O)NC2C[NH+](CC)C2)o1 ZINC001030538495 640905589 /nfs/dbraw/zinc/90/55/89/640905589.db2.gz MEZARIUOJMPTII-UHFFFAOYSA-N 1 2 222.288 1.276 20 0 BDADLO COc1c(N)[nH+]cnc1NCC(C)(C)SC ZINC000229149855 640928270 /nfs/dbraw/zinc/92/82/70/640928270.db2.gz MSMIKBVYFZQJPQ-UHFFFAOYSA-N 1 2 242.348 1.621 20 0 BDADLO COc1c(N)nc[nH+]c1NCC(C)(C)SC ZINC000229149855 640928273 /nfs/dbraw/zinc/92/82/73/640928273.db2.gz MSMIKBVYFZQJPQ-UHFFFAOYSA-N 1 2 242.348 1.621 20 0 BDADLO CCCNc1cc(NCC[S@@](C)=O)[nH+]cn1 ZINC000229300248 640943866 /nfs/dbraw/zinc/94/38/66/640943866.db2.gz ASUYEYVIGVENDD-MRXNPFEDSA-N 1 2 242.348 1.089 20 0 BDADLO CNc1cc(N2CCC[C@](C)(O)CC2)nc[nH+]1 ZINC000230384784 641050904 /nfs/dbraw/zinc/05/09/04/641050904.db2.gz KBMQPPYMDATORU-LBPRGKRZSA-N 1 2 236.319 1.260 20 0 BDADLO CNc1cc(N2CCC[C@](C)(O)CC2)[nH+]cn1 ZINC000230384784 641050906 /nfs/dbraw/zinc/05/09/06/641050906.db2.gz KBMQPPYMDATORU-LBPRGKRZSA-N 1 2 236.319 1.260 20 0 BDADLO CNc1cc(N[C@@H](C)CCOC)[nH+]cn1 ZINC000087831576 641063483 /nfs/dbraw/zinc/06/34/83/641063483.db2.gz VVEYJGZBFVNURY-QMMMGPOBSA-N 1 2 210.281 1.355 20 0 BDADLO CNc1cc(N[C@@H](C)CCCO)[nH+]cn1 ZINC000087838830 641065625 /nfs/dbraw/zinc/06/56/25/641065625.db2.gz FRBZTYQJBRABTA-QMMMGPOBSA-N 1 2 210.281 1.091 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000934128877 641089149 /nfs/dbraw/zinc/08/91/49/641089149.db2.gz ZGXXTWZKAPYPJF-FKTZTGRPSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000934128877 641089151 /nfs/dbraw/zinc/08/91/51/641089151.db2.gz ZGXXTWZKAPYPJF-FKTZTGRPSA-N 1 2 225.292 1.548 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCOC23CCCC3)no1 ZINC000934395586 641140803 /nfs/dbraw/zinc/14/08/03/641140803.db2.gz LEILNRHYNXTHFM-SNVBAGLBSA-N 1 2 237.303 1.569 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(C)CC=CC2)[nH+]c1C ZINC000934425047 641142112 /nfs/dbraw/zinc/14/21/12/641142112.db2.gz IRFUPSVQCUJWRU-UHFFFAOYSA-N 1 2 233.315 1.999 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231278057 641152284 /nfs/dbraw/zinc/15/22/84/641152284.db2.gz HFCWTIBBPYOOEP-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231278057 641152292 /nfs/dbraw/zinc/15/22/92/641152292.db2.gz HFCWTIBBPYOOEP-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934475939 641167607 /nfs/dbraw/zinc/16/76/07/641167607.db2.gz RQWWQTMYYLUFEJ-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934475939 641167612 /nfs/dbraw/zinc/16/76/12/641167612.db2.gz RQWWQTMYYLUFEJ-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)n1 ZINC000934563586 641196879 /nfs/dbraw/zinc/19/68/79/641196879.db2.gz FERJJVTUCUSMSV-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)n1 ZINC000934563586 641196885 /nfs/dbraw/zinc/19/68/85/641196885.db2.gz FERJJVTUCUSMSV-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1nc(CC[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cs1 ZINC000934570754 641199028 /nfs/dbraw/zinc/19/90/28/641199028.db2.gz MHKSZUYTFOSXPB-WDEREUQCSA-N 1 2 244.335 1.399 20 0 BDADLO Cc1nc(CC[N@H+]2CC[C@@H](O)[C@@H](F)C2)cs1 ZINC000934570754 641199033 /nfs/dbraw/zinc/19/90/33/641199033.db2.gz MHKSZUYTFOSXPB-WDEREUQCSA-N 1 2 244.335 1.399 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934571746 641203801 /nfs/dbraw/zinc/20/38/01/641203801.db2.gz YEZAHJWJHGECKY-STQMWFEESA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000934571746 641203802 /nfs/dbraw/zinc/20/38/02/641203802.db2.gz YEZAHJWJHGECKY-STQMWFEESA-N 1 2 239.290 1.600 20 0 BDADLO C[C@H]([NH2+]Cc1ccno1)c1cncs1 ZINC000231884071 641210808 /nfs/dbraw/zinc/21/08/08/641210808.db2.gz GPWUQODARXSRDO-ZETCQYMHSA-N 1 2 209.274 1.982 20 0 BDADLO CCn1c[nH+]cc1CNc1cncnc1 ZINC000232085047 641237315 /nfs/dbraw/zinc/23/73/15/641237315.db2.gz LDVVERPTUJQHAO-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO CC[C@](C)(O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000934799653 641273819 /nfs/dbraw/zinc/27/38/19/641273819.db2.gz ZDHMVGCUDWUNQD-ZDUSSCGKSA-N 1 2 247.298 1.112 20 0 BDADLO Cc1cc(NC(=O)C2(C(C)C)COC2)c(C)c[nH+]1 ZINC000935015472 641319597 /nfs/dbraw/zinc/31/95/97/641319597.db2.gz KINFOLFVKPNBJS-UHFFFAOYSA-N 1 2 248.326 1.731 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1CF ZINC000929487482 641331854 /nfs/dbraw/zinc/33/18/54/641331854.db2.gz MAKCJPIFRWFHBY-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1CF ZINC000929487482 641331860 /nfs/dbraw/zinc/33/18/60/641331860.db2.gz MAKCJPIFRWFHBY-SNVBAGLBSA-N 1 2 236.290 1.476 20 0 BDADLO CCOC1CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000130095687 641353997 /nfs/dbraw/zinc/35/39/97/641353997.db2.gz ODJPHYDVKSFZQH-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCOC1CCN(c2cc(NC)nc[nH+]2)CC1 ZINC000130095687 641354002 /nfs/dbraw/zinc/35/40/02/641354002.db2.gz ODJPHYDVKSFZQH-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO O=C(NC1(CO)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935179603 641357051 /nfs/dbraw/zinc/35/70/51/641357051.db2.gz QMRSHQNWMTVODZ-UHFFFAOYSA-N 1 2 245.282 1.208 20 0 BDADLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000935189981 641360114 /nfs/dbraw/zinc/36/01/14/641360114.db2.gz QLKGPLKCRPHZAV-UFBFGSQYSA-N 1 2 245.282 1.016 20 0 BDADLO CC(=O)NC(C)(C)c1noc([C@H](C)[NH+](C)C)n1 ZINC000350577436 641362010 /nfs/dbraw/zinc/36/20/10/641362010.db2.gz PGUWQQNJIDIBET-ZETCQYMHSA-N 1 2 240.307 1.063 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001030815885 641366609 /nfs/dbraw/zinc/36/66/09/641366609.db2.gz YJQIOBHECZXLAK-SNVBAGLBSA-N 1 2 210.321 1.243 20 0 BDADLO C[C@@H](c1nc([C@H]2CCOC[C@@H]2C)no1)[NH+](C)C ZINC000350604460 641372567 /nfs/dbraw/zinc/37/25/67/641372567.db2.gz XNDWJOBFEUGBLX-GUBZILKMSA-N 1 2 239.319 1.832 20 0 BDADLO Cc1ccc(Cc2noc([C@H](C)[NH+](C)C)n2)cn1 ZINC000350609990 641372584 /nfs/dbraw/zinc/37/25/84/641372584.db2.gz XUKRFCOWZODSLB-JTQLQIEISA-N 1 2 246.314 1.986 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CC=CCC1 ZINC000935329285 641387799 /nfs/dbraw/zinc/38/77/99/641387799.db2.gz LDNKRWQTVOBURI-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001030871203 641392370 /nfs/dbraw/zinc/39/23/70/641392370.db2.gz AJBFTTXJDPGTNZ-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C)CCCCC2)C1 ZINC001030891153 641405360 /nfs/dbraw/zinc/40/53/60/641405360.db2.gz PYYWEPBLGGTJFJ-UHFFFAOYSA-N 1 2 224.348 1.777 20 0 BDADLO C[C@@H](c1nc([C@]2(C)CCCO2)no1)[NH+](C)C ZINC000350757918 641412076 /nfs/dbraw/zinc/41/20/76/641412076.db2.gz RYIKGZBJLYKJEE-KWQFWETISA-N 1 2 225.292 1.718 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C=CCC1 ZINC000935488766 641418414 /nfs/dbraw/zinc/41/84/14/641418414.db2.gz PVGJTRKKJYNYQY-BXUZGUMPSA-N 1 2 245.326 1.670 20 0 BDADLO CCc1nocc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030913745 641418366 /nfs/dbraw/zinc/41/83/66/641418366.db2.gz RJXUBRGXHVPGIE-UHFFFAOYSA-N 1 2 249.314 1.061 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030924782 641424811 /nfs/dbraw/zinc/42/48/11/641424811.db2.gz ZAKICLKRLGDZCC-ZYHUDNBSSA-N 1 2 242.338 1.583 20 0 BDADLO CC(C)C[C@H](C(=O)Nc1cn[nH]n1)n1cc[nH+]c1 ZINC000935595979 641439169 /nfs/dbraw/zinc/43/91/69/641439169.db2.gz ZFALCHQRYOUGGP-SECBINFHSA-N 1 2 248.290 1.227 20 0 BDADLO C[C@@H](CC(=O)N=S(C)(C)=O)n1cc[nH+]c1 ZINC000913639788 641442177 /nfs/dbraw/zinc/44/21/77/641442177.db2.gz UAPCKJNCBNWPEI-QMMMGPOBSA-N 1 2 229.305 1.088 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@]12C[C@H]1CCCC2 ZINC000913658585 641450706 /nfs/dbraw/zinc/45/07/06/641450706.db2.gz NMQBZJXRHPMKTR-BXUZGUMPSA-N 1 2 245.326 1.942 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCOC1 ZINC000935910117 641500054 /nfs/dbraw/zinc/50/00/54/641500054.db2.gz AYBKDVDZEHWAKV-UHFFFAOYSA-N 1 2 231.255 1.383 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000936024807 641519780 /nfs/dbraw/zinc/51/97/80/641519780.db2.gz RRZNTJATZTZGFT-WCFLWFBJSA-N 1 2 247.342 1.863 20 0 BDADLO Cn1c[nH+]c(CCNc2ccc(Cl)nn2)c1 ZINC000313358845 641559407 /nfs/dbraw/zinc/55/94/07/641559407.db2.gz UYUQNRJOXIGZTG-UHFFFAOYSA-N 1 2 237.694 1.518 20 0 BDADLO COc1nnc(C[N@H+](C)C[C@H]2CCOC2)s1 ZINC000929791675 641566786 /nfs/dbraw/zinc/56/67/86/641566786.db2.gz BLTPZDVWJKBGNB-MRVPVSSYSA-N 1 2 243.332 1.015 20 0 BDADLO COc1nnc(C[N@@H+](C)C[C@H]2CCOC2)s1 ZINC000929791675 641566790 /nfs/dbraw/zinc/56/67/90/641566790.db2.gz BLTPZDVWJKBGNB-MRVPVSSYSA-N 1 2 243.332 1.015 20 0 BDADLO CCCNc1cc(NC[C@@](C)(O)CC)nc[nH+]1 ZINC000156413465 641607266 /nfs/dbraw/zinc/60/72/66/641607266.db2.gz MVPCRDAWKRDODT-LBPRGKRZSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NC[C@@](C)(O)CC)[nH+]cn1 ZINC000156413465 641607269 /nfs/dbraw/zinc/60/72/69/641607269.db2.gz MVPCRDAWKRDODT-LBPRGKRZSA-N 1 2 238.335 1.871 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C=CCC1 ZINC000914286152 641632263 /nfs/dbraw/zinc/63/22/63/641632263.db2.gz WDMMPZYXSJQUBY-SNVBAGLBSA-N 1 2 219.288 1.343 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1(CC2CC2)CC1 ZINC000914343489 641643125 /nfs/dbraw/zinc/64/31/25/641643125.db2.gz WQKVTMVSFYRBKH-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000158830424 641652234 /nfs/dbraw/zinc/65/22/34/641652234.db2.gz LJGBPTUYKNOQCE-ZJUUUORDSA-N 1 2 244.335 1.230 20 0 BDADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000158830424 641652238 /nfs/dbraw/zinc/65/22/38/641652238.db2.gz LJGBPTUYKNOQCE-ZJUUUORDSA-N 1 2 244.335 1.230 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000159342624 641676586 /nfs/dbraw/zinc/67/65/86/641676586.db2.gz VCHRXRDBRYWYTI-SECBINFHSA-N 1 2 237.234 1.522 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(C)(C)F)CCC[N@@H+]1CCF ZINC000992975074 641689795 /nfs/dbraw/zinc/68/97/95/641689795.db2.gz YDNIVPAQQCTSBH-NXEZZACHSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(C)(C)F)CCC[N@H+]1CCF ZINC000992975074 641689800 /nfs/dbraw/zinc/68/98/00/641689800.db2.gz YDNIVPAQQCTSBH-NXEZZACHSA-N 1 2 248.317 1.673 20 0 BDADLO CC(C)OC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000730570099 641705719 /nfs/dbraw/zinc/70/57/19/641705719.db2.gz HZKUHWYSOOHMNH-LLVKDONJSA-N 1 2 227.304 1.191 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000188459466 641757177 /nfs/dbraw/zinc/75/71/77/641757177.db2.gz ACEDXIVQEQSQBP-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000188459466 641757178 /nfs/dbraw/zinc/75/71/78/641757178.db2.gz ACEDXIVQEQSQBP-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001031166049 641759062 /nfs/dbraw/zinc/75/90/62/641759062.db2.gz WANZWPCDHDNEKJ-UHFFFAOYSA-N 1 2 233.315 1.326 20 0 BDADLO CCC[N@H+](CCC(=O)CC)CC(=O)OCC ZINC000190201127 641850622 /nfs/dbraw/zinc/85/06/22/641850622.db2.gz NEJHEROPXRCXFZ-UHFFFAOYSA-N 1 2 229.320 1.631 20 0 BDADLO CCC[N@@H+](CCC(=O)CC)CC(=O)OCC ZINC000190201127 641850624 /nfs/dbraw/zinc/85/06/24/641850624.db2.gz NEJHEROPXRCXFZ-UHFFFAOYSA-N 1 2 229.320 1.631 20 0 BDADLO Cc1ccc2oc(=O)n(C[N@@H+](C)C3CC3)c2c1 ZINC000077569188 641865158 /nfs/dbraw/zinc/86/51/58/641865158.db2.gz KBYCITJFVVNPOF-UHFFFAOYSA-N 1 2 232.283 1.955 20 0 BDADLO Cc1ccc2oc(=O)n(C[N@H+](C)C3CC3)c2c1 ZINC000077569188 641865161 /nfs/dbraw/zinc/86/51/61/641865161.db2.gz KBYCITJFVVNPOF-UHFFFAOYSA-N 1 2 232.283 1.955 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1cnn(C)c1 ZINC000190465711 641868466 /nfs/dbraw/zinc/86/84/66/641868466.db2.gz JEEZVSIPQKTVHM-LLVKDONJSA-N 1 2 237.303 1.200 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1cnn(C)c1 ZINC000190465711 641868468 /nfs/dbraw/zinc/86/84/68/641868468.db2.gz JEEZVSIPQKTVHM-LLVKDONJSA-N 1 2 237.303 1.200 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1cnn(C)c1 ZINC000190465733 641868802 /nfs/dbraw/zinc/86/88/02/641868802.db2.gz JEEZVSIPQKTVHM-NSHDSACASA-N 1 2 237.303 1.200 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Oc1cnn(C)c1 ZINC000190465733 641868805 /nfs/dbraw/zinc/86/88/05/641868805.db2.gz JEEZVSIPQKTVHM-NSHDSACASA-N 1 2 237.303 1.200 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccccc2OC)C1 ZINC001031295858 641875126 /nfs/dbraw/zinc/87/51/26/641875126.db2.gz AJOJZHDRZLMVIO-UHFFFAOYSA-N 1 2 234.299 1.129 20 0 BDADLO CC[C@@H](CO)Sc1nc(N)cc(C)[nH+]1 ZINC000916175879 641912955 /nfs/dbraw/zinc/91/29/55/641912955.db2.gz BJQZDYMUQFGTFG-ZETCQYMHSA-N 1 2 213.306 1.230 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001031355865 641992301 /nfs/dbraw/zinc/99/23/01/641992301.db2.gz VJXYSZSISXZCHE-UHFFFAOYSA-N 1 2 240.253 1.399 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccn2C(C)C)C1 ZINC001031395637 642068067 /nfs/dbraw/zinc/06/80/67/642068067.db2.gz ILFJXGXHBFGSTI-UHFFFAOYSA-N 1 2 235.331 1.503 20 0 BDADLO Cc1cn[nH]c1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000917909088 642138078 /nfs/dbraw/zinc/13/80/78/642138078.db2.gz GHMMQMGJBYORQZ-JTQLQIEISA-N 1 2 241.360 1.282 20 0 BDADLO Cc1cn[nH]c1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000917909088 642138089 /nfs/dbraw/zinc/13/80/89/642138089.db2.gz GHMMQMGJBYORQZ-JTQLQIEISA-N 1 2 241.360 1.282 20 0 BDADLO CC(=O)OCCn1c[nH+]c(C(C)(C)C)c1 ZINC000918474201 642202217 /nfs/dbraw/zinc/20/22/17/642202217.db2.gz HGFJKKDNXYNRNV-UHFFFAOYSA-N 1 2 210.277 1.744 20 0 BDADLO CC(=O)NCC1C[NH+](Cc2nc(C)cs2)C1 ZINC001031502995 642235167 /nfs/dbraw/zinc/23/51/67/642235167.db2.gz RHAVMDMTPHKHPH-UHFFFAOYSA-N 1 2 239.344 1.019 20 0 BDADLO CO[C@@H](C)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154944579 642321431 /nfs/dbraw/zinc/32/14/31/642321431.db2.gz VZUFFTZRIGQNCK-NSHDSACASA-N 1 2 239.319 1.157 20 0 BDADLO C[N@H+](Cc1cnn(CCF)c1)Cc1cccnc1 ZINC000930090109 642371565 /nfs/dbraw/zinc/37/15/65/642371565.db2.gz MSSYBHWNUYDWGP-UHFFFAOYSA-N 1 2 248.305 1.880 20 0 BDADLO C[N@@H+](Cc1cnn(CCF)c1)Cc1cccnc1 ZINC000930090109 642371570 /nfs/dbraw/zinc/37/15/70/642371570.db2.gz MSSYBHWNUYDWGP-UHFFFAOYSA-N 1 2 248.305 1.880 20 0 BDADLO CCn1c[nH+]c2c1CCN(CCOC(F)F)C2 ZINC000933256781 642423638 /nfs/dbraw/zinc/42/36/38/642423638.db2.gz PTMNLLAJIWOTMQ-UHFFFAOYSA-N 1 2 245.273 1.500 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@H]1CC[C@H](C)O1)C2 ZINC000933254452 642425409 /nfs/dbraw/zinc/42/54/09/642425409.db2.gz PYLZPUVTQGXAPB-NWDGAFQWSA-N 1 2 249.358 1.829 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@H]1CC[C@H](C)O1)C2 ZINC000933254452 642425413 /nfs/dbraw/zinc/42/54/13/642425413.db2.gz PYLZPUVTQGXAPB-NWDGAFQWSA-N 1 2 249.358 1.829 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cnsn1)C2 ZINC000933255531 642425624 /nfs/dbraw/zinc/42/56/24/642425624.db2.gz KRTJKTDSCBIMKE-UHFFFAOYSA-N 1 2 249.343 1.313 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(F)F ZINC000175465130 642686154 /nfs/dbraw/zinc/68/61/54/642686154.db2.gz CAIXUVTVGYYUJH-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(F)F ZINC000175465130 642686160 /nfs/dbraw/zinc/68/61/60/642686160.db2.gz CAIXUVTVGYYUJH-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC[C@@H](Nc1cc(NC)[nH+]cn1)C(C)C ZINC000233762577 642692379 /nfs/dbraw/zinc/69/23/79/642692379.db2.gz IDSZAAGDURUNLU-SNVBAGLBSA-N 1 2 238.335 1.991 20 0 BDADLO CCOC[C@@H](Nc1cc(NC)nc[nH+]1)C(C)C ZINC000233762577 642692385 /nfs/dbraw/zinc/69/23/85/642692385.db2.gz IDSZAAGDURUNLU-SNVBAGLBSA-N 1 2 238.335 1.991 20 0 BDADLO CC(=O)N[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1C ZINC000964511970 642754274 /nfs/dbraw/zinc/75/42/74/642754274.db2.gz SWBSBMIZPIFGPJ-CABZTGNLSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1C ZINC000964511970 642754278 /nfs/dbraw/zinc/75/42/78/642754278.db2.gz SWBSBMIZPIFGPJ-CABZTGNLSA-N 1 2 237.303 1.021 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001009838963 642843651 /nfs/dbraw/zinc/84/36/51/642843651.db2.gz DSMBRRDKHSKFNO-HYYFJVDXSA-N 1 2 248.729 1.678 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001009838963 642843657 /nfs/dbraw/zinc/84/36/57/642843657.db2.gz DSMBRRDKHSKFNO-HYYFJVDXSA-N 1 2 248.729 1.678 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)C1CC1 ZINC000181636593 642890914 /nfs/dbraw/zinc/89/09/14/642890914.db2.gz IMZYCVCBBKMHIV-GHMZBOCLSA-N 1 2 241.331 1.296 20 0 BDADLO CC(C)[C@@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181632178 642891281 /nfs/dbraw/zinc/89/12/81/642891281.db2.gz WLCBATYHLBQILK-NWDGAFQWSA-N 1 2 243.347 1.542 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001015529838 642901434 /nfs/dbraw/zinc/90/14/34/642901434.db2.gz GTVHIFRKDPSVPZ-DGCLKSJQSA-N 1 2 240.322 1.503 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001015529838 642901444 /nfs/dbraw/zinc/90/14/44/642901444.db2.gz GTVHIFRKDPSVPZ-DGCLKSJQSA-N 1 2 240.322 1.503 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000069795334 642906415 /nfs/dbraw/zinc/90/64/15/642906415.db2.gz VHCOYLRHXYJDRC-SNVBAGLBSA-N 1 2 223.276 1.179 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000069795334 642906421 /nfs/dbraw/zinc/90/64/21/642906421.db2.gz VHCOYLRHXYJDRC-SNVBAGLBSA-N 1 2 223.276 1.179 20 0 BDADLO COCC[NH2+]Cc1nc(CC(C)C)no1 ZINC000070162350 642982937 /nfs/dbraw/zinc/98/29/37/642982937.db2.gz UESBZFKXNMDWHP-UHFFFAOYSA-N 1 2 213.281 1.004 20 0 BDADLO CC(=O)N[C@@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000969177997 643096041 /nfs/dbraw/zinc/09/60/41/643096041.db2.gz YOODGTFBBFXRAR-QMMMGPOBSA-N 1 2 239.344 1.100 20 0 BDADLO C[C@@H](NC(=O)c1ccco1)C1C[NH+](CCF)C1 ZINC000969215923 643111345 /nfs/dbraw/zinc/11/13/45/643111345.db2.gz MEFLSWULKRAYJI-SECBINFHSA-N 1 2 240.278 1.299 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]1C1CCCC1 ZINC000889416523 643170299 /nfs/dbraw/zinc/17/02/99/643170299.db2.gz XSUODMTUOBSGKW-LBPRGKRZSA-N 1 2 233.315 1.743 20 0 BDADLO CCC/C=C/C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000068122376 643190598 /nfs/dbraw/zinc/19/05/98/643190598.db2.gz IMISXVKFDQVMCG-BTDICHCPSA-N 1 2 240.347 1.180 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032091240 643246993 /nfs/dbraw/zinc/24/69/93/643246993.db2.gz LHMKDNJYZZLSDJ-YPMHNXCESA-N 1 2 242.338 1.440 20 0 BDADLO CC[C@H](C)N(OC)C(=O)CCc1c[nH]c[nH+]1 ZINC000287847663 643256389 /nfs/dbraw/zinc/25/63/89/643256389.db2.gz DDKNBMAUZLRYLS-VIFPVBQESA-N 1 2 225.292 1.531 20 0 BDADLO CC[C@H](C)N(OC)C(=O)CCc1c[nH+]c[nH]1 ZINC000287847663 643256396 /nfs/dbraw/zinc/25/63/96/643256396.db2.gz DDKNBMAUZLRYLS-VIFPVBQESA-N 1 2 225.292 1.531 20 0 BDADLO C/C=C/C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082275519 643291298 /nfs/dbraw/zinc/29/12/98/643291298.db2.gz JXZPHCKEYVFVFV-JRBALWBOSA-N 1 2 219.288 1.623 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000160273750 643335760 /nfs/dbraw/zinc/33/57/60/643335760.db2.gz IPTDJJCBFPYBCS-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160273750 643335764 /nfs/dbraw/zinc/33/57/64/643335764.db2.gz IPTDJJCBFPYBCS-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000890766630 643351311 /nfs/dbraw/zinc/35/13/11/643351311.db2.gz HUTARJWVORPYDZ-GHMZBOCLSA-N 1 2 233.315 1.813 20 0 BDADLO CC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000082644856 643361964 /nfs/dbraw/zinc/36/19/64/643361964.db2.gz WXIZCCZONYMKLP-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(C)o1 ZINC001032234515 643378685 /nfs/dbraw/zinc/37/86/85/643378685.db2.gz CSMXFEYARXSOKP-QWRGUYRKSA-N 1 2 249.314 1.178 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(C)o1 ZINC001032234515 643378691 /nfs/dbraw/zinc/37/86/91/643378691.db2.gz CSMXFEYARXSOKP-QWRGUYRKSA-N 1 2 249.314 1.178 20 0 BDADLO CCOCCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000082777025 643379036 /nfs/dbraw/zinc/37/90/36/643379036.db2.gz SNTMTEHMOVKJPI-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)C ZINC001032284439 643445299 /nfs/dbraw/zinc/44/52/99/643445299.db2.gz VOSQQYWQFFUUCH-SRVKXCTJSA-N 1 2 242.338 1.676 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)C ZINC001032284439 643445303 /nfs/dbraw/zinc/44/53/03/643445303.db2.gz VOSQQYWQFFUUCH-SRVKXCTJSA-N 1 2 242.338 1.676 20 0 BDADLO CCOC1CC[NH+](Cc2nonc2C)CC1 ZINC000733897817 643477541 /nfs/dbraw/zinc/47/75/41/643477541.db2.gz ONMOKURKKCAIPT-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO ClC1(Cl)C[C@H]1C[NH+]1CCOCC1 ZINC000307707411 643581889 /nfs/dbraw/zinc/58/18/89/643581889.db2.gz HIZVKUMJJIHANR-ZETCQYMHSA-N 1 2 210.104 1.512 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ncc[nH]2)cn1 ZINC000234209429 643591547 /nfs/dbraw/zinc/59/15/47/643591547.db2.gz TTXYILWLOYMYBE-VIFPVBQESA-N 1 2 219.292 1.477 20 0 BDADLO Cc1cc(C[NH2+]Cc2c3c(nn2C)CCC3)no1 ZINC000921591962 643613191 /nfs/dbraw/zinc/61/31/91/643613191.db2.gz NZFRYEDETNFFRK-UHFFFAOYSA-N 1 2 246.314 1.495 20 0 BDADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000970917148 643613574 /nfs/dbraw/zinc/61/35/74/643613574.db2.gz WSSRGDFGNDHSSQ-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000970917148 643613577 /nfs/dbraw/zinc/61/35/77/643613577.db2.gz WSSRGDFGNDHSSQ-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC000970921050 643619688 /nfs/dbraw/zinc/61/96/88/643619688.db2.gz OECWOELFKWXINZ-PWSUYJOCSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC000970921050 643619695 /nfs/dbraw/zinc/61/96/95/643619695.db2.gz OECWOELFKWXINZ-PWSUYJOCSA-N 1 2 248.330 1.090 20 0 BDADLO C[C@@H](CC(=O)NOCCC1CC1)n1cc[nH+]c1 ZINC000846219180 643648419 /nfs/dbraw/zinc/64/84/19/643648419.db2.gz JJUMXCZQOOUUMD-JTQLQIEISA-N 1 2 237.303 1.682 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922180520 643895499 /nfs/dbraw/zinc/89/54/99/643895499.db2.gz DCYYFSAKTYIGRO-CBAPKCEASA-N 1 2 206.245 1.363 20 0 BDADLO COCCCCC(=O)OCc1ccc[nH+]c1N ZINC000922398916 643985881 /nfs/dbraw/zinc/98/58/81/643985881.db2.gz HJTFTRCTMOHNKT-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO CO[C@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922401555 643989256 /nfs/dbraw/zinc/98/92/56/643989256.db2.gz GKVOZOKOOOYOJK-MRVPVSSYSA-N 1 2 224.260 1.132 20 0 BDADLO CCC[C@H](O)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922462707 643998164 /nfs/dbraw/zinc/99/81/64/643998164.db2.gz KFBBDIGTUQIUGU-JTQLQIEISA-N 1 2 238.287 1.258 20 0 BDADLO CN(C)Cc1csc(C[NH2+]CC2(F)CC2)n1 ZINC000922488129 644002417 /nfs/dbraw/zinc/00/24/17/644002417.db2.gz CJUZXUKZEXOKOK-UHFFFAOYSA-N 1 2 243.351 1.796 20 0 BDADLO COC[C@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922522223 644012903 /nfs/dbraw/zinc/01/29/03/644012903.db2.gz RULVGAADKVWRGY-SECBINFHSA-N 1 2 238.287 1.380 20 0 BDADLO CC1(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922528730 644017373 /nfs/dbraw/zinc/01/73/73/644017373.db2.gz CVRXLGQYXBMGBZ-UHFFFAOYSA-N 1 2 206.245 1.507 20 0 BDADLO COCC(C)(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922561907 644021190 /nfs/dbraw/zinc/02/11/90/644021190.db2.gz XMFKPALDOJWPMZ-UHFFFAOYSA-N 1 2 238.287 1.380 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922582879 644034037 /nfs/dbraw/zinc/03/40/37/644034037.db2.gz OIBOBLDFWSDFCK-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Cn1ncnc1C[NH2+]C(C)(C)/C=C/Cl ZINC000922644414 644049405 /nfs/dbraw/zinc/04/94/05/644049405.db2.gz HTYLMNRQOIEEIV-SNAWJCMRSA-N 1 2 214.700 1.436 20 0 BDADLO Cn1ncc(C[NH2+]C(C)(C)/C=C\Cl)n1 ZINC000922647870 644052876 /nfs/dbraw/zinc/05/28/76/644052876.db2.gz DANWVHFSDCRRKA-PLNGDYQASA-N 1 2 214.700 1.436 20 0 BDADLO CO[C@H](C(=O)OCc1ccc(N)[nH+]c1)C1CC1 ZINC000922684592 644066965 /nfs/dbraw/zinc/06/69/65/644066965.db2.gz PXAXNONCIXSKPF-NSHDSACASA-N 1 2 236.271 1.132 20 0 BDADLO Nc1ccc(COC(=O)/C=C/[C@H]2CCOC2)c[nH+]1 ZINC000922777516 644092359 /nfs/dbraw/zinc/09/23/59/644092359.db2.gz UGMDVMOUZVKYON-YWNRKNDBSA-N 1 2 248.282 1.300 20 0 BDADLO CCC[C@@H](O)CC[NH2+]Cc1cn[nH]c1C ZINC000922825598 644102376 /nfs/dbraw/zinc/10/23/76/644102376.db2.gz RBUDKEGXCNRVQL-LLVKDONJSA-N 1 2 211.309 1.359 20 0 BDADLO CCC[C@H](O)CC[NH2+]Cc1cn[nH]c1C ZINC000922825599 644103189 /nfs/dbraw/zinc/10/31/89/644103189.db2.gz RBUDKEGXCNRVQL-NSHDSACASA-N 1 2 211.309 1.359 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C/[C@@H]1CCCO1 ZINC000922816363 644107393 /nfs/dbraw/zinc/10/73/93/644107393.db2.gz OMOXQXHNWPZWQH-QRGHLMKCSA-N 1 2 248.282 1.442 20 0 BDADLO Cc1nc(N2CCCCCCCC2)nc(N)[nH+]1 ZINC000321592590 644138454 /nfs/dbraw/zinc/13/84/54/644138454.db2.gz PSPJZWTUADTAFM-UHFFFAOYSA-N 1 2 235.335 1.923 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922940470 644194028 /nfs/dbraw/zinc/19/40/28/644194028.db2.gz BMBWQJKIYDUNLA-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cc(C3CC3)nn2C)o1 ZINC000922947030 644197783 /nfs/dbraw/zinc/19/77/83/644197783.db2.gz ITUNVRPJXWMVJT-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO Cc1[nH]c(CNCc2cncc(O)c2)[nH+]c1C ZINC000922975512 644206199 /nfs/dbraw/zinc/20/61/99/644206199.db2.gz HEDFXRRSNSDXLA-UHFFFAOYSA-N 1 2 232.287 1.417 20 0 BDADLO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000922988994 644216514 /nfs/dbraw/zinc/21/65/14/644216514.db2.gz BAXPLEJCZKSGRR-KGLIPLIRSA-N 1 2 243.310 1.548 20 0 BDADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000923061837 644253195 /nfs/dbraw/zinc/25/31/95/644253195.db2.gz YLSWZYWWKKOSLT-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)C1(C2CC2)CC1 ZINC001014847154 644292160 /nfs/dbraw/zinc/29/21/60/644292160.db2.gz IDHSBNVTJGJKFN-LLVKDONJSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)C1(C2CC2)CC1 ZINC001014847154 644292167 /nfs/dbraw/zinc/29/21/67/644292167.db2.gz IDHSBNVTJGJKFN-LLVKDONJSA-N 1 2 240.322 1.337 20 0 BDADLO C/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000082255078 644358192 /nfs/dbraw/zinc/35/81/92/644358192.db2.gz KAWAYJYLJSPYMJ-GORDUTHDSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCCNC1=O ZINC000766846655 644671529 /nfs/dbraw/zinc/67/15/29/644671529.db2.gz ZFNPRZGOVHTEDN-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)[C@H]1CCCNC1=O ZINC000766846655 644671534 /nfs/dbraw/zinc/67/15/34/644671534.db2.gz ZFNPRZGOVHTEDN-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303799130 644848090 /nfs/dbraw/zinc/84/80/90/644848090.db2.gz ZGUQUBSMVIBRKR-NSHDSACASA-N 1 2 243.347 1.423 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303799130 644848093 /nfs/dbraw/zinc/84/80/93/644848093.db2.gz ZGUQUBSMVIBRKR-NSHDSACASA-N 1 2 243.347 1.423 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CN1C(=O)CCC1(C)C ZINC000808138087 644873788 /nfs/dbraw/zinc/87/37/88/644873788.db2.gz HOMYWPKOOXADHS-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CN1C(=O)CCC1(C)C ZINC000808138087 644873795 /nfs/dbraw/zinc/87/37/95/644873795.db2.gz HOMYWPKOOXADHS-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO Cc1nc(NC[C@@H](C)C(C)(C)C)nc(N)[nH+]1 ZINC000304534382 644913823 /nfs/dbraw/zinc/91/38/23/644913823.db2.gz UTQCYADMRSIRMZ-SSDOTTSWSA-N 1 2 223.324 1.856 20 0 BDADLO Cc1nc(N)nc(NC[C@@H](C)C(C)(C)C)[nH+]1 ZINC000304534382 644913829 /nfs/dbraw/zinc/91/38/29/644913829.db2.gz UTQCYADMRSIRMZ-SSDOTTSWSA-N 1 2 223.324 1.856 20 0 BDADLO Cc1csc(C[NH+]2CC3(C2)CCOC3)n1 ZINC000816669381 644965582 /nfs/dbraw/zinc/96/55/82/644965582.db2.gz PRAWKYFUQRJYMK-UHFFFAOYSA-N 1 2 224.329 1.674 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(F)=C1CCC1 ZINC000819111722 645004567 /nfs/dbraw/zinc/00/45/67/645004567.db2.gz UBLRQJHQAAAPNC-VIFPVBQESA-N 1 2 237.278 1.795 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000827125809 645073877 /nfs/dbraw/zinc/07/38/77/645073877.db2.gz RPHXTKPMCXHQRQ-LBPRGKRZSA-N 1 2 241.310 1.987 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000828103202 645096762 /nfs/dbraw/zinc/09/67/62/645096762.db2.gz CZKQDYNEYGEEGQ-ZJUUUORDSA-N 1 2 218.304 1.287 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000828103202 645096766 /nfs/dbraw/zinc/09/67/66/645096766.db2.gz CZKQDYNEYGEEGQ-ZJUUUORDSA-N 1 2 218.304 1.287 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(F)(F)CC1 ZINC000834856826 645150410 /nfs/dbraw/zinc/15/04/10/645150410.db2.gz FSQXFOCZTSKWGG-UHFFFAOYSA-N 1 2 229.230 1.210 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CCO)c(C)c1 ZINC000842040806 645236942 /nfs/dbraw/zinc/23/69/42/645236942.db2.gz MVCOYYQJMYUVHD-UHFFFAOYSA-N 1 2 222.288 1.684 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@](C)(O)c1ccccc1 ZINC000846039277 645392318 /nfs/dbraw/zinc/39/23/18/645392318.db2.gz QLPRVROHQASLQM-BXUZGUMPSA-N 1 2 245.326 1.796 20 0 BDADLO CCn1ncc(C[N@H+](CC)[C@@H]2CCCOC2)n1 ZINC000846053200 645395422 /nfs/dbraw/zinc/39/54/22/645395422.db2.gz SWJHVAAANYIVSS-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+](CC)[C@@H]2CCCOC2)n1 ZINC000846053200 645395426 /nfs/dbraw/zinc/39/54/26/645395426.db2.gz SWJHVAAANYIVSS-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@H]([NH2+]CC(C)(C)F)c1cc(CO)on1 ZINC000926778127 645425213 /nfs/dbraw/zinc/42/52/13/645425213.db2.gz BJNAXLSHMXSVGY-SSDOTTSWSA-N 1 2 216.256 1.566 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000852204076 645472734 /nfs/dbraw/zinc/47/27/34/645472734.db2.gz KJNMLDIFYUTYGT-SNVBAGLBSA-N 1 2 211.265 1.069 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000852204076 645472747 /nfs/dbraw/zinc/47/27/47/645472747.db2.gz KJNMLDIFYUTYGT-SNVBAGLBSA-N 1 2 211.265 1.069 20 0 BDADLO CC(C)n1cc([C@@H](C)NC[C@H]2CC[N@@H+]2C)nn1 ZINC000926895188 645479092 /nfs/dbraw/zinc/47/90/92/645479092.db2.gz UHASQRDCIYSNMA-GHMZBOCLSA-N 1 2 237.351 1.214 20 0 BDADLO CC(C)n1cc([C@@H](C)NC[C@H]2CC[N@H+]2C)nn1 ZINC000926895188 645479098 /nfs/dbraw/zinc/47/90/98/645479098.db2.gz UHASQRDCIYSNMA-GHMZBOCLSA-N 1 2 237.351 1.214 20 0 BDADLO C[N@H+](CN1CCC1=O)C[C@](C)(O)c1ccccc1 ZINC000857237183 645540971 /nfs/dbraw/zinc/54/09/71/645540971.db2.gz QIMIBLNGLZUKJY-AWEZNQCLSA-N 1 2 248.326 1.016 20 0 BDADLO C[N@@H+](CN1CCC1=O)C[C@](C)(O)c1ccccc1 ZINC000857237183 645540978 /nfs/dbraw/zinc/54/09/78/645540978.db2.gz QIMIBLNGLZUKJY-AWEZNQCLSA-N 1 2 248.326 1.016 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000930260340 645554973 /nfs/dbraw/zinc/55/49/73/645554973.db2.gz LJODGNXQYWPRFO-FFHRKCOQSA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C/C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000930260340 645554978 /nfs/dbraw/zinc/55/49/78/645554978.db2.gz LJODGNXQYWPRFO-FFHRKCOQSA-N 1 2 245.388 1.422 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927429682 645609519 /nfs/dbraw/zinc/60/95/19/645609519.db2.gz MHPCRVNDVLBQCW-WCQYABFASA-N 1 2 233.315 1.580 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(F)nn1 ZINC000857692456 645648151 /nfs/dbraw/zinc/64/81/51/645648151.db2.gz SOTDWPWIYUSPNV-UHFFFAOYSA-N 1 2 249.249 1.231 20 0 BDADLO CC(C)(C)/C=C/C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777590 645651306 /nfs/dbraw/zinc/65/13/06/645651306.db2.gz BRRWSCAOOPZEBZ-VOTSOKGWSA-N 1 2 233.315 1.882 20 0 BDADLO C[C@H]1C[C@@H](C(=O)NCc2ccc(N)[nH+]c2)CCO1 ZINC000927776883 645655336 /nfs/dbraw/zinc/65/53/36/645655336.db2.gz OMVWTXIAANBSSH-ONGXEEELSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000928036791 645678989 /nfs/dbraw/zinc/67/89/89/645678989.db2.gz RCGOVQWEYQHUPV-ZZLGJBLRSA-N 1 2 245.326 1.674 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000928036791 645678994 /nfs/dbraw/zinc/67/89/94/645678994.db2.gz RCGOVQWEYQHUPV-ZZLGJBLRSA-N 1 2 245.326 1.674 20 0 BDADLO C[C@@H]1C[C@H](C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000928185899 645707202 /nfs/dbraw/zinc/70/72/02/645707202.db2.gz PNLKAUHRJBWODG-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491886 645818046 /nfs/dbraw/zinc/81/80/46/645818046.db2.gz VHKIVVJNNGSLSU-JTQLQIEISA-N 1 2 248.330 1.265 20 0 BDADLO C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000878491886 645818049 /nfs/dbraw/zinc/81/80/49/645818049.db2.gz VHKIVVJNNGSLSU-JTQLQIEISA-N 1 2 248.330 1.265 20 0 BDADLO CC(=O)CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928560461 645818478 /nfs/dbraw/zinc/81/84/78/645818478.db2.gz WDTJWARXFBJQTK-LLVKDONJSA-N 1 2 240.347 1.202 20 0 BDADLO CC(=O)CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928560461 645818482 /nfs/dbraw/zinc/81/84/82/645818482.db2.gz WDTJWARXFBJQTK-LLVKDONJSA-N 1 2 240.347 1.202 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ncco1 ZINC000925495803 645933495 /nfs/dbraw/zinc/93/34/95/645933495.db2.gz WPJAQCQEYMFDMZ-RKDXNWHRSA-N 1 2 235.287 1.089 20 0 BDADLO CC[C@@](C)(OC)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000924074754 645976195 /nfs/dbraw/zinc/97/61/95/645976195.db2.gz GUEGHBNVNHRZLD-LDYMZIIASA-N 1 2 227.308 1.964 20 0 BDADLO C[C@@H](c1nc(CCCF)no1)[NH+](C)C ZINC000924093840 645978208 /nfs/dbraw/zinc/97/82/08/645978208.db2.gz XHZRVTQHWRLNBQ-ZETCQYMHSA-N 1 2 201.245 1.594 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000929182732 645990758 /nfs/dbraw/zinc/99/07/58/645990758.db2.gz PLTMTHKEQDKEAS-DTGHLQKHSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000929182732 645990766 /nfs/dbraw/zinc/99/07/66/645990766.db2.gz PLTMTHKEQDKEAS-DTGHLQKHSA-N 1 2 227.304 1.215 20 0 BDADLO C[C@H](c1nc(-c2ccc[nH]c2=O)no1)[NH+](C)C ZINC000924164692 646000735 /nfs/dbraw/zinc/00/07/35/646000735.db2.gz CVBGWNRSKYXDMY-SSDOTTSWSA-N 1 2 234.259 1.460 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)nnc2C)CCO1 ZINC000929256935 646040333 /nfs/dbraw/zinc/04/03/33/646040333.db2.gz IKOLBPVAMCKAEQ-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)nnc2C)CCO1 ZINC000929256935 646040339 /nfs/dbraw/zinc/04/03/39/646040339.db2.gz IKOLBPVAMCKAEQ-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cnn(C)n1 ZINC000924901614 646128267 /nfs/dbraw/zinc/12/82/67/646128267.db2.gz ZPQQGQXWUMYYKD-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000925213400 646212119 /nfs/dbraw/zinc/21/21/19/646212119.db2.gz ZMZGPMOQNCGSOJ-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccns1 ZINC000925235490 646217208 /nfs/dbraw/zinc/21/72/08/646217208.db2.gz HGOXBNCSSGESLM-IUCAKERBSA-N 1 2 249.343 1.920 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H]1CCC2(COC2)O1 ZINC000929694975 646250424 /nfs/dbraw/zinc/25/04/24/646250424.db2.gz DSOMLLDGYQNHGA-NSHDSACASA-N 1 2 238.287 1.054 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H]1CCC2(COC2)O1 ZINC000929694975 646250429 /nfs/dbraw/zinc/25/04/29/646250429.db2.gz DSOMLLDGYQNHGA-NSHDSACASA-N 1 2 238.287 1.054 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2c(F)cncc2F)C1 ZINC000929697359 646253177 /nfs/dbraw/zinc/25/31/77/646253177.db2.gz SNLRRIODALZKAB-QMMMGPOBSA-N 1 2 228.242 1.174 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000929697359 646253183 /nfs/dbraw/zinc/25/31/83/646253183.db2.gz SNLRRIODALZKAB-QMMMGPOBSA-N 1 2 228.242 1.174 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(C(C)C)ns1 ZINC000929753232 646283001 /nfs/dbraw/zinc/28/30/01/646283001.db2.gz XDAGAWMOXWCWJH-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(C(C)C)ns1 ZINC000929753232 646283004 /nfs/dbraw/zinc/28/30/04/646283004.db2.gz XDAGAWMOXWCWJH-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO FCCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000929759908 646290740 /nfs/dbraw/zinc/29/07/40/646290740.db2.gz TVUKJBRYKUNXNW-TXEJJXNPSA-N 1 2 239.294 1.216 20 0 BDADLO FCCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000929759908 646290744 /nfs/dbraw/zinc/29/07/44/646290744.db2.gz TVUKJBRYKUNXNW-TXEJJXNPSA-N 1 2 239.294 1.216 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759536 646290848 /nfs/dbraw/zinc/29/08/48/646290848.db2.gz PCSWMMGWMPGXGC-WYUUTHIRSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759536 646290849 /nfs/dbraw/zinc/29/08/49/646290849.db2.gz PCSWMMGWMPGXGC-WYUUTHIRSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@H](CO)[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000929760411 646295322 /nfs/dbraw/zinc/29/53/22/646295322.db2.gz BOICJNASJJISNB-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](CO)[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000929760411 646295325 /nfs/dbraw/zinc/29/53/25/646295325.db2.gz BOICJNASJJISNB-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO C[N@H+](CCOC1CC1)Cc1nccs1 ZINC000929768609 646298074 /nfs/dbraw/zinc/29/80/74/646298074.db2.gz MTGHXKNCAMYMGK-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO C[N@@H+](CCOC1CC1)Cc1nccs1 ZINC000929768609 646298076 /nfs/dbraw/zinc/29/80/76/646298076.db2.gz MTGHXKNCAMYMGK-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC000929788503 646318392 /nfs/dbraw/zinc/31/83/92/646318392.db2.gz NRPCLFDFVSRVJE-LLVKDONJSA-N 1 2 228.242 1.317 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000929788503 646318399 /nfs/dbraw/zinc/31/83/99/646318399.db2.gz NRPCLFDFVSRVJE-LLVKDONJSA-N 1 2 228.242 1.317 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)s1 ZINC000929825928 646341475 /nfs/dbraw/zinc/34/14/75/646341475.db2.gz MXNRAZCPTOEALS-SNVBAGLBSA-N 1 2 225.317 1.151 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@]3(CCOC3)C2)s1 ZINC000929825928 646341479 /nfs/dbraw/zinc/34/14/79/646341479.db2.gz MXNRAZCPTOEALS-SNVBAGLBSA-N 1 2 225.317 1.151 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+]Cc1ncccc1F ZINC000925598829 646350371 /nfs/dbraw/zinc/35/03/71/646350371.db2.gz MRZGNHGZFSWNNF-LLVKDONJSA-N 1 2 240.278 1.462 20 0 BDADLO CSC[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC000929853211 646360583 /nfs/dbraw/zinc/36/05/83/646360583.db2.gz GCCGVWXFUFMHIH-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO CSC[C@H]1CCC[N@H+]1Cc1nncs1 ZINC000929853211 646360588 /nfs/dbraw/zinc/36/05/88/646360588.db2.gz GCCGVWXFUFMHIH-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO CCc1ncc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000930014200 646393712 /nfs/dbraw/zinc/39/37/12/646393712.db2.gz QFNSXIJOMYLFGB-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCc1ncc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000930014200 646393719 /nfs/dbraw/zinc/39/37/19/646393719.db2.gz QFNSXIJOMYLFGB-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO C[C@H]1COC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000926006152 646555423 /nfs/dbraw/zinc/55/54/23/646555423.db2.gz AUGWTPNYJTXUCF-DTWKUNHWSA-N 1 2 239.319 1.492 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccc(Cl)nc1)C(F)F ZINC000724743132 711610519 /nfs/dbraw/zinc/61/05/19/711610519.db2.gz WHAQCQMFJBHCFX-ZCFIWIBFSA-N 1 2 249.648 1.656 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[C@@H]([NH3+])C(F)F ZINC000724751242 711610537 /nfs/dbraw/zinc/61/05/37/711610537.db2.gz JIENOWDQDISUDW-HRDYMLBCSA-N 1 2 234.290 1.758 20 0 BDADLO Cc1[nH]c(CN(C)C[C@H]2CCCO2)c(C)[nH+]1 ZINC000724775986 711613040 /nfs/dbraw/zinc/61/30/40/711613040.db2.gz QZJGZPZCNXUHHL-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CCn1cnnc1NCc1c[nH+]cn1CC ZINC000922661519 711975236 /nfs/dbraw/zinc/97/52/36/711975236.db2.gz MIQVMLRXNBVJPW-UHFFFAOYSA-N 1 2 220.280 1.127 20 0 BDADLO Cc1ncc(CSc2nc(N)cc(C)[nH+]2)o1 ZINC000701858545 712031470 /nfs/dbraw/zinc/03/14/70/712031470.db2.gz MOQCESDSTUUVHA-UHFFFAOYSA-N 1 2 236.300 1.956 20 0 BDADLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000711302008 712293537 /nfs/dbraw/zinc/29/35/37/712293537.db2.gz KWBDUJYJEBELRD-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000711302008 712293539 /nfs/dbraw/zinc/29/35/39/712293539.db2.gz KWBDUJYJEBELRD-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1nc(CNC[C@H]2CC[N@H+]2C)cs1 ZINC000712600621 712437034 /nfs/dbraw/zinc/43/70/34/712437034.db2.gz OSZICUYPHFAFGY-SNVBAGLBSA-N 1 2 211.334 1.245 20 0 BDADLO Cc1nc(CNC[C@H]2CC[N@@H+]2C)cs1 ZINC000712600621 712437035 /nfs/dbraw/zinc/43/70/35/712437035.db2.gz OSZICUYPHFAFGY-SNVBAGLBSA-N 1 2 211.334 1.245 20 0 BDADLO Cc1nc([C@@H](C)NC[C@H]2CC[N@@H+]2C)cs1 ZINC000712535799 712442564 /nfs/dbraw/zinc/44/25/64/712442564.db2.gz WRMTXFGXTAWHNZ-PSASIEDQSA-N 1 2 225.361 1.806 20 0 BDADLO Cc1nc([C@@H](C)NC[C@H]2CC[N@H+]2C)cs1 ZINC000712535799 712442566 /nfs/dbraw/zinc/44/25/66/712442566.db2.gz WRMTXFGXTAWHNZ-PSASIEDQSA-N 1 2 225.361 1.806 20 0 BDADLO C=C/C=C/CCNC(=O)Cn1cc[nH+]c1 ZINC000713469027 712461344 /nfs/dbraw/zinc/46/13/44/712461344.db2.gz WUAZHXYHOSZYLS-ONEGZZNKSA-N 1 2 205.261 1.132 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713562571 712464886 /nfs/dbraw/zinc/46/48/86/712464886.db2.gz UTBOFTHIZWGBGS-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713562571 712464887 /nfs/dbraw/zinc/46/48/87/712464887.db2.gz UTBOFTHIZWGBGS-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)OC ZINC000714336096 712482622 /nfs/dbraw/zinc/48/26/22/712482622.db2.gz AWKRTFAJBKLTSE-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1nn(C)c(C[N@H+]2C[C@H](O)C[C@H]2C)c1Cl ZINC000384928004 712705537 /nfs/dbraw/zinc/70/55/37/712705537.db2.gz GZHYKGIRJZQRQQ-VXNVDRBHSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1Cl ZINC000384928004 712705540 /nfs/dbraw/zinc/70/55/40/712705540.db2.gz GZHYKGIRJZQRQQ-VXNVDRBHSA-N 1 2 243.738 1.337 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142081 712713481 /nfs/dbraw/zinc/71/34/81/712713481.db2.gz KQJJRKKLABUCGL-UWVGGRQHSA-N 1 2 224.308 1.103 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142081 712713483 /nfs/dbraw/zinc/71/34/83/712713483.db2.gz KQJJRKKLABUCGL-UWVGGRQHSA-N 1 2 224.308 1.103 20 0 BDADLO CCCCCCNC(=O)C[NH+]1CCSCC1 ZINC000047986852 712723110 /nfs/dbraw/zinc/72/31/10/712723110.db2.gz CLYVKYFOMRXUOE-UHFFFAOYSA-N 1 2 244.404 1.732 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)co2)C1 ZINC000718570777 712775007 /nfs/dbraw/zinc/77/50/07/712775007.db2.gz YQJOOXSLNMHIJW-UHFFFAOYSA-N 1 2 208.261 1.022 20 0 BDADLO CO[C@@]1(CNc2cc[nH+]cc2F)CCSC1 ZINC000719312508 712804094 /nfs/dbraw/zinc/80/40/94/712804094.db2.gz AOPOYDXJMAVNOV-LLVKDONJSA-N 1 2 242.319 1.577 20 0 BDADLO CC1([NH2+]Cc2csnn2)CC(F)(F)C1 ZINC000720923290 712879039 /nfs/dbraw/zinc/87/90/39/712879039.db2.gz NBKLHRIDNVRBCI-UHFFFAOYSA-N 1 2 219.260 1.816 20 0 BDADLO Cn1nncc1C[NH2+]Cc1cccnc1Cl ZINC000381496044 710646632 /nfs/dbraw/zinc/64/66/32/710646632.db2.gz MLYGESAQCZZMFW-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO CC(=O)N1CCC(C)(Nc2cc[nH+]c(C)n2)CC1 ZINC001067228365 710665876 /nfs/dbraw/zinc/66/58/76/710665876.db2.gz TYYIQLBLUSNCIF-UHFFFAOYSA-N 1 2 248.330 1.598 20 0 BDADLO CNc1cc(N2CC[C@@](C)(COC)C2)nc[nH+]1 ZINC000381694565 710670533 /nfs/dbraw/zinc/67/05/33/710670533.db2.gz GAJNAEAJWFKPCH-GFCCVEGCSA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N2CC[C@@](C)(COC)C2)[nH+]cn1 ZINC000381694565 710670535 /nfs/dbraw/zinc/67/05/35/710670535.db2.gz GAJNAEAJWFKPCH-GFCCVEGCSA-N 1 2 236.319 1.381 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000380372166 712900246 /nfs/dbraw/zinc/90/02/46/712900246.db2.gz BNKLDNXXNUUUHU-DESOLJLISA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000380372166 712900247 /nfs/dbraw/zinc/90/02/47/712900247.db2.gz BNKLDNXXNUUUHU-DESOLJLISA-N 1 2 227.304 1.215 20 0 BDADLO CCN1CCC[C@@H](Nc2cccc[nH+]2)C1=O ZINC000722359445 710708808 /nfs/dbraw/zinc/70/88/08/710708808.db2.gz YDIFSFWWRDIMQO-SNVBAGLBSA-N 1 2 219.288 1.504 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723611896 710728664 /nfs/dbraw/zinc/72/86/64/710728664.db2.gz ZCUUVZPSIKEFJJ-OUAUKWLOSA-N 1 2 236.319 1.100 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723611896 710728667 /nfs/dbraw/zinc/72/86/67/710728667.db2.gz ZCUUVZPSIKEFJJ-OUAUKWLOSA-N 1 2 236.319 1.100 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccc(F)nc1)C(F)F ZINC000724698992 710746803 /nfs/dbraw/zinc/74/68/03/710746803.db2.gz GREBGSBTZBTTRC-LURJTMIESA-N 1 2 233.193 1.142 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CC12CC(O)C2 ZINC000724971344 710751622 /nfs/dbraw/zinc/75/16/22/710751622.db2.gz NJTKJZASXXAYRN-BSTRBVHOSA-N 1 2 220.272 1.416 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)C(C)C)C1 ZINC001042486716 710788046 /nfs/dbraw/zinc/78/80/46/710788046.db2.gz CUFRSBRMEFHCFW-UHFFFAOYSA-N 1 2 224.348 1.751 20 0 BDADLO CCC(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001042388872 710778392 /nfs/dbraw/zinc/77/83/92/710778392.db2.gz YVNXDDPRIOUKBG-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cccs2)C1 ZINC001042430915 710783448 /nfs/dbraw/zinc/78/34/48/710783448.db2.gz ZZGXUQGBPIAKDZ-UHFFFAOYSA-N 1 2 224.329 1.524 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cnccc2C)C1 ZINC001042567886 710792837 /nfs/dbraw/zinc/79/28/37/710792837.db2.gz OPZSNKNBJOLUIX-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)co2)C1 ZINC001043588698 710810931 /nfs/dbraw/zinc/81/09/31/710810931.db2.gz HNBGHTPJSINJBI-UHFFFAOYSA-N 1 2 222.288 1.364 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001043666967 710811579 /nfs/dbraw/zinc/81/15/79/710811579.db2.gz YELIOPQHFRHBHO-UHFFFAOYSA-N 1 2 248.326 1.933 20 0 BDADLO CC(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001051830795 710958664 /nfs/dbraw/zinc/95/86/64/710958664.db2.gz DEVNGGPUUUBXNP-UHFFFAOYSA-N 1 2 234.303 1.112 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001068749979 711024573 /nfs/dbraw/zinc/02/45/73/711024573.db2.gz NWTRCCFARXIYOK-KCJUWKMLSA-N 1 2 234.303 1.206 20 0 BDADLO CC[C@@H](Nc1cc(NC)[nH+]cn1)[C@@H](C)O ZINC000386768089 711036051 /nfs/dbraw/zinc/03/60/51/711036051.db2.gz JVIGZJKCXBPXQP-HTQZYQBOSA-N 1 2 210.281 1.090 20 0 BDADLO CC[C@@H](Nc1cc(NC)nc[nH+]1)[C@@H](C)O ZINC000386768089 711036054 /nfs/dbraw/zinc/03/60/54/711036054.db2.gz JVIGZJKCXBPXQP-HTQZYQBOSA-N 1 2 210.281 1.090 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)[C@@H](C)O ZINC000386898391 711038165 /nfs/dbraw/zinc/03/81/65/711038165.db2.gz LKGIGOMMMWNIAN-AEJSXWLSSA-N 1 2 231.336 1.466 20 0 BDADLO CC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001069441576 711042553 /nfs/dbraw/zinc/04/25/53/711042553.db2.gz BEWAUQCWWGGWBK-NWDGAFQWSA-N 1 2 248.330 1.502 20 0 BDADLO CNc1cc(N[C@H](C)[C@@H](OC)C2CC2)nc[nH+]1 ZINC000388294121 711057285 /nfs/dbraw/zinc/05/72/85/711057285.db2.gz YQVOLXBSMDVVMP-PRHODGIISA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@H](C)[C@@H](OC)C2CC2)[nH+]cn1 ZINC000388294121 711057290 /nfs/dbraw/zinc/05/72/90/711057290.db2.gz YQVOLXBSMDVVMP-PRHODGIISA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@H](C)[C@@H]2CCCOC2)[nH+]cn1 ZINC000388952198 711070628 /nfs/dbraw/zinc/07/06/28/711070628.db2.gz AFPMFPQHFMNFBO-NXEZZACHSA-N 1 2 236.319 1.745 20 0 BDADLO CC1(C)C[N@H+](C/C=C\Cl)C[C@@H](CO)O1 ZINC000389159417 711071884 /nfs/dbraw/zinc/07/18/84/711071884.db2.gz OKGTXQKDBMUPCE-TYRPZCRBSA-N 1 2 219.712 1.211 20 0 BDADLO CC1(C)C[N@@H+](C/C=C\Cl)C[C@@H](CO)O1 ZINC000389159417 711071885 /nfs/dbraw/zinc/07/18/85/711071885.db2.gz OKGTXQKDBMUPCE-TYRPZCRBSA-N 1 2 219.712 1.211 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000389990626 711103344 /nfs/dbraw/zinc/10/33/44/711103344.db2.gz OCWAKABNZVRZRZ-LPEHRKFASA-N 1 2 231.361 1.669 20 0 BDADLO Cc1nnc(CN[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000391821010 711140106 /nfs/dbraw/zinc/14/01/06/711140106.db2.gz SXRIKJFGCSKDEP-SECBINFHSA-N 1 2 226.349 1.030 20 0 BDADLO Cc1nnc(CN[C@@H]2CCC[N@H+](C)C2)s1 ZINC000391821010 711140107 /nfs/dbraw/zinc/14/01/07/711140107.db2.gz SXRIKJFGCSKDEP-SECBINFHSA-N 1 2 226.349 1.030 20 0 BDADLO Cc1nnc(C[NH2+]Cc2scnc2C)s1 ZINC000391875367 711142274 /nfs/dbraw/zinc/14/22/74/711142274.db2.gz OOCMBIMCCBWEHZ-UHFFFAOYSA-N 1 2 240.357 1.901 20 0 BDADLO CNc1cc(N[C@H](CO)CC(C)C)nc[nH+]1 ZINC000393375540 711157790 /nfs/dbraw/zinc/15/77/90/711157790.db2.gz KXPZXRNQMMYIGT-VIFPVBQESA-N 1 2 224.308 1.337 20 0 BDADLO CNc1cc(N[C@H](CO)CC(C)C)[nH+]cn1 ZINC000393375540 711157794 /nfs/dbraw/zinc/15/77/94/711157794.db2.gz KXPZXRNQMMYIGT-VIFPVBQESA-N 1 2 224.308 1.337 20 0 BDADLO CCC1(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)COC1 ZINC000393979929 711180535 /nfs/dbraw/zinc/18/05/35/711180535.db2.gz AHUGOJDYIYNCHB-JTQLQIEISA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@H](C[NH2+]Cc1n[nH]cc1C)C(F)(F)F ZINC000381340505 710623752 /nfs/dbraw/zinc/62/37/52/710623752.db2.gz XKHMYRLWLVBAII-MRVPVSSYSA-N 1 2 237.225 1.385 20 0 BDADLO CO[C@H](C[NH2+]Cc1[nH]ncc1C)C(F)(F)F ZINC000381340505 710623751 /nfs/dbraw/zinc/62/37/51/710623751.db2.gz XKHMYRLWLVBAII-MRVPVSSYSA-N 1 2 237.225 1.385 20 0 BDADLO C[N@H+](CCCO)Cc1scnc1Cl ZINC000721922257 710692223 /nfs/dbraw/zinc/69/22/23/710692223.db2.gz OTCBMRWXQVRBNN-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO C[N@@H+](CCCO)Cc1scnc1Cl ZINC000721922257 710692225 /nfs/dbraw/zinc/69/22/25/710692225.db2.gz OTCBMRWXQVRBNN-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724415193 710740883 /nfs/dbraw/zinc/74/08/83/710740883.db2.gz ZSIMDSSZXVTGSM-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724415193 710740888 /nfs/dbraw/zinc/74/08/88/710740888.db2.gz ZSIMDSSZXVTGSM-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO CC[NH2+]Cc1noc(CCCCSC)n1 ZINC000381853498 710745995 /nfs/dbraw/zinc/74/59/95/710745995.db2.gz UHAUWWBIIJLPIY-UHFFFAOYSA-N 1 2 229.349 1.865 20 0 BDADLO CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001045299917 710837298 /nfs/dbraw/zinc/83/72/98/710837298.db2.gz HAWLZIIBHVSQIJ-VXGBXAGGSA-N 1 2 248.330 1.644 20 0 BDADLO COCC(C)(C)[NH2+]Cc1cnsn1 ZINC000399637453 710910258 /nfs/dbraw/zinc/91/02/58/710910258.db2.gz ASVAUPZLRMBGBO-UHFFFAOYSA-N 1 2 201.295 1.053 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccnc(C)c1 ZINC000391189173 711137146 /nfs/dbraw/zinc/13/71/46/711137146.db2.gz FGWNPJYXHFJUGP-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO COc1ccccc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392370795 711144711 /nfs/dbraw/zinc/14/47/11/711144711.db2.gz LCBUYQVNFPRVPQ-SECBINFHSA-N 1 2 246.314 1.973 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2cncs2)[nH]1 ZINC000392355727 711144986 /nfs/dbraw/zinc/14/49/86/711144986.db2.gz SODNFRDSRXTBCC-SSDOTTSWSA-N 1 2 237.332 1.674 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)[nH]1 ZINC000392412277 711147108 /nfs/dbraw/zinc/14/71/08/711147108.db2.gz CNABHNQQZGCNLQ-YUMQZZPRSA-N 1 2 234.307 1.258 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)[nH]1 ZINC000392428564 711147129 /nfs/dbraw/zinc/14/71/29/711147129.db2.gz ZYHIAALBXHGEBF-VIFPVBQESA-N 1 2 241.298 1.836 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(C)s2)[nH]1 ZINC000392420093 711147645 /nfs/dbraw/zinc/14/76/45/711147645.db2.gz OMJGQCMSXZZVPE-ZCFIWIBFSA-N 1 2 237.332 1.729 20 0 BDADLO CNc1cc(N[C@H]2CS[C@@H](C)C2)nc[nH+]1 ZINC000397826135 711391910 /nfs/dbraw/zinc/39/19/10/711391910.db2.gz BAXWCMUUQMRMHO-JGVFFNPUSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@H]2CS[C@@H](C)C2)[nH+]cn1 ZINC000397826135 711391914 /nfs/dbraw/zinc/39/19/14/711391914.db2.gz BAXWCMUUQMRMHO-JGVFFNPUSA-N 1 2 224.333 1.824 20 0 BDADLO CCc1cc(NCCOCCO)nc(CC)[nH+]1 ZINC000891462014 711531180 /nfs/dbraw/zinc/53/11/80/711531180.db2.gz ZQDQOAPVVOCQOU-UHFFFAOYSA-N 1 2 239.319 1.022 20 0 BDADLO Cc1cc(C)[nH+]c(CN(CCO)CC(F)F)c1 ZINC000723868286 711539981 /nfs/dbraw/zinc/53/99/81/711539981.db2.gz QNUZSWOPKNIUCZ-UHFFFAOYSA-N 1 2 244.285 1.758 20 0 BDADLO CC[C@H](CNc1cc(NC)nc[nH+]1)OC ZINC000308868614 711599592 /nfs/dbraw/zinc/59/95/92/711599592.db2.gz XXJSWIDKUFGEHM-MRVPVSSYSA-N 1 2 210.281 1.355 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC000725022751 711643667 /nfs/dbraw/zinc/64/36/67/711643667.db2.gz COAMXWBJTAETGJ-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO CNc1cc(N[C@@H]2CSC2(C)C)nc[nH+]1 ZINC000393765509 711677632 /nfs/dbraw/zinc/67/76/32/711677632.db2.gz CMHMESYAJWATTO-SSDOTTSWSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@@H]2CSC2(C)C)[nH+]cn1 ZINC000393765509 711677634 /nfs/dbraw/zinc/67/76/34/711677634.db2.gz CMHMESYAJWATTO-SSDOTTSWSA-N 1 2 224.333 1.824 20 0 BDADLO CC[N@H+](CCF)C[C@H](O)C(F)(F)F ZINC000308419117 711689600 /nfs/dbraw/zinc/68/96/00/711689600.db2.gz ODSIPYFPKSMRHO-LURJTMIESA-N 1 2 203.179 1.201 20 0 BDADLO CC[N@@H+](CCF)C[C@H](O)C(F)(F)F ZINC000308419117 711689602 /nfs/dbraw/zinc/68/96/02/711689602.db2.gz ODSIPYFPKSMRHO-LURJTMIESA-N 1 2 203.179 1.201 20 0 BDADLO c1n[nH]c2c1[C@@H]([NH2+]CC1=CCCOC1)CCC2 ZINC000334336875 711715435 /nfs/dbraw/zinc/71/54/35/711715435.db2.gz UFNBVMMDXJSTPW-LBPRGKRZSA-N 1 2 233.315 1.723 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893407360 711716139 /nfs/dbraw/zinc/71/61/39/711716139.db2.gz GHWNNTDBJJQFKU-DTWKUNHWSA-N 1 2 224.308 1.378 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893407360 711716140 /nfs/dbraw/zinc/71/61/40/711716140.db2.gz GHWNNTDBJJQFKU-DTWKUNHWSA-N 1 2 224.308 1.378 20 0 BDADLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001027255530 711720541 /nfs/dbraw/zinc/72/05/41/711720541.db2.gz IOPWZCZFDCWVTC-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027255530 711720544 /nfs/dbraw/zinc/72/05/44/711720544.db2.gz IOPWZCZFDCWVTC-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722317176 711734887 /nfs/dbraw/zinc/73/48/87/711734887.db2.gz XKFJWGIREIPRCG-CHWSQXEVSA-N 1 2 235.331 1.765 20 0 BDADLO FC(F)(F)[C@H]1CC[C@H](Cn2cc[nH+]c2)O1 ZINC000721400261 711753403 /nfs/dbraw/zinc/75/34/03/711753403.db2.gz XCNGTZZNGDDLRI-HTQZYQBOSA-N 1 2 220.194 1.993 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](NC(=O)C3CC3)C2)cc[nH+]1 ZINC001059124080 711768277 /nfs/dbraw/zinc/76/82/77/711768277.db2.gz NOFHCLLVPHBJPI-XYPYZODXSA-N 1 2 246.314 1.254 20 0 BDADLO C[C@H](c1nc([C@]2(C)CCCO2)no1)[NH+](C)C ZINC000923974306 711768880 /nfs/dbraw/zinc/76/88/80/711768880.db2.gz RYIKGZBJLYKJEE-KCJUWKMLSA-N 1 2 225.292 1.718 20 0 BDADLO CC(C)(O)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000721778317 711769352 /nfs/dbraw/zinc/76/93/52/711769352.db2.gz QFCJPVGRTNFSEF-SECBINFHSA-N 1 2 224.279 1.818 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2nc(C(F)F)no2)[C@@H](C)O1 ZINC000895724805 711781378 /nfs/dbraw/zinc/78/13/78/711781378.db2.gz ICIVJLUSGWPQSG-QYNIQEEDSA-N 1 2 247.245 1.663 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898504999 711801858 /nfs/dbraw/zinc/80/18/58/711801858.db2.gz WRBFFSVFINMIFY-GRYCIOLGSA-N 1 2 242.338 1.583 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898504999 711801859 /nfs/dbraw/zinc/80/18/59/711801859.db2.gz WRBFFSVFINMIFY-GRYCIOLGSA-N 1 2 242.338 1.583 20 0 BDADLO Cc1[nH]nc(NC(=O)CNc2cccc[nH+]2)c1C ZINC000900545742 711845953 /nfs/dbraw/zinc/84/59/53/711845953.db2.gz DLCSGCSGRCPUQJ-UHFFFAOYSA-N 1 2 245.286 1.472 20 0 BDADLO CC(C)(C)c1nnc(Cn2cc[nH+]c2)o1 ZINC000068802533 711889350 /nfs/dbraw/zinc/88/93/50/711889350.db2.gz AXRDJDLYFFRMMQ-UHFFFAOYSA-N 1 2 206.249 1.612 20 0 BDADLO C[C@@H](O)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494527 711935366 /nfs/dbraw/zinc/93/53/66/711935366.db2.gz ONZIOYVFRDCMCP-RKDXNWHRSA-N 1 2 217.309 1.077 20 0 BDADLO COc1cncc(C[NH2+]Cc2nccs2)c1 ZINC000700043293 711984339 /nfs/dbraw/zinc/98/43/39/711984339.db2.gz UTYORVGCHKLXTF-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1nc(Br)c[nH]1 ZINC000702613043 712057039 /nfs/dbraw/zinc/05/70/39/712057039.db2.gz WMCGIGUGMLHRLD-YFKPBYRVSA-N 1 2 236.088 1.620 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(N)nn2)[C@@H](C)CO1 ZINC000703980931 712098095 /nfs/dbraw/zinc/09/80/95/712098095.db2.gz AXJUHMIBOZCNPC-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(N)nn2)[C@@H](C)CO1 ZINC000703980931 712098097 /nfs/dbraw/zinc/09/80/97/712098097.db2.gz AXJUHMIBOZCNPC-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO COc1cncc(C[NH2+]Cc2ccn(C)n2)c1 ZINC000704197619 712100522 /nfs/dbraw/zinc/10/05/22/712100522.db2.gz COQUYQPTNUBCQR-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1ccncc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000709917510 712233087 /nfs/dbraw/zinc/23/30/87/712233087.db2.gz DNGGGPQCYDNRSR-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO Cc1cccc(C[NH2+][C@H](C)c2cn(C)cn2)n1 ZINC000710014651 712240983 /nfs/dbraw/zinc/24/09/83/712240983.db2.gz RCVSXQACSLKBDX-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000711302010 712293595 /nfs/dbraw/zinc/29/35/95/712293595.db2.gz KWBDUJYJEBELRD-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000711302010 712293596 /nfs/dbraw/zinc/29/35/96/712293596.db2.gz KWBDUJYJEBELRD-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO CC(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063153284 712342964 /nfs/dbraw/zinc/34/29/64/712342964.db2.gz XHGJKTQOPYXJHT-GFCCVEGCSA-N 1 2 248.330 1.280 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000379021594 712368612 /nfs/dbraw/zinc/36/86/12/712368612.db2.gz SPQYNEVBBOCHRI-VIFPVBQESA-N 1 2 245.754 1.585 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000379021594 712368614 /nfs/dbraw/zinc/36/86/14/712368614.db2.gz SPQYNEVBBOCHRI-VIFPVBQESA-N 1 2 245.754 1.585 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000379021585 712368999 /nfs/dbraw/zinc/36/89/99/712368999.db2.gz SPQYNEVBBOCHRI-SECBINFHSA-N 1 2 245.754 1.585 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000379021585 712369000 /nfs/dbraw/zinc/36/90/00/712369000.db2.gz SPQYNEVBBOCHRI-SECBINFHSA-N 1 2 245.754 1.585 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cc(C)cs2)C1 ZINC000379084254 712369470 /nfs/dbraw/zinc/36/94/70/712369470.db2.gz YTJUCVSRPZUJMJ-UHFFFAOYSA-N 1 2 238.356 1.881 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000379124555 712369992 /nfs/dbraw/zinc/36/99/92/712369992.db2.gz XTQWUOWFRJWEBN-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000379124555 712369993 /nfs/dbraw/zinc/36/99/93/712369993.db2.gz XTQWUOWFRJWEBN-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](C)OC)C(C)(C)C ZINC000390613073 712421476 /nfs/dbraw/zinc/42/14/76/712421476.db2.gz FSNSAPXJIDWCER-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000712530192 712441768 /nfs/dbraw/zinc/44/17/68/712441768.db2.gz VQWGSBOYVLCRAU-LPEHRKFASA-N 1 2 233.319 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@@H]3CCCC[C@H]23)[nH+]1 ZINC000712530192 712441769 /nfs/dbraw/zinc/44/17/69/712441769.db2.gz VQWGSBOYVLCRAU-LPEHRKFASA-N 1 2 233.319 1.753 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)C(=O)OC ZINC000713599296 712466799 /nfs/dbraw/zinc/46/67/99/712466799.db2.gz KBUYSTINMIANHP-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO CCCn1cc(C[NH2+][C@H](C)c2cnn(C)c2)nn1 ZINC000714506577 712493237 /nfs/dbraw/zinc/49/32/37/712493237.db2.gz HBNLJYLXOIFVCF-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO C[C@H]([NH2+]Cc1cnns1)c1ccns1 ZINC000715922288 712542644 /nfs/dbraw/zinc/54/26/44/712542644.db2.gz RHUJMRRDNXEXHN-LURJTMIESA-N 1 2 226.330 1.845 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC000716453034 712562023 /nfs/dbraw/zinc/56/20/23/712562023.db2.gz SUGVEVICVPKNFW-UTINFBMNSA-N 1 2 221.304 1.939 20 0 BDADLO CCC[C@@H](CCO)Nc1cc(NC)nc[nH+]1 ZINC000716908917 712581466 /nfs/dbraw/zinc/58/14/66/712581466.db2.gz LYVVZGYOQOBCTN-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1[nH+]cnc2c1cnn2C ZINC000716914558 712581969 /nfs/dbraw/zinc/58/19/69/712581969.db2.gz HMBAUEPRARQBES-RKDXNWHRSA-N 1 2 249.318 1.325 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)nc(N)[nH+]1 ZINC000717075002 712628875 /nfs/dbraw/zinc/62/88/75/712628875.db2.gz IHCSOPYSDWJEPC-MCNGFCJOSA-N 1 2 233.319 1.466 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)[nH+]1 ZINC000717075002 712628877 /nfs/dbraw/zinc/62/88/77/712628877.db2.gz IHCSOPYSDWJEPC-MCNGFCJOSA-N 1 2 233.319 1.466 20 0 BDADLO Cc1nc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)nc(N)[nH+]1 ZINC000717093132 712630931 /nfs/dbraw/zinc/63/09/31/712630931.db2.gz WPJYLNWPRSMWEJ-IVZWLZJFSA-N 1 2 233.319 1.610 20 0 BDADLO Cc1nc(N)nc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)[nH+]1 ZINC000717093132 712630932 /nfs/dbraw/zinc/63/09/32/712630932.db2.gz WPJYLNWPRSMWEJ-IVZWLZJFSA-N 1 2 233.319 1.610 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000379979800 712643678 /nfs/dbraw/zinc/64/36/78/712643678.db2.gz GUKLVJJLQVSOQS-NSHDSACASA-N 1 2 211.305 1.862 20 0 BDADLO CCCNc1cc(NC/C=C\CO)nc[nH+]1 ZINC000717498103 712659969 /nfs/dbraw/zinc/65/99/69/712659969.db2.gz LCDWQBOFZSRVJA-ARJAWSKDSA-N 1 2 222.292 1.259 20 0 BDADLO CCCNc1cc(NC/C=C\CO)[nH+]cn1 ZINC000717498103 712659970 /nfs/dbraw/zinc/65/99/70/712659970.db2.gz LCDWQBOFZSRVJA-ARJAWSKDSA-N 1 2 222.292 1.259 20 0 BDADLO OC/C=C/C[NH2+]Cc1occc1Br ZINC000717576394 712661157 /nfs/dbraw/zinc/66/11/57/712661157.db2.gz ILXIDVMYEJVTPV-OWOJBTEDSA-N 1 2 246.104 1.680 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](CO)C(C)(C)C ZINC000193098622 712727587 /nfs/dbraw/zinc/72/75/87/712727587.db2.gz YVKHFZXIWZZZKF-WDEREUQCSA-N 1 2 245.363 1.715 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000720373047 712836653 /nfs/dbraw/zinc/83/66/53/712836653.db2.gz KKVJYPSCGYQLMF-JTQLQIEISA-N 1 2 208.261 1.476 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000720373047 712836655 /nfs/dbraw/zinc/83/66/55/712836655.db2.gz KKVJYPSCGYQLMF-JTQLQIEISA-N 1 2 208.261 1.476 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCO[C@H](C)CC1 ZINC000720432138 712842371 /nfs/dbraw/zinc/84/23/71/712842371.db2.gz OBZFBJHSWHLZDL-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCO[C@H](C)CC1 ZINC000720432138 712842374 /nfs/dbraw/zinc/84/23/74/712842374.db2.gz OBZFBJHSWHLZDL-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccoc1 ZINC000720581218 712854351 /nfs/dbraw/zinc/85/43/51/712854351.db2.gz BLKPCJSKLBZYSW-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720789651 712865861 /nfs/dbraw/zinc/86/58/61/712865861.db2.gz TVWWAMSMIACDKD-WOPDTQHZSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720789651 712865863 /nfs/dbraw/zinc/86/58/63/712865863.db2.gz TVWWAMSMIACDKD-WOPDTQHZSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720789648 712865932 /nfs/dbraw/zinc/86/59/32/712865932.db2.gz TVWWAMSMIACDKD-GRYCIOLGSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720789648 712865933 /nfs/dbraw/zinc/86/59/33/712865933.db2.gz TVWWAMSMIACDKD-GRYCIOLGSA-N 1 2 241.331 1.439 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cncs2)[nH]1 ZINC000380312870 712873858 /nfs/dbraw/zinc/87/38/58/712873858.db2.gz HSRHOFFHTGRCPG-ZCFIWIBFSA-N 1 2 223.305 1.420 20 0 BDADLO CC1(C[NH2+]Cc2ncc(Cl)s2)OCCO1 ZINC000380336120 712888419 /nfs/dbraw/zinc/88/84/19/712888419.db2.gz QCKZXJJLANNRNX-UHFFFAOYSA-N 1 2 248.735 1.649 20 0 BDADLO CC(=O)N(C)C1C[NH+](C[C@@H](C)C(F)(F)F)C1 ZINC001208894090 957210281 /nfs/dbraw/zinc/21/02/81/957210281.db2.gz OMCAJOXVWRUPEV-SSDOTTSWSA-N 1 2 238.253 1.347 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001209553955 957506042 /nfs/dbraw/zinc/50/60/42/957506042.db2.gz DZNJETQRJULTFJ-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001209553955 957506052 /nfs/dbraw/zinc/50/60/52/957506052.db2.gz DZNJETQRJULTFJ-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1N ZINC000086549332 958534713 /nfs/dbraw/zinc/53/47/13/958534713.db2.gz OSSLVOSBJTYNSU-UHFFFAOYSA-N 1 2 241.722 1.100 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1N ZINC000086549332 958534732 /nfs/dbraw/zinc/53/47/32/958534732.db2.gz OSSLVOSBJTYNSU-UHFFFAOYSA-N 1 2 241.722 1.100 20 0 BDADLO C[C@@H](Cc1cccs1)[N@H+](C)Cc1nnc[nH]1 ZINC001167609673 959052583 /nfs/dbraw/zinc/05/25/83/959052583.db2.gz XKMMKNHSBAZBDW-VIFPVBQESA-N 1 2 236.344 1.929 20 0 BDADLO C[C@@H](Cc1cccs1)[N@@H+](C)Cc1nnc[nH]1 ZINC001167609673 959052600 /nfs/dbraw/zinc/05/26/00/959052600.db2.gz XKMMKNHSBAZBDW-VIFPVBQESA-N 1 2 236.344 1.929 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C(C)C)C2)c[nH+]1 ZINC000724782839 959489210 /nfs/dbraw/zinc/48/92/10/959489210.db2.gz OPILKPQBBRAVKJ-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1[nH]cc(CN2CCO[C@H](C(C)C)C2)[nH+]1 ZINC000724782839 959489216 /nfs/dbraw/zinc/48/92/16/959489216.db2.gz OPILKPQBBRAVKJ-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](OC(C)C)C2)c[nH]1 ZINC000724787323 959523253 /nfs/dbraw/zinc/52/32/53/959523253.db2.gz VFTUTVAEQFLTCB-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](OC(C)C)C2)c[nH]1 ZINC000724787323 959523289 /nfs/dbraw/zinc/52/32/89/959523289.db2.gz VFTUTVAEQFLTCB-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H](OC(C)C)C2)[nH]1 ZINC000724787323 959523301 /nfs/dbraw/zinc/52/33/01/959523301.db2.gz VFTUTVAEQFLTCB-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H](OC(C)C)C2)[nH]1 ZINC000724787323 959523314 /nfs/dbraw/zinc/52/33/14/959523314.db2.gz VFTUTVAEQFLTCB-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cn1ncn(C)c1=S ZINC000173520696 960351303 /nfs/dbraw/zinc/35/13/03/960351303.db2.gz HMAGBHKBYQQUAU-QMMMGPOBSA-N 1 2 212.322 1.393 20 0 BDADLO C[C@H]1CCC[N@H+]1Cn1ncn(C)c1=S ZINC000173520696 960351311 /nfs/dbraw/zinc/35/13/11/960351311.db2.gz HMAGBHKBYQQUAU-QMMMGPOBSA-N 1 2 212.322 1.393 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)n[nH]1 ZINC001203070285 960621994 /nfs/dbraw/zinc/62/19/94/960621994.db2.gz NOWRJYPHZLXLTR-MNOVXSKESA-N 1 2 227.283 1.013 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)n[nH]1 ZINC001203070285 960621999 /nfs/dbraw/zinc/62/19/99/960621999.db2.gz NOWRJYPHZLXLTR-MNOVXSKESA-N 1 2 227.283 1.013 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2[nH]cc(C)c2C)C[C@@H]1F ZINC001140858862 960633890 /nfs/dbraw/zinc/63/38/90/960633890.db2.gz PWEDJGGFEOZCBG-CMPLNLGQSA-N 1 2 226.295 1.800 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2[nH]cc(C)c2C)C[C@@H]1F ZINC001140858862 960633898 /nfs/dbraw/zinc/63/38/98/960633898.db2.gz PWEDJGGFEOZCBG-CMPLNLGQSA-N 1 2 226.295 1.800 20 0 BDADLO Oc1ccc(C[NH+]2CCC(O)CC2)c(F)c1F ZINC001140889732 960669850 /nfs/dbraw/zinc/66/98/50/960669850.db2.gz JZIKZDZAVFUJSJ-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO C[N@H+](Cc1ccc(O)c(F)c1F)[C@H]1CCOC1 ZINC001140894064 960674008 /nfs/dbraw/zinc/67/40/08/960674008.db2.gz PJRMGMBQDHHIGT-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1ccc(O)c(F)c1F)[C@H]1CCOC1 ZINC001140894064 960674034 /nfs/dbraw/zinc/67/40/34/960674034.db2.gz PJRMGMBQDHHIGT-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)[nH]n1 ZINC001203081257 960734998 /nfs/dbraw/zinc/73/49/98/960734998.db2.gz MNKGGBQXMKBGOI-NSHDSACASA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@]23CCOC3)[nH]n1 ZINC001203081257 960735009 /nfs/dbraw/zinc/73/50/09/960735009.db2.gz MNKGGBQXMKBGOI-NSHDSACASA-N 1 2 207.277 1.083 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csnn2)CCC[C@]1(C)O ZINC001140992812 960786243 /nfs/dbraw/zinc/78/62/43/960786243.db2.gz YWEBMTMHLACBQD-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csnn2)CCC[C@]1(C)O ZINC001140992812 960786254 /nfs/dbraw/zinc/78/62/54/960786254.db2.gz YWEBMTMHLACBQD-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csnn1 ZINC001140997302 960786810 /nfs/dbraw/zinc/78/68/10/960786810.db2.gz NISJMIKUBDJNEB-ZACCUICWSA-N 1 2 239.344 1.680 20 0 BDADLO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csnn1 ZINC001140997302 960786830 /nfs/dbraw/zinc/78/68/30/960786830.db2.gz NISJMIKUBDJNEB-ZACCUICWSA-N 1 2 239.344 1.680 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000300045590 960854329 /nfs/dbraw/zinc/85/43/29/960854329.db2.gz MCYWLXACJUFIPD-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000300045590 960854332 /nfs/dbraw/zinc/85/43/32/960854332.db2.gz MCYWLXACJUFIPD-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001269189385 962505782 /nfs/dbraw/zinc/50/57/82/962505782.db2.gz UDKZCXQANIVWKM-AZVKUDOFSA-N 1 2 216.712 1.339 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001269189385 962505791 /nfs/dbraw/zinc/50/57/91/962505791.db2.gz UDKZCXQANIVWKM-AZVKUDOFSA-N 1 2 216.712 1.339 20 0 BDADLO CSCc1cc[nH+]c(NC2(C(N)=O)CC2)c1 ZINC001155095964 962975807 /nfs/dbraw/zinc/97/58/07/962975807.db2.gz VCFWMLVEVARCOQ-UHFFFAOYSA-N 1 2 237.328 1.374 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2cnsn2)[C@H]1CCO ZINC000697208159 963850924 /nfs/dbraw/zinc/85/09/24/963850924.db2.gz PAMHSICJELTWDO-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2cnsn2)[C@H]1CCO ZINC000697208159 963850929 /nfs/dbraw/zinc/85/09/29/963850929.db2.gz PAMHSICJELTWDO-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO CSCCCNc1c(F)cc[nH+]c1N ZINC001163874989 965613534 /nfs/dbraw/zinc/61/35/34/965613534.db2.gz RHHGLBXEWUKYIH-UHFFFAOYSA-N 1 2 215.297 1.968 20 0 BDADLO Nc1cc(N2CCC[C@H](C(F)F)C2)[nH+]cn1 ZINC001166775027 966404295 /nfs/dbraw/zinc/40/42/95/966404295.db2.gz SXUQGSIHYNJJFG-ZETCQYMHSA-N 1 2 228.246 1.540 20 0 BDADLO CCc1cn(CCCCC(=O)OC)c[nH+]1 ZINC001166823027 966425207 /nfs/dbraw/zinc/42/52/07/966425207.db2.gz QYMUZAWUMOBMDF-UHFFFAOYSA-N 1 2 210.277 1.789 20 0 BDADLO Cc1cc(CC[NH+]2CCOCC2)cc(O)c1F ZINC001250276813 967613457 /nfs/dbraw/zinc/61/34/57/967613457.db2.gz PLVQGMOYSFCEAG-UHFFFAOYSA-N 1 2 239.290 1.714 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC001250964722 968228883 /nfs/dbraw/zinc/22/88/83/968228883.db2.gz NJQHOLRJGGBGEZ-APPZFPTMSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC001250964722 968228897 /nfs/dbraw/zinc/22/88/97/968228897.db2.gz NJQHOLRJGGBGEZ-APPZFPTMSA-N 1 2 239.237 1.211 20 0 BDADLO CCCC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC001252088046 968509633 /nfs/dbraw/zinc/50/96/33/968509633.db2.gz JIOXZFHXEDRJRT-LBPRGKRZSA-N 1 2 223.320 1.250 20 0 BDADLO CCCC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC001252088046 968509637 /nfs/dbraw/zinc/50/96/37/968509637.db2.gz JIOXZFHXEDRJRT-LBPRGKRZSA-N 1 2 223.320 1.250 20 0 BDADLO O[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1F ZINC001207017027 968552381 /nfs/dbraw/zinc/55/23/81/968552381.db2.gz NBRFXIWOMBJKDT-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1F ZINC001207017027 968552390 /nfs/dbraw/zinc/55/23/90/968552390.db2.gz NBRFXIWOMBJKDT-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207090191 968621837 /nfs/dbraw/zinc/62/18/37/968621837.db2.gz FXEQLBKKDDUXPF-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207090191 968621840 /nfs/dbraw/zinc/62/18/40/968621840.db2.gz FXEQLBKKDDUXPF-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CC(C)(C)O ZINC001252366986 968644560 /nfs/dbraw/zinc/64/45/60/968644560.db2.gz VVKNJCFYRDJLHF-UHFFFAOYSA-N 1 2 231.336 1.467 20 0 BDADLO C[N@H+](CCCn1cccn1)CC(F)F ZINC001208086885 968988990 /nfs/dbraw/zinc/98/89/90/968988990.db2.gz YCWSXPCEUYSXHN-UHFFFAOYSA-N 1 2 203.236 1.470 20 0 BDADLO C[N@@H+](CCCn1cccn1)CC(F)F ZINC001208086885 968989000 /nfs/dbraw/zinc/98/90/00/968989000.db2.gz YCWSXPCEUYSXHN-UHFFFAOYSA-N 1 2 203.236 1.470 20 0 BDADLO C[C@@H](C[NH+]1CC2(C1)CS(=O)C2)C(F)(F)F ZINC001208897159 969287072 /nfs/dbraw/zinc/28/70/72/969287072.db2.gz ZSKRZMBKPFVXCV-ZETCQYMHSA-N 1 2 241.278 1.249 20 0 BDADLO COCCOC1C[NH+](C[C@@H](C)C(F)(F)F)C1 ZINC001208898765 969288229 /nfs/dbraw/zinc/28/82/29/969288229.db2.gz YZSVFCUKIKZGJO-MRVPVSSYSA-N 1 2 241.253 1.532 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC001253740850 969358226 /nfs/dbraw/zinc/35/82/26/969358226.db2.gz KVRJLZDFWDSDAF-VHSXEESVSA-N 1 2 231.336 1.323 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)C(C)C ZINC001253778212 969400147 /nfs/dbraw/zinc/40/01/47/969400147.db2.gz JAPMJZUYQKPLTK-NWDGAFQWSA-N 1 2 245.363 1.571 20 0 BDADLO COC1CCC(C[N@@H+]2CCCC(=O)C2)CC1 ZINC001209396053 969462192 /nfs/dbraw/zinc/46/21/92/969462192.db2.gz PUKFKLNVDSXNTC-UHFFFAOYSA-N 1 2 225.332 1.857 20 0 BDADLO COC1CCC(C[N@H+]2CCCC(=O)C2)CC1 ZINC001209396053 969462204 /nfs/dbraw/zinc/46/22/04/969462204.db2.gz PUKFKLNVDSXNTC-UHFFFAOYSA-N 1 2 225.332 1.857 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCOC1)C1CCCC1 ZINC001254369237 969581359 /nfs/dbraw/zinc/58/13/59/969581359.db2.gz GQIDUZROCDXINE-NEPJUHHUSA-N 1 2 241.331 1.487 20 0 BDADLO FC1(F)CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001210224751 969838549 /nfs/dbraw/zinc/83/85/49/969838549.db2.gz GMVDPGLKHZKSBH-SNVBAGLBSA-N 1 2 235.274 1.523 20 0 BDADLO CCc1nnc([C@@H]2CC3CC[NH+]2CC3)o1 ZINC001255050344 969866008 /nfs/dbraw/zinc/86/60/08/969866008.db2.gz CMAZOFQQSWARIY-VIFPVBQESA-N 1 2 207.277 1.789 20 0 BDADLO c1cncc(OC2C[NH+]([C@@H]3CCSC3)C2)c1 ZINC001255289901 970050410 /nfs/dbraw/zinc/05/04/10/970050410.db2.gz RVPSAGLPHOJCHX-SNVBAGLBSA-N 1 2 236.340 1.650 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@@H](C)CCCC(C)C ZINC001170057501 970100812 /nfs/dbraw/zinc/10/08/12/970100812.db2.gz KHUZDQOPUHGTSU-WDEREUQCSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)[NH+]1CC(Nc2cncnc2Cl)C1 ZINC001157526337 970413747 /nfs/dbraw/zinc/41/37/47/970413747.db2.gz QTFNGPNVYDITCQ-UHFFFAOYSA-N 1 2 226.711 1.635 20 0 BDADLO CC[C@H]1C[C@@H]([NH+]2CC(C)(F)C2)CCO1 ZINC001170205510 970570456 /nfs/dbraw/zinc/57/04/56/970570456.db2.gz AMGMKDNXGRMGRI-UWVGGRQHSA-N 1 2 201.285 1.988 20 0 BDADLO Cc1cc[nH+]c(C)c1OC[C@@H]1COCO1 ZINC001227263344 975340463 /nfs/dbraw/zinc/34/04/63/975340463.db2.gz FIIVLVJGAVFFDW-JTQLQIEISA-N 1 2 209.245 1.450 20 0 BDADLO COc1cc(C[N@H+](C)C2COC2)ccc1O ZINC001204115438 975369512 /nfs/dbraw/zinc/36/95/12/975369512.db2.gz WQHVVXLPBGPTIY-UHFFFAOYSA-N 1 2 223.272 1.231 20 0 BDADLO COc1cc(C[N@@H+](C)C2COC2)ccc1O ZINC001204115438 975369519 /nfs/dbraw/zinc/36/95/19/975369519.db2.gz WQHVVXLPBGPTIY-UHFFFAOYSA-N 1 2 223.272 1.231 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc(N(C)C)[nH+]cn2)C1 ZINC001333755074 976066654 /nfs/dbraw/zinc/06/66/54/976066654.db2.gz VIXHCCJGFGDIHU-AOOOYVTPSA-N 1 2 236.319 1.156 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc(N(C)C)nc[nH+]2)C1 ZINC001333755074 976066674 /nfs/dbraw/zinc/06/66/74/976066674.db2.gz VIXHCCJGFGDIHU-AOOOYVTPSA-N 1 2 236.319 1.156 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCO[C@](C)(CC)C1 ZINC001335906763 977359578 /nfs/dbraw/zinc/35/95/78/977359578.db2.gz OUYCAEHPJVZYTH-KTRBRXNASA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCO[C@](C)(CC)C1 ZINC001335906763 977359586 /nfs/dbraw/zinc/35/95/86/977359586.db2.gz OUYCAEHPJVZYTH-KTRBRXNASA-N 1 2 241.331 1.607 20 0 BDADLO Oc1cc2c(cc1OC1COC1)CC[NH+]=C2 ZINC001230920260 977384626 /nfs/dbraw/zinc/38/46/26/977384626.db2.gz KRZNETJCVYKZSQ-UHFFFAOYSA-N 1 2 219.240 1.145 20 0 BDADLO CSC[C@@H](O)C[NH2+][C@@H](c1ncon1)C(C)C ZINC001336035715 977441091 /nfs/dbraw/zinc/44/10/91/977441091.db2.gz NEQUDCFJGJOOPP-DTWKUNHWSA-N 1 2 245.348 1.080 20 0 BDADLO C[C@H]1CCN(c2cc(N)nc[nH+]2)CC1(C)C ZINC001336575771 977792115 /nfs/dbraw/zinc/79/21/15/977792115.db2.gz BVDBTXWEAFAYEP-VIFPVBQESA-N 1 2 220.320 1.931 20 0 BDADLO O=C([O-])CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001595061777 977940412 /nfs/dbraw/zinc/94/04/12/977940412.db2.gz VWWPPSWTHHPOKQ-MNOVXSKESA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001595061777 977940422 /nfs/dbraw/zinc/94/04/22/977940422.db2.gz VWWPPSWTHHPOKQ-MNOVXSKESA-N 1 2 226.320 1.068 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cnsc1)C2 ZINC001232225253 977951543 /nfs/dbraw/zinc/95/15/43/977951543.db2.gz YRMHFWGLQGENSL-UHFFFAOYSA-N 1 2 210.302 1.100 20 0 BDADLO c1nscc1C[NH+]1CC2(C1)CCCOC2 ZINC001232226150 977957816 /nfs/dbraw/zinc/95/78/16/977957816.db2.gz NYSRMADZZWJHQU-UHFFFAOYSA-N 1 2 224.329 1.756 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(F)ccn2)C[C@@H]1OC ZINC001232490585 978144951 /nfs/dbraw/zinc/14/49/51/978144951.db2.gz MCFWIMKLFQGVHD-TXEJJXNPSA-N 1 2 240.278 1.066 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(F)ccn2)C[C@@H]1OC ZINC001232490585 978144958 /nfs/dbraw/zinc/14/49/58/978144958.db2.gz MCFWIMKLFQGVHD-TXEJJXNPSA-N 1 2 240.278 1.066 20 0 BDADLO COc1cncc(OC)c1C[N@H+](C)C1CC1 ZINC001232500685 978153011 /nfs/dbraw/zinc/15/30/11/978153011.db2.gz MAIBHZIXUKFFAM-UHFFFAOYSA-N 1 2 222.288 1.693 20 0 BDADLO COc1cncc(OC)c1C[N@@H+](C)C1CC1 ZINC001232500685 978153017 /nfs/dbraw/zinc/15/30/17/978153017.db2.gz MAIBHZIXUKFFAM-UHFFFAOYSA-N 1 2 222.288 1.693 20 0 BDADLO FCc1cccc(C[NH+]2CC3(COC3)C2)n1 ZINC001232535906 978161311 /nfs/dbraw/zinc/16/13/11/978161311.db2.gz PBBPSGDLJSWCJW-UHFFFAOYSA-N 1 2 222.263 1.383 20 0 BDADLO Cc1cc(C)c(C[N@@H+](C)C2COC2)cn1 ZINC001233007093 978399946 /nfs/dbraw/zinc/39/99/46/978399946.db2.gz LQQBIIFSIIYIJS-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO Cc1cc(C)c(C[N@H+](C)C2COC2)cn1 ZINC001233007093 978399954 /nfs/dbraw/zinc/39/99/54/978399954.db2.gz LQQBIIFSIIYIJS-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO C[N@@H+](Cc1ccsc1Cl)C[C@@H](O)CO ZINC001233055973 978449952 /nfs/dbraw/zinc/44/99/52/978449952.db2.gz KLMSJWSEMFNGFF-MRVPVSSYSA-N 1 2 235.736 1.187 20 0 BDADLO C[N@H+](Cc1ccsc1Cl)C[C@@H](O)CO ZINC001233055973 978449958 /nfs/dbraw/zinc/44/99/58/978449958.db2.gz KLMSJWSEMFNGFF-MRVPVSSYSA-N 1 2 235.736 1.187 20 0 BDADLO Cc1cnsc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC001233318061 978552738 /nfs/dbraw/zinc/55/27/38/978552738.db2.gz OGCGVABLHUTUFG-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO Cc1cnsc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC001233318061 978552752 /nfs/dbraw/zinc/55/27/52/978552752.db2.gz OGCGVABLHUTUFG-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO FC1(F)CN(Cc2cccc3[nH+]ccn32)C1 ZINC001233360720 978570346 /nfs/dbraw/zinc/57/03/46/978570346.db2.gz AYPYZBDVXOBLHA-UHFFFAOYSA-N 1 2 223.226 1.785 20 0 BDADLO Cc1cc(F)cc(N2CCO[C@@H](C(F)F)C2)[nH+]1 ZINC001337975240 978582500 /nfs/dbraw/zinc/58/25/00/978582500.db2.gz WMXDSDCLTHEIMC-SECBINFHSA-N 1 2 246.232 1.999 20 0 BDADLO CC[NH+]1CC(Oc2ccnc(C(C)C)n2)C1 ZINC001233804620 978701874 /nfs/dbraw/zinc/70/18/74/978701874.db2.gz RHOCUICGDFMEMC-UHFFFAOYSA-N 1 2 221.304 1.683 20 0 BDADLO CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001277827060 978762414 /nfs/dbraw/zinc/76/24/14/978762414.db2.gz UORQMVKCPXITOX-BQBZGAKWSA-N 1 2 244.232 1.343 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2F)c[nH+]1 ZINC001339060120 978783790 /nfs/dbraw/zinc/78/37/90/978783790.db2.gz OYFOCJWNLWHJBP-QWRGUYRKSA-N 1 2 222.263 1.673 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2nccc(Cl)n2)C1 ZINC001234534644 978859460 /nfs/dbraw/zinc/85/94/60/978859460.db2.gz PFPIZUNEIPJYLD-UHFFFAOYSA-N 1 2 241.722 1.992 20 0 BDADLO CCn1cnc(Cl)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC001180430677 978878767 /nfs/dbraw/zinc/87/87/67/978878767.db2.gz RQIJLDIZLQAXQW-SECBINFHSA-N 1 2 243.738 1.513 20 0 BDADLO CCn1cnc(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC001180430677 978878772 /nfs/dbraw/zinc/87/87/72/978878772.db2.gz RQIJLDIZLQAXQW-SECBINFHSA-N 1 2 243.738 1.513 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@H](F)C2)c[nH]1 ZINC001234938508 978933666 /nfs/dbraw/zinc/93/36/66/978933666.db2.gz RBLIGINBSQOGPZ-SNVBAGLBSA-N 1 2 240.278 1.735 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2CC[C@@H](F)C2)c[nH]1 ZINC001234938508 978933674 /nfs/dbraw/zinc/93/36/74/978933674.db2.gz RBLIGINBSQOGPZ-SNVBAGLBSA-N 1 2 240.278 1.735 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001339937939 978944103 /nfs/dbraw/zinc/94/41/03/978944103.db2.gz FHTVIBWDRGZUCA-SSDOTTSWSA-N 1 2 247.245 1.237 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(F)(F)F ZINC001181952100 979382511 /nfs/dbraw/zinc/38/25/11/979382511.db2.gz LFPKNPNNYQAQTO-MRVPVSSYSA-N 1 2 249.236 1.420 20 0 BDADLO CNc1ccc(CC(=O)OC(C)C)c[nH+]1 ZINC001250085752 979612891 /nfs/dbraw/zinc/61/28/91/979612891.db2.gz AEDYLTFTHPMRPQ-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001604753663 979714975 /nfs/dbraw/zinc/71/49/75/979714975.db2.gz HFHAGGHQNWYZGZ-KKOKHZNYSA-N 1 2 240.347 1.027 20 0 BDADLO C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001604753663 979714990 /nfs/dbraw/zinc/71/49/90/979714990.db2.gz HFHAGGHQNWYZGZ-KKOKHZNYSA-N 1 2 240.347 1.027 20 0 BDADLO CCCCC1(NC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001342913298 979935986 /nfs/dbraw/zinc/93/59/86/979935986.db2.gz AORKEXZDCLHCLS-QMMMGPOBSA-N 1 2 234.290 1.808 20 0 BDADLO CCc1[nH]ncc1C[N@H+](C)CCC1OCCO1 ZINC001237660275 980024731 /nfs/dbraw/zinc/02/47/31/980024731.db2.gz YIHGWTSDLSEBOB-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](C)CCC1OCCO1 ZINC001237660275 980024741 /nfs/dbraw/zinc/02/47/41/980024741.db2.gz YIHGWTSDLSEBOB-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(F)cc1Cl ZINC001238016435 980123889 /nfs/dbraw/zinc/12/38/89/980123889.db2.gz BSTNMBUSCCHYHV-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(F)cc1Cl ZINC001238016435 980123890 /nfs/dbraw/zinc/12/38/90/980123890.db2.gz BSTNMBUSCCHYHV-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO COC1C[NH+](Cc2cc(O)ccc2C)C1 ZINC001238094864 980144406 /nfs/dbraw/zinc/14/44/06/980144406.db2.gz BRKABUYUOPUZML-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1C[C@H]1F ZINC001343733554 980225030 /nfs/dbraw/zinc/22/50/30/980225030.db2.gz OASSPBWBDVDDTF-NXEZZACHSA-N 1 2 226.251 1.254 20 0 BDADLO COc1cc(C[N@@H+]2CCCOCC2)cnc1F ZINC001238447604 980264977 /nfs/dbraw/zinc/26/49/77/980264977.db2.gz IKHOKNPIBFWFMI-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO COc1cc(C[N@H+]2CCCOCC2)cnc1F ZINC001238447604 980264995 /nfs/dbraw/zinc/26/49/95/980264995.db2.gz IKHOKNPIBFWFMI-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO CC[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001346425943 980834543 /nfs/dbraw/zinc/83/45/43/980834543.db2.gz HQQADLZHCXLESM-LLVKDONJSA-N 1 2 235.331 1.754 20 0 BDADLO CCOC[C@@H]1CC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001191473502 981037397 /nfs/dbraw/zinc/03/73/97/981037397.db2.gz FCBRIFSZVAZCLK-NXEZZACHSA-N 1 2 241.360 1.958 20 0 BDADLO CCOC[C@@H]1CC[N@H+]([C@H](C)c2csnn2)C1 ZINC001191473502 981037402 /nfs/dbraw/zinc/03/74/02/981037402.db2.gz FCBRIFSZVAZCLK-NXEZZACHSA-N 1 2 241.360 1.958 20 0 BDADLO CCCC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC001193024150 981228716 /nfs/dbraw/zinc/22/87/16/981228716.db2.gz QJHCYOXOEXWLHX-JTQLQIEISA-N 1 2 238.335 1.798 20 0 BDADLO CC(C)COC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001193865485 981487115 /nfs/dbraw/zinc/48/71/15/981487115.db2.gz ZQTMNNSBEGRPAP-LLVKDONJSA-N 1 2 244.335 1.089 20 0 BDADLO CC(C)COC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001193865485 981487117 /nfs/dbraw/zinc/48/71/17/981487117.db2.gz ZQTMNNSBEGRPAP-LLVKDONJSA-N 1 2 244.335 1.089 20 0 BDADLO CO[C@@H]1CCC[C@H](c2nnc(C[NH+](C)C)o2)C1 ZINC001349984600 981834445 /nfs/dbraw/zinc/83/44/45/981834445.db2.gz CQMRHHAJCKJBLM-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnoc2)CCCC1=O ZINC001205669986 981837034 /nfs/dbraw/zinc/83/70/34/981837034.db2.gz GABNEXRAYOKJFJ-VIFPVBQESA-N 1 2 208.261 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnoc2)CCCC1=O ZINC001205669986 981837040 /nfs/dbraw/zinc/83/70/40/981837040.db2.gz GABNEXRAYOKJFJ-VIFPVBQESA-N 1 2 208.261 1.476 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001352080086 982455652 /nfs/dbraw/zinc/45/56/52/982455652.db2.gz UTOOAAHDNADKDZ-NKWVEPMBSA-N 1 2 247.245 1.664 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)OCC[C@H]2C)s1 ZINC001198762173 982834094 /nfs/dbraw/zinc/83/40/94/982834094.db2.gz XWGPKGVHCXXJIC-RKDXNWHRSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1[nH+]cc(C[NH2+]CC2(C(=O)[O-])CCC2)n1C ZINC001353909649 983071509 /nfs/dbraw/zinc/07/15/09/983071509.db2.gz KRFXRCVXGWIOAD-UHFFFAOYSA-N 1 2 237.303 1.073 20 0 BDADLO CCCCCCNC(=S)NC1C[NH+](C)C1 ZINC001200959415 983120393 /nfs/dbraw/zinc/12/03/93/983120393.db2.gz AZPMCRYFVYLMMT-UHFFFAOYSA-N 1 2 229.393 1.345 20 0 BDADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(C)n1 ZINC001201272654 983174345 /nfs/dbraw/zinc/17/43/45/983174345.db2.gz RWTBUAKDFFQQBT-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO Cc1ncnc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201278173 983178618 /nfs/dbraw/zinc/17/86/18/983178618.db2.gz DEPMOMXQLVWWBO-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001201573324 983339434 /nfs/dbraw/zinc/33/94/34/983339434.db2.gz NPATZTKKBRNITP-SNVBAGLBSA-N 1 2 246.326 1.897 20 0 BDADLO CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001201573324 983339439 /nfs/dbraw/zinc/33/94/39/983339439.db2.gz NPATZTKKBRNITP-SNVBAGLBSA-N 1 2 246.326 1.897 20 0 BDADLO CC(C)(C)OC(=O)N1CC[N@H+](CC2CC2)C1 ZINC001201952276 983522191 /nfs/dbraw/zinc/52/21/91/983522191.db2.gz JHOOCWSAUQSJJZ-UHFFFAOYSA-N 1 2 226.320 1.907 20 0 BDADLO CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC2)C1 ZINC001201952276 983522206 /nfs/dbraw/zinc/52/22/06/983522206.db2.gz JHOOCWSAUQSJJZ-UHFFFAOYSA-N 1 2 226.320 1.907 20 0 BDADLO Cc1csc(C[NH+]2CC3(C2)CS(=O)C3)c1 ZINC001137153207 983989052 /nfs/dbraw/zinc/98/90/52/983989052.db2.gz SEZZSXDCWFOHQH-UHFFFAOYSA-N 1 2 241.381 1.621 20 0 BDADLO CCC[N@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000132493703 984049196 /nfs/dbraw/zinc/04/91/96/984049196.db2.gz YWPVAYMBQRPZMC-UHFFFAOYSA-N 1 2 230.333 1.760 20 0 BDADLO CCC[N@@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000132493703 984049206 /nfs/dbraw/zinc/04/92/06/984049206.db2.gz YWPVAYMBQRPZMC-UHFFFAOYSA-N 1 2 230.333 1.760 20 0 BDADLO CCOCC[C@@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172416122 974684260 /nfs/dbraw/zinc/68/42/60/974684260.db2.gz DLVSVEMEDUGITM-OPRDCNLKSA-N 1 2 207.264 1.793 20 0 BDADLO Cc1cc(O)cc(C)c1OC1C[NH+](C)C1 ZINC001225965926 974747036 /nfs/dbraw/zinc/74/70/36/974747036.db2.gz HGARWBXGUQSEEO-UHFFFAOYSA-N 1 2 207.273 1.702 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1[C@@H](C)CCOC(C)C ZINC001172443285 974802787 /nfs/dbraw/zinc/80/27/87/974802787.db2.gz MTOJQFCFLNXUCW-QWRGUYRKSA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1[C@@H](C)CCOC(C)C ZINC001172443285 974802792 /nfs/dbraw/zinc/80/27/92/974802792.db2.gz MTOJQFCFLNXUCW-QWRGUYRKSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OCC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172447815 974809573 /nfs/dbraw/zinc/80/95/73/974809573.db2.gz GXWXPEKXUDENQU-VWYCJHECSA-N 1 2 246.326 1.088 20 0 BDADLO CC(C)(NC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC001328339452 972975465 /nfs/dbraw/zinc/97/54/65/972975465.db2.gz MTYZIPYIQNIADL-UHFFFAOYSA-N 1 2 235.209 1.409 20 0 BDADLO CCN(C(=O)c1sccc1C)C1C[NH+](C)C1 ZINC001147112919 973435396 /nfs/dbraw/zinc/43/53/96/973435396.db2.gz IQIBMVOOOXPNMZ-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO COC(C)(CNc1cc2cc[nH]c2c[nH+]1)OC ZINC001170432517 970803712 /nfs/dbraw/zinc/80/37/12/970803712.db2.gz GJVPGJRBDNIMBQ-UHFFFAOYSA-N 1 2 235.287 1.984 20 0 BDADLO CN1CC2(C1)CCC[N@H+](Cc1cnccn1)C2 ZINC001276733056 970890895 /nfs/dbraw/zinc/89/08/95/970890895.db2.gz WUMITNYPAUOCOU-UHFFFAOYSA-N 1 2 232.331 1.004 20 0 BDADLO CN1CC2(C1)CCC[N@@H+](Cc1cnccn1)C2 ZINC001276733056 970890904 /nfs/dbraw/zinc/89/09/04/970890904.db2.gz WUMITNYPAUOCOU-UHFFFAOYSA-N 1 2 232.331 1.004 20 0 BDADLO CCn1cc(-c2c[nH+]c(N)c(C)c2)ccc1=O ZINC001243839854 970981634 /nfs/dbraw/zinc/98/16/34/970981634.db2.gz VRXRPXUXBALIDL-UHFFFAOYSA-N 1 2 229.283 1.821 20 0 BDADLO C[NH2+]Cc1cccc(Nc2nnc(C)o2)c1F ZINC001216221187 970988449 /nfs/dbraw/zinc/98/84/49/970988449.db2.gz VPUZHQFGZJHLEC-UHFFFAOYSA-N 1 2 236.250 1.980 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001257074599 971090923 /nfs/dbraw/zinc/09/09/23/971090923.db2.gz QRPPLXRMALFRLG-JGPRNRPPSA-N 1 2 241.331 1.628 20 0 BDADLO COc1cc[nH+]cc1NC1=CCCOC1 ZINC001216505232 971102636 /nfs/dbraw/zinc/10/26/36/971102636.db2.gz LZDXUOFJNXIWOB-UHFFFAOYSA-N 1 2 206.245 1.806 20 0 BDADLO CCCCOC(=O)C[N@H+](CCCO)C1CC1 ZINC000404324762 971158814 /nfs/dbraw/zinc/15/88/14/971158814.db2.gz QPNHNERBXXOTIP-UHFFFAOYSA-N 1 2 229.320 1.177 20 0 BDADLO CCCCOC(=O)C[N@@H+](CCCO)C1CC1 ZINC000404324762 971158820 /nfs/dbraw/zinc/15/88/20/971158820.db2.gz QPNHNERBXXOTIP-UHFFFAOYSA-N 1 2 229.320 1.177 20 0 BDADLO CCC(CC)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001257293887 971180207 /nfs/dbraw/zinc/18/02/07/971180207.db2.gz DZGIJMURNMQWJH-LLVKDONJSA-N 1 2 239.319 1.287 20 0 BDADLO Nc1cnc(C[NH+]2CCC(F)(F)CC2)cn1 ZINC000405065821 971192766 /nfs/dbraw/zinc/19/27/66/971192766.db2.gz XCLGCKFZNMYIFO-UHFFFAOYSA-N 1 2 228.246 1.290 20 0 BDADLO CCCCCc1nnc([C@@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217695253 971329978 /nfs/dbraw/zinc/32/99/78/971329978.db2.gz HVLYMIILWKRYFT-ZJUUUORDSA-N 1 2 239.319 1.588 20 0 BDADLO Cc1nnc([C@H]([NH3+])CC(=O)OC(C)(C)C)o1 ZINC001217694731 971331242 /nfs/dbraw/zinc/33/12/42/971331242.db2.gz KMRTUEPBXHBOJG-SSDOTTSWSA-N 1 2 227.264 1.110 20 0 BDADLO CC(C)(C)OC[C@H]([NH3+])c1nnc(C2CC2)o1 ZINC001217697813 971336585 /nfs/dbraw/zinc/33/65/85/971336585.db2.gz WDIRTDIBGHJQEP-QMMMGPOBSA-N 1 2 225.292 1.762 20 0 BDADLO CC[C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)O ZINC001257430906 971337229 /nfs/dbraw/zinc/33/72/29/971337229.db2.gz NHHVBFQFBKNYMK-BBBLOLIVSA-N 1 2 231.336 1.466 20 0 BDADLO CCCc1nnc([C@H]([NH3+])COC(C)(C)C)o1 ZINC001217702280 971343487 /nfs/dbraw/zinc/34/34/87/971343487.db2.gz ZONAQAJJXGKMAV-MRVPVSSYSA-N 1 2 227.308 1.837 20 0 BDADLO OC1(C(F)(F)F)C[NH+](C2CCCCC2)C1 ZINC001257455026 971378621 /nfs/dbraw/zinc/37/86/21/971378621.db2.gz TXMYRDGDJBEQCS-UHFFFAOYSA-N 1 2 223.238 1.928 20 0 BDADLO CC(C)(C)Cc1nnc(Cn2cc[nH+]c2)o1 ZINC001257835564 971500409 /nfs/dbraw/zinc/50/04/09/971500409.db2.gz YTORQSPHSZZNAT-UHFFFAOYSA-N 1 2 220.276 1.903 20 0 BDADLO CC[NH+]1CC(Oc2ccccc2OC)C1 ZINC001225213689 974241271 /nfs/dbraw/zinc/24/12/71/974241271.db2.gz ZDZFFBYJIDJSEY-UHFFFAOYSA-N 1 2 207.273 1.778 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170711998 971616695 /nfs/dbraw/zinc/61/66/95/971616695.db2.gz JHQBJCAAPHQILR-RTCCRHLQSA-N 1 2 225.332 1.962 20 0 BDADLO CCC=CNc1ncnc2c1C[N@H+](C)CC2 ZINC001170766044 971758011 /nfs/dbraw/zinc/75/80/11/971758011.db2.gz AOGIWDZKTUJPCW-GQCTYLIASA-N 1 2 218.304 1.800 20 0 BDADLO CCC=CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001170766044 971758024 /nfs/dbraw/zinc/75/80/24/971758024.db2.gz AOGIWDZKTUJPCW-GQCTYLIASA-N 1 2 218.304 1.800 20 0 BDADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](C)C(=O)OC ZINC001172320011 974530805 /nfs/dbraw/zinc/53/08/05/974530805.db2.gz UVAMXIMUBUGJCM-DCAQKATOSA-N 1 2 231.336 1.731 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCCOCC1 ZINC001170810175 971874450 /nfs/dbraw/zinc/87/44/50/971874450.db2.gz XVBGZZUWRZAKRC-AXFHLTTASA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCCOCC1 ZINC001170810175 971874451 /nfs/dbraw/zinc/87/44/51/971874451.db2.gz XVBGZZUWRZAKRC-AXFHLTTASA-N 1 2 245.294 1.141 20 0 BDADLO CCOC(=O)C[N@@H+](CC)[C@@H]1COC(C)(C)C1 ZINC001172294455 974561771 /nfs/dbraw/zinc/56/17/71/974561771.db2.gz ZGRXDBLNEGXZSS-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1COCC[C@H]1[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001170821809 971909972 /nfs/dbraw/zinc/90/99/72/971909972.db2.gz YNMKPVNVODUFBB-PSASIEDQSA-N 1 2 247.298 1.413 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1ccc2c([nH+]1)CCOC2 ZINC001170823438 971918095 /nfs/dbraw/zinc/91/80/95/971918095.db2.gz WTZMVIQBBSHCLE-CMPLNLGQSA-N 1 2 248.326 1.991 20 0 BDADLO O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1[NH2+]CCS1 ZINC001218942756 971968063 /nfs/dbraw/zinc/96/80/63/971968063.db2.gz OPRKHVHVJMLLEG-GFCCVEGCSA-N 1 2 247.323 1.769 20 0 BDADLO CCc1nc(N2CCC(=O)[C@@H](C)C2)cc[nH+]1 ZINC001331131310 974615190 /nfs/dbraw/zinc/61/51/90/974615190.db2.gz AETKBWXFXVFGHS-VIFPVBQESA-N 1 2 219.288 1.454 20 0 BDADLO CCCCCC[C@@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191021776 972075439 /nfs/dbraw/zinc/07/54/39/972075439.db2.gz JHJXLDRWMSNXBF-UTUOFQBUSA-N 1 2 245.363 1.857 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2ccc(Cl)nc2)[nH]1 ZINC001245925329 972097826 /nfs/dbraw/zinc/09/78/26/972097826.db2.gz WOXZTTORKJOKPM-UHFFFAOYSA-N 1 2 238.678 1.144 20 0 BDADLO CCOC(=O)[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001170956576 972154634 /nfs/dbraw/zinc/15/46/34/972154634.db2.gz PHHFNUSSIZAGRZ-QWRGUYRKSA-N 1 2 249.314 1.929 20 0 BDADLO CC1(C[N@@H+]2CCCC(=O)[C@@H](F)C2)CCOCC1 ZINC001207963918 956897559 /nfs/dbraw/zinc/89/75/59/956897559.db2.gz QKTZRSVQEQQFRM-NSHDSACASA-N 1 2 243.322 1.806 20 0 BDADLO CC1(C[N@H+]2CCCC(=O)[C@@H](F)C2)CCOCC1 ZINC001207963918 956897561 /nfs/dbraw/zinc/89/75/61/956897561.db2.gz QKTZRSVQEQQFRM-NSHDSACASA-N 1 2 243.322 1.806 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000705275119 957026934 /nfs/dbraw/zinc/02/69/34/957026934.db2.gz FNZCEYNIZNQTIE-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000705275119 957026952 /nfs/dbraw/zinc/02/69/52/957026952.db2.gz FNZCEYNIZNQTIE-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO Cc1cc(C)c(Nc2cn(C)nn2)c[nH+]1 ZINC001213508118 957045491 /nfs/dbraw/zinc/04/54/91/957045491.db2.gz LLCDVINVENRPKC-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167795 957057411 /nfs/dbraw/zinc/05/74/11/957057411.db2.gz GSMKKFSOAFYIID-VOAKCMCISA-N 1 2 235.327 1.979 20 0 BDADLO CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167795 957057431 /nfs/dbraw/zinc/05/74/31/957057431.db2.gz GSMKKFSOAFYIID-VOAKCMCISA-N 1 2 235.327 1.979 20 0 BDADLO OC1C[NH+](CCCc2ccccc2Cl)C1 ZINC001208872321 957194045 /nfs/dbraw/zinc/19/40/45/957194045.db2.gz NVJUUHKZTMLUCW-UHFFFAOYSA-N 1 2 225.719 1.949 20 0 BDADLO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccncn1 ZINC000396722516 957200744 /nfs/dbraw/zinc/20/07/44/957200744.db2.gz WSLLDSVVJVTLGZ-UHFFFAOYSA-N 1 2 239.282 1.375 20 0 BDADLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccncn1 ZINC000396722516 957200756 /nfs/dbraw/zinc/20/07/56/957200756.db2.gz WSLLDSVVJVTLGZ-UHFFFAOYSA-N 1 2 239.282 1.375 20 0 BDADLO C[C@H](C[NH+]1CC(N2CC(F)C2)C1)C(F)(F)F ZINC001208888010 957207886 /nfs/dbraw/zinc/20/78/86/957207886.db2.gz RDCNWLNTAPTJGW-SSDOTTSWSA-N 1 2 240.244 1.523 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000705431813 957227167 /nfs/dbraw/zinc/22/71/67/957227167.db2.gz NXHOCWARBBFJKS-UHFFFAOYSA-N 1 2 239.702 1.945 20 0 BDADLO Cc1cc2c(cn1)CN(c1ccc(N)c[nH+]1)C2 ZINC001167107124 957375110 /nfs/dbraw/zinc/37/51/10/957375110.db2.gz KWMMKRTXXJPMDE-UHFFFAOYSA-N 1 2 226.283 1.887 20 0 BDADLO Cc1ccnnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123594 957420528 /nfs/dbraw/zinc/42/05/28/957420528.db2.gz CYKPLGGZUYEULD-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO O=C([O-])c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000048805595 957461865 /nfs/dbraw/zinc/46/18/65/957461865.db2.gz FESLTZRBFUNGSR-UHFFFAOYSA-N 1 2 234.299 1.180 20 0 BDADLO O=C([O-])c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000048805595 957461872 /nfs/dbraw/zinc/46/18/72/957461872.db2.gz FESLTZRBFUNGSR-UHFFFAOYSA-N 1 2 234.299 1.180 20 0 BDADLO Cn1c[nH+]c2cc(NC3=CCOC3)ccc21 ZINC001203389705 957520792 /nfs/dbraw/zinc/52/07/92/957520792.db2.gz DETRAJJYKJZXCH-UHFFFAOYSA-N 1 2 215.256 1.899 20 0 BDADLO O=C1CC[N@H+](Cc2cc(Cl)ccn2)CCN1 ZINC000086130083 957564798 /nfs/dbraw/zinc/56/47/98/957564798.db2.gz HAKSPWBZBVMUFX-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2cc(Cl)ccn2)CCN1 ZINC000086130083 957564803 /nfs/dbraw/zinc/56/48/03/957564803.db2.gz HAKSPWBZBVMUFX-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO CN1C[C@H](Nc2ccn3cc[nH+]c3c2)CCC1=O ZINC001167241910 957574989 /nfs/dbraw/zinc/57/49/89/957574989.db2.gz APDHGXBYXCPLML-LLVKDONJSA-N 1 2 244.298 1.367 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3c2OCC3)n[nH]1 ZINC000693093499 957667290 /nfs/dbraw/zinc/66/72/90/957667290.db2.gz UNZRNOGNJQBXBO-UHFFFAOYSA-N 1 2 229.283 1.634 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCOC3)nc2ccccn12 ZINC001136876291 972288567 /nfs/dbraw/zinc/28/85/67/972288567.db2.gz XYTPXVPRNVQVLP-UHFFFAOYSA-N 1 2 243.310 1.557 20 0 BDADLO c1cnnc(CNc2ccc3c([nH+]2)CCOC3)c1 ZINC001167321003 957750020 /nfs/dbraw/zinc/75/00/20/957750020.db2.gz CSMQOAWWCODJHM-UHFFFAOYSA-N 1 2 242.282 1.556 20 0 BDADLO O=C([O-])[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000080991831 957770079 /nfs/dbraw/zinc/77/00/79/957770079.db2.gz BDAVBXXLSQWLIN-NSHDSACASA-N 1 2 237.303 1.212 20 0 BDADLO O=C([O-])[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1 ZINC000080991831 957770091 /nfs/dbraw/zinc/77/00/91/957770091.db2.gz BDAVBXXLSQWLIN-NSHDSACASA-N 1 2 237.303 1.212 20 0 BDADLO Cc1ccn2c(C[N@@H+](C)C3(C)COC3)cnc2c1 ZINC001136890177 972291960 /nfs/dbraw/zinc/29/19/60/972291960.db2.gz RYDWIZNIYUTYTE-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@H+](C)C3(C)COC3)cnc2c1 ZINC001136890177 972291966 /nfs/dbraw/zinc/29/19/66/972291966.db2.gz RYDWIZNIYUTYTE-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CSc1c[nH]c2nc[nH+]c(NC3CC(=O)C3)c12 ZINC001167336250 957793289 /nfs/dbraw/zinc/79/32/89/957793289.db2.gz VIUGNKRIHMJULC-UHFFFAOYSA-N 1 2 248.311 1.823 20 0 BDADLO CC(=O)c1cc(Nc2[nH+]cc(C)cc2N)ccn1 ZINC001210589968 957812652 /nfs/dbraw/zinc/81/26/52/957812652.db2.gz CYFRZHLSXXBPLT-UHFFFAOYSA-N 1 2 242.282 1.735 20 0 BDADLO CCCO[C@@H]1CC[N@H+](CC(=O)OCC)C1 ZINC000706433363 957849981 /nfs/dbraw/zinc/84/99/81/957849981.db2.gz FQQBOFKCVIFFNC-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](CC(=O)OCC)C1 ZINC000706433363 957849986 /nfs/dbraw/zinc/84/99/86/957849986.db2.gz FQQBOFKCVIFFNC-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)c1c(C[NH+]2CC(C)C2)cnn1C ZINC001136903108 972297258 /nfs/dbraw/zinc/29/72/58/972297258.db2.gz VMSYSGHGXUWLNR-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000382346845 957940746 /nfs/dbraw/zinc/94/07/46/957940746.db2.gz NOLDQTHHNFCQGE-SECBINFHSA-N 1 2 211.305 1.860 20 0 BDADLO C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000092926566 958200070 /nfs/dbraw/zinc/20/00/70/958200070.db2.gz IAROJMWOWCENKG-WDEREUQCSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCn1cc[nH+]c1 ZINC000092926566 958200089 /nfs/dbraw/zinc/20/00/89/958200089.db2.gz IAROJMWOWCENKG-WDEREUQCSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1c[nH+]cc(Nc2scnc2C(N)=O)c1C ZINC001213527481 958212184 /nfs/dbraw/zinc/21/21/84/958212184.db2.gz NMDHAGCINUGQDR-UHFFFAOYSA-N 1 2 248.311 1.997 20 0 BDADLO Nc1ccc(C[NH+]2CC(C(F)F)C2)cn1 ZINC000707043414 958343444 /nfs/dbraw/zinc/34/34/44/958343444.db2.gz FPFMVEHDDHQIIB-UHFFFAOYSA-N 1 2 213.231 1.361 20 0 BDADLO CCC[C@H](CC)N[C@H]1C[NH2+]CC1(F)F ZINC001246464665 972341490 /nfs/dbraw/zinc/34/14/90/972341490.db2.gz SHUFYULGTJLHCW-IUCAKERBSA-N 1 2 206.280 1.762 20 0 BDADLO CCC[C@H](CC)[NH2+][C@H]1CNCC1(F)F ZINC001246464665 972341493 /nfs/dbraw/zinc/34/14/93/972341493.db2.gz SHUFYULGTJLHCW-IUCAKERBSA-N 1 2 206.280 1.762 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140469428 958540299 /nfs/dbraw/zinc/54/02/99/958540299.db2.gz OSFKXGAQRVRTPQ-VHSXEESVSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140469428 958540315 /nfs/dbraw/zinc/54/03/15/958540315.db2.gz OSFKXGAQRVRTPQ-VHSXEESVSA-N 1 2 249.314 1.510 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1C ZINC001143757906 972361003 /nfs/dbraw/zinc/36/10/03/972361003.db2.gz PTUHPGFNYDJVPT-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1C ZINC001143757906 972361021 /nfs/dbraw/zinc/36/10/21/972361021.db2.gz PTUHPGFNYDJVPT-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000094687837 958699785 /nfs/dbraw/zinc/69/97/85/958699785.db2.gz LSLQWYYEWAGDEK-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000094687837 958699790 /nfs/dbraw/zinc/69/97/90/958699790.db2.gz LSLQWYYEWAGDEK-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO CC1(C)C[C@@H](OCCn2cc[nH+]c2)CCO1 ZINC001222138556 972371065 /nfs/dbraw/zinc/37/10/65/972371065.db2.gz HAMRBKSTFFZSDJ-NSHDSACASA-N 1 2 224.304 1.857 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)OCCn1cc[nH+]c1 ZINC001222130084 972381615 /nfs/dbraw/zinc/38/16/15/972381615.db2.gz XQIFCJNLHJBZTN-LLVKDONJSA-N 1 2 234.303 1.703 20 0 BDADLO COC[C@@H](C)OC[C@H](C)OCCn1cc[nH+]c1 ZINC001222138940 972382076 /nfs/dbraw/zinc/38/20/76/972382076.db2.gz MLTYLYFRAVDJAE-NEPJUHHUSA-N 1 2 242.319 1.340 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC[C@@H](F)C(=O)C1 ZINC001204587339 958878137 /nfs/dbraw/zinc/87/81/37/958878137.db2.gz AWGSOTMFAHOXMN-SECBINFHSA-N 1 2 225.267 1.221 20 0 BDADLO c1cn(CCO[C@H]2C[C@H]3C=C[C@@H]2C3)c[nH+]1 ZINC001222134525 972384370 /nfs/dbraw/zinc/38/43/70/972384370.db2.gz FSAUQNKDYYHGHZ-TUAOUCFPSA-N 1 2 204.273 1.864 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCOCC(F)(F)C1 ZINC001204588480 958907568 /nfs/dbraw/zinc/90/75/68/958907568.db2.gz FMHCIUXELTVCCO-UHFFFAOYSA-N 1 2 231.246 1.186 20 0 BDADLO CCc1ccnc(NCc2cc[nH+]c(N)c2)n1 ZINC001167613767 959064844 /nfs/dbraw/zinc/06/48/44/959064844.db2.gz MKOKYESOYWYBQC-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO COc1nnc(NCc2cc[nH+]c(N)c2)cc1C ZINC001167615177 959076199 /nfs/dbraw/zinc/07/61/99/959076199.db2.gz ZSDDTAHICMZJGN-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO Nc1cc(CNc2ccc3ncnn3c2)cc[nH+]1 ZINC001167617367 959080597 /nfs/dbraw/zinc/08/05/97/959080597.db2.gz KWOBTQSVDJNGQF-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO CC(=O)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001167631243 959139563 /nfs/dbraw/zinc/13/95/63/959139563.db2.gz WZYBVOMVUFCBIJ-UHFFFAOYSA-N 1 2 229.283 1.932 20 0 BDADLO Cn1nncc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087143 959218928 /nfs/dbraw/zinc/21/89/28/959218928.db2.gz JXBPQMWKNIBXNA-UHFFFAOYSA-N 1 2 240.270 1.949 20 0 BDADLO Cc1ccc(CNC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000724762950 959301584 /nfs/dbraw/zinc/30/15/84/959301584.db2.gz VMGUXWPMEFLNEC-JTQLQIEISA-N 1 2 242.269 1.594 20 0 BDADLO CCCC1(CNC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000724743926 959356570 /nfs/dbraw/zinc/35/65/70/959356570.db2.gz GFDYEODXOUFTGP-MRVPVSSYSA-N 1 2 234.290 1.665 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@@H](C)C1 ZINC000724754580 959362803 /nfs/dbraw/zinc/36/28/03/959362803.db2.gz CYPBZQJYLJLIOZ-RGOKHQFPSA-N 1 2 248.317 1.910 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3ccncc3C2)o1 ZINC001140682314 959513120 /nfs/dbraw/zinc/51/31/20/959513120.db2.gz WMUPKQMDALJZSX-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3ccncc3C2)o1 ZINC001140682314 959513138 /nfs/dbraw/zinc/51/31/38/959513138.db2.gz WMUPKQMDALJZSX-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](OC(C)C)C2)c[nH]1 ZINC000724787322 959528337 /nfs/dbraw/zinc/52/83/37/959528337.db2.gz VFTUTVAEQFLTCB-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c[nH]1 ZINC000724787322 959528362 /nfs/dbraw/zinc/52/83/62/959528362.db2.gz VFTUTVAEQFLTCB-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000724787322 959528379 /nfs/dbraw/zinc/52/83/79/959528379.db2.gz VFTUTVAEQFLTCB-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000724787322 959528396 /nfs/dbraw/zinc/52/83/96/959528396.db2.gz VFTUTVAEQFLTCB-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO [NH3+][C@H](CO)c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001217697068 959556852 /nfs/dbraw/zinc/55/68/52/959556852.db2.gz UQVWRGWQVYMZKY-OUAUKWLOSA-N 1 2 245.282 1.333 20 0 BDADLO CNc1cc(N[C@H](C)Cc2ccccn2)nc[nH+]1 ZINC000694068064 959710781 /nfs/dbraw/zinc/71/07/81/959710781.db2.gz ILIHMFQQHFINQJ-SNVBAGLBSA-N 1 2 243.314 1.956 20 0 BDADLO CNc1cc(N[C@H](C)Cc2ccccn2)[nH+]cn1 ZINC000694068064 959710790 /nfs/dbraw/zinc/71/07/90/959710790.db2.gz ILIHMFQQHFINQJ-SNVBAGLBSA-N 1 2 243.314 1.956 20 0 BDADLO CC(C)(C(=O)OCCn1cc[nH+]c1)n1cccn1 ZINC001327148483 972465723 /nfs/dbraw/zinc/46/57/23/972465723.db2.gz ODHILPWDJALEAY-UHFFFAOYSA-N 1 2 248.286 1.058 20 0 BDADLO C=CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999464 959976311 /nfs/dbraw/zinc/97/63/11/959976311.db2.gz GKMHNQBHXDIVRM-JTQLQIEISA-N 1 2 221.304 1.600 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCOCC23CC3)c1C ZINC001140861603 959993890 /nfs/dbraw/zinc/99/38/90/959993890.db2.gz JTSLOKFJHOJSOB-UHFFFAOYSA-N 1 2 220.316 1.996 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCOCC23CC3)c1C ZINC001140861603 959993905 /nfs/dbraw/zinc/99/39/05/959993905.db2.gz JTSLOKFJHOJSOB-UHFFFAOYSA-N 1 2 220.316 1.996 20 0 BDADLO O=C([O-])c1coc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000228158248 959995798 /nfs/dbraw/zinc/99/57/98/959995798.db2.gz ITYZGZVBELYUHN-UHFFFAOYSA-N 1 2 249.270 1.354 20 0 BDADLO CCC[C@@H]1CN(c2cc(N)nc[nH+]2)CCO1 ZINC000708886346 960076873 /nfs/dbraw/zinc/07/68/73/960076873.db2.gz VCOFVTNYHCSBTH-SECBINFHSA-N 1 2 222.292 1.064 20 0 BDADLO CC(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112018271 960079415 /nfs/dbraw/zinc/07/94/15/960079415.db2.gz PKAPTNUDQJPNHH-UHFFFAOYSA-N 1 2 236.319 1.090 20 0 BDADLO Cc1cc[nH+]c(C)c1OC[C@H]1C[C@H](O)C1 ZINC001218425775 960091238 /nfs/dbraw/zinc/09/12/38/960091238.db2.gz HQMHXGCBEPEXJK-XYPYZODXSA-N 1 2 207.273 1.848 20 0 BDADLO CCCC(C)(C)C(=O)NC1C[NH+](CCOC)C1 ZINC001267657124 960179715 /nfs/dbraw/zinc/17/97/15/960179715.db2.gz IILXCDUCLUQJNM-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2ncco2)CC12CC2 ZINC001141012645 960200006 /nfs/dbraw/zinc/20/00/06/960200006.db2.gz UHCCCTKXFWUGCR-VIFPVBQESA-N 1 2 236.271 1.060 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2ncco2)CC12CC2 ZINC001141012645 960200011 /nfs/dbraw/zinc/20/00/11/960200011.db2.gz UHCCCTKXFWUGCR-VIFPVBQESA-N 1 2 236.271 1.060 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001141031520 960219203 /nfs/dbraw/zinc/21/92/03/960219203.db2.gz QKEZWIGJPKOCBO-GFCCVEGCSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001141031520 960219209 /nfs/dbraw/zinc/21/92/09/960219209.db2.gz QKEZWIGJPKOCBO-GFCCVEGCSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1oc(C[NH2+]CCC[NH+](C)C)cc1C(=O)[O-] ZINC000232443000 960272949 /nfs/dbraw/zinc/27/29/49/960272949.db2.gz OBBUYKVEOBCUCR-UHFFFAOYSA-N 1 2 240.303 1.328 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccc(CO)o2)CCC1=O ZINC001140679335 960491109 /nfs/dbraw/zinc/49/11/09/960491109.db2.gz XGKKTCLOFKXGJZ-JTQLQIEISA-N 1 2 237.299 1.573 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccc(CO)o2)CCC1=O ZINC001140679335 960491119 /nfs/dbraw/zinc/49/11/19/960491119.db2.gz XGKKTCLOFKXGJZ-JTQLQIEISA-N 1 2 237.299 1.573 20 0 BDADLO Cc1nc(N(C)CCN(C)C(=O)C2CC2)cc[nH+]1 ZINC001105313151 960609077 /nfs/dbraw/zinc/60/90/77/960609077.db2.gz YFANXZXREMQILZ-UHFFFAOYSA-N 1 2 248.330 1.090 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)n[nH]1 ZINC001203070181 960620070 /nfs/dbraw/zinc/62/00/70/960620070.db2.gz JTAQDDPGNFKUGU-JOYOIKCWSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)n[nH]1 ZINC001203070181 960620076 /nfs/dbraw/zinc/62/00/76/960620076.db2.gz JTAQDDPGNFKUGU-JOYOIKCWSA-N 1 2 223.320 1.311 20 0 BDADLO CNc1nc(SC)ncc1C[NH+]1CC(C)C1 ZINC001140836464 960623780 /nfs/dbraw/zinc/62/37/80/960623780.db2.gz IHEQUFJMOLJQEG-UHFFFAOYSA-N 1 2 238.360 1.692 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)n[nH]1 ZINC001203070179 960627708 /nfs/dbraw/zinc/62/77/08/960627708.db2.gz JTAQDDPGNFKUGU-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)n[nH]1 ZINC001203070179 960627713 /nfs/dbraw/zinc/62/77/13/960627713.db2.gz JTAQDDPGNFKUGU-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c1C ZINC001140862833 960643031 /nfs/dbraw/zinc/64/30/31/960643031.db2.gz OILOPJXBSNXPEV-GFCCVEGCSA-N 1 2 247.342 1.438 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c1C ZINC001140862833 960643039 /nfs/dbraw/zinc/64/30/39/960643039.db2.gz OILOPJXBSNXPEV-GFCCVEGCSA-N 1 2 247.342 1.438 20 0 BDADLO c1cc2ccc(C[NH2+]Cc3cnn[nH]3)cc2[nH]1 ZINC000398369607 960654716 /nfs/dbraw/zinc/65/47/16/960654716.db2.gz NVVMYIWQAXGORY-UHFFFAOYSA-N 1 2 227.271 1.576 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001143511886 960699216 /nfs/dbraw/zinc/69/92/16/960699216.db2.gz AGTSTWUSYPECCH-MNOVXSKESA-N 1 2 245.326 1.916 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@@H]2c2cnccn2)o1 ZINC001140931696 960703891 /nfs/dbraw/zinc/70/38/91/960703891.db2.gz QDCSDIGKGPAJEZ-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@@H]2c2cnccn2)o1 ZINC001140931696 960703896 /nfs/dbraw/zinc/70/38/96/960703896.db2.gz QDCSDIGKGPAJEZ-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@@H]1C(C)C ZINC001140938033 960723697 /nfs/dbraw/zinc/72/36/97/960723697.db2.gz QJSZWOZWKLGTIQ-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001140938033 960723713 /nfs/dbraw/zinc/72/37/13/960723713.db2.gz QJSZWOZWKLGTIQ-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO C[C@@H]1C[C@H](OCc2c[nH+]cn2C)CCO1 ZINC001222599740 960723362 /nfs/dbraw/zinc/72/33/62/960723362.db2.gz DMZRZWIGUBCIRR-MWLCHTKSSA-N 1 2 210.277 1.504 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2ncccc2C1 ZINC001140937792 960723869 /nfs/dbraw/zinc/72/38/69/960723869.db2.gz ARPLPDQNRCNXHY-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2ncccc2C1 ZINC001140937792 960723886 /nfs/dbraw/zinc/72/38/86/960723886.db2.gz ARPLPDQNRCNXHY-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)[nH]n1 ZINC001203081650 960754008 /nfs/dbraw/zinc/75/40/08/960754008.db2.gz YWGHOLQVMZJZTO-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)[nH]n1 ZINC001203081650 960753994 /nfs/dbraw/zinc/75/39/94/960753994.db2.gz YWGHOLQVMZJZTO-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO C[C@H]1CC[N@H+](Cc2csnn2)CC[C@@]1(C)O ZINC001140992560 960780033 /nfs/dbraw/zinc/78/00/33/960780033.db2.gz KDQKIOJPLAGUAE-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2csnn2)CC[C@@]1(C)O ZINC001140992560 960780047 /nfs/dbraw/zinc/78/00/47/960780047.db2.gz KDQKIOJPLAGUAE-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO Oc1c(F)cc(C[N@H+]2CCC[C@H](O)C2)cc1F ZINC001140988272 960784375 /nfs/dbraw/zinc/78/43/75/960784375.db2.gz VAJPLSOVABRHSK-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Oc1c(F)cc(C[N@@H+]2CCC[C@H](O)C2)cc1F ZINC001140988272 960784395 /nfs/dbraw/zinc/78/43/95/960784395.db2.gz VAJPLSOVABRHSK-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cn[nH]c2)C[C@@H]1F ZINC001203086121 960803436 /nfs/dbraw/zinc/80/34/36/960803436.db2.gz KFZDBDUCWCWRAK-UWVGGRQHSA-N 1 2 215.247 1.682 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cn[nH]c2)C[C@@H]1F ZINC001203086121 960803438 /nfs/dbraw/zinc/80/34/38/960803438.db2.gz KFZDBDUCWCWRAK-UWVGGRQHSA-N 1 2 215.247 1.682 20 0 BDADLO O=C1CC[N@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@H]12 ZINC001203086212 960810575 /nfs/dbraw/zinc/81/05/75/960810575.db2.gz NVQIELNTRXSVKY-RYUDHWBXSA-N 1 2 233.315 1.743 20 0 BDADLO O=C1CC[N@@H+](Cc2cn[nH]c2)[C@H]2CCCC[C@H]12 ZINC001203086212 960810577 /nfs/dbraw/zinc/81/05/77/960810577.db2.gz NVQIELNTRXSVKY-RYUDHWBXSA-N 1 2 233.315 1.743 20 0 BDADLO CCN(Cc1ocnc1C)C1C[NH+](C)C1 ZINC001141055256 960854137 /nfs/dbraw/zinc/85/41/37/960854137.db2.gz WLUZVBCAUCVKKX-UHFFFAOYSA-N 1 2 209.293 1.119 20 0 BDADLO CC[N@H+](Cc1ocnc1C)C1CN(C)C1 ZINC001141055256 960854143 /nfs/dbraw/zinc/85/41/43/960854143.db2.gz WLUZVBCAUCVKKX-UHFFFAOYSA-N 1 2 209.293 1.119 20 0 BDADLO CC[N@@H+](Cc1ocnc1C)C1CN(C)C1 ZINC001141055256 960854159 /nfs/dbraw/zinc/85/41/59/960854159.db2.gz WLUZVBCAUCVKKX-UHFFFAOYSA-N 1 2 209.293 1.119 20 0 BDADLO CCCCc1[nH]c(CN2C[C@@H](O)[C@@H](F)C2)c[nH+]1 ZINC001141067801 960858905 /nfs/dbraw/zinc/85/89/05/960858905.db2.gz OHDVDZBGMIZHIU-WDEREUQCSA-N 1 2 241.310 1.267 20 0 BDADLO CCCCc1[nH]cc(CN2C[C@@H](O)[C@@H](F)C2)[nH+]1 ZINC001141067801 960858917 /nfs/dbraw/zinc/85/89/17/960858917.db2.gz OHDVDZBGMIZHIU-WDEREUQCSA-N 1 2 241.310 1.267 20 0 BDADLO CCCCc1[nH]c(CN(C)C2COC2)c[nH+]1 ZINC001141072749 960861776 /nfs/dbraw/zinc/86/17/76/960861776.db2.gz XPHWVSFKBUHIOI-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CCCCc1[nH]cc(CN(C)C2COC2)[nH+]1 ZINC001141072749 960861777 /nfs/dbraw/zinc/86/17/77/960861777.db2.gz XPHWVSFKBUHIOI-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO C[C@H](C(=O)N1CC[C@H](F)C1)n1cc[nH+]c1 ZINC001141144632 960885521 /nfs/dbraw/zinc/88/55/21/960885521.db2.gz CELPELHUPWHKKB-BDAKNGLRSA-N 1 2 211.240 1.015 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC001203161165 960990934 /nfs/dbraw/zinc/99/09/34/960990934.db2.gz DOBPOSTXEYRZKQ-ZDUSSCGKSA-N 1 2 243.310 1.888 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC001203161165 960990994 /nfs/dbraw/zinc/99/09/94/960990994.db2.gz DOBPOSTXEYRZKQ-ZDUSSCGKSA-N 1 2 243.310 1.888 20 0 BDADLO O=C1CCN(Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001141242718 961016128 /nfs/dbraw/zinc/01/61/28/961016128.db2.gz FPNJZSSJSPLYHT-UHFFFAOYSA-N 1 2 241.294 1.647 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)C(F)(F)F)C1 ZINC001481578064 961224640 /nfs/dbraw/zinc/22/46/40/961224640.db2.gz YXVVFFQVHPWBQC-LURJTMIESA-N 1 2 224.226 1.005 20 0 BDADLO CCOC(=O)c1c[nH+]c(NC=N)cc1N(C)C ZINC001167864475 961335437 /nfs/dbraw/zinc/33/54/37/961335437.db2.gz NLMSUXJPTSJXQK-UHFFFAOYSA-N 1 2 236.275 1.343 20 0 BDADLO [NH2+]=CNc1cc(O[C@@H]2CCOC2)ccn1 ZINC001167871434 961380093 /nfs/dbraw/zinc/38/00/93/961380093.db2.gz PCPXTOXIXSOURH-SECBINFHSA-N 1 2 207.233 1.268 20 0 BDADLO CC(C)CC(=O)NCCOc1cc[nH+]cc1 ZINC001142714748 961673150 /nfs/dbraw/zinc/67/31/50/961673150.db2.gz AROKFPBFRRPZHC-UHFFFAOYSA-N 1 2 222.288 1.623 20 0 BDADLO c1cc2nonc2c(C[NH+]2CCOCC2)c1 ZINC001203123922 961696071 /nfs/dbraw/zinc/69/60/71/961696071.db2.gz DZASBAWCXZZRFX-UHFFFAOYSA-N 1 2 219.244 1.055 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C(F)(F)F ZINC001142764007 961719687 /nfs/dbraw/zinc/71/96/87/961719687.db2.gz BODKOELCZPQYFX-UHFFFAOYSA-N 1 2 230.189 1.493 20 0 BDADLO F[C@@H]1CN(Cc2cccn3cc[nH+]c23)C[C@H]1F ZINC001142945054 961850913 /nfs/dbraw/zinc/85/09/13/961850913.db2.gz WQEIVZGVDUVITF-GHMZBOCLSA-N 1 2 237.253 1.826 20 0 BDADLO CCN(Cc1cccn2ccnc12)C1C[NH+](C)C1 ZINC001142960870 961858735 /nfs/dbraw/zinc/85/87/35/961858735.db2.gz XYQFJOVHROGCDX-UHFFFAOYSA-N 1 2 244.342 1.470 20 0 BDADLO CC[N@H+](Cc1ccc2nccn2c1)C1COC1 ZINC001143027796 961866903 /nfs/dbraw/zinc/86/69/03/961866903.db2.gz SBQIHQBQYUDHEB-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@@H+](Cc1ccc2nccn2c1)C1COC1 ZINC001143027796 961866906 /nfs/dbraw/zinc/86/69/06/961866906.db2.gz SBQIHQBQYUDHEB-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO c1cn2cc(CN(C3CC3)C3COC3)ccc2[nH+]1 ZINC001143027942 961867191 /nfs/dbraw/zinc/86/71/91/961867191.db2.gz UIBIATBWKDFDMY-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO COC(=O)[C@@H]1CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143021792 961867587 /nfs/dbraw/zinc/86/75/87/961867587.db2.gz GFJGLBCEYQJLIX-NSHDSACASA-N 1 2 245.282 1.082 20 0 BDADLO CN(Cc1ccon1)Cc1ccc2[nH+]ccn2c1 ZINC001143028025 961868879 /nfs/dbraw/zinc/86/88/79/961868879.db2.gz VFZOYZOCGHQWKI-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO CCCOC1C[NH+](Cc2cccc3nonc32)C1 ZINC001203136348 962013450 /nfs/dbraw/zinc/01/34/50/962013450.db2.gz NBWNKKNIHPOWRN-UHFFFAOYSA-N 1 2 247.298 1.834 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccccc1F ZINC001149162938 962047099 /nfs/dbraw/zinc/04/70/99/962047099.db2.gz FBALQEDUHXCIBC-NSHDSACASA-N 1 2 245.257 1.897 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000045858223 962066903 /nfs/dbraw/zinc/06/69/03/962066903.db2.gz UZDVQNMYPPLNCS-UWVGGRQHSA-N 1 2 209.293 1.749 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000045858219 962069390 /nfs/dbraw/zinc/06/93/90/962069390.db2.gz UZDVQNMYPPLNCS-VHSXEESVSA-N 1 2 209.293 1.749 20 0 BDADLO Cc1cc(O)cc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001150597639 962178925 /nfs/dbraw/zinc/17/89/25/962178925.db2.gz IIHJZNIYWYHTCJ-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1cc(O)cc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001150597639 962178938 /nfs/dbraw/zinc/17/89/38/962178938.db2.gz IIHJZNIYWYHTCJ-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO COc1ccc(F)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001151033193 962237982 /nfs/dbraw/zinc/23/79/82/962237982.db2.gz SPBVMMQHWGOLFX-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO CCC(C)(C)C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001268977337 962405120 /nfs/dbraw/zinc/40/51/20/962405120.db2.gz BAXDOYDNUPXKFG-UHFFFAOYSA-N 1 2 210.321 1.339 20 0 BDADLO CCC(C)(C)C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001268977337 962405128 /nfs/dbraw/zinc/40/51/28/962405128.db2.gz BAXDOYDNUPXKFG-UHFFFAOYSA-N 1 2 210.321 1.339 20 0 BDADLO O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950111 962607924 /nfs/dbraw/zinc/60/79/24/962607924.db2.gz BEGNAUHRNNFHKF-JXUBOQSCSA-N 1 2 217.259 1.487 20 0 BDADLO O[C@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950111 962607935 /nfs/dbraw/zinc/60/79/35/962607935.db2.gz BEGNAUHRNNFHKF-JXUBOQSCSA-N 1 2 217.259 1.487 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccc3ocnc3c2)CC1 ZINC000049677280 962650649 /nfs/dbraw/zinc/65/06/49/962650649.db2.gz SWHFFMXFPFYISK-UHFFFAOYSA-N 1 2 245.282 1.215 20 0 BDADLO COc1nscc1C[N@H+](CCCO)C1CC1 ZINC000711525547 962724623 /nfs/dbraw/zinc/72/46/23/962724623.db2.gz LTSQTUIDPPBUDY-UHFFFAOYSA-N 1 2 242.344 1.499 20 0 BDADLO COc1nscc1C[N@@H+](CCCO)C1CC1 ZINC000711525547 962724636 /nfs/dbraw/zinc/72/46/36/962724636.db2.gz LTSQTUIDPPBUDY-UHFFFAOYSA-N 1 2 242.344 1.499 20 0 BDADLO O=C(NC[C@@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC001154526675 962796411 /nfs/dbraw/zinc/79/64/11/962796411.db2.gz ZMPOBYOHFNIHFH-JTQLQIEISA-N 1 2 245.282 1.101 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001154801854 962852150 /nfs/dbraw/zinc/85/21/50/962852150.db2.gz KOHXYXWEERPDCW-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1ccnc(NC[C@H]2C[N@H+](C)CCO2)c1F ZINC001155196959 963015958 /nfs/dbraw/zinc/01/59/58/963015958.db2.gz QXBCAMQPLKLGDN-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)c1F ZINC001155196959 963015973 /nfs/dbraw/zinc/01/59/73/963015973.db2.gz QXBCAMQPLKLGDN-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO CCC(CO)(CO)Nc1cc2cc[nH]c2c[nH+]1 ZINC001167966403 963025287 /nfs/dbraw/zinc/02/52/87/963025287.db2.gz FBPPFTQPCSPMQK-UHFFFAOYSA-N 1 2 235.287 1.108 20 0 BDADLO Cn1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cn1 ZINC001204969860 963108477 /nfs/dbraw/zinc/10/84/77/963108477.db2.gz GVGBRGPFEZANJA-STQMWFEESA-N 1 2 247.342 1.754 20 0 BDADLO Cn1cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cn1 ZINC001204969860 963108482 /nfs/dbraw/zinc/10/84/82/963108482.db2.gz GVGBRGPFEZANJA-STQMWFEESA-N 1 2 247.342 1.754 20 0 BDADLO C=Cc1ccc(NCCCc2c[nH][nH]c2=O)[nH+]c1 ZINC001156284048 963303299 /nfs/dbraw/zinc/30/32/99/963303299.db2.gz CGLQTUUWGFRCKC-LLVKDONJSA-N 1 2 244.298 1.649 20 0 BDADLO CCN(CC)c1cc(N[C@@H](C)CCO)[nH+]cn1 ZINC001156451576 963353533 /nfs/dbraw/zinc/35/35/33/963353533.db2.gz JYRGAFIGPOKFHK-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCN(CC)c1cc(N[C@@H](C)CCO)nc[nH+]1 ZINC001156451576 963353549 /nfs/dbraw/zinc/35/35/49/963353549.db2.gz JYRGAFIGPOKFHK-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C)c[nH+]1 ZINC001156538077 963378283 /nfs/dbraw/zinc/37/82/83/963378283.db2.gz JJHKDKXCTVNGIS-WCBMZHEXSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CCO[C@H]2C)[nH+]1 ZINC001156538077 963378285 /nfs/dbraw/zinc/37/82/85/963378285.db2.gz JJHKDKXCTVNGIS-WCBMZHEXSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cncc(F)c2)c[nH+]1 ZINC001156538041 963380521 /nfs/dbraw/zinc/38/05/21/963380521.db2.gz IJDVXHVQBKGVGM-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cncc(F)c2)[nH+]1 ZINC001156538041 963380530 /nfs/dbraw/zinc/38/05/30/963380530.db2.gz IJDVXHVQBKGVGM-UHFFFAOYSA-N 1 2 248.261 1.436 20 0 BDADLO CCc1[nH]c(CNC(=O)c2coc(C)c2)c[nH+]1 ZINC001156537984 963380906 /nfs/dbraw/zinc/38/09/06/963380906.db2.gz GRAWRGKVGUPASZ-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2coc(C)c2)[nH+]1 ZINC001156537984 963380907 /nfs/dbraw/zinc/38/09/07/963380907.db2.gz GRAWRGKVGUPASZ-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CC[N@H+](CCCC(=O)OC)Cc1cscn1 ZINC001137591240 963415970 /nfs/dbraw/zinc/41/59/70/963415970.db2.gz DXAUVEBJZLDPPB-UHFFFAOYSA-N 1 2 242.344 1.918 20 0 BDADLO CC[N@@H+](CCCC(=O)OC)Cc1cscn1 ZINC001137591240 963415983 /nfs/dbraw/zinc/41/59/83/963415983.db2.gz DXAUVEBJZLDPPB-UHFFFAOYSA-N 1 2 242.344 1.918 20 0 BDADLO Cn1c[nH+]cc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001204383968 963450207 /nfs/dbraw/zinc/45/02/07/963450207.db2.gz PBAKJOVYVGKMDR-SNVBAGLBSA-N 1 2 247.264 1.989 20 0 BDADLO CSc1ccnc(NCc2cc[nH+]c(N)c2)n1 ZINC001156755524 963454965 /nfs/dbraw/zinc/45/49/65/963454965.db2.gz FEHYYMBMUNTEPM-UHFFFAOYSA-N 1 2 247.327 1.788 20 0 BDADLO [NH2+]=CNc1ncnc2cc3c(cc21)OCCO3 ZINC001157073554 963521183 /nfs/dbraw/zinc/52/11/83/963521183.db2.gz RDDYYAJFIYDQLH-UHFFFAOYSA-N 1 2 230.227 1.420 20 0 BDADLO CN(C)c1cc(N(C)Cc2cncs2)nc[nH+]1 ZINC001157083041 963525086 /nfs/dbraw/zinc/52/50/86/963525086.db2.gz JESDGQACOVCSBE-UHFFFAOYSA-N 1 2 249.343 1.636 20 0 BDADLO CN(C)c1cc(N(C)Cc2cncs2)[nH+]cn1 ZINC001157083041 963525097 /nfs/dbraw/zinc/52/50/97/963525097.db2.gz JESDGQACOVCSBE-UHFFFAOYSA-N 1 2 249.343 1.636 20 0 BDADLO CSc1nc(Cl)ncc1NC=[NH2+] ZINC001157078373 963525573 /nfs/dbraw/zinc/52/55/73/963525573.db2.gz KYTPEGPMUWCECE-UHFFFAOYSA-N 1 2 202.670 1.871 20 0 BDADLO C[C@@]1([NH3+])CC[N@H+](Cc2sccc2C(=O)[O-])C1 ZINC001204790549 963576986 /nfs/dbraw/zinc/57/69/86/963576986.db2.gz KNPHBAWFFKCQMJ-LLVKDONJSA-N 1 2 240.328 1.369 20 0 BDADLO C[C@@]1([NH3+])CC[N@@H+](Cc2sccc2C(=O)[O-])C1 ZINC001204790549 963576991 /nfs/dbraw/zinc/57/69/91/963576991.db2.gz KNPHBAWFFKCQMJ-LLVKDONJSA-N 1 2 240.328 1.369 20 0 BDADLO COc1c[nH+]c(NC[C@H]2COCCO2)c(C)c1 ZINC001157481669 963628539 /nfs/dbraw/zinc/62/85/39/963628539.db2.gz BKZYOWVQARHUGR-NSHDSACASA-N 1 2 238.287 1.226 20 0 BDADLO CCC1(Nc2nc(C)[nH+]c3c2CCC3)COC1 ZINC001157540090 963652063 /nfs/dbraw/zinc/65/20/63/963652063.db2.gz LBYODCIGTRZKFI-UHFFFAOYSA-N 1 2 233.315 1.865 20 0 BDADLO C[C@@]1(O)C[C@H](CNc2ccc(Cl)c(N)[nH+]2)C1 ZINC001157561031 963662867 /nfs/dbraw/zinc/66/28/67/963662867.db2.gz WRSOTXGLVIMEDR-DGFRNANFSA-N 1 2 241.722 1.890 20 0 BDADLO Nc1[nH+]c(NC2CSC2)ccc1Cl ZINC001157580735 963668242 /nfs/dbraw/zinc/66/82/42/963668242.db2.gz HAIXONIEJPZKDF-UHFFFAOYSA-N 1 2 215.709 1.845 20 0 BDADLO Cc1cnnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001157580976 963669148 /nfs/dbraw/zinc/66/91/48/963669148.db2.gz SELROAJIKWIUGQ-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cnnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001157580976 963669150 /nfs/dbraw/zinc/66/91/50/963669150.db2.gz SELROAJIKWIUGQ-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO C[C@H]1c2ccccc2CCN1C(=O)C1(F)C[NH2+]C1 ZINC001157693790 963703980 /nfs/dbraw/zinc/70/39/80/963703980.db2.gz DZDPGNCUBULGKC-JTQLQIEISA-N 1 2 248.301 1.444 20 0 BDADLO C[C@@H]1C[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103299 963714613 /nfs/dbraw/zinc/71/46/13/963714613.db2.gz IDEQHGRRGNXMSB-UTLUCORTSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]1C[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103299 963714621 /nfs/dbraw/zinc/71/46/21/963714621.db2.gz IDEQHGRRGNXMSB-UTLUCORTSA-N 1 2 235.274 1.256 20 0 BDADLO CCCCCOC(=O)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168106394 963729279 /nfs/dbraw/zinc/72/92/79/963729279.db2.gz ZEKPHWGESORRJJ-NEPJUHHUSA-N 1 2 243.347 1.877 20 0 BDADLO CSc1nc(NCC2OCCO2)cc(C)[nH+]1 ZINC001158196150 963827008 /nfs/dbraw/zinc/82/70/08/963827008.db2.gz CQQCEQRHPANFDY-UHFFFAOYSA-N 1 2 241.316 1.292 20 0 BDADLO CSCc1ccc(NCC2OCCO2)[nH+]c1 ZINC001158201728 963830553 /nfs/dbraw/zinc/83/05/53/963830553.db2.gz XMSPNQQZDZLRMB-UHFFFAOYSA-N 1 2 240.328 1.729 20 0 BDADLO CCSc1cc[nH+]c(N[C@H]2COC(=O)C2)c1 ZINC001158251576 963839629 /nfs/dbraw/zinc/83/96/29/963839629.db2.gz OQCKITMTRCUTPZ-MRVPVSSYSA-N 1 2 238.312 1.921 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1cnccn1 ZINC001158594845 963893047 /nfs/dbraw/zinc/89/30/47/963893047.db2.gz UTEGXKDOEAIGAY-SECBINFHSA-N 1 2 244.302 1.506 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1cnccn1 ZINC001158594845 963893049 /nfs/dbraw/zinc/89/30/49/963893049.db2.gz UTEGXKDOEAIGAY-SECBINFHSA-N 1 2 244.302 1.506 20 0 BDADLO Cc1c[nH+]c(N2CC3(CN(C)C3)C2)cc1C ZINC001158869202 963947734 /nfs/dbraw/zinc/94/77/34/963947734.db2.gz YIZIPRVHPSWWGF-UHFFFAOYSA-N 1 2 217.316 1.450 20 0 BDADLO Cc1cnc(N2CC3(C2)C[NH+](C)C3)cc1C ZINC001158869202 963947738 /nfs/dbraw/zinc/94/77/38/963947738.db2.gz YIZIPRVHPSWWGF-UHFFFAOYSA-N 1 2 217.316 1.450 20 0 BDADLO CO[C@@H]1COCC[C@H]1Nc1c[nH+]cc(C)c1C ZINC001168194498 963959653 /nfs/dbraw/zinc/95/96/53/963959653.db2.gz HAGRMBDHXFDRDZ-DGCLKSJQSA-N 1 2 236.315 1.914 20 0 BDADLO CCc1nc(N2C[C@H]3CCCC(=O)[C@@H]3C2)cc[nH+]1 ZINC001158999913 963971617 /nfs/dbraw/zinc/97/16/17/963971617.db2.gz IXVZJMQQQDUAPN-GHMZBOCLSA-N 1 2 245.326 1.844 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001159000218 963971707 /nfs/dbraw/zinc/97/17/07/963971707.db2.gz JTHJJVFPGLYFRX-NWDGAFQWSA-N 1 2 245.326 1.899 20 0 BDADLO COc1c[nH+]c(N[C@H]2C[C@@H](CO)C2)c2[nH]ccc21 ZINC001168240022 964035969 /nfs/dbraw/zinc/03/59/69/964035969.db2.gz QUJKQQFTGPAUKO-DTORHVGOSA-N 1 2 247.298 1.754 20 0 BDADLO CCOCC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000093394511 964115233 /nfs/dbraw/zinc/11/52/33/964115233.db2.gz BYRCUXCGYTZYBK-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1cc(NC[C@H]2COCCO2)c[nH+]c1C ZINC001168268051 964145784 /nfs/dbraw/zinc/14/57/84/964145784.db2.gz WTTIVXQNZBJQRP-LBPRGKRZSA-N 1 2 222.288 1.526 20 0 BDADLO Fc1ccnc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095626 964256831 /nfs/dbraw/zinc/25/68/31/964256831.db2.gz QSJHMHKJNYZJTF-UHFFFAOYSA-N 1 2 234.234 1.476 20 0 BDADLO Cn1cc2c(cccc2C[N@@H+]2CCO[C@H]3C[C@H]32)n1 ZINC001142468506 964273985 /nfs/dbraw/zinc/27/39/85/964273985.db2.gz JHLHOEDLZLUBCN-KGLIPLIRSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cc2c(cccc2C[N@H+]2CCO[C@H]3C[C@H]32)n1 ZINC001142468506 964273996 /nfs/dbraw/zinc/27/39/96/964273996.db2.gz JHLHOEDLZLUBCN-KGLIPLIRSA-N 1 2 243.310 1.546 20 0 BDADLO CCC1(Nc2ccc(N(C)C)c[nH+]2)COC1 ZINC001168321495 964441752 /nfs/dbraw/zinc/44/17/52/964441752.db2.gz HGHNETRYYWFBLW-UHFFFAOYSA-N 1 2 221.304 1.739 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1(C)C ZINC001168336011 964473545 /nfs/dbraw/zinc/47/35/45/964473545.db2.gz ATWZSWYLPLSPMJ-UWVGGRQHSA-N 1 2 249.314 1.785 20 0 BDADLO COC(=O)c1ccc(C)cc1COC1C[NH+](C)C1 ZINC001224200402 964513074 /nfs/dbraw/zinc/51/30/74/964513074.db2.gz OIWTZXXIHKZNRV-UHFFFAOYSA-N 1 2 249.310 1.612 20 0 BDADLO CC(=O)NCCNc1ccc(-n2cccc2)c[nH+]1 ZINC001161654791 964667152 /nfs/dbraw/zinc/66/71/52/964667152.db2.gz VBONXCLDOZSAIS-UHFFFAOYSA-N 1 2 244.298 1.420 20 0 BDADLO Cn1cnc(NCCCn2cc[nH+]c2)c1 ZINC001161682392 964683142 /nfs/dbraw/zinc/68/31/42/964683142.db2.gz QAPOVSCSZHILLK-UHFFFAOYSA-N 1 2 205.265 1.119 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)o1 ZINC001142611627 964683290 /nfs/dbraw/zinc/68/32/90/964683290.db2.gz IQSCGXJYKBCQJK-SCZZXKLOSA-N 1 2 241.262 1.856 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)o1 ZINC001142611627 964683298 /nfs/dbraw/zinc/68/32/98/964683298.db2.gz IQSCGXJYKBCQJK-SCZZXKLOSA-N 1 2 241.262 1.856 20 0 BDADLO Cc1cc[nH+]c(NCCc2cnoc2)c1C(N)=O ZINC001161698827 964694196 /nfs/dbraw/zinc/69/41/96/964694196.db2.gz HZZOJXSDLLYJRV-UHFFFAOYSA-N 1 2 246.270 1.132 20 0 BDADLO Cc1cncnc1NC(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142629716 964717799 /nfs/dbraw/zinc/71/77/99/964717799.db2.gz VPDXAPDYHZCOEY-LLVKDONJSA-N 1 2 246.314 1.208 20 0 BDADLO COc1cc[nH+]cc1NCCOC(C)C ZINC001161788793 964756267 /nfs/dbraw/zinc/75/62/67/964756267.db2.gz SNJRQXSUVPDISS-UHFFFAOYSA-N 1 2 210.277 1.927 20 0 BDADLO CSc1cc(NCC2COC2)nc(C)[nH+]1 ZINC001161943754 964821545 /nfs/dbraw/zinc/82/15/45/964821545.db2.gz XXGXFPYRSZPMAG-UHFFFAOYSA-N 1 2 225.317 1.565 20 0 BDADLO c1[nH+]c2c(cc1NCC1COC1)CCC2 ZINC001161949546 964832771 /nfs/dbraw/zinc/83/27/71/964832771.db2.gz WMWKUPXSJBAZMK-UHFFFAOYSA-N 1 2 204.273 1.629 20 0 BDADLO Cc1cc(C)n(CCNc2cc[nH+]c(C)n2)n1 ZINC001162148823 964857402 /nfs/dbraw/zinc/85/74/02/964857402.db2.gz QCRGRLIXALURBP-UHFFFAOYSA-N 1 2 231.303 1.710 20 0 BDADLO O=C1C[C@H](CNc2cc3cc[nH]c3c[nH+]2)CCN1 ZINC001162324483 964928201 /nfs/dbraw/zinc/92/82/01/964928201.db2.gz HMMXZLCDXJRIIX-SECBINFHSA-N 1 2 244.298 1.501 20 0 BDADLO COc1cc[nH+]cc1NC[C@@H]1CCNC(=O)C1 ZINC001162332970 964935935 /nfs/dbraw/zinc/93/59/35/964935935.db2.gz PSXPAYBMUDLGOX-SECBINFHSA-N 1 2 235.287 1.028 20 0 BDADLO CN(C(=O)CCNc1cccc[nH+]1)C1CC1 ZINC001162620369 965081723 /nfs/dbraw/zinc/08/17/23/965081723.db2.gz DROGZPJXWHBBHD-UHFFFAOYSA-N 1 2 219.288 1.504 20 0 BDADLO O=C1NC[C@@H](CNc2cccc(C3CC3)[nH+]2)O1 ZINC001163021060 965235790 /nfs/dbraw/zinc/23/57/90/965235790.db2.gz OYYAIUVAHFCFAQ-SECBINFHSA-N 1 2 233.271 1.479 20 0 BDADLO c1cn2cc(CNc3cccnn3)ccc2[nH+]1 ZINC001163136483 965260709 /nfs/dbraw/zinc/26/07/09/965260709.db2.gz XOSHCJIBPCNTDV-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO CCCC(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001483625831 965296170 /nfs/dbraw/zinc/29/61/70/965296170.db2.gz NKUOUJBHKGMCIJ-QLCVYAKKSA-N 1 2 230.739 1.730 20 0 BDADLO CCCC(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001483625831 965296181 /nfs/dbraw/zinc/29/61/81/965296181.db2.gz NKUOUJBHKGMCIJ-QLCVYAKKSA-N 1 2 230.739 1.730 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2ncc(C)cc2N)[nH]n1 ZINC001163512457 965422652 /nfs/dbraw/zinc/42/26/52/965422652.db2.gz VPJNFXZYSNLVGK-UHFFFAOYSA-N 1 2 245.290 1.035 20 0 BDADLO C=Cc1ccc(N(C(N)=[NH2+])c2cc(C)n[nH]2)nc1 ZINC001163509709 965423218 /nfs/dbraw/zinc/42/32/18/965423218.db2.gz LGOHQLPWLGTEJR-UHFFFAOYSA-N 1 2 242.286 1.788 20 0 BDADLO C=Cc1ccc(N(C(N)=[NH2+])c2cc(C)[nH]n2)nc1 ZINC001163509709 965423224 /nfs/dbraw/zinc/42/32/24/965423224.db2.gz LGOHQLPWLGTEJR-UHFFFAOYSA-N 1 2 242.286 1.788 20 0 BDADLO C[C@@H]1CCCN(c2cc(N3CCC3)[nH+]cn2)C1 ZINC001163537898 965433280 /nfs/dbraw/zinc/43/32/80/965433280.db2.gz BWHDGTOAJXXGIT-LLVKDONJSA-N 1 2 232.331 1.923 20 0 BDADLO C[C@@H]1CCCN(c2cc(N3CCC3)nc[nH+]2)C1 ZINC001163537898 965433293 /nfs/dbraw/zinc/43/32/93/965433293.db2.gz BWHDGTOAJXXGIT-LLVKDONJSA-N 1 2 232.331 1.923 20 0 BDADLO CCN(C)c1[nH+]c(C)cc(C)c1C(=O)OC ZINC001163582830 965461734 /nfs/dbraw/zinc/46/17/34/965461734.db2.gz GMNKGNQJUMTEIR-UHFFFAOYSA-N 1 2 222.288 1.941 20 0 BDADLO CCN(C)c1[nH+]ccc(C)c1NC(C)=O ZINC001163585057 965467580 /nfs/dbraw/zinc/46/75/80/965467580.db2.gz RPLYRUCZHDUESX-UHFFFAOYSA-N 1 2 207.277 1.805 20 0 BDADLO CSc1cc[nH+]c(N2CCn3cnnc3C2)c1 ZINC001163679158 965501164 /nfs/dbraw/zinc/50/11/64/965501164.db2.gz IDHNQLUJMBSLJU-UHFFFAOYSA-N 1 2 247.327 1.415 20 0 BDADLO CNc1ccc(Nc2cccnc2C(N)=O)c[nH+]1 ZINC001203449851 965501321 /nfs/dbraw/zinc/50/13/21/965501321.db2.gz NHIWHVUSQAJKKT-UHFFFAOYSA-N 1 2 243.270 1.361 20 0 BDADLO CC1(C)CN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001163723951 965537842 /nfs/dbraw/zinc/53/78/42/965537842.db2.gz IDTXJNMJUWSASD-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CC1(C)CN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001163723951 965537847 /nfs/dbraw/zinc/53/78/47/965537847.db2.gz IDTXJNMJUWSASD-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CNc1cc[nH+]c(NCCn2cc[nH+]c2C)n1 ZINC001163920167 965631792 /nfs/dbraw/zinc/63/17/92/965631792.db2.gz TVFCONOFTJHJKD-UHFFFAOYSA-N 1 2 232.291 1.135 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@H](F)C[C@H](CO)C1 ZINC001164043471 965713138 /nfs/dbraw/zinc/71/31/38/965713138.db2.gz MQIGLOBXJSSGOP-VHSXEESVSA-N 1 2 242.269 1.686 20 0 BDADLO Cc1nc(N2CC[C@](C)(CO)C2)c(C)c(C)[nH+]1 ZINC001164147299 965760413 /nfs/dbraw/zinc/76/04/13/965760413.db2.gz RIODHNZWUYYPLI-ZDUSSCGKSA-N 1 2 235.331 1.611 20 0 BDADLO O=C1CC[C@H](CNc2cc3cc[nH]c3c[nH+]2)N1 ZINC001164159469 965768605 /nfs/dbraw/zinc/76/86/05/965768605.db2.gz UJWSVYAPVYLLFN-SECBINFHSA-N 1 2 230.271 1.253 20 0 BDADLO Cc1cc(NC[C@H]2CCC(=O)N2)[nH+]c2cc[nH]c21 ZINC001164174406 965775290 /nfs/dbraw/zinc/77/52/90/965775290.db2.gz RRVFLSRMWBFSRD-SECBINFHSA-N 1 2 244.298 1.562 20 0 BDADLO Cc1nc(N2C[C@@H](F)[C@H](F)C2)c2c([nH+]1)CCC2 ZINC001164210334 965795447 /nfs/dbraw/zinc/79/54/47/965795447.db2.gz CMWBTKDZCFPFLR-NXEZZACHSA-N 1 2 239.269 1.770 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@H](O)[C@@H](F)CC1 ZINC001164238978 965807971 /nfs/dbraw/zinc/80/79/71/965807971.db2.gz LRNFCAXQNNLQSY-QWRGUYRKSA-N 1 2 242.269 1.828 20 0 BDADLO CC1(F)CN(c2cc(N)cc(Cl)[nH+]2)C1 ZINC001164585695 965926756 /nfs/dbraw/zinc/92/67/56/965926756.db2.gz BSXXQBJUJDXCQA-UHFFFAOYSA-N 1 2 215.659 1.865 20 0 BDADLO CCN(CC)c1cc(N2CC(C)(F)C2)nc[nH+]1 ZINC001164588967 965928402 /nfs/dbraw/zinc/92/84/02/965928402.db2.gz FLFVJUBTTWJPAY-UHFFFAOYSA-N 1 2 238.310 1.871 20 0 BDADLO CCN(CC)c1cc(N2CC(C)(F)C2)[nH+]cn1 ZINC001164588967 965928409 /nfs/dbraw/zinc/92/84/09/965928409.db2.gz FLFVJUBTTWJPAY-UHFFFAOYSA-N 1 2 238.310 1.871 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)OC ZINC000699576350 965997649 /nfs/dbraw/zinc/99/76/49/965997649.db2.gz WROJEBZQSQLOPF-VWYCJHECSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc2nonc21 ZINC001203138650 966130065 /nfs/dbraw/zinc/13/00/65/966130065.db2.gz WBAWDFRHZIDBFU-QMMMGPOBSA-N 1 2 249.270 1.216 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc2nonc21 ZINC001203138650 966130074 /nfs/dbraw/zinc/13/00/74/966130074.db2.gz WBAWDFRHZIDBFU-QMMMGPOBSA-N 1 2 249.270 1.216 20 0 BDADLO COCCOc1cc(N[C@@H](C)CCO)cc[nH+]1 ZINC001165965881 966216855 /nfs/dbraw/zinc/21/68/55/966216855.db2.gz GQOXFTWTHPNTEX-JTQLQIEISA-N 1 2 240.303 1.290 20 0 BDADLO O=C([C@@H]1C[C@H]1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001123644578 966232878 /nfs/dbraw/zinc/23/28/78/966232878.db2.gz LVHFXYWPASUJGI-IVZWLZJFSA-N 1 2 237.278 1.474 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCNC(=O)C1(C)C ZINC001166606513 966323608 /nfs/dbraw/zinc/32/36/08/966323608.db2.gz LABPKHIGHNSJTM-UHFFFAOYSA-N 1 2 249.314 1.113 20 0 BDADLO CN(C)C(=O)CN(C)c1cccc(C2CC2)[nH+]1 ZINC001166661550 966353151 /nfs/dbraw/zinc/35/31/51/966353151.db2.gz JDZWJNURRHQBLA-UHFFFAOYSA-N 1 2 233.315 1.483 20 0 BDADLO CCN(CC)c1cc(N2C[C@@H]3C[C@H]2CO3)nc[nH+]1 ZINC001166756473 966394248 /nfs/dbraw/zinc/39/42/48/966394248.db2.gz KKLPHHARAMLYMW-QWRGUYRKSA-N 1 2 248.330 1.300 20 0 BDADLO CCN(CC)c1cc(N2C[C@@H]3C[C@H]2CO3)[nH+]cn1 ZINC001166756473 966394259 /nfs/dbraw/zinc/39/42/59/966394259.db2.gz KKLPHHARAMLYMW-QWRGUYRKSA-N 1 2 248.330 1.300 20 0 BDADLO CCc1cn(CC(=O)NCc2cccs2)c[nH+]1 ZINC001166821629 966422012 /nfs/dbraw/zinc/42/20/12/966422012.db2.gz ATHBEBPPNDLWHM-UHFFFAOYSA-N 1 2 249.339 1.823 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCC(=O)C[C@@H]1C ZINC001166932487 966446678 /nfs/dbraw/zinc/44/66/78/966446678.db2.gz OWGBCOOLZULELA-JTQLQIEISA-N 1 2 234.299 1.956 20 0 BDADLO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353383361 966459521 /nfs/dbraw/zinc/45/95/21/966459521.db2.gz FHORVSUGERXYIU-JQWIXIFHSA-N 1 2 245.330 1.662 20 0 BDADLO Nc1cn2ccc(-c3cncc(O)c3)cc2[nH+]1 ZINC001236580606 966461113 /nfs/dbraw/zinc/46/11/13/966461113.db2.gz IZNBCKUACXCAEN-UHFFFAOYSA-N 1 2 226.239 1.684 20 0 BDADLO Cc1cc(N2CC3(CCO3)C2)nc(C(C)C)[nH+]1 ZINC001166942578 966465565 /nfs/dbraw/zinc/46/55/65/966465565.db2.gz XZEFJZICWUXFQZ-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO Nc1ccc(N2CCC(=O)C(F)(F)C2)[nH+]c1 ZINC001166974372 966493449 /nfs/dbraw/zinc/49/34/49/966493449.db2.gz KCWRAFWQESPXHG-UHFFFAOYSA-N 1 2 227.214 1.078 20 0 BDADLO Cc1noc(Nc2ccc(C)[nH+]c2C)c1C(N)=O ZINC001203367173 966616892 /nfs/dbraw/zinc/61/68/92/966616892.db2.gz JEVQJMWAZHYJEU-UHFFFAOYSA-N 1 2 246.270 1.837 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC001485574391 966617311 /nfs/dbraw/zinc/61/73/11/966617311.db2.gz RBQCJFBJSRDORA-VHSXEESVSA-N 1 2 248.317 1.531 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC001485574391 966617317 /nfs/dbraw/zinc/61/73/17/966617317.db2.gz RBQCJFBJSRDORA-VHSXEESVSA-N 1 2 248.317 1.531 20 0 BDADLO COc1ccccc1C[N@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001203425281 966644154 /nfs/dbraw/zinc/64/41/54/966644154.db2.gz INBSBBIEAYQRSR-WCQYABFASA-N 1 2 239.290 1.864 20 0 BDADLO COc1ccccc1C[N@@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001203425281 966644164 /nfs/dbraw/zinc/64/41/64/966644164.db2.gz INBSBBIEAYQRSR-WCQYABFASA-N 1 2 239.290 1.864 20 0 BDADLO CNc1ccc(Nc2cc[nH]c(=O)c2)c[nH+]1 ZINC001203449029 966647286 /nfs/dbraw/zinc/64/72/86/966647286.db2.gz WMXPZXOSVVBYSV-UHFFFAOYSA-N 1 2 216.244 1.968 20 0 BDADLO CNc1ccc(Nc2cccc(C(N)=O)c2)c[nH+]1 ZINC001203454311 966651799 /nfs/dbraw/zinc/65/17/99/966651799.db2.gz BDKUGVYRLIWGDH-UHFFFAOYSA-N 1 2 242.282 1.966 20 0 BDADLO CC(C)c1cccc(C[NH+]2CC(O)C2)c1 ZINC001237455603 966658486 /nfs/dbraw/zinc/65/84/86/966658486.db2.gz AAOSZLWBXVXHHH-UHFFFAOYSA-N 1 2 205.301 1.987 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)[C@H](F)C1 ZINC001237596835 966670225 /nfs/dbraw/zinc/67/02/25/966670225.db2.gz IOCKXLCCWVHUOW-SNVBAGLBSA-N 1 2 225.267 1.016 20 0 BDADLO CCc1[nH]ncc1C[N@H+](C)C[C@H]1CCCCO1 ZINC001237651517 966680355 /nfs/dbraw/zinc/68/03/55/966680355.db2.gz TXGOMJGPCHMOFQ-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC001237651517 966680361 /nfs/dbraw/zinc/68/03/61/966680361.db2.gz TXGOMJGPCHMOFQ-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO CCOc1ccccc1C[N@H+](C)C1COC1 ZINC001203541642 966682194 /nfs/dbraw/zinc/68/21/94/966682194.db2.gz ZSBBAURWPCMTJX-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCOc1ccccc1C[N@@H+](C)C1COC1 ZINC001203541642 966682200 /nfs/dbraw/zinc/68/22/00/966682200.db2.gz ZSBBAURWPCMTJX-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001203545965 966683033 /nfs/dbraw/zinc/68/30/33/966683033.db2.gz XZAPQFWIWCQFRS-KBPBESRZSA-N 1 2 246.354 1.974 20 0 BDADLO CCOc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001203545965 966683037 /nfs/dbraw/zinc/68/30/37/966683037.db2.gz XZAPQFWIWCQFRS-KBPBESRZSA-N 1 2 246.354 1.974 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2c(N)cnn2C)c1 ZINC001203657021 966715780 /nfs/dbraw/zinc/71/57/80/966715780.db2.gz GTOZAWCIYTVQMB-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cn1nncc1C[N@H+](C)C/C=C/c1ccccc1 ZINC001238167604 966726864 /nfs/dbraw/zinc/72/68/64/966726864.db2.gz SZKPLMXBNFJWLA-RMKNXTFCSA-N 1 2 242.326 1.960 20 0 BDADLO Cn1nncc1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001238167604 966726875 /nfs/dbraw/zinc/72/68/75/966726875.db2.gz SZKPLMXBNFJWLA-RMKNXTFCSA-N 1 2 242.326 1.960 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccc(O)c2)C1 ZINC001203862476 966800262 /nfs/dbraw/zinc/80/02/62/966800262.db2.gz KGCIHWSXLPJZOC-UHFFFAOYSA-N 1 2 235.283 1.387 20 0 BDADLO C/C=C(/C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107674801 966815884 /nfs/dbraw/zinc/81/58/84/966815884.db2.gz SHYVAXBAKUGDHF-HYHWUIIZSA-N 1 2 248.330 1.668 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1C ZINC001203899620 966818513 /nfs/dbraw/zinc/81/85/13/966818513.db2.gz QVCSYJBFABYMGN-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1C ZINC001203899620 966818517 /nfs/dbraw/zinc/81/85/17/966818517.db2.gz QVCSYJBFABYMGN-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO O[C@]1(CF)CC[N@H+](Cc2cccs2)C[C@@H]1F ZINC001204014007 966852545 /nfs/dbraw/zinc/85/25/45/966852545.db2.gz CPQSGQZIRDGDOF-QWRGUYRKSA-N 1 2 247.310 1.993 20 0 BDADLO O[C@]1(CF)CC[N@@H+](Cc2cccs2)C[C@@H]1F ZINC001204014007 966852547 /nfs/dbraw/zinc/85/25/47/966852547.db2.gz CPQSGQZIRDGDOF-QWRGUYRKSA-N 1 2 247.310 1.993 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccc3c(c2)OCO3)C1 ZINC001204051458 966871534 /nfs/dbraw/zinc/87/15/34/966871534.db2.gz RZHZZHKBQKEWTD-UHFFFAOYSA-N 1 2 249.266 1.020 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@H]1F ZINC001204228132 966933304 /nfs/dbraw/zinc/93/33/04/966933304.db2.gz UBPACBCYHKVTHM-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@H]1F ZINC001204228132 966933313 /nfs/dbraw/zinc/93/33/13/966933313.db2.gz UBPACBCYHKVTHM-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(C)c(C)o1 ZINC001204530466 967006052 /nfs/dbraw/zinc/00/60/52/967006052.db2.gz FLJINSWZSISEJM-UHFFFAOYSA-N 1 2 224.304 1.464 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)c(C)o1 ZINC001204530466 967006063 /nfs/dbraw/zinc/00/60/63/967006063.db2.gz FLJINSWZSISEJM-UHFFFAOYSA-N 1 2 224.304 1.464 20 0 BDADLO COC1C[NH+](Cc2cccc(F)c2C)C1 ZINC001204506223 967014168 /nfs/dbraw/zinc/01/41/68/967014168.db2.gz FSHMJSKBDDTMKJ-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)oc1C ZINC001204532828 967028158 /nfs/dbraw/zinc/02/81/58/967028158.db2.gz GPQUFPLLMHGCSS-UHFFFAOYSA-N 1 2 224.304 1.416 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)oc1C ZINC001204532828 967028166 /nfs/dbraw/zinc/02/81/66/967028166.db2.gz GPQUFPLLMHGCSS-UHFFFAOYSA-N 1 2 224.304 1.416 20 0 BDADLO c1csc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001204545410 967038231 /nfs/dbraw/zinc/03/82/31/967038231.db2.gz RTXTVXCAVDWLQX-ZJUUUORDSA-N 1 2 224.329 1.754 20 0 BDADLO c1csc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001204545410 967038243 /nfs/dbraw/zinc/03/82/43/967038243.db2.gz RTXTVXCAVDWLQX-ZJUUUORDSA-N 1 2 224.329 1.754 20 0 BDADLO Nc1cccc2cn(-c3ccc[nH+]c3N)nc21 ZINC001212400278 967046155 /nfs/dbraw/zinc/04/61/55/967046155.db2.gz VKIBWLPIQIIFLV-UHFFFAOYSA-N 1 2 225.255 1.585 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc2c(c1)OCCN2C ZINC001239612968 967052438 /nfs/dbraw/zinc/05/24/38/967052438.db2.gz VGUKXQJTLRCZDP-OXWOXFIQSA-N 1 2 231.299 1.786 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)C[C@@H]1C ZINC001204587931 967073209 /nfs/dbraw/zinc/07/32/09/967073209.db2.gz NYJCVXJJEQPDAP-QMMMGPOBSA-N 1 2 207.277 1.272 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)[C@@H](C)C1 ZINC001204588227 967078828 /nfs/dbraw/zinc/07/88/28/967078828.db2.gz WEPKDUABHPPAQZ-QMMMGPOBSA-N 1 2 207.277 1.129 20 0 BDADLO Cc1[nH+]c[nH]c1CN(C)Cc1cnc(C)nc1 ZINC001204593882 967092893 /nfs/dbraw/zinc/09/28/93/967092893.db2.gz ZVRZXEIWDXCGGI-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO O=c1[nH]cc(Nc2ccn3cc[nH+]c3c2)c(=O)[nH]1 ZINC001204959102 967258231 /nfs/dbraw/zinc/25/82/31/967258231.db2.gz FMLQBKCRAVOTAX-UHFFFAOYSA-N 1 2 243.226 1.279 20 0 BDADLO CNc1ccc(Nc2ccnc(OC)n2)c[nH+]1 ZINC001203447714 967269946 /nfs/dbraw/zinc/26/99/46/967269946.db2.gz OAXJMWMGUJMTTQ-UHFFFAOYSA-N 1 2 231.259 1.666 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnn(C)c1)C2 ZINC001205015260 967291565 /nfs/dbraw/zinc/29/15/65/967291565.db2.gz IITFMQWWPHHGKA-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnn(C)c1)C2 ZINC001205015260 967291572 /nfs/dbraw/zinc/29/15/72/967291572.db2.gz IITFMQWWPHHGKA-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001205103368 967346355 /nfs/dbraw/zinc/34/63/55/967346355.db2.gz BZIULZPBLYXCMT-VIFPVBQESA-N 1 2 247.264 1.989 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001205103368 967346370 /nfs/dbraw/zinc/34/63/70/967346370.db2.gz BZIULZPBLYXCMT-VIFPVBQESA-N 1 2 247.264 1.989 20 0 BDADLO CCNC(=O)Cc1ccc2[nH+]ccn2c1 ZINC001250137314 967421450 /nfs/dbraw/zinc/42/14/50/967421450.db2.gz UJYQMJBGMJWTNS-UHFFFAOYSA-N 1 2 203.245 1.013 20 0 BDADLO Fc1cc(CC[NH+]2CCOCC2)cc2n[nH]cc21 ZINC001250276259 967608019 /nfs/dbraw/zinc/60/80/19/967608019.db2.gz BBEDWIYUJCRPFY-UHFFFAOYSA-N 1 2 249.289 1.577 20 0 BDADLO OCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000084989566 967636747 /nfs/dbraw/zinc/63/67/47/967636747.db2.gz IYRGQYUTPGGCIS-UHFFFAOYSA-N 1 2 213.227 1.389 20 0 BDADLO COc1ccc2cc(NCC(N)=O)[nH+]cc2c1 ZINC001161837848 967666769 /nfs/dbraw/zinc/66/67/69/967666769.db2.gz QZMAIJWCKRJLQW-UHFFFAOYSA-N 1 2 231.255 1.141 20 0 BDADLO CCCn1cc(CCn2cc[nH+]c2)cn1 ZINC001250315111 967681182 /nfs/dbraw/zinc/68/11/82/967681182.db2.gz FPNNJAYJCRKKSI-UHFFFAOYSA-N 1 2 204.277 1.732 20 0 BDADLO FC(F)(F)c1ncc(CCn2cc[nH+]c2)cn1 ZINC001250318653 967684813 /nfs/dbraw/zinc/68/48/13/967684813.db2.gz IUAZWABHXLTWBR-UHFFFAOYSA-N 1 2 242.204 1.935 20 0 BDADLO CC[NH+]1CC(OCc2c(C)noc2C)C1 ZINC001205689133 967775691 /nfs/dbraw/zinc/77/56/91/967775691.db2.gz GJKOAYILHHCLDN-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO c1nocc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC001205724163 967802275 /nfs/dbraw/zinc/80/22/75/967802275.db2.gz HQWWLCANUVNEDG-UHFFFAOYSA-N 1 2 238.287 1.056 20 0 BDADLO c1nocc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC001205724163 967802277 /nfs/dbraw/zinc/80/22/77/967802277.db2.gz HQWWLCANUVNEDG-UHFFFAOYSA-N 1 2 238.287 1.056 20 0 BDADLO Cc1cnccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001205872424 967868642 /nfs/dbraw/zinc/86/86/42/967868642.db2.gz CUVCXRUBNZWPKP-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cnccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001205872424 967868645 /nfs/dbraw/zinc/86/86/45/967868645.db2.gz CUVCXRUBNZWPKP-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2C)n(C)n1 ZINC001205883056 967872440 /nfs/dbraw/zinc/87/24/40/967872440.db2.gz YGXIUGBNCKNIMP-ZJUUUORDSA-N 1 2 211.284 1.661 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)n(C)n1 ZINC001205883056 967872441 /nfs/dbraw/zinc/87/24/41/967872441.db2.gz YGXIUGBNCKNIMP-ZJUUUORDSA-N 1 2 211.284 1.661 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cccnc3C2)n(C)n1 ZINC001205928080 967889394 /nfs/dbraw/zinc/88/93/94/967889394.db2.gz MPVPQRUOCXAMOK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cccnc3C2)n(C)n1 ZINC001205928080 967889396 /nfs/dbraw/zinc/88/93/96/967889396.db2.gz MPVPQRUOCXAMOK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Fc1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001250477204 967912999 /nfs/dbraw/zinc/91/29/99/967912999.db2.gz NJEDOAVLNHULAF-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1sc(C)nc1C ZINC001206144495 968087164 /nfs/dbraw/zinc/08/71/64/968087164.db2.gz QOJSYNPIZAQWQZ-UHFFFAOYSA-N 1 2 212.318 1.781 20 0 BDADLO CC(=O)C[N@H+](C)Cc1sc(C)nc1C ZINC001206144495 968087175 /nfs/dbraw/zinc/08/71/75/968087175.db2.gz QOJSYNPIZAQWQZ-UHFFFAOYSA-N 1 2 212.318 1.781 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001118304602 968115419 /nfs/dbraw/zinc/11/54/19/968115419.db2.gz NYKREDKPYUPUIQ-ZDUSSCGKSA-N 1 2 248.326 1.823 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001118304602 968115429 /nfs/dbraw/zinc/11/54/29/968115429.db2.gz NYKREDKPYUPUIQ-ZDUSSCGKSA-N 1 2 248.326 1.823 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2cnccc2C1)C(F)(F)F ZINC001250957166 968223621 /nfs/dbraw/zinc/22/36/21/968223621.db2.gz HWYBMMUSROBTOH-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO O[C@@H](C[N@H+]1CCc2cnccc2C1)C(F)(F)F ZINC001250957166 968223628 /nfs/dbraw/zinc/22/36/28/968223628.db2.gz HWYBMMUSROBTOH-JTQLQIEISA-N 1 2 246.232 1.363 20 0 BDADLO CCc1nc(N2CCC(=O)[C@H](C)CC2)cc[nH+]1 ZINC001164369106 968226258 /nfs/dbraw/zinc/22/62/58/968226258.db2.gz URBKFZVDADKGTI-SNVBAGLBSA-N 1 2 233.315 1.844 20 0 BDADLO COc1cc[nH+]cc1NCCCc1c[nH][nH]c1=O ZINC001164373900 968229822 /nfs/dbraw/zinc/22/98/22/968229822.db2.gz DGURCLVDXUEHPL-VIFPVBQESA-N 1 2 248.286 1.014 20 0 BDADLO O[C@@H](CNc1cccc2[nH+]c[nH]c21)C(F)(F)F ZINC001250979966 968232342 /nfs/dbraw/zinc/23/23/42/968232342.db2.gz TUUBOTSAOKYMKN-QMMMGPOBSA-N 1 2 245.204 1.898 20 0 BDADLO C[C@H](C(=O)NCC(C)(C)F)n1cc[nH+]c1 ZINC001118980607 968259243 /nfs/dbraw/zinc/25/92/43/968259243.db2.gz NUWBRQDXOVBWLB-MRVPVSSYSA-N 1 2 213.256 1.308 20 0 BDADLO O[C@H](CNc1cc[nH+]nc1)COc1ccccc1 ZINC001251154344 968272805 /nfs/dbraw/zinc/27/28/05/968272805.db2.gz VTQWRQRPTNAVGZ-GFCCVEGCSA-N 1 2 245.282 1.328 20 0 BDADLO COc1c[nH+]c(N[C@H](C)CCO)c2[nH]ccc21 ZINC001165866380 968299912 /nfs/dbraw/zinc/29/99/12/968299912.db2.gz GOOLUMUWBNPDRV-MRVPVSSYSA-N 1 2 235.287 1.754 20 0 BDADLO CCOc1cc(NC[C@H](O)CC)cc[nH+]1 ZINC001251759105 968315882 /nfs/dbraw/zinc/31/58/82/968315882.db2.gz GGDFCXXGBSZZSG-SNVBAGLBSA-N 1 2 210.277 1.663 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001251780386 968318961 /nfs/dbraw/zinc/31/89/61/968318961.db2.gz LROWSBMMZJYDRA-CHWSQXEVSA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001251780386 968318970 /nfs/dbraw/zinc/31/89/70/968318970.db2.gz LROWSBMMZJYDRA-CHWSQXEVSA-N 1 2 236.315 1.226 20 0 BDADLO COc1cnccc1C[N@@H+]1CCCC12COC2 ZINC001206473217 968331103 /nfs/dbraw/zinc/33/11/03/968331103.db2.gz FGLWEFGQMGWZJU-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cnccc1C[N@H+]1CCCC12COC2 ZINC001206473217 968331108 /nfs/dbraw/zinc/33/11/08/968331108.db2.gz FGLWEFGQMGWZJU-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO C[C@@H]1C(=O)NCCN1c1ccc(C(C)(C)C)c[nH+]1 ZINC001166562433 968335364 /nfs/dbraw/zinc/33/53/64/968335364.db2.gz SQXVKDMKPAFWLS-SNVBAGLBSA-N 1 2 247.342 1.704 20 0 BDADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+]C[C@H](O)CC ZINC001251808663 968343411 /nfs/dbraw/zinc/34/34/11/968343411.db2.gz QJFAVUKQUUUYHS-VXGBXAGGSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cc2[nH+]ccn2cc1-c1cnn(CCO)c1 ZINC001206570637 968391137 /nfs/dbraw/zinc/39/11/37/968391137.db2.gz BTRCJZMDGULLCT-UHFFFAOYSA-N 1 2 242.282 1.499 20 0 BDADLO CCOC(=O)[C@H](CC1CCC1)[NH2+]C[C@H](C)O ZINC001251971407 968412246 /nfs/dbraw/zinc/41/22/46/968412246.db2.gz FTPCQYMVNLETIS-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO CNc1ccc(-n2ccc(N)c3ccnc2-3)c[nH+]1 ZINC001203449060 968439141 /nfs/dbraw/zinc/43/91/41/968439141.db2.gz YEDJBZFFWKLSDZ-UHFFFAOYSA-N 1 2 239.282 1.996 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1Nc1cnc[nH]c1=O ZINC001206729574 968444922 /nfs/dbraw/zinc/44/49/22/968444922.db2.gz LRWOIOLWHQSMNF-UHFFFAOYSA-N 1 2 245.286 1.695 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@](C)(O)C2)cs1 ZINC001206798125 968483208 /nfs/dbraw/zinc/48/32/08/968483208.db2.gz BOOGUULECYSDBD-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@](C)(O)C2)cs1 ZINC001206798125 968483212 /nfs/dbraw/zinc/48/32/12/968483212.db2.gz BOOGUULECYSDBD-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001206820105 968490073 /nfs/dbraw/zinc/49/00/73/968490073.db2.gz AZSBWAYQJFNQNS-JTQLQIEISA-N 1 2 208.261 1.394 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001206820105 968490078 /nfs/dbraw/zinc/49/00/78/968490078.db2.gz AZSBWAYQJFNQNS-JTQLQIEISA-N 1 2 208.261 1.394 20 0 BDADLO COC(=O)C1C[NH+](Cc2scnc2C)C1 ZINC001206863269 968506214 /nfs/dbraw/zinc/50/62/14/968506214.db2.gz LQZGSLFUAGRJCQ-UHFFFAOYSA-N 1 2 226.301 1.056 20 0 BDADLO [NH3+][C@]1(c2nc(-c3ccccc3F)no2)CCOC1 ZINC000085852107 968509035 /nfs/dbraw/zinc/50/90/35/968509035.db2.gz HCFSVIVNNGVYKC-GFCCVEGCSA-N 1 2 249.245 1.450 20 0 BDADLO [NH3+][C@]1(c2nc(-c3ccccc3)no2)CCOC1 ZINC000085850454 968509597 /nfs/dbraw/zinc/50/95/97/968509597.db2.gz CDRDQRVNZLCGPS-GFCCVEGCSA-N 1 2 231.255 1.311 20 0 BDADLO C/C=C/[C@@H](O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000822523493 968520330 /nfs/dbraw/zinc/52/03/30/968520330.db2.gz OKMXKGNYVSYYAX-ZYOFXKKJSA-N 1 2 234.299 1.252 20 0 BDADLO Fc1ccc(C[NH+]2CC3(C2)CCCOC3)nc1 ZINC001207037905 968570616 /nfs/dbraw/zinc/57/06/16/968570616.db2.gz BYSRPPOXGLLGTB-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO c1nc(C[NH+]2CC(C3COC3)C2)n2ccccc12 ZINC001207049063 968580770 /nfs/dbraw/zinc/58/07/70/968580770.db2.gz NVRDKGMMMUJOTH-UHFFFAOYSA-N 1 2 243.310 1.413 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048809 968581741 /nfs/dbraw/zinc/58/17/41/968581741.db2.gz KPSGGPDVSCCQCE-GFCCVEGCSA-N 1 2 231.299 1.555 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048809 968581751 /nfs/dbraw/zinc/58/17/51/968581751.db2.gz KPSGGPDVSCCQCE-GFCCVEGCSA-N 1 2 231.299 1.555 20 0 BDADLO CCCC[C@@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252117313 968601463 /nfs/dbraw/zinc/60/14/63/968601463.db2.gz TZLIYUJHCUCPMZ-SNVBAGLBSA-N 1 2 239.319 1.508 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cccc(=O)[nH]1)C2 ZINC001207074124 968609953 /nfs/dbraw/zinc/60/99/53/968609953.db2.gz VEGFBTDLFKCDNX-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO CCc1nccc(C[N@@H+]2CCC[C@@H](F)C2)n1 ZINC001207085913 968619739 /nfs/dbraw/zinc/61/97/39/968619739.db2.gz IFFMDMPCLVBWAH-SNVBAGLBSA-N 1 2 223.295 1.973 20 0 BDADLO CCc1nccc(C[N@H+]2CCC[C@@H](F)C2)n1 ZINC001207085913 968619745 /nfs/dbraw/zinc/61/97/45/968619745.db2.gz IFFMDMPCLVBWAH-SNVBAGLBSA-N 1 2 223.295 1.973 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(C)CC2)[nH+]c1C ZINC000825106546 968634579 /nfs/dbraw/zinc/63/45/79/968634579.db2.gz ASKUMCYIZZBKNB-UHFFFAOYSA-N 1 2 207.277 1.443 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000825662699 968652479 /nfs/dbraw/zinc/65/24/79/968652479.db2.gz VPXWOAFFKAOGNJ-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001207140884 968653369 /nfs/dbraw/zinc/65/33/69/968653369.db2.gz BQAQGQCNORTAPK-OLZOCXBDSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001207140884 968653375 /nfs/dbraw/zinc/65/33/75/968653375.db2.gz BQAQGQCNORTAPK-OLZOCXBDSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000825662708 968653635 /nfs/dbraw/zinc/65/36/35/968653635.db2.gz VPXWOAFFKAOGNJ-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCn2nccc2C1 ZINC001207174830 968680499 /nfs/dbraw/zinc/68/04/99/968680499.db2.gz GLPLGGXMIYSUNK-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCn2nccc2C1 ZINC001207174830 968680506 /nfs/dbraw/zinc/68/05/06/968680506.db2.gz GLPLGGXMIYSUNK-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO C=Cc1nc2[nH]cc(C(=O)OC)c2c[nH+]1 ZINC001240828204 968701535 /nfs/dbraw/zinc/70/15/35/968701535.db2.gz ZAUNTTPZRMIUFN-UHFFFAOYSA-N 1 2 203.201 1.339 20 0 BDADLO Cc1[nH]c(CNC(=O)C[C@H]2CCOC2)[nH+]c1C ZINC000827847625 968714914 /nfs/dbraw/zinc/71/49/14/968714914.db2.gz BHPIBPZEYKMRBW-SNVBAGLBSA-N 1 2 237.303 1.069 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001207409138 968754193 /nfs/dbraw/zinc/75/41/93/968754193.db2.gz RZTSXCXUSQLJJG-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO CCOC(=O)C[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001207409138 968754204 /nfs/dbraw/zinc/75/42/04/968754204.db2.gz RZTSXCXUSQLJJG-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO COc1cccc(CC[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC001207428190 968765867 /nfs/dbraw/zinc/76/58/67/968765867.db2.gz YDHNPSRNEPWFLM-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(CC[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC001207428190 968765871 /nfs/dbraw/zinc/76/58/71/968765871.db2.gz YDHNPSRNEPWFLM-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](CCO)C1CC1 ZINC000828757306 968808755 /nfs/dbraw/zinc/80/87/55/968808755.db2.gz MYNSYMXSFLWJMM-UHFFFAOYSA-N 1 2 243.738 1.582 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000828757306 968808759 /nfs/dbraw/zinc/80/87/59/968808759.db2.gz MYNSYMXSFLWJMM-UHFFFAOYSA-N 1 2 243.738 1.582 20 0 BDADLO Fc1ccc(CC[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001207516736 968815986 /nfs/dbraw/zinc/81/59/86/968815986.db2.gz IMSFQOJFANDZKV-OLZOCXBDSA-N 1 2 221.275 1.841 20 0 BDADLO Fc1ccc(CC[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001207516736 968815988 /nfs/dbraw/zinc/81/59/88/968815988.db2.gz IMSFQOJFANDZKV-OLZOCXBDSA-N 1 2 221.275 1.841 20 0 BDADLO CC(=O)NC1C[NH+](CCc2ccc(F)cc2)C1 ZINC001207515078 968816273 /nfs/dbraw/zinc/81/62/73/968816273.db2.gz ITZSRUYWHKSDQS-UHFFFAOYSA-N 1 2 236.290 1.189 20 0 BDADLO Cc1nc2c(o1)CC[N@H+](CC1(C)COC1)C2 ZINC001207799046 968890081 /nfs/dbraw/zinc/89/00/81/968890081.db2.gz OAMNPUYKZHMMSY-UHFFFAOYSA-N 1 2 222.288 1.378 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+](CC1(C)COC1)C2 ZINC001207799046 968890090 /nfs/dbraw/zinc/89/00/90/968890090.db2.gz OAMNPUYKZHMMSY-UHFFFAOYSA-N 1 2 222.288 1.378 20 0 BDADLO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)nc1 ZINC001207887450 968915144 /nfs/dbraw/zinc/91/51/44/968915144.db2.gz JHBGHCPBQXOTSK-JSGCOSHPSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)nc1 ZINC001207887450 968915152 /nfs/dbraw/zinc/91/51/52/968915152.db2.gz JHBGHCPBQXOTSK-JSGCOSHPSA-N 1 2 248.326 1.634 20 0 BDADLO Cc1cc(F)cnc1NC[C@H]1C[N@H+](C)CCO1 ZINC001155193404 968921597 /nfs/dbraw/zinc/92/15/97/968921597.db2.gz GMZYBODJSHGXBU-NSHDSACASA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(F)cnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001155193404 968921604 /nfs/dbraw/zinc/92/16/04/968921604.db2.gz GMZYBODJSHGXBU-NSHDSACASA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CCNC(=O)[C@H]2C)o1 ZINC001207948109 968946262 /nfs/dbraw/zinc/94/62/62/968946262.db2.gz NQPCLHUWEAYFNT-LLVKDONJSA-N 1 2 236.315 1.341 20 0 BDADLO Cc1ccc(CCC[N@H+]2CCNC(=O)[C@H]2C)o1 ZINC001207948109 968946268 /nfs/dbraw/zinc/94/62/68/968946268.db2.gz NQPCLHUWEAYFNT-LLVKDONJSA-N 1 2 236.315 1.341 20 0 BDADLO CC1(C[N@@H+]2CC(F)(F)C[C@H]2CO)CCOCC1 ZINC001207963052 968960882 /nfs/dbraw/zinc/96/08/82/968960882.db2.gz ARVZDTANMHASLW-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CC1(C[N@H+]2CC(F)(F)C[C@H]2CO)CCOCC1 ZINC001207963052 968960887 /nfs/dbraw/zinc/96/08/87/968960887.db2.gz ARVZDTANMHASLW-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CC1(C[N@@H+]2CCn3ccnc3C2)CCOCC1 ZINC001207967414 968964831 /nfs/dbraw/zinc/96/48/31/968964831.db2.gz OUULAFYPZIQJQJ-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CC1(C[N@H+]2CCn3ccnc3C2)CCOCC1 ZINC001207967414 968964836 /nfs/dbraw/zinc/96/48/36/968964836.db2.gz OUULAFYPZIQJQJ-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001252789647 968969959 /nfs/dbraw/zinc/96/99/59/968969959.db2.gz WVISDMZGDQXVNM-CYBMUJFWSA-N 1 2 235.327 1.962 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001252789647 968969966 /nfs/dbraw/zinc/96/99/66/968969966.db2.gz WVISDMZGDQXVNM-CYBMUJFWSA-N 1 2 235.327 1.962 20 0 BDADLO CN(C)CC[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001208127250 969018362 /nfs/dbraw/zinc/01/83/62/969018362.db2.gz VBHXUUFSJOQDSB-OAHLLOKOSA-N 1 2 248.370 1.839 20 0 BDADLO CN(C)CC[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001208127250 969018380 /nfs/dbraw/zinc/01/83/80/969018380.db2.gz VBHXUUFSJOQDSB-OAHLLOKOSA-N 1 2 248.370 1.839 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000381361817 969162991 /nfs/dbraw/zinc/16/29/91/969162991.db2.gz DFZZRNLUSXGFFI-LLVKDONJSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1nc(NC[C@@H](O)COC(C)(C)C)cc[nH+]1 ZINC001253440584 969173850 /nfs/dbraw/zinc/17/38/50/969173850.db2.gz ARPOCWRZHHCURN-SNVBAGLBSA-N 1 2 239.319 1.373 20 0 BDADLO O=C1C[N@H+](CCC2CC2)CCN1c1ccccn1 ZINC001208686559 969196096 /nfs/dbraw/zinc/19/60/96/969196096.db2.gz NLWJAAGSRAZTQO-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO O=C1C[N@@H+](CCC2CC2)CCN1c1ccccn1 ZINC001208686559 969196099 /nfs/dbraw/zinc/19/60/99/969196099.db2.gz NLWJAAGSRAZTQO-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO Cc1cc(N=C2CC[NH+](C)CC2)nn1C ZINC001208718064 969204923 /nfs/dbraw/zinc/20/49/23/969204923.db2.gz JFZOIIFVMJQJFP-UHFFFAOYSA-N 1 2 206.293 1.360 20 0 BDADLO CCCCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001253552252 969223783 /nfs/dbraw/zinc/22/37/83/969223783.db2.gz WCMUFZIXMCTSKY-LLVKDONJSA-N 1 2 245.363 1.859 20 0 BDADLO c1ccc(NCCn2nnc3ccccc32)[nH+]c1 ZINC001168924477 969283421 /nfs/dbraw/zinc/28/34/21/969283421.db2.gz ZCAQWUCLIRNUGA-UHFFFAOYSA-N 1 2 239.282 1.938 20 0 BDADLO CCOC1C[NH+](C[C@@H](C)C(F)(F)F)C1 ZINC001208896860 969285698 /nfs/dbraw/zinc/28/56/98/969285698.db2.gz XRNOCBMNINKSFR-SSDOTTSWSA-N 1 2 211.227 1.906 20 0 BDADLO CC[C@@](C)(NCc1[nH]c(C)c(C)[nH+]1)C(=O)OC ZINC001168950328 969288774 /nfs/dbraw/zinc/28/87/74/969288774.db2.gz SPDSSPGFOZZWSK-GFCCVEGCSA-N 1 2 239.319 1.458 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(NCCC(N)=O)c1 ZINC001168961481 969313699 /nfs/dbraw/zinc/31/36/99/969313699.db2.gz HZTSXZLRAXTCIG-UHFFFAOYSA-N 1 2 244.298 1.374 20 0 BDADLO C[C@H](c1nc(-c2ccccn2)no1)n1cc[nH+]c1 ZINC000349796506 969314963 /nfs/dbraw/zinc/31/49/63/969314963.db2.gz MSPDOAPUDMJOLF-SECBINFHSA-N 1 2 241.254 1.937 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001253671760 969325472 /nfs/dbraw/zinc/32/54/72/969325472.db2.gz POABLIUOWRWXKS-GFCCVEGCSA-N 1 2 237.274 1.918 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001253671760 969325478 /nfs/dbraw/zinc/32/54/78/969325478.db2.gz POABLIUOWRWXKS-GFCCVEGCSA-N 1 2 237.274 1.918 20 0 BDADLO Cc1nc2c(ccn2C)c(NCC2OCCO2)[nH+]1 ZINC001169062431 969376094 /nfs/dbraw/zinc/37/60/94/969376094.db2.gz KARXNOZHOTZACG-UHFFFAOYSA-N 1 2 248.286 1.062 20 0 BDADLO CC(C)[C@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001253765451 969383762 /nfs/dbraw/zinc/38/37/62/969383762.db2.gz WYWHYXDIEVFAFN-SECBINFHSA-N 1 2 235.274 1.113 20 0 BDADLO CC(C)[C@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001253767754 969388132 /nfs/dbraw/zinc/38/81/32/969388132.db2.gz NZDQWOYAEJZANJ-CYBMUJFWSA-N 1 2 235.327 1.818 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001253767754 969388136 /nfs/dbraw/zinc/38/81/36/969388136.db2.gz NZDQWOYAEJZANJ-CYBMUJFWSA-N 1 2 235.327 1.818 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)C1CCCC1 ZINC001253784120 969404714 /nfs/dbraw/zinc/40/47/14/969404714.db2.gz STMQINKDSIQAID-RYUDHWBXSA-N 1 2 243.347 1.325 20 0 BDADLO CCCCS(=O)(=O)Nc1cc[nH+]c(CO)c1 ZINC001253786946 969406574 /nfs/dbraw/zinc/40/65/74/969406574.db2.gz OQGWEJYHTQLCMD-UHFFFAOYSA-N 1 2 244.316 1.116 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC001253787620 969406946 /nfs/dbraw/zinc/40/69/46/969406946.db2.gz DYPXMHGWMWIMIH-RYUDHWBXSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2COC(=O)C2)c1C ZINC001169122037 969421128 /nfs/dbraw/zinc/42/11/28/969421128.db2.gz XHRCOPDNTDTTIP-SECBINFHSA-N 1 2 206.245 1.426 20 0 BDADLO CCCn1c[nH+]cc1CN(C)CC(=O)OCC ZINC000090236485 969426098 /nfs/dbraw/zinc/42/60/98/969426098.db2.gz ZTCXBQDOGJQFMV-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO C[NH+](C)Cc1cn([C@H]2CCCCC[C@H]2O)nn1 ZINC001254130058 969519107 /nfs/dbraw/zinc/51/91/07/969519107.db2.gz UXZMFTCUYVMSPX-NWDGAFQWSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1nc2ccccc2c1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001209532459 969534358 /nfs/dbraw/zinc/53/43/58/969534358.db2.gz AEPCARKOZAPGSX-GXFFZTMASA-N 1 2 249.289 1.088 20 0 BDADLO Cn1nc2ccccc2c1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001209532459 969534362 /nfs/dbraw/zinc/53/43/62/969534362.db2.gz AEPCARKOZAPGSX-GXFFZTMASA-N 1 2 249.289 1.088 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1c2ccccc2nn1C ZINC001209533969 969534662 /nfs/dbraw/zinc/53/46/62/969534662.db2.gz GMPBVFKGSPTULF-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1c2ccccc2nn1C ZINC001209533969 969534666 /nfs/dbraw/zinc/53/46/66/969534666.db2.gz GMPBVFKGSPTULF-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001209555258 969542249 /nfs/dbraw/zinc/54/22/49/969542249.db2.gz XTIMFVLHDPZBLI-QWRGUYRKSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001209555258 969542251 /nfs/dbraw/zinc/54/22/51/969542251.db2.gz XTIMFVLHDPZBLI-QWRGUYRKSA-N 1 2 227.283 1.013 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)[nH]2)C[C@@H]1F ZINC001209566616 969548175 /nfs/dbraw/zinc/54/81/75/969548175.db2.gz ONFAKDXWZGAEFM-QWRGUYRKSA-N 1 2 212.268 1.492 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)[nH]2)C[C@@H]1F ZINC001209566616 969548183 /nfs/dbraw/zinc/54/81/83/969548183.db2.gz ONFAKDXWZGAEFM-QWRGUYRKSA-N 1 2 212.268 1.492 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)no1 ZINC001209570400 969554305 /nfs/dbraw/zinc/55/43/05/969554305.db2.gz USIMMRVDDQOWCI-LLVKDONJSA-N 1 2 246.270 1.118 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)no1 ZINC001209570400 969554310 /nfs/dbraw/zinc/55/43/10/969554310.db2.gz USIMMRVDDQOWCI-LLVKDONJSA-N 1 2 246.270 1.118 20 0 BDADLO C[C@]1(F)CCCC[N@@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001254332519 969566429 /nfs/dbraw/zinc/56/64/29/969566429.db2.gz XJHMNPVEPWETAP-QWRGUYRKSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@]1(F)CCCC[N@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001254332519 969566438 /nfs/dbraw/zinc/56/64/38/969566438.db2.gz XJHMNPVEPWETAP-QWRGUYRKSA-N 1 2 249.351 1.388 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCOC1 ZINC001254363692 969576636 /nfs/dbraw/zinc/57/66/36/969576636.db2.gz CUEMGKNNNRWUCE-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO c1cc([C@@H]2C[N@H+]([C@H]3CCCOC3)CCO2)ccn1 ZINC001254385893 969603181 /nfs/dbraw/zinc/60/31/81/969603181.db2.gz KEOLOQWRXUVARN-KBPBESRZSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)ccn1 ZINC001254385893 969603183 /nfs/dbraw/zinc/60/31/83/969603183.db2.gz KEOLOQWRXUVARN-KBPBESRZSA-N 1 2 248.326 1.634 20 0 BDADLO [NH3+]CCONc1cc(-c2ccc(F)cc2)ncn1 ZINC001156293645 969603739 /nfs/dbraw/zinc/60/37/39/969603739.db2.gz NKWFWAGJHZPSAT-UHFFFAOYSA-N 1 2 248.261 1.585 20 0 BDADLO CC[N@H+](Cc1ccncc1)Cc1cnccn1 ZINC001209781301 969611833 /nfs/dbraw/zinc/61/18/33/969611833.db2.gz GRZXXGSCMJOVHQ-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1ccncc1)Cc1cnccn1 ZINC001209781301 969611845 /nfs/dbraw/zinc/61/18/45/969611845.db2.gz GRZXXGSCMJOVHQ-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO O=c1[nH]cncc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209847759 969661956 /nfs/dbraw/zinc/66/19/56/969661956.db2.gz HMILCKXPKOGLJC-UHFFFAOYSA-N 1 2 227.227 1.802 20 0 BDADLO COc1ccc(CNc2cccc[nH+]2)nn1 ZINC001169463885 969665547 /nfs/dbraw/zinc/66/55/47/969665547.db2.gz VNWIIEXMZAQKEF-UHFFFAOYSA-N 1 2 216.244 1.492 20 0 BDADLO CCCCOC1C[NH+]([C@H]2CCN(C(C)=O)C2)C1 ZINC001169552521 969743620 /nfs/dbraw/zinc/74/36/20/969743620.db2.gz PXWQIHCBXJILPC-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1nccc2cc[nH]c21 ZINC001169655501 969800567 /nfs/dbraw/zinc/80/05/67/969800567.db2.gz HBCWDHRHRXFKHR-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1nccc2cc[nH]c21 ZINC001169655501 969800570 /nfs/dbraw/zinc/80/05/70/969800570.db2.gz HBCWDHRHRXFKHR-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO O=C1SCC[C@@H]1[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254839613 969801814 /nfs/dbraw/zinc/80/18/14/969801814.db2.gz UOMJKSINIQUDKM-MNOVXSKESA-N 1 2 240.372 1.092 20 0 BDADLO CCn1nccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210284519 969851044 /nfs/dbraw/zinc/85/10/44/969851044.db2.gz IAQDPDTXUPKVSU-UHFFFAOYSA-N 1 2 217.276 1.932 20 0 BDADLO Cc1[nH+]cc(-n2cc(N)c3cccnc32)cc1N ZINC001210286623 969855185 /nfs/dbraw/zinc/85/51/85/969855185.db2.gz AXUJMIUSTPYREU-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO COCn1cc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210289188 969855981 /nfs/dbraw/zinc/85/59/81/969855981.db2.gz XWIPVQQLAWLUGP-UHFFFAOYSA-N 1 2 233.275 1.516 20 0 BDADLO COCCn1cnc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210288592 969856958 /nfs/dbraw/zinc/85/69/58/969856958.db2.gz LHGCDTYWGOGQGD-UHFFFAOYSA-N 1 2 247.302 1.559 20 0 BDADLO Cc1[nH+]cc(Nc2cncc(O)c2)cc1N ZINC001210287658 969857327 /nfs/dbraw/zinc/85/73/27/969857327.db2.gz ZFOANGNEUSJTTA-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO OC[C@H]1C[N@@H+](C2CCOCC2)CC(F)(F)C1 ZINC001255038171 969860015 /nfs/dbraw/zinc/86/00/15/969860015.db2.gz FBYNEVLYFHOICR-SECBINFHSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1C[N@H+](C2CCOCC2)CC(F)(F)C1 ZINC001255038171 969860018 /nfs/dbraw/zinc/86/00/18/969860018.db2.gz FBYNEVLYFHOICR-SECBINFHSA-N 1 2 235.274 1.115 20 0 BDADLO C=CC(=O)NCC[NH2+]c1ccc(N)c(C)c1 ZINC001169806827 969864729 /nfs/dbraw/zinc/86/47/29/969864729.db2.gz BMLHVWJTUZWAAQ-UHFFFAOYSA-N 1 2 219.288 1.291 20 0 BDADLO CCOc1cc[nH+]cc1Nc1ccn(C)n1 ZINC001210347001 969873885 /nfs/dbraw/zinc/87/38/85/969873885.db2.gz FLYXFOXSMNYBGY-UHFFFAOYSA-N 1 2 218.260 1.957 20 0 BDADLO COc1cc[nH+]c(Nc2cncc(N)c2)c1 ZINC001210435331 969886518 /nfs/dbraw/zinc/88/65/18/969886518.db2.gz DUNSTQYUHOOPEP-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO CCOC(=O)C1([NH2+]C2CCSCC2)CCC1 ZINC001255083576 969916746 /nfs/dbraw/zinc/91/67/46/969916746.db2.gz ZBNYKTYUZGVFGW-UHFFFAOYSA-N 1 2 243.372 1.957 20 0 BDADLO COc1ncc(F)c(NCc2cc[nH+]c(N)c2)n1 ZINC001156756687 969994662 /nfs/dbraw/zinc/99/46/62/969994662.db2.gz DAEAWKBGCWYDMQ-UHFFFAOYSA-N 1 2 249.249 1.214 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+][C@H]1CCSC1 ZINC001255269643 970020290 /nfs/dbraw/zinc/02/02/90/970020290.db2.gz MTXSUHHSMBUJAJ-QMMMGPOBSA-N 1 2 217.334 1.423 20 0 BDADLO COc1cc(Nc2cncc(N)n2)cc(C)[nH+]1 ZINC001210773757 970024460 /nfs/dbraw/zinc/02/44/60/970024460.db2.gz FCOWQGCCJWVFOO-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO CC(C)(C)CN1CC[NH2+]CC(F)(F)C1 ZINC001210815607 970048201 /nfs/dbraw/zinc/04/82/01/970048201.db2.gz XIKDNEXOQAAMHS-UHFFFAOYSA-N 1 2 206.280 1.573 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)N(C)C(=O)C2 ZINC001243069647 970258302 /nfs/dbraw/zinc/25/83/02/970258302.db2.gz IYTLADXBMPPFLT-UHFFFAOYSA-N 1 2 227.267 1.606 20 0 BDADLO Cn1c[nH+]cc1-c1cccc([C@H]2CNC(=O)C2)c1 ZINC001243068835 970262833 /nfs/dbraw/zinc/26/28/33/970262833.db2.gz HWYUZURTLHAWCA-GFCCVEGCSA-N 1 2 241.294 1.691 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(-c2nc[nH]n2)cc1 ZINC001243069103 970263104 /nfs/dbraw/zinc/26/31/04/970263104.db2.gz PMTMNXVWLUSMKB-UHFFFAOYSA-N 1 2 225.255 1.872 20 0 BDADLO Cc1cc(C)c(Nc2cnn(C)c2C(N)=O)c[nH+]1 ZINC001213505787 970328578 /nfs/dbraw/zinc/32/85/78/970328578.db2.gz PPTNNUJCBQTAKH-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO Cc1c[nH+]cc(N(C)c2nccnc2N)c1C ZINC001213524621 970348384 /nfs/dbraw/zinc/34/83/84/970348384.db2.gz AKQCILJQGPSASS-UHFFFAOYSA-N 1 2 229.287 1.839 20 0 BDADLO C[C@@H](Cc1ccccc1F)[NH+]1CC(O)C1 ZINC001255842186 970511354 /nfs/dbraw/zinc/51/13/54/970511354.db2.gz PPKZMJYIWXBSCH-VIFPVBQESA-N 1 2 209.264 1.433 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)Cc1ccccc1F ZINC001255854760 970524520 /nfs/dbraw/zinc/52/45/20/970524520.db2.gz RIFIPSFFNLFKDW-SNVBAGLBSA-N 1 2 239.290 1.862 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)Cc1ccccc1F ZINC001255854760 970524526 /nfs/dbraw/zinc/52/45/26/970524526.db2.gz RIFIPSFFNLFKDW-SNVBAGLBSA-N 1 2 239.290 1.862 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001609888122 970584896 /nfs/dbraw/zinc/58/48/96/970584896.db2.gz DLOKHTUTWCLFEA-ZYHUDNBSSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001609888122 970584901 /nfs/dbraw/zinc/58/49/01/970584901.db2.gz DLOKHTUTWCLFEA-ZYHUDNBSSA-N 1 2 240.347 1.456 20 0 BDADLO Nc1ccc(CNC(=O)CCC2CC2)c[nH+]1 ZINC000400841742 970634283 /nfs/dbraw/zinc/63/42/83/970634283.db2.gz IXTAIZYMGMFVNK-UHFFFAOYSA-N 1 2 219.288 1.301 20 0 BDADLO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001170227843 970636303 /nfs/dbraw/zinc/63/63/03/970636303.db2.gz QCPWSXIFRYKRIJ-HBNTYKKESA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001170227843 970636312 /nfs/dbraw/zinc/63/63/12/970636312.db2.gz QCPWSXIFRYKRIJ-HBNTYKKESA-N 1 2 249.301 1.646 20 0 BDADLO CN1CCC([NH2+]CC(=O)c2ccc(O)cc2)CC1 ZINC001256201713 970693124 /nfs/dbraw/zinc/69/31/24/970693124.db2.gz PQPLVVUAHXSMIL-UHFFFAOYSA-N 1 2 248.326 1.259 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)[nH]n1 ZINC001256332474 970738597 /nfs/dbraw/zinc/73/85/97/970738597.db2.gz PXMSYBDWVKURMH-GXFFZTMASA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)[nH]n1 ZINC001256332474 970738604 /nfs/dbraw/zinc/73/86/04/970738604.db2.gz PXMSYBDWVKURMH-GXFFZTMASA-N 1 2 235.331 1.717 20 0 BDADLO Cc1c(O)cccc1C[NH+]1CCOCC1 ZINC001144103442 972573037 /nfs/dbraw/zinc/57/30/37/972573037.db2.gz BRDDXZLLKMMTMI-UHFFFAOYSA-N 1 2 207.273 1.533 20 0 BDADLO CCC[C@@H](CC(=O)OC)OCc1c[nH+]cn1C ZINC001222594258 972590676 /nfs/dbraw/zinc/59/06/76/972590676.db2.gz CYPXXQXNUPZSDA-NSHDSACASA-N 1 2 240.303 1.669 20 0 BDADLO CCCCOC(=O)[C@@H](C)OCc1c[nH+]cn1C ZINC001222594021 972590742 /nfs/dbraw/zinc/59/07/42/972590742.db2.gz BPQDGQHVNJNNTC-SNVBAGLBSA-N 1 2 240.303 1.669 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1CCOC(C)(C)C1 ZINC001222599832 972599086 /nfs/dbraw/zinc/59/90/86/972599086.db2.gz GRONWMPPPBIWEW-LLVKDONJSA-N 1 2 224.304 1.894 20 0 BDADLO CC(=O)O[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144149561 972629939 /nfs/dbraw/zinc/62/99/39/972629939.db2.gz SYOPXUJVSCEMTE-QMMMGPOBSA-N 1 2 247.254 1.224 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144168828 972663206 /nfs/dbraw/zinc/66/32/06/972663206.db2.gz MLGGAQSDKCQRIR-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO CC(C)C[C@@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001144168161 972664419 /nfs/dbraw/zinc/66/44/19/972664419.db2.gz RORCEYJNUCXLFM-LLVKDONJSA-N 1 2 247.298 1.680 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cncnc2C)nn1 ZINC001327605446 972665054 /nfs/dbraw/zinc/66/50/54/972665054.db2.gz FZQUSUWXKSNGLO-VIFPVBQESA-N 1 2 246.318 1.247 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cncnc2C)nn1 ZINC001327605445 972665928 /nfs/dbraw/zinc/66/59/28/972665928.db2.gz FZQUSUWXKSNGLO-SECBINFHSA-N 1 2 246.318 1.247 20 0 BDADLO CC[N@H+](Cc1[nH]nc2ccc(F)cc21)C1COC1 ZINC001144199370 972670875 /nfs/dbraw/zinc/67/08/75/972670875.db2.gz FJFRPVGKUZJRLI-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO CC[N@@H+](Cc1[nH]nc2ccc(F)cc21)C1COC1 ZINC001144199370 972670882 /nfs/dbraw/zinc/67/08/82/972670882.db2.gz FJFRPVGKUZJRLI-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196307 972672514 /nfs/dbraw/zinc/67/25/14/972672514.db2.gz BMJTZKOWEVRVAZ-VIFPVBQESA-N 1 2 249.289 1.516 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144196307 972672519 /nfs/dbraw/zinc/67/25/19/972672519.db2.gz BMJTZKOWEVRVAZ-VIFPVBQESA-N 1 2 249.289 1.516 20 0 BDADLO CN1CC2(C1)C[NH+](Cc1ccc3cc[nH]c3n1)C2 ZINC001144187189 972676584 /nfs/dbraw/zinc/67/65/84/972676584.db2.gz WRVHTABKUBSOCB-UHFFFAOYSA-N 1 2 242.326 1.310 20 0 BDADLO CCc1[nH]nc(NC(=O)[C@H](C)n2cc[nH+]c2)c1C ZINC001327648372 972685547 /nfs/dbraw/zinc/68/55/47/972685547.db2.gz MDQZQDPHPZFHGG-VIFPVBQESA-N 1 2 247.302 1.677 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1[nH]nc2ccc(F)cc21 ZINC001144205952 972693166 /nfs/dbraw/zinc/69/31/66/972693166.db2.gz RKPWMHJDYWZSDI-SNVBAGLBSA-N 1 2 249.289 1.923 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1[nH]nc2ccc(F)cc21 ZINC001144205952 972693173 /nfs/dbraw/zinc/69/31/73/972693173.db2.gz RKPWMHJDYWZSDI-SNVBAGLBSA-N 1 2 249.289 1.923 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cn1 ZINC001144269369 972731504 /nfs/dbraw/zinc/73/15/04/972731504.db2.gz LXIIHZFDNHKJCO-LBPRGKRZSA-N 1 2 220.272 1.341 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)cn1 ZINC001144269369 972731515 /nfs/dbraw/zinc/73/15/15/972731515.db2.gz LXIIHZFDNHKJCO-LBPRGKRZSA-N 1 2 220.272 1.341 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001327790939 972732273 /nfs/dbraw/zinc/73/22/73/972732273.db2.gz FJUPDQKTXYJJKO-GZMMTYOYSA-N 1 2 246.318 1.116 20 0 BDADLO COC(=O)C[C@H](C)Nc1[nH+]ccc(F)c1C ZINC001160533487 972741316 /nfs/dbraw/zinc/74/13/16/972741316.db2.gz QRAPTMGSMIOTFV-ZETCQYMHSA-N 1 2 226.251 1.893 20 0 BDADLO COCc1nnc(C[NH2+]CCC(C)C)[nH]1 ZINC001327892426 972792460 /nfs/dbraw/zinc/79/24/60/972792460.db2.gz RWNBAJYMSXZDMA-UHFFFAOYSA-N 1 2 212.297 1.087 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1Cc2cccnc2C1 ZINC001327918132 972810124 /nfs/dbraw/zinc/81/01/24/972810124.db2.gz URDWJWBSISVOAQ-UHFFFAOYSA-N 1 2 242.282 1.211 20 0 BDADLO C[C@@H](CC(=O)NC1C[NH+](C)C1)c1ccccc1 ZINC001144430080 972815294 /nfs/dbraw/zinc/81/52/94/972815294.db2.gz MVOSVDHNMKMQMR-NSHDSACASA-N 1 2 232.327 1.610 20 0 BDADLO CC/C=C\CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001328064814 972866193 /nfs/dbraw/zinc/86/61/93/972866193.db2.gz LAVFFMUSSSQXCR-LWTINBJPSA-N 1 2 207.277 1.527 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ncn3ccccc23)CC[C@H]1F ZINC001144611234 972885127 /nfs/dbraw/zinc/88/51/27/972885127.db2.gz KZLGDSADJYJNQY-ZWNOBZJWSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ncn3ccccc23)CC[C@H]1F ZINC001144611234 972885137 /nfs/dbraw/zinc/88/51/37/972885137.db2.gz KZLGDSADJYJNQY-ZWNOBZJWSA-N 1 2 249.289 1.239 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC001328159530 972885667 /nfs/dbraw/zinc/88/56/67/972885667.db2.gz ZTFYDLIFPNDFIJ-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC001328159530 972885670 /nfs/dbraw/zinc/88/56/70/972885670.db2.gz ZTFYDLIFPNDFIJ-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO OC[C@H]1CCCCN1Cc1[nH+]cn2ccccc12 ZINC001144611646 972890306 /nfs/dbraw/zinc/89/03/06/972890306.db2.gz SQQQIUJSXXVBHB-GFCCVEGCSA-N 1 2 245.326 1.681 20 0 BDADLO C[C@H]1C[C@H](O)CCN1Cc1[nH+]cn2ccccc12 ZINC001144624677 972891261 /nfs/dbraw/zinc/89/12/61/972891261.db2.gz PSUOPUCLBIPTFI-NWDGAFQWSA-N 1 2 245.326 1.680 20 0 BDADLO C[C@@]1(O)CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144621863 972894170 /nfs/dbraw/zinc/89/41/70/972894170.db2.gz AHLMNUCMYJNUOG-CQSZACIVSA-N 1 2 245.326 1.681 20 0 BDADLO C[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C[C@H]1O ZINC001144616085 972894747 /nfs/dbraw/zinc/89/47/47/972894747.db2.gz MXOCPNCAYYWTBS-BXUZGUMPSA-N 1 2 245.326 1.537 20 0 BDADLO c1[nH+]c(CN2CCC3(COC3)C2)c2ccccn12 ZINC001144616094 972895172 /nfs/dbraw/zinc/89/51/72/972895172.db2.gz NFXXNQFXAHVPBE-UHFFFAOYSA-N 1 2 243.310 1.557 20 0 BDADLO CCN(C(=O)C1=CCCCC1)C1C[NH+](C)C1 ZINC001146716603 973228296 /nfs/dbraw/zinc/22/82/96/973228296.db2.gz FBRRRCUYQBWSKI-UHFFFAOYSA-N 1 2 222.332 1.649 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]c3c2CCC3)c[nH]1 ZINC001146863041 973274637 /nfs/dbraw/zinc/27/46/37/973274637.db2.gz DRTKTGBZVOKCPF-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc[nH]c1 ZINC001146884305 973314354 /nfs/dbraw/zinc/31/43/54/973314354.db2.gz PNYZLWZXNNPPEG-UHFFFAOYSA-N 1 2 226.239 1.915 20 0 BDADLO Cn1ccc(C(=O)Nc2cc[nH+]c3c2CCC3)c1 ZINC001147002364 973352061 /nfs/dbraw/zinc/35/20/61/973352061.db2.gz CYVPXUQJLXSEQO-UHFFFAOYSA-N 1 2 241.294 1.583 20 0 BDADLO CC[NH+]1CC(O[C@@H](C)c2nccs2)C1 ZINC001224004695 973395479 /nfs/dbraw/zinc/39/54/79/973395479.db2.gz XDAGOVTXVMOLNA-QMMMGPOBSA-N 1 2 212.318 1.925 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001328993061 973419776 /nfs/dbraw/zinc/41/97/76/973419776.db2.gz QUMAHLGDCGYGAH-KXMPLOMGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001328993061 973419787 /nfs/dbraw/zinc/41/97/87/973419787.db2.gz QUMAHLGDCGYGAH-KXMPLOMGSA-N 1 2 220.320 1.983 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccnnc1 ZINC001147193729 973461281 /nfs/dbraw/zinc/46/12/81/973461281.db2.gz VBFLRZODKDAHII-UHFFFAOYSA-N 1 2 240.266 1.035 20 0 BDADLO O=C(C[C@@H]1CCCOC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001329104249 973485247 /nfs/dbraw/zinc/48/52/47/973485247.db2.gz FSGYGGARTDNHQL-WDEREUQCSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cnc[nH]1 ZINC001147260244 973499903 /nfs/dbraw/zinc/49/99/03/973499903.db2.gz XNKRICKRHXVHOY-UHFFFAOYSA-N 1 2 245.286 1.261 20 0 BDADLO CCO[C@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC001329224093 973575152 /nfs/dbraw/zinc/57/51/52/973575152.db2.gz VTHZPCSCVJTHRZ-GZMMTYOYSA-N 1 2 239.319 1.844 20 0 BDADLO CC(C)(C(=O)N1CCC1(C)C)c1c[nH+]c[nH]1 ZINC001147456241 973634863 /nfs/dbraw/zinc/63/48/63/973634863.db2.gz KTNOSJWIHILJKK-UHFFFAOYSA-N 1 2 221.304 1.698 20 0 BDADLO CCN(C(=O)c1cnoc1C1CC1)C1C[NH+](C)C1 ZINC001147659751 973707449 /nfs/dbraw/zinc/70/74/49/973707449.db2.gz CYTOXEMAGIURBG-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cnoc1C1CC1 ZINC001147650343 973723160 /nfs/dbraw/zinc/72/31/60/973723160.db2.gz MRXRBTOLJUWXQL-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO CCc1cc(C(=O)NC2C[NH+](C)C2)cs1 ZINC001147714156 973738676 /nfs/dbraw/zinc/73/86/76/973738676.db2.gz OQJKAAHSEPFTLE-UHFFFAOYSA-N 1 2 224.329 1.354 20 0 BDADLO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)OC(C)C ZINC001329597588 973845757 /nfs/dbraw/zinc/84/57/57/973845757.db2.gz SPMGVYUIRRDMOV-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H](C(=O)NC1(C2CCC2)CC1)n1cc[nH+]c1 ZINC001329746813 973909604 /nfs/dbraw/zinc/90/96/04/973909604.db2.gz WBDMCNYORIYPHO-JTQLQIEISA-N 1 2 233.315 1.893 20 0 BDADLO c1coc(C2CC[NH+](Cc3ncccn3)CC2)n1 ZINC000585576946 973927128 /nfs/dbraw/zinc/92/71/28/973927128.db2.gz IQNNMPVLCRQSIA-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO Cn1cc(C[NH+]2CCC(c3ncco3)CC2)nn1 ZINC000585577104 973928785 /nfs/dbraw/zinc/92/87/85/973928785.db2.gz NALZYCGCPMIIBU-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO C[C@H](C(=O)Nc1nc(C2CC2)c[nH]1)n1cc[nH+]c1 ZINC001329813956 973945934 /nfs/dbraw/zinc/94/59/34/973945934.db2.gz CICIFPJJXOBOAW-MRVPVSSYSA-N 1 2 245.286 1.683 20 0 BDADLO CC/C(C)=C\C(=O)NCc1c[nH+]cn1C ZINC001329891666 974012243 /nfs/dbraw/zinc/01/22/43/974012243.db2.gz OEIKGGHXALLHCS-UITAMQMPSA-N 1 2 207.277 1.393 20 0 BDADLO Cc1nc(NCCNC(=O)CC(C)C)cc[nH+]1 ZINC001093453999 974019780 /nfs/dbraw/zinc/01/97/80/974019780.db2.gz SJQUVOVNIJXGPJ-UHFFFAOYSA-N 1 2 236.319 1.359 20 0 BDADLO O=C(NCCC1CCC1)N1CCn2c[nH+]cc2C1 ZINC001330536091 974300568 /nfs/dbraw/zinc/30/05/68/974300568.db2.gz KPGLTKKQGBUURB-UHFFFAOYSA-N 1 2 248.330 1.599 20 0 BDADLO COC1(C[NH2+][C@H](C)c2noc(C)n2)CCC1 ZINC001330578961 974327659 /nfs/dbraw/zinc/32/76/59/974327659.db2.gz QKELZWQKDIBVGM-MRVPVSSYSA-N 1 2 225.292 1.598 20 0 BDADLO CCCOC(=O)[C@@H](C)Oc1cc[nH+]cc1 ZINC001225291370 974366329 /nfs/dbraw/zinc/36/63/29/974366329.db2.gz UASDAIIERDVYRC-SECBINFHSA-N 1 2 209.245 1.802 20 0 BDADLO Cc1ncccc1OC1C[NH+](C(C)C)C1 ZINC001225346489 974424831 /nfs/dbraw/zinc/42/48/31/974424831.db2.gz RRWBPFIITIYCNT-UHFFFAOYSA-N 1 2 206.289 1.861 20 0 BDADLO Cc1ccnc(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001225353287 974438536 /nfs/dbraw/zinc/43/85/36/974438536.db2.gz YJSVRYHUQWNWSS-NSHDSACASA-N 1 2 222.288 1.099 20 0 BDADLO Cc1ccnc(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001225353287 974438537 /nfs/dbraw/zinc/43/85/37/974438537.db2.gz YJSVRYHUQWNWSS-NSHDSACASA-N 1 2 222.288 1.099 20 0 BDADLO CC(C)OC(=O)C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172227917 974464133 /nfs/dbraw/zinc/46/41/33/974464133.db2.gz BNSTUEQIOWLBGK-FGWVZKOKSA-N 1 2 225.288 1.014 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c(C)n1 ZINC001225430410 974486023 /nfs/dbraw/zinc/48/60/23/974486023.db2.gz AXFMYBVBYKJLPX-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c(C)n1 ZINC001225430410 974486029 /nfs/dbraw/zinc/48/60/29/974486029.db2.gz AXFMYBVBYKJLPX-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO FC1(F)C[NH2+]CCN(C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172238171 974499583 /nfs/dbraw/zinc/49/95/83/974499583.db2.gz LDELRINAMQWLQN-FGWVZKOKSA-N 1 2 244.285 1.013 20 0 BDADLO C[N@H+](CC(F)F)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242065 974507625 /nfs/dbraw/zinc/50/76/25/974507625.db2.gz DUXVDSSDYDLZMY-CBLAIPOGSA-N 1 2 203.232 1.669 20 0 BDADLO C[N@@H+](CC(F)F)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242065 974507632 /nfs/dbraw/zinc/50/76/32/974507632.db2.gz DUXVDSSDYDLZMY-CBLAIPOGSA-N 1 2 203.232 1.669 20 0 BDADLO COC(=O)NC1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001330868329 974512754 /nfs/dbraw/zinc/51/27/54/974512754.db2.gz WSRVBGTVNDMZCX-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CC[NH+]1CC(Oc2cnc(CF)nc2)C1 ZINC001225533112 974544852 /nfs/dbraw/zinc/54/48/52/974544852.db2.gz HDYOIAZLQFMUAU-UHFFFAOYSA-N 1 2 211.240 1.029 20 0 BDADLO CCOC(=O)C[N@H+](CC)[C@@H]1COC(C)(C)C1 ZINC001172294455 974561767 /nfs/dbraw/zinc/56/17/67/974561767.db2.gz ZGRXDBLNEGXZSS-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCc1nc(N(CC)CCC(=O)OC)cc[nH+]1 ZINC001331132323 974613693 /nfs/dbraw/zinc/61/36/93/974613693.db2.gz QKIGMWQRUDOFOJ-UHFFFAOYSA-N 1 2 237.303 1.428 20 0 BDADLO c1ccc(C[NH+]2CC(Oc3cccnn3)C2)cc1 ZINC001225654121 974625931 /nfs/dbraw/zinc/62/59/31/974625931.db2.gz RBNBZMBXEMFNPX-UHFFFAOYSA-N 1 2 241.294 1.740 20 0 BDADLO C[C@@H](C(=O)N1CC2(C1)CCOCC2)n1cc[nH+]c1 ZINC001331156682 974626417 /nfs/dbraw/zinc/62/64/17/974626417.db2.gz UORINBQVFSXMOQ-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO C[C@@H]1CC[C@H]([NH+]2CC(F)(CO)C2)C[C@H]1C ZINC001172365004 974643622 /nfs/dbraw/zinc/64/36/22/974643622.db2.gz HTKVPLFFQWARDV-MXWKQRLJSA-N 1 2 215.312 1.827 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@H]1CCn2c[nH+]cc21 ZINC001331224392 974650832 /nfs/dbraw/zinc/65/08/32/974650832.db2.gz GYPMORBCEZODBN-MNOVXSKESA-N 1 2 231.299 1.800 20 0 BDADLO COCC1(N(C)C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001331245897 974658587 /nfs/dbraw/zinc/65/85/87/974658587.db2.gz RUEJSGCIDCQNNU-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO CCOCC[C@@H](C)[NH2+]CC(=O)OC(C)C ZINC001172407337 974666749 /nfs/dbraw/zinc/66/67/49/974666749.db2.gz WBOFWRDKNITYNM-SNVBAGLBSA-N 1 2 217.309 1.343 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2c(O)cccc2F)C1 ZINC001225801913 974689251 /nfs/dbraw/zinc/68/92/51/974689251.db2.gz WMEWUTGLYYNHPM-SECBINFHSA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2c(O)cccc2F)C1 ZINC001225801913 974689256 /nfs/dbraw/zinc/68/92/56/974689256.db2.gz WMEWUTGLYYNHPM-SECBINFHSA-N 1 2 241.262 1.241 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001172429409 974708111 /nfs/dbraw/zinc/70/81/11/974708111.db2.gz XWSYRDYANVNYMH-SNVBAGLBSA-N 1 2 223.320 1.551 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001172429409 974708119 /nfs/dbraw/zinc/70/81/19/974708119.db2.gz XWSYRDYANVNYMH-SNVBAGLBSA-N 1 2 223.320 1.551 20 0 BDADLO O=C(CCC(F)F)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001331477634 974736384 /nfs/dbraw/zinc/73/63/84/974736384.db2.gz DBRVCWKGUVKRKH-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO Cc1coc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001331554050 974761568 /nfs/dbraw/zinc/76/15/68/974761568.db2.gz SJNAKYOSVJXOMZ-SNVBAGLBSA-N 1 2 236.271 1.224 20 0 BDADLO Cc1coc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001331554050 974761573 /nfs/dbraw/zinc/76/15/73/974761573.db2.gz SJNAKYOSVJXOMZ-SNVBAGLBSA-N 1 2 236.271 1.224 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CC1(OC)CCC1)C1CC1 ZINC001331689667 974790673 /nfs/dbraw/zinc/79/06/73/974790673.db2.gz NSUOVKJGURZFAH-NSHDSACASA-N 1 2 241.331 1.487 20 0 BDADLO C[NH+]1CC(Oc2ccc3nc(N)sc3c2)C1 ZINC001226131767 974803259 /nfs/dbraw/zinc/80/32/59/974803259.db2.gz QNIOWLXSGKTGPR-UHFFFAOYSA-N 1 2 235.312 1.571 20 0 BDADLO CC(C)OCC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172447815 974809569 /nfs/dbraw/zinc/80/95/69/974809569.db2.gz GXWXPEKXUDENQU-VWYCJHECSA-N 1 2 246.326 1.088 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)cc1C ZINC001249073041 975019567 /nfs/dbraw/zinc/01/95/67/975019567.db2.gz HKGNRELFQNKCLI-ONGXEEELSA-N 1 2 247.298 1.734 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173141158 975045299 /nfs/dbraw/zinc/04/52/99/975045299.db2.gz MTFWCPXBUZLLSE-QMMMGPOBSA-N 1 2 240.328 1.105 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173141158 975045305 /nfs/dbraw/zinc/04/53/05/975045305.db2.gz MTFWCPXBUZLLSE-QMMMGPOBSA-N 1 2 240.328 1.105 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC(=O)CC1 ZINC001332311628 975050512 /nfs/dbraw/zinc/05/05/12/975050512.db2.gz OPQJYUJEXFMPBT-SECBINFHSA-N 1 2 249.314 1.216 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC(=O)CC1 ZINC001332311628 975050517 /nfs/dbraw/zinc/05/05/17/975050517.db2.gz OPQJYUJEXFMPBT-SECBINFHSA-N 1 2 249.314 1.216 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CC1CC1 ZINC001332477085 975153562 /nfs/dbraw/zinc/15/35/62/975153562.db2.gz HNDKLQRPJAUNDT-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1CC[C@H]([NH2+][C@@]2(C(=O)OC)CCOC2)C1 ZINC001173274334 975155746 /nfs/dbraw/zinc/15/57/46/975155746.db2.gz INGIZBVGXVRCKU-MDZLAQPJSA-N 1 2 241.331 1.487 20 0 BDADLO CCSC[C@H](C)[NH2+]C1(C(=O)OC)CCC1 ZINC001173287467 975250655 /nfs/dbraw/zinc/25/06/55/975250655.db2.gz MDMZDYTYYILUNB-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO CC[C@H]1CC[C@@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001173287536 975250967 /nfs/dbraw/zinc/25/09/67/975250967.db2.gz KPQHAFCOZNUPTH-VHSXEESVSA-N 1 2 231.361 1.294 20 0 BDADLO CCSC[C@@H](C)[NH2+]C1(C(=O)OC)CCC1 ZINC001173287457 975251466 /nfs/dbraw/zinc/25/14/66/975251466.db2.gz MDMZDYTYYILUNB-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO CC(C)(CNC(=O)CC1CCC1)n1cc[nH+]c1 ZINC001332687562 975251462 /nfs/dbraw/zinc/25/14/62/975251462.db2.gz BVERVPUAHNBGMK-UHFFFAOYSA-N 1 2 235.331 1.925 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C=CCC1 ZINC001332865154 975298567 /nfs/dbraw/zinc/29/85/67/975298567.db2.gz CTATZEUIJHKCKN-DGCLKSJQSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nncs2)CCS1 ZINC001332990004 975360782 /nfs/dbraw/zinc/36/07/82/975360782.db2.gz HCGBJALYBCJSEV-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nncs2)CCS1 ZINC001332990004 975360790 /nfs/dbraw/zinc/36/07/90/975360790.db2.gz HCGBJALYBCJSEV-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO Cn1cnnc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001333260183 975594760 /nfs/dbraw/zinc/59/47/60/975594760.db2.gz JQDFUYVVERROLC-ZDUSSCGKSA-N 1 2 243.314 1.451 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c1C ZINC001333465055 975798044 /nfs/dbraw/zinc/79/80/44/975798044.db2.gz DQMRXVNGXSOMEU-XVKPBYJWSA-N 1 2 246.318 1.414 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cn3ccccc3n2)C1 ZINC001227948064 975808075 /nfs/dbraw/zinc/80/80/75/975808075.db2.gz YQDLNXZLXRDFRM-LLVKDONJSA-N 1 2 247.298 1.044 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cn3ccccc3n2)C1 ZINC001227948064 975808076 /nfs/dbraw/zinc/80/80/76/975808076.db2.gz YQDLNXZLXRDFRM-LLVKDONJSA-N 1 2 247.298 1.044 20 0 BDADLO c1nnc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)[nH]1 ZINC001333588292 975872338 /nfs/dbraw/zinc/87/23/38/975872338.db2.gz VJZVUYKBRBOHBD-ZJUUUORDSA-N 1 2 238.360 1.665 20 0 BDADLO c1nnc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)[nH]1 ZINC001333588292 975872340 /nfs/dbraw/zinc/87/23/40/975872340.db2.gz VJZVUYKBRBOHBD-ZJUUUORDSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)n[nH]1 ZINC001333588292 975872349 /nfs/dbraw/zinc/87/23/49/975872349.db2.gz VJZVUYKBRBOHBD-ZJUUUORDSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)n[nH]1 ZINC001333588292 975872354 /nfs/dbraw/zinc/87/23/54/975872354.db2.gz VJZVUYKBRBOHBD-ZJUUUORDSA-N 1 2 238.360 1.665 20 0 BDADLO COc1cc2c(cc1OC1CC(=O)C1)C=[NH+]CC2 ZINC001228088995 975897603 /nfs/dbraw/zinc/89/76/03/975897603.db2.gz IQPDUQYFFXQRKQ-UHFFFAOYSA-N 1 2 245.278 1.781 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001333680398 975987041 /nfs/dbraw/zinc/98/70/41/975987041.db2.gz UDNPMWFKZZEBNM-LNFKQOIKSA-N 1 2 249.314 1.197 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001333680398 975987053 /nfs/dbraw/zinc/98/70/53/975987053.db2.gz UDNPMWFKZZEBNM-LNFKQOIKSA-N 1 2 249.314 1.197 20 0 BDADLO Cc1[nH]c2ccc(OC(=O)[C@H](C)O)cc2[nH+]1 ZINC001228327088 976121657 /nfs/dbraw/zinc/12/16/57/976121657.db2.gz NTBUUZSNZCYGOD-LURJTMIESA-N 1 2 220.228 1.158 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCc1cccnc1)C1CC1 ZINC001334159639 976340106 /nfs/dbraw/zinc/34/01/06/976340106.db2.gz HLWUDVRGFXJCJL-ZDUSSCGKSA-N 1 2 248.326 1.555 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccncc2)C1 ZINC001206221586 976364845 /nfs/dbraw/zinc/36/48/45/976364845.db2.gz IBWUDJLWVFFMID-JTQLQIEISA-N 1 2 245.248 1.547 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccncc2)C1 ZINC001206221586 976364858 /nfs/dbraw/zinc/36/48/58/976364858.db2.gz IBWUDJLWVFFMID-JTQLQIEISA-N 1 2 245.248 1.547 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2cnnc(=S)[nH]2)C1 ZINC001228641060 976400191 /nfs/dbraw/zinc/40/01/91/976400191.db2.gz XQLMNEDJXNRUAY-UHFFFAOYSA-N 1 2 240.332 1.022 20 0 BDADLO c1cc(O[C@@H]2C[NH+]3CCC2CC3)cc2[nH]nnc12 ZINC001228663343 976421714 /nfs/dbraw/zinc/42/17/14/976421714.db2.gz ARJZMAQBYQNMFC-CYBMUJFWSA-N 1 2 244.298 1.431 20 0 BDADLO CN(C)c1ccc(Nc2cn[nH]c2)c[nH+]1 ZINC001174292316 976464892 /nfs/dbraw/zinc/46/48/92/976464892.db2.gz NPMWFMDVVGTTLN-UHFFFAOYSA-N 1 2 203.249 1.614 20 0 BDADLO CCOc1cc[nH+]cc1Nc1cn[nH]c1 ZINC001174293747 976468969 /nfs/dbraw/zinc/46/89/69/976468969.db2.gz LLFOSENHAOYFQO-UHFFFAOYSA-N 1 2 204.233 1.947 20 0 BDADLO COc1cc[nH+]cc1Nc1cnn(C)c1 ZINC001174328730 976527598 /nfs/dbraw/zinc/52/75/98/976527598.db2.gz JGUCULKMZPKPOC-UHFFFAOYSA-N 1 2 204.233 1.567 20 0 BDADLO FC(F)(F)c1cccnc1C[NH2+][C@H]1CNOC1 ZINC001334754856 976624699 /nfs/dbraw/zinc/62/46/99/976624699.db2.gz UCYTVDLTRSSHIC-ZETCQYMHSA-N 1 2 247.220 1.093 20 0 BDADLO COc1cc(Nc2cncnc2)[nH+]cc1C ZINC001174385540 976624904 /nfs/dbraw/zinc/62/49/04/976624904.db2.gz NQOGZXBJVFFQLV-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3c(c2)OCC3)C1 ZINC001228996698 976629030 /nfs/dbraw/zinc/62/90/30/976629030.db2.gz IMKDWBUXIIHXLD-CYBMUJFWSA-N 1 2 249.310 1.331 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3c(c2)OCC3)C1 ZINC001228996698 976629041 /nfs/dbraw/zinc/62/90/41/976629041.db2.gz IMKDWBUXIIHXLD-CYBMUJFWSA-N 1 2 249.310 1.331 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3ccn(C)c32)C1 ZINC001229016113 976654811 /nfs/dbraw/zinc/65/48/11/976654811.db2.gz CNQYMUPCVGDJTP-UHFFFAOYSA-N 1 2 232.287 1.051 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C[C@H]1F ZINC001334983430 976817840 /nfs/dbraw/zinc/81/78/40/976817840.db2.gz XLUQOPJLSURRBV-NXEZZACHSA-N 1 2 238.310 1.727 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C[C@H]1F ZINC001334983430 976817843 /nfs/dbraw/zinc/81/78/43/976817843.db2.gz XLUQOPJLSURRBV-NXEZZACHSA-N 1 2 238.310 1.727 20 0 BDADLO Cc1c[nH+]ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001174536433 976818122 /nfs/dbraw/zinc/81/81/22/976818122.db2.gz MJBIDSNMFJDWFA-UHFFFAOYSA-N 1 2 236.662 1.705 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(C=O)s1 ZINC001174655607 976947072 /nfs/dbraw/zinc/94/70/72/976947072.db2.gz CNSIBOLPDCYQPO-UHFFFAOYSA-N 1 2 249.295 1.224 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000259904559 976965044 /nfs/dbraw/zinc/96/50/44/976965044.db2.gz FYWXJWSMIWPOTH-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000259904559 976965053 /nfs/dbraw/zinc/96/50/53/976965053.db2.gz FYWXJWSMIWPOTH-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CC(C)[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ncon1 ZINC001335449276 977064574 /nfs/dbraw/zinc/06/45/74/977064574.db2.gz TYVUNFQQYBVNMK-XCBNKYQSSA-N 1 2 249.261 1.372 20 0 BDADLO CC(C)(C)c1cn(C[C@@H]2CCC(=O)O2)c[nH+]1 ZINC001335497957 977100964 /nfs/dbraw/zinc/10/09/64/977100964.db2.gz PGMCIVSQQMHZDN-VIFPVBQESA-N 1 2 222.288 1.886 20 0 BDADLO CC[NH+]1CC(Oc2nc3ccc(OC)cc3o2)C1 ZINC001230458991 977219398 /nfs/dbraw/zinc/21/93/98/977219398.db2.gz GKFICQVHCKLXLQ-UHFFFAOYSA-N 1 2 248.282 1.919 20 0 BDADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccns1 ZINC001335848404 977326460 /nfs/dbraw/zinc/32/64/60/977326460.db2.gz XAWTUVGQWVJVNA-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccns1 ZINC001335848404 977326470 /nfs/dbraw/zinc/32/64/70/977326470.db2.gz XAWTUVGQWVJVNA-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccon2)c1C ZINC001335948886 977382038 /nfs/dbraw/zinc/38/20/38/977382038.db2.gz IGCZRANOMUCMGC-UHFFFAOYSA-N 1 2 234.259 1.077 20 0 BDADLO C[C@@H](CON)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921715 977383906 /nfs/dbraw/zinc/38/39/06/977383906.db2.gz QKTDEYOXNXNFTH-QMMMGPOBSA-N 1 2 236.271 1.025 20 0 BDADLO Oc1cc2c(cc1OC1CC1)CC[NH+]=C2 ZINC001230920352 977384414 /nfs/dbraw/zinc/38/44/14/977384414.db2.gz MORLDHQBRPXBIU-UHFFFAOYSA-N 1 2 203.241 1.908 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001336023989 977436340 /nfs/dbraw/zinc/43/63/40/977436340.db2.gz HEBRVOOTIFRYHH-JBLDHEPKSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@H](C(=O)N1CCS[C@H](C)C1)n1cc[nH+]c1 ZINC001336034484 977439583 /nfs/dbraw/zinc/43/95/83/977439583.db2.gz QMWQXFFLQBLKCV-NXEZZACHSA-N 1 2 239.344 1.408 20 0 BDADLO Cc1nc(N)ncc1Nc1cccn2cc[nH+]c12 ZINC001175666339 977645200 /nfs/dbraw/zinc/64/52/00/977645200.db2.gz SNQHPHAAQLOSOF-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCCC23COC3)cn1 ZINC001231654754 977665172 /nfs/dbraw/zinc/66/51/72/977665172.db2.gz URDIUPXAICKNLB-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccc(C[N@H+]2CCCC23COC3)cn1 ZINC001231654754 977665183 /nfs/dbraw/zinc/66/51/83/977665183.db2.gz URDIUPXAICKNLB-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCC23COC3)n1 ZINC001231673217 977682575 /nfs/dbraw/zinc/68/25/75/977682575.db2.gz HIXNWIVRAKWMGB-UHFFFAOYSA-N 1 2 220.272 1.070 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCC23COC3)n1 ZINC001231673217 977682579 /nfs/dbraw/zinc/68/25/79/977682579.db2.gz HIXNWIVRAKWMGB-UHFFFAOYSA-N 1 2 220.272 1.070 20 0 BDADLO Cc1ccc(O)c(C[NH+]2CC3(C2)CCCCO3)n1 ZINC001231670913 977684027 /nfs/dbraw/zinc/68/40/27/977684027.db2.gz MVTCTVOMMIYCBH-UHFFFAOYSA-N 1 2 248.326 1.851 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCC(=O)C[C@@H]2C)n1 ZINC001231669586 977687575 /nfs/dbraw/zinc/68/75/75/977687575.db2.gz KQHGDYYYUKDRPS-JTQLQIEISA-N 1 2 234.299 1.649 20 0 BDADLO CN(CCCNC(=O)C1(C)CC1)c1cccc[nH+]1 ZINC001175708691 977689314 /nfs/dbraw/zinc/68/93/14/977689314.db2.gz UHQKTNWSSIYYGG-UHFFFAOYSA-N 1 2 247.342 1.824 20 0 BDADLO CCc1ccc(NCCS(C)(=O)=O)[nH+]c1 ZINC001336476983 977708055 /nfs/dbraw/zinc/70/80/55/977708055.db2.gz ONVJWNDUMCIQBT-UHFFFAOYSA-N 1 2 228.317 1.101 20 0 BDADLO CC(C)Oc1ncccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001231763956 977732494 /nfs/dbraw/zinc/73/24/94/977732494.db2.gz NPGLKQSIIXGIKU-OLZOCXBDSA-N 1 2 248.326 1.842 20 0 BDADLO CC(C)Oc1ncccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001231763956 977732501 /nfs/dbraw/zinc/73/25/01/977732501.db2.gz NPGLKQSIIXGIKU-OLZOCXBDSA-N 1 2 248.326 1.842 20 0 BDADLO [NH3+][C@H]1CC[C@H](Nc2[nH+]cccc2C(=O)[O-])CC1 ZINC001594660275 977760517 /nfs/dbraw/zinc/76/05/17/977760517.db2.gz VAZJJMMHOMQUGZ-KYZUINATSA-N 1 2 235.287 1.462 20 0 BDADLO CCc1ccc(N2C[C@H](CO)O[C@@H](C)C2)[nH+]c1 ZINC001336605876 977809835 /nfs/dbraw/zinc/80/98/35/977809835.db2.gz VRQXZELOSWPOSI-CMPLNLGQSA-N 1 2 236.315 1.230 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)Cc1ccncn1 ZINC001231987424 977825723 /nfs/dbraw/zinc/82/57/23/977825723.db2.gz VGXMKKLZWICGCW-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)Cc1ccncn1 ZINC001231987424 977825728 /nfs/dbraw/zinc/82/57/28/977825728.db2.gz VGXMKKLZWICGCW-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Nc1ccc(F)cc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001336646049 977827856 /nfs/dbraw/zinc/82/78/56/977827856.db2.gz JXBGQXJUSKUCQU-SSDOTTSWSA-N 1 2 247.220 1.329 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)nc(C)c1 ZINC001231995668 977830376 /nfs/dbraw/zinc/83/03/76/977830376.db2.gz QVGUKDCWMFWYQY-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)nc(C)c1 ZINC001231995668 977830380 /nfs/dbraw/zinc/83/03/80/977830380.db2.gz QVGUKDCWMFWYQY-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)cc(C)n1 ZINC001231996169 977830767 /nfs/dbraw/zinc/83/07/67/977830767.db2.gz ZAPIBRAZWIYHCQ-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)cc(C)n1 ZINC001231996169 977830770 /nfs/dbraw/zinc/83/07/70/977830770.db2.gz ZAPIBRAZWIYHCQ-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Nc1cc(N2CCC[C@H](CCO)CC2)[nH+]cn1 ZINC001336660093 977835816 /nfs/dbraw/zinc/83/58/16/977835816.db2.gz GITDEYVFGHGCSG-JTQLQIEISA-N 1 2 236.319 1.048 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]n2)C[C@H]1F ZINC001232021831 977848685 /nfs/dbraw/zinc/84/86/85/977848685.db2.gz UVLNTUVRAPRQDJ-PSASIEDQSA-N 1 2 225.267 1.362 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(=O)[nH]n2)C[C@H]1F ZINC001232021831 977848689 /nfs/dbraw/zinc/84/86/89/977848689.db2.gz UVLNTUVRAPRQDJ-PSASIEDQSA-N 1 2 225.267 1.362 20 0 BDADLO Cc1[nH+]cn(C)c1Nc1ccc2nn[nH]c2c1 ZINC001176001514 977857135 /nfs/dbraw/zinc/85/71/35/977857135.db2.gz FMNQOPQPHXGUDX-UHFFFAOYSA-N 1 2 228.259 1.743 20 0 BDADLO Cc1[nH+]cn(C)c1Nc1ccc2n[nH]nc2c1 ZINC001176001514 977857140 /nfs/dbraw/zinc/85/71/40/977857140.db2.gz FMNQOPQPHXGUDX-UHFFFAOYSA-N 1 2 228.259 1.743 20 0 BDADLO OCc1cc(Nc2ccc3nn[nH]c3c2)cc[nH+]1 ZINC001175998997 977857486 /nfs/dbraw/zinc/85/74/86/977857486.db2.gz QYPGBLXFKFDDNE-UHFFFAOYSA-N 1 2 241.254 1.589 20 0 BDADLO OCc1cc(Nc2ccc3n[nH]nc3c2)cc[nH+]1 ZINC001175998997 977857491 /nfs/dbraw/zinc/85/74/91/977857491.db2.gz QYPGBLXFKFDDNE-UHFFFAOYSA-N 1 2 241.254 1.589 20 0 BDADLO Cc1ncc([C@H](C)Nc2cc(N)nc[nH+]2)s1 ZINC001336705199 977868676 /nfs/dbraw/zinc/86/86/76/977868676.db2.gz CKRRKRFFIHKKQM-LURJTMIESA-N 1 2 235.316 1.997 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc3ncccc3[nH]2)C[C@@H]1F ZINC001232061523 977874585 /nfs/dbraw/zinc/87/45/85/977874585.db2.gz IGHSGIDZJZSGDL-GWCFXTLKSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc3ncccc3[nH]2)C[C@@H]1F ZINC001232061523 977874597 /nfs/dbraw/zinc/87/45/97/977874597.db2.gz IGHSGIDZJZSGDL-GWCFXTLKSA-N 1 2 249.289 1.732 20 0 BDADLO CCOc1cc(NCc2[nH]c(C)c(C)[nH+]2)ncn1 ZINC001336711573 977875017 /nfs/dbraw/zinc/87/50/17/977875017.db2.gz PMGUVPZTDUDOLG-UHFFFAOYSA-N 1 2 247.302 1.827 20 0 BDADLO FC(F)(F)c1nccnc1Nc1[nH]cc[nH+]1 ZINC001176082284 977879879 /nfs/dbraw/zinc/87/98/79/977879879.db2.gz CUHFYXLGEJIVNA-UHFFFAOYSA-N 1 2 229.165 1.962 20 0 BDADLO c1c[nH+]c(Nc2noc3cnccc23)[nH]1 ZINC001176082175 977880523 /nfs/dbraw/zinc/88/05/23/977880523.db2.gz XUBFPEVISKTRIA-UHFFFAOYSA-N 1 2 201.189 1.690 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1ncsc1C ZINC001232211924 977935770 /nfs/dbraw/zinc/93/57/70/977935770.db2.gz KRGYJGRGKVMWOB-UHFFFAOYSA-N 1 2 228.317 1.446 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1ncsc1C ZINC001232211924 977935779 /nfs/dbraw/zinc/93/57/79/977935779.db2.gz KRGYJGRGKVMWOB-UHFFFAOYSA-N 1 2 228.317 1.446 20 0 BDADLO COc1cc[nH+]cc1Nc1ncc(C)nc1OC ZINC001176118060 977946196 /nfs/dbraw/zinc/94/61/96/977946196.db2.gz GOBXRSMLUAGPID-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO COc1cc[nH+]cc1-n1ccc(N)c2ccnc1-2 ZINC001176116837 977947961 /nfs/dbraw/zinc/94/79/61/977947961.db2.gz MIPRUNUMKKRYSL-UHFFFAOYSA-N 1 2 240.266 1.963 20 0 BDADLO COc1cc[nH+]cc1Nc1ccn2cnnc2c1 ZINC001176119056 977951202 /nfs/dbraw/zinc/95/12/02/977951202.db2.gz UEVWKLQFDNOFBF-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO COc1cc[nH+]cc1-n1nc(SC)cc1N ZINC001176119627 977951324 /nfs/dbraw/zinc/95/13/24/977951324.db2.gz WYWHMPJXUSALNK-UHFFFAOYSA-N 1 2 236.300 1.580 20 0 BDADLO COc1cc[nH+]cc1Nc1cn(CCF)cn1 ZINC001176118611 977953730 /nfs/dbraw/zinc/95/37/30/977953730.db2.gz JTTLPXONIARQHQ-UHFFFAOYSA-N 1 2 236.250 2.000 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232236790 977970771 /nfs/dbraw/zinc/97/07/71/977970771.db2.gz JJXYCDCSXLIQGB-SECBINFHSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232236790 977970779 /nfs/dbraw/zinc/97/07/79/977970779.db2.gz JJXYCDCSXLIQGB-SECBINFHSA-N 1 2 246.232 1.667 20 0 BDADLO Cc1cc(O)cc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001150598400 978063239 /nfs/dbraw/zinc/06/32/39/978063239.db2.gz PKHVMMUAHYFMSB-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001232430778 978073234 /nfs/dbraw/zinc/07/32/34/978073234.db2.gz DUCAZFSXGJYLPV-CQSZACIVSA-N 1 2 247.342 1.509 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@H+]1CCOC[C@@H]1C1CC1 ZINC001232430778 978073241 /nfs/dbraw/zinc/07/32/41/978073241.db2.gz DUCAZFSXGJYLPV-CQSZACIVSA-N 1 2 247.342 1.509 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429168 978073819 /nfs/dbraw/zinc/07/38/19/978073819.db2.gz GUZDINYEESAVJZ-CQSZACIVSA-N 1 2 249.358 1.755 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429168 978073827 /nfs/dbraw/zinc/07/38/27/978073827.db2.gz GUZDINYEESAVJZ-CQSZACIVSA-N 1 2 249.358 1.755 20 0 BDADLO Cc1[nH]c(CN2CC[C@@](C)(O)[C@@H](F)C2)c[nH+]1 ZINC001232459688 978091021 /nfs/dbraw/zinc/09/10/21/978091021.db2.gz GNMGVAITBLZWRK-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1[nH]cc(CN2CC[C@@](C)(O)[C@@H](F)C2)[nH+]1 ZINC001232459688 978091031 /nfs/dbraw/zinc/09/10/31/978091031.db2.gz GNMGVAITBLZWRK-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1[nH]c(CN2CCC(F)(F)[C@H](F)C2)c[nH+]1 ZINC001232460698 978099931 /nfs/dbraw/zinc/09/99/31/978099931.db2.gz UBOVNQPTGPOMEN-SECBINFHSA-N 1 2 233.237 1.897 20 0 BDADLO Cc1[nH]cc(CN2CCC(F)(F)[C@H](F)C2)[nH+]1 ZINC001232460698 978099940 /nfs/dbraw/zinc/09/99/40/978099940.db2.gz UBOVNQPTGPOMEN-SECBINFHSA-N 1 2 233.237 1.897 20 0 BDADLO Cc1[nH]c(CN(CCO)CC(F)(F)F)c[nH+]1 ZINC001232464589 978105476 /nfs/dbraw/zinc/10/54/76/978105476.db2.gz ISSXBFLJDXEOGL-UHFFFAOYSA-N 1 2 237.225 1.075 20 0 BDADLO Cc1[nH]cc(CN(CCO)CC(F)(F)F)[nH+]1 ZINC001232464589 978105486 /nfs/dbraw/zinc/10/54/86/978105486.db2.gz ISSXBFLJDXEOGL-UHFFFAOYSA-N 1 2 237.225 1.075 20 0 BDADLO CCc1csc(C[N@@H+]2CCCOCC2)n1 ZINC001232468852 978119069 /nfs/dbraw/zinc/11/90/69/978119069.db2.gz FPVDIPDYTNHCKA-UHFFFAOYSA-N 1 2 226.345 1.928 20 0 BDADLO CCc1csc(C[N@H+]2CCCOCC2)n1 ZINC001232468852 978119075 /nfs/dbraw/zinc/11/90/75/978119075.db2.gz FPVDIPDYTNHCKA-UHFFFAOYSA-N 1 2 226.345 1.928 20 0 BDADLO Fc1ccnc(C[NH+]2CC3(C2)CCOC3)c1 ZINC001232489751 978139619 /nfs/dbraw/zinc/13/96/19/978139619.db2.gz BDQUPWUZYFJDDK-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO C=C/C=C/CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001595835809 978145976 /nfs/dbraw/zinc/14/59/76/978145976.db2.gz YLCMRSXBFQGMBM-ZWNMCFTASA-N 1 2 219.288 1.520 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)ccn1 ZINC001232497174 978152506 /nfs/dbraw/zinc/15/25/06/978152506.db2.gz FXNHHMPNOLXAGV-NSHDSACASA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(F)ccn1 ZINC001232497174 978152510 /nfs/dbraw/zinc/15/25/10/978152510.db2.gz FXNHHMPNOLXAGV-NSHDSACASA-N 1 2 210.252 1.441 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2ccoc2cn1 ZINC001232550532 978178601 /nfs/dbraw/zinc/17/86/01/978178601.db2.gz XVVXFLSXWBOJSZ-UHFFFAOYSA-N 1 2 233.271 1.006 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2ccoc2cn1 ZINC001232550532 978178607 /nfs/dbraw/zinc/17/86/07/978178607.db2.gz XVVXFLSXWBOJSZ-UHFFFAOYSA-N 1 2 233.271 1.006 20 0 BDADLO C[C@@]1(F)CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1F ZINC001176829676 978194835 /nfs/dbraw/zinc/19/48/35/978194835.db2.gz XAHITIAOKLHHMD-GXSJLCMTSA-N 1 2 243.257 1.251 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1c(Cl)ccnc1F ZINC001232612922 978195179 /nfs/dbraw/zinc/19/51/79/978195179.db2.gz ODDBRDMFXFVTKD-QMMMGPOBSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1c(Cl)ccnc1F ZINC001232612922 978195184 /nfs/dbraw/zinc/19/51/84/978195184.db2.gz ODDBRDMFXFVTKD-QMMMGPOBSA-N 1 2 244.697 1.831 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccccc1O ZINC001176832270 978196325 /nfs/dbraw/zinc/19/63/25/978196325.db2.gz LRAXMUOLDUXLKF-UHFFFAOYSA-N 1 2 217.228 1.297 20 0 BDADLO CN(C)c1ccccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176832348 978196524 /nfs/dbraw/zinc/19/65/24/978196524.db2.gz OXOJDXUVJSGUSS-UHFFFAOYSA-N 1 2 244.298 1.657 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]c3ncncc23)CCC1=O ZINC001232655152 978212088 /nfs/dbraw/zinc/21/20/88/978212088.db2.gz UQNYURLUNHZSPP-SECBINFHSA-N 1 2 244.298 1.320 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3ncncc23)CCC1=O ZINC001232655152 978212099 /nfs/dbraw/zinc/21/20/99/978212099.db2.gz UQNYURLUNHZSPP-SECBINFHSA-N 1 2 244.298 1.320 20 0 BDADLO Cc1cnc(C)c(NC(=O)CCn2cc[nH+]c2)n1 ZINC001176872730 978221395 /nfs/dbraw/zinc/22/13/95/978221395.db2.gz NWXVTXYTTMJMNQ-UHFFFAOYSA-N 1 2 245.286 1.319 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC001232667474 978223755 /nfs/dbraw/zinc/22/37/55/978223755.db2.gz XYAVRHUUWUWYLA-UHFFFAOYSA-N 1 2 233.315 1.002 20 0 BDADLO CNc1ccccc1C[N@H+]1CCN(C)C(=O)C1 ZINC001232667474 978223769 /nfs/dbraw/zinc/22/37/69/978223769.db2.gz XYAVRHUUWUWYLA-UHFFFAOYSA-N 1 2 233.315 1.002 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001337274550 978258116 /nfs/dbraw/zinc/25/81/16/978258116.db2.gz LQSXGFXYHVNWDP-WPRPVWTQSA-N 1 2 225.267 1.062 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001337281378 978262498 /nfs/dbraw/zinc/26/24/98/978262498.db2.gz JQAQPBBRGJHWLN-SCZZXKLOSA-N 1 2 225.267 1.062 20 0 BDADLO COc1cc(O)cc(C[NH+]2CC3(COC3)C2)c1 ZINC001232801934 978290475 /nfs/dbraw/zinc/29/04/75/978290475.db2.gz OMNHFXAHOXDNJI-UHFFFAOYSA-N 1 2 235.283 1.233 20 0 BDADLO CN1CC[NH+](Cc2ccc3ncoc3c2)CC1 ZINC001232940022 978346499 /nfs/dbraw/zinc/34/64/99/978346499.db2.gz WOIWWMMMYQIKGN-UHFFFAOYSA-N 1 2 231.299 1.575 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C1CCC1 ZINC001337509122 978380597 /nfs/dbraw/zinc/38/05/97/978380597.db2.gz LAIXDKYBGLHYEN-UHFFFAOYSA-N 1 2 204.273 1.859 20 0 BDADLO Cc1ncc(F)cc1C[NH+]1CC2(CC(O)C2)C1 ZINC001232986831 978387000 /nfs/dbraw/zinc/38/70/00/978387000.db2.gz UBAJYOZHBTVHIL-UHFFFAOYSA-N 1 2 236.290 1.486 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC001232986859 978389805 /nfs/dbraw/zinc/38/98/05/978389805.db2.gz XSYCOVCJQUJMJR-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(C2CC2)cc1 ZINC001232986859 978389816 /nfs/dbraw/zinc/38/98/16/978389816.db2.gz XSYCOVCJQUJMJR-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO COC1(C)C[NH+](Cc2cnc(C)cc2C)C1 ZINC001233008421 978399109 /nfs/dbraw/zinc/39/91/09/978399109.db2.gz QKUOUPRNIYWPDU-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)cc1C ZINC001233008246 978403096 /nfs/dbraw/zinc/40/30/96/978403096.db2.gz NYXJQFNFSWOUEA-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)cc1C ZINC001233008246 978403101 /nfs/dbraw/zinc/40/31/01/978403101.db2.gz NYXJQFNFSWOUEA-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO Oc1cnc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001233033261 978421716 /nfs/dbraw/zinc/42/17/16/978421716.db2.gz BYANLYVFEHDYBH-OCAPTIKFSA-N 1 2 224.691 1.892 20 0 BDADLO Oc1cnc(Cl)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001233033261 978421723 /nfs/dbraw/zinc/42/17/23/978421723.db2.gz BYANLYVFEHDYBH-OCAPTIKFSA-N 1 2 224.691 1.892 20 0 BDADLO c1ccn2nc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)nc2c1 ZINC001233070216 978459815 /nfs/dbraw/zinc/45/98/15/978459815.db2.gz DRZVTFWKYLGIHN-AOOOYVTPSA-N 1 2 214.272 1.181 20 0 BDADLO c1ccn2nc(C[N@H+]3C[C@@H]4C[C@@H]4C3)nc2c1 ZINC001233070216 978459818 /nfs/dbraw/zinc/45/98/18/978459818.db2.gz DRZVTFWKYLGIHN-AOOOYVTPSA-N 1 2 214.272 1.181 20 0 BDADLO C[C@H](C(=O)N(C)C(C)(C)C)n1cc[nH+]c1 ZINC001177922598 978473530 /nfs/dbraw/zinc/47/35/30/978473530.db2.gz VYPHIJAUGXRBHW-SECBINFHSA-N 1 2 209.293 1.701 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)cnc1C ZINC001233155726 978475751 /nfs/dbraw/zinc/47/57/51/978475751.db2.gz AZPWGSBMAQYIOV-LLVKDONJSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)cnc1C ZINC001233155726 978475759 /nfs/dbraw/zinc/47/57/59/978475759.db2.gz AZPWGSBMAQYIOV-LLVKDONJSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)cnc1C ZINC001233155727 978477719 /nfs/dbraw/zinc/47/77/19/978477719.db2.gz AZPWGSBMAQYIOV-NSHDSACASA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)cnc1C ZINC001233155727 978477725 /nfs/dbraw/zinc/47/77/25/978477725.db2.gz AZPWGSBMAQYIOV-NSHDSACASA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@@H+](C)C2(C)COC2)cnc1C ZINC001233161680 978483089 /nfs/dbraw/zinc/48/30/89/978483089.db2.gz HTTZDYTTXKQCFD-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@H+](C)C2(C)COC2)cnc1C ZINC001233161680 978483093 /nfs/dbraw/zinc/48/30/93/978483093.db2.gz HTTZDYTTXKQCFD-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Nc1nc(N2CCC(c3ncc[nH]3)CC2)cc[nH+]1 ZINC001337757667 978485312 /nfs/dbraw/zinc/48/53/12/978485312.db2.gz VJVJQVBCPJPRSN-UHFFFAOYSA-N 1 2 244.302 1.166 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001178000179 978487778 /nfs/dbraw/zinc/48/77/78/978487778.db2.gz AIOTXPQDVZYSBE-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO COCCN(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC001177994953 978494283 /nfs/dbraw/zinc/49/42/83/978494283.db2.gz NPOJFDVCXJETDB-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO Cc1c[nH]c(=O)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177994568 978495333 /nfs/dbraw/zinc/49/53/33/978495333.db2.gz XRPCTKDKBZIUPI-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO CO[C@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337795576 978499070 /nfs/dbraw/zinc/49/90/70/978499070.db2.gz QFJZUEIHRXDZRJ-JTQLQIEISA-N 1 2 210.252 1.754 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(C)c(O)c1 ZINC001233231609 978502111 /nfs/dbraw/zinc/50/21/11/978502111.db2.gz WWORSPIDTBAWPA-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(C)c(O)c1 ZINC001233231609 978502114 /nfs/dbraw/zinc/50/21/14/978502114.db2.gz WWORSPIDTBAWPA-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO Cc1ccc(C[NH+]2CC(C)(O)C2)cc1O ZINC001233230979 978502942 /nfs/dbraw/zinc/50/29/42/978502942.db2.gz OUHSBARYYSUPRB-UHFFFAOYSA-N 1 2 207.273 1.267 20 0 BDADLO Cc1cnnc(N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC001337882710 978549298 /nfs/dbraw/zinc/54/92/98/978549298.db2.gz CECVLVQYWHFQLH-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cncc(C)c2)n1 ZINC001178365549 978560519 /nfs/dbraw/zinc/56/05/19/978560519.db2.gz MEWQSIAAEZKSEK-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO Nc1cccc(CN2CCCC(=O)[C@H](F)C2)[nH+]1 ZINC001233368851 978582180 /nfs/dbraw/zinc/58/21/80/978582180.db2.gz KOJAWCHOSFIAJT-SNVBAGLBSA-N 1 2 237.278 1.167 20 0 BDADLO Nc1cccc(CN2CC(F)(F)C[C@H]2CF)[nH+]1 ZINC001233369372 978585431 /nfs/dbraw/zinc/58/54/31/978585431.db2.gz LORSLYFPWHUHQF-VIFPVBQESA-N 1 2 245.248 1.843 20 0 BDADLO Nc1cccc(C[N@@H+]2CCOC3(CC3)C2)n1 ZINC001233373225 978588080 /nfs/dbraw/zinc/58/80/80/978588080.db2.gz YACAKWHSNNCGTO-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO Nc1cccc(C[N@H+]2CCOC3(CC3)C2)n1 ZINC001233373225 978588089 /nfs/dbraw/zinc/58/80/89/978588089.db2.gz YACAKWHSNNCGTO-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO Nc1cccc(CN2CCOC3(CC3)C2)[nH+]1 ZINC001233373225 978588097 /nfs/dbraw/zinc/58/80/97/978588097.db2.gz YACAKWHSNNCGTO-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO CC1(O)CC[NH+](Cc2cncc(Cl)n2)CC1 ZINC001233446943 978603477 /nfs/dbraw/zinc/60/34/77/978603477.db2.gz ORCFQHOXTIUQTC-UHFFFAOYSA-N 1 2 241.722 1.477 20 0 BDADLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF)C1CC1 ZINC001233528484 978620451 /nfs/dbraw/zinc/62/04/51/978620451.db2.gz AGPSEBXWVAEKIT-JQWIXIFHSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCF)C1CC1 ZINC001233528484 978620458 /nfs/dbraw/zinc/62/04/58/978620458.db2.gz AGPSEBXWVAEKIT-JQWIXIFHSA-N 1 2 242.338 1.535 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cn1 ZINC001178717295 978620415 /nfs/dbraw/zinc/62/04/15/978620415.db2.gz PZJLKTULNSUFFK-CABZTGNLSA-N 1 2 243.314 1.777 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001338242493 978639727 /nfs/dbraw/zinc/63/97/27/978639727.db2.gz KWCNPDVUNZZDOK-IUCAKERBSA-N 1 2 240.253 1.960 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCOC[C@@H]1C ZINC001338239761 978640565 /nfs/dbraw/zinc/64/05/65/978640565.db2.gz ANANXNWHMPXSDM-NWDGAFQWSA-N 1 2 248.326 1.731 20 0 BDADLO C=CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001338390543 978671554 /nfs/dbraw/zinc/67/15/54/978671554.db2.gz UXAOCRAAGOIVSZ-UHFFFAOYSA-N 1 2 227.267 1.675 20 0 BDADLO Cc1cc(O[C@@H]2CC[N@@H+](C)C2)cc2[nH]ncc21 ZINC001233738480 978683250 /nfs/dbraw/zinc/68/32/50/978683250.db2.gz LPAWUXMKSONXKD-SNVBAGLBSA-N 1 2 231.299 1.954 20 0 BDADLO Cc1cc(O[C@@H]2CC[N@H+](C)C2)cc2[nH]ncc21 ZINC001233738480 978683260 /nfs/dbraw/zinc/68/32/60/978683260.db2.gz LPAWUXMKSONXKD-SNVBAGLBSA-N 1 2 231.299 1.954 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccc[nH]c2=O)no1 ZINC001179298748 978688338 /nfs/dbraw/zinc/68/83/38/978688338.db2.gz BZIPCLMOWVIJGU-UHFFFAOYSA-N 1 2 249.270 1.211 20 0 BDADLO CCOC(=O)c1ccc(OC2C[NH+](C)C2)cc1C ZINC001233807043 978700606 /nfs/dbraw/zinc/70/06/06/978700606.db2.gz MKKSYMKXMVVSLB-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@@H](CC2CC2)C(=O)[O-])n1C ZINC001600737317 978725595 /nfs/dbraw/zinc/72/55/95/978725595.db2.gz QQLQQZTZAHFKGS-NSHDSACASA-N 1 2 237.303 1.071 20 0 BDADLO CC[NH2+][C@@H](C)CN(C)C(=O)C(F)C(F)(F)F ZINC001277827060 978762410 /nfs/dbraw/zinc/76/24/10/978762410.db2.gz UORQMVKCPXITOX-BQBZGAKWSA-N 1 2 244.232 1.343 20 0 BDADLO [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178231 978786065 /nfs/dbraw/zinc/78/60/65/978786065.db2.gz KTVGDQOLWUYNGE-ZWNOBZJWSA-N 1 2 249.314 1.026 20 0 BDADLO [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178231 978786067 /nfs/dbraw/zinc/78/60/67/978786067.db2.gz KTVGDQOLWUYNGE-ZWNOBZJWSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCSC1 ZINC001339104124 978794031 /nfs/dbraw/zinc/79/40/31/978794031.db2.gz XVDOLKICRLSKFZ-JTQLQIEISA-N 1 2 236.340 1.812 20 0 BDADLO C=C(F)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001180115313 978821417 /nfs/dbraw/zinc/82/14/17/978821417.db2.gz DLFFYNRXSCPEDS-UHFFFAOYSA-N 1 2 223.251 1.530 20 0 BDADLO CC(=O)N1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001339495069 978859779 /nfs/dbraw/zinc/85/97/79/978859779.db2.gz AKDXCMHLFHAQNX-UHFFFAOYSA-N 1 2 237.278 1.198 20 0 BDADLO CCc1cccnc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001234576807 978862352 /nfs/dbraw/zinc/86/23/52/978862352.db2.gz DPFDMEXSJBMCNH-LBPRGKRZSA-N 1 2 236.315 1.353 20 0 BDADLO CCc1cccnc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001234576807 978862353 /nfs/dbraw/zinc/86/23/53/978862353.db2.gz DPFDMEXSJBMCNH-LBPRGKRZSA-N 1 2 236.315 1.353 20 0 BDADLO Cc1cc([NH2+]C[C@@H]2CCC(=O)N2)ccc1N ZINC000070627986 978868575 /nfs/dbraw/zinc/86/85/75/978868575.db2.gz QOYQESGQUUOSJA-JTQLQIEISA-N 1 2 219.288 1.268 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(F)cn2)CC[C@H]1O ZINC001235004730 978947239 /nfs/dbraw/zinc/94/72/39/978947239.db2.gz LKNABNQGWGSUDO-GXSJLCMTSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(F)cn2)CC[C@H]1O ZINC001235004730 978947251 /nfs/dbraw/zinc/94/72/51/978947251.db2.gz LKNABNQGWGSUDO-GXSJLCMTSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cn2)CC[C@@]1(C)O ZINC001235008626 978950279 /nfs/dbraw/zinc/95/02/79/978950279.db2.gz XQAPIXVYLGGVPZ-JOYOIKCWSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cn2)CC[C@@]1(C)O ZINC001235008626 978950282 /nfs/dbraw/zinc/95/02/82/978950282.db2.gz XQAPIXVYLGGVPZ-JOYOIKCWSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2ncc(F)cn2)[C@@H]1CO ZINC001235008033 978950339 /nfs/dbraw/zinc/95/03/39/978950339.db2.gz UMMOPTBGNZWNOM-MWLCHTKSSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2ncc(F)cn2)[C@@H]1CO ZINC001235008033 978950349 /nfs/dbraw/zinc/95/03/49/978950349.db2.gz UMMOPTBGNZWNOM-MWLCHTKSSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@]1(O)CCCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235008000 978951292 /nfs/dbraw/zinc/95/12/92/978951292.db2.gz TXDMJYQCWSOIKL-GFCCVEGCSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@@]1(O)CCCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235008000 978951295 /nfs/dbraw/zinc/95/12/95/978951295.db2.gz TXDMJYQCWSOIKL-GFCCVEGCSA-N 1 2 239.294 1.353 20 0 BDADLO O=C(C[C@@H]1CCOC1)Nc1cc[nH+]c2c1CCC2 ZINC001180918660 978964022 /nfs/dbraw/zinc/96/40/22/978964022.db2.gz IEQWOBYGPUNOCO-JTQLQIEISA-N 1 2 246.310 1.357 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)c(=O)[nH]1 ZINC001340199121 978986577 /nfs/dbraw/zinc/98/65/77/978986577.db2.gz IQGHETTZSOMLHG-LURJTMIESA-N 1 2 245.229 1.017 20 0 BDADLO C[C@@H](C(=O)N1CC[C@]2(CCOC2)C1)n1cc[nH+]c1 ZINC001340235296 978994125 /nfs/dbraw/zinc/99/41/25/978994125.db2.gz BGTUKASGAORNJR-AAEUAGOBSA-N 1 2 249.314 1.083 20 0 BDADLO CCc1cccc(C[N@@H+]2CCO[C@H](C)C2)n1 ZINC001235253724 979006670 /nfs/dbraw/zinc/00/66/70/979006670.db2.gz KDKABCJMMAJRJR-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1cccc(C[N@H+]2CCO[C@H](C)C2)n1 ZINC001235253724 979006675 /nfs/dbraw/zinc/00/66/75/979006675.db2.gz KDKABCJMMAJRJR-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CC(=O)C[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001181252200 979020152 /nfs/dbraw/zinc/02/01/52/979020152.db2.gz SKCDGOZPWKCQCJ-SECBINFHSA-N 1 2 245.282 1.888 20 0 BDADLO CC(C)N(C)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181230850 979023689 /nfs/dbraw/zinc/02/36/89/979023689.db2.gz SYMXMNJVLVWVBK-UHFFFAOYSA-N 1 2 207.277 1.073 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181229124 979025377 /nfs/dbraw/zinc/02/53/77/979025377.db2.gz HFROZGBGUFTBMA-QWRGUYRKSA-N 1 2 247.342 1.996 20 0 BDADLO Nc1cc(CC(=O)N[C@H]2C[C@@H]2C2CC2)cc[nH+]1 ZINC001181276772 979032493 /nfs/dbraw/zinc/03/24/93/979032493.db2.gz ISQKTECDWIGKBS-MNOVXSKESA-N 1 2 231.299 1.121 20 0 BDADLO Nc1cc(CC(=O)N[C@H]2CC=CCC2)cc[nH+]1 ZINC001181279560 979032938 /nfs/dbraw/zinc/03/29/38/979032938.db2.gz LDDGOAMTDWPCPF-NSHDSACASA-N 1 2 231.299 1.431 20 0 BDADLO Cc1[nH+]cn(C)c1CN1Cc2cncnc2C1 ZINC001235536237 979069612 /nfs/dbraw/zinc/06/96/12/979069612.db2.gz BKMZTMRRILCKLZ-UHFFFAOYSA-N 1 2 229.287 1.034 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCC[C@H](F)C1 ZINC001235545066 979088721 /nfs/dbraw/zinc/08/87/21/979088721.db2.gz WEOONWOSYNRJFM-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCC[C@H](F)C1 ZINC001235545066 979088729 /nfs/dbraw/zinc/08/87/29/979088729.db2.gz WEOONWOSYNRJFM-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO O=C([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC001602438768 979116149 /nfs/dbraw/zinc/11/61/49/979116149.db2.gz KKWFFNJXJBNGED-ZDUSSCGKSA-N 1 2 248.326 1.617 20 0 BDADLO CCN(C(=O)[C@@H](C)C(C)C)C1C[NH+](C)C1 ZINC001181494035 979120970 /nfs/dbraw/zinc/12/09/70/979120970.db2.gz GPUBDYCWTAJGNE-JTQLQIEISA-N 1 2 212.337 1.441 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCO1 ZINC001181580290 979167170 /nfs/dbraw/zinc/16/71/70/979167170.db2.gz WTMJLCRBBYBBCY-QMMMGPOBSA-N 1 2 217.228 1.062 20 0 BDADLO CCn1ncc(NC(=O)C[C@@H]([NH3+])C(F)F)c1C ZINC001340953995 979175499 /nfs/dbraw/zinc/17/54/99/979175499.db2.gz PNZHHSPFNVKDRA-SSDOTTSWSA-N 1 2 246.261 1.132 20 0 BDADLO CCC(CC)(CC(=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001595057261 979298368 /nfs/dbraw/zinc/29/83/68/979298368.db2.gz IRLAFKAGLJCXSI-LLVKDONJSA-N 1 2 242.363 1.704 20 0 BDADLO CCC(CC)(CC(=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC001595057261 979298371 /nfs/dbraw/zinc/29/83/71/979298371.db2.gz IRLAFKAGLJCXSI-LLVKDONJSA-N 1 2 242.363 1.704 20 0 BDADLO Cc1c(N)cccc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001341453163 979408267 /nfs/dbraw/zinc/40/82/67/979408267.db2.gz XHYDOKPSWSXJFY-MRVPVSSYSA-N 1 2 243.257 1.498 20 0 BDADLO OCCC[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001236157290 979412380 /nfs/dbraw/zinc/41/23/80/979412380.db2.gz DKQVHGAJNLGKDB-UHFFFAOYSA-N 1 2 226.707 1.476 20 0 BDADLO OCCC[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001236157290 979412394 /nfs/dbraw/zinc/41/23/94/979412394.db2.gz DKQVHGAJNLGKDB-UHFFFAOYSA-N 1 2 226.707 1.476 20 0 BDADLO [NH3+][C@H]1CCN(Cc2ccc(S)cc2)C1 ZINC001236174796 979434862 /nfs/dbraw/zinc/43/48/62/979434862.db2.gz YTWSKCPTEBUNRQ-JTQLQIEISA-N 1 2 208.330 1.508 20 0 BDADLO Sc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC001236288242 979494017 /nfs/dbraw/zinc/49/40/17/979494017.db2.gz GGYDTUYDWSTPTE-PWSUYJOCSA-N 1 2 220.341 1.379 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2C[C@H]2C2CC2)o1 ZINC001341625431 979497340 /nfs/dbraw/zinc/49/73/40/979497340.db2.gz LAABQLKBDJKXBE-IUCAKERBSA-N 1 2 207.277 1.645 20 0 BDADLO C[C@@H](C(=O)N[C@]1(C)CCCOC1)n1cc[nH+]c1 ZINC001341674602 979516878 /nfs/dbraw/zinc/51/68/78/979516878.db2.gz GNEBTFVCOVBLAD-CMPLNLGQSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@H](C(=O)N[C@]1(C)CCCOC1)n1cc[nH+]c1 ZINC001341674607 979521739 /nfs/dbraw/zinc/52/17/39/979521739.db2.gz GNEBTFVCOVBLAD-ZYHUDNBSSA-N 1 2 237.303 1.129 20 0 BDADLO OCc1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001203188927 979550951 /nfs/dbraw/zinc/55/09/51/979550951.db2.gz DIBQFDYPVOCTRH-UHFFFAOYSA-N 1 2 219.284 1.154 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c[nH]c(C(=O)[O-])c1 ZINC001604247395 979606411 /nfs/dbraw/zinc/60/64/11/979606411.db2.gz PUGGTMOWIOKCSY-VIFPVBQESA-N 1 2 248.286 1.088 20 0 BDADLO CC[N@H+](Cc1ccc(F)c(O)c1)C1COC1 ZINC001236712187 979702152 /nfs/dbraw/zinc/70/21/52/979702152.db2.gz ZVDGYBYLAHVKRT-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO CC[N@@H+](Cc1ccc(F)c(O)c1)C1COC1 ZINC001236712187 979702160 /nfs/dbraw/zinc/70/21/60/979702160.db2.gz ZVDGYBYLAHVKRT-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO C[N@H+](CCF)Cc1ccc(F)c(O)c1 ZINC001236713110 979703161 /nfs/dbraw/zinc/70/31/61/979703161.db2.gz MSIQOYAOZJCZBF-UHFFFAOYSA-N 1 2 201.216 1.933 20 0 BDADLO C[N@@H+](CCF)Cc1ccc(F)c(O)c1 ZINC001236713110 979703170 /nfs/dbraw/zinc/70/31/70/979703170.db2.gz MSIQOYAOZJCZBF-UHFFFAOYSA-N 1 2 201.216 1.933 20 0 BDADLO C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001604753664 979713462 /nfs/dbraw/zinc/71/34/62/979713462.db2.gz HFHAGGHQNWYZGZ-WISYIIOYSA-N 1 2 240.347 1.027 20 0 BDADLO C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001604753664 979713477 /nfs/dbraw/zinc/71/34/77/979713477.db2.gz HFHAGGHQNWYZGZ-WISYIIOYSA-N 1 2 240.347 1.027 20 0 BDADLO C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001604753665 979717851 /nfs/dbraw/zinc/71/78/51/979717851.db2.gz HFHAGGHQNWYZGZ-WYUUTHIRSA-N 1 2 240.347 1.027 20 0 BDADLO C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001604753665 979717862 /nfs/dbraw/zinc/71/78/62/979717862.db2.gz HFHAGGHQNWYZGZ-WYUUTHIRSA-N 1 2 240.347 1.027 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2occc21 ZINC001236744601 979726310 /nfs/dbraw/zinc/72/63/10/979726310.db2.gz YWMSEKFWMVRLFS-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2occc21 ZINC001236744601 979726320 /nfs/dbraw/zinc/72/63/20/979726320.db2.gz YWMSEKFWMVRLFS-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cn3ccnc3s2)n1 ZINC001183179853 979755639 /nfs/dbraw/zinc/75/56/39/979755639.db2.gz JPGYQPCUVSTJOA-UHFFFAOYSA-N 1 2 233.300 1.409 20 0 BDADLO CC[C@H]([NH2+]CC[NH2+]C)c1ccc(C(=O)[O-])cc1 ZINC001605096862 979815999 /nfs/dbraw/zinc/81/59/99/979815999.db2.gz IYHLCRZBIUJQLU-LBPRGKRZSA-N 1 2 236.315 1.645 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1C ZINC001237155442 979823844 /nfs/dbraw/zinc/82/38/44/979823844.db2.gz RNJRASXUYSGJAP-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1C ZINC001237155442 979823847 /nfs/dbraw/zinc/82/38/47/979823847.db2.gz RNJRASXUYSGJAP-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO Cc1cc(CCC(=O)OCc2c[nH+]cn2C)no1 ZINC001342725172 979878817 /nfs/dbraw/zinc/87/88/17/979878817.db2.gz XZXHZJARGSALGV-UHFFFAOYSA-N 1 2 249.270 1.393 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc3ccccn3n2)CC[C@H]1F ZINC001237438514 979892697 /nfs/dbraw/zinc/89/26/97/979892697.db2.gz IAGPHLMNTCCASJ-CHWSQXEVSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc3ccccn3n2)CC[C@H]1F ZINC001237438514 979892700 /nfs/dbraw/zinc/89/27/00/979892700.db2.gz IAGPHLMNTCCASJ-CHWSQXEVSA-N 1 2 249.289 1.239 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC001237439503 979893524 /nfs/dbraw/zinc/89/35/24/979893524.db2.gz WWUNHJWHWFQVPX-JTQLQIEISA-N 1 2 238.262 1.412 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC001237439503 979893531 /nfs/dbraw/zinc/89/35/31/979893531.db2.gz WWUNHJWHWFQVPX-JTQLQIEISA-N 1 2 238.262 1.412 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc2ccccn2n1 ZINC001237452972 979899889 /nfs/dbraw/zinc/89/98/89/979899889.db2.gz IAJPNBOMESBXDH-ZDUSSCGKSA-N 1 2 231.299 1.555 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc2ccccn2n1 ZINC001237452972 979899893 /nfs/dbraw/zinc/89/98/93/979899893.db2.gz IAJPNBOMESBXDH-ZDUSSCGKSA-N 1 2 231.299 1.555 20 0 BDADLO Nc1ccc(CCC(=O)NCc2cc[nH]c2)c[nH+]1 ZINC001183934792 979903244 /nfs/dbraw/zinc/90/32/44/979903244.db2.gz CVLFSKXDBZCRDG-UHFFFAOYSA-N 1 2 244.298 1.241 20 0 BDADLO Nc1ccc(CCC(=O)N[C@H]2C[C@H]2C2CC2)c[nH+]1 ZINC001183940213 979905787 /nfs/dbraw/zinc/90/57/87/979905787.db2.gz WAAYUIYBKKQMER-RYUDHWBXSA-N 1 2 245.326 1.511 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cnn(C)c1 ZINC001237587647 979946045 /nfs/dbraw/zinc/94/60/45/979946045.db2.gz HRPMQSRFTUWGJF-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001606295039 979992367 /nfs/dbraw/zinc/99/23/67/979992367.db2.gz MAVGSRATTMHEOE-YUMQZZPRSA-N 1 2 242.344 1.705 20 0 BDADLO Cc1coc(C[NH+]2CCC(n3cnnc3)CC2)n1 ZINC001237644267 979995795 /nfs/dbraw/zinc/99/57/95/979995795.db2.gz CWGNMWPZBQRSBH-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO CC[C@H](C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184317211 980006220 /nfs/dbraw/zinc/00/62/20/980006220.db2.gz SHARLTLATLAEKL-VIFPVBQESA-N 1 2 245.282 1.888 20 0 BDADLO CC(C)CC(=O)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001184331951 980034122 /nfs/dbraw/zinc/03/41/22/980034122.db2.gz FUVRILHBTZWXSX-UHFFFAOYSA-N 1 2 240.347 1.201 20 0 BDADLO COc1ccc(C)c(C[NH+]2CCN(C#N)CC2)c1 ZINC001237718691 980039643 /nfs/dbraw/zinc/03/96/43/980039643.db2.gz SWOHSRBOGXNITB-UHFFFAOYSA-N 1 2 245.326 1.602 20 0 BDADLO CC[N@H+](Cc1cccc2c1OCC2)C1COC1 ZINC001237748311 980040798 /nfs/dbraw/zinc/04/07/98/980040798.db2.gz GCMPQJYQAMYBDR-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO CC[N@@H+](Cc1cccc2c1OCC2)C1COC1 ZINC001237748311 980040808 /nfs/dbraw/zinc/04/08/08/980040808.db2.gz GCMPQJYQAMYBDR-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@]23CCOC3)ccc1F ZINC001237821792 980071826 /nfs/dbraw/zinc/07/18/26/980071826.db2.gz FCAMLGIKNLWPNH-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@]23CCOC3)ccc1F ZINC001237821792 980071836 /nfs/dbraw/zinc/07/18/36/980071836.db2.gz FCAMLGIKNLWPNH-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1CCNC(=O)C1(C)C ZINC001238100360 980145372 /nfs/dbraw/zinc/14/53/72/980145372.db2.gz ZVHZYUVJSKEVSG-UHFFFAOYSA-N 1 2 248.326 1.411 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1CCNC(=O)C1(C)C ZINC001238100360 980145378 /nfs/dbraw/zinc/14/53/78/980145378.db2.gz ZVHZYUVJSKEVSG-UHFFFAOYSA-N 1 2 248.326 1.411 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001238106516 980155418 /nfs/dbraw/zinc/15/54/18/980155418.db2.gz LVQMWMFGUQWEPT-NSHDSACASA-N 1 2 248.326 1.363 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001238106516 980155421 /nfs/dbraw/zinc/15/54/21/980155421.db2.gz LVQMWMFGUQWEPT-NSHDSACASA-N 1 2 248.326 1.363 20 0 BDADLO Cc1oc(C[NH2+]CC2([NH3+])CCC2)cc1C(=O)[O-] ZINC001608050389 980155493 /nfs/dbraw/zinc/15/54/93/980155493.db2.gz FYLACXHSEBSFNJ-UHFFFAOYSA-N 1 2 238.287 1.257 20 0 BDADLO Cc1ccc(O)cc1CN1CCn2c[nH+]cc2C1 ZINC001238107582 980156195 /nfs/dbraw/zinc/15/61/95/980156195.db2.gz SRFBEYBSDOUQKI-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO CC(=O)NCCOC1C[NH+](Cc2ccccc2)C1 ZINC001205322851 980165878 /nfs/dbraw/zinc/16/58/78/980165878.db2.gz MECGQTYIUMXWQR-UHFFFAOYSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2c(N)ccnc2F)C1 ZINC001238154609 980181386 /nfs/dbraw/zinc/18/13/86/980181386.db2.gz WGCFNHBYBWEOGY-SECBINFHSA-N 1 2 239.294 1.271 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2c(N)ccnc2F)C1 ZINC001238154609 980181391 /nfs/dbraw/zinc/18/13/91/980181391.db2.gz WGCFNHBYBWEOGY-SECBINFHSA-N 1 2 239.294 1.271 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2c(N)ccnc2F)C1 ZINC001238154611 980183188 /nfs/dbraw/zinc/18/31/88/980183188.db2.gz WGCFNHBYBWEOGY-VIFPVBQESA-N 1 2 239.294 1.271 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2c(N)ccnc2F)C1 ZINC001238154611 980183193 /nfs/dbraw/zinc/18/31/93/980183193.db2.gz WGCFNHBYBWEOGY-VIFPVBQESA-N 1 2 239.294 1.271 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc(C3CCC3)ccn2)C1 ZINC001185313599 980218025 /nfs/dbraw/zinc/21/80/25/980218025.db2.gz JLIPBGFRUBTVIU-UHFFFAOYSA-N 1 2 245.326 1.393 20 0 BDADLO Cc1cnc(C[NH+]2CCN(C3CC3)CC2)c(C)c1 ZINC001238424377 980251966 /nfs/dbraw/zinc/25/19/66/980251966.db2.gz ARJICVNMJKRPAK-UHFFFAOYSA-N 1 2 245.370 1.978 20 0 BDADLO Cc1cnc(C[N@@H+](C)C2(C)COC2)c(C)c1 ZINC001238442805 980266283 /nfs/dbraw/zinc/26/62/83/980266283.db2.gz UWQMWVSVKWJWAQ-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cnc(C[N@H+](C)C2(C)COC2)c(C)c1 ZINC001238442805 980266289 /nfs/dbraw/zinc/26/62/89/980266289.db2.gz UWQMWVSVKWJWAQ-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CN(c1cc(N)cc(Cl)[nH+]1)[C@H]1CCOC1 ZINC000154481665 980302044 /nfs/dbraw/zinc/30/20/44/980302044.db2.gz OCOGRPCVCLVNQM-QMMMGPOBSA-N 1 2 227.695 1.542 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1(C(=O)[O-])CCC1 ZINC001595289102 980376107 /nfs/dbraw/zinc/37/61/07/980376107.db2.gz FKBXQOMAJVIMOM-QWRGUYRKSA-N 1 2 242.363 1.560 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc[nH+]1 ZINC000691660309 980379284 /nfs/dbraw/zinc/37/92/84/980379284.db2.gz GTVDGUIWHWDUEX-VHSXEESVSA-N 1 2 234.303 1.498 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)[nH+]cn1 ZINC000691660309 980379288 /nfs/dbraw/zinc/37/92/88/980379288.db2.gz GTVDGUIWHWDUEX-VHSXEESVSA-N 1 2 234.303 1.498 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc[nH+]1 ZINC000691660308 980380285 /nfs/dbraw/zinc/38/02/85/980380285.db2.gz GTVDGUIWHWDUEX-UWVGGRQHSA-N 1 2 234.303 1.498 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@H](C3CC3)C2)[nH+]cn1 ZINC000691660308 980380293 /nfs/dbraw/zinc/38/02/93/980380293.db2.gz GTVDGUIWHWDUEX-UWVGGRQHSA-N 1 2 234.303 1.498 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001344597343 980443591 /nfs/dbraw/zinc/44/35/91/980443591.db2.gz QAVBEJYFBKDCLJ-NQBHXWOUSA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001344597343 980443597 /nfs/dbraw/zinc/44/35/97/980443597.db2.gz QAVBEJYFBKDCLJ-NQBHXWOUSA-N 1 2 241.306 1.764 20 0 BDADLO Cc1c[nH+]c(C)c(N(C)c2nccnc2N)c1 ZINC001203656631 980489098 /nfs/dbraw/zinc/48/90/98/980489098.db2.gz YBYKRJIMGNQFLP-UHFFFAOYSA-N 1 2 229.287 1.839 20 0 BDADLO O=C([C@@H]1CCC=N1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001187366031 980504562 /nfs/dbraw/zinc/50/45/62/980504562.db2.gz SNIVAYWUPCWNDS-QWRGUYRKSA-N 1 2 246.314 1.349 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1CCC=N1 ZINC001187377511 980510155 /nfs/dbraw/zinc/51/01/55/980510155.db2.gz UXVQLXVBDFZSOZ-LBPRGKRZSA-N 1 2 246.314 1.458 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCn1cccn1 ZINC001344973041 980510439 /nfs/dbraw/zinc/51/04/39/980510439.db2.gz ZOZJVJMUAUKURX-UHFFFAOYSA-N 1 2 248.286 1.233 20 0 BDADLO CCN(C(=O)c1c[nH]cc1C)C1C[NH+](C)C1 ZINC001187797016 980551097 /nfs/dbraw/zinc/55/10/97/980551097.db2.gz UEDSPYZGRISCOA-UHFFFAOYSA-N 1 2 221.304 1.099 20 0 BDADLO CCN(C(=O)c1cc(C)n(C)c1)C1C[NH+](C)C1 ZINC001188071750 980587692 /nfs/dbraw/zinc/58/76/92/980587692.db2.gz DTRBYXGLVHVWRF-UHFFFAOYSA-N 1 2 235.331 1.110 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cc[nH]c2C)[nH+]1 ZINC001188162960 980608588 /nfs/dbraw/zinc/60/85/88/980608588.db2.gz VROVUFZHFZMKSC-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO Cc1cc(N)nc(SCc2ccc[nH+]c2N)n1 ZINC001188407257 980647028 /nfs/dbraw/zinc/64/70/28/980647028.db2.gz AYSRBZGQDUNZKI-UHFFFAOYSA-N 1 2 247.327 1.637 20 0 BDADLO Oc1cc(F)ccc1CC[NH+]1CCOCC1 ZINC001250278261 980649976 /nfs/dbraw/zinc/64/99/76/980649976.db2.gz YHAVFYBSLVSNSB-UHFFFAOYSA-N 1 2 225.263 1.406 20 0 BDADLO C[C@H](C(=O)NC[C@@H](C)CC(F)F)n1cc[nH+]c1 ZINC001346082869 980749674 /nfs/dbraw/zinc/74/96/74/980749674.db2.gz UFFDULCYVRNOBZ-DTWKUNHWSA-N 1 2 245.273 1.852 20 0 BDADLO C[N@H+](Cc1ccc(CO)cc1)C1CC[NH+](C)CC1 ZINC000084896440 980758945 /nfs/dbraw/zinc/75/89/45/980758945.db2.gz YVXIMSXKVUVTIZ-UHFFFAOYSA-N 1 2 248.370 1.705 20 0 BDADLO COC(=O)Cc1ccccc1CCn1cc[nH+]c1 ZINC001250319579 980765465 /nfs/dbraw/zinc/76/54/65/980765465.db2.gz VUMALKNKAQIDPS-UHFFFAOYSA-N 1 2 244.294 1.841 20 0 BDADLO CC(C)OCC(=O)OCCCc1c[nH+]cn1C ZINC001346227360 980787020 /nfs/dbraw/zinc/78/70/20/980787020.db2.gz VAWJVIMSYPPQBZ-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nncn2C)cnn1C ZINC001346217209 980788172 /nfs/dbraw/zinc/78/81/72/980788172.db2.gz KPNFCOMHRDDJBC-BDAKNGLRSA-N 1 2 248.334 1.269 20 0 BDADLO Cc1nnc(Cc2ccn3cc[nH+]c3c2)o1 ZINC001250338397 980808899 /nfs/dbraw/zinc/80/88/99/980808899.db2.gz HQXRQPQJLBPEGB-UHFFFAOYSA-N 1 2 214.228 1.617 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OC(C)C)[C@@H]1CCCCO1 ZINC001346438739 980838477 /nfs/dbraw/zinc/83/84/77/980838477.db2.gz QOMMIMANGWUQTM-RYUDHWBXSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C1CC1 ZINC001346478963 980849086 /nfs/dbraw/zinc/84/90/86/980849086.db2.gz WUZUHSYAQGPUMT-MXQLGCADSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C1CC1 ZINC001346478963 980849088 /nfs/dbraw/zinc/84/90/88/980849088.db2.gz WUZUHSYAQGPUMT-MXQLGCADSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)CCc1[nH+]ccn1C ZINC001346680871 980882262 /nfs/dbraw/zinc/88/22/62/980882262.db2.gz CIMMLCIRIQLXFM-QWRGUYRKSA-N 1 2 235.331 1.752 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CSC1CC1 ZINC001346748019 980898095 /nfs/dbraw/zinc/89/80/95/980898095.db2.gz PMRGLEVYKSQPOE-UHFFFAOYSA-N 1 2 240.328 1.842 20 0 BDADLO CCCCNC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001190640644 980902142 /nfs/dbraw/zinc/90/21/42/980902142.db2.gz CZAZYRORDPQOSL-UHFFFAOYSA-N 1 2 248.330 1.370 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)n(C)n1 ZINC001346842550 980919596 /nfs/dbraw/zinc/91/95/96/980919596.db2.gz PZKSJZAJZBCYRK-KOLCDFICSA-N 1 2 246.318 1.116 20 0 BDADLO C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001346845349 980921443 /nfs/dbraw/zinc/92/14/43/980921443.db2.gz BRLLPFRYRBNCGO-SNVBAGLBSA-N 1 2 221.304 1.364 20 0 BDADLO CNc1cc(CNC(=O)N[C@@H]2CC[C@@H]2C)cc[nH+]1 ZINC001346970000 980941113 /nfs/dbraw/zinc/94/11/13/980941113.db2.gz COMYHPGHDHNILK-GXSJLCMTSA-N 1 2 248.330 1.721 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CC1(C)C ZINC001347174523 981001383 /nfs/dbraw/zinc/00/13/83/981001383.db2.gz XBEWODBPMKNMTI-VIFPVBQESA-N 1 2 221.304 1.267 20 0 BDADLO CCC[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001347336624 981049921 /nfs/dbraw/zinc/04/99/21/981049921.db2.gz XKBAXSWHXSLZCN-NSHDSACASA-N 1 2 237.347 2.000 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(CCF)CC1 ZINC001347337920 981051273 /nfs/dbraw/zinc/05/12/73/981051273.db2.gz AHRSCXUHYTXKOM-UHFFFAOYSA-N 1 2 239.294 1.219 20 0 BDADLO CCCCCCNC(=O)N(CC)C1C[NH+](C)C1 ZINC001191972285 981113631 /nfs/dbraw/zinc/11/36/31/981113631.db2.gz YXHLNCGCUVPLSH-UHFFFAOYSA-N 1 2 241.379 1.912 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCc1ccsc1 ZINC001347570092 981120725 /nfs/dbraw/zinc/12/07/25/981120725.db2.gz WTYNDRFOGQIYHJ-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CON(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC001347689856 981144504 /nfs/dbraw/zinc/14/45/04/981144504.db2.gz RDKQTIODXVUQOV-UHFFFAOYSA-N 1 2 211.265 1.141 20 0 BDADLO COc1cnc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240213460 981160830 /nfs/dbraw/zinc/16/08/30/981160830.db2.gz AQYMCAFJLZWMMY-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO NC(=O)c1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218049 981166711 /nfs/dbraw/zinc/16/67/11/981166711.db2.gz XVMCWHIRXSILQI-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO c1cn(Cc2ccc(-c3cn[nH]c3)nc2)c[nH+]1 ZINC001240239957 981208167 /nfs/dbraw/zinc/20/81/67/981208167.db2.gz ADJCNQAOYJXYDS-UHFFFAOYSA-N 1 2 225.255 1.717 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cn[nH]c2)cc1 ZINC001240243238 981220406 /nfs/dbraw/zinc/22/04/06/981220406.db2.gz ZZIHOQURBCEDMF-LLVKDONJSA-N 1 2 231.255 1.250 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@H](O)CC2)[nH+]1 ZINC001348195295 981307742 /nfs/dbraw/zinc/30/77/42/981307742.db2.gz LNPIBYJBLJCFJS-LLVKDONJSA-N 1 2 224.279 1.880 20 0 BDADLO CC(=O)NCc1cccc(-c2c[nH+]cn2C)c1 ZINC001240349119 981310075 /nfs/dbraw/zinc/31/00/75/981310075.db2.gz GGNIZPBTESOFAK-UHFFFAOYSA-N 1 2 229.283 1.723 20 0 BDADLO CNc1cc(CNC(=O)NC(C)(C)C)cc[nH+]1 ZINC001348263843 981322320 /nfs/dbraw/zinc/32/23/20/981322320.db2.gz LJFOODWHCJUNSM-UHFFFAOYSA-N 1 2 236.319 1.721 20 0 BDADLO C[C@H](C(=O)N[C@]12C[C@H]1COC2(C)C)n1cc[nH+]c1 ZINC001348395639 981352453 /nfs/dbraw/zinc/35/24/53/981352453.db2.gz BVVCNZBJHMBSAY-GBIKHYSHSA-N 1 2 249.314 1.128 20 0 BDADLO C[C@H](C(=O)NCC(=O)C1CCCC1)n1cc[nH+]c1 ZINC001348411749 981357956 /nfs/dbraw/zinc/35/79/56/981357956.db2.gz PKXYQVSKMBIPOO-SNVBAGLBSA-N 1 2 249.314 1.320 20 0 BDADLO COc1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240496266 981415289 /nfs/dbraw/zinc/41/52/89/981415289.db2.gz KLBPMCDBMQYJJL-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Fc1nccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496565 981418904 /nfs/dbraw/zinc/41/89/04/981418904.db2.gz FWTQMGWZTYHDSZ-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC001203784324 981492758 /nfs/dbraw/zinc/49/27/58/981492758.db2.gz UICDGDXTJVMIAC-RYUDHWBXSA-N 1 2 227.254 1.994 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC001203784324 981492761 /nfs/dbraw/zinc/49/27/61/981492761.db2.gz UICDGDXTJVMIAC-RYUDHWBXSA-N 1 2 227.254 1.994 20 0 BDADLO COC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001193918279 981518387 /nfs/dbraw/zinc/51/83/87/981518387.db2.gz DRNFYDVGIIYHMG-UHFFFAOYSA-N 1 2 219.244 1.499 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001349316876 981530298 /nfs/dbraw/zinc/53/02/98/981530298.db2.gz NLIOTRCYQAMXNF-NXEZZACHSA-N 1 2 221.304 1.125 20 0 BDADLO Cc1cc(-c2cnn([C@@H]3CCOC3)c2)c[nH+]c1N ZINC001240637300 981530843 /nfs/dbraw/zinc/53/08/43/981530843.db2.gz OMVZCAFHRXCINQ-GFCCVEGCSA-N 1 2 244.298 1.797 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C(C)(F)F)CC1 ZINC001349537332 981571986 /nfs/dbraw/zinc/57/19/86/981571986.db2.gz BEHFHQRCKJETCD-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO Oc1ccc(F)cc1-c1ncc2c(n1)C[NH2+]CC2 ZINC001240693269 981597766 /nfs/dbraw/zinc/59/77/66/981597766.db2.gz KEBMTPANGVRXAS-UHFFFAOYSA-N 1 2 245.257 1.634 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(C)CCC2)c1 ZINC001583333869 981813204 /nfs/dbraw/zinc/81/32/04/981813204.db2.gz VYPRGOITCIFITH-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO COc1cc(C)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001583966607 981844565 /nfs/dbraw/zinc/84/45/65/981844565.db2.gz QGSWWTAWXFPUQM-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(C)Cc1ccns1 ZINC001584149964 981856722 /nfs/dbraw/zinc/85/67/22/981856722.db2.gz AVSUMAUQVQXQBW-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(C)Cc1ccns1 ZINC001584149964 981856724 /nfs/dbraw/zinc/85/67/24/981856724.db2.gz AVSUMAUQVQXQBW-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CSCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001194777668 981872592 /nfs/dbraw/zinc/87/25/92/981872592.db2.gz IIRULTFZOGSTOL-UHFFFAOYSA-N 1 2 248.367 1.243 20 0 BDADLO CSCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001194777668 981872599 /nfs/dbraw/zinc/87/25/99/981872599.db2.gz IIRULTFZOGSTOL-UHFFFAOYSA-N 1 2 248.367 1.243 20 0 BDADLO CC[C@@H](C)COC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001194813969 981908192 /nfs/dbraw/zinc/90/81/92/981908192.db2.gz COFSRAOIXCDKBB-GHMZBOCLSA-N 1 2 244.335 1.089 20 0 BDADLO CC[C@@H](C)COC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001194813969 981908196 /nfs/dbraw/zinc/90/81/96/981908196.db2.gz COFSRAOIXCDKBB-GHMZBOCLSA-N 1 2 244.335 1.089 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CO[C@H](C)C1 ZINC001350346167 981933686 /nfs/dbraw/zinc/93/36/86/981933686.db2.gz ZGRKFNHUICIOPR-ZJUUUORDSA-N 1 2 238.287 1.371 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC#N)c1 ZINC001194917601 981966730 /nfs/dbraw/zinc/96/67/30/981966730.db2.gz NPHXWSGAYQPXPJ-UHFFFAOYSA-N 1 2 226.239 1.298 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccnc1C ZINC001586938974 982036415 /nfs/dbraw/zinc/03/64/15/982036415.db2.gz YLROVGNIZSQYOJ-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO CC/C=C(/C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195079787 982064286 /nfs/dbraw/zinc/06/42/86/982064286.db2.gz UXEXZFDXSFJLDP-XGICHPGQSA-N 1 2 242.338 1.847 20 0 BDADLO CC/C=C(/C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195079787 982064299 /nfs/dbraw/zinc/06/42/99/982064299.db2.gz UXEXZFDXSFJLDP-XGICHPGQSA-N 1 2 242.338 1.847 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC(F)(F)C1 ZINC001587974110 982103721 /nfs/dbraw/zinc/10/37/21/982103721.db2.gz HODAWSZBYUDANJ-QMMMGPOBSA-N 1 2 243.257 1.565 20 0 BDADLO CN1Cc2cccc(-c3cc[nH+]c(N)c3)c2C1=O ZINC001241163250 982301708 /nfs/dbraw/zinc/30/17/08/982301708.db2.gz SBMQECLJKWXBPD-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CO[C@H](C2CC2)C1)n1cc[nH+]c1 ZINC001351652988 982353466 /nfs/dbraw/zinc/35/34/66/982353466.db2.gz LCLIRIGDMSGUCC-USWWRNFRSA-N 1 2 249.314 1.128 20 0 BDADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)C=CCC1 ZINC001351783100 982383918 /nfs/dbraw/zinc/38/39/18/982383918.db2.gz QJSRBQYYFSQJNX-CYBMUJFWSA-N 1 2 231.299 1.582 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cn(C)c(=O)cn1 ZINC001241244003 982390076 /nfs/dbraw/zinc/39/00/76/982390076.db2.gz REYLPADHNAIBDK-UHFFFAOYSA-N 1 2 244.298 1.217 20 0 BDADLO C[C@@H]([NH2+]Cc1ncnn1C)c1cccnc1 ZINC000083970589 982402721 /nfs/dbraw/zinc/40/27/21/982402721.db2.gz ZFSXIRMRQPJKDP-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO C[C@]1(CO)CCCN(c2nccn3c[nH+]cc23)C1 ZINC001351996667 982430802 /nfs/dbraw/zinc/43/08/02/982430802.db2.gz DMYUQCCENZDJDZ-ZDUSSCGKSA-N 1 2 246.314 1.328 20 0 BDADLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC001352243132 982496540 /nfs/dbraw/zinc/49/65/40/982496540.db2.gz MLKOHYNYVADSBX-BXKDBHETSA-N 1 2 249.314 1.042 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCCC1CC1 ZINC001352243291 982497128 /nfs/dbraw/zinc/49/71/28/982497128.db2.gz VOOHVTHBDMQPFW-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC(C)(F)F ZINC001352249803 982500828 /nfs/dbraw/zinc/50/08/28/982500828.db2.gz BKQLPLMHWOPPPU-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO C/C=C(/C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100017846 982513719 /nfs/dbraw/zinc/51/37/19/982513719.db2.gz IBHZJXLNSNFAMT-YHYXMXQVSA-N 1 2 248.330 1.304 20 0 BDADLO C/C=C(\C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100017844 982514783 /nfs/dbraw/zinc/51/47/83/982514783.db2.gz IBHZJXLNSNFAMT-BJMVGYQFSA-N 1 2 248.330 1.304 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)OCCN2 ZINC001241449582 982601915 /nfs/dbraw/zinc/60/19/15/982601915.db2.gz KTNDJXAGMRZZOP-UHFFFAOYSA-N 1 2 215.256 1.891 20 0 BDADLO C=CS(=O)(=O)Nc1ccn2cc[nH+]c2c1 ZINC001198579621 982800507 /nfs/dbraw/zinc/80/05/07/982800507.db2.gz ZBMJIAQHGHAXOW-UHFFFAOYSA-N 1 2 223.257 1.220 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)OCC[C@H]2C)s1 ZINC001198762173 982834092 /nfs/dbraw/zinc/83/40/92/982834092.db2.gz XWGPKGVHCXXJIC-RKDXNWHRSA-N 1 2 241.360 1.846 20 0 BDADLO COCNC(=S)Nc1cccc2[nH+]ccn21 ZINC001198796978 982845290 /nfs/dbraw/zinc/84/52/90/982845290.db2.gz LZTHNIQGFILNFY-UHFFFAOYSA-N 1 2 236.300 1.225 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CCc2c[nH]nc2C1 ZINC001353582555 982898952 /nfs/dbraw/zinc/89/89/52/982898952.db2.gz VLXQESMUKLMLCU-UHFFFAOYSA-N 1 2 243.314 1.254 20 0 BDADLO CCOC[C@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252016134 983072559 /nfs/dbraw/zinc/07/25/59/983072559.db2.gz VWTPLMKFNYIKHC-LLVKDONJSA-N 1 2 249.314 1.452 20 0 BDADLO Nc1ccc(Nc2ccc3c(c2)CC(=O)N3)c[nH+]1 ZINC001201286858 983163310 /nfs/dbraw/zinc/16/33/10/983163310.db2.gz DSKPCHJQVYJVQD-UHFFFAOYSA-N 1 2 240.266 1.902 20 0 BDADLO CNC(=O)c1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201287210 983166514 /nfs/dbraw/zinc/16/65/14/983166514.db2.gz ZGGMFYSGHXOGGK-UHFFFAOYSA-N 1 2 242.282 1.767 20 0 BDADLO Nc1ccc(Nc2ccc(=O)[nH]c2)c[nH+]1 ZINC001201272693 983171486 /nfs/dbraw/zinc/17/14/86/983171486.db2.gz SNPRIZVLLBZEPV-UHFFFAOYSA-N 1 2 202.217 1.508 20 0 BDADLO Cc1cc(O)cnc1Nc1ccc(N)[nH+]c1 ZINC001201272698 983173403 /nfs/dbraw/zinc/17/34/03/983173403.db2.gz SVPMRJRAQJZZIY-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO CC(=O)N1CC=C(c2cccc(N)[nH+]2)CC1 ZINC001241965319 983174097 /nfs/dbraw/zinc/17/40/97/983174097.db2.gz VXXIEPURXRLVKH-UHFFFAOYSA-N 1 2 217.272 1.299 20 0 BDADLO CCc1cnc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201276346 983177033 /nfs/dbraw/zinc/17/70/33/983177033.db2.gz UMJMPASBAAHJGW-UHFFFAOYSA-N 1 2 215.260 1.760 20 0 BDADLO NC(=O)c1ccc(Nc2ccc(N)[nH+]c2)cc1F ZINC001201300005 983180123 /nfs/dbraw/zinc/18/01/23/983180123.db2.gz JVBBOAGTGAZYFM-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO CCOC1CC(N(C)c2cc(N)nc[nH+]2)C1 ZINC001354196668 983191774 /nfs/dbraw/zinc/19/17/74/983191774.db2.gz ZBHJSNOOBFFMNJ-UHFFFAOYSA-N 1 2 222.292 1.063 20 0 BDADLO CN(c1cc(N)nc[nH+]1)[C@H](CO)CC(C)(C)C ZINC001354213682 983198382 /nfs/dbraw/zinc/19/83/82/983198382.db2.gz NEWHFSBZXFRAJY-VIFPVBQESA-N 1 2 238.335 1.292 20 0 BDADLO CNC(=S)Nc1ccc2[nH+]ccn2c1 ZINC001200600834 983205865 /nfs/dbraw/zinc/20/58/65/983205865.db2.gz SIUIWQJNRRGHRQ-UHFFFAOYSA-N 1 2 206.274 1.251 20 0 BDADLO O=C1CC[N@@H+](C[C@H]2CC=CCC2)C[C@H]1F ZINC001201423802 983225249 /nfs/dbraw/zinc/22/52/49/983225249.db2.gz SSSKJYRYLXWMFP-WDEREUQCSA-N 1 2 211.280 1.956 20 0 BDADLO O=C1CC[N@H+](C[C@H]2CC=CCC2)C[C@H]1F ZINC001201423802 983225254 /nfs/dbraw/zinc/22/52/54/983225254.db2.gz SSSKJYRYLXWMFP-WDEREUQCSA-N 1 2 211.280 1.956 20 0 BDADLO CC(C)(C)C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201441637 983246666 /nfs/dbraw/zinc/24/66/66/983246666.db2.gz IOQZOVRSMXHBBO-UHFFFAOYSA-N 1 2 247.342 1.776 20 0 BDADLO CC(C)(C)C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201441637 983246676 /nfs/dbraw/zinc/24/66/76/983246676.db2.gz IOQZOVRSMXHBBO-UHFFFAOYSA-N 1 2 247.342 1.776 20 0 BDADLO CSCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201679934 983390970 /nfs/dbraw/zinc/39/09/70/983390970.db2.gz MGCHZVUVFYEDSW-SECBINFHSA-N 1 2 239.331 1.689 20 0 BDADLO CSCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201679934 983390977 /nfs/dbraw/zinc/39/09/77/983390977.db2.gz MGCHZVUVFYEDSW-SECBINFHSA-N 1 2 239.331 1.689 20 0 BDADLO Nc1nnc(SCc2ccc[nH+]c2N)s1 ZINC001472927563 983397297 /nfs/dbraw/zinc/39/72/97/983397297.db2.gz JUYJEYRAGIHELX-UHFFFAOYSA-N 1 2 239.329 1.390 20 0 BDADLO Cc1cccn2c(CNCc3ccon3)c[nH+]c12 ZINC001200854696 983402742 /nfs/dbraw/zinc/40/27/42/983402742.db2.gz RRGFUEDKVYTRFJ-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1cccn2c(C[NH2+]Cc3ccon3)cnc12 ZINC001200854696 983402745 /nfs/dbraw/zinc/40/27/45/983402745.db2.gz RRGFUEDKVYTRFJ-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@@H+]1CC1CC1 ZINC001201875764 983496763 /nfs/dbraw/zinc/49/67/63/983496763.db2.gz HLZKSJGRZCWBMD-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@H+]1CC1CC1 ZINC001201875764 983496771 /nfs/dbraw/zinc/49/67/71/983496771.db2.gz HLZKSJGRZCWBMD-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO CC[C@H](C)N1CC2(C[NH+](C(C)C)C2)OCC1=O ZINC001273913329 983499240 /nfs/dbraw/zinc/49/92/40/983499240.db2.gz NDJJEXYLOLBMDS-NSHDSACASA-N 1 2 240.347 1.107 20 0 BDADLO OC[C@H]1C[N@H+](CC2CC2)CC(F)(F)C1 ZINC001201875956 983501810 /nfs/dbraw/zinc/50/18/10/983501810.db2.gz QZUKGOKHPRYDOD-SECBINFHSA-N 1 2 205.248 1.346 20 0 BDADLO OC[C@H]1C[N@@H+](CC2CC2)CC(F)(F)C1 ZINC001201875956 983501824 /nfs/dbraw/zinc/50/18/24/983501824.db2.gz QZUKGOKHPRYDOD-SECBINFHSA-N 1 2 205.248 1.346 20 0 BDADLO O=C([O-])c1c[nH+]ccc1N1CCc2[nH+]c[nH]c2C1 ZINC001356207702 983588940 /nfs/dbraw/zinc/58/89/40/983588940.db2.gz XSHIJDXNJDHNHY-UHFFFAOYSA-N 1 2 244.254 1.066 20 0 BDADLO O=C(c1c[nH]c2cc[nH+]cc12)N1C[C@@H]2C[C@@H]2C1 ZINC001152972033 983621565 /nfs/dbraw/zinc/62/15/65/983621565.db2.gz PRVNJZHUCIWMIH-DTORHVGOSA-N 1 2 227.267 1.655 20 0 BDADLO O=C1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001202319331 983632288 /nfs/dbraw/zinc/63/22/88/983632288.db2.gz MHRBDNRPDMXHRG-UHFFFAOYSA-N 1 2 209.211 1.994 20 0 BDADLO O=C1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001202319331 983632300 /nfs/dbraw/zinc/63/23/00/983632300.db2.gz MHRBDNRPDMXHRG-UHFFFAOYSA-N 1 2 209.211 1.994 20 0 BDADLO CCCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC001252106802 983652865 /nfs/dbraw/zinc/65/28/65/983652865.db2.gz QIBGXYXQMUKOTF-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO O=C1CCC[N@@H+](C[C@H]2CCOC2)C[C@H]1F ZINC001202463682 983669992 /nfs/dbraw/zinc/66/99/92/983669992.db2.gz CPLVCVQVDZUZBY-NXEZZACHSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[N@H+](C[C@H]2CCOC2)C[C@H]1F ZINC001202463682 983669998 /nfs/dbraw/zinc/66/99/98/983669998.db2.gz CPLVCVQVDZUZBY-NXEZZACHSA-N 1 2 215.268 1.026 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=O)NC(C)(C)C ZINC001202479543 983743587 /nfs/dbraw/zinc/74/35/87/983743587.db2.gz RIUKUYFOGWURJG-UHFFFAOYSA-N 1 2 238.335 1.713 20 0 BDADLO c1nc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)ccc2[nH]1 ZINC001137050077 983749054 /nfs/dbraw/zinc/74/90/54/983749054.db2.gz PUOIJWJNPSCQEH-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO c1nc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)ccc2[nH]1 ZINC001137050077 983749057 /nfs/dbraw/zinc/74/90/57/983749057.db2.gz PUOIJWJNPSCQEH-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO c1nc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)cc2[nH]1 ZINC001137050077 983749062 /nfs/dbraw/zinc/74/90/62/983749062.db2.gz PUOIJWJNPSCQEH-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO c1nc2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)cc2[nH]1 ZINC001137050077 983749066 /nfs/dbraw/zinc/74/90/66/983749066.db2.gz PUOIJWJNPSCQEH-VXGBXAGGSA-N 1 2 243.310 1.926 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC001357818291 983780531 /nfs/dbraw/zinc/78/05/31/983780531.db2.gz DKIZKZMNUMVSMA-WDEREUQCSA-N 1 2 238.287 1.278 20 0 BDADLO CCCNC(=O)NCc1c[nH+]cn1CCF ZINC001202603769 984112082 /nfs/dbraw/zinc/11/20/82/984112082.db2.gz RHHQPHRMHZPLJF-UHFFFAOYSA-N 1 2 228.271 1.062 20 0 BDADLO Clc1ccncc1C[NH+]1CC2(C1)CCOC2 ZINC001137231312 984198551 /nfs/dbraw/zinc/19/85/51/984198551.db2.gz JZCDBPQCNNCOIX-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO Cc1ccc[nH+]c1N1CCC[C@]12CCN(C)C2=O ZINC001274691194 984366530 /nfs/dbraw/zinc/36/65/30/984366530.db2.gz KKDLKBKOQHICTF-CQSZACIVSA-N 1 2 245.326 1.591 20 0 BDADLO COc1cccc([C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718306514 984425835 /nfs/dbraw/zinc/42/58/35/984425835.db2.gz MPTJLUCZAZKFPL-UBHSHLNASA-N 1 2 249.310 1.202 20 0 BDADLO COc1cccc([C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718306514 984425842 /nfs/dbraw/zinc/42/58/42/984425842.db2.gz MPTJLUCZAZKFPL-UBHSHLNASA-N 1 2 249.310 1.202 20 0 BDADLO Cc1ncsc1CN1CCC12C[NH+](C)C2 ZINC001275045294 984449140 /nfs/dbraw/zinc/44/91/40/984449140.db2.gz LZRZSOCLBYPNQP-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1ncsc1C[N@H+]1CCC12CN(C)C2 ZINC001275045294 984449159 /nfs/dbraw/zinc/44/91/59/984449159.db2.gz LZRZSOCLBYPNQP-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCC12CN(C)C2 ZINC001275045294 984449166 /nfs/dbraw/zinc/44/91/66/984449166.db2.gz LZRZSOCLBYPNQP-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1csnn1 ZINC001275051672 984456803 /nfs/dbraw/zinc/45/68/03/984456803.db2.gz CKJHSGRHFUBQLP-JGVFFNPUSA-N 1 2 242.348 1.103 20 0 BDADLO CON(C)C(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243066875 984479425 /nfs/dbraw/zinc/47/94/25/984479425.db2.gz CLHNTGNYFVPRKG-UHFFFAOYSA-N 1 2 245.282 1.721 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)OCC(=O)N2 ZINC001243067615 984481993 /nfs/dbraw/zinc/48/19/93/984481993.db2.gz MFUQNVCGPQOYFM-UHFFFAOYSA-N 1 2 229.239 1.418 20 0 BDADLO CNC(=O)Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC001243067337 984484319 /nfs/dbraw/zinc/48/43/19/984484319.db2.gz IRDHTMOJMNPGDZ-UHFFFAOYSA-N 1 2 229.283 1.376 20 0 BDADLO CON(C)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001243068436 984490238 /nfs/dbraw/zinc/49/02/38/984490238.db2.gz XCPBSCRMQOISKX-UHFFFAOYSA-N 1 2 245.282 1.721 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCN(C)C2=O ZINC001243069906 984492296 /nfs/dbraw/zinc/49/22/96/984492296.db2.gz NNRCSYLZGMOLGI-UHFFFAOYSA-N 1 2 241.294 1.715 20 0 BDADLO Cn1c[nH+]cc1-c1cc(F)c(C(N)=O)c(F)c1 ZINC001243070336 984493426 /nfs/dbraw/zinc/49/34/26/984493426.db2.gz SDIUQMLNNJWHLR-UHFFFAOYSA-N 1 2 237.209 1.464 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccnc1N(C)C ZINC001442619933 984502902 /nfs/dbraw/zinc/50/29/02/984502902.db2.gz ZBGLLRXJSNYCEG-LLVKDONJSA-N 1 2 248.330 1.180 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccnc1N(C)C ZINC001442619933 984502909 /nfs/dbraw/zinc/50/29/09/984502909.db2.gz ZBGLLRXJSNYCEG-LLVKDONJSA-N 1 2 248.330 1.180 20 0 BDADLO Cc1cc(-c2c[nH+]cn2C)cc2c1OCC(=O)N2 ZINC001243072661 984504592 /nfs/dbraw/zinc/50/45/92/984504592.db2.gz UGXIAQVESPXVAK-UHFFFAOYSA-N 1 2 243.266 1.726 20 0 BDADLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CC1(F)F ZINC001444200462 984551350 /nfs/dbraw/zinc/55/13/50/984551350.db2.gz MQBZMHMICRDHRI-VIFPVBQESA-N 1 2 229.230 1.114 20 0 BDADLO CC(C)c1cc(NC(=O)C[NH+]2CCCC2)no1 ZINC001444928729 984580395 /nfs/dbraw/zinc/58/03/95/984580395.db2.gz YSPJPGGIWBEPDJ-UHFFFAOYSA-N 1 2 237.303 1.832 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H](C)C1 ZINC001447851396 984793005 /nfs/dbraw/zinc/79/30/05/984793005.db2.gz XGZQSCASDHGOGK-JTQLQIEISA-N 1 2 235.331 1.909 20 0 BDADLO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC3(CCO3)C2)C1 ZINC001257061813 984849227 /nfs/dbraw/zinc/84/92/27/984849227.db2.gz WSFRSZGXYOVQDH-WDEREUQCSA-N 1 2 239.315 1.193 20 0 BDADLO CCC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001450157462 984861706 /nfs/dbraw/zinc/86/17/06/984861706.db2.gz VHCCDXUJWKWVKR-NSHDSACASA-N 1 2 239.319 1.274 20 0 BDADLO CCC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001450157462 984861710 /nfs/dbraw/zinc/86/17/10/984861710.db2.gz VHCCDXUJWKWVKR-NSHDSACASA-N 1 2 239.319 1.274 20 0 BDADLO CC[C@@H](C)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001257436594 985010735 /nfs/dbraw/zinc/01/07/35/985010735.db2.gz XXEUTUXHDFXQGL-RNCFNFMXSA-N 1 2 237.299 1.664 20 0 BDADLO Cc1nnc2ccc(-c3ccc[nH+]c3N)cn12 ZINC001243473481 985023196 /nfs/dbraw/zinc/02/31/96/985023196.db2.gz LVKCZIZSXXAFKG-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1CC(=O)NC2 ZINC001243476401 985027274 /nfs/dbraw/zinc/02/72/74/985027274.db2.gz AKRUKQQFLDTJBZ-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO Cc1cc(-c2cccnc2N)c[nH+]c1N ZINC001243475226 985028499 /nfs/dbraw/zinc/02/84/99/985028499.db2.gz GBOCXAJULFZRPU-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO COC(=O)c1ncc(F)cc1-c1ccc[nH+]c1N ZINC001243476841 985037386 /nfs/dbraw/zinc/03/73/86/985037386.db2.gz FPAOYVYUGWJPBY-UHFFFAOYSA-N 1 2 247.229 1.652 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)C1=CCCC1)CC2 ZINC001454534564 985039750 /nfs/dbraw/zinc/03/97/50/985039750.db2.gz UPOLMJLSOZZPLF-UHFFFAOYSA-N 1 2 243.310 1.659 20 0 BDADLO CC/C(C)=C/C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456144400 985114753 /nfs/dbraw/zinc/11/47/53/985114753.db2.gz NFLMYQXOXVNGPV-RMKNXTFCSA-N 1 2 221.304 1.945 20 0 BDADLO CCC(C)=CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456144400 985114758 /nfs/dbraw/zinc/11/47/58/985114758.db2.gz NFLMYQXOXVNGPV-RMKNXTFCSA-N 1 2 221.304 1.945 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@H](C)O[C@@H]2C)n1 ZINC000686470217 985121008 /nfs/dbraw/zinc/12/10/08/985121008.db2.gz JIKIDUOSHUYGGE-DJLDLDEBSA-N 1 2 225.292 1.460 20 0 BDADLO CCOCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456346437 985134099 /nfs/dbraw/zinc/13/40/99/985134099.db2.gz MDXJHHZDYBSPEN-UHFFFAOYSA-N 1 2 225.292 1.186 20 0 BDADLO CCOCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456346437 985134107 /nfs/dbraw/zinc/13/41/07/985134107.db2.gz MDXJHHZDYBSPEN-UHFFFAOYSA-N 1 2 225.292 1.186 20 0 BDADLO CCc1cn(CC2(CS(C)(=O)=O)CC2)c[nH+]1 ZINC001459264508 985430113 /nfs/dbraw/zinc/43/01/13/985430113.db2.gz WWNYINHHLYJZBM-UHFFFAOYSA-N 1 2 242.344 1.270 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(CCO)cc1 ZINC001243847958 985466854 /nfs/dbraw/zinc/46/68/54/985466854.db2.gz BFBNGWCACMFOIA-UHFFFAOYSA-N 1 2 214.268 1.866 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1COC2(CCC2)C1 ZINC000688285434 985608394 /nfs/dbraw/zinc/60/83/94/985608394.db2.gz HMTUFIZJFFEUKV-SECBINFHSA-N 1 2 222.263 1.766 20 0 BDADLO C[NH2+]Cc1cc(-c2cccc3nc[nH]c32)ncn1 ZINC001243931263 985610942 /nfs/dbraw/zinc/61/09/42/985610942.db2.gz ROSXTWDWRBRRSA-UHFFFAOYSA-N 1 2 239.282 1.739 20 0 BDADLO COC(=O)c1cc(OC)cnc1C1=C[NH2+]CCC1 ZINC001243947509 985620342 /nfs/dbraw/zinc/62/03/42/985620342.db2.gz KKMISHCCMJHIKM-UHFFFAOYSA-N 1 2 248.282 1.601 20 0 BDADLO COC(=O)c1cc(C2=C[NH2+]CCC2)ncc1F ZINC001243948305 985628040 /nfs/dbraw/zinc/62/80/40/985628040.db2.gz ZOSFGTJAWSSBQK-UHFFFAOYSA-N 1 2 236.246 1.732 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC001459871629 985646598 /nfs/dbraw/zinc/64/65/98/985646598.db2.gz DUJZEWYRBZDPIT-LPEHRKFASA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC001459871629 985646608 /nfs/dbraw/zinc/64/66/08/985646608.db2.gz DUJZEWYRBZDPIT-LPEHRKFASA-N 1 2 238.335 1.131 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2C=CCC2)c1 ZINC001460735857 985888611 /nfs/dbraw/zinc/88/86/11/985888611.db2.gz OBBGTJHSMXVPOO-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO Cc1cc(=O)[nH]cc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001579638328 986166544 /nfs/dbraw/zinc/16/65/44/986166544.db2.gz XCRYFVIMJFGOKH-LURJTMIESA-N 1 2 245.229 1.017 20 0 BDADLO Cc1cccc2[nH]c(C[NH2+]Cc3nnc[nH]3)cc21 ZINC001461845303 986207536 /nfs/dbraw/zinc/20/75/36/986207536.db2.gz QERLVYHMLWUDPV-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO CCn1ccc(C[NH+]2CCSCC2)n1 ZINC001462034822 986264174 /nfs/dbraw/zinc/26/41/74/986264174.db2.gz APOXAXMAAGCBRX-UHFFFAOYSA-N 1 2 211.334 1.452 20 0 BDADLO Cc1ccc(-c2ccc(O)c(CO)c2)[nH+]c1N ZINC001244775271 986338549 /nfs/dbraw/zinc/33/85/49/986338549.db2.gz PQSUHVLMSLVHNS-UHFFFAOYSA-N 1 2 230.267 1.837 20 0 BDADLO FCC1([NH2+]Cc2ncccc2F)CCOCC1 ZINC001462296478 986339601 /nfs/dbraw/zinc/33/96/01/986339601.db2.gz NBZURLLYAWLVTO-UHFFFAOYSA-N 1 2 242.269 1.829 20 0 BDADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)o1 ZINC001096689352 986478643 /nfs/dbraw/zinc/47/86/43/986478643.db2.gz LEXSNGZDMWXXKW-UTUOFQBUSA-N 1 2 249.314 1.224 20 0 BDADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)o1 ZINC001096689352 986478654 /nfs/dbraw/zinc/47/86/54/986478654.db2.gz LEXSNGZDMWXXKW-UTUOFQBUSA-N 1 2 249.314 1.224 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)no1 ZINC001262011091 986533613 /nfs/dbraw/zinc/53/36/13/986533613.db2.gz YEEHMKYEFHTJKQ-WCABBAIRSA-N 1 2 239.319 1.986 20 0 BDADLO CNc1cc(-c2ccccc2CC(N)=O)cc[nH+]1 ZINC001244975992 986560069 /nfs/dbraw/zinc/56/00/69/986560069.db2.gz MDVCKOPNUOOXOL-UHFFFAOYSA-N 1 2 241.294 1.818 20 0 BDADLO CCC(=O)C1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC001464157703 986615337 /nfs/dbraw/zinc/61/53/37/986615337.db2.gz KUXXOQRPFZLDIA-SNVBAGLBSA-N 1 2 249.314 1.147 20 0 BDADLO Cc1nc(N[C@H](C)CNC(=O)C(C)C)cc[nH+]1 ZINC001097656093 986625627 /nfs/dbraw/zinc/62/56/27/986625627.db2.gz BVPBTPYQZQHYTE-SECBINFHSA-N 1 2 236.319 1.358 20 0 BDADLO Cc1c(CN2CCOC(=O)C2)[nH+]c2ccccn12 ZINC001137274515 986710661 /nfs/dbraw/zinc/71/06/61/986710661.db2.gz XWJBRBFZOIGGBV-UHFFFAOYSA-N 1 2 245.282 1.002 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC001465604190 986727551 /nfs/dbraw/zinc/72/75/51/986727551.db2.gz FHIVFSJAYUMEHR-SCZZXKLOSA-N 1 2 249.314 1.340 20 0 BDADLO c1cc(-c2cc(-n3cc[nH+]c3)ccn2)n[nH]1 ZINC001245313039 986803346 /nfs/dbraw/zinc/80/33/46/986803346.db2.gz GUYUHIRCQJPQSV-UHFFFAOYSA-N 1 2 211.228 1.657 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1[nH]nc2ccccc21 ZINC001137343871 986811719 /nfs/dbraw/zinc/81/17/19/986811719.db2.gz JODBVXSMDLEDJQ-LBPRGKRZSA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC001137343871 986811726 /nfs/dbraw/zinc/81/17/26/986811726.db2.gz JODBVXSMDLEDJQ-LBPRGKRZSA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1n[nH]c2ccccc21 ZINC001137343871 986811729 /nfs/dbraw/zinc/81/17/29/986811729.db2.gz JODBVXSMDLEDJQ-LBPRGKRZSA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC001137343871 986811735 /nfs/dbraw/zinc/81/17/35/986811735.db2.gz JODBVXSMDLEDJQ-LBPRGKRZSA-N 1 2 244.298 1.013 20 0 BDADLO CCOC(=O)[C@H](C)n1cc(/C(C)=C/C=C/[NH3+])cn1 ZINC001245333750 986814158 /nfs/dbraw/zinc/81/41/58/986814158.db2.gz XMWPVOIAAURQQY-DGVNLBILSA-N 1 2 249.314 1.883 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@@H+]1CC[C@@]12CCOC2 ZINC001137352072 986818061 /nfs/dbraw/zinc/81/80/61/986818061.db2.gz POZOWHUNGSFPLK-AWEZNQCLSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@@]12CCOC2 ZINC001137352072 986818068 /nfs/dbraw/zinc/81/80/68/986818068.db2.gz POZOWHUNGSFPLK-AWEZNQCLSA-N 1 2 243.310 1.928 20 0 BDADLO Clc1ncccc1C[N@@H+]1CCn2nccc2C1 ZINC001137428425 986892591 /nfs/dbraw/zinc/89/25/91/986892591.db2.gz DBCJWYRGKSUOQO-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ncccc1C[N@H+]1CCn2nccc2C1 ZINC001137428425 986892595 /nfs/dbraw/zinc/89/25/95/986892595.db2.gz DBCJWYRGKSUOQO-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1cc(-c2cnc(F)nc2F)c[nH+]c1N ZINC001245540694 986903176 /nfs/dbraw/zinc/90/31/76/986903176.db2.gz YUXFCDZBXSUCRO-UHFFFAOYSA-N 1 2 222.198 1.707 20 0 BDADLO Cc1cc(-c2cnc(F)nc2)c[nH+]c1N ZINC001245536395 986912577 /nfs/dbraw/zinc/91/25/77/986912577.db2.gz JTTZFGPEWCCQPH-UHFFFAOYSA-N 1 2 204.208 1.568 20 0 BDADLO Cc1cc(-c2cn3ccnc3cn2)c[nH+]c1N ZINC001245538041 986917721 /nfs/dbraw/zinc/91/77/21/986917721.db2.gz VVTWSPJUTUXOMC-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1nnc2ccc(-c3c[nH+]c(N)c(C)c3)cn12 ZINC001245540711 986923677 /nfs/dbraw/zinc/92/36/77/986923677.db2.gz ZMVIIZAYKDWDRG-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2cnc(=O)n(C(C)C)c2)c[nH+]c1N ZINC001245539012 986923710 /nfs/dbraw/zinc/92/37/10/986923710.db2.gz CSKFQFUPKYPINO-UHFFFAOYSA-N 1 2 244.298 1.777 20 0 BDADLO CCn1nc(-c2c[nH+]c(N)c(C)c2)ccc1=O ZINC001245539021 986926667 /nfs/dbraw/zinc/92/66/67/986926667.db2.gz DGCHHCZQBRLKKN-UHFFFAOYSA-N 1 2 230.271 1.216 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CS1 ZINC001469010004 986957105 /nfs/dbraw/zinc/95/71/05/986957105.db2.gz IFUOFXZDLUQWDE-BDAKNGLRSA-N 1 2 239.344 1.353 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc2nncn2c1 ZINC001245659939 987050690 /nfs/dbraw/zinc/05/06/90/987050690.db2.gz LMPWLVWLFOFLAT-YGQDEOHPSA-N 1 2 200.245 1.605 20 0 BDADLO Cc1cc(O)cc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC001470882261 987068639 /nfs/dbraw/zinc/06/86/39/987068639.db2.gz AULXWYYORXEXEL-UHFFFAOYSA-N 1 2 245.282 1.615 20 0 BDADLO Cn1cc[nH+]c1Cn1[nH]c(C2CC2)cc1=O ZINC001245911852 987146525 /nfs/dbraw/zinc/14/65/25/987146525.db2.gz WDCNOXVKFYVWNM-UHFFFAOYSA-N 1 2 218.260 1.248 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C(F)F)[nH+]1 ZINC001472092114 987178534 /nfs/dbraw/zinc/17/85/34/987178534.db2.gz GBYGZZWMRCQQTC-UHFFFAOYSA-N 1 2 217.219 1.414 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C(F)F)c[nH+]1 ZINC001472092114 987178545 /nfs/dbraw/zinc/17/85/45/987178545.db2.gz GBYGZZWMRCQQTC-UHFFFAOYSA-N 1 2 217.219 1.414 20 0 BDADLO O=C(Nc1c[nH][nH]c1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001472570388 987245099 /nfs/dbraw/zinc/24/50/99/987245099.db2.gz SZQFSDHOROJFRH-UHFFFAOYSA-N 1 2 243.226 1.244 20 0 BDADLO CCOC(=O)CCC[N@H+](CC)CC(=O)OCC ZINC001473123102 987340996 /nfs/dbraw/zinc/34/09/96/987340996.db2.gz XHFZIPYWIBCMOZ-UHFFFAOYSA-N 1 2 245.319 1.215 20 0 BDADLO CCOC(=O)CCC[N@@H+](CC)CC(=O)OCC ZINC001473123102 987341002 /nfs/dbraw/zinc/34/10/02/987341002.db2.gz XHFZIPYWIBCMOZ-UHFFFAOYSA-N 1 2 245.319 1.215 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001473336648 987403711 /nfs/dbraw/zinc/40/37/11/987403711.db2.gz OFWLUOOJSYGMTJ-QPUJVOFHSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001473336648 987403715 /nfs/dbraw/zinc/40/37/15/987403715.db2.gz OFWLUOOJSYGMTJ-QPUJVOFHSA-N 1 2 242.269 1.563 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CC2(O)CCCCC2)no1 ZINC001473362433 987404872 /nfs/dbraw/zinc/40/48/72/987404872.db2.gz MLXKBKZSYGQJEU-SECBINFHSA-N 1 2 239.319 1.724 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1noc(C)n1 ZINC001473367718 987405006 /nfs/dbraw/zinc/40/50/06/987405006.db2.gz AOIVFYAXFMQYJG-MNOVXSKESA-N 1 2 239.319 1.988 20 0 BDADLO CC[C@H](O)CCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116205052 987477582 /nfs/dbraw/zinc/47/75/82/987477582.db2.gz MMFNTPWNJOOZLP-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CCCS1)n1cc[nH+]c1 ZINC001116253748 987494356 /nfs/dbraw/zinc/49/43/56/987494356.db2.gz ZCVPHWPMAOHFFL-UWVGGRQHSA-N 1 2 239.344 1.456 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+]1CCn2nccc2C1 ZINC001473670118 987527552 /nfs/dbraw/zinc/52/75/52/987527552.db2.gz BWUIQCHXXYGXCL-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+]1CCn2nccc2C1 ZINC001473670118 987527566 /nfs/dbraw/zinc/52/75/66/987527566.db2.gz BWUIQCHXXYGXCL-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CO[C@@H](C)C[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473798658 987566870 /nfs/dbraw/zinc/56/68/70/987566870.db2.gz ZYCAQXJFVBVQGR-UWVGGRQHSA-N 1 2 223.320 1.439 20 0 BDADLO CO[C@@H](C)C[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473798658 987566883 /nfs/dbraw/zinc/56/68/83/987566883.db2.gz ZYCAQXJFVBVQGR-UWVGGRQHSA-N 1 2 223.320 1.439 20 0 BDADLO C[C@H](C(=O)N[C@@]1(C)CCO[C@@H]1C)n1cc[nH+]c1 ZINC001116567236 987629352 /nfs/dbraw/zinc/62/93/52/987629352.db2.gz KABAOKQRDCHZCE-FOGDFJRCSA-N 1 2 237.303 1.128 20 0 BDADLO CCC[C@](C)(CO)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116639564 987654854 /nfs/dbraw/zinc/65/48/54/987654854.db2.gz NOCWPGJJYHTLKI-ZYHUDNBSSA-N 1 2 239.319 1.111 20 0 BDADLO Cc1ccc(C[C@@H](C)N[C@@H]2C[NH2+]CCC2=O)cc1 ZINC001246286606 987679261 /nfs/dbraw/zinc/67/92/61/987679261.db2.gz DFNQDYXKQINYQY-TZMCWYRMSA-N 1 2 246.354 1.447 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cnccn2)o1 ZINC001474297717 987680101 /nfs/dbraw/zinc/68/01/01/987680101.db2.gz FMGVXVBAHHPVFG-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC001116735127 987685306 /nfs/dbraw/zinc/68/53/06/987685306.db2.gz MKAXQXGQLCDJQY-UWVGGRQHSA-N 1 2 247.302 1.435 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1ncnn1C ZINC001116738799 987689465 /nfs/dbraw/zinc/68/94/65/987689465.db2.gz NFCYFANOUOVAFA-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@@H](C(=O)N[C@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC001116831012 987722741 /nfs/dbraw/zinc/72/27/41/987722741.db2.gz GUEJXHYTFCCMAU-UKKRHICBSA-N 1 2 219.288 1.359 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC001116831011 987723356 /nfs/dbraw/zinc/72/33/56/987723356.db2.gz GUEJXHYTFCCMAU-MMWGEVLESA-N 1 2 219.288 1.359 20 0 BDADLO O=C(CCC(F)F)NCCc1[nH]cc[nH+]1 ZINC001116866155 987739243 /nfs/dbraw/zinc/73/92/43/987739243.db2.gz UTPNJNGKTVVMNY-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO COc1cccc(CNc2cc(CO)cc[nH+]2)n1 ZINC001474590897 987771908 /nfs/dbraw/zinc/77/19/08/987771908.db2.gz OXGKSVPIFAZBMM-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO C[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC2(F)F)C1 ZINC001246461422 987820277 /nfs/dbraw/zinc/82/02/77/987820277.db2.gz PRKTVJOBLPIJNR-OPRDCNLKSA-N 1 2 218.291 1.762 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNCC2(F)F)C1 ZINC001246461422 987820283 /nfs/dbraw/zinc/82/02/83/987820283.db2.gz PRKTVJOBLPIJNR-OPRDCNLKSA-N 1 2 218.291 1.762 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC001478482645 987876211 /nfs/dbraw/zinc/87/62/11/987876211.db2.gz MSWVMOPLAABNEE-MXWKQRLJSA-N 1 2 248.330 1.248 20 0 BDADLO CC(C)=CC[NH+]1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001480336372 987965660 /nfs/dbraw/zinc/96/56/60/987965660.db2.gz GBYRNPLAKVFFKA-UHFFFAOYSA-N 1 2 248.330 1.134 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NOC(C)(C)C ZINC001321825595 988013442 /nfs/dbraw/zinc/01/34/42/988013442.db2.gz NLRUUNRTHLKPDC-UHFFFAOYSA-N 1 2 225.292 1.199 20 0 BDADLO Cc1noc(C(C)(C)NCc2c[nH+]cn2C)n1 ZINC001321910650 988047530 /nfs/dbraw/zinc/04/75/30/988047530.db2.gz KJHSAVCXYIODTA-UHFFFAOYSA-N 1 2 235.291 1.136 20 0 BDADLO C[C@H](C(=O)NCc1nccs1)n1cc[nH+]c1 ZINC001322024535 988076871 /nfs/dbraw/zinc/07/68/71/988076871.db2.gz DAUZORGBUJVRGE-MRVPVSSYSA-N 1 2 236.300 1.217 20 0 BDADLO CC(C)[C@H](F)C(=O)NC1C[NH+](CC[C@H](C)F)C1 ZINC001494432278 988145682 /nfs/dbraw/zinc/14/56/82/988145682.db2.gz RAMMIWOMUMJNSR-ONGXEEELSA-N 1 2 248.317 1.529 20 0 BDADLO CCC(C)(C)CC(=O)NCC1C[NH+](CCF)C1 ZINC001494556511 988156763 /nfs/dbraw/zinc/15/67/63/988156763.db2.gz YRAJMQJPIBUPKC-UHFFFAOYSA-N 1 2 244.354 1.830 20 0 BDADLO C/C(=C/c1nnc(C[NH+](C)C)o1)C1CC1 ZINC001322340864 988214384 /nfs/dbraw/zinc/21/43/84/988214384.db2.gz WWQBYVKGUOXVGI-VURMDHGXSA-N 1 2 207.277 1.945 20 0 BDADLO C[C@H](C(=O)N1CCC[C@@H]1C)n1cc[nH+]c1 ZINC001322398085 988240899 /nfs/dbraw/zinc/24/08/99/988240899.db2.gz UTQOTZHBUJICOE-VHSXEESVSA-N 1 2 207.277 1.455 20 0 BDADLO CS[C@H](C)CCc1nnc(C[NH+](C)C)o1 ZINC001118360985 988251813 /nfs/dbraw/zinc/25/18/13/988251813.db2.gz RCDOYAXXYOSULM-MRVPVSSYSA-N 1 2 229.349 1.815 20 0 BDADLO C[NH+](C)Cc1nnc(CC[C@@H]2CCCCO2)o1 ZINC001322983679 988424336 /nfs/dbraw/zinc/42/43/36/988424336.db2.gz NNXACTVRRXXKOY-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1cnccn1 ZINC001323168388 988461658 /nfs/dbraw/zinc/46/16/58/988461658.db2.gz MBHDJGAPUVIYIO-GHMZBOCLSA-N 1 2 248.330 1.138 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1cnccn1 ZINC001323168388 988461667 /nfs/dbraw/zinc/46/16/67/988461667.db2.gz MBHDJGAPUVIYIO-GHMZBOCLSA-N 1 2 248.330 1.138 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1cnccn1 ZINC001323168390 988464359 /nfs/dbraw/zinc/46/43/59/988464359.db2.gz MBHDJGAPUVIYIO-MNOVXSKESA-N 1 2 248.330 1.138 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1cnccn1 ZINC001323168390 988464364 /nfs/dbraw/zinc/46/43/64/988464364.db2.gz MBHDJGAPUVIYIO-MNOVXSKESA-N 1 2 248.330 1.138 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](C2CC2)C1)n1cc[nH+]c1 ZINC001323191291 988471387 /nfs/dbraw/zinc/47/13/87/988471387.db2.gz MJNCZGYYOXVNKQ-ZYHUDNBSSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@H](C(=O)NCCC1(F)CCC1)n1cc[nH+]c1 ZINC001323337397 988502626 /nfs/dbraw/zinc/50/26/26/988502626.db2.gz TWTSCQXTODOEKT-SNVBAGLBSA-N 1 2 239.294 1.843 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2(C)COC2)o1 ZINC001118843090 988641630 /nfs/dbraw/zinc/64/16/30/988641630.db2.gz WICYRXQNQYJSIF-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2(C)COC2)o1 ZINC001118843090 988641634 /nfs/dbraw/zinc/64/16/34/988641634.db2.gz WICYRXQNQYJSIF-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC001323930597 988654730 /nfs/dbraw/zinc/65/47/30/988654730.db2.gz NIQSRJGESGMFIP-VXGBXAGGSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(F)F ZINC001548717882 988657889 /nfs/dbraw/zinc/65/78/89/988657889.db2.gz QFCOWBNMSBUQDA-JGVFFNPUSA-N 1 2 243.257 1.215 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC/C=C/C1CC1 ZINC001118943973 988721883 /nfs/dbraw/zinc/72/18/83/988721883.db2.gz DQHQQMODWKSHEF-NSCUHMNNSA-N 1 2 234.303 1.186 20 0 BDADLO COC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001118984437 988769855 /nfs/dbraw/zinc/76/98/55/988769855.db2.gz GIPQADCTJUBQDM-JTQLQIEISA-N 1 2 237.303 1.441 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001324290725 988785120 /nfs/dbraw/zinc/78/51/20/988785120.db2.gz GMAUULLEJTZOCG-CHWSQXEVSA-N 1 2 247.342 1.922 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1cc(C)[nH]n1 ZINC001324377585 988823161 /nfs/dbraw/zinc/82/31/61/988823161.db2.gz WQLUFPRDVDSUTG-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001324377585 988823170 /nfs/dbraw/zinc/82/31/70/988823170.db2.gz WQLUFPRDVDSUTG-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO Cc1cc2[nH]c(CCCO)[nH+]c2cc1F ZINC001247012075 988840488 /nfs/dbraw/zinc/84/04/88/988840488.db2.gz MXIIAPFAIQLSJQ-UHFFFAOYSA-N 1 2 208.236 1.935 20 0 BDADLO C[C@@H](C(=O)NC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001324604513 988889945 /nfs/dbraw/zinc/88/99/45/988889945.db2.gz MWUZFJHVTMYSDD-ZETCQYMHSA-N 1 2 229.230 1.358 20 0 BDADLO CCn1cccc1C(=O)OCCn1cc[nH+]c1 ZINC001514960387 988974306 /nfs/dbraw/zinc/97/43/06/988974306.db2.gz FWZHRNIIFJIZKV-UHFFFAOYSA-N 1 2 233.271 1.562 20 0 BDADLO Cc1ncoc1C(=O)OCCCc1c[nH+]cn1C ZINC001515351199 989029068 /nfs/dbraw/zinc/02/90/68/989029068.db2.gz KJWSCJJDBPRFOM-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC001247960856 989052471 /nfs/dbraw/zinc/05/24/71/989052471.db2.gz FOOJONQUBIIPPN-APPZFPTMSA-N 1 2 234.259 1.166 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](O)[C@@H](C)C2)[nH+]1 ZINC001515657872 989095884 /nfs/dbraw/zinc/09/58/84/989095884.db2.gz BIWKDIDMIKJOJY-GZMMTYOYSA-N 1 2 224.279 1.736 20 0 BDADLO C[C@@H](C(=O)N1CCOCC2(CC2)C1)n1cc[nH+]c1 ZINC001325172884 989112730 /nfs/dbraw/zinc/11/27/30/989112730.db2.gz OLHWAUMGQNKJTB-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1C ZINC001119507605 989115704 /nfs/dbraw/zinc/11/57/04/989115704.db2.gz NHIBNXULNZLCRL-CYBMUJFWSA-N 1 2 235.331 1.637 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOC[C@@H]2C2CC2)c1C ZINC001119507605 989115708 /nfs/dbraw/zinc/11/57/08/989115708.db2.gz NHIBNXULNZLCRL-CYBMUJFWSA-N 1 2 235.331 1.637 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)[nH]n1 ZINC001119512594 989117590 /nfs/dbraw/zinc/11/75/90/989117590.db2.gz SLBKPYDWHNZLMJ-IUCAKERBSA-N 1 2 237.303 1.427 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2C[C@H](C)[C@@H]2C)[nH]n1 ZINC001119512594 989117593 /nfs/dbraw/zinc/11/75/93/989117593.db2.gz SLBKPYDWHNZLMJ-IUCAKERBSA-N 1 2 237.303 1.427 20 0 BDADLO COC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001119525204 989126097 /nfs/dbraw/zinc/12/60/97/989126097.db2.gz PYAMSGUGLKPZOQ-LMLFDSFASA-N 1 2 249.314 1.054 20 0 BDADLO COC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001119525204 989126103 /nfs/dbraw/zinc/12/61/03/989126103.db2.gz PYAMSGUGLKPZOQ-LMLFDSFASA-N 1 2 249.314 1.054 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)C(O)[C@@H](C)C2)[nH+]1 ZINC001515889940 989127014 /nfs/dbraw/zinc/12/70/14/989127014.db2.gz AIYFSXMFVLGUFP-IUCAKERBSA-N 1 2 238.306 1.982 20 0 BDADLO CC(C)(COC(=O)[C@@H]1C[C@H]1F)n1cc[nH+]c1 ZINC001515914212 989130762 /nfs/dbraw/zinc/13/07/62/989130762.db2.gz LIPPBVRPXCXOIG-RKDXNWHRSA-N 1 2 226.251 1.519 20 0 BDADLO O=C(NC/C=C/C1CC1)NCCn1cc[nH+]c1 ZINC001325345315 989165815 /nfs/dbraw/zinc/16/58/15/989165815.db2.gz XFLGPONVMQHJSH-OWOJBTEDSA-N 1 2 234.303 1.149 20 0 BDADLO C[N@H+](Cc1ccc2n1CCC2)Cc1ccncn1 ZINC001248825822 989191179 /nfs/dbraw/zinc/19/11/79/989191179.db2.gz SPWAPDVMJRCDKB-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1ccc2n1CCC2)Cc1ccncn1 ZINC001248825822 989191192 /nfs/dbraw/zinc/19/11/92/989191192.db2.gz SPWAPDVMJRCDKB-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001248856893 989199326 /nfs/dbraw/zinc/19/93/26/989199326.db2.gz ATYJMJXDDXTHSF-ZYHUDNBSSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001248856893 989199337 /nfs/dbraw/zinc/19/93/37/989199337.db2.gz ATYJMJXDDXTHSF-ZYHUDNBSSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC001248966542 989235548 /nfs/dbraw/zinc/23/55/48/989235548.db2.gz UNMQLMNGLPPJLB-NSHDSACASA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC001248966542 989235559 /nfs/dbraw/zinc/23/55/59/989235559.db2.gz UNMQLMNGLPPJLB-NSHDSACASA-N 1 2 221.304 1.314 20 0 BDADLO COc1ccc2[nH]c(C[NH+]3CCC3)nc2c1 ZINC001249411368 989273977 /nfs/dbraw/zinc/27/39/77/989273977.db2.gz VZWVURXPZPQHBQ-UHFFFAOYSA-N 1 2 217.272 1.777 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC001119838843 989431249 /nfs/dbraw/zinc/43/12/49/989431249.db2.gz VFEGIVQHYPREFE-QHQPLOKBSA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C/C[N@H+]1CC[S@@](=O)CC1(C)C ZINC001119838843 989431264 /nfs/dbraw/zinc/43/12/64/989431264.db2.gz VFEGIVQHYPREFE-QHQPLOKBSA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C/C[NH2+][C@@H](C)c1ncn(C)n1 ZINC001119841107 989431526 /nfs/dbraw/zinc/43/15/26/989431526.db2.gz RWRQIAHJVTWFGL-CYNRKNSPSA-N 1 2 224.308 1.058 20 0 BDADLO Cc1cnnc(N(C)CCCn2cc[nH+]c2)c1 ZINC001119947410 989499923 /nfs/dbraw/zinc/49/99/23/989499923.db2.gz REMQOSXJKZZOTL-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO C[C@H](CC(=O)NC1(C)CC1)n1cc[nH+]c1 ZINC001326441367 989557790 /nfs/dbraw/zinc/55/77/90/989557790.db2.gz BPHPOSOXQLOMKC-SECBINFHSA-N 1 2 207.277 1.503 20 0 BDADLO c1csc(N2CCn3c[nH+]cc3C2)n1 ZINC001120006967 989559684 /nfs/dbraw/zinc/55/96/84/989559684.db2.gz CVIKSUWBNBPXFY-UHFFFAOYSA-N 1 2 206.274 1.360 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)C[C@@H]1C ZINC001326450689 989563207 /nfs/dbraw/zinc/56/32/07/989563207.db2.gz AZZQHPFMPSKTOY-CABZTGNLSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)C[C@@H]1C ZINC001326450689 989563217 /nfs/dbraw/zinc/56/32/17/989563217.db2.gz AZZQHPFMPSKTOY-CABZTGNLSA-N 1 2 223.320 1.575 20 0 BDADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CC1 ZINC001326631892 989635956 /nfs/dbraw/zinc/63/59/56/989635956.db2.gz GIQZECXSBFQGIT-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CC1 ZINC001326631892 989635962 /nfs/dbraw/zinc/63/59/62/989635962.db2.gz GIQZECXSBFQGIT-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@H]2F)C1 ZINC001521214093 989654397 /nfs/dbraw/zinc/65/43/97/989654397.db2.gz DZKXEVWRDMNEMR-KXUCPTDWSA-N 1 2 237.278 1.094 20 0 BDADLO CNc1cc(CNC(=O)N(C)C2CC2)cc[nH+]1 ZINC001521343154 989688111 /nfs/dbraw/zinc/68/81/11/989688111.db2.gz YCFSEVUAGMJHFW-UHFFFAOYSA-N 1 2 234.303 1.427 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC001326795883 989717798 /nfs/dbraw/zinc/71/77/98/989717798.db2.gz NDBDVJFWJUZYNM-ZJUUUORDSA-N 1 2 246.318 1.325 20 0 BDADLO Cc1ncc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC001326811498 989724807 /nfs/dbraw/zinc/72/48/07/989724807.db2.gz FGDCEAANDNKGFL-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1ncc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC001326811498 989724832 /nfs/dbraw/zinc/72/48/32/989724832.db2.gz FGDCEAANDNKGFL-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001120597229 989774113 /nfs/dbraw/zinc/77/41/13/989774113.db2.gz HTNCJLWSYIHFAS-LLVKDONJSA-N 1 2 239.294 1.795 20 0 BDADLO CC[C@H](F)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001120601810 989775348 /nfs/dbraw/zinc/77/53/48/989775348.db2.gz XCOXKGHMPMCJPQ-MNOVXSKESA-N 1 2 239.294 1.795 20 0 BDADLO C[C@H](c1nnc(C[NH+](C)C)o1)C(C)(F)F ZINC001326988725 989800776 /nfs/dbraw/zinc/80/07/76/989800776.db2.gz ZQROCRNLCVHIHQ-ZCFIWIBFSA-N 1 2 219.235 1.890 20 0 BDADLO C[C@@H](c1nnc(C[NH+](C)C)o1)C(C)(F)F ZINC001326988722 989800867 /nfs/dbraw/zinc/80/08/67/989800867.db2.gz ZQROCRNLCVHIHQ-LURJTMIESA-N 1 2 219.235 1.890 20 0 BDADLO O=C(NCCC(F)F)[C@H]1CCc2[nH+]ccn2C1 ZINC001522701586 989871047 /nfs/dbraw/zinc/87/10/47/989871047.db2.gz VULSGXSAPNHEJF-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1(C)CC1 ZINC001120805949 989891169 /nfs/dbraw/zinc/89/11/69/989891169.db2.gz OWZXYIYWHRYNAB-WDEREUQCSA-N 1 2 247.342 1.750 20 0 BDADLO OCc1cc[nH+]c(NCCC(F)F)c1 ZINC001120922108 989969265 /nfs/dbraw/zinc/96/92/65/989969265.db2.gz HYTROYJEVMSOMO-UHFFFAOYSA-N 1 2 202.204 1.641 20 0 BDADLO CCc1ccc(N(C)[C@H](C)CCO)[nH+]c1 ZINC001120862300 989932626 /nfs/dbraw/zinc/93/26/26/989932626.db2.gz OEBLKQQCIMWZBR-SNVBAGLBSA-N 1 2 208.305 1.851 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCOC2)c1 ZINC001120866985 989935717 /nfs/dbraw/zinc/93/57/17/989935717.db2.gz SPIPHEQMCKTWPK-JTQLQIEISA-N 1 2 208.261 1.022 20 0 BDADLO Cc1cc(F)cc(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC001120926683 989968734 /nfs/dbraw/zinc/96/87/34/989968734.db2.gz VDJCJXXFANBGDF-VIFPVBQESA-N 1 2 237.278 1.196 20 0 BDADLO CCc1ccc(N2C[C@H](O)CC(F)(F)C2)[nH+]c1 ZINC001120926025 989970147 /nfs/dbraw/zinc/97/01/47/989970147.db2.gz OKMXRCGNKOIORB-SNVBAGLBSA-N 1 2 242.269 1.850 20 0 BDADLO Nc1cc(N2CC[C@H](C3CCC3)C2)[nH+]cn1 ZINC001120942265 989979042 /nfs/dbraw/zinc/97/90/42/989979042.db2.gz UYFQBKJHMPINOW-JTQLQIEISA-N 1 2 218.304 1.685 20 0 BDADLO CC[C@H](OC)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001526101333 990114327 /nfs/dbraw/zinc/11/43/27/990114327.db2.gz UHSXVYOLHSDDBU-JTQLQIEISA-N 1 2 240.303 1.586 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001528017261 990257529 /nfs/dbraw/zinc/25/75/29/990257529.db2.gz LEHLZHSEQQQIGB-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001528928468 990321241 /nfs/dbraw/zinc/32/12/41/990321241.db2.gz FFNOFNZCLANUKO-NSHDSACASA-N 1 2 237.347 1.761 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccco1 ZINC001534711737 990455247 /nfs/dbraw/zinc/45/52/47/990455247.db2.gz CVKKBLQAPWTNKT-UHFFFAOYSA-N 1 2 216.240 1.966 20 0 BDADLO CCc1ncoc1C(=O)OCCc1c[nH+]cn1C ZINC001122954740 990467877 /nfs/dbraw/zinc/46/78/77/990467877.db2.gz AXAOUYCTTRXOLJ-UHFFFAOYSA-N 1 2 249.270 1.370 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)c1ccco1 ZINC001122969947 990475709 /nfs/dbraw/zinc/47/57/09/990475709.db2.gz XXRBWPRRNRKDNO-UHFFFAOYSA-N 1 2 234.255 1.803 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CC(C)C ZINC001123378400 990567756 /nfs/dbraw/zinc/56/77/56/990567756.db2.gz MCYLARQTMMPUOD-UHFFFAOYSA-N 1 2 210.277 1.992 20 0 BDADLO CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001540428807 990619134 /nfs/dbraw/zinc/61/91/34/990619134.db2.gz QIQATRIHXIQIHG-UHFFFAOYSA-N 1 2 229.283 1.551 20 0 BDADLO O=C([C@@H]1C[C@@H]1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001123657441 990639114 /nfs/dbraw/zinc/63/91/14/990639114.db2.gz LKYRNCJCRLTVNY-ZJUUUORDSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@@H]1C[C@@H]1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001123657441 990639119 /nfs/dbraw/zinc/63/91/19/990639119.db2.gz LKYRNCJCRLTVNY-ZJUUUORDSA-N 1 2 237.278 1.474 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC=CO1 ZINC001540799770 990647636 /nfs/dbraw/zinc/64/76/36/990647636.db2.gz UDJWIVSLNYYPQG-QWRGUYRKSA-N 1 2 235.287 1.081 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC=CO1 ZINC001540799768 990648280 /nfs/dbraw/zinc/64/82/80/990648280.db2.gz UDJWIVSLNYYPQG-GHMZBOCLSA-N 1 2 235.287 1.081 20 0 BDADLO CCN(CC(F)(F)F)C(=O)Cc1[nH]c[nH+]c1C ZINC001542440279 990664663 /nfs/dbraw/zinc/66/46/63/990664663.db2.gz UZSKAPLKMWZCRB-UHFFFAOYSA-N 1 2 249.236 1.671 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001542494832 990664721 /nfs/dbraw/zinc/66/47/21/990664721.db2.gz BPLITURCOSHVIH-GFCCVEGCSA-N 1 2 246.310 1.654 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001542494832 990664725 /nfs/dbraw/zinc/66/47/25/990664725.db2.gz BPLITURCOSHVIH-GFCCVEGCSA-N 1 2 246.310 1.654 20 0 BDADLO COc1ccncc1NC(=O)Cc1c[nH+]cn1C ZINC001544376443 990721435 /nfs/dbraw/zinc/72/14/35/990721435.db2.gz NQKUYPUXGSKGNM-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)CC[C@H]1C ZINC001544558234 990727512 /nfs/dbraw/zinc/72/75/12/990727512.db2.gz YDDRNBAFXLNULO-VHSXEESVSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C2CC2)CC1 ZINC001545385878 990750153 /nfs/dbraw/zinc/75/01/53/990750153.db2.gz CAKZPJGAORLPEH-UHFFFAOYSA-N 1 2 219.288 1.319 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cccc(O)c2)[nH+]c1C ZINC001545359963 990751147 /nfs/dbraw/zinc/75/11/47/990751147.db2.gz AINHORJYACZCEA-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C)nc1C ZINC001545393051 990751420 /nfs/dbraw/zinc/75/14/20/990751420.db2.gz MLGBMSHNTIOCHJ-GFCCVEGCSA-N 1 2 233.315 1.731 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C)nc1C ZINC001545393051 990751423 /nfs/dbraw/zinc/75/14/23/990751423.db2.gz MLGBMSHNTIOCHJ-GFCCVEGCSA-N 1 2 233.315 1.731 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](O)C[C@@H]2C)[nH+]1 ZINC001548514404 990764113 /nfs/dbraw/zinc/76/41/13/990764113.db2.gz CJRVOVFYOXAHND-WPRPVWTQSA-N 1 2 210.252 1.489 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](F)C1 ZINC001556683840 990844924 /nfs/dbraw/zinc/84/49/24/990844924.db2.gz RFKVUXQCXPUKIC-ZJUUUORDSA-N 1 2 237.278 1.016 20 0 BDADLO CC1=C(C(=O)NCCc2cn(C)c[nH+]2)CCCO1 ZINC001556945495 990865200 /nfs/dbraw/zinc/86/52/00/990865200.db2.gz HRJNVUVBAFMJFV-UHFFFAOYSA-N 1 2 249.314 1.163 20 0 BDADLO CC(=O)Oc1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC001138037429 990878162 /nfs/dbraw/zinc/87/81/62/990878162.db2.gz WODYESCILBFHGN-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO CC(=O)Oc1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC001138037429 990878165 /nfs/dbraw/zinc/87/81/65/990878165.db2.gz WODYESCILBFHGN-LLVKDONJSA-N 1 2 249.310 1.833 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(F)cc1 ZINC001557692537 990903477 /nfs/dbraw/zinc/90/34/77/990903477.db2.gz COMIUGHEKUZKFS-LLVKDONJSA-N 1 2 245.257 1.897 20 0 BDADLO C=C/C=C\CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001557697718 990905641 /nfs/dbraw/zinc/90/56/41/990905641.db2.gz QPRYOKQDTMJKSD-WAYWQWQTSA-N 1 2 233.315 1.867 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cc(O)cc(O)c2)cn1 ZINC001138323131 990914246 /nfs/dbraw/zinc/91/42/46/990914246.db2.gz INHJOUNAHLPUTC-UHFFFAOYSA-N 1 2 247.298 1.463 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cc(O)cc(O)c2)cn1 ZINC001138323131 990914257 /nfs/dbraw/zinc/91/42/57/990914257.db2.gz INHJOUNAHLPUTC-UHFFFAOYSA-N 1 2 247.298 1.463 20 0 BDADLO Oc1cc(O)cc(C[NH+]2CC(C(F)F)C2)c1 ZINC001138333507 990920311 /nfs/dbraw/zinc/92/03/11/990920311.db2.gz GIDPRAKULXYLTH-UHFFFAOYSA-N 1 2 229.226 1.795 20 0 BDADLO COC1(C)C[NH+](Cc2ncccc2O)C1 ZINC001138391595 990929180 /nfs/dbraw/zinc/92/91/80/990929180.db2.gz PWNAXJKGJQRJQN-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1ncccc1O)C2 ZINC001138396407 990933621 /nfs/dbraw/zinc/93/36/21/990933621.db2.gz UBCHCRGOLTWYON-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1ncccc1O)C2 ZINC001138396407 990933628 /nfs/dbraw/zinc/93/36/28/990933628.db2.gz UBCHCRGOLTWYON-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1ncccc1O ZINC001138396412 990937087 /nfs/dbraw/zinc/93/70/87/990937087.db2.gz UCAICBGMLKBNRH-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1ncccc1O ZINC001138396412 990937095 /nfs/dbraw/zinc/93/70/95/990937095.db2.gz UCAICBGMLKBNRH-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO Cn1ncc2c1C[N@H+](Cc1ncccc1O)CC2 ZINC001138395529 990938263 /nfs/dbraw/zinc/93/82/63/990938263.db2.gz GSXNGJZZGCFMJK-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1ncc2c1C[N@@H+](Cc1ncccc1O)CC2 ZINC001138395529 990938267 /nfs/dbraw/zinc/93/82/67/990938267.db2.gz GSXNGJZZGCFMJK-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC000162085799 990946527 /nfs/dbraw/zinc/94/65/27/990946527.db2.gz NCILMFJPHHPJIT-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCC23COC3)s1 ZINC001138494129 990964789 /nfs/dbraw/zinc/96/47/89/990964789.db2.gz KCQXIRUVZUPICS-UHFFFAOYSA-N 1 2 238.356 1.789 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCC23COC3)s1 ZINC001138494129 990964803 /nfs/dbraw/zinc/96/48/03/990964803.db2.gz KCQXIRUVZUPICS-UHFFFAOYSA-N 1 2 238.356 1.789 20 0 BDADLO C[N@H+](Cc1c[nH]nc1C(C)(C)C)C1(C)COC1 ZINC001138580090 990976226 /nfs/dbraw/zinc/97/62/26/990976226.db2.gz JEPRDHWSJJDICY-UHFFFAOYSA-N 1 2 237.347 1.928 20 0 BDADLO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C1(C)COC1 ZINC001138580090 990976228 /nfs/dbraw/zinc/97/62/28/990976228.db2.gz JEPRDHWSJJDICY-UHFFFAOYSA-N 1 2 237.347 1.928 20 0 BDADLO CC[N@H+](Cc1c[nH]nc1C(C)(C)C)C1COC1 ZINC001138580245 990976921 /nfs/dbraw/zinc/97/69/21/990976921.db2.gz QIKSYWRRCBJOND-UHFFFAOYSA-N 1 2 237.347 1.928 20 0 BDADLO CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)C1COC1 ZINC001138580245 990976931 /nfs/dbraw/zinc/97/69/31/990976931.db2.gz QIKSYWRRCBJOND-UHFFFAOYSA-N 1 2 237.347 1.928 20 0 BDADLO OC1C[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC001138604860 990981945 /nfs/dbraw/zinc/98/19/45/990981945.db2.gz GTKGEUYFGBMJCE-UHFFFAOYSA-N 1 2 246.354 1.853 20 0 BDADLO CCCn1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC001138636212 990987174 /nfs/dbraw/zinc/98/71/74/990987174.db2.gz DFFJVJJNMIUGGL-OKILXGFUSA-N 1 2 249.358 1.965 20 0 BDADLO CCCn1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC001138636212 990987182 /nfs/dbraw/zinc/98/71/82/990987182.db2.gz DFFJVJJNMIUGGL-OKILXGFUSA-N 1 2 249.358 1.965 20 0 BDADLO CCCn1ncc(C[N@H+](C)C2(C)COC2)c1C ZINC001138640017 990992429 /nfs/dbraw/zinc/99/24/29/990992429.db2.gz FBAZVHBEHOMTDN-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1ncc(C[N@@H+](C)C2(C)COC2)c1C ZINC001138640017 990992440 /nfs/dbraw/zinc/99/24/40/990992440.db2.gz FBAZVHBEHOMTDN-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO CNc1ncccc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001138690183 991006221 /nfs/dbraw/zinc/00/62/21/991006221.db2.gz SUVVIJMDXYLSKF-QWRGUYRKSA-N 1 2 239.294 1.028 20 0 BDADLO CNc1ncccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001138690183 991006228 /nfs/dbraw/zinc/00/62/28/991006228.db2.gz SUVVIJMDXYLSKF-QWRGUYRKSA-N 1 2 239.294 1.028 20 0 BDADLO CSc1ncc(C[NH+]2CC(C)C2)cn1 ZINC001138701139 991011993 /nfs/dbraw/zinc/01/19/93/991011993.db2.gz JUKSFIAQSYGATI-UHFFFAOYSA-N 1 2 209.318 1.650 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnc(SC)nc1 ZINC001138709058 991014945 /nfs/dbraw/zinc/01/49/45/991014945.db2.gz OMICRZNWWWLFIT-SNVBAGLBSA-N 1 2 239.344 1.419 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnc(SC)nc1 ZINC001138709058 991014952 /nfs/dbraw/zinc/01/49/52/991014952.db2.gz OMICRZNWWWLFIT-SNVBAGLBSA-N 1 2 239.344 1.419 20 0 BDADLO c1cc2cc(C[N@H+](C3CC3)C3COC3)cnc2[nH]1 ZINC001138740519 991025939 /nfs/dbraw/zinc/02/59/39/991025939.db2.gz AATOBTHHMOUUHX-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1cc2cc(C[N@@H+](C3CC3)C3COC3)cnc2[nH]1 ZINC001138740519 991025947 /nfs/dbraw/zinc/02/59/47/991025947.db2.gz AATOBTHHMOUUHX-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO O=C1CC[C@H](C[N@H+]2Cc3ccc(F)cc3C2)N1 ZINC001202864886 991038554 /nfs/dbraw/zinc/03/85/54/991038554.db2.gz SAGWKMVGRJMTEQ-GFCCVEGCSA-N 1 2 234.274 1.420 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2Cc3ccc(F)cc3C2)N1 ZINC001202864886 991038560 /nfs/dbraw/zinc/03/85/60/991038560.db2.gz SAGWKMVGRJMTEQ-GFCCVEGCSA-N 1 2 234.274 1.420 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnn(C)c2)nn1 ZINC001308656563 991081006 /nfs/dbraw/zinc/08/10/06/991081006.db2.gz KONWXKIYKOENAA-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnn(C)c2)nn1 ZINC001308656563 991081014 /nfs/dbraw/zinc/08/10/14/991081014.db2.gz KONWXKIYKOENAA-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCCn1c[nH+]cc1CN1CC[C@](F)(CO)C1 ZINC001308711592 991103332 /nfs/dbraw/zinc/10/33/32/991103332.db2.gz FENQJBREJAFTPJ-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCCn1c[nH+]cc1CN1CCOCC1(C)C ZINC001308734279 991112533 /nfs/dbraw/zinc/11/25/33/991112533.db2.gz YHNPBFCRAITYJI-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO COc1nsc(C[NH2+]CCF)c1Cl ZINC001308728700 991114132 /nfs/dbraw/zinc/11/41/32/991114132.db2.gz SITRAQNTVPSMGL-UHFFFAOYSA-N 1 2 224.688 1.864 20 0 BDADLO CSCC[C@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001258221776 991152231 /nfs/dbraw/zinc/15/22/31/991152231.db2.gz GJBJNBKCGPOACM-VIFPVBQESA-N 1 2 225.361 1.877 20 0 BDADLO CSCC[C@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001258221776 991152238 /nfs/dbraw/zinc/15/22/38/991152238.db2.gz GJBJNBKCGPOACM-VIFPVBQESA-N 1 2 225.361 1.877 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001308914056 991216012 /nfs/dbraw/zinc/21/60/12/991216012.db2.gz JQUNJHYJLIHFPX-GJMOJQLCSA-N 1 2 241.303 1.053 20 0 BDADLO CC(C)[NH2+][C@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001308954970 991232832 /nfs/dbraw/zinc/23/28/32/991232832.db2.gz PHSIBVNICWOSGA-RXMQYKEDSA-N 1 2 222.214 1.883 20 0 BDADLO CC[C@@H](CO)[NH2+][C@@H](CC)c1noc(C)n1 ZINC001559736123 991234919 /nfs/dbraw/zinc/23/49/19/991234919.db2.gz CNTFTOHJFBKZAE-IUCAKERBSA-N 1 2 213.281 1.190 20 0 BDADLO CC1CC([N@H+](C)Cc2c(N)ncnc2Cl)C1 ZINC001139436630 991241958 /nfs/dbraw/zinc/24/19/58/991241958.db2.gz DEJPGIJLRLUFPK-UHFFFAOYSA-N 1 2 240.738 1.943 20 0 BDADLO CC1CC([N@@H+](C)Cc2c(N)ncnc2Cl)C1 ZINC001139436630 991241963 /nfs/dbraw/zinc/24/19/63/991241963.db2.gz DEJPGIJLRLUFPK-UHFFFAOYSA-N 1 2 240.738 1.943 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c[nH]1 ZINC001139463939 991245723 /nfs/dbraw/zinc/24/57/23/991245723.db2.gz SLJIHZSHWAXWPO-SNVBAGLBSA-N 1 2 238.262 1.290 20 0 BDADLO O=c1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c[nH]1 ZINC001139463939 991245733 /nfs/dbraw/zinc/24/57/33/991245733.db2.gz SLJIHZSHWAXWPO-SNVBAGLBSA-N 1 2 238.262 1.290 20 0 BDADLO OCC1C[NH+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC001139554512 991264150 /nfs/dbraw/zinc/26/41/50/991264150.db2.gz DTOKONZYVKFSTC-UHFFFAOYSA-N 1 2 243.310 1.501 20 0 BDADLO CC[N@H+](Cc1cccc(Cl)n1)C1COC1 ZINC001139549715 991267209 /nfs/dbraw/zinc/26/72/09/991267209.db2.gz ABERWEMPWXLMQY-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CC[N@@H+](Cc1cccc(Cl)n1)C1COC1 ZINC001139549715 991267219 /nfs/dbraw/zinc/26/72/19/991267219.db2.gz ABERWEMPWXLMQY-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139570246 991271593 /nfs/dbraw/zinc/27/15/93/991271593.db2.gz UYKNGOKLTFWPPJ-LLVKDONJSA-N 1 2 249.289 1.694 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139570246 991271609 /nfs/dbraw/zinc/27/16/09/991271609.db2.gz UYKNGOKLTFWPPJ-LLVKDONJSA-N 1 2 249.289 1.694 20 0 BDADLO CC(C)[N@H+](C)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139634286 991308254 /nfs/dbraw/zinc/30/82/54/991308254.db2.gz SRABREJFFPKTBW-UHFFFAOYSA-N 1 2 242.344 1.325 20 0 BDADLO CC(C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139634286 991308261 /nfs/dbraw/zinc/30/82/61/991308261.db2.gz SRABREJFFPKTBW-UHFFFAOYSA-N 1 2 242.344 1.325 20 0 BDADLO c1c(C[N@@H+]2CC[C@]23CCOC3)nc2cnccn12 ZINC001139700781 991332447 /nfs/dbraw/zinc/33/24/47/991332447.db2.gz WAIIVJPQOQNWBX-CYBMUJFWSA-N 1 2 244.298 1.094 20 0 BDADLO c1c(C[N@H+]2CC[C@]23CCOC3)nc2cnccn12 ZINC001139700781 991332456 /nfs/dbraw/zinc/33/24/56/991332456.db2.gz WAIIVJPQOQNWBX-CYBMUJFWSA-N 1 2 244.298 1.094 20 0 BDADLO CCCCC[C@@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001258427250 991355021 /nfs/dbraw/zinc/35/50/21/991355021.db2.gz AMWQECSTSQARGX-GHMZBOCLSA-N 1 2 231.336 1.469 20 0 BDADLO Cc1[nH]c(CN2CCC[C@H]2c2nc[nH]n2)[nH+]c1C ZINC001560025333 991362753 /nfs/dbraw/zinc/36/27/53/991362753.db2.gz IWILJSYUJGZJGD-JTQLQIEISA-N 1 2 246.318 1.482 20 0 BDADLO C[C@@H](O)[C@H](C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078831 991370167 /nfs/dbraw/zinc/37/01/67/991370167.db2.gz FTSZXQZUVQUQHL-NWDGAFQWSA-N 1 2 248.326 1.105 20 0 BDADLO C[C@@H](O)[C@H](C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078831 991370171 /nfs/dbraw/zinc/37/01/71/991370171.db2.gz FTSZXQZUVQUQHL-NWDGAFQWSA-N 1 2 248.326 1.105 20 0 BDADLO C=C/C=C\CCNC(=O)NCc1ccc[nH+]c1N ZINC001313227957 991382821 /nfs/dbraw/zinc/38/28/21/991382821.db2.gz KMLPEVAIAADEKV-ARJAWSKDSA-N 1 2 246.314 1.595 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1ccn(C)n1 ZINC001560218695 991420614 /nfs/dbraw/zinc/42/06/14/991420614.db2.gz MELFULRXSVDGFI-UHFFFAOYSA-N 1 2 248.330 1.699 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1ccn(C)n1 ZINC001560218695 991420605 /nfs/dbraw/zinc/42/06/05/991420605.db2.gz MELFULRXSVDGFI-UHFFFAOYSA-N 1 2 248.330 1.699 20 0 BDADLO Cn1ccc(C[N@H+](C)CCOCC2CCC2)n1 ZINC001560218750 991421195 /nfs/dbraw/zinc/42/11/95/991421195.db2.gz NJPTWLSTQQNKMQ-UHFFFAOYSA-N 1 2 237.347 1.669 20 0 BDADLO Cn1ccc(C[N@@H+](C)CCOCC2CCC2)n1 ZINC001560218750 991421203 /nfs/dbraw/zinc/42/12/03/991421203.db2.gz NJPTWLSTQQNKMQ-UHFFFAOYSA-N 1 2 237.347 1.669 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c(cnn2C)c1 ZINC001139951811 991431281 /nfs/dbraw/zinc/43/12/81/991431281.db2.gz ADXOIRFKMAKDKK-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c(cnn2C)c1 ZINC001139951811 991431288 /nfs/dbraw/zinc/43/12/88/991431288.db2.gz ADXOIRFKMAKDKK-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH2+]Cc1noc(C)n1 ZINC001258471769 991439997 /nfs/dbraw/zinc/43/99/97/991439997.db2.gz FKBKEBLEXJAIKG-QMMMGPOBSA-N 1 2 241.291 1.199 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cccnn2)CCO1 ZINC001139974146 991446493 /nfs/dbraw/zinc/44/64/93/991446493.db2.gz SDLLZPCICIMUGS-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cccnn2)CCO1 ZINC001139974146 991446499 /nfs/dbraw/zinc/44/64/99/991446499.db2.gz SDLLZPCICIMUGS-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO C/C=C/[C@@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001139979796 991447961 /nfs/dbraw/zinc/44/79/61/991447961.db2.gz BUBHVFVNSMVZRF-VMZHVLLKSA-N 1 2 231.255 1.210 20 0 BDADLO C[C@H]1C[NH+](Cc2ccnnc2)C[C@H](C)O1 ZINC001139980253 991450528 /nfs/dbraw/zinc/45/05/28/991450528.db2.gz LDVHIWWTBCSWBV-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccnnc2)C[C@@H](C)O1 ZINC001139980252 991452646 /nfs/dbraw/zinc/45/26/46/991452646.db2.gz LDVHIWWTBCSWBV-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1C)CO2 ZINC001560374778 991465851 /nfs/dbraw/zinc/46/58/51/991465851.db2.gz RMNXDRNMJMNGRL-LBPRGKRZSA-N 1 2 243.310 1.952 20 0 BDADLO CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC001317223990 991466221 /nfs/dbraw/zinc/46/62/21/991466221.db2.gz XOYIPFXQQLGEMK-JGVFFNPUSA-N 1 2 242.348 1.103 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1ccnnc1 ZINC001139987144 991467033 /nfs/dbraw/zinc/46/70/33/991467033.db2.gz ZXVUATQDDUGSDF-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1ccnnc1 ZINC001139987144 991467037 /nfs/dbraw/zinc/46/70/37/991467037.db2.gz ZXVUATQDDUGSDF-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2cnc(Cl)nc2)C1 ZINC001139993659 991472185 /nfs/dbraw/zinc/47/21/85/991472185.db2.gz UTEZRMKURWEUTO-MRVPVSSYSA-N 1 2 241.722 1.597 20 0 BDADLO Nc1nccnc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001140007641 991477326 /nfs/dbraw/zinc/47/73/26/991477326.db2.gz DCFKUZQQMINUFM-VIFPVBQESA-N 1 2 224.283 1.383 20 0 BDADLO Nc1nccnc1C[N@H+]1CCCC[C@H](F)C1 ZINC001140007641 991477336 /nfs/dbraw/zinc/47/73/36/991477336.db2.gz DCFKUZQQMINUFM-VIFPVBQESA-N 1 2 224.283 1.383 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H](C)O ZINC001258594807 991490218 /nfs/dbraw/zinc/49/02/18/991490218.db2.gz OFFNWRUIEPBFQJ-MXWKQRLJSA-N 1 2 243.347 1.467 20 0 BDADLO CNc1nccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001140040529 991492626 /nfs/dbraw/zinc/49/26/26/991492626.db2.gz MICJXQSOFRMUTL-BDAKNGLRSA-N 1 2 224.283 1.451 20 0 BDADLO CNc1nccc(C[N@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001140040529 991492632 /nfs/dbraw/zinc/49/26/32/991492632.db2.gz MICJXQSOFRMUTL-BDAKNGLRSA-N 1 2 224.283 1.451 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001140051014 991504717 /nfs/dbraw/zinc/50/47/17/991504717.db2.gz RYXKHAGOPPCUCR-VXGBXAGGSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001140051014 991504729 /nfs/dbraw/zinc/50/47/29/991504729.db2.gz RYXKHAGOPPCUCR-VXGBXAGGSA-N 1 2 243.253 1.436 20 0 BDADLO C[N@@H+](Cc1ccncc1O)C1(C)COC1 ZINC001140276626 991573258 /nfs/dbraw/zinc/57/32/58/991573258.db2.gz IFZIHCXKQRBPPI-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CCCCC[C@@H](CCC)[NH2+][C@H](CO)C(=O)OC ZINC001258663190 991574529 /nfs/dbraw/zinc/57/45/29/991574529.db2.gz WRJIOKHLJVZRNB-VXGBXAGGSA-N 1 2 245.363 1.859 20 0 BDADLO CCCOC1C[NH+](Cc2ccncc2O)C1 ZINC001140277649 991588181 /nfs/dbraw/zinc/58/81/81/991588181.db2.gz IRWJIUWLNCBCBF-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1ccncc1O ZINC001140281466 991598956 /nfs/dbraw/zinc/59/89/56/991598956.db2.gz CZGJHUHOWPHUKZ-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1ccncc1O ZINC001140281466 991598965 /nfs/dbraw/zinc/59/89/65/991598965.db2.gz CZGJHUHOWPHUKZ-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)CC2(C)CC2)C1 ZINC001318041021 991613016 /nfs/dbraw/zinc/61/30/16/991613016.db2.gz FBULYTWKWMKHFN-UHFFFAOYSA-N 1 2 236.359 1.943 20 0 BDADLO c1[nH]nc2ccc(C[NH+]3CC4(C3)CCCO4)cc12 ZINC001140385381 991630813 /nfs/dbraw/zinc/63/08/13/991630813.db2.gz ZIXVSEGDJLJUSB-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ncccc1F ZINC001560887308 991639401 /nfs/dbraw/zinc/63/94/01/991639401.db2.gz RGHGBSHYYZTACZ-VIFPVBQESA-N 1 2 239.294 1.223 20 0 BDADLO COC1CC(CNc2cc(CO)cc[nH+]2)C1 ZINC001560896385 991642018 /nfs/dbraw/zinc/64/20/18/991642018.db2.gz WTYMLODOZRDIKS-UHFFFAOYSA-N 1 2 222.288 1.411 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@H]1C1CC1)n1cc[nH+]c1 ZINC001318307844 991646805 /nfs/dbraw/zinc/64/68/05/991646805.db2.gz PUNAWRBACKPKNJ-JQWIXIFHSA-N 1 2 233.315 1.845 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1CCC2(CC2)CC1 ZINC001140469717 991647147 /nfs/dbraw/zinc/64/71/47/991647147.db2.gz WQZZFGIBJGBNFY-UHFFFAOYSA-N 1 2 235.287 1.264 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140472394 991650572 /nfs/dbraw/zinc/65/05/72/991650572.db2.gz OSFIZXDXNZZDDS-MWLCHTKSSA-N 1 2 249.314 1.652 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140472394 991650575 /nfs/dbraw/zinc/65/05/75/991650575.db2.gz OSFIZXDXNZZDDS-MWLCHTKSSA-N 1 2 249.314 1.652 20 0 BDADLO CSCC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318609669 991685142 /nfs/dbraw/zinc/68/51/42/991685142.db2.gz BXKZRDYTLQCQKK-UWVGGRQHSA-N 1 2 241.360 1.702 20 0 BDADLO CCCC[C@H](CCC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001258753108 991697263 /nfs/dbraw/zinc/69/72/63/991697263.db2.gz RORBASCFBBNTCN-WOPDTQHZSA-N 1 2 245.363 1.857 20 0 BDADLO CC1(C)CC(=O)N1C[NH+]1CCSCC1 ZINC001318749107 991712786 /nfs/dbraw/zinc/71/27/86/991712786.db2.gz MIFWDIZAMFKPPO-UHFFFAOYSA-N 1 2 214.334 1.004 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001258778996 991743062 /nfs/dbraw/zinc/74/30/62/991743062.db2.gz PRTISZBLNCXOFD-GARJFASQSA-N 1 2 231.336 1.325 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCc2ccoc2)c1 ZINC001563799088 991756675 /nfs/dbraw/zinc/75/66/75/991756675.db2.gz SNWWNASSUGVODA-UHFFFAOYSA-N 1 2 248.286 1.055 20 0 BDADLO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258781832 991756402 /nfs/dbraw/zinc/75/64/02/991756402.db2.gz GFMVGXKLHXZZOR-DDHJBXDOSA-N 1 2 245.363 1.713 20 0 BDADLO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)ccn1 ZINC001319033765 991769019 /nfs/dbraw/zinc/76/90/19/991769019.db2.gz WOAZDYAARILLPA-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CC1(C)CC(NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001565109316 991784774 /nfs/dbraw/zinc/78/47/74/991784774.db2.gz FNWXWIQMZJYLTR-UHFFFAOYSA-N 1 2 248.330 1.652 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+]C1CCC(C(C)C)CC1 ZINC001258798245 991791476 /nfs/dbraw/zinc/79/14/76/991791476.db2.gz ZNBOMAITUZRQSI-HTAVTVPLSA-N 1 2 243.347 1.325 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC001258807247 991806683 /nfs/dbraw/zinc/80/66/83/991806683.db2.gz GNXXNKLDHRLOTF-ZJUUUORDSA-N 1 2 211.305 1.860 20 0 BDADLO C[C@H](C(=O)N[C@H]1C=CCCC1)n1cc[nH+]c1 ZINC001319254864 991825471 /nfs/dbraw/zinc/82/54/71/991825471.db2.gz CFRXBYJDWPULEP-MNOVXSKESA-N 1 2 219.288 1.669 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CCC(=O)CC1 ZINC001566188776 991829557 /nfs/dbraw/zinc/82/95/57/991829557.db2.gz IIWNFMWJKLNAAH-UHFFFAOYSA-N 1 2 249.314 1.484 20 0 BDADLO C[C@H]1CCC[C@@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001258822253 991840696 /nfs/dbraw/zinc/84/06/96/991840696.db2.gz BJLUTACLKKBANM-VHSXEESVSA-N 1 2 231.361 1.294 20 0 BDADLO CC[NH2+][C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001566840157 991886464 /nfs/dbraw/zinc/88/64/64/991886464.db2.gz RUBZRTGXMXQAAB-XVMARJQXSA-N 1 2 242.216 1.144 20 0 BDADLO CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001566840157 991886469 /nfs/dbraw/zinc/88/64/69/991886469.db2.gz RUBZRTGXMXQAAB-XVMARJQXSA-N 1 2 242.216 1.144 20 0 BDADLO Cc1nc([C@H](C)NC(=O)[C@H](C)n2cc[nH+]c2)no1 ZINC001319757813 991968339 /nfs/dbraw/zinc/96/83/39/991968339.db2.gz JHIZXISBXDREQT-YUMQZZPRSA-N 1 2 249.274 1.013 20 0 BDADLO C[C@H](C(=O)N1CC=CCC1)n1cc[nH+]c1 ZINC001320026691 992076827 /nfs/dbraw/zinc/07/68/27/992076827.db2.gz VGNFXTFTDWQSPX-SNVBAGLBSA-N 1 2 205.261 1.233 20 0 BDADLO CCC[C@@H](C)CC(=O)NCC1C[NH+](CCF)C1 ZINC001567825135 992103342 /nfs/dbraw/zinc/10/33/42/992103342.db2.gz VEPDHPSUMWDWGL-LLVKDONJSA-N 1 2 244.354 1.830 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCC2OCCCO2)no1 ZINC001320104100 992104455 /nfs/dbraw/zinc/10/44/55/992104455.db2.gz HUADRFZPYLZRLC-QMMMGPOBSA-N 1 2 241.291 1.182 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC001260723802 992136783 /nfs/dbraw/zinc/13/67/83/992136783.db2.gz KHCMNJPBWXYQQL-NSHDSACASA-N 1 2 248.392 1.141 20 0 BDADLO CCc1cc(C(=O)Nc2cc[nH+]c(C)c2)nn1C ZINC001320246437 992141060 /nfs/dbraw/zinc/14/10/60/992141060.db2.gz IGGZXEYCZHWHET-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001260740022 992153828 /nfs/dbraw/zinc/15/38/28/992153828.db2.gz NZMPHSDPXNHJJS-MNOVXSKESA-N 1 2 248.392 1.141 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001260740022 992153833 /nfs/dbraw/zinc/15/38/33/992153833.db2.gz NZMPHSDPXNHJJS-MNOVXSKESA-N 1 2 248.392 1.141 20 0 BDADLO C[C@H](C(=O)NCC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001320516183 992226835 /nfs/dbraw/zinc/22/68/35/992226835.db2.gz MMFYYVKJUXRLOC-SNVBAGLBSA-N 1 2 235.331 1.997 20 0 BDADLO CCc1onc(C)c1NC(=O)Cc1c[nH+]cn1C ZINC001320801090 992362927 /nfs/dbraw/zinc/36/29/27/992362927.db2.gz RVVUJLUPCOKTRD-UHFFFAOYSA-N 1 2 248.286 1.460 20 0 BDADLO Cc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)[nH]n1 ZINC001320856834 992380505 /nfs/dbraw/zinc/38/05/05/992380505.db2.gz VRRLASNDKVZUDI-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)[nH]n1 ZINC001320856834 992380518 /nfs/dbraw/zinc/38/05/18/992380518.db2.gz VRRLASNDKVZUDI-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1ccncc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001569430054 992389622 /nfs/dbraw/zinc/38/96/22/992389622.db2.gz KSCVHPUZPZLQHU-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO O=C(c1ccco1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569473118 992394488 /nfs/dbraw/zinc/39/44/88/992394488.db2.gz XXYOKMDNGRRNJM-UWVGGRQHSA-N 1 2 238.262 1.148 20 0 BDADLO O=C(c1ccco1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569473118 992394500 /nfs/dbraw/zinc/39/45/00/992394500.db2.gz XXYOKMDNGRRNJM-UWVGGRQHSA-N 1 2 238.262 1.148 20 0 BDADLO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2nc[nH]n2)C1 ZINC001261638057 992429088 /nfs/dbraw/zinc/42/90/88/992429088.db2.gz OQSXZJXSHWVTIV-NXEZZACHSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nc[nH]n2)C1 ZINC001261638057 992429093 /nfs/dbraw/zinc/42/90/93/992429093.db2.gz OQSXZJXSHWVTIV-NXEZZACHSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CCSC1)n1cc[nH+]c1 ZINC001321046010 992437443 /nfs/dbraw/zinc/43/74/43/992437443.db2.gz GBVSUJWURHGQQN-VHSXEESVSA-N 1 2 239.344 1.313 20 0 BDADLO C[C@H](C(=O)NCCC1(C)CC1)n1cc[nH+]c1 ZINC001321064989 992446127 /nfs/dbraw/zinc/44/61/27/992446127.db2.gz IMLJAFWHWAKPJE-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@@H](O)CCC(C)C)no1 ZINC001321128081 992465246 /nfs/dbraw/zinc/46/52/46/992465246.db2.gz DOEQVRKPOCBHTF-ONGXEEELSA-N 1 2 241.335 1.826 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccnc(N)c2)s1 ZINC001321328232 992515878 /nfs/dbraw/zinc/51/58/78/992515878.db2.gz HUMXVHVOKHUPSY-ZETCQYMHSA-N 1 2 249.343 1.675 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC(C)(C)C1(C)C ZINC001262006131 992585325 /nfs/dbraw/zinc/58/53/25/992585325.db2.gz AEZZQXWGDCFACF-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CCn1ncnc1C[N@H+]1CC(C)(C)C1(C)C ZINC001262006131 992585327 /nfs/dbraw/zinc/58/53/27/992585327.db2.gz AEZZQXWGDCFACF-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N=S1(=O)CC[NH2+]CC1 ZINC001573672579 992672542 /nfs/dbraw/zinc/67/25/42/992672542.db2.gz JVSRRCJQKHHBLJ-VHSXEESVSA-N 1 2 246.376 1.266 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC/C=C/C1CC1 ZINC001262173610 992753844 /nfs/dbraw/zinc/75/38/44/992753844.db2.gz NFCYQHVIUSJHEQ-OWOJBTEDSA-N 1 2 205.261 1.035 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)o1 ZINC001262340470 992844390 /nfs/dbraw/zinc/84/43/90/992844390.db2.gz CRKAKUSDTVXIJU-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO CCc1cc(N[C@H]2CC(=O)N(C)C2)nc(CC)[nH+]1 ZINC001262357393 992855216 /nfs/dbraw/zinc/85/52/16/992855216.db2.gz JZZABELYWOEIFS-JTQLQIEISA-N 1 2 248.330 1.244 20 0 BDADLO COc1nccc(C[N@H+]2CC=CCC2)c1F ZINC001262364658 992860389 /nfs/dbraw/zinc/86/03/89/992860389.db2.gz FCERYJAYUXMBJQ-UHFFFAOYSA-N 1 2 222.263 1.991 20 0 BDADLO COc1nccc(C[N@@H+]2CC=CCC2)c1F ZINC001262364658 992860393 /nfs/dbraw/zinc/86/03/93/992860393.db2.gz FCERYJAYUXMBJQ-UHFFFAOYSA-N 1 2 222.263 1.991 20 0 BDADLO CC(C)c1n[nH]c(NC(=O)C23CCC(CC2)[NH2+]3)n1 ZINC001575893431 993118114 /nfs/dbraw/zinc/11/81/14/993118114.db2.gz NTXPBXFLDSLAAD-UHFFFAOYSA-N 1 2 249.318 1.151 20 0 BDADLO CC(C)c1nnc(NC(=O)C23CCC(CC2)[NH2+]3)[nH]1 ZINC001575893431 993118118 /nfs/dbraw/zinc/11/81/18/993118118.db2.gz NTXPBXFLDSLAAD-UHFFFAOYSA-N 1 2 249.318 1.151 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@H](O)C(C)C)no1 ZINC000379914862 993295114 /nfs/dbraw/zinc/29/51/14/993295114.db2.gz BGHIMDWFAYDZCJ-APPZFPTMSA-N 1 2 213.281 1.046 20 0 BDADLO COc1cc(-c2ccc(N)[nH+]c2)ccc1O ZINC000380888193 993356447 /nfs/dbraw/zinc/35/64/47/993356447.db2.gz LBSLAMBPNMSKKL-UHFFFAOYSA-N 1 2 216.240 1.875 20 0 BDADLO Cc1cc([NH2+]CCn2cnnc2)ccc1N ZINC000381799402 993426353 /nfs/dbraw/zinc/42/63/53/993426353.db2.gz PNSQOOWEEUBLPW-UHFFFAOYSA-N 1 2 217.276 1.281 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001263699659 993466835 /nfs/dbraw/zinc/46/68/35/993466835.db2.gz WKASEVYDICPTLC-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO CNc1cc(CNC(=O)N2C[C@H](C)[C@H]2C)cc[nH+]1 ZINC001263778949 993508741 /nfs/dbraw/zinc/50/87/41/993508741.db2.gz VIPPJOOKJCBFQG-VHSXEESVSA-N 1 2 248.330 1.673 20 0 BDADLO CNc1cc(CNC(=O)N2C[C@@H](C)[C@H]2C)cc[nH+]1 ZINC001263778947 993510323 /nfs/dbraw/zinc/51/03/23/993510323.db2.gz VIPPJOOKJCBFQG-NXEZZACHSA-N 1 2 248.330 1.673 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cc(F)ccc1N ZINC000384212259 993556845 /nfs/dbraw/zinc/55/68/45/993556845.db2.gz BUTAWKZUPCOJIS-UHFFFAOYSA-N 1 2 248.261 1.071 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1=CCCCCC1 ZINC001263920896 993607339 /nfs/dbraw/zinc/60/73/39/993607339.db2.gz YVXQSMSHQNELKF-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO COc1ccc[nH+]c1NCc1cncnc1 ZINC000390587712 993794240 /nfs/dbraw/zinc/79/42/40/993794240.db2.gz YMQRHYXHMWLGRT-UHFFFAOYSA-N 1 2 216.244 1.492 20 0 BDADLO COCC(COC)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000391981822 993829775 /nfs/dbraw/zinc/82/97/75/993829775.db2.gz RCXCADSXBCEYKO-ZETCQYMHSA-N 1 2 245.348 1.159 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000724785604 994076361 /nfs/dbraw/zinc/07/63/61/994076361.db2.gz AWVOQILQCLYSLN-SECBINFHSA-N 1 2 249.236 1.481 20 0 BDADLO Cc1[nH]cc(CN2CCO[C@@H](C(F)(F)F)C2)[nH+]1 ZINC000724785604 994076379 /nfs/dbraw/zinc/07/63/79/994076379.db2.gz AWVOQILQCLYSLN-SECBINFHSA-N 1 2 249.236 1.481 20 0 BDADLO Cc1[nH]c(CN2CCCC(F)(F)C2)c[nH+]1 ZINC000724778350 994077142 /nfs/dbraw/zinc/07/71/42/994077142.db2.gz UUCDOWDRPFAKGS-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO Cc1[nH]cc(CN2CCCC(F)(F)C2)[nH+]1 ZINC000724778350 994077149 /nfs/dbraw/zinc/07/71/49/994077149.db2.gz UUCDOWDRPFAKGS-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO CCC[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001280399333 994106411 /nfs/dbraw/zinc/10/64/11/994106411.db2.gz LJXNDXXVGVGDQG-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001280399333 994106418 /nfs/dbraw/zinc/10/64/18/994106418.db2.gz LJXNDXXVGVGDQG-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO COC1(C[NH2+]Cc2c[nH]nn2)CCCCCC1 ZINC001474640879 994425539 /nfs/dbraw/zinc/42/55/39/994425539.db2.gz QCCSBMUUEKXPKD-UHFFFAOYSA-N 1 2 238.335 1.634 20 0 BDADLO COC1(C[NH2+]Cc2cn[nH]n2)CCCCCC1 ZINC001474640879 994425543 /nfs/dbraw/zinc/42/55/43/994425543.db2.gz QCCSBMUUEKXPKD-UHFFFAOYSA-N 1 2 238.335 1.634 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@@H]4COC[C@H]4C3)c12 ZINC001333776968 994519405 /nfs/dbraw/zinc/51/94/05/994519405.db2.gz MCQDJDVUOARJEJ-GHMZBOCLSA-N 1 2 244.298 1.202 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC001290606564 994548286 /nfs/dbraw/zinc/54/82/86/994548286.db2.gz NSWOXHKZBDOTDR-LBPRGKRZSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC001290606564 994548297 /nfs/dbraw/zinc/54/82/97/994548297.db2.gz NSWOXHKZBDOTDR-LBPRGKRZSA-N 1 2 244.298 1.596 20 0 BDADLO C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(C(=O)[O-])co1 ZINC001593265119 994570440 /nfs/dbraw/zinc/57/04/40/994570440.db2.gz PTBXQCCZGYVKKB-SECBINFHSA-N 1 2 240.303 1.580 20 0 BDADLO C[C@@]([NH2+]CCCn1cc[nH+]c1)(C(=O)[O-])C1CC1 ZINC001593267334 994588424 /nfs/dbraw/zinc/58/84/24/994588424.db2.gz OMGSPYPNLXESMK-LBPRGKRZSA-N 1 2 237.303 1.116 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1ccccc1O ZINC001291896030 994589692 /nfs/dbraw/zinc/58/96/92/994589692.db2.gz IPYYIABXMRDBJN-UHFFFAOYSA-N 1 2 245.282 1.697 20 0 BDADLO COc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)nc1 ZINC001334457725 994599503 /nfs/dbraw/zinc/59/95/03/994599503.db2.gz FGHWZIBSJLOIFY-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC2(CCC2)C1 ZINC001294842902 994716544 /nfs/dbraw/zinc/71/65/44/994716544.db2.gz GXJQTGURPVVLIN-NSHDSACASA-N 1 2 245.326 1.458 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(CCC2)C1 ZINC001294843114 994718442 /nfs/dbraw/zinc/71/84/42/994718442.db2.gz GASJHMQGPJIDNV-JTQLQIEISA-N 1 2 233.315 1.601 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CCC2)C1 ZINC001294843114 994718452 /nfs/dbraw/zinc/71/84/52/994718452.db2.gz GASJHMQGPJIDNV-JTQLQIEISA-N 1 2 233.315 1.601 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2ccncc21 ZINC001295926344 994788444 /nfs/dbraw/zinc/78/84/44/994788444.db2.gz BINCWAMXGMAVBP-LLVKDONJSA-N 1 2 231.299 1.065 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2ccncc21 ZINC001295926344 994788455 /nfs/dbraw/zinc/78/84/55/994788455.db2.gz BINCWAMXGMAVBP-LLVKDONJSA-N 1 2 231.299 1.065 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1nccn1C ZINC001336018825 994926668 /nfs/dbraw/zinc/92/66/68/994926668.db2.gz QQWPGJKJZGABKC-ZJUUUORDSA-N 1 2 247.302 1.055 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001337235216 995152015 /nfs/dbraw/zinc/15/20/15/995152015.db2.gz DJEOWJZNWZHGIM-RYUDHWBXSA-N 1 2 249.314 1.040 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC001339103330 995253903 /nfs/dbraw/zinc/25/39/03/995253903.db2.gz OBEBYCZMVUNLPG-RYUDHWBXSA-N 1 2 248.326 1.874 20 0 BDADLO COc1ccccc1Cc1cn(CCCO)c[nH+]1 ZINC001307407276 995343479 /nfs/dbraw/zinc/34/34/79/995343479.db2.gz CQQMWFNUMWRKKP-UHFFFAOYSA-N 1 2 246.310 1.865 20 0 BDADLO COc1nscc1C[N@@H+](C)C[C@@H](C)OC ZINC001307748872 995451616 /nfs/dbraw/zinc/45/16/16/995451616.db2.gz QTBMLGBSOMQGAO-MRVPVSSYSA-N 1 2 230.333 1.618 20 0 BDADLO COc1nscc1C[N@H+](C)C[C@@H](C)OC ZINC001307748872 995451621 /nfs/dbraw/zinc/45/16/21/995451621.db2.gz QTBMLGBSOMQGAO-MRVPVSSYSA-N 1 2 230.333 1.618 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CCn2nccc2C1 ZINC001307956895 995509243 /nfs/dbraw/zinc/50/92/43/995509243.db2.gz BEINJOWPWBLAQZ-GFCCVEGCSA-N 1 2 223.320 1.106 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CCn2nccc2C1 ZINC001307956895 995509250 /nfs/dbraw/zinc/50/92/50/995509250.db2.gz BEINJOWPWBLAQZ-GFCCVEGCSA-N 1 2 223.320 1.106 20 0 BDADLO CCCCOCC[N@H+](C)Cc1ccn(C)n1 ZINC001308151871 995575036 /nfs/dbraw/zinc/57/50/36/995575036.db2.gz POJKXBKLKNOULK-UHFFFAOYSA-N 1 2 225.336 1.669 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC001308151871 995575039 /nfs/dbraw/zinc/57/50/39/995575039.db2.gz POJKXBKLKNOULK-UHFFFAOYSA-N 1 2 225.336 1.669 20 0 BDADLO CC(C)(C(=O)NCCC1(C)CC1)c1c[nH]c[nH+]1 ZINC000621984616 370644415 /nfs/dbraw/zinc/64/44/15/370644415.db2.gz BZTVSAXPQNWUPM-UHFFFAOYSA-N 1 2 235.331 1.994 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621984980 370644477 /nfs/dbraw/zinc/64/44/77/370644477.db2.gz PFBGFLQNQVOJCY-DTORHVGOSA-N 1 2 221.304 1.697 20 0 BDADLO CCn1cc(C[NH2+]CC(C)(F)F)cn1 ZINC000378684259 346807466 /nfs/dbraw/zinc/80/74/66/346807466.db2.gz ACILOAPJCQQWKN-UHFFFAOYSA-N 1 2 203.236 1.648 20 0 BDADLO CC(=O)c1ccc(C[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000296624190 398139770 /nfs/dbraw/zinc/13/97/70/398139770.db2.gz VCEXUKNVWZZJMA-UHFFFAOYSA-N 1 2 248.326 1.585 20 0 BDADLO CC(=O)c1ccc(C[N@H+](CC(N)=O)C(C)C)cc1 ZINC000296624190 398139772 /nfs/dbraw/zinc/13/97/72/398139772.db2.gz VCEXUKNVWZZJMA-UHFFFAOYSA-N 1 2 248.326 1.585 20 0 BDADLO COC(=O)c1ccoc1Cn1cc[nH+]c1 ZINC000340546575 398140719 /nfs/dbraw/zinc/14/07/19/398140719.db2.gz PFUQUDUICKFDBD-UHFFFAOYSA-N 1 2 206.201 1.311 20 0 BDADLO CNc1nc(N2CC=CCC2)[nH+]c2ccccc21 ZINC000649320208 398143508 /nfs/dbraw/zinc/14/35/08/398143508.db2.gz OXPNKAFAXIXVBN-UHFFFAOYSA-N 1 2 240.310 1.860 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649863860 398145330 /nfs/dbraw/zinc/14/53/30/398145330.db2.gz RPYKDPOLXCTGJO-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649863860 398145335 /nfs/dbraw/zinc/14/53/35/398145335.db2.gz RPYKDPOLXCTGJO-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO c1cn(CCN2CC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000161566348 349473657 /nfs/dbraw/zinc/47/36/57/349473657.db2.gz NOAQIDNFVQQNOD-CYBMUJFWSA-N 1 2 234.347 1.053 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161620840 349476966 /nfs/dbraw/zinc/47/69/66/349476966.db2.gz UKSKQZVZHNZSKG-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO CCCCn1nnnc1C[NH+]1CCCC1 ZINC000061757044 343979360 /nfs/dbraw/zinc/97/93/60/343979360.db2.gz AGSFAZPVIIGCRV-UHFFFAOYSA-N 1 2 209.297 1.069 20 0 BDADLO CCC(CC)(NCc1[nH+]ccn1C)C(=O)OC ZINC000338389400 168332722 /nfs/dbraw/zinc/33/27/22/168332722.db2.gz RROBYWWWYGORIY-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO C[C@@H](N[C@@H](C)c1[nH+]ccn1C)C(F)F ZINC000389908859 398148507 /nfs/dbraw/zinc/14/85/07/398148507.db2.gz CZKHCCBEAQOFAZ-RQJHMYQMSA-N 1 2 203.236 1.724 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@H](C)CCO)no1 ZINC000649867738 398150387 /nfs/dbraw/zinc/15/03/87/398150387.db2.gz QQDHJPZPQLKYCL-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@H](C)CCO)no1 ZINC000649867738 398150390 /nfs/dbraw/zinc/15/03/90/398150390.db2.gz QQDHJPZPQLKYCL-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)C(F)F)cn1 ZINC000389950613 398151067 /nfs/dbraw/zinc/15/10/67/398151067.db2.gz SPGMTRRNKUMYDN-SSDOTTSWSA-N 1 2 203.236 1.646 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)no1 ZINC000372735333 178005088 /nfs/dbraw/zinc/00/50/88/178005088.db2.gz FBCAJYOMLJNRON-ZMLRMANQSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)no1 ZINC000372735333 178005089 /nfs/dbraw/zinc/00/50/89/178005089.db2.gz FBCAJYOMLJNRON-ZMLRMANQSA-N 1 2 249.314 1.069 20 0 BDADLO CCn1c[nH+]cc1CN[C@H](C)C(F)F ZINC000389942921 398152835 /nfs/dbraw/zinc/15/28/35/398152835.db2.gz OHIGMAMZDDRRNM-SSDOTTSWSA-N 1 2 203.236 1.646 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccco1 ZINC000269082269 538919571 /nfs/dbraw/zinc/91/95/71/538919571.db2.gz IXJLSRIAIYYILF-UHFFFAOYSA-N 1 2 247.298 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](O)C1 ZINC000649893555 398168101 /nfs/dbraw/zinc/16/81/01/398168101.db2.gz JPYVUTQWWFGOSH-HTQZYQBOSA-N 1 2 213.306 1.056 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](O)C1 ZINC000649893555 398168107 /nfs/dbraw/zinc/16/81/07/398168107.db2.gz JPYVUTQWWFGOSH-HTQZYQBOSA-N 1 2 213.306 1.056 20 0 BDADLO Cc1nc(N2CC([C@@H]3CCOC3)C2)c(C)c(C)[nH+]1 ZINC000366495769 398168357 /nfs/dbraw/zinc/16/83/57/398168357.db2.gz UEHYSWFNVHZWLV-GFCCVEGCSA-N 1 2 247.342 1.875 20 0 BDADLO CN(CCC1CC1)c1nc[nH+]c(N)c1Cl ZINC000277804751 398178658 /nfs/dbraw/zinc/17/86/58/398178658.db2.gz NTDPRPGRSAYJQF-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO CN(CCC1CC1)c1[nH+]cnc(N)c1Cl ZINC000277804751 398178661 /nfs/dbraw/zinc/17/86/61/398178661.db2.gz NTDPRPGRSAYJQF-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO CNc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000080628274 398182016 /nfs/dbraw/zinc/18/20/16/398182016.db2.gz WXWJVCALMNBQFP-UHFFFAOYSA-N 1 2 230.271 1.381 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccc(C)cn1 ZINC000385421115 398161466 /nfs/dbraw/zinc/16/14/66/398161466.db2.gz AWVXZXCCJMPXOF-UHFFFAOYSA-N 1 2 230.315 1.896 20 0 BDADLO C[C@@H](O)[C@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000270065981 538921527 /nfs/dbraw/zinc/92/15/27/538921527.db2.gz DCNFOQSKRJFBQP-DTWKUNHWSA-N 1 2 219.288 1.768 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CC1CC1 ZINC000649882887 398164755 /nfs/dbraw/zinc/16/47/55/398164755.db2.gz FNRGYOAZSSOXSK-GFCCVEGCSA-N 1 2 221.304 1.203 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CC1CC1 ZINC000649882887 398164759 /nfs/dbraw/zinc/16/47/59/398164759.db2.gz FNRGYOAZSSOXSK-GFCCVEGCSA-N 1 2 221.304 1.203 20 0 BDADLO CCN(CC(C)(C)C)C(=O)Cc1c[nH+]cn1C ZINC000558655137 398188058 /nfs/dbraw/zinc/18/80/58/398188058.db2.gz XONHOTVOGXOKQQ-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CC[C@H](C)O1 ZINC000188526994 346818909 /nfs/dbraw/zinc/81/89/09/346818909.db2.gz AXEJFJLHZAGWET-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CC[C@H](C)O1 ZINC000188526994 346818912 /nfs/dbraw/zinc/81/89/12/346818912.db2.gz AXEJFJLHZAGWET-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCN(C)C1=O ZINC000116395300 178095762 /nfs/dbraw/zinc/09/57/62/178095762.db2.gz LSCRTQSZDLFGCC-CYBMUJFWSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(N(C)CC[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000266269034 178098269 /nfs/dbraw/zinc/09/82/69/178098269.db2.gz QQQFXCRXUMAXQQ-SNVBAGLBSA-N 1 2 235.331 1.870 20 0 BDADLO Cc1cc(N(C)CC2CCOCC2)nc[nH+]1 ZINC000301958781 178099435 /nfs/dbraw/zinc/09/94/35/178099435.db2.gz LSIGWAFERAVZCR-UHFFFAOYSA-N 1 2 221.304 1.648 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(F)c[nH]1 ZINC000334260199 398194591 /nfs/dbraw/zinc/19/45/91/398194591.db2.gz VXROSZAJPPTTFB-SECBINFHSA-N 1 2 248.261 1.095 20 0 BDADLO C[C@@H](N[C@@H](C)c1[nH+]ccn1C)c1ccon1 ZINC000336747807 398196616 /nfs/dbraw/zinc/19/66/16/398196616.db2.gz SFQXDERWKHZSRV-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@@H](N[C@@H](C)c1ccon1)c1[nH+]ccn1C ZINC000336747808 398196805 /nfs/dbraw/zinc/19/68/05/398196805.db2.gz SFQXDERWKHZSRV-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1cc(N)nc(SCC(=O)CC2CC2)[nH+]1 ZINC000278350747 178108805 /nfs/dbraw/zinc/10/88/05/178108805.db2.gz ZNNWBBMYZWUMSU-UHFFFAOYSA-N 1 2 237.328 1.829 20 0 BDADLO Cc1cc(N)nc(SCOC2CCC2)[nH+]1 ZINC000289810577 178109470 /nfs/dbraw/zinc/10/94/70/178109470.db2.gz ZHLYUQORGYSSSM-UHFFFAOYSA-N 1 2 225.317 1.986 20 0 BDADLO CCCCNc1cc(NC[C@H]2C[C@@H]2C)nc(N)[nH+]1 ZINC000341783905 398185388 /nfs/dbraw/zinc/18/53/88/398185388.db2.gz YVFZPOUWXZMAOV-VHSXEESVSA-N 1 2 249.362 1.591 20 0 BDADLO CCCCNc1cc(NC[C@H]2C[C@@H]2C)[nH+]c(N)n1 ZINC000341783905 398185392 /nfs/dbraw/zinc/18/53/92/398185392.db2.gz YVFZPOUWXZMAOV-VHSXEESVSA-N 1 2 249.362 1.591 20 0 BDADLO Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)nc[nH+]1 ZINC000133146481 178114365 /nfs/dbraw/zinc/11/43/65/178114365.db2.gz NSJLOGKHXBHEOZ-GHMZBOCLSA-N 1 2 221.304 1.525 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccnnc1 ZINC000341782590 398185432 /nfs/dbraw/zinc/18/54/32/398185432.db2.gz ORRIOSRUMXYFMW-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO Cc1cc(N2CCSC[C@H](C)C2)nc[nH+]1 ZINC000302758776 178116099 /nfs/dbraw/zinc/11/60/99/178116099.db2.gz XNPKAZJYRZQYKP-SECBINFHSA-N 1 2 223.345 1.974 20 0 BDADLO Cc1cc(N2CCSC[C@@H](C)C2)nc[nH+]1 ZINC000302758777 178116835 /nfs/dbraw/zinc/11/68/35/178116835.db2.gz XNPKAZJYRZQYKP-VIFPVBQESA-N 1 2 223.345 1.974 20 0 BDADLO Cc1cc(N2CC[C@@H](CO)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000362664084 178117784 /nfs/dbraw/zinc/11/77/84/178117784.db2.gz LZAKGJMQLTXORG-JQWIXIFHSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2CC[C@@](C)(O)C2)nc(C2CC2)[nH+]1 ZINC000175061541 178117984 /nfs/dbraw/zinc/11/79/84/178117984.db2.gz LYYJGUCEIHWKKC-CYBMUJFWSA-N 1 2 233.315 1.624 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000163092943 538926405 /nfs/dbraw/zinc/92/64/05/538926405.db2.gz LKMUMMQXUAMLTI-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(F)F ZINC000163092943 538926406 /nfs/dbraw/zinc/92/64/06/538926406.db2.gz LKMUMMQXUAMLTI-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000351504117 178120471 /nfs/dbraw/zinc/12/04/71/178120471.db2.gz ZSKVGVIIVUGXJW-MWLCHTKSSA-N 1 2 235.331 1.725 20 0 BDADLO Cc1cc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)nc[nH+]1 ZINC000338830726 178120625 /nfs/dbraw/zinc/12/06/25/178120625.db2.gz PRUFFKCHLWRZHJ-KGLIPLIRSA-N 1 2 245.326 1.933 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000357676813 178120914 /nfs/dbraw/zinc/12/09/14/178120914.db2.gz VSUCIEBMMQHCFK-JQWIXIFHSA-N 1 2 249.358 1.973 20 0 BDADLO c1coc(-c2nnc(Cn3cc[nH+]c3)o2)c1 ZINC000175519925 365559916 /nfs/dbraw/zinc/55/99/16/365559916.db2.gz MIJMSIRUCIJTEU-UHFFFAOYSA-N 1 2 216.200 1.574 20 0 BDADLO Cc1cc(N2C[C@H](O)C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000279493590 178122573 /nfs/dbraw/zinc/12/25/73/178122573.db2.gz OUWPRZMZKLEYKH-NSHDSACASA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2C[C@H](O)C3(CC3)C2)nc(C2CC2)[nH+]1 ZINC000373596933 178122750 /nfs/dbraw/zinc/12/27/50/178122750.db2.gz OVIFEWZUTKOKIR-NSHDSACASA-N 1 2 245.326 1.624 20 0 BDADLO Cc1cc(NC(=O)C(=O)C(C)(C)C)cc[nH+]1 ZINC000266842087 178123154 /nfs/dbraw/zinc/12/31/54/178123154.db2.gz OGBKQAATTQQOAX-UHFFFAOYSA-N 1 2 220.272 1.944 20 0 BDADLO CCC(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000358341667 168340491 /nfs/dbraw/zinc/34/04/91/168340491.db2.gz SCMWHPMTJWVARM-SNVBAGLBSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1nc(N[C@@H](C)CCC(C)(C)C)nc(N)[nH+]1 ZINC000386275633 398204240 /nfs/dbraw/zinc/20/42/40/398204240.db2.gz PVFSLDIKXZPDMA-QMMMGPOBSA-N 1 2 237.351 1.641 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)CCC(C)(C)C)[nH+]1 ZINC000386275633 398204242 /nfs/dbraw/zinc/20/42/42/398204242.db2.gz PVFSLDIKXZPDMA-QMMMGPOBSA-N 1 2 237.351 1.641 20 0 BDADLO Cc1cc(NC(=O)NCC(C)(C)O)cc[nH+]1 ZINC000119794559 178139190 /nfs/dbraw/zinc/13/91/90/178139190.db2.gz OROZHLAUQNWZOQ-UHFFFAOYSA-N 1 2 223.276 1.282 20 0 BDADLO Cc1cc(NC(=O)Cc2ccnn2C)cc[nH+]1 ZINC000277959481 178134321 /nfs/dbraw/zinc/13/43/21/178134321.db2.gz RNYFWEVGWULYTM-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO Cc1cc(NC(=O)N(CCO)C2CC2)cc[nH+]1 ZINC000271005112 178135688 /nfs/dbraw/zinc/13/56/88/178135688.db2.gz GVSSUCGOUBVPDU-UHFFFAOYSA-N 1 2 235.287 1.379 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000192385164 178138027 /nfs/dbraw/zinc/13/80/27/178138027.db2.gz XQXJKKTXKWAFQT-KOLCDFICSA-N 1 2 249.314 1.482 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C12CC(C1)C2 ZINC000625564401 398200421 /nfs/dbraw/zinc/20/04/21/398200421.db2.gz JBGGAYRLLWZTJC-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000179826985 178141435 /nfs/dbraw/zinc/14/14/35/178141435.db2.gz AYYQZVQCABICEB-GHMZBOCLSA-N 1 2 235.287 1.425 20 0 BDADLO Cc1cc(NC(=O)[C@@H](O)C(C)C)cc[nH+]1 ZINC000291937118 178144066 /nfs/dbraw/zinc/14/40/66/178144066.db2.gz NAZLRCUFSRKNLL-JTQLQIEISA-N 1 2 208.261 1.345 20 0 BDADLO Cc1cc(NC(=O)[C@](C)(O)C2CC2)cc[nH+]1 ZINC000286457743 178149099 /nfs/dbraw/zinc/14/90/99/178149099.db2.gz SBNCBKIVUKQIQE-GFCCVEGCSA-N 1 2 220.272 1.490 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000650012116 398218976 /nfs/dbraw/zinc/21/89/76/398218976.db2.gz FYHWMSJOGLTFQP-OPRDCNLKSA-N 1 2 207.277 1.359 20 0 BDADLO Cc1[nH]nc(C(=O)Nc2cc[nH+]c(C)c2)c1C ZINC000265315936 178151860 /nfs/dbraw/zinc/15/18/60/178151860.db2.gz PPWGIPTVCPYYKG-UHFFFAOYSA-N 1 2 230.271 1.982 20 0 BDADLO Cc1cc(NCC(=O)NCc2ccco2)nc[nH+]1 ZINC000301271394 178154624 /nfs/dbraw/zinc/15/46/24/178154624.db2.gz VMJUGHATTKNMKW-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BDADLO Cc1cc(NC2CCC(CO)CC2)nc[nH+]1 ZINC000304546249 178155049 /nfs/dbraw/zinc/15/50/49/178155049.db2.gz DZTKUUPHZLQNMF-UHFFFAOYSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1cc(NCCC2(C)OCCO2)nc[nH+]1 ZINC000302147281 178157746 /nfs/dbraw/zinc/15/77/46/178157746.db2.gz IPDNTNKDLBIDCZ-UHFFFAOYSA-N 1 2 223.276 1.350 20 0 BDADLO Cc1cc(NCCCNc2ncccn2)nc[nH+]1 ZINC000301231009 178160077 /nfs/dbraw/zinc/16/00/77/178160077.db2.gz HOKJKDKRLIRLPE-UHFFFAOYSA-N 1 2 244.302 1.489 20 0 BDADLO Cc1cc(NCc2nnc3n2CCCC3)nc[nH+]1 ZINC000112515073 178176734 /nfs/dbraw/zinc/17/67/34/178176734.db2.gz CGQNVWBPLHWNFL-UHFFFAOYSA-N 1 2 244.302 1.325 20 0 BDADLO Cc1cc(NCc2nncn2C(C)C)nc[nH+]1 ZINC000301284974 178177218 /nfs/dbraw/zinc/17/72/18/178177218.db2.gz NYYDZXHCEMBCDP-UHFFFAOYSA-N 1 2 232.291 1.570 20 0 BDADLO Cc1cc(NCc2nc[nH]n2)nc(C(C)C)[nH+]1 ZINC000037920009 178177525 /nfs/dbraw/zinc/17/75/25/178177525.db2.gz XKWOZFHJZGJIFZ-UHFFFAOYSA-N 1 2 232.291 1.639 20 0 BDADLO Cc1cc(NCc2nnc[nH]2)nc(C(C)C)[nH+]1 ZINC000037920009 178177526 /nfs/dbraw/zinc/17/75/26/178177526.db2.gz XKWOZFHJZGJIFZ-UHFFFAOYSA-N 1 2 232.291 1.639 20 0 BDADLO Cc1cc(N[C@@H]2CCC(=O)NC2)nc(C(C)C)[nH+]1 ZINC000111021967 178179866 /nfs/dbraw/zinc/17/98/66/178179866.db2.gz QEJUWGKKLUYLIN-SNVBAGLBSA-N 1 2 248.330 1.599 20 0 BDADLO Cc1nc(NCC(=O)NC(C)(C)C)cc[nH+]1 ZINC000097093921 398223893 /nfs/dbraw/zinc/22/38/93/398223893.db2.gz ZOMRKPICPWPZAS-UHFFFAOYSA-N 1 2 222.292 1.112 20 0 BDADLO C[C@@H](O)CN(Cc1[nH+]ccn1C)c1ccccc1 ZINC000264061295 398224332 /nfs/dbraw/zinc/22/43/32/398224332.db2.gz IWWMQIWXJNWXMJ-GFCCVEGCSA-N 1 2 245.326 1.808 20 0 BDADLO Cc1nc2n(n1)CCC[C@@H]2Nc1cc(C)[nH+]cn1 ZINC000301561404 178190237 /nfs/dbraw/zinc/19/02/37/178190237.db2.gz JCPVTJMCXBZURT-JTQLQIEISA-N 1 2 244.302 1.632 20 0 BDADLO Cc1cc(N[C@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000300922334 178191101 /nfs/dbraw/zinc/19/11/01/178191101.db2.gz ZQRAWTGUCSUUAF-WPRPVWTQSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000168296335 178192078 /nfs/dbraw/zinc/19/20/78/178192078.db2.gz GBSYTRKAMGSYJR-IUCAKERBSA-N 1 2 207.277 1.356 20 0 BDADLO COCc1nc(C[N@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000430282039 398226420 /nfs/dbraw/zinc/22/64/20/398226420.db2.gz DWYKAJCCZXWYRZ-SECBINFHSA-N 1 2 237.303 1.614 20 0 BDADLO COCc1nc(C[N@@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000430282039 398226422 /nfs/dbraw/zinc/22/64/22/398226422.db2.gz DWYKAJCCZXWYRZ-SECBINFHSA-N 1 2 237.303 1.614 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000421382455 192325069 /nfs/dbraw/zinc/32/50/69/192325069.db2.gz XQNRNXPQYPRQIT-SCZZXKLOSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000421382455 192325071 /nfs/dbraw/zinc/32/50/71/192325071.db2.gz XQNRNXPQYPRQIT-SCZZXKLOSA-N 1 2 245.273 1.623 20 0 BDADLO CC[C@@H]1C[NH+](Cc2cncnc2)C[C@@H](CC)O1 ZINC000421385850 192327019 /nfs/dbraw/zinc/32/70/19/192327019.db2.gz GRPMEIJJPMMDKT-CHWSQXEVSA-N 1 2 235.331 1.866 20 0 BDADLO CC(C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276425366 538932081 /nfs/dbraw/zinc/93/20/81/538932081.db2.gz KJDOTLQMTHHJOH-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC(C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276425366 538932082 /nfs/dbraw/zinc/93/20/82/538932082.db2.gz KJDOTLQMTHHJOH-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO c1cn(Cc2nc([C@@H]3CCCS3)no2)c[nH+]1 ZINC000277877218 538934588 /nfs/dbraw/zinc/93/45/88/538934588.db2.gz KSSIROVABWFXCX-QMMMGPOBSA-N 1 2 236.300 1.883 20 0 BDADLO Cc1c(Cl)c(C[NH2+]CCF)nn1C ZINC000421397509 192329163 /nfs/dbraw/zinc/32/91/63/192329163.db2.gz RVYGTVWZPDJNHG-UHFFFAOYSA-N 1 2 205.664 1.441 20 0 BDADLO Cc1cccnc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000276583250 538933015 /nfs/dbraw/zinc/93/30/15/538933015.db2.gz JQCNCAJCDNSBBH-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1cccnc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000276583250 538933016 /nfs/dbraw/zinc/93/30/16/538933016.db2.gz JQCNCAJCDNSBBH-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)no1 ZINC000282874378 178226820 /nfs/dbraw/zinc/22/68/20/178226820.db2.gz VJLKVRBEWGVHLH-HTRCEHHLSA-N 1 2 238.209 1.557 20 0 BDADLO Cc1cc([C@@H](C)NCc2c[nH+]cn2C)no1 ZINC000309723864 178228594 /nfs/dbraw/zinc/22/85/94/178228594.db2.gz XDEYCIZJJUZPLK-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)no1 ZINC000281058569 178232371 /nfs/dbraw/zinc/23/23/71/178232371.db2.gz RPDZQDXDQKEMAU-ZJUUUORDSA-N 1 2 237.303 1.302 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000279802013 538936218 /nfs/dbraw/zinc/93/62/18/538936218.db2.gz HACVGCFGKOLFQI-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000279802013 538936220 /nfs/dbraw/zinc/93/62/20/538936220.db2.gz HACVGCFGKOLFQI-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000076344782 398236400 /nfs/dbraw/zinc/23/64/00/398236400.db2.gz KXKDZAJJIZJVJO-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000076344782 398236401 /nfs/dbraw/zinc/23/64/01/398236401.db2.gz KXKDZAJJIZJVJO-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO Cc1cc([C@H](C)NCc2[nH+]ccn2C)nn1C ZINC000337394847 178251798 /nfs/dbraw/zinc/25/17/98/178251798.db2.gz MVROWPWJOIBNAR-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nccn2C)nn1C ZINC000337394847 178251800 /nfs/dbraw/zinc/25/18/00/178251800.db2.gz MVROWPWJOIBNAR-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cnn(C)c2C)no1 ZINC000279708017 178252492 /nfs/dbraw/zinc/25/24/92/178252492.db2.gz XLNYENDBJKAPJL-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1nc(N(C)[C@@H](CO)COC(C)C)cc[nH+]1 ZINC000432856465 398239063 /nfs/dbraw/zinc/23/90/63/398239063.db2.gz XBANLDLHKCKLBQ-NSHDSACASA-N 1 2 239.319 1.007 20 0 BDADLO CC1=CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000281254529 538939048 /nfs/dbraw/zinc/93/90/48/538939048.db2.gz QLBYIANUIHJYMO-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO CC1=CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000281254529 538939050 /nfs/dbraw/zinc/93/90/50/538939050.db2.gz QLBYIANUIHJYMO-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000576464280 365602381 /nfs/dbraw/zinc/60/23/81/365602381.db2.gz UIDGKAXAKSPXTD-UHFFFAOYSA-N 1 2 247.342 1.902 20 0 BDADLO CCC(=O)CCC[N@H+]1CCc2nc(C)ncc2C1 ZINC000576464280 365602384 /nfs/dbraw/zinc/60/23/84/365602384.db2.gz UIDGKAXAKSPXTD-UHFFFAOYSA-N 1 2 247.342 1.902 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@H]2CCCS2)C1 ZINC000576476958 365606165 /nfs/dbraw/zinc/60/61/65/365606165.db2.gz PPCYFEOJUMFGDO-SNVBAGLBSA-N 1 2 242.388 1.340 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@@H]2CCCS2)C1 ZINC000576476956 365606510 /nfs/dbraw/zinc/60/65/10/365606510.db2.gz PPCYFEOJUMFGDO-JTQLQIEISA-N 1 2 242.388 1.340 20 0 BDADLO Cc1nc(NCCC[C@@H](C)CO)cc[nH+]1 ZINC000230146825 136227780 /nfs/dbraw/zinc/22/77/80/136227780.db2.gz YSWWWFIRJJPCGL-SECBINFHSA-N 1 2 209.293 1.606 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ncc[nH]1 ZINC000285490134 538941313 /nfs/dbraw/zinc/94/13/13/538941313.db2.gz AGKJKSLDRSWNPU-PSASIEDQSA-N 1 2 231.303 1.861 20 0 BDADLO CC(C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000576490895 365610077 /nfs/dbraw/zinc/61/00/77/365610077.db2.gz PYVSIJSGOQYRIR-UHFFFAOYSA-N 1 2 249.358 1.857 20 0 BDADLO COC1([C@@H](C)[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000580540906 365637909 /nfs/dbraw/zinc/63/79/09/365637909.db2.gz GRRCNNLPWQQFJK-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc[nH]1 ZINC000576528881 365619463 /nfs/dbraw/zinc/61/94/63/365619463.db2.gz MIBYVQHDPIUXHO-SNVBAGLBSA-N 1 2 246.314 1.575 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc[nH]1 ZINC000576528881 365619468 /nfs/dbraw/zinc/61/94/68/365619468.db2.gz MIBYVQHDPIUXHO-SNVBAGLBSA-N 1 2 246.314 1.575 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)C(=O)NC(C)(C)C ZINC000285987291 538942300 /nfs/dbraw/zinc/94/23/00/538942300.db2.gz HYONSBUZODMGNQ-DTWKUNHWSA-N 1 2 238.335 1.364 20 0 BDADLO CCc1ccsc1C(=O)NCc1c[nH+]cn1C ZINC000291173327 538947688 /nfs/dbraw/zinc/94/76/88/538947688.db2.gz JDFBPJWTCRCPMA-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO Cc1nscc1C(=O)NCc1c[nH+]cn1C ZINC000291322168 538947710 /nfs/dbraw/zinc/94/77/10/538947710.db2.gz UUTMLZWORNRHLK-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CCCCCC(=O)NCc1c[nH+]cn1C ZINC000290950507 538946923 /nfs/dbraw/zinc/94/69/23/538946923.db2.gz BCUPCGUWMSPDTC-UHFFFAOYSA-N 1 2 209.293 1.617 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)Cn1cc[nH+]c1 ZINC000176121173 365672688 /nfs/dbraw/zinc/67/26/88/365672688.db2.gz VUKPNCGTKQWNRP-UHTWSYAYSA-N 1 2 247.342 1.682 20 0 BDADLO CCC(CC)NC(=O)NCc1c[nH+]cn1C ZINC000291210372 538947256 /nfs/dbraw/zinc/94/72/56/538947256.db2.gz VETILHROZPURID-UHFFFAOYSA-N 1 2 224.308 1.408 20 0 BDADLO Cc1coc(C)c1C(=O)NCc1c[nH+]cn1C ZINC000291131427 538947419 /nfs/dbraw/zinc/94/74/19/538947419.db2.gz FFZYGOGDGUOTCU-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)c(C)c1 ZINC000291423859 538948083 /nfs/dbraw/zinc/94/80/83/538948083.db2.gz KTTMMHGEPVEJNS-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1C(C)(C)C1(C)C ZINC000291478221 538948121 /nfs/dbraw/zinc/94/81/21/538948121.db2.gz PULQXWOFPAXXHZ-UHFFFAOYSA-N 1 2 235.331 1.719 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1cccs1 ZINC000291457347 538948144 /nfs/dbraw/zinc/94/81/44/538948144.db2.gz NSOVDJXLPKIULC-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO c1cc(OCCOC[C@H]2CCCO2)cc[nH+]1 ZINC000564519216 323006676 /nfs/dbraw/zinc/00/66/76/323006676.db2.gz DNTNKHATWVVHHI-GFCCVEGCSA-N 1 2 223.272 1.656 20 0 BDADLO CCc1cc(NCCc2scnc2C)nc[nH+]1 ZINC000391173652 398268302 /nfs/dbraw/zinc/26/83/02/398268302.db2.gz FUFGHSBTPZCTJM-UHFFFAOYSA-N 1 2 248.355 1.880 20 0 BDADLO CCCNC(=O)CC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000180187570 538957439 /nfs/dbraw/zinc/95/74/39/538957439.db2.gz WHXXBBPULOAICO-VIFPVBQESA-N 1 2 238.335 1.285 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000600154636 342692273 /nfs/dbraw/zinc/69/22/73/342692273.db2.gz FXBARACOSGZKGJ-NUGNTBJXSA-N 1 2 241.331 1.199 20 0 BDADLO COC(=O)[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000600157376 342692731 /nfs/dbraw/zinc/69/27/31/342692731.db2.gz VWMPYMPCOFWHGZ-NSHDSACASA-N 1 2 237.303 1.068 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H](C)C2CC2)no1 ZINC000182388950 538963199 /nfs/dbraw/zinc/96/31/99/538963199.db2.gz ALGZJYLFJIMYJC-MRVPVSSYSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H](C)C2CC2)no1 ZINC000182388950 538963201 /nfs/dbraw/zinc/96/32/01/538963201.db2.gz ALGZJYLFJIMYJC-MRVPVSSYSA-N 1 2 225.292 1.446 20 0 BDADLO CCOC(=O)C[N@H+](CCc1cnccn1)C1CC1 ZINC000402599303 342731438 /nfs/dbraw/zinc/73/14/38/342731438.db2.gz JPLFRDPBJDYLBS-UHFFFAOYSA-N 1 2 249.314 1.047 20 0 BDADLO CCOC(=O)C[N@@H+](CCc1cnccn1)C1CC1 ZINC000402599303 342731440 /nfs/dbraw/zinc/73/14/40/342731440.db2.gz JPLFRDPBJDYLBS-UHFFFAOYSA-N 1 2 249.314 1.047 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC1CSC1 ZINC000616397280 342777416 /nfs/dbraw/zinc/77/74/16/342777416.db2.gz CUYXIVZVJXHNMG-UHFFFAOYSA-N 1 2 239.344 1.212 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC1CSC1 ZINC000616397280 342777417 /nfs/dbraw/zinc/77/74/17/342777417.db2.gz CUYXIVZVJXHNMG-UHFFFAOYSA-N 1 2 239.344 1.212 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCCC2)C[C@H]1CCCO1 ZINC000649490088 398287207 /nfs/dbraw/zinc/28/72/07/398287207.db2.gz SITOUKRKOJZIPF-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCCC2)C[C@H]1CCCO1 ZINC000649490088 398287208 /nfs/dbraw/zinc/28/72/08/398287208.db2.gz SITOUKRKOJZIPF-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO CCCN(CC(N)=O)c1cc(CC)[nH+]c(C)n1 ZINC000488760696 398284645 /nfs/dbraw/zinc/28/46/45/398284645.db2.gz MTYBZTGWEAZVFY-UHFFFAOYSA-N 1 2 236.319 1.049 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH+]1CC(C)(O)C1 ZINC000639254086 398285808 /nfs/dbraw/zinc/28/58/08/398285808.db2.gz YSACLIHCRIKTPI-UHFFFAOYSA-N 1 2 237.347 1.112 20 0 BDADLO CC(C)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000007945199 342795260 /nfs/dbraw/zinc/79/52/60/342795260.db2.gz YRWDDZJDXCTLGP-UHFFFAOYSA-N 1 2 231.299 1.997 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H]2CCCn3nccc32)n1 ZINC000634582599 342798572 /nfs/dbraw/zinc/79/85/72/342798572.db2.gz WVOBMESNNDLAAK-WPRPVWTQSA-N 1 2 247.302 1.760 20 0 BDADLO CC(C)(C)c1nc(NCC2COC2)cc[nH+]1 ZINC000624677214 342817989 /nfs/dbraw/zinc/81/79/89/342817989.db2.gz JNKCPIYDEUWBND-UHFFFAOYSA-N 1 2 221.304 1.254 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624681765 342818852 /nfs/dbraw/zinc/81/88/52/342818852.db2.gz JODHXJBNLBVTGT-AOOOYVTPSA-N 1 2 246.314 1.054 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000624725647 342822672 /nfs/dbraw/zinc/82/26/72/342822672.db2.gz KDBFKKNAUPYXGV-XYPYZODXSA-N 1 2 248.330 1.888 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000624725647 342822674 /nfs/dbraw/zinc/82/26/74/342822674.db2.gz KDBFKKNAUPYXGV-XYPYZODXSA-N 1 2 248.330 1.888 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000335464471 398289663 /nfs/dbraw/zinc/28/96/63/398289663.db2.gz JTEULFLSWGIGHO-XXFAHNHDSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000335464471 398289665 /nfs/dbraw/zinc/28/96/65/398289665.db2.gz JTEULFLSWGIGHO-XXFAHNHDSA-N 1 2 241.360 1.061 20 0 BDADLO COCC[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649491915 398289892 /nfs/dbraw/zinc/28/98/92/398289892.db2.gz DZYMPZXNGMTOSO-UHFFFAOYSA-N 1 2 223.320 1.298 20 0 BDADLO COCC[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649491915 398289893 /nfs/dbraw/zinc/28/98/93/398289893.db2.gz DZYMPZXNGMTOSO-UHFFFAOYSA-N 1 2 223.320 1.298 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccsc1 ZINC000189872801 538985912 /nfs/dbraw/zinc/98/59/12/538985912.db2.gz RDDISXLABBJMHI-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccsc1 ZINC000189872801 538985913 /nfs/dbraw/zinc/98/59/13/538985913.db2.gz RDDISXLABBJMHI-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO CCO[C@@H]1C[C@](CO)([NH2+]CC(F)F)C1(C)C ZINC000189980889 538986337 /nfs/dbraw/zinc/98/63/37/538986337.db2.gz HZUZKEIMTVLBGJ-LDYMZIIASA-N 1 2 237.290 1.407 20 0 BDADLO Cc1cc[nH+]c(NCCN(C)CC(F)F)c1 ZINC000624764476 342827726 /nfs/dbraw/zinc/82/77/26/342827726.db2.gz WTUWDCIPVKHXLL-UHFFFAOYSA-N 1 2 229.274 1.999 20 0 BDADLO Cc1cc(N[C@H](CO)CC2CC2)nc[nH+]1 ZINC000379913800 538981589 /nfs/dbraw/zinc/98/15/89/538981589.db2.gz AMNCULSEJZAAIY-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO C/C=C\CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000624823427 342832599 /nfs/dbraw/zinc/83/25/99/342832599.db2.gz IYRUFFUDLUDOCG-ARJAWSKDSA-N 1 2 236.319 1.491 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ncccc2O)o1 ZINC000381537278 539003069 /nfs/dbraw/zinc/00/30/69/539003069.db2.gz GDJWLBSANPSUJI-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO Cc1cc(C)nc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000193626966 539006968 /nfs/dbraw/zinc/00/69/68/539006968.db2.gz HWFIOAZWXUVEFR-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1cc(C)nc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000193626966 539006969 /nfs/dbraw/zinc/00/69/69/539006969.db2.gz HWFIOAZWXUVEFR-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000193604026 539006992 /nfs/dbraw/zinc/00/69/92/539006992.db2.gz DLHHJDUIHFAUMK-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000193604026 539006993 /nfs/dbraw/zinc/00/69/93/539006993.db2.gz DLHHJDUIHFAUMK-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO OCC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000602604891 349627434 /nfs/dbraw/zinc/62/74/34/349627434.db2.gz FDBNODLFPXKMCP-NSHDSACASA-N 1 2 247.342 1.953 20 0 BDADLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000390583104 539026309 /nfs/dbraw/zinc/02/63/09/539026309.db2.gz XKOSIAINNXCHLJ-SKDRFNHKSA-N 1 2 221.304 1.247 20 0 BDADLO CCc1cc(N2CC[C@@H](O)[C@H]2C)nc(C)[nH+]1 ZINC000649502118 398297513 /nfs/dbraw/zinc/29/75/13/398297513.db2.gz IDOHODIGPNRKON-LDYMZIIASA-N 1 2 221.304 1.307 20 0 BDADLO CCc1nc(N2CC[C@@H](O)[C@H]2C)cc(C)[nH+]1 ZINC000649502294 398297596 /nfs/dbraw/zinc/29/75/96/398297596.db2.gz ZLKKJJRXOCFPBD-NXEZZACHSA-N 1 2 221.304 1.307 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCCO1 ZINC000389667313 539016935 /nfs/dbraw/zinc/01/69/35/539016935.db2.gz QDQJUHOYYAOXMB-KOLCDFICSA-N 1 2 209.293 1.457 20 0 BDADLO COc1cc[nH+]cc1NCc1cn[nH]c1 ZINC000389969110 539019389 /nfs/dbraw/zinc/01/93/89/539019389.db2.gz YUOQDMSHPXWDHM-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO CCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640752046 361993601 /nfs/dbraw/zinc/99/36/01/361993601.db2.gz AGVPOODDMLWJAL-UHFFFAOYSA-N 1 2 219.292 1.713 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](OCC)C1 ZINC000042423246 361997197 /nfs/dbraw/zinc/99/71/97/361997197.db2.gz XRRXYIGMJZACLL-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000042423246 361997200 /nfs/dbraw/zinc/99/72/00/361997200.db2.gz XRRXYIGMJZACLL-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CC2(C)C)cc[nH+]1 ZINC000348842729 136242231 /nfs/dbraw/zinc/24/22/31/136242231.db2.gz AOTOWBXBCRTZCI-JTQLQIEISA-N 1 2 233.315 1.980 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)C[C@@H]1F ZINC000335637201 136242824 /nfs/dbraw/zinc/24/28/24/136242824.db2.gz XIPWANWIVYVZJL-KWQFWETISA-N 1 2 225.267 1.127 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000335646758 136244071 /nfs/dbraw/zinc/24/40/71/136244071.db2.gz MOKYFLIHYJIJIW-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000335646758 136244072 /nfs/dbraw/zinc/24/40/72/136244072.db2.gz MOKYFLIHYJIJIW-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccn2)CCCO1 ZINC000639473239 398316503 /nfs/dbraw/zinc/31/65/03/398316503.db2.gz WXXSZUYPQZRAIZ-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccn2)CCCO1 ZINC000639473239 398316505 /nfs/dbraw/zinc/31/65/05/398316505.db2.gz WXXSZUYPQZRAIZ-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CCO[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000628035181 342886881 /nfs/dbraw/zinc/88/68/81/342886881.db2.gz AIXAQFIDIFGPHW-NSHDSACASA-N 1 2 237.303 1.183 20 0 BDADLO CCO[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000628035181 342886882 /nfs/dbraw/zinc/88/68/82/342886882.db2.gz AIXAQFIDIFGPHW-NSHDSACASA-N 1 2 237.303 1.183 20 0 BDADLO CC[C@H](CSC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493367106 529410098 /nfs/dbraw/zinc/41/00/98/529410098.db2.gz JMZRCTUDJFUDJF-XNPJLODASA-N 1 2 239.344 1.681 20 0 BDADLO CCO[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000628034916 342887754 /nfs/dbraw/zinc/88/77/54/342887754.db2.gz ODATWNJEWDIZDR-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO CCO[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000628034916 342887756 /nfs/dbraw/zinc/88/77/56/342887756.db2.gz ODATWNJEWDIZDR-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO COC1(C)CN(Cc2c[nH+]c3ccc(C)cn23)C1 ZINC000336085057 398315265 /nfs/dbraw/zinc/31/52/65/398315265.db2.gz OLEQXJVYCRANIP-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000584011384 342902705 /nfs/dbraw/zinc/90/27/05/342902705.db2.gz NLPQWKFFLMXLID-BBBLOLIVSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000584011384 342902706 /nfs/dbraw/zinc/90/27/06/342902706.db2.gz NLPQWKFFLMXLID-BBBLOLIVSA-N 1 2 233.315 1.744 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000045784598 342923317 /nfs/dbraw/zinc/92/33/17/342923317.db2.gz AQWUNKGXARAPBR-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000045784598 342923318 /nfs/dbraw/zinc/92/33/18/342923318.db2.gz AQWUNKGXARAPBR-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493584873 529413997 /nfs/dbraw/zinc/41/39/97/529413997.db2.gz HLBQBFHVDAZZEI-ZHLVKLTDSA-N 1 2 249.314 1.449 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC(C)C)C(C)C ZINC000234551219 342929859 /nfs/dbraw/zinc/92/98/59/342929859.db2.gz GICYKZOALIAGNA-NSHDSACASA-N 1 2 231.336 1.446 20 0 BDADLO COC[C@@H]([NH2+][C@H]1CCC12CCC2)C(=O)OC ZINC000602632134 349649075 /nfs/dbraw/zinc/64/90/75/349649075.db2.gz DVRNPQPVCIXTIA-ZJUUUORDSA-N 1 2 227.304 1.097 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](C)S(=O)(=O)CC1 ZINC000336271392 398327288 /nfs/dbraw/zinc/32/72/88/398327288.db2.gz QIARYUYTUNLLDX-VXGBXAGGSA-N 1 2 247.404 1.930 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](C)S(=O)(=O)CC1 ZINC000336271392 398327289 /nfs/dbraw/zinc/32/72/89/398327289.db2.gz QIARYUYTUNLLDX-VXGBXAGGSA-N 1 2 247.404 1.930 20 0 BDADLO CC[C@@H](F)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000308568937 346883390 /nfs/dbraw/zinc/88/33/90/346883390.db2.gz BLCDJWBYFYILSN-HTRCEHHLSA-N 1 2 201.245 1.777 20 0 BDADLO O=c1c2c([nH]n1Cc1cccc(F)c1)CC[NH2+]C2 ZINC000634589762 342937004 /nfs/dbraw/zinc/93/70/04/342937004.db2.gz HZTURXVVWKXLQK-LLVKDONJSA-N 1 2 247.273 1.133 20 0 BDADLO C[C@@H]1CCc2[nH]n(CC[NH+](C)C)c(=O)c2C1 ZINC000634589667 342936590 /nfs/dbraw/zinc/93/65/90/342936590.db2.gz DVIQCZNXAKSWES-ZJUUUORDSA-N 1 2 223.320 1.182 20 0 BDADLO Cc1c[nH]c(CN2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000628176941 398337422 /nfs/dbraw/zinc/33/74/22/398337422.db2.gz DGRBDICVEPVTOV-AOOOYVTPSA-N 1 2 207.277 1.081 20 0 BDADLO c1cc(C[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000122403196 398337783 /nfs/dbraw/zinc/33/77/83/398337783.db2.gz XTIIVRHLYAUWRF-UHFFFAOYSA-N 1 2 243.310 1.997 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000334475373 398337964 /nfs/dbraw/zinc/33/79/64/398337964.db2.gz MCEAHIAJBCDJLQ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@](C)(F)C2)n1 ZINC000334475373 398337965 /nfs/dbraw/zinc/33/79/65/398337965.db2.gz MCEAHIAJBCDJLQ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCCCCC2 ZINC000634590007 342937103 /nfs/dbraw/zinc/93/71/03/342937103.db2.gz OFNBBIGCJJCMTA-NSHDSACASA-N 1 2 237.347 1.717 20 0 BDADLO O=c1c2c([nH]n1CC[NH+]1CCCCC1)CCC2 ZINC000634592234 342946027 /nfs/dbraw/zinc/94/60/27/342946027.db2.gz CLCCMBJSJMPPLF-LLVKDONJSA-N 1 2 235.331 1.471 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC[C@@H]1CCO1 ZINC000602718213 349686575 /nfs/dbraw/zinc/68/65/75/349686575.db2.gz QWPOOOYHRVCFSP-ZYHUDNBSSA-N 1 2 247.310 1.436 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000351801410 136253358 /nfs/dbraw/zinc/25/33/58/136253358.db2.gz CLCHXNNYJFZTFN-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H](C)OC ZINC000602701436 349697037 /nfs/dbraw/zinc/69/70/37/349697037.db2.gz SKRUWKKNKLQMTQ-MXWKQRLJSA-N 1 2 245.363 1.977 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC1(CC)CC1 ZINC000493348199 529552429 /nfs/dbraw/zinc/55/24/29/529552429.db2.gz DJNFAARJSVGXIH-AATRIKPKSA-N 1 2 233.315 1.975 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CCCOC1 ZINC000493355383 529555850 /nfs/dbraw/zinc/55/58/50/529555850.db2.gz QELQSIDDHHEONQ-QRGHLMKCSA-N 1 2 249.314 1.211 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CC1(C)C ZINC000493432876 529555870 /nfs/dbraw/zinc/55/58/70/529555870.db2.gz LMCNFADGSJTZCU-PORFMDCZSA-N 1 2 233.315 1.831 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCOCC1 ZINC000492492525 529557007 /nfs/dbraw/zinc/55/70/07/529557007.db2.gz UAHHKKJIJVJUPX-PLNGDYQASA-N 1 2 249.314 1.165 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000493091038 529560431 /nfs/dbraw/zinc/56/04/31/529560431.db2.gz KXXUENLQAJCXBI-PESLLZFTSA-N 1 2 245.326 1.831 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000602797495 349738684 /nfs/dbraw/zinc/73/86/84/349738684.db2.gz JPUCTLDAJIBPCJ-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2cccc(F)c2C1 ZINC000602797495 349738688 /nfs/dbraw/zinc/73/86/88/349738688.db2.gz JPUCTLDAJIBPCJ-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO CCC[C@H]1C[N@H+](CCN(C#N)CC)CCO1 ZINC000602798308 349740009 /nfs/dbraw/zinc/74/00/09/349740009.db2.gz YTNSMNGLUISKEA-LBPRGKRZSA-N 1 2 225.336 1.290 20 0 BDADLO CCC[C@H]1C[N@@H+](CCN(C#N)CC)CCO1 ZINC000602798308 349740012 /nfs/dbraw/zinc/74/00/12/349740012.db2.gz YTNSMNGLUISKEA-LBPRGKRZSA-N 1 2 225.336 1.290 20 0 BDADLO COCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000162486328 349729753 /nfs/dbraw/zinc/72/97/53/349729753.db2.gz BLCVBYMGJJLUFL-GFCCVEGCSA-N 1 2 224.304 1.045 20 0 BDADLO COCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000162486328 349729754 /nfs/dbraw/zinc/72/97/54/349729754.db2.gz BLCVBYMGJJLUFL-GFCCVEGCSA-N 1 2 224.304 1.045 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccc(C)o1 ZINC000602757590 349732187 /nfs/dbraw/zinc/73/21/87/349732187.db2.gz BLNAORYUBRYEEH-UHFFFAOYSA-N 1 2 221.304 1.823 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccc(C)o1 ZINC000602757590 349732191 /nfs/dbraw/zinc/73/21/91/349732191.db2.gz BLNAORYUBRYEEH-UHFFFAOYSA-N 1 2 221.304 1.823 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2ncsc2C1 ZINC000602818727 349759400 /nfs/dbraw/zinc/75/94/00/349759400.db2.gz WPUZCFNPHPTRKY-UHFFFAOYSA-N 1 2 236.344 1.304 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2ncsc2C1 ZINC000602818727 349759404 /nfs/dbraw/zinc/75/94/04/349759404.db2.gz WPUZCFNPHPTRKY-UHFFFAOYSA-N 1 2 236.344 1.304 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000602820643 349760640 /nfs/dbraw/zinc/76/06/40/349760640.db2.gz IGMBDTYHMXUZRB-LBPRGKRZSA-N 1 2 239.363 1.536 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000602820643 349760644 /nfs/dbraw/zinc/76/06/44/349760644.db2.gz IGMBDTYHMXUZRB-LBPRGKRZSA-N 1 2 239.363 1.536 20 0 BDADLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(C)=O ZINC000602817495 349759045 /nfs/dbraw/zinc/75/90/45/349759045.db2.gz IHYWQHRKWGUQNC-ZDUSSCGKSA-N 1 2 241.331 1.773 20 0 BDADLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(C)=O ZINC000602817495 349759046 /nfs/dbraw/zinc/75/90/46/349759046.db2.gz IHYWQHRKWGUQNC-ZDUSSCGKSA-N 1 2 241.331 1.773 20 0 BDADLO COCCc1noc(C[N@H+](C)CC[C@@H](C)F)n1 ZINC000351877700 136261886 /nfs/dbraw/zinc/26/18/86/136261886.db2.gz CCAVBGMBYFDNDN-SECBINFHSA-N 1 2 245.298 1.438 20 0 BDADLO COCCc1noc(C[N@@H+](C)CC[C@@H](C)F)n1 ZINC000351877700 136261887 /nfs/dbraw/zinc/26/18/87/136261887.db2.gz CCAVBGMBYFDNDN-SECBINFHSA-N 1 2 245.298 1.438 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccncc1 ZINC000169798423 343044324 /nfs/dbraw/zinc/04/43/24/343044324.db2.gz LOZISZJPOFWJFW-NSHDSACASA-N 1 2 242.282 1.023 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H](C)C1 ZINC000634633539 343045378 /nfs/dbraw/zinc/04/53/78/343045378.db2.gz ZNPGWCNOQDQQSL-SNVBAGLBSA-N 1 2 234.303 1.518 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CCSC2)o1 ZINC000162660467 349788762 /nfs/dbraw/zinc/78/87/62/349788762.db2.gz OWJPQUHXRJLGEO-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CCSC2)o1 ZINC000162660467 349788764 /nfs/dbraw/zinc/78/87/64/349788764.db2.gz OWJPQUHXRJLGEO-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CC1(C)CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000602881133 349790996 /nfs/dbraw/zinc/79/09/96/349790996.db2.gz YNKBSMAPIWGLHJ-UHFFFAOYSA-N 1 2 237.303 1.157 20 0 BDADLO CC1(C)CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000602881133 349790998 /nfs/dbraw/zinc/79/09/98/349790998.db2.gz YNKBSMAPIWGLHJ-UHFFFAOYSA-N 1 2 237.303 1.157 20 0 BDADLO C[C@@](O)(C[NH+]1CC2(C1)CCCO2)C(F)(F)F ZINC000634650588 343061102 /nfs/dbraw/zinc/06/11/02/343061102.db2.gz PTZGDDDBXKQGCY-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO Cc1cc(N(C)C2CCOCC2)nc[nH+]1 ZINC000220598388 343068256 /nfs/dbraw/zinc/06/82/56/343068256.db2.gz RBFHOKQHIMVIQQ-UHFFFAOYSA-N 1 2 207.277 1.400 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(C3CCC3)no2)C1 ZINC000634666346 343089698 /nfs/dbraw/zinc/08/96/98/343089698.db2.gz VERAFNJIPZEGTF-SECBINFHSA-N 1 2 223.276 1.340 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(C3CCC3)no2)C1 ZINC000634666346 343089701 /nfs/dbraw/zinc/08/97/01/343089701.db2.gz VERAFNJIPZEGTF-SECBINFHSA-N 1 2 223.276 1.340 20 0 BDADLO CC[C@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493677040 529684709 /nfs/dbraw/zinc/68/47/09/529684709.db2.gz BJXSWBQMKBJGSF-UDIARPCQSA-N 1 2 207.277 1.680 20 0 BDADLO CC[C@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493677038 529684847 /nfs/dbraw/zinc/68/48/47/529684847.db2.gz BJXSWBQMKBJGSF-CYNONHLPSA-N 1 2 207.277 1.680 20 0 BDADLO CC[C@@H](C)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000640941863 362083998 /nfs/dbraw/zinc/08/39/98/362083998.db2.gz HWJCMFWVVACOBL-LLVKDONJSA-N 1 2 240.351 1.402 20 0 BDADLO CC[C@@H](C)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000640941863 362084000 /nfs/dbraw/zinc/08/40/00/362084000.db2.gz HWJCMFWVVACOBL-LLVKDONJSA-N 1 2 240.351 1.402 20 0 BDADLO C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)C(F)F ZINC000640998117 362110255 /nfs/dbraw/zinc/11/02/55/362110255.db2.gz ZMBBQQLYJDAUSS-RQJHMYQMSA-N 1 2 246.261 1.434 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccs1 ZINC000029594272 343144985 /nfs/dbraw/zinc/14/49/85/343144985.db2.gz KCFPKMCVOMCIQA-VIFPVBQESA-N 1 2 235.312 1.822 20 0 BDADLO COCCc1nc(C[N@H+](C)C(C)(C)C)no1 ZINC000576940391 365726077 /nfs/dbraw/zinc/72/60/77/365726077.db2.gz NLBSNDKLXGSDIA-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO COCCc1nc(C[N@@H+](C)C(C)(C)C)no1 ZINC000576940391 365726081 /nfs/dbraw/zinc/72/60/81/365726081.db2.gz NLBSNDKLXGSDIA-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO O=C([O-])c1c[nH+]ccc1NCCCn1cc[nH+]c1 ZINC000125935700 343168544 /nfs/dbraw/zinc/16/85/44/343168544.db2.gz GCERMJCEAMAZOQ-UHFFFAOYSA-N 1 2 246.270 1.479 20 0 BDADLO CSCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125393145 343173628 /nfs/dbraw/zinc/17/36/28/343173628.db2.gz VTRIMGOMOJIHAS-SSDOTTSWSA-N 1 2 213.306 1.340 20 0 BDADLO C[C@@H](NC(=O)Cc1ccccc1O)c1[nH]cc[nH+]1 ZINC000139751394 343197597 /nfs/dbraw/zinc/19/75/97/343197597.db2.gz HZOACIWARAZEAX-SECBINFHSA-N 1 2 245.282 1.535 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCOC1CCOCC1 ZINC000625274926 343214437 /nfs/dbraw/zinc/21/44/37/343214437.db2.gz GGKBBEIYYCTMMQ-NSHDSACASA-N 1 2 249.301 1.912 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCOC1CCOCC1 ZINC000625274926 343214439 /nfs/dbraw/zinc/21/44/39/343214439.db2.gz GGKBBEIYYCTMMQ-NSHDSACASA-N 1 2 249.301 1.912 20 0 BDADLO Cc1nsc(N[C@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000336767295 136276157 /nfs/dbraw/zinc/27/61/57/136276157.db2.gz SWSVIHIFCQCMKD-CBAPKCEASA-N 1 2 226.349 1.163 20 0 BDADLO Cc1nsc(N[C@H]2CCC[N@@H+](C)[C@H]2C)n1 ZINC000336767295 136276158 /nfs/dbraw/zinc/27/61/58/136276158.db2.gz SWSVIHIFCQCMKD-CBAPKCEASA-N 1 2 226.349 1.163 20 0 BDADLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C(F)F ZINC000641005249 362119212 /nfs/dbraw/zinc/11/92/12/362119212.db2.gz VVARNVCFOVOQGK-ZETCQYMHSA-N 1 2 244.245 1.062 20 0 BDADLO CN(C(=O)NCc1c[nH+]c[nH]1)C1CCCC1 ZINC000625299099 343226368 /nfs/dbraw/zinc/22/63/68/343226368.db2.gz FLKBFWVAMIDHBK-UHFFFAOYSA-N 1 2 222.292 1.494 20 0 BDADLO CN(C(=O)NCc1c[nH]c[nH+]1)C1CCCC1 ZINC000625299099 343226371 /nfs/dbraw/zinc/22/63/71/343226371.db2.gz FLKBFWVAMIDHBK-UHFFFAOYSA-N 1 2 222.292 1.494 20 0 BDADLO O=C(CCC1CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428010498 259357353 /nfs/dbraw/zinc/35/73/53/259357353.db2.gz LSFYWASYXNSULK-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(F)F ZINC000641022258 362138074 /nfs/dbraw/zinc/13/80/74/362138074.db2.gz AGHYOOOBMIYDBL-JGVFFNPUSA-N 1 2 246.261 1.224 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000034066794 343263811 /nfs/dbraw/zinc/26/38/11/343263811.db2.gz UVBPYTLVFSEPQF-VIFPVBQESA-N 1 2 219.284 1.305 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCC(C)(C)C ZINC000121603563 343268464 /nfs/dbraw/zinc/26/84/64/343268464.db2.gz UNKRVEHDTCCPMD-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO C[C@@H](NCc1nccs1)c1[nH+]ccn1C ZINC000070007977 343296747 /nfs/dbraw/zinc/29/67/47/343296747.db2.gz POQBHVONBWRPHA-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CCC(=O)c1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641051295 362165108 /nfs/dbraw/zinc/16/51/08/362165108.db2.gz JYTYELUHYYGLTP-UHFFFAOYSA-N 1 2 230.271 1.623 20 0 BDADLO CCO[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000625372055 343359448 /nfs/dbraw/zinc/35/94/48/343359448.db2.gz WWJPBMJJPBHGLU-LLVKDONJSA-N 1 2 237.303 1.183 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000037988979 343364320 /nfs/dbraw/zinc/36/43/20/343364320.db2.gz HGFAUBHWWOZCRP-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cc(F)ccc1F ZINC000037996974 343364568 /nfs/dbraw/zinc/36/45/68/343364568.db2.gz GFNWMVFFJBVGDJ-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000335644316 136303979 /nfs/dbraw/zinc/30/39/79/136303979.db2.gz SQIRHAWHWRROLL-LLVKDONJSA-N 1 2 227.283 1.279 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@H](CF)C1 ZINC000335644316 136303980 /nfs/dbraw/zinc/30/39/80/136303980.db2.gz SQIRHAWHWRROLL-LLVKDONJSA-N 1 2 227.283 1.279 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]c[nH+]c2C)s1 ZINC000266979488 178520559 /nfs/dbraw/zinc/52/05/59/178520559.db2.gz PERANYRVRUBWOP-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000335660684 136314743 /nfs/dbraw/zinc/31/47/43/136314743.db2.gz FLSCUGXEEYEBLO-UHFFFAOYSA-N 1 2 235.331 1.721 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000335660684 136314744 /nfs/dbraw/zinc/31/47/44/136314744.db2.gz FLSCUGXEEYEBLO-UHFFFAOYSA-N 1 2 235.331 1.721 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1F)c1cnn(C)c1 ZINC000090720488 343410057 /nfs/dbraw/zinc/41/00/57/343410057.db2.gz UCMNRZVDSSWTTL-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CC[N@H+](CCOC)Cc1cn(C(C)(C)C)nn1 ZINC000349031670 136319712 /nfs/dbraw/zinc/31/97/12/136319712.db2.gz LMVIHKVQHGJEAS-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO CC[N@@H+](CCOC)Cc1cn(C(C)(C)C)nn1 ZINC000349031670 136319713 /nfs/dbraw/zinc/31/97/13/136319713.db2.gz LMVIHKVQHGJEAS-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]cc1C)[C@H]1CCOC1 ZINC000335679129 136320148 /nfs/dbraw/zinc/32/01/48/136320148.db2.gz FBYFTCAYNAGVGZ-NSHDSACASA-N 1 2 249.314 1.455 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)CF ZINC000349050711 136320915 /nfs/dbraw/zinc/32/09/15/136320915.db2.gz ULBYBESPMGPUIQ-SECBINFHSA-N 1 2 242.298 1.319 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616412589 343426539 /nfs/dbraw/zinc/42/65/39/343426539.db2.gz BQEUFJSVXWAFKN-GZMMTYOYSA-N 1 2 231.299 1.183 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616412589 343426542 /nfs/dbraw/zinc/42/65/42/343426542.db2.gz BQEUFJSVXWAFKN-GZMMTYOYSA-N 1 2 231.299 1.183 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCOCC12CCC2 ZINC000335731406 136349063 /nfs/dbraw/zinc/34/90/63/136349063.db2.gz CHWJYWZOQYVTMX-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccn(C)c1 ZINC000335732328 136349154 /nfs/dbraw/zinc/34/91/54/136349154.db2.gz OVESIWAPPUTQET-UHFFFAOYSA-N 1 2 229.283 1.657 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349203903 136331394 /nfs/dbraw/zinc/33/13/94/136331394.db2.gz TUOVRZRISUQIHU-ZJUUUORDSA-N 1 2 239.319 1.582 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[S@@]1=O ZINC000335710460 136337667 /nfs/dbraw/zinc/33/76/67/136337667.db2.gz LTUGXGNMRSXJRE-ABAIWWIYSA-N 1 2 223.341 1.639 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[S@@]1=O ZINC000335710460 136337668 /nfs/dbraw/zinc/33/76/68/136337668.db2.gz LTUGXGNMRSXJRE-ABAIWWIYSA-N 1 2 223.341 1.639 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cs1 ZINC000335715111 136338640 /nfs/dbraw/zinc/33/86/40/136338640.db2.gz USTPGAYYYXUWBZ-JTQLQIEISA-N 1 2 238.356 1.662 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](O)C3(CC3)C2)cs1 ZINC000335715111 136338641 /nfs/dbraw/zinc/33/86/41/136338641.db2.gz USTPGAYYYXUWBZ-JTQLQIEISA-N 1 2 238.356 1.662 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cnccn1 ZINC000349310533 136340922 /nfs/dbraw/zinc/34/09/22/136340922.db2.gz HLQMIFYYDWTQEE-JOYOIKCWSA-N 1 2 249.339 1.922 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+]C1(C2CC2)CC1 ZINC000379930356 365742684 /nfs/dbraw/zinc/74/26/84/365742684.db2.gz OCGBZDSBZBJJIB-SNVBAGLBSA-N 1 2 211.305 1.860 20 0 BDADLO COCC[N@H+](C)Cc1cn(C[C@H]2C[C@@H]2C)nn1 ZINC000641081915 362199117 /nfs/dbraw/zinc/19/91/17/362199117.db2.gz NOGZWMPTGPXACZ-WDEREUQCSA-N 1 2 238.335 1.012 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C[C@H]2C[C@@H]2C)nn1 ZINC000641081915 362199122 /nfs/dbraw/zinc/19/91/22/362199122.db2.gz NOGZWMPTGPXACZ-WDEREUQCSA-N 1 2 238.335 1.012 20 0 BDADLO Cc1cnc(C[NH2+]CC(=O)NC2CCCC2)o1 ZINC000231651273 488219084 /nfs/dbraw/zinc/21/90/84/488219084.db2.gz YTUHHPZTAZGSIW-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO Cn1c(N2CCOCC2)[nH+]c2cccc(F)c21 ZINC000335879240 136356744 /nfs/dbraw/zinc/35/67/44/136356744.db2.gz FNKVOKCTPJTZCZ-UHFFFAOYSA-N 1 2 235.262 1.549 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000351003632 136366701 /nfs/dbraw/zinc/36/67/01/136366701.db2.gz UKZDUUUMPVXOAA-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000351003632 136366702 /nfs/dbraw/zinc/36/67/02/136366702.db2.gz UKZDUUUMPVXOAA-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO CC1(C2(NC(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000581439024 346941034 /nfs/dbraw/zinc/94/10/34/346941034.db2.gz HRMWRZIEQULTBN-UHFFFAOYSA-N 1 2 236.359 1.777 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000351499516 136368858 /nfs/dbraw/zinc/36/88/58/136368858.db2.gz CMEFXIZMUDLNIL-WCBMZHEXSA-N 1 2 219.288 1.171 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000082680143 343459110 /nfs/dbraw/zinc/45/91/10/343459110.db2.gz MTASRXFTZUHNMW-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000082680143 343459113 /nfs/dbraw/zinc/45/91/13/343459113.db2.gz MTASRXFTZUHNMW-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)N1CCCCCC1 ZINC000085964204 488220401 /nfs/dbraw/zinc/22/04/01/488220401.db2.gz JDQUJNIBAVGECR-UHFFFAOYSA-N 1 2 222.292 1.495 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000310496305 343518625 /nfs/dbraw/zinc/51/86/25/343518625.db2.gz PTFYMQXAGHNKFC-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000310496305 343518627 /nfs/dbraw/zinc/51/86/27/343518627.db2.gz PTFYMQXAGHNKFC-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC=CC1 ZINC000616693130 343539164 /nfs/dbraw/zinc/53/91/64/343539164.db2.gz OLCSWCJAHZBERH-NSHDSACASA-N 1 2 245.326 1.670 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000619998022 343543878 /nfs/dbraw/zinc/54/38/78/343543878.db2.gz RNFMDKBRPQLJHH-GFCCVEGCSA-N 1 2 245.326 1.672 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccnc1 ZINC000047028556 343556660 /nfs/dbraw/zinc/55/66/60/343556660.db2.gz GJRAOEPJZJEFKO-SNVBAGLBSA-N 1 2 245.286 1.488 20 0 BDADLO CCOC1C[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC000307943088 259364379 /nfs/dbraw/zinc/36/43/79/259364379.db2.gz REZJKOWUOLYMPL-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO COCC[N@H+](CCO)Cc1cscc1Cl ZINC000678234559 488222476 /nfs/dbraw/zinc/22/24/76/488222476.db2.gz LCVVVNKDCLSGMM-UHFFFAOYSA-N 1 2 249.763 1.842 20 0 BDADLO COCC[N@@H+](CCO)Cc1cscc1Cl ZINC000678234559 488222481 /nfs/dbraw/zinc/22/24/81/488222481.db2.gz LCVVVNKDCLSGMM-UHFFFAOYSA-N 1 2 249.763 1.842 20 0 BDADLO CCc1cc(NC[C@@H](O)C2CC2)nc[nH+]1 ZINC000070917395 343568901 /nfs/dbraw/zinc/56/89/01/343568901.db2.gz NBDKXHKUEUTPPC-SNVBAGLBSA-N 1 2 207.277 1.222 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1CC1 ZINC000047976170 343568941 /nfs/dbraw/zinc/56/89/41/343568941.db2.gz DFIYLSALXUYRAD-UHFFFAOYSA-N 1 2 205.261 1.496 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccn1 ZINC000580566671 365772507 /nfs/dbraw/zinc/77/25/07/365772507.db2.gz APBARIWFRZEEMA-VIFPVBQESA-N 1 2 230.271 1.622 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccn1 ZINC000580566671 365772512 /nfs/dbraw/zinc/77/25/12/365772512.db2.gz APBARIWFRZEEMA-VIFPVBQESA-N 1 2 230.271 1.622 20 0 BDADLO CC(C)[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000620041279 343591845 /nfs/dbraw/zinc/59/18/45/343591845.db2.gz JGAXPINBIDTVKZ-CYBMUJFWSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000620041279 343591847 /nfs/dbraw/zinc/59/18/47/343591847.db2.gz JGAXPINBIDTVKZ-CYBMUJFWSA-N 1 2 235.331 1.893 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2nccnc2n1 ZINC000083421618 343600038 /nfs/dbraw/zinc/60/00/38/343600038.db2.gz NUELBZVZWTWCOK-UHFFFAOYSA-N 1 2 240.270 1.370 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)COc1ccccc1 ZINC000622745549 343606102 /nfs/dbraw/zinc/60/61/02/343606102.db2.gz OFMYNJSKGGGGIH-UHFFFAOYSA-N 1 2 245.282 1.447 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)COc1ccccc1 ZINC000622745549 343606103 /nfs/dbraw/zinc/60/61/03/343606103.db2.gz OFMYNJSKGGGGIH-UHFFFAOYSA-N 1 2 245.282 1.447 20 0 BDADLO COC(=O)[C@@]1(C)C[N@H+](CC(F)F)C[C@@H]1C ZINC000602930727 349822718 /nfs/dbraw/zinc/82/27/18/349822718.db2.gz GTIVVZMQTAHACT-XVKPBYJWSA-N 1 2 221.247 1.383 20 0 BDADLO COC(=O)[C@@]1(C)C[N@@H+](CC(F)F)C[C@@H]1C ZINC000602930727 349822721 /nfs/dbraw/zinc/82/27/21/349822721.db2.gz GTIVVZMQTAHACT-XVKPBYJWSA-N 1 2 221.247 1.383 20 0 BDADLO CC[C@H]1C[N@H+](C)CCN1Cc1ncccc1O ZINC000556953181 343627886 /nfs/dbraw/zinc/62/78/86/343627886.db2.gz FUWMJYIYVMOHJQ-NSHDSACASA-N 1 2 235.331 1.313 20 0 BDADLO CC[C@H]1C[N@@H+](C)CCN1Cc1ncccc1O ZINC000556953181 343627889 /nfs/dbraw/zinc/62/78/89/343627889.db2.gz FUWMJYIYVMOHJQ-NSHDSACASA-N 1 2 235.331 1.313 20 0 BDADLO CC1(C)C[N@H+](CC2(F)CC2)[C@@H]2COC[C@H]2O1 ZINC000652065621 537799050 /nfs/dbraw/zinc/79/90/50/537799050.db2.gz FVHVIEYNVAFTIZ-NXEZZACHSA-N 1 2 229.295 1.367 20 0 BDADLO CC1(C)C[N@@H+](CC2(F)CC2)[C@@H]2COC[C@H]2O1 ZINC000652065621 537799056 /nfs/dbraw/zinc/79/90/56/537799056.db2.gz FVHVIEYNVAFTIZ-NXEZZACHSA-N 1 2 229.295 1.367 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000125706434 343651884 /nfs/dbraw/zinc/65/18/84/343651884.db2.gz NXGBURMKTZTLAU-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000125706434 343651885 /nfs/dbraw/zinc/65/18/85/343651885.db2.gz NXGBURMKTZTLAU-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)C[C@H]1CCCO1 ZINC000125730216 343653589 /nfs/dbraw/zinc/65/35/89/343653589.db2.gz QOMNROYNCGCKGS-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)C[C@H]1CCCO1 ZINC000125730216 343653593 /nfs/dbraw/zinc/65/35/93/343653593.db2.gz QOMNROYNCGCKGS-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc(N)[nH+]1 ZINC000631301351 343663894 /nfs/dbraw/zinc/66/38/94/343663894.db2.gz QCIXWEORLFMQAS-HRDYMLBCSA-N 1 2 219.292 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000631301351 343663895 /nfs/dbraw/zinc/66/38/95/343663895.db2.gz QCIXWEORLFMQAS-HRDYMLBCSA-N 1 2 219.292 1.193 20 0 BDADLO Cc1cc(CNC(=O)COCC2CC2)cc(C)[nH+]1 ZINC000421573735 192364400 /nfs/dbraw/zinc/36/44/00/192364400.db2.gz BWJWWOCDRILCKO-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCC(F)(F)F ZINC000088094334 343705523 /nfs/dbraw/zinc/70/55/23/343705523.db2.gz CYQUBKLDIQVQAD-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCC(F)(F)F ZINC000088094334 343705526 /nfs/dbraw/zinc/70/55/26/343705526.db2.gz CYQUBKLDIQVQAD-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]CCOC)no1 ZINC000309049245 346957120 /nfs/dbraw/zinc/95/71/20/346957120.db2.gz PUTDKKCUJXCSLG-UHFFFAOYSA-N 1 2 213.281 1.103 20 0 BDADLO C[C@](O)(CN1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000625434579 343735137 /nfs/dbraw/zinc/73/51/37/343735137.db2.gz BRFQJVSMRIPPOK-VIFPVBQESA-N 1 2 249.236 1.081 20 0 BDADLO Cc1nc(CN2CCc3[nH+]c[nH]c3C2)c(C)o1 ZINC000625434630 343736110 /nfs/dbraw/zinc/73/61/10/343736110.db2.gz DFMUCAXRABFGGQ-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO COC[C@H](CCNc1[nH+]cccc1OC)OC ZINC000624385902 343744800 /nfs/dbraw/zinc/74/48/00/343744800.db2.gz SVWPXARFOKFTFH-JTQLQIEISA-N 1 2 240.303 1.554 20 0 BDADLO CC(C)OCC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000584219251 343773293 /nfs/dbraw/zinc/77/32/93/343773293.db2.gz UPLKHKSDEGUXQQ-UHFFFAOYSA-N 1 2 239.319 1.203 20 0 BDADLO O=C(C[C@H]1C=CCC1)NCCNc1cccc[nH+]1 ZINC000063706298 343753979 /nfs/dbraw/zinc/75/39/79/343753979.db2.gz UWHYUWBVGLAWFJ-LBPRGKRZSA-N 1 2 245.326 1.966 20 0 BDADLO NC(=O)CCSCc1cn2ccccc2[nH+]1 ZINC000603048252 349861319 /nfs/dbraw/zinc/86/13/19/349861319.db2.gz FUDDONKZIZGXGZ-UHFFFAOYSA-N 1 2 235.312 1.443 20 0 BDADLO CN(CCCCCO)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493129797 529881149 /nfs/dbraw/zinc/88/11/49/529881149.db2.gz MRZNZEWLGFLRMK-AATRIKPKSA-N 1 2 237.303 1.044 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000625484110 343881760 /nfs/dbraw/zinc/88/17/60/343881760.db2.gz VTYQKHQYTGMAKC-VIFPVBQESA-N 1 2 241.291 1.022 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C1CC1 ZINC000625484110 343881761 /nfs/dbraw/zinc/88/17/61/343881761.db2.gz VTYQKHQYTGMAKC-VIFPVBQESA-N 1 2 241.291 1.022 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)no1 ZINC000188022869 347006047 /nfs/dbraw/zinc/00/60/47/347006047.db2.gz OQTGMAHCPVDWLC-CABZTGNLSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)no1 ZINC000188022869 347006050 /nfs/dbraw/zinc/00/60/50/347006050.db2.gz OQTGMAHCPVDWLC-CABZTGNLSA-N 1 2 239.319 1.361 20 0 BDADLO CSCCNc1cc[nH+]c2ccncc12 ZINC000393609037 343900583 /nfs/dbraw/zinc/90/05/83/343900583.db2.gz SMJTUPBOIRFBEY-UHFFFAOYSA-N 1 2 219.313 1.827 20 0 BDADLO CCO[C@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000625534703 343920103 /nfs/dbraw/zinc/92/01/03/343920103.db2.gz GDZHZJFLZHGTPQ-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000625534703 343920104 /nfs/dbraw/zinc/92/01/04/343920104.db2.gz GDZHZJFLZHGTPQ-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CC(C)N1CCC[C@@H]([N@@H+]2CCOC[C@H]2C)C1=O ZINC000335886303 344043700 /nfs/dbraw/zinc/04/37/00/344043700.db2.gz DCJKDQCFASCGTP-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@@H]([N@H+]2CCOC[C@H]2C)C1=O ZINC000335886303 344043704 /nfs/dbraw/zinc/04/37/04/344043704.db2.gz DCJKDQCFASCGTP-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)O[C@@H](C)C2)[nH+]c1C ZINC000628117907 343967732 /nfs/dbraw/zinc/96/77/32/343967732.db2.gz ZQFGABBUDNEBJU-DTORHVGOSA-N 1 2 223.320 1.636 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1Cc1[nH]cc(C)[nH+]1 ZINC000628119582 343968243 /nfs/dbraw/zinc/96/82/43/343968243.db2.gz AWGKEUMWHOGICH-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO COCCN(CCOC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628118633 343968875 /nfs/dbraw/zinc/96/88/75/343968875.db2.gz BFMWTZVCMGZEAI-UHFFFAOYSA-N 1 2 241.335 1.121 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CC2(C)COC2)n1 ZINC000625790719 344074504 /nfs/dbraw/zinc/07/45/04/344074504.db2.gz AWTIQVHKHIANEI-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CC2(C)COC2)n1 ZINC000625790719 344074506 /nfs/dbraw/zinc/07/45/06/344074506.db2.gz AWTIQVHKHIANEI-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO O=C1CCCN1CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000625725899 344057978 /nfs/dbraw/zinc/05/79/78/344057978.db2.gz GAENCBSJGSUFTG-UHFFFAOYSA-N 1 2 246.310 1.330 20 0 BDADLO O=C1CCCN1CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625725899 344057979 /nfs/dbraw/zinc/05/79/79/344057979.db2.gz GAENCBSJGSUFTG-UHFFFAOYSA-N 1 2 246.310 1.330 20 0 BDADLO C[C@H]1CCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000641244284 362321011 /nfs/dbraw/zinc/32/10/11/362321011.db2.gz YFAJMGGOEAJGQW-VIFPVBQESA-N 1 2 246.301 1.584 20 0 BDADLO Oc1ccc2c(c1)CN(Cc1c[nH+]c[nH]1)C2 ZINC000625727693 344058771 /nfs/dbraw/zinc/05/87/71/344058771.db2.gz IHVPEIMEKOFFGT-UHFFFAOYSA-N 1 2 215.256 1.631 20 0 BDADLO Oc1ccc2c(c1)CN(Cc1c[nH]c[nH+]1)C2 ZINC000625727693 344058772 /nfs/dbraw/zinc/05/87/72/344058772.db2.gz IHVPEIMEKOFFGT-UHFFFAOYSA-N 1 2 215.256 1.631 20 0 BDADLO Cn1cc(C[N@@H+]2Cc3ccc(O)cc3C2)cn1 ZINC000625727062 344058791 /nfs/dbraw/zinc/05/87/91/344058791.db2.gz RBBNQSPYGBUTCC-UHFFFAOYSA-N 1 2 229.283 1.642 20 0 BDADLO Cn1cc(C[N@H+]2Cc3ccc(O)cc3C2)cn1 ZINC000625727062 344058792 /nfs/dbraw/zinc/05/87/92/344058792.db2.gz RBBNQSPYGBUTCC-UHFFFAOYSA-N 1 2 229.283 1.642 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCC12CC2 ZINC000625741320 344060571 /nfs/dbraw/zinc/06/05/71/344060571.db2.gz BTAYUVOKVJMVLC-JTQLQIEISA-N 1 2 219.288 1.606 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCC12CC2 ZINC000625741320 344060573 /nfs/dbraw/zinc/06/05/73/344060573.db2.gz BTAYUVOKVJMVLC-JTQLQIEISA-N 1 2 219.288 1.606 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC=CCC1 ZINC000077592709 344075970 /nfs/dbraw/zinc/07/59/70/344075970.db2.gz UKIAUQGKPKWJNL-JTQLQIEISA-N 1 2 234.303 1.328 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ncc[nH]1 ZINC000336738955 537838405 /nfs/dbraw/zinc/83/84/05/537838405.db2.gz KSNDEJKQFHJKGU-NKWVEPMBSA-N 1 2 237.225 1.374 20 0 BDADLO O=C1CCCN1CCCNc1cc[nH+]cc1F ZINC000641250559 362326099 /nfs/dbraw/zinc/32/60/99/362326099.db2.gz PYEOWFHDJBRWAS-UHFFFAOYSA-N 1 2 237.278 1.067 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1cc(C2CC2)ncn1 ZINC000641265942 362338763 /nfs/dbraw/zinc/33/87/63/362338763.db2.gz SGQHIVYSPXXLLL-UHFFFAOYSA-N 1 2 243.314 1.724 20 0 BDADLO Cc1n[nH]cc1CCCNc1cc(CO)cc[nH+]1 ZINC000641276453 362341409 /nfs/dbraw/zinc/34/14/09/362341409.db2.gz HMBRWHPUGFARAA-UHFFFAOYSA-N 1 2 246.314 1.072 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)c1nnc2n1CCC2 ZINC000641276356 362341528 /nfs/dbraw/zinc/34/15/28/362341528.db2.gz DESPGPLFVCFAPD-MRVPVSSYSA-N 1 2 247.277 1.353 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC1CCC1 ZINC000080006055 344122008 /nfs/dbraw/zinc/12/20/08/344122008.db2.gz OGGSJBXRRVTNHJ-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO c1nnc(N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000080130015 344124283 /nfs/dbraw/zinc/12/42/83/344124283.db2.gz NEOPBILVHWIHNP-UHFFFAOYSA-N 1 2 247.327 1.260 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2ncnn2C)c1 ZINC000080657994 344131957 /nfs/dbraw/zinc/13/19/57/344131957.db2.gz ZYGCUOSXFGXUGC-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2ncnn2C)c1 ZINC000080657994 344131958 /nfs/dbraw/zinc/13/19/58/344131958.db2.gz ZYGCUOSXFGXUGC-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CC1(C)C[C@H]([NH2+]Cc2ccn[nH]2)C(C)(C)O1 ZINC000086927269 344225813 /nfs/dbraw/zinc/22/58/13/344225813.db2.gz PHCYZCSADFBROO-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000588754236 344183649 /nfs/dbraw/zinc/18/36/49/344183649.db2.gz RUBHBXIPMWSRPC-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000588754236 344183651 /nfs/dbraw/zinc/18/36/51/344183651.db2.gz RUBHBXIPMWSRPC-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO CCCCn1nnnc1C[NH+](CC)CC ZINC000588770672 344186991 /nfs/dbraw/zinc/18/69/91/344186991.db2.gz TWCMDDATKXFTDH-UHFFFAOYSA-N 1 2 211.313 1.315 20 0 BDADLO COCC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641327556 362365394 /nfs/dbraw/zinc/36/53/94/362365394.db2.gz AILVOMWBYMZXPB-SECBINFHSA-N 1 2 210.277 1.411 20 0 BDADLO CC(C)[N@H+](C)Cc1nc([C@@H]2CCCO2)no1 ZINC000408227633 344264325 /nfs/dbraw/zinc/26/43/25/344264325.db2.gz YEGCRCQXDVRZMG-VIFPVBQESA-N 1 2 225.292 1.761 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc([C@@H]2CCCO2)no1 ZINC000408227633 344264326 /nfs/dbraw/zinc/26/43/26/344264326.db2.gz YEGCRCQXDVRZMG-VIFPVBQESA-N 1 2 225.292 1.761 20 0 BDADLO Cc1ccsc1C[N@@H+]1CCn2nncc2C1 ZINC000573458647 344267138 /nfs/dbraw/zinc/26/71/38/344267138.db2.gz BUZHUAHGSZQUPM-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO Cc1ccsc1C[N@H+]1CCn2nncc2C1 ZINC000573458647 344267139 /nfs/dbraw/zinc/26/71/39/344267139.db2.gz BUZHUAHGSZQUPM-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO Cc1noc(C)c1CCNc1cc[nH+]cc1F ZINC000641362779 362376373 /nfs/dbraw/zinc/37/63/73/362376373.db2.gz MFTSOGLRHBSSDS-UHFFFAOYSA-N 1 2 235.262 1.902 20 0 BDADLO OCc1cc[nH+]c(NCCOCC2CC2)c1 ZINC000641365387 362377349 /nfs/dbraw/zinc/37/73/49/362377349.db2.gz XCPWAKXCQJVUIQ-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO CCOC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC000672536619 488258285 /nfs/dbraw/zinc/25/82/85/488258285.db2.gz POJSBNHNODYFME-JTQLQIEISA-N 1 2 238.335 1.377 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000620592291 344325357 /nfs/dbraw/zinc/32/53/57/344325357.db2.gz OEYALYQYAXYHAY-VGMNWLOBSA-N 1 2 207.277 1.253 20 0 BDADLO NC(=O)C1(CNc2cc(CO)cc[nH+]2)CCCC1 ZINC000641379471 362383087 /nfs/dbraw/zinc/38/30/87/362383087.db2.gz QHNXBPAIGYCSSA-UHFFFAOYSA-N 1 2 249.314 1.032 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OCC ZINC000600616485 344337644 /nfs/dbraw/zinc/33/76/44/344337644.db2.gz XDDGADXTHHVMGV-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@](O)(CNc1cc[nH+]cc1F)C1CC1 ZINC000641371657 362379890 /nfs/dbraw/zinc/37/98/90/362379890.db2.gz KPQYJIQNZQGMEQ-NSHDSACASA-N 1 2 210.252 1.216 20 0 BDADLO Cn1cc[nH+]c1CNc1nc2ccccn2n1 ZINC000094601931 537843603 /nfs/dbraw/zinc/84/36/03/537843603.db2.gz LHQSCUXJTKUVHP-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO CC(C)[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000641371211 362380092 /nfs/dbraw/zinc/38/00/92/362380092.db2.gz QJPOUVOOEBZIRF-NSHDSACASA-N 1 2 212.268 1.462 20 0 BDADLO C[C@@H](NC(=O)c1ccn(C)c1)c1[nH+]ccn1C ZINC000620602797 344353067 /nfs/dbraw/zinc/35/30/67/344353067.db2.gz DZCWPOYBCLFASM-SECBINFHSA-N 1 2 232.287 1.250 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1[nH+]ccn1C ZINC000620603413 344354099 /nfs/dbraw/zinc/35/40/99/344354099.db2.gz HOCHBLAMAGEUDI-OUJBWJOFSA-N 1 2 249.314 1.024 20 0 BDADLO OCc1cc[nH+]c(NCCCc2nccs2)c1 ZINC000641375463 362380737 /nfs/dbraw/zinc/38/07/37/362380737.db2.gz XDVXZKOWYYFQKL-UHFFFAOYSA-N 1 2 249.339 1.497 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC1(F)F)c1[nH+]ccn1C ZINC000620607198 344358172 /nfs/dbraw/zinc/35/81/72/344358172.db2.gz FBGUHSUNMPOOOB-RQJHMYQMSA-N 1 2 229.230 1.253 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)s1 ZINC000093049897 344308000 /nfs/dbraw/zinc/30/80/00/344308000.db2.gz GVHLBHBPVHGXTF-LLVKDONJSA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)s1 ZINC000093049897 344308002 /nfs/dbraw/zinc/30/80/02/344308002.db2.gz GVHLBHBPVHGXTF-LLVKDONJSA-N 1 2 238.356 1.767 20 0 BDADLO CN(Cc1cnccn1)c1cc(CO)cc[nH+]1 ZINC000641383033 362385873 /nfs/dbraw/zinc/38/58/73/362385873.db2.gz UDJMIJYSGZQAJY-UHFFFAOYSA-N 1 2 230.271 1.000 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc(C2CC2)[nH+]cn1 ZINC000603308976 349910258 /nfs/dbraw/zinc/91/02/58/349910258.db2.gz OAXPTKZLBYVVPU-SECBINFHSA-N 1 2 249.314 1.387 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC=CCC1 ZINC000641401979 362395891 /nfs/dbraw/zinc/39/58/91/362395891.db2.gz DPEHXMIRCDBZAV-JTQLQIEISA-N 1 2 246.314 1.239 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC=CCC1 ZINC000641401979 362395895 /nfs/dbraw/zinc/39/58/95/362395895.db2.gz DPEHXMIRCDBZAV-JTQLQIEISA-N 1 2 246.314 1.239 20 0 BDADLO CSCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590379742 347053398 /nfs/dbraw/zinc/05/33/98/347053398.db2.gz YTXQKDCKVWUOBU-UHFFFAOYSA-N 1 2 239.344 1.438 20 0 BDADLO CSCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590379742 347053403 /nfs/dbraw/zinc/05/34/03/347053403.db2.gz YTXQKDCKVWUOBU-UHFFFAOYSA-N 1 2 239.344 1.438 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CCc3ccccc3O2)n1 ZINC000573665156 344477087 /nfs/dbraw/zinc/47/70/87/344477087.db2.gz RFZUBQRHMXMXFZ-NSHDSACASA-N 1 2 245.282 1.855 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000381162048 344481338 /nfs/dbraw/zinc/48/13/38/344481338.db2.gz RPNCRCKDNLTSDP-RKDXNWHRSA-N 1 2 233.258 1.715 20 0 BDADLO CCc1nc(C[NH2+][C@@](C)(CO)C(C)C)no1 ZINC000309981787 344487526 /nfs/dbraw/zinc/48/75/26/344487526.db2.gz WJULUEBJNNLVKA-NSHDSACASA-N 1 2 227.308 1.129 20 0 BDADLO CCc1cc(NC[C@H](C)CCO)nc[nH+]1 ZINC000085132192 344501641 /nfs/dbraw/zinc/50/16/41/344501641.db2.gz RLJNYIDTBRAWMJ-SECBINFHSA-N 1 2 209.293 1.469 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CC1CCC1)C(=O)OC ZINC000381474414 344510603 /nfs/dbraw/zinc/51/06/03/344510603.db2.gz QACPIPOEDBAPGN-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000043628701 344529091 /nfs/dbraw/zinc/52/90/91/344529091.db2.gz FBXNJAXUNPHJPS-LLVKDONJSA-N 1 2 221.300 1.988 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000043628701 344529093 /nfs/dbraw/zinc/52/90/93/344529093.db2.gz FBXNJAXUNPHJPS-LLVKDONJSA-N 1 2 221.300 1.988 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000043628561 344529192 /nfs/dbraw/zinc/52/91/92/344529192.db2.gz QOPMVNSDGOVHOF-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043628561 344529194 /nfs/dbraw/zinc/52/91/94/344529194.db2.gz QOPMVNSDGOVHOF-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1csc(C)n1 ZINC000044609412 344542492 /nfs/dbraw/zinc/54/24/92/344542492.db2.gz VCVLKAFXYOBRSG-UHFFFAOYSA-N 1 2 228.317 1.446 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1csc(C)n1 ZINC000044609412 344542493 /nfs/dbraw/zinc/54/24/93/344542493.db2.gz VCVLKAFXYOBRSG-UHFFFAOYSA-N 1 2 228.317 1.446 20 0 BDADLO CCOC(=O)C[N@H+](CC)[C@H]1CCCOC1 ZINC000220503001 344542623 /nfs/dbraw/zinc/54/26/23/344542623.db2.gz BQLRICJHEIQVDN-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](CC)[C@H]1CCCOC1 ZINC000220503001 344542626 /nfs/dbraw/zinc/54/26/26/344542626.db2.gz BQLRICJHEIQVDN-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]1C)CC2 ZINC000625915627 344563322 /nfs/dbraw/zinc/56/33/22/344563322.db2.gz VJGMWRFFDZXKAW-NWDGAFQWSA-N 1 2 247.342 1.765 20 0 BDADLO OC[C@@H](Nc1cc[nH+]cc1F)C1CCCCC1 ZINC000641407957 362400145 /nfs/dbraw/zinc/40/01/45/362400145.db2.gz GNPWZAKYZPGNOT-CYBMUJFWSA-N 1 2 238.306 1.996 20 0 BDADLO C[C@@]1(CNc2cc[nH+]cc2F)CCCC[C@H]1O ZINC000641445580 362423872 /nfs/dbraw/zinc/42/38/72/362423872.db2.gz VXMNVDCUTZAZGB-OLZOCXBDSA-N 1 2 238.306 1.996 20 0 BDADLO C[C@@H](O)C[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641459124 362431846 /nfs/dbraw/zinc/43/18/46/362431846.db2.gz SJUKXZFIUSEBDY-ZYHUDNBSSA-N 1 2 236.315 1.314 20 0 BDADLO C[C@H](O)C[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641459122 362432319 /nfs/dbraw/zinc/43/23/19/362432319.db2.gz SJUKXZFIUSEBDY-JQWIXIFHSA-N 1 2 236.315 1.314 20 0 BDADLO CC(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000047832795 344581917 /nfs/dbraw/zinc/58/19/17/344581917.db2.gz FQPWRTVWZNDTIP-UHFFFAOYSA-N 1 2 207.277 1.408 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)[C@H]1CCCCO1 ZINC000641482458 362450202 /nfs/dbraw/zinc/45/02/02/362450202.db2.gz PMIUWZPYXHTLOY-CMPLNLGQSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cc(CO)cc[nH+]1 ZINC000641486804 362453394 /nfs/dbraw/zinc/45/33/94/362453394.db2.gz CNFFPSGXWHLNBO-BDAKNGLRSA-N 1 2 210.277 1.145 20 0 BDADLO OCc1cc[nH+]c(NCC[C@H]2CCCCO2)c1 ZINC000641484933 362453844 /nfs/dbraw/zinc/45/38/44/362453844.db2.gz FAYNXKLAAUSZDO-GFCCVEGCSA-N 1 2 236.315 1.945 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641498020 362461785 /nfs/dbraw/zinc/46/17/85/362461785.db2.gz VCDGJVBPJWEFHR-QUCGXOGASA-N 1 2 222.288 1.313 20 0 BDADLO CCO[C@H]1COCC[C@H]1Nc1cc[nH+]cc1F ZINC000641510589 362470282 /nfs/dbraw/zinc/47/02/82/362470282.db2.gz FBTLVXQCFAVRPU-NEPJUHHUSA-N 1 2 240.278 1.249 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@@H](C)[C@H](C)O1 ZINC000641521681 362478486 /nfs/dbraw/zinc/47/84/86/362478486.db2.gz LPFKGKYFMZENEU-VWYCJHECSA-N 1 2 236.315 1.576 20 0 BDADLO CCc1nsc(N[C@@H]2CCC[C@@H]2[NH+](C)C)n1 ZINC000348190160 344650058 /nfs/dbraw/zinc/65/00/58/344650058.db2.gz YSSQTOIQHAFHBF-BDAKNGLRSA-N 1 2 240.376 1.417 20 0 BDADLO FCC[C@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000626006262 344664367 /nfs/dbraw/zinc/66/43/67/344664367.db2.gz UTTYNRKCQBLUTN-NSHDSACASA-N 1 2 244.335 1.746 20 0 BDADLO FCC[C@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000626006262 344664369 /nfs/dbraw/zinc/66/43/69/344664369.db2.gz UTTYNRKCQBLUTN-NSHDSACASA-N 1 2 244.335 1.746 20 0 BDADLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC000626020426 344675354 /nfs/dbraw/zinc/67/53/54/344675354.db2.gz LBYMVAXRBAJNMZ-JTQLQIEISA-N 1 2 248.326 1.488 20 0 BDADLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC000626020426 344675358 /nfs/dbraw/zinc/67/53/58/344675358.db2.gz LBYMVAXRBAJNMZ-JTQLQIEISA-N 1 2 248.326 1.488 20 0 BDADLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)N(C)C)C2 ZINC000626020427 344675485 /nfs/dbraw/zinc/67/54/85/344675485.db2.gz LBYMVAXRBAJNMZ-SNVBAGLBSA-N 1 2 248.326 1.488 20 0 BDADLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC000626020427 344675489 /nfs/dbraw/zinc/67/54/89/344675489.db2.gz LBYMVAXRBAJNMZ-SNVBAGLBSA-N 1 2 248.326 1.488 20 0 BDADLO COc1cccc2c1C[N@H+](C[C@](C)(O)C(C)=O)C2 ZINC000626023958 344675944 /nfs/dbraw/zinc/67/59/44/344675944.db2.gz XBRBLTZDNFEWGH-AWEZNQCLSA-N 1 2 249.310 1.351 20 0 BDADLO COc1cccc2c1C[N@@H+](C[C@](C)(O)C(C)=O)C2 ZINC000626023958 344675946 /nfs/dbraw/zinc/67/59/46/344675946.db2.gz XBRBLTZDNFEWGH-AWEZNQCLSA-N 1 2 249.310 1.351 20 0 BDADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C12CC(C1)C2 ZINC000626025093 344676711 /nfs/dbraw/zinc/67/67/11/344676711.db2.gz IEBSNJGFMCJUSC-UHFFFAOYSA-N 1 2 245.326 1.916 20 0 BDADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C12CC(C1)C2 ZINC000626025093 344676712 /nfs/dbraw/zinc/67/67/12/344676712.db2.gz IEBSNJGFMCJUSC-UHFFFAOYSA-N 1 2 245.326 1.916 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CC=CC1)CC2 ZINC000626100182 344738372 /nfs/dbraw/zinc/73/83/72/344738372.db2.gz GKACIFMJEDXMAY-LLVKDONJSA-N 1 2 245.326 1.589 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000050047776 344717044 /nfs/dbraw/zinc/71/70/44/344717044.db2.gz SFRMTXJFRGBQGJ-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000050047776 344717048 /nfs/dbraw/zinc/71/70/48/344717048.db2.gz SFRMTXJFRGBQGJ-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO CCN(C(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000075682104 344784398 /nfs/dbraw/zinc/78/43/98/344784398.db2.gz FBIFROMMOBZZKL-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO COCc1nc(C[N@H+](C)CC[C@H](C)O)cs1 ZINC000075777536 344791652 /nfs/dbraw/zinc/79/16/52/344791652.db2.gz FKAGIPTWVUUPMN-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO COCc1nc(C[N@@H+](C)CC[C@H](C)O)cs1 ZINC000075777536 344791654 /nfs/dbraw/zinc/79/16/54/344791654.db2.gz FKAGIPTWVUUPMN-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOC(C)(C)C ZINC000076814118 344806777 /nfs/dbraw/zinc/80/67/77/344806777.db2.gz VQXDEMANOSUFHJ-OHUAYANFSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOC(C)(C)C ZINC000076814118 344806778 /nfs/dbraw/zinc/80/67/78/344806778.db2.gz VQXDEMANOSUFHJ-OHUAYANFSA-N 1 2 247.404 1.643 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628143544 344809374 /nfs/dbraw/zinc/80/93/74/344809374.db2.gz RCVLXQJZQBJCJN-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628143544 344809376 /nfs/dbraw/zinc/80/93/76/344809376.db2.gz RCVLXQJZQBJCJN-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1COCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628146758 344825986 /nfs/dbraw/zinc/82/59/86/344825986.db2.gz ZKARLVKMGLUTQT-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628155370 344847354 /nfs/dbraw/zinc/84/73/54/344847354.db2.gz XLVMSWKDGHDJOJ-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628155370 344847356 /nfs/dbraw/zinc/84/73/56/344847356.db2.gz XLVMSWKDGHDJOJ-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(C)c[nH]1 ZINC000628156325 344848686 /nfs/dbraw/zinc/84/86/86/344848686.db2.gz LDDJYPFHLVZKKN-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(C)c[nH]1 ZINC000628156325 344848687 /nfs/dbraw/zinc/84/86/87/344848687.db2.gz LDDJYPFHLVZKKN-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CC1(C(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000078343202 344849247 /nfs/dbraw/zinc/84/92/47/344849247.db2.gz MAPYYGCJDUBPMT-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CCCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000583375973 344851826 /nfs/dbraw/zinc/85/18/26/344851826.db2.gz FDKVBMHFMUOGEL-QMMMGPOBSA-N 1 2 213.306 1.059 20 0 BDADLO Cc1ncc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)o1 ZINC000628159421 344855062 /nfs/dbraw/zinc/85/50/62/344855062.db2.gz QFEAONJNDDIFOD-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ncc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)o1 ZINC000628159421 344855063 /nfs/dbraw/zinc/85/50/63/344855063.db2.gz QFEAONJNDDIFOD-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1[nH]c(CN2CCC[C@H]2c2ncon2)[nH+]c1C ZINC000628160965 344858178 /nfs/dbraw/zinc/85/81/78/344858178.db2.gz MZFKFGBRHWHZFT-JTQLQIEISA-N 1 2 247.302 1.747 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CCc2noc(C)n2)n1 ZINC000628161716 344859881 /nfs/dbraw/zinc/85/98/81/344859881.db2.gz OCCFHIDTGVJQSA-UHFFFAOYSA-N 1 2 235.291 1.084 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CCc2noc(C)n2)n1 ZINC000628161716 344859883 /nfs/dbraw/zinc/85/98/83/344859883.db2.gz OCCFHIDTGVJQSA-UHFFFAOYSA-N 1 2 235.291 1.084 20 0 BDADLO Cc1nc(N[C@H]2CCc3n[nH]cc3C2)cc[nH+]1 ZINC000408240622 344865728 /nfs/dbraw/zinc/86/57/28/344865728.db2.gz OOSRDNCIGCJCGK-JTQLQIEISA-N 1 2 229.287 1.478 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000037957105 344911871 /nfs/dbraw/zinc/91/18/71/344911871.db2.gz LRJBZDHABWBGSV-ZYHUDNBSSA-N 1 2 227.304 1.097 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnc(C)o2)cn1 ZINC000628176506 344904490 /nfs/dbraw/zinc/90/44/90/344904490.db2.gz MMBNMUZXXOWMLO-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnc(C)o2)cn1 ZINC000628176506 344904493 /nfs/dbraw/zinc/90/44/93/344904493.db2.gz MMBNMUZXXOWMLO-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@@H](C)O)[nH]c1C ZINC000628178673 344912655 /nfs/dbraw/zinc/91/26/55/344912655.db2.gz XTPDCZLPXDBLNX-MRVPVSSYSA-N 1 2 211.309 1.229 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@@H](C)O)[nH]c1C ZINC000628178673 344912657 /nfs/dbraw/zinc/91/26/57/344912657.db2.gz XTPDCZLPXDBLNX-MRVPVSSYSA-N 1 2 211.309 1.229 20 0 BDADLO Cc1[nH]c(CN(C)CC[C@@H](C)O)[nH+]c1C ZINC000628178673 344912660 /nfs/dbraw/zinc/91/26/60/344912660.db2.gz XTPDCZLPXDBLNX-MRVPVSSYSA-N 1 2 211.309 1.229 20 0 BDADLO Cc1[nH]c(CN2CCc3c[nH]nc3C2)[nH+]c1C ZINC000628182468 344926239 /nfs/dbraw/zinc/92/62/39/344926239.db2.gz VUWJWZSSTXRLOQ-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO O=C(N[C@H]1C=CCCC1)N1CCn2c[nH+]cc2C1 ZINC000583414500 344916983 /nfs/dbraw/zinc/91/69/83/344916983.db2.gz GZTJGKYODMOKMR-NSHDSACASA-N 1 2 246.314 1.517 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)on1 ZINC000583448833 344994721 /nfs/dbraw/zinc/99/47/21/344994721.db2.gz QQZMEYRLSNHECG-QPUJVOFHSA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)on1 ZINC000583448833 344994722 /nfs/dbraw/zinc/99/47/22/344994722.db2.gz QQZMEYRLSNHECG-QPUJVOFHSA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)on1 ZINC000583448831 344994771 /nfs/dbraw/zinc/99/47/71/344994771.db2.gz QQZMEYRLSNHECG-PELKAZGASA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)on1 ZINC000583448831 344994772 /nfs/dbraw/zinc/99/47/72/344994772.db2.gz QQZMEYRLSNHECG-PELKAZGASA-N 1 2 238.287 1.080 20 0 BDADLO CCc1nnc(SCCn2cc[nH+]c2)o1 ZINC000641560978 362501081 /nfs/dbraw/zinc/50/10/81/362501081.db2.gz HHNKHRRIWCFDAJ-UHFFFAOYSA-N 1 2 224.289 1.621 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000641560876 362501311 /nfs/dbraw/zinc/50/13/11/362501311.db2.gz IBGMJRSTOPTUJE-STQMWFEESA-N 1 2 248.326 1.722 20 0 BDADLO CC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000154765319 345048851 /nfs/dbraw/zinc/04/88/51/345048851.db2.gz OGMCGHKNNZFBMB-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO CCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079722822 345026007 /nfs/dbraw/zinc/02/60/07/345026007.db2.gz PCUZREUYGKAYNF-UHFFFAOYSA-N 1 2 207.277 1.520 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000235222719 537885625 /nfs/dbraw/zinc/88/56/25/537885625.db2.gz KIAJBIAAXAPWEQ-PHDIDXHHSA-N 1 2 230.699 1.284 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000235222719 537885632 /nfs/dbraw/zinc/88/56/32/537885632.db2.gz KIAJBIAAXAPWEQ-PHDIDXHHSA-N 1 2 230.699 1.284 20 0 BDADLO C[C@@H](O)[C@H](C)SCc1cn(C)c[nH+]1 ZINC000603322621 349922462 /nfs/dbraw/zinc/92/24/62/349922462.db2.gz WEZFESXQRNKENT-SFYZADRCSA-N 1 2 200.307 1.423 20 0 BDADLO c1csc(-c2n[nH]cc2C[NH+]2CCOCC2)c1 ZINC000154508268 345037561 /nfs/dbraw/zinc/03/75/61/345037561.db2.gz VSUBVCQNQVCCJY-UHFFFAOYSA-N 1 2 249.339 1.970 20 0 BDADLO CO[C@H]1COCC[C@H]1CNc1cc[nH+]cc1F ZINC000641617320 362549990 /nfs/dbraw/zinc/54/99/90/362549990.db2.gz FHCYMIHLKUDWPB-CABZTGNLSA-N 1 2 240.278 1.106 20 0 BDADLO OC[C@H]1CN(c2cc[nH+]cc2F)CCC1(F)F ZINC000641620133 362551913 /nfs/dbraw/zinc/55/19/13/362551913.db2.gz CWWXXBZCDNJCEW-MRVPVSSYSA-N 1 2 246.232 1.675 20 0 BDADLO CCCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641592125 362534238 /nfs/dbraw/zinc/53/42/38/362534238.db2.gz IHHWRZDQEKTACO-UHFFFAOYSA-N 1 2 248.392 1.142 20 0 BDADLO CCCCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641592125 362534242 /nfs/dbraw/zinc/53/42/42/362534242.db2.gz IHHWRZDQEKTACO-UHFFFAOYSA-N 1 2 248.392 1.142 20 0 BDADLO C[C@H]1OCC[C@@H]1SCc1cn(C)c[nH+]1 ZINC000603324906 349923298 /nfs/dbraw/zinc/92/32/98/349923298.db2.gz IZQZJLGUDLXARO-SCZZXKLOSA-N 1 2 212.318 1.831 20 0 BDADLO O[C@@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000641612808 362544000 /nfs/dbraw/zinc/54/40/00/362544000.db2.gz HNZFWXFRISHOFX-SECBINFHSA-N 1 2 210.252 1.572 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156093486 345122237 /nfs/dbraw/zinc/12/22/37/345122237.db2.gz UIGSOVHLPRMNBH-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156093486 345122239 /nfs/dbraw/zinc/12/22/39/345122239.db2.gz UIGSOVHLPRMNBH-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CO[C@@H]1CCCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641650891 362576071 /nfs/dbraw/zinc/57/60/71/362576071.db2.gz WUQSHCRHLLHXHE-VXGBXAGGSA-N 1 2 236.315 1.943 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000641649510 362577911 /nfs/dbraw/zinc/57/79/11/362577911.db2.gz HCADBTLKVPHXDN-MXWKQRLJSA-N 1 2 220.272 1.306 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]cc2F)c2ncnn21 ZINC000641656094 362579706 /nfs/dbraw/zinc/57/97/06/362579706.db2.gz CHLLJGPNOZEAAA-OIBJUYFYSA-N 1 2 233.250 1.352 20 0 BDADLO CCC(CC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155814246 345107009 /nfs/dbraw/zinc/10/70/09/345107009.db2.gz IHTPBWUMBKOATP-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1ccc(CCNc2ncncc2C)[nH+]c1 ZINC000641627542 362561966 /nfs/dbraw/zinc/56/19/66/362561966.db2.gz XUGYOXDUYRBJEQ-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CCOc1ncccc1C[NH2+]Cc1ccon1 ZINC000634952062 345128332 /nfs/dbraw/zinc/12/83/32/345128332.db2.gz OGSNMCOHHPAMPH-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO C[C@H]1CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000306258178 345139476 /nfs/dbraw/zinc/13/94/76/345139476.db2.gz RMCVOBLKFUHPRS-NTSWFWBYSA-N 1 2 212.684 1.923 20 0 BDADLO C[C@H]1CC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000306258178 345139478 /nfs/dbraw/zinc/13/94/78/345139478.db2.gz RMCVOBLKFUHPRS-NTSWFWBYSA-N 1 2 212.684 1.923 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000306258181 345139605 /nfs/dbraw/zinc/13/96/05/345139605.db2.gz RMCVOBLKFUHPRS-RITPCOANSA-N 1 2 212.684 1.923 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000306258181 345139606 /nfs/dbraw/zinc/13/96/06/345139606.db2.gz RMCVOBLKFUHPRS-RITPCOANSA-N 1 2 212.684 1.923 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156275135 345143357 /nfs/dbraw/zinc/14/33/57/345143357.db2.gz PFFXORCTJOBZQF-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156275135 345143358 /nfs/dbraw/zinc/14/33/58/345143358.db2.gz PFFXORCTJOBZQF-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CC(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635072564 345238472 /nfs/dbraw/zinc/23/84/72/345238472.db2.gz BBMTYDOIXIPHMZ-RKDXNWHRSA-N 1 2 207.277 1.285 20 0 BDADLO CC(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635072564 345238474 /nfs/dbraw/zinc/23/84/74/345238474.db2.gz BBMTYDOIXIPHMZ-RKDXNWHRSA-N 1 2 207.277 1.285 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCC[C@H]2C)[nH+]1 ZINC000635077584 345241521 /nfs/dbraw/zinc/24/15/21/345241521.db2.gz GUOMLRPYWDBFLJ-SNVBAGLBSA-N 1 2 235.331 1.916 20 0 BDADLO Fc1cccc(C[NH2+]Cc2cc[nH]n2)c1F ZINC000082522978 345315960 /nfs/dbraw/zinc/31/59/60/345315960.db2.gz QMCLXMVBBSPFDC-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635188386 345267816 /nfs/dbraw/zinc/26/78/16/345267816.db2.gz LNYWJUMBBJDYAB-FBIMIBRVSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635188386 345267819 /nfs/dbraw/zinc/26/78/19/345267819.db2.gz LNYWJUMBBJDYAB-FBIMIBRVSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000635244047 345281732 /nfs/dbraw/zinc/28/17/32/345281732.db2.gz MRFDWGDHKQTKNG-UKKRHICBSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)CO1 ZINC000635244047 345281735 /nfs/dbraw/zinc/28/17/35/345281735.db2.gz MRFDWGDHKQTKNG-UKKRHICBSA-N 1 2 249.314 1.149 20 0 BDADLO O=C(NCc1ccsc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635295035 345296898 /nfs/dbraw/zinc/29/68/98/345296898.db2.gz MDOCXQCJWWUJIH-NXEZZACHSA-N 1 2 247.323 1.891 20 0 BDADLO O=C(NCc1ccsc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635295035 345296902 /nfs/dbraw/zinc/29/69/02/345296902.db2.gz MDOCXQCJWWUJIH-NXEZZACHSA-N 1 2 247.323 1.891 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635514098 345407442 /nfs/dbraw/zinc/40/74/42/345407442.db2.gz ZMCDTKRYQRJVJO-RNFRBKRXSA-N 1 2 229.230 1.237 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635514098 345407445 /nfs/dbraw/zinc/40/74/45/345407445.db2.gz ZMCDTKRYQRJVJO-RNFRBKRXSA-N 1 2 229.230 1.237 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccoc2C)c[nH+]1 ZINC000600967837 345419080 /nfs/dbraw/zinc/41/90/80/345419080.db2.gz ZQWIRPIRXLNKHN-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO NC(=O)C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000080681704 345425548 /nfs/dbraw/zinc/42/55/48/345425548.db2.gz SITOFYOYYNEBKW-JTQLQIEISA-N 1 2 219.288 1.173 20 0 BDADLO CC(C)(C)N1C[C@@H](Nc2cccc[nH+]2)CC1=O ZINC000080690986 345435068 /nfs/dbraw/zinc/43/50/68/345435068.db2.gz LLCJPQDATOJJAT-JTQLQIEISA-N 1 2 233.315 1.893 20 0 BDADLO OCc1cc[nH+]c(NCC[C@@H]2CCCOC2)c1 ZINC000641676156 362596595 /nfs/dbraw/zinc/59/65/95/362596595.db2.gz LQDYJBPFMJGKIQ-NSHDSACASA-N 1 2 236.315 1.224 20 0 BDADLO O=C(CC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000082268516 345499080 /nfs/dbraw/zinc/49/90/80/345499080.db2.gz BWIMVXBIXBWHBB-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO Cc1nc(N2CC([C@@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000641660111 362586409 /nfs/dbraw/zinc/58/64/09/362586409.db2.gz WMJDMHUPPJBDKL-SECBINFHSA-N 1 2 221.304 1.219 20 0 BDADLO Cc1cncnc1N[C@H](C)c1[nH+]ccn1C ZINC000641665327 362590043 /nfs/dbraw/zinc/59/00/43/362590043.db2.gz SBBFFLWTSLNIQB-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO Fc1cnc(SCC[NH+]2CCOCC2)nc1 ZINC000090069679 345564961 /nfs/dbraw/zinc/56/49/61/345564961.db2.gz LZHKBDKBFSRDAZ-UHFFFAOYSA-N 1 2 243.307 1.040 20 0 BDADLO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091623153 345600977 /nfs/dbraw/zinc/60/09/77/345600977.db2.gz FUSWSQRTAAOSFW-NXEZZACHSA-N 1 2 238.335 1.499 20 0 BDADLO Cc1cc(C2(C(=O)NCc3[nH]cc[nH+]3)CC2)on1 ZINC000635549530 345603575 /nfs/dbraw/zinc/60/35/75/345603575.db2.gz AMEMNIHNWVIETI-UHFFFAOYSA-N 1 2 246.270 1.054 20 0 BDADLO c1cnn([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000092967596 345649636 /nfs/dbraw/zinc/64/96/36/345649636.db2.gz VGJPJCONVQVQQS-GFCCVEGCSA-N 1 2 231.303 1.443 20 0 BDADLO c1cnn([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000092967596 345649639 /nfs/dbraw/zinc/64/96/39/345649639.db2.gz VGJPJCONVQVQQS-GFCCVEGCSA-N 1 2 231.303 1.443 20 0 BDADLO CCOCC[N@H+](C)Cc1occc1C(=O)OC ZINC000093317177 345651581 /nfs/dbraw/zinc/65/15/81/345651581.db2.gz FTXQOWAGTLXKEL-UHFFFAOYSA-N 1 2 241.287 1.535 20 0 BDADLO CCOCC[N@@H+](C)Cc1occc1C(=O)OC ZINC000093317177 345651585 /nfs/dbraw/zinc/65/15/85/345651585.db2.gz FTXQOWAGTLXKEL-UHFFFAOYSA-N 1 2 241.287 1.535 20 0 BDADLO CC[C@]1(O)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641683518 362603460 /nfs/dbraw/zinc/60/34/60/362603460.db2.gz ZQWWAPULWWDERE-ZDUSSCGKSA-N 1 2 236.315 1.315 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2CC2(C)C)[nH+]1 ZINC000635554313 345681237 /nfs/dbraw/zinc/68/12/37/345681237.db2.gz OLSGCJJETXCYHR-VIFPVBQESA-N 1 2 235.331 1.677 20 0 BDADLO CCCCn1cc[nH+]c1CN1CCOCC1 ZINC000641724097 362639509 /nfs/dbraw/zinc/63/95/09/362639509.db2.gz CHCLYENWGIFQJU-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CC[C@@H](C)Cn1cc[nH+]c1CN1CCOCC1 ZINC000641724068 362639686 /nfs/dbraw/zinc/63/96/86/362639686.db2.gz BKCJPHLVOLAAIT-GFCCVEGCSA-N 1 2 237.347 1.761 20 0 BDADLO C[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000142402925 345705377 /nfs/dbraw/zinc/70/53/77/345705377.db2.gz VAXDMEYQAUULIT-LLVKDONJSA-N 1 2 207.273 1.299 20 0 BDADLO CSCC[N@H+](C)CC(=O)Nc1nccs1 ZINC000138255057 345761562 /nfs/dbraw/zinc/76/15/62/345761562.db2.gz FVPGLFRUJLPZKK-UHFFFAOYSA-N 1 2 245.373 1.376 20 0 BDADLO CSCC[N@@H+](C)CC(=O)Nc1nccs1 ZINC000138255057 345761565 /nfs/dbraw/zinc/76/15/65/345761565.db2.gz FVPGLFRUJLPZKK-UHFFFAOYSA-N 1 2 245.373 1.376 20 0 BDADLO C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000140963414 345826254 /nfs/dbraw/zinc/82/62/54/345826254.db2.gz MGWREEHNONWCFI-ZJUUUORDSA-N 1 2 237.303 1.546 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000588963554 345835527 /nfs/dbraw/zinc/83/55/27/345835527.db2.gz WHDNMHRGBUSPRR-NXEZZACHSA-N 1 2 245.363 1.571 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCCC2CC2)[nH+]1 ZINC000635581418 345878787 /nfs/dbraw/zinc/87/87/87/345878787.db2.gz AQEPOWIPIUADPV-UHFFFAOYSA-N 1 2 235.331 1.821 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H](C)C[C@H]2C)[nH+]1 ZINC000635595085 345881537 /nfs/dbraw/zinc/88/15/37/345881537.db2.gz CHEZPSHUONLIDD-VHSXEESVSA-N 1 2 235.331 1.772 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H](C)C(C)C)[nH+]1 ZINC000635593649 345885857 /nfs/dbraw/zinc/88/58/57/345885857.db2.gz CQXAMPFOVVCPSS-JTQLQIEISA-N 1 2 237.347 1.923 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635649850 345927081 /nfs/dbraw/zinc/92/70/81/345927081.db2.gz UBJKROYMJMFEKI-LNFKQOIKSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635649850 345927087 /nfs/dbraw/zinc/92/70/87/345927087.db2.gz UBJKROYMJMFEKI-LNFKQOIKSA-N 1 2 233.315 1.770 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H](C)[C@@H]2C)[nH+]1 ZINC000635650384 345928761 /nfs/dbraw/zinc/92/87/61/345928761.db2.gz XQPVNIFHFHKGTB-UWVGGRQHSA-N 1 2 235.331 1.772 20 0 BDADLO Nc1cc(N2Cc3ccccc3C2)[nH+]cn1 ZINC000087826644 345940377 /nfs/dbraw/zinc/94/03/77/345940377.db2.gz QEXUBFCRRDEJRQ-UHFFFAOYSA-N 1 2 212.256 1.579 20 0 BDADLO CNc1cc(NCc2ccncc2)nc[nH+]1 ZINC000087808424 345941849 /nfs/dbraw/zinc/94/18/49/345941849.db2.gz DVVVKMUKAOYZIW-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO CNc1cc(NCc2ccncc2)[nH+]cn1 ZINC000087808424 345941850 /nfs/dbraw/zinc/94/18/50/345941850.db2.gz DVVVKMUKAOYZIW-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC3(CCC3)C2)[nH+]1 ZINC000635684228 345977228 /nfs/dbraw/zinc/97/72/28/345977228.db2.gz WSYFODYTXPQVMV-UHFFFAOYSA-N 1 2 247.342 1.917 20 0 BDADLO CC[C@H](SC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000563201586 323101451 /nfs/dbraw/zinc/10/14/51/323101451.db2.gz ZPLRTVUHOADWHX-QMMMGPOBSA-N 1 2 225.317 1.574 20 0 BDADLO CCOC(=O)CCSCc1c[nH+]cn1C ZINC000601096245 346023712 /nfs/dbraw/zinc/02/37/12/346023712.db2.gz RSFQSSGSQLQGQT-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO Cc1cc(N[C@@H]2CCN(CC(F)F)C2)nc[nH+]1 ZINC000419025997 192095573 /nfs/dbraw/zinc/09/55/73/192095573.db2.gz SVTJGYCKBZLSKM-SECBINFHSA-N 1 2 242.273 1.536 20 0 BDADLO c1nnnn1-c1ccc([NH2+]CCC2CC2)cc1 ZINC000438302600 537939056 /nfs/dbraw/zinc/93/90/56/537939056.db2.gz RINZUNKVXRAGKE-UHFFFAOYSA-N 1 2 229.287 1.874 20 0 BDADLO CC(C)C[C@@H](C(=O)N1CC(C)C1)n1cc[nH+]c1 ZINC000635858064 346086821 /nfs/dbraw/zinc/08/68/21/346086821.db2.gz DNGYRNUSOZMKPY-LBPRGKRZSA-N 1 2 235.331 1.949 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C(F)F)CC2)[nH+]1 ZINC000635900087 346106051 /nfs/dbraw/zinc/10/60/51/346106051.db2.gz WHLOEJSFZWNIGR-UHFFFAOYSA-N 1 2 243.257 1.429 20 0 BDADLO C[C@H]1OCC[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635792450 346064212 /nfs/dbraw/zinc/06/42/12/346064212.db2.gz HIYFQKPKXZWDHT-VWMGYNLJSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@H]1OCC[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635792450 346064215 /nfs/dbraw/zinc/06/42/15/346064215.db2.gz HIYFQKPKXZWDHT-VWMGYNLJSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635926440 346116983 /nfs/dbraw/zinc/11/69/83/346116983.db2.gz SSDHIPSCUXUJGX-KYXWUPHJSA-N 1 2 219.288 1.428 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635926440 346116987 /nfs/dbraw/zinc/11/69/87/346116987.db2.gz SSDHIPSCUXUJGX-KYXWUPHJSA-N 1 2 219.288 1.428 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635927319 346117832 /nfs/dbraw/zinc/11/78/32/346117832.db2.gz XSARXMOFARRTSL-IVZWLZJFSA-N 1 2 237.303 1.007 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635927319 346117833 /nfs/dbraw/zinc/11/78/33/346117833.db2.gz XSARXMOFARRTSL-IVZWLZJFSA-N 1 2 237.303 1.007 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C3CC3)C2)[nH+]1 ZINC000635964601 346135511 /nfs/dbraw/zinc/13/55/11/346135511.db2.gz PWYNDCAUOODSDF-UHFFFAOYSA-N 1 2 233.315 1.383 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H]2C(F)F)[nH+]1 ZINC000635985007 346138196 /nfs/dbraw/zinc/13/81/96/346138196.db2.gz DBJIYZWELJUOPQ-QMMMGPOBSA-N 1 2 243.257 1.381 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636018038 346157589 /nfs/dbraw/zinc/15/75/89/346157589.db2.gz GTYGLVWKVYWPPT-LNFKQOIKSA-N 1 2 233.315 1.674 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636018038 346157593 /nfs/dbraw/zinc/15/75/93/346157593.db2.gz GTYGLVWKVYWPPT-LNFKQOIKSA-N 1 2 233.315 1.674 20 0 BDADLO COCC1=CC[N@H+](Cc2nc(C)c[nH]2)CC1 ZINC000628240710 346203246 /nfs/dbraw/zinc/20/32/46/346203246.db2.gz PUOOHNWNABZOPS-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO COCC1=CC[N@@H+](Cc2nc(C)c[nH]2)CC1 ZINC000628240710 346203249 /nfs/dbraw/zinc/20/32/49/346203249.db2.gz PUOOHNWNABZOPS-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO OCC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000051895061 346204345 /nfs/dbraw/zinc/20/43/45/346204345.db2.gz UACBKSKIVKHQCW-NSHDSACASA-N 1 2 206.289 1.680 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cccnc2)[nH+]1 ZINC000628234947 346188666 /nfs/dbraw/zinc/18/86/66/346188666.db2.gz SXTLBQFJUXCFGE-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CCOCCN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628235220 346189201 /nfs/dbraw/zinc/18/92/01/346189201.db2.gz DHWWWYUGCCIFBD-UHFFFAOYSA-N 1 2 211.309 1.495 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628235220 346189203 /nfs/dbraw/zinc/18/92/03/346189203.db2.gz DHWWWYUGCCIFBD-UHFFFAOYSA-N 1 2 211.309 1.495 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628235220 346189204 /nfs/dbraw/zinc/18/92/04/346189204.db2.gz DHWWWYUGCCIFBD-UHFFFAOYSA-N 1 2 211.309 1.495 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2cnccn2)[nH]c1C ZINC000628235699 346189769 /nfs/dbraw/zinc/18/97/69/346189769.db2.gz ZEGDNZNDVNGPFF-UHFFFAOYSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2cnccn2)[nH]c1C ZINC000628235699 346189771 /nfs/dbraw/zinc/18/97/71/346189771.db2.gz ZEGDNZNDVNGPFF-UHFFFAOYSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1[nH]c(CN(C)CCc2cnccn2)[nH+]c1C ZINC000628235699 346189772 /nfs/dbraw/zinc/18/97/72/346189772.db2.gz ZEGDNZNDVNGPFF-UHFFFAOYSA-N 1 2 245.330 1.491 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccncc1 ZINC000631155485 346252926 /nfs/dbraw/zinc/25/29/26/346252926.db2.gz FQMKNLGHIUADPV-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO CCc1nc(N2C[C@H](O)C[C@H]2C2CC2)cc(C)[nH+]1 ZINC000631484432 346255090 /nfs/dbraw/zinc/25/50/90/346255090.db2.gz OSKBRTLXMGUULH-NEPJUHHUSA-N 1 2 247.342 1.697 20 0 BDADLO CC1(C)C[N@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000279740396 346259512 /nfs/dbraw/zinc/25/95/12/346259512.db2.gz KLCHRGMKSABPPF-MRVPVSSYSA-N 1 2 245.273 1.481 20 0 BDADLO CC1(C)C[N@@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000279740396 346259514 /nfs/dbraw/zinc/25/95/14/346259514.db2.gz KLCHRGMKSABPPF-MRVPVSSYSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1[nH]c(CN2CC[C@H](OC(F)F)C2)[nH+]c1C ZINC000628265068 346266346 /nfs/dbraw/zinc/26/63/46/346266346.db2.gz OGMMGUVXHBHDJN-VIFPVBQESA-N 1 2 245.273 1.840 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163017 346273957 /nfs/dbraw/zinc/27/39/57/346273957.db2.gz CRIJPBLHKHQNDM-MXQLGCADSA-N 1 2 236.319 1.689 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163017 346273959 /nfs/dbraw/zinc/27/39/59/346273959.db2.gz CRIJPBLHKHQNDM-MXQLGCADSA-N 1 2 236.319 1.689 20 0 BDADLO C/C=C\C[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000626163362 346275275 /nfs/dbraw/zinc/27/52/75/346275275.db2.gz JBZRVHUREORRMS-QUCGXOGASA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000626163362 346275277 /nfs/dbraw/zinc/27/52/77/346275277.db2.gz JBZRVHUREORRMS-QUCGXOGASA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000626163362 346275279 /nfs/dbraw/zinc/27/52/79/346275279.db2.gz JBZRVHUREORRMS-QUCGXOGASA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000626163362 346275281 /nfs/dbraw/zinc/27/52/81/346275281.db2.gz JBZRVHUREORRMS-QUCGXOGASA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000626163362 346275284 /nfs/dbraw/zinc/27/52/84/346275284.db2.gz JBZRVHUREORRMS-QUCGXOGASA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000626163285 346275338 /nfs/dbraw/zinc/27/53/38/346275338.db2.gz HYKMFHLZGDHXHR-PGLGOXFNSA-N 1 2 235.335 1.388 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000626163285 346275341 /nfs/dbraw/zinc/27/53/41/346275341.db2.gz HYKMFHLZGDHXHR-PGLGOXFNSA-N 1 2 235.335 1.388 20 0 BDADLO Cc1cccc(C)c1C(=O)NCc1[nH+]ccn1C ZINC000268536381 179031371 /nfs/dbraw/zinc/03/13/71/179031371.db2.gz LFJKNUCGPBBSGA-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1c[nH]c(CN2CCOCC(F)(F)C2)[nH+]1 ZINC000628283287 346295436 /nfs/dbraw/zinc/29/54/36/346295436.db2.gz NQIXMJBPFODHLQ-UHFFFAOYSA-N 1 2 231.246 1.186 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC23CC3)[nH+]1 ZINC000636056789 346303635 /nfs/dbraw/zinc/30/36/35/346303635.db2.gz YPCPFALUQBOIST-VIFPVBQESA-N 1 2 219.288 1.183 20 0 BDADLO Cc1cccc(C(C)(C)[NH2+]Cc2nnn(C)n2)c1 ZINC000193003355 179027839 /nfs/dbraw/zinc/02/78/39/179027839.db2.gz GKSZUFRQQVNKOY-UHFFFAOYSA-N 1 2 245.330 1.543 20 0 BDADLO Cc1[nH]c(CN(C)C[C@@H](O)C2CC2)[nH+]c1C ZINC000628279768 346290480 /nfs/dbraw/zinc/29/04/80/346290480.db2.gz YNXVDECLKFHHGK-LLVKDONJSA-N 1 2 223.320 1.229 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccncc2N)c2nccn21 ZINC000641758769 362690380 /nfs/dbraw/zinc/69/03/80/362690380.db2.gz UXFWCDHQASXNFH-JOYOIKCWSA-N 1 2 243.314 1.656 20 0 BDADLO CCCn1cc(CNc2cc(CO)cc[nH+]2)cn1 ZINC000641763106 362694285 /nfs/dbraw/zinc/69/42/85/362694285.db2.gz WQQCQYFZYNNTPW-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccsn1 ZINC000636102935 346319559 /nfs/dbraw/zinc/31/95/59/346319559.db2.gz ZCSLUNDHGQTEPX-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cnnn2C)n1 ZINC000353743050 179068931 /nfs/dbraw/zinc/06/89/31/179068931.db2.gz BIQGWCUFBVOSJN-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cnnn2C)n1 ZINC000353743050 179068934 /nfs/dbraw/zinc/06/89/34/179068934.db2.gz BIQGWCUFBVOSJN-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000336249753 179072291 /nfs/dbraw/zinc/07/22/91/179072291.db2.gz LTERHDRAAYEUIO-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)n1 ZINC000336249753 179072294 /nfs/dbraw/zinc/07/22/94/179072294.db2.gz LTERHDRAAYEUIO-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000636314476 346390287 /nfs/dbraw/zinc/39/02/87/346390287.db2.gz ZJOXGLIVSBPGAV-ISUQUUIWSA-N 1 2 249.314 1.195 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000636314476 346390291 /nfs/dbraw/zinc/39/02/91/346390291.db2.gz ZJOXGLIVSBPGAV-ISUQUUIWSA-N 1 2 249.314 1.195 20 0 BDADLO CC(C)OC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636323587 346395477 /nfs/dbraw/zinc/39/54/77/346395477.db2.gz OCBVANGLTWPUPG-GHMZBOCLSA-N 1 2 249.314 1.149 20 0 BDADLO CC(C)OC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636323587 346395480 /nfs/dbraw/zinc/39/54/80/346395480.db2.gz OCBVANGLTWPUPG-GHMZBOCLSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@H](CC(=O)NCCc1ccon1)n1cc[nH+]c1 ZINC000574920832 346412225 /nfs/dbraw/zinc/41/22/25/346412225.db2.gz AFSQIYCRPSRRDQ-SNVBAGLBSA-N 1 2 248.286 1.181 20 0 BDADLO Cc1cccc(C[NH+]2CCS(=O)CC2)c1C ZINC000119403243 179079127 /nfs/dbraw/zinc/07/91/27/179079127.db2.gz UMSQXOYHRGDCEJ-UHFFFAOYSA-N 1 2 237.368 1.868 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1F ZINC000679219236 488318409 /nfs/dbraw/zinc/31/84/09/488318409.db2.gz FKOZMQGABAWGDM-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1F ZINC000679219236 488318411 /nfs/dbraw/zinc/31/84/11/488318411.db2.gz FKOZMQGABAWGDM-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@H]1C1CC1 ZINC000332771124 346436826 /nfs/dbraw/zinc/43/68/26/346436826.db2.gz FMTJKHALWSYRTL-VWYCJHECSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@H]1C1CC1 ZINC000332771124 346436831 /nfs/dbraw/zinc/43/68/31/346436831.db2.gz FMTJKHALWSYRTL-VWYCJHECSA-N 1 2 245.326 1.429 20 0 BDADLO CC1(C)COCC[N@@H+]1CCNC(=O)C1CCC1 ZINC000170866153 346466898 /nfs/dbraw/zinc/46/68/98/346466898.db2.gz LSTTYIWTHIFOSR-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)COCC[N@H+]1CCNC(=O)C1CCC1 ZINC000170866153 346466900 /nfs/dbraw/zinc/46/69/00/346466900.db2.gz LSTTYIWTHIFOSR-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1OC2CCC1CC2 ZINC000636404640 346477578 /nfs/dbraw/zinc/47/75/78/346477578.db2.gz UAPWJOAFFNHLON-GCVQQVDUSA-N 1 2 249.314 1.673 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1OC2CCC1CC2 ZINC000636404640 346477582 /nfs/dbraw/zinc/47/75/82/346477582.db2.gz UAPWJOAFFNHLON-GCVQQVDUSA-N 1 2 249.314 1.673 20 0 BDADLO C[C@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000580063744 346503315 /nfs/dbraw/zinc/50/33/15/346503315.db2.gz JGKZUSGDWXEZIU-IUCAKERBSA-N 1 2 235.287 1.248 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186358751 346503497 /nfs/dbraw/zinc/50/34/97/346503497.db2.gz IQNRXCRVZHUGSX-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000580063745 346503606 /nfs/dbraw/zinc/50/36/06/346503606.db2.gz JGKZUSGDWXEZIU-RKDXNWHRSA-N 1 2 235.287 1.248 20 0 BDADLO O=C(NCCCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636805611 349970850 /nfs/dbraw/zinc/97/08/50/349970850.db2.gz HDOWAGXLSBBILQ-NSHDSACASA-N 1 2 248.330 1.297 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CC(C)(C)C ZINC000069641748 362764002 /nfs/dbraw/zinc/76/40/02/362764002.db2.gz WQOKJMJYYSYVHD-UHFFFAOYSA-N 1 2 223.320 1.815 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1(C)CCCC1 ZINC000069642246 362767126 /nfs/dbraw/zinc/76/71/26/362767126.db2.gz GRMFRPPCZNGLOP-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(F)cc1 ZINC000186816756 346536909 /nfs/dbraw/zinc/53/69/09/346536909.db2.gz XXSSEPOKKIUNIY-UHFFFAOYSA-N 1 2 233.246 1.740 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H](F)C1 ZINC000577116468 365821911 /nfs/dbraw/zinc/82/19/11/365821911.db2.gz CNOVGASPSGUASJ-JTQLQIEISA-N 1 2 226.299 1.540 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCC[C@H](F)C1 ZINC000577116468 365821916 /nfs/dbraw/zinc/82/19/16/365821916.db2.gz CNOVGASPSGUASJ-JTQLQIEISA-N 1 2 226.299 1.540 20 0 BDADLO Cc1ccc(CNC(=O)C[NH+]2CC(C)(C)C2)nc1 ZINC000577123539 365827579 /nfs/dbraw/zinc/82/75/79/365827579.db2.gz PCYHPTZJRARUOD-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1cccc(NC(=O)CCc2c[nH+]cn2C)n1 ZINC000189855950 179128417 /nfs/dbraw/zinc/12/84/17/179128417.db2.gz UEEQUXUMSXHTDR-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2cc(C)no2)CCO1 ZINC000626172723 346726305 /nfs/dbraw/zinc/72/63/05/346726305.db2.gz FBUGMRRRWWIVCN-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000626172723 346726307 /nfs/dbraw/zinc/72/63/07/346726307.db2.gz FBUGMRRRWWIVCN-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CCc1nc(C[NH2+]C(C)(C)C(C)(C)O)no1 ZINC000330363966 346685281 /nfs/dbraw/zinc/68/52/81/346685281.db2.gz AWUVTNXHUQTXOP-UHFFFAOYSA-N 1 2 227.308 1.271 20 0 BDADLO CC[C@@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590007846 346762769 /nfs/dbraw/zinc/76/27/69/346762769.db2.gz WCLLENIIICUJJT-SNVBAGLBSA-N 1 2 234.299 1.717 20 0 BDADLO CCc1c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ccn1C ZINC000580658379 365855501 /nfs/dbraw/zinc/85/55/01/365855501.db2.gz KXZYQRLPVUWSGI-SECBINFHSA-N 1 2 246.314 1.802 20 0 BDADLO O=C(C1CCCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000409421623 347112412 /nfs/dbraw/zinc/11/24/12/347112412.db2.gz LITYCCQYGAATCE-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1CCc1cscn1 ZINC000582059004 347152013 /nfs/dbraw/zinc/15/20/13/347152013.db2.gz HAYSTBQYWFEXFY-GFCCVEGCSA-N 1 2 239.388 1.712 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1CCc1cscn1 ZINC000582059004 347152015 /nfs/dbraw/zinc/15/20/15/347152015.db2.gz HAYSTBQYWFEXFY-GFCCVEGCSA-N 1 2 239.388 1.712 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@H]2CCCO2)n1 ZINC000582093479 347205485 /nfs/dbraw/zinc/20/54/85/347205485.db2.gz RUBHBXIPMWSRPC-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000582093479 347205487 /nfs/dbraw/zinc/20/54/87/347205487.db2.gz RUBHBXIPMWSRPC-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC2)C1 ZINC000582071164 347172792 /nfs/dbraw/zinc/17/27/92/347172792.db2.gz JRTPYLFZYKPLCS-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CCC2)C1 ZINC000582071164 347172796 /nfs/dbraw/zinc/17/27/96/347172796.db2.gz JRTPYLFZYKPLCS-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO Cc1[nH]c(CN(C2CC2)C2COC2)[nH+]c1C ZINC000628297055 347243111 /nfs/dbraw/zinc/24/31/11/347243111.db2.gz IEMDLOBQDKRCCP-UHFFFAOYSA-N 1 2 221.304 1.390 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000119735832 347301128 /nfs/dbraw/zinc/30/11/28/347301128.db2.gz SBWLPOPBJMVPIO-GHMZBOCLSA-N 1 2 209.293 1.457 20 0 BDADLO CC1(C)C[NH+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000191192000 347345086 /nfs/dbraw/zinc/34/50/86/347345086.db2.gz OLWJPVVPIPZWLM-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nnnn2C)c(C)o1 ZINC000189942595 347315842 /nfs/dbraw/zinc/31/58/42/347315842.db2.gz PIVNKEKEPRUZMF-DTWKUNHWSA-N 1 2 249.318 1.832 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccco2)c[nH+]1 ZINC000082268139 347321795 /nfs/dbraw/zinc/32/17/95/347321795.db2.gz NDZGIKPSCXSBPM-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO CCc1cc(NCCC[C@@H](O)CC)nc[nH+]1 ZINC000390624355 347408421 /nfs/dbraw/zinc/40/84/21/347408421.db2.gz JKMGEESAEKKLKF-NSHDSACASA-N 1 2 223.320 1.424 20 0 BDADLO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(F)(F)F ZINC000250858382 362824332 /nfs/dbraw/zinc/82/43/32/362824332.db2.gz PVUNMIPMAUNXPW-JGVFFNPUSA-N 1 2 236.237 1.292 20 0 BDADLO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(F)(F)F ZINC000250858382 362824335 /nfs/dbraw/zinc/82/43/35/362824335.db2.gz PVUNMIPMAUNXPW-JGVFFNPUSA-N 1 2 236.237 1.292 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000616921052 347450139 /nfs/dbraw/zinc/45/01/39/347450139.db2.gz DFQOXKBRNJNPIC-NTZNESFSSA-N 1 2 245.326 1.970 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000616921052 347450141 /nfs/dbraw/zinc/45/01/41/347450141.db2.gz DFQOXKBRNJNPIC-NTZNESFSSA-N 1 2 245.326 1.970 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)N3CCC3)cn21 ZINC000069479518 179230017 /nfs/dbraw/zinc/23/00/17/179230017.db2.gz DFBYTDJGZZIYMR-UHFFFAOYSA-N 1 2 244.298 1.558 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921354 347451779 /nfs/dbraw/zinc/45/17/79/347451779.db2.gz NYJOTSFYQASMQK-JTQLQIEISA-N 1 2 247.298 1.840 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921354 347451782 /nfs/dbraw/zinc/45/17/82/347451782.db2.gz NYJOTSFYQASMQK-JTQLQIEISA-N 1 2 247.298 1.840 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CCOCC3)n21 ZINC000336512364 179231133 /nfs/dbraw/zinc/23/11/33/179231133.db2.gz ODSPEQUOBUUFQE-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO C=C/C(C)=C/CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927512 347454986 /nfs/dbraw/zinc/45/49/86/347454986.db2.gz KJANCLGUCHVJBW-BJMVGYQFSA-N 1 2 219.288 1.891 20 0 BDADLO C=C/C(C)=C/CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927512 347454989 /nfs/dbraw/zinc/45/49/89/347454989.db2.gz KJANCLGUCHVJBW-BJMVGYQFSA-N 1 2 219.288 1.891 20 0 BDADLO C[C@@H]1COC2(CCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000617942234 347443623 /nfs/dbraw/zinc/44/36/23/347443623.db2.gz JQMLGHUYABROEL-LLVKDONJSA-N 1 2 249.314 1.053 20 0 BDADLO CC(C)N1CC[N@H+](CCOC(C)(C)C)CC1=O ZINC000356394535 187377047 /nfs/dbraw/zinc/37/70/47/187377047.db2.gz SYLQSMDXJQLSRJ-UHFFFAOYSA-N 1 2 242.363 1.354 20 0 BDADLO CC(C)N1CC[N@@H+](CCOC(C)(C)C)CC1=O ZINC000356394535 187377049 /nfs/dbraw/zinc/37/70/49/187377049.db2.gz SYLQSMDXJQLSRJ-UHFFFAOYSA-N 1 2 242.363 1.354 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1(C)CC1 ZINC000616927158 347459867 /nfs/dbraw/zinc/45/98/67/347459867.db2.gz BLHKGGXATBLXCK-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1(C)CC1 ZINC000616927158 347459869 /nfs/dbraw/zinc/45/98/69/347459869.db2.gz BLHKGGXATBLXCK-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000590601275 347475776 /nfs/dbraw/zinc/47/57/76/347475776.db2.gz SBEFLRWOCFPCLR-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCc2nc[nH]c2C1 ZINC000590601275 347475777 /nfs/dbraw/zinc/47/57/77/347475777.db2.gz SBEFLRWOCFPCLR-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO COC(=O)CC1(CN2CCn3c[nH+]cc3C2)CC1 ZINC000590600430 347480571 /nfs/dbraw/zinc/48/05/71/347480571.db2.gz XGARPWFJVUNDJT-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO Nc1nc(N[C@H]2CC[C@H](F)C2)[nH+]c2ccccc12 ZINC000577242327 365895985 /nfs/dbraw/zinc/89/59/85/365895985.db2.gz BHERHIKEEDXTBT-IUCAKERBSA-N 1 2 246.289 1.767 20 0 BDADLO CC(C)[C@H](Sc1[nH+]cc2ccccn21)C(N)=O ZINC000357169942 187377927 /nfs/dbraw/zinc/37/79/27/187377927.db2.gz GTWIPWDOKNKVJN-JTQLQIEISA-N 1 2 249.339 1.936 20 0 BDADLO Cc1oc(C)c(C(=O)NCc2[nH+]ccn2C)c1C ZINC000590738047 347502110 /nfs/dbraw/zinc/50/21/10/347502110.db2.gz NTAJRDXYUWIGON-UHFFFAOYSA-N 1 2 247.298 1.868 20 0 BDADLO CC[C@H](C)N(CC)C(=O)CCc1c[nH+]cn1C ZINC000616977843 347559545 /nfs/dbraw/zinc/55/95/45/347559545.db2.gz OCCCEPNMTMYMON-NSHDSACASA-N 1 2 237.347 2.000 20 0 BDADLO CC(C)(O)CN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493125450 347568051 /nfs/dbraw/zinc/56/80/51/347568051.db2.gz XHCXGELOQBYTAF-AATRIKPKSA-N 1 2 249.314 1.185 20 0 BDADLO CCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590855202 347574928 /nfs/dbraw/zinc/57/49/28/347574928.db2.gz JUNDETYQAQPKKV-JTQLQIEISA-N 1 2 222.292 1.250 20 0 BDADLO CC[C@H](C[NH2+][C@@](C)(CC)C(=O)OC)OC ZINC000419225214 192107520 /nfs/dbraw/zinc/10/75/20/192107520.db2.gz GUAVGYHTUMGLON-KOLCDFICSA-N 1 2 217.309 1.343 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+](CC(F)F)C1 ZINC000591055472 347611999 /nfs/dbraw/zinc/61/19/99/347611999.db2.gz USKVKLDWDJSAQY-SNVBAGLBSA-N 1 2 221.247 1.527 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+](CC(F)F)C1 ZINC000591055472 347612000 /nfs/dbraw/zinc/61/20/00/347612000.db2.gz USKVKLDWDJSAQY-SNVBAGLBSA-N 1 2 221.247 1.527 20 0 BDADLO CCC(CC)C(=O)NCCn1cc[nH+]c1 ZINC000199961056 347777963 /nfs/dbraw/zinc/77/79/63/347777963.db2.gz RCBRQJCPGSOVBU-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493449563 347808112 /nfs/dbraw/zinc/80/81/12/347808112.db2.gz GYCVEGDNHKDSOS-PLNGDYQASA-N 1 2 245.286 1.412 20 0 BDADLO CCN(CCSC)C(=O)CCc1c[nH+]c[nH]1 ZINC000592919413 347831174 /nfs/dbraw/zinc/83/11/74/347831174.db2.gz YVQQQKGLHQDFLH-UHFFFAOYSA-N 1 2 241.360 1.554 20 0 BDADLO CCN(CCSC)C(=O)CCc1c[nH]c[nH+]1 ZINC000592919413 347831176 /nfs/dbraw/zinc/83/11/76/347831176.db2.gz YVQQQKGLHQDFLH-UHFFFAOYSA-N 1 2 241.360 1.554 20 0 BDADLO CCc1cc(NCCc2cccc(O)c2)nc[nH+]1 ZINC000592456404 347783455 /nfs/dbraw/zinc/78/34/55/347783455.db2.gz UOJWEOHNTGERNT-UHFFFAOYSA-N 1 2 243.310 1.821 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593099163 347855837 /nfs/dbraw/zinc/85/58/37/347855837.db2.gz IAOXISHLZIYWLC-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593099163 347855838 /nfs/dbraw/zinc/85/58/38/347855838.db2.gz IAOXISHLZIYWLC-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO CC[C@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000577313862 365923084 /nfs/dbraw/zinc/92/30/84/365923084.db2.gz ZRRFRAKRSVRSBZ-CYBMUJFWSA-N 1 2 235.331 1.611 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)COCC1CC1)C1CC1 ZINC000593183439 347869031 /nfs/dbraw/zinc/86/90/31/347869031.db2.gz WVPBGOYWBVWUBV-JOYOIKCWSA-N 1 2 241.331 1.343 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363202322 187384055 /nfs/dbraw/zinc/38/40/55/187384055.db2.gz PMRQXQQZDHIIAQ-QWRGUYRKSA-N 1 2 235.331 1.606 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC)[C@H]1CCCCO1 ZINC000594044921 347987661 /nfs/dbraw/zinc/98/76/61/347987661.db2.gz VDRVVOOHHOOYJK-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000368470484 187384616 /nfs/dbraw/zinc/38/46/16/187384616.db2.gz MLOYVWASIZJLSJ-WDEREUQCSA-N 1 2 249.314 1.558 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000368470484 187384619 /nfs/dbraw/zinc/38/46/19/187384619.db2.gz MLOYVWASIZJLSJ-WDEREUQCSA-N 1 2 249.314 1.558 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000368392706 187384964 /nfs/dbraw/zinc/38/49/64/187384964.db2.gz JYOKBDRXCQEAJV-WDEREUQCSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000368392706 187384966 /nfs/dbraw/zinc/38/49/66/187384966.db2.gz JYOKBDRXCQEAJV-WDEREUQCSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000368392706 187384968 /nfs/dbraw/zinc/38/49/68/187384968.db2.gz JYOKBDRXCQEAJV-WDEREUQCSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000368392706 187384969 /nfs/dbraw/zinc/38/49/69/187384969.db2.gz JYOKBDRXCQEAJV-WDEREUQCSA-N 1 2 238.335 1.349 20 0 BDADLO COC(=O)CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594031218 347992777 /nfs/dbraw/zinc/99/27/77/347992777.db2.gz IPPFPBUGWFPYTO-UHFFFAOYSA-N 1 2 241.237 1.844 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)[C@@H]1CCCCO1 ZINC000594551513 348067625 /nfs/dbraw/zinc/06/76/25/348067625.db2.gz FREQPDQIAFQVDZ-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cccn2cc(CNC(=O)C(F)F)[nH+]c12 ZINC000194587576 179355863 /nfs/dbraw/zinc/35/58/63/179355863.db2.gz YXZDJJIUIJEZDF-UHFFFAOYSA-N 1 2 239.225 1.524 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000594615533 348083886 /nfs/dbraw/zinc/08/38/86/348083886.db2.gz WFDWGXDUKABADC-HLTSFMKQSA-N 1 2 217.334 1.422 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1nnc[nH]1 ZINC000419233276 192112725 /nfs/dbraw/zinc/11/27/25/192112725.db2.gz LIWYHPAPOTWLFC-JTQLQIEISA-N 1 2 226.324 1.298 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1nnc[nH]1 ZINC000419233276 192112726 /nfs/dbraw/zinc/11/27/26/192112726.db2.gz LIWYHPAPOTWLFC-JTQLQIEISA-N 1 2 226.324 1.298 20 0 BDADLO Cc1ccc[nH+]c1CCNc1ncc(F)cn1 ZINC000295801046 179370552 /nfs/dbraw/zinc/37/05/52/179370552.db2.gz SMWDPFMIHPSHEF-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO CCC(CC)(NCc1cn(C)c[nH+]1)C(=O)OC ZINC000595435490 348249937 /nfs/dbraw/zinc/24/99/37/348249937.db2.gz GMRVMNQNXLBQMD-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](OC)C1CCC1)C1CC1 ZINC000595452378 348254017 /nfs/dbraw/zinc/25/40/17/348254017.db2.gz JWWFALCWRFLJRT-NWDGAFQWSA-N 1 2 241.331 1.343 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](OC)C1CCC1)C1CC1 ZINC000595452379 348254084 /nfs/dbraw/zinc/25/40/84/348254084.db2.gz JWWFALCWRFLJRT-RYUDHWBXSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000364338986 179377324 /nfs/dbraw/zinc/37/73/24/179377324.db2.gz BZZHEDLLMLZVAY-AAEUAGOBSA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000364338986 179377327 /nfs/dbraw/zinc/37/73/27/179377327.db2.gz BZZHEDLLMLZVAY-AAEUAGOBSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H](OC)C1CCC1)C1CC1 ZINC000595342668 348233276 /nfs/dbraw/zinc/23/32/76/348233276.db2.gz GBKDFAUXOBAASB-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)C[N@H+](C[C@@H](OC)C1CCC1)C1CC1 ZINC000595342668 348233279 /nfs/dbraw/zinc/23/32/79/348233279.db2.gz GBKDFAUXOBAASB-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)SCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546332 348267933 /nfs/dbraw/zinc/26/79/33/348267933.db2.gz FFHSYDZRQMZOSA-UHFFFAOYSA-N 1 2 231.321 1.349 20 0 BDADLO CC(C)SCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546332 348267934 /nfs/dbraw/zinc/26/79/34/348267934.db2.gz FFHSYDZRQMZOSA-UHFFFAOYSA-N 1 2 231.321 1.349 20 0 BDADLO CC[C@@](COC)([NH2+]CC1CC=CC1)C(=O)OC ZINC000595530819 348273190 /nfs/dbraw/zinc/27/31/90/348273190.db2.gz URUOTCNVAWIDLP-ZDUSSCGKSA-N 1 2 241.331 1.510 20 0 BDADLO CCC(CC)C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000595531864 348273784 /nfs/dbraw/zinc/27/37/84/348273784.db2.gz ZAHIHYRIVQFDCZ-ZDUSSCGKSA-N 1 2 245.363 1.980 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@H](C)CC(C)C ZINC000595532641 348274554 /nfs/dbraw/zinc/27/45/54/348274554.db2.gz UONMEDPVKMSAEC-ZYHUDNBSSA-N 1 2 231.336 1.182 20 0 BDADLO CC[NH2+][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595736785 348319158 /nfs/dbraw/zinc/31/91/58/348319158.db2.gz VKAYQEMEXLWRLP-LLVKDONJSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCOC(C)(C)C ZINC000595769953 348335582 /nfs/dbraw/zinc/33/55/82/348335582.db2.gz PIFJSZASRIERGF-GFCCVEGCSA-N 1 2 249.326 1.682 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCCOC(C)C ZINC000595768370 348335790 /nfs/dbraw/zinc/33/57/90/348335790.db2.gz BILNYHJVJJPGJB-LBPRGKRZSA-N 1 2 249.326 1.682 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](OC)C1CC1 ZINC000595771709 348336455 /nfs/dbraw/zinc/33/64/55/348336455.db2.gz DPIOEOHLDMXXBT-CMPLNLGQSA-N 1 2 247.310 1.292 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCC1(O)CCC1 ZINC000595771806 348336538 /nfs/dbraw/zinc/33/65/38/348336538.db2.gz GBNJGSCWSZKSHX-NSHDSACASA-N 1 2 247.310 1.172 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000595773239 348337206 /nfs/dbraw/zinc/33/72/06/348337206.db2.gz DIMVYZSXDIRVQX-SCVCMEIPSA-N 1 2 247.310 1.435 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCOC1CCC1 ZINC000595773236 348337396 /nfs/dbraw/zinc/33/73/96/348337396.db2.gz DIAXNNRPUSHSTE-LBPRGKRZSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000595773238 348337417 /nfs/dbraw/zinc/33/74/17/348337417.db2.gz DIMVYZSXDIRVQX-NHCYSSNCSA-N 1 2 247.310 1.435 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000595848699 348355385 /nfs/dbraw/zinc/35/53/85/348355385.db2.gz NYGHVKWKXIGEOX-WAAGHKOSSA-N 1 2 224.260 1.058 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000595848699 348355389 /nfs/dbraw/zinc/35/53/89/348355389.db2.gz NYGHVKWKXIGEOX-WAAGHKOSSA-N 1 2 224.260 1.058 20 0 BDADLO CC[C@@H](C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000419283442 192123223 /nfs/dbraw/zinc/12/32/23/192123223.db2.gz NCWPUTXSZBBMBX-IUCAKERBSA-N 1 2 225.279 1.359 20 0 BDADLO CC[C@@H](C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000419283442 192123225 /nfs/dbraw/zinc/12/32/25/192123225.db2.gz NCWPUTXSZBBMBX-IUCAKERBSA-N 1 2 225.279 1.359 20 0 BDADLO CC(C)([NH2+]CC(=O)N1CCC1)c1nccs1 ZINC000266739629 187398976 /nfs/dbraw/zinc/39/89/76/187398976.db2.gz MUCXZMGNYNCXFP-UHFFFAOYSA-N 1 2 239.344 1.200 20 0 BDADLO CSCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597864253 348837051 /nfs/dbraw/zinc/83/70/51/348837051.db2.gz OAQIKUKIWZORHR-UHFFFAOYSA-N 1 2 213.306 1.121 20 0 BDADLO CSCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597864253 348837055 /nfs/dbraw/zinc/83/70/55/348837055.db2.gz OAQIKUKIWZORHR-UHFFFAOYSA-N 1 2 213.306 1.121 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[C@H]1CCC2 ZINC000421753329 192379937 /nfs/dbraw/zinc/37/99/37/192379937.db2.gz ZGWVRSIMBKDEHA-NQBHXWOUSA-N 1 2 233.315 1.578 20 0 BDADLO CSCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000598686315 349016583 /nfs/dbraw/zinc/01/65/83/349016583.db2.gz ZAQIEHIZZIZULK-UHFFFAOYSA-N 1 2 241.360 1.557 20 0 BDADLO COC(=O)c1cn(Cc2cc[nH+]c(C)c2)c(C)n1 ZINC000598708420 349023726 /nfs/dbraw/zinc/02/37/26/349023726.db2.gz GFNVDPLWCNCJSP-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598951204 349071520 /nfs/dbraw/zinc/07/15/20/349071520.db2.gz YOFPEAHDSTWHEY-DTWKUNHWSA-N 1 2 239.344 1.066 20 0 BDADLO C/C=C/CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000599171429 349110952 /nfs/dbraw/zinc/11/09/52/349110952.db2.gz GZSRMEJZZGDISN-ONEGZZNKSA-N 1 2 220.272 1.207 20 0 BDADLO CCO[C@H](C[NH2+]C(C)(C)C(=O)OC)C1CC1 ZINC000599281527 349139549 /nfs/dbraw/zinc/13/95/49/349139549.db2.gz VPBUWVOSTONTKF-SNVBAGLBSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CC12CC2 ZINC000421777084 192385025 /nfs/dbraw/zinc/38/50/25/192385025.db2.gz XBVVIPFIEJONQA-NSHDSACASA-N 1 2 247.342 1.955 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@H]2CCCO2)c[nH+]1 ZINC000599301495 349142325 /nfs/dbraw/zinc/14/23/25/349142325.db2.gz GOPRWKUOODVLQK-SECBINFHSA-N 1 2 223.276 1.017 20 0 BDADLO Cc1nnc(NC(=O)[C@@H]2CCCC[N@H+]2C)s1 ZINC000599303417 349142480 /nfs/dbraw/zinc/14/24/80/349142480.db2.gz UOCDLYKZODKXFQ-QMMMGPOBSA-N 1 2 240.332 1.269 20 0 BDADLO Cc1nnc(NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC000599303417 349142482 /nfs/dbraw/zinc/14/24/82/349142482.db2.gz UOCDLYKZODKXFQ-QMMMGPOBSA-N 1 2 240.332 1.269 20 0 BDADLO CCO[C@H](C[NH2+][C@H](C(=O)OC)C(C)C)C1CC1 ZINC000599359776 349159338 /nfs/dbraw/zinc/15/93/38/349159338.db2.gz UQTQJFAYKWJYFB-NEPJUHHUSA-N 1 2 243.347 1.589 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626611 349231460 /nfs/dbraw/zinc/23/14/60/349231460.db2.gz SNPWWPUMVKBESO-DGORSVRFSA-N 1 2 243.347 1.730 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626194 349231485 /nfs/dbraw/zinc/23/14/85/349231485.db2.gz PEOKZIOFOAQUBG-XXFSISAASA-N 1 2 229.320 1.340 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(O)c2)[nH]1 ZINC000184622799 349271854 /nfs/dbraw/zinc/27/18/54/349271854.db2.gz JCLSYYYXHSSFGH-VIFPVBQESA-N 1 2 246.314 1.924 20 0 BDADLO Cc1nc(N[C@@H]2COC(C)(C)C2)cc[nH+]1 ZINC000396520484 538037253 /nfs/dbraw/zinc/03/72/53/538037253.db2.gz ACGNOAHESVAHHR-VIFPVBQESA-N 1 2 207.277 1.764 20 0 BDADLO CC(C)c1nc(NC[C@](C)(O)C2CC2)cc[nH+]1 ZINC000601746430 349339122 /nfs/dbraw/zinc/33/91/22/349339122.db2.gz LNMOMNBINQSDDG-ZDUSSCGKSA-N 1 2 235.331 1.595 20 0 BDADLO CCCCc1nc(C[N@H+](CC)C[C@@H](C)O)no1 ZINC000352200564 535095534 /nfs/dbraw/zinc/09/55/34/535095534.db2.gz AVWBLADZMBWZKP-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](CC)C[C@@H](C)O)no1 ZINC000352200564 535095537 /nfs/dbraw/zinc/09/55/37/535095537.db2.gz AVWBLADZMBWZKP-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000357669454 179908132 /nfs/dbraw/zinc/90/81/32/179908132.db2.gz CRVFUZWTLZSQTC-UFBFGSQYSA-N 1 2 235.331 1.466 20 0 BDADLO CCc1cc(NCC(C)(C)C(=O)OC)nc[nH+]1 ZINC000301626419 349422328 /nfs/dbraw/zinc/42/23/28/349422328.db2.gz FFNCMIKWECUYSS-UHFFFAOYSA-N 1 2 237.303 1.650 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@@H]2CCCCO2)no1 ZINC000330860200 179947238 /nfs/dbraw/zinc/94/72/38/179947238.db2.gz PFTKWQBAQSCXFC-NSHDSACASA-N 1 2 239.319 1.769 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@@H]2CCCCO2)no1 ZINC000330860200 179947239 /nfs/dbraw/zinc/94/72/39/179947239.db2.gz PFTKWQBAQSCXFC-NSHDSACASA-N 1 2 239.319 1.769 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636870935 350027326 /nfs/dbraw/zinc/02/73/26/350027326.db2.gz YKAMRNDCVZOCRH-JFGNBEQYSA-N 1 2 248.330 1.296 20 0 BDADLO CCOCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603819524 350039462 /nfs/dbraw/zinc/03/94/62/350039462.db2.gz QUTDTNUGHFNULC-UHFFFAOYSA-N 1 2 219.244 1.309 20 0 BDADLO COc1ccc(NC2CCN(C(C)=O)CC2)[nH+]c1 ZINC000603821398 350039884 /nfs/dbraw/zinc/03/98/84/350039884.db2.gz UTNFJGJRWKZFKO-UHFFFAOYSA-N 1 2 249.314 1.513 20 0 BDADLO CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCOCC1 ZINC000603916330 350055753 /nfs/dbraw/zinc/05/57/53/350055753.db2.gz PWGXJSKGHWMZTR-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO CCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154903252 168609253 /nfs/dbraw/zinc/60/92/53/168609253.db2.gz RFAGRQTUPOHKAM-UHFFFAOYSA-N 1 2 223.320 1.922 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC3(C2)CCOC3)[nH+]1 ZINC000328716256 180000638 /nfs/dbraw/zinc/00/06/38/180000638.db2.gz DTFSBBLSZYGWBJ-UHFFFAOYSA-N 1 2 244.298 1.493 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](F)[C@@H](F)C2)[nH+]1 ZINC000336268105 180004729 /nfs/dbraw/zinc/00/47/29/180004729.db2.gz VQMXYAVYHPJYLQ-DTORHVGOSA-N 1 2 238.241 1.763 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CSC[NH2+]2)sc1C ZINC000042573173 180011816 /nfs/dbraw/zinc/01/18/16/180011816.db2.gz OCZVQTSVNUJRLN-SSDOTTSWSA-N 1 2 243.357 1.361 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCOC2)[nH+]1 ZINC000336735075 180024208 /nfs/dbraw/zinc/02/42/08/180024208.db2.gz LMTHSDVCTRSIBY-MRVPVSSYSA-N 1 2 218.260 1.467 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@H]2C)[nH+]1 ZINC000309810766 180025296 /nfs/dbraw/zinc/02/52/96/180025296.db2.gz UBSKRAITCLKPQL-APPZFPTMSA-N 1 2 221.308 1.456 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000309810766 180025300 /nfs/dbraw/zinc/02/53/00/180025300.db2.gz UBSKRAITCLKPQL-APPZFPTMSA-N 1 2 221.308 1.456 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](CO)CC2)no1 ZINC000331670092 180036092 /nfs/dbraw/zinc/03/60/92/180036092.db2.gz RQBBBZJHGYKZKR-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](CO)CC2)no1 ZINC000331670092 180036093 /nfs/dbraw/zinc/03/60/93/180036093.db2.gz RQBBBZJHGYKZKR-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)no1 ZINC000278575550 180037747 /nfs/dbraw/zinc/03/77/47/180037747.db2.gz JQLAVPCUMMQLJP-DTWKUNHWSA-N 1 2 235.291 1.314 20 0 BDADLO Cc1nc([C@@H]2CCCCN2Cc2c[nH+]c[nH]2)no1 ZINC000372840682 180041169 /nfs/dbraw/zinc/04/11/69/180041169.db2.gz WKUCNJIVBIOGBC-NSHDSACASA-N 1 2 247.302 1.828 20 0 BDADLO Cc1nc([C@@H]2CCCCN2Cc2c[nH]c[nH+]2)no1 ZINC000372840682 180041172 /nfs/dbraw/zinc/04/11/72/180041172.db2.gz WKUCNJIVBIOGBC-NSHDSACASA-N 1 2 247.302 1.828 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCSCC2)[nH]1 ZINC000335197163 180046725 /nfs/dbraw/zinc/04/67/25/180046725.db2.gz VPRZRZXDGINIPI-ZETCQYMHSA-N 1 2 212.322 1.223 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)no1 ZINC000278575551 180050261 /nfs/dbraw/zinc/05/02/61/180050261.db2.gz JQLAVPCUMMQLJP-IUCAKERBSA-N 1 2 235.291 1.314 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@]2(C)CCO[C@@H]2C)no1 ZINC000336744253 180052094 /nfs/dbraw/zinc/05/20/94/180052094.db2.gz PZEFFZGTNIAEMU-RNSXUZJQSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc([C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)no1 ZINC000329177124 180056709 /nfs/dbraw/zinc/05/67/09/180056709.db2.gz CDNYGAOBNVQDHN-NWDGAFQWSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc([C@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)no1 ZINC000329177124 180056712 /nfs/dbraw/zinc/05/67/12/180056712.db2.gz CDNYGAOBNVQDHN-NWDGAFQWSA-N 1 2 249.314 1.860 20 0 BDADLO Cc1nc(N(C)[C@@H](C)CO)c2c([nH+]1)CCCC2 ZINC000282925363 180067880 /nfs/dbraw/zinc/06/78/80/180067880.db2.gz WSCZMEXVSZMHOT-VIFPVBQESA-N 1 2 235.331 1.481 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)C[C@@H]2CCCO2)c[nH+]1 ZINC000333978514 180131273 /nfs/dbraw/zinc/13/12/73/180131273.db2.gz OBOVLTJZCGHFSL-WPRPVWTQSA-N 1 2 237.303 1.406 20 0 BDADLO Cc1cnc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(O)c1 ZINC000427015958 191051188 /nfs/dbraw/zinc/05/11/88/191051188.db2.gz NXEAGJQORMSHIO-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C2CC2)C(F)(F)F)c[nH+]1 ZINC000360794024 180133349 /nfs/dbraw/zinc/13/33/49/180133349.db2.gz GSSPKMXJCLZCHS-MRVPVSSYSA-N 1 2 247.220 1.789 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2ccncc2F)c[nH+]1 ZINC000336334961 180134210 /nfs/dbraw/zinc/13/42/10/180134210.db2.gz DESOWZVODPVQSQ-SSDOTTSWSA-N 1 2 248.261 1.743 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)s1 ZINC000172019370 180139351 /nfs/dbraw/zinc/13/93/51/180139351.db2.gz NEFXTGZBLOBXHU-SNVBAGLBSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H]2CCN(C)C2=O)s1 ZINC000172019370 180139353 /nfs/dbraw/zinc/13/93/53/180139353.db2.gz NEFXTGZBLOBXHU-SNVBAGLBSA-N 1 2 239.344 1.114 20 0 BDADLO CC(C)=CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637083665 350178716 /nfs/dbraw/zinc/17/87/16/350178716.db2.gz NFFHVMTVZYMXTO-SNVBAGLBSA-N 1 2 234.303 1.073 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(O)cc1 ZINC000348161727 180118388 /nfs/dbraw/zinc/11/83/88/180118388.db2.gz BHHZGJZGKVPYAY-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO Cc1ncc(C[N@H+]2CCN(C)C[C@@H]2C)s1 ZINC000336554891 180144392 /nfs/dbraw/zinc/14/43/92/180144392.db2.gz VESWENCSNCSNQF-VIFPVBQESA-N 1 2 225.361 1.587 20 0 BDADLO Cc1ncc(C[N@@H+]2CCN(C)C[C@@H]2C)s1 ZINC000336554891 180144394 /nfs/dbraw/zinc/14/43/94/180144394.db2.gz VESWENCSNCSNQF-VIFPVBQESA-N 1 2 225.361 1.587 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000338369466 180146555 /nfs/dbraw/zinc/14/65/55/180146555.db2.gz SGPGAPYHUQTHRV-AOOOYVTPSA-N 1 2 240.328 1.051 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000338369466 180146558 /nfs/dbraw/zinc/14/65/58/180146558.db2.gz SGPGAPYHUQTHRV-AOOOYVTPSA-N 1 2 240.328 1.051 20 0 BDADLO COc1ccnc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000604743016 350182819 /nfs/dbraw/zinc/18/28/19/350182819.db2.gz IHYRLTXJHABTFD-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO Cc1nccc(C[NH2+][C@@H](CCO)c2ccco2)n1 ZINC000339361826 180190566 /nfs/dbraw/zinc/19/05/66/180190566.db2.gz PGHCPWNSOZGAFQ-LBPRGKRZSA-N 1 2 247.298 1.591 20 0 BDADLO Cc1nc(NCC2CCOCC2)cc[nH+]1 ZINC000082544982 180198548 /nfs/dbraw/zinc/19/85/48/180198548.db2.gz WYEJIEUOMLAFNT-UHFFFAOYSA-N 1 2 207.277 1.624 20 0 BDADLO Cc1nc(NCC[C@H](C)CCO)cc[nH+]1 ZINC000294839482 180199355 /nfs/dbraw/zinc/19/93/55/180199355.db2.gz AYYBLUBOKGQOHJ-VIFPVBQESA-N 1 2 209.293 1.606 20 0 BDADLO Cc1nc(NC[C@@H](CO)c2ccccc2)cc[nH+]1 ZINC000174930181 180200023 /nfs/dbraw/zinc/20/00/23/180200023.db2.gz DGCKDNPFTRYDFF-ZDUSSCGKSA-N 1 2 243.310 1.973 20 0 BDADLO Cc1nc(NC[C@@H](O)Cc2ccccc2)cc[nH+]1 ZINC000266405769 180200658 /nfs/dbraw/zinc/20/06/58/180200658.db2.gz PZWAGDIUTKZNMJ-ZDUSSCGKSA-N 1 2 243.310 1.801 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000084233812 180201636 /nfs/dbraw/zinc/20/16/36/180201636.db2.gz FKTVYBNLDSRDFY-ZJUUUORDSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(NCc2nccn2C(F)F)cc[nH+]1 ZINC000266199536 180203315 /nfs/dbraw/zinc/20/33/15/180203315.db2.gz CXKGBXUASLJVKQ-UHFFFAOYSA-N 1 2 239.229 1.989 20 0 BDADLO Cc1nc(N[C@@H]2c3ccccc3C[C@H]2O)cc[nH+]1 ZINC000080572358 180206482 /nfs/dbraw/zinc/20/64/82/180206482.db2.gz XXISSSYNCOSLQS-TZMCWYRMSA-N 1 2 241.294 1.855 20 0 BDADLO Cc1nc(N[C@@H](C)[C@@H]2CCCOC2)cc[nH+]1 ZINC000336678510 180182032 /nfs/dbraw/zinc/18/20/32/180182032.db2.gz BTMVRLJLIVDMSB-GXSJLCMTSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOCC23CCCC3)n1 ZINC000369544884 180182446 /nfs/dbraw/zinc/18/24/46/180182446.db2.gz AWIVISPEHWHVIM-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1nccc(C[N@H+]2CCOCC23CCCC3)n1 ZINC000369544884 180182452 /nfs/dbraw/zinc/18/24/52/180182452.db2.gz AWIVISPEHWHVIM-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000353095310 180186341 /nfs/dbraw/zinc/18/63/41/180186341.db2.gz LNYFABKJVGJGCG-AXFHLTTASA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000353095310 180186343 /nfs/dbraw/zinc/18/63/43/180186343.db2.gz LNYFABKJVGJGCG-AXFHLTTASA-N 1 2 235.331 1.783 20 0 BDADLO CC[C@](C)(C[NH2+]C(C)(C)C(=O)OC)OC ZINC000319099222 350263269 /nfs/dbraw/zinc/26/32/69/350263269.db2.gz WKMYIFJROKUUED-LLVKDONJSA-N 1 2 217.309 1.343 20 0 BDADLO CCc1cc(N[C@H]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000606155623 350280374 /nfs/dbraw/zinc/28/03/74/350280374.db2.gz KVQHPSZVCSGAOW-KOLCDFICSA-N 1 2 248.330 1.495 20 0 BDADLO Cc1ncsc1CC[NH2+][C@]1(C)CCOC1=O ZINC000289517044 180310388 /nfs/dbraw/zinc/31/03/88/180310388.db2.gz LCMGKOYOGQCTIJ-LLVKDONJSA-N 1 2 240.328 1.289 20 0 BDADLO CC[C@@](C)(C[NH2+][C@H](CC(C)C)C(=O)OC)OC ZINC000319856764 350377101 /nfs/dbraw/zinc/37/71/01/350377101.db2.gz LNEPNTCRBJKKLW-YPMHNXCESA-N 1 2 245.363 1.979 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cc[nH]n1 ZINC000353015484 180336727 /nfs/dbraw/zinc/33/67/27/180336727.db2.gz GKCNNRUVQNKRCI-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353015484 180336730 /nfs/dbraw/zinc/33/67/30/180336730.db2.gz GKCNNRUVQNKRCI-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO C[C@@H](NC(=O)N(C1CC1)C1CC1)c1[nH+]ccn1C ZINC000637291124 350406936 /nfs/dbraw/zinc/40/69/36/350406936.db2.gz VBGUKVZTSNENID-SECBINFHSA-N 1 2 248.330 1.818 20 0 BDADLO CCc1cc(N[C@H](CO)CC(C)C)nc[nH+]1 ZINC000040778894 350399033 /nfs/dbraw/zinc/39/90/33/350399033.db2.gz BEEXSXNAZOUDCX-NSHDSACASA-N 1 2 223.320 1.858 20 0 BDADLO Cc1cnc(C[NH2+]Cc2scnc2C)n1C ZINC000336739810 180321725 /nfs/dbraw/zinc/32/17/25/180321725.db2.gz PMGILQANHVMWST-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1c[nH+]c(CNCc2scnc2C)n1C ZINC000336739810 180321727 /nfs/dbraw/zinc/32/17/27/180321727.db2.gz PMGILQANHVMWST-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1ncsc1C[NH2+]Cc1cocn1 ZINC000308722690 180322390 /nfs/dbraw/zinc/32/23/90/180322390.db2.gz FAJNBEFHTISHJX-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CC1(C)CC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637290530 350402030 /nfs/dbraw/zinc/40/20/30/350402030.db2.gz WLIGLFNTTLDBTH-VIFPVBQESA-N 1 2 248.330 1.296 20 0 BDADLO Cc1nn(C)c(C)c1CNc1ccc(CO)c[nH+]1 ZINC000291524087 180342662 /nfs/dbraw/zinc/34/26/62/180342662.db2.gz JLQSZKFGTALSBQ-UHFFFAOYSA-N 1 2 246.314 1.536 20 0 BDADLO CC[N@H+](Cc1nccc(C)n1)[C@@H]1CCOC1 ZINC000336658105 350421928 /nfs/dbraw/zinc/42/19/28/350421928.db2.gz MISXTWZQPFSJJQ-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC[N@@H+](Cc1nccc(C)n1)[C@@H]1CCOC1 ZINC000336658105 350421930 /nfs/dbraw/zinc/42/19/30/350421930.db2.gz MISXTWZQPFSJJQ-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC[N@H+](Cc1ncc(C)o1)[C@H]1CCOC1 ZINC000336659038 350422994 /nfs/dbraw/zinc/42/29/94/350422994.db2.gz BKRWXSLGXHPCSI-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@@H+](Cc1ncc(C)o1)[C@H]1CCOC1 ZINC000336659038 350422995 /nfs/dbraw/zinc/42/29/95/350422995.db2.gz BKRWXSLGXHPCSI-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000336279847 180337478 /nfs/dbraw/zinc/33/74/78/180337478.db2.gz FOLHYHDFNMDZCL-LLVKDONJSA-N 1 2 241.310 1.207 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000336279847 180337480 /nfs/dbraw/zinc/33/74/80/180337480.db2.gz FOLHYHDFNMDZCL-LLVKDONJSA-N 1 2 241.310 1.207 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1F ZINC000335199378 538091616 /nfs/dbraw/zinc/09/16/16/538091616.db2.gz KCZUVBHQPSQGJW-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427999526 191104875 /nfs/dbraw/zinc/10/48/75/191104875.db2.gz ZPJDGJJOSWNGKC-ZJUUUORDSA-N 1 2 233.315 1.360 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccncc1 ZINC000336700924 350456965 /nfs/dbraw/zinc/45/69/65/350456965.db2.gz HEGCQJYTNUWPKP-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccncc1 ZINC000336700924 350456966 /nfs/dbraw/zinc/45/69/66/350456966.db2.gz HEGCQJYTNUWPKP-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1ccccn1 ZINC000273411236 180373392 /nfs/dbraw/zinc/37/33/92/180373392.db2.gz OJKDDPHKWHDCFS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccccn1 ZINC000273411236 180373394 /nfs/dbraw/zinc/37/33/94/180373394.db2.gz OJKDDPHKWHDCFS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO O=C(Cc1ccoc1)NCCCn1cc[nH+]c1 ZINC000163510601 350524439 /nfs/dbraw/zinc/52/44/39/350524439.db2.gz IREQZFOEZKDDHU-UHFFFAOYSA-N 1 2 233.271 1.225 20 0 BDADLO CC/C=C\CNc1nc[nH+]c(N)c1Cl ZINC000384854301 350602439 /nfs/dbraw/zinc/60/24/39/350602439.db2.gz LNFCPRPRYSISFU-ARJAWSKDSA-N 1 2 212.684 1.512 20 0 BDADLO CC/C=C\CNc1[nH+]cnc(N)c1Cl ZINC000384854301 350602443 /nfs/dbraw/zinc/60/24/43/350602443.db2.gz LNFCPRPRYSISFU-ARJAWSKDSA-N 1 2 212.684 1.512 20 0 BDADLO Cc1c[nH]c(CN2CC(OC(F)F)C2)[nH+]1 ZINC000628307453 350603066 /nfs/dbraw/zinc/60/30/66/350603066.db2.gz KOCLLJMMDKWKEK-UHFFFAOYSA-N 1 2 217.219 1.142 20 0 BDADLO Cc1nnc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)o1 ZINC000376205124 180428877 /nfs/dbraw/zinc/42/88/77/180428877.db2.gz LSIIGUNWMPUKJF-MWLCHTKSSA-N 1 2 236.319 1.441 20 0 BDADLO COCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154990985 191115683 /nfs/dbraw/zinc/11/56/83/191115683.db2.gz RTYJUZJKOSHJFA-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO C/C=C/CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000637489044 350651642 /nfs/dbraw/zinc/65/16/42/350651642.db2.gz UTJXSYZEUFYOBX-NSCUHMNNSA-N 1 2 248.330 1.806 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2ccncc2F)[nH]1 ZINC000338364309 350681680 /nfs/dbraw/zinc/68/16/80/350681680.db2.gz FCEPFQJLKZXNSZ-QMMMGPOBSA-N 1 2 249.293 1.752 20 0 BDADLO CCc1cc(NCc2conc2C)nc[nH+]1 ZINC000397973111 362976291 /nfs/dbraw/zinc/97/62/91/362976291.db2.gz CHJPAEYILMIDFN-UHFFFAOYSA-N 1 2 218.260 1.369 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H]3CCCCN3C2=O)cc[nH+]1 ZINC000563323138 350818782 /nfs/dbraw/zinc/81/87/82/350818782.db2.gz GNHFBQPDVYJYMD-QWRGUYRKSA-N 1 2 246.314 1.350 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)[C@@H](C)CO ZINC000339631314 350770341 /nfs/dbraw/zinc/77/03/41/350770341.db2.gz VDNRMFYECBUZQL-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)[C@@H](C)CO ZINC000339631314 350770345 /nfs/dbraw/zinc/77/03/45/350770345.db2.gz VDNRMFYECBUZQL-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)s1)[C@H](C)CO ZINC000339634553 350770582 /nfs/dbraw/zinc/77/05/82/350770582.db2.gz ZCPNTJSABGCGAW-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)s1)[C@H](C)CO ZINC000339634553 350770584 /nfs/dbraw/zinc/77/05/84/350770584.db2.gz ZCPNTJSABGCGAW-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO Cc1nocc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000294821892 180504709 /nfs/dbraw/zinc/50/47/09/180504709.db2.gz XQXAIDQFGNJGDB-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000294821892 180504711 /nfs/dbraw/zinc/50/47/11/180504711.db2.gz XQXAIDQFGNJGDB-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccnc1 ZINC000563369775 350826280 /nfs/dbraw/zinc/82/62/80/350826280.db2.gz PHMIKXAGEYBSOK-SECBINFHSA-N 1 2 230.271 1.622 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccnc1 ZINC000563369775 350826282 /nfs/dbraw/zinc/82/62/82/350826282.db2.gz PHMIKXAGEYBSOK-SECBINFHSA-N 1 2 230.271 1.622 20 0 BDADLO CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052008555 350906524 /nfs/dbraw/zinc/90/65/24/350906524.db2.gz GFNHHPDRPZFENP-SNVBAGLBSA-N 1 2 237.303 1.256 20 0 BDADLO CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052008555 350906527 /nfs/dbraw/zinc/90/65/27/350906527.db2.gz GFNHHPDRPZFENP-SNVBAGLBSA-N 1 2 237.303 1.256 20 0 BDADLO COC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000616618257 350885206 /nfs/dbraw/zinc/88/52/06/350885206.db2.gz KRURDOYGIDNCPB-SECBINFHSA-N 1 2 209.249 1.286 20 0 BDADLO CCc1noc(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000129027808 350966113 /nfs/dbraw/zinc/96/61/13/350966113.db2.gz VILQWJCIQAVGBS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000129027808 350966115 /nfs/dbraw/zinc/96/61/15/350966115.db2.gz VILQWJCIQAVGBS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO Cc1occc1C[N@H+](C)CC1OCCO1 ZINC000272122525 180540138 /nfs/dbraw/zinc/54/01/38/180540138.db2.gz QPVRYSGFNRPBAO-UHFFFAOYSA-N 1 2 211.261 1.393 20 0 BDADLO Cc1occc1C[N@@H+](C)CC1OCCO1 ZINC000272122525 180540140 /nfs/dbraw/zinc/54/01/40/180540140.db2.gz QPVRYSGFNRPBAO-UHFFFAOYSA-N 1 2 211.261 1.393 20 0 BDADLO C[C@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000607144001 350944264 /nfs/dbraw/zinc/94/42/64/350944264.db2.gz WMKSMUXEHRYVBE-VIFPVBQESA-N 1 2 215.260 1.261 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398307621 351025644 /nfs/dbraw/zinc/02/56/44/351025644.db2.gz QJBXIGQRVUMDPQ-UHFFFAOYSA-N 1 2 216.288 1.657 20 0 BDADLO CCc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398307621 351025648 /nfs/dbraw/zinc/02/56/48/351025648.db2.gz QJBXIGQRVUMDPQ-UHFFFAOYSA-N 1 2 216.288 1.657 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cn[nH]n2)cc1 ZINC000398307621 351025652 /nfs/dbraw/zinc/02/56/52/351025652.db2.gz QJBXIGQRVUMDPQ-UHFFFAOYSA-N 1 2 216.288 1.657 20 0 BDADLO CNC(=O)CCCNc1[nH+]cccc1OC ZINC000398337762 351037079 /nfs/dbraw/zinc/03/70/79/351037079.db2.gz JBFAVCUAVKPBRN-UHFFFAOYSA-N 1 2 223.276 1.028 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cnc(C2CC2)s1 ZINC000623578192 363010293 /nfs/dbraw/zinc/01/02/93/363010293.db2.gz YXTSLTMQGGQRAK-UHFFFAOYSA-N 1 2 235.316 1.428 20 0 BDADLO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398395106 351130800 /nfs/dbraw/zinc/13/08/00/351130800.db2.gz YXQOAWFTVDTOQM-MWLCHTKSSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398395106 351130801 /nfs/dbraw/zinc/13/08/01/351130801.db2.gz YXQOAWFTVDTOQM-MWLCHTKSSA-N 1 2 220.320 1.887 20 0 BDADLO CC1(C)C[N@H+](Cc2cccnc2N)CCO1 ZINC000052721644 351138347 /nfs/dbraw/zinc/13/83/47/351138347.db2.gz ISONWJKVGHUWGN-UHFFFAOYSA-N 1 2 221.304 1.275 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccnc2N)CCO1 ZINC000052721644 351138351 /nfs/dbraw/zinc/13/83/51/351138351.db2.gz ISONWJKVGHUWGN-UHFFFAOYSA-N 1 2 221.304 1.275 20 0 BDADLO CC(C)([NH2+]Cc1ccc(=O)[nH]c1)C(F)F ZINC000631125028 351248159 /nfs/dbraw/zinc/24/81/59/351248159.db2.gz WYIZCMKZHNAGEO-UHFFFAOYSA-N 1 2 216.231 1.921 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628322133 351203952 /nfs/dbraw/zinc/20/39/52/351203952.db2.gz CTBRDTOKKISUAL-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628322133 351203955 /nfs/dbraw/zinc/20/39/55/351203955.db2.gz CTBRDTOKKISUAL-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)o1 ZINC000628337968 351281214 /nfs/dbraw/zinc/28/12/14/351281214.db2.gz WICDKKMTOFKQTK-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)o1 ZINC000628337968 351281219 /nfs/dbraw/zinc/28/12/19/351281219.db2.gz WICDKKMTOFKQTK-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO NC(=O)[C@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631107620 351291165 /nfs/dbraw/zinc/29/11/65/351291165.db2.gz YWTBRAWPKMZVIL-LBPRGKRZSA-N 1 2 241.294 1.546 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000266435540 351291298 /nfs/dbraw/zinc/29/12/98/351291298.db2.gz SCTZLXTYQZEDQP-SECBINFHSA-N 1 2 239.344 1.738 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000266435540 351291301 /nfs/dbraw/zinc/29/13/01/351291301.db2.gz SCTZLXTYQZEDQP-SECBINFHSA-N 1 2 239.344 1.738 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)n1cncn1 ZINC000265257937 351266358 /nfs/dbraw/zinc/26/63/58/351266358.db2.gz UTVRKCJUINFYBD-SECBINFHSA-N 1 2 245.286 1.435 20 0 BDADLO CN(C)c1ccccc1Cn1cc[nH+]c1 ZINC000072558630 351273215 /nfs/dbraw/zinc/27/32/15/351273215.db2.gz VZIGTYBLOKAOLW-UHFFFAOYSA-N 1 2 201.273 1.997 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cnc(C2CC2)o1 ZINC000628336590 351278838 /nfs/dbraw/zinc/27/88/38/351278838.db2.gz KRNKDQMFRFKYPD-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cnc(C2CC2)o1 ZINC000628336590 351278841 /nfs/dbraw/zinc/27/88/41/351278841.db2.gz KRNKDQMFRFKYPD-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO c1cc2c(nc(C3CC3)[nH+]c2N[C@@H]2CCOC2)[nH]1 ZINC000631178315 351375193 /nfs/dbraw/zinc/37/51/93/351375193.db2.gz GXVASVIXNPFEDG-SECBINFHSA-N 1 2 244.298 1.458 20 0 BDADLO CCc1cc(C[NH2+]Cc2cnc(C)nc2)on1 ZINC000607366310 351341752 /nfs/dbraw/zinc/34/17/52/351341752.db2.gz PBIMWKAMLOIMAL-UHFFFAOYSA-N 1 2 232.287 1.625 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000300857674 187486132 /nfs/dbraw/zinc/48/61/32/187486132.db2.gz IKTDGFGDHDSZDK-VHSXEESVSA-N 1 2 203.351 1.441 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCSC[C@@H]1C ZINC000300857674 187486136 /nfs/dbraw/zinc/48/61/36/187486136.db2.gz IKTDGFGDHDSZDK-VHSXEESVSA-N 1 2 203.351 1.441 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@@H](COC)C(=O)OC ZINC000336730947 351613612 /nfs/dbraw/zinc/61/36/12/351613612.db2.gz KKQGGNDYDVNPHB-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC(=O)N(C)CC ZINC000276633239 351639565 /nfs/dbraw/zinc/63/95/65/351639565.db2.gz VHTYAGCNASHPCR-UHFFFAOYSA-N 1 2 236.315 1.810 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC(O)CC1 ZINC000335892175 180621702 /nfs/dbraw/zinc/62/17/02/180621702.db2.gz MFEBLSCSOAPYBL-UHFFFAOYSA-N 1 2 249.289 1.674 20 0 BDADLO COC(=O)C[N@H+](CCc1ccncc1C)C1CC1 ZINC000577746488 366052108 /nfs/dbraw/zinc/05/21/08/366052108.db2.gz UOOYBUXWALQVTI-UHFFFAOYSA-N 1 2 248.326 1.570 20 0 BDADLO COC(=O)C[N@@H+](CCc1ccncc1C)C1CC1 ZINC000577746488 366052113 /nfs/dbraw/zinc/05/21/13/366052113.db2.gz UOOYBUXWALQVTI-UHFFFAOYSA-N 1 2 248.326 1.570 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)ns1 ZINC000637907418 351778435 /nfs/dbraw/zinc/77/84/35/351778435.db2.gz MBGTYQMFYQHLSG-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C)ns1 ZINC000637907418 351778437 /nfs/dbraw/zinc/77/84/37/351778437.db2.gz MBGTYQMFYQHLSG-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000177957942 366073520 /nfs/dbraw/zinc/07/35/20/366073520.db2.gz QYMXZVGXPHXKNR-JTQLQIEISA-N 1 2 238.335 1.146 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000607647148 351818850 /nfs/dbraw/zinc/81/88/50/351818850.db2.gz SSPVWZSTMVNPQN-SECBINFHSA-N 1 2 233.271 1.765 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ccns1 ZINC000637946966 351822439 /nfs/dbraw/zinc/82/24/39/351822439.db2.gz WPQVKJVYCRXUFX-UHFFFAOYSA-N 1 2 227.333 1.231 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ccns1 ZINC000637946966 351822441 /nfs/dbraw/zinc/82/24/41/351822441.db2.gz WPQVKJVYCRXUFX-UHFFFAOYSA-N 1 2 227.333 1.231 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc(F)ccc2F)nn1 ZINC000111404990 180650153 /nfs/dbraw/zinc/65/01/53/180650153.db2.gz DMEBDPUPOBZIOO-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000279346613 351809303 /nfs/dbraw/zinc/80/93/03/351809303.db2.gz FEFYFDSWALOVQU-SNVBAGLBSA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000618868122 351874958 /nfs/dbraw/zinc/87/49/58/351874958.db2.gz KPMQNEWNDGMSCY-LLVKDONJSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000618868122 351874961 /nfs/dbraw/zinc/87/49/61/351874961.db2.gz KPMQNEWNDGMSCY-LLVKDONJSA-N 1 2 221.304 1.647 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638053470 351931469 /nfs/dbraw/zinc/93/14/69/351931469.db2.gz BVSMGGTVJRCBQZ-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638053470 351931470 /nfs/dbraw/zinc/93/14/70/351931470.db2.gz BVSMGGTVJRCBQZ-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CN(Cc1cc[nH]n1)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638063473 351935471 /nfs/dbraw/zinc/93/54/71/351935471.db2.gz GKTAIIRJZKTLJI-GFCCVEGCSA-N 1 2 245.330 1.726 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c(F)c1 ZINC000638066714 351938977 /nfs/dbraw/zinc/93/89/77/351938977.db2.gz LSOUECIIEGKLQU-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)c(F)c1 ZINC000638066714 351938979 /nfs/dbraw/zinc/93/89/79/351938979.db2.gz LSOUECIIEGKLQU-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1Cc1cccc(O)c1 ZINC000282842023 351946119 /nfs/dbraw/zinc/94/61/19/351946119.db2.gz VTOWJJCOCBHBIM-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1Cc1cccc(O)c1 ZINC000282842023 351946123 /nfs/dbraw/zinc/94/61/23/351946123.db2.gz VTOWJJCOCBHBIM-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)Cc1cn[nH]c1 ZINC000638081907 351955552 /nfs/dbraw/zinc/95/55/52/351955552.db2.gz AOEDLPNZQXIAEQ-GFCCVEGCSA-N 1 2 245.330 1.726 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000638081907 351955555 /nfs/dbraw/zinc/95/55/55/351955555.db2.gz AOEDLPNZQXIAEQ-GFCCVEGCSA-N 1 2 245.330 1.726 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)sn1 ZINC000638089104 351967574 /nfs/dbraw/zinc/96/75/74/351967574.db2.gz SDHVRXQWYBMOLE-DTORHVGOSA-N 1 2 210.302 1.506 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)sn1 ZINC000638089104 351967575 /nfs/dbraw/zinc/96/75/75/351967575.db2.gz SDHVRXQWYBMOLE-DTORHVGOSA-N 1 2 210.302 1.506 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283587832 351978217 /nfs/dbraw/zinc/97/82/17/351978217.db2.gz XBOJLIAEKRCNNQ-NWALNABHSA-N 1 2 205.261 1.338 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC=CCC1 ZINC000613323962 363105557 /nfs/dbraw/zinc/10/55/57/363105557.db2.gz ODRPXJRAFUZHOO-JTQLQIEISA-N 1 2 231.299 1.303 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC=CCC1 ZINC000613323962 363105560 /nfs/dbraw/zinc/10/55/60/363105560.db2.gz ODRPXJRAFUZHOO-JTQLQIEISA-N 1 2 231.299 1.303 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411131208 191161476 /nfs/dbraw/zinc/16/14/76/191161476.db2.gz IMBYCVVPCCNLOJ-RYUDHWBXSA-N 1 2 237.274 1.786 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411131208 191161479 /nfs/dbraw/zinc/16/14/79/191161479.db2.gz IMBYCVVPCCNLOJ-RYUDHWBXSA-N 1 2 237.274 1.786 20 0 BDADLO Cc1ccc2ncc(C[N@H+](C)CC(N)=O)cc2c1 ZINC000411166886 191166321 /nfs/dbraw/zinc/16/63/21/191166321.db2.gz VJTORDJEGFQCDF-UHFFFAOYSA-N 1 2 243.310 1.460 20 0 BDADLO Cc1ccc2ncc(C[N@@H+](C)CC(N)=O)cc2c1 ZINC000411166886 191166322 /nfs/dbraw/zinc/16/63/22/191166322.db2.gz VJTORDJEGFQCDF-UHFFFAOYSA-N 1 2 243.310 1.460 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1cncs1 ZINC000411216829 191172463 /nfs/dbraw/zinc/17/24/63/191172463.db2.gz GDVMSOLICPYGNF-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1cncs1 ZINC000411216829 191172465 /nfs/dbraw/zinc/17/24/65/191172465.db2.gz GDVMSOLICPYGNF-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000293276488 352344575 /nfs/dbraw/zinc/34/45/75/352344575.db2.gz COCDXOXZHCGCHC-VHSXEESVSA-N 1 2 237.303 1.231 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H]2COC)cs1 ZINC000293443059 352350585 /nfs/dbraw/zinc/35/05/85/352350585.db2.gz CAUKYOMNCLFKIK-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H]2COC)cs1 ZINC000293443059 352350591 /nfs/dbraw/zinc/35/05/91/352350591.db2.gz CAUKYOMNCLFKIK-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)OC ZINC000411438435 191186730 /nfs/dbraw/zinc/18/67/30/191186730.db2.gz KFILZJQGYBPQBC-GWCFXTLKSA-N 1 2 243.347 1.875 20 0 BDADLO CCCCS(=O)(=O)NCc1[nH+]ccn1CC ZINC000295427654 352411930 /nfs/dbraw/zinc/41/19/30/352411930.db2.gz IYYOCWMQMOTACH-UHFFFAOYSA-N 1 2 245.348 1.123 20 0 BDADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCCO ZINC000411552143 191193500 /nfs/dbraw/zinc/19/35/00/191193500.db2.gz NIJUWLPZGKZKOZ-ZDUSSCGKSA-N 1 2 238.331 1.171 20 0 BDADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCCO ZINC000411552143 191193503 /nfs/dbraw/zinc/19/35/03/191193503.db2.gz NIJUWLPZGKZKOZ-ZDUSSCGKSA-N 1 2 238.331 1.171 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000368968184 180745096 /nfs/dbraw/zinc/74/50/96/180745096.db2.gz HCCQSDFVMROMMK-VHSXEESVSA-N 1 2 245.282 1.433 20 0 BDADLO C[C@H](O)C[N@H+](CCC1(O)CCC1)CC(F)F ZINC000411794408 191211825 /nfs/dbraw/zinc/21/18/25/191211825.db2.gz PHIYGWMAKTXXFL-VIFPVBQESA-N 1 2 237.290 1.239 20 0 BDADLO C[C@H](O)C[N@@H+](CCC1(O)CCC1)CC(F)F ZINC000411794408 191211827 /nfs/dbraw/zinc/21/18/27/191211827.db2.gz PHIYGWMAKTXXFL-VIFPVBQESA-N 1 2 237.290 1.239 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CCC3CC3)CCO2)n[nH]1 ZINC000607967710 352488152 /nfs/dbraw/zinc/48/81/52/352488152.db2.gz JCSQSATXEIJJJF-LLVKDONJSA-N 1 2 236.319 1.287 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CCC3CC3)CCO2)n[nH]1 ZINC000607967710 352488154 /nfs/dbraw/zinc/48/81/54/352488154.db2.gz JCSQSATXEIJJJF-LLVKDONJSA-N 1 2 236.319 1.287 20 0 BDADLO CCCCN1CC[NH+](C(COC)COC)CC1 ZINC000411840469 191215501 /nfs/dbraw/zinc/21/55/01/191215501.db2.gz DBVREDJKTWQLHZ-UHFFFAOYSA-N 1 2 244.379 1.066 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)o1 ZINC000638688058 352526635 /nfs/dbraw/zinc/52/66/35/352526635.db2.gz DOTYQGROMLSAFT-FBIMIBRVSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000411837898 191216156 /nfs/dbraw/zinc/21/61/56/191216156.db2.gz AKVDTJHSQJMUJX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000411837898 191216159 /nfs/dbraw/zinc/21/61/59/191216159.db2.gz AKVDTJHSQJMUJX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cocc1C)CC2 ZINC000626417344 352602801 /nfs/dbraw/zinc/60/28/01/352602801.db2.gz NBWDCFVVGOUHNO-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccccc1F ZINC000041566912 352616247 /nfs/dbraw/zinc/61/62/47/352616247.db2.gz GAWQEZIQJGYPTE-UHFFFAOYSA-N 1 2 233.246 1.489 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000092851548 180769214 /nfs/dbraw/zinc/76/92/14/180769214.db2.gz CSPKDGLBJCXYHF-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CCCCc1noc(C[NH+]2CCC(O)CC2)n1 ZINC000042625096 352623704 /nfs/dbraw/zinc/62/37/04/352623704.db2.gz ONMRGKYLWDHKLM-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO Cc1nnsc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000638743067 352675561 /nfs/dbraw/zinc/67/55/61/352675561.db2.gz ICELDXHIJDUNJY-VIFPVBQESA-N 1 2 249.343 1.217 20 0 BDADLO Cc1nc(N2CCC[C@@H]2c2ncon2)cc[nH+]1 ZINC000608081529 352733604 /nfs/dbraw/zinc/73/36/04/352733604.db2.gz RYOWUZUORZQJNU-SECBINFHSA-N 1 2 231.259 1.510 20 0 BDADLO CCc1ccnc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000342095861 352737133 /nfs/dbraw/zinc/73/71/33/352737133.db2.gz MSFSQHZMYFJXIQ-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CCc1ccnc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000342095861 352737139 /nfs/dbraw/zinc/73/71/39/352737139.db2.gz MSFSQHZMYFJXIQ-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCCF ZINC000334181696 352770016 /nfs/dbraw/zinc/77/00/16/352770016.db2.gz DXYORXMOJJZKEA-UHFFFAOYSA-N 1 2 212.253 1.425 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCCC1 ZINC000334214384 352813101 /nfs/dbraw/zinc/81/31/01/352813101.db2.gz FHTMRERZJAJYPS-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCCC1 ZINC000334214384 352813104 /nfs/dbraw/zinc/81/31/04/352813104.db2.gz FHTMRERZJAJYPS-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1CC[N@H+](CCC(=O)N(C)C)CC1(F)F ZINC000334194699 352786809 /nfs/dbraw/zinc/78/68/09/352786809.db2.gz VJACZVNTDXSKSH-SECBINFHSA-N 1 2 234.290 1.442 20 0 BDADLO C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)CC1(F)F ZINC000334194699 352786812 /nfs/dbraw/zinc/78/68/12/352786812.db2.gz VJACZVNTDXSKSH-SECBINFHSA-N 1 2 234.290 1.442 20 0 BDADLO CC[C@](C)(O)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412070568 191251598 /nfs/dbraw/zinc/25/15/98/191251598.db2.gz IOAQYMUKJAWKCO-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@](C)(O)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412070568 191251601 /nfs/dbraw/zinc/25/16/01/191251601.db2.gz IOAQYMUKJAWKCO-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOCC12CC2 ZINC000334246482 352837151 /nfs/dbraw/zinc/83/71/51/352837151.db2.gz UPJQYGCSQZSFDM-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1oncc1C[N@H+]1CCOCC12CC2 ZINC000334246482 352837153 /nfs/dbraw/zinc/83/71/53/352837153.db2.gz UPJQYGCSQZSFDM-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cn1nccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334292703 352930048 /nfs/dbraw/zinc/93/00/48/352930048.db2.gz OMLUAOUXSSSACP-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO CCc1nc(N2CCN(C)C(=O)[C@H]2C)cc(C)[nH+]1 ZINC000343026698 352937691 /nfs/dbraw/zinc/93/76/91/352937691.db2.gz OOIBWGHKQABRKL-SNVBAGLBSA-N 1 2 248.330 1.014 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@H]2F)c[nH+]1 ZINC000334331590 352967695 /nfs/dbraw/zinc/96/76/95/352967695.db2.gz LIJUJPDYAFGPCB-SFYZADRCSA-N 1 2 211.240 1.339 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334381775 353047913 /nfs/dbraw/zinc/04/79/13/353047913.db2.gz JWRSLOKRNWXSTQ-DGCLKSJQSA-N 1 2 247.342 1.702 20 0 BDADLO CCCC[C@@H](COC)NC(=O)Cn1cc[nH+]c1 ZINC000073822627 353113890 /nfs/dbraw/zinc/11/38/90/353113890.db2.gz GYANLIUHNWDJJB-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO CC(C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000073904672 353135683 /nfs/dbraw/zinc/13/56/83/353135683.db2.gz UYHKRPJYFBLGPN-SNVBAGLBSA-N 1 2 209.293 1.291 20 0 BDADLO C[C@H]1CC(NC(=O)Cn2cc[nH+]c2)C[C@H](C)C1 ZINC000073907411 353137296 /nfs/dbraw/zinc/13/72/96/353137296.db2.gz SNKUWRYSNKMSPK-GHMZBOCLSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000353388596 188061066 /nfs/dbraw/zinc/06/10/66/188061066.db2.gz ZXLILIDNSJAQNH-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000353388596 188061068 /nfs/dbraw/zinc/06/10/68/188061068.db2.gz ZXLILIDNSJAQNH-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000355258923 188063872 /nfs/dbraw/zinc/06/38/72/188063872.db2.gz WLXBAFSUNWJNII-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000356739612 188065223 /nfs/dbraw/zinc/06/52/23/188065223.db2.gz OAHKCGIFXXKMRC-LLVKDONJSA-N 1 2 238.331 1.967 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000356739612 188065225 /nfs/dbraw/zinc/06/52/25/188065225.db2.gz OAHKCGIFXXKMRC-LLVKDONJSA-N 1 2 238.331 1.967 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000361422811 188070776 /nfs/dbraw/zinc/07/07/76/188070776.db2.gz PMCYSWDZUYUUGG-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)N(C)C1CC1 ZINC000361422811 188070778 /nfs/dbraw/zinc/07/07/78/188070778.db2.gz PMCYSWDZUYUUGG-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CC(C)(C)[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000361537896 188072066 /nfs/dbraw/zinc/07/20/66/188072066.db2.gz ALBQMRGTOGUMRT-SECBINFHSA-N 1 2 238.335 1.768 20 0 BDADLO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000361537896 188072067 /nfs/dbraw/zinc/07/20/67/188072067.db2.gz ALBQMRGTOGUMRT-SECBINFHSA-N 1 2 238.335 1.768 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000368392703 188072722 /nfs/dbraw/zinc/07/27/22/188072722.db2.gz JYOKBDRXCQEAJV-GHMZBOCLSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000368392703 188072724 /nfs/dbraw/zinc/07/27/24/188072724.db2.gz JYOKBDRXCQEAJV-GHMZBOCLSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000368392703 188072725 /nfs/dbraw/zinc/07/27/25/188072725.db2.gz JYOKBDRXCQEAJV-GHMZBOCLSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000368392703 188072727 /nfs/dbraw/zinc/07/27/27/188072727.db2.gz JYOKBDRXCQEAJV-GHMZBOCLSA-N 1 2 238.335 1.349 20 0 BDADLO O=C1N=NC(C[N@@H+]2CC3CCC2CC3)S1 ZINC000367462584 188072895 /nfs/dbraw/zinc/07/28/95/188072895.db2.gz GVUOVHSOKGYRCR-UHFFFAOYSA-N 1 2 225.317 1.618 20 0 BDADLO O=C1N=NC(C[N@H+]2CC3CCC2CC3)S1 ZINC000367462584 188072897 /nfs/dbraw/zinc/07/28/97/188072897.db2.gz GVUOVHSOKGYRCR-UHFFFAOYSA-N 1 2 225.317 1.618 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372752667 188075067 /nfs/dbraw/zinc/07/50/67/188075067.db2.gz SLALMAMNIXYGTJ-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)=CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374354282 188076699 /nfs/dbraw/zinc/07/66/99/188076699.db2.gz DVKLXIQCQPIJCM-NSHDSACASA-N 1 2 233.315 1.702 20 0 BDADLO c1nnc([C@H]2CCCC[N@H+]2C[C@@H]2CCCO2)[nH]1 ZINC000329395700 538108977 /nfs/dbraw/zinc/10/89/77/538108977.db2.gz VSJIADOMKKJQIO-WDEREUQCSA-N 1 2 236.319 1.511 20 0 BDADLO c1nnc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCO2)[nH]1 ZINC000329395700 538108978 /nfs/dbraw/zinc/10/89/78/538108978.db2.gz VSJIADOMKKJQIO-WDEREUQCSA-N 1 2 236.319 1.511 20 0 BDADLO CC(C)(C)c1cnc(C[NH+]2CCC(O)CC2)o1 ZINC000041366981 188083617 /nfs/dbraw/zinc/08/36/17/188083617.db2.gz BMTKAZQZMFGDBY-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)CCCCO ZINC000349919630 188085181 /nfs/dbraw/zinc/08/51/81/188085181.db2.gz HHHGVQJJEPZCTF-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)CCCCO ZINC000349919630 188085183 /nfs/dbraw/zinc/08/51/83/188085183.db2.gz HHHGVQJJEPZCTF-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000277521257 188095159 /nfs/dbraw/zinc/09/51/59/188095159.db2.gz VEGOGVUNJFTOIR-WCBMZHEXSA-N 1 2 247.302 1.200 20 0 BDADLO c1coc(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000294048983 188097078 /nfs/dbraw/zinc/09/70/78/188097078.db2.gz JEDYLMPVKVLPAE-JTQLQIEISA-N 1 2 203.245 1.711 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC000577854263 366085992 /nfs/dbraw/zinc/08/59/92/366085992.db2.gz HRXLFJWEVNADHA-WISYIIOYSA-N 1 2 233.315 1.749 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049423870 188124208 /nfs/dbraw/zinc/12/42/08/188124208.db2.gz PLLKBLHSDPYFSR-SNVBAGLBSA-N 1 2 237.303 1.511 20 0 BDADLO COc1ncccc1C[NH2+]Cc1cnccn1 ZINC000054766432 188126961 /nfs/dbraw/zinc/12/69/61/188126961.db2.gz HJDBDRCAHYDVPT-UHFFFAOYSA-N 1 2 230.271 1.170 20 0 BDADLO CNc1ccc(Nc2ncc(C)cn2)c[nH+]1 ZINC000381473168 538110687 /nfs/dbraw/zinc/11/06/87/538110687.db2.gz PKZRGWHMYFRVHC-UHFFFAOYSA-N 1 2 215.260 1.387 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H]1CCOC1)C(=O)OCC ZINC000309647034 188168922 /nfs/dbraw/zinc/16/89/22/188168922.db2.gz MPOGTCLDOBVQNF-ZSZRGSJWSA-N 1 2 227.304 1.263 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000189798246 188172552 /nfs/dbraw/zinc/17/25/52/188172552.db2.gz DTUQMYCFMXKCGH-CYBMUJFWSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000189798246 188172554 /nfs/dbraw/zinc/17/25/54/188172554.db2.gz DTUQMYCFMXKCGH-CYBMUJFWSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)N(C)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000191146588 188173110 /nfs/dbraw/zinc/17/31/10/188173110.db2.gz AGHJKACSSBZJFK-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CC(C)c1nc(N(C)Cc2cnn(C)c2)cc[nH+]1 ZINC000110115195 188176010 /nfs/dbraw/zinc/17/60/10/188176010.db2.gz KIXJIHULIJLFKT-UHFFFAOYSA-N 1 2 245.330 1.970 20 0 BDADLO COc1ccc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000336699062 188182903 /nfs/dbraw/zinc/18/29/03/188182903.db2.gz DYGAXMQZPPDWEG-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000337209243 188184909 /nfs/dbraw/zinc/18/49/09/188184909.db2.gz ANJOJWPFSGDYFR-IAQYHMDHSA-N 1 2 233.377 1.112 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000337209243 188184911 /nfs/dbraw/zinc/18/49/11/188184911.db2.gz ANJOJWPFSGDYFR-IAQYHMDHSA-N 1 2 233.377 1.112 20 0 BDADLO FC(F)CN(CC[NH+]1CCOCC1)C1CC1 ZINC000336710513 180901157 /nfs/dbraw/zinc/90/11/57/180901157.db2.gz ZKOSWKDMYZONSQ-UHFFFAOYSA-N 1 2 234.290 1.048 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2conc2C)[C@H](C)C1 ZINC000295278763 188213723 /nfs/dbraw/zinc/21/37/23/188213723.db2.gz IGEDFCCKZHQSTO-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2conc2C)[C@H](C)C1 ZINC000295278763 188213724 /nfs/dbraw/zinc/21/37/24/188213724.db2.gz IGEDFCCKZHQSTO-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000134559794 538113428 /nfs/dbraw/zinc/11/34/28/538113428.db2.gz VMOFFBHETXKXPG-WPRPVWTQSA-N 1 2 209.293 1.548 20 0 BDADLO CC1(C)C[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000299134897 188215103 /nfs/dbraw/zinc/21/51/03/188215103.db2.gz NPYNGJVOXGUHRI-LLVKDONJSA-N 1 2 243.310 1.792 20 0 BDADLO CC(C)c1nc(N(CCO)C2CC2)cc[nH+]1 ZINC000128708013 188221236 /nfs/dbraw/zinc/22/12/36/188221236.db2.gz DVSZTMXYSXQROA-UHFFFAOYSA-N 1 2 221.304 1.561 20 0 BDADLO CC(=O)[C@H](C)SCCCn1cc[nH+]c1 ZINC000273518062 188200388 /nfs/dbraw/zinc/20/03/88/188200388.db2.gz YAZBQURBMGQSCI-JTQLQIEISA-N 1 2 212.318 1.984 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000275004853 188200897 /nfs/dbraw/zinc/20/08/97/188200897.db2.gz QEUYHTYRQNHIKK-JOYOIKCWSA-N 1 2 221.304 1.708 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(O)C2)cc1F ZINC000084356997 538113826 /nfs/dbraw/zinc/11/38/26/538113826.db2.gz FGSSOMVXNAIJTR-UHFFFAOYSA-N 1 2 225.263 1.401 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000278617759 188204137 /nfs/dbraw/zinc/20/41/37/188204137.db2.gz HCGFDGFIJRMDNU-SNVBAGLBSA-N 1 2 207.277 1.204 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000278617759 188204139 /nfs/dbraw/zinc/20/41/39/188204139.db2.gz HCGFDGFIJRMDNU-SNVBAGLBSA-N 1 2 207.277 1.204 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](O)C(C)C ZINC000134565195 538113060 /nfs/dbraw/zinc/11/30/60/538113060.db2.gz ADBYZBKPNHLUCG-KCJUWKMLSA-N 1 2 211.309 1.386 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000366603797 188206473 /nfs/dbraw/zinc/20/64/73/188206473.db2.gz RKIWJIHQFQKURL-ZJUUUORDSA-N 1 2 225.292 1.223 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000366603797 188206475 /nfs/dbraw/zinc/20/64/75/188206475.db2.gz RKIWJIHQFQKURL-ZJUUUORDSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@H]2CCCO2)cc[nH+]1 ZINC000286494229 188208357 /nfs/dbraw/zinc/20/83/57/188208357.db2.gz PUJQQPWOBXBDBY-VXGBXAGGSA-N 1 2 233.315 1.933 20 0 BDADLO Cn1c[nH+]cc1CCSc1nnc(C2CC2)[nH]1 ZINC000287659515 188209332 /nfs/dbraw/zinc/20/93/32/188209332.db2.gz XHVVRGSTRQJQAI-UHFFFAOYSA-N 1 2 249.343 1.750 20 0 BDADLO Cn1c[nH+]cc1CCSc1nc(C2CC2)n[nH]1 ZINC000287659515 188209335 /nfs/dbraw/zinc/20/93/35/188209335.db2.gz XHVVRGSTRQJQAI-UHFFFAOYSA-N 1 2 249.343 1.750 20 0 BDADLO Cn1c[nH+]cc1CCSc1n[nH]c(C2CC2)n1 ZINC000287659515 188209337 /nfs/dbraw/zinc/20/93/37/188209337.db2.gz XHVVRGSTRQJQAI-UHFFFAOYSA-N 1 2 249.343 1.750 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000288425420 188209696 /nfs/dbraw/zinc/20/96/96/188209696.db2.gz BHIHWWIDVVASAO-SMDDNHRTSA-N 1 2 245.326 1.930 20 0 BDADLO COc1cc[nH+]cc1CN1C(=O)[C@H](C)[C@H](C)C1=O ZINC000288607382 188209879 /nfs/dbraw/zinc/20/98/79/188209879.db2.gz NDWAUDPFJYFXMV-DTORHVGOSA-N 1 2 248.282 1.231 20 0 BDADLO FC1CN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000639037637 353309958 /nfs/dbraw/zinc/30/99/58/353309958.db2.gz JDYIGPFVUKOCHR-UHFFFAOYSA-N 1 2 224.235 1.007 20 0 BDADLO CNC(=O)N1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000084696798 538114864 /nfs/dbraw/zinc/11/48/64/538114864.db2.gz FFTZCCRCBFCFGX-LLVKDONJSA-N 1 2 248.330 1.100 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000061002071 324054399 /nfs/dbraw/zinc/05/43/99/324054399.db2.gz YWPKJLZJPGBROY-UHFFFAOYSA-N 1 2 226.345 1.705 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000061002071 324054403 /nfs/dbraw/zinc/05/44/03/324054403.db2.gz YWPKJLZJPGBROY-UHFFFAOYSA-N 1 2 226.345 1.705 20 0 BDADLO CC(C)c1nc(N(C)[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000343286098 353355239 /nfs/dbraw/zinc/35/52/39/353355239.db2.gz METLEZUWTUHSBV-WDEREUQCSA-N 1 2 235.331 1.950 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](O)C2(C)C)c(C#N)c[nH+]1 ZINC000398962457 353388461 /nfs/dbraw/zinc/38/84/61/353388461.db2.gz NZARFCAFCDRZET-RYUDHWBXSA-N 1 2 231.299 1.255 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091577989 353409774 /nfs/dbraw/zinc/40/97/74/353409774.db2.gz MSVZLHQUIJIJTJ-SNVBAGLBSA-N 1 2 238.335 1.356 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091577989 353409778 /nfs/dbraw/zinc/40/97/78/353409778.db2.gz MSVZLHQUIJIJTJ-SNVBAGLBSA-N 1 2 238.335 1.356 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccns2)[C@H](C(N)=O)C1 ZINC000639088893 353442436 /nfs/dbraw/zinc/44/24/36/353442436.db2.gz HSETZUJZFZYEAA-WPRPVWTQSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccns2)[C@H](C(N)=O)C1 ZINC000639088893 353442438 /nfs/dbraw/zinc/44/24/38/353442438.db2.gz HSETZUJZFZYEAA-WPRPVWTQSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccns2)[C@@H](C(N)=O)C1 ZINC000639088892 353442638 /nfs/dbraw/zinc/44/26/38/353442638.db2.gz HSETZUJZFZYEAA-WCBMZHEXSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccns2)[C@@H](C(N)=O)C1 ZINC000639088892 353442639 /nfs/dbraw/zinc/44/26/39/353442639.db2.gz HSETZUJZFZYEAA-WCBMZHEXSA-N 1 2 239.344 1.229 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000398388765 363229179 /nfs/dbraw/zinc/22/91/79/363229179.db2.gz WGGBPADEVQETTL-QWRGUYRKSA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000398388765 363229180 /nfs/dbraw/zinc/22/91/80/363229180.db2.gz WGGBPADEVQETTL-QWRGUYRKSA-N 1 2 220.320 1.863 20 0 BDADLO CC[C@](C)(C[N@@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639099342 353504954 /nfs/dbraw/zinc/50/49/54/353504954.db2.gz PEECNVVBGYAADR-CMPLNLGQSA-N 1 2 238.335 1.470 20 0 BDADLO CC[C@](C)(C[N@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639099342 353504956 /nfs/dbraw/zinc/50/49/56/353504956.db2.gz PEECNVVBGYAADR-CMPLNLGQSA-N 1 2 238.335 1.470 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000193440178 353592978 /nfs/dbraw/zinc/59/29/78/353592978.db2.gz LSHQZKBKXLLTFF-SNVBAGLBSA-N 1 2 240.351 1.137 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000193440178 353592980 /nfs/dbraw/zinc/59/29/80/353592980.db2.gz LSHQZKBKXLLTFF-SNVBAGLBSA-N 1 2 240.351 1.137 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)no1 ZINC000366813537 353564838 /nfs/dbraw/zinc/56/48/38/353564838.db2.gz WTBSSSYOHAKMCW-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)no1 ZINC000366813537 353564843 /nfs/dbraw/zinc/56/48/43/353564843.db2.gz WTBSSSYOHAKMCW-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@@H]1CCOC1 ZINC000162967447 324175603 /nfs/dbraw/zinc/17/56/03/324175603.db2.gz BSVDEGRXDWNREC-NXEZZACHSA-N 1 2 222.288 1.927 20 0 BDADLO O=C1NCC[C@H]1CC[N@H+]1CCCC[C@H]1C(F)F ZINC000577883878 366095804 /nfs/dbraw/zinc/09/58/04/366095804.db2.gz VVDFAQFOHPCWAE-UWVGGRQHSA-N 1 2 246.301 1.632 20 0 BDADLO O=C1NCC[C@H]1CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000577883878 366095811 /nfs/dbraw/zinc/09/58/11/366095811.db2.gz VVDFAQFOHPCWAE-UWVGGRQHSA-N 1 2 246.301 1.632 20 0 BDADLO O=C1NCC[C@@H]1CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000577883877 366095946 /nfs/dbraw/zinc/09/59/46/366095946.db2.gz VVDFAQFOHPCWAE-NXEZZACHSA-N 1 2 246.301 1.632 20 0 BDADLO O=C1NCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000577883877 366095949 /nfs/dbraw/zinc/09/59/49/366095949.db2.gz VVDFAQFOHPCWAE-NXEZZACHSA-N 1 2 246.301 1.632 20 0 BDADLO C[N@@H+]1CCC[C@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000194635280 353687779 /nfs/dbraw/zinc/68/77/79/353687779.db2.gz GSRFMJZBIPWGAW-ZETCQYMHSA-N 1 2 228.321 1.087 20 0 BDADLO C[N@H+]1CCC[C@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000194635280 353687781 /nfs/dbraw/zinc/68/77/81/353687781.db2.gz GSRFMJZBIPWGAW-ZETCQYMHSA-N 1 2 228.321 1.087 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343322966 353690429 /nfs/dbraw/zinc/69/04/29/353690429.db2.gz NZYZJTRSMSNGSZ-VWYCJHECSA-N 1 2 233.315 1.218 20 0 BDADLO CC(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000074057362 353693431 /nfs/dbraw/zinc/69/34/31/353693431.db2.gz RXMPAZHSJQYEMN-UHFFFAOYSA-N 1 2 235.331 1.778 20 0 BDADLO CCc1cc(NCc2cccc(O)c2)nc[nH+]1 ZINC000383513345 353711338 /nfs/dbraw/zinc/71/13/38/353711338.db2.gz NOMWVTHWMUNJRT-UHFFFAOYSA-N 1 2 229.283 1.779 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccns2)cnn1C ZINC000639116353 353735566 /nfs/dbraw/zinc/73/55/66/353735566.db2.gz HYAWYZFUQLMJKD-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccns2)cnn1C ZINC000639116353 353735569 /nfs/dbraw/zinc/73/55/69/353735569.db2.gz HYAWYZFUQLMJKD-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)no1 ZINC000580343429 353764973 /nfs/dbraw/zinc/76/49/73/353764973.db2.gz OOJOPXXXWURJSM-RKDXNWHRSA-N 1 2 239.319 1.271 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000343473150 353901058 /nfs/dbraw/zinc/90/10/58/353901058.db2.gz RJPILHHWVNRIDS-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000343473150 353901061 /nfs/dbraw/zinc/90/10/61/353901061.db2.gz RJPILHHWVNRIDS-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO COc1cncc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000343710172 353968470 /nfs/dbraw/zinc/96/84/70/353968470.db2.gz DGACLVQNRNKABN-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cncc(C[N@H+]2CCOCC23CCC3)c1 ZINC000343710172 353968472 /nfs/dbraw/zinc/96/84/72/353968472.db2.gz DGACLVQNRNKABN-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000343743898 353970292 /nfs/dbraw/zinc/97/02/92/353970292.db2.gz KRZGWQYWTLIWGQ-SUNKGSAMSA-N 1 2 215.362 1.794 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000343743898 353970295 /nfs/dbraw/zinc/97/02/95/353970295.db2.gz KRZGWQYWTLIWGQ-SUNKGSAMSA-N 1 2 215.362 1.794 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000334549374 353972017 /nfs/dbraw/zinc/97/20/17/353972017.db2.gz RQWXJWRACWNMER-MRVPVSSYSA-N 1 2 243.257 1.472 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@H]1CCCO1 ZINC000334548031 353986307 /nfs/dbraw/zinc/98/63/07/353986307.db2.gz LMERNWXOFWBGMS-BMIGLBTASA-N 1 2 231.361 1.008 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@H]1CCCO1 ZINC000334548031 353986312 /nfs/dbraw/zinc/98/63/12/353986312.db2.gz LMERNWXOFWBGMS-BMIGLBTASA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000334552750 353994344 /nfs/dbraw/zinc/99/43/44/353994344.db2.gz IUWGLJIGKYADBP-LLVKDONJSA-N 1 2 232.327 1.791 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000334552750 353994347 /nfs/dbraw/zinc/99/43/47/353994347.db2.gz IUWGLJIGKYADBP-LLVKDONJSA-N 1 2 232.327 1.791 20 0 BDADLO CN(CC(N)=O)c1[nH+]c2cccc(F)c2n1C ZINC000334555066 353999404 /nfs/dbraw/zinc/99/94/04/353999404.db2.gz FYIIBDCIJKIIQS-UHFFFAOYSA-N 1 2 236.250 1.684 20 0 BDADLO COc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000343796182 353999933 /nfs/dbraw/zinc/99/99/33/353999933.db2.gz NKSPVNOTXCBVIO-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000343796182 353999937 /nfs/dbraw/zinc/99/99/37/353999937.db2.gz NKSPVNOTXCBVIO-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccn1C ZINC000334555755 354001291 /nfs/dbraw/zinc/00/12/91/354001291.db2.gz SLKSCAPJWKCDGC-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccn1C ZINC000334555755 354001295 /nfs/dbraw/zinc/00/12/95/354001295.db2.gz SLKSCAPJWKCDGC-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO CO[C@H](C)CN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000343810492 354011695 /nfs/dbraw/zinc/01/16/95/354011695.db2.gz OUKIEOLFINHYKZ-MRVPVSSYSA-N 1 2 234.303 1.737 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000343842883 354019668 /nfs/dbraw/zinc/01/96/68/354019668.db2.gz SJGPJSTUTQOCCS-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO Cc1nnc([C@H](C)Nc2nc(C)[nH+]c(C)c2C)[nH]1 ZINC000343907137 354036768 /nfs/dbraw/zinc/03/67/68/354036768.db2.gz FJOUAKAFOPRIER-QMMMGPOBSA-N 1 2 246.318 1.423 20 0 BDADLO Cc1nc([C@H](C)Nc2nc(C)[nH+]c(C)c2C)n[nH]1 ZINC000343907137 354036769 /nfs/dbraw/zinc/03/67/69/354036769.db2.gz FJOUAKAFOPRIER-QMMMGPOBSA-N 1 2 246.318 1.423 20 0 BDADLO CCC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(N)=O ZINC000343908917 354037574 /nfs/dbraw/zinc/03/75/74/354037574.db2.gz IQDKIBSBCIJVRZ-SECBINFHSA-N 1 2 236.319 1.088 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000343963900 354074951 /nfs/dbraw/zinc/07/49/51/354074951.db2.gz QEGUXYNCKQGHJS-UWVGGRQHSA-N 1 2 207.277 1.188 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc[nH+]c(C(C)C)n2)[nH]1 ZINC000343931276 354045851 /nfs/dbraw/zinc/04/58/51/354045851.db2.gz FKFIXAPRMYOCIG-MRVPVSSYSA-N 1 2 246.318 1.622 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343937375 354047426 /nfs/dbraw/zinc/04/74/26/354047426.db2.gz YCMDFAMZNWFKGT-CKYFFXLPSA-N 1 2 233.315 1.360 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000343941610 354049037 /nfs/dbraw/zinc/04/90/37/354049037.db2.gz OPCFFYCCIYVNDT-ZIAGYGMSSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000343941610 354049039 /nfs/dbraw/zinc/04/90/39/354049039.db2.gz OPCFFYCCIYVNDT-ZIAGYGMSSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000343941608 354049543 /nfs/dbraw/zinc/04/95/43/354049543.db2.gz OPCFFYCCIYVNDT-UONOGXRCSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000343941608 354049546 /nfs/dbraw/zinc/04/95/46/354049546.db2.gz OPCFFYCCIYVNDT-UONOGXRCSA-N 1 2 248.326 1.844 20 0 BDADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC(C)(C)C1 ZINC000344085637 354137272 /nfs/dbraw/zinc/13/72/72/354137272.db2.gz SRAWPKHYZALLAP-MRVPVSSYSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC(C)(C)C1 ZINC000344085637 354137275 /nfs/dbraw/zinc/13/72/75/354137275.db2.gz SRAWPKHYZALLAP-MRVPVSSYSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccnc(N)c1 ZINC000334561473 354115422 /nfs/dbraw/zinc/11/54/22/354115422.db2.gz LNQYDGDEJGZXFQ-NSHDSACASA-N 1 2 242.326 1.872 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccnc(N)c1 ZINC000334561473 354115424 /nfs/dbraw/zinc/11/54/24/354115424.db2.gz LNQYDGDEJGZXFQ-NSHDSACASA-N 1 2 242.326 1.872 20 0 BDADLO C[C@H]1C[N@H+](CCc2cncs2)CCC1=O ZINC000334562043 354117327 /nfs/dbraw/zinc/11/73/27/354117327.db2.gz XHLPOQAWCMIZRT-VIFPVBQESA-N 1 2 224.329 1.597 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cncs2)CCC1=O ZINC000334562043 354117329 /nfs/dbraw/zinc/11/73/29/354117329.db2.gz XHLPOQAWCMIZRT-VIFPVBQESA-N 1 2 224.329 1.597 20 0 BDADLO COc1cc(C)ccc1C[NH+]1CCOCC1 ZINC000334578171 354122087 /nfs/dbraw/zinc/12/20/87/354122087.db2.gz UTFKIBCFQAEYJU-UHFFFAOYSA-N 1 2 221.300 1.836 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCCF)C2)[nH]1 ZINC000344107125 354160111 /nfs/dbraw/zinc/16/01/11/354160111.db2.gz PUBTYIRDAMPJSU-MRVPVSSYSA-N 1 2 228.271 1.049 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCCF)C2)[nH]1 ZINC000344107125 354160113 /nfs/dbraw/zinc/16/01/13/354160113.db2.gz PUBTYIRDAMPJSU-MRVPVSSYSA-N 1 2 228.271 1.049 20 0 BDADLO Cn1cc(C[NH2+][C@H](CCO)c2ccccc2)nn1 ZINC000344456216 354263401 /nfs/dbraw/zinc/26/34/01/354263401.db2.gz HOYSZDHDJMPKDP-CYBMUJFWSA-N 1 2 246.314 1.028 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000334604364 354284421 /nfs/dbraw/zinc/28/44/21/354284421.db2.gz OJSZKCSKKSPHKJ-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000334604364 354284424 /nfs/dbraw/zinc/28/44/24/354284424.db2.gz OJSZKCSKKSPHKJ-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](C)OC(C)(C)C1 ZINC000334604364 354284426 /nfs/dbraw/zinc/28/44/26/354284426.db2.gz OJSZKCSKKSPHKJ-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO Cn1nncc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000334606763 354313832 /nfs/dbraw/zinc/31/38/32/354313832.db2.gz FMKRGPHQSNWPAH-CYBMUJFWSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1nncc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000334606763 354313833 /nfs/dbraw/zinc/31/38/33/354313833.db2.gz FMKRGPHQSNWPAH-CYBMUJFWSA-N 1 2 228.299 1.762 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000086452716 491061807 /nfs/dbraw/zinc/06/18/07/491061807.db2.gz ABEKOBNYWFMKRJ-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccn[nH]1 ZINC000344740951 354347818 /nfs/dbraw/zinc/34/78/18/354347818.db2.gz MUZORNZFMJINIS-UHFFFAOYSA-N 1 2 239.319 1.621 20 0 BDADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000178835300 366169500 /nfs/dbraw/zinc/16/95/00/366169500.db2.gz ATCHAZLOQXJADS-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO CC(C)[C@H](O)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334642452 354398468 /nfs/dbraw/zinc/39/84/68/354398468.db2.gz VSMFYRATLWTAAU-UWVGGRQHSA-N 1 2 237.303 1.090 20 0 BDADLO CCC[C@H]1CN(Cc2[nH+]ccn2CC)CCO1 ZINC000179150724 366211252 /nfs/dbraw/zinc/21/12/52/366211252.db2.gz CJMDGOXSRDGTFB-LBPRGKRZSA-N 1 2 237.347 1.904 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H]2C[C@@H]2C2CC2)n1 ZINC000349677420 366213114 /nfs/dbraw/zinc/21/31/14/366213114.db2.gz BWJHICVXZHTPJX-MNOVXSKESA-N 1 2 244.298 1.907 20 0 BDADLO Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)no1 ZINC000334694384 354484727 /nfs/dbraw/zinc/48/47/27/354484727.db2.gz ARFLJRLCMIFYHK-UHFFFAOYSA-N 1 2 246.270 1.768 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000639189901 354460677 /nfs/dbraw/zinc/46/06/77/354460677.db2.gz JURNXQVIXDUBKI-LBPRGKRZSA-N 1 2 234.347 1.918 20 0 BDADLO CCn1ncnc1C[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000639189901 354460680 /nfs/dbraw/zinc/46/06/80/354460680.db2.gz JURNXQVIXDUBKI-LBPRGKRZSA-N 1 2 234.347 1.918 20 0 BDADLO Cc1cc(CN2C(=O)N[C@H](C)C2=O)cc(C)[nH+]1 ZINC000334661955 354461585 /nfs/dbraw/zinc/46/15/85/354461585.db2.gz DSZJKBYLLCWEJE-SECBINFHSA-N 1 2 233.271 1.139 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000334688781 354476873 /nfs/dbraw/zinc/47/68/73/354476873.db2.gz DTPDZBHYBHFYLT-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](O)C[C@H](C)C2)cc[nH+]1 ZINC000334692721 354482345 /nfs/dbraw/zinc/48/23/45/354482345.db2.gz AFAUQVFOVDZIIO-JOYOIKCWSA-N 1 2 249.314 1.047 20 0 BDADLO CC(=O)N1CC[N@H+](CCC(F)(F)F)[C@H](C)C1 ZINC000334693499 354484116 /nfs/dbraw/zinc/48/41/16/354484116.db2.gz OKTRLWKTOWOLQL-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)[C@H](C)C1 ZINC000334693499 354484119 /nfs/dbraw/zinc/48/41/19/354484119.db2.gz OKTRLWKTOWOLQL-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CCCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000334738248 354540532 /nfs/dbraw/zinc/54/05/32/354540532.db2.gz XKMXSGIETHWJIO-GFCCVEGCSA-N 1 2 233.315 1.355 20 0 BDADLO CCCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000334738251 354541304 /nfs/dbraw/zinc/54/13/04/354541304.db2.gz XKMXSGIETHWJIO-LBPRGKRZSA-N 1 2 233.315 1.355 20 0 BDADLO Cc1cc(C)c(NC(=O)Nc2cc[nH]n2)c(C)[nH+]1 ZINC000334700927 354493651 /nfs/dbraw/zinc/49/36/51/354493651.db2.gz JXVCJQNYGVLODE-UHFFFAOYSA-N 1 2 245.286 1.796 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@@H]1CCC[C@H]1O ZINC000334719539 354519139 /nfs/dbraw/zinc/51/91/39/354519139.db2.gz SVJMTDZEALJVRW-MWLCHTKSSA-N 1 2 249.289 1.460 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)cc1F ZINC000334799711 354554535 /nfs/dbraw/zinc/55/45/35/354554535.db2.gz OHWKWRLTBSAKEP-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)c[nH+]1 ZINC000412688201 191306137 /nfs/dbraw/zinc/30/61/37/191306137.db2.gz OVQZXBFCWIQDRJ-NRPADANISA-N 1 2 237.303 1.261 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2cccn2C)c2[nH+]ccn21 ZINC000334753666 354575177 /nfs/dbraw/zinc/57/51/77/354575177.db2.gz DEHDQGDVLYYGKU-UWVGGRQHSA-N 1 2 244.298 1.657 20 0 BDADLO CC1(C)C(C(=O)Nc2cc[nH+]cc2O)C1(C)C ZINC000345361082 354632396 /nfs/dbraw/zinc/63/23/96/354632396.db2.gz PTSSINJJLCXXES-UHFFFAOYSA-N 1 2 234.299 1.830 20 0 BDADLO CC[C@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345426805 354654832 /nfs/dbraw/zinc/65/48/32/354654832.db2.gz KKFIJUDHHHNIMV-NWDGAFQWSA-N 1 2 242.363 1.212 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[C@@H](F)C1 ZINC000335089466 354624098 /nfs/dbraw/zinc/62/40/98/354624098.db2.gz GDBPKDVMUDBSGP-DTWKUNHWSA-N 1 2 225.267 1.554 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnc(OC)s1 ZINC000639207955 354699633 /nfs/dbraw/zinc/69/96/33/354699633.db2.gz VNYZZEUPIZCJDW-MRVPVSSYSA-N 1 2 228.317 1.372 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnc(OC)s1 ZINC000639207955 354699636 /nfs/dbraw/zinc/69/96/36/354699636.db2.gz VNYZZEUPIZCJDW-MRVPVSSYSA-N 1 2 228.317 1.372 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(C)(F)F)[C@]12CCCO2 ZINC000639207991 354700269 /nfs/dbraw/zinc/70/02/69/354700269.db2.gz MNUPWTUGEFAJFI-HOSYDEDBSA-N 1 2 249.301 1.958 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000335114850 354703733 /nfs/dbraw/zinc/70/37/33/354703733.db2.gz HKFBNIZOAUKOCV-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000335114850 354703735 /nfs/dbraw/zinc/70/37/35/354703735.db2.gz HKFBNIZOAUKOCV-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H]2CO)oc1C ZINC000335117174 354707998 /nfs/dbraw/zinc/70/79/98/354707998.db2.gz JHPKXTHBXWMCJG-SNVBAGLBSA-N 1 2 242.344 1.201 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H]2CO)oc1C ZINC000335117174 354708000 /nfs/dbraw/zinc/70/80/00/354708000.db2.gz JHPKXTHBXWMCJG-SNVBAGLBSA-N 1 2 242.344 1.201 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(F)cc1 ZINC000345626835 354717735 /nfs/dbraw/zinc/71/77/35/354717735.db2.gz KBKIABILIIMTAX-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(F)cc1 ZINC000345626835 354717739 /nfs/dbraw/zinc/71/77/39/354717739.db2.gz KBKIABILIIMTAX-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO COCC(C)(C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000345529936 354673607 /nfs/dbraw/zinc/67/36/07/354673607.db2.gz LFKBTHJICALJNI-UHFFFAOYSA-N 1 2 239.319 1.144 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCOC(C)(C)C ZINC000345729991 354745830 /nfs/dbraw/zinc/74/58/30/354745830.db2.gz OWYKRFXGPVZPRB-SNVBAGLBSA-N 1 2 231.336 1.685 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000345729991 354745832 /nfs/dbraw/zinc/74/58/32/354745832.db2.gz OWYKRFXGPVZPRB-SNVBAGLBSA-N 1 2 231.336 1.685 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(C)(C)C)CC[S@@]1=O ZINC000345729184 354745902 /nfs/dbraw/zinc/74/59/02/354745902.db2.gz OFHYBWLKZZDHIP-BMIGLBTASA-N 1 2 233.377 1.254 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(C)(C)C)CC[S@@]1=O ZINC000345729184 354745905 /nfs/dbraw/zinc/74/59/05/354745905.db2.gz OFHYBWLKZZDHIP-BMIGLBTASA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCSC[C@H]2C)nn1 ZINC000335135754 354784906 /nfs/dbraw/zinc/78/49/06/354784906.db2.gz IOJOMKFLXIEMNN-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCSC[C@H]2C)nn1 ZINC000335135754 354784910 /nfs/dbraw/zinc/78/49/10/354784910.db2.gz IOJOMKFLXIEMNN-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1(C)CC1 ZINC000345938658 354814375 /nfs/dbraw/zinc/81/43/75/354814375.db2.gz PVZGMGKPSDFFKL-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC1(C)CC1 ZINC000345938658 354814376 /nfs/dbraw/zinc/81/43/76/354814376.db2.gz PVZGMGKPSDFFKL-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)CCC2CC2)[nH+]1 ZINC000346255294 354881477 /nfs/dbraw/zinc/88/14/77/354881477.db2.gz QSOOIBUJKVCUBM-SECBINFHSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H](C)CCC2CC2)nc(N(C)C)[nH+]1 ZINC000346255294 354881481 /nfs/dbraw/zinc/88/14/81/354881481.db2.gz QSOOIBUJKVCUBM-SECBINFHSA-N 1 2 249.362 1.659 20 0 BDADLO CN1CC[C@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335165067 354921447 /nfs/dbraw/zinc/92/14/47/354921447.db2.gz CQMAJJQQKIGHLK-LBPRGKRZSA-N 1 2 234.274 1.372 20 0 BDADLO CN1CC[C@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335165067 354921449 /nfs/dbraw/zinc/92/14/49/354921449.db2.gz CQMAJJQQKIGHLK-LBPRGKRZSA-N 1 2 234.274 1.372 20 0 BDADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cnccn1 ZINC000346525952 354976814 /nfs/dbraw/zinc/97/68/14/354976814.db2.gz MVQIOCJQAZBAJL-GHMZBOCLSA-N 1 2 247.298 1.844 20 0 BDADLO Cc1cc(N2C[C@@H](C)OC[C@@H]2C)nc[nH+]1 ZINC000346596821 354988474 /nfs/dbraw/zinc/98/84/74/354988474.db2.gz VCHANPIPHSJICK-VHSXEESVSA-N 1 2 207.277 1.399 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449755314 202023012 /nfs/dbraw/zinc/02/30/12/202023012.db2.gz MOBVRJIKDSYPNI-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2c1NCC2 ZINC000346818566 355124343 /nfs/dbraw/zinc/12/43/43/355124343.db2.gz GRJLWTXZZVVSTK-UHFFFAOYSA-N 1 2 234.299 1.259 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2c1NCC2 ZINC000346818566 355124345 /nfs/dbraw/zinc/12/43/45/355124345.db2.gz GRJLWTXZZVVSTK-UHFFFAOYSA-N 1 2 234.299 1.259 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cccc2c1NCC2 ZINC000346845287 355135691 /nfs/dbraw/zinc/13/56/91/355135691.db2.gz MRBZINIUUALLCZ-UHFFFAOYSA-N 1 2 248.326 1.650 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cccc2c1NCC2 ZINC000346845287 355135694 /nfs/dbraw/zinc/13/56/94/355135694.db2.gz MRBZINIUUALLCZ-UHFFFAOYSA-N 1 2 248.326 1.650 20 0 BDADLO CCC[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413132913 191358014 /nfs/dbraw/zinc/35/80/14/191358014.db2.gz GPUJTBJCHVTIGK-SNVBAGLBSA-N 1 2 236.319 1.624 20 0 BDADLO CCC[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413132913 191358017 /nfs/dbraw/zinc/35/80/17/191358017.db2.gz GPUJTBJCHVTIGK-SNVBAGLBSA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@@H](COC)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413161848 191360162 /nfs/dbraw/zinc/36/01/62/191360162.db2.gz ZJYMWSBGYPDENK-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO CC[C@@H](COC)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413161848 191360163 /nfs/dbraw/zinc/36/01/63/191360163.db2.gz ZJYMWSBGYPDENK-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO Cn1nnc(C[N@H+](C)C2CCC(F)(F)CC2)n1 ZINC000347610974 355234660 /nfs/dbraw/zinc/23/46/60/355234660.db2.gz CBRWRQUVJOJKHJ-UHFFFAOYSA-N 1 2 245.277 1.220 20 0 BDADLO Cn1nnc(C[N@@H+](C)C2CCC(F)(F)CC2)n1 ZINC000347610974 355234662 /nfs/dbraw/zinc/23/46/62/355234662.db2.gz CBRWRQUVJOJKHJ-UHFFFAOYSA-N 1 2 245.277 1.220 20 0 BDADLO Fc1ccc2c(c1)CN(Cc1[nH]cc[nH+]1)CCO2 ZINC000335290831 355265403 /nfs/dbraw/zinc/26/54/03/355265403.db2.gz PGMOJTSBWZMWEO-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)nc[nH+]1 ZINC000413531525 191393042 /nfs/dbraw/zinc/39/30/42/191393042.db2.gz LUXXPLZSAGIPOK-MXWKQRLJSA-N 1 2 221.304 1.432 20 0 BDADLO Cc1nc(N2CC(C)(C)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000413567002 191398156 /nfs/dbraw/zinc/39/81/56/191398156.db2.gz XTJQDIYXRAFUEX-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(C)(C)C[C@@H]2C)[nH+]1 ZINC000413567002 191398159 /nfs/dbraw/zinc/39/81/59/191398159.db2.gz XTJQDIYXRAFUEX-VIFPVBQESA-N 1 2 249.362 1.871 20 0 BDADLO COC(=O)[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000413553505 191396307 /nfs/dbraw/zinc/39/63/07/191396307.db2.gz ALWFSHXZSDBBHH-DTORHVGOSA-N 1 2 221.260 1.149 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)[C@H](C)CO ZINC000413158885 191362235 /nfs/dbraw/zinc/36/22/35/191362235.db2.gz WDMUUFMKCXBEPR-RKDXNWHRSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)[C@H](C)CO ZINC000413158885 191362237 /nfs/dbraw/zinc/36/22/37/191362237.db2.gz WDMUUFMKCXBEPR-RKDXNWHRSA-N 1 2 236.319 1.480 20 0 BDADLO F[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413270718 191367762 /nfs/dbraw/zinc/36/77/62/191367762.db2.gz PAJIFSYQNAPDNW-VIFPVBQESA-N 1 2 236.294 1.989 20 0 BDADLO F[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413270718 191367764 /nfs/dbraw/zinc/36/77/64/191367764.db2.gz PAJIFSYQNAPDNW-VIFPVBQESA-N 1 2 236.294 1.989 20 0 BDADLO F[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1F ZINC000413308330 191371497 /nfs/dbraw/zinc/37/14/97/191371497.db2.gz CRBDDKGSQDCUCD-DTORHVGOSA-N 1 2 240.257 1.547 20 0 BDADLO F[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1F ZINC000413308330 191371498 /nfs/dbraw/zinc/37/14/98/191371498.db2.gz CRBDDKGSQDCUCD-DTORHVGOSA-N 1 2 240.257 1.547 20 0 BDADLO CC[C@H](Nc1cc(NC2CC2)[nH+]cn1)[C@@H](C)O ZINC000413308653 191371538 /nfs/dbraw/zinc/37/15/38/191371538.db2.gz ADPDMJDUFPVUKV-SCZZXKLOSA-N 1 2 236.319 1.622 20 0 BDADLO CC[C@H](Nc1cc(NC2CC2)nc[nH+]1)[C@@H](C)O ZINC000413308653 191371540 /nfs/dbraw/zinc/37/15/40/191371540.db2.gz ADPDMJDUFPVUKV-SCZZXKLOSA-N 1 2 236.319 1.622 20 0 BDADLO CC[C@@H](CNc1cc(NC2CC2)nc[nH+]1)OC ZINC000413309132 191371673 /nfs/dbraw/zinc/37/16/73/191371673.db2.gz KYVNSXGOUBYPTH-JTQLQIEISA-N 1 2 236.319 1.888 20 0 BDADLO CC[C@@H](CNc1cc(NC2CC2)[nH+]cn1)OC ZINC000413309132 191371676 /nfs/dbraw/zinc/37/16/76/191371676.db2.gz KYVNSXGOUBYPTH-JTQLQIEISA-N 1 2 236.319 1.888 20 0 BDADLO Cc1cncc(NCCc2cn(C)c[nH+]2)n1 ZINC000413379592 191376655 /nfs/dbraw/zinc/37/66/55/191376655.db2.gz HJZMQGQIQRKCLY-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH+]1CC(C)(O)C1 ZINC000639253724 355291935 /nfs/dbraw/zinc/29/19/35/355291935.db2.gz PBLDZEYRSPCHDT-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO FC(F)OC1C[NH+](CCC[C@@H]2CCO2)C1 ZINC000639262934 355317491 /nfs/dbraw/zinc/31/74/91/355317491.db2.gz CYGYGHCXHUBWQR-MRVPVSSYSA-N 1 2 221.247 1.479 20 0 BDADLO Cc1nc(N(C[C@@H]2CCC(=O)N2)C(C)C)cc[nH+]1 ZINC000413598074 191399644 /nfs/dbraw/zinc/39/96/44/191399644.db2.gz VELYRUOQUNIDHG-NSHDSACASA-N 1 2 248.330 1.278 20 0 BDADLO CO[C@@H](C[NH+]1CC(OCC(F)F)C1)C1CC1 ZINC000639251011 355281823 /nfs/dbraw/zinc/28/18/23/355281823.db2.gz GNFFBEGLNOEMQE-JTQLQIEISA-N 1 2 235.274 1.377 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2ccon2)c1 ZINC000349237239 355373328 /nfs/dbraw/zinc/37/33/28/355373328.db2.gz DYPVWHHOTZQGCI-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO CO[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000583510583 355347631 /nfs/dbraw/zinc/34/76/31/355347631.db2.gz WBJSAUXFLYDORS-JTQLQIEISA-N 1 2 207.277 1.319 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)sn1 ZINC000639275712 355352101 /nfs/dbraw/zinc/35/21/01/355352101.db2.gz WGPJLXLNPZBZEC-GXSJLCMTSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)sn1 ZINC000639275712 355352103 /nfs/dbraw/zinc/35/21/03/355352103.db2.gz WGPJLXLNPZBZEC-GXSJLCMTSA-N 1 2 242.344 1.033 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335791973 355444328 /nfs/dbraw/zinc/44/43/28/355444328.db2.gz WHLBXUUEQHGFMK-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335795347 355450917 /nfs/dbraw/zinc/45/09/17/355450917.db2.gz KXPFCKJTIDLFHR-MNOVXSKESA-N 1 2 235.331 1.702 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cnc(C2CCC2)s1 ZINC000349853052 355484645 /nfs/dbraw/zinc/48/46/45/355484645.db2.gz IIDDKKWSYHCSNU-UHFFFAOYSA-N 1 2 239.344 1.328 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cnc(C2CCC2)s1 ZINC000349853052 355484648 /nfs/dbraw/zinc/48/46/48/355484648.db2.gz IIDDKKWSYHCSNU-UHFFFAOYSA-N 1 2 239.344 1.328 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(C)s1 ZINC000335810322 355485057 /nfs/dbraw/zinc/48/50/57/355485057.db2.gz RCKHFEZEIKHAKR-UWVGGRQHSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(C)s1 ZINC000335810322 355485058 /nfs/dbraw/zinc/48/50/58/355485058.db2.gz RCKHFEZEIKHAKR-UWVGGRQHSA-N 1 2 244.335 1.665 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccon1 ZINC000349836318 355490093 /nfs/dbraw/zinc/49/00/93/355490093.db2.gz RUINJBVKSMKCKW-GARJFASQSA-N 1 2 235.331 1.950 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccno1 ZINC000335818652 355509433 /nfs/dbraw/zinc/50/94/33/355509433.db2.gz ZZRLQTIRYUWRLB-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccno1 ZINC000335818652 355509434 /nfs/dbraw/zinc/50/94/34/355509434.db2.gz ZZRLQTIRYUWRLB-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO c1cn(CCc2nc(-c3cccnc3)no2)c[nH+]1 ZINC000349866068 355513100 /nfs/dbraw/zinc/51/31/00/355513100.db2.gz LVWOTABWLYASBE-UHFFFAOYSA-N 1 2 241.254 1.571 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2ccc(C)o2)n1 ZINC000349914018 355524470 /nfs/dbraw/zinc/52/44/70/355524470.db2.gz SOKGADCOGDTEDN-AATRIKPKSA-N 1 2 219.244 1.861 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000335847373 355591553 /nfs/dbraw/zinc/59/15/53/355591553.db2.gz IFTNAVRYANJPCZ-QMMMGPOBSA-N 1 2 220.272 1.674 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2ccc(O)cc2C1 ZINC000335847373 355591556 /nfs/dbraw/zinc/59/15/56/355591556.db2.gz IFTNAVRYANJPCZ-QMMMGPOBSA-N 1 2 220.272 1.674 20 0 BDADLO CCC(C)(C)CC[N@@H+]1CCOC[C@H]1C(=O)OC ZINC000350229991 355653926 /nfs/dbraw/zinc/65/39/26/355653926.db2.gz ZNRMFJPBSKIZNN-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCC(C)(C)CC[N@H+]1CCOC[C@H]1C(=O)OC ZINC000350229991 355653929 /nfs/dbraw/zinc/65/39/29/355653929.db2.gz ZNRMFJPBSKIZNN-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000583573135 355655956 /nfs/dbraw/zinc/65/59/56/355655956.db2.gz LPKYNCCNGJDDPS-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO CCCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000583573135 355655958 /nfs/dbraw/zinc/65/59/58/355655958.db2.gz LPKYNCCNGJDDPS-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1=CCCCC1 ZINC000335861309 355623740 /nfs/dbraw/zinc/62/37/40/355623740.db2.gz COLOYABEVNPPOO-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO Cc1[nH]c(CN2Cc3cnn(C)c3C2)[nH+]c1C ZINC000639321094 355722195 /nfs/dbraw/zinc/72/21/95/355722195.db2.gz HRSCTRPPTNTGTQ-UHFFFAOYSA-N 1 2 231.303 1.276 20 0 BDADLO CC(C)n1cc[nH+]c1CN1Cc2cnn(C)c2C1 ZINC000639323190 355715271 /nfs/dbraw/zinc/71/52/71/355715271.db2.gz YBAJVXWKUXIRPD-UHFFFAOYSA-N 1 2 245.330 1.713 20 0 BDADLO Cn1ncc2c1C[N@H+](CCC1CCOCC1)C2 ZINC000639319819 355719950 /nfs/dbraw/zinc/71/99/50/355719950.db2.gz IIXYYNMBJLJJLD-UHFFFAOYSA-N 1 2 235.331 1.552 20 0 BDADLO Cn1ncc2c1C[N@@H+](CCC1CCOCC1)C2 ZINC000639319819 355719952 /nfs/dbraw/zinc/71/99/52/355719952.db2.gz IIXYYNMBJLJJLD-UHFFFAOYSA-N 1 2 235.331 1.552 20 0 BDADLO Cc1ccc(C[S@@](=O)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000335890832 355678236 /nfs/dbraw/zinc/67/82/36/355678236.db2.gz SGESKZPBVJNURY-MLGOLLRUSA-N 1 2 239.340 1.736 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000335889630 355681116 /nfs/dbraw/zinc/68/11/16/355681116.db2.gz XHXHPASJZWAURM-SECBINFHSA-N 1 2 208.265 1.218 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000335889630 355681119 /nfs/dbraw/zinc/68/11/19/355681119.db2.gz XHXHPASJZWAURM-SECBINFHSA-N 1 2 208.265 1.218 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000335889630 355681124 /nfs/dbraw/zinc/68/11/24/355681124.db2.gz XHXHPASJZWAURM-SECBINFHSA-N 1 2 208.265 1.218 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000335889630 355681127 /nfs/dbraw/zinc/68/11/27/355681127.db2.gz XHXHPASJZWAURM-SECBINFHSA-N 1 2 208.265 1.218 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000639311479 355683383 /nfs/dbraw/zinc/68/33/83/355683383.db2.gz ZZLSWKZWNFAUMK-GXSJLCMTSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000639311479 355683384 /nfs/dbraw/zinc/68/33/84/355683384.db2.gz ZZLSWKZWNFAUMK-GXSJLCMTSA-N 1 2 241.335 1.871 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C(=O)c1ccccc1 ZINC000350655927 355738332 /nfs/dbraw/zinc/73/83/32/355738332.db2.gz HFGSXLPWUQUCPG-UHFFFAOYSA-N 1 2 242.234 1.031 20 0 BDADLO Cc1nc(N2C[C@H](O)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000350701780 355744911 /nfs/dbraw/zinc/74/49/11/355744911.db2.gz PGLOYVVPUPSPKM-GXSJLCMTSA-N 1 2 247.342 1.623 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2cnccn2)n1 ZINC000350767446 355756051 /nfs/dbraw/zinc/75/60/51/355756051.db2.gz KFACZFNXCVCHAU-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2cnccn2)n1 ZINC000350767446 355756052 /nfs/dbraw/zinc/75/60/52/355756052.db2.gz KFACZFNXCVCHAU-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO COc1cc(C[NH2+]Cc2cnc(C3CC3)o2)on1 ZINC000639325816 355724953 /nfs/dbraw/zinc/72/49/53/355724953.db2.gz PCJMBDDPHPIMCC-UHFFFAOYSA-N 1 2 249.270 1.838 20 0 BDADLO Nc1cc2c(nn1)CC[N@H+](Cc1ccsc1)C2 ZINC000371382182 181210648 /nfs/dbraw/zinc/21/06/48/181210648.db2.gz YEEFTAMYUJJHPZ-UHFFFAOYSA-N 1 2 246.339 1.509 20 0 BDADLO Nc1cc2c(nn1)CC[N@@H+](Cc1ccsc1)C2 ZINC000371382182 181210651 /nfs/dbraw/zinc/21/06/51/181210651.db2.gz YEEFTAMYUJJHPZ-UHFFFAOYSA-N 1 2 246.339 1.509 20 0 BDADLO C[C@H](CO)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000608498389 355825626 /nfs/dbraw/zinc/82/56/26/355825626.db2.gz NHVDKZDPBZIIJQ-QMMMGPOBSA-N 1 2 225.292 1.007 20 0 BDADLO C[C@H](CO)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000608498389 355825630 /nfs/dbraw/zinc/82/56/30/355825630.db2.gz NHVDKZDPBZIIJQ-QMMMGPOBSA-N 1 2 225.292 1.007 20 0 BDADLO Cn1ncnc1C[NH+]1CC(Cc2cccs2)C1 ZINC000639356338 355810746 /nfs/dbraw/zinc/81/07/46/355810746.db2.gz HKLQYWFPGGZMFL-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO Cn1ncnc1C[NH+]1CC(c2ccccc2)C1 ZINC000639361814 355816248 /nfs/dbraw/zinc/81/62/48/355816248.db2.gz SUZJCKCQMGXUEK-UHFFFAOYSA-N 1 2 228.299 1.415 20 0 BDADLO C[C@@H](Nc1c[nH+]cc(N(C)C)c1)[C@@H]1CCOC1 ZINC000639364952 355837325 /nfs/dbraw/zinc/83/73/25/355837325.db2.gz KVZFTMSXHLXVIT-GHMZBOCLSA-N 1 2 235.331 1.985 20 0 BDADLO COC[C@@H](Nc1c[nH+]cc(N(C)C)c1)C1CC1 ZINC000639365944 355841355 /nfs/dbraw/zinc/84/13/55/355841355.db2.gz SVWCJVMBSXDLKK-CYBMUJFWSA-N 1 2 235.331 1.985 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@H]2CCCNC(=O)C2)c1 ZINC000639366380 355843060 /nfs/dbraw/zinc/84/30/60/355843060.db2.gz VHSAOTJWSFHZKT-JTQLQIEISA-N 1 2 248.330 1.228 20 0 BDADLO CCc1ncnc(N2CC(n3cc[nH+]c3)C2)c1F ZINC000536596125 355843211 /nfs/dbraw/zinc/84/32/11/355843211.db2.gz YICZAHNORBZHRA-UHFFFAOYSA-N 1 2 247.277 1.436 20 0 BDADLO COC[C@H](C)CNc1c[nH+]cc(N(C)C)c1 ZINC000639366783 355844885 /nfs/dbraw/zinc/84/48/85/355844885.db2.gz YXQNWPJBBVCRLQ-SNVBAGLBSA-N 1 2 223.320 1.842 20 0 BDADLO CCN(CCOC)C(=O)CCCn1cc[nH+]c1 ZINC000623254892 355856739 /nfs/dbraw/zinc/85/67/39/355856739.db2.gz PMEFXCQVEJNEHJ-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H](C)S1 ZINC000608565796 355861431 /nfs/dbraw/zinc/86/14/31/355861431.db2.gz JETZUYCRYXSJMO-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H](C)S1 ZINC000608565796 355861434 /nfs/dbraw/zinc/86/14/34/355861434.db2.gz JETZUYCRYXSJMO-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO Cn1c(C[NH2+]C2(C)COC2)nc2ccccc21 ZINC000639382797 355932423 /nfs/dbraw/zinc/93/24/23/355932423.db2.gz XUFOIBXWOWAULC-UHFFFAOYSA-N 1 2 231.299 1.452 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2cocn2)C1 ZINC000639383079 355936686 /nfs/dbraw/zinc/93/66/86/355936686.db2.gz PXGGRCDOJUOXHI-UHFFFAOYSA-N 1 2 222.288 1.533 20 0 BDADLO Cc1sccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256234 355936853 /nfs/dbraw/zinc/93/68/53/355936853.db2.gz CPEAPCWGJBCOMZ-SECBINFHSA-N 1 2 247.323 1.608 20 0 BDADLO COCCc1nc(C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000351286691 355973546 /nfs/dbraw/zinc/97/35/46/355973546.db2.gz GWGQMVKMLPPBEV-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO COCCc1nc(C[N@H+]2CCC[C@H](C)C2)no1 ZINC000351286691 355973553 /nfs/dbraw/zinc/97/35/53/355973553.db2.gz GWGQMVKMLPPBEV-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CC[C@@H](CC(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256779 355974556 /nfs/dbraw/zinc/97/45/56/355974556.db2.gz VBUOAVLKOMSHHY-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C(F)(F)F)O1 ZINC000608759417 355976003 /nfs/dbraw/zinc/97/60/03/355976003.db2.gz WOYXERKARZWZCZ-HTQZYQBOSA-N 1 2 249.236 1.561 20 0 BDADLO COC[C@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351489485 355999152 /nfs/dbraw/zinc/99/91/52/355999152.db2.gz HHJABERVELONMW-ONGXEEELSA-N 1 2 239.319 1.797 20 0 BDADLO COC[C@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351489485 355999154 /nfs/dbraw/zinc/99/91/54/355999154.db2.gz HHJABERVELONMW-ONGXEEELSA-N 1 2 239.319 1.797 20 0 BDADLO COC[C@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351489483 355999168 /nfs/dbraw/zinc/99/91/68/355999168.db2.gz HHJABERVELONMW-KOLCDFICSA-N 1 2 239.319 1.797 20 0 BDADLO COC[C@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351489483 355999171 /nfs/dbraw/zinc/99/91/71/355999171.db2.gz HHJABERVELONMW-KOLCDFICSA-N 1 2 239.319 1.797 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351491927 356000761 /nfs/dbraw/zinc/00/07/61/356000761.db2.gz KQWYWKLVRPBVNJ-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351491927 356000764 /nfs/dbraw/zinc/00/07/64/356000764.db2.gz KQWYWKLVRPBVNJ-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@H](O)C(F)(F)F ZINC000583641071 355946928 /nfs/dbraw/zinc/94/69/28/355946928.db2.gz CXHOHPWJYIGSFW-QMMMGPOBSA-N 1 2 249.236 1.453 20 0 BDADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623256549 355959843 /nfs/dbraw/zinc/95/98/43/355959843.db2.gz PQRKBJSEEAEJSF-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO c1cnn([C@@H]2CCC[N@@H+](Cc3cocn3)C2)c1 ZINC000351264657 355968326 /nfs/dbraw/zinc/96/83/26/355968326.db2.gz AZSBWWUDLUBMQN-GFCCVEGCSA-N 1 2 232.287 1.708 20 0 BDADLO c1cnn([C@@H]2CCC[N@H+](Cc3cocn3)C2)c1 ZINC000351264657 355968330 /nfs/dbraw/zinc/96/83/30/355968330.db2.gz AZSBWWUDLUBMQN-GFCCVEGCSA-N 1 2 232.287 1.708 20 0 BDADLO COCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608748907 355971824 /nfs/dbraw/zinc/97/18/24/355971824.db2.gz GXNOJYAAVQBPJB-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608748907 355971828 /nfs/dbraw/zinc/97/18/28/355971828.db2.gz GXNOJYAAVQBPJB-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351647451 356044534 /nfs/dbraw/zinc/04/45/34/356044534.db2.gz RGAPVPCWXLRUQF-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351647451 356044537 /nfs/dbraw/zinc/04/45/37/356044537.db2.gz RGAPVPCWXLRUQF-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623258011 356051943 /nfs/dbraw/zinc/05/19/43/356051943.db2.gz CWRWWWROAHVLAA-JFGNBEQYSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)n1cc(C[NH+]2CC(C)(C)C2)nn1 ZINC000639393562 356062137 /nfs/dbraw/zinc/06/21/37/356062137.db2.gz NKZLHPIXFYYJJO-UHFFFAOYSA-N 1 2 208.309 1.701 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000351545335 356012805 /nfs/dbraw/zinc/01/28/05/356012805.db2.gz OZPHBRKBNZDTBJ-MVZIDQBPSA-N 1 2 247.342 1.823 20 0 BDADLO NC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341995279 181230797 /nfs/dbraw/zinc/23/07/97/181230797.db2.gz UGHAVXALYOIDQZ-UHFFFAOYSA-N 1 2 224.226 1.136 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000048581319 181231214 /nfs/dbraw/zinc/23/12/14/181231214.db2.gz YZROPEXGJUKOAF-LLVKDONJSA-N 1 2 238.718 1.962 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000048581319 181231216 /nfs/dbraw/zinc/23/12/16/181231216.db2.gz YZROPEXGJUKOAF-LLVKDONJSA-N 1 2 238.718 1.962 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@H](C)c2ccon2)c[nH]1 ZINC000351593034 356024923 /nfs/dbraw/zinc/02/49/23/356024923.db2.gz MNELRKIUZKQQMR-MRVPVSSYSA-N 1 2 249.270 1.640 20 0 BDADLO NC(=O)C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000339532608 181242746 /nfs/dbraw/zinc/24/27/46/181242746.db2.gz TWLBDBBBHSMATD-GFCCVEGCSA-N 1 2 244.298 1.116 20 0 BDADLO NC(=O)C[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000339532906 181242856 /nfs/dbraw/zinc/24/28/56/181242856.db2.gz XQMCJNLSZKOPMQ-GFCCVEGCSA-N 1 2 245.282 1.381 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CC[C@@H](C)F)CCO2)no1 ZINC000351734487 356074748 /nfs/dbraw/zinc/07/47/48/356074748.db2.gz JBUYBOFBWGXPLB-PSASIEDQSA-N 1 2 243.282 1.499 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CC[C@@H](C)F)CCO2)no1 ZINC000351734487 356074752 /nfs/dbraw/zinc/07/47/52/356074752.db2.gz JBUYBOFBWGXPLB-PSASIEDQSA-N 1 2 243.282 1.499 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000351739701 356077394 /nfs/dbraw/zinc/07/73/94/356077394.db2.gz UEJMFHTZNVLWCO-WDEREUQCSA-N 1 2 243.310 1.997 20 0 BDADLO CC1(C)CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000639393598 356079908 /nfs/dbraw/zinc/07/99/08/356079908.db2.gz OOKGJVMHLPPYCR-UHFFFAOYSA-N 1 2 205.305 1.671 20 0 BDADLO NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000112210475 181258114 /nfs/dbraw/zinc/25/81/14/181258114.db2.gz ZAGJVNRHJGVHMU-UHFFFAOYSA-N 1 2 230.271 1.315 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCCNC2=O)s1 ZINC000335917017 356159720 /nfs/dbraw/zinc/15/97/20/356159720.db2.gz BOUIYZZBFLUHKO-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H]2CCCNC2=O)s1 ZINC000335917017 356159724 /nfs/dbraw/zinc/15/97/24/356159724.db2.gz BOUIYZZBFLUHKO-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C12CCC(CC1)C2 ZINC000623261866 356160828 /nfs/dbraw/zinc/16/08/28/356160828.db2.gz FMSHTIOTJJEEBM-CVZZAPKMSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)oc1C ZINC000336096019 134080128 /nfs/dbraw/zinc/08/01/28/134080128.db2.gz YTHXRGJBUVCGEK-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)oc1C ZINC000336096019 134080129 /nfs/dbraw/zinc/08/01/29/134080129.db2.gz YTHXRGJBUVCGEK-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CCC[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623263504 356201267 /nfs/dbraw/zinc/20/12/67/356201267.db2.gz OXMFIGAEKMLXSD-AAEUAGOBSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000617640115 356250905 /nfs/dbraw/zinc/25/09/05/356250905.db2.gz SZHYTYQDCQMZHM-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO CC(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000639468636 356254536 /nfs/dbraw/zinc/25/45/36/356254536.db2.gz FSRCRXAKJHJZMW-ZDUSSCGKSA-N 1 2 246.310 1.139 20 0 BDADLO CC(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000639468636 356254537 /nfs/dbraw/zinc/25/45/37/356254537.db2.gz FSRCRXAKJHJZMW-ZDUSSCGKSA-N 1 2 246.310 1.139 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000639454594 356239622 /nfs/dbraw/zinc/23/96/22/356239622.db2.gz IFVUGHUIONHNIK-LBPRGKRZSA-N 1 2 233.315 1.553 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000639454594 356239624 /nfs/dbraw/zinc/23/96/24/356239624.db2.gz IFVUGHUIONHNIK-LBPRGKRZSA-N 1 2 233.315 1.553 20 0 BDADLO C[N@H+](Cc1nc(C2CCC2)no1)[C@H]1CCOC1 ZINC000639482722 356295797 /nfs/dbraw/zinc/29/57/97/356295797.db2.gz MORBZXDGOMAGEE-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO C[N@@H+](Cc1nc(C2CCC2)no1)[C@H]1CCOC1 ZINC000639482722 356295799 /nfs/dbraw/zinc/29/57/99/356295799.db2.gz MORBZXDGOMAGEE-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000336119148 134089722 /nfs/dbraw/zinc/08/97/22/134089722.db2.gz FMQPUVTUPCJESJ-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000336119148 134089723 /nfs/dbraw/zinc/08/97/23/134089723.db2.gz FMQPUVTUPCJESJ-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000275152764 181268295 /nfs/dbraw/zinc/26/82/95/181268295.db2.gz SWGICJYVWWKILP-NSHDSACASA-N 1 2 237.278 1.061 20 0 BDADLO CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623268482 356337769 /nfs/dbraw/zinc/33/77/69/356337769.db2.gz OOFHTBLUGVNSTC-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CCC(F)(F)C[NH2+][C@@](C)(CCO)COC ZINC000639512362 356349062 /nfs/dbraw/zinc/34/90/62/356349062.db2.gz LGDVTQNWUZONMY-VIFPVBQESA-N 1 2 225.279 1.409 20 0 BDADLO CCC(F)(F)C[NH2+][C@](C)(CCO)COC ZINC000639512361 356349124 /nfs/dbraw/zinc/34/91/24/356349124.db2.gz LGDVTQNWUZONMY-SECBINFHSA-N 1 2 225.279 1.409 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000275152764 181268294 /nfs/dbraw/zinc/26/82/94/181268294.db2.gz SWGICJYVWWKILP-NSHDSACASA-N 1 2 237.278 1.061 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336449957 356372533 /nfs/dbraw/zinc/37/25/33/356372533.db2.gz NCAAXARNXDLDIT-WDEREUQCSA-N 1 2 247.342 1.608 20 0 BDADLO CC[C@](C)([NH2+]CC(C)=O)c1nccs1 ZINC000639532353 356381695 /nfs/dbraw/zinc/38/16/95/356381695.db2.gz FGCPKXFXPJOVCF-JTQLQIEISA-N 1 2 212.318 1.947 20 0 BDADLO CCc1nc(C[NH2+][C@@H](CO)C2CCCC2)no1 ZINC000352621440 356391818 /nfs/dbraw/zinc/39/18/18/356391818.db2.gz PIZOOAGFKYHVJL-JTQLQIEISA-N 1 2 239.319 1.273 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC=CCC1 ZINC000623279267 356427707 /nfs/dbraw/zinc/42/77/07/356427707.db2.gz RCXWMKCFTSHSHJ-WDEREUQCSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1ncsc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623273669 356402894 /nfs/dbraw/zinc/40/28/94/356402894.db2.gz WAUKNGPPQNANFW-MRVPVSSYSA-N 1 2 248.311 1.003 20 0 BDADLO O=c1cc(C[N@@H+]2CCc3cn[nH]c3C2)cc[nH]1 ZINC000639544229 356407352 /nfs/dbraw/zinc/40/73/52/356407352.db2.gz HGESBGYHXSBMKV-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1cc(C[N@H+]2CCc3cn[nH]c3C2)cc[nH]1 ZINC000639544229 356407354 /nfs/dbraw/zinc/40/73/54/356407354.db2.gz HGESBGYHXSBMKV-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)o1 ZINC000623281351 356457324 /nfs/dbraw/zinc/45/73/24/356457324.db2.gz SPCBLYZWXIAHRB-VIFPVBQESA-N 1 2 231.255 1.139 20 0 BDADLO CC(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000639557696 356462430 /nfs/dbraw/zinc/46/24/30/356462430.db2.gz NIXZNMNKAOLHSO-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO CC(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000639557696 356462431 /nfs/dbraw/zinc/46/24/31/356462431.db2.gz NIXZNMNKAOLHSO-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO CN(Cc1ccns1)Cc1[nH]cc[nH+]1 ZINC000639552099 356442346 /nfs/dbraw/zinc/44/23/46/356442346.db2.gz ZATNCWXFYPXKKO-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CC[C@H](C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000420648100 192255449 /nfs/dbraw/zinc/25/54/49/192255449.db2.gz CTFYSCBQGMKBRG-UWVGGRQHSA-N 1 2 238.335 1.149 20 0 BDADLO CC[C@H](C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420648100 192255452 /nfs/dbraw/zinc/25/54/52/192255452.db2.gz CTFYSCBQGMKBRG-UWVGGRQHSA-N 1 2 238.335 1.149 20 0 BDADLO CC[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000420657941 192256274 /nfs/dbraw/zinc/25/62/74/192256274.db2.gz XOSHCUSNZJACLV-QMMMGPOBSA-N 1 2 223.324 1.126 20 0 BDADLO CC[C@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000420657941 192256276 /nfs/dbraw/zinc/25/62/76/192256276.db2.gz XOSHCUSNZJACLV-QMMMGPOBSA-N 1 2 223.324 1.126 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000639589400 356512816 /nfs/dbraw/zinc/51/28/16/356512816.db2.gz NBVOLUOXVCHJSC-AWEZNQCLSA-N 1 2 231.295 1.707 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000639589400 356512820 /nfs/dbraw/zinc/51/28/20/356512820.db2.gz NBVOLUOXVCHJSC-AWEZNQCLSA-N 1 2 231.295 1.707 20 0 BDADLO COCCO[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000179351465 366247106 /nfs/dbraw/zinc/24/71/06/366247106.db2.gz GGIJJSZFDZCCSW-LLVKDONJSA-N 1 2 239.319 1.037 20 0 BDADLO COCCO[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000179351465 366247112 /nfs/dbraw/zinc/24/71/12/366247112.db2.gz GGIJJSZFDZCCSW-LLVKDONJSA-N 1 2 239.319 1.037 20 0 BDADLO CC(=O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000639579687 356500826 /nfs/dbraw/zinc/50/08/26/356500826.db2.gz FYSJOSPJEUPPAF-UHFFFAOYSA-N 1 2 212.318 1.865 20 0 BDADLO CC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000639576562 356504153 /nfs/dbraw/zinc/50/41/53/356504153.db2.gz RSEIVBMHLRYZMK-SNVBAGLBSA-N 1 2 219.284 1.859 20 0 BDADLO CC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000639576562 356504156 /nfs/dbraw/zinc/50/41/56/356504156.db2.gz RSEIVBMHLRYZMK-SNVBAGLBSA-N 1 2 219.284 1.859 20 0 BDADLO CC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000639583227 356506362 /nfs/dbraw/zinc/50/63/62/356506362.db2.gz JNTITOZLDIALFT-LLVKDONJSA-N 1 2 244.298 1.507 20 0 BDADLO CC[C@H]1C[NH+](Cc2cncn2C)C[C@H](CC)O1 ZINC000420947313 192276131 /nfs/dbraw/zinc/27/61/31/192276131.db2.gz CPNILLVLVQGLAL-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]cn2C)C[C@H](CC)O1 ZINC000420947313 192276134 /nfs/dbraw/zinc/27/61/34/192276134.db2.gz CPNILLVLVQGLAL-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H](CC)O1 ZINC000420943219 192288052 /nfs/dbraw/zinc/28/80/52/192288052.db2.gz HZPWBBJRVNUBRX-TXEJJXNPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H](CC)O1 ZINC000420943219 192288054 /nfs/dbraw/zinc/28/80/54/192288054.db2.gz HZPWBBJRVNUBRX-TXEJJXNPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)C[C@H](C)OC ZINC000420977189 192289364 /nfs/dbraw/zinc/28/93/64/192289364.db2.gz RTEQIQQRCCOMGC-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)C[C@H](C)OC ZINC000420977189 192289366 /nfs/dbraw/zinc/28/93/66/192289366.db2.gz RTEQIQQRCCOMGC-VIFPVBQESA-N 1 2 245.754 1.930 20 0 BDADLO Cc1occc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000350426812 366277282 /nfs/dbraw/zinc/27/72/82/366277282.db2.gz CIVNKSROMULYED-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000449771526 202028925 /nfs/dbraw/zinc/02/89/25/202028925.db2.gz FMMSHDGUHPAIDM-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000449771526 202028929 /nfs/dbraw/zinc/02/89/29/202028929.db2.gz FMMSHDGUHPAIDM-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000639641104 356548733 /nfs/dbraw/zinc/54/87/33/356548733.db2.gz HLZODIZVJFENFX-BDAKNGLRSA-N 1 2 239.237 1.068 20 0 BDADLO CC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000639641104 356548736 /nfs/dbraw/zinc/54/87/36/356548736.db2.gz HLZODIZVJFENFX-BDAKNGLRSA-N 1 2 239.237 1.068 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN(CCO)C[C@H]1C ZINC000449784934 202036130 /nfs/dbraw/zinc/03/61/30/202036130.db2.gz CWOUSIQRELQGHA-GFCCVEGCSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000449784934 202036132 /nfs/dbraw/zinc/03/61/32/202036132.db2.gz CWOUSIQRELQGHA-GFCCVEGCSA-N 1 2 238.331 1.086 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000623297595 356550245 /nfs/dbraw/zinc/55/02/45/356550245.db2.gz INNBWRKSSZPKID-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccsc1 ZINC000623298024 356550721 /nfs/dbraw/zinc/55/07/21/356550721.db2.gz SYASLTSMXLQZDH-SNVBAGLBSA-N 1 2 247.323 1.689 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(F)c[nH]1 ZINC000623300070 356561131 /nfs/dbraw/zinc/56/11/31/356561131.db2.gz IOCSPIDPZIJYOG-SECBINFHSA-N 1 2 248.261 1.095 20 0 BDADLO CCC(F)(F)CN1CCn2c[nH+]cc2C1 ZINC000639649733 356561891 /nfs/dbraw/zinc/56/18/91/356561891.db2.gz RJOHULDHAIIIOF-UHFFFAOYSA-N 1 2 215.247 1.744 20 0 BDADLO COCCC[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421322797 192317666 /nfs/dbraw/zinc/31/76/66/192317666.db2.gz UOBAAAXTTHTXSN-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO COCCC[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421322797 192317667 /nfs/dbraw/zinc/31/76/67/192317667.db2.gz UOBAAAXTTHTXSN-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000639666915 356573470 /nfs/dbraw/zinc/57/34/70/356573470.db2.gz XCSQVVZOIGOKCK-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639666915 356573475 /nfs/dbraw/zinc/57/34/75/356573475.db2.gz XCSQVVZOIGOKCK-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO CC(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000639658067 356573228 /nfs/dbraw/zinc/57/32/28/356573228.db2.gz FMWXHZZDOMBFBU-GFCCVEGCSA-N 1 2 211.305 1.466 20 0 BDADLO CC(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000639658067 356573233 /nfs/dbraw/zinc/57/32/33/356573233.db2.gz FMWXHZZDOMBFBU-GFCCVEGCSA-N 1 2 211.305 1.466 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1ccccn1 ZINC000639656675 356572687 /nfs/dbraw/zinc/57/26/87/356572687.db2.gz RVRLUFNMBUKHMY-VHSXEESVSA-N 1 2 219.288 1.360 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1ccccn1 ZINC000639656675 356572689 /nfs/dbraw/zinc/57/26/89/356572689.db2.gz RVRLUFNMBUKHMY-VHSXEESVSA-N 1 2 219.288 1.360 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCc1ccncc1 ZINC000122671616 363488033 /nfs/dbraw/zinc/48/80/33/363488033.db2.gz WJBXQMLGQPELMA-UHFFFAOYSA-N 1 2 244.298 1.375 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000336210105 134133785 /nfs/dbraw/zinc/13/37/85/134133785.db2.gz GOEVBQCKYUKZBR-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO FCC1CC[NH+](Cc2csnn2)CC1 ZINC000336210298 134134260 /nfs/dbraw/zinc/13/42/60/134134260.db2.gz ZTSJZPNDRBWFJF-UHFFFAOYSA-N 1 2 215.297 1.720 20 0 BDADLO CC(F)(F)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302234 356581944 /nfs/dbraw/zinc/58/19/44/356581944.db2.gz BQJDSGQBJMGBRH-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)co1 ZINC000623302844 356583326 /nfs/dbraw/zinc/58/33/26/356583326.db2.gz QFIMNMUPUPLMRK-NSHDSACASA-N 1 2 245.282 1.529 20 0 BDADLO CC1(C)OCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000630091731 363511182 /nfs/dbraw/zinc/51/11/82/363511182.db2.gz BZRBMCGCRLQKAR-NSHDSACASA-N 1 2 236.315 1.801 20 0 BDADLO C[C@]12COC[C@H]1CN(c1cc(CO)cc[nH+]1)C2 ZINC000630093151 363521303 /nfs/dbraw/zinc/52/13/03/363521303.db2.gz MHYPUVKGHKFHOD-YPMHNXCESA-N 1 2 234.299 1.047 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccn1 ZINC000639688823 356597594 /nfs/dbraw/zinc/59/75/94/356597594.db2.gz SLTCJAFOWFOFMM-GRYCIOLGSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccn1 ZINC000639688823 356597597 /nfs/dbraw/zinc/59/75/97/356597597.db2.gz SLTCJAFOWFOFMM-GRYCIOLGSA-N 1 2 247.342 1.521 20 0 BDADLO O=C(CCC1CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305096 356599645 /nfs/dbraw/zinc/59/96/45/356599645.db2.gz LKMHLQJIFCGLNR-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CC=CC1 ZINC000623306058 356606422 /nfs/dbraw/zinc/60/64/22/356606422.db2.gz FYWQQMKSHLHREF-NSHDSACASA-N 1 2 231.299 1.280 20 0 BDADLO C[NH+](C)C1(CNc2nncs2)CCCCC1 ZINC000450217425 202098128 /nfs/dbraw/zinc/09/81/28/202098128.db2.gz RHKHJVPVOAOAII-UHFFFAOYSA-N 1 2 240.376 1.636 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088225581 356622389 /nfs/dbraw/zinc/62/23/89/356622389.db2.gz YAZPBGFQZNRKOU-QMMMGPOBSA-N 1 2 209.211 1.850 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088225581 356622392 /nfs/dbraw/zinc/62/23/92/356622392.db2.gz YAZPBGFQZNRKOU-QMMMGPOBSA-N 1 2 209.211 1.850 20 0 BDADLO Clc1cnc(NCCCn2cc[nH+]c2)s1 ZINC000379996573 538463774 /nfs/dbraw/zinc/46/37/74/538463774.db2.gz JVLCHDNSGOTTEY-UHFFFAOYSA-N 1 2 242.735 1.917 20 0 BDADLO CC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000450246473 202106322 /nfs/dbraw/zinc/10/63/22/202106322.db2.gz KVUOXUMUMOWPIB-ZDUSSCGKSA-N 1 2 246.310 1.339 20 0 BDADLO CC(=O)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000450246473 202106326 /nfs/dbraw/zinc/10/63/26/202106326.db2.gz KVUOXUMUMOWPIB-ZDUSSCGKSA-N 1 2 246.310 1.339 20 0 BDADLO CCC(F)(F)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000639752342 356644828 /nfs/dbraw/zinc/64/48/28/356644828.db2.gz ZRJBETCAMDUIEX-MRVPVSSYSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(F)(F)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000639752342 356644833 /nfs/dbraw/zinc/64/48/33/356644833.db2.gz ZRJBETCAMDUIEX-MRVPVSSYSA-N 1 2 207.264 1.877 20 0 BDADLO CC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000450246472 202107091 /nfs/dbraw/zinc/10/70/91/202107091.db2.gz KVUOXUMUMOWPIB-CYBMUJFWSA-N 1 2 246.310 1.339 20 0 BDADLO CC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000450246472 202107094 /nfs/dbraw/zinc/10/70/94/202107094.db2.gz KVUOXUMUMOWPIB-CYBMUJFWSA-N 1 2 246.310 1.339 20 0 BDADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)C[C@H]1CO ZINC000630095261 363547717 /nfs/dbraw/zinc/54/77/17/363547717.db2.gz XBJCTLQVEVYRNF-JQWIXIFHSA-N 1 2 236.315 1.029 20 0 BDADLO CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343370443 535332633 /nfs/dbraw/zinc/33/26/33/535332633.db2.gz MWPWAVMEJSMALT-UHFFFAOYSA-N 1 2 230.271 1.675 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@H]2CC(C)(C)CO2)n1 ZINC000639747998 356641149 /nfs/dbraw/zinc/64/11/49/356641149.db2.gz BKNJSCBEQOBQBV-SNVBAGLBSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@H]2CC(C)(C)CO2)n1 ZINC000639747998 356641152 /nfs/dbraw/zinc/64/11/52/356641152.db2.gz BKNJSCBEQOBQBV-SNVBAGLBSA-N 1 2 239.319 1.625 20 0 BDADLO CC[N@H+](CCOC)Cc1cn(CC2CC2)nn1 ZINC000450285467 202119300 /nfs/dbraw/zinc/11/93/00/202119300.db2.gz NBWAYPRLMUQOHM-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CC[N@@H+](CCOC)Cc1cn(CC2CC2)nn1 ZINC000450285467 202119304 /nfs/dbraw/zinc/11/93/04/202119304.db2.gz NBWAYPRLMUQOHM-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000053896632 363555968 /nfs/dbraw/zinc/55/59/68/363555968.db2.gz SOKTVTIPNYAXIY-UHFFFAOYSA-N 1 2 243.310 1.958 20 0 BDADLO c1csc([C@@H]2CCC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000450336255 202131634 /nfs/dbraw/zinc/13/16/34/202131634.db2.gz PIVAOXDEOXRLCG-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@@H]2CCC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000450336255 202131637 /nfs/dbraw/zinc/13/16/37/202131637.db2.gz PIVAOXDEOXRLCG-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000450336255 202131640 /nfs/dbraw/zinc/13/16/40/202131640.db2.gz PIVAOXDEOXRLCG-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@@H]2CCC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000450336255 202131641 /nfs/dbraw/zinc/13/16/41/202131641.db2.gz PIVAOXDEOXRLCG-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000450336255 202131645 /nfs/dbraw/zinc/13/16/45/202131645.db2.gz PIVAOXDEOXRLCG-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@@H]2CCC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000450336255 202131646 /nfs/dbraw/zinc/13/16/46/202131646.db2.gz PIVAOXDEOXRLCG-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399394575 356657589 /nfs/dbraw/zinc/65/75/89/356657589.db2.gz UOLNACQMRWUFMV-CMPLNLGQSA-N 1 2 231.299 1.663 20 0 BDADLO CC[C@H](NC(=O)Cc1ccco1)c1[nH]cc[nH+]1 ZINC000442816868 538518974 /nfs/dbraw/zinc/51/89/74/538518974.db2.gz YLDXOMHRPMEFRZ-JTQLQIEISA-N 1 2 233.271 1.813 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)c1)C(C)(F)F ZINC000389473140 356681114 /nfs/dbraw/zinc/68/11/14/356681114.db2.gz UWVJIKDYVOLEMG-ZETCQYMHSA-N 1 2 203.236 1.553 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172163 363563586 /nfs/dbraw/zinc/56/35/86/363563586.db2.gz NANCLGAKSBOMPI-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000054172163 363563591 /nfs/dbraw/zinc/56/35/91/363563591.db2.gz NANCLGAKSBOMPI-QMMMGPOBSA-N 1 2 210.277 1.512 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000054172319 363564080 /nfs/dbraw/zinc/56/40/80/363564080.db2.gz LSKLOFDFHPKNQG-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000054172319 363564085 /nfs/dbraw/zinc/56/40/85/363564085.db2.gz LSKLOFDFHPKNQG-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CC(C)CCC(=O)NCCc1c[nH+]cn1C ZINC000542481834 325030517 /nfs/dbraw/zinc/03/05/17/325030517.db2.gz HCSBBCHVUPCKLY-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO c1n[nH]cc1[C@@H]1CCC[N@H+]1Cc1ncccn1 ZINC000639777867 356723886 /nfs/dbraw/zinc/72/38/86/356723886.db2.gz YSEQFMWNXXPULZ-NSHDSACASA-N 1 2 229.287 1.537 20 0 BDADLO c1n[nH]cc1[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000639777867 356723890 /nfs/dbraw/zinc/72/38/90/356723890.db2.gz YSEQFMWNXXPULZ-NSHDSACASA-N 1 2 229.287 1.537 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777875 356724069 /nfs/dbraw/zinc/72/40/69/356724069.db2.gz NHVMGHRIOYSLGS-JTQLQIEISA-N 1 2 249.343 1.907 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639777875 356724072 /nfs/dbraw/zinc/72/40/72/356724072.db2.gz NHVMGHRIOYSLGS-JTQLQIEISA-N 1 2 249.343 1.907 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)on1 ZINC000639776594 356717056 /nfs/dbraw/zinc/71/70/56/356717056.db2.gz NRHPNTXDAVBZGD-LLVKDONJSA-N 1 2 248.286 1.743 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)on1 ZINC000639776594 356717059 /nfs/dbraw/zinc/71/70/59/356717059.db2.gz NRHPNTXDAVBZGD-LLVKDONJSA-N 1 2 248.286 1.743 20 0 BDADLO Cc1cc(N)nc(SC[C@H](C)CO)[nH+]1 ZINC000154789196 538667779 /nfs/dbraw/zinc/66/77/79/538667779.db2.gz CCLRHTOGKRTLFL-ZCFIWIBFSA-N 1 2 213.306 1.088 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@](C)(O)C2)s1 ZINC000450473073 202176583 /nfs/dbraw/zinc/17/65/83/202176583.db2.gz YQXLSSFGXVDLHZ-NSHDSACASA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@](C)(O)C2)s1 ZINC000450473073 202176585 /nfs/dbraw/zinc/17/65/85/202176585.db2.gz YQXLSSFGXVDLHZ-NSHDSACASA-N 1 2 241.360 1.618 20 0 BDADLO CC[C@@H]1CCC[C@@H]([NH2+][C@H](COC)C(=O)OC)C1 ZINC000355053370 356748684 /nfs/dbraw/zinc/74/86/84/356748684.db2.gz OSVPAHLHUIAVPB-IJLUTSLNSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1ccc(NC(=O)N2CC([C@@H](C)O)C2)c(C)[nH+]1 ZINC000639795411 356752006 /nfs/dbraw/zinc/75/20/06/356752006.db2.gz KDRQPHSXZDZMRJ-SNVBAGLBSA-N 1 2 249.314 1.543 20 0 BDADLO O=C(Nc1ccsc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639797912 356757463 /nfs/dbraw/zinc/75/74/63/356757463.db2.gz VMAAWVVYPUWZNT-SECBINFHSA-N 1 2 248.311 1.691 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000639839291 356833543 /nfs/dbraw/zinc/83/35/43/356833543.db2.gz QUHUHJZUODBWIP-LBPRGKRZSA-N 1 2 222.288 1.074 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC000639839291 356833548 /nfs/dbraw/zinc/83/35/48/356833548.db2.gz QUHUHJZUODBWIP-LBPRGKRZSA-N 1 2 222.288 1.074 20 0 BDADLO CCCCOCC[N@@H+]1CCO[C@H](OC)C1 ZINC000639832279 356817558 /nfs/dbraw/zinc/81/75/58/356817558.db2.gz FFFBWFGJCITQOO-NSHDSACASA-N 1 2 217.309 1.108 20 0 BDADLO CCCCOCC[N@H+]1CCO[C@H](OC)C1 ZINC000639832279 356817560 /nfs/dbraw/zinc/81/75/60/356817560.db2.gz FFFBWFGJCITQOO-NSHDSACASA-N 1 2 217.309 1.108 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H](O)CCC(C)C)CCO1 ZINC000639836068 356826468 /nfs/dbraw/zinc/82/64/68/356826468.db2.gz FSPTYKCPPZUING-NEPJUHHUSA-N 1 2 231.336 1.088 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H](O)CCC(C)C)CCO1 ZINC000639836068 356826470 /nfs/dbraw/zinc/82/64/70/356826470.db2.gz FSPTYKCPPZUING-NEPJUHHUSA-N 1 2 231.336 1.088 20 0 BDADLO CC1(C)CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000359363573 356888973 /nfs/dbraw/zinc/88/89/73/356888973.db2.gz RHXFOMLWVMNDSI-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccnc1 ZINC000359285338 356887289 /nfs/dbraw/zinc/88/72/89/356887289.db2.gz HBKFOUMUNBTXOQ-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccnc1 ZINC000359285338 356887293 /nfs/dbraw/zinc/88/72/93/356887293.db2.gz HBKFOUMUNBTXOQ-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CN(CC1CCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000352054012 538711019 /nfs/dbraw/zinc/71/10/19/538711019.db2.gz YFMMQEIBFSICAC-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CN(CC1CCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000352054012 538711025 /nfs/dbraw/zinc/71/10/25/538711025.db2.gz YFMMQEIBFSICAC-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C12CC(C1)C2 ZINC000623366209 356841996 /nfs/dbraw/zinc/84/19/96/356841996.db2.gz PRPZXEQGMUKYJC-UHFFFAOYSA-N 1 2 219.288 1.190 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)n(C)n1 ZINC000352104019 538717521 /nfs/dbraw/zinc/71/75/21/538717521.db2.gz AXAYHQBWCREQLG-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)n(C)n1 ZINC000352104019 538717531 /nfs/dbraw/zinc/71/75/31/538717531.db2.gz AXAYHQBWCREQLG-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000361245687 356922201 /nfs/dbraw/zinc/92/22/01/356922201.db2.gz QGLGVXSJKXRRMA-BFQNTYOBSA-N 1 2 247.404 1.236 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000361245687 356922203 /nfs/dbraw/zinc/92/22/03/356922203.db2.gz QGLGVXSJKXRRMA-BFQNTYOBSA-N 1 2 247.404 1.236 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)[C@@H]1CCOC1 ZINC000361587162 356934850 /nfs/dbraw/zinc/93/48/50/356934850.db2.gz ITGFUWKNZMKHAL-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)[C@@H]1CCOC1 ZINC000361587162 356934852 /nfs/dbraw/zinc/93/48/52/356934852.db2.gz ITGFUWKNZMKHAL-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CCCCS[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359678316 356893714 /nfs/dbraw/zinc/89/37/14/356893714.db2.gz HYNXRTLHJRVKLS-SECBINFHSA-N 1 2 241.360 1.948 20 0 BDADLO CCCCS[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359678316 356893716 /nfs/dbraw/zinc/89/37/16/356893716.db2.gz HYNXRTLHJRVKLS-SECBINFHSA-N 1 2 241.360 1.948 20 0 BDADLO CCc1nc(N(CC)[C@@H]2CCOC2)cc(C)[nH+]1 ZINC000359968053 356899016 /nfs/dbraw/zinc/89/90/16/356899016.db2.gz MPSUZAMNUGAINX-LLVKDONJSA-N 1 2 235.331 1.963 20 0 BDADLO CCc1nc(N(CC)[C@H]2CCOC2)cc(C)[nH+]1 ZINC000359968054 356899295 /nfs/dbraw/zinc/89/92/95/356899295.db2.gz MPSUZAMNUGAINX-NSHDSACASA-N 1 2 235.331 1.963 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCNC(=O)C1 ZINC000543058097 325068922 /nfs/dbraw/zinc/06/89/22/325068922.db2.gz PDHRONBPVLQZPX-VIFPVBQESA-N 1 2 224.329 1.111 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+]1CCNC(=O)C1 ZINC000543058097 325068925 /nfs/dbraw/zinc/06/89/25/325068925.db2.gz PDHRONBPVLQZPX-VIFPVBQESA-N 1 2 224.329 1.111 20 0 BDADLO CC[C@@H](CO)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000450576713 202202660 /nfs/dbraw/zinc/20/26/60/202202660.db2.gz CWPKKSNEXUWVFH-VIFPVBQESA-N 1 2 234.303 1.473 20 0 BDADLO CCC[C@H](CNc1[nH+]c(C)nc2[nH]ccc21)OC ZINC000450579136 202203030 /nfs/dbraw/zinc/20/30/30/202203030.db2.gz BVEDWLNMUVVAHV-SNVBAGLBSA-N 1 2 248.330 1.915 20 0 BDADLO C[N@@H+]1CCN(CCCc2ccccc2)[C@H](CO)C1 ZINC000639866953 356987557 /nfs/dbraw/zinc/98/75/57/356987557.db2.gz AAYZJCBICHDJDS-HNNXBMFYSA-N 1 2 248.370 1.228 20 0 BDADLO C[N@H+]1CCN(CCCc2ccccc2)[C@H](CO)C1 ZINC000639866953 356987560 /nfs/dbraw/zinc/98/75/60/356987560.db2.gz AAYZJCBICHDJDS-HNNXBMFYSA-N 1 2 248.370 1.228 20 0 BDADLO Cc1c(F)cccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000399610802 356987756 /nfs/dbraw/zinc/98/77/56/356987756.db2.gz CHHOMAJAKDWHEP-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1c(F)cccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000399610802 356987758 /nfs/dbraw/zinc/98/77/58/356987758.db2.gz CHHOMAJAKDWHEP-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO F[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000450605397 202208801 /nfs/dbraw/zinc/20/88/01/202208801.db2.gz ZGUDKOVDRJDLBI-SNVBAGLBSA-N 1 2 236.294 1.625 20 0 BDADLO F[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000450605397 202208804 /nfs/dbraw/zinc/20/88/04/202208804.db2.gz ZGUDKOVDRJDLBI-SNVBAGLBSA-N 1 2 236.294 1.625 20 0 BDADLO c1cnnc(CNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000582288173 357020400 /nfs/dbraw/zinc/02/04/00/357020400.db2.gz QHUOUHPFGGKUJS-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO c1cnnc(CNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000582288173 357020404 /nfs/dbraw/zinc/02/04/04/357020404.db2.gz QHUOUHPFGGKUJS-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccc[nH]1 ZINC000355428292 538794104 /nfs/dbraw/zinc/79/41/04/538794104.db2.gz HDRMFVKJUHRLHS-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccc[nH]1 ZINC000355428292 538794112 /nfs/dbraw/zinc/79/41/12/538794112.db2.gz HDRMFVKJUHRLHS-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC1 ZINC000389981938 357076464 /nfs/dbraw/zinc/07/64/64/357076464.db2.gz KUAWWZNCLVBSMQ-NXEZZACHSA-N 1 2 247.285 1.963 20 0 BDADLO COC[C@H](CC(C)C)[NH2+]Cc1ccn[nH]1 ZINC000390007480 357083729 /nfs/dbraw/zinc/08/37/29/357083729.db2.gz XKQHHLOLDUSUSJ-NSHDSACASA-N 1 2 211.309 1.560 20 0 BDADLO COc1ccc[nH+]c1NCc1nnc(C)s1 ZINC000391901570 357137154 /nfs/dbraw/zinc/13/71/54/357137154.db2.gz FPIKFEILEFFAGL-UHFFFAOYSA-N 1 2 236.300 1.862 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000628408430 357203886 /nfs/dbraw/zinc/20/38/86/357203886.db2.gz AAFRJEWOCODEQO-DTORHVGOSA-N 1 2 224.329 1.741 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000628408430 357203887 /nfs/dbraw/zinc/20/38/87/357203887.db2.gz AAFRJEWOCODEQO-DTORHVGOSA-N 1 2 224.329 1.741 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376693176 357214022 /nfs/dbraw/zinc/21/40/22/357214022.db2.gz FAMFYWCAWPLFPI-SNVBAGLBSA-N 1 2 221.304 1.218 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000300043354 357176648 /nfs/dbraw/zinc/17/66/48/357176648.db2.gz WMWFTFVORSRKGP-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000300043354 357176650 /nfs/dbraw/zinc/17/66/50/357176650.db2.gz WMWFTFVORSRKGP-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO Cn1c[nH+]cc1CNc1ncnc2ccccc21 ZINC000356962106 538821190 /nfs/dbraw/zinc/82/11/90/538821190.db2.gz JOAVBOPVFFAOPA-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO C[C@H]1C[C@H]1C[NH2+]Cc1[nH]ncc1Br ZINC000393713467 357293460 /nfs/dbraw/zinc/29/34/60/357293460.db2.gz CIBPDHIYZGFZGJ-BQBZGAKWSA-N 1 2 244.136 1.918 20 0 BDADLO CC(C)n1ccc(CNCc2[nH]cc[nH+]2)n1 ZINC000393772393 357298682 /nfs/dbraw/zinc/29/86/82/357298682.db2.gz UUYFXSFIFMGQBM-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CSC1(C)C ZINC000393806643 357301330 /nfs/dbraw/zinc/30/13/30/357301330.db2.gz QNKITXSYXZHNCD-LURJTMIESA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CSC1(C)C ZINC000393806643 357301335 /nfs/dbraw/zinc/30/13/35/357301335.db2.gz QNKITXSYXZHNCD-LURJTMIESA-N 1 2 240.332 1.373 20 0 BDADLO CC1(C)C[NH+](Cc2n[nH]c(=O)[nH]2)CC(C)(C)C1 ZINC000342358563 535356526 /nfs/dbraw/zinc/35/65/26/535356526.db2.gz HJIMURFVVPCTML-UHFFFAOYSA-N 1 2 238.335 1.768 20 0 BDADLO c1cncc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000628426648 357255330 /nfs/dbraw/zinc/25/53/30/357255330.db2.gz DBJROLCJJFBSBI-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO Cc1ccoc1C[NH+]1CC2(C1)CCCO2 ZINC000628427130 357255760 /nfs/dbraw/zinc/25/57/60/357255760.db2.gz ICFKWTXIUDECDF-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO c1[nH+]c2ccccn2c1CN1CC2(C1)CCCO2 ZINC000628426954 357257448 /nfs/dbraw/zinc/25/74/48/357257448.db2.gz XBIQGBBAPCZBLI-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCCO3)cc2c1OCC2 ZINC000628426903 357257559 /nfs/dbraw/zinc/25/75/59/357257559.db2.gz TZHUJUPKIUQNCY-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO FCC[C@@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639894900 357259161 /nfs/dbraw/zinc/25/91/61/357259161.db2.gz VEXRQAVGAGKUOW-GFCCVEGCSA-N 1 2 239.294 1.080 20 0 BDADLO FCC[C@@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639894900 357259166 /nfs/dbraw/zinc/25/91/66/357259166.db2.gz VEXRQAVGAGKUOW-GFCCVEGCSA-N 1 2 239.294 1.080 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C(F)F ZINC000639899999 357311451 /nfs/dbraw/zinc/31/14/51/357311451.db2.gz OTHNPWGVQWGBOU-SSDOTTSWSA-N 1 2 229.230 1.587 20 0 BDADLO Cn1c[nH+]cc1CNc1nccc(C(F)F)n1 ZINC000357610560 538832002 /nfs/dbraw/zinc/83/20/02/538832002.db2.gz XXCZUQNALFODFV-UHFFFAOYSA-N 1 2 239.229 1.760 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCC(=O)C1)Cn1cc[nH+]c1 ZINC000582906863 357423693 /nfs/dbraw/zinc/42/36/93/357423693.db2.gz NAOJFTVGEQKPFD-GHMZBOCLSA-N 1 2 249.314 1.005 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)OC ZINC000102518547 357477475 /nfs/dbraw/zinc/47/74/75/357477475.db2.gz LXVFZPJKVMFWDM-SECBINFHSA-N 1 2 211.261 1.663 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)OC ZINC000102518547 357477477 /nfs/dbraw/zinc/47/74/77/357477477.db2.gz LXVFZPJKVMFWDM-SECBINFHSA-N 1 2 211.261 1.663 20 0 BDADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccco2)[nH]1 ZINC000459691902 357518187 /nfs/dbraw/zinc/51/81/87/357518187.db2.gz DQDJJGLRJDXTIO-UHFFFAOYSA-N 1 2 234.303 1.985 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000188732695 357565895 /nfs/dbraw/zinc/56/58/95/357565895.db2.gz VSKDWMBTZKVVQI-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cncc(F)c2)n1 ZINC000230942154 357584650 /nfs/dbraw/zinc/58/46/50/357584650.db2.gz LRRRNSHTUSHKMM-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CCC(C)(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000158575801 538864868 /nfs/dbraw/zinc/86/48/68/538864868.db2.gz YNPXXXKRYPTHGC-UHFFFAOYSA-N 1 2 242.363 1.261 20 0 BDADLO CO[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000231243588 357599543 /nfs/dbraw/zinc/59/95/43/357599543.db2.gz WZXQZAYWCRDYCH-ZJUUUORDSA-N 1 2 225.292 1.425 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000016433518 538884190 /nfs/dbraw/zinc/88/41/90/538884190.db2.gz FHHOWPQLNIZHKH-GXSJLCMTSA-N 1 2 236.315 1.581 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000016433518 538884192 /nfs/dbraw/zinc/88/41/92/538884192.db2.gz FHHOWPQLNIZHKH-GXSJLCMTSA-N 1 2 236.315 1.581 20 0 BDADLO CCc1nnc(NCc2c[nH+]cn2CC)s1 ZINC000232283059 357650910 /nfs/dbraw/zinc/65/09/10/357650910.db2.gz UWXCBZFDFFINRD-UHFFFAOYSA-N 1 2 237.332 1.929 20 0 BDADLO Cc1nc(NC[C@@H](C)N2CCCCC2=O)cc[nH+]1 ZINC000189964647 357678591 /nfs/dbraw/zinc/67/85/91/357678591.db2.gz KWYZTTQRDRCGSL-SNVBAGLBSA-N 1 2 248.330 1.598 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1nnnn1C ZINC000189820562 357673040 /nfs/dbraw/zinc/67/30/40/357673040.db2.gz NUYWYFHKXQILSU-RKDXNWHRSA-N 1 2 232.291 1.017 20 0 BDADLO CN(C)c1noc(C[N@H+](C)C2CCC2)n1 ZINC000189930232 357676478 /nfs/dbraw/zinc/67/64/78/357676478.db2.gz GYIUNBIRLRIFGP-UHFFFAOYSA-N 1 2 210.281 1.120 20 0 BDADLO CN(C)c1noc(C[N@@H+](C)C2CCC2)n1 ZINC000189930232 357676481 /nfs/dbraw/zinc/67/64/81/357676481.db2.gz GYIUNBIRLRIFGP-UHFFFAOYSA-N 1 2 210.281 1.120 20 0 BDADLO CCC[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)OCC ZINC000233357857 357713276 /nfs/dbraw/zinc/71/32/76/357713276.db2.gz QVKBESXEDCTJPO-MDZLAQPJSA-N 1 2 243.347 1.875 20 0 BDADLO CN(C[C@H]1CCCO1)c1cc(NC2CC2)[nH+]cn1 ZINC000583250448 357713706 /nfs/dbraw/zinc/71/37/06/357713706.db2.gz WXYQSSJJKRZWMV-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO CN(C[C@H]1CCCO1)c1cc(NC2CC2)nc[nH+]1 ZINC000583250448 357713708 /nfs/dbraw/zinc/71/37/08/357713708.db2.gz WXYQSSJJKRZWMV-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190094707 357683059 /nfs/dbraw/zinc/68/30/59/357683059.db2.gz JDNHIFHDBCCQJU-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190094707 357683061 /nfs/dbraw/zinc/68/30/61/357683061.db2.gz JDNHIFHDBCCQJU-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000190041699 357687827 /nfs/dbraw/zinc/68/78/27/357687827.db2.gz XQNGAQPQHKQEKK-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000190041699 357687829 /nfs/dbraw/zinc/68/78/29/357687829.db2.gz XQNGAQPQHKQEKK-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO CCOC[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233749375 357743663 /nfs/dbraw/zinc/74/36/63/357743663.db2.gz ACELJCFPWVDZPG-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO CCOC[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233749375 357743667 /nfs/dbraw/zinc/74/36/67/357743667.db2.gz ACELJCFPWVDZPG-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO CCOC[C@H]([NH2+]CC(=O)OC(C)(C)C)C(C)C ZINC000233771191 357746429 /nfs/dbraw/zinc/74/64/29/357746429.db2.gz LOMRHNFGFPSKMO-NSHDSACASA-N 1 2 245.363 1.979 20 0 BDADLO CC1(C)C[N@H+](CC(=O)N2CCC2)[C@@H]1c1ccco1 ZINC000639926578 357846817 /nfs/dbraw/zinc/84/68/17/357846817.db2.gz OIFPVLSGYUCNJG-CYBMUJFWSA-N 1 2 248.326 1.895 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)N2CCC2)[C@@H]1c1ccco1 ZINC000639926578 357846820 /nfs/dbraw/zinc/84/68/20/357846820.db2.gz OIFPVLSGYUCNJG-CYBMUJFWSA-N 1 2 248.326 1.895 20 0 BDADLO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csnn1 ZINC000398251136 357870744 /nfs/dbraw/zinc/87/07/44/357870744.db2.gz NMNJNRHUUVUGHR-LBPRGKRZSA-N 1 2 246.339 1.897 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398961449 357892078 /nfs/dbraw/zinc/89/20/78/357892078.db2.gz VCNRUBDQPLKSMF-TUAOUCFPSA-N 1 2 248.326 1.687 20 0 BDADLO CCN(C(=O)Nc1c(C)cc[nH+]c1C)C1COC1 ZINC000583795762 357948152 /nfs/dbraw/zinc/94/81/52/357948152.db2.gz QUUOEUMXWRFLJM-UHFFFAOYSA-N 1 2 249.314 1.951 20 0 BDADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC000583836594 357968790 /nfs/dbraw/zinc/96/87/90/357968790.db2.gz AAVQBZQEDZQPPK-LLVKDONJSA-N 1 2 235.331 1.778 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000628457679 358016456 /nfs/dbraw/zinc/01/64/56/358016456.db2.gz JFHXCTDRDDHBLF-NSHDSACASA-N 1 2 241.310 1.587 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000628457679 358016460 /nfs/dbraw/zinc/01/64/60/358016460.db2.gz JFHXCTDRDDHBLF-NSHDSACASA-N 1 2 241.310 1.587 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2c[nH]nc2C)n1 ZINC000639970432 358023015 /nfs/dbraw/zinc/02/30/15/358023015.db2.gz FWPIRSRIHFNEPG-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2c[nH]nc2C)n1 ZINC000639970432 358023017 /nfs/dbraw/zinc/02/30/17/358023017.db2.gz FWPIRSRIHFNEPG-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1cccnc1 ZINC000639970322 358023100 /nfs/dbraw/zinc/02/31/00/358023100.db2.gz LWXGXRUPXSXVSY-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cccnc1 ZINC000639970322 358023102 /nfs/dbraw/zinc/02/31/02/358023102.db2.gz LWXGXRUPXSXVSY-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1nnc(C[NH+]2CCC(CCF)CC2)o1 ZINC000639986916 358026944 /nfs/dbraw/zinc/02/69/44/358026944.db2.gz AGEAVCNDKVQZBV-UHFFFAOYSA-N 1 2 227.283 1.950 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000584545571 358046456 /nfs/dbraw/zinc/04/64/56/358046456.db2.gz JZVDIJQVFDGLRT-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000584545571 358046459 /nfs/dbraw/zinc/04/64/59/358046459.db2.gz JZVDIJQVFDGLRT-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CCn1cc[nH+]c1CNCc1cc(C)on1 ZINC000051924263 358102758 /nfs/dbraw/zinc/10/27/58/358102758.db2.gz WLZDUWVNOWEOLS-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CC[C@@]1(O)CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000640035170 358123725 /nfs/dbraw/zinc/12/37/25/358123725.db2.gz GWKZNECRBZRQDG-LLVKDONJSA-N 1 2 241.360 1.583 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000640035170 358123728 /nfs/dbraw/zinc/12/37/28/358123728.db2.gz GWKZNECRBZRQDG-LLVKDONJSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@](C)(O)C(F)(F)F ZINC000584729843 358167956 /nfs/dbraw/zinc/16/79/56/358167956.db2.gz GJFHAFSRYVEQRE-SECBINFHSA-N 1 2 249.236 1.241 20 0 BDADLO CO[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000547436722 325354431 /nfs/dbraw/zinc/35/44/31/325354431.db2.gz VGIMAGGWMKTVGN-GFCCVEGCSA-N 1 2 236.315 1.730 20 0 BDADLO O[C@@H]1CC[N@H+](CC(F)F)[C@@H]2CCCC[C@H]12 ZINC000640094486 358185879 /nfs/dbraw/zinc/18/58/79/358185879.db2.gz GKMKJNOQLRDVJY-IVZWLZJFSA-N 1 2 219.275 1.877 20 0 BDADLO O[C@@H]1CC[N@@H+](CC(F)F)[C@@H]2CCCC[C@H]12 ZINC000640094486 358185880 /nfs/dbraw/zinc/18/58/80/358185880.db2.gz GKMKJNOQLRDVJY-IVZWLZJFSA-N 1 2 219.275 1.877 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CC[C@@H](CO)C2)[nH+]1 ZINC000450647364 202224345 /nfs/dbraw/zinc/22/43/45/202224345.db2.gz TWMLJEKFCVZJGQ-ZJUUUORDSA-N 1 2 246.314 1.839 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H]([C@@H](C)O)C1 ZINC000584241994 491124728 /nfs/dbraw/zinc/12/47/28/491124728.db2.gz CQBCGVWLMHFYRO-KOLCDFICSA-N 1 2 221.304 1.301 20 0 BDADLO CC[C@@H]1[C@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000450662080 202230032 /nfs/dbraw/zinc/23/00/32/202230032.db2.gz WFNBDQXSURUVQK-NWDGAFQWSA-N 1 2 247.342 1.951 20 0 BDADLO C[N@H+](CCc1ccccc1O)Cc1cnns1 ZINC000450710323 202241668 /nfs/dbraw/zinc/24/16/68/202241668.db2.gz AZNAOHDORJRYJE-UHFFFAOYSA-N 1 2 249.339 1.918 20 0 BDADLO C[N@@H+](CCc1ccccc1O)Cc1cnns1 ZINC000450710323 202241671 /nfs/dbraw/zinc/24/16/71/202241671.db2.gz AZNAOHDORJRYJE-UHFFFAOYSA-N 1 2 249.339 1.918 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000450740352 202250488 /nfs/dbraw/zinc/25/04/88/202250488.db2.gz UZQSUUXFWJGAFW-DCAQKATOSA-N 1 2 231.336 1.181 20 0 BDADLO C[C@H](NCc1[nH]cc[nH+]1)c1cscn1 ZINC000229129104 358346091 /nfs/dbraw/zinc/34/60/91/358346091.db2.gz JAWCVNPJVHOLRL-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045310082 358410342 /nfs/dbraw/zinc/41/03/42/358410342.db2.gz CJYBNOOUHARPJP-UHFFFAOYSA-N 1 2 248.330 1.453 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000044424577 358549166 /nfs/dbraw/zinc/54/91/66/358549166.db2.gz KYPOCLRVBCMQBB-SCZZXKLOSA-N 1 2 239.319 1.376 20 0 BDADLO COC(=O)CCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129867424 358599742 /nfs/dbraw/zinc/59/97/42/358599742.db2.gz SWYMDYRSSPERJG-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO COC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129867424 358599743 /nfs/dbraw/zinc/59/97/43/358599743.db2.gz SWYMDYRSSPERJG-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@@H](C)O)o1 ZINC000131288639 358663943 /nfs/dbraw/zinc/66/39/43/358663943.db2.gz VFRLSOREBHOOHJ-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@@H](C)O)o1 ZINC000131288639 358663945 /nfs/dbraw/zinc/66/39/45/358663945.db2.gz VFRLSOREBHOOHJ-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CO[C@H](C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000049118398 358673379 /nfs/dbraw/zinc/67/33/79/358673379.db2.gz LKVCMMKLYNRNKF-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000133156359 358747274 /nfs/dbraw/zinc/74/72/74/358747274.db2.gz MUWKDPOHKWXXJL-UWVGGRQHSA-N 1 2 249.314 1.511 20 0 BDADLO COC(=O)[C@@H](C)NCc1cc(OC)cc(C)[nH+]1 ZINC000214129429 358759186 /nfs/dbraw/zinc/75/91/86/358759186.db2.gz QBYGGUYAAHVTAN-SECBINFHSA-N 1 2 238.287 1.050 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000051838184 358764077 /nfs/dbraw/zinc/76/40/77/358764077.db2.gz GBJMVSAEYREDET-JTQLQIEISA-N 1 2 247.298 1.549 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000051838184 358764083 /nfs/dbraw/zinc/76/40/83/358764083.db2.gz GBJMVSAEYREDET-JTQLQIEISA-N 1 2 247.298 1.549 20 0 BDADLO COc1ncccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176451920 134291643 /nfs/dbraw/zinc/29/16/43/134291643.db2.gz RUXKHOAIWDRMAV-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000176045571 134289914 /nfs/dbraw/zinc/28/99/14/134289914.db2.gz DNMUVUNSXGWUDD-VHSXEESVSA-N 1 2 219.288 1.115 20 0 BDADLO c1csc(C[NH+]2CCC(n3cncn3)CC2)n1 ZINC000135018232 358817039 /nfs/dbraw/zinc/81/70/39/358817039.db2.gz HABNXDBWVIEIFK-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H](F)C1 ZINC000578238411 366461370 /nfs/dbraw/zinc/46/13/70/366461370.db2.gz AMRYXJGICNTBQQ-ZJUUUORDSA-N 1 2 239.294 1.739 20 0 BDADLO Cc1ccc(O)c(CN2CCn3cc[nH+]c3C2)n1 ZINC000134211836 358784072 /nfs/dbraw/zinc/78/40/72/358784072.db2.gz FSFZGFDOCOPCMS-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cc1nc(NCCC(=O)NC(C)(C)C)cc[nH+]1 ZINC000134781667 358806304 /nfs/dbraw/zinc/80/63/04/358806304.db2.gz DIQBJCKJXHRJHQ-UHFFFAOYSA-N 1 2 236.319 1.502 20 0 BDADLO Cc1cc(F)ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000135349695 358833501 /nfs/dbraw/zinc/83/35/01/358833501.db2.gz PFUKFGKHOBYZSF-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1cc(F)ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000135349695 358833505 /nfs/dbraw/zinc/83/35/05/358833505.db2.gz PFUKFGKHOBYZSF-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055052387 358880636 /nfs/dbraw/zinc/88/06/36/358880636.db2.gz NHQCQMDPJUMRNV-JTQLQIEISA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055052387 358880640 /nfs/dbraw/zinc/88/06/40/358880640.db2.gz NHQCQMDPJUMRNV-JTQLQIEISA-N 1 2 238.331 1.935 20 0 BDADLO CCC[N@H+](C)Cc1nc(-c2cc(=O)[nH]cn2)no1 ZINC000351375149 366520228 /nfs/dbraw/zinc/52/02/28/366520228.db2.gz RQMZLKKCDNFPOH-UHFFFAOYSA-N 1 2 249.274 1.074 20 0 BDADLO CCC[N@@H+](C)Cc1nc(-c2cc(=O)[nH]cn2)no1 ZINC000351375149 366520231 /nfs/dbraw/zinc/52/02/31/366520231.db2.gz RQMZLKKCDNFPOH-UHFFFAOYSA-N 1 2 249.274 1.074 20 0 BDADLO CC[C@H](NC(=O)Cc1cccnc1)c1[nH]cc[nH+]1 ZINC000140516437 358922651 /nfs/dbraw/zinc/92/26/51/358922651.db2.gz WHMHIQOJJUDBQR-NSHDSACASA-N 1 2 244.298 1.615 20 0 BDADLO CC[C@@H](NC(=O)c1ncccc1C)c1[nH]cc[nH+]1 ZINC000140584164 358923664 /nfs/dbraw/zinc/92/36/64/358923664.db2.gz DRALGPNSKMSBNK-SNVBAGLBSA-N 1 2 244.298 1.994 20 0 BDADLO CC[C@H](NC(=O)c1ocnc1C)c1[nH]cc[nH+]1 ZINC000140618854 358923854 /nfs/dbraw/zinc/92/38/54/358923854.db2.gz CCWSOEDBQCZJJQ-QMMMGPOBSA-N 1 2 234.259 1.587 20 0 BDADLO Clc1cc(C[N@@H+]2CCCOCC2)ccn1 ZINC000060390206 358924642 /nfs/dbraw/zinc/92/46/42/358924642.db2.gz QYALMYJNRQWWBT-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1cc(C[N@H+]2CCCOCC2)ccn1 ZINC000060390206 358924645 /nfs/dbraw/zinc/92/46/45/358924645.db2.gz QYALMYJNRQWWBT-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO CN(C)C(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000640228349 358938917 /nfs/dbraw/zinc/93/89/17/358938917.db2.gz FLKPZEJMQMRQCD-UHFFFAOYSA-N 1 2 212.293 1.023 20 0 BDADLO CN(C)C(=O)CC[N@H+]1OC2CCC1CC2 ZINC000640228349 358938919 /nfs/dbraw/zinc/93/89/19/358938919.db2.gz FLKPZEJMQMRQCD-UHFFFAOYSA-N 1 2 212.293 1.023 20 0 BDADLO Cn1cc[nH+]c1CN1OC2CCC1CC2 ZINC000640227978 358938943 /nfs/dbraw/zinc/93/89/43/358938943.db2.gz AJWVOZMIFUKDSE-UHFFFAOYSA-N 1 2 207.277 1.479 20 0 BDADLO O=C(C[NH2+]Cc1ncc[nH]1)Nc1ccc(F)cc1 ZINC000067695882 359026616 /nfs/dbraw/zinc/02/66/16/359026616.db2.gz KKQTULMMDSNBQN-UHFFFAOYSA-N 1 2 248.261 1.277 20 0 BDADLO CCc1cc(N[C@@H](C)CC[S@](C)=O)nc[nH+]1 ZINC000130269467 358995752 /nfs/dbraw/zinc/99/57/52/358995752.db2.gz XDBALVYBZBDYFT-XXFAHNHDSA-N 1 2 241.360 1.608 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2[nH]ccc2c1 ZINC000070991207 359069877 /nfs/dbraw/zinc/06/98/77/359069877.db2.gz IEUQVEMAKZSFFF-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(CCc1ccc(F)cc1)NCc1[nH]cc[nH+]1 ZINC000070990414 359070097 /nfs/dbraw/zinc/07/00/97/359070097.db2.gz RDADVRYWXYALMM-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1COc2ccccc21 ZINC000070991449 359070439 /nfs/dbraw/zinc/07/04/39/359070439.db2.gz PZJHGIBUDNEFKN-JTQLQIEISA-N 1 2 243.266 1.202 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871927 359107199 /nfs/dbraw/zinc/10/71/99/359107199.db2.gz CKSYKYUXZAVPLN-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871927 359107203 /nfs/dbraw/zinc/10/72/03/359107203.db2.gz CKSYKYUXZAVPLN-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO COc1ncccc1C[NH2+][C@H](C)c1nccn1C ZINC000070444959 359054876 /nfs/dbraw/zinc/05/48/76/359054876.db2.gz JIIHQIIOUDEZGZ-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC=CCC1 ZINC000070650710 359060810 /nfs/dbraw/zinc/06/08/10/359060810.db2.gz UJEWDTOZNNZKLC-JTQLQIEISA-N 1 2 219.288 1.724 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070651651 359061585 /nfs/dbraw/zinc/06/15/85/359061585.db2.gz OTJFOCSOGVPJGJ-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000247205212 359202387 /nfs/dbraw/zinc/20/23/87/359202387.db2.gz LZOPWHZPVJLCHH-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000247205212 359202391 /nfs/dbraw/zinc/20/23/91/359202391.db2.gz LZOPWHZPVJLCHH-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO Cn1cc(C[NH+]2CC(Cc3cccs3)C2)nn1 ZINC000628478554 359313813 /nfs/dbraw/zinc/31/38/13/359313813.db2.gz HNHJJMLAXIHBLV-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501636 359383386 /nfs/dbraw/zinc/38/33/86/359383386.db2.gz GAZXBKWKJDLSFB-XHNCKOQMSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501636 359383390 /nfs/dbraw/zinc/38/33/90/359383390.db2.gz GAZXBKWKJDLSFB-XHNCKOQMSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580432 359398457 /nfs/dbraw/zinc/39/84/57/359398457.db2.gz WGCQKEJKRCMPBK-SFYZADRCSA-N 1 2 237.246 1.252 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580432 359398462 /nfs/dbraw/zinc/39/84/62/359398462.db2.gz WGCQKEJKRCMPBK-SFYZADRCSA-N 1 2 237.246 1.252 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000611934317 359480998 /nfs/dbraw/zinc/48/09/98/359480998.db2.gz CRYPDCKMXGYMEP-MXWKQRLJSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000611934317 359481001 /nfs/dbraw/zinc/48/10/01/359481001.db2.gz CRYPDCKMXGYMEP-MXWKQRLJSA-N 1 2 247.342 1.772 20 0 BDADLO CCOC1(C(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000611793295 359452052 /nfs/dbraw/zinc/45/20/52/359452052.db2.gz AUSHAOQTQOHGNP-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000611796483 359452478 /nfs/dbraw/zinc/45/24/78/359452478.db2.gz ZOHOKZQHRNQBJK-MYJAWHEDSA-N 1 2 219.288 1.380 20 0 BDADLO C[C@@H](CC(=O)N1CCCC1)n1cc[nH+]c1 ZINC000574993528 359529590 /nfs/dbraw/zinc/52/95/90/359529590.db2.gz XBRRWRNXQMNYDY-JTQLQIEISA-N 1 2 207.277 1.457 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000580465815 359570024 /nfs/dbraw/zinc/57/00/24/359570024.db2.gz XWOVPIUJNGRPAV-HRDYMLBCSA-N 1 2 223.276 1.196 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000580465815 359570029 /nfs/dbraw/zinc/57/00/29/359570029.db2.gz XWOVPIUJNGRPAV-HRDYMLBCSA-N 1 2 223.276 1.196 20 0 BDADLO C[C@@H]1C[C@H]1c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000580465816 359570371 /nfs/dbraw/zinc/57/03/71/359570371.db2.gz XWOVPIUJNGRPAV-IWSPIJDZSA-N 1 2 223.276 1.196 20 0 BDADLO C[C@@H]1C[C@H]1c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000580465816 359570373 /nfs/dbraw/zinc/57/03/73/359570373.db2.gz XWOVPIUJNGRPAV-IWSPIJDZSA-N 1 2 223.276 1.196 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000231277482 359665123 /nfs/dbraw/zinc/66/51/23/359665123.db2.gz UPOXJIZPCPLYOZ-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000231277482 359665124 /nfs/dbraw/zinc/66/51/24/359665124.db2.gz UPOXJIZPCPLYOZ-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H](C)O ZINC000450787706 202266283 /nfs/dbraw/zinc/26/62/83/202266283.db2.gz BLRBOKOFHCIVAU-PSASIEDQSA-N 1 2 221.304 1.347 20 0 BDADLO CCc1cc(N[C@H](C)[C@@H](C)OC)nc[nH+]1 ZINC000309051093 491143664 /nfs/dbraw/zinc/14/36/64/491143664.db2.gz RDZBLOZUSDVRMC-RKDXNWHRSA-N 1 2 209.293 1.874 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCOC[C@@H]1C ZINC000380173843 359750341 /nfs/dbraw/zinc/75/03/41/359750341.db2.gz MKMLCUSFMNKNOE-WCBMZHEXSA-N 1 2 237.303 1.007 20 0 BDADLO CC(=O)N[C@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000107292258 359737988 /nfs/dbraw/zinc/73/79/88/359737988.db2.gz UATZDECYICAMRS-LBPRGKRZSA-N 1 2 249.314 1.489 20 0 BDADLO Cn1c[nH+]cc1COc1ccc(F)nc1 ZINC000169204341 359775189 /nfs/dbraw/zinc/77/51/89/359775189.db2.gz YPXNGFCEMMZWOO-UHFFFAOYSA-N 1 2 207.208 1.533 20 0 BDADLO CCOC(=O)c1ccc(Cn2cc[nH+]c2)nc1 ZINC000450896105 202302944 /nfs/dbraw/zinc/30/29/44/202302944.db2.gz MMKKLBCHLKRIJU-UHFFFAOYSA-N 1 2 231.255 1.503 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450899011 202303707 /nfs/dbraw/zinc/30/37/07/202303707.db2.gz CSDWKMQIGHOVJC-IUCAKERBSA-N 1 2 243.282 1.703 20 0 BDADLO C[C@H](F)CC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450899011 202303709 /nfs/dbraw/zinc/30/37/09/202303709.db2.gz CSDWKMQIGHOVJC-IUCAKERBSA-N 1 2 243.282 1.703 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCCCF)C2)O1 ZINC000450913746 202308389 /nfs/dbraw/zinc/30/83/89/202308389.db2.gz ZFQMLCCMINIQQU-SECBINFHSA-N 1 2 243.282 1.704 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@H+](CCCCF)C2)O1 ZINC000450913746 202308392 /nfs/dbraw/zinc/30/83/92/202308392.db2.gz ZFQMLCCMINIQQU-SECBINFHSA-N 1 2 243.282 1.704 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCCCF)C2)o1 ZINC000450913746 202308395 /nfs/dbraw/zinc/30/83/95/202308395.db2.gz ZFQMLCCMINIQQU-SECBINFHSA-N 1 2 243.282 1.704 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCCCF)C2)o1 ZINC000450913746 202308396 /nfs/dbraw/zinc/30/83/96/202308396.db2.gz ZFQMLCCMINIQQU-SECBINFHSA-N 1 2 243.282 1.704 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cccnc1N ZINC000450866398 202293748 /nfs/dbraw/zinc/29/37/48/202293748.db2.gz FYDKLNCQLYRMQE-UHFFFAOYSA-N 1 2 245.330 1.512 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cccnc1N ZINC000450866398 202293751 /nfs/dbraw/zinc/29/37/51/202293751.db2.gz FYDKLNCQLYRMQE-UHFFFAOYSA-N 1 2 245.330 1.512 20 0 BDADLO Cc1cc(N2C[C@H](O)C[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000450933746 202312440 /nfs/dbraw/zinc/31/24/40/202312440.db2.gz AUOPFJMKJASTKC-JOYOIKCWSA-N 1 2 247.342 1.870 20 0 BDADLO CCc1cc(N)nc(SCC[C@H](C)O)[nH+]1 ZINC000450928749 202312802 /nfs/dbraw/zinc/31/28/02/202312802.db2.gz GGLHPEPSUKOEGC-ZETCQYMHSA-N 1 2 227.333 1.315 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450993455 202330029 /nfs/dbraw/zinc/33/00/29/202330029.db2.gz QBNRLZGVVQFSRE-IUCAKERBSA-N 1 2 242.298 1.785 20 0 BDADLO C[C@H](F)CC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450993455 202330032 /nfs/dbraw/zinc/33/00/32/202330032.db2.gz QBNRLZGVVQFSRE-IUCAKERBSA-N 1 2 242.298 1.785 20 0 BDADLO CCn1c[nH+]cc1CN=c1nc[nH]n1C(C)(C)C ZINC000578503585 366581302 /nfs/dbraw/zinc/58/13/02/366581302.db2.gz XQGQGIUDAPBZIC-UHFFFAOYSA-N 1 2 248.334 1.284 20 0 BDADLO CN(C)C(=O)CSCc1c[nH+]c2ccccn12 ZINC000451084312 202351408 /nfs/dbraw/zinc/35/14/08/202351408.db2.gz QRGHTCNLUHNNNC-UHFFFAOYSA-N 1 2 249.339 1.656 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451112659 202353395 /nfs/dbraw/zinc/35/33/95/202353395.db2.gz APOLXJRKPHIQQJ-JQWIXIFHSA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451112659 202353398 /nfs/dbraw/zinc/35/33/98/202353398.db2.gz APOLXJRKPHIQQJ-JQWIXIFHSA-N 1 2 230.327 1.725 20 0 BDADLO CC(C)[N@H+](C[C@H](O)C(F)(F)F)C1COC1 ZINC000451120868 202358115 /nfs/dbraw/zinc/35/81/15/202358115.db2.gz OEGILDZWISYSHL-QMMMGPOBSA-N 1 2 227.226 1.019 20 0 BDADLO CC(C)[N@@H+](C[C@H](O)C(F)(F)F)C1COC1 ZINC000451120868 202358119 /nfs/dbraw/zinc/35/81/19/202358119.db2.gz OEGILDZWISYSHL-QMMMGPOBSA-N 1 2 227.226 1.019 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451123972 202360255 /nfs/dbraw/zinc/36/02/55/202360255.db2.gz WOKSGMKRGFQBHY-LBPRGKRZSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451123972 202360258 /nfs/dbraw/zinc/36/02/58/202360258.db2.gz WOKSGMKRGFQBHY-LBPRGKRZSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)n1cc[nH+]c1CN(C1CC1)C1COC1 ZINC000451124125 202360264 /nfs/dbraw/zinc/36/02/64/202360264.db2.gz CRGMCHNFLSFQJL-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO FC(F)C(F)(F)COCC[N@@H+]1CC[C@@H](F)C1 ZINC000451198752 202378757 /nfs/dbraw/zinc/37/87/57/202378757.db2.gz PUCXHBRNBUFSES-SSDOTTSWSA-N 1 2 247.207 1.947 20 0 BDADLO FC(F)C(F)(F)COCC[N@H+]1CC[C@@H](F)C1 ZINC000451198752 202378758 /nfs/dbraw/zinc/37/87/58/202378758.db2.gz PUCXHBRNBUFSES-SSDOTTSWSA-N 1 2 247.207 1.947 20 0 BDADLO CCCN(CCC)C(=O)C[N@H+](CC)C1COC1 ZINC000451282793 202395168 /nfs/dbraw/zinc/39/51/68/202395168.db2.gz FJMYGQUUBHZWEG-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO CCCN(CCC)C(=O)C[N@@H+](CC)C1COC1 ZINC000451282793 202395171 /nfs/dbraw/zinc/39/51/71/202395171.db2.gz FJMYGQUUBHZWEG-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCOCC1 ZINC000578549681 366597003 /nfs/dbraw/zinc/59/70/03/366597003.db2.gz WPVPORCBYUYRBV-UHFFFAOYSA-N 1 2 207.277 1.320 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000087710541 359925216 /nfs/dbraw/zinc/92/52/16/359925216.db2.gz HWRGKQDARWSUPL-NWDGAFQWSA-N 1 2 235.331 1.847 20 0 BDADLO CCN(Cc1cn2c(cccc2C)[nH+]1)C1COC1 ZINC000451285503 202392817 /nfs/dbraw/zinc/39/28/17/202392817.db2.gz NEIWOVQCPIPYBD-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@H+](Cc1cn2c(cccc2C)n1)C1COC1 ZINC000451285503 202392820 /nfs/dbraw/zinc/39/28/20/202392820.db2.gz NEIWOVQCPIPYBD-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@@H+](Cc1cn2c(cccc2C)n1)C1COC1 ZINC000451285503 202392823 /nfs/dbraw/zinc/39/28/23/202392823.db2.gz NEIWOVQCPIPYBD-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1Cc2ccccc21 ZINC000088452443 359955259 /nfs/dbraw/zinc/95/52/59/359955259.db2.gz DMAXIORVPMXHQH-GFCCVEGCSA-N 1 2 241.294 1.708 20 0 BDADLO Cc1cccc(CC[N@H+]2CCN(C)C(=O)C2)c1 ZINC000578953308 366678511 /nfs/dbraw/zinc/67/85/11/366678511.db2.gz KJVPMVSPRFHWNN-UHFFFAOYSA-N 1 2 232.327 1.312 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000578953308 366678517 /nfs/dbraw/zinc/67/85/17/366678517.db2.gz KJVPMVSPRFHWNN-UHFFFAOYSA-N 1 2 232.327 1.312 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000578954251 366678585 /nfs/dbraw/zinc/67/85/85/366678585.db2.gz VDXGABDKQLRBKR-CMPLNLGQSA-N 1 2 231.299 1.732 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000578958591 366679606 /nfs/dbraw/zinc/67/96/06/366679606.db2.gz SZAZTGRWDVGRGP-CHWFTXMASA-N 1 2 248.330 1.987 20 0 BDADLO CCc1cc(N)nc(S[C@@H]2CCCOC2)[nH+]1 ZINC000309279171 491147023 /nfs/dbraw/zinc/14/70/23/491147023.db2.gz MWAVPBQMJOKUKU-SECBINFHSA-N 1 2 239.344 1.892 20 0 BDADLO Cc1cccn2c(CN3CCOC[C@@H]3C)c[nH+]c12 ZINC000091810531 360131918 /nfs/dbraw/zinc/13/19/18/360131918.db2.gz JFHBUXQXGPKFDG-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000092428868 360171803 /nfs/dbraw/zinc/17/18/03/360171803.db2.gz VJKRPFCRDHLURZ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000092428868 360171807 /nfs/dbraw/zinc/17/18/07/360171807.db2.gz VJKRPFCRDHLURZ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000093342588 360234896 /nfs/dbraw/zinc/23/48/96/360234896.db2.gz JPRHIINFQOEQGA-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000093342588 360234901 /nfs/dbraw/zinc/23/49/01/360234901.db2.gz JPRHIINFQOEQGA-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)c(F)c1 ZINC000094203666 360299890 /nfs/dbraw/zinc/29/98/90/360299890.db2.gz OWPTXOCWKGAMNR-UHFFFAOYSA-N 1 2 236.290 1.522 20 0 BDADLO Cc1cc(NC(=O)NCC[C@@H](C)O)c(C)c[nH+]1 ZINC000551993090 325581086 /nfs/dbraw/zinc/58/10/86/325581086.db2.gz OXUMJHWUWGOUAW-SNVBAGLBSA-N 1 2 237.303 1.013 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000096785736 360353784 /nfs/dbraw/zinc/35/37/84/360353784.db2.gz ZISXWXCJAAHWOH-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc(C(C)C)[nH+]cn2)C1 ZINC000096474538 360348725 /nfs/dbraw/zinc/34/87/25/360348725.db2.gz DHFBBLPTRJOIBA-JTQLQIEISA-N 1 2 249.314 1.599 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000096643163 360351461 /nfs/dbraw/zinc/35/14/61/360351461.db2.gz MFSVKFUKEHDTSD-GFCCVEGCSA-N 1 2 247.342 1.848 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000061191270 360314707 /nfs/dbraw/zinc/31/47/07/360314707.db2.gz KWFPJXVHWFMFPS-UHFFFAOYSA-N 1 2 209.293 1.961 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000061191270 360314710 /nfs/dbraw/zinc/31/47/10/360314710.db2.gz KWFPJXVHWFMFPS-UHFFFAOYSA-N 1 2 209.293 1.961 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000094687817 360316428 /nfs/dbraw/zinc/31/64/28/360316428.db2.gz XVLKOZZTDWKOPB-GFCCVEGCSA-N 1 2 235.283 1.530 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000094687817 360316431 /nfs/dbraw/zinc/31/64/31/360316431.db2.gz XVLKOZZTDWKOPB-GFCCVEGCSA-N 1 2 235.283 1.530 20 0 BDADLO O=C(Nc1ccccn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096785926 360355632 /nfs/dbraw/zinc/35/56/32/360355632.db2.gz XHBRYOANRSHOKH-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000614152292 363737815 /nfs/dbraw/zinc/73/78/15/363737815.db2.gz WQHNGWZBHOTEEY-TUTUZKQUSA-N 1 2 245.326 1.438 20 0 BDADLO CC1(C)CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614199267 363741170 /nfs/dbraw/zinc/74/11/70/363741170.db2.gz RDOYSWFUCQPVIT-VIFPVBQESA-N 1 2 233.315 1.383 20 0 BDADLO CC1(C)CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614199267 363741174 /nfs/dbraw/zinc/74/11/74/363741174.db2.gz RDOYSWFUCQPVIT-VIFPVBQESA-N 1 2 233.315 1.383 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000631523021 360559181 /nfs/dbraw/zinc/55/91/81/360559181.db2.gz CURNANFJYIHSAF-UWVGGRQHSA-N 1 2 232.287 1.592 20 0 BDADLO CC(C)n1nccc1C[NH2+]Cc1ncc[nH]1 ZINC000394573755 360625548 /nfs/dbraw/zinc/62/55/48/360625548.db2.gz UPKUAGDHTMTKTG-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(C1CC1)C1CC1 ZINC000628814737 360678568 /nfs/dbraw/zinc/67/85/68/360678568.db2.gz MRIXEJMNMQIXHW-UHFFFAOYSA-N 1 2 205.261 1.037 20 0 BDADLO Cc1ccccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628925057 360758492 /nfs/dbraw/zinc/75/84/92/360758492.db2.gz DXGNTODUMGVCAO-GFCCVEGCSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1ccccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628925057 360758495 /nfs/dbraw/zinc/75/84/95/360758495.db2.gz DXGNTODUMGVCAO-GFCCVEGCSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC(=O)C1CCCC1 ZINC000628990384 360784521 /nfs/dbraw/zinc/78/45/21/360784521.db2.gz CUSNMRDMWCCTRS-UHFFFAOYSA-N 1 2 249.314 1.136 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC(=O)C1CCCC1 ZINC000628990384 360784528 /nfs/dbraw/zinc/78/45/28/360784528.db2.gz CUSNMRDMWCCTRS-UHFFFAOYSA-N 1 2 249.314 1.136 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(C)nc1 ZINC000153682531 360776397 /nfs/dbraw/zinc/77/63/97/360776397.db2.gz HHNKQNXDNLDZBO-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C)nc1 ZINC000153682531 360776400 /nfs/dbraw/zinc/77/64/00/360776400.db2.gz HHNKQNXDNLDZBO-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000629032547 360812718 /nfs/dbraw/zinc/81/27/18/360812718.db2.gz NOAHZFTUVHXDCY-XADBCAIWSA-N 1 2 219.288 1.207 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000629032547 360812720 /nfs/dbraw/zinc/81/27/20/360812720.db2.gz NOAHZFTUVHXDCY-XADBCAIWSA-N 1 2 219.288 1.207 20 0 BDADLO NC(=O)c1csc(C[NH+]2CCSCC2)c1 ZINC000126230349 181311498 /nfs/dbraw/zinc/31/14/98/181311498.db2.gz PBCXYRUEPHJYRU-UHFFFAOYSA-N 1 2 242.369 1.396 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629048866 360845456 /nfs/dbraw/zinc/84/54/56/360845456.db2.gz VTAOLAXAXBJHCQ-GNXNZQSNSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629048866 360845457 /nfs/dbraw/zinc/84/54/57/360845457.db2.gz VTAOLAXAXBJHCQ-GNXNZQSNSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1c[nH]c(CNc2cncc(N(C)C)c2)[nH+]1 ZINC000631203423 360902447 /nfs/dbraw/zinc/90/24/47/360902447.db2.gz PMCNHWPPIVFWLA-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629128186 360892183 /nfs/dbraw/zinc/89/21/83/360892183.db2.gz QVRJHTYMSIFFAP-MNOVXSKESA-N 1 2 249.314 1.026 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)nc(N)[nH+]1 ZINC000631204257 360929671 /nfs/dbraw/zinc/92/96/71/360929671.db2.gz YBANIWOHENFTBE-GDPRMGEGSA-N 1 2 247.346 1.607 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000631204257 360929676 /nfs/dbraw/zinc/92/96/76/360929676.db2.gz YBANIWOHENFTBE-GDPRMGEGSA-N 1 2 247.346 1.607 20 0 BDADLO CCn1nc(C)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000629252558 360976719 /nfs/dbraw/zinc/97/67/19/360976719.db2.gz CWPRYWYNZQYFNX-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO CCn1nc(C)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000629252558 360976727 /nfs/dbraw/zinc/97/67/27/360976727.db2.gz CWPRYWYNZQYFNX-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nncs1 ZINC000069966316 361238952 /nfs/dbraw/zinc/23/89/52/361238952.db2.gz KFVPSRSXYZJQPD-SSDOTTSWSA-N 1 2 209.278 1.235 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000640480838 361264534 /nfs/dbraw/zinc/26/45/34/361264534.db2.gz JKPFRWPYMJDDIA-CABZTGNLSA-N 1 2 220.272 1.119 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000640480838 361264536 /nfs/dbraw/zinc/26/45/36/361264536.db2.gz JKPFRWPYMJDDIA-CABZTGNLSA-N 1 2 220.272 1.119 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000640481325 361265646 /nfs/dbraw/zinc/26/56/46/361265646.db2.gz UHGHLZLYWCQPHG-RKDXNWHRSA-N 1 2 246.270 1.459 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000640481722 361267035 /nfs/dbraw/zinc/26/70/35/361267035.db2.gz YAZPFCXTISMBNB-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000579128489 366720365 /nfs/dbraw/zinc/72/03/65/366720365.db2.gz MBVGAIDPKQIBEM-MXWKQRLJSA-N 1 2 235.331 1.703 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000579128489 366720370 /nfs/dbraw/zinc/72/03/70/366720370.db2.gz MBVGAIDPKQIBEM-MXWKQRLJSA-N 1 2 235.331 1.703 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC[C@@H](F)C1 ZINC000579025216 366699516 /nfs/dbraw/zinc/69/95/16/366699516.db2.gz ZWSSBPNIVKULPZ-SFYZADRCSA-N 1 2 240.282 1.760 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC[C@@H](F)C1 ZINC000579025216 366699521 /nfs/dbraw/zinc/69/95/21/366699521.db2.gz ZWSSBPNIVKULPZ-SFYZADRCSA-N 1 2 240.282 1.760 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccn(C(F)F)n2)CC12CC2 ZINC000428379275 201010962 /nfs/dbraw/zinc/01/09/62/201010962.db2.gz VZOCBOVWUGABDQ-VIFPVBQESA-N 1 2 243.257 1.235 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CC12CC2 ZINC000428379275 201010963 /nfs/dbraw/zinc/01/09/63/201010963.db2.gz VZOCBOVWUGABDQ-VIFPVBQESA-N 1 2 243.257 1.235 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC000428351249 201011877 /nfs/dbraw/zinc/01/18/77/201011877.db2.gz NKEPDAQNHAXEJD-VIFPVBQESA-N 1 2 245.330 1.921 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ncn1 ZINC000428421908 201016280 /nfs/dbraw/zinc/01/62/80/201016280.db2.gz LBTFJOFBVORAEY-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)ncn1 ZINC000428421908 201016282 /nfs/dbraw/zinc/01/62/82/201016282.db2.gz LBTFJOFBVORAEY-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ncn1 ZINC000428490813 201023691 /nfs/dbraw/zinc/02/36/91/201023691.db2.gz PGFICZBZPCYEHV-SRVKXCTJSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ncn1 ZINC000428490813 201023693 /nfs/dbraw/zinc/02/36/93/201023693.db2.gz PGFICZBZPCYEHV-SRVKXCTJSA-N 1 2 235.331 1.783 20 0 BDADLO CCc1noc(C)c1C(=O)Nc1ccc(N)[nH+]c1 ZINC000428909147 201047674 /nfs/dbraw/zinc/04/76/74/201047674.db2.gz WPUITRRIHGALGI-UHFFFAOYSA-N 1 2 246.270 1.605 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285361101 370688689 /nfs/dbraw/zinc/68/86/89/370688689.db2.gz QFLCWGRHOLXSLC-NSHDSACASA-N 1 2 233.267 1.684 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC=C(c2ccco2)C1 ZINC000285361101 370688694 /nfs/dbraw/zinc/68/86/94/370688694.db2.gz QFLCWGRHOLXSLC-NSHDSACASA-N 1 2 233.267 1.684 20 0 BDADLO CC1(C)C[N@H+](CCCO)C[C@H](C(F)(F)F)O1 ZINC000428944408 201053553 /nfs/dbraw/zinc/05/35/53/201053553.db2.gz HJONZNJXSBASTM-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[N@@H+](CCCO)C[C@H](C(F)(F)F)O1 ZINC000428944408 201053557 /nfs/dbraw/zinc/05/35/57/201053557.db2.gz HJONZNJXSBASTM-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614243787 363759616 /nfs/dbraw/zinc/75/96/16/363759616.db2.gz FGZOPQPFGNEYLD-BBBLOLIVSA-N 1 2 233.315 1.524 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614243787 363759622 /nfs/dbraw/zinc/75/96/22/363759622.db2.gz FGZOPQPFGNEYLD-BBBLOLIVSA-N 1 2 233.315 1.524 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614245097 363759967 /nfs/dbraw/zinc/75/99/67/363759967.db2.gz OLVHXKQSDRWLSX-UKKRHICBSA-N 1 2 233.315 1.533 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C1(CO)CCC1 ZINC000429255829 201086675 /nfs/dbraw/zinc/08/66/75/201086675.db2.gz UOQBGUWMIYVCSX-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C1(CO)CCC1 ZINC000429255829 201086678 /nfs/dbraw/zinc/08/66/78/201086678.db2.gz UOQBGUWMIYVCSX-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ncccc1O ZINC000631124014 361380962 /nfs/dbraw/zinc/38/09/62/361380962.db2.gz DSASNGAAXNJKLR-UHFFFAOYSA-N 1 2 247.302 1.249 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nc(C2CCC2)no1 ZINC000579315654 366758615 /nfs/dbraw/zinc/75/86/15/366758615.db2.gz ZKEBGJVBOAKAQO-UHFFFAOYSA-N 1 2 233.275 1.697 20 0 BDADLO Cc1cccc(CCSCC(=O)N(C)C)[nH+]1 ZINC000579352676 366767535 /nfs/dbraw/zinc/76/75/35/366767535.db2.gz JEPVNIWPQRFBGM-UHFFFAOYSA-N 1 2 238.356 1.754 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CCC[C@H](C)O ZINC000429290835 201094909 /nfs/dbraw/zinc/09/49/09/201094909.db2.gz ZUXWVYWWYLYAFG-NSHDSACASA-N 1 2 240.351 1.452 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CCC[C@H](C)O ZINC000429290835 201094912 /nfs/dbraw/zinc/09/49/12/201094912.db2.gz ZUXWVYWWYLYAFG-NSHDSACASA-N 1 2 240.351 1.452 20 0 BDADLO Cc1ccc(C)c(C[N@H+](C)Cc2n[nH]c(=O)[nH]2)c1 ZINC000429314450 201099050 /nfs/dbraw/zinc/09/90/50/201099050.db2.gz WLMGSFVKCCXBQV-UHFFFAOYSA-N 1 2 246.314 1.759 20 0 BDADLO Cc1ccc(C)c(C[N@@H+](C)Cc2n[nH]c(=O)[nH]2)c1 ZINC000429314450 201099052 /nfs/dbraw/zinc/09/90/52/201099052.db2.gz WLMGSFVKCCXBQV-UHFFFAOYSA-N 1 2 246.314 1.759 20 0 BDADLO FC(F)(F)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000429314829 201099641 /nfs/dbraw/zinc/09/96/41/201099641.db2.gz WSKLNQNDYIRACV-UHFFFAOYSA-N 1 2 220.198 1.115 20 0 BDADLO FC(F)(F)CC[N@H+]1CCc2n[nH]nc2C1 ZINC000429314829 201099643 /nfs/dbraw/zinc/09/96/43/201099643.db2.gz WSKLNQNDYIRACV-UHFFFAOYSA-N 1 2 220.198 1.115 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1cccc(C)c1 ZINC000353594180 366792128 /nfs/dbraw/zinc/79/21/28/366792128.db2.gz MHHAHWCCFJJCKC-GFCCVEGCSA-N 1 2 245.330 1.759 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC([C@@H](C)O)CC2)no1 ZINC000429681126 201125181 /nfs/dbraw/zinc/12/51/81/201125181.db2.gz KBDLDDIBYDWOIB-RKDXNWHRSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC([C@@H](C)O)CC2)no1 ZINC000429681123 201127242 /nfs/dbraw/zinc/12/72/42/201127242.db2.gz KBDLDDIBYDWOIB-DTWKUNHWSA-N 1 2 239.319 1.532 20 0 BDADLO CC[N@H+](CC(C)(C)O)[C@@H](C)c1noc(C)n1 ZINC000429689219 201127774 /nfs/dbraw/zinc/12/77/74/201127774.db2.gz FCPCFVZIOVECJP-QMMMGPOBSA-N 1 2 227.308 1.532 20 0 BDADLO CC[N@@H+](CC(C)(C)O)[C@@H](C)c1noc(C)n1 ZINC000429689219 201127777 /nfs/dbraw/zinc/12/77/77/201127777.db2.gz FCPCFVZIOVECJP-QMMMGPOBSA-N 1 2 227.308 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](CO)C2)no1 ZINC000429722435 201129583 /nfs/dbraw/zinc/12/95/83/201129583.db2.gz IKTGLYFEHCRAHP-WCBMZHEXSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](CO)C2)no1 ZINC000429722435 201129586 /nfs/dbraw/zinc/12/95/86/201129586.db2.gz IKTGLYFEHCRAHP-WCBMZHEXSA-N 1 2 225.292 1.143 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000151915613 201188287 /nfs/dbraw/zinc/18/82/87/201188287.db2.gz RTEWFOZACAWZCH-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000151915613 201188291 /nfs/dbraw/zinc/18/82/91/201188291.db2.gz RTEWFOZACAWZCH-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000070267012 361499070 /nfs/dbraw/zinc/49/90/70/361499070.db2.gz PVUNMIPMAUNXPW-SFYZADRCSA-N 1 2 236.237 1.292 20 0 BDADLO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000070267012 361499073 /nfs/dbraw/zinc/49/90/73/361499073.db2.gz PVUNMIPMAUNXPW-SFYZADRCSA-N 1 2 236.237 1.292 20 0 BDADLO NC(=O)C1([NH2+]Cc2cccc(F)c2F)CC1 ZINC000152400581 201198187 /nfs/dbraw/zinc/19/81/87/201198187.db2.gz SVCQJKUGWQULPF-UHFFFAOYSA-N 1 2 226.226 1.072 20 0 BDADLO COC[C@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433765007 201191941 /nfs/dbraw/zinc/19/19/41/201191941.db2.gz GACCQGVXYLHGDN-MRVPVSSYSA-N 1 2 234.303 1.383 20 0 BDADLO COc1cccc([C@@H]([NH3+])c2nc(C)no2)c1 ZINC000629676116 361598297 /nfs/dbraw/zinc/59/82/97/361598297.db2.gz CIZVTZXNDOGOQK-SNVBAGLBSA-N 1 2 219.244 1.435 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000434393039 201217657 /nfs/dbraw/zinc/21/76/57/201217657.db2.gz CXGAAJSSSHKCLN-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CCC1(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000434393039 201217661 /nfs/dbraw/zinc/21/76/61/201217661.db2.gz CXGAAJSSSHKCLN-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000161893911 201226429 /nfs/dbraw/zinc/22/64/29/201226429.db2.gz YBRQLKNQCRZQIS-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000161893911 201226431 /nfs/dbraw/zinc/22/64/31/201226431.db2.gz YBRQLKNQCRZQIS-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C1CCC1 ZINC000434544987 201225318 /nfs/dbraw/zinc/22/53/18/201225318.db2.gz QPUVMXSTYQTWOB-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C1CCC1 ZINC000434544987 201225322 /nfs/dbraw/zinc/22/53/22/201225322.db2.gz QPUVMXSTYQTWOB-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccoc1 ZINC000434815896 201242839 /nfs/dbraw/zinc/24/28/39/201242839.db2.gz PJSLJMRFFLEQAU-VIFPVBQESA-N 1 2 210.277 1.188 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccoc1 ZINC000434815896 201242843 /nfs/dbraw/zinc/24/28/43/201242843.db2.gz PJSLJMRFFLEQAU-VIFPVBQESA-N 1 2 210.277 1.188 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(-c2nccs2)n1 ZINC000434736237 201236857 /nfs/dbraw/zinc/23/68/57/201236857.db2.gz GAFVAEDCGNCMNL-UHFFFAOYSA-N 1 2 245.311 1.788 20 0 BDADLO CC(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000435589216 201276340 /nfs/dbraw/zinc/27/63/40/201276340.db2.gz OZRPDYWPJMAEEO-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CC(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000435589216 201276343 /nfs/dbraw/zinc/27/63/43/201276343.db2.gz OZRPDYWPJMAEEO-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CCc1ccnc(CNc2cc(C)[nH+]cn2)c1 ZINC000435605623 201280193 /nfs/dbraw/zinc/28/01/93/201280193.db2.gz SVZWKWKUPGEZBU-UHFFFAOYSA-N 1 2 228.299 1.776 20 0 BDADLO COc1ccc(CO)c(-c2c[nH]c(C)[nH+]2)c1 ZINC000629744361 361679877 /nfs/dbraw/zinc/67/98/77/361679877.db2.gz XAOAACKDOYPZPK-UHFFFAOYSA-N 1 2 218.256 1.886 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cccnn2)[nH+]1 ZINC000436428765 201326261 /nfs/dbraw/zinc/32/62/61/201326261.db2.gz BUXQOEFGXISDDP-UHFFFAOYSA-N 1 2 240.270 1.090 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000613234885 361700967 /nfs/dbraw/zinc/70/09/67/361700967.db2.gz ZVHDLOSEKIKEQO-UHFFFAOYSA-N 1 2 248.326 1.775 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000613234885 361700974 /nfs/dbraw/zinc/70/09/74/361700974.db2.gz ZVHDLOSEKIKEQO-UHFFFAOYSA-N 1 2 248.326 1.775 20 0 BDADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCF)c1 ZINC000437688731 201366894 /nfs/dbraw/zinc/36/68/94/201366894.db2.gz VGRCZWMMHPFWNG-UHFFFAOYSA-N 1 2 247.273 1.880 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCOC ZINC000622082854 370698076 /nfs/dbraw/zinc/69/80/76/370698076.db2.gz SUDNKVFSTAYJTJ-VIFPVBQESA-N 1 2 225.292 1.117 20 0 BDADLO COc1cc(NCc2[nH]cc(C)[nH+]2)[nH]n1 ZINC000623628236 363854676 /nfs/dbraw/zinc/85/46/76/363854676.db2.gz CUHDTNGRMXFIFN-UHFFFAOYSA-N 1 2 207.237 1.062 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614799729 363977412 /nfs/dbraw/zinc/97/74/12/363977412.db2.gz VBPVRKVAFVEYAH-BBBLOLIVSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614799729 363977417 /nfs/dbraw/zinc/97/74/17/363977417.db2.gz VBPVRKVAFVEYAH-BBBLOLIVSA-N 1 2 233.315 1.429 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cocn1 ZINC000622082227 370698434 /nfs/dbraw/zinc/69/84/34/370698434.db2.gz JJNUCYVYEWLCNH-MRVPVSSYSA-N 1 2 234.259 1.382 20 0 BDADLO c1cn2c([nH+]1)[C@H](Nc1cnn3c1CCCC3)CC2 ZINC000631711893 364039925 /nfs/dbraw/zinc/03/99/25/364039925.db2.gz RVBYMIDYVMFMTF-SNVBAGLBSA-N 1 2 243.314 1.973 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000630409503 364142594 /nfs/dbraw/zinc/14/25/94/364142594.db2.gz UTOAZGMUFAVJNZ-QMMMGPOBSA-N 1 2 222.292 1.350 20 0 BDADLO CSc1cc(C(=O)N2CC[NH+](C)CC2)co1 ZINC000630389149 364106161 /nfs/dbraw/zinc/10/61/61/364106161.db2.gz RIUSOJFVXLFRHK-UHFFFAOYSA-N 1 2 240.328 1.389 20 0 BDADLO Cc1nc(C[NH+]2CCc3ccccc3CC2)no1 ZINC000116300065 370752263 /nfs/dbraw/zinc/75/22/63/370752263.db2.gz BTLZOFIZLHAXQY-UHFFFAOYSA-N 1 2 243.310 1.979 20 0 BDADLO O=S1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000614962856 364235776 /nfs/dbraw/zinc/23/57/76/364235776.db2.gz JXFYWLGDLBYVTO-ZDUSSCGKSA-N 1 2 235.352 1.738 20 0 BDADLO CCOC(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000630549123 364242305 /nfs/dbraw/zinc/24/23/05/364242305.db2.gz BCYYJJOTBWHQJM-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000615039102 364405884 /nfs/dbraw/zinc/40/58/84/364405884.db2.gz DNYIEAKCTXPQDL-JQWIXIFHSA-N 1 2 249.314 1.040 20 0 BDADLO CC1(C)C[N@H+](CC(=O)N2CCCCC2)CCO1 ZINC000075700926 364360779 /nfs/dbraw/zinc/36/07/79/364360779.db2.gz HWBJHZVCQKDLSA-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)N2CCCCC2)CCO1 ZINC000075700926 364360787 /nfs/dbraw/zinc/36/07/87/364360787.db2.gz HWBJHZVCQKDLSA-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2CCO)[nH]1 ZINC000181683325 366838151 /nfs/dbraw/zinc/83/81/51/366838151.db2.gz PEDTWRBOJWQQCD-JTQLQIEISA-N 1 2 238.335 1.104 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@H]2CCO)[nH]1 ZINC000181683325 366838156 /nfs/dbraw/zinc/83/81/56/366838156.db2.gz PEDTWRBOJWQQCD-JTQLQIEISA-N 1 2 238.335 1.104 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)Nc1ccccc1 ZINC000084081866 541358624 /nfs/dbraw/zinc/35/86/24/541358624.db2.gz ZRGSCDDQNLXXOG-UHFFFAOYSA-N 1 2 216.244 1.731 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)Nc1ccccc1 ZINC000084081866 541358629 /nfs/dbraw/zinc/35/86/29/541358629.db2.gz ZRGSCDDQNLXXOG-UHFFFAOYSA-N 1 2 216.244 1.731 20 0 BDADLO CC[C@H](CSC)N(C)C(=O)Cn1cc[nH+]c1 ZINC000552695112 325663413 /nfs/dbraw/zinc/66/34/13/325663413.db2.gz VPYDCJLBOKNNKK-SNVBAGLBSA-N 1 2 241.360 1.483 20 0 BDADLO CC[C@](C)(NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000618962553 364422110 /nfs/dbraw/zinc/42/21/10/364422110.db2.gz WSUSONYTQAOEKR-ZDUSSCGKSA-N 1 2 235.331 1.658 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(Cl)o1 ZINC000080531233 364506210 /nfs/dbraw/zinc/50/62/10/364506210.db2.gz URJQYDSACBLHOX-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO Cc1c(NCc2c[nH+]cn2C)cnn1C ZINC000181966467 366857736 /nfs/dbraw/zinc/85/77/36/366857736.db2.gz DLHNUFCOPHTDIC-UHFFFAOYSA-N 1 2 205.265 1.074 20 0 BDADLO C[C@@H](NC(=O)C1=CCCC1)c1[nH]cc[nH+]1 ZINC000615160750 364554310 /nfs/dbraw/zinc/55/43/10/364554310.db2.gz JFRCGHMHCQNQBX-MRVPVSSYSA-N 1 2 205.261 1.697 20 0 BDADLO CCCCn1nnnc1COc1cc[nH+]cc1 ZINC000555720107 364695644 /nfs/dbraw/zinc/69/56/44/364695644.db2.gz QMNPWUILCLDLQS-UHFFFAOYSA-N 1 2 233.275 1.447 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000573555555 364859491 /nfs/dbraw/zinc/85/94/91/364859491.db2.gz WIINBYYELRYBDQ-MXWKQRLJSA-N 1 2 248.330 1.940 20 0 BDADLO c1cn(CCCNc2nc3ccccn3n2)c[nH+]1 ZINC000094601582 541383685 /nfs/dbraw/zinc/38/36/85/541383685.db2.gz LUAWNYKJQKVNMH-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336596285 541428337 /nfs/dbraw/zinc/42/83/37/541428337.db2.gz HEZVWALWXXWLHI-VIFPVBQESA-N 1 2 244.298 1.334 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336596285 541428343 /nfs/dbraw/zinc/42/83/43/541428343.db2.gz HEZVWALWXXWLHI-VIFPVBQESA-N 1 2 244.298 1.334 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccnnc1 ZINC000151370389 541442069 /nfs/dbraw/zinc/44/20/69/541442069.db2.gz ORRFVDJYUNUHNL-UHFFFAOYSA-N 1 2 230.227 1.133 20 0 BDADLO c1[nH]cc(NCc2cccc3c2OCCO3)[nH+]1 ZINC000574208871 365010273 /nfs/dbraw/zinc/01/02/73/365010273.db2.gz KJNFQCOYLDZNAN-UHFFFAOYSA-N 1 2 231.255 1.793 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000574283687 365028974 /nfs/dbraw/zinc/02/89/74/365028974.db2.gz HFMBJCKTGRUFIF-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000574283687 365028981 /nfs/dbraw/zinc/02/89/81/365028981.db2.gz HFMBJCKTGRUFIF-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO Nc1nc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]c2ccccc12 ZINC000574314494 365035084 /nfs/dbraw/zinc/03/50/84/365035084.db2.gz ZBHXRDZRSQTYDJ-ILWJIGKKSA-N 1 2 240.310 1.675 20 0 BDADLO CC[C@H](NC(=O)c1cnc[nH]1)c1[nH]cc[nH+]1 ZINC000442804445 192993312 /nfs/dbraw/zinc/99/33/12/192993312.db2.gz WOCYNEUSTPXUST-ZETCQYMHSA-N 1 2 219.248 1.014 20 0 BDADLO CC[C@@H](F)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000443062322 193013034 /nfs/dbraw/zinc/01/30/34/193013034.db2.gz WSLVMDPSYZVFSN-MRVPVSSYSA-N 1 2 234.296 1.083 20 0 BDADLO Cc1nc(N2CC(OCC(F)F)C2)cc[nH+]1 ZINC000444074045 193034137 /nfs/dbraw/zinc/03/41/37/193034137.db2.gz LIBLZERSYANSNG-UHFFFAOYSA-N 1 2 229.230 1.255 20 0 BDADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)C1CCCC1 ZINC000575173622 365227521 /nfs/dbraw/zinc/22/75/21/365227521.db2.gz JYPZVQBTLBIWCE-JTQLQIEISA-N 1 2 239.344 1.544 20 0 BDADLO CCC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC000575215728 365249370 /nfs/dbraw/zinc/24/93/70/365249370.db2.gz IGMDADPTOXWRAR-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO O=S1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172289754 365305233 /nfs/dbraw/zinc/30/52/33/365305233.db2.gz JUXUWDKPUBWFCW-UHFFFAOYSA-N 1 2 249.379 1.740 20 0 BDADLO Cc1cc(NC(=O)Nc2cc[nH]n2)cc[nH+]1 ZINC000192288445 365316038 /nfs/dbraw/zinc/31/60/38/365316038.db2.gz CMFFBNVTUDHIKA-UHFFFAOYSA-N 1 2 217.232 1.757 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000182228026 366876242 /nfs/dbraw/zinc/87/62/42/366876242.db2.gz IVNJOMSTVYYEBH-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(O)cc1F ZINC000379883202 365336098 /nfs/dbraw/zinc/33/60/98/365336098.db2.gz CAVCQNDPCKSEQS-UHFFFAOYSA-N 1 2 235.218 1.367 20 0 BDADLO CCN(CC)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000579581698 366888272 /nfs/dbraw/zinc/88/82/72/366888272.db2.gz YSNYUTHVTZVILE-QMMMGPOBSA-N 1 2 213.306 1.011 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCCOC1 ZINC000575816956 365373683 /nfs/dbraw/zinc/37/36/83/365373683.db2.gz ZUYUURJVMPKZRA-LLVKDONJSA-N 1 2 221.304 1.354 20 0 BDADLO CSCCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000439462978 201449047 /nfs/dbraw/zinc/44/90/47/201449047.db2.gz ALUZETKYXDPPRZ-UHFFFAOYSA-N 1 2 244.364 1.321 20 0 BDADLO CSCCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000439462978 201449051 /nfs/dbraw/zinc/44/90/51/201449051.db2.gz ALUZETKYXDPPRZ-UHFFFAOYSA-N 1 2 244.364 1.321 20 0 BDADLO COc1cc(C[NH2+]Cc2cc[nH]n2)sn1 ZINC000399087933 365438466 /nfs/dbraw/zinc/43/84/66/365438466.db2.gz ALKJYYDVKJEIBY-UHFFFAOYSA-N 1 2 224.289 1.165 20 0 BDADLO CC(C)(NC(=O)[C@H]1CC1(C)C)c1[nH]cc[nH+]1 ZINC000575995639 365440171 /nfs/dbraw/zinc/44/01/71/365440171.db2.gz SHARJWVSZPRDSP-MRVPVSSYSA-N 1 2 221.304 1.807 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(CF)CCC1 ZINC000576162926 365505631 /nfs/dbraw/zinc/50/56/31/365505631.db2.gz WYVQVYIWSZHVFO-UHFFFAOYSA-N 1 2 239.294 1.361 20 0 BDADLO Cc1cc(NCc2cnc(C3CC3)o2)nc[nH+]1 ZINC000579674624 366960665 /nfs/dbraw/zinc/96/06/65/366960665.db2.gz MPGTVGARRAVDIO-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CC[C@]1(Nc2[nH+]cnc3c2cnn3C)CCOC1 ZINC000386224398 541516463 /nfs/dbraw/zinc/51/64/63/541516463.db2.gz OWAKELBYKIAEIF-LBPRGKRZSA-N 1 2 247.302 1.344 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccon1 ZINC000579855973 367054081 /nfs/dbraw/zinc/05/40/81/367054081.db2.gz IWBBWYXVYHBGOB-IUCAKERBSA-N 1 2 248.286 1.454 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccon1 ZINC000579855973 367054090 /nfs/dbraw/zinc/05/40/90/367054090.db2.gz IWBBWYXVYHBGOB-IUCAKERBSA-N 1 2 248.286 1.454 20 0 BDADLO Cc1ccc(CN2C(=O)NC(C)(C)C2=O)c(C)[nH+]1 ZINC000185251026 367126515 /nfs/dbraw/zinc/12/65/15/367126515.db2.gz YUBHDEOQSPFSGA-UHFFFAOYSA-N 1 2 247.298 1.529 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000193060320 367146220 /nfs/dbraw/zinc/14/62/20/367146220.db2.gz NDPBWWNTLUVSFV-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000193060320 367146225 /nfs/dbraw/zinc/14/62/25/367146225.db2.gz NDPBWWNTLUVSFV-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@]12C[C@@H]1CCC2 ZINC000579941106 367092387 /nfs/dbraw/zinc/09/23/87/367092387.db2.gz LSRYQEFRJLBMKE-JSGCOSHPSA-N 1 2 247.342 1.970 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000580807771 367171072 /nfs/dbraw/zinc/17/10/72/367171072.db2.gz REVNKOJVIIOINV-GHMZBOCLSA-N 1 2 219.288 1.142 20 0 BDADLO Cc1cncc(CNc2nc(C)[nH+]cc2C)c1 ZINC000580785169 367166780 /nfs/dbraw/zinc/16/67/80/367166780.db2.gz QSAUMPPTPAGVEJ-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCO1 ZINC000580875093 367193536 /nfs/dbraw/zinc/19/35/36/367193536.db2.gz ZZNAGQYROSBHBR-VIFPVBQESA-N 1 2 235.287 1.337 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000580896887 367201795 /nfs/dbraw/zinc/20/17/95/367201795.db2.gz TURCXPIWHCVLBT-OUAUKWLOSA-N 1 2 221.304 1.606 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000194185185 367263143 /nfs/dbraw/zinc/26/31/43/367263143.db2.gz BQXWWKVLNLBLEN-VIFPVBQESA-N 1 2 225.263 1.992 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000194185185 367263147 /nfs/dbraw/zinc/26/31/47/367263147.db2.gz BQXWWKVLNLBLEN-VIFPVBQESA-N 1 2 225.263 1.992 20 0 BDADLO C[C@@H](NC(=O)CC1CCOCC1)c1[nH]cc[nH+]1 ZINC000581147480 367277037 /nfs/dbraw/zinc/27/70/37/367277037.db2.gz CRBXRCHZNYLOFH-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO CCOc1nccnc1N1CCn2c[nH+]cc2C1 ZINC000581064683 367249446 /nfs/dbraw/zinc/24/94/46/367249446.db2.gz WRGANFFLTHWRNP-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO Cc1nnc(Cn2cc[nH+]c2)n1C1CC1 ZINC000195045632 367333408 /nfs/dbraw/zinc/33/34/08/367333408.db2.gz KOQVRGALLDDWHE-UHFFFAOYSA-N 1 2 203.249 1.166 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000195061943 367334032 /nfs/dbraw/zinc/33/40/32/367334032.db2.gz IZUVHGSRGNTJSX-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000195061943 367334033 /nfs/dbraw/zinc/33/40/33/367334033.db2.gz IZUVHGSRGNTJSX-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC000581488979 367518658 /nfs/dbraw/zinc/51/86/58/367518658.db2.gz INBMZUMKRAVDCG-SECBINFHSA-N 1 2 225.279 1.001 20 0 BDADLO Cc1n[nH]c(=NC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000581657805 367658897 /nfs/dbraw/zinc/65/88/97/367658897.db2.gz PGAIPPBGGKOLTG-MGCOHNPYSA-N 1 2 240.376 1.445 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC12CC2 ZINC000622361898 370868357 /nfs/dbraw/zinc/86/83/57/370868357.db2.gz ZXWSNBSMEPIVCW-QMMMGPOBSA-N 1 2 205.261 1.168 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cncnc1C1CC1 ZINC000622384677 370881861 /nfs/dbraw/zinc/88/18/61/370881861.db2.gz OLNPTHXOEZTPFH-UHFFFAOYSA-N 1 2 243.270 1.007 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cncnc1C1CC1 ZINC000622384677 370881866 /nfs/dbraw/zinc/88/18/66/370881866.db2.gz OLNPTHXOEZTPFH-UHFFFAOYSA-N 1 2 243.270 1.007 20 0 BDADLO Cc1cnc(CC(=O)NCc2c[nH+]c[nH]2)s1 ZINC000622384580 370882336 /nfs/dbraw/zinc/88/23/36/370882336.db2.gz KZSBSPGTBZSAOV-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1cnc(CC(=O)NCc2c[nH]c[nH+]2)s1 ZINC000622384580 370882340 /nfs/dbraw/zinc/88/23/40/370882340.db2.gz KZSBSPGTBZSAOV-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO CC[C@@H]1[C@@H](CO)CCN1c1cc[nH+]c(C)n1 ZINC000385866305 367871298 /nfs/dbraw/zinc/87/12/98/367871298.db2.gz IKEFHYDGDPTYNT-GHMZBOCLSA-N 1 2 221.304 1.382 20 0 BDADLO NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000015522262 367943138 /nfs/dbraw/zinc/94/31/38/367943138.db2.gz IHRFQGYUSWAPAO-UHFFFAOYSA-N 1 2 222.263 1.275 20 0 BDADLO NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000015522262 367943144 /nfs/dbraw/zinc/94/31/44/367943144.db2.gz IHRFQGYUSWAPAO-UHFFFAOYSA-N 1 2 222.263 1.275 20 0 BDADLO CSc1ccnc(NCc2[nH+]ccn2C)n1 ZINC000386504552 367982116 /nfs/dbraw/zinc/98/21/16/367982116.db2.gz AXJZCJUEICSGRC-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO CC[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@@H](C)O ZINC000386721635 368013481 /nfs/dbraw/zinc/01/34/81/368013481.db2.gz SEBLTJHAIYIIAI-PHDIDXHHSA-N 1 2 230.699 1.284 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc(N)c1Cl)[C@@H](C)O ZINC000386721635 368013486 /nfs/dbraw/zinc/01/34/86/368013486.db2.gz SEBLTJHAIYIIAI-PHDIDXHHSA-N 1 2 230.699 1.284 20 0 BDADLO NC(=O)c1ccc(CNc2cccc[nH+]2)cn1 ZINC000441796380 201561537 /nfs/dbraw/zinc/56/15/37/201561537.db2.gz CVJXOPXXVRRTQR-UHFFFAOYSA-N 1 2 228.255 1.188 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccco1 ZINC000642516393 368166711 /nfs/dbraw/zinc/16/67/11/368166711.db2.gz REZXDAYGTKZOKR-QMMMGPOBSA-N 1 2 233.275 1.452 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2cnn(C)c2)c1 ZINC000630956986 368153668 /nfs/dbraw/zinc/15/36/68/368153668.db2.gz KFYXZAAFQFXAAX-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)CC(=O)NC(C)C ZINC000028728159 368241518 /nfs/dbraw/zinc/24/15/18/368241518.db2.gz SRVMRQIMKIZVNS-UHFFFAOYSA-N 1 2 239.319 1.248 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)CC(=O)NC(C)C ZINC000028728159 368241525 /nfs/dbraw/zinc/24/15/25/368241525.db2.gz SRVMRQIMKIZVNS-UHFFFAOYSA-N 1 2 239.319 1.248 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042512082 368310568 /nfs/dbraw/zinc/31/05/68/368310568.db2.gz KJQRUHKMBVRFOZ-GHMZBOCLSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000042978403 368388526 /nfs/dbraw/zinc/38/85/26/368388526.db2.gz QPSMOYLRASKAEG-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000042978403 368388528 /nfs/dbraw/zinc/38/85/28/368388528.db2.gz QPSMOYLRASKAEG-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000045838986 368432206 /nfs/dbraw/zinc/43/22/06/368432206.db2.gz VKIGYCUYZGQVLF-UTUOFQBUSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000045838986 368432210 /nfs/dbraw/zinc/43/22/10/368432210.db2.gz VKIGYCUYZGQVLF-UTUOFQBUSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000061512987 368564702 /nfs/dbraw/zinc/56/47/02/368564702.db2.gz YDALJIJQSYNZLN-UHFFFAOYSA-N 1 2 223.320 1.815 20 0 BDADLO CC(C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000061512800 368564916 /nfs/dbraw/zinc/56/49/16/368564916.db2.gz NFSHDSBYVZZDTA-UHFFFAOYSA-N 1 2 209.293 1.425 20 0 BDADLO CCOc1nnc(C[NH+]2CCCC2)s1 ZINC000063481815 368585561 /nfs/dbraw/zinc/58/55/61/368585561.db2.gz YSCVIVGLCQRQAY-UHFFFAOYSA-N 1 2 213.306 1.533 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000064635349 368610046 /nfs/dbraw/zinc/61/00/46/368610046.db2.gz JYOPJLSXLPCZTA-MRVPVSSYSA-N 1 2 240.269 1.785 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000064635349 368610052 /nfs/dbraw/zinc/61/00/52/368610052.db2.gz JYOPJLSXLPCZTA-MRVPVSSYSA-N 1 2 240.269 1.785 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448730 368621783 /nfs/dbraw/zinc/62/17/83/368621783.db2.gz QSHQNLZOTNCGFZ-LLVKDONJSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448730 368621784 /nfs/dbraw/zinc/62/17/84/368621784.db2.gz QSHQNLZOTNCGFZ-LLVKDONJSA-N 1 2 242.363 1.353 20 0 BDADLO CCCc1noc(C[N@H+](C)CCCOC)n1 ZINC000066378704 368645883 /nfs/dbraw/zinc/64/58/83/368645883.db2.gz NPUSNPNMJZJACE-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCCc1noc(C[N@@H+](C)CCCOC)n1 ZINC000066378704 368645884 /nfs/dbraw/zinc/64/58/84/368645884.db2.gz NPUSNPNMJZJACE-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CSC[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000066822984 368662830 /nfs/dbraw/zinc/66/28/30/368662830.db2.gz ZSMZMTKLNCCBFA-ZJUUUORDSA-N 1 2 241.360 1.387 20 0 BDADLO OCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848425 368662979 /nfs/dbraw/zinc/66/29/79/368662979.db2.gz CSIOMUVBSABYEP-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848425 368662983 /nfs/dbraw/zinc/66/29/83/368662983.db2.gz CSIOMUVBSABYEP-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO CN(C)c1ccc(CNC(=O)c2cc[nH]c2)c[nH+]1 ZINC000068265229 368720701 /nfs/dbraw/zinc/72/07/01/368720701.db2.gz XLUWANCUBSKJMU-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)CC2CC2)n1 ZINC000457286372 203032897 /nfs/dbraw/zinc/03/28/97/203032897.db2.gz HHILZLBHFWVGGQ-UHFFFAOYSA-N 1 2 239.344 1.943 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CCOC2)s1 ZINC000680052023 487528028 /nfs/dbraw/zinc/52/80/28/487528028.db2.gz IGFUNFURCLHRKV-QMMMGPOBSA-N 1 2 227.333 1.321 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CCOC2)s1 ZINC000680052023 487528031 /nfs/dbraw/zinc/52/80/31/487528031.db2.gz IGFUNFURCLHRKV-QMMMGPOBSA-N 1 2 227.333 1.321 20 0 BDADLO COCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000457397745 203054981 /nfs/dbraw/zinc/05/49/81/203054981.db2.gz WJHVWPXDXXOVMR-UHFFFAOYSA-N 1 2 237.303 1.144 20 0 BDADLO C[C@@H](F)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000457377936 203049912 /nfs/dbraw/zinc/04/99/12/203049912.db2.gz CTPUFXXWHXCRCK-SNVBAGLBSA-N 1 2 242.298 1.321 20 0 BDADLO CC[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000073922413 368821636 /nfs/dbraw/zinc/82/16/36/368821636.db2.gz DDKYGSTXEGLSDG-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000073993350 368824781 /nfs/dbraw/zinc/82/47/81/368824781.db2.gz PMXDROVMFFGNIT-QWHCGFSZSA-N 1 2 247.342 1.968 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000073993353 368825368 /nfs/dbraw/zinc/82/53/68/368825368.db2.gz PMXDROVMFFGNIT-STQMWFEESA-N 1 2 247.342 1.968 20 0 BDADLO CC[N@H+](CC(=O)NC(C)C)Cc1ccncc1 ZINC000072939045 368787353 /nfs/dbraw/zinc/78/73/53/368787353.db2.gz RZNCDTCMRWTTKO-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO CC[N@@H+](CC(=O)NC(C)C)Cc1ccncc1 ZINC000072939045 368787356 /nfs/dbraw/zinc/78/73/56/368787356.db2.gz RZNCDTCMRWTTKO-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CCC(C)C ZINC000623646363 368969036 /nfs/dbraw/zinc/96/90/36/368969036.db2.gz DHJRMUHWSXDLMM-LBPRGKRZSA-N 1 2 225.336 1.605 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(C)(C)C ZINC000616111052 368958147 /nfs/dbraw/zinc/95/81/47/368958147.db2.gz AILJKOOZUOTNBE-VWYCJHECSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)Cn1cc[nH+]c1 ZINC000616164943 368999808 /nfs/dbraw/zinc/99/98/08/368999808.db2.gz ACJPWXFBMSXRLZ-JTQLQIEISA-N 1 2 221.304 1.673 20 0 BDADLO CCC1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616194123 369024092 /nfs/dbraw/zinc/02/40/92/369024092.db2.gz ZLIIIYOSLNPPSP-JTQLQIEISA-N 1 2 233.315 1.383 20 0 BDADLO CCC1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616194123 369024098 /nfs/dbraw/zinc/02/40/98/369024098.db2.gz ZLIIIYOSLNPPSP-JTQLQIEISA-N 1 2 233.315 1.383 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H](C)C1=O ZINC000618097997 369064688 /nfs/dbraw/zinc/06/46/88/369064688.db2.gz RDWYLTWJLMWDCN-NXEZZACHSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H](C)C1=O ZINC000618097997 369064691 /nfs/dbraw/zinc/06/46/91/369064691.db2.gz RDWYLTWJLMWDCN-NXEZZACHSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1c[nH]c(CNc2cnn(CCF)c2)[nH+]1 ZINC000623660554 369065901 /nfs/dbraw/zinc/06/59/01/369065901.db2.gz RAVZCSKFZAYJGI-UHFFFAOYSA-N 1 2 223.255 1.496 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000457585396 203076732 /nfs/dbraw/zinc/07/67/32/203076732.db2.gz URRMIQSZHRKRRR-MRVPVSSYSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000457585396 203076735 /nfs/dbraw/zinc/07/67/35/203076735.db2.gz URRMIQSZHRKRRR-MRVPVSSYSA-N 1 2 207.277 1.462 20 0 BDADLO CCc1cc(NCCSCCCO)nc[nH+]1 ZINC000226530401 369121378 /nfs/dbraw/zinc/12/13/78/369121378.db2.gz KAEMVPSETTWRHP-UHFFFAOYSA-N 1 2 241.360 1.567 20 0 BDADLO CSC1(C(=O)NC2C[NH+](C(C)C)C2)CCC1 ZINC000457717873 203093019 /nfs/dbraw/zinc/09/30/19/203093019.db2.gz JLMZDGBEMRJULI-UHFFFAOYSA-N 1 2 242.388 1.481 20 0 BDADLO C[C@]1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1(F)F ZINC000618595562 369180468 /nfs/dbraw/zinc/18/04/68/369180468.db2.gz BWHHZQSJHQBPEA-LLVKDONJSA-N 1 2 246.301 1.490 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCn1cc(Cl)cn1 ZINC000459335121 203262681 /nfs/dbraw/zinc/26/26/81/203262681.db2.gz HCPLHWNTZFGEHI-UHFFFAOYSA-N 1 2 245.710 1.078 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)Nc2cc[nH+]cc2C)C1 ZINC000459477317 203288403 /nfs/dbraw/zinc/28/84/03/203288403.db2.gz HBPOLQVTOQOJEL-PHIMTYICSA-N 1 2 249.314 1.501 20 0 BDADLO COCCOC1C[NH+](Cc2ccco2)C1 ZINC000459473622 203288453 /nfs/dbraw/zinc/28/84/53/203288453.db2.gz XAAGFCDYSBVYBZ-UHFFFAOYSA-N 1 2 211.261 1.127 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000459582963 203307833 /nfs/dbraw/zinc/30/78/33/203307833.db2.gz MSQHGGIHJZZSAH-UHFFFAOYSA-N 1 2 246.314 1.189 20 0 BDADLO COc1nccc(C[NH+]2CC3(C2)CCCOC3)n1 ZINC000459602229 203314981 /nfs/dbraw/zinc/31/49/81/203314981.db2.gz DVFVUQUGEFPBEG-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO CCC1C[NH+](Cc2cc(COC)on2)C1 ZINC000459601115 203311305 /nfs/dbraw/zinc/31/13/05/203311305.db2.gz WBHIEGWLDHDQKJ-UHFFFAOYSA-N 1 2 210.277 1.663 20 0 BDADLO CCOC1CN(Cc2c[nH+]c3ccc(C)cn23)C1 ZINC000459608520 203313958 /nfs/dbraw/zinc/31/39/58/203313958.db2.gz PJTFHFSTYFQBOT-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CCn1nnc(C)c1C[NH2+]CC(F)(F)CC ZINC000623679257 369378802 /nfs/dbraw/zinc/37/88/02/369378802.db2.gz OUASKRLTDSTMHP-UHFFFAOYSA-N 1 2 232.278 1.741 20 0 BDADLO COC1C[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000459574161 203305199 /nfs/dbraw/zinc/30/51/99/203305199.db2.gz CTNSMEQKDKHEAE-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(OC)C2)c1C ZINC000459573834 203305355 /nfs/dbraw/zinc/30/53/55/203305355.db2.gz CLRCPYWXPURFJY-UHFFFAOYSA-N 1 2 223.320 1.350 20 0 BDADLO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000459611534 203317411 /nfs/dbraw/zinc/31/74/11/203317411.db2.gz LMVZDGOSHIPTHU-KCJUWKMLSA-N 1 2 224.308 1.569 20 0 BDADLO CCOC1(C)C[NH+](Cc2cn(C)nc2C)C1 ZINC000459627918 203321964 /nfs/dbraw/zinc/32/19/64/203321964.db2.gz XAQWRXQBNVOFTA-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO c1cc(C[NH+]2CC(COc3ccccc3)C2)n[nH]1 ZINC000459628781 203324951 /nfs/dbraw/zinc/32/49/51/203324951.db2.gz DVDUQRRJTYKIFR-UHFFFAOYSA-N 1 2 243.310 1.921 20 0 BDADLO COc1ccc[nH+]c1NC[C@@](C)(O)CSC ZINC000230150229 369430475 /nfs/dbraw/zinc/43/04/75/369430475.db2.gz PIYZFIOUUWLKEC-LLVKDONJSA-N 1 2 242.344 1.616 20 0 BDADLO COC(=O)c1ccc(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000619510810 369452454 /nfs/dbraw/zinc/45/24/54/369452454.db2.gz CYPPUAZRTLRHHP-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1C=CCCC1 ZINC000619515608 369453819 /nfs/dbraw/zinc/45/38/19/369453819.db2.gz YJESFIKTZFCGGS-AXFHLTTASA-N 1 2 227.279 1.681 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1C=CCCC1 ZINC000619515608 369453823 /nfs/dbraw/zinc/45/38/23/369453823.db2.gz YJESFIKTZFCGGS-AXFHLTTASA-N 1 2 227.279 1.681 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000619515287 369457451 /nfs/dbraw/zinc/45/74/51/369457451.db2.gz VRFIDRHMLRJVBL-DCAQKATOSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@@H]1CCCO1 ZINC000619515287 369457454 /nfs/dbraw/zinc/45/74/54/369457454.db2.gz VRFIDRHMLRJVBL-DCAQKATOSA-N 1 2 245.294 1.141 20 0 BDADLO C[C@@H](NC(=O)Cc1cccs1)c1[nH+]ccn1C ZINC000082283227 370980164 /nfs/dbraw/zinc/98/01/64/370980164.db2.gz BARONKFCBLFWLG-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO C[C@@H](CNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000619687904 369528359 /nfs/dbraw/zinc/52/83/59/369528359.db2.gz LSEWQVDPXSKLSY-JTQLQIEISA-N 1 2 236.319 1.228 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)CCO1 ZINC000069862395 370990869 /nfs/dbraw/zinc/99/08/69/370990869.db2.gz YRSCCEHSRDOGSZ-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000620078567 369713891 /nfs/dbraw/zinc/71/38/91/369713891.db2.gz MRSYIYSHIOSFMW-IINYFYTJSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]1C ZINC000620211784 369770567 /nfs/dbraw/zinc/77/05/67/369770567.db2.gz QATCUUKXLKPGTJ-SNVBAGLBSA-N 1 2 243.310 1.966 20 0 BDADLO CO[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000620603018 369950531 /nfs/dbraw/zinc/95/05/31/369950531.db2.gz DRTHOYAGTRICFE-UWVGGRQHSA-N 1 2 239.319 1.268 20 0 BDADLO COCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000620603602 369952064 /nfs/dbraw/zinc/95/20/64/369952064.db2.gz JJFISXLRVCYVNC-VIFPVBQESA-N 1 2 237.303 1.024 20 0 BDADLO C[C@H](NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1[nH+]ccn1C ZINC000620604480 369953270 /nfs/dbraw/zinc/95/32/70/369953270.db2.gz RQFZDPNWSAQEQU-MMWGEVLESA-N 1 2 249.314 1.022 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620607278 369955459 /nfs/dbraw/zinc/95/54/59/369955459.db2.gz GJFIVBWWCMERQU-OPRDCNLKSA-N 1 2 221.304 1.643 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620609542 369956589 /nfs/dbraw/zinc/95/65/89/369956589.db2.gz SKUTZKZEWDCBHH-VIFPVBQESA-N 1 2 246.314 1.802 20 0 BDADLO CCn1cnc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000620608947 369956922 /nfs/dbraw/zinc/95/69/22/369956922.db2.gz QBIQZYSVVZKLLE-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)nn1 ZINC000620612544 369958015 /nfs/dbraw/zinc/95/80/15/369958015.db2.gz XYBDBQCWAAYBQB-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1[nH+]ccn1C ZINC000620612575 369958431 /nfs/dbraw/zinc/95/84/31/369958431.db2.gz YXYYWNOZKUWSRK-DBIOUOCHSA-N 1 2 249.314 1.165 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@@H](O)C3CC3)cc2[nH+]1 ZINC000620651974 369973528 /nfs/dbraw/zinc/97/35/28/369973528.db2.gz VIHQTRWXZWQYPC-LBPRGKRZSA-N 1 2 245.282 1.352 20 0 BDADLO C[C@H](NC(=O)C1CCC1)c1[nH+]ccn1C ZINC000620592679 369945207 /nfs/dbraw/zinc/94/52/07/369945207.db2.gz VHNUCDALDSULII-QMMMGPOBSA-N 1 2 207.277 1.397 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(C)(C)C1 ZINC000620740147 369986419 /nfs/dbraw/zinc/98/64/19/369986419.db2.gz YNPUKSXWXSCZTE-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1CC(C)(C)C1 ZINC000620740147 369986424 /nfs/dbraw/zinc/98/64/24/369986424.db2.gz YNPUKSXWXSCZTE-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621244998 370179111 /nfs/dbraw/zinc/17/91/11/370179111.db2.gz KAEAPHXIBBOOON-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621244998 370179114 /nfs/dbraw/zinc/17/91/14/370179114.db2.gz KAEAPHXIBBOOON-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000621214894 370159450 /nfs/dbraw/zinc/15/94/50/370159450.db2.gz OBUHHQNQUPTMLB-CVZZAPKMSA-N 1 2 245.326 1.456 20 0 BDADLO CC[C@@H](C[C@@H](C)CO)Nc1cc(C)[nH+]cn1 ZINC000309685179 370244040 /nfs/dbraw/zinc/24/40/40/370244040.db2.gz HGWLAKRLQPNSCK-KOLCDFICSA-N 1 2 223.320 1.994 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000076345421 370268548 /nfs/dbraw/zinc/26/85/48/370268548.db2.gz FTCMRPBVDGNFEI-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000076345421 370268551 /nfs/dbraw/zinc/26/85/51/370268551.db2.gz FTCMRPBVDGNFEI-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000076400368 370279719 /nfs/dbraw/zinc/27/97/19/370279719.db2.gz JRJJBMHZFKFDIW-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000076400368 370279723 /nfs/dbraw/zinc/27/97/23/370279723.db2.gz JRJJBMHZFKFDIW-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@@H](CO)C2)nc[nH+]1 ZINC000621347873 370282537 /nfs/dbraw/zinc/28/25/37/370282537.db2.gz OFHFNOVQVCKNKP-MWLCHTKSSA-N 1 2 221.304 1.240 20 0 BDADLO C[C@H]1CCN(c2cccc[nH+]2)C[C@@H]1CO ZINC000621348140 370282778 /nfs/dbraw/zinc/28/27/78/370282778.db2.gz SPMNBOZAYGVCFV-WDEREUQCSA-N 1 2 206.289 1.536 20 0 BDADLO CCCc1noc(C[N@H+](CCCO)C2CC2)n1 ZINC000309982567 370283876 /nfs/dbraw/zinc/28/38/76/370283876.db2.gz HJTUNZYDXBNRPI-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@@H+](CCCO)C2CC2)n1 ZINC000309982567 370283880 /nfs/dbraw/zinc/28/38/80/370283880.db2.gz HJTUNZYDXBNRPI-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)no1 ZINC000621378519 370321829 /nfs/dbraw/zinc/32/18/29/370321829.db2.gz YHSOJVPCLJCHPW-SNVBAGLBSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)no1 ZINC000621378519 370321831 /nfs/dbraw/zinc/32/18/31/370321831.db2.gz YHSOJVPCLJCHPW-SNVBAGLBSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@@H](CO)C2)cc[nH+]1 ZINC000621349223 370284970 /nfs/dbraw/zinc/28/49/70/370284970.db2.gz KYENVZCTILCMLT-GXSJLCMTSA-N 1 2 221.304 1.240 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000621556103 370387712 /nfs/dbraw/zinc/38/77/12/370387712.db2.gz BRMPIKZIPNPWTM-QMMMGPOBSA-N 1 2 247.302 1.042 20 0 BDADLO FC(F)Cn1cc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000310286544 370332511 /nfs/dbraw/zinc/33/25/11/370332511.db2.gz MLCSGGWBMCWFDI-UHFFFAOYSA-N 1 2 241.245 1.161 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCCOCC2)n1 ZINC000621625543 370408895 /nfs/dbraw/zinc/40/88/95/370408895.db2.gz TXDFSPMTNIDLLB-QMMMGPOBSA-N 1 2 211.265 1.161 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCCOCC2)n1 ZINC000621625543 370408897 /nfs/dbraw/zinc/40/88/97/370408897.db2.gz TXDFSPMTNIDLLB-QMMMGPOBSA-N 1 2 211.265 1.161 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1nccnc1C ZINC000621712996 370458662 /nfs/dbraw/zinc/45/86/62/370458662.db2.gz XEJJVHKLDUOOPI-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1nccnc1C ZINC000621712996 370458668 /nfs/dbraw/zinc/45/86/68/370458668.db2.gz XEJJVHKLDUOOPI-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1c(C[N@H+](C)Cc2nccnc2C)cnn1C ZINC000621725130 370476932 /nfs/dbraw/zinc/47/69/32/370476932.db2.gz DGVVKXKXOOCZSH-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2nccnc2C)cnn1C ZINC000621725130 370476935 /nfs/dbraw/zinc/47/69/35/370476935.db2.gz DGVVKXKXOOCZSH-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000621725259 370477007 /nfs/dbraw/zinc/47/70/07/370477007.db2.gz IOTGWODLMLQAGV-QMTHXVAHSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000621725259 370477011 /nfs/dbraw/zinc/47/70/11/370477011.db2.gz IOTGWODLMLQAGV-QMTHXVAHSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000621731921 370486337 /nfs/dbraw/zinc/48/63/37/370486337.db2.gz GDRVCZLTFHPTHM-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000621731921 370486338 /nfs/dbraw/zinc/48/63/38/370486338.db2.gz GDRVCZLTFHPTHM-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO C[C@@H](c1ccco1)c1noc(C[NH+](C)C)n1 ZINC000621795641 370542651 /nfs/dbraw/zinc/54/26/51/370542651.db2.gz NHNILPIWFPGLFD-QMMMGPOBSA-N 1 2 221.260 1.876 20 0 BDADLO CCc1cc(NCC(C)(C)OC)nc[nH+]1 ZINC000078471583 370568022 /nfs/dbraw/zinc/56/80/22/370568022.db2.gz YWCDMYOMJKJLHD-UHFFFAOYSA-N 1 2 209.293 1.876 20 0 BDADLO C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)[C@@H]1C ZINC000621900725 370590458 /nfs/dbraw/zinc/59/04/58/370590458.db2.gz FYYYZIBATBXJEQ-NXEZZACHSA-N 1 2 235.331 1.944 20 0 BDADLO CC(C)(C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1c[nH]c[nH+]1 ZINC000621977553 370632170 /nfs/dbraw/zinc/63/21/70/370632170.db2.gz NXIJOECDAARORM-DOFRTFSJSA-N 1 2 233.315 1.602 20 0 BDADLO CCCN(CCC)C(=O)NCCn1cc[nH+]c1 ZINC000079254908 370632533 /nfs/dbraw/zinc/63/25/33/370632533.db2.gz FPCCOASTKBSNRG-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)C(F)F ZINC000622570879 371000539 /nfs/dbraw/zinc/00/05/39/371000539.db2.gz WTZQYIJXNODTSF-UHFFFAOYSA-N 1 2 231.246 1.502 20 0 BDADLO CCC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000622682682 371060179 /nfs/dbraw/zinc/06/01/79/371060179.db2.gz KUBCAHHAZVDWOJ-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO CCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000622682771 371061307 /nfs/dbraw/zinc/06/13/07/371061307.db2.gz NZKLJGPAAKPNDY-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC(C(C)(C)C)C1 ZINC000622684773 371062889 /nfs/dbraw/zinc/06/28/89/371062889.db2.gz TUMQSGRLFNJRNX-UHFFFAOYSA-N 1 2 249.358 1.857 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCC(F)(F)F)c1 ZINC000622685968 371063722 /nfs/dbraw/zinc/06/37/22/371063722.db2.gz SMLOGJGNFOLNMO-UHFFFAOYSA-N 1 2 249.236 1.421 20 0 BDADLO O[C@@H]1CC[N@H+](CCNCc2ccc(Cl)o2)C1 ZINC000623757305 371083657 /nfs/dbraw/zinc/08/36/57/371083657.db2.gz SJLSPXPHVYESLG-SECBINFHSA-N 1 2 244.722 1.089 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000569240275 326397283 /nfs/dbraw/zinc/39/72/83/326397283.db2.gz MPSJNDRRLDQNDS-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000569240275 326397285 /nfs/dbraw/zinc/39/72/85/326397285.db2.gz MPSJNDRRLDQNDS-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCc1cc(NCc2cocn2)nc[nH+]1 ZINC000389926481 371182082 /nfs/dbraw/zinc/18/20/82/371182082.db2.gz WMUGMNDAWZWUQF-UHFFFAOYSA-N 1 2 204.233 1.061 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000390814758 371234175 /nfs/dbraw/zinc/23/41/75/371234175.db2.gz HRQFSCSRNBFIJH-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO CCCCc1cc(NCCn2cccn2)nc[nH+]1 ZINC000631070216 371297093 /nfs/dbraw/zinc/29/70/93/371297093.db2.gz QLBASCLGWMWSEU-UHFFFAOYSA-N 1 2 245.330 1.550 20 0 BDADLO CCO[C@H](C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000624075675 371293849 /nfs/dbraw/zinc/29/38/49/371293849.db2.gz RKSBQSDPWFSVDY-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO C/C=C/CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000624086455 371297837 /nfs/dbraw/zinc/29/78/37/371297837.db2.gz GZCVQHPZBHYBLC-GKQMSVHHSA-N 1 2 234.303 1.142 20 0 BDADLO C/C=C/CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000624086455 371297841 /nfs/dbraw/zinc/29/78/41/371297841.db2.gz GZCVQHPZBHYBLC-GKQMSVHHSA-N 1 2 234.303 1.142 20 0 BDADLO CCc1cc(N[C@H]2CCCCNC2=O)nc[nH+]1 ZINC000391616215 371311677 /nfs/dbraw/zinc/31/16/77/371311677.db2.gz GPMRYZAVJGWBBX-JTQLQIEISA-N 1 2 234.303 1.120 20 0 BDADLO CCO[C@H]1CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000156025266 371341989 /nfs/dbraw/zinc/34/19/89/371341989.db2.gz RVZXGFUJJDUBGA-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCO[C@H]1CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000156025266 371341993 /nfs/dbraw/zinc/34/19/93/371341993.db2.gz RVZXGFUJJDUBGA-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO c1cn2c([nH+]1)CN(c1cc3c(nn1)CCC3)CC2 ZINC000624508256 371524938 /nfs/dbraw/zinc/52/49/38/371524938.db2.gz YUJBYPGYBWWUNW-UHFFFAOYSA-N 1 2 241.298 1.182 20 0 BDADLO C[C@H](NC(=O)NCC1CC=CC1)c1[nH+]ccn1C ZINC000624388748 371498008 /nfs/dbraw/zinc/49/80/08/371498008.db2.gz GOEWWTQZBFICMQ-JTQLQIEISA-N 1 2 248.330 1.747 20 0 BDADLO COc1ccc2[nH+]c(N3CC[C@H](O)C3)ccc2c1 ZINC000131551084 371621087 /nfs/dbraw/zinc/62/10/87/371621087.db2.gz MPXMWZRVGRZKPA-NSHDSACASA-N 1 2 244.294 1.814 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627603834 371773646 /nfs/dbraw/zinc/77/36/46/371773646.db2.gz IQOAZZOSFKILON-QMAVJUDZSA-N 1 2 247.342 1.836 20 0 BDADLO CC(C)(NC(=O)COCC(F)F)c1[nH]cc[nH+]1 ZINC000627657025 371816122 /nfs/dbraw/zinc/81/61/22/371816122.db2.gz JWWGOLSSOAMSNL-UHFFFAOYSA-N 1 2 247.245 1.043 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCSCC1 ZINC000283574390 181835538 /nfs/dbraw/zinc/83/55/38/181835538.db2.gz VWSXUSZISJSDMU-NSCUHMNNSA-N 1 2 237.328 1.388 20 0 BDADLO FC1(F)CCC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000306727774 372061392 /nfs/dbraw/zinc/06/13/92/372061392.db2.gz MWTHFSGLUWFGCM-QMMMGPOBSA-N 1 2 201.220 1.687 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cncc(Cl)c1 ZINC000307969930 372158307 /nfs/dbraw/zinc/15/83/07/372158307.db2.gz FAVIQMCJRPXVDE-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cncc(Cl)c1 ZINC000307969930 372158310 /nfs/dbraw/zinc/15/83/10/372158310.db2.gz FAVIQMCJRPXVDE-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO CC[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C(F)F ZINC000631148264 372209671 /nfs/dbraw/zinc/20/96/71/372209671.db2.gz TTYOTARUUUGZFF-QMMMGPOBSA-N 1 2 216.231 1.921 20 0 BDADLO Cc1nc(N[C@H]2CCCC(F)(F)C2)nc(N)[nH+]1 ZINC000631171328 372215359 /nfs/dbraw/zinc/21/53/59/372215359.db2.gz WKDSYVUOQOJUCX-ZETCQYMHSA-N 1 2 243.261 1.582 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCCC(F)(F)C2)[nH+]1 ZINC000631171328 372215369 /nfs/dbraw/zinc/21/53/69/372215369.db2.gz WKDSYVUOQOJUCX-ZETCQYMHSA-N 1 2 243.261 1.582 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000631180025 372219672 /nfs/dbraw/zinc/21/96/72/372219672.db2.gz MCIIVCXQGABXNF-LLVKDONJSA-N 1 2 243.314 1.237 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000631180025 372219676 /nfs/dbraw/zinc/21/96/76/372219676.db2.gz MCIIVCXQGABXNF-LLVKDONJSA-N 1 2 243.314 1.237 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000631131293 372204694 /nfs/dbraw/zinc/20/46/94/372204694.db2.gz UYFLFNVTPMCVCC-OUAUKWLOSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)[nH+]1 ZINC000631131293 372204699 /nfs/dbraw/zinc/20/46/99/372204699.db2.gz UYFLFNVTPMCVCC-OUAUKWLOSA-N 1 2 247.346 1.973 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ccc(C)o1 ZINC000631242351 372254822 /nfs/dbraw/zinc/25/48/22/372254822.db2.gz GZXKLKZMRAOCIH-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1CSC1 ZINC000631255648 372263904 /nfs/dbraw/zinc/26/39/04/372263904.db2.gz PUOMVCZWPKOXKR-UHFFFAOYSA-N 1 2 233.296 1.636 20 0 BDADLO CCCCc1cc(NC[C@H](O)C2CCC2)nc[nH+]1 ZINC000631300471 372285525 /nfs/dbraw/zinc/28/55/25/372285525.db2.gz ATVMQCWAKLUQBF-ZDUSSCGKSA-N 1 2 249.358 1.814 20 0 BDADLO Cc1nc(N2CC(C)(C)C[C@H]2C)nc(N)[nH+]1 ZINC000631304419 372286498 /nfs/dbraw/zinc/28/64/98/372286498.db2.gz UBVGMMBSSOQMAN-SSDOTTSWSA-N 1 2 221.308 1.217 20 0 BDADLO Cc1nc(N)nc(N2CC(C)(C)C[C@H]2C)[nH+]1 ZINC000631304419 372286506 /nfs/dbraw/zinc/28/65/06/372286506.db2.gz UBVGMMBSSOQMAN-SSDOTTSWSA-N 1 2 221.308 1.217 20 0 BDADLO Cc1nc(N2CCC(C3CCC3)CC2)nc(N)[nH+]1 ZINC000631363191 372315996 /nfs/dbraw/zinc/31/59/96/372315996.db2.gz CIVUNCZPNRNLIS-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CCC(C3CCC3)CC2)[nH+]1 ZINC000631363191 372316001 /nfs/dbraw/zinc/31/60/01/372316001.db2.gz CIVUNCZPNRNLIS-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](C)C2)o1 ZINC000171695367 372736834 /nfs/dbraw/zinc/73/68/34/372736834.db2.gz DJTCCLGARZCQFY-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](C)C2)o1 ZINC000171695367 372736835 /nfs/dbraw/zinc/73/68/35/372736835.db2.gz DJTCCLGARZCQFY-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO O=C(COc1cc[nH+]cc1)NCc1ccccc1 ZINC000356097748 182004007 /nfs/dbraw/zinc/00/40/07/182004007.db2.gz PLIXHGOUEFXJLB-UHFFFAOYSA-N 1 2 242.278 1.777 20 0 BDADLO O=C(CSC(F)(F)F)NCc1[nH]cc[nH+]1 ZINC000264963752 182006731 /nfs/dbraw/zinc/00/67/31/182006731.db2.gz BJNFRQFUGWEQDD-UHFFFAOYSA-N 1 2 239.222 1.279 20 0 BDADLO Cc1conc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000632411928 372924795 /nfs/dbraw/zinc/92/47/95/372924795.db2.gz NRISQTFNYCMSMX-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1conc1C)CC2 ZINC000632382987 372912056 /nfs/dbraw/zinc/91/20/56/372912056.db2.gz PLAZKZZNEMVIDL-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000632391339 372913791 /nfs/dbraw/zinc/91/37/91/372913791.db2.gz XIJFFDDSTKLRKC-QMMMGPOBSA-N 1 2 222.292 1.142 20 0 BDADLO O=C(C[C@H]1CCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329372391 182028776 /nfs/dbraw/zinc/02/87/76/182028776.db2.gz MMNQRLXDYOGDPG-GHMZBOCLSA-N 1 2 249.314 1.642 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)no1 ZINC000172958948 373110962 /nfs/dbraw/zinc/11/09/62/373110962.db2.gz YNLLNKDSDLEYHP-DTORHVGOSA-N 1 2 221.304 1.720 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)no1 ZINC000172958948 373110966 /nfs/dbraw/zinc/11/09/66/373110966.db2.gz YNLLNKDSDLEYHP-DTORHVGOSA-N 1 2 221.304 1.720 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@H]2CCCC[C@H]21 ZINC000366086409 182071800 /nfs/dbraw/zinc/07/18/00/182071800.db2.gz IWXJLXGFNFCISF-GHMZBOCLSA-N 1 2 219.288 1.284 20 0 BDADLO CC(C)CCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632857758 373194879 /nfs/dbraw/zinc/19/48/79/373194879.db2.gz WRWFATICYXLAPQ-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CCOC(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000633131719 373300239 /nfs/dbraw/zinc/30/02/39/373300239.db2.gz LEHREZXBOBPNSL-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CCOC(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000633131719 373300245 /nfs/dbraw/zinc/30/02/45/373300245.db2.gz LEHREZXBOBPNSL-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336370581 182112984 /nfs/dbraw/zinc/11/29/84/182112984.db2.gz KKICRKRFUCNJAA-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCC1(C)CC1 ZINC000633199374 373339107 /nfs/dbraw/zinc/33/91/07/373339107.db2.gz VPASEQCPWHQXSW-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CC[C@H]2C(F)F)C1 ZINC000633240340 373396259 /nfs/dbraw/zinc/39/62/59/373396259.db2.gz NWFLTJYCAYFSOA-QMMMGPOBSA-N 1 2 232.274 1.194 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CC[C@@H]2C(F)F)C1 ZINC000633240339 373396387 /nfs/dbraw/zinc/39/63/87/373396387.db2.gz NWFLTJYCAYFSOA-MRVPVSSYSA-N 1 2 232.274 1.194 20 0 BDADLO CC[C@@](C)([NH2+]Cc1nc(C)c(C)o1)C(N)=O ZINC000177128824 205603373 /nfs/dbraw/zinc/60/33/73/205603373.db2.gz FOQFVLCQFWLTON-LLVKDONJSA-N 1 2 225.292 1.035 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCCO ZINC000633290314 373452622 /nfs/dbraw/zinc/45/26/22/373452622.db2.gz SDHQFOCTFOVUGC-SNVBAGLBSA-N 1 2 239.319 1.243 20 0 BDADLO CC(C)(F)CNC(=O)CCn1cc[nH+]c1 ZINC000633723903 373719413 /nfs/dbraw/zinc/71/94/13/373719413.db2.gz DTIOCSDRMDABBL-UHFFFAOYSA-N 1 2 213.256 1.138 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CCCOC1 ZINC000263920033 182188293 /nfs/dbraw/zinc/18/82/93/182188293.db2.gz FKCRMOBQQGZQHY-LLVKDONJSA-N 1 2 249.314 1.036 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CC=CCC1 ZINC000299212569 182189277 /nfs/dbraw/zinc/18/92/77/182189277.db2.gz GRYSVAZYSGCWRS-LBPRGKRZSA-N 1 2 245.326 1.966 20 0 BDADLO O=C(NCCc1cn2ccccc2[nH+]1)C(F)F ZINC000298087541 182210447 /nfs/dbraw/zinc/21/04/47/182210447.db2.gz NKNVGAWOMDAXHU-UHFFFAOYSA-N 1 2 239.225 1.258 20 0 BDADLO Cc1sccc1NC(=O)Cc1c[nH+]cn1C ZINC000634218629 374039308 /nfs/dbraw/zinc/03/93/08/374039308.db2.gz ZHZJZJQRCICVQH-UHFFFAOYSA-N 1 2 235.312 1.971 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364022242 182263309 /nfs/dbraw/zinc/26/33/09/182263309.db2.gz NLTLODUXVXKEHY-JTQLQIEISA-N 1 2 245.282 1.355 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCCC1 ZINC000177784266 182264402 /nfs/dbraw/zinc/26/44/02/182264402.db2.gz CNLBRPBTRUQTTP-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC(F)(F)C1 ZINC000300901257 182274302 /nfs/dbraw/zinc/27/43/02/182274302.db2.gz WEFCUXDSODOYAS-ZETCQYMHSA-N 1 2 229.230 1.461 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CCC1 ZINC000336534895 182302263 /nfs/dbraw/zinc/30/22/63/182302263.db2.gz FNSBGASLBAJCJA-GFCCVEGCSA-N 1 2 243.310 1.497 20 0 BDADLO CC[C@H](SC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000437657822 206071791 /nfs/dbraw/zinc/07/17/91/206071791.db2.gz RXTRGYDIQPJFDQ-QMMMGPOBSA-N 1 2 227.333 1.510 20 0 BDADLO Cc1nc(N2CCc3ncsc3C2)cc[nH+]1 ZINC000445672054 206084777 /nfs/dbraw/zinc/08/47/77/206084777.db2.gz IWTAFBNMLPXBKG-UHFFFAOYSA-N 1 2 232.312 1.804 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1nccs1 ZINC000365207401 182313267 /nfs/dbraw/zinc/31/32/67/182313267.db2.gz XXGRAYMFCPGXOD-SSDOTTSWSA-N 1 2 248.311 1.154 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1nccs1 ZINC000365207401 182313269 /nfs/dbraw/zinc/31/32/69/182313269.db2.gz XXGRAYMFCPGXOD-SSDOTTSWSA-N 1 2 248.311 1.154 20 0 BDADLO Cc1cc(N2C[C@H](C)O[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000445673920 206086432 /nfs/dbraw/zinc/08/64/32/206086432.db2.gz GVLRFVPWSHJYCF-GARJFASQSA-N 1 2 221.304 1.787 20 0 BDADLO CC[N@H+](Cc1ncccc1C)C1COC1 ZINC000449425415 206097892 /nfs/dbraw/zinc/09/78/92/206097892.db2.gz MOCGYWRUPNYWFG-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1ncccc1C)C1COC1 ZINC000449425415 206097897 /nfs/dbraw/zinc/09/78/97/206097897.db2.gz MOCGYWRUPNYWFG-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000333334558 182344057 /nfs/dbraw/zinc/34/40/57/182344057.db2.gz DFYRWMNQAYHCQH-JGPRNRPPSA-N 1 2 246.314 1.207 20 0 BDADLO COC1(C)C[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000459579995 206135736 /nfs/dbraw/zinc/13/57/36/206135736.db2.gz JKVFGVDAOSPLSJ-UHFFFAOYSA-N 1 2 245.273 1.369 20 0 BDADLO O=C(Nc1cccc(O)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336562933 182371983 /nfs/dbraw/zinc/37/19/83/182371983.db2.gz OPXBDWMXMDFLCN-SECBINFHSA-N 1 2 242.225 1.328 20 0 BDADLO O=C(Nc1cccc2[nH]ccc21)[C@@H]1COCC[NH2+]1 ZINC000262635285 182372368 /nfs/dbraw/zinc/37/23/68/182372368.db2.gz YTZRNBJZKZYMDF-LBPRGKRZSA-N 1 2 245.282 1.095 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCCO1 ZINC000280670768 182385305 /nfs/dbraw/zinc/38/53/05/182385305.db2.gz BMAWOLLYEXZPRL-NSHDSACASA-N 1 2 245.282 1.842 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCOC1 ZINC000280837665 182385362 /nfs/dbraw/zinc/38/53/62/182385362.db2.gz VAEMYUSHNFYUKU-VIFPVBQESA-N 1 2 231.255 1.309 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000342119828 170219986 /nfs/dbraw/zinc/21/99/86/170219986.db2.gz DAVPNEAPTCQCQZ-QMMMGPOBSA-N 1 2 239.237 1.824 20 0 BDADLO O=C(c1c[nH]cn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000263750254 182699121 /nfs/dbraw/zinc/69/91/21/182699121.db2.gz PVDNJBNPZUBAIF-JTQLQIEISA-N 1 2 245.286 1.500 20 0 BDADLO OCC1([NH2+]Cc2ccn[nH]2)CCCCC1 ZINC000053096435 183038314 /nfs/dbraw/zinc/03/83/14/183038314.db2.gz VUNZGOODAOZMLF-UHFFFAOYSA-N 1 2 209.293 1.195 20 0 BDADLO OCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000268252402 183055981 /nfs/dbraw/zinc/05/59/81/183055981.db2.gz JGKBVZQFPKGYAF-NSHDSACASA-N 1 2 227.329 1.504 20 0 BDADLO OCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000268252402 183055983 /nfs/dbraw/zinc/05/59/83/183055983.db2.gz JGKBVZQFPKGYAF-NSHDSACASA-N 1 2 227.329 1.504 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000177706419 183074891 /nfs/dbraw/zinc/07/48/91/183074891.db2.gz NSVIXNQJZUUADW-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000177706419 183074894 /nfs/dbraw/zinc/07/48/94/183074894.db2.gz NSVIXNQJZUUADW-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO OCCOCCCNc1cc[nH+]c2ccncc12 ZINC000272423420 183082425 /nfs/dbraw/zinc/08/24/25/183082425.db2.gz NRUBLQZIFGDZRH-UHFFFAOYSA-N 1 2 247.298 1.441 20 0 BDADLO OCC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000301362128 183090602 /nfs/dbraw/zinc/09/06/02/183090602.db2.gz PBMQBINEPIANEV-LLVKDONJSA-N 1 2 233.315 1.927 20 0 BDADLO OCC[C@@H]1CSCC[N@@H+]1Cc1nccs1 ZINC000355086269 183095303 /nfs/dbraw/zinc/09/53/03/183095303.db2.gz JSFVBRFPVKJYKN-SECBINFHSA-N 1 2 244.385 1.443 20 0 BDADLO OCC[C@@H]1CSCC[N@H+]1Cc1nccs1 ZINC000355086269 183095304 /nfs/dbraw/zinc/09/53/04/183095304.db2.gz JSFVBRFPVKJYKN-SECBINFHSA-N 1 2 244.385 1.443 20 0 BDADLO OC[C@@H](Nc1cccc[nH+]1)C1CCOCC1 ZINC000336669188 183111482 /nfs/dbraw/zinc/11/14/82/183111482.db2.gz GPSKKXXAUVIWAM-LLVKDONJSA-N 1 2 222.288 1.281 20 0 BDADLO OCCc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000294292133 183100556 /nfs/dbraw/zinc/10/05/56/183100556.db2.gz ZGDDUGKBOKBHIN-CYBMUJFWSA-N 1 2 243.310 1.975 20 0 BDADLO CCCC[C@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000336646381 169011370 /nfs/dbraw/zinc/01/13/70/169011370.db2.gz DSUYQNIDCZBPAD-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000041053388 169011645 /nfs/dbraw/zinc/01/16/45/169011645.db2.gz FWIKESVIFWCROG-MNOVXSKESA-N 1 2 229.320 1.487 20 0 BDADLO CCCCc1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351926134 169031628 /nfs/dbraw/zinc/03/16/28/169031628.db2.gz IFRHCGPIFHUKCN-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000351926134 169031631 /nfs/dbraw/zinc/03/16/31/169031631.db2.gz IFRHCGPIFHUKCN-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000336709771 169031653 /nfs/dbraw/zinc/03/16/53/169031653.db2.gz PXHDVTUDJGGYEQ-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000336709771 169031656 /nfs/dbraw/zinc/03/16/56/169031656.db2.gz PXHDVTUDJGGYEQ-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO OC[C@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000294136952 183151104 /nfs/dbraw/zinc/15/11/04/183151104.db2.gz QGHQHTTYPGVTAO-NSHDSACASA-N 1 2 206.289 1.680 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC000095078597 183151306 /nfs/dbraw/zinc/15/13/06/183151306.db2.gz BLIKSFMYPFTWBI-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC000095078597 183151308 /nfs/dbraw/zinc/15/13/08/183151308.db2.gz BLIKSFMYPFTWBI-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000270213122 183153195 /nfs/dbraw/zinc/15/31/95/183153195.db2.gz JXAIPYVFVBFMQP-NSHDSACASA-N 1 2 248.330 1.117 20 0 BDADLO OC[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000270213122 183153196 /nfs/dbraw/zinc/15/31/96/183153196.db2.gz JXAIPYVFVBFMQP-NSHDSACASA-N 1 2 248.330 1.117 20 0 BDADLO O[C@@H](CNc1cccc[nH+]1)C(F)(F)F ZINC000065202376 183181530 /nfs/dbraw/zinc/18/15/30/183181530.db2.gz OVNSNEPITLWZBQ-LURJTMIESA-N 1 2 206.167 1.417 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@H](C2CC2)C1)C(F)(F)F ZINC000362564519 183221191 /nfs/dbraw/zinc/22/11/91/183221191.db2.gz LNKSXEGBSNBVEL-DTWKUNHWSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@H](C2CC2)C1)C(F)(F)F ZINC000362564519 183221194 /nfs/dbraw/zinc/22/11/94/183221194.db2.gz LNKSXEGBSNBVEL-DTWKUNHWSA-N 1 2 239.237 1.020 20 0 BDADLO CCC[N@H+](C/C=C/Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000282436466 169090719 /nfs/dbraw/zinc/09/07/19/169090719.db2.gz HUXSDEFEGXGQBX-XNPJLODASA-N 1 2 244.722 1.208 20 0 BDADLO CCC[N@@H+](C/C=C/Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000282436466 169090721 /nfs/dbraw/zinc/09/07/21/169090721.db2.gz HUXSDEFEGXGQBX-XNPJLODASA-N 1 2 244.722 1.208 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)Cn1cccn1 ZINC000171350353 169108528 /nfs/dbraw/zinc/10/85/28/169108528.db2.gz LCRVLYBPDBGWHL-JTQLQIEISA-N 1 2 247.289 1.221 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)Cn1cccn1 ZINC000171350353 169108530 /nfs/dbraw/zinc/10/85/30/169108530.db2.gz LCRVLYBPDBGWHL-JTQLQIEISA-N 1 2 247.289 1.221 20 0 BDADLO O[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000137030951 183240112 /nfs/dbraw/zinc/24/01/12/183240112.db2.gz BWCUSHFDHQDWFG-JTQLQIEISA-N 1 2 224.329 1.587 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000137030951 183240113 /nfs/dbraw/zinc/24/01/13/183240113.db2.gz BWCUSHFDHQDWFG-JTQLQIEISA-N 1 2 224.329 1.587 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccccc1F ZINC000339708529 169111099 /nfs/dbraw/zinc/11/10/99/169111099.db2.gz FWFGSTGZHZDXFL-UHFFFAOYSA-N 1 2 224.279 1.523 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccccc1F ZINC000339708529 169111101 /nfs/dbraw/zinc/11/11/01/169111101.db2.gz FWFGSTGZHZDXFL-UHFFFAOYSA-N 1 2 224.279 1.523 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000303993833 183236270 /nfs/dbraw/zinc/23/62/70/183236270.db2.gz OBZICJYXJGFQQW-JTQLQIEISA-N 1 2 249.270 1.286 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000303993833 183236271 /nfs/dbraw/zinc/23/62/71/183236271.db2.gz OBZICJYXJGFQQW-JTQLQIEISA-N 1 2 249.270 1.286 20 0 BDADLO CCCN(CCC)C(=O)CCc1[nH]cc[nH+]1 ZINC000279244976 169142280 /nfs/dbraw/zinc/14/22/80/169142280.db2.gz SGRRVKXYPNFYFJ-UHFFFAOYSA-N 1 2 223.320 1.991 20 0 BDADLO CCC[N@H+](CCO)Cc1c(F)ccc(O)c1F ZINC000294935675 169165585 /nfs/dbraw/zinc/16/55/85/169165585.db2.gz PAPBIHFEHMVDDB-UHFFFAOYSA-N 1 2 245.269 1.875 20 0 BDADLO CCC[N@@H+](CCO)Cc1c(F)ccc(O)c1F ZINC000294935675 169165587 /nfs/dbraw/zinc/16/55/87/169165587.db2.gz PAPBIHFEHMVDDB-UHFFFAOYSA-N 1 2 245.269 1.875 20 0 BDADLO O=c1[nH]nc(C[NH+](C2CCC2)C2CCC2)[nH]1 ZINC000330241831 183304994 /nfs/dbraw/zinc/30/49/94/183304994.db2.gz JDSMMEFULIJRQO-UHFFFAOYSA-N 1 2 222.292 1.417 20 0 BDADLO c1c[nH+]c(CNc2cnc3c(c2)COCC3)[nH]1 ZINC000360014086 183326814 /nfs/dbraw/zinc/32/68/14/183326814.db2.gz IIQFNWDKQUWBMM-UHFFFAOYSA-N 1 2 230.271 1.490 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2csnn2)[nH]1 ZINC000375346445 183327612 /nfs/dbraw/zinc/32/76/12/183327612.db2.gz YJCROHMBUXHHJL-VIFPVBQESA-N 1 2 235.316 1.598 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1ncc[nH]1)CC2 ZINC000276949250 183308789 /nfs/dbraw/zinc/30/87/89/183308789.db2.gz OJKYZFFKBFTUGP-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC000276949250 183308791 /nfs/dbraw/zinc/30/87/91/183308791.db2.gz OJKYZFFKBFTUGP-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1ccon1)CC2 ZINC000276945433 183309663 /nfs/dbraw/zinc/30/96/63/183309663.db2.gz NZQHMWDFRWYLHO-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1ccon1)CC2 ZINC000276945433 183309665 /nfs/dbraw/zinc/30/96/65/183309665.db2.gz NZQHMWDFRWYLHO-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000356100897 169223636 /nfs/dbraw/zinc/22/36/36/169223636.db2.gz TYDARBFENSHDOW-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000356100897 169223637 /nfs/dbraw/zinc/22/36/37/169223637.db2.gz TYDARBFENSHDOW-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]2c2ncon2)c[nH]1 ZINC000371374001 183342283 /nfs/dbraw/zinc/34/22/83/183342283.db2.gz PGJUDLHXCYBIJY-JTQLQIEISA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]2c2ncon2)c[nH]1 ZINC000371374001 183342286 /nfs/dbraw/zinc/34/22/86/183342286.db2.gz PGJUDLHXCYBIJY-JTQLQIEISA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)no1 ZINC000369786349 183344184 /nfs/dbraw/zinc/34/41/84/183344184.db2.gz GEVVYBAGYCVUCT-GHMZBOCLSA-N 1 2 208.261 1.428 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)no1 ZINC000369786349 183344186 /nfs/dbraw/zinc/34/41/86/183344186.db2.gz GEVVYBAGYCVUCT-GHMZBOCLSA-N 1 2 208.261 1.428 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCCC3)on1 ZINC000270610483 183344353 /nfs/dbraw/zinc/34/43/53/183344353.db2.gz IELDMAQDYYEJQT-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCCC3)on1 ZINC000270610483 183344356 /nfs/dbraw/zinc/34/43/56/183344356.db2.gz IELDMAQDYYEJQT-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)no1 ZINC000135541147 183346357 /nfs/dbraw/zinc/34/63/57/183346357.db2.gz NGTANGIEQFMOLV-QWRGUYRKSA-N 1 2 240.328 1.381 20 0 BDADLO c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)no1 ZINC000135541147 183346358 /nfs/dbraw/zinc/34/63/58/183346358.db2.gz NGTANGIEQFMOLV-QWRGUYRKSA-N 1 2 240.328 1.381 20 0 BDADLO c1cn(CCNc2ccnc3ccncc32)c[nH+]1 ZINC000352409266 183363850 /nfs/dbraw/zinc/36/38/50/183363850.db2.gz IURQXWWVRNRCCN-UHFFFAOYSA-N 1 2 239.282 1.360 20 0 BDADLO c1cc2ccc(C[NH2+]Cc3csnn3)nc2[nH]1 ZINC000356290132 183376181 /nfs/dbraw/zinc/37/61/81/183376181.db2.gz YDFIYVFGSAIWMD-UHFFFAOYSA-N 1 2 245.311 1.704 20 0 BDADLO c1cn(CCn2nnc(-c3ccccc3)n2)c[nH+]1 ZINC000124420950 183384913 /nfs/dbraw/zinc/38/49/13/183384913.db2.gz AGLIRESHCRLUEL-UHFFFAOYSA-N 1 2 240.270 1.237 20 0 BDADLO CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000369976931 169250052 /nfs/dbraw/zinc/25/00/52/169250052.db2.gz YGXPLCQZXZJYIH-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000369976931 169250054 /nfs/dbraw/zinc/25/00/54/169250054.db2.gz YGXPLCQZXZJYIH-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCOCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266035534 169308260 /nfs/dbraw/zinc/30/82/60/169308260.db2.gz FFDIOCWVCIKRCY-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO CCCSc1[nH+]cnc2c1cnn2C ZINC000078415429 169341933 /nfs/dbraw/zinc/34/19/33/169341933.db2.gz XYFXFJXLRVVVHW-UHFFFAOYSA-N 1 2 208.290 1.865 20 0 BDADLO CCCSCC(=O)Nc1cc[nH+]cc1O ZINC000109889710 169338346 /nfs/dbraw/zinc/33/83/46/169338346.db2.gz CPHYSYOUJGOCDI-UHFFFAOYSA-N 1 2 226.301 1.869 20 0 BDADLO CCC[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000128721868 169350595 /nfs/dbraw/zinc/35/05/95/169350595.db2.gz YZYYLSYTWMNBMP-SECBINFHSA-N 1 2 209.293 1.505 20 0 BDADLO c1coc([C@H]2COCC[N@H+]2C[C@H]2CCCO2)c1 ZINC000375798725 183513072 /nfs/dbraw/zinc/51/30/72/183513072.db2.gz XDOQFXWZEZUOQW-VXGBXAGGSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@H]2COCC[N@@H+]2C[C@H]2CCCO2)c1 ZINC000375798725 183513075 /nfs/dbraw/zinc/51/30/75/183513075.db2.gz XDOQFXWZEZUOQW-VXGBXAGGSA-N 1 2 237.299 1.832 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H]2C)no1 ZINC000182522042 134345711 /nfs/dbraw/zinc/34/57/11/134345711.db2.gz RWTQZGOOJBZSTL-MRVPVSSYSA-N 1 2 211.265 1.200 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H]2C)no1 ZINC000182522042 134345712 /nfs/dbraw/zinc/34/57/12/134345712.db2.gz RWTQZGOOJBZSTL-MRVPVSSYSA-N 1 2 211.265 1.200 20 0 BDADLO CC[C@H]1CC[N@H+](Cc2noc(COC)n2)C1 ZINC000182548479 134345905 /nfs/dbraw/zinc/34/59/05/134345905.db2.gz RRVNOAXMFKFARZ-VIFPVBQESA-N 1 2 225.292 1.448 20 0 BDADLO CC[C@H]1CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000182548479 134345906 /nfs/dbraw/zinc/34/59/06/134345906.db2.gz RRVNOAXMFKFARZ-VIFPVBQESA-N 1 2 225.292 1.448 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCOC(C)(C)C1 ZINC000077901452 535457628 /nfs/dbraw/zinc/45/76/28/535457628.db2.gz BFNCYQCGQNIXHU-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCOC(C)(C)C1 ZINC000077901452 535457633 /nfs/dbraw/zinc/45/76/33/535457633.db2.gz BFNCYQCGQNIXHU-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)C(=O)N(C)C ZINC000225313755 134354149 /nfs/dbraw/zinc/35/41/49/134354149.db2.gz GGLAFHJAEFUYCP-LURJTMIESA-N 1 2 247.751 1.363 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000111273786 383848339 /nfs/dbraw/zinc/84/83/39/383848339.db2.gz QLRZEZXTHQTVSB-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CCCc1noc(C[N@H+](C)CCn2cccn2)n1 ZINC000111282370 383849721 /nfs/dbraw/zinc/84/97/21/383849721.db2.gz FGJVUDKRPJCKMA-UHFFFAOYSA-N 1 2 249.318 1.351 20 0 BDADLO CCCc1noc(C[N@@H+](C)CCn2cccn2)n1 ZINC000111282370 383849728 /nfs/dbraw/zinc/84/97/28/383849728.db2.gz FGJVUDKRPJCKMA-UHFFFAOYSA-N 1 2 249.318 1.351 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cccc3c2OCO3)n1 ZINC000112342124 383918843 /nfs/dbraw/zinc/91/88/43/383918843.db2.gz LKYWRRXPGCNYAG-UHFFFAOYSA-N 1 2 245.282 1.439 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ccn(C)n1 ZINC000112340689 383919245 /nfs/dbraw/zinc/91/92/45/383919245.db2.gz AOPFLRVEAFPCRM-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO CCCN(C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000292387624 383928265 /nfs/dbraw/zinc/92/82/65/383928265.db2.gz QPEXZRHSMFCXFX-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO C[C@H](Cn1cncn1)Nc1cc[nH+]c(C2CC2)n1 ZINC000112554254 383932244 /nfs/dbraw/zinc/93/22/44/383932244.db2.gz ZZUOZMZRZKFVPW-SECBINFHSA-N 1 2 244.302 1.446 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000085494468 383884386 /nfs/dbraw/zinc/88/43/86/383884386.db2.gz KAQARGPZPUTKTE-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ccc(F)c(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088357890 383895134 /nfs/dbraw/zinc/89/51/34/383895134.db2.gz ZJWWYAFUXLMRJJ-LLVKDONJSA-N 1 2 238.262 1.061 20 0 BDADLO CC(C)c1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088357897 383895275 /nfs/dbraw/zinc/89/52/75/383895275.db2.gz PGCKNCZFAPLJLU-ZDUSSCGKSA-N 1 2 248.326 1.737 20 0 BDADLO CC[C@@H](C)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000088327490 383896655 /nfs/dbraw/zinc/89/66/55/383896655.db2.gz KIZRMPSEVMXACA-SECBINFHSA-N 1 2 230.333 1.381 20 0 BDADLO CC[C@H]([NH2+]Cc1ccnn1C)C(F)F ZINC000449364582 383990053 /nfs/dbraw/zinc/99/00/53/383990053.db2.gz SMQIWHPRYXJOFO-QMMMGPOBSA-N 1 2 203.236 1.553 20 0 BDADLO COc1ncncc1C[NH2+]Cc1occc1C ZINC000647212736 383958464 /nfs/dbraw/zinc/95/84/64/383958464.db2.gz TXDLCKMKGPWOAM-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn(C)c1)C(F)F ZINC000449358114 383967981 /nfs/dbraw/zinc/96/79/81/383967981.db2.gz DVPJAWVAPFPSPV-QMMMGPOBSA-N 1 2 203.236 1.553 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCO[C@@H](CF)C1 ZINC000569378467 383971187 /nfs/dbraw/zinc/97/11/87/383971187.db2.gz RZYSNCTYJILRHN-NSHDSACASA-N 1 2 239.294 1.658 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CC1)c1ccc(OC)cc1 ZINC000037967907 384046537 /nfs/dbraw/zinc/04/65/37/384046537.db2.gz KQCWGSODOLZZBD-CYBMUJFWSA-N 1 2 249.310 1.909 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000037967806 384047792 /nfs/dbraw/zinc/04/77/92/384047792.db2.gz LEKHVYYBRMADLM-GFCCVEGCSA-N 1 2 219.284 1.900 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(O)cc1 ZINC000037989173 384050541 /nfs/dbraw/zinc/05/05/41/384050541.db2.gz AYXSIIUWEZTNKK-UHFFFAOYSA-N 1 2 217.272 1.714 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](O)C1 ZINC000074325180 384030962 /nfs/dbraw/zinc/03/09/62/384030962.db2.gz FYBTZBLDQRPEQC-IONNQARKSA-N 1 2 223.276 1.075 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](O)C1 ZINC000074325180 384030966 /nfs/dbraw/zinc/03/09/66/384030966.db2.gz FYBTZBLDQRPEQC-IONNQARKSA-N 1 2 223.276 1.075 20 0 BDADLO CN(CC1CCC1)c1nc[nH+]c(N)c1Cl ZINC000234273795 384034327 /nfs/dbraw/zinc/03/43/27/384034327.db2.gz NLSDZYAPBAJAJW-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO CN(CC1CCC1)c1[nH+]cnc(N)c1Cl ZINC000234273795 384034332 /nfs/dbraw/zinc/03/43/32/384034332.db2.gz NLSDZYAPBAJAJW-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO COC(=O)[C@@H](C)CSCc1[nH+]ccn1C ZINC000078828448 384085991 /nfs/dbraw/zinc/08/59/91/384085991.db2.gz GMLBFJNWAGGLRY-QMMMGPOBSA-N 1 2 228.317 1.462 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000076344877 384057000 /nfs/dbraw/zinc/05/70/00/384057000.db2.gz WMDGWQMVJRKVFR-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000076344877 384057006 /nfs/dbraw/zinc/05/70/06/384057006.db2.gz WMDGWQMVJRKVFR-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CCCCO1 ZINC000049947899 384070216 /nfs/dbraw/zinc/07/02/16/384070216.db2.gz KLDPMXBDIGIXSF-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CCCCO1 ZINC000049947899 384070226 /nfs/dbraw/zinc/07/02/26/384070226.db2.gz KLDPMXBDIGIXSF-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CC(C)N1CCC[C@H]([N@@H+]2CCOC[C@H]2C)C1=O ZINC000335886302 384075732 /nfs/dbraw/zinc/07/57/32/384075732.db2.gz DCJKDQCFASCGTP-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@H]([N@H+]2CCOC[C@H]2C)C1=O ZINC000335886302 384075736 /nfs/dbraw/zinc/07/57/36/384075736.db2.gz DCJKDQCFASCGTP-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403700136 384101535 /nfs/dbraw/zinc/10/15/35/384101535.db2.gz CEYQQUJGGAESFT-AEJSXWLSSA-N 1 2 219.288 1.462 20 0 BDADLO COCC1=CC[N@H+](CC(=O)OC(C)(C)C)CC1 ZINC000185809113 134390953 /nfs/dbraw/zinc/39/09/53/134390953.db2.gz UEEYYBWNKQSDSA-UHFFFAOYSA-N 1 2 241.331 1.607 20 0 BDADLO COCC1=CC[N@@H+](CC(=O)OC(C)(C)C)CC1 ZINC000185809113 134390955 /nfs/dbraw/zinc/39/09/55/134390955.db2.gz UEEYYBWNKQSDSA-UHFFFAOYSA-N 1 2 241.331 1.607 20 0 BDADLO CC(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082275834 384093250 /nfs/dbraw/zinc/09/32/50/384093250.db2.gz JSDPSKSCNTXGLD-LLVKDONJSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1nc(N2[C@@H](C)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000530484480 384124513 /nfs/dbraw/zinc/12/45/13/384124513.db2.gz MIYKJZDVRAFTPA-YUMQZZPRSA-N 1 2 221.308 1.233 20 0 BDADLO Cc1nc(N(C)C)nc(N2[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000530484480 384124519 /nfs/dbraw/zinc/12/45/19/384124519.db2.gz MIYKJZDVRAFTPA-YUMQZZPRSA-N 1 2 221.308 1.233 20 0 BDADLO Cc1nc(N2[C@H](C)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000530484478 384124921 /nfs/dbraw/zinc/12/49/21/384124921.db2.gz MIYKJZDVRAFTPA-HTQZYQBOSA-N 1 2 221.308 1.233 20 0 BDADLO Cc1nc(N(C)C)nc(N2[C@H](C)C[C@H]2C)[nH+]1 ZINC000530484478 384124926 /nfs/dbraw/zinc/12/49/26/384124926.db2.gz MIYKJZDVRAFTPA-HTQZYQBOSA-N 1 2 221.308 1.233 20 0 BDADLO Cc1noc(C2CC[NH+](Cc3c[nH]cn3)CC2)n1 ZINC000091835275 384147891 /nfs/dbraw/zinc/14/78/91/384147891.db2.gz SQSVZXNYTDWJJX-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1noc(C2CC[NH+](Cc3cnc[nH]3)CC2)n1 ZINC000091835275 384147894 /nfs/dbraw/zinc/14/78/94/384147894.db2.gz SQSVZXNYTDWJJX-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cncs1 ZINC000091950282 384154034 /nfs/dbraw/zinc/15/40/34/384154034.db2.gz OJHMBLWVNZSFEA-UHFFFAOYSA-N 1 2 227.333 1.231 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cncs1 ZINC000091950282 384154039 /nfs/dbraw/zinc/15/40/39/384154039.db2.gz OJHMBLWVNZSFEA-UHFFFAOYSA-N 1 2 227.333 1.231 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000530495301 384155382 /nfs/dbraw/zinc/15/53/82/384155382.db2.gz WHAMTCVDHKDKDW-XHVZSJERSA-N 1 2 241.331 1.485 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091896455 384155594 /nfs/dbraw/zinc/15/55/94/384155594.db2.gz QBUFZDUMSILKKV-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091896455 384155598 /nfs/dbraw/zinc/15/55/98/384155598.db2.gz QBUFZDUMSILKKV-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000560471046 384156095 /nfs/dbraw/zinc/15/60/95/384156095.db2.gz RUEMRCRHIXKOAH-QWRGUYRKSA-N 1 2 233.315 1.423 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000560471046 384156096 /nfs/dbraw/zinc/15/60/96/384156096.db2.gz RUEMRCRHIXKOAH-QWRGUYRKSA-N 1 2 233.315 1.423 20 0 BDADLO CC[N@H+](CCc1scnc1C)CC(=O)OC ZINC000050285539 384174042 /nfs/dbraw/zinc/17/40/42/384174042.db2.gz KJYIJYOPRPKEGM-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO CC[N@@H+](CCc1scnc1C)CC(=O)OC ZINC000050285539 384174045 /nfs/dbraw/zinc/17/40/45/384174045.db2.gz KJYIJYOPRPKEGM-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]2c2ccccc2)[nH]1 ZINC000092616748 384186046 /nfs/dbraw/zinc/18/60/46/384186046.db2.gz VEKKEINVIILIGK-LLVKDONJSA-N 1 2 244.298 1.435 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]2c2ccccc2)[nH]1 ZINC000092616748 384186048 /nfs/dbraw/zinc/18/60/48/384186048.db2.gz VEKKEINVIILIGK-LLVKDONJSA-N 1 2 244.298 1.435 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000560506379 384180346 /nfs/dbraw/zinc/18/03/46/384180346.db2.gz WGYNRVPOTRFPCW-YUMQZZPRSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000560506379 384180350 /nfs/dbraw/zinc/18/03/50/384180350.db2.gz WGYNRVPOTRFPCW-YUMQZZPRSA-N 1 2 213.281 1.406 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000092487295 384181733 /nfs/dbraw/zinc/18/17/33/384181733.db2.gz DZWKUFYFKJUHTJ-QWRGUYRKSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000092487295 384181738 /nfs/dbraw/zinc/18/17/38/384181738.db2.gz DZWKUFYFKJUHTJ-QWRGUYRKSA-N 1 2 239.315 1.771 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1C=CCC1 ZINC000071804657 384182566 /nfs/dbraw/zinc/18/25/66/384182566.db2.gz QZZHNYZFWYKVJL-NSHDSACASA-N 1 2 233.315 1.735 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1cnccn1 ZINC000092591748 384186449 /nfs/dbraw/zinc/18/64/49/384186449.db2.gz YPXLOJMEDZCUHB-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1cnccn1 ZINC000092591748 384186454 /nfs/dbraw/zinc/18/64/54/384186454.db2.gz YPXLOJMEDZCUHB-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO COCc1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000092852237 384197231 /nfs/dbraw/zinc/19/72/31/384197231.db2.gz UJPBKXXRAXTGOH-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CCCOCC1 ZINC000336620335 384241167 /nfs/dbraw/zinc/24/11/67/384241167.db2.gz HWLCXAUNMHXISK-UHFFFAOYSA-N 1 2 249.289 1.939 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000093084947 384209361 /nfs/dbraw/zinc/20/93/61/384209361.db2.gz LIQBQYDIZWRZDI-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000093084947 384209364 /nfs/dbraw/zinc/20/93/64/384209364.db2.gz LIQBQYDIZWRZDI-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC[C@H](C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000642700756 384228110 /nfs/dbraw/zinc/22/81/10/384228110.db2.gz RXXQUUPXGGFHDD-LLVKDONJSA-N 1 2 223.320 1.432 20 0 BDADLO CC[C@H](C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000642700756 384228116 /nfs/dbraw/zinc/22/81/16/384228116.db2.gz RXXQUUPXGGFHDD-LLVKDONJSA-N 1 2 223.320 1.432 20 0 BDADLO C[N@@H+](Cc1ccco1)C[C@@H](O)C(F)(F)F ZINC000082680102 384256748 /nfs/dbraw/zinc/25/67/48/384256748.db2.gz IHOFEPVQDSKRHC-MRVPVSSYSA-N 1 2 223.194 1.635 20 0 BDADLO C[N@H+](Cc1ccco1)C[C@@H](O)C(F)(F)F ZINC000082680102 384256751 /nfs/dbraw/zinc/25/67/51/384256751.db2.gz IHOFEPVQDSKRHC-MRVPVSSYSA-N 1 2 223.194 1.635 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCCO2)c(C)[nH+]1 ZINC000119342504 384261571 /nfs/dbraw/zinc/26/15/71/384261571.db2.gz ZHZXHLCLKSNBSN-LLVKDONJSA-N 1 2 220.272 1.816 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000093771850 384270082 /nfs/dbraw/zinc/27/00/82/384270082.db2.gz IFXPKFWPXKUPKI-LBPRGKRZSA-N 1 2 235.331 1.126 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000093771850 384270087 /nfs/dbraw/zinc/27/00/87/384270087.db2.gz IFXPKFWPXKUPKI-LBPRGKRZSA-N 1 2 235.331 1.126 20 0 BDADLO Cc1nc(N(C)Cc2cccs2)nc(N)[nH+]1 ZINC000304400567 384276331 /nfs/dbraw/zinc/27/63/31/384276331.db2.gz ATIXVCVHAKQLAD-UHFFFAOYSA-N 1 2 235.316 1.460 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2cccs2)[nH+]1 ZINC000304400567 384276340 /nfs/dbraw/zinc/27/63/40/384276340.db2.gz ATIXVCVHAKQLAD-UHFFFAOYSA-N 1 2 235.316 1.460 20 0 BDADLO C[N@@H+]1CCc2ncnc(N3CCC34CCC4)c2C1 ZINC000426897874 384304730 /nfs/dbraw/zinc/30/47/30/384304730.db2.gz JINKEBPOJLTHKG-UHFFFAOYSA-N 1 2 244.342 1.597 20 0 BDADLO C[N@H+]1CCc2ncnc(N3CCC34CCC4)c2C1 ZINC000426897874 384304735 /nfs/dbraw/zinc/30/47/35/384304735.db2.gz JINKEBPOJLTHKG-UHFFFAOYSA-N 1 2 244.342 1.597 20 0 BDADLO CC[N@H+](CCc1nccs1)CC(=O)OC ZINC000159160812 384306302 /nfs/dbraw/zinc/30/63/02/384306302.db2.gz OBAZUFJYLVJASD-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CC[N@@H+](CCc1nccs1)CC(=O)OC ZINC000159160812 384306310 /nfs/dbraw/zinc/30/63/10/384306310.db2.gz OBAZUFJYLVJASD-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO Cc1ccc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000560698821 384306375 /nfs/dbraw/zinc/30/63/75/384306375.db2.gz XUMJPDDVBLTYNY-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000560699784 384306749 /nfs/dbraw/zinc/30/67/49/384306749.db2.gz HZZRGWMIZHVHDW-SGIHWFKDSA-N 1 2 237.303 1.400 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000094687816 384309731 /nfs/dbraw/zinc/30/97/31/384309731.db2.gz XVLKOZZTDWKOPB-LBPRGKRZSA-N 1 2 235.283 1.530 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000094687816 384309736 /nfs/dbraw/zinc/30/97/36/384309736.db2.gz XVLKOZZTDWKOPB-LBPRGKRZSA-N 1 2 235.283 1.530 20 0 BDADLO O=C1OC[C@@H]2C[N@H+](Cc3cccc(O)c3)CCN12 ZINC000378347540 384310647 /nfs/dbraw/zinc/31/06/47/384310647.db2.gz VRNGCRTUSJXFHE-NSHDSACASA-N 1 2 248.282 1.029 20 0 BDADLO O=C1OC[C@@H]2C[N@@H+](Cc3cccc(O)c3)CCN12 ZINC000378347540 384310653 /nfs/dbraw/zinc/31/06/53/384310653.db2.gz VRNGCRTUSJXFHE-NSHDSACASA-N 1 2 248.282 1.029 20 0 BDADLO Cc1nc(N2CCC[C@H]2C(C)C)nc(N)[nH+]1 ZINC000304448826 384311517 /nfs/dbraw/zinc/31/15/17/384311517.db2.gz JPFRRPSEGHZTMO-VIFPVBQESA-N 1 2 221.308 1.387 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H]2C(C)C)[nH+]1 ZINC000304448826 384311524 /nfs/dbraw/zinc/31/15/24/384311524.db2.gz JPFRRPSEGHZTMO-VIFPVBQESA-N 1 2 221.308 1.387 20 0 BDADLO Cc1nocc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000624552928 384293678 /nfs/dbraw/zinc/29/36/78/384293678.db2.gz BMTUEDYPNPKMPL-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO Cc1nc(CNc2nc(C)[nH+]c(N)n2)cs1 ZINC000304439081 384299074 /nfs/dbraw/zinc/29/90/74/384299074.db2.gz HQOBZIJTWIQVRR-UHFFFAOYSA-N 1 2 236.304 1.139 20 0 BDADLO Cc1nc(CNc2nc(N)nc(C)[nH+]2)cs1 ZINC000304439081 384299078 /nfs/dbraw/zinc/29/90/78/384299078.db2.gz HQOBZIJTWIQVRR-UHFFFAOYSA-N 1 2 236.304 1.139 20 0 BDADLO c1ccc(N2CCCC3(C2)OCCO3)[nH+]c1 ZINC000134215744 384339721 /nfs/dbraw/zinc/33/97/21/384339721.db2.gz WBIJRNYCNBNYLE-UHFFFAOYSA-N 1 2 220.272 1.425 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558867214 384348192 /nfs/dbraw/zinc/34/81/92/384348192.db2.gz LAERMKFERHKPPP-DTWKUNHWSA-N 1 2 249.257 1.252 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558867214 384348198 /nfs/dbraw/zinc/34/81/98/384348198.db2.gz LAERMKFERHKPPP-DTWKUNHWSA-N 1 2 249.257 1.252 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC1(C)C ZINC000357797038 384352314 /nfs/dbraw/zinc/35/23/14/384352314.db2.gz IXHIGVHKHOIXEQ-SECBINFHSA-N 1 2 236.319 1.265 20 0 BDADLO CCc1ncnc(NCCc2cn(C)c[nH+]2)c1F ZINC000313473795 384410110 /nfs/dbraw/zinc/41/01/10/384410110.db2.gz PSUBBDVDXOPPDS-UHFFFAOYSA-N 1 2 249.293 1.566 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1nccs1 ZINC000175066031 384390785 /nfs/dbraw/zinc/39/07/85/384390785.db2.gz ZDQBONWELHWPIR-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cc(F)ccc1O ZINC000147683053 384452029 /nfs/dbraw/zinc/45/20/29/384452029.db2.gz GKMFMRAXLZJRCB-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc(F)ccc1O ZINC000147690703 384453290 /nfs/dbraw/zinc/45/32/90/384453290.db2.gz PNWMSASRVHHMCD-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO CCO[C@@H]1C[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000357941368 384453836 /nfs/dbraw/zinc/45/38/36/384453836.db2.gz YPCSSKBDBLVGAH-VHSXEESVSA-N 1 2 248.286 1.286 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)OCC(C)C)cc[nH+]1 ZINC000521388281 384442606 /nfs/dbraw/zinc/44/26/06/384442606.db2.gz AVZXAZJRLCPKDV-NSHDSACASA-N 1 2 236.315 1.812 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1ccon1 ZINC000121873412 384442838 /nfs/dbraw/zinc/44/28/38/384442838.db2.gz MLMIGOBLQYPPCT-UHFFFAOYSA-N 1 2 210.277 1.533 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1ccon1 ZINC000121873412 384442843 /nfs/dbraw/zinc/44/28/43/384442843.db2.gz MLMIGOBLQYPPCT-UHFFFAOYSA-N 1 2 210.277 1.533 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102409810 384459846 /nfs/dbraw/zinc/45/98/46/384459846.db2.gz IQKKAMHRVLCLCH-GFCCVEGCSA-N 1 2 245.330 1.454 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102409810 384459852 /nfs/dbraw/zinc/45/98/52/384459852.db2.gz IQKKAMHRVLCLCH-GFCCVEGCSA-N 1 2 245.330 1.454 20 0 BDADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)ccc1O ZINC000148540504 384469226 /nfs/dbraw/zinc/46/92/26/384469226.db2.gz VQCJGLYWHZPXLC-UHFFFAOYSA-N 1 2 245.282 1.926 20 0 BDADLO Nc1ccc(NC(=O)c2n[nH]c3c2CCC3)c[nH+]1 ZINC000238041077 384474872 /nfs/dbraw/zinc/47/48/72/384474872.db2.gz UPDFDSDYJCBTEZ-UHFFFAOYSA-N 1 2 243.270 1.128 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ncccc2O)C1 ZINC000561084043 384483712 /nfs/dbraw/zinc/48/37/12/384483712.db2.gz UHDWABQMQMWPGU-UHFFFAOYSA-N 1 2 235.287 1.068 20 0 BDADLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000561108182 384503170 /nfs/dbraw/zinc/50/31/70/384503170.db2.gz QXTQMZCNLROUIO-LLVKDONJSA-N 1 2 248.326 1.974 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncnn1C)c1ccco1 ZINC000276747477 384514392 /nfs/dbraw/zinc/51/43/92/384514392.db2.gz ZVDNUFGLRCQYFB-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCC1 ZINC000122861196 384516702 /nfs/dbraw/zinc/51/67/02/384516702.db2.gz VYOGAJGBQSLGFW-VIFPVBQESA-N 1 2 222.292 1.123 20 0 BDADLO O=C1CCCN1CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000556852945 384530662 /nfs/dbraw/zinc/53/06/62/384530662.db2.gz BTJLEVRTDVDSLG-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO O=C1CCCN1CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000556852945 384530670 /nfs/dbraw/zinc/53/06/70/384530670.db2.gz BTJLEVRTDVDSLG-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC=CCC1 ZINC000080120529 384532146 /nfs/dbraw/zinc/53/21/46/384532146.db2.gz QDGOUHQBPFRJNK-VIFPVBQESA-N 1 2 229.287 1.884 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000123270109 384546501 /nfs/dbraw/zinc/54/65/01/384546501.db2.gz WXWGRWJAUIYNGQ-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000123270109 384546507 /nfs/dbraw/zinc/54/65/07/384546507.db2.gz WXWGRWJAUIYNGQ-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000184002974 384549278 /nfs/dbraw/zinc/54/92/78/384549278.db2.gz SYKMQZOSBXQNCP-QMMMGPOBSA-N 1 2 228.317 1.351 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000184002974 384549285 /nfs/dbraw/zinc/54/92/85/384549285.db2.gz SYKMQZOSBXQNCP-QMMMGPOBSA-N 1 2 228.317 1.351 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)no1 ZINC000151250692 384556511 /nfs/dbraw/zinc/55/65/11/384556511.db2.gz AIGXANBOQSWXCO-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO c1[nH]cc(CCc2nc([C@@H]3CCCOC3)no2)[nH+]1 ZINC000643845639 384539976 /nfs/dbraw/zinc/53/99/76/384539976.db2.gz CALFBZQXBFJUAT-SECBINFHSA-N 1 2 248.286 1.472 20 0 BDADLO c1[nH]c(CCc2nc([C@@H]3CCCOC3)no2)c[nH+]1 ZINC000643845639 384539986 /nfs/dbraw/zinc/53/99/86/384539986.db2.gz CALFBZQXBFJUAT-SECBINFHSA-N 1 2 248.286 1.472 20 0 BDADLO CNC(=O)CC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000080613002 384568384 /nfs/dbraw/zinc/56/83/84/384568384.db2.gz SHIYMSWYUBAXJU-UHFFFAOYSA-N 1 2 248.330 1.138 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C)C[C@@H]1CCCO1 ZINC000171351569 384573092 /nfs/dbraw/zinc/57/30/92/384573092.db2.gz KEFBVOVXLXNKFR-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C)C[C@@H]1CCCO1 ZINC000171351569 384573103 /nfs/dbraw/zinc/57/31/03/384573103.db2.gz KEFBVOVXLXNKFR-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CN(C)c1cc[nH+]cc1C(=O)NN1CCCCC1 ZINC000184163067 384576526 /nfs/dbraw/zinc/57/65/26/384576526.db2.gz HSBFTEBYIAKETN-UHFFFAOYSA-N 1 2 248.330 1.278 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H](O)c1ccccc1 ZINC000049947645 384579165 /nfs/dbraw/zinc/57/91/65/384579165.db2.gz FUAWQUGHHATVDA-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H](O)c1ccccc1 ZINC000049947645 384579175 /nfs/dbraw/zinc/57/91/75/384579175.db2.gz FUAWQUGHHATVDA-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C)C1 ZINC000569621549 384580640 /nfs/dbraw/zinc/58/06/40/384580640.db2.gz PLQCXMJBVMJJFD-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C)C1 ZINC000569621549 384580645 /nfs/dbraw/zinc/58/06/45/384580645.db2.gz PLQCXMJBVMJJFD-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1nsc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000271307200 384587285 /nfs/dbraw/zinc/58/72/85/384587285.db2.gz LOKNAIJIEJOYDM-QMMMGPOBSA-N 1 2 237.332 1.791 20 0 BDADLO CC(C)Cn1nccc1C[NH2+]Cc1cocn1 ZINC000647181805 384565625 /nfs/dbraw/zinc/56/56/25/384565625.db2.gz SLFHZNQXKMZMRG-UHFFFAOYSA-N 1 2 234.303 1.817 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nnnn1C ZINC000357775860 384603495 /nfs/dbraw/zinc/60/34/95/384603495.db2.gz RINFUSVHGBRAHT-SNVBAGLBSA-N 1 2 243.314 1.157 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1nnnn1C ZINC000357775860 384603503 /nfs/dbraw/zinc/60/35/03/384603503.db2.gz RINFUSVHGBRAHT-SNVBAGLBSA-N 1 2 243.314 1.157 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000172878760 384632626 /nfs/dbraw/zinc/63/26/26/384632626.db2.gz PIUSGEQVQYVTAH-ZDUSSCGKSA-N 1 2 239.290 1.673 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000172878760 384632635 /nfs/dbraw/zinc/63/26/35/384632635.db2.gz PIUSGEQVQYVTAH-ZDUSSCGKSA-N 1 2 239.290 1.673 20 0 BDADLO C[N@H+](CCC(=O)N1CCCCC1)CC(F)F ZINC000103488255 384632734 /nfs/dbraw/zinc/63/27/34/384632734.db2.gz FQURBCCVZRNIID-UHFFFAOYSA-N 1 2 234.290 1.586 20 0 BDADLO Cc1nnc([C@@H](C)Nc2nc(C)[nH+]cc2C)[nH]1 ZINC000568247953 384608810 /nfs/dbraw/zinc/60/88/10/384608810.db2.gz CCFXKUCXWLAMBY-SSDOTTSWSA-N 1 2 232.291 1.115 20 0 BDADLO C[N@@H+](CCC(=O)N1CCCCC1)CC(F)F ZINC000103488255 384632742 /nfs/dbraw/zinc/63/27/42/384632742.db2.gz FQURBCCVZRNIID-UHFFFAOYSA-N 1 2 234.290 1.586 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)CC(=O)N(C)C)s1 ZINC000172736311 384622680 /nfs/dbraw/zinc/62/26/80/384622680.db2.gz WSLDPGSWKPTTCH-UHFFFAOYSA-N 1 2 241.360 1.280 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)CC(=O)N(C)C)s1 ZINC000172736311 384622688 /nfs/dbraw/zinc/62/26/88/384622688.db2.gz WSLDPGSWKPTTCH-UHFFFAOYSA-N 1 2 241.360 1.280 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ncnn1C ZINC000172717123 384622932 /nfs/dbraw/zinc/62/29/32/384622932.db2.gz SLXZKAIJNBWQMR-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ncnn1C ZINC000172717123 384622938 /nfs/dbraw/zinc/62/29/38/384622938.db2.gz SLXZKAIJNBWQMR-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO Nc1[nH+]cnc(N2CCC[C@H]2CF)c1Cl ZINC000294285789 384623710 /nfs/dbraw/zinc/62/37/10/384623710.db2.gz XXDUIADHABZRPI-LURJTMIESA-N 1 2 230.674 1.651 20 0 BDADLO FC1(F)COCC[N@H+](C[C@H]2CCSC2)C1 ZINC000334582279 384591665 /nfs/dbraw/zinc/59/16/65/384591665.db2.gz HVEKRBNZJKKSBL-SECBINFHSA-N 1 2 237.315 1.707 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000334582279 384591674 /nfs/dbraw/zinc/59/16/74/384591674.db2.gz HVEKRBNZJKKSBL-SECBINFHSA-N 1 2 237.315 1.707 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000151557121 384593679 /nfs/dbraw/zinc/59/36/79/384593679.db2.gz YJHSIDDVEPRDIO-VHSXEESVSA-N 1 2 248.330 1.666 20 0 BDADLO CC1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000309771761 384595203 /nfs/dbraw/zinc/59/52/03/384595203.db2.gz KPVAAJPVPGBAPL-UHFFFAOYSA-N 1 2 219.288 1.410 20 0 BDADLO Cc1nc(N2CCC[C@@H](c3nnc[nH]3)C2)cc[nH+]1 ZINC000363598911 384647313 /nfs/dbraw/zinc/64/73/13/384647313.db2.gz FMOYEQVVJSFYNE-SNVBAGLBSA-N 1 2 244.302 1.287 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000184787874 384650892 /nfs/dbraw/zinc/65/08/92/384650892.db2.gz PZZQACPTWVALED-VXGBXAGGSA-N 1 2 235.331 1.682 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1ccccn1 ZINC000082270708 384657724 /nfs/dbraw/zinc/65/77/24/384657724.db2.gz IEUKANUFPDVYOD-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCCc1c[nH+]cn1C ZINC000518083542 384657777 /nfs/dbraw/zinc/65/77/77/384657777.db2.gz UCICNKJJEMSBKL-BXUZGUMPSA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)c1cc(C(=O)NCCc2[nH]cc[nH+]2)[nH]n1 ZINC000171756550 384660988 /nfs/dbraw/zinc/66/09/88/384660988.db2.gz CXABMVQLSYQOJJ-UHFFFAOYSA-N 1 2 247.302 1.229 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000566140661 384723239 /nfs/dbraw/zinc/72/32/39/384723239.db2.gz QIOGHTLGKTXKKZ-ZJUUUORDSA-N 1 2 246.314 1.050 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000102671591 384723686 /nfs/dbraw/zinc/72/36/86/384723686.db2.gz RLKDUPHZMDFXSO-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000102671591 384723690 /nfs/dbraw/zinc/72/36/90/384723690.db2.gz RLKDUPHZMDFXSO-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919803 384724602 /nfs/dbraw/zinc/72/46/02/384724602.db2.gz GOHQGDKPHZDDFL-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919803 384724607 /nfs/dbraw/zinc/72/46/07/384724607.db2.gz GOHQGDKPHZDDFL-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919803 384724615 /nfs/dbraw/zinc/72/46/15/384724615.db2.gz GOHQGDKPHZDDFL-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919803 384724622 /nfs/dbraw/zinc/72/46/22/384724622.db2.gz GOHQGDKPHZDDFL-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919803 384724627 /nfs/dbraw/zinc/72/46/27/384724627.db2.gz GOHQGDKPHZDDFL-NSHDSACASA-N 1 2 229.287 1.189 20 0 BDADLO OC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000048582909 384676720 /nfs/dbraw/zinc/67/67/20/384676720.db2.gz FTRMHAHPTIPIOK-UHFFFAOYSA-N 1 2 231.299 1.520 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000556957262 384681620 /nfs/dbraw/zinc/68/16/20/384681620.db2.gz KFJRTJISMABIEV-MFKMUULPSA-N 1 2 236.290 1.431 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000556957262 384681624 /nfs/dbraw/zinc/68/16/24/384681624.db2.gz KFJRTJISMABIEV-MFKMUULPSA-N 1 2 236.290 1.431 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051669795 384701842 /nfs/dbraw/zinc/70/18/42/384701842.db2.gz XWOQVHFAJDHJQQ-LLVKDONJSA-N 1 2 221.300 1.689 20 0 BDADLO Cc1cc(N2CCO[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000368048950 384705021 /nfs/dbraw/zinc/70/50/21/384705021.db2.gz ZNVLPJNMLHWZKF-WDEREUQCSA-N 1 2 231.299 1.640 20 0 BDADLO COC[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000309915614 384709623 /nfs/dbraw/zinc/70/96/23/384709623.db2.gz PGWMVZPIQFELAH-VIFPVBQESA-N 1 2 225.292 1.019 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000162851089 384711330 /nfs/dbraw/zinc/71/13/30/384711330.db2.gz MYNSXBCILJVDBY-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000162851089 384711341 /nfs/dbraw/zinc/71/13/41/384711341.db2.gz MYNSXBCILJVDBY-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CN(c1cc(CO)cc[nH+]1)[C@H]1CCCOC1 ZINC000401501803 384727759 /nfs/dbraw/zinc/72/77/59/384727759.db2.gz HQXQDBQNXYSBLP-NSHDSACASA-N 1 2 222.288 1.189 20 0 BDADLO C[C@H]([NH2+]CCO)c1nc(Cc2ccccc2)no1 ZINC000185415737 384718623 /nfs/dbraw/zinc/71/86/23/384718623.db2.gz HTCNCKSRIDNEOG-JTQLQIEISA-N 1 2 247.298 1.303 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000566140659 384718600 /nfs/dbraw/zinc/71/86/00/384718600.db2.gz QIOGHTLGKTXKKZ-UWVGGRQHSA-N 1 2 246.314 1.050 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000052131553 384718754 /nfs/dbraw/zinc/71/87/54/384718754.db2.gz MEACEHWZDXAHIZ-UHFFFAOYSA-N 1 2 243.253 1.960 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000052131553 384718761 /nfs/dbraw/zinc/71/87/61/384718761.db2.gz MEACEHWZDXAHIZ-UHFFFAOYSA-N 1 2 243.253 1.960 20 0 BDADLO C[C@H]1CC[C@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC000173783557 384720846 /nfs/dbraw/zinc/72/08/46/384720846.db2.gz WLDHNXWURSHSDF-UWVGGRQHSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H](CCCO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363721228 384735850 /nfs/dbraw/zinc/73/58/50/384735850.db2.gz JSYAYECQHLTVDQ-NSHDSACASA-N 1 2 246.314 1.262 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000044478788 384738344 /nfs/dbraw/zinc/73/83/44/384738344.db2.gz HEMCUXKHWDPZLF-BDAKNGLRSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000044478788 384738346 /nfs/dbraw/zinc/73/83/46/384738346.db2.gz HEMCUXKHWDPZLF-BDAKNGLRSA-N 1 2 215.293 1.047 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000309696742 384740611 /nfs/dbraw/zinc/74/06/11/384740611.db2.gz LGNCJYXXOASWPD-BDAKNGLRSA-N 1 2 225.292 1.240 20 0 BDADLO Nc1ccc(NC(=O)C[C@@H]2CCCO2)c[nH+]1 ZINC000083524498 384779436 /nfs/dbraw/zinc/77/94/36/384779436.db2.gz MOVXPTXNMLXWLP-VIFPVBQESA-N 1 2 221.260 1.171 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2CC(=O)N(C)C2)c1Cl ZINC000309965645 384745380 /nfs/dbraw/zinc/74/53/80/384745380.db2.gz NHNHCUTUIKZHJP-MRVPVSSYSA-N 1 2 239.706 1.686 20 0 BDADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(N)=O ZINC000058552293 384752343 /nfs/dbraw/zinc/75/23/43/384752343.db2.gz JQECCGHVUAXIKF-ZWNOBZJWSA-N 1 2 244.294 1.832 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000335457927 384779832 /nfs/dbraw/zinc/77/98/32/384779832.db2.gz GKUURWTZSWOHEI-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000335457927 384779835 /nfs/dbraw/zinc/77/98/35/384779835.db2.gz GKUURWTZSWOHEI-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ccc(F)cn1 ZINC000647193401 384754590 /nfs/dbraw/zinc/75/45/90/384754590.db2.gz XSMSGSMFKZGJRW-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000309982578 384761575 /nfs/dbraw/zinc/76/15/75/384761575.db2.gz HYGJWOGYZSYHPW-ZJUUUORDSA-N 1 2 239.319 1.223 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000309982578 384761581 /nfs/dbraw/zinc/76/15/81/384761581.db2.gz HYGJWOGYZSYHPW-ZJUUUORDSA-N 1 2 239.319 1.223 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000082797679 384769639 /nfs/dbraw/zinc/76/96/39/384769639.db2.gz RZYDDFXAQWBDJC-JTQLQIEISA-N 1 2 219.284 1.606 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000082797679 384769647 /nfs/dbraw/zinc/76/96/47/384769647.db2.gz RZYDDFXAQWBDJC-JTQLQIEISA-N 1 2 219.284 1.606 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H](COC)C(C)C ZINC000083400085 384770418 /nfs/dbraw/zinc/77/04/18/384770418.db2.gz QWBHWINACVRJAH-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO CCc1cc(N)nc(SCc2ccno2)[nH+]1 ZINC000279068636 384772778 /nfs/dbraw/zinc/77/27/78/384772778.db2.gz JVBKHHKCTRPLFM-UHFFFAOYSA-N 1 2 236.300 1.902 20 0 BDADLO CCN(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000104291826 384817817 /nfs/dbraw/zinc/81/78/17/384817817.db2.gz GTPBFJLATKEQTL-UHFFFAOYSA-N 1 2 244.298 1.749 20 0 BDADLO C[C@H](CCc1ccco1)[NH2+]CC(F)(F)CN ZINC000564827834 384821524 /nfs/dbraw/zinc/82/15/24/384821524.db2.gz PRXPSLNEBAKISZ-SECBINFHSA-N 1 2 232.274 1.784 20 0 BDADLO CCC[C@H]([NH2+]Cc1ncn(C)n1)c1cccnc1 ZINC000186213958 384828471 /nfs/dbraw/zinc/82/84/71/384828471.db2.gz OVCNYLXYVNNHLC-LBPRGKRZSA-N 1 2 245.330 1.841 20 0 BDADLO CC[C@H]1C[C@@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000310012237 384783099 /nfs/dbraw/zinc/78/30/99/384783099.db2.gz JANIAXSKUPDETQ-IUCAKERBSA-N 1 2 221.308 1.456 20 0 BDADLO CC[C@H]1C[C@@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000310012237 384783106 /nfs/dbraw/zinc/78/31/06/384783106.db2.gz JANIAXSKUPDETQ-IUCAKERBSA-N 1 2 221.308 1.456 20 0 BDADLO c1ccc(NCCOc2cccnc2)[nH+]c1 ZINC000301290647 384873330 /nfs/dbraw/zinc/87/33/30/384873330.db2.gz QECVOEGDJJNQDR-UHFFFAOYSA-N 1 2 215.256 1.968 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000644421404 384874804 /nfs/dbraw/zinc/87/48/04/384874804.db2.gz IJMPAAHDRJEXQR-CBAPKCEASA-N 1 2 249.236 1.345 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCOC1)C(=O)OCC ZINC000147644637 384847121 /nfs/dbraw/zinc/84/71/21/384847121.db2.gz WYCKLWDHMCACHJ-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2ccsc2C1 ZINC000127045816 384857948 /nfs/dbraw/zinc/85/79/48/384857948.db2.gz ZPEBUAIYKDSNTB-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2ccsc2C1 ZINC000127045816 384857956 /nfs/dbraw/zinc/85/79/56/384857956.db2.gz ZPEBUAIYKDSNTB-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000112552567 384859549 /nfs/dbraw/zinc/85/95/49/384859549.db2.gz IXAIIMUNGFXWJG-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000112552567 384859555 /nfs/dbraw/zinc/85/95/55/384859555.db2.gz IXAIIMUNGFXWJG-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO CCCc1nc(C[N@H+](CCO)[C@@H](C)CC)no1 ZINC000310165651 384864573 /nfs/dbraw/zinc/86/45/73/384864573.db2.gz JUHQGIZQFOVGSZ-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCc1nc(C[N@@H+](CCO)[C@@H](C)CC)no1 ZINC000310165651 384864579 /nfs/dbraw/zinc/86/45/79/384864579.db2.gz JUHQGIZQFOVGSZ-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000055052380 384865069 /nfs/dbraw/zinc/86/50/69/384865069.db2.gz JPEOTDOXNUWDDP-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000055052380 384865078 /nfs/dbraw/zinc/86/50/78/384865078.db2.gz JPEOTDOXNUWDDP-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO CO[C@@H](C)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000364073322 384949222 /nfs/dbraw/zinc/94/92/22/384949222.db2.gz PFOQBLKUADZESO-JTQLQIEISA-N 1 2 232.287 1.136 20 0 BDADLO O=C1CC[N@H+](Cc2ccc(F)cc2F)CCN1 ZINC000084862227 384901527 /nfs/dbraw/zinc/90/15/27/384901527.db2.gz OYUSXHZGKPGCLG-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc(F)cc2F)CCN1 ZINC000084862227 384901536 /nfs/dbraw/zinc/90/15/36/384901536.db2.gz OYUSXHZGKPGCLG-UHFFFAOYSA-N 1 2 240.253 1.287 20 0 BDADLO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCOC1 ZINC000635765789 384907889 /nfs/dbraw/zinc/90/78/89/384907889.db2.gz OZOLTMUBQXBRAY-BREBYQMCSA-N 1 2 249.314 1.199 20 0 BDADLO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCOC1 ZINC000635765789 384907895 /nfs/dbraw/zinc/90/78/95/384907895.db2.gz OZOLTMUBQXBRAY-BREBYQMCSA-N 1 2 249.314 1.199 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc(CO)c1 ZINC000085168583 384926143 /nfs/dbraw/zinc/92/61/43/384926143.db2.gz KVQBOUXXUMBVHO-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1C/C=C/Cl ZINC000187329099 384933663 /nfs/dbraw/zinc/93/36/63/384933663.db2.gz FRYMEHGHRPVCTD-MALLOTDXSA-N 1 2 230.739 1.730 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000187329099 384933671 /nfs/dbraw/zinc/93/36/71/384933671.db2.gz FRYMEHGHRPVCTD-MALLOTDXSA-N 1 2 230.739 1.730 20 0 BDADLO C[N@H+](Cc1cccs1)Cc1nccc(N)n1 ZINC000258764266 384944532 /nfs/dbraw/zinc/94/45/32/384944532.db2.gz PUCCMIOXUXZCBG-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO C[N@@H+](Cc1cccs1)Cc1nccc(N)n1 ZINC000258764266 384944538 /nfs/dbraw/zinc/94/45/38/384944538.db2.gz PUCCMIOXUXZCBG-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO Cc1c(NCc2[nH+]ccn2C)n[nH]c1C(C)C ZINC000647240717 384948209 /nfs/dbraw/zinc/94/82/09/384948209.db2.gz JGPQSTKBLKJOAR-UHFFFAOYSA-N 1 2 233.319 1.609 20 0 BDADLO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000312974945 384972640 /nfs/dbraw/zinc/97/26/40/384972640.db2.gz DUZXKHSUFWHDGB-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000312974945 384972646 /nfs/dbraw/zinc/97/26/46/384972646.db2.gz DUZXKHSUFWHDGB-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1ccoc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000518351562 384974397 /nfs/dbraw/zinc/97/43/97/384974397.db2.gz APELQHRPDBYAKL-UHFFFAOYSA-N 1 2 233.271 1.443 20 0 BDADLO CN(C)c1ccc(NCC2=CCCOC2)[nH+]c1 ZINC000127991184 384976203 /nfs/dbraw/zinc/97/62/03/384976203.db2.gz SVYJOEALUWKGCV-UHFFFAOYSA-N 1 2 233.315 1.906 20 0 BDADLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN12 ZINC000175890085 384977109 /nfs/dbraw/zinc/97/71/09/384977109.db2.gz ZWPUCDCISHZTBP-GFCCVEGCSA-N 1 2 249.289 1.035 20 0 BDADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN12 ZINC000175890085 384977118 /nfs/dbraw/zinc/97/71/18/384977118.db2.gz ZWPUCDCISHZTBP-GFCCVEGCSA-N 1 2 249.289 1.035 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000261326511 384977994 /nfs/dbraw/zinc/97/79/94/384977994.db2.gz QBWPIXJZYQTBHP-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000261326511 384977999 /nfs/dbraw/zinc/97/79/99/384977999.db2.gz QBWPIXJZYQTBHP-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccccc1 ZINC000491476804 384978639 /nfs/dbraw/zinc/97/86/39/384978639.db2.gz CFCMBHXTWWUOOE-FPLPWBNLSA-N 1 2 241.294 1.750 20 0 BDADLO Cn1cc[nH+]c1[C@H](NCC(F)(F)CO)C1CC1 ZINC000187784638 384979302 /nfs/dbraw/zinc/97/93/02/384979302.db2.gz AVXOWAWXHHEVGL-SECBINFHSA-N 1 2 245.273 1.088 20 0 BDADLO C[C@@H](CO)SCc1ccc(-n2cc[nH+]c2)nc1 ZINC000175942110 384985844 /nfs/dbraw/zinc/98/58/44/384985844.db2.gz VVCNTNMHWUIBID-JTQLQIEISA-N 1 2 249.339 1.881 20 0 BDADLO O=C1O[C@@H](Cn2cc[nH+]c2)CC12CCC2 ZINC000188134468 385018230 /nfs/dbraw/zinc/01/82/30/385018230.db2.gz JYBQUNJFMWQBCQ-SECBINFHSA-N 1 2 206.245 1.369 20 0 BDADLO O=C1O[C@H](Cn2cc[nH+]c2)CC12CCC2 ZINC000188134443 385018486 /nfs/dbraw/zinc/01/84/86/385018486.db2.gz JYBQUNJFMWQBCQ-VIFPVBQESA-N 1 2 206.245 1.369 20 0 BDADLO CCO[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107291713 384962254 /nfs/dbraw/zinc/96/22/54/384962254.db2.gz NTUDPUPKYWUOSI-SECBINFHSA-N 1 2 208.261 1.754 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COCC1CC1 ZINC000107289407 384962886 /nfs/dbraw/zinc/96/28/86/384962886.db2.gz CEQZMIVQVXLDED-UHFFFAOYSA-N 1 2 220.272 1.755 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)c1cccs1 ZINC000164320094 384963556 /nfs/dbraw/zinc/96/35/56/384963556.db2.gz YKCLMSXOAZQMPS-NSHDSACASA-N 1 2 237.328 1.469 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000059600395 385051316 /nfs/dbraw/zinc/05/13/16/385051316.db2.gz ZQJFISIPDLKTHS-ZDUSSCGKSA-N 1 2 248.326 1.652 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1CCc1ccccn1 ZINC000059600395 385051324 /nfs/dbraw/zinc/05/13/24/385051324.db2.gz ZQJFISIPDLKTHS-ZDUSSCGKSA-N 1 2 248.326 1.652 20 0 BDADLO O=C(CCC(F)(F)F)NCCc1[nH]cc[nH+]1 ZINC000128729482 385067343 /nfs/dbraw/zinc/06/73/43/385067343.db2.gz PEZXANWQGCIHDS-UHFFFAOYSA-N 1 2 235.209 1.411 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000334141538 385028671 /nfs/dbraw/zinc/02/86/71/385028671.db2.gz KSMUSQKPDVVIAC-UHFFFAOYSA-N 1 2 235.331 1.423 20 0 BDADLO Cn1ccnc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000334141538 385028678 /nfs/dbraw/zinc/02/86/78/385028678.db2.gz KSMUSQKPDVVIAC-UHFFFAOYSA-N 1 2 235.331 1.423 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](CO)C2)no1 ZINC000051887148 385029626 /nfs/dbraw/zinc/02/96/26/385029626.db2.gz ZQHQGRFDNFIJIY-VIFPVBQESA-N 1 2 225.292 1.007 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](CO)C2)no1 ZINC000051887148 385029633 /nfs/dbraw/zinc/02/96/33/385029633.db2.gz ZQHQGRFDNFIJIY-VIFPVBQESA-N 1 2 225.292 1.007 20 0 BDADLO CC(=O)c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000030954255 385030505 /nfs/dbraw/zinc/03/05/05/385030505.db2.gz WRIOVLMJXCVGCS-UHFFFAOYSA-N 1 2 246.310 1.277 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)n2cncn2)c(C)[nH+]1 ZINC000176205042 385040020 /nfs/dbraw/zinc/04/00/20/385040020.db2.gz FDHIOALPAOMRIQ-SNVBAGLBSA-N 1 2 245.286 1.490 20 0 BDADLO OCCC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000401035087 385042833 /nfs/dbraw/zinc/04/28/33/385042833.db2.gz MRYJNZXKNWNMAY-UHFFFAOYSA-N 1 2 236.315 1.173 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C(=O)OC ZINC000308738693 385046491 /nfs/dbraw/zinc/04/64/91/385046491.db2.gz NBPBRGZINCRPDO-HLTSFMKQSA-N 1 2 203.257 1.418 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2nc(C)no2)C1 ZINC000408210023 385047252 /nfs/dbraw/zinc/04/72/52/385047252.db2.gz XMHUPXFQBHMZMN-LBPRGKRZSA-N 1 2 239.319 1.363 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000408210023 385047258 /nfs/dbraw/zinc/04/72/58/385047258.db2.gz XMHUPXFQBHMZMN-LBPRGKRZSA-N 1 2 239.319 1.363 20 0 BDADLO C(c1noc(C2CC2)n1)[NH+]1CCCCC1 ZINC000064931337 385122438 /nfs/dbraw/zinc/12/24/38/385122438.db2.gz UEORKCAPRGDKTI-UHFFFAOYSA-N 1 2 207.277 1.933 20 0 BDADLO Nc1ccc(NC(=O)COCC2CC2)c[nH+]1 ZINC000151701366 385128002 /nfs/dbraw/zinc/12/80/02/385128002.db2.gz ALBKITDSODBXIN-UHFFFAOYSA-N 1 2 221.260 1.029 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@H](O)C(C)(C)C1 ZINC000279441448 385129654 /nfs/dbraw/zinc/12/96/54/385129654.db2.gz LNTVLKUCNQCAFN-LBPRGKRZSA-N 1 2 245.326 1.780 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000530882118 385131251 /nfs/dbraw/zinc/13/12/51/385131251.db2.gz JNOXSKOODOKZCS-SECBINFHSA-N 1 2 225.292 1.087 20 0 BDADLO C[C@H](O)CCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000176676406 385132752 /nfs/dbraw/zinc/13/27/52/385132752.db2.gz WPJNJUXRRIVSAL-JTQLQIEISA-N 1 2 247.298 1.177 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)Cc1cccs1 ZINC000061779556 385139062 /nfs/dbraw/zinc/13/90/62/385139062.db2.gz GWPQWPCFIOAXTL-UHFFFAOYSA-N 1 2 233.358 1.225 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)Cc1cccs1 ZINC000061779556 385139066 /nfs/dbraw/zinc/13/90/66/385139066.db2.gz GWPQWPCFIOAXTL-UHFFFAOYSA-N 1 2 233.358 1.225 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOC(C)(C)C2)[nH]1 ZINC000644668956 385087692 /nfs/dbraw/zinc/08/76/92/385087692.db2.gz XGQUTPGHUZAWOY-UHFFFAOYSA-N 1 2 224.308 1.114 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOC(C)(C)C2)[nH]1 ZINC000644668956 385087695 /nfs/dbraw/zinc/08/76/95/385087695.db2.gz XGQUTPGHUZAWOY-UHFFFAOYSA-N 1 2 224.308 1.114 20 0 BDADLO CC(C)(CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000340584490 385090893 /nfs/dbraw/zinc/09/08/93/385090893.db2.gz NUMXYOKRRNXHNU-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CC(C)(CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000340584490 385090901 /nfs/dbraw/zinc/09/09/01/385090901.db2.gz NUMXYOKRRNXHNU-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC000644680019 385091877 /nfs/dbraw/zinc/09/18/77/385091877.db2.gz MDAZZVSDUCVUHA-SSDOTTSWSA-N 1 2 216.235 1.200 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC000644680019 385091882 /nfs/dbraw/zinc/09/18/82/385091882.db2.gz MDAZZVSDUCVUHA-SSDOTTSWSA-N 1 2 216.235 1.200 20 0 BDADLO CO[C@H]1C[N@H+](Cc2nc(C)no2)CC[C@H]1C ZINC000407948846 385094512 /nfs/dbraw/zinc/09/45/12/385094512.db2.gz WQWOASVERMAPHS-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2nc(C)no2)CC[C@H]1C ZINC000407948846 385094517 /nfs/dbraw/zinc/09/45/17/385094517.db2.gz WQWOASVERMAPHS-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1COCC1(C)C ZINC000313000043 385096685 /nfs/dbraw/zinc/09/66/85/385096685.db2.gz WYRFFWHOJUBUQJ-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cnccc2C)[nH]1 ZINC000644682739 385097251 /nfs/dbraw/zinc/09/72/51/385097251.db2.gz MOEWMCUVALMJMH-VIFPVBQESA-N 1 2 231.303 1.667 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C2CC2)C1 ZINC000644684382 385099595 /nfs/dbraw/zinc/09/95/95/385099595.db2.gz DIMVFGBOYLIHPU-UHFFFAOYSA-N 1 2 219.288 1.129 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000341021931 385103007 /nfs/dbraw/zinc/10/30/07/385103007.db2.gz XBALASGYKQHRJN-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000341021931 385103015 /nfs/dbraw/zinc/10/30/15/385103015.db2.gz XBALASGYKQHRJN-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@H](O)C2(CC2)C1 ZINC000336366418 385184841 /nfs/dbraw/zinc/18/48/41/385184841.db2.gz UROZHCYDTXEXOK-LBPRGKRZSA-N 1 2 243.310 1.534 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000189822476 385186988 /nfs/dbraw/zinc/18/69/88/385186988.db2.gz ICJMYMMMGLYHLE-HMDXOVGESA-N 1 2 230.739 1.585 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000189822476 385186997 /nfs/dbraw/zinc/18/69/97/385186997.db2.gz ICJMYMMMGLYHLE-HMDXOVGESA-N 1 2 230.739 1.585 20 0 BDADLO CC[C@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000647054730 385195229 /nfs/dbraw/zinc/19/52/29/385195229.db2.gz QYGXSWXRLXIBDJ-NSHDSACASA-N 1 2 221.304 1.674 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CC1CCC1 ZINC000279783316 385202235 /nfs/dbraw/zinc/20/22/35/385202235.db2.gz LMXZELGNOHBROS-LBPRGKRZSA-N 1 2 223.320 1.359 20 0 BDADLO Cc1[nH]ncc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000189941818 385199768 /nfs/dbraw/zinc/19/97/68/385199768.db2.gz BFOGICKXYBXADI-UHFFFAOYSA-N 1 2 223.320 1.453 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189941818 385199774 /nfs/dbraw/zinc/19/97/74/385199774.db2.gz BFOGICKXYBXADI-UHFFFAOYSA-N 1 2 223.320 1.453 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000359265996 385144337 /nfs/dbraw/zinc/14/43/37/385144337.db2.gz GBTOYUAPPLGIGH-IWSPIJDZSA-N 1 2 243.257 1.289 20 0 BDADLO Cc1oncc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000189429962 385153040 /nfs/dbraw/zinc/15/30/40/385153040.db2.gz CHVPJMKSZWEZBX-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1oncc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000189429962 385153047 /nfs/dbraw/zinc/15/30/47/385153047.db2.gz CHVPJMKSZWEZBX-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H](C)CO)c(C)[nH+]1 ZINC000152191917 385162869 /nfs/dbraw/zinc/16/28/69/385162869.db2.gz MTDMRNSCWOPEBJ-QMMMGPOBSA-N 1 2 223.276 1.201 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279678551 385171799 /nfs/dbraw/zinc/17/17/99/385171799.db2.gz FABIFIZVUCFDOM-QMMMGPOBSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279678551 385171807 /nfs/dbraw/zinc/17/18/07/385171807.db2.gz FABIFIZVUCFDOM-QMMMGPOBSA-N 1 2 243.738 1.276 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000178021381 385173630 /nfs/dbraw/zinc/17/36/30/385173630.db2.gz RTXYIAUNMWLLBL-LLVKDONJSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000178021381 385173637 /nfs/dbraw/zinc/17/36/37/385173637.db2.gz RTXYIAUNMWLLBL-LLVKDONJSA-N 1 2 225.292 1.150 20 0 BDADLO Cn1c[nH+]cc1CN1CCN(C)c2ccccc21 ZINC000177068681 385175566 /nfs/dbraw/zinc/17/55/66/385175566.db2.gz KLPAIBOBELSHJF-UHFFFAOYSA-N 1 2 242.326 1.877 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOc1ccccc1)C1CC1 ZINC000227767343 385230088 /nfs/dbraw/zinc/23/00/88/385230088.db2.gz YBYQVMZEIBRSKS-CYBMUJFWSA-N 1 2 249.310 1.607 20 0 BDADLO COC[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000227841154 385257277 /nfs/dbraw/zinc/25/72/77/385257277.db2.gz YVYJZOFPBFFSCZ-YFKPBYRVSA-N 1 2 216.672 1.159 20 0 BDADLO COC[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000227841154 385257284 /nfs/dbraw/zinc/25/72/84/385257284.db2.gz YVYJZOFPBFFSCZ-YFKPBYRVSA-N 1 2 216.672 1.159 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnn2C)[C@H]1C ZINC000130294897 385238751 /nfs/dbraw/zinc/23/87/51/385238751.db2.gz NXHFKSNNLHNRSC-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnn2C)[C@H]1C ZINC000130294897 385238761 /nfs/dbraw/zinc/23/87/61/385238761.db2.gz NXHFKSNNLHNRSC-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000130431921 385248368 /nfs/dbraw/zinc/24/83/68/385248368.db2.gz ZVYZJONWJDQHNG-GFCCVEGCSA-N 1 2 233.315 1.038 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000130431921 385248378 /nfs/dbraw/zinc/24/83/78/385248378.db2.gz ZVYZJONWJDQHNG-GFCCVEGCSA-N 1 2 233.315 1.038 20 0 BDADLO C[C@H](CF)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000308844011 385203233 /nfs/dbraw/zinc/20/32/33/385203233.db2.gz LGGRTLHIDICXKR-MRVPVSSYSA-N 1 2 214.288 1.481 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccco1 ZINC000190035722 385205435 /nfs/dbraw/zinc/20/54/35/385205435.db2.gz FVEOYWSASXMAJX-LBPRGKRZSA-N 1 2 221.256 1.561 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccco1 ZINC000190035722 385205440 /nfs/dbraw/zinc/20/54/40/385205440.db2.gz FVEOYWSASXMAJX-LBPRGKRZSA-N 1 2 221.256 1.561 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000154086281 385302345 /nfs/dbraw/zinc/30/23/45/385302345.db2.gz JAFMXWZCRHUDAA-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000154086281 385302350 /nfs/dbraw/zinc/30/23/50/385302350.db2.gz JAFMXWZCRHUDAA-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cc1ccc(N[C@@H]2CCCNC(=O)C2)c[nH+]1 ZINC000164861043 385317048 /nfs/dbraw/zinc/31/70/48/385317048.db2.gz ZMZVUSHCDPYZDM-SNVBAGLBSA-N 1 2 219.288 1.471 20 0 BDADLO CC(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290873895 385259875 /nfs/dbraw/zinc/25/98/75/385259875.db2.gz CYDQSPOVMWMAFH-UHFFFAOYSA-N 1 2 207.277 1.271 20 0 BDADLO CCC1(C(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000177607302 385265750 /nfs/dbraw/zinc/26/57/50/385265750.db2.gz ZFXLZXDKGPUSGE-UHFFFAOYSA-N 1 2 240.347 1.015 20 0 BDADLO COC[C@@H](C)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000153607255 385268024 /nfs/dbraw/zinc/26/80/24/385268024.db2.gz IANJFPHIVREQDE-LLVKDONJSA-N 1 2 238.331 1.562 20 0 BDADLO C[N@H+](Cc1csnn1)[C@H]1CCSC1 ZINC000130612269 385268341 /nfs/dbraw/zinc/26/83/41/385268341.db2.gz AZYTXIFASUQMHL-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO C[N@@H+](Cc1csnn1)[C@H]1CCSC1 ZINC000130612269 385268348 /nfs/dbraw/zinc/26/83/48/385268348.db2.gz AZYTXIFASUQMHL-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO CCc1cc(N[C@H](C)c2nc[nH]n2)nc(C)[nH+]1 ZINC000227867247 385271249 /nfs/dbraw/zinc/27/12/49/385271249.db2.gz HMAANVJVLHITEU-SSDOTTSWSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1cc(N[C@H](C)c2nnc[nH]2)nc(C)[nH+]1 ZINC000227867247 385271252 /nfs/dbraw/zinc/27/12/52/385271252.db2.gz HMAANVJVLHITEU-SSDOTTSWSA-N 1 2 232.291 1.639 20 0 BDADLO CCC[C@]1([NH2+]Cc2ccn[nH]2)CCOC1 ZINC000308925064 385295758 /nfs/dbraw/zinc/29/57/58/385295758.db2.gz IANGBZUAWPCEMO-NSHDSACASA-N 1 2 209.293 1.459 20 0 BDADLO C[N@H+](CCOCc1ccccc1)[C@H]1CCOC1=O ZINC000154678437 385345892 /nfs/dbraw/zinc/34/58/92/385345892.db2.gz NCANWWBAULACMS-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO C[N@@H+](CCOCc1ccccc1)[C@H]1CCOC1=O ZINC000154678437 385345895 /nfs/dbraw/zinc/34/58/95/385345895.db2.gz NCANWWBAULACMS-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO C[N@H+](Cc1ccccc1F)[C@H]1CCNC1=O ZINC000178282677 385350543 /nfs/dbraw/zinc/35/05/43/385350543.db2.gz VWEGYYLJHPHWPB-NSHDSACASA-N 1 2 222.263 1.146 20 0 BDADLO C[N@@H+](Cc1ccccc1F)[C@H]1CCNC1=O ZINC000178282677 385350545 /nfs/dbraw/zinc/35/05/45/385350545.db2.gz VWEGYYLJHPHWPB-NSHDSACASA-N 1 2 222.263 1.146 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000192387562 385355845 /nfs/dbraw/zinc/35/58/45/385355845.db2.gz XEHLOOBGCIDURI-MNOVXSKESA-N 1 2 249.314 1.482 20 0 BDADLO CCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178358711 385359772 /nfs/dbraw/zinc/35/97/72/385359772.db2.gz OZCUBDRHPKALKU-UHFFFAOYSA-N 1 2 217.272 1.751 20 0 BDADLO CS[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178378048 385363227 /nfs/dbraw/zinc/36/32/27/385363227.db2.gz AXWBJUQNHRTNCP-VIFPVBQESA-N 1 2 249.339 1.702 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000168353759 385363776 /nfs/dbraw/zinc/36/37/76/385363776.db2.gz HYXFHTUHCMNPRV-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000168353759 385363778 /nfs/dbraw/zinc/36/37/78/385363778.db2.gz HYXFHTUHCMNPRV-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO CCOC[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000180155467 385387102 /nfs/dbraw/zinc/38/71/02/385387102.db2.gz AAIYFYDULJROAM-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CCOC[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000180155467 385387104 /nfs/dbraw/zinc/38/71/04/385387104.db2.gz AAIYFYDULJROAM-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO COC1(C[NH2+]Cc2cn[nH]c2C)CCC1 ZINC000181085415 385402076 /nfs/dbraw/zinc/40/20/76/385402076.db2.gz AXUXEVLDYALCQF-UHFFFAOYSA-N 1 2 209.293 1.377 20 0 BDADLO C=Cn1cc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000193810093 385413065 /nfs/dbraw/zinc/41/30/65/385413065.db2.gz VHOHSTITVQWVQA-UHFFFAOYSA-N 1 2 229.287 1.406 20 0 BDADLO C=Cn1cc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000193810093 385413068 /nfs/dbraw/zinc/41/30/68/385413068.db2.gz VHOHSTITVQWVQA-UHFFFAOYSA-N 1 2 229.287 1.406 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000194002028 385421135 /nfs/dbraw/zinc/42/11/35/385421135.db2.gz TVLPIXQEVNCVPV-ZDUSSCGKSA-N 1 2 233.315 1.594 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000194002028 385421142 /nfs/dbraw/zinc/42/11/42/385421142.db2.gz TVLPIXQEVNCVPV-ZDUSSCGKSA-N 1 2 233.315 1.594 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCCC(=O)N1 ZINC000194063330 385422527 /nfs/dbraw/zinc/42/25/27/385422527.db2.gz PWSQPWCLZFAOPU-LLVKDONJSA-N 1 2 247.298 1.387 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)CCc1ccccn1 ZINC000194586312 385440668 /nfs/dbraw/zinc/44/06/68/385440668.db2.gz JLUJZEPFNAFLHW-LBPRGKRZSA-N 1 2 236.315 1.508 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCc1ccccn1 ZINC000194586312 385440670 /nfs/dbraw/zinc/44/06/70/385440670.db2.gz JLUJZEPFNAFLHW-LBPRGKRZSA-N 1 2 236.315 1.508 20 0 BDADLO CO[C@@H]1CCC[N@H+](CC(=O)c2cccn2C)C1 ZINC000170819724 385449952 /nfs/dbraw/zinc/44/99/52/385449952.db2.gz WCIPNXUVOLBCNG-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO CO[C@@H]1CCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000170819724 385449956 /nfs/dbraw/zinc/44/99/56/385449956.db2.gz WCIPNXUVOLBCNG-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO c1coc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000195012927 385456157 /nfs/dbraw/zinc/45/61/57/385456157.db2.gz PPJSSKAQJSFWMZ-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO c1coc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000195012927 385456161 /nfs/dbraw/zinc/45/61/61/385456161.db2.gz PPJSSKAQJSFWMZ-GFCCVEGCSA-N 1 2 223.272 1.271 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000309129469 385431173 /nfs/dbraw/zinc/43/11/73/385431173.db2.gz CLYFCUAMBLLIJL-SSDOTTSWSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000309129469 385431175 /nfs/dbraw/zinc/43/11/75/385431175.db2.gz CLYFCUAMBLLIJL-SSDOTTSWSA-N 1 2 239.237 1.822 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cccnc2)[C@H]1C ZINC000156066268 385434154 /nfs/dbraw/zinc/43/41/54/385434154.db2.gz XHJHYDIBGUNTAO-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cccnc2)[C@H]1C ZINC000156066268 385434157 /nfs/dbraw/zinc/43/41/57/385434157.db2.gz XHJHYDIBGUNTAO-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000170643193 385437274 /nfs/dbraw/zinc/43/72/74/385437274.db2.gz CKAJWSKKZQWKKZ-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000170643193 385437278 /nfs/dbraw/zinc/43/72/78/385437278.db2.gz CKAJWSKKZQWKKZ-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000179397306 385464991 /nfs/dbraw/zinc/46/49/91/385464991.db2.gz SCRDIXNDHIKLBV-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000179397306 385464993 /nfs/dbraw/zinc/46/49/93/385464993.db2.gz SCRDIXNDHIKLBV-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO CC[C@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000156922887 385474346 /nfs/dbraw/zinc/47/43/46/385474346.db2.gz IICNSMQNIKYENG-VIFPVBQESA-N 1 2 219.288 1.770 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000616927876 385488369 /nfs/dbraw/zinc/48/83/69/385488369.db2.gz RYUBMFOIWIWBKW-SNVBAGLBSA-N 1 2 237.303 1.326 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000616927876 385488372 /nfs/dbraw/zinc/48/83/72/385488372.db2.gz RYUBMFOIWIWBKW-SNVBAGLBSA-N 1 2 237.303 1.326 20 0 BDADLO CN(CC[C@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891921 385458878 /nfs/dbraw/zinc/45/88/78/385458878.db2.gz DGQHSGOYYHQBNW-QMAVJUDZSA-N 1 2 249.314 1.450 20 0 BDADLO Cc1nnc(CC[NH2+]Cc2cn[nH]c2C)s1 ZINC000289801035 385463586 /nfs/dbraw/zinc/46/35/86/385463586.db2.gz KYKUTMBMHIHRRA-UHFFFAOYSA-N 1 2 237.332 1.210 20 0 BDADLO Cc1cnccc1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927890 385488827 /nfs/dbraw/zinc/48/88/27/385488827.db2.gz SHASQIAGNREDKY-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO Cc1cnccc1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927890 385488832 /nfs/dbraw/zinc/48/88/32/385488832.db2.gz SHASQIAGNREDKY-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)n[nH]1 ZINC000109891605 385491246 /nfs/dbraw/zinc/49/12/46/385491246.db2.gz CEYRNVDODCPBIE-UHFFFAOYSA-N 1 2 218.216 1.071 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)n(C)n1 ZINC000109891167 385491683 /nfs/dbraw/zinc/49/16/83/385491683.db2.gz GHMIYKJXBQFXAH-UHFFFAOYSA-N 1 2 232.243 1.081 20 0 BDADLO CCCCC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000309239772 385495737 /nfs/dbraw/zinc/49/57/37/385495737.db2.gz YCVUHEJSGFLDEF-NSHDSACASA-N 1 2 215.293 1.098 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000644135794 385518097 /nfs/dbraw/zinc/51/80/97/385518097.db2.gz XRBHKCBWJLXWHW-VHSXEESVSA-N 1 2 230.271 1.244 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C/[C@H]1CCOC1 ZINC000493072740 385512439 /nfs/dbraw/zinc/51/24/39/385512439.db2.gz RCVUCLJXUUYVHG-UFFNRZRYSA-N 1 2 249.314 1.112 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000171896490 385529636 /nfs/dbraw/zinc/52/96/36/385529636.db2.gz XHAPSFDUMVYTEM-LLVKDONJSA-N 1 2 238.335 1.571 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC(C2CC2)C1 ZINC000643169447 385538577 /nfs/dbraw/zinc/53/85/77/385538577.db2.gz CLWXWUSOSJZCRN-UHFFFAOYSA-N 1 2 229.287 1.210 20 0 BDADLO CCCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000309342829 385540873 /nfs/dbraw/zinc/54/08/73/385540873.db2.gz VRTNAYWEGRDXBY-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CC(C)c1nc(N2C[C@H](O)C3(CC3)C2)cc[nH+]1 ZINC000368801153 385545935 /nfs/dbraw/zinc/54/59/35/385545935.db2.gz WJSVXGIYUIBBSE-JTQLQIEISA-N 1 2 233.315 1.561 20 0 BDADLO CN(Cc1nc[nH]n1)Cc1cccc2[nH+]ccn21 ZINC000180324541 385519082 /nfs/dbraw/zinc/51/90/82/385519082.db2.gz ZGJCIJYKXANPJG-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO CN(Cc1nnc[nH]1)Cc1cccc2[nH+]ccn21 ZINC000180324541 385519085 /nfs/dbraw/zinc/51/90/85/385519085.db2.gz ZGJCIJYKXANPJG-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@](C)(F)C2)o1 ZINC000335095538 385522751 /nfs/dbraw/zinc/52/27/51/385522751.db2.gz YOHHGJCQWKOVKG-XVKPBYJWSA-N 1 2 213.256 1.873 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@](C)(F)C2)o1 ZINC000335095538 385522756 /nfs/dbraw/zinc/52/27/56/385522756.db2.gz YOHHGJCQWKOVKG-XVKPBYJWSA-N 1 2 213.256 1.873 20 0 BDADLO Cn1cnnc1SCCCn1cc[nH+]c1 ZINC000180428205 385523587 /nfs/dbraw/zinc/52/35/87/385523587.db2.gz NSZADPOJVSWQJR-UHFFFAOYSA-N 1 2 223.305 1.194 20 0 BDADLO COC[C@@H]([NH2+]C1CCCCCC1)C(=O)OC ZINC000309421697 385575942 /nfs/dbraw/zinc/57/59/42/385575942.db2.gz CDIZLHKYZRRHIJ-LLVKDONJSA-N 1 2 229.320 1.487 20 0 BDADLO CSCCNc1cc(NC2CC2)nc[nH+]1 ZINC000591137277 385554178 /nfs/dbraw/zinc/55/41/78/385554178.db2.gz JYOXWASIQONEKF-UHFFFAOYSA-N 1 2 224.333 1.826 20 0 BDADLO CSCCNc1cc(NC2CC2)[nH+]cn1 ZINC000591137277 385554182 /nfs/dbraw/zinc/55/41/82/385554182.db2.gz JYOXWASIQONEKF-UHFFFAOYSA-N 1 2 224.333 1.826 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1=CCCC1 ZINC000334658198 385600363 /nfs/dbraw/zinc/60/03/63/385600363.db2.gz JWQHWWOYPQGRKJ-UHFFFAOYSA-N 1 2 205.261 1.478 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCSCC1 ZINC000493591211 385585802 /nfs/dbraw/zinc/58/58/02/385585802.db2.gz VYBCRKNFPXZHRU-NSCUHMNNSA-N 1 2 237.328 1.388 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc[nH]1)C2 ZINC000365064102 385588269 /nfs/dbraw/zinc/58/82/69/385588269.db2.gz XZBWDRFEJJRHCV-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000335405305 385590774 /nfs/dbraw/zinc/59/07/74/385590774.db2.gz WXNAVZDRFFOWFY-SNVBAGLBSA-N 1 2 243.738 1.419 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CC[C@@H](O)C2(C)C)n1 ZINC000335405305 385590780 /nfs/dbraw/zinc/59/07/80/385590780.db2.gz WXNAVZDRFFOWFY-SNVBAGLBSA-N 1 2 243.738 1.419 20 0 BDADLO CO[C@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493751308 385614110 /nfs/dbraw/zinc/61/41/10/385614110.db2.gz HBHVQJRTBSJNKN-CFHLNLSMSA-N 1 2 249.314 1.354 20 0 BDADLO c1csc(C[NH+]2CCSCC2)n1 ZINC000269626692 385615803 /nfs/dbraw/zinc/61/58/03/385615803.db2.gz GKYFVWBFSWKKNV-UHFFFAOYSA-N 1 2 200.332 1.692 20 0 BDADLO CCCc1occc1C(=O)NCc1[nH]cc[nH+]1 ZINC000281113485 385636281 /nfs/dbraw/zinc/63/62/81/385636281.db2.gz BJZDVFMAEWFIJE-UHFFFAOYSA-N 1 2 233.271 1.885 20 0 BDADLO CCc1noc(COc2cc[nH+]cc2)n1 ZINC000644869691 385613530 /nfs/dbraw/zinc/61/35/30/385613530.db2.gz XTIHLEUGFDGWPO-UHFFFAOYSA-N 1 2 205.217 1.606 20 0 BDADLO CCCCCN1CC(=O)N[C@@H]1c1c[nH+]cn1C ZINC000182324447 385656615 /nfs/dbraw/zinc/65/66/15/385656615.db2.gz HUNZCOUDCKVVJX-LBPRGKRZSA-N 1 2 236.319 1.041 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H](O)C(C)C ZINC000414524554 385660815 /nfs/dbraw/zinc/66/08/15/385660815.db2.gz IEHHVEIUNCEULU-QWRGUYRKSA-N 1 2 211.309 1.295 20 0 BDADLO c1coc(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000182354192 385660934 /nfs/dbraw/zinc/66/09/34/385660934.db2.gz OQIHBWMJIURJFH-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CC(C)COCC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000337486349 385674518 /nfs/dbraw/zinc/67/45/18/385674518.db2.gz ZGCIISYBYHEFJM-WBMJQRKESA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)COCC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000337486349 385674521 /nfs/dbraw/zinc/67/45/21/385674521.db2.gz ZGCIISYBYHEFJM-WBMJQRKESA-N 1 2 247.404 1.502 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000270155064 385678159 /nfs/dbraw/zinc/67/81/59/385678159.db2.gz DOWAKNSZVQBVPD-NSHDSACASA-N 1 2 235.287 1.145 20 0 BDADLO Cc1ccc(NC(=O)c2cnnn2C)c(C)[nH+]1 ZINC000281588416 385683945 /nfs/dbraw/zinc/68/39/45/385683945.db2.gz QUTUHUVIMLWYJK-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1ccn(C)n1 ZINC000340040289 385717530 /nfs/dbraw/zinc/71/75/30/385717530.db2.gz BFAXLPWDIMWPQR-UHFFFAOYSA-N 1 2 244.298 1.117 20 0 BDADLO C[C@@H](O)CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270255806 385688450 /nfs/dbraw/zinc/68/84/50/385688450.db2.gz WDHXMDVIRPSWON-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@@H](O)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270255806 385688458 /nfs/dbraw/zinc/68/84/58/385688458.db2.gz WDHXMDVIRPSWON-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337504840 385690557 /nfs/dbraw/zinc/69/05/57/385690557.db2.gz DYBBTWSMXHIBOR-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337504840 385690563 /nfs/dbraw/zinc/69/05/63/385690563.db2.gz DYBBTWSMXHIBOR-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000337500253 385695337 /nfs/dbraw/zinc/69/53/37/385695337.db2.gz VIXPTZKCQAVHNE-MKPLZMMCSA-N 1 2 234.299 1.564 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOCC(C)C)n1 ZINC000336686163 385696146 /nfs/dbraw/zinc/69/61/46/385696146.db2.gz UOQJPQWUQBNOLL-SECBINFHSA-N 1 2 227.308 1.701 20 0 BDADLO FC(F)[C@@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000337526630 385697814 /nfs/dbraw/zinc/69/78/14/385697814.db2.gz RTTZTKLBELTRTH-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccco1 ZINC000281844961 385708044 /nfs/dbraw/zinc/70/80/44/385708044.db2.gz AXLBAFFWWQEBJU-UHFFFAOYSA-N 1 2 234.303 1.916 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)s1 ZINC000281921946 385715342 /nfs/dbraw/zinc/71/53/42/385715342.db2.gz AFBNNBYYGIRHNQ-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NCC2(C)C)s1 ZINC000281921946 385715349 /nfs/dbraw/zinc/71/53/49/385715349.db2.gz AFBNNBYYGIRHNQ-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@@H]([NH2+]CCC(O)(CC)CC)C(=O)OC ZINC000336734345 385667752 /nfs/dbraw/zinc/66/77/52/385667752.db2.gz KVIBFIAAPUJPQK-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO CC(Cl)(Cl)C(=O)NCCn1cc[nH+]c1 ZINC000182474023 385671248 /nfs/dbraw/zinc/67/12/48/385671248.db2.gz TXCBGIOHCPCVMY-UHFFFAOYSA-N 1 2 236.102 1.193 20 0 BDADLO CO[C@]1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282758020 385785585 /nfs/dbraw/zinc/78/55/85/385785585.db2.gz KTJBSCLRLLRCAJ-MUBLQREKSA-N 1 2 249.314 1.450 20 0 BDADLO COC(=O)C[N@H+](C)CCc1csc(C)n1 ZINC000259750068 385785772 /nfs/dbraw/zinc/78/57/72/385785772.db2.gz QXGBWAIJEPBPBP-UHFFFAOYSA-N 1 2 228.317 1.099 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1csc(C)n1 ZINC000259750068 385785776 /nfs/dbraw/zinc/78/57/76/385785776.db2.gz QXGBWAIJEPBPBP-UHFFFAOYSA-N 1 2 228.317 1.099 20 0 BDADLO Cc1nc(N2CCC[C@@](C)(O)CC2)cc[nH+]1 ZINC000230373906 385731630 /nfs/dbraw/zinc/73/16/30/385731630.db2.gz SBLMRJXHWQOVKA-GFCCVEGCSA-N 1 2 221.304 1.526 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000408375765 385741971 /nfs/dbraw/zinc/74/19/71/385741971.db2.gz PUJAXIQZLZUNIO-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000408375765 385741980 /nfs/dbraw/zinc/74/19/80/385741980.db2.gz PUJAXIQZLZUNIO-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO Nc1ccc(NC(=O)C[C@@H]2C=CCC2)c[nH+]1 ZINC000061680437 385745259 /nfs/dbraw/zinc/74/52/59/385745259.db2.gz KDVAURLRXMATBE-SECBINFHSA-N 1 2 217.272 1.959 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000270804953 385747306 /nfs/dbraw/zinc/74/73/06/385747306.db2.gz OJVAPXAMMHYPRZ-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000270804953 385747310 /nfs/dbraw/zinc/74/73/10/385747310.db2.gz OJVAPXAMMHYPRZ-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO Cc1nc(C(C)(C)NCCn2cc[nH+]c2)no1 ZINC000270854786 385753160 /nfs/dbraw/zinc/75/31/60/385753160.db2.gz ITMYCRSWMDSYSV-UHFFFAOYSA-N 1 2 235.291 1.099 20 0 BDADLO CCc1cccnc1C(=O)NCCn1cc[nH+]c1 ZINC000270862263 385753257 /nfs/dbraw/zinc/75/32/57/385753257.db2.gz KDRLOWATIVHACS-UHFFFAOYSA-N 1 2 244.298 1.271 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186384281 385757379 /nfs/dbraw/zinc/75/73/79/385757379.db2.gz JHKZUKXBFHYJIV-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000271049378 385779073 /nfs/dbraw/zinc/77/90/73/385779073.db2.gz URELDFGVCHUPOI-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000271049378 385779077 /nfs/dbraw/zinc/77/90/77/385779077.db2.gz URELDFGVCHUPOI-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000335536691 385779155 /nfs/dbraw/zinc/77/91/55/385779155.db2.gz IEOASFLUFRKROW-UHFFFAOYSA-N 1 2 240.209 1.796 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cnc[nH]1)c1[nH]cc[nH+]1 ZINC000282743618 385782886 /nfs/dbraw/zinc/78/28/86/385782886.db2.gz DWSFSFFWOUASIR-SECBINFHSA-N 1 2 233.275 1.260 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)CC(C)(C)CO ZINC000270622747 385725810 /nfs/dbraw/zinc/72/58/10/385725810.db2.gz DOAAVFZZOBLRRF-UHFFFAOYSA-N 1 2 247.289 1.729 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)CC(C)(C)CO ZINC000270622747 385725815 /nfs/dbraw/zinc/72/58/15/385725815.db2.gz DOAAVFZZOBLRRF-UHFFFAOYSA-N 1 2 247.289 1.729 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1CC(F)(F)C1 ZINC000331633173 385799243 /nfs/dbraw/zinc/79/92/43/385799243.db2.gz SVLJWAXGBGTUCI-UHFFFAOYSA-N 1 2 244.245 1.017 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)C(F)(F)F ZINC000183921222 385802877 /nfs/dbraw/zinc/80/28/77/385802877.db2.gz WOEMDVHTDWSJBC-WPRPVWTQSA-N 1 2 248.248 1.788 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000183921222 385802879 /nfs/dbraw/zinc/80/28/79/385802879.db2.gz WOEMDVHTDWSJBC-WPRPVWTQSA-N 1 2 248.248 1.788 20 0 BDADLO Cc1ccc([C@@H](O)C[N@@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC000283043583 385804252 /nfs/dbraw/zinc/80/42/52/385804252.db2.gz JAOOVQFSPVJYJC-DOMZBBRYSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccc([C@@H](O)C[N@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC000283043583 385804259 /nfs/dbraw/zinc/80/42/59/385804259.db2.gz JAOOVQFSPVJYJC-DOMZBBRYSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccc([C@H](O)C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC000283043590 385805762 /nfs/dbraw/zinc/80/57/62/385805762.db2.gz JAOOVQFSPVJYJC-SWLSCSKDSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccc([C@H](O)C[N@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC000283043590 385805766 /nfs/dbraw/zinc/80/57/66/385805766.db2.gz JAOOVQFSPVJYJC-SWLSCSKDSA-N 1 2 247.338 1.939 20 0 BDADLO CC1(C)CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000112702186 385856769 /nfs/dbraw/zinc/85/67/69/385856769.db2.gz YVQQQVQXYPOPTB-UHFFFAOYSA-N 1 2 235.335 1.630 20 0 BDADLO CC1(C)CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000112702186 385856774 /nfs/dbraw/zinc/85/67/74/385856774.db2.gz YVQQQVQXYPOPTB-UHFFFAOYSA-N 1 2 235.335 1.630 20 0 BDADLO Cc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)[nH]n1 ZINC000283096484 385808075 /nfs/dbraw/zinc/80/80/75/385808075.db2.gz UGVWXUAGBOXMMQ-SNVBAGLBSA-N 1 2 247.302 1.568 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cocn1)c1[nH]cc[nH+]1 ZINC000283146855 385810670 /nfs/dbraw/zinc/81/06/70/385810670.db2.gz YGMRSMJPSAOJJK-SECBINFHSA-N 1 2 234.259 1.525 20 0 BDADLO CCN(CCC1CC1)c1[nH+]cnc2c1cnn2C ZINC000337870365 385811385 /nfs/dbraw/zinc/81/13/85/385811385.db2.gz NJFLPXGKFCSAGX-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1CC(F)(F)C1 ZINC000331658402 385817949 /nfs/dbraw/zinc/81/79/49/385817949.db2.gz XWKLKOBAALFJTC-UHFFFAOYSA-N 1 2 244.245 1.017 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@](C)(F)C1 ZINC000337878996 385819467 /nfs/dbraw/zinc/81/94/67/385819467.db2.gz SPIAWEXAGJUDOI-LLVKDONJSA-N 1 2 235.266 1.302 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000187004929 385822357 /nfs/dbraw/zinc/82/23/57/385822357.db2.gz VAIFPPACYMPDSP-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CCOCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000187004929 385822359 /nfs/dbraw/zinc/82/23/59/385822359.db2.gz VAIFPPACYMPDSP-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H]1C ZINC000294220250 385824010 /nfs/dbraw/zinc/82/40/10/385824010.db2.gz RJMJJHYQJOMYPH-CBAPKCEASA-N 1 2 207.277 1.127 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CF)[nH]1 ZINC000294216649 385824229 /nfs/dbraw/zinc/82/42/29/385824229.db2.gz YOFAHCJXOZUGNH-JTQLQIEISA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2CF)[nH]1 ZINC000294216649 385824234 /nfs/dbraw/zinc/82/42/34/385824234.db2.gz YOFAHCJXOZUGNH-JTQLQIEISA-N 1 2 240.278 1.735 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@@H](C)O2)cc[nH+]1 ZINC000397926569 385825403 /nfs/dbraw/zinc/82/54/03/385825403.db2.gz RMWBFLFSFRIPIO-SCZZXKLOSA-N 1 2 207.277 1.186 20 0 BDADLO FC[C@H]1CCC[N@@H+]1Cc1cnc2cnccn12 ZINC000294233688 385825906 /nfs/dbraw/zinc/82/59/06/385825906.db2.gz ZLVDKZVPHOEJME-SNVBAGLBSA-N 1 2 234.278 1.663 20 0 BDADLO FC[C@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000294233688 385825908 /nfs/dbraw/zinc/82/59/08/385825908.db2.gz ZLVDKZVPHOEJME-SNVBAGLBSA-N 1 2 234.278 1.663 20 0 BDADLO O=C(CO)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000283733108 385830051 /nfs/dbraw/zinc/83/00/51/385830051.db2.gz LZPZIRILFQCEPH-UHFFFAOYSA-N 1 2 245.282 1.761 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1O ZINC000413222750 385831571 /nfs/dbraw/zinc/83/15/71/385831571.db2.gz KVJFXBQMGAAHJL-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1O ZINC000413222750 385831579 /nfs/dbraw/zinc/83/15/79/385831579.db2.gz KVJFXBQMGAAHJL-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413220750 385832024 /nfs/dbraw/zinc/83/20/24/385832024.db2.gz HHWJDQZPHATHEF-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO CC[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413220750 385832027 /nfs/dbraw/zinc/83/20/27/385832027.db2.gz HHWJDQZPHATHEF-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO CCCCC[N@H+](CCO)Cc1nnc(C)n1C ZINC000112411521 385833484 /nfs/dbraw/zinc/83/34/84/385833484.db2.gz JUTIIWKPEVMLRS-UHFFFAOYSA-N 1 2 240.351 1.108 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1nnc(C)n1C ZINC000112411521 385833488 /nfs/dbraw/zinc/83/34/88/385833488.db2.gz JUTIIWKPEVMLRS-UHFFFAOYSA-N 1 2 240.351 1.108 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283859420 385837364 /nfs/dbraw/zinc/83/73/64/385837364.db2.gz HLBQBFHVDAZZEI-PRANIUCASA-N 1 2 249.314 1.449 20 0 BDADLO Cc1coc(C)c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283874653 385839100 /nfs/dbraw/zinc/83/91/00/385839100.db2.gz HGTKYWSCPVBXIJ-SNVBAGLBSA-N 1 2 247.298 1.911 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000148540042 385842438 /nfs/dbraw/zinc/84/24/38/385842438.db2.gz VLZVCUMWIJUAKL-DTWKUNHWSA-N 1 2 215.293 1.095 20 0 BDADLO CO[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283965588 385842854 /nfs/dbraw/zinc/84/28/54/385842854.db2.gz LZASKEHXHFECDJ-ZWNMCFTASA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000283984751 385844856 /nfs/dbraw/zinc/84/48/56/385844856.db2.gz JBEDTMBPDOYTHT-NSHDSACASA-N 1 2 226.345 1.796 20 0 BDADLO CC[C@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000283984751 385844858 /nfs/dbraw/zinc/84/48/58/385844858.db2.gz JBEDTMBPDOYTHT-NSHDSACASA-N 1 2 226.345 1.796 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccon1 ZINC000271698498 385845262 /nfs/dbraw/zinc/84/52/62/385845262.db2.gz KQCSDEBWUQWWPR-QMMMGPOBSA-N 1 2 235.247 1.081 20 0 BDADLO CCCCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294404564 385846177 /nfs/dbraw/zinc/84/61/77/385846177.db2.gz NOQPPEXMTMZQQV-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCCCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294404564 385846180 /nfs/dbraw/zinc/84/61/80/385846180.db2.gz NOQPPEXMTMZQQV-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CC(C)c1nc(N[C@H]2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000413618111 385849410 /nfs/dbraw/zinc/84/94/10/385849410.db2.gz UNVNIRNIYWMRNV-NEPJUHHUSA-N 1 2 249.358 1.985 20 0 BDADLO CCN(CC1CCC1)c1[nH+]cnc2c1cnn2C ZINC000337944509 385853462 /nfs/dbraw/zinc/85/34/62/385853462.db2.gz YRHFMGWPGDYCAN-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000294478707 385855277 /nfs/dbraw/zinc/85/52/77/385855277.db2.gz DGHRCRLNEPDEHM-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO CCN(CCCO)C(=O)Nc1cc[nH+]c(C)c1 ZINC000271124378 385790381 /nfs/dbraw/zinc/79/03/81/385790381.db2.gz KLZALHIEFJPZQV-UHFFFAOYSA-N 1 2 237.303 1.626 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000271123305 385790560 /nfs/dbraw/zinc/79/05/60/385790560.db2.gz KGJQDTOJRQRZGV-PWSUYJOCSA-N 1 2 249.314 1.673 20 0 BDADLO CC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000186778385 385791966 /nfs/dbraw/zinc/79/19/66/385791966.db2.gz NBKHLAHGEXWUJQ-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CC1CCCC1 ZINC000337805379 385794189 /nfs/dbraw/zinc/79/41/89/385794189.db2.gz KHFLMMZSQKIWNG-CYBMUJFWSA-N 1 2 237.347 1.749 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000282904307 385794377 /nfs/dbraw/zinc/79/43/77/385794377.db2.gz FDRNYDKFEPGVTA-SNVBAGLBSA-N 1 2 233.271 1.698 20 0 BDADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)Cc1ccccc1 ZINC000294729237 385887452 /nfs/dbraw/zinc/88/74/52/385887452.db2.gz GDMOQPFRZKWKCW-AWEZNQCLSA-N 1 2 245.326 1.757 20 0 BDADLO COc1cc(C)nc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000647842738 385891979 /nfs/dbraw/zinc/89/19/79/385891979.db2.gz HVPNMYABRFVHRA-UHFFFAOYSA-N 1 2 245.286 1.079 20 0 BDADLO CC[C@H](CO)N(C)c1cc[nH+]c2ccncc21 ZINC000294837877 385901664 /nfs/dbraw/zinc/90/16/64/385901664.db2.gz AWXZFZOQJTUBGU-SNVBAGLBSA-N 1 2 231.299 1.837 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1Cc1[nH+]ccn1C ZINC000272493587 385906788 /nfs/dbraw/zinc/90/67/88/385906788.db2.gz SNKKCLKXDYUWKV-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nccn1C ZINC000272493587 385906793 /nfs/dbraw/zinc/90/67/93/385906793.db2.gz SNKKCLKXDYUWKV-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nccn1C ZINC000272493587 385906796 /nfs/dbraw/zinc/90/67/96/385906796.db2.gz SNKKCLKXDYUWKV-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CC(C)N1CC[N@@H+]([C@H](C)c2cccnc2)CC1=O ZINC000272530837 385910759 /nfs/dbraw/zinc/91/07/59/385910759.db2.gz IKQPGSVAEAICHG-GFCCVEGCSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)N1CC[N@H+]([C@H](C)c2cccnc2)CC1=O ZINC000272530837 385910763 /nfs/dbraw/zinc/91/07/63/385910763.db2.gz IKQPGSVAEAICHG-GFCCVEGCSA-N 1 2 247.342 1.695 20 0 BDADLO C[N@H+](CCOCCO)C/C(Cl)=C/Cl ZINC000282582960 385913054 /nfs/dbraw/zinc/91/30/54/385913054.db2.gz UZGVGKLZICMOTH-VURMDHGXSA-N 1 2 228.119 1.246 20 0 BDADLO C[N@@H+](CCOCCO)C/C(Cl)=C/Cl ZINC000282582960 385913058 /nfs/dbraw/zinc/91/30/58/385913058.db2.gz UZGVGKLZICMOTH-VURMDHGXSA-N 1 2 228.119 1.246 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356038719 385915427 /nfs/dbraw/zinc/91/54/27/385915427.db2.gz UQDWBKMHUWDIKL-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356038719 385915430 /nfs/dbraw/zinc/91/54/30/385915430.db2.gz UQDWBKMHUWDIKL-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](CO)c2ccccc2)s1 ZINC000272601119 385916793 /nfs/dbraw/zinc/91/67/93/385916793.db2.gz UITWDYLXNQUVIV-NSHDSACASA-N 1 2 249.339 1.670 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1cc(F)ncc1F ZINC000294972529 385929995 /nfs/dbraw/zinc/92/99/95/385929995.db2.gz WXCKFROSUHWFTB-MRVPVSSYSA-N 1 2 230.258 1.827 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1cc(F)ncc1F ZINC000294972529 385930000 /nfs/dbraw/zinc/93/00/00/385930000.db2.gz WXCKFROSUHWFTB-MRVPVSSYSA-N 1 2 230.258 1.827 20 0 BDADLO Nc1ccc(NC(=O)[C@]23C[C@H]2CCC3)c[nH+]1 ZINC000335033319 385921354 /nfs/dbraw/zinc/92/13/54/385921354.db2.gz GFDVVOKBCYPYNQ-PRHODGIISA-N 1 2 217.272 1.623 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000338234108 385925616 /nfs/dbraw/zinc/92/56/16/385925616.db2.gz XLKUOHCOZRISFP-LNFKQOIKSA-N 1 2 239.315 1.095 20 0 BDADLO Cc1ccc(NC(=O)c2cnn(C)n2)c(C)[nH+]1 ZINC000285455378 385926538 /nfs/dbraw/zinc/92/65/38/385926538.db2.gz ZQKMGDYMIWBELW-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO C[N@H+](CCc1ccc(F)cc1)Cc1cnn[nH]1 ZINC000284303143 385861008 /nfs/dbraw/zinc/86/10/08/385861008.db2.gz OSNYNBLSUXGPKG-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1ccc(F)cc1)Cc1cnn[nH]1 ZINC000284303143 385861015 /nfs/dbraw/zinc/86/10/15/385861015.db2.gz OSNYNBLSUXGPKG-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@H+](CCc1ccc(F)cc1)Cc1c[nH]nn1 ZINC000284303143 385861020 /nfs/dbraw/zinc/86/10/20/385861020.db2.gz OSNYNBLSUXGPKG-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1ccc(F)cc1)Cc1c[nH]nn1 ZINC000284303143 385861025 /nfs/dbraw/zinc/86/10/25/385861025.db2.gz OSNYNBLSUXGPKG-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@H+](CCc1ccc(F)cc1)Cc1cn[nH]n1 ZINC000284303143 385861029 /nfs/dbraw/zinc/86/10/29/385861029.db2.gz OSNYNBLSUXGPKG-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1ccc(F)cc1)Cc1cn[nH]n1 ZINC000284303143 385861033 /nfs/dbraw/zinc/86/10/33/385861033.db2.gz OSNYNBLSUXGPKG-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[C@H](CO)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000284317540 385861193 /nfs/dbraw/zinc/86/11/93/385861193.db2.gz AVKIUQSIEJCNON-LLVKDONJSA-N 1 2 237.299 1.042 20 0 BDADLO C[C@H](CO)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000284317540 385861196 /nfs/dbraw/zinc/86/11/96/385861196.db2.gz AVKIUQSIEJCNON-LLVKDONJSA-N 1 2 237.299 1.042 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1conc1C ZINC000294534964 385863640 /nfs/dbraw/zinc/86/36/40/385863640.db2.gz DKNWWVRVSYBQLU-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1conc1C ZINC000294534964 385863643 /nfs/dbraw/zinc/86/36/43/385863643.db2.gz DKNWWVRVSYBQLU-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)C[C@@H]1CCCO1 ZINC000294547358 385865103 /nfs/dbraw/zinc/86/51/03/385865103.db2.gz KAJMMLCALJTEOL-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)C[C@@H]1CCCO1 ZINC000294547358 385865106 /nfs/dbraw/zinc/86/51/06/385865106.db2.gz KAJMMLCALJTEOL-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CC(C)N(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284410459 385867873 /nfs/dbraw/zinc/86/78/73/385867873.db2.gz NVJLCFBMLNGDPF-ONEGZZNKSA-N 1 2 243.257 1.925 20 0 BDADLO CO[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000284443670 385869408 /nfs/dbraw/zinc/86/94/08/385869408.db2.gz QJGUSJSAHHXJDT-SGUJLRQBSA-N 1 2 237.303 1.210 20 0 BDADLO CC1(C)C[C@@H]1[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000294582194 385870833 /nfs/dbraw/zinc/87/08/33/385870833.db2.gz CJQYMOQCXCXDEH-WDEREUQCSA-N 1 2 243.314 1.677 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nnc[nH]1)c1ccccc1 ZINC000284446857 385871572 /nfs/dbraw/zinc/87/15/72/385871572.db2.gz QPHFVELSIGUUCX-GFCCVEGCSA-N 1 2 246.314 1.624 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nnc[nH]1)c1ccccc1 ZINC000284446857 385871575 /nfs/dbraw/zinc/87/15/75/385871575.db2.gz QPHFVELSIGUUCX-GFCCVEGCSA-N 1 2 246.314 1.624 20 0 BDADLO COc1nccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000294586943 385871569 /nfs/dbraw/zinc/87/15/69/385871569.db2.gz RCDNMFXACYLJET-AOOOYVTPSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000294586943 385871573 /nfs/dbraw/zinc/87/15/73/385871573.db2.gz RCDNMFXACYLJET-AOOOYVTPSA-N 1 2 237.303 1.094 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000294622451 385875789 /nfs/dbraw/zinc/87/57/89/385875789.db2.gz JGBVWNGOTRICDH-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000294622451 385875791 /nfs/dbraw/zinc/87/57/91/385875791.db2.gz JGBVWNGOTRICDH-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1noc(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000272124150 385877572 /nfs/dbraw/zinc/87/75/72/385877572.db2.gz QUFWWHBRIAXALN-LLVKDONJSA-N 1 2 233.271 1.201 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000294649471 385878374 /nfs/dbraw/zinc/87/83/74/385878374.db2.gz BHNZVWXPRAZXFY-RYUDHWBXSA-N 1 2 249.314 1.239 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000294649471 385878377 /nfs/dbraw/zinc/87/83/77/385878377.db2.gz BHNZVWXPRAZXFY-RYUDHWBXSA-N 1 2 249.314 1.239 20 0 BDADLO FC(F)COCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286056749 385990447 /nfs/dbraw/zinc/99/04/47/385990447.db2.gz IZHABKYCJVMZQZ-JTQLQIEISA-N 1 2 245.273 1.828 20 0 BDADLO FC(F)COCC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286056749 385990452 /nfs/dbraw/zinc/99/04/52/385990452.db2.gz IZHABKYCJVMZQZ-JTQLQIEISA-N 1 2 245.273 1.828 20 0 BDADLO Cc1cc(N2CC(C)(C(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000645293483 385934556 /nfs/dbraw/zinc/93/45/56/385934556.db2.gz OIQQOWKBQPFMQL-UHFFFAOYSA-N 1 2 248.330 1.220 20 0 BDADLO COC(=O)C[N@H+](Cc1ccncc1C)C(C)C ZINC000294986927 385935179 /nfs/dbraw/zinc/93/51/79/385935179.db2.gz XTNWEBLYWVDIQV-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccncc1C)C(C)C ZINC000294986927 385935181 /nfs/dbraw/zinc/93/51/81/385935181.db2.gz XTNWEBLYWVDIQV-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](CCO)C(C)(C)C)c[nH+]1 ZINC000294985962 385935574 /nfs/dbraw/zinc/93/55/74/385935574.db2.gz PUGOYRUWZVDKNS-SNVBAGLBSA-N 1 2 239.319 1.245 20 0 BDADLO O=C1C[C@H](Nc2cccc[nH+]2)[C@H]2CCCCN12 ZINC000335050273 385945548 /nfs/dbraw/zinc/94/55/48/385945548.db2.gz LTELYVJSMBAQAF-WDEREUQCSA-N 1 2 231.299 1.647 20 0 BDADLO CC1(C)CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000643249918 385948957 /nfs/dbraw/zinc/94/89/57/385948957.db2.gz NAVMLYPINUPMIU-SECBINFHSA-N 1 2 248.330 1.318 20 0 BDADLO CC1(C)CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000643249918 385948964 /nfs/dbraw/zinc/94/89/64/385948964.db2.gz NAVMLYPINUPMIU-SECBINFHSA-N 1 2 248.330 1.318 20 0 BDADLO COC[C@@H](C)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000365999401 385949285 /nfs/dbraw/zinc/94/92/85/385949285.db2.gz HKCHREUGQFMNKO-SNVBAGLBSA-N 1 2 239.290 1.364 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](O)C2)s1 ZINC000338284630 385950086 /nfs/dbraw/zinc/95/00/86/385950086.db2.gz RUEKHHYOPCVEHE-OYNCUSHFSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@H](O)C2)s1 ZINC000338284630 385950091 /nfs/dbraw/zinc/95/00/91/385950091.db2.gz RUEKHHYOPCVEHE-OYNCUSHFSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@]2(C)CCOC2)c[nH+]1 ZINC000335058477 385958334 /nfs/dbraw/zinc/95/83/34/385958334.db2.gz OSQGKBRGHNMEQG-CQSZACIVSA-N 1 2 248.326 1.741 20 0 BDADLO CCc1ccc[nH+]c1NCN1CCC(=O)CC1 ZINC000273067663 385966573 /nfs/dbraw/zinc/96/65/73/385966573.db2.gz JZQVLQXUOYXXII-UHFFFAOYSA-N 1 2 233.315 1.678 20 0 BDADLO CO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1CC1 ZINC000425403107 385967676 /nfs/dbraw/zinc/96/76/76/385967676.db2.gz SXSLFRZXXYOPMM-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1CC1 ZINC000425403107 385967678 /nfs/dbraw/zinc/96/76/78/385967678.db2.gz SXSLFRZXXYOPMM-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@@H]([NH2+]Cc1ccco1)c1ncnn1C ZINC000336747348 385972424 /nfs/dbraw/zinc/97/24/24/385972424.db2.gz CLEMNSDTOTUCMC-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO c1ccc(N2CCOCC3(CCOCC3)C2)[nH+]c1 ZINC000273131468 385973101 /nfs/dbraw/zinc/97/31/01/385973101.db2.gz IVFLVSXONNKYBD-UHFFFAOYSA-N 1 2 248.326 1.715 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000273500167 386007274 /nfs/dbraw/zinc/00/72/74/386007274.db2.gz MGVYPZFUPKVFLT-JTQLQIEISA-N 1 2 240.303 1.035 20 0 BDADLO CC[C@H](NCc1c[nH+]cn1C)C(F)(F)F ZINC000336770678 386010384 /nfs/dbraw/zinc/01/03/84/386010384.db2.gz VUKPIZXDEIDRBY-QMMMGPOBSA-N 1 2 221.226 1.851 20 0 BDADLO CC[C@@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)CCO1 ZINC000335069812 386016327 /nfs/dbraw/zinc/01/63/27/386016327.db2.gz RDSMUAHVJHMWAU-VHSXEESVSA-N 1 2 237.303 1.406 20 0 BDADLO CC(C)(C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)c1c[nH+]c[nH]1 ZINC000335069619 386016675 /nfs/dbraw/zinc/01/66/75/386016675.db2.gz WBXGZKGUTIRWJY-AOOOYVTPSA-N 1 2 247.342 1.802 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000286284320 386017776 /nfs/dbraw/zinc/01/77/76/386017776.db2.gz WDGOFXPUDNZSQH-UHFFFAOYSA-N 1 2 232.287 1.539 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)o1 ZINC000295387243 386023425 /nfs/dbraw/zinc/02/34/25/386023425.db2.gz QNRMHXALCVWMLF-WDEREUQCSA-N 1 2 249.314 1.651 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)o1 ZINC000295387243 386023433 /nfs/dbraw/zinc/02/34/33/386023433.db2.gz QNRMHXALCVWMLF-WDEREUQCSA-N 1 2 249.314 1.651 20 0 BDADLO COCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000273700217 386024107 /nfs/dbraw/zinc/02/41/07/386024107.db2.gz JRDSXXMKNFUKLV-UHFFFAOYSA-N 1 2 244.254 1.455 20 0 BDADLO CC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453013592 386024446 /nfs/dbraw/zinc/02/44/46/386024446.db2.gz KECWLKURQAGPII-QWRGUYRKSA-N 1 2 237.347 1.574 20 0 BDADLO CC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453013592 386024453 /nfs/dbraw/zinc/02/44/53/386024453.db2.gz KECWLKURQAGPII-QWRGUYRKSA-N 1 2 237.347 1.574 20 0 BDADLO CC(C)[N@H+](Cc1cn2cccnc2n1)C1COC1 ZINC000295395726 386025411 /nfs/dbraw/zinc/02/54/11/386025411.db2.gz LPAFFFRXPAZKHR-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO CC(C)[N@@H+](Cc1cn2cccnc2n1)C1COC1 ZINC000295395726 386025419 /nfs/dbraw/zinc/02/54/19/386025419.db2.gz LPAFFFRXPAZKHR-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO C[N@H+](Cc1cn2ccccc2n1)C(C)(C)C(N)=O ZINC000295395735 386027594 /nfs/dbraw/zinc/02/75/94/386027594.db2.gz LPEKNEFSYBRKJZ-UHFFFAOYSA-N 1 2 246.314 1.030 20 0 BDADLO C[N@@H+](Cc1cn2ccccc2n1)C(C)(C)C(N)=O ZINC000295395735 386027596 /nfs/dbraw/zinc/02/75/96/386027596.db2.gz LPEKNEFSYBRKJZ-UHFFFAOYSA-N 1 2 246.314 1.030 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cncn2C)c[nH+]1 ZINC000335060757 386027619 /nfs/dbraw/zinc/02/76/19/386027619.db2.gz YQWCTMWHVSZMNI-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@]12CCC(C)(C)C2 ZINC000414193333 386031892 /nfs/dbraw/zinc/03/18/92/386031892.db2.gz TXFOBZWEOLCBOO-CYBMUJFWSA-N 1 2 224.348 1.981 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@]12CCC(C)(C)C2 ZINC000414193333 386031898 /nfs/dbraw/zinc/03/18/98/386031898.db2.gz TXFOBZWEOLCBOO-CYBMUJFWSA-N 1 2 224.348 1.981 20 0 BDADLO Cc1oncc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000189585952 386033395 /nfs/dbraw/zinc/03/33/95/386033395.db2.gz ATVRCMBPVYONPE-NSHDSACASA-N 1 2 236.271 1.789 20 0 BDADLO C[C@@H]1CC[C@@]2(C1)NC(=O)[C@H]1CSCC[N@H+]12 ZINC000414199890 386036840 /nfs/dbraw/zinc/03/68/40/386036840.db2.gz DALHSDOYMKJCOS-FXPVBKGRSA-N 1 2 226.345 1.050 20 0 BDADLO C[C@@H]1CC[C@@]2(C1)NC(=O)[C@H]1CSCC[N@@H+]12 ZINC000414199890 386036849 /nfs/dbraw/zinc/03/68/49/386036849.db2.gz DALHSDOYMKJCOS-FXPVBKGRSA-N 1 2 226.345 1.050 20 0 BDADLO COC(=O)C(C)(C)CC[NH2+]C(C)(C)C(=O)OC ZINC000338546239 386037652 /nfs/dbraw/zinc/03/76/52/386037652.db2.gz MTCQQRMHMSPCLX-UHFFFAOYSA-N 1 2 245.319 1.117 20 0 BDADLO Cc1nocc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000295484417 386039885 /nfs/dbraw/zinc/03/98/85/386039885.db2.gz XHUUBWWDQGJOAX-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1nocc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000295484417 386039890 /nfs/dbraw/zinc/03/98/90/386039890.db2.gz XHUUBWWDQGJOAX-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000295499592 386044415 /nfs/dbraw/zinc/04/44/15/386044415.db2.gz TYNOJDRNYZLDDP-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000295499592 386044419 /nfs/dbraw/zinc/04/44/19/386044419.db2.gz TYNOJDRNYZLDDP-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000273913975 386050900 /nfs/dbraw/zinc/05/09/00/386050900.db2.gz AXXRHCGIIBJNMY-SECBINFHSA-N 1 2 237.328 1.708 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000273913975 386050905 /nfs/dbraw/zinc/05/09/05/386050905.db2.gz AXXRHCGIIBJNMY-SECBINFHSA-N 1 2 237.328 1.708 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000075979467 386106401 /nfs/dbraw/zinc/10/64/01/386106401.db2.gz FUEHFDKNQDAYKO-MWLCHTKSSA-N 1 2 248.330 1.355 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nncn2C)o1 ZINC000038007344 386112724 /nfs/dbraw/zinc/11/27/24/386112724.db2.gz CZFIFFGTVVPWCX-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCC23CCC3)nn1 ZINC000335139555 386115561 /nfs/dbraw/zinc/11/55/61/386115561.db2.gz VCJZZHFGNRKUNL-UHFFFAOYSA-N 1 2 220.320 1.987 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCC23CCC3)nn1 ZINC000335139555 386115566 /nfs/dbraw/zinc/11/55/66/386115566.db2.gz VCJZZHFGNRKUNL-UHFFFAOYSA-N 1 2 220.320 1.987 20 0 BDADLO FC(F)n1cc[nH+]c1Cn1cnc(Cl)n1 ZINC000287363402 386116308 /nfs/dbraw/zinc/11/63/08/386116308.db2.gz YNEYIGHEEPISDY-UHFFFAOYSA-N 1 2 233.609 1.571 20 0 BDADLO Cn1c[nH+]cc1CN1CC2(CC(F)C2)C1 ZINC000647929918 386117986 /nfs/dbraw/zinc/11/79/86/386117986.db2.gz IRBFZLIIPGPVEQ-UHFFFAOYSA-N 1 2 209.268 1.354 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000076296790 386118124 /nfs/dbraw/zinc/11/81/24/386118124.db2.gz DDMUMKDOUKUFEG-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000076296790 386118127 /nfs/dbraw/zinc/11/81/27/386118127.db2.gz DDMUMKDOUKUFEG-WPRPVWTQSA-N 1 2 225.292 1.550 20 0 BDADLO C[NH2+]Cc1noc(COCC2CCCC2)n1 ZINC000414646789 386059590 /nfs/dbraw/zinc/05/95/90/386059590.db2.gz SGAJVQGLUBAZMH-UHFFFAOYSA-N 1 2 225.292 1.496 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000340238689 386060320 /nfs/dbraw/zinc/06/03/20/386060320.db2.gz IRDAJINHWLGDRF-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000340238689 386060327 /nfs/dbraw/zinc/06/03/27/386060327.db2.gz IRDAJINHWLGDRF-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2(C)COC2)c[nH+]1 ZINC000335055381 386071977 /nfs/dbraw/zinc/07/19/77/386071977.db2.gz BEWXAYNWKYTJEZ-UHFFFAOYSA-N 1 2 234.299 1.351 20 0 BDADLO Cc1cnccc1NC(=O)NCCn1cc[nH+]c1 ZINC000121475380 386072450 /nfs/dbraw/zinc/07/24/50/386072450.db2.gz YXHKDIYOGOAMDQ-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO CO[C@H](C[N@@H+]1CCn2cnnc2[C@H]1C)C1CC1 ZINC000425445226 386078642 /nfs/dbraw/zinc/07/86/42/386078642.db2.gz NPWMVFSEHIUTDG-MWLCHTKSSA-N 1 2 236.319 1.080 20 0 BDADLO CO[C@H](C[N@H+]1CCn2cnnc2[C@H]1C)C1CC1 ZINC000425445226 386078646 /nfs/dbraw/zinc/07/86/46/386078646.db2.gz NPWMVFSEHIUTDG-MWLCHTKSSA-N 1 2 236.319 1.080 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc(CO)c1 ZINC000345248963 386079573 /nfs/dbraw/zinc/07/95/73/386079573.db2.gz BVJRPRPFKLHIKT-SNVBAGLBSA-N 1 2 246.314 1.158 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000295757521 386081206 /nfs/dbraw/zinc/08/12/06/386081206.db2.gz NZUJISZWNLWSMV-AAOUONPWSA-N 1 2 237.278 1.774 20 0 BDADLO CC1(C)CC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000189735302 386085123 /nfs/dbraw/zinc/08/51/23/386085123.db2.gz IDMIYZMUCZNXNZ-JTQLQIEISA-N 1 2 209.293 1.457 20 0 BDADLO C[C@H](CF)NC(=O)NCCNc1cccc[nH+]1 ZINC000286970509 386085669 /nfs/dbraw/zinc/08/56/69/386085669.db2.gz DUWQZVOTJASAFZ-SECBINFHSA-N 1 2 240.282 1.151 20 0 BDADLO CCc1nocc1CNc1cccc(CO)[nH+]1 ZINC000453050077 386094326 /nfs/dbraw/zinc/09/43/26/386094326.db2.gz SPCWTSGZZXHYEV-UHFFFAOYSA-N 1 2 233.271 1.736 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccsc1 ZINC000190089466 386147150 /nfs/dbraw/zinc/14/71/50/386147150.db2.gz OFIVJBUYZXVQSK-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccsc1 ZINC000190089466 386147154 /nfs/dbraw/zinc/14/71/54/386147154.db2.gz OFIVJBUYZXVQSK-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000086485634 386152277 /nfs/dbraw/zinc/15/22/77/386152277.db2.gz IEPWCOWNNCRDLC-UHFFFAOYSA-N 1 2 246.266 1.751 20 0 BDADLO CC(C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000335157516 386152592 /nfs/dbraw/zinc/15/25/92/386152592.db2.gz OHZUMLPSDVOMFG-GFCCVEGCSA-N 1 2 233.315 1.211 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CC1(O)CCC(C)CC1 ZINC000305218603 533161076 /nfs/dbraw/zinc/16/10/76/533161076.db2.gz SHCZVSJRFFGCRF-UHFFFAOYSA-N 1 2 243.347 1.469 20 0 BDADLO CCCCNc1cc(NCCF)nc(N)[nH+]1 ZINC000287927579 386156865 /nfs/dbraw/zinc/15/68/65/386156865.db2.gz WYVLLXQCRAQYKG-UHFFFAOYSA-N 1 2 227.287 1.652 20 0 BDADLO CCCCNc1cc(NCCF)[nH+]c(N)n1 ZINC000287927579 386156870 /nfs/dbraw/zinc/15/68/70/386156870.db2.gz WYVLLXQCRAQYKG-UHFFFAOYSA-N 1 2 227.287 1.652 20 0 BDADLO CC(C)=CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287965291 386159859 /nfs/dbraw/zinc/15/98/59/386159859.db2.gz IYWDSRCKZBXYJO-UHFFFAOYSA-N 1 2 221.304 1.815 20 0 BDADLO C[C@H](CF)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000287984296 386159949 /nfs/dbraw/zinc/15/99/49/386159949.db2.gz HAJPVIZZLNMQIH-SECBINFHSA-N 1 2 235.262 1.351 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000190213956 386160442 /nfs/dbraw/zinc/16/04/42/386160442.db2.gz QOLVYCZZMLRBTC-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000190213956 386160445 /nfs/dbraw/zinc/16/04/45/386160445.db2.gz QOLVYCZZMLRBTC-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2csnn2)C1 ZINC000190222894 386163975 /nfs/dbraw/zinc/16/39/75/386163975.db2.gz GHYSUNUQZDRGJS-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2csnn2)C1 ZINC000190222894 386163980 /nfs/dbraw/zinc/16/39/80/386163980.db2.gz GHYSUNUQZDRGJS-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccn1 ZINC000274946448 386165615 /nfs/dbraw/zinc/16/56/15/386165615.db2.gz GGNNOHSZFDUPSB-WCQYABFASA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccccn1 ZINC000274946448 386165616 /nfs/dbraw/zinc/16/56/16/386165616.db2.gz GGNNOHSZFDUPSB-WCQYABFASA-N 1 2 248.326 1.855 20 0 BDADLO C[C@H](CO)CCCNc1nc[nH+]c(N)c1Cl ZINC000235475739 386165926 /nfs/dbraw/zinc/16/59/26/386165926.db2.gz NTWWWVCVNOJILN-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@H](CO)CCCNc1[nH+]cnc(N)c1Cl ZINC000235475739 386165937 /nfs/dbraw/zinc/16/59/37/386165937.db2.gz NTWWWVCVNOJILN-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO CN(CC(C)(C)C)C(=O)NCCn1cc[nH+]c1 ZINC000263714662 386170051 /nfs/dbraw/zinc/17/00/51/386170051.db2.gz DSJJHEGCHLABJT-UHFFFAOYSA-N 1 2 238.335 1.571 20 0 BDADLO Cc1cc[nH+]c(NC[C@H](C)O)c1Br ZINC000235525315 386171116 /nfs/dbraw/zinc/17/11/16/386171116.db2.gz YZFQSWBBNVQSKV-ZETCQYMHSA-N 1 2 245.120 1.945 20 0 BDADLO CCS[C@H]1CCCC[N@H+](Cc2c[nH]nn2)C1 ZINC000340278227 386190730 /nfs/dbraw/zinc/19/07/30/386190730.db2.gz LKVXCHUYXJBKNE-NSHDSACASA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@H]1CCCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000340278227 386190738 /nfs/dbraw/zinc/19/07/38/386190738.db2.gz LKVXCHUYXJBKNE-NSHDSACASA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@H]1CCCC[N@H+](Cc2cnn[nH]2)C1 ZINC000340278227 386190745 /nfs/dbraw/zinc/19/07/45/386190745.db2.gz LKVXCHUYXJBKNE-NSHDSACASA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@H]1CCCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000340278227 386190749 /nfs/dbraw/zinc/19/07/49/386190749.db2.gz LKVXCHUYXJBKNE-NSHDSACASA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@H]1CCCC[N@H+](Cc2cn[nH]n2)C1 ZINC000340278227 386190757 /nfs/dbraw/zinc/19/07/57/386190757.db2.gz LKVXCHUYXJBKNE-NSHDSACASA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@H]1CCCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000340278227 386190760 /nfs/dbraw/zinc/19/07/60/386190760.db2.gz LKVXCHUYXJBKNE-NSHDSACASA-N 1 2 240.376 1.912 20 0 BDADLO CO[C@H](C[N@@H+](CC(F)F)C[C@H](C)O)C1CC1 ZINC000425495775 386176142 /nfs/dbraw/zinc/17/61/42/386176142.db2.gz TUMOYHDLFIQWJQ-WCBMZHEXSA-N 1 2 237.290 1.359 20 0 BDADLO CO[C@H](C[N@H+](CC(F)F)C[C@H](C)O)C1CC1 ZINC000425495775 386176146 /nfs/dbraw/zinc/17/61/46/386176146.db2.gz TUMOYHDLFIQWJQ-WCBMZHEXSA-N 1 2 237.290 1.359 20 0 BDADLO COc1cc(C)[nH+]c(Cn2cc(C(C)=O)nn2)c1 ZINC000311079961 386124997 /nfs/dbraw/zinc/12/49/97/386124997.db2.gz NKMKZXJWOLSWKZ-UHFFFAOYSA-N 1 2 246.270 1.241 20 0 BDADLO COc1c(O)cccc1C[N@H+](C1CC1)C1COC1 ZINC000296059771 386128836 /nfs/dbraw/zinc/12/88/36/386128836.db2.gz PGQLCJWJMVUJCQ-UHFFFAOYSA-N 1 2 249.310 1.764 20 0 BDADLO COc1c(O)cccc1C[N@@H+](C1CC1)C1COC1 ZINC000296059771 386128843 /nfs/dbraw/zinc/12/88/43/386128843.db2.gz PGQLCJWJMVUJCQ-UHFFFAOYSA-N 1 2 249.310 1.764 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2ccncc2F)[nH]1 ZINC000340526332 386129582 /nfs/dbraw/zinc/12/95/82/386129582.db2.gz NBMJKEUZKNEDBG-ZETCQYMHSA-N 1 2 235.266 1.498 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2ccncc2F)[nH]1 ZINC000340525824 386130526 /nfs/dbraw/zinc/13/05/26/386130526.db2.gz NBMJKEUZKNEDBG-SSDOTTSWSA-N 1 2 235.266 1.498 20 0 BDADLO C[NH+](C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000274648298 386135064 /nfs/dbraw/zinc/13/50/64/386135064.db2.gz MRPPYMJEIQBLQE-UHFFFAOYSA-N 1 2 246.669 1.685 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263907643 386191329 /nfs/dbraw/zinc/19/13/29/386191329.db2.gz IOMRJBYRGXDJCE-GHMZBOCLSA-N 1 2 249.314 1.152 20 0 BDADLO CC(C)n1ncnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000647930146 386136862 /nfs/dbraw/zinc/13/68/62/386136862.db2.gz RLZUXRIKSZATFE-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO c1[nH]c(CN2CCOC[C@@H]2c2ccccc2)c[nH+]1 ZINC000334465293 386137010 /nfs/dbraw/zinc/13/70/10/386137010.db2.gz CIXCRLZSZTXENT-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO c1[nH]cc(CN2CCOC[C@@H]2c2ccccc2)[nH+]1 ZINC000334465293 386137015 /nfs/dbraw/zinc/13/70/15/386137015.db2.gz CIXCRLZSZTXENT-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC23CC3)c(C)c[nH+]1 ZINC000643311666 386189415 /nfs/dbraw/zinc/18/94/15/386189415.db2.gz GLMPVXRHDQIUIY-JTQLQIEISA-N 1 2 216.284 1.859 20 0 BDADLO CO[C@@H](CNc1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000338790093 386139955 /nfs/dbraw/zinc/13/99/55/386139955.db2.gz IYVWEFXLDDHWSR-NSHDSACASA-N 1 2 235.331 1.859 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2(CO)CC2)cs1 ZINC000190022746 386142690 /nfs/dbraw/zinc/14/26/90/386142690.db2.gz JKRQQSZTJCEBAU-UHFFFAOYSA-N 1 2 226.345 1.656 20 0 BDADLO Cc1nc(C[N@H+](C)CC2(CO)CC2)cs1 ZINC000190022746 386142695 /nfs/dbraw/zinc/14/26/95/386142695.db2.gz JKRQQSZTJCEBAU-UHFFFAOYSA-N 1 2 226.345 1.656 20 0 BDADLO Nc1[nH+]cnc(NCCCCCCO)c1Cl ZINC000236360979 386259344 /nfs/dbraw/zinc/25/93/44/386259344.db2.gz VLAWIBSLJQFZSK-UHFFFAOYSA-N 1 2 244.726 1.677 20 0 BDADLO Nc1nc[nH+]c(NCCCCCCO)c1Cl ZINC000236360979 386259347 /nfs/dbraw/zinc/25/93/47/386259347.db2.gz VLAWIBSLJQFZSK-UHFFFAOYSA-N 1 2 244.726 1.677 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000339003784 386201920 /nfs/dbraw/zinc/20/19/20/386201920.db2.gz ZFSHXDUZIMQMSX-GFCCVEGCSA-N 1 2 241.310 1.370 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000339003784 386201924 /nfs/dbraw/zinc/20/19/24/386201924.db2.gz ZFSHXDUZIMQMSX-GFCCVEGCSA-N 1 2 241.310 1.370 20 0 BDADLO Cc1cc(N2CC[S@](=O)[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000347050695 386203062 /nfs/dbraw/zinc/20/30/62/386203062.db2.gz UGFWOZFHQQAFFI-IEVXNVSRSA-N 1 2 239.344 1.131 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H]2CCCOC2)n1 ZINC000329739739 386208378 /nfs/dbraw/zinc/20/83/78/386208378.db2.gz VANRFISMSHWRQL-VIFPVBQESA-N 1 2 248.286 1.288 20 0 BDADLO CCCCN(CC)C(=O)NCc1[nH+]ccn1C ZINC000264198715 386214803 /nfs/dbraw/zinc/21/48/03/386214803.db2.gz PUAQMXJJNVREIA-UHFFFAOYSA-N 1 2 238.335 1.752 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000190510482 386216464 /nfs/dbraw/zinc/21/64/64/386216464.db2.gz QABMQCRAOOVION-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO CCN(C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000264253292 386221492 /nfs/dbraw/zinc/22/14/92/386221492.db2.gz ZCUBUIMPGRONKS-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO CSc1ccc(C[N@H+](C)CC(N)=O)s1 ZINC000340557694 386221858 /nfs/dbraw/zinc/22/18/58/386221858.db2.gz AXFUDHXPYULMHO-UHFFFAOYSA-N 1 2 230.358 1.387 20 0 BDADLO CSc1ccc(C[N@@H+](C)CC(N)=O)s1 ZINC000340557694 386221861 /nfs/dbraw/zinc/22/18/61/386221861.db2.gz AXFUDHXPYULMHO-UHFFFAOYSA-N 1 2 230.358 1.387 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC=CCC1 ZINC000264274188 386223963 /nfs/dbraw/zinc/22/39/63/386223963.db2.gz GZJPTWBOPORWKF-JTQLQIEISA-N 1 2 219.288 1.393 20 0 BDADLO COc1cc[nH+]cc1CN1C(=O)CC(C)(C)C1=O ZINC000288670531 386224891 /nfs/dbraw/zinc/22/48/91/386224891.db2.gz SBXNPBUWUIJPJH-UHFFFAOYSA-N 1 2 248.282 1.375 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)c(C)o1 ZINC000264313858 386225907 /nfs/dbraw/zinc/22/59/07/386225907.db2.gz OIDBTKQMTKDSGR-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1nc(NCCOc2ccccc2)nc(N)[nH+]1 ZINC000310688543 386230695 /nfs/dbraw/zinc/23/06/95/386230695.db2.gz QFFQQSDIEKEXPZ-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO Cc1nc(N)nc(NCCOc2ccccc2)[nH+]1 ZINC000310688543 386230698 /nfs/dbraw/zinc/23/06/98/386230698.db2.gz QFFQQSDIEKEXPZ-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO CC[N@H+](CCOC)Cc1c(Cl)cnn1C ZINC000275722008 386232680 /nfs/dbraw/zinc/23/26/80/386232680.db2.gz NSPUGYGEEXHYRY-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CC[N@@H+](CCOC)Cc1c(Cl)cnn1C ZINC000275722008 386232686 /nfs/dbraw/zinc/23/26/86/386232686.db2.gz NSPUGYGEEXHYRY-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO Cc1ccn(C)c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000275746672 386235639 /nfs/dbraw/zinc/23/56/39/386235639.db2.gz COWXZVXVLALHHT-LLVKDONJSA-N 1 2 246.314 1.349 20 0 BDADLO Cc1nc(C[N@H+](C)CCO)c(C)s1 ZINC000336643740 386242676 /nfs/dbraw/zinc/24/26/76/386242676.db2.gz KLJWBLFYZKUQRK-UHFFFAOYSA-N 1 2 200.307 1.184 20 0 BDADLO Cc1nc(C[N@@H+](C)CCO)c(C)s1 ZINC000336643740 386242679 /nfs/dbraw/zinc/24/26/79/386242679.db2.gz KLJWBLFYZKUQRK-UHFFFAOYSA-N 1 2 200.307 1.184 20 0 BDADLO CSC[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264513730 386242890 /nfs/dbraw/zinc/24/28/90/386242890.db2.gz YMQHSYMSUZFQDF-QMMMGPOBSA-N 1 2 227.333 1.035 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000288961942 386243540 /nfs/dbraw/zinc/24/35/40/386243540.db2.gz BAGZRFXCWPRFIZ-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000288961942 386243545 /nfs/dbraw/zinc/24/35/45/386243545.db2.gz BAGZRFXCWPRFIZ-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO COCc1cccc(C[NH+]2CC(NC(C)=O)C2)c1 ZINC000297315442 386245183 /nfs/dbraw/zinc/24/51/83/386245183.db2.gz CEXSSUJSTLFRHN-UHFFFAOYSA-N 1 2 248.326 1.153 20 0 BDADLO CSCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000264537035 386246538 /nfs/dbraw/zinc/24/65/38/386246538.db2.gz JRLXDGWPPXAZOO-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000275887048 386248790 /nfs/dbraw/zinc/24/87/90/386248790.db2.gz RJLSVXJXPALGJZ-PWSUYJOCSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000275887048 386248796 /nfs/dbraw/zinc/24/87/96/386248796.db2.gz RJLSVXJXPALGJZ-PWSUYJOCSA-N 1 2 240.303 1.219 20 0 BDADLO C[C@H](C[NH3+])[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000347102695 386248965 /nfs/dbraw/zinc/24/89/65/386248965.db2.gz MWZJCGVSYBLTCK-GFCCVEGCSA-N 1 2 244.342 1.651 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000336643582 386250521 /nfs/dbraw/zinc/25/05/21/386250521.db2.gz DBGJGEMNTYJANB-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000336643582 386250525 /nfs/dbraw/zinc/25/05/25/386250525.db2.gz DBGJGEMNTYJANB-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1noc(C)c1CN1CCc2[nH+]c[nH]c2C1 ZINC000647932795 386253063 /nfs/dbraw/zinc/25/30/63/386253063.db2.gz QMLJXFDDQMWGTB-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cccc(C)c2F)C1 ZINC000297409326 386255007 /nfs/dbraw/zinc/25/50/07/386255007.db2.gz LHBWSTXCCCIBDG-UHFFFAOYSA-N 1 2 236.290 1.454 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)CF)[nH+]1 ZINC000288387210 386194134 /nfs/dbraw/zinc/19/41/34/386194134.db2.gz ZXNVPENVIXDFMV-QMMMGPOBSA-N 1 2 241.314 1.831 20 0 BDADLO CC(C)c1nc(N[C@@H](C)CF)nc(N(C)C)[nH+]1 ZINC000288387210 386194139 /nfs/dbraw/zinc/19/41/39/386194139.db2.gz ZXNVPENVIXDFMV-QMMMGPOBSA-N 1 2 241.314 1.831 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000288409207 386196893 /nfs/dbraw/zinc/19/68/93/386196893.db2.gz ISZYSHFBCFKXBU-JTQLQIEISA-N 1 2 234.278 1.715 20 0 BDADLO CCN(CCOC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000264002774 386198777 /nfs/dbraw/zinc/19/87/77/386198777.db2.gz LONQZSLOIKTYGX-UHFFFAOYSA-N 1 2 247.298 1.443 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1ccco1 ZINC000289091207 386259296 /nfs/dbraw/zinc/25/92/96/386259296.db2.gz LHKUDJLIOFVIQX-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1ccco1 ZINC000289091207 386259298 /nfs/dbraw/zinc/25/92/98/386259298.db2.gz LHKUDJLIOFVIQX-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000289299254 386280641 /nfs/dbraw/zinc/28/06/41/386280641.db2.gz CHDUHJGORCLGKF-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000289299254 386280644 /nfs/dbraw/zinc/28/06/44/386280644.db2.gz CHDUHJGORCLGKF-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC23CCC3)nn1 ZINC000414395887 386284015 /nfs/dbraw/zinc/28/40/15/386284015.db2.gz NIKDVXDBFFEQJF-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC23CCC3)nn1 ZINC000414395887 386284019 /nfs/dbraw/zinc/28/40/19/386284019.db2.gz NIKDVXDBFFEQJF-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cnc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000336663517 386285733 /nfs/dbraw/zinc/28/57/33/386285733.db2.gz SRXWTJHIJAMOQK-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)nn1 ZINC000414397708 386286773 /nfs/dbraw/zinc/28/67/73/386286773.db2.gz PPFCQMJCJGIMOB-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)nn1 ZINC000414397708 386286776 /nfs/dbraw/zinc/28/67/76/386286776.db2.gz PPFCQMJCJGIMOB-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)nn1 ZINC000414396701 386288343 /nfs/dbraw/zinc/28/83/43/386288343.db2.gz PNSMLDOOVJZMKD-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)nn1 ZINC000414396701 386288349 /nfs/dbraw/zinc/28/83/49/386288349.db2.gz PNSMLDOOVJZMKD-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)nn1 ZINC000414396700 386289211 /nfs/dbraw/zinc/28/92/11/386289211.db2.gz PNSMLDOOVJZMKD-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)nn1 ZINC000414396700 386289218 /nfs/dbraw/zinc/28/92/18/386289218.db2.gz PNSMLDOOVJZMKD-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO COCc1cc[nH+]c(NCc2nc(C)c[nH]2)c1 ZINC000628326479 386289638 /nfs/dbraw/zinc/28/96/38/386289638.db2.gz IOOVNKLLJOBARO-UHFFFAOYSA-N 1 2 232.287 1.872 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000334480259 386291847 /nfs/dbraw/zinc/29/18/47/386291847.db2.gz USGBSISRRGZCJM-BETUJISGSA-N 1 2 237.299 1.442 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000334480259 386291850 /nfs/dbraw/zinc/29/18/50/386291850.db2.gz USGBSISRRGZCJM-BETUJISGSA-N 1 2 237.299 1.442 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NC[C@H]1CC12CC2 ZINC000416397365 386292193 /nfs/dbraw/zinc/29/21/93/386292193.db2.gz JHFACFWULNVICF-LLVKDONJSA-N 1 2 248.330 1.373 20 0 BDADLO Cn1ncc(C[N@@H+]2CCc3ccsc3C2)n1 ZINC000289373857 386292947 /nfs/dbraw/zinc/29/29/47/386292947.db2.gz ORCVIGMVEQGUNM-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1ncc(C[N@H+]2CCc3ccsc3C2)n1 ZINC000289373857 386292955 /nfs/dbraw/zinc/29/29/55/386292955.db2.gz ORCVIGMVEQGUNM-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO CCCCN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000276264913 386294088 /nfs/dbraw/zinc/29/40/88/386294088.db2.gz NHUOJIMTVYDGEW-UHFFFAOYSA-N 1 2 234.307 1.182 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccsc1 ZINC000298091478 386298736 /nfs/dbraw/zinc/29/87/36/386298736.db2.gz NKWJUADYXKLHOG-UHFFFAOYSA-N 1 2 249.339 1.683 20 0 BDADLO COCCN(CCOC)c1[nH]c2ccccc2[nH+]1 ZINC000298131192 386301148 /nfs/dbraw/zinc/30/11/48/386301148.db2.gz JTEIIHPHTZDUIL-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(F)cn2)CCO1 ZINC000276326053 386301483 /nfs/dbraw/zinc/30/14/83/386301483.db2.gz GFDIVCYVHDSKDO-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(F)cn2)CCO1 ZINC000276326053 386301488 /nfs/dbraw/zinc/30/14/88/386301488.db2.gz GFDIVCYVHDSKDO-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335266072 386302762 /nfs/dbraw/zinc/30/27/62/386302762.db2.gz RTCAKYFFPPYYAG-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335266072 386302765 /nfs/dbraw/zinc/30/27/65/386302765.db2.gz RTCAKYFFPPYYAG-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO CC(C)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000298146111 386303322 /nfs/dbraw/zinc/30/33/22/386303322.db2.gz WYFKCBITNPXXIE-UHFFFAOYSA-N 1 2 231.299 1.744 20 0 BDADLO CCOC[C@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000081522087 386304216 /nfs/dbraw/zinc/30/42/16/386304216.db2.gz NZMUNZPYVOKSLD-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO CCOC[C@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000081522087 386304218 /nfs/dbraw/zinc/30/42/18/386304218.db2.gz NZMUNZPYVOKSLD-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO CC[C@H](O)CSc1[nH+]cnc2c1cnn2C ZINC000298223551 386311628 /nfs/dbraw/zinc/31/16/28/386311628.db2.gz HPRNROSGUFRKHI-ZETCQYMHSA-N 1 2 238.316 1.226 20 0 BDADLO CC(C)n1cc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000276391906 386315038 /nfs/dbraw/zinc/31/50/38/386315038.db2.gz RKTBHMZWPGOYOG-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000265215086 386318454 /nfs/dbraw/zinc/31/84/54/386318454.db2.gz FMKKVCLFQACJQN-LBPRGKRZSA-N 1 2 249.289 1.382 20 0 BDADLO Cc1nnc(CNc2cccc[nH+]2)n1C1CC1 ZINC000289513633 386320137 /nfs/dbraw/zinc/32/01/37/386320137.db2.gz CPGMDEBPLXANRG-UHFFFAOYSA-N 1 2 229.287 1.929 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000298286053 386320667 /nfs/dbraw/zinc/32/06/67/386320667.db2.gz PJSDXXRYXRTKIV-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000298286053 386320671 /nfs/dbraw/zinc/32/06/71/386320671.db2.gz PJSDXXRYXRTKIV-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO Cc1cncc(CN(C)Cc2[nH+]ccn2C)c1 ZINC000276056857 386268584 /nfs/dbraw/zinc/26/85/84/386268584.db2.gz PLQUMXGKODQEHI-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC(F)(F)C1 ZINC000339162382 386271185 /nfs/dbraw/zinc/27/11/85/386271185.db2.gz ASXPLVYEFDMQBZ-UHFFFAOYSA-N 1 2 243.257 1.220 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)nc1 ZINC000339171390 386275411 /nfs/dbraw/zinc/27/54/11/386275411.db2.gz OEWQXZJJFGKJPA-OKILXGFUSA-N 1 2 248.326 1.244 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)nc1 ZINC000339171390 386275416 /nfs/dbraw/zinc/27/54/16/386275416.db2.gz OEWQXZJJFGKJPA-OKILXGFUSA-N 1 2 248.326 1.244 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000339180307 386277810 /nfs/dbraw/zinc/27/78/10/386277810.db2.gz GYEBAYIZQLJTGK-GFCCVEGCSA-N 1 2 245.282 1.299 20 0 BDADLO Cc1ccnc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000265497832 386344325 /nfs/dbraw/zinc/34/43/25/386344325.db2.gz HNALMZKEPMKNJE-JTQLQIEISA-N 1 2 231.303 1.730 20 0 BDADLO COC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265501663 386345726 /nfs/dbraw/zinc/34/57/26/386345726.db2.gz XYGINLVKRGYABM-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cccs1 ZINC000298479563 386351869 /nfs/dbraw/zinc/35/18/69/386351869.db2.gz FHCNBRWUVTYVHD-MRVPVSSYSA-N 1 2 249.343 1.920 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC[C@@H]1CCCCO1 ZINC000276612198 386354007 /nfs/dbraw/zinc/35/40/07/386354007.db2.gz PPTREMYVUCXCSC-ITKZLYELSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1ccncc1CCC[NH2+]CC(F)(F)CO ZINC000289796441 386354350 /nfs/dbraw/zinc/35/43/50/386354350.db2.gz SDFZVZXXTUMBBY-UHFFFAOYSA-N 1 2 244.285 1.540 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1F)c1ncnn1C ZINC000276615248 386354590 /nfs/dbraw/zinc/35/45/90/386354590.db2.gz DLLLQQDZAUZWEE-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[N@H+](Cc1nnnn1C1CC1)CC(C)(C)C ZINC000336689650 386354786 /nfs/dbraw/zinc/35/47/86/386354786.db2.gz ZTVRGTQDARRIOW-UHFFFAOYSA-N 1 2 223.324 1.486 20 0 BDADLO C[N@@H+](Cc1nnnn1C1CC1)CC(C)(C)C ZINC000336689650 386354790 /nfs/dbraw/zinc/35/47/90/386354790.db2.gz ZTVRGTQDARRIOW-UHFFFAOYSA-N 1 2 223.324 1.486 20 0 BDADLO CSCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276628042 386356878 /nfs/dbraw/zinc/35/68/78/386356878.db2.gz PCJKJVOWRFUMII-JTQLQIEISA-N 1 2 241.360 1.976 20 0 BDADLO C[C@@H](N(C)C(=O)CCc1c[nH+]cn1C)C1(C)CC1 ZINC000276670397 386361463 /nfs/dbraw/zinc/36/14/63/386361463.db2.gz ZDRNZFVMQNANMQ-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ncnn1C ZINC000276703202 386365624 /nfs/dbraw/zinc/36/56/24/386365624.db2.gz NYZXPBICORPAFR-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)NC2CC2)n1 ZINC000347362379 386365933 /nfs/dbraw/zinc/36/59/33/386365933.db2.gz MCKGSXBXVGXKNJ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)NC2CC2)n1 ZINC000347362379 386365940 /nfs/dbraw/zinc/36/59/40/386365940.db2.gz MCKGSXBXVGXKNJ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CCC[C@H]1CCC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000336690269 386371344 /nfs/dbraw/zinc/37/13/44/386371344.db2.gz AUVDMOLSXZPGOX-JTQLQIEISA-N 1 2 249.314 1.485 20 0 BDADLO C[C@H](CNC(=O)C[C@@H]1C=CCC1)Cn1cc[nH+]c1 ZINC000265866581 386381082 /nfs/dbraw/zinc/38/10/82/386381082.db2.gz XXAWLIGDCZUUHR-CHWSQXEVSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](C)(F)C2)nn1C ZINC000347395171 386382247 /nfs/dbraw/zinc/38/22/47/386382247.db2.gz SLYWDRPVKODVBH-NSHDSACASA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](C)(F)C2)nn1C ZINC000347395171 386382252 /nfs/dbraw/zinc/38/22/52/386382252.db2.gz SLYWDRPVKODVBH-NSHDSACASA-N 1 2 211.284 1.662 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347398585 386384649 /nfs/dbraw/zinc/38/46/49/386384649.db2.gz YBMSFNDXYQFIQR-LBPRGKRZSA-N 1 2 228.311 1.289 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347398585 386384656 /nfs/dbraw/zinc/38/46/56/386384656.db2.gz YBMSFNDXYQFIQR-LBPRGKRZSA-N 1 2 228.311 1.289 20 0 BDADLO CO[C@@H](C(=O)Nc1ccc[nH+]c1N(C)C)C1CC1 ZINC000298781289 386384658 /nfs/dbraw/zinc/38/46/58/386384658.db2.gz DMEPZRRAJGAUIF-LLVKDONJSA-N 1 2 249.314 1.511 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C(C)C)o1 ZINC000336683942 386331678 /nfs/dbraw/zinc/33/16/78/386331678.db2.gz UESASRXSWLJQHD-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C(C)C)o1 ZINC000336683942 386331679 /nfs/dbraw/zinc/33/16/79/386331679.db2.gz UESASRXSWLJQHD-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000276492336 386332923 /nfs/dbraw/zinc/33/29/23/386332923.db2.gz GNZMNXWYLKITOF-JTQLQIEISA-N 1 2 232.287 1.865 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccn1 ZINC000339269590 386334266 /nfs/dbraw/zinc/33/42/66/386334266.db2.gz FFLTZGNHXGUNOD-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCCC(=O)N1 ZINC000289642115 386337386 /nfs/dbraw/zinc/33/73/86/386337386.db2.gz HCGKINLTWHQJKX-SNVBAGLBSA-N 1 2 247.298 1.387 20 0 BDADLO CSC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000266507806 386442462 /nfs/dbraw/zinc/44/24/62/386442462.db2.gz GJBXIFXQXLGLEX-UHFFFAOYSA-N 1 2 227.333 1.590 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cn(C)nn2)ccn1 ZINC000347541815 386443238 /nfs/dbraw/zinc/44/32/38/386443238.db2.gz OMHGHTSALFBQGU-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000339474236 386447342 /nfs/dbraw/zinc/44/73/42/386447342.db2.gz WYAAEUDGIYZFRA-QWRGUYRKSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000347546294 386448586 /nfs/dbraw/zinc/44/85/86/386448586.db2.gz FGIRMNHFPQDFOZ-ZJUUUORDSA-N 1 2 234.299 1.974 20 0 BDADLO CCc1cc(Nc2cn[nH]c2)nc(C)[nH+]1 ZINC000266011895 386389838 /nfs/dbraw/zinc/38/98/38/386389838.db2.gz NORTVSBYFAAEOE-UHFFFAOYSA-N 1 2 203.249 1.814 20 0 BDADLO CCC[C@@](C)([NH2+]CCc1cn[nH]c1)C(=O)OC ZINC000290063064 386391216 /nfs/dbraw/zinc/39/12/16/386391216.db2.gz PMKQHUUSAYSUON-GFCCVEGCSA-N 1 2 239.319 1.274 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000266019127 386391480 /nfs/dbraw/zinc/39/14/80/386391480.db2.gz ACRFGENNFOGHQA-PHIMTYICSA-N 1 2 233.315 1.388 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnc(C)cn1 ZINC000336705440 386395970 /nfs/dbraw/zinc/39/59/70/386395970.db2.gz QKNBVAYFLCNSNF-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnc(C)cn1 ZINC000336705440 386395973 /nfs/dbraw/zinc/39/59/73/386395973.db2.gz QKNBVAYFLCNSNF-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO Cn1ncc(C[N@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC000290119225 386396488 /nfs/dbraw/zinc/39/64/88/386396488.db2.gz YOIVSWNWLZQCMM-CQSZACIVSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1ncc(C[N@@H+](C)[C@@H]2CCc3ccccc32)n1 ZINC000290119225 386396494 /nfs/dbraw/zinc/39/64/94/386396494.db2.gz YOIVSWNWLZQCMM-CQSZACIVSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cc(F)ncc1F ZINC000290133119 386398604 /nfs/dbraw/zinc/39/86/04/386398604.db2.gz QELKTYAXBGTMRD-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000339390739 386400645 /nfs/dbraw/zinc/40/06/45/386400645.db2.gz HYIBZZUYGMTZNB-GFCCVEGCSA-N 1 2 246.314 1.957 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH+]cn2C)cs1 ZINC000336701901 386404433 /nfs/dbraw/zinc/40/44/33/386404433.db2.gz MGRSRERPELCFSR-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000266164046 386405459 /nfs/dbraw/zinc/40/54/59/386405459.db2.gz OTMJQTXYMWTLBO-GFCCVEGCSA-N 1 2 235.287 1.308 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2COCCO2)cs1 ZINC000336702383 386408659 /nfs/dbraw/zinc/40/86/59/386408659.db2.gz NMVHHDAYZYSDNI-LLVKDONJSA-N 1 2 242.344 1.299 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2COCCO2)cs1 ZINC000336702383 386408665 /nfs/dbraw/zinc/40/86/65/386408665.db2.gz NMVHHDAYZYSDNI-LLVKDONJSA-N 1 2 242.344 1.299 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@@H]1C1CC1 ZINC000347450767 386409522 /nfs/dbraw/zinc/40/95/22/386409522.db2.gz JUTNATZJVCPICH-UTUOFQBUSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000237781629 386411579 /nfs/dbraw/zinc/41/15/79/386411579.db2.gz JGUZXEVORDINOK-ZDUSSCGKSA-N 1 2 231.299 1.541 20 0 BDADLO Cc1nc(CN2CCc3[nH+]c[nH]c3C2)oc1C ZINC000647933828 386421082 /nfs/dbraw/zinc/42/10/82/386421082.db2.gz DTCRJKMRCLWIPB-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO CSCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000347491905 386421345 /nfs/dbraw/zinc/42/13/45/386421345.db2.gz HGFOSYFHGFHOEW-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO CN(C)c1ccc(CNC(=O)CC2CCC2)c[nH+]1 ZINC000266279573 386421909 /nfs/dbraw/zinc/42/19/09/386421909.db2.gz UIIIRJZIXQTYRF-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)nn1 ZINC000414429668 386423106 /nfs/dbraw/zinc/42/31/06/386423106.db2.gz CRFAHHRZVSKZHX-FZMZJTMJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)nn1 ZINC000414429668 386423111 /nfs/dbraw/zinc/42/31/11/386423111.db2.gz CRFAHHRZVSKZHX-FZMZJTMJSA-N 1 2 247.342 1.784 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCCO1 ZINC000277301949 386424231 /nfs/dbraw/zinc/42/42/31/386424231.db2.gz BAQKQJHNEKVOJC-SGUJLRQBSA-N 1 2 235.287 1.108 20 0 BDADLO CC[C@@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000277319680 386427781 /nfs/dbraw/zinc/42/77/81/386427781.db2.gz UHYDNMATDKLROP-SECBINFHSA-N 1 2 209.293 1.473 20 0 BDADLO Cc1nnc(N2CCn3c[nH+]cc3C2)s1 ZINC000290690499 386467689 /nfs/dbraw/zinc/46/76/89/386467689.db2.gz MKILRLRJIZGRFN-UHFFFAOYSA-N 1 2 221.289 1.063 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1cocn1 ZINC000277796288 386468073 /nfs/dbraw/zinc/46/80/73/386468073.db2.gz XLSAUGXSNRKNBF-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1cocn1 ZINC000277796288 386468081 /nfs/dbraw/zinc/46/80/81/386468081.db2.gz XLSAUGXSNRKNBF-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CC(C)(O)C2)o1 ZINC000639254396 386470273 /nfs/dbraw/zinc/47/02/73/386470273.db2.gz RSQHQUAYSGQTAO-GXSJLCMTSA-N 1 2 221.300 1.970 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CCCCO1 ZINC000094817322 386471503 /nfs/dbraw/zinc/47/15/03/386471503.db2.gz YVUMQQLYWRFILQ-JTQLQIEISA-N 1 2 237.303 1.327 20 0 BDADLO O=S1CC[NH+]([C@@H]2/C=C/CCCCC2)CC1 ZINC000336323189 386477488 /nfs/dbraw/zinc/47/74/88/386477488.db2.gz FKKDOPHGAHHDSS-FVOPLDGLSA-N 1 2 227.373 1.940 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccn1 ZINC000299665840 386479417 /nfs/dbraw/zinc/47/94/17/386479417.db2.gz PVKISVZOWKSBBR-LLVKDONJSA-N 1 2 244.298 1.546 20 0 BDADLO COC(=O)N1CC([NH2+][C@H](C)c2cc(C)on2)C1 ZINC000290858318 386480212 /nfs/dbraw/zinc/48/02/12/386480212.db2.gz ZYMAIYGNXQNWNO-MRVPVSSYSA-N 1 2 239.275 1.084 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCc1c[nH+]cn1C ZINC000519535404 386481331 /nfs/dbraw/zinc/48/13/31/386481331.db2.gz GNYVAPHJTQGRMJ-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1nscc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290875698 386484059 /nfs/dbraw/zinc/48/40/59/386484059.db2.gz BKJNMGMJOKXKQF-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339580578 386486338 /nfs/dbraw/zinc/48/63/38/386486338.db2.gz IOMCCDQKJXRAFU-VHSXEESVSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000339580578 386486340 /nfs/dbraw/zinc/48/63/40/386486340.db2.gz IOMCCDQKJXRAFU-VHSXEESVSA-N 1 2 208.309 1.528 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000335432088 386488937 /nfs/dbraw/zinc/48/89/37/386488937.db2.gz YGIVPNNSPJNUOQ-TXEJJXNPSA-N 1 2 219.288 1.347 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000335432088 386488942 /nfs/dbraw/zinc/48/89/42/386488942.db2.gz YGIVPNNSPJNUOQ-TXEJJXNPSA-N 1 2 219.288 1.347 20 0 BDADLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)co1 ZINC000187189660 386489492 /nfs/dbraw/zinc/48/94/92/386489492.db2.gz SACVWMMJARBTNP-SNVBAGLBSA-N 1 2 247.298 1.851 20 0 BDADLO COc1cc(CNc2cc(C)[nH+]cn2)ccn1 ZINC000062054992 386490628 /nfs/dbraw/zinc/49/06/28/386490628.db2.gz MKQKMOYSRTYNMM-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290971622 386493924 /nfs/dbraw/zinc/49/39/24/386493924.db2.gz TWTGEAHZDVYRIW-VIFPVBQESA-N 1 2 219.288 1.271 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(O)CCCCC2)c[nH+]1 ZINC000267106421 386494454 /nfs/dbraw/zinc/49/44/54/386494454.db2.gz AXMGLQGCUNPYJF-UHFFFAOYSA-N 1 2 237.303 1.143 20 0 BDADLO CCOc1nnc(C[N@H+](CC)[C@@H](C)CO)s1 ZINC000339626315 386495189 /nfs/dbraw/zinc/49/51/89/386495189.db2.gz ZWEGDQZFHHSZEZ-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](CC)[C@@H](C)CO)s1 ZINC000339626315 386495194 /nfs/dbraw/zinc/49/51/94/386495194.db2.gz ZWEGDQZFHHSZEZ-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO CC(C)c1noc(OCc2c[nH+]cn2C)n1 ZINC000267127254 386497918 /nfs/dbraw/zinc/49/79/18/386497918.db2.gz GHXBPGDBSJXECT-UHFFFAOYSA-N 1 2 222.248 1.506 20 0 BDADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000519621007 386509550 /nfs/dbraw/zinc/50/95/50/386509550.db2.gz VUYKPDCOUHUNMP-UWVGGRQHSA-N 1 2 229.287 1.730 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccccn1)C1CC1 ZINC000227766885 386512247 /nfs/dbraw/zinc/51/22/47/386512247.db2.gz FFQKYLORHJMFJE-GFCCVEGCSA-N 1 2 234.299 1.165 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000335448107 386517924 /nfs/dbraw/zinc/51/79/24/386517924.db2.gz STONSIMCOWJJOP-ONGXEEELSA-N 1 2 249.314 1.997 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000291186558 386522152 /nfs/dbraw/zinc/52/21/52/386522152.db2.gz ILLCONHYOJRHGV-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000291186558 386522155 /nfs/dbraw/zinc/52/21/55/386522155.db2.gz ILLCONHYOJRHGV-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO Cn1ncc2c1nc(N[C@@H]1CC1(C)C)[nH+]c2N ZINC000278415536 386523022 /nfs/dbraw/zinc/52/30/22/386523022.db2.gz OFBGNKJFTFGXHE-SSDOTTSWSA-N 1 2 232.291 1.156 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@@H](C)C(C)(F)F ZINC000394817745 386453557 /nfs/dbraw/zinc/45/35/57/386453557.db2.gz FCOUHCRGQAOAOW-QMMMGPOBSA-N 1 2 217.263 1.862 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000277654032 386456361 /nfs/dbraw/zinc/45/63/61/386456361.db2.gz FGZQHDWDXQNRST-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)cn1 ZINC000347661816 386460263 /nfs/dbraw/zinc/46/02/63/386460263.db2.gz ZGLWCBYSZRPMOJ-CYBMUJFWSA-N 1 2 248.326 1.781 20 0 BDADLO CCc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)cn1 ZINC000347661816 386460266 /nfs/dbraw/zinc/46/02/66/386460266.db2.gz ZGLWCBYSZRPMOJ-CYBMUJFWSA-N 1 2 248.326 1.781 20 0 BDADLO CO[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000277720898 386462634 /nfs/dbraw/zinc/46/26/34/386462634.db2.gz HUNVRJMJTDQVDP-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO CO[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000277720898 386462641 /nfs/dbraw/zinc/46/26/41/386462641.db2.gz HUNVRJMJTDQVDP-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO COC[C@@H](C)[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000337017619 386576558 /nfs/dbraw/zinc/57/65/58/386576558.db2.gz NGRJIJBSCMBHNR-MRVPVSSYSA-N 1 2 237.278 1.581 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)s1 ZINC000291730280 386576900 /nfs/dbraw/zinc/57/69/00/386576900.db2.gz JMQUGMMLHRDSKH-SNVBAGLBSA-N 1 2 249.343 1.490 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](n3cccn3)C2)s1 ZINC000291730280 386576905 /nfs/dbraw/zinc/57/69/05/386576905.db2.gz JMQUGMMLHRDSKH-SNVBAGLBSA-N 1 2 249.343 1.490 20 0 BDADLO COCCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900601 533178989 /nfs/dbraw/zinc/17/89/89/533178989.db2.gz NYWDKUVZNMOFKM-SNAWJCMRSA-N 1 2 237.303 1.354 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccco1 ZINC000278805655 386585945 /nfs/dbraw/zinc/58/59/45/386585945.db2.gz ZRTXBDAGRGWHNV-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000291279101 386530948 /nfs/dbraw/zinc/53/09/48/386530948.db2.gz ONFVTPMBZFPXBO-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1ccncc1 ZINC000291279101 386530954 /nfs/dbraw/zinc/53/09/54/386530954.db2.gz ONFVTPMBZFPXBO-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3cocn3)C2)c1 ZINC000291343468 386535382 /nfs/dbraw/zinc/53/53/82/386535382.db2.gz WGBBSXNFVDUAQC-LLVKDONJSA-N 1 2 218.260 1.318 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3cocn3)C2)c1 ZINC000291343468 386535387 /nfs/dbraw/zinc/53/53/87/386535387.db2.gz WGBBSXNFVDUAQC-LLVKDONJSA-N 1 2 218.260 1.318 20 0 BDADLO CC(C)N(C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000267394851 386536082 /nfs/dbraw/zinc/53/60/82/386536082.db2.gz XKNBYWIYRCOWLV-UHFFFAOYSA-N 1 2 236.319 1.503 20 0 BDADLO Cn1nccc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415061714 386539968 /nfs/dbraw/zinc/53/99/68/386539968.db2.gz DDVQYEGMOVEDGO-LBPRGKRZSA-N 1 2 222.336 1.027 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399393332 386544742 /nfs/dbraw/zinc/54/47/42/386544742.db2.gz DKUIZROCWBRNEK-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399393332 386544748 /nfs/dbraw/zinc/54/47/48/386544748.db2.gz DKUIZROCWBRNEK-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cn[nH]c2)n1C ZINC000336780542 386546982 /nfs/dbraw/zinc/54/69/82/386546982.db2.gz RPMBLIJYEKHCTG-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)c2cn[nH]c2)n1C ZINC000336780542 386546985 /nfs/dbraw/zinc/54/69/85/386546985.db2.gz RPMBLIJYEKHCTG-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1ccc(C[N@@H+](C(C)C)C2COC2)nn1 ZINC000414453128 386548557 /nfs/dbraw/zinc/54/85/57/386548557.db2.gz CDALRRVBXWIGDN-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@H+](C(C)C)C2COC2)nn1 ZINC000414453128 386548561 /nfs/dbraw/zinc/54/85/61/386548561.db2.gz CDALRRVBXWIGDN-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(O)c(CN2CCn3c[nH+]cc3C2)n1 ZINC000291460922 386548511 /nfs/dbraw/zinc/54/85/11/386548511.db2.gz DDSUJCSKSAERKZ-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)c1cccnc1 ZINC000278561353 386550062 /nfs/dbraw/zinc/55/00/62/386550062.db2.gz HUHZRBGUFYVUMF-VIFPVBQESA-N 1 2 244.298 1.533 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC2(CC2)CC1 ZINC000366681090 386551181 /nfs/dbraw/zinc/55/11/81/386551181.db2.gz MGXQJONPHIPZNN-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO Cc1csc(CN2CCn3c[nH+]cc3C2)n1 ZINC000291510760 386554211 /nfs/dbraw/zinc/55/42/11/386554211.db2.gz IGXONRHSLAKCHV-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CO[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000267923942 386597604 /nfs/dbraw/zinc/59/76/04/386597604.db2.gz DJUROCMYPNRLTF-JTQLQIEISA-N 1 2 229.283 1.855 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1(C)CCC1 ZINC000267627550 386562365 /nfs/dbraw/zinc/56/23/65/386562365.db2.gz PBXGHZDLWSQTAM-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000278668857 386563873 /nfs/dbraw/zinc/56/38/73/386563873.db2.gz PRRWUGAPGUXVBC-KOLCDFICSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000278668857 386563879 /nfs/dbraw/zinc/56/38/79/386563879.db2.gz PRRWUGAPGUXVBC-KOLCDFICSA-N 1 2 235.331 1.956 20 0 BDADLO CC(C)(NC(=O)CCC1CC1)c1[nH]cc[nH+]1 ZINC000519826581 386565502 /nfs/dbraw/zinc/56/55/02/386565502.db2.gz LNXGWBHDHHMPED-UHFFFAOYSA-N 1 2 221.304 1.951 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccoc1 ZINC000278705649 386569873 /nfs/dbraw/zinc/56/98/73/386569873.db2.gz BMBSYHSOTWHZGD-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccoc1 ZINC000278705649 386569880 /nfs/dbraw/zinc/56/98/80/386569880.db2.gz BMBSYHSOTWHZGD-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO COC[C@H]([NH2+]Cc1cn[nH]c1C)[C@H]1CCCO1 ZINC000278710779 386570262 /nfs/dbraw/zinc/57/02/62/386570262.db2.gz RTHJGSGLBHAGPC-NWDGAFQWSA-N 1 2 239.319 1.002 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C(F)(F)F ZINC000291728933 386573599 /nfs/dbraw/zinc/57/35/99/386573599.db2.gz JIOFWSBTYGMJCF-LURJTMIESA-N 1 2 235.209 1.328 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C(F)(F)F ZINC000291728933 386573604 /nfs/dbraw/zinc/57/36/04/386573604.db2.gz JIOFWSBTYGMJCF-LURJTMIESA-N 1 2 235.209 1.328 20 0 BDADLO COC(=O)[C@]1([NH2+]CCCC(C)(C)C)CCOC1 ZINC000337170148 386630761 /nfs/dbraw/zinc/63/07/61/386630761.db2.gz CPWNPBSSNQSYCV-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccco1 ZINC000279140831 386636475 /nfs/dbraw/zinc/63/64/75/386636475.db2.gz GEPSUNLSLNYGRO-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cncn1CC ZINC000417745634 386637989 /nfs/dbraw/zinc/63/79/89/386637989.db2.gz OJRBFVDQULHKTO-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cncn1CC ZINC000417745634 386637996 /nfs/dbraw/zinc/63/79/96/386637996.db2.gz OJRBFVDQULHKTO-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1Cc1c[nH+]cn1CC ZINC000417745634 386637999 /nfs/dbraw/zinc/63/79/99/386637999.db2.gz OJRBFVDQULHKTO-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1ccsc1C[NH+]1CC(O)(C(F)F)C1 ZINC000335511738 386647756 /nfs/dbraw/zinc/64/77/56/386647756.db2.gz HUIOVTBAGQKRJV-UHFFFAOYSA-N 1 2 233.283 1.868 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000278952106 386609530 /nfs/dbraw/zinc/60/95/30/386609530.db2.gz YXKKECNFYHAUIL-MRVPVSSYSA-N 1 2 243.253 1.958 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000278952106 386609536 /nfs/dbraw/zinc/60/95/36/386609536.db2.gz YXKKECNFYHAUIL-MRVPVSSYSA-N 1 2 243.253 1.958 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCCCO1 ZINC000279248178 386655342 /nfs/dbraw/zinc/65/53/42/386655342.db2.gz RIXFMKQASPUERV-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000644924915 386614973 /nfs/dbraw/zinc/61/49/73/386614973.db2.gz VJTGBBXGIMQYJH-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000644924915 386614978 /nfs/dbraw/zinc/61/49/78/386614978.db2.gz VJTGBBXGIMQYJH-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC(C)(C)O1 ZINC000278980362 386615507 /nfs/dbraw/zinc/61/55/07/386615507.db2.gz DMZRBJRWNAFPES-SNVBAGLBSA-N 1 2 237.303 1.292 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339777504 386616291 /nfs/dbraw/zinc/61/62/91/386616291.db2.gz PKKMFRHLFMEWNG-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339777504 386616295 /nfs/dbraw/zinc/61/62/95/386616295.db2.gz PKKMFRHLFMEWNG-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000339777504 386616306 /nfs/dbraw/zinc/61/63/06/386616306.db2.gz PKKMFRHLFMEWNG-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@H](C)[C@H](C)O1 ZINC000525872194 386617217 /nfs/dbraw/zinc/61/72/17/386617217.db2.gz MMQOHCDGBGWWSI-MXWKQRLJSA-N 1 2 239.315 1.770 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@H](C)[C@H](C)O1 ZINC000525872194 386617225 /nfs/dbraw/zinc/61/72/25/386617225.db2.gz MMQOHCDGBGWWSI-MXWKQRLJSA-N 1 2 239.315 1.770 20 0 BDADLO Cc1ccoc1C[N@@H+](C)Cc1cncn1C ZINC000292390647 386662020 /nfs/dbraw/zinc/66/20/20/386662020.db2.gz SGZYUIYGQWMGJG-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccoc1C[N@H+](C)Cc1cncn1C ZINC000292390647 386662031 /nfs/dbraw/zinc/66/20/31/386662031.db2.gz SGZYUIYGQWMGJG-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335521503 386662622 /nfs/dbraw/zinc/66/26/22/386662622.db2.gz ZROKKJOCDRCHCQ-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335521503 386662629 /nfs/dbraw/zinc/66/26/29/386662629.db2.gz ZROKKJOCDRCHCQ-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)ccc1O ZINC000366521469 386682804 /nfs/dbraw/zinc/68/28/04/386682804.db2.gz MBQMQLYVFSDEQK-PWSUYJOCSA-N 1 2 235.283 1.374 20 0 BDADLO CCN(CCO)c1nc(C)[nH+]c2c1CCCC2 ZINC000301550418 386666021 /nfs/dbraw/zinc/66/60/21/386666021.db2.gz GRUWOTAZMSABHL-UHFFFAOYSA-N 1 2 235.331 1.482 20 0 BDADLO CCn1c[nH+]cc1CN(CCOC)CC(F)F ZINC000417756693 386670419 /nfs/dbraw/zinc/67/04/19/386670419.db2.gz ABKBTRXXOLPOPV-UHFFFAOYSA-N 1 2 247.289 1.617 20 0 BDADLO CCCC[C@@H](COC)[NH2+][C@@H](CC)C(=O)OC ZINC000192850495 386677569 /nfs/dbraw/zinc/67/75/69/386677569.db2.gz LADWPURSZZOBCI-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)ccc1O ZINC000366521469 386682812 /nfs/dbraw/zinc/68/28/12/386682812.db2.gz MBQMQLYVFSDEQK-PWSUYJOCSA-N 1 2 235.283 1.374 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)ccc1O ZINC000366521467 386681839 /nfs/dbraw/zinc/68/18/39/386681839.db2.gz MBQMQLYVFSDEQK-CMPLNLGQSA-N 1 2 235.283 1.374 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)ccc1O ZINC000366521467 386681843 /nfs/dbraw/zinc/68/18/43/386681843.db2.gz MBQMQLYVFSDEQK-CMPLNLGQSA-N 1 2 235.283 1.374 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N[C@H]1C[C@@H](O)C1 ZINC000520507399 386688885 /nfs/dbraw/zinc/68/88/85/386688885.db2.gz SGBLCURVJQTJSK-TXEJJXNPSA-N 1 2 228.295 1.900 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)C(C)C ZINC000357033751 386695097 /nfs/dbraw/zinc/69/50/97/386695097.db2.gz IDVOYDPUDQPAMI-RYUDHWBXSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)C(C)C ZINC000357033751 386695102 /nfs/dbraw/zinc/69/51/02/386695102.db2.gz IDVOYDPUDQPAMI-RYUDHWBXSA-N 1 2 242.363 1.353 20 0 BDADLO Cc1cnc(C[N@H+](C)CCOCC2CC2)nc1 ZINC000340686854 386695076 /nfs/dbraw/zinc/69/50/76/386695076.db2.gz AQJSAGQXYJXYOR-UHFFFAOYSA-N 1 2 235.331 1.643 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCOCC2CC2)nc1 ZINC000340686854 386695084 /nfs/dbraw/zinc/69/50/84/386695084.db2.gz AQJSAGQXYJXYOR-UHFFFAOYSA-N 1 2 235.331 1.643 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000526931638 386696836 /nfs/dbraw/zinc/69/68/36/386696836.db2.gz NPPOYJZYJJOPNE-OUAUKWLOSA-N 1 2 233.315 1.455 20 0 BDADLO Cc1cccc2c1cc[nH+]c2N1CC(O)C1 ZINC000335475423 386698730 /nfs/dbraw/zinc/69/87/30/386698730.db2.gz KMHDCHBEMRVMAG-UHFFFAOYSA-N 1 2 214.268 1.724 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000292657248 386705059 /nfs/dbraw/zinc/70/50/59/386705059.db2.gz BQOYFWVPARBOHO-AAOUONPWSA-N 1 2 249.314 1.449 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)CO)ccn12 ZINC000520608134 386706231 /nfs/dbraw/zinc/70/62/31/386706231.db2.gz RWECEQYLRNHLAP-JTQLQIEISA-N 1 2 247.298 1.096 20 0 BDADLO Cc1nc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)no1 ZINC000330481611 386734403 /nfs/dbraw/zinc/73/44/03/386734403.db2.gz RUAYODBZSXQKBY-MRVPVSSYSA-N 1 2 249.274 1.228 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000247978445 386737307 /nfs/dbraw/zinc/73/73/07/386737307.db2.gz WDERLJMDXACQFV-BDAKNGLRSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000247978445 386737313 /nfs/dbraw/zinc/73/73/13/386737313.db2.gz WDERLJMDXACQFV-BDAKNGLRSA-N 1 2 224.304 1.901 20 0 BDADLO Nc1ccc(CNC(=O)Nc2ccccn2)c[nH+]1 ZINC000192030463 386738065 /nfs/dbraw/zinc/73/80/65/386738065.db2.gz JVKAPVQGSFNBNO-UHFFFAOYSA-N 1 2 243.270 1.381 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000340694781 386717938 /nfs/dbraw/zinc/71/79/38/386717938.db2.gz XIQKGEGJSOGIIS-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000340694781 386717942 /nfs/dbraw/zinc/71/79/42/386717942.db2.gz XIQKGEGJSOGIIS-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000336760390 386728719 /nfs/dbraw/zinc/72/87/19/386728719.db2.gz JQCTVZNBASXCLH-HOTUBEGUSA-N 1 2 229.320 1.341 20 0 BDADLO O=C1NCCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000264627404 386729708 /nfs/dbraw/zinc/72/97/08/386729708.db2.gz BJBBSTMIACKSJA-JTQLQIEISA-N 1 2 246.314 1.435 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(C)cn2)C1 ZINC000330513019 386746054 /nfs/dbraw/zinc/74/60/54/386746054.db2.gz CIRWYWAHDVXVTL-RYUDHWBXSA-N 1 2 249.314 1.515 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(C)cn2)C1 ZINC000330513019 386746058 /nfs/dbraw/zinc/74/60/58/386746058.db2.gz CIRWYWAHDVXVTL-RYUDHWBXSA-N 1 2 249.314 1.515 20 0 BDADLO Nc1[nH+]cnc(NCCc2cccnc2)c1Cl ZINC000192272234 386749956 /nfs/dbraw/zinc/74/99/56/386749956.db2.gz FHDDMHJWYLWRDR-UHFFFAOYSA-N 1 2 249.705 1.762 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000334154080 386751668 /nfs/dbraw/zinc/75/16/68/386751668.db2.gz QGOCWALVPSYLBO-POYBYMJQSA-N 1 2 240.225 1.299 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000334154080 386751673 /nfs/dbraw/zinc/75/16/73/386751673.db2.gz QGOCWALVPSYLBO-POYBYMJQSA-N 1 2 240.225 1.299 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(C)ncn1 ZINC000292933978 386752803 /nfs/dbraw/zinc/75/28/03/386752803.db2.gz UCFWJPWYVCSESN-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(C)ncn1 ZINC000292933978 386752808 /nfs/dbraw/zinc/75/28/08/386752808.db2.gz UCFWJPWYVCSESN-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)[C@H]1C ZINC000248344973 386755761 /nfs/dbraw/zinc/75/57/61/386755761.db2.gz MFFMFIYQFZFELU-SFYZADRCSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)[C@H]1C ZINC000248344973 386755767 /nfs/dbraw/zinc/75/57/67/386755767.db2.gz MFFMFIYQFZFELU-SFYZADRCSA-N 1 2 240.332 1.207 20 0 BDADLO COC[C@@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000192285950 386756353 /nfs/dbraw/zinc/75/63/53/386756353.db2.gz GAOMUOAWKYOVAW-LURJTMIESA-N 1 2 230.699 1.407 20 0 BDADLO COC[C@@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000192285950 386756357 /nfs/dbraw/zinc/75/63/57/386756357.db2.gz GAOMUOAWKYOVAW-LURJTMIESA-N 1 2 230.699 1.407 20 0 BDADLO C[NH2+]Cc1noc(C(=O)Nc2ccc(C)cc2)n1 ZINC000414501478 386760195 /nfs/dbraw/zinc/76/01/95/386760195.db2.gz NNWYIEPCYFHIGK-UHFFFAOYSA-N 1 2 246.270 1.350 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000292988666 386761780 /nfs/dbraw/zinc/76/17/80/386761780.db2.gz LWSNVFHDEDQPKH-DTWKUNHWSA-N 1 2 221.304 1.585 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000292988666 386761785 /nfs/dbraw/zinc/76/17/85/386761785.db2.gz LWSNVFHDEDQPKH-DTWKUNHWSA-N 1 2 221.304 1.585 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344848680 386762645 /nfs/dbraw/zinc/76/26/45/386762645.db2.gz CNDODOVAOIURBU-RYUDHWBXSA-N 1 2 241.310 1.198 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344848680 386762652 /nfs/dbraw/zinc/76/26/52/386762652.db2.gz CNDODOVAOIURBU-RYUDHWBXSA-N 1 2 241.310 1.198 20 0 BDADLO COC1(CC[N@@H+]2C[C@@H](O)CC(F)(F)C2)CCC1 ZINC000645128441 386741226 /nfs/dbraw/zinc/74/12/26/386741226.db2.gz HGORQORKBSLWNG-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO COC1(CC[N@H+]2C[C@@H](O)CC(F)(F)C2)CCC1 ZINC000645128441 386741233 /nfs/dbraw/zinc/74/12/33/386741233.db2.gz HGORQORKBSLWNG-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1ccccn1 ZINC000426481789 386741934 /nfs/dbraw/zinc/74/19/34/386741934.db2.gz BMGDXOOMBRUYBZ-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO CCC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340868679 386792091 /nfs/dbraw/zinc/79/20/91/386792091.db2.gz KCOFVQRULPJHBC-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO CC[C@H](SC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269458914 386794995 /nfs/dbraw/zinc/79/49/95/386794995.db2.gz FUEZZTSAWCDEPM-ZJUUUORDSA-N 1 2 241.360 1.529 20 0 BDADLO Cc1noc([C@@H]([NH2+]CCF)C2CCOCC2)n1 ZINC000330578110 386795274 /nfs/dbraw/zinc/79/52/74/386795274.db2.gz PEJVTHRIYYEFAY-JTQLQIEISA-N 1 2 243.282 1.405 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000340778099 386772455 /nfs/dbraw/zinc/77/24/55/386772455.db2.gz NKVQBMDDFQWTKR-VHSXEESVSA-N 1 2 231.299 1.623 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cccnc2)C1 ZINC000330526336 386774317 /nfs/dbraw/zinc/77/43/17/386774317.db2.gz LXASOTRDSLPMMP-QWRGUYRKSA-N 1 2 235.287 1.206 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cccnc2)C1 ZINC000330526336 386774322 /nfs/dbraw/zinc/77/43/22/386774322.db2.gz LXASOTRDSLPMMP-QWRGUYRKSA-N 1 2 235.287 1.206 20 0 BDADLO Cc1oncc1C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000527075437 386774998 /nfs/dbraw/zinc/77/49/98/386774998.db2.gz SEHFJLBPVZMICI-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1oncc1C[N@H+]1CCc2nc(C)ncc2C1 ZINC000527075437 386775006 /nfs/dbraw/zinc/77/50/06/386775006.db2.gz SEHFJLBPVZMICI-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cn1cccc1CNC(=O)CCc1c[nH+]cn1C ZINC000280149920 386785096 /nfs/dbraw/zinc/78/50/96/386785096.db2.gz NRMSWRIYEDBYER-UHFFFAOYSA-N 1 2 246.314 1.008 20 0 BDADLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccno1)CCO2 ZINC000280488625 386817634 /nfs/dbraw/zinc/81/76/34/386817634.db2.gz QCAIJHLQENCUOJ-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccno1)CCO2 ZINC000280488625 386817637 /nfs/dbraw/zinc/81/76/37/386817637.db2.gz QCAIJHLQENCUOJ-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO CC(C)(CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000293450954 386820247 /nfs/dbraw/zinc/82/02/47/386820247.db2.gz KPEDEZAPKKHLJU-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000280532620 386821973 /nfs/dbraw/zinc/82/19/73/386821973.db2.gz RUJSMURFMAUEGU-SNVBAGLBSA-N 1 2 243.738 1.276 20 0 BDADLO C/C=C\C[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000352877239 386822021 /nfs/dbraw/zinc/82/20/21/386822021.db2.gz OFHJMZVYCWMRKV-VSQXVHSFSA-N 1 2 249.314 1.261 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000280532620 386821978 /nfs/dbraw/zinc/82/19/78/386821978.db2.gz RUJSMURFMAUEGU-SNVBAGLBSA-N 1 2 243.738 1.276 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000366586401 386823905 /nfs/dbraw/zinc/82/39/05/386823905.db2.gz YOCLFPBTSBAGHX-WCQYABFASA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000366586401 386823910 /nfs/dbraw/zinc/82/39/10/386823910.db2.gz YOCLFPBTSBAGHX-WCQYABFASA-N 1 2 249.314 1.026 20 0 BDADLO Cn1c[nH+]cc1CNC1(C(F)F)CC1 ZINC000336669931 386805070 /nfs/dbraw/zinc/80/50/70/386805070.db2.gz YAHMTXKARKXDLO-UHFFFAOYSA-N 1 2 201.220 1.307 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1ccncn1 ZINC000191239014 386805489 /nfs/dbraw/zinc/80/54/89/386805489.db2.gz AVYKBPUWCYDULS-UHFFFAOYSA-N 1 2 242.282 1.751 20 0 BDADLO CN(C)c1nccc(C[N@H+](C)Cc2ccco2)n1 ZINC000340915392 386811986 /nfs/dbraw/zinc/81/19/86/386811986.db2.gz LNUBFOQZGJPOQI-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1nccc(C[N@@H+](C)Cc2ccco2)n1 ZINC000340915392 386811993 /nfs/dbraw/zinc/81/19/93/386811993.db2.gz LNUBFOQZGJPOQI-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000293505740 386825223 /nfs/dbraw/zinc/82/52/23/386825223.db2.gz HSTZCILTAPWAIX-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000293505740 386825230 /nfs/dbraw/zinc/82/52/30/386825230.db2.gz HSTZCILTAPWAIX-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO CC[C@H](Nc1cc(C)nc(OC)n1)c1[nH]cc[nH+]1 ZINC000357682883 386825527 /nfs/dbraw/zinc/82/55/27/386825527.db2.gz MMVJOECVURGVAC-VIFPVBQESA-N 1 2 247.302 1.502 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334774506 386826897 /nfs/dbraw/zinc/82/68/97/386826897.db2.gz VAZNYDCIBDJZFF-LLVKDONJSA-N 1 2 226.299 1.540 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@@](C)(F)C1 ZINC000334774506 386826900 /nfs/dbraw/zinc/82/69/00/386826900.db2.gz VAZNYDCIBDJZFF-LLVKDONJSA-N 1 2 226.299 1.540 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(O)c(F)c2)n1C ZINC000341041314 386827925 /nfs/dbraw/zinc/82/79/25/386827925.db2.gz GIFCSLDVJGVCJO-UHFFFAOYSA-N 1 2 249.289 1.863 20 0 BDADLO Cc1c[nH+]c(CNCc2ccc(O)c(F)c2)n1C ZINC000341041314 386827935 /nfs/dbraw/zinc/82/79/35/386827935.db2.gz GIFCSLDVJGVCJO-UHFFFAOYSA-N 1 2 249.289 1.863 20 0 BDADLO FCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000280609246 386829002 /nfs/dbraw/zinc/82/90/02/386829002.db2.gz DICUOBFHNCCEHF-UHFFFAOYSA-N 1 2 220.251 1.326 20 0 BDADLO CCCCNc1cc(N2CCCC2)nc(N)[nH+]1 ZINC000280657373 386832812 /nfs/dbraw/zinc/83/28/12/386832812.db2.gz AZGJKQTUVJGATA-UHFFFAOYSA-N 1 2 235.335 1.871 20 0 BDADLO CCCCNc1cc(N2CCCC2)[nH+]c(N)n1 ZINC000280657373 386832813 /nfs/dbraw/zinc/83/28/13/386832813.db2.gz AZGJKQTUVJGATA-UHFFFAOYSA-N 1 2 235.335 1.871 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC2(CC2)C1 ZINC000518853660 386837358 /nfs/dbraw/zinc/83/73/58/386837358.db2.gz AUYPZLOQOGYZCB-UHFFFAOYSA-N 1 2 219.288 1.286 20 0 BDADLO c1cn(C[C@H]2COc3ccccc3O2)c[nH+]1 ZINC000027881688 386841512 /nfs/dbraw/zinc/84/15/12/386841512.db2.gz OITUGMZTFPLOGE-JTQLQIEISA-N 1 2 216.240 1.723 20 0 BDADLO NCC(F)(F)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414937116 386844177 /nfs/dbraw/zinc/84/41/77/386844177.db2.gz WIYRISLMZNHICS-OPRDCNLKSA-N 1 2 246.301 1.128 20 0 BDADLO C[C@@H]1OCC[N@H+](CCn2cc(Cl)cn2)[C@H]1C ZINC000334785783 386844307 /nfs/dbraw/zinc/84/43/07/386844307.db2.gz AMWJJJPURRDSTE-UWVGGRQHSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@@H]1OCC[N@@H+](CCn2cc(Cl)cn2)[C@H]1C ZINC000334785783 386844311 /nfs/dbraw/zinc/84/43/11/386844311.db2.gz AMWJJJPURRDSTE-UWVGGRQHSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@H](C1CCC1)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341146999 386846191 /nfs/dbraw/zinc/84/61/91/386846191.db2.gz RDRWUBSLWIMTGP-SSDOTTSWSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H](C1CCC1)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341146999 386846196 /nfs/dbraw/zinc/84/61/96/386846196.db2.gz RDRWUBSLWIMTGP-SSDOTTSWSA-N 1 2 210.281 1.131 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H]1SC ZINC000425333280 386848355 /nfs/dbraw/zinc/84/83/55/386848355.db2.gz DXZSGPLQTMIIPS-XLPZGREQSA-N 1 2 203.307 1.032 20 0 BDADLO CC[C@H](CNc1[nH+]c(C)nc2[nH]ccc21)OC ZINC000357824424 386850844 /nfs/dbraw/zinc/85/08/44/386850844.db2.gz HRWORYWQERLRPE-SECBINFHSA-N 1 2 234.303 1.525 20 0 BDADLO C[C@@H](CCO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301910813 386891764 /nfs/dbraw/zinc/89/17/64/386891764.db2.gz SHMUIYLGTKJKDK-VIFPVBQESA-N 1 2 246.314 1.642 20 0 BDADLO C[N@H+](CCC(N)=O)Cc1nc(C2CC2)no1 ZINC000331751988 386892282 /nfs/dbraw/zinc/89/22/82/386892282.db2.gz GVMPHBOKXIJMFI-UHFFFAOYSA-N 1 2 224.264 1.304 20 0 BDADLO C[N@@H+](CCC(N)=O)Cc1nc(C2CC2)no1 ZINC000331751988 386892286 /nfs/dbraw/zinc/89/22/86/386892286.db2.gz GVMPHBOKXIJMFI-UHFFFAOYSA-N 1 2 224.264 1.304 20 0 BDADLO CCN1CC[N@H+](Cc2cccs2)[C@@H](C)C1=O ZINC000335741487 386858804 /nfs/dbraw/zinc/85/88/04/386858804.db2.gz OQMDECGZLBLINS-JTQLQIEISA-N 1 2 238.356 1.801 20 0 BDADLO CCN1CC[N@@H+](Cc2cccs2)[C@@H](C)C1=O ZINC000335741487 386858809 /nfs/dbraw/zinc/85/88/09/386858809.db2.gz OQMDECGZLBLINS-JTQLQIEISA-N 1 2 238.356 1.801 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334794020 386860284 /nfs/dbraw/zinc/86/02/84/386860284.db2.gz OWBSKRPNLCYZCK-CHWSQXEVSA-N 1 2 247.342 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334794020 386860292 /nfs/dbraw/zinc/86/02/92/386860292.db2.gz OWBSKRPNLCYZCK-CHWSQXEVSA-N 1 2 247.342 1.719 20 0 BDADLO CC1(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000331530667 386867510 /nfs/dbraw/zinc/86/75/10/386867510.db2.gz SENRCBMACCHBKW-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO Cc1nc(Nc2cnn(CCO)c2)c(C)c(C)[nH+]1 ZINC000301715193 386873240 /nfs/dbraw/zinc/87/32/40/386873240.db2.gz ZUPLNRGDCJRZFE-UHFFFAOYSA-N 1 2 247.302 1.334 20 0 BDADLO CSC1(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000331617128 386876643 /nfs/dbraw/zinc/87/66/43/386876643.db2.gz QJLYHONEHZHZMZ-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO CO[C@@](C)(C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000331642056 386877532 /nfs/dbraw/zinc/87/75/32/386877532.db2.gz JKOWNGFZCITIIJ-GFCCVEGCSA-N 1 2 237.303 1.183 20 0 BDADLO COC1(CCNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000293805038 386881108 /nfs/dbraw/zinc/88/11/08/386881108.db2.gz DFVYWDCWROZOPU-ONEGZZNKSA-N 1 2 249.314 1.498 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc[nH]2)[C@@H]1[C@@H]1CCCO1 ZINC000334839557 386882765 /nfs/dbraw/zinc/88/27/65/386882765.db2.gz KCHLKQVENPQMTH-CMPLNLGQSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)[C@@H]1[C@@H]1CCCO1 ZINC000334839557 386882771 /nfs/dbraw/zinc/88/27/71/386882771.db2.gz KCHLKQVENPQMTH-CMPLNLGQSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)CN(Cc2[nH]cc[nH+]2)[C@@H]1[C@@H]1CCCO1 ZINC000334839557 386882776 /nfs/dbraw/zinc/88/27/76/386882776.db2.gz KCHLKQVENPQMTH-CMPLNLGQSA-N 1 2 235.331 1.799 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334862392 386917830 /nfs/dbraw/zinc/91/78/30/386917830.db2.gz LCQVANAAAMQTAK-JTQLQIEISA-N 1 2 227.283 1.197 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334862392 386917833 /nfs/dbraw/zinc/91/78/33/386917833.db2.gz LCQVANAAAMQTAK-JTQLQIEISA-N 1 2 227.283 1.197 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccc(F)cn1 ZINC000358250552 386919220 /nfs/dbraw/zinc/91/92/20/386919220.db2.gz PIWMDDYWCJBYDL-UHFFFAOYSA-N 1 2 248.261 1.124 20 0 BDADLO COCCn1cc(NCc2[nH+]cc(C)n2C)cn1 ZINC000341400291 386904211 /nfs/dbraw/zinc/90/42/11/386904211.db2.gz WXJWRTSHRIVHGG-UHFFFAOYSA-N 1 2 249.318 1.184 20 0 BDADLO O=C(NC[C@H]1CC12CC2)c1ccc2[nH+]ccn2c1 ZINC000334853165 386904658 /nfs/dbraw/zinc/90/46/58/386904658.db2.gz GGJOYFYXHLLIRZ-LLVKDONJSA-N 1 2 241.294 1.864 20 0 BDADLO CC(C)c1nc(NCCn2ccnn2)cc[nH+]1 ZINC000302139352 386906121 /nfs/dbraw/zinc/90/61/21/386906121.db2.gz DYNNECOSXCFXEK-UHFFFAOYSA-N 1 2 232.291 1.304 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCCOCC2)s1 ZINC000367300945 386907180 /nfs/dbraw/zinc/90/71/80/386907180.db2.gz WPKBDGZTLNFCPD-MRVPVSSYSA-N 1 2 227.333 1.630 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCCOCC2)s1 ZINC000367300945 386907184 /nfs/dbraw/zinc/90/71/84/386907184.db2.gz WPKBDGZTLNFCPD-MRVPVSSYSA-N 1 2 227.333 1.630 20 0 BDADLO Cc1c([C@@H](C)[NH2+]Cc2nccc(C)n2)cnn1C ZINC000330840098 386911641 /nfs/dbraw/zinc/91/16/41/386911641.db2.gz JAEAPFWGUJDBBB-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@@]23CCOC3)c(C)c[nH+]1 ZINC000368145913 386946363 /nfs/dbraw/zinc/94/63/63/386946363.db2.gz AENNWXFDVLLWSI-BXUZGUMPSA-N 1 2 246.310 1.485 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334866636 386923263 /nfs/dbraw/zinc/92/32/63/386923263.db2.gz ZOFSIRRYLMEROI-SNVBAGLBSA-N 1 2 213.252 1.758 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@H](CF)C1 ZINC000334866636 386923266 /nfs/dbraw/zinc/92/32/66/386923266.db2.gz ZOFSIRRYLMEROI-SNVBAGLBSA-N 1 2 213.252 1.758 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cncc(F)c1 ZINC000341546096 386923666 /nfs/dbraw/zinc/92/36/66/386923666.db2.gz QBOXCEIXGPSXKW-UHFFFAOYSA-N 1 2 234.234 1.446 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000418014595 386924397 /nfs/dbraw/zinc/92/43/97/386924397.db2.gz UZRFJFOOGBTJNB-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330939735 386925644 /nfs/dbraw/zinc/92/56/44/386925644.db2.gz BCICGUVCTZIWAH-UHFFFAOYSA-N 1 2 223.320 1.850 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H](OC)C(C)C ZINC000330962350 386930471 /nfs/dbraw/zinc/93/04/71/386930471.db2.gz GGWPNAKFTAAUFR-LBPRGKRZSA-N 1 2 236.315 1.675 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@H](CO)C2)cc[nH+]1 ZINC000398639137 386931558 /nfs/dbraw/zinc/93/15/58/386931558.db2.gz VVCQVEROWVPTNA-KOLCDFICSA-N 1 2 221.304 1.240 20 0 BDADLO CSC1(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000331986631 386936784 /nfs/dbraw/zinc/93/67/84/386936784.db2.gz OBGONEGGIRIRIZ-UHFFFAOYSA-N 1 2 225.317 1.312 20 0 BDADLO CSC1(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000331986631 386936788 /nfs/dbraw/zinc/93/67/88/386936788.db2.gz OBGONEGGIRIRIZ-UHFFFAOYSA-N 1 2 225.317 1.312 20 0 BDADLO O=C(CCc1nccs1)Nc1cc[nH+]cc1O ZINC000358337186 386937647 /nfs/dbraw/zinc/93/76/47/386937647.db2.gz LKOSITXSXCQOEM-UHFFFAOYSA-N 1 2 249.295 1.237 20 0 BDADLO CCCCNc1cc(NCC2CCC2)nc(N)[nH+]1 ZINC000341744575 386958306 /nfs/dbraw/zinc/95/83/06/386958306.db2.gz PGCWDQCJANXDHH-UHFFFAOYSA-N 1 2 249.362 1.735 20 0 BDADLO CCCCNc1cc(NCC2CCC2)[nH+]c(N)n1 ZINC000341744575 386958310 /nfs/dbraw/zinc/95/83/10/386958310.db2.gz PGCWDQCJANXDHH-UHFFFAOYSA-N 1 2 249.362 1.735 20 0 BDADLO CC(C)c1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)cc[nH+]1 ZINC000368304756 386958515 /nfs/dbraw/zinc/95/85/15/386958515.db2.gz PSHWCHJWCOEDQX-URLYPYJESA-N 1 2 233.315 1.275 20 0 BDADLO Cc1cc(NC(=O)Cc2cncs2)c(C)c[nH+]1 ZINC000526087138 386961762 /nfs/dbraw/zinc/96/17/62/386961762.db2.gz NZQRZMMAISRQFZ-UHFFFAOYSA-N 1 2 247.323 1.758 20 0 BDADLO CSC1(C[NH+]2CC(O)(C(F)F)C2)CC1 ZINC000425352433 386963039 /nfs/dbraw/zinc/96/30/39/386963039.db2.gz XOOHAGAJAFXYET-UHFFFAOYSA-N 1 2 223.288 1.194 20 0 BDADLO c1cncc(CC[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368335984 386963821 /nfs/dbraw/zinc/96/38/21/386963821.db2.gz JZGHGJUCLPAVNV-NEPJUHHUSA-N 1 2 204.273 1.097 20 0 BDADLO c1cncc(CC[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368335984 386963826 /nfs/dbraw/zinc/96/38/26/386963826.db2.gz JZGHGJUCLPAVNV-NEPJUHHUSA-N 1 2 204.273 1.097 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1Cc1[nH+]ccn1CC ZINC000341814695 386967310 /nfs/dbraw/zinc/96/73/10/386967310.db2.gz VBVMFHCFXQHNQR-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368374228 386967341 /nfs/dbraw/zinc/96/73/41/386967341.db2.gz KBNIXXNYCZTBDF-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000334896577 386968725 /nfs/dbraw/zinc/96/87/25/386968725.db2.gz DZIDXRFVKCKLFI-KOLCDFICSA-N 1 2 249.314 1.047 20 0 BDADLO Cc1nnc(C[N@@H+](C[C@@H](C)O)C(C)C)s1 ZINC000358511320 386969987 /nfs/dbraw/zinc/96/99/87/386969987.db2.gz QZQJGNOWJSDAFF-MRVPVSSYSA-N 1 2 229.349 1.438 20 0 BDADLO Cc1nnc(C[N@H+](C[C@@H](C)O)C(C)C)s1 ZINC000358511320 386969990 /nfs/dbraw/zinc/96/99/90/386969990.db2.gz QZQJGNOWJSDAFF-MRVPVSSYSA-N 1 2 229.349 1.438 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC=CCC1 ZINC000334900300 386974438 /nfs/dbraw/zinc/97/44/38/386974438.db2.gz VRCPSFMKAJYZRN-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCC1(C)CC1 ZINC000341843417 386978571 /nfs/dbraw/zinc/97/85/71/386978571.db2.gz RLNASSVANLPJSM-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO Cn1nnnc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000341854785 386980251 /nfs/dbraw/zinc/98/02/51/386980251.db2.gz FHJMNEXACGCVKQ-UHFFFAOYSA-N 1 2 247.277 1.128 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(F)cn1 ZINC000519001237 386981238 /nfs/dbraw/zinc/98/12/38/386981238.db2.gz USCGOZQXQCCQFO-VIFPVBQESA-N 1 2 232.262 1.862 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000331130813 386982990 /nfs/dbraw/zinc/98/29/90/386982990.db2.gz GPFUBUBVCZUVEG-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cnc(C)cn1 ZINC000331130813 386982994 /nfs/dbraw/zinc/98/29/94/386982994.db2.gz GPFUBUBVCZUVEG-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO CC[C@H](F)C[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000331276152 386993709 /nfs/dbraw/zinc/99/37/09/386993709.db2.gz CLXVPRBBXZTFCD-VIFPVBQESA-N 1 2 243.282 1.023 20 0 BDADLO CC[C@H](F)C[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000331276152 386993715 /nfs/dbraw/zinc/99/37/15/386993715.db2.gz CLXVPRBBXZTFCD-VIFPVBQESA-N 1 2 243.282 1.023 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000267183119 386994776 /nfs/dbraw/zinc/99/47/76/386994776.db2.gz JDFZQUOZUDGCTI-SSDOTTSWSA-N 1 2 227.333 1.333 20 0 BDADLO COC[C@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332640590 386994877 /nfs/dbraw/zinc/99/48/77/386994877.db2.gz KDWYEAKSORIFEM-SCZZXKLOSA-N 1 2 225.292 1.407 20 0 BDADLO COC[C@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332640590 386994881 /nfs/dbraw/zinc/99/48/81/386994881.db2.gz KDWYEAKSORIFEM-SCZZXKLOSA-N 1 2 225.292 1.407 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nncn1C ZINC000519047567 386996373 /nfs/dbraw/zinc/99/63/73/386996373.db2.gz DVDUFFDNBOTGKY-HTQZYQBOSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nncn1C ZINC000519047567 386996377 /nfs/dbraw/zinc/99/63/77/386996377.db2.gz DVDUFFDNBOTGKY-HTQZYQBOSA-N 1 2 248.252 1.588 20 0 BDADLO COC[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000331249102 386998347 /nfs/dbraw/zinc/99/83/47/386998347.db2.gz XTCNGOPAYCKORX-VIFPVBQESA-N 1 2 222.288 1.919 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc(C)n(C)n2)CCO1 ZINC000442893038 386999190 /nfs/dbraw/zinc/99/91/90/386999190.db2.gz QWISZBAERGGJPT-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc(C)n(C)n2)CCO1 ZINC000442893038 386999195 /nfs/dbraw/zinc/99/91/95/386999195.db2.gz QWISZBAERGGJPT-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1coc(C)c1)CC2 ZINC000368712675 387005101 /nfs/dbraw/zinc/00/51/01/387005101.db2.gz PTJYHQFADYRATR-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO CC[C@H](NC(=O)c1n[nH]c(C)c1C)c1[nH]cc[nH+]1 ZINC000331297030 387008951 /nfs/dbraw/zinc/00/89/51/387008951.db2.gz ZFJYFSMWBCIGLG-VIFPVBQESA-N 1 2 247.302 1.631 20 0 BDADLO C[C@@H](O)C[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000341645709 386948612 /nfs/dbraw/zinc/94/86/12/386948612.db2.gz XLDSAMTVCKROQE-NXEZZACHSA-N 1 2 247.298 1.224 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000334820650 386950719 /nfs/dbraw/zinc/95/07/19/386950719.db2.gz MECNUFBBIDXEOP-GXSJLCMTSA-N 1 2 222.336 1.135 20 0 BDADLO CS[C@@H](C)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000358407380 386951575 /nfs/dbraw/zinc/95/15/75/386951575.db2.gz RKHPIFZHAMZYNQ-QMMMGPOBSA-N 1 2 227.333 1.558 20 0 BDADLO c1cnn(CC[N@@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000369227456 387034446 /nfs/dbraw/zinc/03/44/46/387034446.db2.gz OPGNCVGAEQSIOL-GFCCVEGCSA-N 1 2 247.298 1.550 20 0 BDADLO c1cnn(CC[N@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000369227456 387034451 /nfs/dbraw/zinc/03/44/51/387034451.db2.gz OPGNCVGAEQSIOL-GFCCVEGCSA-N 1 2 247.298 1.550 20 0 BDADLO CC(C)c1nc(N[C@H](C)Cn2cncn2)cc[nH+]1 ZINC000110380172 387062895 /nfs/dbraw/zinc/06/28/95/387062895.db2.gz VEBRPVVGCSRFJQ-SNVBAGLBSA-N 1 2 246.318 1.692 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccccn1 ZINC000284099048 387064815 /nfs/dbraw/zinc/06/48/15/387064815.db2.gz PZMSXHSQPCEEDL-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccccn1 ZINC000284099048 387064820 /nfs/dbraw/zinc/06/48/20/387064820.db2.gz PZMSXHSQPCEEDL-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1cn[nH]c1 ZINC000358785899 387013255 /nfs/dbraw/zinc/01/32/55/387013255.db2.gz AVPPWOCQJMBQQP-SSDOTTSWSA-N 1 2 233.275 1.521 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)s2)C[C@@H]1O ZINC000358826279 387016625 /nfs/dbraw/zinc/01/66/25/387016625.db2.gz HNYAVEQRSGZRFF-IUCAKERBSA-N 1 2 227.333 1.049 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)s2)C[C@@H]1O ZINC000358826279 387016629 /nfs/dbraw/zinc/01/66/29/387016629.db2.gz HNYAVEQRSGZRFF-IUCAKERBSA-N 1 2 227.333 1.049 20 0 BDADLO C[C@]1(NC(=O)CCc2[nH]cc[nH+]2)CC=CCC1 ZINC000331357589 387018366 /nfs/dbraw/zinc/01/83/66/387018366.db2.gz UDPVPZUAQOFZLU-ZDUSSCGKSA-N 1 2 233.315 1.957 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](C)(F)C2)n(C)n1 ZINC000334942220 387019193 /nfs/dbraw/zinc/01/91/93/387019193.db2.gz AWRCEOVFTONQEA-NSHDSACASA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](C)(F)C2)n(C)n1 ZINC000334942220 387019195 /nfs/dbraw/zinc/01/91/95/387019195.db2.gz AWRCEOVFTONQEA-NSHDSACASA-N 1 2 211.284 1.662 20 0 BDADLO COC(=O)c1coc(C[NH+]2CCC(C)CC2)n1 ZINC000331351681 387019324 /nfs/dbraw/zinc/01/93/24/387019324.db2.gz YZCIIFKWZHJPRH-UHFFFAOYSA-N 1 2 238.287 1.693 20 0 BDADLO Cn1ccnc1C[NH+]1CC(CC(F)F)C1 ZINC000425367224 387023866 /nfs/dbraw/zinc/02/38/66/387023866.db2.gz RWSFJBXPZLBSBS-UHFFFAOYSA-N 1 2 215.247 1.507 20 0 BDADLO Cn1cc[nH+]c1CN1CC(CC(F)F)C1 ZINC000425367224 387023869 /nfs/dbraw/zinc/02/38/69/387023869.db2.gz RWSFJBXPZLBSBS-UHFFFAOYSA-N 1 2 215.247 1.507 20 0 BDADLO C[NH2+]Cc1noc([C@]2(C)CCC[C@H]2C)n1 ZINC000334881804 387025399 /nfs/dbraw/zinc/02/53/99/387025399.db2.gz LTDXSIWBXMYECD-LDYMZIIASA-N 1 2 209.293 1.867 20 0 BDADLO Cc1ncc(C[NH+]2CC(CC(F)F)C2)cn1 ZINC000425368920 387026312 /nfs/dbraw/zinc/02/63/12/387026312.db2.gz YJUMQFVGJXOSGR-UHFFFAOYSA-N 1 2 227.258 1.872 20 0 BDADLO C[NH2+]Cc1noc([C@@]2(C)CC=CCC2)n1 ZINC000334883309 387026850 /nfs/dbraw/zinc/02/68/50/387026850.db2.gz VUSUIROECYRQQX-NSHDSACASA-N 1 2 207.277 1.787 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccccc2F)C1 ZINC000425376807 387028915 /nfs/dbraw/zinc/02/89/15/387028915.db2.gz YEDPAOOBKPVADL-UHFFFAOYSA-N 1 2 237.274 1.821 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1nccs1 ZINC000185973909 387069445 /nfs/dbraw/zinc/06/94/45/387069445.db2.gz MJTZDDBOQNLHCI-NSHDSACASA-N 1 2 239.344 1.373 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1nccs1 ZINC000185973909 387069450 /nfs/dbraw/zinc/06/94/50/387069450.db2.gz MJTZDDBOQNLHCI-NSHDSACASA-N 1 2 239.344 1.373 20 0 BDADLO COC[C@H]1C[N@@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000246322782 387072714 /nfs/dbraw/zinc/07/27/14/387072714.db2.gz JPUJMHKAVGNAIT-NWDGAFQWSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H]1C[N@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000246322782 387072718 /nfs/dbraw/zinc/07/27/18/387072718.db2.gz JPUJMHKAVGNAIT-NWDGAFQWSA-N 1 2 236.315 1.490 20 0 BDADLO CN(C)C(=O)c1ccccc1C[NH2+]CC(F)F ZINC000418053363 387077503 /nfs/dbraw/zinc/07/75/03/387077503.db2.gz CCNLTASLZFCYMF-UHFFFAOYSA-N 1 2 242.269 1.743 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nn(C)cc2Cl)[C@@H]1CO ZINC000334991440 387080135 /nfs/dbraw/zinc/08/01/35/387080135.db2.gz ZXVHYOIRVWOGBI-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nn(C)cc2Cl)[C@@H]1CO ZINC000334991440 387080139 /nfs/dbraw/zinc/08/01/39/387080139.db2.gz ZXVHYOIRVWOGBI-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO CC(C)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000057379470 387130978 /nfs/dbraw/zinc/13/09/78/387130978.db2.gz IEZXMQOUGXPACA-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cccnn1 ZINC000309723230 387131072 /nfs/dbraw/zinc/13/10/72/387131072.db2.gz WVOJTSYTWPFZHM-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(F)cc1O ZINC000228310132 387089178 /nfs/dbraw/zinc/08/91/78/387089178.db2.gz WBOSTSCMQXXFTI-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000370118182 387090711 /nfs/dbraw/zinc/09/07/11/387090711.db2.gz AXXBPYHFCSUPRT-LLVKDONJSA-N 1 2 233.315 1.536 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259797 387090993 /nfs/dbraw/zinc/09/09/93/387090993.db2.gz UNNQMOUDZTWFID-UWVGGRQHSA-N 1 2 228.311 1.478 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](F)C1 ZINC000336259797 387090996 /nfs/dbraw/zinc/09/09/96/387090996.db2.gz UNNQMOUDZTWFID-UWVGGRQHSA-N 1 2 228.311 1.478 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)ccn1 ZINC000336262737 387097236 /nfs/dbraw/zinc/09/72/36/387097236.db2.gz NZALQGLFCVZWAA-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](F)C2)ccn1 ZINC000336262737 387097240 /nfs/dbraw/zinc/09/72/40/387097240.db2.gz NZALQGLFCVZWAA-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](Cc2ccncc2)CCN1C ZINC000336264890 387100131 /nfs/dbraw/zinc/10/01/31/387100131.db2.gz HQQUXDQDSIPLTN-RYUDHWBXSA-N 1 2 219.332 1.606 20 0 BDADLO CCOC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000418095726 387102471 /nfs/dbraw/zinc/10/24/71/387102471.db2.gz URGOXILZMLRUDG-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO CCN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000336278402 387110161 /nfs/dbraw/zinc/11/01/61/387110161.db2.gz JFGBNOKVRJPBBN-UHFFFAOYSA-N 1 2 249.314 1.424 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)C ZINC000069068927 387111769 /nfs/dbraw/zinc/11/17/69/387111769.db2.gz BHXMVPCXMZJXNX-VIFPVBQESA-N 1 2 210.277 1.361 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)C ZINC000069068927 387111772 /nfs/dbraw/zinc/11/17/72/387111772.db2.gz BHXMVPCXMZJXNX-VIFPVBQESA-N 1 2 210.277 1.361 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000333964630 387113616 /nfs/dbraw/zinc/11/36/16/387113616.db2.gz PFWRVHGKUOWICG-WZRBSPASSA-N 1 2 246.310 1.572 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000359529016 387117598 /nfs/dbraw/zinc/11/75/98/387117598.db2.gz IPYWZKJQFGQRDG-NWDGAFQWSA-N 1 2 241.331 1.295 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000359529016 387117602 /nfs/dbraw/zinc/11/76/02/387117602.db2.gz IPYWZKJQFGQRDG-NWDGAFQWSA-N 1 2 241.331 1.295 20 0 BDADLO OC[C@@H](CC1CCCCC1)[NH2+]Cc1ccn[nH]1 ZINC000418124108 387122840 /nfs/dbraw/zinc/12/28/40/387122840.db2.gz GYLQRXXFBKCAIG-CYBMUJFWSA-N 1 2 237.347 1.831 20 0 BDADLO c1nnsc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000336291806 387123278 /nfs/dbraw/zinc/12/32/78/387123278.db2.gz SGKGNPHQHANRIC-SNVBAGLBSA-N 1 2 241.385 1.866 20 0 BDADLO c1nnsc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000336291806 387123284 /nfs/dbraw/zinc/12/32/84/387123284.db2.gz SGKGNPHQHANRIC-SNVBAGLBSA-N 1 2 241.385 1.866 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000359586153 387128614 /nfs/dbraw/zinc/12/86/14/387128614.db2.gz CVZOEWMUSIAFDZ-LLVKDONJSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCOC2(CCC2)C1 ZINC000359586153 387128618 /nfs/dbraw/zinc/12/86/18/387128618.db2.gz CVZOEWMUSIAFDZ-LLVKDONJSA-N 1 2 239.315 1.193 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353165929 387147813 /nfs/dbraw/zinc/14/78/13/387147813.db2.gz BSPRSVBWYPCNSX-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353165929 387147819 /nfs/dbraw/zinc/14/78/19/387147819.db2.gz BSPRSVBWYPCNSX-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO C[C@]1(O)CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000571766638 387164888 /nfs/dbraw/zinc/16/48/88/387164888.db2.gz GSBUZCIEMIVMCR-ZDUSSCGKSA-N 1 2 248.330 1.402 20 0 BDADLO C[C@]1(O)CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000571766638 387164896 /nfs/dbraw/zinc/16/48/96/387164896.db2.gz GSBUZCIEMIVMCR-ZDUSSCGKSA-N 1 2 248.330 1.402 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(COC)CC1 ZINC000352431130 387193242 /nfs/dbraw/zinc/19/32/42/387193242.db2.gz KXLUAJWPUBPGEW-UHFFFAOYSA-N 1 2 234.299 1.431 20 0 BDADLO CC1(C)[C@H]([NH2+]CC(F)(F)CN)[C@H]2CCCO[C@H]21 ZINC000423331159 387175974 /nfs/dbraw/zinc/17/59/74/387175974.db2.gz CLGOIJABSJSRHD-OPRDCNLKSA-N 1 2 248.317 1.374 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(F)cn1 ZINC000353336286 387182454 /nfs/dbraw/zinc/18/24/54/387182454.db2.gz NSUAHPVPXVGBKG-BDAKNGLRSA-N 1 2 249.293 1.761 20 0 BDADLO [NH3+]CC(F)(F)CNC1C2CC3CC(C2)CC1C3 ZINC000423337768 387185157 /nfs/dbraw/zinc/18/51/57/387185157.db2.gz VOICBEZIWWWPJH-UHFFFAOYSA-N 1 2 244.329 1.995 20 0 BDADLO Cc1nc(C[N@H+](C)CCn2cccn2)cs1 ZINC000058396601 387186240 /nfs/dbraw/zinc/18/62/40/387186240.db2.gz YERLOKYOLFIKHQ-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO Cc1nc(C[N@@H+](C)CCn2cccn2)cs1 ZINC000058396601 387186245 /nfs/dbraw/zinc/18/62/45/387186245.db2.gz YERLOKYOLFIKHQ-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@@H](F)C1 ZINC000424587271 387194077 /nfs/dbraw/zinc/19/40/77/387194077.db2.gz TZDVQKCEIOKLON-GHMZBOCLSA-N 1 2 239.294 1.528 20 0 BDADLO CC[C@H](C)c1cc(C(=O)NCc2[nH]cc[nH+]2)on1 ZINC000120140965 387188155 /nfs/dbraw/zinc/18/81/55/387188155.db2.gz DZFOCEZGRQEUBH-QMMMGPOBSA-N 1 2 248.286 1.841 20 0 BDADLO C[C@H]1CCC[C@@H]([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193297136 387191885 /nfs/dbraw/zinc/19/18/85/387191885.db2.gz XCGZBGNTXMAAAT-VHSXEESVSA-N 1 2 223.324 1.221 20 0 BDADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193297136 387191890 /nfs/dbraw/zinc/19/18/90/387191890.db2.gz XCGZBGNTXMAAAT-VHSXEESVSA-N 1 2 223.324 1.221 20 0 BDADLO CC(C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119549026 387140562 /nfs/dbraw/zinc/14/05/62/387140562.db2.gz JZTQEZLSIYRZES-GFCCVEGCSA-N 1 2 249.358 1.857 20 0 BDADLO CC[N@@H+](Cc1c(F)ccc(O)c1F)C[C@@H](C)O ZINC000353465252 387208298 /nfs/dbraw/zinc/20/82/98/387208298.db2.gz WQUNKSBCRCRABV-MRVPVSSYSA-N 1 2 245.269 1.873 20 0 BDADLO CC[N@H+](Cc1c(F)ccc(O)c1F)C[C@@H](C)O ZINC000353465252 387208303 /nfs/dbraw/zinc/20/83/03/387208303.db2.gz WQUNKSBCRCRABV-MRVPVSSYSA-N 1 2 245.269 1.873 20 0 BDADLO CCCN(CC)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000571992586 387216358 /nfs/dbraw/zinc/21/63/58/387216358.db2.gz YZUHCKBTKDHVGO-VIFPVBQESA-N 1 2 227.333 1.401 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccc[nH]1 ZINC000371464662 387219278 /nfs/dbraw/zinc/21/92/78/387219278.db2.gz VKUPTEYPKSJGLA-LLVKDONJSA-N 1 2 244.298 1.726 20 0 BDADLO Cc1nocc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000353513011 387220762 /nfs/dbraw/zinc/22/07/62/387220762.db2.gz DTBBKSLQEQJIFW-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1nocc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000353513011 387220766 /nfs/dbraw/zinc/22/07/66/387220766.db2.gz DTBBKSLQEQJIFW-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000371496005 387221514 /nfs/dbraw/zinc/22/15/14/387221514.db2.gz WHJTUTKEHGXXCI-ZYHUDNBSSA-N 1 2 233.315 1.703 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000336393378 387222074 /nfs/dbraw/zinc/22/20/74/387222074.db2.gz WWCCSJGCVNOLSN-DGCLKSJQSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000336393378 387222075 /nfs/dbraw/zinc/22/20/75/387222075.db2.gz WWCCSJGCVNOLSN-DGCLKSJQSA-N 1 2 249.358 1.810 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000336394327 387222976 /nfs/dbraw/zinc/22/29/76/387222976.db2.gz JSSMAZVHZFDSRX-VHSXEESVSA-N 1 2 237.303 1.207 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000336394327 387222977 /nfs/dbraw/zinc/22/29/77/387222977.db2.gz JSSMAZVHZFDSRX-VHSXEESVSA-N 1 2 237.303 1.207 20 0 BDADLO CN(Cc1cc[nH]n1)Cc1c[nH+]c2ccccn12 ZINC000353524630 387223622 /nfs/dbraw/zinc/22/36/22/387223622.db2.gz DPBKAWCFNFZGHP-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)F ZINC000572058170 387225444 /nfs/dbraw/zinc/22/54/44/387225444.db2.gz SDSBTWTWYDROSR-BDAKNGLRSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)F ZINC000572058170 387225449 /nfs/dbraw/zinc/22/54/49/387225449.db2.gz SDSBTWTWYDROSR-BDAKNGLRSA-N 1 2 227.283 1.453 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572057842 387225962 /nfs/dbraw/zinc/22/59/62/387225962.db2.gz PLLLAQKKNIWNEM-GUBZILKMSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572057842 387225965 /nfs/dbraw/zinc/22/59/65/387225965.db2.gz PLLLAQKKNIWNEM-GUBZILKMSA-N 1 2 239.319 1.128 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC3(CC3)C2)nc1 ZINC000360096749 387227671 /nfs/dbraw/zinc/22/76/71/387227671.db2.gz HSXHBCYVQRDDKU-UHFFFAOYSA-N 1 2 233.315 1.397 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC3(CC3)C2)nc1 ZINC000360096749 387227675 /nfs/dbraw/zinc/22/76/75/387227675.db2.gz HSXHBCYVQRDDKU-UHFFFAOYSA-N 1 2 233.315 1.397 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1[nH]nc2ccccc21 ZINC000648638726 387229499 /nfs/dbraw/zinc/22/94/99/387229499.db2.gz NHUKULNEFMMNHI-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC000648638726 387229501 /nfs/dbraw/zinc/22/95/01/387229501.db2.gz NHUKULNEFMMNHI-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000648638726 387229506 /nfs/dbraw/zinc/22/95/06/387229506.db2.gz NHUKULNEFMMNHI-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000648638726 387229511 /nfs/dbraw/zinc/22/95/11/387229511.db2.gz NHUKULNEFMMNHI-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO Cc1cc(NC(=O)C[C@@H](C)n2cccn2)cc[nH+]1 ZINC000424661306 387239726 /nfs/dbraw/zinc/23/97/26/387239726.db2.gz VTMDOIZDMYZBJX-LLVKDONJSA-N 1 2 244.298 1.598 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nc(C)ns1)CC2 ZINC000371703603 387240848 /nfs/dbraw/zinc/24/08/48/387240848.db2.gz NNCYVCSHHHGUNQ-UHFFFAOYSA-N 1 2 235.316 1.372 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@@H]1CCCC[C@H]1O)CC2 ZINC000371700071 387241828 /nfs/dbraw/zinc/24/18/28/387241828.db2.gz MGLUKLFUBLMABS-VXGBXAGGSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@@H]1CCCC[C@H]1O)CC2 ZINC000371700071 387241833 /nfs/dbraw/zinc/24/18/33/387241833.db2.gz MGLUKLFUBLMABS-VXGBXAGGSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)oc1C ZINC000336417510 387243672 /nfs/dbraw/zinc/24/36/72/387243672.db2.gz OWKSPYFEHHLFGY-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000371747155 387244676 /nfs/dbraw/zinc/24/46/76/387244676.db2.gz OUQVNKLQLAKSEC-OLZOCXBDSA-N 1 2 235.331 1.765 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000336365791 387197552 /nfs/dbraw/zinc/19/75/52/387197552.db2.gz HOHVLRRUZJFVGJ-DDFAGTSDSA-N 1 2 233.315 1.804 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000571923656 387198750 /nfs/dbraw/zinc/19/87/50/387198750.db2.gz XQGWBYZNCSKBDJ-TUAOUCFPSA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000188186362 387256576 /nfs/dbraw/zinc/25/65/76/387256576.db2.gz NDPKRVURRZHVSH-VHSXEESVSA-N 1 2 237.303 1.935 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000188189219 387256763 /nfs/dbraw/zinc/25/67/63/387256763.db2.gz OWFVXYLXQNVUMF-VHSXEESVSA-N 1 2 237.303 1.935 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@H]12 ZINC000360339230 387266511 /nfs/dbraw/zinc/26/65/11/387266511.db2.gz WDDJGQWJUGLSOJ-AAEUAGOBSA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccc(F)cc3)[C@H]12 ZINC000360339230 387266512 /nfs/dbraw/zinc/26/65/12/387266512.db2.gz WDDJGQWJUGLSOJ-AAEUAGOBSA-N 1 2 249.285 1.963 20 0 BDADLO C[N@@H+](Cc1ccco1)C[C@H]1CCS(=O)(=O)C1 ZINC000353773235 387272429 /nfs/dbraw/zinc/27/24/29/387272429.db2.gz ATTZJZVIOQPOSF-SNVBAGLBSA-N 1 2 243.328 1.146 20 0 BDADLO C[N@H+](Cc1ccco1)C[C@H]1CCS(=O)(=O)C1 ZINC000353773235 387272432 /nfs/dbraw/zinc/27/24/32/387272432.db2.gz ATTZJZVIOQPOSF-SNVBAGLBSA-N 1 2 243.328 1.146 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C)Cc2ccon2)n1 ZINC000353810311 387276830 /nfs/dbraw/zinc/27/68/30/387276830.db2.gz CTHMMBFYMBSQDS-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)Cc2ccon2)n1 ZINC000353810311 387276834 /nfs/dbraw/zinc/27/68/34/387276834.db2.gz CTHMMBFYMBSQDS-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1[nH]ncc1C ZINC000336448903 387278322 /nfs/dbraw/zinc/27/83/22/387278322.db2.gz QNPOWCZOQUVMST-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1[nH]ncc1C ZINC000336448903 387278329 /nfs/dbraw/zinc/27/83/29/387278329.db2.gz QNPOWCZOQUVMST-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1n[nH]cc1C ZINC000336448903 387278333 /nfs/dbraw/zinc/27/83/33/387278333.db2.gz QNPOWCZOQUVMST-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1n[nH]cc1C ZINC000336448903 387278337 /nfs/dbraw/zinc/27/83/37/387278337.db2.gz QNPOWCZOQUVMST-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)c2ccon2)cc[nH+]1 ZINC000353804761 387278399 /nfs/dbraw/zinc/27/83/99/387278399.db2.gz BQZZLTQEVTXZIU-VIFPVBQESA-N 1 2 246.270 1.683 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1cncc(F)c1 ZINC000336451849 387280279 /nfs/dbraw/zinc/28/02/79/387280279.db2.gz KPZBIXBGCUVZDR-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO CCCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000372248493 387287163 /nfs/dbraw/zinc/28/71/63/387287163.db2.gz IEWGGFJOFSAGHU-NSHDSACASA-N 1 2 235.331 1.985 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000372370870 387295143 /nfs/dbraw/zinc/29/51/43/387295143.db2.gz ZGKXERPLHOLKGO-VXGBXAGGSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000372370870 387295149 /nfs/dbraw/zinc/29/51/49/387295149.db2.gz ZGKXERPLHOLKGO-VXGBXAGGSA-N 1 2 236.290 1.974 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000336551481 387372394 /nfs/dbraw/zinc/37/23/94/387372394.db2.gz ARFAFVBXGKTSEO-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO Cc1occc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000336551481 387372399 /nfs/dbraw/zinc/37/23/99/387372399.db2.gz ARFAFVBXGKTSEO-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO CC[C@@]1(C(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000514997548 387320665 /nfs/dbraw/zinc/32/06/65/387320665.db2.gz FYEMFYYRAAAZQU-OCCSQVGLSA-N 1 2 249.358 1.904 20 0 BDADLO COCc1cnc(C[N@H+]2CC[C@H]2COC)s1 ZINC000354056111 387321993 /nfs/dbraw/zinc/32/19/93/387321993.db2.gz CYAQDGTZVOVLPP-VIFPVBQESA-N 1 2 242.344 1.510 20 0 BDADLO COCc1cnc(C[N@@H+]2CC[C@H]2COC)s1 ZINC000354056111 387321998 /nfs/dbraw/zinc/32/19/98/387321998.db2.gz CYAQDGTZVOVLPP-VIFPVBQESA-N 1 2 242.344 1.510 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000360664293 387330507 /nfs/dbraw/zinc/33/05/07/387330507.db2.gz OOGCDWZOJUJZBE-ZANVPECISA-N 1 2 234.299 1.830 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000515125399 387338014 /nfs/dbraw/zinc/33/80/14/387338014.db2.gz VXGGHJKHHULLOK-UWVGGRQHSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000515125399 387338019 /nfs/dbraw/zinc/33/80/19/387338019.db2.gz VXGGHJKHHULLOK-UWVGGRQHSA-N 1 2 238.356 1.499 20 0 BDADLO CC(C)c1ccc(CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000121303688 387340215 /nfs/dbraw/zinc/34/02/15/387340215.db2.gz OWDQENCUFBOSED-UHFFFAOYSA-N 1 2 246.354 1.784 20 0 BDADLO CC(C)c1ccc(CC[N@H+]2CCNC(=O)C2)cc1 ZINC000121303688 387340219 /nfs/dbraw/zinc/34/02/19/387340219.db2.gz OWDQENCUFBOSED-UHFFFAOYSA-N 1 2 246.354 1.784 20 0 BDADLO COC(=O)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162319656 387341878 /nfs/dbraw/zinc/34/18/78/387341878.db2.gz RWYDOHZTGXBKAQ-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336524391 387349107 /nfs/dbraw/zinc/34/91/07/387349107.db2.gz XYVSLLULCNWYEH-VIFPVBQESA-N 1 2 235.283 1.312 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000336524391 387349109 /nfs/dbraw/zinc/34/91/09/387349109.db2.gz XYVSLLULCNWYEH-VIFPVBQESA-N 1 2 235.283 1.312 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336527985 387352501 /nfs/dbraw/zinc/35/25/01/387352501.db2.gz YOTJEAFMCKMSPM-PHIMTYICSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336527985 387352504 /nfs/dbraw/zinc/35/25/04/387352504.db2.gz YOTJEAFMCKMSPM-PHIMTYICSA-N 1 2 207.277 1.081 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000648671828 387426130 /nfs/dbraw/zinc/42/61/30/387426130.db2.gz VGJIGWCOVHICEK-SDDRHHMPSA-N 1 2 233.315 1.578 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352668800 387428840 /nfs/dbraw/zinc/42/88/40/387428840.db2.gz VAJUDBRWVPRKGE-GHMZBOCLSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352668800 387428845 /nfs/dbraw/zinc/42/88/45/387428845.db2.gz VAJUDBRWVPRKGE-GHMZBOCLSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352668803 387428991 /nfs/dbraw/zinc/42/89/91/387428991.db2.gz VAJUDBRWVPRKGE-WDEREUQCSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352668803 387428995 /nfs/dbraw/zinc/42/89/95/387428995.db2.gz VAJUDBRWVPRKGE-WDEREUQCSA-N 1 2 238.335 1.033 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CC1(F)F ZINC000421747867 387431665 /nfs/dbraw/zinc/43/16/65/387431665.db2.gz DCTSYNMYQOUSRD-PSASIEDQSA-N 1 2 243.257 1.433 20 0 BDADLO CC[C@]1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000354813119 387431723 /nfs/dbraw/zinc/43/17/23/387431723.db2.gz MJFBKZQSPHZLAW-CYBMUJFWSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000352672149 387432967 /nfs/dbraw/zinc/43/29/67/387432967.db2.gz QYXHHRGVQXJUIM-SDDRHHMPSA-N 1 2 231.311 1.614 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000352672149 387432968 /nfs/dbraw/zinc/43/29/68/387432968.db2.gz QYXHHRGVQXJUIM-SDDRHHMPSA-N 1 2 231.311 1.614 20 0 BDADLO C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CCC1=O ZINC000515874757 387435725 /nfs/dbraw/zinc/43/57/25/387435725.db2.gz NOPHUUFEVSIWHK-NEPJUHHUSA-N 1 2 241.331 1.093 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CCC1=O ZINC000515874757 387435727 /nfs/dbraw/zinc/43/57/27/387435727.db2.gz NOPHUUFEVSIWHK-NEPJUHHUSA-N 1 2 241.331 1.093 20 0 BDADLO Cc1nnc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)s1 ZINC000354901364 387444280 /nfs/dbraw/zinc/44/42/80/387444280.db2.gz RPUMJCQZNOZUDA-SCZZXKLOSA-N 1 2 241.360 1.582 20 0 BDADLO Cc1nnc(C[N@H+]2[C@H](C)CCC[C@H]2CO)s1 ZINC000354901364 387444285 /nfs/dbraw/zinc/44/42/85/387444285.db2.gz RPUMJCQZNOZUDA-SCZZXKLOSA-N 1 2 241.360 1.582 20 0 BDADLO CC/C=C\CC[N@H+](CCO)CC(F)F ZINC000361347553 387445493 /nfs/dbraw/zinc/44/54/93/387445493.db2.gz WBEZGEIPSHMSFY-ARJAWSKDSA-N 1 2 207.264 1.902 20 0 BDADLO CC/C=C\CC[N@@H+](CCO)CC(F)F ZINC000361347553 387445496 /nfs/dbraw/zinc/44/54/96/387445496.db2.gz WBEZGEIPSHMSFY-ARJAWSKDSA-N 1 2 207.264 1.902 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1C[C@@H]1C)CCC2 ZINC000374435792 387454653 /nfs/dbraw/zinc/45/46/53/387454653.db2.gz KNZRNUGPSOVMAM-DLOVCJGASA-N 1 2 247.342 1.841 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H](C)C2)o1 ZINC000336612749 387455386 /nfs/dbraw/zinc/45/53/86/387455386.db2.gz VQNQEJTYKDTSPI-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H](C)C2)o1 ZINC000336612749 387455389 /nfs/dbraw/zinc/45/53/89/387455389.db2.gz VQNQEJTYKDTSPI-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2nnnn2C)cc1 ZINC000354995324 387462372 /nfs/dbraw/zinc/46/23/72/387462372.db2.gz UHFKIWHNNMIQBC-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2nnnn2C)cc1 ZINC000354995324 387462378 /nfs/dbraw/zinc/46/23/78/387462378.db2.gz UHFKIWHNNMIQBC-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@H]2CCOC2)n1C ZINC000361422322 387460024 /nfs/dbraw/zinc/46/00/24/387460024.db2.gz ZSUFBCGHIPPCAD-NSHDSACASA-N 1 2 238.335 1.123 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@H]2CCOC2)n1C ZINC000361422322 387460028 /nfs/dbraw/zinc/46/00/28/387460028.db2.gz ZSUFBCGHIPPCAD-NSHDSACASA-N 1 2 238.335 1.123 20 0 BDADLO Cc1c([C@H]2CCC[N@@H+]2[C@@H]2CCOC2=O)cnn1C ZINC000361067775 387396362 /nfs/dbraw/zinc/39/63/62/387396362.db2.gz FHUQLCAWKQHOOW-VXGBXAGGSA-N 1 2 249.314 1.181 20 0 BDADLO Cc1c([C@H]2CCC[N@H+]2[C@@H]2CCOC2=O)cnn1C ZINC000361067775 387396366 /nfs/dbraw/zinc/39/63/66/387396366.db2.gz FHUQLCAWKQHOOW-VXGBXAGGSA-N 1 2 249.314 1.181 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000354586472 387398958 /nfs/dbraw/zinc/39/89/58/387398958.db2.gz PVVKWFLSNUSTCG-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000646235289 387403702 /nfs/dbraw/zinc/40/37/02/387403702.db2.gz IYORELNZMXBJDC-SECBINFHSA-N 1 2 238.356 1.853 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000646235289 387403706 /nfs/dbraw/zinc/40/37/06/387403706.db2.gz IYORELNZMXBJDC-SECBINFHSA-N 1 2 238.356 1.853 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2(F)CC2)n1 ZINC000351368324 387405565 /nfs/dbraw/zinc/40/55/65/387405565.db2.gz MEHVAVIZWPNPKZ-UHFFFAOYSA-N 1 2 222.223 1.353 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000336592493 387419249 /nfs/dbraw/zinc/41/92/49/387419249.db2.gz BJUAGXSVYHJNAN-ZWNOBZJWSA-N 1 2 249.314 1.501 20 0 BDADLO Cn1nccc1CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000374831234 387493847 /nfs/dbraw/zinc/49/38/47/387493847.db2.gz XKNGBGQGUQWBQW-NSHDSACASA-N 1 2 247.302 1.183 20 0 BDADLO Cn1nccc1CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000374831234 387493852 /nfs/dbraw/zinc/49/38/52/387493852.db2.gz XKNGBGQGUQWBQW-NSHDSACASA-N 1 2 247.302 1.183 20 0 BDADLO COC(=O)Cc1cccc(NCc2[nH]cc[nH+]2)n1 ZINC000191603424 387494638 /nfs/dbraw/zinc/49/46/38/387494638.db2.gz STQWHFWOFQKALF-UHFFFAOYSA-N 1 2 246.270 1.132 20 0 BDADLO C[C@@H](CC(=O)N1CCC(=O)CC1)n1cc[nH+]c1 ZINC000516655271 387507528 /nfs/dbraw/zinc/50/75/28/387507528.db2.gz VEFAMQIPAMQRKE-JTQLQIEISA-N 1 2 235.287 1.026 20 0 BDADLO CC(C)n1cc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000355283019 387511253 /nfs/dbraw/zinc/51/12/53/387511253.db2.gz BHRICRDGYFQLIB-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000355283019 387511257 /nfs/dbraw/zinc/51/12/57/387511257.db2.gz BHRICRDGYFQLIB-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000162733677 387513243 /nfs/dbraw/zinc/51/32/43/387513243.db2.gz VSWDSYUZKLKMST-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000162733677 387513247 /nfs/dbraw/zinc/51/32/47/387513247.db2.gz VSWDSYUZKLKMST-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC1(O)CCC1 ZINC000355370590 387527945 /nfs/dbraw/zinc/52/79/45/387527945.db2.gz NJBXCTUKIAPHQX-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC1(O)CCC1 ZINC000355370590 387527947 /nfs/dbraw/zinc/52/79/47/387527947.db2.gz NJBXCTUKIAPHQX-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO CCOCC(=O)NCc1c[nH+]c(C)cc1C ZINC000397085805 387536030 /nfs/dbraw/zinc/53/60/30/387536030.db2.gz HVRBULLFQUKKEK-UHFFFAOYSA-N 1 2 222.288 1.351 20 0 BDADLO CCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000397100614 387540440 /nfs/dbraw/zinc/54/04/40/387540440.db2.gz PBFBMYMFOZVIBD-UHFFFAOYSA-N 1 2 221.304 1.908 20 0 BDADLO CC[C@@H](C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000352734645 387464292 /nfs/dbraw/zinc/46/42/92/387464292.db2.gz ZJKGWJQCKXHBAB-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CC1CCCC1)[C@@H](C)O ZINC000355043126 387471036 /nfs/dbraw/zinc/47/10/36/387471036.db2.gz UFLKYGJQNRIHCK-HOSYDEDBSA-N 1 2 243.347 1.467 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361515932 387477749 /nfs/dbraw/zinc/47/77/49/387477749.db2.gz MOHMGLQGOBBRRJ-STQMWFEESA-N 1 2 247.294 1.455 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361515932 387477756 /nfs/dbraw/zinc/47/77/56/387477756.db2.gz MOHMGLQGOBBRRJ-STQMWFEESA-N 1 2 247.294 1.455 20 0 BDADLO CS[C@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374658390 387478494 /nfs/dbraw/zinc/47/84/94/387478494.db2.gz BIARLGCKCWEFIK-SECBINFHSA-N 1 2 239.344 1.285 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cncs1)CC2 ZINC000374699157 387483661 /nfs/dbraw/zinc/48/36/61/387483661.db2.gz KZCUYZAOZWDVEW-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CSC[C@H]1C ZINC000304519347 387490975 /nfs/dbraw/zinc/49/09/75/387490975.db2.gz PDKBLPNCFJUBCV-VWYCJHECSA-N 1 2 245.388 1.915 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1CCCC1)C2 ZINC000375772621 387581417 /nfs/dbraw/zinc/58/14/17/387581417.db2.gz KDGBOJJZJXMZMY-LBPRGKRZSA-N 1 2 247.342 1.813 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355833596 387583763 /nfs/dbraw/zinc/58/37/63/387583763.db2.gz TYNRJEAGRYGAHZ-MWLCHTKSSA-N 1 2 239.319 1.429 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc[nH]1)CO2 ZINC000123514601 387584020 /nfs/dbraw/zinc/58/40/20/387584020.db2.gz VGAIVAFPTGXWBJ-LLVKDONJSA-N 1 2 229.283 1.941 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000430267799 387602687 /nfs/dbraw/zinc/60/26/87/387602687.db2.gz LGCYGRSSDNWYRU-SNVBAGLBSA-N 1 2 249.362 1.826 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000430267799 387602695 /nfs/dbraw/zinc/60/26/95/387602695.db2.gz LGCYGRSSDNWYRU-SNVBAGLBSA-N 1 2 249.362 1.826 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)c(=O)[nH]1 ZINC000356026956 387608253 /nfs/dbraw/zinc/60/82/53/387608253.db2.gz YRUPDBUXEQOSPZ-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1CC(F)(F)C1 ZINC000430341150 387611046 /nfs/dbraw/zinc/61/10/46/387611046.db2.gz FGULDJPEZCYAJE-UHFFFAOYSA-N 1 2 229.230 1.187 20 0 BDADLO Cc1cc(C[N@H+](C2CC2)C2COC2)ccn1 ZINC000527540944 387611068 /nfs/dbraw/zinc/61/10/68/387611068.db2.gz ZGADZJYWKZYLLM-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cc(C[N@@H+](C2CC2)C2COC2)ccn1 ZINC000527540944 387611074 /nfs/dbraw/zinc/61/10/74/387611074.db2.gz ZGADZJYWKZYLLM-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO CCN(C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000376370250 387625399 /nfs/dbraw/zinc/62/53/99/387625399.db2.gz XFRVBHSQIOLYGF-UHFFFAOYSA-N 1 2 222.292 1.079 20 0 BDADLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CC2(F)CC2)C1 ZINC000527237568 387545577 /nfs/dbraw/zinc/54/55/77/387545577.db2.gz VOGSFXOHFBNAAI-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC2(F)CC2)C1 ZINC000527237568 387545580 /nfs/dbraw/zinc/54/55/80/387545580.db2.gz VOGSFXOHFBNAAI-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1ccccn1 ZINC000035125240 387550438 /nfs/dbraw/zinc/55/04/38/387550438.db2.gz ITPSCQZVWVAIPN-JTQLQIEISA-N 1 2 216.288 1.666 20 0 BDADLO CC[C@H](O)C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000426286283 387552522 /nfs/dbraw/zinc/55/25/22/387552522.db2.gz MQAGCMZXCYQRKT-NWDGAFQWSA-N 1 2 246.314 1.255 20 0 BDADLO CC1(C)CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000426303720 387554224 /nfs/dbraw/zinc/55/42/24/387554224.db2.gz ZJVKFBRAGPTDFI-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000375614270 387558770 /nfs/dbraw/zinc/55/87/70/387558770.db2.gz USHBRKUXWPBQQG-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccncc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000375614270 387558773 /nfs/dbraw/zinc/55/87/73/387558773.db2.gz USHBRKUXWPBQQG-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000332762161 387573602 /nfs/dbraw/zinc/57/36/02/387573602.db2.gz QGPHIPXLGPUXNB-OUAUKWLOSA-N 1 2 248.330 1.327 20 0 BDADLO Cc1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)no1 ZINC000305191220 387576605 /nfs/dbraw/zinc/57/66/05/387576605.db2.gz CZKFLFHEBPILGR-PSASIEDQSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)no1 ZINC000305191220 387576608 /nfs/dbraw/zinc/57/66/08/387576608.db2.gz CZKFLFHEBPILGR-PSASIEDQSA-N 1 2 225.292 1.113 20 0 BDADLO COCc1nc(C[NH+]2CCC(C)(C)CC2)no1 ZINC000356241293 387630978 /nfs/dbraw/zinc/63/09/78/387630978.db2.gz JNAPFGMCDYNOSO-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)ccn1 ZINC000527535940 387631381 /nfs/dbraw/zinc/63/13/81/387631381.db2.gz VTCPNNKHPYWVCP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccn1 ZINC000527535940 387631385 /nfs/dbraw/zinc/63/13/85/387631385.db2.gz VTCPNNKHPYWVCP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[C@H]2C1 ZINC000527537249 387632588 /nfs/dbraw/zinc/63/25/88/387632588.db2.gz ZZJHEMIOZDBYTQ-RYUDHWBXSA-N 1 2 233.315 1.532 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1C1CC1 ZINC000527644235 387651433 /nfs/dbraw/zinc/65/14/33/387651433.db2.gz OBZQJTYHNQAAPC-WCFLWFBJSA-N 1 2 247.342 1.682 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000125347172 387654861 /nfs/dbraw/zinc/65/48/61/387654861.db2.gz PIXNNSVBNSLHPC-BDAKNGLRSA-N 1 2 239.344 1.730 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCC12CC2 ZINC000527704838 387668566 /nfs/dbraw/zinc/66/85/66/387668566.db2.gz HHGFAGDVROAFBN-NSHDSACASA-N 1 2 247.342 1.959 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000440704911 387675679 /nfs/dbraw/zinc/67/56/79/387675679.db2.gz XLIHARFZKYGPKN-BDAKNGLRSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000440704911 387675682 /nfs/dbraw/zinc/67/56/82/387675682.db2.gz XLIHARFZKYGPKN-BDAKNGLRSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000440713904 387680921 /nfs/dbraw/zinc/68/09/21/387680921.db2.gz ODVXYMHQFZFFSP-LLVKDONJSA-N 1 2 240.326 1.275 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000440718197 387680995 /nfs/dbraw/zinc/68/09/95/387680995.db2.gz ZLASJIGZHKLGQE-RYUDHWBXSA-N 1 2 232.343 1.387 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000440718197 387680999 /nfs/dbraw/zinc/68/09/99/387680999.db2.gz ZLASJIGZHKLGQE-RYUDHWBXSA-N 1 2 232.343 1.387 20 0 BDADLO CCCc1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000362967791 387682132 /nfs/dbraw/zinc/68/21/32/387682132.db2.gz UKGFORQUFKAFBD-UHFFFAOYSA-N 1 2 245.330 1.452 20 0 BDADLO CC(C)n1cc(C(=O)Nc2ccc(N)[nH+]c2)cn1 ZINC000422784192 387683302 /nfs/dbraw/zinc/68/33/02/387683302.db2.gz IKCSKILUGCECIV-UHFFFAOYSA-N 1 2 245.286 1.524 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(Cc2ccon2)CC1 ZINC000440758589 387687530 /nfs/dbraw/zinc/68/75/30/387687530.db2.gz AHLWBHNFEIXKIA-LLVKDONJSA-N 1 2 241.310 1.540 20 0 BDADLO CCc1cc(CC)nc(NCc2[nH+]ccn2C)n1 ZINC000288115650 387745379 /nfs/dbraw/zinc/74/53/79/387745379.db2.gz XREYBPXDOHUGGS-UHFFFAOYSA-N 1 2 245.330 1.947 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C)s2)[C@@H](C)C1 ZINC000441347159 387751100 /nfs/dbraw/zinc/75/11/00/387751100.db2.gz LERISTFHFHJDRD-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)s2)[C@@H](C)C1 ZINC000441347159 387751102 /nfs/dbraw/zinc/75/11/02/387751102.db2.gz LERISTFHFHJDRD-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H](F)CC ZINC000440790303 387698301 /nfs/dbraw/zinc/69/83/01/387698301.db2.gz KPIRMRUZLDCHDJ-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](F)CC ZINC000440790303 387698312 /nfs/dbraw/zinc/69/83/12/387698312.db2.gz KPIRMRUZLDCHDJ-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H](F)CC ZINC000440790308 387698700 /nfs/dbraw/zinc/69/87/00/387698700.db2.gz KPIRMRUZLDCHDJ-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](F)CC ZINC000440790308 387698703 /nfs/dbraw/zinc/69/87/03/387698703.db2.gz KPIRMRUZLDCHDJ-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000452013417 387700875 /nfs/dbraw/zinc/70/08/75/387700875.db2.gz JEUOLYZVKQSMFI-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC000452014623 387702621 /nfs/dbraw/zinc/70/26/21/387702621.db2.gz KZEJTHKSALCDFG-FBIMIBRVSA-N 1 2 239.319 1.986 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)OC ZINC000452035289 387703844 /nfs/dbraw/zinc/70/38/44/387703844.db2.gz OAWSRUZKORTHMU-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000452034147 387705839 /nfs/dbraw/zinc/70/58/39/387705839.db2.gz DMZSWAFYIWFMCU-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000452034147 387705842 /nfs/dbraw/zinc/70/58/42/387705842.db2.gz DMZSWAFYIWFMCU-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)cn1 ZINC000127280907 387708380 /nfs/dbraw/zinc/70/83/80/387708380.db2.gz QKXVICCRXICTQP-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)cn1 ZINC000127280907 387708385 /nfs/dbraw/zinc/70/83/85/387708385.db2.gz QKXVICCRXICTQP-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2COC)[nH]1 ZINC000452045418 387710454 /nfs/dbraw/zinc/71/04/54/387710454.db2.gz XEHLRMKVRXJKRX-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@H]2COC)[nH]1 ZINC000452045418 387710457 /nfs/dbraw/zinc/71/04/57/387710457.db2.gz XEHLRMKVRXJKRX-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)CCC1CC1 ZINC000115332901 387718696 /nfs/dbraw/zinc/71/86/96/387718696.db2.gz UDPIUIYSMOWKLH-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)[nH]1 ZINC000452069796 387721425 /nfs/dbraw/zinc/72/14/25/387721425.db2.gz NEIAGNBGISKAMK-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)[nH]1 ZINC000452069796 387721432 /nfs/dbraw/zinc/72/14/32/387721432.db2.gz NEIAGNBGISKAMK-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1cn[nH]c1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527805456 387728509 /nfs/dbraw/zinc/72/85/09/387728509.db2.gz AJJQBMZWHFSYTK-ZDUSSCGKSA-N 1 2 248.374 1.825 20 0 BDADLO Cc1cn[nH]c1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527805456 387728514 /nfs/dbraw/zinc/72/85/14/387728514.db2.gz AJJQBMZWHFSYTK-ZDUSSCGKSA-N 1 2 248.374 1.825 20 0 BDADLO CC1(C)C[N@H+](Cc2cnns2)[C@@H]2COC[C@@H]21 ZINC000452107115 387738686 /nfs/dbraw/zinc/73/86/86/387738686.db2.gz AIZUUJBRHUHRSY-VHSXEESVSA-N 1 2 239.344 1.395 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnns2)[C@@H]2COC[C@@H]21 ZINC000452107115 387738690 /nfs/dbraw/zinc/73/86/90/387738690.db2.gz AIZUUJBRHUHRSY-VHSXEESVSA-N 1 2 239.344 1.395 20 0 BDADLO CCOCC1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000441275003 387740445 /nfs/dbraw/zinc/74/04/45/387740445.db2.gz HXZVEHZEXPNSRH-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCOCC[C@H]1C ZINC000367657886 387740632 /nfs/dbraw/zinc/74/06/32/387740632.db2.gz GVDGIJLOTDWQPS-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCOCC[C@H]1C ZINC000367657886 387740637 /nfs/dbraw/zinc/74/06/37/387740637.db2.gz GVDGIJLOTDWQPS-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CC[S@](=O)C1 ZINC000527908223 387764913 /nfs/dbraw/zinc/76/49/13/387764913.db2.gz DKLKDUHXJPDOFL-AYVTZFPOSA-N 1 2 226.301 1.023 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000378094867 387765884 /nfs/dbraw/zinc/76/58/84/387765884.db2.gz PBDDRAGXHYIQHF-IINYFYTJSA-N 1 2 247.342 1.741 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOCC12CCC2 ZINC000129325389 387767525 /nfs/dbraw/zinc/76/75/25/387767525.db2.gz LQDGRYNDHALKAK-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1oncc1C[N@H+]1CCOCC12CCC2 ZINC000129325389 387767530 /nfs/dbraw/zinc/76/75/30/387767530.db2.gz LQDGRYNDHALKAK-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO COc1cccc(CNc2cccc(CO)[nH+]2)n1 ZINC000432749391 387812064 /nfs/dbraw/zinc/81/20/64/387812064.db2.gz UHNMMVQQIRZFDK-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO CN(c1cccc(-n2cc[nH+]c2)n1)[C@@H]1CCOC1 ZINC000378194734 387770363 /nfs/dbraw/zinc/77/03/63/387770363.db2.gz NDROGTIKBOIKAB-LLVKDONJSA-N 1 2 244.298 1.492 20 0 BDADLO OCc1cccc(NCc2cncc(F)c2)[nH+]1 ZINC000432738675 387812202 /nfs/dbraw/zinc/81/22/02/387812202.db2.gz SQNVDBULYORHFI-UHFFFAOYSA-N 1 2 233.246 1.720 20 0 BDADLO COc1cccc(CCNc2cc(C)[nH+]cn2)n1 ZINC000441818159 387778798 /nfs/dbraw/zinc/77/87/98/387778798.db2.gz VPSCWYWYLYCBKF-UHFFFAOYSA-N 1 2 244.298 1.265 20 0 BDADLO CC(C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000527948346 387783032 /nfs/dbraw/zinc/78/30/32/387783032.db2.gz SGEZPGSESDMCPN-UHFFFAOYSA-N 1 2 233.319 1.241 20 0 BDADLO Cc1c([C@@H](C)[NH2+]Cc2ncc[nH]2)cnn1C ZINC000049715454 387787307 /nfs/dbraw/zinc/78/73/07/387787307.db2.gz DSUQHMQAVFGZHL-MRVPVSSYSA-N 1 2 219.292 1.302 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc(C(N)=O)c1 ZINC000049857801 387787735 /nfs/dbraw/zinc/78/77/35/387787735.db2.gz CBRNYQXKJXGIBO-UHFFFAOYSA-N 1 2 230.271 1.131 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cc[nH]c1)CC2 ZINC000378633131 387791517 /nfs/dbraw/zinc/79/15/17/387791517.db2.gz MHBVNUXTZQEGIP-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cc[nH]c1)CC2 ZINC000378633131 387791521 /nfs/dbraw/zinc/79/15/21/387791521.db2.gz MHBVNUXTZQEGIP-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000050506572 387795622 /nfs/dbraw/zinc/79/56/22/387795622.db2.gz JKIKKBKEXJXQKN-WCQYABFASA-N 1 2 249.310 1.527 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H]([C@@H](C)O)C1 ZINC000527932497 387796268 /nfs/dbraw/zinc/79/62/68/387796268.db2.gz DCPYLRXITLEGAH-MNOVXSKESA-N 1 2 236.315 1.687 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H]([C@H]2CCOC2)C1 ZINC000527934749 387796899 /nfs/dbraw/zinc/79/68/99/387796899.db2.gz KTBDQSUDQKWBMC-RYUDHWBXSA-N 1 2 248.326 1.953 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000527975327 387813091 /nfs/dbraw/zinc/81/30/91/387813091.db2.gz VBUPBUKCLIACBX-AXTRIDKLSA-N 1 2 223.320 1.936 20 0 BDADLO CC(C)SCC(=O)Nc1ccc(N)[nH+]c1 ZINC000309464388 387802532 /nfs/dbraw/zinc/80/25/32/387802532.db2.gz PPOYEOLMUJQSHL-UHFFFAOYSA-N 1 2 225.317 1.744 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000527988860 387803870 /nfs/dbraw/zinc/80/38/70/387803870.db2.gz YVDXQJOMQAMPQY-RSLMWUCJSA-N 1 2 247.342 1.680 20 0 BDADLO CN(C)c1nc(C[NH2+]C2(C3CC3)CC2)ns1 ZINC000309494851 387810231 /nfs/dbraw/zinc/81/02/31/387810231.db2.gz YDMLWLKMFKGYTN-UHFFFAOYSA-N 1 2 238.360 1.636 20 0 BDADLO CC(C)c1nc(NCCC2CC(O)C2)cc[nH+]1 ZINC000432845328 387832415 /nfs/dbraw/zinc/83/24/15/387832415.db2.gz IGCMVORWYNLUNP-UHFFFAOYSA-N 1 2 235.331 1.595 20 0 BDADLO CCOC1(C)CN(c2[nH+]cccc2OC)C1 ZINC000528030711 387834170 /nfs/dbraw/zinc/83/41/70/387834170.db2.gz PVJIEYNTAHAFMS-UHFFFAOYSA-N 1 2 222.288 1.705 20 0 BDADLO CC(=O)NCCN(C)c1[nH+]ccc2ccccc21 ZINC000528041067 387837814 /nfs/dbraw/zinc/83/78/14/387837814.db2.gz SIDNQAXBWWDXMP-UHFFFAOYSA-N 1 2 243.310 1.807 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432941851 387846628 /nfs/dbraw/zinc/84/66/28/387846628.db2.gz YXJHAWDNHXFVRY-UHFFFAOYSA-N 1 2 240.351 1.571 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432941851 387846634 /nfs/dbraw/zinc/84/66/34/387846634.db2.gz YXJHAWDNHXFVRY-UHFFFAOYSA-N 1 2 240.351 1.571 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@H](CF)C1 ZINC000528033327 387818022 /nfs/dbraw/zinc/81/80/22/387818022.db2.gz AGHLGAVRCLSGLJ-SECBINFHSA-N 1 2 226.251 1.265 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000194536207 387889874 /nfs/dbraw/zinc/88/98/74/387889874.db2.gz PKCCFEOWXDHGMR-JLLWLGSASA-N 1 2 239.315 1.097 20 0 BDADLO C/C(Cl)=C/C[N@@H+](C)Cc1cnn(C)c1 ZINC000528340996 387894431 /nfs/dbraw/zinc/89/44/31/387894431.db2.gz WBGPZURVNNSUGU-WTKPLQERSA-N 1 2 213.712 1.995 20 0 BDADLO C/C(Cl)=C/C[N@H+](C)Cc1cnn(C)c1 ZINC000528340996 387894437 /nfs/dbraw/zinc/89/44/37/387894437.db2.gz WBGPZURVNNSUGU-WTKPLQERSA-N 1 2 213.712 1.995 20 0 BDADLO C/C(Cl)=C\C[N@@H+](C)Cc1cnn(C)c1 ZINC000528340991 387895784 /nfs/dbraw/zinc/89/57/84/387895784.db2.gz WBGPZURVNNSUGU-RUDMXATFSA-N 1 2 213.712 1.995 20 0 BDADLO C/C(Cl)=C\C[N@H+](C)Cc1cnn(C)c1 ZINC000528340991 387895789 /nfs/dbraw/zinc/89/57/89/387895789.db2.gz WBGPZURVNNSUGU-RUDMXATFSA-N 1 2 213.712 1.995 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cnccc2C)n1 ZINC000424182851 387897196 /nfs/dbraw/zinc/89/71/96/387897196.db2.gz ALINSDVXQPRNBL-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO Cn1nnc(C[NH2+][C@@H]2CCCc3ccccc32)n1 ZINC000236149044 387875611 /nfs/dbraw/zinc/87/56/11/387875611.db2.gz YINJGMRMTWLEJL-GFCCVEGCSA-N 1 2 243.314 1.377 20 0 BDADLO CC[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(F)F ZINC000452672719 387884716 /nfs/dbraw/zinc/88/47/16/387884716.db2.gz OFTAENQQWBQMKT-SSDOTTSWSA-N 1 2 245.273 1.847 20 0 BDADLO CC[C@H](C)C[N@@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000194954762 387903331 /nfs/dbraw/zinc/90/33/31/387903331.db2.gz ADSQLFJHOXJHDH-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CC[C@H](C)C[N@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000194954762 387903335 /nfs/dbraw/zinc/90/33/35/387903335.db2.gz ADSQLFJHOXJHDH-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CC[NH+](CC)Cc1coc(S(C)(=O)=O)c1 ZINC000528345371 387903693 /nfs/dbraw/zinc/90/36/93/387903693.db2.gz PMLXJXGSSORZRY-UHFFFAOYSA-N 1 2 231.317 1.525 20 0 BDADLO CC(=O)N1CC[NH+](C/C=C(/C)Cl)CC1 ZINC000528346321 387906325 /nfs/dbraw/zinc/90/63/25/387906325.db2.gz YSGGVBXRMBILJK-OQFOIZHKSA-N 1 2 216.712 1.293 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)nn1 ZINC000444703439 387914206 /nfs/dbraw/zinc/91/42/06/387914206.db2.gz KSGSROUQXRSYTF-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)nn1 ZINC000444703439 387914210 /nfs/dbraw/zinc/91/42/10/387914210.db2.gz KSGSROUQXRSYTF-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cn1 ZINC000438383355 387932803 /nfs/dbraw/zinc/93/28/03/387932803.db2.gz QXYBVFUWICIZNX-TUAOUCFPSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cn1 ZINC000438383355 387932810 /nfs/dbraw/zinc/93/28/10/387932810.db2.gz QXYBVFUWICIZNX-TUAOUCFPSA-N 1 2 235.331 1.783 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000424217761 387935800 /nfs/dbraw/zinc/93/58/00/387935800.db2.gz NXVNJNFSOMXDHI-IVZWLZJFSA-N 1 2 244.285 1.288 20 0 BDADLO Cn1c[nH+]cc1CN1CCc2ncsc2C1 ZINC000438364919 387927528 /nfs/dbraw/zinc/92/75/28/387927528.db2.gz AKMBIHIADOANEV-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438366863 387927679 /nfs/dbraw/zinc/92/76/79/387927679.db2.gz YFFPWFCIEPIRPN-SRVKXCTJSA-N 1 2 237.347 1.901 20 0 BDADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)CC[C@@H]1O ZINC000445609615 387952974 /nfs/dbraw/zinc/95/29/74/387952974.db2.gz IREMSAGWACVLQH-NSHDSACASA-N 1 2 247.342 1.951 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000245513934 387953244 /nfs/dbraw/zinc/95/32/44/387953244.db2.gz DURZNNJRYWNONX-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000245513934 387953249 /nfs/dbraw/zinc/95/32/49/387953249.db2.gz DURZNNJRYWNONX-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000245537317 387955822 /nfs/dbraw/zinc/95/58/22/387955822.db2.gz IVPDIWWVBWUTMH-NXEZZACHSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000245537317 387955825 /nfs/dbraw/zinc/95/58/25/387955825.db2.gz IVPDIWWVBWUTMH-NXEZZACHSA-N 1 2 223.320 1.338 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccccc1 ZINC000226652381 387949053 /nfs/dbraw/zinc/94/90/53/387949053.db2.gz DDRUYRHMBAHPOW-CQSZACIVSA-N 1 2 245.326 1.897 20 0 BDADLO CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044881118 387950501 /nfs/dbraw/zinc/95/05/01/387950501.db2.gz NYMUYIHYZCDMTG-UHFFFAOYSA-N 1 2 215.256 1.291 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC1=CCCC1 ZINC000645880504 387958479 /nfs/dbraw/zinc/95/84/79/387958479.db2.gz PYANGHRPXBLTGQ-SNVBAGLBSA-N 1 2 217.259 1.799 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC1=CCCC1 ZINC000645880504 387958482 /nfs/dbraw/zinc/95/84/82/387958482.db2.gz PYANGHRPXBLTGQ-SNVBAGLBSA-N 1 2 217.259 1.799 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)n[nH]1 ZINC000107284880 177818654 /nfs/dbraw/zinc/81/86/54/177818654.db2.gz UTQRYBRTXARNPY-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO O=C1C[N@H+](Cc2ccco2)[C@@H]2CCCC[C@@H]2N1 ZINC000245575036 387962707 /nfs/dbraw/zinc/96/27/07/387962707.db2.gz ZSSZETHXUFFWQV-NWDGAFQWSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccco2)[C@@H]2CCCC[C@@H]2N1 ZINC000245575036 387962710 /nfs/dbraw/zinc/96/27/10/387962710.db2.gz ZSSZETHXUFFWQV-NWDGAFQWSA-N 1 2 234.299 1.523 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000245851590 387988620 /nfs/dbraw/zinc/98/86/20/387988620.db2.gz CXXFZSCSGLIMQJ-IUCAKERBSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000245851590 387988621 /nfs/dbraw/zinc/98/86/21/387988621.db2.gz CXXFZSCSGLIMQJ-IUCAKERBSA-N 1 2 209.293 1.856 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)[C@H](C)O1 ZINC000446065743 387990503 /nfs/dbraw/zinc/99/05/03/387990503.db2.gz CCKGUPJXLDTBBP-WOPDTQHZSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)[C@H](C)O1 ZINC000446065743 387990507 /nfs/dbraw/zinc/99/05/07/387990507.db2.gz CCKGUPJXLDTBBP-WOPDTQHZSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H](CC(N)=O)[NH2+]c1ccc2c(c1)CCN2 ZINC000423208699 387993127 /nfs/dbraw/zinc/99/31/27/387993127.db2.gz DKRFWBVBSHTVRG-QMMMGPOBSA-N 1 2 219.288 1.330 20 0 BDADLO C[C@@H](CC(N)=O)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423208699 387993130 /nfs/dbraw/zinc/99/31/30/387993130.db2.gz DKRFWBVBSHTVRG-QMMMGPOBSA-N 1 2 219.288 1.330 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@@H](C)[C@@H](C)O1 ZINC000446074650 387995317 /nfs/dbraw/zinc/99/53/17/387995317.db2.gz YHNHAFBAEZBZQC-OUAUKWLOSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@@H](C)[C@@H](C)O1 ZINC000446074650 387995321 /nfs/dbraw/zinc/99/53/21/387995321.db2.gz YHNHAFBAEZBZQC-OUAUKWLOSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000245790748 387983963 /nfs/dbraw/zinc/98/39/63/387983963.db2.gz NTCKOLAWBNSGGJ-HTQZYQBOSA-N 1 2 225.292 1.321 20 0 BDADLO C[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000245790748 387983971 /nfs/dbraw/zinc/98/39/71/387983971.db2.gz NTCKOLAWBNSGGJ-HTQZYQBOSA-N 1 2 225.292 1.321 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000446154734 388005135 /nfs/dbraw/zinc/00/51/35/388005135.db2.gz VIPRBBXZPVUDBS-UHFFFAOYSA-N 1 2 233.227 1.135 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000446154734 388005139 /nfs/dbraw/zinc/00/51/39/388005139.db2.gz VIPRBBXZPVUDBS-UHFFFAOYSA-N 1 2 233.227 1.135 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)c1noc(C)n1)C(C)C ZINC000309666785 388009341 /nfs/dbraw/zinc/00/93/41/388009341.db2.gz UMEVQMWLKYLBKC-WCBMZHEXSA-N 1 2 227.308 1.700 20 0 BDADLO Cn1c[nH+]cc1COc1ccccc1C(N)=O ZINC000439544754 388010278 /nfs/dbraw/zinc/01/02/78/388010278.db2.gz CHUWMOKIHRWBIN-UHFFFAOYSA-N 1 2 231.255 1.098 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000440496416 388044483 /nfs/dbraw/zinc/04/44/83/388044483.db2.gz ONWTTYNAWZPMJL-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000440496416 388044487 /nfs/dbraw/zinc/04/44/87/388044487.db2.gz ONWTTYNAWZPMJL-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO Cc1nc(NCc2cscn2)cc[nH+]1 ZINC000082626417 388039213 /nfs/dbraw/zinc/03/92/13/388039213.db2.gz QDSGVILWFDKALZ-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000082791758 388041495 /nfs/dbraw/zinc/04/14/95/388041495.db2.gz ZCIHCKUKHOBIFW-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000082791758 388041498 /nfs/dbraw/zinc/04/14/98/388041498.db2.gz ZCIHCKUKHOBIFW-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000082791777 388041832 /nfs/dbraw/zinc/04/18/32/388041832.db2.gz XRFVJKBHCXIXNS-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC000082791777 388041836 /nfs/dbraw/zinc/04/18/36/388041836.db2.gz XRFVJKBHCXIXNS-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000440530289 388053239 /nfs/dbraw/zinc/05/32/39/388053239.db2.gz JZHHIDYHAMNBQD-UWVGGRQHSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000440530289 388053242 /nfs/dbraw/zinc/05/32/42/388053242.db2.gz JZHHIDYHAMNBQD-UWVGGRQHSA-N 1 2 216.300 1.287 20 0 BDADLO CCC(CC)[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000163963115 388114336 /nfs/dbraw/zinc/11/43/36/388114336.db2.gz IVNAJIAEHQRRDN-NSHDSACASA-N 1 2 211.309 1.296 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ncc(C)o1 ZINC000454333999 388114452 /nfs/dbraw/zinc/11/44/52/388114452.db2.gz SNCIWEMRQTZHFQ-SECBINFHSA-N 1 2 248.286 1.690 20 0 BDADLO CC[C@H](F)C[N@H+](CC(N)=O)Cc1ccccc1 ZINC000440700364 388069009 /nfs/dbraw/zinc/06/90/09/388069009.db2.gz FNUPQKXTXFUSOF-LBPRGKRZSA-N 1 2 238.306 1.722 20 0 BDADLO CC[C@H](F)C[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000440700364 388069012 /nfs/dbraw/zinc/06/90/12/388069012.db2.gz FNUPQKXTXFUSOF-LBPRGKRZSA-N 1 2 238.306 1.722 20 0 BDADLO C[C@@H]([NH2+]C1CCOCC1)C(=O)OC(C)(C)C ZINC000085494240 388090217 /nfs/dbraw/zinc/09/02/17/388090217.db2.gz YMWGNJKFAAUGRH-SECBINFHSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000447837084 388097002 /nfs/dbraw/zinc/09/70/02/388097002.db2.gz SIRWDTDDYLWHKZ-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000447837084 388097004 /nfs/dbraw/zinc/09/70/04/388097004.db2.gz SIRWDTDDYLWHKZ-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000447868840 388099635 /nfs/dbraw/zinc/09/96/35/388099635.db2.gz NFYFPJKBDDGMAV-QMMMGPOBSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000447868840 388099636 /nfs/dbraw/zinc/09/96/36/388099636.db2.gz NFYFPJKBDDGMAV-QMMMGPOBSA-N 1 2 227.333 1.049 20 0 BDADLO COc1csc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000086409602 388102265 /nfs/dbraw/zinc/10/22/65/388102265.db2.gz VDNWWSWBFWGICV-UHFFFAOYSA-N 1 2 237.284 1.410 20 0 BDADLO CCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454185941 388105281 /nfs/dbraw/zinc/10/52/81/388105281.db2.gz ALJAEIGTYCUDGB-SECBINFHSA-N 1 2 224.308 1.673 20 0 BDADLO Cc1cc(NC(=O)NCCCF)cc[nH+]1 ZINC000119184324 388108689 /nfs/dbraw/zinc/10/86/89/388108689.db2.gz NPPUVYQUWKZJGV-UHFFFAOYSA-N 1 2 211.240 1.871 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000440496783 388044865 /nfs/dbraw/zinc/04/48/65/388044865.db2.gz FZLVVVMIARDIOH-SRVKXCTJSA-N 1 2 243.322 1.805 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000440496783 388044867 /nfs/dbraw/zinc/04/48/67/388044867.db2.gz FZLVVVMIARDIOH-SRVKXCTJSA-N 1 2 243.322 1.805 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000440496786 388045881 /nfs/dbraw/zinc/04/58/81/388045881.db2.gz FZLVVVMIARDIOH-TUAOUCFPSA-N 1 2 243.322 1.805 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000440496786 388045885 /nfs/dbraw/zinc/04/58/85/388045885.db2.gz FZLVVVMIARDIOH-TUAOUCFPSA-N 1 2 243.322 1.805 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1conc1C)CC2 ZINC000646156324 388157791 /nfs/dbraw/zinc/15/77/91/388157791.db2.gz IIKQEDKVGQJHDT-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO Cc1ncccc1C[NH2+]C(CF)CF ZINC000449380003 388187645 /nfs/dbraw/zinc/18/76/45/388187645.db2.gz LMWHSWWEMDHWFS-UHFFFAOYSA-N 1 2 200.232 1.787 20 0 BDADLO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000164145405 388161076 /nfs/dbraw/zinc/16/10/76/388161076.db2.gz UKGRSJIZELQIKT-JTQLQIEISA-N 1 2 211.309 1.296 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cs1 ZINC000449258292 388163196 /nfs/dbraw/zinc/16/31/96/388163196.db2.gz MMLAIVYPFOVOLX-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cs1 ZINC000449258292 388163197 /nfs/dbraw/zinc/16/31/97/388163197.db2.gz MMLAIVYPFOVOLX-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC ZINC000449255189 388163538 /nfs/dbraw/zinc/16/35/38/388163538.db2.gz BJJKOYYHSJQSGX-CHWFTXMASA-N 1 2 229.320 1.484 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cc(C)on1 ZINC000195514542 388165370 /nfs/dbraw/zinc/16/53/70/388165370.db2.gz OHWSTRQXKDKZAT-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260840 388171796 /nfs/dbraw/zinc/17/17/96/388171796.db2.gz LVYVVIRHSPNYDK-SECBINFHSA-N 1 2 221.304 1.587 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260840 388171798 /nfs/dbraw/zinc/17/17/98/388171798.db2.gz LVYVVIRHSPNYDK-SECBINFHSA-N 1 2 221.304 1.587 20 0 BDADLO O=C(C(C1CC1)C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259645 388171953 /nfs/dbraw/zinc/17/19/53/388171953.db2.gz QEAAWVJKJHFVLV-UHFFFAOYSA-N 1 2 245.326 1.731 20 0 BDADLO O=C(C(C1CC1)C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259645 388171954 /nfs/dbraw/zinc/17/19/54/388171954.db2.gz QEAAWVJKJHFVLV-UHFFFAOYSA-N 1 2 245.326 1.731 20 0 BDADLO Cc1nscc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646261791 388172829 /nfs/dbraw/zinc/17/28/29/388172829.db2.gz XJTXNTZXVUSUKH-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO Cc1nscc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646261791 388172831 /nfs/dbraw/zinc/17/28/31/388172831.db2.gz XJTXNTZXVUSUKH-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cccc(C)c1F ZINC000449337532 388176013 /nfs/dbraw/zinc/17/60/13/388176013.db2.gz CCBRPYZRQRTSNT-UHFFFAOYSA-N 1 2 238.306 1.831 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cccc(C)c1F ZINC000449337532 388176015 /nfs/dbraw/zinc/17/60/15/388176015.db2.gz CCBRPYZRQRTSNT-UHFFFAOYSA-N 1 2 238.306 1.831 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccncc1F ZINC000449341937 388176810 /nfs/dbraw/zinc/17/68/10/388176810.db2.gz XQBFNVRGJGDDQW-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccncc1F ZINC000449341937 388176811 /nfs/dbraw/zinc/17/68/11/388176811.db2.gz XQBFNVRGJGDDQW-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@H](C)O ZINC000488537863 388185049 /nfs/dbraw/zinc/18/50/49/388185049.db2.gz RCHJPVSCQXECLM-ONGXEEELSA-N 1 2 241.331 1.221 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218064 388185875 /nfs/dbraw/zinc/18/58/75/388185875.db2.gz RGNRZNKXAIUDAY-SDDRHHMPSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218064 388185878 /nfs/dbraw/zinc/18/58/78/388185878.db2.gz RGNRZNKXAIUDAY-SDDRHHMPSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1nc(N[C@H](C2CC2)C2CCC2)nc(N)[nH+]1 ZINC000324878677 388125918 /nfs/dbraw/zinc/12/59/18/388125918.db2.gz JWOWGBAOIYFCOL-JTQLQIEISA-N 1 2 233.319 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H](C2CC2)C2CCC2)[nH+]1 ZINC000324878677 388125919 /nfs/dbraw/zinc/12/59/19/388125919.db2.gz JWOWGBAOIYFCOL-JTQLQIEISA-N 1 2 233.319 1.753 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000449014065 388129442 /nfs/dbraw/zinc/12/94/42/388129442.db2.gz NXXXQQHLUQYNNC-NXEZZACHSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000449014065 388129444 /nfs/dbraw/zinc/12/94/44/388129444.db2.gz NXXXQQHLUQYNNC-NXEZZACHSA-N 1 2 238.335 1.216 20 0 BDADLO CC[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)C(F)F ZINC000455052808 388147211 /nfs/dbraw/zinc/14/72/11/388147211.db2.gz ZMWDLDBCKALRQX-SECBINFHSA-N 1 2 243.257 1.977 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC2(CCCC2)O1 ZINC000646135093 388152573 /nfs/dbraw/zinc/15/25/73/388152573.db2.gz CLEFAVYZAYRFEU-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC2(CCCC2)O1 ZINC000646135093 388152575 /nfs/dbraw/zinc/15/25/75/388152575.db2.gz CLEFAVYZAYRFEU-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO CC(C)[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449660911 388249159 /nfs/dbraw/zinc/24/91/59/388249159.db2.gz YPCCNWINIMAMKH-NXEZZACHSA-N 1 2 248.317 1.640 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000449669227 388249267 /nfs/dbraw/zinc/24/92/67/388249267.db2.gz XTRWHMKXTQLREH-VHSXEESVSA-N 1 2 215.293 1.095 20 0 BDADLO O=C(CCC1CC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449657239 388249976 /nfs/dbraw/zinc/24/99/76/388249976.db2.gz OFRUTKREALYCBC-JTQLQIEISA-N 1 2 246.301 1.538 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)C2CC2)[nH+]1 ZINC000518547193 256579217 /nfs/dbraw/zinc/57/92/17/256579217.db2.gz YAZRFVLZMLANRL-UHFFFAOYSA-N 1 2 207.277 1.479 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000456304569 388193644 /nfs/dbraw/zinc/19/36/44/388193644.db2.gz VURIRBPQSWWXNQ-AAEUAGOBSA-N 1 2 249.358 1.761 20 0 BDADLO CCCN(CC(N)=O)c1cc[nH+]c(C(C)C)n1 ZINC000488754359 388194142 /nfs/dbraw/zinc/19/41/42/388194142.db2.gz UGDJMQSLAZSSEO-UHFFFAOYSA-N 1 2 236.319 1.302 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CC1CC1 ZINC000456388074 388198298 /nfs/dbraw/zinc/19/82/98/388198298.db2.gz NTOJYQQAOXDPFL-VIFPVBQESA-N 1 2 221.304 1.880 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnc(C)[nH]1 ZINC000456399095 388199710 /nfs/dbraw/zinc/19/97/10/388199710.db2.gz UMVFOOZTWMHGSY-MRVPVSSYSA-N 1 2 247.302 1.426 20 0 BDADLO Cc1cc(N(C)Cc2nncn2C(C)C)nc[nH+]1 ZINC000488959907 388199905 /nfs/dbraw/zinc/19/99/05/388199905.db2.gz GJWYUCCUEDUOGD-UHFFFAOYSA-N 1 2 246.318 1.594 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456863576 388227790 /nfs/dbraw/zinc/22/77/90/388227790.db2.gz RGXUQIKXXJPPST-CHWSQXEVSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1nc(N2C[C@@H](C)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000489959077 388228773 /nfs/dbraw/zinc/22/87/73/388228773.db2.gz XQSOEQZYFHLWSG-UWVGGRQHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC000489959077 388228775 /nfs/dbraw/zinc/22/87/75/388228775.db2.gz XQSOEQZYFHLWSG-UWVGGRQHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N2C[C@H](C)CC2(C)C)nc(N(C)C)[nH+]1 ZINC000490062626 388233721 /nfs/dbraw/zinc/23/37/21/388233721.db2.gz QGXCZHNBLLBEAC-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)CC2(C)C)[nH+]1 ZINC000490062626 388233722 /nfs/dbraw/zinc/23/37/22/388233722.db2.gz QGXCZHNBLLBEAC-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N2C[C@@H]3CCC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000490139925 388235230 /nfs/dbraw/zinc/23/52/30/388235230.db2.gz PODNQRCHCDNHLE-QWRGUYRKSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H]3CCC[C@H]3C2)[nH+]1 ZINC000490139925 388235231 /nfs/dbraw/zinc/23/52/31/388235231.db2.gz PODNQRCHCDNHLE-QWRGUYRKSA-N 1 2 247.346 1.482 20 0 BDADLO COc1cc(C)c(C[NH+]2CC(OC)C2)c(C)n1 ZINC000459577667 388246324 /nfs/dbraw/zinc/24/63/24/388246324.db2.gz HOWRBCUHOPPUSZ-UHFFFAOYSA-N 1 2 236.315 1.538 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnn[nH]2)CC1(C)C ZINC000451557501 388281615 /nfs/dbraw/zinc/28/16/15/388281615.db2.gz PIDCZJLVYAFIFI-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnn[nH]2)CC1(C)C ZINC000451557501 388281616 /nfs/dbraw/zinc/28/16/16/388281616.db2.gz PIDCZJLVYAFIFI-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2c[nH]nn2)CC1(C)C ZINC000451557501 388281617 /nfs/dbraw/zinc/28/16/17/388281617.db2.gz PIDCZJLVYAFIFI-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2c[nH]nn2)CC1(C)C ZINC000451557501 388281618 /nfs/dbraw/zinc/28/16/18/388281618.db2.gz PIDCZJLVYAFIFI-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn[nH]n2)CC1(C)C ZINC000451557501 388281619 /nfs/dbraw/zinc/28/16/19/388281619.db2.gz PIDCZJLVYAFIFI-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn[nH]n2)CC1(C)C ZINC000451557501 388281620 /nfs/dbraw/zinc/28/16/20/388281620.db2.gz PIDCZJLVYAFIFI-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1cccnc1 ZINC000491448764 388295185 /nfs/dbraw/zinc/29/51/85/388295185.db2.gz KSMMWDZRBHWWRR-PLNGDYQASA-N 1 2 242.282 1.145 20 0 BDADLO Cn1ncnc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451781525 388295227 /nfs/dbraw/zinc/29/52/27/388295227.db2.gz PMINCZPRPMTIEB-JTQLQIEISA-N 1 2 240.351 1.044 20 0 BDADLO Cn1ncnc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451781525 388295229 /nfs/dbraw/zinc/29/52/29/388295229.db2.gz PMINCZPRPMTIEB-JTQLQIEISA-N 1 2 240.351 1.044 20 0 BDADLO CC(C)OCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451830108 388299311 /nfs/dbraw/zinc/29/93/11/388299311.db2.gz HHXIODLSUDRJLD-JTQLQIEISA-N 1 2 239.306 1.749 20 0 BDADLO CC(C)OCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451830108 388299312 /nfs/dbraw/zinc/29/93/12/388299312.db2.gz HHXIODLSUDRJLD-JTQLQIEISA-N 1 2 239.306 1.749 20 0 BDADLO C[C@H](O)C[N@H+](CC[C@H]1CCCO1)CC(F)F ZINC000451826832 388299318 /nfs/dbraw/zinc/29/93/18/388299318.db2.gz FULLCEONXCMHCH-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@H](O)C[N@@H+](CC[C@H]1CCCO1)CC(F)F ZINC000451826832 388299320 /nfs/dbraw/zinc/29/93/20/388299320.db2.gz FULLCEONXCMHCH-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\C(C)(C)C ZINC000491840469 388324091 /nfs/dbraw/zinc/32/40/91/388324091.db2.gz BCAWEFKUTOETHV-WAYWQWQTSA-N 1 2 221.304 1.970 20 0 BDADLO O=C(/C=C\C1CC1)NCCCNc1cccc[nH+]1 ZINC000491916268 388327749 /nfs/dbraw/zinc/32/77/49/388327749.db2.gz RROOOMWZXGWRTI-FPLPWBNLSA-N 1 2 245.326 1.966 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)/C=C\C1CC1 ZINC000491947585 388329194 /nfs/dbraw/zinc/32/91/94/388329194.db2.gz ZAMKALQUTOKHBG-FPLPWBNLSA-N 1 2 245.326 1.730 20 0 BDADLO O=C(/C=C\C1CC1)NCc1cn2ccccc2[nH+]1 ZINC000491945697 388329219 /nfs/dbraw/zinc/32/92/19/388329219.db2.gz PHPBHLTUOOEVNS-SREVYHEPSA-N 1 2 241.294 1.917 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)NCCCn1cc[nH+]c1 ZINC000491979169 388330517 /nfs/dbraw/zinc/33/05/17/388330517.db2.gz RTMSBRJPMFNGHK-PLNGDYQASA-N 1 2 244.298 1.431 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CCN1c1cc(C)[nH+]cn1 ZINC000491233560 388278522 /nfs/dbraw/zinc/27/85/22/388278522.db2.gz BQVJVZSADWTNJL-LLVKDONJSA-N 1 2 248.330 1.232 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451508253 388278708 /nfs/dbraw/zinc/27/87/08/388278708.db2.gz MUQMWLRCDHXGMC-GDPRMGEGSA-N 1 2 229.320 1.199 20 0 BDADLO CC[C@@H](NC(=O)/C=C/C1CC1)c1[nH]cc[nH+]1 ZINC000492007865 388331419 /nfs/dbraw/zinc/33/14/19/388331419.db2.gz YBDPUPJOKBOVIK-BRAIEQGRSA-N 1 2 219.288 1.943 20 0 BDADLO CC[C@@H](NC(=O)C=CC1CC1)c1[nH]cc[nH+]1 ZINC000492007865 388331420 /nfs/dbraw/zinc/33/14/20/388331420.db2.gz YBDPUPJOKBOVIK-BRAIEQGRSA-N 1 2 219.288 1.943 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccsc1 ZINC000492295722 388340745 /nfs/dbraw/zinc/34/07/45/388340745.db2.gz DTUCQEVLBQNNSP-IHWYPQMZSA-N 1 2 247.323 1.811 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)C ZINC000492300626 388340888 /nfs/dbraw/zinc/34/08/88/388340888.db2.gz RIOULNUTHIWMQR-SREVYHEPSA-N 1 2 221.304 1.831 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ncn(C)n1 ZINC000275476757 388344900 /nfs/dbraw/zinc/34/49/00/388344900.db2.gz BTDZXFXIFFXFRM-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CO[C@@H]1CN(c2cc(CO)cc[nH+]2)CC[C@H]1C ZINC000300024614 388345019 /nfs/dbraw/zinc/34/50/19/388345019.db2.gz WTUUSXQIENLFEM-ZYHUDNBSSA-N 1 2 236.315 1.435 20 0 BDADLO C[C@H]([NH2+]CCOc1ccccc1)c1ncn(C)n1 ZINC000275445693 388345180 /nfs/dbraw/zinc/34/51/80/388345180.db2.gz APCKHJRYTUSDQD-NSHDSACASA-N 1 2 246.314 1.545 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ncn(C)n1 ZINC000275851124 388345802 /nfs/dbraw/zinc/34/58/02/388345802.db2.gz ROHJASRVQSLKTM-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000275751992 388346281 /nfs/dbraw/zinc/34/62/81/388346281.db2.gz QUVPFEWPVFXMIC-MNOVXSKESA-N 1 2 225.288 1.220 20 0 BDADLO CC[C@@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000276726196 388350615 /nfs/dbraw/zinc/35/06/15/388350615.db2.gz DQBPUEYXTAGYBS-MRVPVSSYSA-N 1 2 209.293 1.771 20 0 BDADLO Cc1c(CNc2cc[nH+]cc2F)cnn1C ZINC000277056475 388352619 /nfs/dbraw/zinc/35/26/19/388352619.db2.gz OIGDBDWZMICIPI-UHFFFAOYSA-N 1 2 220.251 1.875 20 0 BDADLO C[N@H+](CCO)Cc1ccc(Cl)nc1Cl ZINC000234295342 388354152 /nfs/dbraw/zinc/35/41/52/388354152.db2.gz ZUGHLHXJTLXJEE-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@@H+](CCO)Cc1ccc(Cl)nc1Cl ZINC000234295342 388354153 /nfs/dbraw/zinc/35/41/53/388354153.db2.gz ZUGHLHXJTLXJEE-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO O=C(c1ccccc1F)N1CC(n2cc[nH+]c2)C1 ZINC000524375847 388356324 /nfs/dbraw/zinc/35/63/24/388356324.db2.gz WGODBMJCAIDOFP-UHFFFAOYSA-N 1 2 245.257 1.719 20 0 BDADLO CC(C)CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524375845 388356561 /nfs/dbraw/zinc/35/65/61/388356561.db2.gz VTGVEOOMIPBSLA-UHFFFAOYSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000524418220 388358870 /nfs/dbraw/zinc/35/88/70/388358870.db2.gz UIDDDSMPIRXGJI-UHFFFAOYSA-N 1 2 241.294 1.889 20 0 BDADLO CCn1nncc1CNc1ccc(C)[nH+]c1C ZINC000572704142 388368020 /nfs/dbraw/zinc/36/80/20/388368020.db2.gz LPOINULIXHYJNU-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H](C)O1 ZINC000227840422 388371699 /nfs/dbraw/zinc/37/16/99/388371699.db2.gz LZHMQFIRTKODCP-KNVOCYPGSA-N 1 2 242.710 1.326 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000572821398 388378960 /nfs/dbraw/zinc/37/89/60/388378960.db2.gz HUXBBABEJZRCMP-VHSXEESVSA-N 1 2 239.319 1.792 20 0 BDADLO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ncccn1 ZINC000519717605 256656849 /nfs/dbraw/zinc/65/68/49/256656849.db2.gz VVJLAHOPEQPAMJ-NSHDSACASA-N 1 2 243.314 1.377 20 0 BDADLO CC[C@H](CC(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000236930740 388386644 /nfs/dbraw/zinc/38/66/44/388386644.db2.gz JTZLMVXALIQKDM-WDEREUQCSA-N 1 2 214.353 1.770 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cscn1 ZINC000492072437 388333701 /nfs/dbraw/zinc/33/37/01/388333701.db2.gz JJAWAJMWSDCMEC-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO C[C@@H](CNC(=O)/C=C\C1CCC1)Cn1cc[nH+]c1 ZINC000492092783 388334432 /nfs/dbraw/zinc/33/44/32/388334432.db2.gz UYRXOMMKDKZYNT-FJOGCWAESA-N 1 2 247.342 1.992 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CC1(F)CC1 ZINC000525979015 388442664 /nfs/dbraw/zinc/44/26/64/388442664.db2.gz QYWBKSIYLKHYJY-SECBINFHSA-N 1 2 237.340 1.244 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CC1(F)CC1 ZINC000525979015 388442665 /nfs/dbraw/zinc/44/26/65/388442665.db2.gz QYWBKSIYLKHYJY-SECBINFHSA-N 1 2 237.340 1.244 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC(C2CC2)CC1 ZINC000646758558 388480791 /nfs/dbraw/zinc/48/07/91/388480791.db2.gz ABMLSBRFSXRFCP-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC(C2CC2)CC1 ZINC000646758558 388480793 /nfs/dbraw/zinc/48/07/93/388480793.db2.gz ABMLSBRFSXRFCP-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)[C@H](C)OC ZINC000309581798 388458031 /nfs/dbraw/zinc/45/80/31/388458031.db2.gz QNQYUPMZEOAGTD-GARJFASQSA-N 1 2 231.336 1.587 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649218682 388459736 /nfs/dbraw/zinc/45/97/36/388459736.db2.gz XIAPFZXOLCNRKO-OUAUKWLOSA-N 1 2 233.315 1.455 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)NC(C)C)CCO1 ZINC000132267918 388461609 /nfs/dbraw/zinc/46/16/09/388461609.db2.gz NGPIYCZAKDELQT-NSHDSACASA-N 1 2 228.336 1.012 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)NC(C)C)CCO1 ZINC000132267918 388461611 /nfs/dbraw/zinc/46/16/11/388461611.db2.gz NGPIYCZAKDELQT-NSHDSACASA-N 1 2 228.336 1.012 20 0 BDADLO C[C@H]1CC[C@H](C)N1c1[nH+]cnc2c1cnn2C ZINC000176920794 388466959 /nfs/dbraw/zinc/46/69/59/388466959.db2.gz MZCFATDHNSVDPN-IUCAKERBSA-N 1 2 231.303 1.741 20 0 BDADLO C[C@@H](CCCCO)Nc1[nH+]cnc2c1cnn2C ZINC000296348275 388422796 /nfs/dbraw/zinc/42/27/96/388422796.db2.gz QVUSBYDPPHFHKE-VIFPVBQESA-N 1 2 249.318 1.326 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2csnn2)C1 ZINC000573167587 388427237 /nfs/dbraw/zinc/42/72/37/388427237.db2.gz PLKODVWQHFRRLH-DTORHVGOSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2csnn2)C1 ZINC000573167587 388427240 /nfs/dbraw/zinc/42/72/40/388427240.db2.gz PLKODVWQHFRRLH-DTORHVGOSA-N 1 2 213.306 1.147 20 0 BDADLO CC[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000193791914 388436459 /nfs/dbraw/zinc/43/64/59/388436459.db2.gz JETPTQDOZVIYRW-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@@H](C)O)s1 ZINC000528509118 388538795 /nfs/dbraw/zinc/53/87/95/388538795.db2.gz QYWOBNJKROLEGL-MRVPVSSYSA-N 1 2 229.349 1.474 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@@H](C)O)s1 ZINC000528509118 388538798 /nfs/dbraw/zinc/53/87/98/388538798.db2.gz QYWOBNJKROLEGL-MRVPVSSYSA-N 1 2 229.349 1.474 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000528529698 388543913 /nfs/dbraw/zinc/54/39/13/388543913.db2.gz ZYVVRJSIIOABCB-FWAPLPHYSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000528529698 388543917 /nfs/dbraw/zinc/54/39/17/388543917.db2.gz ZYVVRJSIIOABCB-FWAPLPHYSA-N 1 2 233.739 1.601 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ncccc1O ZINC000517350138 388547095 /nfs/dbraw/zinc/54/70/95/388547095.db2.gz YQVQSKNAFMHWGR-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ncccc1O ZINC000517350138 388547099 /nfs/dbraw/zinc/54/70/99/388547099.db2.gz YQVQSKNAFMHWGR-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000177750886 388489872 /nfs/dbraw/zinc/48/98/72/388489872.db2.gz OLPSZDWTMUQCBO-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[NH2+]Cc1noc(CC(C)(C)C2CC2)n1 ZINC000405794257 388491341 /nfs/dbraw/zinc/49/13/41/388491341.db2.gz ULOWTYKICURETP-UHFFFAOYSA-N 1 2 209.293 1.768 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)C2)c2[nH+]ccn21 ZINC000648922565 388493689 /nfs/dbraw/zinc/49/36/89/388493689.db2.gz QULHPQDMTLENOQ-FXPVBKGRSA-N 1 2 247.298 1.374 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)C2)c2[nH+]ccn21 ZINC000648922566 388494833 /nfs/dbraw/zinc/49/48/33/388494833.db2.gz QULHPQDMTLENOQ-KKZNHRDASA-N 1 2 247.298 1.374 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(C2CC2)CC1 ZINC000646773773 388495321 /nfs/dbraw/zinc/49/53/21/388495321.db2.gz HUUPJZQVKCGPNJ-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@]1(C)C[N@H+](CC(=O)NC(C)C)CCO1 ZINC000135599297 388502602 /nfs/dbraw/zinc/50/26/02/388502602.db2.gz OCYCUTVGKCLOOE-GFCCVEGCSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@]1(C)C[N@@H+](CC(=O)NC(C)C)CCO1 ZINC000135599297 388502604 /nfs/dbraw/zinc/50/26/04/388502604.db2.gz OCYCUTVGKCLOOE-GFCCVEGCSA-N 1 2 228.336 1.012 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H](O)C1CCC1 ZINC000648937663 388509725 /nfs/dbraw/zinc/50/97/25/388509725.db2.gz RSRFOONXDDENLV-LBPRGKRZSA-N 1 2 245.282 1.434 20 0 BDADLO C/C=C/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000078767215 388513729 /nfs/dbraw/zinc/51/37/29/388513729.db2.gz SJTKQYSXIAWJEF-MQQKCMAXSA-N 1 2 205.261 1.132 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OC ZINC000398046342 388515468 /nfs/dbraw/zinc/51/54/68/388515468.db2.gz BJCGJZQMPPFDKP-TUAOUCFPSA-N 1 2 243.347 1.875 20 0 BDADLO COCc1ccc(C[NH2+]Cc2ccn(C)n2)o1 ZINC000345826951 388516301 /nfs/dbraw/zinc/51/63/01/388516301.db2.gz RACJKPYHISCJMB-UHFFFAOYSA-N 1 2 235.287 1.449 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000345847741 388518037 /nfs/dbraw/zinc/51/80/37/388518037.db2.gz ZTMNBNGXXWVDDG-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000345847741 388518039 /nfs/dbraw/zinc/51/80/39/388518039.db2.gz ZTMNBNGXXWVDDG-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H]1[C@H](C(=O)NCc2[nH+]ccn2C)[C@H]1C1CC1 ZINC000528412498 388521249 /nfs/dbraw/zinc/52/12/49/388521249.db2.gz WNSNAEUGXOFXDW-AXTRIDKLSA-N 1 2 233.315 1.328 20 0 BDADLO CC(C)CN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548191146 388521336 /nfs/dbraw/zinc/52/13/36/388521336.db2.gz BDGRAWPYBLPXDF-UHFFFAOYSA-N 1 2 235.331 1.610 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C(\C)Cl)[C@H](C)C1 ZINC000528406862 388521421 /nfs/dbraw/zinc/52/14/21/388521421.db2.gz SMFHZCDCOGCPIC-WXLQGSQKSA-N 1 2 230.739 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C(\C)Cl)[C@H](C)C1 ZINC000528406862 388521422 /nfs/dbraw/zinc/52/14/22/388521422.db2.gz SMFHZCDCOGCPIC-WXLQGSQKSA-N 1 2 230.739 1.682 20 0 BDADLO C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000548255436 388523270 /nfs/dbraw/zinc/52/32/70/388523270.db2.gz FOBNACRNOHPAAW-JTQLQIEISA-N 1 2 221.304 1.364 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)c1cn[nH]c1)n1cc[nH+]c1 ZINC000516974885 388529683 /nfs/dbraw/zinc/52/96/83/388529683.db2.gz NBJDLUZRABDSHA-ZJUUUORDSA-N 1 2 247.302 1.435 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000528472670 388531127 /nfs/dbraw/zinc/53/11/27/388531127.db2.gz FBXRTLSZYITCGI-UWOJTPNASA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000528472670 388531129 /nfs/dbraw/zinc/53/11/29/388531129.db2.gz FBXRTLSZYITCGI-UWOJTPNASA-N 1 2 235.780 1.972 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000528474395 388531533 /nfs/dbraw/zinc/53/15/33/388531533.db2.gz BKNNZFJXHAYEOI-SNVBAGLBSA-N 1 2 239.290 1.539 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc(CO)ccc1F ZINC000528474395 388531535 /nfs/dbraw/zinc/53/15/35/388531535.db2.gz BKNNZFJXHAYEOI-SNVBAGLBSA-N 1 2 239.290 1.539 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000528485181 388533970 /nfs/dbraw/zinc/53/39/70/388533970.db2.gz ANCZRBQYMFLRIV-PTDYZRSTSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000528485181 388533971 /nfs/dbraw/zinc/53/39/71/388533971.db2.gz ANCZRBQYMFLRIV-PTDYZRSTSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000528485241 388534365 /nfs/dbraw/zinc/53/43/65/388534365.db2.gz BFKLFXLZLWVQRJ-VGANXODHSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000528485241 388534367 /nfs/dbraw/zinc/53/43/67/388534367.db2.gz BFKLFXLZLWVQRJ-VGANXODHSA-N 1 2 216.712 1.292 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528495160 388535251 /nfs/dbraw/zinc/53/52/51/388535251.db2.gz XPAJVLQFNPBVSI-ZETCQYMHSA-N 1 2 227.333 1.228 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528495160 388535254 /nfs/dbraw/zinc/53/52/54/388535254.db2.gz XPAJVLQFNPBVSI-ZETCQYMHSA-N 1 2 227.333 1.228 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253278260 388589044 /nfs/dbraw/zinc/58/90/44/388589044.db2.gz JOLZONCDMYMVNR-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253278260 388589046 /nfs/dbraw/zinc/58/90/46/388589046.db2.gz JOLZONCDMYMVNR-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO COc1cc(NC(=O)CCCn2cc[nH+]c2)[nH]n1 ZINC000529806224 388590470 /nfs/dbraw/zinc/59/04/70/388590470.db2.gz NKUFGRNPVNGEEC-UHFFFAOYSA-N 1 2 249.274 1.034 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000550656943 388612630 /nfs/dbraw/zinc/61/26/30/388612630.db2.gz KAKYBLZMZJLJMD-LBPRGKRZSA-N 1 2 236.315 1.183 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000550656943 388612633 /nfs/dbraw/zinc/61/26/33/388612633.db2.gz KAKYBLZMZJLJMD-LBPRGKRZSA-N 1 2 236.315 1.183 20 0 BDADLO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000188943793 388614975 /nfs/dbraw/zinc/61/49/75/388614975.db2.gz UUEIPYJXRPHEPD-CQSZACIVSA-N 1 2 245.326 1.411 20 0 BDADLO COC[C@H]1CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548813914 388562787 /nfs/dbraw/zinc/56/27/87/388562787.db2.gz XIKUDIZCJVLTMX-NXEZZACHSA-N 1 2 249.314 1.077 20 0 BDADLO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cocn1 ZINC000548873447 388566888 /nfs/dbraw/zinc/56/68/88/388566888.db2.gz WHFGUIQFCQPDCB-LLVKDONJSA-N 1 2 232.287 1.575 20 0 BDADLO CC(C)(C)n1ncnc1COCc1[nH]cc[nH+]1 ZINC000548996220 388570047 /nfs/dbraw/zinc/57/00/47/388570047.db2.gz KYOUDLWBXUWQIQ-UHFFFAOYSA-N 1 2 235.291 1.473 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549081662 388572185 /nfs/dbraw/zinc/57/21/85/388572185.db2.gz AIBBSBUKMPQSSE-JGVFFNPUSA-N 1 2 237.246 1.252 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549081662 388572187 /nfs/dbraw/zinc/57/21/87/388572187.db2.gz AIBBSBUKMPQSSE-JGVFFNPUSA-N 1 2 237.246 1.252 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000528869872 388580027 /nfs/dbraw/zinc/58/00/27/388580027.db2.gz DVKMTPLNOLSQFI-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000528869872 388580030 /nfs/dbraw/zinc/58/00/30/388580030.db2.gz DVKMTPLNOLSQFI-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCCC12CC2 ZINC000528916302 388582642 /nfs/dbraw/zinc/58/26/42/388582642.db2.gz KHYXQCGXRLHWQN-SECBINFHSA-N 1 2 232.283 1.728 20 0 BDADLO CC(C)OCC(=O)NCCCCn1cc[nH+]c1 ZINC000063802069 388665306 /nfs/dbraw/zinc/66/53/06/388665306.db2.gz MMDIRJCLKWCENQ-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000552091051 388668273 /nfs/dbraw/zinc/66/82/73/388668273.db2.gz OSVBUGUTEUANMT-AOOOYVTPSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000552091051 388668277 /nfs/dbraw/zinc/66/82/77/388668277.db2.gz OSVBUGUTEUANMT-AOOOYVTPSA-N 1 2 237.303 1.556 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1ncccc1O ZINC000552124509 388670632 /nfs/dbraw/zinc/67/06/32/388670632.db2.gz ZXAMFGUUYFMEPP-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1ncccc1O ZINC000552124509 388670634 /nfs/dbraw/zinc/67/06/34/388670634.db2.gz ZXAMFGUUYFMEPP-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CC(C)COCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552226589 388683605 /nfs/dbraw/zinc/68/36/05/388683605.db2.gz AWGGOQIZVNBSCS-SNVBAGLBSA-N 1 2 239.319 1.650 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCOCC(F)F ZINC000189564606 388638722 /nfs/dbraw/zinc/63/87/22/388638722.db2.gz BQSTZNLKOOODEI-BDAKNGLRSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCOCC(F)F ZINC000189564606 388638724 /nfs/dbraw/zinc/63/87/24/388638724.db2.gz BQSTZNLKOOODEI-BDAKNGLRSA-N 1 2 223.263 1.377 20 0 BDADLO CC(C)n1cc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000189654760 388640536 /nfs/dbraw/zinc/64/05/36/388640536.db2.gz RLMXZFQCKDMGAZ-UHFFFAOYSA-N 1 2 247.302 1.091 20 0 BDADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)n(C)n1 ZINC000620410089 388646740 /nfs/dbraw/zinc/64/67/40/388646740.db2.gz UFKGLSFHLHHMSW-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223241971 388649948 /nfs/dbraw/zinc/64/99/48/388649948.db2.gz IXBGQZHXODKTED-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223241971 388649949 /nfs/dbraw/zinc/64/99/49/388649949.db2.gz IXBGQZHXODKTED-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO CCOCC[N@H+]([C@@H](C)C(=O)OCC)C1CC1 ZINC000190815304 388656548 /nfs/dbraw/zinc/65/65/48/388656548.db2.gz PZUVGYQPTMDJEJ-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCOCC[N@@H+]([C@@H](C)C(=O)OCC)C1CC1 ZINC000190815304 388656551 /nfs/dbraw/zinc/65/65/51/388656551.db2.gz PZUVGYQPTMDJEJ-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CC(C)n1cc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000191511726 388664266 /nfs/dbraw/zinc/66/42/66/388664266.db2.gz YRCJJWUZKHGUGP-UHFFFAOYSA-N 1 2 247.302 1.160 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1ncc[nH]1 ZINC000067671219 388737831 /nfs/dbraw/zinc/73/78/31/388737831.db2.gz RCEXCZSCYMUYOX-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO COc1ccc[nH+]c1NCCc1cnn(C)c1 ZINC000128206288 388740598 /nfs/dbraw/zinc/74/05/98/388740598.db2.gz OTYBAQZWXSSIHB-UHFFFAOYSA-N 1 2 232.287 1.478 20 0 BDADLO Cc1ccnc(C[N@H+](C)CCc2cnccn2)n1 ZINC000538943223 388742249 /nfs/dbraw/zinc/74/22/49/388742249.db2.gz OQKPMIHAVRVPIU-UHFFFAOYSA-N 1 2 243.314 1.250 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CCc2cnccn2)n1 ZINC000538943223 388742252 /nfs/dbraw/zinc/74/22/52/388742252.db2.gz OQKPMIHAVRVPIU-UHFFFAOYSA-N 1 2 243.314 1.250 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cnccn1 ZINC000539063521 388746056 /nfs/dbraw/zinc/74/60/56/388746056.db2.gz JIDCHFITGGUFHH-KOLCDFICSA-N 1 2 243.314 1.928 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1cscn1 ZINC000195052570 388750405 /nfs/dbraw/zinc/75/04/05/388750405.db2.gz WDRSMOFZNCPORC-UHFFFAOYSA-N 1 2 242.344 1.918 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1cscn1 ZINC000195052570 388750408 /nfs/dbraw/zinc/75/04/08/388750408.db2.gz WDRSMOFZNCPORC-UHFFFAOYSA-N 1 2 242.344 1.918 20 0 BDADLO C[C@@H](O)[C@@H](C)SCc1c[nH+]cn1C ZINC000227770709 388757803 /nfs/dbraw/zinc/75/78/03/388757803.db2.gz JFJFQWCQBWSNQA-HTQZYQBOSA-N 1 2 200.307 1.423 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000251787301 388754623 /nfs/dbraw/zinc/75/46/23/388754623.db2.gz LSIRPNAGUGOKNO-BXKDBHETSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000251787301 388754625 /nfs/dbraw/zinc/75/46/25/388754625.db2.gz LSIRPNAGUGOKNO-BXKDBHETSA-N 1 2 240.303 1.219 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000249061765 388707312 /nfs/dbraw/zinc/70/73/12/388707312.db2.gz QLWUPZYVMZOEEM-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000249061765 388707318 /nfs/dbraw/zinc/70/73/18/388707318.db2.gz QLWUPZYVMZOEEM-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H](C)O1 ZINC000249255216 388713285 /nfs/dbraw/zinc/71/32/85/388713285.db2.gz YINRBKVDRMDRMB-DGCLKSJQSA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H](C)O1 ZINC000249255216 388713289 /nfs/dbraw/zinc/71/32/89/388713289.db2.gz YINRBKVDRMDRMB-DGCLKSJQSA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000249264838 388714225 /nfs/dbraw/zinc/71/42/25/388714225.db2.gz ZIZOVRNCHQRVLB-PWSUYJOCSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000249264838 388714226 /nfs/dbraw/zinc/71/42/26/388714226.db2.gz ZIZOVRNCHQRVLB-PWSUYJOCSA-N 1 2 225.288 1.515 20 0 BDADLO COC(=O)CN(C)Cc1cn2c(cccc2C)[nH+]1 ZINC000193741153 388714636 /nfs/dbraw/zinc/71/46/36/388714636.db2.gz WLQPHWXMFWMJAO-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)CCS1 ZINC000249293465 388715682 /nfs/dbraw/zinc/71/56/82/388715682.db2.gz MROAHVVHJGABLL-RKDXNWHRSA-N 1 2 241.364 1.099 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)CCS1 ZINC000249293465 388715685 /nfs/dbraw/zinc/71/56/85/388715685.db2.gz MROAHVVHJGABLL-RKDXNWHRSA-N 1 2 241.364 1.099 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000249390453 388719710 /nfs/dbraw/zinc/71/97/10/388719710.db2.gz RHLFTDLPVXFVHI-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000249390453 388719712 /nfs/dbraw/zinc/71/97/12/388719712.db2.gz RHLFTDLPVXFVHI-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO CCOCCCCNc1[nH+]cnc2c1cnn2C ZINC000194072997 388722539 /nfs/dbraw/zinc/72/25/39/388722539.db2.gz UQWPTDKDTRMZBB-UHFFFAOYSA-N 1 2 249.318 1.592 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N(C1CCC1)C1CCC1 ZINC000554204548 388803859 /nfs/dbraw/zinc/80/38/59/388803859.db2.gz GQMCAJPSMHMUCR-UHFFFAOYSA-N 1 2 247.342 1.896 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CC(=O)N1 ZINC000648751827 388805944 /nfs/dbraw/zinc/80/59/44/388805944.db2.gz QRDCHHCDNLFEAQ-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CC(=O)N1 ZINC000648751827 388805946 /nfs/dbraw/zinc/80/59/46/388805946.db2.gz QRDCHHCDNLFEAQ-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](O)[C@H](C)C1 ZINC000253185658 388808996 /nfs/dbraw/zinc/80/89/96/388808996.db2.gz KDHLUSRPUUZMIY-NXEZZACHSA-N 1 2 222.288 1.297 20 0 BDADLO O=C(NCCCF)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539809621 388776763 /nfs/dbraw/zinc/77/67/63/388776763.db2.gz HFGFUXCOTJISQL-UHFFFAOYSA-N 1 2 248.261 1.357 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNc1cccnn1)CCC2 ZINC000553507257 388778834 /nfs/dbraw/zinc/77/88/34/388778834.db2.gz USXVGBANZIWFQN-NSHDSACASA-N 1 2 243.314 1.393 20 0 BDADLO CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000554388116 388812991 /nfs/dbraw/zinc/81/29/91/388812991.db2.gz BHZHTDOJDTVEQY-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000336777448 177707016 /nfs/dbraw/zinc/70/70/16/177707016.db2.gz IMXFGOQQXOYKBG-WDEREUQCSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@@H]1CC(NC(=O)Cc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000554515165 388818706 /nfs/dbraw/zinc/81/87/06/388818706.db2.gz YAFFQCUYBHJAGS-QWRGUYRKSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)NC(C)C)cn21 ZINC000069038268 388820940 /nfs/dbraw/zinc/82/09/40/388820940.db2.gz SKLFFWDLEZHSHV-UHFFFAOYSA-N 1 2 246.314 1.850 20 0 BDADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccno1 ZINC000541051477 388838291 /nfs/dbraw/zinc/83/82/91/388838291.db2.gz JRUOGNFYILOIGX-GFCCVEGCSA-N 1 2 248.282 1.506 20 0 BDADLO CCC[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689435 388852949 /nfs/dbraw/zinc/85/29/49/388852949.db2.gz OJMQGUUPEOWKGY-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1ccsc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523700021 388853996 /nfs/dbraw/zinc/85/39/96/388853996.db2.gz LTWVPQNNIQZPNY-UHFFFAOYSA-N 1 2 247.323 1.950 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129611462 388858437 /nfs/dbraw/zinc/85/84/37/388858437.db2.gz DTCSUNHDRRLPKM-SNVBAGLBSA-N 1 2 217.309 1.295 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129611462 388858440 /nfs/dbraw/zinc/85/84/40/388858440.db2.gz DTCSUNHDRRLPKM-SNVBAGLBSA-N 1 2 217.309 1.295 20 0 BDADLO Cc1oncc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000129679647 388864926 /nfs/dbraw/zinc/86/49/26/388864926.db2.gz DADSRJASSOVVRB-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1oncc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000129679647 388864928 /nfs/dbraw/zinc/86/49/28/388864928.db2.gz DADSRJASSOVVRB-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)C)nc1 ZINC000129880152 388872839 /nfs/dbraw/zinc/87/28/39/388872839.db2.gz AKNSMCTUZBEMAY-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)C)nc1 ZINC000129880152 388872842 /nfs/dbraw/zinc/87/28/42/388872842.db2.gz AKNSMCTUZBEMAY-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO c1nc2cc(C[N@@H+]3CCOCC34CC4)ccc2[nH]1 ZINC000555365921 388846611 /nfs/dbraw/zinc/84/66/11/388846611.db2.gz OUIIUHOHCVDRDZ-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1nc2cc(C[N@H+]3CCOCC34CC4)ccc2[nH]1 ZINC000555365921 388846617 /nfs/dbraw/zinc/84/66/17/388846617.db2.gz OUIIUHOHCVDRDZ-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1nc2ccc(C[N@@H+]3CCOCC34CC4)cc2[nH]1 ZINC000555365921 388846620 /nfs/dbraw/zinc/84/66/20/388846620.db2.gz OUIIUHOHCVDRDZ-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1nc2ccc(C[N@H+]3CCOCC34CC4)cc2[nH]1 ZINC000555365921 388846624 /nfs/dbraw/zinc/84/66/24/388846624.db2.gz OUIIUHOHCVDRDZ-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO Cn1cnnc1C[N@H+](C)CCc1ccccc1O ZINC000541389437 388849164 /nfs/dbraw/zinc/84/91/64/388849164.db2.gz KMECRNKZQXLEEE-UHFFFAOYSA-N 1 2 246.314 1.195 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CCc1ccccc1O ZINC000541389437 388849169 /nfs/dbraw/zinc/84/91/69/388849169.db2.gz KMECRNKZQXLEEE-UHFFFAOYSA-N 1 2 246.314 1.195 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000649168922 388887743 /nfs/dbraw/zinc/88/77/43/388887743.db2.gz JZIKRJMTZLUDCX-LPEHRKFASA-N 1 2 219.288 1.637 20 0 BDADLO C[C@H]1SCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000649172345 388889079 /nfs/dbraw/zinc/88/90/79/388889079.db2.gz FDOJCBDCXYWAID-PSASIEDQSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1SCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000649172345 388889083 /nfs/dbraw/zinc/88/90/83/388889083.db2.gz FDOJCBDCXYWAID-PSASIEDQSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000565186106 388922410 /nfs/dbraw/zinc/92/24/10/388922410.db2.gz PKZXZCPINRMYNU-WOPDTQHZSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000565186106 388922413 /nfs/dbraw/zinc/92/24/13/388922413.db2.gz PKZXZCPINRMYNU-WOPDTQHZSA-N 1 2 247.342 1.847 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226408 388927945 /nfs/dbraw/zinc/92/79/45/388927945.db2.gz KUNMWKTYXSPHSW-HZSPNIEDSA-N 1 2 239.407 1.720 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1C[C@H]1C1CCC1 ZINC000565226011 388928657 /nfs/dbraw/zinc/92/86/57/388928657.db2.gz IQYKDNSYXQXNCZ-UWVGGRQHSA-N 1 2 248.330 1.337 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1C[C@H]1C1CCC1 ZINC000565226011 388928659 /nfs/dbraw/zinc/92/86/59/388928659.db2.gz IQYKDNSYXQXNCZ-UWVGGRQHSA-N 1 2 248.330 1.337 20 0 BDADLO Cc1nc(N2CC[C@@H](O)C(C)(C)C2)cc[nH+]1 ZINC000275467467 132205238 /nfs/dbraw/zinc/20/52/38/132205238.db2.gz NNCAAJPRALDCFX-SNVBAGLBSA-N 1 2 221.304 1.382 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccccc2F)n1 ZINC000290188983 388938607 /nfs/dbraw/zinc/93/86/07/388938607.db2.gz SRTRVZFPAIHIFO-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C(F)F ZINC000565373619 388940118 /nfs/dbraw/zinc/94/01/18/388940118.db2.gz QGZKOHLNHSNXFD-RKDXNWHRSA-N 1 2 234.290 1.487 20 0 BDADLO C[C@@H](CC(=O)N(C)c1cnccn1)n1cc[nH+]c1 ZINC000565483330 388949222 /nfs/dbraw/zinc/94/92/22/388949222.db2.gz GLOCOCZHYHCAQT-JTQLQIEISA-N 1 2 245.286 1.287 20 0 BDADLO CC(C)[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000265843440 388993325 /nfs/dbraw/zinc/99/33/25/388993325.db2.gz OHLNHOHTFCAJPW-SNVBAGLBSA-N 1 2 221.304 1.783 20 0 BDADLO CC(=O)CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565838947 388970717 /nfs/dbraw/zinc/97/07/17/388970717.db2.gz UMZRNLYXBPPZAR-UHFFFAOYSA-N 1 2 223.276 1.130 20 0 BDADLO COC[C@H]([NH2+]Cc1ccno1)c1ccco1 ZINC000273473024 389040522 /nfs/dbraw/zinc/04/05/22/389040522.db2.gz GFACNZCDWPUFJH-JTQLQIEISA-N 1 2 222.244 1.745 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000510108405 533292344 /nfs/dbraw/zinc/29/23/44/533292344.db2.gz KTCGIPXGRYPZMQ-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000510108405 533292350 /nfs/dbraw/zinc/29/23/50/533292350.db2.gz KTCGIPXGRYPZMQ-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO COC(=O)CCC[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488019583 533383056 /nfs/dbraw/zinc/38/30/56/533383056.db2.gz YUMDFOCAXKEOEO-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO COC(=O)CCC[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488019583 533383059 /nfs/dbraw/zinc/38/30/59/533383059.db2.gz YUMDFOCAXKEOEO-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@H]1C ZINC000492759730 533443797 /nfs/dbraw/zinc/44/37/97/533443797.db2.gz CQJOAFZZCCIONW-YZKQYGISSA-N 1 2 249.314 1.306 20 0 BDADLO C/C(=C/c1ccccc1)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000255143364 533390917 /nfs/dbraw/zinc/39/09/17/533390917.db2.gz OCNCQWVAYMEMRH-UKVQZPPCSA-N 1 2 244.338 1.910 20 0 BDADLO C/C(=C/c1ccccc1)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000255143364 533390927 /nfs/dbraw/zinc/39/09/27/533390927.db2.gz OCNCQWVAYMEMRH-UKVQZPPCSA-N 1 2 244.338 1.910 20 0 BDADLO CSCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493346054 533553436 /nfs/dbraw/zinc/55/34/36/533553436.db2.gz AUTQAQXPTPEFOX-SNAWJCMRSA-N 1 2 239.344 1.682 20 0 BDADLO OC[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000267265367 132188969 /nfs/dbraw/zinc/18/89/69/132188969.db2.gz YABDWKOKZKDJAV-LLVKDONJSA-N 1 2 243.310 1.839 20 0 BDADLO C[C@H]1CCN(c2ncccn2)C[C@H]1n1cc[nH+]c1 ZINC000268211341 132191808 /nfs/dbraw/zinc/19/18/08/132191808.db2.gz AMKNOISDZQMCFS-NWDGAFQWSA-N 1 2 243.314 1.761 20 0 BDADLO Cc1nc(N2C[C@@H](C)O[C@@H](C3CC3)C2)cc[nH+]1 ZINC000280202294 132209891 /nfs/dbraw/zinc/20/98/91/132209891.db2.gz GCDFPAMTCFIJTE-BXKDBHETSA-N 1 2 233.315 1.789 20 0 BDADLO c1ccc(N2CCO[C@@]3(CCCOC3)C2)[nH+]c1 ZINC000286554424 132215137 /nfs/dbraw/zinc/21/51/37/132215137.db2.gz KABYTNDIOUEVAG-ZDUSSCGKSA-N 1 2 234.299 1.467 20 0 BDADLO c1[nH+]cn2c1CN(c1ccnc(C3CC3)n1)CC2 ZINC000290700703 132217361 /nfs/dbraw/zinc/21/73/61/132217361.db2.gz NLODLRJEPFWFBV-UHFFFAOYSA-N 1 2 241.298 1.571 20 0 BDADLO CC1=CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298541979 132222497 /nfs/dbraw/zinc/22/24/97/132222497.db2.gz DEFLATSXECPTQU-NSHDSACASA-N 1 2 248.330 1.426 20 0 BDADLO CC1=CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000298541979 132222498 /nfs/dbraw/zinc/22/24/98/132222498.db2.gz DEFLATSXECPTQU-NSHDSACASA-N 1 2 248.330 1.426 20 0 BDADLO Cc1cc(N2CCO[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000132251382 132236582 /nfs/dbraw/zinc/23/65/82/132236582.db2.gz FKNPUDDRHOQGCS-VHSXEESVSA-N 1 2 207.277 1.399 20 0 BDADLO CO[C@@H]1CN(c2cc(C)[nH+]cn2)CC[C@H]1C ZINC000302570995 132264316 /nfs/dbraw/zinc/26/43/16/132264316.db2.gz QMGBWAWYNJXIBN-MWLCHTKSSA-N 1 2 221.304 1.646 20 0 BDADLO Cc1nc(N2CCOC(C)(C)[C@H]2C)cc[nH+]1 ZINC000357179613 132272950 /nfs/dbraw/zinc/27/29/50/132272950.db2.gz NGQPJWXLOVBINC-SECBINFHSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)nc[nH+]1 ZINC000357748846 132274996 /nfs/dbraw/zinc/27/49/96/132274996.db2.gz LFOMIAYGMTXMDM-ORMTXKICSA-N 1 2 239.344 1.131 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC2CCC1CC2 ZINC000367358673 132277711 /nfs/dbraw/zinc/27/77/11/132277711.db2.gz NMCKLOWGXBXLOO-UHFFFAOYSA-N 1 2 243.314 1.742 20 0 BDADLO Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)c(C)c(C)[nH+]1 ZINC000376666539 132289588 /nfs/dbraw/zinc/28/95/88/132289588.db2.gz TVPIPDBGCZXSOC-TXEJJXNPSA-N 1 2 233.315 1.769 20 0 BDADLO CC(C)Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000037076094 132295647 /nfs/dbraw/zinc/29/56/47/132295647.db2.gz OGNIEBSCZLPGHP-UHFFFAOYSA-N 1 2 221.304 1.739 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000038436749 132346141 /nfs/dbraw/zinc/34/61/41/132346141.db2.gz INFWUFGHPZCIOJ-ZDUSSCGKSA-N 1 2 246.310 1.124 20 0 BDADLO c1ccc2c(c1)OCCN2CC[NH+]1CCOCC1 ZINC000072024491 132395716 /nfs/dbraw/zinc/39/57/16/132395716.db2.gz ZEGSGCVAQSNFCI-UHFFFAOYSA-N 1 2 248.326 1.218 20 0 BDADLO Cc1c[nH+]c(CN2CCOCC23CCCC3)n1C ZINC000342806947 133599273 /nfs/dbraw/zinc/59/92/73/133599273.db2.gz LLPLCZOKSOMHLA-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000366986654 133815608 /nfs/dbraw/zinc/81/56/08/133815608.db2.gz FNIJAHWARXPFKR-NEPJUHHUSA-N 1 2 247.294 1.285 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000335926668 134008944 /nfs/dbraw/zinc/00/89/44/134008944.db2.gz YQBULPPEMPZVPK-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000335926668 134008945 /nfs/dbraw/zinc/00/89/45/134008945.db2.gz YQBULPPEMPZVPK-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO Fc1cccc2c1CN(Cc1c[nH+]c[nH]1)CCO2 ZINC000335927547 134009340 /nfs/dbraw/zinc/00/93/40/134009340.db2.gz CMHAJVISINUBEP-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Fc1cccc2c1CN(Cc1c[nH]c[nH+]1)CCO2 ZINC000335927547 134009341 /nfs/dbraw/zinc/00/93/41/134009341.db2.gz CMHAJVISINUBEP-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Cc1nn2c(C[NH+]3CC(C)C3)c(C)nc2s1 ZINC000335929016 134009717 /nfs/dbraw/zinc/00/97/17/134009717.db2.gz HVKNTJIIIFUCEP-UHFFFAOYSA-N 1 2 236.344 1.859 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000335939237 134013577 /nfs/dbraw/zinc/01/35/77/134013577.db2.gz WKYOARIWEZAHMG-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO Cc1ccc2[nH]c(C[N@H+](C)CC(N)=O)cc2c1C ZINC000352011802 134035141 /nfs/dbraw/zinc/03/51/41/134035141.db2.gz VRWAPGGZWLHPSH-UHFFFAOYSA-N 1 2 245.326 1.702 20 0 BDADLO Cc1ccc2[nH]c(C[N@@H+](C)CC(N)=O)cc2c1C ZINC000352011802 134035142 /nfs/dbraw/zinc/03/51/42/134035142.db2.gz VRWAPGGZWLHPSH-UHFFFAOYSA-N 1 2 245.326 1.702 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cncs2)c[nH+]1 ZINC000352039127 134045573 /nfs/dbraw/zinc/04/55/73/134045573.db2.gz OGTRLVMIIXSUPH-LURJTMIESA-N 1 2 236.300 1.666 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCOC1 ZINC000336005706 134048712 /nfs/dbraw/zinc/04/87/12/134048712.db2.gz NWYCOTZUBCPBPO-JTQLQIEISA-N 1 2 220.272 1.177 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccccn2)CC[S@@]1=O ZINC000336006499 134049269 /nfs/dbraw/zinc/04/92/69/134049269.db2.gz IUGXZNVULVJTPI-BZNIZROVSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccccn2)CC[S@@]1=O ZINC000336006499 134049270 /nfs/dbraw/zinc/04/92/70/134049270.db2.gz IUGXZNVULVJTPI-BZNIZROVSA-N 1 2 238.356 1.077 20 0 BDADLO CC[NH+]1CCN(C(=O)C2(SC)CC2)CC1 ZINC000336009107 134050475 /nfs/dbraw/zinc/05/04/75/134050475.db2.gz BDUVVFNWMRSRLW-UHFFFAOYSA-N 1 2 228.361 1.046 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000336012776 134052223 /nfs/dbraw/zinc/05/22/23/134052223.db2.gz DYOINMZZBYIRBL-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000336019433 134054082 /nfs/dbraw/zinc/05/40/82/134054082.db2.gz DGMAOFIDRXERTP-PSASIEDQSA-N 1 2 222.292 1.018 20 0 BDADLO CN(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000336036337 134059912 /nfs/dbraw/zinc/05/99/12/134059912.db2.gz XBJPSXCIQIQTSF-QMMMGPOBSA-N 1 2 234.303 1.071 20 0 BDADLO CN(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000336036337 134059913 /nfs/dbraw/zinc/05/99/13/134059913.db2.gz XBJPSXCIQIQTSF-QMMMGPOBSA-N 1 2 234.303 1.071 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CC[C@H](C)C2)c[nH+]1 ZINC000336063352 134069764 /nfs/dbraw/zinc/06/97/64/134069764.db2.gz OHFONJBDOWTWDB-CBAPKCEASA-N 1 2 207.277 1.637 20 0 BDADLO CCOC(=O)C[N@H+](CC[C@H](C)F)C1CC1 ZINC000352118385 134074389 /nfs/dbraw/zinc/07/43/89/134074389.db2.gz RFGFNWRQCBZNHF-VIFPVBQESA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)C[N@@H+](CC[C@H](C)F)C1CC1 ZINC000352118385 134074390 /nfs/dbraw/zinc/07/43/90/134074390.db2.gz RFGFNWRQCBZNHF-VIFPVBQESA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)(C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000336090006 134078050 /nfs/dbraw/zinc/07/80/50/134078050.db2.gz SSVNODAXBQDSHX-UHFFFAOYSA-N 1 2 240.376 1.582 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000336114707 134087813 /nfs/dbraw/zinc/08/78/13/134087813.db2.gz SZGKEQMSRVLZDZ-AWEZNQCLSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000336114707 134087814 /nfs/dbraw/zinc/08/78/14/134087814.db2.gz SZGKEQMSRVLZDZ-AWEZNQCLSA-N 1 2 249.358 1.967 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1=CCC1 ZINC000336119206 134089583 /nfs/dbraw/zinc/08/95/83/134089583.db2.gz LVXYKTRBQPQIKM-UHFFFAOYSA-N 1 2 245.326 1.898 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cncc(F)c1 ZINC000336156376 134105996 /nfs/dbraw/zinc/10/59/96/134105996.db2.gz CMOFOGXQSWXSMY-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cncc(F)c1 ZINC000336156376 134105997 /nfs/dbraw/zinc/10/59/97/134105997.db2.gz CMOFOGXQSWXSMY-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)on1 ZINC000336191057 134123235 /nfs/dbraw/zinc/12/32/35/134123235.db2.gz HNCLAFNQSKCNDB-GWCFXTLKSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)on1 ZINC000336191057 134123236 /nfs/dbraw/zinc/12/32/36/134123236.db2.gz HNCLAFNQSKCNDB-GWCFXTLKSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC1=CCCCC1)C2 ZINC000336196409 134126218 /nfs/dbraw/zinc/12/62/18/134126218.db2.gz IWHLAUAAEVBHEN-UHFFFAOYSA-N 1 2 232.331 1.903 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC1=CCCCC1)C2 ZINC000336196409 134126219 /nfs/dbraw/zinc/12/62/19/134126219.db2.gz IWHLAUAAEVBHEN-UHFFFAOYSA-N 1 2 232.331 1.903 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cccc(O)c1 ZINC000352282300 134130122 /nfs/dbraw/zinc/13/01/22/134130122.db2.gz YASATMAJSSCMHH-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO C[C@H]1C[NH+](Cc2cnn[nH]2)C[C@H](C)S1 ZINC000336201045 134130389 /nfs/dbraw/zinc/13/03/89/134130389.db2.gz NXBYFQMUPJCCQT-YUMQZZPRSA-N 1 2 212.322 1.131 20 0 BDADLO C[C@H]1C[NH+](Cc2c[nH]nn2)C[C@H](C)S1 ZINC000336201045 134130390 /nfs/dbraw/zinc/13/03/90/134130390.db2.gz NXBYFQMUPJCCQT-YUMQZZPRSA-N 1 2 212.322 1.131 20 0 BDADLO C[C@]1(C(=O)NCc2c[nH+]c[nH]2)CC=CCC1 ZINC000336207572 134132595 /nfs/dbraw/zinc/13/25/95/134132595.db2.gz AJUMJDREJYCJSM-LBPRGKRZSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@]1(C(=O)NCc2c[nH]c[nH+]2)CC=CCC1 ZINC000336207572 134132596 /nfs/dbraw/zinc/13/25/96/134132596.db2.gz AJUMJDREJYCJSM-LBPRGKRZSA-N 1 2 219.288 1.772 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2ccncc2F)C1 ZINC000336210105 134133784 /nfs/dbraw/zinc/13/37/84/134133784.db2.gz GOEVBQCKYUKZBR-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000336213006 134135096 /nfs/dbraw/zinc/13/50/96/134135096.db2.gz ZTGIQNAIDABABV-JQWIXIFHSA-N 1 2 249.314 1.047 20 0 BDADLO CC1(C)C[N@H+](Cc2ccncc2F)CCO1 ZINC000336214016 134135475 /nfs/dbraw/zinc/13/54/75/134135475.db2.gz CXZTZRXILSMRNA-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccncc2F)CCO1 ZINC000336214016 134135476 /nfs/dbraw/zinc/13/54/76/134135476.db2.gz CXZTZRXILSMRNA-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000336217064 134137611 /nfs/dbraw/zinc/13/76/11/134137611.db2.gz YXUKCBDENBEPRW-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000336217064 134137612 /nfs/dbraw/zinc/13/76/12/134137612.db2.gz YXUKCBDENBEPRW-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(F)c1 ZINC000168597993 134227770 /nfs/dbraw/zinc/22/77/70/134227770.db2.gz SVMHJSGEGCFBNF-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(F)c1 ZINC000168597993 134227771 /nfs/dbraw/zinc/22/77/71/134227771.db2.gz SVMHJSGEGCFBNF-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO Clc1ccc2[nH+]c(Cn3cncn3)cn2c1 ZINC000172616726 134268343 /nfs/dbraw/zinc/26/83/43/134268343.db2.gz AOYNDWYZDYIIQY-UHFFFAOYSA-N 1 2 233.662 1.628 20 0 BDADLO COC(=O)CN(C)Cc1[nH+]ccn1C(C)C ZINC000175065975 134284262 /nfs/dbraw/zinc/28/42/62/134284262.db2.gz PGBFCDATKRANLR-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000220099260 134298952 /nfs/dbraw/zinc/29/89/52/134298952.db2.gz BBHISSWWCVAIAH-NXEZZACHSA-N 1 2 207.277 1.764 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000179577045 134322156 /nfs/dbraw/zinc/32/21/56/134322156.db2.gz VRHCXBYNQUONAS-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000179577045 134322157 /nfs/dbraw/zinc/32/21/57/134322157.db2.gz VRHCXBYNQUONAS-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000179866583 134324205 /nfs/dbraw/zinc/32/42/05/134324205.db2.gz LEGCDYQRPSYVIP-SNVBAGLBSA-N 1 2 237.347 1.928 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000179866583 134324206 /nfs/dbraw/zinc/32/42/06/134324206.db2.gz LEGCDYQRPSYVIP-SNVBAGLBSA-N 1 2 237.347 1.928 20 0 BDADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000179868397 134324462 /nfs/dbraw/zinc/32/44/62/134324462.db2.gz YQPFXILRMXSVOS-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000179868397 134324463 /nfs/dbraw/zinc/32/44/63/134324463.db2.gz YQPFXILRMXSVOS-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000179935912 134325231 /nfs/dbraw/zinc/32/52/31/134325231.db2.gz NYQPPWRBICVCOV-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000179935912 134325232 /nfs/dbraw/zinc/32/52/32/134325232.db2.gz NYQPPWRBICVCOV-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO CO[C@@H](C)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000182459978 134341909 /nfs/dbraw/zinc/34/19/09/134341909.db2.gz PFGYLORCNDLJTP-WDEREUQCSA-N 1 2 245.363 1.977 20 0 BDADLO COCc1nc(C[NH+]2[C@@H](C)CCC[C@@H]2C)no1 ZINC000182468337 134342014 /nfs/dbraw/zinc/34/20/14/134342014.db2.gz BSMDQLRKJOCOBD-UWVGGRQHSA-N 1 2 239.319 1.979 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)C1CCC1 ZINC000182811839 134344903 /nfs/dbraw/zinc/34/49/03/134344903.db2.gz KXLAIYDKURCBND-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)C1CCC1 ZINC000182811839 134344904 /nfs/dbraw/zinc/34/49/04/134344904.db2.gz KXLAIYDKURCBND-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)C1CC1 ZINC000182658073 134346810 /nfs/dbraw/zinc/34/68/10/134346810.db2.gz SHVXTRNJFXNHAF-UHFFFAOYSA-N 1 2 208.309 1.528 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)C1CC1 ZINC000182658073 134346811 /nfs/dbraw/zinc/34/68/11/134346811.db2.gz SHVXTRNJFXNHAF-UHFFFAOYSA-N 1 2 208.309 1.528 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCN(C)C2=O)cs1 ZINC000227225322 134376234 /nfs/dbraw/zinc/37/62/34/134376234.db2.gz UZQULDYVTJEYPT-IONNQARKSA-N 1 2 239.344 1.333 20 0 BDADLO Clc1ccc2[nH+]c(Cn3ccnn3)cn2c1 ZINC000185353164 134377015 /nfs/dbraw/zinc/37/70/15/134377015.db2.gz ABHCPLULXHNBCN-UHFFFAOYSA-N 1 2 233.662 1.628 20 0 BDADLO C[C@H](CC(N)=O)[NH2+]CC(F)(F)c1ccccc1 ZINC000227904420 134398805 /nfs/dbraw/zinc/39/88/05/134398805.db2.gz UFJYIIYLCOYFMZ-SECBINFHSA-N 1 2 242.269 1.632 20 0 BDADLO CCCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131450628 134630196 /nfs/dbraw/zinc/63/01/96/134630196.db2.gz FPZHOWHGVLHNLD-UHFFFAOYSA-N 1 2 223.320 1.955 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000246283481 134884005 /nfs/dbraw/zinc/88/40/05/134884005.db2.gz CLSBYXOWYXRSBQ-RKDXNWHRSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000246283481 134884008 /nfs/dbraw/zinc/88/40/08/134884008.db2.gz CLSBYXOWYXRSBQ-RKDXNWHRSA-N 1 2 217.334 1.375 20 0 BDADLO CNC(=O)C1CC[NH+](Cc2cscn2)CC1 ZINC000069531059 134900905 /nfs/dbraw/zinc/90/09/05/134900905.db2.gz YTDXWOANDGQSFY-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO C[C@@H]([NH2+]Cc1ccco1)c1nccn1C ZINC000070007163 134906358 /nfs/dbraw/zinc/90/63/58/134906358.db2.gz MZPGSHBLYIEMEX-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000070651437 135002450 /nfs/dbraw/zinc/00/24/50/135002450.db2.gz NHLFJUBEVKFHGL-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000248420071 135008565 /nfs/dbraw/zinc/00/85/65/135008565.db2.gz LLYQCORCGYFCFM-RYUDHWBXSA-N 1 2 239.315 1.996 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000248420071 135008567 /nfs/dbraw/zinc/00/85/67/135008567.db2.gz LLYQCORCGYFCFM-RYUDHWBXSA-N 1 2 239.315 1.996 20 0 BDADLO C[C@H](c1cnccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248609594 135015496 /nfs/dbraw/zinc/01/54/96/135015496.db2.gz HLXIMHSYNYUOHC-GMTAPVOTSA-N 1 2 221.304 1.647 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248997771 135029212 /nfs/dbraw/zinc/02/92/12/135029212.db2.gz PKCCFEOWXDHGMR-YUSALJHKSA-N 1 2 239.315 1.097 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@H](C)C1 ZINC000249102482 135033003 /nfs/dbraw/zinc/03/30/03/135033003.db2.gz GBFVZSWIZADLAN-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@H](C)C1 ZINC000249102482 135033005 /nfs/dbraw/zinc/03/30/05/135033005.db2.gz GBFVZSWIZADLAN-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250706801 135057826 /nfs/dbraw/zinc/05/78/26/135057826.db2.gz WODBLAQRSRRSLS-UKKRHICBSA-N 1 2 241.331 1.341 20 0 BDADLO Cc1ncccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000351628594 135094081 /nfs/dbraw/zinc/09/40/81/135094081.db2.gz MWPSOTDGIRSCLL-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCCc1nc(C[N@H+](C)CC(C)(C)O)no1 ZINC000078779090 135150944 /nfs/dbraw/zinc/15/09/44/135150944.db2.gz SNZUDQRWYTWGLR-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)CC(C)(C)O)no1 ZINC000078779090 135150946 /nfs/dbraw/zinc/15/09/46/135150946.db2.gz SNZUDQRWYTWGLR-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CC=CCC1 ZINC000084081825 135181335 /nfs/dbraw/zinc/18/13/35/135181335.db2.gz CHQVOHUHXVCUAW-VIFPVBQESA-N 1 2 205.261 1.382 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CC=CCC1 ZINC000084081825 135181337 /nfs/dbraw/zinc/18/13/37/135181337.db2.gz CHQVOHUHXVCUAW-VIFPVBQESA-N 1 2 205.261 1.382 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCCS1 ZINC000164033546 135212207 /nfs/dbraw/zinc/21/22/07/135212207.db2.gz YMVUUGWAWGVIOJ-SECBINFHSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCCS1 ZINC000164033441 135212574 /nfs/dbraw/zinc/21/25/74/135212574.db2.gz YMVUUGWAWGVIOJ-VIFPVBQESA-N 1 2 239.344 1.354 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cnc(N)s1 ZINC000261579204 135219996 /nfs/dbraw/zinc/21/99/96/135219996.db2.gz MFFHWMWWFOKMKN-UHFFFAOYSA-N 1 2 243.332 1.110 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cnc(N)s1 ZINC000261579204 135219997 /nfs/dbraw/zinc/21/99/97/135219997.db2.gz MFFHWMWWFOKMKN-UHFFFAOYSA-N 1 2 243.332 1.110 20 0 BDADLO Nc1ncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000261586659 135227902 /nfs/dbraw/zinc/22/79/02/135227902.db2.gz RHEVLLCOXQTFER-SNVBAGLBSA-N 1 2 239.344 1.336 20 0 BDADLO Nc1ncc(C[N@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000261586659 135227904 /nfs/dbraw/zinc/22/79/04/135227904.db2.gz RHEVLLCOXQTFER-SNVBAGLBSA-N 1 2 239.344 1.336 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ncccc2O)nn1 ZINC000342229787 135253960 /nfs/dbraw/zinc/25/39/60/135253960.db2.gz LKKFPKMASPDVPT-UHFFFAOYSA-N 1 2 247.302 1.249 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCC(C)(C)C ZINC000342387188 135270206 /nfs/dbraw/zinc/27/02/06/135270206.db2.gz XXXUEKKCDJBBMP-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCC(C)(C)C ZINC000342387188 135270208 /nfs/dbraw/zinc/27/02/08/135270208.db2.gz XXXUEKKCDJBBMP-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC1CC1 ZINC000342493888 135282846 /nfs/dbraw/zinc/28/28/46/135282846.db2.gz LTCHOHOJDJJKNM-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC1CC1 ZINC000342493888 135282848 /nfs/dbraw/zinc/28/28/48/135282848.db2.gz LTCHOHOJDJJKNM-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342631968 135298601 /nfs/dbraw/zinc/29/86/01/135298601.db2.gz LKTJEEINZQFNMO-NSHDSACASA-N 1 2 238.331 1.968 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342631968 135298602 /nfs/dbraw/zinc/29/86/02/135298602.db2.gz LKTJEEINZQFNMO-NSHDSACASA-N 1 2 238.331 1.968 20 0 BDADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)CCO1 ZINC000342637450 135299698 /nfs/dbraw/zinc/29/96/98/135299698.db2.gz SWUGFPPQWYUITC-YPMHNXCESA-N 1 2 235.331 1.894 20 0 BDADLO CC(C)[C@@H]1C[N@H+]([C@H](C)c2cnccn2)CCO1 ZINC000342637450 135299699 /nfs/dbraw/zinc/29/96/99/135299699.db2.gz SWUGFPPQWYUITC-YPMHNXCESA-N 1 2 235.331 1.894 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342644461 135300307 /nfs/dbraw/zinc/30/03/07/135300307.db2.gz SGWUMKKFYSKCBR-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342644461 135300308 /nfs/dbraw/zinc/30/03/08/135300308.db2.gz SGWUMKKFYSKCBR-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO COCc1cnc(C[NH+]2CCSCC2)s1 ZINC000342678173 135303927 /nfs/dbraw/zinc/30/39/27/135303927.db2.gz SLULJYOCXSBLMS-UHFFFAOYSA-N 1 2 244.385 1.838 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000342719887 135314638 /nfs/dbraw/zinc/31/46/38/135314638.db2.gz CWXBZJJKFFBPHC-SNVBAGLBSA-N 1 2 237.290 1.627 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000342719887 135314640 /nfs/dbraw/zinc/31/46/40/135314640.db2.gz CWXBZJJKFFBPHC-SNVBAGLBSA-N 1 2 237.290 1.627 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2nnnn2C)cc1 ZINC000342725801 135315707 /nfs/dbraw/zinc/31/57/07/135315707.db2.gz ISVMFDSEVXKYJX-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2nnnn2C)cc1 ZINC000342725801 135315709 /nfs/dbraw/zinc/31/57/09/135315709.db2.gz ISVMFDSEVXKYJX-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2ccc[nH]2)n1C ZINC000342779308 135317334 /nfs/dbraw/zinc/31/73/34/135317334.db2.gz KTXVBPHAUADVNB-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1c[nH+]c(CN(CC(F)F)C2CC2)n1C ZINC000342790551 135318844 /nfs/dbraw/zinc/31/88/44/135318844.db2.gz AGTMIECILLGVLC-UHFFFAOYSA-N 1 2 229.274 1.958 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)O[C@H](C)[C@H]2C)n1C ZINC000342795880 135319348 /nfs/dbraw/zinc/31/93/48/135319348.db2.gz DHSSXERNOBPPKO-QJPTWQEYSA-N 1 2 237.347 1.726 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C(=O)OC ZINC000342798182 135320619 /nfs/dbraw/zinc/32/06/19/135320619.db2.gz RYMDPROACXUEAP-MNOVXSKESA-N 1 2 245.363 1.979 20 0 BDADLO Cc1c[nH+]c(CN2CCC(F)(F)C2)n1C ZINC000342799978 135321132 /nfs/dbraw/zinc/32/11/32/135321132.db2.gz PHYFFWMUMPZXQG-UHFFFAOYSA-N 1 2 215.247 1.570 20 0 BDADLO Cc1c[nH+]c(CN2CCOC(C)(C)[C@H]2C)n1C ZINC000342798950 135321396 /nfs/dbraw/zinc/32/13/96/135321396.db2.gz YXZNTPOAELUCDY-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@]1(C)CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342801077 135322303 /nfs/dbraw/zinc/32/23/03/135322303.db2.gz WLXHKKFZVJWWJP-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000334164779 135322795 /nfs/dbraw/zinc/32/27/95/135322795.db2.gz AGEKTECFCHSRET-LBPRGKRZSA-N 1 2 234.278 1.663 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000334164779 135322796 /nfs/dbraw/zinc/32/27/96/135322796.db2.gz AGEKTECFCHSRET-LBPRGKRZSA-N 1 2 234.278 1.663 20 0 BDADLO CC[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262980156 135325887 /nfs/dbraw/zinc/32/58/87/135325887.db2.gz MREIIFOFXUNYIT-VHSXEESVSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1c[nH+]c(CN(C)C[C@H]2CCCO2)n1C ZINC000342769476 135326773 /nfs/dbraw/zinc/32/67/73/135326773.db2.gz SCFZNAZEYOVVKT-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H]2CCCO2)n1C ZINC000342769476 135326774 /nfs/dbraw/zinc/32/67/74/135326774.db2.gz SCFZNAZEYOVVKT-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCO2)n1C ZINC000342769476 135326776 /nfs/dbraw/zinc/32/67/76/135326776.db2.gz SCFZNAZEYOVVKT-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H]3CC[C@@H](C2)O3)n1C ZINC000342778057 135328595 /nfs/dbraw/zinc/32/85/95/135328595.db2.gz JMZMCKAYTWKDQV-PHIMTYICSA-N 1 2 221.304 1.092 20 0 BDADLO CC(C)n1cc(CNc2cccc(CO)[nH+]2)nn1 ZINC000342909493 135334551 /nfs/dbraw/zinc/33/45/51/135334551.db2.gz FCBLPVFSLHAKQO-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO CCC(C)(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334297582 135334791 /nfs/dbraw/zinc/33/47/91/135334791.db2.gz DDIRCKHPGZGCCC-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO OC[C@@H]1C[C@H](F)CN1Cc1cn2ccccc2[nH+]1 ZINC000334297162 135335285 /nfs/dbraw/zinc/33/52/85/135335285.db2.gz MVEYKGBKSHNEBL-JQWIXIFHSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000334297162 135335286 /nfs/dbraw/zinc/33/52/86/135335286.db2.gz MVEYKGBKSHNEBL-JQWIXIFHSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cn2ccccc2n1 ZINC000334297162 135335287 /nfs/dbraw/zinc/33/52/87/135335287.db2.gz MVEYKGBKSHNEBL-JQWIXIFHSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000334294339 135341452 /nfs/dbraw/zinc/34/14/52/135341452.db2.gz SRXRFBIADLVZKF-ZJUUUORDSA-N 1 2 237.278 1.824 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263309652 135345841 /nfs/dbraw/zinc/34/58/41/135345841.db2.gz YJUWZGGWEZQILC-NXEZZACHSA-N 1 2 246.301 1.488 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCCC12CCC2 ZINC000334301137 135346388 /nfs/dbraw/zinc/34/63/88/135346388.db2.gz WQZCTLOCSGKJHO-UHFFFAOYSA-N 1 2 247.342 1.898 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334310060 135350952 /nfs/dbraw/zinc/35/09/52/135350952.db2.gz KKDHCVITIQLFOT-SNVBAGLBSA-N 1 2 245.282 1.739 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334310060 135350953 /nfs/dbraw/zinc/35/09/53/135350953.db2.gz KKDHCVITIQLFOT-SNVBAGLBSA-N 1 2 245.282 1.739 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2cccc(O)c2)c[nH+]1 ZINC000334339983 135357538 /nfs/dbraw/zinc/35/75/38/135357538.db2.gz MRCGYCGPQJXXGA-MRVPVSSYSA-N 1 2 245.282 1.915 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)nc(C)n1 ZINC000343148187 135361544 /nfs/dbraw/zinc/36/15/44/135361544.db2.gz KLSSULJMRVVWHV-UHFFFAOYSA-N 1 2 229.287 1.226 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)NC1CC1 ZINC000334344001 135365465 /nfs/dbraw/zinc/36/54/65/135365465.db2.gz RXBGQTSLYDYRID-JTQLQIEISA-N 1 2 230.311 1.842 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)NC1CC1 ZINC000334344001 135365466 /nfs/dbraw/zinc/36/54/66/135365466.db2.gz RXBGQTSLYDYRID-JTQLQIEISA-N 1 2 230.311 1.842 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000334366271 135373764 /nfs/dbraw/zinc/37/37/64/135373764.db2.gz JAIHUNGURDNKOS-MNOVXSKESA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000334366270 135374052 /nfs/dbraw/zinc/37/40/52/135374052.db2.gz JAIHUNGURDNKOS-GHMZBOCLSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000334366273 135374167 /nfs/dbraw/zinc/37/41/67/135374167.db2.gz JAIHUNGURDNKOS-WDEREUQCSA-N 1 2 233.315 1.314 20 0 BDADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000334379047 135377638 /nfs/dbraw/zinc/37/76/38/135377638.db2.gz YGFIBFXTXGLPRC-SECBINFHSA-N 1 2 219.288 1.066 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334381981 135380954 /nfs/dbraw/zinc/38/09/54/135380954.db2.gz KBCCVDNDKXGEQB-NSHDSACASA-N 1 2 235.331 1.560 20 0 BDADLO CCC1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000334406417 135394075 /nfs/dbraw/zinc/39/40/75/135394075.db2.gz HVPAFLFUBZMCLP-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(F)cn1 ZINC000334415811 135394888 /nfs/dbraw/zinc/39/48/88/135394888.db2.gz NMIYMURUTURYLF-ONGXEEELSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(F)cn1 ZINC000334415811 135394890 /nfs/dbraw/zinc/39/48/90/135394890.db2.gz NMIYMURUTURYLF-ONGXEEELSA-N 1 2 228.242 1.125 20 0 BDADLO CC(C)n1nccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334413111 135396112 /nfs/dbraw/zinc/39/61/12/135396112.db2.gz LROFYRKXXFPJRD-BETUJISGSA-N 1 2 235.331 1.827 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334413111 135396113 /nfs/dbraw/zinc/39/61/13/135396113.db2.gz LROFYRKXXFPJRD-BETUJISGSA-N 1 2 235.331 1.827 20 0 BDADLO c1nc(C[N@@H+]2CCOCC3(CC3)C2)c[nH]1 ZINC000334413404 135396532 /nfs/dbraw/zinc/39/65/32/135396532.db2.gz MLRLKFWYXRETSV-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO c1nc(C[N@H+]2CCOCC3(CC3)C2)c[nH]1 ZINC000334413404 135396533 /nfs/dbraw/zinc/39/65/33/135396533.db2.gz MLRLKFWYXRETSV-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO c1ncc(C[N@@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000334413404 135396535 /nfs/dbraw/zinc/39/65/35/135396535.db2.gz MLRLKFWYXRETSV-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO c1ncc(C[N@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000334413404 135396537 /nfs/dbraw/zinc/39/65/37/135396537.db2.gz MLRLKFWYXRETSV-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCOCC12CC2 ZINC000334412609 135396675 /nfs/dbraw/zinc/39/66/75/135396675.db2.gz NRZLCQYDAUINOW-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ncccc1C[N@H+]1CCOCC12CC2 ZINC000334412609 135396677 /nfs/dbraw/zinc/39/66/77/135396677.db2.gz NRZLCQYDAUINOW-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO CCc1nocc1CN1CCn2c[nH+]cc2C1 ZINC000334426618 135397704 /nfs/dbraw/zinc/39/77/04/135397704.db2.gz VYWKETMVXUHEEV-UHFFFAOYSA-N 1 2 232.287 1.449 20 0 BDADLO Cc1cccnc1CN1CCn2cc[nH+]c2C1 ZINC000334435702 135407894 /nfs/dbraw/zinc/40/78/94/135407894.db2.gz PAHZILBFSRAIOX-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO CO[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000231684496 135628708 /nfs/dbraw/zinc/62/87/08/135628708.db2.gz BSWLWUJSBITYCL-UWVGGRQHSA-N 1 2 207.277 1.764 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc2[nH+]ccn2c1 ZINC000335282651 136000656 /nfs/dbraw/zinc/00/06/56/136000656.db2.gz KHKLNIZIBYTORN-NWDGAFQWSA-N 1 2 241.294 1.863 20 0 BDADLO OCC[N@H+](Cc1ccn(C(F)F)n1)C1CC1 ZINC000347708905 136002724 /nfs/dbraw/zinc/00/27/24/136002724.db2.gz SVHVXFCXGUEGOB-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO OCC[N@@H+](Cc1ccn(C(F)F)n1)C1CC1 ZINC000347708905 136002725 /nfs/dbraw/zinc/00/27/25/136002725.db2.gz SVHVXFCXGUEGOB-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO Cn1c[nH+]cc1COc1cccc2c1OCC2 ZINC000335298652 136007562 /nfs/dbraw/zinc/00/75/62/136007562.db2.gz ILTMHPUPKLDDCU-UHFFFAOYSA-N 1 2 230.267 1.934 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335316483 136025264 /nfs/dbraw/zinc/02/52/64/136025264.db2.gz OCSZMDQNWQRWHU-VXGBXAGGSA-N 1 2 245.326 1.828 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000335313077 136031106 /nfs/dbraw/zinc/03/11/06/136031106.db2.gz MUKWFEBGKVRABT-JTQLQIEISA-N 1 2 220.272 1.086 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000335313077 136031107 /nfs/dbraw/zinc/03/11/07/136031107.db2.gz MUKWFEBGKVRABT-JTQLQIEISA-N 1 2 220.272 1.086 20 0 BDADLO Cc1cc(N2CCC(CCC(N)=O)CC2)nc[nH+]1 ZINC000348105319 136036466 /nfs/dbraw/zinc/03/64/66/136036466.db2.gz LFBINWDNEWGLSS-UHFFFAOYSA-N 1 2 248.330 1.267 20 0 BDADLO CCSCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348212292 136045840 /nfs/dbraw/zinc/04/58/40/136045840.db2.gz RTZKHGKSWXGYMN-AWEZNQCLSA-N 1 2 235.418 1.582 20 0 BDADLO CCSCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348212292 136045841 /nfs/dbraw/zinc/04/58/41/136045841.db2.gz RTZKHGKSWXGYMN-AWEZNQCLSA-N 1 2 235.418 1.582 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348223764 136047559 /nfs/dbraw/zinc/04/75/59/136047559.db2.gz MAODRZVBYQDNJR-MRXNPFEDSA-N 1 2 247.404 1.646 20 0 BDADLO CCCCOCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348223764 136047560 /nfs/dbraw/zinc/04/75/60/136047560.db2.gz MAODRZVBYQDNJR-MRXNPFEDSA-N 1 2 247.404 1.646 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CC(F)(F)F ZINC000348298873 136063435 /nfs/dbraw/zinc/06/34/35/136063435.db2.gz DVCSOJIYROWBBW-UHFFFAOYSA-N 1 2 248.204 1.659 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)NCCn2cc[nH+]c2)C1 ZINC000335342108 136064299 /nfs/dbraw/zinc/06/42/99/136064299.db2.gz CRCBGDWICLKZBW-GHMZBOCLSA-N 1 2 236.319 1.323 20 0 BDADLO CCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000335346313 136066616 /nfs/dbraw/zinc/06/66/16/136066616.db2.gz IUCMIJOMBZPGJA-SNVBAGLBSA-N 1 2 224.329 1.631 20 0 BDADLO CCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000335346313 136066617 /nfs/dbraw/zinc/06/66/17/136066617.db2.gz IUCMIJOMBZPGJA-SNVBAGLBSA-N 1 2 224.329 1.631 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(C2CC2)nn1C ZINC000335349787 136067780 /nfs/dbraw/zinc/06/77/80/136067780.db2.gz LGPOMNXXBVPTCJ-DTORHVGOSA-N 1 2 220.320 1.675 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000335349787 136067781 /nfs/dbraw/zinc/06/77/81/136067781.db2.gz LGPOMNXXBVPTCJ-DTORHVGOSA-N 1 2 220.320 1.675 20 0 BDADLO CC(C)CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335352334 136069499 /nfs/dbraw/zinc/06/94/99/136069499.db2.gz MNZOPARAEYLCDT-LLVKDONJSA-N 1 2 235.331 1.782 20 0 BDADLO C[C@@H](c1nncn1C)[NH+]1CCC(C(F)F)CC1 ZINC000335353902 136070525 /nfs/dbraw/zinc/07/05/25/136070525.db2.gz FBQSELJJCVWECQ-QMMMGPOBSA-N 1 2 244.289 1.853 20 0 BDADLO O[C@@]1(C(F)F)CC[N@H+](Cc2ccncc2F)C1 ZINC000335355541 136070877 /nfs/dbraw/zinc/07/08/77/136070877.db2.gz XNDKQWLAWIFJEK-NSHDSACASA-N 1 2 246.232 1.423 20 0 BDADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2ccncc2F)C1 ZINC000335355541 136070878 /nfs/dbraw/zinc/07/08/78/136070878.db2.gz XNDKQWLAWIFJEK-NSHDSACASA-N 1 2 246.232 1.423 20 0 BDADLO CCN1CN(CCCc2c[nH+]ccc2C)CC1=O ZINC000348441098 136078013 /nfs/dbraw/zinc/07/80/13/136078013.db2.gz SOUIPKADGLVNHH-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)CCc1c[nH+]cn1C ZINC000335368000 136082266 /nfs/dbraw/zinc/08/22/66/136082266.db2.gz QZNDICAKMGTGTK-GHMZBOCLSA-N 1 2 235.331 1.752 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000335371938 136083789 /nfs/dbraw/zinc/08/37/89/136083789.db2.gz PHYWWSQYZGNVJX-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000335371938 136083790 /nfs/dbraw/zinc/08/37/90/136083790.db2.gz PHYWWSQYZGNVJX-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[C@H](C)O1 ZINC000335383887 136088180 /nfs/dbraw/zinc/08/81/80/136088180.db2.gz FYABVWWJENBWAR-WDEREUQCSA-N 1 2 249.314 1.501 20 0 BDADLO Cc1ncsc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000335389317 136089942 /nfs/dbraw/zinc/08/99/42/136089942.db2.gz KAYVUFQTDGBMOS-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000335394756 136092021 /nfs/dbraw/zinc/09/20/21/136092021.db2.gz ITBQIFGHMQPKQO-MWLCHTKSSA-N 1 2 235.287 1.111 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(C)(C(N)=O)C1 ZINC000335397468 136092950 /nfs/dbraw/zinc/09/29/50/136092950.db2.gz YFFHCGVAGUSMGV-UHFFFAOYSA-N 1 2 248.286 1.201 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592967 136103779 /nfs/dbraw/zinc/10/37/79/136103779.db2.gz YBFMVDAFERRRQO-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592967 136103780 /nfs/dbraw/zinc/10/37/80/136103780.db2.gz YBFMVDAFERRRQO-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCCOC2)n1C ZINC000348710217 136117048 /nfs/dbraw/zinc/11/70/48/136117048.db2.gz NXZKIROQZWJCIX-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCOC2)n1C ZINC000348710217 136117049 /nfs/dbraw/zinc/11/70/49/136117049.db2.gz NXZKIROQZWJCIX-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@@H]2CCCOC2)n1C ZINC000348710217 136117050 /nfs/dbraw/zinc/11/70/50/136117050.db2.gz NXZKIROQZWJCIX-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)C1CC1 ZINC000155169811 397749721 /nfs/dbraw/zinc/74/97/21/397749721.db2.gz JRAQSPDILKIPOF-NSHDSACASA-N 1 2 235.331 1.778 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nc(C)c[nH]3)C2)c1 ZINC000628287612 397839123 /nfs/dbraw/zinc/83/91/23/397839123.db2.gz FPVOSCGUOWBBJH-GFCCVEGCSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nc(C)c[nH]3)C2)c1 ZINC000628287612 397839131 /nfs/dbraw/zinc/83/91/31/397839131.db2.gz FPVOSCGUOWBBJH-GFCCVEGCSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H](O)C2)c(C)c[nH+]1 ZINC000650107425 397927932 /nfs/dbraw/zinc/92/79/32/397927932.db2.gz OVXOCSLMFIIEEC-LLVKDONJSA-N 1 2 249.314 1.109 20 0 BDADLO CC[C@H](F)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000440529563 397931265 /nfs/dbraw/zinc/93/12/65/397931265.db2.gz WCHKIUHRQLQQJA-GUBZILKMSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000440529560 397931578 /nfs/dbraw/zinc/93/15/78/397931578.db2.gz WCHKIUHRQLQQJA-AEISUSGSSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000440529560 397931581 /nfs/dbraw/zinc/93/15/81/397931581.db2.gz WCHKIUHRQLQQJA-AEISUSGSSA-N 1 2 221.341 1.576 20 0 BDADLO CCCCc1nc(C[N@@H+]2CC[C@@H](O)[C@H]2C)no1 ZINC000650187985 397968798 /nfs/dbraw/zinc/96/87/98/397968798.db2.gz TZGSGIMLIMGJNG-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1nc(C[N@H+]2CC[C@@H](O)[C@H]2C)no1 ZINC000650187985 397968800 /nfs/dbraw/zinc/96/88/00/397968800.db2.gz TZGSGIMLIMGJNG-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000649552008 397945473 /nfs/dbraw/zinc/94/54/73/397945473.db2.gz UCZQQQMNNBZHNI-BDAKNGLRSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000649552008 397945476 /nfs/dbraw/zinc/94/54/76/397945476.db2.gz UCZQQQMNNBZHNI-BDAKNGLRSA-N 1 2 227.333 1.456 20 0 BDADLO [NH3+]C[C@@H]1CC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000382408635 397946691 /nfs/dbraw/zinc/94/66/91/397946691.db2.gz CHXRFUYHAJNOPD-VXNVDRBHSA-N 1 2 238.360 1.377 20 0 BDADLO COC(=O)C[NH2+]C1(CC(=O)OC)CCCCC1 ZINC000533390365 397949471 /nfs/dbraw/zinc/94/94/71/397949471.db2.gz ZFXDAAOSNISVNI-UHFFFAOYSA-N 1 2 243.303 1.015 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2snnc2C)CCO1 ZINC000649569753 397958810 /nfs/dbraw/zinc/95/88/10/397958810.db2.gz ZCVMNGKBYSWVMA-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2snnc2C)CCO1 ZINC000649569753 397958815 /nfs/dbraw/zinc/95/88/15/397958815.db2.gz ZCVMNGKBYSWVMA-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CN(C[C@H]1CCC[C@@H]1O)c1cccc[nH+]1 ZINC000270015441 397959435 /nfs/dbraw/zinc/95/94/35/397959435.db2.gz VJQMYMFQCCIOAH-MNOVXSKESA-N 1 2 206.289 1.679 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649570981 397960947 /nfs/dbraw/zinc/96/09/47/397960947.db2.gz VKOLMCCGGHZHOZ-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649570981 397960948 /nfs/dbraw/zinc/96/09/48/397960948.db2.gz VKOLMCCGGHZHOZ-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC(=O)NC2)cc[nH+]1 ZINC000110411078 397902265 /nfs/dbraw/zinc/90/22/65/397902265.db2.gz YXTNIROSNHQVGL-SECBINFHSA-N 1 2 234.303 1.291 20 0 BDADLO CCc1nocc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000590605217 397905777 /nfs/dbraw/zinc/90/57/77/397905777.db2.gz FADZFODDHGOAQG-ABKXIKBNSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1nocc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000590605217 397905781 /nfs/dbraw/zinc/90/57/81/397905781.db2.gz FADZFODDHGOAQG-ABKXIKBNSA-N 1 2 244.360 1.436 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371559798 397995203 /nfs/dbraw/zinc/99/52/03/397995203.db2.gz KWDAGBWHLXCHBR-HBNTYKKESA-N 1 2 249.314 1.498 20 0 BDADLO CCc1cc[nH+]cc1NCc1cc[nH]n1 ZINC000650242986 398004418 /nfs/dbraw/zinc/00/44/18/398004418.db2.gz FZSZWTMCQCNUOI-UHFFFAOYSA-N 1 2 202.261 1.979 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](OC(C)C)C2)o1 ZINC000649698252 398046984 /nfs/dbraw/zinc/04/69/84/398046984.db2.gz VOWXOSWOPRNNIP-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](OC(C)C)C2)o1 ZINC000649698252 398046987 /nfs/dbraw/zinc/04/69/87/398046987.db2.gz VOWXOSWOPRNNIP-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccnc1 ZINC000274969856 398017973 /nfs/dbraw/zinc/01/79/73/398017973.db2.gz KJSFDTXTJYVOKO-AAEUAGOBSA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccnc1 ZINC000274969856 398017976 /nfs/dbraw/zinc/01/79/76/398017976.db2.gz KJSFDTXTJYVOKO-AAEUAGOBSA-N 1 2 248.326 1.855 20 0 BDADLO CC1(C)CN(c2cc(CO)cc[nH+]2)CC[C@H]1O ZINC000383797384 398040736 /nfs/dbraw/zinc/04/07/36/398040736.db2.gz NAWYSOXZYNRZJW-LLVKDONJSA-N 1 2 236.315 1.171 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000649693370 398041474 /nfs/dbraw/zinc/04/14/74/398041474.db2.gz AXWIAHVIYXXEHY-UHFFFAOYSA-N 1 2 234.290 1.586 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000649693370 398041475 /nfs/dbraw/zinc/04/14/75/398041475.db2.gz AXWIAHVIYXXEHY-UHFFFAOYSA-N 1 2 234.290 1.586 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@H](C)[C@H](C)O1 ZINC000649591041 397977145 /nfs/dbraw/zinc/97/71/45/397977145.db2.gz LJHPZDSCEXFURB-UTUOFQBUSA-N 1 2 249.358 1.827 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@H](C)[C@H](C)O1 ZINC000649591041 397977148 /nfs/dbraw/zinc/97/71/48/397977148.db2.gz LJHPZDSCEXFURB-UTUOFQBUSA-N 1 2 249.358 1.827 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)[C@H](C)CO1 ZINC000637930115 398042538 /nfs/dbraw/zinc/04/25/38/398042538.db2.gz KMWSRHRKGDXDNC-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)[C@H](C)CO1 ZINC000637930115 398042539 /nfs/dbraw/zinc/04/25/39/398042539.db2.gz KMWSRHRKGDXDNC-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000595302859 397987187 /nfs/dbraw/zinc/98/71/87/397987187.db2.gz MIWWXQMETSYNPQ-RKDXNWHRSA-N 1 2 249.257 1.048 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000595302859 397987189 /nfs/dbraw/zinc/98/71/89/397987189.db2.gz MIWWXQMETSYNPQ-RKDXNWHRSA-N 1 2 249.257 1.048 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccn2C)[C@H](CC)CO1 ZINC000649717396 398064033 /nfs/dbraw/zinc/06/40/33/398064033.db2.gz DQKGYUKXXSVKRZ-VXGBXAGGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccn2C)[C@H](CC)CO1 ZINC000649717396 398064035 /nfs/dbraw/zinc/06/40/35/398064035.db2.gz DQKGYUKXXSVKRZ-VXGBXAGGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](CC)CO1 ZINC000649717396 398064038 /nfs/dbraw/zinc/06/40/38/398064038.db2.gz DQKGYUKXXSVKRZ-VXGBXAGGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)C)[C@@H](C)CO1 ZINC000649730150 398067899 /nfs/dbraw/zinc/06/78/99/398067899.db2.gz MFBGFWXDVSQQDZ-WDEREUQCSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)[C@@H](C)CO1 ZINC000649730150 398067901 /nfs/dbraw/zinc/06/79/01/398067901.db2.gz MFBGFWXDVSQQDZ-WDEREUQCSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@H](C)CO1 ZINC000649735820 398076434 /nfs/dbraw/zinc/07/64/34/398076434.db2.gz RCCTWWBEOSUONE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@H](C)CO1 ZINC000649735820 398076437 /nfs/dbraw/zinc/07/64/37/398076437.db2.gz RCCTWWBEOSUONE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nccn1C ZINC000649715390 398056545 /nfs/dbraw/zinc/05/65/45/398056545.db2.gz ARHIHLQAVCBECU-LLVKDONJSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nccn1C ZINC000649715390 398056550 /nfs/dbraw/zinc/05/65/50/398056550.db2.gz ARHIHLQAVCBECU-LLVKDONJSA-N 1 2 237.347 1.810 20 0 BDADLO Cc1ccc2[nH+]c(CN3CCOC[C@H]3C)cn2c1 ZINC000051687506 398057657 /nfs/dbraw/zinc/05/76/57/398057657.db2.gz FEPRUMDGFZTVLA-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](C)c2nncn2C)o1 ZINC000051723217 398058733 /nfs/dbraw/zinc/05/87/33/398058733.db2.gz TWBLCWPNYIREKK-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO C[C@H](CC(=O)NCCC1CC1)n1cc[nH+]c1 ZINC000649777699 398099002 /nfs/dbraw/zinc/09/90/02/398099002.db2.gz YQOKTARLCVPNFF-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO CCC[C@H](C(=O)Nc1nnc(CC)[nH]1)[NH+](C)C ZINC000182294277 398103286 /nfs/dbraw/zinc/10/32/86/398103286.db2.gz HPUNCLOUIAHLEC-MRVPVSSYSA-N 1 2 239.323 1.036 20 0 BDADLO CCC[C@H](C(=O)Nc1nc(CC)n[nH]1)[NH+](C)C ZINC000182294277 398103291 /nfs/dbraw/zinc/10/32/91/398103291.db2.gz HPUNCLOUIAHLEC-MRVPVSSYSA-N 1 2 239.323 1.036 20 0 BDADLO CCC[C@H](C(=O)Nc1n[nH]c(CC)n1)[NH+](C)C ZINC000182294277 398103294 /nfs/dbraw/zinc/10/32/94/398103294.db2.gz HPUNCLOUIAHLEC-MRVPVSSYSA-N 1 2 239.323 1.036 20 0 BDADLO C[N@H+](CCCCO)CC(=O)c1ccccc1F ZINC000384818438 398107984 /nfs/dbraw/zinc/10/79/84/398107984.db2.gz KGKIGUDTMQVLRX-UHFFFAOYSA-N 1 2 239.290 1.713 20 0 BDADLO C[N@@H+](CCCCO)CC(=O)c1ccccc1F ZINC000384818438 398107987 /nfs/dbraw/zinc/10/79/87/398107987.db2.gz KGKIGUDTMQVLRX-UHFFFAOYSA-N 1 2 239.290 1.713 20 0 BDADLO CO[C@H](C)CN(C)c1cc(CO)cc[nH+]1 ZINC000389592219 398115964 /nfs/dbraw/zinc/11/59/64/398115964.db2.gz MQGRBSAUDKXBPB-SECBINFHSA-N 1 2 210.277 1.045 20 0 BDADLO C[N@@H+](Cc1cocn1)C[C@H](O)Cc1ccccc1 ZINC000293945608 398118410 /nfs/dbraw/zinc/11/84/10/398118410.db2.gz OOPWAALWVMWBIJ-CQSZACIVSA-N 1 2 246.310 1.710 20 0 BDADLO C[N@H+](Cc1cocn1)C[C@H](O)Cc1ccccc1 ZINC000293945608 398118419 /nfs/dbraw/zinc/11/84/19/398118419.db2.gz OOPWAALWVMWBIJ-CQSZACIVSA-N 1 2 246.310 1.710 20 0 BDADLO CC(C)COC(=O)CN(C)Cc1[nH+]ccn1C ZINC000271987983 167021316 /nfs/dbraw/zinc/02/13/16/167021316.db2.gz DFLQEULTHVJJDH-UHFFFAOYSA-N 1 2 239.319 1.051 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376595471 167021574 /nfs/dbraw/zinc/02/15/74/167021574.db2.gz NUZUZMRRWVPBSP-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376595471 167021579 /nfs/dbraw/zinc/02/15/79/167021579.db2.gz NUZUZMRRWVPBSP-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1nncn1C ZINC000087289820 322876538 /nfs/dbraw/zinc/87/65/38/322876538.db2.gz KTYMQCMIPUUTRN-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C)(O)CC2)s1 ZINC000680061326 487529735 /nfs/dbraw/zinc/52/97/35/487529735.db2.gz WATMITOLESEFTE-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H]2COC)s1 ZINC000680060366 487529766 /nfs/dbraw/zinc/52/97/66/487529766.db2.gz SFTDJNRTXQWTRX-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H]2COC)s1 ZINC000680060366 487529767 /nfs/dbraw/zinc/52/97/67/487529767.db2.gz SFTDJNRTXQWTRX-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO C[N@H+](Cc1nnc2ccccn21)[C@@H]1CCCOC1 ZINC000674305436 487557772 /nfs/dbraw/zinc/55/77/72/487557772.db2.gz QITQRXYWWHDCQP-LLVKDONJSA-N 1 2 246.314 1.340 20 0 BDADLO C[N@@H+](Cc1nnc2ccccn21)[C@@H]1CCCOC1 ZINC000674305436 487557773 /nfs/dbraw/zinc/55/77/73/487557773.db2.gz QITQRXYWWHDCQP-LLVKDONJSA-N 1 2 246.314 1.340 20 0 BDADLO C[C@@H](NC(=O)c1cc(C2CC2)on1)c1[nH]cc[nH+]1 ZINC000140989539 487561747 /nfs/dbraw/zinc/56/17/47/487561747.db2.gz WRKBPMTVIQXFMW-SSDOTTSWSA-N 1 2 246.270 1.766 20 0 BDADLO O=C([C@@H]1CC12CCCC2)N1CC(n2cc[nH+]c2)C1 ZINC000530622329 322887669 /nfs/dbraw/zinc/88/76/69/322887669.db2.gz NPQBCHYEUNHTMB-LBPRGKRZSA-N 1 2 245.326 1.847 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@H]1C1CC1 ZINC000674361579 487565524 /nfs/dbraw/zinc/56/55/24/487565524.db2.gz PRSLUDFRBBYLMG-UWVGGRQHSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@H]1C1CC1 ZINC000674361579 487565529 /nfs/dbraw/zinc/56/55/29/487565529.db2.gz PRSLUDFRBBYLMG-UWVGGRQHSA-N 1 2 205.261 1.072 20 0 BDADLO CCC1(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000530676891 322889782 /nfs/dbraw/zinc/88/97/82/322889782.db2.gz DMZUXYIXWVDOGE-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000527005027 487567682 /nfs/dbraw/zinc/56/76/82/487567682.db2.gz UQHMROHQQIWETQ-QJPTWQEYSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000527005027 487567685 /nfs/dbraw/zinc/56/76/85/487567685.db2.gz UQHMROHQQIWETQ-QJPTWQEYSA-N 1 2 249.314 1.026 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000020349976 487567704 /nfs/dbraw/zinc/56/77/04/487567704.db2.gz WGFNRTKROFOXKZ-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO C[C@H]1CCCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000674410027 487570968 /nfs/dbraw/zinc/57/09/68/487570968.db2.gz GKMUWVONHZWEQS-JTQLQIEISA-N 1 2 229.287 1.651 20 0 BDADLO Cc1nc(NCC23CC(C2)CO3)cc[nH+]1 ZINC000528183925 487571573 /nfs/dbraw/zinc/57/15/73/487571573.db2.gz BPBPESNTGONXOB-UHFFFAOYSA-N 1 2 205.261 1.376 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cn1 ZINC000334859902 487573635 /nfs/dbraw/zinc/57/36/35/487573635.db2.gz OIEHYDRTLIVFNC-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cn1 ZINC000334859902 487573637 /nfs/dbraw/zinc/57/36/37/487573637.db2.gz OIEHYDRTLIVFNC-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(O)cc2)CC(=O)N1C ZINC000669718166 487574251 /nfs/dbraw/zinc/57/42/51/487574251.db2.gz WTCAHPICKZODPE-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(O)cc2)CC(=O)N1C ZINC000669718166 487574256 /nfs/dbraw/zinc/57/42/56/487574256.db2.gz WTCAHPICKZODPE-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](CC(F)F)C[C@@H]1O ZINC000680387559 487581351 /nfs/dbraw/zinc/58/13/51/487581351.db2.gz XEVHMZFLZJSIAQ-BDAKNGLRSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](CC(F)F)C[C@@H]1O ZINC000680387559 487581354 /nfs/dbraw/zinc/58/13/54/487581354.db2.gz XEVHMZFLZJSIAQ-BDAKNGLRSA-N 1 2 221.291 1.980 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)CC2(C)C)o1 ZINC000670991380 487582120 /nfs/dbraw/zinc/58/21/20/487582120.db2.gz ARUOICADRCWTFZ-UHFFFAOYSA-N 1 2 237.347 1.817 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)CC2(C)C)o1 ZINC000670991380 487582125 /nfs/dbraw/zinc/58/21/25/487582125.db2.gz ARUOICADRCWTFZ-UHFFFAOYSA-N 1 2 237.347 1.817 20 0 BDADLO COc1ccc[nH+]c1NCCc1ccn(C)n1 ZINC000227240412 322909685 /nfs/dbraw/zinc/90/96/85/322909685.db2.gz RRWXPKIBOFLRPD-UHFFFAOYSA-N 1 2 232.287 1.478 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000680418855 487589090 /nfs/dbraw/zinc/58/90/90/487589090.db2.gz LVFQGPIAEIXQEN-HTQZYQBOSA-N 1 2 235.291 1.523 20 0 BDADLO Cc1cccnc1CN1CCn2c[nH+]cc2C1 ZINC000685850301 487589417 /nfs/dbraw/zinc/58/94/17/487589417.db2.gz FCCXYQOEBVIXTH-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCCO1 ZINC000653873288 487600513 /nfs/dbraw/zinc/60/05/13/487600513.db2.gz ONAWZKKTNBVOEP-NEPJUHHUSA-N 1 2 223.320 1.847 20 0 BDADLO CC[C@H]1C[N@H+](CC)CCN1CC1(C)COC1 ZINC000660734516 409680242 /nfs/dbraw/zinc/68/02/42/409680242.db2.gz CUVUGWXLUQUKAW-LBPRGKRZSA-N 1 2 226.364 1.439 20 0 BDADLO CC[C@H]1C[N@@H+](CC)CCN1CC1(C)COC1 ZINC000660734516 409680253 /nfs/dbraw/zinc/68/02/53/409680253.db2.gz CUVUGWXLUQUKAW-LBPRGKRZSA-N 1 2 226.364 1.439 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660852095 409870008 /nfs/dbraw/zinc/87/00/08/409870008.db2.gz MOSRBJQRZMYNAI-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660852095 409870016 /nfs/dbraw/zinc/87/00/16/409870016.db2.gz MOSRBJQRZMYNAI-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046386184 409968804 /nfs/dbraw/zinc/96/88/04/409968804.db2.gz QBTYSYNAQCCKEU-ONGXEEELSA-N 1 2 233.315 1.420 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000336392987 410202872 /nfs/dbraw/zinc/20/28/72/410202872.db2.gz QZGSYBJORADWSE-ZETCQYMHSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000336392987 410202880 /nfs/dbraw/zinc/20/28/80/410202880.db2.gz QZGSYBJORADWSE-ZETCQYMHSA-N 1 2 231.246 1.855 20 0 BDADLO C[C@@H](NC(=O)Cc1cncs1)c1[nH]cc[nH+]1 ZINC000655403533 410207630 /nfs/dbraw/zinc/20/76/30/410207630.db2.gz WEZKULXDGGLIPX-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO c1cc(C[NH2+][C@@H]2CNc3ccccc3C2)[nH]n1 ZINC000650716804 410350217 /nfs/dbraw/zinc/35/02/17/410350217.db2.gz KDBROJVLQBHOHV-LBPRGKRZSA-N 1 2 228.299 1.536 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)ncn1 ZINC000661170985 410318293 /nfs/dbraw/zinc/31/82/93/410318293.db2.gz JUCLAYNPFNMDCY-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)ncn1 ZINC000661170985 410318296 /nfs/dbraw/zinc/31/82/96/410318296.db2.gz JUCLAYNPFNMDCY-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767866 410416296 /nfs/dbraw/zinc/41/62/96/410416296.db2.gz GVCVBQBTYDIWAV-UWVGGRQHSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767866 410416300 /nfs/dbraw/zinc/41/63/00/410416300.db2.gz GVCVBQBTYDIWAV-UWVGGRQHSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@H](NC(=O)NCCCCF)c1[nH+]ccn1C ZINC000661217464 410365108 /nfs/dbraw/zinc/36/51/08/410365108.db2.gz NTEOSCLJOGERIM-VIFPVBQESA-N 1 2 242.298 1.530 20 0 BDADLO CC[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(F)F ZINC000661252977 410421095 /nfs/dbraw/zinc/42/10/95/410421095.db2.gz UWMSBJXWWLAEJU-MRVPVSSYSA-N 1 2 246.261 1.595 20 0 BDADLO CC[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(F)F ZINC000661252977 410421101 /nfs/dbraw/zinc/42/11/01/410421101.db2.gz UWMSBJXWWLAEJU-MRVPVSSYSA-N 1 2 246.261 1.595 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H](C)n3ncnc32)cc[nH+]1 ZINC000664188405 410512347 /nfs/dbraw/zinc/51/23/47/410512347.db2.gz UMYNENXQULSQRO-VXNVDRBHSA-N 1 2 230.275 1.494 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](C)n3ncnc32)cc[nH+]1 ZINC000664188402 410512448 /nfs/dbraw/zinc/51/24/48/410512448.db2.gz UMYNENXQULSQRO-APPZFPTMSA-N 1 2 230.275 1.494 20 0 BDADLO c1nc(N2CC[C@@H]3C[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000664526659 410596005 /nfs/dbraw/zinc/59/60/05/410596005.db2.gz VZBVFHQKLAIHPY-RKDXNWHRSA-N 1 2 232.287 1.127 20 0 BDADLO c1nc2c(c(N3CC[C@@H]4C[C@@H]4C3)[nH+]1)OCCN2 ZINC000664526659 410596008 /nfs/dbraw/zinc/59/60/08/410596008.db2.gz VZBVFHQKLAIHPY-RKDXNWHRSA-N 1 2 232.287 1.127 20 0 BDADLO CCOCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981050 410661495 /nfs/dbraw/zinc/66/14/95/410661495.db2.gz SGIJLNYTOGDMFL-UHFFFAOYSA-N 1 2 233.271 1.900 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@](C)(CO)C2)nc[nH+]1 ZINC000664596469 410609318 /nfs/dbraw/zinc/60/93/18/410609318.db2.gz SWTKZHDASRIGRY-CABZTGNLSA-N 1 2 221.304 1.240 20 0 BDADLO O[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)CC1(F)F ZINC000661414278 410625037 /nfs/dbraw/zinc/62/50/37/410625037.db2.gz SCTLFZMNJZTMQA-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)CC1(F)F ZINC000661414278 410625041 /nfs/dbraw/zinc/62/50/41/410625041.db2.gz SCTLFZMNJZTMQA-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826711 410638041 /nfs/dbraw/zinc/63/80/41/410638041.db2.gz XDRQFDFLXJDCDE-NEPJUHHUSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826711 410638045 /nfs/dbraw/zinc/63/80/45/410638045.db2.gz XDRQFDFLXJDCDE-NEPJUHHUSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)c1cscn1)C(N)=O ZINC000393617068 410750098 /nfs/dbraw/zinc/75/00/98/410750098.db2.gz HKIDZIVNEQAPOE-NKWVEPMBSA-N 1 2 213.306 1.058 20 0 BDADLO CN(CC1CC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651137657 410831730 /nfs/dbraw/zinc/83/17/30/410831730.db2.gz JUTPTACHIVPQTN-UHFFFAOYSA-N 1 2 247.342 1.630 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1CCCCC(F)(F)F ZINC000661563659 410842030 /nfs/dbraw/zinc/84/20/30/410842030.db2.gz ZVCCCOBEKCTYHE-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO OC[C@@H]1COCC[N@H+]1CCCCC(F)(F)F ZINC000661563659 410842034 /nfs/dbraw/zinc/84/20/34/410842034.db2.gz ZVCCCOBEKCTYHE-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO CCc1cc(NCCC(C)(C)CO)nc[nH+]1 ZINC000395258180 410845373 /nfs/dbraw/zinc/84/53/73/410845373.db2.gz WOBNPUODYPYNEQ-UHFFFAOYSA-N 1 2 223.320 1.281 20 0 BDADLO CC[C@@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000040878120 410892871 /nfs/dbraw/zinc/89/28/71/410892871.db2.gz SWRVEZRBDJRGSC-LLVKDONJSA-N 1 2 222.288 1.189 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000299037766 167049340 /nfs/dbraw/zinc/04/93/40/167049340.db2.gz RHHVJLPGQRZJOY-LLVKDONJSA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000299037766 167049341 /nfs/dbraw/zinc/04/93/41/167049341.db2.gz RHHVJLPGQRZJOY-LLVKDONJSA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134743121 167066738 /nfs/dbraw/zinc/06/67/38/167066738.db2.gz QHYXRQHROCDLEH-UHFFFAOYSA-N 1 2 224.308 1.323 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000340346895 167167614 /nfs/dbraw/zinc/16/76/14/167167614.db2.gz ATIXKLUIJPIZPR-SECBINFHSA-N 1 2 217.334 1.375 20 0 BDADLO CC(C)OC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000093773083 167170840 /nfs/dbraw/zinc/17/08/40/167170840.db2.gz NSOOWXRKCKTIRE-VIFPVBQESA-N 1 2 225.292 1.182 20 0 BDADLO CC(C)OC(=O)[C@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000093773083 167170842 /nfs/dbraw/zinc/17/08/42/167170842.db2.gz NSOOWXRKCKTIRE-VIFPVBQESA-N 1 2 225.292 1.182 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651310723 410915505 /nfs/dbraw/zinc/91/55/05/410915505.db2.gz VGUSHLFIUVNPJE-GHMZBOCLSA-N 1 2 233.315 1.852 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336311358 167366697 /nfs/dbraw/zinc/36/66/97/167366697.db2.gz HQIIXWVMMJSPAH-NEPJUHHUSA-N 1 2 249.358 1.948 20 0 BDADLO CC(C)[C@@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000271678684 167374700 /nfs/dbraw/zinc/37/47/00/167374700.db2.gz HZELSBNYWPSWLN-SNVBAGLBSA-N 1 2 238.335 1.606 20 0 BDADLO Cc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)[nH]n1 ZINC000651340689 410924076 /nfs/dbraw/zinc/92/40/76/410924076.db2.gz GGSWXALHPJGCKT-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO Cc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC000651340689 410924083 /nfs/dbraw/zinc/92/40/83/410924083.db2.gz GGSWXALHPJGCKT-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO CC[N@H+](CCOC)CC(=O)c1ccccc1F ZINC000042493937 411011871 /nfs/dbraw/zinc/01/18/71/411011871.db2.gz LMGNBISKXPXZPD-UHFFFAOYSA-N 1 2 239.290 1.977 20 0 BDADLO CC[N@@H+](CCOC)CC(=O)c1ccccc1F ZINC000042493937 411011876 /nfs/dbraw/zinc/01/18/76/411011876.db2.gz LMGNBISKXPXZPD-UHFFFAOYSA-N 1 2 239.290 1.977 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000651474387 411058353 /nfs/dbraw/zinc/05/83/53/411058353.db2.gz KETDZEIWOXEZMS-PELKAZGASA-N 1 2 223.320 1.530 20 0 BDADLO O=C1NCCC[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000210160654 411071482 /nfs/dbraw/zinc/07/14/82/411071482.db2.gz BGIJMXFPONFPNY-JTQLQIEISA-N 1 2 245.282 1.196 20 0 BDADLO C[C@H](CO)C1CCN(c2cccc[nH+]2)CC1 ZINC000651431552 411021908 /nfs/dbraw/zinc/02/19/08/411021908.db2.gz JUHRTOUSJONVAP-LLVKDONJSA-N 1 2 220.316 1.926 20 0 BDADLO CCN1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651605907 411129097 /nfs/dbraw/zinc/12/90/97/411129097.db2.gz YZTKXOWFNOVPPQ-UHFFFAOYSA-N 1 2 245.326 1.965 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)[C@@H]2CCCOC2)on1 ZINC000653671575 411163137 /nfs/dbraw/zinc/16/31/37/411163137.db2.gz KCZOSTZYXGMNON-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)[C@@H]2CCCOC2)on1 ZINC000653671575 411163141 /nfs/dbraw/zinc/16/31/41/411163141.db2.gz KCZOSTZYXGMNON-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO C[C@H](CNc1cc[nH+]c(C(=O)[O-])c1)[NH+](C)C ZINC000045110063 411144407 /nfs/dbraw/zinc/14/44/07/411144407.db2.gz AYNPWGRSLXCUNJ-MRVPVSSYSA-N 1 2 223.276 1.142 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2CC)[C@@H](C)CO1 ZINC000651932121 411150707 /nfs/dbraw/zinc/15/07/07/411150707.db2.gz LUFCVNBCEUCKJH-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2CC)[C@@H](C)CO1 ZINC000651932121 411150708 /nfs/dbraw/zinc/15/07/08/411150708.db2.gz LUFCVNBCEUCKJH-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](C)[C@@H](C)CO)no1 ZINC000309549837 167665519 /nfs/dbraw/zinc/66/55/19/167665519.db2.gz HVSDKMKWWHULCP-DTWKUNHWSA-N 1 2 227.308 1.300 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)[C@H]1CCCOC1 ZINC000651948564 411159886 /nfs/dbraw/zinc/15/98/86/411159886.db2.gz PFUVINDPLIGSRG-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)[C@H]1CCCOC1 ZINC000651948564 411159888 /nfs/dbraw/zinc/15/98/88/411159888.db2.gz PFUVINDPLIGSRG-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO c1coc([C@@H]2C[N@H+](CCc3c[nH]nn3)CCO2)c1 ZINC000659992702 411160007 /nfs/dbraw/zinc/16/00/07/411160007.db2.gz FWOLPGJKTBPZPI-LBPRGKRZSA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@@H]2C[N@@H+](CCc3c[nH]nn3)CCO2)c1 ZINC000659992702 411160010 /nfs/dbraw/zinc/16/00/10/411160010.db2.gz FWOLPGJKTBPZPI-LBPRGKRZSA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@@H]2C[N@H+](CCc3cn[nH]n3)CCO2)c1 ZINC000659992702 411160014 /nfs/dbraw/zinc/16/00/14/411160014.db2.gz FWOLPGJKTBPZPI-LBPRGKRZSA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@@H]2C[N@@H+](CCc3cn[nH]n3)CCO2)c1 ZINC000659992702 411160015 /nfs/dbraw/zinc/16/00/15/411160015.db2.gz FWOLPGJKTBPZPI-LBPRGKRZSA-N 1 2 248.286 1.014 20 0 BDADLO C[C@H]1CCCCN1C(=O)N1CCn2c[nH+]cc2C1 ZINC000655594774 411170321 /nfs/dbraw/zinc/17/03/21/411170321.db2.gz ODJPZRMCDXDZSM-NSHDSACASA-N 1 2 248.330 1.693 20 0 BDADLO CC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000048013302 411173800 /nfs/dbraw/zinc/17/38/00/411173800.db2.gz VBWORWNGUMBIHA-UHFFFAOYSA-N 1 2 232.327 1.393 20 0 BDADLO COC[C@H](C[N@H+](CC(F)F)C(C)C)OC ZINC000660017552 411176633 /nfs/dbraw/zinc/17/66/33/411176633.db2.gz MYWBTTGVHYHVGP-VIFPVBQESA-N 1 2 225.279 1.623 20 0 BDADLO COC[C@H](C[N@@H+](CC(F)F)C(C)C)OC ZINC000660017552 411176636 /nfs/dbraw/zinc/17/66/36/411176636.db2.gz MYWBTTGVHYHVGP-VIFPVBQESA-N 1 2 225.279 1.623 20 0 BDADLO O=C(C[N@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000061710938 411178618 /nfs/dbraw/zinc/17/86/18/411178618.db2.gz KRNBPSLVAPWSJH-VIFPVBQESA-N 1 2 223.247 1.075 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000061710938 411178621 /nfs/dbraw/zinc/17/86/21/411178621.db2.gz KRNBPSLVAPWSJH-VIFPVBQESA-N 1 2 223.247 1.075 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1ccoc1C ZINC000656111096 411180833 /nfs/dbraw/zinc/18/08/33/411180833.db2.gz FDNGPJDBSQOLQL-UHFFFAOYSA-N 1 2 234.259 1.581 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1ccoc1C ZINC000656111096 411180835 /nfs/dbraw/zinc/18/08/35/411180835.db2.gz FDNGPJDBSQOLQL-UHFFFAOYSA-N 1 2 234.259 1.581 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@](C)(O)C(C)C ZINC000656125883 411183222 /nfs/dbraw/zinc/18/32/22/411183222.db2.gz VAQKUBJSWQIZEQ-LBPRGKRZSA-N 1 2 239.319 1.613 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656125226 411183298 /nfs/dbraw/zinc/18/32/98/411183298.db2.gz BLWKPLDLYZTUTH-WPRPVWTQSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCn1ccccc1=O ZINC000656125270 411183552 /nfs/dbraw/zinc/18/35/52/411183552.db2.gz GFUMZIIHFQKNOB-UHFFFAOYSA-N 1 2 244.298 1.367 20 0 BDADLO CCC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)C ZINC000653798577 411183903 /nfs/dbraw/zinc/18/39/03/411183903.db2.gz CODXDNPAABOLON-UHFFFAOYSA-N 1 2 248.330 1.643 20 0 BDADLO CCC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)C ZINC000653798577 411183908 /nfs/dbraw/zinc/18/39/08/411183908.db2.gz CODXDNPAABOLON-UHFFFAOYSA-N 1 2 248.330 1.643 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](C)CCO ZINC000656131972 411184836 /nfs/dbraw/zinc/18/48/36/411184836.db2.gz NUNZATDPWXHJKE-MRVPVSSYSA-N 1 2 225.292 1.224 20 0 BDADLO CC[C@H]1CN(c2nc(C)[nH+]cc2C)C[C@H]1O ZINC000656149964 411187608 /nfs/dbraw/zinc/18/76/08/411187608.db2.gz AMMXPGRXZQCAHJ-WDEREUQCSA-N 1 2 221.304 1.301 20 0 BDADLO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ncn(C)n1 ZINC000657983438 411188665 /nfs/dbraw/zinc/18/86/65/411188665.db2.gz QESDPBPNHKRWIX-ZJUUUORDSA-N 1 2 236.319 1.177 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1(OC)CCC1 ZINC000656153768 411188738 /nfs/dbraw/zinc/18/87/38/411188738.db2.gz MXZYCSHYDCLPQC-UHFFFAOYSA-N 1 2 237.303 1.775 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC=CCC1 ZINC000656154584 411188846 /nfs/dbraw/zinc/18/88/46/411188846.db2.gz XWXGUFUBAYWOSY-UHFFFAOYSA-N 1 2 205.261 1.560 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CCOC[C@H]1C ZINC000656178925 411193255 /nfs/dbraw/zinc/19/32/55/411193255.db2.gz GAGVIIJKHXYTGZ-PSASIEDQSA-N 1 2 237.303 1.631 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@H](O)CC1 ZINC000656192542 411198469 /nfs/dbraw/zinc/19/84/69/411198469.db2.gz ZSVJNAOKJYZIFM-SNVBAGLBSA-N 1 2 237.303 1.145 20 0 BDADLO c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCn2ccnc21 ZINC000658024605 411202649 /nfs/dbraw/zinc/20/26/49/411202649.db2.gz MNOIAXPQYFGIJF-QWRGUYRKSA-N 1 2 243.314 1.649 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@H](O)C[C@H](C)C1 ZINC000656197888 411203535 /nfs/dbraw/zinc/20/35/35/411203535.db2.gz DFARWAMVXLFBOU-WCBMZHEXSA-N 1 2 237.303 1.001 20 0 BDADLO Cc1noc(C[N@H+](C)CC[C@H]2CCCCO2)n1 ZINC000653889063 411209908 /nfs/dbraw/zinc/20/99/08/411209908.db2.gz QEHFOKWAFKZZDC-LLVKDONJSA-N 1 2 239.319 1.769 20 0 BDADLO Cc1noc(C[N@@H+](C)CC[C@H]2CCCCO2)n1 ZINC000653889063 411209910 /nfs/dbraw/zinc/20/99/10/411209910.db2.gz QEHFOKWAFKZZDC-LLVKDONJSA-N 1 2 239.319 1.769 20 0 BDADLO COCC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000656213376 411211333 /nfs/dbraw/zinc/21/13/33/411211333.db2.gz BLDPSKHWGHSFQZ-UHFFFAOYSA-N 1 2 243.310 1.890 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1csnn1 ZINC000658037483 411213808 /nfs/dbraw/zinc/21/38/08/411213808.db2.gz WVMXAGCGPOHDJT-IUCAKERBSA-N 1 2 249.343 1.920 20 0 BDADLO CCc1cc(N(C[C@H](C)O)C2CC2)nc(C)[nH+]1 ZINC000656230770 411216461 /nfs/dbraw/zinc/21/64/61/411216461.db2.gz WFRCJWSWQVVFMO-VIFPVBQESA-N 1 2 235.331 1.697 20 0 BDADLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC000652365098 411218071 /nfs/dbraw/zinc/21/80/71/411218071.db2.gz UVDMHQMVLCLLLT-OUAUKWLOSA-N 1 2 221.304 1.701 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C[C@H](C)O)C2CC2)[nH]1 ZINC000653904488 411220295 /nfs/dbraw/zinc/22/02/95/411220295.db2.gz UYMQLRGCLRRWFW-VIFPVBQESA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+](C[C@H](C)O)C2CC2)[nH]1 ZINC000653904488 411220298 /nfs/dbraw/zinc/22/02/98/411220298.db2.gz UYMQLRGCLRRWFW-VIFPVBQESA-N 1 2 238.335 1.273 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)NCCC2CC2)c2[nH+]ccn21 ZINC000652393301 411225485 /nfs/dbraw/zinc/22/54/85/411225485.db2.gz QIRBVLDQVCFRHJ-GXSJLCMTSA-N 1 2 248.330 1.988 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000656276435 411227755 /nfs/dbraw/zinc/22/77/55/411227755.db2.gz JQLKOLSIDSXNNJ-ZETCQYMHSA-N 1 2 221.264 1.294 20 0 BDADLO C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)n1cccn1 ZINC000652410461 411232554 /nfs/dbraw/zinc/23/25/54/411232554.db2.gz NJDFQYYHYGEJID-SECBINFHSA-N 1 2 247.302 1.219 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000653926346 411233234 /nfs/dbraw/zinc/23/32/34/411233234.db2.gz PNLHWFNRAYWEKF-OCCSQVGLSA-N 1 2 245.326 1.530 20 0 BDADLO CC(C)(NC(=O)[C@H]1C[C@@H]1C(F)F)c1[nH]cc[nH+]1 ZINC000652412654 411233324 /nfs/dbraw/zinc/23/33/24/411233324.db2.gz KRXLFSAXTJLRFG-BQBZGAKWSA-N 1 2 243.257 1.662 20 0 BDADLO CCn1nccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652412451 411233617 /nfs/dbraw/zinc/23/36/17/411233617.db2.gz IPQVXFXPMGLQGH-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CCc3cn[nH]c3C2)CO1 ZINC000660119838 411239593 /nfs/dbraw/zinc/23/95/93/411239593.db2.gz YNKPOZNRLFDMRQ-JTQLQIEISA-N 1 2 221.304 1.335 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CCc3cn[nH]c3C2)CO1 ZINC000660119838 411239597 /nfs/dbraw/zinc/23/95/97/411239597.db2.gz YNKPOZNRLFDMRQ-JTQLQIEISA-N 1 2 221.304 1.335 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050817622 411266030 /nfs/dbraw/zinc/26/60/30/411266030.db2.gz MJUFZFOMFUAOOK-UHFFFAOYSA-N 1 2 221.304 1.275 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccc(N)nc1 ZINC000050817622 411266033 /nfs/dbraw/zinc/26/60/33/411266033.db2.gz MJUFZFOMFUAOOK-UHFFFAOYSA-N 1 2 221.304 1.275 20 0 BDADLO Cc1cnccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000092101668 411268561 /nfs/dbraw/zinc/26/85/61/411268561.db2.gz BVAPXNKYKWWDAD-UHFFFAOYSA-N 1 2 231.259 1.435 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(COC)[nH]1)[C@H]1C[C@H]1C ZINC000658155901 411270224 /nfs/dbraw/zinc/27/02/24/411270224.db2.gz DTNLUIAEHNNYMK-UTLUCORTSA-N 1 2 238.335 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000658157620 411271202 /nfs/dbraw/zinc/27/12/02/411271202.db2.gz SKFHOEVYWCPKND-IVZWLZJFSA-N 1 2 236.319 1.229 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453348 411276243 /nfs/dbraw/zinc/27/62/43/411276243.db2.gz UMMSNWUVSVMBLU-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453348 411276245 /nfs/dbraw/zinc/27/62/45/411276245.db2.gz UMMSNWUVSVMBLU-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000658168147 411278565 /nfs/dbraw/zinc/27/85/65/411278565.db2.gz HEJSOSSODMCAIB-XCBNKYQSSA-N 1 2 245.273 1.793 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn(CC)nn1)c1cnn(C)c1 ZINC000658175833 411282062 /nfs/dbraw/zinc/28/20/62/411282062.db2.gz HWFCAYMFEODEOI-GFCCVEGCSA-N 1 2 248.334 1.272 20 0 BDADLO CC(C)c1noc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000653738789 411285757 /nfs/dbraw/zinc/28/57/57/411285757.db2.gz XKRNLQAFSLVFER-IUCAKERBSA-N 1 2 239.319 1.442 20 0 BDADLO Cc1[nH+]c[nH]c1CN=Nc1ccc(Cl)nn1 ZINC000257351214 411292890 /nfs/dbraw/zinc/29/28/90/411292890.db2.gz CQQUBSLJCRPTDJ-UHFFFAOYSA-N 1 2 236.666 1.608 20 0 BDADLO CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656541225 411293515 /nfs/dbraw/zinc/29/35/15/411293515.db2.gz XPHSCDQBODDWMB-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1cccnc1 ZINC000660202411 411296707 /nfs/dbraw/zinc/29/67/07/411296707.db2.gz LGJUEDAVMIXOIU-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1cccnc1 ZINC000660202411 411296710 /nfs/dbraw/zinc/29/67/10/411296710.db2.gz LGJUEDAVMIXOIU-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661736568 411297833 /nfs/dbraw/zinc/29/78/33/411297833.db2.gz OKMRGOPRZWCBEW-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661736568 411297834 /nfs/dbraw/zinc/29/78/34/411297834.db2.gz OKMRGOPRZWCBEW-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO COc1cc(C[N@@H+]2CCOC(C)(C)C2)on1 ZINC000659813708 411300521 /nfs/dbraw/zinc/30/05/21/411300521.db2.gz WATRZEFNZCXLNV-UHFFFAOYSA-N 1 2 226.276 1.294 20 0 BDADLO COc1cc(C[N@H+]2CCOC(C)(C)C2)on1 ZINC000659813708 411300525 /nfs/dbraw/zinc/30/05/25/411300525.db2.gz WATRZEFNZCXLNV-UHFFFAOYSA-N 1 2 226.276 1.294 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccc(C)cn1 ZINC000656562004 411302532 /nfs/dbraw/zinc/30/25/32/411302532.db2.gz QUCRBGOHDHLQIM-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000656562004 411302533 /nfs/dbraw/zinc/30/25/33/411302533.db2.gz QUCRBGOHDHLQIM-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccco2)no1 ZINC000656563304 411302597 /nfs/dbraw/zinc/30/25/97/411302597.db2.gz PSXJJCXSANWJLT-QMMMGPOBSA-N 1 2 237.259 1.754 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cc(C3CC3)no2)cn1 ZINC000659817076 411303982 /nfs/dbraw/zinc/30/39/82/411303982.db2.gz GWSWAENCBGAXTE-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cc(C3CC3)no2)cn1 ZINC000659817076 411303987 /nfs/dbraw/zinc/30/39/87/411303987.db2.gz GWSWAENCBGAXTE-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)o2)C1=O ZINC000659826669 411308530 /nfs/dbraw/zinc/30/85/30/411308530.db2.gz KADMXXTXZSZOBB-GFCCVEGCSA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)o2)C1=O ZINC000659826669 411308532 /nfs/dbraw/zinc/30/85/32/411308532.db2.gz KADMXXTXZSZOBB-GFCCVEGCSA-N 1 2 236.315 1.641 20 0 BDADLO CCCc1ccc(C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000656622107 411311353 /nfs/dbraw/zinc/31/13/53/411311353.db2.gz VINIRHUDDBTXCB-UHFFFAOYSA-N 1 2 246.354 1.959 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(O)cc2)C1 ZINC000656622553 411311659 /nfs/dbraw/zinc/31/16/59/411311659.db2.gz ZVSGFJDYCAHLDO-UHFFFAOYSA-N 1 2 207.273 1.613 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@@H+]1C ZINC000124202573 411317730 /nfs/dbraw/zinc/31/77/30/411317730.db2.gz JFGUZCHKIZTOEZ-KOLCDFICSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@H+]1C ZINC000124202573 411317734 /nfs/dbraw/zinc/31/77/34/411317734.db2.gz JFGUZCHKIZTOEZ-KOLCDFICSA-N 1 2 249.314 1.674 20 0 BDADLO CCOC1CN(Cc2c[nH+]c3ccccn23)C1 ZINC000656657765 411317776 /nfs/dbraw/zinc/31/77/76/411317776.db2.gz ZQKLXILOMFPQRL-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661965907 411332543 /nfs/dbraw/zinc/33/25/43/411332543.db2.gz BYEHFWOTCFJYDG-NXEZZACHSA-N 1 2 237.303 1.100 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661965907 411332546 /nfs/dbraw/zinc/33/25/46/411332546.db2.gz BYEHFWOTCFJYDG-NXEZZACHSA-N 1 2 237.303 1.100 20 0 BDADLO CC1(C)CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000336731403 167927775 /nfs/dbraw/zinc/92/77/75/167927775.db2.gz YSSGNGLGGMZPFG-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C[C@](C)(O)C(F)(F)F ZINC000660142760 411258525 /nfs/dbraw/zinc/25/85/25/411258525.db2.gz JGMWNJZAHKMLQU-QMMMGPOBSA-N 1 2 237.225 1.155 20 0 BDADLO C[C@H](CCO)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000652955411 411353475 /nfs/dbraw/zinc/35/34/75/411353475.db2.gz CPNCVDPZRHIDNK-GHMZBOCLSA-N 1 2 239.319 1.064 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1cccc(N)c1 ZINC000656787804 411367739 /nfs/dbraw/zinc/36/77/39/411367739.db2.gz WBWTUYUDEMRVMI-UHFFFAOYSA-N 1 2 216.288 1.590 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)CC1 ZINC000371853315 411334304 /nfs/dbraw/zinc/33/43/04/411334304.db2.gz NDXAKCZYOHNEBQ-LLVKDONJSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1nnc([C@H](C)N2CCn3c[nH+]cc3C2)s1 ZINC000660582748 411336495 /nfs/dbraw/zinc/33/64/95/411336495.db2.gz ZFUFLOZPJSMGFW-QMMMGPOBSA-N 1 2 249.343 1.620 20 0 BDADLO CCOC1(C)C[NH+](Cc2cn(C)nc2CC)C1 ZINC000656736136 411341209 /nfs/dbraw/zinc/34/12/09/411341209.db2.gz WCBFXKJMCMJLRJ-UHFFFAOYSA-N 1 2 237.347 1.593 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccn(C)n1 ZINC000658336163 411344756 /nfs/dbraw/zinc/34/47/56/411344756.db2.gz OOHKECPSAWORMJ-MNOVXSKESA-N 1 2 247.346 1.956 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000125846855 168059508 /nfs/dbraw/zinc/05/95/08/168059508.db2.gz ARGSMODNRDCXAS-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653488457 411378413 /nfs/dbraw/zinc/37/84/13/411378413.db2.gz WRMXMWUZRFEMMI-JTQLQIEISA-N 1 2 237.351 1.660 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653488457 411378415 /nfs/dbraw/zinc/37/84/15/411378415.db2.gz WRMXMWUZRFEMMI-JTQLQIEISA-N 1 2 237.351 1.660 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C)C1 ZINC000654368054 411378466 /nfs/dbraw/zinc/37/84/66/411378466.db2.gz YGLFWWAXKAGCFY-MNOVXSKESA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C)C1 ZINC000654368054 411378469 /nfs/dbraw/zinc/37/84/69/411378469.db2.gz YGLFWWAXKAGCFY-MNOVXSKESA-N 1 2 235.331 1.847 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230588 411381779 /nfs/dbraw/zinc/38/17/79/411381779.db2.gz BVXKXKJZRDJNQP-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230588 411381784 /nfs/dbraw/zinc/38/17/84/411381784.db2.gz BVXKXKJZRDJNQP-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO Nc1ccc(NC(=O)C2CC3(CC3)C2)c[nH+]1 ZINC000659295690 411389905 /nfs/dbraw/zinc/38/99/05/411389905.db2.gz YIDDHMJPGZUKOD-UHFFFAOYSA-N 1 2 217.272 1.793 20 0 BDADLO CCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360010421 168233508 /nfs/dbraw/zinc/23/35/08/168233508.db2.gz NKSDDFQWEZZEHY-UHFFFAOYSA-N 1 2 229.283 1.899 20 0 BDADLO CCC(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290906751 168263497 /nfs/dbraw/zinc/26/34/97/168263497.db2.gz IHMXDCDEFQKFDR-UHFFFAOYSA-N 1 2 221.304 1.662 20 0 BDADLO CCC(C)(C)C(=O)NCCCn1cc[nH+]c1 ZINC000005501192 168264880 /nfs/dbraw/zinc/26/48/80/168264880.db2.gz IPHFMFKXVDRMKQ-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CCC(C)(C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000089099715 168292968 /nfs/dbraw/zinc/29/29/68/168292968.db2.gz XTHKHGZDNVWPLL-SNVBAGLBSA-N 1 2 238.335 1.759 20 0 BDADLO CCC[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000654862337 411457444 /nfs/dbraw/zinc/45/74/44/411457444.db2.gz JTNHLTBDBVDPAO-SNVBAGLBSA-N 1 2 238.335 1.450 20 0 BDADLO COC(C)(C)CN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000654891012 411460008 /nfs/dbraw/zinc/46/00/08/411460008.db2.gz PZQWHMFVHNLMOB-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1cscn1 ZINC000491302453 411392097 /nfs/dbraw/zinc/39/20/97/411392097.db2.gz ASYKQXPWRCKCOC-NSCUHMNNSA-N 1 2 245.307 1.920 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@@H+]1C ZINC000125702136 411396392 /nfs/dbraw/zinc/39/63/92/411396392.db2.gz SRUNNMLXGIPWBM-NXEZZACHSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@H+]1C ZINC000125702136 411396394 /nfs/dbraw/zinc/39/63/94/411396394.db2.gz SRUNNMLXGIPWBM-NXEZZACHSA-N 1 2 249.314 1.674 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC=CCC1 ZINC000653033795 411400009 /nfs/dbraw/zinc/40/00/09/411400009.db2.gz DJTZJJWXTJRNIN-UHFFFAOYSA-N 1 2 234.303 1.375 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@H](C3CC3)C2)c1 ZINC000660322643 411412183 /nfs/dbraw/zinc/41/21/83/411412183.db2.gz MLQHDKAOXREHMJ-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](n3cncn3)C2)co1 ZINC000660325371 411413221 /nfs/dbraw/zinc/41/32/21/411413221.db2.gz WBEGXUFROOCWDT-LLVKDONJSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](n3cncn3)C2)co1 ZINC000660325371 411413225 /nfs/dbraw/zinc/41/32/25/411413225.db2.gz WBEGXUFROOCWDT-LLVKDONJSA-N 1 2 233.275 1.022 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCCC(F)(F)C1 ZINC000405087801 411416679 /nfs/dbraw/zinc/41/66/79/411416679.db2.gz UIYRDRCBRWWYIX-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCCC(F)(F)C1 ZINC000405087801 411416682 /nfs/dbraw/zinc/41/66/82/411416682.db2.gz UIYRDRCBRWWYIX-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@@](C)(O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405089887 411417114 /nfs/dbraw/zinc/41/71/14/411417114.db2.gz VQLSZWBODRCRHS-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@@](C)(O)C[N@H+]1CCCC(F)(F)C1 ZINC000405089887 411417117 /nfs/dbraw/zinc/41/71/17/411417117.db2.gz VQLSZWBODRCRHS-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000653564578 411422223 /nfs/dbraw/zinc/42/22/23/411422223.db2.gz CMACPDMTDJHXSR-UWVGGRQHSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000653564578 411422228 /nfs/dbraw/zinc/42/22/28/411422228.db2.gz CMACPDMTDJHXSR-UWVGGRQHSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1C[NH+](Cc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC000653561677 411422373 /nfs/dbraw/zinc/42/23/73/411422373.db2.gz OXMXYHWZWYLCGN-NXEZZACHSA-N 1 2 237.351 1.516 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC=CCC1 ZINC000279508793 411449327 /nfs/dbraw/zinc/44/93/27/411449327.db2.gz UCCAMXGLNSGPNG-JTQLQIEISA-N 1 2 219.288 1.567 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC1(C)C ZINC000654820898 411450314 /nfs/dbraw/zinc/45/03/14/411450314.db2.gz VCZQGLQXXSKZQM-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC1(C)C ZINC000654820898 411450315 /nfs/dbraw/zinc/45/03/15/411450315.db2.gz VCZQGLQXXSKZQM-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2COC(C)(C)C2)no1 ZINC000659837704 411470651 /nfs/dbraw/zinc/47/06/51/411470651.db2.gz HUYLZPNHWRNBEZ-LLVKDONJSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2COC(C)(C)C2)no1 ZINC000659837704 411470653 /nfs/dbraw/zinc/47/06/53/411470653.db2.gz HUYLZPNHWRNBEZ-LLVKDONJSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)no1 ZINC000659840156 411472763 /nfs/dbraw/zinc/47/27/63/411472763.db2.gz BRTILQZIOFITAB-NXEZZACHSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)no1 ZINC000659840156 411472765 /nfs/dbraw/zinc/47/27/65/411472765.db2.gz BRTILQZIOFITAB-NXEZZACHSA-N 1 2 240.303 1.683 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cncnc1 ZINC000655002610 411473824 /nfs/dbraw/zinc/47/38/24/411473824.db2.gz NARQQIRWMOAMRV-QMMMGPOBSA-N 1 2 231.259 1.017 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cncnc1 ZINC000655002610 411473827 /nfs/dbraw/zinc/47/38/27/411473827.db2.gz NARQQIRWMOAMRV-QMMMGPOBSA-N 1 2 231.259 1.017 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2CCSCC2)[nH]1 ZINC000659843488 411473884 /nfs/dbraw/zinc/47/38/84/411473884.db2.gz WDHRXJOOGGEAMS-QMMMGPOBSA-N 1 2 226.349 1.477 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccnn2CC2CC2)o1 ZINC000657491723 411532955 /nfs/dbraw/zinc/53/29/55/411532955.db2.gz JGMUEVIQMBFSCA-UHFFFAOYSA-N 1 2 246.314 1.879 20 0 BDADLO CC1(C)C[C@H](N2CCn3cc[nH+]c3C2)CO1 ZINC000659867021 411482206 /nfs/dbraw/zinc/48/22/06/411482206.db2.gz RJFABNUURBQFPV-JTQLQIEISA-N 1 2 221.304 1.266 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCC(F)(F)C1 ZINC000652745798 411484560 /nfs/dbraw/zinc/48/45/60/411484560.db2.gz KWUPQDBGONVRNM-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCC(F)(F)C1 ZINC000652745798 411484563 /nfs/dbraw/zinc/48/45/63/411484563.db2.gz KWUPQDBGONVRNM-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO Cn1cnc2c1CC[N@H+](Cc1cccc(N)c1)C2 ZINC000659904013 411492823 /nfs/dbraw/zinc/49/28/23/411492823.db2.gz UNAADBWDIBYVRD-UHFFFAOYSA-N 1 2 242.326 1.561 20 0 BDADLO Cn1cnc2c1CC[N@@H+](Cc1cccc(N)c1)C2 ZINC000659904013 411492824 /nfs/dbraw/zinc/49/28/24/411492824.db2.gz UNAADBWDIBYVRD-UHFFFAOYSA-N 1 2 242.326 1.561 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cccc(N)c1)C2 ZINC000659904013 411492826 /nfs/dbraw/zinc/49/28/26/411492826.db2.gz UNAADBWDIBYVRD-UHFFFAOYSA-N 1 2 242.326 1.561 20 0 BDADLO Cc1c[nH]c(CNc2ccc(N(C)C)[nH+]c2)n1 ZINC000657399731 411495053 /nfs/dbraw/zinc/49/50/53/411495053.db2.gz DAMDPODOHANYJP-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(CF)CF ZINC000655120122 411498882 /nfs/dbraw/zinc/49/88/82/411498882.db2.gz RMZWZJSAOUYXID-ZETCQYMHSA-N 1 2 231.246 1.012 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(CF)CF ZINC000655120122 411498886 /nfs/dbraw/zinc/49/88/86/411498886.db2.gz RMZWZJSAOUYXID-ZETCQYMHSA-N 1 2 231.246 1.012 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@]1(C)CC1(F)F ZINC000655126395 411499927 /nfs/dbraw/zinc/49/99/27/411499927.db2.gz NSKQSZUMHBDKMB-SNVBAGLBSA-N 1 2 243.257 1.565 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000655127403 411501275 /nfs/dbraw/zinc/50/12/75/411501275.db2.gz QLJPOQJNSADZPZ-QNSHHTMESA-N 1 2 243.257 1.107 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000655127403 411501277 /nfs/dbraw/zinc/50/12/77/411501277.db2.gz QLJPOQJNSADZPZ-QNSHHTMESA-N 1 2 243.257 1.107 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C(C)(C)CO)c2[nH+]ccn21 ZINC000655134857 411501807 /nfs/dbraw/zinc/50/18/07/411501807.db2.gz QQBRSRJDRDTFRP-BDAKNGLRSA-N 1 2 237.303 1.024 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CC[C@H](C)O)[nH]1 ZINC000659957130 411512741 /nfs/dbraw/zinc/51/27/41/411512741.db2.gz PMJRUOXDCATSEV-DTWKUNHWSA-N 1 2 226.324 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CC[C@H](C)O)[nH]1 ZINC000659957130 411512743 /nfs/dbraw/zinc/51/27/43/411512743.db2.gz PMJRUOXDCATSEV-DTWKUNHWSA-N 1 2 226.324 1.131 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(C)n(C)c2=O)[nH]1 ZINC000657451676 411514020 /nfs/dbraw/zinc/51/40/20/411514020.db2.gz ZNJXIUZRLBLCFM-UHFFFAOYSA-N 1 2 246.314 1.015 20 0 BDADLO Cc1c[nH+]c(CNCc2ccc(C)n(C)c2=O)[nH]1 ZINC000657451676 411514023 /nfs/dbraw/zinc/51/40/23/411514023.db2.gz ZNJXIUZRLBLCFM-UHFFFAOYSA-N 1 2 246.314 1.015 20 0 BDADLO CCc1cnc(C[NH2+]C2CN(C(C)=O)C2)s1 ZINC000655802269 411518909 /nfs/dbraw/zinc/51/89/09/411518909.db2.gz GTFIBGFQNQXMHR-UHFFFAOYSA-N 1 2 239.344 1.026 20 0 BDADLO Cc1c[nH]c(CNc2cc3n(n2)CCCC3)[nH+]1 ZINC000657465997 411520040 /nfs/dbraw/zinc/52/00/40/411520040.db2.gz NMRCZZOCJDVBFZ-UHFFFAOYSA-N 1 2 231.303 1.863 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000657457108 411520478 /nfs/dbraw/zinc/52/04/78/411520478.db2.gz FHAJCOLRPFPNGJ-VHSXEESVSA-N 1 2 237.303 1.604 20 0 BDADLO Cc1c[nH]c(CN[C@@H]2CCCC2(F)F)[nH+]1 ZINC000657467346 411521284 /nfs/dbraw/zinc/52/12/84/411521284.db2.gz ZYPDEVPMALCXIO-MRVPVSSYSA-N 1 2 215.247 1.996 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000659994265 411522459 /nfs/dbraw/zinc/52/24/59/411522459.db2.gz MNYXBORZIXOBRJ-ZDUSSCGKSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000659994265 411522462 /nfs/dbraw/zinc/52/24/62/411522462.db2.gz MNYXBORZIXOBRJ-ZDUSSCGKSA-N 1 2 243.314 1.579 20 0 BDADLO C[C@H](Cc1ccccn1)[NH2+]Cc1ccn[nH]1 ZINC000655844195 411535019 /nfs/dbraw/zinc/53/50/19/411535019.db2.gz POAHHRUYHQTACR-SNVBAGLBSA-N 1 2 216.288 1.526 20 0 BDADLO CCc1nnc(CNCc2[nH+]ccn2C(C)C)[nH]1 ZINC000657475942 411524742 /nfs/dbraw/zinc/52/47/42/411524742.db2.gz INNGCHQOIGPEMR-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)sn1 ZINC000660009792 411528144 /nfs/dbraw/zinc/52/81/44/411528144.db2.gz ARSJWLBBUAUYKV-DTWKUNHWSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)sn1 ZINC000660009792 411528146 /nfs/dbraw/zinc/52/81/46/411528146.db2.gz ARSJWLBBUAUYKV-DTWKUNHWSA-N 1 2 242.344 1.761 20 0 BDADLO CN(C)c1ccc(Cn2cc[nH+]c2)cn1 ZINC000660023548 411529583 /nfs/dbraw/zinc/52/95/83/411529583.db2.gz CBAMOUDGVGTYKO-UHFFFAOYSA-N 1 2 202.261 1.392 20 0 BDADLO Cn1cccc1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655833272 411529797 /nfs/dbraw/zinc/52/97/97/411529797.db2.gz BMTQAXRAHLTUGU-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]Cc2ccccc2)n1 ZINC000655834969 411531361 /nfs/dbraw/zinc/53/13/61/411531361.db2.gz IFZUDRQDQKTLRN-UHFFFAOYSA-N 1 2 245.330 1.718 20 0 BDADLO CC[NH+]1CCN(C[C@@H](OC)C2CCC2)CC1 ZINC000659826995 411464755 /nfs/dbraw/zinc/46/47/55/411464755.db2.gz MXXAXNPPJPRGSR-CYBMUJFWSA-N 1 2 226.364 1.439 20 0 BDADLO CC[N@@H+]1CC[C@@H](NCC[NH+]2CCC2)[C@H](C)C1 ZINC000336780567 170013141 /nfs/dbraw/zinc/01/31/41/170013141.db2.gz RRDFKSKEYDERBU-CHWSQXEVSA-N 1 2 225.380 1.012 20 0 BDADLO CC[N@H+]1CC[C@@H](NCC[NH+]2CCC2)[C@H](C)C1 ZINC000336780567 170013142 /nfs/dbraw/zinc/01/31/42/170013142.db2.gz RRDFKSKEYDERBU-CHWSQXEVSA-N 1 2 225.380 1.012 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000660118299 411539673 /nfs/dbraw/zinc/53/96/73/411539673.db2.gz BVDHRGSYQRDUFT-JTQLQIEISA-N 1 2 243.257 1.192 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@H+]1CCc2c[nH]nc2C1 ZINC000660118299 411539675 /nfs/dbraw/zinc/53/96/75/411539675.db2.gz BVDHRGSYQRDUFT-JTQLQIEISA-N 1 2 243.257 1.192 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)[nH]n1 ZINC000655862550 411540215 /nfs/dbraw/zinc/54/02/15/411540215.db2.gz AXPJSDIAGUSAOQ-GFCCVEGCSA-N 1 2 235.331 1.991 20 0 BDADLO CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000368396650 170059460 /nfs/dbraw/zinc/05/94/60/170059460.db2.gz FTAMPMBROVOYIY-SECBINFHSA-N 1 2 239.344 1.416 20 0 BDADLO CCNC(=O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000368396650 170059461 /nfs/dbraw/zinc/05/94/61/170059461.db2.gz FTAMPMBROVOYIY-SECBINFHSA-N 1 2 239.344 1.416 20 0 BDADLO CCNC(=O)COc1ccc(C)[nH+]c1CC ZINC000190772707 170068015 /nfs/dbraw/zinc/06/80/15/170068015.db2.gz FRFUAVQJQOXAPT-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO CN(Cc1nnc(C2CC2)s1)Cc1[nH]cc[nH+]1 ZINC000660141452 411543884 /nfs/dbraw/zinc/54/38/84/411543884.db2.gz FRFMXSYZBFAYFF-UHFFFAOYSA-N 1 2 249.343 1.771 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144668 411544497 /nfs/dbraw/zinc/54/44/97/411544497.db2.gz XIMIXRSQGSJBDU-UWVGGRQHSA-N 1 2 238.335 1.145 20 0 BDADLO CCNC(=O)[C@H](Nc1cccc[nH+]1)C(C)C ZINC000336674792 170099206 /nfs/dbraw/zinc/09/92/06/170099206.db2.gz KOILRRDBKWZXCG-LLVKDONJSA-N 1 2 221.304 1.654 20 0 BDADLO C[C@@H](NC(=O)NCc1ccco1)c1[nH+]ccn1C ZINC000660203110 411553055 /nfs/dbraw/zinc/55/30/55/411553055.db2.gz BDBSWCNTMJDSMI-SECBINFHSA-N 1 2 248.286 1.574 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)on1 ZINC000660221676 411556385 /nfs/dbraw/zinc/55/63/85/411556385.db2.gz QJSSZASREYLQNP-SCZZXKLOSA-N 1 2 228.267 1.863 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)on1 ZINC000660221676 411556386 /nfs/dbraw/zinc/55/63/86/411556386.db2.gz QJSSZASREYLQNP-SCZZXKLOSA-N 1 2 228.267 1.863 20 0 BDADLO Cc1ccncc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657569375 411553687 /nfs/dbraw/zinc/55/36/87/411553687.db2.gz MJASMUDBBXGQCA-JQWIXIFHSA-N 1 2 243.314 1.777 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cncc(F)c1 ZINC000660143485 411544683 /nfs/dbraw/zinc/54/46/83/411544683.db2.gz WCRLSOMXVQSPKK-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO Cc1cncc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000660143648 411544827 /nfs/dbraw/zinc/54/48/27/411544827.db2.gz YNYDHTBAUFJRTC-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc(N)c1 ZINC000660142454 411544891 /nfs/dbraw/zinc/54/48/91/411544891.db2.gz YYLJYEAOCLGNRK-UHFFFAOYSA-N 1 2 216.288 1.624 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc(N)c1 ZINC000660142454 411544892 /nfs/dbraw/zinc/54/48/92/411544892.db2.gz YYLJYEAOCLGNRK-UHFFFAOYSA-N 1 2 216.288 1.624 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ncnn1C(C)(C)C ZINC000660142496 411544922 /nfs/dbraw/zinc/54/49/22/411544922.db2.gz FYPWNIWMKVFOPU-UHFFFAOYSA-N 1 2 248.334 1.388 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cccc(OC)c1 ZINC000042223677 170214393 /nfs/dbraw/zinc/21/43/93/170214393.db2.gz SEYCTZWFDBJVGL-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000042223677 170214394 /nfs/dbraw/zinc/21/43/94/170214394.db2.gz SEYCTZWFDBJVGL-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CCOC(=O)CN(Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000179354193 170217657 /nfs/dbraw/zinc/21/76/57/170217657.db2.gz UYTUZRKPOHPAIX-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CCOC(=O)CN(Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000179354193 170217658 /nfs/dbraw/zinc/21/76/58/170217658.db2.gz UYTUZRKPOHPAIX-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289360315 170219634 /nfs/dbraw/zinc/21/96/34/170219634.db2.gz ODZQXYLRUVRETE-CYBMUJFWSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289360315 170219635 /nfs/dbraw/zinc/21/96/35/170219635.db2.gz ODZQXYLRUVRETE-CYBMUJFWSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000342119828 170219988 /nfs/dbraw/zinc/21/99/88/170219988.db2.gz DAVPNEAPTCQCQZ-QMMMGPOBSA-N 1 2 239.237 1.824 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374804747 170221690 /nfs/dbraw/zinc/22/16/90/170221690.db2.gz DEUHVOIOHXJGSA-ZDUSSCGKSA-N 1 2 249.310 1.489 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374804747 170221691 /nfs/dbraw/zinc/22/16/91/170221691.db2.gz DEUHVOIOHXJGSA-ZDUSSCGKSA-N 1 2 249.310 1.489 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000368486610 170226689 /nfs/dbraw/zinc/22/66/89/170226689.db2.gz CCBOGDZFLBASIT-GFCCVEGCSA-N 1 2 249.310 1.533 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000342180052 170227461 /nfs/dbraw/zinc/22/74/61/170227461.db2.gz YKVORJXVIPSPJF-JTQLQIEISA-N 1 2 235.283 1.012 20 0 BDADLO CCC(CC)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660246203 411558792 /nfs/dbraw/zinc/55/87/92/411558792.db2.gz YRHYHIMWRIWJSH-VIFPVBQESA-N 1 2 238.335 1.969 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000354843250 170265824 /nfs/dbraw/zinc/26/58/24/170265824.db2.gz VMYUHEMZWBMABO-VWYCJHECSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000354843250 170265825 /nfs/dbraw/zinc/26/58/25/170265825.db2.gz VMYUHEMZWBMABO-VWYCJHECSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1noc(C)n1 ZINC000274166166 170269937 /nfs/dbraw/zinc/26/99/37/170269937.db2.gz AKDHCXPCOYLQIE-HTQZYQBOSA-N 1 2 241.291 1.055 20 0 BDADLO COCc1nnc(C[NH2+]CC(C)(C)C)[nH]1 ZINC000657608422 411561737 /nfs/dbraw/zinc/56/17/37/411561737.db2.gz YLNMRYGRZIPQSX-UHFFFAOYSA-N 1 2 212.297 1.087 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C)c2)c(C)o1 ZINC000660266525 411561752 /nfs/dbraw/zinc/56/17/52/411561752.db2.gz COYYIPVLXPZYTF-QMMMGPOBSA-N 1 2 234.303 1.876 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000274338178 170281577 /nfs/dbraw/zinc/28/15/77/170281577.db2.gz SYXBAJJZGPPYQI-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cnccc1C ZINC000274338178 170281578 /nfs/dbraw/zinc/28/15/78/170281578.db2.gz SYXBAJJZGPPYQI-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@H]2C)n1 ZINC000314253370 170309400 /nfs/dbraw/zinc/30/94/00/170309400.db2.gz HGDBQYWVTJQKAB-MRVPVSSYSA-N 1 2 239.275 1.231 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2CCC[C@H]2C)n1 ZINC000314253370 170309403 /nfs/dbraw/zinc/30/94/03/170309403.db2.gz HGDBQYWVTJQKAB-MRVPVSSYSA-N 1 2 239.275 1.231 20 0 BDADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1csnn1 ZINC000660365975 411572782 /nfs/dbraw/zinc/57/27/82/411572782.db2.gz AFZLLAIYPRMJDH-YUMQZZPRSA-N 1 2 227.333 1.272 20 0 BDADLO CCOC1C[NH+](Cc2ccc(OC)c(O)c2)C1 ZINC000297471663 170336491 /nfs/dbraw/zinc/33/64/91/170336491.db2.gz RGFJJQOFMPIPHF-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2c(C3CC3)cnn2C)n1 ZINC000657662477 411575857 /nfs/dbraw/zinc/57/58/57/411575857.db2.gz CRJCZCPZACVHJF-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO CCOCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371438154 170358239 /nfs/dbraw/zinc/35/82/39/170358239.db2.gz HAHVWBQEQLKKJL-JTQLQIEISA-N 1 2 237.303 1.500 20 0 BDADLO CCOCCN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000362473896 170391356 /nfs/dbraw/zinc/39/13/56/170391356.db2.gz PHPYYVMXAIGSFI-UHFFFAOYSA-N 1 2 246.314 1.740 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192720376 170391431 /nfs/dbraw/zinc/39/14/31/170391431.db2.gz SOPSZYLSSYETFD-JTQLQIEISA-N 1 2 239.319 1.520 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192720376 170391433 /nfs/dbraw/zinc/39/14/33/170391433.db2.gz SOPSZYLSSYETFD-JTQLQIEISA-N 1 2 239.319 1.520 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncc(Cl)n1C ZINC000171634460 170395667 /nfs/dbraw/zinc/39/56/67/170395667.db2.gz PKLFRXHROJWRQX-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncc(Cl)n1C ZINC000171634460 170395668 /nfs/dbraw/zinc/39/56/68/170395668.db2.gz PKLFRXHROJWRQX-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO OCC1([N@H+](Cc2csnn2)C2CC2)CCC1 ZINC000660770992 411624200 /nfs/dbraw/zinc/62/42/00/411624200.db2.gz MGNWBMFBQZZQBL-UHFFFAOYSA-N 1 2 239.344 1.418 20 0 BDADLO OCC1([N@@H+](Cc2csnn2)C2CC2)CCC1 ZINC000660770992 411624202 /nfs/dbraw/zinc/62/42/02/411624202.db2.gz MGNWBMFBQZZQBL-UHFFFAOYSA-N 1 2 239.344 1.418 20 0 BDADLO C[C@H](NC(=O)NCC1(C)CC1)c1[nH+]ccn1C ZINC000660798630 411634926 /nfs/dbraw/zinc/63/49/26/411634926.db2.gz YXHCZGVZKPVUBU-VIFPVBQESA-N 1 2 236.319 1.580 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1nc2ccccn2n1 ZINC000663352293 411635070 /nfs/dbraw/zinc/63/50/70/411635070.db2.gz XYIIQQKIFXKFJZ-UHFFFAOYSA-N 1 2 242.286 1.099 20 0 BDADLO CCn1nccc1C[NH2+]Cc1nccn1C(C)C ZINC000663349712 411635711 /nfs/dbraw/zinc/63/57/11/411635711.db2.gz QFLWWENHAAGDDN-UHFFFAOYSA-N 1 2 247.346 1.970 20 0 BDADLO CC[N@@H+]1CCN([C@H](C)c2n[nH]c(C)n2)C[C@H]1C ZINC000663383434 411643699 /nfs/dbraw/zinc/64/36/99/411643699.db2.gz GCHCWFZXENRSHJ-NXEZZACHSA-N 1 2 237.351 1.200 20 0 BDADLO CC[N@H+]1CCN([C@H](C)c2n[nH]c(C)n2)C[C@H]1C ZINC000663383434 411643704 /nfs/dbraw/zinc/64/37/04/411643704.db2.gz GCHCWFZXENRSHJ-NXEZZACHSA-N 1 2 237.351 1.200 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(C)CCC1 ZINC000660812929 411644597 /nfs/dbraw/zinc/64/45/97/411644597.db2.gz XBDNVBWTMBBITD-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(C)CCC1 ZINC000660812929 411644601 /nfs/dbraw/zinc/64/46/01/411644601.db2.gz XBDNVBWTMBBITD-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1nsc2ccccc21 ZINC000660392530 411578147 /nfs/dbraw/zinc/57/81/47/411578147.db2.gz GBZSIPKJPYMOCD-UHFFFAOYSA-N 1 2 249.339 1.604 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1nsc2ccccc21 ZINC000660392530 411578148 /nfs/dbraw/zinc/57/81/48/411578148.db2.gz GBZSIPKJPYMOCD-UHFFFAOYSA-N 1 2 249.339 1.604 20 0 BDADLO O=C1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CN1C1CC1 ZINC000660443776 411585524 /nfs/dbraw/zinc/58/55/24/411585524.db2.gz JEIBCLITJBJWKW-UTUOFQBUSA-N 1 2 234.343 1.687 20 0 BDADLO O=C1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CN1C1CC1 ZINC000660443776 411585525 /nfs/dbraw/zinc/58/55/25/411585525.db2.gz JEIBCLITJBJWKW-UTUOFQBUSA-N 1 2 234.343 1.687 20 0 BDADLO CO[C@]1(C)CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660450105 411586732 /nfs/dbraw/zinc/58/67/32/411586732.db2.gz BYCVKRIWXHQICA-GFCCVEGCSA-N 1 2 238.335 1.238 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660450105 411586734 /nfs/dbraw/zinc/58/67/34/411586734.db2.gz BYCVKRIWXHQICA-GFCCVEGCSA-N 1 2 238.335 1.238 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCOC2)co1 ZINC000660532427 411595687 /nfs/dbraw/zinc/59/56/87/411595687.db2.gz HPVRDBAWABRRJC-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCOC2)co1 ZINC000660532427 411595689 /nfs/dbraw/zinc/59/56/89/411595689.db2.gz HPVRDBAWABRRJC-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO c1nn[nH]c1CC[NH+]1CCC2(CCC2)CC1 ZINC000660544251 411598238 /nfs/dbraw/zinc/59/82/38/411598238.db2.gz SCFFFIZRXJDIAJ-UHFFFAOYSA-N 1 2 220.320 1.613 20 0 BDADLO CCCn1nccc1C[NH2+][C@H](C)c1nccn1C ZINC000657793594 411598717 /nfs/dbraw/zinc/59/87/17/411598717.db2.gz MFIMAWUPAYMINB-LLVKDONJSA-N 1 2 247.346 1.877 20 0 BDADLO Cn1cnc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000660561837 411600654 /nfs/dbraw/zinc/60/06/54/411600654.db2.gz BPXFRGIRZHWASD-STQMWFEESA-N 1 2 249.358 1.810 20 0 BDADLO Cn1cnc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000660561837 411600655 /nfs/dbraw/zinc/60/06/55/411600655.db2.gz BPXFRGIRZHWASD-STQMWFEESA-N 1 2 249.358 1.810 20 0 BDADLO Cc1nnc(CN2CCn3c[nH+]cc3C2)s1 ZINC000660581463 411603367 /nfs/dbraw/zinc/60/33/67/411603367.db2.gz DOQIOSCNDLPOEZ-UHFFFAOYSA-N 1 2 235.316 1.059 20 0 BDADLO CCCCOCCN1CCn2c[nH+]cc2C1 ZINC000660577170 411603405 /nfs/dbraw/zinc/60/34/05/411603405.db2.gz DPXLEJGURWCLIW-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CCCCOCC[N@@H+]1CCn2cncc2C1 ZINC000660577170 411603407 /nfs/dbraw/zinc/60/34/07/411603407.db2.gz DPXLEJGURWCLIW-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CCCCOCC[N@H+]1CCn2cncc2C1 ZINC000660577170 411603408 /nfs/dbraw/zinc/60/34/08/411603408.db2.gz DPXLEJGURWCLIW-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO C[C@H](c1csnn1)N1CCn2c[nH+]cc2C1 ZINC000660583582 411603691 /nfs/dbraw/zinc/60/36/91/411603691.db2.gz KWMQOQPZPLXLGI-MRVPVSSYSA-N 1 2 235.316 1.311 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000657814879 411603978 /nfs/dbraw/zinc/60/39/78/411603978.db2.gz GGVIONWRPXVVKK-RISCZKNCSA-N 1 2 245.326 1.930 20 0 BDADLO COc1cncc(C[N@@H+]2CCn3cncc3C2)c1 ZINC000660583978 411604283 /nfs/dbraw/zinc/60/42/83/411604283.db2.gz PEMHZPAOHOBVEK-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cncc(C[N@H+]2CCn3cncc3C2)c1 ZINC000660583978 411604285 /nfs/dbraw/zinc/60/42/85/411604285.db2.gz PEMHZPAOHOBVEK-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CCC1 ZINC000660607490 411606727 /nfs/dbraw/zinc/60/67/27/411606727.db2.gz DOEMHJZMXUVCKS-UHFFFAOYSA-N 1 2 208.265 1.104 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CCC1 ZINC000660607490 411606729 /nfs/dbraw/zinc/60/67/29/411606729.db2.gz DOEMHJZMXUVCKS-UHFFFAOYSA-N 1 2 208.265 1.104 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCc1ccoc1 ZINC000660704634 411618120 /nfs/dbraw/zinc/61/81/20/411618120.db2.gz GSIQUHXQWOBOCB-UHFFFAOYSA-N 1 2 248.286 1.055 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2csnn2)C[C@H]1C ZINC000660719523 411618510 /nfs/dbraw/zinc/61/85/10/411618510.db2.gz CQFRFWWVLSLOOT-MWLCHTKSSA-N 1 2 241.360 1.785 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2csnn2)C[C@H]1C ZINC000660719523 411618511 /nfs/dbraw/zinc/61/85/11/411618511.db2.gz CQFRFWWVLSLOOT-MWLCHTKSSA-N 1 2 241.360 1.785 20 0 BDADLO CCCC(=O)c1ncccc1N1CC[NH+](C)CC1 ZINC000663312304 411621903 /nfs/dbraw/zinc/62/19/03/411621903.db2.gz VGKLVYJCIFNXQD-UHFFFAOYSA-N 1 2 247.342 1.816 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC1CC1 ZINC000660764360 411623014 /nfs/dbraw/zinc/62/30/14/411623014.db2.gz NQPLFINSYCAFEE-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC1CC1 ZINC000660764360 411623016 /nfs/dbraw/zinc/62/30/16/411623016.db2.gz NQPLFINSYCAFEE-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CC[C@H](C)[N@H+](CC)Cc1noc(COC)n1 ZINC000661104422 411709310 /nfs/dbraw/zinc/70/93/10/411709310.db2.gz MPWJOJYJFGHHPG-VIFPVBQESA-N 1 2 227.308 1.836 20 0 BDADLO CC[C@H](C)[N@@H+](CC)Cc1noc(COC)n1 ZINC000661104422 411709312 /nfs/dbraw/zinc/70/93/12/411709312.db2.gz MPWJOJYJFGHHPG-VIFPVBQESA-N 1 2 227.308 1.836 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660843403 411653283 /nfs/dbraw/zinc/65/32/83/411653283.db2.gz WXPZGVUIAKAUKW-QMMMGPOBSA-N 1 2 249.274 1.067 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660843403 411653286 /nfs/dbraw/zinc/65/32/86/411653286.db2.gz WXPZGVUIAKAUKW-QMMMGPOBSA-N 1 2 249.274 1.067 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842318 411654623 /nfs/dbraw/zinc/65/46/23/411654623.db2.gz NFINDRZRJZZRGU-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842318 411654627 /nfs/dbraw/zinc/65/46/27/411654627.db2.gz NFINDRZRJZZRGU-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847459 411656801 /nfs/dbraw/zinc/65/68/01/411656801.db2.gz QSBVPCJWBCAVQD-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847459 411656803 /nfs/dbraw/zinc/65/68/03/411656803.db2.gz QSBVPCJWBCAVQD-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1cc(N[C@@H]2COCC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000631529158 411656855 /nfs/dbraw/zinc/65/68/55/411656855.db2.gz IXBJPNFZEUSYRG-GHMZBOCLSA-N 1 2 249.314 1.224 20 0 BDADLO Cc1cc(N[C@@H]2CCOC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000624689003 411657240 /nfs/dbraw/zinc/65/72/40/411657240.db2.gz ZKHQFESZXDPCMI-GHMZBOCLSA-N 1 2 249.314 1.224 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660847032 411658356 /nfs/dbraw/zinc/65/83/56/411658356.db2.gz MEVABILLKIQPPF-UHFFFAOYSA-N 1 2 249.270 1.416 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660847032 411658362 /nfs/dbraw/zinc/65/83/62/411658362.db2.gz MEVABILLKIQPPF-UHFFFAOYSA-N 1 2 249.270 1.416 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000663470008 411667363 /nfs/dbraw/zinc/66/73/63/411667363.db2.gz MMBPBVQJLUEKPC-LLVKDONJSA-N 1 2 247.346 1.796 20 0 BDADLO Cc1ccnc(CNc2cc(C)[nH+]cn2)n1 ZINC000621329051 411717550 /nfs/dbraw/zinc/71/75/50/411717550.db2.gz NIOKCAJDMAPDOH-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO O[C@@]1(C[N@@H+]2CCCC(F)(F)C2)CCCOC1 ZINC000660910850 411669282 /nfs/dbraw/zinc/66/92/82/411669282.db2.gz BWNMTCNOLYHLSX-SNVBAGLBSA-N 1 2 235.274 1.259 20 0 BDADLO O[C@@]1(C[N@H+]2CCCC(F)(F)C2)CCCOC1 ZINC000660910850 411669285 /nfs/dbraw/zinc/66/92/85/411669285.db2.gz BWNMTCNOLYHLSX-SNVBAGLBSA-N 1 2 235.274 1.259 20 0 BDADLO CO[C@@]1(CNc2nc(C)[nH+]cc2C)CCOC1 ZINC000516981622 411674571 /nfs/dbraw/zinc/67/45/71/411674571.db2.gz RJIUEFZYGAYXID-GFCCVEGCSA-N 1 2 237.303 1.311 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c[nH]2)nn1C ZINC000661084239 411695658 /nfs/dbraw/zinc/69/56/58/411695658.db2.gz DBOJDMGBVGFYNS-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH]c[nH+]2)nn1C ZINC000661084239 411695662 /nfs/dbraw/zinc/69/56/62/411695662.db2.gz DBOJDMGBVGFYNS-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000624666558 411696954 /nfs/dbraw/zinc/69/69/54/411696954.db2.gz HECXYBQBEKRSPX-XYPYZODXSA-N 1 2 248.330 1.481 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000624666558 411696959 /nfs/dbraw/zinc/69/69/59/411696959.db2.gz HECXYBQBEKRSPX-XYPYZODXSA-N 1 2 248.330 1.481 20 0 BDADLO Cc1cc(C(=O)CN(C)Cc2c[nH+]c[nH]2)c(C)[nH]1 ZINC000661088268 411699851 /nfs/dbraw/zinc/69/98/51/411699851.db2.gz PISSBZGHYTVPQX-UHFFFAOYSA-N 1 2 246.314 1.669 20 0 BDADLO Cc1cc(C(=O)CN(C)Cc2c[nH]c[nH+]2)c(C)[nH]1 ZINC000661088268 411699856 /nfs/dbraw/zinc/69/98/56/411699856.db2.gz PISSBZGHYTVPQX-UHFFFAOYSA-N 1 2 246.314 1.669 20 0 BDADLO Cc1cnc(CNc2nc(N(C)C)nc(C)[nH+]2)o1 ZINC000532271250 411738202 /nfs/dbraw/zinc/73/82/02/411738202.db2.gz YBGUMLYLZLQBLH-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1cnc(CNc2nc(C)[nH+]c(N(C)C)n2)o1 ZINC000532271250 411738206 /nfs/dbraw/zinc/73/82/06/411738206.db2.gz YBGUMLYLZLQBLH-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)CN1CCCC1=O ZINC000519038338 411738424 /nfs/dbraw/zinc/73/84/24/411738424.db2.gz ARDFLLGTCNAFPO-JTQLQIEISA-N 1 2 248.330 1.516 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000661347446 411753739 /nfs/dbraw/zinc/75/37/39/411753739.db2.gz FMPFLZIXQRJEMT-GARJFASQSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000661347446 411753743 /nfs/dbraw/zinc/75/37/43/411753743.db2.gz FMPFLZIXQRJEMT-GARJFASQSA-N 1 2 248.330 1.740 20 0 BDADLO CCSCCC[NH2+][C@@H](CC)C(=O)OC ZINC000300892404 170628795 /nfs/dbraw/zinc/62/87/95/170628795.db2.gz HTCNGHWMGGCENX-VIFPVBQESA-N 1 2 219.350 1.671 20 0 BDADLO CCc1cc(NCCCN2CCCC2=O)nc[nH+]1 ZINC000603370575 411769197 /nfs/dbraw/zinc/76/91/97/411769197.db2.gz SGLPTTOXMMFMCA-UHFFFAOYSA-N 1 2 248.330 1.463 20 0 BDADLO O[C@@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(F)F ZINC000661413905 411770226 /nfs/dbraw/zinc/77/02/26/411770226.db2.gz PVXWZUMTNXGHNM-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(F)F ZINC000661413905 411770228 /nfs/dbraw/zinc/77/02/28/411770228.db2.gz PVXWZUMTNXGHNM-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)no1 ZINC000661433351 411773492 /nfs/dbraw/zinc/77/34/92/411773492.db2.gz DSBGIUILQSHIJU-ONGXEEELSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)no1 ZINC000661433351 411773494 /nfs/dbraw/zinc/77/34/94/411773494.db2.gz DSBGIUILQSHIJU-ONGXEEELSA-N 1 2 239.319 1.361 20 0 BDADLO CCc1cc(N2Cc3c[nH]nc3C2)nc(C)[nH+]1 ZINC000663928810 411779009 /nfs/dbraw/zinc/77/90/09/411779009.db2.gz OAOBBPRMHKUYKD-UHFFFAOYSA-N 1 2 229.287 1.591 20 0 BDADLO Cc1nccc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)n1 ZINC000661461005 411780346 /nfs/dbraw/zinc/78/03/46/411780346.db2.gz AZVMFPQUQDNIOR-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)n1 ZINC000661461005 411780349 /nfs/dbraw/zinc/78/03/49/411780349.db2.gz AZVMFPQUQDNIOR-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cc(C)n(C)n2)[nH+]1 ZINC000635723535 411780350 /nfs/dbraw/zinc/78/03/50/411780350.db2.gz SFRUEOJFTDJALA-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO CC(C)(C)c1nc(NCCn2cnnc2)cc[nH+]1 ZINC000663949401 411788817 /nfs/dbraw/zinc/78/88/17/411788817.db2.gz DCCPSAIHMFRFSN-UHFFFAOYSA-N 1 2 246.318 1.478 20 0 BDADLO CCOc1nccnc1NCc1[nH+]ccn1C ZINC000543756929 411719476 /nfs/dbraw/zinc/71/94/76/411719476.db2.gz ARHJFXKBKINSQE-UHFFFAOYSA-N 1 2 233.275 1.221 20 0 BDADLO C[C@]1(C2CC2)C[N@H+](Cc2ccno2)CCO1 ZINC000661167947 411726250 /nfs/dbraw/zinc/72/62/50/411726250.db2.gz QLGDGKZHSKPGEZ-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO C[C@]1(C2CC2)C[N@@H+](Cc2ccno2)CCO1 ZINC000661167947 411726254 /nfs/dbraw/zinc/72/62/54/411726254.db2.gz QLGDGKZHSKPGEZ-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2=CCCC2)o1 ZINC000661528809 411796214 /nfs/dbraw/zinc/79/62/14/411796214.db2.gz MISRHQCKDNPHAX-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2=CCCC2)o1 ZINC000661528809 411796218 /nfs/dbraw/zinc/79/62/18/411796218.db2.gz MISRHQCKDNPHAX-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO CC1(CO)CN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663972658 411796859 /nfs/dbraw/zinc/79/68/59/411796859.db2.gz VFTWCBXDLJXKQP-UHFFFAOYSA-N 1 2 243.310 1.636 20 0 BDADLO CC[C@H](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661586987 411809396 /nfs/dbraw/zinc/80/93/96/411809396.db2.gz NOTZOIGLJMYEGD-JTQLQIEISA-N 1 2 238.335 1.987 20 0 BDADLO CC[C@H](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661586987 411809399 /nfs/dbraw/zinc/80/93/99/411809399.db2.gz NOTZOIGLJMYEGD-JTQLQIEISA-N 1 2 238.335 1.987 20 0 BDADLO Cn1c[nH+]cc1CCn1nc(C2CC2)ccc1=O ZINC000664029843 411820689 /nfs/dbraw/zinc/82/06/89/411820689.db2.gz OPUTULHHGWFYEZ-UHFFFAOYSA-N 1 2 244.298 1.097 20 0 BDADLO CCNC(=O)COc1ccc2c(c1)[nH+]c(C)n2C ZINC000664053298 411831380 /nfs/dbraw/zinc/83/13/80/411831380.db2.gz PCWGZHJQWGPXJR-UHFFFAOYSA-N 1 2 247.298 1.397 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](CCF)C2)[nH]1 ZINC000661690239 411839179 /nfs/dbraw/zinc/83/91/79/411839179.db2.gz KROPSQLZVMGUAR-SNVBAGLBSA-N 1 2 240.326 1.939 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](CCF)C2)[nH]1 ZINC000661690239 411839180 /nfs/dbraw/zinc/83/91/80/411839180.db2.gz KROPSQLZVMGUAR-SNVBAGLBSA-N 1 2 240.326 1.939 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000661723248 411858342 /nfs/dbraw/zinc/85/83/42/411858342.db2.gz WUSLPJCTANCOOB-GXFFZTMASA-N 1 2 234.299 1.509 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1ncc(C3CC3)o1)CC2 ZINC000661723248 411858348 /nfs/dbraw/zinc/85/83/48/411858348.db2.gz WUSLPJCTANCOOB-GXFFZTMASA-N 1 2 234.299 1.509 20 0 BDADLO Cc1[nH+]cccc1Cn1nnc2c1CCCC2 ZINC000664140263 411867935 /nfs/dbraw/zinc/86/79/35/411867935.db2.gz CBKJYOCVYBFSCO-UHFFFAOYSA-N 1 2 228.299 1.909 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csnn2)C[C@H](C)O1 ZINC000661852740 411902787 /nfs/dbraw/zinc/90/27/87/411902787.db2.gz FUFHHQFWOHLYCQ-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csnn2)C[C@H](C)O1 ZINC000661852740 411902792 /nfs/dbraw/zinc/90/27/92/411902792.db2.gz FUFHHQFWOHLYCQ-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO Cc1nc(N2CCCC[C@H]2[C@H](C)CO)cc[nH+]1 ZINC000664268345 411905600 /nfs/dbraw/zinc/90/56/00/411905600.db2.gz QTNYSMLPKQWHCP-PWSUYJOCSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nc(N2CCC[C@@H](C)[C@H]2CCO)cc[nH+]1 ZINC000664284706 411911777 /nfs/dbraw/zinc/91/17/77/411911777.db2.gz BJYJOQJBQDGETB-ZYHUDNBSSA-N 1 2 235.331 1.772 20 0 BDADLO COCCN(CCF)c1cc[nH+]c(C2CC2)n1 ZINC000664306751 411918642 /nfs/dbraw/zinc/91/86/42/411918642.db2.gz WQFBFZPEQAETHM-UHFFFAOYSA-N 1 2 239.294 1.776 20 0 BDADLO Cc1nc(N2C[C@H](C)C(O)[C@@H](C)C2)cc[nH+]1 ZINC000664349975 411928444 /nfs/dbraw/zinc/92/84/44/411928444.db2.gz OBJFLHCIYJEBRW-IUCAKERBSA-N 1 2 221.304 1.238 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000661760572 411870948 /nfs/dbraw/zinc/87/09/48/411870948.db2.gz HNSBQRYBEWSKMT-NSHDSACASA-N 1 2 246.314 1.301 20 0 BDADLO COC[C@H](CCNc1cccc[nH+]1)OC ZINC000664163740 411876422 /nfs/dbraw/zinc/87/64/22/411876422.db2.gz GJADOGOZDWZEHX-JTQLQIEISA-N 1 2 210.277 1.545 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC=CCC1 ZINC000664172779 411880035 /nfs/dbraw/zinc/88/00/35/411880035.db2.gz KQFVTYNYJNNTSQ-JTQLQIEISA-N 1 2 234.303 1.660 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC=CCC1 ZINC000664172779 411880039 /nfs/dbraw/zinc/88/00/39/411880039.db2.gz KQFVTYNYJNNTSQ-JTQLQIEISA-N 1 2 234.303 1.660 20 0 BDADLO CCc1cc(N[C@@H]2C[C@@H](C)n3ncnc32)nc[nH+]1 ZINC000664183440 411882951 /nfs/dbraw/zinc/88/29/51/411882951.db2.gz FJIOCMWBIXPVNQ-PSASIEDQSA-N 1 2 244.302 1.748 20 0 BDADLO Cc1nc(N2CC[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000664471023 411968299 /nfs/dbraw/zinc/96/82/99/411968299.db2.gz JVROMXQIWUBFGH-ZJUUUORDSA-N 1 2 221.304 1.789 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1[nH+]ccn1C ZINC000662090923 411984367 /nfs/dbraw/zinc/98/43/67/411984367.db2.gz IDVIFXTZFZCBOI-CHWFTXMASA-N 1 2 248.330 1.579 20 0 BDADLO Oc1ccc2c(c1)CN(Cc1c[nH+]c[nH]1)CCO2 ZINC000662097237 411984745 /nfs/dbraw/zinc/98/47/45/411984745.db2.gz OZLRSTIEQPTHCX-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO Oc1ccc2c(c1)CN(Cc1c[nH]c[nH+]1)CCO2 ZINC000662097237 411984751 /nfs/dbraw/zinc/98/47/51/411984751.db2.gz OZLRSTIEQPTHCX-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO O=C1CCCN1C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000664564423 411988519 /nfs/dbraw/zinc/98/85/19/411988519.db2.gz CVEOFBYGRZQJCW-GFCCVEGCSA-N 1 2 245.326 1.530 20 0 BDADLO Cc1cccc(C[N@@H+]2CCc3nccnc3C2)n1 ZINC000662119074 411991220 /nfs/dbraw/zinc/99/12/20/411991220.db2.gz JVNXWJFJXLHLNY-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cccc(C[N@H+]2CCc3nccnc3C2)n1 ZINC000662119074 411991222 /nfs/dbraw/zinc/99/12/22/411991222.db2.gz JVNXWJFJXLHLNY-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662031397 411947950 /nfs/dbraw/zinc/94/79/50/411947950.db2.gz RSBQDGJJJQYEEB-GDPRMGEGSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662031397 411947954 /nfs/dbraw/zinc/94/79/54/411947954.db2.gz RSBQDGJJJQYEEB-GDPRMGEGSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1cc(N2C[C@H]3COC[C@@]3(C)C2)nc[nH+]1 ZINC000664418606 411949277 /nfs/dbraw/zinc/94/92/77/411949277.db2.gz OPHAINFWSUDZKN-CMPLNLGQSA-N 1 2 219.288 1.258 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@@H](C)O)nc[nH+]1 ZINC000664440885 411959132 /nfs/dbraw/zinc/95/91/32/411959132.db2.gz HPLXVGBJPIVNML-NXEZZACHSA-N 1 2 207.277 1.135 20 0 BDADLO CCc1nc(N2CCC[C@@H]2[C@H](C)O)cc(C)[nH+]1 ZINC000664441171 411959412 /nfs/dbraw/zinc/95/94/12/411959412.db2.gz JOMFIPPSBGZVNF-WDEREUQCSA-N 1 2 235.331 1.697 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1csc(C)c1 ZINC000294748627 170959556 /nfs/dbraw/zinc/95/95/56/170959556.db2.gz HYZZJGNJYDLTBY-LLVKDONJSA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1csc(C)c1 ZINC000294748627 170959558 /nfs/dbraw/zinc/95/95/58/170959558.db2.gz HYZZJGNJYDLTBY-LLVKDONJSA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833421 412029918 /nfs/dbraw/zinc/02/99/18/412029918.db2.gz LIDWRUFOCGHMHB-RYUDHWBXSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833421 412029921 /nfs/dbraw/zinc/02/99/21/412029921.db2.gz LIDWRUFOCGHMHB-RYUDHWBXSA-N 1 2 247.342 1.728 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nnc(C)s1)C1CC1 ZINC000662258002 412050807 /nfs/dbraw/zinc/05/08/07/412050807.db2.gz VXWFRFYDOUBSQT-JTQLQIEISA-N 1 2 241.360 1.703 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nnc(C)s1)C1CC1 ZINC000662258002 412050808 /nfs/dbraw/zinc/05/08/08/412050808.db2.gz VXWFRFYDOUBSQT-JTQLQIEISA-N 1 2 241.360 1.703 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662256284 412051712 /nfs/dbraw/zinc/05/17/12/412051712.db2.gz KIQCTADKPQMFOM-SECBINFHSA-N 1 2 229.349 1.439 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662256284 412051717 /nfs/dbraw/zinc/05/17/17/412051717.db2.gz KIQCTADKPQMFOM-SECBINFHSA-N 1 2 229.349 1.439 20 0 BDADLO CC[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278525017 171016697 /nfs/dbraw/zinc/01/66/97/171016697.db2.gz ZKOOUDUITUEHGI-MRVPVSSYSA-N 1 2 246.318 1.182 20 0 BDADLO CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(C)no1 ZINC000292524214 171026545 /nfs/dbraw/zinc/02/65/45/171026545.db2.gz WMQBVPZXOVZWAX-NXEZZACHSA-N 1 2 237.303 1.794 20 0 BDADLO CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(C)no1 ZINC000292524214 171026547 /nfs/dbraw/zinc/02/65/47/171026547.db2.gz WMQBVPZXOVZWAX-NXEZZACHSA-N 1 2 237.303 1.794 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649785 171054249 /nfs/dbraw/zinc/05/42/49/171054249.db2.gz COTZGDDCUDJMBX-JGVFFNPUSA-N 1 2 210.281 1.273 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649785 171054252 /nfs/dbraw/zinc/05/42/52/171054252.db2.gz COTZGDDCUDJMBX-JGVFFNPUSA-N 1 2 210.281 1.273 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000284005749 171060851 /nfs/dbraw/zinc/06/08/51/171060851.db2.gz NTFQOOQFBZOILS-DJVCXFJCSA-N 1 2 249.314 1.449 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H](C)O1 ZINC000336686540 171089565 /nfs/dbraw/zinc/08/95/65/171089565.db2.gz GGUHFISJEBXOFL-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H](C)O1 ZINC000336686540 171089569 /nfs/dbraw/zinc/08/95/69/171089569.db2.gz GGUHFISJEBXOFL-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000339073775 171090462 /nfs/dbraw/zinc/09/04/62/171090462.db2.gz MQMRSMWGXWRWQX-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000339073775 171090463 /nfs/dbraw/zinc/09/04/63/171090463.db2.gz MQMRSMWGXWRWQX-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C(C)C)no2)C[C@@H]1O ZINC000341004782 171090772 /nfs/dbraw/zinc/09/07/72/171090772.db2.gz CMFAXXORUTZYKH-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C(C)C)no2)C[C@@H]1O ZINC000341004782 171090774 /nfs/dbraw/zinc/09/07/74/171090774.db2.gz CMFAXXORUTZYKH-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)cn2)CCO1 ZINC000336709135 171091754 /nfs/dbraw/zinc/09/17/54/171091754.db2.gz VWOLLWAZGLNGAC-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)CCO1 ZINC000336709135 171091755 /nfs/dbraw/zinc/09/17/55/171091755.db2.gz VWOLLWAZGLNGAC-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)s2)C[C@H]1O ZINC000358826281 171093507 /nfs/dbraw/zinc/09/35/07/171093507.db2.gz HNYAVEQRSGZRFF-RKDXNWHRSA-N 1 2 227.333 1.049 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)s2)C[C@H]1O ZINC000358826281 171093511 /nfs/dbraw/zinc/09/35/11/171093511.db2.gz HNYAVEQRSGZRFF-RKDXNWHRSA-N 1 2 227.333 1.049 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(C)nc1 ZINC000339077639 171110569 /nfs/dbraw/zinc/11/05/69/171110569.db2.gz SIIYYFKVDNJKMK-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(C)nc1 ZINC000339077639 171110570 /nfs/dbraw/zinc/11/05/70/171110570.db2.gz SIIYYFKVDNJKMK-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)ncn1 ZINC000292243913 171110932 /nfs/dbraw/zinc/11/09/32/171110932.db2.gz TVVHIMFJDSEPEE-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)ncn1 ZINC000292243913 171110936 /nfs/dbraw/zinc/11/09/36/171110936.db2.gz TVVHIMFJDSEPEE-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC(C)n1cc(C[NH+]2CC3(CC3)C2)nn1 ZINC000335375510 487621727 /nfs/dbraw/zinc/62/17/27/487621727.db2.gz KMMHQFKHJVLDIZ-UHFFFAOYSA-N 1 2 206.293 1.455 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCc1c[nH+]ccc1OC ZINC000293275622 171137079 /nfs/dbraw/zinc/13/70/79/171137079.db2.gz GMTGPXCMEFJJFQ-MWLCHTKSSA-N 1 2 249.314 1.688 20 0 BDADLO CC(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665052694 412070501 /nfs/dbraw/zinc/07/05/01/412070501.db2.gz OSJXHTZRLLUHTK-RKDXNWHRSA-N 1 2 207.277 1.048 20 0 BDADLO CC[C@@](C)([NH2+]Cc1ncc(Cl)s1)C(N)=O ZINC000336681431 171176777 /nfs/dbraw/zinc/17/67/77/171176777.db2.gz JCTOEKNIWUMSAL-SECBINFHSA-N 1 2 247.751 1.540 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000292926222 171203501 /nfs/dbraw/zinc/20/35/01/171203501.db2.gz STXWGMPFZBGKOJ-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000292926222 171203506 /nfs/dbraw/zinc/20/35/06/171203506.db2.gz STXWGMPFZBGKOJ-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ncc(C)o2)CCO1 ZINC000135712458 171204446 /nfs/dbraw/zinc/20/44/46/171204446.db2.gz VEGPZABONXXKJP-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ncc(C)o2)CCO1 ZINC000135712458 171204447 /nfs/dbraw/zinc/20/44/47/171204447.db2.gz VEGPZABONXXKJP-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(O)CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332632636 171214897 /nfs/dbraw/zinc/21/48/97/171214897.db2.gz INCKXUVZSIZWII-LDYMZIIASA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@@]1(O)CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332632636 171214898 /nfs/dbraw/zinc/21/48/98/171214898.db2.gz INCKXUVZSIZWII-LDYMZIIASA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccccn1 ZINC000275654563 171241112 /nfs/dbraw/zinc/24/11/12/171241112.db2.gz XLCFEPNZQCUISP-LLVKDONJSA-N 1 2 222.288 1.465 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccccn1 ZINC000275654563 171241113 /nfs/dbraw/zinc/24/11/13/171241113.db2.gz XLCFEPNZQCUISP-LLVKDONJSA-N 1 2 222.288 1.465 20 0 BDADLO CC[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000005580246 171251368 /nfs/dbraw/zinc/25/13/68/171251368.db2.gz DZUDHOJURSJIST-JTQLQIEISA-N 1 2 209.293 1.436 20 0 BDADLO CC[C@H](C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355137803 171253960 /nfs/dbraw/zinc/25/39/60/171253960.db2.gz HMIVXFRRFCADNU-TUAOUCFPSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276534864 171269492 /nfs/dbraw/zinc/26/94/92/171269492.db2.gz FKLWKUVOFWTWQU-PORFMDCZSA-N 1 2 221.304 1.927 20 0 BDADLO CC[C@H](C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049269312 171302603 /nfs/dbraw/zinc/30/26/03/171302603.db2.gz MILGWDZTSSNZPP-QWRGUYRKSA-N 1 2 238.335 1.712 20 0 BDADLO CC[NH+]1CCN(C(=O)c2ccc(F)s2)CC1 ZINC000665071239 412080989 /nfs/dbraw/zinc/08/09/89/412080989.db2.gz RUVXQEJFLPMZSN-UHFFFAOYSA-N 1 2 242.319 1.665 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000362978331 171368654 /nfs/dbraw/zinc/36/86/54/171368654.db2.gz ZGRYQAREXRSROS-MVWJERBFSA-N 1 2 243.347 1.589 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000354586474 171380046 /nfs/dbraw/zinc/38/00/46/171380046.db2.gz PVVKWFLSNUSTCG-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000272593094 171384768 /nfs/dbraw/zinc/38/47/68/171384768.db2.gz WETOCZUWTNUHHE-UWVGGRQHSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccc(-c2c[nH+]cn2C)c(CO)c1 ZINC000665207797 412140710 /nfs/dbraw/zinc/14/07/10/412140710.db2.gz ZHLOVDHNOVTCIA-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Cn1cc[nH+]c1-c1cnc2c(c1)OCCO2 ZINC000665180444 412120953 /nfs/dbraw/zinc/12/09/53/412120953.db2.gz DGKREYTVLFSZDY-UHFFFAOYSA-N 1 2 217.228 1.253 20 0 BDADLO CC[C@H](F)C[NH2+][C@H](C)c1ncn(C)n1 ZINC000336648938 171475232 /nfs/dbraw/zinc/47/52/32/171475232.db2.gz GZTKEUCYYZWYRL-SFYZADRCSA-N 1 2 200.261 1.214 20 0 BDADLO CC[C@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OC ZINC000336724706 171527767 /nfs/dbraw/zinc/52/77/67/171527767.db2.gz GAKRDPDGDFCZFB-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(Cl)s1 ZINC000624621022 412255742 /nfs/dbraw/zinc/25/57/42/412255742.db2.gz RPOXOLBXGYESTH-ZETCQYMHSA-N 1 2 247.751 1.539 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ncc(Cl)s1 ZINC000624621022 412255744 /nfs/dbraw/zinc/25/57/44/412255744.db2.gz RPOXOLBXGYESTH-ZETCQYMHSA-N 1 2 247.751 1.539 20 0 BDADLO CC(C)(CNc1cnccn1)n1cc[nH+]c1 ZINC000631368624 412256060 /nfs/dbraw/zinc/25/60/60/412256060.db2.gz NVLDZWGUYSLFIT-UHFFFAOYSA-N 1 2 217.276 1.520 20 0 BDADLO C[N@@H+]1CCc2ncnc(NCC(F)(F)F)c2C1 ZINC000623892800 412258113 /nfs/dbraw/zinc/25/81/13/412258113.db2.gz ZIGYNPRTFRSGAE-UHFFFAOYSA-N 1 2 246.236 1.439 20 0 BDADLO C[N@H+]1CCc2ncnc(NCC(F)(F)F)c2C1 ZINC000623892800 412258117 /nfs/dbraw/zinc/25/81/17/412258117.db2.gz ZIGYNPRTFRSGAE-UHFFFAOYSA-N 1 2 246.236 1.439 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000119430927 171629603 /nfs/dbraw/zinc/62/96/03/171629603.db2.gz XFAYZHJWZLYFAM-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@](C)(OC)C(=O)NCCCn1cc[nH+]c1 ZINC000281294756 171706629 /nfs/dbraw/zinc/70/66/29/171706629.db2.gz YIBIUABAPDKAQG-LBPRGKRZSA-N 1 2 239.319 1.205 20 0 BDADLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000662943475 412351732 /nfs/dbraw/zinc/35/17/32/412351732.db2.gz QVNDYKKPGSDDDJ-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000662943475 412351734 /nfs/dbraw/zinc/35/17/34/412351734.db2.gz QVNDYKKPGSDDDJ-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(c2cnccn2)CC1(C)C ZINC000663169847 412390819 /nfs/dbraw/zinc/39/08/19/412390819.db2.gz FJDJBRCYTVRTSW-NSHDSACASA-N 1 2 243.314 1.798 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000663164550 412390892 /nfs/dbraw/zinc/39/08/92/412390892.db2.gz DGWZLOOFRUOBML-MXWKQRLJSA-N 1 2 247.342 1.986 20 0 BDADLO CCc1[nH+]c2ccccc2n1CC(=O)NCCF ZINC000281697315 172014301 /nfs/dbraw/zinc/01/43/01/172014301.db2.gz HZFZRKQXHIHOFS-UHFFFAOYSA-N 1 2 249.289 1.684 20 0 BDADLO CCc1nnc([C@H]2C[N@H+](CC)CCO2)o1 ZINC000373042115 172067218 /nfs/dbraw/zinc/06/72/18/172067218.db2.gz KMAGKXDCAUDUAS-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO CCc1nnc([C@H]2C[N@@H+](CC)CCO2)o1 ZINC000373042115 172067220 /nfs/dbraw/zinc/06/72/20/172067220.db2.gz KMAGKXDCAUDUAS-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1cocn1 ZINC000339437073 172078574 /nfs/dbraw/zinc/07/85/74/172078574.db2.gz DLKHEQKYDNEUMK-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO CCc1noc([C@@H](C)N2CCn3cc[nH+]c3C2)n1 ZINC000331899604 172089206 /nfs/dbraw/zinc/08/92/06/172089206.db2.gz PSQLOTVMERTQSD-SECBINFHSA-N 1 2 247.302 1.405 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CCSC)n1 ZINC000361579579 172089598 /nfs/dbraw/zinc/08/95/98/172089598.db2.gz SOISUXSRBZAJDZ-MRVPVSSYSA-N 1 2 229.349 1.988 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CCSC)n1 ZINC000361579579 172089599 /nfs/dbraw/zinc/08/95/99/172089599.db2.gz SOISUXSRBZAJDZ-MRVPVSSYSA-N 1 2 229.349 1.988 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1ccnc(C)n1 ZINC000339607688 172095062 /nfs/dbraw/zinc/09/50/62/172095062.db2.gz KBISNPDOYJPRJR-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1ccnc(C)n1 ZINC000339607688 172095066 /nfs/dbraw/zinc/09/50/66/172095066.db2.gz KBISNPDOYJPRJR-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1CN(C)Cc1c[nH+]c[nH]1 ZINC000293360098 172095202 /nfs/dbraw/zinc/09/52/02/172095202.db2.gz IKFIOUYRIRGCKG-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCc1nocc1CN(C)Cc1c[nH]c[nH+]1 ZINC000293360098 172095203 /nfs/dbraw/zinc/09/52/03/172095203.db2.gz IKFIOUYRIRGCKG-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCc1nocc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000335668923 172098637 /nfs/dbraw/zinc/09/86/37/172098637.db2.gz AHJUNRLAELYOSL-AOOOYVTPSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000335668923 172098640 /nfs/dbraw/zinc/09/86/40/172098640.db2.gz AHJUNRLAELYOSL-AOOOYVTPSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cccnc1OC ZINC000339181061 172102355 /nfs/dbraw/zinc/10/23/55/172102355.db2.gz JUHDTRAZJBMOHF-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000353163023 172164767 /nfs/dbraw/zinc/16/47/67/172164767.db2.gz LEBHHVVFLQPKRJ-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000353163023 172164770 /nfs/dbraw/zinc/16/47/70/172164770.db2.gz LEBHHVVFLQPKRJ-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2nc(C)no2)cn1 ZINC000044499847 172194518 /nfs/dbraw/zinc/19/45/18/172194518.db2.gz WBAZQKBQMXMMMU-MRVPVSSYSA-N 1 2 235.291 1.445 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2cocn2)cn1 ZINC000309660274 172194860 /nfs/dbraw/zinc/19/48/60/172194860.db2.gz RCMRTBQDISIIBW-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCn1ccnc1C[NH+]1CCC(C(C)=O)CC1 ZINC000104422680 172221237 /nfs/dbraw/zinc/22/12/37/172221237.db2.gz QQXVKJHHMFWPJF-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000336349615 172222509 /nfs/dbraw/zinc/22/25/09/172222509.db2.gz PRTYUAVUKRLZIX-PHIMTYICSA-N 1 2 221.304 1.266 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1C[C@H](C)[C@@H]1C ZINC000298091683 172222617 /nfs/dbraw/zinc/22/26/17/172222617.db2.gz LPHXLVQFRMWSRO-UWVGGRQHSA-N 1 2 236.319 1.453 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1c(C)ccn1C ZINC000295811189 172222775 /nfs/dbraw/zinc/22/27/75/172222775.db2.gz SPNMRZGZWUPGOM-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO CCn1cc[nH+]c1CNc1cnccn1 ZINC000277036861 172226207 /nfs/dbraw/zinc/22/62/07/172226207.db2.gz LILVWKOUDJQPQO-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO CCn1nc(C)c(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000293421357 172243262 /nfs/dbraw/zinc/24/32/62/172243262.db2.gz NXUWTNPFYXPKAN-UHFFFAOYSA-N 1 2 245.286 1.562 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CC=C(C)CC2)n1 ZINC000294856647 172246184 /nfs/dbraw/zinc/24/61/84/172246184.db2.gz PEBHQMSXBUVMTB-UHFFFAOYSA-N 1 2 220.320 1.758 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CC=C(C)CC2)n1 ZINC000294856647 172246187 /nfs/dbraw/zinc/24/61/87/172246187.db2.gz PEBHQMSXBUVMTB-UHFFFAOYSA-N 1 2 220.320 1.758 20 0 BDADLO CCn1nccc1C[N@H+](CCO)Cc1ccco1 ZINC000355559135 172266136 /nfs/dbraw/zinc/26/61/36/172266136.db2.gz FFFDUJJLLXWNIY-UHFFFAOYSA-N 1 2 249.314 1.491 20 0 BDADLO CCn1nccc1C[N@@H+](CCO)Cc1ccco1 ZINC000355559135 172266138 /nfs/dbraw/zinc/26/61/38/172266138.db2.gz FFFDUJJLLXWNIY-UHFFFAOYSA-N 1 2 249.314 1.491 20 0 BDADLO CCn1ncnc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000336599981 172279252 /nfs/dbraw/zinc/27/92/52/172279252.db2.gz PBOZWGCUSFWRTP-SNVBAGLBSA-N 1 2 220.320 1.696 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000336599981 172279254 /nfs/dbraw/zinc/27/92/54/172279254.db2.gz PBOZWGCUSFWRTP-SNVBAGLBSA-N 1 2 220.320 1.696 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCc2ncccc2C1 ZINC000366377162 172280030 /nfs/dbraw/zinc/28/00/30/172280030.db2.gz GIGOMHDFIVLGOB-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCn1ncnc1C[N@H+]1CCc2ncccc2C1 ZINC000366377162 172280033 /nfs/dbraw/zinc/28/00/33/172280033.db2.gz GIGOMHDFIVLGOB-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000193298778 172280213 /nfs/dbraw/zinc/28/02/13/172280213.db2.gz LHBJRJKTVYHTRQ-NSHDSACASA-N 1 2 245.330 1.676 20 0 BDADLO CCn1ncnc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000193298778 172280216 /nfs/dbraw/zinc/28/02/16/172280216.db2.gz LHBJRJKTVYHTRQ-NSHDSACASA-N 1 2 245.330 1.676 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccnn1C(C)C ZINC000355593802 172282359 /nfs/dbraw/zinc/28/23/59/172282359.db2.gz DALLNDOKTCBRSX-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cncc(F)c1 ZINC000355602167 172282483 /nfs/dbraw/zinc/28/24/83/172282483.db2.gz UIAQIAWKZDEEBE-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO CN(C)C(=O)CN(C)c1cc[nH+]c2ccncc21 ZINC000267171838 172363546 /nfs/dbraw/zinc/36/35/46/172363546.db2.gz CJBNPLXOAUTSFO-UHFFFAOYSA-N 1 2 244.298 1.154 20 0 BDADLO CN(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082276028 172377167 /nfs/dbraw/zinc/37/71/67/172377167.db2.gz DFTYMGOHGTZHDB-VIFPVBQESA-N 1 2 222.292 1.271 20 0 BDADLO CN(C)c1ccc(CNc2cnccn2)c[nH+]1 ZINC000298440665 172554610 /nfs/dbraw/zinc/55/46/10/172554610.db2.gz QTRNXBYFNALDDK-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CC(C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683178989 487625706 /nfs/dbraw/zinc/62/57/06/487625706.db2.gz AAKSDAXZKDLUGQ-UHFFFAOYSA-N 1 2 219.244 1.044 20 0 BDADLO CN(Cc1ccno1)Cc1[nH+]ccn1C ZINC000272619630 172902081 /nfs/dbraw/zinc/90/20/81/172902081.db2.gz UNBUBKICYHBWSU-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cccnc1F ZINC000234297149 172931413 /nfs/dbraw/zinc/93/14/13/172931413.db2.gz QOZJZHBXPXJGSF-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO C[NH+]1CCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000278970146 173073051 /nfs/dbraw/zinc/07/30/51/173073051.db2.gz NNDXBLBAXKSNRX-UHFFFAOYSA-N 1 2 245.735 1.184 20 0 BDADLO C[NH+]1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000276111781 173074197 /nfs/dbraw/zinc/07/41/97/173074197.db2.gz USUVAEUNBYNKMW-UHFFFAOYSA-N 1 2 244.747 1.789 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2ccnc(C3CC3)n2)C1 ZINC000171884364 173108692 /nfs/dbraw/zinc/10/86/92/173108692.db2.gz GMILDHFETPISAY-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2ccnc(C3CC3)n2)C1 ZINC000171884364 173108695 /nfs/dbraw/zinc/10/86/95/173108695.db2.gz GMILDHFETPISAY-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@@H+]1CC[C@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037647406 173146579 /nfs/dbraw/zinc/14/65/79/173146579.db2.gz DRQVKSSCIFIYSU-SECBINFHSA-N 1 2 235.287 1.143 20 0 BDADLO C[N@H+]1CC[C@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037647406 173146580 /nfs/dbraw/zinc/14/65/80/173146580.db2.gz DRQVKSSCIFIYSU-SECBINFHSA-N 1 2 235.287 1.143 20 0 BDADLO CN1C[C@H](Nc2cccc[nH+]2)CCC1=O ZINC000077900740 173196547 /nfs/dbraw/zinc/19/65/47/173196547.db2.gz SEVAEQQIEXPIDD-SECBINFHSA-N 1 2 205.261 1.114 20 0 BDADLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000372972887 173201555 /nfs/dbraw/zinc/20/15/55/173201555.db2.gz ITYPLQWYELXENX-ZDUSSCGKSA-N 1 2 242.326 1.686 20 0 BDADLO CNC(=O)CCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000338337252 173235986 /nfs/dbraw/zinc/23/59/86/173235986.db2.gz GINLSYPPSFYVQG-UHFFFAOYSA-N 1 2 249.314 1.057 20 0 BDADLO CNC(=O)CCCNc1cc[nH+]c2ccncc12 ZINC000271565272 173243240 /nfs/dbraw/zinc/24/32/40/173243240.db2.gz ARCBSEQEBOGTGQ-UHFFFAOYSA-N 1 2 244.298 1.568 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148195 173275574 /nfs/dbraw/zinc/27/55/74/173275574.db2.gz AZXXINFEIVCADH-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148195 173275575 /nfs/dbraw/zinc/27/55/75/173275575.db2.gz AZXXINFEIVCADH-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292474231 173275577 /nfs/dbraw/zinc/27/55/77/173275577.db2.gz ROUUXXFAVKUYCI-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292474231 173275578 /nfs/dbraw/zinc/27/55/78/173275578.db2.gz ROUUXXFAVKUYCI-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)COc1ccc([NH2+]C(C)C)cc1 ZINC000088533268 173279263 /nfs/dbraw/zinc/27/92/63/173279263.db2.gz OYYKMHDIJQCVBY-UHFFFAOYSA-N 1 2 222.288 1.632 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309487 173281556 /nfs/dbraw/zinc/28/15/56/173281556.db2.gz WNPBCARXQHUDQO-MRVPVSSYSA-N 1 2 239.344 1.740 20 0 BDADLO CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340946522 173281574 /nfs/dbraw/zinc/28/15/74/173281574.db2.gz GXDCMPYLXMCYLC-NSHDSACASA-N 1 2 229.283 1.678 20 0 BDADLO CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000334960827 173293050 /nfs/dbraw/zinc/29/30/50/173293050.db2.gz KMHZNXCENLLIPX-UHFFFAOYSA-N 1 2 204.233 1.394 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc(C)c(C)c2)n1 ZINC000053140972 173399410 /nfs/dbraw/zinc/39/94/10/173399410.db2.gz QGSLANOXAIVFMB-UHFFFAOYSA-N 1 2 231.299 1.997 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000368487565 173607510 /nfs/dbraw/zinc/60/75/10/173607510.db2.gz KIRAGASTFZABGN-LLVKDONJSA-N 1 2 235.283 1.143 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCSC1 ZINC000036980339 173792424 /nfs/dbraw/zinc/79/24/24/173792424.db2.gz FEYSKIDDKZYQLW-UWVGGRQHSA-N 1 2 231.361 1.669 20 0 BDADLO COC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000332355085 174011912 /nfs/dbraw/zinc/01/19/12/174011912.db2.gz ADVVSYLXVZKZRP-UHFFFAOYSA-N 1 2 225.292 1.547 20 0 BDADLO COC1(c2noc(CCn3cc[nH+]c3)n2)CCC1 ZINC000274189672 174012037 /nfs/dbraw/zinc/01/20/37/174012037.db2.gz ZVHGCUARYSHXPS-UHFFFAOYSA-N 1 2 248.286 1.534 20 0 BDADLO COC1CCC([N@H+](C)Cc2noc(C)n2)CC1 ZINC000336692588 174022706 /nfs/dbraw/zinc/02/27/06/174022706.db2.gz IMBWHKGSTNERDF-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO COC1CCC([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000336692588 174022707 /nfs/dbraw/zinc/02/27/07/174022707.db2.gz IMBWHKGSTNERDF-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO COC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000298095501 174030666 /nfs/dbraw/zinc/03/06/66/174030666.db2.gz NGNGRFXZBSKLIK-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO COCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097214127 174057055 /nfs/dbraw/zinc/05/70/55/174057055.db2.gz XZPMWQBEEBXRCI-UHFFFAOYSA-N 1 2 208.261 1.592 20 0 BDADLO COCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000371248362 174059239 /nfs/dbraw/zinc/05/92/39/174059239.db2.gz VNQFEWIXQGDGAD-UHFFFAOYSA-N 1 2 245.282 1.970 20 0 BDADLO COCC(C)(C)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000310133873 174074279 /nfs/dbraw/zinc/07/42/79/174074279.db2.gz YUKCVSIAJLAUHF-JTQLQIEISA-N 1 2 245.363 1.979 20 0 BDADLO COCC1(O)C[NH+](Cc2cc(C)ccc2F)C1 ZINC000297527503 174113082 /nfs/dbraw/zinc/11/30/82/174113082.db2.gz NTHXMEGKGXXDOJ-UHFFFAOYSA-N 1 2 239.290 1.327 20 0 BDADLO COCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC000336722513 174116712 /nfs/dbraw/zinc/11/67/12/174116712.db2.gz BJYCHPCIVNNISE-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO COCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC000336722513 174116713 /nfs/dbraw/zinc/11/67/13/174116713.db2.gz BJYCHPCIVNNISE-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO COCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332395394 174123839 /nfs/dbraw/zinc/12/38/39/174123839.db2.gz SPIUVTCLEASZIR-SECBINFHSA-N 1 2 223.276 1.110 20 0 BDADLO COCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276459840 174133727 /nfs/dbraw/zinc/13/37/27/174133727.db2.gz BSNVSTAOKBOALX-SNVBAGLBSA-N 1 2 225.292 1.260 20 0 BDADLO COCCCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171162696 174213780 /nfs/dbraw/zinc/21/37/80/174213780.db2.gz IPSURYLZAZYZQI-UHFFFAOYSA-N 1 2 247.298 1.443 20 0 BDADLO COCCC[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336702806 174219290 /nfs/dbraw/zinc/21/92/90/174219290.db2.gz AKGZQVMVVWEHLT-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO COCCC[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336702806 174219294 /nfs/dbraw/zinc/21/92/94/174219294.db2.gz AKGZQVMVVWEHLT-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO COCCC[N@H+](CCOC)CC(F)F ZINC000103485394 174224455 /nfs/dbraw/zinc/22/44/55/174224455.db2.gz BUVDAGRFSUEQMM-UHFFFAOYSA-N 1 2 211.252 1.236 20 0 BDADLO COCCC[N@@H+](CCOC)CC(F)F ZINC000103485394 174224458 /nfs/dbraw/zinc/22/44/58/174224458.db2.gz BUVDAGRFSUEQMM-UHFFFAOYSA-N 1 2 211.252 1.236 20 0 BDADLO COCC[N@H+](C)CC(=O)OCc1ccccc1 ZINC000264460259 174274666 /nfs/dbraw/zinc/27/46/66/174274666.db2.gz KIQGTPNAJHDVMH-UHFFFAOYSA-N 1 2 237.299 1.308 20 0 BDADLO COCC[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000264460259 174274667 /nfs/dbraw/zinc/27/46/67/174274667.db2.gz KIQGTPNAJHDVMH-UHFFFAOYSA-N 1 2 237.299 1.308 20 0 BDADLO COCC[N@H+](C)CCN[C@@H](C)c1cncs1 ZINC000133219352 174279064 /nfs/dbraw/zinc/27/90/64/174279064.db2.gz PUNLFWHOXKOSDA-JTQLQIEISA-N 1 2 243.376 1.372 20 0 BDADLO COCC[N@@H+](C)CCN[C@@H](C)c1cncs1 ZINC000133219352 174279066 /nfs/dbraw/zinc/27/90/66/174279066.db2.gz PUNLFWHOXKOSDA-JTQLQIEISA-N 1 2 243.376 1.372 20 0 BDADLO COCC[NH+](CCOC)Cc1nccs1 ZINC000134958015 174296787 /nfs/dbraw/zinc/29/67/87/174296787.db2.gz AAQLVQBNAGNXSO-UHFFFAOYSA-N 1 2 230.333 1.238 20 0 BDADLO COCC[N@H+](Cc1ccco1)Cc1n[nH]cc1C ZINC000290428540 174301219 /nfs/dbraw/zinc/30/12/19/174301219.db2.gz MXQIAGGPUWYNOY-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO COCC[N@@H+](Cc1ccco1)Cc1n[nH]cc1C ZINC000290428540 174301221 /nfs/dbraw/zinc/30/12/21/174301221.db2.gz MXQIAGGPUWYNOY-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO COCCN1CC[NH+](Cc2cnccc2C)CC1 ZINC000269579020 174310280 /nfs/dbraw/zinc/31/02/80/174310280.db2.gz PGABJHMVZDWTGL-UHFFFAOYSA-N 1 2 249.358 1.154 20 0 BDADLO COCC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000309835991 174340811 /nfs/dbraw/zinc/34/08/11/174340811.db2.gz LUVLZTRBQBLZOM-NSHDSACASA-N 1 2 225.292 1.239 20 0 BDADLO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337425731 174492987 /nfs/dbraw/zinc/49/29/87/174492987.db2.gz WPSMRZFEMFYBKP-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337425731 174492989 /nfs/dbraw/zinc/49/29/89/174492989.db2.gz WPSMRZFEMFYBKP-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO COC[C@H](C)[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000337017620 174541702 /nfs/dbraw/zinc/54/17/02/174541702.db2.gz NGRJIJBSCMBHNR-QMMMGPOBSA-N 1 2 237.278 1.581 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000336684200 174606182 /nfs/dbraw/zinc/60/61/82/174606182.db2.gz DVKJYANQQRQRCO-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000336684200 174606183 /nfs/dbraw/zinc/60/61/83/174606183.db2.gz DVKJYANQQRQRCO-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO COc1cc(C(=O)Nc2cc[nH+]cc2C)nn1C ZINC000274687419 174949373 /nfs/dbraw/zinc/94/93/73/174949373.db2.gz KPOSYDNZAUNMLE-UHFFFAOYSA-N 1 2 246.270 1.384 20 0 BDADLO COc1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000061680475 175063673 /nfs/dbraw/zinc/06/36/73/175063673.db2.gz NBVHIBAFSOHCLN-UHFFFAOYSA-N 1 2 243.266 1.925 20 0 BDADLO COc1ccc(C[NH+]2CC(NC(C)=O)C2)cc1C ZINC000297553950 175098363 /nfs/dbraw/zinc/09/83/63/175098363.db2.gz ZWEKSKMVDDYZMM-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000339588735 175100853 /nfs/dbraw/zinc/10/08/53/175100853.db2.gz ZYLFBFSPFNQIKX-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000339588735 175100855 /nfs/dbraw/zinc/10/08/55/175100855.db2.gz ZYLFBFSPFNQIKX-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC3(CCC3)C2)nn1 ZINC000283145560 175101634 /nfs/dbraw/zinc/10/16/34/175101634.db2.gz OEVBQMVMNSWAJT-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1ccc(C[N@H+]2CCOC3(CCC3)C2)nn1 ZINC000283145560 175101636 /nfs/dbraw/zinc/10/16/36/175101636.db2.gz OEVBQMVMNSWAJT-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)nn1 ZINC000283180560 175101807 /nfs/dbraw/zinc/10/18/07/175101807.db2.gz QBVJQCFCHNXCLQ-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)nn1 ZINC000283180560 175101808 /nfs/dbraw/zinc/10/18/08/175101808.db2.gz QBVJQCFCHNXCLQ-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000338598546 175102083 /nfs/dbraw/zinc/10/20/83/175102083.db2.gz PKQKIJCEAGODEI-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CC3)cn1 ZINC000338598546 175102084 /nfs/dbraw/zinc/10/20/84/175102084.db2.gz PKQKIJCEAGODEI-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cccc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000353170462 175245067 /nfs/dbraw/zinc/24/50/67/175245067.db2.gz XZTPYUFIXABLSP-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000368888287 175259389 /nfs/dbraw/zinc/25/93/89/175259389.db2.gz LMAMTWDPLKKQJX-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000368888287 175259391 /nfs/dbraw/zinc/25/93/91/175259391.db2.gz LMAMTWDPLKKQJX-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366411594 175259500 /nfs/dbraw/zinc/25/95/00/175259500.db2.gz ZHJXOWYNXOMUQF-QWHCGFSZSA-N 1 2 219.284 1.668 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366411594 175259502 /nfs/dbraw/zinc/25/95/02/175259502.db2.gz ZHJXOWYNXOMUQF-QWHCGFSZSA-N 1 2 219.284 1.668 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000178585472 175259593 /nfs/dbraw/zinc/25/95/93/175259593.db2.gz MHNREEGHBKOYTN-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000178585472 175259594 /nfs/dbraw/zinc/25/95/94/175259594.db2.gz MHNREEGHBKOYTN-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000171859137 175261107 /nfs/dbraw/zinc/26/11/07/175261107.db2.gz QUQVNNWRAANMSJ-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000171859137 175261108 /nfs/dbraw/zinc/26/11/08/175261108.db2.gz QUQVNNWRAANMSJ-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184704056 175286294 /nfs/dbraw/zinc/28/62/94/175286294.db2.gz JFYNMECDGHHCDE-SECBINFHSA-N 1 2 245.269 1.973 20 0 BDADLO COc1ccccc1C[NH2+][C@H](C)c1ncnn1C ZINC000276674697 175331323 /nfs/dbraw/zinc/33/13/23/175331323.db2.gz KYOQKYYQIWIZSN-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccccc1[C@H]([NH3+])c1nnc(C)o1 ZINC000019729522 175352974 /nfs/dbraw/zinc/35/29/74/175352974.db2.gz IKQZZAWAXTZWPQ-JTQLQIEISA-N 1 2 219.244 1.435 20 0 BDADLO COc1ccnc(NCCNc2cccc[nH+]2)n1 ZINC000266565431 175364446 /nfs/dbraw/zinc/36/44/46/175364446.db2.gz KAPQQWMHASRYQC-UHFFFAOYSA-N 1 2 245.286 1.404 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCC(F)F ZINC000292721083 175370120 /nfs/dbraw/zinc/37/01/20/175370120.db2.gz PHMSAASVYDJQPF-UHFFFAOYSA-N 1 2 245.229 1.155 20 0 BDADLO COc1ccncc1C[NH2+][C@@H](C)c1nccn1C ZINC000340408813 175371808 /nfs/dbraw/zinc/37/18/08/175371808.db2.gz RFKKDUQPMLRRBT-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccncc1C[NH2+]Cc1[nH]ncc1C ZINC000292506480 175372416 /nfs/dbraw/zinc/37/24/16/175372416.db2.gz CVFWUGWDOXBCTL-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO COc1ccncc1C[NH2+]Cc1n[nH]cc1C ZINC000292506480 175372418 /nfs/dbraw/zinc/37/24/18/175372418.db2.gz CVFWUGWDOXBCTL-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO COc1cc[nH+]cc1Cn1ccc(C(C)=O)n1 ZINC000292778073 175374033 /nfs/dbraw/zinc/37/40/33/175374033.db2.gz POXCSAMRNBWVRI-UHFFFAOYSA-N 1 2 231.255 1.538 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](OC)C(C)C ZINC000361684490 175374457 /nfs/dbraw/zinc/37/44/57/175374457.db2.gz BIIMRDTUGWSCNF-NSHDSACASA-N 1 2 238.287 1.700 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](C)OC ZINC000131480083 175374619 /nfs/dbraw/zinc/37/46/19/175374619.db2.gz MHOFXJXNKIHVBG-ZETCQYMHSA-N 1 2 210.233 1.064 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C(F)(F)F ZINC000264108228 175374852 /nfs/dbraw/zinc/37/48/52/175374852.db2.gz AXHMBDIMBRTYSJ-UHFFFAOYSA-N 1 2 220.150 1.591 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCCC(C)=O ZINC000184451087 175375857 /nfs/dbraw/zinc/37/58/57/175375857.db2.gz BCZXVZBIKLCMAH-UHFFFAOYSA-N 1 2 236.271 1.788 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cn(C)nc1C ZINC000113040839 175376009 /nfs/dbraw/zinc/37/60/09/175376009.db2.gz YHONSVIXZVNKQX-UHFFFAOYSA-N 1 2 246.270 1.384 20 0 BDADLO COc1ncc(C[N@@H+]2CCOC[C@H]2C)c(C)n1 ZINC000337143193 175399594 /nfs/dbraw/zinc/39/95/94/175399594.db2.gz YCSHPIVDQHSWPU-SECBINFHSA-N 1 2 237.303 1.014 20 0 BDADLO COc1ncc(C[N@H+]2CCOC[C@H]2C)c(C)n1 ZINC000337143193 175399596 /nfs/dbraw/zinc/39/95/96/175399596.db2.gz YCSHPIVDQHSWPU-SECBINFHSA-N 1 2 237.303 1.014 20 0 BDADLO Cc1nnc(C[N@H+](CCCO)C2CC2)s1 ZINC000678624746 487631914 /nfs/dbraw/zinc/63/19/14/487631914.db2.gz PHFNJFLLQSUAIU-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@@H+](CCCO)C2CC2)s1 ZINC000678624746 487631916 /nfs/dbraw/zinc/63/19/16/487631916.db2.gz PHFNJFLLQSUAIU-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc[nH]n1 ZINC000177163932 176026102 /nfs/dbraw/zinc/02/61/02/176026102.db2.gz XMDDYVDRFZACMM-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc[nH]n1 ZINC000177163932 176026104 /nfs/dbraw/zinc/02/61/04/176026104.db2.gz XMDDYVDRFZACMM-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330991919 176030494 /nfs/dbraw/zinc/03/04/94/176030494.db2.gz SONWRYRZHGIAQJ-JFGNBEQYSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330991919 176030496 /nfs/dbraw/zinc/03/04/96/176030496.db2.gz SONWRYRZHGIAQJ-JFGNBEQYSA-N 1 2 249.314 1.767 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cn(C)nn1 ZINC000336670757 176032179 /nfs/dbraw/zinc/03/21/79/176032179.db2.gz WPCIHXGMATUJCJ-VIFPVBQESA-N 1 2 220.276 1.601 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336670757 176032180 /nfs/dbraw/zinc/03/21/80/176032180.db2.gz WPCIHXGMATUJCJ-VIFPVBQESA-N 1 2 220.276 1.601 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000184678602 176035068 /nfs/dbraw/zinc/03/50/68/176035068.db2.gz PQYLAOYHHFNKBV-NSHDSACASA-N 1 2 249.314 1.377 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCCC2(C1)OCCO2 ZINC000184678602 176035070 /nfs/dbraw/zinc/03/50/70/176035070.db2.gz PQYLAOYHHFNKBV-NSHDSACASA-N 1 2 249.314 1.377 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCCO ZINC000331778266 176037978 /nfs/dbraw/zinc/03/79/78/176037978.db2.gz OYDWHIYQTXRSQC-QMMMGPOBSA-N 1 2 225.292 1.322 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCCO ZINC000331778266 176037980 /nfs/dbraw/zinc/03/79/80/176037980.db2.gz OYDWHIYQTXRSQC-QMMMGPOBSA-N 1 2 225.292 1.322 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCc2sccc2C1 ZINC000286737753 176040329 /nfs/dbraw/zinc/04/03/29/176040329.db2.gz FIVHVVDFIIXSTE-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCc2sccc2C1 ZINC000286737753 176040331 /nfs/dbraw/zinc/04/03/31/176040331.db2.gz FIVHVVDFIIXSTE-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H](c1noc([C@H]2C[N@H+](C)CCO2)n1)C1CC1 ZINC000333637751 176041716 /nfs/dbraw/zinc/04/17/16/176041716.db2.gz BREPKFKHYOATMN-PSASIEDQSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@@H](c1noc([C@H]2C[N@@H+](C)CCO2)n1)C1CC1 ZINC000333637751 176041717 /nfs/dbraw/zinc/04/17/17/176041717.db2.gz BREPKFKHYOATMN-PSASIEDQSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000330095388 176042581 /nfs/dbraw/zinc/04/25/81/176042581.db2.gz VJNBJRXZMKVBSR-DTWKUNHWSA-N 1 2 248.282 1.153 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(F)cc1 ZINC000072097757 176045925 /nfs/dbraw/zinc/04/59/25/176045925.db2.gz GWAMVRROFBLJQT-SECBINFHSA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072097757 176045926 /nfs/dbraw/zinc/04/59/26/176045926.db2.gz GWAMVRROFBLJQT-SECBINFHSA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H]1CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000336389637 176146653 /nfs/dbraw/zinc/14/66/53/176146653.db2.gz KSODECNHFJRRBG-GHMZBOCLSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000123382722 176154584 /nfs/dbraw/zinc/15/45/84/176154584.db2.gz KTBCPDCDBWAAIR-PWSUYJOCSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@@H]1CCN(C(=O)NCCNc2cccc[nH+]2)C1 ZINC000336956841 176158358 /nfs/dbraw/zinc/15/83/58/176158358.db2.gz ZYCMIRDTCTYEMY-LLVKDONJSA-N 1 2 248.330 1.545 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccco2)CC[S@@]1=O ZINC000277752669 176175795 /nfs/dbraw/zinc/17/57/95/176175795.db2.gz VAMFTAUTEQOROC-BMIGLBTASA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccco2)CC[S@@]1=O ZINC000277752669 176175797 /nfs/dbraw/zinc/17/57/97/176175797.db2.gz VAMFTAUTEQOROC-BMIGLBTASA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000282196057 176184562 /nfs/dbraw/zinc/18/45/62/176184562.db2.gz CFZLXVZHSFHDCM-PRHODGIISA-N 1 2 249.314 1.166 20 0 BDADLO C[C@@H]1CCSCCN1C(=O)Cn1cc[nH+]c1 ZINC000276735314 176193853 /nfs/dbraw/zinc/19/38/53/176193853.db2.gz CBRBMAMQLATCSP-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccon2)O1 ZINC000276539476 176202059 /nfs/dbraw/zinc/20/20/59/176202059.db2.gz YWIWYRIRKTVOLI-KOLCDFICSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccon2)O1 ZINC000276539476 176202061 /nfs/dbraw/zinc/20/20/61/176202061.db2.gz YWIWYRIRKTVOLI-KOLCDFICSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1CC[C@@H](CCC(=O)NCc2[nH]cc[nH+]2)O1 ZINC000266593463 176202371 /nfs/dbraw/zinc/20/23/71/176202371.db2.gz SZRLPDOOOXLNFJ-ZJUUUORDSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357178728 176206625 /nfs/dbraw/zinc/20/66/25/176206625.db2.gz AEUNOLLMWNVZBH-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)O1 ZINC000333913891 176220990 /nfs/dbraw/zinc/22/09/90/176220990.db2.gz YHZOUURJOIDMLT-MWLCHTKSSA-N 1 2 245.282 1.840 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339167246 176224916 /nfs/dbraw/zinc/22/49/16/176224916.db2.gz CIGCJEKVAWZIJB-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1C[N@H+](CCC(=O)c2ccccc2)CCO1 ZINC000053931542 176286975 /nfs/dbraw/zinc/28/69/75/176286975.db2.gz WTDJMISTIPHOGO-GFCCVEGCSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccccc2)CCO1 ZINC000053931542 176286976 /nfs/dbraw/zinc/28/69/76/176286976.db2.gz WTDJMISTIPHOGO-GFCCVEGCSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H](C)S1=O ZINC000362070002 176299888 /nfs/dbraw/zinc/29/98/88/176299888.db2.gz VVAOCDDUMCIFFU-IJLUTSLNSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC(=O)N1C ZINC000282001322 176304031 /nfs/dbraw/zinc/30/40/31/176304031.db2.gz CZAKEOQNDQYWDW-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC(=O)N1C ZINC000282001322 176304032 /nfs/dbraw/zinc/30/40/32/176304032.db2.gz CZAKEOQNDQYWDW-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@@H](C)O1 ZINC000269539749 176308403 /nfs/dbraw/zinc/30/84/03/176308403.db2.gz WGYLRIIOPKCYBS-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnc3cnccn23)C[C@@H](C)O1 ZINC000156560229 176310733 /nfs/dbraw/zinc/31/07/33/176310733.db2.gz YSQHPUONGSBMEM-GHMZBOCLSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)s2)CC[C@H]1O ZINC000335833877 176311732 /nfs/dbraw/zinc/31/17/32/176311732.db2.gz KWOCFRLVDYQZSH-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)CC[C@H]1O ZINC000335833877 176311733 /nfs/dbraw/zinc/31/17/33/176311733.db2.gz KWOCFRLVDYQZSH-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[S@@]1=O ZINC000361318769 176317147 /nfs/dbraw/zinc/31/71/47/176317147.db2.gz PIPQVSVUQYMSHP-GDLHICMESA-N 1 2 249.379 1.995 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[S@@]1=O ZINC000361318769 176317149 /nfs/dbraw/zinc/31/71/49/176317149.db2.gz PIPQVSVUQYMSHP-GDLHICMESA-N 1 2 249.379 1.995 20 0 BDADLO C[C@@H]1CSCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283652926 176350745 /nfs/dbraw/zinc/35/07/45/176350745.db2.gz DDQVMAOXJPJTJP-GKQMSVHHSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2nncs2)C1 ZINC000354211639 176363047 /nfs/dbraw/zinc/36/30/47/176363047.db2.gz XHYYVQZCQFRVCZ-HTQZYQBOSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000354211639 176363050 /nfs/dbraw/zinc/36/30/50/176363050.db2.gz XHYYVQZCQFRVCZ-HTQZYQBOSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000360488696 176365988 /nfs/dbraw/zinc/36/59/88/176365988.db2.gz JYYYMCMBMIGYBW-IJLUTSLNSA-N 1 2 235.331 1.776 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284496731 176373067 /nfs/dbraw/zinc/37/30/67/176373067.db2.gz URLXSMYMYXZGFP-NBYFHADBSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000299684364 176392584 /nfs/dbraw/zinc/39/25/84/176392584.db2.gz SVQIYDVLIFGRMC-NXEZZACHSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c2nccn21 ZINC000294272016 176422242 /nfs/dbraw/zinc/42/22/42/176422242.db2.gz YAKSFNFIJAJYPC-CSMHCCOUSA-N 1 2 249.236 1.402 20 0 BDADLO C[C@H]([NH2+]Cc1ncc[nH]1)C(=O)Nc1ccccc1 ZINC000112099866 176883473 /nfs/dbraw/zinc/88/34/73/176883473.db2.gz TWLXGSIUDUBSEZ-JTQLQIEISA-N 1 2 244.298 1.527 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000265818102 177000075 /nfs/dbraw/zinc/00/00/75/177000075.db2.gz HGOASSSAVYSEPW-IUCAKERBSA-N 1 2 249.318 1.182 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000290530833 177002280 /nfs/dbraw/zinc/00/22/80/177002280.db2.gz QPXUZNZDJQORTC-JQWIXIFHSA-N 1 2 241.356 1.720 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccsc1 ZINC000290530833 177002281 /nfs/dbraw/zinc/00/22/81/177002281.db2.gz QPXUZNZDJQORTC-JQWIXIFHSA-N 1 2 241.356 1.720 20 0 BDADLO C[C@H](c1nc2ccccc2o1)[N@H+](C)CC(N)=O ZINC000272361112 177054242 /nfs/dbraw/zinc/05/42/42/177054242.db2.gz WIWBPJIVQCPPAY-MRVPVSSYSA-N 1 2 233.271 1.306 20 0 BDADLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)CC(N)=O ZINC000272361112 177054244 /nfs/dbraw/zinc/05/42/44/177054244.db2.gz WIWBPJIVQCPPAY-MRVPVSSYSA-N 1 2 233.271 1.306 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000123533609 177060713 /nfs/dbraw/zinc/06/07/13/177060713.db2.gz AMLVGYFNUFVOMU-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000123533609 177060714 /nfs/dbraw/zinc/06/07/14/177060714.db2.gz AMLVGYFNUFVOMU-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000299665939 177092079 /nfs/dbraw/zinc/09/20/79/177092079.db2.gz PYIBDHIYVDAEBF-NSHDSACASA-N 1 2 221.304 1.532 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376954190 177107016 /nfs/dbraw/zinc/10/70/16/177107016.db2.gz JDTLJWSVWXDWDY-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1CCCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332869556 177107228 /nfs/dbraw/zinc/10/72/28/177107228.db2.gz VFSIGNYTYFOUFO-VHSXEESVSA-N 1 2 248.330 1.461 20 0 BDADLO C[C@H]1CCCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332869556 177107229 /nfs/dbraw/zinc/10/72/29/177107229.db2.gz VFSIGNYTYFOUFO-VHSXEESVSA-N 1 2 248.330 1.461 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000279708857 177147306 /nfs/dbraw/zinc/14/73/06/177147306.db2.gz ANVQXJLSJOWEOF-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CCS1 ZINC000336430727 177148413 /nfs/dbraw/zinc/14/84/13/177148413.db2.gz QJSADUXLJKKXHA-JTQLQIEISA-N 1 2 239.344 1.237 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccn2C)CC[S@@]1=O ZINC000277421109 177165291 /nfs/dbraw/zinc/16/52/91/177165291.db2.gz IEVGTUOMWXINFX-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccn2C)CC[S@@]1=O ZINC000277421109 177165289 /nfs/dbraw/zinc/16/52/89/177165289.db2.gz IEVGTUOMWXINFX-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)[C@H]1C ZINC000278395290 177171850 /nfs/dbraw/zinc/17/18/50/177171850.db2.gz MMPDNBMEGMVSPI-YUMQZZPRSA-N 1 2 246.318 1.180 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000276556385 177215615 /nfs/dbraw/zinc/21/56/15/177215615.db2.gz LBALZFOPZKIPKZ-QWRGUYRKSA-N 1 2 235.331 1.467 20 0 BDADLO C[C@H]1C[N@H+](CCCCCF)CC[S@@]1=O ZINC000341870586 177248513 /nfs/dbraw/zinc/24/85/13/177248513.db2.gz LOQMRDOAMCVHKG-HZMBPMFUSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@H]1C[N@@H+](CCCCCF)CC[S@@]1=O ZINC000341870586 177248514 /nfs/dbraw/zinc/24/85/14/177248514.db2.gz LOQMRDOAMCVHKG-HZMBPMFUSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@H]1C[N@H+](CCO[C@H]2CCCCO2)CCC1=O ZINC000338565870 177252750 /nfs/dbraw/zinc/25/27/50/177252750.db2.gz BWOQPFRWYOTCEI-AAEUAGOBSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@@H+](CCO[C@H]2CCCCO2)CCC1=O ZINC000338565870 177252751 /nfs/dbraw/zinc/25/27/51/177252751.db2.gz BWOQPFRWYOTCEI-AAEUAGOBSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000283915458 177256441 /nfs/dbraw/zinc/25/64/41/177256441.db2.gz GEYNBYUENRGUON-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000283915458 177256444 /nfs/dbraw/zinc/25/64/44/177256444.db2.gz GEYNBYUENRGUON-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@](=O)[C@@H](C)C2)O1 ZINC000354832498 177258743 /nfs/dbraw/zinc/25/87/43/177258743.db2.gz IHULHTUFOIDUMR-RSQPEXBXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@](=O)[C@@H](C)C2)O1 ZINC000354832498 177258744 /nfs/dbraw/zinc/25/87/44/177258744.db2.gz IHULHTUFOIDUMR-RSQPEXBXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H](C)O1 ZINC000073394375 177266376 /nfs/dbraw/zinc/26/63/76/177266376.db2.gz QXEHTNDDFKHFDP-PHIMTYICSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H](C)O1 ZINC000073394375 177266377 /nfs/dbraw/zinc/26/63/77/177266377.db2.gz QXEHTNDDFKHFDP-PHIMTYICSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[N@H+](Cc2cocn2)C[C@@]2(CCOC2)O1 ZINC000280131241 177270789 /nfs/dbraw/zinc/27/07/89/177270789.db2.gz CKFDUIOQWJUBMJ-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cocn2)C[C@@]2(CCOC2)O1 ZINC000280131241 177270790 /nfs/dbraw/zinc/27/07/90/177270790.db2.gz CKFDUIOQWJUBMJ-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnnn2C(C)(C)C)[C@H]1C ZINC000339568206 177272461 /nfs/dbraw/zinc/27/24/61/177272461.db2.gz MAVZYXSBRSBFKL-IUCAKERBSA-N 1 2 223.324 1.268 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)[C@H]1C ZINC000339568206 177272462 /nfs/dbraw/zinc/27/24/62/177272462.db2.gz MAVZYXSBRSBFKL-IUCAKERBSA-N 1 2 223.324 1.268 20 0 BDADLO C[C@H]1COCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000374359570 177288482 /nfs/dbraw/zinc/28/84/82/177288482.db2.gz MFQSRGCQUYEKTF-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@H]1COCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000374359570 177288484 /nfs/dbraw/zinc/28/84/84/177288484.db2.gz MFQSRGCQUYEKTF-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307933510 177291811 /nfs/dbraw/zinc/29/18/11/177291811.db2.gz GPGZDYRHQRYQHK-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000307933510 177291812 /nfs/dbraw/zinc/29/18/12/177291812.db2.gz GPGZDYRHQRYQHK-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CSCCN1C(=O)CCn1cc[nH+]c1 ZINC000265662157 177304125 /nfs/dbraw/zinc/30/41/25/177304125.db2.gz YLACYEHMJHMZAW-JTQLQIEISA-N 1 2 239.344 1.237 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1nccn1C ZINC000172591225 177304751 /nfs/dbraw/zinc/30/47/51/177304751.db2.gz PPCCWRHRIMXDJO-VIFPVBQESA-N 1 2 211.334 1.357 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1nccn1C ZINC000172591225 177304752 /nfs/dbraw/zinc/30/47/52/177304752.db2.gz PPCCWRHRIMXDJO-VIFPVBQESA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000360488698 177311621 /nfs/dbraw/zinc/31/16/21/177311621.db2.gz JYYYMCMBMIGYBW-WOPDTQHZSA-N 1 2 235.331 1.776 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)NCc1c[nH+]cn1C ZINC000336290758 177318757 /nfs/dbraw/zinc/31/87/57/177318757.db2.gz CUQZVLRNGIOOPD-VHSXEESVSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1nncs1 ZINC000354211640 177318769 /nfs/dbraw/zinc/31/87/69/177318769.db2.gz XHYYVQZCQFRVCZ-JGVFFNPUSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1nncs1 ZINC000354211640 177318770 /nfs/dbraw/zinc/31/87/70/177318770.db2.gz XHYYVQZCQFRVCZ-JGVFFNPUSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982531 177337575 /nfs/dbraw/zinc/33/75/75/177337575.db2.gz DLXRYOCVSPKMDT-DTWKUNHWSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982531 177337577 /nfs/dbraw/zinc/33/75/77/177337577.db2.gz DLXRYOCVSPKMDT-DTWKUNHWSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H]1C[C@H](NCC(F)(F)CO)c2[nH+]ccn21 ZINC000293838102 177368938 /nfs/dbraw/zinc/36/89/38/177368938.db2.gz BTNMQYKZQOQICY-YUMQZZPRSA-N 1 2 231.246 1.106 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000355221585 177377769 /nfs/dbraw/zinc/37/77/69/177377769.db2.gz DRVDIVPTJWGSBH-RYUDHWBXSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H]1C[C@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000357321618 177379595 /nfs/dbraw/zinc/37/95/95/177379595.db2.gz ARDYQSVEYYVCFG-ONGXEEELSA-N 1 2 232.331 1.788 20 0 BDADLO C[C@H]1C[C@H]1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000357321618 177379597 /nfs/dbraw/zinc/37/95/97/177379597.db2.gz ARDYQSVEYYVCFG-ONGXEEELSA-N 1 2 232.331 1.788 20 0 BDADLO C[C@]([NH2+]CCF)(C(N)=O)c1cccc(Cl)c1 ZINC000309462560 177445456 /nfs/dbraw/zinc/44/54/56/177445456.db2.gz PEIRFGMLNDIPHU-LLVKDONJSA-N 1 2 244.697 1.600 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493957 487639833 /nfs/dbraw/zinc/63/98/33/487639833.db2.gz AQKSQRJHTVSVTA-KOLCDFICSA-N 1 2 231.299 1.114 20 0 BDADLO C[C@@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCOC1(C)C ZINC000492810508 224681860 /nfs/dbraw/zinc/68/18/60/224681860.db2.gz IGFWOBSSFJLOHY-YEZKRMTDSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000678044204 487642686 /nfs/dbraw/zinc/64/26/86/487642686.db2.gz NMFIPWUXKHHRJK-CIUDSAMLSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000678044204 487642691 /nfs/dbraw/zinc/64/26/91/487642691.db2.gz NMFIPWUXKHHRJK-CIUDSAMLSA-N 1 2 241.253 1.266 20 0 BDADLO Cc1ccc(NCCc2cn(C)c[nH+]2)nn1 ZINC000313480965 487642406 /nfs/dbraw/zinc/64/24/06/487642406.db2.gz HHKPIKTYQQZQTH-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO COCc1cnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000471803149 225081712 /nfs/dbraw/zinc/08/17/12/225081712.db2.gz FSTHJYWDUVCPAL-DTWKUNHWSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1cnc(C[N@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000471803149 225081715 /nfs/dbraw/zinc/08/17/15/225081715.db2.gz FSTHJYWDUVCPAL-DTWKUNHWSA-N 1 2 242.344 1.245 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000471825625 225085182 /nfs/dbraw/zinc/08/51/82/225085182.db2.gz KEHPJPUMDSZSIN-LLVKDONJSA-N 1 2 222.288 1.421 20 0 BDADLO Cc1nc(N(C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488369513 225387120 /nfs/dbraw/zinc/38/71/20/225387120.db2.gz RHWIHXDZQIEYGN-UHFFFAOYSA-N 1 2 209.297 1.091 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)C(C)C)[nH+]1 ZINC000488369513 225387125 /nfs/dbraw/zinc/38/71/25/225387125.db2.gz RHWIHXDZQIEYGN-UHFFFAOYSA-N 1 2 209.297 1.091 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H]2CC2(C)C)[nH+]1 ZINC000488383379 225389417 /nfs/dbraw/zinc/38/94/17/225389417.db2.gz YBLSKQBPVGHAEL-SECBINFHSA-N 1 2 235.335 1.126 20 0 BDADLO Cc1nc(NC[C@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000488383379 225389419 /nfs/dbraw/zinc/38/94/19/225389419.db2.gz YBLSKQBPVGHAEL-SECBINFHSA-N 1 2 235.335 1.126 20 0 BDADLO Cc1nc(N(C)CC(C)(C)C)nc(N(C)C)[nH+]1 ZINC000488422430 225393665 /nfs/dbraw/zinc/39/36/65/225393665.db2.gz UVALQAUZFWZPBV-UHFFFAOYSA-N 1 2 237.351 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)CC(C)(C)C)[nH+]1 ZINC000488422430 225393672 /nfs/dbraw/zinc/39/36/72/225393672.db2.gz UVALQAUZFWZPBV-UHFFFAOYSA-N 1 2 237.351 1.728 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668321338 487647106 /nfs/dbraw/zinc/64/71/06/487647106.db2.gz RAMUBSBURNWAMZ-KKOKHZNYSA-N 1 2 247.342 1.828 20 0 BDADLO O=C(/C=C/C1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492689142 226039128 /nfs/dbraw/zinc/03/91/28/226039128.db2.gz MBQCWXQCSXPPPA-PGLGOXFNSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)c(=O)[nH]1 ZINC000492762236 226048084 /nfs/dbraw/zinc/04/80/84/226048084.db2.gz HPPGGPXEGJZABV-HYXAFXHYSA-N 1 2 244.254 1.471 20 0 BDADLO Cc1ncsc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813451 226059365 /nfs/dbraw/zinc/05/93/65/226059365.db2.gz PKODXGKLWHCZLK-NSCUHMNNSA-N 1 2 234.284 1.827 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccnc1 ZINC000492824982 226061261 /nfs/dbraw/zinc/06/12/61/226061261.db2.gz RGXJDVUGGQMIMO-ONEGZZNKSA-N 1 2 228.255 1.134 20 0 BDADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)nc1 ZINC000492827553 226062026 /nfs/dbraw/zinc/06/20/26/226062026.db2.gz XEJGNWFJLJHTPU-HWKANZROSA-N 1 2 228.255 1.765 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856003 226066663 /nfs/dbraw/zinc/06/66/63/226066663.db2.gz BBNJXMPSWSGYDN-DFJPWHLASA-N 1 2 219.288 1.728 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CC1 ZINC000492892976 226076656 /nfs/dbraw/zinc/07/66/56/226076656.db2.gz FUWIXFLNRMXQCT-MJKAUQOVSA-N 1 2 217.272 1.338 20 0 BDADLO Cn1cccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902273 226079506 /nfs/dbraw/zinc/07/95/06/226079506.db2.gz QPFZMNVVAGVFPP-PLNGDYQASA-N 1 2 230.271 1.078 20 0 BDADLO CCn1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903843 226079591 /nfs/dbraw/zinc/07/95/91/226079591.db2.gz UXUKUPYXJXEXPA-ARJAWSKDSA-N 1 2 231.259 1.278 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccc[nH]1 ZINC000492900989 226079973 /nfs/dbraw/zinc/07/99/73/226079973.db2.gz OLTCYNADYLXEBQ-ARJAWSKDSA-N 1 2 230.271 1.110 20 0 BDADLO Cc1ncsc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903841 226080087 /nfs/dbraw/zinc/08/00/87/226080087.db2.gz UXCBKYZNBDBDEK-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(C(F)F)CC1 ZINC000492904069 226081287 /nfs/dbraw/zinc/08/12/87/226081287.db2.gz VQKCAUKTAIVYGV-OWOJBTEDSA-N 1 2 227.214 1.337 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000492904935 226081820 /nfs/dbraw/zinc/08/18/20/226081820.db2.gz YDFUXOYGAYUOSA-IHWYPQMZSA-N 1 2 235.287 1.060 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1nccs1 ZINC000493082253 226120514 /nfs/dbraw/zinc/12/05/14/226120514.db2.gz HPYAPDAKDSMOPZ-NSCUHMNNSA-N 1 2 234.284 1.542 20 0 BDADLO C[C@@H]1CN=C(NC(=O)C=Cc2c[nH]c[nH+]2)S1 ZINC000493093842 226125257 /nfs/dbraw/zinc/12/52/57/226125257.db2.gz KHUNPPWAZPJEPO-TYWZFMJISA-N 1 2 236.300 1.030 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCn2nccc21 ZINC000493105142 226128369 /nfs/dbraw/zinc/12/83/69/226128369.db2.gz LIZFWQFYPCMZDI-IHWYPQMZSA-N 1 2 243.270 1.056 20 0 BDADLO COC[C@@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493165260 226143429 /nfs/dbraw/zinc/14/34/29/226143429.db2.gz XQTDESPAEPHETR-QRGHLMKCSA-N 1 2 249.314 1.450 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCSC1 ZINC000493193906 226150563 /nfs/dbraw/zinc/15/05/63/226150563.db2.gz TUPNUHJOPWYTIT-VWCDRPFISA-N 1 2 237.328 1.292 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC12CCCC2 ZINC000493197397 226153822 /nfs/dbraw/zinc/15/38/22/226153822.db2.gz YIBYLEKWOJZDDM-FSIBCCDJSA-N 1 2 231.299 1.872 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1Cc2ccccc2C1 ZINC000493270132 226171051 /nfs/dbraw/zinc/17/10/51/226171051.db2.gz ZQSOABGSSMHMIP-AATRIKPKSA-N 1 2 239.278 1.965 20 0 BDADLO C[C@@H]1C[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C)O1 ZINC000493281716 226173805 /nfs/dbraw/zinc/17/38/05/226173805.db2.gz AAWXCJFNHGCRGF-DYSSWMIWSA-N 1 2 249.314 1.353 20 0 BDADLO Cc1nnc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000493406053 226208272 /nfs/dbraw/zinc/20/82/72/226208272.db2.gz YREKLNGIAVGQBW-ONEGZZNKSA-N 1 2 249.299 1.246 20 0 BDADLO C[C@@H]1COC[C@H](C)N1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493477893 226227352 /nfs/dbraw/zinc/22/73/52/226227352.db2.gz BOOIVJCBMZPYNC-LDYOUVJNSA-N 1 2 235.287 1.059 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1ccn(C)c1 ZINC000493492888 226231234 /nfs/dbraw/zinc/23/12/34/226231234.db2.gz ZCIVKLARBXGCDQ-ARJAWSKDSA-N 1 2 241.294 1.802 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493543621 226240847 /nfs/dbraw/zinc/24/08/47/226240847.db2.gz BINPLHSHQUIRQT-ZJELKQJVSA-N 1 2 205.261 1.338 20 0 BDADLO O=C(/C=C\C1CCCC1)NCCc1[nH]cc[nH+]1 ZINC000493561152 226243526 /nfs/dbraw/zinc/24/35/26/226243526.db2.gz YGLDBKGDGIUZMM-WAYWQWQTSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000493591011 226244943 /nfs/dbraw/zinc/24/49/43/226244943.db2.gz OSEHBHCTHKISEZ-LEPVOYDJSA-N 1 2 231.299 1.728 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCCO1 ZINC000493740395 226251956 /nfs/dbraw/zinc/25/19/56/226251956.db2.gz NSADXESLKNFXAO-ORAHPGNNSA-N 1 2 235.287 1.108 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cncs2)cc[nH+]1 ZINC000493835988 226256505 /nfs/dbraw/zinc/25/65/05/226256505.db2.gz LATQKCYXRSEVMC-NSCUHMNNSA-N 1 2 245.307 1.920 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493974099 226259504 /nfs/dbraw/zinc/25/95/04/226259504.db2.gz GZQQNESMMXLNGN-QWRGUYRKSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493974099 226259505 /nfs/dbraw/zinc/25/95/05/226259505.db2.gz GZQQNESMMXLNGN-QWRGUYRKSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H]1C[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000680805375 487649311 /nfs/dbraw/zinc/64/93/11/487649311.db2.gz CFPUXCXBBRRCRM-APPZFPTMSA-N 1 2 218.260 1.517 20 0 BDADLO Cc1cc(N2CC[C@@H](C(F)F)C2)nc[nH+]1 ZINC000672275328 487651783 /nfs/dbraw/zinc/65/17/83/487651783.db2.gz ONXGDXRENOKBNN-MRVPVSSYSA-N 1 2 213.231 1.876 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1coc(C2CC2)n1 ZINC000680846368 487657634 /nfs/dbraw/zinc/65/76/34/487657634.db2.gz XIQXMOYCXZFINR-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO Cc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000351413499 487660834 /nfs/dbraw/zinc/66/08/34/487660834.db2.gz XILZIJVNQLRUSF-UHFFFAOYSA-N 1 2 218.260 1.502 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@H](C)C(F)F ZINC000228519896 487671162 /nfs/dbraw/zinc/67/11/62/487671162.db2.gz SAUURJUUOWSFME-SSDOTTSWSA-N 1 2 217.263 1.726 20 0 BDADLO CO[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000493554433 229214664 /nfs/dbraw/zinc/21/46/64/229214664.db2.gz QJGUSJSAHHXJDT-DOGVGXBMSA-N 1 2 237.303 1.210 20 0 BDADLO CCCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000557682530 322941020 /nfs/dbraw/zinc/94/10/20/322941020.db2.gz PPEWEKWEVWHGBJ-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661511263 487677706 /nfs/dbraw/zinc/67/77/06/487677706.db2.gz KNWYFZKXJCSYBE-STQMWFEESA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661511263 487677711 /nfs/dbraw/zinc/67/77/11/487677711.db2.gz KNWYFZKXJCSYBE-STQMWFEESA-N 1 2 248.301 1.803 20 0 BDADLO CCc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc[nH+]1 ZINC000087689663 487678992 /nfs/dbraw/zinc/67/89/92/487678992.db2.gz YSOZUYXVPWRIBS-MXWKQRLJSA-N 1 2 219.288 1.771 20 0 BDADLO CCc1cc(C)nc(-n2c[nH+]c(CCCO)c2)n1 ZINC000680958063 487679856 /nfs/dbraw/zinc/67/98/56/487679856.db2.gz SJXSWDFMMATAMP-UHFFFAOYSA-N 1 2 246.314 1.458 20 0 BDADLO CCc1nc(N(C)Cc2ncc[nH]2)cc(C)[nH+]1 ZINC000672217793 487685776 /nfs/dbraw/zinc/68/57/76/487685776.db2.gz RSWJVOXMFJGIBY-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CCC2 ZINC000675295283 487693774 /nfs/dbraw/zinc/69/37/74/487693774.db2.gz GWJQKIVOLFDZHV-JTQLQIEISA-N 1 2 219.288 1.190 20 0 BDADLO COC[C@H]1C[N@H+](CC2(F)CC2)C[C@H](C)O1 ZINC000527234642 262834689 /nfs/dbraw/zinc/83/46/89/262834689.db2.gz NOZMXPWJCUVGJN-VHSXEESVSA-N 1 2 217.284 1.224 20 0 BDADLO COC[C@H]1C[N@@H+](CC2(F)CC2)C[C@H](C)O1 ZINC000527234642 262834690 /nfs/dbraw/zinc/83/46/90/262834690.db2.gz NOZMXPWJCUVGJN-VHSXEESVSA-N 1 2 217.284 1.224 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cnn(CC)n2)cn1 ZINC000527734527 262877998 /nfs/dbraw/zinc/87/79/98/262877998.db2.gz JNSQFOBJAMVJEY-UHFFFAOYSA-N 1 2 245.330 1.545 20 0 BDADLO CCCN(CC(N)=O)c1cc[nH+]c2ccncc21 ZINC000488756242 262915301 /nfs/dbraw/zinc/91/53/01/262915301.db2.gz YXUJIQOTBWFHNC-UHFFFAOYSA-N 1 2 244.298 1.332 20 0 BDADLO COCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671711289 487701763 /nfs/dbraw/zinc/70/17/63/487701763.db2.gz YRHQBZRFCDYITD-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671711289 487701769 /nfs/dbraw/zinc/70/17/69/487701769.db2.gz YRHQBZRFCDYITD-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCCO ZINC000671715236 487704764 /nfs/dbraw/zinc/70/47/64/487704764.db2.gz SZSLXZQJFVALJW-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCCO ZINC000671715236 487704768 /nfs/dbraw/zinc/70/47/68/487704768.db2.gz SZSLXZQJFVALJW-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO c1[nH+]c2n(c1CN1CCOC[C@H]1C1CC1)CCC2 ZINC000667667350 487708964 /nfs/dbraw/zinc/70/89/64/487708964.db2.gz KTAJRJQODWMXGD-ZDUSSCGKSA-N 1 2 247.342 1.440 20 0 BDADLO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000671733704 487713372 /nfs/dbraw/zinc/71/33/72/487713372.db2.gz NUTJNIJGCQCOSO-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(F)F ZINC000671733704 487713375 /nfs/dbraw/zinc/71/33/75/487713375.db2.gz NUTJNIJGCQCOSO-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO Cc1oc(C2CC2)nc1C(=O)NCc1c[nH+]c[nH]1 ZINC000671733248 487713487 /nfs/dbraw/zinc/71/34/87/487713487.db2.gz QXEUDYVQQCRSTF-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO Cc1oc(C2CC2)nc1C(=O)NCc1c[nH]c[nH+]1 ZINC000671733248 487713491 /nfs/dbraw/zinc/71/34/91/487713491.db2.gz QXEUDYVQQCRSTF-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668415592 487716914 /nfs/dbraw/zinc/71/69/14/487716914.db2.gz AVBCUIFZXRXDJS-QMMMGPOBSA-N 1 2 219.288 1.183 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668415592 487716920 /nfs/dbraw/zinc/71/69/20/487716920.db2.gz AVBCUIFZXRXDJS-QMMMGPOBSA-N 1 2 219.288 1.183 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631205568 487719757 /nfs/dbraw/zinc/71/97/57/487719757.db2.gz CHWMBPSKLWGYDK-NXEZZACHSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000631205568 487719762 /nfs/dbraw/zinc/71/97/62/487719762.db2.gz CHWMBPSKLWGYDK-NXEZZACHSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)n1cccn1 ZINC000668419702 487722396 /nfs/dbraw/zinc/72/23/96/487722396.db2.gz JRFONAINPYCSNF-UHFFFAOYSA-N 1 2 244.298 1.382 20 0 BDADLO c1nc(NC2CCOCC2)cc(NC2CC2)[nH+]1 ZINC000665693156 487731464 /nfs/dbraw/zinc/73/14/64/487731464.db2.gz GXWVBYMWLWJSET-UHFFFAOYSA-N 1 2 234.303 1.642 20 0 BDADLO c1nc(NC2CC2)cc(NC2CCOCC2)[nH+]1 ZINC000665693156 487731469 /nfs/dbraw/zinc/73/14/69/487731469.db2.gz GXWVBYMWLWJSET-UHFFFAOYSA-N 1 2 234.303 1.642 20 0 BDADLO CCC[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000665690230 487732177 /nfs/dbraw/zinc/73/21/77/487732177.db2.gz MWFISUQQNFRAPR-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO CCC[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000665690230 487732183 /nfs/dbraw/zinc/73/21/83/487732183.db2.gz MWFISUQQNFRAPR-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO c1nc(N2CC[C@@H](C3CC3)C2)c2c([nH+]1)NCCO2 ZINC000665709448 487735719 /nfs/dbraw/zinc/73/57/19/487735719.db2.gz SMVSCGHJIAOCMW-SNVBAGLBSA-N 1 2 246.314 1.517 20 0 BDADLO c1nc2c(c(N3CC[C@@H](C4CC4)C3)[nH+]1)OCCN2 ZINC000665709448 487735723 /nfs/dbraw/zinc/73/57/23/487735723.db2.gz SMVSCGHJIAOCMW-SNVBAGLBSA-N 1 2 246.314 1.517 20 0 BDADLO CO[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000681136237 487735825 /nfs/dbraw/zinc/73/58/25/487735825.db2.gz QKDBPWVPDPGHGU-GFCCVEGCSA-N 1 2 247.298 1.944 20 0 BDADLO CCN(c1cc[nH+]c(C)n1)[C@@H]1CCCOC1 ZINC000651415781 487736523 /nfs/dbraw/zinc/73/65/23/487736523.db2.gz MWHPWPUAKMAJTI-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CCN(CCC1CC1)c1nc[nH+]c2c1OCCN2 ZINC000665711636 487737243 /nfs/dbraw/zinc/73/72/43/487737243.db2.gz YRHVZDGKKUVSOA-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CCN(CCC1CC1)c1[nH+]cnc2c1OCCN2 ZINC000665711636 487737244 /nfs/dbraw/zinc/73/72/44/487737244.db2.gz YRHVZDGKKUVSOA-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CC(C)[C@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681189149 487744304 /nfs/dbraw/zinc/74/43/04/487744304.db2.gz IPBUBUACFJZPCE-ZDUSSCGKSA-N 1 2 247.298 1.680 20 0 BDADLO COCC1(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000675895289 487788934 /nfs/dbraw/zinc/78/89/34/487788934.db2.gz DACLYCYBQJMPTC-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464611 487789456 /nfs/dbraw/zinc/78/94/56/487789456.db2.gz GYSDHDFXZYHWJM-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464611 487789461 /nfs/dbraw/zinc/78/94/61/487789461.db2.gz GYSDHDFXZYHWJM-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@@](C)(C2CC2)C1 ZINC000668464611 487789467 /nfs/dbraw/zinc/78/94/67/487789467.db2.gz GYSDHDFXZYHWJM-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000591136109 487790314 /nfs/dbraw/zinc/79/03/14/487790314.db2.gz HRZHYQUQFMXWMB-WDEREUQCSA-N 1 2 221.304 1.436 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccnn1CC ZINC000681475346 487801162 /nfs/dbraw/zinc/80/11/62/487801162.db2.gz IXCXJWMFKRYLTO-UHFFFAOYSA-N 1 2 244.298 1.535 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875324 487811889 /nfs/dbraw/zinc/81/18/89/487811889.db2.gz NRJZGCVMRNVEPP-SNVBAGLBSA-N 1 2 235.331 1.677 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875324 487811893 /nfs/dbraw/zinc/81/18/93/487811893.db2.gz NRJZGCVMRNVEPP-SNVBAGLBSA-N 1 2 235.331 1.677 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000681553203 487814472 /nfs/dbraw/zinc/81/44/72/487814472.db2.gz LONWUZBWWSZTEF-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO Cn1ccnc1[C@H](N[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000681563188 487816648 /nfs/dbraw/zinc/81/66/48/487816648.db2.gz NORIXSDTAVSIOR-QWHCGFSZSA-N 1 2 248.374 1.555 20 0 BDADLO Cn1ccnc1[C@H](N[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000681563188 487816652 /nfs/dbraw/zinc/81/66/52/487816652.db2.gz NORIXSDTAVSIOR-QWHCGFSZSA-N 1 2 248.374 1.555 20 0 BDADLO Cn1cc(C[NH+]2CC(C(F)F)C2)cn1 ZINC000676222163 487823081 /nfs/dbraw/zinc/82/30/81/487823081.db2.gz AVVGDNKNBQRJOH-UHFFFAOYSA-N 1 2 201.220 1.117 20 0 BDADLO COCC[N@H+](CCF)Cc1scnc1C ZINC000785992456 585884631 /nfs/dbraw/zinc/88/46/31/585884631.db2.gz OAXXPBPFMYDURO-UHFFFAOYSA-N 1 2 232.324 1.869 20 0 BDADLO COCC[N@@H+](CCF)Cc1scnc1C ZINC000785992456 585884632 /nfs/dbraw/zinc/88/46/32/585884632.db2.gz OAXXPBPFMYDURO-UHFFFAOYSA-N 1 2 232.324 1.869 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1coc(C2CC2)n1 ZINC000681634121 487826201 /nfs/dbraw/zinc/82/62/01/487826201.db2.gz VOMXKKBPNRWRLG-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802238468 586298682 /nfs/dbraw/zinc/29/86/82/586298682.db2.gz FHGGFBPBRUGZKT-VIFPVBQESA-N 1 2 203.257 1.229 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668086234 487830125 /nfs/dbraw/zinc/83/01/25/487830125.db2.gz DLFXLOZPNRAMPL-IJLUTSLNSA-N 1 2 247.342 1.925 20 0 BDADLO CC[C@@H](C)C[NH2+][C@H](CC(F)F)C(=O)OC ZINC000336744131 487830438 /nfs/dbraw/zinc/83/04/38/487830438.db2.gz YYWCEFFFLXKEKJ-HTQZYQBOSA-N 1 2 223.263 1.819 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000681653137 487830928 /nfs/dbraw/zinc/83/09/28/487830928.db2.gz ZARQXZRZBHAZQG-QWRGUYRKSA-N 1 2 248.330 1.504 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668090831 487834573 /nfs/dbraw/zinc/83/45/73/487834573.db2.gz UBQCPZDOEOQNRZ-AOOOYVTPSA-N 1 2 220.320 1.986 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668090831 487834581 /nfs/dbraw/zinc/83/45/81/487834581.db2.gz UBQCPZDOEOQNRZ-AOOOYVTPSA-N 1 2 220.320 1.986 20 0 BDADLO CCc1cc(NCc2cc(C(N)=O)co2)nc[nH+]1 ZINC000681672845 487835859 /nfs/dbraw/zinc/83/58/59/487835859.db2.gz PDXJPTBWFDYIEQ-UHFFFAOYSA-N 1 2 246.270 1.343 20 0 BDADLO COc1nc(C)cc(C)c1C[NH2+]Cc1ncc[nH]1 ZINC000066593723 487837684 /nfs/dbraw/zinc/83/76/84/487837684.db2.gz SNCIRDFZZKPXOD-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO CCC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000487320731 528994920 /nfs/dbraw/zinc/99/49/20/528994920.db2.gz KJFHQOBJAOZNKM-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000487320731 528994934 /nfs/dbraw/zinc/99/49/34/528994934.db2.gz KJFHQOBJAOZNKM-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CSCCCCNC(=O)Cc1c[nH+]cn1C ZINC000558554225 322951955 /nfs/dbraw/zinc/95/19/55/322951955.db2.gz HJGVMTBOJTZVHX-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000558592971 322952228 /nfs/dbraw/zinc/95/22/28/322952228.db2.gz MHEYVHBHPPSIAI-RKDXNWHRSA-N 1 2 228.299 1.532 20 0 BDADLO CCN(C[C@@H]1CCOC1)c1cc(C)[nH+]cn1 ZINC000676491634 487855607 /nfs/dbraw/zinc/85/56/07/487855607.db2.gz HPDDYGNPFHUSOW-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CC=C(C)CC2)[nH]1 ZINC000668506522 487862604 /nfs/dbraw/zinc/86/26/04/487862604.db2.gz CCKHYJOWIHLZPM-SNVBAGLBSA-N 1 2 236.319 1.540 20 0 BDADLO CO[C@@H](C[NH+]1CCS(=O)CC1)C1CCCC1 ZINC000595315749 487864060 /nfs/dbraw/zinc/86/40/60/487864060.db2.gz SIITWRDOMROUJH-LBPRGKRZSA-N 1 2 245.388 1.256 20 0 BDADLO O[C@H]1CC[N@H+](CCCOC(F)(F)F)C[C@H]1F ZINC000934567751 641201741 /nfs/dbraw/zinc/20/17/41/641201741.db2.gz RMVIHEVUEZIYRO-SFYZADRCSA-N 1 2 245.216 1.318 20 0 BDADLO O[C@H]1CC[N@@H+](CCCOC(F)(F)F)C[C@H]1F ZINC000934567751 641201756 /nfs/dbraw/zinc/20/17/56/641201756.db2.gz RMVIHEVUEZIYRO-SFYZADRCSA-N 1 2 245.216 1.318 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2CC2(Cl)Cl)C[C@@H]1F ZINC000934579538 641207304 /nfs/dbraw/zinc/20/73/04/641207304.db2.gz BVVDKABDTQKJKV-BIIVOSGPSA-N 1 2 242.121 1.585 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C[C@@H]1F ZINC000934579538 641207310 /nfs/dbraw/zinc/20/73/10/641207310.db2.gz BVVDKABDTQKJKV-BIIVOSGPSA-N 1 2 242.121 1.585 20 0 BDADLO C[C@@H](C[N@@H+]1CCn2c(n[nH]c2=O)C1)C(C)(C)C ZINC000670269130 487880364 /nfs/dbraw/zinc/88/03/64/487880364.db2.gz URCXEUJVEHDEFQ-VIFPVBQESA-N 1 2 238.335 1.482 20 0 BDADLO C[C@@H](C[N@H+]1CCn2c(n[nH]c2=O)C1)C(C)(C)C ZINC000670269130 487880369 /nfs/dbraw/zinc/88/03/69/487880369.db2.gz URCXEUJVEHDEFQ-VIFPVBQESA-N 1 2 238.335 1.482 20 0 BDADLO C[C@@H](C[N@@H+]1CCN2C(=O)N=NC2C1)C(C)(C)C ZINC000670269130 487880375 /nfs/dbraw/zinc/88/03/75/487880375.db2.gz URCXEUJVEHDEFQ-VIFPVBQESA-N 1 2 238.335 1.482 20 0 BDADLO C[C@@H](C[N@H+]1CCN2C(=O)N=NC2C1)C(C)(C)C ZINC000670269130 487880377 /nfs/dbraw/zinc/88/03/77/487880377.db2.gz URCXEUJVEHDEFQ-VIFPVBQESA-N 1 2 238.335 1.482 20 0 BDADLO C[C@@H](NC(=O)Nc1ccncn1)c1[nH+]ccn1C ZINC000666793926 487881064 /nfs/dbraw/zinc/88/10/64/487881064.db2.gz DGGZNEILTJKYGK-MRVPVSSYSA-N 1 2 246.274 1.093 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652758162 487892171 /nfs/dbraw/zinc/89/21/71/487892171.db2.gz KQBKZSRJTQMUNO-CMPLNLGQSA-N 1 2 249.358 1.904 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000676686535 487892356 /nfs/dbraw/zinc/89/23/56/487892356.db2.gz PFSHCOOTMIFQGP-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cnc(C[N@H+]2CCCOC[C@@H]2C)o1 ZINC000676711684 487899518 /nfs/dbraw/zinc/89/95/18/487899518.db2.gz UWTIJDQZKOIBBO-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCOC[C@@H]2C)o1 ZINC000676711684 487899520 /nfs/dbraw/zinc/89/95/20/487899520.db2.gz UWTIJDQZKOIBBO-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000668536490 487900447 /nfs/dbraw/zinc/90/04/47/487900447.db2.gz UWJORRDCBNUFOU-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000676718835 487905084 /nfs/dbraw/zinc/90/50/84/487905084.db2.gz DSVZEBVWODNKMC-VHSXEESVSA-N 1 2 219.275 2.000 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000676718835 487905087 /nfs/dbraw/zinc/90/50/87/487905087.db2.gz DSVZEBVWODNKMC-VHSXEESVSA-N 1 2 219.275 2.000 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)[C@@H](C)[C@@H](C)O1 ZINC000682091063 487908873 /nfs/dbraw/zinc/90/88/73/487908873.db2.gz FFSISNNCAZHXHS-KXUCPTDWSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)[C@@H](C)[C@@H](C)O1 ZINC000682091063 487908876 /nfs/dbraw/zinc/90/88/76/487908876.db2.gz FFSISNNCAZHXHS-KXUCPTDWSA-N 1 2 210.277 1.672 20 0 BDADLO FC(F)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671254159 487911062 /nfs/dbraw/zinc/91/10/62/487911062.db2.gz SKCZINUCZVJDOQ-JTQLQIEISA-N 1 2 205.248 1.754 20 0 BDADLO FC(F)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000671254159 487911069 /nfs/dbraw/zinc/91/10/69/487911069.db2.gz SKCZINUCZVJDOQ-JTQLQIEISA-N 1 2 205.248 1.754 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669043233 487913688 /nfs/dbraw/zinc/91/36/88/487913688.db2.gz UOMXWJZEZOYPAB-QWRGUYRKSA-N 1 2 249.358 1.923 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669043233 487913693 /nfs/dbraw/zinc/91/36/93/487913693.db2.gz UOMXWJZEZOYPAB-QWRGUYRKSA-N 1 2 249.358 1.923 20 0 BDADLO CC(C)(C)n1nnc(C[NH+]2CCCCCC2)n1 ZINC000653489922 487916366 /nfs/dbraw/zinc/91/63/66/487916366.db2.gz LHJUOIADHVHHIT-UHFFFAOYSA-N 1 2 237.351 1.804 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1c(Cl)cnn1C ZINC000682155869 487917512 /nfs/dbraw/zinc/91/75/12/487917512.db2.gz FLEXBLZIGYLHNQ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1c(Cl)cnn1C ZINC000682155869 487917515 /nfs/dbraw/zinc/91/75/15/487917515.db2.gz FLEXBLZIGYLHNQ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCC1=CCCC1 ZINC000666958338 487917848 /nfs/dbraw/zinc/91/78/48/487917848.db2.gz XHOIQFLWNBYJLK-UHFFFAOYSA-N 1 2 248.330 1.672 20 0 BDADLO Cc1cc(N2CCc3ncccc3C2)nc[nH+]1 ZINC000676766787 487923678 /nfs/dbraw/zinc/92/36/78/487923678.db2.gz KDEPBAMMNGTALM-UHFFFAOYSA-N 1 2 226.283 1.743 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792357 487928578 /nfs/dbraw/zinc/92/85/78/487928578.db2.gz MYIDIHDGLLWOGZ-UHFFFAOYSA-N 1 2 237.347 1.831 20 0 BDADLO CC(C)CCOCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676792357 487928581 /nfs/dbraw/zinc/92/85/81/487928581.db2.gz MYIDIHDGLLWOGZ-UHFFFAOYSA-N 1 2 237.347 1.831 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792357 487928588 /nfs/dbraw/zinc/92/85/88/487928588.db2.gz MYIDIHDGLLWOGZ-UHFFFAOYSA-N 1 2 237.347 1.831 20 0 BDADLO CC(C)CCOCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676792357 487928592 /nfs/dbraw/zinc/92/85/92/487928592.db2.gz MYIDIHDGLLWOGZ-UHFFFAOYSA-N 1 2 237.347 1.831 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676795767 487932172 /nfs/dbraw/zinc/93/21/72/487932172.db2.gz OUTKWITXZOIUDL-UHFFFAOYSA-N 1 2 245.330 1.318 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCc2cn[nH]c2C1 ZINC000676795767 487932175 /nfs/dbraw/zinc/93/21/75/487932175.db2.gz OUTKWITXZOIUDL-UHFFFAOYSA-N 1 2 245.330 1.318 20 0 BDADLO Cc1cc(C)c(NC(=O)NC/C=C\CO)c(C)[nH+]1 ZINC000667119172 487941445 /nfs/dbraw/zinc/94/14/45/487941445.db2.gz KXRJHWOQEAPRMF-PLNGDYQASA-N 1 2 249.314 1.677 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000676885808 487942080 /nfs/dbraw/zinc/94/20/80/487942080.db2.gz XYOJUEDRMNLFRK-JOYOIKCWSA-N 1 2 248.330 1.454 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000682419621 487953435 /nfs/dbraw/zinc/95/34/35/487953435.db2.gz IDNWDQKBYWTDGH-DGCLKSJQSA-N 1 2 248.326 1.580 20 0 BDADLO Cc1nc(C(=O)NCCCCn2cc[nH+]c2)co1 ZINC000669946363 487954372 /nfs/dbraw/zinc/95/43/72/487954372.db2.gz SLPVPZLBGYQSFN-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO O=C(COCC1CCCC1)NCc1[nH]cc[nH+]1 ZINC000560443646 322987194 /nfs/dbraw/zinc/98/71/94/322987194.db2.gz UHSDJEZGQRKOOJ-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO CS[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560698458 322991577 /nfs/dbraw/zinc/99/15/77/322991577.db2.gz LGWROPZLXIQOOY-RNFRBKRXSA-N 1 2 213.306 1.338 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000520956447 323000196 /nfs/dbraw/zinc/00/01/96/323000196.db2.gz BIZKZLKGWRKKPJ-GHMZBOCLSA-N 1 2 235.331 1.920 20 0 BDADLO CO[C@@H](CNc1nc(C)[nH+]cc1C)C1CC1 ZINC000566481073 323001156 /nfs/dbraw/zinc/00/11/56/323001156.db2.gz FHKHGUHQYRWABL-NSHDSACASA-N 1 2 221.304 1.352 20 0 BDADLO CO[C@H](C)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000561408599 323001310 /nfs/dbraw/zinc/00/13/10/323001310.db2.gz PSVMAZHCJSPZNE-SECBINFHSA-N 1 2 246.314 1.513 20 0 BDADLO C[C@H]1CCC[C@H](C)C1NC(=O)Cc1c[nH+]cn1C ZINC000561502975 323003044 /nfs/dbraw/zinc/00/30/44/323003044.db2.gz DOLNTQSQMMCYDN-QWRGUYRKSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cc(NC(=O)N2CC(C)C2)c(C)c[nH+]1 ZINC000562251947 323013993 /nfs/dbraw/zinc/01/39/93/323013993.db2.gz NLTPTUNPWFQEHH-UHFFFAOYSA-N 1 2 219.288 1.604 20 0 BDADLO C[C@@H]1CCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000562279403 323014721 /nfs/dbraw/zinc/01/47/21/323014721.db2.gz MIMRMRIXVRQRKF-LLVKDONJSA-N 1 2 221.304 1.532 20 0 BDADLO CC(C)Oc1cncc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000562355340 323017441 /nfs/dbraw/zinc/01/74/41/323017441.db2.gz ACNKGYBFKRLDEK-UHFFFAOYSA-N 1 2 247.302 1.623 20 0 BDADLO CC1(C)CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000562853622 323032156 /nfs/dbraw/zinc/03/21/56/323032156.db2.gz VYRLKCXBFMQWRH-UHFFFAOYSA-N 1 2 233.315 1.703 20 0 BDADLO CCO[C@H]1C[C@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000562939817 323034296 /nfs/dbraw/zinc/03/42/96/323034296.db2.gz PKQIINOLGCYLBX-SCZZXKLOSA-N 1 2 243.738 1.649 20 0 BDADLO CN(C)C(=O)CCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000569863777 323042979 /nfs/dbraw/zinc/04/29/79/323042979.db2.gz QHXBSSGGOJPCIY-SNVBAGLBSA-N 1 2 248.317 1.974 20 0 BDADLO CN(C)C(=O)CCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000569863777 323042980 /nfs/dbraw/zinc/04/29/80/323042980.db2.gz QHXBSSGGOJPCIY-SNVBAGLBSA-N 1 2 248.317 1.974 20 0 BDADLO CN(C)C(=O)CCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000569863775 323043006 /nfs/dbraw/zinc/04/30/06/323043006.db2.gz QHXBSSGGOJPCIY-JTQLQIEISA-N 1 2 248.317 1.974 20 0 BDADLO CN(C)C(=O)CCC[N@H+]1CCCC[C@H]1C(F)F ZINC000569863775 323043007 /nfs/dbraw/zinc/04/30/07/323043007.db2.gz QHXBSSGGOJPCIY-JTQLQIEISA-N 1 2 248.317 1.974 20 0 BDADLO CCC(C)(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569937365 323044788 /nfs/dbraw/zinc/04/47/88/323044788.db2.gz QNDJYDUKKRHCKY-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO C/C=C/C=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153762039 323053433 /nfs/dbraw/zinc/05/34/33/323053433.db2.gz OCOPGRPIHCUABU-KANVGOIPSA-N 1 2 233.315 1.768 20 0 BDADLO CC[C@@H](C)CS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000570292943 323055567 /nfs/dbraw/zinc/05/55/67/323055567.db2.gz FTDVAOUNMWHQRD-SECBINFHSA-N 1 2 245.348 1.217 20 0 BDADLO CC[C@@H](C)CS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000570292943 323055568 /nfs/dbraw/zinc/05/55/68/323055568.db2.gz FTDVAOUNMWHQRD-SECBINFHSA-N 1 2 245.348 1.217 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnccn1 ZINC000570495226 323061066 /nfs/dbraw/zinc/06/10/66/323061066.db2.gz FKPPMLMQPVOIAG-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnccn1 ZINC000570495226 323061067 /nfs/dbraw/zinc/06/10/67/323061067.db2.gz FKPPMLMQPVOIAG-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC1=O ZINC000570526534 323062163 /nfs/dbraw/zinc/06/21/63/323062163.db2.gz LDUUBQYLYBCLHS-NXEZZACHSA-N 1 2 249.314 1.074 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC1=O ZINC000570526534 323062164 /nfs/dbraw/zinc/06/21/64/323062164.db2.gz LDUUBQYLYBCLHS-NXEZZACHSA-N 1 2 249.314 1.074 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3nncc3C2)cc1C ZINC000570580035 323063766 /nfs/dbraw/zinc/06/37/66/323063766.db2.gz JWABAJYMUYRDQK-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3nncc3C2)cc1C ZINC000570580035 323063767 /nfs/dbraw/zinc/06/37/67/323063767.db2.gz JWABAJYMUYRDQK-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1ncc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)s1 ZINC000570581975 323063861 /nfs/dbraw/zinc/06/38/61/323063861.db2.gz NOOCZODIHDBHHT-MRVPVSSYSA-N 1 2 239.344 1.730 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCOCC1CC1 ZINC000570622393 323064754 /nfs/dbraw/zinc/06/47/54/323064754.db2.gz IJBIOQAVARLODL-UHFFFAOYSA-N 1 2 235.331 1.744 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCC[C@@H](O)C1 ZINC000570739322 323069105 /nfs/dbraw/zinc/06/91/05/323069105.db2.gz NWHVFETXITYLHY-NWDGAFQWSA-N 1 2 235.331 1.478 20 0 BDADLO CCOC1(C)CN(Cc2[nH+]ccn2CC)C1 ZINC000570801618 323070811 /nfs/dbraw/zinc/07/08/11/323070811.db2.gz UXNJDKIHLQEKJR-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO c1nn[nH]c1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528658382 323075267 /nfs/dbraw/zinc/07/52/67/323075267.db2.gz MNMGBXKQAHKFIH-CYBMUJFWSA-N 1 2 243.314 1.831 20 0 BDADLO CC(C)(C)C[NH2+]CC(=O)OC(C)(C)C ZINC000040493460 323079718 /nfs/dbraw/zinc/07/97/18/323079718.db2.gz AKIXKBYAIPJCBW-UHFFFAOYSA-N 1 2 201.310 1.964 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000228647512 323087167 /nfs/dbraw/zinc/08/71/67/323087167.db2.gz YEIODHDOJYPEOD-UHFFFAOYSA-N 1 2 240.253 1.885 20 0 BDADLO CC(C)c1nc(NCCN2CCCC2=O)cc[nH+]1 ZINC000563245444 323106659 /nfs/dbraw/zinc/10/66/59/323106659.db2.gz PRWIVKGXDGPVQF-UHFFFAOYSA-N 1 2 248.330 1.056 20 0 BDADLO CC[C@H](CO)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563285882 323108586 /nfs/dbraw/zinc/10/85/86/323108586.db2.gz ZYVFSRGBNVQNRT-GHMZBOCLSA-N 1 2 239.319 1.064 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NC1(C2CC2)CC1 ZINC000531626637 323110656 /nfs/dbraw/zinc/11/06/56/323110656.db2.gz CEXPPBDYBJBSHN-UHFFFAOYSA-N 1 2 248.330 1.515 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531812841 323114603 /nfs/dbraw/zinc/11/46/03/323114603.db2.gz NWMCJRSFHUWJDD-WCQYABFASA-N 1 2 233.315 1.703 20 0 BDADLO Cc1cc(NC(=O)c2ccccn2)c(C)c[nH+]1 ZINC000534300379 323115809 /nfs/dbraw/zinc/11/58/09/323115809.db2.gz XNHSESVWJYNTQO-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO Cc1cc(NC(=O)c2ccncc2F)c(C)c[nH+]1 ZINC000534300307 323115884 /nfs/dbraw/zinc/11/58/84/323115884.db2.gz YHLIYGOYOKIEHC-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CC[C@@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000563366606 323121434 /nfs/dbraw/zinc/12/14/34/323121434.db2.gz JCWBFSRDGJPDHN-LLVKDONJSA-N 1 2 234.299 1.212 20 0 BDADLO CC[C@@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000563366606 323121435 /nfs/dbraw/zinc/12/14/35/323121435.db2.gz JCWBFSRDGJPDHN-LLVKDONJSA-N 1 2 234.299 1.212 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCCCC1CC1 ZINC000563419940 323124006 /nfs/dbraw/zinc/12/40/06/323124006.db2.gz FPVCPDQGMPZNSP-UHFFFAOYSA-N 1 2 246.318 1.378 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCOC1 ZINC000563424715 323126038 /nfs/dbraw/zinc/12/60/38/323126038.db2.gz LOOIHTUEHCZAEH-SNVBAGLBSA-N 1 2 207.277 1.684 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(CCO)[C@@H](C)C2)o1 ZINC000249883815 323140232 /nfs/dbraw/zinc/14/02/32/323140232.db2.gz HXPZRIIEKZVLGH-NSHDSACASA-N 1 2 238.331 1.086 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(CCO)[C@@H](C)C2)o1 ZINC000249883815 323140233 /nfs/dbraw/zinc/14/02/33/323140233.db2.gz HXPZRIIEKZVLGH-NSHDSACASA-N 1 2 238.331 1.086 20 0 BDADLO Cc1nc([C@](C)(NCc2c[nH+]c[nH]2)C2CC2)no1 ZINC000571360867 323142774 /nfs/dbraw/zinc/14/27/74/323142774.db2.gz VTDUMPIRCSKDNW-GFCCVEGCSA-N 1 2 247.302 1.516 20 0 BDADLO Cc1nc([C@](C)(NCc2c[nH]c[nH+]2)C2CC2)no1 ZINC000571360867 323142775 /nfs/dbraw/zinc/14/27/75/323142775.db2.gz VTDUMPIRCSKDNW-GFCCVEGCSA-N 1 2 247.302 1.516 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)[C@@H]1SC ZINC000571522751 323146831 /nfs/dbraw/zinc/14/68/31/323146831.db2.gz QALQCPIFHXEFIS-MXWKQRLJSA-N 1 2 241.360 1.408 20 0 BDADLO CSCC(=O)Nc1cc(C)[nH+]cc1C ZINC000535034887 323164142 /nfs/dbraw/zinc/16/41/42/323164142.db2.gz DOQZDVMGDZUYCH-UHFFFAOYSA-N 1 2 210.302 1.422 20 0 BDADLO Cc1cc(NC(=O)/C=C/c2ccnn2C)cc[nH+]1 ZINC000112298300 323168835 /nfs/dbraw/zinc/16/88/35/323168835.db2.gz MKVPOMSOXMMKLK-ONEGZZNKSA-N 1 2 242.282 1.775 20 0 BDADLO Cc1cc(N2CC(n3cc[nH+]c3)C2)ncn1 ZINC000532087986 323173435 /nfs/dbraw/zinc/17/34/35/323173435.db2.gz QWFGFFPSGHFOEA-UHFFFAOYSA-N 1 2 215.260 1.043 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1CCCC1 ZINC000563744560 323176831 /nfs/dbraw/zinc/17/68/31/323176831.db2.gz RDGUEVFFXNMWDP-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCC12CC2 ZINC000529520323 323182361 /nfs/dbraw/zinc/18/23/61/323182361.db2.gz OZHOJSRHCLDNQO-NSHDSACASA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCC12CC2 ZINC000529520323 323182362 /nfs/dbraw/zinc/18/23/62/323182362.db2.gz OZHOJSRHCLDNQO-NSHDSACASA-N 1 2 233.315 1.948 20 0 BDADLO c1cn([C@H]2CCC[N@@H+](Cc3cocn3)C2)nn1 ZINC000563884724 323183336 /nfs/dbraw/zinc/18/33/36/323183336.db2.gz YGJPNBCDHGUPCU-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO c1cn([C@H]2CCC[N@H+](Cc3cocn3)C2)nn1 ZINC000563884724 323183337 /nfs/dbraw/zinc/18/33/37/323183337.db2.gz YGJPNBCDHGUPCU-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO Cc1nc(N2C3CCC2CC3)nc(N(C)C)[nH+]1 ZINC000532269441 323211432 /nfs/dbraw/zinc/21/14/32/323211432.db2.gz IGVCELLJTCWFPQ-UHFFFAOYSA-N 1 2 233.319 1.377 20 0 BDADLO Cc1nc(N(C)C)nc(N2C3CCC2CC3)[nH+]1 ZINC000532269441 323211434 /nfs/dbraw/zinc/21/14/34/323211434.db2.gz IGVCELLJTCWFPQ-UHFFFAOYSA-N 1 2 233.319 1.377 20 0 BDADLO Cc1ccc(CC(=O)NCCn2cc[nH+]c2)cc1 ZINC000041904551 323214358 /nfs/dbraw/zinc/21/43/58/323214358.db2.gz AULPOLBBKRGRRW-UHFFFAOYSA-N 1 2 243.310 1.550 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245360 323245117 /nfs/dbraw/zinc/24/51/17/323245117.db2.gz QYFSZBVTJYCGGO-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc3nccn32)no1 ZINC000532534339 323274117 /nfs/dbraw/zinc/27/41/17/323274117.db2.gz JMFLONNHAKVTEA-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532732328 323291599 /nfs/dbraw/zinc/29/15/99/323291599.db2.gz WAPQOLRZOSBKRI-JTQLQIEISA-N 1 2 249.310 1.702 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000532732328 323291601 /nfs/dbraw/zinc/29/16/01/323291601.db2.gz WAPQOLRZOSBKRI-JTQLQIEISA-N 1 2 249.310 1.702 20 0 BDADLO Cc1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000532803524 323299376 /nfs/dbraw/zinc/29/93/76/323299376.db2.gz MXPQATVYBQVFQD-UHFFFAOYSA-N 1 2 245.282 1.411 20 0 BDADLO Cc1nnsc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000563959236 323331471 /nfs/dbraw/zinc/33/14/71/323331471.db2.gz GPZXGTOEZBZCGW-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000563959237 323331746 /nfs/dbraw/zinc/33/17/46/323331746.db2.gz GPZXGTOEZBZCGW-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO COC[C@H]([NH2+]Cc1noc(C)n1)C(C)C ZINC000230627774 323375208 /nfs/dbraw/zinc/37/52/08/323375208.db2.gz MYSCOSUNLNXSLK-VIFPVBQESA-N 1 2 213.281 1.139 20 0 BDADLO COC[C@@H]([NH2+]Cc1noc(C)n1)C(C)C ZINC000230627766 323374846 /nfs/dbraw/zinc/37/48/46/323374846.db2.gz MYSCOSUNLNXSLK-SECBINFHSA-N 1 2 213.281 1.139 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1snnc1C ZINC000309671342 323445536 /nfs/dbraw/zinc/44/55/36/323445536.db2.gz WBMCRCFDCBDBHN-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000667212721 487958767 /nfs/dbraw/zinc/95/87/67/487958767.db2.gz YGEBSHKRWIABTP-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162585737 323629149 /nfs/dbraw/zinc/62/91/49/323629149.db2.gz OYJXHCVVYJBPAH-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO O=C(CC1CCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145841 487959760 /nfs/dbraw/zinc/95/97/60/487959760.db2.gz SYTWGVBYEITZEH-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO C[C@H](NC(=O)N1[C@H](C)C[C@@H]1C)c1[nH+]ccn1C ZINC000667249869 487962205 /nfs/dbraw/zinc/96/22/05/487962205.db2.gz BCZMECKBXYMWQT-AEJSXWLSSA-N 1 2 236.319 1.673 20 0 BDADLO C/C=C/C=C/C(=O)N(C)Cc1[nH+]ccn1C ZINC000123232455 324101577 /nfs/dbraw/zinc/10/15/77/324101577.db2.gz PDBKVSDDEJNVSO-YTXTXJHMSA-N 1 2 219.288 1.511 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000572485895 324126921 /nfs/dbraw/zinc/12/69/21/324126921.db2.gz GCVNLGLGRFEFGC-YFKTTZPYSA-N 1 2 245.326 1.360 20 0 BDADLO O=C([C@H]1CCCC12CC2)N1CCc2[nH]c[nH+]c2C1 ZINC000529401741 324286966 /nfs/dbraw/zinc/28/69/66/324286966.db2.gz FETUVTUBHSOGKD-SNVBAGLBSA-N 1 2 245.326 1.875 20 0 BDADLO O=C([C@H]1CCCC12CC2)N1CCc2[nH+]c[nH]c2C1 ZINC000529401741 324286971 /nfs/dbraw/zinc/28/69/71/324286971.db2.gz FETUVTUBHSOGKD-SNVBAGLBSA-N 1 2 245.326 1.875 20 0 BDADLO Fc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)nc1 ZINC000529586305 324353599 /nfs/dbraw/zinc/35/35/99/324353599.db2.gz BEEKVEJYCXZUTB-UHFFFAOYSA-N 1 2 247.277 1.506 20 0 BDADLO C[C@H]1C[C@H](C)[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653558703 487964518 /nfs/dbraw/zinc/96/45/18/487964518.db2.gz PTFPQZWSEXBETO-UWVGGRQHSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@H]1C[C@H](C)[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653558703 487964519 /nfs/dbraw/zinc/96/45/19/487964519.db2.gz PTFPQZWSEXBETO-UWVGGRQHSA-N 1 2 237.351 1.658 20 0 BDADLO CCCN(C)c1[nH+]cnc2c1cnn2C ZINC000063737479 324622826 /nfs/dbraw/zinc/62/28/26/324622826.db2.gz GYRQAOMZLHZCGR-UHFFFAOYSA-N 1 2 205.265 1.210 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc[nH]n2)c(C(C)(C)C)n1 ZINC000126537948 324703146 /nfs/dbraw/zinc/70/31/46/324703146.db2.gz BLSXUAWPSRRMPU-UHFFFAOYSA-N 1 2 247.346 1.731 20 0 BDADLO CC[C@@H](SC)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000127927295 324795590 /nfs/dbraw/zinc/79/55/90/324795590.db2.gz MSHBLNGWUFPVEX-LLVKDONJSA-N 1 2 242.388 1.435 20 0 BDADLO CSC[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000541552367 324964010 /nfs/dbraw/zinc/96/40/10/324964010.db2.gz HLKNCDMPJXTYFG-SECBINFHSA-N 1 2 241.360 1.078 20 0 BDADLO COC[C@H]([NH2+]Cc1noc(C(C)C)n1)C(C)C ZINC000541594213 324967437 /nfs/dbraw/zinc/96/74/37/324967437.db2.gz USJFFRRUXNNWTR-JTQLQIEISA-N 1 2 241.335 1.954 20 0 BDADLO Cc1nc(NC(C)(C)CO)c2c([nH+]1)CCCC2 ZINC000542949228 325065018 /nfs/dbraw/zinc/06/50/18/325065018.db2.gz NZZUKTXMKLIXHN-UHFFFAOYSA-N 1 2 235.331 1.847 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1cccc(O)c1 ZINC000543841289 325116941 /nfs/dbraw/zinc/11/69/41/325116941.db2.gz IVWPDGGWOMXWKY-ZDUSSCGKSA-N 1 2 249.310 1.776 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1cccc(O)c1 ZINC000543841289 325116946 /nfs/dbraw/zinc/11/69/46/325116946.db2.gz IVWPDGGWOMXWKY-ZDUSSCGKSA-N 1 2 249.310 1.776 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132163537 325202784 /nfs/dbraw/zinc/20/27/84/325202784.db2.gz QZCJZXMDBLGYQJ-WZRBSPASSA-N 1 2 247.342 1.750 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1csnn1 ZINC000132856333 325249270 /nfs/dbraw/zinc/24/92/70/325249270.db2.gz PLKNRUQSCWGOHP-UHFFFAOYSA-N 1 2 236.256 1.194 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@]2(C)CO)no1 ZINC000546104149 325265381 /nfs/dbraw/zinc/26/53/81/325265381.db2.gz HNEQMDRZGMGSBX-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@]2(C)CO)no1 ZINC000546104149 325265384 /nfs/dbraw/zinc/26/53/84/325265384.db2.gz HNEQMDRZGMGSBX-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO C[C@@H]1OCC[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000546550394 325287115 /nfs/dbraw/zinc/28/71/15/325287115.db2.gz FMZUFZODFZWRMO-WPRPVWTQSA-N 1 2 248.286 1.286 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(COCC2CC2)n1 ZINC000546555624 325287376 /nfs/dbraw/zinc/28/73/76/325287376.db2.gz MBYFXEAWNNMCEH-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2CC=CC2)n1 ZINC000547245625 325333597 /nfs/dbraw/zinc/33/35/97/325333597.db2.gz POLSXVJPIYVHIF-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO Cc1c(N[C@@H](C)c2[nH+]ccn2C)cnn1C ZINC000134386518 325356500 /nfs/dbraw/zinc/35/65/00/325356500.db2.gz VCLXODWGEHPQRE-QMMMGPOBSA-N 1 2 219.292 1.635 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)c(O)c1 ZINC000134497842 325361358 /nfs/dbraw/zinc/36/13/58/325361358.db2.gz JIVISKNVSLSFNG-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO CCc1nc(C(=O)N2CC(n3cc[nH+]c3)C2)co1 ZINC000547800983 325399962 /nfs/dbraw/zinc/39/99/62/325399962.db2.gz HXTHRWGGPNFCOO-UHFFFAOYSA-N 1 2 246.270 1.131 20 0 BDADLO CC[C@@H](NC(=O)c1ccnnc1C)c1[nH]cc[nH+]1 ZINC000548078011 325426709 /nfs/dbraw/zinc/42/67/09/325426709.db2.gz IDRHXCOZFFIRHN-SNVBAGLBSA-N 1 2 245.286 1.389 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548128750 325433233 /nfs/dbraw/zinc/43/32/33/325433233.db2.gz UHUJQFBBAOURPD-RYUDHWBXSA-N 1 2 233.315 1.559 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548191965 325440375 /nfs/dbraw/zinc/44/03/75/325440375.db2.gz SEFHIDWJZRCMOG-QWRGUYRKSA-N 1 2 235.331 1.467 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548501299 325464822 /nfs/dbraw/zinc/46/48/22/325464822.db2.gz OPUXSCANDCCXOQ-TZMCWYRMSA-N 1 2 247.342 1.949 20 0 BDADLO COc1ccc[nH+]c1NCCC(=O)NC(C)C ZINC000122121507 487968415 /nfs/dbraw/zinc/96/84/15/487968415.db2.gz CWJOIMZFIKHBJZ-UHFFFAOYSA-N 1 2 237.303 1.417 20 0 BDADLO Cc1nc(N)c(CNC(=O)CCC2CC2)c[nH+]1 ZINC000552018644 325586967 /nfs/dbraw/zinc/58/69/67/325586967.db2.gz OJJFNBAIJUDNQF-UHFFFAOYSA-N 1 2 234.303 1.004 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC12CCCCC2 ZINC000552353323 325624068 /nfs/dbraw/zinc/62/40/68/325624068.db2.gz LLOBNVBLSWADGF-LLVKDONJSA-N 1 2 233.315 1.722 20 0 BDADLO Cc1cccc(CCCNc2cccnn2)[nH+]1 ZINC000553241868 325682745 /nfs/dbraw/zinc/68/27/45/325682745.db2.gz XXNOJCYFFFCBNG-UHFFFAOYSA-N 1 2 228.299 1.647 20 0 BDADLO CCc1nn(C)cc1C(=O)Nc1cc[nH+]cc1C ZINC000092439496 325710878 /nfs/dbraw/zinc/71/08/78/325710878.db2.gz KZMIVGHHVWBUPW-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO C[C@@H](CC(=O)NCCC(F)(F)F)n1cc[nH+]c1 ZINC000565049944 325851859 /nfs/dbraw/zinc/85/18/59/325851859.db2.gz VUVYPNFPFKMOEC-QMMMGPOBSA-N 1 2 249.236 1.903 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000672147279 487970746 /nfs/dbraw/zinc/97/07/46/487970746.db2.gz JNTFZZSQFBNBRD-WDEREUQCSA-N 1 2 249.358 1.996 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682489200 487971140 /nfs/dbraw/zinc/97/11/40/487971140.db2.gz LJGKVDRKIKLRGN-NSHDSACASA-N 1 2 249.358 1.950 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000566308790 326032144 /nfs/dbraw/zinc/03/21/44/326032144.db2.gz UTIQUESFTDFKLD-VHSXEESVSA-N 1 2 221.304 1.749 20 0 BDADLO CC[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418931 326043513 /nfs/dbraw/zinc/04/35/13/326043513.db2.gz LJDPZHHAPJAFHA-CBAPKCEASA-N 1 2 213.281 1.142 20 0 BDADLO CC[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418931 326043515 /nfs/dbraw/zinc/04/35/15/326043515.db2.gz LJDPZHHAPJAFHA-CBAPKCEASA-N 1 2 213.281 1.142 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CCCC1 ZINC000566430868 326046536 /nfs/dbraw/zinc/04/65/36/326046536.db2.gz KHVZQKFMWHXTCF-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CCCC1 ZINC000566430868 326046538 /nfs/dbraw/zinc/04/65/38/326046538.db2.gz KHVZQKFMWHXTCF-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCCO1 ZINC000566448861 326049481 /nfs/dbraw/zinc/04/94/81/326049481.db2.gz FKKCYRNZWZCSED-SNVBAGLBSA-N 1 2 237.303 1.532 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCCO1 ZINC000566448861 326049482 /nfs/dbraw/zinc/04/94/82/326049482.db2.gz FKKCYRNZWZCSED-SNVBAGLBSA-N 1 2 237.303 1.532 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@]1(C)CCCO1 ZINC000566468297 326052370 /nfs/dbraw/zinc/05/23/70/326052370.db2.gz ITBAENPDKKNVOQ-LBPRGKRZSA-N 1 2 237.303 1.088 20 0 BDADLO COC(=O)[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000566478125 326054631 /nfs/dbraw/zinc/05/46/31/326054631.db2.gz CJSKZXLZQUFODM-SNVBAGLBSA-N 1 2 235.287 1.093 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1nc(C)[nH+]cc1C ZINC000566478375 326055059 /nfs/dbraw/zinc/05/50/59/326055059.db2.gz JFJIKVXFNFDSFC-GZMMTYOYSA-N 1 2 223.320 1.334 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)Cn1cccn1 ZINC000566479460 326055092 /nfs/dbraw/zinc/05/50/92/326055092.db2.gz YUQBVBMCMQHICY-SNVBAGLBSA-N 1 2 245.330 1.460 20 0 BDADLO c1nnn2c1CN(c1[nH]c3ccccc3[nH+]1)CC2 ZINC000566481647 326055711 /nfs/dbraw/zinc/05/57/11/326055711.db2.gz AOSMKUUDTMCTNB-UHFFFAOYSA-N 1 2 240.270 1.175 20 0 BDADLO Cc1cc(C[NH2+]Cc2c[nH]c3nccnc23)no1 ZINC000566534232 326061612 /nfs/dbraw/zinc/06/16/12/326061612.db2.gz WTBPTBAUKUIAFJ-UHFFFAOYSA-N 1 2 243.270 1.496 20 0 BDADLO CC(C)C1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000566806016 326084972 /nfs/dbraw/zinc/08/49/72/326084972.db2.gz NLCMCQAPMVOGJH-SNVBAGLBSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)C1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000566806016 326084974 /nfs/dbraw/zinc/08/49/74/326084974.db2.gz NLCMCQAPMVOGJH-SNVBAGLBSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@@H](CSC)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000566982504 326099702 /nfs/dbraw/zinc/09/97/02/326099702.db2.gz ILFOKQKLOCEAAS-JTQLQIEISA-N 1 2 244.404 1.586 20 0 BDADLO O=C(NCCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000153980608 326123578 /nfs/dbraw/zinc/12/35/78/326123578.db2.gz YPGGAFZAWJGASA-UHFFFAOYSA-N 1 2 247.273 1.962 20 0 BDADLO C[N@H+](CCOC[C@H]1CCCO1)Cc1cc[nH]n1 ZINC000567154479 326125070 /nfs/dbraw/zinc/12/50/70/326125070.db2.gz UKBZVZPKZIYLOI-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC[C@H]1CCCO1)Cc1cc[nH]n1 ZINC000567154479 326125072 /nfs/dbraw/zinc/12/50/72/326125072.db2.gz UKBZVZPKZIYLOI-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000154031685 326126418 /nfs/dbraw/zinc/12/64/18/326126418.db2.gz PHTHUNZKNIQLRE-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000154031685 326126420 /nfs/dbraw/zinc/12/64/20/326126420.db2.gz PHTHUNZKNIQLRE-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCOCCC(C)C ZINC000567179692 326130494 /nfs/dbraw/zinc/13/04/94/326130494.db2.gz POHKFRQXKPZNCU-UHFFFAOYSA-N 1 2 237.347 1.990 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](O)C1CCC1 ZINC000567216293 326141801 /nfs/dbraw/zinc/14/18/01/326141801.db2.gz HKMGBWOBFWTDCU-LBPRGKRZSA-N 1 2 249.314 1.094 20 0 BDADLO C[C@@H]1CCO[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000567338974 326166524 /nfs/dbraw/zinc/16/65/24/326166524.db2.gz CUQTURUXVQOYKG-SKDRFNHKSA-N 1 2 249.314 1.583 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000567355052 326173046 /nfs/dbraw/zinc/17/30/46/326173046.db2.gz XPKVMUKKNSMZRV-NSHDSACASA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000567355052 326173047 /nfs/dbraw/zinc/17/30/47/326173047.db2.gz XPKVMUKKNSMZRV-NSHDSACASA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000567355052 326173048 /nfs/dbraw/zinc/17/30/48/326173048.db2.gz XPKVMUKKNSMZRV-NSHDSACASA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000567355052 326173049 /nfs/dbraw/zinc/17/30/49/326173049.db2.gz XPKVMUKKNSMZRV-NSHDSACASA-N 1 2 249.289 1.733 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000567419440 326186833 /nfs/dbraw/zinc/18/68/33/326186833.db2.gz PSVPNLZUPYYIQF-GDGBQDQQSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)N2CCCCC2)[C@H]1C ZINC000156401785 326230969 /nfs/dbraw/zinc/23/09/69/326230969.db2.gz QXAWKDUAJYKIGV-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCCCC2)[C@H]1C ZINC000156401785 326230971 /nfs/dbraw/zinc/23/09/71/326230971.db2.gz QXAWKDUAJYKIGV-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC(C)(C)O ZINC000567627607 326232321 /nfs/dbraw/zinc/23/23/21/326232321.db2.gz XXVBJVNDCQHGSY-UHFFFAOYSA-N 1 2 209.293 1.088 20 0 BDADLO CC1(C)C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000156446452 326233208 /nfs/dbraw/zinc/23/32/08/326233208.db2.gz OLWIEDQBOGFCNB-SSDOTTSWSA-N 1 2 206.245 1.772 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC000567975564 326289685 /nfs/dbraw/zinc/28/96/85/326289685.db2.gz WOXRHTHDTZWMPG-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H](C)C(=O)[O-] ZINC000568060844 326302171 /nfs/dbraw/zinc/30/21/71/326302171.db2.gz QPAHIOMHGNMHNA-VXGBXAGGSA-N 1 2 242.363 1.417 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C2CCC1CC2 ZINC000568184349 326322780 /nfs/dbraw/zinc/32/27/80/326322780.db2.gz UCBKMJBRCRDKGU-OIKLOGQESA-N 1 2 233.315 1.742 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C2CCC1CC2 ZINC000568184349 326322782 /nfs/dbraw/zinc/32/27/82/326322782.db2.gz UCBKMJBRCRDKGU-OIKLOGQESA-N 1 2 233.315 1.742 20 0 BDADLO CCC1(C(=O)NCCc2c[nH+]cn2C)CCC1 ZINC000158963191 326347065 /nfs/dbraw/zinc/34/70/65/326347065.db2.gz BYKZOQMDSHVFCY-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000568366581 326350288 /nfs/dbraw/zinc/35/02/88/326350288.db2.gz GLZQNKSIFHWOLG-CHWSQXEVSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cnn(C)c1 ZINC000568801186 326377873 /nfs/dbraw/zinc/37/78/73/326377873.db2.gz AYVFFBDWKOYEIR-MRVPVSSYSA-N 1 2 246.318 1.266 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000568827833 326378303 /nfs/dbraw/zinc/37/83/03/326378303.db2.gz NIGCGWFPHBDWGU-IAZYJMLFSA-N 1 2 248.330 1.360 20 0 BDADLO CC(C)(C(=O)Nc1ccc(=O)[nH]c1)c1c[nH]c[nH+]1 ZINC000568946442 326383017 /nfs/dbraw/zinc/38/30/17/326383017.db2.gz NIQVNIRWDLRJAD-UHFFFAOYSA-N 1 2 246.270 1.427 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1CC12CC2)n1cc[nH+]c1 ZINC000569108082 326390571 /nfs/dbraw/zinc/39/05/71/326390571.db2.gz JLFQOVUKUWKWEQ-GHMZBOCLSA-N 1 2 233.315 1.751 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC12CC2 ZINC000569321344 326399978 /nfs/dbraw/zinc/39/99/78/326399978.db2.gz XYWNEZREMYPTLU-MNOVXSKESA-N 1 2 248.330 1.371 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(F)C1 ZINC000655040044 487974193 /nfs/dbraw/zinc/97/41/93/487974193.db2.gz HWCJRFOLXXAXDC-QMMMGPOBSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(F)C1 ZINC000655040044 487974198 /nfs/dbraw/zinc/97/41/98/487974198.db2.gz HWCJRFOLXXAXDC-QMMMGPOBSA-N 1 2 225.267 1.159 20 0 BDADLO CCCC[C@@H](COC)[NH2+]CC(F)(F)CO ZINC000184707657 487974716 /nfs/dbraw/zinc/97/47/16/487974716.db2.gz VZLWERQXCPDAKI-VIFPVBQESA-N 1 2 225.279 1.409 20 0 BDADLO CCc1ccc([C@H](C)[NH2+]Cc2cn(C)nn2)o1 ZINC000679994703 487975097 /nfs/dbraw/zinc/97/50/97/487975097.db2.gz ZTZJQQLBTKGJLN-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO CCn1nccc1CNc1ccc(OC)c[nH+]1 ZINC000677128866 487977279 /nfs/dbraw/zinc/97/72/79/487977279.db2.gz FWJZGZMYDBBVNF-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000682535416 487980036 /nfs/dbraw/zinc/98/00/36/487980036.db2.gz WAOJOSGUABPGEI-MDZLAQPJSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000682535416 487980039 /nfs/dbraw/zinc/98/00/39/487980039.db2.gz WAOJOSGUABPGEI-MDZLAQPJSA-N 1 2 236.315 1.224 20 0 BDADLO CC1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000220517333 487980247 /nfs/dbraw/zinc/98/02/47/487980247.db2.gz IKMLFERKOMCARR-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO CC1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000220517333 487980250 /nfs/dbraw/zinc/98/02/50/487980250.db2.gz IKMLFERKOMCARR-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO O[C@H]1C[N@H+](CC[C@H]2CCCO2)CC(F)(F)C1 ZINC000682542729 487980808 /nfs/dbraw/zinc/98/08/08/487980808.db2.gz IIKBWMOUHRWYIJ-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1C[N@@H+](CC[C@H]2CCCO2)CC(F)(F)C1 ZINC000682542729 487980810 /nfs/dbraw/zinc/98/08/10/487980810.db2.gz IIKBWMOUHRWYIJ-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nccc(N)n1 ZINC000653612231 487982267 /nfs/dbraw/zinc/98/22/67/487982267.db2.gz FAFZCMPGESUSEX-VHSXEESVSA-N 1 2 243.314 1.866 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCCCC1 ZINC000220516490 487987422 /nfs/dbraw/zinc/98/74/22/487987422.db2.gz RFEDIGCFLBWZDS-LLVKDONJSA-N 1 2 247.342 1.917 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCCC1 ZINC000220516490 487987429 /nfs/dbraw/zinc/98/74/29/487987429.db2.gz RFEDIGCFLBWZDS-LLVKDONJSA-N 1 2 247.342 1.917 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666038546 487993231 /nfs/dbraw/zinc/99/32/31/487993231.db2.gz RNJGCHPAULMRCE-SECBINFHSA-N 1 2 221.304 1.381 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666038546 487993234 /nfs/dbraw/zinc/99/32/34/487993234.db2.gz RNJGCHPAULMRCE-SECBINFHSA-N 1 2 221.304 1.381 20 0 BDADLO CO[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CCCC1 ZINC000668604848 487998468 /nfs/dbraw/zinc/99/84/68/487998468.db2.gz UZOXPPKPGUMFQK-LLVKDONJSA-N 1 2 237.303 1.231 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H](C)C1 ZINC000134808203 487999363 /nfs/dbraw/zinc/99/93/63/487999363.db2.gz GUEMVTQEMAZXEE-QMMMGPOBSA-N 1 2 222.292 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H](C)C1 ZINC000134808203 487999370 /nfs/dbraw/zinc/99/93/70/487999370.db2.gz GUEMVTQEMAZXEE-QMMMGPOBSA-N 1 2 222.292 1.304 20 0 BDADLO CCN(CC)C(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000682673664 488009502 /nfs/dbraw/zinc/00/95/02/488009502.db2.gz UOXPPTSQKLXXBU-JTQLQIEISA-N 1 2 238.335 1.098 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2n[nH]c3ccccc32)CO1 ZINC000647253358 488017706 /nfs/dbraw/zinc/01/77/06/488017706.db2.gz LLHAUYSCBFVZQT-ZJUUUORDSA-N 1 2 231.299 1.830 20 0 BDADLO CCc1noc(C[N@H+]2CC=C(C)CC2)n1 ZINC000677379941 488026271 /nfs/dbraw/zinc/02/62/71/488026271.db2.gz NFBJPOWPODOURX-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCc1noc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000677379941 488026275 /nfs/dbraw/zinc/02/62/75/488026275.db2.gz NFBJPOWPODOURX-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000668634795 488033722 /nfs/dbraw/zinc/03/37/22/488033722.db2.gz CNXUNPZPUGESIR-JQWIXIFHSA-N 1 2 234.299 1.566 20 0 BDADLO CC[C@H]1COCCN1Cc1c[nH+]c2n1CCC2 ZINC000667532423 488040270 /nfs/dbraw/zinc/04/02/70/488040270.db2.gz MLQLSADCXPEWJT-NSHDSACASA-N 1 2 235.331 1.440 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOC[C@H]1CC ZINC000667532666 488040286 /nfs/dbraw/zinc/04/02/86/488040286.db2.gz VBJFHHZIMTVLRN-GFCCVEGCSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOC[C@H]1CC ZINC000667532666 488040289 /nfs/dbraw/zinc/04/02/89/488040289.db2.gz VBJFHHZIMTVLRN-GFCCVEGCSA-N 1 2 237.347 1.904 20 0 BDADLO O=C(NC1CC=CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000637045573 488053004 /nfs/dbraw/zinc/05/30/04/488053004.db2.gz MHOAXHNOPYROOP-JTQLQIEISA-N 1 2 246.314 1.285 20 0 BDADLO O=C(NC1CC=CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000637045573 488053006 /nfs/dbraw/zinc/05/30/06/488053006.db2.gz MHOAXHNOPYROOP-JTQLQIEISA-N 1 2 246.314 1.285 20 0 BDADLO C[C@H]1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670076808 488053613 /nfs/dbraw/zinc/05/36/13/488053613.db2.gz KMRBTQLEPUPLIS-JTQLQIEISA-N 1 2 248.330 1.443 20 0 BDADLO C[C@H]1OCCN(Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667638813 488065545 /nfs/dbraw/zinc/06/55/45/488065545.db2.gz AKYMMFWSGUULJO-WDEREUQCSA-N 1 2 235.331 1.439 20 0 BDADLO Cc1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)c(C)[nH+]1 ZINC000652673156 488067602 /nfs/dbraw/zinc/06/76/02/488067602.db2.gz QMWBWUZJFXHQIH-ZYHUDNBSSA-N 1 2 249.314 1.685 20 0 BDADLO CCC1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000075682026 488068064 /nfs/dbraw/zinc/06/80/64/488068064.db2.gz AJLBJGIQTYIACW-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000667644080 488068166 /nfs/dbraw/zinc/06/81/66/488068166.db2.gz ZSZKANBOBRRVLH-TXEJJXNPSA-N 1 2 247.342 1.661 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000667644080 488068170 /nfs/dbraw/zinc/06/81/70/488068170.db2.gz ZSZKANBOBRRVLH-TXEJJXNPSA-N 1 2 247.342 1.661 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N1CCCCCC1 ZINC000091971528 488078847 /nfs/dbraw/zinc/07/88/47/488078847.db2.gz IAZQUWQVYSOVPP-UHFFFAOYSA-N 1 2 236.319 1.838 20 0 BDADLO c1[nH+]c2n(c1CN1CCOC[C@@H]1C1CC1)CCC2 ZINC000667667349 488081272 /nfs/dbraw/zinc/08/12/72/488081272.db2.gz KTAJRJQODWMXGD-CYBMUJFWSA-N 1 2 247.342 1.440 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)nn1 ZINC000140766456 488085470 /nfs/dbraw/zinc/08/54/70/488085470.db2.gz ATFVMVGAJJZBHK-SECBINFHSA-N 1 2 245.286 1.308 20 0 BDADLO Cc1cnc(C[N@H+](CC(N)=O)C2CCCC2)nc1 ZINC000677682369 488092377 /nfs/dbraw/zinc/09/23/77/488092377.db2.gz UKJPOYQMRIFCIG-UHFFFAOYSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1cnc(C[N@@H+](CC(N)=O)C2CCCC2)nc1 ZINC000677682369 488092382 /nfs/dbraw/zinc/09/23/82/488092382.db2.gz UKJPOYQMRIFCIG-UHFFFAOYSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000683019690 488095801 /nfs/dbraw/zinc/09/58/01/488095801.db2.gz PLOXRGJAVMDWKD-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000683019690 488095803 /nfs/dbraw/zinc/09/58/03/488095803.db2.gz PLOXRGJAVMDWKD-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO CCCc1cc(C(=O)Nc2ccc(N)[nH+]c2)n[nH]1 ZINC000236906279 488097610 /nfs/dbraw/zinc/09/76/10/488097610.db2.gz KJWMRPKEFQQXIC-UHFFFAOYSA-N 1 2 245.286 1.592 20 0 BDADLO CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH+]c(C(=O)[O-])c1 ZINC000092632979 488099420 /nfs/dbraw/zinc/09/94/20/488099420.db2.gz WPJWFSJJLLVDLW-NSHDSACASA-N 1 2 249.314 1.310 20 0 BDADLO CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]c(C(=O)[O-])c1 ZINC000092632979 488099424 /nfs/dbraw/zinc/09/94/24/488099424.db2.gz WPJWFSJJLLVDLW-NSHDSACASA-N 1 2 249.314 1.310 20 0 BDADLO CC[C@]1([NH2+]Cc2noc(C3CC3)n2)CCOC1 ZINC000683042688 488101939 /nfs/dbraw/zinc/10/19/39/488101939.db2.gz NVAOUYMUMRBHQT-LBPRGKRZSA-N 1 2 237.303 1.606 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678359982 488106131 /nfs/dbraw/zinc/10/61/31/488106131.db2.gz KWTZHSODFFJAGO-MWLCHTKSSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000683108946 488107804 /nfs/dbraw/zinc/10/78/04/488107804.db2.gz ATNMMPDOOGCOAH-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000683108946 488107807 /nfs/dbraw/zinc/10/78/07/488107807.db2.gz ATNMMPDOOGCOAH-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO CC(C)CNC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734986 488112172 /nfs/dbraw/zinc/11/21/72/488112172.db2.gz ZMZCDMIWTQDGCT-UHFFFAOYSA-N 1 2 246.301 1.490 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000677738554 488116628 /nfs/dbraw/zinc/11/66/28/488116628.db2.gz KNPADYCXFAJTLD-MNOVXSKESA-N 1 2 249.301 1.912 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000677738554 488116634 /nfs/dbraw/zinc/11/66/34/488116634.db2.gz KNPADYCXFAJTLD-MNOVXSKESA-N 1 2 249.301 1.912 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000232783053 488124005 /nfs/dbraw/zinc/12/40/05/488124005.db2.gz WVCQIIQZRMJJBK-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO CCNC(=O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000677807673 488127796 /nfs/dbraw/zinc/12/77/96/488127796.db2.gz NDBNPQSRZKRIBK-UHFFFAOYSA-N 1 2 232.287 1.135 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCSC1 ZINC000526030192 487539156 /nfs/dbraw/zinc/53/91/56/487539156.db2.gz SEKOMZPQOOMAJG-SECBINFHSA-N 1 2 239.344 1.212 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCSC1 ZINC000526030192 487539158 /nfs/dbraw/zinc/53/91/58/487539158.db2.gz SEKOMZPQOOMAJG-SECBINFHSA-N 1 2 239.344 1.212 20 0 BDADLO Cc1ccc(N[C@@H]2CCCNC(=O)C2)c(C)[nH+]1 ZINC000094664987 487549898 /nfs/dbraw/zinc/54/98/98/487549898.db2.gz NMMRNLHHBQODKD-LLVKDONJSA-N 1 2 233.315 1.779 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2cn[nH]c2C1)C1CCCCC1 ZINC000682767280 487553275 /nfs/dbraw/zinc/55/32/75/487553275.db2.gz LVGPLTWAMLCBDV-AWEZNQCLSA-N 1 2 249.358 1.709 20 0 BDADLO O[C@@H](C[N@H+]1CCc2cn[nH]c2C1)C1CCCCC1 ZINC000682767280 487553278 /nfs/dbraw/zinc/55/32/78/487553278.db2.gz LVGPLTWAMLCBDV-AWEZNQCLSA-N 1 2 249.358 1.709 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2csnn2)c1 ZINC000680260398 487554398 /nfs/dbraw/zinc/55/43/98/487554398.db2.gz VRJFPXNXAHQWJQ-UHFFFAOYSA-N 1 2 249.299 1.251 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000674302969 487555854 /nfs/dbraw/zinc/55/58/54/487555854.db2.gz RZKMSAHDQDPMRA-BDAKNGLRSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCO1 ZINC000674302969 487555859 /nfs/dbraw/zinc/55/58/59/487555859.db2.gz RZKMSAHDQDPMRA-BDAKNGLRSA-N 1 2 239.237 1.429 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2CO)s1 ZINC000680073178 487532470 /nfs/dbraw/zinc/53/24/70/487532470.db2.gz XFRFFYUEQBILDA-VIFPVBQESA-N 1 2 244.385 1.361 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2CO)s1 ZINC000680073178 487532474 /nfs/dbraw/zinc/53/24/74/487532474.db2.gz XFRFFYUEQBILDA-VIFPVBQESA-N 1 2 244.385 1.361 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCC(F)(F)C1 ZINC000405056793 487472100 /nfs/dbraw/zinc/47/21/00/487472100.db2.gz NNPCOYHAGSQGOJ-UHFFFAOYSA-N 1 2 244.245 1.303 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCC(F)(F)C1 ZINC000405056793 487472104 /nfs/dbraw/zinc/47/21/04/487472104.db2.gz NNPCOYHAGSQGOJ-UHFFFAOYSA-N 1 2 244.245 1.303 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1CC1 ZINC000669281015 487476223 /nfs/dbraw/zinc/47/62/23/487476223.db2.gz IYRFVVQCAMUCOO-GHMZBOCLSA-N 1 2 233.315 1.440 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1C[C@H]1C)CC2 ZINC000679892502 487481776 /nfs/dbraw/zinc/48/17/76/487481776.db2.gz ZDRRQRSHKUFAKQ-MWLCHTKSSA-N 1 2 248.330 1.373 20 0 BDADLO CCc1cnc(CN2CCn3cc(C)[nH+]c3C2)o1 ZINC000679870014 487479134 /nfs/dbraw/zinc/47/91/34/487479134.db2.gz WTYJENYGGKCKKC-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCc1cc(N2CCC[C@@H](O)[C@H]2C)nc(C)[nH+]1 ZINC000294977228 487479402 /nfs/dbraw/zinc/47/94/02/487479402.db2.gz LPLGILYRZUXUMU-BXKDBHETSA-N 1 2 235.331 1.697 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccccn1 ZINC000673927062 487480111 /nfs/dbraw/zinc/48/01/11/487480111.db2.gz KBXWGEGEPYEAES-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccccn1 ZINC000673927062 487480115 /nfs/dbraw/zinc/48/01/15/487480115.db2.gz KBXWGEGEPYEAES-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO OCCCc1cn(-c2ncc(Cl)cn2)c[nH+]1 ZINC000673932484 487484284 /nfs/dbraw/zinc/48/42/84/487484284.db2.gz ZSSGJSJTOYVFCD-UHFFFAOYSA-N 1 2 238.678 1.241 20 0 BDADLO O=C(c1ncccc1F)N1CC(n2cc[nH+]c2)C1 ZINC000668758824 487492103 /nfs/dbraw/zinc/49/21/03/487492103.db2.gz KGSICABZZIFQRI-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000673968259 487492646 /nfs/dbraw/zinc/49/26/46/487492646.db2.gz ZFLVOIUIUGHJLY-SNVBAGLBSA-N 1 2 237.303 1.348 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000673968259 487492648 /nfs/dbraw/zinc/49/26/48/487492648.db2.gz ZFLVOIUIUGHJLY-SNVBAGLBSA-N 1 2 237.303 1.348 20 0 BDADLO O=C(C[N@H+]1CC[C@H]1c1cccc(F)c1)N1CCC1 ZINC000674009293 487498656 /nfs/dbraw/zinc/49/86/56/487498656.db2.gz GLZUTFKMENCWDQ-ZDUSSCGKSA-N 1 2 248.301 1.805 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]1c1cccc(F)c1)N1CCC1 ZINC000674009293 487498660 /nfs/dbraw/zinc/49/86/60/487498660.db2.gz GLZUTFKMENCWDQ-ZDUSSCGKSA-N 1 2 248.301 1.805 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000677802633 487496833 /nfs/dbraw/zinc/49/68/33/487496833.db2.gz QIXMFJBMPIWQCD-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO Cc1cc(NCc2cn(C)nn2)nc(C2CC2)[nH+]1 ZINC000679933059 487497254 /nfs/dbraw/zinc/49/72/54/487497254.db2.gz VUMSAZZFZUEIJQ-UHFFFAOYSA-N 1 2 244.302 1.403 20 0 BDADLO CC/C=C\CNC(=O)NCc1c[nH+]cn1C ZINC000454994861 487498226 /nfs/dbraw/zinc/49/82/26/487498226.db2.gz MVGZMNJLUAAIJN-PLNGDYQASA-N 1 2 222.292 1.186 20 0 BDADLO OC[C@H]([NH2+]CC(F)F)c1ccccc1 ZINC000063003055 487506310 /nfs/dbraw/zinc/50/63/10/487506310.db2.gz KDKARJRBXPVVHT-VIFPVBQESA-N 1 2 201.216 1.575 20 0 BDADLO O=C(C[N@H+]1CC[C@H]1c1cccc(F)c1)NC1CC1 ZINC000674013217 487501437 /nfs/dbraw/zinc/50/14/37/487501437.db2.gz MLINSOVQALBUAS-ZDUSSCGKSA-N 1 2 248.301 1.851 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]1c1cccc(F)c1)NC1CC1 ZINC000674013217 487501441 /nfs/dbraw/zinc/50/14/41/487501441.db2.gz MLINSOVQALBUAS-ZDUSSCGKSA-N 1 2 248.301 1.851 20 0 BDADLO CCc1cc(N(C)C[C@@H]2CCOC2)nc[nH+]1 ZINC000674069182 487508593 /nfs/dbraw/zinc/50/85/93/487508593.db2.gz WDWAXWKDUUOMBH-JTQLQIEISA-N 1 2 221.304 1.512 20 0 BDADLO CCCn1nccc1C[NH+]1CC(C)(COC)C1 ZINC000668233947 487509260 /nfs/dbraw/zinc/50/92/60/487509260.db2.gz SLVNNNYTFRLYRL-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(CCC(F)F)n1 ZINC000685350761 487514408 /nfs/dbraw/zinc/51/44/08/487514408.db2.gz YTTHZHHKBUODBI-UHFFFAOYSA-N 1 2 242.229 1.592 20 0 BDADLO C[C@@H](c1cnccn1)N(C)Cc1[nH]cc[nH+]1 ZINC000685412242 487516386 /nfs/dbraw/zinc/51/63/86/487516386.db2.gz UNMLTXMMNHZZGL-VIFPVBQESA-N 1 2 217.276 1.393 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000685418079 487519112 /nfs/dbraw/zinc/51/91/12/487519112.db2.gz OSWKEIVNPMWFDI-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000685418079 487519115 /nfs/dbraw/zinc/51/91/15/487519115.db2.gz OSWKEIVNPMWFDI-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccnc2N(C)C)o1 ZINC000685428656 487520832 /nfs/dbraw/zinc/52/08/32/487520832.db2.gz KZZBWNQJRLONQA-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC=CCC2)nn1 ZINC000685426513 487521387 /nfs/dbraw/zinc/52/13/87/487521387.db2.gz VBHINFZGGHXYPH-UHFFFAOYSA-N 1 2 206.293 1.621 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC=CCC2)nn1 ZINC000685426513 487521389 /nfs/dbraw/zinc/52/13/89/487521389.db2.gz VBHINFZGGHXYPH-UHFFFAOYSA-N 1 2 206.293 1.621 20 0 BDADLO CN(CC1=CCSC1)Cc1c[nH+]c2n1CCC2 ZINC000668777465 487523543 /nfs/dbraw/zinc/52/35/43/487523543.db2.gz XYDBOBQMSLKUGI-UHFFFAOYSA-N 1 2 249.383 1.934 20 0 BDADLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000685448126 487526081 /nfs/dbraw/zinc/52/60/81/487526081.db2.gz PEHRIDDCAGQZMB-LLVKDONJSA-N 1 2 247.302 1.828 20 0 BDADLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000685448126 487526087 /nfs/dbraw/zinc/52/60/87/487526087.db2.gz PEHRIDDCAGQZMB-LLVKDONJSA-N 1 2 247.302 1.828 20 0 BDADLO C[C@H](C(=O)Nc1cc[nH+]cc1O)C1CCCC1 ZINC000674133941 487524716 /nfs/dbraw/zinc/52/47/16/487524716.db2.gz BMLRGTIAAJZQBP-VIFPVBQESA-N 1 2 234.299 1.974 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCOC)s1 ZINC000680049416 487527255 /nfs/dbraw/zinc/52/72/55/487527255.db2.gz GYGCWBKZWMVHMS-UHFFFAOYSA-N 1 2 229.349 1.569 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCOC)s1 ZINC000680049416 487527260 /nfs/dbraw/zinc/52/72/60/487527260.db2.gz GYGCWBKZWMVHMS-UHFFFAOYSA-N 1 2 229.349 1.569 20 0 BDADLO Cn1c[nH+]c(CNc2cc(C3CC3)n(C)n2)c1 ZINC000685627265 487567547 /nfs/dbraw/zinc/56/75/47/487567547.db2.gz BAWKQQQUCWEQJG-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO CCc1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000685925366 487598361 /nfs/dbraw/zinc/59/83/61/487598361.db2.gz OBZKPCXGLGLFCC-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cncnc1 ZINC000680626136 487623442 /nfs/dbraw/zinc/62/34/42/487623442.db2.gz RVVSIMNQAJXVKA-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cn(C)nn2)oc1C ZINC000669703929 487701308 /nfs/dbraw/zinc/70/13/08/487701308.db2.gz RSYSDBVWHXRSTB-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO C[C@@H]1SCC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000383752025 487782364 /nfs/dbraw/zinc/78/23/64/487782364.db2.gz FAUJEMADXWJVSA-CBAPKCEASA-N 1 2 249.343 1.669 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cn[nH]c2)cnn1C ZINC000675966775 487798010 /nfs/dbraw/zinc/79/80/10/487798010.db2.gz CULGKAOGTXWMMS-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cn[nH]c2)cnn1C ZINC000675966775 487798014 /nfs/dbraw/zinc/79/80/14/487798014.db2.gz CULGKAOGTXWMMS-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1ccc(NC[C@@H]2CNc3ccnn3C2)c[nH+]1 ZINC000676239044 487826984 /nfs/dbraw/zinc/82/69/84/487826984.db2.gz CBSWHTIKVHEBLK-LLVKDONJSA-N 1 2 243.314 1.740 20 0 BDADLO Cc1cc[nH+]cc1NC[C@@H]1CNc2ccnn2C1 ZINC000676493631 487857279 /nfs/dbraw/zinc/85/72/79/487857279.db2.gz FIXYLVRLIBYGTO-LLVKDONJSA-N 1 2 243.314 1.740 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ncc[nH]1 ZINC000139909036 487890435 /nfs/dbraw/zinc/89/04/35/487890435.db2.gz YPQUNNGVRMWYEL-SSDOTTSWSA-N 1 2 243.274 1.260 20 0 BDADLO CC1(C)SC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000283513317 487915450 /nfs/dbraw/zinc/91/54/50/487915450.db2.gz ZRQKGRPBBIMTKM-VIFPVBQESA-N 1 2 239.344 1.353 20 0 BDADLO CC1(C)SC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000283513317 487915458 /nfs/dbraw/zinc/91/54/58/487915458.db2.gz ZRQKGRPBBIMTKM-VIFPVBQESA-N 1 2 239.344 1.353 20 0 BDADLO Cc1nc(N2CCC[C@@H]3C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000672323995 487921176 /nfs/dbraw/zinc/92/11/76/487921176.db2.gz ZAZFKNUWWRJYKR-ZJUUUORDSA-N 1 2 233.319 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000672323995 487921183 /nfs/dbraw/zinc/92/11/83/487921183.db2.gz ZAZFKNUWWRJYKR-ZJUUUORDSA-N 1 2 233.319 1.235 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@]1(C)CCCO1 ZINC000134921741 488006282 /nfs/dbraw/zinc/00/62/82/488006282.db2.gz FGJYBUKVTWXUCY-NSHDSACASA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@]1(C)CCCO1 ZINC000134921741 488006287 /nfs/dbraw/zinc/00/62/87/488006287.db2.gz FGJYBUKVTWXUCY-NSHDSACASA-N 1 2 238.291 1.048 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000667492780 488025665 /nfs/dbraw/zinc/02/56/65/488025665.db2.gz WBAVXFKJMDYAAG-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@H](C)C1 ZINC000667492780 488025669 /nfs/dbraw/zinc/02/56/69/488025669.db2.gz WBAVXFKJMDYAAG-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO Fc1c[nH+]ccc1NCc1cn2ccccc2n1 ZINC000683069700 488105024 /nfs/dbraw/zinc/10/50/24/488105024.db2.gz ONQWWYFMTSRGIS-UHFFFAOYSA-N 1 2 242.257 1.902 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000160583030 488145451 /nfs/dbraw/zinc/14/54/51/488145451.db2.gz CAHIQIDIKLBNEH-DTORHVGOSA-N 1 2 234.303 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H]2CCC[C@@H]2C1 ZINC000160583030 488145455 /nfs/dbraw/zinc/14/54/55/488145455.db2.gz CAHIQIDIKLBNEH-DTORHVGOSA-N 1 2 234.303 1.304 20 0 BDADLO Cn1c[nH+]c(C=Cc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000666087386 488147193 /nfs/dbraw/zinc/14/71/93/488147193.db2.gz NSSYFCQHHZOSJA-SNAWJCMRSA-N 1 2 242.282 1.964 20 0 BDADLO CCc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n(C)n1 ZINC000140830416 488148034 /nfs/dbraw/zinc/14/80/34/488148034.db2.gz KNNWVSIZNAUANZ-MRVPVSSYSA-N 1 2 247.302 1.197 20 0 BDADLO C1=CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000683394112 488157291 /nfs/dbraw/zinc/15/72/91/488157291.db2.gz QJJHEJYDGSLRQO-UHFFFAOYSA-N 1 2 230.315 1.843 20 0 BDADLO C1=CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000683394112 488157292 /nfs/dbraw/zinc/15/72/92/488157292.db2.gz QJJHEJYDGSLRQO-UHFFFAOYSA-N 1 2 230.315 1.843 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccsc2)nn1 ZINC000404444200 488161280 /nfs/dbraw/zinc/16/12/80/488161280.db2.gz MKNXEFFVHWQMOZ-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO COCCNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667947862 488165598 /nfs/dbraw/zinc/16/55/98/488165598.db2.gz DSROKZXUNXELLE-UHFFFAOYSA-N 1 2 248.286 1.411 20 0 BDADLO CN(c1[nH]c2ccccc2[nH+]1)[C@@H]1CCOC1 ZINC000134965096 488169915 /nfs/dbraw/zinc/16/99/15/488169915.db2.gz VBOIHIIEERFPOZ-SECBINFHSA-N 1 2 217.272 1.788 20 0 BDADLO C[N@H+](Cc1cnn2c1CCC2)Cc1ccccn1 ZINC000667978024 488173557 /nfs/dbraw/zinc/17/35/57/488173557.db2.gz RBIKSRLPZQXJAV-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1cnn2c1CCC2)Cc1ccccn1 ZINC000667978024 488173560 /nfs/dbraw/zinc/17/35/60/488173560.db2.gz RBIKSRLPZQXJAV-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCc3nccnc3C2)cn1 ZINC000668734763 488180439 /nfs/dbraw/zinc/18/04/39/488180439.db2.gz SJOMYRNPPXUZJX-UHFFFAOYSA-N 1 2 241.298 1.332 20 0 BDADLO C=Cn1cc(C[N@H+]2CCc3nccnc3C2)cn1 ZINC000668734763 488180445 /nfs/dbraw/zinc/18/04/45/488180445.db2.gz SJOMYRNPPXUZJX-UHFFFAOYSA-N 1 2 241.298 1.332 20 0 BDADLO FC1(C[N@@H+]2CCc3nccnc3C2)CC1 ZINC000668734713 488180598 /nfs/dbraw/zinc/18/05/98/488180598.db2.gz RGXZWRUZXJPOSG-UHFFFAOYSA-N 1 2 207.252 1.337 20 0 BDADLO FC1(C[N@H+]2CCc3nccnc3C2)CC1 ZINC000668734713 488180603 /nfs/dbraw/zinc/18/06/03/488180603.db2.gz RGXZWRUZXJPOSG-UHFFFAOYSA-N 1 2 207.252 1.337 20 0 BDADLO CCc1nc(C[N@@H+]2CCC23CCOCC3)no1 ZINC000683527351 488188034 /nfs/dbraw/zinc/18/80/34/488188034.db2.gz QDOFFLDKYRMWOZ-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1nc(C[N@H+]2CCC23CCOCC3)no1 ZINC000683527351 488188039 /nfs/dbraw/zinc/18/80/39/488188039.db2.gz QDOFFLDKYRMWOZ-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000668029712 488190286 /nfs/dbraw/zinc/19/02/86/488190286.db2.gz OMSBBFUOFAYHJV-VXGBXAGGSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)nn1 ZINC000678082942 488194358 /nfs/dbraw/zinc/19/43/58/488194358.db2.gz WQKCXHAOFCCSKD-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO COC[C@H](NCc1cn(C)c[nH+]1)c1ccco1 ZINC000673602786 488204729 /nfs/dbraw/zinc/20/47/29/488204729.db2.gz CSQMGOWOBZNCIJ-NSHDSACASA-N 1 2 235.287 1.490 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678144242 488206677 /nfs/dbraw/zinc/20/66/77/488206677.db2.gz YBNDVYXVSBUBME-JTQLQIEISA-N 1 2 235.262 1.040 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678144242 488206679 /nfs/dbraw/zinc/20/66/79/488206679.db2.gz YBNDVYXVSBUBME-JTQLQIEISA-N 1 2 235.262 1.040 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000683699025 488209871 /nfs/dbraw/zinc/20/98/71/488209871.db2.gz INBINYWRGCLFMJ-UHFFFAOYSA-N 1 2 229.287 1.265 20 0 BDADLO C=Cn1cc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000683699025 488209873 /nfs/dbraw/zinc/20/98/73/488209873.db2.gz INBINYWRGCLFMJ-UHFFFAOYSA-N 1 2 229.287 1.265 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1nn(C)c2ccccc12 ZINC000683721939 488212581 /nfs/dbraw/zinc/21/25/81/488212581.db2.gz GUCVHKKHBVSAIA-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1nn(C)c2ccccc12 ZINC000683721939 488212585 /nfs/dbraw/zinc/21/25/85/488212585.db2.gz GUCVHKKHBVSAIA-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO O=C1CC[N@H+](Cc2cscc2Cl)CCN1 ZINC000678238988 488222651 /nfs/dbraw/zinc/22/26/51/488222651.db2.gz MLYKAUGWFGWAJN-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO O=C1CC[N@@H+](Cc2cscc2Cl)CCN1 ZINC000678238988 488222653 /nfs/dbraw/zinc/22/26/53/488222653.db2.gz MLYKAUGWFGWAJN-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000683838147 488230434 /nfs/dbraw/zinc/23/04/34/488230434.db2.gz AXTPKPUGCRFUOE-JTQLQIEISA-N 1 2 221.260 1.240 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000683838147 488230437 /nfs/dbraw/zinc/23/04/37/488230437.db2.gz AXTPKPUGCRFUOE-JTQLQIEISA-N 1 2 221.260 1.240 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCC(=O)N2C)c(C)[nH+]1 ZINC000194828043 488240218 /nfs/dbraw/zinc/24/02/18/488240218.db2.gz CIPQOUSSBBHFSR-LLVKDONJSA-N 1 2 247.298 1.258 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000672145381 488240774 /nfs/dbraw/zinc/24/07/74/488240774.db2.gz GUOYZAOROFJJRN-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CCCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145075 488240818 /nfs/dbraw/zinc/24/08/18/488240818.db2.gz UNBWCLZKMCJJEG-NSHDSACASA-N 1 2 235.331 1.894 20 0 BDADLO CCCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145074 488240985 /nfs/dbraw/zinc/24/09/85/488240985.db2.gz UNBWCLZKMCJJEG-LLVKDONJSA-N 1 2 235.331 1.894 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000672151127 488241571 /nfs/dbraw/zinc/24/15/71/488241571.db2.gz MOAQRJZZNRAUBA-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(CC(F)(F)F)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672151807 488241990 /nfs/dbraw/zinc/24/19/90/488241990.db2.gz AUNFUPXYTOFRIM-ZETCQYMHSA-N 1 2 247.220 1.267 20 0 BDADLO Cn1ncnc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672226821 488246609 /nfs/dbraw/zinc/24/66/09/488246609.db2.gz QTKNHQWYGMVIIR-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000684094875 488266009 /nfs/dbraw/zinc/26/60/09/488266009.db2.gz XCUGYIOKDSLDQH-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000684094875 488266011 /nfs/dbraw/zinc/26/60/11/488266011.db2.gz XCUGYIOKDSLDQH-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@@](C)(OC)C2)n1 ZINC000684208213 488276894 /nfs/dbraw/zinc/27/68/94/488276894.db2.gz CXSOTGREDXGKRG-GFCCVEGCSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@@](C)(OC)C2)n1 ZINC000684208213 488276897 /nfs/dbraw/zinc/27/68/97/488276897.db2.gz CXSOTGREDXGKRG-GFCCVEGCSA-N 1 2 239.319 1.633 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC1(F)F ZINC000673377108 488282170 /nfs/dbraw/zinc/28/21/70/488282170.db2.gz BVPYCVPLRCJFDR-SECBINFHSA-N 1 2 243.257 1.577 20 0 BDADLO C[N@H+](CC(F)F)[C@H](CC(N)=O)c1ccccc1 ZINC000684625281 488335416 /nfs/dbraw/zinc/33/54/16/488335416.db2.gz MDXNWZAYOSUVKA-SNVBAGLBSA-N 1 2 242.269 1.800 20 0 BDADLO C[N@@H+](CC(F)F)[C@H](CC(N)=O)c1ccccc1 ZINC000684625281 488335418 /nfs/dbraw/zinc/33/54/18/488335418.db2.gz MDXNWZAYOSUVKA-SNVBAGLBSA-N 1 2 242.269 1.800 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CC=CCC2)n1 ZINC000679321453 488335938 /nfs/dbraw/zinc/33/59/38/488335938.db2.gz COULKIPXWPBYQC-VIFPVBQESA-N 1 2 207.277 1.955 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CC=CCC2)n1 ZINC000679321453 488335940 /nfs/dbraw/zinc/33/59/40/488335940.db2.gz COULKIPXWPBYQC-VIFPVBQESA-N 1 2 207.277 1.955 20 0 BDADLO CC1(F)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000684329221 488293036 /nfs/dbraw/zinc/29/30/36/488293036.db2.gz ZXNVOIYFFDQDRD-VIFPVBQESA-N 1 2 237.278 1.016 20 0 BDADLO Cn1cnc(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000673606507 488297757 /nfs/dbraw/zinc/29/77/57/488297757.db2.gz GQTIVWOHOSNQSM-LLVKDONJSA-N 1 2 235.287 1.226 20 0 BDADLO FC(F)(F)Cc1noc(C[N@H+]2CC=CCC2)n1 ZINC000679322592 488336529 /nfs/dbraw/zinc/33/65/29/488336529.db2.gz CNZFJKHRRGOTOR-UHFFFAOYSA-N 1 2 247.220 1.936 20 0 BDADLO FC(F)(F)Cc1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679322592 488336530 /nfs/dbraw/zinc/33/65/30/488336530.db2.gz CNZFJKHRRGOTOR-UHFFFAOYSA-N 1 2 247.220 1.936 20 0 BDADLO Cn1cc[nH+]c1CNc1cnc2c(c1)COCC2 ZINC000679029346 488303820 /nfs/dbraw/zinc/30/38/20/488303820.db2.gz NSPBSSAVPAIKFI-UHFFFAOYSA-N 1 2 244.298 1.500 20 0 BDADLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C(C)(C)O ZINC000673688753 488304545 /nfs/dbraw/zinc/30/45/45/488304545.db2.gz IGFOOLDEPLMNNK-SECBINFHSA-N 1 2 247.298 1.224 20 0 BDADLO C[C@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000684408285 488308073 /nfs/dbraw/zinc/30/80/73/488308073.db2.gz PJBRBKPLSPEJGA-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@H](F)C2)cc[nH+]1 ZINC000679191199 488315616 /nfs/dbraw/zinc/31/56/16/488315616.db2.gz CDGUXGITAAYCID-WCBMZHEXSA-N 1 2 209.268 1.969 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC000684467678 488317218 /nfs/dbraw/zinc/31/72/18/488317218.db2.gz FXEUPWAMUVLISR-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC000684467678 488317220 /nfs/dbraw/zinc/31/72/20/488317220.db2.gz FXEUPWAMUVLISR-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1F ZINC000679219587 488318439 /nfs/dbraw/zinc/31/84/39/488318439.db2.gz DONFLHSHTBNGGV-GXSJLCMTSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1F ZINC000679219587 488318442 /nfs/dbraw/zinc/31/84/42/488318442.db2.gz DONFLHSHTBNGGV-GXSJLCMTSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@H]1F ZINC000679223654 488320660 /nfs/dbraw/zinc/32/06/60/488320660.db2.gz MBQNCHZHKJNGAW-GXSJLCMTSA-N 1 2 228.311 1.287 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1F ZINC000679223654 488320661 /nfs/dbraw/zinc/32/06/61/488320661.db2.gz MBQNCHZHKJNGAW-GXSJLCMTSA-N 1 2 228.311 1.287 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000679335590 488341273 /nfs/dbraw/zinc/34/12/73/488341273.db2.gz FJNDAGZRAMAHBH-IUCAKERBSA-N 1 2 234.307 1.049 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(O)cc1 ZINC000679392028 488349631 /nfs/dbraw/zinc/34/96/31/488349631.db2.gz DVZCJYHTMLOJSR-CYBMUJFWSA-N 1 2 248.326 1.493 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679392028 488349632 /nfs/dbraw/zinc/34/96/32/488349632.db2.gz DVZCJYHTMLOJSR-CYBMUJFWSA-N 1 2 248.326 1.493 20 0 BDADLO O=C1C[N@H+](Cc2ccc(O)cc2)CCN1C1CC1 ZINC000679393415 488350121 /nfs/dbraw/zinc/35/01/21/488350121.db2.gz XGTJCCDJABWWTL-UHFFFAOYSA-N 1 2 246.310 1.199 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(O)cc2)CCN1C1CC1 ZINC000679393415 488350122 /nfs/dbraw/zinc/35/01/22/488350122.db2.gz XGTJCCDJABWWTL-UHFFFAOYSA-N 1 2 246.310 1.199 20 0 BDADLO Oc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000679395672 488350405 /nfs/dbraw/zinc/35/04/05/488350405.db2.gz ZYGQYYWVMICOBX-UHFFFAOYSA-N 1 2 245.286 1.003 20 0 BDADLO CCNC(=O)C[NH2+]Cc1nc2ccccc2o1 ZINC000679406363 488351155 /nfs/dbraw/zinc/35/11/55/488351155.db2.gz NKYZDPJJEXOFEV-UHFFFAOYSA-N 1 2 233.271 1.054 20 0 BDADLO CC1(C(=O)Nc2ccc3[nH+]ccn3c2)COC1 ZINC000679845266 488368403 /nfs/dbraw/zinc/36/84/03/488368403.db2.gz PRIYFQKFCDIRKT-UHFFFAOYSA-N 1 2 231.255 1.309 20 0 BDADLO Cc1cc(NCCn2ccnn2)nc(C2CC2)[nH+]1 ZINC000679848877 488368665 /nfs/dbraw/zinc/36/86/65/488368665.db2.gz IOXCHZLAIHVDSM-UHFFFAOYSA-N 1 2 244.302 1.366 20 0 BDADLO C[C@H](C1CC1)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486564 490144782 /nfs/dbraw/zinc/14/47/82/490144782.db2.gz CLTNZGNRANOAGN-SECBINFHSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@H](C1CC1)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486564 490144786 /nfs/dbraw/zinc/14/47/86/490144786.db2.gz CLTNZGNRANOAGN-SECBINFHSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)[C@H](C)CO1 ZINC000122542370 490149951 /nfs/dbraw/zinc/14/99/51/490149951.db2.gz LLSYEIWMNXCSJP-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)[C@H](C)CO1 ZINC000122542370 490149957 /nfs/dbraw/zinc/14/99/57/490149957.db2.gz LLSYEIWMNXCSJP-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H]1CCCOC1 ZINC000414482376 490279831 /nfs/dbraw/zinc/27/98/31/490279831.db2.gz DJTOULHNZFCISK-GHMZBOCLSA-N 1 2 227.304 1.097 20 0 BDADLO CCn1ccnc(N[C@H](C)c2[nH]cc[nH+]2)c1=O ZINC000139865080 490331303 /nfs/dbraw/zinc/33/13/03/490331303.db2.gz CKKKAKYOSYHYOD-MRVPVSSYSA-N 1 2 233.275 1.159 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618872 490359114 /nfs/dbraw/zinc/35/91/14/490359114.db2.gz PJABHUFGBLNMKN-BBBLOLIVSA-N 1 2 236.319 1.251 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000092618872 490359120 /nfs/dbraw/zinc/35/91/20/490359120.db2.gz PJABHUFGBLNMKN-BBBLOLIVSA-N 1 2 236.319 1.251 20 0 BDADLO COC[C@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125369751 490429498 /nfs/dbraw/zinc/42/94/98/490429498.db2.gz GTYNXEYXBCIIQP-RKDXNWHRSA-N 1 2 225.292 1.260 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000130824450 490454876 /nfs/dbraw/zinc/45/48/76/490454876.db2.gz LNVNYPGVVKSDHR-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000074034102 490473882 /nfs/dbraw/zinc/47/38/82/490473882.db2.gz PWCBRMDUACYIDY-NWDGAFQWSA-N 1 2 233.315 1.674 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCC1 ZINC000074726778 490500691 /nfs/dbraw/zinc/50/06/91/490500691.db2.gz WZTBJXRKXVKPIC-UHFFFAOYSA-N 1 2 207.277 1.355 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCC1 ZINC000074726778 490500698 /nfs/dbraw/zinc/50/06/98/490500698.db2.gz WZTBJXRKXVKPIC-UHFFFAOYSA-N 1 2 207.277 1.355 20 0 BDADLO FC1(F)CCC[C@@H]1NCc1[nH]cc[nH+]1 ZINC000306923898 490649272 /nfs/dbraw/zinc/64/92/72/490649272.db2.gz HIHCULPRMVTNKQ-ZETCQYMHSA-N 1 2 201.220 1.687 20 0 BDADLO CCc1cc(N[C@](C)(CC)CO)nc[nH+]1 ZINC000080882644 490659737 /nfs/dbraw/zinc/65/97/37/490659737.db2.gz BOWAHJBTDQEZNG-LLVKDONJSA-N 1 2 209.293 1.612 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826378 491053762 /nfs/dbraw/zinc/05/37/62/491053762.db2.gz FHCAQSWJFQOWMB-NXEZZACHSA-N 1 2 238.335 1.145 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826378 491053763 /nfs/dbraw/zinc/05/37/63/491053763.db2.gz FHCAQSWJFQOWMB-NXEZZACHSA-N 1 2 238.335 1.145 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000661716682 491086147 /nfs/dbraw/zinc/08/61/47/491086147.db2.gz AAWFPRNVWSFUCX-JOYOIKCWSA-N 1 2 222.288 1.194 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000661716682 491086148 /nfs/dbraw/zinc/08/61/48/491086148.db2.gz AAWFPRNVWSFUCX-JOYOIKCWSA-N 1 2 222.288 1.194 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000643251317 491092448 /nfs/dbraw/zinc/09/24/48/491092448.db2.gz SVQQJCWGQCGXAM-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nn(C)cc1Cl ZINC000643251317 491092450 /nfs/dbraw/zinc/09/24/50/491092450.db2.gz SVQQJCWGQCGXAM-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CNC(=O)c1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000228482031 491094615 /nfs/dbraw/zinc/09/46/15/491094615.db2.gz YTZMIMIWJNHQBE-QMMMGPOBSA-N 1 2 242.269 1.789 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)C(F)F)cn1 ZINC000228485557 491095466 /nfs/dbraw/zinc/09/54/66/491095466.db2.gz HVEQZJBESASYHF-SSDOTTSWSA-N 1 2 216.231 1.833 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCOC[C@H]2C)nc1 ZINC000083596187 491097271 /nfs/dbraw/zinc/09/72/71/491097271.db2.gz VJCLIRTVHJDWLP-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccc(C[N@H+]2CCOC[C@H]2C)nc1 ZINC000083596187 491097273 /nfs/dbraw/zinc/09/72/73/491097273.db2.gz VJCLIRTVHJDWLP-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000139079746 491105141 /nfs/dbraw/zinc/10/51/41/491105141.db2.gz SEJHLVVKOZSRSY-SCZZXKLOSA-N 1 2 233.319 1.863 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000667475238 491107212 /nfs/dbraw/zinc/10/72/12/491107212.db2.gz JCOXGACYYIGNFZ-VXGBXAGGSA-N 1 2 249.358 1.829 20 0 BDADLO CN1CC[N@H+](CCC(F)(F)F)C(C)(C)C1=O ZINC000334924328 491122177 /nfs/dbraw/zinc/12/21/77/491122177.db2.gz TYOPOIAPZAHIDL-UHFFFAOYSA-N 1 2 238.253 1.491 20 0 BDADLO CN1CC[N@@H+](CCC(F)(F)F)C(C)(C)C1=O ZINC000334924328 491122179 /nfs/dbraw/zinc/12/21/79/491122179.db2.gz TYOPOIAPZAHIDL-UHFFFAOYSA-N 1 2 238.253 1.491 20 0 BDADLO c1[nH]cc(NCc2ccc3c(c2)CCO3)[nH+]1 ZINC000309351959 491147394 /nfs/dbraw/zinc/14/73/94/491147394.db2.gz NAQGHLDSVZLAOA-UHFFFAOYSA-N 1 2 215.256 1.957 20 0 BDADLO C[C@](CO)([NH2+]Cc1ncccn1)c1ccccc1 ZINC000134325579 491163047 /nfs/dbraw/zinc/16/30/47/491163047.db2.gz XXQZNYOWQWTNNB-CQSZACIVSA-N 1 2 243.310 1.474 20 0 BDADLO CSCC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000890871237 582582032 /nfs/dbraw/zinc/58/20/32/582582032.db2.gz JIBQWIBVBLKBDK-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO CSCC(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000890871237 582582034 /nfs/dbraw/zinc/58/20/34/582582034.db2.gz JIBQWIBVBLKBDK-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO Cc1ccc(CCC(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000471947762 533772984 /nfs/dbraw/zinc/77/29/84/533772984.db2.gz HMJXQCUIJJGRTO-UHFFFAOYSA-N 1 2 247.298 1.603 20 0 BDADLO C[C@@H]1CCC[C@@]1(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493778766 533804026 /nfs/dbraw/zinc/80/40/26/533804026.db2.gz MTZPVJRDTWAJSK-FYDKOMJYSA-N 1 2 249.314 1.090 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC/C=C/Cl)c[nH+]1 ZINC000891197184 582623434 /nfs/dbraw/zinc/62/34/34/582623434.db2.gz GUAXBJFNGXGXKF-SNAWJCMRSA-N 1 2 241.722 1.795 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)C[C@@H]1O ZINC000846841059 582667610 /nfs/dbraw/zinc/66/76/10/582667610.db2.gz VYPQYXOMHGJXFX-XCBNKYQSSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)C[C@@H]1O ZINC000846841059 582667611 /nfs/dbraw/zinc/66/76/11/582667611.db2.gz VYPQYXOMHGJXFX-XCBNKYQSSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H](O)C[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492906473 534095049 /nfs/dbraw/zinc/09/50/49/534095049.db2.gz AUYQKXQILDKWHQ-CKUGJSDZSA-N 1 2 249.314 1.185 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000891581071 582699500 /nfs/dbraw/zinc/69/95/00/582699500.db2.gz UMDWEPAEZAOLQA-UHFFFAOYSA-N 1 2 241.262 1.526 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000891581071 582699501 /nfs/dbraw/zinc/69/95/01/582699501.db2.gz UMDWEPAEZAOLQA-UHFFFAOYSA-N 1 2 241.262 1.526 20 0 BDADLO C[C@@H]1[C@H](CO)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493465321 534254835 /nfs/dbraw/zinc/25/48/35/534254835.db2.gz XCRNZCGBMZCWED-ZJRFNNFUSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCCO1 ZINC000493847167 534275800 /nfs/dbraw/zinc/27/58/00/534275800.db2.gz OXXWXDAYQMUKBA-HMDXOVGESA-N 1 2 235.287 1.060 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccnn1C)c1[nH]cc[nH+]1 ZINC000276359679 517462147 /nfs/dbraw/zinc/46/21/47/517462147.db2.gz AERHFGBFEYGSCR-SNVBAGLBSA-N 1 2 247.302 1.270 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1NCC1CC1 ZINC000555014777 518127835 /nfs/dbraw/zinc/12/78/35/518127835.db2.gz LPJZQZJNQGRNDV-UHFFFAOYSA-N 1 2 233.315 1.915 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000892049542 582775268 /nfs/dbraw/zinc/77/52/68/582775268.db2.gz RYSYKVGJPNMNEZ-NXEZZACHSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000892049542 582775270 /nfs/dbraw/zinc/77/52/70/582775270.db2.gz RYSYKVGJPNMNEZ-NXEZZACHSA-N 1 2 225.288 1.897 20 0 BDADLO CC(C)(C(=O)Nc1nccs1)c1c[nH+]c[nH]1 ZINC000336044590 534385024 /nfs/dbraw/zinc/38/50/24/534385024.db2.gz AHKARXVMRKATQR-UHFFFAOYSA-N 1 2 236.300 1.783 20 0 BDADLO CC(C)(C(=O)Nc1nccs1)c1c[nH]c[nH+]1 ZINC000336044590 534385029 /nfs/dbraw/zinc/38/50/29/534385029.db2.gz AHKARXVMRKATQR-UHFFFAOYSA-N 1 2 236.300 1.783 20 0 BDADLO CC(C)C[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892132093 582797569 /nfs/dbraw/zinc/79/75/69/582797569.db2.gz YBCQBNWNNOELRY-WDEREUQCSA-N 1 2 238.331 1.954 20 0 BDADLO C[C@@H](CNC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000892305673 582833318 /nfs/dbraw/zinc/83/33/18/582833318.db2.gz MYFUMLKMQIXZLF-VIFPVBQESA-N 1 2 236.319 1.265 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000162487709 582849255 /nfs/dbraw/zinc/84/92/55/582849255.db2.gz BXQDKINHKWWRPL-UHFFFAOYSA-N 1 2 224.304 1.362 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000162487709 582849257 /nfs/dbraw/zinc/84/92/57/582849257.db2.gz BXQDKINHKWWRPL-UHFFFAOYSA-N 1 2 224.304 1.362 20 0 BDADLO CC(=O)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000171630880 534725223 /nfs/dbraw/zinc/72/52/23/534725223.db2.gz CXHCLBZIWOTYPN-NSHDSACASA-N 1 2 221.304 1.568 20 0 BDADLO CC(=O)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000171630880 534725227 /nfs/dbraw/zinc/72/52/27/534725227.db2.gz CXHCLBZIWOTYPN-NSHDSACASA-N 1 2 221.304 1.568 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1CS2 ZINC000493121139 534786123 /nfs/dbraw/zinc/78/61/23/534786123.db2.gz RNRDRSOYIXKPHR-XOINZRLQSA-N 1 2 235.312 1.139 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1CCCCC1 ZINC000493297618 534786299 /nfs/dbraw/zinc/78/62/99/534786299.db2.gz SWWKEKVDHGMZRO-VOTSOKGWSA-N 1 2 219.288 1.872 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1F ZINC000493431480 534803848 /nfs/dbraw/zinc/80/38/48/534803848.db2.gz VHWNRLMMBRSRAP-ADRPCIBZSA-N 1 2 237.278 1.820 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(O)cc1F ZINC000493234532 534804523 /nfs/dbraw/zinc/80/45/23/534804523.db2.gz PAYIJRXAEGZVBT-RJRFIUFISA-N 1 2 247.229 1.906 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(=O)[nH]c1 ZINC000492977554 534805245 /nfs/dbraw/zinc/80/52/45/534805245.db2.gz AIKXBMSQENPAIF-RJRFIUFISA-N 1 2 230.227 1.162 20 0 BDADLO Cn1nc(NCc2[nH]cc[nH+]2)cc1OC(F)F ZINC000494448140 534825571 /nfs/dbraw/zinc/82/55/71/534825571.db2.gz VBICOBHXYDZFCJ-UHFFFAOYSA-N 1 2 243.217 1.357 20 0 BDADLO CC(C)(CF)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493838772 527064753 /nfs/dbraw/zinc/06/47/53/527064753.db2.gz SBRCKBPPJNNZNR-ONEGZZNKSA-N 1 2 211.240 1.287 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492688402 527584083 /nfs/dbraw/zinc/58/40/83/527584083.db2.gz JRHSWEGBDZDMHG-WANFKSSISA-N 1 2 231.299 1.446 20 0 BDADLO C/C=C/C=C\C(=O)NCCc1c[nH+]cn1C ZINC000492713580 527603413 /nfs/dbraw/zinc/60/34/13/527603413.db2.gz WMPOWZWWPNJORI-ICWBMWKASA-N 1 2 219.288 1.211 20 0 BDADLO CC(C)C1(NC(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493479385 527616910 /nfs/dbraw/zinc/61/69/10/527616910.db2.gz IYZUBUCIGDACRO-ARJAWSKDSA-N 1 2 219.288 1.728 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493295465 527758435 /nfs/dbraw/zinc/75/84/35/527758435.db2.gz PIAIZACUWCFASO-NWALNABHSA-N 1 2 219.288 1.585 20 0 BDADLO CCC1(NC(=O)/C=C\c2[nH]cc[nH+]2)CCOCC1 ZINC000493587605 527772255 /nfs/dbraw/zinc/77/22/55/527772255.db2.gz LPXOHMBFMJHEDN-ARJAWSKDSA-N 1 2 249.314 1.498 20 0 BDADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000492901017 527933317 /nfs/dbraw/zinc/93/33/17/527933317.db2.gz OQVKGMCODVKLQX-IHWYPQMZSA-N 1 2 249.314 1.356 20 0 BDADLO CCN(CC(C)(C)O)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493738015 527947020 /nfs/dbraw/zinc/94/70/20/527947020.db2.gz IHYMUHGBUHFMTA-AATRIKPKSA-N 1 2 237.303 1.042 20 0 BDADLO CC1(CO)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492904480 527989851 /nfs/dbraw/zinc/98/98/51/527989851.db2.gz WWYKPZHHHMNHIR-NSCUHMNNSA-N 1 2 249.314 1.044 20 0 BDADLO CC(C)c1cc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH][nH]1 ZINC000492856897 528007454 /nfs/dbraw/zinc/00/74/54/528007454.db2.gz CRYFYMFNAIGVNT-ONEGZZNKSA-N 1 2 245.286 1.330 20 0 BDADLO CC1=CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492904663 528096639 /nfs/dbraw/zinc/09/66/39/528096639.db2.gz XMKCCARUUUZROQ-PLNGDYQASA-N 1 2 217.272 1.602 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493719000 528122951 /nfs/dbraw/zinc/12/29/51/528122951.db2.gz HBDZLOKDXCMFFW-HMDXOVGESA-N 1 2 231.299 1.848 20 0 BDADLO CCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000505761065 528417951 /nfs/dbraw/zinc/41/79/51/528417951.db2.gz BSWBBEVXINUIRR-JTQLQIEISA-N 1 2 236.319 1.580 20 0 BDADLO CCO/C=C/C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000493268572 528467260 /nfs/dbraw/zinc/46/72/60/528467260.db2.gz VODXIVCTQQRKFX-FZPLPXEFSA-N 1 2 249.314 1.286 20 0 BDADLO CCO/C=C/C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000493786486 528488622 /nfs/dbraw/zinc/48/86/22/528488622.db2.gz JRSRDDLGSGDRKK-QRJSTWQJSA-N 1 2 223.276 1.527 20 0 BDADLO CCOC=CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000493786486 528488625 /nfs/dbraw/zinc/48/86/25/528488625.db2.gz JRSRDDLGSGDRKK-QRJSTWQJSA-N 1 2 223.276 1.527 20 0 BDADLO CC1(C)CC(=O)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493208430 528878373 /nfs/dbraw/zinc/87/83/73/528878373.db2.gz PULUPUBYYSEZJO-ONEGZZNKSA-N 1 2 233.271 1.003 20 0 BDADLO CC1(C)CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000505576047 528881592 /nfs/dbraw/zinc/88/15/92/528881592.db2.gz FWEBWRMNLCIBOC-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493393555 528907432 /nfs/dbraw/zinc/90/74/32/528907432.db2.gz UCBNSPGAFUBBEZ-AATRIKPKSA-N 1 2 205.261 1.434 20 0 BDADLO CC(C)[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904879 528941558 /nfs/dbraw/zinc/94/15/58/528941558.db2.gz YAEXDWKZMIPXFA-UMCURTJPSA-N 1 2 221.304 1.831 20 0 BDADLO CCOC[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492902928 529022225 /nfs/dbraw/zinc/02/22/25/529022225.db2.gz SEVRNZKVGLEECI-BYCRGOAPSA-N 1 2 249.314 1.308 20 0 BDADLO CC1(C)CC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)O1 ZINC000493256766 529040330 /nfs/dbraw/zinc/04/03/30/529040330.db2.gz ONIWERJSMSHWCN-HMDXOVGESA-N 1 2 249.314 1.497 20 0 BDADLO CC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[C@H]1O ZINC000493665828 529061266 /nfs/dbraw/zinc/06/12/66/529061266.db2.gz UUTPDJFLCWSQTB-HMDXOVGESA-N 1 2 249.314 1.042 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494269051 529118243 /nfs/dbraw/zinc/11/82/43/529118243.db2.gz UODURQPAXFTKAR-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494269051 529118245 /nfs/dbraw/zinc/11/82/45/529118245.db2.gz UODURQPAXFTKAR-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO CC[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858715 529235175 /nfs/dbraw/zinc/23/51/75/529235175.db2.gz FYFUEEAZRVZLGQ-XOULXFPDSA-N 1 2 219.288 1.681 20 0 BDADLO CC[C@@H]1CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493457290 529327668 /nfs/dbraw/zinc/32/76/68/529327668.db2.gz RZWGNQFLPLIXJH-CDAZIORVSA-N 1 2 205.261 1.434 20 0 BDADLO CC[C@@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493681658 529328256 /nfs/dbraw/zinc/32/82/56/529328256.db2.gz CIXBMAMTYIQDMO-UMBAGQNISA-N 1 2 205.261 1.434 20 0 BDADLO CC[C@@H](C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493724697 529338634 /nfs/dbraw/zinc/33/86/34/529338634.db2.gz NFEHJEIJCVKCSQ-VUHVRTRXSA-N 1 2 207.277 1.680 20 0 BDADLO CC1(C)C[C@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000277494258 534932624 /nfs/dbraw/zinc/93/26/24/534932624.db2.gz QSMBUWKQLUOVNE-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO CC1(C)C[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000277494258 534932630 /nfs/dbraw/zinc/93/26/30/534932630.db2.gz QSMBUWKQLUOVNE-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO CCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130124176 535066713 /nfs/dbraw/zinc/06/67/13/535066713.db2.gz ICYYZPTWRFCADE-LLVKDONJSA-N 1 2 235.331 1.752 20 0 BDADLO CC1(CNc2cccc(CO)[nH+]2)CCOCC1 ZINC000351399509 535158986 /nfs/dbraw/zinc/15/89/86/535158986.db2.gz BASJOKRVJMTQDA-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO CCCOCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178350238 535228556 /nfs/dbraw/zinc/22/85/56/535228556.db2.gz FHXMZMXQFDZKGN-UHFFFAOYSA-N 1 2 247.298 1.377 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)C[C@H](C)O ZINC000352220965 535390586 /nfs/dbraw/zinc/39/05/86/535390586.db2.gz KMWMKBSUPHVEQI-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)C[C@H](C)O ZINC000352220965 535390588 /nfs/dbraw/zinc/39/05/88/535390588.db2.gz KMWMKBSUPHVEQI-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@@H+](Cc1ncnn1CC(C)C)C[C@H](C)O ZINC000352195991 535395039 /nfs/dbraw/zinc/39/50/39/535395039.db2.gz VTEKSRAAHPWXCM-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CC[N@H+](Cc1ncnn1CC(C)C)C[C@H](C)O ZINC000352195991 535395043 /nfs/dbraw/zinc/39/50/43/535395043.db2.gz VTEKSRAAHPWXCM-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)C[C@H](C)O ZINC000352214580 535396771 /nfs/dbraw/zinc/39/67/71/535396771.db2.gz ZZALOUWIPJVQSZ-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)C[C@H](C)O ZINC000352214580 535396777 /nfs/dbraw/zinc/39/67/77/535396777.db2.gz ZZALOUWIPJVQSZ-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000336063955 535409528 /nfs/dbraw/zinc/40/95/28/535409528.db2.gz VALDUEFXBMWBHO-VIFPVBQESA-N 1 2 235.331 1.774 20 0 BDADLO CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000336063955 535409531 /nfs/dbraw/zinc/40/95/31/535409531.db2.gz VALDUEFXBMWBHO-VIFPVBQESA-N 1 2 235.331 1.774 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351096134 535432917 /nfs/dbraw/zinc/43/29/17/535432917.db2.gz GPMYTAHQICEFPV-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351096134 535432920 /nfs/dbraw/zinc/43/29/20/535432920.db2.gz GPMYTAHQICEFPV-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCOC(C)C ZINC000184479010 535445126 /nfs/dbraw/zinc/44/51/26/535445126.db2.gz YEBQUWXUSNMGEK-GFCCVEGCSA-N 1 2 245.363 1.979 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349203902 535462455 /nfs/dbraw/zinc/46/24/55/535462455.db2.gz TUOVRZRISUQIHU-VHSXEESVSA-N 1 2 239.319 1.582 20 0 BDADLO CCO[C@H](C)c1nccn1Cc1[nH+]ccn1C ZINC000155668403 535573272 /nfs/dbraw/zinc/57/32/72/535573272.db2.gz UTNRQJYKBANUBO-SNVBAGLBSA-N 1 2 234.303 1.762 20 0 BDADLO CC[C@@H](C)[C@@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000049856708 535669540 /nfs/dbraw/zinc/66/95/40/535669540.db2.gz PJAQEPSTUYWDEX-MWLCHTKSSA-N 1 2 239.319 1.097 20 0 BDADLO CCNC(=O)CNc1[nH+]c2ccccc2n1C ZINC000079044442 535790339 /nfs/dbraw/zinc/79/03/39/535790339.db2.gz YNJMOOVPNNSHMF-UHFFFAOYSA-N 1 2 232.287 1.121 20 0 BDADLO CC[C@@H]([NH2+]CCC(F)(F)F)C(=O)OC ZINC000168351406 535803313 /nfs/dbraw/zinc/80/33/13/535803313.db2.gz NHWYOVWSVSAXMI-ZCFIWIBFSA-N 1 2 213.199 1.480 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccncc1F ZINC000336215605 535835549 /nfs/dbraw/zinc/83/55/49/535835549.db2.gz JUBUBGYRCHVNOF-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccncc1F ZINC000336215605 535835553 /nfs/dbraw/zinc/83/55/53/535835553.db2.gz JUBUBGYRCHVNOF-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1COCCN1Cc1[nH+]cc(C)n1C ZINC000342794155 535835734 /nfs/dbraw/zinc/83/57/34/535835734.db2.gz TYIORUKRQJVOSL-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000336185764 536043998 /nfs/dbraw/zinc/04/39/98/536043998.db2.gz HCZMFFBRKLRMMF-SNVBAGLBSA-N 1 2 236.319 1.360 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000176589254 536064429 /nfs/dbraw/zinc/06/44/29/536064429.db2.gz ORDAODYFIJTHGU-SKDRFNHKSA-N 1 2 221.304 1.505 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000342638005 536066059 /nfs/dbraw/zinc/06/60/59/536066059.db2.gz UJIQOYBBHULQPZ-CABZTGNLSA-N 1 2 221.304 1.804 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351107204 536103060 /nfs/dbraw/zinc/10/30/60/536103060.db2.gz YBBDYVJEUKAJPW-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351107204 536103069 /nfs/dbraw/zinc/10/30/69/536103069.db2.gz YBBDYVJEUKAJPW-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO CCc1nc(N2C[C@H](C)OC[C@H]2C)cc(C)[nH+]1 ZINC000286209030 536126692 /nfs/dbraw/zinc/12/66/92/536126692.db2.gz SCQKPFJAXVVIBB-MNOVXSKESA-N 1 2 235.331 1.961 20 0 BDADLO COC(=O)C[C@H](C)SCCCn1cc[nH+]c1 ZINC000085160693 536339824 /nfs/dbraw/zinc/33/98/24/536339824.db2.gz UGYTWCWQCARIMN-JTQLQIEISA-N 1 2 242.344 1.958 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(C)n1 ZINC000342606013 536427560 /nfs/dbraw/zinc/42/75/60/536427560.db2.gz OOCADFVVOWCQLQ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(C)n1 ZINC000342606013 536427562 /nfs/dbraw/zinc/42/75/62/536427562.db2.gz OOCADFVVOWCQLQ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CO[C@@H]1CCN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000336185269 536671653 /nfs/dbraw/zinc/67/16/53/536671653.db2.gz ONGFBIJVGGPRFX-LLVKDONJSA-N 1 2 249.314 1.951 20 0 BDADLO COCCc1nc(C[NH+]2CCC(C)CC2)no1 ZINC000351342770 536834018 /nfs/dbraw/zinc/83/40/18/536834018.db2.gz RWCABFJQHBDIMJ-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CO[C@H](C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000350059578 536845516 /nfs/dbraw/zinc/84/55/16/536845516.db2.gz LTQLCCRDKHKVFT-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO COc1ccc(NC[C@]2(OC)CCOC2)[nH+]c1 ZINC000234997299 537932784 /nfs/dbraw/zinc/93/27/84/537932784.db2.gz FIIOAZVPHCOAEC-GFCCVEGCSA-N 1 2 238.287 1.308 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccccn1 ZINC000352183676 566430792 /nfs/dbraw/zinc/43/07/92/566430792.db2.gz GZFPUDTUGHXKBV-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccccn1 ZINC000352183676 566430803 /nfs/dbraw/zinc/43/08/03/566430803.db2.gz GZFPUDTUGHXKBV-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CCn1nccc1C[NH2+]Cc1csc(C)n1 ZINC000160055358 566485340 /nfs/dbraw/zinc/48/53/40/566485340.db2.gz VGRLYKLZYBEAOP-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CN(Cc1ccccn1)C(=O)CCc1c[nH+]c[nH]1 ZINC000352145515 566473904 /nfs/dbraw/zinc/47/39/04/566473904.db2.gz AWXUACSSSWOJAJ-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CN(Cc1ccccn1)C(=O)CCc1c[nH]c[nH+]1 ZINC000352145515 566473910 /nfs/dbraw/zinc/47/39/10/566473910.db2.gz AWXUACSSSWOJAJ-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CN(C)c1cc(N2CC[C@@H](C(F)F)C2)nc[nH+]1 ZINC000893683143 583198686 /nfs/dbraw/zinc/19/86/86/583198686.db2.gz ZWFWNTUYFMFZBQ-MRVPVSSYSA-N 1 2 242.273 1.634 20 0 BDADLO CN(C)c1cc(N2CC[C@@H](C(F)F)C2)[nH+]cn1 ZINC000893683143 583198688 /nfs/dbraw/zinc/19/86/88/583198688.db2.gz ZWFWNTUYFMFZBQ-MRVPVSSYSA-N 1 2 242.273 1.634 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000893917798 583247401 /nfs/dbraw/zinc/24/74/01/583247401.db2.gz YAQFTTIJIMJUBL-SNVBAGLBSA-N 1 2 221.304 1.193 20 0 BDADLO Cc1ccnc(N)c1C[N@H+]1CCO[C@H](C)C1 ZINC000893917798 583247403 /nfs/dbraw/zinc/24/74/03/583247403.db2.gz YAQFTTIJIMJUBL-SNVBAGLBSA-N 1 2 221.304 1.193 20 0 BDADLO CCCCC[C@H]([NH2+][C@@H](C)CCO)C(=O)OC ZINC000893955918 583261151 /nfs/dbraw/zinc/26/11/51/583261151.db2.gz VHZQGOQMWKJCRW-QWRGUYRKSA-N 1 2 231.336 1.469 20 0 BDADLO CC/C=C\CNc1cc(N(C)C)nc[nH+]1 ZINC000894045654 583286404 /nfs/dbraw/zinc/28/64/04/583286404.db2.gz ICJGYLLIMPEXLW-WAYWQWQTSA-N 1 2 206.293 1.921 20 0 BDADLO CC/C=C\CNc1cc(N(C)C)[nH+]cn1 ZINC000894045654 583286409 /nfs/dbraw/zinc/28/64/09/583286409.db2.gz ICJGYLLIMPEXLW-WAYWQWQTSA-N 1 2 206.293 1.921 20 0 BDADLO CCc1cc(NC[C@@H]2COCO2)nc(CC)[nH+]1 ZINC000894178291 583328123 /nfs/dbraw/zinc/32/81/23/583328123.db2.gz LLQAYBQYTFBEIH-SNVBAGLBSA-N 1 2 237.303 1.386 20 0 BDADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)c1ccccn1 ZINC000853105913 588720617 /nfs/dbraw/zinc/72/06/17/588720617.db2.gz NOTSLZYHMOXVRG-GHMZBOCLSA-N 1 2 242.269 1.892 20 0 BDADLO Fc1cnc(N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000853243388 588728209 /nfs/dbraw/zinc/72/82/09/588728209.db2.gz FXVUBMCGHGNLMC-UHFFFAOYSA-N 1 2 247.277 1.654 20 0 BDADLO Fc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ncn1 ZINC000853267676 588730189 /nfs/dbraw/zinc/73/01/89/588730189.db2.gz YHQIPFATGMYUKN-SNVBAGLBSA-N 1 2 247.277 1.654 20 0 BDADLO O=c1sccn1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853576776 588749387 /nfs/dbraw/zinc/74/93/87/588749387.db2.gz QRSGFJDGOUBXAN-IUCAKERBSA-N 1 2 210.302 1.209 20 0 BDADLO O=c1sccn1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853576776 588749388 /nfs/dbraw/zinc/74/93/88/588749388.db2.gz QRSGFJDGOUBXAN-IUCAKERBSA-N 1 2 210.302 1.209 20 0 BDADLO Fc1cc(N[C@@H]2CCn3cc[nH+]c32)ncn1 ZINC000853650953 588752315 /nfs/dbraw/zinc/75/23/15/588752315.db2.gz OIBNPKFJNNOVLZ-SSDOTTSWSA-N 1 2 219.223 1.369 20 0 BDADLO CCc1cc(N[C@@H](C)C(OC)OC)nc[nH+]1 ZINC000853681155 588755632 /nfs/dbraw/zinc/75/56/32/588755632.db2.gz ORLZDBRRGVDEKO-QMMMGPOBSA-N 1 2 225.292 1.458 20 0 BDADLO CC(C)c1nc(NC[C@H]2COCO2)cc[nH+]1 ZINC000853687665 588756614 /nfs/dbraw/zinc/75/66/14/588756614.db2.gz YCRDNKQFSRQYGI-VIFPVBQESA-N 1 2 223.276 1.385 20 0 BDADLO CC(C)[C@H](C)O[NH+]=C(N)COC[C@H]1CCOC1 ZINC000853727399 588759802 /nfs/dbraw/zinc/75/98/02/588759802.db2.gz FJEGIKOYNNHQDO-QWRGUYRKSA-N 1 2 244.335 1.582 20 0 BDADLO CC[C@H](C)CO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742938 588760815 /nfs/dbraw/zinc/76/08/15/588760815.db2.gz YZFYWMQMHBRTJF-JTQLQIEISA-N 1 2 244.335 1.727 20 0 BDADLO CC(C)c1nc(NC2([C@@H](C)O)CC2)cc[nH+]1 ZINC000853931064 588769473 /nfs/dbraw/zinc/76/94/73/588769473.db2.gz STZSHBPOOXQUCF-SECBINFHSA-N 1 2 221.304 1.925 20 0 BDADLO C[C@@H](Nc1cnc(F)cn1)c1[nH+]ccn1C ZINC000853966377 588770433 /nfs/dbraw/zinc/77/04/33/588770433.db2.gz BUJRBFGRMXRKIE-SSDOTTSWSA-N 1 2 221.239 1.522 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCc2ccccc21 ZINC000854119852 588775388 /nfs/dbraw/zinc/77/53/88/588775388.db2.gz RHIJCTSRIJOULS-UHFFFAOYSA-N 1 2 241.294 1.932 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)n2ccc(C)n2)n1 ZINC000854132016 588775837 /nfs/dbraw/zinc/77/58/37/588775837.db2.gz HWHXONHSCSWBOO-JTQLQIEISA-N 1 2 249.318 1.488 20 0 BDADLO CC[NH2+]Cc1noc(C2CC3(CC3)C2)n1 ZINC000854132226 588775872 /nfs/dbraw/zinc/77/58/72/588775872.db2.gz PPAFTDHWBYXSKP-UHFFFAOYSA-N 1 2 207.277 1.837 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854456204 588787550 /nfs/dbraw/zinc/78/75/50/588787550.db2.gz MXLDPKCDOYFVSN-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H](C1CC1)C(F)(F)F ZINC000854483002 588789265 /nfs/dbraw/zinc/78/92/65/588789265.db2.gz FGOWVWKFBXWHPW-SECBINFHSA-N 1 2 247.220 1.409 20 0 BDADLO C[N@@H+]1CC[C@H](C(=O)NOc2ccccc2)C1 ZINC000854536972 588791539 /nfs/dbraw/zinc/79/15/39/588791539.db2.gz LLPPPLFLVGZTBB-JTQLQIEISA-N 1 2 220.272 1.048 20 0 BDADLO C[N@H+]1CC[C@H](C(=O)NOc2ccccc2)C1 ZINC000854536972 588791540 /nfs/dbraw/zinc/79/15/40/588791540.db2.gz LLPPPLFLVGZTBB-JTQLQIEISA-N 1 2 220.272 1.048 20 0 BDADLO O=C(CCCF)N[C@@H]1CCn2cc[nH+]c21 ZINC000854685398 588801165 /nfs/dbraw/zinc/80/11/65/588801165.db2.gz KDKISAUIQQNRRG-MRVPVSSYSA-N 1 2 211.240 1.194 20 0 BDADLO CCC(F)(F)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854685239 588801317 /nfs/dbraw/zinc/80/13/17/588801317.db2.gz JRVSCJZOMBJRMJ-ZETCQYMHSA-N 1 2 229.230 1.489 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000854899870 588816083 /nfs/dbraw/zinc/81/60/83/588816083.db2.gz KIXCVTQPUGDYDH-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)nc1C ZINC000854909284 588816482 /nfs/dbraw/zinc/81/64/82/588816482.db2.gz VNMHGDRBIDLHOC-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000854931453 588817112 /nfs/dbraw/zinc/81/71/12/588817112.db2.gz IRBFWQICCNEQJV-NWDGAFQWSA-N 1 2 247.342 1.895 20 0 BDADLO COC1([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000854939053 588817329 /nfs/dbraw/zinc/81/73/29/588817329.db2.gz BGJBSIANJKWSLF-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)nn1C(C)C ZINC000854969493 588819461 /nfs/dbraw/zinc/81/94/61/588819461.db2.gz CSJUOXBNYSHGCR-UHFFFAOYSA-N 1 2 247.302 1.677 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000854986433 588819744 /nfs/dbraw/zinc/81/97/44/588819744.db2.gz QCPTZMPKMBIGHV-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1CCCCO1 ZINC000855134080 588822577 /nfs/dbraw/zinc/82/25/77/588822577.db2.gz CDQISHLYRZBHAJ-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1CCCCO1 ZINC000855134080 588822578 /nfs/dbraw/zinc/82/25/78/588822578.db2.gz CDQISHLYRZBHAJ-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CCCCO1 ZINC000855134081 588823028 /nfs/dbraw/zinc/82/30/28/588823028.db2.gz CDQISHLYRZBHAJ-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CCCCO1 ZINC000855134081 588823029 /nfs/dbraw/zinc/82/30/29/588823029.db2.gz CDQISHLYRZBHAJ-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859155327 582485249 /nfs/dbraw/zinc/48/52/49/582485249.db2.gz ABOXCOVYAMRBLP-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859155327 582485250 /nfs/dbraw/zinc/48/52/50/582485250.db2.gz ABOXCOVYAMRBLP-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO CC[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855390522 588830953 /nfs/dbraw/zinc/83/09/53/588830953.db2.gz SAZDXXUHOAQXEV-SECBINFHSA-N 1 2 209.293 1.505 20 0 BDADLO c1cc(N2CC[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000804687563 582525881 /nfs/dbraw/zinc/52/58/81/582525881.db2.gz BQYCWWMPZUKQSB-ZJUUUORDSA-N 1 2 201.273 1.953 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844460536 582593014 /nfs/dbraw/zinc/59/30/14/582593014.db2.gz XSLZTIKKONXKQD-DTORHVGOSA-N 1 2 225.242 1.482 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844460536 582593016 /nfs/dbraw/zinc/59/30/16/582593016.db2.gz XSLZTIKKONXKQD-DTORHVGOSA-N 1 2 225.242 1.482 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000844463005 582593023 /nfs/dbraw/zinc/59/30/23/582593023.db2.gz PVEADJRUTWQGFW-NJUXHZRNSA-N 1 2 228.246 1.371 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000844463005 582593024 /nfs/dbraw/zinc/59/30/24/582593024.db2.gz PVEADJRUTWQGFW-NJUXHZRNSA-N 1 2 228.246 1.371 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H](C)CO1 ZINC000888976941 582640225 /nfs/dbraw/zinc/64/02/25/582640225.db2.gz IYDTZBDHBYVHIN-BXKDBHETSA-N 1 2 234.299 1.429 20 0 BDADLO CC(=O)c1c(F)cncc1N1CC[NH+](C)CC1 ZINC000891391889 582677044 /nfs/dbraw/zinc/67/70/44/582677044.db2.gz YMSHLZSAHYPTHB-UHFFFAOYSA-N 1 2 237.278 1.175 20 0 BDADLO CC[C@@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891413561 582680895 /nfs/dbraw/zinc/68/08/95/582680895.db2.gz VUONQNLIRFBWLO-BDAKNGLRSA-N 1 2 210.277 1.318 20 0 BDADLO CCc1cc(NC[C@H](C)O)nc(CC)[nH+]1 ZINC000891437965 582685504 /nfs/dbraw/zinc/68/55/04/582685504.db2.gz ZVMCYWDJCBZSMN-QMMMGPOBSA-N 1 2 209.293 1.394 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)CC(=O)N(C)C ZINC000891494241 582693504 /nfs/dbraw/zinc/69/35/04/582693504.db2.gz BAXZTVWJBLMTSG-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)CC(=O)N(C)C ZINC000891494241 582693507 /nfs/dbraw/zinc/69/35/07/582693507.db2.gz BAXZTVWJBLMTSG-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C2CC2)[C@@H](C)CO1 ZINC000891672883 582708788 /nfs/dbraw/zinc/70/87/88/582708788.db2.gz ZBZRDNGYECBPJY-QWRGUYRKSA-N 1 2 235.331 1.827 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000891672236 582708955 /nfs/dbraw/zinc/70/89/55/582708955.db2.gz VHNQLUCPCFFRTR-NXEZZACHSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000891672236 582708957 /nfs/dbraw/zinc/70/89/57/582708957.db2.gz VHNQLUCPCFFRTR-NXEZZACHSA-N 1 2 225.288 1.897 20 0 BDADLO Cc1cc(Br)cc(N[C@H](C)CO)[nH+]1 ZINC000891684450 582710278 /nfs/dbraw/zinc/71/02/78/582710278.db2.gz MBKLSRJJGLJDNU-SSDOTTSWSA-N 1 2 245.120 1.945 20 0 BDADLO C[C@H](O)c1cccc(NC[C@H](O)c2ccco2)[nH+]1 ZINC000891778289 582718902 /nfs/dbraw/zinc/71/89/02/582718902.db2.gz LYGINYPGSKCIJS-ONGXEEELSA-N 1 2 248.282 1.873 20 0 BDADLO C[C@H]1C[C@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000891825895 582727532 /nfs/dbraw/zinc/72/75/32/582727532.db2.gz MOTQEHUZEFWSMZ-IUCAKERBSA-N 1 2 206.293 1.611 20 0 BDADLO C[C@H]1C[C@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000891825895 582727534 /nfs/dbraw/zinc/72/75/34/582727534.db2.gz MOTQEHUZEFWSMZ-IUCAKERBSA-N 1 2 206.293 1.611 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCn2cnnc2C1 ZINC000891976811 582751084 /nfs/dbraw/zinc/75/10/84/582751084.db2.gz QXEVOJNNGAHIIH-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCn2cnnc2C1 ZINC000891976811 582751085 /nfs/dbraw/zinc/75/10/85/582751085.db2.gz QXEVOJNNGAHIIH-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)cnc1F ZINC000892012270 582760721 /nfs/dbraw/zinc/76/07/21/582760721.db2.gz MWOMNYYIRPCJML-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)cnc1F ZINC000892012270 582760722 /nfs/dbraw/zinc/76/07/22/582760722.db2.gz MWOMNYYIRPCJML-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1nccn1C1CC1 ZINC000892031758 582766806 /nfs/dbraw/zinc/76/68/06/582766806.db2.gz OCCXFSFBDBJBJD-UHFFFAOYSA-N 1 2 245.330 1.547 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1nccn1C1CC1 ZINC000892031758 582766808 /nfs/dbraw/zinc/76/68/08/582766808.db2.gz OCCXFSFBDBJBJD-UHFFFAOYSA-N 1 2 245.330 1.547 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCC2CCC2)c1 ZINC000892046712 582771538 /nfs/dbraw/zinc/77/15/38/582771538.db2.gz WNEJVXPIVKGYQB-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccnn1C1CCC1 ZINC000892050605 582775622 /nfs/dbraw/zinc/77/56/22/582775622.db2.gz WLNMRINLLCBQAH-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccnn1C1CCC1 ZINC000892050605 582775625 /nfs/dbraw/zinc/77/56/25/582775625.db2.gz WLNMRINLLCBQAH-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)cnc1F ZINC000892050021 582775784 /nfs/dbraw/zinc/77/57/84/582775784.db2.gz PEPNDCUIPWDEBW-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)cnc1F ZINC000892050021 582775785 /nfs/dbraw/zinc/77/57/85/582775785.db2.gz PEPNDCUIPWDEBW-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO c1cn(C2CC2)c(CN2CCOC3(CCC3)C2)[nH+]1 ZINC000892104860 582792545 /nfs/dbraw/zinc/79/25/45/582792545.db2.gz HCFJSPWPCKWBER-UHFFFAOYSA-N 1 2 247.342 1.973 20 0 BDADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892253504 582813829 /nfs/dbraw/zinc/81/38/29/582813829.db2.gz CSWZISYVDXREHW-VIFPVBQESA-N 1 2 202.261 1.576 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000781605572 582863497 /nfs/dbraw/zinc/86/34/97/582863497.db2.gz DYPCSWXVIXBYDW-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO CCc1cc(N2CC(=O)N(C)C[C@@H]2C)nc(C)[nH+]1 ZINC000782399756 582896993 /nfs/dbraw/zinc/89/69/93/582896993.db2.gz QTUQOSAGMVPUGR-VIFPVBQESA-N 1 2 248.330 1.014 20 0 BDADLO C[C@H](O)c1cccc(NC[C@@]2(C)CCOC2)[nH+]1 ZINC000892510328 582902266 /nfs/dbraw/zinc/90/22/66/582902266.db2.gz KMEOWGFHDDCVTN-GXFFZTMASA-N 1 2 236.315 1.973 20 0 BDADLO CCc1cc(N(C)Cc2ncc[nH]2)nc(CC)[nH+]1 ZINC000892560563 582914237 /nfs/dbraw/zinc/91/42/37/582914237.db2.gz XIRWGRHMUFFTTA-UHFFFAOYSA-N 1 2 245.330 1.961 20 0 BDADLO CCC1(O)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892697512 582958206 /nfs/dbraw/zinc/95/82/06/582958206.db2.gz UQDPCLXGXIXUOJ-UHFFFAOYSA-N 1 2 246.314 1.471 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851807528 582968194 /nfs/dbraw/zinc/96/81/94/582968194.db2.gz ABNQNBASGNPBLX-LLVKDONJSA-N 1 2 225.292 1.317 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851807528 582968196 /nfs/dbraw/zinc/96/81/96/582968196.db2.gz ABNQNBASGNPBLX-LLVKDONJSA-N 1 2 225.292 1.317 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277033 588866607 /nfs/dbraw/zinc/86/66/07/588866607.db2.gz GJISYGMUWAJBDW-QRJSTWQJSA-N 1 2 207.277 1.564 20 0 BDADLO C[C@@H](NC(=O)C1(F)CCCC1)c1[nH+]ccn1C ZINC000856281132 588866887 /nfs/dbraw/zinc/86/68/87/588866887.db2.gz LZPWHNIGWMUQKA-SECBINFHSA-N 1 2 239.294 1.880 20 0 BDADLO CNc1cc(NC[C@H](OC)C(C)(C)C)[nH+]cn1 ZINC000892755803 582976788 /nfs/dbraw/zinc/97/67/88/582976788.db2.gz QCGMLTPGGQSNOM-VIFPVBQESA-N 1 2 238.335 1.991 20 0 BDADLO C[C@H](NC(=O)/C=C/[C@@H]1CCOC1)c1[nH+]ccn1C ZINC000856280180 588867016 /nfs/dbraw/zinc/86/70/16/588867016.db2.gz KFXTWYAQDPAKQM-MJKAUQOVSA-N 1 2 249.314 1.190 20 0 BDADLO C[C@@H](NC(=O)CSC(F)F)c1[nH+]ccn1C ZINC000856281058 588867018 /nfs/dbraw/zinc/86/70/18/588867018.db2.gz LGHSIDBPPJEPHP-ZCFIWIBFSA-N 1 2 249.286 1.553 20 0 BDADLO CN(C)c1cc(N(C)Cc2nccs2)nc[nH+]1 ZINC000892766878 582978326 /nfs/dbraw/zinc/97/83/26/582978326.db2.gz DDBPPKLBIFGLIZ-UHFFFAOYSA-N 1 2 249.343 1.636 20 0 BDADLO CN(C)c1cc(N(C)Cc2nccs2)[nH+]cn1 ZINC000892766878 582978329 /nfs/dbraw/zinc/97/83/29/582978329.db2.gz DDBPPKLBIFGLIZ-UHFFFAOYSA-N 1 2 249.343 1.636 20 0 BDADLO CCCN(CC)c1cc(N(C)C)[nH+]cn1 ZINC000892787790 582981800 /nfs/dbraw/zinc/98/18/00/582981800.db2.gz ZLNSCYWOQDALJF-UHFFFAOYSA-N 1 2 208.309 1.779 20 0 BDADLO CCCN(CC)c1cc(N(C)C)nc[nH+]1 ZINC000892787790 582981803 /nfs/dbraw/zinc/98/18/03/582981803.db2.gz ZLNSCYWOQDALJF-UHFFFAOYSA-N 1 2 208.309 1.779 20 0 BDADLO CN(C)c1cc(NCC2(C)CC2)[nH+]cn1 ZINC000892795400 582985019 /nfs/dbraw/zinc/98/50/19/582985019.db2.gz KMJDHJLWYXEDEI-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CN(C)c1cc(NCC2(C)CC2)nc[nH+]1 ZINC000892795400 582985020 /nfs/dbraw/zinc/98/50/20/582985020.db2.gz KMJDHJLWYXEDEI-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)[C@@H]1C ZINC000892799531 582985571 /nfs/dbraw/zinc/98/55/71/582985571.db2.gz FDTUNAILCYCHSV-NXEZZACHSA-N 1 2 216.288 1.964 20 0 BDADLO CNc1cc(N[C@H](C)Cc2ccncc2)nc[nH+]1 ZINC000892832032 582990365 /nfs/dbraw/zinc/99/03/65/582990365.db2.gz LZRWYLOVWLHIJU-SNVBAGLBSA-N 1 2 243.314 1.956 20 0 BDADLO CNc1cc(N[C@H](C)Cc2ccncc2)[nH+]cn1 ZINC000892832032 582990366 /nfs/dbraw/zinc/99/03/66/582990366.db2.gz LZRWYLOVWLHIJU-SNVBAGLBSA-N 1 2 243.314 1.956 20 0 BDADLO CC(C)[C@@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892846817 582995240 /nfs/dbraw/zinc/99/52/40/582995240.db2.gz TYPFGVKXNMAJCU-GXSJLCMTSA-N 1 2 224.304 1.564 20 0 BDADLO CCc1cc(N(CCO)C(C)C)nc(CC)[nH+]1 ZINC000892878105 583001495 /nfs/dbraw/zinc/00/14/95/583001495.db2.gz PWCLRZSAKMZCNQ-UHFFFAOYSA-N 1 2 237.347 1.809 20 0 BDADLO CCc1cc(NC2(CO)CC2)nc(CC)[nH+]1 ZINC000892956837 583019392 /nfs/dbraw/zinc/01/93/92/583019392.db2.gz YOJSSKALIFVXQV-UHFFFAOYSA-N 1 2 221.304 1.538 20 0 BDADLO Cc1cc(C[NH2+]Cc2cocn2)cnc1F ZINC000892977543 583024750 /nfs/dbraw/zinc/02/47/50/583024750.db2.gz RIWMSJMZFBVUEH-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893126133 583053140 /nfs/dbraw/zinc/05/31/40/583053140.db2.gz ICCQKECDZJBPME-UTLUCORTSA-N 1 2 224.304 1.706 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893128859 583054035 /nfs/dbraw/zinc/05/40/35/583054035.db2.gz ZEZGZOBGUJBNJG-IUCAKERBSA-N 1 2 224.308 1.114 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893128859 583054036 /nfs/dbraw/zinc/05/40/36/583054036.db2.gz ZEZGZOBGUJBNJG-IUCAKERBSA-N 1 2 224.308 1.114 20 0 BDADLO CCn1cc(CNc2c[nH+]ccc2OC)nn1 ZINC000893197852 583069364 /nfs/dbraw/zinc/06/93/64/583069364.db2.gz PWYNSOVVZRNESZ-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO C[C@H](CC(=O)N[C@H]1C=CCC1)n1cc[nH+]c1 ZINC000855433455 583105312 /nfs/dbraw/zinc/10/53/12/583105312.db2.gz GANSNURPVOLONW-MNOVXSKESA-N 1 2 219.288 1.669 20 0 BDADLO COCC(C)(C)CC(=O)OCCn1cc[nH+]c1 ZINC000840592699 583105901 /nfs/dbraw/zinc/10/59/01/583105901.db2.gz VSHOGURAPRPCPF-UHFFFAOYSA-N 1 2 240.303 1.489 20 0 BDADLO Cc1nc2ccccn2c1C[NH2+]Cc1cocn1 ZINC000397731871 583108052 /nfs/dbraw/zinc/10/80/52/583108052.db2.gz AKBDYTQZQLNSCL-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)c1ncn(C)n1 ZINC000893367391 583127012 /nfs/dbraw/zinc/12/70/12/583127012.db2.gz LNRJWEDPFWHXBC-BDAKNGLRSA-N 1 2 247.302 1.437 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)C1CCC1 ZINC000893517317 583155595 /nfs/dbraw/zinc/15/55/95/583155595.db2.gz PUTWPNKKZXQZOV-JTQLQIEISA-N 1 2 220.272 1.980 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1cccnc1 ZINC000893515400 583155765 /nfs/dbraw/zinc/15/57/65/583155765.db2.gz GVVSEHWWGHNUHX-LLVKDONJSA-N 1 2 243.266 1.888 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)C12CC(C1)C2 ZINC000893533359 583158359 /nfs/dbraw/zinc/15/83/59/583158359.db2.gz IOSJFZSSOKQHJD-RUETXSTFSA-N 1 2 232.283 1.980 20 0 BDADLO Cc1cnc(Cl)c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000893570754 583165261 /nfs/dbraw/zinc/16/52/61/583165261.db2.gz HZPRLCXVYQXHSA-UHFFFAOYSA-N 1 2 240.734 1.999 20 0 BDADLO Cc1cnc(Cl)c(C[N@H+](C)C2CC(O)C2)c1 ZINC000893570754 583165262 /nfs/dbraw/zinc/16/52/62/583165262.db2.gz HZPRLCXVYQXHSA-UHFFFAOYSA-N 1 2 240.734 1.999 20 0 BDADLO C[C@@]1(O)CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000893601077 583171139 /nfs/dbraw/zinc/17/11/39/583171139.db2.gz YBLWXNFWNKPEPV-CYBMUJFWSA-N 1 2 246.314 1.471 20 0 BDADLO Cn1cc(C[N@H+](C)[C@@H]2CCOC2)c(Cl)n1 ZINC000857017357 588882134 /nfs/dbraw/zinc/88/21/34/588882134.db2.gz KCTVCNQXVPUCDD-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1cc(C[N@@H+](C)[C@@H]2CCOC2)c(Cl)n1 ZINC000857017357 588882135 /nfs/dbraw/zinc/88/21/35/588882135.db2.gz KCTVCNQXVPUCDD-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ocnc1C ZINC000893863681 583234324 /nfs/dbraw/zinc/23/43/24/583234324.db2.gz KWTZLWDNFQUGBL-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ocnc1C ZINC000893863681 583234327 /nfs/dbraw/zinc/23/43/27/583234327.db2.gz KWTZLWDNFQUGBL-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CSc1ccc(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000893902513 583243085 /nfs/dbraw/zinc/24/30/85/583243085.db2.gz QOMBIECJTAAUBZ-UHFFFAOYSA-N 1 2 242.344 1.697 20 0 BDADLO CSc1ccc(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000893902513 583243088 /nfs/dbraw/zinc/24/30/88/583243088.db2.gz QOMBIECJTAAUBZ-UHFFFAOYSA-N 1 2 242.344 1.697 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)co1 ZINC000893917979 583247507 /nfs/dbraw/zinc/24/75/07/583247507.db2.gz FFGOHRBFZCHJRD-NSHDSACASA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)co1 ZINC000893917979 583247509 /nfs/dbraw/zinc/24/75/09/583247509.db2.gz FFGOHRBFZCHJRD-NSHDSACASA-N 1 2 223.272 1.725 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)ccnc2N)CCO1 ZINC000893920567 583247839 /nfs/dbraw/zinc/24/78/39/583247839.db2.gz SEJPNQZLUJYDCK-NSHDSACASA-N 1 2 235.331 1.583 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)ccnc2N)CCO1 ZINC000893920567 583247842 /nfs/dbraw/zinc/24/78/42/583247842.db2.gz SEJPNQZLUJYDCK-NSHDSACASA-N 1 2 235.331 1.583 20 0 BDADLO Cc1[nH]nc(CN2CC[NH+](C3CC3)CC2)c1C ZINC000893923189 583248591 /nfs/dbraw/zinc/24/85/91/583248591.db2.gz KSWCMKGXBNVSGX-UHFFFAOYSA-N 1 2 234.347 1.307 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1[nH]nc(C)c1C ZINC000893961777 583256262 /nfs/dbraw/zinc/25/62/62/583256262.db2.gz IVSDBAASGXOOFQ-UHFFFAOYSA-N 1 2 238.335 1.114 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1[nH]nc(C)c1C ZINC000893961777 583256264 /nfs/dbraw/zinc/25/62/64/583256264.db2.gz IVSDBAASGXOOFQ-UHFFFAOYSA-N 1 2 238.335 1.114 20 0 BDADLO Cc1noc2ncc(C[N@H+]3CCOC[C@H]3C)cc12 ZINC000893962194 583257982 /nfs/dbraw/zinc/25/79/82/583257982.db2.gz JIHFVENSTKYUJH-SECBINFHSA-N 1 2 247.298 1.752 20 0 BDADLO Cc1noc2ncc(C[N@@H+]3CCOC[C@H]3C)cc12 ZINC000893962194 583257985 /nfs/dbraw/zinc/25/79/85/583257985.db2.gz JIHFVENSTKYUJH-SECBINFHSA-N 1 2 247.298 1.752 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000893952107 583260177 /nfs/dbraw/zinc/26/01/77/583260177.db2.gz AULPYMMCSFQJBD-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000893952107 583260178 /nfs/dbraw/zinc/26/01/78/583260178.db2.gz AULPYMMCSFQJBD-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000893950664 583260434 /nfs/dbraw/zinc/26/04/34/583260434.db2.gz KZOCYNZYVNVBPI-CFGSLIKFSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)[C@@H](NCc1[nH+]ccn1C1CC1)C1CC1 ZINC000893950338 583260720 /nfs/dbraw/zinc/26/07/20/583260720.db2.gz AULMWLCYAKDHIK-LBPRGKRZSA-N 1 2 249.314 1.259 20 0 BDADLO COC[C@@H]([NH2+]CCCCC(C)C)C(=O)OC ZINC000893951473 583260835 /nfs/dbraw/zinc/26/08/35/583260835.db2.gz PFOBMVAPGNGQPD-LLVKDONJSA-N 1 2 231.336 1.590 20 0 BDADLO CCCCC[C@@H]([NH2+][C@@H](C)CCO)C(=O)OC ZINC000893955919 583261689 /nfs/dbraw/zinc/26/16/89/583261689.db2.gz VHZQGOQMWKJCRW-WDEREUQCSA-N 1 2 231.336 1.469 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)Cc2cnccn2)c1C ZINC000893978574 583265851 /nfs/dbraw/zinc/26/58/51/583265851.db2.gz SUWFHNCYESESTE-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)Cc2cnccn2)c1C ZINC000893978574 583265854 /nfs/dbraw/zinc/26/58/54/583265854.db2.gz SUWFHNCYESESTE-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000893976632 583265902 /nfs/dbraw/zinc/26/59/02/583265902.db2.gz VRWCDFLNRIPKAJ-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000893976632 583265903 /nfs/dbraw/zinc/26/59/03/583265903.db2.gz VRWCDFLNRIPKAJ-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CNc1cc(N2CCC[C@@](C)(F)C2)nc[nH+]1 ZINC000894006737 583270040 /nfs/dbraw/zinc/27/00/40/583270040.db2.gz XHBLPFDGZWVOKO-LLVKDONJSA-N 1 2 224.283 1.847 20 0 BDADLO CNc1cc(N2CCC[C@@](C)(F)C2)[nH+]cn1 ZINC000894006737 583270043 /nfs/dbraw/zinc/27/00/43/583270043.db2.gz XHBLPFDGZWVOKO-LLVKDONJSA-N 1 2 224.283 1.847 20 0 BDADLO COCc1nccc(NCc2ccc[nH+]c2N)n1 ZINC000894051405 583286871 /nfs/dbraw/zinc/28/68/71/583286871.db2.gz JACSESSHTQADPL-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)C(F)F ZINC000894045995 583287494 /nfs/dbraw/zinc/28/74/94/583287494.db2.gz SIUBKFHRVCXRPF-MRVPVSSYSA-N 1 2 231.246 1.433 20 0 BDADLO Cc1cc(F)ncc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894090696 583298505 /nfs/dbraw/zinc/29/85/05/583298505.db2.gz NMEBNKUJXDLFHP-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO C[C@H](O)c1cccc(N2CC[C@@H](O)[C@H]2C)[nH+]1 ZINC000894106367 583306830 /nfs/dbraw/zinc/30/68/30/583306830.db2.gz YQRFTIRGMGXKJE-WCABBAIRSA-N 1 2 222.288 1.094 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000894178218 583328775 /nfs/dbraw/zinc/32/87/75/583328775.db2.gz JDPCQGMWSWUXAO-TTXORMCVSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1cc(F)cc2c1C[N@H+](CN1CCC1=O)CC2 ZINC000857235779 588900066 /nfs/dbraw/zinc/90/00/66/588900066.db2.gz UYSRHSLJLZZRQL-UHFFFAOYSA-N 1 2 248.301 1.682 20 0 BDADLO Cc1cc(F)cc2c1C[N@@H+](CN1CCC1=O)CC2 ZINC000857235779 588900067 /nfs/dbraw/zinc/90/00/67/588900067.db2.gz UYSRHSLJLZZRQL-UHFFFAOYSA-N 1 2 248.301 1.682 20 0 BDADLO O=C1C[N@H+](Cc2ccccc2F)CCCN1 ZINC000726789956 583374680 /nfs/dbraw/zinc/37/46/80/583374680.db2.gz LLJQQGXGCJWJGG-UHFFFAOYSA-N 1 2 222.263 1.148 20 0 BDADLO O=C1C[N@@H+](Cc2ccccc2F)CCCN1 ZINC000726789956 583374684 /nfs/dbraw/zinc/37/46/84/583374684.db2.gz LLJQQGXGCJWJGG-UHFFFAOYSA-N 1 2 222.263 1.148 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493572 583375755 /nfs/dbraw/zinc/37/57/55/583375755.db2.gz PSTSTFGBMNPSTD-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493572 583375756 /nfs/dbraw/zinc/37/57/56/583375756.db2.gz PSTSTFGBMNPSTD-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO FCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000894222429 583382914 /nfs/dbraw/zinc/38/29/14/583382914.db2.gz PLXOTIXXYARMAV-UHFFFAOYSA-N 1 2 201.270 1.475 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@@H](C)OC ZINC000857280515 588902480 /nfs/dbraw/zinc/90/24/80/588902480.db2.gz LVKJECYGHGJJNH-NXEZZACHSA-N 1 2 239.319 1.505 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000878651656 583388709 /nfs/dbraw/zinc/38/87/09/583388709.db2.gz CHTXZDSIGYJRBH-WDEREUQCSA-N 1 2 233.315 1.669 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000878651656 583388711 /nfs/dbraw/zinc/38/87/11/583388711.db2.gz CHTXZDSIGYJRBH-WDEREUQCSA-N 1 2 233.315 1.669 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1)CN1CCC1=O ZINC000857228893 588896454 /nfs/dbraw/zinc/89/64/54/588896454.db2.gz GUFNPNWVIJJMPJ-UHFFFAOYSA-N 1 2 222.263 1.447 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1)CN1CCC1=O ZINC000857228893 588896456 /nfs/dbraw/zinc/89/64/56/588896456.db2.gz GUFNPNWVIJJMPJ-UHFFFAOYSA-N 1 2 222.263 1.447 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000894282041 583409416 /nfs/dbraw/zinc/40/94/16/583409416.db2.gz XANLJSYKFRQBNB-NSHDSACASA-N 1 2 229.251 1.195 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000894282041 583409418 /nfs/dbraw/zinc/40/94/18/583409418.db2.gz XANLJSYKFRQBNB-NSHDSACASA-N 1 2 229.251 1.195 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cnsn2)C1 ZINC000879325092 583425148 /nfs/dbraw/zinc/42/51/48/583425148.db2.gz LCAFHCNCJPWDQT-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cnsn2)C1 ZINC000879325092 583425151 /nfs/dbraw/zinc/42/51/51/583425151.db2.gz LCAFHCNCJPWDQT-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO Cc1ncsc1C[N@H+](C)CN1CCC1=O ZINC000857233147 588898330 /nfs/dbraw/zinc/89/83/30/588898330.db2.gz XUSICPGSDBLPES-UHFFFAOYSA-N 1 2 225.317 1.073 20 0 BDADLO Cc1ncsc1C[N@@H+](C)CN1CCC1=O ZINC000857233147 588898331 /nfs/dbraw/zinc/89/83/31/588898331.db2.gz XUSICPGSDBLPES-UHFFFAOYSA-N 1 2 225.317 1.073 20 0 BDADLO O=C1CCN1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000857235060 588898629 /nfs/dbraw/zinc/89/86/29/588898629.db2.gz YFWOOUCZMIVJPG-UHFFFAOYSA-N 1 2 234.221 1.371 20 0 BDADLO O=C1CCN1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000857235060 588898630 /nfs/dbraw/zinc/89/86/30/588898630.db2.gz YFWOOUCZMIVJPG-UHFFFAOYSA-N 1 2 234.221 1.371 20 0 BDADLO CCc1cc(NCc2nc(C)cc(=O)[nH]2)nc[nH+]1 ZINC000894376080 583441724 /nfs/dbraw/zinc/44/17/24/583441724.db2.gz CIGJBEQVBDEGPB-UHFFFAOYSA-N 1 2 245.286 1.455 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2CCC2=O)c1 ZINC000857235209 588899100 /nfs/dbraw/zinc/89/91/00/588899100.db2.gz PWDLUMIWJHOPBU-UHFFFAOYSA-N 1 2 221.304 1.130 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2CCC2=O)c1 ZINC000857235209 588899101 /nfs/dbraw/zinc/89/91/01/588899101.db2.gz PWDLUMIWJHOPBU-UHFFFAOYSA-N 1 2 221.304 1.130 20 0 BDADLO CC(C)=CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000894394174 583447171 /nfs/dbraw/zinc/44/71/71/583447171.db2.gz JBMPWKZUAWXGCD-UHFFFAOYSA-N 1 2 222.292 1.186 20 0 BDADLO C[N@H+](CCC(N)=O)Cc1nc(C(C)(C)C)co1 ZINC000894432987 583458493 /nfs/dbraw/zinc/45/84/93/583458493.db2.gz YOPOTUYALGAXHD-UHFFFAOYSA-N 1 2 239.319 1.279 20 0 BDADLO C[N@@H+](CCC(N)=O)Cc1nc(C(C)(C)C)co1 ZINC000894432987 583458494 /nfs/dbraw/zinc/45/84/94/583458494.db2.gz YOPOTUYALGAXHD-UHFFFAOYSA-N 1 2 239.319 1.279 20 0 BDADLO Cc1ncoc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000894452760 583463534 /nfs/dbraw/zinc/46/35/34/583463534.db2.gz HBQCRRVBUWCPRB-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncoc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000894452760 583463535 /nfs/dbraw/zinc/46/35/35/583463535.db2.gz HBQCRRVBUWCPRB-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)nc1 ZINC000894468308 583468683 /nfs/dbraw/zinc/46/86/83/583468683.db2.gz VGUFRMIOHPEEMB-QMMMGPOBSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1ncoc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000894475186 583469685 /nfs/dbraw/zinc/46/96/85/583469685.db2.gz LMKSNTYOXXAOKI-JTQLQIEISA-N 1 2 236.271 1.789 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000894488115 583470486 /nfs/dbraw/zinc/47/04/86/583470486.db2.gz SYFNGIXRTFWVAL-MNOVXSKESA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000894488115 583470488 /nfs/dbraw/zinc/47/04/88/583470488.db2.gz SYFNGIXRTFWVAL-MNOVXSKESA-N 1 2 223.320 1.507 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000894497876 583473177 /nfs/dbraw/zinc/47/31/77/583473177.db2.gz QIXRFZNNEJHJSX-PWSUYJOCSA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000894497876 583473178 /nfs/dbraw/zinc/47/31/78/583473178.db2.gz QIXRFZNNEJHJSX-PWSUYJOCSA-N 1 2 237.347 1.736 20 0 BDADLO CCN1CCC[N@H+](Cc2cc(C)co2)CC1=O ZINC000894538468 583479717 /nfs/dbraw/zinc/47/97/17/583479717.db2.gz QREIQRKBVLZYRP-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO CCN1CCC[N@@H+](Cc2cc(C)co2)CC1=O ZINC000894538468 583479719 /nfs/dbraw/zinc/47/97/19/583479719.db2.gz QREIQRKBVLZYRP-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000894538798 583480151 /nfs/dbraw/zinc/48/01/51/583480151.db2.gz MAVPNGLHKJJVSV-UWVGGRQHSA-N 1 2 223.320 1.488 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000894538798 583480153 /nfs/dbraw/zinc/48/01/53/583480153.db2.gz MAVPNGLHKJJVSV-UWVGGRQHSA-N 1 2 223.320 1.488 20 0 BDADLO CCOC(=O)[C@H](C)NCc1[nH]cc(C(C)C)[nH+]1 ZINC000894539847 583480973 /nfs/dbraw/zinc/48/09/73/583480973.db2.gz XRCIAFHNYKEKGW-VIFPVBQESA-N 1 2 239.319 1.574 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H](C)C1O ZINC000894545351 583481590 /nfs/dbraw/zinc/48/15/90/583481590.db2.gz UZSZHIQZYZXSTA-NXEZZACHSA-N 1 2 246.314 1.182 20 0 BDADLO C[C@@H](O)c1cccc(N2CCC[C@@H]2[C@@H](C)O)[nH+]1 ZINC000894573451 583486950 /nfs/dbraw/zinc/48/69/50/583486950.db2.gz YFQCJUYHYJOSDB-CKYFFXLPSA-N 1 2 236.315 1.485 20 0 BDADLO Cc1coc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000894662298 583501132 /nfs/dbraw/zinc/50/11/32/583501132.db2.gz KSTBSJWXCYWYCQ-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1coc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000894662298 583501134 /nfs/dbraw/zinc/50/11/34/583501134.db2.gz KSTBSJWXCYWYCQ-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO Cn1ncc(C[N@H+](C2CC2)C2COC2)c1C1CC1 ZINC000894659496 583504501 /nfs/dbraw/zinc/50/45/01/583504501.db2.gz TXVOEDLPLKYHNF-UHFFFAOYSA-N 1 2 247.342 1.661 20 0 BDADLO Cn1ncc(C[N@@H+](C2CC2)C2COC2)c1C1CC1 ZINC000894659496 583504502 /nfs/dbraw/zinc/50/45/02/583504502.db2.gz TXVOEDLPLKYHNF-UHFFFAOYSA-N 1 2 247.342 1.661 20 0 BDADLO COc1ccc(C[NH2+]Cc2conc2C)o1 ZINC000894696560 583510188 /nfs/dbraw/zinc/51/01/88/583510188.db2.gz DIGJAPSJSGINAM-UHFFFAOYSA-N 1 2 222.244 1.874 20 0 BDADLO Cc1nn(C)c(C[N@H+]2CC[C@@H](O)[C@H]2C)c1Cl ZINC000894754601 583516235 /nfs/dbraw/zinc/51/62/35/583516235.db2.gz YACVEPNQYHFJBN-PSASIEDQSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1Cl ZINC000894754601 583516236 /nfs/dbraw/zinc/51/62/36/583516236.db2.gz YACVEPNQYHFJBN-PSASIEDQSA-N 1 2 243.738 1.337 20 0 BDADLO CCc1cc(NC[C@H]2C[C@@H](O)C2)nc(CC)[nH+]1 ZINC000894775401 583518428 /nfs/dbraw/zinc/51/84/28/583518428.db2.gz LPSZWWXBPVAIRM-JGZJWPJOSA-N 1 2 235.331 1.784 20 0 BDADLO CCCC[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806380 583522710 /nfs/dbraw/zinc/52/27/10/583522710.db2.gz OXUQCXOILXMEDW-SNVBAGLBSA-N 1 2 238.335 1.165 20 0 BDADLO CCCC[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806380 583522712 /nfs/dbraw/zinc/52/27/12/583522712.db2.gz OXUQCXOILXMEDW-SNVBAGLBSA-N 1 2 238.335 1.165 20 0 BDADLO CCc1onc(C)c1C[NH+]1CC(OC)C1 ZINC000894818269 583524105 /nfs/dbraw/zinc/52/41/05/583524105.db2.gz AWKKJVCGRBBQAB-UHFFFAOYSA-N 1 2 210.277 1.376 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2c3c(nn2C)CCC3)C1 ZINC000894823100 583525503 /nfs/dbraw/zinc/52/55/03/583525503.db2.gz WVBMRZCYXYGCHE-UHFFFAOYSA-N 1 2 249.358 1.112 20 0 BDADLO CCOc1ccc(C[NH+]2CC(O)(C(C)C)C2)o1 ZINC000894822435 583525618 /nfs/dbraw/zinc/52/56/18/583525618.db2.gz RERRZMFIUUNVKH-UHFFFAOYSA-N 1 2 239.315 1.881 20 0 BDADLO COc1ccc(C[NH+]2CC(O)(C(C)C)C2)o1 ZINC000894821899 583525653 /nfs/dbraw/zinc/52/56/53/583525653.db2.gz KQHNNKYVYZWILG-UHFFFAOYSA-N 1 2 225.288 1.491 20 0 BDADLO Cc1cc(F)ncc1C[NH+]1CC(C)(CO)C1 ZINC000894841350 583529846 /nfs/dbraw/zinc/52/98/46/583529846.db2.gz SVLCREHFWRRQLG-UHFFFAOYSA-N 1 2 224.279 1.343 20 0 BDADLO COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@H](F)C2)C1(F)F ZINC000894873824 583541239 /nfs/dbraw/zinc/54/12/39/583541239.db2.gz KLIKYMWZRPYCGZ-FXQIFTODSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@H](F)C2)C1(F)F ZINC000894873824 583541241 /nfs/dbraw/zinc/54/12/41/583541241.db2.gz KLIKYMWZRPYCGZ-FXQIFTODSA-N 1 2 237.221 1.085 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CC=C[C@H]2CO)o1 ZINC000880485389 583544111 /nfs/dbraw/zinc/54/41/11/583544111.db2.gz CIPZPSWTRJQHSZ-JTQLQIEISA-N 1 2 222.288 1.531 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CC=C[C@H]2CO)o1 ZINC000880485389 583544112 /nfs/dbraw/zinc/54/41/12/583544112.db2.gz CIPZPSWTRJQHSZ-JTQLQIEISA-N 1 2 222.288 1.531 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc([C@H](C)O)nn1 ZINC000881311979 583550615 /nfs/dbraw/zinc/55/06/15/583550615.db2.gz DWKUZHGYCPDLBX-VIFPVBQESA-N 1 2 218.260 1.083 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2cccc(F)c2)CC(=O)N1 ZINC000894901372 583551965 /nfs/dbraw/zinc/55/19/65/583551965.db2.gz CTAJUDIBAMTRPY-USEMIUTHSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CC(=O)N1 ZINC000894901372 583551967 /nfs/dbraw/zinc/55/19/67/583551967.db2.gz CTAJUDIBAMTRPY-USEMIUTHSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2cccc(F)c2)CC(=O)N1 ZINC000894901369 583552134 /nfs/dbraw/zinc/55/21/34/583552134.db2.gz CTAJUDIBAMTRPY-JOAKQRRISA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CC(=O)N1 ZINC000894901369 583552136 /nfs/dbraw/zinc/55/21/36/583552136.db2.gz CTAJUDIBAMTRPY-JOAKQRRISA-N 1 2 248.301 1.659 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2F)nn1 ZINC000894909597 583554615 /nfs/dbraw/zinc/55/46/15/583554615.db2.gz QMUXDJKVUVHGON-GHMZBOCLSA-N 1 2 226.299 1.668 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000894985773 583564381 /nfs/dbraw/zinc/56/43/81/583564381.db2.gz JBKVHAARPXHDMM-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000894985773 583564383 /nfs/dbraw/zinc/56/43/83/583564383.db2.gz JBKVHAARPXHDMM-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000894987561 583565017 /nfs/dbraw/zinc/56/50/17/583565017.db2.gz WDAZSZWSTYOWJO-LSJOCFKGSA-N 1 2 222.288 1.460 20 0 BDADLO CCC[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000881529993 583573470 /nfs/dbraw/zinc/57/34/70/583573470.db2.gz MOZZDZFQCWMVKI-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CC(=O)C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000895063498 583577484 /nfs/dbraw/zinc/57/74/84/583577484.db2.gz LJGYQWOTSHOMTJ-UHFFFAOYSA-N 1 2 244.298 1.535 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCNc1nccs1 ZINC000895086712 583585094 /nfs/dbraw/zinc/58/50/94/583585094.db2.gz FIMOVFWSQHSPTR-JTQLQIEISA-N 1 2 241.360 1.666 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCNc1nccs1 ZINC000895086712 583585095 /nfs/dbraw/zinc/58/50/95/583585095.db2.gz FIMOVFWSQHSPTR-JTQLQIEISA-N 1 2 241.360 1.666 20 0 BDADLO CC(Cl)(Cl)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887397 588913946 /nfs/dbraw/zinc/91/39/46/588913946.db2.gz QDYFQTKPPLGCIO-ZCFIWIBFSA-N 1 2 248.113 1.118 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccoc1 ZINC000895114720 583591750 /nfs/dbraw/zinc/59/17/50/583591750.db2.gz NRANHXIOOUONGG-LPEHRKFASA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccoc1 ZINC000895114720 583591752 /nfs/dbraw/zinc/59/17/52/583591752.db2.gz NRANHXIOOUONGG-LPEHRKFASA-N 1 2 222.288 1.377 20 0 BDADLO CCOC(=O)C1(CNc2nc[nH+]c(C)c2C)CC1 ZINC000882199304 583597949 /nfs/dbraw/zinc/59/79/49/583597949.db2.gz MKWGYIYVRIZGGO-UHFFFAOYSA-N 1 2 249.314 1.849 20 0 BDADLO CN(C)c1cc(NC[C@@H]2C=CCC2)[nH+]cn1 ZINC000895130716 583600592 /nfs/dbraw/zinc/60/05/92/583600592.db2.gz RIMPBTBZPAXJRH-SNVBAGLBSA-N 1 2 218.304 1.921 20 0 BDADLO CN(C)c1cc(NC[C@@H]2C=CCC2)nc[nH+]1 ZINC000895130716 583600594 /nfs/dbraw/zinc/60/05/94/583600594.db2.gz RIMPBTBZPAXJRH-SNVBAGLBSA-N 1 2 218.304 1.921 20 0 BDADLO CCONC(=O)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000895173733 583613585 /nfs/dbraw/zinc/61/35/85/583613585.db2.gz ASKFPNMEAZMNBX-NXEZZACHSA-N 1 2 226.320 1.222 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000895174508 583614715 /nfs/dbraw/zinc/61/47/15/583614715.db2.gz GHYBCOOHHUCNMV-LBPRGKRZSA-N 1 2 248.326 1.374 20 0 BDADLO COCCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000727209826 583622433 /nfs/dbraw/zinc/62/24/33/583622433.db2.gz QCEWBGIMZIWVMB-UHFFFAOYSA-N 1 2 248.282 1.722 20 0 BDADLO CCc1cc(NC2CC(OC)(OC)C2)nc[nH+]1 ZINC000895252386 583633165 /nfs/dbraw/zinc/63/31/65/583633165.db2.gz HGSJMUGZVOOMRA-UHFFFAOYSA-N 1 2 237.303 1.602 20 0 BDADLO CC1=NO[C@@H](C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000895300222 583641943 /nfs/dbraw/zinc/64/19/43/583641943.db2.gz KMTQYXXUNWNCNN-GFCCVEGCSA-N 1 2 249.318 1.258 20 0 BDADLO CC1=NO[C@H](C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000895300224 583642026 /nfs/dbraw/zinc/64/20/26/583642026.db2.gz KMTQYXXUNWNCNN-LBPRGKRZSA-N 1 2 249.318 1.258 20 0 BDADLO CC1=NO[C@@H](C[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000895309882 583646624 /nfs/dbraw/zinc/64/66/24/583646624.db2.gz WQOYCVIUBUYUFO-SNVBAGLBSA-N 1 2 244.298 1.817 20 0 BDADLO CCc1nc(C[NH2+]C[C@H]2CC(C)=NO2)cs1 ZINC000895312514 583647613 /nfs/dbraw/zinc/64/76/13/583647613.db2.gz XBQBBIVQLKKAAJ-SNVBAGLBSA-N 1 2 239.344 1.960 20 0 BDADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000895315961 583648829 /nfs/dbraw/zinc/64/88/29/583648829.db2.gz KWZNIXKAWOCKDJ-JTQLQIEISA-N 1 2 249.314 1.166 20 0 BDADLO CC(C)c1nnc(C[NH2+]C/C=C\CO)s1 ZINC000895335847 583653024 /nfs/dbraw/zinc/65/30/24/583653024.db2.gz BQLUXBXWGBCNFK-ARJAWSKDSA-N 1 2 227.333 1.300 20 0 BDADLO CC(C)c1nnc(C[NH2+]C/C=C/CO)s1 ZINC000895335849 583653512 /nfs/dbraw/zinc/65/35/12/583653512.db2.gz BQLUXBXWGBCNFK-ONEGZZNKSA-N 1 2 227.333 1.300 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1C ZINC000895341008 583654666 /nfs/dbraw/zinc/65/46/66/583654666.db2.gz CDTNWASPJSUKEN-NOZJJQNGSA-N 1 2 237.347 1.477 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2cc(C)co2)CCO1 ZINC000895415904 583667186 /nfs/dbraw/zinc/66/71/86/583667186.db2.gz OTUXRFSFTAGMMJ-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2cc(C)co2)CCO1 ZINC000895415904 583667187 /nfs/dbraw/zinc/66/71/87/583667187.db2.gz OTUXRFSFTAGMMJ-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO CO[C@@]1(C[N@@H+]2CC[C@@H]2C(F)F)CCOC1 ZINC000895432239 583670885 /nfs/dbraw/zinc/67/08/85/583670885.db2.gz XQXXPHKHBZJUFO-PSASIEDQSA-N 1 2 221.247 1.131 20 0 BDADLO CO[C@@]1(C[N@H+]2CC[C@@H]2C(F)F)CCOC1 ZINC000895432239 583670886 /nfs/dbraw/zinc/67/08/86/583670886.db2.gz XQXXPHKHBZJUFO-PSASIEDQSA-N 1 2 221.247 1.131 20 0 BDADLO C/C(=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000857884757 588920415 /nfs/dbraw/zinc/92/04/15/588920415.db2.gz KSJDHDPFCYAEMJ-VQNWOSHQSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCCC2)c[nH+]1 ZINC000895440455 583675118 /nfs/dbraw/zinc/67/51/18/583675118.db2.gz UHLPJYXMZPQAJI-UHFFFAOYSA-N 1 2 221.304 1.549 20 0 BDADLO CCN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895452112 583676469 /nfs/dbraw/zinc/67/64/69/583676469.db2.gz QOPIOMYHZSCVSJ-UHFFFAOYSA-N 1 2 223.320 1.795 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccns2)nn1 ZINC000895452605 583676880 /nfs/dbraw/zinc/67/68/80/583676880.db2.gz PZAOJHMYMZGLCR-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccns2)nn1 ZINC000895452605 583676884 /nfs/dbraw/zinc/67/68/84/583676884.db2.gz PZAOJHMYMZGLCR-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO C/C=C(/C=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1)CC ZINC000857889662 588920958 /nfs/dbraw/zinc/92/09/58/588920958.db2.gz MRUDMIFFIANPQG-ZBQQSJNQSA-N 1 2 245.326 1.837 20 0 BDADLO CC1=C(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCO1 ZINC000857890418 588920972 /nfs/dbraw/zinc/92/09/72/588920972.db2.gz VEKRRCNQFVXDHD-JTQLQIEISA-N 1 2 247.298 1.008 20 0 BDADLO C/C=C(/C=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1)CC ZINC000857889661 588921296 /nfs/dbraw/zinc/92/12/96/588921296.db2.gz MRUDMIFFIANPQG-XEZOKDOFSA-N 1 2 245.326 1.837 20 0 BDADLO CC/C(C)=C(/C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885937 588921311 /nfs/dbraw/zinc/92/13/11/588921311.db2.gz BRFIHPYRRPCMCB-DWOQACPDSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1cc(C[N@@H+]2CCCn3nncc3C2)c(C)o1 ZINC000895755798 583720794 /nfs/dbraw/zinc/72/07/94/583720794.db2.gz PYGVVBMXUNKMJR-UHFFFAOYSA-N 1 2 246.314 1.894 20 0 BDADLO Cc1cc(C[N@H+]2CCCn3nncc3C2)c(C)o1 ZINC000895755798 583720795 /nfs/dbraw/zinc/72/07/95/583720795.db2.gz PYGVVBMXUNKMJR-UHFFFAOYSA-N 1 2 246.314 1.894 20 0 BDADLO CC(C)c1nnc(C[NH2+]C2(C)COC2)s1 ZINC000895759046 583721305 /nfs/dbraw/zinc/72/13/05/583721305.db2.gz UDRUCSTZAGMSLA-UHFFFAOYSA-N 1 2 227.333 1.540 20 0 BDADLO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808892 583729367 /nfs/dbraw/zinc/72/93/67/583729367.db2.gz WNYDDKUHXPKCLS-GARJFASQSA-N 1 2 241.331 1.485 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000895809036 583729671 /nfs/dbraw/zinc/72/96/71/583729671.db2.gz XUCADYZGSXFJTF-QWRGUYRKSA-N 1 2 239.315 1.383 20 0 BDADLO CC(C)[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804107 583731591 /nfs/dbraw/zinc/73/15/91/583731591.db2.gz NJJPNMDPQFNBES-LPEHRKFASA-N 1 2 229.345 1.422 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000895808425 583732771 /nfs/dbraw/zinc/73/27/71/583732771.db2.gz MNPBGZNCABPQQN-FZMZJTMJSA-N 1 2 245.322 1.697 20 0 BDADLO CC[C@H](NC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000895808089 583732854 /nfs/dbraw/zinc/73/28/54/583732854.db2.gz ZFXRPQCNLRIZTI-NSHDSACASA-N 1 2 236.319 1.408 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857965837 588925746 /nfs/dbraw/zinc/92/57/46/588925746.db2.gz ROSXZIXUNRDQHX-WANFKSSISA-N 1 2 231.299 1.446 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000895905559 583744598 /nfs/dbraw/zinc/74/45/98/583744598.db2.gz NXCCNPIRAKFYTG-KOLCDFICSA-N 1 2 248.330 1.745 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000895905559 583744600 /nfs/dbraw/zinc/74/46/00/583744600.db2.gz NXCCNPIRAKFYTG-KOLCDFICSA-N 1 2 248.330 1.745 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000895910296 583745154 /nfs/dbraw/zinc/74/51/54/583745154.db2.gz PDVDWSLDGHMYBZ-SCZZXKLOSA-N 1 2 234.303 1.498 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000895910296 583745155 /nfs/dbraw/zinc/74/51/55/583745155.db2.gz PDVDWSLDGHMYBZ-SCZZXKLOSA-N 1 2 234.303 1.498 20 0 BDADLO CC(C)(C)OCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983282 588925961 /nfs/dbraw/zinc/92/59/61/588925961.db2.gz ZLAKTVJSKQZYNS-SECBINFHSA-N 1 2 237.303 1.259 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC(OC(C)C)C2)o1 ZINC000895955808 583752527 /nfs/dbraw/zinc/75/25/27/583752527.db2.gz VCKNPHGHZQDBSR-UHFFFAOYSA-N 1 2 224.304 1.901 20 0 BDADLO CC(C)OC1C[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000895955233 583752721 /nfs/dbraw/zinc/75/27/21/583752721.db2.gz CLPIOMFJSPTCPJ-UHFFFAOYSA-N 1 2 249.358 1.907 20 0 BDADLO COCC1C[NH+](Cc2cnc(OC)s2)C1 ZINC000895969727 583755448 /nfs/dbraw/zinc/75/54/48/583755448.db2.gz MFSAKEDPVBRGJH-UHFFFAOYSA-N 1 2 228.317 1.230 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976920 588926703 /nfs/dbraw/zinc/92/67/03/588926703.db2.gz OOGCBZMPPYUZBH-OPRDCNLKSA-N 1 2 219.288 1.490 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977764 588926809 /nfs/dbraw/zinc/92/68/09/588926809.db2.gz HDBKNYGIZSREES-BNFOFFDWSA-N 1 2 219.288 1.800 20 0 BDADLO COCC1C[NH+](Cc2ccncc2Cl)C1 ZINC000895974566 583756896 /nfs/dbraw/zinc/75/68/96/583756896.db2.gz HEGLDYUWPFJNBM-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO COCC1C[NH+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895977321 583757617 /nfs/dbraw/zinc/75/76/17/583757617.db2.gz ZOWCJLDNPQXIEB-UHFFFAOYSA-N 1 2 223.320 1.611 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccsn1 ZINC000857976948 588926996 /nfs/dbraw/zinc/92/69/96/588926996.db2.gz OZZUFDFYXOJBRK-ZETCQYMHSA-N 1 2 234.284 1.214 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980425 588927178 /nfs/dbraw/zinc/92/71/78/588927178.db2.gz YHANKRRMTIILMO-HLTSFMKQSA-N 1 2 205.261 1.100 20 0 BDADLO CCOCC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857979084 588927217 /nfs/dbraw/zinc/92/72/17/588927217.db2.gz UHTYBDDUHPEDIZ-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO C[NH+](C)C1(c2nc(C3CCC3)no2)CC1 ZINC000896017979 583763633 /nfs/dbraw/zinc/76/36/33/583763633.db2.gz TUIQYXXARVNMLN-UHFFFAOYSA-N 1 2 207.277 1.888 20 0 BDADLO C([NH2+][C@]12C[C@H]1COC2)c1nnc(C2CC2)s1 ZINC000896039118 583766123 /nfs/dbraw/zinc/76/61/23/583766123.db2.gz BWYSIEGTRMETRK-KWQFWETISA-N 1 2 237.328 1.294 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@]23C[C@H]2COC3)s1 ZINC000896039120 583766270 /nfs/dbraw/zinc/76/62/70/583766270.db2.gz BZKAHHSDBHJVFF-KWQFWETISA-N 1 2 239.344 1.540 20 0 BDADLO O=C(Cc1ccco1)N[C@H]1CCn2c[nH+]cc21 ZINC000857980735 588927656 /nfs/dbraw/zinc/92/76/56/588927656.db2.gz OVYPHISJWLTWJI-JTQLQIEISA-N 1 2 231.255 1.280 20 0 BDADLO CCc1nc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc[nH+]1 ZINC000896087341 583769523 /nfs/dbraw/zinc/76/95/23/583769523.db2.gz DZDVYIOHXZPYMM-VWYCJHECSA-N 1 2 249.314 1.255 20 0 BDADLO Cc1cc(Cc2noc(C3([NH+](C)C)CC3)n2)no1 ZINC000896096526 583770198 /nfs/dbraw/zinc/77/01/98/583770198.db2.gz YFPDJIGEUXWRRR-UHFFFAOYSA-N 1 2 248.286 1.508 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857982623 588928058 /nfs/dbraw/zinc/92/80/58/588928058.db2.gz KLLKYWJNHAYWEP-SECBINFHSA-N 1 2 219.288 1.634 20 0 BDADLO CO[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)C ZINC000857981397 588928259 /nfs/dbraw/zinc/92/82/59/588928259.db2.gz CSROPUHOZJJNLV-KOLCDFICSA-N 1 2 237.303 1.115 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896133936 583774976 /nfs/dbraw/zinc/77/49/76/583774976.db2.gz RCGMLUCHAWAVOR-LNLATYFQSA-N 1 2 248.330 1.315 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896133936 583774979 /nfs/dbraw/zinc/77/49/79/583774979.db2.gz RCGMLUCHAWAVOR-LNLATYFQSA-N 1 2 248.330 1.315 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896133936 583774982 /nfs/dbraw/zinc/77/49/82/583774982.db2.gz RCGMLUCHAWAVOR-LNLATYFQSA-N 1 2 248.330 1.315 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000896133936 583774983 /nfs/dbraw/zinc/77/49/83/583774983.db2.gz RCGMLUCHAWAVOR-LNLATYFQSA-N 1 2 248.330 1.315 20 0 BDADLO CCc1nc(NCC2CC3(C2)OCCO3)cc[nH+]1 ZINC000896150812 583776656 /nfs/dbraw/zinc/77/66/56/583776656.db2.gz GEAQEUUSMQLXEE-UHFFFAOYSA-N 1 2 249.314 1.604 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccncc1F ZINC000857983984 588928445 /nfs/dbraw/zinc/92/84/45/588928445.db2.gz AIWMJZPGDCZUQL-JTQLQIEISA-N 1 2 246.245 1.292 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)O1 ZINC000857983792 588928710 /nfs/dbraw/zinc/92/87/10/588928710.db2.gz VFXGBDIIRXRYER-FOGDFJRCSA-N 1 2 249.314 1.402 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(F)nc1 ZINC000857984910 588928748 /nfs/dbraw/zinc/92/87/48/588928748.db2.gz FOUCZLHAFGMPGM-VIFPVBQESA-N 1 2 246.245 1.292 20 0 BDADLO Cc1[nH]nc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1C ZINC000857985053 588928756 /nfs/dbraw/zinc/92/87/56/588928756.db2.gz GFBGNJXSYUWMOG-SECBINFHSA-N 1 2 245.286 1.098 20 0 BDADLO CS/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985023 588928761 /nfs/dbraw/zinc/92/87/61/588928761.db2.gz FYMJJVGYSXRFSQ-QIUOEGRZSA-N 1 2 223.301 1.321 20 0 BDADLO CCC[C@@H](O)CCNc1nc[nH+]c(C)c1OC ZINC000896186034 583780757 /nfs/dbraw/zinc/78/07/57/583780757.db2.gz LMSLIFRGCQPVHW-SNVBAGLBSA-N 1 2 239.319 1.757 20 0 BDADLO CCC[C@H](O)CCNc1[nH+]cnc2c1cnn2C ZINC000896187201 583780977 /nfs/dbraw/zinc/78/09/77/583780977.db2.gz WNHACEYKDXVAPY-VIFPVBQESA-N 1 2 249.318 1.326 20 0 BDADLO CSC[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986951 588929099 /nfs/dbraw/zinc/92/90/99/588929099.db2.gz QCSSVRGEIPKYRN-BDAKNGLRSA-N 1 2 239.344 1.443 20 0 BDADLO O=C(C=C1CCC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857987250 588929103 /nfs/dbraw/zinc/92/91/03/588929103.db2.gz SGOIGXNLKCJIMZ-JTQLQIEISA-N 1 2 217.272 1.554 20 0 BDADLO CC(F)(F)CCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986584 588929118 /nfs/dbraw/zinc/92/91/18/588929118.db2.gz QYHCVCAFOJIJPS-QMMMGPOBSA-N 1 2 243.257 1.880 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)c1cc[nH]n1)CCN2 ZINC000857995729 588929849 /nfs/dbraw/zinc/92/98/49/588929849.db2.gz FUMHNISJEPJTEH-UHFFFAOYSA-N 1 2 243.270 1.185 20 0 BDADLO CC(C)SCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989860 588929922 /nfs/dbraw/zinc/92/99/22/588929922.db2.gz QJKKLTIJVVXGLC-SECBINFHSA-N 1 2 239.344 1.586 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC[C@@H]2C=CCC2)c1 ZINC000896417780 583801476 /nfs/dbraw/zinc/80/14/76/583801476.db2.gz DDVCPACWBDRLCQ-SNVBAGLBSA-N 1 2 234.303 1.186 20 0 BDADLO c1ccc(NCCOC2CCOCC2)[nH+]c1 ZINC000896468129 583803245 /nfs/dbraw/zinc/80/32/45/583803245.db2.gz LDQMQJKNTPPAHR-UHFFFAOYSA-N 1 2 222.288 1.689 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1(O)CCC1)CCN2 ZINC000857998678 588930527 /nfs/dbraw/zinc/93/05/27/588930527.db2.gz FXVIMSGXFLYHQX-UHFFFAOYSA-N 1 2 247.298 1.064 20 0 BDADLO CCc1cc(NCCO[C@H]2CCOC2)nc[nH+]1 ZINC000896474822 583805131 /nfs/dbraw/zinc/80/51/31/583805131.db2.gz XRZPSYXWALQURI-NSHDSACASA-N 1 2 237.303 1.256 20 0 BDADLO CC[C@@H]1C[C@@H](C[NH2+]Cc2c[nH]nn2)CCO1 ZINC000858198657 588938499 /nfs/dbraw/zinc/93/84/99/588938499.db2.gz XPUCKPAPVYHQKI-GXSJLCMTSA-N 1 2 224.308 1.100 20 0 BDADLO CC[C@@H]1C[C@@H](C[NH2+]Cc2cn[nH]n2)CCO1 ZINC000858198657 588938500 /nfs/dbraw/zinc/93/85/00/588938500.db2.gz XPUCKPAPVYHQKI-GXSJLCMTSA-N 1 2 224.308 1.100 20 0 BDADLO Cc1nocc1Cc1noc(C2([NH+](C)C)CC2)n1 ZINC000896739293 583828994 /nfs/dbraw/zinc/82/89/94/583828994.db2.gz CDVQSEBQYSBECJ-UHFFFAOYSA-N 1 2 248.286 1.508 20 0 BDADLO Cc1nc(NCC2(C3(O)CCC3)CC2)cc[nH+]1 ZINC000896809888 583835521 /nfs/dbraw/zinc/83/55/21/583835521.db2.gz PAGBSIMEMTUERZ-UHFFFAOYSA-N 1 2 233.315 1.892 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000896927239 583858532 /nfs/dbraw/zinc/85/85/32/583858532.db2.gz OUSWSYJODNKMSY-LPEHRKFASA-N 1 2 214.309 1.078 20 0 BDADLO CCn1cnc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000896906817 583851520 /nfs/dbraw/zinc/85/15/20/583851520.db2.gz DRTSXSXHBSFMLJ-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO C/C=C(/CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911076 583853100 /nfs/dbraw/zinc/85/31/00/583853100.db2.gz ZZSDTLIKPKMUQL-YHYXMXQVSA-N 1 2 221.304 1.999 20 0 BDADLO CC=C(CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911076 583853102 /nfs/dbraw/zinc/85/31/02/583853102.db2.gz ZZSDTLIKPKMUQL-YHYXMXQVSA-N 1 2 221.304 1.999 20 0 BDADLO Cc1[nH]c(CNC(=O)Cc2ccco2)[nH+]c1C ZINC000896916317 583855020 /nfs/dbraw/zinc/85/50/20/583855020.db2.gz CHROIJFRRWZUCJ-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO CC[C@H]1CCCC[C@H]1C[NH2+]CC(=O)NOC ZINC000896924156 583858466 /nfs/dbraw/zinc/85/84/66/583858466.db2.gz LXRNNONAWDBGHW-QWRGUYRKSA-N 1 2 228.336 1.470 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@H]2C)[nH+]c1C ZINC000896929170 583859970 /nfs/dbraw/zinc/85/99/70/583859970.db2.gz FGSITNQZVFKBDS-MUWHJKNJSA-N 1 2 207.277 1.299 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000896926385 583859984 /nfs/dbraw/zinc/85/99/84/583859984.db2.gz JCQACYZZHUERJS-QMMMGPOBSA-N 1 2 234.365 1.174 20 0 BDADLO CCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896929806 583860937 /nfs/dbraw/zinc/86/09/37/583860937.db2.gz NJGAIQHJAASGTJ-UHFFFAOYSA-N 1 2 209.293 1.833 20 0 BDADLO Cc1[nH+]cnc(NCc2cnn(CCF)c2)c1C ZINC000896992784 583867273 /nfs/dbraw/zinc/86/72/73/583867273.db2.gz CVUMLMUTEDPKSL-UHFFFAOYSA-N 1 2 249.293 1.872 20 0 BDADLO Cc1c[nH]c(C[NH+]2CCC(O)(C3CCC3)CC2)n1 ZINC000897033824 583872182 /nfs/dbraw/zinc/87/21/82/583872182.db2.gz DJFVOVCJAFFTDE-UHFFFAOYSA-N 1 2 249.358 1.845 20 0 BDADLO CNc1cc(NC2CC3(C2)CO[C@H](C)C3)[nH+]cn1 ZINC000897045788 583872985 /nfs/dbraw/zinc/87/29/85/583872985.db2.gz PENBHKUXQKGHHM-TTXORMCVSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]c1 ZINC000897071363 583877120 /nfs/dbraw/zinc/87/71/20/583877120.db2.gz BKESGKNOFHUNKD-FFEGIPCXSA-N 1 2 246.310 1.723 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(C2CC2)CC1 ZINC000897083585 583877780 /nfs/dbraw/zinc/87/77/80/583877780.db2.gz BYQSGCHWUWIDIZ-SNVBAGLBSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(C2CC2)CC1 ZINC000897083585 583877782 /nfs/dbraw/zinc/87/77/82/583877782.db2.gz BYQSGCHWUWIDIZ-SNVBAGLBSA-N 1 2 245.326 1.573 20 0 BDADLO OC1CC2(C[C@H]2Nc2cc[nH+]c3ccncc23)C1 ZINC000897091605 583878681 /nfs/dbraw/zinc/87/86/81/583878681.db2.gz NXWPIRZLMDNPRA-JRZRUSQNSA-N 1 2 241.294 1.377 20 0 BDADLO CCc1nc(N(C)[C@H]2CC[C@H]2OC)cc[nH+]1 ZINC000897140594 583883258 /nfs/dbraw/zinc/88/32/58/583883258.db2.gz ZLCBJXLOMZNQOV-VHSXEESVSA-N 1 2 221.304 1.653 20 0 BDADLO COc1ccc[nH+]c1N(C)[C@H]1CC[C@@H]1OC ZINC000897142630 583883583 /nfs/dbraw/zinc/88/35/83/583883583.db2.gz PFCHFRIHIQKQCZ-UWVGGRQHSA-N 1 2 222.288 1.704 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1cc[nH+]c(C)n1 ZINC000897147297 583886121 /nfs/dbraw/zinc/88/61/21/583886121.db2.gz JUSZLAWPGNRNFP-NXEZZACHSA-N 1 2 207.277 1.399 20 0 BDADLO CCc1cc(NCc2nnc(C)[nH]2)nc(CC)[nH+]1 ZINC000897209030 583895308 /nfs/dbraw/zinc/89/53/08/583895308.db2.gz LHDCOJADVKYSDH-UHFFFAOYSA-N 1 2 246.318 1.640 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C3CC3)n2)[nH]1 ZINC000897209379 583895437 /nfs/dbraw/zinc/89/54/37/583895437.db2.gz RAYBCCPIVNLTBY-UHFFFAOYSA-N 1 2 230.275 1.393 20 0 BDADLO CCC/C(C)=C\C(=O)NCc1[nH+]ccn1C ZINC000728544616 583896634 /nfs/dbraw/zinc/89/66/34/583896634.db2.gz JPVHVNJCQWWBLD-NTMALXAHSA-N 1 2 221.304 1.783 20 0 BDADLO CCCCSCC(=O)NCc1[nH+]ccn1C ZINC000728545311 583896703 /nfs/dbraw/zinc/89/67/03/583896703.db2.gz YYKRVOYRJHPTIG-UHFFFAOYSA-N 1 2 241.360 1.570 20 0 BDADLO C[C@H](O)c1ccc(NC2CC(CCO)C2)[nH+]c1 ZINC000897236283 583900109 /nfs/dbraw/zinc/90/01/09/583900109.db2.gz FUZSCNYOGMNARR-BMQDGWLCSA-N 1 2 236.315 1.708 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000751476300 583911397 /nfs/dbraw/zinc/91/13/97/583911397.db2.gz YGUMURNVOMVFAS-LBPRGKRZSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000751476300 583911398 /nfs/dbraw/zinc/91/13/98/583911398.db2.gz YGUMURNVOMVFAS-LBPRGKRZSA-N 1 2 246.314 1.279 20 0 BDADLO CON(C)C(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000788021318 583934503 /nfs/dbraw/zinc/93/45/03/583934503.db2.gz UMWKTTQEWSPZLA-UHFFFAOYSA-N 1 2 236.262 1.126 20 0 BDADLO CON(C)C(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000788021318 583934504 /nfs/dbraw/zinc/93/45/04/583934504.db2.gz UMWKTTQEWSPZLA-UHFFFAOYSA-N 1 2 236.262 1.126 20 0 BDADLO Cn1c[nH+]c(CNc2cnn(CCF)c2)c1 ZINC000858246334 588939986 /nfs/dbraw/zinc/93/99/86/588939986.db2.gz DABGQCOQMBWHGB-UHFFFAOYSA-N 1 2 223.255 1.198 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2COC[C@@H]2C2CC2)[nH+]c1 ZINC000897450670 583985200 /nfs/dbraw/zinc/98/52/00/583985200.db2.gz KCFAFJOSJNGKIE-BIMULSAOSA-N 1 2 248.326 1.972 20 0 BDADLO Cc1cc(N[C@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897446069 583986525 /nfs/dbraw/zinc/98/65/25/583986525.db2.gz BTZNUZLUQKCGBX-MNOVXSKESA-N 1 2 219.288 1.622 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2COC[C@@H]2C2CC2)[nH+]1 ZINC000897449570 583987161 /nfs/dbraw/zinc/98/71/61/583987161.db2.gz ANFNVOZXKTWVMQ-NDMJEZRESA-N 1 2 248.326 1.972 20 0 BDADLO O[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccn[nH]1 ZINC000897538768 584010767 /nfs/dbraw/zinc/01/07/67/584010767.db2.gz FDJSYALQMYTDJM-ZYHUDNBSSA-N 1 2 223.320 1.441 20 0 BDADLO Cc1cccc2c1CC[N@@H+](Cc1nncn1C)C2 ZINC000729480231 584015500 /nfs/dbraw/zinc/01/55/00/584015500.db2.gz QBGANSTXFUGHHW-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc2c1CC[N@H+](Cc1nncn1C)C2 ZINC000729480231 584015502 /nfs/dbraw/zinc/01/55/02/584015502.db2.gz QBGANSTXFUGHHW-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000865677285 584026580 /nfs/dbraw/zinc/02/65/80/584026580.db2.gz VOVCQBPKUKUHLH-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC(C)(F)C2)c[nH+]1 ZINC000897615183 584032001 /nfs/dbraw/zinc/03/20/01/584032001.db2.gz RAUSCTCRDHIMPK-UHFFFAOYSA-N 1 2 239.294 1.497 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@H](C)[C@H](O)C2)nn1C ZINC000897678375 584035882 /nfs/dbraw/zinc/03/58/82/584035882.db2.gz ATCGGCLYGAYPRD-OIBJUYFYSA-N 1 2 243.738 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)nn1C ZINC000897678375 584035883 /nfs/dbraw/zinc/03/58/83/584035883.db2.gz ATCGGCLYGAYPRD-OIBJUYFYSA-N 1 2 243.738 1.195 20 0 BDADLO Cc1ccncc1C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897750604 584043489 /nfs/dbraw/zinc/04/34/89/584043489.db2.gz CUKHEINKHOZNNE-UHFFFAOYSA-N 1 2 247.298 1.074 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2cccs2)C1 ZINC000897789844 584048807 /nfs/dbraw/zinc/04/88/07/584048807.db2.gz MGTVHKMCERLSKE-UHFFFAOYSA-N 1 2 236.340 1.555 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@H]1CCCCO1)C(=O)OC ZINC000897834478 584052793 /nfs/dbraw/zinc/05/27/93/584052793.db2.gz QJINIEVGHHWKPA-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OC ZINC000897833945 584052983 /nfs/dbraw/zinc/05/29/83/584052983.db2.gz FDWDXIQLZLOFAB-MXWKQRLJSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC23CC3)c[nH+]1 ZINC000898009563 584071136 /nfs/dbraw/zinc/07/11/36/584071136.db2.gz TUEYJNQJNQWYHW-SNVBAGLBSA-N 1 2 233.315 1.595 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2cn(C)cn2)n1 ZINC000898045202 584072787 /nfs/dbraw/zinc/07/27/87/584072787.db2.gz IOEKVECPQQSGDU-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cn(C)cn2)o1 ZINC000898045844 584073804 /nfs/dbraw/zinc/07/38/04/584073804.db2.gz UWPPCAXYXTWQJA-UHFFFAOYSA-N 1 2 235.287 1.449 20 0 BDADLO C[C@@H]([NH2+]C1CC(CCO)C1)C(=O)OC(C)(C)C ZINC000898015523 584074737 /nfs/dbraw/zinc/07/47/37/584074737.db2.gz ODYLOMGMJMSUBH-KPPDAEKUSA-N 1 2 243.347 1.467 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cn(C)cn1 ZINC000898043186 584080290 /nfs/dbraw/zinc/08/02/90/584080290.db2.gz HNORZJIZRFPOKZ-UHFFFAOYSA-N 1 2 220.276 1.260 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2cn(C)cn2)cn1 ZINC000898043019 584080594 /nfs/dbraw/zinc/08/05/94/584080594.db2.gz AVTZUHIZEPDCNG-UHFFFAOYSA-N 1 2 217.276 1.007 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccncc2F)c1 ZINC000898043246 584080626 /nfs/dbraw/zinc/08/06/26/584080626.db2.gz JLPXLUJOYMVQIW-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO c1cc(C[NH+]2CC(Cc3ccoc3)C2)n[nH]1 ZINC000898160584 584087554 /nfs/dbraw/zinc/08/75/54/584087554.db2.gz KMDSGDNNORCREA-UHFFFAOYSA-N 1 2 217.272 1.677 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(CCO)cc2)o1 ZINC000898169938 584088250 /nfs/dbraw/zinc/08/82/50/584088250.db2.gz VQQIWTCWFAEKAM-UHFFFAOYSA-N 1 2 246.310 1.808 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898188022 584094022 /nfs/dbraw/zinc/09/40/22/584094022.db2.gz NMUHYDRJKPJKOP-NEPJUHHUSA-N 1 2 243.278 1.331 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898188022 584094024 /nfs/dbraw/zinc/09/40/24/584094024.db2.gz NMUHYDRJKPJKOP-NEPJUHHUSA-N 1 2 243.278 1.331 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000898192977 584096022 /nfs/dbraw/zinc/09/60/22/584096022.db2.gz NFWZLSPOHSIHJP-ZWNOBZJWSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000898192977 584096024 /nfs/dbraw/zinc/09/60/24/584096024.db2.gz NFWZLSPOHSIHJP-ZWNOBZJWSA-N 1 2 249.289 1.468 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898194221 584096412 /nfs/dbraw/zinc/09/64/12/584096412.db2.gz WHVOBJYDZYNOEW-UWVGGRQHSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898194221 584096414 /nfs/dbraw/zinc/09/64/14/584096414.db2.gz WHVOBJYDZYNOEW-UWVGGRQHSA-N 1 2 213.252 1.493 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC=C(Cl)C1 ZINC000898197188 584097295 /nfs/dbraw/zinc/09/72/95/584097295.db2.gz MRCQAAHXDNSBOM-UHFFFAOYSA-N 1 2 239.706 1.318 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCCNC2=O)cc[nH+]1 ZINC000730106826 584123533 /nfs/dbraw/zinc/12/35/33/584123533.db2.gz KYPYEKRPQGMLDT-SECBINFHSA-N 1 2 234.303 1.291 20 0 BDADLO Nc1cc(CN2CCO[C@@H](C(F)F)C2)cc[nH+]1 ZINC000801562776 584127716 /nfs/dbraw/zinc/12/77/16/584127716.db2.gz FDYOJTSBMHNHAI-SECBINFHSA-N 1 2 243.257 1.130 20 0 BDADLO CC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CCC1 ZINC000898496823 584139890 /nfs/dbraw/zinc/13/98/90/584139890.db2.gz ZUWVJBHJURXVOW-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CCC1 ZINC000898496823 584139892 /nfs/dbraw/zinc/13/98/92/584139892.db2.gz ZUWVJBHJURXVOW-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc[nH]c1 ZINC000898494557 584139918 /nfs/dbraw/zinc/13/99/18/584139918.db2.gz NOJBRKWAEDYAGO-LLVKDONJSA-N 1 2 239.294 1.178 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc[nH]c1 ZINC000898494557 584139920 /nfs/dbraw/zinc/13/99/20/584139920.db2.gz NOJBRKWAEDYAGO-LLVKDONJSA-N 1 2 239.294 1.178 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898499737 584140098 /nfs/dbraw/zinc/14/00/98/584140098.db2.gz RACGOIKGJCEMPC-GHMZBOCLSA-N 1 2 248.317 1.531 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898499737 584140100 /nfs/dbraw/zinc/14/01/00/584140100.db2.gz RACGOIKGJCEMPC-GHMZBOCLSA-N 1 2 248.317 1.531 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494392 584140291 /nfs/dbraw/zinc/14/02/91/584140291.db2.gz AIRRVMDPSPORSB-WDEREUQCSA-N 1 2 242.338 1.583 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494392 584140293 /nfs/dbraw/zinc/14/02/93/584140293.db2.gz AIRRVMDPSPORSB-WDEREUQCSA-N 1 2 242.338 1.583 20 0 BDADLO C/C=C/CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000858499794 588960553 /nfs/dbraw/zinc/96/05/53/588960553.db2.gz NZADEECRGPNQPI-HPOULIHZSA-N 1 2 220.276 1.203 20 0 BDADLO C/C=C/CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000858499793 588960648 /nfs/dbraw/zinc/96/06/48/588960648.db2.gz NZADEECRGPNQPI-GKQMSVHHSA-N 1 2 220.276 1.203 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2(C)CCC2)c1 ZINC000898628194 584147003 /nfs/dbraw/zinc/14/70/03/584147003.db2.gz PTORNLPPPYBXKF-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CC[C@H]2C2CC2)c1 ZINC000898619425 584147555 /nfs/dbraw/zinc/14/75/55/584147555.db2.gz JMJZIWTWOJQAHM-NSHDSACASA-N 1 2 234.303 1.114 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@]2(C)CC=CCC2)c1 ZINC000898619272 584147722 /nfs/dbraw/zinc/14/77/22/584147722.db2.gz JGRZGPYOPXWPEX-CYBMUJFWSA-N 1 2 248.330 1.718 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC(C)(C)C)c1 ZINC000898626143 584148001 /nfs/dbraw/zinc/14/80/01/584148001.db2.gz AKGCREYKGOUOQD-UHFFFAOYSA-N 1 2 210.281 1.018 20 0 BDADLO Cc1n[nH]nc1NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000898745400 584156719 /nfs/dbraw/zinc/15/67/19/584156719.db2.gz QZXUKPPSGGLLGF-JTQLQIEISA-N 1 2 249.318 1.069 20 0 BDADLO Cc1n[nH]nc1NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000898745400 584156721 /nfs/dbraw/zinc/15/67/21/584156721.db2.gz QZXUKPPSGGLLGF-JTQLQIEISA-N 1 2 249.318 1.069 20 0 BDADLO Cc1nocc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898810370 584160117 /nfs/dbraw/zinc/16/01/17/584160117.db2.gz LWFZYSHEOVROBD-SECBINFHSA-N 1 2 232.243 1.054 20 0 BDADLO CCOC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898811681 584160255 /nfs/dbraw/zinc/16/02/55/584160255.db2.gz VQWXLJNYDLUMNK-SECBINFHSA-N 1 2 237.303 1.259 20 0 BDADLO CC[C@H](OC)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901053 584165033 /nfs/dbraw/zinc/16/50/33/584165033.db2.gz CNVHLISMEMJWGC-JTQLQIEISA-N 1 2 239.319 1.159 20 0 BDADLO Cc1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)[nH]n1 ZINC000898901339 584165051 /nfs/dbraw/zinc/16/50/51/584165051.db2.gz HJDSBFCIYNJCTJ-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO CC(C)(CNC(=O)c1cnco1)n1cc[nH+]c1 ZINC000898905083 584165232 /nfs/dbraw/zinc/16/52/32/584165232.db2.gz RNBNDYISDUUAGG-UHFFFAOYSA-N 1 2 234.259 1.036 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC2CSC2)c[nH+]1 ZINC000898941268 584167345 /nfs/dbraw/zinc/16/73/45/584167345.db2.gz IDQNFNPLGOVFKY-UHFFFAOYSA-N 1 2 239.344 1.158 20 0 BDADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000858579166 588968223 /nfs/dbraw/zinc/96/82/23/588968223.db2.gz NDWHDYGSJPLTHY-SFYZADRCSA-N 1 2 243.332 1.202 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000899970121 584261874 /nfs/dbraw/zinc/26/18/74/584261874.db2.gz PYBYGFARBAIYGM-NSHDSACASA-N 1 2 243.310 1.872 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000899970121 584261876 /nfs/dbraw/zinc/26/18/76/584261876.db2.gz PYBYGFARBAIYGM-NSHDSACASA-N 1 2 243.310 1.872 20 0 BDADLO C/C=C\[C@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000900322422 584294587 /nfs/dbraw/zinc/29/45/87/584294587.db2.gz ISSZLMJRCRDTBG-OAQKJQOQSA-N 1 2 235.287 1.023 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900363514 584296453 /nfs/dbraw/zinc/29/64/53/584296453.db2.gz BMWGEPKEXIBTDQ-DTWKUNHWSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900363514 584296454 /nfs/dbraw/zinc/29/64/54/584296454.db2.gz BMWGEPKEXIBTDQ-DTWKUNHWSA-N 1 2 209.293 1.503 20 0 BDADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900346579 584296465 /nfs/dbraw/zinc/29/64/65/584296465.db2.gz KJYJVZRLTNBVBT-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900346579 584296466 /nfs/dbraw/zinc/29/64/66/584296466.db2.gz KJYJVZRLTNBVBT-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1ncc(CNc2nc[nH+]c(C)c2OC)n1 ZINC000858652375 588973254 /nfs/dbraw/zinc/97/32/54/588973254.db2.gz HVHUNLXQICHLDE-UHFFFAOYSA-N 1 2 248.290 1.017 20 0 BDADLO CCCN(CC(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900454997 584313420 /nfs/dbraw/zinc/31/34/20/584313420.db2.gz ZMQVZGYHCHJCMN-UHFFFAOYSA-N 1 2 231.246 1.456 20 0 BDADLO CCC(C)(C)C(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900618558 584332903 /nfs/dbraw/zinc/33/29/03/584332903.db2.gz ZNXGSEUGBFAUTH-UHFFFAOYSA-N 1 2 234.299 1.756 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000900712504 584344052 /nfs/dbraw/zinc/34/40/52/584344052.db2.gz HUZRGRXWXAAYJV-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000900712504 584344054 /nfs/dbraw/zinc/34/40/54/584344054.db2.gz HUZRGRXWXAAYJV-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900719086 584344481 /nfs/dbraw/zinc/34/44/81/584344481.db2.gz OONSUSZZRVYPKE-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1noc2c1CCCC2 ZINC000900786679 584351443 /nfs/dbraw/zinc/35/14/43/584351443.db2.gz SHZKFVPWUDQLPE-JTQLQIEISA-N 1 2 249.314 1.586 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1noc2c1CCCC2 ZINC000900786679 584351444 /nfs/dbraw/zinc/35/14/44/584351444.db2.gz SHZKFVPWUDQLPE-JTQLQIEISA-N 1 2 249.314 1.586 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCC2(C)C)c[nH+]1 ZINC000900787045 584351677 /nfs/dbraw/zinc/35/16/77/584351677.db2.gz KNNMIWJLNKZRTH-UHFFFAOYSA-N 1 2 235.331 1.938 20 0 BDADLO COC(C)(C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900844080 584356169 /nfs/dbraw/zinc/35/61/69/584356169.db2.gz QIYACTFGGPUNSA-VIFPVBQESA-N 1 2 239.319 1.272 20 0 BDADLO COC(C)(C)C[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900844080 584356171 /nfs/dbraw/zinc/35/61/71/584356171.db2.gz QIYACTFGGPUNSA-VIFPVBQESA-N 1 2 239.319 1.272 20 0 BDADLO CS[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900862385 584358680 /nfs/dbraw/zinc/35/86/80/584358680.db2.gz HCCSAVZNUZUZOY-PSASIEDQSA-N 1 2 239.344 1.353 20 0 BDADLO CS[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900862385 584358682 /nfs/dbraw/zinc/35/86/82/584358682.db2.gz HCCSAVZNUZUZOY-PSASIEDQSA-N 1 2 239.344 1.353 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900865832 584362394 /nfs/dbraw/zinc/36/23/94/584362394.db2.gz XZSISPILNOPDJW-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900865832 584362397 /nfs/dbraw/zinc/36/23/97/584362397.db2.gz XZSISPILNOPDJW-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CNc1cccc[nH+]1 ZINC000900944858 584368960 /nfs/dbraw/zinc/36/89/60/584368960.db2.gz DBXMUGHRRFXNMY-WDEREUQCSA-N 1 2 233.315 1.750 20 0 BDADLO CC1(C)CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900972290 584369814 /nfs/dbraw/zinc/36/98/14/584369814.db2.gz KKBILEGAAHXGFR-JTQLQIEISA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CCC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900972290 584369815 /nfs/dbraw/zinc/36/98/15/584369815.db2.gz KKBILEGAAHXGFR-JTQLQIEISA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@]1(CNC(=O)CNc2cccc[nH+]2)CCCO1 ZINC000901005463 584373588 /nfs/dbraw/zinc/37/35/88/584373588.db2.gz FAGVACKZCLVIJE-ZDUSSCGKSA-N 1 2 249.314 1.179 20 0 BDADLO CC[C@H](O)[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001598 584373807 /nfs/dbraw/zinc/37/38/07/584373807.db2.gz YCEDYQYMAOBCOX-XCBNKYQSSA-N 1 2 239.319 1.050 20 0 BDADLO C[C@H]1OCCN(C(=O)CNc2cccc[nH+]2)[C@@H]1C ZINC000901099129 584385352 /nfs/dbraw/zinc/38/53/52/584385352.db2.gz ABFDRUISETYIFR-GHMZBOCLSA-N 1 2 249.314 1.129 20 0 BDADLO Cc1cccc(C)c1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000901106795 584388556 /nfs/dbraw/zinc/38/85/56/584388556.db2.gz QTTSLZNJURDDRY-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1cccc(C)c1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000901106795 584388557 /nfs/dbraw/zinc/38/85/57/584388557.db2.gz QTTSLZNJURDDRY-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CC(C)C(NC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000901136593 584389511 /nfs/dbraw/zinc/38/95/11/584389511.db2.gz BZZBXBJVRKEFKO-UHFFFAOYSA-N 1 2 223.320 1.749 20 0 BDADLO CC(C)C(NC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000901136593 584389513 /nfs/dbraw/zinc/38/95/13/584389513.db2.gz BZZBXBJVRKEFKO-UHFFFAOYSA-N 1 2 223.320 1.749 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000901241335 584406629 /nfs/dbraw/zinc/40/66/29/584406629.db2.gz LVYZDZHLRHQOSX-MRVPVSSYSA-N 1 2 218.260 1.158 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000901241335 584406632 /nfs/dbraw/zinc/40/66/32/584406632.db2.gz LVYZDZHLRHQOSX-MRVPVSSYSA-N 1 2 218.260 1.158 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)OCCF ZINC000858881933 588981587 /nfs/dbraw/zinc/98/15/87/588981587.db2.gz LDQAJHJROJKOJR-UHFFFAOYSA-N 1 2 237.234 1.530 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1F ZINC000901351937 584431507 /nfs/dbraw/zinc/43/15/07/584431507.db2.gz RLTNLYIIEOOMGJ-SCZZXKLOSA-N 1 2 225.267 1.159 20 0 BDADLO CC(C)c1c[nH]c(C=C2SC(=O)NC2=O)[nH+]1 ZINC000901554637 584462306 /nfs/dbraw/zinc/46/23/06/584462306.db2.gz AMOWRJNVOJPWRF-CLTKARDFSA-N 1 2 237.284 1.857 20 0 BDADLO CC[C@H]([NH2+]C[C@]1(C)CCCCO1)C(=O)OC ZINC000901605486 584468964 /nfs/dbraw/zinc/46/89/64/584468964.db2.gz AHDRFVIVBRWPSH-JQWIXIFHSA-N 1 2 229.320 1.487 20 0 BDADLO c1cn(-c2ccc(CSC3COC3)cn2)c[nH+]1 ZINC000901641399 584473724 /nfs/dbraw/zinc/47/37/24/584473724.db2.gz BMMOJMISRDXJMN-UHFFFAOYSA-N 1 2 247.323 1.899 20 0 BDADLO CCn1cnc(C[NH2+]Cc2c(C)noc2C)c1 ZINC000902104857 584523599 /nfs/dbraw/zinc/52/35/99/584523599.db2.gz QXPFKFVOCMIBBR-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CN1CCOC1=O ZINC000902097041 584525257 /nfs/dbraw/zinc/52/52/57/584525257.db2.gz KBWBLTJLNXXOLP-UHFFFAOYSA-N 1 2 240.225 1.670 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CN1CCOC1=O ZINC000902097041 584525259 /nfs/dbraw/zinc/52/52/59/584525259.db2.gz KBWBLTJLNXXOLP-UHFFFAOYSA-N 1 2 240.225 1.670 20 0 BDADLO Cc1[nH]c(CNc2ccc(F)nn2)[nH+]c1C ZINC000902137873 584526191 /nfs/dbraw/zinc/52/61/91/584526191.db2.gz DZUGBSVKJQKVNT-UHFFFAOYSA-N 1 2 221.239 1.568 20 0 BDADLO CCc1ncc(CNc2cc[nH+]c(C)n2)cn1 ZINC000902125336 584528848 /nfs/dbraw/zinc/52/88/48/584528848.db2.gz QLGABOAKRQQLRK-UHFFFAOYSA-N 1 2 229.287 1.750 20 0 BDADLO Cc1nc(NCc2cnn(C)c2Cl)cc[nH+]1 ZINC000902125140 584529315 /nfs/dbraw/zinc/52/93/15/584529315.db2.gz NRLBJLJCTBRPLJ-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO COc1ncncc1CNc1cc[nH+]c(C)n1 ZINC000902125167 584529354 /nfs/dbraw/zinc/52/93/54/584529354.db2.gz NZPGHAORXPBFEU-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BDADLO Cc1[nH]c(CNc2cnc(C)cn2)[nH+]c1C ZINC000902212017 584535425 /nfs/dbraw/zinc/53/54/25/584535425.db2.gz WUMHIOTUOQSDCE-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO COC(=O)c1cc(CNc2cc(C)[nH+]cn2)c[nH]1 ZINC000902197245 584536598 /nfs/dbraw/zinc/53/65/98/584536598.db2.gz ZLKALDGVYRUKCI-UHFFFAOYSA-N 1 2 246.270 1.512 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1C[C@@]12CCOC2 ZINC000902220465 584540791 /nfs/dbraw/zinc/54/07/91/584540791.db2.gz DUMHZDHCZBFPMG-CMPLNLGQSA-N 1 2 242.319 1.336 20 0 BDADLO CC[C@@H]1C[C@H]1CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000902252410 584543908 /nfs/dbraw/zinc/54/39/08/584543908.db2.gz FLMLFJABRLBGCD-ZJUUUORDSA-N 1 2 241.335 1.446 20 0 BDADLO CO[C@H](C)C[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902266560 584549229 /nfs/dbraw/zinc/54/92/29/584549229.db2.gz SBGZIGOWRMVLOX-LLVKDONJSA-N 1 2 248.326 1.567 20 0 BDADLO CO[C@H](C)C[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902266560 584549230 /nfs/dbraw/zinc/54/92/30/584549230.db2.gz SBGZIGOWRMVLOX-LLVKDONJSA-N 1 2 248.326 1.567 20 0 BDADLO CCn1cnc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000902313348 584554765 /nfs/dbraw/zinc/55/47/65/584554765.db2.gz QOVLTJBLGRGPMM-NSHDSACASA-N 1 2 245.330 1.273 20 0 BDADLO c1cc(OC[C@H]2C[C@@]23CCOC3)cc[nH+]1 ZINC000902357696 584570103 /nfs/dbraw/zinc/57/01/03/584570103.db2.gz VSEUAOVMVUGOMG-ZYHUDNBSSA-N 1 2 205.257 1.887 20 0 BDADLO c1c[nH+]c(COC[C@@H]2C[C@@]23CCOC3)[nH]1 ZINC000902396368 584585167 /nfs/dbraw/zinc/58/51/67/584585167.db2.gz JUELHOSXPNHFIH-GXSJLCMTSA-N 1 2 208.261 1.353 20 0 BDADLO CC(C)c1ncn(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000902492098 584618302 /nfs/dbraw/zinc/61/83/02/584618302.db2.gz PEUAMOOBDLVWGR-UHFFFAOYSA-N 1 2 245.330 1.911 20 0 BDADLO COc1cc(CSCCn2cc[nH+]c2)on1 ZINC000902526047 584632122 /nfs/dbraw/zinc/63/21/22/584632122.db2.gz SJTYFEISKBSZRI-UHFFFAOYSA-N 1 2 239.300 1.813 20 0 BDADLO CN(C)c1n[nH]c(NCc2[nH+]ccn2C2CC2)n1 ZINC000902560890 584634405 /nfs/dbraw/zinc/63/44/05/584634405.db2.gz XHLJTBIDYXMLCA-UHFFFAOYSA-N 1 2 247.306 1.014 20 0 BDADLO CNc1ccc(C)cc1C[NH2+]Cc1cnn(C)n1 ZINC000902564104 584634882 /nfs/dbraw/zinc/63/48/82/584634882.db2.gz NLQNJDKTVBJKCW-UHFFFAOYSA-N 1 2 245.330 1.455 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ccnn2CC)c1 ZINC000902621892 584645339 /nfs/dbraw/zinc/64/53/39/584645339.db2.gz SIZLHYPFXMNCFP-UHFFFAOYSA-N 1 2 233.319 1.409 20 0 BDADLO OCC1(COc2ccc3c[nH+]ccc3c2)COC1 ZINC000902638022 584648911 /nfs/dbraw/zinc/64/89/11/584648911.db2.gz MJOLYPCDZAPDCC-UHFFFAOYSA-N 1 2 245.278 1.623 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000902717770 584657960 /nfs/dbraw/zinc/65/79/60/584657960.db2.gz SZQFTSGPOLCHAM-YTWAJWBKSA-N 1 2 244.335 1.723 20 0 BDADLO CO[C@H](C)COc1ccc2c(c1)[nH+]cn2C ZINC000902781396 584670338 /nfs/dbraw/zinc/67/03/38/584670338.db2.gz RLLRXGFGYFPEDU-SECBINFHSA-N 1 2 220.272 1.987 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902994534 584712109 /nfs/dbraw/zinc/71/21/09/584712109.db2.gz DRSBPWYHTOWALJ-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902994534 584712110 /nfs/dbraw/zinc/71/21/10/584712110.db2.gz DRSBPWYHTOWALJ-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO C[C@H](C[N@@H+]1CCC[C@@H](F)C1)CS(C)(=O)=O ZINC000902998023 584714393 /nfs/dbraw/zinc/71/43/93/584714393.db2.gz DXYSPZJBDSGKDK-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@H](C[N@H+]1CCC[C@@H](F)C1)CS(C)(=O)=O ZINC000902998023 584714394 /nfs/dbraw/zinc/71/43/94/584714394.db2.gz DXYSPZJBDSGKDK-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998046 584714879 /nfs/dbraw/zinc/71/48/79/584714879.db2.gz FJTNUWWEFCQORP-GHMZBOCLSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902998046 584714880 /nfs/dbraw/zinc/71/48/80/584714880.db2.gz FJTNUWWEFCQORP-GHMZBOCLSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000657 584715321 /nfs/dbraw/zinc/71/53/21/584715321.db2.gz ICWFFYUCFWIFIC-RYUDHWBXSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000657 584715322 /nfs/dbraw/zinc/71/53/22/584715322.db2.gz ICWFFYUCFWIFIC-RYUDHWBXSA-N 1 2 244.354 1.971 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000613 584715745 /nfs/dbraw/zinc/71/57/45/584715745.db2.gz HQFMCVLDDAGPCD-VHSXEESVSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000613 584715747 /nfs/dbraw/zinc/71/57/47/584715747.db2.gz HQFMCVLDDAGPCD-VHSXEESVSA-N 1 2 230.327 1.724 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003154 584716881 /nfs/dbraw/zinc/71/68/81/584716881.db2.gz KLIRQYXYGCUOMY-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003154 584716882 /nfs/dbraw/zinc/71/68/82/584716882.db2.gz KLIRQYXYGCUOMY-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003155 584716890 /nfs/dbraw/zinc/71/68/90/584716890.db2.gz KLIRQYXYGCUOMY-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003155 584716891 /nfs/dbraw/zinc/71/68/91/584716891.db2.gz KLIRQYXYGCUOMY-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1cn(C)nn1 ZINC000903077583 584724735 /nfs/dbraw/zinc/72/47/35/584724735.db2.gz LWWWZNRCZYGUFC-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000903344036 584752801 /nfs/dbraw/zinc/75/28/01/584752801.db2.gz DQBYBYPDOMNMTN-VIFPVBQESA-N 1 2 249.318 1.013 20 0 BDADLO Cc1[nH+]cc(C[NH2+]C2(C(=O)[O-])CCCC2)n1C ZINC000904007261 584837156 /nfs/dbraw/zinc/83/71/56/584837156.db2.gz CGHMXZKXGGHAQX-UHFFFAOYSA-N 1 2 237.303 1.216 20 0 BDADLO CC1=NO[C@](C)(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000904100919 584841113 /nfs/dbraw/zinc/84/11/13/584841113.db2.gz PGFWUOWTKPMEOR-LBPRGKRZSA-N 1 2 233.271 1.305 20 0 BDADLO C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000904214030 584855662 /nfs/dbraw/zinc/85/56/62/584855662.db2.gz QLOJDNJZTWVVKJ-VIFPVBQESA-N 1 2 247.298 1.558 20 0 BDADLO COc1cnc(F)c(C[NH+]2CCSCC2)c1 ZINC000876559705 584886113 /nfs/dbraw/zinc/88/61/13/584886113.db2.gz AHEUUYQESNBOQT-UHFFFAOYSA-N 1 2 242.319 1.778 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761079888 584909004 /nfs/dbraw/zinc/90/90/04/584909004.db2.gz CPWLYNUZOAYTNG-VHSXEESVSA-N 1 2 234.303 1.059 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761079888 584909005 /nfs/dbraw/zinc/90/90/05/584909005.db2.gz CPWLYNUZOAYTNG-VHSXEESVSA-N 1 2 234.303 1.059 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H]3C[C@H]32)n1C1CC1 ZINC000761100442 584909992 /nfs/dbraw/zinc/90/99/92/584909992.db2.gz XOABSIVFHYVRHJ-GXSJLCMTSA-N 1 2 218.304 1.516 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H]3C[C@H]32)n1C1CC1 ZINC000761100442 584909993 /nfs/dbraw/zinc/90/99/93/584909993.db2.gz XOABSIVFHYVRHJ-GXSJLCMTSA-N 1 2 218.304 1.516 20 0 BDADLO O=C1NC(=O)/C(=C\c2[nH]cc[nH+]2)c2ccccc21 ZINC000731157338 584922977 /nfs/dbraw/zinc/92/29/77/584922977.db2.gz VRZBWMCRDJOMSN-YFHOEESVSA-N 1 2 239.234 1.220 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000214587398 584924666 /nfs/dbraw/zinc/92/46/66/584924666.db2.gz CDXCETXOKJTAQF-NVIAFKCQSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000214587398 584924667 /nfs/dbraw/zinc/92/46/67/584924667.db2.gz CDXCETXOKJTAQF-NVIAFKCQSA-N 1 2 227.304 1.215 20 0 BDADLO CCCOC(=O)CCNc1cc(CC)[nH+]cn1 ZINC000733189639 584945192 /nfs/dbraw/zinc/94/51/92/584945192.db2.gz FZICVBKBRTWUQM-UHFFFAOYSA-N 1 2 237.303 1.794 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@@H](C)CC2=O)C[C@@H](C)O1 ZINC000733297169 584946310 /nfs/dbraw/zinc/94/63/10/584946310.db2.gz WRJQPWXEQYVZAM-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@@H](C)CC2=O)C[C@@H](C)O1 ZINC000733297169 584946311 /nfs/dbraw/zinc/94/63/11/584946311.db2.gz WRJQPWXEQYVZAM-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](O)c1ccc(N(C)[C@H]2CCOC2)[nH+]c1 ZINC000134730233 584953831 /nfs/dbraw/zinc/95/38/31/584953831.db2.gz JSTVTGSELKOSEV-ONGXEEELSA-N 1 2 222.288 1.360 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000769115825 584956739 /nfs/dbraw/zinc/95/67/39/584956739.db2.gz PYCKHOJLSOEWAZ-JQWIXIFHSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000769115825 584956740 /nfs/dbraw/zinc/95/67/40/584956740.db2.gz PYCKHOJLSOEWAZ-JQWIXIFHSA-N 1 2 248.326 1.725 20 0 BDADLO Cc1cc(NC(=O)C2=COCC2)cc[nH+]1 ZINC000734128131 584958625 /nfs/dbraw/zinc/95/86/25/584958625.db2.gz NYLXIELXBSUVNO-UHFFFAOYSA-N 1 2 204.229 1.055 20 0 BDADLO Cc1cc(NNC(=S)NC2CC2)nc(C)[nH+]1 ZINC000735988964 584986295 /nfs/dbraw/zinc/98/62/95/584986295.db2.gz FBTUHJKQZMVOJL-UHFFFAOYSA-N 1 2 237.332 1.047 20 0 BDADLO C/C=C/C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000736019298 584986699 /nfs/dbraw/zinc/98/66/99/584986699.db2.gz LJDJEQUJKFCZOU-NSCUHMNNSA-N 1 2 242.282 1.460 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cccs1 ZINC000788079960 585022303 /nfs/dbraw/zinc/02/23/03/585022303.db2.gz HWICYGSMSHAQAW-VIFPVBQESA-N 1 2 243.303 1.949 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cccs1 ZINC000788079960 585022304 /nfs/dbraw/zinc/02/23/04/585022304.db2.gz HWICYGSMSHAQAW-VIFPVBQESA-N 1 2 243.303 1.949 20 0 BDADLO CCc1cc(N2C[C@H](C)OC[C@@H]2C)nc(C)[nH+]1 ZINC000180426793 585032962 /nfs/dbraw/zinc/03/29/62/585032962.db2.gz UTLLXJWBAMBREJ-UWVGGRQHSA-N 1 2 235.331 1.961 20 0 BDADLO C/C=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000737556080 585035905 /nfs/dbraw/zinc/03/59/05/585035905.db2.gz ZCTRLPBANLBNGH-NSCUHMNNSA-N 1 2 201.229 1.849 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000738320714 585042588 /nfs/dbraw/zinc/04/25/88/585042588.db2.gz PPJCJMWDUGOSBI-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000738320714 585042589 /nfs/dbraw/zinc/04/25/89/585042589.db2.gz PPJCJMWDUGOSBI-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[C@H]21 ZINC000838657435 585063852 /nfs/dbraw/zinc/06/38/52/585063852.db2.gz VYGZQDUBIBQOCF-WDEREUQCSA-N 1 2 248.330 1.597 20 0 BDADLO CCON(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000838719024 585067551 /nfs/dbraw/zinc/06/75/51/585067551.db2.gz BRKCCRALTBSTPS-UHFFFAOYSA-N 1 2 237.303 1.791 20 0 BDADLO CCn1ncc(C[N@@H+]2CCn3cccc3[C@H]2C)n1 ZINC000838782910 585069525 /nfs/dbraw/zinc/06/95/25/585069525.db2.gz GAUGRLPBGCLGSC-LLVKDONJSA-N 1 2 245.330 1.676 20 0 BDADLO CCn1ncc(C[N@H+]2CCn3cccc3[C@H]2C)n1 ZINC000838782910 585069526 /nfs/dbraw/zinc/06/95/26/585069526.db2.gz GAUGRLPBGCLGSC-LLVKDONJSA-N 1 2 245.330 1.676 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000838781493 585069622 /nfs/dbraw/zinc/06/96/22/585069622.db2.gz ZFJBBWZYBLAPPI-ZDUSSCGKSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000838781493 585069623 /nfs/dbraw/zinc/06/96/23/585069623.db2.gz ZFJBBWZYBLAPPI-ZDUSSCGKSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000838790322 585070381 /nfs/dbraw/zinc/07/03/81/585070381.db2.gz ZAUCIVYNZPGPKK-JTQLQIEISA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000838790322 585070382 /nfs/dbraw/zinc/07/03/82/585070382.db2.gz ZAUCIVYNZPGPKK-JTQLQIEISA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cc(C)oc2C)n1 ZINC000838946606 585080496 /nfs/dbraw/zinc/08/04/96/585080496.db2.gz FOYOZFZQMDLOHL-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CCn1ncc(CNc2c[nH+]cc(C)c2)n1 ZINC000838980459 585083965 /nfs/dbraw/zinc/08/39/65/585083965.db2.gz QWGXABFXASHOSJ-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000839133093 585094095 /nfs/dbraw/zinc/09/40/95/585094095.db2.gz KPWOJRDLOJHVLM-UHFFFAOYSA-N 1 2 249.358 1.350 20 0 BDADLO Cc1nc(F)ccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839133904 585094153 /nfs/dbraw/zinc/09/41/53/585094153.db2.gz XWLXEIQQOBZXEY-UHFFFAOYSA-N 1 2 238.306 1.732 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000839200878 585099217 /nfs/dbraw/zinc/09/92/17/585099217.db2.gz YVSRFZWJWNGSRZ-TUAOUCFPSA-N 1 2 243.347 1.875 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000839200879 585099357 /nfs/dbraw/zinc/09/93/57/585099357.db2.gz YVSRFZWJWNGSRZ-UTUOFQBUSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)NCc1[nH+]ccn1CC(C)C ZINC000741710717 585117054 /nfs/dbraw/zinc/11/70/54/585117054.db2.gz LJVYRZQWWCJLGB-UHFFFAOYSA-N 1 2 211.265 1.395 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCc2ncncc2C1 ZINC000886319916 585123002 /nfs/dbraw/zinc/12/30/02/585123002.db2.gz UGEYXCAVLAXFPE-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCc2ncncc2C1 ZINC000886319916 585123003 /nfs/dbraw/zinc/12/30/03/585123003.db2.gz UGEYXCAVLAXFPE-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1cn(C)nn1)c1ccccn1 ZINC000742371901 585125206 /nfs/dbraw/zinc/12/52/06/585125206.db2.gz ILGWCTDSBQRKHB-CYBMUJFWSA-N 1 2 245.330 1.697 20 0 BDADLO Cc1[nH+]c[nH]c1[C@@H]1NC(=O)c2ccc(F)cc2N1 ZINC000742442773 585126321 /nfs/dbraw/zinc/12/63/21/585126321.db2.gz OJEXRBWATHQAMQ-NSHDSACASA-N 1 2 246.245 1.711 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000742662035 585129729 /nfs/dbraw/zinc/12/97/29/585129729.db2.gz GDJCEVADPCTJEN-VIFPVBQESA-N 1 2 233.271 1.731 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CC23CCC3)[C@H](C)CO1 ZINC000743348367 585135591 /nfs/dbraw/zinc/13/55/91/585135591.db2.gz LQZVSOCAJUPZPA-GHMZBOCLSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CC23CCC3)[C@H](C)CO1 ZINC000743348367 585135592 /nfs/dbraw/zinc/13/55/92/585135592.db2.gz LQZVSOCAJUPZPA-GHMZBOCLSA-N 1 2 238.331 1.208 20 0 BDADLO CCC[NH+]1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000746216220 585165599 /nfs/dbraw/zinc/16/55/99/585165599.db2.gz ZQIBSMQXXCMHKF-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO COc1cccc(N2CC[NH+](CCF)CC2)c1 ZINC000746492888 585168836 /nfs/dbraw/zinc/16/88/36/585168836.db2.gz CAPSXZIGOIRWCQ-UHFFFAOYSA-N 1 2 238.306 1.787 20 0 BDADLO C[N@H+](Cn1ccsc1=O)CC(C)(C)C ZINC000746614028 585170874 /nfs/dbraw/zinc/17/08/74/585170874.db2.gz KZJOUDZDUAOBNP-UHFFFAOYSA-N 1 2 214.334 1.845 20 0 BDADLO C[N@@H+](Cn1ccsc1=O)CC(C)(C)C ZINC000746614028 585170875 /nfs/dbraw/zinc/17/08/75/585170875.db2.gz KZJOUDZDUAOBNP-UHFFFAOYSA-N 1 2 214.334 1.845 20 0 BDADLO CC1=C(C(=O)NC2=[NH+]CCS2)CCC1 ZINC000746810683 585172652 /nfs/dbraw/zinc/17/26/52/585172652.db2.gz YXVLSLDMBXGMPB-UHFFFAOYSA-N 1 2 210.302 1.706 20 0 BDADLO Cc1cc(NC(=O)c2ncccn2)c(C)c[nH+]1 ZINC000747111146 585175049 /nfs/dbraw/zinc/17/50/49/585175049.db2.gz FJIRSFHACZNIKU-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO Cc1ccc(NNC2=CC(=O)CN2)[nH+]c1 ZINC000747629933 585181357 /nfs/dbraw/zinc/18/13/57/585181357.db2.gz GMRPAMKHOHTEJG-UHFFFAOYSA-N 1 2 204.233 1.161 20 0 BDADLO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cn[nH]c1C ZINC000748241620 585189786 /nfs/dbraw/zinc/18/97/86/585189786.db2.gz CHWDVCMEVAYJTB-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCCS2)CC[N@@H+]1C ZINC000748344680 585190889 /nfs/dbraw/zinc/19/08/89/585190889.db2.gz FHWWKLQYZOHLDS-UWVGGRQHSA-N 1 2 228.361 1.045 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCCS2)CC[N@H+]1C ZINC000748344680 585190890 /nfs/dbraw/zinc/19/08/90/585190890.db2.gz FHWWKLQYZOHLDS-UWVGGRQHSA-N 1 2 228.361 1.045 20 0 BDADLO CCCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000748457756 585193137 /nfs/dbraw/zinc/19/31/37/585193137.db2.gz IWZOTIINQZQOGG-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000748457756 585193138 /nfs/dbraw/zinc/19/31/38/585193138.db2.gz IWZOTIINQZQOGG-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO C[N@H+](CN1C(=O)C(C)(C)C1(C)C)[C@@H]1CCOC1 ZINC000749168682 585200239 /nfs/dbraw/zinc/20/02/39/585200239.db2.gz QZHQNBGNACXBKV-SNVBAGLBSA-N 1 2 240.347 1.312 20 0 BDADLO C[N@@H+](CN1C(=O)C(C)(C)C1(C)C)[C@@H]1CCOC1 ZINC000749168682 585200240 /nfs/dbraw/zinc/20/02/40/585200240.db2.gz QZHQNBGNACXBKV-SNVBAGLBSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnnn2C)Cc2ccccc21 ZINC000749898694 585208034 /nfs/dbraw/zinc/20/80/34/585208034.db2.gz HLAGKDJGTBPHLD-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)Cc2ccccc21 ZINC000749898694 585208035 /nfs/dbraw/zinc/20/80/35/585208035.db2.gz HLAGKDJGTBPHLD-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO Cc1ccc(NC(=O)C2=COCC2)c(N(C)C)[nH+]1 ZINC000750530537 585216894 /nfs/dbraw/zinc/21/68/94/585216894.db2.gz IKTLOPXYBKQMQK-UHFFFAOYSA-N 1 2 247.298 1.699 20 0 BDADLO CC(C)=C(C)C(=O)NCCCn1cc[nH+]c1 ZINC000751187532 585225234 /nfs/dbraw/zinc/22/52/34/585225234.db2.gz CZGWKWUHYNRUMF-UHFFFAOYSA-N 1 2 221.304 1.746 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000751367100 585227652 /nfs/dbraw/zinc/22/76/52/585227652.db2.gz HAOGYYLHUASASD-NSHDSACASA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000751367100 585227653 /nfs/dbraw/zinc/22/76/53/585227653.db2.gz HAOGYYLHUASASD-NSHDSACASA-N 1 2 240.347 1.180 20 0 BDADLO O=C(C1=COCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751426393 585230243 /nfs/dbraw/zinc/23/02/43/585230243.db2.gz WWUQDPCUGWIMOX-UHFFFAOYSA-N 1 2 247.298 1.420 20 0 BDADLO O=C(C1=COCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751426393 585230244 /nfs/dbraw/zinc/23/02/44/585230244.db2.gz WWUQDPCUGWIMOX-UHFFFAOYSA-N 1 2 247.298 1.420 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=CSC ZINC000751582610 585233836 /nfs/dbraw/zinc/23/38/36/585233836.db2.gz ISITVHZHXHUVQM-FNORWQNLSA-N 1 2 222.313 1.881 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=CSC ZINC000751582609 585233944 /nfs/dbraw/zinc/23/39/44/585233944.db2.gz ISITVHZHXHUVQM-ALCCZGGFSA-N 1 2 222.313 1.881 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000752089789 585242033 /nfs/dbraw/zinc/24/20/33/585242033.db2.gz PHUQRALWDCJKCH-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1ncc(Cl)n1C ZINC000752089789 585242034 /nfs/dbraw/zinc/24/20/34/585242034.db2.gz PHUQRALWDCJKCH-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C=C/C(C)=C/CC(=O)NCc1c[nH+]cn1C ZINC000752953762 585251834 /nfs/dbraw/zinc/25/18/34/585251834.db2.gz PHDJKJQYTPWHKO-BJMVGYQFSA-N 1 2 219.288 1.559 20 0 BDADLO CCC(=O)CC[NH+]1CCN(CC(F)F)CC1 ZINC000753710094 585266811 /nfs/dbraw/zinc/26/68/11/585266811.db2.gz OIPROGWFUNLQKX-UHFFFAOYSA-N 1 2 234.290 1.238 20 0 BDADLO CCOC(=O)C[N@H+](CCC(=O)CC)C1CCC1 ZINC000753765373 585268565 /nfs/dbraw/zinc/26/85/65/585268565.db2.gz NAXNUGMXZXGIQG-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(=O)CC)C1CCC1 ZINC000753765373 585268566 /nfs/dbraw/zinc/26/85/66/585268566.db2.gz NAXNUGMXZXGIQG-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CC(C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896620 585271688 /nfs/dbraw/zinc/27/16/88/585271688.db2.gz YGBCSEZKGZQSBP-PHIMTYICSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896620 585271689 /nfs/dbraw/zinc/27/16/89/585271689.db2.gz YGBCSEZKGZQSBP-PHIMTYICSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@H]1COCC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000753991611 585274524 /nfs/dbraw/zinc/27/45/24/585274524.db2.gz BRUFEELHCQUFBG-SECBINFHSA-N 1 2 227.333 1.098 20 0 BDADLO C[C@H]1COCC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000753991611 585274525 /nfs/dbraw/zinc/27/45/25/585274525.db2.gz BRUFEELHCQUFBG-SECBINFHSA-N 1 2 227.333 1.098 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(=O)C(C)(C)C)C[C@@H]1C ZINC000754222294 585280773 /nfs/dbraw/zinc/28/07/73/585280773.db2.gz BGLQFVXXAODOHC-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(=O)C(C)(C)C)C[C@@H]1C ZINC000754222294 585280774 /nfs/dbraw/zinc/28/07/74/585280774.db2.gz BGLQFVXXAODOHC-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000754295039 585282193 /nfs/dbraw/zinc/28/21/93/585282193.db2.gz PZYNFVZVKAAQNW-RAJVOEEQSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@@H]1CCC(=CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000754295039 585282194 /nfs/dbraw/zinc/28/21/94/585282194.db2.gz PZYNFVZVKAAQNW-RAJVOEEQSA-N 1 2 219.288 1.772 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cccnc1Cl ZINC000754296451 585282382 /nfs/dbraw/zinc/28/23/82/585282382.db2.gz RPQWCDXNOJSHLZ-ZETCQYMHSA-N 1 2 243.694 1.768 20 0 BDADLO CCc1noc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000754386327 585283937 /nfs/dbraw/zinc/28/39/37/585283937.db2.gz RDHYBJHRIMJCCZ-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1noc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000754386327 585283938 /nfs/dbraw/zinc/28/39/38/585283938.db2.gz RDHYBJHRIMJCCZ-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000754564593 585286147 /nfs/dbraw/zinc/28/61/47/585286147.db2.gz GSPPKXYUCMNWCJ-NWDGAFQWSA-N 1 2 243.347 1.590 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1csc(C=O)c1 ZINC000755019935 585293230 /nfs/dbraw/zinc/29/32/30/585293230.db2.gz CDKLQMMAKTYJLF-UHFFFAOYSA-N 1 2 249.295 1.522 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2=COCC2)C1 ZINC000756132372 585314892 /nfs/dbraw/zinc/31/48/92/585314892.db2.gz UIGIBEOAKDMBNC-SNVBAGLBSA-N 1 2 247.298 1.040 20 0 BDADLO CC[C@@H](C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000756414920 585319476 /nfs/dbraw/zinc/31/94/76/585319476.db2.gz CMHHLWHOAOSNJO-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@@H](C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000756414920 585319477 /nfs/dbraw/zinc/31/94/77/585319477.db2.gz CMHHLWHOAOSNJO-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@H](C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000756414922 585319585 /nfs/dbraw/zinc/31/95/85/585319585.db2.gz CMHHLWHOAOSNJO-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@H](C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000756414922 585319586 /nfs/dbraw/zinc/31/95/86/585319586.db2.gz CMHHLWHOAOSNJO-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO CCN(CCCO)C(=O)c1cccc2[nH+]ccn21 ZINC000757202999 585330137 /nfs/dbraw/zinc/33/01/37/585330137.db2.gz QOLXCLRDANIBPD-UHFFFAOYSA-N 1 2 247.298 1.179 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cncc(Cl)n1 ZINC000757919716 585347009 /nfs/dbraw/zinc/34/70/09/585347009.db2.gz HJPPXAKLWRZBAK-UHFFFAOYSA-N 1 2 223.667 1.490 20 0 BDADLO CCn1cnnc1SCCCn1cc[nH+]c1 ZINC000758361389 585354648 /nfs/dbraw/zinc/35/46/48/585354648.db2.gz GXUSOOXKJVNQRR-UHFFFAOYSA-N 1 2 237.332 1.677 20 0 BDADLO Cc1cc(NC(=O)NOCC(F)F)c(C)c[nH+]1 ZINC000760001781 585383900 /nfs/dbraw/zinc/38/39/00/585383900.db2.gz MJCHYTGHTSZCCU-UHFFFAOYSA-N 1 2 245.229 1.439 20 0 BDADLO CCO[C@H](CC(=O)NC1=[NH+]CCS1)C(C)C ZINC000760305451 585389903 /nfs/dbraw/zinc/38/99/03/585389903.db2.gz QWEDHKDVJYTVFC-SECBINFHSA-N 1 2 244.360 1.657 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1ncc(C2CC2)o1 ZINC000760363055 585391502 /nfs/dbraw/zinc/39/15/02/585391502.db2.gz ZBSBDJXGQGXLEY-SSDOTTSWSA-N 1 2 239.275 1.585 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1ccnc(Cl)c1 ZINC000760444154 585392596 /nfs/dbraw/zinc/39/25/96/585392596.db2.gz YNBANZVTVNJYIE-ZETCQYMHSA-N 1 2 243.694 1.768 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1ccnc(Cl)c1 ZINC000760444150 585392646 /nfs/dbraw/zinc/39/26/46/585392646.db2.gz YNBANZVTVNJYIE-SSDOTTSWSA-N 1 2 243.694 1.768 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2)CCN1C ZINC000761084328 585404246 /nfs/dbraw/zinc/40/42/46/585404246.db2.gz YYDIUCLNRRSEMO-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2)CCN1C ZINC000761084328 585404247 /nfs/dbraw/zinc/40/42/47/585404247.db2.gz YYDIUCLNRRSEMO-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761050559 585404262 /nfs/dbraw/zinc/40/42/62/585404262.db2.gz LCQBQWZCQZALIJ-SSDOTTSWSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761050559 585404263 /nfs/dbraw/zinc/40/42/63/585404263.db2.gz LCQBQWZCQZALIJ-SSDOTTSWSA-N 1 2 235.209 1.762 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H]3C[C@H]32)o1 ZINC000761087216 585407652 /nfs/dbraw/zinc/40/76/52/585407652.db2.gz FLSCHQUTGXYMQN-DTWKUNHWSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H]3C[C@H]32)o1 ZINC000761087216 585407653 /nfs/dbraw/zinc/40/76/53/585407653.db2.gz FLSCHQUTGXYMQN-DTWKUNHWSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761090589 585408101 /nfs/dbraw/zinc/40/81/01/585408101.db2.gz KJJBDKJSTUQHQF-HRDYMLBCSA-N 1 2 237.328 1.564 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761090589 585408102 /nfs/dbraw/zinc/40/81/02/585408102.db2.gz KJJBDKJSTUQHQF-HRDYMLBCSA-N 1 2 237.328 1.564 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761097179 585408898 /nfs/dbraw/zinc/40/88/98/585408898.db2.gz SLUCDPQOCYMOLH-BDAKNGLRSA-N 1 2 205.261 1.541 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761097179 585408899 /nfs/dbraw/zinc/40/88/99/585408899.db2.gz SLUCDPQOCYMOLH-BDAKNGLRSA-N 1 2 205.261 1.541 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)C1(COC)CC1 ZINC000761098587 585409108 /nfs/dbraw/zinc/40/91/08/585409108.db2.gz AILKMYVPIISCQR-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)C1(COC)CC1 ZINC000761098587 585409109 /nfs/dbraw/zinc/40/91/09/585409109.db2.gz AILKMYVPIISCQR-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO Cc1csc(=O)n1Cc1cc[nH+]c(N(C)C)c1 ZINC000762475981 585432467 /nfs/dbraw/zinc/43/24/67/585432467.db2.gz WDLCGLYWQKQBJH-UHFFFAOYSA-N 1 2 249.339 1.728 20 0 BDADLO CN(C)c1cc(CSc2c[nH]nn2)cc[nH+]1 ZINC000762482867 585432936 /nfs/dbraw/zinc/43/29/36/585432936.db2.gz YYNCHCQNUYQAPS-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO CN(C)c1cc(CSc2cn[nH]n2)cc[nH+]1 ZINC000762482867 585432937 /nfs/dbraw/zinc/43/29/37/585432937.db2.gz YYNCHCQNUYQAPS-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO CCCCc1nc(C[NH2+][C@H](CO)C2CC2)no1 ZINC000763074836 585443006 /nfs/dbraw/zinc/44/30/06/585443006.db2.gz ZPEXFXWBOOUCER-SNVBAGLBSA-N 1 2 239.319 1.273 20 0 BDADLO O=C(Cc1ccc(F)cc1)OCCn1cc[nH+]c1 ZINC000763114390 585443275 /nfs/dbraw/zinc/44/32/75/585443275.db2.gz HHXQEGHKWFWBIV-UHFFFAOYSA-N 1 2 248.257 1.808 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000763113507 585443341 /nfs/dbraw/zinc/44/33/41/585443341.db2.gz BNHSPQFWJNNIPT-UHFFFAOYSA-N 1 2 234.230 1.879 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccccn1 ZINC000763289619 585446239 /nfs/dbraw/zinc/44/62/39/585446239.db2.gz WFXPXEKDXZCNGN-UHFFFAOYSA-N 1 2 231.255 1.525 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000764895954 585477305 /nfs/dbraw/zinc/47/73/05/585477305.db2.gz LWHNTUYUVUHZHZ-KOLCDFICSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000764895954 585477306 /nfs/dbraw/zinc/47/73/06/585477306.db2.gz LWHNTUYUVUHZHZ-KOLCDFICSA-N 1 2 247.342 1.819 20 0 BDADLO CS(=O)(=O)CC[NH+]1CCC(C(F)F)CC1 ZINC000766192030 585498694 /nfs/dbraw/zinc/49/86/94/585498694.db2.gz YUDYENSLNUHYMV-UHFFFAOYSA-N 1 2 241.303 1.008 20 0 BDADLO O=C1CC[C@H]2C[N@H+](C/C=C\Cl)CCN12 ZINC000766272673 585500109 /nfs/dbraw/zinc/50/01/09/585500109.db2.gz RABFIPUPOSAYQG-LVXRCVOFSA-N 1 2 214.696 1.046 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](C/C=C\Cl)CCN12 ZINC000766272673 585500110 /nfs/dbraw/zinc/50/01/10/585500110.db2.gz RABFIPUPOSAYQG-LVXRCVOFSA-N 1 2 214.696 1.046 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1C[C@H]1C ZINC000805340522 585513021 /nfs/dbraw/zinc/51/30/21/585513021.db2.gz GEKZIJQTCYZOLK-PSASIEDQSA-N 1 2 221.256 1.789 20 0 BDADLO O=C(Nc1cncnc1)c1cccc2[nH+]ccn21 ZINC000767151308 585514831 /nfs/dbraw/zinc/51/48/31/585514831.db2.gz GJGGZYBVKBUDKW-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nncn2C)c(C)o1 ZINC000767354507 585517063 /nfs/dbraw/zinc/51/70/63/585517063.db2.gz RTSPULCHYUZLLA-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)Cc1cc[nH]n1 ZINC000767373835 585518346 /nfs/dbraw/zinc/51/83/46/585518346.db2.gz CGFOYYJVIDYGTM-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)Cc1cc[nH]n1 ZINC000767373835 585518347 /nfs/dbraw/zinc/51/83/47/585518347.db2.gz CGFOYYJVIDYGTM-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)C1CC1 ZINC000767426859 585519932 /nfs/dbraw/zinc/51/99/32/585519932.db2.gz UEUFMWSRONXPMM-VIFPVBQESA-N 1 2 227.304 1.239 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)C1CC1 ZINC000767426859 585519933 /nfs/dbraw/zinc/51/99/33/585519933.db2.gz UEUFMWSRONXPMM-VIFPVBQESA-N 1 2 227.304 1.239 20 0 BDADLO CCc1ccc(C[N@H+](CC)CC(=O)NC)o1 ZINC000768301763 585535541 /nfs/dbraw/zinc/53/55/41/585535541.db2.gz LCPBVISIMYQWCW-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO CCc1ccc(C[N@@H+](CC)CC(=O)NC)o1 ZINC000768301763 585535542 /nfs/dbraw/zinc/53/55/42/585535542.db2.gz LCPBVISIMYQWCW-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO CON(C)CCc1[nH+]c2ccccc2n1C ZINC000768695761 585541971 /nfs/dbraw/zinc/54/19/71/585541971.db2.gz LKGGCFZOWJRCFF-UHFFFAOYSA-N 1 2 219.288 1.609 20 0 BDADLO c1oc(C2CC2)nc1C[N@@H+]1CCCOCC1 ZINC000768888017 585545492 /nfs/dbraw/zinc/54/54/92/585545492.db2.gz JFJBOPLWWPJJMR-UHFFFAOYSA-N 1 2 222.288 1.774 20 0 BDADLO c1oc(C2CC2)nc1C[N@H+]1CCCOCC1 ZINC000768888017 585545493 /nfs/dbraw/zinc/54/54/93/585545493.db2.gz JFJBOPLWWPJJMR-UHFFFAOYSA-N 1 2 222.288 1.774 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)Cn1cc[nH+]c1 ZINC000768895139 585545593 /nfs/dbraw/zinc/54/55/93/585545593.db2.gz GWGMBGHXXRZFDC-SECBINFHSA-N 1 2 211.265 1.072 20 0 BDADLO C[N@H+](Cc1coc(C2CC2)n1)[C@@H]1CCOC1 ZINC000769327610 585553955 /nfs/dbraw/zinc/55/39/55/585553955.db2.gz CTVRCGAXWOGCHX-LLVKDONJSA-N 1 2 222.288 1.773 20 0 BDADLO C[N@@H+](Cc1coc(C2CC2)n1)[C@@H]1CCOC1 ZINC000769327610 585553956 /nfs/dbraw/zinc/55/39/56/585553956.db2.gz CTVRCGAXWOGCHX-LLVKDONJSA-N 1 2 222.288 1.773 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H](F)c1ccccc1 ZINC000769355432 585554527 /nfs/dbraw/zinc/55/45/27/585554527.db2.gz OLFYFERUEIZIBZ-GFCCVEGCSA-N 1 2 247.273 1.710 20 0 BDADLO Cc1cc(NC[C@@H](O)c2ccccn2)nc[nH+]1 ZINC000770129554 585571005 /nfs/dbraw/zinc/57/10/05/585571005.db2.gz RSRSUENLNHDJOR-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770409383 585573609 /nfs/dbraw/zinc/57/36/09/585573609.db2.gz RMKFPYWRNIIYRF-ZJUUUORDSA-N 1 2 229.283 1.720 20 0 BDADLO C[C@]1(c2noc(Cn3cc[nH+]c3)n2)CCCO1 ZINC000770898876 585583893 /nfs/dbraw/zinc/58/38/93/585583893.db2.gz ASIMSEYCFVDVIC-LLVKDONJSA-N 1 2 234.259 1.340 20 0 BDADLO CCO[C@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770923061 585584413 /nfs/dbraw/zinc/58/44/13/585584413.db2.gz XZNMGXGFJHTZHP-SNVBAGLBSA-N 1 2 248.282 1.803 20 0 BDADLO CO[C@@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922907 585584419 /nfs/dbraw/zinc/58/44/19/585584419.db2.gz UHUUSPMYVOJSMA-VIFPVBQESA-N 1 2 234.255 1.412 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nncn2C)c(C)n1 ZINC000771384640 585593415 /nfs/dbraw/zinc/59/34/15/585593415.db2.gz PICXJRDRNXWQHH-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(F)CCCC1 ZINC000771886893 585603589 /nfs/dbraw/zinc/60/35/89/585603589.db2.gz FNIPEABODROADB-SNVBAGLBSA-N 1 2 239.294 1.670 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc(C2CC2)[nH]n1 ZINC000771899772 585604102 /nfs/dbraw/zinc/60/41/02/585604102.db2.gz GECGQGQFHNNTMS-UHFFFAOYSA-N 1 2 246.270 1.341 20 0 BDADLO C/C(=C\C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000771921878 585604760 /nfs/dbraw/zinc/60/47/60/585604760.db2.gz GTFVSNZHIAHRLB-CSKARUKUSA-N 1 2 220.272 1.783 20 0 BDADLO O=C(Cc1ccccc1O)OCCn1cc[nH+]c1 ZINC000771935890 585604927 /nfs/dbraw/zinc/60/49/27/585604927.db2.gz AYWBBOHFFFJTGE-UHFFFAOYSA-N 1 2 246.266 1.375 20 0 BDADLO Cc1cccc(CC(=O)OCCn2cc[nH+]c2)c1 ZINC000771952884 585605592 /nfs/dbraw/zinc/60/55/92/585605592.db2.gz WBUIFBWRAVBJDO-UHFFFAOYSA-N 1 2 244.294 1.977 20 0 BDADLO C[C@H](C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000771984467 585606129 /nfs/dbraw/zinc/60/61/29/585606129.db2.gz PSGCDYDLLNLVBT-VIFPVBQESA-N 1 2 208.261 1.472 20 0 BDADLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2C)nc1 ZINC000772279755 585611932 /nfs/dbraw/zinc/61/19/32/585611932.db2.gz YRQYXMHGPWSRSR-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000772279755 585611933 /nfs/dbraw/zinc/61/19/33/585611933.db2.gz YRQYXMHGPWSRSR-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ncccn1 ZINC000805461425 585612760 /nfs/dbraw/zinc/61/27/60/585612760.db2.gz CDNVKVLJOXLGIJ-UHFFFAOYSA-N 1 2 245.238 1.237 20 0 BDADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000772380733 585613624 /nfs/dbraw/zinc/61/36/24/585613624.db2.gz ZFCPZQWFMCACTF-SNVBAGLBSA-N 1 2 209.293 1.040 20 0 BDADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1C ZINC000772380733 585613625 /nfs/dbraw/zinc/61/36/25/585613625.db2.gz ZFCPZQWFMCACTF-SNVBAGLBSA-N 1 2 209.293 1.040 20 0 BDADLO CCc1nc(C(=O)OCCn2cc[nH+]c2)co1 ZINC000772390154 585614065 /nfs/dbraw/zinc/61/40/65/585614065.db2.gz ZBSJQVBUNHHOCG-UHFFFAOYSA-N 1 2 235.243 1.291 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 ZINC000772718326 585622050 /nfs/dbraw/zinc/62/20/50/585622050.db2.gz SDTUWXVTLHVEKQ-LLVKDONJSA-N 1 2 243.328 1.289 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 ZINC000772718326 585622051 /nfs/dbraw/zinc/62/20/51/585622051.db2.gz SDTUWXVTLHVEKQ-LLVKDONJSA-N 1 2 243.328 1.289 20 0 BDADLO CC[C@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805470573 585622996 /nfs/dbraw/zinc/62/29/96/585622996.db2.gz YVZWXQDZEAHHGT-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805470573 585622997 /nfs/dbraw/zinc/62/29/97/585622997.db2.gz YVZWXQDZEAHHGT-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2CCC2)C1 ZINC000805474809 585627247 /nfs/dbraw/zinc/62/72/47/585627247.db2.gz SNVZLLCQILNVHY-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCC2CCC2)C1 ZINC000805474809 585627248 /nfs/dbraw/zinc/62/72/48/585627248.db2.gz SNVZLLCQILNVHY-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncn(C)n1 ZINC000773145855 585632487 /nfs/dbraw/zinc/63/24/87/585632487.db2.gz NAGBAVCXRILWFP-ZDUSSCGKSA-N 1 2 242.326 1.901 20 0 BDADLO CS[C@H](C)CCC(=O)OCc1c[nH+]cn1C ZINC000773781804 585643802 /nfs/dbraw/zinc/64/38/02/585643802.db2.gz YCRCXPSZIYZIRJ-SECBINFHSA-N 1 2 242.344 1.995 20 0 BDADLO CC1=C(C(=O)NCCc2c[nH+]cn2C)CCCO1 ZINC000773830937 585644563 /nfs/dbraw/zinc/64/45/63/585644563.db2.gz RORVUCSRMCKTDZ-UHFFFAOYSA-N 1 2 249.314 1.163 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C=C1CCC1 ZINC000773828466 585644601 /nfs/dbraw/zinc/64/46/01/585644601.db2.gz BPYQCVHWLNDCHS-UHFFFAOYSA-N 1 2 219.288 1.189 20 0 BDADLO CC(C)C1(O)C[NH+]([C@@H](C)c2cccnc2)C1 ZINC000773896015 585646163 /nfs/dbraw/zinc/64/61/63/585646163.db2.gz FMBZBDVTAMJCQC-NSHDSACASA-N 1 2 220.316 1.845 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000774141124 585651552 /nfs/dbraw/zinc/65/15/52/585651552.db2.gz XEJDCGIGXJJWCB-QWRGUYRKSA-N 1 2 222.288 1.755 20 0 BDADLO CCc1nc(C(=O)OCc2c[nH+]cn2C)co1 ZINC000774140065 585651622 /nfs/dbraw/zinc/65/16/22/585651622.db2.gz RNLUSZBBGGEKGD-UHFFFAOYSA-N 1 2 235.243 1.328 20 0 BDADLO Cc1cc(COC(=O)[C@H]2CCCC[N@H+]2C)ncn1 ZINC000774237326 585654750 /nfs/dbraw/zinc/65/47/50/585654750.db2.gz VTMMXYKUUHZWLS-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cc(COC(=O)[C@H]2CCCC[N@@H+]2C)ncn1 ZINC000774237326 585654751 /nfs/dbraw/zinc/65/47/51/585654751.db2.gz VTMMXYKUUHZWLS-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000774727346 585664290 /nfs/dbraw/zinc/66/42/90/585664290.db2.gz CQZVMDGPOGPDTK-JTQLQIEISA-N 1 2 237.303 1.094 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000774727346 585664291 /nfs/dbraw/zinc/66/42/91/585664291.db2.gz CQZVMDGPOGPDTK-JTQLQIEISA-N 1 2 237.303 1.094 20 0 BDADLO OC[C@H]([NH2+]Cc1noc(C2CCC2)n1)C1CC1 ZINC000859250891 589024493 /nfs/dbraw/zinc/02/44/93/589024493.db2.gz QJLQIHCELHEEGS-JTQLQIEISA-N 1 2 237.303 1.198 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C=C(C)C)C1 ZINC000776307518 585695602 /nfs/dbraw/zinc/69/56/02/585695602.db2.gz WNNRKUZRILHSRC-UHFFFAOYSA-N 1 2 227.304 1.217 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000776421537 585698372 /nfs/dbraw/zinc/69/83/72/585698372.db2.gz SUTRWVCAVBLTDG-NEPJUHHUSA-N 1 2 241.331 1.298 20 0 BDADLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCF ZINC000776605605 585702519 /nfs/dbraw/zinc/70/25/19/585702519.db2.gz NTBXEWUETGLIRQ-UHFFFAOYSA-N 1 2 228.311 1.289 20 0 BDADLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CCF ZINC000776605605 585702520 /nfs/dbraw/zinc/70/25/20/585702520.db2.gz NTBXEWUETGLIRQ-UHFFFAOYSA-N 1 2 228.311 1.289 20 0 BDADLO O=C(NCc1ccon1)c1cccc2[nH+]ccn21 ZINC000776981302 585707179 /nfs/dbraw/zinc/70/71/79/585707179.db2.gz ZNVHFSGNHDQIKC-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO C/C=C/C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777457292 585712714 /nfs/dbraw/zinc/71/27/14/585712714.db2.gz MXFFIEOBHXWWLO-HDMKULJXSA-N 1 2 205.261 1.649 20 0 BDADLO Cn1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000777457709 585713007 /nfs/dbraw/zinc/71/30/07/585713007.db2.gz VPCSDYVVYPJFRS-SNVBAGLBSA-N 1 2 245.286 1.121 20 0 BDADLO Cc1ccc(C[N@H+](CC2OCCO2)C2CC2)o1 ZINC000777558176 585715041 /nfs/dbraw/zinc/71/50/41/585715041.db2.gz RIOUYIHNHYLOOT-UHFFFAOYSA-N 1 2 237.299 1.925 20 0 BDADLO Cc1ccc(C[N@@H+](CC2OCCO2)C2CC2)o1 ZINC000777558176 585715042 /nfs/dbraw/zinc/71/50/42/585715042.db2.gz RIOUYIHNHYLOOT-UHFFFAOYSA-N 1 2 237.299 1.925 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CN2C[C@H](C)CC2=O)CCO1 ZINC000777969897 585724760 /nfs/dbraw/zinc/72/47/60/585724760.db2.gz VSAQUTKIZGRMTG-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CN2C[C@H](C)CC2=O)CCO1 ZINC000777969897 585724761 /nfs/dbraw/zinc/72/47/61/585724761.db2.gz VSAQUTKIZGRMTG-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C(N)=O)co2)c(C)o1 ZINC000778200976 585727672 /nfs/dbraw/zinc/72/76/72/585727672.db2.gz CFMWCYPIEKNPSP-UHFFFAOYSA-N 1 2 248.282 1.878 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCCC1 ZINC000778253810 585729631 /nfs/dbraw/zinc/72/96/31/585729631.db2.gz URTXJWMYAJEEPK-LLVKDONJSA-N 1 2 248.330 1.393 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H](F)Cc1ccccc1 ZINC000778288130 585730450 /nfs/dbraw/zinc/73/04/50/585730450.db2.gz UMDKCOKXDFBUAD-LBPRGKRZSA-N 1 2 247.273 1.607 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H](F)Cc1ccccc1 ZINC000778288130 585730451 /nfs/dbraw/zinc/73/04/51/585730451.db2.gz UMDKCOKXDFBUAD-LBPRGKRZSA-N 1 2 247.273 1.607 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCC(=O)CC1 ZINC000778566792 585737441 /nfs/dbraw/zinc/73/74/41/585737441.db2.gz BEFACPIMMUBROB-UHFFFAOYSA-N 1 2 243.266 1.139 20 0 BDADLO CC(C)(C(=O)OCC(=O)C(F)F)[NH+]1CCCC1 ZINC000805611764 585738253 /nfs/dbraw/zinc/73/82/53/585738253.db2.gz USDVXEGVPZOTGL-UHFFFAOYSA-N 1 2 249.257 1.238 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(F)nc1 ZINC000779148346 585745992 /nfs/dbraw/zinc/74/59/92/585745992.db2.gz PIXFDMLWUIZYEW-UHFFFAOYSA-N 1 2 240.278 1.606 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(F)nc1 ZINC000779148346 585745993 /nfs/dbraw/zinc/74/59/93/585745993.db2.gz PIXFDMLWUIZYEW-UHFFFAOYSA-N 1 2 240.278 1.606 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc(OCCO)cc1 ZINC000779424071 585754887 /nfs/dbraw/zinc/75/48/87/585754887.db2.gz YGJDPNBWUMOSDG-SNVBAGLBSA-N 1 2 225.288 1.241 20 0 BDADLO CCn1nc(C)c([C@H]2COCC[N@@H+]2C)c1C ZINC000779614142 585757311 /nfs/dbraw/zinc/75/73/11/585757311.db2.gz RVIVEXQIBLAFCM-LLVKDONJSA-N 1 2 223.320 1.523 20 0 BDADLO CCn1nc(C)c([C@H]2COCC[N@H+]2C)c1C ZINC000779614142 585757312 /nfs/dbraw/zinc/75/73/12/585757312.db2.gz RVIVEXQIBLAFCM-LLVKDONJSA-N 1 2 223.320 1.523 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCC[NH+]1CCOCC1 ZINC000780848590 585785325 /nfs/dbraw/zinc/78/53/25/585785325.db2.gz PUIMESPIEHJENJ-QXMHVHEDSA-N 1 2 240.347 1.181 20 0 BDADLO CCCn1cc(C(=O)OCc2c[nH+]cn2C)cn1 ZINC000781805247 585803684 /nfs/dbraw/zinc/80/36/84/585803684.db2.gz DWHAMNYJGGELLN-UHFFFAOYSA-N 1 2 248.286 1.384 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782146968 585808454 /nfs/dbraw/zinc/80/84/54/585808454.db2.gz LLXWUIDALLHQLH-KOLCDFICSA-N 1 2 234.299 1.847 20 0 BDADLO OC[C@@]12C[C@@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000782406678 585817719 /nfs/dbraw/zinc/81/77/19/585817719.db2.gz MGEJULXFOJLWNU-MFKMUULPSA-N 1 2 231.299 1.173 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000782579479 585820221 /nfs/dbraw/zinc/82/02/21/585820221.db2.gz QGMKQUTXUMCSRS-LLVKDONJSA-N 1 2 243.347 1.278 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000782579479 585820222 /nfs/dbraw/zinc/82/02/22/585820222.db2.gz QGMKQUTXUMCSRS-LLVKDONJSA-N 1 2 243.347 1.278 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782616793 585822439 /nfs/dbraw/zinc/82/24/39/585822439.db2.gz MPDAOWDIVBLCRB-YPMHNXCESA-N 1 2 235.331 1.278 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782616793 585822440 /nfs/dbraw/zinc/82/24/40/585822440.db2.gz MPDAOWDIVBLCRB-YPMHNXCESA-N 1 2 235.331 1.278 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782630006 585823415 /nfs/dbraw/zinc/82/34/15/585823415.db2.gz WYCPJVLUBJDAAJ-WCQYABFASA-N 1 2 235.331 1.278 20 0 BDADLO CC(C)n1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782630006 585823416 /nfs/dbraw/zinc/82/34/16/585823416.db2.gz WYCPJVLUBJDAAJ-WCQYABFASA-N 1 2 235.331 1.278 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000782630203 585823468 /nfs/dbraw/zinc/82/34/68/585823468.db2.gz YMRPBBLDEBCBIS-USZNOCQGSA-N 1 2 243.347 1.826 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000782630203 585823469 /nfs/dbraw/zinc/82/34/69/585823469.db2.gz YMRPBBLDEBCBIS-USZNOCQGSA-N 1 2 243.347 1.826 20 0 BDADLO C/C=C/C=C\C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782727536 585824226 /nfs/dbraw/zinc/82/42/26/585824226.db2.gz GJLHYIKHVSOONZ-ICWBMWKASA-N 1 2 231.299 1.666 20 0 BDADLO C/C(=C/C(=O)N1CCn2cc(C)[nH+]c2C1)C1CC1 ZINC000782727065 585824233 /nfs/dbraw/zinc/82/42/33/585824233.db2.gz PVFZPNZDTNEHOT-YFHOEESVSA-N 1 2 245.326 1.890 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)OC1CC1 ZINC000783191742 585829660 /nfs/dbraw/zinc/82/96/60/585829660.db2.gz SDYDMVHAZGHRFW-UHFFFAOYSA-N 1 2 216.240 1.582 20 0 BDADLO C[C@@H]1C[N@H+](Cn2cc[nH]c2=S)[C@H](C)[C@H](C)O1 ZINC000783542419 585836262 /nfs/dbraw/zinc/83/62/62/585836262.db2.gz KDUVDXOGZSLKBX-BBBLOLIVSA-N 1 2 241.360 1.627 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2cc[nH]c2=S)[C@H](C)[C@H](C)O1 ZINC000783542419 585836263 /nfs/dbraw/zinc/83/62/63/585836263.db2.gz KDUVDXOGZSLKBX-BBBLOLIVSA-N 1 2 241.360 1.627 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCSC2=O)[C@@H](C)[C@H](C)O1 ZINC000783542278 585836320 /nfs/dbraw/zinc/83/63/20/585836320.db2.gz JFYBQRGNWFXFLL-UTLUCORTSA-N 1 2 244.360 1.610 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCSC2=O)[C@@H](C)[C@H](C)O1 ZINC000783542278 585836321 /nfs/dbraw/zinc/83/63/21/585836321.db2.gz JFYBQRGNWFXFLL-UTLUCORTSA-N 1 2 244.360 1.610 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCCCS2)CC[N@@H+]1C ZINC000783651655 585839273 /nfs/dbraw/zinc/83/92/73/585839273.db2.gz XSSFWKKSCYMUQY-GHMZBOCLSA-N 1 2 242.388 1.435 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCCCS2)CC[N@H+]1C ZINC000783651655 585839274 /nfs/dbraw/zinc/83/92/74/585839274.db2.gz XSSFWKKSCYMUQY-GHMZBOCLSA-N 1 2 242.388 1.435 20 0 BDADLO Cc1cncc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000783908901 585845853 /nfs/dbraw/zinc/84/58/53/585845853.db2.gz ZFJDNKNLXLVYHE-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO C[C@@]1(C(=O)OCCCn2cc[nH+]c2)CCCO1 ZINC000784084529 585848859 /nfs/dbraw/zinc/84/88/59/585848859.db2.gz LOCPROPJIRTOBV-LBPRGKRZSA-N 1 2 238.287 1.386 20 0 BDADLO CS[C@@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000784385951 585857930 /nfs/dbraw/zinc/85/79/30/585857930.db2.gz MNDSRZSJBNUXOT-JTQLQIEISA-N 1 2 242.344 1.958 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](F)C(C)C ZINC000784425165 585859305 /nfs/dbraw/zinc/85/93/05/585859305.db2.gz RNTXOXPGQDVOGZ-VIFPVBQESA-N 1 2 213.256 1.328 20 0 BDADLO Nc1cnccc1C(=O)OCCCn1cc[nH+]c1 ZINC000784446463 585860020 /nfs/dbraw/zinc/86/00/20/585860020.db2.gz GCZMSKLTJIZNKU-UHFFFAOYSA-N 1 2 246.270 1.107 20 0 BDADLO CC[C@@H](NC(=O)[C@H](F)C(C)C)c1[nH]cc[nH+]1 ZINC000784788858 585866076 /nfs/dbraw/zinc/86/60/76/585866076.db2.gz AJDJRYVQEKQACH-RKDXNWHRSA-N 1 2 227.283 1.971 20 0 BDADLO CC(C)[C@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000784771602 585866241 /nfs/dbraw/zinc/86/62/41/585866241.db2.gz QAWSDMSXLHGHKW-LBPRGKRZSA-N 1 2 240.303 1.223 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCCO1 ZINC000785431277 585873947 /nfs/dbraw/zinc/87/39/47/585873947.db2.gz YYQZJYNKKLQGNY-UHFFFAOYSA-N 1 2 231.255 1.502 20 0 BDADLO CC[C@]1(C)C[N@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000785494267 585874712 /nfs/dbraw/zinc/87/47/12/585874712.db2.gz DUBRQIZMSDUNGX-ASJRZHAZSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@]1(C)C[N@@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000785494267 585874713 /nfs/dbraw/zinc/87/47/13/585874713.db2.gz DUBRQIZMSDUNGX-ASJRZHAZSA-N 1 2 241.331 1.607 20 0 BDADLO CCC(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785744381 585879372 /nfs/dbraw/zinc/87/93/72/585879372.db2.gz UTBRZYSJJVDRMK-AOOOYVTPSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785744381 585879373 /nfs/dbraw/zinc/87/93/73/585879373.db2.gz UTBRZYSJJVDRMK-AOOOYVTPSA-N 1 2 227.304 1.382 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCC(C)(C)OC ZINC000786746474 585897021 /nfs/dbraw/zinc/89/70/21/585897021.db2.gz GLKJJRYRCIYNJK-QMMMGPOBSA-N 1 2 218.297 1.335 20 0 BDADLO COC(C)(C)CC(=O)OCCCn1cc[nH+]c1 ZINC000787124326 585901616 /nfs/dbraw/zinc/90/16/16/585901616.db2.gz DBDMVONRADVYSQ-UHFFFAOYSA-N 1 2 240.303 1.632 20 0 BDADLO CCN1CCC[N@H+](Cc2ccoc2)CC1=O ZINC000787416864 585908949 /nfs/dbraw/zinc/90/89/49/585908949.db2.gz JPNSFHHVLKRCDQ-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccoc2)CC1=O ZINC000787416864 585908950 /nfs/dbraw/zinc/90/89/50/585908950.db2.gz JPNSFHHVLKRCDQ-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO Nc1cc(COC(=O)c2cccc(O)c2)cc[nH+]1 ZINC000787577540 585912060 /nfs/dbraw/zinc/91/20/60/585912060.db2.gz BAJRNGQNBWMNMK-UHFFFAOYSA-N 1 2 244.250 1.726 20 0 BDADLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cn1 ZINC000787606135 585912733 /nfs/dbraw/zinc/91/27/33/585912733.db2.gz HELRTTNIHJTMSZ-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)C(C)(C)C)[NH+](C)C ZINC000787960950 585917974 /nfs/dbraw/zinc/91/79/74/585917974.db2.gz JHLQXNICMWWHKS-LLVKDONJSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)sn1 ZINC000788446159 585924046 /nfs/dbraw/zinc/92/40/46/585924046.db2.gz SKTMAHJVCQROOF-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO Cc1cc(C[N@H+]2CCC3(C2)OCCO3)sn1 ZINC000788446159 585924047 /nfs/dbraw/zinc/92/40/47/585924047.db2.gz SKTMAHJVCQROOF-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO CN(C)c1cc(CN(C)Cc2[nH]cc[nH+]2)ccn1 ZINC000788455921 585924775 /nfs/dbraw/zinc/92/47/75/585924775.db2.gz QIWNHFXBFAVQDF-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000789577086 585944346 /nfs/dbraw/zinc/94/43/46/585944346.db2.gz MUYSWIOBOGQYQC-SDDRHHMPSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)(C)OCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789612998 585946488 /nfs/dbraw/zinc/94/64/88/585946488.db2.gz SMFGATHBVZSVHX-JTQLQIEISA-N 1 2 244.335 1.869 20 0 BDADLO Cc1noc([C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000789628493 585947243 /nfs/dbraw/zinc/94/72/43/585947243.db2.gz XVPWMHPLPJIISG-HTRCEHHLSA-N 1 2 240.263 1.116 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C[C@H]1CCCO1 ZINC000789772983 585949841 /nfs/dbraw/zinc/94/98/41/585949841.db2.gz QOODWFLJSKNPEX-LLVKDONJSA-N 1 2 238.287 1.075 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)c1cccnc1 ZINC000789792715 585950271 /nfs/dbraw/zinc/95/02/71/585950271.db2.gz XUKWYBXGMDJJQO-UHFFFAOYSA-N 1 2 245.282 1.605 20 0 BDADLO CC1(C)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000790238888 585961766 /nfs/dbraw/zinc/96/17/66/585961766.db2.gz PKJQNIQLNMRGNW-UHFFFAOYSA-N 1 2 229.283 1.816 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1ncccn1 ZINC000790486735 585965588 /nfs/dbraw/zinc/96/55/88/585965588.db2.gz MCNLJDLYZGPAQB-UHFFFAOYSA-N 1 2 242.282 1.832 20 0 BDADLO CCC1=C(C(=O)NCc2[nH]cc[nH+]2)CCCO1 ZINC000790627058 585966962 /nfs/dbraw/zinc/96/69/62/585966962.db2.gz IXRUBMGMBHYESD-UHFFFAOYSA-N 1 2 235.287 1.500 20 0 BDADLO CC1(C)C[N@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC000790936374 585970801 /nfs/dbraw/zinc/97/08/01/585970801.db2.gz FNGRBVKDIIZFKG-LLVKDONJSA-N 1 2 236.315 1.755 20 0 BDADLO CC1(C)C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC000790936374 585970802 /nfs/dbraw/zinc/97/08/02/585970802.db2.gz FNGRBVKDIIZFKG-LLVKDONJSA-N 1 2 236.315 1.755 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000791559724 585984106 /nfs/dbraw/zinc/98/41/06/585984106.db2.gz YSHKPEXZKHPFOM-ZDUSSCGKSA-N 1 2 243.347 1.687 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000791559724 585984107 /nfs/dbraw/zinc/98/41/07/585984107.db2.gz YSHKPEXZKHPFOM-ZDUSSCGKSA-N 1 2 243.347 1.687 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CCCOC2)cc[nH+]1 ZINC000791837098 585989177 /nfs/dbraw/zinc/98/91/77/585989177.db2.gz AZGWEGXGFYRSDS-JTQLQIEISA-N 1 2 236.271 1.134 20 0 BDADLO C[C@@H](O)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000792116844 585996023 /nfs/dbraw/zinc/99/60/23/585996023.db2.gz FPRONUVSFQPBPO-ZYHUDNBSSA-N 1 2 237.299 1.213 20 0 BDADLO Nc1cc(COC(=O)c2cccc(F)n2)cc[nH+]1 ZINC000792119656 585996074 /nfs/dbraw/zinc/99/60/74/585996074.db2.gz KERRPUYSVDRLIE-UHFFFAOYSA-N 1 2 247.229 1.555 20 0 BDADLO CO[C@@H](C)CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792118347 585996140 /nfs/dbraw/zinc/99/61/40/585996140.db2.gz DCZZZAVUEZKDOH-VIFPVBQESA-N 1 2 238.287 1.522 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nonc2C)c1 ZINC000792312656 585999593 /nfs/dbraw/zinc/99/95/93/585999593.db2.gz GGBVNSVPYCWIJI-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nonc2C)c1 ZINC000792312656 585999594 /nfs/dbraw/zinc/99/95/94/585999594.db2.gz GGBVNSVPYCWIJI-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCc1nnc(C2CC[NH+](CCF)CC2)[nH]1 ZINC000792397653 586000230 /nfs/dbraw/zinc/00/02/30/586000230.db2.gz MSVWUZAZTWAWGS-UHFFFAOYSA-N 1 2 226.299 1.516 20 0 BDADLO CCc1n[nH]c(C2CC[NH+](CCF)CC2)n1 ZINC000792397653 586000231 /nfs/dbraw/zinc/00/02/31/586000231.db2.gz MSVWUZAZTWAWGS-UHFFFAOYSA-N 1 2 226.299 1.516 20 0 BDADLO CCc1nc(C2CC[NH+](CCF)CC2)n[nH]1 ZINC000792397653 586000232 /nfs/dbraw/zinc/00/02/32/586000232.db2.gz MSVWUZAZTWAWGS-UHFFFAOYSA-N 1 2 226.299 1.516 20 0 BDADLO CCn1cc(OC(=O)CCCn2cc[nH+]c2)cn1 ZINC000792577196 586003034 /nfs/dbraw/zinc/00/30/34/586003034.db2.gz HTNIUODAPBCCSP-UHFFFAOYSA-N 1 2 248.286 1.485 20 0 BDADLO CC[C@@](C)(OC)C(=O)OCCc1c[nH+]cn1C ZINC000793251847 586014970 /nfs/dbraw/zinc/01/49/70/586014970.db2.gz URPZVPUYUORQIC-GFCCVEGCSA-N 1 2 240.303 1.321 20 0 BDADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)co1 ZINC000793251085 586015140 /nfs/dbraw/zinc/01/51/40/586015140.db2.gz NVYCOHUOJHRIPV-UHFFFAOYSA-N 1 2 234.255 1.721 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nccn2C)n(C)n1 ZINC000793522770 586020995 /nfs/dbraw/zinc/02/09/95/586020995.db2.gz BLKRLGUQXXYSAR-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCc2ncccc21 ZINC000793690812 586025231 /nfs/dbraw/zinc/02/52/31/586025231.db2.gz UXJOCNHYUMQEMW-UHFFFAOYSA-N 1 2 242.282 1.327 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCc2ncccc21 ZINC000793690812 586025232 /nfs/dbraw/zinc/02/52/32/586025232.db2.gz UXJOCNHYUMQEMW-UHFFFAOYSA-N 1 2 242.282 1.327 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793885910 586028372 /nfs/dbraw/zinc/02/83/72/586028372.db2.gz GENVAQOVKKPUHE-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793885910 586028373 /nfs/dbraw/zinc/02/83/73/586028373.db2.gz GENVAQOVKKPUHE-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cccnc2F)c[nH+]1 ZINC000794007956 586030117 /nfs/dbraw/zinc/03/01/17/586030117.db2.gz BXEPTOLHCMZXMF-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CO ZINC000794213820 586035292 /nfs/dbraw/zinc/03/52/92/586035292.db2.gz QBQIFBDGLORSFI-UHFFFAOYSA-N 1 2 231.255 1.316 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3c(C)cccc3C2)[nH]1 ZINC000794352754 586038350 /nfs/dbraw/zinc/03/83/50/586038350.db2.gz BJPHBMHKXQOXOF-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3c(C)cccc3C2)[nH]1 ZINC000794352754 586038351 /nfs/dbraw/zinc/03/83/51/586038351.db2.gz BJPHBMHKXQOXOF-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO NC(=[NH+]O[C@@H]1CCOC1)c1ccccc1 ZINC000794520413 586041567 /nfs/dbraw/zinc/04/15/67/586041567.db2.gz UYRWSJXHMPHIKA-SNVBAGLBSA-N 1 2 206.245 1.322 20 0 BDADLO Cc1ccccc1CC(N)=[NH+]O[C@@H]1CCOC1 ZINC000794522545 586041744 /nfs/dbraw/zinc/04/17/44/586041744.db2.gz YXNDTOIPGHZEGW-GFCCVEGCSA-N 1 2 234.299 1.825 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H]1CCOC1 ZINC000794521671 586041818 /nfs/dbraw/zinc/04/18/18/586041818.db2.gz DXJSGOUBKOFLBW-NXEZZACHSA-N 1 2 230.308 1.335 20 0 BDADLO CCOC[C@@H]([NH2+]CC(=O)OCC(C)C)C(C)C ZINC000794599939 586045243 /nfs/dbraw/zinc/04/52/43/586045243.db2.gz IKJLTGZBSAZLTB-GFCCVEGCSA-N 1 2 245.363 1.836 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cncc(F)c1 ZINC000794884868 586053221 /nfs/dbraw/zinc/05/32/21/586053221.db2.gz UVQWKZQUDBTEEO-ZETCQYMHSA-N 1 2 227.239 1.254 20 0 BDADLO CCOC1CC(CO[NH+]=C(N)[C@H](C)OC)C1 ZINC000795216223 586072437 /nfs/dbraw/zinc/07/24/37/586072437.db2.gz ZHDMUDKHOSKLLB-IDKOKCKLSA-N 1 2 230.308 1.335 20 0 BDADLO CCO[C@@H](C[NH2+][C@@]1(C)CCOC1=O)C1CC1 ZINC000859309066 589029407 /nfs/dbraw/zinc/02/94/07/589029407.db2.gz CAAQLGWFOVINJJ-JQWIXIFHSA-N 1 2 227.304 1.097 20 0 BDADLO CCO[C@H](C[NH2+][C@]1(C)CCOC1=O)C1CC1 ZINC000859309068 589029664 /nfs/dbraw/zinc/02/96/64/589029664.db2.gz CAAQLGWFOVINJJ-ZYHUDNBSSA-N 1 2 227.304 1.097 20 0 BDADLO C[N@H+](CCOC1CCC1)[C@@H]1CC(C)(C)OC1=O ZINC000795676534 586090654 /nfs/dbraw/zinc/09/06/54/586090654.db2.gz MSWAEXOPTHLOIP-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+](CCOC1CCC1)[C@@H]1CC(C)(C)OC1=O ZINC000795676534 586090655 /nfs/dbraw/zinc/09/06/55/586090655.db2.gz MSWAEXOPTHLOIP-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO Cc1cccnc1C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795669834 586090916 /nfs/dbraw/zinc/09/09/16/586090916.db2.gz ZWPHVQNAVGKUGL-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cccnc1C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795669834 586090917 /nfs/dbraw/zinc/09/09/17/586090917.db2.gz ZWPHVQNAVGKUGL-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO O=C(Cc1ncccc1F)OCCn1cc[nH+]c1 ZINC000795783209 586092061 /nfs/dbraw/zinc/09/20/61/586092061.db2.gz DUGRHJJPAQMWKP-UHFFFAOYSA-N 1 2 249.245 1.203 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCOC1 ZINC000796203417 586098575 /nfs/dbraw/zinc/09/85/75/586098575.db2.gz NPQURIJGFNMBAR-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCOC1 ZINC000796203417 586098576 /nfs/dbraw/zinc/09/85/76/586098576.db2.gz NPQURIJGFNMBAR-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@]1([NH2+]CC(=O)OCC(C)C)CCOC1 ZINC000796443991 586103471 /nfs/dbraw/zinc/10/34/71/586103471.db2.gz YRKNELFZZFVOSN-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1ccc(C[N@H+](CCO)CCF)o1 ZINC000796558092 586106616 /nfs/dbraw/zinc/10/66/16/586106616.db2.gz CLZWVLHYCWDAPZ-UHFFFAOYSA-N 1 2 201.241 1.352 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)CCF)o1 ZINC000796558092 586106617 /nfs/dbraw/zinc/10/66/17/586106617.db2.gz CLZWVLHYCWDAPZ-UHFFFAOYSA-N 1 2 201.241 1.352 20 0 BDADLO O=C(C[NH+]1CCC(F)(F)CC1)NCC1CCC1 ZINC000796550050 586106954 /nfs/dbraw/zinc/10/69/54/586106954.db2.gz LBBSRBKUYFRCPL-UHFFFAOYSA-N 1 2 246.301 1.634 20 0 BDADLO C[C@H]1C[N@H+](CCF)C[C@@]2(CCCOC2)O1 ZINC000796606786 586108330 /nfs/dbraw/zinc/10/83/30/586108330.db2.gz JOIGMEHKGAEEHW-WDEREUQCSA-N 1 2 217.284 1.226 20 0 BDADLO C[C@H]1C[N@@H+](CCF)C[C@@]2(CCCOC2)O1 ZINC000796606786 586108331 /nfs/dbraw/zinc/10/83/31/586108331.db2.gz JOIGMEHKGAEEHW-WDEREUQCSA-N 1 2 217.284 1.226 20 0 BDADLO CC1=CCC[N@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000797822135 586132301 /nfs/dbraw/zinc/13/23/01/586132301.db2.gz KMRDTIPPUKVCGF-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO CC1=CCC[N@@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000797822135 586132302 /nfs/dbraw/zinc/13/23/02/586132302.db2.gz KMRDTIPPUKVCGF-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO Cc1cc(C)cc(-n2ncc(C[NH2+]CCF)n2)c1 ZINC000798087064 586136778 /nfs/dbraw/zinc/13/67/78/586136778.db2.gz DULSLHBQFZFXQV-UHFFFAOYSA-N 1 2 248.305 1.943 20 0 BDADLO Cc1ccc(NCc2cn(C)c[nH+]2)cc1C(N)=O ZINC000798228567 586141237 /nfs/dbraw/zinc/14/12/37/586141237.db2.gz NDQJPEFJBANTSM-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1CC1 ZINC000798623777 586146542 /nfs/dbraw/zinc/14/65/42/586146542.db2.gz UYZYJRYFBPFCSP-GXSJLCMTSA-N 1 2 239.315 1.382 20 0 BDADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)C1CC1 ZINC000798623777 586146543 /nfs/dbraw/zinc/14/65/43/586146543.db2.gz UYZYJRYFBPFCSP-GXSJLCMTSA-N 1 2 239.315 1.382 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000859318526 589031144 /nfs/dbraw/zinc/03/11/44/589031144.db2.gz GGIUUTRYKQNPEW-ZDUSSCGKSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000859318526 589031146 /nfs/dbraw/zinc/03/11/46/589031146.db2.gz GGIUUTRYKQNPEW-ZDUSSCGKSA-N 1 2 244.354 1.973 20 0 BDADLO CC[C@@H]1C[N@H+](Cn2cc(Cl)cn2)CCCO1 ZINC000799162028 586163275 /nfs/dbraw/zinc/16/32/75/586163275.db2.gz KFAGTUZNUQXCRR-LLVKDONJSA-N 1 2 243.738 1.995 20 0 BDADLO CC[C@@H]1C[N@@H+](Cn2cc(Cl)cn2)CCCO1 ZINC000799162028 586163278 /nfs/dbraw/zinc/16/32/78/586163278.db2.gz KFAGTUZNUQXCRR-LLVKDONJSA-N 1 2 243.738 1.995 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000800307333 586210731 /nfs/dbraw/zinc/21/07/31/586210731.db2.gz WCNDMBBJMJVMQM-HBNTYKKESA-N 1 2 238.287 1.240 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000800395107 586215853 /nfs/dbraw/zinc/21/58/53/586215853.db2.gz OWNNESKBUKUGPU-NGZCFLSTSA-N 1 2 238.287 1.277 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801559409 586261944 /nfs/dbraw/zinc/26/19/44/586261944.db2.gz IIXWUOTXNNUPBR-KXUCPTDWSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801559409 586261945 /nfs/dbraw/zinc/26/19/45/586261945.db2.gz IIXWUOTXNNUPBR-KXUCPTDWSA-N 1 2 235.274 1.520 20 0 BDADLO FC(F)COCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801568847 586264657 /nfs/dbraw/zinc/26/46/57/586264657.db2.gz XHCHDNNBZUTILU-SSDOTTSWSA-N 1 2 245.216 1.234 20 0 BDADLO FC(F)COCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801568847 586264659 /nfs/dbraw/zinc/26/46/59/586264659.db2.gz XHCHDNNBZUTILU-SSDOTTSWSA-N 1 2 245.216 1.234 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCF)O1 ZINC000801599885 586265768 /nfs/dbraw/zinc/26/57/68/586265768.db2.gz GVFUKMZMHVTUMA-DBIOUOCHSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCF)O1 ZINC000801599885 586265770 /nfs/dbraw/zinc/26/57/70/586265770.db2.gz GVFUKMZMHVTUMA-DBIOUOCHSA-N 1 2 245.294 1.139 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477421 589039956 /nfs/dbraw/zinc/03/99/56/589039956.db2.gz CTWDVOBHPNUZGL-LBPRGKRZSA-N 1 2 233.267 1.413 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477421 589039958 /nfs/dbraw/zinc/03/99/58/589039958.db2.gz CTWDVOBHPNUZGL-LBPRGKRZSA-N 1 2 233.267 1.413 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CN1CCC(C)(C)C1=O ZINC000839956972 586294046 /nfs/dbraw/zinc/29/40/46/586294046.db2.gz AQKGJCKEHNMPJH-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CN1CCC(C)(C)C1=O ZINC000839956972 586294048 /nfs/dbraw/zinc/29/40/48/586294048.db2.gz AQKGJCKEHNMPJH-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802238468 586298680 /nfs/dbraw/zinc/29/86/80/586298680.db2.gz FHGGFBPBRUGZKT-VIFPVBQESA-N 1 2 203.257 1.229 20 0 BDADLO CC[C@H](C)OCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802232907 586297791 /nfs/dbraw/zinc/29/77/91/586297791.db2.gz LTUQVNZLUPOCGR-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@H](C)OCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802232907 586297792 /nfs/dbraw/zinc/29/77/92/586297792.db2.gz LTUQVNZLUPOCGR-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO COCC(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802237728 586298253 /nfs/dbraw/zinc/29/82/53/586298253.db2.gz JLCKJYGPEUFLSN-JTQLQIEISA-N 1 2 247.310 1.246 20 0 BDADLO COCC(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802237728 586298255 /nfs/dbraw/zinc/29/82/55/586298255.db2.gz JLCKJYGPEUFLSN-JTQLQIEISA-N 1 2 247.310 1.246 20 0 BDADLO C[C@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCOC1 ZINC000802238660 586298552 /nfs/dbraw/zinc/29/85/52/586298552.db2.gz JRUZPDAVZIBNEU-JQWIXIFHSA-N 1 2 245.294 1.000 20 0 BDADLO C[C@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC000802238660 586298555 /nfs/dbraw/zinc/29/85/55/586298555.db2.gz JRUZPDAVZIBNEU-JQWIXIFHSA-N 1 2 245.294 1.000 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802241323 586298570 /nfs/dbraw/zinc/29/85/70/586298570.db2.gz ZPIODCDZHOIMPD-SDDRHHMPSA-N 1 2 243.322 1.866 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241323 586298571 /nfs/dbraw/zinc/29/85/71/586298571.db2.gz ZPIODCDZHOIMPD-SDDRHHMPSA-N 1 2 243.322 1.866 20 0 BDADLO CC1C[NH+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000802651368 586307863 /nfs/dbraw/zinc/30/78/63/586307863.db2.gz NQKGTXGPZYZIPB-UHFFFAOYSA-N 1 2 228.299 1.719 20 0 BDADLO FC(F)[C@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000802653990 586308097 /nfs/dbraw/zinc/30/80/97/586308097.db2.gz BVSJPBBMIPGGNA-NXEZZACHSA-N 1 2 233.258 1.645 20 0 BDADLO FC(F)[C@H]1C[N@@H+](C[C@H]2CCC=CO2)CCO1 ZINC000802653990 586308098 /nfs/dbraw/zinc/30/80/98/586308098.db2.gz BVSJPBBMIPGGNA-NXEZZACHSA-N 1 2 233.258 1.645 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000839974934 586309714 /nfs/dbraw/zinc/30/97/14/586309714.db2.gz UWFRBBORMJBIKJ-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)OC(C)(C)C2)C1=O ZINC000839974934 586309717 /nfs/dbraw/zinc/30/97/17/586309717.db2.gz UWFRBBORMJBIKJ-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C[C@H](C)CC)C1 ZINC000802772765 586313208 /nfs/dbraw/zinc/31/32/08/586313208.db2.gz UQNQEIBZVNNYDO-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO C/C=C(/C)C(=O)OCCCc1[nH+]ccn1C ZINC000802786666 586314484 /nfs/dbraw/zinc/31/44/84/586314484.db2.gz WVEWQRZKXALCKN-WMZJFQQLSA-N 1 2 222.288 1.862 20 0 BDADLO CCc1[nH]ccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000803777738 586373446 /nfs/dbraw/zinc/37/34/46/586373446.db2.gz NDOWXZRVRBNLSD-UHFFFAOYSA-N 1 2 245.282 1.911 20 0 BDADLO CS/C=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804334837 586390699 /nfs/dbraw/zinc/39/06/99/586390699.db2.gz KOSIWJYBWMAYFG-XNPJLODASA-N 1 2 237.328 1.191 20 0 BDADLO C[C@H]1CN(C[NH+]2CCC(F)(F)CC2)C(=O)[C@H]1C ZINC000840060215 586410554 /nfs/dbraw/zinc/41/05/54/586410554.db2.gz LWXYPPLNUKNIKD-UWVGGRQHSA-N 1 2 246.301 1.789 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000806865785 586420053 /nfs/dbraw/zinc/42/00/53/586420053.db2.gz DNMQWZWTAXXAQX-JTQLQIEISA-N 1 2 237.347 1.761 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@H](F)C2)C(=O)[C@@H]1C ZINC000840114683 586448630 /nfs/dbraw/zinc/44/86/30/586448630.db2.gz NLIUQXGELDJVPG-AEJSXWLSSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@H](F)C2)C(=O)[C@@H]1C ZINC000840114683 586448632 /nfs/dbraw/zinc/44/86/32/586448632.db2.gz NLIUQXGELDJVPG-AEJSXWLSSA-N 1 2 214.284 1.102 20 0 BDADLO O=C1[C@H]2CCCCC[C@@H]2N1C[N@H+]1CC[C@@H](F)C1 ZINC000840115106 586448787 /nfs/dbraw/zinc/44/87/87/586448787.db2.gz RWMQCSNCTJGAIB-WOPDTQHZSA-N 1 2 240.322 1.779 20 0 BDADLO O=C1[C@H]2CCCCC[C@@H]2N1C[N@@H+]1CC[C@@H](F)C1 ZINC000840115106 586448789 /nfs/dbraw/zinc/44/87/89/586448789.db2.gz RWMQCSNCTJGAIB-WOPDTQHZSA-N 1 2 240.322 1.779 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CN1CC(C)(C)CC1=O ZINC000808171297 586466176 /nfs/dbraw/zinc/46/61/76/586466176.db2.gz KHFSCQBILXBYPE-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CN1CC(C)(C)CC1=O ZINC000808171297 586466178 /nfs/dbraw/zinc/46/61/78/586466178.db2.gz KHFSCQBILXBYPE-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO Cn1cnc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000808390103 586470122 /nfs/dbraw/zinc/47/01/22/586470122.db2.gz ZMMBLENESZFFML-CYBMUJFWSA-N 1 2 249.289 1.382 20 0 BDADLO COCCCn1ccc(NCc2cn(C)c[nH+]2)n1 ZINC000808395807 586470992 /nfs/dbraw/zinc/47/09/92/586470992.db2.gz PIVSFXDKXAPUCZ-UHFFFAOYSA-N 1 2 249.318 1.265 20 0 BDADLO Cn1c[nH+]c(CNc2cccc([S@](C)=O)c2)c1 ZINC000808397601 586471347 /nfs/dbraw/zinc/47/13/47/586471347.db2.gz QLTSMCXQUWYARO-KRWDZBQOSA-N 1 2 249.339 1.770 20 0 BDADLO Cn1c[nH+]c(CNc2cc3n(n2)CCCC3)c1 ZINC000808415633 586471704 /nfs/dbraw/zinc/47/17/04/586471704.db2.gz NGSINTCBYJZNMA-UHFFFAOYSA-N 1 2 231.303 1.565 20 0 BDADLO Clc1cccc2c1C[N@H+](Cn1cnnc1)CC2 ZINC000840159052 586495462 /nfs/dbraw/zinc/49/54/62/586495462.db2.gz XBZPAFWLSDRZNS-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cccc2c1C[N@@H+](Cn1cnnc1)CC2 ZINC000840159052 586495464 /nfs/dbraw/zinc/49/54/64/586495464.db2.gz XBZPAFWLSDRZNS-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cn1cc[nH+]c1CN1Cc2ccncc2C1 ZINC000809566064 586507337 /nfs/dbraw/zinc/50/73/37/586507337.db2.gz VRZBNTTVNYROJK-UHFFFAOYSA-N 1 2 214.272 1.331 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2CCOC2=O)CCC1(F)F ZINC000810044506 586531761 /nfs/dbraw/zinc/53/17/61/586531761.db2.gz BVEGNMQPNNGRJP-JGVFFNPUSA-N 1 2 219.231 1.279 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2CCOC2=O)CCC1(F)F ZINC000810044506 586531762 /nfs/dbraw/zinc/53/17/62/586531762.db2.gz BVEGNMQPNNGRJP-JGVFFNPUSA-N 1 2 219.231 1.279 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000810045940 586532569 /nfs/dbraw/zinc/53/25/69/586532569.db2.gz ZACHPJKZNLYUJV-ZETCQYMHSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nonc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000810045940 586532571 /nfs/dbraw/zinc/53/25/71/586532571.db2.gz ZACHPJKZNLYUJV-ZETCQYMHSA-N 1 2 231.246 1.855 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1(F)CCCCC1 ZINC000810365215 586538427 /nfs/dbraw/zinc/53/84/27/586538427.db2.gz GODVBAZFVJNNKZ-UHFFFAOYSA-N 1 2 238.262 1.820 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC[N@@H+]1C ZINC000810442390 586539088 /nfs/dbraw/zinc/53/90/88/586539088.db2.gz QZUKPHZZGUCXDV-RQJHMYQMSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC[N@H+]1C ZINC000810442390 586539089 /nfs/dbraw/zinc/53/90/89/586539089.db2.gz QZUKPHZZGUCXDV-RQJHMYQMSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000810442390 586539090 /nfs/dbraw/zinc/53/90/90/586539090.db2.gz QZUKPHZZGUCXDV-RQJHMYQMSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000810442390 586539091 /nfs/dbraw/zinc/53/90/91/586539091.db2.gz QZUKPHZZGUCXDV-RQJHMYQMSA-N 1 2 242.216 1.049 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCSC1 ZINC000810719254 586545458 /nfs/dbraw/zinc/54/54/58/586545458.db2.gz DQAZVQGYINSTGE-JTQLQIEISA-N 1 2 240.328 1.570 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)C1CCCC1 ZINC000810755225 586546400 /nfs/dbraw/zinc/54/64/00/586546400.db2.gz RSIWPRLXFHOCED-JTQLQIEISA-N 1 2 235.331 1.863 20 0 BDADLO O=C(OCC1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000810964083 586551919 /nfs/dbraw/zinc/55/19/19/586551919.db2.gz RKLGLCRGIHXPNJ-UHFFFAOYSA-N 1 2 247.285 1.917 20 0 BDADLO C/C(=C/C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000811589488 586561704 /nfs/dbraw/zinc/56/17/04/586561704.db2.gz WUBGTIOPEZFIMA-UITAMQMPSA-N 1 2 219.288 1.393 20 0 BDADLO CCC/C(C)=C\C(=O)NCc1c[nH+]cn1C ZINC000811588357 586561770 /nfs/dbraw/zinc/56/17/70/586561770.db2.gz HJMPHNNVGNHWSF-POHAHGRESA-N 1 2 221.304 1.783 20 0 BDADLO S=c1ncccn1CN1CCn2c[nH+]cc2C1 ZINC000811787692 586566815 /nfs/dbraw/zinc/56/68/15/586566815.db2.gz PIOGGOQDFWLZIJ-UHFFFAOYSA-N 1 2 247.327 1.282 20 0 BDADLO COCCOC[C@H](C)Nc1ccc(OC)c[nH+]1 ZINC000811807799 586566992 /nfs/dbraw/zinc/56/69/92/586566992.db2.gz KPENAGZMOHKRGK-JTQLQIEISA-N 1 2 240.303 1.554 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)NC1=[NH+]CCS1 ZINC000812448323 586577306 /nfs/dbraw/zinc/57/73/06/586577306.db2.gz SVNWMYLTTGPODL-JGVFFNPUSA-N 1 2 230.333 1.124 20 0 BDADLO CC[N@H+](CC(=O)OCC(C)C)[C@H]1CCOC1 ZINC000812879337 586588150 /nfs/dbraw/zinc/58/81/50/586588150.db2.gz OKIVRQLHSFIRMD-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC[N@@H+](CC(=O)OCC(C)C)[C@H]1CCOC1 ZINC000812879337 586588151 /nfs/dbraw/zinc/58/81/51/586588151.db2.gz OKIVRQLHSFIRMD-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO NC(COC[C@H]1CCCO1)=[NH+]OCC1CCC1 ZINC000842656727 586589031 /nfs/dbraw/zinc/58/90/31/586589031.db2.gz OTMMVLNFBJRCIX-LLVKDONJSA-N 1 2 242.319 1.481 20 0 BDADLO CCCCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842660807 586589238 /nfs/dbraw/zinc/58/92/38/586589238.db2.gz KRUQHVPUSDVUMW-NSHDSACASA-N 1 2 244.335 1.728 20 0 BDADLO C[C@@H]1COCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000840277749 586589932 /nfs/dbraw/zinc/58/99/32/586589932.db2.gz LNJVWEDLWJBPLX-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1COCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000840277749 586589933 /nfs/dbraw/zinc/58/99/33/586589933.db2.gz LNJVWEDLWJBPLX-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO CC(C)=C(C)C(=O)NCc1c[nH+]cn1C ZINC000813256006 586598601 /nfs/dbraw/zinc/59/86/01/586598601.db2.gz GWJNDCLZPRHZBK-UHFFFAOYSA-N 1 2 207.277 1.393 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCc1c[nH+]cn1C ZINC000813256338 586598780 /nfs/dbraw/zinc/59/87/80/586598780.db2.gz CKUOTTKOJOMOBP-MDZDMXLPSA-N 1 2 221.304 1.783 20 0 BDADLO CCOC(=O)CC(C)(C)C[NH2+][C@H](C)C(=O)OC ZINC000813338895 586600670 /nfs/dbraw/zinc/60/06/70/586600670.db2.gz UQWCCBCHRYVIIV-SECBINFHSA-N 1 2 245.319 1.117 20 0 BDADLO Cn1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814181003 586616139 /nfs/dbraw/zinc/61/61/39/586616139.db2.gz VANGYINTPIEFRZ-NSHDSACASA-N 1 2 236.315 1.551 20 0 BDADLO Cn1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814181003 586616140 /nfs/dbraw/zinc/61/61/40/586616140.db2.gz VANGYINTPIEFRZ-NSHDSACASA-N 1 2 236.315 1.551 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=S)NC1CCC1 ZINC000814195089 586616496 /nfs/dbraw/zinc/61/64/96/586616496.db2.gz UQZCFDJDXQDRJS-SECBINFHSA-N 1 2 238.360 1.288 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000814299599 586621015 /nfs/dbraw/zinc/62/10/15/586621015.db2.gz YSEOHEMUJOUVBE-JTQLQIEISA-N 1 2 234.278 1.715 20 0 BDADLO O=C(NCC[NH+]1CCCC1)[C@H](F)C(F)(F)F ZINC000814803361 586635884 /nfs/dbraw/zinc/63/58/84/586635884.db2.gz DPFQLASGKOSHPF-ZETCQYMHSA-N 1 2 242.216 1.099 20 0 BDADLO O=C(NCC[NH+]1CCCC1)C(F)C(F)(F)F ZINC000814803361 586635886 /nfs/dbraw/zinc/63/58/86/586635886.db2.gz DPFQLASGKOSHPF-ZETCQYMHSA-N 1 2 242.216 1.099 20 0 BDADLO c1cnc(C[NH+]2CCC3(CC2)OCCCO3)nc1 ZINC000815158266 586671067 /nfs/dbraw/zinc/67/10/67/586671067.db2.gz ITHWQHQISOJZGV-UHFFFAOYSA-N 1 2 249.314 1.206 20 0 BDADLO C(C1CCC1)[C@H]1COCC[N@@H+]1CC1OCCO1 ZINC000815291924 586677204 /nfs/dbraw/zinc/67/72/04/586677204.db2.gz LHENBWFGFLNCGZ-LBPRGKRZSA-N 1 2 241.331 1.250 20 0 BDADLO C(C1CCC1)[C@H]1COCC[N@H+]1CC1OCCO1 ZINC000815291924 586677206 /nfs/dbraw/zinc/67/72/06/586677206.db2.gz LHENBWFGFLNCGZ-LBPRGKRZSA-N 1 2 241.331 1.250 20 0 BDADLO CC(F)(F)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000815328319 586679523 /nfs/dbraw/zinc/67/95/23/586679523.db2.gz NSYSBIKKKHZBIL-UHFFFAOYSA-N 1 2 242.225 1.326 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859789114 589061757 /nfs/dbraw/zinc/06/17/57/589061757.db2.gz KRPHZJKRCAUUKX-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H](C(=O)OCc1c[nH+]cn1C)C(C)(F)F ZINC000815967717 586700300 /nfs/dbraw/zinc/70/03/00/586700300.db2.gz KDQAWFDQKSYOEV-ZETCQYMHSA-N 1 2 232.230 1.755 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859789114 589061759 /nfs/dbraw/zinc/06/17/59/589061759.db2.gz KRPHZJKRCAUUKX-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccc(F)nc1 ZINC000816637081 586746082 /nfs/dbraw/zinc/74/60/82/586746082.db2.gz RHZNMEXSNCQBQG-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccc(F)nc1 ZINC000816637081 586746083 /nfs/dbraw/zinc/74/60/83/586746083.db2.gz RHZNMEXSNCQBQG-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO Cc1ccccc1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816819891 586766406 /nfs/dbraw/zinc/76/64/06/586766406.db2.gz SOBFJVHKTKCMRM-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816903442 586770657 /nfs/dbraw/zinc/77/06/57/586770657.db2.gz DJPVEVJNHSOGTO-SNVBAGLBSA-N 1 2 221.304 1.599 20 0 BDADLO CCC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816944702 586772630 /nfs/dbraw/zinc/77/26/30/586772630.db2.gz JDDKOHQILOCCCQ-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc(F)ccc1O ZINC000816943982 586772649 /nfs/dbraw/zinc/77/26/49/586772649.db2.gz OLWUWJISWNEPED-UHFFFAOYSA-N 1 2 235.218 1.436 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CC23CC3)cc[nH+]1 ZINC000817233828 586788594 /nfs/dbraw/zinc/78/85/94/586788594.db2.gz XJFIILLOHJBFAA-VIFPVBQESA-N 1 2 218.256 1.507 20 0 BDADLO CC[C@H]1C[NH+](Cc2nonc2C)C[C@H](CC)O1 ZINC000817280400 586792629 /nfs/dbraw/zinc/79/26/29/586792629.db2.gz FCMYPUXVQMXCMX-QWRGUYRKSA-N 1 2 239.319 1.767 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1CC12CC2 ZINC000817731840 586822088 /nfs/dbraw/zinc/82/20/88/586822088.db2.gz ZGSYWJATSMOAIL-JTQLQIEISA-N 1 2 234.299 1.696 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2c[nH]nc2C)n1 ZINC000818344678 586887190 /nfs/dbraw/zinc/88/71/90/586887190.db2.gz PSUZDQFZCCWZCD-QMMMGPOBSA-N 1 2 248.334 1.489 20 0 BDADLO Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C(=O)[O-])n2c1 ZINC000818936038 586916030 /nfs/dbraw/zinc/91/60/30/586916030.db2.gz BRZREUSUOUFMCX-VIFPVBQESA-N 1 2 233.271 1.205 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C\[C@H]1CCCO1 ZINC000819346200 586955265 /nfs/dbraw/zinc/95/52/65/586955265.db2.gz UGOSJLCRCXJFIH-UMCURTJPSA-N 1 2 235.287 1.070 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccns1 ZINC000860057263 589077782 /nfs/dbraw/zinc/07/77/82/589077782.db2.gz OLJRYZBROKFGPJ-ZETCQYMHSA-N 1 2 235.316 1.366 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(F)=C1CCC1)CC2 ZINC000819486609 586969111 /nfs/dbraw/zinc/96/91/11/586969111.db2.gz ZYTGLNZWCLVQAH-UHFFFAOYSA-N 1 2 249.289 1.941 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C\[C@@H]1CCCO1 ZINC000819555312 586976861 /nfs/dbraw/zinc/97/68/61/586976861.db2.gz AXEFGBYUEHUJOR-GZTOBOFZSA-N 1 2 249.314 1.254 20 0 BDADLO CO[C@@H](C)CCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819774953 586992322 /nfs/dbraw/zinc/99/23/22/586992322.db2.gz AEOUSHNQVSCPNE-JGVFFNPUSA-N 1 2 230.333 1.409 20 0 BDADLO CC[C@@H](SC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775717 586992484 /nfs/dbraw/zinc/99/24/84/586992484.db2.gz FWGIZJGURSRYLN-NKWVEPMBSA-N 1 2 232.374 1.736 20 0 BDADLO CSC[C@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775272 586992796 /nfs/dbraw/zinc/99/27/96/586992796.db2.gz YGHIBCUOMTUCER-BQBZGAKWSA-N 1 2 232.374 1.593 20 0 BDADLO CCC(C)(C)OCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819783042 586994399 /nfs/dbraw/zinc/99/43/99/586994399.db2.gz YRQBWQCQVXFWSB-QMMMGPOBSA-N 1 2 244.360 1.799 20 0 BDADLO CC/C=C(\C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000819973519 587009031 /nfs/dbraw/zinc/00/90/31/587009031.db2.gz YHWKMQYQQMVBIF-RUDMXATFSA-N 1 2 219.288 1.651 20 0 BDADLO CC/C=C(\C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000819973519 587009034 /nfs/dbraw/zinc/00/90/34/587009034.db2.gz YHWKMQYQQMVBIF-RUDMXATFSA-N 1 2 219.288 1.651 20 0 BDADLO O=C(/C=C/C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000819972632 587009199 /nfs/dbraw/zinc/00/91/99/587009199.db2.gz ISKMPZSYBIXXMH-ONEGZZNKSA-N 1 2 217.272 1.261 20 0 BDADLO O=C(/C=C/C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000819972632 587009202 /nfs/dbraw/zinc/00/92/02/587009202.db2.gz ISKMPZSYBIXXMH-ONEGZZNKSA-N 1 2 217.272 1.261 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CCCNc1cccc[nH+]1 ZINC000820085037 587020116 /nfs/dbraw/zinc/02/01/16/587020116.db2.gz QGZNXSIMAMQYLT-JTQLQIEISA-N 1 2 237.303 1.336 20 0 BDADLO CC1(C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820177417 587032476 /nfs/dbraw/zinc/03/24/76/587032476.db2.gz SRHGWUPKHBEYRI-RKDXNWHRSA-N 1 2 219.288 1.524 20 0 BDADLO CC1(C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820177417 587032478 /nfs/dbraw/zinc/03/24/78/587032478.db2.gz SRHGWUPKHBEYRI-RKDXNWHRSA-N 1 2 219.288 1.524 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CCCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000820228853 587036819 /nfs/dbraw/zinc/03/68/19/587036819.db2.gz UXUOSOBCSLCEGG-WDEREUQCSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CCCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000820228853 587036821 /nfs/dbraw/zinc/03/68/21/587036821.db2.gz UXUOSOBCSLCEGG-WDEREUQCSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1ccncn1)c1[nH]cc[nH+]1 ZINC000820267628 587039181 /nfs/dbraw/zinc/03/91/81/587039181.db2.gz GSBXQSWJKQFRTM-GKQMSVHHSA-N 1 2 243.270 1.090 20 0 BDADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)n1cccn1 ZINC000820858198 587077686 /nfs/dbraw/zinc/07/76/86/587077686.db2.gz QGMIQTWTARXDRG-NSHDSACASA-N 1 2 248.286 1.274 20 0 BDADLO O=Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c32)co1 ZINC000820941985 587083555 /nfs/dbraw/zinc/08/35/55/587083555.db2.gz KWQLQIBHAIMWFV-JTQLQIEISA-N 1 2 245.238 1.163 20 0 BDADLO C[C@@H](N(C)C(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000820982652 587085847 /nfs/dbraw/zinc/08/58/47/587085847.db2.gz CSANVIGIDSJYDH-SECBINFHSA-N 1 2 223.320 1.845 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC000821262534 587104112 /nfs/dbraw/zinc/10/41/12/587104112.db2.gz VWANZLLVXGVHJS-NSHDSACASA-N 1 2 224.329 1.121 20 0 BDADLO CSC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC000821262534 587104113 /nfs/dbraw/zinc/10/41/13/587104113.db2.gz VWANZLLVXGVHJS-NSHDSACASA-N 1 2 224.329 1.121 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821423054 587118842 /nfs/dbraw/zinc/11/88/42/587118842.db2.gz QYWYMOXAESBNJR-ZJRFNNFUSA-N 1 2 233.315 1.596 20 0 BDADLO CC[C@](C)(O)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821785783 587137826 /nfs/dbraw/zinc/13/78/26/587137826.db2.gz HDJTXEYXRHQPPU-PTRXPTGYSA-N 1 2 237.303 1.166 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000822017084 587149188 /nfs/dbraw/zinc/14/91/88/587149188.db2.gz HXWKSDZTUPEFKC-VXGBXAGGSA-N 1 2 234.299 1.350 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822404051 587166056 /nfs/dbraw/zinc/16/60/56/587166056.db2.gz GFAJVEKYROLLAY-WPCUQIPDSA-N 1 2 247.342 1.984 20 0 BDADLO COC[C@H]([NH3+])c1nc(Cc2ccc(C)nc2)no1 ZINC000822755953 587184743 /nfs/dbraw/zinc/18/47/43/587184743.db2.gz OCVDDBKNLQLGCH-JTQLQIEISA-N 1 2 248.286 1.010 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000822926910 587193848 /nfs/dbraw/zinc/19/38/48/587193848.db2.gz UTQUXHRYWRCPOO-JTQLQIEISA-N 1 2 235.331 1.772 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000822926910 587193849 /nfs/dbraw/zinc/19/38/49/587193849.db2.gz UTQUXHRYWRCPOO-JTQLQIEISA-N 1 2 235.331 1.772 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822944114 587195082 /nfs/dbraw/zinc/19/50/82/587195082.db2.gz OQOWTYQBEKKRKA-NIJZVALHSA-N 1 2 247.342 1.936 20 0 BDADLO CCc1cc(NC(=O)C=Cc2cn(C)c[nH+]2)n[nH]1 ZINC000822971250 587196380 /nfs/dbraw/zinc/19/63/80/587196380.db2.gz AXODRWSCTKYWEU-SNAWJCMRSA-N 1 2 245.286 1.358 20 0 BDADLO CN(Cc1ccoc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000823147994 587205570 /nfs/dbraw/zinc/20/55/70/587205570.db2.gz XAWKMCNXGVOVKA-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO CC1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000823347229 587217264 /nfs/dbraw/zinc/21/72/64/587217264.db2.gz HFGUXLMYAOPAHT-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)C2CC2)n1 ZINC000823400135 587219349 /nfs/dbraw/zinc/21/93/49/587219349.db2.gz XGSXDZRBKMILFH-UHFFFAOYSA-N 1 2 208.309 1.591 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)C2CC2)n1 ZINC000823400135 587219350 /nfs/dbraw/zinc/21/93/50/587219350.db2.gz XGSXDZRBKMILFH-UHFFFAOYSA-N 1 2 208.309 1.591 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)CCCOC)n1 ZINC000823423389 587221075 /nfs/dbraw/zinc/22/10/75/587221075.db2.gz HMDXEXTZOFGMLR-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)CCCOC)n1 ZINC000823423389 587221076 /nfs/dbraw/zinc/22/10/76/587221076.db2.gz HMDXEXTZOFGMLR-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C12CC(C1)C2 ZINC000860270979 589092510 /nfs/dbraw/zinc/09/25/10/589092510.db2.gz IGKUQZKVSCBFIR-XSRFYTQQSA-N 1 2 239.315 1.050 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)CCCSC)n1 ZINC000824333725 587266364 /nfs/dbraw/zinc/26/63/64/587266364.db2.gz ZNXNKVHFFAJZJZ-UHFFFAOYSA-N 1 2 242.392 1.791 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)CCCSC)n1 ZINC000824333725 587266366 /nfs/dbraw/zinc/26/63/66/587266366.db2.gz ZNXNKVHFFAJZJZ-UHFFFAOYSA-N 1 2 242.392 1.791 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C=CCC2)[nH+]1 ZINC000824438181 587270650 /nfs/dbraw/zinc/27/06/50/587270650.db2.gz KKLNMINSDAQHNE-SNVBAGLBSA-N 1 2 219.288 1.349 20 0 BDADLO Cc1ccc2c(c1)N(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000824682309 587282539 /nfs/dbraw/zinc/28/25/39/587282539.db2.gz DDZYBNOEJSSWNP-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000824828802 587289174 /nfs/dbraw/zinc/28/91/74/587289174.db2.gz FUYOQPQOFZQFKN-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO CC(C)C[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000824998679 587297690 /nfs/dbraw/zinc/29/76/90/587297690.db2.gz AASXYAGHNCFZNY-CYBMUJFWSA-N 1 2 234.299 1.979 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000826817187 587363215 /nfs/dbraw/zinc/36/32/15/587363215.db2.gz RUOAYMYXXKOYSV-GMTAPVOTSA-N 1 2 248.330 1.408 20 0 BDADLO COCC[N@H+](CCF)Cc1cnn(C(C)C)c1 ZINC000827054605 587369106 /nfs/dbraw/zinc/36/91/06/587369106.db2.gz URLHMWXIZMUVOH-UHFFFAOYSA-N 1 2 243.326 1.882 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnn(C(C)C)c1 ZINC000827054605 587369107 /nfs/dbraw/zinc/36/91/07/587369107.db2.gz URLHMWXIZMUVOH-UHFFFAOYSA-N 1 2 243.326 1.882 20 0 BDADLO CC(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)=C1CCC1 ZINC000827434312 587381087 /nfs/dbraw/zinc/38/10/87/587381087.db2.gz DJISLYHSVVSNDS-LLVKDONJSA-N 1 2 245.326 1.884 20 0 BDADLO CC(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)=C1CCC1 ZINC000827434312 587381088 /nfs/dbraw/zinc/38/10/88/587381088.db2.gz DJISLYHSVVSNDS-LLVKDONJSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)CC[S@](C)=O ZINC000827777112 587401703 /nfs/dbraw/zinc/40/17/03/587401703.db2.gz NDZBXEUDSRKKRH-HNNXBMFYSA-N 1 2 230.333 1.102 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)CC[S@](C)=O ZINC000827777112 587401704 /nfs/dbraw/zinc/40/17/04/587401704.db2.gz NDZBXEUDSRKKRH-HNNXBMFYSA-N 1 2 230.333 1.102 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000827867631 587405257 /nfs/dbraw/zinc/40/52/57/587405257.db2.gz KNXXTGWMJUQYRQ-UHFFFAOYSA-N 1 2 241.360 1.444 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cnc(C(C)C)s1 ZINC000827867631 587405258 /nfs/dbraw/zinc/40/52/58/587405258.db2.gz KNXXTGWMJUQYRQ-UHFFFAOYSA-N 1 2 241.360 1.444 20 0 BDADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000827884865 587407854 /nfs/dbraw/zinc/40/78/54/587407854.db2.gz KEZOHDPAVNRWTI-SECBINFHSA-N 1 2 223.320 1.751 20 0 BDADLO CCOC(=O)[C@@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000827936601 587411083 /nfs/dbraw/zinc/41/10/83/587411083.db2.gz POJISESMRTUNMZ-LBPRGKRZSA-N 1 2 239.315 1.361 20 0 BDADLO CCOC(=O)[C@@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000827936601 587411084 /nfs/dbraw/zinc/41/10/84/587411084.db2.gz POJISESMRTUNMZ-LBPRGKRZSA-N 1 2 239.315 1.361 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000828329635 587435513 /nfs/dbraw/zinc/43/55/13/587435513.db2.gz RZTBOEJCNGCPNG-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000828329635 587435515 /nfs/dbraw/zinc/43/55/15/587435515.db2.gz RZTBOEJCNGCPNG-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO CCOc1cc(N[C@@H]2CCn3cc[nH+]c32)ncn1 ZINC000828357243 587437925 /nfs/dbraw/zinc/43/79/25/587437925.db2.gz BOVOGFYQYCQSMQ-SECBINFHSA-N 1 2 245.286 1.629 20 0 BDADLO CSc1cnc(N[C@@H]2CCn3cc[nH+]c32)nc1 ZINC000828357505 587438218 /nfs/dbraw/zinc/43/82/18/587438218.db2.gz JGPZALRYFDEERE-SECBINFHSA-N 1 2 247.327 1.952 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)C1 ZINC000828453988 587443205 /nfs/dbraw/zinc/44/32/05/587443205.db2.gz MTTPKBABIRACQH-URLYPYJESA-N 1 2 235.331 1.893 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000828534054 587448846 /nfs/dbraw/zinc/44/88/46/587448846.db2.gz XVRVJFWQPHGDAR-APPZFPTMSA-N 1 2 238.312 1.524 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000828534054 587448847 /nfs/dbraw/zinc/44/88/47/587448847.db2.gz XVRVJFWQPHGDAR-APPZFPTMSA-N 1 2 238.312 1.524 20 0 BDADLO COC(C)(C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828752476 587460193 /nfs/dbraw/zinc/46/01/93/587460193.db2.gz VYNPRIFMBDFGJI-SECBINFHSA-N 1 2 239.319 1.272 20 0 BDADLO CC(=O)[C@H](OC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC000829065293 587481660 /nfs/dbraw/zinc/48/16/60/587481660.db2.gz WTNAZFVKVBIWEJ-NWDGAFQWSA-N 1 2 243.347 1.729 20 0 BDADLO CSCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829125038 587483884 /nfs/dbraw/zinc/48/38/84/587483884.db2.gz LDEFRKRWNQGGAY-UHFFFAOYSA-N 1 2 243.763 1.851 20 0 BDADLO CSCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829125038 587483886 /nfs/dbraw/zinc/48/38/86/587483886.db2.gz LDEFRKRWNQGGAY-UHFFFAOYSA-N 1 2 243.763 1.851 20 0 BDADLO COCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829136879 587484356 /nfs/dbraw/zinc/48/43/56/587484356.db2.gz PFKNCPKILCJWRN-UHFFFAOYSA-N 1 2 241.722 1.525 20 0 BDADLO COCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829136879 587484358 /nfs/dbraw/zinc/48/43/58/587484358.db2.gz PFKNCPKILCJWRN-UHFFFAOYSA-N 1 2 241.722 1.525 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2C=CCC2)c1 ZINC000829150856 587485651 /nfs/dbraw/zinc/48/56/51/587485651.db2.gz PWKBSNBUGXCZKD-XUIVZRPNSA-N 1 2 231.299 1.516 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnn(CC2CC2)c1 ZINC000829246932 587489861 /nfs/dbraw/zinc/48/98/61/587489861.db2.gz ZSJZKLRAOWLUKX-UHFFFAOYSA-N 1 2 245.286 1.197 20 0 BDADLO CSC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829372051 587494868 /nfs/dbraw/zinc/49/48/68/587494868.db2.gz YTHCAOAPFGJBDQ-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO CCC/C=C/C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829391892 587495213 /nfs/dbraw/zinc/49/52/13/587495213.db2.gz YRHGNQOYPNPKNZ-AATRIKPKSA-N 1 2 248.330 1.623 20 0 BDADLO CCC/C=C/C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829391892 587495214 /nfs/dbraw/zinc/49/52/14/587495214.db2.gz YRHGNQOYPNPKNZ-AATRIKPKSA-N 1 2 248.330 1.623 20 0 BDADLO CC[C@@H](C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829457450 587498661 /nfs/dbraw/zinc/49/86/61/587498661.db2.gz SLZLJJCOCVIODN-SECBINFHSA-N 1 2 236.319 1.313 20 0 BDADLO CC[C@@H](C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829457450 587498662 /nfs/dbraw/zinc/49/86/62/587498662.db2.gz SLZLJJCOCVIODN-SECBINFHSA-N 1 2 236.319 1.313 20 0 BDADLO CN(CCCF)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829792212 587516723 /nfs/dbraw/zinc/51/67/23/587516723.db2.gz SZWSNOBUJVACDP-SNAWJCMRSA-N 1 2 225.267 1.251 20 0 BDADLO Nc1cc(COC(=O)C2(C(F)F)CC2)cc[nH+]1 ZINC000830034549 587533023 /nfs/dbraw/zinc/53/30/23/587533023.db2.gz UDEURBFMIYYJKS-UHFFFAOYSA-N 1 2 242.225 1.752 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(C(C)C)o1 ZINC000830085596 587535079 /nfs/dbraw/zinc/53/50/79/587535079.db2.gz KHXHCCXPOPTTFR-MWLCHTKSSA-N 1 2 240.303 1.301 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC(F)(F)C1 ZINC000830362334 587547950 /nfs/dbraw/zinc/54/79/50/587547950.db2.gz KRLQEHBKCYPFOJ-ZETCQYMHSA-N 1 2 229.230 1.256 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000830658300 587562802 /nfs/dbraw/zinc/56/28/02/587562802.db2.gz MPUWQAZXTUCOOZ-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000830808020 587571573 /nfs/dbraw/zinc/57/15/73/587571573.db2.gz AMZHIJZUJKSWJA-AXFHLTTASA-N 1 2 228.336 1.468 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCCC1CC=CC1 ZINC000831422305 587605281 /nfs/dbraw/zinc/60/52/81/587605281.db2.gz BXZMGYFUEQAWHF-UHFFFAOYSA-N 1 2 245.326 1.966 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1scnc1C1CC1 ZINC000831437266 587607024 /nfs/dbraw/zinc/60/70/24/587607024.db2.gz CZXRXZCTGCUWKW-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO CCON(CC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000831455217 587609119 /nfs/dbraw/zinc/60/91/19/587609119.db2.gz VWKJQAHSHCDYNE-VIFPVBQESA-N 1 2 225.292 1.388 20 0 BDADLO CCON(CC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000831455217 587609120 /nfs/dbraw/zinc/60/91/20/587609120.db2.gz VWKJQAHSHCDYNE-VIFPVBQESA-N 1 2 225.292 1.388 20 0 BDADLO CCON(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000831455215 587609207 /nfs/dbraw/zinc/60/92/07/587609207.db2.gz VWKJQAHSHCDYNE-SECBINFHSA-N 1 2 225.292 1.388 20 0 BDADLO CCON(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000831455215 587609208 /nfs/dbraw/zinc/60/92/08/587609208.db2.gz VWKJQAHSHCDYNE-SECBINFHSA-N 1 2 225.292 1.388 20 0 BDADLO Cc1ccccc1OCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000831758879 587630392 /nfs/dbraw/zinc/63/03/92/587630392.db2.gz FBYQXPFKJZXXHN-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccccc1OCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000831758879 587630394 /nfs/dbraw/zinc/63/03/94/587630394.db2.gz FBYQXPFKJZXXHN-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccc(OCC[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000831760373 587630909 /nfs/dbraw/zinc/63/09/09/587630909.db2.gz YPYRYKXUZGNVLG-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccc(OCC[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000831760373 587630910 /nfs/dbraw/zinc/63/09/10/587630910.db2.gz YPYRYKXUZGNVLG-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@H]2CCCC[C@H]12 ZINC000831966280 587639705 /nfs/dbraw/zinc/63/97/05/587639705.db2.gz MHHOSTBNQDWSQG-UTUOFQBUSA-N 1 2 247.342 1.989 20 0 BDADLO CC1(C)CC[N@H+](C/C=C/Cl)CC[S@@]1=O ZINC000832016170 587642856 /nfs/dbraw/zinc/64/28/56/587642856.db2.gz KWTZFCYWJDEGFE-KQIUPUNMSA-N 1 2 235.780 1.972 20 0 BDADLO CC1(C)CC[N@@H+](C/C=C/Cl)CC[S@@]1=O ZINC000832016170 587642857 /nfs/dbraw/zinc/64/28/57/587642857.db2.gz KWTZFCYWJDEGFE-KQIUPUNMSA-N 1 2 235.780 1.972 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)OC1CCC1 ZINC000832027028 587643171 /nfs/dbraw/zinc/64/31/71/587643171.db2.gz YYIDTCAZVZKCNA-UHFFFAOYSA-N 1 2 223.276 1.682 20 0 BDADLO CC1(C)CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000832557153 587666451 /nfs/dbraw/zinc/66/64/51/587666451.db2.gz AJTYYNHLPRXNIY-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000832653776 587673646 /nfs/dbraw/zinc/67/36/46/587673646.db2.gz CIXSSRTWNOFARL-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000832653776 587673647 /nfs/dbraw/zinc/67/36/47/587673647.db2.gz CIXSSRTWNOFARL-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO COCC(C)(C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000832767991 587687793 /nfs/dbraw/zinc/68/77/93/587687793.db2.gz WBIUJPDLDCNKJI-UHFFFAOYSA-N 1 2 239.319 1.511 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2nccn2C)c[nH+]1 ZINC000836242203 587829422 /nfs/dbraw/zinc/82/94/22/587829422.db2.gz KQNAXPVYAXKEFY-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO O=C(NCCCC1CC1)N[C@H]1CCn2cc[nH+]c21 ZINC000836313979 587830555 /nfs/dbraw/zinc/83/05/55/587830555.db2.gz HIWXTEAXHXVFEE-NSHDSACASA-N 1 2 248.330 1.817 20 0 BDADLO CC(C)=CCCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836421812 587832912 /nfs/dbraw/zinc/83/29/12/587832912.db2.gz ZNGLHNRRZGGSDZ-LLVKDONJSA-N 1 2 248.330 1.983 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836457615 587833566 /nfs/dbraw/zinc/83/35/66/587833566.db2.gz XHACKQNUWVJDNQ-NXEZZACHSA-N 1 2 248.330 1.816 20 0 BDADLO CC/C=C\CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836522705 587834443 /nfs/dbraw/zinc/83/44/43/587834443.db2.gz JXJBYBAQQZXQNO-XOULXFPDSA-N 1 2 234.303 1.593 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@H]1C ZINC000836515951 587834562 /nfs/dbraw/zinc/83/45/62/587834562.db2.gz GMYZQMPUMILUIW-OUAUKWLOSA-N 1 2 248.330 1.768 20 0 BDADLO Cc1cc(C)c(CNC(=O)NOC2CCC2)c[nH+]1 ZINC000836574639 587835179 /nfs/dbraw/zinc/83/51/79/587835179.db2.gz XHDAFUAKIDXRDO-UHFFFAOYSA-N 1 2 249.314 1.982 20 0 BDADLO Cc1cc[nH]c1C(=O)OCCc1c[nH+]cn1C ZINC000837702469 587891864 /nfs/dbraw/zinc/89/18/64/587891864.db2.gz VSIIKZJZENKZHC-UHFFFAOYSA-N 1 2 233.271 1.456 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CSC[C@H]1C ZINC000840959103 587932494 /nfs/dbraw/zinc/93/24/94/587932494.db2.gz SZERZMQVCYAVHH-MIMYLULJSA-N 1 2 243.372 1.669 20 0 BDADLO Cc1cncc(CO[NH+]=C(N)COC(C)C)c1 ZINC000842024964 587989940 /nfs/dbraw/zinc/98/99/40/587989940.db2.gz LOCUXTNAKHWDKF-UHFFFAOYSA-N 1 2 237.303 1.813 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@H](C)CC(C)C ZINC000842035868 587992207 /nfs/dbraw/zinc/99/22/07/587992207.db2.gz FPPLJPBFSKCNLF-RKDXNWHRSA-N 1 2 202.298 1.954 20 0 BDADLO CC[C@H](CO[NH+]=C(N)[C@H]1CCCO1)OC ZINC000842047448 587992994 /nfs/dbraw/zinc/99/29/94/587992994.db2.gz NWVWEKWYLBBXEQ-RKDXNWHRSA-N 1 2 216.281 1.089 20 0 BDADLO C[C@@]1([NH2+]CCOCC2CCC2)CCOC1=O ZINC000842155680 588004240 /nfs/dbraw/zinc/00/42/40/588004240.db2.gz BIRATSFIRZDYPM-GFCCVEGCSA-N 1 2 227.304 1.098 20 0 BDADLO COc1ccccc1[C@@H]([NH3+])c1nc(N(C)C)no1 ZINC000842571762 588043388 /nfs/dbraw/zinc/04/33/88/588043388.db2.gz PKPCBEMJBGARIP-SNVBAGLBSA-N 1 2 248.286 1.192 20 0 BDADLO NC(=[NH+]OCC1=CCCC1)[C@H]1CCCO1 ZINC000842650042 588048874 /nfs/dbraw/zinc/04/88/74/588048874.db2.gz IVVQLUMKSXBOJL-SNVBAGLBSA-N 1 2 210.277 1.774 20 0 BDADLO NC(COC[C@H]1CCCO1)=[NH+]OCCC1CC1 ZINC000842657771 588050190 /nfs/dbraw/zinc/05/01/90/588050190.db2.gz URCPTCKQHHRDFM-LLVKDONJSA-N 1 2 242.319 1.481 20 0 BDADLO NC(COC[C@@H]1CCOC1)=[NH+]OCCCCF ZINC000842660790 588050687 /nfs/dbraw/zinc/05/06/87/588050687.db2.gz KLPVJOXVWFCLBJ-SNVBAGLBSA-N 1 2 248.298 1.288 20 0 BDADLO NC(COC[C@H]1CCOC1)=[NH+]OCCC1CC1 ZINC000842660626 588050839 /nfs/dbraw/zinc/05/08/39/588050839.db2.gz JDKBTPSUTLKALD-NSHDSACASA-N 1 2 242.319 1.338 20 0 BDADLO CC[NH2+]Cc1noc(C(C)(C)c2cccnc2)n1 ZINC000843141858 588085830 /nfs/dbraw/zinc/08/58/30/588085830.db2.gz VGJJBEDVHQJDLT-UHFFFAOYSA-N 1 2 246.314 1.900 20 0 BDADLO CC[NH2+]Cc1noc(-c2cc(CC)[nH]c(=O)c2)n1 ZINC000843141370 588085838 /nfs/dbraw/zinc/08/58/38/588085838.db2.gz MGXPOVDRJOABKJ-UHFFFAOYSA-N 1 2 248.286 1.509 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CC[C@@H](CC)O2)n1 ZINC000843144490 588086092 /nfs/dbraw/zinc/08/60/92/588086092.db2.gz DOXFJEMKAXXJDD-RKDXNWHRSA-N 1 2 225.292 1.809 20 0 BDADLO CC[NH2+]Cc1noc(/C=C\c2ccco2)n1 ZINC000843145890 588086866 /nfs/dbraw/zinc/08/68/66/588086866.db2.gz SYTGUKLMFMQNNZ-WAYWQWQTSA-N 1 2 219.244 1.943 20 0 BDADLO O=C(Nc1n[nH]c2ccccc21)[C@H]1CSC[NH2+]1 ZINC000843359707 588103617 /nfs/dbraw/zinc/10/36/17/588103617.db2.gz WECILMMMXQGZRE-SECBINFHSA-N 1 2 248.311 1.164 20 0 BDADLO O=C(N1CCC[C@@H]1c1[nH]cc[nH+]1)C1(F)CC1 ZINC000843846934 588144583 /nfs/dbraw/zinc/14/45/83/588144583.db2.gz YNMGMWGYMGSCFX-MRVPVSSYSA-N 1 2 223.251 1.575 20 0 BDADLO CCC/C(C)=C/C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883452 588147202 /nfs/dbraw/zinc/14/72/02/588147202.db2.gz HYAINDPLEBKKRZ-RMKNXTFCSA-N 1 2 248.330 1.730 20 0 BDADLO CC(C(=O)NCc1c[nH+]c(C)nc1N)=C1CCC1 ZINC000843885107 588147828 /nfs/dbraw/zinc/14/78/28/588147828.db2.gz WRYXEZKPNXBKMP-UHFFFAOYSA-N 1 2 246.314 1.484 20 0 BDADLO O=C(NOC1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844136552 588169579 /nfs/dbraw/zinc/16/95/79/588169579.db2.gz FSOZFRSIKOFESU-JTQLQIEISA-N 1 2 249.314 1.436 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)c1ccsc1 ZINC000844258030 588178012 /nfs/dbraw/zinc/17/80/12/588178012.db2.gz WOJUYSSUKSSRAS-UHFFFAOYSA-N 1 2 241.312 1.237 20 0 BDADLO O=C1O[C@@H](C[N@H+]2CCC=C(F)C2)CN1C1CC1 ZINC000844316368 588183734 /nfs/dbraw/zinc/18/37/34/588183734.db2.gz MPVOVSMMKOVCQZ-NSHDSACASA-N 1 2 240.278 1.529 20 0 BDADLO O=C1O[C@@H](C[N@@H+]2CCC=C(F)C2)CN1C1CC1 ZINC000844316368 588183736 /nfs/dbraw/zinc/18/37/36/588183736.db2.gz MPVOVSMMKOVCQZ-NSHDSACASA-N 1 2 240.278 1.529 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000844318227 588184323 /nfs/dbraw/zinc/18/43/23/588184323.db2.gz UOXRRYUJBSKMKZ-KXUCPTDWSA-N 1 2 236.340 1.808 20 0 BDADLO CC[N@H+](CC(=O)OCC(C)C)[C@H]1CCCOC1 ZINC000844404243 588190006 /nfs/dbraw/zinc/19/00/06/588190006.db2.gz LVWNKHRNUSFUCS-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@@H+](CC(=O)OCC(C)C)[C@H]1CCCOC1 ZINC000844404243 588190007 /nfs/dbraw/zinc/19/00/07/588190007.db2.gz LVWNKHRNUSFUCS-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1nn(C)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844404623 588190448 /nfs/dbraw/zinc/19/04/48/588190448.db2.gz RZKQGVVMMVGUFP-VIFPVBQESA-N 1 2 247.302 1.515 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)no1 ZINC000844436393 588191990 /nfs/dbraw/zinc/19/19/90/588191990.db2.gz HBFFRISMHAXAOM-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)no1 ZINC000844436393 588191991 /nfs/dbraw/zinc/19/19/91/588191991.db2.gz HBFFRISMHAXAOM-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000844434535 588193207 /nfs/dbraw/zinc/19/32/07/588193207.db2.gz LDWZCDAEXPNBOB-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000844434535 588193209 /nfs/dbraw/zinc/19/32/09/588193209.db2.gz LDWZCDAEXPNBOB-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452236 588195606 /nfs/dbraw/zinc/19/56/06/588195606.db2.gz VYZLDFVLMIQMTG-LPEHRKFASA-N 1 2 246.301 1.344 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452236 588195608 /nfs/dbraw/zinc/19/56/08/588195608.db2.gz VYZLDFVLMIQMTG-LPEHRKFASA-N 1 2 246.301 1.344 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844463651 588197383 /nfs/dbraw/zinc/19/73/83/588197383.db2.gz SLDGPCVAHUYDSI-DTORHVGOSA-N 1 2 242.273 1.303 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844463651 588197384 /nfs/dbraw/zinc/19/73/84/588197384.db2.gz SLDGPCVAHUYDSI-DTORHVGOSA-N 1 2 242.273 1.303 20 0 BDADLO Cc1ncoc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844542979 588201536 /nfs/dbraw/zinc/20/15/36/588201536.db2.gz GVINYPITAUDXCZ-SECBINFHSA-N 1 2 249.270 1.874 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(C2CCC2)CC1 ZINC000845199203 588223530 /nfs/dbraw/zinc/22/35/30/588223530.db2.gz AEHZLTASEFJYGK-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO COC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283212 588225354 /nfs/dbraw/zinc/22/53/54/588225354.db2.gz AFMASXJCHIUOAT-UWVGGRQHSA-N 1 2 226.276 1.412 20 0 BDADLO CSCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282947 588225384 /nfs/dbraw/zinc/22/53/84/588225384.db2.gz RUNASDXSMMRPJP-SECBINFHSA-N 1 2 228.317 1.740 20 0 BDADLO COC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283214 588225491 /nfs/dbraw/zinc/22/54/91/588225491.db2.gz AFMASXJCHIUOAT-ZJUUUORDSA-N 1 2 226.276 1.412 20 0 BDADLO COC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283213 588225514 /nfs/dbraw/zinc/22/55/14/588225514.db2.gz AFMASXJCHIUOAT-VHSXEESVSA-N 1 2 226.276 1.412 20 0 BDADLO C/C=C/C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000106010478 588242665 /nfs/dbraw/zinc/24/26/65/588242665.db2.gz PRIHJLGAPJJKEB-DUXPYHPUSA-N 1 2 245.326 1.302 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccn2)[C@@H](C)CO1 ZINC000846043824 588254693 /nfs/dbraw/zinc/25/46/93/588254693.db2.gz DBXCGTARADNDCA-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccn2)[C@@H](C)CO1 ZINC000846043824 588254694 /nfs/dbraw/zinc/25/46/94/588254694.db2.gz DBXCGTARADNDCA-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CSc1ccc[nH+]c1NCc1cnn(C)n1 ZINC000846061897 588255064 /nfs/dbraw/zinc/25/50/64/588255064.db2.gz WRHSSGLYMPBWLI-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000846093393 588255760 /nfs/dbraw/zinc/25/57/60/588255760.db2.gz PHRAPSCXPLPVRF-SECBINFHSA-N 1 2 214.309 1.222 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000846084955 588256001 /nfs/dbraw/zinc/25/60/01/588256001.db2.gz GGLMLSUOEMYZRN-IUCAKERBSA-N 1 2 214.309 1.078 20 0 BDADLO CCONC(=O)C[NH2+]CC1CCCCCC1 ZINC000846089346 588256405 /nfs/dbraw/zinc/25/64/05/588256405.db2.gz RSBNDXWVOSIPMQ-UHFFFAOYSA-N 1 2 228.336 1.614 20 0 BDADLO C[C@@H](CC(=O)NOC1CCC1)n1cc[nH+]c1 ZINC000846236696 588262309 /nfs/dbraw/zinc/26/23/09/588262309.db2.gz BFSMMXHRKNSZDF-VIFPVBQESA-N 1 2 223.276 1.435 20 0 BDADLO CCCCc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1 ZINC000846702884 588283667 /nfs/dbraw/zinc/28/36/67/588283667.db2.gz QMISSOMTDKSTGM-GFCCVEGCSA-N 1 2 246.310 1.620 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846805339 588288263 /nfs/dbraw/zinc/28/82/63/588288263.db2.gz BOYGZCLUHUBWFS-QWRGUYRKSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846805339 588288264 /nfs/dbraw/zinc/28/82/64/588288264.db2.gz BOYGZCLUHUBWFS-QWRGUYRKSA-N 1 2 241.360 1.664 20 0 BDADLO C[N@H+](Cc1cnsn1)[C@H]1CCSC1 ZINC000846836027 588291680 /nfs/dbraw/zinc/29/16/80/588291680.db2.gz NIRBXERYKLKZCY-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO C[N@@H+](Cc1cnsn1)[C@H]1CCSC1 ZINC000846836027 588291681 /nfs/dbraw/zinc/29/16/81/588291681.db2.gz NIRBXERYKLKZCY-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+]1Cc1cnsn1 ZINC000846871800 588294586 /nfs/dbraw/zinc/29/45/86/588294586.db2.gz UWWBTFJLTCQXCO-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+]1Cc1cnsn1 ZINC000846871800 588294587 /nfs/dbraw/zinc/29/45/87/588294587.db2.gz UWWBTFJLTCQXCO-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CC(=O)C1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000846945104 588298023 /nfs/dbraw/zinc/29/80/23/588298023.db2.gz XKVLEBWOVQBQSH-VIFPVBQESA-N 1 2 248.330 1.421 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnsn2)C[C@H]1C ZINC000846957863 588298499 /nfs/dbraw/zinc/29/84/99/588298499.db2.gz MUPIOBKWRFTZQZ-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnsn2)C[C@H]1C ZINC000846957863 588298500 /nfs/dbraw/zinc/29/85/00/588298500.db2.gz MUPIOBKWRFTZQZ-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnsn2)C[C@@H]1C ZINC000846957870 588298619 /nfs/dbraw/zinc/29/86/19/588298619.db2.gz MUPIOBKWRFTZQZ-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnsn2)C[C@@H]1C ZINC000846957870 588298620 /nfs/dbraw/zinc/29/86/20/588298620.db2.gz MUPIOBKWRFTZQZ-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC(F)(F)C1 ZINC000847008062 588301312 /nfs/dbraw/zinc/30/13/12/588301312.db2.gz KMWYSMDLVDISCF-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO COc1ccccc1OC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000847302202 588310568 /nfs/dbraw/zinc/31/05/68/588310568.db2.gz KJODOADQXFHXTH-LLVKDONJSA-N 1 2 249.310 1.942 20 0 BDADLO COc1ccccc1OC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000847302202 588310569 /nfs/dbraw/zinc/31/05/69/588310569.db2.gz KJODOADQXFHXTH-LLVKDONJSA-N 1 2 249.310 1.942 20 0 BDADLO C[N@H+](Cn1ccc(C(F)(F)F)n1)[C@@H]1CCOC1 ZINC000106858122 588313431 /nfs/dbraw/zinc/31/34/31/588313431.db2.gz ZQXBPSLHDRUQRA-MRVPVSSYSA-N 1 2 249.236 1.580 20 0 BDADLO C[N@@H+](Cn1ccc(C(F)(F)F)n1)[C@@H]1CCOC1 ZINC000106858122 588313432 /nfs/dbraw/zinc/31/34/32/588313432.db2.gz ZQXBPSLHDRUQRA-MRVPVSSYSA-N 1 2 249.236 1.580 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NOC(C)C)ccn12 ZINC000848162520 588362462 /nfs/dbraw/zinc/36/24/62/588362462.db2.gz OPRVZMRNAVSQGV-UHFFFAOYSA-N 1 2 233.271 1.713 20 0 BDADLO CC(C)ONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848162974 588362678 /nfs/dbraw/zinc/36/26/78/588362678.db2.gz UWAOCCSVVQOORR-QMMMGPOBSA-N 1 2 211.265 1.045 20 0 BDADLO CC(C)ONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848162974 588362679 /nfs/dbraw/zinc/36/26/79/588362679.db2.gz UWAOCCSVVQOORR-QMMMGPOBSA-N 1 2 211.265 1.045 20 0 BDADLO C[NH2+][C@@H](C)C(=O)N=c1sc2ccccc2n1C ZINC000848459065 588386210 /nfs/dbraw/zinc/38/62/10/588386210.db2.gz VMDMAZBCCFRJGD-QMMMGPOBSA-N 1 2 249.339 1.275 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ncc(C)o1 ZINC000848669799 588404474 /nfs/dbraw/zinc/40/44/74/588404474.db2.gz JIYCWXVYGQFHHR-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO CCc1nc(CNc2nc[nH+]c(N)c2OC)co1 ZINC000848718124 588408456 /nfs/dbraw/zinc/40/84/56/588408456.db2.gz IMXZVFWKRPFCMP-UHFFFAOYSA-N 1 2 249.274 1.230 20 0 BDADLO CCc1nc(CNc2[nH+]cnc(N)c2OC)co1 ZINC000848718124 588408458 /nfs/dbraw/zinc/40/84/58/588408458.db2.gz IMXZVFWKRPFCMP-UHFFFAOYSA-N 1 2 249.274 1.230 20 0 BDADLO Cc1nc(COC(=O)C[C@@H](C)n2cc[nH+]c2)co1 ZINC000848768502 588413065 /nfs/dbraw/zinc/41/30/65/588413065.db2.gz AMDCHHKZBPSIKA-SECBINFHSA-N 1 2 249.270 1.874 20 0 BDADLO CC(C)c1nc(N(C[C@@H](C)O)C2CC2)cc[nH+]1 ZINC000848791694 588413726 /nfs/dbraw/zinc/41/37/26/588413726.db2.gz QHBRYMWOPPWJIM-SNVBAGLBSA-N 1 2 235.331 1.950 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOC(F)F)n1 ZINC000849323075 588472344 /nfs/dbraw/zinc/47/23/44/588472344.db2.gz MYKCGIPQMWYDCU-YFKPBYRVSA-N 1 2 221.207 1.268 20 0 BDADLO CC(=O)[C@@H](C)CCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000849731364 588490943 /nfs/dbraw/zinc/49/09/43/588490943.db2.gz BWETUGHQPAJRDA-CMPLNLGQSA-N 1 2 241.331 1.629 20 0 BDADLO CC(=O)[C@@H](C)CCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000849731364 588490944 /nfs/dbraw/zinc/49/09/44/588490944.db2.gz BWETUGHQPAJRDA-CMPLNLGQSA-N 1 2 241.331 1.629 20 0 BDADLO CC(=O)[C@H](C)CCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000849731367 588491160 /nfs/dbraw/zinc/49/11/60/588491160.db2.gz BWETUGHQPAJRDA-ZYHUDNBSSA-N 1 2 241.331 1.629 20 0 BDADLO CC(=O)[C@H](C)CCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000849731367 588491161 /nfs/dbraw/zinc/49/11/61/588491161.db2.gz BWETUGHQPAJRDA-ZYHUDNBSSA-N 1 2 241.331 1.629 20 0 BDADLO CNC(=S)NCCn1c(C)[nH+]c2ccccc21 ZINC000007138063 588505386 /nfs/dbraw/zinc/50/53/86/588505386.db2.gz IQXDUHPEBQKLKL-UHFFFAOYSA-N 1 2 248.355 1.439 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CCCF ZINC000850194631 588525248 /nfs/dbraw/zinc/52/52/48/588525248.db2.gz NXJWCNKJOMGIBH-UHFFFAOYSA-N 1 2 214.240 1.256 20 0 BDADLO CCc1cc(NCc2[nH]cc(C)[nH+]2)n(C)n1 ZINC000850184584 588525395 /nfs/dbraw/zinc/52/53/95/588525395.db2.gz YVHKUCNGNHOQIK-UHFFFAOYSA-N 1 2 219.292 1.626 20 0 BDADLO COc1cncc(C[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000850271598 588534369 /nfs/dbraw/zinc/53/43/69/588534369.db2.gz BUHODONBLAMHSD-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)c2ccccc21 ZINC000850372363 588541507 /nfs/dbraw/zinc/54/15/07/588541507.db2.gz TYKACBSNWPCUTK-QWHCGFSZSA-N 1 2 229.283 1.678 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)n1 ZINC000850375247 588542159 /nfs/dbraw/zinc/54/21/59/588542159.db2.gz QEMQLQKWBSONMI-CHWSQXEVSA-N 1 2 244.298 1.083 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CC[C@@H]2C(C)C)[nH]1 ZINC000850514890 588556064 /nfs/dbraw/zinc/55/60/64/588556064.db2.gz RLDDLYBZTOJGKU-ZJUUUORDSA-N 1 2 238.335 1.475 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)OCc1c[nH+]cn1C ZINC000850868279 588571670 /nfs/dbraw/zinc/57/16/70/588571670.db2.gz BULTWWHRKRAIIZ-JTQLQIEISA-N 1 2 248.282 1.935 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000850869488 588572306 /nfs/dbraw/zinc/57/23/06/588572306.db2.gz WIYKKNHUABKXGC-MWLCHTKSSA-N 1 2 238.287 1.278 20 0 BDADLO OCC[N@H+](Cc1cnon1)Cc1ccccc1 ZINC000851751791 588623474 /nfs/dbraw/zinc/62/34/74/588623474.db2.gz WIFHKPDNKDHGEB-UHFFFAOYSA-N 1 2 233.271 1.064 20 0 BDADLO OCC[N@@H+](Cc1cnon1)Cc1ccccc1 ZINC000851751791 588623475 /nfs/dbraw/zinc/62/34/75/588623475.db2.gz WIFHKPDNKDHGEB-UHFFFAOYSA-N 1 2 233.271 1.064 20 0 BDADLO C[N@H+](CCOC(F)F)Cc1cc[nH]n1 ZINC000851769780 588625446 /nfs/dbraw/zinc/62/54/46/588625446.db2.gz VPFDZCPTKCPEQN-UHFFFAOYSA-N 1 2 205.208 1.081 20 0 BDADLO C[N@@H+](CCOC(F)F)Cc1cc[nH]n1 ZINC000851769780 588625447 /nfs/dbraw/zinc/62/54/47/588625447.db2.gz VPFDZCPTKCPEQN-UHFFFAOYSA-N 1 2 205.208 1.081 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCOC(F)F ZINC000851773923 588625896 /nfs/dbraw/zinc/62/58/96/588625896.db2.gz DIDUXHFJDULAJS-QMMMGPOBSA-N 1 2 209.236 1.336 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCOC(F)F ZINC000851773923 588625897 /nfs/dbraw/zinc/62/58/97/588625897.db2.gz DIDUXHFJDULAJS-QMMMGPOBSA-N 1 2 209.236 1.336 20 0 BDADLO CC1(C)C[N@H+](Cc2cnon2)C(C)(C)CO1 ZINC000851773226 588626217 /nfs/dbraw/zinc/62/62/17/588626217.db2.gz RMXITJLXVYSPBD-UHFFFAOYSA-N 1 2 225.292 1.459 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnon2)C(C)(C)CO1 ZINC000851773226 588626218 /nfs/dbraw/zinc/62/62/18/588626218.db2.gz RMXITJLXVYSPBD-UHFFFAOYSA-N 1 2 225.292 1.459 20 0 BDADLO CC1(C)C[N@H+](Cc2cnon2)CCCO1 ZINC000851776608 588626587 /nfs/dbraw/zinc/62/65/87/588626587.db2.gz VYGBWNBAKFEQMH-UHFFFAOYSA-N 1 2 211.265 1.071 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnon2)CCCO1 ZINC000851776608 588626588 /nfs/dbraw/zinc/62/65/88/588626588.db2.gz VYGBWNBAKFEQMH-UHFFFAOYSA-N 1 2 211.265 1.071 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H](C)S1 ZINC000851786730 588629020 /nfs/dbraw/zinc/62/90/20/588629020.db2.gz CIJMZQXLWXKDON-OCAPTIKFSA-N 1 2 213.306 1.395 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnon2)C[C@H](C)S1 ZINC000851786730 588629021 /nfs/dbraw/zinc/62/90/21/588629021.db2.gz CIJMZQXLWXKDON-OCAPTIKFSA-N 1 2 213.306 1.395 20 0 BDADLO C[C@@H]1OCC[N@H+](CCOC(F)F)[C@H]1C ZINC000851813435 588632613 /nfs/dbraw/zinc/63/26/13/588632613.db2.gz TXWJJFMBLDVIPH-YUMQZZPRSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@@H]1OCC[N@@H+](CCOC(F)F)[C@H]1C ZINC000851813435 588632614 /nfs/dbraw/zinc/63/26/14/588632614.db2.gz TXWJJFMBLDVIPH-YUMQZZPRSA-N 1 2 209.236 1.335 20 0 BDADLO COC(CC[NH2+]C(C)(C)c1noc(C)n1)OC ZINC000851840475 588634469 /nfs/dbraw/zinc/63/44/69/588634469.db2.gz SLKAATOOBPGZAC-UHFFFAOYSA-N 1 2 243.307 1.212 20 0 BDADLO C[C@H]1CCN(Cc2cnon2)C[C@@H]1n1cc[nH+]c1 ZINC000851858653 588635749 /nfs/dbraw/zinc/63/57/49/588635749.db2.gz RTSCMKOBNYOTRI-JQWIXIFHSA-N 1 2 247.302 1.349 20 0 BDADLO C[C@@H]1CCN(Cc2cnon2)C[C@@H]1n1cc[nH+]c1 ZINC000851858654 588635773 /nfs/dbraw/zinc/63/57/73/588635773.db2.gz RTSCMKOBNYOTRI-PWSUYJOCSA-N 1 2 247.302 1.349 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851871291 588637193 /nfs/dbraw/zinc/63/71/93/588637193.db2.gz OLHCVLQWWJMPDU-JTQLQIEISA-N 1 2 239.319 1.003 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851871291 588637194 /nfs/dbraw/zinc/63/71/94/588637194.db2.gz OLHCVLQWWJMPDU-JTQLQIEISA-N 1 2 239.319 1.003 20 0 BDADLO Cc1oncc1CN(C)Cc1[nH]cc[nH+]1 ZINC000851873919 588637998 /nfs/dbraw/zinc/63/79/98/588637998.db2.gz UFNSITAAZAXVQJ-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CCCOC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000851874415 588638216 /nfs/dbraw/zinc/63/82/16/588638216.db2.gz FSBKOPQCVDBQKA-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cnon1 ZINC000851878905 588638921 /nfs/dbraw/zinc/63/89/21/588638921.db2.gz FTJNUURYYSDWED-LLVKDONJSA-N 1 2 247.302 1.747 20 0 BDADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cnon1 ZINC000851878905 588638922 /nfs/dbraw/zinc/63/89/22/588638922.db2.gz FTJNUURYYSDWED-LLVKDONJSA-N 1 2 247.302 1.747 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCOC(F)F ZINC000851886951 588640396 /nfs/dbraw/zinc/64/03/96/588640396.db2.gz VTPPAACIAGCJOL-MRVPVSSYSA-N 1 2 246.261 1.191 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1CCOC(F)F ZINC000851886951 588640397 /nfs/dbraw/zinc/64/03/97/588640397.db2.gz VTPPAACIAGCJOL-MRVPVSSYSA-N 1 2 246.261 1.191 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2cnon2)[nH]1 ZINC000851887485 588640601 /nfs/dbraw/zinc/64/06/01/588640601.db2.gz QNMXMLYDAMVAAA-VIFPVBQESA-N 1 2 219.248 1.130 20 0 BDADLO CCn1ncc(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000851894258 588641809 /nfs/dbraw/zinc/64/18/09/588641809.db2.gz XEOFLMWDDIWYGS-CYBMUJFWSA-N 1 2 246.314 1.121 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2c(C)noc2C)n1 ZINC000851902870 588642005 /nfs/dbraw/zinc/64/20/05/588642005.db2.gz PBIKSJOCIFNJJI-MRVPVSSYSA-N 1 2 249.318 1.754 20 0 BDADLO CO[C@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000851907402 588642558 /nfs/dbraw/zinc/64/25/58/588642558.db2.gz IANHBXBYGWAMCW-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO CO[C@H]1CC[C@@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000851907402 588642559 /nfs/dbraw/zinc/64/25/59/588642559.db2.gz IANHBXBYGWAMCW-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1cnon1 ZINC000851921477 588644048 /nfs/dbraw/zinc/64/40/48/588644048.db2.gz SBSFZOLQBQVKPC-SECBINFHSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]C[C@H]2COC(C)(C)O2)n1 ZINC000851928375 588644978 /nfs/dbraw/zinc/64/49/78/588644978.db2.gz LNEWIYQXIQJWNX-APPZFPTMSA-N 1 2 241.291 1.180 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](Cc1cnon1)C2 ZINC000851979011 588650925 /nfs/dbraw/zinc/65/09/25/588650925.db2.gz SBONRTFHLVAXBR-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](Cc1cnon1)C2 ZINC000851979011 588650926 /nfs/dbraw/zinc/65/09/26/588650926.db2.gz SBONRTFHLVAXBR-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1CC=C(Cl)Cl ZINC000851980177 588650964 /nfs/dbraw/zinc/65/09/64/588650964.db2.gz QFCDTOCLTRLBEE-ZETCQYMHSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1CC=C(Cl)Cl ZINC000851980177 588650965 /nfs/dbraw/zinc/65/09/65/588650965.db2.gz QFCDTOCLTRLBEE-ZETCQYMHSA-N 1 2 247.129 1.974 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[Si](C)(C)C ZINC000852191870 588671025 /nfs/dbraw/zinc/67/10/25/588671025.db2.gz OOUNQKIUGURINR-UHFFFAOYSA-N 1 2 215.329 1.084 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[Si](C)(C)C ZINC000852191870 588671026 /nfs/dbraw/zinc/67/10/26/588671026.db2.gz OOUNQKIUGURINR-UHFFFAOYSA-N 1 2 215.329 1.084 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCOC(F)F)n1 ZINC000852218024 588673928 /nfs/dbraw/zinc/67/39/28/588673928.db2.gz QIQCVDUTMUXUJT-ZCFIWIBFSA-N 1 2 235.234 1.610 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCOC(F)F)n1 ZINC000852218024 588673929 /nfs/dbraw/zinc/67/39/29/588673929.db2.gz QIQCVDUTMUXUJT-ZCFIWIBFSA-N 1 2 235.234 1.610 20 0 BDADLO O=C1CCC2=C(CC[N@H+](Cc3nccs3)C2)N1 ZINC000852297531 588677412 /nfs/dbraw/zinc/67/74/12/588677412.db2.gz KACWHDCADBCIPR-UHFFFAOYSA-N 1 2 249.339 1.513 20 0 BDADLO O=C1CCC2=C(CC[N@@H+](Cc3nccs3)C2)N1 ZINC000852297531 588677413 /nfs/dbraw/zinc/67/74/13/588677413.db2.gz KACWHDCADBCIPR-UHFFFAOYSA-N 1 2 249.339 1.513 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@@H]2C[C@@H]2C1 ZINC000852361554 588679808 /nfs/dbraw/zinc/67/98/08/588679808.db2.gz BEFRTSMBRNRMMR-GMTAPVOTSA-N 1 2 246.314 1.379 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N[C@H]2C=CCC2)c2[nH+]ccn21 ZINC000852374892 588680447 /nfs/dbraw/zinc/68/04/47/588680447.db2.gz ZJEWOEYFVMUQKS-VWYCJHECSA-N 1 2 246.314 1.907 20 0 BDADLO COCC[N@H+](CCF)Cc1cc(C)ncn1 ZINC000852479977 588683887 /nfs/dbraw/zinc/68/38/87/588683887.db2.gz MHAASELICKCFPO-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@@H+](CCF)Cc1cc(C)ncn1 ZINC000852479977 588683888 /nfs/dbraw/zinc/68/38/88/588683888.db2.gz MHAASELICKCFPO-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@H+](CCF)Cc1oc(C)nc1C ZINC000852481094 588684405 /nfs/dbraw/zinc/68/44/05/588684405.db2.gz HLCYDONISXLHGB-UHFFFAOYSA-N 1 2 230.283 1.709 20 0 BDADLO COCC[N@@H+](CCF)Cc1oc(C)nc1C ZINC000852481094 588684406 /nfs/dbraw/zinc/68/44/06/588684406.db2.gz HLCYDONISXLHGB-UHFFFAOYSA-N 1 2 230.283 1.709 20 0 BDADLO C[C@]12COC[C@@H]1C[N@H+](Cc1cnsn1)C2 ZINC000852535487 588688692 /nfs/dbraw/zinc/68/86/92/588688692.db2.gz FCISPGXVWUIECT-WPRPVWTQSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1cnsn1)C2 ZINC000852535487 588688693 /nfs/dbraw/zinc/68/86/93/588688693.db2.gz FCISPGXVWUIECT-WPRPVWTQSA-N 1 2 225.317 1.006 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@H]2CC2(Cl)Cl)nn1 ZINC000852551905 588689819 /nfs/dbraw/zinc/68/98/19/588689819.db2.gz BAECVZXVWLDABW-SSDOTTSWSA-N 1 2 249.145 1.441 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@H]2CC2(Cl)Cl)nn1 ZINC000852551905 588689820 /nfs/dbraw/zinc/68/98/20/588689820.db2.gz BAECVZXVWLDABW-SSDOTTSWSA-N 1 2 249.145 1.441 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852580959 588692009 /nfs/dbraw/zinc/69/20/09/588692009.db2.gz GPCCYGMELCMQSV-MNOVXSKESA-N 1 2 241.331 1.079 20 0 BDADLO Cn1ncc(C[NH+]2CCC(c3ccon3)CC2)n1 ZINC000852672793 588695075 /nfs/dbraw/zinc/69/50/75/588695075.db2.gz JNYBCPCIASAWJQ-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO Cc1conc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000861200340 589149791 /nfs/dbraw/zinc/14/97/91/589149791.db2.gz SZWXTRQXPREPMY-JTQLQIEISA-N 1 2 249.270 1.874 20 0 BDADLO C[C@H](CC(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000861759128 589177106 /nfs/dbraw/zinc/17/71/06/589177106.db2.gz GQSCLNLHIKVMSM-SECBINFHSA-N 1 2 233.315 1.731 20 0 BDADLO C[C@H](CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000861759128 589177108 /nfs/dbraw/zinc/17/71/08/589177108.db2.gz GQSCLNLHIKVMSM-SECBINFHSA-N 1 2 233.315 1.731 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NOC1CCC1)CC2 ZINC000861880463 589181660 /nfs/dbraw/zinc/18/16/60/589181660.db2.gz BZHAKWPVAIBLSC-SNVBAGLBSA-N 1 2 249.314 1.354 20 0 BDADLO CCC[C@@](C)(NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000862261451 589197494 /nfs/dbraw/zinc/19/74/94/589197494.db2.gz DMUROLJOTLTVQT-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@H](C)c1ncnn1C ZINC000862339820 589202081 /nfs/dbraw/zinc/20/20/81/589202081.db2.gz IVPFBWKAAMASPW-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cc1c[nH]c(CN(C)[C@@H]2CC(C)(C)OC2=O)[nH+]1 ZINC000862378026 589205945 /nfs/dbraw/zinc/20/59/45/589205945.db2.gz XHPXTFZGYRHHFI-SECBINFHSA-N 1 2 237.303 1.244 20 0 BDADLO Cc1c[nH]c(CN2CC(CC(F)F)C2)[nH+]1 ZINC000862397913 589209428 /nfs/dbraw/zinc/20/94/28/589209428.db2.gz QCYKANGQOMMACM-UHFFFAOYSA-N 1 2 215.247 1.805 20 0 BDADLO CN1CC[N@H+](CCc2cccs2)CC1=O ZINC000119196152 589247997 /nfs/dbraw/zinc/24/79/97/589247997.db2.gz JNWYTIHVWDUPFN-UHFFFAOYSA-N 1 2 224.329 1.065 20 0 BDADLO CN1CC[N@@H+](CCc2cccs2)CC1=O ZINC000119196152 589247998 /nfs/dbraw/zinc/24/79/98/589247998.db2.gz JNWYTIHVWDUPFN-UHFFFAOYSA-N 1 2 224.329 1.065 20 0 BDADLO O=C1CC2(CCC2)C(=O)N1C[NH+](C1CC1)C1CC1 ZINC000863303154 589277553 /nfs/dbraw/zinc/27/75/53/589277553.db2.gz UDBXBZHJQRCIDN-UHFFFAOYSA-N 1 2 248.326 1.500 20 0 BDADLO COC1CC(O[NH+]=C(N)Cc2cccnc2)C1 ZINC000863461083 589290333 /nfs/dbraw/zinc/29/03/33/589290333.db2.gz VQNAKSZGFQLLOJ-UHFFFAOYSA-N 1 2 235.287 1.300 20 0 BDADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000863475275 589291572 /nfs/dbraw/zinc/29/15/72/589291572.db2.gz KALJNKDAPUJSHH-VWYCJHECSA-N 1 2 242.319 1.336 20 0 BDADLO CCOCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477909 589292135 /nfs/dbraw/zinc/29/21/35/589292135.db2.gz BHZDNAZEFSZLAJ-UHFFFAOYSA-N 1 2 230.308 1.481 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478901 589292347 /nfs/dbraw/zinc/29/23/47/589292347.db2.gz YDBQQMKYNWLRLB-SECBINFHSA-N 1 2 230.308 1.479 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)C1(OC)CCCC1 ZINC000863479383 589292807 /nfs/dbraw/zinc/29/28/07/589292807.db2.gz KISBIDHFSGUVJI-SECBINFHSA-N 1 2 230.308 1.479 20 0 BDADLO CC[C@@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000204198315 589316266 /nfs/dbraw/zinc/31/62/66/589316266.db2.gz HAJYVRQEXLNFME-LLVKDONJSA-N 1 2 229.320 1.298 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1nnc(CC)s1 ZINC000864051859 589334874 /nfs/dbraw/zinc/33/48/74/589334874.db2.gz TZGMMZLSJHYYAH-KCJUWKMLSA-N 1 2 241.360 1.758 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@]12C[C@H]1CCCC2 ZINC000864063798 589337471 /nfs/dbraw/zinc/33/74/71/589337471.db2.gz NAFWTBMQBYAMML-BXKDBHETSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@]12C[C@H]1CCCC2 ZINC000864063798 589337472 /nfs/dbraw/zinc/33/74/72/589337472.db2.gz NAFWTBMQBYAMML-BXKDBHETSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@]1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1(F)F ZINC000864074672 589339986 /nfs/dbraw/zinc/33/99/86/589339986.db2.gz ZVHVTLBPGASWFP-JTQLQIEISA-N 1 2 243.257 1.504 20 0 BDADLO C[C@]1(CCNC(=O)Cc2c[nH+]c[nH]2)CC1(F)F ZINC000864074672 589339987 /nfs/dbraw/zinc/33/99/87/589339987.db2.gz ZVHVTLBPGASWFP-JTQLQIEISA-N 1 2 243.257 1.504 20 0 BDADLO C[C@H](O)c1ccc(N2C[C@H]3COC[C@@]3(C)C2)[nH+]c1 ZINC000864088396 589343041 /nfs/dbraw/zinc/34/30/41/589343041.db2.gz AMXMWZFHHMNQOM-VHRBIJSZSA-N 1 2 248.326 1.608 20 0 BDADLO CO[C@H]1C[C@H](Nc2cccc([C@@H](C)O)[nH+]2)C1 ZINC000864090852 589343169 /nfs/dbraw/zinc/34/31/69/589343169.db2.gz KLKMBJGUAISMML-OPRDCNLKSA-N 1 2 222.288 1.724 20 0 BDADLO CCCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864387846 589357798 /nfs/dbraw/zinc/35/77/98/589357798.db2.gz WEGOQNARTBRSQN-WAYWQWQTSA-N 1 2 240.347 1.181 20 0 BDADLO CC(C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864416074 589360772 /nfs/dbraw/zinc/36/07/72/589360772.db2.gz XTCCLXUFUVIUOY-ARJAWSKDSA-N 1 2 240.347 1.037 20 0 BDADLO CC(C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864416075 589360785 /nfs/dbraw/zinc/36/07/85/589360785.db2.gz XTCCLXUFUVIUOY-ONEGZZNKSA-N 1 2 240.347 1.037 20 0 BDADLO CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000864420003 589360944 /nfs/dbraw/zinc/36/09/44/589360944.db2.gz NVJKZBBEEOPIAW-NSHDSACASA-N 1 2 246.314 1.205 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000864604118 589382356 /nfs/dbraw/zinc/38/23/56/589382356.db2.gz NKTSUZYRSZGQAX-XGEHTFHBSA-N 1 2 224.329 1.498 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000864603980 589382412 /nfs/dbraw/zinc/38/24/12/589382412.db2.gz LZRVDPOSGPPALE-HTQZYQBOSA-N 1 2 226.345 1.888 20 0 BDADLO CCCCN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864724807 589391273 /nfs/dbraw/zinc/39/12/73/589391273.db2.gz RMKONZWJZTVDSA-WAYWQWQTSA-N 1 2 240.347 1.133 20 0 BDADLO CCC(C)(C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864722020 589391461 /nfs/dbraw/zinc/39/14/61/589391461.db2.gz CWUSRJMNSBKFAD-WAYWQWQTSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865162361 589411740 /nfs/dbraw/zinc/41/17/40/589411740.db2.gz KUYVAWDPXZUZIU-WCABBAIRSA-N 1 2 237.303 1.233 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000865157705 589411951 /nfs/dbraw/zinc/41/19/51/589411951.db2.gz BTYPRYMWKISDCU-LMLFDSFASA-N 1 2 233.315 1.328 20 0 BDADLO Cc1cc(CNc2c[nH+]cc(N(C)C)c2)n(C)n1 ZINC000865294924 589420120 /nfs/dbraw/zinc/42/01/20/589420120.db2.gz WOHNXCPAXJBRBX-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CCOC(=O)c1cccc(Cn2cc[nH+]c2)n1 ZINC000865360587 589425874 /nfs/dbraw/zinc/42/58/74/589425874.db2.gz CVPKKZATOMGMEF-UHFFFAOYSA-N 1 2 231.255 1.503 20 0 BDADLO CC(C)(C)c1cn(CC[C@@H]2CCNC2=O)c[nH+]1 ZINC000865376449 589428987 /nfs/dbraw/zinc/42/89/87/589428987.db2.gz NWGONGRGCSYXOU-JTQLQIEISA-N 1 2 235.331 1.707 20 0 BDADLO CCCN(C)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865481069 589439714 /nfs/dbraw/zinc/43/97/14/589439714.db2.gz UIHRPBOWPIXUOQ-UHFFFAOYSA-N 1 2 235.335 1.958 20 0 BDADLO CCCN(C)c1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865481069 589439716 /nfs/dbraw/zinc/43/97/16/589439716.db2.gz UIHRPBOWPIXUOQ-UHFFFAOYSA-N 1 2 235.335 1.958 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H](C)Cn2cncn2)[nH+]c1 ZINC000865479684 589439799 /nfs/dbraw/zinc/43/97/99/589439799.db2.gz DCHAHRZJVIDPMR-UWVGGRQHSA-N 1 2 247.302 1.227 20 0 BDADLO O=C1CN(c2cc3ccccc3c[nH+]2)CCCN1 ZINC000865499133 589441496 /nfs/dbraw/zinc/44/14/96/589441496.db2.gz FYFYMBQCISTUEM-UHFFFAOYSA-N 1 2 241.294 1.561 20 0 BDADLO CCCNc1cc(N(C)Cc2cc[nH]n2)nc[nH+]1 ZINC000865535587 589444234 /nfs/dbraw/zinc/44/42/34/589444234.db2.gz RTPVQGZQZABBLZ-UHFFFAOYSA-N 1 2 246.318 1.658 20 0 BDADLO CCCNc1cc(N(C)Cc2cc[nH]n2)[nH+]cn1 ZINC000865535587 589444236 /nfs/dbraw/zinc/44/42/36/589444236.db2.gz RTPVQGZQZABBLZ-UHFFFAOYSA-N 1 2 246.318 1.658 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865569136 589447555 /nfs/dbraw/zinc/44/75/55/589447555.db2.gz GRPPICWWQCHJEZ-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000865569136 589447557 /nfs/dbraw/zinc/44/75/57/589447557.db2.gz GRPPICWWQCHJEZ-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865578102 589448586 /nfs/dbraw/zinc/44/85/86/589448586.db2.gz XFQQKAHLUAAKMW-UHFFFAOYSA-N 1 2 249.343 1.668 20 0 BDADLO CC/C=C(\F)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000865598878 589449731 /nfs/dbraw/zinc/44/97/31/589449731.db2.gz PAIJTAPHQFRSAK-YWEYNIOJSA-N 1 2 211.240 1.632 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865637212 589453462 /nfs/dbraw/zinc/45/34/62/589453462.db2.gz XEGIVSHGAAVKRP-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H](CO)CC2CC2)[nH+]c1 ZINC000865640463 589453602 /nfs/dbraw/zinc/45/36/02/589453602.db2.gz JBGHKCCBHHQORH-BXKDBHETSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@@H](CO)N(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865638164 589453762 /nfs/dbraw/zinc/45/37/62/589453762.db2.gz XKQNGOPMBXONPL-LURJTMIESA-N 1 2 240.694 1.380 20 0 BDADLO CN(C)c1cncc(NCc2cn(C)c[nH+]2)c1 ZINC000865668122 589455498 /nfs/dbraw/zinc/45/54/98/589455498.db2.gz BNLSZZDIWHAHNW-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@H]2CCO)[nH+]c1 ZINC000865689766 589456008 /nfs/dbraw/zinc/45/60/08/589456008.db2.gz OIXBUJLVFSXUBC-PWSUYJOCSA-N 1 2 236.315 1.486 20 0 BDADLO COc1nccnc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000865696357 589456984 /nfs/dbraw/zinc/45/69/84/589456984.db2.gz AFJBRYUSGFYQBQ-VHSXEESVSA-N 1 2 239.294 1.856 20 0 BDADLO COC[C@@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000865766323 589461441 /nfs/dbraw/zinc/46/14/41/589461441.db2.gz KERBSZSGXJRDEW-LBPRGKRZSA-N 1 2 232.283 1.654 20 0 BDADLO C[C@H]1CCCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865883963 589467338 /nfs/dbraw/zinc/46/73/38/589467338.db2.gz NTCRPVJHFRHBBC-GXSJLCMTSA-N 1 2 237.303 1.234 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2C[C@H](O)C2)[nH+]c1 ZINC000865956167 589470125 /nfs/dbraw/zinc/47/01/25/589470125.db2.gz SSYCGJYPOIHVRF-HGNGGELXSA-N 1 2 208.261 1.070 20 0 BDADLO CC(C)N(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CCC1 ZINC000866017887 589472818 /nfs/dbraw/zinc/47/28/18/589472818.db2.gz AIEBRJGADQRJDV-NSHDSACASA-N 1 2 237.303 1.233 20 0 BDADLO Cc1nc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc[nH+]1 ZINC000866044672 589473832 /nfs/dbraw/zinc/47/38/32/589473832.db2.gz KMNRTTSMIZJFRP-CXWACVEQSA-N 1 2 231.299 1.620 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H]1C ZINC000866054793 589474245 /nfs/dbraw/zinc/47/42/45/589474245.db2.gz KADHVXPDPYYCOF-FXPVBKGRSA-N 1 2 237.303 1.090 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H](O)[C@H](C)O)c1Cl ZINC000866110202 589476811 /nfs/dbraw/zinc/47/68/11/589476811.db2.gz MMBGUJAQASZULQ-JGVFFNPUSA-N 1 2 230.695 1.197 20 0 BDADLO Cc1nc(N2C[C@@H]3CC=CC[C@@H]3C2)nc(N)[nH+]1 ZINC000866162131 589478483 /nfs/dbraw/zinc/47/84/83/589478483.db2.gz LIENSFSZPGHQDD-AOOOYVTPSA-N 1 2 231.303 1.165 20 0 BDADLO Cc1nc(N)nc(N2C[C@@H]3CC=CC[C@@H]3C2)[nH+]1 ZINC000866162131 589478484 /nfs/dbraw/zinc/47/84/84/589478484.db2.gz LIENSFSZPGHQDD-AOOOYVTPSA-N 1 2 231.303 1.165 20 0 BDADLO CCN(CC)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867711403 589531633 /nfs/dbraw/zinc/53/16/33/589531633.db2.gz KJWJEDKUGBZNSG-LLVKDONJSA-N 1 2 245.342 1.472 20 0 BDADLO CCN(CC)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867711403 589531634 /nfs/dbraw/zinc/53/16/34/589531634.db2.gz KJWJEDKUGBZNSG-LLVKDONJSA-N 1 2 245.342 1.472 20 0 BDADLO CCC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867762139 589533430 /nfs/dbraw/zinc/53/34/30/589533430.db2.gz YBKOLCJRNNCHKH-LBPRGKRZSA-N 1 2 245.326 1.803 20 0 BDADLO CC/C=C(\F)C(=O)NCc1[nH+]ccn1CC ZINC000868662036 589571477 /nfs/dbraw/zinc/57/14/77/589571477.db2.gz IHYODXJVDFKOSJ-UITAMQMPSA-N 1 2 225.267 1.783 20 0 BDADLO CC[C@H](CO)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000868678770 589572422 /nfs/dbraw/zinc/57/24/22/589572422.db2.gz MWSMJCCGIJJJGA-NXEZZACHSA-N 1 2 239.319 1.099 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000868697532 589573297 /nfs/dbraw/zinc/57/32/97/589573297.db2.gz BVLVQOJHRFWBJZ-PFSJDWCMSA-N 1 2 223.251 1.187 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000869059306 589585757 /nfs/dbraw/zinc/58/57/57/589585757.db2.gz UZXCBYCKHZPHAM-DLOVCJGASA-N 1 2 249.314 1.234 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC1 ZINC000869108887 589589619 /nfs/dbraw/zinc/58/96/19/589589619.db2.gz QZZMNCVQMWYQPI-ZDUSSCGKSA-N 1 2 245.326 1.588 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC1 ZINC000869108887 589589620 /nfs/dbraw/zinc/58/96/20/589589620.db2.gz QZZMNCVQMWYQPI-ZDUSSCGKSA-N 1 2 245.326 1.588 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000869223662 589593025 /nfs/dbraw/zinc/59/30/25/589593025.db2.gz JMAIUEIRCYGSJN-KLHWPWHYSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000869223662 589593026 /nfs/dbraw/zinc/59/30/26/589593026.db2.gz JMAIUEIRCYGSJN-KLHWPWHYSA-N 1 2 233.315 1.660 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869297741 589596885 /nfs/dbraw/zinc/59/68/85/589596885.db2.gz AVBCQPWLAXFVSC-NHTRTPJGSA-N 1 2 249.314 1.233 20 0 BDADLO Cc1nccnc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000869410474 589604288 /nfs/dbraw/zinc/60/42/88/589604288.db2.gz LJMAWENYYHBUFT-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1nccnc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000869410474 589604289 /nfs/dbraw/zinc/60/42/89/589604289.db2.gz LJMAWENYYHBUFT-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000869887039 589635686 /nfs/dbraw/zinc/63/56/86/589635686.db2.gz IDQZCTSWVFJFBR-RHYQMDGZSA-N 1 2 234.299 1.718 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000869889168 589635966 /nfs/dbraw/zinc/63/59/66/589635966.db2.gz WMMCBEOSXYBGAR-GWNIPJSYSA-N 1 2 248.326 1.798 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000869888657 589636129 /nfs/dbraw/zinc/63/61/29/589636129.db2.gz TTYCWLZWFCMUSE-QTKMDUPCSA-N 1 2 246.310 1.999 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@H]1CCCS1 ZINC000871031098 589716274 /nfs/dbraw/zinc/71/62/74/589716274.db2.gz WUKLJMYZJLJDRA-SNVBAGLBSA-N 1 2 239.344 1.285 20 0 BDADLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)c1ccccc1 ZINC000871718872 589797897 /nfs/dbraw/zinc/79/78/97/589797897.db2.gz NZIVEEXFQVWTQD-JQWIXIFHSA-N 1 2 234.299 1.958 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCO[C@H]1C ZINC000871727959 589799384 /nfs/dbraw/zinc/79/93/84/589799384.db2.gz OTNDZSDJSCPBJO-VHSXEESVSA-N 1 2 230.308 1.335 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCO[C@H]1C ZINC000871727958 589799544 /nfs/dbraw/zinc/79/95/44/589799544.db2.gz OTNDZSDJSCPBJO-UWVGGRQHSA-N 1 2 230.308 1.335 20 0 BDADLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000871737310 589802027 /nfs/dbraw/zinc/80/20/27/589802027.db2.gz FCFAKDLPCLEGEN-CMPLNLGQSA-N 1 2 249.314 1.548 20 0 BDADLO NC(COC1CCC1)=[NH+]OC[C@@H]1CCCOC1 ZINC000871776593 589814079 /nfs/dbraw/zinc/81/40/79/589814079.db2.gz XDKNPPVXUPTWJQ-SNVBAGLBSA-N 1 2 242.319 1.481 20 0 BDADLO NC(COC1CCC1)=[NH+]OCCC1(O)CCC1 ZINC000871778744 589814758 /nfs/dbraw/zinc/81/47/58/589814758.db2.gz VEVBYNZGSYKTMX-UHFFFAOYSA-N 1 2 242.319 1.359 20 0 BDADLO Cn1cc[nH+]c1CNc1c2c(ccc1F)OCO2 ZINC000871854682 589825090 /nfs/dbraw/zinc/82/50/90/589825090.db2.gz RAEMITUVPGFIAE-UHFFFAOYSA-N 1 2 249.245 1.900 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H]1C1CCOCC1)C(=O)OC ZINC000871929405 589833922 /nfs/dbraw/zinc/83/39/22/589833922.db2.gz XWZFCCXFBKJESL-SDDRHHMPSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1ccccc1[C@@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000871985392 589853361 /nfs/dbraw/zinc/85/33/61/589853361.db2.gz OLNUXLQGEKUIKN-AWEZNQCLSA-N 1 2 247.338 1.893 20 0 BDADLO Cc1ccc([C@@H](O)C[NH+]2CC3(C2)CCCO3)cc1 ZINC000871985738 589853385 /nfs/dbraw/zinc/85/33/85/589853385.db2.gz ZRJAZLBSDDSYQH-AWEZNQCLSA-N 1 2 247.338 1.893 20 0 BDADLO CSC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989048 589853743 /nfs/dbraw/zinc/85/37/43/589853743.db2.gz JLWVLOWQCDYQNS-SECBINFHSA-N 1 2 228.361 1.905 20 0 BDADLO CC(C)(C)c1cn(C[C@@]2(O)CCCOC2)c[nH+]1 ZINC000871989791 589854345 /nfs/dbraw/zinc/85/43/45/589854345.db2.gz SNYWDPWZRAHGAW-ZDUSSCGKSA-N 1 2 238.331 1.722 20 0 BDADLO CC(C)(C)c1cn(CC2(O)CCOCC2)c[nH+]1 ZINC000871990163 589854891 /nfs/dbraw/zinc/85/48/91/589854891.db2.gz XWCVSPRTPQEGJN-UHFFFAOYSA-N 1 2 238.331 1.722 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2nonc2C)s1 ZINC000872137987 589880006 /nfs/dbraw/zinc/88/00/06/589880006.db2.gz YRANBIJIMVMQCX-SSDOTTSWSA-N 1 2 238.316 1.994 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H](C)CO1 ZINC000888596888 589895734 /nfs/dbraw/zinc/89/57/34/589895734.db2.gz FVLDRGJRFLBSQZ-GZMMTYOYSA-N 1 2 236.271 1.454 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872294803 589907251 /nfs/dbraw/zinc/90/72/51/589907251.db2.gz BJDMJEXMZSLXEE-PWSUYJOCSA-N 1 2 245.326 1.516 20 0 BDADLO C/C=C(\C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872306580 589908304 /nfs/dbraw/zinc/90/83/04/589908304.db2.gz PJEQFEHQDTYLJI-NYYWCZLTSA-N 1 2 245.326 1.826 20 0 BDADLO Cc1nc(C[NH2+][C@]23CCC[C@H]2OCC3)no1 ZINC000872314001 589909497 /nfs/dbraw/zinc/90/94/97/589909497.db2.gz QIGWIBCOIOLKGS-KOLCDFICSA-N 1 2 223.276 1.179 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC23CCC3)nc[nH+]1 ZINC000872774683 589967838 /nfs/dbraw/zinc/96/78/38/589967838.db2.gz HJJDFZCZOYLYSR-VHSXEESVSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC23CCC3)[nH+]cn1 ZINC000872774683 589967841 /nfs/dbraw/zinc/96/78/41/589967841.db2.gz HJJDFZCZOYLYSR-VHSXEESVSA-N 1 2 248.330 1.624 20 0 BDADLO Cc1nonc1CNc1ccc([C@H](C)O)c[nH+]1 ZINC000872777747 589969252 /nfs/dbraw/zinc/96/92/52/589969252.db2.gz NNZAFLQDXISTSZ-QMMMGPOBSA-N 1 2 234.259 1.438 20 0 BDADLO S=c1scnn1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872785266 589970688 /nfs/dbraw/zinc/97/06/88/589970688.db2.gz NBHSTDKRCKKTBQ-OCAPTIKFSA-N 1 2 243.357 1.210 20 0 BDADLO S=c1scnn1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872785266 589970689 /nfs/dbraw/zinc/97/06/89/589970689.db2.gz NBHSTDKRCKKTBQ-OCAPTIKFSA-N 1 2 243.357 1.210 20 0 BDADLO CCC[C@@](C)([NH2+]CCC1OCCO1)C(=O)OC ZINC000124343686 589978171 /nfs/dbraw/zinc/97/81/71/589978171.db2.gz AODVBMGYEBWFFL-GFCCVEGCSA-N 1 2 245.319 1.071 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC12CCC2 ZINC000873031684 589980714 /nfs/dbraw/zinc/98/07/14/589980714.db2.gz XYFUSFQTQOYNLA-SNVBAGLBSA-N 1 2 248.330 1.645 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1(C)CC(F)(F)C1 ZINC000873508955 590051862 /nfs/dbraw/zinc/05/18/62/590051862.db2.gz XTUSFMPAYAIMAZ-UHFFFAOYSA-N 1 2 244.241 1.899 20 0 BDADLO C[C@H](O)c1ccc(N2CCSCC2)[nH+]c1 ZINC000124901817 590097616 /nfs/dbraw/zinc/09/76/16/590097616.db2.gz FINRLKYHERHDEW-VIFPVBQESA-N 1 2 224.329 1.688 20 0 BDADLO C[C@@H](O)c1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000124896100 590098010 /nfs/dbraw/zinc/09/80/10/590098010.db2.gz HSMKLMDEUKLNDJ-NXEZZACHSA-N 1 2 222.288 1.360 20 0 BDADLO Cc1ccc(NC(=O)[C@]2(C)CCC(=O)N2)c(C)[nH+]1 ZINC000875435151 590163718 /nfs/dbraw/zinc/16/37/18/590163718.db2.gz RFVWNVHMVYRGNQ-ZDUSSCGKSA-N 1 2 247.298 1.306 20 0 BDADLO Cc1nocc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000888716375 590194175 /nfs/dbraw/zinc/19/41/75/590194175.db2.gz GHAIWTGGCFDDDJ-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC1(C)CCCC1)C2 ZINC000876745212 590236033 /nfs/dbraw/zinc/23/60/33/590236033.db2.gz ARYAGYFFPFHBQC-UHFFFAOYSA-N 1 2 234.347 1.982 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC1(C)CCCC1)C2 ZINC000876745212 590236035 /nfs/dbraw/zinc/23/60/35/590236035.db2.gz ARYAGYFFPFHBQC-UHFFFAOYSA-N 1 2 234.347 1.982 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CC[C@H](OC)C2)c1 ZINC000876746092 590236626 /nfs/dbraw/zinc/23/66/26/590236626.db2.gz OSSHYHAFCHWDED-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CC[C@H](OC)C2)c1 ZINC000876746092 590236627 /nfs/dbraw/zinc/23/66/27/590236627.db2.gz OSSHYHAFCHWDED-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CC=CCC2)c1 ZINC000877167799 590295329 /nfs/dbraw/zinc/29/53/29/590295329.db2.gz JMROOHPBKXETPG-UHFFFAOYSA-N 1 2 222.263 1.991 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CC=CCC2)c1 ZINC000877167799 590295331 /nfs/dbraw/zinc/29/53/31/590295331.db2.gz JMROOHPBKXETPG-UHFFFAOYSA-N 1 2 222.263 1.991 20 0 BDADLO OCC(F)(F)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877394695 590322629 /nfs/dbraw/zinc/32/26/29/590322629.db2.gz TYWBYRPSYWTHPY-RXMQYKEDSA-N 1 2 234.073 1.397 20 0 BDADLO COC[C@H]([NH2+]CCC(C)(C)SC)C(=O)OC ZINC000877469699 590335033 /nfs/dbraw/zinc/33/50/33/590335033.db2.gz SDVZOVHGBKORNW-VIFPVBQESA-N 1 2 249.376 1.296 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877470310 590335310 /nfs/dbraw/zinc/33/53/10/590335310.db2.gz BOCRJVJDJJYSIR-NKWVEPMBSA-N 1 2 240.130 1.721 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000877477102 590336074 /nfs/dbraw/zinc/33/60/74/590336074.db2.gz XLKUOHCOZRISFP-NAKRPEOUSA-N 1 2 239.315 1.095 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877492381 590339614 /nfs/dbraw/zinc/33/96/14/590339614.db2.gz JAAFJAHMXWDSLZ-PHDIDXHHSA-N 1 2 226.103 1.331 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877492382 590339969 /nfs/dbraw/zinc/33/99/69/590339969.db2.gz JAAFJAHMXWDSLZ-RITPCOANSA-N 1 2 226.103 1.331 20 0 BDADLO CCOC(=O)c1cc(C[NH+]2CC(C)C2)on1 ZINC000877489514 590340224 /nfs/dbraw/zinc/34/02/24/590340224.db2.gz UCRUPRPCMVKRPX-UHFFFAOYSA-N 1 2 224.260 1.303 20 0 BDADLO C[N@H+](CCC(N)=O)Cc1nc(Cl)cs1 ZINC000877520897 590345593 /nfs/dbraw/zinc/34/55/93/590345593.db2.gz KEHDOBCOKJAQMM-UHFFFAOYSA-N 1 2 233.724 1.104 20 0 BDADLO C[N@@H+](CCC(N)=O)Cc1nc(Cl)cs1 ZINC000877520897 590345596 /nfs/dbraw/zinc/34/55/96/590345596.db2.gz KEHDOBCOKJAQMM-UHFFFAOYSA-N 1 2 233.724 1.104 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000877629709 590377949 /nfs/dbraw/zinc/37/79/49/590377949.db2.gz VKYDIWRJJNVSIL-RYUDHWBXSA-N 1 2 244.298 1.083 20 0 BDADLO Cc1nocc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000888750754 590407831 /nfs/dbraw/zinc/40/78/31/590407831.db2.gz ICMKPJYVZKQZLD-MRVPVSSYSA-N 1 2 249.274 1.390 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](O)CC(C)(C)C2)[nH+]c1C ZINC000877751446 590415722 /nfs/dbraw/zinc/41/57/22/590415722.db2.gz GFOONXLGYWMLDW-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO CC(C)(C)OC1C[NH+](Cc2cn[nH]c2)C1 ZINC000877769604 590421576 /nfs/dbraw/zinc/42/15/76/590421576.db2.gz FSIZMNPIMYOKPX-UHFFFAOYSA-N 1 2 209.293 1.409 20 0 BDADLO CCOC(=O)[C@H](C)C1C[NH+](Cc2cncnc2)C1 ZINC000877829367 590428879 /nfs/dbraw/zinc/42/88/79/590428879.db2.gz RSCCGMTZHRSKMX-SNVBAGLBSA-N 1 2 249.314 1.108 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)CC(C)(C)O ZINC000878033514 590476407 /nfs/dbraw/zinc/47/64/07/590476407.db2.gz XZODTRGRTWETGF-SECBINFHSA-N 1 2 239.306 1.485 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)CC(C)(C)O ZINC000878033514 590476409 /nfs/dbraw/zinc/47/64/09/590476409.db2.gz XZODTRGRTWETGF-SECBINFHSA-N 1 2 239.306 1.485 20 0 BDADLO CCOC(=O)C[N@H+](CC[C@H](O)C(C)C)C1CC1 ZINC000878035838 590476737 /nfs/dbraw/zinc/47/67/37/590476737.db2.gz AGYJPPTZOWWNSC-LBPRGKRZSA-N 1 2 243.347 1.421 20 0 BDADLO CCOC(=O)C[N@@H+](CC[C@H](O)C(C)C)C1CC1 ZINC000878035838 590476739 /nfs/dbraw/zinc/47/67/39/590476739.db2.gz AGYJPPTZOWWNSC-LBPRGKRZSA-N 1 2 243.347 1.421 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC2(CCC2)CO1 ZINC000878097483 590492404 /nfs/dbraw/zinc/49/24/04/590492404.db2.gz DLQINENNNZQFHQ-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC2(CCC2)CO1 ZINC000878097483 590492406 /nfs/dbraw/zinc/49/24/06/590492406.db2.gz DLQINENNNZQFHQ-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878097599 590493171 /nfs/dbraw/zinc/49/31/71/590493171.db2.gz IWRKEHSRDCPDOX-KGYLQXTDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878097599 590493172 /nfs/dbraw/zinc/49/31/72/590493172.db2.gz IWRKEHSRDCPDOX-KGYLQXTDSA-N 1 2 235.331 1.799 20 0 BDADLO CN1CC[N@H+](CC[C@@H]2CCCC2(F)F)CC1=O ZINC000878124686 590501063 /nfs/dbraw/zinc/50/10/63/590501063.db2.gz HDCWTSHSIWNSSS-JTQLQIEISA-N 1 2 246.301 1.586 20 0 BDADLO CN1CC[N@@H+](CC[C@@H]2CCCC2(F)F)CC1=O ZINC000878124686 590501066 /nfs/dbraw/zinc/50/10/66/590501066.db2.gz HDCWTSHSIWNSSS-JTQLQIEISA-N 1 2 246.301 1.586 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@@H](O)CC(C)(C)O ZINC000878156763 590509333 /nfs/dbraw/zinc/50/93/33/590509333.db2.gz WMWDZUQEUPCVGP-VIFPVBQESA-N 1 2 244.360 1.097 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@@H](O)CC(C)(C)O ZINC000878156763 590509334 /nfs/dbraw/zinc/50/93/34/590509334.db2.gz WMWDZUQEUPCVGP-VIFPVBQESA-N 1 2 244.360 1.097 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000878215946 590524912 /nfs/dbraw/zinc/52/49/12/590524912.db2.gz BOUQNGSSRAXDHR-DRZSPHRISA-N 1 2 247.342 1.824 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1c[nH]cc1C1CC1 ZINC000878222754 590526139 /nfs/dbraw/zinc/52/61/39/590526139.db2.gz GWWNVLRIQHDUEU-UHFFFAOYSA-N 1 2 244.298 1.519 20 0 BDADLO CCCNc1cc(NC[C@H](O)C(C)C)nc[nH+]1 ZINC000127052264 590552659 /nfs/dbraw/zinc/55/26/59/590552659.db2.gz KEIFVAMKNIQMOH-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO CCCNc1cc(NC[C@H](O)C(C)C)[nH+]cn1 ZINC000127052264 590552662 /nfs/dbraw/zinc/55/26/62/590552662.db2.gz KEIFVAMKNIQMOH-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878536735 590588708 /nfs/dbraw/zinc/58/87/08/590588708.db2.gz BFTFROUGRPCTKC-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878536735 590588710 /nfs/dbraw/zinc/58/87/10/590588710.db2.gz BFTFROUGRPCTKC-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CCOC1=O ZINC000878631360 590597566 /nfs/dbraw/zinc/59/75/66/590597566.db2.gz FDEJOKDVGUULHJ-XZUYRWCXSA-N 1 2 239.315 1.239 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc3c(c(=O)[nH]2)COCC3)[C@H]1C ZINC000878652297 590602471 /nfs/dbraw/zinc/60/24/71/590602471.db2.gz OAYDXKYARDPVIX-BDAKNGLRSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc3c(c(=O)[nH]2)COCC3)[C@H]1C ZINC000878652297 590602472 /nfs/dbraw/zinc/60/24/72/590602472.db2.gz OAYDXKYARDPVIX-BDAKNGLRSA-N 1 2 249.314 1.095 20 0 BDADLO CCOC(C[N@H+](CC)CC(C)=O)OCC ZINC000878686241 590607980 /nfs/dbraw/zinc/60/79/80/590607980.db2.gz VXRQUBWJLLWZFS-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CCOC(C[N@@H+](CC)CC(C)=O)OCC ZINC000878686241 590607981 /nfs/dbraw/zinc/60/79/81/590607981.db2.gz VXRQUBWJLLWZFS-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678308 590608874 /nfs/dbraw/zinc/60/88/74/590608874.db2.gz SPKDKSQJWOVBME-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678308 590608875 /nfs/dbraw/zinc/60/88/75/590608875.db2.gz SPKDKSQJWOVBME-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000878712080 590613943 /nfs/dbraw/zinc/61/39/43/590613943.db2.gz VVWIMQVMAALGFY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000878712080 590613944 /nfs/dbraw/zinc/61/39/44/590613944.db2.gz VVWIMQVMAALGFY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000878712080 590613945 /nfs/dbraw/zinc/61/39/45/590613945.db2.gz VVWIMQVMAALGFY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000878712080 590613946 /nfs/dbraw/zinc/61/39/46/590613946.db2.gz VVWIMQVMAALGFY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000878712080 590613947 /nfs/dbraw/zinc/61/39/47/590613947.db2.gz VVWIMQVMAALGFY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000878712080 590613948 /nfs/dbraw/zinc/61/39/48/590613948.db2.gz VVWIMQVMAALGFY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO C=C/C=C/CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726625 590616896 /nfs/dbraw/zinc/61/68/96/590616896.db2.gz RTORQHLYDJSWTE-SNAWJCMRSA-N 1 2 209.249 1.339 20 0 BDADLO C=C/C=C/CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000878726625 590616899 /nfs/dbraw/zinc/61/68/99/590616899.db2.gz RTORQHLYDJSWTE-SNAWJCMRSA-N 1 2 209.249 1.339 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755378 590618629 /nfs/dbraw/zinc/61/86/29/590618629.db2.gz DQONETUJXXBOOD-OLZOCXBDSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755378 590618631 /nfs/dbraw/zinc/61/86/31/590618631.db2.gz DQONETUJXXBOOD-OLZOCXBDSA-N 1 2 246.310 1.577 20 0 BDADLO O=C(C[N@H+]1CCC=C(Cl)C1)NC1CCCC1 ZINC000878793296 590624347 /nfs/dbraw/zinc/62/43/47/590624347.db2.gz LRUOWNJXFLTPCE-UHFFFAOYSA-N 1 2 242.750 1.874 20 0 BDADLO O=C(C[N@@H+]1CCC=C(Cl)C1)NC1CCCC1 ZINC000878793296 590624348 /nfs/dbraw/zinc/62/43/48/590624348.db2.gz LRUOWNJXFLTPCE-UHFFFAOYSA-N 1 2 242.750 1.874 20 0 BDADLO C[N@@H+]1CCN(CC[S@](C)=O)C[C@H]1C(C)(C)C ZINC000878841136 590630311 /nfs/dbraw/zinc/63/03/11/590630311.db2.gz UFZVSQJWANSZHA-ZBEGNZNMSA-N 1 2 246.420 1.027 20 0 BDADLO C[N@H+]1CCN(CC[S@](C)=O)C[C@H]1C(C)(C)C ZINC000878841136 590630312 /nfs/dbraw/zinc/63/03/12/590630312.db2.gz UFZVSQJWANSZHA-ZBEGNZNMSA-N 1 2 246.420 1.027 20 0 BDADLO Cn1cc(C2=CCC[N@H+](Cc3cnon3)C2)cn1 ZINC000878907936 590644824 /nfs/dbraw/zinc/64/48/24/590644824.db2.gz GRSCAQPXBFYNKF-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO Cn1cc(C2=CCC[N@@H+](Cc3cnon3)C2)cn1 ZINC000878907936 590644828 /nfs/dbraw/zinc/64/48/28/590644828.db2.gz GRSCAQPXBFYNKF-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CCO1 ZINC000878967870 590663087 /nfs/dbraw/zinc/66/30/87/590663087.db2.gz KNZYRKCAZYECQX-QWHCGFSZSA-N 1 2 237.299 1.025 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCO1 ZINC000878967870 590663088 /nfs/dbraw/zinc/66/30/88/590663088.db2.gz KNZYRKCAZYECQX-QWHCGFSZSA-N 1 2 237.299 1.025 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CCO1 ZINC000878970072 590664920 /nfs/dbraw/zinc/66/49/20/590664920.db2.gz JLRVOIHKMPSRTQ-LBPRGKRZSA-N 1 2 249.270 1.028 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CCO1 ZINC000878970072 590664921 /nfs/dbraw/zinc/66/49/21/590664921.db2.gz JLRVOIHKMPSRTQ-LBPRGKRZSA-N 1 2 249.270 1.028 20 0 BDADLO C[C@H]1CN(C(=O)c2cnc(C3CC3)o2)CC[N@@H+]1C ZINC000878977565 590667065 /nfs/dbraw/zinc/66/70/65/590667065.db2.gz QRPCNSYQUVCBQB-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1CN(C(=O)c2cnc(C3CC3)o2)CC[N@H+]1C ZINC000878977565 590667068 /nfs/dbraw/zinc/66/70/68/590667068.db2.gz QRPCNSYQUVCBQB-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2C=CCC2)cc[nH+]1 ZINC000879070059 590692148 /nfs/dbraw/zinc/69/21/48/590692148.db2.gz HCACSWHTRRMTJU-LLVKDONJSA-N 1 2 231.299 1.900 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1C=CCC1 ZINC000879073382 590693203 /nfs/dbraw/zinc/69/32/03/590693203.db2.gz SYXLPDHNCNCTEP-NSHDSACASA-N 1 2 231.299 1.900 20 0 BDADLO Cc1n[nH]cc1CN(C)Cc1[nH]cc[nH+]1 ZINC000879186829 590709453 /nfs/dbraw/zinc/70/94/53/590709453.db2.gz RSJDKPJBISFOAK-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOC(F)F ZINC000879189042 590712087 /nfs/dbraw/zinc/71/20/87/590712087.db2.gz XRJHBBVSTABHRA-UHFFFAOYSA-N 1 2 219.235 1.389 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOC(F)F ZINC000879189042 590712089 /nfs/dbraw/zinc/71/20/89/590712089.db2.gz XRJHBBVSTABHRA-UHFFFAOYSA-N 1 2 219.235 1.389 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)no2)C1 ZINC000879318591 590738474 /nfs/dbraw/zinc/73/84/74/590738474.db2.gz NCRCPQZGIAYFOL-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)no2)C1 ZINC000879318591 590738476 /nfs/dbraw/zinc/73/84/76/590738476.db2.gz NCRCPQZGIAYFOL-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)no2)C1 ZINC000879318592 590738999 /nfs/dbraw/zinc/73/89/99/590738999.db2.gz NCRCPQZGIAYFOL-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)no2)C1 ZINC000879318592 590739001 /nfs/dbraw/zinc/73/90/01/590739001.db2.gz NCRCPQZGIAYFOL-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](CC(=O)OCC(C)C)C1 ZINC000879322734 590741924 /nfs/dbraw/zinc/74/19/24/590741924.db2.gz VMTYMAKELNNVJZ-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](CC(=O)OCC(C)C)C1 ZINC000879322734 590741928 /nfs/dbraw/zinc/74/19/28/590741928.db2.gz VMTYMAKELNNVJZ-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cnon2)C1 ZINC000879324208 590745108 /nfs/dbraw/zinc/74/51/08/590745108.db2.gz FSJUAGMZONHICT-PSASIEDQSA-N 1 2 211.265 1.069 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnon2)C1 ZINC000879324208 590745112 /nfs/dbraw/zinc/74/51/12/590745112.db2.gz FSJUAGMZONHICT-PSASIEDQSA-N 1 2 211.265 1.069 20 0 BDADLO COCC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501712 590783207 /nfs/dbraw/zinc/78/32/07/590783207.db2.gz QHIFRVHXZGRPIP-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO COCC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501712 590783209 /nfs/dbraw/zinc/78/32/09/590783209.db2.gz QHIFRVHXZGRPIP-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566741 590807545 /nfs/dbraw/zinc/80/75/45/590807545.db2.gz XIHYYCZFKTXKGK-RKDXNWHRSA-N 1 2 241.385 1.723 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566741 590807547 /nfs/dbraw/zinc/80/75/47/590807547.db2.gz XIHYYCZFKTXKGK-RKDXNWHRSA-N 1 2 241.385 1.723 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@@H+](C/C=C/Cl)C[C@H]2C1 ZINC000879931509 590890530 /nfs/dbraw/zinc/89/05/30/590890530.db2.gz SSTKQSUWZINAJR-MRSNMJRISA-N 1 2 249.763 1.105 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@H+](C/C=C/Cl)C[C@H]2C1 ZINC000879931509 590890532 /nfs/dbraw/zinc/89/05/32/590890532.db2.gz SSTKQSUWZINAJR-MRSNMJRISA-N 1 2 249.763 1.105 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](CC)OC ZINC000879981918 590903917 /nfs/dbraw/zinc/90/39/17/590903917.db2.gz XGDBDXYLJSSVGB-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO COC(=O)[C@@H](Cc1cncs1)[NH2+]C(C)C ZINC000879993178 590905739 /nfs/dbraw/zinc/90/57/39/590905739.db2.gz OZVVSMAXKJAZPL-SECBINFHSA-N 1 2 228.317 1.225 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000879999634 590906366 /nfs/dbraw/zinc/90/63/66/590906366.db2.gz GRFWEORWDFPIPR-IONNQARKSA-N 1 2 237.221 1.576 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000879999634 590906370 /nfs/dbraw/zinc/90/63/70/590906370.db2.gz GRFWEORWDFPIPR-IONNQARKSA-N 1 2 237.221 1.576 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000879999632 590906827 /nfs/dbraw/zinc/90/68/27/590906827.db2.gz GRFWEORWDFPIPR-APPZFPTMSA-N 1 2 237.221 1.576 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000879999632 590906831 /nfs/dbraw/zinc/90/68/31/590906831.db2.gz GRFWEORWDFPIPR-APPZFPTMSA-N 1 2 237.221 1.576 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000880034557 590913893 /nfs/dbraw/zinc/91/38/93/590913893.db2.gz YYYKYWMEHLAQGZ-QWRGUYRKSA-N 1 2 245.326 1.731 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000880034557 590913897 /nfs/dbraw/zinc/91/38/97/590913897.db2.gz YYYKYWMEHLAQGZ-QWRGUYRKSA-N 1 2 245.326 1.731 20 0 BDADLO COCC1([N@H+](C)Cc2noc(C)n2)CCC1 ZINC000880186630 590954287 /nfs/dbraw/zinc/95/42/87/590954287.db2.gz JMAPEPIHDJUZCB-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COCC1([N@@H+](C)Cc2noc(C)n2)CCC1 ZINC000880186630 590954289 /nfs/dbraw/zinc/95/42/89/590954289.db2.gz JMAPEPIHDJUZCB-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H](CF)C2)no1 ZINC000880236814 590967839 /nfs/dbraw/zinc/96/78/39/590967839.db2.gz JNCOPHXZCAESLM-SECBINFHSA-N 1 2 243.282 1.398 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H](CF)C2)no1 ZINC000880236814 590967844 /nfs/dbraw/zinc/96/78/44/590967844.db2.gz JNCOPHXZCAESLM-SECBINFHSA-N 1 2 243.282 1.398 20 0 BDADLO FC[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000880294094 590988691 /nfs/dbraw/zinc/98/86/91/590988691.db2.gz RTKGDFVTJWCRHN-QMMMGPOBSA-N 1 2 225.267 1.738 20 0 BDADLO FC[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000880294094 590988695 /nfs/dbraw/zinc/98/86/95/590988695.db2.gz RTKGDFVTJWCRHN-QMMMGPOBSA-N 1 2 225.267 1.738 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](CF)C2)s1 ZINC000880298982 590993824 /nfs/dbraw/zinc/99/38/24/590993824.db2.gz MSGLXMICTAOGLJ-QMMMGPOBSA-N 1 2 215.297 1.638 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](CF)C2)s1 ZINC000880298982 590993826 /nfs/dbraw/zinc/99/38/26/590993826.db2.gz MSGLXMICTAOGLJ-QMMMGPOBSA-N 1 2 215.297 1.638 20 0 BDADLO FC[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000880299497 590994150 /nfs/dbraw/zinc/99/41/50/590994150.db2.gz HTABLAVFJIZEKE-ZCFIWIBFSA-N 1 2 235.209 1.799 20 0 BDADLO FC[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000880299497 590994152 /nfs/dbraw/zinc/99/41/52/590994152.db2.gz HTABLAVFJIZEKE-ZCFIWIBFSA-N 1 2 235.209 1.799 20 0 BDADLO COCc1noc(C[N@@H+]2CC[C@@H](CF)C2)n1 ZINC000880299812 590995843 /nfs/dbraw/zinc/99/58/43/590995843.db2.gz XZVHSRXRUNMFQS-QMMMGPOBSA-N 1 2 229.255 1.007 20 0 BDADLO COCc1noc(C[N@H+]2CC[C@@H](CF)C2)n1 ZINC000880299812 590995846 /nfs/dbraw/zinc/99/58/46/590995846.db2.gz XZVHSRXRUNMFQS-QMMMGPOBSA-N 1 2 229.255 1.007 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC000880415953 591026697 /nfs/dbraw/zinc/02/66/97/591026697.db2.gz DOSIHLDXQGJKKB-HZGVNTEJSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC000880415953 591026702 /nfs/dbraw/zinc/02/67/02/591026702.db2.gz DOSIHLDXQGJKKB-HZGVNTEJSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC000880418769 591027612 /nfs/dbraw/zinc/02/76/12/591027612.db2.gz NTVFCTIUURWDFZ-VSRJXHDMSA-N 1 2 208.088 1.372 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC000880418769 591027618 /nfs/dbraw/zinc/02/76/18/591027618.db2.gz NTVFCTIUURWDFZ-VSRJXHDMSA-N 1 2 208.088 1.372 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC000880420881 591028757 /nfs/dbraw/zinc/02/87/57/591028757.db2.gz RQCHSSWPGXQDER-CABZTGNLSA-N 1 2 220.272 1.119 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC000880420881 591028763 /nfs/dbraw/zinc/02/87/63/591028763.db2.gz RQCHSSWPGXQDER-CABZTGNLSA-N 1 2 220.272 1.119 20 0 BDADLO Cc1csc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880486521 591059873 /nfs/dbraw/zinc/05/98/73/591059873.db2.gz OJPZUFDPTZMNED-SECBINFHSA-N 1 2 210.302 1.184 20 0 BDADLO Cc1csc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880486521 591059876 /nfs/dbraw/zinc/05/98/76/591059876.db2.gz OJPZUFDPTZMNED-SECBINFHSA-N 1 2 210.302 1.184 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CC=C[C@@H]2CO)c(C)n1C ZINC000880486342 591062225 /nfs/dbraw/zinc/06/22/25/591062225.db2.gz QFMAHIYRXSFVSU-GFCCVEGCSA-N 1 2 248.326 1.057 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CC=C[C@@H]2CO)c(C)n1C ZINC000880486342 591062230 /nfs/dbraw/zinc/06/22/30/591062230.db2.gz QFMAHIYRXSFVSU-GFCCVEGCSA-N 1 2 248.326 1.057 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000880488546 591063553 /nfs/dbraw/zinc/06/35/53/591063553.db2.gz HGILUGDXAAWVGP-LLVKDONJSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000880488546 591063557 /nfs/dbraw/zinc/06/35/57/591063557.db2.gz HGILUGDXAAWVGP-LLVKDONJSA-N 1 2 224.691 1.468 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCc3ncncc3C2)o1 ZINC000880599760 591108249 /nfs/dbraw/zinc/10/82/49/591108249.db2.gz PSBYSEODDZRZOX-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCc3ncncc3C2)o1 ZINC000880599760 591108251 /nfs/dbraw/zinc/10/82/51/591108251.db2.gz PSBYSEODDZRZOX-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO CCCNc1cc(NC[C@@H]2CCCO2)nc[nH+]1 ZINC000128666372 591147575 /nfs/dbraw/zinc/14/75/75/591147575.db2.gz RMGXHATUDARONJ-JTQLQIEISA-N 1 2 236.319 1.889 20 0 BDADLO CCCNc1cc(NC[C@@H]2CCCO2)[nH+]cn1 ZINC000128666372 591147577 /nfs/dbraw/zinc/14/75/77/591147577.db2.gz RMGXHATUDARONJ-JTQLQIEISA-N 1 2 236.319 1.889 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H](C)CO1 ZINC000888852518 591154272 /nfs/dbraw/zinc/15/42/72/591154272.db2.gz WDSNNZSNDDIMAF-GZMMTYOYSA-N 1 2 220.272 1.175 20 0 BDADLO CC[C@@H](O)c1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000881287655 591180836 /nfs/dbraw/zinc/18/08/36/591180836.db2.gz TVRUQOAVHRAICK-GFCCVEGCSA-N 1 2 248.286 1.173 20 0 BDADLO Cc1cc(Cn2cc([C@H]3CCOC3)nn2)cc[nH+]1 ZINC000881322337 591190772 /nfs/dbraw/zinc/19/07/72/591190772.db2.gz GIVCGPFIIHHCRU-LBPRGKRZSA-N 1 2 244.298 1.534 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C=CCC2)c[nH+]1 ZINC000881493056 591216328 /nfs/dbraw/zinc/21/63/28/591216328.db2.gz OUHUHMXQRPARMV-SECBINFHSA-N 1 2 205.261 1.414 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@H]1C=CCC1 ZINC000881494126 591217455 /nfs/dbraw/zinc/21/74/55/591217455.db2.gz DDIWXTMAFTUHBZ-LBPRGKRZSA-N 1 2 233.315 1.746 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1C=CCC1 ZINC000881497030 591219581 /nfs/dbraw/zinc/21/95/81/591219581.db2.gz REUQSECRWUINAF-SNVBAGLBSA-N 1 2 219.288 1.045 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C=CCC1 ZINC000881497469 591220093 /nfs/dbraw/zinc/22/00/93/591220093.db2.gz BMHLPLBUTOLUAG-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000881571242 591244831 /nfs/dbraw/zinc/24/48/31/591244831.db2.gz XQQVDYCPHCVBFZ-WYGGZMRJSA-N 1 2 233.315 1.837 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000881571242 591244832 /nfs/dbraw/zinc/24/48/32/591244832.db2.gz XQQVDYCPHCVBFZ-WYGGZMRJSA-N 1 2 233.315 1.837 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H](CF)C1 ZINC000881667258 591262368 /nfs/dbraw/zinc/26/23/68/591262368.db2.gz IIIJGIYFEKHOLO-SNVBAGLBSA-N 1 2 225.267 1.091 20 0 BDADLO Cc1[nH+]cnc(NCCCn2cccn2)c1C ZINC000881796380 591271502 /nfs/dbraw/zinc/27/15/02/591271502.db2.gz YOGAQWDWDJVQNK-UHFFFAOYSA-N 1 2 231.303 1.792 20 0 BDADLO COCCOCCNc1nc[nH+]c(C)c1C ZINC000881800451 591271836 /nfs/dbraw/zinc/27/18/36/591271836.db2.gz XXUAESAAFYMJAG-UHFFFAOYSA-N 1 2 225.292 1.168 20 0 BDADLO CCN(CC)C(=O)CNc1nc[nH+]c(C)c1C ZINC000881846857 591274364 /nfs/dbraw/zinc/27/43/64/591274364.db2.gz PPHXGYFTSYPKPS-UHFFFAOYSA-N 1 2 236.319 1.374 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1nc[nH+]c(C)c1C ZINC000881977083 591284636 /nfs/dbraw/zinc/28/46/36/591284636.db2.gz JYZFKRYOWGULPA-LDYMZIIASA-N 1 2 223.320 1.912 20 0 BDADLO Cc1[nH+]cnc(N2CCC([C@H](C)O)CC2)c1C ZINC000881966903 591284952 /nfs/dbraw/zinc/28/49/52/591284952.db2.gz NQTUAMOKINEQDS-NSHDSACASA-N 1 2 235.331 1.691 20 0 BDADLO Cc1[nH+]cnc(NC[C@@](C)(O)C2CC2)c1C ZINC000881975879 591285021 /nfs/dbraw/zinc/28/50/21/591285021.db2.gz VXGPCXLNVAJAFB-GFCCVEGCSA-N 1 2 221.304 1.666 20 0 BDADLO CC[C@H](CCO)Nc1nc[nH+]c(C)c1C ZINC000882008381 591287331 /nfs/dbraw/zinc/28/73/31/591287331.db2.gz UDPHOCGPQBMDCE-SNVBAGLBSA-N 1 2 209.293 1.666 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2CCC[C@H]2O)c1C ZINC000882029867 591288689 /nfs/dbraw/zinc/28/86/89/591288689.db2.gz IZAQSVGUNTWTCB-WDEREUQCSA-N 1 2 221.304 1.666 20 0 BDADLO COC(=O)C(C)(C)CNc1nc[nH+]c(C)c1C ZINC000882081995 591294678 /nfs/dbraw/zinc/29/46/78/591294678.db2.gz KZYPEZGLXLKOGI-UHFFFAOYSA-N 1 2 237.303 1.705 20 0 BDADLO CC[C@@H](O)CCNc1nc[nH+]c(C)c1C ZINC000882098931 591298163 /nfs/dbraw/zinc/29/81/63/591298163.db2.gz PFMGGSJQZXQTHS-SNVBAGLBSA-N 1 2 209.293 1.666 20 0 BDADLO CCCNc1cc(N2CCOC[C@H]2C)nc[nH+]1 ZINC000129447179 591301216 /nfs/dbraw/zinc/30/12/16/591301216.db2.gz FWPXMCZMNRXYEQ-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N2CCOC[C@H]2C)[nH+]cn1 ZINC000129447179 591301219 /nfs/dbraw/zinc/30/12/19/591301219.db2.gz FWPXMCZMNRXYEQ-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO Cc1c(CNc2nc[nH+]c(C)c2C)cnn1C ZINC000882136430 591303981 /nfs/dbraw/zinc/30/39/81/591303981.db2.gz PWQFDRBBZZHAJT-UHFFFAOYSA-N 1 2 231.303 1.747 20 0 BDADLO Cc1[nH+]cnc(NCc2ccn(C)n2)c1C ZINC000882145836 591305398 /nfs/dbraw/zinc/30/53/98/591305398.db2.gz QKPXFXDQFAYEGT-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1[nH+]cnc(N(C)CC2(O)CCC2)c1C ZINC000882185881 591312878 /nfs/dbraw/zinc/31/28/78/591312878.db2.gz LMJCJKFFQBVIJI-UHFFFAOYSA-N 1 2 221.304 1.445 20 0 BDADLO Cc1[nH+]cnc(NCCc2ccn(C)n2)c1C ZINC000882186517 591313032 /nfs/dbraw/zinc/31/30/32/591313032.db2.gz CVVJFUDSVVGOAZ-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO Cc1[nH+]cnc(NCc2nnc(C3CC3)o2)c1C ZINC000882208475 591316093 /nfs/dbraw/zinc/31/60/93/591316093.db2.gz SQJOAYZDMCZANW-UHFFFAOYSA-N 1 2 245.286 1.966 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@H](C(F)F)C2)c1 ZINC000882317534 591329993 /nfs/dbraw/zinc/32/99/93/591329993.db2.gz IRNIXJMSCMISNP-VIFPVBQESA-N 1 2 244.241 1.044 20 0 BDADLO Cc1cc(CNc2nc[nH+]c(C)c2C)n(C)n1 ZINC000882327157 591332534 /nfs/dbraw/zinc/33/25/34/591332534.db2.gz YHUOIVDSWKEQBE-UHFFFAOYSA-N 1 2 231.303 1.747 20 0 BDADLO CC(=O)N1CC[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000882378501 591339885 /nfs/dbraw/zinc/33/98/85/591339885.db2.gz AQNDUQYJIXDNEY-LBPRGKRZSA-N 1 2 248.330 1.374 20 0 BDADLO Cc1[nH+]cnc(NCCCc2nncn2C)c1C ZINC000882390158 591341663 /nfs/dbraw/zinc/34/16/63/591341663.db2.gz HRCFLBVTUGERRV-UHFFFAOYSA-N 1 2 246.318 1.267 20 0 BDADLO Cc1cnc(CCNc2nc[nH+]c(C)c2C)cn1 ZINC000882436244 591348554 /nfs/dbraw/zinc/34/85/54/591348554.db2.gz VHWQJYUSKIQAHK-UHFFFAOYSA-N 1 2 243.314 1.846 20 0 BDADLO Cc1ccnc(CNc2nc[nH+]c(C)c2C)n1 ZINC000882468884 591353174 /nfs/dbraw/zinc/35/31/74/591353174.db2.gz IRKLJRYXAGPJIX-UHFFFAOYSA-N 1 2 229.287 1.804 20 0 BDADLO Cc1cc(NCc2cc3n(n2)CCC3)nc[nH+]1 ZINC000882608951 591398271 /nfs/dbraw/zinc/39/82/71/591398271.db2.gz MMAGBIYFNAFYIU-UHFFFAOYSA-N 1 2 229.287 1.540 20 0 BDADLO CC(C)(Nc1nccnc1F)c1[nH]cc[nH+]1 ZINC000882626566 591402374 /nfs/dbraw/zinc/40/23/74/591402374.db2.gz LNKLPKXQWQACKG-UHFFFAOYSA-N 1 2 221.239 1.686 20 0 BDADLO CC(C)(Nc1cc(F)ncn1)c1[nH]cc[nH+]1 ZINC000882626407 591402692 /nfs/dbraw/zinc/40/26/92/591402692.db2.gz FXLOYEODBIJNFO-UHFFFAOYSA-N 1 2 221.239 1.686 20 0 BDADLO CCn1nncc1CNc1nc[nH+]c(C)c1C ZINC000882649305 591407131 /nfs/dbraw/zinc/40/71/31/591407131.db2.gz NVBOKOJMBCRSQM-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@H](O)C(F)F)c1C ZINC000882680015 591410111 /nfs/dbraw/zinc/41/01/11/591410111.db2.gz JBUHZRLDJZEFRO-MRVPVSSYSA-N 1 2 231.246 1.521 20 0 BDADLO O=C1OCC[C@@H]1CCCNc1cc[nH+]cc1F ZINC000882715455 591419265 /nfs/dbraw/zinc/41/92/65/591419265.db2.gz CXGLIBUXRJHEEQ-VIFPVBQESA-N 1 2 238.262 1.398 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CC23CCC3)c1 ZINC000882720380 591420873 /nfs/dbraw/zinc/42/08/73/591420873.db2.gz UZMRKEYEBFOLLG-SNVBAGLBSA-N 1 2 204.273 1.928 20 0 BDADLO Cc1nc(N2CCC[C@@H](CF)C2)cc[nH+]1 ZINC000882801697 591443911 /nfs/dbraw/zinc/44/39/11/591443911.db2.gz ZFEPEXCCGROUQI-JTQLQIEISA-N 1 2 209.268 1.971 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000130351322 591458775 /nfs/dbraw/zinc/45/87/75/591458775.db2.gz SUTHLVDDWWBCAT-JOYOIKCWSA-N 1 2 249.314 1.913 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000130351144 591459121 /nfs/dbraw/zinc/45/91/21/591459121.db2.gz SUTHLVDDWWBCAT-SKDRFNHKSA-N 1 2 249.314 1.913 20 0 BDADLO COC[C@@H]1CCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000213305720 591459968 /nfs/dbraw/zinc/45/99/68/591459968.db2.gz HBENPYVDLSEYLT-GHMZBOCLSA-N 1 2 236.315 1.608 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882880993 591462313 /nfs/dbraw/zinc/46/23/13/591462313.db2.gz SJCHIUHHQOVDMX-UHFFFAOYSA-N 1 2 238.335 1.147 20 0 BDADLO NC(CO)=[NH+]OC[C@H]1CCCCC1(F)F ZINC000883012448 591512182 /nfs/dbraw/zinc/51/21/82/591512182.db2.gz GRLYUAKBLZICIH-SSDOTTSWSA-N 1 2 222.235 1.303 20 0 BDADLO CCc1ccc(CCO[NH+]=C(N)CO)cc1 ZINC000883012735 591512377 /nfs/dbraw/zinc/51/23/77/591512377.db2.gz QSVCFKSOGMVEQR-UHFFFAOYSA-N 1 2 222.288 1.282 20 0 BDADLO C[C@@H]1CCC[C@H](CCO[NH+]=C(N)CO)C1 ZINC000883012120 591513372 /nfs/dbraw/zinc/51/33/72/591513372.db2.gz ULHWRLPKRYDOME-NXEZZACHSA-N 1 2 214.309 1.694 20 0 BDADLO CC(C)(C)SCCCO[NH+]=C(N)CO ZINC000883013487 591514402 /nfs/dbraw/zinc/51/44/02/591514402.db2.gz PJXXTXSHOCOVJO-UHFFFAOYSA-N 1 2 220.338 1.399 20 0 BDADLO CC[C@@H](O[NH+]=C(N)c1ccccc1C)C(N)=O ZINC000883059198 591532007 /nfs/dbraw/zinc/53/20/07/591532007.db2.gz OHKPDBRHVBTRAY-SNVBAGLBSA-N 1 2 235.287 1.105 20 0 BDADLO Cc1c(C[NH2+]Cc2nc(C(C)C)c[nH]2)cnn1C ZINC000883076516 591535225 /nfs/dbraw/zinc/53/52/25/591535225.db2.gz FYDWFPJHSLQCSK-UHFFFAOYSA-N 1 2 247.346 1.865 20 0 BDADLO CC(C)CC[N@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000131036527 591542335 /nfs/dbraw/zinc/54/23/35/591542335.db2.gz CENHWCABMAFRQM-UHFFFAOYSA-N 1 2 238.335 1.050 20 0 BDADLO CC(C)CC[N@@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000131036527 591542337 /nfs/dbraw/zinc/54/23/37/591542337.db2.gz CENHWCABMAFRQM-UHFFFAOYSA-N 1 2 238.335 1.050 20 0 BDADLO OCc1cc[nH+]c(NCc2cn(C3CC3)cn2)c1 ZINC000883147655 591552075 /nfs/dbraw/zinc/55/20/75/591552075.db2.gz CGSTZDIBKSLYJN-UHFFFAOYSA-N 1 2 244.298 1.717 20 0 BDADLO Cn1cccc1CNc1cc(CO)cc[nH+]1 ZINC000883147968 591552296 /nfs/dbraw/zinc/55/22/96/591552296.db2.gz PDANOLRNBPUOSI-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO COC[C@H](Nc1cccc[nH+]1)[C@H]1CCCOC1 ZINC000883210784 591573809 /nfs/dbraw/zinc/57/38/09/591573809.db2.gz ZKCLBIBHEZNDEP-RYUDHWBXSA-N 1 2 236.315 1.935 20 0 BDADLO Cc1c(NCc2[nH]cc(C(C)C)[nH+]2)nnn1C ZINC000883229378 591579825 /nfs/dbraw/zinc/57/98/25/591579825.db2.gz INNXHMRYIDSINN-UHFFFAOYSA-N 1 2 234.307 1.582 20 0 BDADLO Cc1cc(NCc2ncnn2C)c[nH+]c1C ZINC000883341730 591620040 /nfs/dbraw/zinc/62/00/40/591620040.db2.gz YJRAZMSZETWRMC-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1cc(NCc2cnnn2C)c[nH+]c1C ZINC000883341908 591620554 /nfs/dbraw/zinc/62/05/54/591620554.db2.gz DKJHEYAIOWRHGA-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883354094 591625210 /nfs/dbraw/zinc/62/52/10/591625210.db2.gz KOZOXNPXFWJGDI-MJBXVCDLSA-N 1 2 239.407 1.401 20 0 BDADLO CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883354094 591625214 /nfs/dbraw/zinc/62/52/14/591625214.db2.gz KOZOXNPXFWJGDI-MJBXVCDLSA-N 1 2 239.407 1.401 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000214644311 591700417 /nfs/dbraw/zinc/70/04/17/591700417.db2.gz LDEBLVJKKWVJHB-BNTAEACNSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000214644311 591700419 /nfs/dbraw/zinc/70/04/19/591700419.db2.gz LDEBLVJKKWVJHB-BNTAEACNSA-N 1 2 227.304 1.215 20 0 BDADLO Cc1noc(C[NH2+][C@@H](C)c2cncs2)n1 ZINC000133262022 591781548 /nfs/dbraw/zinc/78/15/48/591781548.db2.gz IHLDYPUXTMFYMB-LURJTMIESA-N 1 2 224.289 1.685 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(CC)nn2)CCS1 ZINC000884003199 591791890 /nfs/dbraw/zinc/79/18/90/591791890.db2.gz DUXQJMCIPXPQBA-LLVKDONJSA-N 1 2 240.376 1.625 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(CC)nn2)CCS1 ZINC000884003199 591791894 /nfs/dbraw/zinc/79/18/94/591791894.db2.gz DUXQJMCIPXPQBA-LLVKDONJSA-N 1 2 240.376 1.625 20 0 BDADLO CCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800087765 591819462 /nfs/dbraw/zinc/81/94/62/591819462.db2.gz WQLRMARZHITOQT-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800087765 591819464 /nfs/dbraw/zinc/81/94/64/591819464.db2.gz WQLRMARZHITOQT-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)CC(C)(C)C)CCO1 ZINC000800095826 591821703 /nfs/dbraw/zinc/82/17/03/591821703.db2.gz PHFQQMRPKQERAM-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)CC(C)(C)C)CCO1 ZINC000800095826 591821707 /nfs/dbraw/zinc/82/17/07/591821707.db2.gz PHFQQMRPKQERAM-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)CC2CCC2)CCO1 ZINC000800174799 591831135 /nfs/dbraw/zinc/83/11/35/591831135.db2.gz DZVOXHJVAHBKOR-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)CC2CCC2)CCO1 ZINC000800174799 591831136 /nfs/dbraw/zinc/83/11/36/591831136.db2.gz DZVOXHJVAHBKOR-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)/C=C/C2CC2)CCO1 ZINC000800176137 591831182 /nfs/dbraw/zinc/83/11/82/591831182.db2.gz YKYVGLRIWSOVPS-SGUJLRQBSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)/C=C/C2CC2)CCO1 ZINC000800176137 591831184 /nfs/dbraw/zinc/83/11/84/591831184.db2.gz YKYVGLRIWSOVPS-SGUJLRQBSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H](C(=O)OCC[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000800176521 591832980 /nfs/dbraw/zinc/83/29/80/591832980.db2.gz IVARUZRAYTXQAN-WDEREUQCSA-N 1 2 241.331 1.296 20 0 BDADLO C[C@@H](C(=O)OCC[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000800176521 591832983 /nfs/dbraw/zinc/83/29/83/591832983.db2.gz IVARUZRAYTXQAN-WDEREUQCSA-N 1 2 241.331 1.296 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000800188145 591835276 /nfs/dbraw/zinc/83/52/76/591835276.db2.gz ZJWAILSWPLUVTE-MNOVXSKESA-N 1 2 241.331 1.296 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000800188145 591835279 /nfs/dbraw/zinc/83/52/79/591835279.db2.gz ZJWAILSWPLUVTE-MNOVXSKESA-N 1 2 241.331 1.296 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)C(F)F ZINC000800217760 591842019 /nfs/dbraw/zinc/84/20/19/591842019.db2.gz HTGGNYJFLDPUNV-HTQZYQBOSA-N 1 2 249.257 1.237 20 0 BDADLO CCCNc1cc(N[C@H](C)CCO)nc[nH+]1 ZINC000134281501 591911544 /nfs/dbraw/zinc/91/15/44/591911544.db2.gz NQAXOHXQXJUNDG-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(N[C@H](C)CCO)[nH+]cn1 ZINC000134281501 591911548 /nfs/dbraw/zinc/91/15/48/591911548.db2.gz NQAXOHXQXJUNDG-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1CCC=CCC1 ZINC000884358684 591912529 /nfs/dbraw/zinc/91/25/29/591912529.db2.gz VUQIKAULLOSXCS-UHFFFAOYSA-N 1 2 248.330 1.718 20 0 BDADLO CN(CCCF)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000884381003 591921435 /nfs/dbraw/zinc/92/14/35/591921435.db2.gz RXVUBHQNBAZTHI-VIFPVBQESA-N 1 2 240.282 1.329 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000134554905 591936150 /nfs/dbraw/zinc/93/61/50/591936150.db2.gz QHLOXIRGOANGGA-GXSJLCMTSA-N 1 2 225.336 1.776 20 0 BDADLO CCc1nc(N[C@H]2CCN(CC)C2=O)cc[nH+]1 ZINC000884499654 591957699 /nfs/dbraw/zinc/95/76/99/591957699.db2.gz JRCRJZCDNVFBEC-VIFPVBQESA-N 1 2 234.303 1.072 20 0 BDADLO CCc1nc(NCc2cc(C)nn2C)cc[nH+]1 ZINC000884500180 591958074 /nfs/dbraw/zinc/95/80/74/591958074.db2.gz YTRWGLHUMWYNRU-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO CCc1nc(N[C@H](C)c2nnc(C)[nH]2)cc[nH+]1 ZINC000884507958 591960202 /nfs/dbraw/zinc/96/02/02/591960202.db2.gz QKJDYCDSOORMPW-SSDOTTSWSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1nc(N2CCC[C@H](O)CC2)cc[nH+]1 ZINC000884517375 591964023 /nfs/dbraw/zinc/96/40/23/591964023.db2.gz LQGURUFWLBKHED-JTQLQIEISA-N 1 2 221.304 1.390 20 0 BDADLO CCc1nc(N[C@@H](CC)[C@H](C)O)cc[nH+]1 ZINC000884522217 591965279 /nfs/dbraw/zinc/96/52/79/591965279.db2.gz RVHCRNLOTQRBDU-IUCAKERBSA-N 1 2 209.293 1.610 20 0 BDADLO CCc1nc(NCCC2(CO)CC2)cc[nH+]1 ZINC000884523026 591965698 /nfs/dbraw/zinc/96/56/98/591965698.db2.gz NYKWLTNYCHVGEG-UHFFFAOYSA-N 1 2 221.304 1.614 20 0 BDADLO CCc1nc(N2CC[C@@H]3OCC[C@@H]3C2)cc[nH+]1 ZINC000884541763 591972688 /nfs/dbraw/zinc/97/26/88/591972688.db2.gz NCJUZDSYGYEGHS-MNOVXSKESA-N 1 2 233.315 1.654 20 0 BDADLO CCc1nc(N[C@@H](C)c2nccc(N)n2)cc[nH+]1 ZINC000884552303 591976339 /nfs/dbraw/zinc/97/63/39/591976339.db2.gz XJMOIAXLJBVEBS-QMMMGPOBSA-N 1 2 244.302 1.584 20 0 BDADLO CCc1nc(N2C[C@H]3COC[C@]3(C)C2)cc[nH+]1 ZINC000884556980 591978026 /nfs/dbraw/zinc/97/80/26/591978026.db2.gz DWIBIJAAKKEULY-GWCFXTLKSA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000884556461 591978452 /nfs/dbraw/zinc/97/84/52/591978452.db2.gz QUNRUURCFZOZOV-IWIIMEHWSA-N 1 2 235.331 1.492 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@@H]2C[C@@H]2C1 ZINC000884591001 591989932 /nfs/dbraw/zinc/98/99/32/591989932.db2.gz JXSCVCASVXEIHH-DTORHVGOSA-N 1 2 205.261 1.250 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@]23C[C@H]2COC3)[nH+]1 ZINC000884600498 591992665 /nfs/dbraw/zinc/99/26/65/591992665.db2.gz FBGLJHFRIDVSKF-UFBFGSQYSA-N 1 2 230.271 1.467 20 0 BDADLO CCc1nc(N2CC[C@@]3(CO)CCC[C@@H]23)cc[nH+]1 ZINC000884664537 592007469 /nfs/dbraw/zinc/00/74/69/592007469.db2.gz OMGMLBQAUOZDLB-BXUZGUMPSA-N 1 2 247.342 1.780 20 0 BDADLO Cc1cc(N2CC[C@H]([C@@H]3CCCO3)C2)nc[nH+]1 ZINC000884730705 592015952 /nfs/dbraw/zinc/01/59/52/592015952.db2.gz MNJOOYUGFSKROZ-RYUDHWBXSA-N 1 2 233.315 1.790 20 0 BDADLO CN(CCCF)c1[nH+]cnc2c1cnn2C ZINC000884855554 592025220 /nfs/dbraw/zinc/02/52/20/592025220.db2.gz KEOXDBTWLBKNMX-UHFFFAOYSA-N 1 2 223.255 1.159 20 0 BDADLO C[C@H](CC(=O)N1CCCC(=O)[C@@H]1C)n1cc[nH+]c1 ZINC000885059636 592042931 /nfs/dbraw/zinc/04/29/31/592042931.db2.gz WXJGQQBMYFLNFC-MNOVXSKESA-N 1 2 249.314 1.414 20 0 BDADLO C[C@@H]1CCC(=O)CN1C(=O)CCCn1cc[nH+]c1 ZINC000885090533 592050922 /nfs/dbraw/zinc/05/09/22/592050922.db2.gz AKJRUVIOJIWPTC-LLVKDONJSA-N 1 2 249.314 1.243 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)OCCOC ZINC000885216063 592058455 /nfs/dbraw/zinc/05/84/55/592058455.db2.gz CUDBXSVGFPJRTD-VIFPVBQESA-N 1 2 241.291 1.337 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000885985604 592119845 /nfs/dbraw/zinc/11/98/45/592119845.db2.gz LTTPCOGLEGWVPJ-PWSUYJOCSA-N 1 2 249.301 1.627 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000885985604 592119846 /nfs/dbraw/zinc/11/98/46/592119846.db2.gz LTTPCOGLEGWVPJ-PWSUYJOCSA-N 1 2 249.301 1.627 20 0 BDADLO O=S1CC[NH+](CCOC2CCCCC2)CC1 ZINC000886006046 592128287 /nfs/dbraw/zinc/12/82/87/592128287.db2.gz MVMHEDUTWCQMEU-UHFFFAOYSA-N 1 2 245.388 1.400 20 0 BDADLO Cc1coc(C[NH2+]Cc2cc(C(N)=O)co2)c1 ZINC000886072331 592143090 /nfs/dbraw/zinc/14/30/90/592143090.db2.gz DBPWFTPMKAGMSA-UHFFFAOYSA-N 1 2 234.255 1.570 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]C[C@](C)(O)C(F)F)n1 ZINC000886129668 592159901 /nfs/dbraw/zinc/15/99/01/592159901.db2.gz KVKNXSPOMYLYMM-ANLVUFKYSA-N 1 2 235.234 1.045 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H](C)c2csnn2)c1C ZINC000886147498 592163356 /nfs/dbraw/zinc/16/33/56/592163356.db2.gz USSOJVQWWJBHKI-QMMMGPOBSA-N 1 2 237.332 1.729 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CCOC1=O ZINC000886210909 592177714 /nfs/dbraw/zinc/17/77/14/592177714.db2.gz FBSWZOHQHBUQKM-LOWVWBTDSA-N 1 2 239.315 1.239 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncco2)n(C)n1 ZINC000886272289 592192516 /nfs/dbraw/zinc/19/25/16/592192516.db2.gz LVFWESWMBAWMKF-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1ncco1 ZINC000886274311 592194883 /nfs/dbraw/zinc/19/48/83/592194883.db2.gz QDZLDGJFJLJMDR-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000886278561 592197146 /nfs/dbraw/zinc/19/71/46/592197146.db2.gz CQNUQVFAVUTWLO-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000886278561 592197147 /nfs/dbraw/zinc/19/71/47/592197147.db2.gz CQNUQVFAVUTWLO-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000886278561 592197148 /nfs/dbraw/zinc/19/71/48/592197148.db2.gz CQNUQVFAVUTWLO-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000886278561 592197149 /nfs/dbraw/zinc/19/71/49/592197149.db2.gz CQNUQVFAVUTWLO-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)[nH]n1 ZINC000886288766 592200756 /nfs/dbraw/zinc/20/07/56/592200756.db2.gz GYZGOERHHKVMLB-NSHDSACASA-N 1 2 221.304 1.459 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347835 592214105 /nfs/dbraw/zinc/21/41/05/592214105.db2.gz AHDGLYWGTXYVJU-LYFYHCNISA-N 1 2 239.710 1.120 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347835 592214106 /nfs/dbraw/zinc/21/41/06/592214106.db2.gz AHDGLYWGTXYVJU-LYFYHCNISA-N 1 2 239.710 1.120 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2ncco2)ccn1 ZINC000886536271 592250785 /nfs/dbraw/zinc/25/07/85/592250785.db2.gz FBQUGCFCFAYYBK-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ncco1 ZINC000886539419 592254314 /nfs/dbraw/zinc/25/43/14/592254314.db2.gz ZDLGCAVVQWLCEW-SVRRBLITSA-N 1 2 238.209 1.639 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886676551 592299695 /nfs/dbraw/zinc/29/96/95/592299695.db2.gz IYQGVCCWLFNYMV-QWRGUYRKSA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886676551 592299696 /nfs/dbraw/zinc/29/96/96/592299696.db2.gz IYQGVCCWLFNYMV-QWRGUYRKSA-N 1 2 249.314 1.218 20 0 BDADLO CC[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886961779 592402029 /nfs/dbraw/zinc/40/20/29/592402029.db2.gz XLEDOCDRXCYXEH-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCCF ZINC000886951190 592401085 /nfs/dbraw/zinc/40/10/85/592401085.db2.gz YFQWFPYPKIIDBM-VHSXEESVSA-N 1 2 233.283 1.046 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCF)o1 ZINC000887136348 592450971 /nfs/dbraw/zinc/45/09/71/592450971.db2.gz QUALHQJRHLPCMT-UHFFFAOYSA-N 1 2 201.245 1.423 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCF)o1 ZINC000887136348 592450975 /nfs/dbraw/zinc/45/09/75/592450975.db2.gz QUALHQJRHLPCMT-UHFFFAOYSA-N 1 2 201.245 1.423 20 0 BDADLO COC(=O)c1coc([C@@H](C)[N@H+](C)CCCF)n1 ZINC000887142567 592460073 /nfs/dbraw/zinc/46/00/73/592460073.db2.gz QDJGXEKJXPEQJM-MRVPVSSYSA-N 1 2 244.266 1.814 20 0 BDADLO COC(=O)c1coc([C@@H](C)[N@@H+](C)CCCF)n1 ZINC000887142567 592460074 /nfs/dbraw/zinc/46/00/74/592460074.db2.gz QDJGXEKJXPEQJM-MRVPVSSYSA-N 1 2 244.266 1.814 20 0 BDADLO CCc1cnc(NC(=O)/C=C\c2cn(C)c[nH+]2)o1 ZINC000887233784 592468147 /nfs/dbraw/zinc/46/81/47/592468147.db2.gz CZHUDUZNLZBGBY-PLNGDYQASA-N 1 2 246.270 1.622 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)o1 ZINC000887237150 592469602 /nfs/dbraw/zinc/46/96/02/592469602.db2.gz JGGUDKFVFPIEGF-NSHDSACASA-N 1 2 249.314 1.802 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)o1 ZINC000887237150 592469604 /nfs/dbraw/zinc/46/96/04/592469604.db2.gz JGGUDKFVFPIEGF-NSHDSACASA-N 1 2 249.314 1.802 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329739 592481671 /nfs/dbraw/zinc/48/16/71/592481671.db2.gz OBZSJUXDJMKFGE-PTEHBNRSSA-N 1 2 222.332 1.735 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329739 592481674 /nfs/dbraw/zinc/48/16/74/592481674.db2.gz OBZSJUXDJMKFGE-PTEHBNRSSA-N 1 2 222.332 1.735 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC(C)(C)C1CC1 ZINC000887375425 592497186 /nfs/dbraw/zinc/49/71/86/592497186.db2.gz QGZMCAMXULTDSQ-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000887472141 592511914 /nfs/dbraw/zinc/51/19/14/592511914.db2.gz SQLMNYOHFBHKHI-VXGBXAGGSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000887472141 592511916 /nfs/dbraw/zinc/51/19/16/592511916.db2.gz SQLMNYOHFBHKHI-VXGBXAGGSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@@H](C3CC3)O2)c[nH+]1 ZINC000887489562 592514207 /nfs/dbraw/zinc/51/42/07/592514207.db2.gz CJSCQDBPMFXYPT-PWSUYJOCSA-N 1 2 249.314 1.406 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000300890024 592523730 /nfs/dbraw/zinc/52/37/30/592523730.db2.gz UDUHDDCRUJELJY-MNOVXSKESA-N 1 2 229.320 1.344 20 0 BDADLO CCc1nc(N2CC(O)(C(C)C)C2)cc(C)[nH+]1 ZINC000302493688 592548452 /nfs/dbraw/zinc/54/84/52/592548452.db2.gz JNZWDFUMSBCKOI-UHFFFAOYSA-N 1 2 235.331 1.555 20 0 BDADLO Cc1cc(C)nc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000302458112 592548679 /nfs/dbraw/zinc/54/86/79/592548679.db2.gz PKQYNXAOOSLBGD-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccnn1C1CC1 ZINC000889688274 592644816 /nfs/dbraw/zinc/64/48/16/592644816.db2.gz ALEJOTBIUCXPDX-UHFFFAOYSA-N 1 2 245.286 1.443 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107581 592675383 /nfs/dbraw/zinc/67/53/83/592675383.db2.gz MCYOJKDSFGDWHN-SECBINFHSA-N 1 2 213.256 1.030 20 0 BDADLO CSC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103470 592680477 /nfs/dbraw/zinc/68/04/77/592680477.db2.gz LTUIHYWTQUDBEF-UHFFFAOYSA-N 1 2 227.333 1.178 20 0 BDADLO CCCc1nc(C(=O)NCc2cn(C)c[nH+]2)co1 ZINC000890109198 592682620 /nfs/dbraw/zinc/68/26/20/592682620.db2.gz GEKLOTALAZYHIV-UHFFFAOYSA-N 1 2 248.286 1.291 20 0 BDADLO Cc1nscc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109195 592682941 /nfs/dbraw/zinc/68/29/41/592682941.db2.gz GCMAWDUQHKANPJ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)C(C)(F)F ZINC000890108102 592682964 /nfs/dbraw/zinc/68/29/64/592682964.db2.gz UMPAWVCNHYVLOK-SSDOTTSWSA-N 1 2 231.246 1.328 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2=CCCCC2)c1 ZINC000890108172 592683296 /nfs/dbraw/zinc/68/32/96/592683296.db2.gz VAQVNYDYWDEBMS-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO COCCC[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109784 592684050 /nfs/dbraw/zinc/68/40/50/592684050.db2.gz SIBNGQYMTZFUOC-SNVBAGLBSA-N 1 2 239.319 1.099 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890113965 592684223 /nfs/dbraw/zinc/68/42/23/592684223.db2.gz RRNCSHMSPYDXBI-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110815 592684624 /nfs/dbraw/zinc/68/46/24/592684624.db2.gz WBDQQAKKPMWLSA-CHPNCVJKSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114447 592685286 /nfs/dbraw/zinc/68/52/86/592685286.db2.gz LOLYMZDERLYTLX-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO Cc1ccc(C)c(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890119244 592685449 /nfs/dbraw/zinc/68/54/49/592685449.db2.gz DGDKDRZYJICOCK-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CCCCn1cc[nH+]c1 ZINC000045107117 598215297 /nfs/dbraw/zinc/21/52/97/598215297.db2.gz RWIZNQZLBFLCQB-SNVBAGLBSA-N 1 2 225.292 1.116 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]1C1CCCC1 ZINC000889401126 635422923 /nfs/dbraw/zinc/42/29/23/635422923.db2.gz ZBJVTIPJGMTQJD-LBPRGKRZSA-N 1 2 233.315 1.674 20 0 BDADLO CC[C@H](CO)Nc1cc(NCCF)[nH+]cn1 ZINC000893660003 635427272 /nfs/dbraw/zinc/42/72/72/635427272.db2.gz QMFUJLRKMCEMKX-MRVPVSSYSA-N 1 2 228.271 1.041 20 0 BDADLO CC[C@H](CO)Nc1cc(NCCF)nc[nH+]1 ZINC000893660003 635427281 /nfs/dbraw/zinc/42/72/81/635427281.db2.gz QMFUJLRKMCEMKX-MRVPVSSYSA-N 1 2 228.271 1.041 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000982065031 635486114 /nfs/dbraw/zinc/48/61/14/635486114.db2.gz NNELVVGXRBKDNG-GFCCVEGCSA-N 1 2 244.354 1.782 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000982065031 635486120 /nfs/dbraw/zinc/48/61/20/635486120.db2.gz NNELVVGXRBKDNG-GFCCVEGCSA-N 1 2 244.354 1.782 20 0 BDADLO CC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891434714 631247302 /nfs/dbraw/zinc/24/73/02/631247302.db2.gz XYTJIJYNOIJPHT-UHFFFAOYSA-N 1 2 216.288 1.966 20 0 BDADLO COC[C@H]1COCC[N@@H+]1CCOCC(C)C ZINC000933331342 631263114 /nfs/dbraw/zinc/26/31/14/631263114.db2.gz MDPNCEUCBVBWOJ-LBPRGKRZSA-N 1 2 231.336 1.006 20 0 BDADLO COC[C@H]1COCC[N@H+]1CCOCC(C)C ZINC000933331342 631263117 /nfs/dbraw/zinc/26/31/17/631263117.db2.gz MDPNCEUCBVBWOJ-LBPRGKRZSA-N 1 2 231.336 1.006 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308379152 631313780 /nfs/dbraw/zinc/31/37/80/631313780.db2.gz RCCBAXVPVVOYTD-MRVPVSSYSA-N 1 2 239.344 1.279 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308422286 631329950 /nfs/dbraw/zinc/32/99/50/631329950.db2.gz OOVALAXQJVSKLY-OPRDCNLKSA-N 1 2 227.304 1.095 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)SC)n1 ZINC000308736377 631359846 /nfs/dbraw/zinc/35/98/46/631359846.db2.gz LPYVTDFXXLXJFM-ZCFIWIBFSA-N 1 2 201.295 1.603 20 0 BDADLO CNc1cc(N2CCCO[C@@H](C)C2)nc[nH+]1 ZINC000087828814 631483742 /nfs/dbraw/zinc/48/37/42/631483742.db2.gz YIJMGNACXUSVMC-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N2CCCO[C@@H](C)C2)[nH+]cn1 ZINC000087828814 631483745 /nfs/dbraw/zinc/48/37/45/631483745.db2.gz YIJMGNACXUSVMC-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO Cc1conc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933894499 631545706 /nfs/dbraw/zinc/54/57/06/631545706.db2.gz BLPFVXOAZISBPA-LLVKDONJSA-N 1 2 238.287 1.320 20 0 BDADLO Cc1conc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933894499 631545709 /nfs/dbraw/zinc/54/57/09/631545709.db2.gz BLPFVXOAZISBPA-LLVKDONJSA-N 1 2 238.287 1.320 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]2CO)c1C ZINC000934026700 631604029 /nfs/dbraw/zinc/60/40/29/631604029.db2.gz POYJSSIJORKPIC-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]2CO)c1C ZINC000934026700 631604030 /nfs/dbraw/zinc/60/40/30/631604030.db2.gz POYJSSIJORKPIC-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]2CO)sc1C ZINC000934020219 631621630 /nfs/dbraw/zinc/62/16/30/631621630.db2.gz YGPCGNRQOJJDKU-VIFPVBQESA-N 1 2 212.318 1.327 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]2CO)sc1C ZINC000934020219 631621635 /nfs/dbraw/zinc/62/16/35/631621635.db2.gz YGPCGNRQOJJDKU-VIFPVBQESA-N 1 2 212.318 1.327 20 0 BDADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934029279 631628351 /nfs/dbraw/zinc/62/83/51/631628351.db2.gz YOEQPVXWLGFNPK-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934029279 631628355 /nfs/dbraw/zinc/62/83/55/631628355.db2.gz YOEQPVXWLGFNPK-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H]1CO ZINC000934028591 631628816 /nfs/dbraw/zinc/62/88/16/631628816.db2.gz YTEHYHQQECRCAK-NSHDSACASA-N 1 2 234.299 1.000 20 0 BDADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@H]1CO ZINC000934028591 631628820 /nfs/dbraw/zinc/62/88/20/631628820.db2.gz YTEHYHQQECRCAK-NSHDSACASA-N 1 2 234.299 1.000 20 0 BDADLO CCN(C(=O)C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934029347 631630083 /nfs/dbraw/zinc/63/00/83/631630083.db2.gz SZVYQKHFSWKNFF-ZDUSSCGKSA-N 1 2 248.326 1.106 20 0 BDADLO CCN(C(=O)C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934029347 631630086 /nfs/dbraw/zinc/63/00/86/631630086.db2.gz SZVYQKHFSWKNFF-ZDUSSCGKSA-N 1 2 248.326 1.106 20 0 BDADLO C[C@@H](O)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934038785 631636468 /nfs/dbraw/zinc/63/64/68/631636468.db2.gz GJBNCLUXJDXQDN-SECBINFHSA-N 1 2 247.298 1.406 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)[C@H]2CC[C@@H]2OC)[nH]1 ZINC000934110272 631684794 /nfs/dbraw/zinc/68/47/94/631684794.db2.gz XJZAEUIICDHYIB-GUBZILKMSA-N 1 2 238.335 1.537 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)[C@H]2CC[C@@H]2OC)[nH]1 ZINC000934110272 631684796 /nfs/dbraw/zinc/68/47/96/631684796.db2.gz XJZAEUIICDHYIB-GUBZILKMSA-N 1 2 238.335 1.537 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124369 631700917 /nfs/dbraw/zinc/70/09/17/631700917.db2.gz HNIYFPUWMJUQFE-UWVGGRQHSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124369 631700922 /nfs/dbraw/zinc/70/09/22/631700922.db2.gz HNIYFPUWMJUQFE-UWVGGRQHSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124371 631703634 /nfs/dbraw/zinc/70/36/34/631703634.db2.gz HNIYFPUWMJUQFE-ZJUUUORDSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124371 631703641 /nfs/dbraw/zinc/70/36/41/631703641.db2.gz HNIYFPUWMJUQFE-ZJUUUORDSA-N 1 2 237.303 1.556 20 0 BDADLO c1n[nH]c2c1[C@@H]([NH2+][C@@H]1CCOC1)CCC2 ZINC000308996226 631783926 /nfs/dbraw/zinc/78/39/26/631783926.db2.gz MROGHAXSQPWMCH-SCZZXKLOSA-N 1 2 207.277 1.166 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC(C)(C)C1 ZINC000309051725 631827055 /nfs/dbraw/zinc/82/70/55/631827055.db2.gz YXSCURYTLSSNIE-WAYWQWQTSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC(C)(C)C1 ZINC000309051725 631827059 /nfs/dbraw/zinc/82/70/59/631827059.db2.gz YXSCURYTLSSNIE-WAYWQWQTSA-N 1 2 227.304 1.217 20 0 BDADLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1ccno1 ZINC000934477664 631870598 /nfs/dbraw/zinc/87/05/98/631870598.db2.gz LZWCWGBNERPOIW-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccno1 ZINC000934477664 631870600 /nfs/dbraw/zinc/87/06/00/631870600.db2.gz LZWCWGBNERPOIW-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)ncn1 ZINC000934478049 631871398 /nfs/dbraw/zinc/87/13/98/631871398.db2.gz IYQJCXAFNFFNJX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@]2(C)C2CC2)ncn1 ZINC000934478049 631871402 /nfs/dbraw/zinc/87/14/02/631871402.db2.gz IYQJCXAFNFFNJX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO COc1ccc(C=O)cc1OCc1c[nH+]cn1C ZINC000091278541 631878603 /nfs/dbraw/zinc/87/86/03/631878603.db2.gz IKJLFPAWUHLCIK-UHFFFAOYSA-N 1 2 246.266 1.820 20 0 BDADLO CC[N@H+](C/C=C/Cl)CC(=O)N(C)C ZINC000051791311 631917690 /nfs/dbraw/zinc/91/76/90/631917690.db2.gz HCQXVXWSKFSEHT-AATRIKPKSA-N 1 2 204.701 1.149 20 0 BDADLO CC[N@@H+](C/C=C/Cl)CC(=O)N(C)C ZINC000051791311 631917696 /nfs/dbraw/zinc/91/76/96/631917696.db2.gz HCQXVXWSKFSEHT-AATRIKPKSA-N 1 2 204.701 1.149 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934562159 631923624 /nfs/dbraw/zinc/92/36/24/631923624.db2.gz YHGPQXZBWYULIU-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934562159 631923630 /nfs/dbraw/zinc/92/36/30/631923630.db2.gz YHGPQXZBWYULIU-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cs1 ZINC000934562720 631925209 /nfs/dbraw/zinc/92/52/09/631925209.db2.gz BCPPXZMPZYTWTK-QWRGUYRKSA-N 1 2 229.320 1.961 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cs1 ZINC000934562720 631925213 /nfs/dbraw/zinc/92/52/13/631925213.db2.gz BCPPXZMPZYTWTK-QWRGUYRKSA-N 1 2 229.320 1.961 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cccc(OC)c2)n1 ZINC000051860761 631971277 /nfs/dbraw/zinc/97/12/77/631971277.db2.gz NZMDAZWLHSENCH-UHFFFAOYSA-N 1 2 247.298 1.779 20 0 BDADLO CCC[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934774211 632067739 /nfs/dbraw/zinc/06/77/39/632067739.db2.gz WPGASPGBIRQEJO-SNVBAGLBSA-N 1 2 247.298 1.454 20 0 BDADLO CCO[C@@H]1CCC[C@H]1Nc1cc(NC)[nH+]cn1 ZINC000894125396 635694011 /nfs/dbraw/zinc/69/40/11/635694011.db2.gz VBPNFZSSUXCEBI-NXEZZACHSA-N 1 2 236.319 1.888 20 0 BDADLO CCO[C@@H]1CCC[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000894125396 635694015 /nfs/dbraw/zinc/69/40/15/635694015.db2.gz VBPNFZSSUXCEBI-NXEZZACHSA-N 1 2 236.319 1.888 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000126276545 632118678 /nfs/dbraw/zinc/11/86/78/632118678.db2.gz BNPWFUWFOPPLRY-ZMLRMANQSA-N 1 2 243.347 1.589 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CCCCC1 ZINC000130967714 632450671 /nfs/dbraw/zinc/45/06/71/632450671.db2.gz APJANFUYUUJLHJ-UHFFFAOYSA-N 1 2 236.319 1.469 20 0 BDADLO CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162176827 632531995 /nfs/dbraw/zinc/53/19/95/632531995.db2.gz ABEDOFXZLYJTDY-UHFFFAOYSA-N 1 2 222.292 1.597 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ncc[nH]1 ZINC000926561912 632551595 /nfs/dbraw/zinc/55/15/95/632551595.db2.gz BZKZUPFWKVHMTL-HBNTYKKESA-N 1 2 248.330 1.214 20 0 BDADLO CCc1nc(N2CC[C@H](O)C2(C)C)cc(C)[nH+]1 ZINC000310134148 632701836 /nfs/dbraw/zinc/70/18/36/632701836.db2.gz BNBZHVOTMGNKJN-JTQLQIEISA-N 1 2 235.331 1.697 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1CCC1 ZINC000179514239 632740591 /nfs/dbraw/zinc/74/05/91/632740591.db2.gz XGFHAVRCSPVGEK-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO CCc1cccnc1-c1noc([C@@H]([NH3+])COC)n1 ZINC000157317695 632903296 /nfs/dbraw/zinc/90/32/96/632903296.db2.gz GLCFEOZRBVQJQF-VIFPVBQESA-N 1 2 248.286 1.340 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1O ZINC000249113725 633006955 /nfs/dbraw/zinc/00/69/55/633006955.db2.gz CVOMLUILSVJDKK-IONNQARKSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1O ZINC000249113725 633006957 /nfs/dbraw/zinc/00/69/57/633006957.db2.gz CVOMLUILSVJDKK-IONNQARKSA-N 1 2 246.763 1.999 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCSC1 ZINC000162752605 633037394 /nfs/dbraw/zinc/03/73/94/633037394.db2.gz DCRAHZMNSUSNDV-MNOVXSKESA-N 1 2 243.372 1.910 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCSC1 ZINC000162752605 633037397 /nfs/dbraw/zinc/03/73/97/633037397.db2.gz DCRAHZMNSUSNDV-MNOVXSKESA-N 1 2 243.372 1.910 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000892644904 633045179 /nfs/dbraw/zinc/04/51/79/633045179.db2.gz IDVOOGHFAGLNPH-UWVGGRQHSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000892644904 633045185 /nfs/dbraw/zinc/04/51/85/633045185.db2.gz IDVOOGHFAGLNPH-UWVGGRQHSA-N 1 2 238.335 1.362 20 0 BDADLO CN(C)c1cc(NC[C@@]2(C)CC2(F)F)[nH+]cn1 ZINC000894557629 635907998 /nfs/dbraw/zinc/90/79/98/635907998.db2.gz HUBRQZUGOFVNAQ-SNVBAGLBSA-N 1 2 242.273 2.000 20 0 BDADLO CN(C)c1cc(NC[C@@]2(C)CC2(F)F)nc[nH+]1 ZINC000894557629 635908001 /nfs/dbraw/zinc/90/80/01/635908001.db2.gz HUBRQZUGOFVNAQ-SNVBAGLBSA-N 1 2 242.273 2.000 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000892675350 633088326 /nfs/dbraw/zinc/08/83/26/633088326.db2.gz ABCUCVULXFMNHC-SSDOTTSWSA-N 1 2 212.249 1.024 20 0 BDADLO C[C@H]([NH2+]CCC(C)(C)O)C(=O)OC(C)(C)C ZINC000309464080 633101298 /nfs/dbraw/zinc/10/12/98/633101298.db2.gz SJBYETWZVYOGIP-VIFPVBQESA-N 1 2 231.336 1.467 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000892775468 633224736 /nfs/dbraw/zinc/22/47/36/633224736.db2.gz AIVPKUBQTZJOOY-JQWIXIFHSA-N 1 2 234.299 1.900 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)nn1 ZINC000307313591 635985646 /nfs/dbraw/zinc/98/56/46/635985646.db2.gz GZHSBKWOUPFPCP-CBAPKCEASA-N 1 2 227.695 1.085 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)nn1 ZINC000307313591 635985650 /nfs/dbraw/zinc/98/56/50/635985650.db2.gz GZHSBKWOUPFPCP-CBAPKCEASA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cnc(Cl)s2)C1 ZINC000307385063 635986952 /nfs/dbraw/zinc/98/69/52/635986952.db2.gz HLYQIHBMNKUVFF-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000307385063 635986957 /nfs/dbraw/zinc/98/69/57/635986957.db2.gz HLYQIHBMNKUVFF-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1C/C(Cl)=C/Cl ZINC000307681827 635993969 /nfs/dbraw/zinc/99/39/69/635993969.db2.gz QGTCNCTUWGDBTM-JZTJKMFTSA-N 1 2 210.104 1.761 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1C/C(Cl)=C/Cl ZINC000307681827 635993971 /nfs/dbraw/zinc/99/39/71/635993971.db2.gz QGTCNCTUWGDBTM-JZTJKMFTSA-N 1 2 210.104 1.761 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)on1 ZINC000925104323 636028377 /nfs/dbraw/zinc/02/83/77/636028377.db2.gz UIOWIHZXHJAGHI-MRVPVSSYSA-N 1 2 236.275 1.566 20 0 BDADLO Cc1cnccc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895118009 636064945 /nfs/dbraw/zinc/06/49/45/636064945.db2.gz FFEVCMRQFNBDND-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cnccc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895118009 636064947 /nfs/dbraw/zinc/06/49/47/636064947.db2.gz FFEVCMRQFNBDND-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO CC(C)n1cc([C@H](C)NC[C@H]2CC[N@@H+]2C)nn1 ZINC000926895191 633819179 /nfs/dbraw/zinc/81/91/79/633819179.db2.gz UHASQRDCIYSNMA-WDEREUQCSA-N 1 2 237.351 1.214 20 0 BDADLO CC(C)n1cc([C@H](C)NC[C@H]2CC[N@H+]2C)nn1 ZINC000926895191 633819184 /nfs/dbraw/zinc/81/91/84/633819184.db2.gz UHASQRDCIYSNMA-WDEREUQCSA-N 1 2 237.351 1.214 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000053174077 633877732 /nfs/dbraw/zinc/87/77/32/633877732.db2.gz KXLJEXVCXVPXTR-LPEHRKFASA-N 1 2 217.309 1.199 20 0 BDADLO COC[C@@H](OC)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000924102384 633890438 /nfs/dbraw/zinc/89/04/38/633890438.db2.gz XRUBNOMXQDRSHE-HTQZYQBOSA-N 1 2 229.280 1.026 20 0 BDADLO Nc1cc(COC(=O)c2ccc[nH]2)cc[nH+]1 ZINC000309551510 633951359 /nfs/dbraw/zinc/95/13/59/633951359.db2.gz KJLIEPXRBPZXOO-UHFFFAOYSA-N 1 2 217.228 1.349 20 0 BDADLO CNc1cc(N(C)[C@H](CO)CC(C)C)nc[nH+]1 ZINC000893245896 633968956 /nfs/dbraw/zinc/96/89/56/633968956.db2.gz JSCBOCRLFZVRON-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO CNc1cc(N(C)[C@H](CO)CC(C)C)[nH+]cn1 ZINC000893245896 633968958 /nfs/dbraw/zinc/96/89/58/633968958.db2.gz JSCBOCRLFZVRON-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO Cc1nc(NC[C@H](O)c2ccco2)cc[nH+]1 ZINC000309694389 633990537 /nfs/dbraw/zinc/99/05/37/633990537.db2.gz KRHZDPVFADTJNQ-VIFPVBQESA-N 1 2 219.244 1.524 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)co1)C1(CO)CC1 ZINC000895476400 636150128 /nfs/dbraw/zinc/15/01/28/636150128.db2.gz YBIWODMRMLSKDI-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)co1)C1(CO)CC1 ZINC000895476400 636150131 /nfs/dbraw/zinc/15/01/31/636150131.db2.gz YBIWODMRMLSKDI-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CNc1cc(NC/C=C(\C)C(=O)OC)nc[nH+]1 ZINC000895514168 636154324 /nfs/dbraw/zinc/15/43/24/636154324.db2.gz STAWXXJWGCUOAJ-XBXARRHUSA-N 1 2 236.275 1.050 20 0 BDADLO CNc1cc(NC/C=C(\C)C(=O)OC)[nH+]cn1 ZINC000895514168 636154329 /nfs/dbraw/zinc/15/43/29/636154329.db2.gz STAWXXJWGCUOAJ-XBXARRHUSA-N 1 2 236.275 1.050 20 0 BDADLO CC[C@@H]1C[C@H]1C[NH2+][C@](CC)(COC)C(=O)OC ZINC000930686733 634033712 /nfs/dbraw/zinc/03/37/12/634033712.db2.gz WRNBIIBMNDAITM-NTZNESFSSA-N 1 2 243.347 1.590 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(F)cncc1F ZINC000930748950 634085642 /nfs/dbraw/zinc/08/56/42/634085642.db2.gz CYQPFMJONLAJTK-BDAKNGLRSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c(F)cncc1F ZINC000930748950 634085647 /nfs/dbraw/zinc/08/56/47/634085647.db2.gz CYQPFMJONLAJTK-BDAKNGLRSA-N 1 2 242.269 1.705 20 0 BDADLO Cc1nc(NCCCn2cc[nH+]c2)cc(=O)[nH]1 ZINC000162629294 634238998 /nfs/dbraw/zinc/23/89/98/634238998.db2.gz FFBGNBCAMOEHEZ-UHFFFAOYSA-N 1 2 233.275 1.189 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000193735856 634288150 /nfs/dbraw/zinc/28/81/50/634288150.db2.gz HITFJUCCECRWHM-LBPRGKRZSA-N 1 2 239.315 1.707 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000193735856 634288155 /nfs/dbraw/zinc/28/81/55/634288155.db2.gz HITFJUCCECRWHM-LBPRGKRZSA-N 1 2 239.315 1.707 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094369904 635316151 /nfs/dbraw/zinc/31/61/51/635316151.db2.gz SDTTUXJMHMTHHK-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO CCc1cc(N2CC[C@@H](O)C2(C)C)nc(C)[nH+]1 ZINC000310184335 635342595 /nfs/dbraw/zinc/34/25/95/635342595.db2.gz VABBPTSDTIPYIY-LLVKDONJSA-N 1 2 235.331 1.697 20 0 BDADLO OCC1([NH2+]CC(F)(F)C(F)F)CCOCC1 ZINC000303092382 635925153 /nfs/dbraw/zinc/92/51/53/635925153.db2.gz XTGAJVSPCNAGTE-UHFFFAOYSA-N 1 2 245.216 1.018 20 0 BDADLO CCOCCOCCNc1cc[nH+]c(C)n1 ZINC000896484427 636196769 /nfs/dbraw/zinc/19/67/69/636196769.db2.gz FMDQQBRRFPTUEQ-UHFFFAOYSA-N 1 2 225.292 1.250 20 0 BDADLO Oc1ccc(SCC[NH+]2CCOCC2)cc1 ZINC000034092234 636342856 /nfs/dbraw/zinc/34/28/56/636342856.db2.gz IJENLDQRKIBEBQ-UHFFFAOYSA-N 1 2 239.340 1.817 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(C2CC2)CC1 ZINC000897363839 636470649 /nfs/dbraw/zinc/47/06/49/636470649.db2.gz SGEMTJALFJRRLV-UHFFFAOYSA-N 1 2 233.315 1.269 20 0 BDADLO C[C@H](c1nc(Cc2cccnc2)no1)[NH+](C)C ZINC000923800325 637015987 /nfs/dbraw/zinc/01/59/87/637015987.db2.gz YHPYRRWGIFFNOR-SECBINFHSA-N 1 2 232.287 1.678 20 0 BDADLO Cc1nocc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898910361 637064035 /nfs/dbraw/zinc/06/40/35/637064035.db2.gz OIKBJJBOLZQIME-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO COc1ccnc([C@@H](C)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000924746203 637068044 /nfs/dbraw/zinc/06/80/44/637068044.db2.gz FKHGDDPDPSXCRJ-NEPJUHHUSA-N 1 2 249.358 1.835 20 0 BDADLO COc1ccnc([C@@H](C)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000924746203 637068051 /nfs/dbraw/zinc/06/80/51/637068051.db2.gz FKHGDDPDPSXCRJ-NEPJUHHUSA-N 1 2 249.358 1.835 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)[C@@H](C)CO1 ZINC000900136340 637172983 /nfs/dbraw/zinc/17/29/83/637172983.db2.gz HYDZPZVGIWMFEG-WDEREUQCSA-N 1 2 249.314 1.129 20 0 BDADLO CC(C)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900143064 637174429 /nfs/dbraw/zinc/17/44/29/637174429.db2.gz AQHFTIBWGROHIH-UHFFFAOYSA-N 1 2 221.304 1.608 20 0 BDADLO CSC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900904821 637198490 /nfs/dbraw/zinc/19/84/90/637198490.db2.gz UJNRXFBCIAMYNQ-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCCC1CCC1 ZINC000901008640 637220567 /nfs/dbraw/zinc/22/05/67/637220567.db2.gz MPSXXKKSWQERLD-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(CC(C)(C)O)n1 ZINC000904267899 637394271 /nfs/dbraw/zinc/39/42/71/637394271.db2.gz AEDOWUBCZJPWJJ-UHFFFAOYSA-N 1 2 248.286 1.336 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2CCOC2)n1 ZINC000904264543 637394349 /nfs/dbraw/zinc/39/43/49/637394349.db2.gz LGPKASIFMPCXNN-QMMMGPOBSA-N 1 2 246.270 1.526 20 0 BDADLO COC/C=C/c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904264528 637395610 /nfs/dbraw/zinc/39/56/10/637395610.db2.gz KPMRJYMDKWDPBT-ONEGZZNKSA-N 1 2 246.270 1.682 20 0 BDADLO CC[NH2+]Cc1noc([C@@]2(C)C=CCC2)n1 ZINC000904494561 637424219 /nfs/dbraw/zinc/42/42/19/637424219.db2.gz NGUYORFQOVVEPY-NSHDSACASA-N 1 2 207.277 1.787 20 0 BDADLO C(C[NH+]1CCOCC1)OC1CCCCC1 ZINC000148848759 637505832 /nfs/dbraw/zinc/50/58/32/637505832.db2.gz SYMJLRQTXJKGEU-UHFFFAOYSA-N 1 2 213.321 1.668 20 0 BDADLO CCC(F)(F)C[S@@](=O)Cc1c[nH+]cn1C ZINC000905188070 637669104 /nfs/dbraw/zinc/66/91/04/637669104.db2.gz LUQCCRWDTXPHJP-HNNXBMFYSA-N 1 2 236.287 1.714 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000905781415 637910326 /nfs/dbraw/zinc/91/03/26/637910326.db2.gz XDNCOTSOEUSSLE-BBBLOLIVSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)OC(C)(C)C ZINC000905867034 637951833 /nfs/dbraw/zinc/95/18/33/637951833.db2.gz MGWVLHSYULGQFO-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO CC(=O)CCn1cc(C[N@H+]2CC[C@@H](C)C2)nn1 ZINC000906261025 638128294 /nfs/dbraw/zinc/12/82/94/638128294.db2.gz WAXONSPBIHAHLA-SNVBAGLBSA-N 1 2 236.319 1.099 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+]2CC[C@@H](C)C2)nn1 ZINC000906261025 638128302 /nfs/dbraw/zinc/12/83/02/638128302.db2.gz WAXONSPBIHAHLA-SNVBAGLBSA-N 1 2 236.319 1.099 20 0 BDADLO O=C1C[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)CCCN1 ZINC000906590852 638213913 /nfs/dbraw/zinc/21/39/13/638213913.db2.gz MYHGEJSDTAWMCC-OLZOCXBDSA-N 1 2 248.301 1.504 20 0 BDADLO O=C1C[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)CCCN1 ZINC000906590852 638213920 /nfs/dbraw/zinc/21/39/20/638213920.db2.gz MYHGEJSDTAWMCC-OLZOCXBDSA-N 1 2 248.301 1.504 20 0 BDADLO COC1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000906661843 638228860 /nfs/dbraw/zinc/22/88/60/638228860.db2.gz YIFQQNDLKYEXFI-UHFFFAOYSA-N 1 2 234.299 1.478 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[C@H]1CCCO1 ZINC000906697619 638233771 /nfs/dbraw/zinc/23/37/71/638233771.db2.gz QDPBPTZNXWRELL-ZYHUDNBSSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cc(C)c(C(=O)NCC[C@H](C)O)c(C)[nH+]1 ZINC000906738968 638236845 /nfs/dbraw/zinc/23/68/45/638236845.db2.gz LQEQMIOLTBGPQJ-JTQLQIEISA-N 1 2 236.315 1.508 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[C@@](C)(O)C2)c(C)[nH+]1 ZINC000906903241 638267212 /nfs/dbraw/zinc/26/72/12/638267212.db2.gz XFAKDXKUNYRGIX-CQSZACIVSA-N 1 2 248.326 1.604 20 0 BDADLO C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCO[C@@H]1C1CC1 ZINC000907351269 638358516 /nfs/dbraw/zinc/35/85/16/638358516.db2.gz OGJIVTGFNSNYMS-CHWSQXEVSA-N 1 2 249.314 1.026 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907524474 638396772 /nfs/dbraw/zinc/39/67/72/638396772.db2.gz CYBPQYVIHCTLJJ-JGAIRUGNSA-N 1 2 239.706 1.457 20 0 BDADLO O=C(CCF)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000907836267 638483558 /nfs/dbraw/zinc/48/35/58/638483558.db2.gz LPHQFIBOVWOEME-LLVKDONJSA-N 1 2 238.262 1.421 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000907911340 638510274 /nfs/dbraw/zinc/51/02/74/638510274.db2.gz LAAFIDZBOQDFRQ-LLVKDONJSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nccnc1Cl ZINC000043538116 638555882 /nfs/dbraw/zinc/55/58/82/638555882.db2.gz ZWJGXVIPXIUYFU-MRVPVSSYSA-N 1 2 237.694 1.827 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc2n(n1)CCCC2 ZINC000908173444 638584301 /nfs/dbraw/zinc/58/43/01/638584301.db2.gz KSOLGAVUHPMKLS-UHFFFAOYSA-N 1 2 245.286 1.124 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(CC(F)(F)F)C1CC1 ZINC000908269062 638628156 /nfs/dbraw/zinc/62/81/56/638628156.db2.gz FXKTWQCOBDLPMK-UHFFFAOYSA-N 1 2 247.220 1.506 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]1C(F)(F)F ZINC000908278370 638630120 /nfs/dbraw/zinc/63/01/20/638630120.db2.gz NPQOSOQKEJRTAM-SSDOTTSWSA-N 1 2 233.193 1.115 20 0 BDADLO C[C@@H](F)CCNC(=O)CNc1cccc[nH+]1 ZINC000908423781 638704017 /nfs/dbraw/zinc/70/40/17/638704017.db2.gz KTNJGLWOJQYYBV-SECBINFHSA-N 1 2 225.267 1.358 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC3CC(=O)C3)ccn12 ZINC000908464834 638724500 /nfs/dbraw/zinc/72/45/00/638724500.db2.gz AWUWGJPPNHKTJI-UHFFFAOYSA-N 1 2 243.266 1.104 20 0 BDADLO C[NH+](C)[C@@H](C(=O)NC1CC(=O)C1)c1ccccc1 ZINC000908471230 638734929 /nfs/dbraw/zinc/73/49/29/638734929.db2.gz PQRYCWKBIQELRG-CYBMUJFWSA-N 1 2 246.310 1.137 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1=CCCCC1 ZINC000908522169 638995898 /nfs/dbraw/zinc/99/58/98/638995898.db2.gz KZPXKXFRBUNRAM-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO CC[C@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908557753 639014230 /nfs/dbraw/zinc/01/42/30/639014230.db2.gz JTYRXHDHSZQIER-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC1(F)F ZINC000908959723 639110998 /nfs/dbraw/zinc/11/09/98/639110998.db2.gz LDBNTVXQWOSPDJ-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO CC(C)(NC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000908999019 639117899 /nfs/dbraw/zinc/11/78/99/639117899.db2.gz VSRSYDWTIQXERZ-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000909901164 639263273 /nfs/dbraw/zinc/26/32/73/639263273.db2.gz NILAXMITUAUNMU-JQWIXIFHSA-N 1 2 221.304 1.503 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CC=CC3)[nH+]c12 ZINC000910007245 639321296 /nfs/dbraw/zinc/32/12/96/639321296.db2.gz LKNGUWLYGNDMBQ-UHFFFAOYSA-N 1 2 241.294 1.584 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000910407265 639435994 /nfs/dbraw/zinc/43/59/94/639435994.db2.gz XXUJDPHHOANMSA-WCQYABFASA-N 1 2 247.342 1.895 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@]12C[C@H]1CCC2 ZINC000930220691 639640985 /nfs/dbraw/zinc/64/09/85/639640985.db2.gz DFTYGPMHQNGLAB-ZYHUDNBSSA-N 1 2 219.288 1.190 20 0 BDADLO CCCC[N@H+](CCCO)Cc1nncs1 ZINC000930237788 639645901 /nfs/dbraw/zinc/64/59/01/639645901.db2.gz WZMUBLCWHWJWQZ-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO CCCC[N@@H+](CCCO)Cc1nncs1 ZINC000930237788 639645905 /nfs/dbraw/zinc/64/59/05/639645905.db2.gz WZMUBLCWHWJWQZ-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930252365 639660768 /nfs/dbraw/zinc/66/07/68/639660768.db2.gz UZYGSHNQQYTLSQ-IWCARMMRSA-N 1 2 241.331 1.603 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930252365 639660770 /nfs/dbraw/zinc/66/07/70/639660770.db2.gz UZYGSHNQQYTLSQ-IWCARMMRSA-N 1 2 241.331 1.603 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2CO[C@@H](C)C2)c(C)[nH+]1 ZINC000911599842 639672951 /nfs/dbraw/zinc/67/29/51/639672951.db2.gz NCLUJZFZIUMQDM-JQWIXIFHSA-N 1 2 248.326 1.914 20 0 BDADLO Cc1cn(C)nc1C[NH+]1CCC(F)(F)CC1 ZINC000930292708 639685099 /nfs/dbraw/zinc/68/50/99/639685099.db2.gz IMGCCVGVCPXRTK-UHFFFAOYSA-N 1 2 229.274 1.960 20 0 BDADLO CC1=CCC[N@H+](CC(=O)Nc2cccnn2)C1 ZINC000930306952 639692478 /nfs/dbraw/zinc/69/24/78/639692478.db2.gz RXXNVGZHZHHHKR-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)Nc2cccnn2)C1 ZINC000930306952 639692482 /nfs/dbraw/zinc/69/24/82/639692482.db2.gz RXXNVGZHZHHHKR-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930308353 639697110 /nfs/dbraw/zinc/69/71/10/639697110.db2.gz XUHLXCXNPMRSIC-DYEKYZERSA-N 1 2 246.310 1.201 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930308353 639697112 /nfs/dbraw/zinc/69/71/12/639697112.db2.gz XUHLXCXNPMRSIC-DYEKYZERSA-N 1 2 246.310 1.201 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344618 639715161 /nfs/dbraw/zinc/71/51/61/639715161.db2.gz ZBJTVPKNUCYSMM-KSXVILFYSA-N 1 2 235.274 1.545 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000930344618 639715166 /nfs/dbraw/zinc/71/51/66/639715166.db2.gz ZBJTVPKNUCYSMM-KSXVILFYSA-N 1 2 235.274 1.545 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@]3(C2)CCCOC3)s1 ZINC000930376021 639735189 /nfs/dbraw/zinc/73/51/89/639735189.db2.gz CPOVDQBLGBTQDM-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO c1nnc(C[N@H+]2CC[C@]3(C2)CCCOC3)s1 ZINC000930376021 639735194 /nfs/dbraw/zinc/73/51/94/639735194.db2.gz CPOVDQBLGBTQDM-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO CC[C@@H]1C[N@H+](CCOC2CC2)C[C@H](C)[S@@]1=O ZINC000930458225 639758966 /nfs/dbraw/zinc/75/89/66/639758966.db2.gz MXNNHVMICRLUMM-IETSOEAISA-N 1 2 245.388 1.397 20 0 BDADLO CC[C@@H]1C[N@@H+](CCOC2CC2)C[C@H](C)[S@@]1=O ZINC000930458225 639758975 /nfs/dbraw/zinc/75/89/75/639758975.db2.gz MXNNHVMICRLUMM-IETSOEAISA-N 1 2 245.388 1.397 20 0 BDADLO c1cc2c(cn1)C[N@H+](CCOC1CC1)C2 ZINC000930462051 639764714 /nfs/dbraw/zinc/76/47/14/639764714.db2.gz DXIAVGITNAFEGW-UHFFFAOYSA-N 1 2 204.273 1.576 20 0 BDADLO c1cc2c(cn1)C[N@@H+](CCOC1CC1)C2 ZINC000930462051 639764721 /nfs/dbraw/zinc/76/47/21/639764721.db2.gz DXIAVGITNAFEGW-UHFFFAOYSA-N 1 2 204.273 1.576 20 0 BDADLO CC1(C)C[C@H](O)CC[N@H+](Cc2nncs2)C1 ZINC000930650466 639845781 /nfs/dbraw/zinc/84/57/81/639845781.db2.gz LUJYKGBPADTJJR-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[C@H](O)CC[N@@H+](Cc2nncs2)C1 ZINC000930650466 639845785 /nfs/dbraw/zinc/84/57/85/639845785.db2.gz LUJYKGBPADTJJR-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CCc1onc(C)c1C[NH+]1CCN(OC)CC1 ZINC000930660988 639850786 /nfs/dbraw/zinc/85/07/86/639850786.db2.gz GSOIRQXOSAHHLZ-UHFFFAOYSA-N 1 2 239.319 1.224 20 0 BDADLO COC/C(C)=C/C[NH2+][C@@H](C)c1csnn1 ZINC000930726781 639878841 /nfs/dbraw/zinc/87/88/41/639878841.db2.gz PODVVKOHNUGYKZ-SGDMMICCSA-N 1 2 227.333 1.781 20 0 BDADLO COC/C(C)=C/C[NH2+][C@H](C)c1csnn1 ZINC000930726784 639880784 /nfs/dbraw/zinc/88/07/84/639880784.db2.gz PODVVKOHNUGYKZ-VGANXODHSA-N 1 2 227.333 1.781 20 0 BDADLO COCC1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000911967693 639911149 /nfs/dbraw/zinc/91/11/49/639911149.db2.gz YYGJQBXRMXPSPF-UHFFFAOYSA-N 1 2 248.326 1.725 20 0 BDADLO COCCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930875917 639964667 /nfs/dbraw/zinc/96/46/67/639964667.db2.gz PHGRFGRAKXGBEX-NSHDSACASA-N 1 2 215.293 1.097 20 0 BDADLO CC(C)(O)CC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930875139 639966150 /nfs/dbraw/zinc/96/61/50/639966150.db2.gz WRFYBMVGTRHSPX-LBPRGKRZSA-N 1 2 229.320 1.221 20 0 BDADLO O=C1C[N@H+](CCOC2CC2)Cc2ccccc2N1 ZINC000930887600 639973843 /nfs/dbraw/zinc/97/38/43/639973843.db2.gz DWYRIABMNDACSF-UHFFFAOYSA-N 1 2 246.310 1.620 20 0 BDADLO O=C1C[N@@H+](CCOC2CC2)Cc2ccccc2N1 ZINC000930887600 639973848 /nfs/dbraw/zinc/97/38/48/639973848.db2.gz DWYRIABMNDACSF-UHFFFAOYSA-N 1 2 246.310 1.620 20 0 BDADLO CCOC(=O)/C=C\C[NH2+][C@H](C)c1cscn1 ZINC000930966406 640000745 /nfs/dbraw/zinc/00/07/45/640000745.db2.gz WLVDGIFIBXISIQ-XRVBUDJMSA-N 1 2 240.328 1.913 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccccc2CF)nn1 ZINC000931015586 640022249 /nfs/dbraw/zinc/02/22/49/640022249.db2.gz FYTWPVUQOYFWQE-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccccc2CF)nn1 ZINC000931015586 640022255 /nfs/dbraw/zinc/02/22/55/640022255.db2.gz FYTWPVUQOYFWQE-UHFFFAOYSA-N 1 2 248.305 1.917 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931081035 640061954 /nfs/dbraw/zinc/06/19/54/640061954.db2.gz XAPVEFZRTJKXJL-JOTVYFQTSA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931081035 640061956 /nfs/dbraw/zinc/06/19/56/640061956.db2.gz XAPVEFZRTJKXJL-JOTVYFQTSA-N 1 2 249.301 1.935 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2CC2CCOCC2)n[nH]1 ZINC000931136354 640071497 /nfs/dbraw/zinc/07/14/97/640071497.db2.gz OMTDENNUAUWSNK-NSHDSACASA-N 1 2 236.319 1.368 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2CC2CCOCC2)n[nH]1 ZINC000931136354 640071502 /nfs/dbraw/zinc/07/15/02/640071502.db2.gz OMTDENNUAUWSNK-NSHDSACASA-N 1 2 236.319 1.368 20 0 BDADLO OCCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135398 640071900 /nfs/dbraw/zinc/07/19/00/640071900.db2.gz VMZAIGHZXVRFNN-NSHDSACASA-N 1 2 238.335 1.494 20 0 BDADLO OCCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135398 640071911 /nfs/dbraw/zinc/07/19/11/640071911.db2.gz VMZAIGHZXVRFNN-NSHDSACASA-N 1 2 238.335 1.494 20 0 BDADLO C[C@H]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000912503528 640099797 /nfs/dbraw/zinc/09/97/97/640099797.db2.gz KXKSCJSYEFMOHH-GXSJLCMTSA-N 1 2 237.303 1.026 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584904 640120004 /nfs/dbraw/zinc/12/00/04/640120004.db2.gz UHHCWOHJFQWRTR-NZGHECTNSA-N 1 2 225.679 1.587 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584472 640120407 /nfs/dbraw/zinc/12/04/07/640120407.db2.gz OTGHCRLYWOMGPE-SECBINFHSA-N 1 2 249.314 1.449 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccns1 ZINC000913057017 640295011 /nfs/dbraw/zinc/29/50/11/640295011.db2.gz GWOTXOLGYOZSBC-ZETCQYMHSA-N 1 2 211.290 1.176 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccns1 ZINC000913057017 640295016 /nfs/dbraw/zinc/29/50/16/640295016.db2.gz GWOTXOLGYOZSBC-ZETCQYMHSA-N 1 2 211.290 1.176 20 0 BDADLO CCn1nc(C)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000913174578 640319931 /nfs/dbraw/zinc/31/99/31/640319931.db2.gz MSVJOVTTWPMWOC-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)[C@@H]1CCC[C@H]1O ZINC000931745225 640348075 /nfs/dbraw/zinc/34/80/75/640348075.db2.gz IOVHMCHDVABXPX-VXGBXAGGSA-N 1 2 242.269 1.705 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)[C@@H]1CCC[C@H]1O ZINC000931745225 640348081 /nfs/dbraw/zinc/34/80/81/640348081.db2.gz IOVHMCHDVABXPX-VXGBXAGGSA-N 1 2 242.269 1.705 20 0 BDADLO C/C=C(\CC)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913451156 640372867 /nfs/dbraw/zinc/37/28/67/640372867.db2.gz KBCFYWSAMDLWTK-QNDISFKXSA-N 1 2 248.330 1.239 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932260704 640462377 /nfs/dbraw/zinc/46/23/77/640462377.db2.gz GCYUOGPXNJTILW-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932260704 640462383 /nfs/dbraw/zinc/46/23/83/640462383.db2.gz GCYUOGPXNJTILW-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cscn2)CCO1 ZINC000932350605 640493681 /nfs/dbraw/zinc/49/36/81/640493681.db2.gz UWPOHHUYRNYGNJ-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cscn2)CCO1 ZINC000932350605 640493688 /nfs/dbraw/zinc/49/36/88/640493688.db2.gz UWPOHHUYRNYGNJ-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO COC(C)(C)[C@H](C)[NH2+]CC(=O)OCC(C)C ZINC000932371410 640500880 /nfs/dbraw/zinc/50/08/80/640500880.db2.gz YELIDZQNIIXZDU-JTQLQIEISA-N 1 2 231.336 1.589 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000164872661 640512105 /nfs/dbraw/zinc/51/21/05/640512105.db2.gz CIGCWOYYXDGACI-SECBINFHSA-N 1 2 219.292 1.477 20 0 BDADLO CCCNc1cc(N[C@H](CO)C(C)C)nc[nH+]1 ZINC000156833054 640514650 /nfs/dbraw/zinc/51/46/50/640514650.db2.gz ZOCDNPCOZMCIBZ-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CCCNc1cc(N[C@H](CO)C(C)C)[nH+]cn1 ZINC000156833054 640514655 /nfs/dbraw/zinc/51/46/55/640514655.db2.gz ZOCDNPCOZMCIBZ-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO O=C(NC1C[NH+](CC2=CCCCC2)C1)C(F)F ZINC001030039179 640530072 /nfs/dbraw/zinc/53/00/72/640530072.db2.gz DVBRZGZOOFWQEA-UHFFFAOYSA-N 1 2 244.285 1.552 20 0 BDADLO CC[N@H+](CCC(N)=O)CC(F)(F)CC ZINC000932479820 640541216 /nfs/dbraw/zinc/54/12/16/640541216.db2.gz MBTCLAUAFKZJBA-UHFFFAOYSA-N 1 2 208.252 1.229 20 0 BDADLO CC[N@@H+](CCC(N)=O)CC(F)(F)CC ZINC000932479820 640541225 /nfs/dbraw/zinc/54/12/25/640541225.db2.gz MBTCLAUAFKZJBA-UHFFFAOYSA-N 1 2 208.252 1.229 20 0 BDADLO CC1(CCC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000932476075 640543176 /nfs/dbraw/zinc/54/31/76/640543176.db2.gz VVOKLCKNSZIGED-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO C[C@@H]1COC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000932502654 640559697 /nfs/dbraw/zinc/55/96/97/640559697.db2.gz WISBSZMMBGWOFB-VXNVDRBHSA-N 1 2 223.276 1.072 20 0 BDADLO CCCCc1nc(C[NH2+][C@H]2COC[C@H]2C)no1 ZINC000932501132 640560260 /nfs/dbraw/zinc/56/02/60/640560260.db2.gz NWDYVIUVMLJLTJ-ZJUUUORDSA-N 1 2 239.319 1.537 20 0 BDADLO COCC[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001030061783 640561738 /nfs/dbraw/zinc/56/17/38/640561738.db2.gz IDUVPBWYPGGFTM-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1cnc(C[N@@H+]2CCn3cccc3C2)c1 ZINC000932526395 640567597 /nfs/dbraw/zinc/56/75/97/640567597.db2.gz SDTFNXXDNMELFO-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1cnc(C[N@H+]2CCn3cccc3C2)c1 ZINC000932526395 640567604 /nfs/dbraw/zinc/56/76/04/640567604.db2.gz SDTFNXXDNMELFO-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1cncc1C[N@@H+]1CCn2cccc2C1 ZINC000932530215 640571257 /nfs/dbraw/zinc/57/12/57/640571257.db2.gz BZECBVGDJYXUGH-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1cncc1C[N@H+]1CCn2cccc2C1 ZINC000932530215 640571260 /nfs/dbraw/zinc/57/12/60/640571260.db2.gz BZECBVGDJYXUGH-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccoc2C)C1 ZINC001030088989 640587173 /nfs/dbraw/zinc/58/71/73/640587173.db2.gz UJFWOJMELKMOEG-UHFFFAOYSA-N 1 2 208.261 1.022 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2occc2C)C1 ZINC001030108365 640597461 /nfs/dbraw/zinc/59/74/61/640597461.db2.gz RGEPJUOWJKGSBR-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO Cc1ccc(C[NH+]2CC(NC(=O)C(C)C)C2)cc1 ZINC001030110841 640599212 /nfs/dbraw/zinc/59/92/12/640599212.db2.gz BPWSPNFUVYGQFB-UHFFFAOYSA-N 1 2 246.354 1.951 20 0 BDADLO OC1(C2CCC2)CC[NH+](Cc2cnon2)CC1 ZINC000932816715 640613237 /nfs/dbraw/zinc/61/32/37/640613237.db2.gz SXOOSUODFQWLFO-UHFFFAOYSA-N 1 2 237.303 1.197 20 0 BDADLO CCOC(=O)CCCC[N@@H+]1CC(=O)CC[C@H]1C ZINC000932871430 640633437 /nfs/dbraw/zinc/63/34/37/640633437.db2.gz QVXIORYBEZMUSP-LLVKDONJSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)CCCC[N@H+]1CC(=O)CC[C@H]1C ZINC000932871430 640633438 /nfs/dbraw/zinc/63/34/38/640633438.db2.gz QVXIORYBEZMUSP-LLVKDONJSA-N 1 2 241.331 1.773 20 0 BDADLO C=CC[C@@H](C(=O)OC)[NH+](CC=C)CC=C ZINC000036448779 640639671 /nfs/dbraw/zinc/63/96/71/640639671.db2.gz YVWHBYFYIYXLQT-NSHDSACASA-N 1 2 209.289 1.778 20 0 BDADLO CC[NH+]1CC(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001030198642 640675060 /nfs/dbraw/zinc/67/50/60/640675060.db2.gz UQWPZRSFEOSLON-UHFFFAOYSA-N 1 2 224.348 1.489 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@H]1CCCCO1)C2 ZINC000933259410 640692373 /nfs/dbraw/zinc/69/23/73/640692373.db2.gz NWHWJITWOFGVMV-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC000933259410 640692377 /nfs/dbraw/zinc/69/23/77/640692377.db2.gz NWHWJITWOFGVMV-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1Cc1ccncc1 ZINC000933826734 640769094 /nfs/dbraw/zinc/76/90/94/640769094.db2.gz KQYFOTMHUZVMDB-LBPRGKRZSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1Cc1ccncc1 ZINC000933826734 640769096 /nfs/dbraw/zinc/76/90/96/640769096.db2.gz KQYFOTMHUZVMDB-LBPRGKRZSA-N 1 2 247.342 1.428 20 0 BDADLO COCC[N@H+](C)CCN[C@@H]1CCc2cccnc21 ZINC000226819483 640794543 /nfs/dbraw/zinc/79/45/43/640794543.db2.gz KKJCZWLBQFCJLS-CYBMUJFWSA-N 1 2 249.358 1.237 20 0 BDADLO COCC[N@@H+](C)CCN[C@@H]1CCc2cccnc21 ZINC000226819483 640794548 /nfs/dbraw/zinc/79/45/48/640794548.db2.gz KKJCZWLBQFCJLS-CYBMUJFWSA-N 1 2 249.358 1.237 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ncc(C)o1 ZINC000934104686 640812502 /nfs/dbraw/zinc/81/25/02/640812502.db2.gz KZUOPMXLKHKSPM-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ncc(C)o1 ZINC000934104686 640812505 /nfs/dbraw/zinc/81/25/05/640812505.db2.gz KZUOPMXLKHKSPM-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ncc(C)o1 ZINC000934104685 640812818 /nfs/dbraw/zinc/81/28/18/640812818.db2.gz KZUOPMXLKHKSPM-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ncc(C)o1 ZINC000934104685 640812820 /nfs/dbraw/zinc/81/28/20/640812820.db2.gz KZUOPMXLKHKSPM-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1[nH]ncc1C ZINC000934105623 640813633 /nfs/dbraw/zinc/81/36/33/640813633.db2.gz PMHUCRKJKOAYCM-QWRGUYRKSA-N 1 2 209.293 1.327 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000228037428 640856631 /nfs/dbraw/zinc/85/66/31/640856631.db2.gz CFZKXURSQPRGNA-RPGNDLBOSA-N 1 2 239.315 1.359 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000228037428 640856635 /nfs/dbraw/zinc/85/66/35/640856635.db2.gz CFZKXURSQPRGNA-RPGNDLBOSA-N 1 2 239.315 1.359 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2(C3CC3)CC2)C1 ZINC001030489061 640877341 /nfs/dbraw/zinc/87/73/41/640877341.db2.gz BZWHKGYFUALALE-UHFFFAOYSA-N 1 2 248.370 1.943 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nocc1C ZINC000934105251 641067232 /nfs/dbraw/zinc/06/72/32/641067232.db2.gz NLZOKXFEWBHJFS-WDEREUQCSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nocc1C ZINC000934105251 641067235 /nfs/dbraw/zinc/06/72/35/641067235.db2.gz NLZOKXFEWBHJFS-WDEREUQCSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nccs1 ZINC000934117199 641081663 /nfs/dbraw/zinc/08/16/63/641081663.db2.gz ZNWZSYBPDSWZSU-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nccs1 ZINC000934117199 641081666 /nfs/dbraw/zinc/08/16/66/641081666.db2.gz ZNWZSYBPDSWZSU-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nc(C)c(C)o1 ZINC000934127201 641086969 /nfs/dbraw/zinc/08/69/69/641086969.db2.gz STFHZIPINLCHGD-QWRGUYRKSA-N 1 2 224.304 1.901 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000934127201 641086973 /nfs/dbraw/zinc/08/69/73/641086973.db2.gz STFHZIPINLCHGD-QWRGUYRKSA-N 1 2 224.304 1.901 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934132906 641088932 /nfs/dbraw/zinc/08/89/32/641088932.db2.gz TVEUPBQVJIBTTR-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934132906 641088936 /nfs/dbraw/zinc/08/89/36/641088936.db2.gz TVEUPBQVJIBTTR-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2cncs2)on1 ZINC000934193781 641097459 /nfs/dbraw/zinc/09/74/59/641097459.db2.gz MXSKECVVNJKVPJ-SSDOTTSWSA-N 1 2 239.300 1.991 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1cccnc1)C1CC1 ZINC000934235534 641111250 /nfs/dbraw/zinc/11/12/50/641111250.db2.gz WTVAKQLYQWCTIO-GWCFXTLKSA-N 1 2 248.326 1.554 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)C(C)C)c1C ZINC000050449390 641152985 /nfs/dbraw/zinc/15/29/85/641152985.db2.gz QXLDBXYYRCLSCM-UHFFFAOYSA-N 1 2 236.315 1.979 20 0 BDADLO C[C@H](c1nc(Cc2cncs2)no1)[NH+](C)C ZINC000924050227 641153025 /nfs/dbraw/zinc/15/30/25/641153025.db2.gz HZEWXXDPSZESTO-SSDOTTSWSA-N 1 2 238.316 1.740 20 0 BDADLO CC1(O)CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000231283473 641153531 /nfs/dbraw/zinc/15/35/31/641153531.db2.gz YIGFXMXHIKFHRI-UHFFFAOYSA-N 1 2 241.722 1.477 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(N)cn1 ZINC000231298196 641157280 /nfs/dbraw/zinc/15/72/80/641157280.db2.gz PZFMATHCRRCTPX-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnc(N)cn1 ZINC000231298196 641157283 /nfs/dbraw/zinc/15/72/83/641157283.db2.gz PZFMATHCRRCTPX-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934485365 641169473 /nfs/dbraw/zinc/16/94/73/641169473.db2.gz ZGHACXUJMJLSTP-CYBMUJFWSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934485365 641169475 /nfs/dbraw/zinc/16/94/75/641169475.db2.gz ZGHACXUJMJLSTP-CYBMUJFWSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000934812930 641277631 /nfs/dbraw/zinc/27/76/31/641277631.db2.gz WVHQEOGBBGXEBW-LBPRGKRZSA-N 1 2 247.342 1.409 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000934812930 641277640 /nfs/dbraw/zinc/27/76/40/641277640.db2.gz WVHQEOGBBGXEBW-LBPRGKRZSA-N 1 2 247.342 1.409 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](CO)C1 ZINC000935108386 641340956 /nfs/dbraw/zinc/34/09/56/641340956.db2.gz PCOAVWGBHNMLGU-SECBINFHSA-N 1 2 245.282 1.017 20 0 BDADLO C[C@@H](c1nc(C[C@H]2CCCO2)no1)[NH+](C)C ZINC000350590333 641364359 /nfs/dbraw/zinc/36/43/59/641364359.db2.gz DYDLUQQSIXFUPY-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@]12C[C@H]1CCC2 ZINC000935331436 641387076 /nfs/dbraw/zinc/38/70/76/641387076.db2.gz NAFAINHLBFKGJU-ZWNOBZJWSA-N 1 2 233.315 1.269 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001030871206 641392691 /nfs/dbraw/zinc/39/26/91/641392691.db2.gz AJBFTTXJDPGTNZ-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2conc2CC)C1 ZINC001030914189 641419029 /nfs/dbraw/zinc/41/90/29/641419029.db2.gz GKWYKIBQGFJKJR-UHFFFAOYSA-N 1 2 237.303 1.061 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030918608 641422908 /nfs/dbraw/zinc/42/29/08/641422908.db2.gz CXHHABKGVIPUGA-GWCFXTLKSA-N 1 2 222.332 1.387 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)C1CC2(CC2)C1 ZINC001030930036 641428559 /nfs/dbraw/zinc/42/85/59/641428559.db2.gz IQGXDWXVJRGFCN-UHFFFAOYSA-N 1 2 240.322 1.337 20 0 BDADLO CS(C)(=O)=NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000913639304 641441133 /nfs/dbraw/zinc/44/11/33/641441133.db2.gz UTNCTESJPRGGDX-UWVGGRQHSA-N 1 2 244.360 1.258 20 0 BDADLO CS(C)(=O)=NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000913639304 641441135 /nfs/dbraw/zinc/44/11/35/641441135.db2.gz UTNCTESJPRGGDX-UWVGGRQHSA-N 1 2 244.360 1.258 20 0 BDADLO C[C@@H](CC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000913718797 641462315 /nfs/dbraw/zinc/46/23/15/641462315.db2.gz GANXMAQRVSZQDT-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000913797843 641479970 /nfs/dbraw/zinc/47/99/70/641479970.db2.gz FQGUFLYEJUTAQO-ADEWGFFLSA-N 1 2 249.314 1.026 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)c2ccco2)C1 ZINC001030943786 641489284 /nfs/dbraw/zinc/48/92/84/641489284.db2.gz USZGOPBEXUSHAK-VIFPVBQESA-N 1 2 222.288 1.203 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)c2ccsc2)C1 ZINC001030945255 641499240 /nfs/dbraw/zinc/49/92/40/641499240.db2.gz FIZHLXAKBLZNPH-SECBINFHSA-N 1 2 238.356 1.672 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)c2cccs2)C1 ZINC001030946431 641500927 /nfs/dbraw/zinc/50/09/27/641500927.db2.gz UIFUXKIXYGYDAV-SECBINFHSA-N 1 2 238.356 1.672 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000936047027 641523466 /nfs/dbraw/zinc/52/34/66/641523466.db2.gz FWULBDHPDODHKS-RKDXNWHRSA-N 1 2 247.298 1.716 20 0 BDADLO CCCCCCN1CC[NH+](CCOC)CC1 ZINC000157381077 641619359 /nfs/dbraw/zinc/61/93/59/641619359.db2.gz VEYAFPLBHJPEPB-UHFFFAOYSA-N 1 2 228.380 1.831 20 0 BDADLO C=C/C=C/CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000914404772 641661701 /nfs/dbraw/zinc/66/17/01/641661701.db2.gz XSLLFFWEEBTEHR-SNAWJCMRSA-N 1 2 219.288 1.509 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC000159338608 641677401 /nfs/dbraw/zinc/67/74/01/641677401.db2.gz DDFXAOGCRFUVIK-MRVPVSSYSA-N 1 2 234.259 1.086 20 0 BDADLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@@H+]1CCF ZINC000992948949 641682538 /nfs/dbraw/zinc/68/25/38/641682538.db2.gz NVFKCHRENBVJFF-JGVFFNPUSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@H+]1CCF ZINC000992948949 641682540 /nfs/dbraw/zinc/68/25/40/641682540.db2.gz NVFKCHRENBVJFF-JGVFFNPUSA-N 1 2 238.253 1.190 20 0 BDADLO CC(C)OC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000730570104 641706036 /nfs/dbraw/zinc/70/60/36/641706036.db2.gz HZKUHWYSOOHMNH-NSHDSACASA-N 1 2 227.304 1.191 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000754381355 641760752 /nfs/dbraw/zinc/76/07/52/641760752.db2.gz ADOMOKWCTNKKQM-BDAKNGLRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCOC[C@H](C)C2)n1 ZINC000754381355 641760762 /nfs/dbraw/zinc/76/07/62/641760762.db2.gz ADOMOKWCTNKKQM-BDAKNGLRSA-N 1 2 225.292 1.407 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC000754382744 641762347 /nfs/dbraw/zinc/76/23/47/641762347.db2.gz GLZDTIJASHERRV-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NOCc1ccccc1 ZINC000189008123 641780282 /nfs/dbraw/zinc/78/02/82/641780282.db2.gz FBPPQAMBEQADLB-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NOCc1ccccc1 ZINC000189008123 641780287 /nfs/dbraw/zinc/78/02/87/641780287.db2.gz FBPPQAMBEQADLB-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000835350131 641792973 /nfs/dbraw/zinc/79/29/73/641792973.db2.gz NGPHBYOVXISEEU-HTQZYQBOSA-N 1 2 248.204 1.625 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cnoc2C(C)C)C1 ZINC001031192603 641796587 /nfs/dbraw/zinc/79/65/87/641796587.db2.gz CVUOHFAZEZFESM-UHFFFAOYSA-N 1 2 237.303 1.232 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000153542822 641815630 /nfs/dbraw/zinc/81/56/30/641815630.db2.gz UQOQYQZWGZSRFF-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO CCN(C(C)=O)C1C[NH+](Cc2ncccc2C)C1 ZINC000949544490 641842835 /nfs/dbraw/zinc/84/28/35/641842835.db2.gz OHGGPPBPEJADNT-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CO[C@H]1C[N@H+](Cn2cc(Cl)cn2)CC[C@H]1C ZINC000190189945 641848168 /nfs/dbraw/zinc/84/81/68/641848168.db2.gz MVALDOQSLAOIJA-KOLCDFICSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@H]1C[N@@H+](Cn2cc(Cl)cn2)CC[C@H]1C ZINC000190189945 641848171 /nfs/dbraw/zinc/84/81/71/641848171.db2.gz MVALDOQSLAOIJA-KOLCDFICSA-N 1 2 243.738 1.851 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)CC ZINC000190182068 641848188 /nfs/dbraw/zinc/84/81/88/641848188.db2.gz UFRBOGNKBZPNIJ-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@H+]1CCC(=O)CC ZINC000190182068 641848190 /nfs/dbraw/zinc/84/81/90/641848190.db2.gz UFRBOGNKBZPNIJ-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CC[C@H](F)C(=O)N1CC[NH+](CC=C(C)C)CC1 ZINC000949692654 641854944 /nfs/dbraw/zinc/85/49/44/641854944.db2.gz BWNYXKRQAUBIEZ-LBPRGKRZSA-N 1 2 242.338 1.845 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001031323235 641961440 /nfs/dbraw/zinc/96/14/40/641961440.db2.gz XWBMSOYJOXTTSR-UHFFFAOYSA-N 1 2 244.241 1.651 20 0 BDADLO CC(C)CONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000154214896 641981884 /nfs/dbraw/zinc/98/18/84/641981884.db2.gz BSASQPYUEUJXRT-SNVBAGLBSA-N 1 2 237.303 1.149 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001031435616 642138958 /nfs/dbraw/zinc/13/89/58/642138958.db2.gz BFTZTMVBCIFXLZ-GFCCVEGCSA-N 1 2 249.358 1.486 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C=C1CCCC1 ZINC000918584255 642231503 /nfs/dbraw/zinc/23/15/03/642231503.db2.gz KELVXNZXYCWMBS-LLVKDONJSA-N 1 2 233.315 1.888 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@H]1CC[C@@H](C)O1)C2 ZINC000933254456 642426316 /nfs/dbraw/zinc/42/63/16/642426316.db2.gz PYLZPUVTQGXAPB-VXGBXAGGSA-N 1 2 249.358 1.829 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@H]1CC[C@@H](C)O1)C2 ZINC000933254456 642426322 /nfs/dbraw/zinc/42/63/22/642426322.db2.gz PYLZPUVTQGXAPB-VXGBXAGGSA-N 1 2 249.358 1.829 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000174952936 642643327 /nfs/dbraw/zinc/64/33/27/642643327.db2.gz UXXQVXWNAPTAFI-GHMZBOCLSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000174952936 642643330 /nfs/dbraw/zinc/64/33/30/642643330.db2.gz UXXQVXWNAPTAFI-GHMZBOCLSA-N 1 2 246.314 1.184 20 0 BDADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1C ZINC000964511971 642752417 /nfs/dbraw/zinc/75/24/17/642752417.db2.gz SWBSBMIZPIFGPJ-JOYOIKCWSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1C ZINC000964511971 642752426 /nfs/dbraw/zinc/75/24/26/642752426.db2.gz SWBSBMIZPIFGPJ-JOYOIKCWSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001009804692 642838828 /nfs/dbraw/zinc/83/88/28/642838828.db2.gz XQDWBNVPCNGMHM-GXSJLCMTSA-N 1 2 237.303 1.254 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001009804692 642838832 /nfs/dbraw/zinc/83/88/32/642838832.db2.gz XQDWBNVPCNGMHM-GXSJLCMTSA-N 1 2 237.303 1.254 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010221547 642855631 /nfs/dbraw/zinc/85/56/31/642855631.db2.gz PKWXHQGXHUDMOT-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010221547 642855632 /nfs/dbraw/zinc/85/56/32/642855632.db2.gz PKWXHQGXHUDMOT-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)co1 ZINC001010769175 642873363 /nfs/dbraw/zinc/87/33/63/642873363.db2.gz WVWCVUSQRGYUHU-LLVKDONJSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)co1 ZINC001010769175 642873365 /nfs/dbraw/zinc/87/33/65/642873365.db2.gz WVWCVUSQRGYUHU-LLVKDONJSA-N 1 2 240.278 1.362 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCCS2)n1 ZINC000070004945 642950399 /nfs/dbraw/zinc/95/03/99/642950399.db2.gz VHTIWCHDQPOWEK-ZETCQYMHSA-N 1 2 213.306 1.747 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031911977 643045069 /nfs/dbraw/zinc/04/50/69/643045069.db2.gz NELXQBTWVAUGAQ-LLVKDONJSA-N 1 2 242.338 1.440 20 0 BDADLO CC[N@@H+](Cc1ccccn1)Cn1cnnc1 ZINC000182603410 643045335 /nfs/dbraw/zinc/04/53/35/643045335.db2.gz XAXVXGWBTXXZKJ-UHFFFAOYSA-N 1 2 217.276 1.153 20 0 BDADLO CC[N@H+](Cc1ccccn1)Cn1cnnc1 ZINC000182603410 643045342 /nfs/dbraw/zinc/04/53/42/643045342.db2.gz XAXVXGWBTXXZKJ-UHFFFAOYSA-N 1 2 217.276 1.153 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032025848 643196163 /nfs/dbraw/zinc/19/61/63/643196163.db2.gz APRHHHDRVOMAMK-CMPLNLGQSA-N 1 2 242.338 1.440 20 0 BDADLO CC1(C)COC[C@@H]1[NH2+]Cc1cnsn1 ZINC000306733739 643224254 /nfs/dbraw/zinc/22/42/54/643224254.db2.gz NKKJXHJAAFUGCX-QMMMGPOBSA-N 1 2 213.306 1.053 20 0 BDADLO CC(C)=CC(=O)NCCCCn1cc[nH+]c1 ZINC000082256737 643285116 /nfs/dbraw/zinc/28/51/16/643285116.db2.gz FBKSGUNCBKZNEE-UHFFFAOYSA-N 1 2 221.304 1.746 20 0 BDADLO C[N@H+](CCC1OCCO1)Cc1cscn1 ZINC000185329349 643292897 /nfs/dbraw/zinc/29/28/97/643292897.db2.gz QNOSGLQVHUJDIM-UHFFFAOYSA-N 1 2 228.317 1.338 20 0 BDADLO C[N@@H+](CCC1OCCO1)Cc1cscn1 ZINC000185329349 643292905 /nfs/dbraw/zinc/29/29/05/643292905.db2.gz QNOSGLQVHUJDIM-UHFFFAOYSA-N 1 2 228.317 1.338 20 0 BDADLO CN1CC[N@H+](Cc2ccoc2)C(C)(C)C1 ZINC000093457416 643335700 /nfs/dbraw/zinc/33/57/00/643335700.db2.gz YQVIYBVOZMTJQW-UHFFFAOYSA-N 1 2 208.305 1.806 20 0 BDADLO CN1CC[N@@H+](Cc2ccoc2)C(C)(C)C1 ZINC000093457416 643335702 /nfs/dbraw/zinc/33/57/02/643335702.db2.gz YQVIYBVOZMTJQW-UHFFFAOYSA-N 1 2 208.305 1.806 20 0 BDADLO CSCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000932586884 643370898 /nfs/dbraw/zinc/37/08/98/643370898.db2.gz QRKVEQNZZDNNDG-UHFFFAOYSA-N 1 2 240.376 1.390 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ocnc1C ZINC001032234425 643379764 /nfs/dbraw/zinc/37/97/64/643379764.db2.gz ACOFTFSQSRDBSH-QWRGUYRKSA-N 1 2 249.314 1.178 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ocnc1C ZINC001032234425 643379767 /nfs/dbraw/zinc/37/97/67/643379767.db2.gz ACOFTFSQSRDBSH-QWRGUYRKSA-N 1 2 249.314 1.178 20 0 BDADLO C[C@@]1(C[NH2+][C@H]2CCOC2=O)CCCS1 ZINC000307183066 643416300 /nfs/dbraw/zinc/41/63/00/643416300.db2.gz OVVQTNKRHDWDKW-WPRPVWTQSA-N 1 2 215.318 1.177 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000891016176 643451357 /nfs/dbraw/zinc/45/13/57/643451357.db2.gz HIPBEWBVAXUIPQ-GXSJLCMTSA-N 1 2 245.282 1.698 20 0 BDADLO CC(C)[S@@](C)(=O)=NC(=O)CCc1c[nH]c[nH+]1 ZINC000926058041 643460080 /nfs/dbraw/zinc/46/00/80/643460080.db2.gz GNUXOJBIAMLPNN-MRXNPFEDSA-N 1 2 243.332 1.375 20 0 BDADLO CC(C)[S@@](C)(=O)=NC(=O)CCc1c[nH+]c[nH]1 ZINC000926058041 643460085 /nfs/dbraw/zinc/46/00/85/643460085.db2.gz GNUXOJBIAMLPNN-MRXNPFEDSA-N 1 2 243.332 1.375 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000929224552 643633355 /nfs/dbraw/zinc/63/33/55/643633355.db2.gz OQUTYVRUKUOFFR-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000929224552 643633361 /nfs/dbraw/zinc/63/33/61/643633361.db2.gz OQUTYVRUKUOFFR-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1C/C=C(/C)C(=O)OC ZINC000084002483 643641150 /nfs/dbraw/zinc/64/11/50/643641150.db2.gz CHCLEIOKBUXKCD-GULOHRGCSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1COCC[N@H+]1C/C=C(/C)C(=O)OC ZINC000084002483 643641153 /nfs/dbraw/zinc/64/11/53/643641153.db2.gz CHCLEIOKBUXKCD-GULOHRGCSA-N 1 2 227.304 1.217 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)OCc1c[nH+]cn1C ZINC000084503570 643663354 /nfs/dbraw/zinc/66/33/54/643663354.db2.gz FEFNNDVGTDOAQH-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050268304 643670930 /nfs/dbraw/zinc/67/09/30/643670930.db2.gz MATRUQDXKBZBHN-RYUDHWBXSA-N 1 2 241.331 1.856 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)cnc1C ZINC000921873721 643814929 /nfs/dbraw/zinc/81/49/29/643814929.db2.gz MRBXLKHBRNHDJW-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922181077 643893508 /nfs/dbraw/zinc/89/35/08/643893508.db2.gz MDGKNQWDPGCEAB-VXNVDRBHSA-N 1 2 206.245 1.363 20 0 BDADLO CC[C@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922225489 643909676 /nfs/dbraw/zinc/90/96/76/643909676.db2.gz SAJRKNQKROHDKS-QMMMGPOBSA-N 1 2 208.261 1.753 20 0 BDADLO Nc1[nH+]cccc1COC(=O)CSC(F)F ZINC000922265066 643934741 /nfs/dbraw/zinc/93/47/41/643934741.db2.gz NPUHCZKAPHTIKQ-UHFFFAOYSA-N 1 2 248.254 1.663 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@]12CCCO2 ZINC000922303573 643962569 /nfs/dbraw/zinc/96/25/69/643962569.db2.gz WFTOUFGWNQIUJO-MFKMUULPSA-N 1 2 249.314 1.170 20 0 BDADLO CC(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922353495 643977929 /nfs/dbraw/zinc/97/79/29/643977929.db2.gz ZJHPUAHLJLLUPU-UHFFFAOYSA-N 1 2 208.261 1.753 20 0 BDADLO CCO[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922344873 643978069 /nfs/dbraw/zinc/97/80/69/643978069.db2.gz NQYURCAUOKRNCF-MRVPVSSYSA-N 1 2 224.260 1.132 20 0 BDADLO CC(C)(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922353060 643979448 /nfs/dbraw/zinc/97/94/48/643979448.db2.gz NUILRKKMKNEAJA-UHFFFAOYSA-N 1 2 208.261 1.753 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922362785 643980554 /nfs/dbraw/zinc/98/05/54/643980554.db2.gz DOARMXMXPDIGOK-ZJUUUORDSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@@H](C(=O)OCc1ccc(N)[nH+]c1)C1CC1 ZINC000922507189 644005177 /nfs/dbraw/zinc/00/51/77/644005177.db2.gz ADKMDQVYKUXGSK-MRVPVSSYSA-N 1 2 220.272 1.753 20 0 BDADLO Nc1ccc(COC(=O)C=C2CCC2)c[nH+]1 ZINC000922520424 644010643 /nfs/dbraw/zinc/01/06/43/644010643.db2.gz MJRZSYDPOWMFTQ-UHFFFAOYSA-N 1 2 218.256 1.817 20 0 BDADLO Cn1nccc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922578590 644032126 /nfs/dbraw/zinc/03/21/26/644032126.db2.gz BITGVDGRZLQKDU-LBPRGKRZSA-N 1 2 243.314 1.451 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922583495 644033791 /nfs/dbraw/zinc/03/37/91/644033791.db2.gz UDRRAGBJTXFRNF-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922584888 644034310 /nfs/dbraw/zinc/03/43/10/644034310.db2.gz ODQUCGHVFZDGFI-CYBMUJFWSA-N 1 2 243.314 1.451 20 0 BDADLO CC(Cl)(Cl)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922588401 644038160 /nfs/dbraw/zinc/03/81/60/644038160.db2.gz KAPPHYCKSWFERP-UHFFFAOYSA-N 1 2 249.097 1.901 20 0 BDADLO CCn1nccc1C(=O)OCc1ccc[nH+]c1N ZINC000922623995 644043509 /nfs/dbraw/zinc/04/35/09/644043509.db2.gz MVXATSUQNNZBCF-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO CCn1ncc(C[NH2+]C(C)(C)/C=C/Cl)n1 ZINC000922643715 644049846 /nfs/dbraw/zinc/04/98/46/644049846.db2.gz AWWXLFGLAPSPAF-AATRIKPKSA-N 1 2 228.727 1.919 20 0 BDADLO Nc1ccc(COC(=O)CCC(F)F)c[nH+]1 ZINC000922686574 644067350 /nfs/dbraw/zinc/06/73/50/644067350.db2.gz IIRWNZGZTYIUEN-UHFFFAOYSA-N 1 2 230.214 1.752 20 0 BDADLO CO[C@H](C(=O)OCc1ccc[nH+]c1N)C1CC1 ZINC000922685043 644067496 /nfs/dbraw/zinc/06/74/96/644067496.db2.gz XVGFVTJFGOQBDW-JTQLQIEISA-N 1 2 236.271 1.132 20 0 BDADLO C[C@@H](C(=O)OCc1ccc[nH+]c1N)C(C)(F)F ZINC000922765588 644089153 /nfs/dbraw/zinc/08/91/53/644089153.db2.gz CQACEBOSAGZOFV-ZETCQYMHSA-N 1 2 244.241 1.998 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C/[C@H]1CCOC1 ZINC000922777610 644092796 /nfs/dbraw/zinc/09/27/96/644092796.db2.gz WQXRRKFDQRLZIT-FSIBCCDJSA-N 1 2 248.282 1.300 20 0 BDADLO C[C@@H]1CCO[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922777157 644093064 /nfs/dbraw/zinc/09/30/64/644093064.db2.gz VLZPSRFPCWGFIU-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCC(=O)C1 ZINC000922833489 644111563 /nfs/dbraw/zinc/11/15/63/644111563.db2.gz IJAGUYSVOIPJCI-QMMMGPOBSA-N 1 2 234.255 1.076 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000922876201 644124757 /nfs/dbraw/zinc/12/47/57/644124757.db2.gz LQPXJDOJBJNNSF-URLYPYJESA-N 1 2 232.283 1.753 20 0 BDADLO C#CCCCC(=O)NNc1cc[nH+]cc1Cl ZINC000192212134 644138177 /nfs/dbraw/zinc/13/81/77/644138177.db2.gz ZCOFSMIUBMHLLG-UHFFFAOYSA-N 1 2 237.690 1.982 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cncc(O)c1 ZINC000922975213 644206131 /nfs/dbraw/zinc/20/61/31/644206131.db2.gz BIIJSWOEEHVTNO-UHFFFAOYSA-N 1 2 218.260 1.109 20 0 BDADLO Oc1cncc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000922976532 644211213 /nfs/dbraw/zinc/21/12/13/644211213.db2.gz ZILFWACAFMQDLV-UHFFFAOYSA-N 1 2 244.298 1.220 20 0 BDADLO COCC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187075318 644257639 /nfs/dbraw/zinc/25/76/39/644257639.db2.gz PLJVPLRAPZUPEZ-OAHLLOKOSA-N 1 2 227.329 1.594 20 0 BDADLO C/C=C(/C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000081657936 644336624 /nfs/dbraw/zinc/33/66/24/644336624.db2.gz MUSLDEJPVLFLSS-JYOAFUTRSA-N 1 2 247.342 1.844 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCC1(C)COC1 ZINC000742349504 644565264 /nfs/dbraw/zinc/56/52/64/644565264.db2.gz YRWYNGRGSHQZEZ-UHFFFAOYSA-N 1 2 234.299 1.878 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000805323450 644665703 /nfs/dbraw/zinc/66/57/03/644665703.db2.gz OFIMJFBEIDUOSH-WDEREUQCSA-N 1 2 247.342 1.750 20 0 BDADLO CCOCC[N@H+](C)CN1CCSC1=S ZINC000092885039 644671326 /nfs/dbraw/zinc/67/13/26/644671326.db2.gz YOTGFDULTUSTCW-UHFFFAOYSA-N 1 2 234.390 1.246 20 0 BDADLO CCOCC[N@@H+](C)CN1CCSC1=S ZINC000092885039 644671340 /nfs/dbraw/zinc/67/13/40/644671340.db2.gz YOTGFDULTUSTCW-UHFFFAOYSA-N 1 2 234.390 1.246 20 0 BDADLO COc1ccc[nH+]c1NC1CCN(C=O)CC1 ZINC000774304740 644697117 /nfs/dbraw/zinc/69/71/17/644697117.db2.gz XNEJSCBRIDLLRD-UHFFFAOYSA-N 1 2 235.287 1.123 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213388 644711151 /nfs/dbraw/zinc/71/11/51/644711151.db2.gz HWKKMEVTRXUWSX-FGUAACIASA-N 1 2 233.315 1.670 20 0 BDADLO CS/C=C/C(=O)OCCc1c[nH+]cn1C ZINC000793241449 644802027 /nfs/dbraw/zinc/80/20/27/644802027.db2.gz LKYLAZUUONCTCS-GQCTYLIASA-N 1 2 226.301 1.383 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000411540873 644805025 /nfs/dbraw/zinc/80/50/25/644805025.db2.gz VRXWAKCPVAFNAN-MXWKQRLJSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000251926380 644830982 /nfs/dbraw/zinc/83/09/82/644830982.db2.gz QRVYUINBVZCSQM-TUAOUCFPSA-N 1 2 245.363 1.835 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@H]1CCCCO1)C2 ZINC000809564627 644891976 /nfs/dbraw/zinc/89/19/76/644891976.db2.gz AUBXHBPFZZZSHF-CYBMUJFWSA-N 1 2 218.300 1.966 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000809564627 644891981 /nfs/dbraw/zinc/89/19/81/644891981.db2.gz AUBXHBPFZZZSHF-CYBMUJFWSA-N 1 2 218.300 1.966 20 0 BDADLO O=C(NOCCC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000817399660 644978089 /nfs/dbraw/zinc/97/80/89/644978089.db2.gz VPTVDCKFYACARX-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(C)oc1C ZINC000827867641 645088298 /nfs/dbraw/zinc/08/82/98/645088298.db2.gz KZLQQUXDKUQOKX-UHFFFAOYSA-N 1 2 210.277 1.074 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(C)oc1C ZINC000827867641 645088301 /nfs/dbraw/zinc/08/83/01/645088301.db2.gz KZLQQUXDKUQOKX-UHFFFAOYSA-N 1 2 210.277 1.074 20 0 BDADLO Cc1cc(C)c(C[NH2+][C@H](C)c2cnn(C)n2)cn1 ZINC000926552877 645275518 /nfs/dbraw/zinc/27/55/18/645275518.db2.gz ZFQWVDSTGDKFGE-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H](OC(C)C)C2)n1 ZINC000843413673 645290826 /nfs/dbraw/zinc/29/08/26/645290826.db2.gz LEXVQXJNPBNEIU-GFCCVEGCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H](OC(C)C)C2)n1 ZINC000843413673 645290829 /nfs/dbraw/zinc/29/08/29/645290829.db2.gz LEXVQXJNPBNEIU-GFCCVEGCSA-N 1 2 238.335 1.297 20 0 BDADLO CC(C)Cn1nccc1C[NH+]1CC2(C1)CCOC2 ZINC000843412844 645290893 /nfs/dbraw/zinc/29/08/93/645290893.db2.gz WQQFNSLTDIVVCG-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO Clc1cc(C[N@@H+]2CCn3nncc3C2)ccn1 ZINC000847016952 645415950 /nfs/dbraw/zinc/41/59/50/645415950.db2.gz HGFCSFQFMRBPJR-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cc(C[N@H+]2CCn3nncc3C2)ccn1 ZINC000847016952 645415957 /nfs/dbraw/zinc/41/59/57/645415957.db2.gz HGFCSFQFMRBPJR-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCO[C@@H]1CCOC1 ZINC000927086620 645543489 /nfs/dbraw/zinc/54/34/89/645543489.db2.gz XEWPGLQKBAMMHV-MWLCHTKSSA-N 1 2 239.319 1.174 20 0 BDADLO CCN(CC(=O)OC)Cc1cc(C)cc(C)[nH+]1 ZINC000723603003 711523969 /nfs/dbraw/zinc/52/39/69/711523969.db2.gz PLAVTQLVGLRAPT-UHFFFAOYSA-N 1 2 236.315 1.693 20 0 BDADLO COc1ccc(N(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000857546914 645608432 /nfs/dbraw/zinc/60/84/32/645608432.db2.gz KEYQUEVSOWOCRU-UHFFFAOYSA-N 1 2 245.282 1.624 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927483463 645623288 /nfs/dbraw/zinc/62/32/88/645623288.db2.gz WXTRFPXFSYOZOO-SRVKXCTJSA-N 1 2 247.342 1.813 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927494967 645627422 /nfs/dbraw/zinc/62/74/22/645627422.db2.gz MUPIULOCDREBOO-NHCYSSNCSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000928040457 645685675 /nfs/dbraw/zinc/68/56/75/645685675.db2.gz ZDMATLZECHNBAZ-FOUMNBMASA-N 1 2 247.342 1.513 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC2(CCC2)CO1 ZINC000924113948 645982886 /nfs/dbraw/zinc/98/28/86/645982886.db2.gz KLCVHXCVZWOSHO-JTQLQIEISA-N 1 2 249.314 1.028 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(CO)on1 ZINC000924898789 646128520 /nfs/dbraw/zinc/12/85/20/646128520.db2.gz AXUYGKSUASDPBV-SECBINFHSA-N 1 2 248.282 1.723 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(F)F ZINC000929487179 646143174 /nfs/dbraw/zinc/14/31/74/646143174.db2.gz JORDUFKDFXUGLO-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(F)F ZINC000929487179 646143176 /nfs/dbraw/zinc/14/31/76/646143176.db2.gz JORDUFKDFXUGLO-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC=CCC1 ZINC000925389658 646256960 /nfs/dbraw/zinc/25/69/60/646256960.db2.gz BKXOGJZFVPNZHZ-UHFFFAOYSA-N 1 2 233.315 1.876 20 0 BDADLO COc1nnc(C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC000929830058 646347712 /nfs/dbraw/zinc/34/77/12/646347712.db2.gz YMJWRBNAUSTDLZ-OCAPTIKFSA-N 1 2 227.333 1.920 20 0 BDADLO COc1nnc(C[N@@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC000929830058 646347719 /nfs/dbraw/zinc/34/77/19/646347719.db2.gz YMJWRBNAUSTDLZ-OCAPTIKFSA-N 1 2 227.333 1.920 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000929840743 646351137 /nfs/dbraw/zinc/35/11/37/646351137.db2.gz FUECYMVIBBZDJM-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000929840743 646351142 /nfs/dbraw/zinc/35/11/42/646351142.db2.gz FUECYMVIBBZDJM-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1(C2CC2)CCC1 ZINC000925713537 646438469 /nfs/dbraw/zinc/43/84/69/646438469.db2.gz WNLJSBHOKXLAIR-UHFFFAOYSA-N 1 2 219.288 1.332 20 0 BDADLO Cc1cccc([C@H](O)C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000930122177 646445191 /nfs/dbraw/zinc/44/51/91/646445191.db2.gz VGZZPEIGTBRFQG-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1cccc([C@H](O)C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000930122177 646445198 /nfs/dbraw/zinc/44/51/98/646445198.db2.gz VGZZPEIGTBRFQG-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000925821450 646495470 /nfs/dbraw/zinc/49/54/70/646495470.db2.gz NLXYUFFUFSMYEK-PWJLMRLQSA-N 1 2 243.332 1.233 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000925821450 646495474 /nfs/dbraw/zinc/49/54/74/646495474.db2.gz NLXYUFFUFSMYEK-PWJLMRLQSA-N 1 2 243.332 1.233 20 0 BDADLO CCS(=O)(CC)=NC(=O)CCn1cc[nH+]c1 ZINC000925894528 646535350 /nfs/dbraw/zinc/53/53/50/646535350.db2.gz ZSMIVSPHYHWPQY-UHFFFAOYSA-N 1 2 243.332 1.308 20 0 BDADLO CC[C@@H]1COC[C@@H]1[NH2+]C1(C(F)F)CC1 ZINC000926364366 646620830 /nfs/dbraw/zinc/62/08/30/646620830.db2.gz HTMWPELJCUVJFU-SFYZADRCSA-N 1 2 205.248 1.799 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1nccs1)C(F)F ZINC000724730801 711609667 /nfs/dbraw/zinc/60/96/67/711609667.db2.gz WBMAXXPIAFVIBG-SCSAIBSYSA-N 1 2 221.232 1.064 20 0 BDADLO CN(C(=O)C[C@@H]([NH3+])C(F)F)c1ccc(F)cc1 ZINC000724737863 711610132 /nfs/dbraw/zinc/61/01/32/711610132.db2.gz DBRKNFRPYNTRLD-SECBINFHSA-N 1 2 246.232 1.771 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCCCC1 ZINC000135985993 711674277 /nfs/dbraw/zinc/67/42/77/711674277.db2.gz XGZYOWYJHLCUSU-UHFFFAOYSA-N 1 2 222.292 1.079 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000227374087 711832329 /nfs/dbraw/zinc/83/23/29/711832329.db2.gz HFCWTIBBPYOOEP-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000227374087 711832330 /nfs/dbraw/zinc/83/23/30/711832330.db2.gz HFCWTIBBPYOOEP-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO CCC[C@@H]1C[N@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000709046348 712206540 /nfs/dbraw/zinc/20/65/40/712206540.db2.gz VXHXVZDJGGZTDA-IGEMTJHASA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000709046348 712206542 /nfs/dbraw/zinc/20/65/42/712206542.db2.gz VXHXVZDJGGZTDA-IGEMTJHASA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)OC ZINC000710846926 712258523 /nfs/dbraw/zinc/25/85/23/712258523.db2.gz YAYUTZRQJLJOFL-ZDCRXTMVSA-N 1 2 229.320 1.199 20 0 BDADLO CC1(C)CN(C(=O)C(F)C(F)(F)F)CC[NH2+]1 ZINC000378863344 712364646 /nfs/dbraw/zinc/36/46/46/712364646.db2.gz VHFMMJYDVDVDFT-LURJTMIESA-N 1 2 242.216 1.097 20 0 BDADLO CC1(C)CN(C(=O)[C@H](F)C(F)(F)F)CC[NH2+]1 ZINC000378863344 712364648 /nfs/dbraw/zinc/36/46/48/712364648.db2.gz VHFMMJYDVDVDFT-LURJTMIESA-N 1 2 242.216 1.097 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1cc[nH+]cc1F ZINC000716812613 712576220 /nfs/dbraw/zinc/57/62/20/712576220.db2.gz CABYDHMSRYDQHG-IUCAKERBSA-N 1 2 212.268 1.604 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982957 712896801 /nfs/dbraw/zinc/89/68/01/712896801.db2.gz GFUUQMZFKUTWJM-MNOVXSKESA-N 1 2 228.311 1.335 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037982957 712896802 /nfs/dbraw/zinc/89/68/02/712896802.db2.gz GFUUQMZFKUTWJM-MNOVXSKESA-N 1 2 228.311 1.335 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)c1ccccc1F ZINC000380361620 712897295 /nfs/dbraw/zinc/89/72/95/712897295.db2.gz BEUCSAGXIYBVQW-AOOOYVTPSA-N 1 2 219.259 1.960 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)c1ccccc1F ZINC000380361620 712897296 /nfs/dbraw/zinc/89/72/96/712897296.db2.gz BEUCSAGXIYBVQW-AOOOYVTPSA-N 1 2 219.259 1.960 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H](CO)C1CC1 ZINC000381365388 710628162 /nfs/dbraw/zinc/62/81/62/710628162.db2.gz GSFHXHCKWRTWGG-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)=C(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381557169 710655034 /nfs/dbraw/zinc/65/50/34/710655034.db2.gz PBDCIRXFMYLIKR-UHFFFAOYSA-N 1 2 220.272 1.894 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000380400511 712900501 /nfs/dbraw/zinc/90/05/01/712900501.db2.gz PLEIPMNYMALKOO-MXFLAHGMSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000380400511 712900502 /nfs/dbraw/zinc/90/05/02/712900502.db2.gz PLEIPMNYMALKOO-MXFLAHGMSA-N 1 2 227.304 1.215 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CC12CC(O)C2 ZINC000724971345 710751925 /nfs/dbraw/zinc/75/19/25/710751925.db2.gz NJTKJZASXXAYRN-KRBLXSNTSA-N 1 2 220.272 1.416 20 0 BDADLO CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC001067347621 710765645 /nfs/dbraw/zinc/76/56/45/710765645.db2.gz PDDUCOSWQMJHQM-CABZTGNLSA-N 1 2 248.330 1.136 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2cocn2)C1 ZINC001042539588 710791618 /nfs/dbraw/zinc/79/16/18/710791618.db2.gz JYWYYVIKPKHAQN-UHFFFAOYSA-N 1 2 249.314 1.397 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001043969636 710816252 /nfs/dbraw/zinc/81/62/52/710816252.db2.gz BCMNFLVRXGQCQJ-ZDUSSCGKSA-N 1 2 248.370 1.895 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2nccs2)C1 ZINC001046085744 710846351 /nfs/dbraw/zinc/84/63/51/710846351.db2.gz DAJOVRSEFAKGHL-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2nccs2)C1 ZINC001046085744 710846353 /nfs/dbraw/zinc/84/63/53/710846353.db2.gz DAJOVRSEFAKGHL-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)nc[nH+]1 ZINC000384554726 710919013 /nfs/dbraw/zinc/91/90/13/710919013.db2.gz GTLIPKDJJYPZSF-XHNCKOQMSA-N 1 2 222.292 1.496 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)[nH+]cn1 ZINC000384554726 710919018 /nfs/dbraw/zinc/91/90/18/710919018.db2.gz GTLIPKDJJYPZSF-XHNCKOQMSA-N 1 2 222.292 1.496 20 0 BDADLO CNc1cc(NCc2ccc(C)nc2)nc[nH+]1 ZINC000133086105 710967618 /nfs/dbraw/zinc/96/76/18/710967618.db2.gz RBMFUGDXGNXGES-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CNc1cc(NCc2ccc(C)nc2)[nH+]cn1 ZINC000133086105 710967623 /nfs/dbraw/zinc/96/76/23/710967623.db2.gz RBMFUGDXGNXGES-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)C1CC1 ZINC000147370837 711006553 /nfs/dbraw/zinc/00/65/53/711006553.db2.gz FFZJXYUKABCMGO-WDEREUQCSA-N 1 2 235.331 1.824 20 0 BDADLO CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000385920735 711019839 /nfs/dbraw/zinc/01/98/39/711019839.db2.gz JFSXTIVDPUIKFN-UHFFFAOYSA-N 1 2 216.240 1.935 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001068747600 711024723 /nfs/dbraw/zinc/02/47/23/711024723.db2.gz QKXGCLHXLNVEBP-MWLCHTKSSA-N 1 2 248.330 1.596 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CC(C)(C)COC ZINC000389608551 711082225 /nfs/dbraw/zinc/08/22/25/711082225.db2.gz ZSFOZLUUTUCYSF-VIFPVBQESA-N 1 2 217.309 1.200 20 0 BDADLO C[S@@](=O)CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000390504845 711122163 /nfs/dbraw/zinc/12/21/63/711122163.db2.gz WNFIWOSCQMFOGO-MRXNPFEDSA-N 1 2 237.328 1.031 20 0 BDADLO Nc1ccc(C(=O)OCCn2cc[nH+]c2)c(F)c1 ZINC000395391614 711210034 /nfs/dbraw/zinc/21/00/34/711210034.db2.gz WVXUMSXTMRUVLT-UHFFFAOYSA-N 1 2 249.245 1.461 20 0 BDADLO CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001067008420 710598595 /nfs/dbraw/zinc/59/85/95/710598595.db2.gz IWRCWOKERLVNRO-KCJUWKMLSA-N 1 2 234.303 1.064 20 0 BDADLO CCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001067008457 710599315 /nfs/dbraw/zinc/59/93/15/710599315.db2.gz KFQRVYSPEBMYJQ-ONGXEEELSA-N 1 2 248.330 1.454 20 0 BDADLO Cn1c[nH+]cc1CNCc1nc(C(C)(C)C)co1 ZINC000724428786 710741425 /nfs/dbraw/zinc/74/14/25/710741425.db2.gz JFOWRYGEAQQRIM-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO COc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000724767740 710744510 /nfs/dbraw/zinc/74/45/10/710744510.db2.gz WVPLTEYBIZTVTK-SECBINFHSA-N 1 2 244.241 1.616 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cnn(C)n2)c(C)o1 ZINC000383634177 710984567 /nfs/dbraw/zinc/98/45/67/710984567.db2.gz XWENEYDNDZUABC-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cncs2)[nH]1 ZINC000392412789 711147111 /nfs/dbraw/zinc/14/71/11/711147111.db2.gz DIBBYPMGPGLGQP-RQJHMYQMSA-N 1 2 237.332 1.981 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)nc2)[nH]1 ZINC000392446641 711147275 /nfs/dbraw/zinc/14/72/75/711147275.db2.gz DPCHVTIRLGOHDB-VIFPVBQESA-N 1 2 231.303 1.667 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(C)s2)[nH]1 ZINC000392420092 711147696 /nfs/dbraw/zinc/14/76/96/711147696.db2.gz OMJGQCMSXZZVPE-LURJTMIESA-N 1 2 237.332 1.729 20 0 BDADLO C[C@@H]([NH2+]C[C@]1(C)CCOC1)C(=O)OC(C)(C)C ZINC000397201398 711379872 /nfs/dbraw/zinc/37/98/72/711379872.db2.gz WMBOTHURXVHQIK-MFKMUULPSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000399624381 711432890 /nfs/dbraw/zinc/43/28/90/711432890.db2.gz GNZQZOCFWSMHFN-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000399624381 711432891 /nfs/dbraw/zinc/43/28/91/711432891.db2.gz GNZQZOCFWSMHFN-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@@]2(C)CO)cc1Cl ZINC000723038845 711497115 /nfs/dbraw/zinc/49/71/15/711497115.db2.gz DIMKKQFLWXRXGU-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@@]2(C)CO)cc1Cl ZINC000723038845 711497116 /nfs/dbraw/zinc/49/71/16/711497116.db2.gz DIMKKQFLWXRXGU-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Nc1ccc(C(=O)OCCn2cc[nH+]c2)cc1F ZINC000386234885 711500130 /nfs/dbraw/zinc/50/01/30/711500130.db2.gz NHEPVXWSVVPUON-UHFFFAOYSA-N 1 2 249.245 1.461 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNCc1nc(C(C)(C)C)co1 ZINC000724425781 711579670 /nfs/dbraw/zinc/57/96/70/711579670.db2.gz YQUXHZILGMWVDB-SNVBAGLBSA-N 1 2 237.347 1.766 20 0 BDADLO C[N@H+]1CC[C@@H]1CNCc1nc(C(C)(C)C)co1 ZINC000724425781 711579672 /nfs/dbraw/zinc/57/96/72/711579672.db2.gz YQUXHZILGMWVDB-SNVBAGLBSA-N 1 2 237.347 1.766 20 0 BDADLO CC(C)CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724726302 711610314 /nfs/dbraw/zinc/61/03/14/711610314.db2.gz BWVIBLKORLRMQU-QMMMGPOBSA-N 1 2 222.279 1.521 20 0 BDADLO [NH3+][C@@H](CC(=O)N1CCc2ccccc21)C(F)F ZINC000724760114 711610456 /nfs/dbraw/zinc/61/04/56/711610456.db2.gz VDKXTRILBLNKMV-VIFPVBQESA-N 1 2 240.253 1.558 20 0 BDADLO C[C@H]([NH2+]CCC1(CO)CC1)C(=O)OC(C)(C)C ZINC000395859926 711698062 /nfs/dbraw/zinc/69/80/62/711698062.db2.gz RWGOEIVHTHPQFC-JTQLQIEISA-N 1 2 243.347 1.469 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722317179 711734817 /nfs/dbraw/zinc/73/48/17/711734817.db2.gz XKFJWGIREIPRCG-STQMWFEESA-N 1 2 235.331 1.765 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722317178 711734853 /nfs/dbraw/zinc/73/48/53/711734853.db2.gz XKFJWGIREIPRCG-QWHCGFSZSA-N 1 2 235.331 1.765 20 0 BDADLO CNc1cc(NC[C@H]2CC[C@H](C3CC3)O2)[nH+]cn1 ZINC000722329530 711737848 /nfs/dbraw/zinc/73/78/48/711737848.db2.gz OOMKPDSFKGOSOM-GHMZBOCLSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(NC[C@@H]2CC[C@@H](C3CC3)O2)[nH+]cn1 ZINC000722329532 711737992 /nfs/dbraw/zinc/73/79/92/711737992.db2.gz OOMKPDSFKGOSOM-QWRGUYRKSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981884961 711757330 /nfs/dbraw/zinc/75/73/30/711757330.db2.gz KQISMTFETHJTQI-RYUDHWBXSA-N 1 2 242.338 1.536 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981884961 711757331 /nfs/dbraw/zinc/75/73/31/711757331.db2.gz KQISMTFETHJTQI-RYUDHWBXSA-N 1 2 242.338 1.536 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889604576 711775058 /nfs/dbraw/zinc/77/50/58/711775058.db2.gz DWYCIXAAKMXPAF-GMTAPVOTSA-N 1 2 233.315 1.647 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000061589189 711839081 /nfs/dbraw/zinc/83/90/81/711839081.db2.gz UWONAIWWLVMUNA-IUCAKERBSA-N 1 2 217.334 1.423 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cccc(Cl)n1 ZINC000700243944 711872733 /nfs/dbraw/zinc/87/27/33/711872733.db2.gz NNWIJHFDEWDFCZ-SECBINFHSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cccc(Cl)n1 ZINC000700243944 711872735 /nfs/dbraw/zinc/87/27/35/711872735.db2.gz NNWIJHFDEWDFCZ-SECBINFHSA-N 1 2 241.722 1.478 20 0 BDADLO CCONC(=O)CSCC[NH+](CC)CC ZINC000072848979 711906231 /nfs/dbraw/zinc/90/62/31/711906231.db2.gz NJXLNQKXMQJIFZ-UHFFFAOYSA-N 1 2 234.365 1.129 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccnn2C2CCC2)nn1 ZINC000921987303 711951982 /nfs/dbraw/zinc/95/19/82/711951982.db2.gz WNZITSJLLYAKPG-UHFFFAOYSA-N 1 2 246.318 1.026 20 0 BDADLO CN(C(=O)c1ccco1)[C@H]1CC[N@H+](CCF)C1 ZINC001032871692 711965782 /nfs/dbraw/zinc/96/57/82/711965782.db2.gz GEOGSAAPWNHLBZ-JTQLQIEISA-N 1 2 240.278 1.395 20 0 BDADLO CN(C(=O)c1ccco1)[C@H]1CC[N@@H+](CCF)C1 ZINC001032871692 711965784 /nfs/dbraw/zinc/96/57/84/711965784.db2.gz GEOGSAAPWNHLBZ-JTQLQIEISA-N 1 2 240.278 1.395 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+][C@H]1CO[C@@H](C3CC3)C1)CCC2 ZINC000700993967 712011210 /nfs/dbraw/zinc/01/12/10/712011210.db2.gz VJELQYONLQCDCE-MPKXVKKWSA-N 1 2 247.342 1.944 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](O)c1ccccc1 ZINC000701151378 712016934 /nfs/dbraw/zinc/01/69/34/712016934.db2.gz MNTYXDAXAJLTRU-LBPRGKRZSA-N 1 2 245.282 1.068 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CC[C@@H](F)C1 ZINC000701684249 712028110 /nfs/dbraw/zinc/02/81/10/712028110.db2.gz XVAZLLCFUCRGHM-ZBJFTSOASA-N 1 2 201.241 1.150 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CC[C@@H](F)C1 ZINC000701684249 712028111 /nfs/dbraw/zinc/02/81/11/712028111.db2.gz XVAZLLCFUCRGHM-ZBJFTSOASA-N 1 2 201.241 1.150 20 0 BDADLO CCO[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000701839012 712030897 /nfs/dbraw/zinc/03/08/97/712030897.db2.gz LHRPCWZOUNQJPM-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCO[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000701839012 712030898 /nfs/dbraw/zinc/03/08/98/712030898.db2.gz LHRPCWZOUNQJPM-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H]([NH2+]Cc1ncn(C)n1)C1(Cl)CC1 ZINC000702366394 712048651 /nfs/dbraw/zinc/04/86/51/712048651.db2.gz YIUBURSPJSQVBU-ZETCQYMHSA-N 1 2 214.700 1.065 20 0 BDADLO C[N@@H+](Cc1csc(Cl)n1)C[C@H]1C[C@@H](O)C1 ZINC000703676746 712083551 /nfs/dbraw/zinc/08/35/51/712083551.db2.gz WAKQYSIKQRZYQV-OTSSQURYSA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1csc(Cl)n1)C[C@H]1C[C@@H](O)C1 ZINC000703676746 712083553 /nfs/dbraw/zinc/08/35/53/712083553.db2.gz WAKQYSIKQRZYQV-OTSSQURYSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703953489 712092663 /nfs/dbraw/zinc/09/26/63/712092663.db2.gz PUUNGEQYNMRBLU-LBPRGKRZSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(N)nn1 ZINC000703953489 712092664 /nfs/dbraw/zinc/09/26/64/712092664.db2.gz PUUNGEQYNMRBLU-LBPRGKRZSA-N 1 2 236.319 1.060 20 0 BDADLO Nc1ccc(C[N@@H+]2CCc3sccc3C2)nn1 ZINC000703964637 712097544 /nfs/dbraw/zinc/09/75/44/712097544.db2.gz DUDYQJHUTPUDIH-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ccc(C[N@H+]2CCc3sccc3C2)nn1 ZINC000703964637 712097546 /nfs/dbraw/zinc/09/75/46/712097546.db2.gz DUDYQJHUTPUDIH-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO C[N@H+](Cc1ccccn1)Cc1ccc(N)nn1 ZINC000703985251 712097827 /nfs/dbraw/zinc/09/78/27/712097827.db2.gz XLPKJJUMHVWYNQ-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1ccccn1)Cc1ccc(N)nn1 ZINC000703985251 712097828 /nfs/dbraw/zinc/09/78/28/712097828.db2.gz XLPKJJUMHVWYNQ-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@@H](O)CC2)cc1Cl ZINC000707060982 712164646 /nfs/dbraw/zinc/16/46/46/712164646.db2.gz CDIXWGSRUHIWDW-SNVBAGLBSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@@H](O)CC2)cc1Cl ZINC000707060982 712164647 /nfs/dbraw/zinc/16/46/47/712164647.db2.gz CDIXWGSRUHIWDW-SNVBAGLBSA-N 1 2 243.738 1.420 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000707262429 712167828 /nfs/dbraw/zinc/16/78/28/712167828.db2.gz WAVTXGIAPJZCEZ-JMEBYUIHSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000707262429 712167829 /nfs/dbraw/zinc/16/78/29/712167829.db2.gz WAVTXGIAPJZCEZ-JMEBYUIHSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOCC12CCC2 ZINC000707300093 712169273 /nfs/dbraw/zinc/16/92/73/712169273.db2.gz XVWVGOPNRMNEPW-HWKANZROSA-N 1 2 239.315 1.361 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOCC12CCC2 ZINC000707300093 712169276 /nfs/dbraw/zinc/16/92/76/712169276.db2.gz XVWVGOPNRMNEPW-HWKANZROSA-N 1 2 239.315 1.361 20 0 BDADLO CCCOC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000707429245 712170020 /nfs/dbraw/zinc/17/00/20/712170020.db2.gz BBCMFMUWLVENER-UHFFFAOYSA-N 1 2 209.249 1.286 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C(C)(F)F ZINC001079350506 712347994 /nfs/dbraw/zinc/34/79/94/712347994.db2.gz ZMQQBNDDCPVNNG-HTQZYQBOSA-N 1 2 238.253 1.048 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C(C)(F)F ZINC001079350506 712347995 /nfs/dbraw/zinc/34/79/95/712347995.db2.gz ZMQQBNDDCPVNNG-HTQZYQBOSA-N 1 2 238.253 1.048 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccncc2Cl)C1 ZINC000379112202 712369704 /nfs/dbraw/zinc/36/97/04/712369704.db2.gz KDHXQAKKHIXEBC-UHFFFAOYSA-N 1 2 239.706 1.169 20 0 BDADLO CN(C)c1ccc([NH2+]C2CCN(C=O)CC2)cc1 ZINC000774313753 712415539 /nfs/dbraw/zinc/41/55/39/712415539.db2.gz KFSFVZGXWFMIFA-UHFFFAOYSA-N 1 2 247.342 1.785 20 0 BDADLO C[NH+](C)c1ccc(NC2CCN(C=O)CC2)cc1 ZINC000774313753 712415540 /nfs/dbraw/zinc/41/55/40/712415540.db2.gz KFSFVZGXWFMIFA-UHFFFAOYSA-N 1 2 247.342 1.785 20 0 BDADLO CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000782153776 712417564 /nfs/dbraw/zinc/41/75/64/712417564.db2.gz FZYAIKYKPQRJFD-UHFFFAOYSA-N 1 2 248.330 1.687 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712442815 712429876 /nfs/dbraw/zinc/42/98/76/712429876.db2.gz LBYRGIPDBBRGOI-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712442815 712429878 /nfs/dbraw/zinc/42/98/78/712429878.db2.gz LBYRGIPDBBRGOI-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO C[C@]1(C(F)(F)F)C[N@H+](CCCO)CCO1 ZINC000712797452 712449145 /nfs/dbraw/zinc/44/91/45/712449145.db2.gz STAXSOPIFUYLEA-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO C[C@]1(C(F)(F)F)C[N@@H+](CCCO)CCO1 ZINC000712797452 712449147 /nfs/dbraw/zinc/44/91/47/712449147.db2.gz STAXSOPIFUYLEA-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715414774 712517662 /nfs/dbraw/zinc/51/76/62/712517662.db2.gz NKNVAYSLFAJKQZ-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715414774 712517663 /nfs/dbraw/zinc/51/76/63/712517663.db2.gz NKNVAYSLFAJKQZ-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccns1 ZINC000715925000 712543054 /nfs/dbraw/zinc/54/30/54/712543054.db2.gz AQOIEIJFOUUIRC-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO Cc1nc(N[C@@H]2CCCC23OCCO3)cc[nH+]1 ZINC000716032728 712547473 /nfs/dbraw/zinc/54/74/73/712547473.db2.gz KAROIMMAYRDQPI-SNVBAGLBSA-N 1 2 235.287 1.493 20 0 BDADLO Clc1cnc(C[NH2+]CC2OCCCO2)s1 ZINC000716394523 712557963 /nfs/dbraw/zinc/55/79/63/712557963.db2.gz OZSXOGPFPUCQHL-UHFFFAOYSA-N 1 2 248.735 1.649 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000716485410 712565591 /nfs/dbraw/zinc/56/55/91/712565591.db2.gz NJDFFCRNZQLDKJ-SASUGWTJSA-N 1 2 245.326 1.572 20 0 BDADLO CCCOC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000859080492 712617639 /nfs/dbraw/zinc/61/76/39/712617639.db2.gz LTEWVLHEJBBHQF-SNVBAGLBSA-N 1 2 237.303 1.756 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC=CO1 ZINC000379982858 712643873 /nfs/dbraw/zinc/64/38/73/712643873.db2.gz ZYNAUOZXCHDOBQ-SECBINFHSA-N 1 2 245.286 1.468 20 0 BDADLO CC1(C)CO[C@H](C[NH2+]Cc2ccn[nH]2)C1 ZINC000717393409 712653438 /nfs/dbraw/zinc/65/34/38/712653438.db2.gz IWFUHJGODUYLHX-JTQLQIEISA-N 1 2 209.293 1.314 20 0 BDADLO CNc1cc(N[C@H](CO)C2CCC2)nc[nH+]1 ZINC000717656878 712663695 /nfs/dbraw/zinc/66/36/95/712663695.db2.gz AHLLHOQUKMLICX-SECBINFHSA-N 1 2 222.292 1.091 20 0 BDADLO CNc1cc(N[C@H](CO)C2CCC2)[nH+]cn1 ZINC000717656878 712663696 /nfs/dbraw/zinc/66/36/96/712663696.db2.gz AHLLHOQUKMLICX-SECBINFHSA-N 1 2 222.292 1.091 20 0 BDADLO C[NH+](C)c1ccc(N[C@H]2CCCNC(=O)C2)cc1 ZINC000111825723 712688114 /nfs/dbraw/zinc/68/81/14/712688114.db2.gz ZPPMFEJBXXTSEK-LBPRGKRZSA-N 1 2 247.342 1.833 20 0 BDADLO CN(C)c1ccc([NH2+][C@H]2CCCNC(=O)C2)cc1 ZINC000111825723 712688117 /nfs/dbraw/zinc/68/81/17/712688117.db2.gz ZPPMFEJBXXTSEK-LBPRGKRZSA-N 1 2 247.342 1.833 20 0 BDADLO CCn1nncc1C[N@@H+]1CCn2cccc2C1 ZINC000932523468 712717726 /nfs/dbraw/zinc/71/77/26/712717726.db2.gz AUGPLTATTUEOTD-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1nncc1C[N@H+]1CCn2cccc2C1 ZINC000932523468 712717729 /nfs/dbraw/zinc/71/77/29/712717729.db2.gz AUGPLTATTUEOTD-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO c1cc2n(c1)CC[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000932523719 712717737 /nfs/dbraw/zinc/71/77/37/712717737.db2.gz BLQVSBVRZNIZPL-CYBMUJFWSA-N 1 2 236.315 1.109 20 0 BDADLO c1cc2n(c1)CC[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000932523719 712717739 /nfs/dbraw/zinc/71/77/39/712717739.db2.gz BLQVSBVRZNIZPL-CYBMUJFWSA-N 1 2 236.315 1.109 20 0 BDADLO CC[C@H](O[NH+]=C(N)Cc1ccccc1C)C(N)=O ZINC000159449740 712723536 /nfs/dbraw/zinc/72/35/36/712723536.db2.gz ZACZHVJCJJJYJQ-NSHDSACASA-N 1 2 249.314 1.090 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](CCO)C2CC2)[nH+]1 ZINC000081004440 712728714 /nfs/dbraw/zinc/72/87/14/712728714.db2.gz PGUPLJGZZJDXLW-NSHDSACASA-N 1 2 246.314 1.839 20 0 BDADLO CC(C)(C)S(=O)(=O)CCCn1cc[nH+]c1 ZINC000719169652 712799759 /nfs/dbraw/zinc/79/97/59/712799759.db2.gz IDAQWRZGJCMWND-UHFFFAOYSA-N 1 2 230.333 1.487 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](C)C(C)(C)OC ZINC000720102779 712828163 /nfs/dbraw/zinc/82/81/63/712828163.db2.gz PPDXXQZKJLQNAN-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1cn(C)nn1 ZINC000720581215 712854220 /nfs/dbraw/zinc/85/42/20/712854220.db2.gz BLKPCJSKLBZYSW-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@H](C(=O)NCc1ccc(N)[nH+]c1)[C@H]1CCCO1 ZINC000720608523 712858558 /nfs/dbraw/zinc/85/85/58/712858558.db2.gz BUFTWKYNWZGNIP-GXSJLCMTSA-N 1 2 249.314 1.095 20 0 BDADLO O=C(NC[C@H]1CC[N@@H+]1Cc1cccnc1)C1CC1 ZINC001037980653 712896149 /nfs/dbraw/zinc/89/61/49/712896149.db2.gz NCFVTSWUSDOPKJ-CYBMUJFWSA-N 1 2 245.326 1.182 20 0 BDADLO O=C(NC[C@H]1CC[N@H+]1Cc1cccnc1)C1CC1 ZINC001037980653 712896150 /nfs/dbraw/zinc/89/61/50/712896150.db2.gz NCFVTSWUSDOPKJ-CYBMUJFWSA-N 1 2 245.326 1.182 20 0 BDADLO Cc1nc(N[C@@H]2CC23CCC3)nc(N)[nH+]1 ZINC000721188964 712896782 /nfs/dbraw/zinc/89/67/82/712896782.db2.gz PGEHYPWGWCHYHI-SSDOTTSWSA-N 1 2 205.265 1.117 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC23CCC3)[nH+]1 ZINC000721188964 712896784 /nfs/dbraw/zinc/89/67/84/712896784.db2.gz PGEHYPWGWCHYHI-SSDOTTSWSA-N 1 2 205.265 1.117 20 0 BDADLO [NH3+][C@H](CC(=O)NC[C@]12C[C@H]1CCC2)C(F)F ZINC000724761939 959424187 /nfs/dbraw/zinc/42/41/87/959424187.db2.gz KSRGFEQRPJOFEJ-XLDPMVHQSA-N 1 2 232.274 1.275 20 0 BDADLO CC(C)C(C)(C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724772505 959430063 /nfs/dbraw/zinc/43/00/63/959430063.db2.gz RHHBKBXMQMNBCM-SSDOTTSWSA-N 1 2 222.279 1.520 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC001140988237 960154006 /nfs/dbraw/zinc/15/40/06/960154006.db2.gz SWLPPRSOPUNZAE-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC001140988237 960154015 /nfs/dbraw/zinc/15/40/15/960154015.db2.gz SWLPPRSOPUNZAE-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cncn2C)o1 ZINC000397904710 960533832 /nfs/dbraw/zinc/53/38/32/960533832.db2.gz DFYYGXCZZHAKPB-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)n[nH]1 ZINC001203069933 960613208 /nfs/dbraw/zinc/61/32/08/960613208.db2.gz FSTTZXWMROKQPZ-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@@](O)(CF)C2)n[nH]1 ZINC001203069933 960613215 /nfs/dbraw/zinc/61/32/15/960613215.db2.gz FSTTZXWMROKQPZ-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)n[nH]1 ZINC001203076624 960687232 /nfs/dbraw/zinc/68/72/32/960687232.db2.gz HDTACVMZSRUCIA-ONGXEEELSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)n[nH]1 ZINC001203076624 960687245 /nfs/dbraw/zinc/68/72/45/960687245.db2.gz HDTACVMZSRUCIA-ONGXEEELSA-N 1 2 209.293 1.063 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001222595114 960719801 /nfs/dbraw/zinc/71/98/01/960719801.db2.gz PCEIPIAHHBRGFP-UMNHJUIQSA-N 1 2 204.273 1.901 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2ncco2)C1 ZINC001141008656 960810298 /nfs/dbraw/zinc/81/02/98/960810298.db2.gz HPNGDKVIGRKGHH-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC001141008656 960810300 /nfs/dbraw/zinc/81/03/00/960810300.db2.gz HPNGDKVIGRKGHH-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO CCCCc1[nH]c(CN2CC(=O)C2)c[nH+]1 ZINC001141071695 960861120 /nfs/dbraw/zinc/86/11/20/960861120.db2.gz ATBRRYBINLTWPA-UHFFFAOYSA-N 1 2 207.277 1.137 20 0 BDADLO CCCCc1[nH]cc(CN2CC(=O)C2)[nH+]1 ZINC001141071695 960861122 /nfs/dbraw/zinc/86/11/22/960861122.db2.gz ATBRRYBINLTWPA-UHFFFAOYSA-N 1 2 207.277 1.137 20 0 BDADLO [NH2+]=CNc1cc(O[C@H]2CCOC2)ccn1 ZINC001167871436 961379684 /nfs/dbraw/zinc/37/96/84/961379684.db2.gz PCPXTOXIXSOURH-VIFPVBQESA-N 1 2 207.233 1.268 20 0 BDADLO CC(=O)N[C@H](C)C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001268718993 962313233 /nfs/dbraw/zinc/31/32/33/962313233.db2.gz GCXPZORPEWAZIF-MRVPVSSYSA-N 1 2 239.319 1.248 20 0 BDADLO CC(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001268718993 962313252 /nfs/dbraw/zinc/31/32/52/962313252.db2.gz GCXPZORPEWAZIF-MRVPVSSYSA-N 1 2 239.319 1.248 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccc(O)cn2)C[C@@H](C)O1 ZINC000132465737 962435570 /nfs/dbraw/zinc/43/55/70/962435570.db2.gz GPOBTVJHJPLADR-NXEZZACHSA-N 1 2 222.288 1.396 20 0 BDADLO CC[C@@H](F)C(=O)N(C)C1C[NH+](CC=C(C)C)C1 ZINC001269831144 962798813 /nfs/dbraw/zinc/79/88/13/962798813.db2.gz DKUIOHMECKBTQI-GFCCVEGCSA-N 1 2 242.338 1.843 20 0 BDADLO C[N@H+](Cc1cncs1)Cc1cnc(N)s1 ZINC000400125380 962917436 /nfs/dbraw/zinc/91/74/36/962917436.db2.gz RSDSBYZYLRMHLF-UHFFFAOYSA-N 1 2 240.357 1.644 20 0 BDADLO C[N@@H+](Cc1cncs1)Cc1cnc(N)s1 ZINC000400125380 962917452 /nfs/dbraw/zinc/91/74/52/962917452.db2.gz RSDSBYZYLRMHLF-UHFFFAOYSA-N 1 2 240.357 1.644 20 0 BDADLO C=Cc1ccc(NC[C@H](C)CNC(C)=O)[nH+]c1 ZINC001160657617 964380534 /nfs/dbraw/zinc/38/05/34/964380534.db2.gz ZKQOQUOLWNNKFJ-SNVBAGLBSA-N 1 2 233.315 1.909 20 0 BDADLO COC(OC)c1cc(C)c[nH+]c1N(C)C ZINC001163572981 965457897 /nfs/dbraw/zinc/45/78/97/965457897.db2.gz UXNLBAAKDIIDBR-UHFFFAOYSA-N 1 2 210.277 1.747 20 0 BDADLO [NH3+]CCON=c1nc(Cl)[nH]c2c1CCS2 ZINC001164414913 965876128 /nfs/dbraw/zinc/87/61/28/965876128.db2.gz NYKIKJAUBVIECN-UHFFFAOYSA-N 1 2 246.723 1.080 20 0 BDADLO CSCc1cc[nH+]c(N2CC[C@](C)(O)C2)c1 ZINC001165232054 965995812 /nfs/dbraw/zinc/99/58/12/965995812.db2.gz PWZRGXPUTJVDPU-LBPRGKRZSA-N 1 2 238.356 1.906 20 0 BDADLO COc1cncc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000699865277 966155161 /nfs/dbraw/zinc/15/51/61/966155161.db2.gz MPECBHASFZYENV-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3ccc[nH]3)C2)C1 ZINC001204008559 966849385 /nfs/dbraw/zinc/84/93/85/966849385.db2.gz ICBCBLBKBZHQIK-JTQLQIEISA-N 1 2 223.295 1.243 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3ccc[nH]3)C2)C1 ZINC001204008559 966849388 /nfs/dbraw/zinc/84/93/88/966849388.db2.gz ICBCBLBKBZHQIK-JTQLQIEISA-N 1 2 223.295 1.243 20 0 BDADLO Cn1nccc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001206355563 968251922 /nfs/dbraw/zinc/25/19/22/968251922.db2.gz ROKRBRALWOJVGH-SECBINFHSA-N 1 2 241.335 1.450 20 0 BDADLO COc1ccc(C)[nH+]c1N(C)C1(C)COC1 ZINC001166985407 968412850 /nfs/dbraw/zinc/41/28/50/968412850.db2.gz XNEPIOJCEUICBT-UHFFFAOYSA-N 1 2 222.288 1.624 20 0 BDADLO CC(C)[N@H+](CCCO)Cc1c(F)cncc1F ZINC001206860674 968505025 /nfs/dbraw/zinc/50/50/25/968505025.db2.gz JDSHYRLNTWYLQC-UHFFFAOYSA-N 1 2 244.285 1.953 20 0 BDADLO CC(C)[N@@H+](CCCO)Cc1c(F)cncc1F ZINC001206860674 968505031 /nfs/dbraw/zinc/50/50/31/968505031.db2.gz JDSHYRLNTWYLQC-UHFFFAOYSA-N 1 2 244.285 1.953 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001252111478 968595430 /nfs/dbraw/zinc/59/54/30/968595430.db2.gz WGPMQPYQCVOWOX-NEPJUHHUSA-N 1 2 245.363 1.859 20 0 BDADLO CCCC[N@@H+](CC(=O)OCC)CC(OC)OC ZINC001207256954 968698392 /nfs/dbraw/zinc/69/83/92/968698392.db2.gz QGSZNZCXLBKIGN-UHFFFAOYSA-N 1 2 247.335 1.271 20 0 BDADLO CCCC[N@H+](CC(=O)OCC)CC(OC)OC ZINC001207256954 968698397 /nfs/dbraw/zinc/69/83/97/968698397.db2.gz QGSZNZCXLBKIGN-UHFFFAOYSA-N 1 2 247.335 1.271 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001085764903 968848244 /nfs/dbraw/zinc/84/82/44/968848244.db2.gz JAIZBZIETMKJLY-OUAUKWLOSA-N 1 2 228.311 1.145 20 0 BDADLO COCOCCC[N@@H+]1Cc2cccnc2C1 ZINC001209024035 969320582 /nfs/dbraw/zinc/32/05/82/969320582.db2.gz SQRREEMFIMEISA-UHFFFAOYSA-N 1 2 222.288 1.408 20 0 BDADLO COCOCCC[N@H+]1Cc2cccnc2C1 ZINC001209024035 969320585 /nfs/dbraw/zinc/32/05/85/969320585.db2.gz SQRREEMFIMEISA-UHFFFAOYSA-N 1 2 222.288 1.408 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC001253742029 969362010 /nfs/dbraw/zinc/36/20/10/969362010.db2.gz SWWRIDWIIVPXQO-QWRGUYRKSA-N 1 2 245.363 1.715 20 0 BDADLO c1ncc(C[N@@H+]2CCCC23COC3)s1 ZINC001209549611 969537258 /nfs/dbraw/zinc/53/72/58/969537258.db2.gz AMCLHZRDLNDRSS-UHFFFAOYSA-N 1 2 210.302 1.508 20 0 BDADLO c1ncc(C[N@H+]2CCCC23COC3)s1 ZINC001209549611 969537261 /nfs/dbraw/zinc/53/72/61/969537261.db2.gz AMCLHZRDLNDRSS-UHFFFAOYSA-N 1 2 210.302 1.508 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CCCOC1)[C@@H](C)CC ZINC001254369828 969582643 /nfs/dbraw/zinc/58/26/43/969582643.db2.gz KJBRVDHVAJGKJZ-QJPTWQEYSA-N 1 2 243.347 1.733 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001169462383 969661777 /nfs/dbraw/zinc/66/17/77/969661777.db2.gz FJWQXJDQGFXYOZ-MXWKQRLJSA-N 1 2 248.317 1.625 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001169462383 969661790 /nfs/dbraw/zinc/66/17/90/969661790.db2.gz FJWQXJDQGFXYOZ-MXWKQRLJSA-N 1 2 248.317 1.625 20 0 BDADLO C[C@H](CC(F)(F)F)[NH+]1CC(N2CC(F)C2)C1 ZINC001255645499 970421513 /nfs/dbraw/zinc/42/15/13/970421513.db2.gz FKNAKRKPJTVRGE-SSDOTTSWSA-N 1 2 240.244 1.665 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC001173265923 975128792 /nfs/dbraw/zinc/12/87/92/975128792.db2.gz WFXNWVMHIOCVGW-VWYCJHECSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1cc(F)ncc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001228590994 976359307 /nfs/dbraw/zinc/35/93/07/976359307.db2.gz GTIZHMWWNAQPGU-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO Cc1cc(F)ncc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001228590994 976359322 /nfs/dbraw/zinc/35/93/22/976359322.db2.gz GTIZHMWWNAQPGU-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO Cn1cc(Cn2c[nH+]c(C(C)(C)C)c2)nn1 ZINC001335497661 977098352 /nfs/dbraw/zinc/09/83/52/977098352.db2.gz MKMSCWLBZSWNAP-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO CCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001230561444 977253790 /nfs/dbraw/zinc/25/37/90/977253790.db2.gz CXFWSYUPRXIENQ-AYYIZTPMSA-N 1 2 230.739 1.682 20 0 BDADLO CCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001230561444 977253803 /nfs/dbraw/zinc/25/38/03/977253803.db2.gz CXFWSYUPRXIENQ-AYYIZTPMSA-N 1 2 230.739 1.682 20 0 BDADLO Cc1cc(F)cc(N2CCO[C@@H](C)C2)[nH+]1 ZINC001336466524 977705133 /nfs/dbraw/zinc/70/51/33/977705133.db2.gz TULPYCHJELSMSK-VIFPVBQESA-N 1 2 210.252 1.754 20 0 BDADLO CSc1ccccc1C[NH+]1CC(O)C1 ZINC001231783992 977749171 /nfs/dbraw/zinc/74/91/71/977749171.db2.gz LNSPZXXTJZFRHU-UHFFFAOYSA-N 1 2 209.314 1.585 20 0 BDADLO C[C@H]1CCN(c2cc(N)nc[nH+]2)C[C@@H]1F ZINC001337918215 978563152 /nfs/dbraw/zinc/56/31/52/978563152.db2.gz ZPJKVVMDGYKQID-YUMQZZPRSA-N 1 2 210.256 1.243 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc(Cl)n2)CC[C@H]1O ZINC001233446963 978601311 /nfs/dbraw/zinc/60/13/11/978601311.db2.gz PHMPCCPWYJETBA-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446617 978602684 /nfs/dbraw/zinc/60/26/84/978602684.db2.gz BTRIWAQIAFDKLP-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446617 978602688 /nfs/dbraw/zinc/60/26/88/978602688.db2.gz BTRIWAQIAFDKLP-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)sc1C ZINC001233646385 978659618 /nfs/dbraw/zinc/65/96/18/978659618.db2.gz PTSNMPBNWDLHGU-UHFFFAOYSA-N 1 2 238.356 1.639 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)sc1C ZINC001233646385 978659623 /nfs/dbraw/zinc/65/96/23/978659623.db2.gz PTSNMPBNWDLHGU-UHFFFAOYSA-N 1 2 238.356 1.639 20 0 BDADLO CCOc1nccc(OC2C[NH+](C(C)C)C2)n1 ZINC001234436294 978836451 /nfs/dbraw/zinc/83/64/51/978836451.db2.gz VXRKFXNCURVRJR-UHFFFAOYSA-N 1 2 237.303 1.347 20 0 BDADLO CCOC(=[NH2+])c1ccc(OC(=O)[C@H](C)O)cc1 ZINC001234584228 978864288 /nfs/dbraw/zinc/86/42/88/978864288.db2.gz BHPWODWGZOUFLH-QMMMGPOBSA-N 1 2 237.255 1.335 20 0 BDADLO [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(S)cc2)C1 ZINC001206446336 979029239 /nfs/dbraw/zinc/02/92/39/979029239.db2.gz UEQOINYWUJTDNF-QWRGUYRKSA-N 1 2 240.347 1.846 20 0 BDADLO C[C@@H](C[NH2+][C@H]1CC[C@@H](CC(=O)[O-])[C@H]1C)[NH+](C)C ZINC001604642244 979690967 /nfs/dbraw/zinc/69/09/67/979690967.db2.gz AVFBAMBFQUCIDC-USZNOCQGSA-N 1 2 242.363 1.416 20 0 BDADLO S=C1C=COC1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001237186750 979837086 /nfs/dbraw/zinc/83/70/86/979837086.db2.gz PFLWSUYFJXLNGC-SECBINFHSA-N 1 2 224.329 1.458 20 0 BDADLO S=C1C=COC1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001237186750 979837092 /nfs/dbraw/zinc/83/70/92/979837092.db2.gz PFLWSUYFJXLNGC-SECBINFHSA-N 1 2 224.329 1.458 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCN2CC[C@@H]2C1 ZINC001237186750 979837095 /nfs/dbraw/zinc/83/70/95/979837095.db2.gz PFLWSUYFJXLNGC-SECBINFHSA-N 1 2 224.329 1.458 20 0 BDADLO S=C1C=COC1C[N@H+]1CCN2CC[C@@H]2C1 ZINC001237186750 979837098 /nfs/dbraw/zinc/83/70/98/979837098.db2.gz PFLWSUYFJXLNGC-SECBINFHSA-N 1 2 224.329 1.458 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C[NH2+]C1(CC(=O)[O-])CCCC1 ZINC001606228998 979977104 /nfs/dbraw/zinc/97/71/04/979977104.db2.gz SBPNCBDWYUPKKJ-LLVKDONJSA-N 1 2 240.347 1.458 20 0 BDADLO C[N@H+]1CCC[C@@H]1C[NH2+]C1(CC(=O)[O-])CCCC1 ZINC001606228998 979977107 /nfs/dbraw/zinc/97/71/07/979977107.db2.gz SBPNCBDWYUPKKJ-LLVKDONJSA-N 1 2 240.347 1.458 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](CC)C1CN(C)C1 ZINC001237651865 980003519 /nfs/dbraw/zinc/00/35/19/980003519.db2.gz AKNJDWQCXUMJHD-UHFFFAOYSA-N 1 2 222.336 1.108 20 0 BDADLO CCc1n[nH]cc1C[N@H+](CC)C1CN(C)C1 ZINC001237651865 980003529 /nfs/dbraw/zinc/00/35/29/980003529.db2.gz AKNJDWQCXUMJHD-UHFFFAOYSA-N 1 2 222.336 1.108 20 0 BDADLO C[C@@H]([NH3+])CONC(=O)[C@@H](C)c1cccs1 ZINC001343798648 980245567 /nfs/dbraw/zinc/24/55/67/980245567.db2.gz PFUDNXDWNRQCBO-SFYZADRCSA-N 1 2 228.317 1.247 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1nc(C2CC2)c[nH]1)C(F)F ZINC001344397982 980388482 /nfs/dbraw/zinc/38/84/82/980388482.db2.gz BKFKFHUNIXWZCU-LURJTMIESA-N 1 2 244.245 1.208 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC(F)(F)F ZINC001345577483 980636337 /nfs/dbraw/zinc/63/63/37/980636337.db2.gz UVJFLTFFNZJWPM-UHFFFAOYSA-N 1 2 235.209 1.031 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)OCc1c[nH+]cn1CC ZINC001345590333 980638950 /nfs/dbraw/zinc/63/89/50/980638950.db2.gz MUEQSKBYHCQALM-MNOVXSKESA-N 1 2 238.287 1.371 20 0 BDADLO Cc1ccc(CC[NH+]2CCOCC2)c(O)c1 ZINC001250278112 980650127 /nfs/dbraw/zinc/65/01/27/980650127.db2.gz VPRCALQVNZPEFE-UHFFFAOYSA-N 1 2 221.300 1.575 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H](C3CCC3)C2)[nH]1 ZINC001347120295 980976708 /nfs/dbraw/zinc/97/67/08/980976708.db2.gz MCQOATIUNFIQQQ-JTQLQIEISA-N 1 2 206.293 1.427 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H](C3CCC3)C2)[nH]1 ZINC001347120295 980976720 /nfs/dbraw/zinc/97/67/20/980976720.db2.gz MCQOATIUNFIQQQ-JTQLQIEISA-N 1 2 206.293 1.427 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H](C3CCC3)C2)[nH]1 ZINC001347120296 980977553 /nfs/dbraw/zinc/97/75/53/980977553.db2.gz MCQOATIUNFIQQQ-SNVBAGLBSA-N 1 2 206.293 1.427 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H](C3CCC3)C2)[nH]1 ZINC001347120296 980977556 /nfs/dbraw/zinc/97/75/56/980977556.db2.gz MCQOATIUNFIQQQ-SNVBAGLBSA-N 1 2 206.293 1.427 20 0 BDADLO CNc1cc(Cc2ccnn2C)cc[nH+]1 ZINC001250438565 981089427 /nfs/dbraw/zinc/08/94/27/981089427.db2.gz SKHVCYBJQAUTMW-UHFFFAOYSA-N 1 2 202.261 1.448 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735194 981155934 /nfs/dbraw/zinc/15/59/34/981155934.db2.gz HGBJSEBQUSWDIR-GHMZBOCLSA-N 1 2 235.331 1.371 20 0 BDADLO COCCn1c[nH+]cc1CNC(=O)OC(C)C ZINC001193502978 981361890 /nfs/dbraw/zinc/36/18/90/981361890.db2.gz LVIBDDRJHKELTK-UHFFFAOYSA-N 1 2 241.291 1.164 20 0 BDADLO CC[C@@H](OC)C(=O)OCCCc1c[nH+]cn1C ZINC001348626916 981409491 /nfs/dbraw/zinc/40/94/91/981409491.db2.gz UCPDUHGWOHWAMG-LLVKDONJSA-N 1 2 240.303 1.321 20 0 BDADLO CO[C@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791302 981742794 /nfs/dbraw/zinc/74/27/94/981742794.db2.gz HCWFVAWVIBLAEK-SECBINFHSA-N 1 2 208.261 1.094 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnc(C)o2)o1 ZINC001352066649 982450569 /nfs/dbraw/zinc/45/05/69/982450569.db2.gz RNGRHEANRWDCFG-UHFFFAOYSA-N 1 2 222.244 1.874 20 0 BDADLO CC[C@H](C)CNC(=S)NCc1c[nH+]cn1C ZINC001200235182 982718863 /nfs/dbraw/zinc/71/88/63/982718863.db2.gz QTJMNKJCILUWTC-VIFPVBQESA-N 1 2 240.376 1.430 20 0 BDADLO CCOCCOCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001354600277 983329138 /nfs/dbraw/zinc/32/91/38/983329138.db2.gz KSZXYKXOXXYYEM-VIFPVBQESA-N 1 2 243.307 1.082 20 0 BDADLO FC1CC[NH+](C2CN(CC(F)(F)F)C2)CC1 ZINC001202028109 983535491 /nfs/dbraw/zinc/53/54/91/983535491.db2.gz QZLRKOHBUUPDEH-UHFFFAOYSA-N 1 2 240.244 1.667 20 0 BDADLO COC[C@H](C)OC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000866503220 983857201 /nfs/dbraw/zinc/85/72/01/983857201.db2.gz OYVKBCQKHZYPGC-UWVGGRQHSA-N 1 2 241.291 1.033 20 0 BDADLO CCC[C@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252789291 983885920 /nfs/dbraw/zinc/88/59/20/983885920.db2.gz PUJQXZWOTSGFCS-VIFPVBQESA-N 1 2 235.274 1.257 20 0 BDADLO CC(C)COCC[C@H](C)[N@@H+]1CCC(=O)C1 ZINC001172477031 974773895 /nfs/dbraw/zinc/77/38/95/974773895.db2.gz VJBMZWWWPFNZFZ-NSHDSACASA-N 1 2 213.321 1.712 20 0 BDADLO CC(C)COCC[C@H](C)[N@H+]1CCC(=O)C1 ZINC001172477031 974773900 /nfs/dbraw/zinc/77/39/00/974773900.db2.gz VJBMZWWWPFNZFZ-NSHDSACASA-N 1 2 213.321 1.712 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)nn1 ZINC001327721786 972715888 /nfs/dbraw/zinc/71/58/88/972715888.db2.gz IGNWOZVPVVYNAE-KOLCDFICSA-N 1 2 206.293 1.453 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)nn1 ZINC001327721786 972715901 /nfs/dbraw/zinc/71/59/01/972715901.db2.gz IGNWOZVPVVYNAE-KOLCDFICSA-N 1 2 206.293 1.453 20 0 BDADLO CC(C)n1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001256401638 970808950 /nfs/dbraw/zinc/80/89/50/970808950.db2.gz JKUNWEZPUCYACY-SNVBAGLBSA-N 1 2 247.302 1.860 20 0 BDADLO COC(C)(CNc1ccn2cc[nH+]c2c1)OC ZINC001170438139 970822623 /nfs/dbraw/zinc/82/26/23/970822623.db2.gz XLUBGZLTIXGSPQ-UHFFFAOYSA-N 1 2 235.287 1.755 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001129537687 970853001 /nfs/dbraw/zinc/85/30/01/970853001.db2.gz AZCMTTSRZXYDHQ-SNVBAGLBSA-N 1 2 223.320 1.371 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ncccn1 ZINC001129593978 970863924 /nfs/dbraw/zinc/86/39/24/970863924.db2.gz JCUBVZHIHDPKGB-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)ccc(F)c2F)C[C@@H]1O ZINC001137926852 970950836 /nfs/dbraw/zinc/95/08/36/970950836.db2.gz DOMHXBADNOTAOT-CPCISQLKSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2F)C[C@@H]1O ZINC001137926852 970950842 /nfs/dbraw/zinc/95/08/42/970950842.db2.gz DOMHXBADNOTAOT-CPCISQLKSA-N 1 2 245.244 1.917 20 0 BDADLO CC(=O)OC1C[NH+]([C@@H](C)Cc2ccncc2)C1 ZINC001256740215 970975170 /nfs/dbraw/zinc/97/51/70/970975170.db2.gz FRTFBJZZWPEXBV-JTQLQIEISA-N 1 2 234.299 1.260 20 0 BDADLO COc1ccc2ccc(NCCC(N)=O)[nH+]c2c1 ZINC001158107015 971073954 /nfs/dbraw/zinc/07/39/54/971073954.db2.gz QADKRHKNWHRASE-UHFFFAOYSA-N 1 2 245.282 1.531 20 0 BDADLO Nc1ccc(-c2ccc3nc(N)ncc3c2)c[nH+]1 ZINC001243991817 971078274 /nfs/dbraw/zinc/07/82/74/971078274.db2.gz VMGZPWYQDFADCX-UHFFFAOYSA-N 1 2 237.266 1.856 20 0 BDADLO CCC[C@H](CC)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001257247097 971139890 /nfs/dbraw/zinc/13/98/90/971139890.db2.gz PQROUFLPPXJOGR-VWYCJHECSA-N 1 2 231.336 1.467 20 0 BDADLO CCC[C@H](CC)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001257248964 971143520 /nfs/dbraw/zinc/14/35/20/971143520.db2.gz PQROUFLPPXJOGR-OUAUKWLOSA-N 1 2 231.336 1.467 20 0 BDADLO CCC[C@H](CC)[N@@H+]1CCN(C)C[C@@H]1C(=O)OC ZINC001257268285 971171553 /nfs/dbraw/zinc/17/15/53/971171553.db2.gz FUMCGYRFKRKMOF-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@H](CC)[N@H+]1CCN(C)C[C@@H]1C(=O)OC ZINC001257268285 971171559 /nfs/dbraw/zinc/17/15/59/971171559.db2.gz FUMCGYRFKRKMOF-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1ccc(C[S@](=O)Cc2cc[nH]n2)c(C)[nH+]1 ZINC000887371640 971184032 /nfs/dbraw/zinc/18/40/32/971184032.db2.gz ZZKSRRJXNYIAPB-KRWDZBQOSA-N 1 2 249.339 1.870 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCn3cncc3C2)C1 ZINC001170562078 971187063 /nfs/dbraw/zinc/18/70/63/971187063.db2.gz WVQKFFUSXDRDEA-GHMZBOCLSA-N 1 2 249.314 1.040 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCn3cncc3C2)C1 ZINC001170562078 971187070 /nfs/dbraw/zinc/18/70/70/971187070.db2.gz WVQKFFUSXDRDEA-GHMZBOCLSA-N 1 2 249.314 1.040 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnc[nH]2)c(F)c1 ZINC000404980447 971189343 /nfs/dbraw/zinc/18/93/43/971189343.db2.gz CHXRPAWUYIRNID-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO CCCC(CCC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257334499 971239779 /nfs/dbraw/zinc/23/97/79/971239779.db2.gz YBMUZHKLLOYWHB-ZDUSSCGKSA-N 1 2 243.347 1.877 20 0 BDADLO CCCC(CCC)[NH+]1CC(F)(CO)C1 ZINC001257335524 971242368 /nfs/dbraw/zinc/24/23/68/971242368.db2.gz WTEYUEYIYJHNQA-UHFFFAOYSA-N 1 2 203.301 1.971 20 0 BDADLO CC(C)(C)OC(=O)[C@H](CO)[NH2+]C1CCCC1 ZINC001257345146 971256054 /nfs/dbraw/zinc/25/60/54/971256054.db2.gz ANTGDFJVTOPGKL-JTQLQIEISA-N 1 2 229.320 1.221 20 0 BDADLO CCCCCC[C@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001257359978 971275862 /nfs/dbraw/zinc/27/58/62/971275862.db2.gz GDEWHGONPQKIDJ-RYUDHWBXSA-N 1 2 245.363 1.859 20 0 BDADLO [NH3+][C@@H](CO)c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001217699624 971341717 /nfs/dbraw/zinc/34/17/17/971341717.db2.gz UQVWRGWQVYMZKY-VWYCJHECSA-N 1 2 245.282 1.333 20 0 BDADLO CCCc1nnc([C@H]([NH3+])c2ccc(O)cc2)o1 ZINC001217736748 971376004 /nfs/dbraw/zinc/37/60/04/971376004.db2.gz NWDIVPPIDZMQDF-LLVKDONJSA-N 1 2 233.271 1.776 20 0 BDADLO CCCCC[C@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257508961 971430361 /nfs/dbraw/zinc/43/03/61/971430361.db2.gz MQFHEQIJIDJJEA-WCQYABFASA-N 1 2 243.347 1.877 20 0 BDADLO C[N@@H+]1C[C@@H](O)C[C@H]1c1nnc(C2CCCC2)o1 ZINC001257547232 971448809 /nfs/dbraw/zinc/44/88/09/971448809.db2.gz PKZHKYPGVTXUTG-UWVGGRQHSA-N 1 2 237.303 1.465 20 0 BDADLO C[N@H+]1C[C@@H](O)C[C@H]1c1nnc(C2CCCC2)o1 ZINC001257547232 971448815 /nfs/dbraw/zinc/44/88/15/971448815.db2.gz PKZHKYPGVTXUTG-UWVGGRQHSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C(=O)[O-] ZINC000090274350 949118230 /nfs/dbraw/zinc/11/82/30/949118230.db2.gz NQPIDDDNYVPPGN-NXEZZACHSA-N 1 2 239.319 1.361 20 0 BDADLO C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C(=O)[O-] ZINC000090274348 949115531 /nfs/dbraw/zinc/11/55/31/949115531.db2.gz NQPIDDDNYVPPGN-ZJUUUORDSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1cc(C)nc(O[C@@H]2C[NH2+]CC2(F)F)c1 ZINC001218232209 971643625 /nfs/dbraw/zinc/64/36/25/971643625.db2.gz BMOPCLQPMYVQLE-SECBINFHSA-N 1 2 228.242 1.684 20 0 BDADLO CC1(CC(F)F)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001330870508 974513084 /nfs/dbraw/zinc/51/30/84/974513084.db2.gz AKIXYBUYCSKOMP-UHFFFAOYSA-N 1 2 243.257 1.456 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)CC1(F)F ZINC001330917900 974532671 /nfs/dbraw/zinc/53/26/71/974532671.db2.gz VSHFQFMIMWQTEG-VIFPVBQESA-N 1 2 229.230 1.082 20 0 BDADLO Cc1cc(-c2cnccc2C(N)=O)c[nH+]c1N ZINC001245537297 971850808 /nfs/dbraw/zinc/85/08/08/971850808.db2.gz AVFRORHSCFBJBB-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172323962 974534673 /nfs/dbraw/zinc/53/46/73/974534673.db2.gz KLLVTLLREKPMJC-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO CON(C)C(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000309886090 971873727 /nfs/dbraw/zinc/87/37/27/971873727.db2.gz YHWGYOYLMLBTIN-MRVPVSSYSA-N 1 2 243.332 1.122 20 0 BDADLO C[C@@H]1COCC[C@@H]1[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001170821811 971909286 /nfs/dbraw/zinc/90/92/86/971909286.db2.gz YNMKPVNVODUFBB-SCZZXKLOSA-N 1 2 247.298 1.413 20 0 BDADLO O[C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC1(F)F ZINC001170830494 971947764 /nfs/dbraw/zinc/94/77/64/971947764.db2.gz DZOYLRMPCXYGRV-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CC[N@H+]([C@@H]2CCCOCC2)CC1(F)F ZINC001170830494 971947767 /nfs/dbraw/zinc/94/77/67/971947767.db2.gz DZOYLRMPCXYGRV-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC1(F)F ZINC001170830500 971947783 /nfs/dbraw/zinc/94/77/83/971947783.db2.gz DZOYLRMPCXYGRV-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@H+]([C@@H]2CCCOCC2)CC1(F)F ZINC001170830500 971947789 /nfs/dbraw/zinc/94/77/89/971947789.db2.gz DZOYLRMPCXYGRV-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO C=Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC001218841237 971952831 /nfs/dbraw/zinc/95/28/31/971952831.db2.gz KTVRBTSTSFXPTI-LBPRGKRZSA-N 1 2 232.283 1.257 20 0 BDADLO COc1ccccc1OC(=O)Cc1[nH]cc[nH+]1 ZINC001135975571 972017775 /nfs/dbraw/zinc/01/77/75/972017775.db2.gz XGXZYXNFFHJOKR-UHFFFAOYSA-N 1 2 232.239 1.566 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc[nH]1 ZINC000190588397 972037092 /nfs/dbraw/zinc/03/70/92/972037092.db2.gz MKGWVCACBXELMZ-SNVBAGLBSA-N 1 2 208.261 1.152 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc[nH]1 ZINC000190588397 972037099 /nfs/dbraw/zinc/03/70/99/972037099.db2.gz MKGWVCACBXELMZ-SNVBAGLBSA-N 1 2 208.261 1.152 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC000191965569 972116795 /nfs/dbraw/zinc/11/67/95/972116795.db2.gz YONWENOJEWJYQV-ZNSHCXBVSA-N 1 2 229.320 1.077 20 0 BDADLO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)OC(C)C)C1CC1 ZINC001345042963 957056718 /nfs/dbraw/zinc/05/67/18/957056718.db2.gz ODJJVKSNPCSYEY-MFKMUULPSA-N 1 2 243.347 1.731 20 0 BDADLO COCOCCC[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001209024598 957275898 /nfs/dbraw/zinc/27/58/98/957275898.db2.gz XXMIRHCJDLPHDN-UWVGGRQHSA-N 1 2 223.263 1.379 20 0 BDADLO COCOCCC[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001209024598 957275906 /nfs/dbraw/zinc/27/59/06/957275906.db2.gz XXMIRHCJDLPHDN-UWVGGRQHSA-N 1 2 223.263 1.379 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)nc2)CC[C@@H]1O ZINC001139988027 957307446 /nfs/dbraw/zinc/30/74/46/957307446.db2.gz MDKAEFNNTZXIRW-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)nc2)CC[C@@H]1O ZINC001139988027 957307455 /nfs/dbraw/zinc/30/74/55/957307455.db2.gz MDKAEFNNTZXIRW-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO CNc1cc(NC[C@@H](O)C2CCC2)[nH+]cn1 ZINC000316048854 972259136 /nfs/dbraw/zinc/25/91/36/972259136.db2.gz WZRBTKHSWOOQJL-SECBINFHSA-N 1 2 222.292 1.091 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3cncnc3)C2)C1 ZINC001137663710 972268319 /nfs/dbraw/zinc/26/83/19/972268319.db2.gz MHIFFAYEPXSLDS-UHFFFAOYSA-N 1 2 225.242 1.708 20 0 BDADLO COC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001136837608 972270761 /nfs/dbraw/zinc/27/07/61/972270761.db2.gz KLCFZVBYQATAKX-NSHDSACASA-N 1 2 239.319 1.048 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCc2occc2C1 ZINC001209557419 957503957 /nfs/dbraw/zinc/50/39/57/957503957.db2.gz RPZZVIIWIZXIIQ-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCc2occc2C1 ZINC001209557419 957503965 /nfs/dbraw/zinc/50/39/65/957503965.db2.gz RPZZVIIWIZXIIQ-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO C(C[NH+]1CCOCC1)OC(C1CC1)C1CC1 ZINC001210206752 957670856 /nfs/dbraw/zinc/67/08/56/957670856.db2.gz IUMBQGWDNFKBER-UHFFFAOYSA-N 1 2 225.332 1.524 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cccc3c2OCC3)n1 ZINC000693151635 957743552 /nfs/dbraw/zinc/74/35/52/957743552.db2.gz IDDHLJNZWVCKCP-UHFFFAOYSA-N 1 2 243.310 1.645 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1Cc2ccc(O)cc2C1 ZINC001167329193 957774662 /nfs/dbraw/zinc/77/46/62/957774662.db2.gz MNUUVKWXKHDEOK-UHFFFAOYSA-N 1 2 243.266 1.131 20 0 BDADLO O[C@@H]1CCCCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207049603 957857395 /nfs/dbraw/zinc/85/73/95/957857395.db2.gz YXFMAXNEXYZBLT-CYBMUJFWSA-N 1 2 245.326 1.681 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@@H]1C ZINC001136955851 972303676 /nfs/dbraw/zinc/30/36/76/972303676.db2.gz PWYZVGPPPYLMEW-ONGXEEELSA-N 1 2 235.331 1.908 20 0 BDADLO Nc1ccc(CNC(=O)[C@@]23C[C@@H]2CCCC3)c[nH+]1 ZINC000693240166 958018606 /nfs/dbraw/zinc/01/86/06/958018606.db2.gz IEIPTJULQWRJTE-FZMZJTMJSA-N 1 2 245.326 1.860 20 0 BDADLO COc1ncc(C[NH+]2CC(C)(CO)C2)cc1C ZINC001137000624 972316154 /nfs/dbraw/zinc/31/61/54/972316154.db2.gz ZCBBUVXTMCOVOM-UHFFFAOYSA-N 1 2 236.315 1.213 20 0 BDADLO CC[N@H+](C)Cc1nc(C(F)(F)F)c[nH]1 ZINC001137010536 972325421 /nfs/dbraw/zinc/32/54/21/972325421.db2.gz VOQLUFKUPXYCLU-UHFFFAOYSA-N 1 2 207.199 1.880 20 0 BDADLO CC[N@@H+](C)Cc1nc(C(F)(F)F)c[nH]1 ZINC001137010536 972325427 /nfs/dbraw/zinc/32/54/27/972325427.db2.gz VOQLUFKUPXYCLU-UHFFFAOYSA-N 1 2 207.199 1.880 20 0 BDADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001143387929 958216797 /nfs/dbraw/zinc/21/67/97/958216797.db2.gz XGGVSYRRBPEZRX-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001143387929 958216816 /nfs/dbraw/zinc/21/68/16/958216816.db2.gz XGGVSYRRBPEZRX-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2ccncn2)C1 ZINC001140346127 958251184 /nfs/dbraw/zinc/25/11/84/958251184.db2.gz PCDRXNIIZHTDTQ-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2ccncn2)C1 ZINC001140346127 958251190 /nfs/dbraw/zinc/25/11/90/958251190.db2.gz PCDRXNIIZHTDTQ-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO CC[C@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000217830498 958332791 /nfs/dbraw/zinc/33/27/91/958332791.db2.gz ZJENQKCOWAHSCT-VHSXEESVSA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891562390 958464745 /nfs/dbraw/zinc/46/47/45/958464745.db2.gz OPNZXZDRKBKDDQ-ZDUSSCGKSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891562390 958464751 /nfs/dbraw/zinc/46/47/51/958464751.db2.gz OPNZXZDRKBKDDQ-ZDUSSCGKSA-N 1 2 249.358 1.908 20 0 BDADLO C[NH+](C)CCC[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000128668990 958677178 /nfs/dbraw/zinc/67/71/78/958677178.db2.gz FQNQUDBIXLQWJH-UHFFFAOYSA-N 1 2 226.276 1.019 20 0 BDADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH]cn1)CC2 ZINC000690738890 958857255 /nfs/dbraw/zinc/85/72/55/958857255.db2.gz JPWUTWRMDVYPDE-ZDUSSCGKSA-N 1 2 229.283 1.892 20 0 BDADLO C[C@H]1COCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222139944 972388752 /nfs/dbraw/zinc/38/87/52/972388752.db2.gz YXXOPYFPWCWKBD-QWRGUYRKSA-N 1 2 210.277 1.325 20 0 BDADLO COC(=O)[C@@]1(C)C[C@@H](OCCn2cc[nH+]c2)C1 ZINC001222139976 972388921 /nfs/dbraw/zinc/38/89/21/972388921.db2.gz ZITRUEUVPIAFKA-KLPPZKSPSA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)(CNc1ccn2cc[nH+]c2c1)C(N)=O ZINC001167607662 959050463 /nfs/dbraw/zinc/05/04/63/959050463.db2.gz WMNQHUYIKDKLPR-UHFFFAOYSA-N 1 2 232.287 1.258 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)C2=CCCC2)o1 ZINC001125625314 959055805 /nfs/dbraw/zinc/05/58/05/959055805.db2.gz RNFUVXPQEVRZHM-UHFFFAOYSA-N 1 2 249.314 1.299 20 0 BDADLO Cc1ncc(NCc2cc[nH+]c(N)c2)nc1C ZINC001167616267 959081556 /nfs/dbraw/zinc/08/15/56/959081556.db2.gz CLSJFPBQYPSAJR-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1cnc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167616942 959083443 /nfs/dbraw/zinc/08/34/43/959083443.db2.gz CTHIPXKFCDUSKP-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO CC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104456235 959257950 /nfs/dbraw/zinc/25/79/50/959257950.db2.gz QJEXJKXDYAOEJN-QMMMGPOBSA-N 1 2 222.292 1.064 20 0 BDADLO CC1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000724709481 959284252 /nfs/dbraw/zinc/28/42/52/959284252.db2.gz YDECSVHVWHNWFR-MRVPVSSYSA-N 1 2 220.263 1.227 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cncc(N)n2)c1 ZINC000404554529 959301507 /nfs/dbraw/zinc/30/15/07/959301507.db2.gz YXQYYUOUBFBSTF-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO Cc1nc(CNC(=O)C[C@H]([NH3+])C(F)F)cs1 ZINC000724738967 959325550 /nfs/dbraw/zinc/32/55/50/959325550.db2.gz KHSPNTYXICRDEW-ZETCQYMHSA-N 1 2 249.286 1.050 20 0 BDADLO Cc1ccncc1-c1noc([C@]2([NH3+])CCOC2)n1 ZINC000167875217 959561003 /nfs/dbraw/zinc/56/10/03/959561003.db2.gz VSACNPDBMSHSNM-LBPRGKRZSA-N 1 2 246.270 1.014 20 0 BDADLO CCSC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000300013023 959629445 /nfs/dbraw/zinc/62/94/45/959629445.db2.gz VCOYPUISTLZNFY-WCBMZHEXSA-N 1 2 231.361 1.669 20 0 BDADLO O=C(C1CCC1)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140709027 959685861 /nfs/dbraw/zinc/68/58/61/959685861.db2.gz PZDFAIDJXYRDRT-UHFFFAOYSA-N 1 2 247.342 1.459 20 0 BDADLO Cc1ccc2nc(=O)[nH]c(O[C@H]3C[NH2+][C@H]3C)c2c1 ZINC001218383043 960020089 /nfs/dbraw/zinc/02/00/89/960020089.db2.gz MEVRBEOIYXTFHM-KWQFWETISA-N 1 2 245.282 1.383 20 0 BDADLO CNc1cc(N2CC[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000694882608 960021744 /nfs/dbraw/zinc/02/17/44/960021744.db2.gz HPQUERJEJBADGS-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2CC[C@@H](C)O[C@@H](C)C2)[nH+]cn1 ZINC000694882608 960021756 /nfs/dbraw/zinc/02/17/56/960021756.db2.gz HPQUERJEJBADGS-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140889802 960044569 /nfs/dbraw/zinc/04/45/69/960044569.db2.gz LFDDGUJIMAZWLI-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(O)c(F)c1F ZINC001140889802 960044575 /nfs/dbraw/zinc/04/45/75/960044575.db2.gz LFDDGUJIMAZWLI-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO OCC[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000694965341 960057249 /nfs/dbraw/zinc/05/72/49/960057249.db2.gz NINUNQCAJMGVOS-LLVKDONJSA-N 1 2 227.329 1.331 20 0 BDADLO OCC[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000694965341 960057237 /nfs/dbraw/zinc/05/72/37/960057237.db2.gz NINUNQCAJMGVOS-LLVKDONJSA-N 1 2 227.329 1.331 20 0 BDADLO CCc1cc(NC2(C(=O)OC)CCCC2)cc[nH+]1 ZINC001167717247 960171106 /nfs/dbraw/zinc/17/11/06/960171106.db2.gz URYKHSBALMKPLV-UHFFFAOYSA-N 1 2 248.326 1.964 20 0 BDADLO COc1ccccc1CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001207453874 960190094 /nfs/dbraw/zinc/19/00/94/960190094.db2.gz PFEOQMMGISMSSY-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001207453874 960190100 /nfs/dbraw/zinc/19/01/00/960190100.db2.gz PFEOQMMGISMSSY-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO CC(C)(CNC(=O)C1CC1)n1cc[nH+]c1 ZINC000692641996 960363167 /nfs/dbraw/zinc/36/31/67/960363167.db2.gz KFXCABDUJHGUND-UHFFFAOYSA-N 1 2 207.277 1.144 20 0 BDADLO CC(C)(CNC(=O)c1ccco1)n1cc[nH+]c1 ZINC000692641915 960363666 /nfs/dbraw/zinc/36/36/66/960363666.db2.gz JCIGBLVYZHESBP-UHFFFAOYSA-N 1 2 233.271 1.641 20 0 BDADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)n1cccc1 ZINC000121317452 960389213 /nfs/dbraw/zinc/38/92/13/960389213.db2.gz HOACFWLEUIJLPZ-LLVKDONJSA-N 1 2 246.314 1.142 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)n1 ZINC001140691069 960495567 /nfs/dbraw/zinc/49/55/67/960495567.db2.gz WJDNDDRKVLWYEG-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)n1 ZINC001140691069 960495579 /nfs/dbraw/zinc/49/55/79/960495579.db2.gz WJDNDDRKVLWYEG-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO c1cc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c[nH]1 ZINC001140706634 960513878 /nfs/dbraw/zinc/51/38/78/960513878.db2.gz XBVTXWYYYJEROG-AWEZNQCLSA-N 1 2 249.358 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@H]2CO)n[nH]1 ZINC001203067205 960580525 /nfs/dbraw/zinc/58/05/25/960580525.db2.gz MQAXNAQLQOFICH-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@H]2CO)n[nH]1 ZINC001203067205 960580541 /nfs/dbraw/zinc/58/05/41/960580541.db2.gz MQAXNAQLQOFICH-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccncc2)[nH]n1 ZINC001203070560 960621551 /nfs/dbraw/zinc/62/15/51/960621551.db2.gz YTXQWPGPRLAVDB-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccncc2)[nH]n1 ZINC001203070560 960621563 /nfs/dbraw/zinc/62/15/63/960621563.db2.gz YTXQWPGPRLAVDB-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(O)c(F)c2F)C[C@H]1O ZINC001140889945 960667232 /nfs/dbraw/zinc/66/72/32/960667232.db2.gz QWUDYUVARVDDFA-OIBJUYFYSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)C[C@H]1O ZINC001140889945 960667243 /nfs/dbraw/zinc/66/72/43/960667243.db2.gz QWUDYUVARVDDFA-OIBJUYFYSA-N 1 2 243.253 1.483 20 0 BDADLO COCC1C[NH+](Cc2ccc(O)c(F)c2F)C1 ZINC001140889455 960670162 /nfs/dbraw/zinc/67/01/62/960670162.db2.gz GDADMXIVUTTYHY-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO COc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)cc1N ZINC001140894494 960681214 /nfs/dbraw/zinc/68/12/14/960681214.db2.gz GGEUBKHJPJSDCG-SNVBAGLBSA-N 1 2 248.326 1.688 20 0 BDADLO COc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)cc1N ZINC001140894494 960681222 /nfs/dbraw/zinc/68/12/22/960681222.db2.gz GGEUBKHJPJSDCG-SNVBAGLBSA-N 1 2 248.326 1.688 20 0 BDADLO Cc1cc(CNc2ccn3cc[nH+]c3c2)nn1C ZINC001167765644 960687507 /nfs/dbraw/zinc/68/75/07/960687507.db2.gz NDJUFCPOTNWFPL-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO C[N@H+](Cc1cnco1)C1CC(F)(F)C1 ZINC001140927179 960696063 /nfs/dbraw/zinc/69/60/63/960696063.db2.gz IGVMZZBIBNJBBO-UHFFFAOYSA-N 1 2 202.204 1.904 20 0 BDADLO C[N@@H+](Cc1cnco1)C1CC(F)(F)C1 ZINC001140927179 960696073 /nfs/dbraw/zinc/69/60/73/960696073.db2.gz IGVMZZBIBNJBBO-UHFFFAOYSA-N 1 2 202.204 1.904 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001140934614 960717892 /nfs/dbraw/zinc/71/78/92/960717892.db2.gz OXCGWQDFNUUNOH-GARJFASQSA-N 1 2 221.279 1.575 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001140934614 960717894 /nfs/dbraw/zinc/71/78/94/960717894.db2.gz OXCGWQDFNUUNOH-GARJFASQSA-N 1 2 221.279 1.575 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2cnccc2C1 ZINC001140935673 960729950 /nfs/dbraw/zinc/72/99/50/960729950.db2.gz WUXSKRJJWTVJBR-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2cnccc2C1 ZINC001140935673 960729971 /nfs/dbraw/zinc/72/99/71/960729971.db2.gz WUXSKRJJWTVJBR-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO C[C@H]1C[N@H+](Cc2csnn2)CCC[C@]1(C)O ZINC001140992814 960782403 /nfs/dbraw/zinc/78/24/03/960782403.db2.gz YWEBMTMHLACBQD-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3ncco3)CC2)c1 ZINC001141008687 960810071 /nfs/dbraw/zinc/81/00/71/960810071.db2.gz JCFXZCOHXSNOHZ-UHFFFAOYSA-N 1 2 247.298 1.585 20 0 BDADLO c1coc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC001141010231 960811966 /nfs/dbraw/zinc/81/19/66/960811966.db2.gz JZOQXXJPHJSRRK-SNVBAGLBSA-N 1 2 233.275 1.103 20 0 BDADLO c1coc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC001141010231 960811976 /nfs/dbraw/zinc/81/19/76/960811976.db2.gz JZOQXXJPHJSRRK-SNVBAGLBSA-N 1 2 233.275 1.103 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccn3ccnc3c2)C1 ZINC001141047618 960834376 /nfs/dbraw/zinc/83/43/76/960834376.db2.gz NIPISGBOVBPRHC-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccn3ccnc3c2)C1 ZINC001141047618 960834398 /nfs/dbraw/zinc/83/43/98/960834398.db2.gz NIPISGBOVBPRHC-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO CCCCc1nc(C[NH+]2CC(C3COC3)C2)c[nH]1 ZINC001141066783 960855582 /nfs/dbraw/zinc/85/55/82/960855582.db2.gz LIDHOAIHVJPVMR-UHFFFAOYSA-N 1 2 249.358 1.831 20 0 BDADLO CCCCc1ncc(C[NH+]2CC(C3COC3)C2)[nH]1 ZINC001141066783 960855590 /nfs/dbraw/zinc/85/55/90/960855590.db2.gz LIDHOAIHVJPVMR-UHFFFAOYSA-N 1 2 249.358 1.831 20 0 BDADLO CCCCc1[nH]c(CN2CCO[C@@H]3C[C@@H]32)c[nH+]1 ZINC001141072816 960857345 /nfs/dbraw/zinc/85/73/45/960857345.db2.gz AQDCVMDXXBTERU-NWDGAFQWSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]cc(CN2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC001141072816 960857353 /nfs/dbraw/zinc/85/73/53/960857353.db2.gz AQDCVMDXXBTERU-NWDGAFQWSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]c(CN2C[C@@H]3C[C@H]2CO3)c[nH+]1 ZINC001141072006 960857887 /nfs/dbraw/zinc/85/78/87/960857887.db2.gz KYVOJJFTPQSOCX-RYUDHWBXSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]cc(CN2C[C@@H]3C[C@H]2CO3)[nH+]1 ZINC001141072006 960857897 /nfs/dbraw/zinc/85/78/97/960857897.db2.gz KYVOJJFTPQSOCX-RYUDHWBXSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]c(CN2CC(C)(O)C2)c[nH+]1 ZINC001141067901 960860421 /nfs/dbraw/zinc/86/04/21/960860421.db2.gz QWUYICVRSHRWLM-UHFFFAOYSA-N 1 2 223.320 1.319 20 0 BDADLO CCCCc1[nH]cc(CN2CC(C)(O)C2)[nH+]1 ZINC001141067901 960860422 /nfs/dbraw/zinc/86/04/22/960860422.db2.gz QWUYICVRSHRWLM-UHFFFAOYSA-N 1 2 223.320 1.319 20 0 BDADLO COc1cccc(C[NH+]2CC3(COC3)C2)c1F ZINC001141218206 960955336 /nfs/dbraw/zinc/95/53/36/960955336.db2.gz CWZDWTNZBRGIFW-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](F)C1 ZINC001141258600 961023174 /nfs/dbraw/zinc/02/31/74/961023174.db2.gz RFKVUXQCXPUKIC-VHSXEESVSA-N 1 2 237.278 1.016 20 0 BDADLO CN(C)c1ccc(NC2(CO)CCCC2)[nH+]c1 ZINC001167807327 961078767 /nfs/dbraw/zinc/07/87/67/961078767.db2.gz RHTKPVFZPNIBSV-UHFFFAOYSA-N 1 2 235.331 1.865 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1CCn2c[nH+]cc2C1 ZINC001141737830 961143564 /nfs/dbraw/zinc/14/35/64/961143564.db2.gz JXISSDNSIINUTL-GMXVVIOVSA-N 1 2 245.326 1.662 20 0 BDADLO COc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1F ZINC001141782963 961152679 /nfs/dbraw/zinc/15/26/79/961152679.db2.gz FGDXYIJUUIEQPB-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1nccn1C1CC1 ZINC001142077987 961242685 /nfs/dbraw/zinc/24/26/85/961242685.db2.gz NJIWGPOVDOFDCQ-SNVBAGLBSA-N 1 2 234.303 1.251 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1nccn1C1CC1 ZINC001142077987 961242709 /nfs/dbraw/zinc/24/27/09/961242709.db2.gz NJIWGPOVDOFDCQ-SNVBAGLBSA-N 1 2 234.303 1.251 20 0 BDADLO Cc1c(C)c(-n2ccnc2)nnc1NC=[NH2+] ZINC001167864629 961330093 /nfs/dbraw/zinc/33/00/93/961330093.db2.gz HVPVTCFLYZRKAJ-UHFFFAOYSA-N 1 2 216.248 1.298 20 0 BDADLO O=C(/C=C/c1ccccn1)NCCn1cc[nH+]c1 ZINC001142290662 961415646 /nfs/dbraw/zinc/41/56/46/961415646.db2.gz PFQJTFBDGMJMOU-SNAWJCMRSA-N 1 2 242.282 1.108 20 0 BDADLO COC1CC(C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001142561348 961506144 /nfs/dbraw/zinc/50/61/44/961506144.db2.gz LIFJSJUVNPKSSA-UHFFFAOYSA-N 1 2 246.310 1.356 20 0 BDADLO CCOC1C[NH+](Cc2cccc3nc[nH]c32)C1 ZINC001142672891 961586924 /nfs/dbraw/zinc/58/69/24/961586924.db2.gz RCGUMMGYKCTHQV-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO C[NH+]1CCN(Cc2cccc3[nH]cnc32)CC1 ZINC001142672813 961593017 /nfs/dbraw/zinc/59/30/17/961593017.db2.gz NUVJLQMETDUISB-UHFFFAOYSA-N 1 2 230.315 1.310 20 0 BDADLO CN1CC[NH+](Cc2cccc3nc[nH]c32)CC1 ZINC001142672813 961593031 /nfs/dbraw/zinc/59/30/31/961593031.db2.gz NUVJLQMETDUISB-UHFFFAOYSA-N 1 2 230.315 1.310 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)s1 ZINC001139809056 961667592 /nfs/dbraw/zinc/66/75/92/961667592.db2.gz MZIOJSNLXGHBCI-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)s1 ZINC001139809056 961667610 /nfs/dbraw/zinc/66/76/10/961667610.db2.gz MZIOJSNLXGHBCI-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO COCCn1c[nH+]cc1CNC(=O)CC(C)C ZINC001142711402 961668171 /nfs/dbraw/zinc/66/81/71/961668171.db2.gz YZNBTRKROKXXDD-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO COC1C[NH+](Cc2cccc3nonc32)C1 ZINC001203124395 961760922 /nfs/dbraw/zinc/76/09/22/961760922.db2.gz LLYUSLDNNQHNGV-UHFFFAOYSA-N 1 2 219.244 1.053 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccn3ccnc23)C[C@@H]1F ZINC001142944466 961845982 /nfs/dbraw/zinc/84/59/82/961845982.db2.gz LSJKWRDPUBHQTK-NWDGAFQWSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccn3ccnc23)C[C@@H]1F ZINC001142944466 961845984 /nfs/dbraw/zinc/84/59/84/961845984.db2.gz LSJKWRDPUBHQTK-NWDGAFQWSA-N 1 2 249.289 1.239 20 0 BDADLO c1cn2cc(CN3CC4(C3)CCCO4)ccc2[nH+]1 ZINC001143022990 961867077 /nfs/dbraw/zinc/86/70/77/961867077.db2.gz WDXQBHAMLMIMME-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc2nccn2c1 ZINC001143027886 961868339 /nfs/dbraw/zinc/86/83/39/961868339.db2.gz SVTPRFIFDUPDHY-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc2nccn2c1 ZINC001143027886 961868344 /nfs/dbraw/zinc/86/83/44/961868344.db2.gz SVTPRFIFDUPDHY-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccc2nccn2c1 ZINC001143028698 961870742 /nfs/dbraw/zinc/87/07/42/961870742.db2.gz HHLZMMMHXOOUGS-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccc2nccn2c1 ZINC001143028698 961870743 /nfs/dbraw/zinc/87/07/43/961870743.db2.gz HHLZMMMHXOOUGS-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1ccc(CN2C[C@@H](F)C[C@H]2CF)c(N)[nH+]1 ZINC001143197968 961935906 /nfs/dbraw/zinc/93/59/06/961935906.db2.gz PRJHFLFMAKFNPD-QWRGUYRKSA-N 1 2 241.285 1.854 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1N ZINC001143208064 961944115 /nfs/dbraw/zinc/94/41/15/961944115.db2.gz QQFHNCKUOXXTCL-ZDUSSCGKSA-N 1 2 247.342 1.916 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)nc1N ZINC001143208064 961944126 /nfs/dbraw/zinc/94/41/26/961944126.db2.gz QQFHNCKUOXXTCL-ZDUSSCGKSA-N 1 2 247.342 1.916 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc2cccnc2[nH]1 ZINC001143220371 961966777 /nfs/dbraw/zinc/96/67/77/961966777.db2.gz KGUKYXBIXKZZNA-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc2cccnc2[nH]1 ZINC001143220371 961966793 /nfs/dbraw/zinc/96/67/93/961966793.db2.gz KGUKYXBIXKZZNA-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO FC1(F)C[NH2+]CCN([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167931583 962066495 /nfs/dbraw/zinc/06/64/95/962066495.db2.gz OQZGJKGCVISMKW-MYJAWHEDSA-N 1 2 216.275 1.325 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(F)nc1 ZINC001149742051 962127088 /nfs/dbraw/zinc/12/70/88/962127088.db2.gz TVGWUZFGHSXNMO-VIFPVBQESA-N 1 2 223.251 1.253 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(F)nc1 ZINC001149742051 962127106 /nfs/dbraw/zinc/12/71/06/962127106.db2.gz TVGWUZFGHSXNMO-VIFPVBQESA-N 1 2 223.251 1.253 20 0 BDADLO c1cn2ccc(Nc3cnccn3)cc2[nH+]1 ZINC001204951006 962162191 /nfs/dbraw/zinc/16/21/91/962162191.db2.gz MBNYOOXUXHGROW-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO Cc1ccc(NC(=O)C2CC(=O)C2)c(N(C)C)[nH+]1 ZINC001152012648 962364632 /nfs/dbraw/zinc/36/46/32/962364632.db2.gz GDGATRDKUOLPJY-UHFFFAOYSA-N 1 2 247.298 1.374 20 0 BDADLO CC(F)(F)CC(=O)NCC1C[NH+](CCF)C1 ZINC001268874861 962372307 /nfs/dbraw/zinc/37/23/07/962372307.db2.gz ZROZZGGPZSGODU-UHFFFAOYSA-N 1 2 238.253 1.049 20 0 BDADLO CC(C)=CC(=O)NCCCN(C)c1cccc[nH+]1 ZINC001153114976 962540191 /nfs/dbraw/zinc/54/01/91/962540191.db2.gz YGBICDAZWUGBND-UHFFFAOYSA-N 1 2 247.342 1.990 20 0 BDADLO Cc1ccc(N[C@@H](C)CC(N)=O)c(C)[nH+]1 ZINC000134339285 962771718 /nfs/dbraw/zinc/77/17/18/962771718.db2.gz XWTXGWZHOUJOFR-QMMMGPOBSA-N 1 2 207.277 1.374 20 0 BDADLO COc1c[nH+]c(NCCn2ccnn2)c(C)c1 ZINC001154621698 962814545 /nfs/dbraw/zinc/81/45/45/962814545.db2.gz XEAMYBACXPIGAS-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001154801856 962851224 /nfs/dbraw/zinc/85/12/24/962851224.db2.gz KOHXYXWEERPDCW-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO COc1c[nH+]c(NC[C@H]2CCNC(=O)C2)c(C)c1 ZINC001154933460 962911199 /nfs/dbraw/zinc/91/11/99/962911199.db2.gz IUYRTISWPHQWBG-JTQLQIEISA-N 1 2 249.314 1.337 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1cccs1)C2 ZINC001270246162 962914148 /nfs/dbraw/zinc/91/41/48/962914148.db2.gz ONQSXMXQSKRHDB-UHFFFAOYSA-N 1 2 222.313 1.278 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)C[C@H]1[NH3+] ZINC000300047965 962974810 /nfs/dbraw/zinc/97/48/10/962974810.db2.gz GINQULWVCKPGLL-BXKDBHETSA-N 1 2 234.299 1.164 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@H]1[NH3+] ZINC000300047965 962974823 /nfs/dbraw/zinc/97/48/23/962974823.db2.gz GINQULWVCKPGLL-BXKDBHETSA-N 1 2 234.299 1.164 20 0 BDADLO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ncco1 ZINC000925082624 963081329 /nfs/dbraw/zinc/08/13/29/963081329.db2.gz LVBNEHYLWHTNDO-XXFAHNHDSA-N 1 2 244.360 1.872 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]12 ZINC000307201175 963123399 /nfs/dbraw/zinc/12/33/99/963123399.db2.gz ZUDVWZXMPFIMJW-IIVVXVGRSA-N 1 2 222.115 1.476 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]12 ZINC000307201175 963123414 /nfs/dbraw/zinc/12/34/14/963123414.db2.gz ZUDVWZXMPFIMJW-IIVVXVGRSA-N 1 2 222.115 1.476 20 0 BDADLO O=C1CC[C@H](CNc2cc3ccccc3c[nH+]2)N1 ZINC001156142934 963266618 /nfs/dbraw/zinc/26/66/18/963266618.db2.gz WOQDMPZEIPGBHW-GFCCVEGCSA-N 1 2 241.294 1.925 20 0 BDADLO CC(C)[NH+]1CC(Oc2ncc(Cl)cn2)C1 ZINC001226663529 963280162 /nfs/dbraw/zinc/28/01/62/963280162.db2.gz HUCAHDHHANKGOA-UHFFFAOYSA-N 1 2 227.695 1.601 20 0 BDADLO COc1c[nH+]c(NCC2(CO)CCC2)c(C)c1 ZINC001156272361 963293872 /nfs/dbraw/zinc/29/38/72/963293872.db2.gz XLRWDANGQGWARP-UHFFFAOYSA-N 1 2 236.315 1.973 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCc2cnoc2)[nH+]1 ZINC001161698053 963331378 /nfs/dbraw/zinc/33/13/78/963331378.db2.gz DLAQYCBNQNVVOX-UHFFFAOYSA-N 1 2 243.270 1.861 20 0 BDADLO Cc1nc(N[C@H]2CCN(C)C2=O)c(C)c(C)[nH+]1 ZINC001156508514 963376617 /nfs/dbraw/zinc/37/66/17/963376617.db2.gz VEXLCJQUWVCBTD-JTQLQIEISA-N 1 2 234.303 1.044 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CO[C@H](C)C2)c[nH+]1 ZINC001156538382 963381765 /nfs/dbraw/zinc/38/17/65/963381765.db2.gz SRXKSNRNWNNBOM-BDAKNGLRSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CO[C@H](C)C2)[nH+]1 ZINC001156538382 963381770 /nfs/dbraw/zinc/38/17/70/963381770.db2.gz SRXKSNRNWNNBOM-BDAKNGLRSA-N 1 2 237.303 1.013 20 0 BDADLO COc1ccnc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756033 963453379 /nfs/dbraw/zinc/45/33/79/963453379.db2.gz OVCLINPMJLBCBZ-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO CN(C)c1ccc(NCc2cc[nH+]c(N)c2)nn1 ZINC001156756354 963453510 /nfs/dbraw/zinc/45/35/10/963453510.db2.gz VUJGGDLYDRRKCN-UHFFFAOYSA-N 1 2 244.302 1.132 20 0 BDADLO COc1cncnc1NCc1cc[nH+]c(N)c1 ZINC001156755447 963455207 /nfs/dbraw/zinc/45/52/07/963455207.db2.gz AJFXMUNYKKCQPF-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Nc1ccc(N2Cc3ncsc3C2)[nH+]c1 ZINC001156822365 963469457 /nfs/dbraw/zinc/46/94/57/963469457.db2.gz FGSKLEYFHWIBIT-UHFFFAOYSA-N 1 2 218.285 1.641 20 0 BDADLO COC(C)(C)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910038 963521080 /nfs/dbraw/zinc/52/10/80/963521080.db2.gz HKDQBSGSKBDSCF-UHFFFAOYSA-N 1 2 239.319 1.458 20 0 BDADLO COc1cc2c(cc1F)ncnc2NC=[NH2+] ZINC001157078437 963523023 /nfs/dbraw/zinc/52/30/23/963523023.db2.gz NVULCOBANRWEKK-UHFFFAOYSA-N 1 2 220.207 1.796 20 0 BDADLO COC(=O)c1nc(NC=[NH2+])ccc1Cl ZINC001157078868 963525036 /nfs/dbraw/zinc/52/50/36/963525036.db2.gz QCBHGMFWDJOKJP-UHFFFAOYSA-N 1 2 213.624 1.541 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)COC(F)F)[nH+]1 ZINC001157124568 963537456 /nfs/dbraw/zinc/53/74/56/963537456.db2.gz NHZPNGBHLXDOEX-UHFFFAOYSA-N 1 2 247.245 1.389 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)COC(F)F)c[nH+]1 ZINC001157124568 963537463 /nfs/dbraw/zinc/53/74/63/963537463.db2.gz NHZPNGBHLXDOEX-UHFFFAOYSA-N 1 2 247.245 1.389 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ccnnc2)[nH+]1 ZINC001157119051 963537811 /nfs/dbraw/zinc/53/78/11/963537811.db2.gz IWGXFKBGCZTRMQ-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ccnnc2)c[nH+]1 ZINC001157119051 963537825 /nfs/dbraw/zinc/53/78/25/963537825.db2.gz IWGXFKBGCZTRMQ-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO CC(C)c1ccc(NC2(CO)COC2)[nH+]c1 ZINC001157395883 963594464 /nfs/dbraw/zinc/59/44/64/963594464.db2.gz ODYKQLSRUQAVJY-UHFFFAOYSA-N 1 2 222.288 1.378 20 0 BDADLO CSCc1cc[nH+]c(NC2(CO)COC2)c1 ZINC001157399686 963598377 /nfs/dbraw/zinc/59/83/77/963598377.db2.gz XPQLNFWSRTXBOM-UHFFFAOYSA-N 1 2 240.328 1.118 20 0 BDADLO CCc1nccc(N(CC)CCn2cc[nH+]c2)n1 ZINC001157462182 963621239 /nfs/dbraw/zinc/62/12/39/963621239.db2.gz CBDYPIMFKZIWMX-UHFFFAOYSA-N 1 2 245.330 1.762 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ncnc(C)c1C ZINC001157459957 963621301 /nfs/dbraw/zinc/62/13/01/963621301.db2.gz OJDQLFKOKBDEKZ-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO C[C@@]1([NH3+])CC[N@H+](Cc2ccc([S-])cc2)C1 ZINC001204800606 963636610 /nfs/dbraw/zinc/63/66/10/963636610.db2.gz FLUPGMUMKMPSEX-GFCCVEGCSA-N 1 2 222.357 1.898 20 0 BDADLO C[C@@]1([NH3+])CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001204800606 963636614 /nfs/dbraw/zinc/63/66/14/963636614.db2.gz FLUPGMUMKMPSEX-GFCCVEGCSA-N 1 2 222.357 1.898 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204800596 963636696 /nfs/dbraw/zinc/63/66/96/963636696.db2.gz YHUFCOODOHHWFL-NSHDSACASA-N 1 2 243.310 1.974 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204800596 963636700 /nfs/dbraw/zinc/63/67/00/963636700.db2.gz YHUFCOODOHHWFL-NSHDSACASA-N 1 2 243.310 1.974 20 0 BDADLO CCc1cc(C[NH+]2CC3(CC(O)C3)C2)on1 ZINC001203212450 963651665 /nfs/dbraw/zinc/65/16/65/963651665.db2.gz NTDAOMYAYLKWQX-UHFFFAOYSA-N 1 2 222.288 1.194 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204801933 963694260 /nfs/dbraw/zinc/69/42/60/963694260.db2.gz XHHLPEBPKYCGIP-CQSZACIVSA-N 1 2 248.326 1.616 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204801933 963694264 /nfs/dbraw/zinc/69/42/64/963694264.db2.gz XHHLPEBPKYCGIP-CQSZACIVSA-N 1 2 248.326 1.616 20 0 BDADLO C[C@H](C(=O)N1CCC[C@H](C)C1)n1cc[nH+]c1 ZINC000053898575 963841982 /nfs/dbraw/zinc/84/19/82/963841982.db2.gz DARAZUKVKXQCFD-WDEREUQCSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CCC[C@@H](O)C2)c1C(N)=O ZINC001158364860 963854829 /nfs/dbraw/zinc/85/48/29/963854829.db2.gz VVOMSHRGVXWMAL-VHSXEESVSA-N 1 2 249.314 1.204 20 0 BDADLO CC(C)c1coc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001158687282 963903550 /nfs/dbraw/zinc/90/35/50/963903550.db2.gz DXKZVMCSRRVQTP-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001159000220 963971670 /nfs/dbraw/zinc/97/16/70/963971670.db2.gz JTHJJVFPGLYFRX-VXGBXAGGSA-N 1 2 245.326 1.899 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001142546259 964377494 /nfs/dbraw/zinc/37/74/94/964377494.db2.gz NVIIMSWEOMAZTG-LBPRGKRZSA-N 1 2 208.305 1.163 20 0 BDADLO CC(C)[NH+]1CC(Nc2c(F)ccnc2N)C1 ZINC001168315149 964426649 /nfs/dbraw/zinc/42/66/49/964426649.db2.gz HESHLMVCJRRMNH-UHFFFAOYSA-N 1 2 224.283 1.307 20 0 BDADLO CCN(C)c1cc(NC2(CC)COC2)[nH+]cn1 ZINC001168321727 964441478 /nfs/dbraw/zinc/44/14/78/964441478.db2.gz NVLFQPCUGLRTJA-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCN(C)c1cc(NC2(CC)COC2)nc[nH+]1 ZINC001168321727 964441487 /nfs/dbraw/zinc/44/14/87/964441487.db2.gz NVLFQPCUGLRTJA-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000697742679 964512979 /nfs/dbraw/zinc/51/29/79/964512979.db2.gz RSVLHHPIWVGWRT-VIFPVBQESA-N 1 2 211.305 1.860 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(F)F ZINC001161303840 964564909 /nfs/dbraw/zinc/56/49/09/964564909.db2.gz LNNLLWDHXHELNS-LURJTMIESA-N 1 2 217.219 1.112 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001161466444 964608044 /nfs/dbraw/zinc/60/80/44/964608044.db2.gz YSVLPFIRMRYMEF-MXWKQRLJSA-N 1 2 237.303 1.128 20 0 BDADLO CC(C)CNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001161644904 964660429 /nfs/dbraw/zinc/66/04/29/964660429.db2.gz MFJJTWXJRBUXAE-UHFFFAOYSA-N 1 2 233.315 1.666 20 0 BDADLO c1cn(CCCNc2ncnc3c2COC3)c[nH+]1 ZINC001161682692 964684081 /nfs/dbraw/zinc/68/40/81/964684081.db2.gz WCUBOAOHLAVVNT-UHFFFAOYSA-N 1 2 245.286 1.206 20 0 BDADLO CC(C)c1cc(NCC(N)=O)nc(C(C)C)[nH+]1 ZINC001161840925 964784055 /nfs/dbraw/zinc/78/40/55/964784055.db2.gz UEWZDXGLWWXSHI-UHFFFAOYSA-N 1 2 236.319 1.621 20 0 BDADLO O=C(CNc1cc2cc[nH]c2c[nH+]1)NC1CC1 ZINC001161888107 964807533 /nfs/dbraw/zinc/80/75/33/964807533.db2.gz OQKJHJGBSLGEFT-UHFFFAOYSA-N 1 2 230.271 1.253 20 0 BDADLO Cc1cccnc1C[NH2+]c1cccc(=O)n1C ZINC001161887050 964808108 /nfs/dbraw/zinc/80/81/08/964808108.db2.gz RACTZVSDIYBIGN-UHFFFAOYSA-N 1 2 229.283 1.701 20 0 BDADLO c1c(CNc2cccc[nH+]2)nc2ncccn12 ZINC001161899811 964814970 /nfs/dbraw/zinc/81/49/70/964814970.db2.gz KVODMPLCTBNWQD-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1cc(C)c(C)cn1 ZINC001161949658 964833753 /nfs/dbraw/zinc/83/37/53/964833753.db2.gz CTPLAUIZEXHSKX-SNVBAGLBSA-N 1 2 237.303 1.001 20 0 BDADLO COCCOc1cc(NC2CSC2)cc[nH+]1 ZINC001168367756 964846396 /nfs/dbraw/zinc/84/63/96/964846396.db2.gz VNJRJDXAGDRXFX-UHFFFAOYSA-N 1 2 240.328 1.634 20 0 BDADLO C[N@@H+]1CCc2ncnc(NC3CC(F)C3)c2C1 ZINC001162209425 964872018 /nfs/dbraw/zinc/87/20/18/964872018.db2.gz HAOMOUZBKNEUBZ-UHFFFAOYSA-N 1 2 236.294 1.377 20 0 BDADLO C[N@H+]1CCc2ncnc(NC3CC(F)C3)c2C1 ZINC001162209425 964872019 /nfs/dbraw/zinc/87/20/19/964872019.db2.gz HAOMOUZBKNEUBZ-UHFFFAOYSA-N 1 2 236.294 1.377 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCOC[C@@H]2F)[nH+]cn1 ZINC001162338600 964937749 /nfs/dbraw/zinc/93/77/49/964937749.db2.gz CKQUXQKYIOXANT-DTWKUNHWSA-N 1 2 240.282 1.082 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCOC[C@@H]2F)nc[nH+]1 ZINC001162338600 964937751 /nfs/dbraw/zinc/93/77/51/964937751.db2.gz CKQUXQKYIOXANT-DTWKUNHWSA-N 1 2 240.282 1.082 20 0 BDADLO CCc1ccc(N[C@@H]2CCS(=O)(=O)C2)[nH+]c1 ZINC001162500081 964997823 /nfs/dbraw/zinc/99/78/23/964997823.db2.gz SPVHKSUXTGDEMR-SNVBAGLBSA-N 1 2 240.328 1.243 20 0 BDADLO COc1c[nH+]c(NC2(C(N)=O)CC2)c2[nH]ccc21 ZINC001162543054 965033043 /nfs/dbraw/zinc/03/30/43/965033043.db2.gz ANMXWKLBOLWAHN-UHFFFAOYSA-N 1 2 246.270 1.001 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2CCC[C@H]2CO)c1C(N)=O ZINC001162603037 965074684 /nfs/dbraw/zinc/07/46/84/965074684.db2.gz CINUZKGUNSFOHH-UWVGGRQHSA-N 1 2 249.314 1.062 20 0 BDADLO Nc1cn(-c2cc[nH+]cc2Cl)nc1N ZINC001212147602 965080259 /nfs/dbraw/zinc/08/02/59/965080259.db2.gz CAOAMOIUZIDNCC-UHFFFAOYSA-N 1 2 209.640 1.085 20 0 BDADLO CCc1nccc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC001162994843 965223168 /nfs/dbraw/zinc/22/31/68/965223168.db2.gz NGCGYUFVVSTJGH-UHFFFAOYSA-N 1 2 243.314 1.653 20 0 BDADLO CC[C@H](CO)Nc1cc(SC)cc[nH+]1 ZINC001163045353 965241947 /nfs/dbraw/zinc/24/19/47/965241947.db2.gz RICCAYNKMPELEV-MRVPVSSYSA-N 1 2 212.318 1.986 20 0 BDADLO c1[nH]c2cnccc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001231519745 965266994 /nfs/dbraw/zinc/26/69/94/965266994.db2.gz IXDWSZIMJVTWFJ-OLZOCXBDSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]c2cnccc2c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001231519745 965267004 /nfs/dbraw/zinc/26/70/04/965267004.db2.gz IXDWSZIMJVTWFJ-OLZOCXBDSA-N 1 2 229.283 1.536 20 0 BDADLO CCCNc1cc(NCCC[C@H](C)O)nc[nH+]1 ZINC000227852270 965277961 /nfs/dbraw/zinc/27/79/61/965277961.db2.gz FUUCMLRUXPWEBX-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NCCC[C@H](C)O)[nH+]cn1 ZINC000227852270 965277976 /nfs/dbraw/zinc/27/79/76/965277976.db2.gz FUUCMLRUXPWEBX-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO C[C@@H]1C[N@H+](Cc2[nH]nc3c2CCC3)C[C@@H]1F ZINC001232428268 965354413 /nfs/dbraw/zinc/35/44/13/965354413.db2.gz LIQUINLYJYMIEO-SCZZXKLOSA-N 1 2 223.295 1.688 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)C[C@@H]1F ZINC001232428268 965354426 /nfs/dbraw/zinc/35/44/26/965354426.db2.gz LIQUINLYJYMIEO-SCZZXKLOSA-N 1 2 223.295 1.688 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCCC[C@H]1CO ZINC001163552695 965447053 /nfs/dbraw/zinc/44/70/53/965447053.db2.gz GUAVCMJIYQEECA-NSHDSACASA-N 1 2 236.315 1.750 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCCC[C@@H]1CO ZINC001163553279 965447239 /nfs/dbraw/zinc/44/72/39/965447239.db2.gz PNQIAHXGFQGQCU-SNVBAGLBSA-N 1 2 224.279 1.880 20 0 BDADLO CCN(C)c1cc(N(CC)CC)nc[nH+]1 ZINC001163585387 965468447 /nfs/dbraw/zinc/46/84/47/965468447.db2.gz ZIHIGTOOZMIAPK-UHFFFAOYSA-N 1 2 208.309 1.779 20 0 BDADLO CCN(C)c1cc(N(CC)CC)[nH+]cn1 ZINC001163585387 965468452 /nfs/dbraw/zinc/46/84/52/965468452.db2.gz ZIHIGTOOZMIAPK-UHFFFAOYSA-N 1 2 208.309 1.779 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2nc3ccccn3n2)C1 ZINC001233067325 965474824 /nfs/dbraw/zinc/47/48/24/965474824.db2.gz JCDBPRNZZRHQLF-NSHDSACASA-N 1 2 230.315 1.961 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2nc3ccccn3n2)C1 ZINC001233067325 965474829 /nfs/dbraw/zinc/47/48/29/965474829.db2.gz JCDBPRNZZRHQLF-NSHDSACASA-N 1 2 230.315 1.961 20 0 BDADLO COC/C(C)=C\C[N@H+](C)Cc1cc[nH]n1 ZINC000929623473 965524356 /nfs/dbraw/zinc/52/43/56/965524356.db2.gz BZAFGVDIUWBXNT-YHYXMXQVSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)Cc1cc[nH]n1 ZINC000929623473 965524360 /nfs/dbraw/zinc/52/43/60/965524360.db2.gz BZAFGVDIUWBXNT-YHYXMXQVSA-N 1 2 209.293 1.434 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccncc1 ZINC001288769886 965545837 /nfs/dbraw/zinc/54/58/37/965545837.db2.gz ABEUETBEQNDATB-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO Cc1nc(N2CC3(CC(O)C3)C2)c(C)c(C)[nH+]1 ZINC001163741068 965559784 /nfs/dbraw/zinc/55/97/84/965559784.db2.gz WDMJQSCJZRTRKA-UHFFFAOYSA-N 1 2 233.315 1.363 20 0 BDADLO CN(C)c1cc(N(C)C2CC(F)(F)C2)nc[nH+]1 ZINC001163764364 965569594 /nfs/dbraw/zinc/56/95/94/965569594.db2.gz ZKAKWPHZFUDUIK-UHFFFAOYSA-N 1 2 242.273 1.777 20 0 BDADLO CN(C)c1cc(N(C)C2CC(F)(F)C2)[nH+]cn1 ZINC001163764364 965569596 /nfs/dbraw/zinc/56/95/96/965569596.db2.gz ZKAKWPHZFUDUIK-UHFFFAOYSA-N 1 2 242.273 1.777 20 0 BDADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC=CC1 ZINC001163918393 965628616 /nfs/dbraw/zinc/62/86/16/965628616.db2.gz GHGQXWNRYGCGJH-AATRIKPKSA-N 1 2 244.294 1.952 20 0 BDADLO Cc1nc(N2CCCCO2)cc(N2CCCC2)[nH+]1 ZINC001163928278 965642476 /nfs/dbraw/zinc/64/24/76/965642476.db2.gz KTVXBHAPGZDBFM-UHFFFAOYSA-N 1 2 248.330 1.917 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2conc2C2CC2)C1 ZINC001030935527 965651827 /nfs/dbraw/zinc/65/18/27/965651827.db2.gz GFOWRSZHRNRHDE-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO Cc1nonc1CNc1ccn2cc(N)[nH+]c2c1 ZINC001164059305 965720524 /nfs/dbraw/zinc/72/05/24/965720524.db2.gz ODDMDLMBCZZQCW-UHFFFAOYSA-N 1 2 244.258 1.220 20 0 BDADLO CC(C)Oc1cc(NC[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC001164166540 965771165 /nfs/dbraw/zinc/77/11/65/965771165.db2.gz DNUIIZRTPVFOBP-NSHDSACASA-N 1 2 249.314 1.559 20 0 BDADLO Cc1cc(NC[C@H]2CCC(=O)N2)c[nH+]c1C ZINC001164166614 965772243 /nfs/dbraw/zinc/77/22/43/965772243.db2.gz GTIUUAWISMRIOH-SNVBAGLBSA-N 1 2 219.288 1.389 20 0 BDADLO CCC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106197808 965807283 /nfs/dbraw/zinc/80/72/83/965807283.db2.gz IMEVYNHKLWYGPE-SECBINFHSA-N 1 2 236.319 1.502 20 0 BDADLO CC1(C)CN(c2ccc(N)c[nH+]2)[C@](C)(CO)C1 ZINC001164357774 965855697 /nfs/dbraw/zinc/85/56/97/965855697.db2.gz RKWOHPCXTCUHRI-ZDUSSCGKSA-N 1 2 235.331 1.651 20 0 BDADLO O=C(CNc1ccn2cc[nH+]c2c1)N1CCCC1 ZINC001164576471 965920948 /nfs/dbraw/zinc/92/09/48/965920948.db2.gz AZEBQMZKJJEFAA-UHFFFAOYSA-N 1 2 244.298 1.369 20 0 BDADLO CC1(F)CN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001164591254 965928293 /nfs/dbraw/zinc/92/82/93/965928293.db2.gz ADLCAHJPBWQFNP-UHFFFAOYSA-N 1 2 215.659 1.865 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC(C)(F)C1 ZINC001164589027 965929769 /nfs/dbraw/zinc/92/97/69/965929769.db2.gz IXBHLJRFCJRZMT-UHFFFAOYSA-N 1 2 237.278 1.897 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@@](C)(O)C1 ZINC001165226927 965988729 /nfs/dbraw/zinc/98/87/29/965988729.db2.gz BKHARRPKKJBJPR-GFCCVEGCSA-N 1 2 222.288 1.360 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@](C)(O)C1 ZINC001165226928 965990159 /nfs/dbraw/zinc/99/01/59/965990159.db2.gz BKHARRPKKJBJPR-LBPRGKRZSA-N 1 2 222.288 1.360 20 0 BDADLO CNc1ccc(Nc2cn(C)nc2C(C)=O)c[nH+]1 ZINC001203453189 966054549 /nfs/dbraw/zinc/05/45/49/966054549.db2.gz XZJDYZLIAFTFRW-UHFFFAOYSA-N 1 2 245.286 1.803 20 0 BDADLO Nc1cc(N2CC[C@@H]3CCCO[C@@H]3C2)[nH+]cn1 ZINC001165332655 966057925 /nfs/dbraw/zinc/05/79/25/966057925.db2.gz FGCVGOZBOBTQES-VHSXEESVSA-N 1 2 234.303 1.064 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCC(=O)CC1 ZINC001165464549 966104126 /nfs/dbraw/zinc/10/41/26/966104126.db2.gz IZVHVHBGAPWELQ-UHFFFAOYSA-N 1 2 219.288 1.653 20 0 BDADLO OCCOCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919144929 966293643 /nfs/dbraw/zinc/29/36/43/966293643.db2.gz UIXPTVZYQOJVGF-UHFFFAOYSA-N 1 2 246.310 1.483 20 0 BDADLO COc1ccc(C[N@H+](C)CCO)c(Cl)n1 ZINC001236255018 966322802 /nfs/dbraw/zinc/32/28/02/966322802.db2.gz AEZBLZQFHWINPE-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO COc1ccc(C[N@@H+](C)CCO)c(Cl)n1 ZINC001236255018 966322815 /nfs/dbraw/zinc/32/28/15/966322815.db2.gz AEZBLZQFHWINPE-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@H]1C=CCCC1 ZINC001124011763 966350416 /nfs/dbraw/zinc/35/04/16/966350416.db2.gz WGGZNJXWRYFPRO-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO COc1ccc(C)[nH+]c1N(C)CC1(C)COC1 ZINC001166709314 966370532 /nfs/dbraw/zinc/37/05/32/966370532.db2.gz XJQOSWYADDCNIX-UHFFFAOYSA-N 1 2 236.315 1.871 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC(N(C)C(C)=O)C1 ZINC001166729394 966378056 /nfs/dbraw/zinc/37/80/56/966378056.db2.gz MGBWEHYMBJNMFE-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N(C)CC1COC1 ZINC001166948916 966475568 /nfs/dbraw/zinc/47/55/68/966475568.db2.gz MYXBTZALUDLWLG-UHFFFAOYSA-N 1 2 249.314 1.431 20 0 BDADLO Cc1cnc(N2CC[C@H]([NH3+])C(F)(F)C2)c(N)c1 ZINC001166958566 966485490 /nfs/dbraw/zinc/48/54/90/966485490.db2.gz FGLHQOXFUKBFCL-VIFPVBQESA-N 1 2 242.273 1.145 20 0 BDADLO Cc1cccc(C2(C(=O)NOC[C@@H](C)[NH3+])CC2)c1 ZINC001521807938 966488226 /nfs/dbraw/zinc/48/82/26/966488226.db2.gz WWXMBEZDBFUETJ-LLVKDONJSA-N 1 2 248.326 1.422 20 0 BDADLO Cc1ccc(CC[N@@H+](C)Cc2cnn[nH]2)cc1 ZINC001203206334 966544504 /nfs/dbraw/zinc/54/45/04/966544504.db2.gz RMPJTGUPTFENLX-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccc(CC[N@H+](C)Cc2cnn[nH]2)cc1 ZINC001203206334 966544514 /nfs/dbraw/zinc/54/45/14/966544514.db2.gz RMPJTGUPTFENLX-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccc(CC[N@@H+](C)Cc2c[nH]nn2)cc1 ZINC001203206334 966544522 /nfs/dbraw/zinc/54/45/22/966544522.db2.gz RMPJTGUPTFENLX-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1ccc(CC[N@H+](C)Cc2c[nH]nn2)cc1 ZINC001203206334 966544532 /nfs/dbraw/zinc/54/45/32/966544532.db2.gz RMPJTGUPTFENLX-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO COc1cc[nH+]cc1NC=CC(C)(C)O ZINC001203210922 966546706 /nfs/dbraw/zinc/54/67/06/966546706.db2.gz LFXOTWHJUZPVCZ-FNORWQNLSA-N 1 2 208.261 1.787 20 0 BDADLO COc1ccc2[nH+]ccc(NC3=CCOC3)c2n1 ZINC001203387578 966625281 /nfs/dbraw/zinc/62/52/81/966625281.db2.gz ZKVAVIWSKOVQMF-UHFFFAOYSA-N 1 2 243.266 1.386 20 0 BDADLO CNc1ccc(Nc2cncnc2C)c[nH+]1 ZINC001203448556 966648075 /nfs/dbraw/zinc/64/80/75/966648075.db2.gz AITXSFBNHCMNOB-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccccc2OC)C1 ZINC001203434896 966648814 /nfs/dbraw/zinc/64/88/14/966648814.db2.gz UUTARGKPYWUBDB-UHFFFAOYSA-N 1 2 249.310 1.690 20 0 BDADLO CNc1ccc(Nc2cnn3c2OCCC3)c[nH+]1 ZINC001203455362 966692805 /nfs/dbraw/zinc/69/28/05/966692805.db2.gz RYKHMWYDZSSKHI-UHFFFAOYSA-N 1 2 245.286 1.846 20 0 BDADLO COCc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000112340214 966740974 /nfs/dbraw/zinc/74/09/74/966740974.db2.gz AHJKGTNNXWWASZ-UHFFFAOYSA-N 1 2 231.299 1.846 20 0 BDADLO CC(=O)[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001203712845 966743753 /nfs/dbraw/zinc/74/37/53/966743753.db2.gz MOUYWEMVXCADRS-CQSZACIVSA-N 1 2 233.311 1.785 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001203712845 966743761 /nfs/dbraw/zinc/74/37/61/966743761.db2.gz MOUYWEMVXCADRS-CQSZACIVSA-N 1 2 233.311 1.785 20 0 BDADLO c1coc(Nc2ccc[nH+]c2N2CCOCC2)n1 ZINC001212349570 966832866 /nfs/dbraw/zinc/83/28/66/966832866.db2.gz CXWFSYFKFKBGCZ-UHFFFAOYSA-N 1 2 246.270 1.650 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@H+](Cc3ncc[nH]3)C2)N1 ZINC001203974633 966834390 /nfs/dbraw/zinc/83/43/90/966834390.db2.gz HKQNTVOCLXSVMC-ZDUSSCGKSA-N 1 2 248.330 1.044 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3ncc[nH]3)C2)N1 ZINC001203974633 966834393 /nfs/dbraw/zinc/83/43/93/966834393.db2.gz HKQNTVOCLXSVMC-ZDUSSCGKSA-N 1 2 248.330 1.044 20 0 BDADLO FC1(F)C[C@@H]2C[N@H+](Cc3ncc[nH]3)C[C@@H]21 ZINC001203978491 966835511 /nfs/dbraw/zinc/83/55/11/966835511.db2.gz XODSVIOUBLKQQC-SFYZADRCSA-N 1 2 213.231 1.497 20 0 BDADLO FC1(F)C[C@@H]2C[N@@H+](Cc3ncc[nH]3)C[C@@H]21 ZINC001203978491 966835512 /nfs/dbraw/zinc/83/55/12/966835512.db2.gz XODSVIOUBLKQQC-SFYZADRCSA-N 1 2 213.231 1.497 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC001203979956 966837548 /nfs/dbraw/zinc/83/75/48/966837548.db2.gz ICAVDRKERHVLIA-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC001203979956 966837552 /nfs/dbraw/zinc/83/75/52/966837552.db2.gz ICAVDRKERHVLIA-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO O=C1C[N@H+](Cc2ccsc2)C[C@@H]2CCCN12 ZINC001204039995 966865030 /nfs/dbraw/zinc/86/50/30/966865030.db2.gz GJHNWSVEHBZWNI-NSHDSACASA-N 1 2 236.340 1.555 20 0 BDADLO O=C1C[N@@H+](Cc2ccsc2)C[C@@H]2CCCN12 ZINC001204039995 966865034 /nfs/dbraw/zinc/86/50/34/966865034.db2.gz GJHNWSVEHBZWNI-NSHDSACASA-N 1 2 236.340 1.555 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccccn1 ZINC001204066483 966875029 /nfs/dbraw/zinc/87/50/29/966875029.db2.gz XJHJTTSCAMYSBF-KGYLQXTDSA-N 1 2 246.310 1.608 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccccn1 ZINC001204066483 966875032 /nfs/dbraw/zinc/87/50/32/966875032.db2.gz XJHJTTSCAMYSBF-KGYLQXTDSA-N 1 2 246.310 1.608 20 0 BDADLO C[C@H]1Cc2cc(C[NH2+]Cc3nnc[nH]3)ccc2O1 ZINC001204134996 966898232 /nfs/dbraw/zinc/89/82/32/966898232.db2.gz CKASPGMLNBMSRE-VIFPVBQESA-N 1 2 244.298 1.418 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccoc2)C1 ZINC001204245346 966941476 /nfs/dbraw/zinc/94/14/76/966941476.db2.gz JWVZFJBHWOCPHG-UHFFFAOYSA-N 1 2 209.245 1.275 20 0 BDADLO Nc1c2c(nn1-c1ccc[nH+]c1N)CCCC2 ZINC001212393649 967016225 /nfs/dbraw/zinc/01/62/25/967016225.db2.gz KXSDUOAPJDOCMD-UHFFFAOYSA-N 1 2 229.287 1.311 20 0 BDADLO c1csc(C[NH+]2CC3(C2)CCOCC3)n1 ZINC001204546253 967046948 /nfs/dbraw/zinc/04/69/48/967046948.db2.gz CPXVKRSCFDGRSG-UHFFFAOYSA-N 1 2 224.329 1.756 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2nccs2)C1 ZINC001204550449 967051963 /nfs/dbraw/zinc/05/19/63/967051963.db2.gz VAPGDDBVZDSKJN-MRVPVSSYSA-N 1 2 212.318 1.610 20 0 BDADLO Cc1c(C[N@@H+]2CCC(=O)[C@H](C)CC2)cnn1C ZINC001204569769 967053925 /nfs/dbraw/zinc/05/39/25/967053925.db2.gz OSOFSHLRHPLJGJ-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1c(C[N@H+]2CCC(=O)[C@H](C)CC2)cnn1C ZINC001204569769 967053928 /nfs/dbraw/zinc/05/39/28/967053928.db2.gz OSOFSHLRHPLJGJ-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC2(C1)CCCCO2 ZINC001204588007 967084884 /nfs/dbraw/zinc/08/48/84/967084884.db2.gz ROKBKJDUPWZAQA-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCOCC12CC2 ZINC001204591629 967088556 /nfs/dbraw/zinc/08/85/56/967088556.db2.gz GOHBCIVFWRXVFF-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Nc1cc(-c2ccc3nonc3c2)cc[nH+]1 ZINC001204946296 967251205 /nfs/dbraw/zinc/25/12/05/967251205.db2.gz ZRQZDZCLBLCVKB-UHFFFAOYSA-N 1 2 212.212 1.867 20 0 BDADLO NC(=O)CCCCCc1ccn2cc[nH+]c2c1 ZINC001250271159 967594253 /nfs/dbraw/zinc/59/42/53/967594253.db2.gz SOFRFISFZKVJPT-UHFFFAOYSA-N 1 2 231.299 1.923 20 0 BDADLO CN1C[C@@H](CNc2c[nH+]c3c(c2)CCC3)CC1=O ZINC001168724860 967641763 /nfs/dbraw/zinc/64/17/63/967641763.db2.gz BIWRYPAGPYDQPM-SNVBAGLBSA-N 1 2 245.326 1.461 20 0 BDADLO Cc1cc(NC[C@@H]2CC(=O)N(C)C2)c[nH+]c1C ZINC001168726258 967645664 /nfs/dbraw/zinc/64/56/64/967645664.db2.gz KEXSCTSDMFCMBT-NSHDSACASA-N 1 2 233.315 1.589 20 0 BDADLO CCO[C@@H](C)n1cc(CCn2cc[nH+]c2)cn1 ZINC001250315284 967676337 /nfs/dbraw/zinc/67/63/37/967676337.db2.gz HXXNFPZJIWJOQO-NSHDSACASA-N 1 2 234.303 1.877 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)cnc1OC ZINC001250315592 967678893 /nfs/dbraw/zinc/67/88/93/967678893.db2.gz QLKIDPJYQSKAGF-UHFFFAOYSA-N 1 2 233.271 1.538 20 0 BDADLO OCc1cc(F)cc(CCn2cc[nH+]c2)c1 ZINC001250320090 967697059 /nfs/dbraw/zinc/69/70/59/967697059.db2.gz YEIQPLLMXSPTJM-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO Cc1noc(Cc2ccc(N3CCCC3)[nH+]c2)n1 ZINC001250355923 967759630 /nfs/dbraw/zinc/75/96/30/967759630.db2.gz LRMGNGHVJSQEST-UHFFFAOYSA-N 1 2 244.298 1.964 20 0 BDADLO c1nocc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001205733032 967805332 /nfs/dbraw/zinc/80/53/32/967805332.db2.gz ZUWFGKQKDOIMCG-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO c1nocc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001205733032 967805341 /nfs/dbraw/zinc/80/53/41/967805341.db2.gz ZUWFGKQKDOIMCG-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1F ZINC001205770733 967817082 /nfs/dbraw/zinc/81/70/82/967817082.db2.gz OZJVHGWTXZSOLO-CMPLNLGQSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1F ZINC001205770733 967817086 /nfs/dbraw/zinc/81/70/86/967817086.db2.gz OZJVHGWTXZSOLO-CMPLNLGQSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncn(C)c3C2)n(C)n1 ZINC001205935475 967891032 /nfs/dbraw/zinc/89/10/32/967891032.db2.gz REWSKFDOEPQPFI-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncn(C)c3C2)n(C)n1 ZINC001205935475 967891039 /nfs/dbraw/zinc/89/10/39/967891039.db2.gz REWSKFDOEPQPFI-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO C=CC[NH+]1CCN(C(=O)C[C@H](C)CC)CC1 ZINC000020341532 967916012 /nfs/dbraw/zinc/91/60/12/967916012.db2.gz PQUUKEWLNCPAHX-GFCCVEGCSA-N 1 2 224.348 1.753 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)co1 ZINC001206047922 968011533 /nfs/dbraw/zinc/01/15/33/968011533.db2.gz BKTGOLYGRBDLRQ-DGCLKSJQSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)co1 ZINC001206047922 968011544 /nfs/dbraw/zinc/01/15/44/968011544.db2.gz BKTGOLYGRBDLRQ-DGCLKSJQSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)co1 ZINC001206047924 968013990 /nfs/dbraw/zinc/01/39/90/968013990.db2.gz BKTGOLYGRBDLRQ-WCQYABFASA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)co1 ZINC001206047924 968014005 /nfs/dbraw/zinc/01/40/05/968014005.db2.gz BKTGOLYGRBDLRQ-WCQYABFASA-N 1 2 236.315 1.984 20 0 BDADLO Nc1[nH+]cccc1CNc1ccc(CCO)nc1 ZINC001206108424 968065082 /nfs/dbraw/zinc/06/50/82/968065082.db2.gz HCESHPICGXDVKQ-UHFFFAOYSA-N 1 2 244.298 1.206 20 0 BDADLO CN(C)c1ccc2nc(C[NH+](C)C)[nH]c2c1 ZINC001250565253 968081917 /nfs/dbraw/zinc/08/19/17/968081917.db2.gz AHBAKHSKHULUFJ-UHFFFAOYSA-N 1 2 218.304 1.691 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cnn(C)c1 ZINC001118427981 968152092 /nfs/dbraw/zinc/15/20/92/968152092.db2.gz PFTDWCBOSBROBH-WCABBAIRSA-N 1 2 246.318 1.368 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2CC(C)(C)C2(C)C)C1=O ZINC001118496560 968165834 /nfs/dbraw/zinc/16/58/34/968165834.db2.gz YOKROKPAAVWIQO-SECBINFHSA-N 1 2 226.320 1.269 20 0 BDADLO CCN1OC[C@@H]([N@H+]2CC(C)(C)C2(C)C)C1=O ZINC001118496560 968165845 /nfs/dbraw/zinc/16/58/45/968165845.db2.gz YOKROKPAAVWIQO-SECBINFHSA-N 1 2 226.320 1.269 20 0 BDADLO O[C@H]1COCCN(c2cc3ccccc3c[nH+]2)C1 ZINC001164506559 968236681 /nfs/dbraw/zinc/23/66/81/968236681.db2.gz DYBLNWIEFCJSQP-CYBMUJFWSA-N 1 2 244.294 1.432 20 0 BDADLO C[C@@H](CCO)Nc1[nH+]cccc1[Si](C)(C)C ZINC001165867023 968297278 /nfs/dbraw/zinc/29/72/78/968297278.db2.gz NARRAQITTBEIIM-JTQLQIEISA-N 1 2 238.407 1.810 20 0 BDADLO COc1cnccc1C[N@@H+]1CC[C@@H](F)C1 ZINC001206450298 968315245 /nfs/dbraw/zinc/31/52/45/968315245.db2.gz ZEYAREJCXBSKEL-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1cnccc1C[N@H+]1CC[C@@H](F)C1 ZINC001206450298 968315248 /nfs/dbraw/zinc/31/52/48/968315248.db2.gz ZEYAREJCXBSKEL-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)CC ZINC001251799497 968335459 /nfs/dbraw/zinc/33/54/59/968335459.db2.gz AMMZKCCFQUJTTL-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+]C[C@H](C)O ZINC001251971405 968410409 /nfs/dbraw/zinc/41/04/09/968410409.db2.gz FTPCQYMVNLETIS-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001251970632 968411904 /nfs/dbraw/zinc/41/19/04/968411904.db2.gz YUHLRIXGQXLZDE-VIFPVBQESA-N 1 2 225.263 1.022 20 0 BDADLO Cc1c(F)cc[nH+]c1N(C)C1(C)COC1 ZINC001166985537 968415647 /nfs/dbraw/zinc/41/56/47/968415647.db2.gz AZPPSJXESYWGNZ-UHFFFAOYSA-N 1 2 210.252 1.754 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cs1 ZINC001206800196 968481168 /nfs/dbraw/zinc/48/11/68/968481168.db2.gz YFISMKUKRISBIL-ZJUUUORDSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)cs1 ZINC001206800196 968481174 /nfs/dbraw/zinc/48/11/74/968481174.db2.gz YFISMKUKRISBIL-ZJUUUORDSA-N 1 2 230.308 1.356 20 0 BDADLO O[C@H]1CCCC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206854991 968502068 /nfs/dbraw/zinc/50/20/68/968502068.db2.gz KLEILDZATLNZOC-VIFPVBQESA-N 1 2 242.269 1.707 20 0 BDADLO O[C@H]1CCCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206854991 968502073 /nfs/dbraw/zinc/50/20/73/968502073.db2.gz KLEILDZATLNZOC-VIFPVBQESA-N 1 2 242.269 1.707 20 0 BDADLO O[C@@H]1CCCC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206854990 968504161 /nfs/dbraw/zinc/50/41/61/968504161.db2.gz KLEILDZATLNZOC-SECBINFHSA-N 1 2 242.269 1.707 20 0 BDADLO O[C@@H]1CCCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206854990 968504168 /nfs/dbraw/zinc/50/41/68/968504168.db2.gz KLEILDZATLNZOC-SECBINFHSA-N 1 2 242.269 1.707 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCCOCC1 ZINC000164135710 968508907 /nfs/dbraw/zinc/50/89/07/968508907.db2.gz HPJYVPKYXAZRNR-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@@H]1[C@H](CO)CCN1Cc1[nH+]cc2ccccn21 ZINC001207047791 968576614 /nfs/dbraw/zinc/57/66/14/968576614.db2.gz AWIYRZVROMTJGG-NEPJUHHUSA-N 1 2 245.326 1.537 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048481 968580349 /nfs/dbraw/zinc/58/03/49/968580349.db2.gz QVHSTAVHZQQXIS-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048481 968580359 /nfs/dbraw/zinc/58/03/59/968580359.db2.gz QVHSTAVHZQQXIS-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048810 968581306 /nfs/dbraw/zinc/58/13/06/968581306.db2.gz KPSGGPDVSCCQCE-LBPRGKRZSA-N 1 2 231.299 1.555 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048810 968581311 /nfs/dbraw/zinc/58/13/11/968581311.db2.gz KPSGGPDVSCCQCE-LBPRGKRZSA-N 1 2 231.299 1.555 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)s1 ZINC001207058777 968589040 /nfs/dbraw/zinc/58/90/40/968589040.db2.gz LMDQJJUYQKITFX-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)s1 ZINC001207058777 968589042 /nfs/dbraw/zinc/58/90/42/968589042.db2.gz LMDQJJUYQKITFX-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)s1 ZINC001207062673 968590927 /nfs/dbraw/zinc/59/09/27/968590927.db2.gz ITRHKOABEWBTJC-UWVGGRQHSA-N 1 2 223.345 1.340 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)s1 ZINC001207062673 968590936 /nfs/dbraw/zinc/59/09/36/968590936.db2.gz ITRHKOABEWBTJC-UWVGGRQHSA-N 1 2 223.345 1.340 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207070124 968599347 /nfs/dbraw/zinc/59/93/47/968599347.db2.gz HKEUKUWFDTUATO-LBPRGKRZSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207070124 968599357 /nfs/dbraw/zinc/59/93/57/968599357.db2.gz HKEUKUWFDTUATO-LBPRGKRZSA-N 1 2 236.315 1.644 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1ncc(F)cc1F ZINC001207089786 968621020 /nfs/dbraw/zinc/62/10/20/968621020.db2.gz BZDOCHQHPBCJKS-JTQLQIEISA-N 1 2 242.269 1.707 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1ncc(F)cc1F ZINC001207089786 968621024 /nfs/dbraw/zinc/62/10/24/968621024.db2.gz BZDOCHQHPBCJKS-JTQLQIEISA-N 1 2 242.269 1.707 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ncc(F)cc1F ZINC001207093367 968625940 /nfs/dbraw/zinc/62/59/40/968625940.db2.gz LYFKIHMWBXNEIG-PSASIEDQSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ncc(F)cc1F ZINC001207093367 968625948 /nfs/dbraw/zinc/62/59/48/968625948.db2.gz LYFKIHMWBXNEIG-PSASIEDQSA-N 1 2 242.269 1.705 20 0 BDADLO Fc1cnc(C[NH+]2CC(C3COC3)C2)c(F)c1 ZINC001207091471 968626786 /nfs/dbraw/zinc/62/67/86/968626786.db2.gz VCOQCMQZXBCUOK-UHFFFAOYSA-N 1 2 240.253 1.438 20 0 BDADLO CC(C)(O)CNc1ccn2cc[nH+]c2c1 ZINC001252351442 968628261 /nfs/dbraw/zinc/62/82/61/968628261.db2.gz UIFSOLHIMCAQQM-UHFFFAOYSA-N 1 2 205.261 1.517 20 0 BDADLO Cc1cncc(C[NH2+][C@@H](C)c2cnn(C)n2)c1 ZINC000825249755 968640820 /nfs/dbraw/zinc/64/08/20/968640820.db2.gz AEPBRIGPPVIQSL-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CCn1ccnc1C[N@H+](CC)CCn1cccn1 ZINC001207146629 968656420 /nfs/dbraw/zinc/65/64/20/968656420.db2.gz ZZCJIBKBJCEYFR-UHFFFAOYSA-N 1 2 247.346 1.622 20 0 BDADLO CCn1ccnc1C[N@@H+](CC)CCn1cccn1 ZINC001207146629 968656427 /nfs/dbraw/zinc/65/64/27/968656427.db2.gz ZZCJIBKBJCEYFR-UHFFFAOYSA-N 1 2 247.346 1.622 20 0 BDADLO CCn1ccnc1C[NH+]1CC([C@@H](C)OC)C1 ZINC001207146847 968657247 /nfs/dbraw/zinc/65/72/47/968657247.db2.gz LVPZLEHGZOFGQJ-SNVBAGLBSA-N 1 2 223.320 1.370 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001207153938 968661900 /nfs/dbraw/zinc/66/19/00/968661900.db2.gz ITXVXEUUKAOXNB-OLZOCXBDSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001207153938 968661903 /nfs/dbraw/zinc/66/19/03/968661903.db2.gz ITXVXEUUKAOXNB-OLZOCXBDSA-N 1 2 238.306 1.542 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC001207162767 968671322 /nfs/dbraw/zinc/67/13/22/968671322.db2.gz YGSBOJISSWBTLY-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC001207162767 968671325 /nfs/dbraw/zinc/67/13/25/968671325.db2.gz YGSBOJISSWBTLY-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO COC1C[NH+](CCOCc2ccccc2)C1 ZINC001207227668 968688057 /nfs/dbraw/zinc/68/80/57/968688057.db2.gz AXSXLUIKKUOICU-UHFFFAOYSA-N 1 2 221.300 1.534 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001085447382 968718051 /nfs/dbraw/zinc/71/80/51/968718051.db2.gz AQVGNZYHTFHEMJ-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001085447382 968718057 /nfs/dbraw/zinc/71/80/57/968718057.db2.gz AQVGNZYHTFHEMJ-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC1(C)C[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CCO1 ZINC001207368633 968742333 /nfs/dbraw/zinc/74/23/33/968742333.db2.gz ZEBOJHBQLVJINC-DCAQKATOSA-N 1 2 239.315 1.191 20 0 BDADLO CC1(C)C[C@@H](C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CCO1 ZINC001207368633 968742339 /nfs/dbraw/zinc/74/23/39/968742339.db2.gz ZEBOJHBQLVJINC-DCAQKATOSA-N 1 2 239.315 1.191 20 0 BDADLO COc1ccccc1CC[N@H+]1CCN(C)C(=O)C1 ZINC001207453624 968780183 /nfs/dbraw/zinc/78/01/83/968780183.db2.gz KMBZOWIEBXATDS-UHFFFAOYSA-N 1 2 248.326 1.012 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC001207453624 968780176 /nfs/dbraw/zinc/78/01/76/968780176.db2.gz KMBZOWIEBXATDS-UHFFFAOYSA-N 1 2 248.326 1.012 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001085764903 968848240 /nfs/dbraw/zinc/84/82/40/968848240.db2.gz JAIZBZIETMKJLY-OUAUKWLOSA-N 1 2 228.311 1.145 20 0 BDADLO Cc1[nH+]c2ccccn2c1NS(C)(=O)=O ZINC001252635509 968890944 /nfs/dbraw/zinc/89/09/44/968890944.db2.gz PPXJSPUWVAFFIG-UHFFFAOYSA-N 1 2 225.273 1.014 20 0 BDADLO c1cc([C@@H]2C[N@H+](C[C@H]3CCCO3)CCO2)ccn1 ZINC001207887294 968914609 /nfs/dbraw/zinc/91/46/09/968914609.db2.gz FRAHZGWJQPEJQO-KGLIPLIRSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)ccn1 ZINC001207887294 968914614 /nfs/dbraw/zinc/91/46/14/968914614.db2.gz FRAHZGWJQPEJQO-KGLIPLIRSA-N 1 2 248.326 1.634 20 0 BDADLO NC(=O)CCc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241169745 968941525 /nfs/dbraw/zinc/94/15/25/968941525.db2.gz NSVHRZIOABTDRL-UHFFFAOYSA-N 1 2 241.294 1.749 20 0 BDADLO COC(=O)c1cc(C)c(-c2cc[nH+]c(N)c2)cn1 ZINC001241163714 968944946 /nfs/dbraw/zinc/94/49/46/968944946.db2.gz YPYJEUWVWCTIOJ-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001252778411 968952233 /nfs/dbraw/zinc/95/22/33/968952233.db2.gz KMTDVYBZDCQTDZ-UWVGGRQHSA-N 1 2 237.290 1.239 20 0 BDADLO CCC[C@H](O)C[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001252778411 968952239 /nfs/dbraw/zinc/95/22/39/968952239.db2.gz KMTDVYBZDCQTDZ-UWVGGRQHSA-N 1 2 237.290 1.239 20 0 BDADLO CCC[C@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001252789648 968969250 /nfs/dbraw/zinc/96/92/50/968969250.db2.gz WVISDMZGDQXVNM-ZDUSSCGKSA-N 1 2 235.327 1.962 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001252789648 968969253 /nfs/dbraw/zinc/96/92/53/968969253.db2.gz WVISDMZGDQXVNM-ZDUSSCGKSA-N 1 2 235.327 1.962 20 0 BDADLO CCC[C@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252806297 968993937 /nfs/dbraw/zinc/99/39/37/968993937.db2.gz SEHKRLSZZQAQMX-VIFPVBQESA-N 1 2 225.292 1.118 20 0 BDADLO CN(C)CC[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001208127242 969021138 /nfs/dbraw/zinc/02/11/38/969021138.db2.gz VBHXUUFSJOQDSB-HNNXBMFYSA-N 1 2 248.370 1.839 20 0 BDADLO CN(C)CC[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001208127242 969021146 /nfs/dbraw/zinc/02/11/46/969021146.db2.gz VBHXUUFSJOQDSB-HNNXBMFYSA-N 1 2 248.370 1.839 20 0 BDADLO C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1COC1 ZINC001253359865 969137331 /nfs/dbraw/zinc/13/73/31/969137331.db2.gz UVOWLHUQPMCOFM-LBPRGKRZSA-N 1 2 243.253 1.329 20 0 BDADLO C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1COC1 ZINC001253359865 969137336 /nfs/dbraw/zinc/13/73/36/969137336.db2.gz UVOWLHUQPMCOFM-LBPRGKRZSA-N 1 2 243.253 1.329 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000383560964 969181727 /nfs/dbraw/zinc/18/17/27/969181727.db2.gz DXBAFCDUDJPHJH-MRVPVSSYSA-N 1 2 234.303 1.876 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001329549777 969202671 /nfs/dbraw/zinc/20/26/71/969202671.db2.gz YYFGMSPJUBQVMM-UWVGGRQHSA-N 1 2 246.318 1.116 20 0 BDADLO CCCCC[C@H](O)C[N@H+](C)CC(=O)OCC ZINC001253530027 969205266 /nfs/dbraw/zinc/20/52/66/969205266.db2.gz VARUUAUWZRMYAW-NSHDSACASA-N 1 2 231.336 1.423 20 0 BDADLO CCCCC[C@H](O)C[N@@H+](C)CC(=O)OCC ZINC001253530027 969205274 /nfs/dbraw/zinc/20/52/74/969205274.db2.gz VARUUAUWZRMYAW-NSHDSACASA-N 1 2 231.336 1.423 20 0 BDADLO COC(=O)C1(C)CCC([N@@H+]2CCC(=O)C2)CC1 ZINC001168787745 969214290 /nfs/dbraw/zinc/21/42/90/969214290.db2.gz MAKWZTXYIZCOKY-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)C1(C)CCC([N@H+]2CCC(=O)C2)CC1 ZINC001168787745 969214299 /nfs/dbraw/zinc/21/42/99/969214299.db2.gz MAKWZTXYIZCOKY-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO CCCCC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001253552253 969225427 /nfs/dbraw/zinc/22/54/27/969225427.db2.gz WCMUFZIXMCTSKY-NSHDSACASA-N 1 2 245.363 1.859 20 0 BDADLO C[C@@H](c1nc(-c2cccnc2)no1)n1cc[nH+]c1 ZINC000349796459 969315350 /nfs/dbraw/zinc/31/53/50/969315350.db2.gz JXXGJZMNIQQQPY-VIFPVBQESA-N 1 2 241.254 1.937 20 0 BDADLO Cc1noc(C2([NH2+]C[C@H](O)C(C)(C)C)CC2)n1 ZINC001253746775 969364798 /nfs/dbraw/zinc/36/47/98/969364798.db2.gz CEKSFWLYEURTKG-VIFPVBQESA-N 1 2 239.319 1.364 20 0 BDADLO CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC001253745282 969365068 /nfs/dbraw/zinc/36/50/68/969365068.db2.gz CWXZUVDQNKEQGK-UWVGGRQHSA-N 1 2 231.336 1.325 20 0 BDADLO CCn1c[nH+]cc1CNc1cccc(C(N)=O)c1 ZINC000090169928 969368047 /nfs/dbraw/zinc/36/80/47/969368047.db2.gz DTZSLBJMXWHJDW-UHFFFAOYSA-N 1 2 244.298 1.614 20 0 BDADLO CCOc1cc[nH+]cc1NC[C@H](O)C(C)C ZINC001253753044 969369368 /nfs/dbraw/zinc/36/93/68/969369368.db2.gz LNGNPSADYYIIAB-NSHDSACASA-N 1 2 224.304 1.909 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253758444 969378457 /nfs/dbraw/zinc/37/84/57/969378457.db2.gz YQAUJLBUQDLLBQ-NXEZZACHSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253758444 969378463 /nfs/dbraw/zinc/37/84/63/969378463.db2.gz YQAUJLBUQDLLBQ-NXEZZACHSA-N 1 2 217.284 1.006 20 0 BDADLO COc1c[nH+]c(N[C@H]2COC(=O)C2)cc1C ZINC001169120564 969413432 /nfs/dbraw/zinc/41/34/32/969413432.db2.gz LKKFJCDVBFVEDM-MRVPVSSYSA-N 1 2 222.244 1.126 20 0 BDADLO Cc1cc(N[C@H]2COC(=O)C2)c[nH+]c1C ZINC001169121835 969416702 /nfs/dbraw/zinc/41/67/02/969416702.db2.gz RTSMNWVUVGFKJQ-SNVBAGLBSA-N 1 2 206.245 1.426 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@H+](CC1Cc3ccccc3C1)C2 ZINC001209323009 969442126 /nfs/dbraw/zinc/44/21/26/969442126.db2.gz KXWFCIMUKHEVHW-KBPBESRZSA-N 1 2 243.306 1.401 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001209323009 969442141 /nfs/dbraw/zinc/44/21/41/969442141.db2.gz KXWFCIMUKHEVHW-KBPBESRZSA-N 1 2 243.306 1.401 20 0 BDADLO FC1(F)CO[C@@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001209568311 969549769 /nfs/dbraw/zinc/54/97/69/969549769.db2.gz PMUFYJRTVSSTRE-JTQLQIEISA-N 1 2 244.241 1.675 20 0 BDADLO FC1(F)CO[C@@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001209568311 969549777 /nfs/dbraw/zinc/54/97/77/969549777.db2.gz PMUFYJRTVSSTRE-JTQLQIEISA-N 1 2 244.241 1.675 20 0 BDADLO O=C1OCCC12CC[NH+](Cc1ccon1)CC2 ZINC001209567926 969550827 /nfs/dbraw/zinc/55/08/27/969550827.db2.gz NOJZCONWPZPXKV-UHFFFAOYSA-N 1 2 236.271 1.204 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)[nH]1 ZINC001209575338 969557120 /nfs/dbraw/zinc/55/71/20/969557120.db2.gz CEUZFRSWFQXALY-VXGBXAGGSA-N 1 2 206.289 1.686 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)[nH]1 ZINC001209575338 969557126 /nfs/dbraw/zinc/55/71/26/969557126.db2.gz CEUZFRSWFQXALY-VXGBXAGGSA-N 1 2 206.289 1.686 20 0 BDADLO COc1cc(C[N@H+](C)Cc2ccncn2)ccn1 ZINC001209645086 969568405 /nfs/dbraw/zinc/56/84/05/969568405.db2.gz PWXYXHOVJMIIPG-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2ccncn2)ccn1 ZINC001209645086 969568408 /nfs/dbraw/zinc/56/84/08/969568408.db2.gz PWXYXHOVJMIIPG-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cc(C[N@H+]2CCC(=O)[C@H](C)CC2)ccn1 ZINC001209637628 969570067 /nfs/dbraw/zinc/57/00/67/969570067.db2.gz LIWNVXANJSYHSB-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1cc(C[N@@H+]2CCC(=O)[C@H](C)CC2)ccn1 ZINC001209637628 969570069 /nfs/dbraw/zinc/57/00/69/969570069.db2.gz LIWNVXANJSYHSB-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO CN(C)c1ccccc1C[NH+]1CCN(C#N)CC1 ZINC001209782595 969615528 /nfs/dbraw/zinc/61/55/28/969615528.db2.gz TYRFCKWLAXXQPP-UHFFFAOYSA-N 1 2 244.342 1.351 20 0 BDADLO C[C@@H](c1nc(-c2nccn2C)no1)n1cc[nH+]c1 ZINC001254841114 969802136 /nfs/dbraw/zinc/80/21/36/969802136.db2.gz DVWOQXZUZMLUAQ-QMMMGPOBSA-N 1 2 244.258 1.276 20 0 BDADLO O=C1C[C@@H]2CC([N@H+]3CCn4nccc4C3)C[C@H]2C1 ZINC001254963556 969843295 /nfs/dbraw/zinc/84/32/95/969843295.db2.gz JKGMUUPTLYYKAV-QWRGUYRKSA-N 1 2 245.326 1.456 20 0 BDADLO O=C1C[C@@H]2CC([N@@H+]3CCn4nccc4C3)C[C@H]2C1 ZINC001254963556 969843294 /nfs/dbraw/zinc/84/32/94/969843294.db2.gz JKGMUUPTLYYKAV-QWRGUYRKSA-N 1 2 245.326 1.456 20 0 BDADLO CCOc1cnc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210286884 969854689 /nfs/dbraw/zinc/85/46/89/969854689.db2.gz GARIMCYPHHPEOB-UHFFFAOYSA-N 1 2 245.286 1.905 20 0 BDADLO Cc1[nH+]cc(Nc2cnc3cnccn32)cc1N ZINC001210289166 969855971 /nfs/dbraw/zinc/85/59/71/969855971.db2.gz XHXVFJYIJWOPTF-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO Cc1cncnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288326 969856769 /nfs/dbraw/zinc/85/67/69/969856769.db2.gz MFMPSIHXXXHEOK-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001255314342 970084880 /nfs/dbraw/zinc/08/48/80/970084880.db2.gz JDTPWGSFECOSSY-MNOVXSKESA-N 1 2 245.363 1.857 20 0 BDADLO CCCC[C@H](C)[NH+]1CC(S(C)(=O)=O)C1 ZINC001255331078 970112357 /nfs/dbraw/zinc/11/23/57/970112357.db2.gz YYAATDQXOYXQBS-VIFPVBQESA-N 1 2 219.350 1.294 20 0 BDADLO CCOc1cccc(C[NH+]2CC(O)C2)c1 ZINC000291453532 970180408 /nfs/dbraw/zinc/18/04/08/970180408.db2.gz MIJHCYLRIAVYLK-UHFFFAOYSA-N 1 2 207.273 1.262 20 0 BDADLO C[C@H]1Oc2ccc(-c3c[nH+]cn3C)cc2NC1=O ZINC001243068975 970261344 /nfs/dbraw/zinc/26/13/44/970261344.db2.gz LPRWTJUCJCYRDY-MRVPVSSYSA-N 1 2 243.266 1.807 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(ccn(C)c2=O)c1 ZINC001243069046 970262619 /nfs/dbraw/zinc/26/26/19/970262619.db2.gz NPUPFCFLEDQROD-UHFFFAOYSA-N 1 2 239.278 1.939 20 0 BDADLO Cc1cc(C)c(Nc2cncc(C(N)=O)c2)c[nH+]1 ZINC001213505788 970324254 /nfs/dbraw/zinc/32/42/54/970324254.db2.gz PQHKIKJAJGNWAN-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1cc(C)c(-n2ccc(=O)c(N)c2)c[nH+]1 ZINC001213507935 970329860 /nfs/dbraw/zinc/32/98/60/970329860.db2.gz HQGSAVPTSDXIHH-UHFFFAOYSA-N 1 2 215.256 1.432 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ccc(OC)nn1 ZINC001157459556 970332150 /nfs/dbraw/zinc/33/21/50/970332150.db2.gz ADJMWSGZSWYACR-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO Cc1cc(C)c(Nc2ncccc2C(N)=O)c[nH+]1 ZINC001213508122 970333873 /nfs/dbraw/zinc/33/38/73/970333873.db2.gz LSOFOFJMLJPQCY-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001255581325 970380904 /nfs/dbraw/zinc/38/09/04/970380904.db2.gz KQUDHQMNVDEXNW-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001255581325 970380911 /nfs/dbraw/zinc/38/09/11/970380911.db2.gz KQUDHQMNVDEXNW-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001255581321 970383469 /nfs/dbraw/zinc/38/34/69/970383469.db2.gz KQUDHQMNVDEXNW-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001255581321 970383473 /nfs/dbraw/zinc/38/34/73/970383473.db2.gz KQUDHQMNVDEXNW-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO C[C@@H](c1nnc(C2CCOCC2)o1)[NH+](C)C ZINC001255679399 970449937 /nfs/dbraw/zinc/44/99/37/970449937.db2.gz IBLJRKYNHUKPLD-QMMMGPOBSA-N 1 2 225.292 1.586 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+]C2(C(=O)OC)CC2)CCO1 ZINC001170164190 970516072 /nfs/dbraw/zinc/51/60/72/970516072.db2.gz DYEGSWMWTLXQSR-UWVGGRQHSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H]2CC(C)(C)O2)c1C(N)=O ZINC001157662467 970524735 /nfs/dbraw/zinc/52/47/35/970524735.db2.gz HNWPSQLKUPELKQ-VIFPVBQESA-N 1 2 249.314 1.468 20 0 BDADLO COC(=O)C[C@H](C)Nc1cc(N)cc(Cl)[nH+]1 ZINC000304537497 970613899 /nfs/dbraw/zinc/61/38/99/970613899.db2.gz RVCLWLZQBOVOJO-LURJTMIESA-N 1 2 243.694 1.681 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000401721244 970723068 /nfs/dbraw/zinc/72/30/68/970723068.db2.gz YKXVOAPGERYAMW-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000401721244 970723079 /nfs/dbraw/zinc/72/30/79/970723079.db2.gz YKXVOAPGERYAMW-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H](C)CCC(C)C ZINC001256352773 970737838 /nfs/dbraw/zinc/73/78/38/970737838.db2.gz KIUNTXNDAKQEQO-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1C ZINC001144108025 972573249 /nfs/dbraw/zinc/57/32/49/972573249.db2.gz RUCMGAIWJMKQQE-LBPRGKRZSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(O)c1C ZINC001144108025 972573257 /nfs/dbraw/zinc/57/32/57/972573257.db2.gz RUCMGAIWJMKQQE-LBPRGKRZSA-N 1 2 249.310 1.838 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001144108545 972579745 /nfs/dbraw/zinc/57/97/45/972579745.db2.gz YJGYSICCZIVWCF-DGCLKSJQSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001144108545 972579756 /nfs/dbraw/zinc/57/97/56/972579756.db2.gz YJGYSICCZIVWCF-DGCLKSJQSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1c([C@@H](C)OCc2c[nH+]cn2C)cnn1C ZINC001222585157 972583920 /nfs/dbraw/zinc/58/39/20/972583920.db2.gz FPNKJPGOCNNEEK-SNVBAGLBSA-N 1 2 234.303 1.740 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]1OCc1c[nH+]cn1C ZINC001222600116 972600260 /nfs/dbraw/zinc/60/02/60/972600260.db2.gz JVXZWVFUCDWHAP-MNOVXSKESA-N 1 2 238.287 1.278 20 0 BDADLO c1cn(Cc2nc([C@H]3CCCOC3)no2)c[nH+]1 ZINC001327625243 972671851 /nfs/dbraw/zinc/67/18/51/972671851.db2.gz NFOUGUOZVZPIIZ-VIFPVBQESA-N 1 2 234.259 1.208 20 0 BDADLO COC(=O)C[C@@H](C)Nc1nc(C)[nH+]cc1C ZINC001160529461 972705020 /nfs/dbraw/zinc/70/50/20/972705020.db2.gz ZUPWFSIAMJSSDO-MRVPVSSYSA-N 1 2 223.276 1.457 20 0 BDADLO CCN(C(=O)Cc1ccccc1O)C1C[NH+](C)C1 ZINC001144256366 972707916 /nfs/dbraw/zinc/70/79/16/972707916.db2.gz FWVWCIROHBHSNJ-UHFFFAOYSA-N 1 2 248.326 1.097 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccc(O)cn1)C2 ZINC001144262822 972719071 /nfs/dbraw/zinc/71/90/71/972719071.db2.gz IXXUYAORBHKBNT-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(O)cn2)CCCC1=O ZINC001144253318 972719520 /nfs/dbraw/zinc/71/95/20/972719520.db2.gz RPDLHIXASSKTRM-SNVBAGLBSA-N 1 2 234.299 1.588 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(O)cn2)CCCC1=O ZINC001144253318 972719529 /nfs/dbraw/zinc/71/95/29/972719529.db2.gz RPDLHIXASSKTRM-SNVBAGLBSA-N 1 2 234.299 1.588 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(O)cn1 ZINC001144264253 972722583 /nfs/dbraw/zinc/72/25/83/972722583.db2.gz OJTGJZFQRPLMHF-CYBMUJFWSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(O)cn1 ZINC001144264253 972722589 /nfs/dbraw/zinc/72/25/89/972722589.db2.gz OJTGJZFQRPLMHF-CYBMUJFWSA-N 1 2 236.315 1.644 20 0 BDADLO C[NH+]1CC(NC(=O)[C@]2(C)C[C@@H]3C=C[C@H]2C3)C1 ZINC001144284304 972738813 /nfs/dbraw/zinc/73/88/13/972738813.db2.gz PZSAAVXNFFHXEI-GBIKHYSHSA-N 1 2 220.316 1.019 20 0 BDADLO CN1CCC12C[NH+](CC1OC=CC1=S)C2 ZINC001276848483 972741913 /nfs/dbraw/zinc/74/19/13/972741913.db2.gz UGGYQZCNASMWND-UHFFFAOYSA-N 1 2 224.329 1.458 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)C(C)(C)C ZINC001327863228 972762676 /nfs/dbraw/zinc/76/26/76/972762676.db2.gz GBCOQAPZLRXFLQ-WDEREUQCSA-N 1 2 245.363 1.571 20 0 BDADLO c1[nH]cc(CCc2nc(CC3CC3)no2)[nH+]1 ZINC001327858873 972762774 /nfs/dbraw/zinc/76/27/74/972762774.db2.gz QVAKXZQOIJSMAT-UHFFFAOYSA-N 1 2 218.260 1.530 20 0 BDADLO C[C@H](CC(=O)NC1C[NH+](C)C1)c1ccccc1 ZINC001144430078 972813216 /nfs/dbraw/zinc/81/32/16/972813216.db2.gz MVOSVDHNMKMQMR-LLVKDONJSA-N 1 2 232.327 1.610 20 0 BDADLO C[NH+]1CC(NC(=O)CC(C)(C)c2ccccc2)C1 ZINC001144733320 972982554 /nfs/dbraw/zinc/98/25/54/972982554.db2.gz JPQPGKUCAPDAGW-UHFFFAOYSA-N 1 2 246.354 1.785 20 0 BDADLO CCC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091418849 973054490 /nfs/dbraw/zinc/05/44/90/973054490.db2.gz MSYLNWPAMRGJIT-XYPYZODXSA-N 1 2 248.330 1.502 20 0 BDADLO C[C@@H](C(=O)NCC[C@@H]1CC1(F)F)n1cc[nH+]c1 ZINC001328595166 973181093 /nfs/dbraw/zinc/18/10/93/973181093.db2.gz PVUVDEQIWXECMG-DTWKUNHWSA-N 1 2 243.257 1.606 20 0 BDADLO CCOC(=O)[C@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001223622058 973198029 /nfs/dbraw/zinc/19/80/29/973198029.db2.gz PSBZKQKDTRMBGE-CYBMUJFWSA-N 1 2 249.310 1.621 20 0 BDADLO O=C(C1CC=CC1)N1CCc2[nH+]ccn2CC1 ZINC001146695682 973213898 /nfs/dbraw/zinc/21/38/98/973213898.db2.gz NBWSPAZVWXJMHP-UHFFFAOYSA-N 1 2 231.299 1.234 20 0 BDADLO O=C(CC1CCOCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001328726933 973313120 /nfs/dbraw/zinc/31/31/20/973313120.db2.gz TYCYTUNYAHKYHR-LLVKDONJSA-N 1 2 249.314 1.261 20 0 BDADLO C[NH+]1CC(OCc2cccc3ocnc32)C1 ZINC001224050546 973426841 /nfs/dbraw/zinc/42/68/41/973426841.db2.gz WZVDXVUMFWIREK-UHFFFAOYSA-N 1 2 218.256 1.658 20 0 BDADLO C[C@H](C(=O)NC1(C)CC=CC1)n1cc[nH+]c1 ZINC001329089899 973470559 /nfs/dbraw/zinc/47/05/59/973470559.db2.gz UNHKJQWKVIXOMR-SNVBAGLBSA-N 1 2 219.288 1.669 20 0 BDADLO O=C(C[C@H]1CCCOC1)N[C@H]1CCn2c[nH+]cc21 ZINC001329104247 973485497 /nfs/dbraw/zinc/48/54/97/973485497.db2.gz FSGYGGARTDNHQL-MNOVXSKESA-N 1 2 249.314 1.261 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000234896403 973781995 /nfs/dbraw/zinc/78/19/95/973781995.db2.gz GRHDMYQRDUUVSU-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000234896403 973782004 /nfs/dbraw/zinc/78/20/04/973782004.db2.gz GRHDMYQRDUUVSU-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO Cc1csc(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC000045034552 973856150 /nfs/dbraw/zinc/85/61/50/973856150.db2.gz ORUIFKLOGZIELZ-QMMMGPOBSA-N 1 2 236.300 1.848 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)c1cccc(O)c1 ZINC000045137365 973866823 /nfs/dbraw/zinc/86/68/23/973866823.db2.gz MVCMBOBNUBCWRS-UHFFFAOYSA-N 1 2 245.282 1.098 20 0 BDADLO CCCC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001276991373 973879011 /nfs/dbraw/zinc/87/90/11/973879011.db2.gz DDHACKOGHIARSN-UHFFFAOYSA-N 1 2 248.330 1.015 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2CCC1CC2 ZINC001329904690 974016009 /nfs/dbraw/zinc/01/60/09/974016009.db2.gz MJLVXJDXVMDRSH-ZBOXLXRLSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2CCC1CC2 ZINC001329904690 974016021 /nfs/dbraw/zinc/01/60/21/974016021.db2.gz MJLVXJDXVMDRSH-ZBOXLXRLSA-N 1 2 247.342 1.989 20 0 BDADLO Cc1nc(NCCNC(=O)[C@H]2CC23CC3)cc[nH+]1 ZINC001094146884 974048722 /nfs/dbraw/zinc/04/87/22/974048722.db2.gz IFYYTLWCMNMWLM-SNVBAGLBSA-N 1 2 246.314 1.113 20 0 BDADLO Cc1ocnc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001330212701 974160419 /nfs/dbraw/zinc/16/04/19/974160419.db2.gz CMHXFEUYLXMFOX-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1ocnc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001330212701 974160421 /nfs/dbraw/zinc/16/04/21/974160421.db2.gz CMHXFEUYLXMFOX-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO N#CN1CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171811799 974205036 /nfs/dbraw/zinc/20/50/36/974205036.db2.gz ILLXTBMHRCZTQI-GFCCVEGCSA-N 1 2 245.301 1.392 20 0 BDADLO O=C1C[C@@H]([N@@H+]2CCC(F)(F)C2)CCN1C1CC1 ZINC001172007443 974251289 /nfs/dbraw/zinc/25/12/89/974251289.db2.gz JJRSXCQAWKTTRZ-JTQLQIEISA-N 1 2 244.285 1.481 20 0 BDADLO O=C1C[C@@H]([N@H+]2CCC(F)(F)C2)CCN1C1CC1 ZINC001172007443 974251304 /nfs/dbraw/zinc/25/13/04/974251304.db2.gz JJRSXCQAWKTTRZ-JTQLQIEISA-N 1 2 244.285 1.481 20 0 BDADLO C[C@H](C(=O)NC/C=C/C1CC1)n1cc[nH+]c1 ZINC001330461306 974267287 /nfs/dbraw/zinc/26/72/87/974267287.db2.gz LWESQNOMQOACOW-VMZHVLLKSA-N 1 2 219.288 1.527 20 0 BDADLO O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCC(F)(F)C3)CCN12 ZINC001172165917 974427894 /nfs/dbraw/zinc/42/78/94/974427894.db2.gz KWBWUYOHGYUJDO-VHSXEESVSA-N 1 2 244.285 1.481 20 0 BDADLO O=C1CC[C@@H]2C[C@@H]([N@H+]3CCC(F)(F)C3)CCN12 ZINC001172165917 974427899 /nfs/dbraw/zinc/42/78/99/974427899.db2.gz KWBWUYOHGYUJDO-VHSXEESVSA-N 1 2 244.285 1.481 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)C(=O)OC(C)(C)C ZINC000300700098 974441301 /nfs/dbraw/zinc/44/13/01/974441301.db2.gz YPPPLXYTLOFWCD-DCAQKATOSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NCc2c[nH+]cn2C)CCC1=O ZINC001330751344 974452643 /nfs/dbraw/zinc/45/26/43/974452643.db2.gz GPHOEZKJMVTRNR-NXEZZACHSA-N 1 2 249.314 1.042 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(C)C ZINC001172271692 974486759 /nfs/dbraw/zinc/48/67/59/974486759.db2.gz PFDAWXIAPBXXCW-QWRGUYRKSA-N 1 2 243.347 1.731 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C)c(C(=O)OC)c2)C1 ZINC001225438199 974491366 /nfs/dbraw/zinc/49/13/66/974491366.db2.gz VPJLUSJKDKFDJR-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)[NH2+]CC(=O)OC ZINC001172318630 974527919 /nfs/dbraw/zinc/52/79/19/974527919.db2.gz KJNDYCTYLUJTRZ-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO CC(C(=O)NCc1c[nH+]cn1C)=C1CCC1 ZINC001330917309 974532002 /nfs/dbraw/zinc/53/20/02/974532002.db2.gz UCUSZUQNTVSNIE-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO CC(C)[NH+]1CC(Oc2cc(=O)cc[nH]2)C1 ZINC001225604892 974591235 /nfs/dbraw/zinc/59/12/35/974591235.db2.gz NBRLWLSJSAWBQV-UHFFFAOYSA-N 1 2 208.261 1.259 20 0 BDADLO C[C@H](C(=O)N[C@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001331283793 974671026 /nfs/dbraw/zinc/67/10/26/974671026.db2.gz WRLMIIVBCRDLLN-BXKDBHETSA-N 1 2 221.304 1.749 20 0 BDADLO CCOCC[C@@H](C)[NH2+]C(C)(C)C(=O)OCC ZINC001172412526 974677691 /nfs/dbraw/zinc/67/76/91/974677691.db2.gz YCFOWESBUAEQIR-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO C[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)CC1(C)C ZINC001331503651 974744037 /nfs/dbraw/zinc/74/40/37/974744037.db2.gz KIJFRQIBUNUFCL-CYBMUJFWSA-N 1 2 239.407 1.545 20 0 BDADLO CC(C)COCC[C@@H](C)[N@@H+]1CCC(=O)C1 ZINC001172477029 974774953 /nfs/dbraw/zinc/77/49/53/974774953.db2.gz VJBMZWWWPFNZFZ-LLVKDONJSA-N 1 2 213.321 1.712 20 0 BDADLO CC(C)COCC[C@@H](C)[N@H+]1CCC(=O)C1 ZINC001172477029 974774956 /nfs/dbraw/zinc/77/49/56/974774956.db2.gz VJBMZWWWPFNZFZ-LLVKDONJSA-N 1 2 213.321 1.712 20 0 BDADLO CC(C)OCC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172447813 974810545 /nfs/dbraw/zinc/81/05/45/974810545.db2.gz GXWXPEKXUDENQU-DCAQKATOSA-N 1 2 246.326 1.088 20 0 BDADLO CC(C)OCC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172447813 974810548 /nfs/dbraw/zinc/81/05/48/974810548.db2.gz GXWXPEKXUDENQU-DCAQKATOSA-N 1 2 246.326 1.088 20 0 BDADLO CC[N@@H+]1CCC[C@H](Oc2nc(C)cc(=O)[nH]2)C1 ZINC001226159539 974814288 /nfs/dbraw/zinc/81/42/88/974814288.db2.gz PDTSBEVGYKEKNU-JTQLQIEISA-N 1 2 237.303 1.354 20 0 BDADLO CC[N@H+]1CCC[C@H](Oc2nc(C)cc(=O)[nH]2)C1 ZINC001226159539 974814292 /nfs/dbraw/zinc/81/42/92/974814292.db2.gz PDTSBEVGYKEKNU-JTQLQIEISA-N 1 2 237.303 1.354 20 0 BDADLO OCc1cc[nH+]c(NC/C=C/C2CC2)c1 ZINC001331912310 974863507 /nfs/dbraw/zinc/86/35/07/974863507.db2.gz WCKCQQMEZCWDAA-OWOJBTEDSA-N 1 2 204.273 1.952 20 0 BDADLO CC1(C)CC([NH2+][C@H]2CCOC2=O)CC(C)(C)O1 ZINC001172640660 974893898 /nfs/dbraw/zinc/89/38/98/974893898.db2.gz OFWPOKKRCFVALA-JTQLQIEISA-N 1 2 241.331 1.628 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cnnn1C ZINC001332459254 975143743 /nfs/dbraw/zinc/14/37/43/975143743.db2.gz LNEQWYPTPNNGSC-SCZZXKLOSA-N 1 2 246.318 1.325 20 0 BDADLO C[C@H](C[NH+](C)C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976998 975198927 /nfs/dbraw/zinc/19/89/27/975198927.db2.gz JXUKLSABBHVOEX-SECBINFHSA-N 1 2 247.298 1.664 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001332540589 975203061 /nfs/dbraw/zinc/20/30/61/975203061.db2.gz ZQGUKQACENJAKV-DTORHVGOSA-N 1 2 232.274 1.100 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001332540589 975203073 /nfs/dbraw/zinc/20/30/73/975203073.db2.gz ZQGUKQACENJAKV-DTORHVGOSA-N 1 2 232.274 1.100 20 0 BDADLO CC[NH+]1CC(Oc2c(C)cccc2O)C1 ZINC001227137768 975290480 /nfs/dbraw/zinc/29/04/80/975290480.db2.gz VJUAVYWDJMYPEH-UHFFFAOYSA-N 1 2 207.273 1.784 20 0 BDADLO O=C(NC/C=C/C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001332851037 975294647 /nfs/dbraw/zinc/29/46/47/975294647.db2.gz UXFTWAJOZRKOJK-FMBMQGQPSA-N 1 2 246.314 1.073 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@H]2CO)c(C)s1 ZINC001333084293 975398770 /nfs/dbraw/zinc/39/87/70/975398770.db2.gz KANXSKNHZHJBRI-JTQLQIEISA-N 1 2 224.329 1.493 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@H]2CO)c(C)s1 ZINC001333084293 975398779 /nfs/dbraw/zinc/39/87/79/975398779.db2.gz KANXSKNHZHJBRI-JTQLQIEISA-N 1 2 224.329 1.493 20 0 BDADLO Cc1cc(=O)oc2cc(OC3C[NH+](C)C3)ccc12 ZINC001227546638 975535340 /nfs/dbraw/zinc/53/53/40/975535340.db2.gz IBVUZTCAUQVKGX-UHFFFAOYSA-N 1 2 245.278 1.794 20 0 BDADLO CN(Cc1c[nH+]cn1C)Cc1cccc(=O)[nH]1 ZINC001333384083 975733314 /nfs/dbraw/zinc/73/33/14/975733314.db2.gz QFTUPJUMNMLVRX-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cccc(Cl)n2)C1 ZINC001227928015 975796539 /nfs/dbraw/zinc/79/65/39/975796539.db2.gz QMPIONFQAVUUEH-VIFPVBQESA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cccc(Cl)n2)C1 ZINC001227928015 975796564 /nfs/dbraw/zinc/79/65/64/975796564.db2.gz QMPIONFQAVUUEH-VIFPVBQESA-N 1 2 242.706 1.444 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@@H](F)C2)nc[nH+]1 ZINC001333699813 976006859 /nfs/dbraw/zinc/00/68/59/976006859.db2.gz VQGLJIRTSFIPRE-BDAKNGLRSA-N 1 2 224.283 1.703 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@@H](F)C2)[nH+]cn1 ZINC001333699813 976006873 /nfs/dbraw/zinc/00/68/73/976006873.db2.gz VQGLJIRTSFIPRE-BDAKNGLRSA-N 1 2 224.283 1.703 20 0 BDADLO Cc1[nH]c2ccc(OC[C@@H]3COC(=O)O3)cc2[nH+]1 ZINC001228326098 976123550 /nfs/dbraw/zinc/12/35/50/976123550.db2.gz FJFRNEQJGDLMMR-SECBINFHSA-N 1 2 248.238 1.786 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334041205 976240788 /nfs/dbraw/zinc/24/07/88/976240788.db2.gz FNNXQNFZXQYRAU-MNOVXSKESA-N 1 2 248.330 1.597 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1cn[nH]c1 ZINC001174294175 976472069 /nfs/dbraw/zinc/47/20/69/976472069.db2.gz YWWGORHQOMGBCE-UHFFFAOYSA-N 1 2 213.244 1.639 20 0 BDADLO CC(C)[S@](C)(=O)=NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001334388380 976485972 /nfs/dbraw/zinc/48/59/72/976485972.db2.gz BYCXMMCVKJEOQS-FVMDXXJSSA-N 1 2 243.332 1.477 20 0 BDADLO Cn1cc(Nc2cccc3[nH+]ccn32)ccc1=O ZINC001174354011 976523432 /nfs/dbraw/zinc/52/34/32/976523432.db2.gz LYFDUGXJENMXRC-UHFFFAOYSA-N 1 2 240.266 1.777 20 0 BDADLO CC[NH+]1CC(Oc2ccnc(Cl)n2)C1 ZINC001228947800 976598476 /nfs/dbraw/zinc/59/84/76/976598476.db2.gz BRZBNAZBORHDDK-UHFFFAOYSA-N 1 2 213.668 1.213 20 0 BDADLO CCn1nncc1C[NH2+][C@H]1CCCn2ccnc21 ZINC001334932234 976795386 /nfs/dbraw/zinc/79/53/86/976795386.db2.gz ACHSYRJRKTXSBR-NSHDSACASA-N 1 2 246.318 1.119 20 0 BDADLO COCc1ccccc1OC1C[NH+](C)C1 ZINC001229253469 976808485 /nfs/dbraw/zinc/80/84/85/976808485.db2.gz ZXJUOISKCRHBGX-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO Cc1nc(NCCCC(F)F)nc(N)[nH+]1 ZINC001335094839 976849807 /nfs/dbraw/zinc/84/98/07/976849807.db2.gz UHVPXDLPKVTJBT-UHFFFAOYSA-N 1 2 217.223 1.219 20 0 BDADLO Cc1nc(N)nc(NCCCC(F)F)[nH+]1 ZINC001335094839 976849808 /nfs/dbraw/zinc/84/98/08/976849808.db2.gz UHVPXDLPKVTJBT-UHFFFAOYSA-N 1 2 217.223 1.219 20 0 BDADLO C[C@@H](C(=O)N1CCCC12CCC2)n1cc[nH+]c1 ZINC001335227813 976890797 /nfs/dbraw/zinc/89/07/97/976890797.db2.gz IPDNRRUDHFWHGO-NSHDSACASA-N 1 2 233.315 1.989 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1ccns1 ZINC000259840748 976892279 /nfs/dbraw/zinc/89/22/79/976892279.db2.gz YKLWAGJWJCTZIC-JTQLQIEISA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1ccns1 ZINC000259840748 976892281 /nfs/dbraw/zinc/89/22/81/976892281.db2.gz YKLWAGJWJCTZIC-JTQLQIEISA-N 1 2 240.328 1.323 20 0 BDADLO CCS(=O)(CC)=NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001335268257 976913400 /nfs/dbraw/zinc/91/34/00/976913400.db2.gz YQZZVJUQCNLLMX-VIFPVBQESA-N 1 2 243.332 1.479 20 0 BDADLO Cc1ccncc1C[NH2+][C@H](C)c1cc(CO)on1 ZINC001335284181 976925457 /nfs/dbraw/zinc/92/54/57/976925457.db2.gz XWEREVYFVDZBDZ-SNVBAGLBSA-N 1 2 247.298 1.721 20 0 BDADLO CNc1cc(N[C@H](C)c2cnn(C)c2C)nc[nH+]1 ZINC001335403504 977027853 /nfs/dbraw/zinc/02/78/53/977027853.db2.gz DGJGCAWSSMIFQU-MRVPVSSYSA-N 1 2 246.318 1.733 20 0 BDADLO CNc1cc(N[C@H](C)c2cnn(C)c2C)[nH+]cn1 ZINC001335403504 977027868 /nfs/dbraw/zinc/02/78/68/977027868.db2.gz DGJGCAWSSMIFQU-MRVPVSSYSA-N 1 2 246.318 1.733 20 0 BDADLO CNc1cc(N[C@@H](C)c2cnn(C)c2C)nc[nH+]1 ZINC001335403505 977029372 /nfs/dbraw/zinc/02/93/72/977029372.db2.gz DGJGCAWSSMIFQU-QMMMGPOBSA-N 1 2 246.318 1.733 20 0 BDADLO CNc1cc(N[C@@H](C)c2cnn(C)c2C)[nH+]cn1 ZINC001335403505 977029383 /nfs/dbraw/zinc/02/93/83/977029383.db2.gz DGJGCAWSSMIFQU-QMMMGPOBSA-N 1 2 246.318 1.733 20 0 BDADLO CCc1cncnc1OC1C[NH+](CC)C1 ZINC001230033097 977099215 /nfs/dbraw/zinc/09/92/15/977099215.db2.gz QQJMNRDEVDSZEF-UHFFFAOYSA-N 1 2 207.277 1.122 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc(O)c1 ZINC001174887074 977115170 /nfs/dbraw/zinc/11/51/70/977115170.db2.gz KIHOSMJPTQFZGO-UHFFFAOYSA-N 1 2 247.254 1.337 20 0 BDADLO c1nnc(C[N@@H+]2CC3CCC2CC3)s1 ZINC001335598009 977174865 /nfs/dbraw/zinc/17/48/65/977174865.db2.gz KSWFFNUVSAOSPO-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO c1nnc(C[N@H+]2CC3CCC2CC3)s1 ZINC001335598009 977174870 /nfs/dbraw/zinc/17/48/70/977174870.db2.gz KSWFFNUVSAOSPO-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cnc(C3CC3)nc2)C1 ZINC001230750559 977326660 /nfs/dbraw/zinc/32/66/60/977326660.db2.gz AKADJDCMWOKNAV-GFCCVEGCSA-N 1 2 249.314 1.063 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cnc(C3CC3)nc2)C1 ZINC001230750559 977326670 /nfs/dbraw/zinc/32/66/70/977326670.db2.gz AKADJDCMWOKNAV-GFCCVEGCSA-N 1 2 249.314 1.063 20 0 BDADLO C[NH+]1CC(Oc2ncnc3cccc(Cl)c32)C1 ZINC001230754851 977326944 /nfs/dbraw/zinc/32/69/44/977326944.db2.gz TYKQOUMGZINKFX-UHFFFAOYSA-N 1 2 249.701 1.976 20 0 BDADLO C[NH+]1CC(Oc2[nH]c(=O)nc3cc(F)ccc32)C1 ZINC001230887286 977358258 /nfs/dbraw/zinc/35/82/58/977358258.db2.gz HWMQRGBXLBOWNU-UHFFFAOYSA-N 1 2 249.245 1.167 20 0 BDADLO O=C1CC(Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230918769 977379004 /nfs/dbraw/zinc/37/90/04/977379004.db2.gz ACKBOEPZUHHTPW-UHFFFAOYSA-N 1 2 231.251 1.478 20 0 BDADLO CC[NH+]1CC(Oc2cc3n[nH]cc3c(F)c2)C1 ZINC001230930202 977388249 /nfs/dbraw/zinc/38/82/49/977388249.db2.gz MDZCFDGWASCCJX-UHFFFAOYSA-N 1 2 235.262 1.785 20 0 BDADLO CC[C@H](O)C[NH2+][C@H](C)c1noc(C(F)F)n1 ZINC001336016654 977430344 /nfs/dbraw/zinc/43/03/44/977430344.db2.gz FYNRNMPJDNPGOG-RITPCOANSA-N 1 2 235.234 1.429 20 0 BDADLO CCON(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001336042451 977453986 /nfs/dbraw/zinc/45/39/86/977453986.db2.gz ZCZJCNMGJXUNRE-UHFFFAOYSA-N 1 2 225.292 1.487 20 0 BDADLO CCn1ncc(NC(=O)[C@H]2CC[N@@H+]2CC)c1C ZINC001594195556 977545679 /nfs/dbraw/zinc/54/56/79/977545679.db2.gz NTSQLQZWZUJLEV-LLVKDONJSA-N 1 2 236.319 1.244 20 0 BDADLO CCn1ncc(NC(=O)[C@H]2CC[N@H+]2CC)c1C ZINC001594195556 977545686 /nfs/dbraw/zinc/54/56/86/977545686.db2.gz NTSQLQZWZUJLEV-LLVKDONJSA-N 1 2 236.319 1.244 20 0 BDADLO CCOc1cc(N=C2CCC[N@H+](C)C2)no1 ZINC001175577733 977587069 /nfs/dbraw/zinc/58/70/69/977587069.db2.gz WOWAGXHVIRTKSR-UHFFFAOYSA-N 1 2 223.276 1.705 20 0 BDADLO CCOc1cc(N=C2CCC[N@@H+](C)C2)no1 ZINC001175577733 977587072 /nfs/dbraw/zinc/58/70/72/977587072.db2.gz WOWAGXHVIRTKSR-UHFFFAOYSA-N 1 2 223.276 1.705 20 0 BDADLO CN1CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001231666492 977674768 /nfs/dbraw/zinc/67/47/68/977674768.db2.gz SOHWDDTVMXOXMP-UHFFFAOYSA-N 1 2 230.315 1.310 20 0 BDADLO COCc1ccc(C[N@H+](C)Cc2cncnc2)o1 ZINC001231694408 977695422 /nfs/dbraw/zinc/69/54/22/977695422.db2.gz OSAVNXYIFMAMJR-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO COCc1ccc(C[N@@H+](C)Cc2cncnc2)o1 ZINC001231694408 977695442 /nfs/dbraw/zinc/69/54/42/977695442.db2.gz OSAVNXYIFMAMJR-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO CC(C)Oc1ncccc1C[NH+]1CC(CO)C1 ZINC001231758909 977734261 /nfs/dbraw/zinc/73/42/61/977734261.db2.gz HHAUOMZEKVCKGQ-UHFFFAOYSA-N 1 2 236.315 1.293 20 0 BDADLO Cc1cc(F)cc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC001336542987 977762339 /nfs/dbraw/zinc/76/23/39/977762339.db2.gz HAVBGASODJRURO-PHIMTYICSA-N 1 2 222.263 1.897 20 0 BDADLO CCc1ccc(N2CC[C@@H](OC)C2)[nH+]c1 ZINC001336542539 977762354 /nfs/dbraw/zinc/76/23/54/977762354.db2.gz DJFJSHSRBBRLPN-LLVKDONJSA-N 1 2 206.289 1.869 20 0 BDADLO [NH3+]CC[C@@H]1CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC001594654754 977762333 /nfs/dbraw/zinc/76/23/33/977762333.db2.gz WQTMPWVLBLWLGU-JTQLQIEISA-N 1 2 249.314 1.345 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](CO)OC[C@@H]2C)[nH+]1 ZINC001336548478 977768861 /nfs/dbraw/zinc/76/88/61/977768861.db2.gz LLULWXMJGGCMGL-ONGXEEELSA-N 1 2 240.278 1.115 20 0 BDADLO CCc1coc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001336583031 977795946 /nfs/dbraw/zinc/79/59/46/977795946.db2.gz MIEVIUDWXYYXSA-QMMMGPOBSA-N 1 2 248.286 1.777 20 0 BDADLO CCc1coc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001336583031 977795954 /nfs/dbraw/zinc/79/59/54/977795954.db2.gz MIEVIUDWXYYXSA-QMMMGPOBSA-N 1 2 248.286 1.777 20 0 BDADLO CC[C@]1(CO)CCCN(c2cc(N)nc[nH+]2)C1 ZINC001336585797 977799013 /nfs/dbraw/zinc/79/90/13/977799013.db2.gz WXXXPHCZHXERFB-LBPRGKRZSA-N 1 2 236.319 1.048 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)cnc1F ZINC001231929224 977801908 /nfs/dbraw/zinc/80/19/08/977801908.db2.gz BMSIPLWDMSUSGN-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@]23CCOC3)cnc1F ZINC001231929224 977801912 /nfs/dbraw/zinc/80/19/12/977801912.db2.gz BMSIPLWDMSUSGN-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cncnc2)cnc1F ZINC001231931576 977803050 /nfs/dbraw/zinc/80/30/50/977803050.db2.gz XKORPGJMXBWCFX-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cncnc2)cnc1F ZINC001231931576 977803053 /nfs/dbraw/zinc/80/30/53/977803053.db2.gz XKORPGJMXBWCFX-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccncn2)cnc1F ZINC001231928620 977803173 /nfs/dbraw/zinc/80/31/73/977803173.db2.gz NINCZLHRDIZBHD-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccncn2)cnc1F ZINC001231928620 977803175 /nfs/dbraw/zinc/80/31/75/977803175.db2.gz NINCZLHRDIZBHD-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO CCc1coc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001336617833 977813869 /nfs/dbraw/zinc/81/38/69/977813869.db2.gz SNILGBJCYJXNFE-UHFFFAOYSA-N 1 2 220.232 1.072 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2ncccn2)c1 ZINC001231967282 977814223 /nfs/dbraw/zinc/81/42/23/977814223.db2.gz XPXXHUPUMXRBRC-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cc[nH+]c(CN2C[C@@H](F)C[C@H]2CF)c1 ZINC001231966356 977815202 /nfs/dbraw/zinc/81/52/02/977815202.db2.gz CXDNUCPOKZXYSY-ONGXEEELSA-N 1 2 242.269 1.972 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cnc1F ZINC001231991305 977827013 /nfs/dbraw/zinc/82/70/13/977827013.db2.gz YTNVTBFZFVOXCR-SNVBAGLBSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cc(Cl)cnc1F ZINC001231991305 977827019 /nfs/dbraw/zinc/82/70/19/977827019.db2.gz YTNVTBFZFVOXCR-SNVBAGLBSA-N 1 2 244.697 1.831 20 0 BDADLO Nc1cc(N2CCC[C@@H](CCO)CC2)[nH+]cn1 ZINC001336660094 977836140 /nfs/dbraw/zinc/83/61/40/977836140.db2.gz GITDEYVFGHGCSG-SNVBAGLBSA-N 1 2 236.319 1.048 20 0 BDADLO CCc1ccc(N2C[C@H](O)C[C@H]2COC)[nH+]c1 ZINC001336667080 977842417 /nfs/dbraw/zinc/84/24/17/977842417.db2.gz ZUXMZMPVGDNASI-NWDGAFQWSA-N 1 2 236.315 1.230 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(=O)[nH]n1 ZINC001232026462 977856662 /nfs/dbraw/zinc/85/66/62/977856662.db2.gz PWTAFEMLQYMTQY-LLVKDONJSA-N 1 2 237.303 1.039 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(=O)[nH]n1 ZINC001232026462 977856671 /nfs/dbraw/zinc/85/66/71/977856671.db2.gz PWTAFEMLQYMTQY-LLVKDONJSA-N 1 2 237.303 1.039 20 0 BDADLO Cc1nccnc1[C@@H](C)Nc1cc(N)nc[nH+]1 ZINC001336699556 977864169 /nfs/dbraw/zinc/86/41/69/977864169.db2.gz ULXYHPRMZOBMJY-MRVPVSSYSA-N 1 2 230.275 1.330 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001232067813 977881854 /nfs/dbraw/zinc/88/18/54/977881854.db2.gz WTSGNYKJUWCMII-SECBINFHSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001232067813 977881855 /nfs/dbraw/zinc/88/18/55/977881855.db2.gz WTSGNYKJUWCMII-SECBINFHSA-N 1 2 246.232 1.667 20 0 BDADLO Nc1ccc(-c2nccn2-c2[nH]cc[nH+]2)cc1 ZINC001176085568 977886843 /nfs/dbraw/zinc/88/68/43/977886843.db2.gz SIKYKDBGYOUSAQ-UHFFFAOYSA-N 1 2 225.255 1.845 20 0 BDADLO c1c2ccncc2[nH]c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001232098150 977893553 /nfs/dbraw/zinc/89/35/53/977893553.db2.gz JIMTZANKMBRHDR-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO c1c2ccncc2[nH]c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001232098150 977893556 /nfs/dbraw/zinc/89/35/56/977893556.db2.gz JIMTZANKMBRHDR-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO c1c2ccncc2[nH]c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001232094766 977893859 /nfs/dbraw/zinc/89/38/59/977893859.db2.gz YWCBLKCYDWQDCM-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO c1c2ccncc2[nH]c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001232094766 977893861 /nfs/dbraw/zinc/89/38/61/977893861.db2.gz YWCBLKCYDWQDCM-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO Cn1cc(C[N@@H+]2CCOCC2(C)C)c(C2CC2)n1 ZINC001232171465 977899998 /nfs/dbraw/zinc/89/99/98/977899998.db2.gz VESKOQUESLVZHO-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO Cn1cc(C[N@H+]2CCOCC2(C)C)c(C2CC2)n1 ZINC001232171465 977900000 /nfs/dbraw/zinc/90/00/00/977900000.db2.gz VESKOQUESLVZHO-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC001232195284 977913736 /nfs/dbraw/zinc/91/37/36/977913736.db2.gz OEJPMJQIFZTEDY-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC001232195284 977913744 /nfs/dbraw/zinc/91/37/44/977913744.db2.gz OEJPMJQIFZTEDY-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO Cc1c[nH+]c(NC2=CCOCC2)c(N)c1 ZINC001176139697 977917561 /nfs/dbraw/zinc/91/75/61/977917561.db2.gz GPBDLTNGHZBTKA-UHFFFAOYSA-N 1 2 205.261 1.688 20 0 BDADLO COCC[N@H+](C)Cc1ncsc1C ZINC001232204742 977931486 /nfs/dbraw/zinc/93/14/86/977931486.db2.gz XJPXHFNCTURJFF-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO COCC[N@@H+](C)Cc1ncsc1C ZINC001232204742 977931493 /nfs/dbraw/zinc/93/14/93/977931493.db2.gz XJPXHFNCTURJFF-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO Cc1cnc(C[NH2+]C[C@@H](O)c2ccccn2)o1 ZINC001336782965 977954606 /nfs/dbraw/zinc/95/46/06/977954606.db2.gz CMBISVMRLAXXBV-LLVKDONJSA-N 1 2 233.271 1.201 20 0 BDADLO CCc1ccc(N2CC[C@@]3(CCOC3=O)C2)[nH+]c1 ZINC001336819425 977983175 /nfs/dbraw/zinc/98/31/75/977983175.db2.gz YLPGMCBEFCDKAS-CQSZACIVSA-N 1 2 246.310 1.787 20 0 BDADLO COC1C[NH+](Cc2ccc(O)c3ncccc23)C1 ZINC001232275255 977990002 /nfs/dbraw/zinc/99/00/02/977990002.db2.gz JOBCLZMKLPESJB-UHFFFAOYSA-N 1 2 244.294 1.771 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+](C)C(C)C)cs1 ZINC001232283356 977991320 /nfs/dbraw/zinc/99/13/20/977991320.db2.gz BHPNHOMKRLXGJS-UHFFFAOYSA-N 1 2 227.333 1.942 20 0 BDADLO CC(=O)Nc1nc(C[N@H+](C)C(C)C)cs1 ZINC001232283356 977991323 /nfs/dbraw/zinc/99/13/23/977991323.db2.gz BHPNHOMKRLXGJS-UHFFFAOYSA-N 1 2 227.333 1.942 20 0 BDADLO CC[N@H+](Cc1ccc(OC)nc1C)C1COC1 ZINC001232335181 978008953 /nfs/dbraw/zinc/00/89/53/978008953.db2.gz SEOQGPIULTXOBG-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO CC[N@@H+](Cc1ccc(OC)nc1C)C1COC1 ZINC001232335181 978008959 /nfs/dbraw/zinc/00/89/59/978008959.db2.gz SEOQGPIULTXOBG-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CC(F)(F)C1 ZINC001232338542 978012168 /nfs/dbraw/zinc/01/21/68/978012168.db2.gz VWKOJNBOCHWUFT-UHFFFAOYSA-N 1 2 213.231 1.423 20 0 BDADLO C[C@@H](O)C(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC001336881247 978022661 /nfs/dbraw/zinc/02/26/61/978022661.db2.gz CDUZSYHTZHGCAS-MRVPVSSYSA-N 1 2 249.318 1.182 20 0 BDADLO F[C@@H]1C[N@H+](Cc2n[nH]c3c2CCC3)C[C@@H]2C[C@@H]21 ZINC001232424071 978055415 /nfs/dbraw/zinc/05/54/15/978055415.db2.gz BQERDUPTEKOLMF-INTQDDNPSA-N 1 2 235.306 1.688 20 0 BDADLO F[C@@H]1C[N@@H+](Cc2n[nH]c3c2CCC3)C[C@@H]2C[C@@H]21 ZINC001232424071 978055420 /nfs/dbraw/zinc/05/54/20/978055420.db2.gz BQERDUPTEKOLMF-INTQDDNPSA-N 1 2 235.306 1.688 20 0 BDADLO Nc1ccc[nH+]c1Nc1ccc2c(c1)CC(=O)N2 ZINC001176427154 978059370 /nfs/dbraw/zinc/05/93/70/978059370.db2.gz GTIOTEHEJIHUFY-UHFFFAOYSA-N 1 2 240.266 1.902 20 0 BDADLO C[C@@H]1C[N@H+](Cc2[nH]nc3c2CCC3)[C@H](C)CO1 ZINC001232433082 978078950 /nfs/dbraw/zinc/07/89/50/978078950.db2.gz SWTCXDUQYJGHKJ-NXEZZACHSA-N 1 2 235.331 1.508 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)[C@H](C)CO1 ZINC001232433082 978078958 /nfs/dbraw/zinc/07/89/58/978078958.db2.gz SWTCXDUQYJGHKJ-NXEZZACHSA-N 1 2 235.331 1.508 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)[C@H](C)CC2)c[nH+]1 ZINC001232460705 978079384 /nfs/dbraw/zinc/07/93/84/978079384.db2.gz UEYSCWZIDBVUOI-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)[C@H](C)CC2)[nH+]1 ZINC001232460705 978079395 /nfs/dbraw/zinc/07/93/95/978079395.db2.gz UEYSCWZIDBVUOI-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCCCO3)c[nH+]1 ZINC001232459629 978091264 /nfs/dbraw/zinc/09/12/64/978091264.db2.gz FZJFVXMBHRQQOJ-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]cc(CN2CC3(C2)CCCCO3)[nH+]1 ZINC001232459629 978091274 /nfs/dbraw/zinc/09/12/74/978091274.db2.gz FZJFVXMBHRQQOJ-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO COC(=O)[C@H](C(C)C)N(C)Cc1c[nH+]c(C)[nH]1 ZINC001232464459 978111443 /nfs/dbraw/zinc/11/14/43/978111443.db2.gz FOKKBIKTVHUFAA-NSHDSACASA-N 1 2 239.319 1.348 20 0 BDADLO COC(=O)[C@H](C(C)C)N(C)Cc1c[nH]c(C)[nH+]1 ZINC001232464459 978111457 /nfs/dbraw/zinc/11/14/57/978111457.db2.gz FOKKBIKTVHUFAA-NSHDSACASA-N 1 2 239.319 1.348 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1c[nH+]c(C)[nH]1 ZINC001232468932 978120733 /nfs/dbraw/zinc/12/07/33/978120733.db2.gz RBOKHBCBZQLIOJ-ADEWGFFLSA-N 1 2 249.314 1.244 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1c[nH]c(C)[nH+]1 ZINC001232468932 978120739 /nfs/dbraw/zinc/12/07/39/978120739.db2.gz RBOKHBCBZQLIOJ-ADEWGFFLSA-N 1 2 249.314 1.244 20 0 BDADLO C=C/C=C\CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001595835803 978146046 /nfs/dbraw/zinc/14/60/46/978146046.db2.gz YLCMRSXBFQGMBM-DOGVGXBMSA-N 1 2 219.288 1.520 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1nnnn1C ZINC001176788373 978180099 /nfs/dbraw/zinc/18/00/99/978180099.db2.gz VMIOFUWILNJICD-RKDXNWHRSA-N 1 2 249.293 1.761 20 0 BDADLO CC[C@@H](F)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001337140485 978182221 /nfs/dbraw/zinc/18/22/21/978182221.db2.gz OWVPDRAEOAJQRI-VHSXEESVSA-N 1 2 227.283 1.384 20 0 BDADLO Nc1cc(N2CC[C@]3(C2)CCCOC3)[nH+]cn1 ZINC001337155147 978189636 /nfs/dbraw/zinc/18/96/36/978189636.db2.gz BLBHUUPVUWQDCQ-LBPRGKRZSA-N 1 2 234.303 1.066 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001176829366 978192144 /nfs/dbraw/zinc/19/21/44/978192144.db2.gz PVPAAQVSVOXRHA-APPZFPTMSA-N 1 2 241.241 1.066 20 0 BDADLO CCOc1ccnc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001232585653 978192119 /nfs/dbraw/zinc/19/21/19/978192119.db2.gz FFCKSOZQVGQDKS-AWEZNQCLSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccnc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001232585653 978192124 /nfs/dbraw/zinc/19/21/24/978192124.db2.gz FFCKSOZQVGQDKS-AWEZNQCLSA-N 1 2 248.326 1.845 20 0 BDADLO c1cc2c(cn1)cncc2C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001232653358 978211830 /nfs/dbraw/zinc/21/18/30/978211830.db2.gz XRPVBYOQLUZFKH-BETUJISGSA-N 1 2 241.294 1.603 20 0 BDADLO c1cc2c(cn1)cncc2C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001232653358 978211834 /nfs/dbraw/zinc/21/18/34/978211834.db2.gz XRPVBYOQLUZFKH-BETUJISGSA-N 1 2 241.294 1.603 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC001176872789 978218916 /nfs/dbraw/zinc/21/89/16/978218916.db2.gz RXVFIHSGNJSFQK-UHFFFAOYSA-N 1 2 243.257 1.529 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccc(C=O)[nH]2)c[nH+]1 ZINC001597251157 978300163 /nfs/dbraw/zinc/30/01/63/978300163.db2.gz PMAPCJRTAHMAII-UHFFFAOYSA-N 1 2 246.270 1.043 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccc(C=O)[nH]2)[nH+]1 ZINC001597251157 978300173 /nfs/dbraw/zinc/30/01/73/978300173.db2.gz PMAPCJRTAHMAII-UHFFFAOYSA-N 1 2 246.270 1.043 20 0 BDADLO COCC[N@H+](C)Cc1ccc(F)c(O)c1F ZINC001232932295 978338659 /nfs/dbraw/zinc/33/86/59/978338659.db2.gz WYNXCWWIHKOWTF-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO COCC[N@@H+](C)Cc1ccc(F)c(O)c1F ZINC001232932295 978338669 /nfs/dbraw/zinc/33/86/69/978338669.db2.gz WYNXCWWIHKOWTF-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO Oc1cc(C[NH+]2CCC(O)CC2)cc(F)c1F ZINC001232967946 978362400 /nfs/dbraw/zinc/36/24/00/978362400.db2.gz CSSCXGLBGKTULK-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO O=C(/C=C/c1nccs1)NCCn1cc[nH+]c1 ZINC001177518410 978379677 /nfs/dbraw/zinc/37/96/77/978379677.db2.gz BTXODIUOKYNXEX-OWOJBTEDSA-N 1 2 248.311 1.169 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001232992927 978392010 /nfs/dbraw/zinc/39/20/10/978392010.db2.gz NJDKPQGRBHXXKB-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1ncc(F)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC001232992927 978392020 /nfs/dbraw/zinc/39/20/20/978392020.db2.gz NJDKPQGRBHXXKB-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCn3nncc3C2)cn1 ZINC001233010745 978409971 /nfs/dbraw/zinc/40/99/71/978409971.db2.gz ZZIKTZALRLXECL-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCn3nncc3C2)cn1 ZINC001233010745 978409976 /nfs/dbraw/zinc/40/99/76/978409976.db2.gz ZZIKTZALRLXECL-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[N@H+](Cc1cc(Cl)ncc1O)C1(C)COC1 ZINC001233034246 978417263 /nfs/dbraw/zinc/41/72/63/978417263.db2.gz ISACHHQZRABPQY-UHFFFAOYSA-N 1 2 242.706 1.661 20 0 BDADLO C[N@@H+](Cc1cc(Cl)ncc1O)C1(C)COC1 ZINC001233034246 978417273 /nfs/dbraw/zinc/41/72/73/978417273.db2.gz ISACHHQZRABPQY-UHFFFAOYSA-N 1 2 242.706 1.661 20 0 BDADLO COc1ccnc(NC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001598341039 978428665 /nfs/dbraw/zinc/42/86/65/978428665.db2.gz YXAXFOYIXCRRGG-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO F[C@@H]1C[N@H+](Cc2nc3ccccn3n2)C[C@@H]2C[C@@H]21 ZINC001233070944 978460891 /nfs/dbraw/zinc/46/08/91/978460891.db2.gz LWBOUHYLFRPJHB-GARJFASQSA-N 1 2 246.289 1.519 20 0 BDADLO F[C@@H]1C[N@@H+](Cc2nc3ccccn3n2)C[C@@H]2C[C@@H]21 ZINC001233070944 978460897 /nfs/dbraw/zinc/46/08/97/978460897.db2.gz LWBOUHYLFRPJHB-GARJFASQSA-N 1 2 246.289 1.519 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)CC12CC2)n1cc[nH+]c1 ZINC001177925521 978476168 /nfs/dbraw/zinc/47/61/68/978476168.db2.gz KYYJNBYILAXVDR-WDEREUQCSA-N 1 2 233.315 1.845 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1(CC2CC2)CC1 ZINC001178000345 978487517 /nfs/dbraw/zinc/48/75/17/978487517.db2.gz KEDDCKIEABGYPO-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CC1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001178102963 978505137 /nfs/dbraw/zinc/50/51/37/978505137.db2.gz QAGKYAKXOAJLFR-CXQJBGSLSA-N 1 2 247.342 1.702 20 0 BDADLO c1nn2ccccc2c1C[N@@H+]1CCOC2(CC2)C1 ZINC001233238452 978512578 /nfs/dbraw/zinc/51/25/78/978512578.db2.gz HOFNZODFBXCCAA-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1nn2ccccc2c1C[N@H+]1CCOC2(CC2)C1 ZINC001233238452 978512584 /nfs/dbraw/zinc/51/25/84/978512584.db2.gz HOFNZODFBXCCAA-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@H]2CCO)[nH+]1 ZINC001337844337 978522305 /nfs/dbraw/zinc/52/23/05/978522305.db2.gz QDJCIRVLSCRKIE-NSHDSACASA-N 1 2 224.279 1.880 20 0 BDADLO CCc1ccc(N2CC[C@](O)(CC)C2)[nH+]c1 ZINC001337841903 978524606 /nfs/dbraw/zinc/52/46/06/978524606.db2.gz GUJMIEIJZFXMTF-CYBMUJFWSA-N 1 2 220.316 1.995 20 0 BDADLO COC(=O)/C=C/c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001233296358 978536563 /nfs/dbraw/zinc/53/65/63/978536563.db2.gz KDUNAJANOSZEFW-VOTSOKGWSA-N 1 2 247.294 1.049 20 0 BDADLO CC(=O)OC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC001233363349 978577100 /nfs/dbraw/zinc/57/71/00/978577100.db2.gz XGPMUKSPBZKZBE-UHFFFAOYSA-N 1 2 245.282 1.082 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC(=O)[C@H](C)C2)o1 ZINC001233365016 978577668 /nfs/dbraw/zinc/57/76/68/978577668.db2.gz SJXVKVJKKFJVFK-SECBINFHSA-N 1 2 222.288 1.784 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC(=O)[C@H](C)C2)o1 ZINC001233365016 978577671 /nfs/dbraw/zinc/57/76/71/978577671.db2.gz SJXVKVJKKFJVFK-SECBINFHSA-N 1 2 222.288 1.784 20 0 BDADLO C[C@@H]1CC(=O)CCN1Cc1cccc(N)[nH+]1 ZINC001233368858 978583033 /nfs/dbraw/zinc/58/30/33/978583033.db2.gz KSVCSCZWFGSBDE-SECBINFHSA-N 1 2 219.288 1.217 20 0 BDADLO Nc1cccc(C[N@@H+]2CCc3cccnc3C2)n1 ZINC001233372328 978587878 /nfs/dbraw/zinc/58/78/78/978587878.db2.gz JCVKVUGTIDMJTG-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1cccc(C[N@H+]2CCc3cccnc3C2)n1 ZINC001233372328 978587883 /nfs/dbraw/zinc/58/78/83/978587883.db2.gz JCVKVUGTIDMJTG-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)[nH+]cn1 ZINC001338009505 978589625 /nfs/dbraw/zinc/58/96/25/978589625.db2.gz CTJGKMLYGANZJI-MXWKQRLJSA-N 1 2 248.330 1.189 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc(Cl)n2)CC[C@H]1O ZINC001233446963 978601307 /nfs/dbraw/zinc/60/13/07/978601307.db2.gz PHMPCCPWYJETBA-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO COC1CC[NH+](Cc2cncc(Cl)n2)CC1 ZINC001233445988 978604023 /nfs/dbraw/zinc/60/40/23/978604023.db2.gz CWGXWRVEBOBQAO-UHFFFAOYSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001338104622 978613272 /nfs/dbraw/zinc/61/32/72/978613272.db2.gz RUNZRCFLSDSVSP-MRVPVSSYSA-N 1 2 234.259 1.688 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@H]1F ZINC001204228135 978628835 /nfs/dbraw/zinc/62/88/35/978628835.db2.gz UBPACBCYHKVTHM-VXGBXAGGSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@H]1F ZINC001204228135 978628841 /nfs/dbraw/zinc/62/88/41/978628841.db2.gz UBPACBCYHKVTHM-VXGBXAGGSA-N 1 2 245.244 1.870 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001338241982 978640784 /nfs/dbraw/zinc/64/07/84/978640784.db2.gz JQMZUQLFOJZKQU-SNVBAGLBSA-N 1 2 222.288 1.484 20 0 BDADLO Cc1ncncc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001338383505 978669892 /nfs/dbraw/zinc/66/98/92/978669892.db2.gz NTGVBBGIWRNTCY-SECBINFHSA-N 1 2 245.286 1.571 20 0 BDADLO C[C@@H](O)CC(=O)Oc1ccc2[nH+]ccn2c1 ZINC001233747985 978685783 /nfs/dbraw/zinc/68/57/83/978685783.db2.gz DGAUMXWAKFOWBU-MRVPVSSYSA-N 1 2 220.228 1.011 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1C(=O)[O-] ZINC001600409534 978689213 /nfs/dbraw/zinc/68/92/13/978689213.db2.gz CHTNFLLDAODIPP-JTQLQIEISA-N 1 2 236.315 1.472 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1C(=O)[O-] ZINC001600409534 978689224 /nfs/dbraw/zinc/68/92/24/978689224.db2.gz CHTNFLLDAODIPP-JTQLQIEISA-N 1 2 236.315 1.472 20 0 BDADLO C[N@H+](Cc1ccoc1)C1CCS(=O)(=O)CC1 ZINC001204245918 978707606 /nfs/dbraw/zinc/70/76/06/978707606.db2.gz ZLIWJUSHJIQQCW-UHFFFAOYSA-N 1 2 243.328 1.289 20 0 BDADLO C[N@@H+](Cc1ccoc1)C1CCS(=O)(=O)CC1 ZINC001204245918 978707609 /nfs/dbraw/zinc/70/76/09/978707609.db2.gz ZLIWJUSHJIQQCW-UHFFFAOYSA-N 1 2 243.328 1.289 20 0 BDADLO Cc1ccnc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC001179478876 978709345 /nfs/dbraw/zinc/70/93/45/978709345.db2.gz HSLCTCNBDAWHAC-UHFFFAOYSA-N 1 2 242.326 1.823 20 0 BDADLO CC[C@@H](F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001338813741 978737456 /nfs/dbraw/zinc/73/74/56/978737456.db2.gz BKIJLXLDVJRXII-SNVBAGLBSA-N 1 2 214.284 1.041 20 0 BDADLO Cc1c[nH]c(CCNC(=O)/C=C/C(F)(F)F)[nH+]1 ZINC001179928911 978792492 /nfs/dbraw/zinc/79/24/92/978792492.db2.gz TXGITSZDOLZEPK-DUXPYHPUSA-N 1 2 247.220 1.495 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]1F ZINC001339100314 978793075 /nfs/dbraw/zinc/79/30/75/978793075.db2.gz MWVXAJHXHXNBRM-AGIUHOORSA-N 1 2 248.301 1.647 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]1F ZINC001339100314 978793083 /nfs/dbraw/zinc/79/30/83/978793083.db2.gz MWVXAJHXHXNBRM-AGIUHOORSA-N 1 2 248.301 1.647 20 0 BDADLO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001601202451 978795630 /nfs/dbraw/zinc/79/56/30/978795630.db2.gz XXOWIVKLWPIFAG-GHMZBOCLSA-N 1 2 238.287 1.337 20 0 BDADLO C=C(F)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001180119586 978827777 /nfs/dbraw/zinc/82/77/77/978827777.db2.gz XQCNSHMXSJCXFO-SNVBAGLBSA-N 1 2 235.262 1.260 20 0 BDADLO COC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC001339482159 978856899 /nfs/dbraw/zinc/85/68/99/978856899.db2.gz IYBSMDYZLUZADG-UHFFFAOYSA-N 1 2 232.287 1.345 20 0 BDADLO CCn1cnc(Cl)c1C[N@@H+]1CCC[C@H](O)C1 ZINC001180430678 978877276 /nfs/dbraw/zinc/87/72/76/978877276.db2.gz RQIJLDIZLQAXQW-VIFPVBQESA-N 1 2 243.738 1.513 20 0 BDADLO CCn1cnc(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC001180430678 978877279 /nfs/dbraw/zinc/87/72/79/978877279.db2.gz RQIJLDIZLQAXQW-VIFPVBQESA-N 1 2 243.738 1.513 20 0 BDADLO CCc1ccc(N2CC[C@@]3(CNC(=O)C3)C2)[nH+]c1 ZINC001339692706 978894440 /nfs/dbraw/zinc/89/44/40/978894440.db2.gz VXGOZEHMBJRUDG-CQSZACIVSA-N 1 2 245.326 1.360 20 0 BDADLO CCc1ccc(N2CCn3cncc3C2)[nH+]c1 ZINC001339729213 978900135 /nfs/dbraw/zinc/90/01/35/978900135.db2.gz HISJLSUXBKZVKV-UHFFFAOYSA-N 1 2 228.299 1.861 20 0 BDADLO COC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccco1 ZINC001339843240 978921718 /nfs/dbraw/zinc/92/17/18/978921718.db2.gz SNDBLZFCKFMZSW-LLVKDONJSA-N 1 2 235.287 1.788 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001180692555 978930963 /nfs/dbraw/zinc/93/09/63/978930963.db2.gz ISWPQKRIIGBVIS-UWVGGRQHSA-N 1 2 246.301 1.727 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001180692555 978930968 /nfs/dbraw/zinc/93/09/68/978930968.db2.gz ISWPQKRIIGBVIS-UWVGGRQHSA-N 1 2 246.301 1.727 20 0 BDADLO CCn1ccc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC001180821320 978949783 /nfs/dbraw/zinc/94/97/83/978949783.db2.gz YJOLCRZFQSSTBD-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CCn1ccc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC001180821320 978949786 /nfs/dbraw/zinc/94/97/86/978949786.db2.gz YJOLCRZFQSSTBD-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ncc(F)cn1 ZINC001235008057 978950126 /nfs/dbraw/zinc/95/01/26/978950126.db2.gz VCGRQOMMPSYAPS-ZJUUUORDSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ncc(F)cn1 ZINC001235008057 978950128 /nfs/dbraw/zinc/95/01/28/978950128.db2.gz VCGRQOMMPSYAPS-ZJUUUORDSA-N 1 2 239.294 1.209 20 0 BDADLO C[N@H+](CCc1cccnc1)Cc1ncc(F)cn1 ZINC001235010269 978952083 /nfs/dbraw/zinc/95/20/83/978952083.db2.gz FIFIZHFTABSBRE-UHFFFAOYSA-N 1 2 246.289 1.685 20 0 BDADLO C[N@@H+](CCc1cccnc1)Cc1ncc(F)cn1 ZINC001235010269 978952091 /nfs/dbraw/zinc/95/20/91/978952091.db2.gz FIFIZHFTABSBRE-UHFFFAOYSA-N 1 2 246.289 1.685 20 0 BDADLO OCC[C@H]1CCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235012153 978953019 /nfs/dbraw/zinc/95/30/19/978953019.db2.gz YGTKQCKAIWPGBG-SNVBAGLBSA-N 1 2 239.294 1.210 20 0 BDADLO OCC[C@H]1CCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235012153 978953022 /nfs/dbraw/zinc/95/30/22/978953022.db2.gz YGTKQCKAIWPGBG-SNVBAGLBSA-N 1 2 239.294 1.210 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001235012162 978953552 /nfs/dbraw/zinc/95/35/52/978953552.db2.gz YSUIRQOQWGCCBB-LLVKDONJSA-N 1 2 239.294 1.617 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001235012162 978953556 /nfs/dbraw/zinc/95/35/56/978953556.db2.gz YSUIRQOQWGCCBB-LLVKDONJSA-N 1 2 239.294 1.617 20 0 BDADLO C[C@H](C(=O)N1CC[C@@]2(CCOC2)C1)n1cc[nH+]c1 ZINC001340235298 978993815 /nfs/dbraw/zinc/99/38/15/978993815.db2.gz BGTUKASGAORNJR-DGCLKSJQSA-N 1 2 249.314 1.083 20 0 BDADLO CCc1cccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC001235252537 979005791 /nfs/dbraw/zinc/00/57/91/979005791.db2.gz CLRUMFLRSIYLOH-CYBMUJFWSA-N 1 2 247.342 1.484 20 0 BDADLO CCc1cccc(C[N@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC001235252537 979005794 /nfs/dbraw/zinc/00/57/94/979005794.db2.gz CLRUMFLRSIYLOH-CYBMUJFWSA-N 1 2 247.342 1.484 20 0 BDADLO CCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)n1 ZINC001235253726 979007514 /nfs/dbraw/zinc/00/75/14/979007514.db2.gz KDKABCJMMAJRJR-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCc1cccc(C[N@H+]2CCO[C@@H](C)C2)n1 ZINC001235253726 979007522 /nfs/dbraw/zinc/00/75/22/979007522.db2.gz KDKABCJMMAJRJR-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC001235252988 979007691 /nfs/dbraw/zinc/00/76/91/979007691.db2.gz HEWZAZXNHHFVMW-GWCFXTLKSA-N 1 2 238.306 1.549 20 0 BDADLO CCc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)n1 ZINC001235252988 979007695 /nfs/dbraw/zinc/00/76/95/979007695.db2.gz HEWZAZXNHHFVMW-GWCFXTLKSA-N 1 2 238.306 1.549 20 0 BDADLO CC(=O)C[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001181248370 979019046 /nfs/dbraw/zinc/01/90/46/979019046.db2.gz YGSHYMSRJMAAII-SECBINFHSA-N 1 2 245.282 1.888 20 0 BDADLO COc1cc(C[NH+]2CCC(O)CC2)c(F)cn1 ZINC001235322016 979022394 /nfs/dbraw/zinc/02/23/94/979022394.db2.gz YOZBEUKINFARMW-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO Nc1cc(CC(=O)Nc2ccccc2)cc[nH+]1 ZINC001181229133 979025599 /nfs/dbraw/zinc/02/55/99/979025599.db2.gz HJVXURSGIWCORS-UHFFFAOYSA-N 1 2 227.267 1.845 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1C ZINC001181275850 979029140 /nfs/dbraw/zinc/02/91/40/979029140.db2.gz GLZOQZZLECADTN-MNOVXSKESA-N 1 2 223.320 1.229 20 0 BDADLO COCC[N@H+](Cc1ncc(Cl)cn1)C(C)C ZINC001235413027 979040389 /nfs/dbraw/zinc/04/03/89/979040389.db2.gz ZQRPTMXYTHHOPS-UHFFFAOYSA-N 1 2 243.738 1.987 20 0 BDADLO COCC[N@@H+](Cc1ncc(Cl)cn1)C(C)C ZINC001235413027 979040393 /nfs/dbraw/zinc/04/03/93/979040393.db2.gz ZQRPTMXYTHHOPS-UHFFFAOYSA-N 1 2 243.738 1.987 20 0 BDADLO CN(C(=O)C[C@@H]([NH3+])C(F)F)C(C1CC1)C1CC1 ZINC001340648973 979053203 /nfs/dbraw/zinc/05/32/03/979053203.db2.gz JMAFQAKYOQQCEY-SECBINFHSA-N 1 2 246.301 1.616 20 0 BDADLO Cc1[nH+]cn(C)c1CN1Cc2cccnc2C1 ZINC001235540395 979086986 /nfs/dbraw/zinc/08/69/86/979086986.db2.gz LSTFAHFBPPJLAN-UHFFFAOYSA-N 1 2 228.299 1.639 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCOCC12CCC2 ZINC001235553581 979091453 /nfs/dbraw/zinc/09/14/53/979091453.db2.gz RRAPKWSTUXYCQB-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCOCC12CCC2 ZINC001235553581 979091464 /nfs/dbraw/zinc/09/14/64/979091464.db2.gz RRAPKWSTUXYCQB-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCOC2(CC2)C1 ZINC001235557904 979096851 /nfs/dbraw/zinc/09/68/51/979096851.db2.gz YAKABRRHRASDBW-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCOC2(CC2)C1 ZINC001235557904 979096861 /nfs/dbraw/zinc/09/68/61/979096861.db2.gz YAKABRRHRASDBW-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1F)C(F)F ZINC001340764307 979097796 /nfs/dbraw/zinc/09/77/96/979097796.db2.gz PJEILBWDWBKKSB-BIIVOSGPSA-N 1 2 238.253 1.366 20 0 BDADLO O=C([O-])c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC001602348573 979108668 /nfs/dbraw/zinc/10/86/68/979108668.db2.gz KBAXGVGLRNVIRP-CYBMUJFWSA-N 1 2 248.326 1.617 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCn2nccc2C1 ZINC001235821549 979160730 /nfs/dbraw/zinc/16/07/30/979160730.db2.gz ZAAJJSOVRBQNMW-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCn2nccc2C1 ZINC001235821549 979160737 /nfs/dbraw/zinc/16/07/37/979160737.db2.gz ZAAJJSOVRBQNMW-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1[nH]c(CN2CCOCC3(CC3)C2)c(C)[nH+]1 ZINC001341008408 979193393 /nfs/dbraw/zinc/19/33/93/979193393.db2.gz PWKPZFMNQSSZCC-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2CC23CCCCC3)C1 ZINC001181908595 979365202 /nfs/dbraw/zinc/36/52/02/979365202.db2.gz NIFIAAMACYVWDL-NSHDSACASA-N 1 2 222.332 1.387 20 0 BDADLO Nc1ccc(-c2ccc3ncoc(=O)c3c2)c[nH+]1 ZINC001236312944 979517269 /nfs/dbraw/zinc/51/72/69/979517269.db2.gz BXKSRFJYHNPPPJ-UHFFFAOYSA-N 1 2 239.234 1.832 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nncn1C ZINC001341675413 979520919 /nfs/dbraw/zinc/52/09/19/979520919.db2.gz MWQDBSNZTQEHBS-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Nc1ccc(-c2cccc3c2CC(=O)NC3)c[nH+]1 ZINC001236314812 979524393 /nfs/dbraw/zinc/52/43/93/979524393.db2.gz ARBCXSHZCLBWOK-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO CC(=O)Nc1cc(-c2ccc(N)[nH+]c2)ccn1 ZINC001236315531 979530095 /nfs/dbraw/zinc/53/00/95/979530095.db2.gz KPRLNYHYULMPOQ-UHFFFAOYSA-N 1 2 228.255 1.684 20 0 BDADLO CC(C)SCC[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC001182675989 979593858 /nfs/dbraw/zinc/59/38/58/979593858.db2.gz ZYNARDAOYMFVDF-QMMMGPOBSA-N 1 2 244.364 1.313 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001604246453 979607419 /nfs/dbraw/zinc/60/74/19/979607419.db2.gz CCOZLYDSWNPZEH-OUAUKWLOSA-N 1 2 237.303 1.115 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C(=O)C1CC1 ZINC001182662309 979609981 /nfs/dbraw/zinc/60/99/81/979609981.db2.gz HXGDGFJQNUOOSZ-UHFFFAOYSA-N 1 2 229.239 1.252 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001604332831 979619608 /nfs/dbraw/zinc/61/96/08/979619608.db2.gz MHADARXQZVASQX-AEJSXWLSSA-N 1 2 228.336 1.025 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nccnc1Cl ZINC001236614296 979681262 /nfs/dbraw/zinc/68/12/62/979681262.db2.gz WAQSCHILCOLDPI-HTQZYQBOSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nccnc1Cl ZINC001236614296 979681268 /nfs/dbraw/zinc/68/12/68/979681268.db2.gz WAQSCHILCOLDPI-HTQZYQBOSA-N 1 2 227.695 1.085 20 0 BDADLO O=C(CC(F)F)NCCOc1cc[nH+]cc1 ZINC001182968545 979689928 /nfs/dbraw/zinc/68/99/28/979689928.db2.gz JWFLDAPHYGDYQC-UHFFFAOYSA-N 1 2 230.214 1.232 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1)Cc1cnccn1 ZINC001236706481 979703108 /nfs/dbraw/zinc/70/31/08/979703108.db2.gz XZVRRIYUKHHEAA-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1)Cc1cnccn1 ZINC001236706481 979703118 /nfs/dbraw/zinc/70/31/18/979703118.db2.gz XZVRRIYUKHHEAA-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1)Cc1ccncn1 ZINC001236714309 979704566 /nfs/dbraw/zinc/70/45/66/979704566.db2.gz RQCQIXSEDRXSLF-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1)Cc1ccncn1 ZINC001236714309 979704571 /nfs/dbraw/zinc/70/45/71/979704571.db2.gz RQCQIXSEDRXSLF-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO CN(C)c1ccc(C[C@H]2CCCO2)c[nH+]1 ZINC001250102714 979730330 /nfs/dbraw/zinc/73/03/30/979730330.db2.gz JUILENURXIAXEY-LLVKDONJSA-N 1 2 206.289 1.869 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CCCn1cc[nH+]c1 ZINC001605011344 979797310 /nfs/dbraw/zinc/79/73/10/979797310.db2.gz IWXHAOJUFKJWTB-GHMZBOCLSA-N 1 2 237.303 1.211 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCn1cc[nH+]c1 ZINC001605011344 979797320 /nfs/dbraw/zinc/79/73/20/979797320.db2.gz IWXHAOJUFKJWTB-GHMZBOCLSA-N 1 2 237.303 1.211 20 0 BDADLO COc1ccc2c(c1)n[nH]c2C[NH+]1CC=CC1 ZINC001237384888 979882343 /nfs/dbraw/zinc/88/23/43/979882343.db2.gz FTQUNPCFGSJRLS-UHFFFAOYSA-N 1 2 229.283 1.943 20 0 BDADLO COc1c(C)cccc1C[NH+]1CC(C)(O)C1 ZINC001237499820 979915220 /nfs/dbraw/zinc/91/52/20/979915220.db2.gz FXZUVGOHHNBKCS-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO Cn1cc(CCC[NH2+]C2(c3ncon3)CC2)cn1 ZINC001183992714 979926313 /nfs/dbraw/zinc/92/63/13/979926313.db2.gz UNVAOJHYJTWYNU-UHFFFAOYSA-N 1 2 247.302 1.015 20 0 BDADLO CC1(C)C[N@H+](Cc2ccn3nccc3c2)CCO1 ZINC001237547988 979937213 /nfs/dbraw/zinc/93/72/13/979937213.db2.gz FCNJUGXWFILJNC-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccn3nccc3c2)CCO1 ZINC001237547988 979937217 /nfs/dbraw/zinc/93/72/17/979937217.db2.gz FCNJUGXWFILJNC-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)[C@H](C)CC1 ZINC001237587477 979944214 /nfs/dbraw/zinc/94/42/14/979944214.db2.gz FEUJPSQADATPSA-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cncc1C[N@@H+]1CCc2ncn(C)c2C1 ZINC001237592023 979948831 /nfs/dbraw/zinc/94/88/31/979948831.db2.gz CWABKPQSYCQTIV-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1cncc1C[N@H+]1CCc2ncn(C)c2C1 ZINC001237592023 979948833 /nfs/dbraw/zinc/94/88/33/979948833.db2.gz CWABKPQSYCQTIV-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1c[nH+]cc1CN1Cc2ccncc2C1 ZINC001237591803 979950344 /nfs/dbraw/zinc/95/03/44/979950344.db2.gz YZAJTQNCXXFVRH-UHFFFAOYSA-N 1 2 228.299 1.814 20 0 BDADLO CCn1cncc1C[N@@H+]1CCn2nccc2C1 ZINC001237592931 979950749 /nfs/dbraw/zinc/95/07/49/979950749.db2.gz HOYPHLWJLMZVKC-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1cncc1C[N@H+]1CCn2nccc2C1 ZINC001237592931 979950756 /nfs/dbraw/zinc/95/07/56/979950756.db2.gz HOYPHLWJLMZVKC-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CC(C)[N@H+](CCCCCO)Cc1nnc[nH]1 ZINC001237612152 979971476 /nfs/dbraw/zinc/97/14/76/979971476.db2.gz SMCCJKWQYJYPIE-UHFFFAOYSA-N 1 2 226.324 1.178 20 0 BDADLO CC(C)[N@@H+](CCCCCO)Cc1nnc[nH]1 ZINC001237612152 979971483 /nfs/dbraw/zinc/97/14/83/979971483.db2.gz SMCCJKWQYJYPIE-UHFFFAOYSA-N 1 2 226.324 1.178 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001237637122 979988956 /nfs/dbraw/zinc/98/89/56/979988956.db2.gz DUDDXIYKYHNMPV-NWDGAFQWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001237637122 979988962 /nfs/dbraw/zinc/98/89/62/979988962.db2.gz DUDDXIYKYHNMPV-NWDGAFQWSA-N 1 2 236.315 1.984 20 0 BDADLO C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001606295513 979993531 /nfs/dbraw/zinc/99/35/31/979993531.db2.gz SHDQJFROSBURAS-LBPRGKRZSA-N 1 2 248.326 1.569 20 0 BDADLO C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC001606295513 979993536 /nfs/dbraw/zinc/99/35/36/979993536.db2.gz SHDQJFROSBURAS-LBPRGKRZSA-N 1 2 248.326 1.569 20 0 BDADLO Cc1ccc(OCC[NH+]2CC3(CCN3C)C2)cc1 ZINC001278126361 979994625 /nfs/dbraw/zinc/99/46/25/979994625.db2.gz HYIQVLQBLYVSPN-UHFFFAOYSA-N 1 2 246.354 1.764 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1nc(C)co1 ZINC001237650089 980006197 /nfs/dbraw/zinc/00/61/97/980006197.db2.gz RROZAGPWTJLZRV-UHFFFAOYSA-N 1 2 234.303 1.702 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1nc(C)co1 ZINC001237650089 980006207 /nfs/dbraw/zinc/00/62/07/980006207.db2.gz RROZAGPWTJLZRV-UHFFFAOYSA-N 1 2 234.303 1.702 20 0 BDADLO CCc1[nH]ncc1C[N@H+](C)[C@H]1CCCOC1 ZINC001237653120 980012303 /nfs/dbraw/zinc/01/23/03/980012303.db2.gz CQQGGQQGBWBTRI-NSHDSACASA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](C)[C@H]1CCCOC1 ZINC001237653120 980012316 /nfs/dbraw/zinc/01/23/16/980012316.db2.gz CQQGGQQGBWBTRI-NSHDSACASA-N 1 2 223.320 1.583 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001237651907 980014625 /nfs/dbraw/zinc/01/46/25/980014625.db2.gz NAKANLNFVQHQFX-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001237651907 980014635 /nfs/dbraw/zinc/01/46/35/980014635.db2.gz NAKANLNFVQHQFX-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO CCc1n[nH]cc1C[N@H+](C)Cc1cnn(C)c1 ZINC001237652289 980017085 /nfs/dbraw/zinc/01/70/85/980017085.db2.gz QTLSWUZADUPZRT-UHFFFAOYSA-N 1 2 233.319 1.338 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC001237652289 980017090 /nfs/dbraw/zinc/01/70/90/980017090.db2.gz QTLSWUZADUPZRT-UHFFFAOYSA-N 1 2 233.319 1.338 20 0 BDADLO CC(=O)[C@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC001184332868 980032339 /nfs/dbraw/zinc/03/23/39/980032339.db2.gz ZBKLEAGNWYQGMU-SECBINFHSA-N 1 2 245.282 1.888 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)no1 ZINC001343171054 980032766 /nfs/dbraw/zinc/03/27/66/980032766.db2.gz SEFXKFYDFSSOQZ-WCBMZHEXSA-N 1 2 237.303 1.740 20 0 BDADLO Cc1nc(C[NH+]2CC3(CC(O)C3)C2)ccc1F ZINC001237813480 980060516 /nfs/dbraw/zinc/06/05/16/980060516.db2.gz LGWXWMKEVLDNNW-UHFFFAOYSA-N 1 2 236.290 1.486 20 0 BDADLO O=c1cc[nH]cc1C[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001237837174 980084109 /nfs/dbraw/zinc/08/41/09/980084109.db2.gz KHCZVGDGMIIBEJ-TXEJJXNPSA-N 1 2 246.310 1.461 20 0 BDADLO O=c1cc[nH]cc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001237837174 980084122 /nfs/dbraw/zinc/08/41/22/980084122.db2.gz KHCZVGDGMIIBEJ-TXEJJXNPSA-N 1 2 246.310 1.461 20 0 BDADLO CCN(C(=O)[C@@H]1CCC[C@H](C)C1)C1C[NH+](C)C1 ZINC001184506971 980098278 /nfs/dbraw/zinc/09/82/78/980098278.db2.gz CPAGANJAXYDJNU-NWDGAFQWSA-N 1 2 238.375 1.975 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc(C(C)(C)C)ccn2)C1 ZINC001184566639 980105470 /nfs/dbraw/zinc/10/54/70/980105470.db2.gz RMOSYSRCVNTSQD-UHFFFAOYSA-N 1 2 247.342 1.423 20 0 BDADLO CCN(C(=O)c1nc(C)ccc1C)C1C[NH+](C)C1 ZINC001184597228 980110684 /nfs/dbraw/zinc/11/06/84/980110684.db2.gz IAIQSUFPCHATIF-UHFFFAOYSA-N 1 2 247.342 1.475 20 0 BDADLO COc1ncc(C2CC2)cc1C[NH+]1CC(CO)C1 ZINC001238025400 980127962 /nfs/dbraw/zinc/12/79/62/980127962.db2.gz FUVNHTSCDWVZRP-UHFFFAOYSA-N 1 2 248.326 1.392 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1CCC12COC2 ZINC001238093621 980140404 /nfs/dbraw/zinc/14/04/04/980140404.db2.gz HFGLUPFSSBOOGE-UHFFFAOYSA-N 1 2 219.284 1.675 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1CCC12COC2 ZINC001238093621 980140410 /nfs/dbraw/zinc/14/04/10/980140410.db2.gz HFGLUPFSSBOOGE-UHFFFAOYSA-N 1 2 219.284 1.675 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NN1C[C@@H]2CCC[C@@H]2C1 ZINC001608161257 980168149 /nfs/dbraw/zinc/16/81/49/980168149.db2.gz BDXRBCFDFBZEFP-PHIMTYICSA-N 1 2 248.330 1.105 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NN1C[C@@H]2CCC[C@@H]2C1 ZINC001608161257 980168152 /nfs/dbraw/zinc/16/81/52/980168152.db2.gz BDXRBCFDFBZEFP-PHIMTYICSA-N 1 2 248.330 1.105 20 0 BDADLO Nc1ccnc(F)c1CN1CCn2c[nH+]cc2C1 ZINC001238160205 980188260 /nfs/dbraw/zinc/18/82/60/980188260.db2.gz PNPIPGCHXFLACT-UHFFFAOYSA-N 1 2 247.277 1.015 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2c(N)ccnc2F)C1 ZINC001238165065 980194987 /nfs/dbraw/zinc/19/49/87/980194987.db2.gz KHYCIGHGMFCFEQ-SECBINFHSA-N 1 2 237.278 1.214 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2c(N)ccnc2F)C1 ZINC001238165065 980194989 /nfs/dbraw/zinc/19/49/89/980194989.db2.gz KHYCIGHGMFCFEQ-SECBINFHSA-N 1 2 237.278 1.214 20 0 BDADLO Cc1ncncc1C[N@H+]1CCOC[C@H]1C(C)C ZINC001238172037 980207203 /nfs/dbraw/zinc/20/72/03/980207203.db2.gz CSSRRDRRDKUTKG-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCOC[C@H]1C(C)C ZINC001238172037 980207213 /nfs/dbraw/zinc/20/72/13/980207213.db2.gz CSSRRDRRDKUTKG-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001238180374 980214428 /nfs/dbraw/zinc/21/44/28/980214428.db2.gz ZHAPXBKNTXIYHS-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ncncc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001238180374 980214437 /nfs/dbraw/zinc/21/44/37/980214437.db2.gz ZHAPXBKNTXIYHS-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO COCC1C[NH+](Cc2cnc(F)c(OC)c2)C1 ZINC001238448500 980267599 /nfs/dbraw/zinc/26/75/99/980267599.db2.gz UFRTULYZHIZNNS-UHFFFAOYSA-N 1 2 240.278 1.308 20 0 BDADLO COc1cc(C[NH+]2CC(C)C2)cnc1F ZINC001238453283 980269838 /nfs/dbraw/zinc/26/98/38/980269838.db2.gz XLZPTRGFXWHCTP-UHFFFAOYSA-N 1 2 210.252 1.681 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344109646 980349845 /nfs/dbraw/zinc/34/98/45/980349845.db2.gz VSEGNENFBGYGIP-UWVGGRQHSA-N 1 2 222.288 1.817 20 0 BDADLO CCc1cc(N2CC[C@H](O)[C@@H]2C)nc(C)[nH+]1 ZINC001186451339 980374287 /nfs/dbraw/zinc/37/42/87/980374287.db2.gz IDOHODIGPNRKON-KWQFWETISA-N 1 2 221.304 1.307 20 0 BDADLO COC(=O)NC1C[NH+](Cc2ccccc2C)C1 ZINC001344567930 980432776 /nfs/dbraw/zinc/43/27/76/980432776.db2.gz LXEIWRJMPSEBQE-UHFFFAOYSA-N 1 2 234.299 1.535 20 0 BDADLO Cc1[nH]c(CNc2nncs2)[nH+]c1C ZINC000825106325 980485368 /nfs/dbraw/zinc/48/53/68/980485368.db2.gz ORKNWNOFOLYHOJ-UHFFFAOYSA-N 1 2 209.278 1.490 20 0 BDADLO CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C(=O)[O-])cc1 ZINC001595317409 980492166 /nfs/dbraw/zinc/49/21/66/980492166.db2.gz RPDJUQGDXNNPRT-STQMWFEESA-N 1 2 248.326 1.787 20 0 BDADLO O=C([C@@H]1CCC=N1)N1CCC(n2cc[nH+]c2)CC1 ZINC001187365820 980505863 /nfs/dbraw/zinc/50/58/63/980505863.db2.gz SJUFGOOJVAQRRT-LBPRGKRZSA-N 1 2 246.314 1.280 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1ncc[nH]1 ZINC001187727594 980542660 /nfs/dbraw/zinc/54/26/60/980542660.db2.gz NJSLPSZNBXEPNF-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CCc1[nH]c(CNc2ncncc2C)c[nH+]1 ZINC001187739874 980545502 /nfs/dbraw/zinc/54/55/02/980545502.db2.gz MKFFQIZMZLTPKR-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO CCc1[nH]cc(CNc2ncncc2C)[nH+]1 ZINC001187739874 980545507 /nfs/dbraw/zinc/54/55/07/980545507.db2.gz MKFFQIZMZLTPKR-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO C[NH+](C)C1(C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001188391513 980641545 /nfs/dbraw/zinc/64/15/45/980641545.db2.gz CNAYQEZLXZWUJK-UHFFFAOYSA-N 1 2 248.330 1.063 20 0 BDADLO COc1cc(CC[NH+]2CCOCC2)cc(C)n1 ZINC001250277294 980650499 /nfs/dbraw/zinc/65/04/99/980650499.db2.gz BUESPVRESQTNFR-UHFFFAOYSA-N 1 2 236.315 1.273 20 0 BDADLO COc1cccc(C)c1C(=O)NC1C[NH+](C)C1 ZINC001188813350 980711066 /nfs/dbraw/zinc/71/10/66/980711066.db2.gz XIFNONLCLMCTJQ-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO CCOc1ccc(CCn2cc[nH+]c2)cn1 ZINC001250316289 980748277 /nfs/dbraw/zinc/74/82/77/980748277.db2.gz GWLWBJUFPUKFLQ-UHFFFAOYSA-N 1 2 217.272 1.920 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)c(OC)cn1 ZINC001250318899 980756405 /nfs/dbraw/zinc/75/64/05/980756405.db2.gz LIFQEPXKGAGIJD-UHFFFAOYSA-N 1 2 233.271 1.538 20 0 BDADLO Cc1cc(CCn2cc[nH+]c2)cnc1F ZINC001250318892 980759716 /nfs/dbraw/zinc/75/97/16/980759716.db2.gz LAUQTDMDCKRNFP-UHFFFAOYSA-N 1 2 205.236 1.968 20 0 BDADLO c1cn(CCc2cnc3c(c2)NCCO3)c[nH+]1 ZINC001250321150 980761588 /nfs/dbraw/zinc/76/15/88/980761588.db2.gz XBCJHKQPEFUIPF-UHFFFAOYSA-N 1 2 230.271 1.325 20 0 BDADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nncn2C)cnn1C ZINC001346217242 980788710 /nfs/dbraw/zinc/78/87/10/980788710.db2.gz KPNFCOMHRDDJBC-RKDXNWHRSA-N 1 2 248.334 1.269 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(c1)OCCN2C ZINC001239608725 980803471 /nfs/dbraw/zinc/80/34/71/980803471.db2.gz ZWTYQHKNOSUTQW-UHFFFAOYSA-N 1 2 230.271 1.311 20 0 BDADLO CCCCNC(=O)NCc1c[nH+]cn1CCF ZINC001190647483 980903684 /nfs/dbraw/zinc/90/36/84/980903684.db2.gz UQAQSYAOBSWQFO-UHFFFAOYSA-N 1 2 242.298 1.452 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001347018629 980951564 /nfs/dbraw/zinc/95/15/64/980951564.db2.gz NCZRLIACFWYVLJ-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001347099019 980969417 /nfs/dbraw/zinc/96/94/17/980969417.db2.gz VGRIIRHPLSZNPD-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO CN(Cc1ccncc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001347310071 981040539 /nfs/dbraw/zinc/04/05/39/981040539.db2.gz CLCZDROQBLAZQP-UHFFFAOYSA-N 1 2 230.271 1.006 20 0 BDADLO Cc1ccc2[nH+]cc(CNC(=O)NC3CC3)n2c1 ZINC001191488021 981044699 /nfs/dbraw/zinc/04/46/99/981044699.db2.gz MCHSVLDAGHYTNK-UHFFFAOYSA-N 1 2 244.298 1.604 20 0 BDADLO O=C(NCc1ccc2[nH+]ccn2c1)NC1CC1 ZINC001191510709 981054472 /nfs/dbraw/zinc/05/44/72/981054472.db2.gz PLXFLMCDWZSKJX-UHFFFAOYSA-N 1 2 230.271 1.296 20 0 BDADLO Cc1csc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC001347398822 981070080 /nfs/dbraw/zinc/07/00/80/981070080.db2.gz PQOJHLJJEYUVKC-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO CNC(=O)c1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001240016047 981100453 /nfs/dbraw/zinc/10/04/53/981100453.db2.gz DDADWOSZCVFKHI-UHFFFAOYSA-N 1 2 241.294 1.999 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001347735384 981157234 /nfs/dbraw/zinc/15/72/34/981157234.db2.gz IZJIQVCWMQXBOW-UTUOFQBUSA-N 1 2 247.342 1.515 20 0 BDADLO CN(C)c1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240214998 981163899 /nfs/dbraw/zinc/16/38/99/981163899.db2.gz NTXMFPHMUWBMDS-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO COc1cncnc1-c1ccc2[nH+]ccn2c1 ZINC001240215300 981164495 /nfs/dbraw/zinc/16/44/95/981164495.db2.gz XDAMXAWQWSPCJC-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CC2=NOCC2)CCO1 ZINC001192548222 981168407 /nfs/dbraw/zinc/16/84/07/981168407.db2.gz ZUOMNQLNBLEUOV-NSHDSACASA-N 1 2 212.293 1.120 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CC2=NOCC2)CCO1 ZINC001192548222 981168410 /nfs/dbraw/zinc/16/84/10/981168410.db2.gz ZUOMNQLNBLEUOV-NSHDSACASA-N 1 2 212.293 1.120 20 0 BDADLO c1cn2cc(-c3cncn4cnnc34)ccc2[nH+]1 ZINC001240222134 981176585 /nfs/dbraw/zinc/17/65/85/981176585.db2.gz ZPUAGUIIQRPYRH-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO c1cn(-c2cc[nH+]c(-c3cn[nH]c3)c2)cn1 ZINC001240240054 981210114 /nfs/dbraw/zinc/21/01/14/981210114.db2.gz IEZLTVGXDHEFCB-UHFFFAOYSA-N 1 2 211.228 1.657 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CCCOC1 ZINC001347973225 981231934 /nfs/dbraw/zinc/23/19/34/981231934.db2.gz SVFIHEZIBTWNOO-JTQLQIEISA-N 1 2 238.287 1.373 20 0 BDADLO Cc1noc(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC001348052714 981264195 /nfs/dbraw/zinc/26/41/95/981264195.db2.gz SHPDDTUCMLJPLV-SNVBAGLBSA-N 1 2 245.286 1.464 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1CC12CCCC2 ZINC001348227596 981313144 /nfs/dbraw/zinc/31/31/44/981313144.db2.gz CPHKIQDYTYLFCM-LLVKDONJSA-N 1 2 247.342 1.659 20 0 BDADLO Cc1cc(-c2ccc3ncnn3c2)c[nH+]c1N ZINC001240357986 981316390 /nfs/dbraw/zinc/31/63/90/981316390.db2.gz RKVOKAHTLNPWRN-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C(F)=C1CCC1 ZINC001348254260 981318807 /nfs/dbraw/zinc/31/88/07/981318807.db2.gz GVYVWQYHKXFPFF-UHFFFAOYSA-N 1 2 237.278 1.486 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cncnc2)cc1 ZINC001240376970 981329607 /nfs/dbraw/zinc/32/96/07/981329607.db2.gz OGNGQWKKUJQBLW-LBPRGKRZSA-N 1 2 243.266 1.316 20 0 BDADLO Cc1[nH+]cn(C)c1NS(=O)(=O)CC1CCC1 ZINC001193480150 981348465 /nfs/dbraw/zinc/34/84/65/981348465.db2.gz WLHQEJUWGPDMHR-UHFFFAOYSA-N 1 2 243.332 1.270 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CS[C@H](C)C1)n1cc[nH+]c1 ZINC001348476369 981368647 /nfs/dbraw/zinc/36/86/47/981368647.db2.gz OLTFZXWDSQXLPU-UTLUCORTSA-N 1 2 239.344 1.454 20 0 BDADLO Nc1nccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496724 981418821 /nfs/dbraw/zinc/41/88/21/981418821.db2.gz GQYZTHMRMQORIO-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cn1cc(-c2ccn3cc[nH+]c3c2)cnc1=O ZINC001240510333 981433425 /nfs/dbraw/zinc/43/34/25/981433425.db2.gz IAOPUAKDHHBLTL-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO CCn1cc(-c2ccn3cc[nH+]c3c2)ncc1=O ZINC001240513295 981439570 /nfs/dbraw/zinc/43/95/70/981439570.db2.gz KROIDBRNLVIHAG-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]c3c2CCC3)[nH]1 ZINC001193899734 981501535 /nfs/dbraw/zinc/50/15/35/981501535.db2.gz MDSAAZNWLIUHEQ-UHFFFAOYSA-N 1 2 241.294 1.881 20 0 BDADLO C[C@H](C[N@@H+]1CCNC(=O)C1(C)C)C(F)(F)F ZINC000336349253 981521242 /nfs/dbraw/zinc/52/12/42/981521242.db2.gz GJKJYZFUIRPWDG-SSDOTTSWSA-N 1 2 238.253 1.395 20 0 BDADLO C[C@H](C[N@H+]1CCNC(=O)C1(C)C)C(F)(F)F ZINC000336349253 981521246 /nfs/dbraw/zinc/52/12/46/981521246.db2.gz GJKJYZFUIRPWDG-SSDOTTSWSA-N 1 2 238.253 1.395 20 0 BDADLO CCC[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001349649166 981606339 /nfs/dbraw/zinc/60/63/39/981606339.db2.gz LHLPYRUBSXJPPK-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]1C1CCCC1 ZINC001349734752 981681944 /nfs/dbraw/zinc/68/19/44/981681944.db2.gz HZANXRONJBAIND-NEPJUHHUSA-N 1 2 247.342 1.895 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@@H]1CCCO1 ZINC001349790972 981744324 /nfs/dbraw/zinc/74/43/24/981744324.db2.gz CIJCVVAHEKIASL-FJOGCWAESA-N 1 2 246.310 1.794 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001349809464 981757883 /nfs/dbraw/zinc/75/78/83/981757883.db2.gz BBFFACGPAWHCQM-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001349809467 981759127 /nfs/dbraw/zinc/75/91/27/981759127.db2.gz BBFFACGPAWHCQM-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CCCC[C@H]21 ZINC001583702239 981835708 /nfs/dbraw/zinc/83/57/08/981835708.db2.gz HDGXGUHAHSPYST-GHMZBOCLSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001588597647 981855803 /nfs/dbraw/zinc/85/58/03/981855803.db2.gz XPDPEAXJRGHEFX-NXEZZACHSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001588597647 981855804 /nfs/dbraw/zinc/85/58/04/981855804.db2.gz XPDPEAXJRGHEFX-NXEZZACHSA-N 1 2 237.303 1.073 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC2CC1(C)C2 ZINC001350099627 981871220 /nfs/dbraw/zinc/87/12/20/981871220.db2.gz BTMLDQGQWXPROC-UHFFFAOYSA-N 1 2 233.315 1.364 20 0 BDADLO CC[C@@H](C)COC(=O)N(CC)C1C[NH+](C)C1 ZINC001194795385 981884351 /nfs/dbraw/zinc/88/43/51/981884351.db2.gz DGOOQPJSLALOON-SNVBAGLBSA-N 1 2 228.336 1.805 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001350500127 981988030 /nfs/dbraw/zinc/98/80/30/981988030.db2.gz QLEYUTXCMZFPML-BXUZGUMPSA-N 1 2 249.358 1.761 20 0 BDADLO CCc1onc(C)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001350588765 982011801 /nfs/dbraw/zinc/01/18/01/982011801.db2.gz JKEGZMKJKMCULX-UHFFFAOYSA-N 1 2 234.259 1.450 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Oc1ccc(F)cc1 ZINC001194998262 982027525 /nfs/dbraw/zinc/02/75/25/982027525.db2.gz DISOOCQAFZBOHE-UHFFFAOYSA-N 1 2 249.245 1.811 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001350769017 982069495 /nfs/dbraw/zinc/06/94/95/982069495.db2.gz RLYGGSLECWKHAU-MNOVXSKESA-N 1 2 249.314 1.414 20 0 BDADLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001350959151 982137556 /nfs/dbraw/zinc/13/75/56/982137556.db2.gz XGKBEHPMBHJBHU-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1cn[nH]c1 ZINC001350959392 982138818 /nfs/dbraw/zinc/13/88/18/982138818.db2.gz YTXWMSBCQPXWND-SFYZADRCSA-N 1 2 236.275 1.302 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001195156104 982141561 /nfs/dbraw/zinc/14/15/61/982141561.db2.gz FWWPCYNMCLLKSY-WDEREUQCSA-N 1 2 246.326 1.945 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001195156104 982141567 /nfs/dbraw/zinc/14/15/67/982141567.db2.gz FWWPCYNMCLLKSY-WDEREUQCSA-N 1 2 246.326 1.945 20 0 BDADLO Nc1cn2ccc(-c3ccnc(N)c3)cc2[nH+]1 ZINC001241161877 982295816 /nfs/dbraw/zinc/29/58/16/982295816.db2.gz AHSZYTNZALKFAP-UHFFFAOYSA-N 1 2 225.255 1.561 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3cnn(C)c3C2)o1 ZINC001203301358 982304268 /nfs/dbraw/zinc/30/42/68/982304268.db2.gz LTOQZYPNJNXARO-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3cnn(C)c3C2)o1 ZINC001203301358 982304284 /nfs/dbraw/zinc/30/42/84/982304284.db2.gz LTOQZYPNJNXARO-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO NC(=O)c1cc(-c2cc[nH+]c(N)c2)ccc1F ZINC001241169472 982314553 /nfs/dbraw/zinc/31/45/53/982314553.db2.gz AVRHXQKKTHCTBC-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001195622998 982327956 /nfs/dbraw/zinc/32/79/56/982327956.db2.gz SAZWUNZDNYSXTP-UHFFFAOYSA-N 1 2 231.299 1.003 20 0 BDADLO Cc1ncc(-c2cc[nH+]c(N)c2)cc1C(N)=O ZINC001241175867 982328661 /nfs/dbraw/zinc/32/86/61/982328661.db2.gz ORSPVWDFAZGELU-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001195892990 982364786 /nfs/dbraw/zinc/36/47/86/982364786.db2.gz SIEBIUVRNYCQFA-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001351792435 982391292 /nfs/dbraw/zinc/39/12/92/982391292.db2.gz FAXNSHIAFQXRBT-SECBINFHSA-N 1 2 237.303 1.794 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001351792435 982391296 /nfs/dbraw/zinc/39/12/96/982391296.db2.gz FAXNSHIAFQXRBT-SECBINFHSA-N 1 2 237.303 1.794 20 0 BDADLO Cc1cc(N[C@@H](C)CC(N)=O)nc(C2CCC2)[nH+]1 ZINC001352045622 982444075 /nfs/dbraw/zinc/44/40/75/982444075.db2.gz LOYIAAIXYRPJKH-QMMMGPOBSA-N 1 2 248.330 1.728 20 0 BDADLO CC(=O)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001352260088 982499391 /nfs/dbraw/zinc/49/93/91/982499391.db2.gz DILXLXIOPNHUAC-UHFFFAOYSA-N 1 2 249.314 1.088 20 0 BDADLO Cc1nc(CNC(=O)CCc2c[nH]c[nH+]2)oc1C ZINC001352349291 982511788 /nfs/dbraw/zinc/51/17/88/982511788.db2.gz LDBQZKARUVLINI-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO Cc1nc(CNC(=O)CCc2c[nH+]c[nH]2)oc1C ZINC001352349291 982511790 /nfs/dbraw/zinc/51/17/90/982511790.db2.gz LDBQZKARUVLINI-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO CNC(=O)c1cc(-c2c[nH+]c(N)c(C)c2)ccn1 ZINC001241432217 982586681 /nfs/dbraw/zinc/58/66/81/982586681.db2.gz JBGCSUMHLISQEG-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(C)CCCC1 ZINC001352841090 982598621 /nfs/dbraw/zinc/59/86/21/982598621.db2.gz FASPRTZJSKAHSL-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC1(C)CC[C@@H](CN2CCn3c[nH+]cc3C2)OC1 ZINC001352889719 982624273 /nfs/dbraw/zinc/62/42/73/982624273.db2.gz MDKDJETYQSWKGP-ZDUSSCGKSA-N 1 2 249.358 1.904 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001352998307 982660731 /nfs/dbraw/zinc/66/07/31/982660731.db2.gz MRLPSOGDPSSYIW-WYGGZMRJSA-N 1 2 219.288 1.693 20 0 BDADLO CN1CCOc2c1cn[nH+]c2-c1ccc(N)cc1 ZINC001241538653 982713567 /nfs/dbraw/zinc/71/35/67/982713567.db2.gz CEPNZFDINRJIOB-UHFFFAOYSA-N 1 2 242.282 1.554 20 0 BDADLO CSCC(C)(C)c1nnc(C[NH+](C)C)o1 ZINC001326107954 982739505 /nfs/dbraw/zinc/73/95/05/982739505.db2.gz YYZUPYOCSOISRS-UHFFFAOYSA-N 1 2 229.349 1.772 20 0 BDADLO C=CS(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001198644184 982814571 /nfs/dbraw/zinc/81/45/71/982814571.db2.gz SAPDIIHJFUFBKS-UHFFFAOYSA-N 1 2 241.316 1.171 20 0 BDADLO Cn1cc2c(cccc2-c2c[nH+]cn2C)n1 ZINC001241582990 982831166 /nfs/dbraw/zinc/83/11/66/982831166.db2.gz HXSDASFDTFNLGJ-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@@H](C)OCC[C@H]2C)n1 ZINC001198761672 982834295 /nfs/dbraw/zinc/83/42/95/982834295.db2.gz PXNJHYASGXEGKY-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@@H](C)OCC[C@H]2C)n1 ZINC001198761672 982834296 /nfs/dbraw/zinc/83/42/96/982834296.db2.gz PXNJHYASGXEGKY-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO Cc1[nH]nc2cc(-c3cnc(C[NH3+])nc3)ccc12 ZINC001241640768 982877606 /nfs/dbraw/zinc/87/76/06/982877606.db2.gz YJCMKFCTNUACBD-UHFFFAOYSA-N 1 2 239.282 1.787 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CCCC[C@H]21 ZINC001300335762 982885087 /nfs/dbraw/zinc/88/50/87/982885087.db2.gz KXPIBIXWIAUAIR-VXGBXAGGSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1[nH]nc2ccc(-c3cnc(C[NH3+])nc3)cc12 ZINC001241669226 982906575 /nfs/dbraw/zinc/90/65/75/982906575.db2.gz MBSXPLDYZXNTFK-UHFFFAOYSA-N 1 2 239.282 1.787 20 0 BDADLO COCCn1c[nH+]cc1CNC(=O)C1=CC=CC1 ZINC001199694963 982998969 /nfs/dbraw/zinc/99/89/69/982998969.db2.gz BAOHFKWGXFTSKZ-UHFFFAOYSA-N 1 2 247.298 1.032 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)C1=CC=CC1 ZINC001199701180 983004092 /nfs/dbraw/zinc/00/40/92/983004092.db2.gz PYYFAGXQINLSSX-UHFFFAOYSA-N 1 2 230.267 1.463 20 0 BDADLO C[C@@H](CC(=O)N1CCCSC1)n1cc[nH+]c1 ZINC001353822836 983017945 /nfs/dbraw/zinc/01/79/45/983017945.db2.gz FYRJQKAEJZGKNI-JTQLQIEISA-N 1 2 239.344 1.757 20 0 BDADLO CCCC(=O)NC/C=C/C[NH2+]Cc1ccon1 ZINC001273806172 983062520 /nfs/dbraw/zinc/06/25/20/983062520.db2.gz YVDSBQQKHKLFNP-ONEGZZNKSA-N 1 2 237.303 1.237 20 0 BDADLO CC[C@H](C)NC(=S)NCCc1[nH+]ccn1C ZINC001200499276 983079701 /nfs/dbraw/zinc/07/97/01/983079701.db2.gz ARGLFVLHLBPTCY-VIFPVBQESA-N 1 2 240.376 1.225 20 0 BDADLO Nc1cc[nH+]c(-c2ccc3nn[nH]c3c2)c1 ZINC001241938509 983145179 /nfs/dbraw/zinc/14/51/79/983145179.db2.gz OAFFWCGTPOCPLH-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO Nc1cc[nH+]c(-c2ccc3[nH]nnc3c2)c1 ZINC001241938509 983145191 /nfs/dbraw/zinc/14/51/91/983145191.db2.gz OAFFWCGTPOCPLH-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO [NH3+]Cc1cc(-c2ccc3nn[nH]c3c2)ccn1 ZINC001241941800 983145330 /nfs/dbraw/zinc/14/53/30/983145330.db2.gz NBXZMSNFNSILIS-UHFFFAOYSA-N 1 2 225.255 1.479 20 0 BDADLO Nc1ccc(Nc2c(N)cccc2O)c[nH+]1 ZINC001201291483 983169269 /nfs/dbraw/zinc/16/92/69/983169269.db2.gz IXOUXSYKOOQVEW-UHFFFAOYSA-N 1 2 216.244 1.695 20 0 BDADLO COCCn1cc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201275323 983175727 /nfs/dbraw/zinc/17/57/27/983175727.db2.gz APVRLHNHWVGQHP-UHFFFAOYSA-N 1 2 233.275 1.250 20 0 BDADLO COC(=O)c1cc(Nc2ccc(N)[nH+]c2)cn1C ZINC001201278124 983176221 /nfs/dbraw/zinc/17/62/21/983176221.db2.gz APTZQDNEGAHMCT-UHFFFAOYSA-N 1 2 246.270 1.533 20 0 BDADLO Cc1cc2cc(N)cnc2n1-c1ccc(N)[nH+]c1 ZINC001201275319 983176766 /nfs/dbraw/zinc/17/67/66/983176766.db2.gz ADWCGTYKQSSWNH-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO Cc1cc(F)cc(N[C@@H](C)C[S@@](C)=O)[nH+]1 ZINC001354157182 983176916 /nfs/dbraw/zinc/17/69/16/983176916.db2.gz ORBAAWSMINXPGQ-VXJOIVPMSA-N 1 2 230.308 1.708 20 0 BDADLO Cc1cc(F)cc(N[C@H](C)C[S@](C)=O)[nH+]1 ZINC001354157180 983177301 /nfs/dbraw/zinc/17/73/01/983177301.db2.gz ORBAAWSMINXPGQ-GLEZIHRCSA-N 1 2 230.308 1.708 20 0 BDADLO c1c[nH+]c(-c2ccc3c(c2)NCCO3)[nH]1 ZINC001242014884 983180776 /nfs/dbraw/zinc/18/07/76/983180776.db2.gz UKODOZHRZCQFLP-UHFFFAOYSA-N 1 2 201.229 1.881 20 0 BDADLO Cc1nc(N[C@@H](CO)c2ccccn2)cc[nH+]1 ZINC001354267203 983241463 /nfs/dbraw/zinc/24/14/63/983241463.db2.gz WWICUIDKUMOORO-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO S=C(Nc1ccn2cc[nH+]c2c1)NC1CC1 ZINC001200619610 983256999 /nfs/dbraw/zinc/25/69/99/983256999.db2.gz JZOZVKKVAFWNCM-UHFFFAOYSA-N 1 2 232.312 1.783 20 0 BDADLO Nc1cn2ccc(-c3ccc(=O)[nH]c3)cc2[nH+]1 ZINC001242065656 983288455 /nfs/dbraw/zinc/28/84/55/983288455.db2.gz WDUIGUOQAVQLMV-UHFFFAOYSA-N 1 2 226.239 1.684 20 0 BDADLO CN(C)c1cc(-c2ccc(=O)[nH]c2)cc[nH+]1 ZINC001242065341 983289634 /nfs/dbraw/zinc/28/96/34/983289634.db2.gz MWKQSSAEESYJSS-UHFFFAOYSA-N 1 2 215.256 1.915 20 0 BDADLO O=Cc1cnc(NCCNc2cccc[nH+]2)nc1 ZINC001472643007 983303757 /nfs/dbraw/zinc/30/37/57/983303757.db2.gz SDJJXQWDDAUYLI-UHFFFAOYSA-N 1 2 243.270 1.208 20 0 BDADLO CCc1cnc(-c2c[nH+]c(N)cc2C)nc1 ZINC001242070542 983304141 /nfs/dbraw/zinc/30/41/41/983304141.db2.gz BNZUHUUYBGUDOZ-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2ccn(C)c21 ZINC001242071092 983304725 /nfs/dbraw/zinc/30/47/25/983304725.db2.gz TVECLDKNNKUBHR-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccnc1C ZINC001242070524 983305973 /nfs/dbraw/zinc/30/59/73/983305973.db2.gz AITQSOJOOWGBAA-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc2c1C(=O)NC2 ZINC001242073069 983311054 /nfs/dbraw/zinc/31/10/54/983311054.db2.gz VSALMCVJNNUIRZ-UHFFFAOYSA-N 1 2 240.266 1.278 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cc2c(nn1)CCOC2 ZINC001242077954 983324865 /nfs/dbraw/zinc/32/48/65/983324865.db2.gz MPWZBPZWZWUPGC-UHFFFAOYSA-N 1 2 242.282 1.502 20 0 BDADLO CCC[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001201636558 983363783 /nfs/dbraw/zinc/36/37/83/983363783.db2.gz DTJXRZZSOFSHDC-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO CCC[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001201636558 983363791 /nfs/dbraw/zinc/36/37/91/983363791.db2.gz DTJXRZZSOFSHDC-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2c(F)cccc2F)C1 ZINC001202047055 983539160 /nfs/dbraw/zinc/53/91/60/983539160.db2.gz JSGQPVUSWOORHI-UHFFFAOYSA-N 1 2 241.241 1.400 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)CCNC2=O ZINC001242323815 983558953 /nfs/dbraw/zinc/55/89/53/983558953.db2.gz DFHNURFYDZOXNY-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C ZINC001202352613 983635176 /nfs/dbraw/zinc/63/51/76/983635176.db2.gz NULAWZGXCADIAK-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CC(=O)N1CC[N@H+](CCC(F)(F)F)C[C@@H]1C ZINC001202352613 983635180 /nfs/dbraw/zinc/63/51/80/983635180.db2.gz NULAWZGXCADIAK-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO FC(F)(F)CCC[NH+]1CC2(CCO2)C1 ZINC001202424735 983653967 /nfs/dbraw/zinc/65/39/67/983653967.db2.gz NTVBOMDXLYGWMY-UHFFFAOYSA-N 1 2 209.211 1.804 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CCOC1 ZINC001202464872 983672583 /nfs/dbraw/zinc/67/25/83/983672583.db2.gz POKDHFQUYUPQET-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@H+]1C[C@H]1CCOC1 ZINC001202464872 983672593 /nfs/dbraw/zinc/67/25/93/983672593.db2.gz POKDHFQUYUPQET-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO CCCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001252113222 983697168 /nfs/dbraw/zinc/69/71/68/983697168.db2.gz WSTPQYWKCTXVOU-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO CC(C)(O)CNc1ccc[nH+]c1N1CCCC1 ZINC001252346812 983742272 /nfs/dbraw/zinc/74/22/72/983742272.db2.gz SLBVIVPNTUBAGO-UHFFFAOYSA-N 1 2 235.331 1.865 20 0 BDADLO CC(=O)c1cc(-c2ccc(N)[nH+]c2)ccn1 ZINC001242610543 983972929 /nfs/dbraw/zinc/97/29/29/983972929.db2.gz QSISVGSONBODIK-UHFFFAOYSA-N 1 2 213.240 1.928 20 0 BDADLO CCCNC(=O)N(CC)CCn1cc[nH+]c1 ZINC001202590726 984095837 /nfs/dbraw/zinc/09/58/37/984095837.db2.gz HCBTWHROKDQNGT-UHFFFAOYSA-N 1 2 224.308 1.325 20 0 BDADLO CCCNC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001202598030 984104982 /nfs/dbraw/zinc/10/49/82/984104982.db2.gz UYXDVPTWUSCZKS-UHFFFAOYSA-N 1 2 246.314 1.852 20 0 BDADLO Cc1cccc(NC(=O)NC2C[NH+](C)C2)c1C ZINC001202708206 984157603 /nfs/dbraw/zinc/15/76/03/984157603.db2.gz SWKSHCQGXNUSAE-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC001545802147 984174687 /nfs/dbraw/zinc/17/46/87/984174687.db2.gz LZBAFUDOYKVXLK-VHSXEESVSA-N 1 2 235.331 1.765 20 0 BDADLO Cn1c[nH+]cc1-c1cc(F)c(N)c(F)c1 ZINC001242838887 984188586 /nfs/dbraw/zinc/18/85/86/984188586.db2.gz KMHZGRYVSAUPRK-UHFFFAOYSA-N 1 2 209.199 1.948 20 0 BDADLO COc1nccc(-c2ccc[nH+]c2N)c1OC ZINC001242960295 984322362 /nfs/dbraw/zinc/32/23/62/984322362.db2.gz YIBATPZILMIRAZ-UHFFFAOYSA-N 1 2 231.255 1.743 20 0 BDADLO CCc1cnccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274477859 984344105 /nfs/dbraw/zinc/34/41/05/984344105.db2.gz WFJILBWPWAOFRU-UHFFFAOYSA-N 1 2 245.326 1.174 20 0 BDADLO CCc1cnccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274477859 984344111 /nfs/dbraw/zinc/34/41/11/984344111.db2.gz WFJILBWPWAOFRU-UHFFFAOYSA-N 1 2 245.326 1.174 20 0 BDADLO Cn1c[nH+]cc1C1=CCN(C(=O)C2CC2)CC1 ZINC001243026771 984376924 /nfs/dbraw/zinc/37/69/24/984376924.db2.gz PODXWWQDPPLDNV-UHFFFAOYSA-N 1 2 231.299 1.446 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cncnc1 ZINC001439227845 984384707 /nfs/dbraw/zinc/38/47/07/984384707.db2.gz ZYFYPXYWGGCWBR-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO Cc1ccc(O)cc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274948180 984419843 /nfs/dbraw/zinc/41/98/43/984419843.db2.gz KLEMOFIBTXLRNB-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1ccc(O)cc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274948180 984419870 /nfs/dbraw/zinc/41/98/70/984419870.db2.gz KLEMOFIBTXLRNB-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(F)cn1 ZINC001441813131 984489801 /nfs/dbraw/zinc/48/98/01/984489801.db2.gz HIVWBRDWDUMDOK-UHFFFAOYSA-N 1 2 234.234 1.433 20 0 BDADLO Cn1c[nH+]cc1-c1cc2c(c(F)c1)C(=O)NC2 ZINC001243068456 984489927 /nfs/dbraw/zinc/48/99/27/984489927.db2.gz YIJYMBZBTGYBBP-UHFFFAOYSA-N 1 2 231.230 1.470 20 0 BDADLO Cc1cc(C(N)=O)ccc1-c1c[nH+]cn1C ZINC001243069489 984490621 /nfs/dbraw/zinc/49/06/21/984490621.db2.gz HDTHETZZVAUCGO-UHFFFAOYSA-N 1 2 215.256 1.494 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(F)c(C(N)=O)c1 ZINC001243070482 984492936 /nfs/dbraw/zinc/49/29/36/984492936.db2.gz FRXKBANLPVGXBY-UHFFFAOYSA-N 1 2 219.219 1.325 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1C(=O)N(C)CC2 ZINC001243070745 984496090 /nfs/dbraw/zinc/49/60/90/984496090.db2.gz XIKOLOWCLQJXSI-UHFFFAOYSA-N 1 2 241.294 1.715 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NCc1cnc(C)s1 ZINC001442353707 984496534 /nfs/dbraw/zinc/49/65/34/984496534.db2.gz QEISCNHAXPEGJH-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NCc1cnc(C)s1 ZINC001442353707 984496539 /nfs/dbraw/zinc/49/65/39/984496539.db2.gz QEISCNHAXPEGJH-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO Cn1c[nH+]cc1-c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001243070974 984496922 /nfs/dbraw/zinc/49/69/22/984496922.db2.gz DKLLGQVXVJSPIK-UHFFFAOYSA-N 1 2 244.233 1.406 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(N2CCCC2=O)nc1 ZINC001243071476 984498190 /nfs/dbraw/zinc/49/81/90/984498190.db2.gz TZBBHPKTAOBOIK-UHFFFAOYSA-N 1 2 242.282 1.609 20 0 BDADLO COc1cnccc1-c1cc[nH+]c2c1CCN2 ZINC001243080100 984518919 /nfs/dbraw/zinc/51/89/19/984518919.db2.gz VCBIENCBZDKBCK-UHFFFAOYSA-N 1 2 227.267 1.763 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cncc(F)c1 ZINC001448615919 984817633 /nfs/dbraw/zinc/81/76/33/984817633.db2.gz XHBWDKQURZCCBD-JTQLQIEISA-N 1 2 223.251 1.253 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cncc(F)c1 ZINC001448615919 984817634 /nfs/dbraw/zinc/81/76/34/984817634.db2.gz XHBWDKQURZCCBD-JTQLQIEISA-N 1 2 223.251 1.253 20 0 BDADLO OC[C@@H]([NH2+]C1CCC2(CC2)CC1)c1c[nH]nn1 ZINC001578050755 984835280 /nfs/dbraw/zinc/83/52/80/984835280.db2.gz CVMJQUQNKTZBBK-LLVKDONJSA-N 1 2 236.319 1.151 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC(C)(F)F ZINC001450425544 984871377 /nfs/dbraw/zinc/87/13/77/984871377.db2.gz VGPDNHJRWORNCJ-UHFFFAOYSA-N 1 2 231.246 1.422 20 0 BDADLO Cc1ncc(CNC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001451189515 984886410 /nfs/dbraw/zinc/88/64/10/984886410.db2.gz AUIUUHUIXBMDCM-QMMMGPOBSA-N 1 2 234.259 1.057 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001451241015 984886846 /nfs/dbraw/zinc/88/68/46/984886846.db2.gz GAKAEHDYIKIHNN-MNOVXSKESA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001451241015 984886848 /nfs/dbraw/zinc/88/68/48/984886848.db2.gz GAKAEHDYIKIHNN-MNOVXSKESA-N 1 2 237.303 1.026 20 0 BDADLO CCCC[C@H](CC)[NH+]1CC(F)(CO)C1 ZINC001257419668 984983956 /nfs/dbraw/zinc/98/39/56/984983956.db2.gz YYJAWUWARSNSOL-JTQLQIEISA-N 1 2 203.301 1.971 20 0 BDADLO Nc1[nH+]cccc1-c1ccccc1-c1nn[nH]n1 ZINC001243472361 985018872 /nfs/dbraw/zinc/01/88/72/985018872.db2.gz IXJMXGSRIDWXRP-UHFFFAOYSA-N 1 2 238.254 1.511 20 0 BDADLO CCOC(=O)c1ccncc1-c1ccc[nH+]c1N ZINC001243473218 985020231 /nfs/dbraw/zinc/02/02/31/985020231.db2.gz IDDOWGBWVWMHHO-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO Cc1ncnc(C)c1-c1ccc[nH+]c1N ZINC001243473636 985021245 /nfs/dbraw/zinc/02/12/45/985021245.db2.gz DINLXMQJBVKPHS-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO Nc1[nH+]cccc1-c1c[nH]cc2ncnc1-2 ZINC001243474102 985021768 /nfs/dbraw/zinc/02/17/68/985021768.db2.gz JPNVFAMJIBHVEQ-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO CN1c2ccc(-c3ccc[nH+]c3N)cc2CC1=O ZINC001243475418 985028763 /nfs/dbraw/zinc/02/87/63/985028763.db2.gz YQWMPJMXAQFENU-UHFFFAOYSA-N 1 2 239.278 1.850 20 0 BDADLO Nc1[nH+]cccc1-c1cc2c(cc1F)CC(=O)N2 ZINC001243475047 985030670 /nfs/dbraw/zinc/03/06/70/985030670.db2.gz CLQYWSZEFTXRRZ-UHFFFAOYSA-N 1 2 243.241 1.965 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2ncoc2c1 ZINC001243474780 985032357 /nfs/dbraw/zinc/03/23/57/985032357.db2.gz RPGDNOACWHLNHE-UHFFFAOYSA-N 1 2 212.212 1.867 20 0 BDADLO Nc1[nH+]cccc1-c1cnc(OCC2CC2)nc1 ZINC001243477254 985034675 /nfs/dbraw/zinc/03/46/75/985034675.db2.gz NZSQAUJNEYCTJC-UHFFFAOYSA-N 1 2 242.282 1.910 20 0 BDADLO CC(C)n1cc(-c2ccc[nH+]c2N)cnc1=O ZINC001243477258 985038098 /nfs/dbraw/zinc/03/80/98/985038098.db2.gz OFPFCMFEMFBXCW-UHFFFAOYSA-N 1 2 230.271 1.468 20 0 BDADLO CC(=O)Nc1ncc(C)cc1-c1ccc[nH+]c1N ZINC001243477156 985038376 /nfs/dbraw/zinc/03/83/76/985038376.db2.gz JYRQKXPKCOXYBV-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CC23CC3)c[nH+]1 ZINC001456141898 985112741 /nfs/dbraw/zinc/11/27/41/985112741.db2.gz BVKNAHMKMNRVKT-VIFPVBQESA-N 1 2 219.288 1.388 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CC23CC3)[nH+]1 ZINC001456141898 985112754 /nfs/dbraw/zinc/11/27/54/985112754.db2.gz BVKNAHMKMNRVKT-VIFPVBQESA-N 1 2 219.288 1.388 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cnc(C)cn2)c[nH+]1 ZINC001456141447 985118687 /nfs/dbraw/zinc/11/86/87/985118687.db2.gz HQIPFGBSMOBAAN-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cnc(C)cn2)[nH+]1 ZINC001456141447 985118694 /nfs/dbraw/zinc/11/86/94/985118694.db2.gz HQIPFGBSMOBAAN-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCOC(=O)C[N@H+](CCC(OC)OC)C1CC1 ZINC000686609451 985147245 /nfs/dbraw/zinc/14/72/45/985147245.db2.gz PTDFRBCSNLBAGC-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(OC)OC)C1CC1 ZINC000686609451 985147253 /nfs/dbraw/zinc/14/72/53/985147253.db2.gz PTDFRBCSNLBAGC-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2conc2C)cc1 ZINC001243678031 985187623 /nfs/dbraw/zinc/18/76/23/985187623.db2.gz OARVISGXDYRVSU-LBPRGKRZSA-N 1 2 246.266 1.823 20 0 BDADLO O=C1CCC[N@H+]([C@@H]2CCCSC2)C[C@H]1F ZINC001257673588 985250003 /nfs/dbraw/zinc/25/00/03/985250003.db2.gz ZLETVKOAMNMXRX-NXEZZACHSA-N 1 2 231.336 1.885 20 0 BDADLO O=C1CCC[N@@H+]([C@@H]2CCCSC2)C[C@H]1F ZINC001257673588 985250008 /nfs/dbraw/zinc/25/00/08/985250008.db2.gz ZLETVKOAMNMXRX-NXEZZACHSA-N 1 2 231.336 1.885 20 0 BDADLO CCN1CC[N@@H+](Cc2ncccc2O)C(C)(C)C1 ZINC001138396059 985306017 /nfs/dbraw/zinc/30/60/17/985306017.db2.gz GYYZGNKKFFOFGX-UHFFFAOYSA-N 1 2 249.358 1.703 20 0 BDADLO C[C@H]1CC(=O)Nc2ncnc(C3=C[NH2+]CCC3)c21 ZINC001243947500 985622286 /nfs/dbraw/zinc/62/22/86/985622286.db2.gz KEBOIPDZTVBMDX-QMMMGPOBSA-N 1 2 244.298 1.647 20 0 BDADLO c1cnc2nc(C3=C[NH2+]CCC3)ccc2n1 ZINC001243948253 985629066 /nfs/dbraw/zinc/62/90/66/985629066.db2.gz ZGONYGYSXPNYMV-UHFFFAOYSA-N 1 2 212.256 1.749 20 0 BDADLO COC(=O)c1cc(C)cnc1C1=C[NH2+]CCC1 ZINC001243948038 985631290 /nfs/dbraw/zinc/63/12/90/985631290.db2.gz UBXQPPJSQWSLDI-UHFFFAOYSA-N 1 2 232.283 1.901 20 0 BDADLO CS(=O)(=O)c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949867 985642093 /nfs/dbraw/zinc/64/20/93/985642093.db2.gz SIHSUIZYJNPTSK-UHFFFAOYSA-N 1 2 238.312 1.209 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC001459871628 985648711 /nfs/dbraw/zinc/64/87/11/985648711.db2.gz DUJZEWYRBZDPIT-KXUCPTDWSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC001459871628 985648720 /nfs/dbraw/zinc/64/87/20/985648720.db2.gz DUJZEWYRBZDPIT-KXUCPTDWSA-N 1 2 238.335 1.131 20 0 BDADLO CNc1ncccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC001138689038 985708179 /nfs/dbraw/zinc/70/81/79/985708179.db2.gz CBLOVYBWKCCGAU-GFCCVEGCSA-N 1 2 239.294 1.030 20 0 BDADLO CNc1ncccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC001138689038 985708182 /nfs/dbraw/zinc/70/81/82/985708182.db2.gz CBLOVYBWKCCGAU-GFCCVEGCSA-N 1 2 239.294 1.030 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@@H+](CCCCO)C1 ZINC001460777034 985895145 /nfs/dbraw/zinc/89/51/45/985895145.db2.gz AKSGAXAVLBUVMM-JTQLQIEISA-N 1 2 223.320 1.176 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@H+](CCCCO)C1 ZINC001460777034 985895148 /nfs/dbraw/zinc/89/51/48/985895148.db2.gz AKSGAXAVLBUVMM-JTQLQIEISA-N 1 2 223.320 1.176 20 0 BDADLO CC(C)=CC(=O)NCCc1[nH+]ccn1C ZINC000300745271 985942807 /nfs/dbraw/zinc/94/28/07/985942807.db2.gz OVFQDEYQTQNKRF-UHFFFAOYSA-N 1 2 207.277 1.045 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1cnc(N)nc1 ZINC001212963484 985973630 /nfs/dbraw/zinc/97/36/30/985973630.db2.gz UVNUQTTZRIWLSB-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC001461520962 986071493 /nfs/dbraw/zinc/07/14/93/986071493.db2.gz KNIXWASNUVVDOP-LLVKDONJSA-N 1 2 246.289 1.960 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H]2CCn3ccnc32)cn1 ZINC001461524301 986073459 /nfs/dbraw/zinc/07/34/59/986073459.db2.gz XWIFQZLPJRVSGC-GFCCVEGCSA-N 1 2 245.330 1.895 20 0 BDADLO CC(=Cc1ccccc1)C[NH2+]Cc1c[nH]nn1 ZINC001461654369 986111340 /nfs/dbraw/zinc/11/13/40/986111340.db2.gz AQSQTSADSJZRQR-YRNVUSSQSA-N 1 2 228.299 1.998 20 0 BDADLO Cc1cc(F)c(C[NH2+][C@@H]2CNOC2)c(F)c1 ZINC001579608190 986122832 /nfs/dbraw/zinc/12/28/32/986122832.db2.gz MGHRJPDNYMHAJC-MRVPVSSYSA-N 1 2 228.242 1.266 20 0 BDADLO CCCC[C@H](CCC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258757683 986123265 /nfs/dbraw/zinc/12/32/65/986123265.db2.gz RORBASCFBBNTCN-GRYCIOLGSA-N 1 2 245.363 1.857 20 0 BDADLO Cc1cc(NC(=O)C[C@H]([NH3+])C(F)F)c[nH]c1=O ZINC001579627033 986138264 /nfs/dbraw/zinc/13/82/64/986138264.db2.gz WNQAISMZJQBXOU-ZETCQYMHSA-N 1 2 245.229 1.017 20 0 BDADLO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1nnc(CO)[nH]1 ZINC001461840344 986193450 /nfs/dbraw/zinc/19/34/50/986193450.db2.gz CQEYZQDXIVPENN-ZJUUUORDSA-N 1 2 238.335 1.213 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C1CCC1 ZINC001038008530 986247696 /nfs/dbraw/zinc/24/76/96/986247696.db2.gz WFAORPQAUPLTAJ-VXGBXAGGSA-N 1 2 242.338 1.725 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C1CCC1 ZINC001038008530 986247704 /nfs/dbraw/zinc/24/77/04/986247704.db2.gz WFAORPQAUPLTAJ-VXGBXAGGSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H](O)c1cc[nH+]c(NC[C@@H](O)C(C)(C)C)c1 ZINC001253719792 986336383 /nfs/dbraw/zinc/33/63/83/986336383.db2.gz GJZQJYQDEKROJR-GXSJLCMTSA-N 1 2 238.331 1.954 20 0 BDADLO COCCC1(C)C[NH+](Cc2nn(C)cc2C)C1 ZINC001462335176 986353431 /nfs/dbraw/zinc/35/34/31/986353431.db2.gz SSJWCFSQENFXJF-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO CC(C)[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001253756912 986382053 /nfs/dbraw/zinc/38/20/53/986382053.db2.gz LGVQTZFDUINYGF-KOLCDFICSA-N 1 2 224.304 1.564 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001253758263 986383267 /nfs/dbraw/zinc/38/32/67/986383267.db2.gz WXKWOXQRHAUSGU-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001253758263 986383275 /nfs/dbraw/zinc/38/32/75/986383275.db2.gz WXKWOXQRHAUSGU-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO CNc1cc(-c2cccc(=O)n2C)cc[nH+]1 ZINC001244971690 986544786 /nfs/dbraw/zinc/54/47/86/986544786.db2.gz INHPDDZKEKMJHO-UHFFFAOYSA-N 1 2 215.256 1.489 20 0 BDADLO CC(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001097665412 986631451 /nfs/dbraw/zinc/63/14/51/986631451.db2.gz GKRIUBKPIPFHHY-VIFPVBQESA-N 1 2 248.330 1.599 20 0 BDADLO CCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097681498 986635823 /nfs/dbraw/zinc/63/58/23/986635823.db2.gz PWWKATQQAMJUFD-VIFPVBQESA-N 1 2 236.319 1.502 20 0 BDADLO Cc1c(CN(C)C2COC2)[nH+]c2ccccn21 ZINC001137272242 986703490 /nfs/dbraw/zinc/70/34/90/986703490.db2.gz NPVRJAIGAPCTNI-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO Cc1c(CN2CC(=O)C2)[nH+]c2ccccn12 ZINC001137273079 986713349 /nfs/dbraw/zinc/71/33/49/986713349.db2.gz BJLJOEIKJARRKS-UHFFFAOYSA-N 1 2 215.256 1.027 20 0 BDADLO C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001465689471 986732094 /nfs/dbraw/zinc/73/20/94/986732094.db2.gz HPZINZIWWQDNQA-JTQLQIEISA-N 1 2 229.283 1.816 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC12CCC(CC1)C2 ZINC001466828056 986827356 /nfs/dbraw/zinc/82/73/56/986827356.db2.gz TXQZBDNUPIZZKZ-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N1CCc2cc(F)ccc21 ZINC001467498565 986851811 /nfs/dbraw/zinc/85/18/11/986851811.db2.gz ZWDJKKZALGRHHP-UHFFFAOYSA-N 1 2 245.257 1.681 20 0 BDADLO O=C([C@H]1[NH2+]CCc2occc21)N1CCCCO1 ZINC001580488393 986877053 /nfs/dbraw/zinc/87/70/53/986877053.db2.gz DWMSURPLIKKUTB-NSHDSACASA-N 1 2 236.271 1.020 20 0 BDADLO Cc1cc(-c2cnc3[nH]ccc3n2)c[nH+]c1N ZINC001245535872 986907672 /nfs/dbraw/zinc/90/76/72/986907672.db2.gz GYHMCECPNNMIKC-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO COc1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245535288 986908961 /nfs/dbraw/zinc/90/89/61/986908961.db2.gz OYLXAXHJNNNFBO-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO CNC(=O)c1cccnc1-c1c[nH+]c(N)c(C)c1 ZINC001245535739 986910465 /nfs/dbraw/zinc/91/04/65/986910465.db2.gz OCEOJLOIAWNYCG-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO Cc1cc(-c2cc(N)c(F)cn2)c[nH+]c1N ZINC001245538276 986920472 /nfs/dbraw/zinc/92/04/72/986920472.db2.gz KQZCHXAWLDADIM-UHFFFAOYSA-N 1 2 218.235 1.756 20 0 BDADLO COc1ncc(-c2c[nH+]c(N)c(C)c2)c(C)n1 ZINC001245538784 986921338 /nfs/dbraw/zinc/92/13/38/986921338.db2.gz GUXXJTXJXRFNJI-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646595 987043248 /nfs/dbraw/zinc/04/32/48/987043248.db2.gz PGYYFJFLXYZYJO-GJMOJQLCSA-N 1 2 229.217 1.996 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646595 987043259 /nfs/dbraw/zinc/04/32/59/987043259.db2.gz PGYYFJFLXYZYJO-GJMOJQLCSA-N 1 2 229.217 1.996 20 0 BDADLO COC(=O)N(C)CCNc1cccc[nH+]1 ZINC000689561575 987063112 /nfs/dbraw/zinc/06/31/12/987063112.db2.gz LFRZJLMPYAXIQC-UHFFFAOYSA-N 1 2 209.249 1.192 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccsn2)C1 ZINC001471452687 987092884 /nfs/dbraw/zinc/09/28/84/987092884.db2.gz CWRDLOBBCCRFPC-MRVPVSSYSA-N 1 2 225.317 1.423 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccsn2)C1 ZINC001471452687 987092899 /nfs/dbraw/zinc/09/28/99/987092899.db2.gz CWRDLOBBCCRFPC-MRVPVSSYSA-N 1 2 225.317 1.423 20 0 BDADLO [NH3+]Cc1cc(=O)n([C@@H]2CCc3ccccc3C2)[nH]1 ZINC001245924225 987168066 /nfs/dbraw/zinc/16/80/66/987168066.db2.gz BNJQTVUJNOBBLN-CYBMUJFWSA-N 1 2 243.310 1.777 20 0 BDADLO Cc1nc(N2C[C@H]3CSC[C@@]3(C)C2)cc[nH+]1 ZINC001472895632 987296540 /nfs/dbraw/zinc/29/65/40/987296540.db2.gz AKVNRRZWOZSQPY-CMPLNLGQSA-N 1 2 235.356 1.974 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](COC)OC)c1noc(C)n1 ZINC001473367751 987406503 /nfs/dbraw/zinc/40/65/03/987406503.db2.gz BHVLYTHNXUFJSB-VHSXEESVSA-N 1 2 243.307 1.080 20 0 BDADLO C[C@@H](C(=O)NCc1ccc(O)cc1)n1cc[nH+]c1 ZINC001115900634 987410195 /nfs/dbraw/zinc/41/01/95/987410195.db2.gz SIBWBHLZVTVMIO-JTQLQIEISA-N 1 2 245.282 1.466 20 0 BDADLO COc1cccnc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001115955487 987420413 /nfs/dbraw/zinc/42/04/13/987420413.db2.gz OVTFAHORQJGTMY-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO CC[C@H](O)CCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116205053 987474732 /nfs/dbraw/zinc/47/47/32/987474732.db2.gz MMFNTPWNJOOZLP-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO CC(C)C1CN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001116368992 987534396 /nfs/dbraw/zinc/53/43/96/987534396.db2.gz PAVQYQOGJMRSMI-JTQLQIEISA-N 1 2 221.304 1.559 20 0 BDADLO Cc1cc(C[NH+]2CCC(CCO)CC2)n[nH]1 ZINC001116439476 987574326 /nfs/dbraw/zinc/57/43/26/987574326.db2.gz BUODKHBIUQGMSF-UHFFFAOYSA-N 1 2 223.320 1.313 20 0 BDADLO CC(F)(F)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001473829691 987574726 /nfs/dbraw/zinc/57/47/26/987574726.db2.gz ZHJSYCDQYBNHHQ-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO CCCC[N@H+](CCOC)Cc1cc(C)[nH]n1 ZINC001116443619 987581068 /nfs/dbraw/zinc/58/10/68/987581068.db2.gz DAWZOFIKXQFZHG-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1cc(C)[nH]n1 ZINC001116443619 987581076 /nfs/dbraw/zinc/58/10/76/987581076.db2.gz DAWZOFIKXQFZHG-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CN1 ZINC001246219938 987618123 /nfs/dbraw/zinc/61/81/23/987618123.db2.gz AXNKQBXHMSTVSR-NDBYEHHHSA-N 1 2 226.364 1.268 20 0 BDADLO CCn1nnnc1SCCCn1cc[nH+]c1 ZINC001116573410 987633924 /nfs/dbraw/zinc/63/39/24/987633924.db2.gz JRGGQFSXPVCEFD-UHFFFAOYSA-N 1 2 238.320 1.072 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1nccc2ccccc21 ZINC001474219595 987662048 /nfs/dbraw/zinc/66/20/48/987662048.db2.gz HBLFUGBPFKWIER-UHFFFAOYSA-N 1 2 239.282 1.643 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc3cnccc3o2)c1 ZINC001474294163 987677986 /nfs/dbraw/zinc/67/79/86/987677986.db2.gz JLIFTFPONRKZKW-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cc1ccc(C[C@H](C)N[C@H]2C[NH2+]CCC2=O)cc1 ZINC001246286604 987678167 /nfs/dbraw/zinc/67/81/67/987678167.db2.gz DFNQDYXKQINYQY-JSGCOSHPSA-N 1 2 246.354 1.447 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(Cl)cs1 ZINC001474481390 987733044 /nfs/dbraw/zinc/73/30/44/987733044.db2.gz UMOKZVCSOHAYEY-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nc(Cl)cs1 ZINC001474481390 987733049 /nfs/dbraw/zinc/73/30/49/987733049.db2.gz UMOKZVCSOHAYEY-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc(Cl)cs1 ZINC001474481393 987733859 /nfs/dbraw/zinc/73/38/59/987733859.db2.gz UMOKZVCSOHAYEY-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nc(Cl)cs1 ZINC001474481393 987733866 /nfs/dbraw/zinc/73/38/66/987733866.db2.gz UMOKZVCSOHAYEY-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nc(Cl)cs1 ZINC001474481392 987735493 /nfs/dbraw/zinc/73/54/93/987735493.db2.gz UMOKZVCSOHAYEY-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nc(Cl)cs1 ZINC001474481392 987735502 /nfs/dbraw/zinc/73/55/02/987735502.db2.gz UMOKZVCSOHAYEY-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccncc2F)o1 ZINC001474573769 987766579 /nfs/dbraw/zinc/76/65/79/987766579.db2.gz FTZDVKVQUNUWTM-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCN(C(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC001478784178 987884253 /nfs/dbraw/zinc/88/42/53/987884253.db2.gz NQDNPICDGJCOAI-UHFFFAOYSA-N 1 2 236.319 1.157 20 0 BDADLO COCC(C)(C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001117767268 987898634 /nfs/dbraw/zinc/89/86/34/987898634.db2.gz IABNOXJDFWSHAT-JTQLQIEISA-N 1 2 239.319 1.233 20 0 BDADLO Cc1nnc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)o1 ZINC001117777266 987907353 /nfs/dbraw/zinc/90/73/53/987907353.db2.gz JIWICPKYYOMYOH-SSDOTTSWSA-N 1 2 233.275 1.220 20 0 BDADLO CC(C)ONC(=O)c1cccc2[nH+]ccn21 ZINC001117816850 987938506 /nfs/dbraw/zinc/93/85/06/987938506.db2.gz MAVSAOOFKQHKGG-UHFFFAOYSA-N 1 2 219.244 1.404 20 0 BDADLO Nc1cc(NCc2cn3ccccc3n2)[nH+]cn1 ZINC001321565787 987939803 /nfs/dbraw/zinc/93/98/03/987939803.db2.gz BKSMTWGDXDFUDW-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)n[nH]1 ZINC001117948092 987964233 /nfs/dbraw/zinc/96/42/33/987964233.db2.gz MCNMFYNMHRJLHT-MNOVXSKESA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)n[nH]1 ZINC001117948092 987964244 /nfs/dbraw/zinc/96/42/44/987964244.db2.gz MCNMFYNMHRJLHT-MNOVXSKESA-N 1 2 223.320 1.311 20 0 BDADLO Cc1nn(C)cc1CSCCn1cc[nH+]c1 ZINC001118041653 987993139 /nfs/dbraw/zinc/99/31/39/987993139.db2.gz TZHINMGEXBHCMH-UHFFFAOYSA-N 1 2 236.344 1.858 20 0 BDADLO CC[NH2+]C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001321854915 988027699 /nfs/dbraw/zinc/02/76/99/988027699.db2.gz CBUXASDGTFMMPH-WDSKDSINSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+]C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001321854915 988027718 /nfs/dbraw/zinc/02/77/18/988027718.db2.gz CBUXASDGTFMMPH-WDSKDSINSA-N 1 2 230.205 1.001 20 0 BDADLO CCC[N@H+](CCNC(C)=O)Cc1ccon1 ZINC001493270122 988073817 /nfs/dbraw/zinc/07/38/17/988073817.db2.gz QESNWKVKFNVPKM-UHFFFAOYSA-N 1 2 225.292 1.023 20 0 BDADLO CCC[N@@H+](CCNC(C)=O)Cc1ccon1 ZINC001493270122 988073830 /nfs/dbraw/zinc/07/38/30/988073830.db2.gz QESNWKVKFNVPKM-UHFFFAOYSA-N 1 2 225.292 1.023 20 0 BDADLO CC[NH2+]Cc1noc(CCNc2ccccc2)n1 ZINC001118181396 988078505 /nfs/dbraw/zinc/07/85/05/988078505.db2.gz VXQFGOXXYLVSRX-UHFFFAOYSA-N 1 2 246.314 1.834 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)no1 ZINC001322024501 988079378 /nfs/dbraw/zinc/07/93/78/988079378.db2.gz BKOUYBVDHUZNEK-MRVPVSSYSA-N 1 2 220.232 1.379 20 0 BDADLO CC(C)(C)CC(=O)NCC1C[NH+](CCF)C1 ZINC001494524157 988154525 /nfs/dbraw/zinc/15/45/25/988154525.db2.gz SZXIZEGXELTOBZ-UHFFFAOYSA-N 1 2 230.327 1.440 20 0 BDADLO C[C@H](C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)n1cc[nH+]c1 ZINC001118270697 988173239 /nfs/dbraw/zinc/17/32/39/988173239.db2.gz AQBRLOAJVRGMFM-HLTSFMKQSA-N 1 2 241.241 1.168 20 0 BDADLO Cc1cc(C)c(C(=O)OCc2cc[nH+]c(N)c2)[nH]1 ZINC001322276952 988190998 /nfs/dbraw/zinc/19/09/98/988190998.db2.gz GHPYXBPTHFSODV-UHFFFAOYSA-N 1 2 245.282 1.966 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCC[C@H](C)O)C1CC1 ZINC001118292111 988194448 /nfs/dbraw/zinc/19/44/48/988194448.db2.gz ZEFOHKFDEKWYOB-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1c(NC(=O)CCc2c[nH]c[nH+]2)cnn1C ZINC001322415517 988258892 /nfs/dbraw/zinc/25/88/92/988258892.db2.gz FOFDCWCHIRENCF-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1c(NC(=O)CCc2c[nH+]c[nH]2)cnn1C ZINC001322415517 988258911 /nfs/dbraw/zinc/25/89/11/988258911.db2.gz FOFDCWCHIRENCF-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO CCCCNC(=O)C[NH+]1CCC(F)(F)CC1 ZINC001322484278 988297748 /nfs/dbraw/zinc/29/77/48/988297748.db2.gz KRPUMLBLQYZJDT-UHFFFAOYSA-N 1 2 234.290 1.634 20 0 BDADLO Cc1noc(C)c1Cc1nnc(C[NH+](C)C)o1 ZINC001322983170 988421958 /nfs/dbraw/zinc/42/19/58/988421958.db2.gz GPXILNCYGAGVSC-UHFFFAOYSA-N 1 2 236.275 1.327 20 0 BDADLO CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001323338587 988501788 /nfs/dbraw/zinc/50/17/88/988501788.db2.gz AEKCCKRNZMFWKT-RWCYGVJQSA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001323338587 988501798 /nfs/dbraw/zinc/50/17/98/988501798.db2.gz AEKCCKRNZMFWKT-RWCYGVJQSA-N 1 2 244.766 1.976 20 0 BDADLO CCC(CC)C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001499633017 988551936 /nfs/dbraw/zinc/55/19/36/988551936.db2.gz YKPNOIRXLLMMQW-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001323631407 988568426 /nfs/dbraw/zinc/56/84/26/988568426.db2.gz MENAETAGHUNLOB-GMTAPVOTSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(F)F ZINC001548717619 988653375 /nfs/dbraw/zinc/65/33/75/988653375.db2.gz KOGXEWYNUGTBDA-SFYZADRCSA-N 1 2 243.257 1.215 20 0 BDADLO C[C@H](C(=O)NCCc1ccncc1)n1cc[nH+]c1 ZINC001323959070 988657420 /nfs/dbraw/zinc/65/74/20/988657420.db2.gz QILLCNHMZZGMCP-LLVKDONJSA-N 1 2 244.298 1.198 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001118883976 988667521 /nfs/dbraw/zinc/66/75/21/988667521.db2.gz PPNVWMHHBVBCBD-UHFFFAOYSA-N 1 2 228.299 1.583 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](C)[C@H](O)C2)[nH+]1 ZINC001548514268 988678276 /nfs/dbraw/zinc/67/82/76/988678276.db2.gz YNZFMKHFGLRUQC-GZMMTYOYSA-N 1 2 224.279 1.736 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@H](O)C2)[nH+]1 ZINC001548514271 988678577 /nfs/dbraw/zinc/67/85/77/988678577.db2.gz YNZFMKHFGLRUQC-LDYMZIIASA-N 1 2 224.279 1.736 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324373598 988803279 /nfs/dbraw/zinc/80/32/79/988803279.db2.gz ODCRADIHHWEXBI-RKDXNWHRSA-N 1 2 213.256 1.308 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001324373595 988818039 /nfs/dbraw/zinc/81/80/39/988818039.db2.gz ODCRADIHHWEXBI-BDAKNGLRSA-N 1 2 213.256 1.308 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)n[nH]1 ZINC001324376674 988822473 /nfs/dbraw/zinc/82/24/73/988822473.db2.gz CVZFQQNOWPWIIH-GFCCVEGCSA-N 1 2 239.363 1.947 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)n[nH]1 ZINC001324376674 988822479 /nfs/dbraw/zinc/82/24/79/988822479.db2.gz CVZFQQNOWPWIIH-GFCCVEGCSA-N 1 2 239.363 1.947 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cccn2C2CC2)[nH]1 ZINC001324378171 988823393 /nfs/dbraw/zinc/82/33/93/988823393.db2.gz KOCGHJZTXHRKGZ-UHFFFAOYSA-N 1 2 245.330 1.793 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)nn2)CC12CC2 ZINC001119245162 988858807 /nfs/dbraw/zinc/85/88/07/988858807.db2.gz MUBIFJCLSORACL-SECBINFHSA-N 1 2 239.706 1.087 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)CC12CC2 ZINC001119245162 988858808 /nfs/dbraw/zinc/85/88/08/988858808.db2.gz MUBIFJCLSORACL-SECBINFHSA-N 1 2 239.706 1.087 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC001119252291 988866385 /nfs/dbraw/zinc/86/63/85/988866385.db2.gz ANRNFFPAKFKIEH-GFCCVEGCSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC001119252291 988866387 /nfs/dbraw/zinc/86/63/87/988866387.db2.gz ANRNFFPAKFKIEH-GFCCVEGCSA-N 1 2 249.358 1.811 20 0 BDADLO Cc1ccc(-c2noc([C@H]([NH3+])CO)n2)cc1C ZINC001247490739 988898030 /nfs/dbraw/zinc/89/80/30/988898030.db2.gz KIPISYCPLYSCDE-SNVBAGLBSA-N 1 2 233.271 1.346 20 0 BDADLO Cc1ccc(-c2noc([C@H]([NH3+])CO)n2)c(F)c1 ZINC001247491985 988902699 /nfs/dbraw/zinc/90/26/99/988902699.db2.gz YEECLUNAHGEEGD-SECBINFHSA-N 1 2 237.234 1.176 20 0 BDADLO CCCC[N@H+](CCO)Cc1cc(C)[nH]n1 ZINC001324702440 988938820 /nfs/dbraw/zinc/93/88/20/988938820.db2.gz YPLTUPWBYXRRBS-UHFFFAOYSA-N 1 2 211.309 1.313 20 0 BDADLO CCCC[N@@H+](CCO)Cc1cc(C)[nH]n1 ZINC001324702440 988938828 /nfs/dbraw/zinc/93/88/28/988938828.db2.gz YPLTUPWBYXRRBS-UHFFFAOYSA-N 1 2 211.309 1.313 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)c(C)c1 ZINC001247616658 988953452 /nfs/dbraw/zinc/95/34/52/988953452.db2.gz BKFVZOQYWKFPEZ-KOLCDFICSA-N 1 2 247.298 1.734 20 0 BDADLO Cc1c[nH]nc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC001119341234 988978888 /nfs/dbraw/zinc/97/88/88/988978888.db2.gz MTBVCLSNBJJXBH-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO Cc1c[nH]nc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001119341234 988978900 /nfs/dbraw/zinc/97/89/00/988978900.db2.gz MTBVCLSNBJJXBH-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO C[C@@H](C(=O)NC1(C2(C)CC2)CC1)n1cc[nH+]c1 ZINC001324949485 989030203 /nfs/dbraw/zinc/03/02/03/989030203.db2.gz IIWNSKBBQRMKHG-JTQLQIEISA-N 1 2 233.315 1.893 20 0 BDADLO C[C@@H](C(=O)N1CC(C)(F)C1)n1cc[nH+]c1 ZINC001324967027 989033852 /nfs/dbraw/zinc/03/38/52/989033852.db2.gz OXTPJAVUOLEODI-QMMMGPOBSA-N 1 2 211.240 1.015 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccnc(C)c2)no1 ZINC001247961665 989053971 /nfs/dbraw/zinc/05/39/71/989053971.db2.gz QENHGECISWEAMB-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO CO[C@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001515914443 989130683 /nfs/dbraw/zinc/13/06/83/989130683.db2.gz LOWKHGWGCHAQAK-SECBINFHSA-N 1 2 226.276 1.196 20 0 BDADLO COc1nc(C)cc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001515991411 989133927 /nfs/dbraw/zinc/13/39/27/989133927.db2.gz WZTJJCHXZVYZCX-UHFFFAOYSA-N 1 2 247.302 1.746 20 0 BDADLO CCc1ccc(N2CC[C@@H](O)[C@@H](F)C2)[nH+]c1 ZINC001516050466 989137795 /nfs/dbraw/zinc/13/77/95/989137795.db2.gz FDNFPAVPDZKSPA-WDEREUQCSA-N 1 2 224.279 1.553 20 0 BDADLO Cn1c(C[N@@H+]2CCOCC23CCC3)cccc1=O ZINC001248808305 989165496 /nfs/dbraw/zinc/16/54/96/989165496.db2.gz ACLFOXRFPRZBRB-UHFFFAOYSA-N 1 2 248.326 1.140 20 0 BDADLO Cn1c(C[N@H+]2CCOCC23CCC3)cccc1=O ZINC001248808305 989165504 /nfs/dbraw/zinc/16/55/04/989165504.db2.gz ACLFOXRFPRZBRB-UHFFFAOYSA-N 1 2 248.326 1.140 20 0 BDADLO c1cc2n(c1C[NH+]1CC3(C1)CCCO3)CCC2 ZINC001248821539 989178584 /nfs/dbraw/zinc/17/85/84/989178584.db2.gz DMQGVHCHQCOOJP-UHFFFAOYSA-N 1 2 232.327 1.799 20 0 BDADLO c1cc2n(c1C[N@@H+]1CCn3nncc3C1)CCC2 ZINC001248824720 989182415 /nfs/dbraw/zinc/18/24/15/989182415.db2.gz YSMKHRLLPKYTMF-UHFFFAOYSA-N 1 2 243.314 1.042 20 0 BDADLO c1cc2n(c1C[N@H+]1CCn3nncc3C1)CCC2 ZINC001248824720 989182420 /nfs/dbraw/zinc/18/24/20/989182420.db2.gz YSMKHRLLPKYTMF-UHFFFAOYSA-N 1 2 243.314 1.042 20 0 BDADLO CCCOC1CC[NH+](Cc2nonc2C)CC1 ZINC001248859082 989202982 /nfs/dbraw/zinc/20/29/82/989202982.db2.gz YUSZSKVUFONXOY-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001248971561 989231015 /nfs/dbraw/zinc/23/10/15/989231015.db2.gz AZCZBGMYPCDOKO-NWDGAFQWSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001248971561 989231023 /nfs/dbraw/zinc/23/10/23/989231023.db2.gz AZCZBGMYPCDOKO-NWDGAFQWSA-N 1 2 233.315 1.314 20 0 BDADLO Nc1cnc(C[NH2+]Cc2cc(C3CC3)no2)cn1 ZINC001119610610 989235580 /nfs/dbraw/zinc/23/55/80/989235580.db2.gz AXJQFSWKIAJXRQ-UHFFFAOYSA-N 1 2 245.286 1.214 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCCO1 ZINC001119634045 989271279 /nfs/dbraw/zinc/27/12/79/989271279.db2.gz XNFMWJXUQXWQAP-JQWIXIFHSA-N 1 2 249.314 1.040 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2cc(C)sn2)C1 ZINC001249592657 989324204 /nfs/dbraw/zinc/32/42/04/989324204.db2.gz PRVYPUQQMWUOER-SECBINFHSA-N 1 2 226.345 1.918 20 0 BDADLO CC(C)c1nnc(NC(=O)c2ccc(C[NH3+])o2)[nH]1 ZINC001326061491 989354083 /nfs/dbraw/zinc/35/40/83/989354083.db2.gz CTOHRQWHZYXNDB-UHFFFAOYSA-N 1 2 249.274 1.232 20 0 BDADLO CC(C)c1n[nH]c(NC(=O)c2ccc(C[NH3+])o2)n1 ZINC001326061491 989354092 /nfs/dbraw/zinc/35/40/92/989354092.db2.gz CTOHRQWHZYXNDB-UHFFFAOYSA-N 1 2 249.274 1.232 20 0 BDADLO CN(CC(F)F)C(=O)CCc1[nH+]ccn1C ZINC001519348617 989399510 /nfs/dbraw/zinc/39/95/10/989399510.db2.gz SIAKBHRZIBHKPH-UHFFFAOYSA-N 1 2 231.246 1.076 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC12CCCC2 ZINC001520263415 989535203 /nfs/dbraw/zinc/53/52/03/989535203.db2.gz AGZSOQXGMSZYLI-UHFFFAOYSA-N 1 2 247.342 1.898 20 0 BDADLO CC(C)[C@@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC001120035480 989569771 /nfs/dbraw/zinc/56/97/71/989569771.db2.gz XAJZTDUCINQDSP-LBPRGKRZSA-N 1 2 246.314 1.591 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001120086170 989593542 /nfs/dbraw/zinc/59/35/42/989593542.db2.gz SDMFBDOEPYQWSZ-GARJFASQSA-N 1 2 237.303 1.080 20 0 BDADLO CS[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001521273192 989664376 /nfs/dbraw/zinc/66/43/76/989664376.db2.gz YMINYQKYBSUEPG-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO CNc1cc(CNC(=O)N[C@@H](C)C2CC2)cc[nH+]1 ZINC001521343176 989687378 /nfs/dbraw/zinc/68/73/78/989687378.db2.gz YNCMTXDRGSVTLB-VIFPVBQESA-N 1 2 248.330 1.721 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C(F)F ZINC001120549950 989716669 /nfs/dbraw/zinc/71/66/69/989716669.db2.gz TWDGRABXRXSCKV-QMMMGPOBSA-N 1 2 229.230 1.139 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]([NH3+])C(F)F)ccc1N ZINC001521511498 989718191 /nfs/dbraw/zinc/71/81/91/989718191.db2.gz BGPPFSHQKTTZAB-SECBINFHSA-N 1 2 243.257 1.498 20 0 BDADLO Cc1nn(C)cc1NC(=O)CCc1[nH+]ccn1C ZINC001521722013 989783200 /nfs/dbraw/zinc/78/32/00/989783200.db2.gz NHOMUCMYYUUGPB-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccns1 ZINC001120765527 989870629 /nfs/dbraw/zinc/87/06/29/989870629.db2.gz FCGURQKMWKOUTL-DTORHVGOSA-N 1 2 237.328 1.062 20 0 BDADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccns1 ZINC001120765527 989870630 /nfs/dbraw/zinc/87/06/30/989870630.db2.gz FCGURQKMWKOUTL-DTORHVGOSA-N 1 2 237.328 1.062 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1(C)CC1 ZINC001120805944 989891604 /nfs/dbraw/zinc/89/16/04/989891604.db2.gz ORVXAQUTHKKTEY-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO CCc1ccc(N2CC(=O)N(C)C[C@@H]2C)[nH+]c1 ZINC001120838048 989915581 /nfs/dbraw/zinc/91/55/81/989915581.db2.gz CFOVWPZDBJESMK-JTQLQIEISA-N 1 2 233.315 1.311 20 0 BDADLO Cc1cc(F)cc(N(C)Cc2cn(C)nn2)[nH+]1 ZINC001120861618 989931756 /nfs/dbraw/zinc/93/17/56/989931756.db2.gz DYSHJOPDBFILSD-UHFFFAOYSA-N 1 2 235.266 1.294 20 0 BDADLO Nc1cc(N[C@@H]2CCCc3cccnc32)[nH+]cn1 ZINC001120876882 989942637 /nfs/dbraw/zinc/94/26/37/989942637.db2.gz PEMZNDCYQCJANZ-SNVBAGLBSA-N 1 2 241.298 1.943 20 0 BDADLO Cc1[nH]c(CNc2ncc(C=O)cn2)[nH+]c1C ZINC001120959844 989992053 /nfs/dbraw/zinc/99/20/53/989992053.db2.gz OFPSDVIFTIXHIA-UHFFFAOYSA-N 1 2 231.259 1.241 20 0 BDADLO CC[C@@H](F)C(=O)OCCn1cc[nH+]c1 ZINC001525469121 990052604 /nfs/dbraw/zinc/05/26/04/990052604.db2.gz UUPHDKBNQDFDFG-MRVPVSSYSA-N 1 2 200.213 1.174 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1C[C@H](C)CO1 ZINC001527011298 990198622 /nfs/dbraw/zinc/19/86/22/990198622.db2.gz ARNYOGZOOGCDAU-ONGXEEELSA-N 1 2 238.287 1.371 20 0 BDADLO CCn1c[nH+]cc1COC(=O)Cc1cc(C)on1 ZINC001527012687 990199608 /nfs/dbraw/zinc/19/96/08/990199608.db2.gz XCICIWIFGJPFNK-UHFFFAOYSA-N 1 2 249.270 1.485 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(F)cn1 ZINC001527468665 990226595 /nfs/dbraw/zinc/22/65/95/990226595.db2.gz VNYVCGXIAXMPPU-UHFFFAOYSA-N 1 2 248.261 1.526 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CC(F)(F)C1 ZINC001528307442 990282890 /nfs/dbraw/zinc/28/28/90/990282890.db2.gz GBVWBAUVMUCEDY-UHFFFAOYSA-N 1 2 243.257 1.267 20 0 BDADLO Cc1conc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001535115179 990463181 /nfs/dbraw/zinc/46/31/81/990463181.db2.gz DUFDGMQXKMSLAF-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1cnc(C(=O)Nc2c(C)c[nH+]cc2C)cn1 ZINC001537603859 990506790 /nfs/dbraw/zinc/50/67/90/990506790.db2.gz MPRVQMPOCJAUNN-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001537692804 990508725 /nfs/dbraw/zinc/50/87/25/990508725.db2.gz ARELFIVRKRXFRJ-WDEREUQCSA-N 1 2 245.326 1.536 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2F)[nH+]c1C ZINC001123657244 990638661 /nfs/dbraw/zinc/63/86/61/990638661.db2.gz HUMJOHITOLFAHC-YUMQZZPRSA-N 1 2 211.240 1.001 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2F)[nH+]c1C ZINC001123657241 990639953 /nfs/dbraw/zinc/63/99/53/990639953.db2.gz HUMJOHITOLFAHC-HTQZYQBOSA-N 1 2 211.240 1.001 20 0 BDADLO CNc1cc(CNC(=O)N2CC[C@H](C)C2)cc[nH+]1 ZINC001123795817 990671278 /nfs/dbraw/zinc/67/12/78/990671278.db2.gz SVZGMKPJJZUKHO-JTQLQIEISA-N 1 2 248.330 1.675 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1OC2CCC1CC2 ZINC001123867839 990686910 /nfs/dbraw/zinc/68/69/10/990686910.db2.gz FJMBIXIMVPFGNK-UHFFFAOYSA-N 1 2 249.314 1.438 20 0 BDADLO Cc1ccoc1CNC(=O)CCc1[nH+]ccn1C ZINC001123885329 990692242 /nfs/dbraw/zinc/69/22/42/990692242.db2.gz FLCVDBJJNYKQCH-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC001543789305 990704485 /nfs/dbraw/zinc/70/44/85/990704485.db2.gz OLKYYCLCVXDFJJ-KOLCDFICSA-N 1 2 249.314 1.074 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccc(F)c(O)c1 ZINC001543797910 990704607 /nfs/dbraw/zinc/70/46/07/990704607.db2.gz MPTRRGQAYVQLCU-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO CC(C)=C(C)CC(=O)NCCc1[nH+]ccn1C ZINC001124015470 990734186 /nfs/dbraw/zinc/73/41/86/990734186.db2.gz YTYNHXHGIHWWFW-UHFFFAOYSA-N 1 2 235.331 1.825 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(F)(F)F ZINC001556259398 990816884 /nfs/dbraw/zinc/81/68/84/990816884.db2.gz XRUQKGNLVPPKEY-YUMQZZPRSA-N 1 2 249.236 1.901 20 0 BDADLO COc1cccc(C[N@H+](C)C2(C)COC2)n1 ZINC001137534312 990820737 /nfs/dbraw/zinc/82/07/37/990820737.db2.gz PPNBRMSMDNPCOK-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[N@@H+](C)C2(C)COC2)n1 ZINC001137534312 990820740 /nfs/dbraw/zinc/82/07/40/990820740.db2.gz PPNBRMSMDNPCOK-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO Cc1cccc(N(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC000828013338 990821808 /nfs/dbraw/zinc/82/18/08/990821808.db2.gz AJOWXAKMSNINQT-UHFFFAOYSA-N 1 2 230.271 1.319 20 0 BDADLO COc1ccc(O)c(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001137933952 990870714 /nfs/dbraw/zinc/87/07/14/990870714.db2.gz BGBWDCQZRHVZLS-UHFFFAOYSA-N 1 2 247.254 1.305 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c2nccnc2c1 ZINC001138306549 990911271 /nfs/dbraw/zinc/91/12/71/990911271.db2.gz YAANBGIQERVYIZ-TXEJJXNPSA-N 1 2 241.294 1.603 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c2nccnc2c1 ZINC001138306549 990911278 /nfs/dbraw/zinc/91/12/78/990911278.db2.gz YAANBGIQERVYIZ-TXEJJXNPSA-N 1 2 241.294 1.603 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)Nc3cn[nH]n3)ccn12 ZINC001138327143 990916631 /nfs/dbraw/zinc/91/66/31/990916631.db2.gz UGFUCZFLUQMMKV-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(O)cc(O)c1)C2 ZINC001138330852 990922255 /nfs/dbraw/zinc/92/22/55/990922255.db2.gz BBCAIQNTVNKVOZ-FZMZJTMJSA-N 1 2 249.310 1.851 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(O)cc(O)c1)C2 ZINC001138330852 990922263 /nfs/dbraw/zinc/92/22/63/990922263.db2.gz BBCAIQNTVNKVOZ-FZMZJTMJSA-N 1 2 249.310 1.851 20 0 BDADLO Cc1ccc2[nH]c(C[N@@H+]3C[C@@H](O)[C@@H](F)C3)cc2c1 ZINC001138419502 990945418 /nfs/dbraw/zinc/94/54/18/990945418.db2.gz TYFZBOAODCKHEA-GXTWGEPZSA-N 1 2 248.301 1.991 20 0 BDADLO Cc1ccc2[nH]c(C[N@H+]3C[C@@H](O)[C@@H](F)C3)cc2c1 ZINC001138419502 990945424 /nfs/dbraw/zinc/94/54/24/990945424.db2.gz TYFZBOAODCKHEA-GXTWGEPZSA-N 1 2 248.301 1.991 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H](C)C(C)C)c[nH+]1 ZINC001558497705 990953217 /nfs/dbraw/zinc/95/32/17/990953217.db2.gz ZVNZANHKOWGXJV-VIFPVBQESA-N 1 2 223.320 1.880 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H](C)C(C)C)[nH+]1 ZINC001558497705 990953224 /nfs/dbraw/zinc/95/32/24/990953224.db2.gz ZVNZANHKOWGXJV-VIFPVBQESA-N 1 2 223.320 1.880 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001138488056 990960710 /nfs/dbraw/zinc/96/07/10/990960710.db2.gz RYKKGCYVFJTZJI-STQMWFEESA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001138488056 990960716 /nfs/dbraw/zinc/96/07/16/990960716.db2.gz RYKKGCYVFJTZJI-STQMWFEESA-N 1 2 233.311 1.977 20 0 BDADLO CC1(O)C[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001138610924 990979032 /nfs/dbraw/zinc/97/90/32/990979032.db2.gz YCXSXWJXXDNERL-UHFFFAOYSA-N 1 2 246.354 1.853 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC001258078892 990980742 /nfs/dbraw/zinc/98/07/42/990980742.db2.gz HXUJMRKIFWGTCG-WDEREUQCSA-N 1 2 229.320 1.245 20 0 BDADLO c1cc2cc(C[NH+]3CC4(C3)CCCO4)cnc2[nH]1 ZINC001138736719 991023388 /nfs/dbraw/zinc/02/33/88/991023388.db2.gz BFTIDEZOBLBSFF-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO Cc1ncncc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001559042498 991024161 /nfs/dbraw/zinc/02/41/61/991024161.db2.gz ZHUSXMQBNJKGAG-LLVKDONJSA-N 1 2 248.330 1.596 20 0 BDADLO Cc1ncncc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001559042498 991024171 /nfs/dbraw/zinc/02/41/71/991024171.db2.gz ZHUSXMQBNJKGAG-LLVKDONJSA-N 1 2 248.330 1.596 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccnc2F)CC[C@@H]1F ZINC001138783115 991038361 /nfs/dbraw/zinc/03/83/61/991038361.db2.gz LMGYPPLQTQQSIN-VHSXEESVSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccnc2F)CC[C@@H]1F ZINC001138783115 991038367 /nfs/dbraw/zinc/03/83/67/991038367.db2.gz LMGYPPLQTQQSIN-VHSXEESVSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccnc2F)CC[C@@H]1F ZINC001138783113 991041541 /nfs/dbraw/zinc/04/15/41/991041541.db2.gz LMGYPPLQTQQSIN-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccnc2F)CC[C@@H]1F ZINC001138783113 991041549 /nfs/dbraw/zinc/04/15/49/991041549.db2.gz LMGYPPLQTQQSIN-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO Fc1cccc(C=CC[NH2+]Cc2nnc[nH]2)c1 ZINC001308558517 991041698 /nfs/dbraw/zinc/04/16/98/991041698.db2.gz MCZFYOALPNZOPX-DUXPYHPUSA-N 1 2 232.262 1.747 20 0 BDADLO CC[N@H+](Cc1cccc2ccnn21)C1CN(C)C1 ZINC001138805858 991062141 /nfs/dbraw/zinc/06/21/41/991062141.db2.gz DELMNPNYAKEKKC-UHFFFAOYSA-N 1 2 244.342 1.470 20 0 BDADLO CC[N@@H+](Cc1cccc2ccnn21)C1CN(C)C1 ZINC001138805858 991062151 /nfs/dbraw/zinc/06/21/51/991062151.db2.gz DELMNPNYAKEKKC-UHFFFAOYSA-N 1 2 244.342 1.470 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cccc3ccnn32)C1 ZINC001138804531 991065228 /nfs/dbraw/zinc/06/52/28/991065228.db2.gz MUCCZMWEIUZMFJ-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cccc3ccnn32)C1 ZINC001138804531 991065235 /nfs/dbraw/zinc/06/52/35/991065235.db2.gz MUCCZMWEIUZMFJ-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO Cc1cc(C[N@H+](C)C2CC(F)(F)C2)nn1C ZINC001138826746 991078561 /nfs/dbraw/zinc/07/85/61/991078561.db2.gz UAUDFUNKAOSVKP-UHFFFAOYSA-N 1 2 229.274 1.958 20 0 BDADLO Cc1cc(C[N@@H+](C)C2CC(F)(F)C2)nn1C ZINC001138826746 991078571 /nfs/dbraw/zinc/07/85/71/991078571.db2.gz UAUDFUNKAOSVKP-UHFFFAOYSA-N 1 2 229.274 1.958 20 0 BDADLO CC1(C[NH3+])C[NH+](Cc2ccc([S-])cc2)C1 ZINC001206729684 991092013 /nfs/dbraw/zinc/09/20/13/991092013.db2.gz GZLWEUMVEAQRPD-UHFFFAOYSA-N 1 2 222.357 1.756 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001138940231 991109562 /nfs/dbraw/zinc/10/95/62/991109562.db2.gz CGMDCBVBJBQUNL-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001138940231 991109581 /nfs/dbraw/zinc/10/95/81/991109581.db2.gz CGMDCBVBJBQUNL-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001138938474 991110948 /nfs/dbraw/zinc/11/09/48/991110948.db2.gz QKRVPJQEOZGAGX-SNVBAGLBSA-N 1 2 207.277 1.129 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001138938474 991110951 /nfs/dbraw/zinc/11/09/51/991110951.db2.gz QKRVPJQEOZGAGX-SNVBAGLBSA-N 1 2 207.277 1.129 20 0 BDADLO CCc1cn(Cc2ncnn2CCF)c[nH+]1 ZINC001559466595 991112044 /nfs/dbraw/zinc/11/20/44/991112044.db2.gz XPZMKTYXUUXKNZ-UHFFFAOYSA-N 1 2 223.255 1.055 20 0 BDADLO CCc1cn(Cc2ccnc(OC)c2)c[nH+]1 ZINC001559466443 991112153 /nfs/dbraw/zinc/11/21/53/991112153.db2.gz UXJQWIOQRQXESC-UHFFFAOYSA-N 1 2 217.272 1.897 20 0 BDADLO C[C@]1(C[NH+]2CC(OCC(F)F)C2)CCCCO1 ZINC001308807878 991147987 /nfs/dbraw/zinc/14/79/87/991147987.db2.gz AQXYFRKDFZVMMW-GFCCVEGCSA-N 1 2 249.301 1.912 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)n(C)n1 ZINC001139099294 991148414 /nfs/dbraw/zinc/14/84/14/991148414.db2.gz RHIMBWVOXNPRAA-UHFFFAOYSA-N 1 2 247.346 1.700 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)n(C)n1 ZINC001139099294 991148421 /nfs/dbraw/zinc/14/84/21/991148421.db2.gz RHIMBWVOXNPRAA-UHFFFAOYSA-N 1 2 247.346 1.700 20 0 BDADLO Cn1cc2c(n1)CC[N@@H+](Cc1cnc(N)s1)C2 ZINC001139228081 991193229 /nfs/dbraw/zinc/19/32/29/991193229.db2.gz UFUSEDCUVJKLFS-UHFFFAOYSA-N 1 2 249.343 1.017 20 0 BDADLO Cn1cc2c(n1)CC[N@H+](Cc1cnc(N)s1)C2 ZINC001139228081 991193232 /nfs/dbraw/zinc/19/32/32/991193232.db2.gz UFUSEDCUVJKLFS-UHFFFAOYSA-N 1 2 249.343 1.017 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1)C(F)F ZINC001308914055 991217225 /nfs/dbraw/zinc/21/72/25/991217225.db2.gz JQUNJHYJLIHFPX-FXQIFTODSA-N 1 2 241.303 1.053 20 0 BDADLO CC[C@H](C[NH2+][C@@H](C)c1noc(C)n1)OC ZINC001559731392 991235178 /nfs/dbraw/zinc/23/51/78/991235178.db2.gz KFWVHXOYEUPXDM-IONNQARKSA-N 1 2 213.281 1.454 20 0 BDADLO Nc1ncnc(Cl)c1C[N@@H+]1CCC2(CC2)C1 ZINC001139437498 991241685 /nfs/dbraw/zinc/24/16/85/991241685.db2.gz TUVUZADETDDHLA-UHFFFAOYSA-N 1 2 238.722 1.698 20 0 BDADLO Nc1ncnc(Cl)c1C[N@H+]1CCC2(CC2)C1 ZINC001139437498 991241691 /nfs/dbraw/zinc/24/16/91/991241691.db2.gz TUVUZADETDDHLA-UHFFFAOYSA-N 1 2 238.722 1.698 20 0 BDADLO Nc1ncnc(Cl)c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001139442967 991242120 /nfs/dbraw/zinc/24/21/20/991242120.db2.gz UTXCHTVZIIVLGZ-IONNQARKSA-N 1 2 238.722 1.697 20 0 BDADLO Nc1ncnc(Cl)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001139442967 991242129 /nfs/dbraw/zinc/24/21/29/991242129.db2.gz UTXCHTVZIIVLGZ-IONNQARKSA-N 1 2 238.722 1.697 20 0 BDADLO CC[N@H+](Cc1ccc(=O)[nH]c1)[C@@H](C)C(=O)OC ZINC001139470344 991256103 /nfs/dbraw/zinc/25/61/03/991256103.db2.gz QRMMPBOHFABCHM-VIFPVBQESA-N 1 2 238.287 1.171 20 0 BDADLO CC[N@@H+](Cc1ccc(=O)[nH]c1)[C@@H](C)C(=O)OC ZINC001139470344 991256116 /nfs/dbraw/zinc/25/61/16/991256116.db2.gz QRMMPBOHFABCHM-VIFPVBQESA-N 1 2 238.287 1.171 20 0 BDADLO Clc1ccnc(C[NH+]2CC3(C2)CCOC3)c1 ZINC001139559640 991272231 /nfs/dbraw/zinc/27/22/31/991272231.db2.gz LMEFZCKGYWZBSQ-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)[C@@H](CC)CO ZINC001559872972 991303324 /nfs/dbraw/zinc/30/33/24/991303324.db2.gz HWLJHQNGJYNKOY-NSHDSACASA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H](CC)CO ZINC001559872972 991303335 /nfs/dbraw/zinc/30/33/35/991303335.db2.gz HWLJHQNGJYNKOY-NSHDSACASA-N 1 2 240.351 1.199 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CC(=O)NC[C@H]1C ZINC001139714810 991343411 /nfs/dbraw/zinc/34/34/11/991343411.db2.gz MCXHIMCNFAMFLF-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CC(=O)NC[C@H]1C ZINC001139714810 991343420 /nfs/dbraw/zinc/34/34/20/991343420.db2.gz MCXHIMCNFAMFLF-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ccc(F)cc21 ZINC001139767402 991360633 /nfs/dbraw/zinc/36/06/33/991360633.db2.gz XGWNHYLDTDVQFV-UHFFFAOYSA-N 1 2 245.257 1.681 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1csnc1OC ZINC001560173519 991402777 /nfs/dbraw/zinc/40/27/77/991402777.db2.gz JFGVMUXKKSADMN-QMMMGPOBSA-N 1 2 230.333 1.618 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1csnc1OC ZINC001560173519 991402788 /nfs/dbraw/zinc/40/27/88/991402788.db2.gz JFGVMUXKKSADMN-QMMMGPOBSA-N 1 2 230.333 1.618 20 0 BDADLO Cn1c(C[NH+]2CC(O)C2)cc2ccccc21 ZINC001139868102 991407334 /nfs/dbraw/zinc/40/73/34/991407334.db2.gz IHSLSXCBUSQXCO-UHFFFAOYSA-N 1 2 216.284 1.355 20 0 BDADLO C[C@H](CC1CC1)N1CC[NH2+]CC(F)(F)C1 ZINC001258465002 991423091 /nfs/dbraw/zinc/42/30/91/991423091.db2.gz MQEVBDXREHPZIO-SECBINFHSA-N 1 2 218.291 1.716 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C(C)C ZINC001560241264 991437326 /nfs/dbraw/zinc/43/73/26/991437326.db2.gz DOYXBRRQFZBQKR-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(C)nc2)C1 ZINC001139932905 991421821 /nfs/dbraw/zinc/42/18/21/991421821.db2.gz YDOPXUDKOSIOQN-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)CC2CC2)no1 ZINC001258466043 991424187 /nfs/dbraw/zinc/42/41/87/991424187.db2.gz SSKIPZAZUDOMJD-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)CC2CC2)no1 ZINC001258466043 991424191 /nfs/dbraw/zinc/42/41/91/991424191.db2.gz SSKIPZAZUDOMJD-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO Cn1ncc2cc(C[NH+]3CCC(=O)CC3)ccc21 ZINC001139948502 991428385 /nfs/dbraw/zinc/42/83/85/991428385.db2.gz GLTWMXUZTAOJLU-UHFFFAOYSA-N 1 2 243.310 1.738 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnn2)CCCC1=O ZINC001139970577 991438631 /nfs/dbraw/zinc/43/86/31/991438631.db2.gz XPUZBNCRFLTTNC-SNVBAGLBSA-N 1 2 219.288 1.278 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnn2)CCCC1=O ZINC001139970577 991438636 /nfs/dbraw/zinc/43/86/36/991438636.db2.gz XPUZBNCRFLTTNC-SNVBAGLBSA-N 1 2 219.288 1.278 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC001258474507 991447470 /nfs/dbraw/zinc/44/74/70/991447470.db2.gz TZRCAKPQGHQFBV-ZJUUUORDSA-N 1 2 245.319 1.259 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1ccnnc1)C2 ZINC001139981406 991452842 /nfs/dbraw/zinc/45/28/42/991452842.db2.gz HZHZGYIAIXRLQN-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1ccnnc1)C2 ZINC001139981406 991452845 /nfs/dbraw/zinc/45/28/45/991452845.db2.gz HZHZGYIAIXRLQN-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139992327 991466773 /nfs/dbraw/zinc/46/67/73/991466773.db2.gz FLTIZBBXTWRURB-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cnc(Cl)nc1 ZINC001139992327 991466777 /nfs/dbraw/zinc/46/67/77/991466777.db2.gz FLTIZBBXTWRURB-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc3ccccc3cn2)C[C@@H]1F ZINC001139996047 991475135 /nfs/dbraw/zinc/47/51/35/991475135.db2.gz VUDGHBHNFJATKX-UONOGXRCSA-N 1 2 246.285 1.749 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc3ccccc3cn2)C[C@@H]1F ZINC001139996047 991475146 /nfs/dbraw/zinc/47/51/46/991475146.db2.gz VUDGHBHNFJATKX-UONOGXRCSA-N 1 2 246.285 1.749 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1)Cc1nccnc1N ZINC001140008695 991478229 /nfs/dbraw/zinc/47/82/29/991478229.db2.gz ULDVXFMKBJKIQX-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1)Cc1nccnc1N ZINC001140008695 991478239 /nfs/dbraw/zinc/47/82/39/991478239.db2.gz ULDVXFMKBJKIQX-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO CC[C@H]1C[C@H](C[NH2+]Cc2ncn[nH]2)CCO1 ZINC001560626338 991527020 /nfs/dbraw/zinc/52/70/20/991527020.db2.gz KMKRYZIIQCGYTI-ZJUUUORDSA-N 1 2 224.308 1.100 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)c(C)cc1O ZINC001140197207 991555738 /nfs/dbraw/zinc/55/57/38/991555738.db2.gz KKJHLJBQQVZSFU-UHFFFAOYSA-N 1 2 248.326 1.283 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)c(C)cc1O ZINC001140197207 991555748 /nfs/dbraw/zinc/55/57/48/991555748.db2.gz KKJHLJBQQVZSFU-UHFFFAOYSA-N 1 2 248.326 1.283 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(C)cc1O ZINC001140197473 991559187 /nfs/dbraw/zinc/55/91/87/991559187.db2.gz PJMVOXZCMOJEHS-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)c(C)cc1O ZINC001140197473 991559198 /nfs/dbraw/zinc/55/91/98/991559198.db2.gz PJMVOXZCMOJEHS-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO COCC[N@H+](C)Cc1n[nH]c2ccc(C)cc21 ZINC001140327541 991604468 /nfs/dbraw/zinc/60/44/68/991604468.db2.gz BMGRXMAIMYJXHL-UHFFFAOYSA-N 1 2 233.315 1.950 20 0 BDADLO COCC[N@@H+](C)Cc1n[nH]c2ccc(C)cc21 ZINC001140327541 991604473 /nfs/dbraw/zinc/60/44/73/991604473.db2.gz BMGRXMAIMYJXHL-UHFFFAOYSA-N 1 2 233.315 1.950 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1ccncc1O ZINC001140282179 991604779 /nfs/dbraw/zinc/60/47/79/991604779.db2.gz PKDLTWSOVBKOHN-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1ccncc1O ZINC001140282179 991604784 /nfs/dbraw/zinc/60/47/84/991604784.db2.gz PKDLTWSOVBKOHN-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO Cc1occc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318108590 991623769 /nfs/dbraw/zinc/62/37/69/991623769.db2.gz URQXPLIKMMLYEG-VIFPVBQESA-N 1 2 233.271 1.662 20 0 BDADLO c1[nH]nc2ccc(C[NH+]3CCOCC3)cc12 ZINC001140382859 991626675 /nfs/dbraw/zinc/62/66/75/991626675.db2.gz SJEDPZNICGDZCQ-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO CCn1c[nH+]cc1CN[C@H](C)c1noc(C)n1 ZINC001560862042 991629021 /nfs/dbraw/zinc/62/90/21/991629021.db2.gz FEWPDWOKNHMXCQ-MRVPVSSYSA-N 1 2 235.291 1.445 20 0 BDADLO O=C(c1cocn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001318343077 991648725 /nfs/dbraw/zinc/64/87/25/991648725.db2.gz AMWBNPPFPSEQBH-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(O)C2)ccc1O ZINC001140574775 991676536 /nfs/dbraw/zinc/67/65/36/991676536.db2.gz QLIFHFUONCMNCJ-UHFFFAOYSA-N 1 2 207.273 1.267 20 0 BDADLO CCOC(=O)c1n[nH]c(C[NH2+]CCC(C)C)n1 ZINC001560991291 991681580 /nfs/dbraw/zinc/68/15/80/991681580.db2.gz GVRWNUFBASMHPS-UHFFFAOYSA-N 1 2 240.307 1.117 20 0 BDADLO Oc1ccc(C[NH2+][C@]23C[C@H]2COC3)c(F)c1F ZINC001561009777 991685688 /nfs/dbraw/zinc/68/56/88/991685688.db2.gz CMIUNLULPUVNFX-UFBFGSQYSA-N 1 2 241.237 1.549 20 0 BDADLO Cc1nc(C(C)(C)NCc2c[nH+]cn2C)no1 ZINC001318630536 991689210 /nfs/dbraw/zinc/68/92/10/991689210.db2.gz VVENFTSKGRMNGD-UHFFFAOYSA-N 1 2 235.291 1.136 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318618216 991689573 /nfs/dbraw/zinc/68/95/73/991689573.db2.gz SAVZZPGIQAIPSU-RKDXNWHRSA-N 1 2 227.333 1.312 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001563780473 991755739 /nfs/dbraw/zinc/75/57/39/991755739.db2.gz CTDGPJZAHQQLKL-WPRPVWTQSA-N 1 2 234.303 1.119 20 0 BDADLO Cc1ncc(NC(=O)[C@@H](C)n2cc[nH+]c2)s1 ZINC001319419416 991860154 /nfs/dbraw/zinc/86/01/54/991860154.db2.gz HEQPOOKPYSDSIJ-SSDOTTSWSA-N 1 2 236.300 1.848 20 0 BDADLO Cc1ncc(NC(=O)[C@H](C)n2cc[nH+]c2)s1 ZINC001319419417 991861838 /nfs/dbraw/zinc/86/18/38/991861838.db2.gz HEQPOOKPYSDSIJ-ZETCQYMHSA-N 1 2 236.300 1.848 20 0 BDADLO O=S(=O)(Nc1cccc2[nH+]ccn21)C1CC1 ZINC001259269474 991921656 /nfs/dbraw/zinc/92/16/56/991921656.db2.gz BWJSIHZNBUOXJS-UHFFFAOYSA-N 1 2 237.284 1.238 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n[nH]2)C[C@H](C)O1 ZINC001319700032 991938146 /nfs/dbraw/zinc/93/81/46/991938146.db2.gz IPDWDSUSXAYAQM-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n[nH]2)C[C@H](C)O1 ZINC001319700032 991938155 /nfs/dbraw/zinc/93/81/55/991938155.db2.gz IPDWDSUSXAYAQM-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO COC(=O)CC[N@H+](Cc1cc(C)[nH]n1)C(C)C ZINC001319707179 991945114 /nfs/dbraw/zinc/94/51/14/991945114.db2.gz KPPADBTXAIGRDO-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO COC(=O)CC[N@@H+](Cc1cc(C)[nH]n1)C(C)C ZINC001319707179 991945124 /nfs/dbraw/zinc/94/51/24/991945124.db2.gz KPPADBTXAIGRDO-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO CCC[N@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001319799270 991986043 /nfs/dbraw/zinc/98/60/43/991986043.db2.gz XFNAXGOVXALGPD-UHFFFAOYSA-N 1 2 231.727 1.924 20 0 BDADLO CCC[N@@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001319799270 991986064 /nfs/dbraw/zinc/98/60/64/991986064.db2.gz XFNAXGOVXALGPD-UHFFFAOYSA-N 1 2 231.727 1.924 20 0 BDADLO CC(C)CS(=O)(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001259889902 992012415 /nfs/dbraw/zinc/01/24/15/992012415.db2.gz NYINSPQXRYBGDR-UHFFFAOYSA-N 1 2 248.392 1.045 20 0 BDADLO CC[C@](C)(CCO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319892885 992021834 /nfs/dbraw/zinc/02/18/34/992021834.db2.gz CKCNAIQOEPQQLK-CMPLNLGQSA-N 1 2 239.319 1.111 20 0 BDADLO CCN(CC(F)F)C(=O)[C@H]1CC[N@@H+]1CC ZINC001567417037 992034545 /nfs/dbraw/zinc/03/45/45/992034545.db2.gz HMAIBYNOWWMNHR-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CCN(CC(F)F)C(=O)[C@H]1CC[N@H+]1CC ZINC001567417037 992034556 /nfs/dbraw/zinc/03/45/56/992034556.db2.gz HMAIBYNOWWMNHR-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1cc(C)n[nH]1 ZINC001320062030 992090541 /nfs/dbraw/zinc/09/05/41/992090541.db2.gz VZUVFJFBAVMGJF-UHFFFAOYSA-N 1 2 238.335 1.196 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1cc(C)n[nH]1 ZINC001320062030 992090550 /nfs/dbraw/zinc/09/05/50/992090550.db2.gz VZUVFJFBAVMGJF-UHFFFAOYSA-N 1 2 238.335 1.196 20 0 BDADLO CCC(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001567821943 992094723 /nfs/dbraw/zinc/09/47/23/992094723.db2.gz BWFYMWQAFOBONQ-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO COC[C@]1(C)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001261256128 992225830 /nfs/dbraw/zinc/22/58/30/992225830.db2.gz WULFAYCYAWBLSU-GFCCVEGCSA-N 1 2 223.320 1.577 20 0 BDADLO COC[C@]1(C)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001261256128 992225842 /nfs/dbraw/zinc/22/58/42/992225842.db2.gz WULFAYCYAWBLSU-GFCCVEGCSA-N 1 2 223.320 1.577 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1cc(C)[nH]n1 ZINC001320522573 992233281 /nfs/dbraw/zinc/23/32/81/992233281.db2.gz OHFZCHSTVWNBBX-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001320522573 992233300 /nfs/dbraw/zinc/23/33/00/992233300.db2.gz OHFZCHSTVWNBBX-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccco1)n1cc[nH+]c1 ZINC001261362497 992271638 /nfs/dbraw/zinc/27/16/38/992271638.db2.gz AOXUSQOYFAZNEA-GMTAPVOTSA-N 1 2 245.282 1.709 20 0 BDADLO C(C[NH+]1CCOCC1)S[C@@H]1CCSC1 ZINC001261594767 992416828 /nfs/dbraw/zinc/41/68/28/992416828.db2.gz WAYALPQAOMKKKG-SNVBAGLBSA-N 1 2 233.402 1.557 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cccn1C1CC1 ZINC001261693768 992465109 /nfs/dbraw/zinc/46/51/09/992465109.db2.gz YFBRMSOTQWZSKT-UHFFFAOYSA-N 1 2 221.304 1.001 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cccn1C1CC1 ZINC001261693768 992465115 /nfs/dbraw/zinc/46/51/15/992465115.db2.gz YFBRMSOTQWZSKT-UHFFFAOYSA-N 1 2 221.304 1.001 20 0 BDADLO CC(C)c1ocnc1C[N@H+](C)CCCO ZINC001321209167 992489993 /nfs/dbraw/zinc/48/99/93/992489993.db2.gz FZNTVBIXCNXCNU-UHFFFAOYSA-N 1 2 212.293 1.612 20 0 BDADLO CC(C)c1ocnc1C[N@@H+](C)CCCO ZINC001321209167 992489996 /nfs/dbraw/zinc/48/99/96/992489996.db2.gz FZNTVBIXCNXCNU-UHFFFAOYSA-N 1 2 212.293 1.612 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCOCC1 ZINC001321208345 992490257 /nfs/dbraw/zinc/49/02/57/992490257.db2.gz YALBRVVQPJWWQX-JTQLQIEISA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCOCC1 ZINC001321208345 992490263 /nfs/dbraw/zinc/49/02/63/992490263.db2.gz YALBRVVQPJWWQX-JTQLQIEISA-N 1 2 237.303 1.028 20 0 BDADLO CC1(CC(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC001261783170 992508053 /nfs/dbraw/zinc/50/80/53/992508053.db2.gz GKFMOGWUKJLXOI-SECBINFHSA-N 1 2 219.288 1.634 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001261877073 992553336 /nfs/dbraw/zinc/55/33/36/992553336.db2.gz XHJQZSJQTZPSQA-GWNIPJSYSA-N 1 2 245.326 1.517 20 0 BDADLO C[C@H](c1nc(-c2ccn(C)n2)no1)n1cc[nH+]c1 ZINC001261890370 992561934 /nfs/dbraw/zinc/56/19/34/992561934.db2.gz BRSNXRNJYWMIKE-MRVPVSSYSA-N 1 2 244.258 1.276 20 0 BDADLO COCc1cc(C[NH2+]Cc2c[nH]nc2C)no1 ZINC001262030709 992617819 /nfs/dbraw/zinc/61/78/19/992617819.db2.gz UAJMLMIEOYUTDA-UHFFFAOYSA-N 1 2 236.275 1.142 20 0 BDADLO CC[C@H](OC(=O)C[NH2+]C)c1ccc(OC)cc1 ZINC001573709084 992683700 /nfs/dbraw/zinc/68/37/00/992683700.db2.gz AXUQNCMPFRXUHV-LBPRGKRZSA-N 1 2 237.299 1.909 20 0 BDADLO Cc1nn(C)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001262127481 992689315 /nfs/dbraw/zinc/68/93/15/992689315.db2.gz GHWYEUVJNWKURK-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO C[C@H](C(=O)NCC=C(Cl)Cl)n1cc[nH+]c1 ZINC001262144186 992697553 /nfs/dbraw/zinc/69/75/53/992697553.db2.gz OHCLFNRUSBBHAG-SSDOTTSWSA-N 1 2 248.113 1.879 20 0 BDADLO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001262203486 992798608 /nfs/dbraw/zinc/79/86/08/992798608.db2.gz VEFXLPCOEHOLBS-ZYHUDNBSSA-N 1 2 249.362 1.825 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332921 992839294 /nfs/dbraw/zinc/83/92/94/992839294.db2.gz OXUXMLVUMJBMKA-NEPJUHHUSA-N 1 2 238.335 1.468 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332921 992839296 /nfs/dbraw/zinc/83/92/96/992839296.db2.gz OXUXMLVUMJBMKA-NEPJUHHUSA-N 1 2 238.335 1.468 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332922 992840105 /nfs/dbraw/zinc/84/01/05/992840105.db2.gz OXUXMLVUMJBMKA-NWDGAFQWSA-N 1 2 238.335 1.468 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332922 992840109 /nfs/dbraw/zinc/84/01/09/992840109.db2.gz OXUXMLVUMJBMKA-NWDGAFQWSA-N 1 2 238.335 1.468 20 0 BDADLO CNc1cc(NC/C=C/C2CC2)nc[nH+]1 ZINC001262365706 992861064 /nfs/dbraw/zinc/86/10/64/992861064.db2.gz KABJORXUHDYBLD-NSCUHMNNSA-N 1 2 204.277 1.896 20 0 BDADLO CNc1cc(NC/C=C/C2CC2)[nH+]cn1 ZINC001262365706 992861068 /nfs/dbraw/zinc/86/10/68/992861068.db2.gz KABJORXUHDYBLD-NSCUHMNNSA-N 1 2 204.277 1.896 20 0 BDADLO CCCN(CC(=O)NC)c1cc(F)cc(C)[nH+]1 ZINC001262684373 993024405 /nfs/dbraw/zinc/02/44/05/993024405.db2.gz RGERNLTXKJEZOI-UHFFFAOYSA-N 1 2 239.294 1.492 20 0 BDADLO [NH3+][C@@H](CC(=O)N1CCCC12CCC2)C(F)F ZINC001263198342 993160971 /nfs/dbraw/zinc/16/09/71/993160971.db2.gz VZSMUQDWBQSAOQ-QMMMGPOBSA-N 1 2 232.274 1.514 20 0 BDADLO COc1cc2[nH+]c(CCO)[nH]c2cc1C ZINC000586894922 993416026 /nfs/dbraw/zinc/41/60/26/993416026.db2.gz YPFBOVYVBMJCJP-UHFFFAOYSA-N 1 2 206.245 1.415 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH+]ccn2C)n[nH]1 ZINC001263709954 993473867 /nfs/dbraw/zinc/47/38/67/993473867.db2.gz ISQPNNYTKZPJGX-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO CCN(OC)C(=O)CCCn1cc[nH+]c1 ZINC001263920552 993602594 /nfs/dbraw/zinc/60/25/94/993602594.db2.gz LFNGRVSQCDITNT-UHFFFAOYSA-N 1 2 211.265 1.073 20 0 BDADLO Cc1ccc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC000700171430 993824258 /nfs/dbraw/zinc/82/42/58/993824258.db2.gz XSLNPCBTEIHKMX-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ccc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC000700171430 993824261 /nfs/dbraw/zinc/82/42/61/993824261.db2.gz XSLNPCBTEIHKMX-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)c2nccn21 ZINC000393055742 993897073 /nfs/dbraw/zinc/89/70/73/993897073.db2.gz MGRUDFLSPTWJLQ-ONGXEEELSA-N 1 2 248.330 1.005 20 0 BDADLO CCCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC000393216421 993915767 /nfs/dbraw/zinc/91/57/67/993915767.db2.gz LHKIMNWIXSHRQU-UHFFFAOYSA-N 1 2 239.319 1.297 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001316601351 994097756 /nfs/dbraw/zinc/09/77/56/994097756.db2.gz GCBPMKJCIWLJIC-NEPJUHHUSA-N 1 2 244.354 1.781 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001316601351 994097767 /nfs/dbraw/zinc/09/77/67/994097767.db2.gz GCBPMKJCIWLJIC-NEPJUHHUSA-N 1 2 244.354 1.781 20 0 BDADLO CCN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001291856112 994590249 /nfs/dbraw/zinc/59/02/49/994590249.db2.gz LMLSXXKUUQBKPF-UHFFFAOYSA-N 1 2 209.293 1.518 20 0 BDADLO C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593268177 994593781 /nfs/dbraw/zinc/59/37/81/994593781.db2.gz UFHLPVOOLBCNBG-BJDJZHNGSA-N 1 2 240.347 1.170 20 0 BDADLO C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593268177 994593791 /nfs/dbraw/zinc/59/37/91/994593791.db2.gz UFHLPVOOLBCNBG-BJDJZHNGSA-N 1 2 240.347 1.170 20 0 BDADLO C[NH2+]CC[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1C ZINC001598666733 994688824 /nfs/dbraw/zinc/68/88/24/994688824.db2.gz JRZVFPAEROXPDM-GFCCVEGCSA-N 1 2 236.315 1.272 20 0 BDADLO C[NH2+]CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1C ZINC001598666733 994688833 /nfs/dbraw/zinc/68/88/33/994688833.db2.gz JRZVFPAEROXPDM-GFCCVEGCSA-N 1 2 236.315 1.272 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC12CCC(CC1)C2 ZINC001295863523 994781795 /nfs/dbraw/zinc/78/17/95/994781795.db2.gz ZYVLYZQXWGCSTQ-UHFFFAOYSA-N 1 2 247.342 1.957 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1nccn1C ZINC001297228963 994859546 /nfs/dbraw/zinc/85/95/46/994859546.db2.gz WJNRYOSHMVVALY-UHFFFAOYSA-N 1 2 247.302 1.060 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@]12CCOC2 ZINC001337509730 995202484 /nfs/dbraw/zinc/20/24/84/995202484.db2.gz MLWKPGZGEPHLRX-RISCZKNCSA-N 1 2 246.310 1.485 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@H](C)CO1 ZINC001339100807 995252791 /nfs/dbraw/zinc/25/27/91/995252791.db2.gz AAAVZVBAMNQQHO-GZMMTYOYSA-N 1 2 234.299 1.484 20 0 BDADLO CCO[C@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001339103333 995254725 /nfs/dbraw/zinc/25/47/25/995254725.db2.gz OBIQTMDRMUHKSR-SNVBAGLBSA-N 1 2 222.288 1.484 20 0 BDADLO c1nnnn1CCSc1[nH+]cc2ccccn21 ZINC001307252514 995305166 /nfs/dbraw/zinc/30/51/66/995305166.db2.gz FZFHSVATWOMDKM-UHFFFAOYSA-N 1 2 246.299 1.113 20 0 BDADLO Cn1c[nH+]cc1CN1C(=O)c2ccccc2C1=O ZINC001307254909 995306227 /nfs/dbraw/zinc/30/62/27/995306227.db2.gz HKOLIMGQPOBZMO-UHFFFAOYSA-N 1 2 241.250 1.216 20 0 BDADLO CCCCCC[C@H](O)C[N@H+](C)CC(=O)OCC ZINC001307449001 995364459 /nfs/dbraw/zinc/36/44/59/995364459.db2.gz IQASTDQYADMKHI-LBPRGKRZSA-N 1 2 245.363 1.813 20 0 BDADLO CCCCCC[C@H](O)C[N@@H+](C)CC(=O)OCC ZINC001307449001 995364464 /nfs/dbraw/zinc/36/44/64/995364464.db2.gz IQASTDQYADMKHI-LBPRGKRZSA-N 1 2 245.363 1.813 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCc2cnccn2)[nH]1 ZINC001307634191 995423365 /nfs/dbraw/zinc/42/33/65/995423365.db2.gz CCRQJGMEOVBJNY-VIFPVBQESA-N 1 2 246.318 1.139 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCc2cnccn2)[nH]1 ZINC001307634191 995423373 /nfs/dbraw/zinc/42/33/73/995423373.db2.gz CCRQJGMEOVBJNY-VIFPVBQESA-N 1 2 246.318 1.139 20 0 BDADLO CC[C@H]([NH2+]CCn1cccn1)c1noc(C)n1 ZINC001307667272 995429699 /nfs/dbraw/zinc/42/96/99/995429699.db2.gz BDYWPHSMKMPDMS-JTQLQIEISA-N 1 2 235.291 1.315 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@](O)(C(F)F)C2)o1 ZINC001307780311 995459280 /nfs/dbraw/zinc/45/92/80/995459280.db2.gz QGABLROMEJDNOG-KCJUWKMLSA-N 1 2 246.257 1.746 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@](O)(C(F)F)C2)o1 ZINC001307780311 995459289 /nfs/dbraw/zinc/45/92/89/995459289.db2.gz QGABLROMEJDNOG-KCJUWKMLSA-N 1 2 246.257 1.746 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1ncccn1 ZINC001308035002 995531115 /nfs/dbraw/zinc/53/11/15/995531115.db2.gz GZIZYRXOZAGWDZ-UHFFFAOYSA-N 1 2 209.293 1.333 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1ncccn1 ZINC001308035002 995531120 /nfs/dbraw/zinc/53/11/20/995531120.db2.gz GZIZYRXOZAGWDZ-UHFFFAOYSA-N 1 2 209.293 1.333 20 0 BDADLO C[C@H]1C(=O)CCCN1Cc1cccc(N(C)C)[nH+]1 ZINC001308130410 995553798 /nfs/dbraw/zinc/55/37/98/995553798.db2.gz POPNSIVYEVBNOJ-NSHDSACASA-N 1 2 247.342 1.701 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CNC(=O)C1 ZINC001308154887 995573938 /nfs/dbraw/zinc/57/39/38/995573938.db2.gz VDYBTTMIMRIPIS-IUCAKERBSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CNC(=O)C1 ZINC001308154887 995573949 /nfs/dbraw/zinc/57/39/49/995573949.db2.gz VDYBTTMIMRIPIS-IUCAKERBSA-N 1 2 232.274 1.242 20 0 BDADLO CC(C)=CC[N@@H+]1CCn2c(C)nnc2[C@@H]1C ZINC001308178808 995592315 /nfs/dbraw/zinc/59/23/15/995592315.db2.gz ZXOIOQUIKYWOOI-JTQLQIEISA-N 1 2 220.320 1.929 20 0 BDADLO CC(C)=CC[N@H+]1CCn2c(C)nnc2[C@@H]1C ZINC001308178808 995592324 /nfs/dbraw/zinc/59/23/24/995592324.db2.gz ZXOIOQUIKYWOOI-JTQLQIEISA-N 1 2 220.320 1.929 20 0 BDADLO CCn1cc[nH+]c1CNc1nc(C)cc(OC)n1 ZINC000385144160 398136452 /nfs/dbraw/zinc/13/64/52/398136452.db2.gz CCETYLWZAMFGHD-UHFFFAOYSA-N 1 2 247.302 1.044 20 0 BDADLO Cc1cc(C=C2CC[NH+]([C@H](C)C(N)=O)CC2)no1 ZINC000368566531 177950737 /nfs/dbraw/zinc/95/07/37/177950737.db2.gz LRFWWHVVXMIJDP-SNVBAGLBSA-N 1 2 249.314 1.336 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320139 398143418 /nfs/dbraw/zinc/14/34/18/398143418.db2.gz FUIZQKGDOIDAGK-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320139 398143419 /nfs/dbraw/zinc/14/34/19/398143419.db2.gz FUIZQKGDOIDAGK-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000649864746 398146335 /nfs/dbraw/zinc/14/63/35/398146335.db2.gz IUGGAUULSRZHDV-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000649864746 398146337 /nfs/dbraw/zinc/14/63/37/398146337.db2.gz IUGGAUULSRZHDV-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CCC(CC)([NH2+]CCCC(=O)OC)C(=O)OC ZINC000338351611 168331536 /nfs/dbraw/zinc/33/15/36/168331536.db2.gz MTUHRUURDRGPPM-UHFFFAOYSA-N 1 2 245.319 1.261 20 0 BDADLO CCC(CC)(NCc1c[nH+]cn1C)C(=O)OC ZINC000338382037 168332465 /nfs/dbraw/zinc/33/24/65/168332465.db2.gz VACFXPDSFKOOFT-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO CSCC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408007052 398149380 /nfs/dbraw/zinc/14/93/80/398149380.db2.gz BHLJUMHTDRNBGK-QMMMGPOBSA-N 1 2 243.332 1.318 20 0 BDADLO CSCC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408007052 398149383 /nfs/dbraw/zinc/14/93/83/398149383.db2.gz BHLJUMHTDRNBGK-QMMMGPOBSA-N 1 2 243.332 1.318 20 0 BDADLO C[C@H]1CSCCN(c2cc(CO)cc[nH+]2)C1 ZINC000379492051 398149984 /nfs/dbraw/zinc/14/99/84/398149984.db2.gz IFFNBSOUSBEUMH-SNVBAGLBSA-N 1 2 238.356 1.763 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cs1 ZINC000309336808 178007726 /nfs/dbraw/zinc/00/77/26/178007726.db2.gz UJQFHTFEPVVGGP-BXKDBHETSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cs1 ZINC000309336808 178007728 /nfs/dbraw/zinc/00/77/28/178007728.db2.gz UJQFHTFEPVVGGP-BXKDBHETSA-N 1 2 241.356 1.638 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccnn1C ZINC000389945074 398153792 /nfs/dbraw/zinc/15/37/92/398153792.db2.gz PMOKMXZOSZHIJP-RQJHMYQMSA-N 1 2 203.236 1.724 20 0 BDADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccnn1C ZINC000389945072 398153864 /nfs/dbraw/zinc/15/38/64/398153864.db2.gz PMOKMXZOSZHIJP-RNFRBKRXSA-N 1 2 203.236 1.724 20 0 BDADLO Cc1cc(CNC(=O)N2CCCO2)cc(C)[nH+]1 ZINC000333787483 178012835 /nfs/dbraw/zinc/01/28/35/178012835.db2.gz VQBNVNWLYACDAD-UHFFFAOYSA-N 1 2 235.287 1.545 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnn2C)on1 ZINC000044986546 178026149 /nfs/dbraw/zinc/02/61/49/178026149.db2.gz GSSPTQZYMYMJSQ-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(O)c2)no1 ZINC000044692426 178027075 /nfs/dbraw/zinc/02/70/75/178027075.db2.gz KCXITRJTNZQXNL-UHFFFAOYSA-N 1 2 218.256 1.978 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnc(N(C)C)n2)no1 ZINC000361029458 178027860 /nfs/dbraw/zinc/02/78/60/178027860.db2.gz RAEFBIPKLQHASC-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@@H]1CC1CCC1 ZINC000339767402 398170228 /nfs/dbraw/zinc/17/02/28/398170228.db2.gz KDHHPXDMBPENHG-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@H](C)[C@H](C)O)no1 ZINC000519388942 398171189 /nfs/dbraw/zinc/17/11/89/398171189.db2.gz PIFYHJJMSDXNOZ-VGMNWLOBSA-N 1 2 243.307 1.026 20 0 BDADLO C[C@@H]([NH2+]C1COCCOC1)c1cscn1 ZINC000380076319 398183112 /nfs/dbraw/zinc/18/31/12/398183112.db2.gz FLNQYPNNIBMMFA-MRVPVSSYSA-N 1 2 228.317 1.209 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CCc1c[nH]nn1 ZINC000647956550 398171679 /nfs/dbraw/zinc/17/16/79/398171679.db2.gz YZIQSQKADXGXHL-SNVBAGLBSA-N 1 2 231.303 1.226 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CCc1c[nH]nn1 ZINC000647956550 398171682 /nfs/dbraw/zinc/17/16/82/398171682.db2.gz YZIQSQKADXGXHL-SNVBAGLBSA-N 1 2 231.303 1.226 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)no1 ZINC000352746031 178035799 /nfs/dbraw/zinc/03/57/99/178035799.db2.gz OAPKXIDEDJROPH-NOZJJQNGSA-N 1 2 235.331 1.555 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2ccco2)[nH]1 ZINC000162458169 538922600 /nfs/dbraw/zinc/92/26/00/538922600.db2.gz HFSGUXBTTOFIAS-QMMMGPOBSA-N 1 2 220.276 1.811 20 0 BDADLO C[NH+](Cc1nc(C2CC2)no1)C[C@@H]1CCCO1 ZINC000052102532 398187742 /nfs/dbraw/zinc/18/77/42/398187742.db2.gz MSDDJSFEXVAGCL-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO Cc1cc(N(C)CC(N)=O)c2cccc(F)c2[nH+]1 ZINC000302729244 178095975 /nfs/dbraw/zinc/09/59/75/178095975.db2.gz LEVYQDQXLXEGAB-UHFFFAOYSA-N 1 2 247.273 1.604 20 0 BDADLO Cc1cc(N)nc(S[C@@H]2CCCCC2=O)[nH+]1 ZINC000071858216 178108958 /nfs/dbraw/zinc/10/89/58/178108958.db2.gz JZXYGOVWMIPIFM-SECBINFHSA-N 1 2 237.328 1.971 20 0 BDADLO Cc1cc(N)nc(S[C@@H](C)[C@H](C)O)[nH+]1 ZINC000131984899 178109052 /nfs/dbraw/zinc/10/90/52/178109052.db2.gz GZILAOYRSWGGSI-BQBZGAKWSA-N 1 2 213.306 1.229 20 0 BDADLO Cc1nnc(CSc2nc(N)cc(C)[nH+]2)[nH]1 ZINC000291750365 178110041 /nfs/dbraw/zinc/11/00/41/178110041.db2.gz TXFYQEULEQHORJ-UHFFFAOYSA-N 1 2 236.304 1.086 20 0 BDADLO Cc1cc(N)nc(S[C@H]2CCOC2)[nH+]1 ZINC000148596669 178110320 /nfs/dbraw/zinc/11/03/20/178110320.db2.gz XEEGYNBBPULMDV-ZETCQYMHSA-N 1 2 211.290 1.248 20 0 BDADLO Cc1cc(N2CC3(C2)CCCOC3)nc[nH+]1 ZINC000340974995 178113466 /nfs/dbraw/zinc/11/34/66/178113466.db2.gz KNDIQNRRCQHGKQ-UHFFFAOYSA-N 1 2 219.288 1.402 20 0 BDADLO CC[N@H+](CCO)[C@H](C)c1nc(C(C)C)no1 ZINC000304233803 398185270 /nfs/dbraw/zinc/18/52/70/398185270.db2.gz JLJZLVREJPSCBX-SECBINFHSA-N 1 2 227.308 1.568 20 0 BDADLO CC[N@@H+](CCO)[C@H](C)c1nc(C(C)C)no1 ZINC000304233803 398185275 /nfs/dbraw/zinc/18/52/75/398185275.db2.gz JLJZLVREJPSCBX-SECBINFHSA-N 1 2 227.308 1.568 20 0 BDADLO Cc1cc(N2CCC[C@H]2CO)nc(C(C)C)[nH+]1 ZINC000042434640 178116857 /nfs/dbraw/zinc/11/68/57/178116857.db2.gz FFMYJVRNKAKGAM-NSHDSACASA-N 1 2 235.331 1.870 20 0 BDADLO Cc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc(C2CC2)[nH+]1 ZINC000180312483 178117972 /nfs/dbraw/zinc/11/79/72/178117972.db2.gz CBQVREKGIXGDPR-ZYHUDNBSSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000189872545 178119935 /nfs/dbraw/zinc/11/99/35/178119935.db2.gz CLSPFYZIPXPVII-CABZTGNLSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1cc(N2CC[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000265872690 178120104 /nfs/dbraw/zinc/12/01/04/178120104.db2.gz ZPYQPUSCLSCRKZ-JTQLQIEISA-N 1 2 233.315 1.481 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1nccs1 ZINC000162714544 538924507 /nfs/dbraw/zinc/92/45/07/538924507.db2.gz MCCGPNSDZGCFTO-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)no1 ZINC000289135624 178128171 /nfs/dbraw/zinc/12/81/71/178128171.db2.gz SZWHVLFMWMCVOQ-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]cn2C)n(C)n1 ZINC000331066819 178128685 /nfs/dbraw/zinc/12/86/85/178128685.db2.gz YPWIXBMFENQZOA-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO Cc1cc(NC(=O)COCC(F)(F)F)cc[nH+]1 ZINC000122351691 178132109 /nfs/dbraw/zinc/13/21/09/178132109.db2.gz IIGXGYRZKMHHPV-UHFFFAOYSA-N 1 2 248.204 1.907 20 0 BDADLO Cc1cc(NC(=O)N2CCC(CO)CC2)cc[nH+]1 ZINC000271098085 178136206 /nfs/dbraw/zinc/13/62/06/178136206.db2.gz XJIPCVRYFMWMLV-UHFFFAOYSA-N 1 2 249.314 1.626 20 0 BDADLO Cc1cc(NC(=O)N(C)CCCCO)cc[nH+]1 ZINC000276323439 178136243 /nfs/dbraw/zinc/13/62/43/178136243.db2.gz DQPCNVYZJFNPDQ-UHFFFAOYSA-N 1 2 237.303 1.626 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000573084689 398208403 /nfs/dbraw/zinc/20/84/03/398208403.db2.gz QNGLRBAWQUMHPQ-AAEUAGOBSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2nc[nH]n2)cc[nH+]1 ZINC000187666384 178136642 /nfs/dbraw/zinc/13/66/42/178136642.db2.gz JDXRCSQJFJWVAA-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO Cc1cc(NC(=O)N2CCSCC2)cc[nH+]1 ZINC000119873014 178136810 /nfs/dbraw/zinc/13/68/10/178136810.db2.gz MBDDSJVKUXRLRK-UHFFFAOYSA-N 1 2 237.328 1.971 20 0 BDADLO C[C@H]1OCC[C@]1(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576290716 365555250 /nfs/dbraw/zinc/55/52/50/365555250.db2.gz NWGSIXRVEOZGCB-MFKMUULPSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(NC(=O)NOCC(C)(C)O)cc[nH+]1 ZINC000278485496 178140307 /nfs/dbraw/zinc/14/03/07/178140307.db2.gz ALCOOGJBHDNHFO-UHFFFAOYSA-N 1 2 239.275 1.214 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)CCO)cc[nH+]1 ZINC000119913043 178140707 /nfs/dbraw/zinc/14/07/07/178140707.db2.gz SBIPITYHOVTCQM-QMMMGPOBSA-N 1 2 223.276 1.282 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H](O)C2(C)C)cc[nH+]1 ZINC000189256527 178141967 /nfs/dbraw/zinc/14/19/67/178141967.db2.gz MXRDSAPRYZGJFD-MNOVXSKESA-N 1 2 249.314 1.671 20 0 BDADLO Cc1cc(NC(=O)Nc2ccn(C)n2)cc[nH+]1 ZINC000120462197 178142469 /nfs/dbraw/zinc/14/24/69/178142469.db2.gz FPMDCIFPJYCJAR-UHFFFAOYSA-N 1 2 231.259 1.768 20 0 BDADLO Cc1cc(NC[C@@H](O)Cc2ccccc2)nc[nH+]1 ZINC000301300652 178164876 /nfs/dbraw/zinc/16/48/76/178164876.db2.gz ZSWQRBGFRJMZIP-ZDUSSCGKSA-N 1 2 243.310 1.801 20 0 BDADLO Cc1cc(NC(=O)c2cc3n(n2)CCC3)cc[nH+]1 ZINC000294982420 178150482 /nfs/dbraw/zinc/15/04/82/178150482.db2.gz SKCUQIZLVUXLSE-UHFFFAOYSA-N 1 2 242.282 1.785 20 0 BDADLO F[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000649420341 398219600 /nfs/dbraw/zinc/21/96/00/398219600.db2.gz UBJHLODMBPGIKH-SECBINFHSA-N 1 2 233.250 1.211 20 0 BDADLO Cc1cc(NCC(=O)NC2CC2)nc(C2CC2)[nH+]1 ZINC000265369576 178154629 /nfs/dbraw/zinc/15/46/29/178154629.db2.gz OGOPLEVNIZEQPT-UHFFFAOYSA-N 1 2 246.314 1.353 20 0 BDADLO Cc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000041050992 178164995 /nfs/dbraw/zinc/16/49/95/178164995.db2.gz FZNMEXIFEQQQTI-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO Cc1cc(NCC2([S@@](C)=O)CCC2)nc[nH+]1 ZINC000309840992 178156220 /nfs/dbraw/zinc/15/62/20/178156220.db2.gz DCSDELZWGCWXKN-MRXNPFEDSA-N 1 2 239.344 1.498 20 0 BDADLO Cc1cc(NC[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000120438845 178166048 /nfs/dbraw/zinc/16/60/48/178166048.db2.gz CSNCGCLOCCUHHN-MRVPVSSYSA-N 1 2 207.277 1.455 20 0 BDADLO Cc1cc(NC[C@@](C)(O)C(C)C)nc[nH+]1 ZINC000301226047 178167732 /nfs/dbraw/zinc/16/77/32/178167732.db2.gz FYUJQECPXKFLBJ-LLVKDONJSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NC[C@H](O)Cc2ccccc2)nc[nH+]1 ZINC000301300650 178168545 /nfs/dbraw/zinc/16/85/45/178168545.db2.gz ZSWQRBGFRJMZIP-CYBMUJFWSA-N 1 2 243.310 1.801 20 0 BDADLO Cc1cc(NCc2ccc(N)[nH+]c2)ncn1 ZINC000302744349 178173045 /nfs/dbraw/zinc/17/30/45/178173045.db2.gz DZXYGFAAEDSYSX-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(F)(F)F ZINC000584241127 398221144 /nfs/dbraw/zinc/22/11/44/398221144.db2.gz CMDMGQFLQXMYKP-RQJHMYQMSA-N 1 2 249.236 1.655 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(F)(F)F ZINC000584241127 398221145 /nfs/dbraw/zinc/22/11/45/398221145.db2.gz CMDMGQFLQXMYKP-RQJHMYQMSA-N 1 2 249.236 1.655 20 0 BDADLO Cc1cc(NCc2ccnn2C)nc[nH+]1 ZINC000070905383 178175735 /nfs/dbraw/zinc/17/57/35/178175735.db2.gz QECAVWKJYVTOQH-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1cc(NCc2nccs2)nc[nH+]1 ZINC000041013140 178176189 /nfs/dbraw/zinc/17/61/89/178176189.db2.gz NABACEJOYTZQBP-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000336767045 398222525 /nfs/dbraw/zinc/22/25/25/398222525.db2.gz STQBGJHCLLCSTP-XOULXFPDSA-N 1 2 207.277 1.524 20 0 BDADLO Cc1cc(N[C@@H]2C=C[C@H](CO)C2)nc[nH+]1 ZINC000301488240 178180982 /nfs/dbraw/zinc/18/09/82/178180982.db2.gz JEKDCAVUQQLDHT-VHSXEESVSA-N 1 2 205.261 1.134 20 0 BDADLO Cc1cc(N[C@@H](CO)c2ccsc2)nc[nH+]1 ZINC000302287162 178181258 /nfs/dbraw/zinc/18/12/58/178181258.db2.gz VWNOCDLNLLHMOR-JTQLQIEISA-N 1 2 235.312 1.992 20 0 BDADLO Cc1cc(N[C@@H]2CCN(C)C2=O)nc(C2CC2)[nH+]1 ZINC000265562504 178182601 /nfs/dbraw/zinc/18/26/01/178182601.db2.gz JTTOSVUEZIPTCD-SNVBAGLBSA-N 1 2 246.314 1.305 20 0 BDADLO Cc1cc(N[C@@H]2CSC[C@@H]2C)nc[nH+]1 ZINC000307484221 178182802 /nfs/dbraw/zinc/18/28/02/178182802.db2.gz ANTSUZPIQVTWDA-IONNQARKSA-N 1 2 209.318 1.948 20 0 BDADLO CC[C@@H](C[NH2+][C@@](C)(C(=O)OC)C1CC1)OC ZINC000561234809 322997767 /nfs/dbraw/zinc/99/77/67/322997767.db2.gz DAQGVCZDJKYKSM-CMPLNLGQSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cc(N[C@H](C(C)C)C(C)(C)O)nc[nH+]1 ZINC000336738378 178183889 /nfs/dbraw/zinc/18/38/89/178183889.db2.gz KCBVQKMDZKGCOY-LLVKDONJSA-N 1 2 223.320 1.992 20 0 BDADLO Cc1cc(N[C@H](C)CO)nc(C(C)C)[nH+]1 ZINC000035663825 178185733 /nfs/dbraw/zinc/18/57/33/178185733.db2.gz XLZFBVUAPMOQIV-SECBINFHSA-N 1 2 209.293 1.701 20 0 BDADLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000049235896 178186254 /nfs/dbraw/zinc/18/62/54/178186254.db2.gz GHUCKAUVSRAPHX-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](O)[C@@H]2C)[nH+]1 ZINC000649421201 398223907 /nfs/dbraw/zinc/22/39/07/398223907.db2.gz KTULYRIFXNZFOZ-KWQFWETISA-N 1 2 246.314 1.616 20 0 BDADLO Cc1cc(N[C@H]2CCN(C)C2=O)nc(C2CC2)[nH+]1 ZINC000265562502 178190624 /nfs/dbraw/zinc/19/06/24/178190624.db2.gz JTTOSVUEZIPTCD-JTQLQIEISA-N 1 2 246.314 1.305 20 0 BDADLO Cc1cc(Nc2cnn(C)c2)nc(C)[nH+]1 ZINC000037756820 178193598 /nfs/dbraw/zinc/19/35/98/178193598.db2.gz HWYKRAWLSDMNEN-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO CCn1ncnc1CNc1ccc(N(C)C)[nH+]c1 ZINC000387184816 398227429 /nfs/dbraw/zinc/22/74/29/398227429.db2.gz LFPDIJSTJXKXPC-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCN(CC(C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276362341 538932406 /nfs/dbraw/zinc/93/24/06/538932406.db2.gz AMZHZWVQVZDCGV-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CCN(CC(C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276362341 538932408 /nfs/dbraw/zinc/93/24/08/538932408.db2.gz AMZHZWVQVZDCGV-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C(=O)OC ZINC000393695463 398231817 /nfs/dbraw/zinc/23/18/17/398231817.db2.gz PDVJBFZWEWBQAD-VIFPVBQESA-N 1 2 231.336 1.325 20 0 BDADLO CC[NH+]1CCC(Nc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000387422861 398232809 /nfs/dbraw/zinc/23/28/09/398232809.db2.gz VLKSSVBDHRJALB-UHFFFAOYSA-N 1 2 249.314 1.676 20 0 BDADLO CC1(C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000276657959 538932963 /nfs/dbraw/zinc/93/29/63/538932963.db2.gz XLGPJHRCMNKAMB-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CC1(C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000276657959 538932964 /nfs/dbraw/zinc/93/29/64/538932964.db2.gz XLGPJHRCMNKAMB-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000276583157 538932973 /nfs/dbraw/zinc/93/29/73/538932973.db2.gz LZGSAMKGANENIM-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CC2(C)OCCO2)no1 ZINC000281101804 178221665 /nfs/dbraw/zinc/22/16/65/178221665.db2.gz VYDNTNRBAYNQSR-SECBINFHSA-N 1 2 226.276 1.397 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000276583157 538932974 /nfs/dbraw/zinc/93/29/74/538932974.db2.gz LZGSAMKGANENIM-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)no1 ZINC000330387393 178223389 /nfs/dbraw/zinc/22/33/89/178223389.db2.gz WBBMXZFJGBFSRX-SECBINFHSA-N 1 2 239.319 1.548 20 0 BDADLO Cc1cc(NC(=O)N2CCCOCC2)cc[nH+]1 ZINC000334233404 136224569 /nfs/dbraw/zinc/22/45/69/136224569.db2.gz OHXIFFDGWLAWAP-UHFFFAOYSA-N 1 2 235.287 1.066 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2ccn(C)n2)nn1C ZINC000337469353 178229221 /nfs/dbraw/zinc/22/92/21/178229221.db2.gz MVSADQURCRYMJH-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO CC(C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000334459468 136225814 /nfs/dbraw/zinc/22/58/14/136225814.db2.gz LPNKHPYEAGNJPB-LBPRGKRZSA-N 1 2 233.315 1.211 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cn(C)nn2)on1 ZINC000336783734 178240405 /nfs/dbraw/zinc/24/04/05/178240405.db2.gz BTBAOPWJSZFJOE-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cn(C)nn2)on1 ZINC000336783734 178240408 /nfs/dbraw/zinc/24/04/08/178240408.db2.gz BTBAOPWJSZFJOE-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)no1 ZINC000363089429 178240791 /nfs/dbraw/zinc/24/07/91/178240791.db2.gz GLJHBGCXSFBQNX-LBPRGKRZSA-N 1 2 249.314 1.352 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCC2)no1 ZINC000363089429 178240792 /nfs/dbraw/zinc/24/07/92/178240792.db2.gz GLJHBGCXSFBQNX-LBPRGKRZSA-N 1 2 249.314 1.352 20 0 BDADLO C[C@H]1CC[C@@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000629941195 361784695 /nfs/dbraw/zinc/78/46/95/361784695.db2.gz FGMYPBJYECTZHH-CMPLNLGQSA-N 1 2 231.303 1.884 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150895530 323001989 /nfs/dbraw/zinc/00/19/89/323001989.db2.gz XMYCJRMXIOBXFL-VIFPVBQESA-N 1 2 245.319 1.212 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150895530 323001990 /nfs/dbraw/zinc/00/19/90/323001990.db2.gz XMYCJRMXIOBXFL-VIFPVBQESA-N 1 2 245.319 1.212 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2snnc2C)no1 ZINC000293694609 178251773 /nfs/dbraw/zinc/25/17/73/178251773.db2.gz OAPIWHQTUBYTGH-ZETCQYMHSA-N 1 2 238.316 1.994 20 0 BDADLO CC(C)(NC(=O)Cc1ccoc1)c1[nH]cc[nH+]1 ZINC000576472274 365604613 /nfs/dbraw/zinc/60/46/13/365604613.db2.gz AUWVULBERMPDKJ-UHFFFAOYSA-N 1 2 233.271 1.597 20 0 BDADLO CC[C@H](C)[C@H](C[NH+]1CCS(=O)CC1)OC ZINC000602465904 349538783 /nfs/dbraw/zinc/53/87/83/349538783.db2.gz RXYDLOSBZLYFNI-QWRGUYRKSA-N 1 2 233.377 1.112 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1csc(C)c1 ZINC000580900725 398250605 /nfs/dbraw/zinc/25/06/05/398250605.db2.gz VPYJJIMJFFYOEB-UHFFFAOYSA-N 1 2 212.318 1.234 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1csc(C)c1 ZINC000580900725 398250607 /nfs/dbraw/zinc/25/06/07/398250607.db2.gz VPYJJIMJFFYOEB-UHFFFAOYSA-N 1 2 212.318 1.234 20 0 BDADLO CCc1cc(N2CCn3cncc3C2)nc(C)[nH+]1 ZINC000290640670 538947009 /nfs/dbraw/zinc/94/70/09/538947009.db2.gz HYFOZDXPCVPLAL-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO Cc1c(C[N@@H+](C)[C@H](C)c2cnccn2)cnn1C ZINC000576741101 365674120 /nfs/dbraw/zinc/67/41/20/365674120.db2.gz RRZHQKPHQGDILS-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1c(C[N@H+](C)[C@H](C)c2cnccn2)cnn1C ZINC000576741101 365674127 /nfs/dbraw/zinc/67/41/27/365674127.db2.gz RRZHQKPHQGDILS-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO CC[C@@H](C)CCC(=O)NCc1c[nH+]cn1C ZINC000291403533 538947313 /nfs/dbraw/zinc/94/73/13/538947313.db2.gz IUYJOAMUQBCUEO-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(C)(CO)C2)[nH+]1 ZINC000649464267 398264225 /nfs/dbraw/zinc/26/42/25/398264225.db2.gz JRFIIVRCAWWBPV-UHFFFAOYSA-N 1 2 232.287 1.085 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000175017583 538949684 /nfs/dbraw/zinc/94/96/84/538949684.db2.gz XSKILZTYVZWVBC-LBPRGKRZSA-N 1 2 246.289 1.731 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)s1 ZINC000336240876 178393250 /nfs/dbraw/zinc/39/32/50/178393250.db2.gz IBSIVZKSZICOBM-SECBINFHSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)s1 ZINC000336240876 178393252 /nfs/dbraw/zinc/39/32/52/178393252.db2.gz IBSIVZKSZICOBM-SECBINFHSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)no1 ZINC000334636078 398271618 /nfs/dbraw/zinc/27/16/18/398271618.db2.gz VKIMHVBQXPVUIF-NEPJUHHUSA-N 1 2 249.314 1.178 20 0 BDADLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)no1 ZINC000334636078 398271620 /nfs/dbraw/zinc/27/16/20/398271620.db2.gz VKIMHVBQXPVUIF-NEPJUHHUSA-N 1 2 249.314 1.178 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000334666588 398272843 /nfs/dbraw/zinc/27/28/43/398272843.db2.gz OTTPWGKNPLKING-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000334666588 398272846 /nfs/dbraw/zinc/27/28/46/398272846.db2.gz OTTPWGKNPLKING-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO COC(=O)CN(Cc1[nH]cc(C)[nH+]1)C(C)C ZINC000600111056 342670396 /nfs/dbraw/zinc/67/03/96/342670396.db2.gz JXVBBHWKQJUPGU-UHFFFAOYSA-N 1 2 225.292 1.102 20 0 BDADLO CCOC(=O)CN(Cc1[nH]cc(C)[nH+]1)C1CC1 ZINC000600112529 342670730 /nfs/dbraw/zinc/67/07/30/342670730.db2.gz YCBGBTORSPVAMH-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC000600146057 342690033 /nfs/dbraw/zinc/69/00/33/342690033.db2.gz UYHMJDICFJCSER-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC000600146057 342690034 /nfs/dbraw/zinc/69/00/34/342690034.db2.gz UYHMJDICFJCSER-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO COC(=O)[C@H](CC(F)F)NCc1[nH]cc(C)[nH+]1 ZINC000600157325 342692818 /nfs/dbraw/zinc/69/28/18/342692818.db2.gz UUVBACMOGHZCQF-ZETCQYMHSA-N 1 2 247.245 1.005 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC=CCC2)on1 ZINC000602589296 349613634 /nfs/dbraw/zinc/61/36/34/349613634.db2.gz TUUISLSDOHXWJA-UHFFFAOYSA-N 1 2 222.244 1.223 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC=CCC2)on1 ZINC000602589296 349613637 /nfs/dbraw/zinc/61/36/37/349613637.db2.gz TUUISLSDOHXWJA-UHFFFAOYSA-N 1 2 222.244 1.223 20 0 BDADLO CC[C@@](C)(C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000602589408 349613689 /nfs/dbraw/zinc/61/36/89/349613689.db2.gz DGBQWPKNWGFIEB-MFKMUULPSA-N 1 2 245.363 1.979 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363937630 168383322 /nfs/dbraw/zinc/38/33/22/168383322.db2.gz HPYRBZRPZKCQQB-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1(C(F)F)CC1 ZINC000629990873 361876264 /nfs/dbraw/zinc/87/62/64/361876264.db2.gz IYEOPPYEAPBMJD-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO FC(F)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184064305 538968084 /nfs/dbraw/zinc/96/80/84/538968084.db2.gz CAKBKUYLCSKPCH-UHFFFAOYSA-N 1 2 235.274 1.381 20 0 BDADLO FC(F)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184064305 538968085 /nfs/dbraw/zinc/96/80/85/538968085.db2.gz CAKBKUYLCSKPCH-UHFFFAOYSA-N 1 2 235.274 1.381 20 0 BDADLO CC1(C(=O)N2CCn3cc[nH+]c3C2)CCC1 ZINC000335292005 398284700 /nfs/dbraw/zinc/28/47/00/398284700.db2.gz AVYSLAZECCYNCY-UHFFFAOYSA-N 1 2 219.288 1.416 20 0 BDADLO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000583970688 342785472 /nfs/dbraw/zinc/78/54/72/342785472.db2.gz QUCPJADAQMETNN-TVQRCGJNSA-N 1 2 243.314 1.233 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000639254471 398285119 /nfs/dbraw/zinc/28/51/19/398285119.db2.gz WACZTAWMOISGBD-UHFFFAOYSA-N 1 2 244.298 1.038 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000639254062 398285222 /nfs/dbraw/zinc/28/52/22/398285222.db2.gz JUDAFUCSQLXCDK-UHFFFAOYSA-N 1 2 219.284 1.188 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000634582598 342798540 /nfs/dbraw/zinc/79/85/40/342798540.db2.gz WVOBMESNNDLAAK-WCBMZHEXSA-N 1 2 247.302 1.760 20 0 BDADLO O=c1c2c([nH]n1-c1ccccc1Cl)CC[NH2+]C2 ZINC000634582913 342799947 /nfs/dbraw/zinc/79/99/47/342799947.db2.gz FYTLJBBPKKGXRC-MRVPVSSYSA-N 1 2 249.701 1.652 20 0 BDADLO Cc1cc(N2CCO[C@@H](CCF)C2)nc[nH+]1 ZINC000624651446 342808326 /nfs/dbraw/zinc/80/83/26/342808326.db2.gz AVNFJUSPKWGSAJ-JTQLQIEISA-N 1 2 225.267 1.350 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@H](CCF)C1 ZINC000624653056 342808505 /nfs/dbraw/zinc/80/85/05/342808505.db2.gz ZFGLHPVXHFMHEA-SNVBAGLBSA-N 1 2 240.278 1.655 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000624676280 342817783 /nfs/dbraw/zinc/81/77/83/342817783.db2.gz WQPNONKZIDSMRP-QWRGUYRKSA-N 1 2 249.314 1.773 20 0 BDADLO CC[C@H](CO)Nc1ccc(-c2[nH+]ccn2C)cn1 ZINC000630051525 361916999 /nfs/dbraw/zinc/91/69/99/361916999.db2.gz CLPCNPGVGUWSGS-LLVKDONJSA-N 1 2 246.314 1.665 20 0 BDADLO Cc1nn(C)c2ncc(-c3[nH+]ccn3C)cc12 ZINC000630052978 361922629 /nfs/dbraw/zinc/92/26/29/361922629.db2.gz ODLZUBMQSIAOPQ-UHFFFAOYSA-N 1 2 227.271 1.677 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000624754063 342824857 /nfs/dbraw/zinc/82/48/57/342824857.db2.gz FXHQVPAVDPRZND-JGZJWPJOSA-N 1 2 233.315 1.613 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000335464491 398289380 /nfs/dbraw/zinc/28/93/80/398289380.db2.gz MMZHOGXNGZEOLG-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000335464491 398289384 /nfs/dbraw/zinc/28/93/84/398289384.db2.gz MMZHOGXNGZEOLG-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)o1 ZINC000335464443 398289424 /nfs/dbraw/zinc/28/94/24/398289424.db2.gz DXRQZPDKVURXGJ-QLJPJBMISA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)o1 ZINC000335464443 398289426 /nfs/dbraw/zinc/28/94/26/398289426.db2.gz DXRQZPDKVURXGJ-QLJPJBMISA-N 1 2 241.356 1.931 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](CC(F)F)C1 ZINC000187581180 538976699 /nfs/dbraw/zinc/97/66/99/538976699.db2.gz FDWHIBHIRUJPHQ-SNVBAGLBSA-N 1 2 207.264 1.736 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](CC(F)F)C1 ZINC000187581180 538976700 /nfs/dbraw/zinc/97/67/00/538976700.db2.gz FDWHIBHIRUJPHQ-SNVBAGLBSA-N 1 2 207.264 1.736 20 0 BDADLO Cc1nc(N[C@H]2CCN(C3CCC3)C2=O)cc[nH+]1 ZINC000624781586 342828486 /nfs/dbraw/zinc/82/84/86/342828486.db2.gz JDLVGLBQLOECOY-NSHDSACASA-N 1 2 246.314 1.350 20 0 BDADLO COc1cccc(C[NH2+]Cc2cocn2)n1 ZINC000190985826 538990839 /nfs/dbraw/zinc/99/08/39/538990839.db2.gz LWXWJQYKHWOXHB-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(F)(F)F ZINC000517756556 259323118 /nfs/dbraw/zinc/32/31/18/259323118.db2.gz JPEBUIVQHFJFCG-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(F)(F)F ZINC000517756556 259323120 /nfs/dbraw/zinc/32/31/20/259323120.db2.gz JPEBUIVQHFJFCG-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C[C@@H]1F ZINC000381690538 539005785 /nfs/dbraw/zinc/00/57/85/539005785.db2.gz ZRRQKZQEHCJBPV-BQBZGAKWSA-N 1 2 244.701 1.897 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C[C@@H]1F ZINC000381690538 539005786 /nfs/dbraw/zinc/00/57/86/539005786.db2.gz ZRRQKZQEHCJBPV-BQBZGAKWSA-N 1 2 244.701 1.897 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1O ZINC000193547389 539006478 /nfs/dbraw/zinc/00/64/78/539006478.db2.gz GCXKQRXKCNDLRY-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1O ZINC000193547389 539006479 /nfs/dbraw/zinc/00/64/79/539006479.db2.gz GCXKQRXKCNDLRY-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO CC(C)[C@H](NC(=O)c1cnco1)c1[nH]cc[nH+]1 ZINC000640723562 361961625 /nfs/dbraw/zinc/96/16/25/361961625.db2.gz BFNPMTOKABPSEV-VIFPVBQESA-N 1 2 234.259 1.525 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccn(C)n1)c1[nH]cc[nH+]1 ZINC000640724590 361963110 /nfs/dbraw/zinc/96/31/10/361963110.db2.gz AWCNXOLMFXBURK-JTQLQIEISA-N 1 2 247.302 1.270 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2c[nH]nc2C)s1 ZINC000381208138 538996676 /nfs/dbraw/zinc/99/66/76/538996676.db2.gz GQDPOJOXKPZJCI-LURJTMIESA-N 1 2 237.332 1.729 20 0 BDADLO Cc1ccc(C)c(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634584276 342836335 /nfs/dbraw/zinc/83/63/35/342836335.db2.gz XVXCVSXCHZVUTD-NSHDSACASA-N 1 2 243.310 1.616 20 0 BDADLO COC[C@H]([NH2+]Cc1cn[nH]c1)c1ccco1 ZINC000381447012 539000698 /nfs/dbraw/zinc/00/06/98/539000698.db2.gz GCXLIXHGCKDEKT-JTQLQIEISA-N 1 2 221.260 1.480 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000649502120 398297357 /nfs/dbraw/zinc/29/73/57/398297357.db2.gz INCNBPLWORIZSP-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000649502120 398297362 /nfs/dbraw/zinc/29/73/62/398297362.db2.gz INCNBPLWORIZSP-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1cc(CN2CCc3c([nH+]cn3C)C2)no1 ZINC000072267659 342840401 /nfs/dbraw/zinc/84/04/01/342840401.db2.gz IKOJCLXXRQRUCX-UHFFFAOYSA-N 1 2 232.287 1.275 20 0 BDADLO c1c(C[N@@H+]2CCCOCC2)nn2c1CCC2 ZINC000649501244 398298806 /nfs/dbraw/zinc/29/88/06/398298806.db2.gz DDQSMYZUBJQUQJ-UHFFFAOYSA-N 1 2 221.304 1.052 20 0 BDADLO c1c(C[N@H+]2CCCOCC2)nn2c1CCC2 ZINC000649501244 398298809 /nfs/dbraw/zinc/29/88/09/398298809.db2.gz DDQSMYZUBJQUQJ-UHFFFAOYSA-N 1 2 221.304 1.052 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(F)cn1 ZINC000389836914 539017457 /nfs/dbraw/zinc/01/74/57/539017457.db2.gz QHALIOJRASBFNT-LLVKDONJSA-N 1 2 249.293 1.590 20 0 BDADLO CC[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(F)cn1 ZINC000389836915 539017531 /nfs/dbraw/zinc/01/75/31/539017531.db2.gz QHALIOJRASBFNT-NSHDSACASA-N 1 2 249.293 1.590 20 0 BDADLO c1c(C[N@@H+]2CCCOCC2)nn2c1CCCC2 ZINC000649501481 398299178 /nfs/dbraw/zinc/29/91/78/398299178.db2.gz KQIGHYDQFOMZCG-UHFFFAOYSA-N 1 2 235.331 1.442 20 0 BDADLO c1c(C[N@H+]2CCCOCC2)nn2c1CCCC2 ZINC000649501481 398299180 /nfs/dbraw/zinc/29/91/80/398299180.db2.gz KQIGHYDQFOMZCG-UHFFFAOYSA-N 1 2 235.331 1.442 20 0 BDADLO CC(C)/C=C/c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755161 361993493 /nfs/dbraw/zinc/99/34/93/361993493.db2.gz USKHXMLPIQPQJH-ONEGZZNKSA-N 1 2 217.276 1.719 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)cs1 ZINC000335645150 136243584 /nfs/dbraw/zinc/24/35/84/136243584.db2.gz AYIKVTGRZWPRCX-CMPLNLGQSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)cs1 ZINC000335645150 136243585 /nfs/dbraw/zinc/24/35/85/136243585.db2.gz AYIKVTGRZWPRCX-CMPLNLGQSA-N 1 2 241.356 1.638 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H]1CCC(=O)N1 ZINC000649504364 398301204 /nfs/dbraw/zinc/30/12/04/398301204.db2.gz VSWZIPHQVZRKGC-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H]1CCC(=O)N1 ZINC000649504364 398301206 /nfs/dbraw/zinc/30/12/06/398301206.db2.gz VSWZIPHQVZRKGC-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)CCO1 ZINC000625078684 342849482 /nfs/dbraw/zinc/84/94/82/342849482.db2.gz UAELCQKKWBXVBJ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CCO1 ZINC000625078684 342849483 /nfs/dbraw/zinc/84/94/83/342849483.db2.gz UAELCQKKWBXVBJ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)nc(C)n1 ZINC000348877614 136242737 /nfs/dbraw/zinc/24/27/37/136242737.db2.gz PFKBPMIHCODLSI-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO C[N@H+](CC(=O)NCC(C)(C)C)Cc1ccoc1 ZINC000625098839 342855115 /nfs/dbraw/zinc/85/51/15/342855115.db2.gz JQYPCRBTSUEZBP-UHFFFAOYSA-N 1 2 238.331 1.874 20 0 BDADLO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccoc1 ZINC000625098839 342855117 /nfs/dbraw/zinc/85/51/17/342855117.db2.gz JQYPCRBTSUEZBP-UHFFFAOYSA-N 1 2 238.331 1.874 20 0 BDADLO CSC[C@@H](CCO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134571076 342868755 /nfs/dbraw/zinc/86/87/55/342868755.db2.gz OTAKXEAOHXRLDP-PSASIEDQSA-N 1 2 243.376 1.483 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)CC[S@](C)=O ZINC000134591374 342871387 /nfs/dbraw/zinc/87/13/87/342871387.db2.gz BCUDCQVKHSYAKD-YNEJBJPTSA-N 1 2 243.376 1.526 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000335645701 136243801 /nfs/dbraw/zinc/24/38/01/136243801.db2.gz IICXZTGWNTWNHG-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)o1 ZINC000335645701 136243802 /nfs/dbraw/zinc/24/38/02/136243802.db2.gz IICXZTGWNTWNHG-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO CC(C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC000625126090 342880255 /nfs/dbraw/zinc/88/02/55/342880255.db2.gz FQKJRLFOQAOFQC-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnns2)CCCO1 ZINC000625134597 342885789 /nfs/dbraw/zinc/88/57/89/342885789.db2.gz QSHJJKNGZSVESJ-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnns2)CCCO1 ZINC000625134597 342885790 /nfs/dbraw/zinc/88/57/90/342885790.db2.gz QSHJJKNGZSVESJ-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000625140181 342889610 /nfs/dbraw/zinc/88/96/10/342889610.db2.gz QVJJLOMVKSDGTF-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000625140181 342889612 /nfs/dbraw/zinc/88/96/12/342889612.db2.gz QVJJLOMVKSDGTF-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO Cc1cc(NCC(C)(C)n2cc[nH+]c2)ncn1 ZINC000631367923 342893050 /nfs/dbraw/zinc/89/30/50/342893050.db2.gz ADQOAERVTMQRJK-UHFFFAOYSA-N 1 2 231.303 1.251 20 0 BDADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C12CC(C1)C2 ZINC000625195774 342907596 /nfs/dbraw/zinc/90/75/96/342907596.db2.gz QEHVUXLOZYBWSN-CVZZAPKMSA-N 1 2 245.326 1.916 20 0 BDADLO CCOC[C@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351514790 136246518 /nfs/dbraw/zinc/24/65/18/136246518.db2.gz AFOHOMXSBDYNEK-ONGXEEELSA-N 1 2 239.319 1.797 20 0 BDADLO CCOC[C@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351514790 136246519 /nfs/dbraw/zinc/24/65/19/136246519.db2.gz AFOHOMXSBDYNEK-ONGXEEELSA-N 1 2 239.319 1.797 20 0 BDADLO COCC[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000042340791 398323646 /nfs/dbraw/zinc/32/36/46/398323646.db2.gz MPUIPYKXELBAPD-UHFFFAOYSA-N 1 2 238.331 1.403 20 0 BDADLO COCC[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000042340791 398323647 /nfs/dbraw/zinc/32/36/47/398323647.db2.gz MPUIPYKXELBAPD-UHFFFAOYSA-N 1 2 238.331 1.403 20 0 BDADLO C[C@H](CC(=O)NCc1[nH+]ccn1C)C(F)(F)F ZINC000625239535 342927713 /nfs/dbraw/zinc/92/77/13/342927713.db2.gz RRFBVTPSGADONY-SSDOTTSWSA-N 1 2 249.236 1.625 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(C)cn1 ZINC000505602300 529414050 /nfs/dbraw/zinc/41/40/50/529414050.db2.gz NELQCHNOGOTNAN-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(C)cn1 ZINC000505602300 529414052 /nfs/dbraw/zinc/41/40/52/529414052.db2.gz NELQCHNOGOTNAN-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)n(C)n1 ZINC000487382128 529416412 /nfs/dbraw/zinc/41/64/12/529416412.db2.gz UOGFHADSGQCWCE-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)n(C)n1 ZINC000487382128 529416413 /nfs/dbraw/zinc/41/64/13/529416413.db2.gz UOGFHADSGQCWCE-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CCN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000602630386 349647595 /nfs/dbraw/zinc/64/75/95/349647595.db2.gz QHKMVMWTLJSRDN-UHFFFAOYSA-N 1 2 247.342 1.664 20 0 BDADLO CC[C@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492766551 529426999 /nfs/dbraw/zinc/42/69/99/529426999.db2.gz NAKQZKZQESSNNX-DSYXLKISSA-N 1 2 249.314 1.186 20 0 BDADLO COC(=O)[C@@H](CC(F)F)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000602636854 349651249 /nfs/dbraw/zinc/65/12/49/349651249.db2.gz UWSKDDZJWHYFSY-UTINFBMNSA-N 1 2 247.285 1.819 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000602643703 349656109 /nfs/dbraw/zinc/65/61/09/349656109.db2.gz IHNLLKDKLQXXNA-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351728776 536650692 /nfs/dbraw/zinc/65/06/92/536650692.db2.gz ALUDSHBPZVODML-TUAOUCFPSA-N 1 2 243.347 1.683 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351728776 536650696 /nfs/dbraw/zinc/65/06/96/536650696.db2.gz ALUDSHBPZVODML-TUAOUCFPSA-N 1 2 243.347 1.683 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)CC[C@@H]1C ZINC000351625840 136248988 /nfs/dbraw/zinc/24/89/88/136248988.db2.gz CHIRMRYXMKDWLX-ATZCPNFKSA-N 1 2 239.319 1.796 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2noc(C)n2)CC[C@@H]1C ZINC000351625840 136248989 /nfs/dbraw/zinc/24/89/89/136248989.db2.gz CHIRMRYXMKDWLX-ATZCPNFKSA-N 1 2 239.319 1.796 20 0 BDADLO Cc1nc(N[C@@H](C)CCC(C)C)nc(N)[nH+]1 ZINC000304451716 398336421 /nfs/dbraw/zinc/33/64/21/398336421.db2.gz KEDMAYWYSZXUKQ-QMMMGPOBSA-N 1 2 223.324 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)CCC(C)C)[nH+]1 ZINC000304451716 398336422 /nfs/dbraw/zinc/33/64/22/398336422.db2.gz KEDMAYWYSZXUKQ-QMMMGPOBSA-N 1 2 223.324 1.999 20 0 BDADLO CC(C)(NC(=O)CC1(C)CC1)c1[nH]cc[nH+]1 ZINC000566363844 398336495 /nfs/dbraw/zinc/33/64/95/398336495.db2.gz CTGOEEMQZFSLOA-UHFFFAOYSA-N 1 2 221.304 1.951 20 0 BDADLO CO[C@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120162302 398336975 /nfs/dbraw/zinc/33/69/75/398336975.db2.gz RPMKSVPYBQLJQL-ZJUUUORDSA-N 1 2 237.303 1.498 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCOC2)cs1 ZINC000120751196 398337191 /nfs/dbraw/zinc/33/71/91/398337191.db2.gz QXRZBCSATAMGPZ-SNVBAGLBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCOC2)cs1 ZINC000120751196 398337192 /nfs/dbraw/zinc/33/71/92/398337192.db2.gz QXRZBCSATAMGPZ-SNVBAGLBSA-N 1 2 212.318 1.672 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)O1 ZINC000354899017 398331138 /nfs/dbraw/zinc/33/11/38/398331138.db2.gz VJOCUODFNGXJTR-PWMNWJTFSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)O1 ZINC000354899017 398331139 /nfs/dbraw/zinc/33/11/39/398331139.db2.gz VJOCUODFNGXJTR-PWMNWJTFSA-N 1 2 245.388 1.395 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@@H](COC)C(=O)OC ZINC000336675569 346894444 /nfs/dbraw/zinc/89/44/44/346894444.db2.gz BLNUMBNMTTVCMH-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO Fc1ccc(CC[NH+]2CCOCC2)cc1F ZINC000151886548 398342779 /nfs/dbraw/zinc/34/27/79/398342779.db2.gz FMVKZSSLCDITDB-UHFFFAOYSA-N 1 2 227.254 1.840 20 0 BDADLO CCC[NH+]1CCN(C(=O)c2nccs2)CC1 ZINC000683541908 488191575 /nfs/dbraw/zinc/19/15/75/488191575.db2.gz YELUBRUFMFXKMC-UHFFFAOYSA-N 1 2 239.344 1.311 20 0 BDADLO COc1ccc[nH+]c1N(C)CC(C)(C)OC ZINC000527922253 262894943 /nfs/dbraw/zinc/89/49/43/262894943.db2.gz DJUWDOXCUSIWKS-UHFFFAOYSA-N 1 2 224.304 1.951 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000495857456 529552611 /nfs/dbraw/zinc/55/26/11/529552611.db2.gz IAESZKGIIOCPMH-ZJUUUORDSA-N 1 2 230.283 1.261 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000495857456 529552612 /nfs/dbraw/zinc/55/26/12/529552612.db2.gz IAESZKGIIOCPMH-ZJUUUORDSA-N 1 2 230.283 1.261 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CC[C@H]1C ZINC000492890103 529555438 /nfs/dbraw/zinc/55/54/38/529555438.db2.gz JFLAHPNSXKQTFS-AFPRHGJPSA-N 1 2 233.315 1.831 20 0 BDADLO CC[C@@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492766553 529555733 /nfs/dbraw/zinc/55/57/33/529555733.db2.gz NAKQZKZQESSNNX-ZFDPJTLLSA-N 1 2 249.314 1.186 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NOCCC1CC1 ZINC000492904816 529559914 /nfs/dbraw/zinc/55/99/14/529559914.db2.gz YVCJBSMVSARWBM-WAYWQWQTSA-N 1 2 249.314 1.764 20 0 BDADLO CC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000493426863 529572232 /nfs/dbraw/zinc/57/22/32/529572232.db2.gz QPRLDFQWGVZEEA-CDAZIORVSA-N 1 2 245.286 1.414 20 0 BDADLO CC[N@H+](CCC(=O)OC)CC(F)(F)CC ZINC000602767774 349722778 /nfs/dbraw/zinc/72/27/78/349722778.db2.gz YDDUMXJYUSXOMK-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CC[N@@H+](CCC(=O)OC)CC(F)(F)CC ZINC000602767774 349722780 /nfs/dbraw/zinc/72/27/80/349722780.db2.gz YDDUMXJYUSXOMK-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602770207 349725019 /nfs/dbraw/zinc/72/50/19/349725019.db2.gz OOGMGYORUMBUFC-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602770207 349725020 /nfs/dbraw/zinc/72/50/20/349725020.db2.gz OOGMGYORUMBUFC-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+]Cc2ncc[nH]2)cc1C ZINC000602731620 349718109 /nfs/dbraw/zinc/71/81/09/349718109.db2.gz OLBKYXRLWWKHBU-UHFFFAOYSA-N 1 2 248.286 1.123 20 0 BDADLO CO[C@H]1C[N@H+](Cc2nnc(C)s2)CC[C@H]1C ZINC000342722654 536767198 /nfs/dbraw/zinc/76/71/98/536767198.db2.gz OIEUGTIJNCVMIR-SCZZXKLOSA-N 1 2 241.360 1.703 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2nnc(C)s2)CC[C@H]1C ZINC000342722654 536767207 /nfs/dbraw/zinc/76/72/07/536767207.db2.gz OIEUGTIJNCVMIR-SCZZXKLOSA-N 1 2 241.360 1.703 20 0 BDADLO Cc1ccc(F)c(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634611088 343006659 /nfs/dbraw/zinc/00/66/59/343006659.db2.gz NDASITMDBHMKSF-SECBINFHSA-N 1 2 247.273 1.446 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000602821419 349761844 /nfs/dbraw/zinc/76/18/44/349761844.db2.gz MEHQTXZGSBIHIL-LBPRGKRZSA-N 1 2 233.319 1.350 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000602821419 349761848 /nfs/dbraw/zinc/76/18/48/349761848.db2.gz MEHQTXZGSBIHIL-LBPRGKRZSA-N 1 2 233.319 1.350 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000351872606 136260575 /nfs/dbraw/zinc/26/05/75/136260575.db2.gz DYLJGVYEIAVAJS-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000351872606 136260576 /nfs/dbraw/zinc/26/05/76/136260576.db2.gz DYLJGVYEIAVAJS-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000602815390 349758068 /nfs/dbraw/zinc/75/80/68/349758068.db2.gz KDBRCVDEIIYEPN-TUAOUCFPSA-N 1 2 225.336 1.287 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000602815390 349758070 /nfs/dbraw/zinc/75/80/70/349758070.db2.gz KDBRCVDEIIYEPN-TUAOUCFPSA-N 1 2 225.336 1.287 20 0 BDADLO CC1(C)CCCC[C@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634625983 343030643 /nfs/dbraw/zinc/03/06/43/343030643.db2.gz TZZVHKZDIMRSDD-ZYHUDNBSSA-N 1 2 249.358 1.763 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccccn1 ZINC000169798421 343044371 /nfs/dbraw/zinc/04/43/71/343044371.db2.gz JVODBXLMMREOKN-JTQLQIEISA-N 1 2 242.282 1.023 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H]2C[C@H]12 ZINC000634632952 343044377 /nfs/dbraw/zinc/04/43/77/343044377.db2.gz FNTXZHXTNKCYKX-GHMZBOCLSA-N 1 2 232.287 1.127 20 0 BDADLO C[C@H]1CCC2=NN(CCCn3cc[nH+]c3)C(=O)[C@H]21 ZINC000634633678 343046157 /nfs/dbraw/zinc/04/61/57/343046157.db2.gz CSLVIOFZWDSLBB-JQWIXIFHSA-N 1 2 246.314 1.518 20 0 BDADLO C[C@@H]1CCC2=NN(CCCn3cc[nH+]c3)C(=O)[C@@H]21 ZINC000634633680 343046353 /nfs/dbraw/zinc/04/63/53/343046353.db2.gz CSLVIOFZWDSLBB-ZYHUDNBSSA-N 1 2 246.314 1.518 20 0 BDADLO O=c1c2ccoc2cnn1CCCn1cc[nH+]c1 ZINC000634634107 343046548 /nfs/dbraw/zinc/04/65/48/343046548.db2.gz OMCPZBJDUAEQFE-UHFFFAOYSA-N 1 2 244.254 1.276 20 0 BDADLO C[C@@H]1CC[C@H]2C(=O)N(CCCn3cc[nH+]c3)N=C12 ZINC000634634424 343047211 /nfs/dbraw/zinc/04/72/11/343047211.db2.gz XJOWVDSFEZSRJH-GHMZBOCLSA-N 1 2 246.314 1.518 20 0 BDADLO O=c1cc(C2CCC2)[nH]n1CCCn1cc[nH+]c1 ZINC000634634275 343047249 /nfs/dbraw/zinc/04/72/49/343047249.db2.gz UANVAOCCSDSTJC-UHFFFAOYSA-N 1 2 246.314 1.662 20 0 BDADLO CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024909244 343079243 /nfs/dbraw/zinc/07/92/43/343079243.db2.gz QSWVUARXAWXVQT-UHFFFAOYSA-N 1 2 244.298 1.796 20 0 BDADLO CC(=O)NC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000067385299 362019871 /nfs/dbraw/zinc/01/98/71/362019871.db2.gz DTPSFGWJYBBPRK-LBPRGKRZSA-N 1 2 233.315 1.434 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)C[C@H](C)C1(F)F ZINC000625654271 344027076 /nfs/dbraw/zinc/02/70/76/344027076.db2.gz XVHRHJMRBBPNEH-OCAPTIKFSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn[nH]2)C[C@H](C)C1(F)F ZINC000625654271 344027077 /nfs/dbraw/zinc/02/70/77/344027077.db2.gz XVHRHJMRBBPNEH-OCAPTIKFSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@H](C)C1(F)F ZINC000625654271 344027080 /nfs/dbraw/zinc/02/70/80/344027080.db2.gz XVHRHJMRBBPNEH-OCAPTIKFSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@H](C)C1(F)F ZINC000625654271 344027083 /nfs/dbraw/zinc/02/70/83/344027083.db2.gz XVHRHJMRBBPNEH-OCAPTIKFSA-N 1 2 230.262 1.528 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@]12CCOC(C)(C)C2 ZINC000634533844 362028333 /nfs/dbraw/zinc/02/83/33/362028333.db2.gz RGRPUQAXJLIGOO-CYBMUJFWSA-N 1 2 240.347 1.360 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@]12CCOC(C)(C)C2 ZINC000634533844 362028337 /nfs/dbraw/zinc/02/83/37/362028337.db2.gz RGRPUQAXJLIGOO-CYBMUJFWSA-N 1 2 240.347 1.360 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000309954513 343108206 /nfs/dbraw/zinc/10/82/06/343108206.db2.gz HRQFSCSRNBFIJH-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)O1 ZINC000394978081 362103332 /nfs/dbraw/zinc/10/33/32/362103332.db2.gz COFASXOBGGCSAV-MRTMQBJTSA-N 1 2 247.302 1.341 20 0 BDADLO CC[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640938802 362075762 /nfs/dbraw/zinc/07/57/62/362075762.db2.gz LMQSKTDQOLRKRM-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000602866132 349797638 /nfs/dbraw/zinc/79/76/38/349797638.db2.gz NDWAOWQRVBYRHX-GFCCVEGCSA-N 1 2 237.347 1.433 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000602866132 349797641 /nfs/dbraw/zinc/79/76/41/349797641.db2.gz NDWAOWQRVBYRHX-GFCCVEGCSA-N 1 2 237.347 1.433 20 0 BDADLO CC[C@@H](C)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640942656 362084817 /nfs/dbraw/zinc/08/48/17/362084817.db2.gz UHHGFYXUFRSINT-SNVBAGLBSA-N 1 2 219.292 1.569 20 0 BDADLO CC(C)CCCn1cc(C[N@H+](C)CCO)nn1 ZINC000640940252 362086194 /nfs/dbraw/zinc/08/61/94/362086194.db2.gz OMQULMJSPMPOIF-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CC(C)CCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000640940252 362086198 /nfs/dbraw/zinc/08/61/98/362086198.db2.gz OMQULMJSPMPOIF-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(CO)o2)no1 ZINC000082738113 362115434 /nfs/dbraw/zinc/11/54/34/362115434.db2.gz VKQXSTCGWMFOHR-UHFFFAOYSA-N 1 2 222.244 1.358 20 0 BDADLO CC[C@@H]1C[N@H+](CCN(C#N)CC)[C@@H](C)CO1 ZINC000602866029 349797944 /nfs/dbraw/zinc/79/79/44/349797944.db2.gz MONTYESDHBOPAY-NWDGAFQWSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@@H]1C[N@@H+](CCN(C#N)CC)[C@@H](C)CO1 ZINC000602866029 349797947 /nfs/dbraw/zinc/79/79/47/349797947.db2.gz MONTYESDHBOPAY-NWDGAFQWSA-N 1 2 225.336 1.289 20 0 BDADLO CO[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575759 192355052 /nfs/dbraw/zinc/35/50/52/192355052.db2.gz KVHWUZVSPCVBDJ-SNVBAGLBSA-N 1 2 222.288 1.350 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625271950 343184284 /nfs/dbraw/zinc/18/42/84/343184284.db2.gz ASXSQSVRSHCMTN-SCZZXKLOSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625271950 343184286 /nfs/dbraw/zinc/18/42/86/343184286.db2.gz ASXSQSVRSHCMTN-SCZZXKLOSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cnns1 ZINC000625268368 343162564 /nfs/dbraw/zinc/16/25/64/343162564.db2.gz YEVLNKBELPEVON-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cnns1 ZINC000625268368 343162565 /nfs/dbraw/zinc/16/25/65/343162565.db2.gz YEVLNKBELPEVON-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000125390894 343173593 /nfs/dbraw/zinc/17/35/93/343173593.db2.gz AYLJCZMFLPCTDM-HTQZYQBOSA-N 1 2 225.317 1.483 20 0 BDADLO COCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125402024 343173659 /nfs/dbraw/zinc/17/36/59/343173659.db2.gz XTRAISFNSVAJKQ-MRVPVSSYSA-N 1 2 211.265 1.014 20 0 BDADLO CCC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)OCC ZINC000128574217 343174565 /nfs/dbraw/zinc/17/45/65/343174565.db2.gz MEOUOPMTGIUBLV-DCAQKATOSA-N 1 2 243.347 1.467 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1CCC1 ZINC000134821810 343195618 /nfs/dbraw/zinc/19/56/18/343195618.db2.gz ZHYUWISDZQBPIG-UHFFFAOYSA-N 1 2 208.265 1.279 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1CCC1 ZINC000134821810 343195619 /nfs/dbraw/zinc/19/56/19/343195619.db2.gz ZHYUWISDZQBPIG-UHFFFAOYSA-N 1 2 208.265 1.279 20 0 BDADLO COc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000140880535 343197554 /nfs/dbraw/zinc/19/75/54/343197554.db2.gz CHKJWDMLAAHJLE-SECBINFHSA-N 1 2 245.282 1.909 20 0 BDADLO O[C@@H](C[N@@H+]1CCC[C@H]1C(F)F)CC1(O)CCC1 ZINC000625276942 343216048 /nfs/dbraw/zinc/21/60/48/343216048.db2.gz PKXNQJGFJXBIJK-ZJUUUORDSA-N 1 2 249.301 1.382 20 0 BDADLO O[C@@H](C[N@H+]1CCC[C@H]1C(F)F)CC1(O)CCC1 ZINC000625276942 343216050 /nfs/dbraw/zinc/21/60/50/343216050.db2.gz PKXNQJGFJXBIJK-ZJUUUORDSA-N 1 2 249.301 1.382 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1noc(C)n1)C1CC1 ZINC000625302040 343227434 /nfs/dbraw/zinc/22/74/34/343227434.db2.gz CGSFWRAWDOTZSM-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1noc(C)n1)C1CC1 ZINC000625302040 343227436 /nfs/dbraw/zinc/22/74/36/343227436.db2.gz CGSFWRAWDOTZSM-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1O ZINC000032917801 343244120 /nfs/dbraw/zinc/24/41/20/343244120.db2.gz IYFZCHDJALTXFB-UHFFFAOYSA-N 1 2 231.255 1.618 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CCC1)CC2 ZINC000625351292 343245080 /nfs/dbraw/zinc/24/50/80/343245080.db2.gz CEKOOQVVXIUQQG-JTQLQIEISA-N 1 2 233.315 1.423 20 0 BDADLO CC(C)c1nc(NCCC[C@@H](C)CO)cc[nH+]1 ZINC000340083670 136285975 /nfs/dbraw/zinc/28/59/75/136285975.db2.gz WQWPFDGAWQLRTK-LLVKDONJSA-N 1 2 237.347 1.842 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCCCNC2=O)cs1 ZINC000036977401 343329188 /nfs/dbraw/zinc/32/91/88/343329188.db2.gz LFHTVMWVQJHRRF-SNVBAGLBSA-N 1 2 239.344 1.210 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cscn1 ZINC000070125249 343300543 /nfs/dbraw/zinc/30/05/43/343300543.db2.gz BVYFDGDWORQWTE-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1c(F)cccc1F ZINC000035793630 343304362 /nfs/dbraw/zinc/30/43/62/343304362.db2.gz VCQKBAZSEDUCEJ-RQJHMYQMSA-N 1 2 228.242 1.489 20 0 BDADLO C[C@@H](CC(=O)N(C1CC1)C1COC1)n1cc[nH+]c1 ZINC000584055997 343308310 /nfs/dbraw/zinc/30/83/10/343308310.db2.gz AEPLRDNPONGCQS-JTQLQIEISA-N 1 2 249.314 1.224 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000625372291 343359503 /nfs/dbraw/zinc/35/95/03/343359503.db2.gz YREPFTZTMDDMEL-ZETCQYMHSA-N 1 2 249.236 1.957 20 0 BDADLO O=C(COCc1ccccc1)NCc1[nH]cc[nH+]1 ZINC000070990443 343342393 /nfs/dbraw/zinc/34/23/93/343342393.db2.gz AQXZIWAJYGHFRX-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO CC[C@@H]1CCC[C@]2(C1)NC(=O)C[N@@H+]2CC ZINC000335643563 136303858 /nfs/dbraw/zinc/30/38/58/136303858.db2.gz POSKVTKLTMLQON-PWSUYJOCSA-N 1 2 210.321 1.735 20 0 BDADLO CC[C@@H]1CCC[C@]2(C1)NC(=O)C[N@H+]2CC ZINC000335643563 136303859 /nfs/dbraw/zinc/30/38/59/136303859.db2.gz POSKVTKLTMLQON-PWSUYJOCSA-N 1 2 210.321 1.735 20 0 BDADLO CC[C@@H](C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000335608076 136298635 /nfs/dbraw/zinc/29/86/35/136298635.db2.gz DIBSAICCPSTZMQ-SNVBAGLBSA-N 1 2 236.319 1.454 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)nn1C ZINC000348930076 136309275 /nfs/dbraw/zinc/30/92/75/136309275.db2.gz XMVFTYZBWNCDNR-LLVKDONJSA-N 1 2 247.346 1.655 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)nn1C ZINC000348930076 136309276 /nfs/dbraw/zinc/30/92/76/136309276.db2.gz XMVFTYZBWNCDNR-LLVKDONJSA-N 1 2 247.346 1.655 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCOCC12CC2 ZINC000335668470 136312282 /nfs/dbraw/zinc/31/22/82/136312282.db2.gz PXMGWUNOIBQZQQ-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCOCC12CC2 ZINC000335668470 136312283 /nfs/dbraw/zinc/31/22/83/136312283.db2.gz PXMGWUNOIBQZQQ-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO c1cn(Cc2cn(CC3=CCCC3)nn2)c[nH+]1 ZINC000641067013 362177390 /nfs/dbraw/zinc/17/73/90/362177390.db2.gz GLOFVFKHFFUMIF-UHFFFAOYSA-N 1 2 229.287 1.633 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000625400641 343411632 /nfs/dbraw/zinc/41/16/32/343411632.db2.gz KKPVSHGWYIKMKT-LURJTMIESA-N 1 2 235.259 1.352 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000625400641 343411634 /nfs/dbraw/zinc/41/16/34/343411634.db2.gz KKPVSHGWYIKMKT-LURJTMIESA-N 1 2 235.259 1.352 20 0 BDADLO C[N@H+](CCO)Cc1ncc(C(C)(C)C)o1 ZINC000041392302 343420342 /nfs/dbraw/zinc/42/03/42/343420342.db2.gz DFCQCRJBBRXQMX-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO C[N@@H+](CCO)Cc1ncc(C(C)(C)C)o1 ZINC000041392302 343420343 /nfs/dbraw/zinc/42/03/43/343420343.db2.gz DFCQCRJBBRXQMX-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO COC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000609338534 343420389 /nfs/dbraw/zinc/42/03/89/343420389.db2.gz SAAZJQGICQJXEF-UHFFFAOYSA-N 1 2 225.313 1.669 20 0 BDADLO COC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000609338534 343420390 /nfs/dbraw/zinc/42/03/90/343420390.db2.gz SAAZJQGICQJXEF-UHFFFAOYSA-N 1 2 225.313 1.669 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616412590 343426365 /nfs/dbraw/zinc/42/63/65/343426365.db2.gz BQEUFJSVXWAFKN-KCJUWKMLSA-N 1 2 231.299 1.183 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616412590 343426367 /nfs/dbraw/zinc/42/63/67/343426367.db2.gz BQEUFJSVXWAFKN-KCJUWKMLSA-N 1 2 231.299 1.183 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616412592 343426433 /nfs/dbraw/zinc/42/64/33/343426433.db2.gz BQEUFJSVXWAFKN-LDYMZIIASA-N 1 2 231.299 1.183 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616412592 343426435 /nfs/dbraw/zinc/42/64/35/343426435.db2.gz BQEUFJSVXWAFKN-LDYMZIIASA-N 1 2 231.299 1.183 20 0 BDADLO OC1(C(F)F)CC[NH+](Cc2ccon2)CC1 ZINC000335829172 136352924 /nfs/dbraw/zinc/35/29/24/136352924.db2.gz JASWAYFACZFTAO-UHFFFAOYSA-N 1 2 232.230 1.267 20 0 BDADLO Cc1cc(Cn2cc(CC[C@@H](C)O)nn2)cc[nH+]1 ZINC000641089497 362213900 /nfs/dbraw/zinc/21/39/00/362213900.db2.gz PLZGCAQLGGCDAI-LLVKDONJSA-N 1 2 246.314 1.343 20 0 BDADLO COC(C)(C)c1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641090308 362214968 /nfs/dbraw/zinc/21/49/68/362214968.db2.gz WXYURYPJPBXKRW-UHFFFAOYSA-N 1 2 246.314 1.911 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccsc1 ZINC000042534259 343441598 /nfs/dbraw/zinc/44/15/98/343441598.db2.gz SBKSYKGTFRTSAM-JTQLQIEISA-N 1 2 249.339 1.692 20 0 BDADLO C[C@@H](NCCC[NH+]1CCOCC1)c1ccon1 ZINC000349247657 136333272 /nfs/dbraw/zinc/33/32/72/136333272.db2.gz UPTUXHSFMSOLGY-LLVKDONJSA-N 1 2 239.319 1.048 20 0 BDADLO CCOCc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641090516 362216262 /nfs/dbraw/zinc/21/62/62/362216262.db2.gz XTDFLXFURBDYNP-UHFFFAOYSA-N 1 2 232.287 1.566 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000335834717 136353032 /nfs/dbraw/zinc/35/30/32/136353032.db2.gz MRDCVGXXHCPGEN-GXSJLCMTSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000335834717 136353033 /nfs/dbraw/zinc/35/30/33/136353033.db2.gz MRDCVGXXHCPGEN-GXSJLCMTSA-N 1 2 216.300 1.287 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000042223376 343431329 /nfs/dbraw/zinc/43/13/29/343431329.db2.gz YVVPUDFVRXGCTF-LLVKDONJSA-N 1 2 221.300 1.955 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2)CC[S@@]1=O ZINC000335710462 136337558 /nfs/dbraw/zinc/33/75/58/136337558.db2.gz LTUGXGNMRSXJRE-NHYWBVRUSA-N 1 2 223.341 1.639 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[S@@]1=O ZINC000335710462 136337559 /nfs/dbraw/zinc/33/75/59/136337559.db2.gz LTUGXGNMRSXJRE-NHYWBVRUSA-N 1 2 223.341 1.639 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000335713393 136338305 /nfs/dbraw/zinc/33/83/05/136338305.db2.gz RCRNTSRLPKGMPQ-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccncc1 ZINC000335713393 136338306 /nfs/dbraw/zinc/33/83/06/136338306.db2.gz RCRNTSRLPKGMPQ-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(O)cc2)nn1 ZINC000349345909 136342696 /nfs/dbraw/zinc/34/26/96/136342696.db2.gz JSFSWWNJGFXOFD-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(O)cc2)nn1 ZINC000349345909 136342697 /nfs/dbraw/zinc/34/26/97/136342697.db2.gz JSFSWWNJGFXOFD-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO COCCC[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000350075052 136354383 /nfs/dbraw/zinc/35/43/83/136354383.db2.gz OWALATGAIFMCKJ-VIFPVBQESA-N 1 2 225.292 1.089 20 0 BDADLO CSC1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000602919673 349809162 /nfs/dbraw/zinc/80/91/62/349809162.db2.gz KMFISRGTRNLTKL-MRVPVSSYSA-N 1 2 241.364 1.099 20 0 BDADLO COC(C)(C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641099913 362225934 /nfs/dbraw/zinc/22/59/34/362225934.db2.gz UAKOOEUHJJJDIL-UHFFFAOYSA-N 1 2 249.318 1.338 20 0 BDADLO CC[C@@H](SC)C(=O)N1CC[NH+](CC)CC1 ZINC000351501155 136368662 /nfs/dbraw/zinc/36/86/62/136368662.db2.gz WQORMESQPQPASB-SNVBAGLBSA-N 1 2 230.377 1.292 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000351499518 136368918 /nfs/dbraw/zinc/36/89/18/136368918.db2.gz CMEFXIZMUDLNIL-WPRPVWTQSA-N 1 2 219.288 1.171 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000351582039 136369397 /nfs/dbraw/zinc/36/93/97/136369397.db2.gz PDERBJUBQGIYOX-XKSSXDPKSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000351582039 136369398 /nfs/dbraw/zinc/36/93/98/136369398.db2.gz PDERBJUBQGIYOX-XKSSXDPKSA-N 1 2 225.292 1.142 20 0 BDADLO O=C(c1cn(CCn2cc[nH+]c2)nn1)C1CCC1 ZINC000641124007 362230682 /nfs/dbraw/zinc/23/06/82/362230682.db2.gz RVQMJTBOPGGPTG-UHFFFAOYSA-N 1 2 245.286 1.158 20 0 BDADLO FC(F)(F)COCC[NH2+]Cc1csnn1 ZINC000082627304 343457229 /nfs/dbraw/zinc/45/72/29/343457229.db2.gz DGPAUEDMFDXAQL-UHFFFAOYSA-N 1 2 241.238 1.207 20 0 BDADLO CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000083746779 343497600 /nfs/dbraw/zinc/49/76/00/343497600.db2.gz NMZRHWUHBZAONP-MRVPVSSYSA-N 1 2 208.290 1.565 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000628289889 346946099 /nfs/dbraw/zinc/94/60/99/346946099.db2.gz RBJKKGPYJBOEJB-LLVKDONJSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000628289889 346946102 /nfs/dbraw/zinc/94/61/02/346946102.db2.gz RBJKKGPYJBOEJB-LLVKDONJSA-N 1 2 231.303 1.362 20 0 BDADLO CSCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421561103 192362188 /nfs/dbraw/zinc/36/21/88/192362188.db2.gz RSXCTUMMSKMAQB-UHFFFAOYSA-N 1 2 224.329 1.678 20 0 BDADLO CC(C)SCC(=O)NCc1c[nH+]c[nH]1 ZINC000084081716 343518348 /nfs/dbraw/zinc/51/83/48/343518348.db2.gz IZEMPAXNYKHZDS-UHFFFAOYSA-N 1 2 213.306 1.168 20 0 BDADLO CC(C)SCC(=O)NCc1c[nH]c[nH+]1 ZINC000084081716 343518351 /nfs/dbraw/zinc/51/83/51/343518351.db2.gz IZEMPAXNYKHZDS-UHFFFAOYSA-N 1 2 213.306 1.168 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000083825811 343502968 /nfs/dbraw/zinc/50/29/68/343502968.db2.gz UIUNAUYQHSADHP-ZCFIWIBFSA-N 1 2 213.199 1.432 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000083825811 343502972 /nfs/dbraw/zinc/50/29/72/343502972.db2.gz UIUNAUYQHSADHP-ZCFIWIBFSA-N 1 2 213.199 1.432 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cc(C)ccn1 ZINC000616748494 343558131 /nfs/dbraw/zinc/55/81/31/343558131.db2.gz IRHGZDOXQPHJHN-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cc(C)ccn1 ZINC000616748494 343558134 /nfs/dbraw/zinc/55/81/34/343558134.db2.gz IRHGZDOXQPHJHN-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC1CC1)C(C)(C)C ZINC000118985106 343587845 /nfs/dbraw/zinc/58/78/45/343587845.db2.gz JHOVKIBIIRBOED-LLVKDONJSA-N 1 2 243.347 1.590 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)NC3CC3)cn2c1 ZINC000048844645 343588654 /nfs/dbraw/zinc/58/86/54/343588654.db2.gz PNNVLUCUGBHYRD-UHFFFAOYSA-N 1 2 244.298 1.604 20 0 BDADLO Cc1cccc(CC(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000070981004 343581316 /nfs/dbraw/zinc/58/13/16/343581316.db2.gz XWDSFBVTVFDYBJ-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO CC(C)[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000620044659 343598399 /nfs/dbraw/zinc/59/83/99/343598399.db2.gz LROPMLMHYQERTG-ZDUSSCGKSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(O)c1 ZINC000622745756 343605509 /nfs/dbraw/zinc/60/55/09/343605509.db2.gz VJEJEOSYZLLFFJ-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000119030975 343605634 /nfs/dbraw/zinc/60/56/34/343605634.db2.gz SYPUCIGXKFYJFN-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000119030975 343605635 /nfs/dbraw/zinc/60/56/35/343605635.db2.gz SYPUCIGXKFYJFN-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCCO1)C(C)(C)C ZINC000119108931 343641954 /nfs/dbraw/zinc/64/19/54/343641954.db2.gz ZJCRGTUTUYVDRK-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+]1CCn2nncc2C1 ZINC000574888443 343631640 /nfs/dbraw/zinc/63/16/40/343631640.db2.gz XOQDJHUKUPLSMM-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H](c1ccccc1)[N@H+]1CCn2nncc2C1 ZINC000574888443 343631642 /nfs/dbraw/zinc/63/16/42/343631642.db2.gz XOQDJHUKUPLSMM-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC1(C)C ZINC000620075693 343632966 /nfs/dbraw/zinc/63/29/66/343632966.db2.gz AUJHCXDRUOUGRZ-GFCCVEGCSA-N 1 2 221.304 1.267 20 0 BDADLO Cc1ccc(F)cc1C(=O)NCc1c[nH+]cn1C ZINC000336531361 537800209 /nfs/dbraw/zinc/80/02/09/537800209.db2.gz CWFSEKLGIHBJOA-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC2CCC1CC2 ZINC000380191091 343689916 /nfs/dbraw/zinc/68/99/16/343689916.db2.gz ZNOZOIAVJZVJDD-ILDUYXDCSA-N 1 2 233.315 1.852 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636773723 349837277 /nfs/dbraw/zinc/83/72/77/349837277.db2.gz AQQVWNZFEMWFHQ-NXEZZACHSA-N 1 2 248.330 1.153 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@H](C)O1 ZINC000631301953 343685530 /nfs/dbraw/zinc/68/55/30/343685530.db2.gz XRGSHZVOALGVMK-SCVCMEIPSA-N 1 2 249.314 1.080 20 0 BDADLO Cc1nc(N2CCC[C@H]2c2cn[nH]c2)cc[nH+]1 ZINC000624382260 343743913 /nfs/dbraw/zinc/74/39/13/343743913.db2.gz UXBAVBAKYJLCNF-NSHDSACASA-N 1 2 229.287 1.850 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000380268680 343716682 /nfs/dbraw/zinc/71/66/82/343716682.db2.gz IBGMYSYVYSPBJR-OCAPTIKFSA-N 1 2 234.303 1.160 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000380268680 343716684 /nfs/dbraw/zinc/71/66/84/343716684.db2.gz IBGMYSYVYSPBJR-OCAPTIKFSA-N 1 2 234.303 1.160 20 0 BDADLO c1cn(CCCNc2ncnc3c2CCC3)c[nH+]1 ZINC000061276681 343724665 /nfs/dbraw/zinc/72/46/65/343724665.db2.gz LBWGSODEDOVBGC-UHFFFAOYSA-N 1 2 243.314 1.664 20 0 BDADLO Cc1cnccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584175809 343769282 /nfs/dbraw/zinc/76/92/82/343769282.db2.gz MKSOCINJRYIFSE-LLVKDONJSA-N 1 2 244.298 1.598 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC1CC1)CC2 ZINC000624395333 343752925 /nfs/dbraw/zinc/75/29/25/343752925.db2.gz SBJFWXCYIALFJC-LBPRGKRZSA-N 1 2 247.342 1.622 20 0 BDADLO Cc1cc(CNc2ccc(CO)c[nH+]2)on1 ZINC000631140630 343754517 /nfs/dbraw/zinc/75/45/17/343754517.db2.gz BMNHINYEWPKURX-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]2COC[C@@H]2C1 ZINC000624408778 343758633 /nfs/dbraw/zinc/75/86/33/343758633.db2.gz FAZUBRGHBNIQBN-MNOVXSKESA-N 1 2 234.299 1.563 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H](CCO)C1 ZINC000128579402 349856396 /nfs/dbraw/zinc/85/63/96/349856396.db2.gz YQFNYYNFBLRTPN-NSHDSACASA-N 1 2 236.315 1.689 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1=CCCC1 ZINC000493993564 529897650 /nfs/dbraw/zinc/89/76/50/529897650.db2.gz UZPDJRDQXSWYOU-UHFFFAOYSA-N 1 2 233.315 1.842 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)OC1CCC1 ZINC000497007420 529898016 /nfs/dbraw/zinc/89/80/16/529898016.db2.gz IDHSOCMGRRCULN-UHFFFAOYSA-N 1 2 237.303 1.894 20 0 BDADLO CC(C)n1cc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000066673189 349880031 /nfs/dbraw/zinc/88/00/31/349880031.db2.gz GJQGHJXAZXUAEB-UHFFFAOYSA-N 1 2 247.302 1.689 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000621731157 343879181 /nfs/dbraw/zinc/87/91/81/343879181.db2.gz COVXCLIRNDPURB-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000621731157 343879182 /nfs/dbraw/zinc/87/91/82/343879182.db2.gz COVXCLIRNDPURB-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO OCc1ccc(F)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000625456682 343859090 /nfs/dbraw/zinc/85/90/90/343859090.db2.gz FHJCLCSSPXCYOZ-LLVKDONJSA-N 1 2 227.254 1.862 20 0 BDADLO OCc1ccc(F)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000625456682 343859091 /nfs/dbraw/zinc/85/90/91/343859091.db2.gz FHJCLCSSPXCYOZ-LLVKDONJSA-N 1 2 227.254 1.862 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370966 347010663 /nfs/dbraw/zinc/01/06/63/347010663.db2.gz RNWQWGHVYBDHBI-IINYFYTJSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370966 347010666 /nfs/dbraw/zinc/01/06/66/347010666.db2.gz RNWQWGHVYBDHBI-IINYFYTJSA-N 1 2 247.342 1.977 20 0 BDADLO CCCCc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc[nH+]1 ZINC000631404022 343940400 /nfs/dbraw/zinc/94/04/00/343940400.db2.gz ZZINVADSRJORMV-HOMQSWHASA-N 1 2 248.330 1.495 20 0 BDADLO CCc1nc(C[N@@H+](CCO)[C@H](C)CC)no1 ZINC000309279033 347014466 /nfs/dbraw/zinc/01/44/66/347014466.db2.gz HMJDPWHSMFAFLG-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCc1nc(C[N@H+](CCO)[C@H](C)CC)no1 ZINC000309279033 347014470 /nfs/dbraw/zinc/01/44/70/347014470.db2.gz HMJDPWHSMFAFLG-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ncccc1Cl ZINC000625508331 343914093 /nfs/dbraw/zinc/91/40/93/343914093.db2.gz YMMMFIVCBFUBFU-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ncccc1Cl ZINC000625508331 343914095 /nfs/dbraw/zinc/91/40/95/343914095.db2.gz YMMMFIVCBFUBFU-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CSCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000603222620 349897448 /nfs/dbraw/zinc/89/74/48/349897448.db2.gz KKRWSFPKXCSEHJ-UHFFFAOYSA-N 1 2 237.332 1.428 20 0 BDADLO C[C@]12COC[C@H]1C[N@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704990 537836728 /nfs/dbraw/zinc/83/67/28/537836728.db2.gz ZDNYVSJLQJXOIF-MFKMUULPSA-N 1 2 249.314 1.415 20 0 BDADLO C[C@]12COC[C@H]1C[N@@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704990 537836731 /nfs/dbraw/zinc/83/67/31/537836731.db2.gz ZDNYVSJLQJXOIF-MFKMUULPSA-N 1 2 249.314 1.415 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775109 529952785 /nfs/dbraw/zinc/95/27/85/529952785.db2.gz XQTVDPCOTVLMRO-UHGNHILRSA-N 1 2 249.314 1.042 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1Cc1[nH]cc(C)[nH+]1 ZINC000628119581 343967765 /nfs/dbraw/zinc/96/77/65/343967765.db2.gz AWGKEUMWHOGICH-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC1(C)CCC(C)(C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000625723233 344056637 /nfs/dbraw/zinc/05/66/37/344056637.db2.gz NSZZBLNAZJHIPT-UHFFFAOYSA-N 1 2 238.335 1.911 20 0 BDADLO CC1(C)CCC(C)(C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000625723233 344056638 /nfs/dbraw/zinc/05/66/38/344056638.db2.gz NSZZBLNAZJHIPT-UHFFFAOYSA-N 1 2 238.335 1.911 20 0 BDADLO Cn1nnc(C[N@@H+]2CC(C)(C)CCC2(C)C)n1 ZINC000625723134 344056667 /nfs/dbraw/zinc/05/66/67/344056667.db2.gz KWMYPDCYMMKZDV-UHFFFAOYSA-N 1 2 237.351 1.611 20 0 BDADLO Cn1nnc(C[N@H+]2CC(C)(C)CCC2(C)C)n1 ZINC000625723134 344056668 /nfs/dbraw/zinc/05/66/68/344056668.db2.gz KWMYPDCYMMKZDV-UHFFFAOYSA-N 1 2 237.351 1.611 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ccncc1F ZINC000641289362 362345924 /nfs/dbraw/zinc/34/59/24/362345924.db2.gz YEQTVPSVUKCJSP-SECBINFHSA-N 1 2 220.251 1.340 20 0 BDADLO CCc1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625834907 344088809 /nfs/dbraw/zinc/08/88/09/344088809.db2.gz RGAVFVCGZQXZRY-UHFFFAOYSA-N 1 2 207.277 1.759 20 0 BDADLO CCCCn1nnnc1C[NH+](C1CC1)C1CC1 ZINC000625835629 344089233 /nfs/dbraw/zinc/08/92/33/344089233.db2.gz SKWUZWJFBQCTHK-UHFFFAOYSA-N 1 2 235.335 1.600 20 0 BDADLO Cc1nc(NCc2cc[nH]n2)c2c([nH+]1)CCCC2 ZINC000180427939 347028715 /nfs/dbraw/zinc/02/87/15/347028715.db2.gz BTOKHNVSFIJNQQ-UHFFFAOYSA-N 1 2 243.314 1.999 20 0 BDADLO CCC[C@@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000395210686 344125046 /nfs/dbraw/zinc/12/50/46/344125046.db2.gz PYHAMBQTHKBNDR-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000564915308 344126608 /nfs/dbraw/zinc/12/66/08/344126608.db2.gz GBLYVYOPQSXEJD-GXSJLCMTSA-N 1 2 238.335 1.673 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000564915308 344126619 /nfs/dbraw/zinc/12/66/19/344126619.db2.gz GBLYVYOPQSXEJD-GXSJLCMTSA-N 1 2 238.335 1.673 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)C ZINC000573383839 344135112 /nfs/dbraw/zinc/13/51/12/344135112.db2.gz INGSDFQJECCXFZ-SECBINFHSA-N 1 2 223.320 1.751 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)C ZINC000573383839 344135113 /nfs/dbraw/zinc/13/51/13/344135113.db2.gz INGSDFQJECCXFZ-SECBINFHSA-N 1 2 223.320 1.751 20 0 BDADLO CC(=O)[C@H](C)SCCCN1CC[NH+](C)CC1 ZINC000130946351 344209645 /nfs/dbraw/zinc/20/96/45/344209645.db2.gz GXVJLRFUXWNCLF-LBPRGKRZSA-N 1 2 244.404 1.335 20 0 BDADLO CCCCc1cc(NC[C@H](O)CC)nc[nH+]1 ZINC000631309559 344209878 /nfs/dbraw/zinc/20/98/78/344209878.db2.gz OKZUAGRVWDFAAC-LLVKDONJSA-N 1 2 223.320 1.424 20 0 BDADLO Cc1nn(C)cc1[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641338928 362368323 /nfs/dbraw/zinc/36/83/23/362368323.db2.gz NIYBJOWZTCBWBJ-VIFPVBQESA-N 1 2 246.314 1.789 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000408217611 344253152 /nfs/dbraw/zinc/25/31/52/344253152.db2.gz ZRPLVEDEIXBYAW-AFPNSQJFSA-N 1 2 225.292 1.148 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000408217611 344253155 /nfs/dbraw/zinc/25/31/55/344253155.db2.gz ZRPLVEDEIXBYAW-AFPNSQJFSA-N 1 2 225.292 1.148 20 0 BDADLO CC[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](C)O1 ZINC000641367390 362378477 /nfs/dbraw/zinc/37/84/77/362378477.db2.gz JBNIJQYYDVGALT-ZYHUDNBSSA-N 1 2 236.315 1.578 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1cncs1 ZINC000133231229 344315417 /nfs/dbraw/zinc/31/54/17/344315417.db2.gz HLLDSLGZIIGMQT-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000094687818 344330566 /nfs/dbraw/zinc/33/05/66/344330566.db2.gz MWRCFOSIFOUCOB-LBPRGKRZSA-N 1 2 235.283 1.530 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000094687818 344330568 /nfs/dbraw/zinc/33/05/68/344330568.db2.gz MWRCFOSIFOUCOB-LBPRGKRZSA-N 1 2 235.283 1.530 20 0 BDADLO CC[N@@H+](Cc1ccccn1)C[C@@H](O)C(F)(F)F ZINC000094923440 344332117 /nfs/dbraw/zinc/33/21/17/344332117.db2.gz FFLCCCPAQDBMQQ-SNVBAGLBSA-N 1 2 248.248 1.827 20 0 BDADLO CC[N@H+](Cc1ccccn1)C[C@@H](O)C(F)(F)F ZINC000094923440 344332118 /nfs/dbraw/zinc/33/21/18/344332118.db2.gz FFLCCCPAQDBMQQ-SNVBAGLBSA-N 1 2 248.248 1.827 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H](OC)C1 ZINC000600616416 344336956 /nfs/dbraw/zinc/33/69/56/344336956.db2.gz VITWHXRMTVIWKR-SRVKXCTJSA-N 1 2 243.347 1.731 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cc(C2CC2)ncn1 ZINC000641378660 362383769 /nfs/dbraw/zinc/38/37/69/362383769.db2.gz JFBZDSXRHBDWDE-UHFFFAOYSA-N 1 2 229.287 1.714 20 0 BDADLO CC(C)[C@](C)(O)CNc1cc[nH+]cc1F ZINC000641371210 362380006 /nfs/dbraw/zinc/38/00/06/362380006.db2.gz QJPOUVOOEBZIRF-LLVKDONJSA-N 1 2 212.268 1.462 20 0 BDADLO C[C@H](NC(=O)[C@H]1CC12CCC2)c1[nH+]ccn1C ZINC000620602993 344353195 /nfs/dbraw/zinc/35/31/95/344353195.db2.gz GKGHNGBWHRAASK-VHSXEESVSA-N 1 2 233.315 1.788 20 0 BDADLO CC(C)[C@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604203 344354785 /nfs/dbraw/zinc/35/47/85/344354785.db2.gz PNSYCPJXVNWDAW-SKDRFNHKSA-N 1 2 239.319 1.004 20 0 BDADLO CCC[C@](C)(O)CNc1cc[nH+]cc1F ZINC000641373163 362380693 /nfs/dbraw/zinc/38/06/93/362380693.db2.gz TUNBOARVTIJEKR-NSHDSACASA-N 1 2 212.268 1.606 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000628291649 347047602 /nfs/dbraw/zinc/04/76/02/347047602.db2.gz OFNKMDFNWMXLBT-UTUOFQBUSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000628291649 347047605 /nfs/dbraw/zinc/04/76/05/347047605.db2.gz OFNKMDFNWMXLBT-UTUOFQBUSA-N 1 2 247.342 1.895 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000093050534 344307743 /nfs/dbraw/zinc/30/77/43/344307743.db2.gz QWWGGXCDLIQAQU-GFCCVEGCSA-N 1 2 234.299 1.103 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000093050534 344307745 /nfs/dbraw/zinc/30/77/45/344307745.db2.gz QWWGGXCDLIQAQU-GFCCVEGCSA-N 1 2 234.299 1.103 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)CCO1 ZINC000251808365 344426226 /nfs/dbraw/zinc/42/62/26/344426226.db2.gz YRSCCEHSRDOGSZ-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@H](COC)Nc1cc(CO)cc[nH+]1 ZINC000641387439 362387222 /nfs/dbraw/zinc/38/72/22/362387222.db2.gz RDMOYZMYTGOTTA-SNVBAGLBSA-N 1 2 210.277 1.411 20 0 BDADLO CCOC(=O)c1cncc(-c2c[nH+]c(C)n2C)c1 ZINC000600845558 344381967 /nfs/dbraw/zinc/38/19/67/344381967.db2.gz PEKLSTSYVREIBV-UHFFFAOYSA-N 1 2 245.282 1.967 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1cc(CO)cc[nH+]1 ZINC000641389384 362388591 /nfs/dbraw/zinc/38/85/91/362388591.db2.gz NDYQJSWVWZMSQE-UWVGGRQHSA-N 1 2 224.304 1.393 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1C ZINC000042513862 344443582 /nfs/dbraw/zinc/44/35/82/344443582.db2.gz FKGNNCWPGMILOZ-SNVBAGLBSA-N 1 2 246.314 1.349 20 0 BDADLO CC[C@@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000363770891 344457661 /nfs/dbraw/zinc/45/76/61/344457661.db2.gz VLIMMAAPAOHQFQ-LLVKDONJSA-N 1 2 217.272 1.716 20 0 BDADLO C[C@@H](Cn1cccn1)Nc1cccc[nH+]1 ZINC000042541607 344458771 /nfs/dbraw/zinc/45/87/71/344458771.db2.gz FQPMMSZBYAJXEK-JTQLQIEISA-N 1 2 202.261 1.779 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H]2CCOC2)cs1 ZINC000106883449 344477635 /nfs/dbraw/zinc/47/76/35/344477635.db2.gz ABJFTGVEKXXPFP-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H]2CCOC2)cs1 ZINC000106883449 344477637 /nfs/dbraw/zinc/47/76/37/344477637.db2.gz ABJFTGVEKXXPFP-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CCOC[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641414815 362402596 /nfs/dbraw/zinc/40/25/96/362402596.db2.gz JHJOMIZLOACOJP-LBPRGKRZSA-N 1 2 236.315 1.437 20 0 BDADLO Cc1ccsc1[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000381530010 344517981 /nfs/dbraw/zinc/51/79/81/344517981.db2.gz YNSVAJCWXFORCD-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO CCc1ccc([C@H](C)[NH2+]Cc2nncn2C)o1 ZINC000152359597 344527675 /nfs/dbraw/zinc/52/76/75/344527675.db2.gz OJHYMLOTYLSDNX-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO CCc1ccc([C@@H](C)[NH2+]Cc2nncn2C)o1 ZINC000152359499 344527835 /nfs/dbraw/zinc/52/78/35/344527835.db2.gz OJHYMLOTYLSDNX-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO OCCCCN(c1cc[nH+]cc1F)C1CC1 ZINC000641414602 362405707 /nfs/dbraw/zinc/40/57/07/362405707.db2.gz FQRUZQMDOCKIPE-UHFFFAOYSA-N 1 2 224.279 1.962 20 0 BDADLO COC(=O)[C@@H](C)CSCc1cn(C)c[nH+]1 ZINC000603315227 349912281 /nfs/dbraw/zinc/91/22/81/349912281.db2.gz FGDLLSDGUXDHEG-QMMMGPOBSA-N 1 2 228.317 1.462 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641453246 362427386 /nfs/dbraw/zinc/42/73/86/362427386.db2.gz RPCHORCPIMPIMD-VHSXEESVSA-N 1 2 224.279 1.818 20 0 BDADLO CC[C@H](CCO)CNc1cc[nH+]cc1F ZINC000641428621 362411989 /nfs/dbraw/zinc/41/19/89/362411989.db2.gz MYURBPDNECCOAK-SECBINFHSA-N 1 2 212.268 1.463 20 0 BDADLO Cc1cncnc1N1CC(n2cc[nH+]c2)C1 ZINC000641434954 362417329 /nfs/dbraw/zinc/41/73/29/362417329.db2.gz ZNZOSRWVPNIMIB-UHFFFAOYSA-N 1 2 215.260 1.043 20 0 BDADLO Cc1cncnc1NCCCCn1cc[nH+]c1 ZINC000641481418 362450309 /nfs/dbraw/zinc/45/03/09/362450309.db2.gz YFSCMBOTMGNNPD-UHFFFAOYSA-N 1 2 231.303 1.296 20 0 BDADLO Cc1cn2c(n1)CN(c1cc[nH+]cc1F)CC2 ZINC000641485966 362456507 /nfs/dbraw/zinc/45/65/07/362456507.db2.gz NOKWDRMTORJSPP-UHFFFAOYSA-N 1 2 232.262 1.746 20 0 BDADLO CCO[C@@H]1COCC[C@H]1Nc1cc[nH+]cc1F ZINC000641510592 362469711 /nfs/dbraw/zinc/46/97/11/362469711.db2.gz FBTLVXQCFAVRPU-VXGBXAGGSA-N 1 2 240.278 1.249 20 0 BDADLO CSCCCCNc1cc(CO)cc[nH+]1 ZINC000603295320 349914518 /nfs/dbraw/zinc/91/45/18/349914518.db2.gz WKBYHFSCNBGQEB-UHFFFAOYSA-N 1 2 226.345 1.551 20 0 BDADLO CN(Cc1cccn1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492872551 530005428 /nfs/dbraw/zinc/00/54/28/530005428.db2.gz YZILCPSCIRTHOZ-AATRIKPKSA-N 1 2 244.298 1.420 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000626004973 344667033 /nfs/dbraw/zinc/66/70/33/344667033.db2.gz RUBKUVUOXMYCQT-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000626004973 344667035 /nfs/dbraw/zinc/66/70/35/344667035.db2.gz RUBKUVUOXMYCQT-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO COc1cccc2c1C[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC000626023460 344678541 /nfs/dbraw/zinc/67/85/41/344678541.db2.gz IEIAZZOWIRKYTQ-NSHDSACASA-N 1 2 246.310 1.289 20 0 BDADLO COc1cccc2c1C[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC000626023460 344678543 /nfs/dbraw/zinc/67/85/43/344678543.db2.gz IEIAZZOWIRKYTQ-NSHDSACASA-N 1 2 246.310 1.289 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026352 344679140 /nfs/dbraw/zinc/67/91/40/344679140.db2.gz GWWFQCPQONXLFL-UHFFFAOYSA-N 1 2 248.326 1.229 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626026352 344679142 /nfs/dbraw/zinc/67/91/42/344679142.db2.gz GWWFQCPQONXLFL-UHFFFAOYSA-N 1 2 248.326 1.229 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C2CC2)C1 ZINC000400449561 344695242 /nfs/dbraw/zinc/69/52/42/344695242.db2.gz MSZJPLAQHGTTMX-VIFPVBQESA-N 1 2 234.303 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C2CC2)C1 ZINC000400449561 344695246 /nfs/dbraw/zinc/69/52/46/344695246.db2.gz MSZJPLAQHGTTMX-VIFPVBQESA-N 1 2 234.303 1.304 20 0 BDADLO CN1C[C@@H](C[N@H+](C)Cc2nccs2)OC1=O ZINC000496907265 530028549 /nfs/dbraw/zinc/02/85/49/530028549.db2.gz JCUXRTXMSPVFJX-MRVPVSSYSA-N 1 2 241.316 1.026 20 0 BDADLO CN1C[C@@H](C[N@@H+](C)Cc2nccs2)OC1=O ZINC000496907265 530028550 /nfs/dbraw/zinc/02/85/50/530028550.db2.gz JCUXRTXMSPVFJX-MRVPVSSYSA-N 1 2 241.316 1.026 20 0 BDADLO CC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000075747937 344778989 /nfs/dbraw/zinc/77/89/89/344778989.db2.gz KNTSIQXHTSUSOL-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC1(F)F ZINC000623034546 347070627 /nfs/dbraw/zinc/07/06/27/347070627.db2.gz WRVLRABICKJQHV-MRVPVSSYSA-N 1 2 243.257 1.422 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC[C@@H]1CC1(F)F ZINC000623034546 347070630 /nfs/dbraw/zinc/07/06/30/347070630.db2.gz WRVLRABICKJQHV-MRVPVSSYSA-N 1 2 243.257 1.422 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000583358955 344784063 /nfs/dbraw/zinc/78/40/63/344784063.db2.gz IHNNAHHNUMOJRR-NWDGAFQWSA-N 1 2 231.299 1.732 20 0 BDADLO CCC1(O)CC[NH+](Cc2nc(C)no2)CC1 ZINC000075859462 344786207 /nfs/dbraw/zinc/78/62/07/344786207.db2.gz ATCACTLKDWGVMN-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO CSC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000077037529 344813202 /nfs/dbraw/zinc/81/32/02/344813202.db2.gz KDBAOPCMUFJFCL-ZCFIWIBFSA-N 1 2 213.306 1.199 20 0 BDADLO CCCCN(CC(N)=O)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628145910 344821619 /nfs/dbraw/zinc/82/16/19/344821619.db2.gz YUWCEYGKVWIYPW-UHFFFAOYSA-N 1 2 238.335 1.114 20 0 BDADLO Cc1cocc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000628149050 344835403 /nfs/dbraw/zinc/83/54/03/344835403.db2.gz KVUUXBZDLWPJPK-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC1CC1 ZINC000078251676 344837573 /nfs/dbraw/zinc/83/75/73/344837573.db2.gz NQSCIOGRJWIANA-UHFFFAOYSA-N 1 2 248.330 1.224 20 0 BDADLO CCc1cc(NC[C@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000234167308 537864298 /nfs/dbraw/zinc/86/42/98/537864298.db2.gz BSMCQIOKZCWRMW-GXSJLCMTSA-N 1 2 221.304 1.612 20 0 BDADLO CC[N@H+](CC(=O)NC(C)C)Cc1ccccn1 ZINC000078390837 344859107 /nfs/dbraw/zinc/85/91/07/344859107.db2.gz GGLOOTMPXMFCAF-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO CC[N@@H+](CC(=O)NC(C)C)Cc1ccccn1 ZINC000078390837 344859110 /nfs/dbraw/zinc/85/91/10/344859110.db2.gz GGLOOTMPXMFCAF-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccccn1 ZINC000078471475 344871852 /nfs/dbraw/zinc/87/18/52/344871852.db2.gz ULVSMJJEOHLYQV-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccccn1 ZINC000078471475 344871855 /nfs/dbraw/zinc/87/18/55/344871855.db2.gz ULVSMJJEOHLYQV-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CC[C@](C)(CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000583391105 344876892 /nfs/dbraw/zinc/87/68/92/344876892.db2.gz KRSDHIWRGAZYBS-CYBMUJFWSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)=CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000078587493 344887443 /nfs/dbraw/zinc/88/74/43/344887443.db2.gz QGXDGQQSFMWXAH-UHFFFAOYSA-N 1 2 247.342 1.844 20 0 BDADLO COC(=O)[C@@](C)([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000037957106 344911845 /nfs/dbraw/zinc/91/18/45/344911845.db2.gz LRJBZDHABWBGSV-PWSUYJOCSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1[nH]c(CN2CCSC[C@@H]2C)[nH+]c1C ZINC000628175410 344897944 /nfs/dbraw/zinc/89/79/44/344897944.db2.gz WNKUZFCADDGZGD-QMMMGPOBSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H]2C)[nH]c1C ZINC000628175410 344897946 /nfs/dbraw/zinc/89/79/46/344897946.db2.gz WNKUZFCADDGZGD-QMMMGPOBSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2C)[nH]c1C ZINC000628175410 344897947 /nfs/dbraw/zinc/89/79/47/344897947.db2.gz WNKUZFCADDGZGD-QMMMGPOBSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CCOC(C)(C)C)n1 ZINC000628185915 344935890 /nfs/dbraw/zinc/93/58/90/344935890.db2.gz QLROSKSCJDCIIU-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CCOC(C)(C)C)n1 ZINC000628185915 344935893 /nfs/dbraw/zinc/93/58/93/344935893.db2.gz QLROSKSCJDCIIU-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628178887 344913472 /nfs/dbraw/zinc/91/34/72/344913472.db2.gz HDHHWLPJDKCMFD-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628178887 344913474 /nfs/dbraw/zinc/91/34/74/344913474.db2.gz HDHHWLPJDKCMFD-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153717220 344958887 /nfs/dbraw/zinc/95/88/87/344958887.db2.gz MBMNTULWRNWZLO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)nc1 ZINC000153717220 344958889 /nfs/dbraw/zinc/95/88/89/344958889.db2.gz MBMNTULWRNWZLO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CCOCC2CC2)n1 ZINC000628187770 344939500 /nfs/dbraw/zinc/93/95/00/344939500.db2.gz ZLCZXVYVODPCQO-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CCOCC2CC2)n1 ZINC000628187770 344939505 /nfs/dbraw/zinc/93/95/05/344939505.db2.gz ZLCZXVYVODPCQO-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](OCC(C)C)C2)n1 ZINC000628191031 344944229 /nfs/dbraw/zinc/94/42/29/344944229.db2.gz XRBIMIDKMOQFTP-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](OCC(C)C)C2)n1 ZINC000628191031 344944232 /nfs/dbraw/zinc/94/42/32/344944232.db2.gz XRBIMIDKMOQFTP-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO CC[C@@H](SC)C(=O)NCCCn1cc[nH+]c1 ZINC000123539018 345003841 /nfs/dbraw/zinc/00/38/41/345003841.db2.gz BANRENQTUVEZSQ-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000248118076 345045809 /nfs/dbraw/zinc/04/58/09/345045809.db2.gz TXTLDOFZPLKKFI-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000248118076 345045810 /nfs/dbraw/zinc/04/58/10/345045810.db2.gz TXTLDOFZPLKKFI-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CN(CCOCCO)c1cc[nH+]c2ccncc21 ZINC000425253729 192085015 /nfs/dbraw/zinc/08/50/15/192085015.db2.gz DBNMWOXNOYZZLB-UHFFFAOYSA-N 1 2 247.298 1.075 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCOCC1CCC1 ZINC000574823839 345038170 /nfs/dbraw/zinc/03/81/70/345038170.db2.gz OKLVHUFSPPOBRN-UHFFFAOYSA-N 1 2 235.331 1.744 20 0 BDADLO OCc1cc[nH+]c(NCC2=CCCOC2)c1 ZINC000641600081 362539428 /nfs/dbraw/zinc/53/94/28/362539428.db2.gz WHFKJELBUFQDHQ-UHFFFAOYSA-N 1 2 220.272 1.333 20 0 BDADLO Cc1cncc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000079946422 345063061 /nfs/dbraw/zinc/06/30/61/345063061.db2.gz UKHNJWMATMXBFA-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO CCC[C@H](C)[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641650069 362575337 /nfs/dbraw/zinc/57/53/37/362575337.db2.gz MVNODDJRVCOWJQ-JQWIXIFHSA-N 1 2 238.331 1.783 20 0 BDADLO CCC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000080091556 345097556 /nfs/dbraw/zinc/09/75/56/345097556.db2.gz BQJODHHNHDLAOE-ZETCQYMHSA-N 1 2 225.317 1.827 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155749253 345100960 /nfs/dbraw/zinc/10/09/60/345100960.db2.gz LVXAVDQBSDFDIO-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@]3(CC3(F)F)C2)c1 ZINC000641651362 362578839 /nfs/dbraw/zinc/57/88/39/362578839.db2.gz DPYNMHFLKLRLCF-NSHDSACASA-N 1 2 240.253 1.809 20 0 BDADLO CCOCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000577072737 365804722 /nfs/dbraw/zinc/80/47/22/365804722.db2.gz DIICATRNDXSJDK-UHFFFAOYSA-N 1 2 234.299 1.477 20 0 BDADLO CCOCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000577072737 365804725 /nfs/dbraw/zinc/80/47/25/365804725.db2.gz DIICATRNDXSJDK-UHFFFAOYSA-N 1 2 234.299 1.477 20 0 BDADLO COC[C@@H](CCNc1cc(CO)cc[nH+]1)OC ZINC000641656355 362580216 /nfs/dbraw/zinc/58/02/16/362580216.db2.gz GLINQDNVQPFPQQ-LLVKDONJSA-N 1 2 240.303 1.037 20 0 BDADLO OC[C@@H](Nc1cc[nH+]cc1F)C1CCC1 ZINC000641656928 362581052 /nfs/dbraw/zinc/58/10/52/362581052.db2.gz MQBJSVMUWZMWER-LLVKDONJSA-N 1 2 210.252 1.216 20 0 BDADLO Cc1ccc(CCNc2cc(CO)cc[nH+]2)nc1 ZINC000641626595 362555484 /nfs/dbraw/zinc/55/54/84/362555484.db2.gz LJZHEIWMMTXOCB-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641627321 362556231 /nfs/dbraw/zinc/55/62/31/362556231.db2.gz MUGXPFRCNDZOSJ-KOLCDFICSA-N 1 2 222.288 1.553 20 0 BDADLO O[C@H](CNc1cc[nH+]cc1F)C1CCC1 ZINC000641624704 362556950 /nfs/dbraw/zinc/55/69/50/362556950.db2.gz YZYHXGDELITUAW-LLVKDONJSA-N 1 2 210.252 1.216 20 0 BDADLO CO[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C12CCC2 ZINC000641629246 362558674 /nfs/dbraw/zinc/55/86/74/362558674.db2.gz FIRCSUMBSURXPJ-NEPJUHHUSA-N 1 2 248.326 1.943 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@H]2CC[C@@H](C)O2)no1 ZINC000408310053 345110790 /nfs/dbraw/zinc/11/07/90/345110790.db2.gz POSCJSVDDXRLIS-PSASIEDQSA-N 1 2 239.319 1.770 20 0 BDADLO OCc1cc[nH+]c(NCCC[C@H]2CCOC2)c1 ZINC000641630844 362561521 /nfs/dbraw/zinc/56/15/21/362561521.db2.gz WTLDGVQXWIIZNS-NSHDSACASA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CS1 ZINC000641632086 362563339 /nfs/dbraw/zinc/56/33/39/362563339.db2.gz KRDDVVQCWKWNKB-WPRPVWTQSA-N 1 2 224.329 1.880 20 0 BDADLO OCc1cc[nH+]c(NCCCC2CCC2)c1 ZINC000641658135 362581822 /nfs/dbraw/zinc/58/18/22/362581822.db2.gz CBUUORSNORNGMF-UHFFFAOYSA-N 1 2 220.316 1.988 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]cc2F)CS1 ZINC000641631321 362563448 /nfs/dbraw/zinc/56/34/48/362563448.db2.gz HXAKRVBVFFUPSG-JGVFFNPUSA-N 1 2 212.293 1.949 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156293783 345146925 /nfs/dbraw/zinc/14/69/25/345146925.db2.gz DTZVBFSPMOEPCP-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CC(C)C[C@@H](C(=O)NC(C)C)n1cc[nH+]c1 ZINC000635055841 345230370 /nfs/dbraw/zinc/23/03/70/345230370.db2.gz XHAGQYADNAQQIL-NSHDSACASA-N 1 2 223.320 1.995 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2cccnc2)[nH+]1 ZINC000635065270 345237658 /nfs/dbraw/zinc/23/76/58/345237658.db2.gz HAIOGNMGKRJJPB-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635076148 345241072 /nfs/dbraw/zinc/24/10/72/345241072.db2.gz JTCQKPRQIIBSKQ-NSHDSACASA-N 1 2 223.320 1.997 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2=CCCOC2)[nH+]1 ZINC000561697720 345218350 /nfs/dbraw/zinc/21/83/50/345218350.db2.gz UKWCRTSMTMOYGP-UHFFFAOYSA-N 1 2 244.298 1.447 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCCCOC)[nH+]1 ZINC000635341542 345314202 /nfs/dbraw/zinc/31/42/02/345314202.db2.gz NUWUVCTXYYUDCA-UHFFFAOYSA-N 1 2 239.319 1.057 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ccccn2)[nH+]1 ZINC000635182805 345266588 /nfs/dbraw/zinc/26/65/88/345266588.db2.gz HXGKKDQKWHXFDB-UHFFFAOYSA-N 1 2 230.271 1.548 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635298843 345297128 /nfs/dbraw/zinc/29/71/28/345297128.db2.gz ARKYQKOXCVRQJD-AXTSPUMRSA-N 1 2 219.288 1.285 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635298843 345297133 /nfs/dbraw/zinc/29/71/33/345297133.db2.gz ARKYQKOXCVRQJD-AXTSPUMRSA-N 1 2 219.288 1.285 20 0 BDADLO CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635477486 345387735 /nfs/dbraw/zinc/38/77/35/345387735.db2.gz YZNHPTGWZZMEFV-RKDXNWHRSA-N 1 2 245.286 1.368 20 0 BDADLO CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635477486 345387737 /nfs/dbraw/zinc/38/77/37/345387737.db2.gz YZNHPTGWZZMEFV-RKDXNWHRSA-N 1 2 245.286 1.368 20 0 BDADLO O=C(NC[C@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635423890 345362050 /nfs/dbraw/zinc/36/20/50/345362050.db2.gz HHMQLTFULXNRFI-GMTAPVOTSA-N 1 2 249.314 1.199 20 0 BDADLO O=C(NC[C@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635423890 345362054 /nfs/dbraw/zinc/36/20/54/345362054.db2.gz HHMQLTFULXNRFI-GMTAPVOTSA-N 1 2 249.314 1.199 20 0 BDADLO C[C@H]1CCC[C@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641658453 362583041 /nfs/dbraw/zinc/58/30/41/362583041.db2.gz GGRWFTGFAXTAIY-CMPLNLGQSA-N 1 2 236.315 1.943 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)CCCOC)[nH+]1 ZINC000635431424 345367485 /nfs/dbraw/zinc/36/74/85/345367485.db2.gz LAWBHGUBTPYEPN-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(N)=O ZINC000080638547 345377357 /nfs/dbraw/zinc/37/73/57/345377357.db2.gz DEYCLNXTVVWEBE-UHFFFAOYSA-N 1 2 244.298 1.442 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1C[C@H]1C ZINC000619433777 345384335 /nfs/dbraw/zinc/38/43/35/345384335.db2.gz WJCFHQFHPWHURP-IMSYWVGJSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1C[C@H]1C ZINC000619433777 345384337 /nfs/dbraw/zinc/38/43/37/345384337.db2.gz WJCFHQFHPWHURP-IMSYWVGJSA-N 1 2 215.268 1.228 20 0 BDADLO COCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635467402 345384360 /nfs/dbraw/zinc/38/43/60/345384360.db2.gz RQHUPOGIXUDKFT-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO COCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635467402 345384362 /nfs/dbraw/zinc/38/43/62/345384362.db2.gz RQHUPOGIXUDKFT-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)n[nH]1 ZINC000635513120 345406694 /nfs/dbraw/zinc/40/66/94/345406694.db2.gz WNBKRUJDJCINOI-SNVBAGLBSA-N 1 2 249.318 1.069 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)n[nH]1 ZINC000635513120 345406695 /nfs/dbraw/zinc/40/66/95/345406695.db2.gz WNBKRUJDJCINOI-SNVBAGLBSA-N 1 2 249.318 1.069 20 0 BDADLO Cc1cc(N2CC([C@@H](C)O)C2)nc(C2CC2)[nH+]1 ZINC000641658941 362583116 /nfs/dbraw/zinc/58/31/16/362583116.db2.gz IYZTWBKAQDWLET-SECBINFHSA-N 1 2 233.315 1.479 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCCS1 ZINC000134924170 345426224 /nfs/dbraw/zinc/42/62/24/345426224.db2.gz ZZQVPKZCNQGIGW-ZETCQYMHSA-N 1 2 240.332 1.375 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCCS1 ZINC000134924170 345426225 /nfs/dbraw/zinc/42/62/25/345426225.db2.gz ZZQVPKZCNQGIGW-ZETCQYMHSA-N 1 2 240.332 1.375 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2n[nH]c(C)c2C)[nH+]1 ZINC000635489284 345396108 /nfs/dbraw/zinc/39/61/08/345396108.db2.gz JARPWCGZYFVHAC-UHFFFAOYSA-N 1 2 247.302 1.493 20 0 BDADLO CCCN(C(=O)Cc1[nH]cc(CC)[nH+]1)C1CC1 ZINC000635499011 345402364 /nfs/dbraw/zinc/40/23/64/345402364.db2.gz OVWCXKTYEXWVRB-UHFFFAOYSA-N 1 2 235.331 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cnccc2C)[nH+]1 ZINC000635502199 345402890 /nfs/dbraw/zinc/40/28/90/345402890.db2.gz ZUFGIARLBMCIHH-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641661584 362586275 /nfs/dbraw/zinc/58/62/75/362586275.db2.gz XNDOLARTCZCTCD-PSASIEDQSA-N 1 2 210.252 1.570 20 0 BDADLO Cc1nc(NC(C)(C)c2ncc[nH]2)cc[nH+]1 ZINC000641662558 362586450 /nfs/dbraw/zinc/58/64/50/362586450.db2.gz FUXLPNMTGNNPFH-UHFFFAOYSA-N 1 2 217.276 1.855 20 0 BDADLO O[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)C12CCC2 ZINC000641660866 362587662 /nfs/dbraw/zinc/58/76/62/362587662.db2.gz MPNHUFWKZBVZFN-GHMZBOCLSA-N 1 2 222.263 1.358 20 0 BDADLO Cc1cn2ccc(C(=O)NC3CCC3)cc2[nH+]1 ZINC000635537014 345502740 /nfs/dbraw/zinc/50/27/40/345502740.db2.gz ZGIQUQSEBVEFTR-UHFFFAOYSA-N 1 2 229.283 1.925 20 0 BDADLO OCc1cc[nH+]c(NCC2CCC(O)CC2)c1 ZINC000641666051 362587873 /nfs/dbraw/zinc/58/78/73/362587873.db2.gz UDKSXPODWRSABI-UHFFFAOYSA-N 1 2 236.315 1.537 20 0 BDADLO O[C@H]1C[C@H](Nc2cc[nH+]cc2F)C12CCC2 ZINC000641660868 362588155 /nfs/dbraw/zinc/58/81/55/362588155.db2.gz MPNHUFWKZBVZFN-QWRGUYRKSA-N 1 2 222.263 1.358 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@H]2COC[C@H]2C1 ZINC000641666999 362588525 /nfs/dbraw/zinc/58/85/25/362588525.db2.gz OOADXHMRYOSQFO-NXEZZACHSA-N 1 2 222.263 1.693 20 0 BDADLO O=C(N[C@H]1CCSC1)c1ccc2[nH+]ccn2c1 ZINC000081037871 345458716 /nfs/dbraw/zinc/45/87/16/345458716.db2.gz KHWFYEMNRKYPBM-JTQLQIEISA-N 1 2 247.323 1.570 20 0 BDADLO CC[C@H](CCO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000081004124 345459134 /nfs/dbraw/zinc/45/91/34/345459134.db2.gz MGSKBEWMRLTFDO-SECBINFHSA-N 1 2 234.303 1.839 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](CO)C(C)C)[nH+]1 ZINC000081011499 345461585 /nfs/dbraw/zinc/46/15/85/345461585.db2.gz VWCOEJCARQTYRN-SNVBAGLBSA-N 1 2 234.303 1.695 20 0 BDADLO O=C(C[N@@H+]1CCC12CCC2)NCC(F)(F)F ZINC000081545427 345477952 /nfs/dbraw/zinc/47/79/52/345477952.db2.gz VNUMKABPVINCLF-UHFFFAOYSA-N 1 2 236.237 1.293 20 0 BDADLO O=C(C[N@H+]1CCC12CCC2)NCC(F)(F)F ZINC000081545427 345477957 /nfs/dbraw/zinc/47/79/57/345477957.db2.gz VNUMKABPVINCLF-UHFFFAOYSA-N 1 2 236.237 1.293 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccco1 ZINC000090885553 345578116 /nfs/dbraw/zinc/57/81/16/345578116.db2.gz CTHIDFGRYUCHCX-GXSJLCMTSA-N 1 2 235.287 1.397 20 0 BDADLO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091581523 345599382 /nfs/dbraw/zinc/59/93/82/345599382.db2.gz CQJACWKIZKPJSJ-DTWKUNHWSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091581523 345599386 /nfs/dbraw/zinc/59/93/86/345599386.db2.gz CQJACWKIZKPJSJ-DTWKUNHWSA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594425 345599887 /nfs/dbraw/zinc/59/98/87/345599887.db2.gz ICRULJIWGCCGDS-JTQLQIEISA-N 1 2 238.335 1.499 20 0 BDADLO CC(C)CC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594425 345599892 /nfs/dbraw/zinc/59/98/92/345599892.db2.gz ICRULJIWGCCGDS-JTQLQIEISA-N 1 2 238.335 1.499 20 0 BDADLO CC(C)C[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091626553 345602122 /nfs/dbraw/zinc/60/21/22/345602122.db2.gz ZKJVJCJHSKOXNG-SNVBAGLBSA-N 1 2 238.335 1.499 20 0 BDADLO CC(C)C[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091626553 345602124 /nfs/dbraw/zinc/60/21/24/345602124.db2.gz ZKJVJCJHSKOXNG-SNVBAGLBSA-N 1 2 238.335 1.499 20 0 BDADLO CCc1nn(C)cc1C(=O)Nc1cc[nH+]cc1O ZINC000092738538 345637778 /nfs/dbraw/zinc/63/77/78/345637778.db2.gz CHDJXICWBFBQOC-UHFFFAOYSA-N 1 2 246.270 1.335 20 0 BDADLO COC(=O)C[N@H+](Cc1scnc1C)C(C)C ZINC000093287389 345659995 /nfs/dbraw/zinc/65/99/95/345659995.db2.gz QHUXJJAYWPTGOB-UHFFFAOYSA-N 1 2 242.344 1.835 20 0 BDADLO COC(=O)C[N@@H+](Cc1scnc1C)C(C)C ZINC000093287389 345659997 /nfs/dbraw/zinc/65/99/97/345659997.db2.gz QHUXJJAYWPTGOB-UHFFFAOYSA-N 1 2 242.344 1.835 20 0 BDADLO OCc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000093645600 345663748 /nfs/dbraw/zinc/66/37/48/345663748.db2.gz DKAJRDUZVXPIDA-CYBMUJFWSA-N 1 2 237.299 1.383 20 0 BDADLO OCc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000093645600 345663752 /nfs/dbraw/zinc/66/37/52/345663752.db2.gz DKAJRDUZVXPIDA-CYBMUJFWSA-N 1 2 237.299 1.383 20 0 BDADLO CCc1cc(NCCNc2cccc[nH+]2)ncn1 ZINC000603372448 349935130 /nfs/dbraw/zinc/93/51/30/349935130.db2.gz LCJYEJHGLRRCSE-UHFFFAOYSA-N 1 2 243.314 1.380 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@@H]2C[C@]2(O)C1 ZINC000641713096 362625267 /nfs/dbraw/zinc/62/52/67/362625267.db2.gz LUPRGJXWDUKQNR-ZANVPECISA-N 1 2 229.283 1.144 20 0 BDADLO Cc1cc(NCC2CSC2)nc(C2CC2)[nH+]1 ZINC000641681776 362604120 /nfs/dbraw/zinc/60/41/20/362604120.db2.gz GGTDXVIOAXXIAJ-UHFFFAOYSA-N 1 2 235.356 1.859 20 0 BDADLO c1cn(CC2CCCC2)c(CN2CCOCC2)[nH+]1 ZINC000641726968 362646784 /nfs/dbraw/zinc/64/67/84/362646784.db2.gz VVLOEVDYAMTDLB-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO CCN1CC[N@H+](Cc2ccccc2)CC1=O ZINC000114866191 345676458 /nfs/dbraw/zinc/67/64/58/345676458.db2.gz QAUMYTBICJDQAN-UHFFFAOYSA-N 1 2 218.300 1.351 20 0 BDADLO CCN1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000114866191 345676460 /nfs/dbraw/zinc/67/64/60/345676460.db2.gz QAUMYTBICJDQAN-UHFFFAOYSA-N 1 2 218.300 1.351 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1C[C@@H]2C[C@]2(O)C1 ZINC000641714214 362629899 /nfs/dbraw/zinc/62/98/99/362629899.db2.gz WNTUGQIEXZNLEL-SDBXPKJASA-N 1 2 247.273 1.283 20 0 BDADLO COc1cnn(Cc2[nH+]ccn2C(F)F)c1 ZINC000641725681 362641259 /nfs/dbraw/zinc/64/12/59/362641259.db2.gz KZAKWFPONWWDSV-UHFFFAOYSA-N 1 2 228.202 1.532 20 0 BDADLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032247826 345759569 /nfs/dbraw/zinc/75/95/69/345759569.db2.gz JARCELFZNGRBJT-CQSZACIVSA-N 1 2 248.326 1.024 20 0 BDADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032247826 345759570 /nfs/dbraw/zinc/75/95/70/345759570.db2.gz JARCELFZNGRBJT-CQSZACIVSA-N 1 2 248.326 1.024 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000139971028 345699123 /nfs/dbraw/zinc/69/91/23/345699123.db2.gz VJUGODGMYBBPDL-AWEZNQCLSA-N 1 2 245.322 1.867 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000139971028 345699125 /nfs/dbraw/zinc/69/91/25/345699125.db2.gz VJUGODGMYBBPDL-AWEZNQCLSA-N 1 2 245.322 1.867 20 0 BDADLO C[C@@H](CC(C)(C)O)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622642134 345713989 /nfs/dbraw/zinc/71/39/89/345713989.db2.gz SONBVRRPMNXYSO-VIFPVBQESA-N 1 2 239.319 1.008 20 0 BDADLO CC(C)(C)OC(=O)NCCCNc1c[nH]c[nH+]1 ZINC000201022528 345728906 /nfs/dbraw/zinc/72/89/06/345728906.db2.gz VFVLLHITGLYFDU-UHFFFAOYSA-N 1 2 240.307 1.736 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCC(C)(F)F ZINC000418940293 192090717 /nfs/dbraw/zinc/09/07/17/192090717.db2.gz IRUMMKFYZDRDQJ-UHFFFAOYSA-N 1 2 241.245 1.913 20 0 BDADLO CC(=O)c1cnc(NC(=O)[C@@H](C)[NH+](C)C)s1 ZINC000635576515 345851941 /nfs/dbraw/zinc/85/19/41/345851941.db2.gz KVDSMFIAYXTVSZ-ZCFIWIBFSA-N 1 2 241.316 1.234 20 0 BDADLO Fc1ccc2c(c1)OCC[N@H+]([C@H]1CCOC1)C2 ZINC000626153219 345836585 /nfs/dbraw/zinc/83/65/85/345836585.db2.gz ABUBNIDPOJFVDU-LBPRGKRZSA-N 1 2 237.274 1.809 20 0 BDADLO Fc1ccc2c(c1)OCC[N@@H+]([C@H]1CCOC1)C2 ZINC000626153219 345836589 /nfs/dbraw/zinc/83/65/89/345836589.db2.gz ABUBNIDPOJFVDU-LBPRGKRZSA-N 1 2 237.274 1.809 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@H](C)C[C@@H]2C)[nH+]1 ZINC000635595087 345881564 /nfs/dbraw/zinc/88/15/64/345881564.db2.gz CHEZPSHUONLIDD-ZJUUUORDSA-N 1 2 235.331 1.772 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635595866 345881857 /nfs/dbraw/zinc/88/18/57/345881857.db2.gz GMZIXIQEZDLZND-LNFKQOIKSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635595866 345881863 /nfs/dbraw/zinc/88/18/63/345881863.db2.gz GMZIXIQEZDLZND-LNFKQOIKSA-N 1 2 233.315 1.770 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](CC)COC)[nH+]1 ZINC000635591816 345884834 /nfs/dbraw/zinc/88/48/34/345884834.db2.gz WTGDIERTFBSDTL-JTQLQIEISA-N 1 2 239.319 1.056 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@H]2C)[nH+]1 ZINC000635628090 345901981 /nfs/dbraw/zinc/90/19/81/345901981.db2.gz GIJVDPQKHRJYKP-SECBINFHSA-N 1 2 221.304 1.526 20 0 BDADLO CO[C@@H]1C[NH+](Cc2ccncc2F)C[C@H]1OC ZINC000449286425 201859024 /nfs/dbraw/zinc/85/90/24/201859024.db2.gz UBZLAIFVQWHPJR-VXGBXAGGSA-N 1 2 240.278 1.066 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1cc[nH]c1 ZINC000136183221 345953596 /nfs/dbraw/zinc/95/35/96/345953596.db2.gz KQUHWDDXTGIWAN-UHFFFAOYSA-N 1 2 244.298 1.642 20 0 BDADLO CC[C@@H]1CCCCN1c1cc(N)nc[nH+]1 ZINC000087808990 345942178 /nfs/dbraw/zinc/94/21/78/345942178.db2.gz MCMWJIXLWILAMI-SECBINFHSA-N 1 2 206.293 1.828 20 0 BDADLO CCOC(=O)CCSCc1[nH+]ccn1C ZINC000601096500 346024141 /nfs/dbraw/zinc/02/41/41/346024141.db2.gz VLXNAIAFOODRTK-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2(C3CC3)CC2)[nH+]1 ZINC000635726291 346037013 /nfs/dbraw/zinc/03/70/13/346037013.db2.gz ASXZUPDMCGYFRR-UHFFFAOYSA-N 1 2 247.342 1.821 20 0 BDADLO Cc1nc(N[C@@H]2CCN(CC(F)F)C2)cc[nH+]1 ZINC000419026940 192095391 /nfs/dbraw/zinc/09/53/91/192095391.db2.gz VAACZAJJPZYJGJ-SECBINFHSA-N 1 2 242.273 1.536 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C)CCC2)[nH+]1 ZINC000635731645 346043121 /nfs/dbraw/zinc/04/31/21/346043121.db2.gz BPUGZZPBVXNITO-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO O=C(NCCc1ccc[nH]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635747889 346047317 /nfs/dbraw/zinc/04/73/17/346047317.db2.gz ZNWAJXHJWKPLJU-GHMZBOCLSA-N 1 2 244.298 1.200 20 0 BDADLO O=C(NCCc1ccc[nH]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635747889 346047319 /nfs/dbraw/zinc/04/73/19/346047319.db2.gz ZNWAJXHJWKPLJU-GHMZBOCLSA-N 1 2 244.298 1.200 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCCO1 ZINC000635842946 346085361 /nfs/dbraw/zinc/08/53/61/346085361.db2.gz SSMAPMTXNMRSPK-NXEZZACHSA-N 1 2 235.287 1.457 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCCO1 ZINC000635842946 346085364 /nfs/dbraw/zinc/08/53/64/346085364.db2.gz SSMAPMTXNMRSPK-NXEZZACHSA-N 1 2 235.287 1.457 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cncc(F)c2)[nH+]1 ZINC000635891548 346103518 /nfs/dbraw/zinc/10/35/18/346103518.db2.gz MHJSMWSRUUAIBX-UHFFFAOYSA-N 1 2 248.261 1.687 20 0 BDADLO CCc1c[nH]c(CC(=O)N(CC)CC(F)F)[nH+]1 ZINC000635797471 346066216 /nfs/dbraw/zinc/06/62/16/346066216.db2.gz RDJDXXZRYVVSJM-UHFFFAOYSA-N 1 2 245.273 1.628 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H](CC)OC)[nH+]1 ZINC000635946503 346119410 /nfs/dbraw/zinc/11/94/10/346119410.db2.gz RSNIHJBFQBKZPL-JTQLQIEISA-N 1 2 239.319 1.056 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2occc2C)[nH+]1 ZINC000635954961 346124550 /nfs/dbraw/zinc/12/45/50/346124550.db2.gz QFGUVWHYLRPFTQ-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000635996063 346145079 /nfs/dbraw/zinc/14/50/79/346145079.db2.gz VLOFLEQEWUGJCR-APPZFPTMSA-N 1 2 245.286 1.350 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635982171 346146692 /nfs/dbraw/zinc/14/66/92/346146692.db2.gz DCQPUWFBIZLHST-HIHHVFROSA-N 1 2 219.288 1.596 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635982171 346146694 /nfs/dbraw/zinc/14/66/94/346146694.db2.gz DCQPUWFBIZLHST-HIHHVFROSA-N 1 2 219.288 1.596 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]1C1CC1 ZINC000635981755 346147184 /nfs/dbraw/zinc/14/71/84/346147184.db2.gz WXICDOBNVFCIAZ-FOGDFJRCSA-N 1 2 231.299 1.524 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]1C1CC1 ZINC000635981755 346147187 /nfs/dbraw/zinc/14/71/87/346147187.db2.gz WXICDOBNVFCIAZ-FOGDFJRCSA-N 1 2 231.299 1.524 20 0 BDADLO CC(C)(NC(=O)c1coc(CO)c1)c1[nH]cc[nH+]1 ZINC000635999105 346149972 /nfs/dbraw/zinc/14/99/72/346149972.db2.gz SKWMSTJVLVHDTC-UHFFFAOYSA-N 1 2 249.270 1.160 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2C[C@H]2C(C)C)[nH+]1 ZINC000635998157 346150170 /nfs/dbraw/zinc/15/01/70/346150170.db2.gz OFUWJHAHKNRZNA-JQWIXIFHSA-N 1 2 249.358 1.923 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000636020522 346158545 /nfs/dbraw/zinc/15/85/45/346158545.db2.gz UXBAHTWRYMKVMH-ADEWGFFLSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1[nH]c(CN2CC[C@H](O)[C@H](C)C2)[nH+]c1C ZINC000628242189 346201884 /nfs/dbraw/zinc/20/18/84/346201884.db2.gz UZLUNDCZSWHCPA-KCJUWKMLSA-N 1 2 223.320 1.229 20 0 BDADLO CO[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[C@H]1C ZINC000628244733 346209456 /nfs/dbraw/zinc/20/94/56/346209456.db2.gz UDMNUIUBTAVNRA-BXKDBHETSA-N 1 2 237.347 1.883 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)o1 ZINC000628244748 346209469 /nfs/dbraw/zinc/20/94/69/346209469.db2.gz UNAMPFYKZXEUDD-GUBZILKMSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)o1 ZINC000628244748 346209471 /nfs/dbraw/zinc/20/94/71/346209471.db2.gz UNAMPFYKZXEUDD-GUBZILKMSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cn2c(n1)CN(Cc1[nH]c(C)c(C)[nH+]1)CC2 ZINC000628236584 346191458 /nfs/dbraw/zinc/19/14/58/346191458.db2.gz IDLAARGEDQHAFR-UHFFFAOYSA-N 1 2 245.330 1.547 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@@H](OC(F)F)C2)[nH+]1 ZINC000628236977 346192041 /nfs/dbraw/zinc/19/20/41/346192041.db2.gz XEODEBWMVKFXBU-SECBINFHSA-N 1 2 245.273 1.922 20 0 BDADLO CCN(Cc1cn(C)nn1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628237015 346192054 /nfs/dbraw/zinc/19/20/54/346192054.db2.gz YHHPHKKNZOZCBP-UHFFFAOYSA-N 1 2 248.334 1.177 20 0 BDADLO CCc1cc(NC[C@H](O)C2CCCCC2)nc[nH+]1 ZINC000603390066 349943205 /nfs/dbraw/zinc/94/32/05/349943205.db2.gz ABNSLRUESBBDGN-ZDUSSCGKSA-N 1 2 249.358 1.814 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ncccc2N(C)C)o1 ZINC000628285110 346297076 /nfs/dbraw/zinc/29/70/76/346297076.db2.gz ITIACFACVYXIBX-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCC(F)F ZINC000684436263 488313010 /nfs/dbraw/zinc/31/30/10/488313010.db2.gz RKOUSAMEBWYYTH-UHFFFAOYSA-N 1 2 214.215 1.796 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC12CC2 ZINC000636101511 346319619 /nfs/dbraw/zinc/31/96/19/346319619.db2.gz ILVWVNORGBEEQA-MWLCHTKSSA-N 1 2 231.299 1.114 20 0 BDADLO Cc1[nH]c(CNc2cccc3n[nH]nc32)[nH+]c1C ZINC000641757832 362686616 /nfs/dbraw/zinc/68/66/16/362686616.db2.gz GLGGZIBCCUYCCN-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO Cc1[nH]c(CNc2cccc3[nH]nnc32)[nH+]c1C ZINC000641757832 362686620 /nfs/dbraw/zinc/68/66/20/362686620.db2.gz GLGGZIBCCUYCCN-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO Cc1cn2ccc(C(=O)NC3(C)COC3)cc2[nH+]1 ZINC000636312410 346388824 /nfs/dbraw/zinc/38/88/24/346388824.db2.gz NELBSNSLNYJGEQ-UHFFFAOYSA-N 1 2 245.282 1.161 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+][C@H](C)C(=O)OC)OC ZINC000381795725 346404903 /nfs/dbraw/zinc/40/49/03/346404903.db2.gz OLORGBGFKXLMAO-AEJSXWLSSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)c1ccon1 ZINC000574927487 346415915 /nfs/dbraw/zinc/41/59/15/346415915.db2.gz LHGGZIRYHMSMNW-MRVPVSSYSA-N 1 2 218.260 1.676 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000577089627 365810660 /nfs/dbraw/zinc/81/06/60/365810660.db2.gz AYSFLCQULLMIEA-CABZTGNLSA-N 1 2 237.303 1.026 20 0 BDADLO CCn1cc[nH+]c1CNc1ccc2ncnn2c1 ZINC000641793778 362733100 /nfs/dbraw/zinc/73/31/00/362733100.db2.gz MVPJQXGWPHGKLV-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BDADLO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)C(F)F ZINC000641791862 362733337 /nfs/dbraw/zinc/73/33/37/362733337.db2.gz OFRPIBXJYKXZLE-SFYZADRCSA-N 1 2 215.247 1.651 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ncn(C)n1)OC ZINC000623015078 346539998 /nfs/dbraw/zinc/53/99/98/346539998.db2.gz BGIDUAKSPIWVOS-GARJFASQSA-N 1 2 240.351 1.527 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000186907053 346545606 /nfs/dbraw/zinc/54/56/06/346545606.db2.gz HSYQVZLHBDTUPC-GHMZBOCLSA-N 1 2 235.331 1.658 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)NC1CCCCC1 ZINC000636446005 346567253 /nfs/dbraw/zinc/56/72/53/346567253.db2.gz CBYJTRNZRKMHJZ-NSHDSACASA-N 1 2 248.330 1.440 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1=CCOCC1 ZINC000187981647 346665482 /nfs/dbraw/zinc/66/54/82/346665482.db2.gz VSDJWLMVBWAOMK-UHFFFAOYSA-N 1 2 247.298 1.433 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+](C)C(C)C)nn1 ZINC000669380126 537985865 /nfs/dbraw/zinc/98/58/65/537985865.db2.gz PQYLRWZDGGYZBZ-UHFFFAOYSA-N 1 2 224.308 1.097 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)OCC ZINC000037957760 346712006 /nfs/dbraw/zinc/71/20/06/346712006.db2.gz VJMACQHYRGAGJJ-QWRGUYRKSA-N 1 2 229.320 1.487 20 0 BDADLO Cn1nccc1C[NH2+]Cc1n[nH]c2ccccc21 ZINC000589641668 346721744 /nfs/dbraw/zinc/72/17/44/346721744.db2.gz VIYUVZHSDMLKJD-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(CCO)cc1 ZINC000311234758 259393371 /nfs/dbraw/zinc/39/33/71/259393371.db2.gz SMYWYAGICJZAOF-UHFFFAOYSA-N 1 2 245.282 1.057 20 0 BDADLO CC(C)(C)c1nc(NCC2(CO)CC2)cc[nH+]1 ZINC000301558738 187371681 /nfs/dbraw/zinc/37/16/81/187371681.db2.gz HZGJLCFPSDFFOE-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO CC(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005589 346762234 /nfs/dbraw/zinc/76/22/34/346762234.db2.gz FNAPCXVAGTXLCB-UHFFFAOYSA-N 1 2 220.272 1.327 20 0 BDADLO Cc1cc(N[C@@H]2CCN(C(C)C)C2=O)nc[nH+]1 ZINC000301298582 187371269 /nfs/dbraw/zinc/37/12/69/187371269.db2.gz QAYFNUUOHZEYQK-SNVBAGLBSA-N 1 2 234.303 1.206 20 0 BDADLO CC(=O)CCn1cc(C[N@H+](C)C(C)C)nn1 ZINC000669380126 537985873 /nfs/dbraw/zinc/98/58/73/537985873.db2.gz PQYLRWZDGGYZBZ-UHFFFAOYSA-N 1 2 224.308 1.097 20 0 BDADLO Cc1cccc([C@H](C)[N@@H+]2CCNC(=O)C2)c1 ZINC000075592834 179193732 /nfs/dbraw/zinc/19/37/32/179193732.db2.gz ZISLAOUFOAYTJP-NSHDSACASA-N 1 2 218.300 1.488 20 0 BDADLO Cc1cccc([C@H](C)[N@H+]2CCNC(=O)C2)c1 ZINC000075592834 179193734 /nfs/dbraw/zinc/19/37/34/179193734.db2.gz ZISLAOUFOAYTJP-NSHDSACASA-N 1 2 218.300 1.488 20 0 BDADLO c1[nH]cc(N[C@@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000581469100 347239809 /nfs/dbraw/zinc/23/98/09/347239809.db2.gz QINCJVGSKCRWHU-SECBINFHSA-N 1 2 207.277 1.923 20 0 BDADLO CCC[C@@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000641960992 362812854 /nfs/dbraw/zinc/81/28/54/362812854.db2.gz FJCGGEMUNKFEEK-SNVBAGLBSA-N 1 2 236.319 1.597 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335886805 347358899 /nfs/dbraw/zinc/35/88/99/347358899.db2.gz ZPJDGJJOSWNGKC-VHSXEESVSA-N 1 2 233.315 1.360 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000616921253 347450077 /nfs/dbraw/zinc/45/00/77/347450077.db2.gz KRFPDTMRZGBFCM-NWDGAFQWSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000616921253 347450080 /nfs/dbraw/zinc/45/00/80/347450080.db2.gz KRFPDTMRZGBFCM-NWDGAFQWSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)CC1(F)F ZINC000616920975 347450351 /nfs/dbraw/zinc/45/03/51/347450351.db2.gz AHTIKDPSIIETBX-VIFPVBQESA-N 1 2 229.230 1.413 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)CC1(F)F ZINC000616920975 347450352 /nfs/dbraw/zinc/45/03/52/347450352.db2.gz AHTIKDPSIIETBX-VIFPVBQESA-N 1 2 229.230 1.413 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000616925645 347457582 /nfs/dbraw/zinc/45/75/82/347457582.db2.gz MAYFXTMGXRNIJH-GDNZZTSVSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000616925645 347457584 /nfs/dbraw/zinc/45/75/84/347457584.db2.gz MAYFXTMGXRNIJH-GDNZZTSVSA-N 1 2 233.315 1.804 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000616921798 347451306 /nfs/dbraw/zinc/45/13/06/347451306.db2.gz CRXGPTSYKNSKEV-SECBINFHSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000616921798 347451308 /nfs/dbraw/zinc/45/13/08/347451308.db2.gz CRXGPTSYKNSKEV-SECBINFHSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(C)F ZINC000618413123 347420450 /nfs/dbraw/zinc/42/04/50/347420450.db2.gz SQLYXOIROHZLND-VIFPVBQESA-N 1 2 241.310 1.843 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(C)F ZINC000618413123 347420453 /nfs/dbraw/zinc/42/04/53/347420453.db2.gz SQLYXOIROHZLND-VIFPVBQESA-N 1 2 241.310 1.843 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616229780 347427838 /nfs/dbraw/zinc/42/78/38/347427838.db2.gz WVHRMXSCGNIQOX-JBLDHEPKSA-N 1 2 247.342 1.675 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616229780 347427840 /nfs/dbraw/zinc/42/78/40/347427840.db2.gz WVHRMXSCGNIQOX-JBLDHEPKSA-N 1 2 247.342 1.675 20 0 BDADLO COC[C@@](C)([NH2+]C1CCCC1)C(=O)OC ZINC000053199356 347438546 /nfs/dbraw/zinc/43/85/46/347438546.db2.gz QUQPJVCDQKJBFZ-LLVKDONJSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000020307194 347440513 /nfs/dbraw/zinc/44/05/13/347440513.db2.gz MFBMOTNEIFMZDA-UHFFFAOYSA-N 1 2 211.236 1.431 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000020307194 347440516 /nfs/dbraw/zinc/44/05/16/347440516.db2.gz MFBMOTNEIFMZDA-UHFFFAOYSA-N 1 2 211.236 1.431 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000020307193 347440828 /nfs/dbraw/zinc/44/08/28/347440828.db2.gz YTEWIDQQSQZEQC-UHFFFAOYSA-N 1 2 207.273 1.600 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000020307193 347440830 /nfs/dbraw/zinc/44/08/30/347440830.db2.gz YTEWIDQQSQZEQC-UHFFFAOYSA-N 1 2 207.273 1.600 20 0 BDADLO CCc1nc(C)c(C(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616928517 347495039 /nfs/dbraw/zinc/49/50/39/347495039.db2.gz CUCYSWDHNDEPAK-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CCc1nc(C)c(C(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616928517 347495042 /nfs/dbraw/zinc/49/50/42/347495042.db2.gz CUCYSWDHNDEPAK-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1conc1C1CC1 ZINC000616929075 347495528 /nfs/dbraw/zinc/49/55/28/347495528.db2.gz SAVGYFFEBVHSNY-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1conc1C1CC1 ZINC000616929075 347495529 /nfs/dbraw/zinc/49/55/29/347495529.db2.gz SAVGYFFEBVHSNY-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590730377 347497388 /nfs/dbraw/zinc/49/73/88/347497388.db2.gz IWRGHIRFXIMBDB-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C(F)(F)F ZINC000616925945 347457915 /nfs/dbraw/zinc/45/79/15/347457915.db2.gz WOXRBABCWVFFDL-LURJTMIESA-N 1 2 235.209 1.567 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000616925945 347457916 /nfs/dbraw/zinc/45/79/16/347457916.db2.gz WOXRBABCWVFFDL-LURJTMIESA-N 1 2 235.209 1.567 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927185 347460544 /nfs/dbraw/zinc/46/05/44/347460544.db2.gz CJVNBHYMFFWAGE-MNOVXSKESA-N 1 2 221.304 1.660 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927185 347460548 /nfs/dbraw/zinc/46/05/48/347460548.db2.gz CJVNBHYMFFWAGE-MNOVXSKESA-N 1 2 221.304 1.660 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccc(C)cn1 ZINC000590754361 347505266 /nfs/dbraw/zinc/50/52/66/347505266.db2.gz ALZVZGPCQRINQV-CYBMUJFWSA-N 1 2 248.326 1.773 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754361 347505268 /nfs/dbraw/zinc/50/52/68/347505268.db2.gz ALZVZGPCQRINQV-CYBMUJFWSA-N 1 2 248.326 1.773 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C[C@@H]1C ZINC000451552880 323150178 /nfs/dbraw/zinc/15/01/78/323150178.db2.gz ZGUPAIBUEBPXCB-ONGXEEELSA-N 1 2 238.335 1.360 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C[C@@H]1C ZINC000451552880 323150179 /nfs/dbraw/zinc/15/01/79/323150179.db2.gz ZGUPAIBUEBPXCB-ONGXEEELSA-N 1 2 238.335 1.360 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)s1)[C@H](C)CO ZINC000528504321 323150531 /nfs/dbraw/zinc/15/05/31/323150531.db2.gz FRUUSRLIOTZTJV-MRVPVSSYSA-N 1 2 241.360 1.618 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)s1)[C@H](C)CO ZINC000528504321 323150532 /nfs/dbraw/zinc/15/05/32/323150532.db2.gz FRUUSRLIOTZTJV-MRVPVSSYSA-N 1 2 241.360 1.618 20 0 BDADLO C[C@@H](O)C[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000590954273 347594195 /nfs/dbraw/zinc/59/41/95/347594195.db2.gz ADPYIYIVWWDEQD-SNVBAGLBSA-N 1 2 243.347 1.611 20 0 BDADLO COC(=O)c1coc(C[NH+]2CC(C(F)F)C2)c1 ZINC000590968990 347596879 /nfs/dbraw/zinc/59/68/79/347596879.db2.gz YFADUTYAOUFPLY-UHFFFAOYSA-N 1 2 245.225 1.763 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1cocn1 ZINC000591441071 347662031 /nfs/dbraw/zinc/66/20/31/347662031.db2.gz VYDDTLPGNNDMLE-UHFFFAOYSA-N 1 2 234.259 1.081 20 0 BDADLO CCC[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493180653 347607341 /nfs/dbraw/zinc/60/73/41/347607341.db2.gz ANGXAYPDSMROKD-PORFMDCZSA-N 1 2 237.303 1.354 20 0 BDADLO CCc1cc(N2CC(C)(C(=O)OC)C2)nc[nH+]1 ZINC000591830591 347702479 /nfs/dbraw/zinc/70/24/79/347702479.db2.gz RZEVBJYYCKQIPY-UHFFFAOYSA-N 1 2 235.287 1.038 20 0 BDADLO Cc1ccccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279251453 179278517 /nfs/dbraw/zinc/27/85/17/179278517.db2.gz TVTCMQDLTIGHGL-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000010809793 179278768 /nfs/dbraw/zinc/27/87/68/179278768.db2.gz JVYNPCPTONSHQC-UHFFFAOYSA-N 1 2 229.283 1.508 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](CC(C)C)OC ZINC000419185511 192108194 /nfs/dbraw/zinc/10/81/94/192108194.db2.gz HBEIBUNQTDZGOS-NSHDSACASA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](CC(C)C)OC ZINC000419185511 192108195 /nfs/dbraw/zinc/10/81/95/192108195.db2.gz HBEIBUNQTDZGOS-NSHDSACASA-N 1 2 231.336 1.542 20 0 BDADLO CC[C@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000419231246 192108013 /nfs/dbraw/zinc/10/80/13/192108013.db2.gz JMHMPBHWNBCZSN-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000419231246 192108015 /nfs/dbraw/zinc/10/80/15/192108015.db2.gz JMHMPBHWNBCZSN-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CCn1cc[nH+]c1C=CC(=O)Nc1nc(C)c[nH]1 ZINC000493364368 347762866 /nfs/dbraw/zinc/76/28/66/347762866.db2.gz DGXOUGPIJUZVRT-SNAWJCMRSA-N 1 2 245.286 1.586 20 0 BDADLO Cc1ccccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000275806141 179283750 /nfs/dbraw/zinc/28/37/50/179283750.db2.gz KUEHIYQKHVNTBX-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000592398935 347777229 /nfs/dbraw/zinc/77/72/29/347777229.db2.gz DBOUMBSAHXSKFS-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H](CO)CC1CCC1 ZINC000493348724 347731418 /nfs/dbraw/zinc/73/14/18/347731418.db2.gz FVNQXXRBQSUPQE-SGUJLRQBSA-N 1 2 249.314 1.090 20 0 BDADLO CC(C)=CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000360203193 187381110 /nfs/dbraw/zinc/38/11/10/187381110.db2.gz ODJJWIPQNCLHCU-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO CC[N@H+](CCSC)Cc1nnc(C)o1 ZINC000592199005 347750611 /nfs/dbraw/zinc/75/06/11/347750611.db2.gz OMMJKGRNWIJYSY-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CC[N@@H+](CCSC)Cc1nnc(C)o1 ZINC000592199005 347750613 /nfs/dbraw/zinc/75/06/13/347750613.db2.gz OMMJKGRNWIJYSY-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CCc1nnc(C[N@H+](CC)CCSC)o1 ZINC000592199492 347751722 /nfs/dbraw/zinc/75/17/22/347751722.db2.gz PVJSVNDVTOBTMM-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1nnc(C[N@@H+](CC)CCSC)o1 ZINC000592199492 347751724 /nfs/dbraw/zinc/75/17/24/347751724.db2.gz PVJSVNDVTOBTMM-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO Cn1ccc(/C=C\C(=O)NCc2c[nH+]cn2C)c1 ZINC000493403073 347788417 /nfs/dbraw/zinc/78/84/17/347788417.db2.gz RYGYKEZZQHXFLZ-ARJAWSKDSA-N 1 2 244.298 1.088 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000593082797 347851555 /nfs/dbraw/zinc/85/15/55/347851555.db2.gz XIUBZWZCVJXKCD-SECBINFHSA-N 1 2 211.305 1.860 20 0 BDADLO O=C1[C@H]([N@H+]2CC=CCC2)CCN1CC(F)(F)F ZINC000679322392 490113896 /nfs/dbraw/zinc/11/38/96/490113896.db2.gz HXWVACAZJVATDO-SECBINFHSA-N 1 2 248.248 1.412 20 0 BDADLO O=C1[C@H]([N@@H+]2CC=CCC2)CCN1CC(F)(F)F ZINC000679322392 490113903 /nfs/dbraw/zinc/11/39/03/490113903.db2.gz HXWVACAZJVATDO-SECBINFHSA-N 1 2 248.248 1.412 20 0 BDADLO COc1c(C)[nH+]cnc1NCCCSC ZINC000594551797 348068501 /nfs/dbraw/zinc/06/85/01/348068501.db2.gz IFCGTPBHSPTYJR-UHFFFAOYSA-N 1 2 227.333 1.381 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000371874572 187385901 /nfs/dbraw/zinc/38/59/01/187385901.db2.gz NVOKDPJFGYUKGB-SECBINFHSA-N 1 2 225.292 1.368 20 0 BDADLO CC(C)(O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000371874572 187385903 /nfs/dbraw/zinc/38/59/03/187385903.db2.gz NVOKDPJFGYUKGB-SECBINFHSA-N 1 2 225.292 1.368 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)c1ccccn1)C1CC1 ZINC000594712971 348104829 /nfs/dbraw/zinc/10/48/29/348104829.db2.gz XLGNLHSAWGYOLB-ZWNOBZJWSA-N 1 2 248.326 1.726 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)c1ccccn1)C1CC1 ZINC000594712968 348104942 /nfs/dbraw/zinc/10/49/42/348104942.db2.gz XLGNLHSAWGYOLB-GWCFXTLKSA-N 1 2 248.326 1.726 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)C(=O)OC ZINC000594723469 348107617 /nfs/dbraw/zinc/10/76/17/348107617.db2.gz BMUDECFUBJIAAE-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000594725433 348108572 /nfs/dbraw/zinc/10/85/72/348108572.db2.gz KQGDNTZNQKRDGH-SCZZXKLOSA-N 1 2 233.258 1.573 20 0 BDADLO COC(=O)Cc1cccc(NC[C@@H]2C[C@@H]2C)[nH+]1 ZINC000617100605 348084861 /nfs/dbraw/zinc/08/48/61/348084861.db2.gz JXYZLOYGGJTPLJ-UWVGGRQHSA-N 1 2 234.299 1.865 20 0 BDADLO COC(=O)Cc1cccc(NC[C@@H]2C[C@H]2C)[nH+]1 ZINC000617100607 348084983 /nfs/dbraw/zinc/08/49/83/348084983.db2.gz JXYZLOYGGJTPLJ-ZJUUUORDSA-N 1 2 234.299 1.865 20 0 BDADLO C=Cn1cc(C[N@H+]2CCn3cc(C)nc3C2)cn1 ZINC000373909450 187386751 /nfs/dbraw/zinc/38/67/51/187386751.db2.gz KVYAWYBAINERPG-UHFFFAOYSA-N 1 2 243.314 1.504 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCn3cc(C)nc3C2)cn1 ZINC000373909450 187386753 /nfs/dbraw/zinc/38/67/53/187386753.db2.gz KVYAWYBAINERPG-UHFFFAOYSA-N 1 2 243.314 1.504 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282313760 179373586 /nfs/dbraw/zinc/37/35/86/179373586.db2.gz TZIHVEHOJOHSDQ-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccnc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282313760 179373587 /nfs/dbraw/zinc/37/35/87/179373587.db2.gz TZIHVEHOJOHSDQ-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376008107 187389521 /nfs/dbraw/zinc/38/95/21/187389521.db2.gz QNZJRLBJGCVBLD-TZMCWYRMSA-N 1 2 248.326 1.461 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376008107 187389523 /nfs/dbraw/zinc/38/95/23/187389523.db2.gz QNZJRLBJGCVBLD-TZMCWYRMSA-N 1 2 248.326 1.461 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@H+](Cc2csnn2)C1 ZINC000378137804 187389757 /nfs/dbraw/zinc/38/97/57/187389757.db2.gz ZMCJWMVNWWNEFV-NSHDSACASA-N 1 2 241.360 1.379 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@@H+](Cc2csnn2)C1 ZINC000378137804 187389759 /nfs/dbraw/zinc/38/97/59/187389759.db2.gz ZMCJWMVNWWNEFV-NSHDSACASA-N 1 2 241.360 1.379 20 0 BDADLO CC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378241378 187389946 /nfs/dbraw/zinc/38/99/46/187389946.db2.gz FMAOGEZGLBVPSP-SNVBAGLBSA-N 1 2 207.277 1.205 20 0 BDADLO COc1ccc(NCC[C@H]2CCOC2)[nH+]c1 ZINC000220798357 490143478 /nfs/dbraw/zinc/14/34/78/490143478.db2.gz QBAYDZXKOKFDFX-JTQLQIEISA-N 1 2 222.288 1.929 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000193720470 179374934 /nfs/dbraw/zinc/37/49/34/179374934.db2.gz ACXADYGNGHEIMT-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cccnc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000193720470 179374937 /nfs/dbraw/zinc/37/49/37/179374937.db2.gz ACXADYGNGHEIMT-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000595509864 348265816 /nfs/dbraw/zinc/26/58/16/348265816.db2.gz XMPDONFNCLVADG-UHFFFAOYSA-N 1 2 243.347 1.613 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCC(C)CC1 ZINC000595531130 348273014 /nfs/dbraw/zinc/27/30/14/348273014.db2.gz COUKNVGBSQYKOS-GCZXYKMCSA-N 1 2 243.347 1.326 20 0 BDADLO CCCC[C@H](CC)C[NH2+][C@](C)(CO)C(=O)OC ZINC000595531558 348273681 /nfs/dbraw/zinc/27/36/81/348273681.db2.gz IMDQCGAPBGUCHC-WCQYABFASA-N 1 2 245.363 1.716 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709737 348321540 /nfs/dbraw/zinc/32/15/40/348321540.db2.gz ZDYPZDGAIDRJSF-OUJBWJOFSA-N 1 2 233.311 1.866 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)C(=O)OC ZINC000419282327 192121986 /nfs/dbraw/zinc/12/19/86/192121986.db2.gz ICODNFMTIGQCTQ-AXFHLTTASA-N 1 2 229.320 1.484 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(F)cc1 ZINC000595676977 348310139 /nfs/dbraw/zinc/31/01/39/348310139.db2.gz GKNUNKBDWFEKKV-UHFFFAOYSA-N 1 2 249.285 1.963 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccc(F)cc1 ZINC000595676977 348310142 /nfs/dbraw/zinc/31/01/42/348310142.db2.gz GKNUNKBDWFEKKV-UHFFFAOYSA-N 1 2 249.285 1.963 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C)nc1 ZINC000595680174 348311418 /nfs/dbraw/zinc/31/14/18/348311418.db2.gz MDVWZNCPGYIOBY-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C)nc1 ZINC000595680174 348311419 /nfs/dbraw/zinc/31/14/19/348311419.db2.gz MDVWZNCPGYIOBY-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cncc(C)c1 ZINC000595680830 348312083 /nfs/dbraw/zinc/31/20/83/348312083.db2.gz XZWKMHORMYNSMI-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cncc(C)c1 ZINC000595680830 348312085 /nfs/dbraw/zinc/31/20/85/348312085.db2.gz XZWKMHORMYNSMI-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO CC(C)(C)OC(=O)[C@]1([NH2+]CCCF)CCOC1 ZINC000595740577 348319192 /nfs/dbraw/zinc/31/91/92/348319192.db2.gz CPJXRFMPMGZBBJ-LBPRGKRZSA-N 1 2 247.310 1.436 20 0 BDADLO CCOC(=O)C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595809934 348350037 /nfs/dbraw/zinc/35/00/37/348350037.db2.gz UWGYYFOSBRHOBU-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595809934 348350039 /nfs/dbraw/zinc/35/00/39/348350039.db2.gz UWGYYFOSBRHOBU-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO C[N@@H+](Cc1ccncc1)C[C@H](O)C(F)(F)F ZINC000082680117 348326692 /nfs/dbraw/zinc/32/66/92/348326692.db2.gz GWVFVODSYXHLKJ-VIFPVBQESA-N 1 2 234.221 1.437 20 0 BDADLO C[N@H+](Cc1ccncc1)C[C@H](O)C(F)(F)F ZINC000082680117 348326695 /nfs/dbraw/zinc/32/66/95/348326695.db2.gz GWVFVODSYXHLKJ-VIFPVBQESA-N 1 2 234.221 1.437 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC000082680181 348328530 /nfs/dbraw/zinc/32/85/30/348328530.db2.gz QHVBTPPAJJLHMP-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](O)C(F)(F)F ZINC000082680181 348328533 /nfs/dbraw/zinc/32/85/33/348328533.db2.gz QHVBTPPAJJLHMP-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CCOCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595769427 348335893 /nfs/dbraw/zinc/33/58/93/348335893.db2.gz LYPWDRCVMRSGJI-NSHDSACASA-N 1 2 235.299 1.294 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCSC ZINC000595771563 348336499 /nfs/dbraw/zinc/33/64/99/348336499.db2.gz YRVWGSDJOWDDJI-SNVBAGLBSA-N 1 2 237.340 1.620 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCOCC1CC1 ZINC000595775603 348337822 /nfs/dbraw/zinc/33/78/22/348337822.db2.gz MOKVTYBCWVJSGK-GFCCVEGCSA-N 1 2 247.310 1.294 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C(=O)OC ZINC000419359552 192127323 /nfs/dbraw/zinc/12/73/23/192127323.db2.gz RJEFAEGCVVPZMK-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)C1CC1 ZINC000419285952 192124106 /nfs/dbraw/zinc/12/41/06/192124106.db2.gz NUPUSLYWBGYLDA-TUAOUCFPSA-N 1 2 241.331 1.484 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)C)C1CC1 ZINC000419344105 192125420 /nfs/dbraw/zinc/12/54/20/192125420.db2.gz DYUWHAZJKPIDRA-UTUOFQBUSA-N 1 2 225.332 1.962 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC000419329469 192128723 /nfs/dbraw/zinc/12/87/23/192128723.db2.gz FMOHXQMPBQJULH-FOGDFJRCSA-N 1 2 235.283 1.677 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC=C(C)CC2)c1 ZINC000596175902 348462290 /nfs/dbraw/zinc/46/22/90/348462290.db2.gz WPKVCDGTBIBBBE-UHFFFAOYSA-N 1 2 246.310 1.954 20 0 BDADLO COC(=O)[C@H]1C[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000596553920 348577099 /nfs/dbraw/zinc/57/70/99/348577099.db2.gz NTSLHBCZBQGATH-KYZUINATSA-N 1 2 221.260 1.149 20 0 BDADLO CCC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000531392417 348598700 /nfs/dbraw/zinc/59/87/00/348598700.db2.gz VVRVKRVCWKXFFY-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000531392417 348598703 /nfs/dbraw/zinc/59/87/03/348598703.db2.gz VVRVKRVCWKXFFY-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cn2cc(NC(=O)C(C)(C)O)ccc2[nH+]1 ZINC000277080064 179567563 /nfs/dbraw/zinc/56/75/63/179567563.db2.gz KMKCMRIEIRTDHX-UHFFFAOYSA-N 1 2 233.271 1.352 20 0 BDADLO COC(=O)[C@H](C)NCc1[nH+]ccn1C(C)C ZINC000597115898 348663250 /nfs/dbraw/zinc/66/32/50/348663250.db2.gz WLQZRTNHMDJKAM-VIFPVBQESA-N 1 2 225.292 1.115 20 0 BDADLO CSC1(C[N@H+](C)Cc2noc(C)n2)CC1 ZINC000597252837 348709114 /nfs/dbraw/zinc/70/91/14/348709114.db2.gz ABXUGLORZHBZEK-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO CSC1(C[N@@H+](C)Cc2noc(C)n2)CC1 ZINC000597252837 348709117 /nfs/dbraw/zinc/70/91/17/348709117.db2.gz ABXUGLORZHBZEK-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1cc(NC(=O)c2ccoc2)c(C)c[nH+]1 ZINC000536574857 323198007 /nfs/dbraw/zinc/19/80/07/323198007.db2.gz OGWUXNZJZFSJEU-UHFFFAOYSA-N 1 2 216.240 1.966 20 0 BDADLO Cc1cc(NC(=O)COC(C)C)c(C)c[nH+]1 ZINC000536575028 323198056 /nfs/dbraw/zinc/19/80/56/323198056.db2.gz PGNGBNCRTSVMJH-UHFFFAOYSA-N 1 2 222.288 1.484 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421737884 192377500 /nfs/dbraw/zinc/37/75/00/192377500.db2.gz OBDWUIGBNXRXAG-JHJVBQTASA-N 1 2 247.342 1.826 20 0 BDADLO CCCSCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460159 348977468 /nfs/dbraw/zinc/97/74/68/348977468.db2.gz RCYPXSWXGSQUQD-SECBINFHSA-N 1 2 241.360 1.741 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421758826 192379979 /nfs/dbraw/zinc/37/99/79/192379979.db2.gz BFLBMPNZUQCMSL-AXFHLTTASA-N 1 2 233.315 1.473 20 0 BDADLO CSC[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000598685890 349016562 /nfs/dbraw/zinc/01/65/62/349016562.db2.gz USFAUTILVLOYPM-MRVPVSSYSA-N 1 2 241.360 1.555 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1nccnc1C ZINC000598677542 349021327 /nfs/dbraw/zinc/02/13/27/349021327.db2.gz YGHSJEFUMKUOID-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1nccnc1C ZINC000598677542 349021330 /nfs/dbraw/zinc/02/13/30/349021330.db2.gz YGHSJEFUMKUOID-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC1(CNc2c[nH]c[nH+]2)CCOCC1 ZINC000308906750 349058675 /nfs/dbraw/zinc/05/86/75/349058675.db2.gz CSFJITOOKVIERV-UHFFFAOYSA-N 1 2 211.265 1.017 20 0 BDADLO CSCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942889 349062724 /nfs/dbraw/zinc/06/27/24/349062724.db2.gz CGRAPDYFROYFAT-VIFPVBQESA-N 1 2 239.344 1.067 20 0 BDADLO Cc1c[nH+]ccc1CCSc1nncn1C ZINC000421825925 192387279 /nfs/dbraw/zinc/38/72/79/192387279.db2.gz PZJQTWHTQDDTJP-UHFFFAOYSA-N 1 2 234.328 1.853 20 0 BDADLO CC[C@@H](C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000421809656 192387785 /nfs/dbraw/zinc/38/77/85/192387785.db2.gz BVZQCIPALOFMDP-LLVKDONJSA-N 1 2 238.335 1.619 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000055058726 349128085 /nfs/dbraw/zinc/12/80/85/349128085.db2.gz MXQHEGZDLBULLP-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCC(=O)OC(C)(C)C ZINC000055058726 349128088 /nfs/dbraw/zinc/12/80/88/349128088.db2.gz MXQHEGZDLBULLP-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H](C)CCC[NH2+][C@](C)(CO)C(=O)OC ZINC000599436159 349176253 /nfs/dbraw/zinc/17/62/53/349176253.db2.gz BNBXRRTWJJGDQR-DGCLKSJQSA-N 1 2 245.363 1.716 20 0 BDADLO CCO[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)C1CC1 ZINC000599378972 349163046 /nfs/dbraw/zinc/16/30/46/349163046.db2.gz VQEMNBZUFDHORT-NWDGAFQWSA-N 1 2 241.331 1.343 20 0 BDADLO CCO[C@H](C[NH2+][C@@H](C(=O)OC)C1CC1)C1CC1 ZINC000599378974 349163239 /nfs/dbraw/zinc/16/32/39/349163239.db2.gz VQEMNBZUFDHORT-VXGBXAGGSA-N 1 2 241.331 1.343 20 0 BDADLO CCC[C@H](C)CCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000599436158 349176031 /nfs/dbraw/zinc/17/60/31/349176031.db2.gz BNBXRRTWJJGDQR-AAEUAGOBSA-N 1 2 245.363 1.716 20 0 BDADLO COC(=O)CCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536762 349212683 /nfs/dbraw/zinc/21/26/83/349212683.db2.gz REUQPZWYLHHFDQ-UHFFFAOYSA-N 1 2 235.283 1.661 20 0 BDADLO COC(=O)CCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536762 349212685 /nfs/dbraw/zinc/21/26/85/349212685.db2.gz REUQPZWYLHHFDQ-UHFFFAOYSA-N 1 2 235.283 1.661 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C)[C@H](C)C1 ZINC000253072441 349226020 /nfs/dbraw/zinc/22/60/20/349226020.db2.gz OAFJSUSNOIOADW-RKDXNWHRSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C)[C@H](C)C1 ZINC000253072441 349226024 /nfs/dbraw/zinc/22/60/24/349226024.db2.gz OAFJSUSNOIOADW-RKDXNWHRSA-N 1 2 236.319 1.550 20 0 BDADLO CC[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)OC ZINC000599625620 349230398 /nfs/dbraw/zinc/23/03/98/349230398.db2.gz NUSSMMXDQSOUKM-QHZLYTNSSA-N 1 2 229.320 1.340 20 0 BDADLO C[C@H](O)CCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599651136 349234209 /nfs/dbraw/zinc/23/42/09/349234209.db2.gz DHUNPEQGAKJOTL-JTQLQIEISA-N 1 2 245.363 1.857 20 0 BDADLO CCCN(CC(=O)OC)Cc1[nH]cc(C)[nH+]1 ZINC000600107223 349287973 /nfs/dbraw/zinc/28/79/73/349287973.db2.gz SHYRDHDEKZEEGC-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO Cc1ccc(NCc2[nH+]ccn2C)nn1 ZINC000070853835 490241807 /nfs/dbraw/zinc/24/18/07/490241807.db2.gz ZCWCESCTZVPBSK-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)nc[nH+]1 ZINC000599833526 349263086 /nfs/dbraw/zinc/26/30/86/349263086.db2.gz QHUXDJIFXDHWME-SNVBAGLBSA-N 1 2 234.303 1.206 20 0 BDADLO Cc1cc(NCc2cn3c([nH+]2)CCCC3)ncn1 ZINC000599851675 349264157 /nfs/dbraw/zinc/26/41/57/349264157.db2.gz YMSYCNCHLUZUTP-UHFFFAOYSA-N 1 2 243.314 1.352 20 0 BDADLO Cc1cc(N(C)Cc2cc[nH]n2)nc[nH+]1 ZINC000601746694 349339035 /nfs/dbraw/zinc/33/90/35/349339035.db2.gz TYMAWUUKLHRXOY-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO COC[C@@H]([NH2+]Cc1nnsc1Cl)C1CC1 ZINC000309060812 323221266 /nfs/dbraw/zinc/22/12/66/323221266.db2.gz WNFUTDFNGDXEMX-MRVPVSSYSA-N 1 2 247.751 1.706 20 0 BDADLO Cn1nccc1CCSCCn1cc[nH+]c1 ZINC000601918539 349395631 /nfs/dbraw/zinc/39/56/31/349395631.db2.gz FGPYVAJZFXXWOF-UHFFFAOYSA-N 1 2 236.344 1.593 20 0 BDADLO Cc1nc(N2CC[C@@](C)(C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000360255909 179907710 /nfs/dbraw/zinc/90/77/10/179907710.db2.gz DHGJBNWJSXYNPF-CYBMUJFWSA-N 1 2 248.330 1.104 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785241 350032588 /nfs/dbraw/zinc/03/25/88/350032588.db2.gz HFGONWDGDLKKRK-PSASIEDQSA-N 1 2 215.256 1.929 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)OCC1CC1 ZINC000603813472 350037543 /nfs/dbraw/zinc/03/75/43/350037543.db2.gz RTAOMGUNFHOZGC-JTQLQIEISA-N 1 2 248.326 1.820 20 0 BDADLO COCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603819445 350039259 /nfs/dbraw/zinc/03/92/59/350039259.db2.gz AMLSLJUUADQKMN-UHFFFAOYSA-N 1 2 219.244 1.309 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1(C)CCC1)CC2 ZINC000626263971 350051273 /nfs/dbraw/zinc/05/12/73/350051273.db2.gz WDBJGADYSBFVFE-LLVKDONJSA-N 1 2 247.342 1.813 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603916528 350055873 /nfs/dbraw/zinc/05/58/73/350055873.db2.gz OEPCXMFOVBCDHU-SNVBAGLBSA-N 1 2 221.304 1.559 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](CO)[C@H]2C)[nH+]1 ZINC000362685030 180004134 /nfs/dbraw/zinc/00/41/34/180004134.db2.gz QWLHLVIGAQWYTF-PSASIEDQSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC(C)(C)O)[nH+]1 ZINC000309611759 180016596 /nfs/dbraw/zinc/01/65/96/180016596.db2.gz AIXXTXGMBUDUFV-UHFFFAOYSA-N 1 2 220.276 1.449 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@@H]2C)[nH+]1 ZINC000309810768 180024262 /nfs/dbraw/zinc/02/42/62/180024262.db2.gz UBSKRAITCLKPQL-IONNQARKSA-N 1 2 221.308 1.456 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000309810768 180024265 /nfs/dbraw/zinc/02/42/65/180024265.db2.gz UBSKRAITCLKPQL-IONNQARKSA-N 1 2 221.308 1.456 20 0 BDADLO CC(C)SCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348185177 535105144 /nfs/dbraw/zinc/10/51/44/535105144.db2.gz AJMCVYUFZMXDAL-HNNXBMFYSA-N 1 2 249.445 1.971 20 0 BDADLO CC(C)SCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000348185177 535105147 /nfs/dbraw/zinc/10/51/47/535105147.db2.gz AJMCVYUFZMXDAL-HNNXBMFYSA-N 1 2 249.445 1.971 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](C)O)no1 ZINC000369388682 180043339 /nfs/dbraw/zinc/04/33/39/180043339.db2.gz HGWQPGWHRGZMPV-SCZZXKLOSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](C)O)no1 ZINC000369388682 180043341 /nfs/dbraw/zinc/04/33/41/180043341.db2.gz HGWQPGWHRGZMPV-SCZZXKLOSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H]2CCCN2Cc2c[nH+]c[nH]2)no1 ZINC000376200876 180045915 /nfs/dbraw/zinc/04/59/15/180045915.db2.gz VMAQVLXBYGUBFC-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nc([C@@H]2CCCN2Cc2c[nH]c[nH+]2)no1 ZINC000376200876 180045917 /nfs/dbraw/zinc/04/59/17/180045917.db2.gz VMAQVLXBYGUBFC-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000368593536 180047711 /nfs/dbraw/zinc/04/77/11/180047711.db2.gz OZRWZFPLZRDSAF-UFBFGSQYSA-N 1 2 237.303 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@](O)(C3CC3)C2)no1 ZINC000368593536 180047713 /nfs/dbraw/zinc/04/77/13/180047713.db2.gz OZRWZFPLZRDSAF-UFBFGSQYSA-N 1 2 237.303 1.286 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)no1 ZINC000329849659 180051289 /nfs/dbraw/zinc/05/12/89/180051289.db2.gz PZWNKPDHZFDXEZ-WHGOUJPWSA-N 1 2 237.303 1.596 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)NCC(N)=O)cc2n1C ZINC000336496291 180089719 /nfs/dbraw/zinc/08/97/19/180089719.db2.gz RQLGJEGGHPLVNM-UHFFFAOYSA-N 1 2 246.270 1.147 20 0 BDADLO Cc1[nH]c2ccc(Cn3nnnc3C)cc2[nH+]1 ZINC000358857494 180092802 /nfs/dbraw/zinc/09/28/02/180092802.db2.gz ZKXMVRGRVSERDW-UHFFFAOYSA-N 1 2 228.259 1.215 20 0 BDADLO Cc1[nH]c2cc(Cn3nnnc3C)ccc2[nH+]1 ZINC000358857494 180092805 /nfs/dbraw/zinc/09/28/05/180092805.db2.gz ZKXMVRGRVSERDW-UHFFFAOYSA-N 1 2 228.259 1.215 20 0 BDADLO Cc1nc(N2CCCOCC2)c2c([nH+]1)CCCC2 ZINC000364918503 180068405 /nfs/dbraw/zinc/06/84/05/180068405.db2.gz YLULBUQHCFNXEW-UHFFFAOYSA-N 1 2 247.342 1.891 20 0 BDADLO Cc1nc(N(C)CC(C)(C)O)c2c([nH+]1)CCCC2 ZINC000272958550 180068658 /nfs/dbraw/zinc/06/86/58/180068658.db2.gz ZVYQTYYAFFQGDU-UHFFFAOYSA-N 1 2 249.358 1.871 20 0 BDADLO Cc1nc(N(C)CCO)c2c([nH+]1)CCCC2 ZINC000272858495 180069091 /nfs/dbraw/zinc/06/90/91/180069091.db2.gz LPPBJVGKYPYSMJ-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1ccc(F)nc1)C2 ZINC000375288255 180112025 /nfs/dbraw/zinc/11/20/25/180112025.db2.gz LJBDUVQITPHPJZ-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccc(F)nc1)C2 ZINC000375288255 180112027 /nfs/dbraw/zinc/11/20/27/180112027.db2.gz LJBDUVQITPHPJZ-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO COC(=O)C1([NH2+]CCCF)CCCC1 ZINC000133674240 191041230 /nfs/dbraw/zinc/04/12/30/191041230.db2.gz KLOQITFGAFOPDW-UHFFFAOYSA-N 1 2 203.257 1.421 20 0 BDADLO CSCC[N@H+](C)CC(=O)c1cccn1C ZINC000138238184 191043121 /nfs/dbraw/zinc/04/31/21/191043121.db2.gz HNNILQVCVODCLJ-UHFFFAOYSA-N 1 2 226.345 1.503 20 0 BDADLO CSCC[N@@H+](C)CC(=O)c1cccn1C ZINC000138238184 191043124 /nfs/dbraw/zinc/04/31/24/191043124.db2.gz HNNILQVCVODCLJ-UHFFFAOYSA-N 1 2 226.345 1.503 20 0 BDADLO Cc1ncc(CN(C)Cc2c[nH+]cn2C)s1 ZINC000177013947 180140160 /nfs/dbraw/zinc/14/01/60/180140160.db2.gz ZSZIAMCXKLCTHG-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC1(O)CCCC1 ZINC000331295077 180118356 /nfs/dbraw/zinc/11/83/56/180118356.db2.gz MGVGTAXVPSKQFC-UHFFFAOYSA-N 1 2 237.303 1.030 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccc(O)c1 ZINC000357314830 180118696 /nfs/dbraw/zinc/11/86/96/180118696.db2.gz ZPZSGDRAOANJTR-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO Cc1ncc(COCc2[nH]cc[nH+]2)s1 ZINC000180037755 180159858 /nfs/dbraw/zinc/15/98/58/180159858.db2.gz UEYDVKJDCPPYNQ-UHFFFAOYSA-N 1 2 209.274 1.891 20 0 BDADLO Cc1ncc(NC(=O)CCc2[nH]cc[nH+]2)s1 ZINC000355142695 180165527 /nfs/dbraw/zinc/16/55/27/180165527.db2.gz MUPMVKKELUOVKD-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122914529 191073127 /nfs/dbraw/zinc/07/31/27/191073127.db2.gz QMBOHGYOYMUYFP-GXSJLCMTSA-N 1 2 207.277 1.313 20 0 BDADLO Cc1nc(NCC2([S@@](C)=O)CC2)cc[nH+]1 ZINC000281451654 180197547 /nfs/dbraw/zinc/19/75/47/180197547.db2.gz AIIWUUMXCGNXQO-OAHLLOKOSA-N 1 2 225.317 1.108 20 0 BDADLO Cc1nc(NCCC2(O)CCOCC2)cc[nH+]1 ZINC000286497158 180198787 /nfs/dbraw/zinc/19/87/87/180198787.db2.gz XXAVWKVUFXMNGU-UHFFFAOYSA-N 1 2 237.303 1.129 20 0 BDADLO Cc1nc(NCCCc2cnn(C)c2)cc[nH+]1 ZINC000266384702 180199437 /nfs/dbraw/zinc/19/94/37/180199437.db2.gz NGGNSHOMYPCIQY-UHFFFAOYSA-N 1 2 231.303 1.563 20 0 BDADLO Cc1nccc(NCCn2cc[nH+]c2)n1 ZINC000054936130 180200039 /nfs/dbraw/zinc/20/00/39/180200039.db2.gz PACQKXNWXGHDOY-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO Cc1nc(NC[C@](C)(O)C(F)(F)F)cc[nH+]1 ZINC000270449601 180200130 /nfs/dbraw/zinc/20/01/30/180200130.db2.gz IBGIVKOTZRPABB-QMMMGPOBSA-N 1 2 235.209 1.510 20 0 BDADLO Cc1nc(NC[C@@H](C)CCCO)cc[nH+]1 ZINC000295024785 180201167 /nfs/dbraw/zinc/20/11/67/180201167.db2.gz UWQIZURRMVOHQW-VIFPVBQESA-N 1 2 209.293 1.606 20 0 BDADLO Cc1ccc([C@@H](O)CNc2cc[nH+]c(C)n2)o1 ZINC000266247372 180201372 /nfs/dbraw/zinc/20/13/72/180201372.db2.gz MMHOGIPXKNOUAY-JTQLQIEISA-N 1 2 233.271 1.832 20 0 BDADLO Cc1nc(NC[C@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000286430980 180201766 /nfs/dbraw/zinc/20/17/66/180201766.db2.gz QQASGSHSTFCLDK-GXSJLCMTSA-N 1 2 221.304 1.870 20 0 BDADLO Cc1nc(NC[C@H](C)CCCO)cc[nH+]1 ZINC000295024781 180201779 /nfs/dbraw/zinc/20/17/79/180201779.db2.gz UWQIZURRMVOHQW-SECBINFHSA-N 1 2 209.293 1.606 20 0 BDADLO Cc1nc(N[C@@H](C)CC[S@](C)=O)cc[nH+]1 ZINC000130267783 180202462 /nfs/dbraw/zinc/20/24/62/180202462.db2.gz PIXCZIAOONOXSK-VXJOIVPMSA-N 1 2 227.333 1.354 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000361040769 180202837 /nfs/dbraw/zinc/20/28/37/180202837.db2.gz QJFGKMFZMOQMHA-VHSXEESVSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1nc(N[C@H]2CC(=O)N(C(C)(C)C)C2)cc[nH+]1 ZINC000080674706 180206329 /nfs/dbraw/zinc/20/63/29/180206329.db2.gz WTCNXGLPLHMTQE-JTQLQIEISA-N 1 2 248.330 1.596 20 0 BDADLO Cc1nc(NC[C@H]2CCC(C)(C)O2)cc[nH+]1 ZINC000336738341 180181918 /nfs/dbraw/zinc/18/19/18/180181918.db2.gz OBUCXCQMMBCZMX-SNVBAGLBSA-N 1 2 221.304 1.576 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@](F)(CO)C2)n1 ZINC000353490880 180184724 /nfs/dbraw/zinc/18/47/24/180184724.db2.gz HXOVBQNCZWGCHO-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@](F)(CO)C2)n1 ZINC000353490880 180184726 /nfs/dbraw/zinc/18/47/26/180184726.db2.gz HXOVBQNCZWGCHO-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1nccc(C[N@H+]2CC(C)(C)OC[C@@H]2C)n1 ZINC000353197644 180184935 /nfs/dbraw/zinc/18/49/35/180184935.db2.gz WCVGNNAQKQUPCS-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)n1 ZINC000353197644 180184936 /nfs/dbraw/zinc/18/49/36/180184936.db2.gz WCVGNNAQKQUPCS-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1[nH+]cccc1NCc1cnn(C)n1 ZINC000293270665 180226866 /nfs/dbraw/zinc/22/68/66/180226866.db2.gz NLSDJESNXFSIRG-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000049331229 180249109 /nfs/dbraw/zinc/24/91/09/180249109.db2.gz AIURMVWEDJHZMI-LLVKDONJSA-N 1 2 237.303 1.131 20 0 BDADLO Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000049331229 180249110 /nfs/dbraw/zinc/24/91/10/180249110.db2.gz AIURMVWEDJHZMI-LLVKDONJSA-N 1 2 237.303 1.131 20 0 BDADLO CC/C=C\CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637191563 350250875 /nfs/dbraw/zinc/25/08/75/350250875.db2.gz SFVXNAXZLDZOLJ-XOULXFPDSA-N 1 2 234.303 1.073 20 0 BDADLO CCc1cc(NCc2ccn(C(C)C)n2)nc[nH+]1 ZINC000606156794 350280500 /nfs/dbraw/zinc/28/05/00/350280500.db2.gz WBAPVGDFVCYOBL-UHFFFAOYSA-N 1 2 245.330 1.850 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]23C[C@@H]2CCC3)c[nH+]1 ZINC000617207051 350354075 /nfs/dbraw/zinc/35/40/75/350354075.db2.gz OXYMGGKVPGSLSY-KWQFWETISA-N 1 2 205.261 1.391 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000336442850 180303581 /nfs/dbraw/zinc/30/35/81/180303581.db2.gz RQXCLHJWTBSBAH-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000336442850 180303582 /nfs/dbraw/zinc/30/35/82/180303582.db2.gz RQXCLHJWTBSBAH-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO CC[C@H](COC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581676246 350404937 /nfs/dbraw/zinc/40/49/37/350404937.db2.gz PZCSYBKAMWCISZ-VHSXEESVSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@H](COC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581676246 350404939 /nfs/dbraw/zinc/40/49/39/350404939.db2.gz PZCSYBKAMWCISZ-VHSXEESVSA-N 1 2 239.319 1.130 20 0 BDADLO CCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580335 350370573 /nfs/dbraw/zinc/37/05/73/350370573.db2.gz KIUFRKZBQXGMNN-UHFFFAOYSA-N 1 2 218.260 1.818 20 0 BDADLO CC[C@](C)(C[NH2+][C@H](CC(C)C)C(=O)OC)OC ZINC000319856760 350376943 /nfs/dbraw/zinc/37/69/43/350376943.db2.gz LNEPNTCRBJKKLW-DGCLKSJQSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+](C)C1CC1 ZINC000037460286 180348991 /nfs/dbraw/zinc/34/89/91/180348991.db2.gz QUQKNSIEVNDSKW-UHFFFAOYSA-N 1 2 213.712 1.976 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C1CC1 ZINC000037460286 180348993 /nfs/dbraw/zinc/34/89/93/180348993.db2.gz QUQKNSIEVNDSKW-UHFFFAOYSA-N 1 2 213.712 1.976 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1ccnn1C ZINC000355286246 180373041 /nfs/dbraw/zinc/37/30/41/180373041.db2.gz HQRJSDLOJVGGLA-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccnn1C ZINC000355286246 180373044 /nfs/dbraw/zinc/37/30/44/180373044.db2.gz HQRJSDLOJVGGLA-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CC[N@H+](Cc1nnn(C)n1)CC(C)(C)C ZINC000336700691 350457085 /nfs/dbraw/zinc/45/70/85/350457085.db2.gz PPAZKKKLXZCATM-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO CC[N@@H+](Cc1nnn(C)n1)CC(C)(C)C ZINC000336700691 350457087 /nfs/dbraw/zinc/45/70/87/350457087.db2.gz PPAZKKKLXZCATM-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1nccn1C ZINC000112837269 180382922 /nfs/dbraw/zinc/38/29/22/180382922.db2.gz LBZHZLFLHBOXMZ-VIFPVBQESA-N 1 2 233.319 1.313 20 0 BDADLO Cc1[nH]c(CN2CC(OC(F)F)C2)[nH+]c1C ZINC000628307632 350607667 /nfs/dbraw/zinc/60/76/67/350607667.db2.gz URHMSCGUCZPUKR-UHFFFAOYSA-N 1 2 231.246 1.450 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)no1 ZINC000365798005 350612724 /nfs/dbraw/zinc/61/27/24/350612724.db2.gz SLNOOAGRYKAWEK-WDEREUQCSA-N 1 2 235.287 1.899 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2C[C@@H]2CCC=CO2)no1 ZINC000365798005 350612725 /nfs/dbraw/zinc/61/27/25/350612725.db2.gz SLNOOAGRYKAWEK-WDEREUQCSA-N 1 2 235.287 1.899 20 0 BDADLO C/C=C/CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000637485063 350640294 /nfs/dbraw/zinc/64/02/94/350640294.db2.gz IRDVXVMLACBUCG-ONEGZZNKSA-N 1 2 234.303 1.293 20 0 BDADLO COC[C@H](CCO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000606912801 350628129 /nfs/dbraw/zinc/62/81/29/350628129.db2.gz HNFCLOPAAMLNHD-JTQLQIEISA-N 1 2 249.314 1.050 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2cccs2)n1C ZINC000051383016 350657464 /nfs/dbraw/zinc/65/74/64/350657464.db2.gz KTEBCCONKTWQKP-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2cccs2)n1C ZINC000051383016 350657469 /nfs/dbraw/zinc/65/74/69/350657469.db2.gz KTEBCCONKTWQKP-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)[nH]1 ZINC000336009039 350708572 /nfs/dbraw/zinc/70/85/72/350708572.db2.gz RKSLPMMLNVCIFQ-QMMMGPOBSA-N 1 2 244.289 1.844 20 0 BDADLO CCc1nnc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)[nH]1 ZINC000336009039 350708577 /nfs/dbraw/zinc/70/85/77/350708577.db2.gz RKSLPMMLNVCIFQ-QMMMGPOBSA-N 1 2 244.289 1.844 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153160306 362976214 /nfs/dbraw/zinc/97/62/14/362976214.db2.gz YYHDWTDVZUEGFV-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H](C)O2)c[nH+]1 ZINC000618579804 350701824 /nfs/dbraw/zinc/70/18/24/350701824.db2.gz ZWJYZIIQRZTWES-SCZZXKLOSA-N 1 2 237.303 1.406 20 0 BDADLO CC(C)c1cc(C[NH2+]Cc2cn[nH]c2)on1 ZINC000309547200 350745984 /nfs/dbraw/zinc/74/59/84/350745984.db2.gz HDGOQYBEDLKULM-UHFFFAOYSA-N 1 2 220.276 1.811 20 0 BDADLO CCOc1nccnc1NCCc1cn(C)c[nH+]1 ZINC000577588017 366006704 /nfs/dbraw/zinc/00/67/04/366006704.db2.gz AHGSUUSKIMHMEJ-UHFFFAOYSA-N 1 2 247.302 1.263 20 0 BDADLO Cc1ccc(C[N@@H+](CC(=O)N(C)C)C2CC2)o1 ZINC000051965871 350828479 /nfs/dbraw/zinc/82/84/79/350828479.db2.gz XFXUTOVRQYWJBE-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1ccc(C[N@H+](CC(=O)N(C)C)C2CC2)o1 ZINC000051965871 350828481 /nfs/dbraw/zinc/82/84/81/350828481.db2.gz XFXUTOVRQYWJBE-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC000607119166 350922533 /nfs/dbraw/zinc/92/25/33/350922533.db2.gz HBGSNFWALKFYQX-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO CC[C@H](COC)NC(=O)CCCn1cc[nH+]c1 ZINC000151007034 350936459 /nfs/dbraw/zinc/93/64/59/350936459.db2.gz SGMNDWLNUYADAD-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO COC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161699 350937617 /nfs/dbraw/zinc/93/76/17/350937617.db2.gz VVTAQGWDCPRSOD-UHFFFAOYSA-N 1 2 237.274 1.963 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161699 350937620 /nfs/dbraw/zinc/93/76/20/350937620.db2.gz VVTAQGWDCPRSOD-UHFFFAOYSA-N 1 2 237.274 1.963 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@@H](COC)C(=O)OC ZINC000336675571 350874205 /nfs/dbraw/zinc/87/42/05/350874205.db2.gz BLNUMBNMTTVCMH-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCc1ccsc1 ZINC000052356618 350946016 /nfs/dbraw/zinc/94/60/16/350946016.db2.gz RXJMIFCWAIMSNW-UHFFFAOYSA-N 1 2 235.312 1.304 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442665 350947723 /nfs/dbraw/zinc/94/77/23/350947723.db2.gz YJAGFOPVZHEEJP-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442665 350947727 /nfs/dbraw/zinc/94/77/27/350947727.db2.gz YJAGFOPVZHEEJP-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO c1[nH]nnc1C[NH2+]CC1CCCCCC1 ZINC000398303685 351025549 /nfs/dbraw/zinc/02/55/49/351025549.db2.gz HPIDADIYHIMPGK-UHFFFAOYSA-N 1 2 208.309 1.865 20 0 BDADLO c1n[nH]nc1C[NH2+]CC1CCCCCC1 ZINC000398303685 351025551 /nfs/dbraw/zinc/02/55/51/351025551.db2.gz HPIDADIYHIMPGK-UHFFFAOYSA-N 1 2 208.309 1.865 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC=CCC1)CC2 ZINC000626388958 351026708 /nfs/dbraw/zinc/02/67/08/351026708.db2.gz SDVQXYDTWDSTEU-LBPRGKRZSA-N 1 2 245.326 1.542 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)C[C@@H]1C ZINC000398330435 351037210 /nfs/dbraw/zinc/03/72/10/351037210.db2.gz QMWSSHVTILYAOJ-UTLUCORTSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)C[C@@H]1C ZINC000398330435 351037213 /nfs/dbraw/zinc/03/72/13/351037213.db2.gz QMWSSHVTILYAOJ-UTLUCORTSA-N 1 2 208.309 1.719 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)cc2)CC1=O ZINC000259474625 351068837 /nfs/dbraw/zinc/06/88/37/351068837.db2.gz RADPRKGUZXBPDW-UHFFFAOYSA-N 1 2 232.327 1.659 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)cc2)CC1=O ZINC000259474625 351068840 /nfs/dbraw/zinc/06/88/40/351068840.db2.gz RADPRKGUZXBPDW-UHFFFAOYSA-N 1 2 232.327 1.659 20 0 BDADLO COC(=O)C1(C[N@@H+]2CCCC(F)(F)C2)CC1 ZINC000259262296 351068853 /nfs/dbraw/zinc/06/88/53/351068853.db2.gz ASWYSKCUOHFFQQ-UHFFFAOYSA-N 1 2 233.258 1.671 20 0 BDADLO COC(=O)C1(C[N@H+]2CCCC(F)(F)C2)CC1 ZINC000259262296 351068856 /nfs/dbraw/zinc/06/88/56/351068856.db2.gz ASWYSKCUOHFFQQ-UHFFFAOYSA-N 1 2 233.258 1.671 20 0 BDADLO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC000398391979 351130845 /nfs/dbraw/zinc/13/08/45/351130845.db2.gz KMHNZPKGODYIGQ-ZJUUUORDSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC000398391979 351130846 /nfs/dbraw/zinc/13/08/46/351130846.db2.gz KMHNZPKGODYIGQ-ZJUUUORDSA-N 1 2 208.309 1.721 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)o2)[C@H](C)CO1 ZINC000628324549 351237533 /nfs/dbraw/zinc/23/75/33/351237533.db2.gz YJECMYHFBYGACO-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)o2)[C@H](C)CO1 ZINC000628324549 351237537 /nfs/dbraw/zinc/23/75/37/351237537.db2.gz YJECMYHFBYGACO-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CCCCOCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264869940 351259508 /nfs/dbraw/zinc/25/95/08/351259508.db2.gz QZQFQJFYRFGDDF-UHFFFAOYSA-N 1 2 225.292 1.265 20 0 BDADLO CC(C)CC[S@](=O)Cc1c[nH+]cn1C ZINC000268149711 351328307 /nfs/dbraw/zinc/32/83/07/351328307.db2.gz FCWSKSMQDMONNE-AWEZNQCLSA-N 1 2 214.334 1.715 20 0 BDADLO CCN1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000266008483 351277328 /nfs/dbraw/zinc/27/73/28/351277328.db2.gz MSVSPPXXNZDNDB-UHFFFAOYSA-N 1 2 239.388 1.897 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H](O)C(F)(F)C2)[nH+]c1C ZINC000628337269 351279829 /nfs/dbraw/zinc/27/98/29/351279829.db2.gz APLHDWDJQGCMNL-SECBINFHSA-N 1 2 245.273 1.228 20 0 BDADLO CC[N@H+](Cc1ccn(C)n1)Cc1ccccn1 ZINC000271169626 351407966 /nfs/dbraw/zinc/40/79/66/351407966.db2.gz IPYALECKYXOPHW-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1ccn(C)n1)Cc1ccccn1 ZINC000271169626 351407969 /nfs/dbraw/zinc/40/79/69/351407969.db2.gz IPYALECKYXOPHW-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000337210365 191136641 /nfs/dbraw/zinc/13/66/41/191136641.db2.gz CKYVUBLZCZFLJT-WQGACYEGSA-N 1 2 247.404 1.500 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000337210365 191136643 /nfs/dbraw/zinc/13/66/43/191136643.db2.gz CKYVUBLZCZFLJT-WQGACYEGSA-N 1 2 247.404 1.500 20 0 BDADLO CCC(C)(C)OCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000308494918 363070531 /nfs/dbraw/zinc/07/05/31/363070531.db2.gz BKSZFVDCZUVKSR-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)(NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000607549265 351598245 /nfs/dbraw/zinc/59/82/45/351598245.db2.gz UQQDWIPACMCENF-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000088094552 351598455 /nfs/dbraw/zinc/59/84/55/351598455.db2.gz XJYFQDZAQWYRAC-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000088094552 351598459 /nfs/dbraw/zinc/59/84/59/351598459.db2.gz XJYFQDZAQWYRAC-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000577767106 366057379 /nfs/dbraw/zinc/05/73/79/366057379.db2.gz RWXDVDXPMCFBNG-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000577767106 366057384 /nfs/dbraw/zinc/05/73/84/366057384.db2.gz RWXDVDXPMCFBNG-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000577767103 366057488 /nfs/dbraw/zinc/05/74/88/366057488.db2.gz RWXDVDXPMCFBNG-AXFHLTTASA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000577767103 366057492 /nfs/dbraw/zinc/05/74/92/366057492.db2.gz RWXDVDXPMCFBNG-AXFHLTTASA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)c1ccco1 ZINC000037017322 358466709 /nfs/dbraw/zinc/46/67/09/358466709.db2.gz IRWRBRMYIPZETA-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCOC(C)(C)C1 ZINC000637943578 351820612 /nfs/dbraw/zinc/82/06/12/351820612.db2.gz FHWVBTRSQWPOOG-GFCCVEGCSA-N 1 2 249.358 1.982 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCOC(C)(C)C1 ZINC000637943578 351820617 /nfs/dbraw/zinc/82/06/17/351820617.db2.gz FHWVBTRSQWPOOG-GFCCVEGCSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccns1 ZINC000637950121 351826448 /nfs/dbraw/zinc/82/64/48/351826448.db2.gz ZOJLJPXJQUSYLZ-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccns1 ZINC000637950121 351826452 /nfs/dbraw/zinc/82/64/52/351826452.db2.gz ZOJLJPXJQUSYLZ-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000279346609 351809430 /nfs/dbraw/zinc/80/94/30/351809430.db2.gz FEFYFDSWALOVQU-JTQLQIEISA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000618867749 351859169 /nfs/dbraw/zinc/85/91/69/351859169.db2.gz YKZLZRXCGOMPCN-NWDGAFQWSA-N 1 2 247.342 1.750 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)c[nH]1 ZINC000637998016 351875651 /nfs/dbraw/zinc/87/56/51/351875651.db2.gz GTGZJUFPHOYYST-JTQLQIEISA-N 1 2 246.270 1.507 20 0 BDADLO O=c1ccc(C[N@H+]2CCC[C@H]2c2ncon2)c[nH]1 ZINC000637998016 351875653 /nfs/dbraw/zinc/87/56/53/351875653.db2.gz GTGZJUFPHOYYST-JTQLQIEISA-N 1 2 246.270 1.507 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000618870609 351936247 /nfs/dbraw/zinc/93/62/47/351936247.db2.gz KESGNRGUZQLKDE-WCQYABFASA-N 1 2 247.342 1.750 20 0 BDADLO CC[N@H+](Cc1nc(C)cs1)[C@H]1CCNC1=O ZINC000281510364 351895867 /nfs/dbraw/zinc/89/58/67/351895867.db2.gz BGPDQFOWRPRADC-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1nc(C)cs1)[C@H]1CCNC1=O ZINC000281510364 351895868 /nfs/dbraw/zinc/89/58/68/351895868.db2.gz BGPDQFOWRPRADC-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1ccc(=O)[nH]c1 ZINC000638100111 351980929 /nfs/dbraw/zinc/98/09/29/351980929.db2.gz KCVMJTKVJQJVSZ-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1ccc(=O)[nH]c1 ZINC000638100111 351980930 /nfs/dbraw/zinc/98/09/30/351980930.db2.gz KCVMJTKVJQJVSZ-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000618874206 351993885 /nfs/dbraw/zinc/99/38/85/351993885.db2.gz MVDKMSBWVZRFGL-WDEREUQCSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000618874206 351993888 /nfs/dbraw/zinc/99/38/88/351993888.db2.gz MVDKMSBWVZRFGL-WDEREUQCSA-N 1 2 247.342 1.819 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008633 351997168 /nfs/dbraw/zinc/99/71/68/351997168.db2.gz ANYLQGKAOSDTEX-YEQXMLPJSA-N 1 2 201.697 1.850 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090008633 351997171 /nfs/dbraw/zinc/99/71/71/351997171.db2.gz ANYLQGKAOSDTEX-YEQXMLPJSA-N 1 2 201.697 1.850 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090008632 351997381 /nfs/dbraw/zinc/99/73/81/351997381.db2.gz ANYLQGKAOSDTEX-DTWDLQQISA-N 1 2 201.697 1.850 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090008632 351997383 /nfs/dbraw/zinc/99/73/83/351997383.db2.gz ANYLQGKAOSDTEX-DTWDLQQISA-N 1 2 201.697 1.850 20 0 BDADLO CCc1nc(N2CC(=O)N(C3CC3)C2)cc(C)[nH+]1 ZINC000287942494 352137369 /nfs/dbraw/zinc/13/73/69/352137369.db2.gz XVTNWGYSQVJQPI-UHFFFAOYSA-N 1 2 246.314 1.116 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000287071946 352112212 /nfs/dbraw/zinc/11/22/12/352112212.db2.gz KEXRZJIUMLIHMY-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO CC[NH2+][C@@H](C)C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000638358601 352170291 /nfs/dbraw/zinc/17/02/91/352170291.db2.gz GPHQKPWIXTXLHJ-JTQLQIEISA-N 1 2 238.335 1.131 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CC1(F)F ZINC000638329725 352150067 /nfs/dbraw/zinc/15/00/67/352150067.db2.gz QUSDXKOPHDOUBM-SVRRBLITSA-N 1 2 201.220 1.543 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1ccccc1 ZINC000336005600 538102285 /nfs/dbraw/zinc/10/22/85/538102285.db2.gz YHJQESVXFSIHIU-UHFFFAOYSA-N 1 2 230.271 1.742 20 0 BDADLO Cn1ccc(CNc2[nH+]c3ccccc3n2C)n1 ZINC000212264189 180706741 /nfs/dbraw/zinc/70/67/41/180706741.db2.gz PULNHVWGNHSOLO-UHFFFAOYSA-N 1 2 241.298 1.919 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cncs1 ZINC000411373035 191181558 /nfs/dbraw/zinc/18/15/58/191181558.db2.gz XAMPUBMMLALSJB-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cncs1 ZINC000411373035 191181560 /nfs/dbraw/zinc/18/15/60/191181560.db2.gz XAMPUBMMLALSJB-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCOCC2CC2)[nH]1 ZINC000411323902 191179212 /nfs/dbraw/zinc/17/92/12/191179212.db2.gz FHQOEFGQYHGBSY-SECBINFHSA-N 1 2 238.335 1.533 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCOCC2CC2)[nH]1 ZINC000411323902 191179214 /nfs/dbraw/zinc/17/92/14/191179214.db2.gz FHQOEFGQYHGBSY-SECBINFHSA-N 1 2 238.335 1.533 20 0 BDADLO Cn1cc[nH+]c1CN(CCO)c1ccccc1 ZINC000078660518 180740104 /nfs/dbraw/zinc/74/01/04/180740104.db2.gz SMPPKNDXCVXZAK-UHFFFAOYSA-N 1 2 231.299 1.419 20 0 BDADLO CCC(CC)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000411545674 191192658 /nfs/dbraw/zinc/19/26/58/191192658.db2.gz XWSNGVXORCYWKW-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NCC(F)(F)CO)C1CC1 ZINC000187784656 180755581 /nfs/dbraw/zinc/75/55/81/180755581.db2.gz AVXOWAWXHHEVGL-VIFPVBQESA-N 1 2 245.273 1.088 20 0 BDADLO C/C=C/CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638689326 352525335 /nfs/dbraw/zinc/52/53/35/352525335.db2.gz ISUBTOJFQQYMEZ-VUDBWIFFSA-N 1 2 240.253 1.657 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)o1 ZINC000638688060 352526526 /nfs/dbraw/zinc/52/65/26/352526526.db2.gz DOTYQGROMLSAFT-IEBDPFPHSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cccn2c(CNCc3cocn3)c[nH+]c12 ZINC000608056384 352651760 /nfs/dbraw/zinc/65/17/60/352651760.db2.gz BMHQGKUIHQIYIN-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO COC1([C@H](C)[NH2+]CC(=O)OC(C)(C)C)CCC1 ZINC000412024060 191237686 /nfs/dbraw/zinc/23/76/86/191237686.db2.gz YITQTIQUGRUCGQ-JTQLQIEISA-N 1 2 243.347 1.875 20 0 BDADLO CC[N@H+](CC(=O)N1CCC1)Cc1occc1C ZINC000412029181 191241565 /nfs/dbraw/zinc/24/15/65/191241565.db2.gz TUNHXQLDQJQSGB-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO CC[N@@H+](CC(=O)N1CCC1)Cc1occc1C ZINC000412029181 191241566 /nfs/dbraw/zinc/24/15/66/191241566.db2.gz TUNHXQLDQJQSGB-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO CC(C)C[N@H+](Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000340764699 352674343 /nfs/dbraw/zinc/67/43/43/352674343.db2.gz VMMXWPWNGKTAHN-UHFFFAOYSA-N 1 2 212.297 1.377 20 0 BDADLO CC(C)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000340764699 352674346 /nfs/dbraw/zinc/67/43/46/352674346.db2.gz VMMXWPWNGKTAHN-UHFFFAOYSA-N 1 2 212.297 1.377 20 0 BDADLO COCC(C)(C)CC(=O)Nc1cc[nH+]cc1C ZINC000412060234 191245615 /nfs/dbraw/zinc/24/56/15/191245615.db2.gz ZIQUHYHSDVBHSD-UHFFFAOYSA-N 1 2 236.315 1.813 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000086935080 352747697 /nfs/dbraw/zinc/74/76/97/352747697.db2.gz VZCARBHSKPUGAP-GJMOJQLCSA-N 1 2 203.307 1.032 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)[C@H](C)CN1C ZINC000334177437 352762971 /nfs/dbraw/zinc/76/29/71/352762971.db2.gz CUEDYRPUOWODSZ-VXGBXAGGSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)[C@H](C)CN1C ZINC000334177437 352762974 /nfs/dbraw/zinc/76/29/74/352762974.db2.gz CUEDYRPUOWODSZ-VXGBXAGGSA-N 1 2 219.332 1.606 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)nn1 ZINC000334181074 352768950 /nfs/dbraw/zinc/76/89/50/352768950.db2.gz CSXOSZMFVPULKO-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccn2C)nn1 ZINC000334181074 352768952 /nfs/dbraw/zinc/76/89/52/352768952.db2.gz CSXOSZMFVPULKO-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO CCc1ccc(C[N@@H+]2CCOC[C@H]2C)nc1 ZINC000334187865 352777152 /nfs/dbraw/zinc/77/71/52/352777152.db2.gz GXRZXDYBRAOKFT-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCOC[C@H]2C)nc1 ZINC000334187865 352777156 /nfs/dbraw/zinc/77/71/56/352777156.db2.gz GXRZXDYBRAOKFT-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CC(C)OC(=O)CC[NH2+][C@H](C)c1csnn1 ZINC000412037260 191248093 /nfs/dbraw/zinc/24/80/93/191248093.db2.gz JIFATWJKOXJUMR-MRVPVSSYSA-N 1 2 243.332 1.530 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCCC1 ZINC000334214393 352813154 /nfs/dbraw/zinc/81/31/54/352813154.db2.gz FHTMRERZJAJYPS-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCCC1 ZINC000334214393 352813157 /nfs/dbraw/zinc/81/31/57/352813157.db2.gz FHTMRERZJAJYPS-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000334204100 352798676 /nfs/dbraw/zinc/79/86/76/352798676.db2.gz RTZYCZYTWAGVGY-JTQLQIEISA-N 1 2 245.282 1.643 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccccc2F)C1 ZINC000334259535 352871438 /nfs/dbraw/zinc/87/14/38/352871438.db2.gz QMUGSOXBTFLXLC-GFCCVEGCSA-N 1 2 227.254 1.732 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccccc2F)C1 ZINC000334259535 352871441 /nfs/dbraw/zinc/87/14/41/352871441.db2.gz QMUGSOXBTFLXLC-GFCCVEGCSA-N 1 2 227.254 1.732 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)CCCOC1 ZINC000334259882 352872531 /nfs/dbraw/zinc/87/25/31/352872531.db2.gz RCIBRMZMASSQIB-GFCCVEGCSA-N 1 2 237.303 1.185 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@H]2CC2(C)C)n1C ZINC000342851703 352875333 /nfs/dbraw/zinc/87/53/33/352875333.db2.gz KEAZTQXYSABTQR-JTQLQIEISA-N 1 2 207.321 1.959 20 0 BDADLO Cn1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)n1 ZINC000334271092 352907864 /nfs/dbraw/zinc/90/78/64/352907864.db2.gz UELHKYPOIXWKPW-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1ccc(C[N@H+]2CCc3ccc(O)cc3C2)n1 ZINC000334271092 352907866 /nfs/dbraw/zinc/90/78/66/352907866.db2.gz UELHKYPOIXWKPW-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CCc1cc(NC[C@@H](CC(C)C)OC)nc[nH+]1 ZINC000642278424 363198853 /nfs/dbraw/zinc/19/88/53/363198853.db2.gz LXBSGVPQCJOPPU-GFCCVEGCSA-N 1 2 237.347 1.934 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000334314909 352945839 /nfs/dbraw/zinc/94/58/39/352945839.db2.gz QCNQBSMBDAENEX-BDAKNGLRSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000334314909 352945842 /nfs/dbraw/zinc/94/58/42/352945842.db2.gz QCNQBSMBDAENEX-BDAKNGLRSA-N 1 2 209.293 1.862 20 0 BDADLO CCC[N@@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343040328 352952302 /nfs/dbraw/zinc/95/23/02/352952302.db2.gz DDIPKPVVQAAZID-UHFFFAOYSA-N 1 2 234.303 1.255 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)[C@@H]2CCCOC2)c[nH+]1 ZINC000334331652 352967586 /nfs/dbraw/zinc/96/75/86/352967586.db2.gz LOJCYGUNIYRDRW-PSASIEDQSA-N 1 2 237.303 1.263 20 0 BDADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000336752188 353076881 /nfs/dbraw/zinc/07/68/81/353076881.db2.gz FXRWTHRVJLSFCI-SSDOTTSWSA-N 1 2 212.297 1.425 20 0 BDADLO CCc1cc(N[C@H](C)C(=O)N(C)CC)nc[nH+]1 ZINC000231866771 538107910 /nfs/dbraw/zinc/10/79/10/538107910.db2.gz HUEFGCLEUBWODT-SECBINFHSA-N 1 2 236.319 1.318 20 0 BDADLO COCc1nc(C[NH2+]C2CSC2)cs1 ZINC000379650470 538108285 /nfs/dbraw/zinc/10/82/85/538108285.db2.gz DXANRRVORBFORU-UHFFFAOYSA-N 1 2 230.358 1.495 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000093107615 538108514 /nfs/dbraw/zinc/10/85/14/538108514.db2.gz HFWKKCIVXBNWQJ-LLVKDONJSA-N 1 2 223.320 1.313 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000093107615 538108515 /nfs/dbraw/zinc/10/85/15/538108515.db2.gz HFWKKCIVXBNWQJ-LLVKDONJSA-N 1 2 223.320 1.313 20 0 BDADLO Cc1cc(N(C)Cc2ccnn2C)nc[nH+]1 ZINC000359907310 188069552 /nfs/dbraw/zinc/06/95/52/188069552.db2.gz VNIGNTZCZXREAQ-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC2(CC2)CC1 ZINC000373538822 188076226 /nfs/dbraw/zinc/07/62/26/188076226.db2.gz PMNRQOMRIJQCHP-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO CC(C)=C(F)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378098503 188079291 /nfs/dbraw/zinc/07/92/91/188079291.db2.gz UVQBWLVBNRVFOG-UHFFFAOYSA-N 1 2 223.251 1.489 20 0 BDADLO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccns1 ZINC000638951135 353156068 /nfs/dbraw/zinc/15/60/68/353156068.db2.gz QUKWJZBSHVZHKW-GFCCVEGCSA-N 1 2 239.388 1.915 20 0 BDADLO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccns1 ZINC000638951135 353156069 /nfs/dbraw/zinc/15/60/69/353156069.db2.gz QUKWJZBSHVZHKW-GFCCVEGCSA-N 1 2 239.388 1.915 20 0 BDADLO CC(C)(O)CNc1cc[nH+]c2ccncc12 ZINC000267193399 188089042 /nfs/dbraw/zinc/08/90/42/188089042.db2.gz HUOKFHFMAFBONU-UHFFFAOYSA-N 1 2 217.272 1.813 20 0 BDADLO Cc1csc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000093336324 538109887 /nfs/dbraw/zinc/10/98/87/538109887.db2.gz YNORFDNSXHZJPV-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1csc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000093336324 538109888 /nfs/dbraw/zinc/10/98/88/538109888.db2.gz YNORFDNSXHZJPV-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CC(=O)NCCCSc1[nH+]cc2ccccn21 ZINC000049064913 188125003 /nfs/dbraw/zinc/12/50/03/188125003.db2.gz PZKSKDUSBBWAKR-UHFFFAOYSA-N 1 2 249.339 1.953 20 0 BDADLO CC(C)(CNc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000110225359 188152723 /nfs/dbraw/zinc/15/27/23/188152723.db2.gz KCPDPQROUOGMHD-UHFFFAOYSA-N 1 2 234.303 1.277 20 0 BDADLO CC(=O)N1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298429 188153623 /nfs/dbraw/zinc/15/36/23/188153623.db2.gz SPOJJYPOGIOQLV-GFCCVEGCSA-N 1 2 247.298 1.339 20 0 BDADLO C/C(=C\c1ccccc1)C[N@H+]1CCN(C)C(=O)C1 ZINC000127368512 188155067 /nfs/dbraw/zinc/15/50/67/188155067.db2.gz HRUBASMKKAENKB-JLHYYAGUSA-N 1 2 244.338 1.864 20 0 BDADLO C/C(=C\c1ccccc1)C[N@@H+]1CCN(C)C(=O)C1 ZINC000127368512 188155070 /nfs/dbraw/zinc/15/50/70/188155070.db2.gz HRUBASMKKAENKB-JLHYYAGUSA-N 1 2 244.338 1.864 20 0 BDADLO CC(C)[C@H](C)CC(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000363627890 188157342 /nfs/dbraw/zinc/15/73/42/188157342.db2.gz PZGRPFNSOSLTMS-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO Oc1cccnc1C[NH2+]Cc1cocn1 ZINC000336649777 188162548 /nfs/dbraw/zinc/16/25/48/188162548.db2.gz IFQUFKJPCIVSJA-UHFFFAOYSA-N 1 2 205.217 1.065 20 0 BDADLO Oc1cccnc1C[NH2+]Cc1cscn1 ZINC000336649999 188162972 /nfs/dbraw/zinc/16/29/72/188162972.db2.gz LIOGNCQMULTPBX-UHFFFAOYSA-N 1 2 221.285 1.534 20 0 BDADLO CC(C)(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000265405209 188195285 /nfs/dbraw/zinc/19/52/85/188195285.db2.gz KCROIDVZKJFQSA-UHFFFAOYSA-N 1 2 237.303 1.005 20 0 BDADLO COc1ccc(C)[nH+]c1NCN1CCC(=O)CC1 ZINC000273136568 188200006 /nfs/dbraw/zinc/20/00/06/188200006.db2.gz WANXBYQNJCGZQY-UHFFFAOYSA-N 1 2 249.314 1.433 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000270826139 188198707 /nfs/dbraw/zinc/19/87/07/188198707.db2.gz SEUSNILTXNSVBN-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000270826139 188198708 /nfs/dbraw/zinc/19/87/08/188198708.db2.gz SEUSNILTXNSVBN-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CC(C)=CC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000111234482 188176186 /nfs/dbraw/zinc/17/61/86/188176186.db2.gz VHOGTWILGRITDZ-GFCCVEGCSA-N 1 2 243.372 1.604 20 0 BDADLO CC(C)=CC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000111234482 188176187 /nfs/dbraw/zinc/17/61/87/188176187.db2.gz VHOGTWILGRITDZ-GFCCVEGCSA-N 1 2 243.372 1.604 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cn(C)nn1 ZINC000336701611 188182705 /nfs/dbraw/zinc/18/27/05/188182705.db2.gz NLRRKCOBMJJRQA-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cn(C)nn1 ZINC000336701611 188182707 /nfs/dbraw/zinc/18/27/07/188182707.db2.gz NLRRKCOBMJJRQA-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000337330711 188185013 /nfs/dbraw/zinc/18/50/13/188185013.db2.gz GVSXCCMXRQXQTK-UHFFFAOYSA-N 1 2 248.317 1.830 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000337209244 188185020 /nfs/dbraw/zinc/18/50/20/188185020.db2.gz ANJOJWPFSGDYFR-NHYWBVRUSA-N 1 2 233.377 1.112 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000337209244 188185022 /nfs/dbraw/zinc/18/50/22/188185022.db2.gz ANJOJWPFSGDYFR-NHYWBVRUSA-N 1 2 233.377 1.112 20 0 BDADLO CC(C)[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337854152 188187421 /nfs/dbraw/zinc/18/74/21/188187421.db2.gz GUIJMOUSAXGSHX-SNVBAGLBSA-N 1 2 245.330 1.846 20 0 BDADLO CC(C)=CCSCC(=O)N1CC[NH+](C)CC1 ZINC000340709832 188216599 /nfs/dbraw/zinc/21/65/99/188216599.db2.gz MOYDPMXRDNQZQH-UHFFFAOYSA-N 1 2 242.388 1.460 20 0 BDADLO Cc1ccc(CSC[C@H](O)CO)c(C)[nH+]1 ZINC000331072425 188219774 /nfs/dbraw/zinc/21/97/74/188219774.db2.gz FFZHATHDOJTOGI-LLVKDONJSA-N 1 2 227.329 1.285 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC000275195305 188201296 /nfs/dbraw/zinc/20/12/96/188201296.db2.gz GNCIVOWRVDILBH-UHFFFAOYSA-N 1 2 242.706 1.755 20 0 BDADLO CC(C)[C@H](NC(=O)c1cccnc1)c1[nH]cc[nH+]1 ZINC000276522066 188202016 /nfs/dbraw/zinc/20/20/16/188202016.db2.gz CFRGDUSLNQTYOD-NSHDSACASA-N 1 2 244.298 1.932 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000280509901 188204750 /nfs/dbraw/zinc/20/47/50/188204750.db2.gz QGZBKLXSJKLXLI-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000280509901 188204751 /nfs/dbraw/zinc/20/47/51/188204751.db2.gz QGZBKLXSJKLXLI-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC1(C)C ZINC000280552318 188204931 /nfs/dbraw/zinc/20/49/31/188204931.db2.gz KDBPODXARTXTQB-SNVBAGLBSA-N 1 2 221.304 1.267 20 0 BDADLO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000283474436 188207161 /nfs/dbraw/zinc/20/71/61/188207161.db2.gz ISHOTZJGTNAQBV-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO CC(C)[N@H+](CCc1ccnn1C)CC(F)F ZINC000284364458 188207171 /nfs/dbraw/zinc/20/71/71/188207171.db2.gz KUYMOPFTXLTPIT-UHFFFAOYSA-N 1 2 231.290 1.938 20 0 BDADLO CC(C)[N@@H+](CCc1ccnn1C)CC(F)F ZINC000284364458 188207173 /nfs/dbraw/zinc/20/71/73/188207173.db2.gz KUYMOPFTXLTPIT-UHFFFAOYSA-N 1 2 231.290 1.938 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284556982 188207325 /nfs/dbraw/zinc/20/73/25/188207325.db2.gz YATUBWIDVCCLEI-ORAHPGNNSA-N 1 2 221.304 1.974 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1C ZINC000284453578 188207556 /nfs/dbraw/zinc/20/75/56/188207556.db2.gz REPAGHOPYVCHSH-SEUFLZDSSA-N 1 2 233.315 1.927 20 0 BDADLO Cc1nc(N2CCC[C@H]2[C@@H]2CCCO2)cc[nH+]1 ZINC000286494225 188208200 /nfs/dbraw/zinc/20/82/00/188208200.db2.gz PUJQQPWOBXBDBY-RYUDHWBXSA-N 1 2 233.315 1.933 20 0 BDADLO C/C=C(/CC)C(=O)NCCNc1cccc[nH+]1 ZINC000289372399 188210788 /nfs/dbraw/zinc/21/07/88/188210788.db2.gz BLHSWKZTZCJJHG-JYOAFUTRSA-N 1 2 233.315 1.966 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000291684331 188211859 /nfs/dbraw/zinc/21/18/59/188211859.db2.gz XLMSBUKUHLFYLA-LBPRGKRZSA-N 1 2 219.288 1.391 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1CCC=CO1)CC2 ZINC000291684331 188211860 /nfs/dbraw/zinc/21/18/60/188211860.db2.gz XLMSBUKUHLFYLA-LBPRGKRZSA-N 1 2 219.288 1.391 20 0 BDADLO c1[nH+]cn2c1CN(C[C@@H]1CCC=CO1)CC2 ZINC000291684331 188211862 /nfs/dbraw/zinc/21/18/62/188211862.db2.gz XLMSBUKUHLFYLA-LBPRGKRZSA-N 1 2 219.288 1.391 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343270647 353289446 /nfs/dbraw/zinc/28/94/46/353289446.db2.gz FNCDMDKNPAKZJP-PSASIEDQSA-N 1 2 246.301 1.488 20 0 BDADLO CC(=O)CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332422072 188227406 /nfs/dbraw/zinc/22/74/06/188227406.db2.gz SOJCUMJWYMVXHI-JTQLQIEISA-N 1 2 235.287 1.442 20 0 BDADLO CC(C)[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000336256308 188228482 /nfs/dbraw/zinc/22/84/82/188228482.db2.gz XRTYGHXSAFGMGD-JTQLQIEISA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000336256308 188228484 /nfs/dbraw/zinc/22/84/84/188228484.db2.gz XRTYGHXSAFGMGD-JTQLQIEISA-N 1 2 208.309 1.673 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccon2)c1C ZINC000307964996 538114807 /nfs/dbraw/zinc/11/48/07/538114807.db2.gz CEYYJQNFGDSBND-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO Cc1cc(N2CCOC[C@H]2[C@H]2CCCO2)nc[nH+]1 ZINC000343278311 353313641 /nfs/dbraw/zinc/31/36/41/353313641.db2.gz WXRPPEYXRIDDLY-NWDGAFQWSA-N 1 2 249.314 1.169 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@H]1O ZINC000253171531 353316998 /nfs/dbraw/zinc/31/69/98/353316998.db2.gz AODXCEAAVPBRFC-BXKDBHETSA-N 1 2 231.299 1.770 20 0 BDADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccno1)C1CC1 ZINC000639041154 353319188 /nfs/dbraw/zinc/31/91/88/353319188.db2.gz HIVBWBBAFIQWQD-NSHDSACASA-N 1 2 232.287 1.649 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@H]1CCCO1 ZINC000334501123 353329253 /nfs/dbraw/zinc/32/92/53/353329253.db2.gz HZFADTHHTHKMIM-BDAKNGLRSA-N 1 2 230.333 1.118 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@H]1CCCO1 ZINC000334501123 353329256 /nfs/dbraw/zinc/32/92/56/353329256.db2.gz HZFADTHHTHKMIM-BDAKNGLRSA-N 1 2 230.333 1.118 20 0 BDADLO Cc1cnc(C(=O)NCc2c[nH+]c(C)cc2C)o1 ZINC000334504388 353354627 /nfs/dbraw/zinc/35/46/27/353354627.db2.gz DTGBHERGDRZQDX-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO COc1ccccc1C[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000398357468 363224196 /nfs/dbraw/zinc/22/41/96/363224196.db2.gz WCFBSHHVOPDREU-SNVBAGLBSA-N 1 2 246.314 1.534 20 0 BDADLO CC[C@H](NC(=O)c1cn(C)nc1C)c1[nH]cc[nH+]1 ZINC000230095403 353447557 /nfs/dbraw/zinc/44/75/57/353447557.db2.gz OWEKGFQNBQUFTE-JTQLQIEISA-N 1 2 247.302 1.333 20 0 BDADLO CCc1nc(C[NH2+][C@H](CC)[C@H]2CCCO2)no1 ZINC000182347066 353470580 /nfs/dbraw/zinc/47/05/80/353470580.db2.gz FDWJGXZVPSUJKQ-NXEZZACHSA-N 1 2 239.319 1.679 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000191767374 353509490 /nfs/dbraw/zinc/50/94/90/353509490.db2.gz LYTXFNWKGOOBDV-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000191767374 353509494 /nfs/dbraw/zinc/50/94/94/353509494.db2.gz LYTXFNWKGOOBDV-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO CC[C@](C)(C[N@@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639099349 353504826 /nfs/dbraw/zinc/50/48/26/353504826.db2.gz PEECNVVBGYAADR-ZYHUDNBSSA-N 1 2 238.335 1.470 20 0 BDADLO CC[C@](C)(C[N@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639099349 353504828 /nfs/dbraw/zinc/50/48/28/353504828.db2.gz PEECNVVBGYAADR-ZYHUDNBSSA-N 1 2 238.335 1.470 20 0 BDADLO CC[C@@H](NC(=O)CC(C)(C)OC)c1[nH]cc[nH+]1 ZINC000230942508 353554734 /nfs/dbraw/zinc/55/47/34/353554734.db2.gz GRGZHHWHHDQWBP-SECBINFHSA-N 1 2 239.319 1.792 20 0 BDADLO c1c[nH+]c(COCCCO[C@H]2CCCCO2)[nH]1 ZINC000189872773 353694422 /nfs/dbraw/zinc/69/44/22/353694422.db2.gz FSWFDPBQSYZELH-LBPRGKRZSA-N 1 2 240.303 1.860 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)c2nccn21 ZINC000379139147 353703940 /nfs/dbraw/zinc/70/39/40/353703940.db2.gz FBFAYCHDHRDPRD-SCZZXKLOSA-N 1 2 217.276 1.402 20 0 BDADLO C[C@@H]1C[C@H](NCc2cc[nH]n2)c2[nH+]ccn21 ZINC000379139147 353703942 /nfs/dbraw/zinc/70/39/42/353703942.db2.gz FBFAYCHDHRDPRD-SCZZXKLOSA-N 1 2 217.276 1.402 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)c2nccn21 ZINC000379139143 353704037 /nfs/dbraw/zinc/70/40/37/353704037.db2.gz FBFAYCHDHRDPRD-PSASIEDQSA-N 1 2 217.276 1.402 20 0 BDADLO C[C@@H]1C[C@@H](NCc2cc[nH]n2)c2[nH+]ccn21 ZINC000379139143 353704041 /nfs/dbraw/zinc/70/40/41/353704041.db2.gz FBFAYCHDHRDPRD-PSASIEDQSA-N 1 2 217.276 1.402 20 0 BDADLO CCn1ncnc1C[N@H+](CCCCO)C1CC1 ZINC000193356460 324201125 /nfs/dbraw/zinc/20/11/25/324201125.db2.gz MPFQOJUXKIUZLK-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCn1ncnc1C[N@@H+](CCCCO)C1CC1 ZINC000193356460 324201129 /nfs/dbraw/zinc/20/11/29/324201129.db2.gz MPFQOJUXKIUZLK-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1(SC)CC1)C1CC1 ZINC000227935749 363259118 /nfs/dbraw/zinc/25/91/18/363259118.db2.gz ONZHNMKQHSCBDG-VIFPVBQESA-N 1 2 229.345 1.423 20 0 BDADLO CC(C)C[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000232615498 353741384 /nfs/dbraw/zinc/74/13/84/353741384.db2.gz HLMJOTCYDONFMO-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)C[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000232615498 353741386 /nfs/dbraw/zinc/74/13/86/353741386.db2.gz HLMJOTCYDONFMO-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO Fc1cnc(NCc2cn3c([nH+]2)CCCC3)nc1 ZINC000269451440 181018543 /nfs/dbraw/zinc/01/85/43/181018543.db2.gz DVRLHECNLPFVAF-UHFFFAOYSA-N 1 2 247.277 1.761 20 0 BDADLO CC(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343364560 353873087 /nfs/dbraw/zinc/87/30/87/353873087.db2.gz ZBKKBJMSZWHARK-UHFFFAOYSA-N 1 2 244.298 1.921 20 0 BDADLO c1cc(C[NH2+][C@H]2CCO[C@H]2c2cccnc2)[nH]n1 ZINC000343383811 353875719 /nfs/dbraw/zinc/87/57/19/353875719.db2.gz IPXWMCGWDMPCEE-STQMWFEESA-N 1 2 244.298 1.425 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]c2cccnc12 ZINC000343471333 353900224 /nfs/dbraw/zinc/90/02/24/353900224.db2.gz IHGBPOCMRLXTMD-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000343743897 353970445 /nfs/dbraw/zinc/97/04/45/353970445.db2.gz KRZGWQYWTLIWGQ-MJVIPROJSA-N 1 2 215.362 1.794 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000343743897 353970447 /nfs/dbraw/zinc/97/04/47/353970447.db2.gz KRZGWQYWTLIWGQ-MJVIPROJSA-N 1 2 215.362 1.794 20 0 BDADLO CCC[C@@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343752874 353972977 /nfs/dbraw/zinc/97/29/77/353972977.db2.gz SDMBSHVMQKDYMH-SECBINFHSA-N 1 2 238.335 1.878 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)F)[C@]12CCCO2 ZINC000639163901 353960294 /nfs/dbraw/zinc/96/02/94/353960294.db2.gz YMFXUMYIVNIOQC-FXPVBKGRSA-N 1 2 235.274 1.568 20 0 BDADLO Cc1cc(N2CCC[C@](F)(CO)C2)nc[nH+]1 ZINC000343793956 353998626 /nfs/dbraw/zinc/99/86/26/353998626.db2.gz VMINLAYPCUTHLK-LLVKDONJSA-N 1 2 225.267 1.086 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3c(n2)CCC3)CCO1 ZINC000334558448 354006777 /nfs/dbraw/zinc/00/67/77/354006777.db2.gz ANUKVGZWRLAFQE-NSHDSACASA-N 1 2 232.327 1.791 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3c(n2)CCC3)CCO1 ZINC000334558448 354006779 /nfs/dbraw/zinc/00/67/79/354006779.db2.gz ANUKVGZWRLAFQE-NSHDSACASA-N 1 2 232.327 1.791 20 0 BDADLO CCCCNc1cc(N[C@H]2CC[C@@H]2C)nc(N)[nH+]1 ZINC000343803377 354007696 /nfs/dbraw/zinc/00/76/96/354007696.db2.gz GCFBGZQYPDIVDZ-UWVGGRQHSA-N 1 2 249.362 1.733 20 0 BDADLO CCCCNc1cc(N[C@H]2CC[C@@H]2C)[nH+]c(N)n1 ZINC000343803377 354007697 /nfs/dbraw/zinc/00/76/97/354007697.db2.gz GCFBGZQYPDIVDZ-UWVGGRQHSA-N 1 2 249.362 1.733 20 0 BDADLO Cc1cn2cc(NC(=O)c3c[nH]cn3)ccc2[nH+]1 ZINC000343812470 354011611 /nfs/dbraw/zinc/01/16/11/354011611.db2.gz CJRMPSMPIVZWFY-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ncccc1O ZINC000343858000 354024096 /nfs/dbraw/zinc/02/40/96/354024096.db2.gz WKXQMHWZONPFPV-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H](C)O1 ZINC000334560230 354112480 /nfs/dbraw/zinc/11/24/80/354112480.db2.gz ZVWHRVDVLDOUFZ-AOOOYVTPSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H](C)O1 ZINC000334560230 354112483 /nfs/dbraw/zinc/11/24/83/354112483.db2.gz ZVWHRVDVLDOUFZ-AOOOYVTPSA-N 1 2 243.738 1.646 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccc(F)cn2)s1 ZINC000529541350 324332079 /nfs/dbraw/zinc/33/20/79/324332079.db2.gz KIVCDDJJYZVSBW-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056794 354126631 /nfs/dbraw/zinc/12/66/31/354126631.db2.gz KFCAWBVYXRNAHB-NXEZZACHSA-N 1 2 238.335 1.736 20 0 BDADLO CC[C@@H](C)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056794 354126634 /nfs/dbraw/zinc/12/66/34/354126634.db2.gz KFCAWBVYXRNAHB-NXEZZACHSA-N 1 2 238.335 1.736 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccccc1O ZINC000344163753 354168486 /nfs/dbraw/zinc/16/84/86/354168486.db2.gz NKZFIFCTAQJJHD-UHFFFAOYSA-N 1 2 223.272 1.040 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccccc1O ZINC000344163753 354168489 /nfs/dbraw/zinc/16/84/89/354168489.db2.gz NKZFIFCTAQJJHD-UHFFFAOYSA-N 1 2 223.272 1.040 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000366858212 354142235 /nfs/dbraw/zinc/14/22/35/354142235.db2.gz NPKYHMZTAHYMAC-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000366858212 354142239 /nfs/dbraw/zinc/14/22/39/354142239.db2.gz NPKYHMZTAHYMAC-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000366858214 354142646 /nfs/dbraw/zinc/14/26/46/354142646.db2.gz NPKYHMZTAHYMAC-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000366858214 354142648 /nfs/dbraw/zinc/14/26/48/354142648.db2.gz NPKYHMZTAHYMAC-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO CCC[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344147848 354154164 /nfs/dbraw/zinc/15/41/64/354154164.db2.gz RFGCJOYQZSKFEU-VHSXEESVSA-N 1 2 238.335 1.878 20 0 BDADLO CCC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344147848 354154168 /nfs/dbraw/zinc/15/41/68/354154168.db2.gz RFGCJOYQZSKFEU-VHSXEESVSA-N 1 2 238.335 1.878 20 0 BDADLO CCOC(C)(C)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000232008000 363360556 /nfs/dbraw/zinc/36/05/56/363360556.db2.gz LCXFSHSNRHEMDD-SNVBAGLBSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)sn1 ZINC000639178701 354259216 /nfs/dbraw/zinc/25/92/16/354259216.db2.gz MOBRRBKBMXGPAO-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)sn1 ZINC000639178701 354259220 /nfs/dbraw/zinc/25/92/20/354259220.db2.gz MOBRRBKBMXGPAO-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C12CCC(CC1)C2 ZINC000344461985 354264783 /nfs/dbraw/zinc/26/47/83/354264783.db2.gz RFEQEBYVBPOWDK-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)n(C)n1 ZINC000334604653 354285677 /nfs/dbraw/zinc/28/56/77/354285677.db2.gz XUBQICZBUPNVJJ-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)n(C)n1 ZINC000334604653 354285680 /nfs/dbraw/zinc/28/56/80/354285680.db2.gz XUBQICZBUPNVJJ-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO C[C@@H]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000577975291 366154951 /nfs/dbraw/zinc/15/49/51/366154951.db2.gz HRTUJYRCQAIHBU-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO O[C@H]([C@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000334621959 354359176 /nfs/dbraw/zinc/35/91/76/354359176.db2.gz VATUVPRAKPOGJD-WCBMZHEXSA-N 1 2 246.232 1.831 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000529857151 324411186 /nfs/dbraw/zinc/41/11/86/324411186.db2.gz BMGFWGNVSXHMSU-MFKMUULPSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](CCO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179046378 366201639 /nfs/dbraw/zinc/20/16/39/366201639.db2.gz HNMDCEXIAIWNTG-NSHDSACASA-N 1 2 247.298 1.225 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CCc2ccc(F)cc2C1 ZINC000179077186 366203763 /nfs/dbraw/zinc/20/37/63/366203763.db2.gz ZUIPNHQYUYDOHH-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CCc2ccc(F)cc2C1 ZINC000179077186 366203774 /nfs/dbraw/zinc/20/37/74/366203774.db2.gz ZUIPNHQYUYDOHH-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO COC1(C)C[NH+](Cc2scnc2C)C1 ZINC000334644358 354402365 /nfs/dbraw/zinc/40/23/65/354402365.db2.gz HYQLTTCIZYEMEJ-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C)n1 ZINC000334672861 354415594 /nfs/dbraw/zinc/41/55/94/354415594.db2.gz RIMIFECACOEKJJ-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)n1 ZINC000334672861 354415599 /nfs/dbraw/zinc/41/55/99/354415599.db2.gz RIMIFECACOEKJJ-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCC=C(F)C2)CCO1 ZINC000335921474 134007661 /nfs/dbraw/zinc/00/76/61/134007661.db2.gz JXOWZHSBNQYFLD-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCC=C(F)C2)CCO1 ZINC000335921474 134007662 /nfs/dbraw/zinc/00/76/62/134007662.db2.gz JXOWZHSBNQYFLD-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1CN(CC[N@@H+]2CCC=C(F)C2)CCO1 ZINC000335921474 134007663 /nfs/dbraw/zinc/00/76/63/134007663.db2.gz JXOWZHSBNQYFLD-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1CN(CC[N@H+]2CCC=C(F)C2)CCO1 ZINC000335921474 134007664 /nfs/dbraw/zinc/00/76/64/134007664.db2.gz JXOWZHSBNQYFLD-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2cccnc2)no1 ZINC000349654343 366209091 /nfs/dbraw/zinc/20/90/91/366209091.db2.gz VFSUSPVQQPJLIF-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2ccccn2)no1 ZINC000349652157 366209301 /nfs/dbraw/zinc/20/93/01/366209301.db2.gz ITBVPYYTKZVJOY-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc[nH]n1 ZINC000334653361 354446623 /nfs/dbraw/zinc/44/66/23/354446623.db2.gz SQRRILNKAVOBCO-UHFFFAOYSA-N 1 2 231.259 1.195 20 0 BDADLO Cn1cccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334694946 354486115 /nfs/dbraw/zinc/48/61/15/354486115.db2.gz HFIPVSUNKNDMNQ-UHFFFAOYSA-N 1 2 244.298 1.810 20 0 BDADLO C[C@H]1C[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)CO1 ZINC000334665172 354467051 /nfs/dbraw/zinc/46/70/51/354467051.db2.gz DCFBIDPDBSZUIK-UWVGGRQHSA-N 1 2 249.314 1.583 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CC1(O)CCC1 ZINC000334728144 354528807 /nfs/dbraw/zinc/52/88/07/354528807.db2.gz PDAFTZWLRQNQKM-UHFFFAOYSA-N 1 2 220.272 1.056 20 0 BDADLO COC1CN(Cc2c[nH+]c3cc(C)ccn23)C1 ZINC000334732886 354532930 /nfs/dbraw/zinc/53/29/30/354532930.db2.gz ZJGRFBNUNGVMOL-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO Cc1cc(C[NH+]2CC(C(C)(C)O)C2)no1 ZINC000334722425 354522368 /nfs/dbraw/zinc/52/23/68/354522368.db2.gz PQZHRYJEQOLGRC-UHFFFAOYSA-N 1 2 210.277 1.186 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC12CCC2 ZINC000334803052 354558597 /nfs/dbraw/zinc/55/85/97/354558597.db2.gz ZYBKLQZGLQIGLW-UHFFFAOYSA-N 1 2 220.320 1.987 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC12CCC2 ZINC000334803052 354558601 /nfs/dbraw/zinc/55/86/01/354558601.db2.gz ZYBKLQZGLQIGLW-UHFFFAOYSA-N 1 2 220.320 1.987 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@H](F)C1 ZINC000335089641 354625014 /nfs/dbraw/zinc/62/50/14/354625014.db2.gz FYDWEFYJYDXOQM-UWVGGRQHSA-N 1 2 239.294 1.565 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000335092110 354628378 /nfs/dbraw/zinc/62/83/78/354628378.db2.gz LJBTZRFZGJORKL-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335095060 354633682 /nfs/dbraw/zinc/63/36/82/354633682.db2.gz HHMPZQXYVUNGLF-KOLCDFICSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335095060 354633684 /nfs/dbraw/zinc/63/36/84/354633684.db2.gz HHMPZQXYVUNGLF-KOLCDFICSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@@H](C)O2)c[nH+]1 ZINC000335083410 354616888 /nfs/dbraw/zinc/61/68/88/354616888.db2.gz IDAOKTUYKLUICH-VXNVDRBHSA-N 1 2 223.276 1.015 20 0 BDADLO CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345627733 354718003 /nfs/dbraw/zinc/71/80/03/354718003.db2.gz KYTHEZKPNJWWKC-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1F ZINC000345632650 354719364 /nfs/dbraw/zinc/71/93/64/354719364.db2.gz QXQJWODGRYMIJH-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1F ZINC000345632650 354719366 /nfs/dbraw/zinc/71/93/66/354719366.db2.gz QXQJWODGRYMIJH-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO COc1cncc(C[N@H+](C2CC2)C2COC2)c1C ZINC000639215760 354831712 /nfs/dbraw/zinc/83/17/12/354831712.db2.gz GQLDZAORGGTXTC-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO COc1cncc(C[N@@H+](C2CC2)C2COC2)c1C ZINC000639215760 354831716 /nfs/dbraw/zinc/83/17/16/354831716.db2.gz GQLDZAORGGTXTC-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000233655227 363405081 /nfs/dbraw/zinc/40/50/81/363405081.db2.gz NQDGBVOIQFCXIL-ZJUUUORDSA-N 1 2 231.361 1.813 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2CC2)n1 ZINC000335167659 354927609 /nfs/dbraw/zinc/92/76/09/354927609.db2.gz JTMKNVCMPMJODH-UHFFFAOYSA-N 1 2 204.233 1.271 20 0 BDADLO C[C@H](c1nnnn1C)[NH+]1CCC(C(F)F)CC1 ZINC000346431963 354930993 /nfs/dbraw/zinc/93/09/93/354930993.db2.gz JPHBXWGQBAESMM-SSDOTTSWSA-N 1 2 245.277 1.248 20 0 BDADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000335178032 354948680 /nfs/dbraw/zinc/94/86/80/354948680.db2.gz UHPWTCPZUKXGSR-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000335178032 354948684 /nfs/dbraw/zinc/94/86/84/354948684.db2.gz UHPWTCPZUKXGSR-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000335179799 354953629 /nfs/dbraw/zinc/95/36/29/354953629.db2.gz WGFRCVQKNRRQKA-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000335179799 354953634 /nfs/dbraw/zinc/95/36/34/354953634.db2.gz WGFRCVQKNRRQKA-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO CCCCO[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346567498 354971294 /nfs/dbraw/zinc/97/12/94/354971294.db2.gz QLWANVMQMHYWTA-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO CCc1cccc(C[N@H+]2CCN(CC)C(=O)C2)c1 ZINC000346573210 354972853 /nfs/dbraw/zinc/97/28/53/354972853.db2.gz QJNPBELPNMCTQJ-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO CCc1cccc(C[N@@H+]2CCN(CC)C(=O)C2)c1 ZINC000346573210 354972856 /nfs/dbraw/zinc/97/28/56/354972856.db2.gz QJNPBELPNMCTQJ-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO COCC1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000351964020 134024769 /nfs/dbraw/zinc/02/47/69/134024769.db2.gz KKCIIVUBPPIZGT-UHFFFAOYSA-N 1 2 220.272 1.177 20 0 BDADLO CC(C)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335204024 355038733 /nfs/dbraw/zinc/03/87/33/355038733.db2.gz RCKVPOROCXQIOO-SNVBAGLBSA-N 1 2 236.319 1.153 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCOC1 ZINC000335204981 355039578 /nfs/dbraw/zinc/03/95/78/355039578.db2.gz JFYYBZHVIDLZDD-SNVBAGLBSA-N 1 2 220.272 1.673 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335207858 355044513 /nfs/dbraw/zinc/04/45/13/355044513.db2.gz LNNBQZNBJKVERB-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@@H](F)C2)c1C ZINC000639227603 355050967 /nfs/dbraw/zinc/05/09/67/355050967.db2.gz KYIAIYGEIVADLO-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@@H](F)C2)c1C ZINC000639227603 355050969 /nfs/dbraw/zinc/05/09/69/355050969.db2.gz KYIAIYGEIVADLO-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)cn2)[C@@H](C)C1=O ZINC000335218756 355058127 /nfs/dbraw/zinc/05/81/27/355058127.db2.gz DPUIMIGXDMSKMP-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)cn2)[C@@H](C)C1=O ZINC000335218756 355058130 /nfs/dbraw/zinc/05/81/30/355058130.db2.gz DPUIMIGXDMSKMP-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1nccc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000346781237 355115070 /nfs/dbraw/zinc/11/50/70/355115070.db2.gz QKWZMBOTIGLIPH-UHFFFAOYSA-N 1 2 241.298 1.486 20 0 BDADLO Cc1cc(NC(=O)CCOCC2CC2)cc[nH+]1 ZINC000346817863 355123998 /nfs/dbraw/zinc/12/39/98/355123998.db2.gz OXXYLEBVHKPUFL-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000346847252 355136562 /nfs/dbraw/zinc/13/65/62/355136562.db2.gz OPXMKXCLZZHPLY-MNOVXSKESA-N 1 2 238.335 1.377 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000346847252 355136564 /nfs/dbraw/zinc/13/65/64/355136564.db2.gz OPXMKXCLZZHPLY-MNOVXSKESA-N 1 2 238.335 1.377 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1nncn1C ZINC000346908317 355150892 /nfs/dbraw/zinc/15/08/92/355150892.db2.gz RTQADMZNFWBIEM-WDEREUQCSA-N 1 2 238.335 1.377 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1nncn1C ZINC000346908317 355150897 /nfs/dbraw/zinc/15/08/97/355150897.db2.gz RTQADMZNFWBIEM-WDEREUQCSA-N 1 2 238.335 1.377 20 0 BDADLO CCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413091460 191355373 /nfs/dbraw/zinc/35/53/73/191355373.db2.gz ILLIIJIOIFIDAX-UHFFFAOYSA-N 1 2 206.293 1.897 20 0 BDADLO CCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413091460 191355375 /nfs/dbraw/zinc/35/53/75/191355375.db2.gz ILLIIJIOIFIDAX-UHFFFAOYSA-N 1 2 206.293 1.897 20 0 BDADLO C[C@H](O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413134935 191358903 /nfs/dbraw/zinc/35/89/03/191358903.db2.gz FQBXAXCALDRTKM-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@H](O)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413134935 191358906 /nfs/dbraw/zinc/35/89/06/191358906.db2.gz FQBXAXCALDRTKM-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO Cc1nc(C)c(N(C)Cc2[nH]cc[nH+]2)nc1C ZINC000413149130 191360569 /nfs/dbraw/zinc/36/05/69/191360569.db2.gz REZORBOUSADHFE-UHFFFAOYSA-N 1 2 231.303 1.761 20 0 BDADLO Cc1cc(N2CCCO[C@@H](CF)C2)nc[nH+]1 ZINC000413484520 191387702 /nfs/dbraw/zinc/38/77/02/191387702.db2.gz RSTKFKSGJBPDOK-JTQLQIEISA-N 1 2 225.267 1.350 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000347641296 355271420 /nfs/dbraw/zinc/27/14/20/355271420.db2.gz RHHKPPXBPGBWEV-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000347641296 355271424 /nfs/dbraw/zinc/27/14/24/355271424.db2.gz RHHKPPXBPGBWEV-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO Cc1cc(NCC(C)(C)c2cccnc2)nc[nH+]1 ZINC000413580507 191395175 /nfs/dbraw/zinc/39/51/75/191395175.db2.gz DNUSXVBJVAEYMQ-UHFFFAOYSA-N 1 2 242.326 1.992 20 0 BDADLO C[C@H](CCCO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413190678 191361992 /nfs/dbraw/zinc/36/19/92/191361992.db2.gz XJOIGALOODPEGA-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO C[C@H](CCCO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413190678 191361994 /nfs/dbraw/zinc/36/19/94/191361994.db2.gz XJOIGALOODPEGA-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO Cc1ncc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)n1 ZINC000347597521 355251028 /nfs/dbraw/zinc/25/10/28/355251028.db2.gz PYFGSGUPMIBKIV-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO C[C@H](O)[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241827 191363321 /nfs/dbraw/zinc/36/33/21/191363321.db2.gz UBUGJSAWYXKMOP-VHSXEESVSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H](O)[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241827 191363323 /nfs/dbraw/zinc/36/33/23/191363323.db2.gz UBUGJSAWYXKMOP-VHSXEESVSA-N 1 2 248.330 1.258 20 0 BDADLO O[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C(F)F ZINC000413273050 191368177 /nfs/dbraw/zinc/36/81/77/191368177.db2.gz SBXANKRWUFGEAP-ZETCQYMHSA-N 1 2 244.245 1.089 20 0 BDADLO O[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C(F)F ZINC000413273050 191368178 /nfs/dbraw/zinc/36/81/78/191368178.db2.gz SBXANKRWUFGEAP-ZETCQYMHSA-N 1 2 244.245 1.089 20 0 BDADLO CC(C)c1nccnc1N1CCn2c[nH+]cc2C1 ZINC000413308502 191371878 /nfs/dbraw/zinc/37/18/78/191371878.db2.gz JUWAHCWJANZLLP-UHFFFAOYSA-N 1 2 243.314 1.817 20 0 BDADLO CC[C@H](CO)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413322873 191372993 /nfs/dbraw/zinc/37/29/93/191372993.db2.gz HQRHXCTYGWLLFS-SNVBAGLBSA-N 1 2 236.319 1.258 20 0 BDADLO CC[C@H](CO)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413322873 191372996 /nfs/dbraw/zinc/37/29/96/191372996.db2.gz HQRHXCTYGWLLFS-SNVBAGLBSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H]1C[C@H](O)CN(c2cc[nH+]c3ccncc32)C1 ZINC000413593772 191398315 /nfs/dbraw/zinc/39/83/15/191398315.db2.gz XYKRXFNHDFZOJV-MNOVXSKESA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]2CC(C)C)[nH+]1 ZINC000413414591 191381903 /nfs/dbraw/zinc/38/19/03/191381903.db2.gz VFLNORILNXNWIX-GHMZBOCLSA-N 1 2 249.362 1.514 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2CC(C)C)nc(N(C)C)[nH+]1 ZINC000413414591 191381906 /nfs/dbraw/zinc/38/19/06/191381906.db2.gz VFLNORILNXNWIX-GHMZBOCLSA-N 1 2 249.362 1.514 20 0 BDADLO CC(C)n1cc(C[NH+]2CC(C)(O)C2)cn1 ZINC000639253693 355292010 /nfs/dbraw/zinc/29/20/10/355292010.db2.gz FOXTXSVPEKVTQA-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cc1ncc([C@@H](C)[NH+]2CC(C)(O)C2)c(C)n1 ZINC000639253881 355292745 /nfs/dbraw/zinc/29/27/45/355292745.db2.gz STYDKSBPAGNTFW-SECBINFHSA-N 1 2 221.304 1.221 20 0 BDADLO CO[C@H](CC(C)C)C[NH+]1CC(OC(F)F)C1 ZINC000639269015 355330605 /nfs/dbraw/zinc/33/06/05/355330605.db2.gz YXYCWPODFOOPCZ-SECBINFHSA-N 1 2 237.290 1.971 20 0 BDADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccon1 ZINC000349242460 355375211 /nfs/dbraw/zinc/37/52/11/355375211.db2.gz LVWKDNDBYKMBBG-JTQLQIEISA-N 1 2 245.282 1.964 20 0 BDADLO CCC(CC)NC(=O)CCCn1cc[nH+]c1 ZINC000623239038 355389272 /nfs/dbraw/zinc/38/92/72/355389272.db2.gz WZJSFVUOXDMRSG-UHFFFAOYSA-N 1 2 223.320 1.968 20 0 BDADLO CCN(C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000349688298 355411626 /nfs/dbraw/zinc/41/16/26/355411626.db2.gz BGMOISODAUPJDD-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO Cc1cnn(CC(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000335788669 355439319 /nfs/dbraw/zinc/43/93/19/355439319.db2.gz DRNIHXMLPGUWLJ-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO CCN1CC[N@H+](C[C@H]2CCC(C)(C)O2)CC1=O ZINC000335796392 355452478 /nfs/dbraw/zinc/45/24/78/355452478.db2.gz WINSMBYKXFROEI-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCN1CC[N@@H+](C[C@H]2CCC(C)(C)O2)CC1=O ZINC000335796392 355452483 /nfs/dbraw/zinc/45/24/83/355452483.db2.gz WINSMBYKXFROEI-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCOc1nnc(C[N@H+](C)CCCCO)s1 ZINC000349954943 355536235 /nfs/dbraw/zinc/53/62/35/355536235.db2.gz QCZFMFFHCDELOX-UHFFFAOYSA-N 1 2 245.348 1.141 20 0 BDADLO CCOc1nnc(C[N@@H+](C)CCCCO)s1 ZINC000349954943 355536236 /nfs/dbraw/zinc/53/62/36/355536236.db2.gz QCZFMFFHCDELOX-UHFFFAOYSA-N 1 2 245.348 1.141 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC(C)(C)C1 ZINC000335820167 355537373 /nfs/dbraw/zinc/53/73/73/355537373.db2.gz RXZRDJLZOKRIFQ-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC(C)(C)C1 ZINC000335820167 355537376 /nfs/dbraw/zinc/53/73/76/355537376.db2.gz RXZRDJLZOKRIFQ-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335821391 355540289 /nfs/dbraw/zinc/54/02/89/355540289.db2.gz DMDUXXPYLCECTH-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335821391 355540292 /nfs/dbraw/zinc/54/02/92/355540292.db2.gz DMDUXXPYLCECTH-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C(c1nnc2n1CCCC2)[N@@H+]1CCC12CCC2 ZINC000335827528 355552792 /nfs/dbraw/zinc/55/27/92/355552792.db2.gz FYXFOWXRJGELED-UHFFFAOYSA-N 1 2 232.331 1.743 20 0 BDADLO C(c1nnc2n1CCCC2)[N@H+]1CCC12CCC2 ZINC000335827528 355552796 /nfs/dbraw/zinc/55/27/96/355552796.db2.gz FYXFOWXRJGELED-UHFFFAOYSA-N 1 2 232.331 1.743 20 0 BDADLO C[C@H]1[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1(F)F ZINC000335830402 355556796 /nfs/dbraw/zinc/55/67/96/355556796.db2.gz PEZLLTYHSXXENV-IONNQARKSA-N 1 2 241.241 1.127 20 0 BDADLO C[C@H]1[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1(F)F ZINC000335830401 355556997 /nfs/dbraw/zinc/55/69/97/355556997.db2.gz PEZLLTYHSXXENV-CBAPKCEASA-N 1 2 241.241 1.127 20 0 BDADLO C[NH2+]Cc1noc([C@H](C)OCCC(C)C)n1 ZINC000349896544 355521318 /nfs/dbraw/zinc/52/13/18/355521318.db2.gz RIDSPTYWDWGYIC-VIFPVBQESA-N 1 2 227.308 1.913 20 0 BDADLO C[NH2+]Cc1noc(COc2cccc(OC)c2)n1 ZINC000349893991 355521589 /nfs/dbraw/zinc/52/15/89/355521589.db2.gz OLZJNPFPBGOZTB-UHFFFAOYSA-N 1 2 249.270 1.377 20 0 BDADLO C[NH2+]Cc1noc([C@H](C)c2cccc(OC)c2)n1 ZINC000349919663 355527308 /nfs/dbraw/zinc/52/73/08/355527308.db2.gz HWYHXPFRHIDFNR-SECBINFHSA-N 1 2 247.298 1.949 20 0 BDADLO C[C@@H]1C[C@@H](CO)CN(c2cc(CO)cc[nH+]2)C1 ZINC000398687432 363451989 /nfs/dbraw/zinc/45/19/89/363451989.db2.gz FQSUPUXZKYKKOM-ZYHUDNBSSA-N 1 2 236.315 1.029 20 0 BDADLO c1cc2cc(NCCC[C@H]3CCO3)[nH+]cc2[nH]1 ZINC000639296608 355595355 /nfs/dbraw/zinc/59/53/55/355595355.db2.gz NYVBXTXUMWXJEQ-NSHDSACASA-N 1 2 231.299 1.966 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CC[C@H](C)F)CCO2)n[nH]1 ZINC000352043412 134045579 /nfs/dbraw/zinc/04/55/79/134045579.db2.gz CZEMJASLQRAXHX-WPRPVWTQSA-N 1 2 242.298 1.235 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC12CC2 ZINC000335858797 355604037 /nfs/dbraw/zinc/60/40/37/355604037.db2.gz NKDDUMFULNDVHR-LLVKDONJSA-N 1 2 234.299 1.509 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC12CC2 ZINC000335858797 355604039 /nfs/dbraw/zinc/60/40/39/355604039.db2.gz NKDDUMFULNDVHR-LLVKDONJSA-N 1 2 234.299 1.509 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC000639300846 355633844 /nfs/dbraw/zinc/63/38/44/355633844.db2.gz SCERZZUDVXJZMK-QMMMGPOBSA-N 1 2 248.286 1.672 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC000639300846 355633845 /nfs/dbraw/zinc/63/38/45/355633845.db2.gz SCERZZUDVXJZMK-QMMMGPOBSA-N 1 2 248.286 1.672 20 0 BDADLO CNC(=O)C1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000583594991 355705580 /nfs/dbraw/zinc/70/55/80/355705580.db2.gz XGPUWGVXCLTFKP-UHFFFAOYSA-N 1 2 248.330 1.056 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009614 134050031 /nfs/dbraw/zinc/05/00/31/134050031.db2.gz YNTZAFSYBKFNLN-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009614 134050032 /nfs/dbraw/zinc/05/00/32/134050032.db2.gz YNTZAFSYBKFNLN-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO COc1cc(C[NH2+]CC2(F)CC2)on1 ZINC000639324493 355718825 /nfs/dbraw/zinc/71/88/25/355718825.db2.gz MESYLDYUULFWID-UHFFFAOYSA-N 1 2 200.213 1.275 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639311962 355672954 /nfs/dbraw/zinc/67/29/54/355672954.db2.gz XMCCUQRAFIPGLJ-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@](C)(C[N@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639311962 355672956 /nfs/dbraw/zinc/67/29/56/355672956.db2.gz XMCCUQRAFIPGLJ-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1ccc(C[S@](=O)[C@H]2CCOC2)c(C)[nH+]1 ZINC000335890831 355677923 /nfs/dbraw/zinc/67/79/23/355677923.db2.gz SGESKZPBVJNURY-LRDDRELGSA-N 1 2 239.340 1.736 20 0 BDADLO CCc1nocc1C[N@H+](CC)Cc1cnn(C)c1 ZINC000350684687 355741335 /nfs/dbraw/zinc/74/13/35/355741335.db2.gz ZTROMVLGEFPGMH-UHFFFAOYSA-N 1 2 248.330 1.993 20 0 BDADLO CCc1nocc1C[N@@H+](CC)Cc1cnn(C)c1 ZINC000350684687 355741339 /nfs/dbraw/zinc/74/13/39/355741339.db2.gz ZTROMVLGEFPGMH-UHFFFAOYSA-N 1 2 248.330 1.993 20 0 BDADLO Cc1nc(N2C[C@@H](O)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000350701784 355744384 /nfs/dbraw/zinc/74/43/84/355744384.db2.gz PGLOYVVPUPSPKM-ONGXEEELSA-N 1 2 247.342 1.623 20 0 BDADLO COc1cc(C[NH2+]Cc2ccco2)on1 ZINC000639325654 355724531 /nfs/dbraw/zinc/72/45/31/355724531.db2.gz SZYQLXXRYRPFJI-UHFFFAOYSA-N 1 2 208.217 1.566 20 0 BDADLO COC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OC ZINC000582196938 355731175 /nfs/dbraw/zinc/73/11/75/355731175.db2.gz BSYVCMSNNSINMD-GHMZBOCLSA-N 1 2 227.304 1.263 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N1CCn2cc[nH+]c2C1 ZINC000336015508 134053152 /nfs/dbraw/zinc/05/31/52/134053152.db2.gz VHSLIVUSMWKOGU-UWVGGRQHSA-N 1 2 219.288 1.271 20 0 BDADLO COc1cc(C[NH2+]Cc2c(C)cnn2C)on1 ZINC000639326846 355733123 /nfs/dbraw/zinc/73/31/23/355733123.db2.gz WDZGZJNQKXVVKR-UHFFFAOYSA-N 1 2 236.275 1.015 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C[C@H]1CCCO1 ZINC000425408564 191845167 /nfs/dbraw/zinc/84/51/67/191845167.db2.gz SOGAWOQMEJQIKT-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C[C@H]1CCCO1 ZINC000425408564 191845169 /nfs/dbraw/zinc/84/51/69/191845169.db2.gz SOGAWOQMEJQIKT-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000608497749 355824579 /nfs/dbraw/zinc/82/45/79/355824579.db2.gz ZBRSXZIXLFCIAJ-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000608497749 355824583 /nfs/dbraw/zinc/82/45/83/355824583.db2.gz ZBRSXZIXLFCIAJ-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO c1n[nH]c2c1C[N@H+](CCC[C@@H]1CCO1)CCC2 ZINC000639341572 355783546 /nfs/dbraw/zinc/78/35/46/355783546.db2.gz XNRYDZQYCQGOAU-GFCCVEGCSA-N 1 2 235.331 1.727 20 0 BDADLO c1n[nH]c2c1C[N@@H+](CCC[C@@H]1CCO1)CCC2 ZINC000639341572 355783549 /nfs/dbraw/zinc/78/35/49/355783549.db2.gz XNRYDZQYCQGOAU-GFCCVEGCSA-N 1 2 235.331 1.727 20 0 BDADLO CN(C)c1c[nH+]cc(NC2CCOCC2)c1 ZINC000639363182 355815669 /nfs/dbraw/zinc/81/56/69/355815669.db2.gz BFEFQQRFMBFZHF-UHFFFAOYSA-N 1 2 221.304 1.739 20 0 BDADLO CN(C)c1c[nH+]cc(NC2CSC2)c1 ZINC000639366785 355845343 /nfs/dbraw/zinc/84/53/43/355845343.db2.gz YXVWSIVOSOCBMS-UHFFFAOYSA-N 1 2 209.318 1.675 20 0 BDADLO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363388 355846222 /nfs/dbraw/zinc/84/62/22/355846222.db2.gz IAYSIAOQGCIAJD-WCBMZHEXSA-N 1 2 240.376 1.815 20 0 BDADLO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363388 355846225 /nfs/dbraw/zinc/84/62/25/355846225.db2.gz IAYSIAOQGCIAJD-WCBMZHEXSA-N 1 2 240.376 1.815 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2cnns2)cn1 ZINC000400210515 355851031 /nfs/dbraw/zinc/85/10/31/355851031.db2.gz BMWSBSJQNHETQY-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cocn1 ZINC000639370153 355860630 /nfs/dbraw/zinc/86/06/30/355860630.db2.gz IJLVLWZAZKYFNJ-GFCCVEGCSA-N 1 2 237.303 1.165 20 0 BDADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cocn1 ZINC000639370153 355860632 /nfs/dbraw/zinc/86/06/32/355860632.db2.gz IJLVLWZAZKYFNJ-GFCCVEGCSA-N 1 2 237.303 1.165 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000639363679 355829570 /nfs/dbraw/zinc/82/95/70/355829570.db2.gz DTZLPFLMLIWBLU-ZWNOBZJWSA-N 1 2 235.331 1.985 20 0 BDADLO CCCN(CC)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261547558 535294091 /nfs/dbraw/zinc/29/40/91/535294091.db2.gz MLIHWPNGNITTPD-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO CC1([NH2+]Cc2ncc(Cl)s2)COC1 ZINC000639381261 355918132 /nfs/dbraw/zinc/91/81/32/355918132.db2.gz UBKBCJFJPUUGOQ-UHFFFAOYSA-N 1 2 218.709 1.675 20 0 BDADLO NC(=O)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000266886758 181216821 /nfs/dbraw/zinc/21/68/21/181216821.db2.gz QSNMMXPMCLLHSJ-YVMONPNESA-N 1 2 237.130 1.503 20 0 BDADLO C[C@H](CO)[C@H](C)[NH2+]Cc1nnsc1Cl ZINC000389215515 355885036 /nfs/dbraw/zinc/88/50/36/355885036.db2.gz KGLRUOZOBZALEP-RITPCOANSA-N 1 2 235.740 1.298 20 0 BDADLO CCc1cnc(C[NH+]2CC(CC(N)=O)C2)s1 ZINC000582227230 355983507 /nfs/dbraw/zinc/98/35/07/355983507.db2.gz NOYPUEKPGJETAO-UHFFFAOYSA-N 1 2 239.344 1.013 20 0 BDADLO Cn1ncnc1C[NH+]1CCC(C)(F)CC1 ZINC000639388510 356006706 /nfs/dbraw/zinc/00/67/06/356006706.db2.gz FNMGYOLRIOKTQF-UHFFFAOYSA-N 1 2 212.272 1.139 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@H](C)C2)c[nH+]1 ZINC000336063353 134069528 /nfs/dbraw/zinc/06/95/28/134069528.db2.gz OHFONJBDOWTWDB-IONNQARKSA-N 1 2 207.277 1.637 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351491925 356000825 /nfs/dbraw/zinc/00/08/25/356000825.db2.gz KQWYWKLVRPBVNJ-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351491925 356000826 /nfs/dbraw/zinc/00/08/26/356000826.db2.gz KQWYWKLVRPBVNJ-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000351496186 356002954 /nfs/dbraw/zinc/00/29/54/356002954.db2.gz VXMPPKUVSCVSDC-INIZCTEOSA-N 1 2 247.404 1.644 20 0 BDADLO CC(C)(C)OCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000351496186 356002957 /nfs/dbraw/zinc/00/29/57/356002957.db2.gz VXMPPKUVSCVSDC-INIZCTEOSA-N 1 2 247.404 1.644 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@H](C)C2)no1 ZINC000351497571 356003989 /nfs/dbraw/zinc/00/39/89/356003989.db2.gz ULYLQQIFYXMVSO-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@H](C)C2)no1 ZINC000351497571 356003991 /nfs/dbraw/zinc/00/39/91/356003991.db2.gz ULYLQQIFYXMVSO-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351522535 356007677 /nfs/dbraw/zinc/00/76/77/356007677.db2.gz LQVGYHANLXKGCI-IONNQARKSA-N 1 2 211.265 1.160 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351522535 356007682 /nfs/dbraw/zinc/00/76/82/356007682.db2.gz LQVGYHANLXKGCI-IONNQARKSA-N 1 2 211.265 1.160 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](C(C)C)C1 ZINC000351138429 355953136 /nfs/dbraw/zinc/95/31/36/355953136.db2.gz DEYZVJQBYOUXHL-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO Cc1cc(N2C[C@H](O)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000351505991 356004583 /nfs/dbraw/zinc/00/45/83/356004583.db2.gz QRMZWSGTPSXIOO-KWQFWETISA-N 1 2 233.315 1.479 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CCC(C)CC1)[C@H](C)O ZINC000351521841 356007788 /nfs/dbraw/zinc/00/77/88/356007788.db2.gz IOWHJXRCXNPPGA-ADPBJBESSA-N 1 2 243.347 1.325 20 0 BDADLO CCOCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748399 355972478 /nfs/dbraw/zinc/97/24/78/355972478.db2.gz FMQKBLOSYNLAFQ-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748399 355972479 /nfs/dbraw/zinc/97/24/79/355972479.db2.gz FMQKBLOSYNLAFQ-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO Cn1nncc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000351647300 356044257 /nfs/dbraw/zinc/04/42/57/356044257.db2.gz IYQABOFEAYDJCJ-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)n1 ZINC000639392219 356050879 /nfs/dbraw/zinc/05/08/79/356050879.db2.gz TUXWBGWDEUBLBR-LBPRGKRZSA-N 1 2 249.362 1.612 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@H](C3CCC3)CC2)n1 ZINC000639392219 356050881 /nfs/dbraw/zinc/05/08/81/356050881.db2.gz TUXWBGWDEUBLBR-LBPRGKRZSA-N 1 2 249.362 1.612 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)n1 ZINC000639392218 356051270 /nfs/dbraw/zinc/05/12/70/356051270.db2.gz TUXWBGWDEUBLBR-GFCCVEGCSA-N 1 2 249.362 1.612 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)n1 ZINC000639392218 356051273 /nfs/dbraw/zinc/05/12/73/356051273.db2.gz TUXWBGWDEUBLBR-GFCCVEGCSA-N 1 2 249.362 1.612 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC2CCC1CC2 ZINC000351688662 356057635 /nfs/dbraw/zinc/05/76/35/356057635.db2.gz XLESWHCWNWTXGY-WXRRBKDZSA-N 1 2 247.342 1.968 20 0 BDADLO NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559728 181232325 /nfs/dbraw/zinc/23/23/25/181232325.db2.gz UKHPSDYGKMYGEH-LLVKDONJSA-N 1 2 236.340 1.262 20 0 BDADLO NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559728 181232328 /nfs/dbraw/zinc/23/23/28/181232328.db2.gz UKHPSDYGKMYGEH-LLVKDONJSA-N 1 2 236.340 1.262 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)(F)F ZINC000623257525 356025918 /nfs/dbraw/zinc/02/59/18/356025918.db2.gz MZDKZDOROVOIFC-JGVFFNPUSA-N 1 2 243.257 1.215 20 0 BDADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)(F)F ZINC000623257527 356026043 /nfs/dbraw/zinc/02/60/43/356026043.db2.gz MZDKZDOROVOIFC-YUMQZZPRSA-N 1 2 243.257 1.215 20 0 BDADLO CCCCNC(=O)CC[N@H+](C)Cc1ccon1 ZINC000351883518 356129018 /nfs/dbraw/zinc/12/90/18/356129018.db2.gz AAWMAYJIFBTKHO-UHFFFAOYSA-N 1 2 239.319 1.413 20 0 BDADLO CCCCNC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000351883518 356129021 /nfs/dbraw/zinc/12/90/21/356129021.db2.gz AAWMAYJIFBTKHO-UHFFFAOYSA-N 1 2 239.319 1.413 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000351711334 356066158 /nfs/dbraw/zinc/06/61/58/356066158.db2.gz HTAJBWBADXRRGY-GDPRMGEGSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000351711334 356066161 /nfs/dbraw/zinc/06/61/61/356066161.db2.gz HTAJBWBADXRRGY-GDPRMGEGSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@H](C)F)no1 ZINC000351718295 356069578 /nfs/dbraw/zinc/06/95/78/356069578.db2.gz ICLCCMIQQTWMIF-ZETCQYMHSA-N 1 2 201.245 1.558 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@H](C)F)no1 ZINC000351718295 356069580 /nfs/dbraw/zinc/06/95/80/356069580.db2.gz ICLCCMIQQTWMIF-ZETCQYMHSA-N 1 2 201.245 1.558 20 0 BDADLO Cn1cc[nH+]c1CSc1cccc(C(N)=O)c1 ZINC000351731959 356072993 /nfs/dbraw/zinc/07/29/93/356072993.db2.gz UZPFDMVYFZBSBJ-UHFFFAOYSA-N 1 2 247.323 1.811 20 0 BDADLO CC(C)CN1CC[N@H+](CC[C@H](C)F)CC1=O ZINC000351824694 356092045 /nfs/dbraw/zinc/09/20/45/356092045.db2.gz SCPZRWFCRPKYSO-NSHDSACASA-N 1 2 230.327 1.535 20 0 BDADLO CC(C)CN1CC[N@@H+](CC[C@H](C)F)CC1=O ZINC000351824694 356092050 /nfs/dbraw/zinc/09/20/50/356092050.db2.gz SCPZRWFCRPKYSO-NSHDSACASA-N 1 2 230.327 1.535 20 0 BDADLO CCc1occc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260014 356096473 /nfs/dbraw/zinc/09/64/73/356096473.db2.gz RBIAEOVBMMDNQB-VIFPVBQESA-N 1 2 245.282 1.393 20 0 BDADLO CC(C)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000623260258 356096991 /nfs/dbraw/zinc/09/69/91/356096991.db2.gz ZNXJFWXGQYWQNF-SSDOTTSWSA-N 1 2 243.257 1.215 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccncc1 ZINC000351886243 356140943 /nfs/dbraw/zinc/14/09/43/356140943.db2.gz IVLGMQPTTGFDDJ-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)on1 ZINC000335914919 356152007 /nfs/dbraw/zinc/15/20/07/356152007.db2.gz QUTMHGZFNJFLLU-AOOOYVTPSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)on1 ZINC000335914919 356152013 /nfs/dbraw/zinc/15/20/13/356152013.db2.gz QUTMHGZFNJFLLU-AOOOYVTPSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CCc3ncnn32)no1 ZINC000639450722 356235545 /nfs/dbraw/zinc/23/55/45/356235545.db2.gz YHUZZNDHNDSWGG-LLVKDONJSA-N 1 2 247.302 1.194 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CCc3ncnn32)no1 ZINC000639450722 356235549 /nfs/dbraw/zinc/23/55/49/356235549.db2.gz YHUZZNDHNDSWGG-LLVKDONJSA-N 1 2 247.302 1.194 20 0 BDADLO CCC(C)(C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264442 356236137 /nfs/dbraw/zinc/23/61/37/356236137.db2.gz LQYOKKLBYXDIMJ-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO O=C(CCC(F)(F)F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264747 356236415 /nfs/dbraw/zinc/23/64/15/356236415.db2.gz SFSFCYVWIZIPQN-SSDOTTSWSA-N 1 2 247.220 1.267 20 0 BDADLO Cc1cc(NC(=O)c2cnc(C3CC3)o2)cc[nH+]1 ZINC000639464274 356249374 /nfs/dbraw/zinc/24/93/74/356249374.db2.gz WJNUZDHIYHEXFE-UHFFFAOYSA-N 1 2 243.266 1.930 20 0 BDADLO C[NH+](C)C1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC000613496329 363460557 /nfs/dbraw/zinc/46/05/57/363460557.db2.gz YQGVLQZALWSMFD-UHFFFAOYSA-N 1 2 249.318 1.105 20 0 BDADLO C[NH+](C)C1(C(=O)Nc2nnc(C3CCC3)[nH]2)CC1 ZINC000613496329 363460563 /nfs/dbraw/zinc/46/05/63/363460563.db2.gz YQGVLQZALWSMFD-UHFFFAOYSA-N 1 2 249.318 1.105 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000617641646 356254026 /nfs/dbraw/zinc/25/40/26/356254026.db2.gz RCRWDCRHJFFHBH-NEPJUHHUSA-N 1 2 249.358 1.998 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)C2)[nH]1 ZINC000336111579 134086779 /nfs/dbraw/zinc/08/67/79/134086779.db2.gz IVZSGFBZGAITBK-SSDOTTSWSA-N 1 2 212.322 1.050 20 0 BDADLO COc1ccccc1C[N@H+](CCO)CC(C)=O ZINC000639473345 356265645 /nfs/dbraw/zinc/26/56/45/356265645.db2.gz HMKZNNDIGFAPJY-UHFFFAOYSA-N 1 2 237.299 1.079 20 0 BDADLO COc1ccccc1C[N@@H+](CCO)CC(C)=O ZINC000639473345 356265647 /nfs/dbraw/zinc/26/56/47/356265647.db2.gz HMKZNNDIGFAPJY-UHFFFAOYSA-N 1 2 237.299 1.079 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000639460273 356247986 /nfs/dbraw/zinc/24/79/86/356247986.db2.gz SOEXHNGIMJOPEK-SNVBAGLBSA-N 1 2 223.276 1.146 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000639460273 356247989 /nfs/dbraw/zinc/24/79/89/356247989.db2.gz SOEXHNGIMJOPEK-SNVBAGLBSA-N 1 2 223.276 1.146 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000639489836 356306629 /nfs/dbraw/zinc/30/66/29/356306629.db2.gz OOSNVAZOIITAHM-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000639489836 356306631 /nfs/dbraw/zinc/30/66/31/356306631.db2.gz OOSNVAZOIITAHM-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CCCCO2)no1 ZINC000042132039 356413123 /nfs/dbraw/zinc/41/31/23/356413123.db2.gz SKCSSCRNYUBVGG-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)no1 ZINC000042132039 356413127 /nfs/dbraw/zinc/41/31/27/356413127.db2.gz SKCSSCRNYUBVGG-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO O=C([C@@H]1CCSC1)N1CC(n2cc[nH+]c2)C1 ZINC000532399658 356420510 /nfs/dbraw/zinc/42/05/10/356420510.db2.gz YOSZEFNVJRITJO-SECBINFHSA-N 1 2 237.328 1.020 20 0 BDADLO COCC1(NC(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000580361345 356432222 /nfs/dbraw/zinc/43/22/22/356432222.db2.gz USTUFLUUEVEYMF-UHFFFAOYSA-N 1 2 249.314 1.999 20 0 BDADLO COc1ccc(C[N@H+](C)CC(C)=O)cn1 ZINC000639544880 356406031 /nfs/dbraw/zinc/40/60/31/356406031.db2.gz NYSDAHZDWXXWSG-UHFFFAOYSA-N 1 2 208.261 1.111 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(C)=O)cn1 ZINC000639544880 356406034 /nfs/dbraw/zinc/40/60/34/356406034.db2.gz NYSDAHZDWXXWSG-UHFFFAOYSA-N 1 2 208.261 1.111 20 0 BDADLO CC1(C)CO[C@@H](C[N@@H+]2CCc3c[nH]nc3C2)C1 ZINC000639545659 356406755 /nfs/dbraw/zinc/40/67/55/356406755.db2.gz YJTMGLMSBKMIHG-LLVKDONJSA-N 1 2 235.331 1.583 20 0 BDADLO CC1(C)CO[C@@H](C[N@H+]2CCc3c[nH]nc3C2)C1 ZINC000639545659 356406756 /nfs/dbraw/zinc/40/67/56/356406756.db2.gz YJTMGLMSBKMIHG-LLVKDONJSA-N 1 2 235.331 1.583 20 0 BDADLO CC1(C)CO[C@@H](C[N@@H+]2CCc3cn[nH]c3C2)C1 ZINC000639545659 356406757 /nfs/dbraw/zinc/40/67/57/356406757.db2.gz YJTMGLMSBKMIHG-LLVKDONJSA-N 1 2 235.331 1.583 20 0 BDADLO CC1(C)CO[C@@H](C[N@H+]2CCc3cn[nH]c3C2)C1 ZINC000639545659 356406758 /nfs/dbraw/zinc/40/67/58/356406758.db2.gz YJTMGLMSBKMIHG-LLVKDONJSA-N 1 2 235.331 1.583 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccon1 ZINC000365486928 181274235 /nfs/dbraw/zinc/27/42/35/181274235.db2.gz VLHVMLNSVLEJPX-USWWRNFRSA-N 1 2 249.314 1.293 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccon1 ZINC000365486928 181274237 /nfs/dbraw/zinc/27/42/37/181274237.db2.gz VLHVMLNSVLEJPX-USWWRNFRSA-N 1 2 249.314 1.293 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](CCc2cnccn2)CCN1C ZINC000639558721 356464216 /nfs/dbraw/zinc/46/42/16/356464216.db2.gz HRCMICRYOCOWMQ-VXGBXAGGSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](CCc2cnccn2)CCN1C ZINC000639558721 356464218 /nfs/dbraw/zinc/46/42/18/356464218.db2.gz HRCMICRYOCOWMQ-VXGBXAGGSA-N 1 2 234.347 1.044 20 0 BDADLO CC[C@@H](O)C[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000420631712 192251793 /nfs/dbraw/zinc/25/17/93/192251793.db2.gz VRUMBQILVBPFNR-SECBINFHSA-N 1 2 237.278 1.317 20 0 BDADLO FC1=CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639558506 356463736 /nfs/dbraw/zinc/46/37/36/356463736.db2.gz FLXVDSZEMWDTHQ-SNVBAGLBSA-N 1 2 222.267 1.325 20 0 BDADLO FC1=CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639558506 356463741 /nfs/dbraw/zinc/46/37/41/356463741.db2.gz FLXVDSZEMWDTHQ-SNVBAGLBSA-N 1 2 222.267 1.325 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000643251318 491092464 /nfs/dbraw/zinc/09/24/64/491092464.db2.gz SVQQJCWGQCGXAM-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nn(C)cc1Cl ZINC000643251318 491092466 /nfs/dbraw/zinc/09/24/66/491092466.db2.gz SVQQJCWGQCGXAM-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)C(=O)C2(C)C)n1 ZINC000336161161 134111062 /nfs/dbraw/zinc/11/10/62/134111062.db2.gz APYXTEWNDBKJJH-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)n1 ZINC000336161161 134111063 /nfs/dbraw/zinc/11/10/63/134111063.db2.gz APYXTEWNDBKJJH-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CC(C)c1nc(N2CC[C@@]23CCOC3)cc[nH+]1 ZINC000420645972 192254281 /nfs/dbraw/zinc/25/42/81/192254281.db2.gz VGESDGPMWMOTKW-ZDUSSCGKSA-N 1 2 233.315 1.969 20 0 BDADLO Cc1cc(N2CC[C@H](O)CC23CCC3)nc[nH+]1 ZINC000420640222 192254629 /nfs/dbraw/zinc/25/46/29/192254629.db2.gz SRYPBYPHMYNQCQ-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO CCCS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420697977 192257256 /nfs/dbraw/zinc/25/72/56/192257256.db2.gz KEXIBCRWBIBEDG-UHFFFAOYSA-N 1 2 242.344 1.528 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nn(C)cc1Cl ZINC000420917393 192273755 /nfs/dbraw/zinc/27/37/55/192273755.db2.gz RHYKMPUTHBZJGR-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CC[C@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000420918513 192273236 /nfs/dbraw/zinc/27/32/36/192273236.db2.gz PVFIZHJXLVEKMM-VIFPVBQESA-N 1 2 224.308 1.265 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000420915302 192271171 /nfs/dbraw/zinc/27/11/71/192271171.db2.gz LLDGHFYJIRZWKW-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000420915302 192271172 /nfs/dbraw/zinc/27/11/72/192271172.db2.gz LLDGHFYJIRZWKW-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO CCOCC[N@H+](CC)Cc1nn(C)cc1Cl ZINC000420917393 192273752 /nfs/dbraw/zinc/27/37/52/192273752.db2.gz RHYKMPUTHBZJGR-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000639602292 356521269 /nfs/dbraw/zinc/52/12/69/356521269.db2.gz QQNATSVLRWPCHM-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](OCCOC)C1 ZINC000639602292 356521274 /nfs/dbraw/zinc/52/12/74/356521274.db2.gz QQNATSVLRWPCHM-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000639602293 356521516 /nfs/dbraw/zinc/52/15/16/356521516.db2.gz QQNATSVLRWPCHM-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](OCCOC)C1 ZINC000639602293 356521518 /nfs/dbraw/zinc/52/15/18/356521518.db2.gz QQNATSVLRWPCHM-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H](CC)O1 ZINC000420954587 192277602 /nfs/dbraw/zinc/27/76/02/192277602.db2.gz KEQJEGRNNAYKFX-TXEJJXNPSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H](CC)O1 ZINC000420954587 192277603 /nfs/dbraw/zinc/27/76/03/192277603.db2.gz KEQJEGRNNAYKFX-TXEJJXNPSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420951007 192278386 /nfs/dbraw/zinc/27/83/86/192278386.db2.gz GVELJEYYFGSTIC-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420951007 192278388 /nfs/dbraw/zinc/27/83/88/192278388.db2.gz GVELJEYYFGSTIC-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO CCNC(=O)C[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420957080 192280471 /nfs/dbraw/zinc/28/04/71/192280471.db2.gz ZBVFXLPCFPEREB-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)[C@@H]1CCOC1 ZINC000420972992 192285991 /nfs/dbraw/zinc/28/59/91/192285991.db2.gz MRYZGEVWRGTMMR-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)[C@@H]1CCOC1 ZINC000420972992 192285994 /nfs/dbraw/zinc/28/59/94/192285994.db2.gz MRYZGEVWRGTMMR-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(CO)(OC)CC1 ZINC000639613550 356537930 /nfs/dbraw/zinc/53/79/30/356537930.db2.gz DBJNXIJIQMLKBX-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO Fc1cnccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421019599 192303337 /nfs/dbraw/zinc/30/33/37/192303337.db2.gz MOFYHSDBMQWHNK-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cnccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421019599 192303339 /nfs/dbraw/zinc/30/33/39/192303339.db2.gz MOFYHSDBMQWHNK-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO CC(=O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000639639208 356551829 /nfs/dbraw/zinc/55/18/29/356551829.db2.gz SQKCQOCFENAAJG-NSHDSACASA-N 1 2 207.277 1.526 20 0 BDADLO CC(=O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000639639208 356551832 /nfs/dbraw/zinc/55/18/32/356551832.db2.gz SQKCQOCFENAAJG-NSHDSACASA-N 1 2 207.277 1.526 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639644115 356557416 /nfs/dbraw/zinc/55/74/16/356557416.db2.gz MDDQNYMUKIXDDU-VIFPVBQESA-N 1 2 239.319 1.489 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639644115 356557420 /nfs/dbraw/zinc/55/74/20/356557420.db2.gz MDDQNYMUKIXDDU-VIFPVBQESA-N 1 2 239.319 1.489 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc2nccn21 ZINC000179772217 366303261 /nfs/dbraw/zinc/30/32/61/366303261.db2.gz LBTPTGBWJWRFLP-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccc2nccn21 ZINC000179772217 366303268 /nfs/dbraw/zinc/30/32/68/366303268.db2.gz LBTPTGBWJWRFLP-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCCN1Cc1cccc2[nH+]ccn21 ZINC000179772217 366303273 /nfs/dbraw/zinc/30/32/73/366303273.db2.gz LBTPTGBWJWRFLP-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnn[nH]2)C[C@@H](C)S1 ZINC000336201042 134130481 /nfs/dbraw/zinc/13/04/81/134130481.db2.gz NXBYFQMUPJCCQT-HTQZYQBOSA-N 1 2 212.322 1.131 20 0 BDADLO C[C@@H]1C[NH+](Cc2c[nH]nn2)C[C@@H](C)S1 ZINC000336201042 134130482 /nfs/dbraw/zinc/13/04/82/134130482.db2.gz NXBYFQMUPJCCQT-HTQZYQBOSA-N 1 2 212.322 1.131 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H](O)C1CCC1 ZINC000449795894 202040557 /nfs/dbraw/zinc/04/05/57/202040557.db2.gz DPCPKPWEVZAPMQ-LLVKDONJSA-N 1 2 249.314 1.247 20 0 BDADLO CC(=O)C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000639658849 356567222 /nfs/dbraw/zinc/56/72/22/356567222.db2.gz KNNXIXXHCIINRU-LBPRGKRZSA-N 1 2 241.718 1.894 20 0 BDADLO CC(=O)C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000639658849 356567227 /nfs/dbraw/zinc/56/72/27/356567227.db2.gz KNNXIXXHCIINRU-LBPRGKRZSA-N 1 2 241.718 1.894 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300969 356575552 /nfs/dbraw/zinc/57/55/52/356575552.db2.gz AVXADLLSHXIUMH-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623308107 356614145 /nfs/dbraw/zinc/61/41/45/356614145.db2.gz VEIKYJRISZAFDE-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ccccc1CO ZINC000639686350 356595415 /nfs/dbraw/zinc/59/54/15/356595415.db2.gz SSPHOLNMQVFOFN-UHFFFAOYSA-N 1 2 245.326 1.902 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000623305680 356600432 /nfs/dbraw/zinc/60/04/32/356600432.db2.gz XRRLVKLHYHFEMP-QWRGUYRKSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@@H](NC(=O)c1cn(CC)cn1)c1[nH]cc[nH+]1 ZINC000613578909 363521830 /nfs/dbraw/zinc/52/18/30/363521830.db2.gz FGZJVEIMIODNRI-SECBINFHSA-N 1 2 247.302 1.507 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000630093504 363526477 /nfs/dbraw/zinc/52/64/77/363526477.db2.gz MBORDZYMCZTNKH-VXGBXAGGSA-N 1 2 234.299 1.553 20 0 BDADLO CC(C)c1[nH+]c(CNC[C@H](C)O)c2ccccn21 ZINC000578136648 366311323 /nfs/dbraw/zinc/31/13/23/366311323.db2.gz WRWOPDORJMAPMX-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000450328817 202129396 /nfs/dbraw/zinc/12/93/96/202129396.db2.gz DILQVYGBFIOBIS-SNVBAGLBSA-N 1 2 231.336 1.421 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000450328817 202129397 /nfs/dbraw/zinc/12/93/97/202129397.db2.gz DILQVYGBFIOBIS-SNVBAGLBSA-N 1 2 231.336 1.421 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000450331556 202131659 /nfs/dbraw/zinc/13/16/59/202131659.db2.gz BVMZOMNQDBEVLN-WDEREUQCSA-N 1 2 239.319 1.676 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000450331556 202131661 /nfs/dbraw/zinc/13/16/61/202131661.db2.gz BVMZOMNQDBEVLN-WDEREUQCSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1cc(-c2nc(Cc3c[nH+]cn3C)no2)no1 ZINC000350656498 366317115 /nfs/dbraw/zinc/31/71/15/366317115.db2.gz HBPHZQJLTCOOJD-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO C[C@H](NCc1c[nH+]cn1C)C(C)(F)F ZINC000389456266 356677819 /nfs/dbraw/zinc/67/78/19/356677819.db2.gz ACASWDBIWRBOLE-ZETCQYMHSA-N 1 2 203.236 1.553 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1cc[nH]n1 ZINC000088370178 356666332 /nfs/dbraw/zinc/66/63/32/356666332.db2.gz MQGQDDGTRXCWRT-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)C(C)(F)F)n(C)n1 ZINC000389474285 356681994 /nfs/dbraw/zinc/68/19/94/356681994.db2.gz WSJLFGCPOUCKKT-MRVPVSSYSA-N 1 2 217.263 1.862 20 0 BDADLO CC(C)c1nnc(N(C)CCCn2cc[nH+]c2)o1 ZINC000450395766 202151732 /nfs/dbraw/zinc/15/17/32/202151732.db2.gz SAMFLCDIADNCAB-UHFFFAOYSA-N 1 2 249.318 1.916 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)nn1C ZINC000639776698 356722312 /nfs/dbraw/zinc/72/23/12/356722312.db2.gz OVURWUDPWNXLTC-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)nn1C ZINC000639776698 356722316 /nfs/dbraw/zinc/72/23/16/356722316.db2.gz OVURWUDPWNXLTC-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)OCC ZINC000384772590 356745222 /nfs/dbraw/zinc/74/52/22/356745222.db2.gz PIHMDBLMSQAJGM-FIQHERPVSA-N 1 2 243.347 1.874 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623345787 356752741 /nfs/dbraw/zinc/75/27/41/356752741.db2.gz TTZBOOJIXFQOIR-KOLCDFICSA-N 1 2 235.331 1.669 20 0 BDADLO CN1CCC[C@H]([N@H+](C)Cc2ccns2)C1=O ZINC000639805275 356774303 /nfs/dbraw/zinc/77/43/03/356774303.db2.gz AMIWQRXBQDEEIC-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CN1CCC[C@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000639805275 356774305 /nfs/dbraw/zinc/77/43/05/356774305.db2.gz AMIWQRXBQDEEIC-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@H]2CC(C)(C)CO2)nn1 ZINC000639829574 356814037 /nfs/dbraw/zinc/81/40/37/356814037.db2.gz VZGQFVZDHKTRBF-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@H]2CC(C)(C)CO2)nn1 ZINC000639829574 356814039 /nfs/dbraw/zinc/81/40/39/356814039.db2.gz VZGQFVZDHKTRBF-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@H]1C[N@@H+]([C@H](C)c2ccncc2)CCO1 ZINC000639832211 356817214 /nfs/dbraw/zinc/81/72/14/356817214.db2.gz DIORZBHVUDQIOB-ZYHUDNBSSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+]([C@H](C)c2ccncc2)CCO1 ZINC000639832211 356817217 /nfs/dbraw/zinc/81/72/17/356817217.db2.gz DIORZBHVUDQIOB-ZYHUDNBSSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+](CCOC(C)(C)C)CCO1 ZINC000639833651 356820029 /nfs/dbraw/zinc/82/00/29/356820029.db2.gz QDWRHCLZWDSDIC-JTQLQIEISA-N 1 2 217.309 1.106 20 0 BDADLO CO[C@@H]1C[N@@H+](CCOC(C)(C)C)CCO1 ZINC000639833651 356820032 /nfs/dbraw/zinc/82/00/32/356820032.db2.gz QDWRHCLZWDSDIC-JTQLQIEISA-N 1 2 217.309 1.106 20 0 BDADLO CO[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000639833567 356820253 /nfs/dbraw/zinc/82/02/53/356820253.db2.gz HEHUKKQIPDCPJE-CYBMUJFWSA-N 1 2 247.298 1.139 20 0 BDADLO CC(C)(CN=c1[nH]ncs1)C[NH+]1CCCC1 ZINC000450478353 202180630 /nfs/dbraw/zinc/18/06/30/202180630.db2.gz FRWYDHIABJRCPQ-UHFFFAOYSA-N 1 2 240.376 1.494 20 0 BDADLO CO[C@H]1C[N@H+](CCOCCC(C)C)CCO1 ZINC000639833971 356821235 /nfs/dbraw/zinc/82/12/35/356821235.db2.gz SDKYGWWMXBDYIN-GFCCVEGCSA-N 1 2 231.336 1.354 20 0 BDADLO CO[C@H]1C[N@@H+](CCOCCC(C)C)CCO1 ZINC000639833971 356821236 /nfs/dbraw/zinc/82/12/36/356821236.db2.gz SDKYGWWMXBDYIN-GFCCVEGCSA-N 1 2 231.336 1.354 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000639836537 356822746 /nfs/dbraw/zinc/82/27/46/356822746.db2.gz IHSRTGSQWPJMRS-QWHCGFSZSA-N 1 2 243.347 1.232 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000639836537 356822748 /nfs/dbraw/zinc/82/27/48/356822748.db2.gz IHSRTGSQWPJMRS-QWHCGFSZSA-N 1 2 243.347 1.232 20 0 BDADLO CO[C@@H]1C[N@H+](CCOCC2CCC2)CCO1 ZINC000639838015 356828585 /nfs/dbraw/zinc/82/85/85/356828585.db2.gz TYRRBCUVSHENPY-LBPRGKRZSA-N 1 2 229.320 1.108 20 0 BDADLO CO[C@@H]1C[N@@H+](CCOCC2CCC2)CCO1 ZINC000639838015 356828589 /nfs/dbraw/zinc/82/85/89/356828589.db2.gz TYRRBCUVSHENPY-LBPRGKRZSA-N 1 2 229.320 1.108 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC000639839593 356830509 /nfs/dbraw/zinc/83/05/09/356830509.db2.gz RXVDTVJOTQCLRB-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC000639839593 356830511 /nfs/dbraw/zinc/83/05/11/356830511.db2.gz RXVDTVJOTQCLRB-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@@H+]1CCC2(COC2)C1 ZINC000639863467 356871969 /nfs/dbraw/zinc/87/19/69/356871969.db2.gz KHHUHZWYHDWGMD-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO C(c1nc(C2CCC2)no1)[N@H+]1CCC2(COC2)C1 ZINC000639863467 356871970 /nfs/dbraw/zinc/87/19/70/356871970.db2.gz KHHUHZWYHDWGMD-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C)o1 ZINC000359286895 356887072 /nfs/dbraw/zinc/88/70/72/356887072.db2.gz HWHIIBAUIOPHDD-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C)o1 ZINC000359286895 356887075 /nfs/dbraw/zinc/88/70/75/356887075.db2.gz HWHIIBAUIOPHDD-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)cn1 ZINC000639842361 356836719 /nfs/dbraw/zinc/83/67/19/356836719.db2.gz DAWXNPUBKCOKJM-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ncccn2)cn1 ZINC000639842361 356836721 /nfs/dbraw/zinc/83/67/21/356836721.db2.gz DAWXNPUBKCOKJM-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000155490253 538719575 /nfs/dbraw/zinc/71/95/75/538719575.db2.gz HQGUTBQNCHDEKH-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000155490253 538719579 /nfs/dbraw/zinc/71/95/79/538719579.db2.gz HQGUTBQNCHDEKH-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO C[N@H+](CCC(F)(F)F)Cc1cncnc1 ZINC000352697821 538725406 /nfs/dbraw/zinc/72/54/06/538725406.db2.gz IZJNVNOBRFMQSX-UHFFFAOYSA-N 1 2 219.210 1.861 20 0 BDADLO C[N@@H+](CCC(F)(F)F)Cc1cncnc1 ZINC000352697821 538725414 /nfs/dbraw/zinc/72/54/14/538725414.db2.gz IZJNVNOBRFMQSX-UHFFFAOYSA-N 1 2 219.210 1.861 20 0 BDADLO CCN(C)C(=O)NCc1[nH+]ccn1CC ZINC000385161288 356912774 /nfs/dbraw/zinc/91/27/74/356912774.db2.gz KCVSQAJAJIKHEV-UHFFFAOYSA-N 1 2 210.281 1.064 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)[C@@H]1CCOC1 ZINC000361595263 356934880 /nfs/dbraw/zinc/93/48/80/356934880.db2.gz MYCWKXGRYDSGMW-SNVBAGLBSA-N 1 2 236.319 1.293 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@@H]1CCOC1 ZINC000361595263 356934883 /nfs/dbraw/zinc/93/48/83/356934883.db2.gz MYCWKXGRYDSGMW-SNVBAGLBSA-N 1 2 236.319 1.293 20 0 BDADLO CC(C)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000360110987 356902929 /nfs/dbraw/zinc/90/29/29/356902929.db2.gz QLIMXOOFZBUTRD-GFCCVEGCSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000360110987 356902932 /nfs/dbraw/zinc/90/29/32/356902932.db2.gz QLIMXOOFZBUTRD-GFCCVEGCSA-N 1 2 242.363 1.210 20 0 BDADLO CCCCS[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000054369879 363570968 /nfs/dbraw/zinc/57/09/68/363570968.db2.gz SZAXQAMHKZASTF-LLVKDONJSA-N 1 2 244.404 1.682 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)c(C#N)c[nH+]1 ZINC000399518825 356968430 /nfs/dbraw/zinc/96/84/30/356968430.db2.gz PXTOQTKMFKCQRG-JBLDHEPKSA-N 1 2 231.299 1.661 20 0 BDADLO CC(C)c1nc(N2CC3(CC3)C2)nc(N(C)C)[nH+]1 ZINC000450577398 202203709 /nfs/dbraw/zinc/20/37/09/202203709.db2.gz DGJIHGOLYWTJJZ-UHFFFAOYSA-N 1 2 247.346 1.661 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2CC3(CC3)C2)[nH+]1 ZINC000450577398 202203712 /nfs/dbraw/zinc/20/37/12/202203712.db2.gz DGJIHGOLYWTJJZ-UHFFFAOYSA-N 1 2 247.346 1.661 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000626469569 357007293 /nfs/dbraw/zinc/00/72/93/357007293.db2.gz GLJUPZUOABBKLY-XYPYZODXSA-N 1 2 249.314 1.419 20 0 BDADLO FC(F)n1ccnc1C[NH2+]CC1(F)CC1 ZINC000389923455 357068650 /nfs/dbraw/zinc/06/86/50/357068650.db2.gz UHNSZJWRJHHALJ-UHFFFAOYSA-N 1 2 219.210 1.870 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)o1)C[C@@H](C)OC ZINC000582334783 357071277 /nfs/dbraw/zinc/07/12/77/357071277.db2.gz RKYPUZDDCSADLB-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)o1)C[C@@H](C)OC ZINC000582334783 357071279 /nfs/dbraw/zinc/07/12/79/357071279.db2.gz RKYPUZDDCSADLB-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(N)=O ZINC000007921993 357095411 /nfs/dbraw/zinc/09/54/11/357095411.db2.gz WFEFNPSNKRGDRY-MRVPVSSYSA-N 1 2 249.339 1.774 20 0 BDADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(N)=O ZINC000007921993 357095415 /nfs/dbraw/zinc/09/54/15/357095415.db2.gz WFEFNPSNKRGDRY-MRVPVSSYSA-N 1 2 249.339 1.774 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000582428178 357146947 /nfs/dbraw/zinc/14/69/47/357146947.db2.gz CQHYPVJARLATTG-CABZTGNLSA-N 1 2 238.310 1.774 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCC[C@](C)(F)C1 ZINC000582428178 357146949 /nfs/dbraw/zinc/14/69/49/357146949.db2.gz CQHYPVJARLATTG-CABZTGNLSA-N 1 2 238.310 1.774 20 0 BDADLO CCC(F)(F)C[N@H+](C)CC1(C)COC1 ZINC000639889880 357206114 /nfs/dbraw/zinc/20/61/14/357206114.db2.gz KYXPQTLQPDAPIM-UHFFFAOYSA-N 1 2 207.264 2.000 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CC1(C)COC1 ZINC000639889880 357206117 /nfs/dbraw/zinc/20/61/17/357206117.db2.gz KYXPQTLQPDAPIM-UHFFFAOYSA-N 1 2 207.264 2.000 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377348888 357231541 /nfs/dbraw/zinc/23/15/41/357231541.db2.gz YIOKDSXAOSKDTQ-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1nn(C)c(C)c1C[NH+]1CC2(C1)CCCO2 ZINC000628426684 357255094 /nfs/dbraw/zinc/25/50/94/357255094.db2.gz FWNVDMNSBDQGDM-UHFFFAOYSA-N 1 2 235.331 1.402 20 0 BDADLO F[C@@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000582551614 357333765 /nfs/dbraw/zinc/33/37/65/357333765.db2.gz KEAXGGPKGPTLGF-SNVBAGLBSA-N 1 2 234.278 1.663 20 0 BDADLO F[C@@H]1CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000582551614 357333771 /nfs/dbraw/zinc/33/37/71/357333771.db2.gz KEAXGGPKGPTLGF-SNVBAGLBSA-N 1 2 234.278 1.663 20 0 BDADLO CC(C)c1cc(NCc2c[nH+]cn2C)ncn1 ZINC000357586868 538830364 /nfs/dbraw/zinc/83/03/64/538830364.db2.gz ZJGLPQRCDFRCEW-UHFFFAOYSA-N 1 2 231.303 1.368 20 0 BDADLO CC(C)c1nccc(NCc2c[nH+]cn2C)n1 ZINC000357602056 538832167 /nfs/dbraw/zinc/83/21/67/538832167.db2.gz FJZPEJHHNPNZIE-UHFFFAOYSA-N 1 2 231.303 1.368 20 0 BDADLO CCn1c[nH+]cc1CNc1cncc(OC)n1 ZINC000582665813 357358531 /nfs/dbraw/zinc/35/85/31/357358531.db2.gz CDLFCLBRQLOAMK-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO Cc1cc([NH2+]C[C@H](C)CO)ccc1-n1cnnn1 ZINC000157875386 538843281 /nfs/dbraw/zinc/84/32/81/538843281.db2.gz DIHPXFXLRYDTMW-VIFPVBQESA-N 1 2 247.302 1.011 20 0 BDADLO O=C(Nc1ccccn1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639904534 357380843 /nfs/dbraw/zinc/38/08/43/357380843.db2.gz PWUZFGZEWNDZGJ-SECBINFHSA-N 1 2 243.270 1.025 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CO1 ZINC000583141407 357492628 /nfs/dbraw/zinc/49/26/28/357492628.db2.gz PRRPUPDFSMEMGA-WDEREUQCSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CO1 ZINC000583141407 357492630 /nfs/dbraw/zinc/49/26/30/357492630.db2.gz PRRPUPDFSMEMGA-WDEREUQCSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CO1 ZINC000583141401 357493360 /nfs/dbraw/zinc/49/33/60/357493360.db2.gz PRRPUPDFSMEMGA-GHMZBOCLSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CO1 ZINC000583141401 357493363 /nfs/dbraw/zinc/49/33/63/357493363.db2.gz PRRPUPDFSMEMGA-GHMZBOCLSA-N 1 2 248.330 1.666 20 0 BDADLO CSCC[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000379425529 357529534 /nfs/dbraw/zinc/52/95/34/357529534.db2.gz BUZUJEPVBSUXSB-UHFFFAOYSA-N 1 2 239.319 1.909 20 0 BDADLO CC(C)(O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188207958 357535333 /nfs/dbraw/zinc/53/53/33/357535333.db2.gz HYOJYDDSTZVXOZ-UHFFFAOYSA-N 1 2 245.282 1.582 20 0 BDADLO Cc1c[nH+]ccc1CC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000397531667 357557438 /nfs/dbraw/zinc/55/74/38/357557438.db2.gz LXIKZJITHJBHKI-NSHDSACASA-N 1 2 236.315 1.585 20 0 BDADLO Cc1c[nH+]ccc1CC[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000397531667 357557442 /nfs/dbraw/zinc/55/74/42/357557442.db2.gz LXIKZJITHJBHKI-NSHDSACASA-N 1 2 236.315 1.585 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1ccco1 ZINC000360351478 538863310 /nfs/dbraw/zinc/86/33/10/538863310.db2.gz HTNLPEUEQGALNW-UHFFFAOYSA-N 1 2 232.239 1.864 20 0 BDADLO CCC1(NC(=O)CCc2c[nH+]cn2C)CCC1 ZINC000189206252 357609376 /nfs/dbraw/zinc/60/93/76/357609376.db2.gz MQDWLNQQRGVRFL-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@]2(CC)CO)no1 ZINC000189614171 357649479 /nfs/dbraw/zinc/64/94/79/357649479.db2.gz KNXWHPMPXKAOLB-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@]2(CC)CO)no1 ZINC000189614171 357649482 /nfs/dbraw/zinc/64/94/82/357649482.db2.gz KNXWHPMPXKAOLB-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO COC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189650380 357655683 /nfs/dbraw/zinc/65/56/83/357655683.db2.gz GBIFQCKUYXQFFZ-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO Cn1ccnc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189652596 357655905 /nfs/dbraw/zinc/65/59/05/357655905.db2.gz DYLICQXOYZSAGO-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1nnnn1C ZINC000189820540 357673633 /nfs/dbraw/zinc/67/36/33/357673633.db2.gz NUYWYFHKXQILSU-DTWKUNHWSA-N 1 2 232.291 1.017 20 0 BDADLO C[C@H]1C[N@H+](CCN(CC(F)F)C2CC2)CCO1 ZINC000189929531 357676373 /nfs/dbraw/zinc/67/63/73/357676373.db2.gz SYUOYEPRTZQXKM-JTQLQIEISA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1C[N@@H+](CCN(CC(F)F)C2CC2)CCO1 ZINC000189929531 357676376 /nfs/dbraw/zinc/67/63/76/357676376.db2.gz SYUOYEPRTZQXKM-JTQLQIEISA-N 1 2 248.317 1.437 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000232029990 357638616 /nfs/dbraw/zinc/63/86/16/357638616.db2.gz MWAVWXBNWPVQBM-ZYHUDNBSSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000232029990 357638621 /nfs/dbraw/zinc/63/86/21/357638621.db2.gz MWAVWXBNWPVQBM-ZYHUDNBSSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC[C@@H]([NH2+][C@@H](CC)C(=O)OCC)C(C)C ZINC000233748740 357743089 /nfs/dbraw/zinc/74/30/89/357743089.db2.gz BUHCSDGYZXHEDL-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191376427 357767187 /nfs/dbraw/zinc/76/71/87/357767187.db2.gz NIBCDQQVQGWJPW-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191376427 357767190 /nfs/dbraw/zinc/76/71/90/357767190.db2.gz NIBCDQQVQGWJPW-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)[C@@H](C)O ZINC000191963156 357807098 /nfs/dbraw/zinc/80/70/98/357807098.db2.gz LKMGFYFLGTZELK-KKOKHZNYSA-N 1 2 243.347 1.325 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC=C(C)C)[C@@H](C)O ZINC000191966085 357807343 /nfs/dbraw/zinc/80/73/43/357807343.db2.gz OITDYOWAQMFPCI-IJLUTSLNSA-N 1 2 243.347 1.633 20 0 BDADLO CCC[C@H](C)C[N@@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192067505 357816958 /nfs/dbraw/zinc/81/69/58/357816958.db2.gz YIZPEOOOMKPPPL-NWDGAFQWSA-N 1 2 247.404 1.789 20 0 BDADLO CCC[C@H](C)C[N@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192067505 357816962 /nfs/dbraw/zinc/81/69/62/357816962.db2.gz YIZPEOOOMKPPPL-NWDGAFQWSA-N 1 2 247.404 1.789 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncccn2)CCCO1 ZINC000191986377 357819536 /nfs/dbraw/zinc/81/95/36/357819536.db2.gz ARVIYZUPLKVXDQ-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncccn2)CCCO1 ZINC000191986377 357819538 /nfs/dbraw/zinc/81/95/38/357819538.db2.gz ARVIYZUPLKVXDQ-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccoc1Cl ZINC000234290826 357780579 /nfs/dbraw/zinc/78/05/79/357780579.db2.gz CPXSEQYYHJYOIR-UHFFFAOYSA-N 1 2 239.662 1.928 20 0 BDADLO COc1cccc2c1cc[nH+]c2NC[C@H](O)CO ZINC000234914436 357836507 /nfs/dbraw/zinc/83/65/07/357836507.db2.gz ATBWWUHOSCORDC-VIFPVBQESA-N 1 2 248.282 1.009 20 0 BDADLO CO[C@H]1CC[N@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000234848282 357838763 /nfs/dbraw/zinc/83/87/63/357838763.db2.gz JOROCZHEVWROEU-NSHDSACASA-N 1 2 236.315 1.535 20 0 BDADLO CO[C@H]1CC[N@@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000234848282 357838766 /nfs/dbraw/zinc/83/87/66/357838766.db2.gz JOROCZHEVWROEU-NSHDSACASA-N 1 2 236.315 1.535 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000064431999 357845411 /nfs/dbraw/zinc/84/54/11/357845411.db2.gz KTRATBJHGSRJRV-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000064431999 357845414 /nfs/dbraw/zinc/84/54/14/357845414.db2.gz KTRATBJHGSRJRV-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO CC1(C)C[N@H+](CC(=O)N2CCC2)[C@H]1c1ccco1 ZINC000639926579 357846788 /nfs/dbraw/zinc/84/67/88/357846788.db2.gz OIFPVLSGYUCNJG-ZDUSSCGKSA-N 1 2 248.326 1.895 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)N2CCC2)[C@H]1c1ccco1 ZINC000639926579 357846792 /nfs/dbraw/zinc/84/67/92/357846792.db2.gz OIFPVLSGYUCNJG-ZDUSSCGKSA-N 1 2 248.326 1.895 20 0 BDADLO CSCCCCNC(=O)Cn1cc[nH+]c1 ZINC000583726813 357910531 /nfs/dbraw/zinc/91/05/31/357910531.db2.gz LHVIWXTWIAZBHR-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO COC(=O)[C@]1(C)CN(c2cc(C)[nH+]cn2)C[C@H]1C ZINC000583764564 357938160 /nfs/dbraw/zinc/93/81/60/357938160.db2.gz MFUDOHRCRPVPSW-NOZJJQNGSA-N 1 2 249.314 1.420 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(O)cc1 ZINC000610560152 357987425 /nfs/dbraw/zinc/98/74/25/357987425.db2.gz IPLLTSLUNGAGLO-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(O)cc1 ZINC000610560152 357987426 /nfs/dbraw/zinc/98/74/26/357987426.db2.gz IPLLTSLUNGAGLO-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC(Cc3ccco3)C2)n1 ZINC000628433585 357991135 /nfs/dbraw/zinc/99/11/35/357991135.db2.gz UKYHMUURIVZTNV-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO Cc1c[nH]c(CN2CC(Cc3ccco3)C2)[nH+]1 ZINC000628433585 357991136 /nfs/dbraw/zinc/99/11/36/357991136.db2.gz UKYHMUURIVZTNV-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2nccc(N)n2)s1 ZINC000639995861 358034244 /nfs/dbraw/zinc/03/42/44/358034244.db2.gz RUWFYUYDIHJCNK-SSDOTTSWSA-N 1 2 249.343 1.505 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](O)C(C)(C)C ZINC000639971075 358020024 /nfs/dbraw/zinc/02/00/24/358020024.db2.gz MSYOVHKLKAQVFE-NSHDSACASA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000639971075 358020026 /nfs/dbraw/zinc/02/00/26/358020026.db2.gz MSYOVHKLKAQVFE-NSHDSACASA-N 1 2 225.336 1.557 20 0 BDADLO CCn1nccc1CC[N@H+](C)Cc1cn[nH]c1C ZINC000639970346 358022532 /nfs/dbraw/zinc/02/25/32/358022532.db2.gz DLXTWWFAWOLMJN-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO CCn1nccc1CC[N@@H+](C)Cc1cn[nH]c1C ZINC000639970346 358022535 /nfs/dbraw/zinc/02/25/35/358022535.db2.gz DLXTWWFAWOLMJN-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000639969762 358022680 /nfs/dbraw/zinc/02/26/80/358022680.db2.gz FSIRYTKECCVPDV-UHFFFAOYSA-N 1 2 249.270 1.009 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(=O)c(O)co1 ZINC000639969762 358022684 /nfs/dbraw/zinc/02/26/84/358022684.db2.gz FSIRYTKECCVPDV-UHFFFAOYSA-N 1 2 249.270 1.009 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1nccs1 ZINC000269682539 535386747 /nfs/dbraw/zinc/38/67/47/535386747.db2.gz FKMVMQWJXSCLEC-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1nccs1 ZINC000269682539 535386751 /nfs/dbraw/zinc/38/67/51/535386751.db2.gz FKMVMQWJXSCLEC-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(CC2(C)CC2)n1 ZINC000350201227 358041378 /nfs/dbraw/zinc/04/13/78/358041378.db2.gz SNAFFDVRBIJFGB-UHFFFAOYSA-N 1 2 232.287 1.737 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2cocn2)c[nH]1 ZINC000610652013 358043226 /nfs/dbraw/zinc/04/32/26/358043226.db2.gz JBEROMHQOUZNNG-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000168886230 134247396 /nfs/dbraw/zinc/24/73/96/134247396.db2.gz BVEGUAPVHSZCDM-MNOVXSKESA-N 1 2 240.347 1.202 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000168886230 134247397 /nfs/dbraw/zinc/24/73/97/134247397.db2.gz BVEGUAPVHSZCDM-MNOVXSKESA-N 1 2 240.347 1.202 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)c1[nH]cc[nH+]1 ZINC000221213487 358069711 /nfs/dbraw/zinc/06/97/11/358069711.db2.gz QREBACKHAGQTEJ-IWSPIJDZSA-N 1 2 223.276 1.012 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000170698039 134253011 /nfs/dbraw/zinc/25/30/11/134253011.db2.gz SJFYESBECVTGRZ-LLVKDONJSA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000170698039 134253012 /nfs/dbraw/zinc/25/30/12/134253012.db2.gz SJFYESBECVTGRZ-LLVKDONJSA-N 1 2 244.298 1.013 20 0 BDADLO CC[C@@]1(O)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000640032110 358125257 /nfs/dbraw/zinc/12/52/57/358125257.db2.gz YULMDFCEXAGLKK-LLVKDONJSA-N 1 2 225.292 1.115 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000640032110 358125258 /nfs/dbraw/zinc/12/52/58/358125258.db2.gz YULMDFCEXAGLKK-LLVKDONJSA-N 1 2 225.292 1.115 20 0 BDADLO CC(=O)c1cccc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000450624161 202214660 /nfs/dbraw/zinc/21/46/60/202214660.db2.gz OTMPQMOHMSWMEB-ZDUSSCGKSA-N 1 2 246.310 1.210 20 0 BDADLO CC(=O)c1cccc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000450624161 202214663 /nfs/dbraw/zinc/21/46/63/202214663.db2.gz OTMPQMOHMSWMEB-ZDUSSCGKSA-N 1 2 246.310 1.210 20 0 BDADLO CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000450628361 202217162 /nfs/dbraw/zinc/21/71/62/202217162.db2.gz VRXLYFVLPYZDCA-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCCC(=O)CC ZINC000450638417 202219787 /nfs/dbraw/zinc/21/97/87/202219787.db2.gz ITTRRDJPKHXTTE-GFCCVEGCSA-N 1 2 240.347 1.346 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCCC(=O)CC ZINC000450638417 202219790 /nfs/dbraw/zinc/21/97/90/202219790.db2.gz ITTRRDJPKHXTTE-GFCCVEGCSA-N 1 2 240.347 1.346 20 0 BDADLO C[C@H]1C[C@@H](c2noc(Cn3cc[nH+]c3)n2)CCO1 ZINC000584872941 358207583 /nfs/dbraw/zinc/20/75/83/358207583.db2.gz GVIHLBHVQVLNHW-UWVGGRQHSA-N 1 2 248.286 1.597 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC000450687360 202234259 /nfs/dbraw/zinc/23/42/59/202234259.db2.gz APGGRQHNHIXDSF-SRVKXCTJSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1nc(NC[C@@H]2CCOC3(CCC3)C2)cc[nH+]1 ZINC000450717494 202243570 /nfs/dbraw/zinc/24/35/70/202243570.db2.gz LCQKYQCCDQHSRL-GFCCVEGCSA-N 1 2 247.342 1.968 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CC13CCC(CC1)C3)C2 ZINC000450743484 202254434 /nfs/dbraw/zinc/25/44/34/202254434.db2.gz HMDDPKKGHAJOJW-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CC13CCC(CC1)C3)C2 ZINC000450743484 202254436 /nfs/dbraw/zinc/25/44/36/202254436.db2.gz HMDDPKKGHAJOJW-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO O=C1N=NC2C[N@H+](CC34CCC(CC3)C4)CCN12 ZINC000450743484 202254440 /nfs/dbraw/zinc/25/44/40/202254440.db2.gz HMDDPKKGHAJOJW-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO O=C1N=NC2C[N@@H+](CC34CCC(CC3)C4)CCN12 ZINC000450743484 202254443 /nfs/dbraw/zinc/25/44/43/202254443.db2.gz HMDDPKKGHAJOJW-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO NC(=O)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000046228993 181296636 /nfs/dbraw/zinc/29/66/36/181296636.db2.gz FUSZJKUUCNSNAC-UHFFFAOYSA-N 1 2 227.267 1.793 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H](C)CO ZINC000450737408 202251746 /nfs/dbraw/zinc/25/17/46/202251746.db2.gz JBYRGBDWLYQUMV-WOPDTQHZSA-N 1 2 245.363 1.571 20 0 BDADLO CO[C@@H]1CCN(c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000450770754 202261916 /nfs/dbraw/zinc/26/19/16/202261916.db2.gz IUUSJNWPJATPCP-GXSJLCMTSA-N 1 2 221.304 1.646 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363511 358322823 /nfs/dbraw/zinc/32/28/23/358322823.db2.gz CGSSXQUXMFUGLR-MXWKQRLJSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363511 358322826 /nfs/dbraw/zinc/32/28/26/358322826.db2.gz CGSSXQUXMFUGLR-MXWKQRLJSA-N 1 2 228.336 1.010 20 0 BDADLO Cn1cnc(CNc2ccc3ccccc3[nH+]2)n1 ZINC000218901743 134270128 /nfs/dbraw/zinc/27/01/28/134270128.db2.gz LHXROYIDGUAAHJ-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000228648946 358382809 /nfs/dbraw/zinc/38/28/09/358382809.db2.gz RHDYQGFFECXFBG-UHFFFAOYSA-N 1 2 240.253 1.885 20 0 BDADLO CC(C)(C)OC(=O)C[NH+]1CCC(CO)CC1 ZINC000047958776 358608308 /nfs/dbraw/zinc/60/83/08/358608308.db2.gz PHKRMCVISQLMQF-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130181943 358611325 /nfs/dbraw/zinc/61/13/25/358611325.db2.gz BIDMBSXCAZHTOD-NSHDSACASA-N 1 2 235.331 1.608 20 0 BDADLO CCCc1noc(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000048065570 358613536 /nfs/dbraw/zinc/61/35/36/358613536.db2.gz GODCDNWVKRXUEX-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000048065570 358613538 /nfs/dbraw/zinc/61/35/38/358613538.db2.gz GODCDNWVKRXUEX-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC(F)F ZINC000640195063 358623075 /nfs/dbraw/zinc/62/30/75/358623075.db2.gz PLYCBYSFKDIRIV-SSDOTTSWSA-N 1 2 246.261 1.528 20 0 BDADLO OC[C@@H]1C[C@H](O)CN1c1cc2ccccc2c[nH+]1 ZINC000631185151 358748120 /nfs/dbraw/zinc/74/81/20/358748120.db2.gz BELFOCIYFLJHQX-STQMWFEESA-N 1 2 244.294 1.167 20 0 BDADLO CC[C@@H](Nc1nccn(C)c1=O)c1[nH]cc[nH+]1 ZINC000139841537 358748319 /nfs/dbraw/zinc/74/83/19/358748319.db2.gz UFXJPCXVSURJJT-MRVPVSSYSA-N 1 2 233.275 1.067 20 0 BDADLO C[C@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000133331932 358750607 /nfs/dbraw/zinc/75/06/07/358750607.db2.gz RMZUIDARNAPFBA-IUCAKERBSA-N 1 2 231.303 1.964 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc(NC(N)=O)c1 ZINC000051923216 358768263 /nfs/dbraw/zinc/76/82/63/358768263.db2.gz OCRZQRBEMQNDQM-UHFFFAOYSA-N 1 2 245.286 1.523 20 0 BDADLO CCOC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000132530375 358727487 /nfs/dbraw/zinc/72/74/87/358727487.db2.gz WSXXLWNGWZYLRV-IJLUTSLNSA-N 1 2 243.347 1.683 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(C)on2)cn1 ZINC000050539782 358733619 /nfs/dbraw/zinc/73/36/19/358733619.db2.gz URBCXXPXVXDRKB-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CCSC)o1 ZINC000134198753 358782789 /nfs/dbraw/zinc/78/27/89/358782789.db2.gz YYAZPJJAWGAENY-MRVPVSSYSA-N 1 2 229.349 1.988 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CCSC)o1 ZINC000134198753 358782792 /nfs/dbraw/zinc/78/27/92/358782792.db2.gz YYAZPJJAWGAENY-MRVPVSSYSA-N 1 2 229.349 1.988 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCC(=O)NC(C)(C)C ZINC000134591684 358797807 /nfs/dbraw/zinc/79/78/07/358797807.db2.gz DXVCPOUBYMODTG-UHFFFAOYSA-N 1 2 238.335 1.113 20 0 BDADLO CCc1ccsc1C(=O)N1CC[NH+](C)CC1 ZINC000052916615 358801851 /nfs/dbraw/zinc/80/18/51/358801851.db2.gz REKBAKXBEDIDKD-UHFFFAOYSA-N 1 2 238.356 1.698 20 0 BDADLO CC[C@@H](C)[C@@H](NCc1c[nH+]c[nH]1)C(=O)OC ZINC000054764805 358872567 /nfs/dbraw/zinc/87/25/67/358872567.db2.gz ZFFQEICHUVGPRT-PSASIEDQSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@@H](C)[C@@H](NCc1c[nH]c[nH+]1)C(=O)OC ZINC000054764805 358872572 /nfs/dbraw/zinc/87/25/72/358872572.db2.gz ZFFQEICHUVGPRT-PSASIEDQSA-N 1 2 225.292 1.087 20 0 BDADLO C[C@H](Cc1nc([C@H]2CCOC2)no1)n1cc[nH+]c1 ZINC000351395042 366521579 /nfs/dbraw/zinc/52/15/79/366521579.db2.gz BWMUJWZHRCFLBC-ZJUUUORDSA-N 1 2 248.286 1.574 20 0 BDADLO Cc1cc(NCCCO)nc(-c2ccncc2)[nH+]1 ZINC000057824875 358907261 /nfs/dbraw/zinc/90/72/61/358907261.db2.gz KECGFNKPLLNUHH-UHFFFAOYSA-N 1 2 244.298 1.641 20 0 BDADLO C[C@H](c1noc(C[NH+](C)C)n1)c1nccs1 ZINC000351337798 366509693 /nfs/dbraw/zinc/50/96/93/366509693.db2.gz KNXZUPVBBXZQCX-SSDOTTSWSA-N 1 2 238.316 1.740 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@H]1C(F)F)n1cc[nH+]c1 ZINC000633238434 358969995 /nfs/dbraw/zinc/96/99/95/358969995.db2.gz IBSCTOYIZZSRIX-DTWKUNHWSA-N 1 2 243.257 1.700 20 0 BDADLO CC[C@@H](NC(=O)c1cccc(C)n1)c1[nH]cc[nH+]1 ZINC000140456930 358922536 /nfs/dbraw/zinc/92/25/36/358922536.db2.gz AMJAIALLPYCTPU-SNVBAGLBSA-N 1 2 244.298 1.994 20 0 BDADLO CC[C@H](NC(=O)CC[C@@H](C)OC)c1[nH]cc[nH+]1 ZINC000140646566 358923375 /nfs/dbraw/zinc/92/33/75/358923375.db2.gz OVOQZHVWKHKDOG-ZJUUUORDSA-N 1 2 239.319 1.792 20 0 BDADLO CC[C@H](NC(=O)c1cncc(C)c1)c1[nH]cc[nH+]1 ZINC000140538485 358923797 /nfs/dbraw/zinc/92/37/97/358923797.db2.gz IYWJOMJXYDCDSB-NSHDSACASA-N 1 2 244.298 1.994 20 0 BDADLO C[C@H](Cc1nc([C@H]2CCCO2)no1)n1cc[nH+]c1 ZINC000351417393 366524333 /nfs/dbraw/zinc/52/43/33/366524333.db2.gz QTBSZMBVVRLVKR-NXEZZACHSA-N 1 2 248.286 1.921 20 0 BDADLO C[C@@H](Cc1nc([C@H]2CCCO2)no1)n1cc[nH+]c1 ZINC000351417399 366525245 /nfs/dbraw/zinc/52/52/45/366525245.db2.gz QTBSZMBVVRLVKR-VHSXEESVSA-N 1 2 248.286 1.921 20 0 BDADLO CCc1cc(N)nc(SC[C@@H](C)CO)[nH+]1 ZINC000308845539 491138878 /nfs/dbraw/zinc/13/88/78/491138878.db2.gz PDJMKNKRYZJPTI-ZETCQYMHSA-N 1 2 227.333 1.342 20 0 BDADLO CC[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000548194536 325440574 /nfs/dbraw/zinc/44/05/74/325440574.db2.gz OEZGUALFIHTMFY-VIFPVBQESA-N 1 2 209.293 1.220 20 0 BDADLO COc1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000070978925 359067638 /nfs/dbraw/zinc/06/76/38/359067638.db2.gz JGDHOZHSDLTYQH-UHFFFAOYSA-N 1 2 245.282 1.691 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2c(c1)OCO2 ZINC000070990163 359068607 /nfs/dbraw/zinc/06/86/07/359068607.db2.gz YXRRGLRDNLXBCB-UHFFFAOYSA-N 1 2 245.238 1.068 20 0 BDADLO CCc1noc(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000070990118 359068707 /nfs/dbraw/zinc/06/87/07/359068707.db2.gz QHYXFMRQINZIQM-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070989844 359068755 /nfs/dbraw/zinc/06/87/55/359068755.db2.gz PQIBQEVXCIVOQV-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO O=C(Cc1ccccc1F)NCc1[nH]cc[nH+]1 ZINC000070989889 359068770 /nfs/dbraw/zinc/06/87/70/359068770.db2.gz MZBDCDZRMAFIQO-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO CO[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000070990982 359069655 /nfs/dbraw/zinc/06/96/55/359069655.db2.gz XAYJCFKVLXOSGJ-LBPRGKRZSA-N 1 2 245.282 1.414 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccccc1O ZINC000071140944 359072240 /nfs/dbraw/zinc/07/22/40/359072240.db2.gz VXOKTZWKLKAPBO-UHFFFAOYSA-N 1 2 231.255 1.056 20 0 BDADLO O=c1c2ccccc2ncn1CCn1cc[nH+]c1 ZINC000073527192 359102454 /nfs/dbraw/zinc/10/24/54/359102454.db2.gz VDJXLFVVIPGFEY-UHFFFAOYSA-N 1 2 240.266 1.293 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)[C@H]2C)o1 ZINC000246465535 359106679 /nfs/dbraw/zinc/10/66/79/359106679.db2.gz WUVIEHSTCRKZMY-SFYZADRCSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)o1 ZINC000246465535 359106685 /nfs/dbraw/zinc/10/66/85/359106685.db2.gz WUVIEHSTCRKZMY-SFYZADRCSA-N 1 2 227.333 1.704 20 0 BDADLO NC(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000074450027 359119194 /nfs/dbraw/zinc/11/91/94/359119194.db2.gz MYHGXRZBRJWRMM-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO NC(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000074450027 359119198 /nfs/dbraw/zinc/11/91/98/359119198.db2.gz MYHGXRZBRJWRMM-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C[C@H](C)O)cc[nH+]1 ZINC000246662385 359155573 /nfs/dbraw/zinc/15/55/73/359155573.db2.gz KTYOQJZRRNLCBR-GXSJLCMTSA-N 1 2 221.304 1.525 20 0 BDADLO COCCOCCCCNc1cccc[nH+]1 ZINC000136350883 325451237 /nfs/dbraw/zinc/45/12/37/325451237.db2.gz KGLGDRXGGZHJTM-UHFFFAOYSA-N 1 2 224.304 1.937 20 0 BDADLO CCCCc1cc(NC[C@H](O)CCC)nc[nH+]1 ZINC000631117588 359303876 /nfs/dbraw/zinc/30/38/76/359303876.db2.gz PIOWOXFJTGNEOV-GFCCVEGCSA-N 1 2 237.347 1.814 20 0 BDADLO CC[C@]1([NH2+]Cc2nnsc2Cl)CCOC1 ZINC000308903913 491140013 /nfs/dbraw/zinc/14/00/13/491140013.db2.gz BYRUPMSRLJRCTC-VIFPVBQESA-N 1 2 247.751 1.850 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1CNCc1[nH]ncc1C ZINC000290077451 359370341 /nfs/dbraw/zinc/37/03/41/359370341.db2.gz YTVIYYXGTWJXDJ-LLVKDONJSA-N 1 2 222.336 1.292 20 0 BDADLO CC[N@H+]1CCC[C@@H]1CNCc1[nH]ncc1C ZINC000290077451 359370348 /nfs/dbraw/zinc/37/03/48/359370348.db2.gz YTVIYYXGTWJXDJ-LLVKDONJSA-N 1 2 222.336 1.292 20 0 BDADLO CCN1CCC[C@@H]1C[NH2+]Cc1n[nH]cc1C ZINC000290077451 359370355 /nfs/dbraw/zinc/37/03/55/359370355.db2.gz YTVIYYXGTWJXDJ-LLVKDONJSA-N 1 2 222.336 1.292 20 0 BDADLO Cn1c[nH+]cc1CN[C@@H]1CCCC1(F)F ZINC000308894572 491139913 /nfs/dbraw/zinc/13/99/13/491139913.db2.gz ZBLZIWNLDFCORY-SECBINFHSA-N 1 2 215.247 1.698 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502047 359385084 /nfs/dbraw/zinc/38/50/84/359385084.db2.gz MHUZWOJBQKPSPB-UTLUCORTSA-N 1 2 217.284 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502047 359385087 /nfs/dbraw/zinc/38/50/87/359385087.db2.gz MHUZWOJBQKPSPB-UTLUCORTSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)c1ccncc1)C1CC1 ZINC000611614326 359401319 /nfs/dbraw/zinc/40/13/19/359401319.db2.gz JVHZHKOUXNIQKS-GWCFXTLKSA-N 1 2 248.326 1.726 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)Cc1ccco1 ZINC000611794349 359452801 /nfs/dbraw/zinc/45/28/01/359452801.db2.gz IFLAEEHGIBWLNV-VIFPVBQESA-N 1 2 247.298 1.806 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCCSC2)C1 ZINC000580447986 359563358 /nfs/dbraw/zinc/56/33/58/359563358.db2.gz XOKXVOQQAUAIRB-JTQLQIEISA-N 1 2 242.388 1.340 20 0 BDADLO CC(C)c1nc(NCCC2(CO)CC2)cc[nH+]1 ZINC000450818801 202276434 /nfs/dbraw/zinc/27/64/34/202276434.db2.gz BORRWOCJVPOHAY-UHFFFAOYSA-N 1 2 235.331 1.596 20 0 BDADLO CC[C@H](O)[C@H](CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000450862910 202292237 /nfs/dbraw/zinc/29/22/37/202292237.db2.gz RFAIYTGWFHVMLT-QWRGUYRKSA-N 1 2 235.331 1.737 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](O)C2CC2)c(C)[nH+]1 ZINC000612226117 359740779 /nfs/dbraw/zinc/74/07/79/359740779.db2.gz HCPBGRRWYIZNAC-NSHDSACASA-N 1 2 220.272 1.408 20 0 BDADLO CC1=CCC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000450913602 202307534 /nfs/dbraw/zinc/30/75/34/202307534.db2.gz MRKIIIVHVZZINU-UHFFFAOYSA-N 1 2 232.331 1.840 20 0 BDADLO CC1=CCC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000450913602 202307538 /nfs/dbraw/zinc/30/75/38/202307538.db2.gz MRKIIIVHVZZINU-UHFFFAOYSA-N 1 2 232.331 1.840 20 0 BDADLO C[N@H+](Cc1cn(CC2CC2)nn1)[C@H]1CC1(C)C ZINC000450882009 202295259 /nfs/dbraw/zinc/29/52/59/202295259.db2.gz ZZBLXNZIOOVNIT-LBPRGKRZSA-N 1 2 234.347 1.918 20 0 BDADLO C[N@@H+](Cc1cn(CC2CC2)nn1)[C@H]1CC1(C)C ZINC000450882009 202295262 /nfs/dbraw/zinc/29/52/62/202295262.db2.gz ZZBLXNZIOOVNIT-LBPRGKRZSA-N 1 2 234.347 1.918 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000450927485 202312429 /nfs/dbraw/zinc/31/24/29/202312429.db2.gz CFADZXKHOCLHLQ-ZJUUUORDSA-N 1 2 237.303 1.138 20 0 BDADLO COC[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000450942043 202317807 /nfs/dbraw/zinc/31/78/07/202317807.db2.gz QVAWSZYUGGKZBS-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)s1)[C@H](C)CO ZINC000451062399 202344294 /nfs/dbraw/zinc/34/42/94/202344294.db2.gz SEYOGDUXZONXBY-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)s1)[C@H](C)CO ZINC000451062399 202344296 /nfs/dbraw/zinc/34/42/96/202344296.db2.gz SEYOGDUXZONXBY-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)s1)[C@@H](C)CO ZINC000451073623 202347546 /nfs/dbraw/zinc/34/75/46/202347546.db2.gz SEYOGDUXZONXBY-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)s1)[C@@H](C)CO ZINC000451073623 202347550 /nfs/dbraw/zinc/34/75/50/202347550.db2.gz SEYOGDUXZONXBY-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451120445 202355217 /nfs/dbraw/zinc/35/52/17/202355217.db2.gz KDNOAKHKHQVXPN-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCC[C@](C)(F)C1 ZINC000451120445 202355220 /nfs/dbraw/zinc/35/52/20/202355220.db2.gz KDNOAKHKHQVXPN-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451120819 202356442 /nfs/dbraw/zinc/35/64/42/202356442.db2.gz LTNPRFVODPZPNR-YPMHNXCESA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451120819 202356446 /nfs/dbraw/zinc/35/64/46/202356446.db2.gz LTNPRFVODPZPNR-YPMHNXCESA-N 1 2 244.354 1.971 20 0 BDADLO Cc1nc(C[N@@H+](C)C(C)(C)C(N)=O)c(C)s1 ZINC000451138069 202357870 /nfs/dbraw/zinc/35/78/70/202357870.db2.gz XPEJKCWVRSECST-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1nc(C[N@H+](C)C(C)(C)C(N)=O)c(C)s1 ZINC000451138069 202357873 /nfs/dbraw/zinc/35/78/73/202357873.db2.gz XPEJKCWVRSECST-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO CCc1nc(C)c(C[N@H+](C2CC2)C2COC2)o1 ZINC000451124477 202360740 /nfs/dbraw/zinc/36/07/40/202360740.db2.gz IOWOIAQCVKNVGR-UHFFFAOYSA-N 1 2 236.315 1.909 20 0 BDADLO CCc1nc(C)c(C[N@@H+](C2CC2)C2COC2)o1 ZINC000451124477 202360743 /nfs/dbraw/zinc/36/07/43/202360743.db2.gz IOWOIAQCVKNVGR-UHFFFAOYSA-N 1 2 236.315 1.909 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451188099 202372425 /nfs/dbraw/zinc/37/24/25/202372425.db2.gz NXDGWPBJTIZGHT-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451188099 202372429 /nfs/dbraw/zinc/37/24/29/202372429.db2.gz NXDGWPBJTIZGHT-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO CCCCN(CC)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451185319 202373207 /nfs/dbraw/zinc/37/32/07/202373207.db2.gz LHLHAROFXHDCLV-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO CCCCN(CC)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451185319 202373209 /nfs/dbraw/zinc/37/32/09/202373209.db2.gz LHLHAROFXHDCLV-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1CC2(CC2)C1 ZINC000612582558 359895485 /nfs/dbraw/zinc/89/54/85/359895485.db2.gz OZCCTJJBKWYMLG-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO CCc1nc(C)c(C[N@@H+](CC)C2COC2)o1 ZINC000451292008 202398522 /nfs/dbraw/zinc/39/85/22/202398522.db2.gz SBFHLEODEFYJPS-UHFFFAOYSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1nc(C)c(C[N@H+](CC)C2COC2)o1 ZINC000451292008 202398525 /nfs/dbraw/zinc/39/85/25/202398525.db2.gz SBFHLEODEFYJPS-UHFFFAOYSA-N 1 2 224.304 1.766 20 0 BDADLO CC[C@H](C[NH2+][C@@H](C)c1cn[nH]c1C)OC ZINC000309186439 491145993 /nfs/dbraw/zinc/14/59/93/491145993.db2.gz OWFLZPNFFSUDGN-WCBMZHEXSA-N 1 2 211.309 1.794 20 0 BDADLO Cc1nc2c(c(N3CCCCN3)[nH+]1)CCCC2 ZINC000578603849 366606174 /nfs/dbraw/zinc/60/61/74/366606174.db2.gz CMIPPRPVNOVZQD-UHFFFAOYSA-N 1 2 232.331 1.769 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCC[C@@H]1CO ZINC000088619498 359970326 /nfs/dbraw/zinc/97/03/26/359970326.db2.gz HZOFDOWCIXDZHV-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCC[C@@H]1CO ZINC000088619498 359970328 /nfs/dbraw/zinc/97/03/28/359970328.db2.gz HZOFDOWCIXDZHV-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO CCCC[N@H+](CCO)Cc1ncnn1C(C)C ZINC000088619546 359970344 /nfs/dbraw/zinc/97/03/44/359970344.db2.gz JBUMSIPUHVAVID-UHFFFAOYSA-N 1 2 240.351 1.453 20 0 BDADLO CCCC[N@@H+](CCO)Cc1ncnn1C(C)C ZINC000088619546 359970347 /nfs/dbraw/zinc/97/03/47/359970347.db2.gz JBUMSIPUHVAVID-UHFFFAOYSA-N 1 2 240.351 1.453 20 0 BDADLO CO[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000088759377 359976893 /nfs/dbraw/zinc/97/68/93/359976893.db2.gz YTVVJWUYZWDEAM-GFCCVEGCSA-N 1 2 245.282 1.414 20 0 BDADLO CO[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000088759377 359976897 /nfs/dbraw/zinc/97/68/97/359976897.db2.gz YTVVJWUYZWDEAM-GFCCVEGCSA-N 1 2 245.282 1.414 20 0 BDADLO COc1ccccc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000088759231 359977555 /nfs/dbraw/zinc/97/75/55/359977555.db2.gz JKZAUUVAMWRQQD-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO COc1ccccc1CC(=O)NCc1c[nH]c[nH+]1 ZINC000088759231 359977556 /nfs/dbraw/zinc/97/75/56/359977556.db2.gz JKZAUUVAMWRQQD-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@@H](C(=O)OC)C1CC1 ZINC000088796003 359979700 /nfs/dbraw/zinc/97/97/00/359979700.db2.gz HJFWKPIOMMDBPZ-CYBMUJFWSA-N 1 2 248.326 1.855 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@@H](C(=O)OC)C1CC1 ZINC000088796003 359979702 /nfs/dbraw/zinc/97/97/02/359979702.db2.gz HJFWKPIOMMDBPZ-CYBMUJFWSA-N 1 2 248.326 1.855 20 0 BDADLO CN(CC1(O)CCC1)c1cc(NC2CC2)[nH+]cn1 ZINC000578858050 366659590 /nfs/dbraw/zinc/65/95/90/366659590.db2.gz VPYJPCFMJWPFTE-UHFFFAOYSA-N 1 2 248.330 1.402 20 0 BDADLO CN(CC1(O)CCC1)c1cc(NC2CC2)nc[nH+]1 ZINC000578858050 366659593 /nfs/dbraw/zinc/65/95/93/366659593.db2.gz VPYJPCFMJWPFTE-UHFFFAOYSA-N 1 2 248.330 1.402 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612695453 360011172 /nfs/dbraw/zinc/01/11/72/360011172.db2.gz JMAUHRKXKIBFRU-ZJUUUORDSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612695453 360011174 /nfs/dbraw/zinc/01/11/74/360011174.db2.gz JMAUHRKXKIBFRU-ZJUUUORDSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1nc(N[C@H](C)CC2CCC2)nc(N)[nH+]1 ZINC000631517965 360102674 /nfs/dbraw/zinc/10/26/74/360102674.db2.gz IMPGCTPPCVASDM-SSDOTTSWSA-N 1 2 221.308 1.005 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)CC2CCC2)[nH+]1 ZINC000631517965 360102681 /nfs/dbraw/zinc/10/26/81/360102681.db2.gz IMPGCTPPCVASDM-SSDOTTSWSA-N 1 2 221.308 1.005 20 0 BDADLO CCC[C@@]1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091588081 360120788 /nfs/dbraw/zinc/12/07/88/360120788.db2.gz DYDDXUOJMKEWJI-LBPRGKRZSA-N 1 2 238.335 1.500 20 0 BDADLO CCC[C@@]1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091588081 360120793 /nfs/dbraw/zinc/12/07/93/360120793.db2.gz DYDDXUOJMKEWJI-LBPRGKRZSA-N 1 2 238.335 1.500 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000092254301 360159021 /nfs/dbraw/zinc/15/90/21/360159021.db2.gz GSZREHUKEPXVGP-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000092254301 360159027 /nfs/dbraw/zinc/15/90/27/360159027.db2.gz GSZREHUKEPXVGP-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092617316 360184665 /nfs/dbraw/zinc/18/46/65/360184665.db2.gz TYHGJUSQQFOBBZ-UHFFFAOYSA-N 1 2 246.314 1.509 20 0 BDADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092617316 360184669 /nfs/dbraw/zinc/18/46/69/360184669.db2.gz TYHGJUSQQFOBBZ-UHFFFAOYSA-N 1 2 246.314 1.509 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cccnc2C)CCO1 ZINC000093529427 360256130 /nfs/dbraw/zinc/25/61/30/360256130.db2.gz RKWKIAQZGHZAME-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cccnc2C)CCO1 ZINC000093529427 360256133 /nfs/dbraw/zinc/25/61/33/360256133.db2.gz RKWKIAQZGHZAME-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CC[N@H+](Cc1ccnn1C)Cc1ccccn1 ZINC000093338873 360233809 /nfs/dbraw/zinc/23/38/09/360233809.db2.gz RTCIWWJTMLPAMY-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1ccnn1C)Cc1ccccn1 ZINC000093338873 360233814 /nfs/dbraw/zinc/23/38/14/360233814.db2.gz RTCIWWJTMLPAMY-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1C ZINC000093771801 360275651 /nfs/dbraw/zinc/27/56/51/360275651.db2.gz GCABTWNKCASDEX-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1C ZINC000093771801 360275653 /nfs/dbraw/zinc/27/56/53/360275653.db2.gz GCABTWNKCASDEX-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]([NH2+]CCn1cccn1)C(=O)OCC ZINC000096593543 360350222 /nfs/dbraw/zinc/35/02/22/360350222.db2.gz NLGAGTGVGYKMSM-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000096785843 360354188 /nfs/dbraw/zinc/35/41/88/360354188.db2.gz XUWVMHAFPWNRPA-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCO[C@H](CC)C1 ZINC000096593455 360350570 /nfs/dbraw/zinc/35/05/70/360350570.db2.gz CMEHQLTXHIXEQG-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CCO[C@H](CC)C1 ZINC000096593455 360350576 /nfs/dbraw/zinc/35/05/76/360350576.db2.gz CMEHQLTXHIXEQG-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO O=C(NC1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096641895 360351333 /nfs/dbraw/zinc/35/13/33/360351333.db2.gz LUMQSVDPLFBGEJ-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCC23CC3)C1 ZINC000633779885 360487648 /nfs/dbraw/zinc/48/76/48/360487648.db2.gz RSTBWZLLKBUHNK-LLVKDONJSA-N 1 2 236.359 1.777 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](CO)CCC(C)C)c[nH+]1 ZINC000628711395 360621768 /nfs/dbraw/zinc/62/17/68/360621768.db2.gz MXZKFOQVPIOFDN-SNVBAGLBSA-N 1 2 239.319 1.245 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000628831071 360684541 /nfs/dbraw/zinc/68/45/41/360684541.db2.gz LQFBVWPXCNTZSB-PWSUYJOCSA-N 1 2 237.303 1.026 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000628831071 360684546 /nfs/dbraw/zinc/68/45/46/360684546.db2.gz LQFBVWPXCNTZSB-PWSUYJOCSA-N 1 2 237.303 1.026 20 0 BDADLO CCC(F)(F)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000628841771 360698414 /nfs/dbraw/zinc/69/84/14/360698414.db2.gz XOIDRZCUUZJOTM-UHFFFAOYSA-N 1 2 245.273 1.849 20 0 BDADLO CCC(C)(CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915925 360749620 /nfs/dbraw/zinc/74/96/20/360749620.db2.gz VPTXPQQUWFKVIV-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915925 360749629 /nfs/dbraw/zinc/74/96/29/360749629.db2.gz VPTXPQQUWFKVIV-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153717341 360776838 /nfs/dbraw/zinc/77/68/38/360776838.db2.gz MBMNTULWRNWZLO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)nc1 ZINC000153717341 360776840 /nfs/dbraw/zinc/77/68/40/360776840.db2.gz MBMNTULWRNWZLO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO C/C=C\CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000629032394 360812534 /nfs/dbraw/zinc/81/25/34/360812534.db2.gz CWEMFQKNIKPAFA-PLNGDYQASA-N 1 2 207.277 1.380 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)COCC)C(=O)OC ZINC000154628708 360841336 /nfs/dbraw/zinc/84/13/36/360841336.db2.gz FQHOBANFFOWMSR-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)nc(N)[nH+]1 ZINC000631204259 360929459 /nfs/dbraw/zinc/92/94/59/360929459.db2.gz YBANIWOHENFTBE-JMJZKYOTSA-N 1 2 247.346 1.607 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)[nH+]1 ZINC000631204259 360929460 /nfs/dbraw/zinc/92/94/60/360929460.db2.gz YBANIWOHENFTBE-JMJZKYOTSA-N 1 2 247.346 1.607 20 0 BDADLO COc1nc(C)ccc1OCc1c[nH+]cn1C ZINC000629382050 361034295 /nfs/dbraw/zinc/03/42/95/361034295.db2.gz CZMDEEXCVPOOKM-UHFFFAOYSA-N 1 2 233.271 1.711 20 0 BDADLO NC(=S)c1ccc[nH+]c1NCC(F)(F)F ZINC000019475753 181322101 /nfs/dbraw/zinc/32/21/01/181322101.db2.gz UJKNECXGLIBNSX-UHFFFAOYSA-N 1 2 235.234 1.690 20 0 BDADLO CCCc1[nH+]c2ccccc2n1CCC(N)=O ZINC000006869206 361044558 /nfs/dbraw/zinc/04/45/58/361044558.db2.gz GQGCYDAYERYFQI-UHFFFAOYSA-N 1 2 231.299 1.864 20 0 BDADLO Cc1cc(C[NH2+]Cc2conc2C)nn1C ZINC000631209198 361071196 /nfs/dbraw/zinc/07/11/96/361071196.db2.gz RARJSKIJJMMAJK-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO COc1ncncc1C[NH2+]Cc1conc1C ZINC000631209775 361075559 /nfs/dbraw/zinc/07/55/59/361075559.db2.gz ZLQXGUKKHCLPRD-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO C[C@@H](CC(=O)NCC1=CCCOC1)n1cc[nH+]c1 ZINC000578991148 366688393 /nfs/dbraw/zinc/68/83/93/366688393.db2.gz DFIWCBKPIYYBCN-NSHDSACASA-N 1 2 249.314 1.297 20 0 BDADLO CC(C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000169798299 361131573 /nfs/dbraw/zinc/13/15/73/361131573.db2.gz FHSTWFPMMMVGAY-SNVBAGLBSA-N 1 2 221.304 1.360 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2cscn2)cc1=O ZINC000138787151 361161157 /nfs/dbraw/zinc/16/11/57/361161157.db2.gz WUXBGPGUWPSBNJ-UHFFFAOYSA-N 1 2 249.339 1.474 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2cscn2)cc1=O ZINC000138787151 361161161 /nfs/dbraw/zinc/16/11/61/361161161.db2.gz WUXBGPGUWPSBNJ-UHFFFAOYSA-N 1 2 249.339 1.474 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)ncn1 ZINC000309725899 491155120 /nfs/dbraw/zinc/15/51/20/491155120.db2.gz XYRIKUCZWGDIAH-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO O=C([C@H]1CC12CCC2)N1CCn2c[nH+]cc2C1 ZINC000640454070 361231180 /nfs/dbraw/zinc/23/11/80/361231180.db2.gz CNDSDXWOKQHJCB-LLVKDONJSA-N 1 2 231.299 1.416 20 0 BDADLO C[C@@H]([NH2+]Cc1nnn(C)n1)c1cccs1 ZINC000194425907 361244051 /nfs/dbraw/zinc/24/40/51/361244051.db2.gz RRPZKNMYXBTCLP-SSDOTTSWSA-N 1 2 223.305 1.122 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1O ZINC000428290260 201006092 /nfs/dbraw/zinc/00/60/92/201006092.db2.gz LZZFVJSGGYWYLT-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1O ZINC000428290260 201006095 /nfs/dbraw/zinc/00/60/95/201006095.db2.gz LZZFVJSGGYWYLT-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nc(C)c(CN(C)Cc2[nH+]ccn2C)o1 ZINC000428308901 201007143 /nfs/dbraw/zinc/00/71/43/201007143.db2.gz JPQXMVRWDNGTKX-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000579124080 366717590 /nfs/dbraw/zinc/71/75/90/366717590.db2.gz FLAICKITBRVRPR-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000579124080 366717593 /nfs/dbraw/zinc/71/75/93/366717593.db2.gz FLAICKITBRVRPR-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO COCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579023620 366698079 /nfs/dbraw/zinc/69/80/79/366698079.db2.gz VCFSYUXZTVTYFE-VHSXEESVSA-N 1 2 239.319 1.130 20 0 BDADLO COCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579023620 366698082 /nfs/dbraw/zinc/69/80/82/366698082.db2.gz VCFSYUXZTVTYFE-VHSXEESVSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)CCO1 ZINC000428252771 201004102 /nfs/dbraw/zinc/00/41/02/201004102.db2.gz LEEANMBCDBKRTI-NEPJUHHUSA-N 1 2 235.331 1.957 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)CCO1 ZINC000428252771 201004103 /nfs/dbraw/zinc/00/41/03/201004103.db2.gz LEEANMBCDBKRTI-NEPJUHHUSA-N 1 2 235.331 1.957 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000428249401 201004854 /nfs/dbraw/zinc/00/48/54/201004854.db2.gz SSRSYCKBYZCADX-ZYHUDNBSSA-N 1 2 248.330 1.009 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000428249401 201004857 /nfs/dbraw/zinc/00/48/57/201004857.db2.gz SSRSYCKBYZCADX-ZYHUDNBSSA-N 1 2 248.330 1.009 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@@H](F)C1 ZINC000579025214 366699374 /nfs/dbraw/zinc/69/93/74/366699374.db2.gz ZWSSBPNIVKULPZ-HTQZYQBOSA-N 1 2 240.282 1.760 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@@H](F)C1 ZINC000579025214 366699379 /nfs/dbraw/zinc/69/93/79/366699379.db2.gz ZWSSBPNIVKULPZ-HTQZYQBOSA-N 1 2 240.282 1.760 20 0 BDADLO CC[N@@H+]1C[C@H](C)N(Cc2n[nH]c(C)n2)C[C@@H]1C ZINC000428296013 201005191 /nfs/dbraw/zinc/00/51/91/201005191.db2.gz UYHRORKUIITBJT-UWVGGRQHSA-N 1 2 237.351 1.028 20 0 BDADLO CC[N@H+]1C[C@H](C)N(Cc2n[nH]c(C)n2)C[C@@H]1C ZINC000428296013 201005192 /nfs/dbraw/zinc/00/51/92/201005192.db2.gz UYHRORKUIITBJT-UWVGGRQHSA-N 1 2 237.351 1.028 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)C2)ncn1 ZINC000428459745 201019821 /nfs/dbraw/zinc/01/98/21/201019821.db2.gz ZWQFEJMBZZBCSX-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)C2)ncn1 ZINC000428459745 201019824 /nfs/dbraw/zinc/01/98/24/201019824.db2.gz ZWQFEJMBZZBCSX-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Nc1ccc(NC(=O)CCCn2cccn2)c[nH+]1 ZINC000428907497 201048586 /nfs/dbraw/zinc/04/85/86/201048586.db2.gz ODIBBNAPMJETIP-UHFFFAOYSA-N 1 2 245.286 1.110 20 0 BDADLO Cc1nc(N(C)[C@H]2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000428664370 201031805 /nfs/dbraw/zinc/03/18/05/201031805.db2.gz IXAFSAMTIZPXSV-KOLCDFICSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000428664370 201031808 /nfs/dbraw/zinc/03/18/08/201031808.db2.gz IXAFSAMTIZPXSV-KOLCDFICSA-N 1 2 249.362 1.871 20 0 BDADLO CC(C)(CO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275695 363767954 /nfs/dbraw/zinc/76/79/54/363767954.db2.gz MVDDDVHNXBBZHL-UHFFFAOYSA-N 1 2 233.271 1.291 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C(C)C)[nH]2)C1 ZINC000428967764 201056495 /nfs/dbraw/zinc/05/64/95/201056495.db2.gz YCVDNHRUGKGFER-AOOOYVTPSA-N 1 2 238.335 1.537 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C(C)C)[nH]2)C1 ZINC000428967764 201056497 /nfs/dbraw/zinc/05/64/97/201056497.db2.gz YCVDNHRUGKGFER-AOOOYVTPSA-N 1 2 238.335 1.537 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C[C@H](C)OC ZINC000428986473 201059096 /nfs/dbraw/zinc/05/90/96/201059096.db2.gz ZIQSAFCJYIENTG-JTQLQIEISA-N 1 2 240.351 1.785 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)C[C@H](C)OC ZINC000428986473 201059099 /nfs/dbraw/zinc/05/90/99/201059099.db2.gz ZIQSAFCJYIENTG-JTQLQIEISA-N 1 2 240.351 1.785 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)OC(C)(C)C ZINC000429116785 201067448 /nfs/dbraw/zinc/06/74/48/201067448.db2.gz OELPFLLKULOZRG-UWVGGRQHSA-N 1 2 229.320 1.173 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)OC(C)(C)C ZINC000429116785 201067450 /nfs/dbraw/zinc/06/74/50/201067450.db2.gz OELPFLLKULOZRG-UWVGGRQHSA-N 1 2 229.320 1.173 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nnc(C)o1 ZINC000429256851 201087108 /nfs/dbraw/zinc/08/71/08/201087108.db2.gz MAQSWQGCAZOSQB-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nnc(C)o1 ZINC000429256851 201087112 /nfs/dbraw/zinc/08/71/12/201087112.db2.gz MAQSWQGCAZOSQB-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCC3CC3)ccn12 ZINC000579370777 366772876 /nfs/dbraw/zinc/77/28/76/366772876.db2.gz QTNDILRGFKSSKE-UHFFFAOYSA-N 1 2 229.283 1.783 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CC(C)(C)C2)c[nH]c1=O ZINC000579370930 366772894 /nfs/dbraw/zinc/77/28/94/366772894.db2.gz DVWDDKVMHJZHMB-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO C[C@@H]1CC[C@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563532 201114688 /nfs/dbraw/zinc/11/46/88/201114688.db2.gz CKBIIYVBFDOJKB-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1CC[C@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563532 201114691 /nfs/dbraw/zinc/11/46/91/201114691.db2.gz CKBIIYVBFDOJKB-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000429572681 201118557 /nfs/dbraw/zinc/11/85/57/201118557.db2.gz WADWXYSWBGFUBH-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000429572681 201118561 /nfs/dbraw/zinc/11/85/61/201118561.db2.gz WADWXYSWBGFUBH-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@H+](CCCF)CCO1 ZINC000429636318 201123301 /nfs/dbraw/zinc/12/33/01/201123301.db2.gz UACXBBLHBYZXKD-JTQLQIEISA-N 1 2 215.268 1.026 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@@H+](CCCF)CCO1 ZINC000429636318 201123304 /nfs/dbraw/zinc/12/33/04/201123304.db2.gz UACXBBLHBYZXKD-JTQLQIEISA-N 1 2 215.268 1.026 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@@H]2CCOC2)no1 ZINC000429678561 201124239 /nfs/dbraw/zinc/12/42/39/201124239.db2.gz ASVJRAMHRHDORW-WPRPVWTQSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@@H]2CCOC2)no1 ZINC000429678561 201124242 /nfs/dbraw/zinc/12/42/42/201124242.db2.gz ASVJRAMHRHDORW-WPRPVWTQSA-N 1 2 225.292 1.407 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1noc(C)n1)[C@@H]1CCCO1 ZINC000429685121 201126322 /nfs/dbraw/zinc/12/63/22/201126322.db2.gz NWBRZBTZCJVOHU-MIMYLULJSA-N 1 2 239.319 1.986 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1ccn(C)n1 ZINC000181271602 366800541 /nfs/dbraw/zinc/80/05/41/366800541.db2.gz RICWWYVJHKDOEY-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO Cc1ccc(CCNc2cccnn2)[nH+]c1 ZINC000579447097 366802759 /nfs/dbraw/zinc/80/27/59/366802759.db2.gz CTEGCTRHAOMBBK-UHFFFAOYSA-N 1 2 214.272 1.257 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1(C)CC1 ZINC000429717322 201129698 /nfs/dbraw/zinc/12/96/98/201129698.db2.gz LMFNPVPCNPDFNL-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000579457153 366809653 /nfs/dbraw/zinc/80/96/53/366809653.db2.gz IAXCWMHTAZTIFI-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC2(CC2)CC1 ZINC000629643345 361530355 /nfs/dbraw/zinc/53/03/55/361530355.db2.gz RDLZSLSQRRTEOD-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2(CO)CCCC2)[nH+]1 ZINC000433775390 201193997 /nfs/dbraw/zinc/19/39/97/201193997.db2.gz QWVJMBKCFURIHK-UHFFFAOYSA-N 1 2 246.314 1.983 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCC2(CC2)CC1 ZINC000629643823 361531434 /nfs/dbraw/zinc/53/14/34/361531434.db2.gz LFEDXJYCARKLJL-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO COCC[N@H+](Cc1ncnn1C(C)C)C1CC1 ZINC000434486937 201220500 /nfs/dbraw/zinc/22/05/00/201220500.db2.gz UFWTYCIKILTNRG-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO COCC[N@@H+](Cc1ncnn1C(C)C)C1CC1 ZINC000434486937 201220502 /nfs/dbraw/zinc/22/05/02/201220502.db2.gz UFWTYCIKILTNRG-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000434484210 201222237 /nfs/dbraw/zinc/22/22/37/201222237.db2.gz XXKFKAVDNMLLKO-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000434484210 201222240 /nfs/dbraw/zinc/22/22/40/201222240.db2.gz XXKFKAVDNMLLKO-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO O[C@H](CNc1cc[nH+]c2ccncc12)C(F)F ZINC000435588972 201277443 /nfs/dbraw/zinc/27/74/43/201277443.db2.gz NRTQGYFEFAYFIM-SNVBAGLBSA-N 1 2 239.225 1.090 20 0 BDADLO OCCCCNc1ccc(-c2ccoc2)c[nH+]1 ZINC000629714415 361651170 /nfs/dbraw/zinc/65/11/70/361651170.db2.gz FTKLPAUQKLPUIB-UHFFFAOYSA-N 1 2 232.283 1.948 20 0 BDADLO Cc1nc(C[NH2+]Cc2cn[nH]c2)cs1 ZINC000038006089 361660182 /nfs/dbraw/zinc/66/01/82/361660182.db2.gz DLYWDLPKMDIXEE-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO OC1(C(F)(F)F)CC[NH+](Cc2cn[nH]c2)CC1 ZINC000310367795 491161199 /nfs/dbraw/zinc/16/11/99/491161199.db2.gz WAMMQHSFHLZLMY-UHFFFAOYSA-N 1 2 249.236 1.299 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC=C(F)C1 ZINC000613232781 361694589 /nfs/dbraw/zinc/69/45/89/361694589.db2.gz KQGREJJSKUNQAE-SECBINFHSA-N 1 2 249.289 1.600 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC=C(F)C1 ZINC000613232781 361694591 /nfs/dbraw/zinc/69/45/91/361694591.db2.gz KQGREJJSKUNQAE-SECBINFHSA-N 1 2 249.289 1.600 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cccnc1 ZINC000380175151 361695976 /nfs/dbraw/zinc/69/59/76/361695976.db2.gz NCKKRUUKYNHXDW-PLNGDYQASA-N 1 2 242.282 1.443 20 0 BDADLO c1cn(Cc2nncn2-c2ccccc2)c[nH+]1 ZINC000436204298 201314490 /nfs/dbraw/zinc/31/44/90/201314490.db2.gz AMGNYGPPBJRRJP-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@@H](C)O)[nH+]1 ZINC000436635908 201335304 /nfs/dbraw/zinc/33/53/04/201335304.db2.gz PGKKXPQYUQDDJI-SSDOTTSWSA-N 1 2 220.276 1.083 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450291273 201354224 /nfs/dbraw/zinc/35/42/24/201354224.db2.gz SPNPSZJUOXQOLQ-UHFFFAOYSA-N 1 2 241.360 1.884 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450291273 201354226 /nfs/dbraw/zinc/35/42/26/201354226.db2.gz SPNPSZJUOXQOLQ-UHFFFAOYSA-N 1 2 241.360 1.884 20 0 BDADLO CN(C)c1ccc(NCC[C@@H]2CCOC2)[nH+]c1 ZINC000438192275 201396695 /nfs/dbraw/zinc/39/66/95/201396695.db2.gz SCGRJBNUGBXCRY-LLVKDONJSA-N 1 2 235.331 1.408 20 0 BDADLO CCO[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000622081810 370697766 /nfs/dbraw/zinc/69/77/66/370697766.db2.gz CVXNZZOZVRQBBA-UWVGGRQHSA-N 1 2 239.319 1.505 20 0 BDADLO C/C=C\CNC(=O)NCCCNc1cccc[nH+]1 ZINC000623627536 363845038 /nfs/dbraw/zinc/84/50/38/363845038.db2.gz BVCRWBZTRIUKIN-IHWYPQMZSA-N 1 2 248.330 1.759 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1CSC1 ZINC000631277403 364028984 /nfs/dbraw/zinc/02/89/84/364028984.db2.gz YTUPYMWUYVYKPC-UHFFFAOYSA-N 1 2 239.344 1.143 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000170739479 364098602 /nfs/dbraw/zinc/09/86/02/364098602.db2.gz AAVAQCUKGSATOB-GFCCVEGCSA-N 1 2 242.363 1.213 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccncn1 ZINC000622083941 370699077 /nfs/dbraw/zinc/69/90/77/370699077.db2.gz OZZYVAPMKXMZPJ-SECBINFHSA-N 1 2 245.286 1.184 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnc[nH]1 ZINC000622083055 370699350 /nfs/dbraw/zinc/69/93/50/370699350.db2.gz XLERMOBIPRXSRJ-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CC12CC2 ZINC000622084225 370700836 /nfs/dbraw/zinc/70/08/36/370700836.db2.gz SFTZSVTZCPGLFB-ZJUUUORDSA-N 1 2 233.315 1.880 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)F ZINC000630399749 364127555 /nfs/dbraw/zinc/12/75/55/364127555.db2.gz DMYQBNRFFWWVSZ-SECBINFHSA-N 1 2 242.298 1.319 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1CC ZINC000452569336 202615486 /nfs/dbraw/zinc/61/54/86/202615486.db2.gz GHSYXTMZBMUPCP-NXEZZACHSA-N 1 2 221.304 1.565 20 0 BDADLO Fc1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000630598495 364314470 /nfs/dbraw/zinc/31/44/70/364314470.db2.gz USMRNFJUNUOMFC-LBPRGKRZSA-N 1 2 248.261 1.067 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000438574182 201414682 /nfs/dbraw/zinc/41/46/82/201414682.db2.gz CHFNSIXHIWBKLX-VWYCJHECSA-N 1 2 233.315 1.218 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)Cc1ccsc1 ZINC000061002068 364399586 /nfs/dbraw/zinc/39/95/86/364399586.db2.gz BMMLZCNOTPXQNA-UHFFFAOYSA-N 1 2 240.372 1.952 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000061002068 364399595 /nfs/dbraw/zinc/39/95/95/364399595.db2.gz BMMLZCNOTPXQNA-UHFFFAOYSA-N 1 2 240.372 1.952 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1cnoc1C ZINC000181652134 366835989 /nfs/dbraw/zinc/83/59/89/366835989.db2.gz SXMUTIJSDZTQTF-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cnoc1C ZINC000181652134 366835992 /nfs/dbraw/zinc/83/59/92/366835992.db2.gz SXMUTIJSDZTQTF-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO COC[C@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000181683943 366837876 /nfs/dbraw/zinc/83/78/76/366837876.db2.gz SJUSSGNOETYOBC-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO CCn1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000615158466 364549346 /nfs/dbraw/zinc/54/93/46/364549346.db2.gz PVJSKOFAPLVQNX-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615212895 364630390 /nfs/dbraw/zinc/63/03/90/364630390.db2.gz XAERPNBSMRAHIH-UWVGGRQHSA-N 1 2 233.315 1.526 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615212895 364630396 /nfs/dbraw/zinc/63/03/96/364630396.db2.gz XAERPNBSMRAHIH-UWVGGRQHSA-N 1 2 233.315 1.526 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615356742 364721121 /nfs/dbraw/zinc/72/11/21/364721121.db2.gz MAGPAHAKLIGXMN-SSDOTTSWSA-N 1 2 243.257 1.286 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615356742 364721124 /nfs/dbraw/zinc/72/11/24/364721124.db2.gz MAGPAHAKLIGXMN-SSDOTTSWSA-N 1 2 243.257 1.286 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000615358534 364726122 /nfs/dbraw/zinc/72/61/22/364726122.db2.gz LTEPIJWMPHDZFQ-GHMZBOCLSA-N 1 2 247.342 1.828 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1nccnc1C ZINC000573338204 364801888 /nfs/dbraw/zinc/80/18/88/364801888.db2.gz HCMBBKBEZPQHNY-UHFFFAOYSA-N 1 2 243.314 1.268 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H]1CCCOC1)C(=O)OCC ZINC000432899465 192969191 /nfs/dbraw/zinc/96/91/91/192969191.db2.gz CXVRJBYTYQBGOW-OPUZMVJGSA-N 1 2 241.331 1.653 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000572863390 364773450 /nfs/dbraw/zinc/77/34/50/364773450.db2.gz FCITWBRDRYMHHJ-NEPJUHHUSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000573501702 364847981 /nfs/dbraw/zinc/84/79/81/364847981.db2.gz PKHDTDLLHJFDKS-XYPYZODXSA-N 1 2 221.304 1.578 20 0 BDADLO CC(C)SCC(=O)NCc1c[nH+]cn1C ZINC000573531258 364852922 /nfs/dbraw/zinc/85/29/22/364852922.db2.gz QGTSBRMRTLEUKF-UHFFFAOYSA-N 1 2 227.333 1.178 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000573380694 364817039 /nfs/dbraw/zinc/81/70/39/364817039.db2.gz FCYYDWUNMXLOBC-SECBINFHSA-N 1 2 236.319 1.360 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H](F)C1 ZINC000573578140 364868825 /nfs/dbraw/zinc/86/88/25/364868825.db2.gz HLOUSZFFZJLECC-ZETCQYMHSA-N 1 2 226.255 1.006 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H](F)C1 ZINC000573578140 364868829 /nfs/dbraw/zinc/86/88/29/364868829.db2.gz HLOUSZFFZJLECC-ZETCQYMHSA-N 1 2 226.255 1.006 20 0 BDADLO CC(C)(C(=O)N1CCC[C@H](F)C1)c1c[nH+]c[nH]1 ZINC000573620174 364876463 /nfs/dbraw/zinc/87/64/63/364876463.db2.gz OFANYXGRJULBAD-VIFPVBQESA-N 1 2 239.294 1.648 20 0 BDADLO Cc1nsc(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000573694545 364894876 /nfs/dbraw/zinc/89/48/76/364894876.db2.gz FAUBWHYFSJLLTD-JTQLQIEISA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nsc(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000573694545 364894879 /nfs/dbraw/zinc/89/48/79/364894879.db2.gz FAUBWHYFSJLLTD-JTQLQIEISA-N 1 2 239.344 1.080 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC1(F)CCC1 ZINC000573714730 364901398 /nfs/dbraw/zinc/90/13/98/364901398.db2.gz AFVDPKXTPYCOFH-UHFFFAOYSA-N 1 2 239.294 1.361 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000191710696 541423022 /nfs/dbraw/zinc/42/30/22/541423022.db2.gz VJFDTGIWCJDJTC-GARJFASQSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015521 541424485 /nfs/dbraw/zinc/42/44/85/541424485.db2.gz XQVIUMNREMEPLH-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336596284 541428379 /nfs/dbraw/zinc/42/83/79/541428379.db2.gz HEZVWALWXXWLHI-SECBINFHSA-N 1 2 244.298 1.334 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336596284 541428383 /nfs/dbraw/zinc/42/83/83/541428383.db2.gz HEZVWALWXXWLHI-SECBINFHSA-N 1 2 244.298 1.334 20 0 BDADLO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1noc(C)n1 ZINC000574044251 364975365 /nfs/dbraw/zinc/97/53/65/364975365.db2.gz DBFVCCHDEGDXGB-SCZZXKLOSA-N 1 2 227.308 1.265 20 0 BDADLO O=C(NCCCF)NCCNc1cccc[nH+]1 ZINC000574381149 365048349 /nfs/dbraw/zinc/04/83/49/365048349.db2.gz YJCQFXLOPATHNW-UHFFFAOYSA-N 1 2 240.282 1.152 20 0 BDADLO COC[C@@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574576137 365095011 /nfs/dbraw/zinc/09/50/11/365095011.db2.gz IJJQWRKRDFYITN-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CO[C@H](C)C2)c(C)c[nH+]1 ZINC000574689868 365120504 /nfs/dbraw/zinc/12/05/04/365120504.db2.gz XGBDPGOCXUPISR-GHMZBOCLSA-N 1 2 249.314 1.419 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CO[C@@H](C)C2)c(C)c[nH+]1 ZINC000574689870 365121268 /nfs/dbraw/zinc/12/12/68/365121268.db2.gz XGBDPGOCXUPISR-QWRGUYRKSA-N 1 2 249.314 1.419 20 0 BDADLO CCC(CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574694715 365123571 /nfs/dbraw/zinc/12/35/71/365123571.db2.gz WTASLXAGBCFMAM-GFCCVEGCSA-N 1 2 249.358 1.998 20 0 BDADLO CCOCC[N@H+](CC)Cc1cc(C(C)=O)no1 ZINC000574700764 365124602 /nfs/dbraw/zinc/12/46/02/365124602.db2.gz JDPNBNQPTLSHTG-UHFFFAOYSA-N 1 2 240.303 1.736 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cc(C(C)=O)no1 ZINC000574700764 365124608 /nfs/dbraw/zinc/12/46/08/365124608.db2.gz JDPNBNQPTLSHTG-UHFFFAOYSA-N 1 2 240.303 1.736 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000443999818 193033280 /nfs/dbraw/zinc/03/32/80/193033280.db2.gz DUHSCGKKTCWMKA-WCBMZHEXSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000443999818 193033283 /nfs/dbraw/zinc/03/32/83/193033283.db2.gz DUHSCGKKTCWMKA-WCBMZHEXSA-N 1 2 235.335 1.268 20 0 BDADLO C[C@]1(CNc2cc[nH+]c3ccncc23)CCOC1 ZINC000444092338 193033947 /nfs/dbraw/zinc/03/39/47/193033947.db2.gz SVPWJBHCTXOKBY-CQSZACIVSA-N 1 2 243.310 1.890 20 0 BDADLO C[C@@]1(CNc2cc[nH+]c3ccncc23)CCOC1 ZINC000444092337 193034012 /nfs/dbraw/zinc/03/40/12/193034012.db2.gz SVPWJBHCTXOKBY-AWEZNQCLSA-N 1 2 243.310 1.890 20 0 BDADLO C[C@H](CN=c1nc(-c2ccccc2)o[nH]1)[NH+](C)C ZINC000443453431 193022679 /nfs/dbraw/zinc/02/26/79/193022679.db2.gz MAXMCFZMVGJNJM-SNVBAGLBSA-N 1 2 246.314 1.521 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(O)c1 ZINC000622273921 370814054 /nfs/dbraw/zinc/81/40/54/370814054.db2.gz MHMWJGZADNVRHF-SECBINFHSA-N 1 2 245.282 1.933 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(O)c1 ZINC000622273921 370814057 /nfs/dbraw/zinc/81/40/57/370814057.db2.gz MHMWJGZADNVRHF-SECBINFHSA-N 1 2 245.282 1.933 20 0 BDADLO CCn1nncc1CNc1ccc(C)[nH+]c1 ZINC000575234759 365260304 /nfs/dbraw/zinc/26/03/04/365260304.db2.gz ZWTRZQHWMRNCJV-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000171964609 365264302 /nfs/dbraw/zinc/26/43/02/365264302.db2.gz WIKMPYOPVCFHKA-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000171964609 365264304 /nfs/dbraw/zinc/26/43/04/365264304.db2.gz WIKMPYOPVCFHKA-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000171990623 365265907 /nfs/dbraw/zinc/26/59/07/365265907.db2.gz LVWRGKZRFWYQOA-UHFFFAOYSA-N 1 2 248.317 1.880 20 0 BDADLO O=C(C1CC[NH+](CC(F)F)CC1)N1CCCC1 ZINC000171990269 365266450 /nfs/dbraw/zinc/26/64/50/365266450.db2.gz SLHPBYOMZARPBO-UHFFFAOYSA-N 1 2 246.301 1.586 20 0 BDADLO CCCC[N@H+](CCCO)Cc1noc(C)n1 ZINC000182139337 366870287 /nfs/dbraw/zinc/87/02/87/366870287.db2.gz QOMRIRVXKILBEZ-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO CCCC[N@@H+](CCCO)Cc1noc(C)n1 ZINC000182139337 366870295 /nfs/dbraw/zinc/87/02/95/366870295.db2.gz QOMRIRVXKILBEZ-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000575928046 365418224 /nfs/dbraw/zinc/41/82/24/365418224.db2.gz NKHPSBOCPCFAFC-ADEWGFFLSA-N 1 2 248.330 1.369 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)no1 ZINC000172957709 365391638 /nfs/dbraw/zinc/39/16/38/365391638.db2.gz CZZCUSPBTRMSBQ-DTORHVGOSA-N 1 2 207.277 1.466 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)no1 ZINC000172957709 365391641 /nfs/dbraw/zinc/39/16/41/365391641.db2.gz CZZCUSPBTRMSBQ-DTORHVGOSA-N 1 2 207.277 1.466 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000579598181 366899086 /nfs/dbraw/zinc/89/90/86/366899086.db2.gz UJEJOWXFWPVTGC-SNVBAGLBSA-N 1 2 239.344 1.457 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000579598181 366899091 /nfs/dbraw/zinc/89/90/91/366899091.db2.gz UJEJOWXFWPVTGC-SNVBAGLBSA-N 1 2 239.344 1.457 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579610036 366907895 /nfs/dbraw/zinc/90/78/95/366907895.db2.gz PLLLAQKKNIWNEM-OPRDCNLKSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579610036 366907898 /nfs/dbraw/zinc/90/78/98/366907898.db2.gz PLLLAQKKNIWNEM-OPRDCNLKSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@H]1CCN(c2cc(C)[nH+]cn2)[C@@H](C)C1 ZINC000440666866 201501217 /nfs/dbraw/zinc/50/12/17/201501217.db2.gz HTAUUPANWFBKAH-QWRGUYRKSA-N 1 2 221.304 1.789 20 0 BDADLO CCCCOCCNc1nc(C)[nH+]cc1C ZINC000579859387 367055420 /nfs/dbraw/zinc/05/54/20/367055420.db2.gz QHBXAPCGZXNQQI-UHFFFAOYSA-N 1 2 223.320 1.744 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCOC(C)C)[C@@H](C)CC ZINC000183575036 367030471 /nfs/dbraw/zinc/03/04/71/367030471.db2.gz MKUBQMIGCBVQPV-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CCCC[C@@H](C(=O)OC)[NH+]1CC(O)(C2CC2)C1 ZINC000368474811 367108434 /nfs/dbraw/zinc/10/84/34/367108434.db2.gz PTEZBPVGBDEUCM-NSHDSACASA-N 1 2 241.331 1.175 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H](CC(N)=O)C1 ZINC000580805557 367170956 /nfs/dbraw/zinc/17/09/56/367170956.db2.gz YUNOKVNBYPVHPI-NSHDSACASA-N 1 2 248.330 1.185 20 0 BDADLO Cc1cc(N)nc(SCc2ncccc2O)[nH+]1 ZINC000580812408 367174092 /nfs/dbraw/zinc/17/40/92/367174092.db2.gz SQRCQENDYWMCHE-UHFFFAOYSA-N 1 2 248.311 1.590 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC1CC(O)C1 ZINC000580844671 367187275 /nfs/dbraw/zinc/18/72/75/367187275.db2.gz SQFSNCVEPYFCOX-UHFFFAOYSA-N 1 2 221.304 1.301 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCn1cccc1 ZINC000081023482 370842337 /nfs/dbraw/zinc/84/23/37/370842337.db2.gz ONGVDUKZRXKMLK-UHFFFAOYSA-N 1 2 245.282 1.921 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cnn(C)c1C ZINC000581169973 367280861 /nfs/dbraw/zinc/28/08/61/367280861.db2.gz GAMDINZOSAWIRE-NSHDSACASA-N 1 2 239.319 1.112 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cnn(C)c1C ZINC000581169973 367280865 /nfs/dbraw/zinc/28/08/65/367280865.db2.gz GAMDINZOSAWIRE-NSHDSACASA-N 1 2 239.319 1.112 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cnn(C)c1C ZINC000581169972 367281252 /nfs/dbraw/zinc/28/12/52/367281252.db2.gz GAMDINZOSAWIRE-LLVKDONJSA-N 1 2 239.319 1.112 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cnn(C)c1C ZINC000581169972 367281260 /nfs/dbraw/zinc/28/12/60/367281260.db2.gz GAMDINZOSAWIRE-LLVKDONJSA-N 1 2 239.319 1.112 20 0 BDADLO Cn1c(CNc2c[nH]c[nH+]2)nc2ccccc21 ZINC000581050250 367245455 /nfs/dbraw/zinc/24/54/55/367245455.db2.gz KXRUCXZLWPFUEX-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccn(C)c1 ZINC000581079955 367257080 /nfs/dbraw/zinc/25/70/80/367257080.db2.gz IXFZAXFVQPCMDH-JTQLQIEISA-N 1 2 246.314 1.243 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccn(C)c1 ZINC000581079955 367257092 /nfs/dbraw/zinc/25/70/92/367257092.db2.gz IXFZAXFVQPCMDH-JTQLQIEISA-N 1 2 246.314 1.243 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2nnc(C)s2)cn1 ZINC000381364888 367388576 /nfs/dbraw/zinc/38/85/76/367388576.db2.gz GPRKHZNWVKHDPO-UHFFFAOYSA-N 1 2 235.316 1.433 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCO)C1CCCCC1 ZINC000381492814 367419006 /nfs/dbraw/zinc/41/90/06/367419006.db2.gz YTNSTLDTFKOOHT-NSHDSACASA-N 1 2 229.320 1.080 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)C1(S(C)(=O)=O)CC1 ZINC000381234366 367367654 /nfs/dbraw/zinc/36/76/54/367367654.db2.gz LOPJMFLAAGOIIF-VIFPVBQESA-N 1 2 240.328 1.459 20 0 BDADLO Oc1cccnc1C[N@H+](C1CC1)C1COC1 ZINC000581469251 367499412 /nfs/dbraw/zinc/49/94/12/367499412.db2.gz VSAIYTHACQOQSS-UHFFFAOYSA-N 1 2 220.272 1.150 20 0 BDADLO Oc1cccnc1C[N@@H+](C1CC1)C1COC1 ZINC000581469251 367499415 /nfs/dbraw/zinc/49/94/15/367499415.db2.gz VSAIYTHACQOQSS-UHFFFAOYSA-N 1 2 220.272 1.150 20 0 BDADLO OCc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000305860293 325941788 /nfs/dbraw/zinc/94/17/88/325941788.db2.gz XVSVJMLSYDZNAS-UHFFFAOYSA-N 1 2 218.256 1.619 20 0 BDADLO COc1ccc[nH+]c1NCCCNC(C)=O ZINC000383466392 367624363 /nfs/dbraw/zinc/62/43/63/367624363.db2.gz JBSSUDDEXULHMI-UHFFFAOYSA-N 1 2 223.276 1.028 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000383274690 367611280 /nfs/dbraw/zinc/61/12/80/367611280.db2.gz HSDAMAJNEVRIPQ-LDYMZIIASA-N 1 2 231.303 1.710 20 0 BDADLO CCOC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581617647 367638479 /nfs/dbraw/zinc/63/84/79/367638479.db2.gz YGJMKLHDFNAVLH-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CCOC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581617647 367638483 /nfs/dbraw/zinc/63/84/83/367638483.db2.gz YGJMKLHDFNAVLH-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC(F)(F)C1 ZINC000383566984 367640516 /nfs/dbraw/zinc/64/05/16/367640516.db2.gz VULDCDIGXIVDHI-UHFFFAOYSA-N 1 2 229.230 1.413 20 0 BDADLO CS[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581675268 367704522 /nfs/dbraw/zinc/70/45/22/367704522.db2.gz MTSFNSRUADBALZ-RKDXNWHRSA-N 1 2 241.360 1.456 20 0 BDADLO CS[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581675268 367704531 /nfs/dbraw/zinc/70/45/31/367704531.db2.gz MTSFNSRUADBALZ-RKDXNWHRSA-N 1 2 241.360 1.456 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCn2nncc2C1 ZINC000581675438 367704973 /nfs/dbraw/zinc/70/49/73/367704973.db2.gz SMKDFRFUBHREEY-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCn2nncc2C1 ZINC000581675438 367704975 /nfs/dbraw/zinc/70/49/75/367704975.db2.gz SMKDFRFUBHREEY-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000384329922 367685940 /nfs/dbraw/zinc/68/59/40/367685940.db2.gz UCLATSHBPAMHAD-WCABBAIRSA-N 1 2 229.320 1.341 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccsn1 ZINC000622361695 370868163 /nfs/dbraw/zinc/86/81/63/370868163.db2.gz RGSMMUJAARDDCY-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO CCC[C@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361334 370868248 /nfs/dbraw/zinc/86/82/48/370868248.db2.gz CANGQPGYHDJXRW-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)nc[nH+]1 ZINC000385050575 367778795 /nfs/dbraw/zinc/77/87/95/367778795.db2.gz BQCJZFOCXYPNBZ-IVZWLZJFSA-N 1 2 207.277 1.763 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnns1 ZINC000581735466 367799837 /nfs/dbraw/zinc/79/98/37/367799837.db2.gz QSUOXVADRSQNRQ-ZCFIWIBFSA-N 1 2 237.288 1.079 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnns1 ZINC000581735466 367799838 /nfs/dbraw/zinc/79/98/38/367799838.db2.gz QSUOXVADRSQNRQ-ZCFIWIBFSA-N 1 2 237.288 1.079 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000581862583 367851525 /nfs/dbraw/zinc/85/15/25/367851525.db2.gz JNBODYQYOCZPQG-SFYZADRCSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000581862583 367851530 /nfs/dbraw/zinc/85/15/30/367851530.db2.gz JNBODYQYOCZPQG-SFYZADRCSA-N 1 2 227.333 1.456 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ccc2nccnc2n1 ZINC000581920608 367912707 /nfs/dbraw/zinc/91/27/07/367912707.db2.gz HCPDVSGLLJWCDM-UHFFFAOYSA-N 1 2 240.270 1.384 20 0 BDADLO CSc1ccnc(NCCn2cc[nH+]c2)n1 ZINC000386651873 368006451 /nfs/dbraw/zinc/00/64/51/368006451.db2.gz QNNCQHDEGYLGFI-UHFFFAOYSA-N 1 2 235.316 1.507 20 0 BDADLO C[C@H](CC(=O)NCC(F)(F)F)n1cc[nH+]c1 ZINC000582006490 368129783 /nfs/dbraw/zinc/12/97/83/368129783.db2.gz LDSGGHOTPOIBIH-SSDOTTSWSA-N 1 2 235.209 1.513 20 0 BDADLO Cc1cnn(C)c1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956175 368149309 /nfs/dbraw/zinc/14/93/09/368149309.db2.gz OXGWAYWMNPNEAW-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO C[C@H](O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000582011624 368151732 /nfs/dbraw/zinc/15/17/32/368151732.db2.gz JBRKDZSYKJBMML-JTQLQIEISA-N 1 2 234.299 1.212 20 0 BDADLO C[C@H](O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000582011624 368151739 /nfs/dbraw/zinc/15/17/39/368151739.db2.gz JBRKDZSYKJBMML-JTQLQIEISA-N 1 2 234.299 1.212 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2cn[nH]c2)c1 ZINC000630957135 368154088 /nfs/dbraw/zinc/15/40/88/368154088.db2.gz MOCMZLKBLAZZMG-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000615709834 368217650 /nfs/dbraw/zinc/21/76/50/368217650.db2.gz JJOCVXAOQVKHBG-URLYPYJESA-N 1 2 233.315 1.565 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000043626892 368404487 /nfs/dbraw/zinc/40/44/87/368404487.db2.gz KUICOAYFIOEXDR-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000043626892 368404494 /nfs/dbraw/zinc/40/44/94/368404494.db2.gz KUICOAYFIOEXDR-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC(C)N(C(=O)C[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC000046774166 368449557 /nfs/dbraw/zinc/44/95/57/368449557.db2.gz YFLBWAWDZCEQEF-LBPRGKRZSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C(=O)C[N@H+]1CCOC[C@@H]1C)C(C)C ZINC000046774166 368449560 /nfs/dbraw/zinc/44/95/60/368449560.db2.gz YFLBWAWDZCEQEF-LBPRGKRZSA-N 1 2 242.363 1.353 20 0 BDADLO CSCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000615822039 368451773 /nfs/dbraw/zinc/45/17/73/368451773.db2.gz GYLNIDXBZGYFAA-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CSCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000615822039 368451781 /nfs/dbraw/zinc/45/17/81/368451781.db2.gz GYLNIDXBZGYFAA-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)C2CC2)cc1 ZINC000046060180 368435991 /nfs/dbraw/zinc/43/59/91/368435991.db2.gz LUCMSSCOWOLMSP-UHFFFAOYSA-N 1 2 246.310 1.922 20 0 BDADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)C2CC2)cc1 ZINC000046060180 368435997 /nfs/dbraw/zinc/43/59/97/368435997.db2.gz LUCMSSCOWOLMSP-UHFFFAOYSA-N 1 2 246.310 1.922 20 0 BDADLO CN(Cc1ccco1)Cc1[nH+]ccn1C ZINC000057592589 368494452 /nfs/dbraw/zinc/49/44/52/368494452.db2.gz FIEXJFGVGZMORI-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO O=C(CC1CCCC1)NCC[NH+]1CCOCC1 ZINC000058100970 368507040 /nfs/dbraw/zinc/50/70/40/368507040.db2.gz RTMVJFRRNRSMCY-UHFFFAOYSA-N 1 2 240.347 1.015 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)CC[S@](C)=O ZINC000566985651 326100733 /nfs/dbraw/zinc/10/07/33/326100733.db2.gz SAZOHGVJICVLSB-FVMDXXJSSA-N 1 2 241.360 1.084 20 0 BDADLO CC(C)OCC(=O)NCCNc1cccc[nH+]1 ZINC000063703830 368591355 /nfs/dbraw/zinc/59/13/55/368591355.db2.gz BBPFHKHTGVUYCP-UHFFFAOYSA-N 1 2 237.303 1.035 20 0 BDADLO Cc1ccoc1C(=O)NCCNc1cccc[nH+]1 ZINC000063706156 368592136 /nfs/dbraw/zinc/59/21/36/368592136.db2.gz WYRCDLKAPOBBTA-UHFFFAOYSA-N 1 2 245.282 1.825 20 0 BDADLO Cc1ncccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000622405548 370901318 /nfs/dbraw/zinc/90/13/18/370901318.db2.gz YWYPOQBWULGBLW-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ccno2)cn1 ZINC000567167342 326127646 /nfs/dbraw/zinc/12/76/46/326127646.db2.gz PDRUEINUFZNPLA-UHFFFAOYSA-N 1 2 218.260 1.317 20 0 BDADLO O=C(C[NH2+]Cc1cc[nH]n1)Nc1cccc(F)c1 ZINC000066991351 368672941 /nfs/dbraw/zinc/67/29/41/368672941.db2.gz PYQVVEGAEPXXDV-UHFFFAOYSA-N 1 2 248.261 1.277 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cc[nH]c1 ZINC000068434419 368725791 /nfs/dbraw/zinc/72/57/91/368725791.db2.gz UOQQBAAOTOYYGI-UHFFFAOYSA-N 1 2 201.229 1.970 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H](C1CC1)C1CCC1 ZINC000457235337 203024465 /nfs/dbraw/zinc/02/44/65/203024465.db2.gz IDPKCASJWNVCNF-AWEZNQCLSA-N 1 2 247.342 1.968 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1cscn1 ZINC000259705092 370933547 /nfs/dbraw/zinc/93/35/47/370933547.db2.gz OHYSRWILOLEYBB-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1cscn1 ZINC000259705092 370933553 /nfs/dbraw/zinc/93/35/53/370933553.db2.gz OHYSRWILOLEYBB-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1C(C)(C)C1(C)C ZINC000073376742 368802973 /nfs/dbraw/zinc/80/29/73/368802973.db2.gz SPBUGIJMLDOJFL-UHFFFAOYSA-N 1 2 235.331 1.719 20 0 BDADLO CC1(C)CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000073991939 368825070 /nfs/dbraw/zinc/82/50/70/368825070.db2.gz HHFHPXRQZGSVAV-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC000072873336 368782306 /nfs/dbraw/zinc/78/23/06/368782306.db2.gz DBMVGKBCTXCQIE-OCAPTIKFSA-N 1 2 240.332 1.064 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC000072873336 368782312 /nfs/dbraw/zinc/78/23/12/368782312.db2.gz DBMVGKBCTXCQIE-OCAPTIKFSA-N 1 2 240.332 1.064 20 0 BDADLO COCCN(CC(C)C)C(=O)Cn1cc[nH+]c1 ZINC000072884943 368783516 /nfs/dbraw/zinc/78/35/16/368783516.db2.gz LSWHADNLCKOYGS-UHFFFAOYSA-N 1 2 239.319 1.014 20 0 BDADLO CC(C)(C(=O)NCC1CSC1)c1c[nH]c[nH+]1 ZINC000616051945 368918238 /nfs/dbraw/zinc/91/82/38/368918238.db2.gz UZIIBSNTMSKYLH-UHFFFAOYSA-N 1 2 239.344 1.167 20 0 BDADLO CC(C)c1nc(NCC[C@@H](C)O)cc[nH+]1 ZINC000114710039 368947553 /nfs/dbraw/zinc/94/75/53/368947553.db2.gz PHZXPBVRXQXPGK-SECBINFHSA-N 1 2 209.293 1.783 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(C)(C)C ZINC000616111047 368958130 /nfs/dbraw/zinc/95/81/30/368958130.db2.gz AILJKOOZUOTNBE-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO CN(CC1=CCCOC1)C(=O)CCn1cc[nH+]c1 ZINC000618380009 369131783 /nfs/dbraw/zinc/13/17/83/369131783.db2.gz UXKHRGASRFXBFE-UHFFFAOYSA-N 1 2 249.314 1.078 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457846938 203112478 /nfs/dbraw/zinc/11/24/78/203112478.db2.gz CKZZDZIUVHPODV-OCCSQVGLSA-N 1 2 249.358 1.761 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854423 203112779 /nfs/dbraw/zinc/11/27/79/203112779.db2.gz KHVRTWKIEFVOEF-RYUDHWBXSA-N 1 2 235.331 1.371 20 0 BDADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)C(C)(C)C ZINC000457859804 203112955 /nfs/dbraw/zinc/11/29/55/203112955.db2.gz OLXZRLXGBRSJIW-JTQLQIEISA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)(C(=O)NCCc1ccoc1)c1c[nH]c[nH+]1 ZINC000618474895 369153002 /nfs/dbraw/zinc/15/30/02/369153002.db2.gz YAORRAXKEVCYED-UHFFFAOYSA-N 1 2 247.298 1.639 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618496179 369158109 /nfs/dbraw/zinc/15/81/09/369158109.db2.gz GBJLUAHJSIQUDM-SDDRHHMPSA-N 1 2 233.315 1.436 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCC2CCC2)c1 ZINC000457823475 203107152 /nfs/dbraw/zinc/10/71/52/203107152.db2.gz KFSJBFZEZUJGMS-UHFFFAOYSA-N 1 2 236.319 1.062 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457846939 203111278 /nfs/dbraw/zinc/11/12/78/203111278.db2.gz CKZZDZIUVHPODV-TZMCWYRMSA-N 1 2 249.358 1.761 20 0 BDADLO CCn1ncc(C)c1NC(=O)Cc1c[nH+]cn1C ZINC000618440261 369146436 /nfs/dbraw/zinc/14/64/36/369146436.db2.gz UQLUUERWTDCEAM-UHFFFAOYSA-N 1 2 247.302 1.126 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457870636 203115699 /nfs/dbraw/zinc/11/56/99/203115699.db2.gz MPJWHTLZFYPVEQ-ZYHUDNBSSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457872203 203115906 /nfs/dbraw/zinc/11/59/06/203115906.db2.gz NSJMRDAYKRWBAR-RISCZKNCSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000618503967 369161001 /nfs/dbraw/zinc/16/10/01/369161001.db2.gz BIQQKTOQDZIESS-GARJFASQSA-N 1 2 233.315 1.884 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000458178369 203143528 /nfs/dbraw/zinc/14/35/28/203143528.db2.gz FGJAULGNZGWTHN-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000458128625 203137776 /nfs/dbraw/zinc/13/77/76/203137776.db2.gz MUOXDNNAZWONMM-JSGCOSHPSA-N 1 2 249.358 1.904 20 0 BDADLO COCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619011565 369257165 /nfs/dbraw/zinc/25/71/65/369257165.db2.gz WASATQOWGICTST-UHFFFAOYSA-N 1 2 219.244 1.228 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)CCO1 ZINC000459280498 203246184 /nfs/dbraw/zinc/24/61/84/203246184.db2.gz NCOCOTWANKWGJO-SECBINFHSA-N 1 2 249.314 1.280 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCc1cn[nH]c1)C(=O)OC ZINC000459402494 203273357 /nfs/dbraw/zinc/27/33/57/203273357.db2.gz JTOSMCAPFAFOPT-MWLCHTKSSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@@H](C)O1 ZINC000459352869 203265217 /nfs/dbraw/zinc/26/52/17/203265217.db2.gz WLBIJEMQNORPMV-ZYHUDNBSSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnnn2CC)C[C@@H](C)O1 ZINC000459352869 203265222 /nfs/dbraw/zinc/26/52/22/203265222.db2.gz WLBIJEMQNORPMV-ZYHUDNBSSA-N 1 2 238.335 1.297 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000459478358 203286783 /nfs/dbraw/zinc/28/67/83/203286783.db2.gz ICAIOVWCVIJPDQ-TXEJJXNPSA-N 1 2 249.314 1.501 20 0 BDADLO COC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459519123 203296593 /nfs/dbraw/zinc/29/65/93/203296593.db2.gz CBQAWCNORVAELS-LBPRGKRZSA-N 1 2 243.347 1.326 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000623679844 369381638 /nfs/dbraw/zinc/38/16/38/369381638.db2.gz LYJHSQWPBBNBCG-UHFFFAOYSA-N 1 2 248.298 1.982 20 0 BDADLO CC[C@](COC)([NH2+]CC1CCC1)C(=O)OC ZINC000459591291 203308535 /nfs/dbraw/zinc/30/85/35/203308535.db2.gz NVLLUHHLMKHMBJ-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO CCOc1cccc(C[NH+]2CC(OC)C2)c1 ZINC000459573750 203303355 /nfs/dbraw/zinc/30/33/55/203303355.db2.gz CADXJFCPEVOZRN-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCc1cnc(C[NH+]2CC(C)(CO)C2)s1 ZINC000459616958 203316627 /nfs/dbraw/zinc/31/66/27/203316627.db2.gz AFMZPLDSPWOAGY-UHFFFAOYSA-N 1 2 226.345 1.520 20 0 BDADLO CCCc1csc(C[NH+]2CC(C)(CO)C2)n1 ZINC000459621828 203319148 /nfs/dbraw/zinc/31/91/48/203319148.db2.gz OHXRCOHZLSGYSK-UHFFFAOYSA-N 1 2 240.372 1.910 20 0 BDADLO CCCn1cc(C[NH+]2CC(C)(OCC)C2)cn1 ZINC000459619102 203319339 /nfs/dbraw/zinc/31/93/39/203319339.db2.gz KDPKAWKLQZRBME-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)OC)[C@@H](CC)CO1 ZINC000404113572 369419727 /nfs/dbraw/zinc/41/97/27/369419727.db2.gz WNNFKFDEBPLWRR-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)OC)[C@@H](CC)CO1 ZINC000404113572 369419730 /nfs/dbraw/zinc/41/97/30/369419730.db2.gz WNNFKFDEBPLWRR-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO OCCOCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459746177 203350973 /nfs/dbraw/zinc/35/09/73/203350973.db2.gz ZAMUTIXOZPIVEI-UHFFFAOYSA-N 1 2 225.263 1.150 20 0 BDADLO OCCOCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459746177 203350975 /nfs/dbraw/zinc/35/09/75/203350975.db2.gz ZAMUTIXOZPIVEI-UHFFFAOYSA-N 1 2 225.263 1.150 20 0 BDADLO C[C@@H]1CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000619662877 369515997 /nfs/dbraw/zinc/51/59/97/369515997.db2.gz KDBWUNFOAOWFQN-LLVKDONJSA-N 1 2 248.330 1.687 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1cccc2cnccc21 ZINC000061125496 369604808 /nfs/dbraw/zinc/60/48/08/369604808.db2.gz ZXIDZCBDQCBUFP-SNVBAGLBSA-N 1 2 244.294 1.886 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000620002990 369658426 /nfs/dbraw/zinc/65/84/26/369658426.db2.gz NLJWTWIDWSZJIS-GFCCVEGCSA-N 1 2 245.326 1.672 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620075075 369708830 /nfs/dbraw/zinc/70/88/30/369708830.db2.gz PCZJYAMQKCKNFO-LKFCYVNXSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620075075 369708834 /nfs/dbraw/zinc/70/88/34/369708834.db2.gz PCZJYAMQKCKNFO-LKFCYVNXSA-N 1 2 247.342 1.819 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC1(C)C ZINC000620076210 369711046 /nfs/dbraw/zinc/71/10/46/369711046.db2.gz MDOZBZILTXFELA-CYBMUJFWSA-N 1 2 235.331 1.658 20 0 BDADLO CC(C)CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000620283933 369800056 /nfs/dbraw/zinc/80/00/56/369800056.db2.gz KEBQUQXWOPJJQA-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000620283933 369800060 /nfs/dbraw/zinc/80/00/60/369800060.db2.gz KEBQUQXWOPJJQA-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCc1ccco1 ZINC000620362109 369851544 /nfs/dbraw/zinc/85/15/44/369851544.db2.gz DVTANHKYRWGPNZ-UHFFFAOYSA-N 1 2 233.271 1.225 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCCc1ccco1 ZINC000620365935 369854962 /nfs/dbraw/zinc/85/49/62/369854962.db2.gz YJSMFCOYIPVCJH-UHFFFAOYSA-N 1 2 247.298 1.684 20 0 BDADLO COC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620599196 369948884 /nfs/dbraw/zinc/94/88/84/369948884.db2.gz DEJIJHFQZKPNTH-QMMMGPOBSA-N 1 2 225.292 1.022 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620598066 369949008 /nfs/dbraw/zinc/94/90/08/369949008.db2.gz XIWHQBDOXCSTGC-JTQLQIEISA-N 1 2 237.303 1.357 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cn1 ZINC000620598064 369949164 /nfs/dbraw/zinc/94/91/64/369949164.db2.gz XIOPHMLXGUNYIO-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](NC(=O)Cc1ccco1)c1[nH+]ccn1C ZINC000620604051 369951971 /nfs/dbraw/zinc/95/19/71/369951971.db2.gz PTIWBPGALMQUMW-VIFPVBQESA-N 1 2 233.271 1.433 20 0 BDADLO CCC[C@@H](O)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605093 369953256 /nfs/dbraw/zinc/95/32/56/369953256.db2.gz YXCSJMNWSSOUDW-NXEZZACHSA-N 1 2 239.319 1.148 20 0 BDADLO C[C@@H](NC(=O)CC(C)(F)F)c1[nH+]ccn1C ZINC000620605388 369953444 /nfs/dbraw/zinc/95/34/44/369953444.db2.gz CFMABCYLALZDIO-SSDOTTSWSA-N 1 2 231.246 1.643 20 0 BDADLO Cc1ccoc1CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620609153 369956832 /nfs/dbraw/zinc/95/68/32/369956832.db2.gz BOAWQWDJIJISKP-SNVBAGLBSA-N 1 2 247.298 1.741 20 0 BDADLO C[C@H](NC(=O)C1(CCF)CC1)c1[nH+]ccn1C ZINC000620607958 369957008 /nfs/dbraw/zinc/95/70/08/369957008.db2.gz KWKAAHOSNIXIIC-VIFPVBQESA-N 1 2 239.294 1.737 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C)(C)C1 ZINC000620736146 369984066 /nfs/dbraw/zinc/98/40/66/369984066.db2.gz TXOPYOCIZNXBKJ-VIFPVBQESA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C)(C)C1 ZINC000620736146 369984069 /nfs/dbraw/zinc/98/40/69/369984069.db2.gz TXOPYOCIZNXBKJ-VIFPVBQESA-N 1 2 235.331 1.893 20 0 BDADLO CC1(C)CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000620736433 369984239 /nfs/dbraw/zinc/98/42/39/369984239.db2.gz ZQVPKBKFPBXCRZ-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO CN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000620950167 370064781 /nfs/dbraw/zinc/06/47/81/370064781.db2.gz WKZAPQFGSWGYKE-UHFFFAOYSA-N 1 2 233.315 1.273 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+]Cc2noc(C)n2)C12CCC2 ZINC000308399655 370134054 /nfs/dbraw/zinc/13/40/54/370134054.db2.gz VLZAFXQYMNQWTH-VHSXEESVSA-N 1 2 237.303 1.425 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621297869 370226202 /nfs/dbraw/zinc/22/62/02/370226202.db2.gz BDQOKLJSINEYQE-LLVKDONJSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cncc(Cl)c1 ZINC000621297869 370226207 /nfs/dbraw/zinc/22/62/07/370226207.db2.gz BDQOKLJSINEYQE-LLVKDONJSA-N 1 2 226.707 1.956 20 0 BDADLO COc1ccc(F)c(C[NH2+]Cc2ncc[nH]2)c1 ZINC000621374954 370316626 /nfs/dbraw/zinc/31/66/26/370316626.db2.gz GOTBDOWHENPSQP-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO COc1ccc(F)c(CNCc2[nH]cc[nH+]2)c1 ZINC000621374954 370316628 /nfs/dbraw/zinc/31/66/28/370316628.db2.gz GOTBDOWHENPSQP-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO Cc1nc(NCC[C@@H]2CC2(F)F)cc[nH+]1 ZINC000621345284 370278713 /nfs/dbraw/zinc/27/87/13/370278713.db2.gz HZQJBFUJYNLRME-MRVPVSSYSA-N 1 2 213.231 1.664 20 0 BDADLO CCc1cc(NCC[C@@H]2CC2(F)F)nc[nH+]1 ZINC000621345369 370278821 /nfs/dbraw/zinc/27/88/21/370278821.db2.gz KBKYSRGGWFLWJF-MRVPVSSYSA-N 1 2 227.258 1.918 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000076403366 370280617 /nfs/dbraw/zinc/28/06/17/370280617.db2.gz APCQJNQODJRHRE-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000076403366 370280619 /nfs/dbraw/zinc/28/06/19/370280619.db2.gz APCQJNQODJRHRE-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1CO ZINC000621347730 370282334 /nfs/dbraw/zinc/28/23/34/370282334.db2.gz KVPALSLGURFWNX-CMPLNLGQSA-N 1 2 247.342 1.809 20 0 BDADLO CCc1cc(N[C@@H]2CCN(C(C)=O)C2)nc[nH+]1 ZINC000621360216 370294613 /nfs/dbraw/zinc/29/46/13/370294613.db2.gz LFTLOVQUZQCQLJ-LLVKDONJSA-N 1 2 234.303 1.072 20 0 BDADLO Cc1cc(C[N@H+](CC(N)=O)C2CCCC2)on1 ZINC000076995771 370374238 /nfs/dbraw/zinc/37/42/38/370374238.db2.gz VJSLEUQGTCTKNO-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cc(C[N@@H+](CC(N)=O)C2CCCC2)on1 ZINC000076995771 370374242 /nfs/dbraw/zinc/37/42/42/370374242.db2.gz VJSLEUQGTCTKNO-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO CCCc1ccc(C[N@@H+]2CCNC(=O)C2)s1 ZINC000621709716 370454155 /nfs/dbraw/zinc/45/41/55/370454155.db2.gz BFJXZOMDUCVPSX-UHFFFAOYSA-N 1 2 238.356 1.632 20 0 BDADLO CCCc1ccc(C[N@H+]2CCNC(=O)C2)s1 ZINC000621709716 370454157 /nfs/dbraw/zinc/45/41/57/370454157.db2.gz BFJXZOMDUCVPSX-UHFFFAOYSA-N 1 2 238.356 1.632 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000621711898 370457917 /nfs/dbraw/zinc/45/79/17/370457917.db2.gz LLIJIMBFHDEOMD-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000621711898 370457922 /nfs/dbraw/zinc/45/79/22/370457922.db2.gz LLIJIMBFHDEOMD-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H](C)O1 ZINC000621713288 370461529 /nfs/dbraw/zinc/46/15/29/370461529.db2.gz FOECUFHFRSNURW-ZYHUDNBSSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H](C)O1 ZINC000621713288 370461535 /nfs/dbraw/zinc/46/15/35/370461535.db2.gz FOECUFHFRSNURW-ZYHUDNBSSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000621716525 370464436 /nfs/dbraw/zinc/46/44/36/370464436.db2.gz DDLKAZRFIILJLJ-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000621716525 370464442 /nfs/dbraw/zinc/46/44/42/370464442.db2.gz DDLKAZRFIILJLJ-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1nccnc1C ZINC000621729156 370482167 /nfs/dbraw/zinc/48/21/67/370482167.db2.gz KXTCFBOMPDRZLH-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1nccnc1C ZINC000621729156 370482175 /nfs/dbraw/zinc/48/21/75/370482175.db2.gz KXTCFBOMPDRZLH-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCSC1)c1c[nH]c[nH+]1 ZINC000621887673 370581256 /nfs/dbraw/zinc/58/12/56/370581256.db2.gz JZTBGJGGUCOHBM-QMMMGPOBSA-N 1 2 239.344 1.309 20 0 BDADLO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000621933674 370608035 /nfs/dbraw/zinc/60/80/35/370608035.db2.gz QFWUTQICAJLRDC-QMMMGPOBSA-N 1 2 247.302 1.288 20 0 BDADLO CC(C)(C(=O)N1CC=CCC1)c1c[nH+]c[nH]1 ZINC000621946588 370614265 /nfs/dbraw/zinc/61/42/65/370614265.db2.gz VOUZICROLQFAJB-UHFFFAOYSA-N 1 2 219.288 1.476 20 0 BDADLO Cc1cccnc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685638 371062428 /nfs/dbraw/zinc/06/24/28/371062428.db2.gz CBXURVZRHPUXHE-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CCOc1ccccc1C[NH2+]Cc1cn(C)nn1 ZINC000092022913 371072543 /nfs/dbraw/zinc/07/25/43/371072543.db2.gz LRVNEYDLANAMNR-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cn(C)nn2)o1 ZINC000389815097 371175781 /nfs/dbraw/zinc/17/57/81/371175781.db2.gz NQBFTTTYMKZTTP-SKDRFNHKSA-N 1 2 246.314 1.821 20 0 BDADLO C[C@H](CC(=O)NCCn1cc[nH+]c1)c1ccco1 ZINC000624075798 371293635 /nfs/dbraw/zinc/29/36/35/371293635.db2.gz ZUGUUVIJPJNCRH-LLVKDONJSA-N 1 2 247.298 1.786 20 0 BDADLO Nc1ccc(-c2cccc(CO)c2)c[nH+]1 ZINC000095495486 371295765 /nfs/dbraw/zinc/29/57/65/371295765.db2.gz ADCNVCQXPHAQMA-UHFFFAOYSA-N 1 2 200.241 1.823 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[C@@H]1C)CC2 ZINC000624108842 371313467 /nfs/dbraw/zinc/31/34/67/371313467.db2.gz GSWOSUNNYWUPEO-WCQGTBRESA-N 1 2 247.342 1.526 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](n2cncn2)C1 ZINC000624117945 371318248 /nfs/dbraw/zinc/31/82/48/371318248.db2.gz ZNNBMXNWHANJMS-JTQLQIEISA-N 1 2 245.286 1.133 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000624221938 371410063 /nfs/dbraw/zinc/41/00/63/371410063.db2.gz LMFDZMXZRMIPNM-QWRKXWFKSA-N 1 2 235.331 1.936 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCC2CC=CC2)c1 ZINC000624188546 371377051 /nfs/dbraw/zinc/37/70/51/371377051.db2.gz VFUQFCSMVWUAKQ-UHFFFAOYSA-N 1 2 248.330 1.228 20 0 BDADLO CC(C)n1ccnc1C[NH2+]Cc1cnn(C)c1 ZINC000624494446 371523245 /nfs/dbraw/zinc/52/32/45/371523245.db2.gz QXXKDFSFBDXMBP-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC1(C)C)CC2 ZINC000624524773 371529805 /nfs/dbraw/zinc/52/98/05/371529805.db2.gz CBRQNEOSDDJFPC-GHMZBOCLSA-N 1 2 247.342 1.669 20 0 BDADLO Cc1ccncc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627368427 371585716 /nfs/dbraw/zinc/58/57/16/371585716.db2.gz ULYLBMNVHXXREC-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1ccncc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627368427 371585721 /nfs/dbraw/zinc/58/57/21/371585721.db2.gz ULYLBMNVHXXREC-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO CCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000627369117 371588064 /nfs/dbraw/zinc/58/80/64/371588064.db2.gz LBXFCOJPNPDWNP-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO CCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000627369117 371588069 /nfs/dbraw/zinc/58/80/69/371588069.db2.gz LBXFCOJPNPDWNP-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627369932 371588150 /nfs/dbraw/zinc/58/81/50/371588150.db2.gz IEWRMYIJGCLQME-NXEZZACHSA-N 1 2 233.315 1.731 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627369932 371588157 /nfs/dbraw/zinc/58/81/57/371588157.db2.gz IEWRMYIJGCLQME-NXEZZACHSA-N 1 2 233.315 1.731 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C12CC(C1)C2 ZINC000627599333 371770839 /nfs/dbraw/zinc/77/08/39/371770839.db2.gz IHMIIQNXINYPGK-UHFFFAOYSA-N 1 2 219.288 1.319 20 0 BDADLO O=S(=O)(CCC1CCC1)NCc1c[nH+]c[nH]1 ZINC000304428738 371789891 /nfs/dbraw/zinc/78/98/91/371789891.db2.gz FTTGBJOGMUJJGL-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO O=S(=O)(CCC1CCC1)NCc1c[nH]c[nH+]1 ZINC000304428738 371789899 /nfs/dbraw/zinc/78/98/99/371789899.db2.gz FTTGBJOGMUJJGL-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C12CC(C1)C2 ZINC000627658307 371817104 /nfs/dbraw/zinc/81/71/04/371817104.db2.gz WTNGCHPPJIQXKU-JBLZRFIASA-N 1 2 233.315 1.880 20 0 BDADLO Cc1csc(C[NH2+]Cc2cn[nH]c2)n1 ZINC000132775904 371919927 /nfs/dbraw/zinc/91/99/27/371919927.db2.gz VOGBXUXWOKWECH-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1c[nH]c(CNc2cnn3c2CCCC3)[nH+]1 ZINC000631230000 372250677 /nfs/dbraw/zinc/25/06/77/372250677.db2.gz KKVCSFOZSKZJAA-UHFFFAOYSA-N 1 2 231.303 1.863 20 0 BDADLO CCCCc1cc(N[C@H]2[C@@H]3COC[C@@H]32)nc[nH+]1 ZINC000631257337 372263846 /nfs/dbraw/zinc/26/38/46/372263846.db2.gz RPQUKSMLKCOLHL-PJXYFTJBSA-N 1 2 233.315 1.876 20 0 BDADLO C[C@](O)(CO)CNc1cc2ccccc2c[nH+]1 ZINC000631258273 372264296 /nfs/dbraw/zinc/26/42/96/372264296.db2.gz OQRDWGFPCYTLQY-CYBMUJFWSA-N 1 2 232.283 1.390 20 0 BDADLO O=C(CC1=CCCCC1)NCc1[nH]cc[nH+]1 ZINC000070651647 181884588 /nfs/dbraw/zinc/88/45/88/181884588.db2.gz JEPAVTIJDBMPEH-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO CCCCc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000631300524 372284431 /nfs/dbraw/zinc/28/44/31/372284431.db2.gz CRMREDYHAZXTCX-PHIMTYICSA-N 1 2 221.304 1.754 20 0 BDADLO Cc1nc(NC[C@@H]2CCCC23CC3)nc(N)[nH+]1 ZINC000631394588 372334144 /nfs/dbraw/zinc/33/41/44/372334144.db2.gz QQKSIUPJKVWPOX-VIFPVBQESA-N 1 2 233.319 1.007 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCCC23CC3)[nH+]1 ZINC000631394588 372334147 /nfs/dbraw/zinc/33/41/47/372334147.db2.gz QQKSIUPJKVWPOX-VIFPVBQESA-N 1 2 233.319 1.007 20 0 BDADLO Cc1nc(N2CCC(F)(F)C[C@@H]2C)nc(N)[nH+]1 ZINC000631401465 372338769 /nfs/dbraw/zinc/33/87/69/372338769.db2.gz GCOZAGRRWUBLAH-LURJTMIESA-N 1 2 243.261 1.217 20 0 BDADLO Cc1nc(N)nc(N2CCC(F)(F)C[C@@H]2C)[nH+]1 ZINC000631401465 372338776 /nfs/dbraw/zinc/33/87/76/372338776.db2.gz GCOZAGRRWUBLAH-LURJTMIESA-N 1 2 243.261 1.217 20 0 BDADLO CCC[C@@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000631426155 372356754 /nfs/dbraw/zinc/35/67/54/372356754.db2.gz GBVBGDTVENXFNT-NSHDSACASA-N 1 2 235.331 1.739 20 0 BDADLO Cc1ccc(CNc2nc[nH+]c3c2OCCN3)o1 ZINC000631511071 372401697 /nfs/dbraw/zinc/40/16/97/372401697.db2.gz UQBLKPHCCRFYAS-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO Cc1ccc(CNc2[nH+]cnc3c2OCCN3)o1 ZINC000631511071 372401702 /nfs/dbraw/zinc/40/17/02/372401702.db2.gz UQBLKPHCCRFYAS-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CCCCc1noc(C[NH2+]C(C)(C)COC)n1 ZINC000171204625 372474327 /nfs/dbraw/zinc/47/43/27/372474327.db2.gz LMHBJRQRHNSRFL-UHFFFAOYSA-N 1 2 241.335 1.927 20 0 BDADLO FC(F)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000171994234 372850369 /nfs/dbraw/zinc/85/03/69/372850369.db2.gz PPMRRMCVUSFKGC-UHFFFAOYSA-N 1 2 229.274 1.860 20 0 BDADLO O=C(COc1ccccc1)Nc1cc[nH+]cc1O ZINC000109891362 182003167 /nfs/dbraw/zinc/00/31/67/182003167.db2.gz ZDTROLWYHKOMNG-UHFFFAOYSA-N 1 2 244.250 1.805 20 0 BDADLO O=C(COc1cc[nH+]cc1)NCC(F)(F)F ZINC000276416291 182003775 /nfs/dbraw/zinc/00/37/75/182003775.db2.gz GSVOJQYCWONUHA-UHFFFAOYSA-N 1 2 234.177 1.139 20 0 BDADLO O=C(C[C@H]1CCCCO1)N1CCn2c[nH+]cc2C1 ZINC000290975761 182026791 /nfs/dbraw/zinc/02/67/91/182026791.db2.gz UTTKTKJSULKSER-GFCCVEGCSA-N 1 2 249.314 1.185 20 0 BDADLO CC(C)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000632417987 372928612 /nfs/dbraw/zinc/92/86/12/372928612.db2.gz SZAGQPPDNJRFCX-BDAKNGLRSA-N 1 2 222.292 1.597 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C2CC2)C1 ZINC000291510717 182070483 /nfs/dbraw/zinc/07/04/83/182070483.db2.gz QQBGNLRDCOHMBB-GFCCVEGCSA-N 1 2 233.315 1.532 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1ccc(F)cc1 ZINC000010809383 182071168 /nfs/dbraw/zinc/07/11/68/182071168.db2.gz UNZGPYJUTORKNO-UHFFFAOYSA-N 1 2 233.246 1.339 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632879604 373205593 /nfs/dbraw/zinc/20/55/93/373205593.db2.gz GNFRJZUKNUNBOZ-RKDXNWHRSA-N 1 2 222.292 1.207 20 0 BDADLO O=C(NC1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265877222 182104175 /nfs/dbraw/zinc/10/41/75/182104175.db2.gz ZQKOOYPZLDQPDM-UHFFFAOYSA-N 1 2 248.330 1.851 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000633141225 373306405 /nfs/dbraw/zinc/30/64/05/373306405.db2.gz JTJVIMFUXYIRPP-SECBINFHSA-N 1 2 236.319 1.740 20 0 BDADLO CC(C)=CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633186874 373330648 /nfs/dbraw/zinc/33/06/48/373330648.db2.gz ZFKXNZWVUYWPOQ-UHFFFAOYSA-N 1 2 222.292 1.517 20 0 BDADLO O=C(NC1CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000170870975 182118234 /nfs/dbraw/zinc/11/82/34/182118234.db2.gz JXCDQPHEDHNHGP-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1conc1C ZINC000633270905 373429846 /nfs/dbraw/zinc/42/98/46/373429846.db2.gz IGRMVYNTWAAAKS-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO Cc1conc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000633334295 373479928 /nfs/dbraw/zinc/47/99/28/373479928.db2.gz PYAOZCZNOZJDDP-IUCAKERBSA-N 1 2 246.270 1.615 20 0 BDADLO O=C(NCC1CCC1)N1CCn2c[nH+]cc2C1 ZINC000292348911 182142854 /nfs/dbraw/zinc/14/28/54/182142854.db2.gz JOQJKTUPLORCOZ-UHFFFAOYSA-N 1 2 234.303 1.208 20 0 BDADLO Cc1nocc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000633650774 373660814 /nfs/dbraw/zinc/66/08/14/373660814.db2.gz YNPBFFBVVXVTCY-MRVPVSSYSA-N 1 2 234.259 1.208 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1ccco1 ZINC000115161131 182169064 /nfs/dbraw/zinc/16/90/64/182169064.db2.gz LUNQEWAPZRFBET-UHFFFAOYSA-N 1 2 245.282 1.907 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000118750009 182169443 /nfs/dbraw/zinc/16/94/43/182169443.db2.gz NOUYYGJGZDPLSQ-NSHDSACASA-N 1 2 249.314 1.036 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1CC=CCC1 ZINC000077537216 182177560 /nfs/dbraw/zinc/17/75/60/182177560.db2.gz IIFPXGMJMINXSJ-LBPRGKRZSA-N 1 2 248.330 1.681 20 0 BDADLO O=C(NCCF)NCc1cn2ccccc2[nH+]1 ZINC000281803634 182180477 /nfs/dbraw/zinc/18/04/77/182180477.db2.gz MXDIRGXWCIBUQX-UHFFFAOYSA-N 1 2 236.250 1.103 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000267369134 182188345 /nfs/dbraw/zinc/18/83/45/182188345.db2.gz RJVYVBCYKWOCFC-PJXYFTJBSA-N 1 2 245.326 1.656 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC(F)(F)C1 ZINC000359250192 182214698 /nfs/dbraw/zinc/21/46/98/182214698.db2.gz ITNHPOTZBORORI-SECBINFHSA-N 1 2 243.257 1.435 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000190039561 205889762 /nfs/dbraw/zinc/88/97/62/205889762.db2.gz QUOPLNUYEBXNQQ-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cncc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000190039561 205889766 /nfs/dbraw/zinc/88/97/66/205889766.db2.gz QUOPLNUYEBXNQQ-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO O=C(NCCc1cn2ccccc2[nH+]1)C1=CCC1 ZINC000355699758 182210173 /nfs/dbraw/zinc/21/01/73/182210173.db2.gz YAQFZDBIDNDSBQ-UHFFFAOYSA-N 1 2 241.294 1.713 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC12CCCCC2 ZINC000357327791 182217272 /nfs/dbraw/zinc/21/72/72/182217272.db2.gz KHIXFCUWNSGIBQ-GFCCVEGCSA-N 1 2 247.342 1.970 20 0 BDADLO CCn1ncnc1CNc1ccc(C)[nH+]c1C ZINC000634305578 374147251 /nfs/dbraw/zinc/14/72/51/374147251.db2.gz WIOFKBAFDHSTDN-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000634506050 374281957 /nfs/dbraw/zinc/28/19/57/374281957.db2.gz DHFWPHQFJDJLRZ-RNFRBKRXSA-N 1 2 247.220 1.409 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(c2ccccc2)CC1 ZINC000070990362 182272108 /nfs/dbraw/zinc/27/21/08/182272108.db2.gz WCBKLRPUISUONC-UHFFFAOYSA-N 1 2 241.294 1.758 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccc(C)nc2)n1 ZINC000424192780 206034563 /nfs/dbraw/zinc/03/45/63/206034563.db2.gz SRKDWAMYVSZDIH-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO COCC(C)(C)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000426421431 206046929 /nfs/dbraw/zinc/04/69/29/206046929.db2.gz PQPLIPUJADXFET-UHFFFAOYSA-N 1 2 238.335 1.075 20 0 BDADLO COCC(C)(C)C[N@H+]1CCn2nc(C)nc2C1 ZINC000426421431 206046933 /nfs/dbraw/zinc/04/69/33/206046933.db2.gz PQPLIPUJADXFET-UHFFFAOYSA-N 1 2 238.335 1.075 20 0 BDADLO CCOCCCn1ncc2c1nc[nH+]c2NC ZINC000435797491 206064901 /nfs/dbraw/zinc/06/49/01/206064901.db2.gz DXBSMWXHPIRHAG-UHFFFAOYSA-N 1 2 235.291 1.295 20 0 BDADLO C[C@H]([NH2+]CC1=CCCCC1)c1ncn(C)n1 ZINC000450806431 206105042 /nfs/dbraw/zinc/10/50/42/206105042.db2.gz DAWWSBHYMLIGGR-JTQLQIEISA-N 1 2 220.320 1.966 20 0 BDADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(F)F ZINC000194803338 182335615 /nfs/dbraw/zinc/33/56/15/182335615.db2.gz KXLAEYQQNSCCCK-QMMMGPOBSA-N 1 2 241.241 1.042 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1ccncc1 ZINC000358778965 182374774 /nfs/dbraw/zinc/37/47/74/182374774.db2.gz JYDNPBATAVIICD-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO O=C(Nc1ccccc1Cl)[C@H]1COCC[NH2+]1 ZINC000083872068 182378078 /nfs/dbraw/zinc/37/80/78/182378078.db2.gz UUKIZXKWBOTCDQ-SNVBAGLBSA-N 1 2 240.690 1.267 20 0 BDADLO O=C(Nc1cccc2[nH]cnc21)[C@H]1CSC[NH2+]1 ZINC000166527418 182373063 /nfs/dbraw/zinc/37/30/63/182373063.db2.gz WDVBYLNTHADJSV-SECBINFHSA-N 1 2 248.311 1.164 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)NN1CCCC1 ZINC000297156914 182384742 /nfs/dbraw/zinc/38/47/42/182384742.db2.gz PYGXIXQJHOCIJE-UHFFFAOYSA-N 1 2 245.286 1.467 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCOC1 ZINC000353676719 182385034 /nfs/dbraw/zinc/38/50/34/182385034.db2.gz MGAHKTNYFKNFHK-SNVBAGLBSA-N 1 2 246.270 1.245 20 0 BDADLO O=C(Nc1ccncc1)N1CCn2c[nH+]cc2C1 ZINC000290132611 182386032 /nfs/dbraw/zinc/38/60/32/182386032.db2.gz LXRKVMLJLSIQAA-UHFFFAOYSA-N 1 2 243.270 1.326 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@@H](C)F ZINC000308574133 170187283 /nfs/dbraw/zinc/18/72/83/170187283.db2.gz CVPWMFOXZZNRNS-MRVPVSSYSA-N 1 2 205.273 1.666 20 0 BDADLO OCC(F)(F)C[NH2+]C/C=C/c1ccncc1 ZINC000309623811 183033471 /nfs/dbraw/zinc/03/34/71/183033471.db2.gz IICZUNAKUMPWGO-OWOJBTEDSA-N 1 2 228.242 1.312 20 0 BDADLO OCCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000120964268 183057718 /nfs/dbraw/zinc/05/77/18/183057718.db2.gz OQRYCWUKOMYVSW-NSHDSACASA-N 1 2 211.261 1.035 20 0 BDADLO OCCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000120964268 183057720 /nfs/dbraw/zinc/05/77/20/183057720.db2.gz OQRYCWUKOMYVSW-NSHDSACASA-N 1 2 211.261 1.035 20 0 BDADLO OCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126593129 183076692 /nfs/dbraw/zinc/07/66/92/183076692.db2.gz FTITYEGROKXAMN-UHFFFAOYSA-N 1 2 216.284 1.518 20 0 BDADLO OCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126593129 183076695 /nfs/dbraw/zinc/07/66/95/183076695.db2.gz FTITYEGROKXAMN-UHFFFAOYSA-N 1 2 216.284 1.518 20 0 BDADLO OCCOC1CC[NH+](Cc2cscn2)CC1 ZINC000126894893 183083063 /nfs/dbraw/zinc/08/30/63/183083063.db2.gz VFRWUCCVXWZCOZ-UHFFFAOYSA-N 1 2 242.344 1.116 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ccccn1)c1ccco1 ZINC000184519887 183091199 /nfs/dbraw/zinc/09/11/99/183091199.db2.gz DWIGDBRQKVGVQZ-GFCCVEGCSA-N 1 2 232.283 1.888 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1nccnc1Cl ZINC000095078636 183121488 /nfs/dbraw/zinc/12/14/88/183121488.db2.gz KCGDZLMEZVSZNR-QMMMGPOBSA-N 1 2 227.695 1.087 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1nccnc1Cl ZINC000095078636 183121490 /nfs/dbraw/zinc/12/14/90/183121490.db2.gz KCGDZLMEZVSZNR-QMMMGPOBSA-N 1 2 227.695 1.087 20 0 BDADLO CCCC[C@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000161044540 169012286 /nfs/dbraw/zinc/01/22/86/169012286.db2.gz MCMQJDDDZSVBCH-JTQLQIEISA-N 1 2 239.319 1.242 20 0 BDADLO OC[C@@H](CC(F)(F)F)[NH2+]Cc1cscn1 ZINC000308880055 183103407 /nfs/dbraw/zinc/10/34/07/183103407.db2.gz POAPRWMDYRDXAB-ZCFIWIBFSA-N 1 2 240.250 1.546 20 0 BDADLO OC[C@@H](CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000280858772 183106564 /nfs/dbraw/zinc/10/65/64/183106564.db2.gz DLBILZJOMRHSKO-GHMZBOCLSA-N 1 2 222.288 1.139 20 0 BDADLO OC[C@@]1([NH2+]Cc2ncc(Cl)s2)CCOC1 ZINC000308899973 183133687 /nfs/dbraw/zinc/13/36/87/183133687.db2.gz BOHXDHXWYRBRCJ-VIFPVBQESA-N 1 2 248.735 1.038 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000336720901 169026676 /nfs/dbraw/zinc/02/66/76/169026676.db2.gz YNWMUSWFPSVTSG-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@@H](O)C[C@@H]2C)no1 ZINC000336720901 169026677 /nfs/dbraw/zinc/02/66/77/169026677.db2.gz YNWMUSWFPSVTSG-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000086831716 183127524 /nfs/dbraw/zinc/12/75/24/183127524.db2.gz BIJSGNMWIMACSH-LBPRGKRZSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000086831716 183127525 /nfs/dbraw/zinc/12/75/25/183127525.db2.gz BIJSGNMWIMACSH-LBPRGKRZSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000332640586 183153536 /nfs/dbraw/zinc/15/35/36/183153536.db2.gz KDSDAGIQOIFCNG-ZETCQYMHSA-N 1 2 249.236 1.243 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000332640586 183153539 /nfs/dbraw/zinc/15/35/39/183153539.db2.gz KDSDAGIQOIFCNG-ZETCQYMHSA-N 1 2 249.236 1.243 20 0 BDADLO OC[C@H]1C[N@H+](Cc2cscn2)CCC1(F)F ZINC000361059868 183154707 /nfs/dbraw/zinc/15/47/07/183154707.db2.gz JNDJTEIEPRBZLY-MRVPVSSYSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2cscn2)CCC1(F)F ZINC000361059868 183154710 /nfs/dbraw/zinc/15/47/10/183154710.db2.gz JNDJTEIEPRBZLY-MRVPVSSYSA-N 1 2 248.298 1.593 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000169061384 183163582 /nfs/dbraw/zinc/16/35/82/183163582.db2.gz OXOYGQTYZRDNFU-STQMWFEESA-N 1 2 237.299 1.525 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000169061384 183163584 /nfs/dbraw/zinc/16/35/84/183163584.db2.gz OXOYGQTYZRDNFU-STQMWFEESA-N 1 2 237.299 1.525 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@H](C2CC2)C1)C(F)(F)F ZINC000362564520 183176998 /nfs/dbraw/zinc/17/69/98/183176998.db2.gz LNKSXEGBSNBVEL-IUCAKERBSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@H](C2CC2)C1)C(F)(F)F ZINC000362564520 183177003 /nfs/dbraw/zinc/17/70/03/183177003.db2.gz LNKSXEGBSNBVEL-IUCAKERBSA-N 1 2 239.237 1.020 20 0 BDADLO OCc1ccc(NC[C@@H]2CCSC2)[nH+]c1 ZINC000291526814 183166705 /nfs/dbraw/zinc/16/67/05/183166705.db2.gz JTOHEFYORPZMNQ-JTQLQIEISA-N 1 2 224.329 1.739 20 0 BDADLO O[C@@H](C[N@@H+]1CCC[C@H]1c1cc[nH]n1)C(F)(F)F ZINC000278582199 183176167 /nfs/dbraw/zinc/17/61/67/183176167.db2.gz KEBDWQYGESHIFU-IUCAKERBSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H](C[N@H+]1CCC[C@H]1c1cc[nH]n1)C(F)(F)F ZINC000278582199 183176171 /nfs/dbraw/zinc/17/61/71/183176171.db2.gz KEBDWQYGESHIFU-IUCAKERBSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000294833057 183207785 /nfs/dbraw/zinc/20/77/85/183207785.db2.gz QEXNZUQPLPCIRT-JTQLQIEISA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000294833057 183207788 /nfs/dbraw/zinc/20/77/88/183207788.db2.gz QEXNZUQPLPCIRT-JTQLQIEISA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000082990933 183190979 /nfs/dbraw/zinc/19/09/79/183190979.db2.gz GPHFGVZYQXJWRZ-GXSJLCMTSA-N 1 2 209.293 1.050 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000328803443 183192869 /nfs/dbraw/zinc/19/28/69/183192869.db2.gz JZBQBXZZJYXQTP-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000328803443 183192871 /nfs/dbraw/zinc/19/28/71/183192871.db2.gz JZBQBXZZJYXQTP-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077684 183193416 /nfs/dbraw/zinc/19/34/16/183193416.db2.gz YOEKQMWZPUFOND-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077684 183193420 /nfs/dbraw/zinc/19/34/20/183193420.db2.gz YOEKQMWZPUFOND-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1ccccn1 ZINC000050051836 169101671 /nfs/dbraw/zinc/10/16/71/169101671.db2.gz ZKWLYZAMANXHGH-UHFFFAOYSA-N 1 2 236.315 1.857 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1ccccn1 ZINC000050051836 169101673 /nfs/dbraw/zinc/10/16/73/169101673.db2.gz ZKWLYZAMANXHGH-UHFFFAOYSA-N 1 2 236.315 1.857 20 0 BDADLO CCCN(C)c1nc(C)[nH+]c(N(C)CCC)n1 ZINC000359523842 169089275 /nfs/dbraw/zinc/08/92/75/169089275.db2.gz IPPQJUOHOCXILV-UHFFFAOYSA-N 1 2 237.351 1.872 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000128161802 183238981 /nfs/dbraw/zinc/23/89/81/183238981.db2.gz SNWWKIMGUZLWIK-QMMMGPOBSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000128161802 183238983 /nfs/dbraw/zinc/23/89/83/183238983.db2.gz SNWWKIMGUZLWIK-QMMMGPOBSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC12CC2 ZINC000364320093 183243168 /nfs/dbraw/zinc/24/31/68/183243168.db2.gz VOIVHSYATGVTQT-QMMMGPOBSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC12CC2 ZINC000364320093 183243169 /nfs/dbraw/zinc/24/31/69/183243169.db2.gz VOIVHSYATGVTQT-QMMMGPOBSA-N 1 2 244.747 1.753 20 0 BDADLO CCCN(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299353154 169115028 /nfs/dbraw/zinc/11/50/28/169115028.db2.gz DEFFDKVZPOVSFD-LLVKDONJSA-N 1 2 238.335 1.713 20 0 BDADLO O[C@]1(C(F)F)CCN(c2cccc[nH+]2)C1 ZINC000336264252 183250744 /nfs/dbraw/zinc/25/07/44/183250744.db2.gz ZFWPDHXMOHNPTK-SNVBAGLBSA-N 1 2 214.215 1.288 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000291500553 183234973 /nfs/dbraw/zinc/23/49/73/183234973.db2.gz VDTKMFLACBGKMA-VIFPVBQESA-N 1 2 228.242 1.317 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000291500553 183234975 /nfs/dbraw/zinc/23/49/75/183234975.db2.gz VDTKMFLACBGKMA-VIFPVBQESA-N 1 2 228.242 1.317 20 0 BDADLO O[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000040431684 183235266 /nfs/dbraw/zinc/23/52/66/183235266.db2.gz QLEFFLIVUDWFQV-VIFPVBQESA-N 1 2 217.272 1.524 20 0 BDADLO O[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000294226592 183235843 /nfs/dbraw/zinc/23/58/43/183235843.db2.gz VKGCWGGXVCNFMA-NSHDSACASA-N 1 2 233.315 1.705 20 0 BDADLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1nccs1)C2 ZINC000330148769 183263493 /nfs/dbraw/zinc/26/34/93/183263493.db2.gz MJZAHFVWGWFGIT-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1nccs1)C2 ZINC000330148769 183263496 /nfs/dbraw/zinc/26/34/96/183263496.db2.gz MJZAHFVWGWFGIT-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](C/C=C/Cl)CC2)[nH]1 ZINC000367387923 183305026 /nfs/dbraw/zinc/30/50/26/183305026.db2.gz KJMQKTYJKYIIAO-DAFODLJHSA-N 1 2 242.710 1.442 20 0 BDADLO c1c[nH]c(C[NH+]2CCC(OCC3CC3)CC2)n1 ZINC000374091972 183323251 /nfs/dbraw/zinc/32/32/51/183323251.db2.gz LYHQFMWIVDCSFI-UHFFFAOYSA-N 1 2 235.331 1.801 20 0 BDADLO c1c[nH+]c(CNc2ccc(-n3cncn3)cc2)[nH]1 ZINC000049715511 183325844 /nfs/dbraw/zinc/32/58/44/183325844.db2.gz UABKWQSYFIGUDU-UHFFFAOYSA-N 1 2 240.270 1.603 20 0 BDADLO c1c[nH+]c(CN2CCC[C@H]2c2ncon2)[nH]1 ZINC000362860001 183325886 /nfs/dbraw/zinc/32/58/86/183325886.db2.gz PJLGEAQHQOYXJD-QMMMGPOBSA-N 1 2 219.248 1.130 20 0 BDADLO c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cocn3)C2)[nH]1 ZINC000276496416 183326475 /nfs/dbraw/zinc/32/64/75/183326475.db2.gz WUPIZEIJWLOBDI-SNVBAGLBSA-N 1 2 232.287 1.777 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN(Cc3cocn3)C2)[nH]1 ZINC000276496416 183326479 /nfs/dbraw/zinc/32/64/79/183326479.db2.gz WUPIZEIJWLOBDI-SNVBAGLBSA-N 1 2 232.287 1.777 20 0 BDADLO c1c[nH+]c(COCCO[C@@H]2CCCCO2)[nH]1 ZINC000288725410 183326957 /nfs/dbraw/zinc/32/69/57/183326957.db2.gz WFXRRKPQOQUJOI-LLVKDONJSA-N 1 2 226.276 1.470 20 0 BDADLO c1c[nH+]c(COCc2nc(C3CC3)no2)[nH]1 ZINC000341349251 183327836 /nfs/dbraw/zinc/32/78/36/183327836.db2.gz IBLMAGMIQMOXDJ-UHFFFAOYSA-N 1 2 220.232 1.387 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1cscn1)CC2 ZINC000276853007 183309645 /nfs/dbraw/zinc/30/96/45/183309645.db2.gz AAWWRDMMHDQKFE-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cscn1)CC2 ZINC000276853007 183309646 /nfs/dbraw/zinc/30/96/46/183309646.db2.gz AAWWRDMMHDQKFE-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO CCCNC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118848112 169226476 /nfs/dbraw/zinc/22/64/76/169226476.db2.gz TWUAIZUOVSXKBF-UHFFFAOYSA-N 1 2 241.360 1.494 20 0 BDADLO CCCNC(=O)CNc1[nH+]c2ccccc2n1C ZINC000079044456 169230276 /nfs/dbraw/zinc/23/02/76/169230276.db2.gz OTIGOTWYCISZBK-UHFFFAOYSA-N 1 2 246.314 1.511 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccn1 ZINC000367572613 183343943 /nfs/dbraw/zinc/34/39/43/183343943.db2.gz FMWVGFJGYLRKML-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccn1 ZINC000367572613 183343944 /nfs/dbraw/zinc/34/39/44/183343944.db2.gz FMWVGFJGYLRKML-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3CCOC[C@@H]32)c[nH]1 ZINC000366492676 183344825 /nfs/dbraw/zinc/34/48/25/183344825.db2.gz WGQWNKCLSVQYOR-NWDGAFQWSA-N 1 2 222.288 1.004 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3CCOC[C@@H]32)c[nH]1 ZINC000366492676 183344826 /nfs/dbraw/zinc/34/48/26/183344826.db2.gz WGQWNKCLSVQYOR-NWDGAFQWSA-N 1 2 222.288 1.004 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CSCCS2)[nH]n1 ZINC000131145065 183352390 /nfs/dbraw/zinc/35/23/90/183352390.db2.gz JBXFSYUPJZYZDK-VIFPVBQESA-N 1 2 229.374 1.348 20 0 BDADLO c1cc(NCC[NH+]2CCOCC2)nc(C2CC2)n1 ZINC000110111413 183357824 /nfs/dbraw/zinc/35/78/24/183357824.db2.gz YEGGIRWGKXBZHN-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BDADLO c1cn(-c2cccc(NCc3ccoc3)n2)c[nH+]1 ZINC000363970879 183335235 /nfs/dbraw/zinc/33/52/35/183335235.db2.gz ZZUMUVKAFASCDO-UHFFFAOYSA-N 1 2 240.266 1.894 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000340870775 169222024 /nfs/dbraw/zinc/22/20/24/169222024.db2.gz CJNAXQCCFCJMDL-GFCCVEGCSA-N 1 2 228.336 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000340870775 169222026 /nfs/dbraw/zinc/22/20/26/169222026.db2.gz CJNAXQCCFCJMDL-GFCCVEGCSA-N 1 2 228.336 1.014 20 0 BDADLO c1cc(C[N@@H+]2CCC23COC3)cc2c1OCO2 ZINC000049052162 183368231 /nfs/dbraw/zinc/36/82/31/183368231.db2.gz RQZBZHADANZTNB-UHFFFAOYSA-N 1 2 233.267 1.390 20 0 BDADLO c1cc(C[N@H+]2CCC23COC3)cc2c1OCO2 ZINC000049052162 183368232 /nfs/dbraw/zinc/36/82/32/183368232.db2.gz RQZBZHADANZTNB-UHFFFAOYSA-N 1 2 233.267 1.390 20 0 BDADLO CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339227437 169243961 /nfs/dbraw/zinc/24/39/61/169243961.db2.gz AXCIRFIRZGNGBJ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339227437 169243962 /nfs/dbraw/zinc/24/39/62/169243962.db2.gz AXCIRFIRZGNGBJ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO c1cc(C[N@H+](Cc2ccccn2)C2CC2)n[nH]1 ZINC000290377406 183397573 /nfs/dbraw/zinc/39/75/73/183397573.db2.gz HXOSOAUZNXZXSR-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO c1cc(C[N@@H+](Cc2ccccn2)C2CC2)n[nH]1 ZINC000290377406 183397575 /nfs/dbraw/zinc/39/75/75/183397575.db2.gz HXOSOAUZNXZXSR-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569776 169368836 /nfs/dbraw/zinc/36/88/36/169368836.db2.gz LHJLDTGOBIVHOT-UTUOFQBUSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569776 169368838 /nfs/dbraw/zinc/36/88/38/169368838.db2.gz LHJLDTGOBIVHOT-UTUOFQBUSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266969593 169351435 /nfs/dbraw/zinc/35/14/35/169351435.db2.gz LDQBMVKGDLJKSK-MRVPVSSYSA-N 1 2 209.293 1.771 20 0 BDADLO CCC[C@@H](CC)NC(=O)CCn1cc[nH+]c1 ZINC000299567004 169376359 /nfs/dbraw/zinc/37/63/59/169376359.db2.gz BCGKHKJWKOQXDN-LLVKDONJSA-N 1 2 223.320 1.968 20 0 BDADLO CCC[C@@H](CCO)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267183039 169381874 /nfs/dbraw/zinc/38/18/74/169381874.db2.gz JAICPYUAGMDGAB-JTQLQIEISA-N 1 2 239.319 1.247 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000225431799 134353362 /nfs/dbraw/zinc/35/33/62/134353362.db2.gz UGSHKYRQEVTFFJ-HTQZYQBOSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000225431799 134353363 /nfs/dbraw/zinc/35/33/63/134353363.db2.gz UGSHKYRQEVTFFJ-HTQZYQBOSA-N 1 2 241.253 1.409 20 0 BDADLO Cc1ncc(C(=O)N(C)Cc2[nH]cc[nH+]2)s1 ZINC000225465703 134353654 /nfs/dbraw/zinc/35/36/54/134353654.db2.gz CERDDVWYXGWAET-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO CCC(O)(CC)C[N@H+](C)Cc1noc(C)n1 ZINC000183734331 134353830 /nfs/dbraw/zinc/35/38/30/134353830.db2.gz XWYWDYYUSDQDIJ-UHFFFAOYSA-N 1 2 227.308 1.361 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)Cc1noc(C)n1 ZINC000183734331 134353831 /nfs/dbraw/zinc/35/38/31/134353831.db2.gz XWYWDYYUSDQDIJ-UHFFFAOYSA-N 1 2 227.308 1.361 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000520044594 383838395 /nfs/dbraw/zinc/83/83/95/383838395.db2.gz FOWUSAKPLZYRAF-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000520044594 383838401 /nfs/dbraw/zinc/83/84/01/383838401.db2.gz FOWUSAKPLZYRAF-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO Cc1nc(C[N@H+](C)CCn2cccn2)oc1C ZINC000111280992 383851091 /nfs/dbraw/zinc/85/10/91/383851091.db2.gz SRBXKTZQLKYGAY-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO Cc1nc(C[N@@H+](C)CCn2cccn2)oc1C ZINC000111280992 383851097 /nfs/dbraw/zinc/85/10/97/383851097.db2.gz SRBXKTZQLKYGAY-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO O=S1(=O)CCCC[C@H]1CNc1cccc[nH+]1 ZINC000309567082 383869891 /nfs/dbraw/zinc/86/98/91/383869891.db2.gz LFSYLJZBWXNPRD-JTQLQIEISA-N 1 2 240.328 1.461 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000449493838 383870080 /nfs/dbraw/zinc/87/00/80/383870080.db2.gz MHIILLWNHFMQGG-ZWNOBZJWSA-N 1 2 237.347 1.965 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000449493838 383870084 /nfs/dbraw/zinc/87/00/84/383870084.db2.gz MHIILLWNHFMQGG-ZWNOBZJWSA-N 1 2 237.347 1.965 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1cnoc1C ZINC000517734427 383833355 /nfs/dbraw/zinc/83/33/55/383833355.db2.gz RWQUDBFITMBZPW-LBPRGKRZSA-N 1 2 223.320 1.509 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1cnoc1C ZINC000517734427 383833358 /nfs/dbraw/zinc/83/33/58/383833358.db2.gz RWQUDBFITMBZPW-LBPRGKRZSA-N 1 2 223.320 1.509 20 0 BDADLO Cc1cnc(C[N@H+](C)CCOCC2CC2)o1 ZINC000088600155 383915068 /nfs/dbraw/zinc/91/50/68/383915068.db2.gz MJDFELYPXUAAFU-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCOCC2CC2)o1 ZINC000088600155 383915072 /nfs/dbraw/zinc/91/50/72/383915072.db2.gz MJDFELYPXUAAFU-UHFFFAOYSA-N 1 2 224.304 1.841 20 0 BDADLO Cc1nc(N(C)CCOCC2CC2)cc[nH+]1 ZINC000088761980 383923166 /nfs/dbraw/zinc/92/31/66/383923166.db2.gz KTPNQKGAZONECF-UHFFFAOYSA-N 1 2 221.304 1.648 20 0 BDADLO Cc1nc(C[N@@H+]([C@H](C)CO)C2CCCC2)no1 ZINC000357620632 383888429 /nfs/dbraw/zinc/88/84/29/383888429.db2.gz LGMLVUONFZFBRS-SECBINFHSA-N 1 2 239.319 1.503 20 0 BDADLO Cc1nc(C[N@H+]([C@H](C)CO)C2CCCC2)no1 ZINC000357620632 383888434 /nfs/dbraw/zinc/88/84/34/383888434.db2.gz LGMLVUONFZFBRS-SECBINFHSA-N 1 2 239.319 1.503 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)c1ccn(C)n1 ZINC000493203706 533020685 /nfs/dbraw/zinc/02/06/85/533020685.db2.gz ILRSDGPDPOLSLX-CDAZIORVSA-N 1 2 245.286 1.034 20 0 BDADLO CN(CCO)c1[nH+]c2ccccc2n1C ZINC000070609151 383939182 /nfs/dbraw/zinc/93/91/82/383939182.db2.gz HGTBXLZYLXAQER-UHFFFAOYSA-N 1 2 205.261 1.002 20 0 BDADLO CO[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000569368671 383957660 /nfs/dbraw/zinc/95/76/60/383957660.db2.gz CIEIWBBZTOLNKM-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CS[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000518510020 383966972 /nfs/dbraw/zinc/96/69/72/383966972.db2.gz KXATZOREUXTLCM-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000569428253 384023052 /nfs/dbraw/zinc/02/30/52/384023052.db2.gz WARSIOFSHYMKRO-FRRDWIJNSA-N 1 2 247.342 1.968 20 0 BDADLO Cc1nnc(C[N@H+](CCO)Cc2ccccc2)o1 ZINC000049752754 384039868 /nfs/dbraw/zinc/03/98/68/384039868.db2.gz OUQSLBGYQNRFIP-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1nnc(C[N@@H+](CCO)Cc2ccccc2)o1 ZINC000049752754 384039873 /nfs/dbraw/zinc/03/98/73/384039873.db2.gz OUQSLBGYQNRFIP-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO COC(=O)c1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449380448 384089245 /nfs/dbraw/zinc/08/92/45/384089245.db2.gz NBZVSUSQBMRBLZ-UHFFFAOYSA-N 1 2 243.253 1.870 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000050104517 384107182 /nfs/dbraw/zinc/10/71/82/384107182.db2.gz QDMLEVUTJOYVBH-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000050104517 384107185 /nfs/dbraw/zinc/10/71/85/384107185.db2.gz QDMLEVUTJOYVBH-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1F)c1cnccn1 ZINC000530476149 384108816 /nfs/dbraw/zinc/10/88/16/384108816.db2.gz VQZUDUXYWMIVMQ-SECBINFHSA-N 1 2 232.262 1.862 20 0 BDADLO C[C@H](O)CN(C)c1[nH+]c2ccccc2n1C ZINC000070609153 384124816 /nfs/dbraw/zinc/12/48/16/384124816.db2.gz HUKZMVWDGRHKID-VIFPVBQESA-N 1 2 219.288 1.390 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)NCc1c[nH+]cn1C ZINC000334589972 384137649 /nfs/dbraw/zinc/13/76/49/384137649.db2.gz HEUOPUURPSXKIW-NSHDSACASA-N 1 2 236.319 1.360 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CCOC[C@@H]2C)c[nH]1 ZINC000091810615 384147940 /nfs/dbraw/zinc/14/79/40/384147940.db2.gz HBINGVAKWHQLSM-VIFPVBQESA-N 1 2 238.287 1.022 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CCOC[C@@H]2C)c[nH]1 ZINC000091810615 384147943 /nfs/dbraw/zinc/14/79/43/384147943.db2.gz HBINGVAKWHQLSM-VIFPVBQESA-N 1 2 238.287 1.022 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000560454880 384148308 /nfs/dbraw/zinc/14/83/08/384148308.db2.gz WUTMZPWFIDYALQ-ZJUUUORDSA-N 1 2 207.277 1.045 20 0 BDADLO COc1cc(C[NH+]2CCN(C)CC2)ccc1C ZINC000117501153 384175348 /nfs/dbraw/zinc/17/53/48/384175348.db2.gz MYOURQYSJHUELV-UHFFFAOYSA-N 1 2 234.343 1.751 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CC1 ZINC000530958539 384178053 /nfs/dbraw/zinc/17/80/53/384178053.db2.gz VKWZFZXXQBHTGE-STQMWFEESA-N 1 2 247.342 1.826 20 0 BDADLO Cc1occc1C[N@H+](C)Cc1cc[nH]n1 ZINC000092451974 384180414 /nfs/dbraw/zinc/18/04/14/384180414.db2.gz SKILDOHHIBEQPT-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1occc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000092451974 384180419 /nfs/dbraw/zinc/18/04/19/384180419.db2.gz SKILDOHHIBEQPT-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CO[C@H](C)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336583916 384184087 /nfs/dbraw/zinc/18/40/87/384184087.db2.gz SHSQYNGRHARQMG-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@H](C)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336583916 384184089 /nfs/dbraw/zinc/18/40/89/384184089.db2.gz SHSQYNGRHARQMG-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000408393590 384184266 /nfs/dbraw/zinc/18/42/66/384184266.db2.gz ICZGWOCUVOGLMY-GFCCVEGCSA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC000408393590 384184272 /nfs/dbraw/zinc/18/42/72/384184272.db2.gz ICZGWOCUVOGLMY-GFCCVEGCSA-N 1 2 238.335 1.059 20 0 BDADLO Cn1cccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703514 384190355 /nfs/dbraw/zinc/19/03/55/384190355.db2.gz ALMAVYOWEQDKIW-STQMWFEESA-N 1 2 247.342 1.268 20 0 BDADLO Cn1cccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703514 384190359 /nfs/dbraw/zinc/19/03/59/384190359.db2.gz ALMAVYOWEQDKIW-STQMWFEESA-N 1 2 247.342 1.268 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3ccsc3C2)o1 ZINC000132616221 384241181 /nfs/dbraw/zinc/24/11/81/384241181.db2.gz JXELGOQTSWDIGH-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3ccsc3C2)o1 ZINC000132616221 384241188 /nfs/dbraw/zinc/24/11/88/384241188.db2.gz JXELGOQTSWDIGH-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(CO)o2)[C@H]1C ZINC000093418288 384235498 /nfs/dbraw/zinc/23/54/98/384235498.db2.gz JFTJDMUQIXUCAN-VHSXEESVSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(CO)o2)[C@H]1C ZINC000093418288 384235503 /nfs/dbraw/zinc/23/55/03/384235503.db2.gz JFTJDMUQIXUCAN-VHSXEESVSA-N 1 2 225.288 1.381 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)s1 ZINC000093084416 384211786 /nfs/dbraw/zinc/21/17/86/384211786.db2.gz SYJGLMLFDPWQEI-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2(C)C)s1 ZINC000093084416 384211792 /nfs/dbraw/zinc/21/17/92/384211792.db2.gz SYJGLMLFDPWQEI-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ncccc2C)CCO1 ZINC000093176080 384219552 /nfs/dbraw/zinc/21/95/52/384219552.db2.gz RZEPNQVRBOOXQD-GFCCVEGCSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ncccc2C)CCO1 ZINC000093176080 384219558 /nfs/dbraw/zinc/21/95/58/384219558.db2.gz RZEPNQVRBOOXQD-GFCCVEGCSA-N 1 2 236.315 1.237 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCOCC1CCC1)CC2 ZINC000642700715 384227146 /nfs/dbraw/zinc/22/71/46/384227146.db2.gz LBWSTQYASCMLPL-UHFFFAOYSA-N 1 2 249.358 1.824 20 0 BDADLO CCC[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000132365861 384227543 /nfs/dbraw/zinc/22/75/43/384227543.db2.gz NKUNPJFQPNQSPZ-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cccs1 ZINC000082432542 384229198 /nfs/dbraw/zinc/22/91/98/384229198.db2.gz JLXXMLCIXVXUCH-UHFFFAOYSA-N 1 2 213.302 1.395 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cccs1 ZINC000082432542 384229201 /nfs/dbraw/zinc/22/92/01/384229201.db2.gz JLXXMLCIXVXUCH-UHFFFAOYSA-N 1 2 213.302 1.395 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)NCC(F)F ZINC000530964215 384246325 /nfs/dbraw/zinc/24/63/25/384246325.db2.gz NOYGAZGEDBVEST-UHFFFAOYSA-N 1 2 246.261 1.228 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000093529287 384248417 /nfs/dbraw/zinc/24/84/17/384248417.db2.gz FEGPDLOFYZYODD-ZDUSSCGKSA-N 1 2 237.299 1.239 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000093529287 384248422 /nfs/dbraw/zinc/24/84/22/384248422.db2.gz FEGPDLOFYZYODD-ZDUSSCGKSA-N 1 2 237.299 1.239 20 0 BDADLO CC[C@@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000516851249 384248660 /nfs/dbraw/zinc/24/86/60/384248660.db2.gz MFROAHOAKRVVNX-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)c(C)[nH+]1 ZINC000119248029 384250250 /nfs/dbraw/zinc/25/02/50/384250250.db2.gz QZIDMTXKVNNGNO-JTQLQIEISA-N 1 2 247.298 1.115 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000428223159 384250614 /nfs/dbraw/zinc/25/06/14/384250614.db2.gz VHRUHZBMCWOERJ-GFCCVEGCSA-N 1 2 219.284 1.476 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000428223159 384250621 /nfs/dbraw/zinc/25/06/21/384250621.db2.gz VHRUHZBMCWOERJ-GFCCVEGCSA-N 1 2 219.284 1.476 20 0 BDADLO C[N@H+](Cc1nccs1)CC1=CCCOC1 ZINC000093582699 384251571 /nfs/dbraw/zinc/25/15/71/384251571.db2.gz ZIOIGJXJSHACFN-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO C[N@@H+](Cc1nccs1)CC1=CCCOC1 ZINC000093582699 384251577 /nfs/dbraw/zinc/25/15/77/384251577.db2.gz ZIOIGJXJSHACFN-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO COC(=O)C1([NH2+]CCSC)CCCC1 ZINC000133554887 384255073 /nfs/dbraw/zinc/25/50/73/384255073.db2.gz UEJUNTBTNAHBLP-UHFFFAOYSA-N 1 2 217.334 1.425 20 0 BDADLO COC(=O)CN(Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000093707431 384264131 /nfs/dbraw/zinc/26/41/31/384264131.db2.gz MCWLYOWDXNXDOP-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO COC(=O)CN(Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000093707431 384264138 /nfs/dbraw/zinc/26/41/38/384264138.db2.gz MCWLYOWDXNXDOP-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO Cc1ccsc1C[NH+]1CCS(=O)CC1 ZINC000119402579 384266634 /nfs/dbraw/zinc/26/66/34/384266634.db2.gz UWWKZVIYAMNKCY-UHFFFAOYSA-N 1 2 229.370 1.621 20 0 BDADLO Cn1cccc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000093810444 384273179 /nfs/dbraw/zinc/27/31/79/384273179.db2.gz ARRMRRXESICAHW-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000093810444 384273185 /nfs/dbraw/zinc/27/31/85/384273185.db2.gz ARRMRRXESICAHW-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO CC[C@@H](C)CN(CC)c1nc(C)[nH+]c(N)n1 ZINC000304435957 384304512 /nfs/dbraw/zinc/30/45/12/384304512.db2.gz HBZBDUHPWFGCKM-MRVPVSSYSA-N 1 2 223.324 1.635 20 0 BDADLO CC[C@@H](C)CN(CC)c1nc(N)nc(C)[nH+]1 ZINC000304435957 384304517 /nfs/dbraw/zinc/30/45/17/384304517.db2.gz HBZBDUHPWFGCKM-MRVPVSSYSA-N 1 2 223.324 1.635 20 0 BDADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccccc1 ZINC000074917003 384311762 /nfs/dbraw/zinc/31/17/62/384311762.db2.gz WFSFRENHAFBVGQ-UHFFFAOYSA-N 1 2 248.326 1.091 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1csnn1 ZINC000401939980 384314294 /nfs/dbraw/zinc/31/42/94/384314294.db2.gz FMSQTZJWTOQURI-CSMHCCOUSA-N 1 2 213.306 1.366 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC[C@H](C)O1 ZINC000300071011 384287172 /nfs/dbraw/zinc/28/71/72/384287172.db2.gz QZAYHXANNVUOAI-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC[C@H](C)O1 ZINC000300071011 384287179 /nfs/dbraw/zinc/28/71/79/384287179.db2.gz QZAYHXANNVUOAI-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000074448175 384288252 /nfs/dbraw/zinc/28/82/52/384288252.db2.gz ZVHZOUXYQRSADX-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2ccc(F)cc2C1 ZINC000074448175 384288258 /nfs/dbraw/zinc/28/82/58/384288258.db2.gz ZVHZOUXYQRSADX-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2nc[nH+]c(N)c2Cl)C1 ZINC000235347702 384350420 /nfs/dbraw/zinc/35/04/20/384350420.db2.gz NNLOQCLMQHQRLE-RNFRBKRXSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2[nH+]cnc(N)c2Cl)C1 ZINC000235347702 384350425 /nfs/dbraw/zinc/35/04/25/384350425.db2.gz NNLOQCLMQHQRLE-RNFRBKRXSA-N 1 2 226.711 1.947 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)CCC(F)(F)F ZINC000084095186 384366408 /nfs/dbraw/zinc/36/64/08/384366408.db2.gz VDECGUJQHFXDNI-MRVPVSSYSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)CCC(F)(F)F ZINC000084095186 384366417 /nfs/dbraw/zinc/36/64/17/384366417.db2.gz VDECGUJQHFXDNI-MRVPVSSYSA-N 1 2 239.237 1.822 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccn[nH]1)C1CC1 ZINC000553283279 384324677 /nfs/dbraw/zinc/32/46/77/384324677.db2.gz SGKVDVDOECBVCV-JTQLQIEISA-N 1 2 245.286 1.024 20 0 BDADLO Nc1ccc(NC(=O)C[C@H]2CCCCO2)c[nH+]1 ZINC000095032415 384327546 /nfs/dbraw/zinc/32/75/46/384327546.db2.gz UFALYTMXVNOYTR-SNVBAGLBSA-N 1 2 235.287 1.562 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccccc1F)C(=O)OC ZINC000134922095 384399973 /nfs/dbraw/zinc/39/99/73/384399973.db2.gz MCKFLVFFCIWHIT-GFCCVEGCSA-N 1 2 239.290 1.909 20 0 BDADLO O=C(C1CC1)N1CCC[N@H+](Cc2ccon2)CC1 ZINC000121587544 384427054 /nfs/dbraw/zinc/42/70/54/384427054.db2.gz FQUPTUHHUPYNOZ-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccon2)CC1 ZINC000121587544 384427061 /nfs/dbraw/zinc/42/70/61/384427061.db2.gz FQUPTUHHUPYNOZ-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO C[C@H]([NH2+]Cc1cccs1)c1ncn(C)n1 ZINC000275827569 384418969 /nfs/dbraw/zinc/41/89/69/384418969.db2.gz NULOVMBTXIUSBV-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CC(C)(C)[N@H+](CC(N)=O)Cc1nccs1 ZINC000135166696 384419192 /nfs/dbraw/zinc/41/91/92/384419192.db2.gz RKXDTVFUUWOOQN-UHFFFAOYSA-N 1 2 227.333 1.229 20 0 BDADLO CC(C)(C)[N@@H+](CC(N)=O)Cc1nccs1 ZINC000135166696 384419196 /nfs/dbraw/zinc/41/91/96/384419196.db2.gz RKXDTVFUUWOOQN-UHFFFAOYSA-N 1 2 227.333 1.229 20 0 BDADLO COCCC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000302599640 384376015 /nfs/dbraw/zinc/37/60/15/384376015.db2.gz IMPGXWWVUGYMQJ-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO COCCC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000302599640 384376019 /nfs/dbraw/zinc/37/60/19/384376019.db2.gz IMPGXWWVUGYMQJ-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(C)c(C)n1 ZINC000314764653 384381826 /nfs/dbraw/zinc/38/18/26/384381826.db2.gz KKJYEIBQPYRHAH-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccno1 ZINC000367983162 384450968 /nfs/dbraw/zinc/45/09/68/384450968.db2.gz OIQDVIHYKUHKQQ-LLVKDONJSA-N 1 2 238.287 1.592 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccno1 ZINC000367983162 384450974 /nfs/dbraw/zinc/45/09/74/384450974.db2.gz OIQDVIHYKUHKQQ-LLVKDONJSA-N 1 2 238.287 1.592 20 0 BDADLO CCO[C@H]1C[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000357941375 384453709 /nfs/dbraw/zinc/45/37/09/384453709.db2.gz YPCSSKBDBLVGAH-ZJUUUORDSA-N 1 2 248.286 1.286 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](CO)C(C)C ZINC000122092117 384457000 /nfs/dbraw/zinc/45/70/00/384457000.db2.gz BCPVHQZPVUWKRR-LLVKDONJSA-N 1 2 237.303 1.528 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC(F)F ZINC000121864889 384441518 /nfs/dbraw/zinc/44/15/18/384441518.db2.gz HBSZMOJWFGWZEU-UHFFFAOYSA-N 1 2 215.203 1.777 20 0 BDADLO c1[nH+]cn2c1CN(c1nc3ccccc3[nH]1)CC2 ZINC000368175296 384469286 /nfs/dbraw/zinc/46/92/86/384469286.db2.gz JURORPFGKGTYIM-UHFFFAOYSA-N 1 2 239.282 1.780 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1CC1)C1CC1 ZINC000556784137 384481578 /nfs/dbraw/zinc/48/15/78/384481578.db2.gz RNSNNJIIYDYXSV-JTQLQIEISA-N 1 2 234.303 1.333 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000249002354 384458457 /nfs/dbraw/zinc/45/84/57/384458457.db2.gz YZDXVHSVNBTBKH-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](C)[C@H]2CO)no1 ZINC000249002354 384458460 /nfs/dbraw/zinc/45/84/60/384458460.db2.gz YZDXVHSVNBTBKH-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)co1 ZINC000161563696 384504121 /nfs/dbraw/zinc/50/41/21/384504121.db2.gz ZTEUQGDCCUSXPI-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO CCCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000170484512 384509114 /nfs/dbraw/zinc/50/91/14/384509114.db2.gz RVNVVDPPJBZLPQ-UHFFFAOYSA-N 1 2 227.333 1.943 20 0 BDADLO Cc1ccn2cc(CNC(=O)NC3CC3)[nH+]c2c1 ZINC000048844643 384511263 /nfs/dbraw/zinc/51/12/63/384511263.db2.gz GMWGDLJOLBSXQK-UHFFFAOYSA-N 1 2 244.298 1.604 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540668 384534578 /nfs/dbraw/zinc/53/45/78/384534578.db2.gz WKVZXGUSWHAFFF-AXFHLTTASA-N 1 2 227.304 1.191 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540668 384534579 /nfs/dbraw/zinc/53/45/79/384534579.db2.gz WKVZXGUSWHAFFF-AXFHLTTASA-N 1 2 227.304 1.191 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H]1CCCCO1 ZINC000122896376 384520918 /nfs/dbraw/zinc/52/09/18/384520918.db2.gz IUYFQIWRLANXDI-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H]1CCCCO1 ZINC000122896376 384520920 /nfs/dbraw/zinc/52/09/20/384520920.db2.gz IUYFQIWRLANXDI-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000248752901 384522191 /nfs/dbraw/zinc/52/21/91/384522191.db2.gz OXQCVFGAGDRSCE-ZWNOBZJWSA-N 1 2 237.299 1.146 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000248752901 384522194 /nfs/dbraw/zinc/52/21/94/384522194.db2.gz OXQCVFGAGDRSCE-ZWNOBZJWSA-N 1 2 237.299 1.146 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000151141801 384542622 /nfs/dbraw/zinc/54/26/22/384542622.db2.gz NXJNDCASAPIAOF-ZETCQYMHSA-N 1 2 215.322 1.734 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000151141801 384542626 /nfs/dbraw/zinc/54/26/26/384542626.db2.gz NXJNDCASAPIAOF-ZETCQYMHSA-N 1 2 215.322 1.734 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000335099567 384547570 /nfs/dbraw/zinc/54/75/70/384547570.db2.gz WWIJIRKKQXFYRC-NXEZZACHSA-N 1 2 239.294 1.565 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000123388050 384555650 /nfs/dbraw/zinc/55/56/50/384555650.db2.gz MHHCDBIWLQJLPZ-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000123388050 384555655 /nfs/dbraw/zinc/55/56/55/384555655.db2.gz MHHCDBIWLQJLPZ-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000151222385 384562045 /nfs/dbraw/zinc/56/20/45/384562045.db2.gz UALNMIMBDVCWOR-GZMMTYOYSA-N 1 2 236.271 1.596 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000335092372 384538546 /nfs/dbraw/zinc/53/85/46/384538546.db2.gz AOSNPQMZFZDSGU-JQWIXIFHSA-N 1 2 235.331 1.863 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C)C[C@H]1CCCO1 ZINC000171351575 384572341 /nfs/dbraw/zinc/57/23/41/384572341.db2.gz KEFBVOVXLXNKFR-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C)C[C@H]1CCCO1 ZINC000171351575 384572346 /nfs/dbraw/zinc/57/23/46/384572346.db2.gz KEFBVOVXLXNKFR-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C)C1 ZINC000569621550 384578742 /nfs/dbraw/zinc/57/87/42/384578742.db2.gz PLQCXMJBVMJJFD-VHSXEESVSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C)C1 ZINC000569621550 384578743 /nfs/dbraw/zinc/57/87/43/384578743.db2.gz PLQCXMJBVMJJFD-VHSXEESVSA-N 1 2 221.304 1.457 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336138508 384584013 /nfs/dbraw/zinc/58/40/13/384584013.db2.gz XCWXCYWFDXPBNN-ZJUUUORDSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336138508 384584020 /nfs/dbraw/zinc/58/40/20/384584020.db2.gz XCWXCYWFDXPBNN-ZJUUUORDSA-N 1 2 221.291 1.980 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000050048743 384587976 /nfs/dbraw/zinc/58/79/76/384587976.db2.gz WUJPBJUFBWBLDF-LBPRGKRZSA-N 1 2 237.274 1.963 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000050048743 384587980 /nfs/dbraw/zinc/58/79/80/384587980.db2.gz WUJPBJUFBWBLDF-LBPRGKRZSA-N 1 2 237.274 1.963 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1csc(C)n1 ZINC000172319632 384566443 /nfs/dbraw/zinc/56/64/43/384566443.db2.gz LEKYVBUHEXIWQQ-MRVPVSSYSA-N 1 2 214.334 1.918 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1csc(C)n1 ZINC000172319632 384566449 /nfs/dbraw/zinc/56/64/49/384566449.db2.gz LEKYVBUHEXIWQQ-MRVPVSSYSA-N 1 2 214.334 1.918 20 0 BDADLO O=C1NCCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000050396726 384621362 /nfs/dbraw/zinc/62/13/62/384621362.db2.gz XYPKPAWCNMWDAA-LBPRGKRZSA-N 1 2 241.294 1.925 20 0 BDADLO CCC[N@H+](CCO)Cc1nc(C(C)C)no1 ZINC000041625028 384631589 /nfs/dbraw/zinc/63/15/89/384631589.db2.gz WBOUKJSKSQYSEE-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CCC[N@@H+](CCO)Cc1nc(C(C)C)no1 ZINC000041625028 384631605 /nfs/dbraw/zinc/63/16/05/384631605.db2.gz WBOUKJSKSQYSEE-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000154257057 384596607 /nfs/dbraw/zinc/59/66/07/384596607.db2.gz GOKNREQMYDODNY-LOMYTOQZSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000154257057 384596613 /nfs/dbraw/zinc/59/66/13/384596613.db2.gz GOKNREQMYDODNY-LOMYTOQZSA-N 1 2 231.723 1.619 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000103148044 384597759 /nfs/dbraw/zinc/59/77/59/384597759.db2.gz IHAOBFOOEKLYES-CYBMUJFWSA-N 1 2 249.310 1.369 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000103148044 384597763 /nfs/dbraw/zinc/59/77/63/384597763.db2.gz IHAOBFOOEKLYES-CYBMUJFWSA-N 1 2 249.310 1.369 20 0 BDADLO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000041015572 384636440 /nfs/dbraw/zinc/63/64/40/384636440.db2.gz JYFPZPIIVCFJED-QWRGUYRKSA-N 1 2 209.293 1.457 20 0 BDADLO Nc1ccc(CNC(=O)N2CCCCCC2)c[nH+]1 ZINC000308384575 384657307 /nfs/dbraw/zinc/65/73/07/384657307.db2.gz FOYJZOLXDCCYIC-UHFFFAOYSA-N 1 2 248.330 1.749 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cc(C)on1)CC2 ZINC000363711123 384723263 /nfs/dbraw/zinc/72/32/63/384723263.db2.gz MVFDEUYXAWXLMA-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000037956974 384684293 /nfs/dbraw/zinc/68/42/93/384684293.db2.gz PDBNMEZVCHWBQW-ZYHUDNBSSA-N 1 2 229.320 1.487 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc(C)ns2)CCO1 ZINC000643886599 384726262 /nfs/dbraw/zinc/72/62/62/384726262.db2.gz IECBXJSTICMVIE-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc(C)ns2)CCO1 ZINC000643886599 384726268 /nfs/dbraw/zinc/72/62/68/384726268.db2.gz IECBXJSTICMVIE-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000051821716 384695222 /nfs/dbraw/zinc/69/52/22/384695222.db2.gz TZRMWLQPSXXKMA-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000051821716 384695225 /nfs/dbraw/zinc/69/52/25/384695225.db2.gz TZRMWLQPSXXKMA-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[N@H+](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000102675544 384722191 /nfs/dbraw/zinc/72/21/91/384722191.db2.gz LDHUUMKBXGRHHQ-JTQLQIEISA-N 1 2 245.369 1.367 20 0 BDADLO C[N@@H+](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000102675544 384722196 /nfs/dbraw/zinc/72/21/96/384722196.db2.gz LDHUUMKBXGRHHQ-JTQLQIEISA-N 1 2 245.369 1.367 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C)C)s1 ZINC000126093288 384731696 /nfs/dbraw/zinc/73/16/96/384731696.db2.gz QRRIOUAYGKSPPO-MRVPVSSYSA-N 1 2 227.333 1.190 20 0 BDADLO COC(=O)CCC(C)(C)[NH2+]Cc1ccn[nH]1 ZINC000309947153 384732058 /nfs/dbraw/zinc/73/20/58/384732058.db2.gz DUCZASIZGBDFFM-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000620077255 384739714 /nfs/dbraw/zinc/73/97/14/384739714.db2.gz CVNFPHULFSRSJF-YGRLFVJLSA-N 1 2 247.342 1.750 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000308489889 384746349 /nfs/dbraw/zinc/74/63/49/384746349.db2.gz QDTNPWFSIWBJGF-CIUDSAMLSA-N 1 2 217.334 1.279 20 0 BDADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(N)=O ZINC000058552284 384749731 /nfs/dbraw/zinc/74/97/31/384749731.db2.gz JQECCGHVUAXIKF-GWCFXTLKSA-N 1 2 244.294 1.832 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000309972725 384752020 /nfs/dbraw/zinc/75/20/20/384752020.db2.gz QJLPVLGMAQCFID-MRVPVSSYSA-N 1 2 233.258 1.573 20 0 BDADLO Cc1cc(N[C@@H]2COC[C@H]2O)nc(C(C)C)[nH+]1 ZINC000323036653 384753867 /nfs/dbraw/zinc/75/38/67/384753867.db2.gz ASYWUMBLMGAZKA-NXEZZACHSA-N 1 2 237.303 1.080 20 0 BDADLO C[N@H+](CCO)Cc1nc(C(C)(C)C)cs1 ZINC000087337934 384766966 /nfs/dbraw/zinc/76/69/66/384766966.db2.gz BVYNVGSZAUVXJA-UHFFFAOYSA-N 1 2 228.361 1.865 20 0 BDADLO C[N@@H+](CCO)Cc1nc(C(C)(C)C)cs1 ZINC000087337934 384766972 /nfs/dbraw/zinc/76/69/72/384766972.db2.gz BVYNVGSZAUVXJA-UHFFFAOYSA-N 1 2 228.361 1.865 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CC1 ZINC000449654159 384827287 /nfs/dbraw/zinc/82/72/87/384827287.db2.gz UYHCXXZYADRYMF-SCZZXKLOSA-N 1 2 246.301 1.394 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(c1)nnn2C ZINC000647236516 384789196 /nfs/dbraw/zinc/78/91/96/384789196.db2.gz PDOZJGKJYWHVIH-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000087416954 384790841 /nfs/dbraw/zinc/79/08/41/384790841.db2.gz UYSATQAEAFNLRB-UDGZVJEDSA-N 1 2 238.114 1.800 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000087416954 384790844 /nfs/dbraw/zinc/79/08/44/384790844.db2.gz UYSATQAEAFNLRB-UDGZVJEDSA-N 1 2 238.114 1.800 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1cccc(F)c1 ZINC000398085985 384795689 /nfs/dbraw/zinc/79/56/89/384795689.db2.gz PWBKJQPZZAJPMT-LLVKDONJSA-N 1 2 249.293 1.590 20 0 BDADLO CCOC(=O)C[N@H+](C)CCSC(C)C ZINC000308553659 384799539 /nfs/dbraw/zinc/79/95/39/384799539.db2.gz REUPDAVQHRHSGF-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCSC(C)C ZINC000308553659 384799543 /nfs/dbraw/zinc/79/95/43/384799543.db2.gz REUPDAVQHRHSGF-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO CC/C=C\CC[NH2+][C@@](C)(COC)C(=O)OC ZINC000310037507 384804128 /nfs/dbraw/zinc/80/41/28/384804128.db2.gz VETGPVXPTOFDRB-DGMVEKRQSA-N 1 2 229.320 1.510 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000644421402 384876866 /nfs/dbraw/zinc/87/68/66/384876866.db2.gz IJMPAAHDRJEXQR-APPZFPTMSA-N 1 2 249.236 1.345 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C=CCCC1 ZINC000159201551 384881671 /nfs/dbraw/zinc/88/16/71/384881671.db2.gz XTINSIQUYRZGDG-LLVKDONJSA-N 1 2 234.303 1.291 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636454244 384884267 /nfs/dbraw/zinc/88/42/67/384884267.db2.gz ZDRSXKIMVNMYKL-NXEZZACHSA-N 1 2 236.319 1.296 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1csnn1 ZINC000398286188 384887637 /nfs/dbraw/zinc/88/76/37/384887637.db2.gz YTKJBHWWYHREMW-ZETCQYMHSA-N 1 2 223.305 1.420 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccnc1 ZINC000186365398 384839103 /nfs/dbraw/zinc/83/91/03/384839103.db2.gz UZPRFMWZCRXPIS-ZDUSSCGKSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccnc1 ZINC000186365398 384839113 /nfs/dbraw/zinc/83/91/13/384839113.db2.gz UZPRFMWZCRXPIS-ZDUSSCGKSA-N 1 2 234.299 1.609 20 0 BDADLO Nc1ccc(NC(=O)CCC(F)(F)F)c[nH+]1 ZINC000084124231 384840152 /nfs/dbraw/zinc/84/01/52/384840152.db2.gz GJAVAUVQEIMBMZ-UHFFFAOYSA-N 1 2 233.193 1.945 20 0 BDADLO c1ccc2[nH+]c(NC[C@@H]3[C@H]4COC[C@H]43)ccc2c1 ZINC000376184172 384845305 /nfs/dbraw/zinc/84/53/05/384845305.db2.gz JUPLJKZMZOXXSW-XYYAHUGASA-N 1 2 240.306 1.961 20 0 BDADLO Cn1c[nH+]cc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000294443788 384846248 /nfs/dbraw/zinc/84/62/48/384846248.db2.gz RGUGITGUNQDGBS-NSHDSACASA-N 1 2 246.318 1.265 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000087786051 384850538 /nfs/dbraw/zinc/85/05/38/384850538.db2.gz HQSVUJAKWCITEJ-RKDXNWHRSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)CSC)C(=O)OC ZINC000127286513 384857093 /nfs/dbraw/zinc/85/70/93/384857093.db2.gz IYBUZGQRDVVUDI-YUMQZZPRSA-N 1 2 205.323 1.279 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)ccc1O ZINC000335214305 384861328 /nfs/dbraw/zinc/86/13/28/384861328.db2.gz ABYGBTPZEPJZST-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1cc(C)[nH+]cn1 ZINC000301278226 384867766 /nfs/dbraw/zinc/86/77/66/384867766.db2.gz ZIQMXXULOPILFH-PSASIEDQSA-N 1 2 209.293 1.604 20 0 BDADLO CC[C@@H](C)[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000301271513 384868570 /nfs/dbraw/zinc/86/85/70/384868570.db2.gz XPGNGYZJIIGHAD-BXKDBHETSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1nocc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000402558780 384954475 /nfs/dbraw/zinc/95/44/75/384954475.db2.gz IIYZWVNFNGDMOJ-SSDOTTSWSA-N 1 2 220.232 1.197 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1n[nH]c2c1CCC2 ZINC000107285216 384958101 /nfs/dbraw/zinc/95/81/01/384958101.db2.gz YXOKGTMHFYATSI-UHFFFAOYSA-N 1 2 242.282 1.854 20 0 BDADLO O=C(CCC1CCC1)NCCn1cc[nH+]c1 ZINC000175364395 384900025 /nfs/dbraw/zinc/90/00/25/384900025.db2.gz HMAHZGJVSLMITI-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO COC(=O)C1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000127507197 384907193 /nfs/dbraw/zinc/90/71/93/384907193.db2.gz LKLQVJWKBIHWOP-UHFFFAOYSA-N 1 2 234.255 1.282 20 0 BDADLO O=C(C[NH+]1Cc2ccccc2C1)N1CCCC1 ZINC000106304774 384907180 /nfs/dbraw/zinc/90/71/80/384907180.db2.gz BHKUJSWRLHCFTO-UHFFFAOYSA-N 1 2 230.311 1.625 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCC(F)F ZINC000106405239 384913441 /nfs/dbraw/zinc/91/34/41/384913441.db2.gz ZSTQYSBZVOTQEX-UHFFFAOYSA-N 1 2 230.243 1.721 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000336272824 384915102 /nfs/dbraw/zinc/91/51/02/384915102.db2.gz CXOBQWQGDIFBJM-NEPJUHHUSA-N 1 2 247.404 1.788 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000336272824 384915114 /nfs/dbraw/zinc/91/51/14/384915114.db2.gz CXOBQWQGDIFBJM-NEPJUHHUSA-N 1 2 247.404 1.788 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cscn1 ZINC000127829362 384919683 /nfs/dbraw/zinc/91/96/83/384919683.db2.gz ONZFXFHOXIWDJW-FSPLSTOPSA-N 1 2 240.250 1.717 20 0 BDADLO Cn1c[nH+]cc1CSc1nnc(N)s1 ZINC000085191554 384924120 /nfs/dbraw/zinc/92/41/20/384924120.db2.gz YFJDIWNQKLHIGD-UHFFFAOYSA-N 1 2 227.318 1.146 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000187308038 384933689 /nfs/dbraw/zinc/93/36/89/384933689.db2.gz HRALRBPOUPBXLQ-CQSZACIVSA-N 1 2 247.342 1.572 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000187308038 384933699 /nfs/dbraw/zinc/93/36/99/384933699.db2.gz HRALRBPOUPBXLQ-CQSZACIVSA-N 1 2 247.342 1.572 20 0 BDADLO COC(=O)c1occc1C[N@H+](C)[C@H]1CCOC1 ZINC000106881595 384938644 /nfs/dbraw/zinc/93/86/44/384938644.db2.gz QEXQYXUEMUZXLE-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1occc1C[N@@H+](C)[C@H]1CCOC1 ZINC000106881595 384938651 /nfs/dbraw/zinc/93/86/51/384938651.db2.gz QEXQYXUEMUZXLE-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)c1ccoc1 ZINC000087289821 384939100 /nfs/dbraw/zinc/93/91/00/384939100.db2.gz KTYMQCMIPUUTRN-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO CCN(CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057757735 384964857 /nfs/dbraw/zinc/96/48/57/384964857.db2.gz IIAZIAFOIOQQIU-UHFFFAOYSA-N 1 2 217.272 1.816 20 0 BDADLO O=C1NC[C@@H]2C[N@H+](Cc3ccccc3F)CCN12 ZINC000175917607 384982469 /nfs/dbraw/zinc/98/24/69/384982469.db2.gz ISUGJPNKDBKBBU-LLVKDONJSA-N 1 2 249.289 1.035 20 0 BDADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccccc3F)CCN12 ZINC000175917607 384982475 /nfs/dbraw/zinc/98/24/75/384982475.db2.gz ISUGJPNKDBKBBU-LLVKDONJSA-N 1 2 249.289 1.035 20 0 BDADLO COC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC000129546704 385004050 /nfs/dbraw/zinc/00/40/50/385004050.db2.gz NEOGLMWOBCMJLH-SNVBAGLBSA-N 1 2 207.277 1.622 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000336681376 385004101 /nfs/dbraw/zinc/00/41/01/385004101.db2.gz JBLDHPWZRQZMRS-VIFPVBQESA-N 1 2 211.261 1.581 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000336681376 385004108 /nfs/dbraw/zinc/00/41/08/385004108.db2.gz JBLDHPWZRQZMRS-VIFPVBQESA-N 1 2 211.261 1.581 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]cn2C)nc1 ZINC000188569128 385067527 /nfs/dbraw/zinc/06/75/27/385067527.db2.gz VLHANOXLROTBOB-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO O=C(Nc1cccnc1)c1ccc2[nH+]ccn2c1 ZINC000057825330 385074591 /nfs/dbraw/zinc/07/45/91/385074591.db2.gz LQMPAGYEMKYWAO-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO C/C(=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000176407605 385079125 /nfs/dbraw/zinc/07/91/25/385079125.db2.gz GIZQVBPGLXNPPO-WBOGTDJTSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000176228490 385044138 /nfs/dbraw/zinc/04/41/38/385044138.db2.gz MFYBGXVNYVNWEA-UHFFFAOYSA-N 1 2 248.326 1.817 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OCC ZINC000312989239 385046609 /nfs/dbraw/zinc/04/66/09/385046609.db2.gz KQJHRNAAIHUGGB-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC1(C)C ZINC000530859975 385115023 /nfs/dbraw/zinc/11/50/23/385115023.db2.gz FCKXBHNQFFFBKV-SNVBAGLBSA-N 1 2 236.319 1.466 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CCC[C@H]2O)c1Cl ZINC000236392201 385117254 /nfs/dbraw/zinc/11/72/54/385117254.db2.gz ZTOASEQNQSAUBX-NKWVEPMBSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CCC[C@H]2O)c1Cl ZINC000236392201 385117256 /nfs/dbraw/zinc/11/72/56/385117256.db2.gz ZTOASEQNQSAUBX-NKWVEPMBSA-N 1 2 242.710 1.285 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc[nH]1 ZINC000491953632 385121413 /nfs/dbraw/zinc/12/14/13/385121413.db2.gz KNPOYZPIQHPLPP-ZWNMCFTASA-N 1 2 244.298 1.429 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)c[nH+]1 ZINC000151677598 385122871 /nfs/dbraw/zinc/12/28/71/385122871.db2.gz BGGNOAMBUAXFOB-UTLUCORTSA-N 1 2 233.271 1.170 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000189261621 385136999 /nfs/dbraw/zinc/13/69/99/385136999.db2.gz VXUNVFVEAPIIFV-RYUDHWBXSA-N 1 2 249.314 1.815 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000407955387 385137646 /nfs/dbraw/zinc/13/76/46/385137646.db2.gz RDJHHNFKLSBFKL-WPRPVWTQSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000407955387 385137656 /nfs/dbraw/zinc/13/76/56/385137656.db2.gz RDJHHNFKLSBFKL-WPRPVWTQSA-N 1 2 235.335 1.268 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)OC ZINC000189236463 385138106 /nfs/dbraw/zinc/13/81/06/385138106.db2.gz QLSRWVUSRYBDOS-VHSXEESVSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)ncn1 ZINC000644677157 385088833 /nfs/dbraw/zinc/08/88/33/385088833.db2.gz WOLCXQGOYVEISM-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)ncn1 ZINC000644677157 385088842 /nfs/dbraw/zinc/08/88/42/385088842.db2.gz WOLCXQGOYVEISM-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cn1nncc1CNc1ccc2ccccc2[nH+]1 ZINC000340993469 385098464 /nfs/dbraw/zinc/09/84/64/385098464.db2.gz LKUWAVLKPQVZKI-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO CC[C@H]1CCN1C(=O)NCc1c[nH+]cn1C ZINC000292012882 385099421 /nfs/dbraw/zinc/09/94/21/385099421.db2.gz MVKKBONLELITTI-VIFPVBQESA-N 1 2 222.292 1.114 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ncnn2C)s1 ZINC000177112733 385184209 /nfs/dbraw/zinc/18/42/09/385184209.db2.gz WVAJQOYFZZUMJF-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ncnn2C)s1 ZINC000177112733 385184215 /nfs/dbraw/zinc/18/42/15/385184215.db2.gz WVAJQOYFZZUMJF-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000063000464 385202493 /nfs/dbraw/zinc/20/24/93/385202493.db2.gz NTNQNOIYMJIORP-LBPRGKRZSA-N 1 2 231.299 1.243 20 0 BDADLO CCNc1ccccc1C[NH+]1CCOCC1 ZINC000089104211 385186788 /nfs/dbraw/zinc/18/67/88/385186788.db2.gz UEYKNNXLPAWCHJ-UHFFFAOYSA-N 1 2 220.316 1.951 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccco1 ZINC000189989530 385201849 /nfs/dbraw/zinc/20/18/49/385201849.db2.gz NIBUCAGLKAJARZ-GFCCVEGCSA-N 1 2 223.272 1.807 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccco1 ZINC000189989530 385201858 /nfs/dbraw/zinc/20/18/58/385201858.db2.gz NIBUCAGLKAJARZ-GFCCVEGCSA-N 1 2 223.272 1.807 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000189869963 385191501 /nfs/dbraw/zinc/19/15/01/385191501.db2.gz YVEDXEHAXPKPOO-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(C)c1 ZINC000189869963 385191508 /nfs/dbraw/zinc/19/15/08/385191508.db2.gz YVEDXEHAXPKPOO-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO CC[C@@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000647054729 385192396 /nfs/dbraw/zinc/19/23/96/385192396.db2.gz QYGXSWXRLXIBDJ-LLVKDONJSA-N 1 2 221.304 1.674 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000109832676 385192729 /nfs/dbraw/zinc/19/27/29/385192729.db2.gz IBLAGPRSNFDGJP-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000109832676 385192733 /nfs/dbraw/zinc/19/27/33/385192733.db2.gz IBLAGPRSNFDGJP-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C)o1 ZINC000189937599 385199637 /nfs/dbraw/zinc/19/96/37/385199637.db2.gz HYLLSKZOBHGHEG-DTWKUNHWSA-N 1 2 235.291 1.523 20 0 BDADLO COc1ccnc(CN[C@@H](C)c2[nH]cc[nH+]2)n1 ZINC000424309881 385143655 /nfs/dbraw/zinc/14/36/55/385143655.db2.gz RKDKRZYICQRTRV-QMMMGPOBSA-N 1 2 233.275 1.059 20 0 BDADLO Cc1ccc(NC(=O)NC[C@@H](C)O)c(C)[nH+]1 ZINC000176767074 385145879 /nfs/dbraw/zinc/14/58/79/385145879.db2.gz RNZXGQNKFKVMTH-MRVPVSSYSA-N 1 2 223.276 1.201 20 0 BDADLO Nc1ncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000227478614 385147623 /nfs/dbraw/zinc/14/76/23/385147623.db2.gz VDCSCENOAZGZJK-ZJUUUORDSA-N 1 2 239.344 1.479 20 0 BDADLO Nc1ncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000227478614 385147628 /nfs/dbraw/zinc/14/76/28/385147628.db2.gz VDCSCENOAZGZJK-ZJUUUORDSA-N 1 2 239.344 1.479 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1nccs1 ZINC000113349398 385147862 /nfs/dbraw/zinc/14/78/62/385147862.db2.gz GFTCFJIOQFTQIY-MRVPVSSYSA-N 1 2 248.373 1.056 20 0 BDADLO CCN(CCC(=O)OC)c1cc[nH+]c(C2CC2)n1 ZINC000152047706 385151148 /nfs/dbraw/zinc/15/11/48/385151148.db2.gz SKKWLFBEXOIMPZ-UHFFFAOYSA-N 1 2 249.314 1.743 20 0 BDADLO COC(=O)C(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000129463506 385151969 /nfs/dbraw/zinc/15/19/69/385151969.db2.gz SFZVJDQLHQXLIA-UHFFFAOYSA-N 1 2 249.314 1.965 20 0 BDADLO CCN(CCO)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152195326 385160567 /nfs/dbraw/zinc/16/05/67/385160567.db2.gz XZQVZODLTMLYSH-UHFFFAOYSA-N 1 2 237.303 1.545 20 0 BDADLO CN(CC(=O)OC(C)(C)C)Cc1c[nH+]cn1C ZINC000177036068 385170923 /nfs/dbraw/zinc/17/09/23/385170923.db2.gz ZDZFZEHLSYFFBZ-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C2(C)CCC2)CCO1 ZINC000530926325 385175576 /nfs/dbraw/zinc/17/55/76/385175576.db2.gz UVICWZUGTSQLAQ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C)CCC2)CCO1 ZINC000530926325 385175578 /nfs/dbraw/zinc/17/55/78/385175578.db2.gz UVICWZUGTSQLAQ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccsc1Cl ZINC000308854391 385215781 /nfs/dbraw/zinc/21/57/81/385215781.db2.gz KHUXBLUBVQBQNT-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO Cc1ccoc1CNC(=O)NCc1c[nH+]cn1C ZINC000292087165 385218467 /nfs/dbraw/zinc/21/84/67/385218467.db2.gz RWYCXDMVETXKTJ-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000644786192 385220188 /nfs/dbraw/zinc/22/01/88/385220188.db2.gz KCAXCBCHPZZGHH-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000644786192 385220193 /nfs/dbraw/zinc/22/01/93/385220193.db2.gz KCAXCBCHPZZGHH-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO C[C@@H](CO)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000152971051 385226045 /nfs/dbraw/zinc/22/60/45/385226045.db2.gz QHZTYDAJAXJQEJ-QMMMGPOBSA-N 1 2 207.277 1.171 20 0 BDADLO Nc1cc(C[NH+]2CCOCC2)ccc1F ZINC000259240705 385238890 /nfs/dbraw/zinc/23/88/90/385238890.db2.gz DWMYMGOZEOBZCK-UHFFFAOYSA-N 1 2 210.252 1.240 20 0 BDADLO c1ccc(N2CCC(C3OCCO3)CC2)[nH+]c1 ZINC000110473947 385239942 /nfs/dbraw/zinc/23/99/42/385239942.db2.gz SKMGULMNCLHBOX-UHFFFAOYSA-N 1 2 234.299 1.671 20 0 BDADLO Cc1cc(C[N@H+](C)CCn2cccn2)no1 ZINC000064141061 385246626 /nfs/dbraw/zinc/24/66/26/385246626.db2.gz XCPDOVBEVUHQQR-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO Cc1cc(C[N@@H+](C)CCn2cccn2)no1 ZINC000064141061 385246633 /nfs/dbraw/zinc/24/66/33/385246633.db2.gz XCPDOVBEVUHQQR-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO CN(CCn1cccn1)c1cc[nH+]c(C2CC2)n1 ZINC000110599126 385247923 /nfs/dbraw/zinc/24/79/23/385247923.db2.gz IUPYHWJJLXUYMD-UHFFFAOYSA-N 1 2 243.314 1.687 20 0 BDADLO OCCC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000558113543 385315027 /nfs/dbraw/zinc/31/50/27/385315027.db2.gz VPSYPLSPHMGMPS-UHFFFAOYSA-N 1 2 247.342 1.953 20 0 BDADLO Cc1ccc(N[C@H]2CCCNC(=O)C2)c[nH+]1 ZINC000164861160 385317471 /nfs/dbraw/zinc/31/74/71/385317471.db2.gz ZMZVUSHCDPYZDM-JTQLQIEISA-N 1 2 219.288 1.471 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccncc1F ZINC000648357836 385320258 /nfs/dbraw/zinc/32/02/58/385320258.db2.gz VEGOINKSROJSQX-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccncc1F ZINC000648357836 385320263 /nfs/dbraw/zinc/32/02/63/385320263.db2.gz VEGOINKSROJSQX-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO Cn1cc(CNc2nc[nH+]c(N)c2Cl)cn1 ZINC000227848589 385259082 /nfs/dbraw/zinc/25/90/82/385259082.db2.gz JYIDBQNWKDVQEQ-UHFFFAOYSA-N 1 2 238.682 1.058 20 0 BDADLO Cn1cc(CNc2[nH+]cnc(N)c2Cl)cn1 ZINC000227848589 385259086 /nfs/dbraw/zinc/25/90/86/385259086.db2.gz JYIDBQNWKDVQEQ-UHFFFAOYSA-N 1 2 238.682 1.058 20 0 BDADLO COC[C@H](NCc1[nH+]ccn1C)c1ccco1 ZINC000177571784 385264668 /nfs/dbraw/zinc/26/46/68/385264668.db2.gz YHBHYLGYVHPXAY-JTQLQIEISA-N 1 2 235.287 1.490 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000130689817 385274192 /nfs/dbraw/zinc/27/41/92/385274192.db2.gz BTAYRYSLKUIJQD-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO Cc1csc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000130689817 385274199 /nfs/dbraw/zinc/27/41/99/385274199.db2.gz BTAYRYSLKUIJQD-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO COC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000308909985 385283892 /nfs/dbraw/zinc/28/38/92/385283892.db2.gz DMCASSXYNGKJGX-ZETCQYMHSA-N 1 2 227.226 1.726 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000407981429 385289403 /nfs/dbraw/zinc/28/94/03/385289403.db2.gz BYVJYWIHPPMANT-UHFFFAOYSA-N 1 2 245.286 1.084 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192074880 385343476 /nfs/dbraw/zinc/34/34/76/385343476.db2.gz PJROZESQQOHCMG-QMMMGPOBSA-N 1 2 241.364 1.364 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000192074880 385343479 /nfs/dbraw/zinc/34/34/79/385343479.db2.gz PJROZESQQOHCMG-QMMMGPOBSA-N 1 2 241.364 1.364 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1O ZINC000335358912 385347094 /nfs/dbraw/zinc/34/70/94/385347094.db2.gz JFMAEFAQVXQRMY-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1O ZINC000335358912 385347102 /nfs/dbraw/zinc/34/71/02/385347102.db2.gz JFMAEFAQVXQRMY-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000643983687 385350541 /nfs/dbraw/zinc/35/05/41/385350541.db2.gz QXBXGZMCSMWVTE-SVRRBLITSA-N 1 2 213.306 1.058 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccon1 ZINC000154864379 385361614 /nfs/dbraw/zinc/36/16/14/385361614.db2.gz MUCMLEWABOKDIY-UHFFFAOYSA-N 1 2 234.259 1.033 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1csc(C)n1 ZINC000120580084 385363525 /nfs/dbraw/zinc/36/35/25/385363525.db2.gz BYMLYTYDQUYELG-UHFFFAOYSA-N 1 2 242.344 1.535 20 0 BDADLO c1cc(C[N@@H+]2CCc3ccccc3C2)n[nH]1 ZINC000154427042 385325078 /nfs/dbraw/zinc/32/50/78/385325078.db2.gz ZNIDJONXXJNFKQ-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO c1cc(C[N@H+]2CCc3ccccc3C2)n[nH]1 ZINC000154427042 385325082 /nfs/dbraw/zinc/32/50/82/385325082.db2.gz ZNIDJONXXJNFKQ-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H](OC)C1CC1)C1CC1 ZINC000400249720 385399017 /nfs/dbraw/zinc/39/90/17/385399017.db2.gz NIVZYAYWFTWWPF-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H](OC)C1CC1)C1CC1 ZINC000400249720 385399022 /nfs/dbraw/zinc/39/90/22/385399022.db2.gz NIVZYAYWFTWWPF-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO COc1nccnc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000449023916 385401617 /nfs/dbraw/zinc/40/16/17/385401617.db2.gz WGTKQQBNQRWHET-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000449023916 385401622 /nfs/dbraw/zinc/40/16/22/385401622.db2.gz WGTKQQBNQRWHET-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCOC1 ZINC000181022124 385402022 /nfs/dbraw/zinc/40/20/22/385402022.db2.gz QRFPGDZPBIRJCG-WDEREUQCSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(c1ccon1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000408014419 385407114 /nfs/dbraw/zinc/40/71/14/385407114.db2.gz VPPUMDCFUQWIOH-SECBINFHSA-N 1 2 246.270 1.418 20 0 BDADLO c1cncc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193699958 385408453 /nfs/dbraw/zinc/40/84/53/385408453.db2.gz SJVXMJUXSKPQKJ-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO c1cncc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193699958 385408455 /nfs/dbraw/zinc/40/84/55/385408455.db2.gz SJVXMJUXSKPQKJ-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC23CCOCC3)cc[nH+]1 ZINC000364394322 385408526 /nfs/dbraw/zinc/40/85/26/385408526.db2.gz VAZVWUYFZKRUEN-LBPRGKRZSA-N 1 2 246.310 1.567 20 0 BDADLO c1cncc(CC[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000193731363 385408689 /nfs/dbraw/zinc/40/86/89/385408689.db2.gz YGDUXXHJPROEJG-CQSZACIVSA-N 1 2 248.326 1.115 20 0 BDADLO c1cncc(CC[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193731363 385408697 /nfs/dbraw/zinc/40/86/97/385408697.db2.gz YGDUXXHJPROEJG-CQSZACIVSA-N 1 2 248.326 1.115 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC(F)F)[nH+]1 ZINC000309092299 385414028 /nfs/dbraw/zinc/41/40/28/385414028.db2.gz CNPPLXSUJDWKJN-UHFFFAOYSA-N 1 2 212.203 1.943 20 0 BDADLO Cc1nc(C[NH2+][C@H](C(N)=O)C(C)(C)C)cs1 ZINC000120742862 385414527 /nfs/dbraw/zinc/41/45/27/385414527.db2.gz BQZPLJDBMUHWHY-SECBINFHSA-N 1 2 241.360 1.441 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCNC(=O)[C@H]2CCC)cn1 ZINC000194029907 385420477 /nfs/dbraw/zinc/42/04/77/385420477.db2.gz WPCUOLFSERYYQQ-GFCCVEGCSA-N 1 2 248.330 1.084 20 0 BDADLO C=Cn1cc(C[N@H+]2CCNC(=O)[C@H]2CCC)cn1 ZINC000194029907 385420478 /nfs/dbraw/zinc/42/04/78/385420478.db2.gz WPCUOLFSERYYQQ-GFCCVEGCSA-N 1 2 248.330 1.084 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@](C)(CC)C2)cn1 ZINC000194831199 385448855 /nfs/dbraw/zinc/44/88/55/385448855.db2.gz CTHMOIXFOXQICF-ZDUSSCGKSA-N 1 2 235.331 1.985 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@](C)(CC)C2)cn1 ZINC000194831199 385448859 /nfs/dbraw/zinc/44/88/59/385448859.db2.gz CTHMOIXFOXQICF-ZDUSSCGKSA-N 1 2 235.331 1.985 20 0 BDADLO CC[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763014 385427591 /nfs/dbraw/zinc/42/75/91/385427591.db2.gz IQFXKPYMAJGYBH-MVIFTORASA-N 1 2 219.288 1.824 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182270555 385435603 /nfs/dbraw/zinc/43/56/03/385435603.db2.gz WCLDDGSOGLVBRM-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO CC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000156116696 385435969 /nfs/dbraw/zinc/43/59/69/385435969.db2.gz IZOWLFMEMBFCKN-GFCCVEGCSA-N 1 2 237.299 1.940 20 0 BDADLO CC(=O)CC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000156116696 385435975 /nfs/dbraw/zinc/43/59/75/385435975.db2.gz IZOWLFMEMBFCKN-GFCCVEGCSA-N 1 2 237.299 1.940 20 0 BDADLO Cc1ccn(C)c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927924 385488255 /nfs/dbraw/zinc/48/82/55/385488255.db2.gz UDNFRVPXFGOSTI-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO Cc1ccn(C)c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927924 385488260 /nfs/dbraw/zinc/48/82/60/385488260.db2.gz UDNFRVPXFGOSTI-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO CN(CC(=O)Nc1ccccc1)Cc1[nH]cc[nH+]1 ZINC000109829912 385488300 /nfs/dbraw/zinc/48/83/00/385488300.db2.gz OTPJODAZFZYLHH-UHFFFAOYSA-N 1 2 244.298 1.480 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnn1C ZINC000179567888 385473156 /nfs/dbraw/zinc/47/31/56/385473156.db2.gz XOAQBSUWLRYZIZ-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnn1C ZINC000179567888 385473159 /nfs/dbraw/zinc/47/31/59/385473159.db2.gz XOAQBSUWLRYZIZ-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC(C)(C)C ZINC000449059047 385484002 /nfs/dbraw/zinc/48/40/02/385484002.db2.gz OGVZNVBIFHGYHY-LMLFDSFASA-N 1 2 243.347 1.872 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000281919308 385459334 /nfs/dbraw/zinc/45/93/34/385459334.db2.gz AJRYEVZDQSOJFE-VIFPVBQESA-N 1 2 225.292 1.112 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccnc1C ZINC000309234707 385490942 /nfs/dbraw/zinc/49/09/42/385490942.db2.gz LIRDJYSDIBOLBV-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccnc1C ZINC000309234707 385490943 /nfs/dbraw/zinc/49/09/43/385490943.db2.gz LIRDJYSDIBOLBV-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](O)C2)cc[nH+]1 ZINC000110540341 385494138 /nfs/dbraw/zinc/49/41/38/385494138.db2.gz MKFHIMNLJDRHNJ-SECBINFHSA-N 1 2 207.277 1.171 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000111274086 385498045 /nfs/dbraw/zinc/49/80/45/385498045.db2.gz HYRXTJSNPLGHFZ-QWRGUYRKSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000111274086 385498050 /nfs/dbraw/zinc/49/80/50/385498050.db2.gz HYRXTJSNPLGHFZ-QWRGUYRKSA-N 1 2 228.336 1.010 20 0 BDADLO c1ncn([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000171617379 385501728 /nfs/dbraw/zinc/50/17/28/385501728.db2.gz ZDXPDGQADRNYLS-LLVKDONJSA-N 1 2 249.343 1.572 20 0 BDADLO c1ncn([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000171617379 385501732 /nfs/dbraw/zinc/50/17/32/385501732.db2.gz ZDXPDGQADRNYLS-LLVKDONJSA-N 1 2 249.343 1.572 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C(C)(C)C)C2 ZINC000364744477 385509060 /nfs/dbraw/zinc/50/90/60/385509060.db2.gz AGJIIGFXKCGXMK-SNVBAGLBSA-N 1 2 235.331 1.669 20 0 BDADLO CCCCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000364744503 385509227 /nfs/dbraw/zinc/50/92/27/385509227.db2.gz BLZWUTOKYCVDDQ-LLVKDONJSA-N 1 2 235.331 1.813 20 0 BDADLO CCCCN(CC)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368484501 385509463 /nfs/dbraw/zinc/50/94/63/385509463.db2.gz AADPEHZJGRGDRV-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ncc(C)s1 ZINC000157569220 385509509 /nfs/dbraw/zinc/50/95/09/385509509.db2.gz RJHIOSAYNDNOKV-UHFFFAOYSA-N 1 2 228.317 1.099 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ncc(C)s1 ZINC000157569220 385509511 /nfs/dbraw/zinc/50/95/11/385509511.db2.gz RJHIOSAYNDNOKV-UHFFFAOYSA-N 1 2 228.317 1.099 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccnc(N)c1 ZINC000309286995 385509911 /nfs/dbraw/zinc/50/99/11/385509911.db2.gz OWRTYNASRGXTRT-UHFFFAOYSA-N 1 2 217.276 1.019 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccnc(N)c1 ZINC000309286995 385509913 /nfs/dbraw/zinc/50/99/13/385509913.db2.gz OWRTYNASRGXTRT-UHFFFAOYSA-N 1 2 217.276 1.019 20 0 BDADLO COC(=O)C[NH+]1CCC(n2ccc(C)n2)CC1 ZINC000364890857 385536641 /nfs/dbraw/zinc/53/66/41/385536641.db2.gz WWYFYHDWVDUMAE-UHFFFAOYSA-N 1 2 237.303 1.001 20 0 BDADLO c1ccc(NCCNc2cnccn2)[nH+]c1 ZINC000309337527 385539279 /nfs/dbraw/zinc/53/92/79/385539279.db2.gz KJQQVDNBRLPFDF-UHFFFAOYSA-N 1 2 215.260 1.396 20 0 BDADLO Cc1nn(C)cc1C(=O)Nc1cc[nH+]cc1C ZINC000172020810 385543403 /nfs/dbraw/zinc/54/34/03/385543403.db2.gz JHFHNMOWIPYKNJ-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000334379897 385543649 /nfs/dbraw/zinc/54/36/49/385543649.db2.gz HZXMRJJVBNUFOM-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000334379897 385543655 /nfs/dbraw/zinc/54/36/55/385543655.db2.gz HZXMRJJVBNUFOM-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO c1cn(CCCSc2ncccn2)c[nH+]1 ZINC000180428255 385522569 /nfs/dbraw/zinc/52/25/69/385522569.db2.gz WFICIDTZVUSADS-UHFFFAOYSA-N 1 2 220.301 1.856 20 0 BDADLO COC(=O)C1([NH2+]CCSC)CCCCC1 ZINC000172238325 385525570 /nfs/dbraw/zinc/52/55/70/385525570.db2.gz SNBYSTWDIHWOHE-UHFFFAOYSA-N 1 2 231.361 1.815 20 0 BDADLO Cc1cnc(C(=O)Nc2cc[nH+]cc2C)cn1 ZINC000107293328 385561915 /nfs/dbraw/zinc/56/19/15/385561915.db2.gz QZGVNOUIHQHXPJ-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO C[C@H](O)C[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493380729 385570477 /nfs/dbraw/zinc/57/04/77/385570477.db2.gz GEAJAMXFLOUFBT-NNOMMRTBSA-N 1 2 249.314 1.185 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OC ZINC000309403803 385571452 /nfs/dbraw/zinc/57/14/52/385571452.db2.gz ANIBOLZKZOQVJC-GXSJLCMTSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@H]([NH2+]CCN1CCCCC1)c1ccon1 ZINC000309414152 385573469 /nfs/dbraw/zinc/57/34/69/385573469.db2.gz IZGHGBXXERVCES-NSHDSACASA-N 1 2 223.320 1.811 20 0 BDADLO C[C@@H]([NH2+]CCN1CCCCC1)c1ccon1 ZINC000309414148 385573730 /nfs/dbraw/zinc/57/37/30/385573730.db2.gz IZGHGBXXERVCES-LLVKDONJSA-N 1 2 223.320 1.811 20 0 BDADLO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000354021969 385594970 /nfs/dbraw/zinc/59/49/70/385594970.db2.gz ITZWGXWBHIPACF-VIFPVBQESA-N 1 2 239.323 1.218 20 0 BDADLO CC[N@H+](CCOCC(C)C)Cc1cn(C)nn1 ZINC000337315232 385595258 /nfs/dbraw/zinc/59/52/58/385595258.db2.gz JFONAFFVCYGIFC-UHFFFAOYSA-N 1 2 240.351 1.310 20 0 BDADLO CC[N@@H+](CCOCC(C)C)Cc1cn(C)nn1 ZINC000337315232 385595262 /nfs/dbraw/zinc/59/52/62/385595262.db2.gz JFONAFFVCYGIFC-UHFFFAOYSA-N 1 2 240.351 1.310 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1cccc2[nH+]ccn21 ZINC000280766988 385601883 /nfs/dbraw/zinc/60/18/83/385601883.db2.gz FVRJILJGWBZNAF-SNVBAGLBSA-N 1 2 247.298 1.328 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(CO)cc1 ZINC000280779425 385604044 /nfs/dbraw/zinc/60/40/44/385604044.db2.gz PVWASRIMROBNSU-JTQLQIEISA-N 1 2 237.299 1.172 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(CO)cc1 ZINC000280779425 385604050 /nfs/dbraw/zinc/60/40/50/385604050.db2.gz PVWASRIMROBNSU-JTQLQIEISA-N 1 2 237.299 1.172 20 0 BDADLO COC(=O)C1([NH2+]CCOCC(C)C)CCCC1 ZINC000337293608 385586817 /nfs/dbraw/zinc/58/68/17/385586817.db2.gz HASJZXMSHDIRAY-UHFFFAOYSA-N 1 2 243.347 1.734 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000365065848 385587413 /nfs/dbraw/zinc/58/74/13/385587413.db2.gz GOMQVWGJXSLYJP-KBVBDRTLSA-N 1 2 247.342 1.979 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000408373304 385589830 /nfs/dbraw/zinc/58/98/30/385589830.db2.gz GGKKWPSSNBMSIO-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)[nH]1 ZINC000408373304 385589834 /nfs/dbraw/zinc/58/98/34/385589834.db2.gz GGKKWPSSNBMSIO-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000280966453 385622445 /nfs/dbraw/zinc/62/24/45/385622445.db2.gz KCZCGLNEAXBYJD-MRVPVSSYSA-N 1 2 245.269 1.873 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000280966453 385622452 /nfs/dbraw/zinc/62/24/52/385622452.db2.gz KCZCGLNEAXBYJD-MRVPVSSYSA-N 1 2 245.269 1.873 20 0 BDADLO CC[C@@H](CNc1cc[nH+]c(C(C)C)n1)OC ZINC000336679193 385622542 /nfs/dbraw/zinc/62/25/42/385622542.db2.gz CMIQWRHGEAXYLG-JTQLQIEISA-N 1 2 223.320 1.859 20 0 BDADLO CN(C)c1ccc(CNC(=O)[C@@H]2CC2(C)C)c[nH+]1 ZINC000269673088 385623216 /nfs/dbraw/zinc/62/32/16/385623216.db2.gz BVVYOIAYKTWTNP-NSHDSACASA-N 1 2 247.342 1.810 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000336681374 385636671 /nfs/dbraw/zinc/63/66/71/385636671.db2.gz JBLDHPWZRQZMRS-SECBINFHSA-N 1 2 211.261 1.581 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000336681374 385636674 /nfs/dbraw/zinc/63/66/74/385636674.db2.gz JBLDHPWZRQZMRS-SECBINFHSA-N 1 2 211.261 1.581 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337377653 385630270 /nfs/dbraw/zinc/63/02/70/385630270.db2.gz BTCXQQZHDGDAMI-SFYZADRCSA-N 1 2 237.246 1.299 20 0 BDADLO Cc1cc(C)nc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000269576237 385610163 /nfs/dbraw/zinc/61/01/63/385610163.db2.gz WFTXMQINAYWSHD-UHFFFAOYSA-N 1 2 244.298 1.924 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000281135484 385638783 /nfs/dbraw/zinc/63/87/83/385638783.db2.gz OMMXYCUJWTYNCN-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000281135484 385638788 /nfs/dbraw/zinc/63/87/88/385638788.db2.gz OMMXYCUJWTYNCN-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)o1 ZINC000305760822 385643428 /nfs/dbraw/zinc/64/34/28/385643428.db2.gz KMYLFFZOYCKDIK-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)o1 ZINC000305760822 385643433 /nfs/dbraw/zinc/64/34/33/385643433.db2.gz KMYLFFZOYCKDIK-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000269880061 385645498 /nfs/dbraw/zinc/64/54/98/385645498.db2.gz YKNPDVYTAWWIKF-JTQLQIEISA-N 1 2 233.315 1.656 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2CSC[C@H]2C)no1 ZINC000309521726 385659588 /nfs/dbraw/zinc/65/95/88/385659588.db2.gz AOYHVSHNYUBCJU-BDAKNGLRSA-N 1 2 241.360 1.863 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000337494896 385683451 /nfs/dbraw/zinc/68/34/51/385683451.db2.gz HWQOKHNBTLGURJ-SNVBAGLBSA-N 1 2 237.274 1.788 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000337494896 385683457 /nfs/dbraw/zinc/68/34/57/385683457.db2.gz HWQOKHNBTLGURJ-SNVBAGLBSA-N 1 2 237.274 1.788 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)CCO1 ZINC000645220587 385688802 /nfs/dbraw/zinc/68/88/02/385688802.db2.gz MQRRSEYRIFRASB-NWDGAFQWSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)CCO1 ZINC000645220587 385688807 /nfs/dbraw/zinc/68/88/07/385688807.db2.gz MQRRSEYRIFRASB-NWDGAFQWSA-N 1 2 249.310 1.547 20 0 BDADLO c1nc(N[C@@H]2CCCOC2)cc(NCC2CC2)[nH+]1 ZINC000270302522 385696399 /nfs/dbraw/zinc/69/63/99/385696399.db2.gz PRKLWSBITWOOAS-LLVKDONJSA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC2CC2)cc(N[C@@H]2CCCOC2)[nH+]1 ZINC000270302522 385696407 /nfs/dbraw/zinc/69/64/07/385696407.db2.gz PRKLWSBITWOOAS-LLVKDONJSA-N 1 2 248.330 1.889 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000525836650 385703840 /nfs/dbraw/zinc/70/38/40/385703840.db2.gz ZDNROBYRPBIFAC-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COCC[C@H](COC)Nc1cc[nH+]c(C)n1 ZINC000336687930 385704877 /nfs/dbraw/zinc/70/48/77/385704877.db2.gz VLFYTSYATARMMQ-SNVBAGLBSA-N 1 2 225.292 1.248 20 0 BDADLO C[N@H+](CCCO)Cc1csc(C2CC2)n1 ZINC000281898761 385712545 /nfs/dbraw/zinc/71/25/45/385712545.db2.gz QMLKWSPMLKABHL-UHFFFAOYSA-N 1 2 226.345 1.835 20 0 BDADLO C[N@@H+](CCCO)Cc1csc(C2CC2)n1 ZINC000281898761 385712549 /nfs/dbraw/zinc/71/25/49/385712549.db2.gz QMLKWSPMLKABHL-UHFFFAOYSA-N 1 2 226.345 1.835 20 0 BDADLO Cc1nc(N2CCC[C@](C)(O)CC2)cc[nH+]1 ZINC000230373909 385733234 /nfs/dbraw/zinc/73/32/34/385733234.db2.gz SBLMRJXHWQOVKA-LBPRGKRZSA-N 1 2 221.304 1.526 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nn(C)cc1Cl ZINC000335504475 385738158 /nfs/dbraw/zinc/73/81/58/385738158.db2.gz UFAOYHQZFFOXES-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nn(C)cc1Cl ZINC000335504475 385738162 /nfs/dbraw/zinc/73/81/62/385738162.db2.gz UFAOYHQZFFOXES-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H](O)CNc1cc[nH+]c2ccncc12 ZINC000292459354 385744660 /nfs/dbraw/zinc/74/46/60/385744660.db2.gz ZWKXPYPFMYZJSD-VIFPVBQESA-N 1 2 217.272 1.813 20 0 BDADLO COCC[C@H](COC)Nc1cc(C)[nH+]cn1 ZINC000336696699 385746008 /nfs/dbraw/zinc/74/60/08/385746008.db2.gz YVMRYABAMCXWNJ-SNVBAGLBSA-N 1 2 225.292 1.248 20 0 BDADLO C[C@@H]1OCC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270793284 385746324 /nfs/dbraw/zinc/74/63/24/385746324.db2.gz RWRRLYVHEDMKQA-GXSJLCMTSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1OCC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270793284 385746332 /nfs/dbraw/zinc/74/63/32/385746332.db2.gz RWRRLYVHEDMKQA-GXSJLCMTSA-N 1 2 248.330 1.888 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCOC2(C)C)no1 ZINC000451237956 385748621 /nfs/dbraw/zinc/74/86/21/385748621.db2.gz SGNNCRJFVXNGLF-MRVPVSSYSA-N 1 2 225.292 1.289 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)on1 ZINC000270903261 385758272 /nfs/dbraw/zinc/75/82/72/385758272.db2.gz RMLFBAWJOQQSIT-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCC3)C2)on1 ZINC000270903261 385758275 /nfs/dbraw/zinc/75/82/75/385758275.db2.gz RMLFBAWJOQQSIT-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+](C)Cc1ccc(F)cc1 ZINC000188589885 385787608 /nfs/dbraw/zinc/78/76/08/385787608.db2.gz NZURSPFQUQGHCW-VIFPVBQESA-N 1 2 249.293 1.542 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000188589885 385787612 /nfs/dbraw/zinc/78/76/12/385787612.db2.gz NZURSPFQUQGHCW-VIFPVBQESA-N 1 2 249.293 1.542 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](CC)Cc1ccncc1 ZINC000271056115 385778714 /nfs/dbraw/zinc/77/87/14/385778714.db2.gz ZKSYKCUREWCBLX-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccncc1 ZINC000271056115 385778718 /nfs/dbraw/zinc/77/87/18/385778718.db2.gz ZKSYKCUREWCBLX-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000282698664 385779920 /nfs/dbraw/zinc/77/99/20/385779920.db2.gz FRLVESMWTCJOSO-QMMMGPOBSA-N 1 2 226.345 1.833 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000282698664 385779927 /nfs/dbraw/zinc/77/99/27/385779927.db2.gz FRLVESMWTCJOSO-QMMMGPOBSA-N 1 2 226.345 1.833 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282718632 385780662 /nfs/dbraw/zinc/78/06/62/385780662.db2.gz LIHBXHNUEMWUCB-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282718632 385780669 /nfs/dbraw/zinc/78/06/69/385780669.db2.gz LIHBXHNUEMWUCB-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000271062526 385782155 /nfs/dbraw/zinc/78/21/55/385782155.db2.gz HKJFBJJNWYQQFL-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000271062526 385782157 /nfs/dbraw/zinc/78/21/57/385782157.db2.gz HKJFBJJNWYQQFL-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1C ZINC000282732618 385783190 /nfs/dbraw/zinc/78/31/90/385783190.db2.gz CQJOAFZZCCIONW-BMPPAVAUSA-N 1 2 249.314 1.306 20 0 BDADLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@H]1C ZINC000282732626 385783244 /nfs/dbraw/zinc/78/32/44/385783244.db2.gz CQJOAFZZCCIONW-YGEYTSGZSA-N 1 2 249.314 1.306 20 0 BDADLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@H]1C ZINC000282732621 385783283 /nfs/dbraw/zinc/78/32/83/385783283.db2.gz CQJOAFZZCCIONW-ISBNUJHVSA-N 1 2 249.314 1.306 20 0 BDADLO CC(C)c1cnc(C[NH2+]C2(C(N)=O)CC2)s1 ZINC000185222452 385724509 /nfs/dbraw/zinc/72/45/09/385724509.db2.gz JLHOSARKVSOTBT-UHFFFAOYSA-N 1 2 239.344 1.374 20 0 BDADLO Cn1ccc(C[NH+]2Cc3ccccc3C2)n1 ZINC000271173414 385798087 /nfs/dbraw/zinc/79/80/87/385798087.db2.gz RPPVBOXGHLXHIQ-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO Cn1ncc(C[N@H+](C)Cc2ccc(O)cc2)n1 ZINC000294063273 385798203 /nfs/dbraw/zinc/79/82/03/385798203.db2.gz XXPQBTJVQHBSMR-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1ncc(C[N@@H+](C)Cc2ccc(O)cc2)n1 ZINC000294063273 385798206 /nfs/dbraw/zinc/79/82/06/385798206.db2.gz XXPQBTJVQHBSMR-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)o1 ZINC000271181724 385799796 /nfs/dbraw/zinc/79/97/96/385799796.db2.gz HVIAEPVLCGPCOX-GDLVEWKHSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)o1 ZINC000271181724 385799806 /nfs/dbraw/zinc/79/98/06/385799806.db2.gz HVIAEPVLCGPCOX-GDLVEWKHSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1cnc(CN(C)Cc2[nH+]ccn2C)s1 ZINC000271314514 385816900 /nfs/dbraw/zinc/81/69/00/385816900.db2.gz AMEAQSZHPQWEHW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000337903979 385821777 /nfs/dbraw/zinc/82/17/77/385821777.db2.gz SUOVAMJVYVXZNN-YUMQZZPRSA-N 1 2 243.257 1.280 20 0 BDADLO CSCC[N@H+](C)Cc1cnns1 ZINC000336634678 385822339 /nfs/dbraw/zinc/82/23/39/385822339.db2.gz ANAKUBYMKYYPKD-UHFFFAOYSA-N 1 2 203.336 1.333 20 0 BDADLO CSCC[N@@H+](C)Cc1cnns1 ZINC000336634678 385822343 /nfs/dbraw/zinc/82/23/43/385822343.db2.gz ANAKUBYMKYYPKD-UHFFFAOYSA-N 1 2 203.336 1.333 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CC=CCC1 ZINC000283556935 385822706 /nfs/dbraw/zinc/82/27/06/385822706.db2.gz UMNZHPTWSBHUCL-MLRMMBSGSA-N 1 2 231.299 1.895 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000231844418 385823624 /nfs/dbraw/zinc/82/36/24/385823624.db2.gz KNCMZJYDHFCQQU-IUCAKERBSA-N 1 2 241.360 1.661 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2cnccn2)cs1 ZINC000271406694 385826214 /nfs/dbraw/zinc/82/62/14/385826214.db2.gz XZAABJYCQGZQMH-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2cnccn2)cs1 ZINC000271406694 385826216 /nfs/dbraw/zinc/82/62/16/385826216.db2.gz XZAABJYCQGZQMH-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO CC/C(C)=C/C(=O)NCCCn1cc[nH+]c1 ZINC000294248576 385828113 /nfs/dbraw/zinc/82/81/13/385828113.db2.gz OLLBSHCEFBTMCD-PKNBQFBNSA-N 1 2 221.304 1.746 20 0 BDADLO COc1nccc(C[NH+]2CCSCC2)n1 ZINC000294493922 385857854 /nfs/dbraw/zinc/85/78/54/385857854.db2.gz AHRGYKWUYSHJDW-UHFFFAOYSA-N 1 2 225.317 1.034 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000271465746 385830584 /nfs/dbraw/zinc/83/05/84/385830584.db2.gz FSIAXAQRAQYWSN-LLVKDONJSA-N 1 2 235.331 1.553 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000271465746 385830585 /nfs/dbraw/zinc/83/05/85/385830585.db2.gz FSIAXAQRAQYWSN-LLVKDONJSA-N 1 2 235.331 1.553 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C/C=C/Cl)C2)o1 ZINC000284240986 385857951 /nfs/dbraw/zinc/85/79/51/385857951.db2.gz KUNULVVLMOWVJU-BYDTYLDUSA-N 1 2 243.694 1.295 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C/C=C/Cl)C2)o1 ZINC000284240986 385857952 /nfs/dbraw/zinc/85/79/52/385857952.db2.gz KUNULVVLMOWVJU-BYDTYLDUSA-N 1 2 243.694 1.295 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000413222752 385832663 /nfs/dbraw/zinc/83/26/63/385832663.db2.gz KVJFXBQMGAAHJL-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000413222752 385832668 /nfs/dbraw/zinc/83/26/68/385832668.db2.gz KVJFXBQMGAAHJL-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCc1cscn1 ZINC000283909380 385839253 /nfs/dbraw/zinc/83/92/53/385839253.db2.gz JRJAMUKMXZNICT-JTQLQIEISA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCc1cscn1 ZINC000283909380 385839258 /nfs/dbraw/zinc/83/92/58/385839258.db2.gz JRJAMUKMXZNICT-JTQLQIEISA-N 1 2 240.328 1.323 20 0 BDADLO Cc1nc(CN2CCn3cc[nH+]c3C2)cs1 ZINC000335704187 385841874 /nfs/dbraw/zinc/84/18/74/385841874.db2.gz NLNSZDLOUPTQRG-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000283981592 385845083 /nfs/dbraw/zinc/84/50/83/385845083.db2.gz IXEFFEDDTTZCIN-GFCCVEGCSA-N 1 2 228.299 1.794 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000283981592 385845086 /nfs/dbraw/zinc/84/50/86/385845086.db2.gz IXEFFEDDTTZCIN-GFCCVEGCSA-N 1 2 228.299 1.794 20 0 BDADLO CCCn1ncnc1C[N@H+](CCO)[C@@H](C)CC ZINC000336718777 385845676 /nfs/dbraw/zinc/84/56/76/385845676.db2.gz VHPKMBBSHXYNJL-NSHDSACASA-N 1 2 240.351 1.281 20 0 BDADLO CCCn1ncnc1C[N@@H+](CCO)[C@@H](C)CC ZINC000336718777 385845679 /nfs/dbraw/zinc/84/56/79/385845679.db2.gz VHPKMBBSHXYNJL-NSHDSACASA-N 1 2 240.351 1.281 20 0 BDADLO CCCCN(CCCO)c1cc[nH+]c(C)n1 ZINC000271673069 385846772 /nfs/dbraw/zinc/84/67/72/385846772.db2.gz ILWCZPIUQRWMNC-UHFFFAOYSA-N 1 2 223.320 1.774 20 0 BDADLO CC(C)CCCC(=O)NCCn1cc[nH+]c1 ZINC000294410721 385847207 /nfs/dbraw/zinc/84/72/07/385847207.db2.gz IZCWANXOKVGXRT-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO C[C@@H]1OCC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1C ZINC000121501930 385849249 /nfs/dbraw/zinc/84/92/49/385849249.db2.gz GCYSJLSZTYYJRJ-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1OCC[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1C ZINC000121501930 385849252 /nfs/dbraw/zinc/84/92/52/385849252.db2.gz GCYSJLSZTYYJRJ-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000294458364 385853637 /nfs/dbraw/zinc/85/36/37/385853637.db2.gz LNBSOJSBDTYCMG-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC000365932313 385855175 /nfs/dbraw/zinc/85/51/75/385855175.db2.gz QMULUHRCLAPEMN-MRVPVSSYSA-N 1 2 243.257 1.391 20 0 BDADLO Cc1coc(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000284174532 385855788 /nfs/dbraw/zinc/85/57/88/385855788.db2.gz XPOXRDPSEGTXJI-UHFFFAOYSA-N 1 2 233.271 1.523 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CCCO ZINC000271114367 385788583 /nfs/dbraw/zinc/78/85/83/385788583.db2.gz HHOFVFBSGZJEGQ-JTQLQIEISA-N 1 2 237.303 1.673 20 0 BDADLO CO[C@H](C)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000271126779 385789910 /nfs/dbraw/zinc/78/99/10/385789910.db2.gz LHAHWTGGTBWNNF-SNVBAGLBSA-N 1 2 237.303 1.937 20 0 BDADLO C[C@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282825036 385789979 /nfs/dbraw/zinc/78/99/79/385789979.db2.gz QGTBPCQIDPKCQU-OOPCZODUSA-N 1 2 249.314 1.186 20 0 BDADLO Cc1nc(C[NH2+][C@@H](CO)C2CCCC2)no1 ZINC000309694979 385794646 /nfs/dbraw/zinc/79/46/46/385794646.db2.gz KTBNJJFSLNMXEA-JTQLQIEISA-N 1 2 225.292 1.019 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cccn1C)c1[nH]cc[nH+]1 ZINC000282918610 385797552 /nfs/dbraw/zinc/79/75/52/385797552.db2.gz FQLSHTNANGISJP-LLVKDONJSA-N 1 2 246.314 1.875 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccco2)nn1 ZINC000338255688 385928645 /nfs/dbraw/zinc/92/86/45/385928645.db2.gz SPQGZPMQOVBSNP-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccco2)nn1 ZINC000338255688 385928648 /nfs/dbraw/zinc/92/86/48/385928648.db2.gz SPQGZPMQOVBSNP-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000294711233 385885592 /nfs/dbraw/zinc/88/55/92/385885592.db2.gz FOIRNRWCBHJGDJ-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000294711233 385885595 /nfs/dbraw/zinc/88/55/95/385885595.db2.gz FOIRNRWCBHJGDJ-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)ccc1F ZINC000294718495 385887622 /nfs/dbraw/zinc/88/76/22/385887622.db2.gz CIYNQWAYTMZWSR-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)ccc1F ZINC000294718495 385887624 /nfs/dbraw/zinc/88/76/24/385887624.db2.gz CIYNQWAYTMZWSR-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(N[C@H](C)c2ncc[nH]2)nc(C2CC2)[nH+]1 ZINC000647843530 385893854 /nfs/dbraw/zinc/89/38/54/385893854.db2.gz VKXLEYCDOIWOHQ-SECBINFHSA-N 1 2 243.314 1.981 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000335813910 385894753 /nfs/dbraw/zinc/89/47/53/385894753.db2.gz BQMJKWWNDUTSLG-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000335813910 385894757 /nfs/dbraw/zinc/89/47/57/385894757.db2.gz BQMJKWWNDUTSLG-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO CC(C)(C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338163119 385904579 /nfs/dbraw/zinc/90/45/79/385904579.db2.gz LLONGXBCUIWAFW-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO O=C1C[C@@H](CNc2cccc[nH+]2)CN1C1CC1 ZINC000272542404 385910427 /nfs/dbraw/zinc/91/04/27/385910427.db2.gz SAHXNIDZIZYPDI-JTQLQIEISA-N 1 2 231.299 1.504 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000272570504 385913695 /nfs/dbraw/zinc/91/36/95/385913695.db2.gz RXTPFFDHNITDJI-RKDXNWHRSA-N 1 2 209.293 1.708 20 0 BDADLO COCC[C@H]([NH2+]Cc1nccn1C)c1ccco1 ZINC000272636949 385920610 /nfs/dbraw/zinc/92/06/10/385920610.db2.gz YOQVEDMTUHXDQB-NSHDSACASA-N 1 2 249.314 1.881 20 0 BDADLO C[N@H+](Cc1c(F)cccc1F)[C@@H]1COC[C@H]1O ZINC000285381031 385922273 /nfs/dbraw/zinc/92/22/73/385922273.db2.gz BMOFPXYDAUWVAP-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO C[N@@H+](Cc1c(F)cccc1F)[C@@H]1COC[C@H]1O ZINC000285381031 385922278 /nfs/dbraw/zinc/92/22/78/385922278.db2.gz BMOFPXYDAUWVAP-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO Cc1cc(C[NH2+]Cc2snnc2C)no1 ZINC000308974008 385924933 /nfs/dbraw/zinc/92/49/33/385924933.db2.gz HOGSUKCXQDVDIQ-UHFFFAOYSA-N 1 2 224.289 1.433 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c[nH+]1 ZINC000335036208 385925578 /nfs/dbraw/zinc/92/55/78/385925578.db2.gz ACCYOVDHQFXLAC-RKDXNWHRSA-N 1 2 237.278 1.961 20 0 BDADLO CC[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284289447 385859527 /nfs/dbraw/zinc/85/95/27/385859527.db2.gz FYFUEEAZRVZLGQ-FSIBCCDJSA-N 1 2 219.288 1.681 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)C[C@H]1CCCO1 ZINC000294547360 385865721 /nfs/dbraw/zinc/86/57/21/385865721.db2.gz KAJMMLCALJTEOL-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)C[C@H]1CCCO1 ZINC000294547360 385865724 /nfs/dbraw/zinc/86/57/24/385865724.db2.gz KAJMMLCALJTEOL-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CN(CCOCC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284397232 385866980 /nfs/dbraw/zinc/86/69/80/385866980.db2.gz NBMSCTKINLLETC-SNAWJCMRSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)cs1 ZINC000294614231 385873411 /nfs/dbraw/zinc/87/34/11/385873411.db2.gz XAPXGNSGVIHCFM-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC2CC2)cs1 ZINC000294614231 385873418 /nfs/dbraw/zinc/87/34/18/385873418.db2.gz XAPXGNSGVIHCFM-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO CC1(C)C(C(=O)N2CCc3[nH]c[nH+]c3C2)C1(C)C ZINC000647735981 385878583 /nfs/dbraw/zinc/87/85/83/385878583.db2.gz UMYYDRVZYHWTNU-UHFFFAOYSA-N 1 2 247.342 1.977 20 0 BDADLO CC1(C)C(C(=O)N2CCc3[nH+]c[nH]c3C2)C1(C)C ZINC000647735981 385878584 /nfs/dbraw/zinc/87/85/84/385878584.db2.gz UMYYDRVZYHWTNU-UHFFFAOYSA-N 1 2 247.342 1.977 20 0 BDADLO COc1nccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000294679329 385882164 /nfs/dbraw/zinc/88/21/64/385882164.db2.gz DBHDHLQHGPRMSS-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1nccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000294679329 385882166 /nfs/dbraw/zinc/88/21/66/385882166.db2.gz DBHDHLQHGPRMSS-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COC(=O)[C@H]([NH2+]CCSC(C)C)C1CC1 ZINC000336720738 385882290 /nfs/dbraw/zinc/88/22/90/385882290.db2.gz ZYGAHARKPUJCIA-SNVBAGLBSA-N 1 2 231.361 1.669 20 0 BDADLO CCOc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295131171 385976031 /nfs/dbraw/zinc/97/60/31/385976031.db2.gz YKLNFFMLHGWICP-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295131171 385976038 /nfs/dbraw/zinc/97/60/38/385976038.db2.gz YKLNFFMLHGWICP-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345091112 385994633 /nfs/dbraw/zinc/99/46/33/385994633.db2.gz MRSJGNXDVYUNSD-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345091112 385994641 /nfs/dbraw/zinc/99/46/41/385994641.db2.gz MRSJGNXDVYUNSD-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](OC)C2CC2)CCCC1 ZINC000425412975 385982462 /nfs/dbraw/zinc/98/24/62/385982462.db2.gz APAPCBFRRUYUNF-NSHDSACASA-N 1 2 241.331 1.487 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286011085 385986272 /nfs/dbraw/zinc/98/62/72/385986272.db2.gz GWQNMEPYKSHUID-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286011085 385986276 /nfs/dbraw/zinc/98/62/76/385986276.db2.gz GWQNMEPYKSHUID-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC=CC[C@H]1C ZINC000286002692 385986730 /nfs/dbraw/zinc/98/67/30/385986730.db2.gz HQMQPWIYYFNUHB-MWLCHTKSSA-N 1 2 233.315 1.937 20 0 BDADLO C[C@@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000414140436 385987039 /nfs/dbraw/zinc/98/70/39/385987039.db2.gz HAPCGPKBNDQKFY-SNVBAGLBSA-N 1 2 218.256 1.632 20 0 BDADLO COC[C@](C)([NH2+]CCCCCF)C(=O)OC ZINC000336769689 385988834 /nfs/dbraw/zinc/98/88/34/385988834.db2.gz SGJLNRNDMYHVQF-NSHDSACASA-N 1 2 235.299 1.294 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](O)C2)s1 ZINC000338235074 385932294 /nfs/dbraw/zinc/93/22/94/385932294.db2.gz HCVFEFZTJDYRAX-APPZFPTMSA-N 1 2 227.333 1.364 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](O)C2)s1 ZINC000338235074 385932299 /nfs/dbraw/zinc/93/22/99/385932299.db2.gz HCVFEFZTJDYRAX-APPZFPTMSA-N 1 2 227.333 1.364 20 0 BDADLO CC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)COC1 ZINC000272776869 385932373 /nfs/dbraw/zinc/93/23/73/385932373.db2.gz DBUQVBIGGSVGBE-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO CC[NH+](CC)Cc1ncnn1C(C)(C)C ZINC000338263402 385935209 /nfs/dbraw/zinc/93/52/09/385935209.db2.gz LFKUIMWCZQBRGR-UHFFFAOYSA-N 1 2 210.325 1.875 20 0 BDADLO CC[C@@H](C)CCC(=O)NCc1[nH+]ccn1C ZINC000285533818 385937376 /nfs/dbraw/zinc/93/73/76/385937376.db2.gz HNUKFUUVOHOCND-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO COC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000285523501 385937564 /nfs/dbraw/zinc/93/75/64/385937564.db2.gz RVNOORGDKNULAU-ZJUUUORDSA-N 1 2 248.282 1.528 20 0 BDADLO C[N@H+](Cc1nnc(-c2ccco2)o1)C1(CO)CC1 ZINC000285556876 385940480 /nfs/dbraw/zinc/94/04/80/385940480.db2.gz RFBREWRJOPGFNX-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)C1(CO)CC1 ZINC000285556876 385940485 /nfs/dbraw/zinc/94/04/85/385940485.db2.gz RFBREWRJOPGFNX-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc(C(F)F)no1 ZINC000425391078 385942467 /nfs/dbraw/zinc/94/24/67/385942467.db2.gz CYACDECIAVSODS-UHFFFAOYSA-N 1 2 235.234 1.522 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)CC[C@H]1C ZINC000636993343 385942852 /nfs/dbraw/zinc/94/28/52/385942852.db2.gz QNCKTJDPODDRFJ-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1[C@H](C)CC[C@H]1C ZINC000636993343 385942858 /nfs/dbraw/zinc/94/28/58/385942858.db2.gz QNCKTJDPODDRFJ-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO COC1(C)CC[NH+](Cc2nnc(C)s2)CC1 ZINC000342187138 385942830 /nfs/dbraw/zinc/94/28/30/385942830.db2.gz ZLSSTRZKSCNYTA-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO CO[C@H](C)CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000272857287 385943366 /nfs/dbraw/zinc/94/33/66/385943366.db2.gz RKGATQTZKJKCTM-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CC1(F)F)Cn1cc[nH+]c1 ZINC000295028897 385948687 /nfs/dbraw/zinc/94/86/87/385948687.db2.gz RHHMTPWQQYZTFF-BDAKNGLRSA-N 1 2 243.257 1.291 20 0 BDADLO CCN(CC(C)(C)O)c1nc[nH+]c(N)c1Cl ZINC000233425369 385953891 /nfs/dbraw/zinc/95/38/91/385953891.db2.gz HJSFTQFDXRBJKF-UHFFFAOYSA-N 1 2 244.726 1.309 20 0 BDADLO CCN(CC(C)(C)O)c1[nH+]cnc(N)c1Cl ZINC000233425369 385953896 /nfs/dbraw/zinc/95/38/96/385953896.db2.gz HJSFTQFDXRBJKF-UHFFFAOYSA-N 1 2 244.726 1.309 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]CN2CCC(=O)CC2)o1 ZINC000273013169 385960765 /nfs/dbraw/zinc/96/07/65/385960765.db2.gz BGVLDSUZQISMLM-NSHDSACASA-N 1 2 236.315 1.861 20 0 BDADLO C[C@@H](C[S@](C)=O)Nc1cc[nH+]c2ccncc12 ZINC000273109962 385969656 /nfs/dbraw/zinc/96/96/56/385969656.db2.gz GFJARWDAKCAILL-XYZCENFISA-N 1 2 249.339 1.809 20 0 BDADLO COCC[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425406274 385970614 /nfs/dbraw/zinc/97/06/14/385970614.db2.gz MLIBOMKWHPUCJV-UHFFFAOYSA-N 1 2 247.245 1.618 20 0 BDADLO COCC[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425406274 385970619 /nfs/dbraw/zinc/97/06/19/385970619.db2.gz MLIBOMKWHPUCJV-UHFFFAOYSA-N 1 2 247.245 1.618 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cnn(C)c1C ZINC000273460345 386004691 /nfs/dbraw/zinc/00/46/91/386004691.db2.gz ZVHMTZZXLQGQIY-SSDOTTSWSA-N 1 2 235.291 1.271 20 0 BDADLO Cc1nc(C[NH2+]C2(C(N)=O)CCCCC2)co1 ZINC000647968665 386015488 /nfs/dbraw/zinc/01/54/88/386015488.db2.gz PXHKUWUANFGPAN-UHFFFAOYSA-N 1 2 237.303 1.261 20 0 BDADLO Cc1ncc(C(=O)NCc2cc(C)[nH+]c(C)c2)[nH]1 ZINC000335069822 386017709 /nfs/dbraw/zinc/01/77/09/386017709.db2.gz RJSMWBDUVOEPJE-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CC[C@@H](O)C2)c[nH+]1 ZINC000335060146 386023871 /nfs/dbraw/zinc/02/38/71/386023871.db2.gz VIZUIDGFNQHNKA-DGCLKSJQSA-N 1 2 248.326 1.476 20 0 BDADLO C[C@H](O)CCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000366051413 386024620 /nfs/dbraw/zinc/02/46/20/386024620.db2.gz YLUPZYHQXLHSHM-NSHDSACASA-N 1 2 246.314 1.262 20 0 BDADLO Cc1cc(CNC(=O)[C@]2(C)CCOC2)cc(C)[nH+]1 ZINC000335072307 386025108 /nfs/dbraw/zinc/02/51/08/386025108.db2.gz DQZOZLXFEKIKLT-CQSZACIVSA-N 1 2 248.326 1.741 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)C(C)C ZINC000414182824 386025021 /nfs/dbraw/zinc/02/50/21/386025021.db2.gz MXHNNWZCKGBXKE-JLLWLGSASA-N 1 2 243.347 1.587 20 0 BDADLO Cc1ccc(N[C@@H](C)c2ccc(=O)[nH]n2)c[nH+]1 ZINC000286345236 386025879 /nfs/dbraw/zinc/02/58/79/386025879.db2.gz ZABABVSMUMJUHT-VIFPVBQESA-N 1 2 230.271 1.646 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2cccnc2C)n1 ZINC000414637633 386026032 /nfs/dbraw/zinc/02/60/32/386026032.db2.gz CNPHOIDZKQRBFD-AATRIKPKSA-N 1 2 230.271 1.663 20 0 BDADLO CC[N@@H+]1CCC[C@H]1CNCc1snnc1C ZINC000309740510 386026486 /nfs/dbraw/zinc/02/64/86/386026486.db2.gz HPLYAPUGBKGEEF-JTQLQIEISA-N 1 2 240.376 1.420 20 0 BDADLO CC[N@H+]1CCC[C@H]1CNCc1snnc1C ZINC000309740510 386026493 /nfs/dbraw/zinc/02/64/93/386026493.db2.gz HPLYAPUGBKGEEF-JTQLQIEISA-N 1 2 240.376 1.420 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccsc1C ZINC000295432066 386031229 /nfs/dbraw/zinc/03/12/29/386031229.db2.gz TWDMCXJXCBQWAH-UHFFFAOYSA-N 1 2 213.302 1.661 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccsc1C ZINC000295432066 386031235 /nfs/dbraw/zinc/03/12/35/386031235.db2.gz TWDMCXJXCBQWAH-UHFFFAOYSA-N 1 2 213.302 1.661 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)CC1(O)CCC1 ZINC000425430195 386031627 /nfs/dbraw/zinc/03/16/27/386031627.db2.gz DPFMQZKJFKSOBS-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)CC1(O)CCC1 ZINC000425430195 386031633 /nfs/dbraw/zinc/03/16/33/386031633.db2.gz DPFMQZKJFKSOBS-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000307868266 386037210 /nfs/dbraw/zinc/03/72/10/386037210.db2.gz IFPNONCYHNUUDX-ZETCQYMHSA-N 1 2 221.247 1.525 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000334439562 386047410 /nfs/dbraw/zinc/04/74/10/386047410.db2.gz LBDBFNGGELNEET-MNOVXSKESA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000334439562 386047417 /nfs/dbraw/zinc/04/74/17/386047417.db2.gz LBDBFNGGELNEET-MNOVXSKESA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc[nH+]c(C3CC3)n2)[nH]1 ZINC000286567052 386051412 /nfs/dbraw/zinc/05/14/12/386051412.db2.gz PWSLRYIBRGSALT-ZETCQYMHSA-N 1 2 244.302 1.954 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000286561558 386052042 /nfs/dbraw/zinc/05/20/42/386052042.db2.gz TXYJUHZVWRMXDS-NSHDSACASA-N 1 2 242.269 1.938 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1Cc1ccccn1 ZINC000286561558 386052050 /nfs/dbraw/zinc/05/20/50/386052050.db2.gz TXYJUHZVWRMXDS-NSHDSACASA-N 1 2 242.269 1.938 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1CCn1cccn1 ZINC000286571490 386052528 /nfs/dbraw/zinc/05/25/28/386052528.db2.gz UNSCWWDHFSGWHU-SNVBAGLBSA-N 1 2 245.273 1.239 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1CCn1cccn1 ZINC000286571490 386052538 /nfs/dbraw/zinc/05/25/38/386052538.db2.gz UNSCWWDHFSGWHU-SNVBAGLBSA-N 1 2 245.273 1.239 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1CCn1cccn1 ZINC000286571486 386053834 /nfs/dbraw/zinc/05/38/34/386053834.db2.gz UNSCWWDHFSGWHU-JTQLQIEISA-N 1 2 245.273 1.239 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1CCn1cccn1 ZINC000286571486 386053838 /nfs/dbraw/zinc/05/38/38/386053838.db2.gz UNSCWWDHFSGWHU-JTQLQIEISA-N 1 2 245.273 1.239 20 0 BDADLO CCC1CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000335079464 386054298 /nfs/dbraw/zinc/05/42/98/386054298.db2.gz RVMDSOHXFLJMKT-UHFFFAOYSA-N 1 2 243.310 1.745 20 0 BDADLO C[C@@H](CF)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000287235875 386104530 /nfs/dbraw/zinc/10/45/30/386104530.db2.gz OHZUFPLPGAJTET-JQWIXIFHSA-N 1 2 238.306 1.764 20 0 BDADLO CC[C@H](OC)C(=O)OCc1c[nH+]ccc1OC ZINC000287251923 386105720 /nfs/dbraw/zinc/10/57/20/386105720.db2.gz QYUDTFFLOPFIFA-JTQLQIEISA-N 1 2 239.271 1.558 20 0 BDADLO COCc1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000295925006 386106821 /nfs/dbraw/zinc/10/68/21/386106821.db2.gz FGBOTJMMVOPMSY-UHFFFAOYSA-N 1 2 237.299 1.789 20 0 BDADLO COCc1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000295925006 386106826 /nfs/dbraw/zinc/10/68/26/386106826.db2.gz FGBOTJMMVOPMSY-UHFFFAOYSA-N 1 2 237.299 1.789 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287272285 386109097 /nfs/dbraw/zinc/10/90/97/386109097.db2.gz HUUFCFYCELJUIZ-LLVKDONJSA-N 1 2 236.702 1.544 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287272285 386109103 /nfs/dbraw/zinc/10/91/03/386109103.db2.gz HUUFCFYCELJUIZ-LLVKDONJSA-N 1 2 236.702 1.544 20 0 BDADLO Cc1c(C[N@@H+](C(C)C)C2COC2)cnn1C ZINC000295942847 386111994 /nfs/dbraw/zinc/11/19/94/386111994.db2.gz GMRZICKLQOGWEL-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c(C[N@H+](C(C)C)C2COC2)cnn1C ZINC000295942847 386112000 /nfs/dbraw/zinc/11/20/00/386112000.db2.gz GMRZICKLQOGWEL-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO COCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000274016926 386061436 /nfs/dbraw/zinc/06/14/36/386061436.db2.gz WXGZUDHCUSSZDA-UHFFFAOYSA-N 1 2 233.271 1.553 20 0 BDADLO FC(F)COCC[N@@H+]1CCOCC12CC2 ZINC000338599220 386068795 /nfs/dbraw/zinc/06/87/95/386068795.db2.gz UNPVVWYDHNPCBW-UHFFFAOYSA-N 1 2 221.247 1.133 20 0 BDADLO FC(F)COCC[N@H+]1CCOCC12CC2 ZINC000338599220 386068802 /nfs/dbraw/zinc/06/88/02/386068802.db2.gz UNPVVWYDHNPCBW-UHFFFAOYSA-N 1 2 221.247 1.133 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286779067 386072369 /nfs/dbraw/zinc/07/23/69/386072369.db2.gz HELMQHAHQWZTPG-GFCCVEGCSA-N 1 2 242.294 1.588 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000286779067 386072376 /nfs/dbraw/zinc/07/23/76/386072376.db2.gz HELMQHAHQWZTPG-GFCCVEGCSA-N 1 2 242.294 1.588 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCCO2)c[nH+]1 ZINC000335055358 386073079 /nfs/dbraw/zinc/07/30/79/386073079.db2.gz AMHNWDYVWUJMDY-LBPRGKRZSA-N 1 2 234.299 1.494 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1=CCCCC1 ZINC000295735194 386079092 /nfs/dbraw/zinc/07/90/92/386079092.db2.gz FNZXDCNKIRVZSJ-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCOCC[C@@H]1C ZINC000366106743 386080849 /nfs/dbraw/zinc/08/08/49/386080849.db2.gz FIFZUIHFFRHUGG-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCOCC[C@@H]1C ZINC000366106743 386080852 /nfs/dbraw/zinc/08/08/52/386080852.db2.gz FIFZUIHFFRHUGG-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CCOC[C@H]([NH2+][C@H](C)C(=O)OC)C(C)C ZINC000189796238 386088615 /nfs/dbraw/zinc/08/86/15/386088615.db2.gz IFFHIHHLRRXSFM-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO CC[NH2+][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000189828440 386091829 /nfs/dbraw/zinc/09/18/29/386091829.db2.gz CFXVNEYMDKVTQP-CABZTGNLSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nc(C[N@@H+](C)C(C)(C)C(N)=O)sc1C ZINC000295840658 386092040 /nfs/dbraw/zinc/09/20/40/386092040.db2.gz ZNXNSROCQVGBLX-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1nc(C[N@H+](C)C(C)(C)C(N)=O)sc1C ZINC000295840658 386092046 /nfs/dbraw/zinc/09/20/46/386092046.db2.gz ZNXNSROCQVGBLX-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075779190 386092342 /nfs/dbraw/zinc/09/23/42/386092342.db2.gz GOXSHKQQXQPOMC-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000075779190 386092344 /nfs/dbraw/zinc/09/23/44/386092344.db2.gz GOXSHKQQXQPOMC-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1noc(C)n1)C1CC1 ZINC000425453525 386095505 /nfs/dbraw/zinc/09/55/05/386095505.db2.gz FEVBDUFURVOCAQ-JTQLQIEISA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1noc(C)n1)C1CC1 ZINC000425453525 386095511 /nfs/dbraw/zinc/09/55/11/386095511.db2.gz FEVBDUFURVOCAQ-JTQLQIEISA-N 1 2 225.292 1.235 20 0 BDADLO CC(C)c1nc(NC[C@]2(O)CCC[C@@H]2C)cc[nH+]1 ZINC000338806438 386145555 /nfs/dbraw/zinc/14/55/55/386145555.db2.gz AJEZAFWFXLTEES-SMDDNHRTSA-N 1 2 249.358 1.985 20 0 BDADLO O=C1NCCN1CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000335153141 386148219 /nfs/dbraw/zinc/14/82/19/386148219.db2.gz CTYJZZJHUOCLCH-UHFFFAOYSA-N 1 2 249.289 1.167 20 0 BDADLO O=C1NCCN1CC[N@H+]1Cc2cccc(F)c2C1 ZINC000335153141 386148225 /nfs/dbraw/zinc/14/82/25/386148225.db2.gz CTYJZZJHUOCLCH-UHFFFAOYSA-N 1 2 249.289 1.167 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(N)n2)C1 ZINC000310161603 386150859 /nfs/dbraw/zinc/15/08/59/386150859.db2.gz LPYBERIURRQKKD-PSASIEDQSA-N 1 2 235.335 1.777 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N(c2nc(N)nc(C)[nH+]2)C1 ZINC000310161603 386150864 /nfs/dbraw/zinc/15/08/64/386150864.db2.gz LPYBERIURRQKKD-PSASIEDQSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1cc(C)c(NC(=O)NC[C@H](C)O)c(C)[nH+]1 ZINC000335156163 386151068 /nfs/dbraw/zinc/15/10/68/386151068.db2.gz JXCSRUKJVOCCPE-VIFPVBQESA-N 1 2 237.303 1.509 20 0 BDADLO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000346150698 386168756 /nfs/dbraw/zinc/16/87/56/386168756.db2.gz BDCKADPDAAYOJB-QMMMGPOBSA-N 1 2 221.304 1.602 20 0 BDADLO CO[C@H](C[N@@H+](CC(F)F)C[C@@H](C)O)C1CC1 ZINC000425495772 386176114 /nfs/dbraw/zinc/17/61/14/386176114.db2.gz TUMOYHDLFIQWJQ-PSASIEDQSA-N 1 2 237.290 1.359 20 0 BDADLO CO[C@H](C[N@H+](CC(F)F)C[C@@H](C)O)C1CC1 ZINC000425495772 386176117 /nfs/dbraw/zinc/17/61/17/386176117.db2.gz TUMOYHDLFIQWJQ-PSASIEDQSA-N 1 2 237.290 1.359 20 0 BDADLO C[N@H+](Cc1cncc(F)c1)Cc1cnccn1 ZINC000275107385 386180392 /nfs/dbraw/zinc/18/03/92/386180392.db2.gz FFLDASCTWMHWQT-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO C[N@@H+](Cc1cncc(F)c1)Cc1cnccn1 ZINC000275107385 386180397 /nfs/dbraw/zinc/18/03/97/386180397.db2.gz FFLDASCTWMHWQT-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO COC(=O)[C@@H](C)SCc1c[nH+]cn1C ZINC000275096417 386180720 /nfs/dbraw/zinc/18/07/20/386180720.db2.gz NLPBKWAMAFDRIQ-SSDOTTSWSA-N 1 2 214.290 1.215 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C)no1 ZINC000275119682 386181894 /nfs/dbraw/zinc/18/18/94/386181894.db2.gz OYBBZAWWSOAXEB-GFCCVEGCSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C)no1 ZINC000275119682 386181901 /nfs/dbraw/zinc/18/19/01/386181901.db2.gz OYBBZAWWSOAXEB-GFCCVEGCSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C(C)C)C1COC1 ZINC000296106592 386136670 /nfs/dbraw/zinc/13/66/70/386136670.db2.gz SDJMKXGWGKFOKJ-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C(C)C)C1COC1 ZINC000296106592 386136674 /nfs/dbraw/zinc/13/66/74/386136674.db2.gz SDJMKXGWGKFOKJ-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO C[C@@H]1CCN(c2ncnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000647872447 386138668 /nfs/dbraw/zinc/13/86/68/386138668.db2.gz CDEXNVRUKVMBBH-MNOVXSKESA-N 1 2 246.318 1.099 20 0 BDADLO Cc1cccc(C[N@H+]2CCOC[C@H]2C)n1 ZINC000335143575 386141780 /nfs/dbraw/zinc/14/17/80/386141780.db2.gz ZHVKHHNQXHTMPA-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccc(C[N@@H+]2CCOC[C@H]2C)n1 ZINC000335143575 386141786 /nfs/dbraw/zinc/14/17/86/386141786.db2.gz ZHVKHHNQXHTMPA-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000264017895 386201206 /nfs/dbraw/zinc/20/12/06/386201206.db2.gz LFCYHCLGVOBLJU-LBPRGKRZSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1noc(C[N@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000264017895 386201210 /nfs/dbraw/zinc/20/12/10/386201210.db2.gz LFCYHCLGVOBLJU-LBPRGKRZSA-N 1 2 247.298 1.543 20 0 BDADLO CC[C@@H](CSC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288455914 386202081 /nfs/dbraw/zinc/20/20/81/386202081.db2.gz INJXNUQLCBHIKK-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO Cc1cc(N2CC[S@](=O)[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000347050699 386204177 /nfs/dbraw/zinc/20/41/77/386204177.db2.gz UGFWOZFHQQAFFI-LSYCYVAJSA-N 1 2 239.344 1.131 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1CCC1 ZINC000264124841 386209306 /nfs/dbraw/zinc/20/93/06/386209306.db2.gz HLRCSWYBIWLXJY-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)NCCF ZINC000282808079 386211382 /nfs/dbraw/zinc/21/13/82/386211382.db2.gz REEIXNYCLUIIKQ-SFYZADRCSA-N 1 2 245.323 1.268 20 0 BDADLO COC(=O)[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000055278690 386212056 /nfs/dbraw/zinc/21/20/56/386212056.db2.gz WJIILWTYYIAMLX-VIFPVBQESA-N 1 2 205.257 1.564 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C)CCCC1 ZINC000264164154 386213412 /nfs/dbraw/zinc/21/34/12/386213412.db2.gz KRJOQNDLQRQCBH-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CCC[C@H](CC)NC(=O)NCc1[nH+]ccn1C ZINC000264201942 386215299 /nfs/dbraw/zinc/21/52/99/386215299.db2.gz QINCVGLLZNURBP-JTQLQIEISA-N 1 2 238.335 1.798 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(C)CCC1 ZINC000339033938 386216926 /nfs/dbraw/zinc/21/69/26/386216926.db2.gz PSGFGCHPGQOBPG-JTQLQIEISA-N 1 2 236.319 1.513 20 0 BDADLO C[N@H+](CCOC1CCC1)Cc1cc[nH]n1 ZINC000347074947 386218623 /nfs/dbraw/zinc/21/86/23/386218623.db2.gz LTDSSCZLUGATMI-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@@H+](CCOC1CCC1)Cc1cc[nH]n1 ZINC000347074947 386218628 /nfs/dbraw/zinc/21/86/28/386218628.db2.gz LTDSSCZLUGATMI-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO Cc1c[nH+]cc(NCc2cnn(C)c2)c1 ZINC000125081989 386222180 /nfs/dbraw/zinc/22/21/80/386222180.db2.gz DPVJUBYDJGEUAF-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC(C)(C)C ZINC000264272816 386222652 /nfs/dbraw/zinc/22/26/52/386222652.db2.gz GOIFYMGATJTNAU-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000408403355 386222647 /nfs/dbraw/zinc/22/26/47/386222647.db2.gz DDMQBXIMBMKIOV-SFYZADRCSA-N 1 2 246.318 1.180 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCCc2occc2C1 ZINC000288642140 386223609 /nfs/dbraw/zinc/22/36/09/386223609.db2.gz ASHVHKBFPLRDQL-SECBINFHSA-N 1 2 223.272 1.589 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCCc2occc2C1 ZINC000288642140 386223613 /nfs/dbraw/zinc/22/36/13/386223613.db2.gz ASHVHKBFPLRDQL-SECBINFHSA-N 1 2 223.272 1.589 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000297071503 386223643 /nfs/dbraw/zinc/22/36/43/386223643.db2.gz ZNSLVMNIZDFXBA-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cnccc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000297071503 386223647 /nfs/dbraw/zinc/22/36/47/386223647.db2.gz ZNSLVMNIZDFXBA-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc(C)no2)CCO1 ZINC000276004161 386260261 /nfs/dbraw/zinc/26/02/61/386260261.db2.gz IGCKJGITJKHUGD-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000276004161 386260265 /nfs/dbraw/zinc/26/02/65/386260265.db2.gz IGCKJGITJKHUGD-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CSC(C)(C)C ZINC000264364558 386228800 /nfs/dbraw/zinc/22/88/00/386228800.db2.gz ZCUXACXZRSUMBJ-UHFFFAOYSA-N 1 2 241.360 1.568 20 0 BDADLO C[N@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCOC1 ZINC000264433804 386236402 /nfs/dbraw/zinc/23/64/02/386236402.db2.gz OVYJFZLJPRWGAE-VIFPVBQESA-N 1 2 249.270 1.550 20 0 BDADLO C[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCOC1 ZINC000264433804 386236405 /nfs/dbraw/zinc/23/64/05/386236405.db2.gz OVYJFZLJPRWGAE-VIFPVBQESA-N 1 2 249.270 1.550 20 0 BDADLO COC1(CC[N@H+](C)Cc2noc(C)n2)CCC1 ZINC000339075409 386238619 /nfs/dbraw/zinc/23/86/19/386238619.db2.gz GENJFUKELGPIKR-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO COC1(CC[N@@H+](C)Cc2noc(C)n2)CCC1 ZINC000339075409 386238627 /nfs/dbraw/zinc/23/86/27/386238627.db2.gz GENJFUKELGPIKR-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO O=C1C[N@H+](Cc2ccc3occc3c2)CCN1 ZINC000289089399 386260680 /nfs/dbraw/zinc/26/06/80/386260680.db2.gz LDRXIDUOXNHXSE-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3occc3c2)CCN1 ZINC000289089399 386260685 /nfs/dbraw/zinc/26/06/85/386260685.db2.gz LDRXIDUOXNHXSE-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO C[C@@H]([NH2+]CN1CCC(=O)CC1)c1ccccn1 ZINC000275797433 386241436 /nfs/dbraw/zinc/24/14/36/386241436.db2.gz OIZAYEJNOKMJRR-LLVKDONJSA-N 1 2 233.315 1.355 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000288961936 386243750 /nfs/dbraw/zinc/24/37/50/386243750.db2.gz BAGZRFXCWPRFIZ-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000288961936 386243752 /nfs/dbraw/zinc/24/37/52/386243752.db2.gz BAGZRFXCWPRFIZ-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO COC(=O)N(C)CC(=O)Nc1cc[nH+]cc1C ZINC000264516434 386244427 /nfs/dbraw/zinc/24/44/27/386244427.db2.gz LKTZOPWISBFCJJ-UHFFFAOYSA-N 1 2 237.259 1.027 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCCc2occc2C1 ZINC000288951764 386244964 /nfs/dbraw/zinc/24/49/64/386244964.db2.gz XNHZZEJJALTLFF-NSHDSACASA-N 1 2 237.299 1.979 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCCc2occc2C1 ZINC000288951764 386244968 /nfs/dbraw/zinc/24/49/68/386244968.db2.gz XNHZZEJJALTLFF-NSHDSACASA-N 1 2 237.299 1.979 20 0 BDADLO C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)[C@H]1C ZINC000297338662 386245069 /nfs/dbraw/zinc/24/50/69/386245069.db2.gz IMBJEZAGTUGMJG-MNOVXSKESA-N 1 2 236.319 1.323 20 0 BDADLO CO[C@@H](C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264555460 386246661 /nfs/dbraw/zinc/24/66/61/386246661.db2.gz ZPVRGGJSEVHXDZ-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO CO[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)CC(C)C ZINC000416262335 386249602 /nfs/dbraw/zinc/24/96/02/386249602.db2.gz OHQHLJSYMKJFSJ-JTQLQIEISA-N 1 2 239.319 1.509 20 0 BDADLO CC(C)C(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000275937511 386251089 /nfs/dbraw/zinc/25/10/89/386251089.db2.gz SESNKHCDLQYEQJ-UHFFFAOYSA-N 1 2 223.320 1.682 20 0 BDADLO Cc1nc(C[N@@H+](C)CCNC(=O)C(C)C)co1 ZINC000647969908 386253469 /nfs/dbraw/zinc/25/34/69/386253469.db2.gz XOOTWFIAVFVDAG-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1nc(C[N@H+](C)CCNC(=O)C(C)C)co1 ZINC000647969908 386253474 /nfs/dbraw/zinc/25/34/74/386253474.db2.gz XOOTWFIAVFVDAG-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCOC2)nc1 ZINC000336646674 386255084 /nfs/dbraw/zinc/25/50/84/386255084.db2.gz LBEOYJKQKZFTSV-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H]2CCOC2)nc1 ZINC000336646674 386255086 /nfs/dbraw/zinc/25/50/86/386255086.db2.gz LBEOYJKQKZFTSV-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO COc1cccc(C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000647932952 386257274 /nfs/dbraw/zinc/25/72/74/386257274.db2.gz WJODATUPHBVPNF-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1cccc(C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000647932952 386257277 /nfs/dbraw/zinc/25/72/77/386257277.db2.gz WJODATUPHBVPNF-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCn1cccn1 ZINC000339118844 386258160 /nfs/dbraw/zinc/25/81/60/386258160.db2.gz NJHVMGKTTYRKHQ-UHFFFAOYSA-N 1 2 246.299 1.310 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H](O)Cc1ccc(F)cc1 ZINC000338965369 386192825 /nfs/dbraw/zinc/19/28/25/386192825.db2.gz VTOPJLHNBMGNDK-NSHDSACASA-N 1 2 247.260 1.926 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H](O)Cc1ccc(F)cc1 ZINC000338965369 386192830 /nfs/dbraw/zinc/19/28/30/386192830.db2.gz VTOPJLHNBMGNDK-NSHDSACASA-N 1 2 247.260 1.926 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000416078277 386195224 /nfs/dbraw/zinc/19/52/24/386195224.db2.gz SLNLDHZDTPKRLF-IJLUTSLNSA-N 1 2 235.331 1.776 20 0 BDADLO COCc1cc(C[N@@H+]2CCS[C@H](C)C2)no1 ZINC000297879963 386284575 /nfs/dbraw/zinc/28/45/75/386284575.db2.gz QGUAGWKDRSUBRB-SECBINFHSA-N 1 2 242.344 1.758 20 0 BDADLO COCc1cc(C[N@H+]2CCS[C@H](C)C2)no1 ZINC000297879963 386284581 /nfs/dbraw/zinc/28/45/81/386284581.db2.gz QGUAGWKDRSUBRB-SECBINFHSA-N 1 2 242.344 1.758 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](CO)C2)cs1 ZINC000336664018 386285337 /nfs/dbraw/zinc/28/53/37/386285337.db2.gz DORXFAADNVZKCH-VIFPVBQESA-N 1 2 242.344 1.104 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](CO)C2)cs1 ZINC000336664018 386285344 /nfs/dbraw/zinc/28/53/44/386285344.db2.gz DORXFAADNVZKCH-VIFPVBQESA-N 1 2 242.344 1.104 20 0 BDADLO CCN1CC[N@H+](CCOC2CCC2)[C@H](C)C1=O ZINC000347221090 386287086 /nfs/dbraw/zinc/28/70/86/386287086.db2.gz DYBQHBAPALLKLZ-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCN1CC[N@@H+](CCOC2CCC2)[C@H](C)C1=O ZINC000347221090 386287092 /nfs/dbraw/zinc/28/70/92/386287092.db2.gz DYBQHBAPALLKLZ-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1CCOC1CCC1 ZINC000347219506 386287514 /nfs/dbraw/zinc/28/75/14/386287514.db2.gz IWJMJWKSRNWRJE-MRXNPFEDSA-N 1 2 245.388 1.398 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1CCOC1CCC1 ZINC000347219506 386287517 /nfs/dbraw/zinc/28/75/17/386287517.db2.gz IWJMJWKSRNWRJE-MRXNPFEDSA-N 1 2 245.388 1.398 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnn(C)n1 ZINC000289537375 386324474 /nfs/dbraw/zinc/32/44/74/386324474.db2.gz CGUNHKQBYPFEGX-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnn(C)n1 ZINC000289537375 386324479 /nfs/dbraw/zinc/32/44/79/386324479.db2.gz CGUNHKQBYPFEGX-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO CC[C@H](C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347290541 386291730 /nfs/dbraw/zinc/29/17/30/386291730.db2.gz UYTCDJCEHQKMLQ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cn1ncc(C[NH2+][C@@H](CCO)c2ccccc2)n1 ZINC000289380577 386293053 /nfs/dbraw/zinc/29/30/53/386293053.db2.gz PMWIEPDGTWZFEQ-ZDUSSCGKSA-N 1 2 246.314 1.028 20 0 BDADLO CC(C)n1ccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000265079328 386301668 /nfs/dbraw/zinc/30/16/68/386301668.db2.gz XDWUPEZPYODVKM-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000335266891 386305314 /nfs/dbraw/zinc/30/53/14/386305314.db2.gz ZFTNOZVTSIGQOG-QLJPJBMISA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000335266891 386305318 /nfs/dbraw/zinc/30/53/18/386305318.db2.gz ZFTNOZVTSIGQOG-QLJPJBMISA-N 1 2 241.356 1.931 20 0 BDADLO Cc1c[nH]nc1CNc1ccc(N(C)C)[nH+]c1 ZINC000289432150 386305453 /nfs/dbraw/zinc/30/54/53/386305453.db2.gz DYKPVAKEBOPSPZ-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO CC[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339230437 386305834 /nfs/dbraw/zinc/30/58/34/386305834.db2.gz HUFMXUNYMQFIFI-NWDGAFQWSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339230437 386305838 /nfs/dbraw/zinc/30/58/38/386305838.db2.gz HUFMXUNYMQFIFI-NWDGAFQWSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335266857 386305946 /nfs/dbraw/zinc/30/59/46/386305946.db2.gz YBEHMMQJBRHXGL-HWPZZCPQSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000335266857 386305952 /nfs/dbraw/zinc/30/59/52/386305952.db2.gz YBEHMMQJBRHXGL-HWPZZCPQSA-N 1 2 241.356 1.788 20 0 BDADLO COC(=O)CSc1[nH+]cnc2[nH]ccc21 ZINC000339236156 386312944 /nfs/dbraw/zinc/31/29/44/386312944.db2.gz ZXYWWTVUQSJEQF-UHFFFAOYSA-N 1 2 223.257 1.223 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1ccon1 ZINC000276393854 386314686 /nfs/dbraw/zinc/31/46/86/386314686.db2.gz SHOFHZGUUATBBX-UHFFFAOYSA-N 1 2 220.219 1.388 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1ccon1 ZINC000276393854 386314693 /nfs/dbraw/zinc/31/46/93/386314693.db2.gz SHOFHZGUUATBBX-UHFFFAOYSA-N 1 2 220.219 1.388 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000276018697 386263322 /nfs/dbraw/zinc/26/33/22/386263322.db2.gz RSQCDQFAUYKCIB-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000276018697 386263327 /nfs/dbraw/zinc/26/33/27/386263327.db2.gz RSQCDQFAUYKCIB-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1CCOC1CCC1 ZINC000347162498 386265426 /nfs/dbraw/zinc/26/54/26/386265426.db2.gz JGBGBJYWEVUWSD-JTQLQIEISA-N 1 2 249.301 1.912 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1CCOC1CCC1 ZINC000347162498 386265430 /nfs/dbraw/zinc/26/54/30/386265430.db2.gz JGBGBJYWEVUWSD-JTQLQIEISA-N 1 2 249.301 1.912 20 0 BDADLO CCOCCOC1C[NH+](Cc2occc2C)C1 ZINC000297619783 386265507 /nfs/dbraw/zinc/26/55/07/386265507.db2.gz LGMBPFABHWJECY-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)CCc1c[nH+]cn1C ZINC000339162681 386269355 /nfs/dbraw/zinc/26/93/55/386269355.db2.gz IWWWCUFYNQMQEP-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO c1cn(CCNc2ncnc3ccsc32)c[nH+]1 ZINC000028619976 386270042 /nfs/dbraw/zinc/27/00/42/386270042.db2.gz LHJHKXSFHWKVCP-UHFFFAOYSA-N 1 2 245.311 2.000 20 0 BDADLO Cc1ccc(F)cc1C[NH2+]Cc1ncn(C)n1 ZINC000226514738 386323847 /nfs/dbraw/zinc/32/38/47/386323847.db2.gz RWNXHHVNELOKCM-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289268782 386277530 /nfs/dbraw/zinc/27/75/30/386277530.db2.gz DWMSRANFJZZFAK-QWHCGFSZSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289268782 386277536 /nfs/dbraw/zinc/27/75/36/386277536.db2.gz DWMSRANFJZZFAK-QWHCGFSZSA-N 1 2 246.310 1.577 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000336644651 386279692 /nfs/dbraw/zinc/27/96/92/386279692.db2.gz CLAFNMLBZQFLLB-VIFPVBQESA-N 1 2 227.308 1.660 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000336644651 386279695 /nfs/dbraw/zinc/27/96/95/386279695.db2.gz CLAFNMLBZQFLLB-VIFPVBQESA-N 1 2 227.308 1.660 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000264862695 386279690 /nfs/dbraw/zinc/27/96/90/386279690.db2.gz QQHLXLGQZHLTTK-UHFFFAOYSA-N 1 2 237.299 1.614 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000264862695 386279694 /nfs/dbraw/zinc/27/96/94/386279694.db2.gz QQHLXLGQZHLTTK-UHFFFAOYSA-N 1 2 237.299 1.614 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000298447205 386345807 /nfs/dbraw/zinc/34/58/07/386345807.db2.gz FOWSHWFZDQKVPF-UHFFFAOYSA-N 1 2 238.306 1.736 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000298447205 386345813 /nfs/dbraw/zinc/34/58/13/386345813.db2.gz FOWSHWFZDQKVPF-UHFFFAOYSA-N 1 2 238.306 1.736 20 0 BDADLO Cc1ccnc(NCc2cn3c([nH+]2)CCCC3)n1 ZINC000265518961 386346878 /nfs/dbraw/zinc/34/68/78/386346878.db2.gz LTDHSHBEEWIGCO-UHFFFAOYSA-N 1 2 243.314 1.930 20 0 BDADLO CN(C[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276576884 386347894 /nfs/dbraw/zinc/34/78/94/386347894.db2.gz KZESADIAIFTWSP-ZWNMCFTASA-N 1 2 235.287 1.060 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2csnn2)[C@@H](C)C1 ZINC000336688264 386351353 /nfs/dbraw/zinc/35/13/53/386351353.db2.gz LLCUQOIPUUEFDO-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2csnn2)[C@@H](C)C1 ZINC000336688264 386351354 /nfs/dbraw/zinc/35/13/54/386351354.db2.gz LLCUQOIPUUEFDO-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO CC[C@H]1C[N@H+](CCOCC(F)(F)F)CCO1 ZINC000336688561 386352275 /nfs/dbraw/zinc/35/22/75/386352275.db2.gz YLJDEZDAWFSGNZ-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CC[C@H]1C[N@@H+](CCOCC(F)(F)F)CCO1 ZINC000336688561 386352281 /nfs/dbraw/zinc/35/22/81/386352281.db2.gz YLJDEZDAWFSGNZ-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ncnn1C(C)C ZINC000339283976 386353433 /nfs/dbraw/zinc/35/34/33/386353433.db2.gz PDVWJXJLIVGRAK-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ncnn1C(C)C ZINC000339283976 386353439 /nfs/dbraw/zinc/35/34/39/386353439.db2.gz PDVWJXJLIVGRAK-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO Cc1nc(C[NH2+][C@H](CO)c2ccccc2)co1 ZINC000647970179 386353771 /nfs/dbraw/zinc/35/37/71/386353771.db2.gz GTTIDRAFBMPSLV-CYBMUJFWSA-N 1 2 232.283 1.806 20 0 BDADLO Cc1nc(C[NH2+][C@@H](CO)c2ccccc2)co1 ZINC000647970180 386354081 /nfs/dbraw/zinc/35/40/81/386354081.db2.gz GTTIDRAFBMPSLV-ZDUSSCGKSA-N 1 2 232.283 1.806 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C(C)C)no1 ZINC000336689434 386355169 /nfs/dbraw/zinc/35/51/69/386355169.db2.gz ZCJODOSCVXPIOZ-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C(C)C)no1 ZINC000336689434 386355178 /nfs/dbraw/zinc/35/51/78/386355178.db2.gz ZCJODOSCVXPIOZ-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000336691642 386361803 /nfs/dbraw/zinc/36/18/03/386361803.db2.gz IKFHJNXRADTKAW-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000336691642 386361806 /nfs/dbraw/zinc/36/18/06/386361806.db2.gz IKFHJNXRADTKAW-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO CC(C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265781613 386370978 /nfs/dbraw/zinc/37/09/78/386370978.db2.gz GTUDANNMDVTKBZ-LLVKDONJSA-N 1 2 223.320 1.682 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C2CC2)O1 ZINC000334495221 386373423 /nfs/dbraw/zinc/37/34/23/386373423.db2.gz GCEXHMUYVAAJJY-ZYHUDNBSSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C2CC2)O1 ZINC000334495218 386374149 /nfs/dbraw/zinc/37/41/49/386374149.db2.gz GCEXHMUYVAAJJY-JQWIXIFHSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000276773380 386374359 /nfs/dbraw/zinc/37/43/59/386374359.db2.gz IEJHHSFKNIGAHF-GHMZBOCLSA-N 1 2 218.304 1.763 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1[C@@H]1C=CCCC1 ZINC000276773380 386374365 /nfs/dbraw/zinc/37/43/65/386374365.db2.gz IEJHHSFKNIGAHF-GHMZBOCLSA-N 1 2 218.304 1.763 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2ccon2)n1 ZINC000265825928 386376567 /nfs/dbraw/zinc/37/65/67/386376567.db2.gz SVKLUNUSBFQBNZ-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2ccon2)n1 ZINC000265825928 386376572 /nfs/dbraw/zinc/37/65/72/386376572.db2.gz SVKLUNUSBFQBNZ-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347384348 386376659 /nfs/dbraw/zinc/37/66/59/386376659.db2.gz OSNYQBJAJFCKFG-PWSUYJOCSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347384348 386376665 /nfs/dbraw/zinc/37/66/65/386376665.db2.gz OSNYQBJAJFCKFG-PWSUYJOCSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccon1 ZINC000265827879 386376727 /nfs/dbraw/zinc/37/67/27/386376727.db2.gz JTDHJAJFAABKDQ-KOLCDFICSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccon1 ZINC000265827879 386376732 /nfs/dbraw/zinc/37/67/32/386376732.db2.gz JTDHJAJFAABKDQ-KOLCDFICSA-N 1 2 210.277 1.674 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000336698437 386380532 /nfs/dbraw/zinc/38/05/32/386380532.db2.gz IXHMCEMXTVNULG-JTQLQIEISA-N 1 2 221.304 1.253 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000336698437 386380535 /nfs/dbraw/zinc/38/05/35/386380535.db2.gz IXHMCEMXTVNULG-JTQLQIEISA-N 1 2 221.304 1.253 20 0 BDADLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)no1 ZINC000265947936 386387685 /nfs/dbraw/zinc/38/76/85/386387685.db2.gz SNVGLVZLIBVICA-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347398584 386384823 /nfs/dbraw/zinc/38/48/23/386384823.db2.gz YBMSFNDXYQFIQR-GFCCVEGCSA-N 1 2 228.311 1.289 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347398584 386384831 /nfs/dbraw/zinc/38/48/31/386384831.db2.gz YBMSFNDXYQFIQR-GFCCVEGCSA-N 1 2 228.311 1.289 20 0 BDADLO O=C(CC1CC1)NCCc1cn2ccccc2[nH+]1 ZINC000298346421 386327123 /nfs/dbraw/zinc/32/71/23/386327123.db2.gz NQNWMGRRUXYRED-UHFFFAOYSA-N 1 2 243.310 1.793 20 0 BDADLO CC/C=C/CNC(=O)NCCNc1cccc[nH+]1 ZINC000298342490 386328002 /nfs/dbraw/zinc/32/80/02/386328002.db2.gz GNOTZJRFAUABLU-HWKANZROSA-N 1 2 248.330 1.759 20 0 BDADLO CC(C)[C@@H](NC(=O)C1=COCCC1)c1[nH]cc[nH+]1 ZINC000276481833 386329878 /nfs/dbraw/zinc/32/98/78/386329878.db2.gz DZSMSUCNPMQMMN-LLVKDONJSA-N 1 2 249.314 1.917 20 0 BDADLO COCc1noc(COc2cc[nH+]cc2)n1 ZINC000276490485 386332168 /nfs/dbraw/zinc/33/21/68/386332168.db2.gz UWEMVCDKBQOAJN-UHFFFAOYSA-N 1 2 221.216 1.190 20 0 BDADLO Cc1cn2cc(NC(=O)c3ccon3)ccc2[nH+]1 ZINC000339269814 386332926 /nfs/dbraw/zinc/33/29/26/386332926.db2.gz KUHPTFQEUQXAEN-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccn(C)n2)o1 ZINC000336680436 386333776 /nfs/dbraw/zinc/33/37/76/386333776.db2.gz QCYGAQQBXWZMOP-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccn(C)n2)o1 ZINC000336680436 386333782 /nfs/dbraw/zinc/33/37/82/386333782.db2.gz QCYGAQQBXWZMOP-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2cc(C)on2)c1 ZINC000336680648 386334665 /nfs/dbraw/zinc/33/46/65/386334665.db2.gz BEBCQETUZMALTL-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2cc(C)on2)c1 ZINC000336680648 386334666 /nfs/dbraw/zinc/33/46/66/386334666.db2.gz BEBCQETUZMALTL-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cs1 ZINC000336680510 386334871 /nfs/dbraw/zinc/33/48/71/386334871.db2.gz QPTNCDIXTANKRR-WPRPVWTQSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cs1 ZINC000336680510 386334873 /nfs/dbraw/zinc/33/48/73/386334873.db2.gz QPTNCDIXTANKRR-WPRPVWTQSA-N 1 2 242.344 1.245 20 0 BDADLO Cc1cn2cc(NC(=O)c3cn[nH]c3)ccc2[nH+]1 ZINC000339272067 386336940 /nfs/dbraw/zinc/33/69/40/386336940.db2.gz NBPCFTQEXQZVAH-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1ncc(C)cn1 ZINC000336717110 386437225 /nfs/dbraw/zinc/43/72/25/386437225.db2.gz XTYOKFBQJLMHTJ-JTQLQIEISA-N 1 2 209.293 1.252 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1ncc(C)cn1 ZINC000336717110 386437228 /nfs/dbraw/zinc/43/72/28/386437228.db2.gz XTYOKFBQJLMHTJ-JTQLQIEISA-N 1 2 209.293 1.252 20 0 BDADLO CC(=O)c1ccc(N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000290480586 386443135 /nfs/dbraw/zinc/44/31/35/386443135.db2.gz HWXFVOOTNUXOEM-SNVBAGLBSA-N 1 2 244.298 1.981 20 0 BDADLO c1nnsc1C[NH+]1CCSCC1 ZINC000290087865 386392505 /nfs/dbraw/zinc/39/25/05/386392505.db2.gz RBEHGFJQOKTBCB-UHFFFAOYSA-N 1 2 201.320 1.087 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCO[C@@H](C)C2)nc1 ZINC000336706436 386397704 /nfs/dbraw/zinc/39/77/04/386397704.db2.gz RQUWRLGQWBVGJF-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCCO[C@@H](C)C2)nc1 ZINC000336706436 386397712 /nfs/dbraw/zinc/39/77/12/386397712.db2.gz RQUWRLGQWBVGJF-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000290164291 386401795 /nfs/dbraw/zinc/40/17/95/386401795.db2.gz XVWWVSQUHJSGSZ-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000290164291 386401797 /nfs/dbraw/zinc/40/17/97/386401797.db2.gz XVWWVSQUHJSGSZ-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266168482 386406063 /nfs/dbraw/zinc/40/60/63/386406063.db2.gz YFYQDLGARIPARB-VIFPVBQESA-N 1 2 233.271 1.698 20 0 BDADLO C[C@@H](CNC(=O)CC(C)(F)F)Cn1cc[nH+]c1 ZINC000277108707 386407532 /nfs/dbraw/zinc/40/75/32/386407532.db2.gz MFKHEOIZYFCPJN-VIFPVBQESA-N 1 2 245.273 1.681 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000452572642 386411897 /nfs/dbraw/zinc/41/18/97/386411897.db2.gz UINNVGQRVLZMLG-WDEREUQCSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc[nH]2)nn1C ZINC000336708567 386417261 /nfs/dbraw/zinc/41/72/61/386417261.db2.gz VCPQIYSQLGQJEJ-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc[nH]2)nn1C ZINC000336708567 386417264 /nfs/dbraw/zinc/41/72/64/386417264.db2.gz VCPQIYSQLGQJEJ-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCC(F)(F)F ZINC000266329352 386426347 /nfs/dbraw/zinc/42/63/47/386426347.db2.gz JPPQJDNGVCGTEQ-UHFFFAOYSA-N 1 2 249.236 1.721 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](C)[C@@H]2CCCO2)no1 ZINC000183153778 386452192 /nfs/dbraw/zinc/45/21/92/386452192.db2.gz MKXKEKRSYSYDMR-UWVGGRQHSA-N 1 2 239.319 1.679 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](CO)C(C)(C)C)no1 ZINC000134402147 386427621 /nfs/dbraw/zinc/42/76/21/386427621.db2.gz YYODSSKHMPUHQU-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](CO)C(C)(C)C)no1 ZINC000134402147 386427623 /nfs/dbraw/zinc/42/76/23/386427623.db2.gz YYODSSKHMPUHQU-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO C[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000164917267 386428424 /nfs/dbraw/zinc/42/84/24/386428424.db2.gz QABRXOZDCVSYGZ-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)nn1 ZINC000414432197 386433822 /nfs/dbraw/zinc/43/38/22/386433822.db2.gz ISOQZNLLNOAPCL-SRVKXCTJSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)nn1 ZINC000414432197 386433828 /nfs/dbraw/zinc/43/38/28/386433828.db2.gz ISOQZNLLNOAPCL-SRVKXCTJSA-N 1 2 235.331 1.783 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000336327649 386469559 /nfs/dbraw/zinc/46/95/59/386469559.db2.gz WYAAEUDGIYZFRA-GHMZBOCLSA-N 1 2 247.342 1.782 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339574720 386472159 /nfs/dbraw/zinc/47/21/59/386472159.db2.gz BWRRJFBNKYONKD-VHSXEESVSA-N 1 2 222.336 1.837 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000339574720 386472164 /nfs/dbraw/zinc/47/21/64/386472164.db2.gz BWRRJFBNKYONKD-VHSXEESVSA-N 1 2 222.336 1.837 20 0 BDADLO CC[N@H+](CCOC)Cc1nccn1C(C)C ZINC000299631677 386476071 /nfs/dbraw/zinc/47/60/71/386476071.db2.gz TUDVREMELDOLBQ-UHFFFAOYSA-N 1 2 225.336 1.932 20 0 BDADLO CC[N@@H+](CCOC)Cc1nccn1C(C)C ZINC000299631677 386476079 /nfs/dbraw/zinc/47/60/79/386476079.db2.gz TUDVREMELDOLBQ-UHFFFAOYSA-N 1 2 225.336 1.932 20 0 BDADLO CCCCOCCNC(=O)CCn1cc[nH+]c1 ZINC000299648715 386476986 /nfs/dbraw/zinc/47/69/86/386476986.db2.gz KEMKJUVOTNMCJT-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO O=C(CCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000290861699 386480311 /nfs/dbraw/zinc/48/03/11/386480311.db2.gz BRQDZHMTVHMLIL-UHFFFAOYSA-N 1 2 219.288 1.416 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1n[nH]cc1C ZINC000290845134 386480613 /nfs/dbraw/zinc/48/06/13/386480613.db2.gz JFIJPOZUCXTAEO-LBPRGKRZSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1n[nH]cc1C ZINC000290845134 386480621 /nfs/dbraw/zinc/48/06/21/386480621.db2.gz JFIJPOZUCXTAEO-LBPRGKRZSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)CC(C)(C)C ZINC000227375004 386480619 /nfs/dbraw/zinc/48/06/19/386480619.db2.gz BQJODOVAMMCVPM-LLVKDONJSA-N 1 2 225.336 1.605 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000061744240 386482494 /nfs/dbraw/zinc/48/24/94/386482494.db2.gz MJJQPQUDCOSSOF-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000061744240 386482499 /nfs/dbraw/zinc/48/24/99/386482499.db2.gz MJJQPQUDCOSSOF-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO c1coc(SCCC[NH+]2CCOCC2)n1 ZINC000278020319 386485609 /nfs/dbraw/zinc/48/56/09/386485609.db2.gz PYYGAXXXGXNILE-UHFFFAOYSA-N 1 2 228.317 1.489 20 0 BDADLO COC1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000335430951 386486123 /nfs/dbraw/zinc/48/61/23/386486123.db2.gz QQPNAAONCITERH-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000227493462 386486564 /nfs/dbraw/zinc/48/65/64/386486564.db2.gz XSXCISCXBNDEDI-CYBMUJFWSA-N 1 2 249.310 1.220 20 0 BDADLO Cc1c[nH+]c(CN[C@H]2CCC[C@@H]2F)n1C ZINC000339586003 386488545 /nfs/dbraw/zinc/48/85/45/386488545.db2.gz DMLSYIGPGXSOIP-UWVGGRQHSA-N 1 2 211.284 1.709 20 0 BDADLO Cc1c[nH+]c(CN[C@@H]2CCC[C@H]2F)n1C ZINC000339586002 386489596 /nfs/dbraw/zinc/48/95/96/386489596.db2.gz DMLSYIGPGXSOIP-NXEZZACHSA-N 1 2 211.284 1.709 20 0 BDADLO CC(C)(C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290938073 386490385 /nfs/dbraw/zinc/49/03/85/386490385.db2.gz NXYNBDRLTROZFI-UHFFFAOYSA-N 1 2 233.315 1.662 20 0 BDADLO Cc1noc(C)c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290956974 386491441 /nfs/dbraw/zinc/49/14/41/386491441.db2.gz QZQQEJPHKUGCAT-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000519558557 386491714 /nfs/dbraw/zinc/49/17/14/386491714.db2.gz UUKKZDUKBXEVNE-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000519558557 386491720 /nfs/dbraw/zinc/49/17/20/386491720.db2.gz UUKKZDUKBXEVNE-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)n1nnnc1SCc1c[nH+]cn1C ZINC000267158733 386501994 /nfs/dbraw/zinc/50/19/94/386501994.db2.gz QFMGQVLPVRLNHI-UHFFFAOYSA-N 1 2 238.320 1.280 20 0 BDADLO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2csnn2)C1 ZINC000647971525 386506469 /nfs/dbraw/zinc/50/64/69/386506469.db2.gz MOGSFNSZYRTJSX-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2csnn2)C1 ZINC000647971525 386506472 /nfs/dbraw/zinc/50/64/72/386506472.db2.gz MOGSFNSZYRTJSX-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267195302 386509559 /nfs/dbraw/zinc/50/95/59/386509559.db2.gz NLIQPBKNZJARQU-LDYMZIIASA-N 1 2 238.718 1.961 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267195302 386509565 /nfs/dbraw/zinc/50/95/65/386509565.db2.gz NLIQPBKNZJARQU-LDYMZIIASA-N 1 2 238.718 1.961 20 0 BDADLO CC(C)(C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343232821 386516330 /nfs/dbraw/zinc/51/63/30/386516330.db2.gz OHKNALLJVPLOBF-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000291186379 386520799 /nfs/dbraw/zinc/52/07/99/386520799.db2.gz OTPCUNBHXSRQKY-VXGBXAGGSA-N 1 2 228.299 1.793 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000291186379 386520802 /nfs/dbraw/zinc/52/08/02/386520802.db2.gz OTPCUNBHXSRQKY-VXGBXAGGSA-N 1 2 228.299 1.793 20 0 BDADLO CC/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC000452611787 386522289 /nfs/dbraw/zinc/52/22/89/386522289.db2.gz KAFGZDALOXRISG-ARJAWSKDSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1nsc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC000336754741 386525084 /nfs/dbraw/zinc/52/50/84/386525084.db2.gz XEEOYSRHNGXZQT-GMSGAONNSA-N 1 2 238.360 1.163 20 0 BDADLO Cc1nsc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000336754741 386525091 /nfs/dbraw/zinc/52/50/91/386525091.db2.gz XEEOYSRHNGXZQT-GMSGAONNSA-N 1 2 238.360 1.163 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)CCn1cc[nH+]c1 ZINC000291243428 386527118 /nfs/dbraw/zinc/52/71/18/386527118.db2.gz LIOIFFYOEDWBJV-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277685019 386457977 /nfs/dbraw/zinc/45/79/77/386457977.db2.gz QMLHRRNDAPQBNE-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277685019 386457984 /nfs/dbraw/zinc/45/79/84/386457984.db2.gz QMLHRRNDAPQBNE-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO CC(C)[C@]1(C)CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000267719117 386575554 /nfs/dbraw/zinc/57/55/54/386575554.db2.gz ARQZBWKWBWUACT-ZDUSSCGKSA-N 1 2 249.314 1.341 20 0 BDADLO CCC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000267713379 386576105 /nfs/dbraw/zinc/57/61/05/386576105.db2.gz OTIYGNZFKYXJIR-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1occc1C[N@H+]1CCN(CCO)C[C@H]1C ZINC000414458726 386578285 /nfs/dbraw/zinc/57/82/85/386578285.db2.gz KUURKDXCKRJVBB-LLVKDONJSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1occc1C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000414458726 386578287 /nfs/dbraw/zinc/57/82/87/386578287.db2.gz KUURKDXCKRJVBB-LLVKDONJSA-N 1 2 238.331 1.086 20 0 BDADLO C[C@@H]1[N@H+](Cc2cncn2C)CCOC1(C)C ZINC000335418877 386587335 /nfs/dbraw/zinc/58/73/35/386587335.db2.gz JTFGVHBAVGILNZ-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1[N@@H+](Cc2cncn2C)CCOC1(C)C ZINC000335418877 386587343 /nfs/dbraw/zinc/58/73/43/386587343.db2.gz JTFGVHBAVGILNZ-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1N(Cc2c[nH+]cn2C)CCOC1(C)C ZINC000335418877 386587347 /nfs/dbraw/zinc/58/73/47/386587347.db2.gz JTFGVHBAVGILNZ-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2CC2)C1 ZINC000335418776 386588204 /nfs/dbraw/zinc/58/82/04/386588204.db2.gz VLOHJBXLGRIRET-NSHDSACASA-N 1 2 248.330 1.329 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CCC1 ZINC000278837300 386593222 /nfs/dbraw/zinc/59/32/22/386593222.db2.gz KDSXXAKILCZBJK-UHFFFAOYSA-N 1 2 207.277 1.272 20 0 BDADLO CC[C@](C)(CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000278473391 386530876 /nfs/dbraw/zinc/53/08/76/386530876.db2.gz XAARWDBWXXXJDR-ZYOFXKKJSA-N 1 2 237.303 1.090 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000291303712 386532901 /nfs/dbraw/zinc/53/29/01/386532901.db2.gz QYNLMXFSDKIXNN-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1cccnc1 ZINC000291303712 386532905 /nfs/dbraw/zinc/53/29/05/386532905.db2.gz QYNLMXFSDKIXNN-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncn2C)CC2(CCC2)O1 ZINC000335460708 386541112 /nfs/dbraw/zinc/54/11/12/386541112.db2.gz CQAVRSODEZSCIG-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncn2C)CC2(CCC2)O1 ZINC000335460708 386541114 /nfs/dbraw/zinc/54/11/14/386541114.db2.gz CQAVRSODEZSCIG-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]cn2C)CC2(CCC2)O1 ZINC000335460708 386541119 /nfs/dbraw/zinc/54/11/19/386541119.db2.gz CQAVRSODEZSCIG-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC2(CCC2)O1 ZINC000335462235 386545128 /nfs/dbraw/zinc/54/51/28/386545128.db2.gz MABMYKDNMMKYHC-SNVBAGLBSA-N 1 2 221.304 1.553 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)CC2(CCC2)O1 ZINC000335463672 386548537 /nfs/dbraw/zinc/54/85/37/386548537.db2.gz MWDXEFXAECGQGW-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)CC2(CCC2)O1 ZINC000335463672 386548541 /nfs/dbraw/zinc/54/85/41/386548541.db2.gz MWDXEFXAECGQGW-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO Cn1nncc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000267525191 386551023 /nfs/dbraw/zinc/55/10/23/386551023.db2.gz PGLSNYUMXHNSRC-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO C[C@@H](C[S@](C)=O)N(C)c1cccc[nH+]1 ZINC000278857181 386597325 /nfs/dbraw/zinc/59/73/25/386597325.db2.gz XZIUWIGUGUKYPQ-XPTSAGLGSA-N 1 2 212.318 1.285 20 0 BDADLO CC[C@@H](CO)[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000336931225 386553602 /nfs/dbraw/zinc/55/36/02/386553602.db2.gz PSXWENMNGJAUDT-QMMMGPOBSA-N 1 2 237.278 1.317 20 0 BDADLO COCc1ccc(CN2CCn3c[nH+]cc3C2)o1 ZINC000291522443 386554428 /nfs/dbraw/zinc/55/44/28/386554428.db2.gz JGFOPUXSZLGLCL-UHFFFAOYSA-N 1 2 247.298 1.638 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccco1 ZINC000278616680 386554942 /nfs/dbraw/zinc/55/49/42/386554942.db2.gz MFKMIAQTDPXPCF-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(C)no2)C1 ZINC000267620965 386563965 /nfs/dbraw/zinc/56/39/65/386563965.db2.gz DNTDMGQQTXBBOO-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(C)no2)C1 ZINC000267620965 386563969 /nfs/dbraw/zinc/56/39/69/386563969.db2.gz DNTDMGQQTXBBOO-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000267634805 386565215 /nfs/dbraw/zinc/56/52/15/386565215.db2.gz HMBQBWLXAOAJKB-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000267634805 386565216 /nfs/dbraw/zinc/56/52/16/386565216.db2.gz HMBQBWLXAOAJKB-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@H]([NH2+]Cc1cn[nH]c1C)[C@@H]1CCCO1 ZINC000278710781 386569652 /nfs/dbraw/zinc/56/96/52/386569652.db2.gz RTHJGSGLBHAGPC-RYUDHWBXSA-N 1 2 239.319 1.002 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1n[nH]cc1C ZINC000644920726 386620190 /nfs/dbraw/zinc/62/01/90/386620190.db2.gz CIYVBPYLZICCDI-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000292133105 386622485 /nfs/dbraw/zinc/62/24/85/386622485.db2.gz IOHDVMHSFWIJDO-SNVBAGLBSA-N 1 2 224.304 1.497 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000292133105 386622490 /nfs/dbraw/zinc/62/24/90/386622490.db2.gz IOHDVMHSFWIJDO-SNVBAGLBSA-N 1 2 224.304 1.497 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1occc1C ZINC000292128307 386622796 /nfs/dbraw/zinc/62/27/96/386622796.db2.gz IFDGCBKTYBLYNY-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1occc1C ZINC000292128307 386622802 /nfs/dbraw/zinc/62/28/02/386622802.db2.gz IFDGCBKTYBLYNY-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO CCc1cc(N)nc(SCCOC)[nH+]1 ZINC000279068486 386628642 /nfs/dbraw/zinc/62/86/42/386628642.db2.gz JTEIZRXNIONYLR-UHFFFAOYSA-N 1 2 213.306 1.360 20 0 BDADLO CC[C@@H](C)C[S@@](=O)Cc1c[nH+]cn1C ZINC000268186988 386629494 /nfs/dbraw/zinc/62/94/94/386629494.db2.gz UZBNJXSIIOKJHC-YMTOWFKASA-N 1 2 214.334 1.715 20 0 BDADLO CO[C@@](C)(C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000292191274 386630474 /nfs/dbraw/zinc/63/04/74/386630474.db2.gz QYDPZBMNYXDTIJ-GFCCVEGCSA-N 1 2 237.303 1.149 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC000190746496 386631346 /nfs/dbraw/zinc/63/13/46/386631346.db2.gz WORDYGYBYOVGDM-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO CN1CCC[C@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000644933436 386631596 /nfs/dbraw/zinc/63/15/96/386631596.db2.gz YKNVINDOSCHXTQ-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO CN1CCC[C@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000644933436 386631603 /nfs/dbraw/zinc/63/16/03/386631603.db2.gz YKNVINDOSCHXTQ-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO COC[C@@](C)([NH2+]CCCC(C)(C)C)C(=O)OC ZINC000337170439 386632350 /nfs/dbraw/zinc/63/23/50/386632350.db2.gz CVCXAGVXDYHOFH-CYBMUJFWSA-N 1 2 245.363 1.980 20 0 BDADLO Cn1ncc(C[NH2+]C(C)(C)c2ccccc2F)n1 ZINC000292208408 386634400 /nfs/dbraw/zinc/63/44/00/386634400.db2.gz SXUXUPOJVNDCOH-UHFFFAOYSA-N 1 2 248.305 1.979 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)ncn1 ZINC000292270209 386643205 /nfs/dbraw/zinc/64/32/05/386643205.db2.gz WSUPETYVELSBFM-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2)ncn1 ZINC000292270209 386643206 /nfs/dbraw/zinc/64/32/06/386643206.db2.gz WSUPETYVELSBFM-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ccnc(N(C)CC[NH+]2CCOCC2)c1 ZINC000268340682 386644614 /nfs/dbraw/zinc/64/46/14/386644614.db2.gz SAVXPXUSSSMLCE-UHFFFAOYSA-N 1 2 235.331 1.158 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000279192704 386645618 /nfs/dbraw/zinc/64/56/18/386645618.db2.gz LQNYDPSDGQSZDZ-PHIMTYICSA-N 1 2 233.315 1.601 20 0 BDADLO CN(c1[nH+]c2ccccc2n1C)[C@@H]1CCNC1=O ZINC000328918738 386651573 /nfs/dbraw/zinc/65/15/73/386651573.db2.gz SFHWHPPOJZQCJB-LLVKDONJSA-N 1 2 244.298 1.738 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CC(C)(C(N)=O)C1 ZINC000335424085 386599291 /nfs/dbraw/zinc/59/92/91/386599291.db2.gz OGULZHUCJAYLBA-UHFFFAOYSA-N 1 2 242.710 1.431 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)cn1 ZINC000278884516 386600121 /nfs/dbraw/zinc/60/01/21/386600121.db2.gz OMPIQSJBWBSISR-VIFPVBQESA-N 1 2 246.318 1.515 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]1C1CC1 ZINC000335491209 386609087 /nfs/dbraw/zinc/60/90/87/386609087.db2.gz LWTVLQXBDUMAPI-YPMHNXCESA-N 1 2 245.326 1.456 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000335490976 386609593 /nfs/dbraw/zinc/60/95/93/386609593.db2.gz HTSOKVKDDRTFPX-QWRGUYRKSA-N 1 2 245.326 1.362 20 0 BDADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(C)n1 ZINC000268029783 386609666 /nfs/dbraw/zinc/60/96/66/386609666.db2.gz XDDICNLCWWNBPI-UHFFFAOYSA-N 1 2 244.298 1.924 20 0 BDADLO COC(=O)CCC(=O)Nc1ccc(C)[nH+]c1C ZINC000268011748 386610245 /nfs/dbraw/zinc/61/02/45/386610245.db2.gz QCHUORNYWHAIQX-UHFFFAOYSA-N 1 2 236.271 1.590 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)CC2)s1 ZINC000339775578 386613559 /nfs/dbraw/zinc/61/35/59/386613559.db2.gz GETJKYHOLNATAJ-SECBINFHSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)CC2)s1 ZINC000339775578 386613561 /nfs/dbraw/zinc/61/35/61/386613561.db2.gz GETJKYHOLNATAJ-SECBINFHSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)CCn2cccn2)o1 ZINC000357001082 386682161 /nfs/dbraw/zinc/68/21/61/386682161.db2.gz DYTGXFGKQZVXPG-LLVKDONJSA-N 1 2 234.303 1.873 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)CCn2cccn2)o1 ZINC000357001082 386682171 /nfs/dbraw/zinc/68/21/71/386682171.db2.gz DYTGXFGKQZVXPG-LLVKDONJSA-N 1 2 234.303 1.873 20 0 BDADLO CCN(C[C@@H](C)OC)c1cc[nH+]c(C)n1 ZINC000292394140 386663149 /nfs/dbraw/zinc/66/31/49/386663149.db2.gz RCFMEGYYHCDCSB-SECBINFHSA-N 1 2 209.293 1.646 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000520416489 386670385 /nfs/dbraw/zinc/67/03/85/386670385.db2.gz GGKGUZUOBOLIEM-DTWKUNHWSA-N 1 2 221.304 1.807 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ncn1 ZINC000292439577 386671406 /nfs/dbraw/zinc/67/14/06/386671406.db2.gz NCXVYABDOTTXNC-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCCC3)C2)ncn1 ZINC000292439577 386671412 /nfs/dbraw/zinc/67/14/12/386671412.db2.gz NCXVYABDOTTXNC-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292458846 386673580 /nfs/dbraw/zinc/67/35/80/386673580.db2.gz OXKMOHNOAHQEGK-ZJUUUORDSA-N 1 2 234.303 1.064 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1cnn(C)c1 ZINC000124697805 386681001 /nfs/dbraw/zinc/68/10/01/386681001.db2.gz JVAZAECWOYXYDM-RKDXNWHRSA-N 1 2 219.292 1.555 20 0 BDADLO Cn1cc[nH+]c1CN1CC(C)(CC(F)F)C1 ZINC000648058694 386681645 /nfs/dbraw/zinc/68/16/45/386681645.db2.gz YLALYAABIASXOV-UHFFFAOYSA-N 1 2 229.274 1.897 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cnn(C)c1 ZINC000124697311 386681772 /nfs/dbraw/zinc/68/17/72/386681772.db2.gz JVAZAECWOYXYDM-IUCAKERBSA-N 1 2 219.292 1.555 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000414473516 386657275 /nfs/dbraw/zinc/65/72/75/386657275.db2.gz VROWNWILBSIHMN-GFCCVEGCSA-N 1 2 239.290 1.866 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000414473516 386657281 /nfs/dbraw/zinc/65/72/81/386657281.db2.gz VROWNWILBSIHMN-GFCCVEGCSA-N 1 2 239.290 1.866 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccccc1 ZINC000279280822 386657889 /nfs/dbraw/zinc/65/78/89/386657889.db2.gz XLUYUYQELKACOX-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@@](C)(OC)C1(C)C)C(=O)OC ZINC000192854520 386685542 /nfs/dbraw/zinc/68/55/42/386685542.db2.gz CUFABOFNFQRCIC-OUJBWJOFSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](C)C(=O)OC(C)C)C(=O)OC ZINC000192853676 386686581 /nfs/dbraw/zinc/68/65/81/386686581.db2.gz VTOKRUSVFYBPHT-ZJUUUORDSA-N 1 2 245.319 1.115 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000246943853 386687180 /nfs/dbraw/zinc/68/71/80/386687180.db2.gz CJFTYHWCHQBVBO-RYUDHWBXSA-N 1 2 239.315 1.732 20 0 BDADLO CC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000246943853 386687182 /nfs/dbraw/zinc/68/71/82/386687182.db2.gz CJFTYHWCHQBVBO-RYUDHWBXSA-N 1 2 239.315 1.732 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1cccc(O)c1 ZINC000520527335 386690725 /nfs/dbraw/zinc/69/07/25/386690725.db2.gz APDBKNOXKIOOHN-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000520527335 386690734 /nfs/dbraw/zinc/69/07/34/386690734.db2.gz APDBKNOXKIOOHN-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CSCC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000330380885 386694082 /nfs/dbraw/zinc/69/40/82/386694082.db2.gz MUFIRCDBEAMTEU-UHFFFAOYSA-N 1 2 241.360 1.458 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000340687993 386696414 /nfs/dbraw/zinc/69/64/14/386696414.db2.gz IKCSJPUKZCOSHZ-SNVBAGLBSA-N 1 2 222.288 1.773 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000340687993 386696418 /nfs/dbraw/zinc/69/64/18/386696418.db2.gz IKCSJPUKZCOSHZ-SNVBAGLBSA-N 1 2 222.288 1.773 20 0 BDADLO COC(=O)C1([NH2+]CCCO)CCC(C)CC1 ZINC000336760109 386698110 /nfs/dbraw/zinc/69/81/10/386698110.db2.gz JNZYXSNGDXCJPB-UHFFFAOYSA-N 1 2 229.320 1.080 20 0 BDADLO OCc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000647938163 386698732 /nfs/dbraw/zinc/69/87/32/386698732.db2.gz RCCMOOWDFFWFSG-UHFFFAOYSA-N 1 2 243.310 1.391 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)CCn1cc[nH+]c1 ZINC000335475728 386699594 /nfs/dbraw/zinc/69/95/94/386699594.db2.gz UPGVWBZVYSQDSS-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000330430744 386712257 /nfs/dbraw/zinc/71/22/57/386712257.db2.gz IKBZGHMEFWLDNN-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000330430744 386712265 /nfs/dbraw/zinc/71/22/65/386712265.db2.gz IKBZGHMEFWLDNN-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1CC1(C)C ZINC000302856154 386732424 /nfs/dbraw/zinc/73/24/24/386732424.db2.gz LPCCYTWLIGEHPO-SECBINFHSA-N 1 2 231.303 1.598 20 0 BDADLO C[N@H+](CCO)Cc1ncc(C(C)(C)C)s1 ZINC000279775918 386733472 /nfs/dbraw/zinc/73/34/72/386733472.db2.gz GYERWPJLKNILJU-UHFFFAOYSA-N 1 2 228.361 1.865 20 0 BDADLO C[N@@H+](CCO)Cc1ncc(C(C)(C)C)s1 ZINC000279775918 386733478 /nfs/dbraw/zinc/73/34/78/386733478.db2.gz GYERWPJLKNILJU-UHFFFAOYSA-N 1 2 228.361 1.865 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000527032144 386735405 /nfs/dbraw/zinc/73/54/05/386735405.db2.gz MIEUPYRIRZUSDA-WDEREUQCSA-N 1 2 235.331 1.515 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC1)C2 ZINC000334140234 386740615 /nfs/dbraw/zinc/74/06/15/386740615.db2.gz DJKHSRLANWJYPF-SECBINFHSA-N 1 2 247.342 1.917 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC1)CC2 ZINC000334140234 386740620 /nfs/dbraw/zinc/74/06/20/386740620.db2.gz DJKHSRLANWJYPF-SECBINFHSA-N 1 2 247.342 1.917 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1n[nH]c2ccccc12 ZINC000648063082 386714276 /nfs/dbraw/zinc/71/42/76/386714276.db2.gz HNORTEXFBXSOHC-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1n[nH]c2ccccc12 ZINC000648063082 386714284 /nfs/dbraw/zinc/71/42/84/386714284.db2.gz HNORTEXFBXSOHC-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000352847559 386718481 /nfs/dbraw/zinc/71/84/81/386718481.db2.gz VDJHZPRZOHPLIG-CYBMUJFWSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000352847559 386718484 /nfs/dbraw/zinc/71/84/84/386718484.db2.gz VDJHZPRZOHPLIG-CYBMUJFWSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](CC3(F)CC3)C2)n[nH]1 ZINC000526984604 386719142 /nfs/dbraw/zinc/71/91/42/386719142.db2.gz SZQDSRYKRCRZKX-JTQLQIEISA-N 1 2 238.310 1.795 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](CC3(F)CC3)C2)n[nH]1 ZINC000526984604 386719149 /nfs/dbraw/zinc/71/91/49/386719149.db2.gz SZQDSRYKRCRZKX-JTQLQIEISA-N 1 2 238.310 1.795 20 0 BDADLO COCC1(C[N@@H+]2CCn3cc(C)nc3C2)CCC1 ZINC000643376500 386720732 /nfs/dbraw/zinc/72/07/32/386720732.db2.gz NTHPTQPLMGQBTF-UHFFFAOYSA-N 1 2 249.358 1.824 20 0 BDADLO COCC1(C[N@H+]2CCn3cc(C)nc3C2)CCC1 ZINC000643376500 386720735 /nfs/dbraw/zinc/72/07/35/386720735.db2.gz NTHPTQPLMGQBTF-UHFFFAOYSA-N 1 2 249.358 1.824 20 0 BDADLO COC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292758925 386722255 /nfs/dbraw/zinc/72/22/55/386722255.db2.gz OHYFHYLQJQHEFP-QWRGUYRKSA-N 1 2 245.269 1.590 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000335542506 386725103 /nfs/dbraw/zinc/72/51/03/386725103.db2.gz GJGUJOHPWSYMKN-VIFPVBQESA-N 1 2 243.738 1.278 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000335542506 386725111 /nfs/dbraw/zinc/72/51/11/386725111.db2.gz GJGUJOHPWSYMKN-VIFPVBQESA-N 1 2 243.738 1.278 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)on1 ZINC000268947736 386725450 /nfs/dbraw/zinc/72/54/50/386725450.db2.gz BRTOKNOLMHNRCW-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)on1 ZINC000268947736 386725454 /nfs/dbraw/zinc/72/54/54/386725454.db2.gz BRTOKNOLMHNRCW-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ccnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)n1 ZINC000330466669 386726169 /nfs/dbraw/zinc/72/61/69/386726169.db2.gz RLJBCPFARDCNQA-SNVBAGLBSA-N 1 2 236.319 1.825 20 0 BDADLO CC[C@@H](C)CSCC(=O)N1CC[NH+](C)CC1 ZINC000340695594 386728110 /nfs/dbraw/zinc/72/81/10/386728110.db2.gz MQJUXGOFLBSWPQ-LLVKDONJSA-N 1 2 244.404 1.540 20 0 BDADLO Cc1ccnc(N(C)CCCn2cc[nH+]c2)n1 ZINC000268966836 386728000 /nfs/dbraw/zinc/72/80/00/386728000.db2.gz NBBOJMZGTONEOC-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Cl)[C@H]1C ZINC000335538886 386745210 /nfs/dbraw/zinc/74/52/10/386745210.db2.gz OOKLZVDSAIDVHF-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)[C@H]1C ZINC000335538886 386745214 /nfs/dbraw/zinc/74/52/14/386745214.db2.gz OOKLZVDSAIDVHF-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000334152646 386752451 /nfs/dbraw/zinc/75/24/51/386752451.db2.gz XNYJFMNJFKHORM-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000334152646 386752456 /nfs/dbraw/zinc/75/24/56/386752456.db2.gz XNYJFMNJFKHORM-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cocn1 ZINC000192299794 386756394 /nfs/dbraw/zinc/75/63/94/386756394.db2.gz BZHLASTVIYBVEG-RKDXNWHRSA-N 1 2 225.292 1.067 20 0 BDADLO CC(=O)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000029594083 386758025 /nfs/dbraw/zinc/75/80/25/386758025.db2.gz DZEXJHJXMDKVTQ-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357319436 386759334 /nfs/dbraw/zinc/75/93/34/386759334.db2.gz UYXMCQLJEATAEU-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357319436 386759339 /nfs/dbraw/zinc/75/93/39/386759339.db2.gz UYXMCQLJEATAEU-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO Cc1ccc(CCC[NH2+]C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000414844248 386762519 /nfs/dbraw/zinc/76/25/19/386762519.db2.gz CPFAFWLDJXBDID-HNNXBMFYSA-N 1 2 247.386 1.912 20 0 BDADLO CCCCC[S@](=O)Cc1c[nH+]cn1C ZINC000340763409 386768663 /nfs/dbraw/zinc/76/86/63/386768663.db2.gz KFIDFPXYBXJDKT-AWEZNQCLSA-N 1 2 214.334 1.859 20 0 BDADLO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877376 386795272 /nfs/dbraw/zinc/79/52/72/386795272.db2.gz BBBYTTBGPUFVFC-ZJUUUORDSA-N 1 2 238.335 1.911 20 0 BDADLO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877376 386795281 /nfs/dbraw/zinc/79/52/81/386795281.db2.gz BBBYTTBGPUFVFC-ZJUUUORDSA-N 1 2 238.335 1.911 20 0 BDADLO CCSCC[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000336761619 386775277 /nfs/dbraw/zinc/77/52/77/386775277.db2.gz MVAYCLGQEOYQPJ-ZJUUUORDSA-N 1 2 233.377 1.917 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccnc2)ncn1 ZINC000293100476 386776873 /nfs/dbraw/zinc/77/68/73/386776873.db2.gz JBLHGKYVKXXKRX-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccnc2)ncn1 ZINC000293100476 386776883 /nfs/dbraw/zinc/77/68/83/386776883.db2.gz JBLHGKYVKXXKRX-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO COCc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000344868659 386783987 /nfs/dbraw/zinc/78/39/87/386783987.db2.gz WYIIHUWXCOUPTN-UWVGGRQHSA-N 1 2 243.278 1.331 20 0 BDADLO COCc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)o1 ZINC000344868659 386783995 /nfs/dbraw/zinc/78/39/95/386783995.db2.gz WYIIHUWXCOUPTN-UWVGGRQHSA-N 1 2 243.278 1.331 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000344867318 386784904 /nfs/dbraw/zinc/78/49/04/386784904.db2.gz RVSJEIOBJAYFGD-ZJUUUORDSA-N 1 2 227.279 1.747 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000344867318 386784910 /nfs/dbraw/zinc/78/49/10/386784910.db2.gz RVSJEIOBJAYFGD-ZJUUUORDSA-N 1 2 227.279 1.747 20 0 BDADLO CC(C)c1nc(NCc2cc[nH]c(=O)c2)cc[nH+]1 ZINC000340837101 386785716 /nfs/dbraw/zinc/78/57/16/386785716.db2.gz UQVSKNXVLSYFCB-UHFFFAOYSA-N 1 2 244.298 1.735 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000639276993 386787394 /nfs/dbraw/zinc/78/73/94/386787394.db2.gz IPBBEDBFBKUXGM-YPMHNXCESA-N 1 2 246.289 1.542 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CCC(N)=O ZINC000330619516 386822634 /nfs/dbraw/zinc/82/26/34/386822634.db2.gz ZDKJWXVKMFJTNG-UHFFFAOYSA-N 1 2 225.296 1.216 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CCC(N)=O ZINC000330619516 386822639 /nfs/dbraw/zinc/82/26/39/386822639.db2.gz ZDKJWXVKMFJTNG-UHFFFAOYSA-N 1 2 225.296 1.216 20 0 BDADLO Cc1nc(C)n(Cc2ccc(C)[nH+]c2C)n1 ZINC000335905196 386797599 /nfs/dbraw/zinc/79/75/99/386797599.db2.gz AWQWVTMSNKFRKG-UHFFFAOYSA-N 1 2 216.288 1.955 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344864918 386807752 /nfs/dbraw/zinc/80/77/52/386807752.db2.gz LUDTZRCAMFDDDV-NEPJUHHUSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)cn1 ZINC000344864918 386807754 /nfs/dbraw/zinc/80/77/54/386807754.db2.gz LUDTZRCAMFDDDV-NEPJUHHUSA-N 1 2 241.310 1.369 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1CCC1 ZINC000280440082 386814797 /nfs/dbraw/zinc/81/47/97/386814797.db2.gz YBKDVOUOKASOFK-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000329928859 386814789 /nfs/dbraw/zinc/81/47/89/386814789.db2.gz YHDLXIRXCXZUSU-UMNHJUIQSA-N 1 2 248.330 1.556 20 0 BDADLO Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000329928859 386814792 /nfs/dbraw/zinc/81/47/92/386814792.db2.gz YHDLXIRXCXZUSU-UMNHJUIQSA-N 1 2 248.330 1.556 20 0 BDADLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1O ZINC000357613152 386815256 /nfs/dbraw/zinc/81/52/56/386815256.db2.gz GENBBBSNDWVQMG-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO Cc1c[nH+]c(CNC(C)(C)c2noc(C)n2)n1C ZINC000341042859 386825834 /nfs/dbraw/zinc/82/58/34/386825834.db2.gz OGDSLUNOOMNZOF-UHFFFAOYSA-N 1 2 249.318 1.445 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cncc(F)c1 ZINC000293531676 386831739 /nfs/dbraw/zinc/83/17/39/386831739.db2.gz JLMJHLYDTUDHFH-NSHDSACASA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cncc(F)c1 ZINC000293531676 386831744 /nfs/dbraw/zinc/83/17/44/386831744.db2.gz JLMJHLYDTUDHFH-NSHDSACASA-N 1 2 210.252 1.441 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280680840 386834736 /nfs/dbraw/zinc/83/47/36/386834736.db2.gz UWROAXXGQZNDAY-VIFPVBQESA-N 1 2 207.277 1.257 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280680840 386834740 /nfs/dbraw/zinc/83/47/40/386834740.db2.gz UWROAXXGQZNDAY-VIFPVBQESA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c[nH]1 ZINC000293568193 386840605 /nfs/dbraw/zinc/84/06/05/386840605.db2.gz SLYQKZPIEYURQW-QMMMGPOBSA-N 1 2 236.250 1.169 20 0 BDADLO CN(CC1CCOCC1)c1cccc[nH+]1 ZINC000301456795 386846673 /nfs/dbraw/zinc/84/66/73/386846673.db2.gz XALDVWWRBGPBGP-UHFFFAOYSA-N 1 2 206.289 1.944 20 0 BDADLO C[C@H]1C[N@H+](CC2=CCCCC2)CC[S@]1=O ZINC000334790105 386853670 /nfs/dbraw/zinc/85/36/70/386853670.db2.gz LDXUBSSEBSQQNB-XHDPSFHLSA-N 1 2 227.373 1.940 20 0 BDADLO C[C@H]1C[N@@H+](CC2=CCCCC2)CC[S@]1=O ZINC000334790105 386853673 /nfs/dbraw/zinc/85/36/73/386853673.db2.gz LDXUBSSEBSQQNB-XHDPSFHLSA-N 1 2 227.373 1.940 20 0 BDADLO c1nnc([C@H]([NH2+]CC2CCC2)c2cccnc2)[nH]1 ZINC000293596556 386846847 /nfs/dbraw/zinc/84/68/47/386846847.db2.gz FUUVOSIIZHCRCS-GFCCVEGCSA-N 1 2 243.314 1.679 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nccn1C(C)C ZINC000293621169 386848247 /nfs/dbraw/zinc/84/82/47/386848247.db2.gz QHABUXGQCCLBCH-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nccn1C(C)C ZINC000293621169 386848250 /nfs/dbraw/zinc/84/82/50/386848250.db2.gz QHABUXGQCCLBCH-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H]1SC ZINC000425333275 386849230 /nfs/dbraw/zinc/84/92/30/386849230.db2.gz DXZSGPLQTMIIPS-GJMOJQLCSA-N 1 2 203.307 1.032 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000395083747 386850368 /nfs/dbraw/zinc/85/03/68/386850368.db2.gz XBNOSGUJCBEACX-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1noc(C[N@H+]2CCC[C@@H](O)[C@H]2C)n1 ZINC000395083747 386850370 /nfs/dbraw/zinc/85/03/70/386850370.db2.gz XBNOSGUJCBEACX-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000331421813 386851097 /nfs/dbraw/zinc/85/10/97/386851097.db2.gz RPKCIIRIJYXHKW-LLVKDONJSA-N 1 2 246.318 1.184 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000331421813 386851099 /nfs/dbraw/zinc/85/10/99/386851099.db2.gz RPKCIIRIJYXHKW-LLVKDONJSA-N 1 2 246.318 1.184 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOCC1CC1 ZINC000357877450 386857636 /nfs/dbraw/zinc/85/76/36/386857636.db2.gz ZUYRFYDKJOJENV-UVWXRNBGSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOCC1CC1 ZINC000357877450 386857639 /nfs/dbraw/zinc/85/76/39/386857639.db2.gz ZUYRFYDKJOJENV-UVWXRNBGSA-N 1 2 245.388 1.254 20 0 BDADLO CC(C)=CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000357883658 386858352 /nfs/dbraw/zinc/85/83/52/386858352.db2.gz TZWLFASTIABYLH-UHFFFAOYSA-N 1 2 235.335 1.436 20 0 BDADLO CC(C)=CCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000357883658 386858356 /nfs/dbraw/zinc/85/83/56/386858356.db2.gz TZWLFASTIABYLH-UHFFFAOYSA-N 1 2 235.335 1.436 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+]CC(F)(F)CO ZINC000425346860 386860330 /nfs/dbraw/zinc/86/03/30/386860330.db2.gz WYVDJQPAHFRDLD-RNFRBKRXSA-N 1 2 211.277 1.098 20 0 BDADLO Cc1occc1-c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000331516388 386865375 /nfs/dbraw/zinc/86/53/75/386865375.db2.gz DMGQIFQJIBBZFU-SNVBAGLBSA-N 1 2 249.270 1.641 20 0 BDADLO Cc1occc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000331516388 386865379 /nfs/dbraw/zinc/86/53/79/386865379.db2.gz DMGQIFQJIBBZFU-SNVBAGLBSA-N 1 2 249.270 1.641 20 0 BDADLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(Cl)o1 ZINC000349544770 386867811 /nfs/dbraw/zinc/86/78/11/386867811.db2.gz OEXQGVDBMDHJAY-UHFFFAOYSA-N 1 2 242.706 1.643 20 0 BDADLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(Cl)o1 ZINC000349544770 386867815 /nfs/dbraw/zinc/86/78/15/386867815.db2.gz OEXQGVDBMDHJAY-UHFFFAOYSA-N 1 2 242.706 1.643 20 0 BDADLO FC[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000334831380 386869121 /nfs/dbraw/zinc/86/91/21/386869121.db2.gz XWLFVWQMCLLUDY-GFCCVEGCSA-N 1 2 249.289 1.505 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334832620 386870674 /nfs/dbraw/zinc/87/06/74/386870674.db2.gz RGSSOGTYKRXKIQ-MNOVXSKESA-N 1 2 247.342 1.608 20 0 BDADLO CO[C@@H](c1noc(C[NH+](C)C)n1)C1CC1 ZINC000341274909 386875312 /nfs/dbraw/zinc/87/53/12/386875312.db2.gz SXGNXYYLTHMRIL-SECBINFHSA-N 1 2 211.265 1.229 20 0 BDADLO COC[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301779159 386878269 /nfs/dbraw/zinc/87/82/69/386878269.db2.gz MLRCMPHXRUWSAS-QMMMGPOBSA-N 1 2 232.287 1.659 20 0 BDADLO CC(C)(O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301791499 386880263 /nfs/dbraw/zinc/88/02/63/386880263.db2.gz QWCXDPNNQUGLNZ-UHFFFAOYSA-N 1 2 232.287 1.395 20 0 BDADLO CSCc1cnc(C[N@H+](C)[C@H](C)CO)s1 ZINC000293795158 386881149 /nfs/dbraw/zinc/88/11/49/386881149.db2.gz CUUGXPRHIGHPCX-MRVPVSSYSA-N 1 2 246.401 1.819 20 0 BDADLO CSCc1cnc(C[N@@H+](C)[C@H](C)CO)s1 ZINC000293795158 386881155 /nfs/dbraw/zinc/88/11/55/386881155.db2.gz CUUGXPRHIGHPCX-MRVPVSSYSA-N 1 2 246.401 1.819 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)ns1 ZINC000335755275 386882249 /nfs/dbraw/zinc/88/22/49/386882249.db2.gz AHCKVNKHWANFJV-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO C[C@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301898677 386888988 /nfs/dbraw/zinc/88/89/88/386888988.db2.gz SJYATXPFBGBVQR-MRVPVSSYSA-N 1 2 249.318 1.374 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnoc1C ZINC000335770247 386915977 /nfs/dbraw/zinc/91/59/77/386915977.db2.gz KERUZLICHQMGKS-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnoc1C ZINC000335770247 386915982 /nfs/dbraw/zinc/91/59/82/386915982.db2.gz KERUZLICHQMGKS-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)o1 ZINC000335761738 386900829 /nfs/dbraw/zinc/90/08/29/386900829.db2.gz PGECWOMLWRQJPT-JQWIXIFHSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)o1 ZINC000335761738 386900837 /nfs/dbraw/zinc/90/08/37/386900837.db2.gz PGECWOMLWRQJPT-JQWIXIFHSA-N 1 2 236.315 1.982 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366729504 386901030 /nfs/dbraw/zinc/90/10/30/386901030.db2.gz COXWMYHOJYTFQE-GFCCVEGCSA-N 1 2 229.320 1.091 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366729504 386901040 /nfs/dbraw/zinc/90/10/40/386901040.db2.gz COXWMYHOJYTFQE-GFCCVEGCSA-N 1 2 229.320 1.091 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c[nH]1 ZINC000335762951 386902173 /nfs/dbraw/zinc/90/21/73/386902173.db2.gz OHGIAQDUCAPUFN-QMMMGPOBSA-N 1 2 248.261 1.164 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c[nH]1 ZINC000335762951 386902177 /nfs/dbraw/zinc/90/21/77/386902177.db2.gz OHGIAQDUCAPUFN-QMMMGPOBSA-N 1 2 248.261 1.164 20 0 BDADLO CN(C)c1nccc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000330790843 386904924 /nfs/dbraw/zinc/90/49/24/386904924.db2.gz CJEPWNJFMKTMCC-SNVBAGLBSA-N 1 2 249.318 1.042 20 0 BDADLO CN(C)c1nccc(C[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000330790843 386904928 /nfs/dbraw/zinc/90/49/28/386904928.db2.gz CJEPWNJFMKTMCC-SNVBAGLBSA-N 1 2 249.318 1.042 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000335764177 386905181 /nfs/dbraw/zinc/90/51/81/386905181.db2.gz MZXDFFRDJMRPNL-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000335764177 386905183 /nfs/dbraw/zinc/90/51/83/386905183.db2.gz MZXDFFRDJMRPNL-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO CC(F)(F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000367970435 386923423 /nfs/dbraw/zinc/92/34/23/386923423.db2.gz NNTKANBQSQBOJZ-UHFFFAOYSA-N 1 2 243.257 1.771 20 0 BDADLO CC(F)(F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000367970435 386923427 /nfs/dbraw/zinc/92/34/27/386923427.db2.gz NNTKANBQSQBOJZ-UHFFFAOYSA-N 1 2 243.257 1.771 20 0 BDADLO CC(C)CCN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302825020 386939458 /nfs/dbraw/zinc/93/94/58/386939458.db2.gz GQNZITXTXNVSKU-UHFFFAOYSA-N 1 2 248.334 1.428 20 0 BDADLO CSCCCC(=O)Nc1cc[nH+]cc1O ZINC000358348369 386939556 /nfs/dbraw/zinc/93/95/56/386939556.db2.gz FUMJFXSORLWCDW-UHFFFAOYSA-N 1 2 226.301 1.291 20 0 BDADLO c1nc(N2CCCC2)cc(N[C@@H]2CCOC2)[nH+]1 ZINC000302858161 386941448 /nfs/dbraw/zinc/94/14/48/386941448.db2.gz SWTGCZJOFWUYHU-SNVBAGLBSA-N 1 2 234.303 1.278 20 0 BDADLO c1nc(N[C@@H]2CCOC2)cc(N2CCCC2)[nH+]1 ZINC000302858161 386941452 /nfs/dbraw/zinc/94/14/52/386941452.db2.gz SWTGCZJOFWUYHU-SNVBAGLBSA-N 1 2 234.303 1.278 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000332041322 386946190 /nfs/dbraw/zinc/94/61/90/386946190.db2.gz XWIVSNNFXDQTDB-UHFFFAOYSA-N 1 2 234.299 1.006 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000331081980 386956475 /nfs/dbraw/zinc/95/64/75/386956475.db2.gz YCMCDQUIIFSDKJ-PSASIEDQSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000331081980 386956480 /nfs/dbraw/zinc/95/64/80/386956480.db2.gz YCMCDQUIIFSDKJ-PSASIEDQSA-N 1 2 225.292 1.087 20 0 BDADLO c1ccc2[nH+]c(N3CCO[C@@H]4C[C@@H]43)[nH]c2c1 ZINC000368304873 386958575 /nfs/dbraw/zinc/95/85/75/386958575.db2.gz QVZJTTRNOYXYTL-WDEREUQCSA-N 1 2 215.256 1.540 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352955187 386972908 /nfs/dbraw/zinc/97/29/08/386972908.db2.gz YPNUZBOHRZTILO-LLVKDONJSA-N 1 2 248.334 1.334 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352955187 386972913 /nfs/dbraw/zinc/97/29/13/386972913.db2.gz YPNUZBOHRZTILO-LLVKDONJSA-N 1 2 248.334 1.334 20 0 BDADLO Cn1cc(C[NH2+]C2(c3cccc(F)c3)CC2)nn1 ZINC000341856653 386973391 /nfs/dbraw/zinc/97/33/91/386973391.db2.gz YFZFMXLOSOYZPE-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO COC[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332389505 386974272 /nfs/dbraw/zinc/97/42/72/386974272.db2.gz HPZBSQLSBYAXPU-NXEZZACHSA-N 1 2 237.303 1.356 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000304323122 386976690 /nfs/dbraw/zinc/97/66/90/386976690.db2.gz RGGBQPQBWCNTHU-UWVGGRQHSA-N 1 2 241.335 1.957 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000304323122 386976694 /nfs/dbraw/zinc/97/66/94/386976694.db2.gz RGGBQPQBWCNTHU-UWVGGRQHSA-N 1 2 241.335 1.957 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334903131 386976907 /nfs/dbraw/zinc/97/69/07/386976907.db2.gz UFRQGFPTXFJNKP-TXEJJXNPSA-N 1 2 221.304 1.266 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334903131 386976911 /nfs/dbraw/zinc/97/69/11/386976911.db2.gz UFRQGFPTXFJNKP-TXEJJXNPSA-N 1 2 221.304 1.266 20 0 BDADLO Cc1nc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)no1 ZINC000331162624 386980172 /nfs/dbraw/zinc/98/01/72/386980172.db2.gz FTCMHIFAPMHROE-KOLCDFICSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)no1 ZINC000331162624 386980174 /nfs/dbraw/zinc/98/01/74/386980174.db2.gz FTCMHIFAPMHROE-KOLCDFICSA-N 1 2 239.319 1.361 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000368514072 386982593 /nfs/dbraw/zinc/98/25/93/386982593.db2.gz KNAVHYULWUIJHP-BOCAPUTCSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000368514072 386982602 /nfs/dbraw/zinc/98/26/02/386982602.db2.gz KNAVHYULWUIJHP-BOCAPUTCSA-N 1 2 231.723 1.619 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H](CO)C(C)(C)C)s1 ZINC000358612344 386988014 /nfs/dbraw/zinc/98/80/14/386988014.db2.gz PDPMUUXKEOGAQY-SECBINFHSA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H](CO)C(C)(C)C)s1 ZINC000358612344 386988020 /nfs/dbraw/zinc/98/80/20/386988020.db2.gz PDPMUUXKEOGAQY-SECBINFHSA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)s1 ZINC000358748544 387008400 /nfs/dbraw/zinc/00/84/00/387008400.db2.gz WIIMJBSEKOCOMI-CBAPKCEASA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)s1 ZINC000358748544 387008405 /nfs/dbraw/zinc/00/84/05/387008405.db2.gz WIIMJBSEKOCOMI-CBAPKCEASA-N 1 2 227.333 1.049 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331210358 386990236 /nfs/dbraw/zinc/99/02/36/386990236.db2.gz XOUBFMYAZWEHET-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331210358 386990242 /nfs/dbraw/zinc/99/02/42/386990242.db2.gz XOUBFMYAZWEHET-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO CC1(C)C[N@H+](CCc2cnn[nH]2)CCS1 ZINC000647966471 387008543 /nfs/dbraw/zinc/00/85/43/387008543.db2.gz UQIYMWQWLCAANK-UHFFFAOYSA-N 1 2 226.349 1.175 20 0 BDADLO CC1(C)C[N@@H+](CCc2cnn[nH]2)CCS1 ZINC000647966471 387008548 /nfs/dbraw/zinc/00/85/48/387008548.db2.gz UQIYMWQWLCAANK-UHFFFAOYSA-N 1 2 226.349 1.175 20 0 BDADLO COCc1nc(C[N@@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000332673094 386999611 /nfs/dbraw/zinc/99/96/11/386999611.db2.gz RFHNEOWOGQRMLZ-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000332673094 386999613 /nfs/dbraw/zinc/99/96/13/386999613.db2.gz RFHNEOWOGQRMLZ-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO Cc1nc(NCCC2CCCC2)nc(N)[nH+]1 ZINC000304513460 387001211 /nfs/dbraw/zinc/00/12/11/387001211.db2.gz RKOOBZWVXKCNJB-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO Cc1nc(N)nc(NCCC2CCCC2)[nH+]1 ZINC000304513460 387001218 /nfs/dbraw/zinc/00/12/18/387001218.db2.gz RKOOBZWVXKCNJB-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674311 387001763 /nfs/dbraw/zinc/00/17/63/387001763.db2.gz ISWGQDRSGFYFGJ-BDAKNGLRSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674311 387001766 /nfs/dbraw/zinc/00/17/66/387001766.db2.gz ISWGQDRSGFYFGJ-BDAKNGLRSA-N 1 2 238.335 1.057 20 0 BDADLO Cc1nc(CNCc2[nH]cc[nH+]2)cs1 ZINC000049715672 387005371 /nfs/dbraw/zinc/00/53/71/387005371.db2.gz JQHAKFMBZNXSAB-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@@H](C)O)n1C1CC1 ZINC000304311041 387030918 /nfs/dbraw/zinc/03/09/18/387030918.db2.gz LYDYZYGDCHXTCL-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@@H](C)O)n1C1CC1 ZINC000304311041 387030922 /nfs/dbraw/zinc/03/09/22/387030922.db2.gz LYDYZYGDCHXTCL-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO COC(=O)C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000304417432 387037412 /nfs/dbraw/zinc/03/74/12/387037412.db2.gz DOVLJHLEYKHUEX-ZWNOBZJWSA-N 1 2 243.347 1.326 20 0 BDADLO CC[NH+]1CCN(C[C@H](OC)C2CC2)CC1 ZINC000425388955 387038838 /nfs/dbraw/zinc/03/88/38/387038838.db2.gz XWKZFQJKHJIDAZ-LBPRGKRZSA-N 1 2 212.337 1.049 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCCO2)c[nH+]1 ZINC000333584399 387045847 /nfs/dbraw/zinc/04/58/47/387045847.db2.gz AMHNWDYVWUJMDY-GFCCVEGCSA-N 1 2 234.299 1.494 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)no1 ZINC000369466961 387047789 /nfs/dbraw/zinc/04/77/89/387047789.db2.gz KTNSUQWMKDMXRU-QWRGUYRKSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)no1 ZINC000369466961 387047791 /nfs/dbraw/zinc/04/77/91/387047791.db2.gz KTNSUQWMKDMXRU-QWRGUYRKSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)no1 ZINC000369466956 387048958 /nfs/dbraw/zinc/04/89/58/387048958.db2.gz KTNSUQWMKDMXRU-MNOVXSKESA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)no1 ZINC000369466956 387048963 /nfs/dbraw/zinc/04/89/63/387048963.db2.gz KTNSUQWMKDMXRU-MNOVXSKESA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nnc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)nc1C ZINC000333730164 387052592 /nfs/dbraw/zinc/05/25/92/387052592.db2.gz TWLSIMMOOIEIIM-GMSGAONNSA-N 1 2 244.302 1.803 20 0 BDADLO CC[C@H]([NH2+]Cc1ncnn1CC)c1cnn(C)c1 ZINC000359077795 387053265 /nfs/dbraw/zinc/05/32/65/387053265.db2.gz ZPQLJJBLFGAQLT-NSHDSACASA-N 1 2 248.334 1.272 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2c2ncccn2)[nH]1 ZINC000359099343 387055627 /nfs/dbraw/zinc/05/56/27/387055627.db2.gz VMOSWKZEZQCQNL-SECBINFHSA-N 1 2 215.260 1.541 20 0 BDADLO Cc1nc(N2CCC[C@@H](C)CC2)nc(N(C)C)[nH+]1 ZINC000359124339 387057925 /nfs/dbraw/zinc/05/79/25/387057925.db2.gz KSHLXKVSZFOIMF-SNVBAGLBSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H](C)CC2)[nH+]1 ZINC000359124339 387057929 /nfs/dbraw/zinc/05/79/29/387057929.db2.gz KSHLXKVSZFOIMF-SNVBAGLBSA-N 1 2 249.362 1.872 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nnnn1C ZINC000359138570 387059151 /nfs/dbraw/zinc/05/91/51/387059151.db2.gz LEUWJEGYNDMLOD-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nnnn1C ZINC000359138570 387059152 /nfs/dbraw/zinc/05/91/52/387059152.db2.gz LEUWJEGYNDMLOD-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO CC(C)c1nc(NCCNC(=O)C2CC2)cc[nH+]1 ZINC000110114299 387060014 /nfs/dbraw/zinc/06/00/14/387060014.db2.gz KICRKSZYVJATPO-UHFFFAOYSA-N 1 2 248.330 1.538 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H]2CC=CCC2)[nH+]1 ZINC000359179560 387064620 /nfs/dbraw/zinc/06/46/20/387064620.db2.gz VVCIZZCNONDNDS-NSHDSACASA-N 1 2 247.346 1.436 20 0 BDADLO Cc1nc(NC[C@H]2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000359179560 387064622 /nfs/dbraw/zinc/06/46/22/387064622.db2.gz VVCIZZCNONDNDS-NSHDSACASA-N 1 2 247.346 1.436 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494326 387065163 /nfs/dbraw/zinc/06/51/63/387065163.db2.gz UALBUMYTZRTJCW-ZJUUUORDSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@@H](COC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494503 387065418 /nfs/dbraw/zinc/06/54/18/387065418.db2.gz URWDGNSIRMXMJL-UWVGGRQHSA-N 1 2 231.336 1.731 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](Cc2cnccn2)CCO1 ZINC000519101895 387011243 /nfs/dbraw/zinc/01/12/43/387011243.db2.gz OAFDGYHNQQFYAA-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](Cc2cnccn2)CCO1 ZINC000519101895 387011247 /nfs/dbraw/zinc/01/12/47/387011247.db2.gz OAFDGYHNQQFYAA-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO CS[C@H]1CC[C@@H]1[NH2+][C@@H](C)C(=O)OC(C)C ZINC000425372120 387011363 /nfs/dbraw/zinc/01/13/63/387011363.db2.gz RUVSVQJUCGXCIW-GUBZILKMSA-N 1 2 231.361 1.810 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000334942529 387019999 /nfs/dbraw/zinc/01/99/99/387019999.db2.gz PUFUXRVFRSTISB-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000334942529 387020001 /nfs/dbraw/zinc/02/00/01/387020001.db2.gz PUFUXRVFRSTISB-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)n(C)n1 ZINC000334942970 387020830 /nfs/dbraw/zinc/02/08/30/387020830.db2.gz FMASGKQZTXFRPR-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)n(C)n1 ZINC000334942970 387020834 /nfs/dbraw/zinc/02/08/34/387020834.db2.gz FMASGKQZTXFRPR-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000368968182 387021826 /nfs/dbraw/zinc/02/18/26/387021826.db2.gz HCCQSDFVMROMMK-NXEZZACHSA-N 1 2 245.282 1.433 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)[C@@H](C)O1 ZINC000333255727 387023723 /nfs/dbraw/zinc/02/37/23/387023723.db2.gz FDVHUJNZKQPUAA-MRTMQBJTSA-N 1 2 237.303 1.603 20 0 BDADLO Cc1cc(C[NH+]2CC(CC(F)F)C2)nn1C ZINC000425365497 387024746 /nfs/dbraw/zinc/02/47/46/387024746.db2.gz LAFAMZQUDWLLPS-UHFFFAOYSA-N 1 2 229.274 1.816 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](OC)C1CC1 ZINC000425390368 387027944 /nfs/dbraw/zinc/02/79/44/387027944.db2.gz BCLXCYCHCGMGAU-SNVBAGLBSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC1 ZINC000117746206 387028721 /nfs/dbraw/zinc/02/87/21/387028721.db2.gz WQEVOEJHUPQVJZ-UHFFFAOYSA-N 1 2 227.267 1.718 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc[nH]2)[nH]1 ZINC000359239167 387072915 /nfs/dbraw/zinc/07/29/15/387072915.db2.gz REUVLEQGQNFTJE-UHFFFAOYSA-N 1 2 247.298 1.761 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc[nH]2)[nH]1 ZINC000359239167 387072922 /nfs/dbraw/zinc/07/29/22/387072922.db2.gz REUVLEQGQNFTJE-UHFFFAOYSA-N 1 2 247.298 1.761 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C[C@H]2CC=CCC2)C1 ZINC000418071037 387083163 /nfs/dbraw/zinc/08/31/63/387083163.db2.gz IBEUJKLRWHSPRF-NSHDSACASA-N 1 2 243.372 1.462 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000336256309 387087386 /nfs/dbraw/zinc/08/73/86/387087386.db2.gz XRTYGHXSAFGMGD-SNVBAGLBSA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000336256309 387087392 /nfs/dbraw/zinc/08/73/92/387087392.db2.gz XRTYGHXSAFGMGD-SNVBAGLBSA-N 1 2 208.309 1.673 20 0 BDADLO CCc1nnc(C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000228446372 387092769 /nfs/dbraw/zinc/09/27/69/387092769.db2.gz LRQNHYHMUUGKMB-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1nnc(C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000228446372 387092774 /nfs/dbraw/zinc/09/27/74/387092774.db2.gz LRQNHYHMUUGKMB-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CC[C@](C)(OC)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000359368451 387093313 /nfs/dbraw/zinc/09/33/13/387093313.db2.gz GFYWWDOVDKFQJN-ZDUSSCGKSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000186443787 387098526 /nfs/dbraw/zinc/09/85/26/387098526.db2.gz MCUSDEQCEVZMCB-NSHDSACASA-N 1 2 220.316 1.919 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000186443787 387098529 /nfs/dbraw/zinc/09/85/29/387098529.db2.gz MCUSDEQCEVZMCB-NSHDSACASA-N 1 2 220.316 1.919 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000336273175 387106289 /nfs/dbraw/zinc/10/62/89/387106289.db2.gz XVPAQANOCBTRHU-CYBMUJFWSA-N 1 2 218.300 1.692 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000336273175 387106290 /nfs/dbraw/zinc/10/62/90/387106290.db2.gz XVPAQANOCBTRHU-CYBMUJFWSA-N 1 2 218.300 1.692 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C)c(C)n1 ZINC000186571764 387109273 /nfs/dbraw/zinc/10/92/73/387109273.db2.gz AEWZRYCXAYASIH-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C)c(C)n1 ZINC000186571764 387109276 /nfs/dbraw/zinc/10/92/76/387109276.db2.gz AEWZRYCXAYASIH-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186597728 387113304 /nfs/dbraw/zinc/11/33/04/387113304.db2.gz MGHBFVYAYDIXSW-CQSZACIVSA-N 1 2 247.294 1.291 20 0 BDADLO COC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186597728 387113310 /nfs/dbraw/zinc/11/33/10/387113310.db2.gz MGHBFVYAYDIXSW-CQSZACIVSA-N 1 2 247.294 1.291 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000370446997 387117420 /nfs/dbraw/zinc/11/74/20/387117420.db2.gz JHHCKIAFOXUBCE-JQWIXIFHSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000370446997 387117424 /nfs/dbraw/zinc/11/74/24/387117424.db2.gz JHHCKIAFOXUBCE-JQWIXIFHSA-N 1 2 234.299 1.638 20 0 BDADLO C[C@@H](C[NH3+])N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000335029041 387122482 /nfs/dbraw/zinc/12/24/82/387122482.db2.gz LBGCBSRYKDNPSX-LURJTMIESA-N 1 2 244.241 1.090 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000359604114 387132238 /nfs/dbraw/zinc/13/22/38/387132238.db2.gz WGXKQIVYEOJZRS-GXSJLCMTSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000359604114 387132240 /nfs/dbraw/zinc/13/22/40/387132240.db2.gz WGXKQIVYEOJZRS-GXSJLCMTSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1occc1C ZINC000353145953 387145065 /nfs/dbraw/zinc/14/50/65/387145065.db2.gz MROQQFFYKMGICY-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1occc1C ZINC000353145953 387145068 /nfs/dbraw/zinc/14/50/68/387145068.db2.gz MROQQFFYKMGICY-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO CCCc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000186920853 387145655 /nfs/dbraw/zinc/14/56/55/387145655.db2.gz UWIUJGXCILJROI-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000186920853 387145658 /nfs/dbraw/zinc/14/56/58/387145658.db2.gz UWIUJGXCILJROI-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO O=C1CCCN1CC[N@H+]1CCC[C@H]1C(F)F ZINC000353175031 387150652 /nfs/dbraw/zinc/15/06/52/387150652.db2.gz RFZLQPZVDSDJMI-VIFPVBQESA-N 1 2 232.274 1.338 20 0 BDADLO O=C1CCCN1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353175031 387150658 /nfs/dbraw/zinc/15/06/58/387150658.db2.gz RFZLQPZVDSDJMI-VIFPVBQESA-N 1 2 232.274 1.338 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1C ZINC000186958014 387156885 /nfs/dbraw/zinc/15/68/85/387156885.db2.gz AAGUMIXIODSNKG-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)nc1C ZINC000186958014 387156887 /nfs/dbraw/zinc/15/68/87/387156887.db2.gz AAGUMIXIODSNKG-ZDUSSCGKSA-N 1 2 248.326 1.836 20 0 BDADLO CO[C@H]1CCC[C@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336331432 387159506 /nfs/dbraw/zinc/15/95/06/387159506.db2.gz XBNBMCVRNLTMAP-AAEUAGOBSA-N 1 2 248.326 1.956 20 0 BDADLO Cc1nnc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc1C ZINC000359807646 387167252 /nfs/dbraw/zinc/16/72/52/387167252.db2.gz UWDFARYTSVKXJR-JTQLQIEISA-N 1 2 244.302 1.553 20 0 BDADLO CCO[C@@H]1COCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000353273798 387169189 /nfs/dbraw/zinc/16/91/89/387169189.db2.gz DYXITJABCQXXHH-WDEREUQCSA-N 1 2 237.303 1.391 20 0 BDADLO CNc1cccnc1CNc1cc[nH+]c(C)n1 ZINC000359837041 387174098 /nfs/dbraw/zinc/17/40/98/387174098.db2.gz ZKUHSCVVCWRJTQ-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO C[C@@H]1[N@H+](CC(=O)NC(C)(C)C)CCOC1(C)C ZINC000336346753 387176606 /nfs/dbraw/zinc/17/66/06/387176606.db2.gz XUVBGYMLKBUYSU-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H]1[N@@H+](CC(=O)NC(C)(C)C)CCOC1(C)C ZINC000336346753 387176610 /nfs/dbraw/zinc/17/66/10/387176610.db2.gz XUVBGYMLKBUYSU-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCNC(=O)[C@@H]1C ZINC000571834792 387178942 /nfs/dbraw/zinc/17/89/42/387178942.db2.gz DGAALSRUFRXZLI-UWVGGRQHSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+]1CCNC(=O)[C@@H]1C ZINC000571834792 387178948 /nfs/dbraw/zinc/17/89/48/387178948.db2.gz DGAALSRUFRXZLI-UWVGGRQHSA-N 1 2 238.356 1.499 20 0 BDADLO COC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352421736 387184916 /nfs/dbraw/zinc/18/49/16/387184916.db2.gz DUFAZEYUZHLOTA-CMPLNLGQSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352421736 387184921 /nfs/dbraw/zinc/18/49/21/387184921.db2.gz DUFAZEYUZHLOTA-CMPLNLGQSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352421737 387185394 /nfs/dbraw/zinc/18/53/94/387185394.db2.gz DUFAZEYUZHLOTA-JQWIXIFHSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352421737 387185396 /nfs/dbraw/zinc/18/53/96/387185396.db2.gz DUFAZEYUZHLOTA-JQWIXIFHSA-N 1 2 239.315 1.193 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000359917614 387190642 /nfs/dbraw/zinc/19/06/42/387190642.db2.gz NVIZEWSLGXTOAN-KOLCDFICSA-N 1 2 236.315 1.669 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)n1 ZINC000336303980 387133481 /nfs/dbraw/zinc/13/34/81/387133481.db2.gz FWAANUCQNBJAQL-JTQLQIEISA-N 1 2 233.315 1.019 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(C)n1 ZINC000336303980 387133484 /nfs/dbraw/zinc/13/34/84/387133484.db2.gz FWAANUCQNBJAQL-JTQLQIEISA-N 1 2 233.315 1.019 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@]23CCOC3)s1 ZINC000370721694 387135951 /nfs/dbraw/zinc/13/59/51/387135951.db2.gz ALLFIYZQESSJQF-NSHDSACASA-N 1 2 239.344 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@]23CCOC3)s1 ZINC000370721694 387135955 /nfs/dbraw/zinc/13/59/55/387135955.db2.gz ALLFIYZQESSJQF-NSHDSACASA-N 1 2 239.344 1.601 20 0 BDADLO CC[N@H+](CCOC(C)C)Cc1cn(C)nn1 ZINC000359635186 387138755 /nfs/dbraw/zinc/13/87/55/387138755.db2.gz MKCFCPZQUMKVSU-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC[N@@H+](CCOC(C)C)Cc1cn(C)nn1 ZINC000359635186 387138760 /nfs/dbraw/zinc/13/87/60/387138760.db2.gz MKCFCPZQUMKVSU-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000336312728 387139448 /nfs/dbraw/zinc/13/94/48/387139448.db2.gz BKHDPZCCAUEWPW-ONGXEEELSA-N 1 2 228.267 1.450 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000336312728 387139452 /nfs/dbraw/zinc/13/94/52/387139452.db2.gz BKHDPZCCAUEWPW-ONGXEEELSA-N 1 2 228.267 1.450 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000229883418 387202899 /nfs/dbraw/zinc/20/28/99/387202899.db2.gz RVIFSCWYMOMHPU-VIFPVBQESA-N 1 2 219.292 1.477 20 0 BDADLO CCC[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)OCC ZINC000300423383 387211039 /nfs/dbraw/zinc/21/10/39/387211039.db2.gz QVKBESXEDCTJPO-GMXVVIOVSA-N 1 2 243.347 1.875 20 0 BDADLO COc1cc(C)[nH+]c(CN(C)C2CC(O)C2)c1 ZINC000353480299 387212137 /nfs/dbraw/zinc/21/21/37/387212137.db2.gz IECUSOZIHWAYKF-UHFFFAOYSA-N 1 2 236.315 1.354 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371444006 387214879 /nfs/dbraw/zinc/21/48/79/387214879.db2.gz VEOOQEUORXVITN-BBBLOLIVSA-N 1 2 219.288 1.729 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360263003 387252965 /nfs/dbraw/zinc/25/29/65/387252965.db2.gz WKKLXOWEFPQQHB-PSASIEDQSA-N 1 2 207.277 1.462 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360263003 387252971 /nfs/dbraw/zinc/25/29/71/387252971.db2.gz WKKLXOWEFPQQHB-PSASIEDQSA-N 1 2 207.277 1.462 20 0 BDADLO Cc1ccc(Cn2ccncc2=O)c(C)[nH+]1 ZINC000336388816 387218350 /nfs/dbraw/zinc/21/83/50/387218350.db2.gz VFAHSVOLBJGDRP-UHFFFAOYSA-N 1 2 215.256 1.303 20 0 BDADLO Cc1cncc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000336387449 387218397 /nfs/dbraw/zinc/21/83/97/387218397.db2.gz QWRKCEROYZODNU-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccoc1 ZINC000371464363 387220291 /nfs/dbraw/zinc/22/02/91/387220291.db2.gz RFHKJANLRTWSMT-NSHDSACASA-N 1 2 245.282 1.990 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000336394328 387222572 /nfs/dbraw/zinc/22/25/72/387222572.db2.gz JSSMAZVHZFDSRX-ZJUUUORDSA-N 1 2 237.303 1.207 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000336394328 387222577 /nfs/dbraw/zinc/22/25/77/387222577.db2.gz JSSMAZVHZFDSRX-ZJUUUORDSA-N 1 2 237.303 1.207 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCSC1 ZINC000353527267 387224403 /nfs/dbraw/zinc/22/44/03/387224403.db2.gz CCLVZTBTRRUJTJ-ZJUUUORDSA-N 1 2 239.344 1.141 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2c[nH]nc2c1 ZINC000353544686 387226379 /nfs/dbraw/zinc/22/63/79/387226379.db2.gz PPNKHKUZZKNAEB-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2c[nH]nc2c1 ZINC000353544686 387226382 /nfs/dbraw/zinc/22/63/82/387226382.db2.gz PPNKHKUZZKNAEB-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1ccon1 ZINC000371506427 387226762 /nfs/dbraw/zinc/22/67/62/387226762.db2.gz RGKGYBXWHBYVIV-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1C=CCCC1)C1CC1 ZINC000284831355 387232499 /nfs/dbraw/zinc/23/24/99/387232499.db2.gz BIBPHAINWISUNJ-QWRGUYRKSA-N 1 2 209.289 1.636 20 0 BDADLO Cc1ccc(C(C)(C)[NH2+]Cc2n[nH]c(=O)[nH]2)cn1 ZINC000353573459 387233646 /nfs/dbraw/zinc/23/36/46/387233646.db2.gz VMYGNTQLLIUCMU-UHFFFAOYSA-N 1 2 247.302 1.239 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CC1CC1 ZINC000371666174 387238978 /nfs/dbraw/zinc/23/89/78/387238978.db2.gz SBDPOIGYSKAZEL-NSHDSACASA-N 1 2 233.315 1.884 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)n1cccn1 ZINC000424662008 387239288 /nfs/dbraw/zinc/23/92/88/387239288.db2.gz LDAMSXGUYPABPF-LLVKDONJSA-N 1 2 244.298 1.598 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)n1cccn1 ZINC000424662010 387239766 /nfs/dbraw/zinc/23/97/66/387239766.db2.gz LDAMSXGUYPABPF-NSHDSACASA-N 1 2 244.298 1.598 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[C@H](F)C1 ZINC000424665441 387241906 /nfs/dbraw/zinc/24/19/06/387241906.db2.gz NPGJPKFZEHWOSX-UWVGGRQHSA-N 1 2 239.294 1.597 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000360199384 387244163 /nfs/dbraw/zinc/24/41/63/387244163.db2.gz QANHRMJDSSOSLM-NXEZZACHSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000336364911 387197174 /nfs/dbraw/zinc/19/71/74/387197174.db2.gz UNKABMQSACMXGV-ZIAGYGMSSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000336364911 387197176 /nfs/dbraw/zinc/19/71/76/387197176.db2.gz UNKABMQSACMXGV-ZIAGYGMSSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1CC1)C2 ZINC000372550492 387311036 /nfs/dbraw/zinc/31/10/36/387311036.db2.gz NASRDFBIZCOZHB-SNVBAGLBSA-N 1 2 219.288 1.033 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)C1CC(O)C1 ZINC000336424993 387254344 /nfs/dbraw/zinc/25/43/44/387254344.db2.gz RUBAYRPSKDFBNC-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)C1CC(O)C1 ZINC000336424993 387254349 /nfs/dbraw/zinc/25/43/49/387254349.db2.gz RUBAYRPSKDFBNC-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000353689525 387257866 /nfs/dbraw/zinc/25/78/66/387257866.db2.gz QBDUJIUHDBGULZ-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000572175414 387257895 /nfs/dbraw/zinc/25/78/95/387257895.db2.gz JGUIDCHKGNLMIA-GFCCVEGCSA-N 1 2 244.298 1.847 20 0 BDADLO Oc1cccnc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000572175414 387257898 /nfs/dbraw/zinc/25/78/98/387257898.db2.gz JGUIDCHKGNLMIA-GFCCVEGCSA-N 1 2 244.298 1.847 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@@H]2C2CC2)nc[nH+]1 ZINC000230307783 387258873 /nfs/dbraw/zinc/25/88/73/387258873.db2.gz GNOBYZLBGDVIDA-ZYHUDNBSSA-N 1 2 219.288 1.764 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccc(C)cn2)CCO1 ZINC000353715311 387263899 /nfs/dbraw/zinc/26/38/99/387263899.db2.gz RTCIGUSSXQBKRA-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccc(C)cn2)CCO1 ZINC000353715311 387263903 /nfs/dbraw/zinc/26/39/03/387263903.db2.gz RTCIGUSSXQBKRA-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000336439745 387266149 /nfs/dbraw/zinc/26/61/49/387266149.db2.gz ORJHYVWUTOPPIZ-NXEZZACHSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000336439745 387266154 /nfs/dbraw/zinc/26/61/54/387266154.db2.gz ORJHYVWUTOPPIZ-NXEZZACHSA-N 1 2 208.309 1.699 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[C@H]1C ZINC000352507288 387266953 /nfs/dbraw/zinc/26/69/53/387266953.db2.gz ORVTZXRPNONEOW-GMTAPVOTSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[C@H]1C ZINC000352507290 387267479 /nfs/dbraw/zinc/26/74/79/387267479.db2.gz ORVTZXRPNONEOW-MXWKQRLJSA-N 1 2 221.304 1.434 20 0 BDADLO CO[C@H](C)C[N@H+](C)CC(=O)c1cccn1C ZINC000285453848 387269191 /nfs/dbraw/zinc/26/91/91/387269191.db2.gz AEKYZACTICLKQU-SNVBAGLBSA-N 1 2 224.304 1.175 20 0 BDADLO CO[C@H](C)C[N@@H+](C)CC(=O)c1cccn1C ZINC000285453848 387269196 /nfs/dbraw/zinc/26/91/96/387269196.db2.gz AEKYZACTICLKQU-SNVBAGLBSA-N 1 2 224.304 1.175 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1cccn1C ZINC000353806504 387277805 /nfs/dbraw/zinc/27/78/05/387277805.db2.gz PXAAPLHKUHJENV-OHUAYANFSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1cccn1C ZINC000353806504 387277810 /nfs/dbraw/zinc/27/78/10/387277810.db2.gz PXAAPLHKUHJENV-OHUAYANFSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1OCC[C@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000372359544 387296012 /nfs/dbraw/zinc/29/60/12/387296012.db2.gz VNSYAVDPXARGNL-WDEREUQCSA-N 1 2 244.298 1.279 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)on1 ZINC000336532731 387354696 /nfs/dbraw/zinc/35/46/96/387354696.db2.gz VXNXBDCCEFMVGC-SECBINFHSA-N 1 2 246.270 1.683 20 0 BDADLO Cc1cc(NCc2ccn3cc[nH+]c3c2)ncn1 ZINC000354379533 387368177 /nfs/dbraw/zinc/36/81/77/387368177.db2.gz FCSWETXUPMJLCI-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000360939260 387371454 /nfs/dbraw/zinc/37/14/54/387371454.db2.gz BXYDVUJVUPKHSO-VIFPVBQESA-N 1 2 249.343 1.609 20 0 BDADLO Cn1nnnc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000360939260 387371458 /nfs/dbraw/zinc/37/14/58/387371458.db2.gz BXYDVUJVUPKHSO-VIFPVBQESA-N 1 2 249.343 1.609 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCc3cc(F)ccc32)n1 ZINC000287126067 387377020 /nfs/dbraw/zinc/37/70/20/387377020.db2.gz RKIAPNZLTSGTFZ-ZDUSSCGKSA-N 1 2 246.289 1.731 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C(F)F)CC2)n1C ZINC000336554791 387377747 /nfs/dbraw/zinc/37/77/47/387377747.db2.gz POIAJCRDVBTVFP-UHFFFAOYSA-N 1 2 244.289 1.601 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000515419936 387378893 /nfs/dbraw/zinc/37/88/93/387378893.db2.gz VGNXPWCPNIYIAN-UWVGGRQHSA-N 1 2 207.277 1.140 20 0 BDADLO CN(C)c1ccc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000648606627 387382447 /nfs/dbraw/zinc/38/24/47/387382447.db2.gz ITFGKJBTYRARHT-UHFFFAOYSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1ccc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000648606627 387382451 /nfs/dbraw/zinc/38/24/51/387382451.db2.gz ITFGKJBTYRARHT-UHFFFAOYSA-N 1 2 247.342 1.511 20 0 BDADLO COc1ccc[nH+]c1N(C)CC1(O)CCCC1 ZINC000162137368 387322563 /nfs/dbraw/zinc/32/25/63/387322563.db2.gz JSFDBJIBJMHOEO-UHFFFAOYSA-N 1 2 236.315 1.832 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000424758748 387335826 /nfs/dbraw/zinc/33/58/26/387335826.db2.gz VNEHXDCFQOXQKV-UWVGGRQHSA-N 1 2 234.299 1.974 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554295 387346687 /nfs/dbraw/zinc/34/66/87/387346687.db2.gz KJXIYOLCKATUFY-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554295 387346691 /nfs/dbraw/zinc/34/66/91/387346691.db2.gz KJXIYOLCKATUFY-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCCCF ZINC000360814692 387351891 /nfs/dbraw/zinc/35/18/91/387351891.db2.gz CVRLDCVIEJUGKY-UHFFFAOYSA-N 1 2 213.256 1.208 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@H]2CC2CCC2)cn1 ZINC000354739436 387425107 /nfs/dbraw/zinc/42/51/07/387425107.db2.gz YLKZVFDRJYMMGU-CQSZACIVSA-N 1 2 247.342 1.868 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cn1 ZINC000354739436 387425112 /nfs/dbraw/zinc/42/51/12/387425112.db2.gz YLKZVFDRJYMMGU-CQSZACIVSA-N 1 2 247.342 1.868 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668802 387429683 /nfs/dbraw/zinc/42/96/83/387429683.db2.gz VAJUDBRWVPRKGE-QWRGUYRKSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668802 387429687 /nfs/dbraw/zinc/42/96/87/387429687.db2.gz VAJUDBRWVPRKGE-QWRGUYRKSA-N 1 2 238.335 1.033 20 0 BDADLO CC(C)C1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000194450468 387433076 /nfs/dbraw/zinc/43/30/76/387433076.db2.gz YHHPQQAZOAASRM-UHFFFAOYSA-N 1 2 223.324 1.078 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374308727 387439864 /nfs/dbraw/zinc/43/98/64/387439864.db2.gz HJNXQJBJUIIAFW-VIFPVBQESA-N 1 2 249.289 1.184 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374308727 387439868 /nfs/dbraw/zinc/43/98/68/387439868.db2.gz HJNXQJBJUIIAFW-VIFPVBQESA-N 1 2 249.289 1.184 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000271186483 387440226 /nfs/dbraw/zinc/44/02/26/387440226.db2.gz JXCIXORKBNEKMK-VXGBXAGGSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000271186483 387440229 /nfs/dbraw/zinc/44/02/29/387440229.db2.gz JXCIXORKBNEKMK-VXGBXAGGSA-N 1 2 248.326 1.831 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC2(CCO2)CC1 ZINC000374394648 387448925 /nfs/dbraw/zinc/44/89/25/387448925.db2.gz IXMRLCGXUIVJEZ-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC2(C)C)nn1C ZINC000361385924 387452907 /nfs/dbraw/zinc/45/29/07/387452907.db2.gz UETSABGWDDQKBY-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC2(C)C)nn1C ZINC000361385924 387452910 /nfs/dbraw/zinc/45/29/10/387452910.db2.gz UETSABGWDDQKBY-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(F)cc1O ZINC000354959692 387453472 /nfs/dbraw/zinc/45/34/72/387453472.db2.gz GYIPKXIZBQIOIU-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1Cc1cnnn1C ZINC000336613704 387454234 /nfs/dbraw/zinc/45/42/34/387454234.db2.gz SHFHYLWZALXTCZ-JTQLQIEISA-N 1 2 228.299 1.892 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cnnn1C ZINC000336613704 387454237 /nfs/dbraw/zinc/45/42/37/387454237.db2.gz SHFHYLWZALXTCZ-JTQLQIEISA-N 1 2 228.299 1.892 20 0 BDADLO C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548327998 387455599 /nfs/dbraw/zinc/45/55/99/387455599.db2.gz ABMIMKDLESUOQW-WCQYABFASA-N 1 2 249.358 2.000 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cnccc1C ZINC000361412652 387457492 /nfs/dbraw/zinc/45/74/92/387457492.db2.gz LHYZIPAPLUFHPQ-CYBMUJFWSA-N 1 2 248.326 1.773 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cnccc1C ZINC000361412652 387457497 /nfs/dbraw/zinc/45/74/97/387457497.db2.gz LHYZIPAPLUFHPQ-CYBMUJFWSA-N 1 2 248.326 1.773 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032687369 387387784 /nfs/dbraw/zinc/38/77/84/387387784.db2.gz RBFQNJMDACQESZ-MWLCHTKSSA-N 1 2 233.315 1.420 20 0 BDADLO Cc1ccncc1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336563670 387390002 /nfs/dbraw/zinc/39/00/02/387390002.db2.gz QUJGXTJUMZRZLD-QMMMGPOBSA-N 1 2 241.241 1.326 20 0 BDADLO Cc1c([C@H]2CCC[N@@H+]2[C@H]2CCOC2=O)cnn1C ZINC000361067772 387397489 /nfs/dbraw/zinc/39/74/89/387397489.db2.gz FHUQLCAWKQHOOW-NEPJUHHUSA-N 1 2 249.314 1.181 20 0 BDADLO Cc1c([C@H]2CCC[N@H+]2[C@H]2CCOC2=O)cnn1C ZINC000361067772 387397494 /nfs/dbraw/zinc/39/74/94/387397494.db2.gz FHUQLCAWKQHOOW-NEPJUHHUSA-N 1 2 249.314 1.181 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1cnc2cnccn12 ZINC000352653695 387417079 /nfs/dbraw/zinc/41/70/79/387417079.db2.gz ZKFLKDHVQQBZSY-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1cnc2cnccn12 ZINC000352653695 387417083 /nfs/dbraw/zinc/41/70/83/387417083.db2.gz ZKFLKDHVQQBZSY-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352657393 387421997 /nfs/dbraw/zinc/42/19/97/387421997.db2.gz ADZHVRBGOCMVQA-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352657393 387422001 /nfs/dbraw/zinc/42/20/01/387422001.db2.gz ADZHVRBGOCMVQA-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1nccs1 ZINC000361582770 387502938 /nfs/dbraw/zinc/50/29/38/387502938.db2.gz BAUAPGXHMDUCQY-NXEZZACHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1nccs1 ZINC000361582770 387502946 /nfs/dbraw/zinc/50/29/46/387502946.db2.gz BAUAPGXHMDUCQY-NXEZZACHSA-N 1 2 242.344 1.115 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)[C@@H]1CCOC1 ZINC000361587923 387504171 /nfs/dbraw/zinc/50/41/71/387504171.db2.gz LFHQUSOCLHWJSP-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)[C@@H]1CCOC1 ZINC000361587923 387504175 /nfs/dbraw/zinc/50/41/75/387504175.db2.gz LFHQUSOCLHWJSP-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCOC(=O)C[N@H+](CCC1(O)CCC1)C1CC1 ZINC000396859423 387505039 /nfs/dbraw/zinc/50/50/39/387505039.db2.gz GSMJJWJZSJJNLB-UHFFFAOYSA-N 1 2 241.331 1.319 20 0 BDADLO CC[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000421923334 387505088 /nfs/dbraw/zinc/50/50/88/387505088.db2.gz VGCKNMMOKVYKIP-WDEREUQCSA-N 1 2 235.331 1.608 20 0 BDADLO CCOC(=O)C[N@@H+](CCC1(O)CCC1)C1CC1 ZINC000396859423 387505043 /nfs/dbraw/zinc/50/50/43/387505043.db2.gz GSMJJWJZSJJNLB-UHFFFAOYSA-N 1 2 241.331 1.319 20 0 BDADLO O=C(C1=CCCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375062273 387509242 /nfs/dbraw/zinc/50/92/42/387509242.db2.gz AIGOVFXHPLJYEH-JTQLQIEISA-N 1 2 247.298 1.768 20 0 BDADLO C[S@@](=O)Cc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000355502806 387544767 /nfs/dbraw/zinc/54/47/67/387544767.db2.gz SSMVVLVTSIKLEE-QGZVFWFLSA-N 1 2 249.339 1.900 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1[C@H](C)C[C@H]1C ZINC000527166372 387513281 /nfs/dbraw/zinc/51/32/81/387513281.db2.gz VJHMYFCNGIXMAW-GMTAPVOTSA-N 1 2 236.319 1.464 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc[nH]2)C[C@H]1C ZINC000355354775 387523511 /nfs/dbraw/zinc/52/35/11/387523511.db2.gz LYOSXBXVXTZXGF-NXEZZACHSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@H]1C ZINC000355354775 387523513 /nfs/dbraw/zinc/52/35/13/387523513.db2.gz LYOSXBXVXTZXGF-NXEZZACHSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc[nH]2)C[C@@H]1C ZINC000355354778 387523595 /nfs/dbraw/zinc/52/35/95/387523595.db2.gz LYOSXBXVXTZXGF-VHSXEESVSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@@H]1C ZINC000355354778 387523598 /nfs/dbraw/zinc/52/35/98/387523598.db2.gz LYOSXBXVXTZXGF-VHSXEESVSA-N 1 2 237.303 1.041 20 0 BDADLO CC(C)[C@H]([NH2+]C[C@H](C)O)C(=O)OC(C)(C)C ZINC000192797762 387535108 /nfs/dbraw/zinc/53/51/08/387535108.db2.gz AEGDOPPQGXOJDJ-UWVGGRQHSA-N 1 2 231.336 1.323 20 0 BDADLO CN(CC(F)(F)F)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375442771 387540950 /nfs/dbraw/zinc/54/09/50/387540950.db2.gz JWNWIXKAMSQCED-YFKPBYRVSA-N 1 2 246.179 1.004 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1C/C=C\c1ccccc1 ZINC000426144674 387541263 /nfs/dbraw/zinc/54/12/63/387541263.db2.gz GGEBWNGNETYDGE-XURPKSDJSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C/C=C\c1ccccc1 ZINC000426144674 387541268 /nfs/dbraw/zinc/54/12/68/387541268.db2.gz GGEBWNGNETYDGE-XURPKSDJSA-N 1 2 244.338 1.862 20 0 BDADLO CCC[C@]1([NH2+]Cc2noc(CC)n2)CCOC1 ZINC000352830383 387541352 /nfs/dbraw/zinc/54/13/52/387541352.db2.gz JVHIOROJPDNJOJ-LBPRGKRZSA-N 1 2 239.319 1.681 20 0 BDADLO CCc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)o1 ZINC000352725635 387462662 /nfs/dbraw/zinc/46/26/62/387462662.db2.gz QZQUFGMYYMVRFO-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CCC[C@@]1([NH2+]Cc2noc(CC)n2)CCOC1 ZINC000352830380 387541791 /nfs/dbraw/zinc/54/17/91/387541791.db2.gz JVHIOROJPDNJOJ-GFCCVEGCSA-N 1 2 239.319 1.681 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(Cc2cn[nH]c2)CC1(C)C ZINC000648680369 387469324 /nfs/dbraw/zinc/46/93/24/387469324.db2.gz DXVSQYDUQOWDCV-LLVKDONJSA-N 1 2 245.330 1.726 20 0 BDADLO COC[C@H]([NH2+]CC1CCCCCC1)C(=O)OC ZINC000355057784 387472374 /nfs/dbraw/zinc/47/23/74/387472374.db2.gz SEACXZISRKAENM-LBPRGKRZSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1nc(C[N@@H+](CC2CCC2)[C@@H](C)CO)no1 ZINC000361501038 387473438 /nfs/dbraw/zinc/47/34/38/387473438.db2.gz LWXUIXQMNHMUEZ-VIFPVBQESA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](CC2CCC2)[C@@H](C)CO)no1 ZINC000361501038 387473445 /nfs/dbraw/zinc/47/34/45/387473445.db2.gz LWXUIXQMNHMUEZ-VIFPVBQESA-N 1 2 239.319 1.361 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)C1CC1)CC2 ZINC000374694674 387482898 /nfs/dbraw/zinc/48/28/98/387482898.db2.gz PYOIIIKBQRGUQD-JTQLQIEISA-N 1 2 233.315 1.580 20 0 BDADLO Cc1cc(CNC(=O)[C@](C)(O)C2CC2)cc(C)[nH+]1 ZINC000421910121 387485383 /nfs/dbraw/zinc/48/53/83/387485383.db2.gz HOEKKPFGJZAYEK-CQSZACIVSA-N 1 2 248.326 1.476 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CSC[C@@H]1C ZINC000304519336 387490754 /nfs/dbraw/zinc/49/07/54/387490754.db2.gz PDKBLPNCFJUBCV-DCAQKATOSA-N 1 2 245.388 1.915 20 0 BDADLO COCc1nc(C[N@@H+]2CC3CCC2CC3)no1 ZINC000374829270 387492618 /nfs/dbraw/zinc/49/26/18/387492618.db2.gz SRKLKOGNNIMNER-UHFFFAOYSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CC3CCC2CC3)no1 ZINC000374829270 387492623 /nfs/dbraw/zinc/49/26/23/387492623.db2.gz SRKLKOGNNIMNER-UHFFFAOYSA-N 1 2 237.303 1.590 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374825144 387492632 /nfs/dbraw/zinc/49/26/32/387492632.db2.gz XZRSYFVNIJWZRS-MFKMUULPSA-N 1 2 249.310 1.487 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374825144 387492635 /nfs/dbraw/zinc/49/26/35/387492635.db2.gz XZRSYFVNIJWZRS-MFKMUULPSA-N 1 2 249.310 1.487 20 0 BDADLO CSCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000362407958 387608641 /nfs/dbraw/zinc/60/86/41/387608641.db2.gz PEATYZMBFWBZFO-MRVPVSSYSA-N 1 2 239.344 1.136 20 0 BDADLO CSCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000362407958 387608644 /nfs/dbraw/zinc/60/86/44/387608644.db2.gz PEATYZMBFWBZFO-MRVPVSSYSA-N 1 2 239.344 1.136 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000356042157 387610037 /nfs/dbraw/zinc/61/00/37/387610037.db2.gz RZBRVKSMWHEHNA-LBPRGKRZSA-N 1 2 243.314 1.329 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000356042157 387610040 /nfs/dbraw/zinc/61/00/40/387610040.db2.gz RZBRVKSMWHEHNA-LBPRGKRZSA-N 1 2 243.314 1.329 20 0 BDADLO CCCCCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000362424643 387610800 /nfs/dbraw/zinc/61/08/00/387610800.db2.gz KNJUPWCZXCPDOQ-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000362424643 387610805 /nfs/dbraw/zinc/61/08/05/387610805.db2.gz KNJUPWCZXCPDOQ-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cnns1 ZINC000430313049 387611371 /nfs/dbraw/zinc/61/13/71/387611371.db2.gz RRXHGDUBLVTYPR-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cnns1 ZINC000430313049 387611374 /nfs/dbraw/zinc/61/13/74/387611374.db2.gz RRXHGDUBLVTYPR-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO Cn1c2ccccc2[nH+]c1Cn1ccsc1=O ZINC000356065595 387611906 /nfs/dbraw/zinc/61/19/06/387611906.db2.gz XGMFAPZPDYFHCU-UHFFFAOYSA-N 1 2 245.307 1.845 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000362506044 387621064 /nfs/dbraw/zinc/62/10/64/387621064.db2.gz PXZIDKJNUAZUQW-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000362506044 387621070 /nfs/dbraw/zinc/62/10/70/387621070.db2.gz PXZIDKJNUAZUQW-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242536 387623560 /nfs/dbraw/zinc/62/35/60/387623560.db2.gz RBJPGTAQJVLSCK-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242536 387623566 /nfs/dbraw/zinc/62/35/66/387623566.db2.gz RBJPGTAQJVLSCK-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2c[nH]nc2C)o1 ZINC000355652707 387561719 /nfs/dbraw/zinc/56/17/19/387561719.db2.gz PTBVXJBNASAMIG-UHFFFAOYSA-N 1 2 249.314 1.614 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2c[nH]nc2C)o1 ZINC000355652707 387561722 /nfs/dbraw/zinc/56/17/22/387561722.db2.gz PTBVXJBNASAMIG-UHFFFAOYSA-N 1 2 249.314 1.614 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2ccnn2C)o1 ZINC000355651218 387562321 /nfs/dbraw/zinc/56/23/21/387562321.db2.gz IVIGNGLIDNLVPL-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2ccnn2C)o1 ZINC000355651218 387562325 /nfs/dbraw/zinc/56/23/25/387562325.db2.gz IVIGNGLIDNLVPL-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccc(C)cn1)C(=O)OC ZINC000399751041 387568156 /nfs/dbraw/zinc/56/81/56/387568156.db2.gz MYNHHWXDSPHENC-GFCCVEGCSA-N 1 2 236.315 1.474 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362088604 387571210 /nfs/dbraw/zinc/57/12/10/387571210.db2.gz GCYKZPKPIAVBCF-NXEZZACHSA-N 1 2 239.319 1.253 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)no1 ZINC000362088604 387571213 /nfs/dbraw/zinc/57/12/13/387571213.db2.gz GCYKZPKPIAVBCF-NXEZZACHSA-N 1 2 239.319 1.253 20 0 BDADLO Cc1c(Nc2[nH+]cnc3[nH]ccc32)cnn1C ZINC000362561861 387630269 /nfs/dbraw/zinc/63/02/69/387630269.db2.gz QAZZBKWKNUHFMW-UHFFFAOYSA-N 1 2 228.259 1.743 20 0 BDADLO CCCCCN(CCO)c1cc(C)[nH+]cn1 ZINC000356226586 387630900 /nfs/dbraw/zinc/63/09/00/387630900.db2.gz RAWXRLVVNTYGGY-UHFFFAOYSA-N 1 2 223.320 1.774 20 0 BDADLO Cc1c[nH+]c(CNc2ccc(CO)cn2)n1C ZINC000356299239 387640780 /nfs/dbraw/zinc/64/07/80/387640780.db2.gz HHEDYBHWZIGWBK-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000376495502 387640855 /nfs/dbraw/zinc/64/08/55/387640855.db2.gz ORVOIUDFOKTKEZ-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000376495502 387640859 /nfs/dbraw/zinc/64/08/59/387640859.db2.gz ORVOIUDFOKTKEZ-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO CC[C@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000430906249 387659622 /nfs/dbraw/zinc/65/96/22/387659622.db2.gz JILRHWHFDZNRPS-VIFPVBQESA-N 1 2 237.303 1.688 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000356545173 387673226 /nfs/dbraw/zinc/67/32/26/387673226.db2.gz GDXVLOKTGOIJDI-RKDXNWHRSA-N 1 2 222.288 1.830 20 0 BDADLO C[C@H](CO)C[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431038800 387673363 /nfs/dbraw/zinc/67/33/63/387673363.db2.gz PLWRHDIUXOUEDS-QMMMGPOBSA-N 1 2 237.278 1.175 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC000440705990 387674612 /nfs/dbraw/zinc/67/46/12/387674612.db2.gz QVBKYQWMCITYLU-SNVBAGLBSA-N 1 2 240.326 1.965 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC000440705990 387674618 /nfs/dbraw/zinc/67/46/18/387674618.db2.gz QVBKYQWMCITYLU-SNVBAGLBSA-N 1 2 240.326 1.965 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356577156 387677276 /nfs/dbraw/zinc/67/72/76/387677276.db2.gz GBCPKOGGPPBPBR-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356577156 387677282 /nfs/dbraw/zinc/67/72/82/387677282.db2.gz GBCPKOGGPPBPBR-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCOCCN1CC[N@H+](C[C@@H](F)CC)C[C@H]1C ZINC000440709907 387679004 /nfs/dbraw/zinc/67/90/04/387679004.db2.gz FKAAOGWWROTJFY-OLZOCXBDSA-N 1 2 246.370 1.777 20 0 BDADLO CCOCCN1CC[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC000440709907 387679008 /nfs/dbraw/zinc/67/90/08/387679008.db2.gz FKAAOGWWROTJFY-OLZOCXBDSA-N 1 2 246.370 1.777 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncnn1CCF ZINC000440714841 387680862 /nfs/dbraw/zinc/68/08/62/387680862.db2.gz RFTHYISCDNBVPB-UHFFFAOYSA-N 1 2 244.314 1.106 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncnn1CCF ZINC000440714841 387680866 /nfs/dbraw/zinc/68/08/66/387680866.db2.gz RFTHYISCDNBVPB-UHFFFAOYSA-N 1 2 244.314 1.106 20 0 BDADLO CCCn1cc(C(=O)Nc2ccc(N)[nH+]c2)cn1 ZINC000422781924 387681172 /nfs/dbraw/zinc/68/11/72/387681172.db2.gz FQEPIGYZRJWPRW-UHFFFAOYSA-N 1 2 245.286 1.353 20 0 BDADLO CC[C@H](C)OCC(=O)Nc1ccc(N)[nH+]c1 ZINC000422787949 387687082 /nfs/dbraw/zinc/68/70/82/387687082.db2.gz MOBFPMGRIMUAJB-QMMMGPOBSA-N 1 2 223.276 1.248 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000422787043 387687299 /nfs/dbraw/zinc/68/72/99/387687299.db2.gz LOZNSJWVNYUVDX-RNSXUZJQSA-N 1 2 235.287 1.246 20 0 BDADLO C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CCCOC1 ZINC000422794576 387696658 /nfs/dbraw/zinc/69/66/58/387696658.db2.gz ULNVVFOBTQZWNV-LBPRGKRZSA-N 1 2 235.287 1.249 20 0 BDADLO CC(C)OCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000422794241 387696678 /nfs/dbraw/zinc/69/66/78/387696678.db2.gz TXOOTZDFXQQFMW-UHFFFAOYSA-N 1 2 237.303 1.638 20 0 BDADLO Cc1cn2c([nH+]1)CN([C@H](C)c1noc(C)n1)CC2 ZINC000377883771 387754251 /nfs/dbraw/zinc/75/42/51/387754251.db2.gz LBWDZKNDXQCNQY-SECBINFHSA-N 1 2 247.302 1.460 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1nnc(C)s1 ZINC000452040272 387706806 /nfs/dbraw/zinc/70/68/06/387706806.db2.gz QFCZKJMYAJOJFW-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1nnc(C)s1 ZINC000452040272 387706815 /nfs/dbraw/zinc/70/68/15/387706815.db2.gz QFCZKJMYAJOJFW-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(COc2cc[nH+]cc2)n1C1CC1 ZINC000431496442 387712664 /nfs/dbraw/zinc/71/26/64/387712664.db2.gz SEPMQOITZPKZIZ-UHFFFAOYSA-N 1 2 230.271 1.895 20 0 BDADLO Cc1cn[nH]c1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527805454 387727987 /nfs/dbraw/zinc/72/79/87/387727987.db2.gz AJJQBMZWHFSYTK-CYBMUJFWSA-N 1 2 248.374 1.825 20 0 BDADLO Cc1cn[nH]c1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000527805454 387727994 /nfs/dbraw/zinc/72/79/94/387727994.db2.gz AJJQBMZWHFSYTK-CYBMUJFWSA-N 1 2 248.374 1.825 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000422911524 387771635 /nfs/dbraw/zinc/77/16/35/387771635.db2.gz TYXRDJSPQJRQFB-CPCISQLKSA-N 1 2 242.269 1.879 20 0 BDADLO c1ncn([C@H]2CCC[N@@H+](Cc3cocn3)C2)n1 ZINC000432736614 387812244 /nfs/dbraw/zinc/81/22/44/387812244.db2.gz FMFAIWVMVNBDAX-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO c1ncn([C@H]2CCC[N@H+](Cc3cocn3)C2)n1 ZINC000432736614 387812246 /nfs/dbraw/zinc/81/22/46/387812246.db2.gz FMFAIWVMVNBDAX-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO O=C1OC[C@H]2C[N@H+](Cc3cccc(O)c3)CCN12 ZINC000378347538 387778309 /nfs/dbraw/zinc/77/83/09/387778309.db2.gz VRNGCRTUSJXFHE-LLVKDONJSA-N 1 2 248.282 1.029 20 0 BDADLO O=C1OC[C@H]2C[N@@H+](Cc3cccc(O)c3)CCN12 ZINC000378347538 387778312 /nfs/dbraw/zinc/77/83/12/387778312.db2.gz VRNGCRTUSJXFHE-LLVKDONJSA-N 1 2 248.282 1.029 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC000378369789 387780966 /nfs/dbraw/zinc/78/09/66/387780966.db2.gz JXCAEZCVTQZPHF-GHMZBOCLSA-N 1 2 249.314 1.263 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnnn1CC)c1nccn1C ZINC000527919710 387790510 /nfs/dbraw/zinc/79/05/10/387790510.db2.gz JSIKYHSPTYPWMQ-LLVKDONJSA-N 1 2 248.334 1.272 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOC2CCC2)n1 ZINC000309457597 387791849 /nfs/dbraw/zinc/79/18/49/387791849.db2.gz NYVOMBURBWHNBO-MRVPVSSYSA-N 1 2 225.292 1.598 20 0 BDADLO CC[C@@]1(O)CCN(c2[nH+]cccc2OC)C1 ZINC000527969923 387813259 /nfs/dbraw/zinc/81/32/59/387813259.db2.gz WYQUKEQIDZNBTP-GFCCVEGCSA-N 1 2 222.288 1.441 20 0 BDADLO CC[C@H](COC)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000378021958 387761375 /nfs/dbraw/zinc/76/13/75/387761375.db2.gz HVABXNIDRGSBIS-LLVKDONJSA-N 1 2 246.314 1.526 20 0 BDADLO Cn1cc(C[NH2+][C@H]2CCCc3occc32)nn1 ZINC000054859054 387829353 /nfs/dbraw/zinc/82/93/53/387829353.db2.gz NYWFBCVWNVJICC-NSHDSACASA-N 1 2 232.287 1.575 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nn2)o1 ZINC000054859494 387830187 /nfs/dbraw/zinc/83/01/87/387830187.db2.gz IAOBVNXCLOKHHD-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO C/C=C\C[C@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000432918431 387841882 /nfs/dbraw/zinc/84/18/82/387841882.db2.gz SCNUYYLMBDKXLP-LYJAQFADSA-N 1 2 241.331 1.651 20 0 BDADLO CC[C@@H](NC(=O)c1cnccc1C)c1[nH]cc[nH+]1 ZINC000442809676 387846015 /nfs/dbraw/zinc/84/60/15/387846015.db2.gz LCYOGIVSHVRTPC-LLVKDONJSA-N 1 2 244.298 1.994 20 0 BDADLO CNC(=O)[C@H](C)[NH2+]Cc1c(F)cc(C)cc1F ZINC000424166761 387853461 /nfs/dbraw/zinc/85/34/61/387853461.db2.gz CMVPBHRRQLFADH-QMMMGPOBSA-N 1 2 242.269 1.497 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193671283 387861589 /nfs/dbraw/zinc/86/15/89/387861589.db2.gz KEQNUTMBIWJTNV-GXTWCOJYSA-N 1 2 217.696 1.230 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@@]12CCOC2 ZINC000193671283 387861590 /nfs/dbraw/zinc/86/15/90/387861590.db2.gz KEQNUTMBIWJTNV-GXTWCOJYSA-N 1 2 217.696 1.230 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193675979 387863013 /nfs/dbraw/zinc/86/30/13/387863013.db2.gz HEWNKIHQLHBUMT-CYBMUJFWSA-N 1 2 243.347 1.293 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCOC[C@]12CCOC2 ZINC000193675979 387863021 /nfs/dbraw/zinc/86/30/21/387863021.db2.gz HEWNKIHQLHBUMT-CYBMUJFWSA-N 1 2 243.347 1.293 20 0 BDADLO COc1ccc[nH+]c1N(C)CC1(CO)CC1 ZINC000527977390 387817295 /nfs/dbraw/zinc/81/72/95/387817295.db2.gz IEDBMXZVQYJKGQ-UHFFFAOYSA-N 1 2 222.288 1.299 20 0 BDADLO CCCN(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000422968867 387819712 /nfs/dbraw/zinc/81/97/12/387819712.db2.gz SJBHBSLYEJSZIB-LLVKDONJSA-N 1 2 242.269 1.833 20 0 BDADLO C[C@H]1CC[C@H](c2noc(CCn3cc[nH+]c3)n2)O1 ZINC000528245572 387877471 /nfs/dbraw/zinc/87/74/71/387877471.db2.gz TWBAUPBJSOEYKQ-VHSXEESVSA-N 1 2 248.286 1.749 20 0 BDADLO c1nc(NC2CC2)cc(NCC2COC2)[nH+]1 ZINC000528227473 387882670 /nfs/dbraw/zinc/88/26/70/387882670.db2.gz SVOQENZNASGFBS-UHFFFAOYSA-N 1 2 220.276 1.109 20 0 BDADLO c1nc(NCC2COC2)cc(NC2CC2)[nH+]1 ZINC000528227473 387882673 /nfs/dbraw/zinc/88/26/73/387882673.db2.gz SVOQENZNASGFBS-UHFFFAOYSA-N 1 2 220.276 1.109 20 0 BDADLO CC(=O)CCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000194895834 387900087 /nfs/dbraw/zinc/90/00/87/387900087.db2.gz DTEJPKUDTFFZMR-UHFFFAOYSA-N 1 2 249.314 1.845 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706764 387914010 /nfs/dbraw/zinc/91/40/10/387914010.db2.gz MWRXXTCUEJBOOJ-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706764 387914015 /nfs/dbraw/zinc/91/40/15/387914015.db2.gz MWRXXTCUEJBOOJ-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO Cc1cnc(CNc2[nH+]cnc3c2cnn3C)o1 ZINC000176943770 387915085 /nfs/dbraw/zinc/91/50/85/387915085.db2.gz WRSNZXYKLUUMMD-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(N)=O)c1 ZINC000444733788 387917038 /nfs/dbraw/zinc/91/70/38/387917038.db2.gz KFBMNELWEXFZQP-SECBINFHSA-N 1 2 224.279 1.440 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(N)=O)c1 ZINC000444733788 387917044 /nfs/dbraw/zinc/91/70/44/387917044.db2.gz KFBMNELWEXFZQP-SECBINFHSA-N 1 2 224.279 1.440 20 0 BDADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000444776919 387930678 /nfs/dbraw/zinc/93/06/78/387930678.db2.gz MUULOFOZNRVNMS-UHFFFAOYSA-N 1 2 224.308 1.521 20 0 BDADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000444776919 387930684 /nfs/dbraw/zinc/93/06/84/387930684.db2.gz MUULOFOZNRVNMS-UHFFFAOYSA-N 1 2 224.308 1.521 20 0 BDADLO Cc1nc(N2CCC[C@H]([C@H](C)O)C2)cc[nH+]1 ZINC000533007308 387923046 /nfs/dbraw/zinc/92/30/46/387923046.db2.gz YNMHWWIGSNLRRR-ONGXEEELSA-N 1 2 221.304 1.382 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)CC1(O)CCCC1 ZINC000450609277 387942022 /nfs/dbraw/zinc/94/20/22/387942022.db2.gz DMPDYDYNSUQHBE-SECBINFHSA-N 1 2 241.360 1.836 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)CC1(O)CCCC1 ZINC000450609277 387942025 /nfs/dbraw/zinc/94/20/25/387942025.db2.gz DMPDYDYNSUQHBE-SECBINFHSA-N 1 2 241.360 1.836 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000245397997 387944012 /nfs/dbraw/zinc/94/40/12/387944012.db2.gz RDCHFYFFDCQGSQ-VXGBXAGGSA-N 1 2 249.358 1.779 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000245397997 387944013 /nfs/dbraw/zinc/94/40/13/387944013.db2.gz RDCHFYFFDCQGSQ-VXGBXAGGSA-N 1 2 249.358 1.779 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)[C@H]1SC ZINC000459501491 387951342 /nfs/dbraw/zinc/95/13/42/387951342.db2.gz FDZKRBWLMMBIOO-SGIHWFKDSA-N 1 2 247.360 1.047 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)o1 ZINC000245552276 387959320 /nfs/dbraw/zinc/95/93/20/387959320.db2.gz COEJPWSGXLIRGN-CHWSQXEVSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)o1 ZINC000245552276 387959326 /nfs/dbraw/zinc/95/93/26/387959326.db2.gz COEJPWSGXLIRGN-CHWSQXEVSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245751281 387980247 /nfs/dbraw/zinc/98/02/47/387980247.db2.gz NWVPSMLETHEMGE-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245751281 387980250 /nfs/dbraw/zinc/98/02/50/387980250.db2.gz NWVPSMLETHEMGE-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(N(CC2CCC2)[C@H](C)CO)cc[nH+]1 ZINC000439123735 387980998 /nfs/dbraw/zinc/98/09/98/387980998.db2.gz LJNWSDOEVZWBCE-SNVBAGLBSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nc(N(CC2CCC2)[C@@H](C)CO)cc[nH+]1 ZINC000439123734 387981153 /nfs/dbraw/zinc/98/11/53/387981153.db2.gz LJNWSDOEVZWBCE-JTQLQIEISA-N 1 2 235.331 1.772 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446071868 387994258 /nfs/dbraw/zinc/99/42/58/387994258.db2.gz KQEQLKHYEYZLSG-GARJFASQSA-N 1 2 228.336 1.009 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446071868 387994260 /nfs/dbraw/zinc/99/42/60/387994260.db2.gz KQEQLKHYEYZLSG-GARJFASQSA-N 1 2 228.336 1.009 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446071869 387994934 /nfs/dbraw/zinc/99/49/34/387994934.db2.gz KQEQLKHYEYZLSG-HBNTYKKESA-N 1 2 228.336 1.009 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446071869 387994938 /nfs/dbraw/zinc/99/49/38/387994938.db2.gz KQEQLKHYEYZLSG-HBNTYKKESA-N 1 2 228.336 1.009 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446084821 387997716 /nfs/dbraw/zinc/99/77/16/387997716.db2.gz UTPFJBRYPWQQOM-YFKTTZPYSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446084821 387997719 /nfs/dbraw/zinc/99/77/19/387997719.db2.gz UTPFJBRYPWQQOM-YFKTTZPYSA-N 1 2 242.363 1.399 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000446077395 387998185 /nfs/dbraw/zinc/99/81/85/387998185.db2.gz CBFDMCIJDKNIQM-UHFFFAOYSA-N 1 2 239.344 1.026 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCc2ncsc2C1 ZINC000446077395 387998188 /nfs/dbraw/zinc/99/81/88/387998188.db2.gz CBFDMCIJDKNIQM-UHFFFAOYSA-N 1 2 239.344 1.026 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNc1ncccc1F ZINC000439615464 388011143 /nfs/dbraw/zinc/01/11/43/388011143.db2.gz RXKVTXVYHQMVQX-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNc1ncccc1F ZINC000439615464 388011146 /nfs/dbraw/zinc/01/11/46/388011146.db2.gz RXKVTXVYHQMVQX-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754883 388009406 /nfs/dbraw/zinc/00/94/06/388009406.db2.gz UZXGPDHLLJCWQN-HRDYMLBCSA-N 1 2 221.308 1.552 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754883 388009411 /nfs/dbraw/zinc/00/94/11/388009411.db2.gz UZXGPDHLLJCWQN-HRDYMLBCSA-N 1 2 221.308 1.552 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccoc1 ZINC000439875234 388023952 /nfs/dbraw/zinc/02/39/52/388023952.db2.gz RPYHKVLTGSOJFD-NSHDSACASA-N 1 2 247.298 1.614 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccc(C)cc2)c[nH+]1 ZINC000082268181 388020659 /nfs/dbraw/zinc/02/06/59/388020659.db2.gz FQNCWJYNSKNIKB-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439845357 388021986 /nfs/dbraw/zinc/02/19/86/388021986.db2.gz YJWUQLONBYJCGG-MRVPVSSYSA-N 1 2 243.257 1.169 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000440537782 388052706 /nfs/dbraw/zinc/05/27/06/388052706.db2.gz ZOMDRKQXYMUBIO-QWRGUYRKSA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000440537782 388052711 /nfs/dbraw/zinc/05/27/11/388052711.db2.gz ZOMDRKQXYMUBIO-QWRGUYRKSA-N 1 2 230.327 1.677 20 0 BDADLO Cn1nnc(C[NH+]2CC(C)(C)CC(C)(C)C2)n1 ZINC000440538790 388053744 /nfs/dbraw/zinc/05/37/44/388053744.db2.gz RXHAHQDLQUIHMB-UHFFFAOYSA-N 1 2 237.351 1.468 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000440689998 388066364 /nfs/dbraw/zinc/06/63/64/388066364.db2.gz BVYCXHDUYDJAIL-SECBINFHSA-N 1 2 242.260 1.914 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000084227687 388074714 /nfs/dbraw/zinc/07/47/14/388074714.db2.gz HAZOQKKCZJLLIE-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000084227687 388074717 /nfs/dbraw/zinc/07/47/17/388074717.db2.gz HAZOQKKCZJLLIE-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447846116 388097833 /nfs/dbraw/zinc/09/78/33/388097833.db2.gz XHAXENKIGANOTI-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447846116 388097835 /nfs/dbraw/zinc/09/78/35/388097835.db2.gz XHAXENKIGANOTI-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)C1CC1 ZINC000447849651 388098466 /nfs/dbraw/zinc/09/84/66/388098466.db2.gz IYEGSDFOMSBZQM-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)C1CC1 ZINC000447849651 388098468 /nfs/dbraw/zinc/09/84/68/388098468.db2.gz IYEGSDFOMSBZQM-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927180 388111455 /nfs/dbraw/zinc/11/14/55/388111455.db2.gz NRCVRIWDNYKVHS-DTWKUNHWSA-N 1 2 229.320 1.484 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000440496409 388045564 /nfs/dbraw/zinc/04/55/64/388045564.db2.gz ONWTTYNAWZPMJL-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000440496409 388045567 /nfs/dbraw/zinc/04/55/67/388045567.db2.gz ONWTTYNAWZPMJL-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OC ZINC000449255194 388163326 /nfs/dbraw/zinc/16/33/26/388163326.db2.gz BJJKOYYHSJQSGX-ZRUFSTJUSA-N 1 2 229.320 1.484 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000646254695 388171073 /nfs/dbraw/zinc/17/10/73/388171073.db2.gz QKIMDCWUCCDJGX-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000646254695 388171074 /nfs/dbraw/zinc/17/10/74/388171074.db2.gz QKIMDCWUCCDJGX-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO Cc1ccoc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260896 388171704 /nfs/dbraw/zinc/17/17/04/388171704.db2.gz PGWZFGUCEXTHLP-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1ccoc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260896 388171707 /nfs/dbraw/zinc/17/17/07/388171707.db2.gz PGWZFGUCEXTHLP-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)co1 ZINC000646259261 388172340 /nfs/dbraw/zinc/17/23/40/388172340.db2.gz ROJXCBXBFCXSLC-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)co1 ZINC000646259261 388172342 /nfs/dbraw/zinc/17/23/42/388172342.db2.gz ROJXCBXBFCXSLC-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000456102922 388177578 /nfs/dbraw/zinc/17/75/78/388177578.db2.gz PDVMXLWFPNJNIC-GNXNZQSNSA-N 1 2 247.342 1.955 20 0 BDADLO CC(C)[N@H+](Cc1ccncc1F)C1COC1 ZINC000449350940 388178804 /nfs/dbraw/zinc/17/88/04/388178804.db2.gz MEPWYPRZDRYETA-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)[N@@H+](Cc1ccncc1F)C1COC1 ZINC000449350940 388178806 /nfs/dbraw/zinc/17/88/06/388178806.db2.gz MEPWYPRZDRYETA-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000488447447 388179782 /nfs/dbraw/zinc/17/97/82/388179782.db2.gz WFMITUOKYQLCJW-QMMMGPOBSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1ncnn1CC(F)F ZINC000488447447 388179784 /nfs/dbraw/zinc/17/97/84/388179784.db2.gz WFMITUOKYQLCJW-QMMMGPOBSA-N 1 2 230.262 1.528 20 0 BDADLO CC(C)[N@H+](Cc1ccn(C)n1)C1COC1 ZINC000449351620 388179978 /nfs/dbraw/zinc/17/99/78/388179978.db2.gz QMJDACCELSRQHF-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)[N@@H+](Cc1ccn(C)n1)C1COC1 ZINC000449351620 388179979 /nfs/dbraw/zinc/17/99/79/388179979.db2.gz QMJDACCELSRQHF-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1ccc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000449352703 388180159 /nfs/dbraw/zinc/18/01/59/388180159.db2.gz YAUJGUXSOAEPGX-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000449352703 388180161 /nfs/dbraw/zinc/18/01/61/388180161.db2.gz YAUJGUXSOAEPGX-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCC2(CC2)CC1)[C@H](C)O ZINC000488537819 388185102 /nfs/dbraw/zinc/18/51/02/388185102.db2.gz RCHJPVSCQXECLM-GXSJLCMTSA-N 1 2 241.331 1.221 20 0 BDADLO CCCc1cc(C(=O)NCCc2[nH]cc[nH+]2)no1 ZINC000448950062 388122297 /nfs/dbraw/zinc/12/22/97/388122297.db2.gz LNMXEEFJAXOFFP-UHFFFAOYSA-N 1 2 248.286 1.323 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000448954508 388122722 /nfs/dbraw/zinc/12/27/22/388122722.db2.gz VSBCMQWQFAPZAR-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO CC[C@H](NC(=O)Nc1cc[nH+]c(C)c1)[C@H](C)O ZINC000455043151 388145994 /nfs/dbraw/zinc/14/59/94/388145994.db2.gz PCERWMNDAWAESA-ONGXEEELSA-N 1 2 237.303 1.093 20 0 BDADLO CC[C@H](NC(=O)Nc1cc[nH+]c(C)c1)C(F)F ZINC000455052809 388146867 /nfs/dbraw/zinc/14/68/67/388146867.db2.gz ZMWDLDBCKALRQX-VIFPVBQESA-N 1 2 243.257 1.977 20 0 BDADLO CCC(CC)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449647193 388248437 /nfs/dbraw/zinc/24/84/37/388248437.db2.gz CYPRLCCCJSNMRW-SNVBAGLBSA-N 1 2 248.317 1.784 20 0 BDADLO CCC[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449646620 388248518 /nfs/dbraw/zinc/24/85/18/388248518.db2.gz BTTNSJLHSPXHFD-UWVGGRQHSA-N 1 2 248.317 1.784 20 0 BDADLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449654626 388248806 /nfs/dbraw/zinc/24/88/06/388248806.db2.gz FGEKNBIOZJZIKQ-IUCAKERBSA-N 1 2 246.301 1.394 20 0 BDADLO CC(C)OC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449659039 388249102 /nfs/dbraw/zinc/24/91/02/388249102.db2.gz CPCFNQOQVGKAJU-MNOVXSKESA-N 1 2 231.336 1.730 20 0 BDADLO O=C(CCC1CC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449657240 388249292 /nfs/dbraw/zinc/24/92/92/388249292.db2.gz OFRUTKREALYCBC-SNVBAGLBSA-N 1 2 246.301 1.538 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449669544 388251040 /nfs/dbraw/zinc/25/10/40/388251040.db2.gz YAMGWRGVEKYDAQ-KXUCPTDWSA-N 1 2 231.361 1.668 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000456302752 388193393 /nfs/dbraw/zinc/19/33/93/388193393.db2.gz SMKYPDUTQUGESK-RYUDHWBXSA-N 1 2 235.331 1.682 20 0 BDADLO Cc1nc(N2CC[C@H]2C(C)C)nc(N(C)C)[nH+]1 ZINC000450816500 388258779 /nfs/dbraw/zinc/25/87/79/388258779.db2.gz WHOMRULWOLRGGL-JTQLQIEISA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H]2C(C)C)[nH+]1 ZINC000450816500 388258781 /nfs/dbraw/zinc/25/87/81/388258781.db2.gz WHOMRULWOLRGGL-JTQLQIEISA-N 1 2 235.335 1.481 20 0 BDADLO COc1cc(C)cnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000488963244 388199979 /nfs/dbraw/zinc/19/99/79/388199979.db2.gz VMJWFXAQRGCJKA-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000488992692 388200515 /nfs/dbraw/zinc/20/05/15/388200515.db2.gz LDDYMJSDQQFUIP-GHMZBOCLSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000488992692 388200518 /nfs/dbraw/zinc/20/05/18/388200518.db2.gz LDDYMJSDQQFUIP-GHMZBOCLSA-N 1 2 238.335 1.155 20 0 BDADLO CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)C1COC1 ZINC000449422102 388200708 /nfs/dbraw/zinc/20/07/08/388200708.db2.gz CMPYKFCPPXBPKT-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO CC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)C1COC1 ZINC000449422102 388200710 /nfs/dbraw/zinc/20/07/10/388200710.db2.gz CMPYKFCPPXBPKT-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000488992694 388200915 /nfs/dbraw/zinc/20/09/15/388200915.db2.gz LDDYMJSDQQFUIP-QWRGUYRKSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000488992694 388200918 /nfs/dbraw/zinc/20/09/18/388200918.db2.gz LDDYMJSDQQFUIP-QWRGUYRKSA-N 1 2 238.335 1.155 20 0 BDADLO CC[N@H+](Cc1cccc2nccn21)C1COC1 ZINC000449427667 388203219 /nfs/dbraw/zinc/20/32/19/388203219.db2.gz SGUNDEFRZUVEND-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@@H+](Cc1cccc2nccn21)C1COC1 ZINC000449427667 388203220 /nfs/dbraw/zinc/20/32/20/388203220.db2.gz SGUNDEFRZUVEND-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)C1COC1 ZINC000449429072 388203549 /nfs/dbraw/zinc/20/35/49/388203549.db2.gz WKPLBFQVZBGKKE-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)C1COC1 ZINC000449429072 388203551 /nfs/dbraw/zinc/20/35/51/388203551.db2.gz WKPLBFQVZBGKKE-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000489494290 388218576 /nfs/dbraw/zinc/21/85/76/388218576.db2.gz HKORBBKWESIJKW-VIFPVBQESA-N 1 2 235.335 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC[C@@H]2C)[nH+]1 ZINC000489494290 388218577 /nfs/dbraw/zinc/21/85/77/388218577.db2.gz HKORBBKWESIJKW-VIFPVBQESA-N 1 2 235.335 1.625 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CC2(C)C)[nH]1 ZINC000489499827 388218619 /nfs/dbraw/zinc/21/86/19/388218619.db2.gz UDDDNEOEZFOURK-MRVPVSSYSA-N 1 2 208.309 1.597 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CC2(C)C)[nH]1 ZINC000489499827 388218621 /nfs/dbraw/zinc/21/86/21/388218621.db2.gz UDDDNEOEZFOURK-MRVPVSSYSA-N 1 2 208.309 1.597 20 0 BDADLO CC[C@H]1C[C@H](C)CN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000489946412 388229254 /nfs/dbraw/zinc/22/92/54/388229254.db2.gz LSTAGJBPKWFZST-ONGXEEELSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@H]1C[C@H](C)CN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000489946412 388229257 /nfs/dbraw/zinc/22/92/57/388229257.db2.gz LSTAGJBPKWFZST-ONGXEEELSA-N 1 2 249.362 1.871 20 0 BDADLO CCC1(CNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC000490132724 388235263 /nfs/dbraw/zinc/23/52/63/388235263.db2.gz KTZUYIWFTFXTSP-UHFFFAOYSA-N 1 2 249.362 1.660 20 0 BDADLO CCC1(CNc2nc(C)[nH+]c(N(C)C)n2)CCC1 ZINC000490132724 388235265 /nfs/dbraw/zinc/23/52/65/388235265.db2.gz KTZUYIWFTFXTSP-UHFFFAOYSA-N 1 2 249.362 1.660 20 0 BDADLO CO[C@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000518382727 256569840 /nfs/dbraw/zinc/56/98/40/256569840.db2.gz BBZUHRMCVCXNOQ-WDEREUQCSA-N 1 2 239.319 1.375 20 0 BDADLO CC(C)CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449655356 388247820 /nfs/dbraw/zinc/24/78/20/388247820.db2.gz YULCHORSBJZHOK-JTQLQIEISA-N 1 2 248.317 1.784 20 0 BDADLO CC(C)(C)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449645718 388247904 /nfs/dbraw/zinc/24/79/04/388247904.db2.gz LKHMKONBAXMVDX-SECBINFHSA-N 1 2 248.317 1.784 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)no1 ZINC000451784886 388296143 /nfs/dbraw/zinc/29/61/43/388296143.db2.gz UVFAXWUJCBPGOO-SNVBAGLBSA-N 1 2 241.335 1.607 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)no1 ZINC000451784886 388296145 /nfs/dbraw/zinc/29/61/45/388296145.db2.gz UVFAXWUJCBPGOO-SNVBAGLBSA-N 1 2 241.335 1.607 20 0 BDADLO C[C@H](O)C[N@H+](CCc1cccnc1)CC(F)F ZINC000451833017 388299957 /nfs/dbraw/zinc/29/99/57/388299957.db2.gz MATDEGUNJHTHCO-JTQLQIEISA-N 1 2 244.285 1.572 20 0 BDADLO C[C@H](O)C[N@@H+](CCc1cccnc1)CC(F)F ZINC000451833017 388299958 /nfs/dbraw/zinc/29/99/58/388299958.db2.gz MATDEGUNJHTHCO-JTQLQIEISA-N 1 2 244.285 1.572 20 0 BDADLO O=C(C=Cc1ccc[nH]1)Nc1cc[nH+]cc1O ZINC000492036321 388332386 /nfs/dbraw/zinc/33/23/86/388332386.db2.gz WPSVICYXZBUIOO-ARJAWSKDSA-N 1 2 229.239 1.189 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000491953664 388329318 /nfs/dbraw/zinc/32/93/18/388329318.db2.gz KTDXKLXXIFEZOQ-ONEGZZNKSA-N 1 2 242.282 1.308 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)NCCc1[nH]cc[nH+]1 ZINC000491971944 388330173 /nfs/dbraw/zinc/33/01/73/388330173.db2.gz IQWZQRJHLAPYNK-ONEGZZNKSA-N 1 2 230.271 1.110 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451418453 388270618 /nfs/dbraw/zinc/27/06/18/388270618.db2.gz MKNHZOOYWUEOTN-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451418453 388270619 /nfs/dbraw/zinc/27/06/19/388270619.db2.gz MKNHZOOYWUEOTN-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO Cc1ccc(/C=C/C(=O)NCc2[nH+]ccn2C)o1 ZINC000492313881 388341238 /nfs/dbraw/zinc/34/12/38/388341238.db2.gz SGYRPZUECUWJGV-AATRIKPKSA-N 1 2 245.282 1.651 20 0 BDADLO C[C@@H]([NH2+]CCOc1ccccc1)c1ncn(C)n1 ZINC000275445686 388345083 /nfs/dbraw/zinc/34/50/83/388345083.db2.gz APCKHJRYTUSDQD-LLVKDONJSA-N 1 2 246.314 1.545 20 0 BDADLO C[C@H](Cn1cncn1)Nc1cccc[nH+]1 ZINC000277043073 388352649 /nfs/dbraw/zinc/35/26/49/388352649.db2.gz GDKRIRKTVYFOHB-SECBINFHSA-N 1 2 203.249 1.174 20 0 BDADLO C[C@@H](CNc1nc[nH+]c(N)c1Cl)C[C@H](C)O ZINC000277690855 388354403 /nfs/dbraw/zinc/35/44/03/388354403.db2.gz FVIYEQCLODZXLH-RQJHMYQMSA-N 1 2 244.726 1.531 20 0 BDADLO C[C@@H](CNc1[nH+]cnc(N)c1Cl)C[C@H](C)O ZINC000277690855 388354405 /nfs/dbraw/zinc/35/44/05/388354405.db2.gz FVIYEQCLODZXLH-RQJHMYQMSA-N 1 2 244.726 1.531 20 0 BDADLO Cc1cc(NC[C@@H](O)C2CCC2)nc[nH+]1 ZINC000315996031 388404765 /nfs/dbraw/zinc/40/47/65/388404765.db2.gz IKKUQWIZHWUUTI-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(NC[C@H](O)C2CCC2)cc[nH+]1 ZINC000315978887 388404812 /nfs/dbraw/zinc/40/48/12/388404812.db2.gz NGGNLEYXTKBPPX-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO CC[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524375407 388356390 /nfs/dbraw/zinc/35/63/90/388356390.db2.gz IMBYKGFIVSIRMF-SECBINFHSA-N 1 2 207.277 1.313 20 0 BDADLO CC[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524375408 388356564 /nfs/dbraw/zinc/35/65/64/388356564.db2.gz IMBYKGFIVSIRMF-VIFPVBQESA-N 1 2 207.277 1.313 20 0 BDADLO CCCSCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524375844 388356634 /nfs/dbraw/zinc/35/66/34/388356634.db2.gz VQJAWBPJAYQRJD-UHFFFAOYSA-N 1 2 239.344 1.410 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000227193534 388359350 /nfs/dbraw/zinc/35/93/50/388359350.db2.gz BBMADZGUDYVTEJ-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000227193534 388359353 /nfs/dbraw/zinc/35/93/53/388359353.db2.gz BBMADZGUDYVTEJ-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572774044 388375639 /nfs/dbraw/zinc/37/56/39/388375639.db2.gz QSPBFIPFYNCKNK-IUCAKERBSA-N 1 2 237.303 1.186 20 0 BDADLO CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)[NH3+] ZINC000236938406 388386707 /nfs/dbraw/zinc/38/67/07/388386707.db2.gz JQJXHZDZHMBVDR-GMTAPVOTSA-N 1 2 212.337 1.761 20 0 BDADLO CC[C@H]([NH3+])C(=O)NCc1sc(C)nc1C ZINC000236917233 388386769 /nfs/dbraw/zinc/38/67/69/388386769.db2.gz OQZHITVYNMIXBN-QMMMGPOBSA-N 1 2 227.333 1.113 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000520416490 256672754 /nfs/dbraw/zinc/67/27/54/256672754.db2.gz GGKGUZUOBOLIEM-IUCAKERBSA-N 1 2 221.304 1.807 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CC2(Cl)Cl)c[nH+]1 ZINC000237859380 388399650 /nfs/dbraw/zinc/39/96/50/388399650.db2.gz ALTXYUSDRMGVQU-ZCFIWIBFSA-N 1 2 246.097 1.796 20 0 BDADLO Cc1cc(NC(=O)C=CC2CCOCC2)cc[nH+]1 ZINC000492270375 388339837 /nfs/dbraw/zinc/33/98/37/388339837.db2.gz DREBLHCBCKFCQP-IHWYPQMZSA-N 1 2 246.310 1.733 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[C@@H]1C ZINC000492271392 388339997 /nfs/dbraw/zinc/33/99/97/388339997.db2.gz GDSOEEOMWFRKNN-NNOMMRTBSA-N 1 2 233.315 1.688 20 0 BDADLO CCC(C)(C)OCC[NH2+]Cc1ccn[nH]1 ZINC000308552433 388442267 /nfs/dbraw/zinc/44/22/67/388442267.db2.gz ZFCURTFBXZLCKQ-UHFFFAOYSA-N 1 2 211.309 1.705 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1O ZINC000335358858 388450112 /nfs/dbraw/zinc/45/01/12/388450112.db2.gz IILRGWBJLHWJNQ-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1O ZINC000335358858 388450113 /nfs/dbraw/zinc/45/01/13/388450113.db2.gz IILRGWBJLHWJNQ-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1CC1 ZINC000041571095 388457938 /nfs/dbraw/zinc/45/79/38/388457938.db2.gz KSCNSRWIUVQQFN-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000649215395 388459686 /nfs/dbraw/zinc/45/96/86/388459686.db2.gz KZCKNEPWOBQCTO-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649218679 388459970 /nfs/dbraw/zinc/45/99/70/388459970.db2.gz XIAPFZXOLCNRKO-AXFHLTTASA-N 1 2 233.315 1.455 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)OC ZINC000336677554 388462440 /nfs/dbraw/zinc/46/24/40/388462440.db2.gz HWLGRMUFCRNITP-BBBLOLIVSA-N 1 2 215.293 1.095 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC(C2CC2)C1 ZINC000649224671 388462566 /nfs/dbraw/zinc/46/25/66/388462566.db2.gz DGRLXIJXQXMHFH-NSHDSACASA-N 1 2 245.326 1.314 20 0 BDADLO CC/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649226263 388462917 /nfs/dbraw/zinc/46/29/17/388462917.db2.gz JJVGLANJWCKLLM-UFFNRZRYSA-N 1 2 233.315 1.528 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000648863842 388474867 /nfs/dbraw/zinc/47/48/67/388474867.db2.gz ZLEWHNGODARNAY-PSASIEDQSA-N 1 2 235.287 1.346 20 0 BDADLO CC[C@@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000573035854 388409892 /nfs/dbraw/zinc/40/98/92/388409892.db2.gz KSNNBDURFXZDNP-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]2C2CCC2)[nH+]1 ZINC000573084579 388418977 /nfs/dbraw/zinc/41/89/77/388418977.db2.gz HKGOWMCKDQBJSB-WDEREUQCSA-N 1 2 247.346 1.268 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2C2CCC2)nc(N(C)C)[nH+]1 ZINC000573084579 388418978 /nfs/dbraw/zinc/41/89/78/388418978.db2.gz HKGOWMCKDQBJSB-WDEREUQCSA-N 1 2 247.346 1.268 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000296302871 388421209 /nfs/dbraw/zinc/42/12/09/388421209.db2.gz MVJQVZOECMSOEZ-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000296302871 388421210 /nfs/dbraw/zinc/42/12/10/388421210.db2.gz MVJQVZOECMSOEZ-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1C/C=C(\C)Cl ZINC000528509383 388538209 /nfs/dbraw/zinc/53/82/09/388538209.db2.gz SARPCBYASWBWSA-JNZVDCKRSA-N 1 2 233.739 1.866 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1C/C=C(\C)Cl ZINC000528509383 388538211 /nfs/dbraw/zinc/53/82/11/388538211.db2.gz SARPCBYASWBWSA-JNZVDCKRSA-N 1 2 233.739 1.866 20 0 BDADLO C/C(Cl)=C/CN1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000528522340 388541866 /nfs/dbraw/zinc/54/18/66/388541866.db2.gz QESFWAYDSUWBBS-CHFYJCTLSA-N 1 2 230.739 1.144 20 0 BDADLO C/C(Cl)=C/CN1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000528522340 388541868 /nfs/dbraw/zinc/54/18/68/388541868.db2.gz QESFWAYDSUWBBS-CHFYJCTLSA-N 1 2 230.739 1.144 20 0 BDADLO COC(=O)[C@@H]1CCN(c2nc(C)[nH+]cc2C)[C@H]1C ZINC000520839761 388543112 /nfs/dbraw/zinc/54/31/12/388543112.db2.gz RJPWCLGQCPTRMJ-GXSJLCMTSA-N 1 2 249.314 1.481 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000528533693 388544294 /nfs/dbraw/zinc/54/42/94/388544294.db2.gz MKCUWGJNFUVSJH-BLFANLJRSA-N 1 2 248.326 1.810 20 0 BDADLO CSCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451585457 256783085 /nfs/dbraw/zinc/78/30/85/256783085.db2.gz DTSXBLOIQPZXIU-JTQLQIEISA-N 1 2 233.377 1.915 20 0 BDADLO COCCNc1cc(NC2CC2)nc[nH+]1 ZINC000243705160 388483116 /nfs/dbraw/zinc/48/31/16/388483116.db2.gz PMGFSUNHBCNPJS-UHFFFAOYSA-N 1 2 208.265 1.109 20 0 BDADLO COCCNc1cc(NC2CC2)[nH+]cn1 ZINC000243705160 388483120 /nfs/dbraw/zinc/48/31/20/388483120.db2.gz PMGFSUNHBCNPJS-UHFFFAOYSA-N 1 2 208.265 1.109 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H]2CC23CCC3)c[nH+]1 ZINC000648901852 388487325 /nfs/dbraw/zinc/48/73/25/388487325.db2.gz DHPNACDNXIOTSN-JTQLQIEISA-N 1 2 246.314 1.004 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)no1 ZINC000341038640 388495085 /nfs/dbraw/zinc/49/50/85/388495085.db2.gz CKPBJFYBCQQOLH-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)no1 ZINC000341038640 388495086 /nfs/dbraw/zinc/49/50/86/388495086.db2.gz CKPBJFYBCQQOLH-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCOCC1CC1 ZINC000517390186 388548945 /nfs/dbraw/zinc/54/89/45/388548945.db2.gz DAXTUTOWYKBMCG-UHFFFAOYSA-N 1 2 221.304 1.354 20 0 BDADLO Cc1c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cnn1C ZINC000345355398 388513393 /nfs/dbraw/zinc/51/33/93/388513393.db2.gz LSMVTJJOMWPDBD-SKDRFNHKSA-N 1 2 245.330 1.721 20 0 BDADLO CCC[C@@H](CNc1cc(CC)[nH+]cn1)OC ZINC000378818521 388515716 /nfs/dbraw/zinc/51/57/16/388515716.db2.gz CZQHMAVDQSCAQX-NSHDSACASA-N 1 2 223.320 1.688 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCOC2CCC2)n1 ZINC000516781172 388516646 /nfs/dbraw/zinc/51/66/46/388516646.db2.gz BLNRRJGZVXCQPQ-VIFPVBQESA-N 1 2 239.319 1.940 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCOC2CCC2)n1 ZINC000516781172 388516647 /nfs/dbraw/zinc/51/66/47/388516647.db2.gz BLNRRJGZVXCQPQ-VIFPVBQESA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1ncnn1C(C)C ZINC000345840691 388517078 /nfs/dbraw/zinc/51/70/78/388517078.db2.gz RHVKKDZJXMTNQF-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1ncnn1C(C)C ZINC000345840691 388517082 /nfs/dbraw/zinc/51/70/82/388517082.db2.gz RHVKKDZJXMTNQF-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)CCC1CC1 ZINC000548141202 388517435 /nfs/dbraw/zinc/51/74/35/388517435.db2.gz MEXBXOWKPCAFAX-UHFFFAOYSA-N 1 2 228.317 1.135 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000528402565 388520681 /nfs/dbraw/zinc/52/06/81/388520681.db2.gz HBAQARLBTAYQIQ-WHTZOINASA-N 1 2 242.750 1.872 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000528402565 388520685 /nfs/dbraw/zinc/52/06/85/388520685.db2.gz HBAQARLBTAYQIQ-WHTZOINASA-N 1 2 242.750 1.872 20 0 BDADLO CC[C@](C)([NH2+]Cc1ncccc1Cl)C(N)=O ZINC000528422007 388522285 /nfs/dbraw/zinc/52/22/85/388522285.db2.gz BYXSJXKLOCIIDY-NSHDSACASA-N 1 2 241.722 1.479 20 0 BDADLO C[C@H]1c2cccn2CCN1C(=O)Cn1cc[nH+]c1 ZINC000516900762 388523252 /nfs/dbraw/zinc/52/32/52/388523252.db2.gz FQPNFDKVEQZGMX-NSHDSACASA-N 1 2 244.298 1.288 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000528431647 388524459 /nfs/dbraw/zinc/52/44/59/388524459.db2.gz NEDMEJKGLVFCCI-LLGDCAAFSA-N 1 2 228.723 1.436 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000528431647 388524463 /nfs/dbraw/zinc/52/44/63/388524463.db2.gz NEDMEJKGLVFCCI-LLGDCAAFSA-N 1 2 228.723 1.436 20 0 BDADLO C[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000348150686 388525560 /nfs/dbraw/zinc/52/55/60/388525560.db2.gz ZJSZSJIEJSWEEV-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO CCN(CC)c1ccc(CNC(=O)NC)c[nH+]1 ZINC000079182225 388527253 /nfs/dbraw/zinc/52/72/53/388527253.db2.gz IUNJZSYXTFAFHO-UHFFFAOYSA-N 1 2 236.319 1.357 20 0 BDADLO CCN1CC[N@H+](C/C=C(/C)Cl)[C@@H](C)C1=O ZINC000528465280 388530124 /nfs/dbraw/zinc/53/01/24/388530124.db2.gz OTQAJVAHEKHSFA-BSKOKIOFSA-N 1 2 230.739 1.682 20 0 BDADLO CCN1CC[N@@H+](C/C=C(/C)Cl)[C@@H](C)C1=O ZINC000528465280 388530125 /nfs/dbraw/zinc/53/01/25/388530125.db2.gz OTQAJVAHEKHSFA-BSKOKIOFSA-N 1 2 230.739 1.682 20 0 BDADLO CN(c1nc(Cn2cc[nH+]c2)cs1)C1CC1 ZINC000136338894 388530798 /nfs/dbraw/zinc/53/07/98/388530798.db2.gz IAVJNCCLLLWSMG-UHFFFAOYSA-N 1 2 234.328 1.987 20 0 BDADLO CCC[C@H](OCC)C(=O)Nc1cc[nH+]cc1C ZINC000528466805 388531176 /nfs/dbraw/zinc/53/11/76/388531176.db2.gz PZUCFFNTLPHEEX-LBPRGKRZSA-N 1 2 236.315 1.956 20 0 BDADLO CCC(NC(=O)Cn1cc[nH+]c1)(C1CC1)C1CC1 ZINC000529795597 388589900 /nfs/dbraw/zinc/58/99/00/388589900.db2.gz IDZHEQITCSYKCR-UHFFFAOYSA-N 1 2 247.342 1.968 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)c2nccn21 ZINC000379181359 388595871 /nfs/dbraw/zinc/59/58/71/388595871.db2.gz RZBXZUNIICTDPC-WCBMZHEXSA-N 1 2 217.276 1.402 20 0 BDADLO CC1(C)COCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000188896802 388612982 /nfs/dbraw/zinc/61/29/82/388612982.db2.gz ZJIUXVYVKMEELR-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)COCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000188896802 388612984 /nfs/dbraw/zinc/61/29/84/388612984.db2.gz ZJIUXVYVKMEELR-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H](CO)C(C)(C)C ZINC000358100481 388553540 /nfs/dbraw/zinc/55/35/40/388553540.db2.gz FNJJGZXZXDYARC-VIFPVBQESA-N 1 2 249.318 1.182 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NCC(F)(F)F ZINC000548754919 388557877 /nfs/dbraw/zinc/55/78/77/388557877.db2.gz XWGFKCCJRDZQQW-KNVOCYPGSA-N 1 2 224.226 1.148 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)NCC(F)(F)F ZINC000548754919 388557880 /nfs/dbraw/zinc/55/78/80/388557880.db2.gz XWGFKCCJRDZQQW-KNVOCYPGSA-N 1 2 224.226 1.148 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000564355851 388558520 /nfs/dbraw/zinc/55/85/20/388558520.db2.gz WVIMQELWOUIXBQ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000564355851 388558523 /nfs/dbraw/zinc/55/85/23/388558523.db2.gz WVIMQELWOUIXBQ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)no1 ZINC000361426279 388560368 /nfs/dbraw/zinc/56/03/68/388560368.db2.gz MZVKHIDEYFKJFS-VIFPVBQESA-N 1 2 246.257 1.433 20 0 BDADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)no1 ZINC000361426279 388560371 /nfs/dbraw/zinc/56/03/71/388560371.db2.gz MZVKHIDEYFKJFS-VIFPVBQESA-N 1 2 246.257 1.433 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000528719429 388560949 /nfs/dbraw/zinc/56/09/49/388560949.db2.gz NBTLOWDAIZYGSD-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000528719429 388560951 /nfs/dbraw/zinc/56/09/51/388560951.db2.gz NBTLOWDAIZYGSD-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CC[C@@H](C)[C@H](CNc1cc[nH+]c(C)n1)OC ZINC000362975376 388563208 /nfs/dbraw/zinc/56/32/08/388563208.db2.gz FIPQUYBGDWEOKW-KOLCDFICSA-N 1 2 223.320 1.680 20 0 BDADLO Cc1cocc1C(=O)NCc1[nH]c[nH+]c1C ZINC000528739973 388565282 /nfs/dbraw/zinc/56/52/82/388565282.db2.gz DFWHHUUPEALLCF-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cocn1 ZINC000548873448 388566871 /nfs/dbraw/zinc/56/68/71/388566871.db2.gz WHFGUIQFCQPDCB-NSHDSACASA-N 1 2 232.287 1.575 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ncnn1C ZINC000528764463 388569246 /nfs/dbraw/zinc/56/92/46/388569246.db2.gz FMLNRSJXBPJSBC-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ncnn1C ZINC000528764463 388569248 /nfs/dbraw/zinc/56/92/48/388569248.db2.gz FMLNRSJXBPJSBC-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)n[nH]1 ZINC000528790182 388573931 /nfs/dbraw/zinc/57/39/31/388573931.db2.gz VCAVWEJXSBRMRO-NSHDSACASA-N 1 2 245.286 1.242 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)n[nH]1 ZINC000528790182 388573933 /nfs/dbraw/zinc/57/39/33/388573933.db2.gz VCAVWEJXSBRMRO-NSHDSACASA-N 1 2 245.286 1.242 20 0 BDADLO CC[C@H](Nc1[nH+]c2ccccc2n1C)[C@@H](C)O ZINC000386746711 388576700 /nfs/dbraw/zinc/57/67/00/388576700.db2.gz ZUFFWQYTDUTDEC-ZJUUUORDSA-N 1 2 233.315 1.567 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(C)(F)F ZINC000328193974 388585965 /nfs/dbraw/zinc/58/59/65/388585965.db2.gz QDKYTKMXHHGCOR-LURJTMIESA-N 1 2 217.219 1.317 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(C)(F)F ZINC000328193974 388585967 /nfs/dbraw/zinc/58/59/67/388585967.db2.gz QDKYTKMXHHGCOR-LURJTMIESA-N 1 2 217.219 1.317 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247738832 388669696 /nfs/dbraw/zinc/66/96/96/388669696.db2.gz WIKMPYOPVCFHKA-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247738832 388669698 /nfs/dbraw/zinc/66/96/98/388669698.db2.gz WIKMPYOPVCFHKA-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000248071768 388672683 /nfs/dbraw/zinc/67/26/83/388672683.db2.gz QPRBNFVOFXBDFQ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000248071768 388672685 /nfs/dbraw/zinc/67/26/85/388672685.db2.gz QPRBNFVOFXBDFQ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1nc(N)c(CNC(=O)C[C@H]2C=CCC2)c[nH+]1 ZINC000552183256 388677476 /nfs/dbraw/zinc/67/74/76/388677476.db2.gz MNLPMUNZLPOBIY-JTQLQIEISA-N 1 2 246.314 1.170 20 0 BDADLO CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000152602107 388678939 /nfs/dbraw/zinc/67/89/39/388678939.db2.gz QQFMOCPIFYZJDS-CHWSQXEVSA-N 1 2 241.423 1.647 20 0 BDADLO C[C@@H](NC(=O)CCc1ccoc1)c1[nH]cc[nH+]1 ZINC000552227451 388683275 /nfs/dbraw/zinc/68/32/75/388683275.db2.gz DOIOFERZAIFOHG-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccncc1)C(C)C ZINC000037661385 388646014 /nfs/dbraw/zinc/64/60/14/388646014.db2.gz QQTDMSZULFMPMI-GFCCVEGCSA-N 1 2 236.315 1.411 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCc1ccco1 ZINC000620409442 388646749 /nfs/dbraw/zinc/64/67/49/388646749.db2.gz QKUMARQXXOPHBJ-UHFFFAOYSA-N 1 2 233.271 1.573 20 0 BDADLO C[C@@H]1C[C@H](C)N1c1[nH+]cnc2c1cnn2C ZINC000530378753 388652726 /nfs/dbraw/zinc/65/27/26/388652726.db2.gz PVSPTJMCHMUJIT-OCAPTIKFSA-N 1 2 217.276 1.350 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](CCOC(C)C)C1CC1 ZINC000190815840 388657145 /nfs/dbraw/zinc/65/71/45/388657145.db2.gz WWYIMDXZEINQAJ-NSHDSACASA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](CCOC(C)C)C1CC1 ZINC000190815840 388657148 /nfs/dbraw/zinc/65/71/48/388657148.db2.gz WWYIMDXZEINQAJ-NSHDSACASA-N 1 2 243.347 1.827 20 0 BDADLO Cc1nc(N)c(CNC(=O)C2CCCCC2)c[nH+]1 ZINC000552018645 388659528 /nfs/dbraw/zinc/65/95/28/388659528.db2.gz OKWLMPDSEJRWKC-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO C[N@H+](C[C@@H]1CCCO1)CN1CC(C)(C)OC1=O ZINC000124188657 388660981 /nfs/dbraw/zinc/66/09/81/388660981.db2.gz FYVPPPSUZNGREW-JTQLQIEISA-N 1 2 242.319 1.286 20 0 BDADLO C[N@@H+](C[C@@H]1CCCO1)CN1CC(C)(C)OC1=O ZINC000124188657 388660984 /nfs/dbraw/zinc/66/09/84/388660984.db2.gz FYVPPPSUZNGREW-JTQLQIEISA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)OC)C[C@H](C)O1 ZINC000247372953 388662934 /nfs/dbraw/zinc/66/29/34/388662934.db2.gz FICZWOHJPZUVRR-IVZWLZJFSA-N 1 2 215.293 1.047 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)OC)C[C@H](C)O1 ZINC000247372953 388662936 /nfs/dbraw/zinc/66/29/36/388662936.db2.gz FICZWOHJPZUVRR-IVZWLZJFSA-N 1 2 215.293 1.047 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000128042534 388736764 /nfs/dbraw/zinc/73/67/64/388736764.db2.gz JLRGKTBNENUIIK-SNVBAGLBSA-N 1 2 239.306 1.748 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000128042534 388736766 /nfs/dbraw/zinc/73/67/66/388736766.db2.gz JLRGKTBNENUIIK-SNVBAGLBSA-N 1 2 239.306 1.748 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC000552849183 388738585 /nfs/dbraw/zinc/73/85/85/388738585.db2.gz KABHVOYJLTWRGQ-UHFFFAOYSA-N 1 2 243.310 1.850 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000128211176 388741015 /nfs/dbraw/zinc/74/10/15/388741015.db2.gz RHLFTDLPVXFVHI-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000128211176 388741017 /nfs/dbraw/zinc/74/10/17/388741017.db2.gz RHLFTDLPVXFVHI-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO CCCCO[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000065535248 388695500 /nfs/dbraw/zinc/69/55/00/388695500.db2.gz RSPJTTUYNDFGBM-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249045171 388705901 /nfs/dbraw/zinc/70/59/01/388705901.db2.gz VTEYTPFTWAQTLH-AAEUAGOBSA-N 1 2 249.314 1.029 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249045171 388705904 /nfs/dbraw/zinc/70/59/04/388705904.db2.gz VTEYTPFTWAQTLH-AAEUAGOBSA-N 1 2 249.314 1.029 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)OC(C)(C)C1 ZINC000195515286 388711603 /nfs/dbraw/zinc/71/16/03/388711603.db2.gz SBTOYWLVQHLNIX-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1ccnc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000195515286 388711606 /nfs/dbraw/zinc/71/16/06/388711606.db2.gz SBTOYWLVQHLNIX-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1ccnc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000195515286 388711608 /nfs/dbraw/zinc/71/16/08/388711608.db2.gz SBTOYWLVQHLNIX-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)cn1 ZINC000538726073 388712643 /nfs/dbraw/zinc/71/26/43/388712643.db2.gz RLKRYABPYHRFEU-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)cn1 ZINC000538726073 388712646 /nfs/dbraw/zinc/71/26/46/388712646.db2.gz RLKRYABPYHRFEU-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2C)[nH]1 ZINC000249282387 388715435 /nfs/dbraw/zinc/71/54/35/388715435.db2.gz HBBYAJQOBUMALE-RKDXNWHRSA-N 1 2 240.376 1.693 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](C)[C@H]2C)[nH]1 ZINC000249282387 388715437 /nfs/dbraw/zinc/71/54/37/388715437.db2.gz HBBYAJQOBUMALE-RKDXNWHRSA-N 1 2 240.376 1.693 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000226592381 388724608 /nfs/dbraw/zinc/72/46/08/388724608.db2.gz IMDWCVVGJHMWKK-GMTAPVOTSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1cc(C)c(NC(=O)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000194402216 388731778 /nfs/dbraw/zinc/73/17/78/388731778.db2.gz RYARYJITXOUPHR-LLVKDONJSA-N 1 2 234.299 1.982 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C2CCCC2)CCO1 ZINC000523051911 388793435 /nfs/dbraw/zinc/79/34/35/388793435.db2.gz RAMTWNNBISWDLE-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CCCC2)CCO1 ZINC000523051911 388793438 /nfs/dbraw/zinc/79/34/38/388793438.db2.gz RAMTWNNBISWDLE-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](O)CCCNc1nc[nH+]c(N)c1Cl ZINC000228000244 388764876 /nfs/dbraw/zinc/76/48/76/388764876.db2.gz AJBMVLKFRGZKJE-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO C[C@H](O)CCCNc1[nH+]cnc(N)c1Cl ZINC000228000244 388764878 /nfs/dbraw/zinc/76/48/78/388764878.db2.gz AJBMVLKFRGZKJE-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC000554374924 388812248 /nfs/dbraw/zinc/81/22/48/388812248.db2.gz PUQNQRZUWYMTOI-UHFFFAOYSA-N 1 2 209.293 1.220 20 0 BDADLO CC(C)SCCNC(=O)Cc1c[nH+]cn1C ZINC000553703949 388786366 /nfs/dbraw/zinc/78/63/66/388786366.db2.gz QUNNBYPWHQSNTI-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)[C@@H](C)OC)C(C)C ZINC000229374757 388787000 /nfs/dbraw/zinc/78/70/00/388787000.db2.gz HNXQZIGVEXDRIL-BBBLOLIVSA-N 1 2 217.309 1.197 20 0 BDADLO CO[C@@H](C)CCNc1nc(C)[nH+]cc1C ZINC000564225586 388789748 /nfs/dbraw/zinc/78/97/48/388789748.db2.gz IWAWCUFKMKELAR-VIFPVBQESA-N 1 2 209.293 1.352 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)on1 ZINC000068476718 388789905 /nfs/dbraw/zinc/78/99/05/388789905.db2.gz GBZIIAJBBJZUOJ-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)on1 ZINC000068476718 388789907 /nfs/dbraw/zinc/78/99/07/388789907.db2.gz GBZIIAJBBJZUOJ-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO COCC(COC)[NH2+]Cc1n[nH]c2ccccc21 ZINC000648755853 388831152 /nfs/dbraw/zinc/83/11/52/388831152.db2.gz ADJIFTUHMGLWFW-UHFFFAOYSA-N 1 2 249.314 1.314 20 0 BDADLO Cc1cc(NC(=O)N2CCOCC[C@H]2C)cc[nH+]1 ZINC000362258604 177701567 /nfs/dbraw/zinc/70/15/67/177701567.db2.gz RGDSSYLUONWNNN-LLVKDONJSA-N 1 2 249.314 1.455 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000649119352 388833513 /nfs/dbraw/zinc/83/35/13/388833513.db2.gz CRUJOHXAYCMVBN-JTQLQIEISA-N 1 2 235.331 1.702 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000555063890 388838113 /nfs/dbraw/zinc/83/81/13/388838113.db2.gz BYWUCIXKUGGDKS-KXUCPTDWSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000555063890 388838114 /nfs/dbraw/zinc/83/81/14/388838114.db2.gz BYWUCIXKUGGDKS-KXUCPTDWSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000555063892 388839223 /nfs/dbraw/zinc/83/92/23/388839223.db2.gz BYWUCIXKUGGDKS-UTLUCORTSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000555063892 388839227 /nfs/dbraw/zinc/83/92/27/388839227.db2.gz BYWUCIXKUGGDKS-UTLUCORTSA-N 1 2 233.315 1.429 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000523451094 388840019 /nfs/dbraw/zinc/84/00/19/388840019.db2.gz QSGGHJYDFDOHJI-VIFPVBQESA-N 1 2 236.290 1.491 20 0 BDADLO CNC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000523451094 388840022 /nfs/dbraw/zinc/84/00/22/388840022.db2.gz QSGGHJYDFDOHJI-VIFPVBQESA-N 1 2 236.290 1.491 20 0 BDADLO Cc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523700053 388854381 /nfs/dbraw/zinc/85/43/81/388854381.db2.gz QKDGBKJPZWBEOE-UHFFFAOYSA-N 1 2 241.294 1.889 20 0 BDADLO C[C@H](C[NH2+]Cc1ccc2nc[nH]c2c1)C[NH+](C)C ZINC000555582193 388855183 /nfs/dbraw/zinc/85/51/83/388855183.db2.gz DQCXVMUHHXNVAQ-LLVKDONJSA-N 1 2 246.358 1.850 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000555634885 388856894 /nfs/dbraw/zinc/85/68/94/388856894.db2.gz KZQBAXOWMYUZOG-ZJUUUORDSA-N 1 2 223.324 1.313 20 0 BDADLO CCCCn1nnnc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000555634885 388856896 /nfs/dbraw/zinc/85/68/96/388856896.db2.gz KZQBAXOWMYUZOG-ZJUUUORDSA-N 1 2 223.324 1.313 20 0 BDADLO COC[C@@H]([NH2+]Cc1noc(C(C)C)n1)C(C)C ZINC000541594214 388859829 /nfs/dbraw/zinc/85/98/29/388859829.db2.gz USJFFRRUXNNWTR-SNVBAGLBSA-N 1 2 241.335 1.954 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541880592 388871898 /nfs/dbraw/zinc/87/18/98/388871898.db2.gz LALCKKKIDOUCNT-MNOVXSKESA-N 1 2 235.331 1.949 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000555367299 388846020 /nfs/dbraw/zinc/84/60/20/388846020.db2.gz GXFDEZAYQXOJCH-QMMMGPOBSA-N 1 2 217.219 1.223 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000555367299 388846026 /nfs/dbraw/zinc/84/60/26/388846026.db2.gz GXFDEZAYQXOJCH-QMMMGPOBSA-N 1 2 217.219 1.223 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000129477424 388847005 /nfs/dbraw/zinc/84/70/05/388847005.db2.gz LRHQMGVWYSDKJS-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000129477424 388847006 /nfs/dbraw/zinc/84/70/06/388847006.db2.gz LRHQMGVWYSDKJS-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC(C)SCC(=O)N1CCn2c[nH+]cc2C1 ZINC000564596032 388880980 /nfs/dbraw/zinc/88/09/80/388880980.db2.gz ADESNHAZDNUFNR-UHFFFAOYSA-N 1 2 239.344 1.367 20 0 BDADLO Cc1cnn(CC[N@@H+](C)[C@H](C)c2nc(C)no2)c1 ZINC000564665230 388882876 /nfs/dbraw/zinc/88/28/76/388882876.db2.gz HMJMYUMXFBUWCP-SNVBAGLBSA-N 1 2 249.318 1.576 20 0 BDADLO Cc1cnn(CC[N@H+](C)[C@H](C)c2nc(C)no2)c1 ZINC000564665230 388882879 /nfs/dbraw/zinc/88/28/79/388882879.db2.gz HMJMYUMXFBUWCP-SNVBAGLBSA-N 1 2 249.318 1.576 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000564757892 388886553 /nfs/dbraw/zinc/88/65/53/388886553.db2.gz YDPFBRYYPRHVMS-OUAUKWLOSA-N 1 2 233.315 1.455 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649167468 388886589 /nfs/dbraw/zinc/88/65/89/388886589.db2.gz SEWZIEQJMOFUOS-GMTAPVOTSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649167468 388886595 /nfs/dbraw/zinc/88/65/95/388886595.db2.gz SEWZIEQJMOFUOS-GMTAPVOTSA-N 1 2 233.315 1.647 20 0 BDADLO CO[C@@H](C[N@@H+]1CCC[C@@H]1c1ncon1)C1CC1 ZINC000564880108 388896181 /nfs/dbraw/zinc/89/61/81/388896181.db2.gz BVSMIDATGFEUSY-MNOVXSKESA-N 1 2 237.303 1.632 20 0 BDADLO CO[C@@H](C[N@H+]1CCC[C@@H]1c1ncon1)C1CC1 ZINC000564880108 388896182 /nfs/dbraw/zinc/89/61/82/388896182.db2.gz BVSMIDATGFEUSY-MNOVXSKESA-N 1 2 237.303 1.632 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1snnc1C1CC1 ZINC000564449559 388876363 /nfs/dbraw/zinc/87/63/63/388876363.db2.gz JLTUEFYCDIGSSQ-UHFFFAOYSA-N 1 2 249.299 1.069 20 0 BDADLO Oc1cccnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000565167369 388919710 /nfs/dbraw/zinc/91/97/10/388919710.db2.gz WRLUEGYUOPVYNN-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000565167369 388919705 /nfs/dbraw/zinc/91/97/05/388919705.db2.gz WRLUEGYUOPVYNN-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC=C(F)C1 ZINC000565193440 388924165 /nfs/dbraw/zinc/92/41/65/388924165.db2.gz CFEOBLKZYWLTTR-SECBINFHSA-N 1 2 237.278 1.674 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC=C(F)C1 ZINC000565193440 388924162 /nfs/dbraw/zinc/92/41/62/388924162.db2.gz CFEOBLKZYWLTTR-SECBINFHSA-N 1 2 237.278 1.674 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC(C)(C)C[C@H]1C ZINC000565226166 388928243 /nfs/dbraw/zinc/92/82/43/388928243.db2.gz KPKCCMZMSMBMPX-MRVPVSSYSA-N 1 2 236.319 1.692 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC(C)(C)C[C@H]1C ZINC000565226166 388928239 /nfs/dbraw/zinc/92/82/39/388928239.db2.gz KPKCCMZMSMBMPX-MRVPVSSYSA-N 1 2 236.319 1.692 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)CC(F)F)c1[nH]cc[nH+]1 ZINC000565609319 388959019 /nfs/dbraw/zinc/95/90/19/388959019.db2.gz VQPHEWNKLSIMSI-NKWVEPMBSA-N 1 2 231.246 1.878 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@H]1F ZINC000565679391 388961909 /nfs/dbraw/zinc/96/19/09/388961909.db2.gz ZYMMPHRIQRXBKM-BDAKNGLRSA-N 1 2 225.267 1.267 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1F ZINC000565679391 388961905 /nfs/dbraw/zinc/96/19/05/388961905.db2.gz ZYMMPHRIQRXBKM-BDAKNGLRSA-N 1 2 225.267 1.267 20 0 BDADLO Cc1cc(C)nc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000565782174 388968926 /nfs/dbraw/zinc/96/89/26/388968926.db2.gz AJWIDSPUIDXJHD-GFCCVEGCSA-N 1 2 247.342 1.977 20 0 BDADLO CO[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC000263953068 388991129 /nfs/dbraw/zinc/99/11/29/388991129.db2.gz ZVAQMACQBSJXIO-MRVPVSSYSA-N 1 2 235.291 1.200 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCc1ccncc1 ZINC000266937928 388997981 /nfs/dbraw/zinc/99/79/81/388997981.db2.gz AJPBLNCLPJLKEK-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1O ZINC000270896860 389015913 /nfs/dbraw/zinc/01/59/13/389015913.db2.gz MAOGYAPMBWNWSH-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1O ZINC000270896860 389015918 /nfs/dbraw/zinc/01/59/18/389015918.db2.gz MAOGYAPMBWNWSH-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)C1CC1 ZINC000493712578 533356047 /nfs/dbraw/zinc/35/60/47/533356047.db2.gz VUVZRNDFKHPSDH-LOWVWBTDSA-N 1 2 241.331 1.079 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccnn1C ZINC000530524134 322826043 /nfs/dbraw/zinc/82/60/43/322826043.db2.gz FRSXIOAXZHQYON-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cc1ccc(C)c(C[NH+]2CC3(C2)CNC(=O)O3)c1 ZINC000496630276 533668105 /nfs/dbraw/zinc/66/81/05/533668105.db2.gz ZZQJRDDIMXKJPC-UHFFFAOYSA-N 1 2 246.310 1.598 20 0 BDADLO OC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267228402 132188662 /nfs/dbraw/zinc/18/86/62/132188662.db2.gz PMNYQWQYXMCDIZ-UHFFFAOYSA-N 1 2 229.283 1.591 20 0 BDADLO CO[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC000275932279 132205591 /nfs/dbraw/zinc/20/55/91/132205591.db2.gz FYFGNFYPQYHBOO-KOLCDFICSA-N 1 2 221.304 1.646 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000277000411 132206720 /nfs/dbraw/zinc/20/67/20/132206720.db2.gz WYRBURARRPJMNB-ONGXEEELSA-N 1 2 249.314 1.420 20 0 BDADLO CO[C@@H]1CCN(c2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000281693644 132211624 /nfs/dbraw/zinc/21/16/24/132211624.db2.gz SAEBXGQWTSMLKR-GXSJLCMTSA-N 1 2 221.304 1.789 20 0 BDADLO OC[C@@]1(F)CCCN(c2cccc[nH+]2)C1 ZINC000286596456 132215226 /nfs/dbraw/zinc/21/52/26/132215226.db2.gz ZJVFMVKSTKKBGC-LLVKDONJSA-N 1 2 210.252 1.382 20 0 BDADLO COC(=O)C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000050070515 132228235 /nfs/dbraw/zinc/22/82/35/132228235.db2.gz VAZRZRVPNWASCZ-UHFFFAOYSA-N 1 2 235.287 1.174 20 0 BDADLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)ncn1 ZINC000301220438 132251639 /nfs/dbraw/zinc/25/16/39/132251639.db2.gz AZIGOGQFDISIJJ-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO C[C@H]1COCCN1c1nc(N)c2ccccc2[nH+]1 ZINC000301807926 132257804 /nfs/dbraw/zinc/25/78/04/132257804.db2.gz YKSXQXPXWARSRA-VIFPVBQESA-N 1 2 244.298 1.437 20 0 BDADLO c1ccc(N2CCO[C@@]3(CCOC3)C2)[nH+]c1 ZINC000302232294 132262346 /nfs/dbraw/zinc/26/23/46/132262346.db2.gz YIZDCGRUOSWSDY-LBPRGKRZSA-N 1 2 220.272 1.077 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CC[C@H]1O ZINC000302403490 132263111 /nfs/dbraw/zinc/26/31/11/132263111.db2.gz KITBCWXLNSCNPJ-MWLCHTKSSA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@H]1CN(c2cccc[nH+]2)C[C@]2(CCOC2)O1 ZINC000373650038 132286439 /nfs/dbraw/zinc/28/64/39/132286439.db2.gz XBQQAYNRWMRDOL-JSGCOSHPSA-N 1 2 248.326 1.856 20 0 BDADLO Cc1cc(N2CCC(F)(F)[C@H](CO)C2)nc[nH+]1 ZINC000359955520 132311647 /nfs/dbraw/zinc/31/16/47/132311647.db2.gz UCMVTOOZWHECCQ-VIFPVBQESA-N 1 2 243.257 1.239 20 0 BDADLO CC(=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000019870973 132328272 /nfs/dbraw/zinc/32/82/72/132328272.db2.gz YPFRHSPRVJFGIV-UHFFFAOYSA-N 1 2 236.290 1.780 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCC(F)(F)F ZINC000088094332 133547608 /nfs/dbraw/zinc/54/76/08/133547608.db2.gz CYQUBKLDIQVQAD-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCC(F)(F)F ZINC000088094332 133547609 /nfs/dbraw/zinc/54/76/09/133547609.db2.gz CYQUBKLDIQVQAD-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000334264873 133607716 /nfs/dbraw/zinc/60/77/16/133607716.db2.gz LRQFSIREIODKBP-JQWIXIFHSA-N 1 2 243.310 1.792 20 0 BDADLO C[C@]1(F)CC[N@H+](CCOCC(F)(F)F)C1 ZINC000347339341 133821383 /nfs/dbraw/zinc/82/13/83/133821383.db2.gz FDUOFSGSEZJEQI-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO C[C@]1(F)CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000347339341 133821384 /nfs/dbraw/zinc/82/13/84/133821384.db2.gz FDUOFSGSEZJEQI-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335493174 133865774 /nfs/dbraw/zinc/86/57/74/133865774.db2.gz XKUDQJLPBRYZCT-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1CC[N@H+](CCc2cnn(C)c2)CC1(F)F ZINC000335937740 134013014 /nfs/dbraw/zinc/01/30/14/134013014.db2.gz ITIZHMDGFBXLJO-JTQLQIEISA-N 1 2 243.301 1.940 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2cnn(C)c2)CC1(F)F ZINC000335937740 134013015 /nfs/dbraw/zinc/01/30/15/134013015.db2.gz ITIZHMDGFBXLJO-JTQLQIEISA-N 1 2 243.301 1.940 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@@](=O)[C@H](C)C2)cc1 ZINC000335944708 134019255 /nfs/dbraw/zinc/01/92/55/134019255.db2.gz BXPIWNHJQSCBTE-MLGOLLRUSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@@](=O)[C@H](C)C2)cc1 ZINC000335944708 134019256 /nfs/dbraw/zinc/01/92/56/134019256.db2.gz BXPIWNHJQSCBTE-MLGOLLRUSA-N 1 2 237.368 1.948 20 0 BDADLO c1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n[nH]1 ZINC000335960141 134026501 /nfs/dbraw/zinc/02/65/01/134026501.db2.gz ATZSCDRPMNIBEA-STQMWFEESA-N 1 2 233.315 1.553 20 0 BDADLO c1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n[nH]1 ZINC000335960141 134026502 /nfs/dbraw/zinc/02/65/02/134026502.db2.gz ATZSCDRPMNIBEA-STQMWFEESA-N 1 2 233.315 1.553 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000335960180 134026664 /nfs/dbraw/zinc/02/66/64/134026664.db2.gz GNTXTIZWXKEGDB-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO CC(C)=CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000335992193 134040688 /nfs/dbraw/zinc/04/06/88/134040688.db2.gz ZPJAJCGSHLRQCW-GHMZBOCLSA-N 1 2 215.362 1.794 20 0 BDADLO Cc1nnc([C@@H]2C[N@H+](CC[C@H](C)F)CCO2)[nH]1 ZINC000352043412 134045576 /nfs/dbraw/zinc/04/55/76/134045576.db2.gz CZEMJASLQRAXHX-WPRPVWTQSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nnc([C@@H]2C[N@@H+](CC[C@H](C)F)CCO2)[nH]1 ZINC000352043412 134045577 /nfs/dbraw/zinc/04/55/77/134045577.db2.gz CZEMJASLQRAXHX-WPRPVWTQSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CC[C@H](C)F)CCO2)n[nH]1 ZINC000352043412 134045578 /nfs/dbraw/zinc/04/55/78/134045578.db2.gz CZEMJASLQRAXHX-WPRPVWTQSA-N 1 2 242.298 1.235 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000336012777 134052057 /nfs/dbraw/zinc/05/20/57/134052057.db2.gz DYOINMZZBYIRBL-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000336012778 134052119 /nfs/dbraw/zinc/05/21/19/134052119.db2.gz DYOINMZZBYIRBL-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1ccnc(C[NH+]2CCSCC2)n1 ZINC000336023145 134056526 /nfs/dbraw/zinc/05/65/26/134056526.db2.gz UAZCQPUMLMWYNJ-UHFFFAOYSA-N 1 2 209.318 1.334 20 0 BDADLO CNC(=O)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000336088476 134077363 /nfs/dbraw/zinc/07/73/63/134077363.db2.gz BAWHXXYKZQHJMY-UHFFFAOYSA-N 1 2 204.273 1.057 20 0 BDADLO CNC(=O)C[N@H+]1Cc2ccc(C)cc2C1 ZINC000336088476 134077364 /nfs/dbraw/zinc/07/73/64/134077364.db2.gz BAWHXXYKZQHJMY-UHFFFAOYSA-N 1 2 204.273 1.057 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336100816 134083388 /nfs/dbraw/zinc/08/33/88/134083388.db2.gz JLBANXMRMNUBEG-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO C[C@@H]1CCN(CC[NH+]2CCOCC2)CC1(F)F ZINC000336103028 134083839 /nfs/dbraw/zinc/08/38/39/134083839.db2.gz TYMOXCYWTGQVJL-LLVKDONJSA-N 1 2 248.317 1.296 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)C2)[nH]1 ZINC000336111579 134086778 /nfs/dbraw/zinc/08/67/78/134086778.db2.gz IVZSGFBZGAITBK-SSDOTTSWSA-N 1 2 212.322 1.050 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)o2)[C@H](C)C1=O ZINC000336116551 134088841 /nfs/dbraw/zinc/08/88/41/134088841.db2.gz IAJBQZYZOYHCOX-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)o2)[C@H](C)C1=O ZINC000336116551 134088842 /nfs/dbraw/zinc/08/88/42/134088842.db2.gz IAJBQZYZOYHCOX-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H]2CCO)cc[nH+]1 ZINC000336119178 134089549 /nfs/dbraw/zinc/08/95/49/134089549.db2.gz IRKFEOYGAGNHBK-GFCCVEGCSA-N 1 2 249.314 1.191 20 0 BDADLO CC[N@H+](C[C@H](C)O)[C@H](C)c1nnc(C)s1 ZINC000352195940 134098827 /nfs/dbraw/zinc/09/88/27/134098827.db2.gz VLRNFAGSOAAGRX-JGVFFNPUSA-N 1 2 229.349 1.610 20 0 BDADLO CC[N@@H+](C[C@H](C)O)[C@H](C)c1nnc(C)s1 ZINC000352195940 134098828 /nfs/dbraw/zinc/09/88/28/134098828.db2.gz VLRNFAGSOAAGRX-JGVFFNPUSA-N 1 2 229.349 1.610 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000336161314 134111040 /nfs/dbraw/zinc/11/10/40/134111040.db2.gz COFDYHIVXYSCJN-MNOVXSKESA-N 1 2 243.253 1.436 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000336161314 134111041 /nfs/dbraw/zinc/11/10/41/134111041.db2.gz COFDYHIVXYSCJN-MNOVXSKESA-N 1 2 243.253 1.436 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CC(F)C3)[nH+]c12 ZINC000336173124 134115950 /nfs/dbraw/zinc/11/59/50/134115950.db2.gz NOCDCRPAKQCMRR-UHFFFAOYSA-N 1 2 247.273 1.366 20 0 BDADLO O=C1CCCN1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000336177766 134117480 /nfs/dbraw/zinc/11/74/80/134117480.db2.gz IQVSMOGNEZWNIM-LBPRGKRZSA-N 1 2 245.326 1.673 20 0 BDADLO Cc1ccn(CC(=O)Nc2ccc(C)[nH+]c2C)n1 ZINC000336202213 134130798 /nfs/dbraw/zinc/13/07/98/134130798.db2.gz QRIQCRFGGFUIDO-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC1(C)C ZINC000336208223 134133317 /nfs/dbraw/zinc/13/33/17/134133317.db2.gz DWZIHXGAYSBAGL-CMPLNLGQSA-N 1 2 247.342 1.702 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000336219261 134138585 /nfs/dbraw/zinc/13/85/85/134138585.db2.gz ARRJKRFNLXJADJ-QWHCGFSZSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cnccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000336219261 134138586 /nfs/dbraw/zinc/13/85/86/134138586.db2.gz ARRJKRFNLXJADJ-QWHCGFSZSA-N 1 2 236.290 1.974 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(F)c1 ZINC000168597903 134228148 /nfs/dbraw/zinc/22/81/48/134228148.db2.gz SVMHJSGEGCFBNF-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(F)c1 ZINC000168597903 134228149 /nfs/dbraw/zinc/22/81/49/134228149.db2.gz SVMHJSGEGCFBNF-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(F)cc1 ZINC000168605797 134231194 /nfs/dbraw/zinc/23/11/94/134231194.db2.gz MTGRTWSPORFGQL-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(F)cc1 ZINC000168605797 134231195 /nfs/dbraw/zinc/23/11/95/134231195.db2.gz MTGRTWSPORFGQL-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cnn(C)c1 ZINC000085187868 134248363 /nfs/dbraw/zinc/24/83/63/134248363.db2.gz NFHYGSZMICQDOX-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO CC(C)[C@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000172465051 134266408 /nfs/dbraw/zinc/26/64/08/134266408.db2.gz JSSHUPKNFIEKAO-LLVKDONJSA-N 1 2 238.335 1.474 20 0 BDADLO CC1(C)CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000173817766 134277898 /nfs/dbraw/zinc/27/78/98/134277898.db2.gz GYLTXEZFRPETIV-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO CC1(C)CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000173817766 134277899 /nfs/dbraw/zinc/27/78/99/134277899.db2.gz GYLTXEZFRPETIV-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000174757783 134283252 /nfs/dbraw/zinc/28/32/52/134283252.db2.gz FCTNVUMLNBYVSG-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO CN(Cc1cn2ccccc2[nH+]1)c1cnn(C)c1 ZINC000177803163 134300563 /nfs/dbraw/zinc/30/05/63/134300563.db2.gz FDDPLVBJWPDTKN-UHFFFAOYSA-N 1 2 241.298 1.704 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CCCCC3)C2)n[nH]1 ZINC000179936759 134325467 /nfs/dbraw/zinc/32/54/67/134325467.db2.gz RDYDYKWMTIAXKI-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CCCCC3)C2)n[nH]1 ZINC000179936759 134325468 /nfs/dbraw/zinc/32/54/68/134325468.db2.gz RDYDYKWMTIAXKI-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO Cc1nc(N2CCC[C@H]2C(C)(C)O)cc[nH+]1 ZINC000181240165 134334725 /nfs/dbraw/zinc/33/47/25/134334725.db2.gz JQXVRTQHALMQOK-JTQLQIEISA-N 1 2 221.304 1.525 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccccn1 ZINC000181809239 134340147 /nfs/dbraw/zinc/34/01/47/134340147.db2.gz UWZKXQCFOHBVTH-VIFPVBQESA-N 1 2 229.287 1.305 20 0 BDADLO Clc1cnc(C[NH2+]CCc2nc[nH]n2)s1 ZINC000225363829 134355087 /nfs/dbraw/zinc/35/50/87/134355087.db2.gz ASQQOUPYRIFCMI-UHFFFAOYSA-N 1 2 243.723 1.247 20 0 BDADLO CCn1cc[nH+]c1CN(C)[C@H](C)C[S@](C)=O ZINC000185224184 134375665 /nfs/dbraw/zinc/37/56/65/134375665.db2.gz OYBIZWSDGNJADH-HWPZZCPQSA-N 1 2 243.376 1.102 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@H]2CC[C@H](C)O2)no1 ZINC000408310055 134701687 /nfs/dbraw/zinc/70/16/87/134701687.db2.gz POSCJSVDDXRLIS-WCBMZHEXSA-N 1 2 239.319 1.770 20 0 BDADLO Cc1ccsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651439 135003279 /nfs/dbraw/zinc/00/32/79/135003279.db2.gz DVAOIJSPPQLVEY-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccnc1 ZINC000070650706 135004346 /nfs/dbraw/zinc/00/43/46/135004346.db2.gz ADQFTCSBQCITNL-UHFFFAOYSA-N 1 2 216.244 1.077 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000248399876 135004877 /nfs/dbraw/zinc/00/48/77/135004877.db2.gz WLNRUSBEWGPDIY-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000248399876 135004878 /nfs/dbraw/zinc/00/48/78/135004878.db2.gz WLNRUSBEWGPDIY-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccccc1O ZINC000070651955 135005877 /nfs/dbraw/zinc/00/58/77/135005877.db2.gz NNOVVRSPUWHWOL-UHFFFAOYSA-N 1 2 217.228 1.045 20 0 BDADLO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cccc[nH+]1 ZINC000249555344 135041107 /nfs/dbraw/zinc/04/11/07/135041107.db2.gz LUZPPDIFTDOZDV-BSFRTMCYSA-N 1 2 216.284 1.287 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000250706803 135058459 /nfs/dbraw/zinc/05/84/59/135058459.db2.gz WODBLAQRSRRSLS-ZDCRXTMVSA-N 1 2 241.331 1.341 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000250783816 135058883 /nfs/dbraw/zinc/05/88/83/135058883.db2.gz TZOZUVYBAMQTBO-URLYPYJESA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000250783816 135058886 /nfs/dbraw/zinc/05/88/86/135058886.db2.gz TZOZUVYBAMQTBO-URLYPYJESA-N 1 2 219.288 1.462 20 0 BDADLO COCC[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000077408864 135066190 /nfs/dbraw/zinc/06/61/90/135066190.db2.gz SGDCPKCLSHEFQH-UHFFFAOYSA-N 1 2 246.314 1.290 20 0 BDADLO COCC[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000077408864 135066191 /nfs/dbraw/zinc/06/61/91/135066191.db2.gz SGDCPKCLSHEFQH-UHFFFAOYSA-N 1 2 246.314 1.290 20 0 BDADLO CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000078288590 135118446 /nfs/dbraw/zinc/11/84/46/135118446.db2.gz BWHKPMDEQOUDFE-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000253601538 135127664 /nfs/dbraw/zinc/12/76/64/135127664.db2.gz SYXAVTLXIVJRJT-VHSXEESVSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000253601538 135127666 /nfs/dbraw/zinc/12/76/66/135127666.db2.gz SYXAVTLXIVJRJT-VHSXEESVSA-N 1 2 228.336 1.010 20 0 BDADLO CCCCN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000078544533 135129063 /nfs/dbraw/zinc/12/90/63/135129063.db2.gz IFYFLFREHGLVID-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000078544533 135129064 /nfs/dbraw/zinc/12/90/64/135129064.db2.gz IFYFLFREHGLVID-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCN(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000257645640 135137183 /nfs/dbraw/zinc/13/71/83/135137183.db2.gz BZVVLGZDSCYVEU-SNVBAGLBSA-N 1 2 228.242 1.443 20 0 BDADLO CCN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000257645639 135137735 /nfs/dbraw/zinc/13/77/35/135137735.db2.gz BZVVLGZDSCYVEU-JTQLQIEISA-N 1 2 228.242 1.443 20 0 BDADLO [NH3+][C@@H](C(=O)N1CCCC1)c1c(F)cccc1F ZINC000257664378 135138457 /nfs/dbraw/zinc/13/84/57/135138457.db2.gz GWZVARNAYNYPGC-LLVKDONJSA-N 1 2 240.253 1.587 20 0 BDADLO COC(=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000260738450 135149387 /nfs/dbraw/zinc/14/93/87/135149387.db2.gz MAELLPDACBULFU-UHFFFAOYSA-N 1 2 234.299 1.861 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C1CC1 ZINC000267036548 135151259 /nfs/dbraw/zinc/15/12/59/135151259.db2.gz GJKFKYQRTJTAQX-NXEZZACHSA-N 1 2 221.304 1.434 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC000084081709 135182190 /nfs/dbraw/zinc/18/21/90/135182190.db2.gz IREIKDXYPVNPGV-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC000084081709 135182191 /nfs/dbraw/zinc/18/21/91/135182191.db2.gz IREIKDXYPVNPGV-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO Cc1occc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081644 135182399 /nfs/dbraw/zinc/18/23/99/135182399.db2.gz RCLSDHMSVLHYME-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cc1occc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081644 135182400 /nfs/dbraw/zinc/18/24/00/135182400.db2.gz RCLSDHMSVLHYME-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cn1c[nH+]cc1CN1CCNc2ccccc21 ZINC000261560198 135201402 /nfs/dbraw/zinc/20/14/02/135201402.db2.gz ULTILNQURODOTJ-UHFFFAOYSA-N 1 2 228.299 1.852 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000300026917 135207373 /nfs/dbraw/zinc/20/73/73/135207373.db2.gz XQTDZRNLOCFHOW-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000300026917 135207374 /nfs/dbraw/zinc/20/73/74/135207374.db2.gz XQTDZRNLOCFHOW-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1cc(N2CC(C)(O)C2)nc(C(C)C)[nH+]1 ZINC000084354781 135211987 /nfs/dbraw/zinc/21/19/87/135211987.db2.gz DTRPUOAIVAYYMH-UHFFFAOYSA-N 1 2 221.304 1.479 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)nc1 ZINC000342415392 135266874 /nfs/dbraw/zinc/26/68/74/135266874.db2.gz ONKXAQABHUXEKJ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)nc1 ZINC000342415392 135266875 /nfs/dbraw/zinc/26/68/75/135266875.db2.gz ONKXAQABHUXEKJ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC(C)C ZINC000342403967 135271935 /nfs/dbraw/zinc/27/19/35/135271935.db2.gz GFRYLLLQWIIUEV-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC(C)C ZINC000342403967 135271936 /nfs/dbraw/zinc/27/19/36/135271936.db2.gz GFRYLLLQWIIUEV-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CCCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000079254912 135295430 /nfs/dbraw/zinc/29/54/30/135295430.db2.gz JMVFIXGVKPRDQU-UHFFFAOYSA-N 1 2 224.308 1.325 20 0 BDADLO CCCC1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262738675 135316263 /nfs/dbraw/zinc/31/62/63/135316263.db2.gz CKQXQKSGUWKQLL-VIFPVBQESA-N 1 2 246.301 1.680 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H](C)[C@@H]2C)n1C ZINC000342795002 135319532 /nfs/dbraw/zinc/31/95/32/135319532.db2.gz VIMVQUUAGNXSNX-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@H](C)O ZINC000342799144 135321162 /nfs/dbraw/zinc/32/11/62/135321162.db2.gz HNZZYXGMMSUDBE-GARJFASQSA-N 1 2 245.363 1.713 20 0 BDADLO Cc1c[nH+]c(CN(C)CCn2cccn2)n1C ZINC000342801543 135322186 /nfs/dbraw/zinc/32/21/86/135322186.db2.gz XOCQYNQRTLYTSW-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO Cc1cnc(C[N@H+](C)CCn2cccn2)n1C ZINC000342801543 135322187 /nfs/dbraw/zinc/32/21/87/135322187.db2.gz XOCQYNQRTLYTSW-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCn2cccn2)n1C ZINC000342801543 135322189 /nfs/dbraw/zinc/32/21/89/135322189.db2.gz XOCQYNQRTLYTSW-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263006754 135326233 /nfs/dbraw/zinc/32/62/33/135326233.db2.gz PJFSMUCBIAUPIV-KXUCPTDWSA-N 1 2 246.301 1.488 20 0 BDADLO CC[N@@H+](Cc1ncc(C)n1C)C[C@@H]1CCCO1 ZINC000342776389 135327503 /nfs/dbraw/zinc/32/75/03/135327503.db2.gz GVTFIBNTGNTSMU-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO CC[N@H+](Cc1ncc(C)n1C)C[C@@H]1CCCO1 ZINC000342776389 135327505 /nfs/dbraw/zinc/32/75/05/135327505.db2.gz GVTFIBNTGNTSMU-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO CCN(Cc1[nH+]cc(C)n1C)C[C@@H]1CCCO1 ZINC000342776389 135327506 /nfs/dbraw/zinc/32/75/06/135327506.db2.gz GVTFIBNTGNTSMU-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263103681 135332388 /nfs/dbraw/zinc/33/23/88/135332388.db2.gz ZQBMNZKSWWIACC-BBBLOLIVSA-N 1 2 246.301 1.679 20 0 BDADLO CCCN(CCC)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263106935 135333760 /nfs/dbraw/zinc/33/37/60/135333760.db2.gz ZYVXZCKIIFKKHZ-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1(C(F)(F)F)CC1 ZINC000342943826 135337949 /nfs/dbraw/zinc/33/79/49/135337949.db2.gz RESVPSAAVJCKFB-UHFFFAOYSA-N 1 2 247.220 1.342 20 0 BDADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000334294709 135341493 /nfs/dbraw/zinc/34/14/93/135341493.db2.gz UQCJZPDKFRXLJB-VIFPVBQESA-N 1 2 249.236 1.299 20 0 BDADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000334294709 135341494 /nfs/dbraw/zinc/34/14/94/135341494.db2.gz UQCJZPDKFRXLJB-VIFPVBQESA-N 1 2 249.236 1.299 20 0 BDADLO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1nccn1C ZINC000334295019 135342321 /nfs/dbraw/zinc/34/23/21/135342321.db2.gz VJDMCTJMCPNXPR-ONGXEEELSA-N 1 2 245.330 1.351 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000366795059 135345467 /nfs/dbraw/zinc/34/54/67/135345467.db2.gz CSBUUWNSKNDKLN-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000366795059 135345468 /nfs/dbraw/zinc/34/54/68/135345468.db2.gz CSBUUWNSKNDKLN-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](F)C1 ZINC000343064921 135355252 /nfs/dbraw/zinc/35/52/52/135355252.db2.gz JOAQLSCLJXEMLP-MRVPVSSYSA-N 1 2 235.266 1.302 20 0 BDADLO CCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000334344277 135365373 /nfs/dbraw/zinc/36/53/73/135365373.db2.gz SHQZEQHBLZYHRS-GFCCVEGCSA-N 1 2 233.315 1.355 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1O ZINC000080586630 135382054 /nfs/dbraw/zinc/38/20/54/135382054.db2.gz HAFPMDBVLJCBTJ-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO COc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080589370 135383184 /nfs/dbraw/zinc/38/31/84/135383184.db2.gz IQEXUKZBKKMINA-UHFFFAOYSA-N 1 2 246.270 1.740 20 0 BDADLO Cc1ccc(F)cc1C(=O)NCc1[nH+]ccn1C ZINC000334391742 135386045 /nfs/dbraw/zinc/38/60/45/135386045.db2.gz VVSULCIJHHTOHG-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO CCOC(=O)C1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000081365423 135386737 /nfs/dbraw/zinc/38/67/37/135386737.db2.gz COTXMUFUYUOJKJ-UHFFFAOYSA-N 1 2 248.282 1.672 20 0 BDADLO Cn1c2ccccc2nc1C[N@@H+]1CCCOCC1 ZINC000334395290 135387372 /nfs/dbraw/zinc/38/73/72/135387372.db2.gz BOJDOMAAQFHXTA-UHFFFAOYSA-N 1 2 245.326 1.796 20 0 BDADLO Cn1c2ccccc2nc1C[N@H+]1CCCOCC1 ZINC000334395290 135387373 /nfs/dbraw/zinc/38/73/73/135387373.db2.gz BOJDOMAAQFHXTA-UHFFFAOYSA-N 1 2 245.326 1.796 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccc(F)cc3n2C)CCO1 ZINC000334398501 135388000 /nfs/dbraw/zinc/38/80/00/135388000.db2.gz LZGISHJXDVYFBS-SECBINFHSA-N 1 2 249.289 1.938 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]2(C)CCO[C@H]2C)c[nH+]1 ZINC000334397418 135389145 /nfs/dbraw/zinc/38/91/45/135389145.db2.gz CHZTTZHRRWRZOH-WRWORJQWSA-N 1 2 223.276 1.015 20 0 BDADLO O=C1CC[C@@H](Nc2cccc[nH+]2)[C@@H](C2CC2)N1 ZINC000334409743 135391497 /nfs/dbraw/zinc/39/14/97/135391497.db2.gz JDCDYHNAQUGWSW-ZWNOBZJWSA-N 1 2 231.299 1.551 20 0 BDADLO C[C@@H]1COCC[N@H+](CC(=O)c2cccn2C)C1 ZINC000334165136 135398337 /nfs/dbraw/zinc/39/83/37/135398337.db2.gz ACRVHUGGFNNTMB-NSHDSACASA-N 1 2 236.315 1.176 20 0 BDADLO C[C@@H]1COCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000334165136 135398338 /nfs/dbraw/zinc/39/83/38/135398338.db2.gz ACRVHUGGFNNTMB-NSHDSACASA-N 1 2 236.315 1.176 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000334427328 135398435 /nfs/dbraw/zinc/39/84/35/135398435.db2.gz HDYSCMHDMGEIRL-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)n1 ZINC000334427328 135398436 /nfs/dbraw/zinc/39/84/36/135398436.db2.gz HDYSCMHDMGEIRL-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO CC(C)[C@@H]([NH2+]CC(F)(F)CO)c1cccnc1 ZINC000344123377 135744649 /nfs/dbraw/zinc/74/46/49/135744649.db2.gz ZDERBIVTFHAVHA-LLVKDONJSA-N 1 2 244.285 1.996 20 0 BDADLO CC(=O)c1ccc(C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000334781665 135811469 /nfs/dbraw/zinc/81/14/69/135811469.db2.gz QMBGVIMSQBAFQI-UHFFFAOYSA-N 1 2 244.250 1.860 20 0 BDADLO FC1CN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000346337648 135919851 /nfs/dbraw/zinc/91/98/51/135919851.db2.gz UPBVXYYUQIIMFG-UHFFFAOYSA-N 1 2 237.200 1.599 20 0 BDADLO COC1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347726071 136004168 /nfs/dbraw/zinc/00/41/68/136004168.db2.gz RNHZGEWBFAEVNJ-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2ncc[nH]2)ccn1 ZINC000347690914 136005464 /nfs/dbraw/zinc/00/54/64/136005464.db2.gz WKIMOSGKLSGZDO-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000347696069 136006520 /nfs/dbraw/zinc/00/65/20/136006520.db2.gz ZKURNFRGXQCASQ-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000347696069 136006521 /nfs/dbraw/zinc/00/65/21/136006521.db2.gz ZKURNFRGXQCASQ-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO CCn1cc(CCOCc2[nH]cc[nH+]2)cn1 ZINC000347904721 136015678 /nfs/dbraw/zinc/01/56/78/136015678.db2.gz OQCWNJXLDAAKDP-UHFFFAOYSA-N 1 2 220.276 1.385 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@@H]1C ZINC000335316998 136025145 /nfs/dbraw/zinc/02/51/45/136025145.db2.gz UZGJARZKGKVGSK-WCBMZHEXSA-N 1 2 219.288 1.732 20 0 BDADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)oc1C ZINC000335307138 136026798 /nfs/dbraw/zinc/02/67/98/136026798.db2.gz PGJMKTSJUUIUAX-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCCOCC1 ZINC000335307745 136027125 /nfs/dbraw/zinc/02/71/25/136027125.db2.gz ZXHVTAKNXDUJHO-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO CCn1ccnc1C[N@H+]1CCCOCC1 ZINC000335307745 136027126 /nfs/dbraw/zinc/02/71/26/136027126.db2.gz ZXHVTAKNXDUJHO-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(CO)cc2)n1 ZINC000348099866 136036158 /nfs/dbraw/zinc/03/61/58/136036158.db2.gz XAJJAWKBAHMNHS-VIFPVBQESA-N 1 2 247.298 1.721 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cnccc2C)n1 ZINC000348106143 136036489 /nfs/dbraw/zinc/03/64/89/136036489.db2.gz FKVVWKDBDBPURV-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC000335337222 136044741 /nfs/dbraw/zinc/04/47/41/136044741.db2.gz OSMUUJCBQGGKIJ-NSHDSACASA-N 1 2 244.338 1.978 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC000335337222 136044742 /nfs/dbraw/zinc/04/47/42/136044742.db2.gz OSMUUJCBQGGKIJ-NSHDSACASA-N 1 2 244.338 1.978 20 0 BDADLO OC[C@H]1CC[C@H](CNc2cccc[nH+]2)O1 ZINC000348213712 136046094 /nfs/dbraw/zinc/04/60/94/136046094.db2.gz ADNKAJGKRJJMDX-NXEZZACHSA-N 1 2 208.261 1.033 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000348223322 136047808 /nfs/dbraw/zinc/04/78/08/136047808.db2.gz GDBMHUVABLKSFJ-BXUZGUMPSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000348223322 136047809 /nfs/dbraw/zinc/04/78/09/136047809.db2.gz GDBMHUVABLKSFJ-BXUZGUMPSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000348190261 136048666 /nfs/dbraw/zinc/04/86/66/136048666.db2.gz URSKKLMQVJUOIS-YUMQZZPRSA-N 1 2 201.220 1.461 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H]1C(F)F ZINC000348190260 136048833 /nfs/dbraw/zinc/04/88/33/136048833.db2.gz URSKKLMQVJUOIS-SFYZADRCSA-N 1 2 201.220 1.461 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1conc1C1CC1 ZINC000335327621 136052772 /nfs/dbraw/zinc/05/27/72/136052772.db2.gz XCYXBSJMBWFPHT-UHFFFAOYSA-N 1 2 243.266 1.930 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3cccc(F)c3n2C)CCO1 ZINC000335330641 136053511 /nfs/dbraw/zinc/05/35/11/136053511.db2.gz CFNOOWGBBKBSJD-SECBINFHSA-N 1 2 249.289 1.938 20 0 BDADLO CC[C@H]([NH2+][C@H](C(=O)OC)C1CC1)[C@H]1CCCO1 ZINC000348281313 136059598 /nfs/dbraw/zinc/05/95/98/136059598.db2.gz MLDRBXYWNVORPF-TUAOUCFPSA-N 1 2 241.331 1.485 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000348231553 136060887 /nfs/dbraw/zinc/06/08/87/136060887.db2.gz OSNIEHRZNXJIMR-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000348231553 136060888 /nfs/dbraw/zinc/06/08/88/136060888.db2.gz OSNIEHRZNXJIMR-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cccn1C ZINC000348422026 136078051 /nfs/dbraw/zinc/07/80/51/136078051.db2.gz RQGUPYPBOJWIER-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000335383608 136088190 /nfs/dbraw/zinc/08/81/90/136088190.db2.gz DZIDXRFVKCKLFI-ONGXEEELSA-N 1 2 249.314 1.047 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(C(N)=O)C2)no1 ZINC000335389064 136090163 /nfs/dbraw/zinc/09/01/63/136090163.db2.gz NFPUULWBDHFPII-UHFFFAOYSA-N 1 2 209.249 1.340 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H]2CO[C@H](C)C2)c(C)[nH+]1 ZINC000335391547 136090880 /nfs/dbraw/zinc/09/08/80/136090880.db2.gz YORPYBQUQFUWKZ-KOLCDFICSA-N 1 2 249.314 1.997 20 0 BDADLO c1ccc(N2CCO[C@]3(CCSC3)C2)[nH+]c1 ZINC000335390957 136090967 /nfs/dbraw/zinc/09/09/67/136090967.db2.gz TYOYBQLYYMHCGI-GFCCVEGCSA-N 1 2 236.340 1.794 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)CC[C@H]1O ZINC000335395733 136092555 /nfs/dbraw/zinc/09/25/55/136092555.db2.gz PMGIVQBHLXEHSR-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)CC[C@H]1O ZINC000335395733 136092556 /nfs/dbraw/zinc/09/25/56/136092556.db2.gz PMGIVQBHLXEHSR-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000335398879 136093278 /nfs/dbraw/zinc/09/32/78/136093278.db2.gz LPUSDYUZPZCRGO-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000335398879 136093279 /nfs/dbraw/zinc/09/32/79/136093279.db2.gz LPUSDYUZPZCRGO-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1nc(N2CC[C@@H](F)C2)c(C)c(C)[nH+]1 ZINC000335401818 136094513 /nfs/dbraw/zinc/09/45/13/136094513.db2.gz VGPGBHOJZLYPHB-SNVBAGLBSA-N 1 2 209.268 1.950 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000335556337 136099494 /nfs/dbraw/zinc/09/94/94/136099494.db2.gz BFOJYISTQDKWDF-LLVKDONJSA-N 1 2 235.331 1.702 20 0 BDADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Cl)CCCO1 ZINC000335561239 136106260 /nfs/dbraw/zinc/10/62/60/136106260.db2.gz XTZAXYFFDXITRB-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)CCCO1 ZINC000335561239 136106261 /nfs/dbraw/zinc/10/62/61/136106261.db2.gz XTZAXYFFDXITRB-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO O=C(CCC1CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367047016 136112199 /nfs/dbraw/zinc/11/21/99/136112199.db2.gz ZYPJPMOBIKXNLA-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO O=C(CCC1CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367047016 136112200 /nfs/dbraw/zinc/11/22/00/136112200.db2.gz ZYPJPMOBIKXNLA-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@H]2C[C@@H](O)C2)c[nH+]1 ZINC000335580642 136112787 /nfs/dbraw/zinc/11/27/87/136112787.db2.gz PJAHLKUEWKQZTC-TXEJJXNPSA-N 1 2 249.314 1.021 20 0 BDADLO Cc1n[nH]cc1CNc1cc[nH+]cc1F ZINC000335600004 136114234 /nfs/dbraw/zinc/11/42/34/136114234.db2.gz OKQWEZHDDWPQGF-UHFFFAOYSA-N 1 2 206.224 1.286 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)C[C@@H]2CO)[nH+]c1C ZINC000628244050 397732591 /nfs/dbraw/zinc/73/25/91/397732591.db2.gz QNJUHIZDPBSSOZ-SECBINFHSA-N 1 2 245.273 1.228 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+](C)CC1CC1 ZINC000156231787 397755657 /nfs/dbraw/zinc/75/56/57/397755657.db2.gz OOJPIJNMHCDCEN-LBPRGKRZSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)CC1CC1 ZINC000156231787 397755659 /nfs/dbraw/zinc/75/56/59/397755659.db2.gz OOJPIJNMHCDCEN-LBPRGKRZSA-N 1 2 234.299 1.638 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1sccc1F ZINC000334182736 397766271 /nfs/dbraw/zinc/76/62/71/397766271.db2.gz CFGKGIMDBKWEIN-UHFFFAOYSA-N 1 2 239.275 1.883 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000177023015 397840129 /nfs/dbraw/zinc/84/01/29/397840129.db2.gz MLCPTDMGBPIUPN-LBPRGKRZSA-N 1 2 237.274 1.918 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000177023015 397840132 /nfs/dbraw/zinc/84/01/32/397840132.db2.gz MLCPTDMGBPIUPN-LBPRGKRZSA-N 1 2 237.274 1.918 20 0 BDADLO CCc1cc(NC[C@H](OC)C2CC2)nc[nH+]1 ZINC000382317539 397934778 /nfs/dbraw/zinc/93/47/78/397934778.db2.gz RZTFQPYGKVCFMH-NSHDSACASA-N 1 2 221.304 1.298 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000414564165 397965819 /nfs/dbraw/zinc/96/58/19/397965819.db2.gz CLJHZDJJGQQHPF-GXFFZTMASA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)o1 ZINC000414564165 397965821 /nfs/dbraw/zinc/96/58/21/397965821.db2.gz CLJHZDJJGQQHPF-GXFFZTMASA-N 1 2 239.315 1.424 20 0 BDADLO COC[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(C)o1 ZINC000266967467 397941345 /nfs/dbraw/zinc/94/13/45/397941345.db2.gz MUNVSXPGLQLFRF-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO C[C@H](CC(=O)Nc1cnccn1)n1cc[nH+]c1 ZINC000649558472 397950741 /nfs/dbraw/zinc/95/07/41/397950741.db2.gz OQELEUQGNLIXCF-SECBINFHSA-N 1 2 231.259 1.263 20 0 BDADLO CC(=O)CN(CC(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493552218 397957707 /nfs/dbraw/zinc/95/77/07/397957707.db2.gz JKGRFBMUFZVSGP-PLNGDYQASA-N 1 2 249.314 1.497 20 0 BDADLO c1c(C[N@@H+]2CCOC[C@H]2C2CC2)nn2c1CCC2 ZINC000649571457 397962369 /nfs/dbraw/zinc/96/23/69/397962369.db2.gz KJXFDQPWXQILEC-AWEZNQCLSA-N 1 2 247.342 1.440 20 0 BDADLO c1c(C[N@H+]2CCOC[C@H]2C2CC2)nn2c1CCC2 ZINC000649571457 397962371 /nfs/dbraw/zinc/96/23/71/397962371.db2.gz KJXFDQPWXQILEC-AWEZNQCLSA-N 1 2 247.342 1.440 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1cc2n(n1)CCC2 ZINC000649528130 397919863 /nfs/dbraw/zinc/91/98/63/397919863.db2.gz AVSMUQQJLHSMNK-UHFFFAOYSA-N 1 2 245.330 1.158 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1cc2n(n1)CCC2 ZINC000649528130 397919868 /nfs/dbraw/zinc/91/98/68/397919868.db2.gz AVSMUQQJLHSMNK-UHFFFAOYSA-N 1 2 245.330 1.158 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccco2)[C@H](C)C1 ZINC000271163757 397964328 /nfs/dbraw/zinc/96/43/28/397964328.db2.gz FGIPMSNXJWPHKQ-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccco2)[C@H](C)C1 ZINC000271163757 397964331 /nfs/dbraw/zinc/96/43/31/397964331.db2.gz FGIPMSNXJWPHKQ-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371559793 397995234 /nfs/dbraw/zinc/99/52/34/397995234.db2.gz KWDAGBWHLXCHBR-AXFHLTTASA-N 1 2 249.314 1.498 20 0 BDADLO CCc1cc(NCc2oc(C)nc2C)nc[nH+]1 ZINC000383034673 397996787 /nfs/dbraw/zinc/99/67/87/397996787.db2.gz FFFSFLBZTQDIJI-UHFFFAOYSA-N 1 2 232.287 1.678 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372311352 398000712 /nfs/dbraw/zinc/00/07/12/398000712.db2.gz ZTDUDOHOELFVGF-GFCCVEGCSA-N 1 2 249.358 1.950 20 0 BDADLO C[N@H+](Cc1nnnn1Cc1ccccc1)C1CC1 ZINC000046602426 398003911 /nfs/dbraw/zinc/00/39/11/398003911.db2.gz FTFXYFOADVAGKF-UHFFFAOYSA-N 1 2 243.314 1.316 20 0 BDADLO C[N@@H+](Cc1nnnn1Cc1ccccc1)C1CC1 ZINC000046602426 398003913 /nfs/dbraw/zinc/00/39/13/398003913.db2.gz FTFXYFOADVAGKF-UHFFFAOYSA-N 1 2 243.314 1.316 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CC2CCC1CC2 ZINC000383850668 398045982 /nfs/dbraw/zinc/04/59/82/398045982.db2.gz LYBZAKRREIYSDQ-CBINBANVSA-N 1 2 233.315 1.852 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CC2CCC1CC2 ZINC000383850668 398045983 /nfs/dbraw/zinc/04/59/83/398045983.db2.gz LYBZAKRREIYSDQ-CBINBANVSA-N 1 2 233.315 1.852 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649622154 398006904 /nfs/dbraw/zinc/00/69/04/398006904.db2.gz WLTSDMMZVORZCB-VIFPVBQESA-N 1 2 209.268 1.373 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649622154 398006908 /nfs/dbraw/zinc/00/69/08/398006908.db2.gz WLTSDMMZVORZCB-VIFPVBQESA-N 1 2 209.268 1.373 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CCC12CCCC2 ZINC000649657665 398026090 /nfs/dbraw/zinc/02/60/90/398026090.db2.gz IUCLPGOKIFLBLJ-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CCC12CCCC2 ZINC000649657665 398026091 /nfs/dbraw/zinc/02/60/91/398026091.db2.gz IUCLPGOKIFLBLJ-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO CC1(C)CN(c2cc(CO)cc[nH+]2)CC[C@@H]1O ZINC000383797390 398040354 /nfs/dbraw/zinc/04/03/54/398040354.db2.gz NAWYSOXZYNRZJW-NSHDSACASA-N 1 2 236.315 1.171 20 0 BDADLO O=C1CCCN1CCC[N@H+]1CCCC(F)(F)C1 ZINC000649693007 398041372 /nfs/dbraw/zinc/04/13/72/398041372.db2.gz NKUZZSDILBPETE-UHFFFAOYSA-N 1 2 246.301 1.730 20 0 BDADLO O=C1CCCN1CCC[N@@H+]1CCCC(F)(F)C1 ZINC000649693007 398041375 /nfs/dbraw/zinc/04/13/75/398041375.db2.gz NKUZZSDILBPETE-UHFFFAOYSA-N 1 2 246.301 1.730 20 0 BDADLO CC(C)N1CC[N@@H+]([C@@H](C)c2ccccn2)CC1=O ZINC000272629385 397981428 /nfs/dbraw/zinc/98/14/28/397981428.db2.gz WBQZIVSUYJAQHH-LBPRGKRZSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)N1CC[N@H+]([C@@H](C)c2ccccn2)CC1=O ZINC000272629385 397981430 /nfs/dbraw/zinc/98/14/30/397981430.db2.gz WBQZIVSUYJAQHH-LBPRGKRZSA-N 1 2 247.342 1.695 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]cn2C)[C@H](CC)CO1 ZINC000649720573 398062478 /nfs/dbraw/zinc/06/24/78/398062478.db2.gz LMVNEJDBESWMLF-DGCLKSJQSA-N 1 2 237.347 1.810 20 0 BDADLO Cn1c[nH+]cc1Cn1cnc2ccsc2c1=O ZINC000122207195 398093488 /nfs/dbraw/zinc/09/34/88/398093488.db2.gz QQQMEEAORSFXAH-UHFFFAOYSA-N 1 2 246.295 1.240 20 0 BDADLO Clc1ncccc1C[N@@H+]1CCn2cncc2C1 ZINC000291581913 398096382 /nfs/dbraw/zinc/09/63/82/398096382.db2.gz OYFIHELEUFGFEX-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ncccc1C[N@H+]1CCn2cncc2C1 ZINC000291581913 398096385 /nfs/dbraw/zinc/09/63/85/398096385.db2.gz OYFIHELEUFGFEX-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000649732501 398072543 /nfs/dbraw/zinc/07/25/43/398072543.db2.gz YZDCXXFIFVILTE-CMPLNLGQSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)CO1 ZINC000649732501 398072545 /nfs/dbraw/zinc/07/25/45/398072545.db2.gz YZDCXXFIFVILTE-CMPLNLGQSA-N 1 2 240.347 1.107 20 0 BDADLO CCCCN(CC)C(=O)NCc1c[nH+]cn1C ZINC000291897025 398075846 /nfs/dbraw/zinc/07/58/46/398075846.db2.gz MEVGOYLUWZGMOJ-UHFFFAOYSA-N 1 2 238.335 1.752 20 0 BDADLO CC[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000618872248 398076138 /nfs/dbraw/zinc/07/61/38/398076138.db2.gz UHJBBJUDLILBFF-GFCCVEGCSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000649739544 398079546 /nfs/dbraw/zinc/07/95/46/398079546.db2.gz DQHNIIBXLIZXML-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000649739544 398079548 /nfs/dbraw/zinc/07/95/48/398079548.db2.gz DQHNIIBXLIZXML-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000186976832 398081188 /nfs/dbraw/zinc/08/11/88/398081188.db2.gz XUMSMSAHJVXPKS-GFCCVEGCSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000186976832 398081192 /nfs/dbraw/zinc/08/11/92/398081192.db2.gz XUMSMSAHJVXPKS-GFCCVEGCSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2nnnn2C)cc1 ZINC000188661256 398082754 /nfs/dbraw/zinc/08/27/54/398082754.db2.gz LSSKCHFDWKCUAG-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H](C)c2nnnn2C)cc1 ZINC000188661256 398082756 /nfs/dbraw/zinc/08/27/56/398082756.db2.gz LSSKCHFDWKCUAG-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2COc3ccccc32)[nH]n1 ZINC000288682534 398084415 /nfs/dbraw/zinc/08/44/15/398084415.db2.gz XFWXHFBGMXAIOQ-SNVBAGLBSA-N 1 2 229.283 1.676 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C)[C@@H]1CCCOC1 ZINC000649758197 398088344 /nfs/dbraw/zinc/08/83/44/398088344.db2.gz IYLKXCKCOJQPEL-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C)[C@@H]1CCCOC1 ZINC000649758197 398088345 /nfs/dbraw/zinc/08/83/45/398088345.db2.gz IYLKXCKCOJQPEL-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644838912 398091800 /nfs/dbraw/zinc/09/18/00/398091800.db2.gz XVIDJLTZNSVGAG-NEPJUHHUSA-N 1 2 205.257 1.365 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644838912 398091805 /nfs/dbraw/zinc/09/18/05/398091805.db2.gz XVIDJLTZNSVGAG-NEPJUHHUSA-N 1 2 205.257 1.365 20 0 BDADLO Cc1cccc(C[NH2+]Cc2nc(N(C)C)no2)c1 ZINC000186415641 398053782 /nfs/dbraw/zinc/05/37/82/398053782.db2.gz XSOUYOVKRULVSO-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000521976954 398104445 /nfs/dbraw/zinc/10/44/45/398104445.db2.gz XYGGHCVPKJCSHN-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO CCc1csc(NCC[NH+]2CCOCC2)n1 ZINC000061894355 398109161 /nfs/dbraw/zinc/10/91/61/398109161.db2.gz SURSEVGFAKDTFG-UHFFFAOYSA-N 1 2 241.360 1.450 20 0 BDADLO CCc1noc(C[N@H+](C)CC(C)(C)CO)n1 ZINC000649801822 398108046 /nfs/dbraw/zinc/10/80/46/398108046.db2.gz ZCLZGQADQZAYHW-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CCc1noc(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000649801822 398108052 /nfs/dbraw/zinc/10/80/52/398108052.db2.gz ZCLZGQADQZAYHW-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccnc1OC ZINC000193350217 398110941 /nfs/dbraw/zinc/11/09/41/398110941.db2.gz QWIRZHKIAKTQGW-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccnc1OC ZINC000193350217 398110944 /nfs/dbraw/zinc/11/09/44/398110944.db2.gz QWIRZHKIAKTQGW-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000407985033 398126557 /nfs/dbraw/zinc/12/65/57/398126557.db2.gz DIRFCKXAAFMFER-LLVKDONJSA-N 1 2 249.314 1.152 20 0 BDADLO Cc1sccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000295519593 398134436 /nfs/dbraw/zinc/13/44/36/398134436.db2.gz ZVNNJGMHXJARFI-LLVKDONJSA-N 1 2 227.329 1.250 20 0 BDADLO Cc1sccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000295519593 398134440 /nfs/dbraw/zinc/13/44/40/398134440.db2.gz ZVNNJGMHXJARFI-LLVKDONJSA-N 1 2 227.329 1.250 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000168856950 167048865 /nfs/dbraw/zinc/04/88/65/167048865.db2.gz MMSORFJGRFNSSM-UHFFFAOYSA-N 1 2 236.315 1.349 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000168856950 167048867 /nfs/dbraw/zinc/04/88/67/167048867.db2.gz MMSORFJGRFNSSM-UHFFFAOYSA-N 1 2 236.315 1.349 20 0 BDADLO Cc1nc(N)c(CNC(=O)C[C@@H]2C=CCC2)c[nH+]1 ZINC000552183257 322867013 /nfs/dbraw/zinc/86/70/13/322867013.db2.gz MNLPMUNZLPOBIY-SNVBAGLBSA-N 1 2 246.314 1.170 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000685583975 487559504 /nfs/dbraw/zinc/55/95/04/487559504.db2.gz FXDBCDGSYSPSJA-NSHDSACASA-N 1 2 228.267 1.198 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000685583975 487559506 /nfs/dbraw/zinc/55/95/06/487559506.db2.gz FXDBCDGSYSPSJA-NSHDSACASA-N 1 2 228.267 1.198 20 0 BDADLO C[C@@H](NC(=O)CCOCC(F)F)c1[nH]cc[nH+]1 ZINC000232336141 487559576 /nfs/dbraw/zinc/55/95/76/487559576.db2.gz MADPNJMEYDNNPR-SSDOTTSWSA-N 1 2 247.245 1.259 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)ncn2)no1 ZINC000685651249 487570633 /nfs/dbraw/zinc/57/06/33/487570633.db2.gz TYHSLHOKQCLUPV-SNVBAGLBSA-N 1 2 232.287 1.932 20 0 BDADLO O=C(c1ccco1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785486 487574791 /nfs/dbraw/zinc/57/47/91/487574791.db2.gz DOGLZRMEFWBONQ-UHFFFAOYSA-N 1 2 217.228 1.201 20 0 BDADLO O=C(c1ccco1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785486 487574795 /nfs/dbraw/zinc/57/47/95/487574795.db2.gz DOGLZRMEFWBONQ-UHFFFAOYSA-N 1 2 217.228 1.201 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000074785499 487574933 /nfs/dbraw/zinc/57/49/33/487574933.db2.gz SAXYXXDDRPEUPY-UHFFFAOYSA-N 1 2 241.294 1.917 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000074785499 487574941 /nfs/dbraw/zinc/57/49/41/487574941.db2.gz SAXYXXDDRPEUPY-UHFFFAOYSA-N 1 2 241.294 1.917 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)CCOC(C)(C)C ZINC000685839478 487585385 /nfs/dbraw/zinc/58/53/85/487585385.db2.gz OJLBNBPITFGEIG-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)CCOC(C)(C)C ZINC000685839478 487585389 /nfs/dbraw/zinc/58/53/89/487585389.db2.gz OJLBNBPITFGEIG-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)CCOC(C)(C)C ZINC000685839478 487585395 /nfs/dbraw/zinc/58/53/95/487585395.db2.gz OJLBNBPITFGEIG-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)CCOC(C)(C)C ZINC000685839478 487585400 /nfs/dbraw/zinc/58/54/00/487585400.db2.gz OJLBNBPITFGEIG-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC(F)F ZINC000674500985 487588954 /nfs/dbraw/zinc/58/89/54/487588954.db2.gz FOJQKQZCLAMZCI-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO Cc1nccnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685907383 487593944 /nfs/dbraw/zinc/59/39/44/487593944.db2.gz WWLJQRFANDETIE-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC(C1CC1)C1CC1 ZINC000530286399 487594925 /nfs/dbraw/zinc/59/49/25/487594925.db2.gz HDMKPHBBGAIGRD-UHFFFAOYSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC(C1CC1)C1CC1 ZINC000530286399 487594928 /nfs/dbraw/zinc/59/49/28/487594928.db2.gz HDMKPHBBGAIGRD-UHFFFAOYSA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)SCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000338314321 167325141 /nfs/dbraw/zinc/32/51/41/167325141.db2.gz KJIGJFRQBWUMQU-QMTHXVAHSA-N 1 2 235.418 1.581 20 0 BDADLO CC(C)SCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000338314321 167325143 /nfs/dbraw/zinc/32/51/43/167325143.db2.gz KJIGJFRQBWUMQU-QMTHXVAHSA-N 1 2 235.418 1.581 20 0 BDADLO CCOCC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662368630 409676567 /nfs/dbraw/zinc/67/65/67/409676567.db2.gz DXEKRKYJARHPCS-JTQLQIEISA-N 1 2 223.263 1.379 20 0 BDADLO CCOCC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662368630 409676574 /nfs/dbraw/zinc/67/65/74/409676574.db2.gz DXEKRKYJARHPCS-JTQLQIEISA-N 1 2 223.263 1.379 20 0 BDADLO CCC(=O)N1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000660862430 409882180 /nfs/dbraw/zinc/88/21/80/409882180.db2.gz QFLRTXMYCOVJIZ-SNVBAGLBSA-N 1 2 226.320 1.066 20 0 BDADLO CCC(=O)N1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000660862430 409882190 /nfs/dbraw/zinc/88/21/90/409882190.db2.gz QFLRTXMYCOVJIZ-SNVBAGLBSA-N 1 2 226.320 1.066 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@H]2COC(C)(C)C2)n1 ZINC000660926050 409974340 /nfs/dbraw/zinc/97/43/40/409974340.db2.gz KPJIXWAXJSOXIX-SECBINFHSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C)[C@H]2COC(C)(C)C2)n1 ZINC000660926050 409974344 /nfs/dbraw/zinc/97/43/44/409974344.db2.gz KPJIXWAXJSOXIX-SECBINFHSA-N 1 2 225.292 1.377 20 0 BDADLO CCNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663315884 410109616 /nfs/dbraw/zinc/10/96/16/410109616.db2.gz PKJQLRFVLCKRAH-UHFFFAOYSA-N 1 2 234.307 1.595 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N2CC=CCC2)c2[nH+]ccn21 ZINC000653175710 410152406 /nfs/dbraw/zinc/15/24/06/410152406.db2.gz UOEQUOVOHABPRL-MNOVXSKESA-N 1 2 246.314 1.860 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000655401868 410205193 /nfs/dbraw/zinc/20/51/93/410205193.db2.gz QLABPVCYBNKUQG-DTWKUNHWSA-N 1 2 247.302 1.124 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)[nH]1 ZINC000655401916 410206444 /nfs/dbraw/zinc/20/64/44/410206444.db2.gz YNZRXIGASXSJRQ-SECBINFHSA-N 1 2 232.287 1.846 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661176274 410321733 /nfs/dbraw/zinc/32/17/33/410321733.db2.gz CVPNTKAIPJWYQO-SCZZXKLOSA-N 1 2 222.292 1.350 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661176274 410321740 /nfs/dbraw/zinc/32/17/40/410321740.db2.gz CVPNTKAIPJWYQO-SCZZXKLOSA-N 1 2 222.292 1.350 20 0 BDADLO Cc1cn2ccc(C(=O)NC(C)(C)CO)cc2[nH+]1 ZINC000071540828 410416945 /nfs/dbraw/zinc/41/69/45/410416945.db2.gz JYBMFBOZQPCKOK-UHFFFAOYSA-N 1 2 247.298 1.143 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]1C(F)F ZINC000663947592 410397480 /nfs/dbraw/zinc/39/74/80/410397480.db2.gz QIXQVSHZEODRQI-SSDOTTSWSA-N 1 2 239.229 1.207 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)c1ccco1 ZINC000650789223 410435065 /nfs/dbraw/zinc/43/50/65/410435065.db2.gz KVOTYEWNSSZTQL-SNVBAGLBSA-N 1 2 247.298 1.916 20 0 BDADLO CN1C[C@@H](CNc2cc[nH+]c(C3CC3)n2)CC1=O ZINC000664459913 410586955 /nfs/dbraw/zinc/58/69/55/410586955.db2.gz DGQVDIGNWPVNGX-SECBINFHSA-N 1 2 246.314 1.244 20 0 BDADLO CC(=O)c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000180391221 166465614 /nfs/dbraw/zinc/46/56/14/166465614.db2.gz BBBXVBARTWWLPV-UHFFFAOYSA-N 1 2 244.298 1.983 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2C[C@H](O)C2)cc[nH+]1 ZINC000664643112 410614151 /nfs/dbraw/zinc/61/41/51/410614151.db2.gz QANDJMUXIJBUKO-KYZUINATSA-N 1 2 221.304 1.709 20 0 BDADLO Nc1nc(N[C@H]2C[C@H](O)C2)[nH+]c2ccccc12 ZINC000664642902 410614311 /nfs/dbraw/zinc/61/43/11/410614311.db2.gz HSANRBUUYSUYAO-ZKCHVHJHSA-N 1 2 230.271 1.147 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661414700 410624671 /nfs/dbraw/zinc/62/46/71/410624671.db2.gz UWOCYYWSXVLVSW-IUCAKERBSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661414700 410624674 /nfs/dbraw/zinc/62/46/74/410624674.db2.gz UWOCYYWSXVLVSW-IUCAKERBSA-N 1 2 237.290 1.095 20 0 BDADLO CC[C@@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000661413814 410625096 /nfs/dbraw/zinc/62/50/96/410625096.db2.gz PKDHAVLYWGVJGU-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000661413814 410625100 /nfs/dbraw/zinc/62/51/00/410625100.db2.gz PKDHAVLYWGVJGU-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1N)c1cscn1 ZINC000661415580 410629789 /nfs/dbraw/zinc/62/97/89/410629789.db2.gz TWLLSKLTCVLPOA-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000661528748 410726960 /nfs/dbraw/zinc/72/69/60/410726960.db2.gz JHMDPDHVPVAXMH-VIFPVBQESA-N 1 2 213.281 1.235 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000661528748 410726966 /nfs/dbraw/zinc/72/69/66/410726966.db2.gz JHMDPDHVPVAXMH-VIFPVBQESA-N 1 2 213.281 1.235 20 0 BDADLO CC[C@@H](CO)[N@H+](C)CC(=O)c1ccccc1F ZINC000393971578 410769633 /nfs/dbraw/zinc/76/96/33/410769633.db2.gz QLSUHLPVPNIBCY-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)CC(=O)c1ccccc1F ZINC000393971578 410769636 /nfs/dbraw/zinc/76/96/36/410769636.db2.gz QLSUHLPVPNIBCY-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO CCc1nc(C)c(CNc2cc(CC)[nH+]cn2)o1 ZINC000394152487 410779316 /nfs/dbraw/zinc/77/93/16/410779316.db2.gz MEIQGKPJYNVRGT-UHFFFAOYSA-N 1 2 246.314 1.932 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651105488 410812605 /nfs/dbraw/zinc/81/26/05/410812605.db2.gz ZODBEPHMOFGVCI-MNOVXSKESA-N 1 2 247.342 1.534 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)NC2CC=CC2)c2[nH+]ccn21 ZINC000651138238 410831198 /nfs/dbraw/zinc/83/11/98/410831198.db2.gz BHSLGIDMNKESCH-GXSJLCMTSA-N 1 2 246.314 1.907 20 0 BDADLO C[C@H](CC(=O)Nc1ccc[nH]c1=O)n1cc[nH+]c1 ZINC000651205270 410862754 /nfs/dbraw/zinc/86/27/54/410862754.db2.gz GJLOZDNFVUGQEL-SECBINFHSA-N 1 2 246.270 1.574 20 0 BDADLO CC(C)NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181322154 167050725 /nfs/dbraw/zinc/05/07/25/167050725.db2.gz MRRCWYCMTNADKP-UHFFFAOYSA-N 1 2 247.342 1.571 20 0 BDADLO CC(C)NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181322154 167050728 /nfs/dbraw/zinc/05/07/28/167050728.db2.gz MRRCWYCMTNADKP-UHFFFAOYSA-N 1 2 247.342 1.571 20 0 BDADLO CC(C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000336360888 167084934 /nfs/dbraw/zinc/08/49/34/167084934.db2.gz QHYNZALDGPZNSQ-UHFFFAOYSA-N 1 2 230.271 1.406 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCn1cccn1 ZINC000177486553 167170676 /nfs/dbraw/zinc/17/06/76/167170676.db2.gz PLWOYKMUQIMOFP-NSHDSACASA-N 1 2 239.319 1.155 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCn1cccn1 ZINC000177486553 167170677 /nfs/dbraw/zinc/17/06/77/167170677.db2.gz PLWOYKMUQIMOFP-NSHDSACASA-N 1 2 239.319 1.155 20 0 BDADLO CC(C)OCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268564913 167189633 /nfs/dbraw/zinc/18/96/33/167189633.db2.gz ZHJCMFWAUDHCQC-UHFFFAOYSA-N 1 2 247.298 1.376 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@@H]1C1CCCC1 ZINC000651310724 410916212 /nfs/dbraw/zinc/91/62/12/410916212.db2.gz VGUSHLFIUVNPJE-MNOVXSKESA-N 1 2 233.315 1.852 20 0 BDADLO CC(C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000299621427 167373682 /nfs/dbraw/zinc/37/36/82/167373682.db2.gz IXZJZGPPVIWSLM-SNVBAGLBSA-N 1 2 209.293 1.434 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651364982 410955738 /nfs/dbraw/zinc/95/57/38/410955738.db2.gz QZRPATMXWVCXFO-VXGBXAGGSA-N 1 2 233.315 1.852 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651364982 410955745 /nfs/dbraw/zinc/95/57/45/410955745.db2.gz QZRPATMXWVCXFO-VXGBXAGGSA-N 1 2 233.315 1.852 20 0 BDADLO Cc1nc(N2CCC23CCCC3)nc(N(C)C)[nH+]1 ZINC000651373320 410957563 /nfs/dbraw/zinc/95/75/63/410957563.db2.gz GMDYWGRDYAYPLV-UHFFFAOYSA-N 1 2 247.346 1.769 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC23CCCC3)[nH+]1 ZINC000651373320 410957570 /nfs/dbraw/zinc/95/75/70/410957570.db2.gz GMDYWGRDYAYPLV-UHFFFAOYSA-N 1 2 247.346 1.769 20 0 BDADLO CCc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)no1 ZINC000651376754 410961130 /nfs/dbraw/zinc/96/11/30/410961130.db2.gz QEPTWQNNHSIFKG-SECBINFHSA-N 1 2 248.286 1.445 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000651499442 411073870 /nfs/dbraw/zinc/07/38/70/411073870.db2.gz ZFFHWTDNUGOKAI-ATZCPNFKSA-N 1 2 223.320 1.936 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)[C@H]2CCCOC2)on1 ZINC000653671574 411162827 /nfs/dbraw/zinc/16/28/27/411162827.db2.gz KCZOSTZYXGMNON-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)[C@H]2CCCOC2)on1 ZINC000653671574 411162829 /nfs/dbraw/zinc/16/28/29/411162829.db2.gz KCZOSTZYXGMNON-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO CC1(C[N@@H+]2CCn3c(CC4CC4)nnc3C2)CC1 ZINC000651898714 411149489 /nfs/dbraw/zinc/14/94/89/411149489.db2.gz VBOKVZKPPAXBLI-UHFFFAOYSA-N 1 2 246.358 1.846 20 0 BDADLO CC1(C[N@H+]2CCn3c(CC4CC4)nnc3C2)CC1 ZINC000651898714 411149490 /nfs/dbraw/zinc/14/94/90/411149490.db2.gz VBOKVZKPPAXBLI-UHFFFAOYSA-N 1 2 246.358 1.846 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](CC3CC=CC3)CC2)[nH]1 ZINC000660449102 411157988 /nfs/dbraw/zinc/15/79/88/411157988.db2.gz JLTKQVCLBGWRQP-UHFFFAOYSA-N 1 2 248.330 1.656 20 0 BDADLO C[C@H](CC(=O)NC(C)(C)C(F)F)n1cc[nH+]c1 ZINC000651947871 411159717 /nfs/dbraw/zinc/15/97/17/411159717.db2.gz VMVUEKJZASTCHF-MRVPVSSYSA-N 1 2 245.273 1.994 20 0 BDADLO CC[C@H](CC(F)F)C[N@H+](C)Cc1nnc[nH]1 ZINC000659993786 411159859 /nfs/dbraw/zinc/15/98/59/411159859.db2.gz IYCAAJMTESFBBK-MRVPVSSYSA-N 1 2 232.278 1.918 20 0 BDADLO CC[C@H](CC(F)F)C[N@@H+](C)Cc1nnc[nH]1 ZINC000659993786 411159863 /nfs/dbraw/zinc/15/98/63/411159863.db2.gz IYCAAJMTESFBBK-MRVPVSSYSA-N 1 2 232.278 1.918 20 0 BDADLO CC[C@@H](CC(F)F)C[N@H+](C)Cc1nnc[nH]1 ZINC000659993789 411160219 /nfs/dbraw/zinc/16/02/19/411160219.db2.gz IYCAAJMTESFBBK-QMMMGPOBSA-N 1 2 232.278 1.918 20 0 BDADLO CC[C@@H](CC(F)F)C[N@@H+](C)Cc1nnc[nH]1 ZINC000659993789 411160222 /nfs/dbraw/zinc/16/02/22/411160222.db2.gz IYCAAJMTESFBBK-QMMMGPOBSA-N 1 2 232.278 1.918 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1c(Cl)cnn1C ZINC000652049696 411096249 /nfs/dbraw/zinc/09/62/49/411096249.db2.gz LXDLZTVDXOKQQJ-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1c(Cl)cnn1C ZINC000652049696 411096251 /nfs/dbraw/zinc/09/62/51/411096251.db2.gz LXDLZTVDXOKQQJ-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccnn1C ZINC000656107562 411180374 /nfs/dbraw/zinc/18/03/74/411180374.db2.gz KLPVCVIMSLGRAY-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCCC1CC1 ZINC000656128927 411184334 /nfs/dbraw/zinc/18/43/34/411184334.db2.gz LMNVWHVBIJEWFY-UHFFFAOYSA-N 1 2 232.291 1.158 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccc(F)cn1 ZINC000656147486 411186214 /nfs/dbraw/zinc/18/62/14/411186214.db2.gz XQFQBEBHSAOUGS-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO COc1c(C)[nH+]cnc1NC1CC=CC1 ZINC000656146876 411186461 /nfs/dbraw/zinc/18/64/61/411186461.db2.gz QFODXPUTZGQRMS-UHFFFAOYSA-N 1 2 205.261 1.924 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[C@@H](C)CO ZINC000656150427 411186769 /nfs/dbraw/zinc/18/67/69/411186769.db2.gz SBQAQUYXVDOHLW-SECBINFHSA-N 1 2 223.320 1.914 20 0 BDADLO Cc1cnc(CCNc2nc(C)[nH+]cc2C)nc1 ZINC000656150476 411186921 /nfs/dbraw/zinc/18/69/21/411186921.db2.gz UOKGOXPOEWXZDV-UHFFFAOYSA-N 1 2 243.314 1.846 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@@H](O)C1(C)C ZINC000656165197 411189577 /nfs/dbraw/zinc/18/95/77/411189577.db2.gz ZZTAQFFPSPEEID-DTWKUNHWSA-N 1 2 237.303 1.365 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](O)[C@@H](C)C1 ZINC000656164104 411189587 /nfs/dbraw/zinc/18/95/87/411189587.db2.gz CKNCKMWPPBLNOK-WCBMZHEXSA-N 1 2 237.303 1.001 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC(C)(C)O ZINC000656164493 411189869 /nfs/dbraw/zinc/18/98/69/411189869.db2.gz JHGQILPEZIMUHG-UHFFFAOYSA-N 1 2 225.292 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CC[C@@H](O)C1 ZINC000656175584 411193403 /nfs/dbraw/zinc/19/34/03/411193403.db2.gz ILCRSWGWKCDQGN-VHSXEESVSA-N 1 2 237.303 1.367 20 0 BDADLO CCc1cc(=O)[nH]c(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000548097165 411200033 /nfs/dbraw/zinc/20/00/33/411200033.db2.gz VJZFQDLXMXSKJH-RKDXNWHRSA-N 1 2 221.304 1.727 20 0 BDADLO CC[C@H]([NH2+]Cc1noc(C)n1)[C@@H]1CCCCO1 ZINC000653878636 411206245 /nfs/dbraw/zinc/20/62/45/411206245.db2.gz BVRUGPMVFFCEEL-QWRGUYRKSA-N 1 2 239.319 1.815 20 0 BDADLO CC[C@@H]([NH2+]Cc1noc(C)n1)[C@@H]1CCCCO1 ZINC000653878635 411206431 /nfs/dbraw/zinc/20/64/31/411206431.db2.gz BVRUGPMVFFCEEL-MNOVXSKESA-N 1 2 239.319 1.815 20 0 BDADLO CCn1ccc(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000658033645 411208418 /nfs/dbraw/zinc/20/84/18/411208418.db2.gz HAPABTXSFIUPCS-GFCCVEGCSA-N 1 2 245.330 1.724 20 0 BDADLO CC(C)(C)n1nnc(CNc2cccc[nH+]2)n1 ZINC000656213054 411211203 /nfs/dbraw/zinc/21/12/03/411211203.db2.gz MQWMGUKLSSLEPB-UHFFFAOYSA-N 1 2 232.291 1.435 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659293431 411214454 /nfs/dbraw/zinc/21/44/54/411214454.db2.gz DHQJBRMXQISWEA-WCBMZHEXSA-N 1 2 235.287 1.417 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)Cn2cncn2)c1 ZINC000658044070 411216929 /nfs/dbraw/zinc/21/69/29/411216929.db2.gz MKQGZWLISPEOOY-JTQLQIEISA-N 1 2 247.302 1.320 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653902560 411217000 /nfs/dbraw/zinc/21/70/00/411217000.db2.gz WLMNFAMMFAMHQM-JTQLQIEISA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000653902560 411217001 /nfs/dbraw/zinc/21/70/01/411217001.db2.gz WLMNFAMMFAMHQM-JTQLQIEISA-N 1 2 238.335 1.204 20 0 BDADLO c1cc(C[NH2+]Cc2cc3n(n2)CCCC3)on1 ZINC000656255867 411217791 /nfs/dbraw/zinc/21/77/91/411217791.db2.gz QHZWSQRQDNSHSG-UHFFFAOYSA-N 1 2 232.287 1.497 20 0 BDADLO Cc1cc(C[NH+]2CC3(CC3(F)F)C2)nn1C ZINC000656265227 411220271 /nfs/dbraw/zinc/22/02/71/411220271.db2.gz DTAGMCGLMYWPER-UHFFFAOYSA-N 1 2 227.258 1.570 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265677 411221717 /nfs/dbraw/zinc/22/17/17/411221717.db2.gz VSYROISILGODOJ-UHFFFAOYSA-N 1 2 213.231 1.559 20 0 BDADLO C[C@H](O)C[N@H+](Cc1c(Cl)cnn1C)C1CC1 ZINC000656277630 411227512 /nfs/dbraw/zinc/22/75/12/411227512.db2.gz CYQHORJYECNFJT-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1c(Cl)cnn1C)C1CC1 ZINC000656277630 411227514 /nfs/dbraw/zinc/22/75/14/411227514.db2.gz CYQHORJYECNFJT-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660103131 411231630 /nfs/dbraw/zinc/23/16/30/411231630.db2.gz YSKISEBLHCSKNI-VIFPVBQESA-N 1 2 224.308 1.531 20 0 BDADLO Cc1c[nH]nc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652412711 411233785 /nfs/dbraw/zinc/23/37/85/411233785.db2.gz SYAGJTZTDKXJNZ-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO CCOC(=O)[C@H]1[NH2+]CC[C@@H]1Nc1ccc(C)cc1 ZINC000422976345 411235861 /nfs/dbraw/zinc/23/58/61/411235861.db2.gz CVYOMYADOHODHL-STQMWFEESA-N 1 2 248.326 1.701 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOCC12CCC2 ZINC000660119211 411238526 /nfs/dbraw/zinc/23/85/26/411238526.db2.gz ZDBKBUJMINZBAY-UHFFFAOYSA-N 1 2 236.315 1.992 20 0 BDADLO CCc1nocc1C[N@H+]1CCOCC12CCC2 ZINC000660119211 411238528 /nfs/dbraw/zinc/23/85/28/411238528.db2.gz ZDBKBUJMINZBAY-UHFFFAOYSA-N 1 2 236.315 1.992 20 0 BDADLO CCn1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000652413773 411238700 /nfs/dbraw/zinc/23/87/00/411238700.db2.gz KULMYTDBHNVKOU-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO CC[C@]1(C)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000659999999 411165210 /nfs/dbraw/zinc/16/52/10/411165210.db2.gz KDCXZDSWJVADPN-LLVKDONJSA-N 1 2 208.309 1.469 20 0 BDADLO CC[C@]1(C)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659999999 411165213 /nfs/dbraw/zinc/16/52/13/411165213.db2.gz KDCXZDSWJVADPN-LLVKDONJSA-N 1 2 208.309 1.469 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(OC)no1 ZINC000660148461 411263866 /nfs/dbraw/zinc/26/38/66/411263866.db2.gz LSUZCDOIIXZHQK-LBPRGKRZSA-N 1 2 240.303 1.684 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(OC)no1 ZINC000660148461 411263868 /nfs/dbraw/zinc/26/38/68/411263868.db2.gz LSUZCDOIIXZHQK-LBPRGKRZSA-N 1 2 240.303 1.684 20 0 BDADLO Cn1c[nH+]c(CN2CCOC3(CCC3)C2)c1 ZINC000660156100 411269351 /nfs/dbraw/zinc/26/93/51/411269351.db2.gz OALRLMAQGDBKJD-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000660156100 411269354 /nfs/dbraw/zinc/26/93/54/411269354.db2.gz OALRLMAQGDBKJD-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000660156100 411269359 /nfs/dbraw/zinc/26/93/59/411269359.db2.gz OALRLMAQGDBKJD-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnc(COC)[nH]1)C1CCC1 ZINC000658155514 411269644 /nfs/dbraw/zinc/26/96/44/411269644.db2.gz APCUDAZBJGYNIG-SNVBAGLBSA-N 1 2 238.335 1.619 20 0 BDADLO CCN1OC[C@@H]([N@H+](CC)Cc2ccncc2)C1=O ZINC000660162021 411272257 /nfs/dbraw/zinc/27/22/57/411272257.db2.gz KJDOIWZQSSYNAK-GFCCVEGCSA-N 1 2 249.314 1.066 20 0 BDADLO CCN1OC[C@@H]([N@@H+](CC)Cc2ccncc2)C1=O ZINC000660162021 411272260 /nfs/dbraw/zinc/27/22/60/411272260.db2.gz KJDOIWZQSSYNAK-GFCCVEGCSA-N 1 2 249.314 1.066 20 0 BDADLO COCc1cc(CNc2ccc(OC)c[nH+]2)no1 ZINC000656507176 411288081 /nfs/dbraw/zinc/28/80/81/411288081.db2.gz OCMGREHEDLMZLV-UHFFFAOYSA-N 1 2 249.270 1.837 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000656534165 411290346 /nfs/dbraw/zinc/29/03/46/411290346.db2.gz FDHHHPACXUTRMH-GJMOJQLCSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000656534165 411290350 /nfs/dbraw/zinc/29/03/50/411290350.db2.gz FDHHHPACXUTRMH-GJMOJQLCSA-N 1 2 227.226 1.019 20 0 BDADLO CC[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000299573306 411302624 /nfs/dbraw/zinc/30/26/24/411302624.db2.gz GCPGONPQNDGACD-SECBINFHSA-N 1 2 220.320 1.675 20 0 BDADLO CC[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000299573306 411302626 /nfs/dbraw/zinc/30/26/26/411302626.db2.gz GCPGONPQNDGACD-SECBINFHSA-N 1 2 220.320 1.675 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1coc(C)n1 ZINC000654001386 411309279 /nfs/dbraw/zinc/30/92/79/411309279.db2.gz FJUCQMKEPTYKFC-QMMMGPOBSA-N 1 2 248.286 1.690 20 0 BDADLO FC(F)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661966486 411333363 /nfs/dbraw/zinc/33/33/63/411333363.db2.gz IYOJVZNJLXFKMA-RNFRBKRXSA-N 1 2 229.230 1.849 20 0 BDADLO FC(F)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661966486 411333367 /nfs/dbraw/zinc/33/33/67/411333367.db2.gz IYOJVZNJLXFKMA-RNFRBKRXSA-N 1 2 229.230 1.849 20 0 BDADLO CCCCO[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359680649 411313669 /nfs/dbraw/zinc/31/36/69/411313669.db2.gz KZFOGVNBWZJIQZ-SECBINFHSA-N 1 2 225.292 1.231 20 0 BDADLO CCCCO[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359680649 411313673 /nfs/dbraw/zinc/31/36/73/411313673.db2.gz KZFOGVNBWZJIQZ-SECBINFHSA-N 1 2 225.292 1.231 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000357671594 167913429 /nfs/dbraw/zinc/91/34/29/167913429.db2.gz HKPUHPIPUKPQRW-VIFPVBQESA-N 1 2 234.299 1.974 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c(n2)CCC3)C1 ZINC000656657046 411317399 /nfs/dbraw/zinc/31/73/99/411317399.db2.gz BXOWMOFEJPHISP-UHFFFAOYSA-N 1 2 232.327 1.791 20 0 BDADLO CC1(F)C[NH+](CC2(O)CCSCC2)C1 ZINC000656699044 411324571 /nfs/dbraw/zinc/32/45/71/411324571.db2.gz HNBCYCIFWIBONA-UHFFFAOYSA-N 1 2 219.325 1.288 20 0 BDADLO COc1ccncc1CN(C)Cc1[nH]cc[nH+]1 ZINC000660142764 411257724 /nfs/dbraw/zinc/25/77/24/411257724.db2.gz JIBFZQVWMGPJFT-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO CC1(C)C[N@H+](Cc2cnccn2)C(C)(C)CO1 ZINC000656440889 411258874 /nfs/dbraw/zinc/25/88/74/411258874.db2.gz UBFJHSPVOXPVLJ-UHFFFAOYSA-N 1 2 235.331 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnccn2)C(C)(C)CO1 ZINC000656440889 411258876 /nfs/dbraw/zinc/25/88/76/411258876.db2.gz UBFJHSPVOXPVLJ-UHFFFAOYSA-N 1 2 235.331 1.866 20 0 BDADLO COc1cccc(C[NH+]2CC(C)(CO)C2)c1F ZINC000656775758 411356293 /nfs/dbraw/zinc/35/62/93/411356293.db2.gz AZLIUKQZMRDURB-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCc2nccnc2C1 ZINC000662119829 411362915 /nfs/dbraw/zinc/36/29/15/411362915.db2.gz XUEAPBNAVOOUPR-UHFFFAOYSA-N 1 2 233.315 1.594 20 0 BDADLO CCC(=O)CCC[N@H+]1CCc2nccnc2C1 ZINC000662119829 411362919 /nfs/dbraw/zinc/36/29/19/411362919.db2.gz XUEAPBNAVOOUPR-UHFFFAOYSA-N 1 2 233.315 1.594 20 0 BDADLO CCc1cc(N[C@H]2COCC2(C)C)nc[nH+]1 ZINC000313018817 411368395 /nfs/dbraw/zinc/36/83/95/411368395.db2.gz JUVUJAMSARSMST-JTQLQIEISA-N 1 2 221.304 1.876 20 0 BDADLO COc1cc(C[NH+]2CCSCC2)on1 ZINC000659842688 411333733 /nfs/dbraw/zinc/33/37/33/411333733.db2.gz DAZFTNSXBIDNJH-UHFFFAOYSA-N 1 2 214.290 1.232 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661968589 411337630 /nfs/dbraw/zinc/33/76/30/411337630.db2.gz YWVOZYFIHKWXPE-FXBDTBDDSA-N 1 2 207.277 1.781 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661968589 411337632 /nfs/dbraw/zinc/33/76/32/411337632.db2.gz YWVOZYFIHKWXPE-FXBDTBDDSA-N 1 2 207.277 1.781 20 0 BDADLO CC1(CNc2cc[nH+]c(C3CC3)n2)COC1 ZINC000112695994 168047691 /nfs/dbraw/zinc/04/76/91/168047691.db2.gz PQPLAEYZIHAJFI-UHFFFAOYSA-N 1 2 219.288 1.802 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1nccn1C ZINC000658336824 411345145 /nfs/dbraw/zinc/34/51/45/411345145.db2.gz AJCYDTYCXVSMPH-VHSXEESVSA-N 1 2 233.319 1.565 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000275055196 168008770 /nfs/dbraw/zinc/00/87/70/168008770.db2.gz UQZZCCFIWNOENZ-NXEZZACHSA-N 1 2 233.315 1.925 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000334023542 168009212 /nfs/dbraw/zinc/00/92/12/168009212.db2.gz FLPPHYVJDGBJSX-NXEZZACHSA-N 1 2 248.330 1.622 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000334023542 168009214 /nfs/dbraw/zinc/00/92/14/168009214.db2.gz FLPPHYVJDGBJSX-NXEZZACHSA-N 1 2 248.330 1.622 20 0 BDADLO CC1(CNc2nc[nH+]c(N)c2Cl)COC1 ZINC000277394677 168049728 /nfs/dbraw/zinc/04/97/28/168049728.db2.gz JKBAIBPZWPJLNU-UHFFFAOYSA-N 1 2 228.683 1.161 20 0 BDADLO CC1(CNc2[nH+]cnc(N)c2Cl)COC1 ZINC000277394677 168049729 /nfs/dbraw/zinc/04/97/29/168049729.db2.gz JKBAIBPZWPJLNU-UHFFFAOYSA-N 1 2 228.683 1.161 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000363784132 168060055 /nfs/dbraw/zinc/06/00/55/168060055.db2.gz WEFMXMDFMGFYLS-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CC1(O)CC[NH+](Cc2cscn2)CC1 ZINC000087781144 168067121 /nfs/dbraw/zinc/06/71/21/168067121.db2.gz KPMTXRMQKPRZRM-UHFFFAOYSA-N 1 2 212.318 1.490 20 0 BDADLO CC1=CC[N@H+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000336489860 168116137 /nfs/dbraw/zinc/11/61/37/168116137.db2.gz VJPVHTVEBFPCHQ-UHFFFAOYSA-N 1 2 218.304 1.834 20 0 BDADLO CC1=CC[N@@H+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000336489860 168116139 /nfs/dbraw/zinc/11/61/39/168116139.db2.gz VJPVHTVEBFPCHQ-UHFFFAOYSA-N 1 2 218.304 1.834 20 0 BDADLO CCOCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662226077 411380385 /nfs/dbraw/zinc/38/03/85/411380385.db2.gz DBAXMCWZRPGCSP-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CCOCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662226077 411380392 /nfs/dbraw/zinc/38/03/92/411380392.db2.gz DBAXMCWZRPGCSP-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CC1=CC[N@H+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000270335599 168117182 /nfs/dbraw/zinc/11/71/82/168117182.db2.gz MSEPYWJUZHNXFY-LLVKDONJSA-N 1 2 246.314 1.456 20 0 BDADLO CC1=CC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000270335599 168117185 /nfs/dbraw/zinc/11/71/85/168117185.db2.gz MSEPYWJUZHNXFY-LLVKDONJSA-N 1 2 246.314 1.456 20 0 BDADLO CC(C)(C)n1nnc(C[NH+]2C3CCC2CC3)n1 ZINC000653491346 411381943 /nfs/dbraw/zinc/38/19/43/411381943.db2.gz VGYJFXVQUCWCGN-UHFFFAOYSA-N 1 2 235.335 1.555 20 0 BDADLO CC1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000280048628 168140268 /nfs/dbraw/zinc/14/02/68/168140268.db2.gz VZZHRUXOUSOURW-UHFFFAOYSA-N 1 2 221.304 1.267 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000659292906 411388904 /nfs/dbraw/zinc/38/89/04/411388904.db2.gz AQHZJPFOZPGMSB-BRPSZJMVSA-N 1 2 217.272 1.648 20 0 BDADLO CCC(=CC(=O)NC1=[NH+]CCS1)CC ZINC000177526355 168194656 /nfs/dbraw/zinc/19/46/56/168194656.db2.gz IBWFRBUVEFMERC-UHFFFAOYSA-N 1 2 212.318 1.952 20 0 BDADLO CCC(=O)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367572391 168202623 /nfs/dbraw/zinc/20/26/23/168202623.db2.gz DQKNCDVOXPMPHX-STQMWFEESA-N 1 2 241.331 1.235 20 0 BDADLO CCC(=O)CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367572391 168202624 /nfs/dbraw/zinc/20/26/24/168202624.db2.gz DQKNCDVOXPMPHX-STQMWFEESA-N 1 2 241.331 1.235 20 0 BDADLO CN1CC[C@@H]([N@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000659944958 411390011 /nfs/dbraw/zinc/39/00/11/411390011.db2.gz QIWGJCSZHWRJFT-GFCCVEGCSA-N 1 2 249.314 1.215 20 0 BDADLO CN1CC[C@@H]([N@@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000659944958 411390015 /nfs/dbraw/zinc/39/00/15/411390015.db2.gz QIWGJCSZHWRJFT-GFCCVEGCSA-N 1 2 249.314 1.215 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CO)on1 ZINC000653495425 411390758 /nfs/dbraw/zinc/39/07/58/411390758.db2.gz MBGRZTJYFULPHD-SNVBAGLBSA-N 1 2 238.287 1.224 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CO)on1 ZINC000653495425 411390762 /nfs/dbraw/zinc/39/07/62/411390762.db2.gz MBGRZTJYFULPHD-SNVBAGLBSA-N 1 2 238.287 1.224 20 0 BDADLO CCN(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000657004566 411391458 /nfs/dbraw/zinc/39/14/58/411391458.db2.gz VHMRAZYKAYPSIR-RKDXNWHRSA-N 1 2 222.292 1.550 20 0 BDADLO CCN(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000657004564 411391539 /nfs/dbraw/zinc/39/15/39/411391539.db2.gz VHMRAZYKAYPSIR-DTWKUNHWSA-N 1 2 222.292 1.550 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)o1 ZINC000657305006 411457168 /nfs/dbraw/zinc/45/71/68/411457168.db2.gz SUYIHYRQMPYACO-MNOVXSKESA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)o1 ZINC000657305006 411457170 /nfs/dbraw/zinc/45/71/70/411457170.db2.gz SUYIHYRQMPYACO-MNOVXSKESA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)C2)nc(C)n1 ZINC000659812795 411460431 /nfs/dbraw/zinc/46/04/31/411460431.db2.gz NZWPDWFJLPFKBT-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)C2)nc(C)n1 ZINC000659812795 411460432 /nfs/dbraw/zinc/46/04/32/411460432.db2.gz NZWPDWFJLPFKBT-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@H]1CCCCN1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028314 411395072 /nfs/dbraw/zinc/39/50/72/411395072.db2.gz GJOCNONBGBCMEC-JTQLQIEISA-N 1 2 236.319 1.836 20 0 BDADLO C[C@H]1CCCCN1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028314 411395075 /nfs/dbraw/zinc/39/50/75/411395075.db2.gz GJOCNONBGBCMEC-JTQLQIEISA-N 1 2 236.319 1.836 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000579987557 411395163 /nfs/dbraw/zinc/39/51/63/411395163.db2.gz YJXGLQFWGWEKHO-SECBINFHSA-N 1 2 237.303 1.570 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654434038 411396179 /nfs/dbraw/zinc/39/61/79/411396179.db2.gz HWCZPQOMUYBLNO-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654434038 411396182 /nfs/dbraw/zinc/39/61/82/411396182.db2.gz HWCZPQOMUYBLNO-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCCC2(CC2)C1 ZINC000660304653 411396660 /nfs/dbraw/zinc/39/66/60/411396660.db2.gz GFRJBQBRZPBRNH-UHFFFAOYSA-N 1 2 206.293 1.223 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCCC2(CC2)C1 ZINC000660304653 411396663 /nfs/dbraw/zinc/39/66/63/411396663.db2.gz GFRJBQBRZPBRNH-UHFFFAOYSA-N 1 2 206.293 1.223 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC2(C)CC=CC2)c1 ZINC000654589025 411415606 /nfs/dbraw/zinc/41/56/06/411415606.db2.gz SGPDBQXSFHDJEH-UHFFFAOYSA-N 1 2 248.330 1.371 20 0 BDADLO OCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000405079114 411415639 /nfs/dbraw/zinc/41/56/39/411415639.db2.gz OLGXNEJVGVKXJU-UHFFFAOYSA-N 1 2 207.264 1.880 20 0 BDADLO OCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000405079114 411415643 /nfs/dbraw/zinc/41/56/43/411415643.db2.gz OLGXNEJVGVKXJU-UHFFFAOYSA-N 1 2 207.264 1.880 20 0 BDADLO C[C@H]1C[NH+](Cc2nnn(C(C)(C)C)n2)C[C@@H]1C ZINC000653561678 411421945 /nfs/dbraw/zinc/42/19/45/411421945.db2.gz OXMXYHWZWYLCGN-UWVGGRQHSA-N 1 2 237.351 1.516 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC000653561676 411421954 /nfs/dbraw/zinc/42/19/54/411421954.db2.gz OXMXYHWZWYLCGN-AOOOYVTPSA-N 1 2 237.351 1.516 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC000653561676 411421957 /nfs/dbraw/zinc/42/19/57/411421957.db2.gz OXMXYHWZWYLCGN-AOOOYVTPSA-N 1 2 237.351 1.516 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@](C)(O)C1CC1 ZINC000270021555 411425451 /nfs/dbraw/zinc/42/54/51/411425451.db2.gz DPZRSRUCIWGKLD-ZDUSSCGKSA-N 1 2 234.299 1.880 20 0 BDADLO CO[C@@H](COCc1[nH]cc[nH+]1)C1CCC1 ZINC000657255644 411428931 /nfs/dbraw/zinc/42/89/31/411428931.db2.gz NINCMLQJSPAMQO-JTQLQIEISA-N 1 2 210.277 1.741 20 0 BDADLO Cc1ccncc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654725846 411437045 /nfs/dbraw/zinc/43/70/45/411437045.db2.gz LQDKEVPSEPRKJF-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccncc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654725846 411437046 /nfs/dbraw/zinc/43/70/46/411437046.db2.gz LQDKEVPSEPRKJF-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO CC[C@](C)(CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000654775244 411443543 /nfs/dbraw/zinc/44/35/43/411443543.db2.gz CFOYLQXHWBUNMM-CYBMUJFWSA-N 1 2 247.298 1.681 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)no1 ZINC000637929974 411446988 /nfs/dbraw/zinc/44/69/88/411446988.db2.gz RMBVEQZIQJYHBA-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc(=O)[nH]c2)no1 ZINC000637929974 411446991 /nfs/dbraw/zinc/44/69/91/411446991.db2.gz RMBVEQZIQJYHBA-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)nc1 ZINC000657294820 411454389 /nfs/dbraw/zinc/45/43/89/411454389.db2.gz OKQXTFWTPPERHG-NEPJUHHUSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)nc1 ZINC000657294820 411454391 /nfs/dbraw/zinc/45/43/91/411454391.db2.gz OKQXTFWTPPERHG-NEPJUHHUSA-N 1 2 233.315 1.396 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1coc(C)n1 ZINC000659842044 411473505 /nfs/dbraw/zinc/47/35/05/411473505.db2.gz WQRBSWIJQPTDFE-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1coc(C)n1 ZINC000659842044 411473506 /nfs/dbraw/zinc/47/35/06/411473506.db2.gz WQRBSWIJQPTDFE-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CCC1(C)CC[NH+](CCc2cnn[nH]2)CC1 ZINC000659864895 411482986 /nfs/dbraw/zinc/48/29/86/411482986.db2.gz ARIWEUBHLISSTO-UHFFFAOYSA-N 1 2 222.336 1.859 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCCC2(F)F)C1 ZINC000655079670 411490848 /nfs/dbraw/zinc/49/08/48/411490848.db2.gz CYQJNTQMNCWGTD-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO CC(C)n1ccnc1C[NH2+][C@H](C)C(=O)N(C)C ZINC000657389457 411491516 /nfs/dbraw/zinc/49/15/16/411491516.db2.gz WUSCVBRUNPFFJX-SNVBAGLBSA-N 1 2 238.335 1.030 20 0 BDADLO C[C@@H]1C[N@H+](CC2CC=CC2)CCS(=O)(=O)C1 ZINC000660418634 411492488 /nfs/dbraw/zinc/49/24/88/411492488.db2.gz QPIQRFAMOOXWHG-LLVKDONJSA-N 1 2 243.372 1.319 20 0 BDADLO C[C@@H]1C[N@@H+](CC2CC=CC2)CCS(=O)(=O)C1 ZINC000660418634 411492491 /nfs/dbraw/zinc/49/24/91/411492491.db2.gz QPIQRFAMOOXWHG-LLVKDONJSA-N 1 2 243.372 1.319 20 0 BDADLO c1cc2c(s1)CCC[N@@H+](CCc1cnn[nH]1)C2 ZINC000659910851 411495856 /nfs/dbraw/zinc/49/58/56/411495856.db2.gz UZAFHGLAHAVDPW-UHFFFAOYSA-N 1 2 248.355 1.857 20 0 BDADLO c1cc2c(s1)CCC[N@H+](CCc1cnn[nH]1)C2 ZINC000659910851 411495860 /nfs/dbraw/zinc/49/58/60/411495860.db2.gz UZAFHGLAHAVDPW-UHFFFAOYSA-N 1 2 248.355 1.857 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(OC)no2)C[C@H](C)O1 ZINC000659916278 411497120 /nfs/dbraw/zinc/49/71/20/411497120.db2.gz BJDOHHFXYLFXDJ-UWVGGRQHSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H](C)O1 ZINC000659916278 411497123 /nfs/dbraw/zinc/49/71/23/411497123.db2.gz BJDOHHFXYLFXDJ-UWVGGRQHSA-N 1 2 240.303 1.683 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC(C)(F)F ZINC000655128097 411500818 /nfs/dbraw/zinc/50/08/18/411500818.db2.gz RUOYYJQJQLHJRY-UHFFFAOYSA-N 1 2 231.246 1.565 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2n[nH]cc2C2CC2)C1 ZINC000655157752 411507307 /nfs/dbraw/zinc/50/73/07/411507307.db2.gz JUJSWLZLALMZIN-UHFFFAOYSA-N 1 2 248.330 1.567 20 0 BDADLO CC1(C)C[C@H](O)CC[N@H+](CC(F)F)C1 ZINC000307067606 411512053 /nfs/dbraw/zinc/51/20/53/411512053.db2.gz SRNQROWRDVIESR-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CC1(C)C[C@H](O)CC[N@@H+](CC(F)F)C1 ZINC000307067606 411512057 /nfs/dbraw/zinc/51/20/57/411512057.db2.gz SRNQROWRDVIESR-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659970007 411513221 /nfs/dbraw/zinc/51/32/21/411513221.db2.gz LSSJJOFVIDIDLJ-AEJSXWLSSA-N 1 2 233.258 1.274 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659970007 411513224 /nfs/dbraw/zinc/51/32/24/411513224.db2.gz LSSJJOFVIDIDLJ-AEJSXWLSSA-N 1 2 233.258 1.274 20 0 BDADLO CCC(CC)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655799792 411517172 /nfs/dbraw/zinc/51/71/72/411517172.db2.gz PSGILNXHSCKSJO-SNVBAGLBSA-N 1 2 238.335 1.934 20 0 BDADLO C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1CC1 ZINC000655799469 411517295 /nfs/dbraw/zinc/51/72/95/411517295.db2.gz GKDTXIHIQGXTFG-WCBMZHEXSA-N 1 2 236.319 1.544 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccn2C(C)C)n(C)n1 ZINC000657464774 411518744 /nfs/dbraw/zinc/51/87/44/411518744.db2.gz VQVJECZQJWZUCV-UHFFFAOYSA-N 1 2 247.346 1.796 20 0 BDADLO Cc1c[nH]c(CN[C@H](C)C(F)(F)F)[nH+]1 ZINC000657466142 411519252 /nfs/dbraw/zinc/51/92/52/411519252.db2.gz BRHSYDZGADHGCL-ZCFIWIBFSA-N 1 2 207.199 1.759 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCSC2)n1 ZINC000655816204 411527042 /nfs/dbraw/zinc/52/70/42/411527042.db2.gz RDVATOLGVVDGSP-QMMMGPOBSA-N 1 2 241.364 1.023 20 0 BDADLO CCNC(=O)C1CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000301561009 170043957 /nfs/dbraw/zinc/04/39/57/170043957.db2.gz KGXSBKSPRYCHGY-UHFFFAOYSA-N 1 2 248.330 1.172 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000267439049 170055147 /nfs/dbraw/zinc/05/51/47/170055147.db2.gz YHRSTFDHHYYUCL-SNVBAGLBSA-N 1 2 221.304 1.211 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000267439049 170055148 /nfs/dbraw/zinc/05/51/48/170055148.db2.gz YHRSTFDHHYYUCL-SNVBAGLBSA-N 1 2 221.304 1.211 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1c(C)noc1C ZINC000252002570 170057478 /nfs/dbraw/zinc/05/74/78/170057478.db2.gz NASXPBGGWAYVBB-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1c(C)noc1C ZINC000252002570 170057479 /nfs/dbraw/zinc/05/74/79/170057479.db2.gz NASXPBGGWAYVBB-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134000889 170060754 /nfs/dbraw/zinc/06/07/54/170060754.db2.gz HYOGLPWDMFESQK-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134000889 170060756 /nfs/dbraw/zinc/06/07/56/170060756.db2.gz HYOGLPWDMFESQK-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CCNC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000374036942 170061179 /nfs/dbraw/zinc/06/11/79/170061179.db2.gz IYWKDYJKZBDCML-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)C[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374036942 170061180 /nfs/dbraw/zinc/06/11/80/170061180.db2.gz IYWKDYJKZBDCML-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263817136 170072618 /nfs/dbraw/zinc/07/26/18/170072618.db2.gz IUWRJGSUPQUQLS-UHFFFAOYSA-N 1 2 222.292 1.319 20 0 BDADLO CCNC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301676757 170074220 /nfs/dbraw/zinc/07/42/20/170074220.db2.gz SQXIQGPXTJUPGV-SNVBAGLBSA-N 1 2 249.318 1.001 20 0 BDADLO CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000048729060 170081466 /nfs/dbraw/zinc/08/14/66/170081466.db2.gz UZXHBTGEGXQDHX-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO CN(Cc1cc(C2CC2)no1)Cc1[nH]cc[nH+]1 ZINC000660141910 411544596 /nfs/dbraw/zinc/54/45/96/411544596.db2.gz KRHPYNYKSNRDIM-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO COc1cncc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000660143674 411545020 /nfs/dbraw/zinc/54/50/20/411545020.db2.gz ZNOOFPNDXSFSMU-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO CCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000084027997 170176017 /nfs/dbraw/zinc/17/60/17/170176017.db2.gz QHPDRUAIWAOJTM-UHFFFAOYSA-N 1 2 209.297 1.493 20 0 BDADLO CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000084027997 170176018 /nfs/dbraw/zinc/17/60/18/170176018.db2.gz QHPDRUAIWAOJTM-UHFFFAOYSA-N 1 2 209.297 1.493 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000660151171 411547150 /nfs/dbraw/zinc/54/71/50/411547150.db2.gz PRIAPDMQMJIZIG-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000660151171 411547152 /nfs/dbraw/zinc/54/71/52/411547152.db2.gz PRIAPDMQMJIZIG-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@H]2C2CC2)c1 ZINC000660151171 411547154 /nfs/dbraw/zinc/54/71/54/411547154.db2.gz PRIAPDMQMJIZIG-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H](C)O ZINC000336773667 170188281 /nfs/dbraw/zinc/18/82/81/170188281.db2.gz YYSQVSXDCKILLF-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nccc(C)n1 ZINC000339663509 170204525 /nfs/dbraw/zinc/20/45/25/170204525.db2.gz SATREKHVEVAUFA-UHFFFAOYSA-N 1 2 237.303 1.170 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nccc(C)n1 ZINC000339663509 170204526 /nfs/dbraw/zinc/20/45/26/170204526.db2.gz SATREKHVEVAUFA-UHFFFAOYSA-N 1 2 237.303 1.170 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055059514 170215070 /nfs/dbraw/zinc/21/50/70/170215070.db2.gz XSOIOUALCOOOKM-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055059514 170215071 /nfs/dbraw/zinc/21/50/71/170215071.db2.gz XSOIOUALCOOOKM-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000042372227 170215131 /nfs/dbraw/zinc/21/51/31/170215131.db2.gz HHMBRJLENVZAFN-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000042372227 170215133 /nfs/dbraw/zinc/21/51/33/170215133.db2.gz HHMBRJLENVZAFN-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123293 170219064 /nfs/dbraw/zinc/21/90/64/170219064.db2.gz ABOPBIDLGBSUDB-LLVKDONJSA-N 1 2 237.303 1.083 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123293 170219065 /nfs/dbraw/zinc/21/90/65/170219065.db2.gz ABOPBIDLGBSUDB-LLVKDONJSA-N 1 2 237.303 1.083 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000130946832 170221081 /nfs/dbraw/zinc/22/10/81/170221081.db2.gz MDOOTYWUQWYXQT-ZDUSSCGKSA-N 1 2 249.310 1.141 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000130946832 170221082 /nfs/dbraw/zinc/22/10/82/170221082.db2.gz MDOOTYWUQWYXQT-ZDUSSCGKSA-N 1 2 249.310 1.141 20 0 BDADLO CCOC(=O)C[NH2+]C(CC)(CC)CC(=O)OC ZINC000341917339 170225769 /nfs/dbraw/zinc/22/57/69/170225769.db2.gz ZUJMJPBCIHCKIV-UHFFFAOYSA-N 1 2 245.319 1.261 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000377850064 170226137 /nfs/dbraw/zinc/22/61/37/170226137.db2.gz CBUBGNQEMLEQNX-IACUBPJLSA-N 1 2 231.295 1.477 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000190825586 170246818 /nfs/dbraw/zinc/24/68/18/170246818.db2.gz OSGADUUQRDLZRD-PWSUYJOCSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C[C@@H]1CCCO1)C1CC1 ZINC000190825586 170246819 /nfs/dbraw/zinc/24/68/19/170246819.db2.gz OSGADUUQRDLZRD-PWSUYJOCSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1ccccn1 ZINC000084120520 170249616 /nfs/dbraw/zinc/24/96/16/170249616.db2.gz AREJXGHHKUFTIZ-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccn1 ZINC000084120520 170249618 /nfs/dbraw/zinc/24/96/18/170249618.db2.gz AREJXGHHKUFTIZ-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000336782395 170268659 /nfs/dbraw/zinc/26/86/59/170268659.db2.gz XMGPPBBOTBXMFY-GARJFASQSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](CC)SCc1[nH+]ccn1C ZINC000158641845 170272755 /nfs/dbraw/zinc/27/27/55/170272755.db2.gz IJQYTLJYQSPDAO-VIFPVBQESA-N 1 2 242.344 1.995 20 0 BDADLO CCOC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000289045355 170311736 /nfs/dbraw/zinc/31/17/36/170311736.db2.gz NKVRJAFGYMTHNC-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC1CCC1 ZINC000660368951 411573511 /nfs/dbraw/zinc/57/35/11/411573511.db2.gz KZMSLWAMASVHCX-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC1CCC1 ZINC000660368951 411573512 /nfs/dbraw/zinc/57/35/12/411573512.db2.gz KZMSLWAMASVHCX-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657668174 411573929 /nfs/dbraw/zinc/57/39/29/411573929.db2.gz DXYSYAANDUQJOZ-SECBINFHSA-N 1 2 215.247 1.853 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000297444235 170336902 /nfs/dbraw/zinc/33/69/02/170336902.db2.gz OMDYADIAOFURAY-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)on1 ZINC000660373573 411574621 /nfs/dbraw/zinc/57/46/21/411574621.db2.gz CIAJLRMFSDNGHA-AEJSXWLSSA-N 1 2 240.303 1.681 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)on1 ZINC000660373573 411574622 /nfs/dbraw/zinc/57/46/22/411574622.db2.gz CIAJLRMFSDNGHA-AEJSXWLSSA-N 1 2 240.303 1.681 20 0 BDADLO CCOC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC000297502945 170337203 /nfs/dbraw/zinc/33/72/03/170337203.db2.gz VDWUEGMCGNAAAE-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)c1ncn(C)n1)C1CCC1 ZINC000660374745 411575295 /nfs/dbraw/zinc/57/52/95/411575295.db2.gz XGKLEPHRIGHJPW-GXSJLCMTSA-N 1 2 238.335 1.281 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2(CO)CC2)co1 ZINC000660374596 411575348 /nfs/dbraw/zinc/57/53/48/411575348.db2.gz JXLUWKVAPIFRSM-UHFFFAOYSA-N 1 2 210.277 1.187 20 0 BDADLO Cc1nc(C[N@H+](C)CC2(CO)CC2)co1 ZINC000660374596 411575351 /nfs/dbraw/zinc/57/53/51/411575351.db2.gz JXLUWKVAPIFRSM-UHFFFAOYSA-N 1 2 210.277 1.187 20 0 BDADLO CCOCC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000294024252 170353012 /nfs/dbraw/zinc/35/30/12/170353012.db2.gz ZNWRDUHTYFALHW-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CCOCCC(=O)Nc1cc[nH+]cc1C ZINC000107292413 170363467 /nfs/dbraw/zinc/36/34/67/170363467.db2.gz KHYQKRNSVZHUML-UHFFFAOYSA-N 1 2 208.261 1.755 20 0 BDADLO CCOCCCCNC(=O)CCn1cc[nH+]c1 ZINC000299679117 170367480 /nfs/dbraw/zinc/36/74/80/170367480.db2.gz RGUNJSYLODHBKA-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(C)o1 ZINC000660321407 411568768 /nfs/dbraw/zinc/56/87/68/411568768.db2.gz GCWQCXJZAAOFKS-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@H](C3CC3)C2)c(C)o1 ZINC000660321407 411568770 /nfs/dbraw/zinc/56/87/70/411568770.db2.gz GCWQCXJZAAOFKS-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO CCOCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000101728086 170388047 /nfs/dbraw/zinc/38/80/47/170388047.db2.gz KXDLVYBPGJRZFW-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CCOCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000101728086 170388048 /nfs/dbraw/zinc/38/80/48/170388048.db2.gz KXDLVYBPGJRZFW-UHFFFAOYSA-N 1 2 217.309 1.296 20 0 BDADLO CCOCC[N@H+](CC(=O)OCC)C1CC1 ZINC000050063789 170392420 /nfs/dbraw/zinc/39/24/20/170392420.db2.gz AIEJHEWGGLCNDQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CCOCC[N@@H+](CC(=O)OCC)C1CC1 ZINC000050063789 170392422 /nfs/dbraw/zinc/39/24/22/170392422.db2.gz AIEJHEWGGLCNDQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CCOCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000368847105 170397614 /nfs/dbraw/zinc/39/76/14/170397614.db2.gz ZPWYHTJMZTXIGA-SECBINFHSA-N 1 2 211.265 1.243 20 0 BDADLO CCOCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000368847105 170397615 /nfs/dbraw/zinc/39/76/15/170397615.db2.gz ZPWYHTJMZTXIGA-SECBINFHSA-N 1 2 211.265 1.243 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccn(C)c1 ZINC000660793873 411634860 /nfs/dbraw/zinc/63/48/60/411634860.db2.gz HRNHGJHTSWNNJZ-UHFFFAOYSA-N 1 2 247.302 1.090 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccn(C)c1 ZINC000660793873 411634863 /nfs/dbraw/zinc/63/48/63/411634863.db2.gz HRNHGJHTSWNNJZ-UHFFFAOYSA-N 1 2 247.302 1.090 20 0 BDADLO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1csnn1 ZINC000660805465 411640883 /nfs/dbraw/zinc/64/08/83/411640883.db2.gz CGNLOGBQOYYVKS-HTRCEHHLSA-N 1 2 249.286 1.613 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1csnn1 ZINC000660811246 411642942 /nfs/dbraw/zinc/64/29/42/411642942.db2.gz GYYSUWPJIFEXCJ-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1csnn1 ZINC000660811246 411642944 /nfs/dbraw/zinc/64/29/44/411642944.db2.gz GYYSUWPJIFEXCJ-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO CO[C@@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392266 411578403 /nfs/dbraw/zinc/57/84/03/411578403.db2.gz YPBGSCQBIVSVJW-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392266 411578405 /nfs/dbraw/zinc/57/84/05/411578405.db2.gz YPBGSCQBIVSVJW-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ncccn2)cn1 ZINC000657734850 411587779 /nfs/dbraw/zinc/58/77/79/411587779.db2.gz NIMXTQLVHCMURZ-UHFFFAOYSA-N 1 2 228.299 1.724 20 0 BDADLO CC1=C[C@H](C)C[N@H+](CCc2cnn[nH]2)C1 ZINC000660460378 411587791 /nfs/dbraw/zinc/58/77/91/411587791.db2.gz UFWPEJSIDPHATK-VIFPVBQESA-N 1 2 206.293 1.245 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000660460378 411587792 /nfs/dbraw/zinc/58/77/92/411587792.db2.gz UFWPEJSIDPHATK-VIFPVBQESA-N 1 2 206.293 1.245 20 0 BDADLO CC[N@H+](Cc1nc(C)oc1C)[C@H]1CCNC1=O ZINC000660475445 411590718 /nfs/dbraw/zinc/59/07/18/411590718.db2.gz CQOOFJUGWABOQN-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC[N@@H+](Cc1nc(C)oc1C)[C@H]1CCNC1=O ZINC000660475445 411590719 /nfs/dbraw/zinc/59/07/19/411590719.db2.gz CQOOFJUGWABOQN-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000660488236 411592938 /nfs/dbraw/zinc/59/29/38/411592938.db2.gz DEFHOKKBYSOKDX-LBPRGKRZSA-N 1 2 240.278 1.458 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000660488236 411592939 /nfs/dbraw/zinc/59/29/39/411592939.db2.gz DEFHOKKBYSOKDX-LBPRGKRZSA-N 1 2 240.278 1.458 20 0 BDADLO COc1nccnc1CN[C@@H](C)c1[nH+]ccn1C ZINC000657793896 411598709 /nfs/dbraw/zinc/59/87/09/411598709.db2.gz RABCJONJJHYHON-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1nccnc1CN[C@H](C)c1[nH+]ccn1C ZINC000657793895 411598988 /nfs/dbraw/zinc/59/89/88/411598988.db2.gz RABCJONJJHYHON-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@@H](C)OC)[nH]1 ZINC000660553445 411599180 /nfs/dbraw/zinc/59/91/80/411599180.db2.gz YWEKVMQWJLQUDA-BDAKNGLRSA-N 1 2 226.324 1.395 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@@H](C)OC)[nH]1 ZINC000660553445 411599182 /nfs/dbraw/zinc/59/91/82/411599182.db2.gz YWEKVMQWJLQUDA-BDAKNGLRSA-N 1 2 226.324 1.395 20 0 BDADLO CCc1ncc(C[NH2+][C@H](C)c2nccn2C)cn1 ZINC000657794221 411599684 /nfs/dbraw/zinc/59/96/84/411599684.db2.gz VFUWPRKKVQRBBJ-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nncn1C)C1CCC1 ZINC000660556829 411599959 /nfs/dbraw/zinc/59/99/59/411599959.db2.gz NTOUOKQUPDPUBP-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nncn1C)C1CCC1 ZINC000660556829 411599961 /nfs/dbraw/zinc/59/99/61/411599961.db2.gz NTOUOKQUPDPUBP-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO Clc1ccc(CN2CCn3c[nH+]cc3C2)nc1 ZINC000660581488 411603118 /nfs/dbraw/zinc/60/31/18/411603118.db2.gz FEBGFTZRVOEZFG-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCn2cncc2C1 ZINC000660577949 411603435 /nfs/dbraw/zinc/60/34/35/411603435.db2.gz KRAVTBRBOZOKSN-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCn2cncc2C1 ZINC000660577949 411603437 /nfs/dbraw/zinc/60/34/37/411603437.db2.gz KRAVTBRBOZOKSN-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO Cc1cn(C)nc1NCc1c[nH+]cn1C ZINC000657811978 411603462 /nfs/dbraw/zinc/60/34/62/411603462.db2.gz JHESXKBTUDUIOK-UHFFFAOYSA-N 1 2 205.265 1.074 20 0 BDADLO CC[N@H+](Cc1nc(C)oc1C)[C@@H]1CCOC1 ZINC000660597274 411604927 /nfs/dbraw/zinc/60/49/27/411604927.db2.gz PZNVSEFONGHLKH-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[N@@H+](Cc1nc(C)oc1C)[C@@H]1CCOC1 ZINC000660597274 411604929 /nfs/dbraw/zinc/60/49/29/411604929.db2.gz PZNVSEFONGHLKH-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)[nH]1 ZINC000660640965 411610950 /nfs/dbraw/zinc/61/09/50/411610950.db2.gz UCFZKIOQPUVVEY-CIUDSAMLSA-N 1 2 208.309 1.768 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)[nH]1 ZINC000660640965 411610952 /nfs/dbraw/zinc/61/09/52/411610952.db2.gz UCFZKIOQPUVVEY-CIUDSAMLSA-N 1 2 208.309 1.768 20 0 BDADLO C[N@H+](Cc1cc(C2CC2)no1)C(C)(C)C(N)=O ZINC000660647053 411612150 /nfs/dbraw/zinc/61/21/50/411612150.db2.gz ASIQBAZPWSWSIG-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO C[N@@H+](Cc1cc(C2CC2)no1)C(C)(C)C(N)=O ZINC000660647053 411612152 /nfs/dbraw/zinc/61/21/52/411612152.db2.gz ASIQBAZPWSWSIG-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO Cc1cc(C[N@H+](C2CC2)C2COC2)nc(C)n1 ZINC000660648915 411612550 /nfs/dbraw/zinc/61/25/50/411612550.db2.gz ZGYXFAWESXJFKP-UHFFFAOYSA-N 1 2 233.315 1.457 20 0 BDADLO Cc1cc(C[N@@H+](C2CC2)C2COC2)nc(C)n1 ZINC000660648915 411612551 /nfs/dbraw/zinc/61/25/51/411612551.db2.gz ZGYXFAWESXJFKP-UHFFFAOYSA-N 1 2 233.315 1.457 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC1(C)C ZINC000660652901 411612944 /nfs/dbraw/zinc/61/29/44/411612944.db2.gz WWXRQWASFFMAIY-VIFPVBQESA-N 1 2 236.319 1.597 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC1(C)C ZINC000660652901 411612945 /nfs/dbraw/zinc/61/29/45/411612945.db2.gz WWXRQWASFFMAIY-VIFPVBQESA-N 1 2 236.319 1.597 20 0 BDADLO CC[C@@H](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000660704218 411618318 /nfs/dbraw/zinc/61/83/18/411618318.db2.gz DGBMAZWRXFTEOS-SNVBAGLBSA-N 1 2 238.335 1.656 20 0 BDADLO c1nc(NCC2COC2)cc(NCC2CC2)[nH+]1 ZINC000528224276 411706341 /nfs/dbraw/zinc/70/63/41/411706341.db2.gz APTLIAPNQCNYQJ-UHFFFAOYSA-N 1 2 234.303 1.357 20 0 BDADLO c1nc(NCC2CC2)cc(NCC2COC2)[nH+]1 ZINC000528224276 411706344 /nfs/dbraw/zinc/70/63/44/411706344.db2.gz APTLIAPNQCNYQJ-UHFFFAOYSA-N 1 2 234.303 1.357 20 0 BDADLO CCOc1cc(N(C)Cc2[nH]cc[nH+]2)nc(C)n1 ZINC000663617933 411710232 /nfs/dbraw/zinc/71/02/32/411710232.db2.gz PFXPQMKHNADXSQ-UHFFFAOYSA-N 1 2 247.302 1.543 20 0 BDADLO Cc1cc(NCC23CC(C2)CO3)nc[nH+]1 ZINC000528184386 411648449 /nfs/dbraw/zinc/64/84/49/411648449.db2.gz IBUPOHHOFYMYGZ-UHFFFAOYSA-N 1 2 205.261 1.376 20 0 BDADLO C[N@H+](CCC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000660843049 411654017 /nfs/dbraw/zinc/65/40/17/411654017.db2.gz STZVPTWNEXAJCS-UHFFFAOYSA-N 1 2 213.281 1.643 20 0 BDADLO C[N@@H+](CCC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000660843049 411654021 /nfs/dbraw/zinc/65/40/21/411654021.db2.gz STZVPTWNEXAJCS-UHFFFAOYSA-N 1 2 213.281 1.643 20 0 BDADLO C[C@H]1C[C@H](C[N@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843487 411654562 /nfs/dbraw/zinc/65/45/62/411654562.db2.gz ZFMADTSJPSGDLS-DTWKUNHWSA-N 1 2 241.291 1.022 20 0 BDADLO C[C@H]1C[C@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843487 411654567 /nfs/dbraw/zinc/65/45/67/411654567.db2.gz ZFMADTSJPSGDLS-DTWKUNHWSA-N 1 2 241.291 1.022 20 0 BDADLO Cc1cc(NCc2ncnn2C(C)C)nc[nH+]1 ZINC000519377066 411655371 /nfs/dbraw/zinc/65/53/71/411655371.db2.gz HZXNJDIASKHMEM-UHFFFAOYSA-N 1 2 232.291 1.570 20 0 BDADLO CCn1nccc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000663469632 411666325 /nfs/dbraw/zinc/66/63/25/411666325.db2.gz LAVXDNYMZRDWIX-ZYHUDNBSSA-N 1 2 245.330 1.895 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cn(C)cn1 ZINC000660911484 411668325 /nfs/dbraw/zinc/66/83/25/411668325.db2.gz CGASPYNYBZBHSL-GFCCVEGCSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cn(C)cn1 ZINC000660911484 411668329 /nfs/dbraw/zinc/66/83/29/411668329.db2.gz CGASPYNYBZBHSL-GFCCVEGCSA-N 1 2 237.347 1.810 20 0 BDADLO COC[C@H](C[N@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000660926229 411677053 /nfs/dbraw/zinc/67/70/53/411677053.db2.gz KVMGYVUEQOMQSK-WPRPVWTQSA-N 1 2 243.307 1.032 20 0 BDADLO COC[C@H](C[N@@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000660926229 411677056 /nfs/dbraw/zinc/67/70/56/411677056.db2.gz KVMGYVUEQOMQSK-WPRPVWTQSA-N 1 2 243.307 1.032 20 0 BDADLO c1snnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932205 411681595 /nfs/dbraw/zinc/68/15/95/411681595.db2.gz WAWSTYMMBRTVSL-WPRPVWTQSA-N 1 2 209.318 1.913 20 0 BDADLO c1snnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932205 411681598 /nfs/dbraw/zinc/68/15/98/411681598.db2.gz WAWSTYMMBRTVSL-WPRPVWTQSA-N 1 2 209.318 1.913 20 0 BDADLO OCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631029516 411687816 /nfs/dbraw/zinc/68/78/16/411687816.db2.gz CMHNJOBIKUGXGJ-UHFFFAOYSA-N 1 2 218.260 1.240 20 0 BDADLO CC(C)Cc1noc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661084118 411696232 /nfs/dbraw/zinc/69/62/32/411696232.db2.gz VSLCMBTWOBCXEM-UHFFFAOYSA-N 1 2 249.318 1.623 20 0 BDADLO CC(C)Cc1noc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661084118 411696235 /nfs/dbraw/zinc/69/62/35/411696235.db2.gz VSLCMBTWOBCXEM-UHFFFAOYSA-N 1 2 249.318 1.623 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661085186 411697283 /nfs/dbraw/zinc/69/72/83/411697283.db2.gz IDBOBPOUVZZNNS-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO CC(C)n1ccc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661085143 411697802 /nfs/dbraw/zinc/69/78/02/411697802.db2.gz KELLKWAGKIVZIL-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO CC(C)n1ccc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661085143 411697808 /nfs/dbraw/zinc/69/78/08/411697808.db2.gz KELLKWAGKIVZIL-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000663540889 411701003 /nfs/dbraw/zinc/70/10/03/411701003.db2.gz SUSZQFPIERSTTA-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cc(C2CC2)no1 ZINC000661092406 411703013 /nfs/dbraw/zinc/70/30/13/411703013.db2.gz HUDZFUZXURMJMN-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cc(C2CC2)no1 ZINC000661092406 411703016 /nfs/dbraw/zinc/70/30/16/411703016.db2.gz HUDZFUZXURMJMN-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO C[C@H](NC(=O)NCC(C)(F)F)c1[nH+]ccn1C ZINC000661237970 411739049 /nfs/dbraw/zinc/73/90/49/411739049.db2.gz CHZSNRAFVDNSLC-ZETCQYMHSA-N 1 2 246.261 1.436 20 0 BDADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H]1O ZINC000663764855 411741741 /nfs/dbraw/zinc/74/17/41/411741741.db2.gz PYNMGYMHTJHWKI-NOZJJQNGSA-N 1 2 243.310 1.634 20 0 BDADLO Cc1cn2ccc(C(=O)NC3CC3)cc2[nH+]1 ZINC000071540819 411743175 /nfs/dbraw/zinc/74/31/75/411743175.db2.gz PZHXAFYXEMVPDF-UHFFFAOYSA-N 1 2 215.256 1.535 20 0 BDADLO CCOc1cc(N2CCC(=O)[C@H](C)C2)nc(C)[nH+]1 ZINC000663818522 411754494 /nfs/dbraw/zinc/75/44/94/411754494.db2.gz HLSNVJNVIMZZQZ-SECBINFHSA-N 1 2 249.314 1.599 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n[nH]1 ZINC000636036131 411764445 /nfs/dbraw/zinc/76/44/45/411764445.db2.gz GMCXEYQOKXWKKV-RKDXNWHRSA-N 1 2 245.286 1.437 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n[nH]1 ZINC000636036131 411764448 /nfs/dbraw/zinc/76/44/48/411764448.db2.gz GMCXEYQOKXWKKV-RKDXNWHRSA-N 1 2 245.286 1.437 20 0 BDADLO O[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000661405813 411768435 /nfs/dbraw/zinc/76/84/35/411768435.db2.gz GVNZKIBSLAVQFZ-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000661405813 411768438 /nfs/dbraw/zinc/76/84/38/411768438.db2.gz GVNZKIBSLAVQFZ-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CC[N@H+](CC2CCC2)CC1(F)F ZINC000661401908 411768654 /nfs/dbraw/zinc/76/86/54/411768654.db2.gz SEWMEXYSJOCHGK-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@@H]1CC[N@@H+](CC2CCC2)CC1(F)F ZINC000661401908 411768658 /nfs/dbraw/zinc/76/86/58/411768658.db2.gz SEWMEXYSJOCHGK-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO CCc1cc(NCc2c(C)nnn2CC)nc[nH+]1 ZINC000624320468 411768733 /nfs/dbraw/zinc/76/87/33/411768733.db2.gz VJAGAYDNGSSTPV-UHFFFAOYSA-N 1 2 246.318 1.571 20 0 BDADLO O[C@@H]1CC[N@H+](CCC2CCOCC2)CC1(F)F ZINC000661413330 411771011 /nfs/dbraw/zinc/77/10/11/411771011.db2.gz MTSBNONHBHAPAB-LLVKDONJSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC2CCOCC2)CC1(F)F ZINC000661413330 411771013 /nfs/dbraw/zinc/77/10/13/411771013.db2.gz MTSBNONHBHAPAB-LLVKDONJSA-N 1 2 249.301 1.505 20 0 BDADLO COc1nc(C)cc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000663930046 411778548 /nfs/dbraw/zinc/77/85/48/411778548.db2.gz QQPMAMVUFOPIJK-MRVPVSSYSA-N 1 2 233.275 1.690 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc[nH]n1 ZINC000661461336 411781365 /nfs/dbraw/zinc/78/13/65/411781365.db2.gz CJKQOLQPZPGAIV-SNVBAGLBSA-N 1 2 221.304 1.553 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc[nH]n1 ZINC000661461336 411781371 /nfs/dbraw/zinc/78/13/71/411781371.db2.gz CJKQOLQPZPGAIV-SNVBAGLBSA-N 1 2 221.304 1.553 20 0 BDADLO C[C@@H]1CCC[N@H+](CC(F)F)[C@H]1CCO ZINC000661493532 411783382 /nfs/dbraw/zinc/78/33/82/411783382.db2.gz OKMOZCXHBNCMJJ-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CCC[N@@H+](CC(F)F)[C@H]1CCO ZINC000661493532 411783389 /nfs/dbraw/zinc/78/33/89/411783389.db2.gz OKMOZCXHBNCMJJ-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)no1 ZINC000661487489 411784500 /nfs/dbraw/zinc/78/45/00/411784500.db2.gz GOVDSKCXYLXBJY-KOLCDFICSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)no1 ZINC000661487489 411784504 /nfs/dbraw/zinc/78/45/04/411784504.db2.gz GOVDSKCXYLXBJY-KOLCDFICSA-N 1 2 239.319 1.361 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2csnn2)[C@@H]1CCO ZINC000661489683 411787946 /nfs/dbraw/zinc/78/79/46/411787946.db2.gz BOYCRMUEWCXTFF-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2csnn2)[C@@H]1CCO ZINC000661489683 411787952 /nfs/dbraw/zinc/78/79/52/411787952.db2.gz BOYCRMUEWCXTFF-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661511258 411794348 /nfs/dbraw/zinc/79/43/48/411794348.db2.gz KNWYFZKXJCSYBE-CHWSQXEVSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661511258 411794353 /nfs/dbraw/zinc/79/43/53/411794353.db2.gz KNWYFZKXJCSYBE-CHWSQXEVSA-N 1 2 248.301 1.803 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)nn1C ZINC000661168166 411727252 /nfs/dbraw/zinc/72/72/52/411727252.db2.gz LILBMVWSDWDUSF-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)nn1C ZINC000661168166 411727257 /nfs/dbraw/zinc/72/72/57/411727257.db2.gz LILBMVWSDWDUSF-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO C[C@@]1(C2CC2)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000661170133 411727344 /nfs/dbraw/zinc/72/73/44/411727344.db2.gz HWVKPQDSEIECRG-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@H]2COCCO2)o1 ZINC000661606419 411814689 /nfs/dbraw/zinc/81/46/89/411814689.db2.gz TTWVWJSDWFBINB-NSHDSACASA-N 1 2 240.303 1.084 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@H]2COCCO2)o1 ZINC000661606419 411814692 /nfs/dbraw/zinc/81/46/92/411814692.db2.gz TTWVWJSDWFBINB-NSHDSACASA-N 1 2 240.303 1.084 20 0 BDADLO Cc1nc(N[C@@H](CO)c2cccnc2)cc[nH+]1 ZINC000664023730 411817628 /nfs/dbraw/zinc/81/76/28/411817628.db2.gz AOZSBPIBNPYVLU-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO Cc1nocc1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000631438920 411817762 /nfs/dbraw/zinc/81/77/62/411817762.db2.gz ADQLAHQWINBZAE-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1nocc1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000631438920 411817765 /nfs/dbraw/zinc/81/77/65/411817765.db2.gz ADQLAHQWINBZAE-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@H+](CC(F)F)C1 ZINC000661631803 411825892 /nfs/dbraw/zinc/82/58/92/411825892.db2.gz LTPYWMLDGIFUDG-JTQLQIEISA-N 1 2 205.248 1.488 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@@H+](CC(F)F)C1 ZINC000661631803 411825896 /nfs/dbraw/zinc/82/58/96/411825896.db2.gz LTPYWMLDGIFUDG-JTQLQIEISA-N 1 2 205.248 1.488 20 0 BDADLO Cc1cnc(SC[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000664050773 411829672 /nfs/dbraw/zinc/82/96/72/411829672.db2.gz PUSATWOWALMFEV-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cc1cnc(SC[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000664050773 411829674 /nfs/dbraw/zinc/82/96/74/411829674.db2.gz PUSATWOWALMFEV-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)CC1=CCCOC1 ZINC000661655776 411830255 /nfs/dbraw/zinc/83/02/55/411830255.db2.gz NHBXJHVLDZUWKK-UHFFFAOYSA-N 1 2 248.326 1.486 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000661655776 411830259 /nfs/dbraw/zinc/83/02/59/411830259.db2.gz NHBXJHVLDZUWKK-UHFFFAOYSA-N 1 2 248.326 1.486 20 0 BDADLO Cc1cnc(C[N@H+](C)CC2=CCCOC2)nc1 ZINC000661655735 411831023 /nfs/dbraw/zinc/83/10/23/411831023.db2.gz UQDWMCVLVNYPLY-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO Cc1cnc(C[N@@H+](C)CC2=CCCOC2)nc1 ZINC000661655735 411831024 /nfs/dbraw/zinc/83/10/24/411831024.db2.gz UQDWMCVLVNYPLY-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO Cc1nc(C(F)(F)F)nn1Cc1c[nH+]cn1C ZINC000664080679 411842760 /nfs/dbraw/zinc/84/27/60/411842760.db2.gz YPDXKXLBVAGPOD-UHFFFAOYSA-N 1 2 245.208 1.387 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661701478 411848242 /nfs/dbraw/zinc/84/82/42/411848242.db2.gz ANCRKZJVUXJZNW-YWVKMMECSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661701478 411848247 /nfs/dbraw/zinc/84/82/47/411848247.db2.gz ANCRKZJVUXJZNW-YWVKMMECSA-N 1 2 239.344 1.567 20 0 BDADLO COCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661732196 411861447 /nfs/dbraw/zinc/86/14/47/411861447.db2.gz STWCWFDHGKQFIC-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661732196 411861449 /nfs/dbraw/zinc/86/14/49/411861449.db2.gz STWCWFDHGKQFIC-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1NC/C=C\CO ZINC000664238302 411893563 /nfs/dbraw/zinc/89/35/63/411893563.db2.gz XHAXLWZHPIHPID-ARJAWSKDSA-N 1 2 249.314 1.631 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC000661833812 411897065 /nfs/dbraw/zinc/89/70/65/411897065.db2.gz CUSXRLNKPLQJQX-ZJUUUORDSA-N 1 2 249.314 1.340 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C12CCC2 ZINC000661838715 411899657 /nfs/dbraw/zinc/89/96/57/411899657.db2.gz OAZLRZLQTMHULG-NXEZZACHSA-N 1 2 249.314 1.340 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000661860001 411907077 /nfs/dbraw/zinc/90/70/77/411907077.db2.gz OIVOINFIIALSGZ-NXEZZACHSA-N 1 2 223.324 1.221 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000661860001 411907083 /nfs/dbraw/zinc/90/70/83/411907083.db2.gz OIVOINFIIALSGZ-NXEZZACHSA-N 1 2 223.324 1.221 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000614740595 411911516 /nfs/dbraw/zinc/91/15/16/411911516.db2.gz FSPKAYNTCQUVNO-MYJAWHEDSA-N 1 2 246.314 1.030 20 0 BDADLO Cc1nc(NC(=O)N(C)Cc2c[nH+]c[nH]2)oc1C ZINC000664285401 411912628 /nfs/dbraw/zinc/91/26/28/411912628.db2.gz AAZJSKPTASYSTI-UHFFFAOYSA-N 1 2 249.274 1.678 20 0 BDADLO Cc1nc(NC(=O)N(C)Cc2c[nH]c[nH+]2)oc1C ZINC000664285401 411912630 /nfs/dbraw/zinc/91/26/30/411912630.db2.gz AAZJSKPTASYSTI-UHFFFAOYSA-N 1 2 249.274 1.678 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972611 411928512 /nfs/dbraw/zinc/92/85/12/411928512.db2.gz LTBHOOCGGLECHS-NXEZZACHSA-N 1 2 219.288 1.789 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972611 411928514 /nfs/dbraw/zinc/92/85/14/411928514.db2.gz LTBHOOCGGLECHS-NXEZZACHSA-N 1 2 219.288 1.789 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661977256 411932670 /nfs/dbraw/zinc/93/26/70/411932670.db2.gz XSLGFILPGNPGGX-RKDXNWHRSA-N 1 2 207.277 1.474 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661977256 411932673 /nfs/dbraw/zinc/93/26/73/411932673.db2.gz XSLGFILPGNPGGX-RKDXNWHRSA-N 1 2 207.277 1.474 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](Cc1cncs1)CC2 ZINC000623292256 411937234 /nfs/dbraw/zinc/93/72/34/411937234.db2.gz HPFDEJLOXVUJLO-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](Cc1cncs1)CC2 ZINC000623292256 411937237 /nfs/dbraw/zinc/93/72/37/411937237.db2.gz HPFDEJLOXVUJLO-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)[nH]1 ZINC000661767395 411877517 /nfs/dbraw/zinc/87/75/17/411877517.db2.gz LGKQKPWBMQEETP-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)[nH]1 ZINC000661767395 411877521 /nfs/dbraw/zinc/87/75/21/411877521.db2.gz LGKQKPWBMQEETP-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)[C@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000519676152 411881856 /nfs/dbraw/zinc/88/18/56/411881856.db2.gz KCSDWUBVLTWIJQ-LLVKDONJSA-N 1 2 246.314 1.063 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661770447 411882170 /nfs/dbraw/zinc/88/21/70/411882170.db2.gz DGODXIVPAIIACM-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661770447 411882176 /nfs/dbraw/zinc/88/21/76/411882176.db2.gz DGODXIVPAIIACM-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1cc(NC[C@H](CO)CC2CC2)nc[nH+]1 ZINC000664460758 411964993 /nfs/dbraw/zinc/96/49/93/411964993.db2.gz NZOGMDUMKSMSHF-LLVKDONJSA-N 1 2 221.304 1.606 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@H]3C[C@H]3C2)c1Cl ZINC000664525951 411977546 /nfs/dbraw/zinc/97/75/46/411977546.db2.gz RWMOOMQFTUZRNU-BQBZGAKWSA-N 1 2 224.695 1.558 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@H]3C[C@H]3C2)c1Cl ZINC000664525951 411977550 /nfs/dbraw/zinc/97/75/50/411977550.db2.gz RWMOOMQFTUZRNU-BQBZGAKWSA-N 1 2 224.695 1.558 20 0 BDADLO Cc1nc(N2CC[C@@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000664557446 411986489 /nfs/dbraw/zinc/98/64/89/411986489.db2.gz QVIZKHSXWXWLGG-MNOVXSKESA-N 1 2 219.288 1.258 20 0 BDADLO CCCCN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662100905 411987685 /nfs/dbraw/zinc/98/76/85/411987685.db2.gz NLLQYYDYAZGSFJ-SNVBAGLBSA-N 1 2 238.335 1.923 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCc3nccnc3C2)c1 ZINC000662119433 411990850 /nfs/dbraw/zinc/99/08/50/411990850.db2.gz OSQPOQNBFXOZBZ-UHFFFAOYSA-N 1 2 243.314 1.040 20 0 BDADLO Cc1cnn(CC[N@H+]2CCc3nccnc3C2)c1 ZINC000662119433 411990853 /nfs/dbraw/zinc/99/08/53/411990853.db2.gz OSQPOQNBFXOZBZ-UHFFFAOYSA-N 1 2 243.314 1.040 20 0 BDADLO COCc1cc(N[C@@H](C)c2[nH+]ccn2C)ncn1 ZINC000664608752 411998475 /nfs/dbraw/zinc/99/84/75/411998475.db2.gz LRYMUAJTSHKEQF-VIFPVBQESA-N 1 2 247.302 1.530 20 0 BDADLO Cc1cnc(N[C@@H](C)c2[nH+]ccn2C)nc1 ZINC000664609288 411998888 /nfs/dbraw/zinc/99/88/88/411998888.db2.gz XWJUMDRMZFXQMX-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO Cn1ncc2c1nc(NC1CC(C)(C)C1)[nH+]c2N ZINC000664629796 412001874 /nfs/dbraw/zinc/00/18/74/412001874.db2.gz WLMSIEAVWDUXHW-UHFFFAOYSA-N 1 2 246.318 1.546 20 0 BDADLO CC12CC(C1)CN2c1nc[nH+]c2c1OCCN2 ZINC000664694680 412011649 /nfs/dbraw/zinc/01/16/49/412011649.db2.gz HJQATZZSHGSNOX-UHFFFAOYSA-N 1 2 232.287 1.270 20 0 BDADLO CC12CC(C1)CN2c1[nH+]cnc2c1OCCN2 ZINC000664694680 412011651 /nfs/dbraw/zinc/01/16/51/412011651.db2.gz HJQATZZSHGSNOX-UHFFFAOYSA-N 1 2 232.287 1.270 20 0 BDADLO Cc1nc(N2C[C@@H]3COC[C@]3(C)C2)cc[nH+]1 ZINC000664415993 411948045 /nfs/dbraw/zinc/94/80/45/411948045.db2.gz BHHBUUODIBRXOF-PWSUYJOCSA-N 1 2 219.288 1.258 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3COC[C@H]3C2)n[nH]1 ZINC000662031398 411948359 /nfs/dbraw/zinc/94/83/59/411948359.db2.gz RSBQDGJJJQYEEB-INTQDDNPSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]3COC[C@H]3C2)n[nH]1 ZINC000662031398 411948362 /nfs/dbraw/zinc/94/83/62/411948362.db2.gz RSBQDGJJJQYEEB-INTQDDNPSA-N 1 2 236.319 1.142 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033706 411949372 /nfs/dbraw/zinc/94/93/72/411949372.db2.gz KPQPCAHUCPKTGL-IUCAKERBSA-N 1 2 225.317 1.006 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033706 411949378 /nfs/dbraw/zinc/94/93/78/411949378.db2.gz KPQPCAHUCPKTGL-IUCAKERBSA-N 1 2 225.317 1.006 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@H]2COC[C@]2(C)C1 ZINC000664419789 411949902 /nfs/dbraw/zinc/94/99/02/411949902.db2.gz VLELOFPTNMFHMF-GWCFXTLKSA-N 1 2 249.314 1.266 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831380 412028773 /nfs/dbraw/zinc/02/87/73/412028773.db2.gz CXNGSMHEFASFCB-GXSJLCMTSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831380 412028775 /nfs/dbraw/zinc/02/87/75/412028775.db2.gz CXNGSMHEFASFCB-GXSJLCMTSA-N 1 2 233.315 1.338 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833420 412029450 /nfs/dbraw/zinc/02/94/50/412029450.db2.gz LIDWRUFOCGHMHB-NWDGAFQWSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833420 412029452 /nfs/dbraw/zinc/02/94/52/412029452.db2.gz LIDWRUFOCGHMHB-NWDGAFQWSA-N 1 2 247.342 1.728 20 0 BDADLO CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828670 412029838 /nfs/dbraw/zinc/02/98/38/412029838.db2.gz JLBWLFUCAPOAHO-CYBMUJFWSA-N 1 2 247.342 1.601 20 0 BDADLO CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664828670 412029840 /nfs/dbraw/zinc/02/98/40/412029840.db2.gz JLBWLFUCAPOAHO-CYBMUJFWSA-N 1 2 247.342 1.601 20 0 BDADLO c1n[nH]c2c1C[N@@H+](CCC1CCOCC1)CCC2 ZINC000664860815 412035175 /nfs/dbraw/zinc/03/51/75/412035175.db2.gz JWLDBZYXSOHIOE-UHFFFAOYSA-N 1 2 249.358 1.975 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nc([C@H](C)OC)no1 ZINC000330244656 171024944 /nfs/dbraw/zinc/02/49/44/171024944.db2.gz KHZFCLFFGPOGGI-DTWKUNHWSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nc([C@H](C)OC)no1 ZINC000330244656 171024946 /nfs/dbraw/zinc/02/49/46/171024946.db2.gz KHZFCLFFGPOGGI-DTWKUNHWSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346115240 171034533 /nfs/dbraw/zinc/03/45/33/171034533.db2.gz UWDWRKQQEXNDKJ-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000346115240 171034536 /nfs/dbraw/zinc/03/45/36/171034536.db2.gz UWDWRKQQEXNDKJ-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000357909161 171051204 /nfs/dbraw/zinc/05/12/04/171051204.db2.gz CLBSUVXPVOFKMA-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000357909161 171051206 /nfs/dbraw/zinc/05/12/06/171051206.db2.gz CLBSUVXPVOFKMA-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)CCCO1 ZINC000331684013 171090574 /nfs/dbraw/zinc/09/05/74/171090574.db2.gz RYWINTOOWQNZRC-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)CCCO1 ZINC000331684013 171090576 /nfs/dbraw/zinc/09/05/76/171090576.db2.gz RYWINTOOWQNZRC-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC000177001635 171090602 /nfs/dbraw/zinc/09/06/02/171090602.db2.gz UGPMUXIUZPKEOV-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000270608382 171097391 /nfs/dbraw/zinc/09/73/91/171097391.db2.gz XNORQDABGZYZCI-BXKDBHETSA-N 1 2 231.299 1.770 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccon1 ZINC000265827878 171110670 /nfs/dbraw/zinc/11/06/70/171110670.db2.gz JTDHJAJFAABKDQ-GXSJLCMTSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccon1 ZINC000265827878 171110673 /nfs/dbraw/zinc/11/06/73/171110673.db2.gz JTDHJAJFAABKDQ-GXSJLCMTSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@]1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000283276887 171201748 /nfs/dbraw/zinc/20/17/48/171201748.db2.gz WACMTWRYCAYBOK-IHVVCDCBSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@H](C(N)=O)[N@H+](C)Cc1ccc(F)cc1F ZINC000263770902 171242462 /nfs/dbraw/zinc/24/24/62/171242462.db2.gz JVFIQOJAQMMOMZ-LLVKDONJSA-N 1 2 242.269 1.661 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cc1F ZINC000263770902 171242464 /nfs/dbraw/zinc/24/24/64/171242464.db2.gz JVFIQOJAQMMOMZ-LLVKDONJSA-N 1 2 242.269 1.661 20 0 BDADLO CC[C@H](C(N)=O)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120171055 171243631 /nfs/dbraw/zinc/24/36/31/171243631.db2.gz AAHYGCIYUUNODL-SNVBAGLBSA-N 1 2 243.738 1.374 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120171055 171243633 /nfs/dbraw/zinc/24/36/33/171243633.db2.gz AAHYGCIYUUNODL-SNVBAGLBSA-N 1 2 243.738 1.374 20 0 BDADLO CC[C@H](C)CN(CC)Cc1noc(C[NH3+])n1 ZINC000300952898 171278167 /nfs/dbraw/zinc/27/81/67/171278167.db2.gz ULCLUMUWPJAKMH-VIFPVBQESA-N 1 2 226.324 1.396 20 0 BDADLO CC[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000354678051 171301686 /nfs/dbraw/zinc/30/16/86/171301686.db2.gz UHDBBGDLMBYCCN-VIFPVBQESA-N 1 2 209.293 1.599 20 0 BDADLO CC[C@H](C)N(OC)C(=O)CCc1[nH]cc[nH+]1 ZINC000288162649 171316869 /nfs/dbraw/zinc/31/68/69/171316869.db2.gz MDABUZUCRJXYBY-VIFPVBQESA-N 1 2 225.292 1.531 20 0 BDADLO CC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330979713 171321516 /nfs/dbraw/zinc/32/15/16/171321516.db2.gz WYNDXQBYPAJJBT-QMMMGPOBSA-N 1 2 209.293 1.602 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1occc1C ZINC000292432510 171324134 /nfs/dbraw/zinc/32/41/34/171324134.db2.gz WFRWVPOEUDJHHX-NSHDSACASA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1occc1C ZINC000292432510 171324136 /nfs/dbraw/zinc/32/41/36/171324136.db2.gz WFRWVPOEUDJHHX-NSHDSACASA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000340895631 171325225 /nfs/dbraw/zinc/32/52/25/171325225.db2.gz VBLCHFYRKRZAMR-WCQYABFASA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000340895631 171325228 /nfs/dbraw/zinc/32/52/28/171325228.db2.gz VBLCHFYRKRZAMR-WCQYABFASA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000331054470 171380625 /nfs/dbraw/zinc/38/06/25/171380625.db2.gz KAFNNGUSRSCIMP-WCBMZHEXSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000356545171 171383994 /nfs/dbraw/zinc/38/39/94/171383994.db2.gz GDXVLOKTGOIJDI-IUCAKERBSA-N 1 2 222.288 1.830 20 0 BDADLO CC[C@H](C)[C@H](CNc1cc(C)[nH+]cn1)OC ZINC000362976714 171392064 /nfs/dbraw/zinc/39/20/64/171392064.db2.gz LNNRPAKRHSFJMM-ONGXEEELSA-N 1 2 223.320 1.680 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000665105438 412096093 /nfs/dbraw/zinc/09/60/93/412096093.db2.gz UJIIXRQOZGDECV-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO O=C1CCCN1[C@@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000665252875 412195144 /nfs/dbraw/zinc/19/51/44/412195144.db2.gz PTMKYMDOJRYUOM-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO O=C1CCCN1[C@@H]1CCC[N@H+](CC(F)F)CC1 ZINC000665252875 412195149 /nfs/dbraw/zinc/19/51/49/412195149.db2.gz PTMKYMDOJRYUOM-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C(=O)OC ZINC000336697706 171543237 /nfs/dbraw/zinc/54/32/37/171543237.db2.gz UWKPBCUYGJVTNY-VGMNWLOBSA-N 1 2 217.334 1.422 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1ncn(C)n1 ZINC000515415536 412327744 /nfs/dbraw/zinc/32/77/44/412327744.db2.gz UBCNNAWDIIWDKS-UHFFFAOYSA-N 1 2 220.280 1.205 20 0 BDADLO COCCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488386345 412358384 /nfs/dbraw/zinc/35/83/84/412358384.db2.gz NLGYECIOPDRWAD-UHFFFAOYSA-N 1 2 239.323 1.085 20 0 BDADLO COCCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488386345 412358388 /nfs/dbraw/zinc/35/83/88/412358388.db2.gz NLGYECIOPDRWAD-UHFFFAOYSA-N 1 2 239.323 1.085 20 0 BDADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(N)=O)cs1 ZINC000183071367 172001932 /nfs/dbraw/zinc/00/19/32/172001932.db2.gz YRUVZPJGTIKVRF-RNFRBKRXSA-N 1 2 227.333 1.230 20 0 BDADLO CCc1nc([C@@H]2CCC[N@@H+]2C[C@@H](C)O)no1 ZINC000369390151 172004941 /nfs/dbraw/zinc/00/49/41/172004941.db2.gz XDDOMHTWEJPYSZ-BDAKNGLRSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nc([C@@H]2CCC[N@H+]2C[C@@H](C)O)no1 ZINC000369390151 172004944 /nfs/dbraw/zinc/00/49/44/172004944.db2.gz XDDOMHTWEJPYSZ-BDAKNGLRSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccnn2C)[nH]1 ZINC000278783080 172007632 /nfs/dbraw/zinc/00/76/32/172007632.db2.gz PZLJJRLXNPZGGX-BDAKNGLRSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nc([C@H]2CCC[N@@H+]2C[C@@H](C)O)no1 ZINC000369390154 172008301 /nfs/dbraw/zinc/00/83/01/172008301.db2.gz XDDOMHTWEJPYSZ-RKDXNWHRSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nc([C@H]2CCC[N@H+]2C[C@@H](C)O)no1 ZINC000369390154 172008303 /nfs/dbraw/zinc/00/83/03/172008303.db2.gz XDDOMHTWEJPYSZ-RKDXNWHRSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nc([C@H]2CCCN2Cc2c[nH+]c[nH]2)no1 ZINC000371382265 172009459 /nfs/dbraw/zinc/00/94/59/172009459.db2.gz IFOTWIDBNVXILR-SNVBAGLBSA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nc([C@H]2CCCN2Cc2c[nH]c[nH+]2)no1 ZINC000371382265 172009461 /nfs/dbraw/zinc/00/94/61/172009461.db2.gz IFOTWIDBNVXILR-SNVBAGLBSA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCSC)o1 ZINC000336698783 172048990 /nfs/dbraw/zinc/04/89/90/172048990.db2.gz SVOTXVTXMCMVEL-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCSC)o1 ZINC000336698783 172048992 /nfs/dbraw/zinc/04/89/92/172048992.db2.gz SVOTXVTXMCMVEL-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](CC)CCO)o1 ZINC000305192589 172063296 /nfs/dbraw/zinc/06/32/96/172063296.db2.gz KJYSUNXNWSKBRL-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](CC)CCO)o1 ZINC000305192589 172063300 /nfs/dbraw/zinc/06/33/00/172063300.db2.gz KJYSUNXNWSKBRL-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1cc[nH]n1 ZINC000292872291 172078609 /nfs/dbraw/zinc/07/86/09/172078609.db2.gz DHMYTDBLXITFFZ-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000187815574 172090862 /nfs/dbraw/zinc/09/08/62/172090862.db2.gz HMMHURKDDQFEFD-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000187815574 172090865 /nfs/dbraw/zinc/09/08/65/172090865.db2.gz HMMHURKDDQFEFD-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000273403945 172091864 /nfs/dbraw/zinc/09/18/64/172091864.db2.gz RKCYMXDRIOFCFF-BDAKNGLRSA-N 1 2 249.318 1.777 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000274030759 172092375 /nfs/dbraw/zinc/09/23/75/172092375.db2.gz MKOCGBHVABDFJT-YUMQZZPRSA-N 1 2 235.291 1.767 20 0 BDADLO CCc1nocc1C[NH2+]Cc1ncnn1CC ZINC000339382228 172101350 /nfs/dbraw/zinc/10/13/50/172101350.db2.gz PNMRRIOREFVKCU-UHFFFAOYSA-N 1 2 235.291 1.138 20 0 BDADLO CCc1onc(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000356595335 172124867 /nfs/dbraw/zinc/12/48/67/172124867.db2.gz OLHXXWZHLQRJNT-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CCn1c(C)nnc1C[N@@H+]1CCC12CCC2 ZINC000336555937 172138878 /nfs/dbraw/zinc/13/88/78/172138878.db2.gz LUDXWTGYZNKAIS-UHFFFAOYSA-N 1 2 220.320 1.735 20 0 BDADLO CCn1c(C)nnc1C[N@H+]1CCC12CCC2 ZINC000336555937 172138881 /nfs/dbraw/zinc/13/88/81/172138881.db2.gz LUDXWTGYZNKAIS-UHFFFAOYSA-N 1 2 220.320 1.735 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000190034943 172164939 /nfs/dbraw/zinc/16/49/39/172164939.db2.gz HUDWPXKGOWIKRK-ZDUSSCGKSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000190034943 172164941 /nfs/dbraw/zinc/16/49/41/172164941.db2.gz HUDWPXKGOWIKRK-ZDUSSCGKSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000336380706 172164992 /nfs/dbraw/zinc/16/49/92/172164992.db2.gz KHSAKPZVXSGOGS-QWHCGFSZSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000336380706 172164994 /nfs/dbraw/zinc/16/49/94/172164994.db2.gz KHSAKPZVXSGOGS-QWHCGFSZSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](C)C1 ZINC000195514199 172220003 /nfs/dbraw/zinc/22/00/03/172220003.db2.gz FUHRUMHASKLJRP-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@@H](C)C1 ZINC000336303974 172221912 /nfs/dbraw/zinc/22/19/12/172221912.db2.gz DWYCGGLQNCAXJI-SNVBAGLBSA-N 1 2 236.319 1.454 20 0 BDADLO CCn1cc[nH+]c1CN1CCn2cnnc2[C@H]1C ZINC000361654493 172222488 /nfs/dbraw/zinc/22/24/88/172222488.db2.gz LCDWZEAAZWPJEH-SNVBAGLBSA-N 1 2 246.318 1.071 20 0 BDADLO CCn1cc[nH+]c1CN[C@@H](C)c1ccon1 ZINC000309974773 172223440 /nfs/dbraw/zinc/22/34/40/172223440.db2.gz RXGSNDUIHPIFLN-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc[nH+]c1CNc1ncc(C)c(C)n1 ZINC000295051974 172225480 /nfs/dbraw/zinc/22/54/80/172225480.db2.gz UPHRHECNPJTVGL-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCn1cc[nH+]c1CNc1nnc(C)o1 ZINC000270443658 172226541 /nfs/dbraw/zinc/22/65/41/172226541.db2.gz ASEUCXYWXZSXNJ-UHFFFAOYSA-N 1 2 207.237 1.207 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000119526801 172269170 /nfs/dbraw/zinc/26/91/70/172269170.db2.gz AIVOGBXMLPCQDV-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000119526801 172269171 /nfs/dbraw/zinc/26/91/71/172269171.db2.gz AIVOGBXMLPCQDV-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1ncnc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000331528947 172279434 /nfs/dbraw/zinc/27/94/34/172279434.db2.gz SBFLRJQQADLIAE-UHFFFAOYSA-N 1 2 238.335 1.033 20 0 BDADLO CCn1ncnc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000331528947 172279437 /nfs/dbraw/zinc/27/94/37/172279437.db2.gz SBFLRJQQADLIAE-UHFFFAOYSA-N 1 2 238.335 1.033 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000359052104 172282981 /nfs/dbraw/zinc/28/29/81/172282981.db2.gz FPTRXGUEWCYOEP-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CN(C(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000114932233 172318993 /nfs/dbraw/zinc/31/89/93/172318993.db2.gz XBXUWXMAOVJFSL-UHFFFAOYSA-N 1 2 248.330 1.687 20 0 BDADLO CN(C(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000177754892 172321534 /nfs/dbraw/zinc/32/15/34/172321534.db2.gz ZBPRGAYSSMEJNC-UHFFFAOYSA-N 1 2 244.298 1.638 20 0 BDADLO CN(C)C(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180273195 172364496 /nfs/dbraw/zinc/36/44/96/172364496.db2.gz FEWXZWNYUSTWQR-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN(C)C(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180273195 172364498 /nfs/dbraw/zinc/36/44/98/172364498.db2.gz FEWXZWNYUSTWQR-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ncc(F)cn1 ZINC000269473642 172722813 /nfs/dbraw/zinc/72/28/13/172722813.db2.gz JUTIOXZZFRTJIT-UHFFFAOYSA-N 1 2 235.266 1.339 20 0 BDADLO C[N@H+](CCc1cnccn1)Cc1nccs1 ZINC000271307360 172795006 /nfs/dbraw/zinc/79/50/06/172795006.db2.gz GZVFHOBHHOSXTI-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1cnccn1)Cc1nccs1 ZINC000271307360 172795008 /nfs/dbraw/zinc/79/50/08/172795008.db2.gz GZVFHOBHHOSXTI-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[NH+]1CCN(C(=O)c2coc3ccccc23)CC1 ZINC000078637415 173073007 /nfs/dbraw/zinc/07/30/07/173073007.db2.gz QIRQNAFUPFPQSG-UHFFFAOYSA-N 1 2 244.294 1.820 20 0 BDADLO C[NH+]1CCN(C(=O)c2csc(Cl)n2)CC1 ZINC000274476846 173073617 /nfs/dbraw/zinc/07/36/17/173073617.db2.gz MBKAPUIURSEWRI-UHFFFAOYSA-N 1 2 245.735 1.184 20 0 BDADLO CN1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1=O ZINC000291186183 173091641 /nfs/dbraw/zinc/09/16/41/173091641.db2.gz ORNPVXMKZYRYLM-CHWSQXEVSA-N 1 2 230.311 1.317 20 0 BDADLO CN1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1=O ZINC000291186183 173091643 /nfs/dbraw/zinc/09/16/43/173091643.db2.gz ORNPVXMKZYRYLM-CHWSQXEVSA-N 1 2 230.311 1.317 20 0 BDADLO CN1CC[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1=O ZINC000301574939 173156650 /nfs/dbraw/zinc/15/66/50/173156650.db2.gz LZAPRVOJDHAGGJ-VIFPVBQESA-N 1 2 248.330 1.417 20 0 BDADLO C[N@@H+]1CCc2ncnc(NCC(F)F)c2C1 ZINC000267707973 173174429 /nfs/dbraw/zinc/17/44/29/173174429.db2.gz SKSOOJGJRZJTEO-UHFFFAOYSA-N 1 2 228.246 1.142 20 0 BDADLO C[N@H+]1CCc2ncnc(NCC(F)F)c2C1 ZINC000267707973 173174434 /nfs/dbraw/zinc/17/44/34/173174434.db2.gz SKSOOJGJRZJTEO-UHFFFAOYSA-N 1 2 228.246 1.142 20 0 BDADLO C[N@@H+]1Cc2cccc(NS(C)(=O)=O)c2C1 ZINC000284090498 173201946 /nfs/dbraw/zinc/20/19/46/173201946.db2.gz NYLUWIFLFQFUEO-UHFFFAOYSA-N 1 2 226.301 1.004 20 0 BDADLO C[N@H+]1Cc2cccc(NS(C)(=O)=O)c2C1 ZINC000284090498 173201949 /nfs/dbraw/zinc/20/19/49/173201949.db2.gz NYLUWIFLFQFUEO-UHFFFAOYSA-N 1 2 226.301 1.004 20 0 BDADLO CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177561761 173285391 /nfs/dbraw/zinc/28/53/91/173285391.db2.gz YTLYZAOOZCFAEA-NXEZZACHSA-N 1 2 222.292 1.105 20 0 BDADLO CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000172220315 173285463 /nfs/dbraw/zinc/28/54/63/173285463.db2.gz FMGYUEKFOZZXCP-NSHDSACASA-N 1 2 248.330 1.100 20 0 BDADLO CNC(=O)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000309401217 173295824 /nfs/dbraw/zinc/29/58/24/173295824.db2.gz AAVHKZXASSYHMW-MRVPVSSYSA-N 1 2 222.292 1.146 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC000049000688 173299186 /nfs/dbraw/zinc/29/91/86/173299186.db2.gz HOCJWRLSKBUCAP-JTQLQIEISA-N 1 2 237.303 1.002 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nc(C)c(C)o1 ZINC000049000688 173299187 /nfs/dbraw/zinc/29/91/87/173299187.db2.gz HOCJWRLSKBUCAP-JTQLQIEISA-N 1 2 237.303 1.002 20 0 BDADLO CNC(=O)[C@@]1(C)CCN(c2cccc[nH+]2)C1 ZINC000282096987 173300632 /nfs/dbraw/zinc/30/06/32/173300632.db2.gz XOVVGJXVJDPPPI-LBPRGKRZSA-N 1 2 219.288 1.044 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)no1 ZINC000170910387 173305844 /nfs/dbraw/zinc/30/58/44/173305844.db2.gz GQXOZAZTQZVQJN-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)no1 ZINC000170910387 173305845 /nfs/dbraw/zinc/30/58/45/173305845.db2.gz GQXOZAZTQZVQJN-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@@H]1CCSC1 ZINC000037085277 173507544 /nfs/dbraw/zinc/50/75/44/173507544.db2.gz CCPOMMSUIYPIDZ-SSDOTTSWSA-N 1 2 203.307 1.033 20 0 BDADLO COCC(C)(C)CNc1cccc(CO)[nH+]1 ZINC000309954770 174076460 /nfs/dbraw/zinc/07/64/60/174076460.db2.gz HSOSYKYBUNOKAG-UHFFFAOYSA-N 1 2 224.304 1.658 20 0 BDADLO COCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000339938826 174083642 /nfs/dbraw/zinc/08/36/42/174083642.db2.gz ZXNINTDXJZRIRP-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000361500440 174280600 /nfs/dbraw/zinc/28/06/00/174280600.db2.gz DTHMLUIOQMKCTG-UHFFFAOYSA-N 1 2 226.324 1.111 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000361500440 174280602 /nfs/dbraw/zinc/28/06/02/174280602.db2.gz DTHMLUIOQMKCTG-UHFFFAOYSA-N 1 2 226.324 1.111 20 0 BDADLO COCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000110253701 174283483 /nfs/dbraw/zinc/28/34/83/174283483.db2.gz ZHMVUOKXSPIWAT-UHFFFAOYSA-N 1 2 207.277 1.437 20 0 BDADLO COCC[N@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000312981233 174286223 /nfs/dbraw/zinc/28/62/23/174286223.db2.gz QEZWYOXISPIDQA-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COCC[N@@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000312981233 174286225 /nfs/dbraw/zinc/28/62/25/174286225.db2.gz QEZWYOXISPIDQA-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COCC[N@H+](CCCCCO)CC(F)F ZINC000103558969 174291482 /nfs/dbraw/zinc/29/14/82/174291482.db2.gz JOPKWRZMGBQTLI-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO COCC[N@@H+](CCCCCO)CC(F)F ZINC000103558969 174291484 /nfs/dbraw/zinc/29/14/84/174291484.db2.gz JOPKWRZMGBQTLI-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO COCC[NH+](CCOC)Cc1nc(C)cs1 ZINC000129211954 174296760 /nfs/dbraw/zinc/29/67/60/174296760.db2.gz LRVJIHROAVMHHI-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO COCCOCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337534916 174353378 /nfs/dbraw/zinc/35/33/78/174353378.db2.gz XEORJDZIZCLBTQ-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO COCCOCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337534916 174353380 /nfs/dbraw/zinc/35/33/80/174353380.db2.gz XEORJDZIZCLBTQ-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO COCCSCCCn1cc[nH+]c1 ZINC000180438116 174375029 /nfs/dbraw/zinc/37/50/29/174375029.db2.gz PEVXSUBSYOUDOD-UHFFFAOYSA-N 1 2 200.307 1.653 20 0 BDADLO COCC[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171170563 174382497 /nfs/dbraw/zinc/38/24/97/174382497.db2.gz NBRGXUAMTKMOPV-SNVBAGLBSA-N 1 2 247.298 1.489 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C)no1 ZINC000291359123 174397926 /nfs/dbraw/zinc/39/79/26/174397926.db2.gz YRRJCAHNJMUWLM-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1cc(C)no1 ZINC000291359123 174397927 /nfs/dbraw/zinc/39/79/27/174397927.db2.gz YRRJCAHNJMUWLM-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1conc1C ZINC000293772636 174398499 /nfs/dbraw/zinc/39/84/99/174398499.db2.gz BHDZVOCSRLBHRB-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1conc1C ZINC000293772636 174398496 /nfs/dbraw/zinc/39/84/96/174398496.db2.gz BHDZVOCSRLBHRB-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357117345 174762605 /nfs/dbraw/zinc/76/26/05/174762605.db2.gz OGGWPSRGYJDTGI-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO COc1cc(C[NH2+]Cc2cc[nH]n2)ccn1 ZINC000062058029 174984154 /nfs/dbraw/zinc/98/41/54/174984154.db2.gz UXCLGQRPHOCUAA-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000360176262 175055159 /nfs/dbraw/zinc/05/51/59/175055159.db2.gz UEMZLHYFWMYWNQ-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cnn[nH]1 ZINC000296398504 175078959 /nfs/dbraw/zinc/07/89/59/175078959.db2.gz VNRNWORGUFIIOY-SNVBAGLBSA-N 1 2 246.314 1.973 20 0 BDADLO COc1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)cn1 ZINC000339185603 175105144 /nfs/dbraw/zinc/10/51/44/175105144.db2.gz UVNSIHQPLOXBPB-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)no2)cc1O ZINC000044985413 175107861 /nfs/dbraw/zinc/10/78/61/175107861.db2.gz AJXBGXDFORJMBM-UHFFFAOYSA-N 1 2 248.282 1.987 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)c(OC)c1 ZINC000237251883 175107934 /nfs/dbraw/zinc/10/79/34/175107934.db2.gz OSYUDLNXBJBEGF-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO COc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000036901876 175108744 /nfs/dbraw/zinc/10/87/44/175108744.db2.gz ZTPKVZXHDNVLDY-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)c(OC)n1 ZINC000289579443 175108747 /nfs/dbraw/zinc/10/87/47/175108747.db2.gz MHLSZKWYTUBJER-UHFFFAOYSA-N 1 2 249.270 1.377 20 0 BDADLO COc1cccc(C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000036946679 175242292 /nfs/dbraw/zinc/24/22/92/175242292.db2.gz VTEPKHBQOLUYBN-UHFFFAOYSA-N 1 2 216.240 1.844 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2cnn[nH]2)c1 ZINC000296256450 175286892 /nfs/dbraw/zinc/28/68/92/175286892.db2.gz JEBNCAAWDFTXER-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2c[nH]nn2)c1 ZINC000296256450 175286894 /nfs/dbraw/zinc/28/68/94/175286894.db2.gz JEBNCAAWDFTXER-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000090969609 175293596 /nfs/dbraw/zinc/29/35/96/175293596.db2.gz PBZGWSQCZGJAGT-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccccc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282792567 175325552 /nfs/dbraw/zinc/32/55/52/175325552.db2.gz RIPXTBBIVOXMAX-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccccc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282792567 175325554 /nfs/dbraw/zinc/32/55/54/175325554.db2.gz RIPXTBBIVOXMAX-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CC1(C)C ZINC000293214948 175372492 /nfs/dbraw/zinc/37/24/92/175372492.db2.gz BWXQYWBDDSDOAI-SNVBAGLBSA-N 1 2 234.299 1.753 20 0 BDADLO COc1cc[nH+]cc1Cn1ccccc1=O ZINC000335556864 175373656 /nfs/dbraw/zinc/37/36/56/175373656.db2.gz IRIIEQKDFJCGRZ-UHFFFAOYSA-N 1 2 216.240 1.300 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CO[C@H](C)C1 ZINC000330989114 175375205 /nfs/dbraw/zinc/37/52/05/175375205.db2.gz GWTDCBYMTJKKFM-RKDXNWHRSA-N 1 2 236.271 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cn[nH]c1 ZINC000353894709 175375991 /nfs/dbraw/zinc/37/59/91/175375991.db2.gz JHEKHKRGAMHGJT-UHFFFAOYSA-N 1 2 218.216 1.066 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@](C)(O)C(C)C ZINC000331011693 175376229 /nfs/dbraw/zinc/37/62/29/175376229.db2.gz FGZHXDARWZVAQW-GFCCVEGCSA-N 1 2 238.287 1.436 20 0 BDADLO COc1ccsc1CN1CCn2c[nH+]cc2C1 ZINC000291528556 175378809 /nfs/dbraw/zinc/37/88/09/175378809.db2.gz JWWDOJGWZAICHB-UHFFFAOYSA-N 1 2 249.339 1.969 20 0 BDADLO COc1nc(C)cc(C)c1C[NH+]1CCOCC1 ZINC000287355014 175390010 /nfs/dbraw/zinc/39/00/10/175390010.db2.gz PJGNLADNLMIYPR-UHFFFAOYSA-N 1 2 236.315 1.539 20 0 BDADLO COc1ncc(C[NH2+][C@H](C)c2ccon2)c(C)n1 ZINC000337207282 175398962 /nfs/dbraw/zinc/39/89/62/175398962.db2.gz OHDMCEHTWUUFER-SECBINFHSA-N 1 2 248.286 1.632 20 0 BDADLO CS[C@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000270101406 175559034 /nfs/dbraw/zinc/55/90/34/175559034.db2.gz BPEAVDRTRFRHOH-VHSXEESVSA-N 1 2 241.360 1.529 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCc3[nH]ncc3C2)c1 ZINC000668839996 487631627 /nfs/dbraw/zinc/63/16/27/487631627.db2.gz AFNBGIYANDDNHT-UHFFFAOYSA-N 1 2 230.315 1.697 20 0 BDADLO Cn1ccc(C[N@H+]2CCCc3[nH]ncc3C2)c1 ZINC000668839996 487631630 /nfs/dbraw/zinc/63/16/30/487631630.db2.gz AFNBGIYANDDNHT-UHFFFAOYSA-N 1 2 230.315 1.697 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)NC1CC1 ZINC000128112922 176026897 /nfs/dbraw/zinc/02/68/97/176026897.db2.gz PONWIIWWPLMWCP-JTQLQIEISA-N 1 2 233.315 1.353 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)NC1CC1 ZINC000128112922 176026898 /nfs/dbraw/zinc/02/68/98/176026898.db2.gz PONWIIWWPLMWCP-JTQLQIEISA-N 1 2 233.315 1.353 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCn2cnnc2C1 ZINC000357614984 176030008 /nfs/dbraw/zinc/03/00/08/176030008.db2.gz NEVACFZWGVSQJS-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCn2cnnc2C1 ZINC000357614984 176030010 /nfs/dbraw/zinc/03/00/10/176030010.db2.gz NEVACFZWGVSQJS-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)CCc1ccccn1 ZINC000287799517 176039039 /nfs/dbraw/zinc/03/90/39/176039039.db2.gz OKLOFNNBTIQQFH-NSHDSACASA-N 1 2 245.330 1.446 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)CCc1ccccn1 ZINC000287799517 176039042 /nfs/dbraw/zinc/03/90/42/176039042.db2.gz OKLOFNNBTIQQFH-NSHDSACASA-N 1 2 245.330 1.446 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCc2ccsc2C1 ZINC000287918392 176040436 /nfs/dbraw/zinc/04/04/36/176040436.db2.gz WABJDOQCRSDWLW-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCc2ccsc2C1 ZINC000287918392 176040439 /nfs/dbraw/zinc/04/04/39/176040439.db2.gz WABJDOQCRSDWLW-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000377463635 176067395 /nfs/dbraw/zinc/06/73/95/176067395.db2.gz GOXJQZSVMAKEQO-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000287794106 176092200 /nfs/dbraw/zinc/09/22/00/176092200.db2.gz WDXWIAZLYGASAE-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000029594109 176121837 /nfs/dbraw/zinc/12/18/37/176121837.db2.gz HOJKTGIQLHIUCV-IJLUTSLNSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000276656354 176155183 /nfs/dbraw/zinc/15/51/83/176155183.db2.gz XJFYGRKQSJHECU-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)[C@@H]1C ZINC000177873954 176168131 /nfs/dbraw/zinc/16/81/31/176168131.db2.gz MFFMFIYQFZFELU-HTQZYQBOSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)[C@@H]1C ZINC000177873954 176168132 /nfs/dbraw/zinc/16/81/32/176168132.db2.gz MFFMFIYQFZFELU-HTQZYQBOSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1CCO[C@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378521507 176193789 /nfs/dbraw/zinc/19/37/89/176193789.db2.gz QARMVVHTMKNLGR-GMTAPVOTSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000287907981 176197381 /nfs/dbraw/zinc/19/73/81/176197381.db2.gz FVCMHTOCGOYWRU-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ncn(C)n1 ZINC000309533115 176206521 /nfs/dbraw/zinc/20/65/21/176206521.db2.gz DPSIGNFRWXRMCF-BBBLOLIVSA-N 1 2 224.308 1.033 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000336681935 176231648 /nfs/dbraw/zinc/23/16/48/176231648.db2.gz YHCRLBBARUMHOL-MNOVXSKESA-N 1 2 221.304 1.578 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccn1C ZINC000334555750 176239428 /nfs/dbraw/zinc/23/94/28/176239428.db2.gz SLKSCAPJWKCDGC-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccn1C ZINC000334555750 176239429 /nfs/dbraw/zinc/23/94/29/176239429.db2.gz SLKSCAPJWKCDGC-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@H]1C ZINC000267751480 176251508 /nfs/dbraw/zinc/25/15/08/176251508.db2.gz PJXIAHSFQDOZDL-NXEZZACHSA-N 1 2 236.319 1.218 20 0 BDADLO C[C@@H]1C[NH+](CCOC(C)(C)C)C[C@@H](C)S1=O ZINC000362067397 176292777 /nfs/dbraw/zinc/29/27/77/176292777.db2.gz QNSWSNGUFRYDLE-GHMZBOCLSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccccc2F)CC(=O)N1 ZINC000295043970 176293644 /nfs/dbraw/zinc/29/36/44/176293644.db2.gz OYHQYFANWQHQQQ-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccccc2F)CC(=O)N1 ZINC000295043970 176293647 /nfs/dbraw/zinc/29/36/47/176293647.db2.gz OYHQYFANWQHQQQ-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000283915455 176296609 /nfs/dbraw/zinc/29/66/09/176296609.db2.gz GEYNBYUENRGUON-SECBINFHSA-N 1 2 212.318 1.406 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCC1=O ZINC000307944730 176295763 /nfs/dbraw/zinc/29/57/63/176295763.db2.gz HHCVNKGPCZJVJM-SFYZADRCSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCC1=O ZINC000307944730 176295766 /nfs/dbraw/zinc/29/57/66/176295766.db2.gz HHCVNKGPCZJVJM-SFYZADRCSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000283915455 176296607 /nfs/dbraw/zinc/29/66/07/176296607.db2.gz GEYNBYUENRGUON-SECBINFHSA-N 1 2 212.318 1.406 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2)CC[S@](=O)C1 ZINC000277497718 176309323 /nfs/dbraw/zinc/30/93/23/176309323.db2.gz NSJGYKRRDREATD-BZNIZROVSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2)CC[S@](=O)C1 ZINC000277497718 176309325 /nfs/dbraw/zinc/30/93/25/176309325.db2.gz NSJGYKRRDREATD-BZNIZROVSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)CC[S@@](=O)C1 ZINC000277392815 176310395 /nfs/dbraw/zinc/31/03/95/176310395.db2.gz HCEYTHUZUHEFBV-RFAUZJTJSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)CC[S@@](=O)C1 ZINC000277392815 176310396 /nfs/dbraw/zinc/31/03/96/176310396.db2.gz HCEYTHUZUHEFBV-RFAUZJTJSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@@H]1C[NH+](Cc2ncc[nH]2)C[C@@H](C)S1 ZINC000336561320 176311853 /nfs/dbraw/zinc/31/18/53/176311853.db2.gz QVPFUIQMNADNQO-RKDXNWHRSA-N 1 2 211.334 1.736 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(=O)N1C ZINC000283679843 176320434 /nfs/dbraw/zinc/32/04/34/176320434.db2.gz ZCJHZGLFHGUEQW-SECBINFHSA-N 1 2 244.298 1.230 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000336629499 176332750 /nfs/dbraw/zinc/33/27/50/176332750.db2.gz BNZNVFKPABKSEM-VIFPVBQESA-N 1 2 245.273 1.747 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000336629499 176332751 /nfs/dbraw/zinc/33/27/51/176332751.db2.gz BNZNVFKPABKSEM-VIFPVBQESA-N 1 2 245.273 1.747 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C/C=C\c1ccccc1 ZINC000310560087 176347239 /nfs/dbraw/zinc/34/72/39/176347239.db2.gz KGEGJHAFKNTPMX-VZFGUZNESA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C/C=C\c1ccccc1 ZINC000310560087 176347241 /nfs/dbraw/zinc/34/72/41/176347241.db2.gz KGEGJHAFKNTPMX-VZFGUZNESA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279197649 176359853 /nfs/dbraw/zinc/35/98/53/176359853.db2.gz MFMMFBMOVIDCRG-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000361696868 176385111 /nfs/dbraw/zinc/38/51/11/176385111.db2.gz SZVBYPUTHGBVGB-OUAUKWLOSA-N 1 2 233.315 1.740 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000354207509 176389993 /nfs/dbraw/zinc/38/99/93/176389993.db2.gz WLTMONNHRSOWIU-RKDXNWHRSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000355208581 176390214 /nfs/dbraw/zinc/39/02/14/176390214.db2.gz URWWNQDNWMLLTN-GRYCIOLGSA-N 1 2 247.342 1.923 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC(C)(C)C ZINC000336900025 176899705 /nfs/dbraw/zinc/89/97/05/176899705.db2.gz RQLLQMYCYKQHGL-VHSXEESVSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H](O)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000112553740 176973856 /nfs/dbraw/zinc/97/38/56/176973856.db2.gz SKLURSPTAWVLBU-QMMMGPOBSA-N 1 2 207.277 1.171 20 0 BDADLO C[C@H](O)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000162649466 177016025 /nfs/dbraw/zinc/01/60/25/177016025.db2.gz PGMHUQUAIFTTJW-UWVGGRQHSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@H](c1c(F)cccc1F)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278802632 177032313 /nfs/dbraw/zinc/03/23/13/177032313.db2.gz OSNMHTIKTGIXAA-GGVZMXCHSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)NCC1CC1 ZINC000179143258 177042278 /nfs/dbraw/zinc/04/22/78/177042278.db2.gz NRSCPXIFWKJKBJ-LLVKDONJSA-N 1 2 247.342 1.601 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)NCC1CC1 ZINC000179143258 177042280 /nfs/dbraw/zinc/04/22/80/177042280.db2.gz NRSCPXIFWKJKBJ-LLVKDONJSA-N 1 2 247.342 1.601 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CCC1 ZINC000271093726 177042908 /nfs/dbraw/zinc/04/29/08/177042908.db2.gz XRXFESZZSQDAGD-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCC1 ZINC000271093726 177042910 /nfs/dbraw/zinc/04/29/10/177042910.db2.gz XRXFESZZSQDAGD-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)Cc1cn(C)nn1 ZINC000336701039 177045164 /nfs/dbraw/zinc/04/51/64/177045164.db2.gz KVVHCUICFPHEOQ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336701039 177045166 /nfs/dbraw/zinc/04/51/66/177045166.db2.gz KVVHCUICFPHEOQ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCC1CC1 ZINC000122937762 177048115 /nfs/dbraw/zinc/04/81/15/177048115.db2.gz FZTSJPAHYOMCJX-SNVBAGLBSA-N 1 2 236.315 1.799 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCC1CC1 ZINC000122937762 177048117 /nfs/dbraw/zinc/04/81/17/177048117.db2.gz FZTSJPAHYOMCJX-SNVBAGLBSA-N 1 2 236.315 1.799 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nccc(N)n1 ZINC000091988598 177049814 /nfs/dbraw/zinc/04/98/14/177049814.db2.gz IVADXVLOIDBQBC-SNVBAGLBSA-N 1 2 243.314 1.647 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nccc(N)n1 ZINC000091988598 177049815 /nfs/dbraw/zinc/04/98/15/177049815.db2.gz IVADXVLOIDBQBC-SNVBAGLBSA-N 1 2 243.314 1.647 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](O)C1 ZINC000049066926 177052879 /nfs/dbraw/zinc/05/28/79/177052879.db2.gz KSHSBIZCRJSQGL-SCZZXKLOSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](O)C1 ZINC000049066926 177052881 /nfs/dbraw/zinc/05/28/81/177052881.db2.gz KSHSBIZCRJSQGL-SCZZXKLOSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000279291582 177071916 /nfs/dbraw/zinc/07/19/16/177071916.db2.gz YECZFJFRCULDPS-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO C[C@H]1CCCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000362959298 177076620 /nfs/dbraw/zinc/07/66/20/177076620.db2.gz XJOVXEADUJPAHP-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO C[C@H]1CCCC[N@H+]1Cc1ncnn1CC(F)F ZINC000362959298 177076624 /nfs/dbraw/zinc/07/66/24/177076624.db2.gz XJOVXEADUJPAHP-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000280308991 177092286 /nfs/dbraw/zinc/09/22/86/177092286.db2.gz YFOYVVZSERQTJJ-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000043311563 177092557 /nfs/dbraw/zinc/09/25/57/177092557.db2.gz FBHDZSCSIOYZTI-NSHDSACASA-N 1 2 236.319 1.325 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000340863041 177103737 /nfs/dbraw/zinc/10/37/37/177103737.db2.gz APVVOUCXBDNMGM-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000340863041 177103738 /nfs/dbraw/zinc/10/37/38/177103738.db2.gz APVVOUCXBDNMGM-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000339520398 177139678 /nfs/dbraw/zinc/13/96/78/177139678.db2.gz XGKKRXQIQVJZOA-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000105067126 177141510 /nfs/dbraw/zinc/14/15/10/177141510.db2.gz RCUUIQHAUJXVKH-WDEREUQCSA-N 1 2 236.319 1.371 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291015182 177141644 /nfs/dbraw/zinc/14/16/44/177141644.db2.gz NMAYNTLZMSQLAR-CMPLNLGQSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000289230981 177146979 /nfs/dbraw/zinc/14/69/79/177146979.db2.gz OKROCBLNVFPQDR-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000264540384 177153949 /nfs/dbraw/zinc/15/39/49/177153949.db2.gz LZYRUNKYOFNGEP-JTQLQIEISA-N 1 2 229.283 1.816 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccn2C)CC[S@]1=O ZINC000277421111 177164907 /nfs/dbraw/zinc/16/49/07/177164907.db2.gz IEVGTUOMWXINFX-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccn2C)CC[S@]1=O ZINC000277421111 177164908 /nfs/dbraw/zinc/16/49/08/177164908.db2.gz IEVGTUOMWXINFX-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccncc2)CC[S@]1=O ZINC000277089909 177166563 /nfs/dbraw/zinc/16/65/63/177166563.db2.gz FWJCITUJJSZYAK-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccncc2)CC[S@]1=O ZINC000277089909 177166564 /nfs/dbraw/zinc/16/65/64/177166564.db2.gz FWJCITUJJSZYAK-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CCNC(=O)[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000193522855 177173333 /nfs/dbraw/zinc/17/33/33/177173333.db2.gz MWPVIVAAMAJHJS-GZMMTYOYSA-N 1 2 246.314 1.291 20 0 BDADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000282196060 177174356 /nfs/dbraw/zinc/17/43/56/177174356.db2.gz CFZLXVZHSFHDCM-UFBFGSQYSA-N 1 2 249.314 1.166 20 0 BDADLO C[C@H]1CC[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357178743 177191127 /nfs/dbraw/zinc/19/11/27/177191127.db2.gz AEUNOLLMWNVZBH-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)c2cccn2C)CCCO1 ZINC000061919671 177245690 /nfs/dbraw/zinc/24/56/90/177245690.db2.gz WLLFPCBBRXGDCT-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)c2cccn2C)CCCO1 ZINC000061919671 177245691 /nfs/dbraw/zinc/24/56/91/177245691.db2.gz WLLFPCBBRXGDCT-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1C[N@H+](CCC(=O)c2ccccc2)CCO1 ZINC000053931544 177246806 /nfs/dbraw/zinc/24/68/06/177246806.db2.gz WTDJMISTIPHOGO-LBPRGKRZSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@H]1C[N@@H+](CCC(=O)c2ccccc2)CCO1 ZINC000053931544 177246808 /nfs/dbraw/zinc/24/68/08/177246808.db2.gz WTDJMISTIPHOGO-LBPRGKRZSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@H]1C[N@H+](CCSc2ncc[nH]2)CCO1 ZINC000189477090 177253661 /nfs/dbraw/zinc/25/36/61/177253661.db2.gz QOEWVZVWRFNJLI-VIFPVBQESA-N 1 2 227.333 1.223 20 0 BDADLO C[C@H]1C[N@@H+](CCSc2ncc[nH]2)CCO1 ZINC000189477090 177253662 /nfs/dbraw/zinc/25/36/62/177253662.db2.gz QOEWVZVWRFNJLI-VIFPVBQESA-N 1 2 227.333 1.223 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H](C)[S@@]1=O ZINC000362070004 177257891 /nfs/dbraw/zinc/25/78/91/177257891.db2.gz VVAOCDDUMCIFFU-BUWBCJGYSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H](C)[S@@]1=O ZINC000362070004 177257893 /nfs/dbraw/zinc/25/78/93/177257893.db2.gz VVAOCDDUMCIFFU-BUWBCJGYSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000309797470 177259119 /nfs/dbraw/zinc/25/91/19/177259119.db2.gz VQTOUKRAGMINCX-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000309797470 177259120 /nfs/dbraw/zinc/25/91/20/177259120.db2.gz VQTOUKRAGMINCX-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000127016467 177261542 /nfs/dbraw/zinc/26/15/42/177261542.db2.gz AFPJYZUTUIVABD-AOOOYVTPSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000127016467 177261544 /nfs/dbraw/zinc/26/15/44/177261544.db2.gz AFPJYZUTUIVABD-AOOOYVTPSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CC(=O)N1C ZINC000282001319 177263487 /nfs/dbraw/zinc/26/34/87/177263487.db2.gz CZAKEOQNDQYWDW-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC(=O)N1C ZINC000282001319 177263489 /nfs/dbraw/zinc/26/34/89/177263489.db2.gz CZAKEOQNDQYWDW-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccnc2)CC[S@@](=O)C1 ZINC000277555198 177265762 /nfs/dbraw/zinc/26/57/62/177265762.db2.gz RHFZRNJMRYVVLE-MEDUHNTESA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccnc2)CC[S@@](=O)C1 ZINC000277555198 177265763 /nfs/dbraw/zinc/26/57/63/177265763.db2.gz RHFZRNJMRYVVLE-MEDUHNTESA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccncc1 ZINC000336492419 177267235 /nfs/dbraw/zinc/26/72/35/177267235.db2.gz CFYDQTPRJWANSW-NWDGAFQWSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccncc1 ZINC000336492419 177267236 /nfs/dbraw/zinc/26/72/36/177267236.db2.gz CFYDQTPRJWANSW-NWDGAFQWSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@@]2(CCOC2)O1 ZINC000280642793 177267650 /nfs/dbraw/zinc/26/76/50/177267650.db2.gz YIKQTOCNISIUNC-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@@]2(CCOC2)O1 ZINC000280642793 177267652 /nfs/dbraw/zinc/26/76/52/177267652.db2.gz YIKQTOCNISIUNC-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[NH+](Cc2cnc3cnccn23)C[C@H](C)O1 ZINC000156560103 177269872 /nfs/dbraw/zinc/26/98/72/177269872.db2.gz YSQHPUONGSBMEM-QWRGUYRKSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@H]1C[N@H+](Cc2cocn2)CC(C)(C)O1 ZINC000191936734 177270794 /nfs/dbraw/zinc/27/07/94/177270794.db2.gz AAZMJPNFLTUAIZ-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cocn2)CC(C)(C)O1 ZINC000191936734 177270795 /nfs/dbraw/zinc/27/07/95/177270795.db2.gz AAZMJPNFLTUAIZ-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1CO ZINC000357674331 177277314 /nfs/dbraw/zinc/27/73/14/177277314.db2.gz NFSJJDZUIDPPER-ONGXEEELSA-N 1 2 233.315 1.419 20 0 BDADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CCCO1 ZINC000192301688 177279024 /nfs/dbraw/zinc/27/90/24/177279024.db2.gz XKNCRQXWNVMEJZ-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)CCCO1 ZINC000192301688 177279026 /nfs/dbraw/zinc/27/90/26/177279026.db2.gz XKNCRQXWNVMEJZ-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nccs2)C1 ZINC000335981653 177289562 /nfs/dbraw/zinc/28/95/62/177289562.db2.gz RVOSMWPBTHNBFV-SECBINFHSA-N 1 2 212.318 1.611 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nccs2)C1 ZINC000335981653 177289564 /nfs/dbraw/zinc/28/95/64/177289564.db2.gz RVOSMWPBTHNBFV-SECBINFHSA-N 1 2 212.318 1.611 20 0 BDADLO C[C@H]1CSCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287628359 177304331 /nfs/dbraw/zinc/30/43/31/177304331.db2.gz NDFOXIPHWWFEKP-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO C[C@H]1CSCC[N@@H+]1CC(=O)c1cccn1C ZINC000069761245 177305234 /nfs/dbraw/zinc/30/52/34/177305234.db2.gz HCIYOIRCSMTWJX-JTQLQIEISA-N 1 2 238.356 1.645 20 0 BDADLO C[C@H]1CSCC[N@H+]1CC(=O)c1cccn1C ZINC000069761245 177305235 /nfs/dbraw/zinc/30/52/35/177305235.db2.gz HCIYOIRCSMTWJX-JTQLQIEISA-N 1 2 238.356 1.645 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)NCc2c[nH+]cn2C)C1 ZINC000336290759 177315954 /nfs/dbraw/zinc/31/59/54/177315954.db2.gz CUQZVLRNGIOOPD-ZJUUUORDSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336690384 177317108 /nfs/dbraw/zinc/31/71/08/177317108.db2.gz AWORITVOSAVJCK-BDAKNGLRSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336690384 177317109 /nfs/dbraw/zinc/31/71/09/177317109.db2.gz AWORITVOSAVJCK-BDAKNGLRSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000352620355 177342919 /nfs/dbraw/zinc/34/29/19/177342919.db2.gz BXXKNYAUFAVJPV-VHSXEESVSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@H]1C[C@@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000370747335 177346363 /nfs/dbraw/zinc/34/63/63/177346363.db2.gz NBRQUJOFVLOCJK-UWVGGRQHSA-N 1 2 214.272 1.510 20 0 BDADLO C[C@H]1C[C@H](COCc2[nH]cc[nH+]2)CCO1 ZINC000341378079 177363732 /nfs/dbraw/zinc/36/37/32/177363732.db2.gz ZKPHHXQAFGBMPA-VHSXEESVSA-N 1 2 210.277 1.741 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)n2)c2nccn21 ZINC000345359091 177370970 /nfs/dbraw/zinc/37/09/70/177370970.db2.gz WZOKZMUQZSRIFJ-ONGXEEELSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@H](NCc2ccn(C)n2)c2[nH+]ccn21 ZINC000345359091 177370971 /nfs/dbraw/zinc/37/09/71/177370971.db2.gz WZOKZMUQZSRIFJ-ONGXEEELSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344974 177373512 /nfs/dbraw/zinc/37/35/12/177373512.db2.gz UACOWKOTLXPYEY-UWVGGRQHSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344974 177373514 /nfs/dbraw/zinc/37/35/14/177373514.db2.gz UACOWKOTLXPYEY-UWVGGRQHSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000359265997 177414545 /nfs/dbraw/zinc/41/45/45/177414545.db2.gz GBTOYUAPPLGIGH-VGMNWLOBSA-N 1 2 243.257 1.289 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(F)cn1 ZINC000493489883 224693634 /nfs/dbraw/zinc/69/36/34/224693634.db2.gz IWCUWSSUXJLTKB-DUXPYHPUSA-N 1 2 232.218 1.596 20 0 BDADLO COc1cccc(C)c1NC(=O)Cn1cc[nH+]c1 ZINC000487499623 225308702 /nfs/dbraw/zinc/30/87/02/225308702.db2.gz IHFPEFCHMLQYGP-UHFFFAOYSA-N 1 2 245.282 1.839 20 0 BDADLO COc1ncccc1C[NH2+][C@H](C)c1ccon1 ZINC000488320868 225370877 /nfs/dbraw/zinc/37/08/77/225370877.db2.gz OKRDOXQGHCCHOF-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000488428139 225395661 /nfs/dbraw/zinc/39/56/61/225395661.db2.gz VMFDLPJHMSOREY-RKDXNWHRSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000488428139 225395664 /nfs/dbraw/zinc/39/56/64/225395664.db2.gz VMFDLPJHMSOREY-RKDXNWHRSA-N 1 2 244.289 1.774 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000488110856 225347481 /nfs/dbraw/zinc/34/74/81/225347481.db2.gz QYRNKRXOGKGVEE-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000488110856 225347484 /nfs/dbraw/zinc/34/74/84/225347484.db2.gz QYRNKRXOGKGVEE-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO FC(F)Cn1ncnc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000488153887 225351799 /nfs/dbraw/zinc/35/17/99/225351799.db2.gz TUFHJGLVWZBWFR-BDAKNGLRSA-N 1 2 242.273 1.528 20 0 BDADLO FC(F)Cn1ncnc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000488153887 225351802 /nfs/dbraw/zinc/35/18/02/225351802.db2.gz TUFHJGLVWZBWFR-BDAKNGLRSA-N 1 2 242.273 1.528 20 0 BDADLO c1cc(N2C[C@@H]3COC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000672274790 487644894 /nfs/dbraw/zinc/64/48/94/487644894.db2.gz AJGADLGZSMIQFP-PHIMTYICSA-N 1 2 231.299 1.437 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]2C[C@H]21 ZINC000672128521 487646596 /nfs/dbraw/zinc/64/65/96/487646596.db2.gz MTCVYNYBTKJNPF-QJPTWQEYSA-N 1 2 245.326 1.456 20 0 BDADLO O=C(/C=C\C1CC1)NCCc1[nH]cc[nH+]1 ZINC000492071668 225922528 /nfs/dbraw/zinc/92/25/28/225922528.db2.gz GHKOKSYVDGOVKL-ARJAWSKDSA-N 1 2 205.261 1.035 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492801141 226054530 /nfs/dbraw/zinc/05/45/30/226054530.db2.gz OBVBIDOMPXKBPS-XPDWMRMNSA-N 1 2 237.328 1.291 20 0 BDADLO C[C@@H]1COCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492804655 226055852 /nfs/dbraw/zinc/05/58/52/226055852.db2.gz UJZCIDVIAZZYDT-UZAOFVRNSA-N 1 2 249.314 1.212 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000492806987 226057191 /nfs/dbraw/zinc/05/71/91/226057191.db2.gz AMVWWYSDLGRCKI-UFFNRZRYSA-N 1 2 231.299 1.681 20 0 BDADLO Cc1ncc(CNC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492812983 226059278 /nfs/dbraw/zinc/05/92/78/226059278.db2.gz OEBRYTVXEWZURB-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CC1(C)C ZINC000492827224 226061454 /nfs/dbraw/zinc/06/14/54/226061454.db2.gz WQEGRJDKJKKVAT-LWTINBJPSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492866544 226070145 /nfs/dbraw/zinc/07/01/45/226070145.db2.gz QGTBPCQIDPKCQU-DHCBQETCSA-N 1 2 249.314 1.186 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000492867373 226070154 /nfs/dbraw/zinc/07/01/54/226070154.db2.gz RESGLGCYDQMOEK-NRFYAWERSA-N 1 2 249.314 1.354 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000492867370 226070668 /nfs/dbraw/zinc/07/06/68/226070668.db2.gz RESGLGCYDQMOEK-BXXZLRJFSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCC1 ZINC000492865953 226070794 /nfs/dbraw/zinc/07/07/94/226070794.db2.gz WBBPPVRJAFQTEP-PLNGDYQASA-N 1 2 205.261 1.339 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1cscn1 ZINC000492958426 226091702 /nfs/dbraw/zinc/09/17/02/226091702.db2.gz VAHCUAMYXOKYJC-NSCUHMNNSA-N 1 2 248.311 1.206 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000493300679 226180045 /nfs/dbraw/zinc/18/00/45/226180045.db2.gz LOZQNTOWPZPBTC-SZDPGLJBSA-N 1 2 231.299 1.728 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CC12CC2 ZINC000493082594 226120780 /nfs/dbraw/zinc/12/07/80/226120780.db2.gz IDQQCPQHQOTARF-VWCDRPFISA-N 1 2 217.272 1.339 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC12CCC2 ZINC000493103396 226127711 /nfs/dbraw/zinc/12/77/11/226127711.db2.gz HCBUTHLXPRWRSQ-NSCUHMNNSA-N 1 2 217.272 1.578 20 0 BDADLO C[C@H](C[C@H]1CCCO1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493155288 226141147 /nfs/dbraw/zinc/14/11/47/226141147.db2.gz CUJSYQFFXNIITI-ZHLVKLTDSA-N 1 2 249.314 1.497 20 0 BDADLO O=C(/C=C\C1CC1)NCc1ccn2cc[nH+]c2c1 ZINC000493160708 226142055 /nfs/dbraw/zinc/14/20/55/226142055.db2.gz QYTWIXNAPRBEGB-ARJAWSKDSA-N 1 2 241.294 1.917 20 0 BDADLO COC1(c2noc(C[N@H+](C)C(C)C)n2)CCC1 ZINC000680797913 487648820 /nfs/dbraw/zinc/64/88/20/487648820.db2.gz NZJYGQCARNDGSE-UHFFFAOYSA-N 1 2 239.319 1.935 20 0 BDADLO COC1(c2noc(C[N@@H+](C)C(C)C)n2)CCC1 ZINC000680797913 487648823 /nfs/dbraw/zinc/64/88/23/487648823.db2.gz NZJYGQCARNDGSE-UHFFFAOYSA-N 1 2 239.319 1.935 20 0 BDADLO C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCS1 ZINC000493196483 226152432 /nfs/dbraw/zinc/15/24/32/226152432.db2.gz XHSSJEQFMJYIBZ-HPOULIHZSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H](O)[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493199967 226153659 /nfs/dbraw/zinc/15/36/59/226153659.db2.gz DNGYYZHATKZTAQ-NNOMMRTBSA-N 1 2 249.314 1.042 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NOCCC(F)(F)F ZINC000493256001 226168042 /nfs/dbraw/zinc/16/80/42/226168042.db2.gz NIQAFNSCPOVLAU-OWOJBTEDSA-N 1 2 249.192 1.423 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCCSC1 ZINC000493360738 226194653 /nfs/dbraw/zinc/19/46/53/226194653.db2.gz WNKZLYQBVPOSFZ-CDAZIORVSA-N 1 2 237.328 1.435 20 0 BDADLO COC1(CNC(=O)/C=C\c2[nH]cc[nH+]2)CCCC1 ZINC000493402281 226206102 /nfs/dbraw/zinc/20/61/02/226206102.db2.gz PTVVISWRVQCPGV-PLNGDYQASA-N 1 2 249.314 1.498 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H](F)C1 ZINC000493419618 226210608 /nfs/dbraw/zinc/21/06/08/226210608.db2.gz MPVVVOXRAPCHQT-ZBJFTSOASA-N 1 2 223.251 1.383 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CC=CCC1 ZINC000493436629 226217140 /nfs/dbraw/zinc/21/71/40/226217140.db2.gz WLYONFLXYUDFAY-MLRMMBSGSA-N 1 2 231.299 1.895 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C1CC1 ZINC000493451512 226219666 /nfs/dbraw/zinc/21/96/66/226219666.db2.gz CIIKVPZRQQUQMR-FCVPOFOPSA-N 1 2 217.272 1.338 20 0 BDADLO O=C(/C=C\c1cncs1)NCc1[nH]cc[nH+]1 ZINC000493487352 226230249 /nfs/dbraw/zinc/23/02/49/226230249.db2.gz FZRSPBCVQFPORC-UPHRSURJSA-N 1 2 234.284 1.196 20 0 BDADLO C[C@@H]1N(C(=O)/C=C/c2[nH]cc[nH+]2)CCOC1(C)C ZINC000493608557 226245507 /nfs/dbraw/zinc/24/55/07/226245507.db2.gz FIGYXHARPFTQJE-YEZKRMTDSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000493688104 226249362 /nfs/dbraw/zinc/24/93/62/226249362.db2.gz HVEGYARQWQEMES-VSQXVHSFSA-N 1 2 235.287 1.108 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCC=CO1 ZINC000493715680 226250527 /nfs/dbraw/zinc/25/05/27/226250527.db2.gz BDKHQSRSPOXZBI-ORAHPGNNSA-N 1 2 233.271 1.232 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CC[C@H]1C1CC1 ZINC000493728415 226251467 /nfs/dbraw/zinc/25/14/67/226251467.db2.gz UODQBMIDBYCHDB-XOULXFPDSA-N 1 2 217.272 1.434 20 0 BDADLO CO[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493847652 226256894 /nfs/dbraw/zinc/25/68/94/226256894.db2.gz PKLJUXKANDVJJR-ORAHPGNNSA-N 1 2 237.303 1.210 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493974100 226259404 /nfs/dbraw/zinc/25/94/04/226259404.db2.gz GZQQNESMMXLNGN-WDEREUQCSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493974100 226259405 /nfs/dbraw/zinc/25/94/05/226259405.db2.gz GZQQNESMMXLNGN-WDEREUQCSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](O)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000494892167 226270806 /nfs/dbraw/zinc/27/08/06/226270806.db2.gz RRVIVPOOWPRTJX-MWLCHTKSSA-N 1 2 238.335 1.397 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C/C=C/c1ccncc1 ZINC000494982617 226273541 /nfs/dbraw/zinc/27/35/41/226273541.db2.gz WVEWGKIQMBRTBK-SDEBIZQBSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C/C=C/c1ccncc1 ZINC000494982617 226273542 /nfs/dbraw/zinc/27/35/42/226273542.db2.gz WVEWGKIQMBRTBK-SDEBIZQBSA-N 1 2 248.326 1.176 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@H]2C)c(C)[nH+]1 ZINC000496628320 226310150 /nfs/dbraw/zinc/31/01/50/226310150.db2.gz VEWROVIQJPNWMH-WPRPVWTQSA-N 1 2 249.270 1.134 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)OCC2CC2)c1 ZINC000496861289 226315945 /nfs/dbraw/zinc/31/59/45/226315945.db2.gz ATKMIHKXAMFRPS-UHFFFAOYSA-N 1 2 223.276 1.099 20 0 BDADLO COCC[N@H+](Cc1cn[nH]c1C)C1CC1 ZINC000507167287 226366215 /nfs/dbraw/zinc/36/62/15/226366215.db2.gz LAVDUWPSKBNCLY-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO COCC[N@@H+](Cc1cn[nH]c1C)C1CC1 ZINC000507167287 226366216 /nfs/dbraw/zinc/36/62/16/226366216.db2.gz LAVDUWPSKBNCLY-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H]2C[C@H]21 ZINC000672712685 487653834 /nfs/dbraw/zinc/65/38/34/487653834.db2.gz CGQHZQJJCQCFSR-CMPLNLGQSA-N 1 2 231.299 1.828 20 0 BDADLO Cc1cncc(NCCCCn2cc[nH+]c2)n1 ZINC000680829957 487654519 /nfs/dbraw/zinc/65/45/19/487654519.db2.gz HZGQURJQPBSXJB-UHFFFAOYSA-N 1 2 231.303 1.874 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)n1 ZINC000671628441 487658168 /nfs/dbraw/zinc/65/81/68/487658168.db2.gz DAYQCBBJNCIGND-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)n1 ZINC000671628441 487658170 /nfs/dbraw/zinc/65/81/70/487658170.db2.gz DAYQCBBJNCIGND-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@]2(CO)CCOC2)s1 ZINC000680865490 487660491 /nfs/dbraw/zinc/66/04/91/487660491.db2.gz PPSLENISQQQNNZ-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@]2(CO)CCOC2)s1 ZINC000680865490 487660495 /nfs/dbraw/zinc/66/04/95/487660495.db2.gz PPSLENISQQQNNZ-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c(O)c1 ZINC000557465388 322937655 /nfs/dbraw/zinc/93/76/55/322937655.db2.gz MPVPACJWBHGKBR-NSHDSACASA-N 1 2 248.326 1.979 20 0 BDADLO CC(C)(C)/C=C\C(=O)NC1=[NH+]CCS1 ZINC000255736161 322938610 /nfs/dbraw/zinc/93/86/10/322938610.db2.gz QHEMDLZYEWYHCY-PLNGDYQASA-N 1 2 212.318 1.808 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000513054368 229386045 /nfs/dbraw/zinc/38/60/45/229386045.db2.gz LXEFOZLRXCLIDN-CIUDSAMLSA-N 1 2 243.257 1.289 20 0 BDADLO CCOC1(C)C[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC000398886131 262771947 /nfs/dbraw/zinc/77/19/47/262771947.db2.gz KKXSZBQHLIVSKT-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO CN(CCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC001331922624 974867136 /nfs/dbraw/zinc/86/71/36/974867136.db2.gz LUVYCUFWBHGRKW-UHFFFAOYSA-N 1 2 235.209 1.363 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000152012858 487682560 /nfs/dbraw/zinc/68/25/60/487682560.db2.gz JUYWPPICHOJTRN-JTQLQIEISA-N 1 2 241.312 1.122 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000152012858 487682565 /nfs/dbraw/zinc/68/25/65/487682565.db2.gz JUYWPPICHOJTRN-JTQLQIEISA-N 1 2 241.312 1.122 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)[C@@H]1COC(C)(C)C1 ZINC000660142163 487685411 /nfs/dbraw/zinc/68/54/11/487685411.db2.gz PNSAHXHUOKOCQA-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)[C@@H]1COC(C)(C)C1 ZINC000660142163 487685416 /nfs/dbraw/zinc/68/54/16/487685416.db2.gz PNSAHXHUOKOCQA-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000189482360 487688722 /nfs/dbraw/zinc/68/87/22/487688722.db2.gz YLQDPOFBJIKDHD-TXEJJXNPSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000189482360 487688724 /nfs/dbraw/zinc/68/87/24/487688724.db2.gz YLQDPOFBJIKDHD-TXEJJXNPSA-N 1 2 247.342 1.991 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353263351 487689521 /nfs/dbraw/zinc/68/95/21/487689521.db2.gz UDSBNAQJPVXDTL-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO CCOCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353263351 487689525 /nfs/dbraw/zinc/68/95/25/487689525.db2.gz UDSBNAQJPVXDTL-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000669700050 487695494 /nfs/dbraw/zinc/69/54/94/487695494.db2.gz VZZVIEYNYDDCDD-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000669700050 487695503 /nfs/dbraw/zinc/69/55/03/487695503.db2.gz VZZVIEYNYDDCDD-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CC1(C)C ZINC000397639519 262795117 /nfs/dbraw/zinc/79/51/17/262795117.db2.gz XFTOZAXKSPFWLX-YUMQZZPRSA-N 1 2 224.308 1.425 20 0 BDADLO O=C(c1ncc[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000667652779 487698330 /nfs/dbraw/zinc/69/83/30/487698330.db2.gz JFVCZUQROZZXBL-VIFPVBQESA-N 1 2 245.286 1.500 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC000397183986 262836571 /nfs/dbraw/zinc/83/65/71/262836571.db2.gz KRIXYUAWEMNBRO-NQBHXWOUSA-N 1 2 225.332 1.962 20 0 BDADLO COc1ccc[nH+]c1N1CCC(OC)CC1 ZINC000527832480 262887838 /nfs/dbraw/zinc/88/78/38/262887838.db2.gz JLYQAURZSKEXOP-UHFFFAOYSA-N 1 2 222.288 1.705 20 0 BDADLO CCOCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671710703 487701948 /nfs/dbraw/zinc/70/19/48/487701948.db2.gz LBRBIMFOEPDPJV-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671710703 487701954 /nfs/dbraw/zinc/70/19/54/487701954.db2.gz LBRBIMFOEPDPJV-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671709445 487701734 /nfs/dbraw/zinc/70/17/34/487701734.db2.gz DZRCKZCBQNVXIB-YIZRAAEISA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671709445 487701738 /nfs/dbraw/zinc/70/17/38/487701738.db2.gz DZRCKZCBQNVXIB-YIZRAAEISA-N 1 2 241.253 1.266 20 0 BDADLO COCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671711288 487702415 /nfs/dbraw/zinc/70/24/15/487702415.db2.gz YRHQBZRFCDYITD-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671711288 487702422 /nfs/dbraw/zinc/70/24/22/487702422.db2.gz YRHQBZRFCDYITD-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO O=C([C@H]1CC12CCC2)N1CC(n2cc[nH+]c2)C1 ZINC000675336735 487712732 /nfs/dbraw/zinc/71/27/32/487712732.db2.gz VYFPRDBFBKPWIF-LLVKDONJSA-N 1 2 231.299 1.457 20 0 BDADLO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(F)F ZINC000671733703 487713557 /nfs/dbraw/zinc/71/35/57/487713557.db2.gz NUTJNIJGCQCOSO-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(F)F ZINC000671733703 487713558 /nfs/dbraw/zinc/71/35/58/487713558.db2.gz NUTJNIJGCQCOSO-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398360198 487718964 /nfs/dbraw/zinc/71/89/64/487718964.db2.gz JBIUFZSBWWNINC-WDEREUQCSA-N 1 2 236.319 1.242 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398360198 487718968 /nfs/dbraw/zinc/71/89/68/487718968.db2.gz JBIUFZSBWWNINC-WDEREUQCSA-N 1 2 236.319 1.242 20 0 BDADLO CC(C)(C)c1nc(NC[C@H]2CNC(=O)C2)cc[nH+]1 ZINC000665743870 487720826 /nfs/dbraw/zinc/72/08/26/487720826.db2.gz DIFLYYPWQLIPQN-VIFPVBQESA-N 1 2 248.330 1.322 20 0 BDADLO CCc1nocc1C(=O)Nc1cc[nH+]cc1C ZINC000668419522 487721687 /nfs/dbraw/zinc/72/16/87/487721687.db2.gz FQHYSLDISPPHEH-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO CCC[C@H](C)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665691912 487732037 /nfs/dbraw/zinc/73/20/37/487732037.db2.gz AHZGQRXXBFRVII-VIFPVBQESA-N 1 2 236.319 1.906 20 0 BDADLO CCC[C@H](C)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665691912 487732042 /nfs/dbraw/zinc/73/20/42/487732042.db2.gz AHZGQRXXBFRVII-VIFPVBQESA-N 1 2 236.319 1.906 20 0 BDADLO C[C@H]1C[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665697913 487733755 /nfs/dbraw/zinc/73/37/55/487733755.db2.gz KWLOEMQYHPFFRN-BQBZGAKWSA-N 1 2 206.249 1.101 20 0 BDADLO C[C@H]1C[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665697913 487733759 /nfs/dbraw/zinc/73/37/59/487733759.db2.gz KWLOEMQYHPFFRN-BQBZGAKWSA-N 1 2 206.249 1.101 20 0 BDADLO C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000665704115 487734254 /nfs/dbraw/zinc/73/42/54/487734254.db2.gz XQZWATXTOLURCJ-DTORHVGOSA-N 1 2 234.303 1.373 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@H]1C ZINC000665704115 487734260 /nfs/dbraw/zinc/73/42/60/487734260.db2.gz XQZWATXTOLURCJ-DTORHVGOSA-N 1 2 234.303 1.373 20 0 BDADLO C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000665704116 487734382 /nfs/dbraw/zinc/73/43/82/487734382.db2.gz XQZWATXTOLURCJ-IUCAKERBSA-N 1 2 234.303 1.373 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@@H]1C ZINC000665704116 487734388 /nfs/dbraw/zinc/73/43/88/487734388.db2.gz XQZWATXTOLURCJ-IUCAKERBSA-N 1 2 234.303 1.373 20 0 BDADLO CC1(CNc2[nH+]cnc3c2OCCN3)CC1 ZINC000665704745 487735564 /nfs/dbraw/zinc/73/55/64/487735564.db2.gz PTZMSBUPPPIPMN-UHFFFAOYSA-N 1 2 220.276 1.493 20 0 BDADLO CC1(CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665704745 487735571 /nfs/dbraw/zinc/73/55/71/487735571.db2.gz PTZMSBUPPPIPMN-UHFFFAOYSA-N 1 2 220.276 1.493 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ccccn1 ZINC000088588789 487737521 /nfs/dbraw/zinc/73/75/21/487737521.db2.gz PCTNQEZHBGKJGZ-UHFFFAOYSA-N 1 2 231.303 1.544 20 0 BDADLO CC[C@H]1C[C@@]2(CCO1)NC(=O)C[N@@H+]2CC(C)C ZINC000666168998 487743320 /nfs/dbraw/zinc/74/33/20/487743320.db2.gz LOMNAKRMZVTHFB-AAEUAGOBSA-N 1 2 240.347 1.360 20 0 BDADLO CC[C@H]1C[C@@]2(CCO1)NC(=O)C[N@H+]2CC(C)C ZINC000666168998 487743324 /nfs/dbraw/zinc/74/33/24/487743324.db2.gz LOMNAKRMZVTHFB-AAEUAGOBSA-N 1 2 240.347 1.360 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666179874 487747117 /nfs/dbraw/zinc/74/71/17/487747117.db2.gz CVXAYHGFFGNUEO-JTQLQIEISA-N 1 2 235.331 1.629 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666179874 487747121 /nfs/dbraw/zinc/74/71/21/487747121.db2.gz CVXAYHGFFGNUEO-JTQLQIEISA-N 1 2 235.331 1.629 20 0 BDADLO CCc1cc(NCCC2(CO)CCC2)nc[nH+]1 ZINC000651466149 487747291 /nfs/dbraw/zinc/74/72/91/487747291.db2.gz PRRQLQBFCMPKGI-UHFFFAOYSA-N 1 2 235.331 1.426 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1cc[nH+]cc1C ZINC000669602478 487748667 /nfs/dbraw/zinc/74/86/67/487748667.db2.gz GAYKNQTWYDZKLC-UHFFFAOYSA-N 1 2 216.244 1.096 20 0 BDADLO CC(C)(C)c1nc(NCCc2nnc[nH]2)cc[nH+]1 ZINC000675634686 487756872 /nfs/dbraw/zinc/75/68/72/487756872.db2.gz AZRINEWOCJJSOG-UHFFFAOYSA-N 1 2 246.318 1.547 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccc(F)cn1 ZINC000675645640 487759218 /nfs/dbraw/zinc/75/92/18/487759218.db2.gz PLJTXIMHRAJFCV-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC2(CC2)C1 ZINC000668448812 487770621 /nfs/dbraw/zinc/77/06/21/487770621.db2.gz WESSDQOKYLUAQZ-UHFFFAOYSA-N 1 2 219.288 1.558 20 0 BDADLO Cn1nnc2cc(C[NH2+]Cc3cocn3)ccc21 ZINC000675761762 487774660 /nfs/dbraw/zinc/77/46/60/487774660.db2.gz HTEICJHEXKLHJS-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)c1cc[nH]c1 ZINC000681356088 487782472 /nfs/dbraw/zinc/78/24/72/487782472.db2.gz JGHDZCHQOOOKJA-UHFFFAOYSA-N 1 2 230.271 1.150 20 0 BDADLO CCS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778239657 585728632 /nfs/dbraw/zinc/72/86/32/585728632.db2.gz TWEMTOMBLHTFIN-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO CCS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000778239657 585728633 /nfs/dbraw/zinc/72/86/33/585728633.db2.gz TWEMTOMBLHTFIN-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO CC(C)(NC(=O)c1cc[nH]c(=O)c1)c1[nH]cc[nH+]1 ZINC000567359985 487805991 /nfs/dbraw/zinc/80/59/91/487805991.db2.gz IJPGPVOMTHKRRB-UHFFFAOYSA-N 1 2 246.270 1.175 20 0 BDADLO CC1(C)CC([N@@H+]2CCOC(=O)C2)CC(C)(C)O1 ZINC001172660852 974898919 /nfs/dbraw/zinc/89/89/19/974898919.db2.gz YXVOQLPQCJCLHE-UHFFFAOYSA-N 1 2 241.331 1.581 20 0 BDADLO CC1(C)CC([N@H+]2CCOC(=O)C2)CC(C)(C)O1 ZINC001172660852 974898926 /nfs/dbraw/zinc/89/89/26/974898926.db2.gz YXVOQLPQCJCLHE-UHFFFAOYSA-N 1 2 241.331 1.581 20 0 BDADLO Cc1cc(NC(=O)N[C@]23C[C@H]2CCC3)cc[nH+]1 ZINC000666492215 487820425 /nfs/dbraw/zinc/82/04/25/487820425.db2.gz NDYUMXIYRGGDCA-ZWNOBZJWSA-N 1 2 231.299 1.876 20 0 BDADLO C[C@H]([NH2+]CC(=O)N1CCCC1)c1cscn1 ZINC000229134851 487824288 /nfs/dbraw/zinc/82/42/88/487824288.db2.gz ORIOCPGKKAPLAI-VIFPVBQESA-N 1 2 239.344 1.416 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1cscn1 ZINC000229135018 487824690 /nfs/dbraw/zinc/82/46/90/487824690.db2.gz FREYEQBZRZYGII-SFYZADRCSA-N 1 2 239.344 1.461 20 0 BDADLO C[C@@H](O)COc1ccccc1-n1cc[nH+]c1 ZINC000666143270 487825356 /nfs/dbraw/zinc/82/53/56/487825356.db2.gz YGKCQZCMZDXLGA-SNVBAGLBSA-N 1 2 218.256 1.632 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NC1=[NH+]CCS1 ZINC000792854107 586005788 /nfs/dbraw/zinc/00/57/88/586005788.db2.gz JWMXXQOPGMQAAV-HTQZYQBOSA-N 1 2 230.333 1.267 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NC1=[NH+]CCS1 ZINC000792854113 586005815 /nfs/dbraw/zinc/00/58/15/586005815.db2.gz JWMXXQOPGMQAAV-SFYZADRCSA-N 1 2 230.333 1.267 20 0 BDADLO CC(C)=CC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795654845 586090569 /nfs/dbraw/zinc/09/05/69/586090569.db2.gz UFZNUPYRODLDBH-JTQLQIEISA-N 1 2 211.305 1.979 20 0 BDADLO CC(C)=CC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795654845 586090570 /nfs/dbraw/zinc/09/05/70/586090570.db2.gz UFZNUPYRODLDBH-JTQLQIEISA-N 1 2 211.305 1.979 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cn[nH]c1 ZINC000681696369 487841279 /nfs/dbraw/zinc/84/12/79/487841279.db2.gz HLXHUZCOPMQUGV-SSDOTTSWSA-N 1 2 232.291 1.256 20 0 BDADLO C[C@@H](N(C)C(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000558400136 322949522 /nfs/dbraw/zinc/94/95/22/322949522.db2.gz NZGYFOKJOMUMHO-SNVBAGLBSA-N 1 2 237.347 1.856 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000668995094 487844075 /nfs/dbraw/zinc/84/40/75/487844075.db2.gz HCZZRXICEOQASY-VIFPVBQESA-N 1 2 207.277 1.462 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000668995094 487844078 /nfs/dbraw/zinc/84/40/78/487844078.db2.gz HCZZRXICEOQASY-VIFPVBQESA-N 1 2 207.277 1.462 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668995306 487844089 /nfs/dbraw/zinc/84/40/89/487844089.db2.gz KESUWBUQAGOEGL-IEBDPFPHSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668995306 487844093 /nfs/dbraw/zinc/84/40/93/487844093.db2.gz KESUWBUQAGOEGL-IEBDPFPHSA-N 1 2 219.288 1.462 20 0 BDADLO CC(C)N(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000668151873 487852681 /nfs/dbraw/zinc/85/26/81/487852681.db2.gz QYURZMFIASFPJM-SNVBAGLBSA-N 1 2 247.342 1.914 20 0 BDADLO CC(C)N(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000668151873 487852685 /nfs/dbraw/zinc/85/26/85/487852685.db2.gz QYURZMFIASFPJM-SNVBAGLBSA-N 1 2 247.342 1.914 20 0 BDADLO CC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC000668497921 487855214 /nfs/dbraw/zinc/85/52/14/487855214.db2.gz LKHMRQXIODGGIM-MRVPVSSYSA-N 1 2 205.248 1.488 20 0 BDADLO CC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC000668497921 487855221 /nfs/dbraw/zinc/85/52/21/487855221.db2.gz LKHMRQXIODGGIM-MRVPVSSYSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@H]1CC[N@H+](C[C@@H]2CCSC2)CC1(F)F ZINC000668497903 487855601 /nfs/dbraw/zinc/85/56/01/487855601.db2.gz LFGAHSDPEWPKKR-IUCAKERBSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@H]1CC[N@@H+](C[C@@H]2CCSC2)CC1(F)F ZINC000668497903 487855606 /nfs/dbraw/zinc/85/56/06/487855606.db2.gz LFGAHSDPEWPKKR-IUCAKERBSA-N 1 2 237.315 1.441 20 0 BDADLO COc1c(N)[nH+]cnc1NC1CC(C)(C)C1 ZINC000395461496 487859281 /nfs/dbraw/zinc/85/92/81/487859281.db2.gz JFWAAPNRNOQLRK-UHFFFAOYSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1NC1CC(C)(C)C1 ZINC000395461496 487859287 /nfs/dbraw/zinc/85/92/87/487859287.db2.gz JFWAAPNRNOQLRK-UHFFFAOYSA-N 1 2 222.292 1.668 20 0 BDADLO CO[C@H](C[NH+]1CCS(=O)CC1)C1CCCC1 ZINC000595315748 487864422 /nfs/dbraw/zinc/86/44/22/487864422.db2.gz SIITWRDOMROUJH-GFCCVEGCSA-N 1 2 245.388 1.256 20 0 BDADLO COCc1nnc(C[NH2+]C[C@H](C)C(C)(C)C)[nH]1 ZINC000668509943 487867220 /nfs/dbraw/zinc/86/72/20/487867220.db2.gz LQBSOEIJPIWWKZ-VIFPVBQESA-N 1 2 240.351 1.723 20 0 BDADLO COC1CCC(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000682001079 487877864 /nfs/dbraw/zinc/87/78/64/487877864.db2.gz HGQYTPQAZZRHHE-UHFFFAOYSA-N 1 2 237.303 1.231 20 0 BDADLO COC1CCC(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000682001079 487877865 /nfs/dbraw/zinc/87/78/65/487877865.db2.gz HGQYTPQAZZRHHE-UHFFFAOYSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@H](C[N@@H+]1CCn2c(n[nH]c2=O)C1)C(C)(C)C ZINC000670269129 487880532 /nfs/dbraw/zinc/88/05/32/487880532.db2.gz URCXEUJVEHDEFQ-SECBINFHSA-N 1 2 238.335 1.482 20 0 BDADLO C[C@H](C[N@H+]1CCn2c(n[nH]c2=O)C1)C(C)(C)C ZINC000670269129 487880535 /nfs/dbraw/zinc/88/05/35/487880535.db2.gz URCXEUJVEHDEFQ-SECBINFHSA-N 1 2 238.335 1.482 20 0 BDADLO C[C@H](C[N@@H+]1CCN2C(=O)N=NC2C1)C(C)(C)C ZINC000670269129 487880540 /nfs/dbraw/zinc/88/05/40/487880540.db2.gz URCXEUJVEHDEFQ-SECBINFHSA-N 1 2 238.335 1.482 20 0 BDADLO C[C@H](C[N@H+]1CCN2C(=O)N=NC2C1)C(C)(C)C ZINC000670269129 487880546 /nfs/dbraw/zinc/88/05/46/487880546.db2.gz URCXEUJVEHDEFQ-SECBINFHSA-N 1 2 238.335 1.482 20 0 BDADLO COc1cc(C)[nH+]c(CN2CC(C)C2)c1 ZINC000670270621 487886576 /nfs/dbraw/zinc/88/65/76/487886576.db2.gz AZGMRASUZCFXAE-UHFFFAOYSA-N 1 2 206.289 1.850 20 0 BDADLO CC1C[NH+](Cc2cn3cccc(F)c3n2)C1 ZINC000670270699 487887743 /nfs/dbraw/zinc/88/77/43/487887743.db2.gz HAWFHXJUVSBOJP-UHFFFAOYSA-N 1 2 219.263 1.925 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000669446399 487890962 /nfs/dbraw/zinc/89/09/62/487890962.db2.gz HQVMYSOMUOSVAB-UHFFFAOYSA-N 1 2 230.271 1.982 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C(C)(C)c1ccccc1 ZINC000671246830 487892831 /nfs/dbraw/zinc/89/28/31/487892831.db2.gz OYNUOBMNYYYHJY-UHFFFAOYSA-N 1 2 246.314 1.877 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C)(C)c1ccccc1 ZINC000671246830 487892840 /nfs/dbraw/zinc/89/28/40/487892840.db2.gz OYNUOBMNYYYHJY-UHFFFAOYSA-N 1 2 246.314 1.877 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)n1 ZINC000682220832 487928031 /nfs/dbraw/zinc/92/80/31/487928031.db2.gz NGWYSFCOTVUYKH-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)n1 ZINC000682220832 487928035 /nfs/dbraw/zinc/92/80/35/487928035.db2.gz NGWYSFCOTVUYKH-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cncc(C)c1 ZINC000682366550 487941248 /nfs/dbraw/zinc/94/12/48/487941248.db2.gz MOGNIRVIGBOWEY-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cncc(C)c1 ZINC000682366550 487941251 /nfs/dbraw/zinc/94/12/51/487941251.db2.gz MOGNIRVIGBOWEY-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CCC1(CO)CC[NH+](Cc2noc(C)n2)CC1 ZINC000305704170 487942757 /nfs/dbraw/zinc/94/27/57/487942757.db2.gz DNYPYVJVBGZRPQ-UHFFFAOYSA-N 1 2 239.319 1.363 20 0 BDADLO C[C@H]1C[C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@@H+]1C ZINC000158190169 487943146 /nfs/dbraw/zinc/94/31/46/487943146.db2.gz FOFWJNWMBNODLE-ONGXEEELSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H]1C[C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@H+]1C ZINC000158190169 487943148 /nfs/dbraw/zinc/94/31/48/487943148.db2.gz FOFWJNWMBNODLE-ONGXEEELSA-N 1 2 249.314 1.674 20 0 BDADLO COc1ccc(N[C@@H](C)c2cn[nH]c2)[nH+]c1 ZINC000229729984 487943374 /nfs/dbraw/zinc/94/33/74/487943374.db2.gz FAURWPIVHCBXRN-QMMMGPOBSA-N 1 2 218.260 1.986 20 0 BDADLO C[N@H+](Cc1nc(C2CCC2)no1)C1CC1 ZINC000682379117 487944476 /nfs/dbraw/zinc/94/44/76/487944476.db2.gz XQCZNHWXKOZTME-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO C[N@@H+](Cc1nc(C2CCC2)no1)C1CC1 ZINC000682379117 487944482 /nfs/dbraw/zinc/94/44/82/487944482.db2.gz XQCZNHWXKOZTME-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000667153650 487949625 /nfs/dbraw/zinc/94/96/25/487949625.db2.gz SLSAKHARQIQKJD-ONGXEEELSA-N 1 2 247.342 1.677 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000667153650 487949629 /nfs/dbraw/zinc/94/96/29/487949629.db2.gz SLSAKHARQIQKJD-ONGXEEELSA-N 1 2 247.342 1.677 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNc1cn(C)nn1 ZINC000558635252 322952915 /nfs/dbraw/zinc/95/29/15/322952915.db2.gz LATMEXLNUBSXAB-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CCCCOCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569463217 322966987 /nfs/dbraw/zinc/96/69/87/322966987.db2.gz KZGDMRNCIMNCGX-UHFFFAOYSA-N 1 2 239.319 1.578 20 0 BDADLO CO[C@@H](C)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000561408600 323001341 /nfs/dbraw/zinc/00/13/41/323001341.db2.gz PSVMAZHCJSPZNE-VIFPVBQESA-N 1 2 246.314 1.513 20 0 BDADLO FC(F)(F)CN1CC[NH+](C2CC2)CC1 ZINC000125856621 323002067 /nfs/dbraw/zinc/00/20/67/323002067.db2.gz IBDBUDDWGHAWSF-UHFFFAOYSA-N 1 2 208.227 1.329 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cn(C)nc2C)s1 ZINC000126268866 323003210 /nfs/dbraw/zinc/00/32/10/323003210.db2.gz DMHYOYJAWSMYHC-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000147924780 323005449 /nfs/dbraw/zinc/00/54/49/323005449.db2.gz CSYIGIWANMQIME-GFCCVEGCSA-N 1 2 219.284 1.606 20 0 BDADLO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000147924780 323005450 /nfs/dbraw/zinc/00/54/50/323005450.db2.gz CSYIGIWANMQIME-GFCCVEGCSA-N 1 2 219.284 1.606 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000561720659 323005958 /nfs/dbraw/zinc/00/59/58/323005958.db2.gz URTAJWMIAQANRK-VWYCJHECSA-N 1 2 248.330 1.296 20 0 BDADLO CSC[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000300949006 323006552 /nfs/dbraw/zinc/00/65/52/323006552.db2.gz OAMMVOMVIDLTKE-HTQZYQBOSA-N 1 2 227.333 1.586 20 0 BDADLO CN(Cc1cccs1)C(=O)Cc1c[nH+]cn1C ZINC000562175433 323013117 /nfs/dbraw/zinc/01/31/17/323013117.db2.gz ZOGMRLRIKQUESC-UHFFFAOYSA-N 1 2 249.339 1.683 20 0 BDADLO CC[C@H]1CN(c2[nH+]cccc2OC)C[C@@H]1O ZINC000400057522 323013849 /nfs/dbraw/zinc/01/38/49/323013849.db2.gz XPGDSWNKQVZYOE-UWVGGRQHSA-N 1 2 222.288 1.297 20 0 BDADLO Clc1c[nH+]ccc1NCc1n[nH]c(C2CC2)n1 ZINC000562539338 323023801 /nfs/dbraw/zinc/02/38/01/323023801.db2.gz QHWMEVVTNUPTQC-UHFFFAOYSA-N 1 2 249.705 1.765 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(C2(C)CC2)CC1 ZINC000562671862 323027047 /nfs/dbraw/zinc/02/70/47/323027047.db2.gz UNNACYMAQKHXLK-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc(C2CC2)nn1 ZINC000562780274 323030305 /nfs/dbraw/zinc/03/03/05/323030305.db2.gz GFTHZUVLNGTKHD-UHFFFAOYSA-N 1 2 243.314 1.604 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000569779291 323040362 /nfs/dbraw/zinc/04/03/62/323040362.db2.gz VPQVDXDBFUQOKZ-ONGXEEELSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1nc(C[NH2+]Cc2c(C)nn(C)c2C)[nH]c1C ZINC000569989360 323046660 /nfs/dbraw/zinc/04/66/60/323046660.db2.gz XEBXCEPMTGPYKX-UHFFFAOYSA-N 1 2 247.346 1.667 20 0 BDADLO Cc1nn(C)c(C)c1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000569989360 323046661 /nfs/dbraw/zinc/04/66/61/323046661.db2.gz XEBXCEPMTGPYKX-UHFFFAOYSA-N 1 2 247.346 1.667 20 0 BDADLO CCOC(C)(C)CNc1nc[nH+]c(N)c1OC ZINC000159871562 323051136 /nfs/dbraw/zinc/05/11/36/323051136.db2.gz YBDHCUUIWRWNNF-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BDADLO CCOC(C)(C)CNc1[nH+]cnc(N)c1OC ZINC000159871562 323051137 /nfs/dbraw/zinc/05/11/37/323051137.db2.gz YBDHCUUIWRWNNF-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BDADLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000570219153 323053005 /nfs/dbraw/zinc/05/30/05/323053005.db2.gz HQOSXPBSGZCOBR-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ccn1 ZINC000570230632 323053593 /nfs/dbraw/zinc/05/35/93/323053593.db2.gz IWGUPRIFSWDLES-LLVKDONJSA-N 1 2 244.298 1.598 20 0 BDADLO O[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000570301233 323055642 /nfs/dbraw/zinc/05/56/42/323055642.db2.gz ZBFQURCSFYOCAA-NSHDSACASA-N 1 2 248.330 1.402 20 0 BDADLO O[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000570301233 323055643 /nfs/dbraw/zinc/05/56/43/323055643.db2.gz ZBFQURCSFYOCAA-NSHDSACASA-N 1 2 248.330 1.402 20 0 BDADLO C[C@@H](O)[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000570421434 323059045 /nfs/dbraw/zinc/05/90/45/323059045.db2.gz XEAKNBRRBJIRIJ-BXKDBHETSA-N 1 2 247.298 1.149 20 0 BDADLO CC(C)C(C)(C)NC(=O)NCc1[nH+]ccn1C ZINC000570427333 323059427 /nfs/dbraw/zinc/05/94/27/323059427.db2.gz CYDJZAQWPFFVMN-UHFFFAOYSA-N 1 2 238.335 1.654 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnccn1 ZINC000570495228 323061073 /nfs/dbraw/zinc/06/10/73/323061073.db2.gz FKPPMLMQPVOIAG-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnccn1 ZINC000570495228 323061074 /nfs/dbraw/zinc/06/10/74/323061074.db2.gz FKPPMLMQPVOIAG-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H]([C@@H](C)O)C1 ZINC000160312880 323064691 /nfs/dbraw/zinc/06/46/91/323064691.db2.gz GSSVEJIZORVNRJ-ZJUUUORDSA-N 1 2 222.288 1.297 20 0 BDADLO CCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000570678241 323066910 /nfs/dbraw/zinc/06/69/10/323066910.db2.gz JKVQIFBDAVNTST-UHFFFAOYSA-N 1 2 208.309 1.534 20 0 BDADLO CCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000570678241 323066911 /nfs/dbraw/zinc/06/69/11/323066911.db2.gz JKVQIFBDAVNTST-UHFFFAOYSA-N 1 2 208.309 1.534 20 0 BDADLO Cc1cscc1NC(=O)Cn1cc[nH+]c1 ZINC000572777551 323067929 /nfs/dbraw/zinc/06/79/29/323067929.db2.gz AORFYRKHHHPKCY-UHFFFAOYSA-N 1 2 221.285 1.892 20 0 BDADLO CCC1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000572779616 323069047 /nfs/dbraw/zinc/06/90/47/323069047.db2.gz PUYJYXFRYHDXOD-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CCC1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000572779616 323069048 /nfs/dbraw/zinc/06/90/48/323069048.db2.gz PUYJYXFRYHDXOD-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000570840057 323072370 /nfs/dbraw/zinc/07/23/70/323072370.db2.gz VCSVLASHHLVHFQ-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000570840057 323072371 /nfs/dbraw/zinc/07/23/71/323072371.db2.gz VCSVLASHHLVHFQ-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000570863825 323072918 /nfs/dbraw/zinc/07/29/18/323072918.db2.gz KVDXWEXLBVTCJD-CKYFFXLPSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000570863825 323072919 /nfs/dbraw/zinc/07/29/19/323072919.db2.gz KVDXWEXLBVTCJD-CKYFFXLPSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1F ZINC000493190692 323085587 /nfs/dbraw/zinc/08/55/87/323085587.db2.gz OSGAZZYTAKADBS-GMCFVEKCSA-N 1 2 237.278 1.820 20 0 BDADLO C[N@H+](Cc1nnc2n1CCC2)[C@H]1C=CCCC1 ZINC000531493926 323098660 /nfs/dbraw/zinc/09/86/60/323098660.db2.gz HDUHZTFMDHCIHR-NSHDSACASA-N 1 2 232.331 1.765 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCC2)[C@H]1C=CCCC1 ZINC000531493926 323098661 /nfs/dbraw/zinc/09/86/61/323098661.db2.gz HDUHZTFMDHCIHR-NSHDSACASA-N 1 2 232.331 1.765 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)C1CC1 ZINC000397927454 323101334 /nfs/dbraw/zinc/10/13/34/323101334.db2.gz KQOFHTQLNDELSK-UJNFCWOMSA-N 1 2 229.345 1.422 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563201807 323101499 /nfs/dbraw/zinc/10/14/99/323101499.db2.gz YIKHTVACNQBRJZ-UWVGGRQHSA-N 1 2 239.294 1.310 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccno2)CCC1(F)F ZINC000404020884 323101621 /nfs/dbraw/zinc/10/16/21/323101621.db2.gz QDRACNZBZZETRA-MRVPVSSYSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccno2)CCC1(F)F ZINC000404020884 323101622 /nfs/dbraw/zinc/10/16/22/323101622.db2.gz QDRACNZBZZETRA-MRVPVSSYSA-N 1 2 232.230 1.124 20 0 BDADLO C[C@@H](CC(=O)NCc1ccoc1)n1cc[nH+]c1 ZINC000570972339 323102272 /nfs/dbraw/zinc/10/22/72/323102272.db2.gz ZGIRWOPKHVMWOQ-JTQLQIEISA-N 1 2 233.271 1.744 20 0 BDADLO CCc1noc(C)c1CNc1nc(C)[nH+]cc1C ZINC000570985819 323102974 /nfs/dbraw/zinc/10/29/74/323102974.db2.gz POZLYQBUDMENOI-UHFFFAOYSA-N 1 2 246.314 1.986 20 0 BDADLO CC[C@H](Nc1nc(N)c2ccccc2[nH+]1)[C@@H](C)O ZINC000571032593 323104166 /nfs/dbraw/zinc/10/41/66/323104166.db2.gz MYDCIWPGTUWLDX-SCZZXKLOSA-N 1 2 246.314 1.036 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(F)cc1 ZINC000401750214 323119281 /nfs/dbraw/zinc/11/92/81/323119281.db2.gz NCSSTJSPYKYHKQ-UHFFFAOYSA-N 1 2 247.273 1.532 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000563411869 323124730 /nfs/dbraw/zinc/12/47/30/323124730.db2.gz GMHWORJPWZDQCN-HLTSFMKQSA-N 1 2 207.277 1.633 20 0 BDADLO CCn1ccc(C(=O)Nc2c[nH+]ccc2OC)n1 ZINC000571210781 323138592 /nfs/dbraw/zinc/13/85/92/323138592.db2.gz WSHUKONPIDPGHZ-UHFFFAOYSA-N 1 2 246.270 1.559 20 0 BDADLO CCn1cc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000571225278 323138692 /nfs/dbraw/zinc/13/86/92/323138692.db2.gz XTPUXIRSABVJMS-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CC(C)(C)c1nc(=NCC[C@H]2CCC[NH2+]2)[nH]o1 ZINC000571423488 323144611 /nfs/dbraw/zinc/14/46/11/323144611.db2.gz YUPUTXHQNIWSIR-SECBINFHSA-N 1 2 238.335 1.343 20 0 BDADLO Cc1ccncc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000571535961 323147150 /nfs/dbraw/zinc/14/71/50/323147150.db2.gz VFDSQXFXMOOHIE-UHFFFAOYSA-N 1 2 233.315 1.670 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCCC(C)(C)C ZINC000572855538 323148988 /nfs/dbraw/zinc/14/89/88/323148988.db2.gz CLVYJJZBMWMCRG-UHFFFAOYSA-N 1 2 248.334 1.624 20 0 BDADLO CO[C@@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000049115415 323157868 /nfs/dbraw/zinc/15/78/68/323157868.db2.gz YPPZWXCXKFCQGL-JTQLQIEISA-N 1 2 245.282 1.846 20 0 BDADLO Cc1cc(NC(=O)c2cncs2)c(C)c[nH+]1 ZINC000535036306 323164296 /nfs/dbraw/zinc/16/42/96/323164296.db2.gz TUGNSMMEOWSYCD-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](C)C2)c(C)c[nH+]1 ZINC000535059628 323164943 /nfs/dbraw/zinc/16/49/43/323164943.db2.gz KEFQNMBGJOHQGH-SECBINFHSA-N 1 2 233.315 1.994 20 0 BDADLO COC(C)(C)CN(C)c1[nH+]cnc2c1cnn2C ZINC000532073578 323171734 /nfs/dbraw/zinc/17/17/34/323171734.db2.gz FHYAWQOREMYQGG-UHFFFAOYSA-N 1 2 249.318 1.225 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000563738577 323176493 /nfs/dbraw/zinc/17/64/93/323176493.db2.gz FSSKIVOVTIUVQD-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000563738577 323176494 /nfs/dbraw/zinc/17/64/94/323176494.db2.gz FSSKIVOVTIUVQD-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)s1 ZINC000563782023 323177621 /nfs/dbraw/zinc/17/76/21/323177621.db2.gz RPMBGCHITANAPY-VIFPVBQESA-N 1 2 238.356 1.631 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)s1 ZINC000563782023 323177622 /nfs/dbraw/zinc/17/76/22/323177622.db2.gz RPMBGCHITANAPY-VIFPVBQESA-N 1 2 238.356 1.631 20 0 BDADLO COC1CC(Sc2nc(N)cc(C)[nH+]2)C1 ZINC000308844822 323179772 /nfs/dbraw/zinc/17/97/72/323179772.db2.gz OVICFAZQSNWHEW-UHFFFAOYSA-N 1 2 225.317 1.637 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC2(F)F)c(C)c[nH+]1 ZINC000563860585 323181381 /nfs/dbraw/zinc/18/13/81/323181381.db2.gz LVZKHZSTLPITPM-MRVPVSSYSA-N 1 2 226.226 1.714 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H](O)C2CC2)c(C)c[nH+]1 ZINC000535774027 323190879 /nfs/dbraw/zinc/19/08/79/323190879.db2.gz MKYOLJITZLPQPM-GFCCVEGCSA-N 1 2 249.314 1.013 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2c1CCC2 ZINC000114338432 323193501 /nfs/dbraw/zinc/19/35/01/323193501.db2.gz YHVCVDOMKIXSEG-UHFFFAOYSA-N 1 2 241.294 1.828 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC(=O)N(CC2CC2)C1 ZINC000571820205 323487112 /nfs/dbraw/zinc/48/71/12/323487112.db2.gz AKGCDXPNIQNHFJ-UHFFFAOYSA-N 1 2 246.314 1.110 20 0 BDADLO Cc1ncncc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571931954 323505348 /nfs/dbraw/zinc/50/53/48/323505348.db2.gz XRZUSJUXIYMUSL-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C1CC(O)C1 ZINC000572015028 323516886 /nfs/dbraw/zinc/51/68/86/323516886.db2.gz HVFWGKXCZJUONC-UHFFFAOYSA-N 1 2 207.277 1.053 20 0 BDADLO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1cscn1 ZINC000161602703 323552363 /nfs/dbraw/zinc/55/23/63/323552363.db2.gz UZRSPWNNQZYIAW-HTQZYQBOSA-N 1 2 248.373 1.227 20 0 BDADLO CCCC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000572333015 323599700 /nfs/dbraw/zinc/59/97/00/323599700.db2.gz OAXPFXXJXZICBU-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CCn1ncc(CN[C@@H](C)c2[nH+]ccn2CC)n1 ZINC000527924578 323730682 /nfs/dbraw/zinc/73/06/82/323730682.db2.gz RAGKDQCANIFUDY-JTQLQIEISA-N 1 2 248.334 1.365 20 0 BDADLO Cc1nc(N2CCC[C@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000120146191 323979968 /nfs/dbraw/zinc/97/99/68/323979968.db2.gz YNMHWWIGSNLRRR-KOLCDFICSA-N 1 2 221.304 1.382 20 0 BDADLO CN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000060760175 324047331 /nfs/dbraw/zinc/04/73/31/324047331.db2.gz XQHJKFJVNSIDOB-UHFFFAOYSA-N 1 2 229.283 1.633 20 0 BDADLO CC(C)c1nc(N[C@@H](C(N)=O)C(C)C)cc[nH+]1 ZINC000152539400 324177574 /nfs/dbraw/zinc/17/75/74/324177574.db2.gz WYBKHODJKFLJAM-SNVBAGLBSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1CC[C@H](C[NH+]=c2[nH]c3ccccc3[nH]2)O1 ZINC000398101902 324217900 /nfs/dbraw/zinc/21/79/00/324217900.db2.gz MYGXKUBPMZNQNZ-VHSXEESVSA-N 1 2 231.299 1.964 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C2CC2)s1 ZINC000528390764 324218933 /nfs/dbraw/zinc/21/89/33/324218933.db2.gz CDVMZIFSYIRBNG-UHFFFAOYSA-N 1 2 241.360 1.620 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C2CC2)s1 ZINC000528390764 324218939 /nfs/dbraw/zinc/21/89/39/324218939.db2.gz CDVMZIFSYIRBNG-UHFFFAOYSA-N 1 2 241.360 1.620 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000529038102 324236827 /nfs/dbraw/zinc/23/68/27/324236827.db2.gz ARUGUGPIMHKWTM-YPMHNXCESA-N 1 2 249.314 1.501 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2cccnn2)c2[nH+]ccn21 ZINC000529457017 324305053 /nfs/dbraw/zinc/30/50/53/324305053.db2.gz IGUSCBBQJXOTIW-WPRPVWTQSA-N 1 2 243.270 1.109 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529570658 324346460 /nfs/dbraw/zinc/34/64/60/324346460.db2.gz WWEZSHCGOPADIS-UHFFFAOYSA-N 1 2 243.310 1.488 20 0 BDADLO COCC1(C)C[NH+](Cc2ccc(F)cn2)C1 ZINC000529604348 324361857 /nfs/dbraw/zinc/36/18/57/324361857.db2.gz COUUMSINCJGGHC-UHFFFAOYSA-N 1 2 224.279 1.689 20 0 BDADLO FC1(F)CC[NH+](Cc2cnccn2)CC1 ZINC000529660285 324372539 /nfs/dbraw/zinc/37/25/39/324372539.db2.gz DFJWWIOFSJELET-UHFFFAOYSA-N 1 2 213.231 1.708 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000529662638 324373521 /nfs/dbraw/zinc/37/35/21/324373521.db2.gz SWRMRBYTPHKBEO-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000529662638 324373524 /nfs/dbraw/zinc/37/35/24/324373524.db2.gz SWRMRBYTPHKBEO-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000529663094 324373845 /nfs/dbraw/zinc/37/38/45/324373845.db2.gz VQTKCXDMQMIGEV-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000529663094 324373850 /nfs/dbraw/zinc/37/38/50/324373850.db2.gz VQTKCXDMQMIGEV-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2cccn2C)CCO1 ZINC000529667604 324374609 /nfs/dbraw/zinc/37/46/09/324374609.db2.gz ZUNFIUFWUYKYNC-CYBMUJFWSA-N 1 2 238.331 1.262 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2cccn2C)CCO1 ZINC000529667604 324374613 /nfs/dbraw/zinc/37/46/13/324374613.db2.gz ZUNFIUFWUYKYNC-CYBMUJFWSA-N 1 2 238.331 1.262 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[C@@H]2C1 ZINC000529687496 324376894 /nfs/dbraw/zinc/37/68/94/324376894.db2.gz FDXRRSUKMGMMBT-PHIMTYICSA-N 1 2 219.288 1.142 20 0 BDADLO C[C@@H](CC(=O)NCC1CC=CC1)n1cc[nH+]c1 ZINC000529707240 324378461 /nfs/dbraw/zinc/37/84/61/324378461.db2.gz QLNLPEMUYKWQCL-NSHDSACASA-N 1 2 233.315 1.917 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC=CC1 ZINC000529710494 324384264 /nfs/dbraw/zinc/38/42/64/324384264.db2.gz WPJOMSBOVUORIM-VXGBXAGGSA-N 1 2 245.326 1.606 20 0 BDADLO CC1(C)CN(C[NH+]2CCSCC2)C(=O)O1 ZINC000123785776 324602211 /nfs/dbraw/zinc/60/22/11/324602211.db2.gz NEUXPKHBMXIXJE-UHFFFAOYSA-N 1 2 230.333 1.224 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653558702 487965437 /nfs/dbraw/zinc/96/54/37/487965437.db2.gz PTFPQZWSEXBETO-NXEZZACHSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653558702 487965443 /nfs/dbraw/zinc/96/54/43/487965443.db2.gz PTFPQZWSEXBETO-NXEZZACHSA-N 1 2 237.351 1.658 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682450773 487966200 /nfs/dbraw/zinc/96/62/00/487966200.db2.gz KCTZZYQQGXZEHI-NWDGAFQWSA-N 1 2 249.358 1.948 20 0 BDADLO CCc1cc(N2CC(n3ccnc3)C2)nc(C)[nH+]1 ZINC000542019811 325004747 /nfs/dbraw/zinc/00/47/47/325004747.db2.gz ITBLZLHEDYPEIF-UHFFFAOYSA-N 1 2 243.314 1.605 20 0 BDADLO Cc1cccc(C[NH2+][C@H](C)c2nccn2C)n1 ZINC000070445411 325010048 /nfs/dbraw/zinc/01/00/48/325010048.db2.gz KIVHQIUPQVNPQP-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)nc1 ZINC000131868863 325188255 /nfs/dbraw/zinc/18/82/55/325188255.db2.gz GDLPLXIOQHXFMW-LBPRGKRZSA-N 1 2 233.315 1.230 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)nc1 ZINC000131868863 325188258 /nfs/dbraw/zinc/18/82/58/325188258.db2.gz GDLPLXIOQHXFMW-LBPRGKRZSA-N 1 2 233.315 1.230 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@@H](CC)C(=O)OCC)CCO1 ZINC000131939576 325191777 /nfs/dbraw/zinc/19/17/77/325191777.db2.gz AEGDPDMCRYRDRS-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@@H](CC)C(=O)OCC)CCO1 ZINC000131939576 325191778 /nfs/dbraw/zinc/19/17/78/325191778.db2.gz AEGDPDMCRYRDRS-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@](C)(O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000133178158 325275181 /nfs/dbraw/zinc/27/51/81/325275181.db2.gz DGUGPJGSKHLQSE-ZDUSSCGKSA-N 1 2 246.314 1.785 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000075618453 325304313 /nfs/dbraw/zinc/30/43/13/325304313.db2.gz GZHGUTXWRDGFGX-JTQLQIEISA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000075618453 325304316 /nfs/dbraw/zinc/30/43/16/325304316.db2.gz GZHGUTXWRDGFGX-JTQLQIEISA-N 1 2 239.706 1.185 20 0 BDADLO Cc1cnc(C[N@H+](C)CCn2cccn2)o1 ZINC000075721919 325308112 /nfs/dbraw/zinc/30/81/12/325308112.db2.gz VBZSBPYXYXGVOJ-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCn2cccn2)o1 ZINC000075721919 325308114 /nfs/dbraw/zinc/30/81/14/325308114.db2.gz VBZSBPYXYXGVOJ-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000547422212 325352959 /nfs/dbraw/zinc/35/29/59/325352959.db2.gz CYUVZNNDWGYAIR-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000547422212 325352960 /nfs/dbraw/zinc/35/29/60/325352960.db2.gz CYUVZNNDWGYAIR-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000547422213 325352996 /nfs/dbraw/zinc/35/29/96/325352996.db2.gz CYUVZNNDWGYAIR-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000547422213 325352998 /nfs/dbraw/zinc/35/29/98/325352998.db2.gz CYUVZNNDWGYAIR-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(Cc1ccccc1F)NCCc1[nH]cc[nH+]1 ZINC000134495162 325361448 /nfs/dbraw/zinc/36/14/48/325361448.db2.gz ODXLCQHFYUKLJA-UHFFFAOYSA-N 1 2 247.273 1.450 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCC1CC1 ZINC000547482093 325361530 /nfs/dbraw/zinc/36/15/30/325361530.db2.gz YMBFYRVFDNSZTL-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000547483500 325361899 /nfs/dbraw/zinc/36/18/99/325361899.db2.gz RHMTXCKCXVZXOW-GHMZBOCLSA-N 1 2 235.331 1.515 20 0 BDADLO CN(Cc1cccnc1)C(=O)Cc1c[nH+]cn1C ZINC000547540115 325371586 /nfs/dbraw/zinc/37/15/86/325371586.db2.gz UGVUEKKSBWBRRP-UHFFFAOYSA-N 1 2 244.298 1.016 20 0 BDADLO CCC(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000547603362 325373624 /nfs/dbraw/zinc/37/36/24/325373624.db2.gz HLESADGQCJCZBM-UHFFFAOYSA-N 1 2 209.293 1.267 20 0 BDADLO c1ccc(NCCCCNc2cccnn2)[nH+]c1 ZINC000547762619 325393107 /nfs/dbraw/zinc/39/31/07/325393107.db2.gz ZRXGKYQOPZZVTO-UHFFFAOYSA-N 1 2 243.314 1.598 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@](C)(CC)C1 ZINC000135645703 325421222 /nfs/dbraw/zinc/42/12/22/325421222.db2.gz NGJAPJSUCBLAQP-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CC(=O)[C@H](NC(=O)C[NH+]1[C@H](C)C[C@H]1C)C(C)C ZINC000548097179 325429312 /nfs/dbraw/zinc/42/93/12/325429312.db2.gz ANZGSUYGLQHSCJ-GIPNMCIBSA-N 1 2 240.347 1.199 20 0 BDADLO CC[C@@H](C)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000136020657 325437764 /nfs/dbraw/zinc/43/77/64/325437764.db2.gz RQKBQTADNJZBEP-VQCYPWCPSA-N 1 2 221.304 1.831 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000548190938 325440180 /nfs/dbraw/zinc/44/01/80/325440180.db2.gz WGOTYNXEIPEHFK-NXEZZACHSA-N 1 2 221.304 1.077 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1C=CCCC1 ZINC000548636221 325470477 /nfs/dbraw/zinc/47/04/77/325470477.db2.gz VKCAEYMUINTPGA-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1coc(C)c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000550319033 325528894 /nfs/dbraw/zinc/52/88/94/325528894.db2.gz YYISMYATALLLLI-UHFFFAOYSA-N 1 2 245.282 1.790 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000552845138 325667066 /nfs/dbraw/zinc/66/70/66/325667066.db2.gz LBXVDQNDTJLHTJ-LLVKDONJSA-N 1 2 235.331 1.608 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000552845139 325667182 /nfs/dbraw/zinc/66/71/82/325667182.db2.gz LBXVDQNDTJLHTJ-NSHDSACASA-N 1 2 235.331 1.608 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)C(F)(F)F ZINC000554600429 325730292 /nfs/dbraw/zinc/73/02/92/325730292.db2.gz YGIUJTRORNAVBT-SSDOTTSWSA-N 1 2 249.236 1.277 20 0 BDADLO Cc1occc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000555221968 325749858 /nfs/dbraw/zinc/74/98/58/325749858.db2.gz PYLJPGQWWIDXIK-UHFFFAOYSA-N 1 2 233.271 1.443 20 0 BDADLO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1csnn1 ZINC000555338515 325754135 /nfs/dbraw/zinc/75/41/35/325754135.db2.gz GPXQBEZCKCANDP-SNVBAGLBSA-N 1 2 249.343 1.439 20 0 BDADLO CCc1onc(C)c1NC(=O)Cn1cc[nH+]c1 ZINC000556221635 325785424 /nfs/dbraw/zinc/78/54/24/325785424.db2.gz DLRBSNOTFITBGR-UHFFFAOYSA-N 1 2 234.259 1.381 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000153129174 325904562 /nfs/dbraw/zinc/90/45/62/325904562.db2.gz SAUSLWHJHKLKKA-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(NC(=O)c2cncn2C)c(C)c[nH+]1 ZINC000565391742 325904677 /nfs/dbraw/zinc/90/46/77/325904677.db2.gz XFFYQAYXDPBNRB-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000566084488 325991552 /nfs/dbraw/zinc/99/15/52/325991552.db2.gz HGAREFGAOMDBDH-OPRDCNLKSA-N 1 2 232.283 1.584 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000566101371 325994435 /nfs/dbraw/zinc/99/44/35/325994435.db2.gz KWXYXPZHBIYPPB-SNVBAGLBSA-N 1 2 239.344 1.401 20 0 BDADLO CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)C(=O)[O-] ZINC000566228255 326018659 /nfs/dbraw/zinc/01/86/59/326018659.db2.gz YWTIDOUIMBNTLM-GFCCVEGCSA-N 1 2 236.315 1.775 20 0 BDADLO C[C@@H](CC(=O)N1CCOC[C@H]1C)n1cc[nH+]c1 ZINC000566303766 326030964 /nfs/dbraw/zinc/03/09/64/326030964.db2.gz KDZZTAUYLHYZTJ-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H](CC(=O)N1C[C@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000566304784 326031646 /nfs/dbraw/zinc/03/16/46/326031646.db2.gz QDGYVUWFRNQRKB-TUAOUCFPSA-N 1 2 235.331 1.949 20 0 BDADLO CC[C@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418924 326043119 /nfs/dbraw/zinc/04/31/19/326043119.db2.gz LJDPZHHAPJAFHA-APPZFPTMSA-N 1 2 213.281 1.142 20 0 BDADLO CC[C@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418924 326043123 /nfs/dbraw/zinc/04/31/23/326043123.db2.gz LJDPZHHAPJAFHA-APPZFPTMSA-N 1 2 213.281 1.142 20 0 BDADLO COC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000566446224 326048794 /nfs/dbraw/zinc/04/87/94/326048794.db2.gz HFXNBSARLHWNPL-SECBINFHSA-N 1 2 247.298 1.407 20 0 BDADLO Cc1ncccc1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566471432 326052657 /nfs/dbraw/zinc/05/26/57/326052657.db2.gz VIHHATHSIVTDFV-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)C[C@H]1F)c1[nH]cc[nH+]1 ZINC000566471031 326052902 /nfs/dbraw/zinc/05/29/02/326052902.db2.gz QSVHQKZAAPFDFI-XSSZXYGBSA-N 1 2 211.240 1.335 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC(=O)N(C)C1 ZINC000566480099 326055245 /nfs/dbraw/zinc/05/52/45/326055245.db2.gz YBYQFJMCGGMUBG-JTQLQIEISA-N 1 2 234.303 1.126 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)Cc1ccncc1 ZINC000566571457 326065458 /nfs/dbraw/zinc/06/54/58/326065458.db2.gz BJYYNFUPHKXPCA-NSHDSACASA-N 1 2 242.326 1.953 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000677117597 487971722 /nfs/dbraw/zinc/97/17/22/487971722.db2.gz YAYPLBXWDLJAEA-LLVKDONJSA-N 1 2 247.342 1.560 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)CC[S@@](C)=O ZINC000566985653 326100188 /nfs/dbraw/zinc/10/01/88/326100188.db2.gz SAZOHGVJICVLSB-XXFAHNHDSA-N 1 2 241.360 1.084 20 0 BDADLO CC[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000567003574 326100576 /nfs/dbraw/zinc/10/05/76/326100576.db2.gz NTCFAPCMSRIKJD-LLVKDONJSA-N 1 2 209.293 1.088 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153638765 326104919 /nfs/dbraw/zinc/10/49/19/326104919.db2.gz ZKDBPIUVLPFPFT-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CCC1 ZINC000567121537 326120238 /nfs/dbraw/zinc/12/02/38/326120238.db2.gz JDJBQVVOYSPXJQ-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CCC1 ZINC000567121537 326120239 /nfs/dbraw/zinc/12/02/39/326120239.db2.gz JDJBQVVOYSPXJQ-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cnn1C ZINC000567172859 326128847 /nfs/dbraw/zinc/12/88/47/326128847.db2.gz AZJLENXIZRTJGT-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CCC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000155605019 326203415 /nfs/dbraw/zinc/20/34/15/326203415.db2.gz PIUHFRQGSVGBLV-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1cncc(CNC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000567518562 326208843 /nfs/dbraw/zinc/20/88/43/326208843.db2.gz UREDTYYPTXGNTI-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Cn1cc[nH+]c1 ZINC000682503876 487971783 /nfs/dbraw/zinc/97/17/83/487971783.db2.gz QYRFYVORAHAEHS-HBNTYKKESA-N 1 2 221.304 1.291 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC000568016521 326296189 /nfs/dbraw/zinc/29/61/89/326296189.db2.gz FRAXARGGSGGLFP-GHMZBOCLSA-N 1 2 221.304 1.703 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncccc2O)CCC1=O ZINC000568166094 326317558 /nfs/dbraw/zinc/31/75/58/326317558.db2.gz CLUAATLLMHWWCR-SECBINFHSA-N 1 2 220.272 1.198 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncccc2O)CCC1=O ZINC000568166094 326317559 /nfs/dbraw/zinc/31/75/59/326317559.db2.gz CLUAATLLMHWWCR-SECBINFHSA-N 1 2 220.272 1.198 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)no1 ZINC000568189614 326323550 /nfs/dbraw/zinc/32/35/50/326323550.db2.gz OCRRQXFPRBPGFE-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)no1 ZINC000568189614 326323551 /nfs/dbraw/zinc/32/35/51/326323551.db2.gz OCRRQXFPRBPGFE-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1cc(C)on1 ZINC000568228268 326329211 /nfs/dbraw/zinc/32/92/11/326329211.db2.gz UGGSHKWLHPPZAC-UHFFFAOYSA-N 1 2 248.286 1.058 20 0 BDADLO CCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568228505 326329589 /nfs/dbraw/zinc/32/95/89/326329589.db2.gz BMBUZCCONSQCQS-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568228505 326329590 /nfs/dbraw/zinc/32/95/90/326329590.db2.gz BMBUZCCONSQCQS-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCc1ccco1 ZINC000158609635 326331803 /nfs/dbraw/zinc/33/18/03/326331803.db2.gz VUIOMBBFGVEMGD-AATRIKPKSA-N 1 2 245.282 1.826 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CC[C@H](C)O1 ZINC000568249242 326334748 /nfs/dbraw/zinc/33/47/48/326334748.db2.gz LNXHHDBPWYYKPI-GXSJLCMTSA-N 1 2 221.304 1.495 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1nncs1 ZINC000158679740 326336798 /nfs/dbraw/zinc/33/67/98/326336798.db2.gz OBALZRAEBYTRNL-ONEGZZNKSA-N 1 2 249.299 1.406 20 0 BDADLO C[C@@H](NC(=O)c1conc1C1CC1)c1[nH]cc[nH+]1 ZINC000568306129 326343643 /nfs/dbraw/zinc/34/36/43/326343643.db2.gz POEUXWPCEHXMLB-SSDOTTSWSA-N 1 2 246.270 1.766 20 0 BDADLO CCO[C@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000568402815 326354810 /nfs/dbraw/zinc/35/48/10/326354810.db2.gz XKMSANGVKAQOOG-SECBINFHSA-N 1 2 239.319 1.494 20 0 BDADLO COC(=O)CCC[NH+]1CC(C(F)(F)F)C1 ZINC000568564459 326365382 /nfs/dbraw/zinc/36/53/82/326365382.db2.gz XXBNYYFVRZOHRP-UHFFFAOYSA-N 1 2 225.210 1.434 20 0 BDADLO CC(C)OCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000568779932 326377440 /nfs/dbraw/zinc/37/74/40/326377440.db2.gz SQIJNTJZUICEGW-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO CC(C)OCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000568779932 326377442 /nfs/dbraw/zinc/37/74/42/326377442.db2.gz SQIJNTJZUICEGW-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC000569108083 326390616 /nfs/dbraw/zinc/39/06/16/326390616.db2.gz JLFQOVUKUWKWEQ-MNOVXSKESA-N 1 2 233.315 1.751 20 0 BDADLO CCc1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000569258950 326398504 /nfs/dbraw/zinc/39/85/04/326398504.db2.gz OPPBCTWPXBRUSH-SECBINFHSA-N 1 2 244.298 1.858 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000682515984 487973889 /nfs/dbraw/zinc/97/38/89/487973889.db2.gz BOCJRAQWNVREOQ-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000679994733 487974995 /nfs/dbraw/zinc/97/49/95/487974995.db2.gz ZYMZCZLACKUAPJ-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO CC(C)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000677125111 487976392 /nfs/dbraw/zinc/97/63/92/487976392.db2.gz IYWMMQQSJXNWAU-UHFFFAOYSA-N 1 2 243.314 1.755 20 0 BDADLO COCC[C@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544360 487983572 /nfs/dbraw/zinc/98/35/72/487983572.db2.gz QGROXXDMOZNKJY-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544360 487983575 /nfs/dbraw/zinc/98/35/75/487983575.db2.gz QGROXXDMOZNKJY-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](F)C2)c(C)c[nH+]1 ZINC000652797833 487987481 /nfs/dbraw/zinc/98/74/81/487987481.db2.gz UVIHJPGPTGPPSL-JTQLQIEISA-N 1 2 237.278 1.696 20 0 BDADLO O[C@H]1C[N@H+](CC[C@H]2CCOC2)CC(F)(F)C1 ZINC000682559973 487988761 /nfs/dbraw/zinc/98/87/61/487988761.db2.gz YZCVQMPWQLZDJG-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1C[N@@H+](CC[C@H]2CCOC2)CC(F)(F)C1 ZINC000682559973 487988768 /nfs/dbraw/zinc/98/87/68/487988768.db2.gz YZCVQMPWQLZDJG-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CCO1 ZINC000682558311 487989307 /nfs/dbraw/zinc/98/93/07/487989307.db2.gz KSIKHKVTOURWKM-MXWKQRLJSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+]2C[C@@H](O)CC(F)(F)C2)CCO1 ZINC000682558311 487989311 /nfs/dbraw/zinc/98/93/11/487989311.db2.gz KSIKHKVTOURWKM-MXWKQRLJSA-N 1 2 249.301 1.503 20 0 BDADLO CC(C)[C@H](C)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665694973 487991729 /nfs/dbraw/zinc/99/17/29/487991729.db2.gz ZAQWRPJXNNGPQG-VIFPVBQESA-N 1 2 236.319 1.762 20 0 BDADLO CC(C)[C@H](C)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665694973 487991738 /nfs/dbraw/zinc/99/17/38/487991738.db2.gz ZAQWRPJXNNGPQG-VIFPVBQESA-N 1 2 236.319 1.762 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665702327 487992992 /nfs/dbraw/zinc/99/29/92/487992992.db2.gz XFBSWUWJEYGEAX-DTWKUNHWSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1[nH+]cnc2c1OCCN2 ZINC000665702327 487992996 /nfs/dbraw/zinc/99/29/96/487992996.db2.gz XFBSWUWJEYGEAX-DTWKUNHWSA-N 1 2 234.303 1.516 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000682089181 487995965 /nfs/dbraw/zinc/99/59/65/487995965.db2.gz KYIWQLFFBSJAKE-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000682089181 487995971 /nfs/dbraw/zinc/99/59/71/487995971.db2.gz KYIWQLFFBSJAKE-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000668605004 487998389 /nfs/dbraw/zinc/99/83/89/487998389.db2.gz ZLQQRMITXDUCKW-MRVPVSSYSA-N 1 2 207.277 1.462 20 0 BDADLO c1nc(N2CCO[C@@H]3C[C@@H]32)cc(NC2CC2)[nH+]1 ZINC000665720496 487999124 /nfs/dbraw/zinc/99/91/24/487999124.db2.gz MMGSGKLSLCRFSD-VHSXEESVSA-N 1 2 232.287 1.028 20 0 BDADLO c1nc(NC2CC2)cc(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000665720496 487999132 /nfs/dbraw/zinc/99/91/32/487999132.db2.gz MMGSGKLSLCRFSD-VHSXEESVSA-N 1 2 232.287 1.028 20 0 BDADLO C[C@H]1SCC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655160296 488005422 /nfs/dbraw/zinc/00/54/22/488005422.db2.gz JCIJRTRETXLIMG-ZJUUUORDSA-N 1 2 242.388 1.338 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309648640 488010929 /nfs/dbraw/zinc/01/09/29/488010929.db2.gz NHATZYLIFJNSMZ-XXILOJSOSA-N 1 2 223.320 1.936 20 0 BDADLO CCN(C[C@H]1CCOC1)c1cccc[nH+]1 ZINC000682394508 488019924 /nfs/dbraw/zinc/01/99/24/488019924.db2.gz SRJDTPSXXFTKNF-LLVKDONJSA-N 1 2 206.289 1.944 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667492341 488025428 /nfs/dbraw/zinc/02/54/28/488025428.db2.gz DUUSHTYWXKEISE-NSHDSACASA-N 1 2 235.331 1.514 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667492341 488025433 /nfs/dbraw/zinc/02/54/33/488025433.db2.gz DUUSHTYWXKEISE-NSHDSACASA-N 1 2 235.331 1.514 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667494002 488026908 /nfs/dbraw/zinc/02/69/08/488026908.db2.gz KHHTXSHAKFAQPS-LBPRGKRZSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C3CC3)cnn2C)CCO1 ZINC000667494002 488026912 /nfs/dbraw/zinc/02/69/12/488026912.db2.gz KHHTXSHAKFAQPS-LBPRGKRZSA-N 1 2 249.358 1.908 20 0 BDADLO OCc1ccc(C[NH2+]CC(F)F)cc1 ZINC000227575229 488034999 /nfs/dbraw/zinc/03/49/99/488034999.db2.gz MYKRTFGWABJLQA-UHFFFAOYSA-N 1 2 201.216 1.534 20 0 BDADLO OCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000227575073 488035010 /nfs/dbraw/zinc/03/50/10/488035010.db2.gz WWLVPMTXGRXZQW-UHFFFAOYSA-N 1 2 218.256 1.457 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)CO1 ZINC000667517937 488036667 /nfs/dbraw/zinc/03/66/67/488036667.db2.gz JWKFIRBXSBRSBB-GHMZBOCLSA-N 1 2 235.331 1.439 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnnn2C)nc1 ZINC000682786835 488040265 /nfs/dbraw/zinc/04/02/65/488040265.db2.gz BYJDLFJMDYBUQM-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnnn2C)nc1 ZINC000682786835 488040269 /nfs/dbraw/zinc/04/02/69/488040269.db2.gz BYJDLFJMDYBUQM-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000667556649 488045254 /nfs/dbraw/zinc/04/52/54/488045254.db2.gz BXTKJELEOAKKPB-AAEUAGOBSA-N 1 2 249.358 1.829 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1(O)CCOCC1 ZINC000656119027 488050769 /nfs/dbraw/zinc/05/07/69/488050769.db2.gz OXEGRRRNHWLABM-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BDADLO Cc1cnc(NC[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000677503339 488054075 /nfs/dbraw/zinc/05/40/75/488054075.db2.gz BXSUKCVIKSJFPQ-LLVKDONJSA-N 1 2 231.303 1.730 20 0 BDADLO CC(=O)c1ccc(N2CCn3cc[nH+]c3C2)nc1 ZINC000212850875 488060280 /nfs/dbraw/zinc/06/02/80/488060280.db2.gz UPNWTJCTWHPWFX-UHFFFAOYSA-N 1 2 242.282 1.501 20 0 BDADLO CCc1cc(N(C)C[C@@H](C)OC)nc[nH+]1 ZINC000672337904 488064322 /nfs/dbraw/zinc/06/43/22/488064322.db2.gz KVGAJDJTGRBGHT-SECBINFHSA-N 1 2 209.293 1.510 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682492582 488071475 /nfs/dbraw/zinc/07/14/75/488071475.db2.gz BCANVJBXQWWNMC-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO COCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123438763 488073292 /nfs/dbraw/zinc/07/32/92/488073292.db2.gz ABZSJMVBHLVJCG-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO COCc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123438763 488073296 /nfs/dbraw/zinc/07/32/96/488073296.db2.gz ABZSJMVBHLVJCG-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO COC[C@H](C)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000683000520 488083352 /nfs/dbraw/zinc/08/33/52/488083352.db2.gz CFEMAIYQHJWRPH-SNVBAGLBSA-N 1 2 247.302 1.357 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)ccn1 ZINC000683002820 488084150 /nfs/dbraw/zinc/08/41/50/488084150.db2.gz QCPGTTKZEQWRTM-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C)ccn1 ZINC000683002820 488084153 /nfs/dbraw/zinc/08/41/53/488084153.db2.gz QCPGTTKZEQWRTM-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)CCO1 ZINC000249057551 488087356 /nfs/dbraw/zinc/08/73/56/488087356.db2.gz NTJAWMAPPHXIDS-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)CCO1 ZINC000249057551 488087363 /nfs/dbraw/zinc/08/73/63/488087363.db2.gz NTJAWMAPPHXIDS-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000672344880 488087983 /nfs/dbraw/zinc/08/79/83/488087983.db2.gz HNXXXMNDMUMGAI-MXWKQRLJSA-N 1 2 233.315 1.360 20 0 BDADLO CCc1cc(NC[C@@](C)(O)C(F)(F)F)nc[nH+]1 ZINC000677651454 488089129 /nfs/dbraw/zinc/08/91/29/488089129.db2.gz ARPYBHNKHKOBIY-SECBINFHSA-N 1 2 249.236 1.764 20 0 BDADLO C[C@H]1C[C@@H]1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000683108931 488107511 /nfs/dbraw/zinc/10/75/11/488107511.db2.gz AMAWHHCCHYAPSO-WDEREUQCSA-N 1 2 235.331 1.578 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667763627 488111634 /nfs/dbraw/zinc/11/16/34/488111634.db2.gz DSWAQKDSXJIKQO-NXEZZACHSA-N 1 2 235.331 1.772 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667763627 488111640 /nfs/dbraw/zinc/11/16/40/488111640.db2.gz DSWAQKDSXJIKQO-NXEZZACHSA-N 1 2 235.331 1.772 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccsc2)nn1 ZINC000677761310 488118699 /nfs/dbraw/zinc/11/86/99/488118699.db2.gz VBVVGBCNJHQWBG-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccsc2)nn1 ZINC000677761310 488118701 /nfs/dbraw/zinc/11/87/01/488118701.db2.gz VBVVGBCNJHQWBG-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cc1oc(C)c(C(=O)NCCn2cc[nH+]c2)c1C ZINC000041979639 488128531 /nfs/dbraw/zinc/12/85/31/488128531.db2.gz JCNLDVIPYVWMRJ-UHFFFAOYSA-N 1 2 247.298 1.831 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)CC1(C)CC1 ZINC000683214796 488131309 /nfs/dbraw/zinc/13/13/09/488131309.db2.gz IMWIXKUGCSAHBM-UHFFFAOYSA-N 1 2 233.315 1.698 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000685574974 487543329 /nfs/dbraw/zinc/54/33/29/487543329.db2.gz SLUWFBJINIXGLR-VIFPVBQESA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCCNC(=O)[C@@H]2C)o1 ZINC000685574974 487543332 /nfs/dbraw/zinc/54/33/32/487543332.db2.gz SLUWFBJINIXGLR-VIFPVBQESA-N 1 2 237.303 1.002 20 0 BDADLO COCCc1nc(C[N@H+](C)CCC(C)C)no1 ZINC000685561540 487543555 /nfs/dbraw/zinc/54/35/55/487543555.db2.gz NPAJXMMNXUWRKD-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO COCCc1nc(C[N@@H+](C)CCC(C)C)no1 ZINC000685561540 487543561 /nfs/dbraw/zinc/54/35/61/487543561.db2.gz NPAJXMMNXUWRKD-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1c(C)noc1C ZINC000134917640 487544344 /nfs/dbraw/zinc/54/43/44/487544344.db2.gz SUEFKBDRWWRRCV-UHFFFAOYSA-N 1 2 249.274 1.284 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1c(C)noc1C ZINC000134917640 487544349 /nfs/dbraw/zinc/54/43/49/487544349.db2.gz SUEFKBDRWWRRCV-UHFFFAOYSA-N 1 2 249.274 1.284 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000119491913 487552983 /nfs/dbraw/zinc/55/29/83/487552983.db2.gz DJYNIUZHBOHNTP-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000119491913 487552988 /nfs/dbraw/zinc/55/29/88/487552988.db2.gz DJYNIUZHBOHNTP-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccnnc2)c1 ZINC000680256190 487553615 /nfs/dbraw/zinc/55/36/15/487553615.db2.gz YRZXEINSIJMWFJ-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cnccn2)c1 ZINC000680260272 487554743 /nfs/dbraw/zinc/55/47/43/487554743.db2.gz RGWXDDGVTPQGNY-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000668786525 487531623 /nfs/dbraw/zinc/53/16/23/487531623.db2.gz CDGCVUWOMRAKOR-JOYOIKCWSA-N 1 2 249.339 1.750 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C)c1ccsc1 ZINC000380357902 487471605 /nfs/dbraw/zinc/47/16/05/487471605.db2.gz XEVCUVIZLXXNGI-SSDOTTSWSA-N 1 2 223.305 1.122 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc2ccccn21 ZINC000679852950 487472362 /nfs/dbraw/zinc/47/23/62/487472362.db2.gz UKGMTAQKIHDMLP-JTQLQIEISA-N 1 2 234.303 1.196 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000679852950 487472369 /nfs/dbraw/zinc/47/23/69/487472369.db2.gz UKGMTAQKIHDMLP-JTQLQIEISA-N 1 2 234.303 1.196 20 0 BDADLO Cc1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000093505263 487472783 /nfs/dbraw/zinc/47/27/83/487472783.db2.gz XXNKZFRLLMPUMT-UHFFFAOYSA-N 1 2 202.261 1.647 20 0 BDADLO Cc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccn1C ZINC000684951737 487474271 /nfs/dbraw/zinc/47/42/71/487474271.db2.gz ZAXKWSDKSKHBAA-JTQLQIEISA-N 1 2 246.314 1.349 20 0 BDADLO CN(CC(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000673916028 487478080 /nfs/dbraw/zinc/47/80/80/487478080.db2.gz SCAIUSAFVYKNET-UHFFFAOYSA-N 1 2 244.298 1.162 20 0 BDADLO CN(CC(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000673916028 487478081 /nfs/dbraw/zinc/47/80/81/487478081.db2.gz SCAIUSAFVYKNET-UHFFFAOYSA-N 1 2 244.298 1.162 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccnc(C2CC2)n1 ZINC000673935170 487485331 /nfs/dbraw/zinc/48/53/31/487485331.db2.gz LOKIGBOZJSFRDX-UHFFFAOYSA-N 1 2 243.270 1.007 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccnc(C2CC2)n1 ZINC000673935170 487485335 /nfs/dbraw/zinc/48/53/35/487485335.db2.gz LOKIGBOZJSFRDX-UHFFFAOYSA-N 1 2 243.270 1.007 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000673935342 487485346 /nfs/dbraw/zinc/48/53/46/487485346.db2.gz MTTPDRNLQHAHHD-SECBINFHSA-N 1 2 225.292 1.087 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000673935342 487485349 /nfs/dbraw/zinc/48/53/49/487485349.db2.gz MTTPDRNLQHAHHD-SECBINFHSA-N 1 2 225.292 1.087 20 0 BDADLO COc1ccnc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000673945673 487488085 /nfs/dbraw/zinc/48/80/85/487488085.db2.gz ZXRRBUJNKSLCJN-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000668759439 487493117 /nfs/dbraw/zinc/49/31/17/487493117.db2.gz IDXIXTMFKKWFNX-CMPLNLGQSA-N 1 2 249.314 1.082 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000668759440 487493247 /nfs/dbraw/zinc/49/32/47/487493247.db2.gz IDXIXTMFKKWFNX-JQWIXIFHSA-N 1 2 249.314 1.082 20 0 BDADLO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000094088201 487512530 /nfs/dbraw/zinc/51/25/30/487512530.db2.gz SZHMXCFAUGLDAY-ZDUSSCGKSA-N 1 2 228.299 1.769 20 0 BDADLO Cc1ncc(NC(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000665976817 487510403 /nfs/dbraw/zinc/51/04/03/487510403.db2.gz BTUIDOFRWDBXDI-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO Cc1ncc(NC(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000665976817 487510407 /nfs/dbraw/zinc/51/04/07/487510407.db2.gz BTUIDOFRWDBXDI-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000134543801 487516632 /nfs/dbraw/zinc/51/66/32/487516632.db2.gz ZNKVNDAMEHCCFA-SCZZXKLOSA-N 1 2 209.293 1.548 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CCC2 ZINC000675296699 487517044 /nfs/dbraw/zinc/51/70/44/487517044.db2.gz PYBBRJYLJZNIIJ-MNOVXSKESA-N 1 2 233.315 1.578 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000685447023 487524723 /nfs/dbraw/zinc/52/47/23/487524723.db2.gz GHSCFXUWSOMZGX-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000685447023 487524725 /nfs/dbraw/zinc/52/47/25/487524725.db2.gz GHSCFXUWSOMZGX-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(C)cc1OC ZINC000668788352 487534036 /nfs/dbraw/zinc/53/40/36/487534036.db2.gz NGISEKCGVXCFTG-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(C)cc1OC ZINC000668788352 487534044 /nfs/dbraw/zinc/53/40/44/487534044.db2.gz NGISEKCGVXCFTG-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(OC)ccc1F ZINC000668788357 487534212 /nfs/dbraw/zinc/53/42/12/487534212.db2.gz NKDYKNUGBDVHLQ-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(OC)ccc1F ZINC000668788357 487534218 /nfs/dbraw/zinc/53/42/18/487534218.db2.gz NKDYKNUGBDVHLQ-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO O=C1NCCc2ccc(NCc3[nH]cc[nH+]3)cc21 ZINC000676325913 487837623 /nfs/dbraw/zinc/83/76/23/487837623.db2.gz ZIQXECWXZPCQKB-UHFFFAOYSA-N 1 2 242.282 1.308 20 0 BDADLO Cn1cc[nH+]c1CN1CC(C(F)F)C1 ZINC000676720304 487905437 /nfs/dbraw/zinc/90/54/37/487905437.db2.gz NJEIMVOUJYUCER-UHFFFAOYSA-N 1 2 201.220 1.117 20 0 BDADLO c1ncn(-c2ccc(NCc3cocn3)[nH+]c2)n1 ZINC000683205330 488130356 /nfs/dbraw/zinc/13/03/56/488130356.db2.gz UQEVXTDUQKYMKN-UHFFFAOYSA-N 1 2 242.242 1.262 20 0 BDADLO CCn1nccc1CNc1[nH+]cccc1OC ZINC000677852979 488140391 /nfs/dbraw/zinc/14/03/91/488140391.db2.gz OZFHDHCOYZXXMG-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CCC[C@@H]1C ZINC000230720941 488140987 /nfs/dbraw/zinc/14/09/87/488140987.db2.gz PVDOQWXMIAXILT-DTWKUNHWSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CCC[C@@H]1C ZINC000230720941 488140991 /nfs/dbraw/zinc/14/09/91/488140991.db2.gz PVDOQWXMIAXILT-DTWKUNHWSA-N 1 2 236.319 1.916 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663999656 488149390 /nfs/dbraw/zinc/14/93/90/488149390.db2.gz LXJPVBDQYAQPHU-ILWJIGKKSA-N 1 2 243.314 1.914 20 0 BDADLO CCn1cc(C[NH2+]Cc2scnc2C)nn1 ZINC000404426985 488158547 /nfs/dbraw/zinc/15/85/47/488158547.db2.gz IPUOAZBVABACBE-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCC[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000683456245 488165127 /nfs/dbraw/zinc/16/51/27/488165127.db2.gz GFKQFPNNUYRJRZ-ZETCQYMHSA-N 1 2 234.307 1.546 20 0 BDADLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000677959318 488165558 /nfs/dbraw/zinc/16/55/58/488165558.db2.gz MDVYMYCONUYYKR-VHSXEESVSA-N 1 2 234.303 1.112 20 0 BDADLO CCCn1cc(C(=O)Nc2cc[nH+]cc2C)nn1 ZINC000678005560 488172482 /nfs/dbraw/zinc/17/24/82/488172482.db2.gz KYSSNXGCHPHHBU-UHFFFAOYSA-N 1 2 245.286 1.066 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)Cc1ccncc1 ZINC000667975964 488172838 /nfs/dbraw/zinc/17/28/38/488172838.db2.gz BZACXYAHRRKEGW-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccncc1 ZINC000667975964 488172840 /nfs/dbraw/zinc/17/28/40/488172840.db2.gz BZACXYAHRRKEGW-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO COC(C)(C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000230942523 488174055 /nfs/dbraw/zinc/17/40/55/488174055.db2.gz OMPVEJHXQSXHGH-MRVPVSSYSA-N 1 2 225.292 1.402 20 0 BDADLO CNc1nc(C)[nH+]c(C)c1Br ZINC000085459223 488174220 /nfs/dbraw/zinc/17/42/20/488174220.db2.gz PXLGWDGDNZYFGF-UHFFFAOYSA-N 1 2 216.082 1.898 20 0 BDADLO CCc1cc(NC[C@H]2CC[C@H](C)O2)nc[nH+]1 ZINC000397982304 488178234 /nfs/dbraw/zinc/17/82/34/488178234.db2.gz ILFJODLLPTUGPJ-GXSJLCMTSA-N 1 2 221.304 1.440 20 0 BDADLO c1nn2c(c1C[N@@H+]1CCO[C@@H](C3CC3)C1)CCC2 ZINC000668005913 488183126 /nfs/dbraw/zinc/18/31/26/488183126.db2.gz BITIPRBYGRLYKG-CQSZACIVSA-N 1 2 247.342 1.440 20 0 BDADLO c1nn2c(c1C[N@H+]1CCO[C@@H](C3CC3)C1)CCC2 ZINC000668005913 488183128 /nfs/dbraw/zinc/18/31/28/488183128.db2.gz BITIPRBYGRLYKG-CQSZACIVSA-N 1 2 247.342 1.440 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875445 488193312 /nfs/dbraw/zinc/19/33/12/488193312.db2.gz MUYCUINEGKPHDQ-VIFPVBQESA-N 1 2 221.304 1.383 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875445 488193314 /nfs/dbraw/zinc/19/33/14/488193314.db2.gz MUYCUINEGKPHDQ-VIFPVBQESA-N 1 2 221.304 1.383 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)C1CC1 ZINC000678096202 488197358 /nfs/dbraw/zinc/19/73/58/488197358.db2.gz WJYRXLWKRQNBKU-SECBINFHSA-N 1 2 233.315 1.980 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3cn[nH]c3)CC2)c1 ZINC000678127881 488201306 /nfs/dbraw/zinc/20/13/06/488201306.db2.gz GSQFNQSOJIPLSG-UHFFFAOYSA-N 1 2 246.314 1.321 20 0 BDADLO c1coc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000678127881 488201310 /nfs/dbraw/zinc/20/13/10/488201310.db2.gz GSQFNQSOJIPLSG-UHFFFAOYSA-N 1 2 246.314 1.321 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000678124983 488201643 /nfs/dbraw/zinc/20/16/43/488201643.db2.gz NDKWZPUKPKQNAL-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000678124983 488201646 /nfs/dbraw/zinc/20/16/46/488201646.db2.gz NDKWZPUKPKQNAL-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO Cn1cnc(C[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC000673602237 488203005 /nfs/dbraw/zinc/20/30/05/488203005.db2.gz VNUAXLOYDLPTOJ-CYBMUJFWSA-N 1 2 249.289 1.382 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H](OC)C1CCC1 ZINC000668746326 488206376 /nfs/dbraw/zinc/20/63/76/488206376.db2.gz NQGKDGKWYYXTME-ZDUSSCGKSA-N 1 2 248.326 1.820 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1NC(=O)[C@@H]2C[C@H](C)CCN12 ZINC000668121819 488206459 /nfs/dbraw/zinc/20/64/59/488206459.db2.gz PTSRTBYKCIEQNY-JFGNBEQYSA-N 1 2 248.330 1.132 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1[nH]nc2ccccc21 ZINC000683722380 488212415 /nfs/dbraw/zinc/21/24/15/488212415.db2.gz NHUKULNEFMMNHI-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC000683722380 488212417 /nfs/dbraw/zinc/21/24/17/488212417.db2.gz NHUKULNEFMMNHI-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000683722380 488212420 /nfs/dbraw/zinc/21/24/20/488212420.db2.gz NHUKULNEFMMNHI-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000683722380 488212424 /nfs/dbraw/zinc/21/24/24/488212424.db2.gz NHUKULNEFMMNHI-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(Cl)o1 ZINC000678192719 488216128 /nfs/dbraw/zinc/21/61/28/488216128.db2.gz MDEWLIQAJHYTKJ-UHFFFAOYSA-N 1 2 230.695 1.501 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)o1 ZINC000678192719 488216133 /nfs/dbraw/zinc/21/61/33/488216133.db2.gz MDEWLIQAJHYTKJ-UHFFFAOYSA-N 1 2 230.695 1.501 20 0 BDADLO CC(C)N(Cc1c[nH+]c2n1CCC2)C1COC1 ZINC000668200186 488222906 /nfs/dbraw/zinc/22/29/06/488222906.db2.gz QGNNXIAHLRZGFW-UHFFFAOYSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC=CC1 ZINC000675281578 488226573 /nfs/dbraw/zinc/22/65/73/488226573.db2.gz CCBBOFWQYHSDFU-JTQLQIEISA-N 1 2 234.303 1.289 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683838148 488230533 /nfs/dbraw/zinc/23/05/33/488230533.db2.gz AXTPKPUGCRFUOE-SNVBAGLBSA-N 1 2 221.260 1.240 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000683838148 488230536 /nfs/dbraw/zinc/23/05/36/488230536.db2.gz AXTPKPUGCRFUOE-SNVBAGLBSA-N 1 2 221.260 1.240 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678273846 488233587 /nfs/dbraw/zinc/23/35/87/488233587.db2.gz WHRONRCJCSPIAE-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678273846 488233589 /nfs/dbraw/zinc/23/35/89/488233589.db2.gz WHRONRCJCSPIAE-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO CCn1cc[nH+]c1CN1CC(C(F)F)C1 ZINC000683896039 488238644 /nfs/dbraw/zinc/23/86/44/488238644.db2.gz PJPVOWFAKGOPGG-UHFFFAOYSA-N 1 2 215.247 1.600 20 0 BDADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cscc2Cl)C1 ZINC000678299070 488238656 /nfs/dbraw/zinc/23/86/56/488238656.db2.gz YTGOVAXEIZCGDD-DTORHVGOSA-N 1 2 247.747 1.329 20 0 BDADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cscc2Cl)C1 ZINC000678299070 488238659 /nfs/dbraw/zinc/23/86/59/488238659.db2.gz YTGOVAXEIZCGDD-DTORHVGOSA-N 1 2 247.747 1.329 20 0 BDADLO CC1(O)C[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000683896086 488238735 /nfs/dbraw/zinc/23/87/35/488238735.db2.gz XXXUBQDDQDGODX-UHFFFAOYSA-N 1 2 243.253 1.855 20 0 BDADLO CCCC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147828 488240668 /nfs/dbraw/zinc/24/06/68/488240668.db2.gz XDEDIJCARJSPDS-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccco1 ZINC000672146090 488240739 /nfs/dbraw/zinc/24/07/39/488240739.db2.gz BLZHEFDFOMTXOH-SECBINFHSA-N 1 2 231.255 1.221 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000672145382 488240751 /nfs/dbraw/zinc/24/07/51/488240751.db2.gz GUOYZAOROFJJRN-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO COC[C@@H](NCc1cn(C)c[nH+]1)c1ccc(C)o1 ZINC000683899077 488241180 /nfs/dbraw/zinc/24/11/80/488241180.db2.gz COTRZCFLHJMOIP-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(C)o1 ZINC000683899077 488241182 /nfs/dbraw/zinc/24/11/82/488241182.db2.gz COTRZCFLHJMOIP-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO CC1=C(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672149337 488241701 /nfs/dbraw/zinc/24/17/01/488241701.db2.gz MDLZPMMTOQTLTI-LLVKDONJSA-N 1 2 245.326 1.815 20 0 BDADLO CC(C)(C(=O)Nc1ccncc1)c1c[nH+]c[nH]1 ZINC000683916882 488244271 /nfs/dbraw/zinc/24/42/71/488244271.db2.gz HJZLICCDXLKWNO-UHFFFAOYSA-N 1 2 230.271 1.143 20 0 BDADLO Cn1ccnc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672207637 488244745 /nfs/dbraw/zinc/24/47/45/488244745.db2.gz MNIPSNFDBOTJMP-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO Cc1nnc(N2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000672207601 488244872 /nfs/dbraw/zinc/24/48/72/488244872.db2.gz HODSNQALPCKAFH-SNVBAGLBSA-N 1 2 233.275 1.416 20 0 BDADLO F[C@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000672274254 488249063 /nfs/dbraw/zinc/24/90/63/488249063.db2.gz YSNFATCQDNNIPJ-JTQLQIEISA-N 1 2 247.277 1.601 20 0 BDADLO Cc1ccncc1[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000678416353 488253218 /nfs/dbraw/zinc/25/32/18/488253218.db2.gz MIVOXDFLHPZTPC-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO C[C@@H](NCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000672616543 488262034 /nfs/dbraw/zinc/26/20/34/488262034.db2.gz TYMAVDDSIDNWRQ-SECBINFHSA-N 1 2 249.314 1.746 20 0 BDADLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000672777838 488266136 /nfs/dbraw/zinc/26/61/36/488266136.db2.gz DBYSGHXYEJTMMN-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)C[N@H+](Cc2nnc(C3CC3)o2)C[C@@H]1O ZINC000684108076 488267399 /nfs/dbraw/zinc/26/73/99/488267399.db2.gz LFVIUUNTFCFPCM-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO CC1(C)C[N@@H+](Cc2nnc(C3CC3)o2)C[C@@H]1O ZINC000684108076 488267401 /nfs/dbraw/zinc/26/74/01/488267401.db2.gz LFVIUUNTFCFPCM-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000673142409 488277113 /nfs/dbraw/zinc/27/71/13/488277113.db2.gz XWKVJAFMUKVFOQ-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1nc(C2CC2)c[nH]1 ZINC000673267879 488280772 /nfs/dbraw/zinc/28/07/72/488280772.db2.gz YUUDAFSGWHTPDG-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO Cn1cc(CCCNc2cc[nH+]cc2F)cn1 ZINC000678787284 488282796 /nfs/dbraw/zinc/28/27/96/488282796.db2.gz HFOYXMQVJKNRHO-UHFFFAOYSA-N 1 2 234.278 1.421 20 0 BDADLO CC(=O)NC1CCN(c2cc[nH+]cc2F)CC1 ZINC000678787606 488283463 /nfs/dbraw/zinc/28/34/63/488283463.db2.gz UJZWFFJNJPSUFP-UHFFFAOYSA-N 1 2 237.278 1.326 20 0 BDADLO O=C(NCCNc1cc[nH+]cc1F)c1ccco1 ZINC000678789434 488283776 /nfs/dbraw/zinc/28/37/76/488283776.db2.gz ZQCREJMJHIIVGT-UHFFFAOYSA-N 1 2 249.245 1.078 20 0 BDADLO CCc1noc(C[NH+]2CCC(C)(OC)CC2)n1 ZINC000678797481 488284607 /nfs/dbraw/zinc/28/46/07/488284607.db2.gz FFSLGUWVBYILBG-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCC(F)F ZINC000684362780 488301401 /nfs/dbraw/zinc/30/14/01/488301401.db2.gz JKYKYFVKPGOCFX-UHFFFAOYSA-N 1 2 231.246 1.424 20 0 BDADLO CN(CCO)c1ccc(NCC2(F)CC2)[nH+]c1 ZINC000684385806 488303701 /nfs/dbraw/zinc/30/37/01/488303701.db2.gz MOYCFWUCGGIWBI-UHFFFAOYSA-N 1 2 239.294 1.424 20 0 BDADLO CC(C)[C@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000679070149 488305884 /nfs/dbraw/zinc/30/58/84/488305884.db2.gz RVPDEBZJLJCRHI-NSHDSACASA-N 1 2 237.347 1.967 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC=CCC2)n1 ZINC000679323590 488336933 /nfs/dbraw/zinc/33/69/33/488336933.db2.gz DUFSFYPDFOBSCD-UHFFFAOYSA-N 1 2 207.277 1.955 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679323590 488336934 /nfs/dbraw/zinc/33/69/34/488336934.db2.gz DUFSFYPDFOBSCD-UHFFFAOYSA-N 1 2 207.277 1.955 20 0 BDADLO Cn1cc(C[C@@H]2CC[N@H+](CC(F)F)C2)cn1 ZINC000673755711 488307512 /nfs/dbraw/zinc/30/75/12/488307512.db2.gz HWVSTZMNKLJPCU-VIFPVBQESA-N 1 2 229.274 1.550 20 0 BDADLO Cn1cc(C[C@@H]2CC[N@@H+](CC(F)F)C2)cn1 ZINC000673755711 488307514 /nfs/dbraw/zinc/30/75/14/488307514.db2.gz HWVSTZMNKLJPCU-VIFPVBQESA-N 1 2 229.274 1.550 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(C)o1 ZINC000673812014 488307750 /nfs/dbraw/zinc/30/77/50/488307750.db2.gz UADQWAPMBFYPJS-LLVKDONJSA-N 1 2 235.287 1.788 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679219472 488317731 /nfs/dbraw/zinc/31/77/31/488317731.db2.gz CTMYEXAXKQUKAF-WDEREUQCSA-N 1 2 230.327 1.583 20 0 BDADLO CCCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679219472 488317733 /nfs/dbraw/zinc/31/77/33/488317733.db2.gz CTMYEXAXKQUKAF-WDEREUQCSA-N 1 2 230.327 1.583 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000679219265 488318777 /nfs/dbraw/zinc/31/87/77/488318777.db2.gz FUMGIFOIBOPANE-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000679219265 488318779 /nfs/dbraw/zinc/31/87/79/488318779.db2.gz FUMGIFOIBOPANE-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)nn1C ZINC000679226859 488322388 /nfs/dbraw/zinc/32/23/88/488322388.db2.gz VVLRLNWQOFMTGP-SKDRFNHKSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)nn1C ZINC000679226859 488322390 /nfs/dbraw/zinc/32/23/90/488322390.db2.gz VVLRLNWQOFMTGP-SKDRFNHKSA-N 1 2 225.311 1.908 20 0 BDADLO CO[C@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)CCO1 ZINC000684588804 488329256 /nfs/dbraw/zinc/32/92/56/488329256.db2.gz OGSCFHAPTWIYET-SNVBAGLBSA-N 1 2 248.286 1.075 20 0 BDADLO COC[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000684600533 488330970 /nfs/dbraw/zinc/33/09/70/488330970.db2.gz QYEKDYABYHMEJC-VIFPVBQESA-N 1 2 239.319 1.193 20 0 BDADLO CC(C)(C)OCCC[N@H+](CCO)CC(F)F ZINC000684621219 488334205 /nfs/dbraw/zinc/33/42/05/488334205.db2.gz MPOXYQNMIACLOT-UHFFFAOYSA-N 1 2 239.306 1.751 20 0 BDADLO CC(C)(C)OCCC[N@@H+](CCO)CC(F)F ZINC000684621219 488334208 /nfs/dbraw/zinc/33/42/08/488334208.db2.gz MPOXYQNMIACLOT-UHFFFAOYSA-N 1 2 239.306 1.751 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC=CCC2)no1 ZINC000679323239 488337366 /nfs/dbraw/zinc/33/73/66/488337366.db2.gz LJIWPAWMUYCQTE-UHFFFAOYSA-N 1 2 221.260 1.183 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC=CCC2)no1 ZINC000679323239 488337367 /nfs/dbraw/zinc/33/73/67/488337367.db2.gz LJIWPAWMUYCQTE-UHFFFAOYSA-N 1 2 221.260 1.183 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCNc1cnccn1 ZINC000679348624 488342844 /nfs/dbraw/zinc/34/28/44/488342844.db2.gz FRHWYWWWVJBOGH-SECBINFHSA-N 1 2 246.318 1.271 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000679353259 488343393 /nfs/dbraw/zinc/34/33/93/488343393.db2.gz XMIWZHZAYWLSOY-ZJUUUORDSA-N 1 2 233.319 1.654 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000679353253 488343563 /nfs/dbraw/zinc/34/35/63/488343563.db2.gz XMIWZHZAYWLSOY-UWVGGRQHSA-N 1 2 233.319 1.654 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684854767 488349358 /nfs/dbraw/zinc/34/93/58/488349358.db2.gz ZABUUWGVRNLPGC-MNOVXSKESA-N 1 2 245.282 1.698 20 0 BDADLO CC(C)(C)c1nc(NCCn2ccnn2)cc[nH+]1 ZINC000679849098 488368703 /nfs/dbraw/zinc/36/87/03/488368703.db2.gz UEGJHMBZGURDAB-UHFFFAOYSA-N 1 2 246.318 1.478 20 0 BDADLO Cc1nc(NCCOC[C@@H]2CCCO2)cc[nH+]1 ZINC000524687691 490102078 /nfs/dbraw/zinc/10/20/78/490102078.db2.gz DCTVVDDKJIIYES-NSHDSACASA-N 1 2 237.303 1.393 20 0 BDADLO C/C=C/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000491851043 490120693 /nfs/dbraw/zinc/12/06/93/490120693.db2.gz VMPZVPRFNSUPGJ-IAROGAJJSA-N 1 2 217.272 1.399 20 0 BDADLO CC[C@@H](NCC[N@H+]1CC=CCC1)c1nccn1C ZINC000359058524 490126616 /nfs/dbraw/zinc/12/66/16/490126616.db2.gz UIVZGVNKGYTRBG-CYBMUJFWSA-N 1 2 248.374 1.723 20 0 BDADLO CC[C@@H](NCC[N@@H+]1CC=CCC1)c1nccn1C ZINC000359058524 490126619 /nfs/dbraw/zinc/12/66/19/490126619.db2.gz UIVZGVNKGYTRBG-CYBMUJFWSA-N 1 2 248.374 1.723 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1nccs1 ZINC000661972143 490243493 /nfs/dbraw/zinc/24/34/93/490243493.db2.gz IWYDSMRFSRXYND-RKDXNWHRSA-N 1 2 237.328 1.423 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1nccs1 ZINC000661972143 490243501 /nfs/dbraw/zinc/24/35/01/490243501.db2.gz IWYDSMRFSRXYND-RKDXNWHRSA-N 1 2 237.328 1.423 20 0 BDADLO Cc1nc(N(CCCO)C2CC2)cc[nH+]1 ZINC000404219671 490252563 /nfs/dbraw/zinc/25/25/63/490252563.db2.gz JMWKLKLCSMIHLY-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO c1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)[nH]n1 ZINC000655812040 490258996 /nfs/dbraw/zinc/25/89/96/490258996.db2.gz NEAAUYZYRMODHC-CHWSQXEVSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1CCCCN1C(=O)COCc1[nH]cc[nH+]1 ZINC000123886664 490268382 /nfs/dbraw/zinc/26/83/82/490268382.db2.gz NCYWMGIWACJJOM-JTQLQIEISA-N 1 2 237.303 1.327 20 0 BDADLO Cc1ncsc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657570781 490285905 /nfs/dbraw/zinc/28/59/05/490285905.db2.gz TWXNNHSADCAMPO-VXNVDRBHSA-N 1 2 249.343 1.839 20 0 BDADLO CC(C)c1cnc(C[NH2+][C@H](C)C(N)=O)s1 ZINC000130282438 490369779 /nfs/dbraw/zinc/36/97/79/490369779.db2.gz BYQRKAJRRTZCMX-SSDOTTSWSA-N 1 2 227.333 1.230 20 0 BDADLO COC[C@@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125369550 490429263 /nfs/dbraw/zinc/42/92/63/490429263.db2.gz GTYNXEYXBCIIQP-DTWKUNHWSA-N 1 2 225.292 1.260 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCC12COC2 ZINC001172759942 974934245 /nfs/dbraw/zinc/93/42/45/974934245.db2.gz TZTJLEFKHDVNND-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C[C@H](O)C2CC2)no1 ZINC000079767884 490460677 /nfs/dbraw/zinc/46/06/77/490460677.db2.gz FBJDIENZLDRHSJ-JTQLQIEISA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C[C@H](O)C2CC2)no1 ZINC000079767884 490460684 /nfs/dbraw/zinc/46/06/84/490460684.db2.gz FBJDIENZLDRHSJ-JTQLQIEISA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCC12COC2 ZINC001172759942 974934257 /nfs/dbraw/zinc/93/42/57/974934257.db2.gz TZTJLEFKHDVNND-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO Cc1nc(C(=O)N2CC[NH+](C)CC2)sc1C ZINC000074720914 490500168 /nfs/dbraw/zinc/50/01/68/490500168.db2.gz KEUYPQXQLMBSPS-UHFFFAOYSA-N 1 2 239.344 1.148 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(F)cc1 ZINC000074726855 490501102 /nfs/dbraw/zinc/50/11/02/490501102.db2.gz GLCYNHKPIGYMOQ-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(F)cc1 ZINC000074726855 490501106 /nfs/dbraw/zinc/50/11/06/490501106.db2.gz GLCYNHKPIGYMOQ-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1CCCC1 ZINC000074726775 490502537 /nfs/dbraw/zinc/50/25/37/490502537.db2.gz UYXIEZUQVKHUTN-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1CCCC1 ZINC000074726775 490502542 /nfs/dbraw/zinc/50/25/42/490502542.db2.gz UYXIEZUQVKHUTN-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CCc1cc(N[C@@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000300839253 490570539 /nfs/dbraw/zinc/57/05/39/490570539.db2.gz JGSRYHCYZALMNQ-GXSJLCMTSA-N 1 2 221.304 1.876 20 0 BDADLO CCn1nccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000131216771 490628613 /nfs/dbraw/zinc/62/86/13/490628613.db2.gz QQGLWQJASMZSNT-UHFFFAOYSA-N 1 2 230.271 1.859 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000074034093 491093503 /nfs/dbraw/zinc/09/35/03/491093503.db2.gz PWCBRMDUACYIDY-NEPJUHHUSA-N 1 2 233.315 1.674 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C(F)F ZINC000228488712 491095474 /nfs/dbraw/zinc/09/54/74/491095474.db2.gz COSDNGRVWZRIND-ZETCQYMHSA-N 1 2 228.242 1.529 20 0 BDADLO O=C1C[C@H]([C@H]2CCC[N@@H+](CC(F)F)C2)CN1 ZINC000671448509 491105673 /nfs/dbraw/zinc/10/56/73/491105673.db2.gz ADMIVSLDLHRVBF-IUCAKERBSA-N 1 2 232.274 1.100 20 0 BDADLO O=C1C[C@H]([C@H]2CCC[N@H+](CC(F)F)C2)CN1 ZINC000671448509 491105674 /nfs/dbraw/zinc/10/56/74/491105674.db2.gz ADMIVSLDLHRVBF-IUCAKERBSA-N 1 2 232.274 1.100 20 0 BDADLO CCc1noc(C[N@H+](C(C)C)[C@@H]2CCOC2)n1 ZINC000643388236 491120935 /nfs/dbraw/zinc/12/09/35/491120935.db2.gz ZJRHCYBSIFBTDO-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@@H+](C(C)C)[C@@H]2CCOC2)n1 ZINC000643388236 491120936 /nfs/dbraw/zinc/12/09/36/491120936.db2.gz ZJRHCYBSIFBTDO-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCc1c[nH+]cn1C ZINC000334631482 491124100 /nfs/dbraw/zinc/12/41/00/491124100.db2.gz NDVDKENNZNOQSX-GXFFZTMASA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H]1O ZINC000663764856 491131974 /nfs/dbraw/zinc/13/19/74/491131974.db2.gz PYNMGYMHTJHWKI-RNCFNFMXSA-N 1 2 243.310 1.634 20 0 BDADLO O[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC000661411792 491162174 /nfs/dbraw/zinc/16/21/74/491162174.db2.gz AREMCROVBGRYTO-VLEAKVRGSA-N 1 2 231.286 1.734 20 0 BDADLO O[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC000661411792 491162175 /nfs/dbraw/zinc/16/21/75/491162175.db2.gz AREMCROVBGRYTO-VLEAKVRGSA-N 1 2 231.286 1.734 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCc3ccc(F)cc32)n1 ZINC000134180021 491162308 /nfs/dbraw/zinc/16/23/08/491162308.db2.gz PTZRNJFWNZQMAC-LBPRGKRZSA-N 1 2 246.289 1.731 20 0 BDADLO CC(C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000134312321 491163014 /nfs/dbraw/zinc/16/30/14/491163014.db2.gz DNSVRUSFRANIPN-UHFFFAOYSA-N 1 2 209.293 1.330 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262982909 535491315 /nfs/dbraw/zinc/49/13/15/535491315.db2.gz MVMFXRYUKNVQMH-IWSPIJDZSA-N 1 2 232.274 1.288 20 0 BDADLO C[C@H](CC(C)(C)O)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493817122 533725367 /nfs/dbraw/zinc/72/53/67/533725367.db2.gz HRLFBSRZHQWHOQ-XNPJLODASA-N 1 2 237.303 1.089 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895835 533739200 /nfs/dbraw/zinc/73/92/00/533739200.db2.gz IUXKVUWCCXOAEX-TYWZFMJISA-N 1 2 247.220 1.880 20 0 BDADLO C[C@@H](CC(=O)NC/C=C\Cl)n1cc[nH+]c1 ZINC000891200448 582626864 /nfs/dbraw/zinc/62/68/64/582626864.db2.gz HPZZNGVDMIOUIA-XADBCAIWSA-N 1 2 227.695 1.703 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)CCc1ccco1 ZINC000846091432 582644824 /nfs/dbraw/zinc/64/48/24/582644824.db2.gz MHZDFPRWQMIJPX-SNVBAGLBSA-N 1 2 240.303 1.258 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1cn[nH]c1 ZINC000494667005 533951791 /nfs/dbraw/zinc/95/17/91/533951791.db2.gz ILGWYNSBKVLOCY-QMMMGPOBSA-N 1 2 249.322 1.002 20 0 BDADLO C[C@@H]1CC[N@H+](CCCCO)CC1(F)F ZINC000494231504 534031202 /nfs/dbraw/zinc/03/12/02/534031202.db2.gz SFFFVNWIOHHARS-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO C[C@@H]1CC[N@@H+](CCCCO)CC1(F)F ZINC000494231504 534031211 /nfs/dbraw/zinc/03/12/11/534031211.db2.gz SFFFVNWIOHHARS-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000487894265 534045244 /nfs/dbraw/zinc/04/52/44/534045244.db2.gz GXFFRAOGSXNMCQ-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000487894265 534045251 /nfs/dbraw/zinc/04/52/51/534045251.db2.gz GXFFRAOGSXNMCQ-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000488125065 534279404 /nfs/dbraw/zinc/27/94/04/534279404.db2.gz DKTQEDOXWHJGNY-MNOVXSKESA-N 1 2 241.331 1.485 20 0 BDADLO Cc1ocnc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492761533 534587959 /nfs/dbraw/zinc/58/79/59/534587959.db2.gz GOGNFXYJAACTGQ-NSCUHMNNSA-N 1 2 232.243 1.036 20 0 BDADLO C[N@H+](Cc1ccsc1)[C@H]1CCOC1=O ZINC000122470488 582844395 /nfs/dbraw/zinc/84/43/95/582844395.db2.gz FAEKYCZNBAJBIG-VIFPVBQESA-N 1 2 211.286 1.495 20 0 BDADLO C[N@@H+](Cc1ccsc1)[C@H]1CCOC1=O ZINC000122470488 582844399 /nfs/dbraw/zinc/84/43/99/582844399.db2.gz FAEKYCZNBAJBIG-VIFPVBQESA-N 1 2 211.286 1.495 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\C1CCOCC1 ZINC000492938641 534787857 /nfs/dbraw/zinc/78/78/57/534787857.db2.gz ARNBNVSBKBUZED-IHWYPQMZSA-N 1 2 249.314 1.019 20 0 BDADLO O=C1N[C@@H](CSc2[nH+]cc3ccccn32)CO1 ZINC000496596466 534792517 /nfs/dbraw/zinc/79/25/17/534792517.db2.gz QBDDOOZZWGCSJK-MRVPVSSYSA-N 1 2 249.295 1.535 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC[C@H]1CCO ZINC000492896318 534800965 /nfs/dbraw/zinc/80/09/65/534800965.db2.gz IXHLIMOHGKYONS-RXNFCKPNSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(F)(F)C1 ZINC000492815808 534801340 /nfs/dbraw/zinc/80/13/40/534801340.db2.gz YHUJISFGVAFCNQ-UPHRSURJSA-N 1 2 227.214 1.291 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCSC1 ZINC000492767192 534802889 /nfs/dbraw/zinc/80/28/89/534802889.db2.gz NRFMAFRTWRJVEE-UMBAGQNISA-N 1 2 237.328 1.435 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCSC1 ZINC000492767193 534804922 /nfs/dbraw/zinc/80/49/22/534804922.db2.gz NRFMAFRTWRJVEE-XOULXFPDSA-N 1 2 237.328 1.435 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000494085473 534813822 /nfs/dbraw/zinc/81/38/22/534813822.db2.gz JOPUGMZXYKYHGM-ARLXTTGXSA-N 1 2 230.695 1.265 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000494085473 534813827 /nfs/dbraw/zinc/81/38/27/534813827.db2.gz JOPUGMZXYKYHGM-ARLXTTGXSA-N 1 2 230.695 1.265 20 0 BDADLO CC(C)(NC(=O)/C=C\C1CC1)c1[nH]cc[nH+]1 ZINC000493569817 527263131 /nfs/dbraw/zinc/26/31/31/527263131.db2.gz VZABNYLSTPSESQ-WAYWQWQTSA-N 1 2 219.288 1.727 20 0 BDADLO C/C=C/C=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000493217881 527598275 /nfs/dbraw/zinc/59/82/75/527598275.db2.gz KDYWAAOEMNABOY-IAROGAJJSA-N 1 2 217.272 1.358 20 0 BDADLO C/C=C/C=C\C(=O)NCc1ccc[nH+]c1N(C)C ZINC000492917573 527606247 /nfs/dbraw/zinc/60/62/47/527606247.db2.gz CUCUULXZAVDAJB-WEHQGULRSA-N 1 2 245.326 1.896 20 0 BDADLO CC(C)CCC[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000496258387 527703579 /nfs/dbraw/zinc/70/35/79/527703579.db2.gz ZLYQWTZPMVWGFF-UHFFFAOYSA-N 1 2 226.320 1.559 20 0 BDADLO CCC[N@H+](C/C=C/c1ccncc1)CC(=O)OC ZINC000494427998 527869002 /nfs/dbraw/zinc/86/90/02/527869002.db2.gz HFGQLIFZPRCMRL-SNAWJCMRSA-N 1 2 248.326 1.980 20 0 BDADLO CCC[N@@H+](C/C=C/c1ccncc1)CC(=O)OC ZINC000494427998 527869005 /nfs/dbraw/zinc/86/90/05/527869005.db2.gz HFGQLIFZPRCMRL-SNAWJCMRSA-N 1 2 248.326 1.980 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1c(C)n[nH]c1C ZINC000471809406 527906185 /nfs/dbraw/zinc/90/61/85/527906185.db2.gz KYSSKYOYBMBTMR-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1c(C)n[nH]c1C ZINC000471809406 527906191 /nfs/dbraw/zinc/90/61/91/527906191.db2.gz KYSSKYOYBMBTMR-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO CCOC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493186839 528404007 /nfs/dbraw/zinc/40/40/07/528404007.db2.gz JPPOKUZBJWCBOR-AATRIKPKSA-N 1 2 237.303 1.354 20 0 BDADLO CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000505761066 528417267 /nfs/dbraw/zinc/41/72/67/528417267.db2.gz BSWBBEVXINUIRR-SNVBAGLBSA-N 1 2 236.319 1.580 20 0 BDADLO CCO/C=C/C(=O)NCCCNc1cccc[nH+]1 ZINC000493563369 528477842 /nfs/dbraw/zinc/47/78/42/528477842.db2.gz VXVZVAIMESCHBR-YRNVUSSQSA-N 1 2 249.314 1.550 20 0 BDADLO CCN(C[C@H](C)O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000479075196 528719510 /nfs/dbraw/zinc/71/95/10/528719510.db2.gz BCEFKIUMERTQNE-JTQLQIEISA-N 1 2 237.303 1.047 20 0 BDADLO CCCc1nc(C[NH2+][C@]2(C)CCO[C@@H]2C)no1 ZINC000494247670 528752284 /nfs/dbraw/zinc/75/22/84/528752284.db2.gz LTFWJFFPVMLNHU-BXKDBHETSA-N 1 2 239.319 1.679 20 0 BDADLO CC(C)N(C(=O)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000505225457 528784714 /nfs/dbraw/zinc/78/47/14/528784714.db2.gz RRHXLIXVSZNAJD-NSHDSACASA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493068201 528791739 /nfs/dbraw/zinc/79/17/39/528791739.db2.gz YAKNTWWCNPXZQG-BCEXGZMNSA-N 1 2 233.315 1.831 20 0 BDADLO CC/C=C\CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493208447 528792615 /nfs/dbraw/zinc/79/26/15/528792615.db2.gz PWSRSUZRGXRIEB-ISTTXYCBSA-N 1 2 233.315 1.999 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494241838 528998504 /nfs/dbraw/zinc/99/85/04/528998504.db2.gz OLTAQMFEHCRSNK-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494241838 528998508 /nfs/dbraw/zinc/99/85/08/528998508.db2.gz OLTAQMFEHCRSNK-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO CC1(C)CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000492859552 529020149 /nfs/dbraw/zinc/02/01/49/529020149.db2.gz GLPKHJSOCINYRC-UFFNRZRYSA-N 1 2 249.314 1.497 20 0 BDADLO CC1(C)CC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)O1 ZINC000493256765 529020580 /nfs/dbraw/zinc/02/05/80/529020580.db2.gz ONIWERJSMSHWCN-FSIBCCDJSA-N 1 2 249.314 1.497 20 0 BDADLO CCC1(CC)CN(C[N@H+](C)CCOC)C(=O)O1 ZINC000494742180 529081837 /nfs/dbraw/zinc/08/18/37/529081837.db2.gz KNAUFHIILQDILY-UHFFFAOYSA-N 1 2 244.335 1.533 20 0 BDADLO CCC1(CC)CN(C[N@@H+](C)CCOC)C(=O)O1 ZINC000494742180 529081841 /nfs/dbraw/zinc/08/18/41/529081841.db2.gz KNAUFHIILQDILY-UHFFFAOYSA-N 1 2 244.335 1.533 20 0 BDADLO CCOC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000493968445 529104772 /nfs/dbraw/zinc/10/47/72/529104772.db2.gz JPGZTCAELWTFDK-VIFPVBQESA-N 1 2 218.272 1.166 20 0 BDADLO CCOC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000493968445 529104777 /nfs/dbraw/zinc/10/47/77/529104777.db2.gz JPGZTCAELWTFDK-VIFPVBQESA-N 1 2 218.272 1.166 20 0 BDADLO CC[C@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493071978 529218481 /nfs/dbraw/zinc/21/84/81/529218481.db2.gz PQVWXYOUHMQUAO-PORFMDCZSA-N 1 2 219.288 1.824 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492892617 529311386 /nfs/dbraw/zinc/31/13/86/529311386.db2.gz FKLWKUVOFWTWQU-WWQCOOJYSA-N 1 2 221.304 1.927 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336166383 534930899 /nfs/dbraw/zinc/93/08/99/534930899.db2.gz BKJVNALXTPURSX-VHSXEESVSA-N 1 2 233.315 1.360 20 0 BDADLO CCC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263025974 535325883 /nfs/dbraw/zinc/32/58/83/535325883.db2.gz RKQRDYQEMWQXON-SNVBAGLBSA-N 1 2 246.301 1.632 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)s1)C[C@@H](C)O ZINC000352221867 535392486 /nfs/dbraw/zinc/39/24/86/535392486.db2.gz OMKJIYDEWKPACH-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)s1)C[C@@H](C)O ZINC000352221867 535392491 /nfs/dbraw/zinc/39/24/91/535392491.db2.gz OMKJIYDEWKPACH-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@@H+](Cc1ncnn1CC(C)C)C[C@@H](C)O ZINC000352195990 535394889 /nfs/dbraw/zinc/39/48/89/535394889.db2.gz VTEKSRAAHPWXCM-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CC[N@H+](Cc1ncnn1CC(C)C)C[C@@H](C)O ZINC000352195990 535394891 /nfs/dbraw/zinc/39/48/91/535394891.db2.gz VTEKSRAAHPWXCM-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000077901553 535459641 /nfs/dbraw/zinc/45/96/41/535459641.db2.gz RVOMXOGIPSPLHI-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000077901553 535459645 /nfs/dbraw/zinc/45/96/45/535459645.db2.gz RVOMXOGIPSPLHI-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(F)(F)F ZINC000348057735 535801688 /nfs/dbraw/zinc/80/16/88/535801688.db2.gz PEKDCJSCHYEOAM-SSDOTTSWSA-N 1 2 235.209 1.789 20 0 BDADLO CC[C@@H](NC(=O)c1nccc(C)n1)c1[nH]cc[nH+]1 ZINC000350925803 535802436 /nfs/dbraw/zinc/80/24/36/535802436.db2.gz HUABMMLMERSVBB-SECBINFHSA-N 1 2 245.286 1.389 20 0 BDADLO CC[C@@H]([NH2+]CCOCCC(C)C)C(=O)OC ZINC000168338778 535804027 /nfs/dbraw/zinc/80/40/27/535804027.db2.gz FSUZFEJVPRXJDV-LLVKDONJSA-N 1 2 231.336 1.590 20 0 BDADLO CCc1c(C(=O)Nc2cc[nH+]cc2O)ccn1C ZINC000334382169 536049799 /nfs/dbraw/zinc/04/97/99/536049799.db2.gz KDRXWIGAZVGTRV-UHFFFAOYSA-N 1 2 245.282 1.362 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914465 536158510 /nfs/dbraw/zinc/15/85/10/536158510.db2.gz XFNSJJHXUJJSDN-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914465 536158515 /nfs/dbraw/zinc/15/85/15/536158515.db2.gz XFNSJJHXUJJSDN-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)C[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000260143125 536338807 /nfs/dbraw/zinc/33/88/07/536338807.db2.gz DSOLZCLQCRBQMQ-VIFPVBQESA-N 1 2 237.303 1.964 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347848854 536690132 /nfs/dbraw/zinc/69/01/32/536690132.db2.gz BQNNEFTZJWCUHD-LLVKDONJSA-N 1 2 224.308 1.080 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347848854 536690137 /nfs/dbraw/zinc/69/01/37/536690137.db2.gz BQNNEFTZJWCUHD-LLVKDONJSA-N 1 2 224.308 1.080 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000260308013 536765598 /nfs/dbraw/zinc/76/55/98/536765598.db2.gz ZLUXSBNYORROAJ-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000260308013 536765601 /nfs/dbraw/zinc/76/56/01/536765601.db2.gz ZLUXSBNYORROAJ-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO Cc1cc(F)ccc1C(=O)NCc1c[nH+]cn1C ZINC000335869778 538101551 /nfs/dbraw/zinc/10/15/51/538101551.db2.gz VZGGLFCCLMBFQU-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000666402118 566332702 /nfs/dbraw/zinc/33/27/02/566332702.db2.gz IJKUTSJWFLDLTN-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000666402118 566332710 /nfs/dbraw/zinc/33/27/10/566332710.db2.gz IJKUTSJWFLDLTN-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO Cn1cccc1C(=O)COCc1[nH]cc[nH+]1 ZINC000180032425 566340345 /nfs/dbraw/zinc/34/03/45/566340345.db2.gz VDUAIFBGRGKPKC-UHFFFAOYSA-N 1 2 219.244 1.148 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000331523359 566369699 /nfs/dbraw/zinc/36/96/99/566369699.db2.gz RGCMHBMTKZEXGA-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000331523359 566369702 /nfs/dbraw/zinc/36/97/02/566369702.db2.gz RGCMHBMTKZEXGA-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290983956 566386446 /nfs/dbraw/zinc/38/64/46/566386446.db2.gz VZVQGPWFFUFJFX-SECBINFHSA-N 1 2 207.277 1.271 20 0 BDADLO Cc1cc(N2CCCCC[C@H]2CCO)nc[nH+]1 ZINC000343074916 566436094 /nfs/dbraw/zinc/43/60/94/566436094.db2.gz GXJWSIJMDWYJOJ-LBPRGKRZSA-N 1 2 235.331 1.916 20 0 BDADLO CN(C)c1cc(N2CCC(C)(C)C2)nc[nH+]1 ZINC000892721344 582968547 /nfs/dbraw/zinc/96/85/47/582968547.db2.gz KZUHSABRKSLJRQ-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO CN(C)c1cc(N2CCC(C)(C)C2)[nH+]cn1 ZINC000892721344 582968550 /nfs/dbraw/zinc/96/85/50/582968550.db2.gz KZUHSABRKSLJRQ-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO CCn1cncc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000893555317 583163671 /nfs/dbraw/zinc/16/36/71/583163671.db2.gz HDBQNVVZOFCHSJ-MGPLVRAMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1cncc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000893555317 583163672 /nfs/dbraw/zinc/16/36/72/583163672.db2.gz HDBQNVVZOFCHSJ-MGPLVRAMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@@H](C)C[S@@](C)=O ZINC000893555317 583163674 /nfs/dbraw/zinc/16/36/74/583163674.db2.gz HDBQNVVZOFCHSJ-MGPLVRAMSA-N 1 2 243.376 1.102 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ocnc2C)[C@@H](C)C1 ZINC000894034596 583278451 /nfs/dbraw/zinc/27/84/51/583278451.db2.gz SECLAOLIMPDJDY-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ocnc2C)[C@@H](C)C1 ZINC000894034596 583278455 /nfs/dbraw/zinc/27/84/55/583278455.db2.gz SECLAOLIMPDJDY-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000894043155 583286132 /nfs/dbraw/zinc/28/61/32/583286132.db2.gz PGVUKZOTPBBCRG-ZDUSSCGKSA-N 1 2 237.347 1.880 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000894043155 583286135 /nfs/dbraw/zinc/28/61/35/583286135.db2.gz PGVUKZOTPBBCRG-ZDUSSCGKSA-N 1 2 237.347 1.880 20 0 BDADLO CC[C@@H](C)NC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853044360 588717503 /nfs/dbraw/zinc/71/75/03/588717503.db2.gz IDHBGCJFTRNNQM-BDAKNGLRSA-N 1 2 240.376 1.744 20 0 BDADLO CC[C@@]1(C)CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501683 588746185 /nfs/dbraw/zinc/74/61/85/588746185.db2.gz KUVDXIRVLCUARE-NSHDSACASA-N 1 2 225.292 1.224 20 0 BDADLO CC[C@@]1(C)CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501683 588746186 /nfs/dbraw/zinc/74/61/86/588746186.db2.gz KUVDXIRVLCUARE-NSHDSACASA-N 1 2 225.292 1.224 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cc(F)ncn1 ZINC000853457755 588744192 /nfs/dbraw/zinc/74/41/92/588744192.db2.gz LKJBDGUZTORECS-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Cc1nn(C[N@H+](C2CC2)C2CCCC2)c(=O)o1 ZINC000853489265 588745687 /nfs/dbraw/zinc/74/56/87/588745687.db2.gz LWQBMIOAGMGXJI-UHFFFAOYSA-N 1 2 237.303 1.509 20 0 BDADLO Cc1nn(C[N@@H+](C2CC2)C2CCCC2)c(=O)o1 ZINC000853489265 588745688 /nfs/dbraw/zinc/74/56/88/588745688.db2.gz LWQBMIOAGMGXJI-UHFFFAOYSA-N 1 2 237.303 1.509 20 0 BDADLO CC[C@H](Nc1cnc(F)cn1)c1[nH]cc[nH+]1 ZINC000853507541 588746538 /nfs/dbraw/zinc/74/65/38/588746538.db2.gz SMENYEFWQBVGQC-ZETCQYMHSA-N 1 2 221.239 1.902 20 0 BDADLO Cc1nn(C[N@H+]2C[C@H](C)CC(C)(C)C2)c(=O)o1 ZINC000853506078 588746835 /nfs/dbraw/zinc/74/68/35/588746835.db2.gz GIRCDPXNVRPZGL-SECBINFHSA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c(=O)o1 ZINC000853506078 588746836 /nfs/dbraw/zinc/74/68/36/588746836.db2.gz GIRCDPXNVRPZGL-SECBINFHSA-N 1 2 239.319 1.470 20 0 BDADLO COCc1cc(N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000853643463 588751897 /nfs/dbraw/zinc/75/18/97/588751897.db2.gz HLNDIBHJEINWIS-MRVPVSSYSA-N 1 2 233.275 1.519 20 0 BDADLO CC(C)OCC(N)=[NH+]O[C@@H](C)C(C)C ZINC000853658608 588753108 /nfs/dbraw/zinc/75/31/08/588753108.db2.gz NNCZCPJZEQKVCQ-VIFPVBQESA-N 1 2 202.298 1.954 20 0 BDADLO NC(CCO)=[NH+]OCc1csc(Cl)n1 ZINC000853686727 588756058 /nfs/dbraw/zinc/75/60/58/588756058.db2.gz DQRGQMOHNHVHCM-UHFFFAOYSA-N 1 2 235.696 1.177 20 0 BDADLO CC(C)[C@@H](C)O[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000853727780 588759654 /nfs/dbraw/zinc/75/96/54/588759654.db2.gz HVVREJKSGHNBDD-MNOVXSKESA-N 1 2 244.335 1.725 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(-c2cocn2)no1 ZINC000854153458 588777040 /nfs/dbraw/zinc/77/70/40/588777040.db2.gz NKQYNKVQYSLMKZ-ZETCQYMHSA-N 1 2 238.247 1.149 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000854179227 588778255 /nfs/dbraw/zinc/77/82/55/588778255.db2.gz USWUJGBPXJLRNK-GMTAPVOTSA-N 1 2 235.331 1.893 20 0 BDADLO CCCN(CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000854189106 588778776 /nfs/dbraw/zinc/77/87/76/588778776.db2.gz CKPKZYLXXMFWJM-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000854294085 588782894 /nfs/dbraw/zinc/78/28/94/588782894.db2.gz XKRNLOFMVMODIJ-DJLDLDEBSA-N 1 2 224.329 1.642 20 0 BDADLO CSC(C)(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000854527853 588790439 /nfs/dbraw/zinc/79/04/39/588790439.db2.gz UONNVXGZZBWPTI-UHFFFAOYSA-N 1 2 239.344 1.367 20 0 BDADLO CCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345136 588794866 /nfs/dbraw/zinc/79/48/66/588794866.db2.gz AWWWQOAUFNCZBB-JTQLQIEISA-N 1 2 223.320 1.824 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000854595460 588796402 /nfs/dbraw/zinc/79/64/02/588796402.db2.gz ZROPJAYGAFLSKL-RKDXNWHRSA-N 1 2 221.260 1.280 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(C2CC2)n1 ZINC000854646737 588799169 /nfs/dbraw/zinc/79/91/69/588799169.db2.gz MSOMUWZBSNBLTC-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C1CC2(CC2)C1 ZINC000854685218 588801102 /nfs/dbraw/zinc/80/11/02/588801102.db2.gz JKIZPSGQIKUBRO-SNVBAGLBSA-N 1 2 231.299 1.634 20 0 BDADLO CCCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000112734532 588815098 /nfs/dbraw/zinc/81/50/98/588815098.db2.gz QWMPYDDZWGDEDG-UHFFFAOYSA-N 1 2 218.256 1.830 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C2CCCC2)C1 ZINC000854962511 588819029 /nfs/dbraw/zinc/81/90/29/588819029.db2.gz LNJAPYZFHLYKHL-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H]1C[C@@H]1c1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000855002118 588820000 /nfs/dbraw/zinc/82/00/00/588820000.db2.gz OQAZAZBCCHKVSX-YUMQZZPRSA-N 1 2 245.286 1.437 20 0 BDADLO C[C@@H](Cc1ccccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855050570 588821773 /nfs/dbraw/zinc/82/17/73/588821773.db2.gz ADSKVLQGHUTTIV-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO Cc1cnc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)c1 ZINC000855135094 588822563 /nfs/dbraw/zinc/82/25/63/588822563.db2.gz DBVPODYNKNIQOE-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO Cc1cnc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)c1 ZINC000855135094 588822564 /nfs/dbraw/zinc/82/25/64/588822564.db2.gz DBVPODYNKNIQOE-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1c[nH]nc1C1CC1 ZINC000855135984 588823120 /nfs/dbraw/zinc/82/31/20/588823120.db2.gz KIVBOTYDZLYCRF-UHFFFAOYSA-N 1 2 245.286 1.282 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1c[nH]nc1C1CC1 ZINC000855135984 588823121 /nfs/dbraw/zinc/82/31/21/588823121.db2.gz KIVBOTYDZLYCRF-UHFFFAOYSA-N 1 2 245.286 1.282 20 0 BDADLO COCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000855216705 588826090 /nfs/dbraw/zinc/82/60/90/588826090.db2.gz NRFWBPKLMXAHFS-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000855409865 588831713 /nfs/dbraw/zinc/83/17/13/588831713.db2.gz GWZVNXMUBAFIID-SRXIBPRUSA-N 1 2 240.347 1.178 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000855409865 588831714 /nfs/dbraw/zinc/83/17/14/588831714.db2.gz GWZVNXMUBAFIID-SRXIBPRUSA-N 1 2 240.347 1.178 20 0 BDADLO CCC[C@H]([NH2+]Cc1cnn(C)n1)c1ccccn1 ZINC000806167944 582520784 /nfs/dbraw/zinc/52/07/84/582520784.db2.gz CVRMDLRLRINCIK-LBPRGKRZSA-N 1 2 245.330 1.841 20 0 BDADLO CCC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccn1 ZINC000806167943 582520982 /nfs/dbraw/zinc/52/09/82/582520982.db2.gz CVRMDLRLRINCIK-GFCCVEGCSA-N 1 2 245.330 1.841 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCc3ccc(F)cc32)n1 ZINC000806168443 582523044 /nfs/dbraw/zinc/52/30/44/582523044.db2.gz MMBDWNPVWLHNNH-CYBMUJFWSA-N 1 2 246.289 1.731 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000855427441 588833881 /nfs/dbraw/zinc/83/38/81/588833881.db2.gz YZSJDWOILVCIFN-QWRGUYRKSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@@H]1C[C@H]1C ZINC000890851751 582581062 /nfs/dbraw/zinc/58/10/62/582581062.db2.gz DTYZUYAXVLOGOX-MWLCHTKSSA-N 1 2 243.310 1.915 20 0 BDADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000891168077 582618906 /nfs/dbraw/zinc/61/89/06/582618906.db2.gz NQGHBFYIINUGIC-WDEREUQCSA-N 1 2 247.342 1.989 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@H](C)CO1 ZINC000888976943 582640235 /nfs/dbraw/zinc/64/02/35/582640235.db2.gz IYDTZBDHBYVHIN-JOYOIKCWSA-N 1 2 234.299 1.429 20 0 BDADLO CCn1ncc(C[N@H+](CC)[C@H]2CCCOC2)n1 ZINC000846053202 582644047 /nfs/dbraw/zinc/64/40/47/582644047.db2.gz SWJHVAAANYIVSS-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+](CC)[C@H]2CCCOC2)n1 ZINC000846053202 582644048 /nfs/dbraw/zinc/64/40/48/582644048.db2.gz SWJHVAAANYIVSS-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)C1CCSCC1 ZINC000846091698 582644547 /nfs/dbraw/zinc/64/45/47/582644547.db2.gz OBJRUIIOMQKLNA-VIFPVBQESA-N 1 2 246.376 1.175 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)C[C@H]1O ZINC000846841057 582667589 /nfs/dbraw/zinc/66/75/89/582667589.db2.gz VYPQYXOMHGJXFX-GMSGAONNSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)C[C@H]1O ZINC000846841057 582667591 /nfs/dbraw/zinc/66/75/91/582667591.db2.gz VYPQYXOMHGJXFX-GMSGAONNSA-N 1 2 244.697 1.687 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H](C)CO2)c[nH+]1 ZINC000891369845 582672082 /nfs/dbraw/zinc/67/20/82/582672082.db2.gz GNDVWEHUJPOYFB-TVQRCGJNSA-N 1 2 248.326 1.740 20 0 BDADLO O=C(NC/C=C\Cl)NCCCn1cc[nH+]c1 ZINC000891429207 582683120 /nfs/dbraw/zinc/68/31/20/582683120.db2.gz LXVCRWRABUHZMB-IWQZZHSRSA-N 1 2 242.710 1.325 20 0 BDADLO CCc1cc(NC[C@@H](C)O)nc(CC)[nH+]1 ZINC000891437964 582685335 /nfs/dbraw/zinc/68/53/35/582685335.db2.gz ZVMCYWDJCBZSMN-MRVPVSSYSA-N 1 2 209.293 1.394 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cccc2c1OCC2 ZINC000891494519 582693117 /nfs/dbraw/zinc/69/31/17/582693117.db2.gz DYOGATHVAWJKNY-UHFFFAOYSA-N 1 2 248.326 1.142 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc2c1OCC2 ZINC000891494519 582693121 /nfs/dbraw/zinc/69/31/21/582693121.db2.gz DYOGATHVAWJKNY-UHFFFAOYSA-N 1 2 248.326 1.142 20 0 BDADLO CC(=O)NCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891489859 582693178 /nfs/dbraw/zinc/69/31/78/582693178.db2.gz NXSWNDGGQJHVBJ-UHFFFAOYSA-N 1 2 248.330 1.601 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CCCCNC2=O)[nH+]1 ZINC000891960670 582748335 /nfs/dbraw/zinc/74/83/35/582748335.db2.gz PFVKJJYMZCXLKJ-KOLCDFICSA-N 1 2 249.314 1.216 20 0 BDADLO CN(C)c1cc(NCc2ccoc2)[nH+]cn1 ZINC000891995427 582757288 /nfs/dbraw/zinc/75/72/88/582757288.db2.gz IPEAOLOHUSWDRS-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO CN(C)c1cc(NCc2ccoc2)nc[nH+]1 ZINC000891995427 582757290 /nfs/dbraw/zinc/75/72/90/582757290.db2.gz IPEAOLOHUSWDRS-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCC2CCCC2)c1 ZINC000892024060 582764195 /nfs/dbraw/zinc/76/41/95/582764195.db2.gz UEORZQQXNABIQH-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO c1cn(C2CC2)c(CN2CCOCC23CCC3)[nH+]1 ZINC000892068259 582785151 /nfs/dbraw/zinc/78/51/51/582785151.db2.gz IQBHVSHLMLGAPQ-UHFFFAOYSA-N 1 2 247.342 1.973 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000892090795 582789205 /nfs/dbraw/zinc/78/92/05/582789205.db2.gz AWQAZSCCJDFVOR-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000892090795 582789207 /nfs/dbraw/zinc/78/92/07/582789207.db2.gz AWQAZSCCJDFVOR-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO CC[C@H](NCc1cn(C)c[nH+]1)C(F)(F)F ZINC000393605795 582817086 /nfs/dbraw/zinc/81/70/86/582817086.db2.gz FWEMHFZYEZRMGO-QMMMGPOBSA-N 1 2 221.226 1.851 20 0 BDADLO CCCCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000889530341 582822119 /nfs/dbraw/zinc/82/21/19/582822119.db2.gz NQTWVAZVHBVWRP-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CCCCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000889530341 582822120 /nfs/dbraw/zinc/82/21/20/582822120.db2.gz NQTWVAZVHBVWRP-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO C[C@H]1CC[N@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000725779717 582848352 /nfs/dbraw/zinc/84/83/52/582848352.db2.gz UZSKSZIXXXSKDJ-NSHDSACASA-N 1 2 247.342 1.421 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000725779717 582848353 /nfs/dbraw/zinc/84/83/53/582848353.db2.gz UZSKSZIXXXSKDJ-NSHDSACASA-N 1 2 247.342 1.421 20 0 BDADLO Nc1nc(N2CCCC2)nc(C2CCCC2)[nH+]1 ZINC000111753553 582860959 /nfs/dbraw/zinc/86/09/59/582860959.db2.gz XMYVBSBDEPGIBL-UHFFFAOYSA-N 1 2 233.319 1.712 20 0 BDADLO Nc1nc(C2CCCC2)[nH+]c(N2CCCC2)n1 ZINC000111753553 582860962 /nfs/dbraw/zinc/86/09/62/582860962.db2.gz XMYVBSBDEPGIBL-UHFFFAOYSA-N 1 2 233.319 1.712 20 0 BDADLO CC[C@H](C)[C@@](C)(O)CNc1cc(NC)nc[nH+]1 ZINC000892501468 582898860 /nfs/dbraw/zinc/89/88/60/582898860.db2.gz JCRSWYKUKKBCHA-CABZTGNLSA-N 1 2 238.335 1.727 20 0 BDADLO CC(=O)c1c(F)cncc1N(C)Cc1[nH]cc[nH+]1 ZINC000892560393 582914200 /nfs/dbraw/zinc/91/42/00/582914200.db2.gz VALVGUIFOLCRKM-UHFFFAOYSA-N 1 2 248.261 1.783 20 0 BDADLO CC[C@H](COC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892623375 582932629 /nfs/dbraw/zinc/93/26/29/582932629.db2.gz WFWXCRYVVKTICN-NXEZZACHSA-N 1 2 224.304 1.972 20 0 BDADLO COc1ccc(C[NH2+]Cc2nccs2)nc1 ZINC000892640053 582935820 /nfs/dbraw/zinc/93/58/20/582935820.db2.gz FDNULHARGWQZAJ-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000856242396 588865120 /nfs/dbraw/zinc/86/51/20/588865120.db2.gz AMVMPDGAHWPPTH-FGWVZKOKSA-N 1 2 233.315 1.742 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000856268404 588866016 /nfs/dbraw/zinc/86/60/16/588866016.db2.gz RBANSYVGANFTLS-MFKMUULPSA-N 1 2 245.282 1.242 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@@H]1C ZINC000892737774 582973081 /nfs/dbraw/zinc/97/30/81/582973081.db2.gz KOYOMEKYZWRRBL-UWVGGRQHSA-N 1 2 220.320 1.635 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@@H]1C ZINC000892737774 582973082 /nfs/dbraw/zinc/97/30/82/582973082.db2.gz KOYOMEKYZWRRBL-UWVGGRQHSA-N 1 2 220.320 1.635 20 0 BDADLO C[C@H](O)c1cccc(NCC(C)(C)CCO)[nH+]1 ZINC000892738278 582973519 /nfs/dbraw/zinc/97/35/19/582973519.db2.gz AQRZHYPZISCUDD-JTQLQIEISA-N 1 2 238.331 1.955 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(S[C@@H](C)CO)c12 ZINC000892740095 582973895 /nfs/dbraw/zinc/97/38/95/582973895.db2.gz MQOVPIKFHSMSCW-ZETCQYMHSA-N 1 2 237.328 1.993 20 0 BDADLO C[C@H](NC(=O)c1cccc(F)n1)c1[nH+]ccn1C ZINC000856281215 588866905 /nfs/dbraw/zinc/86/69/05/588866905.db2.gz MVNXNJJUMPJDMA-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@H](NC(=O)c1cc(C=O)c[nH]1)c1[nH+]ccn1C ZINC000856281597 588866939 /nfs/dbraw/zinc/86/69/39/588866939.db2.gz QAHOECDCVLJARM-QMMMGPOBSA-N 1 2 246.270 1.052 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279011 588867087 /nfs/dbraw/zinc/86/70/87/588867087.db2.gz AHKCWHNHQZGBAV-VIFPVBQESA-N 1 2 232.287 1.548 20 0 BDADLO CN(C)c1cc(NCc2ccon2)[nH+]cn1 ZINC000892785752 582981676 /nfs/dbraw/zinc/98/16/76/582981676.db2.gz WHEGIAZQKHZVAT-UHFFFAOYSA-N 1 2 219.248 1.143 20 0 BDADLO CN(C)c1cc(NCc2ccon2)nc[nH+]1 ZINC000892785752 582981677 /nfs/dbraw/zinc/98/16/77/582981677.db2.gz WHEGIAZQKHZVAT-UHFFFAOYSA-N 1 2 219.248 1.143 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1nccn2c[nH+]cc12 ZINC000892848929 582994765 /nfs/dbraw/zinc/99/47/65/582994765.db2.gz XPJAXOPZYDHJHG-VIFPVBQESA-N 1 2 248.286 1.340 20 0 BDADLO CNC(=O)[C@@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892847124 582995652 /nfs/dbraw/zinc/99/56/52/582995652.db2.gz YRGGYWQMTQEOHV-SECBINFHSA-N 1 2 248.330 1.599 20 0 BDADLO CCc1cc(NCCc2nnc[nH]2)nc(CC)[nH+]1 ZINC000892904883 583007527 /nfs/dbraw/zinc/00/75/27/583007527.db2.gz FYJUXGGPJUZQOQ-UHFFFAOYSA-N 1 2 246.318 1.374 20 0 BDADLO CCc1cc(NCCc2nc[nH]n2)nc(CC)[nH+]1 ZINC000892904883 583007528 /nfs/dbraw/zinc/00/75/28/583007528.db2.gz FYJUXGGPJUZQOQ-UHFFFAOYSA-N 1 2 246.318 1.374 20 0 BDADLO Cc1cc(NC2(CO)CC2)nc(C2CCC2)[nH+]1 ZINC000892955799 583020261 /nfs/dbraw/zinc/02/02/61/583020261.db2.gz MBZMABWTVVNXAR-UHFFFAOYSA-N 1 2 233.315 1.989 20 0 BDADLO CCc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)no1 ZINC000893044102 583036148 /nfs/dbraw/zinc/03/61/48/583036148.db2.gz GBMLTMGIVAUADE-MRVPVSSYSA-N 1 2 248.286 1.462 20 0 BDADLO c1[nH+]cn2ccnc(N3CCOC4(CCC4)C3)c12 ZINC000893055644 583038629 /nfs/dbraw/zinc/03/86/29/583038629.db2.gz NMWAJRSMFGCFDC-UHFFFAOYSA-N 1 2 244.298 1.489 20 0 BDADLO COC1(CNc2cc(N(C)C)nc[nH+]2)CCC1 ZINC000893107428 583050545 /nfs/dbraw/zinc/05/05/45/583050545.db2.gz CELKETQDVAYYFX-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO COC1(CNc2cc(N(C)C)[nH+]cn2)CCC1 ZINC000893107428 583050547 /nfs/dbraw/zinc/05/05/47/583050547.db2.gz CELKETQDVAYYFX-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cncc(Cl)c1 ZINC000856721271 588875077 /nfs/dbraw/zinc/87/50/77/588875077.db2.gz GNTJAEQTLGMBAU-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cncc(Cl)c1 ZINC000856721271 588875078 /nfs/dbraw/zinc/87/50/78/588875078.db2.gz GNTJAEQTLGMBAU-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ccn1 ZINC000856727925 588875542 /nfs/dbraw/zinc/87/55/42/588875542.db2.gz HFSCSZSJFSIRQK-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ccn1 ZINC000856727925 588875543 /nfs/dbraw/zinc/87/55/43/588875543.db2.gz HFSCSZSJFSIRQK-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO CON1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000856745500 588875728 /nfs/dbraw/zinc/87/57/28/588875728.db2.gz GWINWVUYZVEROS-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO OCCn1cc(NCc2[nH+]ccn2C2CC2)cn1 ZINC000893245374 583077402 /nfs/dbraw/zinc/07/74/02/583077402.db2.gz NFGYFJIZHYJUFK-UHFFFAOYSA-N 1 2 247.302 1.019 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1cnccn1 ZINC000856765473 588876473 /nfs/dbraw/zinc/87/64/73/588876473.db2.gz DRSINOQOTLWEQE-UHFFFAOYSA-N 1 2 243.314 1.227 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)nc2Cl)[nH]n1 ZINC000856770323 588876549 /nfs/dbraw/zinc/87/65/49/588876549.db2.gz PUYYZYDVEKZCTH-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000856343890 588868530 /nfs/dbraw/zinc/86/85/30/588868530.db2.gz DBZANCXOJGNVAW-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO CCO/C=C\C(=O)OCCc1c[nH+]cn1C ZINC000840590042 583093890 /nfs/dbraw/zinc/09/38/90/583093890.db2.gz SJRCOGZZCVSRLY-WAYWQWQTSA-N 1 2 224.260 1.056 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cscn1 ZINC000855450391 583105778 /nfs/dbraw/zinc/10/57/78/583105778.db2.gz HQBJCXJAASMRJZ-ZETCQYMHSA-N 1 2 236.300 1.286 20 0 BDADLO Cc1nnc(C[NH2+]CCN2CCC[C@H]2C)s1 ZINC000893355363 583120436 /nfs/dbraw/zinc/12/04/36/583120436.db2.gz DWUKNOMJLQBFIY-SECBINFHSA-N 1 2 240.376 1.420 20 0 BDADLO CO[C@H]1CN(c2nccn3c[nH+]cc23)CC[C@H]1C ZINC000893390153 583134208 /nfs/dbraw/zinc/13/42/08/583134208.db2.gz ZWMIFCPUTZTRLE-PWSUYJOCSA-N 1 2 246.314 1.591 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCOC[C@@H]2C)[nH+]1 ZINC000893499870 583154006 /nfs/dbraw/zinc/15/40/06/583154006.db2.gz FRIGLEZYWOZHSG-GARJFASQSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1cncnc1 ZINC000893522919 583156661 /nfs/dbraw/zinc/15/66/61/583156661.db2.gz HYDUBFIHUNTBML-JTQLQIEISA-N 1 2 244.254 1.283 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000893578288 583166767 /nfs/dbraw/zinc/16/67/67/583166767.db2.gz KSTIAZUXEHQSBA-BQBZGAKWSA-N 1 2 243.332 1.449 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]C[C@H]1CCC=CO1 ZINC000840957246 583189102 /nfs/dbraw/zinc/18/91/02/583189102.db2.gz KDZMNESFMYYCOA-VXGBXAGGSA-N 1 2 239.315 1.610 20 0 BDADLO FC(F)[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000893682192 583198476 /nfs/dbraw/zinc/19/84/76/583198476.db2.gz QELYXLPJJUDRQJ-MRVPVSSYSA-N 1 2 238.241 1.821 20 0 BDADLO CCc1c(C)nc2ncnn2c1N1CCCC[NH2+]1 ZINC000893833966 583227805 /nfs/dbraw/zinc/22/78/05/583227805.db2.gz SJHSWEUTWJCMMZ-UHFFFAOYSA-N 1 2 246.318 1.100 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000893872208 583236700 /nfs/dbraw/zinc/23/67/00/583236700.db2.gz VNCHOTQFMBNQAN-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1coc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000893872208 583236706 /nfs/dbraw/zinc/23/67/06/583236706.db2.gz VNCHOTQFMBNQAN-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3oc(=O)oc3c2)CCO1 ZINC000893916193 583245961 /nfs/dbraw/zinc/24/59/61/583245961.db2.gz FBEHLBCDWRXRCT-VIFPVBQESA-N 1 2 249.266 1.607 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3oc(=O)oc3c2)CCO1 ZINC000893916193 583245964 /nfs/dbraw/zinc/24/59/64/583245964.db2.gz FBEHLBCDWRXRCT-VIFPVBQESA-N 1 2 249.266 1.607 20 0 BDADLO COCCN1CC[NH+](Cc2cc(C)co2)CC1 ZINC000893916744 583247060 /nfs/dbraw/zinc/24/70/60/583247060.db2.gz LBBYKVDVODLIHX-UHFFFAOYSA-N 1 2 238.331 1.352 20 0 BDADLO CNc1cc(N[C@H](C)[C@@H](C)OC)nc[nH+]1 ZINC000893917906 583247277 /nfs/dbraw/zinc/24/72/77/583247277.db2.gz ZPXMOCJDICROKA-HTQZYQBOSA-N 1 2 210.281 1.354 20 0 BDADLO CNc1cc(N[C@H](C)[C@@H](C)OC)[nH+]cn1 ZINC000893917906 583247278 /nfs/dbraw/zinc/24/72/78/583247278.db2.gz ZPXMOCJDICROKA-HTQZYQBOSA-N 1 2 210.281 1.354 20 0 BDADLO Cc1n[nH]c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1C ZINC000893953029 583261527 /nfs/dbraw/zinc/26/15/27/583261527.db2.gz PYQNIYLLCKIZFY-DTWKUNHWSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1C ZINC000893953029 583261530 /nfs/dbraw/zinc/26/15/30/583261530.db2.gz PYQNIYLLCKIZFY-DTWKUNHWSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1coc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000893983679 583268623 /nfs/dbraw/zinc/26/86/23/583268623.db2.gz FKBXRONMRWMJOH-STQMWFEESA-N 1 2 248.326 1.831 20 0 BDADLO Cc1coc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000893983679 583268624 /nfs/dbraw/zinc/26/86/24/583268624.db2.gz FKBXRONMRWMJOH-STQMWFEESA-N 1 2 248.326 1.831 20 0 BDADLO CO[C@@H](CNc1cccc([C@H](C)O)[nH+]1)C1CC1 ZINC000893989338 583269739 /nfs/dbraw/zinc/26/97/39/583269739.db2.gz VQQXWCKNXOBAGI-CABZTGNLSA-N 1 2 236.315 1.972 20 0 BDADLO CO[C@H](CNc1cccc([C@@H](C)O)[nH+]1)C1CC1 ZINC000893989337 583269922 /nfs/dbraw/zinc/26/99/22/583269922.db2.gz VQQXWCKNXOBAGI-BXKDBHETSA-N 1 2 236.315 1.972 20 0 BDADLO COC[C@@]1(C)CCN(c2nccn3c[nH+]cc23)C1 ZINC000894023878 583280427 /nfs/dbraw/zinc/28/04/27/583280427.db2.gz MGVMPFJNSWYFKO-ZDUSSCGKSA-N 1 2 246.314 1.592 20 0 BDADLO COCC(COC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894075286 583297377 /nfs/dbraw/zinc/29/73/77/583297377.db2.gz IRFZHSICQSXGPW-SECBINFHSA-N 1 2 240.303 1.208 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ocnc1C ZINC000894087236 583298438 /nfs/dbraw/zinc/29/84/38/583298438.db2.gz WEGYGSXPXMMYHQ-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ocnc1C ZINC000894087236 583298441 /nfs/dbraw/zinc/29/84/41/583298441.db2.gz WEGYGSXPXMMYHQ-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(O)c(F)c1 ZINC000894092404 583300007 /nfs/dbraw/zinc/30/00/07/583300007.db2.gz ZWZUTLMGFOIJTC-UHFFFAOYSA-N 1 2 235.262 1.886 20 0 BDADLO CNc1cc(N[C@H](C)Cc2cnn(C)c2)[nH+]cn1 ZINC000894097657 583302740 /nfs/dbraw/zinc/30/27/40/583302740.db2.gz BBSXSIZMRKEJDZ-SECBINFHSA-N 1 2 246.318 1.295 20 0 BDADLO CN(CCO)c1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894121641 583311469 /nfs/dbraw/zinc/31/14/69/583311469.db2.gz CTHUEZDQUIGWEH-UHFFFAOYSA-N 1 2 246.314 1.450 20 0 BDADLO CN(CCO)c1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894121641 583311472 /nfs/dbraw/zinc/31/14/72/583311472.db2.gz CTHUEZDQUIGWEH-UHFFFAOYSA-N 1 2 246.314 1.450 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnn(C)c2C)o1 ZINC000894126009 583312561 /nfs/dbraw/zinc/31/25/61/583312561.db2.gz ZDYLNVKEQTXWCI-UHFFFAOYSA-N 1 2 249.314 1.962 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2C)o1 ZINC000894126009 583312562 /nfs/dbraw/zinc/31/25/62/583312562.db2.gz ZDYLNVKEQTXWCI-UHFFFAOYSA-N 1 2 249.314 1.962 20 0 BDADLO c1[nH]c(CNc2cccc3c2OCCO3)c[nH+]1 ZINC000894139825 583316053 /nfs/dbraw/zinc/31/60/53/583316053.db2.gz XDDNPUVZXAUCJJ-UHFFFAOYSA-N 1 2 231.255 1.793 20 0 BDADLO c1[nH]cc(CNc2cccc3c2OCCO3)[nH+]1 ZINC000894139825 583316056 /nfs/dbraw/zinc/31/60/56/583316056.db2.gz XDDNPUVZXAUCJJ-UHFFFAOYSA-N 1 2 231.255 1.793 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CCNC(=O)CC2)[nH+]1 ZINC000894206775 583349554 /nfs/dbraw/zinc/34/95/54/583349554.db2.gz OXILEFZZKSFBOB-ZJUUUORDSA-N 1 2 249.314 1.216 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCC2=O)CC2(CCCC2)O1 ZINC000857235964 588900495 /nfs/dbraw/zinc/90/04/95/588900495.db2.gz CKGWWSCNNLUZIA-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCC2=O)CC2(CCCC2)O1 ZINC000857235964 588900496 /nfs/dbraw/zinc/90/04/96/588900496.db2.gz CKGWWSCNNLUZIA-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO O=C1C[N@H+](Cc2ccccc2Cl)CCCN1 ZINC000726791258 583374764 /nfs/dbraw/zinc/37/47/64/583374764.db2.gz BAEWJFRZKMFVJZ-UHFFFAOYSA-N 1 2 238.718 1.662 20 0 BDADLO O=C1C[N@@H+](Cc2ccccc2Cl)CCCN1 ZINC000726791258 583374767 /nfs/dbraw/zinc/37/47/67/583374767.db2.gz BAEWJFRZKMFVJZ-UHFFFAOYSA-N 1 2 238.718 1.662 20 0 BDADLO C=C/C=C/CC[N@@H+](C)Cc1nncn1C ZINC000878618462 583386555 /nfs/dbraw/zinc/38/65/55/583386555.db2.gz AAMONACWIONZQY-AATRIKPKSA-N 1 2 206.293 1.379 20 0 BDADLO C=C/C=C/CC[N@H+](C)Cc1nncn1C ZINC000878618462 583386556 /nfs/dbraw/zinc/38/65/56/583386556.db2.gz AAMONACWIONZQY-AATRIKPKSA-N 1 2 206.293 1.379 20 0 BDADLO C[C@@H]1C[C@H](CO)CN(c2nccn3c[nH+]cc23)C1 ZINC000894245422 583389638 /nfs/dbraw/zinc/38/96/38/583389638.db2.gz LQIDCVQKKMYEJP-MNOVXSKESA-N 1 2 246.314 1.184 20 0 BDADLO C[N@@H+](Cc1cccc(Cl)c1)CN1CCC1=O ZINC000857228924 588896615 /nfs/dbraw/zinc/89/66/15/588896615.db2.gz HQDBPCYCXDKUPO-UHFFFAOYSA-N 1 2 238.718 1.962 20 0 BDADLO C[N@H+](Cc1cccc(Cl)c1)CN1CCC1=O ZINC000857228924 588896616 /nfs/dbraw/zinc/89/66/16/588896616.db2.gz HQDBPCYCXDKUPO-UHFFFAOYSA-N 1 2 238.718 1.962 20 0 BDADLO O=C1CCN1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000857229500 588897229 /nfs/dbraw/zinc/89/72/29/588897229.db2.gz URIHYTPPJHCBFY-MRVPVSSYSA-N 1 2 236.237 1.451 20 0 BDADLO O=C1CCN1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000857229500 588897231 /nfs/dbraw/zinc/89/72/31/588897231.db2.gz URIHYTPPJHCBFY-MRVPVSSYSA-N 1 2 236.237 1.451 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CN2CCC2=O)on1 ZINC000857232000 588897995 /nfs/dbraw/zinc/89/79/95/588897995.db2.gz XRKIDKADYPAERI-SNVBAGLBSA-N 1 2 235.287 1.310 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CN2CCC2=O)on1 ZINC000857232000 588897996 /nfs/dbraw/zinc/89/79/96/588897996.db2.gz XRKIDKADYPAERI-SNVBAGLBSA-N 1 2 235.287 1.310 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1ncccc1F ZINC000894356830 583435986 /nfs/dbraw/zinc/43/59/86/583435986.db2.gz NVQGLZDWHHWSSE-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO COc1ccc[nH+]c1NCc1ocnc1C ZINC000894368729 583439510 /nfs/dbraw/zinc/43/95/10/583439510.db2.gz SMPUOBXOGPJRFQ-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879624725 583442068 /nfs/dbraw/zinc/44/20/68/583442068.db2.gz ZZDNVXIYKBRABY-SCZZXKLOSA-N 1 2 238.335 1.267 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879624725 583442070 /nfs/dbraw/zinc/44/20/70/583442070.db2.gz ZZDNVXIYKBRABY-SCZZXKLOSA-N 1 2 238.335 1.267 20 0 BDADLO CCc1cc(N(C[C@@H](C)O)C2CC2)nc(CC)[nH+]1 ZINC000894437412 583459680 /nfs/dbraw/zinc/45/96/80/583459680.db2.gz YROFAAUQSWCPJN-SNVBAGLBSA-N 1 2 249.358 1.951 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c1C ZINC000894453345 583463238 /nfs/dbraw/zinc/46/32/38/583463238.db2.gz PUZHTVIKSZXHAZ-VPTHRUTESA-N 1 2 243.376 1.225 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1C ZINC000894453345 583463240 /nfs/dbraw/zinc/46/32/40/583463240.db2.gz PUZHTVIKSZXHAZ-VPTHRUTESA-N 1 2 243.376 1.225 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000894533495 583478615 /nfs/dbraw/zinc/47/86/15/583478615.db2.gz NKMNWNYPUUANOB-ONGXEEELSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000894533495 583478617 /nfs/dbraw/zinc/47/86/17/583478617.db2.gz NKMNWNYPUUANOB-ONGXEEELSA-N 1 2 240.303 1.219 20 0 BDADLO Cc1coc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000894535462 583479639 /nfs/dbraw/zinc/47/96/39/583479639.db2.gz TZYYVXJVDOCWAG-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1coc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000894535462 583479642 /nfs/dbraw/zinc/47/96/42/583479642.db2.gz TZYYVXJVDOCWAG-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO CC[C@@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894549412 583482470 /nfs/dbraw/zinc/48/24/70/583482470.db2.gz CZLFHBRPOIDOHG-RKDXNWHRSA-N 1 2 210.277 1.318 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000894576670 583487544 /nfs/dbraw/zinc/48/75/44/583487544.db2.gz DCXVVZXJHQCMCG-DTWKUNHWSA-N 1 2 234.303 1.234 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](O)C23CCC3)[nH+]cn1 ZINC000894576670 583487545 /nfs/dbraw/zinc/48/75/45/583487545.db2.gz DCXVVZXJHQCMCG-DTWKUNHWSA-N 1 2 234.303 1.234 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)sn1 ZINC000894586676 583489169 /nfs/dbraw/zinc/48/91/69/583489169.db2.gz RBRTVMAPJZMGGT-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(=O)[nH]c1 ZINC000894587181 583490324 /nfs/dbraw/zinc/49/03/24/583490324.db2.gz TULOQXSOXNBRIM-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(=O)[nH]c1 ZINC000894587181 583490326 /nfs/dbraw/zinc/49/03/26/583490326.db2.gz TULOQXSOXNBRIM-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(=O)[nH]c1 ZINC000894587181 583490328 /nfs/dbraw/zinc/49/03/28/583490328.db2.gz TULOQXSOXNBRIM-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[C@H](O)c1cccc(N2CCC3(COC3)C2)[nH+]1 ZINC000894609693 583492076 /nfs/dbraw/zinc/49/20/76/583492076.db2.gz GVMSFYIJXIRCEY-JTQLQIEISA-N 1 2 234.299 1.362 20 0 BDADLO CO[C@H](C(=O)OCc1cc[nH+]c(N)c1)C(C)C ZINC000792150754 583500409 /nfs/dbraw/zinc/50/04/09/583500409.db2.gz NYHZFJLKJSYTED-NSHDSACASA-N 1 2 238.287 1.378 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C1CC1)C1COC1 ZINC000894659553 583503915 /nfs/dbraw/zinc/50/39/15/583503915.db2.gz VKFVTXYLNVNYRO-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C1CC1)C1COC1 ZINC000894659553 583503918 /nfs/dbraw/zinc/50/39/18/583503918.db2.gz VKFVTXYLNVNYRO-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO COC1(c2ccccc2)CN(Cc2c[nH+]c[nH]2)C1 ZINC000894783385 583521155 /nfs/dbraw/zinc/52/11/55/583521155.db2.gz SKTITUJWKAQTCQ-UHFFFAOYSA-N 1 2 243.310 1.767 20 0 BDADLO COC1(c2ccccc2)CN(Cc2c[nH]c[nH+]2)C1 ZINC000894783385 583521156 /nfs/dbraw/zinc/52/11/56/583521156.db2.gz SKTITUJWKAQTCQ-UHFFFAOYSA-N 1 2 243.310 1.767 20 0 BDADLO CCc1nnc(C[NH+]2CC(CC)C2)s1 ZINC000894813199 583523871 /nfs/dbraw/zinc/52/38/71/583523871.db2.gz OACMRSGEEHFEGW-UHFFFAOYSA-N 1 2 211.334 1.942 20 0 BDADLO CCOC1C[NH+](Cc2c(C)noc2CC)C1 ZINC000894820588 583525213 /nfs/dbraw/zinc/52/52/13/583525213.db2.gz YIHVZAPEIMEZLV-UHFFFAOYSA-N 1 2 224.304 1.766 20 0 BDADLO CC(C)C1(O)CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894823140 583525562 /nfs/dbraw/zinc/52/55/62/583525562.db2.gz XKNUXZOCWHRJOU-UHFFFAOYSA-N 1 2 235.331 1.421 20 0 BDADLO O[C@@H]1CC[C@H]2CCN(c3nccn4c[nH+]cc34)[C@@H]12 ZINC000894824599 583525888 /nfs/dbraw/zinc/52/58/88/583525888.db2.gz ITKMIICQKZJPOF-MVWJERBFSA-N 1 2 244.298 1.079 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(O)c(F)c2)C1 ZINC000894840587 583529946 /nfs/dbraw/zinc/52/99/46/583529946.db2.gz MXKXCAYDXBOWEZ-UHFFFAOYSA-N 1 2 225.263 1.346 20 0 BDADLO C[C@H]1c2sccc2CC[N@H+]1Cc1cnn(C)n1 ZINC000880377461 583530749 /nfs/dbraw/zinc/53/07/49/583530749.db2.gz WIXZKTUFFAPQAJ-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1cnn(C)n1 ZINC000880377461 583530750 /nfs/dbraw/zinc/53/07/50/583530750.db2.gz WIXZKTUFFAPQAJ-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO CCCN(CC(N)=O)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894850976 583531685 /nfs/dbraw/zinc/53/16/85/583531685.db2.gz KUKNOGZOWLSBNF-UHFFFAOYSA-N 1 2 238.335 1.230 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](O)CC2)c1C ZINC000894866108 583537391 /nfs/dbraw/zinc/53/73/91/583537391.db2.gz IIBMEKKWLDHKBE-NSHDSACASA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](O)CC2)c1C ZINC000894866108 583537392 /nfs/dbraw/zinc/53/73/92/583537392.db2.gz IIBMEKKWLDHKBE-NSHDSACASA-N 1 2 223.320 1.373 20 0 BDADLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CC[C@H](F)C2)C1(F)F ZINC000894873847 583541058 /nfs/dbraw/zinc/54/10/58/583541058.db2.gz KLIKYMWZRPYCGZ-RNJXMRFFSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@@H]1[C@@H](C[N@H+]2CC[C@H](F)C2)C1(F)F ZINC000894873847 583541059 /nfs/dbraw/zinc/54/10/59/583541059.db2.gz KLIKYMWZRPYCGZ-RNJXMRFFSA-N 1 2 237.221 1.085 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000140947658 583546184 /nfs/dbraw/zinc/54/61/84/583546184.db2.gz DJZDXFDXFFSWLO-JTQLQIEISA-N 1 2 242.319 1.174 20 0 BDADLO CC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000140947658 583546187 /nfs/dbraw/zinc/54/61/87/583546187.db2.gz DJZDXFDXFFSWLO-JTQLQIEISA-N 1 2 242.319 1.174 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)[C@H](C)O1 ZINC000894920000 583555769 /nfs/dbraw/zinc/55/57/69/583555769.db2.gz BKBMYXYBPMZGMS-KXUCPTDWSA-N 1 2 236.319 1.520 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)[C@H](C)O1 ZINC000894920000 583555771 /nfs/dbraw/zinc/55/57/71/583555771.db2.gz BKBMYXYBPMZGMS-KXUCPTDWSA-N 1 2 236.319 1.520 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(C)nc(C)c2)nn1 ZINC000894965892 583559876 /nfs/dbraw/zinc/55/98/76/583559876.db2.gz LZJLMFKXCVSPNL-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(Cl)cn2)C1 ZINC000894979826 583563247 /nfs/dbraw/zinc/56/32/47/583563247.db2.gz ASJSHYUWCAATLX-UHFFFAOYSA-N 1 2 226.707 1.549 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000894983899 583564630 /nfs/dbraw/zinc/56/46/30/583564630.db2.gz FIGLLHLPDGOHDS-UHFFFAOYSA-N 1 2 249.318 1.688 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1C ZINC000895014224 583568361 /nfs/dbraw/zinc/56/83/61/583568361.db2.gz HVXMOJWVXMZRHV-RYUDHWBXSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1C ZINC000895014224 583568363 /nfs/dbraw/zinc/56/83/63/583568363.db2.gz HVXMOJWVXMZRHV-RYUDHWBXSA-N 1 2 237.347 1.619 20 0 BDADLO CCN(CC[NH2+][C@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857851680 588912923 /nfs/dbraw/zinc/91/29/23/588912923.db2.gz FXHFJZCCVKQFHI-ZDUSSCGKSA-N 1 2 248.374 1.861 20 0 BDADLO CNc1cc(N2CCC(C(C)=O)CC2)nc[nH+]1 ZINC000895063962 583577647 /nfs/dbraw/zinc/57/76/47/583577647.db2.gz OCDCPGKBMQWNQF-UHFFFAOYSA-N 1 2 234.303 1.324 20 0 BDADLO CNc1cc(N2CCC(C(C)=O)CC2)[nH+]cn1 ZINC000895063962 583577648 /nfs/dbraw/zinc/57/76/48/583577648.db2.gz OCDCPGKBMQWNQF-UHFFFAOYSA-N 1 2 234.303 1.324 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@H](C)CCO)C(=O)OC ZINC000895085271 583584549 /nfs/dbraw/zinc/58/45/49/583584549.db2.gz GXNHJFYWIHVVRB-AXFHLTTASA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@H](C)CCO ZINC000895106480 583589972 /nfs/dbraw/zinc/58/99/72/583589972.db2.gz XIMIORUKZIYKSH-ZJUUUORDSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cn1c2cnccc2n(C)c1=O ZINC000793822216 583590990 /nfs/dbraw/zinc/59/09/90/583590990.db2.gz VYUKINIMCVUJES-JTQLQIEISA-N 1 2 246.314 1.177 20 0 BDADLO CC[C@H]1CC[N@H+]1Cn1c2cnccc2n(C)c1=O ZINC000793822216 583590992 /nfs/dbraw/zinc/59/09/92/583590992.db2.gz VYUKINIMCVUJES-JTQLQIEISA-N 1 2 246.314 1.177 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cn1c2cnccc2n(C)c1=O ZINC000793822222 583591039 /nfs/dbraw/zinc/59/10/39/583591039.db2.gz VYUKINIMCVUJES-SNVBAGLBSA-N 1 2 246.314 1.177 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cn1c2cnccc2n(C)c1=O ZINC000793822222 583591040 /nfs/dbraw/zinc/59/10/40/583591040.db2.gz VYUKINIMCVUJES-SNVBAGLBSA-N 1 2 246.314 1.177 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccco1 ZINC000895112750 583591562 /nfs/dbraw/zinc/59/15/62/583591562.db2.gz GBIPBMDTWBSQOH-LPEHRKFASA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccco1 ZINC000895112750 583591564 /nfs/dbraw/zinc/59/15/64/583591564.db2.gz GBIPBMDTWBSQOH-LPEHRKFASA-N 1 2 222.288 1.377 20 0 BDADLO Cc1nocc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895119229 583592954 /nfs/dbraw/zinc/59/29/54/583592954.db2.gz WPRVXOMDEUBZCD-FXBDTBDDSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1nocc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895119229 583592955 /nfs/dbraw/zinc/59/29/55/583592955.db2.gz WPRVXOMDEUBZCD-FXBDTBDDSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)on1 ZINC000895120570 583594196 /nfs/dbraw/zinc/59/41/96/583594196.db2.gz LMLSBKUTAGGBAC-LPEHRKFASA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)on1 ZINC000895120570 583594197 /nfs/dbraw/zinc/59/41/97/583594197.db2.gz LMLSBKUTAGGBAC-LPEHRKFASA-N 1 2 237.303 1.080 20 0 BDADLO Cc1coc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC000895120603 583594259 /nfs/dbraw/zinc/59/42/59/583594259.db2.gz MSUUUPSCNYSCRI-OUAUKWLOSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1coc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC000895120603 583594261 /nfs/dbraw/zinc/59/42/61/583594261.db2.gz MSUUUPSCNYSCRI-OUAUKWLOSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ncc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)o1 ZINC000895122248 583596238 /nfs/dbraw/zinc/59/62/38/583596238.db2.gz SSHYOOISFGAIKW-DJLDLDEBSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1ncc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)o1 ZINC000895122248 583596240 /nfs/dbraw/zinc/59/62/40/583596240.db2.gz SSHYOOISFGAIKW-DJLDLDEBSA-N 1 2 237.303 1.080 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H](CF)C2)nc[nH+]1 ZINC000895132700 583601053 /nfs/dbraw/zinc/60/10/53/583601053.db2.gz YSBFGSAHKZPHJG-JTQLQIEISA-N 1 2 238.310 1.729 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H](CF)C2)[nH+]cn1 ZINC000895132700 583601056 /nfs/dbraw/zinc/60/10/56/583601056.db2.gz YSBFGSAHKZPHJG-JTQLQIEISA-N 1 2 238.310 1.729 20 0 BDADLO Cc1cc(N2C[C@H]3C[C@@]3(O)C2)nc(C2CCC2)[nH+]1 ZINC000895157121 583608158 /nfs/dbraw/zinc/60/81/58/583608158.db2.gz PEHLWZMBMPFNJN-BXUZGUMPSA-N 1 2 245.326 1.624 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC000895172842 583613015 /nfs/dbraw/zinc/61/30/15/583613015.db2.gz SXBOFDPJSLMZNH-BWZBUEFSSA-N 1 2 242.348 1.065 20 0 BDADLO C[C@H]([NH2+][C@@H](C)C1N=NC(=O)N1C)c1ccccn1 ZINC000895174861 583614721 /nfs/dbraw/zinc/61/47/21/583614721.db2.gz HRXGBRKUWMYUEK-IUCAKERBSA-N 1 2 247.302 1.328 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2nccn2C)c2[nH+]ccn21 ZINC000857773224 588911064 /nfs/dbraw/zinc/91/10/64/588911064.db2.gz LWERZWOLFWLYED-IUCAKERBSA-N 1 2 245.286 1.052 20 0 BDADLO CCc1nc(NC2CC(OC)(OC)C2)cc[nH+]1 ZINC000895252526 583633244 /nfs/dbraw/zinc/63/32/44/583633244.db2.gz NKWHHRCASGKMPV-UHFFFAOYSA-N 1 2 237.303 1.602 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1C ZINC000895258913 583634266 /nfs/dbraw/zinc/63/42/66/583634266.db2.gz IFPDELLKCGWQKH-AWEZNQCLSA-N 1 2 249.358 1.763 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1c2c(nn1C)CCC2 ZINC000895303949 583645555 /nfs/dbraw/zinc/64/55/55/583645555.db2.gz ZDMIYLMYGGBMQY-UHFFFAOYSA-N 1 2 245.330 1.264 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1c2c(nn1C)CCC2 ZINC000895303949 583645556 /nfs/dbraw/zinc/64/55/56/583645556.db2.gz ZDMIYLMYGGBMQY-UHFFFAOYSA-N 1 2 245.330 1.264 20 0 BDADLO Cc1coc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000895388302 583663568 /nfs/dbraw/zinc/66/35/68/583663568.db2.gz IBXYYHGYEBMISN-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1coc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000895388302 583663569 /nfs/dbraw/zinc/66/35/69/583663569.db2.gz IBXYYHGYEBMISN-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000895390576 583664125 /nfs/dbraw/zinc/66/41/25/583664125.db2.gz YQTKZKXUVZWAJY-UHFFFAOYSA-N 1 2 245.330 1.815 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000895390576 583664126 /nfs/dbraw/zinc/66/41/26/583664126.db2.gz YQTKZKXUVZWAJY-UHFFFAOYSA-N 1 2 245.330 1.815 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000335715675 583665526 /nfs/dbraw/zinc/66/55/26/583665526.db2.gz OZJURHKHHMCNCQ-JTQLQIEISA-N 1 2 235.331 1.863 20 0 BDADLO Cc1nc([C@@H]2CCN(c3cc[nH+]cc3F)C2)no1 ZINC000895399727 583666189 /nfs/dbraw/zinc/66/61/89/583666189.db2.gz DQAYLMBCYCPCMR-SECBINFHSA-N 1 2 248.261 1.906 20 0 BDADLO FC(F)[C@H]1CC[N@@H+]1C[C@H]1CCCOC1 ZINC000895430610 583669417 /nfs/dbraw/zinc/66/94/17/583669417.db2.gz GKONDHFZGDYRML-RKDXNWHRSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@H]1CC[N@H+]1C[C@H]1CCCOC1 ZINC000895430610 583669418 /nfs/dbraw/zinc/66/94/18/583669418.db2.gz GKONDHFZGDYRML-RKDXNWHRSA-N 1 2 205.248 1.752 20 0 BDADLO CC(=O)CC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857884790 588920387 /nfs/dbraw/zinc/92/03/87/588920387.db2.gz FCECRLVUCYHVRN-UHFFFAOYSA-N 1 2 246.310 1.444 20 0 BDADLO CC(=O)CC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857884790 588920388 /nfs/dbraw/zinc/92/03/88/588920388.db2.gz FCECRLVUCYHVRN-UHFFFAOYSA-N 1 2 246.310 1.444 20 0 BDADLO COC(=O)/C(C)=C\CNc1cc(CO)cc[nH+]1 ZINC000895513482 583682408 /nfs/dbraw/zinc/68/24/08/583682408.db2.gz ONYGGYUUADNJTQ-OQFOIZHKSA-N 1 2 236.271 1.105 20 0 BDADLO COC(=O)/C(C)=C/CNc1[nH+]cccc1OC ZINC000895512374 583682489 /nfs/dbraw/zinc/68/24/89/583682489.db2.gz JYBFPVAXONKEFP-RMKNXTFCSA-N 1 2 236.271 1.621 20 0 BDADLO CCC(=CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)CC ZINC000857889625 588921230 /nfs/dbraw/zinc/92/12/30/588921230.db2.gz LXNKTIPGTARBEK-LLVKDONJSA-N 1 2 233.315 1.670 20 0 BDADLO c1[nH]nnc1C[NH2+]C1CC2(C1)CCCC2 ZINC000895531914 583685621 /nfs/dbraw/zinc/68/56/21/583685621.db2.gz NBVGBAQBGQCAKL-UHFFFAOYSA-N 1 2 206.293 1.617 20 0 BDADLO c1n[nH]nc1C[NH2+]C1CC2(C1)CCCC2 ZINC000895531914 583685622 /nfs/dbraw/zinc/68/56/22/583685622.db2.gz NBVGBAQBGQCAKL-UHFFFAOYSA-N 1 2 206.293 1.617 20 0 BDADLO FC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000895545479 583689183 /nfs/dbraw/zinc/68/91/83/583689183.db2.gz FCEMEKYIBHESGO-UHFFFAOYSA-N 1 2 238.310 1.937 20 0 BDADLO CCOC(=O)[C@@H]1[C@@H]2CCN(c3cccc[nH+]3)C[C@@H]21 ZINC000895588270 583694835 /nfs/dbraw/zinc/69/48/35/583694835.db2.gz DRQHWEMGCUGPQP-NTZNESFSSA-N 1 2 246.310 1.717 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608619 583695588 /nfs/dbraw/zinc/69/55/88/583695588.db2.gz QVIJSCYSIIKUTI-QWRGUYRKSA-N 1 2 249.314 1.035 20 0 BDADLO CCc1[nH]nc(Cl)c1CNCc1[nH]cc[nH+]1 ZINC000895703581 583709609 /nfs/dbraw/zinc/70/96/09/583709609.db2.gz DDKPFPHWXUBWCV-UHFFFAOYSA-N 1 2 239.710 1.638 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+][C@@H](C)C(F)F)cc1C ZINC000895724991 583713241 /nfs/dbraw/zinc/71/32/41/583713241.db2.gz JZZCAPCLZJZFSY-ZETCQYMHSA-N 1 2 246.257 1.853 20 0 BDADLO Cn1ccc(C[NH2+]Cc2nc(C(F)F)no2)c1 ZINC000895727988 583713512 /nfs/dbraw/zinc/71/35/12/583713512.db2.gz ZGOQDGJCVUGWTP-UHFFFAOYSA-N 1 2 242.229 1.636 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)CC1CCCC1)[C@@H](C)O ZINC000895744065 583716132 /nfs/dbraw/zinc/71/61/32/583716132.db2.gz UFLKYGJQNRIHCK-UMNHJUIQSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1occc1C[N@@H+]1CCCn2nncc2C1 ZINC000895757295 583720534 /nfs/dbraw/zinc/72/05/34/583720534.db2.gz RJOCIPNXSQVJFO-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO Cc1occc1C[N@H+]1CCCn2nncc2C1 ZINC000895757295 583720536 /nfs/dbraw/zinc/72/05/36/583720536.db2.gz RJOCIPNXSQVJFO-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000895808692 583729674 /nfs/dbraw/zinc/72/96/74/583729674.db2.gz RVJMRJUEIQTUDQ-WDSKDSINSA-N 1 2 224.087 1.085 20 0 BDADLO CCCSC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC000895811103 583730758 /nfs/dbraw/zinc/73/07/58/583730758.db2.gz DXSVQHPWLKGOEP-IUCAKERBSA-N 1 2 217.334 1.423 20 0 BDADLO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCOC1=O ZINC000895804916 583732036 /nfs/dbraw/zinc/73/20/36/583732036.db2.gz OBHKOEUWRKPMFC-SCZZXKLOSA-N 1 2 225.313 1.584 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857948115 588925083 /nfs/dbraw/zinc/92/50/83/588925083.db2.gz XZHMMGGYVPDTOM-LBQOUHFTSA-N 1 2 233.315 1.670 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCCN1c1cccc[nH+]1 ZINC000895852325 583736581 /nfs/dbraw/zinc/73/65/81/583736581.db2.gz DCMWSCNCAKCMKL-LLVKDONJSA-N 1 2 247.342 1.965 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCCN1c1cccc[nH+]1 ZINC000895852326 583736980 /nfs/dbraw/zinc/73/69/80/583736980.db2.gz DCMWSCNCAKCMKL-NSHDSACASA-N 1 2 247.342 1.965 20 0 BDADLO CS/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857962809 588925741 /nfs/dbraw/zinc/92/57/41/588925741.db2.gz MTDHVMXPAVBFRR-SGRBOOSSSA-N 1 2 237.328 1.191 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2COC[C@@H]2C)[nH+]1 ZINC000895905077 583743065 /nfs/dbraw/zinc/74/30/65/583743065.db2.gz HXWDGKVRXDWMEY-XVKPBYJWSA-N 1 2 232.287 1.713 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857976607 588926184 /nfs/dbraw/zinc/92/61/84/588926184.db2.gz HSSIJVCIUXXPBC-GXSJLCMTSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[C@H]2C[C@H]2C1 ZINC000857975936 588926253 /nfs/dbraw/zinc/92/62/53/588926253.db2.gz SXXSSPDJCHYWMB-ZDCRXTMVSA-N 1 2 231.299 1.490 20 0 BDADLO CCc1cc(C(=O)N2CC[NH+](C3CC3)CC2)no1 ZINC000895939834 583749995 /nfs/dbraw/zinc/74/99/95/583749995.db2.gz AIPRDVBSUWKOIQ-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO CCC(F)(F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857974440 588926432 /nfs/dbraw/zinc/92/64/32/588926432.db2.gz HKHTYOLUBASZMG-ZETCQYMHSA-N 1 2 229.230 1.489 20 0 BDADLO Cc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)ccn1C ZINC000857978540 588926894 /nfs/dbraw/zinc/92/68/94/588926894.db2.gz HUPLQCILLRBKBG-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978861 588926901 /nfs/dbraw/zinc/92/69/01/588926901.db2.gz RCNONLMXDHYZLL-JTQLQIEISA-N 1 2 233.315 1.880 20 0 BDADLO C[NH+](C)C1(c2nc(Cc3ccncc3)no2)CC1 ZINC000895991093 583757574 /nfs/dbraw/zinc/75/75/74/583757574.db2.gz ZFHZUZBMLMRZBF-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979952 588927176 /nfs/dbraw/zinc/92/71/76/588927176.db2.gz HCLWXIVJKUCKMJ-WCBMZHEXSA-N 1 2 239.344 1.586 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980166 588927313 /nfs/dbraw/zinc/92/73/13/588927313.db2.gz JGQRKASFHUKJOO-ZJUUUORDSA-N 1 2 237.303 1.259 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H]1C1CC1 ZINC000857978883 588927530 /nfs/dbraw/zinc/92/75/30/588927530.db2.gz RKZUXLLWRODMOG-OUAUKWLOSA-N 1 2 231.299 1.490 20 0 BDADLO CCC[C@H](O)CCNc1cc(CO)cc[nH+]1 ZINC000896182395 583778978 /nfs/dbraw/zinc/77/89/78/583778978.db2.gz JUTQRUYKCVMOKQ-NSHDSACASA-N 1 2 224.304 1.537 20 0 BDADLO CCC[C@@H](O)CCNc1cc[nH+]cc1F ZINC000896184216 583779421 /nfs/dbraw/zinc/77/94/21/583779421.db2.gz UHYOEXFSQCIATK-SECBINFHSA-N 1 2 212.268 1.606 20 0 BDADLO O=C(C[C@@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985183 588928746 /nfs/dbraw/zinc/92/87/46/588928746.db2.gz IOSJNSHVDPWPSM-VHSXEESVSA-N 1 2 235.287 1.013 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983843 588928840 /nfs/dbraw/zinc/92/88/40/588928840.db2.gz WIMXQQMCNSHMOQ-LLVKDONJSA-N 1 2 231.299 1.945 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cscn1 ZINC000857983362 588928860 /nfs/dbraw/zinc/92/88/60/588928860.db2.gz QFGFPTMZUGKIJS-ZETCQYMHSA-N 1 2 234.284 1.214 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983241 588928904 /nfs/dbraw/zinc/92/89/04/588928904.db2.gz YHANKRRMTIILMO-CIUDSAMLSA-N 1 2 205.261 1.100 20 0 BDADLO CCOC(=O)[C@H]1CCN(c2cc(CC)[nH+]cn2)C1 ZINC000896264102 583787365 /nfs/dbraw/zinc/78/73/65/583787365.db2.gz DLHNZSQZPLBBHG-JTQLQIEISA-N 1 2 249.314 1.428 20 0 BDADLO CC[C@H]1C[N@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000214587622 583788273 /nfs/dbraw/zinc/78/82/73/583788273.db2.gz OAORWVPCIHRKRI-UAWPZABVSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1C[N@@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000214587622 583788274 /nfs/dbraw/zinc/78/82/74/583788274.db2.gz OAORWVPCIHRKRI-UAWPZABVSA-N 1 2 227.304 1.217 20 0 BDADLO CCOCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987442 588929477 /nfs/dbraw/zinc/92/94/77/588929477.db2.gz YTYGUXILTRKARY-SNVBAGLBSA-N 1 2 237.303 1.261 20 0 BDADLO CO[C@H](C)CC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997739 588929872 /nfs/dbraw/zinc/92/98/72/588929872.db2.gz UCROICBCPNAUML-SNVBAGLBSA-N 1 2 249.314 1.574 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H]1CCCO1)CCN2 ZINC000857994441 588930018 /nfs/dbraw/zinc/93/00/18/588930018.db2.gz JRKKZGMMIFQPDC-NSHDSACASA-N 1 2 247.298 1.328 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1CCCC1 ZINC000857989718 588930221 /nfs/dbraw/zinc/93/02/21/588930221.db2.gz JOQSSNHTHGWPRX-JTQLQIEISA-N 1 2 219.288 1.634 20 0 BDADLO CCOCCOCCNc1cc(CC)[nH+]cn1 ZINC000896482042 583806023 /nfs/dbraw/zinc/80/60/23/583806023.db2.gz SGUXXYGNXKXAEC-UHFFFAOYSA-N 1 2 239.319 1.504 20 0 BDADLO O[C@H]1CCOC2(CCN(c3cccc[nH+]3)CC2)C1 ZINC000896574707 583813347 /nfs/dbraw/zinc/81/33/47/583813347.db2.gz VWWIDDZWZNTWBS-LBPRGKRZSA-N 1 2 248.326 1.592 20 0 BDADLO COCC(C)(C)c1noc([C@H](C)[NH+](C)C)n1 ZINC000896589335 583816176 /nfs/dbraw/zinc/81/61/76/583816176.db2.gz CKCKYHVTYSKKEX-QMMMGPOBSA-N 1 2 227.308 1.616 20 0 BDADLO CCC1(CC)CNC(=O)[C@H]1Nc1cc[nH+]c(C)n1 ZINC000896675015 583822584 /nfs/dbraw/zinc/82/25/84/583822584.db2.gz SEHWIPJZAPGBFG-LLVKDONJSA-N 1 2 248.330 1.502 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)ncc1C ZINC000896799441 583835167 /nfs/dbraw/zinc/83/51/67/583835167.db2.gz CBQLHUWPDHLEIW-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO CC(C)c1nnnn1Cc1cn2ccccc2[nH+]1 ZINC000728201506 583851284 /nfs/dbraw/zinc/85/12/84/583851284.db2.gz KOIBXFYUMGHJTL-UHFFFAOYSA-N 1 2 242.286 1.493 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CCO[C@@H]2C)[nH+]c1C ZINC000896912659 583853680 /nfs/dbraw/zinc/85/36/80/583853680.db2.gz CLAPFSGLNGULHU-NXEZZACHSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1[nH]c(CNC(=O)C2=COCCC2)[nH+]c1C ZINC000896921716 583856951 /nfs/dbraw/zinc/85/69/51/583856951.db2.gz QISSOIZGSIRUTJ-UHFFFAOYSA-N 1 2 235.287 1.337 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000896924410 583857427 /nfs/dbraw/zinc/85/74/27/583857427.db2.gz MFMCLZABVRRNNK-NEPJUHHUSA-N 1 2 240.347 1.779 20 0 BDADLO CONC(=O)C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000896925373 583858044 /nfs/dbraw/zinc/85/80/44/583858044.db2.gz WOKUVTRJTIGVRA-TZMCWYRMSA-N 1 2 248.326 1.447 20 0 BDADLO CONC(=O)C[NH2+]C1CCC(CSC)CC1 ZINC000896925995 583858111 /nfs/dbraw/zinc/85/81/11/583858111.db2.gz CQUOWCJWRSHQFH-UHFFFAOYSA-N 1 2 246.376 1.175 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000896928880 583859549 /nfs/dbraw/zinc/85/95/49/583859549.db2.gz DDOISJYLDGVFLQ-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cncs2)[nH+]c1C ZINC000896926909 583859980 /nfs/dbraw/zinc/85/99/80/583859980.db2.gz CLJVFDURXNRDOZ-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO CC[C@@H]1C[C@H](C[NH2+]Cc2c[nH]nn2)CCO1 ZINC000858198660 588938643 /nfs/dbraw/zinc/93/86/43/588938643.db2.gz XPUCKPAPVYHQKI-MWLCHTKSSA-N 1 2 224.308 1.100 20 0 BDADLO CC[C@@H]1C[C@H](C[NH2+]Cc2cn[nH]n2)CCO1 ZINC000858198660 588938644 /nfs/dbraw/zinc/93/86/44/588938644.db2.gz XPUCKPAPVYHQKI-MWLCHTKSSA-N 1 2 224.308 1.100 20 0 BDADLO O[C@@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000896971088 583866451 /nfs/dbraw/zinc/86/64/51/583866451.db2.gz MOZZJIMZNYEDJD-MXWKQRLJSA-N 1 2 249.314 1.040 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(C2CC2)CC1 ZINC000897083584 583877754 /nfs/dbraw/zinc/87/77/54/583877754.db2.gz BYQSGCHWUWIDIZ-JTQLQIEISA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(C2CC2)CC1 ZINC000897083584 583877756 /nfs/dbraw/zinc/87/77/56/583877756.db2.gz BYQSGCHWUWIDIZ-JTQLQIEISA-N 1 2 245.326 1.573 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc[nH+]1 ZINC000897071740 583878193 /nfs/dbraw/zinc/87/81/93/583878193.db2.gz KGJVHUBMYMZZRH-ULHKAFAUSA-N 1 2 217.272 1.373 20 0 BDADLO OC1CC2(C[C@@H]2Nc2cc[nH+]c3ccncc23)C1 ZINC000897091604 583879118 /nfs/dbraw/zinc/87/91/18/583879118.db2.gz NXWPIRZLMDNPRA-IMXVTNBVSA-N 1 2 241.294 1.377 20 0 BDADLO COc1ccc[nH+]c1N(C)[C@@H]1CC[C@H]1OC ZINC000897142629 583883364 /nfs/dbraw/zinc/88/33/64/583883364.db2.gz PFCHFRIHIQKQCZ-NXEZZACHSA-N 1 2 222.288 1.704 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000897149283 583885216 /nfs/dbraw/zinc/88/52/16/583885216.db2.gz RSJYPYQIQOLRDQ-MNOVXSKESA-N 1 2 233.315 1.968 20 0 BDADLO C[C@@H](O)c1ccc(NC2CC(CCO)C2)[nH+]c1 ZINC000897236284 583899979 /nfs/dbraw/zinc/89/99/79/583899979.db2.gz FUZSCNYOGMNARR-GRZMOONWSA-N 1 2 236.315 1.708 20 0 BDADLO Cc1cc(NCc2cnc3n2CCOC3)nc[nH+]1 ZINC000897409499 583958048 /nfs/dbraw/zinc/95/80/48/583958048.db2.gz NBMUSILCNNDTAU-UHFFFAOYSA-N 1 2 245.286 1.124 20 0 BDADLO CNc1cc(N[C@@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897450225 583985416 /nfs/dbraw/zinc/98/54/16/583985416.db2.gz AFYWVJKNUODCEA-VHSXEESVSA-N 1 2 234.303 1.355 20 0 BDADLO CNc1cc(N[C@@H]2COC[C@H]2C2CC2)[nH+]cn1 ZINC000897450225 583985417 /nfs/dbraw/zinc/98/54/17/583985417.db2.gz AFYWVJKNUODCEA-VHSXEESVSA-N 1 2 234.303 1.355 20 0 BDADLO CNc1cc(N[C@@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897450223 583985483 /nfs/dbraw/zinc/98/54/83/583985483.db2.gz AFYWVJKNUODCEA-NXEZZACHSA-N 1 2 234.303 1.355 20 0 BDADLO CNc1cc(N[C@@H]2COC[C@@H]2C2CC2)[nH+]cn1 ZINC000897450223 583985484 /nfs/dbraw/zinc/98/54/84/583985484.db2.gz AFYWVJKNUODCEA-NXEZZACHSA-N 1 2 234.303 1.355 20 0 BDADLO Cc1nc(N[C@@H]2Cc3ccccc3[C@H]2O)cc[nH+]1 ZINC000897454532 583987738 /nfs/dbraw/zinc/98/77/38/583987738.db2.gz GHFUBUMJQTYZEP-TZMCWYRMSA-N 1 2 241.294 1.855 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC/C=C/Cl)c1 ZINC000897504689 583998333 /nfs/dbraw/zinc/99/83/33/583998333.db2.gz YGBJXZOOOKSUNT-DUXPYHPUSA-N 1 2 240.690 1.962 20 0 BDADLO CC(=O)c1cccc(NCCCn2cc[nH+]c2)n1 ZINC000865397548 584017865 /nfs/dbraw/zinc/01/78/65/584017865.db2.gz JRTVRDJSFWQUMW-UHFFFAOYSA-N 1 2 244.298 1.983 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897639240 584034062 /nfs/dbraw/zinc/03/40/62/584034062.db2.gz AFBRQKPZYWQCSF-GHMZBOCLSA-N 1 2 235.331 1.841 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1c[nH]nc1Cl ZINC000897645247 584034278 /nfs/dbraw/zinc/03/42/78/584034278.db2.gz FOSQBLBFUPUCOA-QMMMGPOBSA-N 1 2 242.710 1.486 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1c[nH]nc1Cl ZINC000897645247 584034280 /nfs/dbraw/zinc/03/42/80/584034280.db2.gz FOSQBLBFUPUCOA-QMMMGPOBSA-N 1 2 242.710 1.486 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000897679016 584037281 /nfs/dbraw/zinc/03/72/81/584037281.db2.gz HJMGHVLCSWJVMM-NKWVEPMBSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000897679016 584037283 /nfs/dbraw/zinc/03/72/83/584037283.db2.gz HJMGHVLCSWJVMM-NKWVEPMBSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)ccc(O)c2F)C[C@H]1O ZINC000897681148 584039668 /nfs/dbraw/zinc/03/96/68/584039668.db2.gz PNQXTDBMLBHLOW-WRWORJQWSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)C[C@H]1O ZINC000897681148 584039669 /nfs/dbraw/zinc/03/96/69/584039669.db2.gz PNQXTDBMLBHLOW-WRWORJQWSA-N 1 2 243.253 1.483 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cnn(CCF)c1 ZINC000897733269 584046628 /nfs/dbraw/zinc/04/66/28/584046628.db2.gz SOHPXZFPUCTDFV-UHFFFAOYSA-N 1 2 237.282 1.174 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cnn(CCF)c1 ZINC000897733269 584046629 /nfs/dbraw/zinc/04/66/29/584046629.db2.gz SOHPXZFPUCTDFV-UHFFFAOYSA-N 1 2 237.282 1.174 20 0 BDADLO Cc1coc(C[NH+]2CC(N3CCCC3=O)C2)c1 ZINC000897779841 584047530 /nfs/dbraw/zinc/04/75/30/584047530.db2.gz CBUPAUKCIXLYLS-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO CCc1ccc(C[NH+]2CC(N3CCCC3=O)C2)o1 ZINC000897786213 584048382 /nfs/dbraw/zinc/04/83/82/584048382.db2.gz JTJZAYWJNZMQMB-UHFFFAOYSA-N 1 2 248.326 1.649 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCO[C@@H]1C)C(=O)OC ZINC000897835404 584052531 /nfs/dbraw/zinc/05/25/31/584052531.db2.gz DEDLVUAZNJZYOT-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C(=O)OC ZINC000897834285 584052477 /nfs/dbraw/zinc/05/24/77/584052477.db2.gz LQOAIFOYCIBHFI-XHNCKOQMSA-N 1 2 235.274 1.961 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C(=O)OC ZINC000897834284 584052673 /nfs/dbraw/zinc/05/26/73/584052673.db2.gz LQOAIFOYCIBHFI-IWSPIJDZSA-N 1 2 235.274 1.961 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)C(=O)OC ZINC000897834271 584052820 /nfs/dbraw/zinc/05/28/20/584052820.db2.gz LFJRUVJQJFWZHI-QJPTWQEYSA-N 1 2 245.363 1.979 20 0 BDADLO CCC[C@H](C[NH2+]C1(c2nc(C)no2)CC1)OC ZINC000897896579 584058533 /nfs/dbraw/zinc/05/85/33/584058533.db2.gz YZOHGRGPGMEGFO-SNVBAGLBSA-N 1 2 239.319 1.772 20 0 BDADLO Cn1c[nH+]c(CNCc2cc3n(n2)CCCC3)c1 ZINC000898043652 584081175 /nfs/dbraw/zinc/08/11/75/584081175.db2.gz XCNGQDVDKLSOCV-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC000898043652 584081176 /nfs/dbraw/zinc/08/11/76/584081176.db2.gz XCNGQDVDKLSOCV-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000898133388 584085024 /nfs/dbraw/zinc/08/50/24/584085024.db2.gz YJJYWHIYUMXRAB-JTQLQIEISA-N 1 2 237.303 1.794 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898133388 584085028 /nfs/dbraw/zinc/08/50/28/584085028.db2.gz YJJYWHIYUMXRAB-JTQLQIEISA-N 1 2 237.303 1.794 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898182839 584092895 /nfs/dbraw/zinc/09/28/95/584092895.db2.gz GRFXJMJABHEOGD-NXEZZACHSA-N 1 2 229.251 1.193 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898182839 584092897 /nfs/dbraw/zinc/09/28/97/584092897.db2.gz GRFXJMJABHEOGD-NXEZZACHSA-N 1 2 229.251 1.193 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186749 584093838 /nfs/dbraw/zinc/09/38/38/584093838.db2.gz FLAONZVRVWOUQN-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898186749 584093840 /nfs/dbraw/zinc/09/38/40/584093840.db2.gz FLAONZVRVWOUQN-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187372 584094220 /nfs/dbraw/zinc/09/42/20/584094220.db2.gz FPKBSBGEGMVBGT-WDEREUQCSA-N 1 2 242.269 1.313 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187372 584094222 /nfs/dbraw/zinc/09/42/22/584094222.db2.gz FPKBSBGEGMVBGT-WDEREUQCSA-N 1 2 242.269 1.313 20 0 BDADLO O[C@H]1CCN(Cc2cccc3[nH+]ccn32)C[C@H]1F ZINC000898188635 584094907 /nfs/dbraw/zinc/09/49/07/584094907.db2.gz SIKZNAGTWDGCED-NEPJUHHUSA-N 1 2 249.289 1.239 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000898256983 584106673 /nfs/dbraw/zinc/10/66/73/584106673.db2.gz KYDWPBXDZQKGEN-GARJFASQSA-N 1 2 248.330 1.740 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC=C(Cl)Cl ZINC000898307044 584109773 /nfs/dbraw/zinc/10/97/73/584109773.db2.gz SNWIHVMWEPOVPK-UHFFFAOYSA-N 1 2 248.113 1.398 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485941 584140025 /nfs/dbraw/zinc/14/00/25/584140025.db2.gz OTBAYCVPVRNVKX-VXGBXAGGSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898485941 584140026 /nfs/dbraw/zinc/14/00/26/584140026.db2.gz OTBAYCVPVRNVKX-VXGBXAGGSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494064 584140119 /nfs/dbraw/zinc/14/01/19/584140119.db2.gz DWOTULMQKNRZIZ-VXGBXAGGSA-N 1 2 244.354 1.829 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494064 584140121 /nfs/dbraw/zinc/14/01/21/584140121.db2.gz DWOTULMQKNRZIZ-VXGBXAGGSA-N 1 2 244.354 1.829 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)C1CC1 ZINC000898494197 584140264 /nfs/dbraw/zinc/14/02/64/584140264.db2.gz HNVZNTRZHKUOBP-ZYHUDNBSSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)C1CC1 ZINC000898494197 584140267 /nfs/dbraw/zinc/14/02/67/584140267.db2.gz HNVZNTRZHKUOBP-ZYHUDNBSSA-N 1 2 242.338 1.583 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000898615381 584147341 /nfs/dbraw/zinc/14/73/41/584147341.db2.gz GHFSYQNVJSDNJF-SNVBAGLBSA-N 1 2 238.335 1.750 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000898616836 584147536 /nfs/dbraw/zinc/14/75/36/584147536.db2.gz WAMZXTHOUBZESP-JQWIXIFHSA-N 1 2 248.330 1.504 20 0 BDADLO Cc1nocc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898810371 584160342 /nfs/dbraw/zinc/16/03/42/584160342.db2.gz LWFZYSHEOVROBD-VIFPVBQESA-N 1 2 232.243 1.054 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899199382 584180256 /nfs/dbraw/zinc/18/02/56/584180256.db2.gz DGMMMQHUPSRCRK-IWSPIJDZSA-N 1 2 205.261 1.134 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899199382 584180257 /nfs/dbraw/zinc/18/02/57/584180257.db2.gz DGMMMQHUPSRCRK-IWSPIJDZSA-N 1 2 205.261 1.134 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@](O)(C(F)F)C1 ZINC000858560286 588966009 /nfs/dbraw/zinc/96/60/09/588966009.db2.gz RBINYZVCUHQUTG-NSHDSACASA-N 1 2 244.241 1.297 20 0 BDADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000858588374 588967940 /nfs/dbraw/zinc/96/79/40/588967940.db2.gz ZSFWRFXCNWLPHX-HTQZYQBOSA-N 1 2 243.332 1.202 20 0 BDADLO CC(C)OC1C[NH+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000899901296 584250038 /nfs/dbraw/zinc/25/00/38/584250038.db2.gz HYBBGNPSRXTLDO-SECBINFHSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000899914661 584254456 /nfs/dbraw/zinc/25/44/56/584254456.db2.gz VCLGXLLYFBENMR-LLVKDONJSA-N 1 2 233.315 1.752 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC1(Cl)Cl ZINC000900120957 584275627 /nfs/dbraw/zinc/27/56/27/584275627.db2.gz LREPFJYSGICCKE-LURJTMIESA-N 1 2 248.113 1.262 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CC1(Cl)Cl ZINC000900120957 584275629 /nfs/dbraw/zinc/27/56/29/584275629.db2.gz LREPFJYSGICCKE-LURJTMIESA-N 1 2 248.113 1.262 20 0 BDADLO Cc1nc(CNC(=O)Cc2c[nH]c[nH+]2)cs1 ZINC000900261657 584290013 /nfs/dbraw/zinc/29/00/13/584290013.db2.gz VZTXYUDXFSMKCB-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1nc(CNC(=O)Cc2c[nH+]c[nH]2)cs1 ZINC000900261657 584290014 /nfs/dbraw/zinc/29/00/14/584290014.db2.gz VZTXYUDXFSMKCB-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO CC(C)[C@@H](C)N(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900360395 584296063 /nfs/dbraw/zinc/29/60/63/584296063.db2.gz MIIORDMOHNAFMY-SNVBAGLBSA-N 1 2 235.331 1.988 20 0 BDADLO CC[C@H](O)[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000900455355 584313166 /nfs/dbraw/zinc/31/31/66/584313166.db2.gz RMLKMEAAWPBWGO-WPRPVWTQSA-N 1 2 238.287 1.436 20 0 BDADLO Cc1ncsc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900577377 584328017 /nfs/dbraw/zinc/32/80/17/584328017.db2.gz RSAQQTHBFBYLSI-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1ncsc1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900577377 584328019 /nfs/dbraw/zinc/32/80/19/584328019.db2.gz RSAQQTHBFBYLSI-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000900591812 584329478 /nfs/dbraw/zinc/32/94/78/584329478.db2.gz INKACHWTLJDWIB-QWRGUYRKSA-N 1 2 233.315 1.798 20 0 BDADLO Cc1ncc(C(=O)Nc2cc[nH+]cc2C)n1C ZINC000900619344 584332878 /nfs/dbraw/zinc/33/28/78/584332878.db2.gz QDWQWWGHPPVECZ-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900658725 584336796 /nfs/dbraw/zinc/33/67/96/584336796.db2.gz JOCOJNAIQWZOSM-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO C/C(=C(\F)C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000900716229 584344578 /nfs/dbraw/zinc/34/45/78/584344578.db2.gz GDBXQZVSHKOQBI-FMIVXFBMSA-N 1 2 249.289 1.920 20 0 BDADLO CCC(C)(C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900756137 584345700 /nfs/dbraw/zinc/34/57/00/584345700.db2.gz OXLRPDBMJOVCIL-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO CSCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900762943 584347609 /nfs/dbraw/zinc/34/76/09/584347609.db2.gz HQNBZLIVNMLIIV-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO CSCC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900762943 584347611 /nfs/dbraw/zinc/34/76/11/584347611.db2.gz HQNBZLIVNMLIIV-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900798019 584352980 /nfs/dbraw/zinc/35/29/80/584352980.db2.gz YNFPWYVKZAXARF-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000900832384 584355146 /nfs/dbraw/zinc/35/51/46/584355146.db2.gz WKNMIKMCBSQSHG-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](NC(=O)CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000900839372 584355514 /nfs/dbraw/zinc/35/55/14/584355514.db2.gz FZIITVIVJDYVEZ-WDEREUQCSA-N 1 2 249.314 1.035 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)S1 ZINC000900865168 584359164 /nfs/dbraw/zinc/35/91/64/584359164.db2.gz CKIGZAUWEPOLCW-DTORHVGOSA-N 1 2 239.344 1.305 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H](C)S1 ZINC000900865171 584359334 /nfs/dbraw/zinc/35/93/34/584359334.db2.gz CKIGZAUWEPOLCW-RKDXNWHRSA-N 1 2 239.344 1.305 20 0 BDADLO CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000900894350 584361923 /nfs/dbraw/zinc/36/19/23/584361923.db2.gz UNHGTJFQXOOVGN-JTQLQIEISA-N 1 2 239.344 1.306 20 0 BDADLO CC[C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900865833 584362643 /nfs/dbraw/zinc/36/26/43/584362643.db2.gz XZSISPILNOPDJW-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900865833 584362645 /nfs/dbraw/zinc/36/26/45/584362645.db2.gz XZSISPILNOPDJW-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO COc1ccc(C)nc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900925981 584366692 /nfs/dbraw/zinc/36/66/92/584366692.db2.gz CEPFHQNISZKYOF-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO COc1ccc(C)nc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900925981 584366693 /nfs/dbraw/zinc/36/66/93/584366693.db2.gz CEPFHQNISZKYOF-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO C[C@@H](c1noc([C@H](C)[NH+](C)C)n1)c1cnccn1 ZINC000858842404 588978431 /nfs/dbraw/zinc/97/84/31/588978431.db2.gz RSNNPELYCRHVHZ-BDAKNGLRSA-N 1 2 247.302 1.634 20 0 BDADLO C/C=C/C=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901003532 584373676 /nfs/dbraw/zinc/37/36/76/584373676.db2.gz YUKPJAVJHFFQDS-YTXTXJHMSA-N 1 2 219.288 1.775 20 0 BDADLO Cc1[nH]c(CNC(=O)C=CC2CC2)[nH+]c1C ZINC000900998368 584374877 /nfs/dbraw/zinc/37/48/77/584374877.db2.gz SWGAVXLPEBYJPN-AATRIKPKSA-N 1 2 219.288 1.609 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C/C2CC2)[nH+]c1C ZINC000900998368 584374879 /nfs/dbraw/zinc/37/48/79/584374879.db2.gz SWGAVXLPEBYJPN-AATRIKPKSA-N 1 2 219.288 1.609 20 0 BDADLO CC/C(C)=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996320 584374887 /nfs/dbraw/zinc/37/48/87/584374887.db2.gz BCEWFJXGXFAFFV-VURMDHGXSA-N 1 2 221.304 1.999 20 0 BDADLO CCC(C)=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996320 584374890 /nfs/dbraw/zinc/37/48/90/584374890.db2.gz BCEWFJXGXFAFFV-VURMDHGXSA-N 1 2 221.304 1.999 20 0 BDADLO CSC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999083 584374949 /nfs/dbraw/zinc/37/49/49/584374949.db2.gz WYPLOHFNNZCJEE-PLNGDYQASA-N 1 2 225.317 1.519 20 0 BDADLO CS/C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999083 584374952 /nfs/dbraw/zinc/37/49/52/584374952.db2.gz WYPLOHFNNZCJEE-PLNGDYQASA-N 1 2 225.317 1.519 20 0 BDADLO Cc1ccc(NC(=O)CCF)c(N(C)C)[nH+]1 ZINC000901176599 584396290 /nfs/dbraw/zinc/39/62/90/584396290.db2.gz JNWQJUCFDOVHDT-UHFFFAOYSA-N 1 2 225.267 1.754 20 0 BDADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)C1CCC1 ZINC000901205672 584399855 /nfs/dbraw/zinc/39/98/55/584399855.db2.gz RIEOEMJRTZXZLJ-SNVBAGLBSA-N 1 2 233.315 1.798 20 0 BDADLO C[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C[C@H]1C ZINC000901275835 584413064 /nfs/dbraw/zinc/41/30/64/584413064.db2.gz NFQSGQVTZFJETM-NWDGAFQWSA-N 1 2 247.342 1.998 20 0 BDADLO CCC(=O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000901261637 584417343 /nfs/dbraw/zinc/41/73/43/584417343.db2.gz TYTXQLRGZUAXET-UHFFFAOYSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC12CCC2 ZINC000901299685 584419054 /nfs/dbraw/zinc/41/90/54/584419054.db2.gz GXROAYZTVMIUSI-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@]1(C)CCCCO1)C1CC1 ZINC000901603475 584468085 /nfs/dbraw/zinc/46/80/85/584468085.db2.gz NYXYGIIUKCIFSD-DGCLKSJQSA-N 1 2 241.331 1.487 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cn1nccc1C ZINC000858940549 588986484 /nfs/dbraw/zinc/98/64/84/588986484.db2.gz OXGQKOSNMDNMCC-UHFFFAOYSA-N 1 2 246.270 1.234 20 0 BDADLO CC[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(=O)OC ZINC000901663336 584477009 /nfs/dbraw/zinc/47/70/09/584477009.db2.gz NIKZLDNLVJWYMR-MSLYCWSTSA-N 1 2 241.331 1.485 20 0 BDADLO CCc1nnc(NCc2[nH+]ccn2C2CC2)o1 ZINC000902099300 584525341 /nfs/dbraw/zinc/52/53/41/584525341.db2.gz AOAMXJCJQUXFEI-UHFFFAOYSA-N 1 2 233.275 1.776 20 0 BDADLO Cc1[nH]c(CNc2ncc(C)cn2)[nH+]c1C ZINC000902100949 584525845 /nfs/dbraw/zinc/52/58/45/584525845.db2.gz UNWKWQVIDQMRBV-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO CC[N@@H+](Cc1ccccn1)CN1CCOC1=O ZINC000902182972 584533017 /nfs/dbraw/zinc/53/30/17/584533017.db2.gz UJPHJADMJXMXQR-UHFFFAOYSA-N 1 2 235.287 1.313 20 0 BDADLO CC[N@H+](Cc1ccccn1)CN1CCOC1=O ZINC000902182972 584533018 /nfs/dbraw/zinc/53/30/18/584533018.db2.gz UJPHJADMJXMXQR-UHFFFAOYSA-N 1 2 235.287 1.313 20 0 BDADLO C[N@H+](CCc1nccs1)CN1CCOC1=O ZINC000902197145 584536935 /nfs/dbraw/zinc/53/69/35/584536935.db2.gz XWCXHIXHQRCSTG-UHFFFAOYSA-N 1 2 241.316 1.027 20 0 BDADLO C[N@@H+](CCc1nccs1)CN1CCOC1=O ZINC000902197145 584536936 /nfs/dbraw/zinc/53/69/36/584536936.db2.gz XWCXHIXHQRCSTG-UHFFFAOYSA-N 1 2 241.316 1.027 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cc(C)no2)c1 ZINC000902198245 584537222 /nfs/dbraw/zinc/53/72/22/584537222.db2.gz AXRFUSCFVCINKZ-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1c[nH+]c(CNCc2cc(C)no2)c1 ZINC000902198245 584537224 /nfs/dbraw/zinc/53/72/24/584537224.db2.gz AXRFUSCFVCINKZ-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO Cc1cc(OCc2ccc(N)[nH+]c2)nn1C ZINC000902271996 584549888 /nfs/dbraw/zinc/54/98/88/584549888.db2.gz ZHRBEXNPNICFJT-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccnc(F)c1 ZINC000859067470 588996124 /nfs/dbraw/zinc/99/61/24/588996124.db2.gz VQXGVHBULDKBJE-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859067470 588996125 /nfs/dbraw/zinc/99/61/25/588996125.db2.gz VQXGVHBULDKBJE-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)OCCF ZINC000859066010 588996233 /nfs/dbraw/zinc/99/62/33/588996233.db2.gz LDTDFIBWCPUOAF-UHFFFAOYSA-N 1 2 237.234 1.530 20 0 BDADLO C[C@@H]([NH2+]Cc1csc(N)n1)c1cnn(C)c1 ZINC000902487766 584626463 /nfs/dbraw/zinc/62/64/63/584626463.db2.gz DSDVKIPAOGOFDN-SSDOTTSWSA-N 1 2 237.332 1.310 20 0 BDADLO CCO[C@H]1CC[N@H+](Cn2cccnc2=S)C1 ZINC000902527424 584632950 /nfs/dbraw/zinc/63/29/50/584632950.db2.gz DRXVWEFNZIVIQD-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cn2cccnc2=S)C1 ZINC000902527424 584632953 /nfs/dbraw/zinc/63/29/53/584632953.db2.gz DRXVWEFNZIVIQD-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO CCn1c[nH+]c(CNc2nn(C)cc2Cl)c1 ZINC000902643300 584645615 /nfs/dbraw/zinc/64/56/15/584645615.db2.gz GMBKJRKPOVAGPE-UHFFFAOYSA-N 1 2 239.710 1.902 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)OCCF)CC2 ZINC000859101854 589001992 /nfs/dbraw/zinc/00/19/92/589001992.db2.gz YLKXWSBEYQRLHH-UHFFFAOYSA-N 1 2 227.239 1.113 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1cc[nH]c1=S ZINC000902636056 584648024 /nfs/dbraw/zinc/64/80/24/584648024.db2.gz DSSLBUVVKCINEU-IUCAKERBSA-N 1 2 227.333 1.239 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1cc[nH]c1=S ZINC000902636056 584648027 /nfs/dbraw/zinc/64/80/27/584648027.db2.gz DSSLBUVVKCINEU-IUCAKERBSA-N 1 2 227.333 1.239 20 0 BDADLO CCn1c[nH+]c(CNc2ccc3ncnn3c2)c1 ZINC000902644440 584650912 /nfs/dbraw/zinc/65/09/12/584650912.db2.gz MOEJMLVLPGOIND-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)Cc1cccnc1 ZINC000902723768 584660724 /nfs/dbraw/zinc/66/07/24/584660724.db2.gz WZKGFMQMRGRJAN-VZUCSPMQSA-N 1 2 249.314 1.715 20 0 BDADLO Cc1cc(C)nc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000902739308 584663304 /nfs/dbraw/zinc/66/33/04/584663304.db2.gz UPMZNDWPWDCFOQ-GFCCVEGCSA-N 1 2 249.314 1.876 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992106 584710204 /nfs/dbraw/zinc/71/02/04/584710204.db2.gz HANUTLQSAANKHB-NXEZZACHSA-N 1 2 214.284 1.041 20 0 BDADLO CCN1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992106 584710205 /nfs/dbraw/zinc/71/02/05/584710205.db2.gz HANUTLQSAANKHB-NXEZZACHSA-N 1 2 214.284 1.041 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](F)C1)NCC1CCC1 ZINC000902998259 584715089 /nfs/dbraw/zinc/71/50/89/584715089.db2.gz JHACHOUBRIGPSE-LLVKDONJSA-N 1 2 228.311 1.337 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)NCC1CCC1 ZINC000902998259 584715091 /nfs/dbraw/zinc/71/50/91/584715091.db2.gz JHACHOUBRIGPSE-LLVKDONJSA-N 1 2 228.311 1.337 20 0 BDADLO CCc1noc(C)c1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903000887 584715816 /nfs/dbraw/zinc/71/58/16/584715816.db2.gz ODWYGBPJWLVWFI-QMMMGPOBSA-N 1 2 249.318 1.525 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](F)C1 ZINC000903003131 584716514 /nfs/dbraw/zinc/71/65/14/584716514.db2.gz JWXMCHKSSPJWOZ-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@H](F)C1 ZINC000903003131 584716516 /nfs/dbraw/zinc/71/65/16/584716516.db2.gz JWXMCHKSSPJWOZ-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO CCCc1ncc(C[NH2+][C@H](C)c2cn(C)nn2)o1 ZINC000903011473 584717621 /nfs/dbraw/zinc/71/76/21/584717621.db2.gz FTJDWIHPZSOLFJ-SECBINFHSA-N 1 2 249.318 1.606 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)c2cn(C)nn2)c1 ZINC000903042784 584720651 /nfs/dbraw/zinc/72/06/51/584720651.db2.gz IBRIBRKRQPQYBF-SECBINFHSA-N 1 2 247.302 1.530 20 0 BDADLO Cc1ccc(N[C@@H]2CCO[C@]23CCOC3)c[nH+]1 ZINC000903140057 584730935 /nfs/dbraw/zinc/73/09/35/584730935.db2.gz ZOOZMOZGRYEFDZ-OLZOCXBDSA-N 1 2 234.299 1.750 20 0 BDADLO Cc1cc([C@@H](C)NC[C@H]2CC[N@@H+]2C)no1 ZINC000903317122 584749944 /nfs/dbraw/zinc/74/99/44/584749944.db2.gz JWYWYMRQMDNJPX-NXEZZACHSA-N 1 2 209.293 1.338 20 0 BDADLO Cc1cc([C@@H](C)NC[C@H]2CC[N@H+]2C)no1 ZINC000903317122 584749945 /nfs/dbraw/zinc/74/99/45/584749945.db2.gz JWYWYMRQMDNJPX-NXEZZACHSA-N 1 2 209.293 1.338 20 0 BDADLO COc1ccc(OCCCN2CC=CC[NH2+]2)cc1 ZINC000903488076 584780587 /nfs/dbraw/zinc/78/05/87/584780587.db2.gz VQACZWCGZRQLJR-UHFFFAOYSA-N 1 2 248.326 1.841 20 0 BDADLO CO[C@@H](CN1CC=CC[NH2+]1)C1CCCCC1 ZINC000903491115 584780809 /nfs/dbraw/zinc/78/08/09/584780809.db2.gz VYAKUJRGKXCTKG-ZDUSSCGKSA-N 1 2 224.348 1.958 20 0 BDADLO C[C@@H](c1noc(Cn2cc[nH+]c2)n1)[C@H]1CCCO1 ZINC000903815413 584800835 /nfs/dbraw/zinc/80/08/35/584800835.db2.gz JRRFTXVCQDEZHI-NXEZZACHSA-N 1 2 248.286 1.597 20 0 BDADLO CCCCN(O)C(=O)NCCn1cc[nH+]c1 ZINC000904161218 584843501 /nfs/dbraw/zinc/84/35/01/584843501.db2.gz YUBCGNXXOLXOJV-UHFFFAOYSA-N 1 2 226.280 1.084 20 0 BDADLO CCOCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272927 584859565 /nfs/dbraw/zinc/85/95/65/584859565.db2.gz MGNBTSFJMNXAJX-UHFFFAOYSA-N 1 2 234.259 1.559 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N)nn1 ZINC000904311521 584862688 /nfs/dbraw/zinc/86/26/88/584862688.db2.gz DSZNUYAYKDRBCX-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(N)nn1 ZINC000904311521 584862689 /nfs/dbraw/zinc/86/26/89/584862689.db2.gz DSZNUYAYKDRBCX-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO CC(C)(C)c1cnc(C[NH2+][C@H]2CNOC2)s1 ZINC000904423559 584880556 /nfs/dbraw/zinc/88/05/56/584880556.db2.gz BUQOUMAUFLMVIE-QMMMGPOBSA-N 1 2 241.360 1.434 20 0 BDADLO Fc1cc(F)c(C[NH2+][C@H]2CNOC2)cc1F ZINC000904426616 584881447 /nfs/dbraw/zinc/88/14/47/584881447.db2.gz CUKHOZLZTVCOMI-ZETCQYMHSA-N 1 2 232.205 1.097 20 0 BDADLO c1[nH]c(-c2ccccc2)nc1C[NH2+][C@@H]1CNOC1 ZINC000904421649 584882393 /nfs/dbraw/zinc/88/23/93/584882393.db2.gz MNJGIBQGENHDOO-GFCCVEGCSA-N 1 2 244.298 1.070 20 0 BDADLO Cc1ncc(/C=C/C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000491849004 584892936 /nfs/dbraw/zinc/89/29/36/584892936.db2.gz RLZMTENDJRPKLX-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCCc2sccc2C1 ZINC000730432753 584911073 /nfs/dbraw/zinc/91/10/73/584911073.db2.gz RCVVWVCGQXTPTD-SNVBAGLBSA-N 1 2 237.324 1.812 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCCc2sccc2C1 ZINC000730432753 584911074 /nfs/dbraw/zinc/91/10/74/584911074.db2.gz RCVVWVCGQXTPTD-SNVBAGLBSA-N 1 2 237.324 1.812 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCCCc1[nH+]ccn1C ZINC000835329491 584924297 /nfs/dbraw/zinc/92/42/97/584924297.db2.gz CKXFQVMHVYXXBD-GHMZBOCLSA-N 1 2 236.315 1.942 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC2(Cl)Cl)c[nH+]1 ZINC000732267844 584935097 /nfs/dbraw/zinc/93/50/97/584935097.db2.gz ZDYBGGVIELLAGI-LURJTMIESA-N 1 2 248.113 1.642 20 0 BDADLO C/C=C(\CC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800213292 584944281 /nfs/dbraw/zinc/94/42/81/584944281.db2.gz WPKXOICIDNABCO-DWGGBAKOSA-N 1 2 241.331 1.607 20 0 BDADLO C/C=C(\CC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800213292 584944282 /nfs/dbraw/zinc/94/42/82/584944282.db2.gz WPKXOICIDNABCO-DWGGBAKOSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000733955557 584955295 /nfs/dbraw/zinc/95/52/95/584955295.db2.gz IDWDMNYOMYVDDX-MRVPVSSYSA-N 1 2 207.277 1.462 20 0 BDADLO COC1C[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000733995249 584956061 /nfs/dbraw/zinc/95/60/61/584956061.db2.gz GLFLBUNASZXXHB-LBPRGKRZSA-N 1 2 225.263 1.190 20 0 BDADLO c1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)no1 ZINC000735920081 584984257 /nfs/dbraw/zinc/98/42/57/584984257.db2.gz NAFXPIHHTUWAMD-LLVKDONJSA-N 1 2 238.287 1.402 20 0 BDADLO c1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)no1 ZINC000735920081 584984258 /nfs/dbraw/zinc/98/42/58/584984258.db2.gz NAFXPIHHTUWAMD-LLVKDONJSA-N 1 2 238.287 1.402 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1CCCCO1 ZINC000756296904 585021195 /nfs/dbraw/zinc/02/11/95/585021195.db2.gz YJWJNJYVDDTFOQ-NSHDSACASA-N 1 2 238.287 1.423 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890105093 585023501 /nfs/dbraw/zinc/02/35/01/585023501.db2.gz WNAZYFZAWHCMBS-ZYHUDNBSSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1nonc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000774854785 585036638 /nfs/dbraw/zinc/03/66/38/585036638.db2.gz INPHBQMRQFOTHV-GFCCVEGCSA-N 1 2 247.298 1.591 20 0 BDADLO Cc1nonc1C[N@H+]1CCSC[C@@H]1C ZINC000738339859 585043283 /nfs/dbraw/zinc/04/32/83/585043283.db2.gz KRPUDHGHQQKBQH-ZETCQYMHSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nonc1C[N@@H+]1CCSC[C@@H]1C ZINC000738339859 585043284 /nfs/dbraw/zinc/04/32/84/585043284.db2.gz KRPUDHGHQQKBQH-ZETCQYMHSA-N 1 2 213.306 1.315 20 0 BDADLO CCC(C)(C)OCC(=O)OCCn1cc[nH+]c1 ZINC000838409374 585056928 /nfs/dbraw/zinc/05/69/28/585056928.db2.gz ZVFAHYYVIZJGNB-UHFFFAOYSA-N 1 2 240.303 1.632 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)N[C@@H]1CC=CCC1 ZINC000838479992 585059280 /nfs/dbraw/zinc/05/92/80/585059280.db2.gz CJWVTGAQFBEUBZ-MNOVXSKESA-N 1 2 246.314 1.736 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000838640546 585064157 /nfs/dbraw/zinc/06/41/57/585064157.db2.gz XMKQSPFXUCCPQO-MXWKQRLJSA-N 1 2 248.330 1.910 20 0 BDADLO CCC1(C)CN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000838632924 585064185 /nfs/dbraw/zinc/06/41/85/585064185.db2.gz IIEXMEVWFWFNPC-JTQLQIEISA-N 1 2 248.330 1.769 20 0 BDADLO O=C(CC[N@H+]1CCC(F)(F)C1)N1CCCC1 ZINC000838921680 585078478 /nfs/dbraw/zinc/07/84/78/585078478.db2.gz IRUDEBSOYKOFLJ-UHFFFAOYSA-N 1 2 232.274 1.340 20 0 BDADLO O=C(CC[N@@H+]1CCC(F)(F)C1)N1CCCC1 ZINC000838921680 585078479 /nfs/dbraw/zinc/07/84/79/585078479.db2.gz IRUDEBSOYKOFLJ-UHFFFAOYSA-N 1 2 232.274 1.340 20 0 BDADLO CCn1ncc(C[N@H+](CC)C[C@H](C)OC)n1 ZINC000839109534 585091643 /nfs/dbraw/zinc/09/16/43/585091643.db2.gz JILNMMGFGFHQOG-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncc(C[N@@H+](CC)C[C@H](C)OC)n1 ZINC000839109534 585091644 /nfs/dbraw/zinc/09/16/44/585091644.db2.gz JILNMMGFGFHQOG-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO COCC1(C)C[NH+](Cc2cnn(C)c2Cl)C1 ZINC000839144547 585092056 /nfs/dbraw/zinc/09/20/56/585092056.db2.gz ZOQQRGSRVJGLFX-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cnn3ccccc23)C1 ZINC000839132177 585094010 /nfs/dbraw/zinc/09/40/10/585094010.db2.gz BVVTVCIFPCIECV-UHFFFAOYSA-N 1 2 245.326 1.537 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1cnn(C)n1 ZINC000839173681 585096477 /nfs/dbraw/zinc/09/64/77/585096477.db2.gz KNUARAZKPJNIHB-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1cnn(C)n1 ZINC000839173681 585096478 /nfs/dbraw/zinc/09/64/78/585096478.db2.gz KNUARAZKPJNIHB-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cnns2)C1 ZINC000859207617 589018827 /nfs/dbraw/zinc/01/88/27/589018827.db2.gz UNOOGZOTBGHDFQ-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cnns2)C1 ZINC000859207617 589018828 /nfs/dbraw/zinc/01/88/28/589018828.db2.gz UNOOGZOTBGHDFQ-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)C(C)(C)C ZINC000741145646 585110197 /nfs/dbraw/zinc/11/01/97/585110197.db2.gz YWEXDDHTNQQKMO-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)C(C)(C)C ZINC000741145646 585110198 /nfs/dbraw/zinc/11/01/98/585110198.db2.gz YWEXDDHTNQQKMO-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)OC(=O)CSCC[NH+]1CCOCC1 ZINC000741476869 585114772 /nfs/dbraw/zinc/11/47/72/585114772.db2.gz VAIMWAATWVLWSO-UHFFFAOYSA-N 1 2 247.360 1.003 20 0 BDADLO CCN(CC(=O)NC)Cc1[nH+]ccn1C(C)C ZINC000741786996 585119123 /nfs/dbraw/zinc/11/91/23/585119123.db2.gz JYUAUBMGRNVSMJ-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000742192739 585123059 /nfs/dbraw/zinc/12/30/59/585123059.db2.gz IEMRWPXKVQODAV-VIFPVBQESA-N 1 2 241.360 1.032 20 0 BDADLO C[N@H+](C[C@@H]1CCCCO1)Cn1cc[nH]c1=S ZINC000743355008 585135786 /nfs/dbraw/zinc/13/57/86/585135786.db2.gz CHNLXZTXYDVBQJ-JTQLQIEISA-N 1 2 241.360 1.630 20 0 BDADLO C[N@@H+](C[C@@H]1CCCCO1)Cn1cc[nH]c1=S ZINC000743355008 585135787 /nfs/dbraw/zinc/13/57/87/585135787.db2.gz CHNLXZTXYDVBQJ-JTQLQIEISA-N 1 2 241.360 1.630 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cscn1 ZINC000745080230 585156131 /nfs/dbraw/zinc/15/61/31/585156131.db2.gz QOJNRJFFYQAUAE-SNVBAGLBSA-N 1 2 240.328 1.671 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cscn1 ZINC000745080230 585156132 /nfs/dbraw/zinc/15/61/32/585156132.db2.gz QOJNRJFFYQAUAE-SNVBAGLBSA-N 1 2 240.328 1.671 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(F)F ZINC000745081439 585156154 /nfs/dbraw/zinc/15/61/54/585156154.db2.gz ZBIZGNLPFWWQRW-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(F)F ZINC000745081439 585156155 /nfs/dbraw/zinc/15/61/55/585156155.db2.gz ZBIZGNLPFWWQRW-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO CC(=O)CC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000745989214 585162276 /nfs/dbraw/zinc/16/22/76/585162276.db2.gz SGFQAFSNEJNJGO-IUCAKERBSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000745989214 585162277 /nfs/dbraw/zinc/16/22/77/585162277.db2.gz SGFQAFSNEJNJGO-IUCAKERBSA-N 1 2 239.237 1.617 20 0 BDADLO CCC/C(C)=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000746241765 585166294 /nfs/dbraw/zinc/16/62/94/585166294.db2.gz CAUNYSLUUDBYDU-MDZDMXLPSA-N 1 2 221.304 1.815 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)Cn1ccsc1=O ZINC000746610926 585170710 /nfs/dbraw/zinc/17/07/10/585170710.db2.gz JMZWMWCSZVKYTR-JTQLQIEISA-N 1 2 242.344 1.368 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)Cn1ccsc1=O ZINC000746610926 585170711 /nfs/dbraw/zinc/17/07/11/585170711.db2.gz JMZWMWCSZVKYTR-JTQLQIEISA-N 1 2 242.344 1.368 20 0 BDADLO CCC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000746604195 585170765 /nfs/dbraw/zinc/17/07/65/585170765.db2.gz ZLACPSHLXHQUSY-UHFFFAOYSA-N 1 2 226.345 1.989 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccccc1OC ZINC000746652941 585171694 /nfs/dbraw/zinc/17/16/94/585171694.db2.gz RJZGMTWSILAQOG-UHFFFAOYSA-N 1 2 236.315 1.263 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccccc1OC ZINC000746652941 585171695 /nfs/dbraw/zinc/17/16/95/585171695.db2.gz RJZGMTWSILAQOG-UHFFFAOYSA-N 1 2 236.315 1.263 20 0 BDADLO CC1=C(C(=O)OCC[NH+]2CCOCC2)CCC1 ZINC000747169627 585176174 /nfs/dbraw/zinc/17/61/74/585176174.db2.gz AALFFEWNKCBKDS-UHFFFAOYSA-N 1 2 239.315 1.362 20 0 BDADLO C[C@H](CNC(=O)C(F)(F)F)Cn1cc[nH+]c1 ZINC000747401477 585178711 /nfs/dbraw/zinc/17/87/11/585178711.db2.gz XYEZDNDQUSESOL-SSDOTTSWSA-N 1 2 235.209 1.198 20 0 BDADLO CC(C)[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000747702184 585182313 /nfs/dbraw/zinc/18/23/13/585182313.db2.gz WUYXFEJVZFCHPQ-NSHDSACASA-N 1 2 229.320 1.154 20 0 BDADLO C[C@@H](C(=O)OCC[NH+]1CCOCC1)C(C)(C)C ZINC000747702241 585182320 /nfs/dbraw/zinc/18/23/20/585182320.db2.gz GOKAFEBOFBNOAH-NSHDSACASA-N 1 2 243.347 1.544 20 0 BDADLO CCC[C@@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000747693109 585182479 /nfs/dbraw/zinc/18/24/79/585182479.db2.gz GPVAIJXHPPYTHY-GFCCVEGCSA-N 1 2 243.347 1.688 20 0 BDADLO NC(=[NH+]OC[C@@H]1CCOC1)c1cccc(F)c1 ZINC000747833871 585184943 /nfs/dbraw/zinc/18/49/43/585184943.db2.gz AWXRYWBPOXAXGW-SECBINFHSA-N 1 2 238.262 1.709 20 0 BDADLO C/C(=C\C(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000748322177 585190527 /nfs/dbraw/zinc/19/05/27/585190527.db2.gz NABMJLGWBTUKLW-XBXARRHUSA-N 1 2 205.261 1.382 20 0 BDADLO CC(=CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000748322177 585190528 /nfs/dbraw/zinc/19/05/28/585190528.db2.gz NABMJLGWBTUKLW-XBXARRHUSA-N 1 2 205.261 1.382 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000749113870 585199815 /nfs/dbraw/zinc/19/98/15/585199815.db2.gz JCZBMUGGITVAPI-NEPJUHHUSA-N 1 2 217.268 1.749 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H]1c1ccccc1 ZINC000749113870 585199816 /nfs/dbraw/zinc/19/98/16/585199816.db2.gz JCZBMUGGITVAPI-NEPJUHHUSA-N 1 2 217.268 1.749 20 0 BDADLO Cc1ccc(NC(=O)c2c[nH]cn2)c(N(C)C)[nH+]1 ZINC000750531422 585216936 /nfs/dbraw/zinc/21/69/36/585216936.db2.gz XOXXDEHELDZRCR-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO Cc1nonc1C[N@@H+]1CCSC(C)(C)C1 ZINC000751492767 585231251 /nfs/dbraw/zinc/23/12/51/585231251.db2.gz GRJCGQPHVBMLOP-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nonc1C[N@H+]1CCSC(C)(C)C1 ZINC000751492767 585231252 /nfs/dbraw/zinc/23/12/52/585231252.db2.gz GRJCGQPHVBMLOP-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO Cl/C=C\C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000751775693 585236499 /nfs/dbraw/zinc/23/64/99/585236499.db2.gz FOSPTEGBCNQFNP-RJRFIUFISA-N 1 2 226.711 1.737 20 0 BDADLO CO[C@H]1CC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000751945917 585239449 /nfs/dbraw/zinc/23/94/49/585239449.db2.gz QUOVWHDXLSGBDU-QMMMGPOBSA-N 1 2 249.236 1.580 20 0 BDADLO CO[C@H]1CC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000751945917 585239450 /nfs/dbraw/zinc/23/94/50/585239450.db2.gz QUOVWHDXLSGBDU-QMMMGPOBSA-N 1 2 249.236 1.580 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cn1ncsc1=S ZINC000751946360 585239518 /nfs/dbraw/zinc/23/95/18/585239518.db2.gz GMXHYZONRQKNIK-MRVPVSSYSA-N 1 2 245.373 1.742 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cn1ncsc1=S ZINC000751946360 585239519 /nfs/dbraw/zinc/23/95/19/585239519.db2.gz GMXHYZONRQKNIK-MRVPVSSYSA-N 1 2 245.373 1.742 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC1(C)C ZINC000752511817 585247217 /nfs/dbraw/zinc/24/72/17/585247217.db2.gz CHESBLFKQZQNQS-VIFPVBQESA-N 1 2 208.261 1.509 20 0 BDADLO CO[C@@H]1C[N@H+](C/C(Cl)=C/Cl)C[C@@H]1OC ZINC000753808250 585269851 /nfs/dbraw/zinc/26/98/51/585269851.db2.gz ZVBDPRFWQRHPPS-KSKUCDALSA-N 1 2 240.130 1.651 20 0 BDADLO CO[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1OC ZINC000753808250 585269852 /nfs/dbraw/zinc/26/98/52/585269852.db2.gz ZVBDPRFWQRHPPS-KSKUCDALSA-N 1 2 240.130 1.651 20 0 BDADLO Cc1nc(N2CC[NH+](CCF)CC2)sc1C ZINC000754348477 585282779 /nfs/dbraw/zinc/28/27/79/585282779.db2.gz FXQVJSKOHDCLQV-UHFFFAOYSA-N 1 2 243.351 1.851 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000754687559 585289534 /nfs/dbraw/zinc/28/95/34/585289534.db2.gz PZCIUHCCSPOBLS-MNOVXSKESA-N 1 2 220.272 1.509 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1csc(C=O)c1 ZINC000754999905 585293082 /nfs/dbraw/zinc/29/30/82/585293082.db2.gz GXNJKOMUKUQTAH-UHFFFAOYSA-N 1 2 246.291 1.938 20 0 BDADLO COCC(C)(C)C[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000756127214 585314918 /nfs/dbraw/zinc/31/49/18/585314918.db2.gz JGIYTUWUYZHNJQ-NSHDSACASA-N 1 2 245.363 1.836 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000756616986 585321830 /nfs/dbraw/zinc/32/18/30/585321830.db2.gz ZGFIKYVKNJXZMQ-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000756616986 585321831 /nfs/dbraw/zinc/32/18/31/585321831.db2.gz ZGFIKYVKNJXZMQ-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC1(C)CC[C@H](C[NH2+][C@@]2(C)CCOC2=O)O1 ZINC000839606387 585331839 /nfs/dbraw/zinc/33/18/39/585331839.db2.gz PCNDTTRJFQWIKP-SKDRFNHKSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC(F)(F)CC2)[nH]1 ZINC000839587491 585332197 /nfs/dbraw/zinc/33/21/97/585332197.db2.gz DJLMQEGNOUWMJZ-SSDOTTSWSA-N 1 2 230.262 1.905 20 0 BDADLO FC[C@@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000839621606 585332382 /nfs/dbraw/zinc/33/23/82/585332382.db2.gz GYOBGFWZERTGGK-JGVFFNPUSA-N 1 2 242.121 1.851 20 0 BDADLO FC[C@@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000839621606 585332383 /nfs/dbraw/zinc/33/23/83/585332383.db2.gz GYOBGFWZERTGGK-JGVFFNPUSA-N 1 2 242.121 1.851 20 0 BDADLO CCC1(C)CC[NH+](Cn2ncn(C)c2=O)CC1 ZINC000758318810 585353687 /nfs/dbraw/zinc/35/36/87/585353687.db2.gz RAQDZPCATXZSEP-UHFFFAOYSA-N 1 2 238.335 1.051 20 0 BDADLO CCN(C)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000758763510 585359757 /nfs/dbraw/zinc/35/97/57/585359757.db2.gz KOPHQRZBUNWIEI-UHFFFAOYSA-N 1 2 249.314 1.206 20 0 BDADLO Cc1nc(CN2CC[NH+](CCF)CC2)cs1 ZINC000759328397 585367422 /nfs/dbraw/zinc/36/74/22/585367422.db2.gz RDAXRLCOTXVLCR-UHFFFAOYSA-N 1 2 243.351 1.539 20 0 BDADLO FCc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759558860 585375947 /nfs/dbraw/zinc/37/59/47/585375947.db2.gz YTPPWKPWSQLOSY-UHFFFAOYSA-N 1 2 246.289 1.833 20 0 BDADLO FCc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759558860 585375948 /nfs/dbraw/zinc/37/59/48/585375948.db2.gz YTPPWKPWSQLOSY-UHFFFAOYSA-N 1 2 246.289 1.833 20 0 BDADLO COc1ccccc1CO[NH+]=C(N)[C@H](C)OC ZINC000759636344 585377460 /nfs/dbraw/zinc/37/74/60/585377460.db2.gz JRBWSKQOWPYNFT-VIFPVBQESA-N 1 2 238.287 1.729 20 0 BDADLO CCC[C@@H]1C[N@H+](CCF)CCN1CCF ZINC000759718920 585379474 /nfs/dbraw/zinc/37/94/74/585379474.db2.gz QZGPMKDHEXEBHP-LLVKDONJSA-N 1 2 220.307 1.712 20 0 BDADLO CCC[C@@H]1C[N@@H+](CCF)CCN1CCF ZINC000759718920 585379475 /nfs/dbraw/zinc/37/94/75/585379475.db2.gz QZGPMKDHEXEBHP-LLVKDONJSA-N 1 2 220.307 1.712 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761102569 585409325 /nfs/dbraw/zinc/40/93/25/585409325.db2.gz ZQOWUYRKJMUJOQ-BBBLOLIVSA-N 1 2 237.303 1.761 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761102569 585409326 /nfs/dbraw/zinc/40/93/26/585409326.db2.gz ZQOWUYRKJMUJOQ-BBBLOLIVSA-N 1 2 237.303 1.761 20 0 BDADLO Cc1nc(N2CCC3(C2)OCCO3)c(C)c(C)[nH+]1 ZINC000761893841 585422402 /nfs/dbraw/zinc/42/24/02/585422402.db2.gz GTAXEHPLCAPQND-UHFFFAOYSA-N 1 2 249.314 1.355 20 0 BDADLO CCc1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000762198934 585428875 /nfs/dbraw/zinc/42/88/75/585428875.db2.gz JCZPJRSEBBMCQH-UHFFFAOYSA-N 1 2 241.254 1.880 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C1=COCC1 ZINC000762258828 585430332 /nfs/dbraw/zinc/43/03/32/585430332.db2.gz MDQIYFUVSIXAPS-UHFFFAOYSA-N 1 2 243.266 1.255 20 0 BDADLO CC1=CC[N@H+](CCNC(=O)C(F)(F)F)CC1 ZINC000762706980 585435551 /nfs/dbraw/zinc/43/55/51/585435551.db2.gz OBOXDMYQCPOYAT-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO CC1=CC[N@@H+](CCNC(=O)C(F)(F)F)CC1 ZINC000762706980 585435552 /nfs/dbraw/zinc/43/55/52/585435552.db2.gz OBOXDMYQCPOYAT-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)[C@H]2C)C1 ZINC000763208931 585444479 /nfs/dbraw/zinc/44/44/79/585444479.db2.gz CCLPCBDWFXKFDW-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)[C@H]2C)C1 ZINC000763208931 585444480 /nfs/dbraw/zinc/44/44/80/585444480.db2.gz CCLPCBDWFXKFDW-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000763272777 585445719 /nfs/dbraw/zinc/44/57/19/585445719.db2.gz UGEGBQUNHCPQNC-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO C[N@@H+]1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000763917946 585457216 /nfs/dbraw/zinc/45/72/16/585457216.db2.gz DCMKTUIPCRBEFU-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@H+]1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000763917946 585457217 /nfs/dbraw/zinc/45/72/17/585457217.db2.gz DCMKTUIPCRBEFU-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763917946 585457218 /nfs/dbraw/zinc/45/72/18/585457218.db2.gz DCMKTUIPCRBEFU-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763917946 585457219 /nfs/dbraw/zinc/45/72/19/585457219.db2.gz DCMKTUIPCRBEFU-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000764895953 585477463 /nfs/dbraw/zinc/47/74/63/585477463.db2.gz LWHNTUYUVUHZHZ-GXSJLCMTSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000764895953 585477464 /nfs/dbraw/zinc/47/74/64/585477464.db2.gz LWHNTUYUVUHZHZ-GXSJLCMTSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000805322057 585498863 /nfs/dbraw/zinc/49/88/63/585498863.db2.gz PJLDTXOFYAILHO-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCOC2(CCC2)C1 ZINC000766266692 585499218 /nfs/dbraw/zinc/49/92/18/585499218.db2.gz OKZKVMMJSDFIFQ-NYYWCZLTSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCOC2(CCC2)C1 ZINC000766266692 585499219 /nfs/dbraw/zinc/49/92/19/585499219.db2.gz OKZKVMMJSDFIFQ-NYYWCZLTSA-N 1 2 239.315 1.361 20 0 BDADLO O[C@@H](C1CC[NH+](CCF)CC1)C(F)(F)F ZINC000767017707 585512369 /nfs/dbraw/zinc/51/23/69/585512369.db2.gz BSLLTLRHQXHPRQ-QMMMGPOBSA-N 1 2 229.217 1.591 20 0 BDADLO CCOCC(=O)OCc1c[nH+]ccc1OC ZINC000805341834 585514386 /nfs/dbraw/zinc/51/43/86/585514386.db2.gz XIGOZDQCWCZHQI-UHFFFAOYSA-N 1 2 225.244 1.170 20 0 BDADLO CCOC(=O)C[N@H+](CCC(=O)C1CC1)C(C)C ZINC000767384973 585518684 /nfs/dbraw/zinc/51/86/84/585518684.db2.gz ZUOSKQLLJNQMKG-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(=O)C1CC1)C(C)C ZINC000767384973 585518685 /nfs/dbraw/zinc/51/86/85/585518685.db2.gz ZUOSKQLLJNQMKG-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO COCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767533069 585522090 /nfs/dbraw/zinc/52/20/90/585522090.db2.gz OYGBYWYSRHPSQP-UHFFFAOYSA-N 1 2 238.287 1.227 20 0 BDADLO C/C=C(\C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564531 585522629 /nfs/dbraw/zinc/52/26/29/585522629.db2.gz WMGUJFHLIHFPCB-CMSDODITSA-N 1 2 239.315 1.359 20 0 BDADLO C/C=C(\C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564531 585522630 /nfs/dbraw/zinc/52/26/30/585522630.db2.gz WMGUJFHLIHFPCB-CMSDODITSA-N 1 2 239.315 1.359 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(C)o1 ZINC000768301730 585535361 /nfs/dbraw/zinc/53/53/61/585535361.db2.gz JYZABRUDNCIZOW-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(C)o1 ZINC000768301730 585535362 /nfs/dbraw/zinc/53/53/62/585535362.db2.gz JYZABRUDNCIZOW-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CCC(=O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000768361944 585537050 /nfs/dbraw/zinc/53/70/50/585537050.db2.gz OBGPOCGGTFWTKY-UHFFFAOYSA-N 1 2 231.255 1.043 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCC1(C)COC1 ZINC000768941599 585546669 /nfs/dbraw/zinc/54/66/69/585546669.db2.gz NCLZHVQNSIMPQW-UHFFFAOYSA-N 1 2 230.308 1.336 20 0 BDADLO Cc1ccc(F)c(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000769110687 585549393 /nfs/dbraw/zinc/54/93/93/585549393.db2.gz YDZSULJCHXRRSR-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1ccc(F)c(C[N@H+]2CCCNC(=O)C2)c1 ZINC000769110687 585549394 /nfs/dbraw/zinc/54/93/94/585549394.db2.gz YDZSULJCHXRRSR-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H](F)c1ccccc1 ZINC000769355435 585554397 /nfs/dbraw/zinc/55/43/97/585554397.db2.gz OLFYFERUEIZIBZ-LBPRGKRZSA-N 1 2 247.273 1.710 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H](F)c1ccccc1 ZINC000769575658 585559504 /nfs/dbraw/zinc/55/95/04/585559504.db2.gz HQBYLXGAPLMDGH-LLVKDONJSA-N 1 2 233.246 1.737 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000769617827 585560721 /nfs/dbraw/zinc/56/07/21/585560721.db2.gz VEOOQEUORXVITN-LPEHRKFASA-N 1 2 219.288 1.729 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cc[nH]n1 ZINC000805397022 585569315 /nfs/dbraw/zinc/56/93/15/585569315.db2.gz TXJGDSAGRWFIGS-UHFFFAOYSA-N 1 2 233.227 1.170 20 0 BDADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)CO ZINC000770264414 585572462 /nfs/dbraw/zinc/57/24/62/585572462.db2.gz AIAPTSAIIHRSNK-QMMMGPOBSA-N 1 2 247.697 1.264 20 0 BDADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)CO ZINC000770264414 585572463 /nfs/dbraw/zinc/57/24/63/585572463.db2.gz AIAPTSAIIHRSNK-QMMMGPOBSA-N 1 2 247.697 1.264 20 0 BDADLO O=C(NC1=NCCS1)c1cccc2[nH+]ccn21 ZINC000770645959 585579071 /nfs/dbraw/zinc/57/90/71/585579071.db2.gz WAWQSHJAPALPOY-UHFFFAOYSA-N 1 2 246.295 1.167 20 0 BDADLO CC(C)OC[C@@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000770704640 585580224 /nfs/dbraw/zinc/58/02/24/585580224.db2.gz GSEYAJSBYGUBSA-BYCRGOAPSA-N 1 2 233.739 1.865 20 0 BDADLO CC(C)OC[C@@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000770704640 585580225 /nfs/dbraw/zinc/58/02/25/585580225.db2.gz GSEYAJSBYGUBSA-BYCRGOAPSA-N 1 2 233.739 1.865 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C[C@@H](C)OC ZINC000805431973 585592520 /nfs/dbraw/zinc/59/25/20/585592520.db2.gz HQGLGAIPXXXFEX-SECBINFHSA-N 1 2 239.271 1.558 20 0 BDADLO O=C(C[NH2+][C@@H](CO)C1CC1)OCc1ccccc1 ZINC000771803274 585600583 /nfs/dbraw/zinc/60/05/83/585600583.db2.gz BAKPJEYODDFZBG-ZDUSSCGKSA-N 1 2 249.310 1.090 20 0 BDADLO CCc1cc(C(=O)OCCn2cc[nH+]c2)n[nH]1 ZINC000771903824 585604104 /nfs/dbraw/zinc/60/41/04/585604104.db2.gz IDEAAMPVLWCOSG-UHFFFAOYSA-N 1 2 234.259 1.026 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1(F)CCCC1 ZINC000771923601 585604558 /nfs/dbraw/zinc/60/45/58/585604558.db2.gz ZQMIDLKEWHNBFQ-UHFFFAOYSA-N 1 2 239.294 1.661 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)c(C)n1 ZINC000771921203 585604739 /nfs/dbraw/zinc/60/47/39/585604739.db2.gz BDHQEXRADJNUJE-UHFFFAOYSA-N 1 2 245.282 1.752 20 0 BDADLO CC(C)c1cc(C(=O)OCCn2cc[nH+]c2)on1 ZINC000771958325 585605466 /nfs/dbraw/zinc/60/54/66/585605466.db2.gz CUESYWLDUMEAGS-UHFFFAOYSA-N 1 2 249.270 1.852 20 0 BDADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)C(F)(F)F ZINC000771985219 585605958 /nfs/dbraw/zinc/60/59/58/585605958.db2.gz LAJMMUYEGNMXHD-ZETCQYMHSA-N 1 2 236.193 1.625 20 0 BDADLO Cc1nc(C)c(C(=O)OCCn2cc[nH+]c2)o1 ZINC000771983185 585606203 /nfs/dbraw/zinc/60/62/03/585606203.db2.gz DBKYJONULLCLIJ-UHFFFAOYSA-N 1 2 235.243 1.345 20 0 BDADLO Cc1ccc(CC(=O)OCCn2cc[nH+]c2)o1 ZINC000772024649 585607141 /nfs/dbraw/zinc/60/71/41/585607141.db2.gz RTLVZWOOCKIXRR-UHFFFAOYSA-N 1 2 234.255 1.570 20 0 BDADLO COCC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000772036371 585607569 /nfs/dbraw/zinc/60/75/69/585607569.db2.gz YFYSBFFBBPGUKZ-UHFFFAOYSA-N 1 2 226.276 1.099 20 0 BDADLO CON(C)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000772578556 585618189 /nfs/dbraw/zinc/61/81/89/585618189.db2.gz LZGUIOGXQAQWFE-UHFFFAOYSA-N 1 2 238.335 1.679 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccoc1)C2 ZINC000772601458 585619017 /nfs/dbraw/zinc/61/90/17/585619017.db2.gz OEIZGXBONWYCEA-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO C/C=C(/C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772813493 585624823 /nfs/dbraw/zinc/62/48/23/585624823.db2.gz OFJVEXDNVVBLKG-CHDHTGKKSA-N 1 2 219.288 1.349 20 0 BDADLO CC=C(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772813493 585624824 /nfs/dbraw/zinc/62/48/24/585624824.db2.gz OFJVEXDNVVBLKG-CHDHTGKKSA-N 1 2 219.288 1.349 20 0 BDADLO c1cc(SCC[NH+]2CCOCC2)ccn1 ZINC000772856412 585625472 /nfs/dbraw/zinc/62/54/72/585625472.db2.gz NPHCWFDUHTZSCT-UHFFFAOYSA-N 1 2 224.329 1.506 20 0 BDADLO CC[C@@H](C)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805473562 585627549 /nfs/dbraw/zinc/62/75/49/585627549.db2.gz HNEOSQRJOSVXOE-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H](C)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805473562 585627550 /nfs/dbraw/zinc/62/75/50/585627550.db2.gz HNEOSQRJOSVXOE-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO CSCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000773524862 585639353 /nfs/dbraw/zinc/63/93/53/585639353.db2.gz XTZCJTXIGQMIPA-SECBINFHSA-N 1 2 217.334 1.377 20 0 BDADLO CSCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000773524862 585639354 /nfs/dbraw/zinc/63/93/54/585639354.db2.gz XTZCJTXIGQMIPA-SECBINFHSA-N 1 2 217.334 1.377 20 0 BDADLO Cc1ccc(Cn2nnnc2C(C)C)c(C)[nH+]1 ZINC000774754212 585665161 /nfs/dbraw/zinc/66/51/61/585665161.db2.gz XTQSIPNAURJUQI-UHFFFAOYSA-N 1 2 231.303 1.857 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774905334 585669173 /nfs/dbraw/zinc/66/91/73/585669173.db2.gz NDXRDMMFNANWPP-AZKPJATDSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H]1CCC=CO1 ZINC000774905334 585669174 /nfs/dbraw/zinc/66/91/74/585669174.db2.gz NDXRDMMFNANWPP-AZKPJATDSA-N 1 2 243.372 1.520 20 0 BDADLO COc1cc[nH+]cc1COC(=O)Cc1ccon1 ZINC000805541369 585675135 /nfs/dbraw/zinc/67/51/35/585675135.db2.gz DZOIPPYWLKYZFW-UHFFFAOYSA-N 1 2 248.238 1.364 20 0 BDADLO Fc1c[nH+]ccc1NCCOc1cccnc1 ZINC000775484386 585678441 /nfs/dbraw/zinc/67/84/41/585678441.db2.gz TZRPUQBTLUMUFQ-UHFFFAOYSA-N 1 2 233.246 1.529 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000776426020 585698616 /nfs/dbraw/zinc/69/86/16/585698616.db2.gz HAOFLSIWTWDXTC-WDEREUQCSA-N 1 2 222.288 1.863 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000776526051 585700235 /nfs/dbraw/zinc/70/02/35/585700235.db2.gz VICLDNQVBINKPB-ZJUUUORDSA-N 1 2 222.288 1.900 20 0 BDADLO O=C(Nc1cccnn1)c1cccc2[nH+]ccn21 ZINC000776938067 585707002 /nfs/dbraw/zinc/70/70/02/585707002.db2.gz ZMGHUHHDKAWAAY-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(Cl)Cl)CC[N@@H+]1C ZINC000777523193 585714061 /nfs/dbraw/zinc/71/40/61/585714061.db2.gz IULKASIELWOIGX-SSDOTTSWSA-N 1 2 239.146 1.343 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(Cl)Cl)CC[N@H+]1C ZINC000777523193 585714062 /nfs/dbraw/zinc/71/40/62/585714062.db2.gz IULKASIELWOIGX-SSDOTTSWSA-N 1 2 239.146 1.343 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC=CO1 ZINC000777840135 585721018 /nfs/dbraw/zinc/72/10/18/585721018.db2.gz VJOZSBHXYRGUHB-SNVBAGLBSA-N 1 2 235.287 1.071 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC=CCC2)C1=O ZINC000778577841 585737764 /nfs/dbraw/zinc/73/77/64/585737764.db2.gz ZJXHGUFYFGOUHA-ZDUSSCGKSA-N 1 2 236.315 1.381 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC=CCC2)C1=O ZINC000778577841 585737765 /nfs/dbraw/zinc/73/77/65/585737765.db2.gz ZJXHGUFYFGOUHA-ZDUSSCGKSA-N 1 2 236.315 1.381 20 0 BDADLO Fc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccn1 ZINC000859259181 589025008 /nfs/dbraw/zinc/02/50/08/589025008.db2.gz DSSYSVAOHMYCLO-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccn1 ZINC000859259181 589025010 /nfs/dbraw/zinc/02/50/10/589025010.db2.gz DSSYSVAOHMYCLO-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO C[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@H]1O ZINC000779200108 585747096 /nfs/dbraw/zinc/74/70/96/585747096.db2.gz UTPPEQZWPLKDKG-BXKDBHETSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@H]1O ZINC000779200108 585747097 /nfs/dbraw/zinc/74/70/97/585747097.db2.gz UTPPEQZWPLKDKG-BXKDBHETSA-N 1 2 236.315 1.755 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781355044 585795119 /nfs/dbraw/zinc/79/51/19/585795119.db2.gz WETSFFXLOYVZGW-QMMMGPOBSA-N 1 2 247.245 1.582 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781355044 585795120 /nfs/dbraw/zinc/79/51/20/585795120.db2.gz WETSFFXLOYVZGW-QMMMGPOBSA-N 1 2 247.245 1.582 20 0 BDADLO FC(F)O[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000781531558 585798196 /nfs/dbraw/zinc/79/81/96/585798196.db2.gz HJQSYDAJMQEOAW-SNVBAGLBSA-N 1 2 243.257 1.680 20 0 BDADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000781531558 585798197 /nfs/dbraw/zinc/79/81/97/585798197.db2.gz HJQSYDAJMQEOAW-SNVBAGLBSA-N 1 2 243.257 1.680 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000782176898 585809886 /nfs/dbraw/zinc/80/98/86/585809886.db2.gz PNOWZJGBRSUBSA-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000782176898 585809887 /nfs/dbraw/zinc/80/98/87/585809887.db2.gz PNOWZJGBRSUBSA-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO Cc1oncc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000782469607 585818789 /nfs/dbraw/zinc/81/87/89/585818789.db2.gz JKJIUEDTIKSWGR-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1oncc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000782469607 585818790 /nfs/dbraw/zinc/81/87/90/585818790.db2.gz JKJIUEDTIKSWGR-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO O=C(C[C@@H]1CCCO1)OCCCn1cc[nH+]c1 ZINC000782920391 585826305 /nfs/dbraw/zinc/82/63/05/585826305.db2.gz PUDKXZVIEXIHEO-NSHDSACASA-N 1 2 238.287 1.386 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000783006953 585826748 /nfs/dbraw/zinc/82/67/48/585826748.db2.gz VCIHWUVEBVUVSZ-ZETCQYMHSA-N 1 2 236.250 1.763 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCO[C@@H](C)C1 ZINC000783025524 585827149 /nfs/dbraw/zinc/82/71/49/585827149.db2.gz CDWXUTYOFGASNF-QWRGUYRKSA-N 1 2 244.335 1.725 20 0 BDADLO CC[C@@H](OC)C(=O)OCCCn1cc[nH+]c1 ZINC000783266802 585832765 /nfs/dbraw/zinc/83/27/65/585832765.db2.gz WRPYVNUTUKFEMX-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCCCS1 ZINC000783392114 585834214 /nfs/dbraw/zinc/83/42/14/585834214.db2.gz LVGBZMYULRJVCK-SNVBAGLBSA-N 1 2 240.328 1.749 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)o1 ZINC000783732228 585841193 /nfs/dbraw/zinc/84/11/93/585841193.db2.gz COWFZZGFPZRNIP-SNVBAGLBSA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)o1 ZINC000783732228 585841194 /nfs/dbraw/zinc/84/11/94/585841194.db2.gz COWFZZGFPZRNIP-SNVBAGLBSA-N 1 2 236.315 1.505 20 0 BDADLO Cc1ncccc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000783730231 585841203 /nfs/dbraw/zinc/84/12/03/585841203.db2.gz SOLBFIBGXWIZPK-SNVBAGLBSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000783730231 585841204 /nfs/dbraw/zinc/84/12/04/585841204.db2.gz SOLBFIBGXWIZPK-SNVBAGLBSA-N 1 2 233.315 1.053 20 0 BDADLO O=C(/C=C/C1CC1)OCCCn1cc[nH+]c1 ZINC000783910136 585845851 /nfs/dbraw/zinc/84/58/51/585845851.db2.gz LOJZUUGNTCDBDX-SNAWJCMRSA-N 1 2 220.272 1.783 20 0 BDADLO Cc1ccc(CC(=O)OCCCn2cc[nH+]c2)o1 ZINC000784367045 585857697 /nfs/dbraw/zinc/85/76/97/585857697.db2.gz KMXCORHWMCOTTI-UHFFFAOYSA-N 1 2 248.282 1.961 20 0 BDADLO CC(C)[C@H](F)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000784414621 585859226 /nfs/dbraw/zinc/85/92/26/585859226.db2.gz RKCFYCOMFLFGFM-QWRGUYRKSA-N 1 2 241.310 1.630 20 0 BDADLO CS/C=C\C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784913970 585868444 /nfs/dbraw/zinc/86/84/44/585868444.db2.gz JYEPQUGIKNTELV-WPKZPIIRSA-N 1 2 245.344 1.127 20 0 BDADLO C/C=C/C=C\C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784920361 585868470 /nfs/dbraw/zinc/86/84/70/585868470.db2.gz GSDQNDDTWZFHAQ-WBOWPWJFSA-N 1 2 239.315 1.383 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCCC1(O)CC1 ZINC000785520667 585875191 /nfs/dbraw/zinc/87/51/91/585875191.db2.gz YTXLTLVAKDRQFV-UHFFFAOYSA-N 1 2 234.299 1.757 20 0 BDADLO CCC(=O)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785744383 585879406 /nfs/dbraw/zinc/87/94/06/585879406.db2.gz UTBRZYSJJVDRMK-UWVGGRQHSA-N 1 2 227.304 1.382 20 0 BDADLO Cc1cnccc1C(=O)OCCn1cc[nH+]c1 ZINC000786045291 585886539 /nfs/dbraw/zinc/88/65/39/585886539.db2.gz JYFZCEQGFKAOFN-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO CC(C)OCC(N)=[NH+]OCc1ccc(F)cn1 ZINC000786743113 585897007 /nfs/dbraw/zinc/89/70/07/585897007.db2.gz XDGVLJFGWVEJCF-UHFFFAOYSA-N 1 2 241.266 1.644 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC[C@H]1CCCO1 ZINC000786741781 585897104 /nfs/dbraw/zinc/89/71/04/585897104.db2.gz HDNMLBLJRMXARL-SNVBAGLBSA-N 1 2 230.308 1.479 20 0 BDADLO CCc1cc(N2CC[C@@H](C(=O)OC)[C@H]2C)nc[nH+]1 ZINC000786815317 585897651 /nfs/dbraw/zinc/89/76/51/585897651.db2.gz RILQGSWSMODLRV-MWLCHTKSSA-N 1 2 249.314 1.427 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCOCC1 ZINC000787123249 585901786 /nfs/dbraw/zinc/90/17/86/585901786.db2.gz IFZKKFQMZCHNNQ-NSHDSACASA-N 1 2 238.287 1.243 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)C(F)F ZINC000787387873 585908410 /nfs/dbraw/zinc/90/84/10/585908410.db2.gz OEMHGZSVXUCBFP-UHFFFAOYSA-N 1 2 231.246 1.420 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000787472977 585909782 /nfs/dbraw/zinc/90/97/82/585909782.db2.gz HQADGWFGDVTRRR-SSDOTTSWSA-N 1 2 229.230 1.001 20 0 BDADLO Cn1cccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787561770 585911839 /nfs/dbraw/zinc/91/18/39/585911839.db2.gz BSJANRLCLAPQQJ-UHFFFAOYSA-N 1 2 231.255 1.359 20 0 BDADLO Cc1ccc(COC(=O)Cc2cc[nH]n2)c(C)[nH+]1 ZINC000787783007 585916051 /nfs/dbraw/zinc/91/60/51/585916051.db2.gz IXAXARQOPLTTSR-UHFFFAOYSA-N 1 2 245.282 1.707 20 0 BDADLO NC(=[NH+]OCC[C@H]1CCCO1)[C@H]1CCCO1 ZINC000789607796 585944969 /nfs/dbraw/zinc/94/49/69/585944969.db2.gz IDVLBIULHUASQJ-NXEZZACHSA-N 1 2 228.292 1.233 20 0 BDADLO Cc1cnc([C@H](C)O[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000789605051 585945901 /nfs/dbraw/zinc/94/59/01/585945901.db2.gz DNXSJROLLSZMFF-DTWKUNHWSA-N 1 2 239.275 1.721 20 0 BDADLO CC(C)OCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789607719 585946069 /nfs/dbraw/zinc/94/60/69/585946069.db2.gz IBPIMFSZUHEGKK-SECBINFHSA-N 1 2 216.281 1.089 20 0 BDADLO C/C=C(\CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000789766064 585949446 /nfs/dbraw/zinc/94/94/46/585949446.db2.gz TXCJQDKLJGYAOO-XCVCLJGOSA-N 1 2 219.288 1.623 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000789790381 585950024 /nfs/dbraw/zinc/95/00/24/585950024.db2.gz DGQBRGZVTDBNJY-VIFPVBQESA-N 1 2 228.361 1.045 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000789790381 585950025 /nfs/dbraw/zinc/95/00/25/585950025.db2.gz DGQBRGZVTDBNJY-VIFPVBQESA-N 1 2 228.361 1.045 20 0 BDADLO CC(C)=CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790136199 585958543 /nfs/dbraw/zinc/95/85/43/585958543.db2.gz ORKTVTRUVSNRCL-LBPRGKRZSA-N 1 2 240.347 1.132 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000790430134 585964535 /nfs/dbraw/zinc/96/45/35/585964535.db2.gz CJIJYFUDUNIADC-JTQLQIEISA-N 1 2 229.320 1.106 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000790430134 585964536 /nfs/dbraw/zinc/96/45/36/585964536.db2.gz CJIJYFUDUNIADC-JTQLQIEISA-N 1 2 229.320 1.106 20 0 BDADLO Cc1c(C[N@H+](C)C/C=C\Cl)cnn1C ZINC000790449428 585964950 /nfs/dbraw/zinc/96/49/50/585964950.db2.gz BNBKUBZCKKREFR-PLNGDYQASA-N 1 2 213.712 1.913 20 0 BDADLO Cc1c(C[N@@H+](C)C/C=C\Cl)cnn1C ZINC000790449428 585964951 /nfs/dbraw/zinc/96/49/51/585964951.db2.gz BNBKUBZCKKREFR-PLNGDYQASA-N 1 2 213.712 1.913 20 0 BDADLO O=C(NCCCCCO)c1cccc2[nH+]ccn21 ZINC000791061724 585973520 /nfs/dbraw/zinc/97/35/20/585973520.db2.gz IUEIRJUKZBWIIG-UHFFFAOYSA-N 1 2 247.298 1.227 20 0 BDADLO COc1ccccc1OC(=O)CCc1[nH]cc[nH+]1 ZINC000791299553 585976530 /nfs/dbraw/zinc/97/65/30/585976530.db2.gz AYSRYSXBHBJWPO-UHFFFAOYSA-N 1 2 246.266 1.957 20 0 BDADLO C[C@@H]1OCC[C@@]12C[N@H+](C/C=C\Cl)CCO2 ZINC000791585552 585984835 /nfs/dbraw/zinc/98/48/35/585984835.db2.gz MGOCIUZKGSWAQY-TWLCVDABSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@@H]1OCC[C@@]12C[N@@H+](C/C=C\Cl)CCO2 ZINC000791585552 585984836 /nfs/dbraw/zinc/98/48/36/585984836.db2.gz MGOCIUZKGSWAQY-TWLCVDABSA-N 1 2 231.723 1.619 20 0 BDADLO CO[C@H](C)CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792118346 585996068 /nfs/dbraw/zinc/99/60/68/585996068.db2.gz DCZZZAVUEZKDOH-SECBINFHSA-N 1 2 238.287 1.522 20 0 BDADLO Cc1ccncc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792201981 585997861 /nfs/dbraw/zinc/99/78/61/585997861.db2.gz CJGGYFAZGMCXDI-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)c1cccc2[nH+]ccn21 ZINC000792526886 586001538 /nfs/dbraw/zinc/00/15/38/586001538.db2.gz BKFMIGCBVJDKSV-AOOOYVTPSA-N 1 2 229.283 1.957 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793237121 586014845 /nfs/dbraw/zinc/01/48/45/586014845.db2.gz FESXIVZEXPOCMA-NEPJUHHUSA-N 1 2 236.315 1.798 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccnc(F)c1 ZINC000793251747 586014996 /nfs/dbraw/zinc/01/49/96/586014996.db2.gz SNSQZHIVIWHDNM-UHFFFAOYSA-N 1 2 249.245 1.354 20 0 BDADLO CC(C)/C=C/C(=O)OCCc1c[nH+]cn1C ZINC000793253919 586015118 /nfs/dbraw/zinc/01/51/18/586015118.db2.gz UYDLTEBLGNAUQR-SNAWJCMRSA-N 1 2 222.288 1.718 20 0 BDADLO Cc1ncoc1C(=O)OCCc1c[nH+]cn1C ZINC000793248762 586015155 /nfs/dbraw/zinc/01/51/55/586015155.db2.gz DKGBAIUWOQDHFV-UHFFFAOYSA-N 1 2 235.243 1.116 20 0 BDADLO FC1(F)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000793361062 586017447 /nfs/dbraw/zinc/01/74/47/586017447.db2.gz CGHCIMOKFKDHTB-UHFFFAOYSA-N 1 2 201.220 1.641 20 0 BDADLO O=C(C[C@@H]1CCCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000793508360 586021019 /nfs/dbraw/zinc/02/10/19/586021019.db2.gz CWODMUBBQBIYHM-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CCCOC1 ZINC000793507918 586021145 /nfs/dbraw/zinc/02/11/45/586021145.db2.gz HVAZMMBLRZIARK-LLVKDONJSA-N 1 2 248.326 1.821 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCCOC1 ZINC000793601000 586023962 /nfs/dbraw/zinc/02/39/62/586023962.db2.gz WOUIIKUEWCDAIA-SNVBAGLBSA-N 1 2 237.303 1.151 20 0 BDADLO CC[C@H]1CC[N@@H+]1CN1C[C@H](C(F)F)CC1=O ZINC000793808487 586026609 /nfs/dbraw/zinc/02/66/09/586026609.db2.gz HBKWZBZJLDVVQR-BDAKNGLRSA-N 1 2 232.274 1.542 20 0 BDADLO CC[C@H]1CC[N@H+]1CN1C[C@H](C(F)F)CC1=O ZINC000793808487 586026610 /nfs/dbraw/zinc/02/66/10/586026610.db2.gz HBKWZBZJLDVVQR-BDAKNGLRSA-N 1 2 232.274 1.542 20 0 BDADLO Cc1cc(CO[NH+]=C(N)COC(C)C)ncn1 ZINC000793834567 586027630 /nfs/dbraw/zinc/02/76/30/586027630.db2.gz FYRVRKWXHLHAOP-UHFFFAOYSA-N 1 2 238.291 1.208 20 0 BDADLO CC(C)c1nc(CN2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000794448302 586039935 /nfs/dbraw/zinc/03/99/35/586039935.db2.gz HQEBLOIZCDURIQ-JTQLQIEISA-N 1 2 237.351 1.064 20 0 BDADLO CC(C)c1nc(CN2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000794448302 586039936 /nfs/dbraw/zinc/03/99/36/586039936.db2.gz HQEBLOIZCDURIQ-JTQLQIEISA-N 1 2 237.351 1.064 20 0 BDADLO NC(COc1ccccc1)=[NH+]O[C@H]1CCOC1 ZINC000794518439 586041378 /nfs/dbraw/zinc/04/13/78/586041378.db2.gz KQQRXZPLINRRBN-NSHDSACASA-N 1 2 236.271 1.353 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCCO1 ZINC000794521441 586041604 /nfs/dbraw/zinc/04/16/04/586041604.db2.gz CFUYEMMEDGFTNS-MNOVXSKESA-N 1 2 244.335 1.725 20 0 BDADLO CC[C@@H]1CC(=O)N(C[NH+]2CCC(F)(F)CC2)C1 ZINC000794688806 586047071 /nfs/dbraw/zinc/04/70/71/586047071.db2.gz SBSBBXNCARQKBS-SNVBAGLBSA-N 1 2 246.301 1.934 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1F)c1nccn1C ZINC000794833575 586049892 /nfs/dbraw/zinc/04/98/92/586049892.db2.gz GRPSINMLIUEODH-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCOC1CC(CO[NH+]=C(N)[C@@H]2CCCO2)C1 ZINC000795228745 586072739 /nfs/dbraw/zinc/07/27/39/586072739.db2.gz AZLYAPWNQUYQPL-ILDUYXDCSA-N 1 2 242.319 1.479 20 0 BDADLO CCO[C@@H](C[NH2+][C@]1(C)CCOC1=O)C1CC1 ZINC000859309065 589029540 /nfs/dbraw/zinc/02/95/40/589029540.db2.gz CAAQLGWFOVINJJ-CMPLNLGQSA-N 1 2 227.304 1.097 20 0 BDADLO C[N@H+](CCc1ccccn1)[C@H]1CC(C)(C)OC1=O ZINC000795683228 586091043 /nfs/dbraw/zinc/09/10/43/586091043.db2.gz LKECWBWLXWCQJU-LBPRGKRZSA-N 1 2 248.326 1.650 20 0 BDADLO C[N@@H+](CCc1ccccn1)[C@H]1CC(C)(C)OC1=O ZINC000795683228 586091044 /nfs/dbraw/zinc/09/10/44/586091044.db2.gz LKECWBWLXWCQJU-LBPRGKRZSA-N 1 2 248.326 1.650 20 0 BDADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cnc[nH]1 ZINC000796449695 586103121 /nfs/dbraw/zinc/10/31/21/586103121.db2.gz KNNLYJJDBURVDG-GFCCVEGCSA-N 1 2 247.298 1.242 20 0 BDADLO CS(=O)(=O)CCC[NH+]1CCC(F)(F)CC1 ZINC000796539526 586106299 /nfs/dbraw/zinc/10/62/99/586106299.db2.gz AYVOXZICCJYTPG-UHFFFAOYSA-N 1 2 241.303 1.152 20 0 BDADLO FC1(F)CC[NH+](Cc2ccon2)CC1 ZINC000796548138 586106969 /nfs/dbraw/zinc/10/69/69/586106969.db2.gz AROFVYAXKDRTBX-UHFFFAOYSA-N 1 2 202.204 1.906 20 0 BDADLO O[C@@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)c1ccco1 ZINC000796684314 586110100 /nfs/dbraw/zinc/11/01/00/586110100.db2.gz SLOJDGAEAKXSKU-PWSUYJOCSA-N 1 2 247.298 1.703 20 0 BDADLO CC1=CCC[N@H+](Cn2ccsc2=O)C1 ZINC000797822153 586132290 /nfs/dbraw/zinc/13/22/90/586132290.db2.gz MPTUKEZAHGUXQT-UHFFFAOYSA-N 1 2 210.302 1.519 20 0 BDADLO CC1=CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000797822153 586132291 /nfs/dbraw/zinc/13/22/91/586132291.db2.gz MPTUKEZAHGUXQT-UHFFFAOYSA-N 1 2 210.302 1.519 20 0 BDADLO CC(=O)CCCCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798845371 586151365 /nfs/dbraw/zinc/15/13/65/586151365.db2.gz LDGKNVXIUPCWRV-LBPRGKRZSA-N 1 2 243.347 1.875 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798964110 586154258 /nfs/dbraw/zinc/15/42/58/586154258.db2.gz HWOOIARICCDGOR-SNVBAGLBSA-N 1 2 246.339 1.923 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798964110 586154259 /nfs/dbraw/zinc/15/42/59/586154259.db2.gz HWOOIARICCDGOR-SNVBAGLBSA-N 1 2 246.339 1.923 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCF ZINC000799183262 586165826 /nfs/dbraw/zinc/16/58/26/586165826.db2.gz HTIHPKSCRJDTNG-NSHDSACASA-N 1 2 211.284 1.917 20 0 BDADLO Cn1nccc1[C@@H]1CCCC[N@H+]1CCF ZINC000799183262 586165828 /nfs/dbraw/zinc/16/58/28/586165828.db2.gz HTIHPKSCRJDTNG-NSHDSACASA-N 1 2 211.284 1.917 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nonc2C)CCCO1 ZINC000799200152 586167740 /nfs/dbraw/zinc/16/77/40/586167740.db2.gz AXCPSQPIVZCLIP-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nonc2C)CCCO1 ZINC000799200152 586167741 /nfs/dbraw/zinc/16/77/41/586167741.db2.gz AXCPSQPIVZCLIP-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC(C)CC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000799305190 586170143 /nfs/dbraw/zinc/17/01/43/586170143.db2.gz QFWHTHZUIGXRJV-UHFFFAOYSA-N 1 2 237.351 1.468 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000800496219 586223670 /nfs/dbraw/zinc/22/36/70/586223670.db2.gz UEUMRFNZDCHZEB-JTQLQIEISA-N 1 2 239.319 1.502 20 0 BDADLO COC(=O)/C(=C/c1cn(C)c[nH+]1)c1ccncc1 ZINC000800794206 586228804 /nfs/dbraw/zinc/22/88/04/586228804.db2.gz YTQGXJWLDNLQIO-KPKJPENVSA-N 1 2 243.266 1.529 20 0 BDADLO COC(=O)c1ccc(/C=C/c2cn(C)c[nH+]2)nc1 ZINC000800792595 586229141 /nfs/dbraw/zinc/22/91/41/586229141.db2.gz BSMAMQBUBMOQEI-AATRIKPKSA-N 1 2 243.266 1.772 20 0 BDADLO Cc1cc(C)nc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000801092669 586242001 /nfs/dbraw/zinc/24/20/01/586242001.db2.gz YLMCLHIYFAZFRJ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC(=O)NCC[N@H+](CCF)Cc1ccsc1 ZINC000801558006 586261932 /nfs/dbraw/zinc/26/19/32/586261932.db2.gz KYHZPEMGDPYIQJ-UHFFFAOYSA-N 1 2 244.335 1.656 20 0 BDADLO CC(=O)NCC[N@@H+](CCF)Cc1ccsc1 ZINC000801558006 586261934 /nfs/dbraw/zinc/26/19/34/586261934.db2.gz KYHZPEMGDPYIQJ-UHFFFAOYSA-N 1 2 244.335 1.656 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCSC(C)(C)C ZINC000801917978 586276231 /nfs/dbraw/zinc/27/62/31/586276231.db2.gz UJZCSBHCOOSECK-VIFPVBQESA-N 1 2 230.377 1.338 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCSC(C)(C)C ZINC000801917978 586276233 /nfs/dbraw/zinc/27/62/33/586276233.db2.gz UJZCSBHCOOSECK-VIFPVBQESA-N 1 2 230.377 1.338 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1coc(C2CC2)n1 ZINC000802098423 586289122 /nfs/dbraw/zinc/28/91/22/586289122.db2.gz PPCTVLKHCMYQGZ-UHFFFAOYSA-N 1 2 247.254 1.643 20 0 BDADLO CCc1cncc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000802227862 586296759 /nfs/dbraw/zinc/29/67/59/586296759.db2.gz CUXSHECIKNFDKY-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCCO1 ZINC000802243489 586298710 /nfs/dbraw/zinc/29/87/10/586298710.db2.gz GOEDPFTUXLAIJX-ZYHUDNBSSA-N 1 2 245.294 1.143 20 0 BDADLO C[C@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCCO1 ZINC000802243489 586298713 /nfs/dbraw/zinc/29/87/13/586298713.db2.gz GOEDPFTUXLAIJX-ZYHUDNBSSA-N 1 2 245.294 1.143 20 0 BDADLO CS[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242731 586298877 /nfs/dbraw/zinc/29/88/77/586298877.db2.gz PJVWTHSKNCPKCV-BDAKNGLRSA-N 1 2 235.324 1.325 20 0 BDADLO CS[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242731 586298878 /nfs/dbraw/zinc/29/88/78/586298878.db2.gz PJVWTHSKNCPKCV-BDAKNGLRSA-N 1 2 235.324 1.325 20 0 BDADLO O=C1[C@@H]2CCC[C@@H]2N1C[NH+]1CCSCC1 ZINC000839964467 586304385 /nfs/dbraw/zinc/30/43/85/586304385.db2.gz AYBGXQDSWBDFDO-ZJUUUORDSA-N 1 2 226.345 1.004 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000802653560 586307616 /nfs/dbraw/zinc/30/76/16/586307616.db2.gz YCWONNNWPJBZBU-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000802653560 586307618 /nfs/dbraw/zinc/30/76/18/586307618.db2.gz YCWONNNWPJBZBU-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO CCC[C@H](C)C(=O)OC1C[NH+](CCOCC)C1 ZINC000802774385 586313133 /nfs/dbraw/zinc/31/31/33/586313133.db2.gz TYRLJOZSMJGVQE-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CCC2CC2)C1 ZINC000802774075 586313322 /nfs/dbraw/zinc/31/33/22/586313322.db2.gz QKRRSSFBZZGQFY-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1CCN(C[NH+]2Cc3ccccc3C2)C1=O ZINC000839990586 586333139 /nfs/dbraw/zinc/33/31/39/586333139.db2.gz IFLUKFJDUKYWMN-LLVKDONJSA-N 1 2 230.311 1.828 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840000444 586352736 /nfs/dbraw/zinc/35/27/36/586352736.db2.gz PXYZLZMZXHPPRT-UTUOFQBUSA-N 1 2 238.331 1.066 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840000444 586352739 /nfs/dbraw/zinc/35/27/39/586352739.db2.gz PXYZLZMZXHPPRT-UTUOFQBUSA-N 1 2 238.331 1.066 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803696991 586369709 /nfs/dbraw/zinc/36/97/09/586369709.db2.gz BGSBWPLYYQWQPB-KOLCDFICSA-N 1 2 229.320 1.483 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804334242 586391094 /nfs/dbraw/zinc/39/10/94/586391094.db2.gz BSTXLXXQZBHGMA-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO C/C(=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804334913 586391747 /nfs/dbraw/zinc/39/17/47/586391747.db2.gz MQJVIZIOOXKQEE-XTOZHPGHSA-N 1 2 245.326 1.670 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000804337500 586392284 /nfs/dbraw/zinc/39/22/84/586392284.db2.gz YNJOMOWOZRJJBS-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(N)nc1 ZINC000843119671 586408016 /nfs/dbraw/zinc/40/80/16/586408016.db2.gz ZLMULSVUNFCSHI-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(N)nc1 ZINC000843119671 586408018 /nfs/dbraw/zinc/40/80/18/586408018.db2.gz ZLMULSVUNFCSHI-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CC[C@H](OC(F)F)C2)C1=O ZINC000840064519 586414236 /nfs/dbraw/zinc/41/42/36/586414236.db2.gz NGOODPPLFJKQAL-BDAKNGLRSA-N 1 2 248.273 1.126 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CC[C@H](OC(F)F)C2)C1=O ZINC000840064519 586414238 /nfs/dbraw/zinc/41/42/38/586414238.db2.gz NGOODPPLFJKQAL-BDAKNGLRSA-N 1 2 248.273 1.126 20 0 BDADLO CC1=C(C(=O)NCc2c[nH+]c[nH]2)SCCO1 ZINC000806897073 586420426 /nfs/dbraw/zinc/42/04/26/586420426.db2.gz DOPKGCUBJMJPHT-UHFFFAOYSA-N 1 2 239.300 1.021 20 0 BDADLO CC1=C(C(=O)NCc2c[nH]c[nH+]2)SCCO1 ZINC000806897073 586420428 /nfs/dbraw/zinc/42/04/28/586420428.db2.gz DOPKGCUBJMJPHT-UHFFFAOYSA-N 1 2 239.300 1.021 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC[C@H]2COC)C1 ZINC000840084385 586424752 /nfs/dbraw/zinc/42/47/52/586424752.db2.gz RUXRLJMXGRRDMJ-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@H+]2CC[C@H]2COC)C1 ZINC000840084385 586424755 /nfs/dbraw/zinc/42/47/55/586424755.db2.gz RUXRLJMXGRRDMJ-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO CC[NH2+]Cc1noc(CCC2CCOCC2)n1 ZINC000843145208 586444902 /nfs/dbraw/zinc/44/49/02/586444902.db2.gz WQVRYCTWQKFEHK-UHFFFAOYSA-N 1 2 239.319 1.538 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)OCCOCC)n1 ZINC000843145866 586445624 /nfs/dbraw/zinc/44/56/24/586445624.db2.gz YFTJLWZMXKXLTR-SECBINFHSA-N 1 2 243.307 1.293 20 0 BDADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@@H](F)C2)[C@H]1C1CC1 ZINC000840102626 586446581 /nfs/dbraw/zinc/44/65/81/586446581.db2.gz XWUZORCTFZHJOP-MNOVXSKESA-N 1 2 240.322 1.635 20 0 BDADLO CC1(C)C(=O)N(C[N@H+]2CC[C@@H](F)C2)[C@H]1C1CC1 ZINC000840102626 586446582 /nfs/dbraw/zinc/44/65/82/586446582.db2.gz XWUZORCTFZHJOP-MNOVXSKESA-N 1 2 240.322 1.635 20 0 BDADLO Cn1c[nH+]c(CNc2cccc3c2CNC3=O)c1 ZINC000808419568 586471500 /nfs/dbraw/zinc/47/15/00/586471500.db2.gz LIMHREBSSRTNHK-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccncc1 ZINC000809061761 586494739 /nfs/dbraw/zinc/49/47/39/586494739.db2.gz GWRUWGKZLMYWRE-UHFFFAOYSA-N 1 2 244.250 1.842 20 0 BDADLO NC(CCO)=[NH+]OCc1sccc1Cl ZINC000809377998 586504818 /nfs/dbraw/zinc/50/48/18/586504818.db2.gz RAFJUXCQHJTTGL-UHFFFAOYSA-N 1 2 234.708 1.782 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cnn(C)n1 ZINC000809949260 586526005 /nfs/dbraw/zinc/52/60/05/586526005.db2.gz GTMPXXQCISHESM-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cnn(C)n1 ZINC000809949260 586526007 /nfs/dbraw/zinc/52/60/07/586526007.db2.gz GTMPXXQCISHESM-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H]1C[NH+](Cc2cnn(C)n2)C[C@H](C)S1 ZINC000809949581 586526030 /nfs/dbraw/zinc/52/60/30/586526030.db2.gz SOCOCOFULYZMGF-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CCC1(F)F ZINC000810044505 586532713 /nfs/dbraw/zinc/53/27/13/586532713.db2.gz BVEGNMQPNNGRJP-HTQZYQBOSA-N 1 2 219.231 1.279 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CCC1(F)F ZINC000810044505 586532714 /nfs/dbraw/zinc/53/27/14/586532714.db2.gz BVEGNMQPNNGRJP-HTQZYQBOSA-N 1 2 219.231 1.279 20 0 BDADLO C[C@]1([NH2+]CCCc2ccncc2)CCOC1=O ZINC000810096317 586533532 /nfs/dbraw/zinc/53/35/32/586533532.db2.gz KLBGOKQPRAGSFV-ZDUSSCGKSA-N 1 2 234.299 1.309 20 0 BDADLO C[C@]1([NH2+]C[C@H](O)C2CCCCC2)CCOC1=O ZINC000810100008 586534165 /nfs/dbraw/zinc/53/41/65/586534165.db2.gz ZSQCFDOKXJRAQK-AAEUAGOBSA-N 1 2 241.331 1.223 20 0 BDADLO CCC(=O)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000810746300 586545786 /nfs/dbraw/zinc/54/57/86/586545786.db2.gz JGUXLVBEXCTPGA-LLVKDONJSA-N 1 2 249.314 1.394 20 0 BDADLO CCC(=O)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000810746300 586545787 /nfs/dbraw/zinc/54/57/87/586545787.db2.gz JGUXLVBEXCTPGA-LLVKDONJSA-N 1 2 249.314 1.394 20 0 BDADLO C[C@H]1CC/C(=C/C(=O)NCc2c[nH+]cn2C)C1 ZINC000811588772 586561731 /nfs/dbraw/zinc/56/17/31/586561731.db2.gz VJWUETCKYOPAOT-OYUORYAFSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)NC(=S)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811711965 586566234 /nfs/dbraw/zinc/56/62/34/586566234.db2.gz CIQWYEQRWRIDNU-MRVPVSSYSA-N 1 2 238.360 1.140 20 0 BDADLO CC(C)NC(=S)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811711965 586566235 /nfs/dbraw/zinc/56/62/35/586566235.db2.gz CIQWYEQRWRIDNU-MRVPVSSYSA-N 1 2 238.360 1.140 20 0 BDADLO COCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811735800 586566275 /nfs/dbraw/zinc/56/62/75/586566275.db2.gz FKHCGQOAUPVSNA-NSHDSACASA-N 1 2 240.347 1.169 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811735800 586566276 /nfs/dbraw/zinc/56/62/76/586566276.db2.gz FKHCGQOAUPVSNA-NSHDSACASA-N 1 2 240.347 1.169 20 0 BDADLO NC(COC[C@@H]1CCCO1)=[NH+]OCC1CCC1 ZINC000842656738 586589042 /nfs/dbraw/zinc/58/90/42/586589042.db2.gz OTMMVLNFBJRCIX-NSHDSACASA-N 1 2 242.319 1.481 20 0 BDADLO Cn1cccc1C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814180659 586616122 /nfs/dbraw/zinc/61/61/22/586616122.db2.gz QMCBVRRRNNJURX-NSHDSACASA-N 1 2 236.315 1.551 20 0 BDADLO Cn1cccc1C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814180659 586616123 /nfs/dbraw/zinc/61/61/23/586616123.db2.gz QMCBVRRRNNJURX-NSHDSACASA-N 1 2 236.315 1.551 20 0 BDADLO O=C1O[C@H](COc2cc[nH+]cc2)CC12CC2 ZINC000814266005 586621065 /nfs/dbraw/zinc/62/10/65/586621065.db2.gz UVADXQFQFCNSCE-JTQLQIEISA-N 1 2 219.240 1.556 20 0 BDADLO CSc1cnc(NCCc2cn(C)c[nH+]2)nc1 ZINC000840326961 586644619 /nfs/dbraw/zinc/64/46/19/586644619.db2.gz LHEJYJXVHZDOAA-UHFFFAOYSA-N 1 2 249.343 1.587 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)c2cccc(F)c2)CCO1 ZINC000815166222 586672224 /nfs/dbraw/zinc/67/22/24/586672224.db2.gz CCGFORVYNCKPBI-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc(F)c2)CCO1 ZINC000815166222 586672225 /nfs/dbraw/zinc/67/22/25/586672225.db2.gz CCGFORVYNCKPBI-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)C(C)(F)F ZINC000815488193 586685808 /nfs/dbraw/zinc/68/58/08/586685808.db2.gz WNKNAEQYWXBXMA-QMMMGPOBSA-N 1 2 232.230 1.718 20 0 BDADLO C[C@@H](C(=O)OCc1cc[nH+]c(N)c1)C(C)(F)F ZINC000815492847 586686348 /nfs/dbraw/zinc/68/63/48/586686348.db2.gz VTZHOTVSPAPOJY-ZETCQYMHSA-N 1 2 244.241 1.998 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859789115 589061493 /nfs/dbraw/zinc/06/14/93/589061493.db2.gz KRPHZJKRCAUUKX-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859789115 589061494 /nfs/dbraw/zinc/06/14/94/589061494.db2.gz KRPHZJKRCAUUKX-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO CCOCC[N@H+](CC)Cc1cnn(C)c1Cl ZINC000816497499 586736928 /nfs/dbraw/zinc/73/69/28/586736928.db2.gz FUTYEGHTWSADKS-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cnn(C)c1Cl ZINC000816497499 586736929 /nfs/dbraw/zinc/73/69/29/586736929.db2.gz FUTYEGHTWSADKS-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000816499743 586736957 /nfs/dbraw/zinc/73/69/57/586736957.db2.gz ZBTWFEIRIRQGOZ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000816499743 586736958 /nfs/dbraw/zinc/73/69/58/586736958.db2.gz ZBTWFEIRIRQGOZ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cn1ncc(C[N@H+](C)[C@H]2CCCOC2)c1Cl ZINC000816607707 586744027 /nfs/dbraw/zinc/74/40/27/586744027.db2.gz CKRRAUDBYSUSIP-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(C[N@@H+](C)[C@H]2CCCOC2)c1Cl ZINC000816607707 586744029 /nfs/dbraw/zinc/74/40/29/586744029.db2.gz CKRRAUDBYSUSIP-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO C=C=CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816701064 586758725 /nfs/dbraw/zinc/75/87/25/586758725.db2.gz DONXODVQHAPREF-UHFFFAOYSA-N 1 2 240.266 1.338 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCCCC1 ZINC000816808653 586764561 /nfs/dbraw/zinc/76/45/61/586764561.db2.gz VECGUZBZVFAKPG-UHFFFAOYSA-N 1 2 207.277 1.355 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CCCCCC1 ZINC000816807957 586765033 /nfs/dbraw/zinc/76/50/33/586765033.db2.gz WTNDJBLIGSELMO-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1F ZINC000816819899 586766266 /nfs/dbraw/zinc/76/62/66/586766266.db2.gz SYMLCYZTVNANRE-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccn1 ZINC000816834312 586766948 /nfs/dbraw/zinc/76/69/48/586766948.db2.gz NJNJEOVMDALVNH-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816903441 586770322 /nfs/dbraw/zinc/77/03/22/586770322.db2.gz DJPVEVJNHSOGTO-JTQLQIEISA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1SCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000816928998 586772152 /nfs/dbraw/zinc/77/21/52/586772152.db2.gz YNXMXDLEUVNGNL-DTWKUNHWSA-N 1 2 239.344 1.305 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000816940611 586772594 /nfs/dbraw/zinc/77/25/94/586772594.db2.gz IKLVNEZJBDNZLM-RKDXNWHRSA-N 1 2 207.277 1.067 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816945803 586772821 /nfs/dbraw/zinc/77/28/21/586772821.db2.gz PSVYAIJFLJZYBX-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816971831 586775371 /nfs/dbraw/zinc/77/53/71/586775371.db2.gz RNTVODDMLDMQBR-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@]1(C(=O)OCc2cc[nH+]c(N)c2)CC1(F)F ZINC000817252824 586791170 /nfs/dbraw/zinc/79/11/70/586791170.db2.gz UKAPFUJMYAQRCM-JTQLQIEISA-N 1 2 242.225 1.752 20 0 BDADLO Cc1cc(CNC(=O)C2=COCC2)cc(C)[nH+]1 ZINC000817619430 586814009 /nfs/dbraw/zinc/81/40/09/586814009.db2.gz SHXNOMABHOFFAX-UHFFFAOYSA-N 1 2 232.283 1.619 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)no1 ZINC000819074934 586929032 /nfs/dbraw/zinc/92/90/32/586929032.db2.gz WPSSSCMOJHOHTG-GFCCVEGCSA-N 1 2 247.298 1.510 20 0 BDADLO O=C(C(F)=C1CCC1)N1CC[NH+](C2CC2)CC1 ZINC000819183542 586936657 /nfs/dbraw/zinc/93/66/57/586936657.db2.gz FPOWPTOXXLUOMH-UHFFFAOYSA-N 1 2 238.306 1.701 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccns2)[nH]1 ZINC000860060858 589077943 /nfs/dbraw/zinc/07/79/43/589077943.db2.gz BSQUYIRWZQCSMX-RNFRBKRXSA-N 1 2 237.332 1.981 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c21 ZINC000819544087 586976146 /nfs/dbraw/zinc/97/61/46/586976146.db2.gz JKLBWZGLBHPGSJ-CBZSPVTBSA-N 1 2 247.298 1.179 20 0 BDADLO CCCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819766764 586991827 /nfs/dbraw/zinc/99/18/27/586991827.db2.gz ANTCUWLMHIATIX-SSDOTTSWSA-N 1 2 200.307 1.784 20 0 BDADLO C/C=C(\CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819784113 586994857 /nfs/dbraw/zinc/99/48/57/586994857.db2.gz XPYWJYJTHYFNOR-VKDKVYATSA-N 1 2 212.318 1.950 20 0 BDADLO CC/C=C(/C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000819973520 587009388 /nfs/dbraw/zinc/00/93/88/587009388.db2.gz YHWKMQYQQMVBIF-WTKPLQERSA-N 1 2 219.288 1.651 20 0 BDADLO CC/C=C(/C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000819973520 587009390 /nfs/dbraw/zinc/00/93/90/587009390.db2.gz YHWKMQYQQMVBIF-WTKPLQERSA-N 1 2 219.288 1.651 20 0 BDADLO CC(C)[N@@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000820015692 587012756 /nfs/dbraw/zinc/01/27/56/587012756.db2.gz XQXVWDQHTFJQJX-UHFFFAOYSA-N 1 2 247.298 1.629 20 0 BDADLO CC(C)[N@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000820015692 587012753 /nfs/dbraw/zinc/01/27/53/587012753.db2.gz XQXVWDQHTFJQJX-UHFFFAOYSA-N 1 2 247.298 1.629 20 0 BDADLO Cc1ncoc1CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820181417 587032802 /nfs/dbraw/zinc/03/28/02/587032802.db2.gz QGCJZVZNTOKYJH-ARJAWSKDSA-N 1 2 246.270 1.046 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1[nH]cc[nH+]1 ZINC000820267838 587039522 /nfs/dbraw/zinc/03/95/22/587039522.db2.gz KGBYHRNJODTMJX-PHDIDXHHSA-N 1 2 248.113 1.781 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1cnccn1)c1[nH]cc[nH+]1 ZINC000820276064 587039846 /nfs/dbraw/zinc/03/98/46/587039846.db2.gz SGAVQCPHOCEMSP-GKQMSVHHSA-N 1 2 243.270 1.090 20 0 BDADLO C[C@H]1CN(C(=O)c2cc(Cl)no2)CC[N@@H+]1C ZINC000820295704 587042202 /nfs/dbraw/zinc/04/22/02/587042202.db2.gz NDABWDVSTKEDMD-ZETCQYMHSA-N 1 2 243.694 1.104 20 0 BDADLO C[C@H]1CN(C(=O)c2cc(Cl)no2)CC[N@H+]1C ZINC000820295704 587042204 /nfs/dbraw/zinc/04/22/04/587042204.db2.gz NDABWDVSTKEDMD-ZETCQYMHSA-N 1 2 243.694 1.104 20 0 BDADLO O=C(NC1(CCO)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000820433812 587048778 /nfs/dbraw/zinc/04/87/78/587048778.db2.gz KCFQODISXRYLOQ-UHFFFAOYSA-N 1 2 245.282 1.208 20 0 BDADLO Cc1cnc(NCCNc2cccc[nH+]2)o1 ZINC000820609560 587058661 /nfs/dbraw/zinc/05/86/61/587058661.db2.gz HPYUDMVKRFWRJE-UHFFFAOYSA-N 1 2 218.260 1.902 20 0 BDADLO Cc1ccc(NC(=O)CN2CCOC2=O)c(C)[nH+]1 ZINC000820756638 587070502 /nfs/dbraw/zinc/07/05/02/587070502.db2.gz OFRGXEVTYPHQBA-UHFFFAOYSA-N 1 2 249.270 1.089 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2ccnn2C)on1 ZINC000820807399 587073380 /nfs/dbraw/zinc/07/33/80/587073380.db2.gz HTDDQIUKWVWVTK-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO Cc1ncoc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000820926985 587082376 /nfs/dbraw/zinc/08/23/76/587082376.db2.gz HTFWPMNDHKUKAG-UHFFFAOYSA-N 1 2 245.242 1.472 20 0 BDADLO CC(C)C1(C(=O)N[C@@H]2CCn3cc[nH+]c32)COC1 ZINC000820948515 587084024 /nfs/dbraw/zinc/08/40/24/587084024.db2.gz ZDTKRZYNYGSWQV-SNVBAGLBSA-N 1 2 249.314 1.117 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000820948051 587084106 /nfs/dbraw/zinc/08/41/06/587084106.db2.gz NMMXIWFQNBJSLN-VWYCJHECSA-N 1 2 249.314 1.259 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC1(Cl)Cl ZINC000821006473 587088001 /nfs/dbraw/zinc/08/80/01/587088001.db2.gz YFXXHASNMPJPRR-LURJTMIESA-N 1 2 248.113 1.262 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NOC2CCC2)c1 ZINC000821223002 587102905 /nfs/dbraw/zinc/10/29/05/587102905.db2.gz ZAKSHLPQJQJFBR-AATRIKPKSA-N 1 2 221.260 1.034 20 0 BDADLO CCc1noc(C)c1NC(=O)C[NH+]1CCCC1 ZINC000821312635 587106929 /nfs/dbraw/zinc/10/69/29/587106929.db2.gz KFIGDYDGKHQLAQ-UHFFFAOYSA-N 1 2 237.303 1.580 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@H]1CCC(=O)O1 ZINC000821363146 587112267 /nfs/dbraw/zinc/11/22/67/587112267.db2.gz UJGRWVDPHGUQAZ-VIFPVBQESA-N 1 2 226.301 1.281 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@H]1CCC(=O)O1 ZINC000821363146 587112268 /nfs/dbraw/zinc/11/22/68/587112268.db2.gz UJGRWVDPHGUQAZ-VIFPVBQESA-N 1 2 226.301 1.281 20 0 BDADLO CO[C@H]1CC[C@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC000821401677 587117165 /nfs/dbraw/zinc/11/71/65/587117165.db2.gz GJBMYEFTWACKCD-UWVGGRQHSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[C@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC000821401677 587117167 /nfs/dbraw/zinc/11/71/67/587117167.db2.gz GJBMYEFTWACKCD-UWVGGRQHSA-N 1 2 225.292 1.377 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)C1CC1 ZINC000821607992 587132285 /nfs/dbraw/zinc/13/22/85/587132285.db2.gz NXELUBTXUMGKJB-UHFFFAOYSA-N 1 2 220.272 1.601 20 0 BDADLO CSC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000821931093 587147132 /nfs/dbraw/zinc/14/71/32/587147132.db2.gz OLKJWYNUMCSWNF-UHFFFAOYSA-N 1 2 227.333 1.141 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822404050 587165950 /nfs/dbraw/zinc/16/59/50/587165950.db2.gz GFAJVEKYROLLAY-FTGSRHIXSA-N 1 2 247.342 1.984 20 0 BDADLO COC(C[N@@H+]1Cc2cccnc2C1)OC ZINC000823001887 587197890 /nfs/dbraw/zinc/19/78/90/587197890.db2.gz RRUMDGUADLWVQH-UHFFFAOYSA-N 1 2 208.261 1.016 20 0 BDADLO COC(C[N@H+]1Cc2cccnc2C1)OC ZINC000823001887 587197891 /nfs/dbraw/zinc/19/78/91/587197891.db2.gz RRUMDGUADLWVQH-UHFFFAOYSA-N 1 2 208.261 1.016 20 0 BDADLO CCCCC[C@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000823190639 587207492 /nfs/dbraw/zinc/20/74/92/587207492.db2.gz KBNBWGQQVPAGCE-JTQLQIEISA-N 1 2 239.319 1.309 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]1c1ccccc1 ZINC000823643923 587233696 /nfs/dbraw/zinc/23/36/96/587233696.db2.gz MFXFFVBUHMZACE-RYUDHWBXSA-N 1 2 241.294 1.625 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cnsn1 ZINC000823862458 587244098 /nfs/dbraw/zinc/24/40/98/587244098.db2.gz RGVKSCRAGDFTHL-UHFFFAOYSA-N 1 2 237.288 1.154 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000824276805 587264726 /nfs/dbraw/zinc/26/47/26/587264726.db2.gz MROIUSRTVVKEFW-NOOOWODRSA-N 1 2 243.347 1.730 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000824344415 587266892 /nfs/dbraw/zinc/26/68/92/587266892.db2.gz KXYYHZITDQPSDF-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO Cc1cnccc1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000824344415 587266893 /nfs/dbraw/zinc/26/68/93/587266893.db2.gz KXYYHZITDQPSDF-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)[C@H]1CCCOC1 ZINC000824370312 587268194 /nfs/dbraw/zinc/26/81/94/587268194.db2.gz DWHBTWCZOKJDLJ-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)[C@H]1CCCOC1 ZINC000824370312 587268196 /nfs/dbraw/zinc/26/81/96/587268196.db2.gz DWHBTWCZOKJDLJ-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CC(C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000824950678 587294769 /nfs/dbraw/zinc/29/47/69/587294769.db2.gz VZWYYOIIIKGZRT-NSHDSACASA-N 1 2 235.331 1.989 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2C=CCC2)c1 ZINC000824965437 587295701 /nfs/dbraw/zinc/29/57/01/587295701.db2.gz NULJAYPJTPZZTG-FGEFZZPRSA-N 1 2 217.272 1.268 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H]1CCC=CO1 ZINC000825104434 587305151 /nfs/dbraw/zinc/30/51/51/587305151.db2.gz WYPYXIBCODRAEG-NXEZZACHSA-N 1 2 235.274 1.627 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H]1CCC=CO1 ZINC000825104434 587305153 /nfs/dbraw/zinc/30/51/53/587305153.db2.gz WYPYXIBCODRAEG-NXEZZACHSA-N 1 2 235.274 1.627 20 0 BDADLO CCCCN(C)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825281819 587312750 /nfs/dbraw/zinc/31/27/50/587312750.db2.gz JNYQITXBEYKZBK-UHFFFAOYSA-N 1 2 246.318 1.806 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000825602605 587326997 /nfs/dbraw/zinc/32/69/97/587326997.db2.gz BJVVGHYFPVWZRT-WUNPDAOYSA-N 1 2 231.299 1.302 20 0 BDADLO CC(C)n1ccnc1C[NH+]1CC2(C1)CCOC2 ZINC000826023691 587348764 /nfs/dbraw/zinc/34/87/64/587348764.db2.gz CQKABWUMVAHKET-UHFFFAOYSA-N 1 2 235.331 1.686 20 0 BDADLO CC[C@@H](CNc1nc[nH+]c2c1CCC2)C(=O)OC ZINC000826637979 587357437 /nfs/dbraw/zinc/35/74/37/587357437.db2.gz GUWKDMMZRWXBOJ-VIFPVBQESA-N 1 2 249.314 1.576 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1CC1 ZINC000826737215 587360841 /nfs/dbraw/zinc/36/08/41/587360841.db2.gz SCCBNEWXHNZIQC-CYBMUJFWSA-N 1 2 230.311 1.699 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1CC1 ZINC000826737215 587360842 /nfs/dbraw/zinc/36/08/42/587360842.db2.gz SCCBNEWXHNZIQC-CYBMUJFWSA-N 1 2 230.311 1.699 20 0 BDADLO CCCn1nccc1C[N@H+](CCF)CCOC ZINC000827049442 587368776 /nfs/dbraw/zinc/36/87/76/587368776.db2.gz XSHNSMPFSIAISH-UHFFFAOYSA-N 1 2 243.326 1.711 20 0 BDADLO CCCn1nccc1C[N@@H+](CCF)CCOC ZINC000827049442 587368777 /nfs/dbraw/zinc/36/87/77/587368777.db2.gz XSHNSMPFSIAISH-UHFFFAOYSA-N 1 2 243.326 1.711 20 0 BDADLO COCCN(CCF)Cc1c[nH+]cn1C(C)C ZINC000827049086 587368794 /nfs/dbraw/zinc/36/87/94/587368794.db2.gz VKXUBEBEYKMYSH-UHFFFAOYSA-N 1 2 243.326 1.882 20 0 BDADLO CCCc1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000827087667 587369775 /nfs/dbraw/zinc/36/97/75/587369775.db2.gz QOPIXQYJADSCLD-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](c2ccco2)C1 ZINC000827177681 587372120 /nfs/dbraw/zinc/37/21/20/587372120.db2.gz AMOZIUCITCRTQA-SNVBAGLBSA-N 1 2 245.282 1.561 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000827435011 587381135 /nfs/dbraw/zinc/38/11/35/587381135.db2.gz SGSLECUCRZQMMI-OLKPEBQYSA-N 1 2 233.315 1.740 20 0 BDADLO CCC(C)=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000827435011 587381137 /nfs/dbraw/zinc/38/11/37/587381137.db2.gz SGSLECUCRZQMMI-OLKPEBQYSA-N 1 2 233.315 1.740 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000827612171 587392396 /nfs/dbraw/zinc/39/23/96/587392396.db2.gz DAHJPYDQOMOCKM-OUAUKWLOSA-N 1 2 235.331 1.893 20 0 BDADLO C[S@@](=O)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827978936 587414442 /nfs/dbraw/zinc/41/44/42/587414442.db2.gz DLXLJKDQMUPYAW-BLLLJJGKSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@@](=O)CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000827978936 587414444 /nfs/dbraw/zinc/41/44/44/587414444.db2.gz DLXLJKDQMUPYAW-BLLLJJGKSA-N 1 2 241.331 1.951 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC=CCC1 ZINC000828223909 587425485 /nfs/dbraw/zinc/42/54/85/587425485.db2.gz AMVQMZVUQHPPIQ-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC[C@@H](C)O)C(C)(C)C ZINC000828379632 587438920 /nfs/dbraw/zinc/43/89/20/587438920.db2.gz NANQFDXEXKNHKL-GHMZBOCLSA-N 1 2 245.363 1.715 20 0 BDADLO CCC(=O)CCC[N@H+](C)CCS(=O)(=O)CC ZINC000828505358 587446243 /nfs/dbraw/zinc/44/62/43/587446243.db2.gz OOOOLFPAZVPZEJ-UHFFFAOYSA-N 1 2 249.376 1.112 20 0 BDADLO CCC(=O)CCC[N@@H+](C)CCS(=O)(=O)CC ZINC000828505358 587446245 /nfs/dbraw/zinc/44/62/45/587446245.db2.gz OOOOLFPAZVPZEJ-UHFFFAOYSA-N 1 2 249.376 1.112 20 0 BDADLO Cc1ccc(C[N@H+](C)CC[S@@](C)=O)nc1 ZINC000828588130 587452426 /nfs/dbraw/zinc/45/24/26/587452426.db2.gz UEIKGGRNBMGFFQ-OAHLLOKOSA-N 1 2 226.345 1.200 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC[S@@](C)=O)nc1 ZINC000828588130 587452428 /nfs/dbraw/zinc/45/24/28/587452428.db2.gz UEIKGGRNBMGFFQ-OAHLLOKOSA-N 1 2 226.345 1.200 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000828607713 587453317 /nfs/dbraw/zinc/45/33/17/587453317.db2.gz WWVFDZNFTMPNEM-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828890042 587469044 /nfs/dbraw/zinc/46/90/44/587469044.db2.gz ZBXIRXIHWVFIBU-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO CCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829137009 587484451 /nfs/dbraw/zinc/48/44/51/587484451.db2.gz QXYYDXYZZVPVBT-UHFFFAOYSA-N 1 2 211.696 1.898 20 0 BDADLO CCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829137009 587484452 /nfs/dbraw/zinc/48/44/52/587484452.db2.gz QXYYDXYZZVPVBT-UHFFFAOYSA-N 1 2 211.696 1.898 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)CC[S@@](C)=O)c1 ZINC000829275112 587491018 /nfs/dbraw/zinc/49/10/18/587491018.db2.gz KTQPYHWFNYEQOJ-MRXNPFEDSA-N 1 2 243.347 1.944 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)CC[S@@](C)=O)c1 ZINC000829275112 587491019 /nfs/dbraw/zinc/49/10/19/587491019.db2.gz KTQPYHWFNYEQOJ-MRXNPFEDSA-N 1 2 243.347 1.944 20 0 BDADLO CC(C)C1(O)C[NH+](CCc2cscn2)C1 ZINC000829291797 587491901 /nfs/dbraw/zinc/49/19/01/587491901.db2.gz QVRKITKWRGOBFB-UHFFFAOYSA-N 1 2 226.345 1.388 20 0 BDADLO O=C(N[C@]12C[C@H]1COC2)c1cc2c[nH+]ccc2[nH]1 ZINC000829569320 587504070 /nfs/dbraw/zinc/50/40/70/587504070.db2.gz CUQFMXULGWHYET-ZANVPECISA-N 1 2 243.266 1.082 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000829630098 587506532 /nfs/dbraw/zinc/50/65/32/587506532.db2.gz AZSHKZGZZQTQRL-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO CC1=NO[C@@H](C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000829949605 587529841 /nfs/dbraw/zinc/52/98/41/587529841.db2.gz ZZYJDQPFHIWCME-LLVKDONJSA-N 1 2 233.271 1.802 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1csc(Cl)n1 ZINC000830103066 587535590 /nfs/dbraw/zinc/53/55/90/587535590.db2.gz PTTYEEOYAFVHED-HTQZYQBOSA-N 1 2 248.735 1.300 20 0 BDADLO Cc1cccc(C)c1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000830417737 587550993 /nfs/dbraw/zinc/55/09/93/587550993.db2.gz RPSGTDPQAYIUJV-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CCC(F)(F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000830493263 587554731 /nfs/dbraw/zinc/55/47/31/587554731.db2.gz XAJMCFUEJHZPEC-UHFFFAOYSA-N 1 2 245.273 1.777 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1CCC(=O)C1 ZINC000830892552 587575822 /nfs/dbraw/zinc/57/58/22/587575822.db2.gz XJCWJRPSZDVPNL-VIFPVBQESA-N 1 2 249.266 1.503 20 0 BDADLO CC[N@H+](CCSC)Cc1nonc1C ZINC000830999891 587581753 /nfs/dbraw/zinc/58/17/53/587581753.db2.gz YIOXTLONMAYFQK-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CC[N@@H+](CCSC)Cc1nonc1C ZINC000830999891 587581754 /nfs/dbraw/zinc/58/17/54/587581754.db2.gz YIOXTLONMAYFQK-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC1CC=CC1 ZINC000831434029 587606901 /nfs/dbraw/zinc/60/69/01/587606901.db2.gz SSWCTBWTGYANOK-UHFFFAOYSA-N 1 2 233.315 1.435 20 0 BDADLO CCON(CC)C(=O)CCc1c[nH+]cn1C ZINC000831462465 587610130 /nfs/dbraw/zinc/61/01/30/587610130.db2.gz CTQBGPFGDAWECR-UHFFFAOYSA-N 1 2 225.292 1.153 20 0 BDADLO CC[C@@H](CSC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831702744 587628572 /nfs/dbraw/zinc/62/85/72/587628572.db2.gz SVPBLMOTGGPKTE-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO Cc1ccccc1OCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000831758892 587630258 /nfs/dbraw/zinc/63/02/58/587630258.db2.gz FBYQXPFKJZXXHN-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccccc1OCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000831758892 587630260 /nfs/dbraw/zinc/63/02/60/587630260.db2.gz FBYQXPFKJZXXHN-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758996 587630516 /nfs/dbraw/zinc/63/05/16/587630516.db2.gz GYMONBJZYLMULR-NKWVEPMBSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758996 587630520 /nfs/dbraw/zinc/63/05/20/587630520.db2.gz GYMONBJZYLMULR-NKWVEPMBSA-N 1 2 237.130 1.001 20 0 BDADLO CN(C[C@H]1CC=CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000832043370 587643656 /nfs/dbraw/zinc/64/36/56/587643656.db2.gz FRGRXZRXIXBTOJ-NSHDSACASA-N 1 2 233.315 1.767 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000832146675 587646523 /nfs/dbraw/zinc/64/65/23/587646523.db2.gz BKXNVBLBBYLBQU-GMTAPVOTSA-N 1 2 235.331 1.893 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000832165271 587647366 /nfs/dbraw/zinc/64/73/66/587647366.db2.gz QQZUQNRAFCUANM-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO COCC(C)(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832747213 587683111 /nfs/dbraw/zinc/68/31/11/587683111.db2.gz ODDVCBCJYACWIT-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833278062 587704160 /nfs/dbraw/zinc/70/41/60/587704160.db2.gz MULWHLQCJYWOLF-VHSXEESVSA-N 1 2 221.304 1.880 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000833284729 587704435 /nfs/dbraw/zinc/70/44/35/587704435.db2.gz KIZRCARRXBAYLQ-KXNHARMFSA-N 1 2 245.326 1.880 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC12CCCC2 ZINC000834426661 587755056 /nfs/dbraw/zinc/75/50/56/587755056.db2.gz DSTFMONLXHXQRP-VIFPVBQESA-N 1 2 219.288 1.401 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000835266736 587793493 /nfs/dbraw/zinc/79/34/93/587793493.db2.gz LOLRTQADAIIEAO-QJPTWQEYSA-N 1 2 241.331 1.296 20 0 BDADLO O=C(NOC1CCC1)Nc1ccc2[nH+]ccn2c1 ZINC000836416897 587832757 /nfs/dbraw/zinc/83/27/57/587832757.db2.gz IJADCKKYSUWBRM-UHFFFAOYSA-N 1 2 246.270 1.940 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)NN1CCCC1 ZINC000836416490 587832885 /nfs/dbraw/zinc/83/28/85/587832885.db2.gz ANFSUBMTTDQXBK-UHFFFAOYSA-N 1 2 245.286 1.467 20 0 BDADLO CC(C)=CCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836421824 587832901 /nfs/dbraw/zinc/83/29/01/587832901.db2.gz ZSRTZXMGAOPHEV-JTQLQIEISA-N 1 2 234.303 1.593 20 0 BDADLO CC(C)=C(C)C(=O)OCCc1c[nH+]cn1C ZINC000837564087 587882098 /nfs/dbraw/zinc/88/20/98/587882098.db2.gz KKASGXOQQGQCDJ-UHFFFAOYSA-N 1 2 222.288 1.862 20 0 BDADLO CCC/C=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC000837716666 587892241 /nfs/dbraw/zinc/89/22/41/587892241.db2.gz ZJRURCQVFODMBR-AATRIKPKSA-N 1 2 221.304 1.435 20 0 BDADLO C[C@H]1CC[C@@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840821131 587923124 /nfs/dbraw/zinc/92/31/24/587923124.db2.gz YKQPABSDVPXWIK-GXFFZTMASA-N 1 2 222.332 1.877 20 0 BDADLO Cc1occc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000840938286 587930755 /nfs/dbraw/zinc/93/07/55/587930755.db2.gz MQYNMQKHQMRXCJ-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1occc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000840938286 587930757 /nfs/dbraw/zinc/93/07/57/587930757.db2.gz MQYNMQKHQMRXCJ-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO CC1=CCC[N@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841683635 587971828 /nfs/dbraw/zinc/97/18/28/587971828.db2.gz JAZXGCVADVQDFX-UHFFFAOYSA-N 1 2 230.258 1.464 20 0 BDADLO CC1=CCC[N@@H+](CN2CC(F)(F)CC2=O)C1 ZINC000841683635 587971830 /nfs/dbraw/zinc/97/18/30/587971830.db2.gz JAZXGCVADVQDFX-UHFFFAOYSA-N 1 2 230.258 1.464 20 0 BDADLO O=C1CC(F)(F)CN1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000841683439 587971937 /nfs/dbraw/zinc/97/19/37/587971937.db2.gz KDOSNQMFDFXNSS-YUMQZZPRSA-N 1 2 248.298 1.001 20 0 BDADLO O=C1CC(F)(F)CN1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000841683439 587971938 /nfs/dbraw/zinc/97/19/38/587971938.db2.gz KDOSNQMFDFXNSS-YUMQZZPRSA-N 1 2 248.298 1.001 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841681302 587972114 /nfs/dbraw/zinc/97/21/14/587972114.db2.gz BVSBZDSCPTZIAR-MRVPVSSYSA-N 1 2 218.247 1.296 20 0 BDADLO CC[C@@H]1CC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841681302 587972115 /nfs/dbraw/zinc/97/21/15/587972115.db2.gz BVSBZDSCPTZIAR-MRVPVSSYSA-N 1 2 218.247 1.296 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCOCC1CCC1 ZINC000842025000 587989800 /nfs/dbraw/zinc/98/98/00/587989800.db2.gz MNZCVQFGJORFFB-UHFFFAOYSA-N 1 2 244.335 1.727 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)Cc1cccs1 ZINC000842028907 587990430 /nfs/dbraw/zinc/99/04/30/587990430.db2.gz ZYCXPDPEQNCJEX-MRVPVSSYSA-N 1 2 228.317 1.560 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CCC(F)(F)C1 ZINC000842035878 587992152 /nfs/dbraw/zinc/99/21/52/587992152.db2.gz FVDMDCLOVCQHCO-SFYZADRCSA-N 1 2 236.262 1.955 20 0 BDADLO NC(=[NH+]OCCc1cscn1)[C@H]1CCCO1 ZINC000842047417 587992736 /nfs/dbraw/zinc/99/27/36/587992736.db2.gz MZSNRPBQAWQEIT-SECBINFHSA-N 1 2 241.316 1.363 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)OC ZINC000842047447 587992774 /nfs/dbraw/zinc/99/27/74/587992774.db2.gz NWVWEKWYLBBXEQ-IUCAKERBSA-N 1 2 216.281 1.089 20 0 BDADLO CCC(CC)(CO)C(=O)OCCn1cc[nH+]c1 ZINC000842110326 588001137 /nfs/dbraw/zinc/00/11/37/588001137.db2.gz IOWDBSOLZZNPNB-UHFFFAOYSA-N 1 2 240.303 1.225 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCOCC2CCC2)CCO1 ZINC000842158144 588004749 /nfs/dbraw/zinc/00/47/49/588004749.db2.gz JIOYNCUBNRJIIX-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCOCC2CCC2)CCO1 ZINC000842158144 588004751 /nfs/dbraw/zinc/00/47/51/588004751.db2.gz JIOYNCUBNRJIIX-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC2(C1)CCCCC2 ZINC000867286435 588005465 /nfs/dbraw/zinc/00/54/65/588005465.db2.gz XDCHEXXTIVDMQA-LLVKDONJSA-N 1 2 249.314 1.236 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000842162983 588005684 /nfs/dbraw/zinc/00/56/84/588005684.db2.gz DCLUGSRMYNDPOJ-FXQIFTODSA-N 1 2 221.247 1.571 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@H](CC(C)C)OC ZINC000842164665 588005784 /nfs/dbraw/zinc/00/57/84/588005784.db2.gz YIVAYGFCLGBXAL-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CCc1cc(N)nc(SCC[S@@](C)=O)[nH+]1 ZINC000842569400 588042777 /nfs/dbraw/zinc/04/27/77/588042777.db2.gz BOZHRABGQHHDFF-OAHLLOKOSA-N 1 2 245.373 1.092 20 0 BDADLO CCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842657353 588050084 /nfs/dbraw/zinc/05/00/84/588050084.db2.gz ODTVJLOOFMPLTB-SECBINFHSA-N 1 2 216.281 1.090 20 0 BDADLO O=C(OCC1CN(c2cccc[nH+]2)C1)C1CCC1 ZINC000842893026 588071147 /nfs/dbraw/zinc/07/11/47/588071147.db2.gz RXKCKFJJRRNDSL-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO COC[C@H](C)OC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000867317869 588078983 /nfs/dbraw/zinc/07/89/83/588078983.db2.gz VVGXUEINAPTPFP-DTWKUNHWSA-N 1 2 239.275 1.089 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2O[C@H](C)C[C@@H]2C)n1 ZINC000843144375 588083516 /nfs/dbraw/zinc/08/35/16/588083516.db2.gz WYABKXHTNTVCRD-QXFUBDJGSA-N 1 2 225.292 1.665 20 0 BDADLO CC[NH2+]Cc1noc(CCc2ccoc2)n1 ZINC000843144657 588085895 /nfs/dbraw/zinc/08/58/95/588085895.db2.gz GFJZVWGWPAXUQW-UHFFFAOYSA-N 1 2 221.260 1.557 20 0 BDADLO C[NH2+]Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000843188698 588091322 /nfs/dbraw/zinc/09/13/22/588091322.db2.gz GKVPWEBBLUZDTC-UHFFFAOYSA-N 1 2 243.270 1.641 20 0 BDADLO COCC[NH2+]Cc1nc([C@@H](C)C(C)(C)C)no1 ZINC000843189643 588091995 /nfs/dbraw/zinc/09/19/95/588091995.db2.gz RLECDMYZQKCACZ-SECBINFHSA-N 1 2 241.335 1.955 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000867331414 588133688 /nfs/dbraw/zinc/13/36/88/588133688.db2.gz CCQZHXXBFHAWCL-VXGBXAGGSA-N 1 2 249.358 1.761 20 0 BDADLO C/C=C\C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000843750417 588137388 /nfs/dbraw/zinc/13/73/88/588137388.db2.gz XPPRTUNBOGFPAE-HYXAFXHYSA-N 1 2 243.310 1.878 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(C(F)F)CC1 ZINC000843801274 588141097 /nfs/dbraw/zinc/14/10/97/588141097.db2.gz XLOAMVJOSDWKEX-UHFFFAOYSA-N 1 2 241.241 1.312 20 0 BDADLO Cc1nnsc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000844319484 588184375 /nfs/dbraw/zinc/18/43/75/588184375.db2.gz YZPQZLOLPFSJRP-VIFPVBQESA-N 1 2 249.343 1.907 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)OCC(C)C ZINC000844374300 588188420 /nfs/dbraw/zinc/18/84/20/588188420.db2.gz GDZGSMDRBZTXNB-VXGBXAGGSA-N 1 2 245.363 1.572 20 0 BDADLO CC[N@H+](CC(=O)OCC(C)C)[C@@H]1CCCOC1 ZINC000844404242 588189840 /nfs/dbraw/zinc/18/98/40/588189840.db2.gz LVWNKHRNUSFUCS-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@@H+](CC(=O)OCC(C)C)[C@@H]1CCCOC1 ZINC000844404242 588189842 /nfs/dbraw/zinc/18/98/42/588189842.db2.gz LVWNKHRNUSFUCS-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458567 588196694 /nfs/dbraw/zinc/19/66/94/588196694.db2.gz OWBXXYHCWPYZAM-KNVOCYPGSA-N 1 2 215.203 1.075 20 0 BDADLO Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458567 588196695 /nfs/dbraw/zinc/19/66/95/588196695.db2.gz OWBXXYHCWPYZAM-KNVOCYPGSA-N 1 2 215.203 1.075 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000844537988 588201126 /nfs/dbraw/zinc/20/11/26/588201126.db2.gz TUYUXWIRKVVZOC-OLZOCXBDSA-N 1 2 247.342 1.863 20 0 BDADLO COC/C(C)=C/C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000844553660 588202040 /nfs/dbraw/zinc/20/20/40/588202040.db2.gz VMQPHNWGBQWSJT-PCYYEKQGSA-N 1 2 235.287 1.037 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845281248 588225378 /nfs/dbraw/zinc/22/53/78/588225378.db2.gz JLJXMMIKNJHJGK-NXEZZACHSA-N 1 2 238.287 1.745 20 0 BDADLO C[C@@H](CC(=O)OCCn1cccn1)n1cc[nH+]c1 ZINC000845282988 588225459 /nfs/dbraw/zinc/22/54/59/588225459.db2.gz WPIRTENHRNOWPW-NSHDSACASA-N 1 2 248.286 1.274 20 0 BDADLO CO[C@@H](C)CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845478270 588229953 /nfs/dbraw/zinc/22/99/53/588229953.db2.gz ZPABADPFEKRADY-QWRGUYRKSA-N 1 2 240.303 1.802 20 0 BDADLO C[C@@H](CC(=O)Nc1ccon1)n1cc[nH+]c1 ZINC000845907132 588250041 /nfs/dbraw/zinc/25/00/41/588250041.db2.gz MPLDSYJZPYNMEP-QMMMGPOBSA-N 1 2 220.232 1.461 20 0 BDADLO C[C@@H](CC(=O)NOC1CCCC1)n1cc[nH+]c1 ZINC000845916297 588250448 /nfs/dbraw/zinc/25/04/48/588250448.db2.gz XBIUWLKQMMMDLW-JTQLQIEISA-N 1 2 237.303 1.825 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000846087801 588255755 /nfs/dbraw/zinc/25/57/55/588255755.db2.gz UDRUFKOAKBTCPX-VXGBXAGGSA-N 1 2 240.347 1.636 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000846087476 588255855 /nfs/dbraw/zinc/25/58/55/588255855.db2.gz UDRUFKOAKBTCPX-RYUDHWBXSA-N 1 2 240.347 1.636 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000846088345 588256024 /nfs/dbraw/zinc/25/60/24/588256024.db2.gz XSQPJINMLLATHJ-MNOVXSKESA-N 1 2 228.336 1.470 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000846090240 588256119 /nfs/dbraw/zinc/25/61/19/588256119.db2.gz DLCCRMIQSOEYQW-CMPLNLGQSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000846090016 588256247 /nfs/dbraw/zinc/25/62/47/588256247.db2.gz BSIIBPZNMZPKHM-GARJFASQSA-N 1 2 228.336 1.468 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@@H](F)C2)n1 ZINC000846119072 588257751 /nfs/dbraw/zinc/25/77/51/588257751.db2.gz AHKWCRQHFZNRFQ-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@@H](F)C2)n1 ZINC000846119072 588257752 /nfs/dbraw/zinc/25/77/52/588257752.db2.gz AHKWCRQHFZNRFQ-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO CC(C)(NC(=O)CSC(F)F)c1[nH]cc[nH+]1 ZINC000846248872 588262827 /nfs/dbraw/zinc/26/28/27/588262827.db2.gz XSEMNHHCRATTSW-UHFFFAOYSA-N 1 2 249.286 1.717 20 0 BDADLO c1cn([C@H]2CCCN(Cc3cnsn3)C2)c[nH+]1 ZINC000846798451 588289005 /nfs/dbraw/zinc/28/90/05/588289005.db2.gz PBRFTKSWSKFMOW-NSHDSACASA-N 1 2 249.343 1.572 20 0 BDADLO CSC[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000846819252 588291251 /nfs/dbraw/zinc/29/12/51/588291251.db2.gz SPGYVALUIOXUIN-SECBINFHSA-N 1 2 229.374 1.866 20 0 BDADLO CSC[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC000846819252 588291252 /nfs/dbraw/zinc/29/12/52/588291252.db2.gz SPGYVALUIOXUIN-SECBINFHSA-N 1 2 229.374 1.866 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000846838407 588292136 /nfs/dbraw/zinc/29/21/36/588292136.db2.gz ZUFQFDFPJWXKSA-SECBINFHSA-N 1 2 239.388 1.896 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCN(C)[C@H](C)C1 ZINC000846838407 588292137 /nfs/dbraw/zinc/29/21/37/588292137.db2.gz ZUFQFDFPJWXKSA-SECBINFHSA-N 1 2 239.388 1.896 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@@H]1CCCC[C@@H]1O ZINC000846846938 588292672 /nfs/dbraw/zinc/29/26/72/588292672.db2.gz CWTMJOBQAMCTRA-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@@H]1CCCC[C@@H]1O ZINC000846846938 588292673 /nfs/dbraw/zinc/29/26/73/588292673.db2.gz CWTMJOBQAMCTRA-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3nonc3c2)CCC1=O ZINC000846863766 588293949 /nfs/dbraw/zinc/29/39/49/588293949.db2.gz ZBOIMDWVKRKMQY-VIFPVBQESA-N 1 2 245.282 1.634 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CCC1=O ZINC000846863766 588293950 /nfs/dbraw/zinc/29/39/50/588293950.db2.gz ZBOIMDWVKRKMQY-VIFPVBQESA-N 1 2 245.282 1.634 20 0 BDADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cnsn1 ZINC000846865425 588294244 /nfs/dbraw/zinc/29/42/44/588294244.db2.gz KXRSIMLMDFFQHU-DIYOJNKTSA-N 1 2 227.333 1.272 20 0 BDADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cnsn1 ZINC000846865425 588294245 /nfs/dbraw/zinc/29/42/45/588294245.db2.gz KXRSIMLMDFFQHU-DIYOJNKTSA-N 1 2 227.333 1.272 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cnsn1 ZINC000846867505 588294499 /nfs/dbraw/zinc/29/44/99/588294499.db2.gz BHVHKULICGGSLW-KKZNHRDASA-N 1 2 241.360 1.519 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cnsn1 ZINC000846867505 588294500 /nfs/dbraw/zinc/29/45/00/588294500.db2.gz BHVHKULICGGSLW-KKZNHRDASA-N 1 2 241.360 1.519 20 0 BDADLO C[N@H+](Cc1cnsn1)[C@H]1CC[C@H](O)CC1 ZINC000846871060 588294503 /nfs/dbraw/zinc/29/45/03/588294503.db2.gz RVVAEYBEUZGJPS-MGCOHNPYSA-N 1 2 227.333 1.273 20 0 BDADLO C[N@@H+](Cc1cnsn1)[C@H]1CC[C@H](O)CC1 ZINC000846871060 588294504 /nfs/dbraw/zinc/29/45/04/588294504.db2.gz RVVAEYBEUZGJPS-MGCOHNPYSA-N 1 2 227.333 1.273 20 0 BDADLO CC[N@@H+](Cc1cnsn1)C[C@H](C)OC ZINC000846914757 588296559 /nfs/dbraw/zinc/29/65/59/588296559.db2.gz NAPYBYYDHKCWEP-QMMMGPOBSA-N 1 2 215.322 1.395 20 0 BDADLO CC[N@H+](Cc1cnsn1)C[C@H](C)OC ZINC000846914757 588296560 /nfs/dbraw/zinc/29/65/60/588296560.db2.gz NAPYBYYDHKCWEP-QMMMGPOBSA-N 1 2 215.322 1.395 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1cnsn1 ZINC000846918206 588296837 /nfs/dbraw/zinc/29/68/37/588296837.db2.gz IHPLWCFSHWBMHG-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1cnsn1 ZINC000846918206 588296838 /nfs/dbraw/zinc/29/68/38/588296838.db2.gz IHPLWCFSHWBMHG-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cnsn1 ZINC000846998577 588300900 /nfs/dbraw/zinc/30/09/00/588300900.db2.gz YGDBCIZSACCIPO-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cnsn1 ZINC000846998577 588300901 /nfs/dbraw/zinc/30/09/01/588300901.db2.gz YGDBCIZSACCIPO-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000847007947 588301236 /nfs/dbraw/zinc/30/12/36/588301236.db2.gz IEPSEUWXMKMBQC-LLVKDONJSA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000847007947 588301237 /nfs/dbraw/zinc/30/12/37/588301237.db2.gz IEPSEUWXMKMBQC-LLVKDONJSA-N 1 2 241.360 1.928 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CC[S@](C)=O ZINC000847062801 588305465 /nfs/dbraw/zinc/30/54/65/588305465.db2.gz PELJKYRZSQKEBA-INIZCTEOSA-N 1 2 249.376 1.076 20 0 BDADLO C[N@H+](Cn1c2ccccc2oc1=O)[C@H]1CCOC1 ZINC000106857793 588312998 /nfs/dbraw/zinc/31/29/98/588312998.db2.gz NVVHYDLCMRJHIN-JTQLQIEISA-N 1 2 248.282 1.273 20 0 BDADLO C[N@@H+](Cn1c2ccccc2oc1=O)[C@H]1CCOC1 ZINC000106857793 588313000 /nfs/dbraw/zinc/31/30/00/588313000.db2.gz NVVHYDLCMRJHIN-JTQLQIEISA-N 1 2 248.282 1.273 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)nc1 ZINC000847588225 588317984 /nfs/dbraw/zinc/31/79/84/588317984.db2.gz XDKXHLCPZWFGAI-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)nc1 ZINC000847588225 588317986 /nfs/dbraw/zinc/31/79/86/588317986.db2.gz XDKXHLCPZWFGAI-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO Cc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)co1 ZINC000848512168 588388149 /nfs/dbraw/zinc/38/81/49/588388149.db2.gz HRARJYWNAGAXRE-VIFPVBQESA-N 1 2 225.248 1.160 20 0 BDADLO CO[C@](C)(CO)CNc1cc[nH+]c(C(C)C)n1 ZINC000848743341 588410514 /nfs/dbraw/zinc/41/05/14/588410514.db2.gz TZFZFDCSKBNOIL-LBPRGKRZSA-N 1 2 239.319 1.409 20 0 BDADLO CO[C@H](C)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782701 588413697 /nfs/dbraw/zinc/41/36/97/588413697.db2.gz MOCWDSKIWMUDOF-SNVBAGLBSA-N 1 2 248.282 1.834 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cnc(Cl)n1C ZINC000848887224 588417139 /nfs/dbraw/zinc/41/71/39/588417139.db2.gz QTBDVXDOHGJIQE-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cnc(Cl)n1C ZINC000848887224 588417141 /nfs/dbraw/zinc/41/71/41/588417141.db2.gz QTBDVXDOHGJIQE-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnc(Cl)n1C ZINC000848909905 588419484 /nfs/dbraw/zinc/41/94/84/588419484.db2.gz CLVDHCUSPOASLO-UHFFFAOYSA-N 1 2 241.682 1.055 20 0 BDADLO CCC1C[NH+](Cc2cnc(Cl)n2C)C1 ZINC000848914587 588420073 /nfs/dbraw/zinc/42/00/73/588420073.db2.gz LMEVRARQGKWXSS-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO Cc1[nH]c2ccc(-n3cc([C@@H](C)O)nn3)cc2[nH+]1 ZINC000849136370 588453916 /nfs/dbraw/zinc/45/39/16/588453916.db2.gz FZDHYDPRRZPZNC-SSDOTTSWSA-N 1 2 243.270 1.505 20 0 BDADLO Cc1[nH]c2cc(-n3cc([C@@H](C)O)nn3)ccc2[nH+]1 ZINC000849136370 588453918 /nfs/dbraw/zinc/45/39/18/588453918.db2.gz FZDHYDPRRZPZNC-SSDOTTSWSA-N 1 2 243.270 1.505 20 0 BDADLO CCC[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000849168591 588459030 /nfs/dbraw/zinc/45/90/30/588459030.db2.gz VJMZTWJAWKANLQ-NSHDSACASA-N 1 2 229.320 1.298 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000849394492 588476443 /nfs/dbraw/zinc/47/64/43/588476443.db2.gz ANXMMPSAIWBNCL-SECBINFHSA-N 1 2 222.292 1.379 20 0 BDADLO C[C@@H](O)CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000849817394 588503350 /nfs/dbraw/zinc/50/33/50/588503350.db2.gz APMBNALCDLURRI-NXEZZACHSA-N 1 2 226.276 1.148 20 0 BDADLO CSC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000849988837 588512876 /nfs/dbraw/zinc/51/28/76/588512876.db2.gz GXEOXVHMHWXVSZ-UHFFFAOYSA-N 1 2 242.344 1.647 20 0 BDADLO CC(C)n1cc[nH+]c1CNC(CF)CF ZINC000850312837 588536186 /nfs/dbraw/zinc/53/61/86/588536186.db2.gz FLRSSMUMXWQCIS-UHFFFAOYSA-N 1 2 217.263 1.861 20 0 BDADLO FCC(CF)[NH2+]Cc1cnn2c1CCC2 ZINC000850313358 588536219 /nfs/dbraw/zinc/53/62/19/588536219.db2.gz XVKDBRPCQOOFLM-UHFFFAOYSA-N 1 2 215.247 1.227 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(F)nc2)nn1 ZINC000850366951 588541264 /nfs/dbraw/zinc/54/12/64/588541264.db2.gz ORBKZQIZYNNCOR-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cc(C)nn2C)nn1 ZINC000850522744 588556577 /nfs/dbraw/zinc/55/65/77/588556577.db2.gz YONRELZCVOCUNG-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO FC(F)(F)[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851711985 588615551 /nfs/dbraw/zinc/61/55/51/588615551.db2.gz HVRPYJUEUWFDOJ-ZETCQYMHSA-N 1 2 235.209 1.844 20 0 BDADLO FC(F)(F)[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851711985 588615552 /nfs/dbraw/zinc/61/55/52/588615552.db2.gz HVRPYJUEUWFDOJ-ZETCQYMHSA-N 1 2 235.209 1.844 20 0 BDADLO COCC[N@H+](Cc1cnon1)Cc1ccccc1 ZINC000851718031 588616392 /nfs/dbraw/zinc/61/63/92/588616392.db2.gz BYONUVCKFIWCRC-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO COCC[N@@H+](Cc1cnon1)Cc1ccccc1 ZINC000851718031 588616393 /nfs/dbraw/zinc/61/63/93/588616393.db2.gz BYONUVCKFIWCRC-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(F)F)[C@@H](C)CO1 ZINC000851715898 588616508 /nfs/dbraw/zinc/61/65/08/588616508.db2.gz FHQUZFLNTVWLHY-JGVFFNPUSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(F)F)[C@@H](C)CO1 ZINC000851715898 588616507 /nfs/dbraw/zinc/61/65/07/588616507.db2.gz FHQUZFLNTVWLHY-JGVFFNPUSA-N 1 2 209.236 1.335 20 0 BDADLO C[N@H+](Cc1cnon1)Cc1ccc2c(c1)OCO2 ZINC000851722669 588617566 /nfs/dbraw/zinc/61/75/66/588617566.db2.gz ZPOJSMADILEPQO-UHFFFAOYSA-N 1 2 247.254 1.430 20 0 BDADLO C[N@@H+](Cc1cnon1)Cc1ccc2c(c1)OCO2 ZINC000851722669 588617567 /nfs/dbraw/zinc/61/75/67/588617567.db2.gz ZPOJSMADILEPQO-UHFFFAOYSA-N 1 2 247.254 1.430 20 0 BDADLO Cc1cccc2c1CC[N@H+](Cc1cnon1)C2 ZINC000851752660 588623791 /nfs/dbraw/zinc/62/37/91/588623791.db2.gz KMVDSMJLVIBDLJ-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1cccc2c1CC[N@@H+](Cc1cnon1)C2 ZINC000851752660 588623792 /nfs/dbraw/zinc/62/37/92/588623792.db2.gz KMVDSMJLVIBDLJ-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO ClC(Cl)=CC[N@@H+]1CCn2cnnc2C1 ZINC000851756507 588623953 /nfs/dbraw/zinc/62/39/53/588623953.db2.gz GKSBLMUOOVCMEI-UHFFFAOYSA-N 1 2 233.102 1.413 20 0 BDADLO ClC(Cl)=CC[N@H+]1CCn2cnnc2C1 ZINC000851756507 588623954 /nfs/dbraw/zinc/62/39/54/588623954.db2.gz GKSBLMUOOVCMEI-UHFFFAOYSA-N 1 2 233.102 1.413 20 0 BDADLO CN(CC[N@H+](C)Cc1cnon1)c1ccccc1 ZINC000851763299 588624684 /nfs/dbraw/zinc/62/46/84/588624684.db2.gz OICFMOBHRSILRL-UHFFFAOYSA-N 1 2 246.314 1.638 20 0 BDADLO CN(CC[N@@H+](C)Cc1cnon1)c1ccccc1 ZINC000851763299 588624685 /nfs/dbraw/zinc/62/46/85/588624685.db2.gz OICFMOBHRSILRL-UHFFFAOYSA-N 1 2 246.314 1.638 20 0 BDADLO C[C@](CO)([NH2+]Cc1cnon1)c1ccccc1 ZINC000851764331 588624763 /nfs/dbraw/zinc/62/47/63/588624763.db2.gz JUAJEAUWLFWHIM-GFCCVEGCSA-N 1 2 233.271 1.067 20 0 BDADLO FC(F)OCC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000851806311 588631259 /nfs/dbraw/zinc/63/12/59/588631259.db2.gz MWRVOKPOZSJLRS-UHFFFAOYSA-N 1 2 246.261 1.223 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000851875594 588638336 /nfs/dbraw/zinc/63/83/36/588638336.db2.gz OQPRMWDHXWATAB-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000851875594 588638337 /nfs/dbraw/zinc/63/83/37/588638337.db2.gz OQPRMWDHXWATAB-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H]1COC(C)(C)O1)C(=O)OC ZINC000851885970 588640122 /nfs/dbraw/zinc/64/01/22/588640122.db2.gz NRCILFVPANTAAK-JOYOIKCWSA-N 1 2 245.319 1.069 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2cnon2)cc1 ZINC000851893750 588641407 /nfs/dbraw/zinc/64/14/07/588641407.db2.gz VOZVXCGMOWRRJB-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO c1nonc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000851935720 588646074 /nfs/dbraw/zinc/64/60/74/588646074.db2.gz GEKLNKRZMOYFSU-UHFFFAOYSA-N 1 2 223.276 1.072 20 0 BDADLO c1nonc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000851935720 588646075 /nfs/dbraw/zinc/64/60/75/588646075.db2.gz GEKLNKRZMOYFSU-UHFFFAOYSA-N 1 2 223.276 1.072 20 0 BDADLO Fc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000851952759 588647598 /nfs/dbraw/zinc/64/75/98/588647598.db2.gz PWJJDTRMGYEUKW-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cccc(C[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000851952759 588647599 /nfs/dbraw/zinc/64/75/99/588647599.db2.gz PWJJDTRMGYEUKW-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2cnon2)C1 ZINC000851956484 588647696 /nfs/dbraw/zinc/64/76/96/588647696.db2.gz FTVQVFACUOZMLL-LLVKDONJSA-N 1 2 225.292 1.054 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2cnon2)C1 ZINC000851956484 588647695 /nfs/dbraw/zinc/64/76/95/588647695.db2.gz FTVQVFACUOZMLL-LLVKDONJSA-N 1 2 225.292 1.054 20 0 BDADLO Cc1n[nH]cc1C1CC[NH+](Cc2cnon2)CC1 ZINC000852023085 588656378 /nfs/dbraw/zinc/65/63/78/588656378.db2.gz JHQAQYCUIITPIM-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CC(C)[N@H+](Cc1cnon1)[C@H]1CCOC1 ZINC000852071213 588659122 /nfs/dbraw/zinc/65/91/22/588659122.db2.gz ZUHPYJXAHWYERK-JTQLQIEISA-N 1 2 211.265 1.069 20 0 BDADLO CC(C)[N@@H+](Cc1cnon1)[C@H]1CCOC1 ZINC000852071213 588659123 /nfs/dbraw/zinc/65/91/23/588659123.db2.gz ZUHPYJXAHWYERK-JTQLQIEISA-N 1 2 211.265 1.069 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@](C)(F)C2)c1 ZINC000852096933 588661781 /nfs/dbraw/zinc/66/17/81/588661781.db2.gz QEMOMVSIBCJORE-NSHDSACASA-N 1 2 211.284 1.744 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@](C)(F)C2)c1 ZINC000852096933 588661782 /nfs/dbraw/zinc/66/17/82/588661782.db2.gz QEMOMVSIBCJORE-NSHDSACASA-N 1 2 211.284 1.744 20 0 BDADLO O=C1CC[N@@H+](CCOC(F)F)C2(CCC2)C1 ZINC000852182593 588670194 /nfs/dbraw/zinc/67/01/94/588670194.db2.gz ZALPESPPCLLQQA-UHFFFAOYSA-N 1 2 233.258 1.813 20 0 BDADLO O=C1CC[N@H+](CCOC(F)F)C2(CCC2)C1 ZINC000852182593 588670195 /nfs/dbraw/zinc/67/01/95/588670195.db2.gz ZALPESPPCLLQQA-UHFFFAOYSA-N 1 2 233.258 1.813 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc2nonc2c1 ZINC000852287826 588675713 /nfs/dbraw/zinc/67/57/13/588675713.db2.gz HBPSGEVCOIJEOZ-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc2nonc2c1 ZINC000852287826 588675714 /nfs/dbraw/zinc/67/57/14/588675714.db2.gz HBPSGEVCOIJEOZ-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc2nonc2c1 ZINC000852287826 588675715 /nfs/dbraw/zinc/67/57/15/588675715.db2.gz HBPSGEVCOIJEOZ-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc2nonc2c1 ZINC000852287826 588675716 /nfs/dbraw/zinc/67/57/16/588675716.db2.gz HBPSGEVCOIJEOZ-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000852320432 588678461 /nfs/dbraw/zinc/67/84/61/588678461.db2.gz KQDJODHVZPLWPH-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1C=CCC1 ZINC000852511950 588687529 /nfs/dbraw/zinc/68/75/29/588687529.db2.gz VEDAXMLNNGTYOA-LBPRGKRZSA-N 1 2 248.330 1.633 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852584433 588692069 /nfs/dbraw/zinc/69/20/69/588692069.db2.gz NHCDEKNSFLUABY-AXFHLTTASA-N 1 2 241.331 1.221 20 0 BDADLO Cc1nonc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000852630430 588693086 /nfs/dbraw/zinc/69/30/86/588693086.db2.gz CVTRFQLUUATZBT-UHFFFAOYSA-N 1 2 249.314 1.713 20 0 BDADLO Cc1nonc1C[NH+]1CCC(c2ccon2)CC1 ZINC000852672747 588694886 /nfs/dbraw/zinc/69/48/86/588694886.db2.gz IJOFBTDQEYIODE-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)CC1=CCSC1 ZINC000852747767 588699495 /nfs/dbraw/zinc/69/94/95/588699495.db2.gz WNXVDLSBUHPWJC-UHFFFAOYSA-N 1 2 249.401 1.026 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)CC1=CCSC1 ZINC000852747767 588699496 /nfs/dbraw/zinc/69/94/96/588699496.db2.gz WNXVDLSBUHPWJC-UHFFFAOYSA-N 1 2 249.401 1.026 20 0 BDADLO CCONC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852778219 588701949 /nfs/dbraw/zinc/70/19/49/588701949.db2.gz IHSOYFCQOCSJQA-NSHDSACASA-N 1 2 220.272 1.289 20 0 BDADLO Cc1nocc1C(=O)OCCCc1[nH+]ccn1C ZINC000860683833 589114118 /nfs/dbraw/zinc/11/41/18/589114118.db2.gz MOHQZAXTVSPFKT-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO C[C@H]1CC(=O)CC[C@@H]1C(=O)OCC[NH+]1CCC1 ZINC000861388742 589163213 /nfs/dbraw/zinc/16/32/13/589163213.db2.gz OHCGCOZLKDUDEV-JQWIXIFHSA-N 1 2 239.315 1.241 20 0 BDADLO CC/C(C)=C\C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861762795 589176992 /nfs/dbraw/zinc/17/69/92/589176992.db2.gz FYFBAPIXGMYKBD-TWGQIWQCSA-N 1 2 219.288 1.651 20 0 BDADLO CC/C(C)=C\C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861762795 589176993 /nfs/dbraw/zinc/17/69/93/589176993.db2.gz FYFBAPIXGMYKBD-TWGQIWQCSA-N 1 2 219.288 1.651 20 0 BDADLO Cc1cc[nH]c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763129 589177388 /nfs/dbraw/zinc/17/73/88/589177388.db2.gz JVNBSTZKAWKFBH-UHFFFAOYSA-N 1 2 230.271 1.245 20 0 BDADLO Cc1cc[nH]c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763129 589177389 /nfs/dbraw/zinc/17/73/89/589177389.db2.gz JVNBSTZKAWKFBH-UHFFFAOYSA-N 1 2 230.271 1.245 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)C12CC(C1)C2 ZINC000861854889 589180954 /nfs/dbraw/zinc/18/09/54/589180954.db2.gz WLEBPMMDDFOYGA-XEVUQIKYSA-N 1 2 217.272 1.244 20 0 BDADLO COC[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000885808928 589193639 /nfs/dbraw/zinc/19/36/39/589193639.db2.gz RECBZVKLPJTMKL-JTQLQIEISA-N 1 2 239.319 1.367 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000862246066 589196765 /nfs/dbraw/zinc/19/67/65/589196765.db2.gz HUYNGINMITZFHL-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1c(F)nccc1C[N@@H+]1CCn2nncc2C1 ZINC000862403304 589209323 /nfs/dbraw/zinc/20/93/23/589209323.db2.gz XRRIJFFDXVFPCO-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1c(F)nccc1C[N@H+]1CCn2nncc2C1 ZINC000862403304 589209324 /nfs/dbraw/zinc/20/93/24/589209324.db2.gz XRRIJFFDXVFPCO-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO COC(=O)[C@@](C)(CCF)NCc1[nH]cc(C)[nH+]1 ZINC000862415678 589211415 /nfs/dbraw/zinc/21/14/15/589211415.db2.gz HEDFUEOFCGSDRY-LLVKDONJSA-N 1 2 243.282 1.099 20 0 BDADLO CC/C(C)=C(\C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971535 589249861 /nfs/dbraw/zinc/24/98/61/589249861.db2.gz UQWSCYOCBLITCE-HCRIHEDKSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C(\C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971535 589249862 /nfs/dbraw/zinc/24/98/62/589249862.db2.gz UQWSCYOCBLITCE-HCRIHEDKSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1C[C@@H]1C ZINC000863455432 589288545 /nfs/dbraw/zinc/28/85/45/589288545.db2.gz HNNBTZJVHXNZAC-DTWKUNHWSA-N 1 2 200.282 1.566 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1ccnc(F)c1 ZINC000863459256 589290014 /nfs/dbraw/zinc/29/00/14/589290014.db2.gz MXEVFZCDZSTMAB-SSDOTTSWSA-N 1 2 227.239 1.254 20 0 BDADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000863468347 589290620 /nfs/dbraw/zinc/29/06/20/589290620.db2.gz WIEUOABSWSWZHP-RKDXNWHRSA-N 1 2 214.309 1.956 20 0 BDADLO COC1(C(N)=[NH+]OC[C@@H]2C[C@@H]2C)CCOCC1 ZINC000863477127 589292339 /nfs/dbraw/zinc/29/23/39/589292339.db2.gz UMNCCSQYLYIBJS-UWVGGRQHSA-N 1 2 242.319 1.336 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccns1 ZINC000863607960 589303572 /nfs/dbraw/zinc/30/35/72/589303572.db2.gz HIEFTERAWFUHQG-QMMMGPOBSA-N 1 2 236.300 1.217 20 0 BDADLO CC[NH2+]Cc1noc([C@H](OCC)C2CC2)n1 ZINC000863656561 589308241 /nfs/dbraw/zinc/30/82/41/589308241.db2.gz PHPVQADKIPVLKT-SNVBAGLBSA-N 1 2 225.292 1.667 20 0 BDADLO CC(C)(C)C(F)(F)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000864074189 589339355 /nfs/dbraw/zinc/33/93/55/589339355.db2.gz UXLLGQQRHLUEDT-UHFFFAOYSA-N 1 2 245.273 1.750 20 0 BDADLO CC(C)(C)C(F)(F)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000864074189 589339357 /nfs/dbraw/zinc/33/93/57/589339357.db2.gz UXLLGQQRHLUEDT-UHFFFAOYSA-N 1 2 245.273 1.750 20 0 BDADLO CC[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000864084351 589341885 /nfs/dbraw/zinc/34/18/85/589341885.db2.gz JHLXMWOROSPKPM-LBPRGKRZSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@](C)(NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000864084351 589341887 /nfs/dbraw/zinc/34/18/87/589341887.db2.gz JHLXMWOROSPKPM-LBPRGKRZSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC(F)(F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000864082861 589341968 /nfs/dbraw/zinc/34/19/68/589341968.db2.gz SXUVNYZHAGGMKW-QMMMGPOBSA-N 1 2 243.257 1.598 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)CCCC1CC1 ZINC000864495940 589374802 /nfs/dbraw/zinc/37/48/02/589374802.db2.gz NRJLPUIPJZWPEI-UHFFFAOYSA-N 1 2 242.344 1.525 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000120244525 589397468 /nfs/dbraw/zinc/39/74/68/589397468.db2.gz VBYPBBZKFXCBCT-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000120244525 589397469 /nfs/dbraw/zinc/39/74/69/589397469.db2.gz VBYPBBZKFXCBCT-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000864867982 589398053 /nfs/dbraw/zinc/39/80/53/589398053.db2.gz QUNWEPJUAGNYIR-GHMZBOCLSA-N 1 2 235.331 1.682 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000864868550 589398991 /nfs/dbraw/zinc/39/89/91/589398991.db2.gz VWOJFMZASNVTEM-KXNHARMFSA-N 1 2 233.315 1.291 20 0 BDADLO Cc1occc1CN(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864989349 589403270 /nfs/dbraw/zinc/40/32/70/589403270.db2.gz VMCIOOZLKPPUFZ-NSHDSACASA-N 1 2 249.270 1.003 20 0 BDADLO CC(C)(C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864991319 589403612 /nfs/dbraw/zinc/40/36/12/589403612.db2.gz XMETZAAPZDJEEI-PLNGDYQASA-N 1 2 240.347 1.037 20 0 BDADLO CC[C@@H](C)N(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865081455 589407624 /nfs/dbraw/zinc/40/76/24/589407624.db2.gz BVKXETAAKGSZGW-FOQNGQEVSA-N 1 2 240.347 1.132 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865162358 589411983 /nfs/dbraw/zinc/41/19/83/589411983.db2.gz KUYVAWDPXZUZIU-FXPVBKGRSA-N 1 2 237.303 1.233 20 0 BDADLO CC[C@@H](C)NC(=S)N(C)Cc1[nH]cc[nH+]1 ZINC000865261808 589416833 /nfs/dbraw/zinc/41/68/33/589416833.db2.gz CXWMZXZVGCIDKJ-MRVPVSSYSA-N 1 2 226.349 1.515 20 0 BDADLO CCCn1cc(CNc2c[nH+]ccc2OC)nn1 ZINC000865289765 589419535 /nfs/dbraw/zinc/41/95/35/589419535.db2.gz VIAPRVXBZPHJQV-UHFFFAOYSA-N 1 2 247.302 1.704 20 0 BDADLO CC(C)(C)c1cn(C[C@@H]2CNC(=O)O2)c[nH+]1 ZINC000865376602 589428816 /nfs/dbraw/zinc/42/88/16/589428816.db2.gz VKPBQTSFLPRYCH-QMMMGPOBSA-N 1 2 223.276 1.289 20 0 BDADLO CC(C)Cc1cc(NCC[C@H](C)O)nc[nH+]1 ZINC000865538467 589444804 /nfs/dbraw/zinc/44/48/04/589444804.db2.gz ITJYPJJVOYFGOY-JTQLQIEISA-N 1 2 223.320 1.858 20 0 BDADLO OCc1ccc(NCc2cn(C3CC3)cn2)[nH+]c1 ZINC000865571984 589448156 /nfs/dbraw/zinc/44/81/56/589448156.db2.gz KCJKYJPAUAWJAQ-UHFFFAOYSA-N 1 2 244.298 1.717 20 0 BDADLO CC(C)Cc1cc(NCCn2ccnn2)nc[nH+]1 ZINC000865668542 589455443 /nfs/dbraw/zinc/45/54/43/589455443.db2.gz MJYVELAWCFTZRZ-UHFFFAOYSA-N 1 2 246.318 1.379 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2cnccn2)c1 ZINC000865668804 589455528 /nfs/dbraw/zinc/45/55/28/589455528.db2.gz QJOFIWSRGCXEAI-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CC1(C)CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000865771680 589461545 /nfs/dbraw/zinc/46/15/45/589461545.db2.gz MMHQNZVOUBPGEY-JTQLQIEISA-N 1 2 237.303 1.092 20 0 BDADLO C[C@H](O)c1ccc(NC[C@]2(C)CCC(=O)N2)[nH+]c1 ZINC000865866147 589465808 /nfs/dbraw/zinc/46/58/08/589465808.db2.gz GDHCFQNPCQWKSG-ZANVPECISA-N 1 2 249.314 1.216 20 0 BDADLO C[C@H](CCO)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000865912886 589468235 /nfs/dbraw/zinc/46/82/35/589468235.db2.gz XCAISMLXIVXFRK-ZJUUUORDSA-N 1 2 224.304 1.342 20 0 BDADLO C[C@@H](O)c1ccc(N(C)[C@H](C)CCO)[nH+]c1 ZINC000865912883 589468242 /nfs/dbraw/zinc/46/82/42/589468242.db2.gz XCAISMLXIVXFRK-NXEZZACHSA-N 1 2 224.304 1.342 20 0 BDADLO Cc1nsc(N[C@H]2CCC[N@H+](CCF)C2)n1 ZINC000865928418 589468528 /nfs/dbraw/zinc/46/85/28/589468528.db2.gz XJEKFKQXFMFTIQ-VIFPVBQESA-N 1 2 244.339 1.692 20 0 BDADLO Cc1nsc(N[C@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865928418 589468529 /nfs/dbraw/zinc/46/85/29/589468529.db2.gz XJEKFKQXFMFTIQ-VIFPVBQESA-N 1 2 244.339 1.692 20 0 BDADLO CC(C)Cc1cc(NC/C=C\CO)nc[nH+]1 ZINC000865936679 589469283 /nfs/dbraw/zinc/46/92/83/589469283.db2.gz OSEZYEDJVXREKN-ARJAWSKDSA-N 1 2 221.304 1.636 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@@H]2[C@@H](C)O)[nH+]c1 ZINC000865944456 589469669 /nfs/dbraw/zinc/46/96/69/589469669.db2.gz XQEZLKFBGOQDEZ-CKYFFXLPSA-N 1 2 236.315 1.485 20 0 BDADLO Cc1cc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nc[nH+]1 ZINC000866044420 589473770 /nfs/dbraw/zinc/47/37/70/589473770.db2.gz QFCWQFCQBCJNHI-STXZSOOUSA-N 1 2 231.299 1.620 20 0 BDADLO CO[C@H]1CC[C@H](C)N(c2cc[nH+]c(C)n2)C1 ZINC000866070685 589474793 /nfs/dbraw/zinc/47/47/93/589474793.db2.gz KNISPXSLHZSVIJ-ONGXEEELSA-N 1 2 221.304 1.789 20 0 BDADLO CC/C=C(/F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866744390 589517450 /nfs/dbraw/zinc/51/74/50/589517450.db2.gz LXRLBCADCLFJHJ-VZUCSPMQSA-N 1 2 239.294 1.995 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC(C2CCCC2)C1 ZINC000867927855 589540063 /nfs/dbraw/zinc/54/00/63/589540063.db2.gz QAHHVWLQMBFSQD-GFCCVEGCSA-N 1 2 249.314 1.092 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H](C2CC2)C1 ZINC000868394240 589556910 /nfs/dbraw/zinc/55/69/10/589556910.db2.gz XJZQLCMVDZORHY-CMPLNLGQSA-N 1 2 249.314 1.092 20 0 BDADLO CC(C)CONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868431149 589558376 /nfs/dbraw/zinc/55/83/76/589558376.db2.gz MBJKXSIMEYIQIN-UHFFFAOYSA-N 1 2 226.280 1.139 20 0 BDADLO CCN(CC(C)(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868490826 589560599 /nfs/dbraw/zinc/56/05/99/589560599.db2.gz JHQTYXMUHIHXIQ-JTQLQIEISA-N 1 2 239.319 1.338 20 0 BDADLO Cc1cc(F)ncc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000868506453 589561618 /nfs/dbraw/zinc/56/16/18/589561618.db2.gz LUXCJLCTGBMKPG-MRVPVSSYSA-N 1 2 248.261 1.743 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H]1C(F)F ZINC000868604535 589566964 /nfs/dbraw/zinc/56/69/64/589566964.db2.gz OEKNIYRCHUIVTN-SECBINFHSA-N 1 2 243.257 1.529 20 0 BDADLO CCOC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868620753 589568419 /nfs/dbraw/zinc/56/84/19/589568419.db2.gz IAIPFJJXSONGOV-VIFPVBQESA-N 1 2 237.303 1.259 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000868838446 589579122 /nfs/dbraw/zinc/57/91/22/589579122.db2.gz DYYJRBIGFSOILU-GWNIPJSYSA-N 1 2 247.342 1.371 20 0 BDADLO CC/C=C(/F)C(=O)NCCc1cn(C)c[nH+]1 ZINC000868838603 589579160 /nfs/dbraw/zinc/57/91/60/589579160.db2.gz KOXXAGQLHLKPKR-ONNFQVAWSA-N 1 2 225.267 1.342 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCC(=O)O2)cc(C)[nH+]1 ZINC000868911151 589582224 /nfs/dbraw/zinc/58/22/24/589582224.db2.gz ZYUYDSKAXOSZMN-LLVKDONJSA-N 1 2 248.282 1.020 20 0 BDADLO CN(C)c1cncc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000869958579 589639816 /nfs/dbraw/zinc/63/98/16/589639816.db2.gz HGPKDJHWCKYKMA-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO C/C=C/COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000122900337 589643103 /nfs/dbraw/zinc/64/31/03/589643103.db2.gz JCNPPRYBSVJQAQ-FSIBCCDJSA-N 1 2 229.345 1.543 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000870220391 589649972 /nfs/dbraw/zinc/64/99/72/589649972.db2.gz VSHVVKMWKHPTIS-QTKMDUPCSA-N 1 2 234.299 1.755 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871522152 589764279 /nfs/dbraw/zinc/76/42/79/589764279.db2.gz TVEFQYJCAVNFCA-TXEJJXNPSA-N 1 2 245.326 1.685 20 0 BDADLO C/C=C/C[S@](=O)Cc1[nH+]ccn1CC(F)F ZINC000871607025 589774647 /nfs/dbraw/zinc/77/46/47/589774647.db2.gz VOUXHMXOLGVEMM-KZSQQDEKSA-N 1 2 248.298 1.973 20 0 BDADLO c1c[nH+]c(COCc2nc3c(o2)CCCC3)[nH]1 ZINC000871663904 589784711 /nfs/dbraw/zinc/78/47/11/589784711.db2.gz OSWUDDYPDIZQFU-UHFFFAOYSA-N 1 2 233.271 1.993 20 0 BDADLO CO[C@H]1C[C@@H](CO[NH+]=C(N)COC(C)(C)C)C1 ZINC000871742186 589802847 /nfs/dbraw/zinc/80/28/47/589802847.db2.gz FDUIPFUHNREGEU-AOOOYVTPSA-N 1 2 244.335 1.725 20 0 BDADLO NC(COC1CCC1)=[NH+]OCc1cccnc1 ZINC000871778297 589813520 /nfs/dbraw/zinc/81/35/20/589813520.db2.gz BIJWOMISHPKERD-UHFFFAOYSA-N 1 2 235.287 1.649 20 0 BDADLO C[C@H]1OCC[C@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778633 589814368 /nfs/dbraw/zinc/81/43/68/589814368.db2.gz QTHMPWZHLVWROJ-ZJUUUORDSA-N 1 2 242.319 1.479 20 0 BDADLO CCOC1CC(O[NH+]=C(N)COC2CCC2)C1 ZINC000871778889 589815201 /nfs/dbraw/zinc/81/52/01/589815201.db2.gz WLELZOBHDWVKKK-UHFFFAOYSA-N 1 2 242.319 1.621 20 0 BDADLO C[C@H](Cn1c[nH+]c(C(C)(C)C)c1)S(C)(=O)=O ZINC000871989577 589854416 /nfs/dbraw/zinc/85/44/16/589854416.db2.gz PFLQDCFRLHFFPV-SECBINFHSA-N 1 2 244.360 1.614 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872216621 589895301 /nfs/dbraw/zinc/89/53/01/589895301.db2.gz ZAUCYERBGUUJKD-MRVPVSSYSA-N 1 2 225.279 1.143 20 0 BDADLO Cc1nonc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872270980 589903436 /nfs/dbraw/zinc/90/34/36/589903436.db2.gz HUVHRXDFRNKGGJ-SECBINFHSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1nonc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872270980 589903438 /nfs/dbraw/zinc/90/34/38/589903438.db2.gz HUVHRXDFRNKGGJ-SECBINFHSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872272782 589903786 /nfs/dbraw/zinc/90/37/86/589903786.db2.gz PIMSHFVNWHPZSF-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872272782 589903787 /nfs/dbraw/zinc/90/37/87/589903787.db2.gz PIMSHFVNWHPZSF-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)nc(N)[nH+]1 ZINC000872696165 589962550 /nfs/dbraw/zinc/96/25/50/589962550.db2.gz MSWWBOWWEUKYAF-KXUCPTDWSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)[nH+]1 ZINC000872696165 589962552 /nfs/dbraw/zinc/96/25/52/589962552.db2.gz MSWWBOWWEUKYAF-KXUCPTDWSA-N 1 2 249.318 1.132 20 0 BDADLO COC(=O)c1ccc(C[NH2+]C(CF)CF)n1C ZINC000873130112 589985492 /nfs/dbraw/zinc/98/54/92/589985492.db2.gz ZHJMVKSTMAOORZ-UHFFFAOYSA-N 1 2 246.257 1.209 20 0 BDADLO CCn1ncc(NCc2cn(C)c[nH+]2)c1C ZINC000873196576 589991154 /nfs/dbraw/zinc/99/11/54/589991154.db2.gz PTEOGPKXPFVBAA-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)C[C@H](C2CC2)O1 ZINC000873209878 589994792 /nfs/dbraw/zinc/99/47/92/589994792.db2.gz UZIFYRZKMMCLNV-BXKDBHETSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@H](C2CC2)O1 ZINC000873209878 589994795 /nfs/dbraw/zinc/99/47/95/589994795.db2.gz UZIFYRZKMMCLNV-BXKDBHETSA-N 1 2 248.330 1.058 20 0 BDADLO Nc1cnc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000873214053 589997153 /nfs/dbraw/zinc/99/71/53/589997153.db2.gz VZWXQCHHRPUIJQ-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO Nc1cnc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000873214053 589997155 /nfs/dbraw/zinc/99/71/55/589997155.db2.gz VZWXQCHHRPUIJQ-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO CCc1cc(NCc2ccn(C)n2)nc[nH+]1 ZINC000124821178 590091226 /nfs/dbraw/zinc/09/12/26/590091226.db2.gz OTCMEUKWRRQZAO-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO CCc1c[nH]c(CC(=O)N(CC)C(C)C)[nH+]1 ZINC000874110592 590091943 /nfs/dbraw/zinc/09/19/43/590091943.db2.gz JHQPIKFJEZGIJR-UHFFFAOYSA-N 1 2 223.320 1.772 20 0 BDADLO C[N@H+](CCO)Cc1cccnc1Br ZINC000876526097 590208187 /nfs/dbraw/zinc/20/81/87/590208187.db2.gz SPFPCYQHHNWSHE-UHFFFAOYSA-N 1 2 245.120 1.268 20 0 BDADLO C[N@@H+](CCO)Cc1cccnc1Br ZINC000876526097 590208189 /nfs/dbraw/zinc/20/81/89/590208189.db2.gz SPFPCYQHHNWSHE-UHFFFAOYSA-N 1 2 245.120 1.268 20 0 BDADLO CCCn1cc(C[N@@H+]2CCCO[C@H](C)C2)nn1 ZINC000876684302 590230280 /nfs/dbraw/zinc/23/02/80/590230280.db2.gz LYLZZFTTYNHTNB-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCCO[C@H](C)C2)nn1 ZINC000876684302 590230281 /nfs/dbraw/zinc/23/02/81/590230281.db2.gz LYLZZFTTYNHTNB-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876790709 590241618 /nfs/dbraw/zinc/24/16/18/590241618.db2.gz CISUZJWNUNIFOI-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876790709 590241619 /nfs/dbraw/zinc/24/16/19/590241619.db2.gz CISUZJWNUNIFOI-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000876915706 590256367 /nfs/dbraw/zinc/25/63/67/590256367.db2.gz YEVPNITYMZQLOX-ZCFIWIBFSA-N 1 2 220.103 1.693 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877185079 590298568 /nfs/dbraw/zinc/29/85/68/590298568.db2.gz PHULUHCAINOXQU-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877185079 590298570 /nfs/dbraw/zinc/29/85/70/590298570.db2.gz PHULUHCAINOXQU-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccns1 ZINC000877432058 590326373 /nfs/dbraw/zinc/32/63/73/590326373.db2.gz ANFZYDWFRNFTGG-LLVKDONJSA-N 1 2 238.312 1.425 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccns1 ZINC000877432058 590326375 /nfs/dbraw/zinc/32/63/75/590326375.db2.gz ANFZYDWFRNFTGG-LLVKDONJSA-N 1 2 238.312 1.425 20 0 BDADLO CCCn1cc(C[N@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000877487932 590338851 /nfs/dbraw/zinc/33/88/51/590338851.db2.gz XTRVXAVLAKLFSP-AOOOYVTPSA-N 1 2 208.309 1.671 20 0 BDADLO CCCn1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000877487932 590338852 /nfs/dbraw/zinc/33/88/52/590338852.db2.gz XTRVXAVLAKLFSP-AOOOYVTPSA-N 1 2 208.309 1.671 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cccnc1F ZINC000877489882 590339803 /nfs/dbraw/zinc/33/98/03/590339803.db2.gz XONKLICRYXOMTR-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO Cn1nncc1C[NH2+]Cc1nc2ccccc2o1 ZINC000877534627 590349833 /nfs/dbraw/zinc/34/98/33/590349833.db2.gz LSKWTSMOZRMSLR-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO Clc1ccc(C[NH+]2CC3(CC3)C2)nn1 ZINC000877555815 590356247 /nfs/dbraw/zinc/35/62/47/590356247.db2.gz CLCWZAQZKISJMY-UHFFFAOYSA-N 1 2 209.680 1.726 20 0 BDADLO COc1ncc(C[NH+]2CC3(CC3)C2)s1 ZINC000877557486 590357643 /nfs/dbraw/zinc/35/76/43/590357643.db2.gz SHOZVMPAIYBPTA-UHFFFAOYSA-N 1 2 210.302 1.748 20 0 BDADLO c1c(C[NH+]2CC3(CC3)C2)nnn1C[C@@H]1CCCO1 ZINC000877556735 590357793 /nfs/dbraw/zinc/35/77/93/590357793.db2.gz YMBVEUNXXHEXOE-LBPRGKRZSA-N 1 2 248.330 1.053 20 0 BDADLO Clc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000877586771 590367727 /nfs/dbraw/zinc/36/77/27/590367727.db2.gz ROUAURCJQNMBRU-IUCAKERBSA-N 1 2 241.747 1.820 20 0 BDADLO Clc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000877586771 590367729 /nfs/dbraw/zinc/36/77/29/590367729.db2.gz ROUAURCJQNMBRU-IUCAKERBSA-N 1 2 241.747 1.820 20 0 BDADLO C[C@@H](CCc1cccnc1)[NH2+]Cc1cn[nH]n1 ZINC000877648365 590384013 /nfs/dbraw/zinc/38/40/13/590384013.db2.gz FJQXRQGLSVSSGU-JTQLQIEISA-N 1 2 231.303 1.311 20 0 BDADLO CSC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000877663575 590388727 /nfs/dbraw/zinc/38/87/27/590388727.db2.gz VBVRTELFNBXINF-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000877682910 590391345 /nfs/dbraw/zinc/39/13/45/590391345.db2.gz VVVDPGJZWVVFCB-VHSXEESVSA-N 1 2 226.299 1.668 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH2+]C1(C)COC1 ZINC000877690995 590392345 /nfs/dbraw/zinc/39/23/45/590392345.db2.gz IGPVJRYNTPSBGQ-UHFFFAOYSA-N 1 2 229.711 1.260 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)no1 ZINC000877693678 590393003 /nfs/dbraw/zinc/39/30/03/590393003.db2.gz NSKMYRMWEKCPCZ-SVRRBLITSA-N 1 2 238.209 1.384 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877742383 590408716 /nfs/dbraw/zinc/40/87/16/590408716.db2.gz YWTGJHXQGOPBOZ-JQWIXIFHSA-N 1 2 237.372 1.903 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877742383 590408719 /nfs/dbraw/zinc/40/87/19/590408719.db2.gz YWTGJHXQGOPBOZ-JQWIXIFHSA-N 1 2 237.372 1.903 20 0 BDADLO Cc1conc1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000877944197 590454183 /nfs/dbraw/zinc/45/41/83/590454183.db2.gz VQGQVEBNGPHKGF-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO Cc1conc1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000877944197 590454184 /nfs/dbraw/zinc/45/41/84/590454184.db2.gz VQGQVEBNGPHKGF-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO C[C@@H]1COCCN1Cc1[nH+]ccn1CC(F)F ZINC000877953023 590455527 /nfs/dbraw/zinc/45/55/27/590455527.db2.gz FMBQBQXESXOVCI-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO Cc1conc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000877988705 590466935 /nfs/dbraw/zinc/46/69/35/590466935.db2.gz NBHMEDACTLHVHY-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1conc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000877988705 590466937 /nfs/dbraw/zinc/46/69/37/590466937.db2.gz NBHMEDACTLHVHY-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878044309 590478909 /nfs/dbraw/zinc/47/89/09/590478909.db2.gz MDNMXHCASOAZBB-GARJFASQSA-N 1 2 241.331 1.485 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@H](O)C(C)C ZINC000878043971 590479436 /nfs/dbraw/zinc/47/94/36/590479436.db2.gz GTFVHVMCUODRLJ-JTQLQIEISA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000878045404 590480490 /nfs/dbraw/zinc/48/04/90/590480490.db2.gz YXEHEMMYOPVODN-SNVBAGLBSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878129611 590502479 /nfs/dbraw/zinc/50/24/79/590502479.db2.gz QVHRIOQJAGIOMU-VIFPVBQESA-N 1 2 224.304 1.366 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878129611 590502482 /nfs/dbraw/zinc/50/24/82/590502482.db2.gz QVHRIOQJAGIOMU-VIFPVBQESA-N 1 2 224.304 1.366 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N=S(C)(C)=O)C(C)(C)C1 ZINC000878159259 590510407 /nfs/dbraw/zinc/51/04/07/590510407.db2.gz WDSIXKJCPHKQLU-VIFPVBQESA-N 1 2 246.376 1.361 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N=S(C)(C)=O)C(C)(C)C1 ZINC000878159259 590510409 /nfs/dbraw/zinc/51/04/09/590510409.db2.gz WDSIXKJCPHKQLU-VIFPVBQESA-N 1 2 246.376 1.361 20 0 BDADLO c1cn(C[C@@H]2CCC3(CCOCC3)CO2)c[nH+]1 ZINC000878208226 590523883 /nfs/dbraw/zinc/52/38/83/590523883.db2.gz SPTBBILRJAHKCH-LBPRGKRZSA-N 1 2 236.315 1.859 20 0 BDADLO CN(Cc1nc2c(o1)CCCC2)Cc1[nH]cc[nH+]1 ZINC000878315532 590541640 /nfs/dbraw/zinc/54/16/40/590541640.db2.gz QOKJZQZOTHWGOZ-UHFFFAOYSA-N 1 2 246.314 1.909 20 0 BDADLO C=C/C=C/CC[NH2+][C@](C)(COC)C(=O)OC ZINC000878333518 590548157 /nfs/dbraw/zinc/54/81/57/590548157.db2.gz WYPFVCOYJOOKFE-NNNHXZLVSA-N 1 2 227.304 1.286 20 0 BDADLO COC[C@](C)([NH2+]CCCC1CC1)C(=O)OC ZINC000878332313 590548463 /nfs/dbraw/zinc/54/84/63/590548463.db2.gz BHPIECHWUOXMOP-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO CC(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000878335560 590549707 /nfs/dbraw/zinc/54/97/07/590549707.db2.gz OXJBFDJIGUIAHJ-UHFFFAOYSA-N 1 2 244.335 1.374 20 0 BDADLO CC(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000878335560 590549709 /nfs/dbraw/zinc/54/97/09/590549709.db2.gz OXJBFDJIGUIAHJ-UHFFFAOYSA-N 1 2 244.335 1.374 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878341336 590552442 /nfs/dbraw/zinc/55/24/42/590552442.db2.gz WPVUZRLTLKMMED-VHSXEESVSA-N 1 2 246.376 1.504 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878341336 590552443 /nfs/dbraw/zinc/55/24/43/590552443.db2.gz WPVUZRLTLKMMED-VHSXEESVSA-N 1 2 246.376 1.504 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1ccccn1 ZINC000878372587 590555953 /nfs/dbraw/zinc/55/59/53/590555953.db2.gz CZWCDIOADONYCP-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1ccccn1 ZINC000878372587 590555955 /nfs/dbraw/zinc/55/59/55/590555955.db2.gz CZWCDIOADONYCP-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000878406383 590561411 /nfs/dbraw/zinc/56/14/11/590561411.db2.gz TWKDVEYVGYNAEL-RFAUZJTJSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1conc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000878406383 590561412 /nfs/dbraw/zinc/56/14/12/590561412.db2.gz TWKDVEYVGYNAEL-RFAUZJTJSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1coc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000878489809 590578904 /nfs/dbraw/zinc/57/89/04/590578904.db2.gz VCXHXLMVPFIVBJ-UHFFFAOYSA-N 1 2 234.299 1.508 20 0 BDADLO Cc1conc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000878509753 590584066 /nfs/dbraw/zinc/58/40/66/590584066.db2.gz VQVSPSGXPXCSPE-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1conc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000878509753 590584067 /nfs/dbraw/zinc/58/40/67/590584067.db2.gz VQVSPSGXPXCSPE-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000878533975 590588315 /nfs/dbraw/zinc/58/83/15/590588315.db2.gz CJOBEEWMVOIMQO-ZWNOBZJWSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000878533975 590588316 /nfs/dbraw/zinc/58/83/16/590588316.db2.gz CJOBEEWMVOIMQO-ZWNOBZJWSA-N 1 2 236.315 1.982 20 0 BDADLO C=C/C=C\CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000878539595 590588584 /nfs/dbraw/zinc/58/85/84/590588584.db2.gz QDAOYDGXGGGHDW-ARJAWSKDSA-N 1 2 248.330 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878545618 590589674 /nfs/dbraw/zinc/58/96/74/590589674.db2.gz BRBMRKQCCKZIJL-BJDJZHNGSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878545618 590589675 /nfs/dbraw/zinc/58/96/75/590589675.db2.gz BRBMRKQCCKZIJL-BJDJZHNGSA-N 1 2 241.331 1.437 20 0 BDADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(C)=O ZINC000878602275 590594690 /nfs/dbraw/zinc/59/46/90/590594690.db2.gz ZQSTZMDNIFJWIN-LLVKDONJSA-N 1 2 242.319 1.176 20 0 BDADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(C)=O ZINC000878602275 590594688 /nfs/dbraw/zinc/59/46/88/590594688.db2.gz ZQSTZMDNIFJWIN-LLVKDONJSA-N 1 2 242.319 1.176 20 0 BDADLO C[N@H+](Cc1nccn1CC(F)F)C1(CO)CC1 ZINC000878609927 590595695 /nfs/dbraw/zinc/59/56/95/590595695.db2.gz PAGFXHQBQFXJRR-UHFFFAOYSA-N 1 2 245.273 1.105 20 0 BDADLO C[N@@H+](Cc1nccn1CC(F)F)C1(CO)CC1 ZINC000878609927 590595696 /nfs/dbraw/zinc/59/56/96/590595696.db2.gz PAGFXHQBQFXJRR-UHFFFAOYSA-N 1 2 245.273 1.105 20 0 BDADLO c1cnc(CC[N@@H+]2Cc3ccncc3C2)cn1 ZINC000878609056 590596038 /nfs/dbraw/zinc/59/60/38/590596038.db2.gz MKLMVUCYLAIIRW-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1cnc(CC[N@H+]2Cc3ccncc3C2)cn1 ZINC000878609056 590596039 /nfs/dbraw/zinc/59/60/39/590596039.db2.gz MKLMVUCYLAIIRW-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677053 590607769 /nfs/dbraw/zinc/60/77/69/590607769.db2.gz BATXQVPGPFPZRL-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677053 590607771 /nfs/dbraw/zinc/60/77/71/590607771.db2.gz BATXQVPGPFPZRL-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678307 590608905 /nfs/dbraw/zinc/60/89/05/590608905.db2.gz SPKDKSQJWOVBME-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678307 590608906 /nfs/dbraw/zinc/60/89/06/590608906.db2.gz SPKDKSQJWOVBME-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO O=C(COC1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878687090 590610069 /nfs/dbraw/zinc/61/00/69/590610069.db2.gz MAGGBCLUVCXYTK-SNVBAGLBSA-N 1 2 249.314 1.295 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755379 590618605 /nfs/dbraw/zinc/61/86/05/590618605.db2.gz DQONETUJXXBOOD-QWHCGFSZSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755379 590618606 /nfs/dbraw/zinc/61/86/06/590618606.db2.gz DQONETUJXXBOOD-QWHCGFSZSA-N 1 2 246.310 1.577 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1C/C=C/Cl ZINC000878751307 590618769 /nfs/dbraw/zinc/61/87/69/590618769.db2.gz XGJHXSUUEHLIJN-RNWMEYJFSA-N 1 2 230.739 1.678 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1C/C=C/Cl ZINC000878751307 590618771 /nfs/dbraw/zinc/61/87/71/590618771.db2.gz XGJHXSUUEHLIJN-RNWMEYJFSA-N 1 2 230.739 1.678 20 0 BDADLO CCN1C[C@@H](C[N@@H+]2CCC=C(Cl)C2)OC1=O ZINC000878790588 590622439 /nfs/dbraw/zinc/62/24/39/590622439.db2.gz PIHQUWIKTRMUGZ-SNVBAGLBSA-N 1 2 244.722 1.656 20 0 BDADLO CCN1C[C@@H](C[N@H+]2CCC=C(Cl)C2)OC1=O ZINC000878790588 590622440 /nfs/dbraw/zinc/62/24/40/590622440.db2.gz PIHQUWIKTRMUGZ-SNVBAGLBSA-N 1 2 244.722 1.656 20 0 BDADLO O[C@@H](C[N@@H+]1CCC=C(Cl)C1)c1ccccn1 ZINC000878790957 590623492 /nfs/dbraw/zinc/62/34/92/590623492.db2.gz ZCWFUXFHDXWUBO-LBPRGKRZSA-N 1 2 238.718 1.943 20 0 BDADLO O[C@@H](C[N@H+]1CCC=C(Cl)C1)c1ccccn1 ZINC000878790957 590623495 /nfs/dbraw/zinc/62/34/95/590623495.db2.gz ZCWFUXFHDXWUBO-LBPRGKRZSA-N 1 2 238.718 1.943 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CCCC1CC1 ZINC000878810967 590626551 /nfs/dbraw/zinc/62/65/51/590626551.db2.gz BOIFOLKVHULJMK-CQSZACIVSA-N 1 2 249.358 1.984 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CCCC1CC1 ZINC000878810967 590626552 /nfs/dbraw/zinc/62/65/52/590626552.db2.gz BOIFOLKVHULJMK-CQSZACIVSA-N 1 2 249.358 1.984 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917619 590650475 /nfs/dbraw/zinc/65/04/75/590650475.db2.gz QSBYFJLCUHUWCS-SECBINFHSA-N 1 2 248.273 1.558 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917619 590650479 /nfs/dbraw/zinc/65/04/79/590650479.db2.gz QSBYFJLCUHUWCS-SECBINFHSA-N 1 2 248.273 1.558 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000878970066 590664743 /nfs/dbraw/zinc/66/47/43/590664743.db2.gz JANPMZYNDOEYKZ-CQSZACIVSA-N 1 2 249.310 1.522 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000878970066 590664750 /nfs/dbraw/zinc/66/47/50/590664750.db2.gz JANPMZYNDOEYKZ-CQSZACIVSA-N 1 2 249.310 1.522 20 0 BDADLO COC[C@H]1C[C@@H](NC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000879071128 590691348 /nfs/dbraw/zinc/69/13/48/590691348.db2.gz SGUJMSHTWYMWDB-KLPPZKSPSA-N 1 2 249.314 1.358 20 0 BDADLO COCC[C@@H](C)[N@@H+](C)Cc1cn[nH]c1C ZINC000879186362 590710095 /nfs/dbraw/zinc/71/00/95/590710095.db2.gz INQYDPALVOERPY-SECBINFHSA-N 1 2 211.309 1.575 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)no1 ZINC000879321715 590742679 /nfs/dbraw/zinc/74/26/79/590742679.db2.gz QUZAUVFDTFWSHN-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](OC)CC[C@H]2C)no1 ZINC000879321715 590742681 /nfs/dbraw/zinc/74/26/81/590742681.db2.gz QUZAUVFDTFWSHN-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO CN(CCCn1cc[nH+]c1)OCC(F)(F)F ZINC000879514669 590785784 /nfs/dbraw/zinc/78/57/84/590785784.db2.gz MZZISWVOWLAPHV-UHFFFAOYSA-N 1 2 237.225 1.699 20 0 BDADLO CC(C)(O)C1CC[NH+](Cc2cnon2)CC1 ZINC000879628411 590839355 /nfs/dbraw/zinc/83/93/55/590839355.db2.gz RMJJDEVVPRUPQA-UHFFFAOYSA-N 1 2 225.292 1.053 20 0 BDADLO CCOC(=O)C[NH2+]C(C)(C)C(O)(CC)CC ZINC000879696424 590851036 /nfs/dbraw/zinc/85/10/36/590851036.db2.gz FGVOINGYTVIAIA-UHFFFAOYSA-N 1 2 231.336 1.469 20 0 BDADLO C(C[N@@H+]1OC2CCC1CC2)C1OCCCO1 ZINC000879799234 590877155 /nfs/dbraw/zinc/87/71/55/590877155.db2.gz CKIVFMHFXWUIQY-UHFFFAOYSA-N 1 2 227.304 1.698 20 0 BDADLO C(C[N@H+]1OC2CCC1CC2)C1OCCCO1 ZINC000879799234 590877157 /nfs/dbraw/zinc/87/71/57/590877157.db2.gz CKIVFMHFXWUIQY-UHFFFAOYSA-N 1 2 227.304 1.698 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCCCO ZINC000879983566 590902469 /nfs/dbraw/zinc/90/24/69/590902469.db2.gz MLVZOUZXTACOLK-NSHDSACASA-N 1 2 229.320 1.080 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000879999633 590906873 /nfs/dbraw/zinc/90/68/73/590906873.db2.gz GRFWEORWDFPIPR-CBAPKCEASA-N 1 2 237.221 1.576 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000879999633 590906878 /nfs/dbraw/zinc/90/68/78/590906878.db2.gz GRFWEORWDFPIPR-CBAPKCEASA-N 1 2 237.221 1.576 20 0 BDADLO COCC1([N@H+](C)Cc2nnc(C)s2)CCC1 ZINC000880184741 590952561 /nfs/dbraw/zinc/95/25/61/590952561.db2.gz RFFFBTXCNOIJJK-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO COCC1([N@@H+](C)Cc2nnc(C)s2)CCC1 ZINC000880184741 590952563 /nfs/dbraw/zinc/95/25/63/590952563.db2.gz RFFFBTXCNOIJJK-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO FC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000880238741 590971313 /nfs/dbraw/zinc/97/13/13/590971313.db2.gz WQRUCGWMHAPJKB-QMMMGPOBSA-N 1 2 215.297 1.720 20 0 BDADLO FC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000880238741 590971314 /nfs/dbraw/zinc/97/13/14/590971314.db2.gz WQRUCGWMHAPJKB-QMMMGPOBSA-N 1 2 215.297 1.720 20 0 BDADLO O=C(C[NH+]1CCC(F)CC1)Nc1ccccn1 ZINC000880239352 590973206 /nfs/dbraw/zinc/97/32/06/590973206.db2.gz ZXRNHRVZOQGNOV-UHFFFAOYSA-N 1 2 237.278 1.454 20 0 BDADLO Cc1cc(C)c(CNC(=O)COC2CC2)c[nH+]1 ZINC000880240806 590974117 /nfs/dbraw/zinc/97/41/17/590974117.db2.gz MHNAZSZPPSLXND-UHFFFAOYSA-N 1 2 234.299 1.494 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CCC(F)CC2)no1 ZINC000880243447 590976866 /nfs/dbraw/zinc/97/68/66/590976866.db2.gz ISBDMZKZMUSKPM-UHFFFAOYSA-N 1 2 241.266 1.355 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@H](CF)C2)s1 ZINC000880294378 590989583 /nfs/dbraw/zinc/98/95/83/590989583.db2.gz VJQXHKYRERCFEJ-MRVPVSSYSA-N 1 2 245.323 1.728 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@H](CF)C2)s1 ZINC000880294378 590989586 /nfs/dbraw/zinc/98/95/86/590989586.db2.gz VJQXHKYRERCFEJ-MRVPVSSYSA-N 1 2 245.323 1.728 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccn2C)C1 ZINC000128337607 590999588 /nfs/dbraw/zinc/99/95/88/590999588.db2.gz WGYNHDYSDVDLDB-LLVKDONJSA-N 1 2 235.331 1.283 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccn2C)C1 ZINC000128337607 590999589 /nfs/dbraw/zinc/99/95/89/590999589.db2.gz WGYNHDYSDVDLDB-LLVKDONJSA-N 1 2 235.331 1.283 20 0 BDADLO COC(=O)c1ccc2c(c1)CC[N@@H+](CC(C)=O)C2 ZINC000880350571 591009736 /nfs/dbraw/zinc/00/97/36/591009736.db2.gz BNWBJIKKUQEBQX-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO COC(=O)c1ccc2c(c1)CC[N@H+](CC(C)=O)C2 ZINC000880350571 591009740 /nfs/dbraw/zinc/00/97/40/591009740.db2.gz BNWBJIKKUQEBQX-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1cnn(C)n1 ZINC000880377460 591016362 /nfs/dbraw/zinc/01/63/62/591016362.db2.gz WIXZKTUFFAPQAJ-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cnn(C)n1 ZINC000880377460 591016363 /nfs/dbraw/zinc/01/63/63/591016363.db2.gz WIXZKTUFFAPQAJ-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO CCc1nc(C[N@@H+]2CC=C[C@@H]2CO)cs1 ZINC000880484613 591058855 /nfs/dbraw/zinc/05/88/55/591058855.db2.gz RBTHIVFZTRODJW-SNVBAGLBSA-N 1 2 224.329 1.438 20 0 BDADLO CCc1nc(C[N@H+]2CC=C[C@@H]2CO)cs1 ZINC000880484613 591058858 /nfs/dbraw/zinc/05/88/58/591058858.db2.gz RBTHIVFZTRODJW-SNVBAGLBSA-N 1 2 224.329 1.438 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000880486322 591061674 /nfs/dbraw/zinc/06/16/74/591061674.db2.gz AOETVXQLUVMIJB-ZETCQYMHSA-N 1 2 230.720 1.529 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cnc(Cl)s1 ZINC000880486322 591061679 /nfs/dbraw/zinc/06/16/79/591061679.db2.gz AOETVXQLUVMIJB-ZETCQYMHSA-N 1 2 230.720 1.529 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000880487112 591062560 /nfs/dbraw/zinc/06/25/60/591062560.db2.gz WSJSQHMHGLXXEO-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000880487112 591062565 /nfs/dbraw/zinc/06/25/65/591062565.db2.gz WSJSQHMHGLXXEO-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000880488547 591063534 /nfs/dbraw/zinc/06/35/34/591063534.db2.gz HGILUGDXAAWVGP-NSHDSACASA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000880488547 591063541 /nfs/dbraw/zinc/06/35/41/591063541.db2.gz HGILUGDXAAWVGP-NSHDSACASA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000880494903 591073457 /nfs/dbraw/zinc/07/34/57/591073457.db2.gz VTALRYMFKICDLC-LLVKDONJSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cncc(Cl)c1 ZINC000880494903 591073459 /nfs/dbraw/zinc/07/34/59/591073459.db2.gz VTALRYMFKICDLC-LLVKDONJSA-N 1 2 224.691 1.468 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccns1 ZINC000880592315 591103770 /nfs/dbraw/zinc/10/37/70/591103770.db2.gz VAZGDBNGZZXDGY-JTQLQIEISA-N 1 2 241.360 1.475 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1ccns1 ZINC000880592315 591103773 /nfs/dbraw/zinc/10/37/73/591103773.db2.gz VAZGDBNGZZXDGY-JTQLQIEISA-N 1 2 241.360 1.475 20 0 BDADLO CCc1nocc1C[N@@H+]1CCc2ncncc2C1 ZINC000880599681 591108319 /nfs/dbraw/zinc/10/83/19/591108319.db2.gz OQPHDAFPCUWSJU-UHFFFAOYSA-N 1 2 244.298 1.585 20 0 BDADLO CCc1nocc1C[N@H+]1CCc2ncncc2C1 ZINC000880599681 591108322 /nfs/dbraw/zinc/10/83/22/591108322.db2.gz OQPHDAFPCUWSJU-UHFFFAOYSA-N 1 2 244.298 1.585 20 0 BDADLO Cc1cccn2c(NC(=O)COC3CC3)c[nH+]c12 ZINC000880703193 591124303 /nfs/dbraw/zinc/12/43/03/591124303.db2.gz RNHIXOZISPLHRY-UHFFFAOYSA-N 1 2 245.282 1.760 20 0 BDADLO Cn1cc[nH+]c1Cn1cc([C@H]2CCCCO2)nn1 ZINC000881226791 591174688 /nfs/dbraw/zinc/17/46/88/591174688.db2.gz XKNKLXNXKSADSR-LLVKDONJSA-N 1 2 247.302 1.302 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C(F)F ZINC000881276415 591178066 /nfs/dbraw/zinc/17/80/66/591178066.db2.gz DJZLXFAUGRGPIS-NKWVEPMBSA-N 1 2 244.245 1.281 20 0 BDADLO O=C1CCC[C@@H](c2cn(Cc3c[nH]c[nH+]3)nn2)C1 ZINC000881290002 591180866 /nfs/dbraw/zinc/18/08/66/591180866.db2.gz USEOBQGUNGSWSL-SECBINFHSA-N 1 2 245.286 1.276 20 0 BDADLO Cc1[nH+]cccc1Cn1cc([C@H](O)C2CC2)nn1 ZINC000881299012 591182965 /nfs/dbraw/zinc/18/29/65/591182965.db2.gz WBZFDXDZJHAZPK-CYBMUJFWSA-N 1 2 244.298 1.473 20 0 BDADLO Cc1cc(Cn2cc([C@@H]3CCOC3)nn2)cc[nH+]1 ZINC000881322336 591190173 /nfs/dbraw/zinc/19/01/73/591190173.db2.gz GIVCGPFIIHHCRU-GFCCVEGCSA-N 1 2 244.298 1.534 20 0 BDADLO Cc1ccc(Cn2cc([C@H](C)O)nn2)c(C)[nH+]1 ZINC000881327204 591192038 /nfs/dbraw/zinc/19/20/38/591192038.db2.gz GPUNORKUGYZJFB-JTQLQIEISA-N 1 2 232.287 1.392 20 0 BDADLO CC[C@@H](O)c1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000881327911 591193578 /nfs/dbraw/zinc/19/35/78/591193578.db2.gz YDMJKKRIUJVEBN-CYBMUJFWSA-N 1 2 246.314 1.782 20 0 BDADLO CC1(C)C[C@@]1(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000881544275 591236949 /nfs/dbraw/zinc/23/69/49/591236949.db2.gz WVKPFLDTRMMIOM-ZDUSSCGKSA-N 1 2 235.331 1.895 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000881564285 591240170 /nfs/dbraw/zinc/24/01/70/591240170.db2.gz QGVJHQCCCWTQQT-PCAWENJQSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000881566190 591240856 /nfs/dbraw/zinc/24/08/56/591240856.db2.gz VUSCILAZVNAPLF-MVZIDQBPSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C/CCNC(=O)CCc1c[nH+]cn1C ZINC000881568301 591242935 /nfs/dbraw/zinc/24/29/35/591242935.db2.gz NTAJMKZPDIHRST-SNAWJCMRSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H](CF)C1 ZINC000881666707 591261566 /nfs/dbraw/zinc/26/15/66/591261566.db2.gz DEHJEUWZPFVQGQ-SNVBAGLBSA-N 1 2 247.273 1.766 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H](CF)C1 ZINC000881667257 591262276 /nfs/dbraw/zinc/26/22/76/591262276.db2.gz IIIJGIYFEKHOLO-JTQLQIEISA-N 1 2 225.267 1.091 20 0 BDADLO CNC(=O)C1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000881781527 591271160 /nfs/dbraw/zinc/27/11/60/591271160.db2.gz WNCACAGHBDPGSO-UHFFFAOYSA-N 1 2 248.330 1.056 20 0 BDADLO Cc1[nH+]cnc(NCCCn2cncn2)c1C ZINC000881799409 591271766 /nfs/dbraw/zinc/27/17/66/591271766.db2.gz FFAAUBFXAINNCP-UHFFFAOYSA-N 1 2 232.291 1.187 20 0 BDADLO Cc1[nH+]cnc(NCC(C)(C)C(N)=O)c1C ZINC000881815812 591273079 /nfs/dbraw/zinc/27/30/79/591273079.db2.gz YSNDXGFJHFNPBR-UHFFFAOYSA-N 1 2 222.292 1.017 20 0 BDADLO Cc1cnc(C)c(-n2c[nH+]c(CCCO)c2)n1 ZINC000881953820 591283546 /nfs/dbraw/zinc/28/35/46/591283546.db2.gz IBFFXMVYWOKFHZ-UHFFFAOYSA-N 1 2 232.287 1.204 20 0 BDADLO CNC(=O)[C@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000881963598 591284039 /nfs/dbraw/zinc/28/40/39/591284039.db2.gz CFPDQJGCAJPEEQ-NSHDSACASA-N 1 2 248.330 1.056 20 0 BDADLO Cc1[nH+]cnc(NC[C@]2(C)CCOC2)c1C ZINC000881980107 591285114 /nfs/dbraw/zinc/28/51/14/591285114.db2.gz BAIDTWBCYHRGCR-LBPRGKRZSA-N 1 2 221.304 1.932 20 0 BDADLO CCCOc1ccnc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000881989058 591286142 /nfs/dbraw/zinc/28/61/42/591286142.db2.gz WJKUNGRTXGXRIG-UHFFFAOYSA-N 1 2 247.302 1.625 20 0 BDADLO Cc1ccc([C@H](O)CNc2cc(CO)cc[nH+]2)o1 ZINC000882009647 591287655 /nfs/dbraw/zinc/28/76/55/591287655.db2.gz BIDYESDVLHCUDN-LLVKDONJSA-N 1 2 248.282 1.621 20 0 BDADLO C[C@@](O)(CNc1cc[nH+]cc1F)c1ccco1 ZINC000882019509 591288341 /nfs/dbraw/zinc/28/83/41/591288341.db2.gz OJYGVEZGRPDDHN-GFCCVEGCSA-N 1 2 236.246 1.555 20 0 BDADLO O=C1CC2(CN1)CCN(c1cc[nH+]cc1F)CC2 ZINC000882040915 591291739 /nfs/dbraw/zinc/29/17/39/591291739.db2.gz BSILECZNVBUMJX-UHFFFAOYSA-N 1 2 249.289 1.327 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CC(=O)N(C3CC3)C2)c1C ZINC000882052547 591292273 /nfs/dbraw/zinc/29/22/73/591292273.db2.gz JEPOEBLMIOGKTO-SNVBAGLBSA-N 1 2 246.314 1.269 20 0 BDADLO CC1(O)CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000882057962 591293421 /nfs/dbraw/zinc/29/34/21/591293421.db2.gz JUEWKWXBAFFBAX-UHFFFAOYSA-N 1 2 236.315 1.679 20 0 BDADLO Cc1nnc([C@H](C)Nc2nc[nH+]c(C)c2C)o1 ZINC000882086911 591295389 /nfs/dbraw/zinc/29/53/89/591295389.db2.gz IOBJTRMUOSWUAL-QMMMGPOBSA-N 1 2 233.275 1.958 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@H]([C@@H](C)O)C2)c1C ZINC000882121447 591300839 /nfs/dbraw/zinc/30/08/39/591300839.db2.gz RYSFHUNAVZMXNC-NEPJUHHUSA-N 1 2 235.331 1.691 20 0 BDADLO O=Cc1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000882164816 591309462 /nfs/dbraw/zinc/30/94/62/591309462.db2.gz SZBADGMXGPNECX-SNVBAGLBSA-N 1 2 243.270 1.354 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)C[S@](C)=O)c1C ZINC000882177588 591311625 /nfs/dbraw/zinc/31/16/25/591311625.db2.gz HGQVGLGUKFGVNN-ZIDLFYJRSA-N 1 2 227.333 1.272 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](O)[C@@H](C)C2)c1C ZINC000882209401 591315811 /nfs/dbraw/zinc/31/58/11/591315811.db2.gz BAFVQXZYJDRGCD-GZMMTYOYSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1nnc(CCNc2nc[nH+]c(C)c2C)n1C ZINC000882244032 591320325 /nfs/dbraw/zinc/32/03/25/591320325.db2.gz LLDNDSHEWDDJFR-UHFFFAOYSA-N 1 2 246.318 1.185 20 0 BDADLO CCOC(CCNc1cc[nH+]cc1F)OCC ZINC000882241737 591320880 /nfs/dbraw/zinc/32/08/80/591320880.db2.gz MPIRJFZPUQJWCY-UHFFFAOYSA-N 1 2 242.294 1.844 20 0 BDADLO Cc1[nH+]cnc(N2CCC3(CCO3)CC2)c1C ZINC000882315465 591329322 /nfs/dbraw/zinc/32/93/22/591329322.db2.gz IJJKBMBKYUUMED-UHFFFAOYSA-N 1 2 233.315 1.853 20 0 BDADLO COCC[C@@H](COC)Nc1nc[nH+]c(C)c1C ZINC000882384446 591341824 /nfs/dbraw/zinc/34/18/24/591341824.db2.gz SCQQSFLJCVTSSD-NSHDSACASA-N 1 2 239.319 1.557 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)Cc2cnn(C)c2)c1C ZINC000882425819 591346524 /nfs/dbraw/zinc/34/65/24/591346524.db2.gz FQXAEKXCNKHLLY-SECBINFHSA-N 1 2 245.330 1.870 20 0 BDADLO CCn1nc(C)c(CNc2cc(CO)cc[nH+]2)n1 ZINC000882480559 591357551 /nfs/dbraw/zinc/35/75/51/591357551.db2.gz JHUPAWGFXHMNSX-UHFFFAOYSA-N 1 2 247.302 1.106 20 0 BDADLO COC(=O)C1(C)CN(c2nc[nH+]c(C)c2C)C1 ZINC000882486665 591360487 /nfs/dbraw/zinc/36/04/87/591360487.db2.gz UMGIBZPKNULELZ-UHFFFAOYSA-N 1 2 235.287 1.093 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H]3COC[C@]3(C)C2)c1C ZINC000882620086 591401860 /nfs/dbraw/zinc/40/18/60/591401860.db2.gz SOPQFLMIKMFQAQ-AAEUAGOBSA-N 1 2 233.315 1.566 20 0 BDADLO Cc1cncc(CCNc2nc[nH+]c(C)c2C)n1 ZINC000882622444 591401942 /nfs/dbraw/zinc/40/19/42/591401942.db2.gz DLZUUEMVXIFXAM-UHFFFAOYSA-N 1 2 243.314 1.846 20 0 BDADLO COC(=O)C1=CC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000882651815 591406976 /nfs/dbraw/zinc/40/69/76/591406976.db2.gz WGDFNYMWSICYHI-LLVKDONJSA-N 1 2 248.282 1.248 20 0 BDADLO Cc1[nH+]cnc(NCCC[C@H]2CCOC2=O)c1C ZINC000882715986 591419994 /nfs/dbraw/zinc/41/99/94/591419994.db2.gz XHDZBZOFOHVQSN-NSHDSACASA-N 1 2 249.314 1.849 20 0 BDADLO COCCNC(=S)Nc1ccc(C)[nH+]c1C ZINC000130102301 591437633 /nfs/dbraw/zinc/43/76/33/591437633.db2.gz HIQKBJIZAIPHCD-UHFFFAOYSA-N 1 2 239.344 1.631 20 0 BDADLO C[C@H](O)c1ccc(N2CCCO[C@H](C)C2)[nH+]c1 ZINC000213278610 591459185 /nfs/dbraw/zinc/45/91/85/591459185.db2.gz BOCFHNBEIYTLGM-MNOVXSKESA-N 1 2 236.315 1.750 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000130350935 591459445 /nfs/dbraw/zinc/45/94/45/591459445.db2.gz SUTHLVDDWWBCAT-CABZTGNLSA-N 1 2 249.314 1.913 20 0 BDADLO COC[C@H]1CCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000213305660 591460017 /nfs/dbraw/zinc/46/00/17/591460017.db2.gz HBENPYVDLSEYLT-MNOVXSKESA-N 1 2 236.315 1.608 20 0 BDADLO CCOCCN(CC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000213297373 591460348 /nfs/dbraw/zinc/46/03/48/591460348.db2.gz IHZMOPLGMKLGNT-LLVKDONJSA-N 1 2 238.331 1.998 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC[C@@H](O)C(C)C ZINC000882960844 591487564 /nfs/dbraw/zinc/48/75/64/591487564.db2.gz XQQLXLGUZUTZDM-SNVBAGLBSA-N 1 2 232.324 1.317 20 0 BDADLO Cc1ncc(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000882990524 591497506 /nfs/dbraw/zinc/49/75/06/591497506.db2.gz PHVSLEPOQJQOBC-VIFPVBQESA-N 1 2 225.248 1.160 20 0 BDADLO CCCOc1cccc(CO[NH+]=C(N)CO)c1 ZINC000883012330 591513007 /nfs/dbraw/zinc/51/30/07/591513007.db2.gz BSFHXVRPLGJHBS-UHFFFAOYSA-N 1 2 238.287 1.466 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)c1ccccc1C ZINC000883059308 591531289 /nfs/dbraw/zinc/53/12/89/591531289.db2.gz SINHLCSHRHNFFD-JTQLQIEISA-N 1 2 222.288 1.876 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(F)n2)no1 ZINC000883073625 591535785 /nfs/dbraw/zinc/53/57/85/591535785.db2.gz WHZWRDUSSNSXRK-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CC(C)c1c[nH]c(CN[C@H](C)c2ncnn2C)[nH+]1 ZINC000883101457 591540321 /nfs/dbraw/zinc/54/03/21/591540321.db2.gz JADPTEFIXKNJEA-SECBINFHSA-N 1 2 248.334 1.512 20 0 BDADLO CC(C)c1c[nH]c(CNc2cn(C)nn2)[nH+]1 ZINC000883145374 591551423 /nfs/dbraw/zinc/55/14/23/591551423.db2.gz YGDSUUSDXVVCFU-UHFFFAOYSA-N 1 2 220.280 1.274 20 0 BDADLO Cc1ncc(CNc2cc(CO)cc[nH+]2)s1 ZINC000883147846 591552658 /nfs/dbraw/zinc/55/26/58/591552658.db2.gz LBYRDJSLTNBMPM-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO CCn1cc(CNCc2[nH]cc(C(C)C)[nH+]2)nn1 ZINC000883167947 591559866 /nfs/dbraw/zinc/55/98/66/591559866.db2.gz LGVJJVWENVCFKN-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO C[C@@H](NC1(c2ncccn2)CCC1)c1[nH]cc[nH+]1 ZINC000883311887 591611241 /nfs/dbraw/zinc/61/12/41/591611241.db2.gz NQUJDTZEUWBYHL-SNVBAGLBSA-N 1 2 243.314 1.930 20 0 BDADLO Cc1c[nH]c(CNc2nn(C)cc2Cl)[nH+]1 ZINC000883372696 591634921 /nfs/dbraw/zinc/63/49/21/591634921.db2.gz KOEYKUNWEHEECC-UHFFFAOYSA-N 1 2 225.683 1.717 20 0 BDADLO C[C@@H](NCc1cn(C2CC2)c[nH+]1)C(F)F ZINC000883408318 591651088 /nfs/dbraw/zinc/65/10/88/591651088.db2.gz TVDRDAYDFHNCAB-SSDOTTSWSA-N 1 2 215.247 1.961 20 0 BDADLO CCCNc1cc(NCc2cnn(C)c2)nc[nH+]1 ZINC000132270702 591696899 /nfs/dbraw/zinc/69/68/99/591696899.db2.gz JUWLPYPYYTVKFA-UHFFFAOYSA-N 1 2 246.318 1.644 20 0 BDADLO CCCNc1cc(NCc2cnn(C)c2)[nH+]cn1 ZINC000132270702 591696902 /nfs/dbraw/zinc/69/69/02/591696902.db2.gz JUWLPYPYYTVKFA-UHFFFAOYSA-N 1 2 246.318 1.644 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000883669866 591714322 /nfs/dbraw/zinc/71/43/22/591714322.db2.gz SMKCUXRVJDECBC-RKDXNWHRSA-N 1 2 220.276 1.132 20 0 BDADLO COC(C)(C)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000133063994 591761683 /nfs/dbraw/zinc/76/16/83/591761683.db2.gz IXNGVITWBYDSIZ-SECBINFHSA-N 1 2 231.336 1.731 20 0 BDADLO C=C/C=C\CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000883918950 591773440 /nfs/dbraw/zinc/77/34/40/591773440.db2.gz CRLUKPBCHJUFOF-BYCRGOAPSA-N 1 2 246.314 1.239 20 0 BDADLO CCC(CC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800138340 591826882 /nfs/dbraw/zinc/82/68/82/591826882.db2.gz HAXFTJUZXROVOT-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCC(CC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800138340 591826885 /nfs/dbraw/zinc/82/68/85/591826885.db2.gz HAXFTJUZXROVOT-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133653047 591844981 /nfs/dbraw/zinc/84/49/81/591844981.db2.gz GUUBVFNKMNIXCJ-LLVKDONJSA-N 1 2 238.335 1.051 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133653047 591844982 /nfs/dbraw/zinc/84/49/82/591844982.db2.gz GUUBVFNKMNIXCJ-LLVKDONJSA-N 1 2 238.335 1.051 20 0 BDADLO CC[S@@](=O)CC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134561516 591938899 /nfs/dbraw/zinc/93/88/99/591938899.db2.gz SZHHLWXAQMCRIY-AYVTZFPOSA-N 1 2 229.349 1.137 20 0 BDADLO O=C1C[C@@H](C2CC2)CN1C[NH+]1CCSCC1 ZINC000134748861 591948699 /nfs/dbraw/zinc/94/86/99/591948699.db2.gz YKOVLVLSFDPTGC-LLVKDONJSA-N 1 2 240.372 1.251 20 0 BDADLO CCc1nc(N2CC(C)(COC)C2)cc[nH+]1 ZINC000884490792 591954706 /nfs/dbraw/zinc/95/47/06/591954706.db2.gz GZLXQDKFSYESEA-UHFFFAOYSA-N 1 2 221.304 1.512 20 0 BDADLO CCC[C@H](Nc1cc[nH+]c(CC)n1)C(N)=O ZINC000884507991 591959644 /nfs/dbraw/zinc/95/96/44/591959644.db2.gz RDRBDAZLNBCFAM-QMMMGPOBSA-N 1 2 222.292 1.105 20 0 BDADLO CCc1nc(NCc2nccn2CC)cc[nH+]1 ZINC000884519878 591964017 /nfs/dbraw/zinc/96/40/17/591964017.db2.gz GGGSWQSKTCOSKX-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO CCc1nc(NCCc2ccc(=O)[nH]c2)cc[nH+]1 ZINC000884547944 591975109 /nfs/dbraw/zinc/97/51/09/591975109.db2.gz YOGCNXPQCDLXLO-UHFFFAOYSA-N 1 2 244.298 1.794 20 0 BDADLO CCc1nc(N(C[C@H](C)O)C2CC2)cc[nH+]1 ZINC000884548211 591976246 /nfs/dbraw/zinc/97/62/46/591976246.db2.gz GEXJKBBVGHPBJU-VIFPVBQESA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(N[C@@H]2C[C@@H](C)n3ncnc32)cc[nH+]1 ZINC000884552481 591977358 /nfs/dbraw/zinc/97/73/58/591977358.db2.gz BGTVSGNXLQPGIS-RKDXNWHRSA-N 1 2 244.302 1.748 20 0 BDADLO CCc1nc(N[C@@H](CO)CC(C)C)cc[nH+]1 ZINC000884556642 591978648 /nfs/dbraw/zinc/97/86/48/591978648.db2.gz VVRPVZOBYIHIEM-SNVBAGLBSA-N 1 2 223.320 1.858 20 0 BDADLO CCc1nc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc[nH+]1 ZINC000884567323 591983415 /nfs/dbraw/zinc/98/34/15/591983415.db2.gz HNFXFYGPHKIHMQ-OPQQBVKSSA-N 1 2 233.315 1.389 20 0 BDADLO CCCCNc1cc(N2C[C@@H]3C[C@@H]3C2)nc(N)[nH+]1 ZINC000884590541 591989674 /nfs/dbraw/zinc/98/96/74/591989674.db2.gz YCNSWWUKEDMMLN-AOOOYVTPSA-N 1 2 247.346 1.727 20 0 BDADLO CCCCNc1cc(N2C[C@@H]3C[C@@H]3C2)[nH+]c(N)n1 ZINC000884590541 591989677 /nfs/dbraw/zinc/98/96/77/591989677.db2.gz YCNSWWUKEDMMLN-AOOOYVTPSA-N 1 2 247.346 1.727 20 0 BDADLO Cc1cc(N[C@]23C[C@H]2COC3)nc(C2CC2)[nH+]1 ZINC000884600998 591992312 /nfs/dbraw/zinc/99/23/12/591992312.db2.gz YMAHZEJZDNVGTB-GWCFXTLKSA-N 1 2 231.299 1.863 20 0 BDADLO c1cc(N[C@]23C[C@H]2COC3)nc(C2CC2)[nH+]1 ZINC000884600473 591992667 /nfs/dbraw/zinc/99/26/67/591992667.db2.gz CSNJXDHVYLWWMP-CABZTGNLSA-N 1 2 217.272 1.555 20 0 BDADLO COc1ccc[nH+]c1N1CCCn2nncc2C1 ZINC000884627501 591997406 /nfs/dbraw/zinc/99/74/06/591997406.db2.gz RSHVGFZRXTXTSM-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO CC(C)[N@H+](CC[C@@H]1CCOC1=O)CC(F)F ZINC000135397892 592011048 /nfs/dbraw/zinc/01/10/48/592011048.db2.gz NJPUBVUKVPKFRH-SECBINFHSA-N 1 2 235.274 1.915 20 0 BDADLO CC(C)[N@@H+](CC[C@@H]1CCOC1=O)CC(F)F ZINC000135397892 592011050 /nfs/dbraw/zinc/01/10/50/592011050.db2.gz NJPUBVUKVPKFRH-SECBINFHSA-N 1 2 235.274 1.915 20 0 BDADLO Cc1cc(N2CC[C@@H]([C@H]3CCCO3)C2)nc[nH+]1 ZINC000884730706 592015762 /nfs/dbraw/zinc/01/57/62/592015762.db2.gz MNJOOYUGFSKROZ-VXGBXAGGSA-N 1 2 233.315 1.790 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC(=O)[C@@H]1C ZINC000885058686 592041973 /nfs/dbraw/zinc/04/19/73/592041973.db2.gz MKZVTUYAVHFDFQ-UWVGGRQHSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC(=O)[C@@H]1C ZINC000885058686 592041975 /nfs/dbraw/zinc/04/19/75/592041975.db2.gz MKZVTUYAVHFDFQ-UWVGGRQHSA-N 1 2 249.314 1.168 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCC(=O)[C@@H]2C)[nH+]1 ZINC000885061924 592043554 /nfs/dbraw/zinc/04/35/54/592043554.db2.gz FNMMUEHYGKOTPS-VIFPVBQESA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H]1C(=O)CCCN1C(=O)CNc1cccc[nH+]1 ZINC000885063574 592043565 /nfs/dbraw/zinc/04/35/65/592043565.db2.gz POXNPENLEOPSSJ-SNVBAGLBSA-N 1 2 247.298 1.074 20 0 BDADLO C[C@H](CC(=O)N1CC(=O)CC[C@H]1C)n1cc[nH+]c1 ZINC000885075002 592046753 /nfs/dbraw/zinc/04/67/53/592046753.db2.gz XMKGYGRRUQUNOL-GHMZBOCLSA-N 1 2 249.314 1.414 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)nn1 ZINC000885755190 592098641 /nfs/dbraw/zinc/09/86/41/592098641.db2.gz DQQYFMSUVPFNKB-ZDUSSCGKSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)nn1 ZINC000885755190 592098644 /nfs/dbraw/zinc/09/86/44/592098644.db2.gz DQQYFMSUVPFNKB-ZDUSSCGKSA-N 1 2 245.330 1.963 20 0 BDADLO Cc1[nH]nc(CNC[C@@H](C)[N@H+](C)C2CC2)c1C ZINC000885971034 592118591 /nfs/dbraw/zinc/11/85/91/592118591.db2.gz OFLJWEHYWSAMLE-SECBINFHSA-N 1 2 236.363 1.599 20 0 BDADLO Cc1[nH]nc(CNC[C@@H](C)[N@@H+](C)C2CC2)c1C ZINC000885971034 592118593 /nfs/dbraw/zinc/11/85/93/592118593.db2.gz OFLJWEHYWSAMLE-SECBINFHSA-N 1 2 236.363 1.599 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@]12C[C@H]1CCC2 ZINC000885993432 592124378 /nfs/dbraw/zinc/12/43/78/592124378.db2.gz KAECCNZVBNIFMT-SKDRFNHKSA-N 1 2 219.288 1.259 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@]12C[C@H]1CCC2 ZINC000885995394 592124641 /nfs/dbraw/zinc/12/46/41/592124641.db2.gz ORDHIDJFQLJGAO-MFKMUULPSA-N 1 2 233.315 1.567 20 0 BDADLO O=S1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886005559 592128654 /nfs/dbraw/zinc/12/86/54/592128654.db2.gz DPUSJSMIDVLSHL-NWDGAFQWSA-N 1 2 243.372 1.008 20 0 BDADLO C[C@@](O)(C[NH+]1CCN(C2CCC2)CC1)C(F)F ZINC000886010376 592130226 /nfs/dbraw/zinc/13/02/26/592130226.db2.gz ICHKPPYURNMRDC-GFCCVEGCSA-N 1 2 248.317 1.173 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1C ZINC000886019580 592132618 /nfs/dbraw/zinc/13/26/18/592132618.db2.gz XECXCHHDKQTDRF-LLVKDONJSA-N 1 2 245.330 1.397 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H]2CCCc3cn[nH]c32)c1C ZINC000886023234 592134500 /nfs/dbraw/zinc/13/45/00/592134500.db2.gz NMDCILYLLZSJMK-NSHDSACASA-N 1 2 245.330 1.917 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H]2CCCc3c[nH]nc32)c1C ZINC000886023234 592134502 /nfs/dbraw/zinc/13/45/02/592134502.db2.gz NMDCILYLLZSJMK-NSHDSACASA-N 1 2 245.330 1.917 20 0 BDADLO C[C@@](O)(C[NH+]1CC(C(F)(F)F)C1)C(F)F ZINC000886075439 592144342 /nfs/dbraw/zinc/14/43/42/592144342.db2.gz FKKOPSINUOWMSU-SSDOTTSWSA-N 1 2 233.180 1.497 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2C[C@]23CCOC3)no1 ZINC000886116640 592157073 /nfs/dbraw/zinc/15/70/73/592157073.db2.gz MNOJYXWNQSCGKT-PWSUYJOCSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2C[C@]23CCOC3)no1 ZINC000886116640 592157075 /nfs/dbraw/zinc/15/70/75/592157075.db2.gz MNOJYXWNQSCGKT-PWSUYJOCSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1coc(C[NH2+][C@@H](CO)c2ccnn2C)c1 ZINC000886142894 592162862 /nfs/dbraw/zinc/16/28/62/592162862.db2.gz NKIGRJXFYOHUJD-NSHDSACASA-N 1 2 235.287 1.145 20 0 BDADLO Cc1[nH]nc(NCc2cn(C)c[nH+]2)c1C ZINC000886197739 592174138 /nfs/dbraw/zinc/17/41/38/592174138.db2.gz KLRFEEMCOHTRKE-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO Cc1c[nH]c(CNc2n[nH]c3c2COCC3)[nH+]1 ZINC000886204386 592175675 /nfs/dbraw/zinc/17/56/75/592175675.db2.gz DARCYEPIUSUTJW-UHFFFAOYSA-N 1 2 233.275 1.126 20 0 BDADLO FC1(F)COCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886207742 592176965 /nfs/dbraw/zinc/17/69/65/592176965.db2.gz LCYDQPKBUMWLKM-QWRGUYRKSA-N 1 2 247.285 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886207742 592176966 /nfs/dbraw/zinc/17/69/66/592176966.db2.gz LCYDQPKBUMWLKM-QWRGUYRKSA-N 1 2 247.285 1.381 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ncco1 ZINC000886273676 592193750 /nfs/dbraw/zinc/19/37/50/592193750.db2.gz DRGPWBYZTMUMAZ-NXEZZACHSA-N 1 2 221.304 1.562 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)CC1(F)F ZINC000886277569 592196175 /nfs/dbraw/zinc/19/61/75/592196175.db2.gz VPDSAUYZBIPXFD-AXFHLTTASA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)CC1(F)F ZINC000886277569 592196177 /nfs/dbraw/zinc/19/61/77/592196177.db2.gz VPDSAUYZBIPXFD-AXFHLTTASA-N 1 2 247.285 1.115 20 0 BDADLO CO[C@@H]1C[N@H+](CCOC2CCCCC2)CCO1 ZINC000886284212 592199841 /nfs/dbraw/zinc/19/98/41/592199841.db2.gz QIWHOXORFFSLJR-ZDUSSCGKSA-N 1 2 243.347 1.640 20 0 BDADLO CO[C@@H]1C[N@@H+](CCOC2CCCCC2)CCO1 ZINC000886284212 592199844 /nfs/dbraw/zinc/19/98/44/592199844.db2.gz QIWHOXORFFSLJR-ZDUSSCGKSA-N 1 2 243.347 1.640 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886348773 592214379 /nfs/dbraw/zinc/21/43/79/592214379.db2.gz SPSHYXUQNHCYNG-OCAPTIKFSA-N 1 2 238.312 1.381 20 0 BDADLO COC(=O)c1csc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886348773 592214382 /nfs/dbraw/zinc/21/43/82/592214382.db2.gz SPSHYXUQNHCYNG-OCAPTIKFSA-N 1 2 238.312 1.381 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cnon1 ZINC000886442495 592225772 /nfs/dbraw/zinc/22/57/72/592225772.db2.gz ZAOBRSFXBOSRGT-CYBMUJFWSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cnon1 ZINC000886442495 592225775 /nfs/dbraw/zinc/22/57/75/592225775.db2.gz ZAOBRSFXBOSRGT-CYBMUJFWSA-N 1 2 247.298 1.543 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ncco1 ZINC000886528738 592247832 /nfs/dbraw/zinc/24/78/32/592247832.db2.gz QAVGRCHIOCHELT-VIFPVBQESA-N 1 2 237.303 1.384 20 0 BDADLO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ncco1 ZINC000886533329 592248709 /nfs/dbraw/zinc/24/87/09/592248709.db2.gz YVWRYCGGIRFRIR-SECBINFHSA-N 1 2 246.332 1.150 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ncco1 ZINC000886538250 592253035 /nfs/dbraw/zinc/25/30/35/592253035.db2.gz FESJEXFQLOOXNO-RITPCOANSA-N 1 2 224.182 1.248 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+][C@@H]1CCc3cccnc31)CC2 ZINC000886615311 592275602 /nfs/dbraw/zinc/27/56/02/592275602.db2.gz CZDBBCKMYRUACR-VXGBXAGGSA-N 1 2 240.310 2.000 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1CCC1)C2 ZINC000886628824 592281000 /nfs/dbraw/zinc/28/10/00/592281000.db2.gz FXQOPUDSJBCLBM-UHFFFAOYSA-N 1 2 233.315 1.588 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1CCCC1)C2 ZINC000886629166 592281661 /nfs/dbraw/zinc/28/16/61/592281661.db2.gz VLODLGHRHGEGLX-UHFFFAOYSA-N 1 2 247.342 1.978 20 0 BDADLO CC(=O)C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886732362 592313305 /nfs/dbraw/zinc/31/33/05/592313305.db2.gz CRAVQYUJLGPSAV-UHFFFAOYSA-N 1 2 227.304 1.239 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CCC=C(C)C ZINC000887077584 592435032 /nfs/dbraw/zinc/43/50/32/592435032.db2.gz PECIXWLSMPBNKN-LLVKDONJSA-N 1 2 243.372 1.933 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CCC=C(C)C ZINC000887077584 592435034 /nfs/dbraw/zinc/43/50/34/592435034.db2.gz PECIXWLSMPBNKN-LLVKDONJSA-N 1 2 243.372 1.933 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1([C@H]2CCCCO2)CC1 ZINC000887088790 592438758 /nfs/dbraw/zinc/43/87/58/592438758.db2.gz MYRRKZLZSSPNRG-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO CCN(C)C(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100567 592441538 /nfs/dbraw/zinc/44/15/38/592441538.db2.gz HTZOBXGMCGBTBP-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CCN(C)C(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100567 592441539 /nfs/dbraw/zinc/44/15/39/592441539.db2.gz HTZOBXGMCGBTBP-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO C[C@@H](CO)C[N@H+](CC(F)F)C1CCC1 ZINC000887100734 592441755 /nfs/dbraw/zinc/44/17/55/592441755.db2.gz OGHVAUSAYCMKKT-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](CO)C[N@@H+](CC(F)F)C1CCC1 ZINC000887100734 592441757 /nfs/dbraw/zinc/44/17/57/592441757.db2.gz OGHVAUSAYCMKKT-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CN(C)C(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887099041 592441869 /nfs/dbraw/zinc/44/18/69/592441869.db2.gz OMRGCIGLJPTROM-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO CN(C)C(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887099041 592441871 /nfs/dbraw/zinc/44/18/71/592441871.db2.gz OMRGCIGLJPTROM-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO C[N@H+](CCCF)Cc1ncnn1CCF ZINC000887142726 592458982 /nfs/dbraw/zinc/45/89/82/592458982.db2.gz XSITXENOEKBCKQ-UHFFFAOYSA-N 1 2 218.251 1.039 20 0 BDADLO C[N@@H+](CCCF)Cc1ncnn1CCF ZINC000887142726 592458986 /nfs/dbraw/zinc/45/89/86/592458986.db2.gz XSITXENOEKBCKQ-UHFFFAOYSA-N 1 2 218.251 1.039 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC000887238846 592470348 /nfs/dbraw/zinc/47/03/48/592470348.db2.gz WGASDFURTHYOSP-JTQLQIEISA-N 1 2 237.303 1.660 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC000887238846 592470350 /nfs/dbraw/zinc/47/03/50/592470350.db2.gz WGASDFURTHYOSP-JTQLQIEISA-N 1 2 237.303 1.660 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887326437 592481382 /nfs/dbraw/zinc/48/13/82/592481382.db2.gz BYTIIZVGTWQBKW-IMRBUKKESA-N 1 2 236.359 1.981 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887326437 592481383 /nfs/dbraw/zinc/48/13/83/592481383.db2.gz BYTIIZVGTWQBKW-IMRBUKKESA-N 1 2 236.359 1.981 20 0 BDADLO Cn1ccc(C[N@H+](Cc2ccccn2)C2CC2)n1 ZINC000336727909 592520365 /nfs/dbraw/zinc/52/03/65/592520365.db2.gz MLKAZXUNRIIJBN-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1ccc(C[N@@H+](Cc2ccccn2)C2CC2)n1 ZINC000336727909 592520367 /nfs/dbraw/zinc/52/03/67/592520367.db2.gz MLKAZXUNRIIJBN-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H]3C[C@@H]3C2)cc[nH+]1 ZINC000887933745 592560853 /nfs/dbraw/zinc/56/08/53/592560853.db2.gz DSXOEZFLRIHBJO-AOOOYVTPSA-N 1 2 217.272 1.296 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@@H]2C)c(C)c[nH+]1 ZINC000887935811 592561226 /nfs/dbraw/zinc/56/12/26/592561226.db2.gz KLIWJBOXCKLNFZ-KOLCDFICSA-N 1 2 233.315 1.992 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889601953 592626715 /nfs/dbraw/zinc/62/67/15/592626715.db2.gz AEOPBBFZHIMTPQ-MVWJERBFSA-N 1 2 233.315 1.267 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@H](C)CO2)cc[nH+]1 ZINC000889792525 592653920 /nfs/dbraw/zinc/65/39/20/592653920.db2.gz BHRONVYPSZPESC-GZMMTYOYSA-N 1 2 220.272 1.175 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@@H](C)CO2)c(C)c[nH+]1 ZINC000889792748 592654364 /nfs/dbraw/zinc/65/43/64/592654364.db2.gz LVYQMYMIAYTAHA-PRHODGIISA-N 1 2 234.299 1.484 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@]2(C)C=CCC2)c1 ZINC000890100079 592679459 /nfs/dbraw/zinc/67/94/59/592679459.db2.gz GWZRDFQSMZEVEA-LBPRGKRZSA-N 1 2 219.288 1.393 20 0 BDADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)ccn1 ZINC000890106704 592681134 /nfs/dbraw/zinc/68/11/34/592681134.db2.gz BEFDYDCYKLDAAU-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cc1sccc1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890107041 592681333 /nfs/dbraw/zinc/68/13/33/592681333.db2.gz HBKOSFICXTUXQV-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC3CCC2CC3)c1 ZINC000890108246 592682464 /nfs/dbraw/zinc/68/24/64/592682464.db2.gz WHEUJHSXAKZZKY-XIVSLSHWSA-N 1 2 247.342 1.863 20 0 BDADLO CCC1(C(=O)NCc2cn(C)c[nH+]2)CCC1 ZINC000890110838 592683719 /nfs/dbraw/zinc/68/37/19/592683719.db2.gz WUHGQQWOWGNHQQ-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)C(F)(F)F ZINC000890110429 592684216 /nfs/dbraw/zinc/68/42/16/592684216.db2.gz PAPMUTPJDVGTHP-ZCFIWIBFSA-N 1 2 235.209 1.235 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC23CCC3)c1 ZINC000890110443 592684374 /nfs/dbraw/zinc/68/43/74/592684374.db2.gz PTQSBEQPLMHIKJ-JTQLQIEISA-N 1 2 219.288 1.227 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2cccs2)c1 ZINC000890117168 592685646 /nfs/dbraw/zinc/68/56/46/592685646.db2.gz IHABOKIVVJZTOT-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114709 592685841 /nfs/dbraw/zinc/68/58/41/592685841.db2.gz VSCGRCUPVFISHR-JTQLQIEISA-N 1 2 239.319 1.242 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)cc1C ZINC000890119979 592686451 /nfs/dbraw/zinc/68/64/51/592686451.db2.gz RFBODJVRDJBSJR-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CC(C)(NC(=O)OCCF)c1[nH]cc[nH+]1 ZINC000826540332 592703925 /nfs/dbraw/zinc/70/39/25/592703925.db2.gz XMASYQDMESWULI-UHFFFAOYSA-N 1 2 215.228 1.341 20 0 BDADLO CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)[O-] ZINC000049555713 598215719 /nfs/dbraw/zinc/21/57/19/598215719.db2.gz MOOSAKWDRKQWJI-QWRGUYRKSA-N 1 2 230.352 1.416 20 0 BDADLO C(=Cc1ccc(-c2nn[nH]n2)cn1)c1[nH]cc[nH+]1 ZINC000735399249 598531222 /nfs/dbraw/zinc/53/12/22/598531222.db2.gz JUDWYFGVYGWHLR-ONEGZZNKSA-N 1 2 239.242 1.155 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000381224162 601007311 /nfs/dbraw/zinc/00/73/11/601007311.db2.gz JJKGQLQBCNBOIH-DTWKUNHWSA-N 1 2 223.276 1.062 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000381224162 601007314 /nfs/dbraw/zinc/00/73/14/601007314.db2.gz JJKGQLQBCNBOIH-DTWKUNHWSA-N 1 2 223.276 1.062 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000381224164 601006930 /nfs/dbraw/zinc/00/69/30/601006930.db2.gz JJKGQLQBCNBOIH-RKDXNWHRSA-N 1 2 223.276 1.062 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000381224164 601006933 /nfs/dbraw/zinc/00/69/33/601006933.db2.gz JJKGQLQBCNBOIH-RKDXNWHRSA-N 1 2 223.276 1.062 20 0 BDADLO C[C@@]1(C(=O)[O-])CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000062934972 605057134 /nfs/dbraw/zinc/05/71/34/605057134.db2.gz SUMOWQKDTDQORZ-GFCCVEGCSA-N 1 2 237.303 1.070 20 0 BDADLO C[C@@]1(C(=O)[O-])CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000062934972 605057140 /nfs/dbraw/zinc/05/71/40/605057140.db2.gz SUMOWQKDTDQORZ-GFCCVEGCSA-N 1 2 237.303 1.070 20 0 BDADLO CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000194605363 634400360 /nfs/dbraw/zinc/40/03/60/634400360.db2.gz XKJNRWIKCTXXJX-UHFFFAOYSA-N 1 2 244.298 1.644 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ncn(C)n1 ZINC000313558236 634483835 /nfs/dbraw/zinc/48/38/35/634483835.db2.gz LCKZZBUCDIIVTP-PWSUYJOCSA-N 1 2 246.314 1.199 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980655588 635250563 /nfs/dbraw/zinc/25/05/63/635250563.db2.gz CKRWVXDRUPCSCV-GHMZBOCLSA-N 1 2 228.311 1.146 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980655588 635250570 /nfs/dbraw/zinc/25/05/70/635250570.db2.gz CKRWVXDRUPCSCV-GHMZBOCLSA-N 1 2 228.311 1.146 20 0 BDADLO C[C@H](C(=O)N1CCC[N@@H+](CCF)CC1)C1CC1 ZINC000980916172 635299241 /nfs/dbraw/zinc/29/92/41/635299241.db2.gz NTLIDPLPBORZTN-NSHDSACASA-N 1 2 242.338 1.536 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1O)C(=O)OC(C)(C)C ZINC000090815253 631235681 /nfs/dbraw/zinc/23/56/81/631235681.db2.gz GIIXIAYEYKYUOH-MXWKQRLJSA-N 1 2 243.347 1.467 20 0 BDADLO CC(C)=CC[NH+]1CCN(C(=O)c2cnco2)CC1 ZINC000949537213 631289147 /nfs/dbraw/zinc/28/91/47/631289147.db2.gz GIJGRWVZIXKJCK-UHFFFAOYSA-N 1 2 249.314 1.399 20 0 BDADLO CC[C@H](C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000308395830 631308303 /nfs/dbraw/zinc/30/83/03/631308303.db2.gz ZNKTXLCJCBAWDL-VIFPVBQESA-N 1 2 221.304 1.716 20 0 BDADLO CC(C)=CC(=O)NCc1ccc(N)[nH+]c1 ZINC000308381447 631314703 /nfs/dbraw/zinc/31/47/03/631314703.db2.gz UQVUIWOJSDLZJH-UHFFFAOYSA-N 1 2 205.261 1.246 20 0 BDADLO CC[N@H+](CCO)Cc1nccn1C1CC1 ZINC000891451256 631353784 /nfs/dbraw/zinc/35/37/84/631353784.db2.gz PLMJWAFEPBZCDQ-UHFFFAOYSA-N 1 2 209.293 1.032 20 0 BDADLO CC[N@@H+](CCO)Cc1nccn1C1CC1 ZINC000891451256 631353788 /nfs/dbraw/zinc/35/37/88/631353788.db2.gz PLMJWAFEPBZCDQ-UHFFFAOYSA-N 1 2 209.293 1.032 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccc(=O)[nH]2)n(C)n1 ZINC000933401228 631364135 /nfs/dbraw/zinc/36/41/35/631364135.db2.gz KDSSXNLKFHULFF-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccc(=O)[nH]2)n(C)n1 ZINC000933401228 631364142 /nfs/dbraw/zinc/36/41/42/631364142.db2.gz KDSSXNLKFHULFF-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO CSCC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933528472 631393890 /nfs/dbraw/zinc/39/38/90/631393890.db2.gz NLJVUWYKPQRGQM-LLVKDONJSA-N 1 2 241.360 1.156 20 0 BDADLO CSCC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933528472 631393894 /nfs/dbraw/zinc/39/38/94/631393894.db2.gz NLJVUWYKPQRGQM-LLVKDONJSA-N 1 2 241.360 1.156 20 0 BDADLO CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000082298606 631402836 /nfs/dbraw/zinc/40/28/36/631402836.db2.gz VCXGTARTMLMBPQ-UHFFFAOYSA-N 1 2 203.245 1.474 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCCC1 ZINC000082301300 631403190 /nfs/dbraw/zinc/40/31/90/631403190.db2.gz BQXXQBGQIVASSV-UHFFFAOYSA-N 1 2 229.283 1.960 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094369902 631577629 /nfs/dbraw/zinc/57/76/29/631577629.db2.gz SDTTUXJMHMTHHK-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H]2CO)nc1Cl ZINC000934013970 631593667 /nfs/dbraw/zinc/59/36/67/631593667.db2.gz YKDKQNHTUHWANH-SNVBAGLBSA-N 1 2 226.707 1.610 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H]2CO)nc1Cl ZINC000934013970 631593677 /nfs/dbraw/zinc/59/36/77/631593677.db2.gz YKDKQNHTUHWANH-SNVBAGLBSA-N 1 2 226.707 1.610 20 0 BDADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1CO ZINC000934026746 631604579 /nfs/dbraw/zinc/60/45/79/631604579.db2.gz NQSXRKUQZJXNBT-LLVKDONJSA-N 1 2 241.718 1.915 20 0 BDADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@@H]1CO ZINC000934026746 631604586 /nfs/dbraw/zinc/60/45/86/631604586.db2.gz NQSXRKUQZJXNBT-LLVKDONJSA-N 1 2 241.718 1.915 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H]2CO)s1 ZINC000934026485 631605006 /nfs/dbraw/zinc/60/50/06/631605006.db2.gz NHBRKUKHZSAJQI-MRVPVSSYSA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H]2CO)s1 ZINC000934026485 631605009 /nfs/dbraw/zinc/60/50/09/631605009.db2.gz NHBRKUKHZSAJQI-MRVPVSSYSA-N 1 2 241.312 1.101 20 0 BDADLO Cc1cccc2nc(C[N@@H+]3CC[C@@H]3CO)cn21 ZINC000934023411 631624306 /nfs/dbraw/zinc/62/43/06/631624306.db2.gz HLGFKLLZYHGHMJ-GFCCVEGCSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1cccc2nc(C[N@H+]3CC[C@@H]3CO)cn21 ZINC000934023411 631624312 /nfs/dbraw/zinc/62/43/12/631624312.db2.gz HLGFKLLZYHGHMJ-GFCCVEGCSA-N 1 2 231.299 1.209 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ncc(C)o1 ZINC000934039081 631637402 /nfs/dbraw/zinc/63/74/02/631637402.db2.gz NUAOSRQNSLERJY-HBNTYKKESA-N 1 2 240.303 1.438 20 0 BDADLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CCCNC1=O ZINC000924874006 635686564 /nfs/dbraw/zinc/68/65/64/635686564.db2.gz VHEDKVUAUZNJSB-ZJUUUORDSA-N 1 2 249.314 1.229 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124370 631700845 /nfs/dbraw/zinc/70/08/45/631700845.db2.gz HNIYFPUWMJUQFE-VHSXEESVSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000934124370 631700848 /nfs/dbraw/zinc/70/08/48/631700848.db2.gz HNIYFPUWMJUQFE-VHSXEESVSA-N 1 2 237.303 1.556 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934126203 631704325 /nfs/dbraw/zinc/70/43/25/631704325.db2.gz UOURASHNAKRINU-AEJSXWLSSA-N 1 2 239.319 1.802 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934126203 631704327 /nfs/dbraw/zinc/70/43/27/631704327.db2.gz UOURASHNAKRINU-AEJSXWLSSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nccn1C(F)F ZINC000934123524 631704849 /nfs/dbraw/zinc/70/48/49/631704849.db2.gz LRDQDGDWSDWLPM-IUCAKERBSA-N 1 2 245.273 1.887 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nccn1C(F)F ZINC000934123524 631704854 /nfs/dbraw/zinc/70/48/54/631704854.db2.gz LRDQDGDWSDWLPM-IUCAKERBSA-N 1 2 245.273 1.887 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]CCF)nn1 ZINC000926347803 631726933 /nfs/dbraw/zinc/72/69/33/631726933.db2.gz IXNGGTITVKHKKI-MRVPVSSYSA-N 1 2 200.261 1.479 20 0 BDADLO Cc1nc(N[C@H]2CCC2(C)C)nc(N)[nH+]1 ZINC000308822511 631836270 /nfs/dbraw/zinc/83/62/70/631836270.db2.gz GXTBNJXYYDBFPO-ZETCQYMHSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC2(C)C)[nH+]1 ZINC000308822511 631836276 /nfs/dbraw/zinc/83/62/76/631836276.db2.gz GXTBNJXYYDBFPO-ZETCQYMHSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@]2(C)C2CC2)cn1 ZINC000934478926 631870992 /nfs/dbraw/zinc/87/09/92/631870992.db2.gz OICZOFQSZPQWPV-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@]2(C)C2CC2)cn1 ZINC000934478926 631870994 /nfs/dbraw/zinc/87/09/94/631870994.db2.gz OICZOFQSZPQWPV-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC(OC)CC1 ZINC000049956558 631917299 /nfs/dbraw/zinc/91/72/99/631917299.db2.gz NZFUGRVIXUUYEC-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2cncs2)C[C@H]1F ZINC000934563632 631928686 /nfs/dbraw/zinc/92/86/86/631928686.db2.gz FPOTXLYOXAPALN-NXEZZACHSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2cncs2)C[C@H]1F ZINC000934563632 631928690 /nfs/dbraw/zinc/92/86/90/631928690.db2.gz FPOTXLYOXAPALN-NXEZZACHSA-N 1 2 230.308 1.090 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934567370 631934909 /nfs/dbraw/zinc/93/49/09/631934909.db2.gz PZXDGJQTJQSHPQ-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cnccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934567370 631934912 /nfs/dbraw/zinc/93/49/12/631934912.db2.gz PZXDGJQTJQSHPQ-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934578003 631949952 /nfs/dbraw/zinc/94/99/52/631949952.db2.gz YREIKNKMBMRKNQ-JLLWLGSASA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934578003 631949957 /nfs/dbraw/zinc/94/99/57/631949957.db2.gz YREIKNKMBMRKNQ-JLLWLGSASA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934578005 631950820 /nfs/dbraw/zinc/95/08/20/631950820.db2.gz YREIKNKMBMRKNQ-USWWRNFRSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934578005 631950827 /nfs/dbraw/zinc/95/08/27/631950827.db2.gz YREIKNKMBMRKNQ-USWWRNFRSA-N 1 2 224.279 1.547 20 0 BDADLO C/C=C/C=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000309283322 631992899 /nfs/dbraw/zinc/99/28/99/631992899.db2.gz NXPCRMOQEAWCHC-IAROGAJJSA-N 1 2 218.256 1.839 20 0 BDADLO CC(F)(F)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000309292402 631993628 /nfs/dbraw/zinc/99/36/28/631993628.db2.gz QNFIALCXUCKCQZ-UHFFFAOYSA-N 1 2 230.214 1.752 20 0 BDADLO CC(C)OCCC[NH2+][C@@]1(C)CCOC1=O ZINC000308886399 632084458 /nfs/dbraw/zinc/08/44/58/632084458.db2.gz VZBKAWABOHEZRU-NSHDSACASA-N 1 2 215.293 1.097 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H](C)O1 ZINC000251948719 635707159 /nfs/dbraw/zinc/70/71/59/635707159.db2.gz VFHJSTOWGOBVDI-OKWQPMOJSA-N 1 2 219.712 1.475 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H](C)O1 ZINC000251948719 635707162 /nfs/dbraw/zinc/70/71/62/635707162.db2.gz VFHJSTOWGOBVDI-OKWQPMOJSA-N 1 2 219.712 1.475 20 0 BDADLO CO[C@H](C[NH2+]Cc1cscn1)C(F)(F)F ZINC000308930705 632491661 /nfs/dbraw/zinc/49/16/61/632491661.db2.gz JLXHPOHJMWBAEO-SSDOTTSWSA-N 1 2 240.250 1.810 20 0 BDADLO CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)CC1(C)C ZINC000972701255 632629421 /nfs/dbraw/zinc/62/94/21/632629421.db2.gz APJZTWHDURVNQL-LLVKDONJSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)CC1(C)C ZINC000972701255 632629430 /nfs/dbraw/zinc/62/94/30/632629430.db2.gz APJZTWHDURVNQL-LLVKDONJSA-N 1 2 237.303 1.021 20 0 BDADLO COCc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923777717 632799499 /nfs/dbraw/zinc/79/94/99/632799499.db2.gz RZYXBYCXSBVEID-RNFRBKRXSA-N 1 2 220.232 1.210 20 0 BDADLO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000892515355 632869260 /nfs/dbraw/zinc/86/92/60/632869260.db2.gz OBHBDZJWQDRHTH-VXNVDRBHSA-N 1 2 244.136 1.673 20 0 BDADLO CC[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000309281715 632882333 /nfs/dbraw/zinc/88/23/33/632882333.db2.gz NJXCNQXCWITHNG-VIFPVBQESA-N 1 2 222.288 1.938 20 0 BDADLO CC(C)OCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309314046 632923486 /nfs/dbraw/zinc/92/34/86/632923486.db2.gz YBGRBRWEVMFBDU-UHFFFAOYSA-N 1 2 224.260 1.132 20 0 BDADLO C[C@@H](O)C[C@@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000892644903 633045227 /nfs/dbraw/zinc/04/52/27/633045227.db2.gz IDVOOGHFAGLNPH-NXEZZACHSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@@H](O)C[C@@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000892644903 633045229 /nfs/dbraw/zinc/04/52/29/633045229.db2.gz IDVOOGHFAGLNPH-NXEZZACHSA-N 1 2 238.335 1.362 20 0 BDADLO O=C(CC[N@@H+]1CCCNC(=O)C1)c1ccccc1 ZINC000165474939 633091601 /nfs/dbraw/zinc/09/16/01/633091601.db2.gz SDGDEYRJQRZVSL-UHFFFAOYSA-N 1 2 246.310 1.081 20 0 BDADLO O=C(CC[N@H+]1CCCNC(=O)C1)c1ccccc1 ZINC000165474939 633091609 /nfs/dbraw/zinc/09/16/09/633091609.db2.gz SDGDEYRJQRZVSL-UHFFFAOYSA-N 1 2 246.310 1.081 20 0 BDADLO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ncco1 ZINC000924594481 633153607 /nfs/dbraw/zinc/15/36/07/633153607.db2.gz HIRCQKGWVBSUNN-SECBINFHSA-N 1 2 249.270 1.348 20 0 BDADLO Fc1ccccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000171696529 633206485 /nfs/dbraw/zinc/20/64/85/633206485.db2.gz ZBWMBOVMLZMWHO-UHFFFAOYSA-N 1 2 237.274 1.775 20 0 BDADLO Fc1ccccc1C[N@H+]1CCC2(C1)OCCO2 ZINC000171696529 633206489 /nfs/dbraw/zinc/20/64/89/633206489.db2.gz ZBWMBOVMLZMWHO-UHFFFAOYSA-N 1 2 237.274 1.775 20 0 BDADLO Cc1nc(NCc2nc[nH]n2)c(C)c(C)[nH+]1 ZINC000309689369 633227728 /nfs/dbraw/zinc/22/77/28/633227728.db2.gz IOLFGDKYNFUGCP-UHFFFAOYSA-N 1 2 218.264 1.132 20 0 BDADLO CNc1cc(N[C@@H](C)C[C@H]2CCOC2)[nH+]cn1 ZINC000892911404 633243465 /nfs/dbraw/zinc/24/34/65/633243465.db2.gz PPDVFTOYKDFHRM-VHSXEESVSA-N 1 2 236.319 1.745 20 0 BDADLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029188819 636008855 /nfs/dbraw/zinc/00/88/55/636008855.db2.gz ANOSLARPWHFOAF-PHIMTYICSA-N 1 2 228.311 1.431 20 0 BDADLO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029188819 636008859 /nfs/dbraw/zinc/00/88/59/636008859.db2.gz ANOSLARPWHFOAF-PHIMTYICSA-N 1 2 228.311 1.431 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](SC)C2)[nH+]cn1 ZINC000894982608 636013068 /nfs/dbraw/zinc/01/30/68/636013068.db2.gz SOKGDUDYCNIQFJ-ZKCHVHJHSA-N 1 2 224.333 1.824 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC000928546692 636081312 /nfs/dbraw/zinc/08/13/12/636081312.db2.gz IIUMMBBFAHVFBC-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000928546692 636081315 /nfs/dbraw/zinc/08/13/15/636081315.db2.gz IIUMMBBFAHVFBC-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCOC1=O ZINC000019876258 633801059 /nfs/dbraw/zinc/80/10/59/633801059.db2.gz UHCGWXYZGQNGRI-AAEUAGOBSA-N 1 2 233.311 1.913 20 0 BDADLO COC1(C)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893096875 633831956 /nfs/dbraw/zinc/83/19/56/633831956.db2.gz VSOVPSMEWDYPIS-UHFFFAOYSA-N 1 2 246.314 1.735 20 0 BDADLO CNc1cc(N2CCC=C(F)C2)nc[nH+]1 ZINC000893102951 633834264 /nfs/dbraw/zinc/83/42/64/633834264.db2.gz IUDXGUHKHLGUIB-UHFFFAOYSA-N 1 2 208.240 1.582 20 0 BDADLO CNc1cc(N2CCC=C(F)C2)[nH+]cn1 ZINC000893102951 633834265 /nfs/dbraw/zinc/83/42/65/633834265.db2.gz IUDXGUHKHLGUIB-UHFFFAOYSA-N 1 2 208.240 1.582 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)CC[C@H](C)O)c1Cl ZINC000219862598 633870015 /nfs/dbraw/zinc/87/00/15/633870015.db2.gz JEYOMXZGGAQUMD-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)CC[C@H](C)O)c1Cl ZINC000219862598 633870017 /nfs/dbraw/zinc/87/00/17/633870017.db2.gz JEYOMXZGGAQUMD-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO CCC[C@H](C)CCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930735515 634073422 /nfs/dbraw/zinc/07/34/22/634073422.db2.gz QJCUJGMPCBOOLE-JTQLQIEISA-N 1 2 248.392 1.176 20 0 BDADLO Cc1ccnc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000930837166 634131358 /nfs/dbraw/zinc/13/13/58/634131358.db2.gz LACLJAJQHIWANN-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccnc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000930837166 634131365 /nfs/dbraw/zinc/13/13/65/634131365.db2.gz LACLJAJQHIWANN-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@H](C(=O)N1CCC[N@H+](CCF)CC1)C1CC1 ZINC000980916172 635299234 /nfs/dbraw/zinc/29/92/34/635299234.db2.gz NTLIDPLPBORZTN-NSHDSACASA-N 1 2 242.338 1.536 20 0 BDADLO O=C(CC1CCC1)N1CCC[N@@H+](CCF)CC1 ZINC000980902852 635299482 /nfs/dbraw/zinc/29/94/82/635299482.db2.gz VLGUZSDZIDOKHX-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO O=C(CC1CCC1)N1CCC[N@H+](CCF)CC1 ZINC000980902852 635299490 /nfs/dbraw/zinc/29/94/90/635299490.db2.gz VLGUZSDZIDOKHX-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO CCc1cc(N2CC[C@H](O)C2(C)C)nc(C)[nH+]1 ZINC000310184336 635342045 /nfs/dbraw/zinc/34/20/45/635342045.db2.gz VABBPTSDTIPYIY-NSHDSACASA-N 1 2 235.331 1.697 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000126275225 635725667 /nfs/dbraw/zinc/72/56/67/635725667.db2.gz QRVYUINBVZCSQM-SRVKXCTJSA-N 1 2 245.363 1.835 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CC23CC3)[nH+]c1C ZINC000896910801 636253251 /nfs/dbraw/zinc/25/32/51/636253251.db2.gz YJGWQWJPNRCDLK-SECBINFHSA-N 1 2 219.288 1.443 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCCO2)c[nH+]1 ZINC000897358340 636413673 /nfs/dbraw/zinc/41/36/73/636413673.db2.gz RZUZUCZLRHBZOI-UHFFFAOYSA-N 1 2 223.276 1.091 20 0 BDADLO COC(=O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000082791748 636447631 /nfs/dbraw/zinc/44/76/31/636447631.db2.gz FCLSOYILEPNFOX-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO COC(=O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000082791748 636447635 /nfs/dbraw/zinc/44/76/35/636447635.db2.gz FCLSOYILEPNFOX-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)Cn1cc[nH+]c1 ZINC000928926987 636522652 /nfs/dbraw/zinc/52/26/52/636522652.db2.gz GZVSRMMITFQTBP-ARJAWSKDSA-N 1 2 227.695 1.530 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H](C)c2ccnn2C)nn1 ZINC000865839270 636825765 /nfs/dbraw/zinc/82/57/65/636825765.db2.gz ULBCCTYQAVMBFO-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO CCCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046886864 636872159 /nfs/dbraw/zinc/87/21/59/636872159.db2.gz ISDTWNZXRFOALG-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c(C)nn1 ZINC000929183426 636919196 /nfs/dbraw/zinc/91/91/96/636919196.db2.gz WFSKCFCOVJWCDG-QWRGUYRKSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C)nn1 ZINC000929183426 636919202 /nfs/dbraw/zinc/91/92/02/636919202.db2.gz WFSKCFCOVJWCDG-QWRGUYRKSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c(C)nn1 ZINC000929183427 636919935 /nfs/dbraw/zinc/91/99/35/636919935.db2.gz WFSKCFCOVJWCDG-WDEREUQCSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(C)nn1 ZINC000929183427 636919940 /nfs/dbraw/zinc/91/99/40/636919940.db2.gz WFSKCFCOVJWCDG-WDEREUQCSA-N 1 2 235.331 1.703 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000041042055 636956906 /nfs/dbraw/zinc/95/69/06/636956906.db2.gz VRXWAKCPVAFNAN-OUAUKWLOSA-N 1 2 229.320 1.343 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923889611 636999006 /nfs/dbraw/zinc/99/90/06/636999006.db2.gz UJXZKNZFBQQEDY-MNOVXSKESA-N 1 2 241.331 1.770 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923889611 636999012 /nfs/dbraw/zinc/99/90/12/636999012.db2.gz UJXZKNZFBQQEDY-MNOVXSKESA-N 1 2 241.331 1.770 20 0 BDADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cnn(C)c2)n1 ZINC000924753114 637079931 /nfs/dbraw/zinc/07/99/31/637079931.db2.gz ORWDPNPWNLSMQG-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO C[C@H](c1ccco1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900140931 637172494 /nfs/dbraw/zinc/17/24/94/637172494.db2.gz KYXORJINMSBJFS-SECBINFHSA-N 1 2 233.271 1.765 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000900136300 637172613 /nfs/dbraw/zinc/17/26/13/637172613.db2.gz HYDZPZVGIWMFEG-MNOVXSKESA-N 1 2 249.314 1.129 20 0 BDADLO Cn1c[nH+]cc1CCn1ccc(Cl)cc1=O ZINC000902651670 637321627 /nfs/dbraw/zinc/32/16/27/637321627.db2.gz GQNBQZBAVMJUFH-UHFFFAOYSA-N 1 2 237.690 1.478 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cnc(N)cn1 ZINC000904433078 637399901 /nfs/dbraw/zinc/39/99/01/637399901.db2.gz JZDLQYWPXCGLBJ-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CC[NH2+]Cc1noc(C2(C)CC=CC2)n1 ZINC000904495028 637423678 /nfs/dbraw/zinc/42/36/78/637423678.db2.gz PAVPUXJRRMUFOZ-UHFFFAOYSA-N 1 2 207.277 1.787 20 0 BDADLO CN(C)c1cc(-c2c[nH+]cn2C)ccn1 ZINC000904848707 637504450 /nfs/dbraw/zinc/50/44/50/637504450.db2.gz FUFBNMYKBRLJES-UHFFFAOYSA-N 1 2 202.261 1.548 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCOCC2)c(C)[nH+]1 ZINC000905038148 637556358 /nfs/dbraw/zinc/55/63/58/637556358.db2.gz LBPDWHMOMAFTKE-UHFFFAOYSA-N 1 2 234.299 1.479 20 0 BDADLO CC(=O)C(C)(C)n1cc(C[N@@H+](C)C(C)C)nn1 ZINC000905059858 637591541 /nfs/dbraw/zinc/59/15/41/637591541.db2.gz XNKUAKDRXRHNKQ-UHFFFAOYSA-N 1 2 238.335 1.442 20 0 BDADLO CC(=O)C(C)(C)n1cc(C[N@H+](C)C(C)C)nn1 ZINC000905059858 637591544 /nfs/dbraw/zinc/59/15/44/637591544.db2.gz XNKUAKDRXRHNKQ-UHFFFAOYSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCc1ccco1)C(=O)OC ZINC000905747140 637897660 /nfs/dbraw/zinc/89/76/60/637897660.db2.gz JXDYSSOFMWDUOL-JQWIXIFHSA-N 1 2 239.315 1.999 20 0 BDADLO Cc1c(-c2c[nH+]c3c(c2)CCCN3)cnn1C ZINC000906168962 638083571 /nfs/dbraw/zinc/08/35/71/638083571.db2.gz PSLBTZZQPKPXBQ-UHFFFAOYSA-N 1 2 228.299 1.791 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+](C)C2CCC2)nn1 ZINC000906274572 638125908 /nfs/dbraw/zinc/12/59/08/638125908.db2.gz VMFGMGJVPMYCHZ-UHFFFAOYSA-N 1 2 236.319 1.242 20 0 BDADLO CC(=O)CCn1cc(C[N@H+](C)C2CCC2)nn1 ZINC000906274572 638125909 /nfs/dbraw/zinc/12/59/09/638125909.db2.gz VMFGMGJVPMYCHZ-UHFFFAOYSA-N 1 2 236.319 1.242 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906267669 638129948 /nfs/dbraw/zinc/12/99/48/638129948.db2.gz ZBWAJNGUGZYUFG-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906267669 638129952 /nfs/dbraw/zinc/12/99/52/638129952.db2.gz ZBWAJNGUGZYUFG-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000906318230 638139092 /nfs/dbraw/zinc/13/90/92/638139092.db2.gz WFKLHPOREZPHHF-VXGBXAGGSA-N 1 2 248.330 1.099 20 0 BDADLO CC(=O)CCn1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000906318230 638139097 /nfs/dbraw/zinc/13/90/97/638139097.db2.gz WFKLHPOREZPHHF-VXGBXAGGSA-N 1 2 248.330 1.099 20 0 BDADLO COC1(C)CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000907180420 638320430 /nfs/dbraw/zinc/32/04/30/638320430.db2.gz OCZXEGGUOPCOCL-UHFFFAOYSA-N 1 2 248.326 1.868 20 0 BDADLO CCN(CC(F)F)C(=O)CNc1cccc[nH+]1 ZINC000907352778 638358510 /nfs/dbraw/zinc/35/85/10/638358510.db2.gz SZVSYNNLQCWEEP-UHFFFAOYSA-N 1 2 243.257 1.607 20 0 BDADLO C[C@@H]1CCSCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907712019 638451063 /nfs/dbraw/zinc/45/10/63/638451063.db2.gz CKCRAPGPVXUOAZ-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO CC1(CCNC(=O)CNc2cccc[nH+]2)CC1 ZINC000907862583 638491894 /nfs/dbraw/zinc/49/18/94/638491894.db2.gz ZJLNEIXCPVAJRF-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO C/C(=C(\F)C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000908257720 638627581 /nfs/dbraw/zinc/62/75/81/638627581.db2.gz GERVCTAIIDJRJW-DHZHZOJOSA-N 1 2 237.278 1.690 20 0 BDADLO CCN(CC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908325522 638665085 /nfs/dbraw/zinc/66/50/85/638665085.db2.gz YTRJKXWOLKWXBM-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CCC(CC)(CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908362991 638670140 /nfs/dbraw/zinc/67/01/40/638670140.db2.gz BEVSLJZFULDYRK-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc(C2CC2)n1 ZINC000908404517 638697627 /nfs/dbraw/zinc/69/76/27/638697627.db2.gz VNKMGMAUWADPKK-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000909879780 639251080 /nfs/dbraw/zinc/25/10/80/639251080.db2.gz BWCOZPLJKVPDDK-MWLCHTKSSA-N 1 2 221.304 1.503 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000909913034 639257179 /nfs/dbraw/zinc/25/71/79/639257179.db2.gz JCZGAJNARFDAAN-VHSXEESVSA-N 1 2 207.277 1.113 20 0 BDADLO CC(C)C[C@H](C(=O)N1CC=CC1)n1cc[nH+]c1 ZINC000910027228 639318177 /nfs/dbraw/zinc/31/81/77/639318177.db2.gz LKCRJSYXVJMJGO-GFCCVEGCSA-N 1 2 233.315 1.869 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccn1 ZINC000911144358 639585738 /nfs/dbraw/zinc/58/57/38/639585738.db2.gz NDOCJBXYAQHYNB-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000911287957 639619143 /nfs/dbraw/zinc/61/91/43/639619143.db2.gz IJHDWXRQUZAUAG-NWDGAFQWSA-N 1 2 245.326 1.798 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000930222210 639640658 /nfs/dbraw/zinc/64/06/58/639640658.db2.gz NGKZHHLFQJESHQ-XYYAHUGASA-N 1 2 247.342 1.826 20 0 BDADLO Cc1oc(C=O)cc1C(=O)NCCn1cc[nH+]c1 ZINC000930220299 639641153 /nfs/dbraw/zinc/64/11/53/639641153.db2.gz AQCJOUQBTZSOSJ-UHFFFAOYSA-N 1 2 247.254 1.027 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2CCOC2=O)c(C)[nH+]1 ZINC000911562495 639667017 /nfs/dbraw/zinc/66/70/17/639667017.db2.gz QKDAEGNGZXDQOE-JTQLQIEISA-N 1 2 248.282 1.052 20 0 BDADLO C[C@H](C1CC1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498297 639781973 /nfs/dbraw/zinc/78/19/73/639781973.db2.gz GMSUEBVKEQEJSO-PSASIEDQSA-N 1 2 236.319 1.488 20 0 BDADLO C[C@H](C1CC1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498297 639781979 /nfs/dbraw/zinc/78/19/79/639781979.db2.gz GMSUEBVKEQEJSO-PSASIEDQSA-N 1 2 236.319 1.488 20 0 BDADLO Cc1nnsc1[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000930515134 639795200 /nfs/dbraw/zinc/79/52/00/639795200.db2.gz JIPOTAPUCVLXSB-QMMMGPOBSA-N 1 2 249.343 1.689 20 0 BDADLO C[C@]1([NH2+]CCCc2cccnc2)CCOC1=O ZINC000930521388 639796781 /nfs/dbraw/zinc/79/67/81/639796781.db2.gz GYQHRPSWZASLJE-ZDUSSCGKSA-N 1 2 234.299 1.309 20 0 BDADLO C[C@]1([NH2+]CCc2cccc(F)c2)CCOC1=O ZINC000930521665 639797788 /nfs/dbraw/zinc/79/77/88/639797788.db2.gz JCLUXEMSTQNRON-ZDUSSCGKSA-N 1 2 237.274 1.663 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](Cc3c(F)cncc3F)C[C@H]12 ZINC000930542647 639808445 /nfs/dbraw/zinc/80/84/45/639808445.db2.gz DCTACPHOPQXWKL-MBTKJCJQSA-N 1 2 240.253 1.030 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3c(F)cncc3F)C[C@H]12 ZINC000930542647 639808447 /nfs/dbraw/zinc/80/84/47/639808447.db2.gz DCTACPHOPQXWKL-MBTKJCJQSA-N 1 2 240.253 1.030 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000930587942 639814675 /nfs/dbraw/zinc/81/46/75/639814675.db2.gz FOUDPMJKXXWNKK-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000930587942 639814676 /nfs/dbraw/zinc/81/46/76/639814676.db2.gz FOUDPMJKXXWNKK-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO CC[C@H](CO)[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000930714316 639875312 /nfs/dbraw/zinc/87/53/12/639875312.db2.gz CWHSKFNCVWUCBS-CQSZACIVSA-N 1 2 233.311 1.976 20 0 BDADLO CC[C@H](CO)[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000930714316 639875315 /nfs/dbraw/zinc/87/53/15/639875315.db2.gz CWHSKFNCVWUCBS-CQSZACIVSA-N 1 2 233.311 1.976 20 0 BDADLO CCc1cccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000911911268 639889431 /nfs/dbraw/zinc/88/94/31/639889431.db2.gz KTJFJNOFXPDZAA-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO Cc1nnc(CC[N@@H+]2CCC(=O)CC23CCC3)o1 ZINC000930741364 639890774 /nfs/dbraw/zinc/89/07/74/639890774.db2.gz OEJXFEDUSJBWOR-UHFFFAOYSA-N 1 2 249.314 1.508 20 0 BDADLO Cc1nnc(CC[N@H+]2CCC(=O)CC23CCC3)o1 ZINC000930741364 639890775 /nfs/dbraw/zinc/89/07/75/639890775.db2.gz OEJXFEDUSJBWOR-UHFFFAOYSA-N 1 2 249.314 1.508 20 0 BDADLO CC1(C)C[C@](C)([NH2+]CC[C@@H]2CCCO2)C(=O)O1 ZINC000930871723 639963448 /nfs/dbraw/zinc/96/34/48/639963448.db2.gz FIAZJLYBSABULA-GWCFXTLKSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H]1CCCCN1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000912148582 639973888 /nfs/dbraw/zinc/97/38/88/639973888.db2.gz VYUJPLIXWCOYGC-GMTAPVOTSA-N 1 2 248.330 1.419 20 0 BDADLO C[C@@H]1CCCCN1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000912148582 639973893 /nfs/dbraw/zinc/97/38/93/639973893.db2.gz VYUJPLIXWCOYGC-GMTAPVOTSA-N 1 2 248.330 1.419 20 0 BDADLO Cc1cc(C)c(C(=O)NC/C=C/CO)c(C)[nH+]1 ZINC000912385788 640038098 /nfs/dbraw/zinc/03/80/98/640038098.db2.gz NYXBCKCRUBNTJN-SNAWJCMRSA-N 1 2 234.299 1.285 20 0 BDADLO Cc1cc(C)c(C(=O)NC/C=C\CO)c(C)[nH+]1 ZINC000912385787 640038468 /nfs/dbraw/zinc/03/84/68/640038468.db2.gz NYXBCKCRUBNTJN-PLNGDYQASA-N 1 2 234.299 1.285 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]23CCOC3)n[nH]1 ZINC000931144615 640079192 /nfs/dbraw/zinc/07/91/92/640079192.db2.gz YFIVXJMQIKAJNP-MDZLAQPJSA-N 1 2 248.330 1.368 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@]23CCOC3)n[nH]1 ZINC000931144615 640079198 /nfs/dbraw/zinc/07/91/98/640079198.db2.gz YFIVXJMQIKAJNP-MDZLAQPJSA-N 1 2 248.330 1.368 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912583755 640122222 /nfs/dbraw/zinc/12/22/22/640122222.db2.gz FGPOXPYQSIKBRD-PTDYZRSTSA-N 1 2 223.251 1.708 20 0 BDADLO CC(C(=O)N[C@H](CO)c1c[nH+]cn1C)=C1CCC1 ZINC000912612148 640137749 /nfs/dbraw/zinc/13/77/49/640137749.db2.gz KKQLHKHLDHNAFU-LLVKDONJSA-N 1 2 249.314 1.070 20 0 BDADLO C[N@H+](Cc1nncs1)[C@@H]1CCCC[C@H]1O ZINC000931382796 640172434 /nfs/dbraw/zinc/17/24/34/640172434.db2.gz SUZSBZNXXAOYPD-RKDXNWHRSA-N 1 2 227.333 1.273 20 0 BDADLO C[N@@H+](Cc1nncs1)[C@@H]1CCCC[C@H]1O ZINC000931382796 640172435 /nfs/dbraw/zinc/17/24/35/640172435.db2.gz SUZSBZNXXAOYPD-RKDXNWHRSA-N 1 2 227.333 1.273 20 0 BDADLO CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]2C(F)F)C1 ZINC000931424450 640193165 /nfs/dbraw/zinc/19/31/65/640193165.db2.gz BUHPZEAFOMOASP-DJLDLDEBSA-N 1 2 205.248 1.893 20 0 BDADLO CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2C(F)F)C1 ZINC000931424450 640193171 /nfs/dbraw/zinc/19/31/71/640193171.db2.gz BUHPZEAFOMOASP-DJLDLDEBSA-N 1 2 205.248 1.893 20 0 BDADLO C[C@H]1C[N@H+](CCN2CC[C@@H]2C(F)F)CCO1 ZINC000931427753 640197375 /nfs/dbraw/zinc/19/73/75/640197375.db2.gz YXGZEVDSFUHHQR-VHSXEESVSA-N 1 2 234.290 1.047 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CC[C@@H]2C(F)F)CCO1 ZINC000931427753 640197379 /nfs/dbraw/zinc/19/73/79/640197379.db2.gz YXGZEVDSFUHHQR-VHSXEESVSA-N 1 2 234.290 1.047 20 0 BDADLO CC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931443486 640209621 /nfs/dbraw/zinc/20/96/21/640209621.db2.gz URUHGLWOJXNLCR-UHFFFAOYSA-N 1 2 208.261 1.443 20 0 BDADLO Cc1cc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)ncn1 ZINC000931463389 640224177 /nfs/dbraw/zinc/22/41/77/640224177.db2.gz VLJLGYJGMPKLPV-VIFPVBQESA-N 1 2 243.314 1.627 20 0 BDADLO Cc1cc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)ncn1 ZINC000931463389 640224180 /nfs/dbraw/zinc/22/41/80/640224180.db2.gz VLJLGYJGMPKLPV-VIFPVBQESA-N 1 2 243.314 1.627 20 0 BDADLO COC(=O)C[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931591443 640281289 /nfs/dbraw/zinc/28/12/89/640281289.db2.gz XNLLGZVXXKBDGQ-SECBINFHSA-N 1 2 231.361 1.623 20 0 BDADLO COC(=O)C[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931591443 640281295 /nfs/dbraw/zinc/28/12/95/640281295.db2.gz XNLLGZVXXKBDGQ-SECBINFHSA-N 1 2 231.361 1.623 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000912973626 640270228 /nfs/dbraw/zinc/27/02/28/640270228.db2.gz HJBHUEPGEKAGDO-OUAUKWLOSA-N 1 2 233.315 1.505 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000913013600 640282726 /nfs/dbraw/zinc/28/27/26/640282726.db2.gz GDYGLKVNCMEVQC-MFKMUULPSA-N 1 2 249.314 1.177 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+][C@H](CC)CO ZINC000931614512 640291539 /nfs/dbraw/zinc/29/15/39/640291539.db2.gz WQFUPEUOPGCWEM-GHMZBOCLSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)o1 ZINC000931703907 640325979 /nfs/dbraw/zinc/32/59/79/640325979.db2.gz MHNULSANWQTRIP-ZYHUDNBSSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)o1 ZINC000931703907 640325988 /nfs/dbraw/zinc/32/59/88/640325988.db2.gz MHNULSANWQTRIP-ZYHUDNBSSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)o1 ZINC000931703906 640327803 /nfs/dbraw/zinc/32/78/03/640327803.db2.gz MHNULSANWQTRIP-PWSUYJOCSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)o1 ZINC000931703906 640327817 /nfs/dbraw/zinc/32/78/17/640327817.db2.gz MHNULSANWQTRIP-PWSUYJOCSA-N 1 2 249.314 1.084 20 0 BDADLO COCC(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931720353 640338124 /nfs/dbraw/zinc/33/81/24/640338124.db2.gz RIVCETSDANEGLQ-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO C/C=C/C=C\C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441908 640371878 /nfs/dbraw/zinc/37/18/78/640371878.db2.gz VAKHZCAPSUPFTR-MJMJCPQHSA-N 1 2 246.314 1.015 20 0 BDADLO O=C(CCC1CC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448502 640373480 /nfs/dbraw/zinc/37/34/80/640373480.db2.gz VCMZRJVUFVWARP-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C)CC2)o1 ZINC000932337078 640481133 /nfs/dbraw/zinc/48/11/33/640481133.db2.gz VWDGWYQVRMJBHS-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C)CC2)o1 ZINC000932337078 640481138 /nfs/dbraw/zinc/48/11/38/640481138.db2.gz VWDGWYQVRMJBHS-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCO[C@H](C)CC1 ZINC000932341160 640482625 /nfs/dbraw/zinc/48/26/25/640482625.db2.gz QXFVGFZWKGPKIY-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCO[C@H](C)CC1 ZINC000932341160 640482627 /nfs/dbraw/zinc/48/26/27/640482627.db2.gz QXFVGFZWKGPKIY-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCO[C@H](C)CC2)n1 ZINC000932348982 640490616 /nfs/dbraw/zinc/49/06/16/640490616.db2.gz CXSMMIYVNUZNDY-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCO[C@H](C)CC2)n1 ZINC000932348982 640490619 /nfs/dbraw/zinc/49/06/19/640490619.db2.gz CXSMMIYVNUZNDY-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CO[C@@H](C[NH+]1CC(NC(C)=O)C1)c1ccccc1 ZINC001030039011 640531242 /nfs/dbraw/zinc/53/12/42/640531242.db2.gz VYYYXNIQOYQEKK-AWEZNQCLSA-N 1 2 248.326 1.194 20 0 BDADLO CC(C)C[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001030049284 640544529 /nfs/dbraw/zinc/54/45/29/640544529.db2.gz DTNSVAWEENIWLD-UHFFFAOYSA-N 1 2 220.263 1.098 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2COC[C@@H]2C)no1 ZINC000932497024 640558705 /nfs/dbraw/zinc/55/87/05/640558705.db2.gz GSQIEZCPGJSBGP-DTWKUNHWSA-N 1 2 225.292 1.147 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(F)c2)C1 ZINC001030068122 640573108 /nfs/dbraw/zinc/57/31/08/640573108.db2.gz IEVYKENZFZERHD-UHFFFAOYSA-N 1 2 222.263 1.260 20 0 BDADLO C[N@H+](CCc1nccs1)CN1CCCC1=O ZINC000157134648 640577535 /nfs/dbraw/zinc/57/75/35/640577535.db2.gz LCOMAQBALFVHCN-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C[N@@H+](CCc1nccs1)CN1CCCC1=O ZINC000157134648 640577542 /nfs/dbraw/zinc/57/75/42/640577542.db2.gz LCOMAQBALFVHCN-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC(C)(O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603396 640582223 /nfs/dbraw/zinc/58/22/23/640582223.db2.gz URSXSZJNPJZGKL-UHFFFAOYSA-N 1 2 235.331 1.347 20 0 BDADLO CC(C)(O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603396 640582231 /nfs/dbraw/zinc/58/22/31/640582231.db2.gz URSXSZJNPJZGKL-UHFFFAOYSA-N 1 2 235.331 1.347 20 0 BDADLO Cn1ncc(C[NH+]2CCC(F)(C3CC3)CC2)n1 ZINC000932623555 640588310 /nfs/dbraw/zinc/58/83/10/640588310.db2.gz ADBOUUKPVLNOHG-UHFFFAOYSA-N 1 2 238.310 1.529 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC000932640417 640592764 /nfs/dbraw/zinc/59/27/64/640592764.db2.gz AJJDHXKNYPOKIA-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000932640417 640592770 /nfs/dbraw/zinc/59/27/70/640592770.db2.gz AJJDHXKNYPOKIA-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)COC1 ZINC000932673104 640601521 /nfs/dbraw/zinc/60/15/21/640601521.db2.gz BZJCGSVXPPADCF-UHFFFAOYSA-N 1 2 245.282 1.329 20 0 BDADLO CC(C)C(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001030113728 640603772 /nfs/dbraw/zinc/60/37/72/640603772.db2.gz VLAAUHQPGLRZOZ-ZYHUDNBSSA-N 1 2 240.347 1.010 20 0 BDADLO COC(=O)CCCC[N@@H+]1CCCC(=O)[C@H]1C ZINC000932845734 640619530 /nfs/dbraw/zinc/61/95/30/640619530.db2.gz MCHVXEFFHKEEBA-SNVBAGLBSA-N 1 2 227.304 1.383 20 0 BDADLO COC(=O)CCCC[N@H+]1CCCC(=O)[C@H]1C ZINC000932845734 640619534 /nfs/dbraw/zinc/61/95/34/640619534.db2.gz MCHVXEFFHKEEBA-SNVBAGLBSA-N 1 2 227.304 1.383 20 0 BDADLO CO[C@H](C[N@@H+]1CC(=O)CC[C@@H]1C)[C@H]1CCOC1 ZINC000932880146 640637724 /nfs/dbraw/zinc/63/77/24/640637724.db2.gz WRZBFJTWXFJGAW-GMXVVIOVSA-N 1 2 241.331 1.091 20 0 BDADLO CO[C@H](C[N@H+]1CC(=O)CC[C@@H]1C)[C@H]1CCOC1 ZINC000932880146 640637726 /nfs/dbraw/zinc/63/77/26/640637726.db2.gz WRZBFJTWXFJGAW-GMXVVIOVSA-N 1 2 241.331 1.091 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2oc(C)nc2C)C1 ZINC001030176070 640661678 /nfs/dbraw/zinc/66/16/78/640661678.db2.gz HPXHWINYOGEXBG-UHFFFAOYSA-N 1 2 237.303 1.115 20 0 BDADLO C[C@@H](C(=O)NC1C[NH+](CCCF)C1)C1CC1 ZINC001030194439 640671046 /nfs/dbraw/zinc/67/10/46/640671046.db2.gz MRJOJGTWFKGHKF-SECBINFHSA-N 1 2 228.311 1.193 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933201485 640676357 /nfs/dbraw/zinc/67/63/57/640676357.db2.gz BWTDVOJKLMUJIE-ZDUSSCGKSA-N 1 2 237.347 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933201485 640676362 /nfs/dbraw/zinc/67/63/62/640676362.db2.gz BWTDVOJKLMUJIE-ZDUSSCGKSA-N 1 2 237.347 1.290 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C=C2CCC2)C1 ZINC001030206748 640683563 /nfs/dbraw/zinc/68/35/63/640683563.db2.gz IEMXJPDVRXABDO-UHFFFAOYSA-N 1 2 234.343 1.863 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1ccncc1C ZINC000933326431 640704628 /nfs/dbraw/zinc/70/46/28/640704628.db2.gz CJPMLQDCEDRXNM-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1ccncc1C ZINC000933326431 640704633 /nfs/dbraw/zinc/70/46/33/640704633.db2.gz CJPMLQDCEDRXNM-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO Cn1nccc1[C@H]1C[N@H+](CCCF)CCO1 ZINC000933533449 640723548 /nfs/dbraw/zinc/72/35/48/640723548.db2.gz KBMMISICPCFFRB-LLVKDONJSA-N 1 2 227.283 1.153 20 0 BDADLO Cn1nccc1[C@H]1C[N@@H+](CCCF)CCO1 ZINC000933533449 640723551 /nfs/dbraw/zinc/72/35/51/640723551.db2.gz KBMMISICPCFFRB-LLVKDONJSA-N 1 2 227.283 1.153 20 0 BDADLO CC(C)(C)[C@H]1CNC(=O)C[N@@H+]1Cc1ccncc1 ZINC000933826733 640768859 /nfs/dbraw/zinc/76/88/59/640768859.db2.gz KQYFOTMHUZVMDB-GFCCVEGCSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)(C)[C@H]1CNC(=O)C[N@H+]1Cc1ccncc1 ZINC000933826733 640768865 /nfs/dbraw/zinc/76/88/65/640768865.db2.gz KQYFOTMHUZVMDB-GFCCVEGCSA-N 1 2 247.342 1.428 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]2C2OCCO2)cn1 ZINC000933908218 640787888 /nfs/dbraw/zinc/78/78/88/640787888.db2.gz HMAAPKIHPSGZBU-LBPRGKRZSA-N 1 2 249.314 1.122 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]2C2OCCO2)cn1 ZINC000933908218 640787891 /nfs/dbraw/zinc/78/78/91/640787891.db2.gz HMAAPKIHPSGZBU-LBPRGKRZSA-N 1 2 249.314 1.122 20 0 BDADLO CCCCOC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000227344911 640828614 /nfs/dbraw/zinc/82/86/14/640828614.db2.gz CMHHUAFQGZSHBK-UHFFFAOYSA-N 1 2 231.336 1.469 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001030410869 640835718 /nfs/dbraw/zinc/83/57/18/640835718.db2.gz BKBKIXGNQCKTDF-MRVPVSSYSA-N 1 2 232.274 1.242 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC1CCC1 ZINC000229148746 640927735 /nfs/dbraw/zinc/92/77/35/640927735.db2.gz GFOXHBYBBPZRDD-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC1CCC1 ZINC000229148746 640927739 /nfs/dbraw/zinc/92/77/39/640927739.db2.gz GFOXHBYBBPZRDD-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)[C@@H]1C=CCCC1 ZINC000171737497 641010057 /nfs/dbraw/zinc/01/00/57/641010057.db2.gz NEUNXQLJBDCTJC-SNVBAGLBSA-N 1 2 217.334 1.072 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)[C@@H]1C=CCCC1 ZINC000171737497 641010058 /nfs/dbraw/zinc/01/00/58/641010058.db2.gz NEUNXQLJBDCTJC-SNVBAGLBSA-N 1 2 217.334 1.072 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000230062314 641010310 /nfs/dbraw/zinc/01/03/10/641010310.db2.gz FLJZLHHTKPDPPS-DCAQKATOSA-N 1 2 231.336 1.589 20 0 BDADLO CNc1cc(N(C)C[C@@H]2CCCO2)nc[nH+]1 ZINC000087821746 641056940 /nfs/dbraw/zinc/05/69/40/641056940.db2.gz ZKHLERLTQIHBGB-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N(C)C[C@@H]2CCCO2)[nH+]cn1 ZINC000087821746 641056945 /nfs/dbraw/zinc/05/69/45/641056945.db2.gz ZKHLERLTQIHBGB-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO C[N@H+](C[C@H]1CCCO1)Cn1cccnc1=S ZINC000172479289 641066921 /nfs/dbraw/zinc/06/69/21/641066921.db2.gz YTPXFPBRHFACLB-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO C[N@@H+](C[C@H]1CCCO1)Cn1cccnc1=S ZINC000172479289 641066929 /nfs/dbraw/zinc/06/69/29/641066929.db2.gz YTPXFPBRHFACLB-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000934108492 641070398 /nfs/dbraw/zinc/07/03/98/641070398.db2.gz QJWFEOWTDYFMTJ-FKTZTGRPSA-N 1 2 224.308 1.283 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000934108492 641070399 /nfs/dbraw/zinc/07/03/99/641070399.db2.gz QJWFEOWTDYFMTJ-FKTZTGRPSA-N 1 2 224.308 1.283 20 0 BDADLO CCc1noc(C[N@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934131033 641082646 /nfs/dbraw/zinc/08/26/46/641082646.db2.gz IOIFCBJMLJDDKW-RKDXNWHRSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934131033 641082650 /nfs/dbraw/zinc/08/26/50/641082650.db2.gz IOIFCBJMLJDDKW-RKDXNWHRSA-N 1 2 225.292 1.241 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(C)c(C)o1 ZINC000934127199 641085741 /nfs/dbraw/zinc/08/57/41/641085741.db2.gz STFHZIPINLCHGD-MNOVXSKESA-N 1 2 224.304 1.901 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000934127199 641085745 /nfs/dbraw/zinc/08/57/45/641085745.db2.gz STFHZIPINLCHGD-MNOVXSKESA-N 1 2 224.304 1.901 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)Cc1cccnc1)C(=O)OC ZINC000934231237 641107865 /nfs/dbraw/zinc/10/78/65/641107865.db2.gz NYQRXTKZZGCOPV-ZYHUDNBSSA-N 1 2 236.315 1.554 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCSC[C@H]2C)[nH]1 ZINC000934305605 641123216 /nfs/dbraw/zinc/12/32/16/641123216.db2.gz ZLOZCOCUYMNFNK-SECBINFHSA-N 1 2 240.376 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CCCSC[C@H]2C)[nH]1 ZINC000934305605 641123218 /nfs/dbraw/zinc/12/32/18/641123218.db2.gz ZLOZCOCUYMNFNK-SECBINFHSA-N 1 2 240.376 1.695 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(N)cn1 ZINC000231298194 641157141 /nfs/dbraw/zinc/15/71/41/641157141.db2.gz PZFMATHCRRCTPX-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnc(N)cn1 ZINC000231298194 641157146 /nfs/dbraw/zinc/15/71/46/641157146.db2.gz PZFMATHCRRCTPX-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO c1cc(C[NH2+][C@H]2CCc3cccnc32)on1 ZINC000231883197 641212008 /nfs/dbraw/zinc/21/20/08/641212008.db2.gz KKHSWICPLBBLEI-NSHDSACASA-N 1 2 215.256 1.847 20 0 BDADLO CC(C)[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934775785 641267296 /nfs/dbraw/zinc/26/72/96/641267296.db2.gz OFUSYFYAMJLOEN-GFCCVEGCSA-N 1 2 247.298 1.310 20 0 BDADLO CC[C@H](CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934871239 641293912 /nfs/dbraw/zinc/29/39/12/641293912.db2.gz ZMKGQOXWVDBMMW-SNVBAGLBSA-N 1 2 247.298 1.454 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnc[nH]2)nc1 ZINC000088135511 641318084 /nfs/dbraw/zinc/31/80/84/641318084.db2.gz AMCUERIRQGXTAS-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935029344 641320287 /nfs/dbraw/zinc/32/02/87/641320287.db2.gz RUSDYTASHLRCPI-MRVPVSSYSA-N 1 2 245.282 1.660 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1CO ZINC000935103890 641340438 /nfs/dbraw/zinc/34/04/38/641340438.db2.gz FGRDKPHXWOOARS-JTQLQIEISA-N 1 2 245.282 1.160 20 0 BDADLO CCc1ccoc1C(=O)NC1C[NH+](CC)C1 ZINC001030907141 641413978 /nfs/dbraw/zinc/41/39/78/641413978.db2.gz SQPYVDMZJBRGIN-UHFFFAOYSA-N 1 2 222.288 1.276 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCC[C@@H]2C)C1 ZINC001030905215 641414652 /nfs/dbraw/zinc/41/46/52/641414652.db2.gz GDXFOGLAKDVUJK-GWCFXTLKSA-N 1 2 224.348 1.633 20 0 BDADLO CCc1ncoc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030928783 641426968 /nfs/dbraw/zinc/42/69/68/641426968.db2.gz HGLNLHYXWBHKHM-UHFFFAOYSA-N 1 2 249.314 1.061 20 0 BDADLO CCC(C)(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000913648649 641446515 /nfs/dbraw/zinc/44/65/15/641446515.db2.gz MKPXPPNNDVVMBI-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO Cc1cc(C)c(C(=O)NC2COC2)c(C)[nH+]1 ZINC000913674509 641457926 /nfs/dbraw/zinc/45/79/26/641457926.db2.gz SKMOTOFAKYSSGS-UHFFFAOYSA-N 1 2 220.272 1.135 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCCN1 ZINC000935946604 641505559 /nfs/dbraw/zinc/50/55/59/641505559.db2.gz HVOQXPKRKCJICB-UHFFFAOYSA-N 1 2 230.271 1.304 20 0 BDADLO Cc1cccc([C@H](O)Cn2cc[nH+]c2)c1 ZINC000044180537 641590888 /nfs/dbraw/zinc/59/08/88/641590888.db2.gz YXPPDOAQEVRONM-GFCCVEGCSA-N 1 2 202.257 1.925 20 0 BDADLO CCON(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000831458684 641595614 /nfs/dbraw/zinc/59/56/14/641595614.db2.gz QZLBFXYXRCOTQX-SNVBAGLBSA-N 1 2 237.303 1.246 20 0 BDADLO CCC[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000914360997 641644877 /nfs/dbraw/zinc/64/48/77/641644877.db2.gz CPCGOLGIAQKGIV-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CC1(C)C[C@@]1(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000914379638 641654778 /nfs/dbraw/zinc/65/47/78/641654778.db2.gz BOIGLILZGCSQMK-LBPRGKRZSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H]1C[N@@H+](Cn2ncn(C)c2=S)CC[C@@H]1C ZINC000159953840 641706918 /nfs/dbraw/zinc/70/69/18/641706918.db2.gz YBSSXNFAYJFLFK-UWVGGRQHSA-N 1 2 240.376 1.886 20 0 BDADLO C[C@H]1C[N@H+](Cn2ncn(C)c2=S)CC[C@@H]1C ZINC000159953840 641706921 /nfs/dbraw/zinc/70/69/21/641706921.db2.gz YBSSXNFAYJFLFK-UWVGGRQHSA-N 1 2 240.376 1.886 20 0 BDADLO CCCCC[C@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000187880000 641729081 /nfs/dbraw/zinc/72/90/81/641729081.db2.gz GZKANBAMQVHLJP-RYUDHWBXSA-N 1 2 243.347 1.877 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2nc(C)oc2C)C1 ZINC001031140311 641729787 /nfs/dbraw/zinc/72/97/87/641729787.db2.gz RCJHWTPNUWOGAW-UHFFFAOYSA-N 1 2 237.303 1.115 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccco1 ZINC000915264164 641813206 /nfs/dbraw/zinc/81/32/06/641813206.db2.gz LWYZMVXEAONBOR-WYGGZMRJSA-N 1 2 245.282 1.694 20 0 BDADLO Cc1nc(NCCOc2cccnc2)cc[nH+]1 ZINC000078260646 641907404 /nfs/dbraw/zinc/90/74/04/641907404.db2.gz OBSHXMCUJGGTHP-UHFFFAOYSA-N 1 2 230.271 1.671 20 0 BDADLO CCOc1ccc(OC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000078656782 641943831 /nfs/dbraw/zinc/94/38/31/641943831.db2.gz DKSFDERWRXTBLH-JTQLQIEISA-N 1 2 237.299 1.941 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2[nH]cnc2C)C1 ZINC001031491168 642216571 /nfs/dbraw/zinc/21/65/71/642216571.db2.gz SKUVFUUXFAKZDB-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)C1CCCC1 ZINC001031512155 642239877 /nfs/dbraw/zinc/23/98/77/642239877.db2.gz GNJXOPNGRHIENA-UHFFFAOYSA-N 1 2 228.311 1.194 20 0 BDADLO CCn1cnn(C[N@H+](C)CC2CC2)c1=S ZINC000919942290 642409850 /nfs/dbraw/zinc/40/98/50/642409850.db2.gz OWMDPNKPUYBLGU-UHFFFAOYSA-N 1 2 226.349 1.733 20 0 BDADLO CCn1cnn(C[N@@H+](C)CC2CC2)c1=S ZINC000919942290 642409856 /nfs/dbraw/zinc/40/98/56/642409856.db2.gz OWMDPNKPUYBLGU-UHFFFAOYSA-N 1 2 226.349 1.733 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ocnc1C)C2 ZINC000933254128 642421251 /nfs/dbraw/zinc/42/12/51/642421251.db2.gz XKVGNNNMVWFCET-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCn1cnc2c1CC[N@H+](CCOC1CC1)C2 ZINC000933255492 642424854 /nfs/dbraw/zinc/42/48/54/642424854.db2.gz BGOMUSKOXVISKY-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO CCn1cnc2c1CC[N@@H+](CCOC1CC1)C2 ZINC000933255492 642424855 /nfs/dbraw/zinc/42/48/55/642424855.db2.gz BGOMUSKOXVISKY-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1nonc1C)C2 ZINC000933255298 642426553 /nfs/dbraw/zinc/42/65/53/642426553.db2.gz IHQJNNWVYKXVAJ-UHFFFAOYSA-N 1 2 247.302 1.153 20 0 BDADLO Cn1c(Cl)nc(Cl)c1C[NH2+]CCF ZINC000308190447 642482414 /nfs/dbraw/zinc/48/24/14/642482414.db2.gz NIWGAEQMITYTOZ-UHFFFAOYSA-N 1 2 226.082 1.786 20 0 BDADLO CCC/C=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000920474139 642511502 /nfs/dbraw/zinc/51/15/02/642511502.db2.gz WNGXTLLNFGYKRI-MVIFTORASA-N 1 2 221.304 1.744 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+]C1(CO)CCCC1 ZINC000305239747 642649274 /nfs/dbraw/zinc/64/92/74/642649274.db2.gz QHCLMXXJLZYNQS-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO CC[N@@H+](CC(=O)OCC(C)C)C[C@@H]1CCCO1 ZINC000181440746 642871673 /nfs/dbraw/zinc/87/16/73/642871673.db2.gz ZQRSEMGBYLQHTI-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@H+](CC(=O)OCC(C)C)C[C@@H]1CCCO1 ZINC000181440746 642871676 /nfs/dbraw/zinc/87/16/76/642871676.db2.gz ZQRSEMGBYLQHTI-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181631163 642891625 /nfs/dbraw/zinc/89/16/25/642891625.db2.gz XRVZZUUNOMDBEU-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CC1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CCCC1 ZINC001015436380 642897542 /nfs/dbraw/zinc/89/75/42/642897542.db2.gz RPCQJCZSYDKYGC-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO CC1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CCCC1 ZINC001015436380 642897543 /nfs/dbraw/zinc/89/75/43/642897543.db2.gz RPCQJCZSYDKYGC-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CCF)C2)C=CCC1 ZINC001015529839 642903310 /nfs/dbraw/zinc/90/33/10/642903310.db2.gz GTVHIFRKDPSVPZ-WCQYABFASA-N 1 2 240.322 1.503 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)C=CCC1 ZINC001015529839 642903316 /nfs/dbraw/zinc/90/33/16/642903316.db2.gz GTVHIFRKDPSVPZ-WCQYABFASA-N 1 2 240.322 1.503 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001031864470 642912648 /nfs/dbraw/zinc/91/26/48/642912648.db2.gz WBMSFFXUJNTDQF-DGCLKSJQSA-N 1 2 240.322 1.194 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CC[C@H](F)C1 ZINC001031929361 643069852 /nfs/dbraw/zinc/06/98/52/643069852.db2.gz HBDCQQCEPJJQOE-MNOVXSKESA-N 1 2 246.301 1.142 20 0 BDADLO CC(=O)N[C@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000969177996 643097425 /nfs/dbraw/zinc/09/74/25/643097425.db2.gz YOODGTFBBFXRAR-MRVPVSSYSA-N 1 2 239.344 1.100 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnc[nH]2)c(OC)c1 ZINC000071138652 643103348 /nfs/dbraw/zinc/10/33/48/643103348.db2.gz GTQVMQBXQAWLIS-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C(F)(F)F ZINC000082277999 643293527 /nfs/dbraw/zinc/29/35/27/643293527.db2.gz DFXOZLXZUSMWBQ-MRVPVSSYSA-N 1 2 247.220 1.609 20 0 BDADLO O=C(NC1CC1)c1cccc2[nH+]ccn21 ZINC000082299201 643298455 /nfs/dbraw/zinc/29/84/55/643298455.db2.gz NWFZJSISOSBOIB-UHFFFAOYSA-N 1 2 201.229 1.227 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000890766190 643350181 /nfs/dbraw/zinc/35/01/81/643350181.db2.gz ACZGRKBBEWTVNT-ZYHUDNBSSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000890766190 643350185 /nfs/dbraw/zinc/35/01/85/643350185.db2.gz ACZGRKBBEWTVNT-ZYHUDNBSSA-N 1 2 233.315 1.813 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032237588 643384236 /nfs/dbraw/zinc/38/42/36/643384236.db2.gz NYFRXBDUFMXTIS-STQMWFEESA-N 1 2 245.326 1.277 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032237588 643384240 /nfs/dbraw/zinc/38/42/40/643384240.db2.gz NYFRXBDUFMXTIS-STQMWFEESA-N 1 2 245.326 1.277 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001032238880 643385371 /nfs/dbraw/zinc/38/53/71/643385371.db2.gz ZUNCYYKGRQZRTI-AQHVTNBVSA-N 1 2 214.696 1.044 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001032238880 643385376 /nfs/dbraw/zinc/38/53/76/643385376.db2.gz ZUNCYYKGRQZRTI-AQHVTNBVSA-N 1 2 214.696 1.044 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)nn1 ZINC000307313588 643438167 /nfs/dbraw/zinc/43/81/67/643438167.db2.gz GZHSBKWOUPFPCP-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)nn1 ZINC000307313588 643438172 /nfs/dbraw/zinc/43/81/72/643438172.db2.gz GZHSBKWOUPFPCP-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(Cl)nn1 ZINC000307704115 643582990 /nfs/dbraw/zinc/58/29/90/643582990.db2.gz WNRLMZHJERDGFQ-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCOC(C)(C)C1 ZINC000084002476 643639076 /nfs/dbraw/zinc/63/90/76/643639076.db2.gz KFVBDOROJHZLSJ-BJMVGYQFSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCOC(C)(C)C1 ZINC000084002476 643639079 /nfs/dbraw/zinc/63/90/79/643639079.db2.gz KFVBDOROJHZLSJ-BJMVGYQFSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000050268306 643671411 /nfs/dbraw/zinc/67/14/11/643671411.db2.gz MATRUQDXKBZBHN-NEPJUHHUSA-N 1 2 241.331 1.856 20 0 BDADLO Cn1nc2c(c1C[NH2+]Cc1ccon1)CCC2 ZINC000921811756 643800500 /nfs/dbraw/zinc/80/05/00/643800500.db2.gz PBODOJVYYQIGTE-UHFFFAOYSA-N 1 2 232.287 1.187 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922180519 643894919 /nfs/dbraw/zinc/89/49/19/643894919.db2.gz DCYYFSAKTYIGRO-APPZFPTMSA-N 1 2 206.245 1.363 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922447529 643994612 /nfs/dbraw/zinc/99/46/12/643994612.db2.gz BDESIIXIQSEOKK-SECBINFHSA-N 1 2 222.288 1.999 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2nccc3c2CCCC3)n1 ZINC000922466369 643998520 /nfs/dbraw/zinc/99/85/20/643998520.db2.gz IETJNZDZTLJCMS-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1CC=CC1 ZINC000922477484 644000914 /nfs/dbraw/zinc/00/09/14/644000914.db2.gz GIHACCISRKHRHV-UHFFFAOYSA-N 1 2 218.256 1.673 20 0 BDADLO C[C@@H](C(=O)OCc1ccc[nH+]c1N)C(F)(F)F ZINC000922496371 644003831 /nfs/dbraw/zinc/00/38/31/644003831.db2.gz BQQZQRLFPJSKRN-LURJTMIESA-N 1 2 248.204 1.905 20 0 BDADLO Nc1ccc(COC(=O)/C=C/C2CC2)c[nH+]1 ZINC000922495213 644004498 /nfs/dbraw/zinc/00/44/98/644004498.db2.gz FBMDCDWYLKHFRE-GQCTYLIASA-N 1 2 218.256 1.673 20 0 BDADLO CCC1(C(=O)OCc2ccc[nH+]c2N)COC1 ZINC000922520934 644013243 /nfs/dbraw/zinc/01/32/43/644013243.db2.gz SMEYTBBVLRYDAZ-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CCC2(COC2)CC1 ZINC000922554342 644022483 /nfs/dbraw/zinc/02/24/83/644022483.db2.gz IXRZXFOHWAJEQT-UHFFFAOYSA-N 1 2 249.314 1.028 20 0 BDADLO Cn1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)cn1 ZINC000922582404 644034641 /nfs/dbraw/zinc/03/46/41/644034641.db2.gz MBXQBDOSOIHWRP-GFCCVEGCSA-N 1 2 243.314 1.451 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000922634909 644047787 /nfs/dbraw/zinc/04/77/87/644047787.db2.gz KMCNNVJFZRNMLT-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO CC(C)/C=C/C(=O)OCc1ccc[nH+]c1N ZINC000922656208 644058909 /nfs/dbraw/zinc/05/89/09/644058909.db2.gz JSPHAAXPEVFFDE-AATRIKPKSA-N 1 2 220.272 1.919 20 0 BDADLO Nc1ccc(COC(=O)C2(CCF)CC2)c[nH+]1 ZINC000922745243 644085556 /nfs/dbraw/zinc/08/55/56/644085556.db2.gz LGWHYJSFIONKLU-UHFFFAOYSA-N 1 2 238.262 1.847 20 0 BDADLO C[C@@]1(C(=O)OCc2ccc[nH+]c2N)CC1(F)F ZINC000922807300 644099726 /nfs/dbraw/zinc/09/97/26/644099726.db2.gz RONAIYXQQYGGPO-JTQLQIEISA-N 1 2 242.225 1.752 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CCC(=O)C2)c[nH+]1 ZINC000922833549 644112547 /nfs/dbraw/zinc/11/25/47/644112547.db2.gz JLSULBLXMNOFAD-SECBINFHSA-N 1 2 234.255 1.076 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](CC(OC)OC)C1CCC1 ZINC000192382426 644149065 /nfs/dbraw/zinc/14/90/65/644149065.db2.gz QJCHDZDGGWKZKX-VIFPVBQESA-N 1 2 245.319 1.021 20 0 BDADLO COC(=O)[C@H](C)[N@H+](CC(OC)OC)C1CCC1 ZINC000192382426 644149071 /nfs/dbraw/zinc/14/90/71/644149071.db2.gz QJCHDZDGGWKZKX-VIFPVBQESA-N 1 2 245.319 1.021 20 0 BDADLO Cc1ccc(NCC[NH2+]Cc2ccn[nH]2)nc1 ZINC000922926534 644189374 /nfs/dbraw/zinc/18/93/74/644189374.db2.gz UBRAZDRSQDZXCY-UHFFFAOYSA-N 1 2 231.303 1.315 20 0 BDADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1cnccn1 ZINC000922948802 644199404 /nfs/dbraw/zinc/19/94/04/644199404.db2.gz WGASEOMPFTVJAJ-UHFFFAOYSA-N 1 2 243.314 1.377 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2cncc(O)c2)o1 ZINC000922975971 644206763 /nfs/dbraw/zinc/20/67/63/644206763.db2.gz POERYIJZKMGIIS-UHFFFAOYSA-N 1 2 233.271 1.682 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC=CO1 ZINC000193832550 644283701 /nfs/dbraw/zinc/28/37/01/644283701.db2.gz JLWJAGWGVTWPHE-NSHDSACASA-N 1 2 241.331 1.953 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC=CO1 ZINC000193832550 644283709 /nfs/dbraw/zinc/28/37/09/644283709.db2.gz JLWJAGWGVTWPHE-NSHDSACASA-N 1 2 241.331 1.953 20 0 BDADLO C/C=C(/C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081776577 644345314 /nfs/dbraw/zinc/34/53/14/644345314.db2.gz HTFUQDHVYZRSTG-ZQJWYQMXSA-N 1 2 221.304 1.602 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)C[C@@H](C)O)c1Cl ZINC000084275470 644423816 /nfs/dbraw/zinc/42/38/16/644423816.db2.gz FMVSSVDIVXVARI-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)C[C@@H](C)O)c1Cl ZINC000084275470 644423820 /nfs/dbraw/zinc/42/38/20/644423820.db2.gz FMVSSVDIVXVARI-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CC[C@@H](C)O)C(C)(C)C ZINC000839523829 644559460 /nfs/dbraw/zinc/55/94/60/644559460.db2.gz XCGPQIQZBQLYML-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO CCOCCCO[NH+]=C(N)c1ccccc1 ZINC000742348792 644565028 /nfs/dbraw/zinc/56/50/28/644565028.db2.gz LRPFPUCUXARHSJ-UHFFFAOYSA-N 1 2 222.288 1.960 20 0 BDADLO CO[C@H](C[NH2+]CC(F)(F)CO)C1CCCC1 ZINC000639053415 644589151 /nfs/dbraw/zinc/58/91/51/644589151.db2.gz NVXXMBRIKASESX-SNVBAGLBSA-N 1 2 237.290 1.409 20 0 BDADLO C[N@@H+]1CCN(C(=O)C(=O)C(C)(C)C)C(C)(C)C1 ZINC000766623085 644667429 /nfs/dbraw/zinc/66/74/29/644667429.db2.gz NHFMISDYTKWBQR-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO C[N@H+]1CCN(C(=O)C(=O)C(C)(C)C)C(C)(C)C1 ZINC000766623085 644667433 /nfs/dbraw/zinc/66/74/33/644667433.db2.gz NHFMISDYTKWBQR-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO O=C1C[N@H+](Cc2ccsc2)CCCN1 ZINC000769114359 644679221 /nfs/dbraw/zinc/67/92/21/644679221.db2.gz KREGACOCFOHILP-UHFFFAOYSA-N 1 2 210.302 1.070 20 0 BDADLO O=C1C[N@@H+](Cc2ccsc2)CCCN1 ZINC000769114359 644679226 /nfs/dbraw/zinc/67/92/26/644679226.db2.gz KREGACOCFOHILP-UHFFFAOYSA-N 1 2 210.302 1.070 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccco2)C1 ZINC000093887192 644702293 /nfs/dbraw/zinc/70/22/93/644702293.db2.gz ZAEXJQYRQLGYGK-LLVKDONJSA-N 1 2 227.235 1.367 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccco2)C1 ZINC000093887192 644702297 /nfs/dbraw/zinc/70/22/97/644702297.db2.gz ZAEXJQYRQLGYGK-LLVKDONJSA-N 1 2 227.235 1.367 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213389 644710646 /nfs/dbraw/zinc/71/06/46/644710646.db2.gz HWKKMEVTRXUWSX-INJWIWPUSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1noc(C)c1C(=O)OCCCn1cc[nH+]c1 ZINC000782073666 644739394 /nfs/dbraw/zinc/73/93/94/644739394.db2.gz ZNSAQODMAWOJIG-UHFFFAOYSA-N 1 2 249.270 1.735 20 0 BDADLO Nc1cc(COC(=O)/C=C/c2ccc[nH]2)cc[nH+]1 ZINC000792161008 644791606 /nfs/dbraw/zinc/79/16/06/644791606.db2.gz QGKAZGGZVXWWIO-ONEGZZNKSA-N 1 2 243.266 1.749 20 0 BDADLO Cc1ccn(C)c1C(=O)OCCc1c[nH+]cn1C ZINC000793239983 644801432 /nfs/dbraw/zinc/80/14/32/644801432.db2.gz AVQBJZXUVCCPIY-UHFFFAOYSA-N 1 2 247.298 1.467 20 0 BDADLO CS/C=C\C(=O)OCCc1c[nH+]cn1C ZINC000793241450 644801969 /nfs/dbraw/zinc/80/19/69/644801969.db2.gz LKYLAZUUONCTCS-XQRVVYSFSA-N 1 2 226.301 1.383 20 0 BDADLO Cn1cccc1C(=O)OCCc1c[nH+]cn1C ZINC000793241665 644802139 /nfs/dbraw/zinc/80/21/39/644802139.db2.gz MBYJHBDLNTULNQ-UHFFFAOYSA-N 1 2 233.271 1.158 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CCC2(C)C)[C@H](C)CO1 ZINC000808138085 644874637 /nfs/dbraw/zinc/87/46/37/644874637.db2.gz HOMYWPKOOXADHS-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CCC2(C)C)[C@H](C)CO1 ZINC000808138085 644874641 /nfs/dbraw/zinc/87/46/41/644874641.db2.gz HOMYWPKOOXADHS-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H](C[C@H](C)O)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000252746040 644896643 /nfs/dbraw/zinc/89/66/43/644896643.db2.gz BCKWJOXSVXKPTB-KXUCPTDWSA-N 1 2 231.336 1.466 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000827867236 645087653 /nfs/dbraw/zinc/08/76/53/645087653.db2.gz DKBRRDXORWBSFD-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000827867236 645087658 /nfs/dbraw/zinc/08/76/58/645087658.db2.gz DKBRRDXORWBSFD-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1COC[C@@H]1C)C(C)C ZINC000926524569 645255890 /nfs/dbraw/zinc/25/58/90/645255890.db2.gz PCRSPXNMEBDWAO-TUAOUCFPSA-N 1 2 243.347 1.587 20 0 BDADLO Cc1cc(C)c(C[NH2+][C@@H](C)c2cnn(C)n2)cn1 ZINC000926552878 645277383 /nfs/dbraw/zinc/27/73/83/645277383.db2.gz ZFQWVDSTGDKFGE-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cnn(C)n2)cc(C)n1 ZINC000926601710 645310308 /nfs/dbraw/zinc/31/03/08/645310308.db2.gz PYZQNAGZPIDRJY-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cnn(C)n1 ZINC000926800654 645438110 /nfs/dbraw/zinc/43/81/10/645438110.db2.gz ZWXWJNKVPUCEAT-FSDSQADBSA-N 1 2 234.225 1.417 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H](O)c2ccccc2)o1 ZINC000852471519 645485117 /nfs/dbraw/zinc/48/51/17/645485117.db2.gz SZMFYNYIPWPSMT-GFCCVEGCSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)c2ccccc2)o1 ZINC000852471519 645485122 /nfs/dbraw/zinc/48/51/22/645485122.db2.gz SZMFYNYIPWPSMT-GFCCVEGCSA-N 1 2 247.298 1.543 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCSC1 ZINC000854476563 645506121 /nfs/dbraw/zinc/50/61/21/645506121.db2.gz KKVPXDDKSSKHOE-VIFPVBQESA-N 1 2 239.344 1.212 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC1(F)F ZINC000854477644 645506642 /nfs/dbraw/zinc/50/66/42/645506642.db2.gz MPBYXSSDEPYPQV-ZETCQYMHSA-N 1 2 229.230 1.256 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000930260341 645554053 /nfs/dbraw/zinc/55/40/53/645554053.db2.gz LJODGNXQYWPRFO-QNPGFEGTSA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C\C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000930260341 645554064 /nfs/dbraw/zinc/55/40/64/645554064.db2.gz LJODGNXQYWPRFO-QNPGFEGTSA-N 1 2 245.388 1.422 20 0 BDADLO CCc1nc(CNC(=O)CCc2[nH]cc[nH+]2)co1 ZINC000857527680 645595828 /nfs/dbraw/zinc/59/58/28/645595828.db2.gz VWWHSLAVPIJIIH-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(F)CCCC2)c1 ZINC000857534242 645602053 /nfs/dbraw/zinc/60/20/53/645602053.db2.gz CHLWBMVMGOPRKI-UHFFFAOYSA-N 1 2 239.294 1.361 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927403603 645602572 /nfs/dbraw/zinc/60/25/72/645602572.db2.gz IWQNPQKHBMLEHL-PWSUYJOCSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@@]1(C(=O)NCc2ccc(N)[nH+]c2)CC1(F)F ZINC000927778108 645654516 /nfs/dbraw/zinc/65/45/16/645654516.db2.gz RXIYYFGEESUDHW-JTQLQIEISA-N 1 2 241.241 1.325 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N)[nH+]c2)C1 ZINC000927778179 645656183 /nfs/dbraw/zinc/65/61/83/645656183.db2.gz UBYRBLKOZIMRSW-MNOVXSKESA-N 1 2 249.314 1.095 20 0 BDADLO Cc1conc1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000878422906 645814134 /nfs/dbraw/zinc/81/41/34/645814134.db2.gz NVNMANWQRPVQOH-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491535 645814905 /nfs/dbraw/zinc/81/49/05/645814905.db2.gz NHJJOVQPKVTPJK-NRUUGDAUSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000878491535 645814908 /nfs/dbraw/zinc/81/49/08/645814908.db2.gz NHJJOVQPKVTPJK-NRUUGDAUSA-N 1 2 248.330 1.120 20 0 BDADLO C/C=C\C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000211436585 645837667 /nfs/dbraw/zinc/83/76/67/645837667.db2.gz MLCFZPIRXZNFMF-ISALQUGTSA-N 1 2 235.331 1.990 20 0 BDADLO COC(C)(C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000928602244 645845098 /nfs/dbraw/zinc/84/50/98/645845098.db2.gz JZDODFWEDRNIRY-VIFPVBQESA-N 1 2 239.319 1.272 20 0 BDADLO COC(C)(C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000928602244 645845104 /nfs/dbraw/zinc/84/51/04/645845104.db2.gz JZDODFWEDRNIRY-VIFPVBQESA-N 1 2 239.319 1.272 20 0 BDADLO CC[C@](C)(OC)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000924074753 645975562 /nfs/dbraw/zinc/97/55/62/645975562.db2.gz GUEGHBNVNHRZLD-KCJUWKMLSA-N 1 2 227.308 1.964 20 0 BDADLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)C=CCC1 ZINC000929156643 645979153 /nfs/dbraw/zinc/97/91/53/645979153.db2.gz OIVIIPBJDVMSSS-ZDUSSCGKSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC2(CCC2)CO1 ZINC000924113949 645982249 /nfs/dbraw/zinc/98/22/49/645982249.db2.gz KLCVHXCVZWOSHO-SNVBAGLBSA-N 1 2 249.314 1.028 20 0 BDADLO CC(C)C1(C(=O)OCCn2cc[nH+]c2)COC1 ZINC000924204693 646008654 /nfs/dbraw/zinc/00/86/54/646008654.db2.gz TVOLUQYLLFWNRS-UHFFFAOYSA-N 1 2 238.287 1.099 20 0 BDADLO c1cc(CC[NH+]2CCN(C3CC3)CC2)sn1 ZINC000929360077 646094165 /nfs/dbraw/zinc/09/41/65/646094165.db2.gz BBLNSCSNMZXBLF-UHFFFAOYSA-N 1 2 237.372 1.466 20 0 BDADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)CO ZINC000929470796 646129731 /nfs/dbraw/zinc/12/97/31/646129731.db2.gz ZMKPASXQKLTSAP-VIFPVBQESA-N 1 2 245.269 1.140 20 0 BDADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)CO ZINC000929470796 646129737 /nfs/dbraw/zinc/12/97/37/646129737.db2.gz ZMKPASXQKLTSAP-VIFPVBQESA-N 1 2 245.269 1.140 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000929482909 646135719 /nfs/dbraw/zinc/13/57/19/646135719.db2.gz WCGBYQNIZQXXDA-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCCNC(=O)C2)c1 ZINC000929482909 646135725 /nfs/dbraw/zinc/13/57/25/646135725.db2.gz WCGBYQNIZQXXDA-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929594544 646191392 /nfs/dbraw/zinc/19/13/92/646191392.db2.gz FQTYNBWUKBAVPG-RKDXNWHRSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929594544 646191396 /nfs/dbraw/zinc/19/13/96/646191396.db2.gz FQTYNBWUKBAVPG-RKDXNWHRSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](c1ncccn1)[N@H+](C)CCn1cccn1 ZINC000929621120 646206589 /nfs/dbraw/zinc/20/65/89/646206589.db2.gz IQENMCOHTQBSHX-LLVKDONJSA-N 1 2 231.303 1.366 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+](C)CCn1cccn1 ZINC000929621120 646206592 /nfs/dbraw/zinc/20/65/92/646206592.db2.gz IQENMCOHTQBSHX-LLVKDONJSA-N 1 2 231.303 1.366 20 0 BDADLO C(C[NH+]1CCN(C2CCC2)CC1)OC1CC1 ZINC000929639518 646215877 /nfs/dbraw/zinc/21/58/77/646215877.db2.gz OUITWPSPVDASNN-UHFFFAOYSA-N 1 2 224.348 1.336 20 0 BDADLO CC[C@@H]1C(=O)NCCN1Cc1cc(C)cc(C)[nH+]1 ZINC000929682178 646239991 /nfs/dbraw/zinc/23/99/91/646239991.db2.gz DAFMJHWRDBEJBW-CYBMUJFWSA-N 1 2 247.342 1.409 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2c(F)cncc2F)C1 ZINC000929791967 646323265 /nfs/dbraw/zinc/32/32/65/646323265.db2.gz IQWTWSKAVVTYKX-MRVPVSSYSA-N 1 2 228.242 1.581 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000929791967 646323269 /nfs/dbraw/zinc/32/32/69/646323269.db2.gz IQWTWSKAVVTYKX-MRVPVSSYSA-N 1 2 228.242 1.581 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOC1CC1 ZINC000929837474 646353175 /nfs/dbraw/zinc/35/31/75/646353175.db2.gz WPYCWGWTHGIDRK-SNVBAGLBSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOC1CC1 ZINC000929837474 646353179 /nfs/dbraw/zinc/35/31/79/646353179.db2.gz WPYCWGWTHGIDRK-SNVBAGLBSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1nn(C)cc1C ZINC000930123729 646447415 /nfs/dbraw/zinc/44/74/15/646447415.db2.gz JDXDVLKAPORGTI-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1nn(C)cc1C ZINC000930123729 646447418 /nfs/dbraw/zinc/44/74/18/646447418.db2.gz JDXDVLKAPORGTI-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000930129633 646452938 /nfs/dbraw/zinc/45/29/38/646452938.db2.gz ABHAWZNMKLTBMV-PCAWENJQSA-N 1 2 239.315 1.217 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC[C@H]1C1CC1 ZINC000930129633 646452942 /nfs/dbraw/zinc/45/29/42/646452942.db2.gz ABHAWZNMKLTBMV-PCAWENJQSA-N 1 2 239.315 1.217 20 0 BDADLO COC/C(C)=C/C[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000930152904 646463033 /nfs/dbraw/zinc/46/30/33/646463033.db2.gz SHBHBXBKWSDORL-UTSBKAFOSA-N 1 2 241.331 1.510 20 0 BDADLO CC(C)c1nsc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000930162598 646467009 /nfs/dbraw/zinc/46/70/09/646467009.db2.gz PJRYPXZHBHAUMP-IUCAKERBSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000930162598 646467014 /nfs/dbraw/zinc/46/70/14/646467014.db2.gz PJRYPXZHBHAUMP-IUCAKERBSA-N 1 2 241.360 1.474 20 0 BDADLO FC1=CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000930175690 646477538 /nfs/dbraw/zinc/47/75/38/646477538.db2.gz VBLMBVJALKBNJD-LLVKDONJSA-N 1 2 215.268 1.351 20 0 BDADLO FC1=CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000930175690 646477544 /nfs/dbraw/zinc/47/75/44/646477544.db2.gz VBLMBVJALKBNJD-LLVKDONJSA-N 1 2 215.268 1.351 20 0 BDADLO CCS(=O)(CC)=NC(=O)CCc1c[nH]c[nH+]1 ZINC000925884530 646533089 /nfs/dbraw/zinc/53/30/89/646533089.db2.gz XRMXPWNEWQBLSO-UHFFFAOYSA-N 1 2 243.332 1.377 20 0 BDADLO CCS(=O)(CC)=NC(=O)CCc1c[nH+]c[nH]1 ZINC000925884530 646533091 /nfs/dbraw/zinc/53/30/91/646533091.db2.gz XRMXPWNEWQBLSO-UHFFFAOYSA-N 1 2 243.332 1.377 20 0 BDADLO CC[N@H+]1C[C@H](N[C@H]2CCC2(OC)OC)[C@@H](C)C1 ZINC000925929032 646544618 /nfs/dbraw/zinc/54/46/18/646544618.db2.gz IHGUGABYOIOLFM-SRVKXCTJSA-N 1 2 242.363 1.068 20 0 BDADLO CC[N@@H+]1C[C@H](N[C@H]2CCC2(OC)OC)[C@@H](C)C1 ZINC000925929032 646544620 /nfs/dbraw/zinc/54/46/20/646544620.db2.gz IHGUGABYOIOLFM-SRVKXCTJSA-N 1 2 242.363 1.068 20 0 BDADLO CC[C@H]1COC[C@H]1[NH2+]C1(C(F)F)CC1 ZINC000926364365 646621196 /nfs/dbraw/zinc/62/11/96/646621196.db2.gz HTMWPELJCUVJFU-JGVFFNPUSA-N 1 2 205.248 1.799 20 0 BDADLO CCC(C)(C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724727831 711609900 /nfs/dbraw/zinc/60/99/00/711609900.db2.gz QJCHHSRJMMNPNW-LURJTMIESA-N 1 2 208.252 1.274 20 0 BDADLO CCCN(CC1CC1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724753807 711610737 /nfs/dbraw/zinc/61/07/37/711610737.db2.gz ZQTPTEMYAGEKOJ-VIFPVBQESA-N 1 2 234.290 1.618 20 0 BDADLO CCCN(CCC)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724726649 711610058 /nfs/dbraw/zinc/61/00/58/711610058.db2.gz FWCNDJGCHXYKIW-MRVPVSSYSA-N 1 2 222.279 1.618 20 0 BDADLO Cc1ccc(CNC(=O)C[C@H]([NH3+])C(F)F)s1 ZINC000724738924 711610174 /nfs/dbraw/zinc/61/01/74/711610174.db2.gz JMADCJDPJJRJLM-QMMMGPOBSA-N 1 2 248.298 1.655 20 0 BDADLO [NH3+][C@H](CC(=O)NCC1CCCCC1)C(F)F ZINC000724750786 711610532 /nfs/dbraw/zinc/61/05/32/711610532.db2.gz FZMKXOJZXNRJIY-SECBINFHSA-N 1 2 234.290 1.665 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724749888 711610651 /nfs/dbraw/zinc/61/06/51/711610651.db2.gz BFNMYFUUKSABCI-HLTSFMKQSA-N 1 2 234.290 1.473 20 0 BDADLO S=C(NCCCCn1cc[nH+]c1)NC1CC1 ZINC000136138255 711647143 /nfs/dbraw/zinc/64/71/43/711647143.db2.gz PZPLWUMWSNGLKL-UHFFFAOYSA-N 1 2 238.360 1.290 20 0 BDADLO FC(F)(F)[C@H]1CC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000722389495 711753120 /nfs/dbraw/zinc/75/31/20/711753120.db2.gz OHQJDUDINDYLFI-RKDXNWHRSA-N 1 2 249.236 1.609 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C(F)F ZINC000392698985 711790691 /nfs/dbraw/zinc/79/06/91/711790691.db2.gz UGCVDQQJXJCPAM-LURJTMIESA-N 1 2 202.204 1.530 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CC1(SC)CC1 ZINC000227936073 711833264 /nfs/dbraw/zinc/83/32/64/711833264.db2.gz TZIMEBAMINRFFG-QMMMGPOBSA-N 1 2 217.334 1.423 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2coc(C)n2)C1 ZINC001046092175 711845151 /nfs/dbraw/zinc/84/51/51/711845151.db2.gz XHHVGWWGNQFOGR-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2coc(C)n2)C1 ZINC001046092175 711845154 /nfs/dbraw/zinc/84/51/54/711845154.db2.gz XHHVGWWGNQFOGR-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001032850178 711962718 /nfs/dbraw/zinc/96/27/18/711962718.db2.gz BBAFFSXOKKDJBY-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001032850178 711962719 /nfs/dbraw/zinc/96/27/19/711962719.db2.gz BBAFFSXOKKDJBY-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(Cl)n1 ZINC000700243946 711989247 /nfs/dbraw/zinc/98/92/47/711989247.db2.gz NNWIJHFDEWDFCZ-VIFPVBQESA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cccc(Cl)n1 ZINC000700243946 711989249 /nfs/dbraw/zinc/98/92/49/711989249.db2.gz NNWIJHFDEWDFCZ-VIFPVBQESA-N 1 2 241.722 1.478 20 0 BDADLO CC[C@H]([NH2+]CCC1SCCS1)C(=O)OC ZINC000703311877 712072038 /nfs/dbraw/zinc/07/20/38/712072038.db2.gz NEJNBWVMMNCTKD-QMMMGPOBSA-N 1 2 249.401 1.724 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@](C)(O)C(F)F ZINC000704793554 712117872 /nfs/dbraw/zinc/11/78/72/712117872.db2.gz HWKAIHKSRLKZJQ-ZCFIWIBFSA-N 1 2 203.179 1.247 20 0 BDADLO C[C@@H]([NH2+]Cc1ccco1)c1cn(C)cn1 ZINC000709985528 712237474 /nfs/dbraw/zinc/23/74/74/712237474.db2.gz FBIUVQGYHHWNLF-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000711302009 712293531 /nfs/dbraw/zinc/29/35/31/712293531.db2.gz KWBDUJYJEBELRD-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000711302009 712293533 /nfs/dbraw/zinc/29/35/33/712293533.db2.gz KWBDUJYJEBELRD-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1nonc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000812862212 712587292 /nfs/dbraw/zinc/58/72/92/712587292.db2.gz QGJGAKNELGEUOC-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nonc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000812862212 712587293 /nfs/dbraw/zinc/58/72/93/712587293.db2.gz QGJGAKNELGEUOC-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)C1CCC1)C(=O)OC(C)(C)C ZINC000717640893 712662897 /nfs/dbraw/zinc/66/28/97/712662897.db2.gz BLHVPBSCGAGQAZ-MWLCHTKSSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1occc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720600524 712857239 /nfs/dbraw/zinc/85/72/39/712857239.db2.gz DHWNJIHRIYSNBF-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000381448734 710637359 /nfs/dbraw/zinc/63/73/59/710637359.db2.gz GRGNUBSKRADQJB-WCBMZHEXSA-N 1 2 229.320 1.077 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723611895 710729269 /nfs/dbraw/zinc/72/92/69/710729269.db2.gz ZCUUVZPSIKEFJJ-HBNTYKKESA-N 1 2 236.319 1.100 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723611895 710729270 /nfs/dbraw/zinc/72/92/70/710729270.db2.gz ZCUUVZPSIKEFJJ-HBNTYKKESA-N 1 2 236.319 1.100 20 0 BDADLO Cc1cn(C)nc1CSc1nc(N)cc(C)[nH+]1 ZINC000723934708 710734227 /nfs/dbraw/zinc/73/42/27/710734227.db2.gz JZXSMSJTWZRWML-UHFFFAOYSA-N 1 2 249.343 1.701 20 0 BDADLO CC(=O)N(C)C1C[NH+](C/C=C\c2ccccc2)C1 ZINC001042384972 710777561 /nfs/dbraw/zinc/77/75/61/710777561.db2.gz NZJXVXIGDDQZOH-TWGQIWQCSA-N 1 2 244.338 1.862 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2ccsc2)C1 ZINC001042393809 710779744 /nfs/dbraw/zinc/77/97/44/710779744.db2.gz ZIWVCMRLJAPCBO-UHFFFAOYSA-N 1 2 224.329 1.411 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC001042495672 710788568 /nfs/dbraw/zinc/78/85/68/710788568.db2.gz MGOAOMOWQFAEPZ-UHFFFAOYSA-N 1 2 248.330 1.132 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001042495672 710788571 /nfs/dbraw/zinc/78/85/71/710788571.db2.gz MGOAOMOWQFAEPZ-UHFFFAOYSA-N 1 2 248.330 1.132 20 0 BDADLO CC(C)[NH+]1CC(N(C)C(=O)c2cncs2)C1 ZINC001042514680 710790181 /nfs/dbraw/zinc/79/01/81/710790181.db2.gz YYYXOUKEUCIQRL-UHFFFAOYSA-N 1 2 239.344 1.308 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC001042765020 710798616 /nfs/dbraw/zinc/79/86/16/710798616.db2.gz KJNVTBFMRKRKOE-UHFFFAOYSA-N 1 2 247.342 1.737 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001043993007 710816476 /nfs/dbraw/zinc/81/64/76/710816476.db2.gz XRSMBQPXTZWHAG-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)c2oncc2C)C1 ZINC001044134445 710819800 /nfs/dbraw/zinc/81/98/00/710819800.db2.gz VEPVHIKVOGTHFP-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CCc1cc(C(=O)N(C)C2C[NH+](CC)C2)no1 ZINC001044201532 710821306 /nfs/dbraw/zinc/82/13/06/710821306.db2.gz MOMPEVZWQLKPAR-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C)CO2 ZINC001053991468 710923588 /nfs/dbraw/zinc/92/35/88/710923588.db2.gz UXZRAYAVOYIRFW-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO CCC(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001057820068 710965165 /nfs/dbraw/zinc/96/51/65/710965165.db2.gz HLDFEQHAVREIAG-UHFFFAOYSA-N 1 2 248.330 1.280 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncc[nH]2)[nH]n1 ZINC000389567772 711079816 /nfs/dbraw/zinc/07/98/16/711079816.db2.gz AMRGMRGMCIQTGK-QMMMGPOBSA-N 1 2 205.265 1.292 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(Cl)nc1 ZINC000390542949 711124595 /nfs/dbraw/zinc/12/45/95/711124595.db2.gz SFBCAYIWMWKJDU-UHFFFAOYSA-N 1 2 236.662 1.570 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)OCC ZINC000390752501 711132065 /nfs/dbraw/zinc/13/20/65/711132065.db2.gz DRVXJNGKMWQXEU-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)C(F)F)C[N@@H+]1CCF ZINC001071291944 711185843 /nfs/dbraw/zinc/18/58/43/711185843.db2.gz RITPEQYFFVSDJV-YUMQZZPRSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)C(F)F)C[N@H+]1CCF ZINC001071291944 711185844 /nfs/dbraw/zinc/18/58/44/711185844.db2.gz RITPEQYFFVSDJV-YUMQZZPRSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C(F)F)C[N@@H+]1CCF ZINC001071291943 711186214 /nfs/dbraw/zinc/18/62/14/711186214.db2.gz RITPEQYFFVSDJV-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C(F)F)C[N@H+]1CCF ZINC001071291943 711186218 /nfs/dbraw/zinc/18/62/18/711186218.db2.gz RITPEQYFFVSDJV-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO CCC(CC)c1noc(C[NH2+]CCOC)n1 ZINC000395144010 711201738 /nfs/dbraw/zinc/20/17/38/711201738.db2.gz DRJFFSAYFACXOL-UHFFFAOYSA-N 1 2 227.308 1.709 20 0 BDADLO C/C=C\C(=O)NCc1c[nH+]c(C)cc1C ZINC000397118143 711376489 /nfs/dbraw/zinc/37/64/89/711376489.db2.gz XBNCZPIXSOVTNH-PLNGDYQASA-N 1 2 204.273 1.891 20 0 BDADLO CC[C@H](O)CCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000398595791 711413479 /nfs/dbraw/zinc/41/34/79/711413479.db2.gz UJPBOZICHPWVBY-QWRGUYRKSA-N 1 2 245.363 1.857 20 0 BDADLO CN1C(=O)C2(CCCC2)[NH2+][C@@]12CCCSC2 ZINC000381149947 710604415 /nfs/dbraw/zinc/60/44/15/710604415.db2.gz AIOXTXLCZYWFCC-LBPRGKRZSA-N 1 2 240.372 1.584 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCCc3n[nH]cc32)no1 ZINC000381194051 710608060 /nfs/dbraw/zinc/60/80/60/710608060.db2.gz ZMKDJKQSCDYUGE-SNVBAGLBSA-N 1 2 218.260 1.565 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC000381313410 710620490 /nfs/dbraw/zinc/62/04/90/710620490.db2.gz AVZSZSLYNJJZID-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)[nH]1 ZINC000392412272 711146475 /nfs/dbraw/zinc/14/64/75/711146475.db2.gz CNABHNQQZGCNLQ-HTQZYQBOSA-N 1 2 234.307 1.258 20 0 BDADLO CCCn1nccc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392411447 711146987 /nfs/dbraw/zinc/14/69/87/711146987.db2.gz BIFVZMHWGMHWND-SECBINFHSA-N 1 2 248.334 1.570 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000396968043 711373859 /nfs/dbraw/zinc/37/38/59/711373859.db2.gz KDOHYAUUFHUQMO-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cnsn1 ZINC000399825659 711436522 /nfs/dbraw/zinc/43/65/22/711436522.db2.gz CGOIZDSXGQLKJF-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cnsn1 ZINC000399825659 711436524 /nfs/dbraw/zinc/43/65/24/711436524.db2.gz CGOIZDSXGQLKJF-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000932333994 711453609 /nfs/dbraw/zinc/45/36/09/711453609.db2.gz CYBJWOZVRQOXHN-LLVKDONJSA-N 1 2 235.331 1.440 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000932333994 711453610 /nfs/dbraw/zinc/45/36/10/711453610.db2.gz CYBJWOZVRQOXHN-LLVKDONJSA-N 1 2 235.331 1.440 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc(Cl)cs2)n1 ZINC000382356109 711498440 /nfs/dbraw/zinc/49/84/40/711498440.db2.gz ICMPNEOBAXOFKJ-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO Cc1cccc(N)c1C(=O)OCCn1cc[nH+]c1 ZINC000386234970 711500116 /nfs/dbraw/zinc/50/01/16/711500116.db2.gz NKLFHNKDNFYXCS-UHFFFAOYSA-N 1 2 245.282 1.631 20 0 BDADLO Cc1cn(C)nc1C[NH2+][C@@H](C)c1nccnc1C ZINC000723489927 711513190 /nfs/dbraw/zinc/51/31/90/711513190.db2.gz WAVILAIEDWCXMY-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO C[N@@H+]1CC[C@H]1CNCc1nc(C(C)(C)C)co1 ZINC000724425780 711579608 /nfs/dbraw/zinc/57/96/08/711579608.db2.gz YQUXHZILGMWVDB-JTQLQIEISA-N 1 2 237.347 1.766 20 0 BDADLO C[N@H+]1CC[C@H]1CNCc1nc(C(C)(C)C)co1 ZINC000724425780 711579612 /nfs/dbraw/zinc/57/96/12/711579612.db2.gz YQUXHZILGMWVDB-JTQLQIEISA-N 1 2 237.347 1.766 20 0 BDADLO COC(=O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724684078 711608488 /nfs/dbraw/zinc/60/84/88/711608488.db2.gz JIKRGAZMEGPUTL-UHFFFAOYSA-N 1 2 215.268 1.374 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000724749923 711610483 /nfs/dbraw/zinc/61/04/83/711610483.db2.gz BNFHPUAVFPOPEZ-BDAKNGLRSA-N 1 2 234.290 1.760 20 0 BDADLO CCOC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000725022817 711643680 /nfs/dbraw/zinc/64/36/80/711643680.db2.gz FCFRBCSFKOSRKF-LLVKDONJSA-N 1 2 229.320 1.080 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N1CC[C@H]1C(F)F ZINC000931423105 711711834 /nfs/dbraw/zinc/71/18/34/711711834.db2.gz BDQNETVPAHFFLR-UWVGGRQHSA-N 1 2 234.290 1.047 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)o1 ZINC001010046919 711738171 /nfs/dbraw/zinc/73/81/71/711738171.db2.gz ZEGOMJZSOYSJQN-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)o1 ZINC001010046919 711738169 /nfs/dbraw/zinc/73/81/69/711738169.db2.gz ZEGOMJZSOYSJQN-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO CCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001058824116 711742848 /nfs/dbraw/zinc/74/28/48/711742848.db2.gz VHFXELSBVHLUFS-NSHDSACASA-N 1 2 248.330 1.598 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000924949412 711766793 /nfs/dbraw/zinc/76/67/93/711766793.db2.gz LABADNCQDQQQJH-APPZFPTMSA-N 1 2 249.318 1.832 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](NC(=O)C(C)C)C2)cc[nH+]1 ZINC001059153651 711771233 /nfs/dbraw/zinc/77/12/33/711771233.db2.gz VUHABYHFQWHFCK-XYPYZODXSA-N 1 2 248.330 1.500 20 0 BDADLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029261076 711775805 /nfs/dbraw/zinc/77/58/05/711775805.db2.gz CMJDETSSSBIDGZ-MCDZVTHESA-N 1 2 240.322 1.597 20 0 BDADLO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029261076 711775807 /nfs/dbraw/zinc/77/58/07/711775807.db2.gz CMJDETSSSBIDGZ-MCDZVTHESA-N 1 2 240.322 1.597 20 0 BDADLO CC[C@H]1OCCC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030422711 711832871 /nfs/dbraw/zinc/83/28/71/711832871.db2.gz GFAFKWHXYMJFAE-VXGBXAGGSA-N 1 2 240.347 1.012 20 0 BDADLO CCOc1cc(NCc2c[nH+]cn2C)nc(C)n1 ZINC000388473535 711883058 /nfs/dbraw/zinc/88/30/58/711883058.db2.gz PFIZEXGWHOJHKT-UHFFFAOYSA-N 1 2 247.302 1.529 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](C)CCO)C(=O)OC(C)(C)C ZINC000085494605 711935551 /nfs/dbraw/zinc/93/55/51/711935551.db2.gz XRIWNDQTMHPVHK-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1scnc1Cl ZINC000721920555 711937274 /nfs/dbraw/zinc/93/72/74/711937274.db2.gz GYYIJNTXBXFDQL-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1scnc1Cl ZINC000721920555 711937275 /nfs/dbraw/zinc/93/72/75/711937275.db2.gz GYYIJNTXBXFDQL-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CNc1cc(N2C[C@H](C)OC(C)(C)C2)nc[nH+]1 ZINC000132314603 711956693 /nfs/dbraw/zinc/95/66/93/711956693.db2.gz QQYUTVQEVIRCOD-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2C[C@H](C)OC(C)(C)C2)[nH+]cn1 ZINC000132314603 711956695 /nfs/dbraw/zinc/95/66/95/711956695.db2.gz QQYUTVQEVIRCOD-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001032849055 711962777 /nfs/dbraw/zinc/96/27/77/711962777.db2.gz WCOUQTIFKQHKMI-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001032849055 711962778 /nfs/dbraw/zinc/96/27/78/711962778.db2.gz WCOUQTIFKQHKMI-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CN(C(=O)C(C)(C)F)[C@H]1CC[N@H+](CCF)C1 ZINC001032860769 711965023 /nfs/dbraw/zinc/96/50/23/711965023.db2.gz HACYGXITMHZJRR-VIFPVBQESA-N 1 2 234.290 1.237 20 0 BDADLO CN(C(=O)C(C)(C)F)[C@H]1CC[N@@H+](CCF)C1 ZINC001032860769 711965024 /nfs/dbraw/zinc/96/50/24/711965024.db2.gz HACYGXITMHZJRR-VIFPVBQESA-N 1 2 234.290 1.237 20 0 BDADLO c1[nH]nc2c1[C@@H]([NH2+]Cc1ncccn1)CCC2 ZINC000702347602 712045496 /nfs/dbraw/zinc/04/54/96/712045496.db2.gz ZGHNHXUYEYJQOW-JTQLQIEISA-N 1 2 229.287 1.367 20 0 BDADLO Clc1cccc(Cl)c1C[NH2+][C@@H]1CNOC1 ZINC000703301119 712071055 /nfs/dbraw/zinc/07/10/55/712071055.db2.gz XSCRKLDRTFARBC-SSDOTTSWSA-N 1 2 247.125 1.986 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000704793264 712117835 /nfs/dbraw/zinc/11/78/35/712117835.db2.gz UWCHVCDUFMTXTM-BDAKNGLRSA-N 1 2 235.274 1.773 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000704793264 712117836 /nfs/dbraw/zinc/11/78/36/712117836.db2.gz UWCHVCDUFMTXTM-BDAKNGLRSA-N 1 2 235.274 1.773 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC(SC)C1 ZINC000706955080 712162845 /nfs/dbraw/zinc/16/28/45/712162845.db2.gz FEXXOHSPCGZKRW-KKMMWDRVSA-N 1 2 203.307 1.032 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062743 712164638 /nfs/dbraw/zinc/16/46/38/712164638.db2.gz KNXBGMAIBUGFFV-APPZFPTMSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062743 712164639 /nfs/dbraw/zinc/16/46/39/712164639.db2.gz KNXBGMAIBUGFFV-APPZFPTMSA-N 1 2 229.711 1.029 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709059013 712207212 /nfs/dbraw/zinc/20/72/12/712207212.db2.gz FEXHSEWTPWNOET-VIFPVBQESA-N 1 2 239.237 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709059013 712207213 /nfs/dbraw/zinc/20/72/13/712207213.db2.gz FEXHSEWTPWNOET-VIFPVBQESA-N 1 2 239.237 1.824 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000710053997 712243538 /nfs/dbraw/zinc/24/35/38/712243538.db2.gz KWHQSYQSOYPICX-KOLCDFICSA-N 1 2 245.330 1.930 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1C=CCC1 ZINC000711705774 712319124 /nfs/dbraw/zinc/31/91/24/712319124.db2.gz WKIICOKCNPUBOP-VIFPVBQESA-N 1 2 229.287 1.741 20 0 BDADLO COC(C)(C)CCNc1cc[nH+]cc1F ZINC000711905651 712337462 /nfs/dbraw/zinc/33/74/62/712337462.db2.gz BHPIUIWEQHKMTH-UHFFFAOYSA-N 1 2 212.268 1.870 20 0 BDADLO CCN(C(C)=O)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001063070771 712342058 /nfs/dbraw/zinc/34/20/58/712342058.db2.gz BLPZPCCDTXMXGI-GFCCVEGCSA-N 1 2 248.330 1.232 20 0 BDADLO Fc1c[nH+]ccc1N1CCC2(CC1)OCCO2 ZINC000606290642 712352583 /nfs/dbraw/zinc/35/25/83/712352583.db2.gz ZXQKGLJTDGIAEK-UHFFFAOYSA-N 1 2 238.262 1.564 20 0 BDADLO CC[NH2+]Cc1noc(CCCCOC)n1 ZINC000379432419 712384622 /nfs/dbraw/zinc/38/46/22/712384622.db2.gz FUKFAYGURAVKSB-UHFFFAOYSA-N 1 2 213.281 1.148 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cscc2C)n1 ZINC000839062758 712402059 /nfs/dbraw/zinc/40/20/59/712402059.db2.gz FEAQEOPPYYGGPW-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CNC(=S)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759133197 712409028 /nfs/dbraw/zinc/40/90/28/712409028.db2.gz CKAMHCGGNQEQJI-ZJUUUORDSA-N 1 2 238.360 1.270 20 0 BDADLO CC(C)n1ccnc1CNC[C@H]1CC[N@@H+]1C ZINC000712578265 712432897 /nfs/dbraw/zinc/43/28/97/712432897.db2.gz APCDCKVUDOGDLT-LLVKDONJSA-N 1 2 222.336 1.258 20 0 BDADLO CC(C)n1ccnc1CNC[C@H]1CC[N@H+]1C ZINC000712578265 712432898 /nfs/dbraw/zinc/43/28/98/712432898.db2.gz APCDCKVUDOGDLT-LLVKDONJSA-N 1 2 222.336 1.258 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712794287 712449398 /nfs/dbraw/zinc/44/93/98/712449398.db2.gz FNVMRFULVFCPFM-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)CC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712794287 712449399 /nfs/dbraw/zinc/44/93/99/712449399.db2.gz FNVMRFULVFCPFM-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712794269 712449486 /nfs/dbraw/zinc/44/94/86/712449486.db2.gz FNVMRFULVFCPFM-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712794269 712449487 /nfs/dbraw/zinc/44/94/87/712449487.db2.gz FNVMRFULVFCPFM-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712948483 712450167 /nfs/dbraw/zinc/45/01/67/712450167.db2.gz DMJLMYLKRLZFAV-QWRGUYRKSA-N 1 2 233.315 1.771 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](OC)C23CCC3)nc[nH+]1 ZINC000713111144 712452823 /nfs/dbraw/zinc/45/28/23/712452823.db2.gz BYSREJWZNNPJNE-VHSXEESVSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](OC)C23CCC3)[nH+]cn1 ZINC000713111144 712452824 /nfs/dbraw/zinc/45/28/24/712452824.db2.gz BYSREJWZNNPJNE-VHSXEESVSA-N 1 2 248.330 1.888 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714382197 712483792 /nfs/dbraw/zinc/48/37/92/712483792.db2.gz IPIUVLAWUNIQNL-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714382197 712483793 /nfs/dbraw/zinc/48/37/93/712483793.db2.gz IPIUVLAWUNIQNL-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)OC ZINC000715435123 712518952 /nfs/dbraw/zinc/51/89/52/712518952.db2.gz HJHSVIRIUASXGL-SRVKXCTJSA-N 1 2 241.331 1.485 20 0 BDADLO O=C1C[C@@H](Nc2cc[nH+]cc2F)CN1CC1CC1 ZINC000716815963 712576414 /nfs/dbraw/zinc/57/64/14/712576414.db2.gz FIQJOHRLNTVBFO-SNVBAGLBSA-N 1 2 249.289 1.065 20 0 BDADLO CC(C)=CC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000156692396 712721627 /nfs/dbraw/zinc/72/16/27/712721627.db2.gz GNLOAVURCWDBSB-UHFFFAOYSA-N 1 2 231.361 1.462 20 0 BDADLO CC(C)=CC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000156692396 712721629 /nfs/dbraw/zinc/72/16/29/712721629.db2.gz GNLOAVURCWDBSB-UHFFFAOYSA-N 1 2 231.361 1.462 20 0 BDADLO Cc1nc(C[NH2+]C2(C(N)=O)CCCC2)oc1C ZINC000081151601 712729120 /nfs/dbraw/zinc/72/91/20/712729120.db2.gz VEJPOZFIKFOYIP-UHFFFAOYSA-N 1 2 237.303 1.179 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)no1 ZINC000719640215 712815341 /nfs/dbraw/zinc/81/53/41/712815341.db2.gz RJRAURGSFGEJOH-JTQLQIEISA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)no1 ZINC000719640215 712815343 /nfs/dbraw/zinc/81/53/43/712815343.db2.gz RJRAURGSFGEJOH-JTQLQIEISA-N 1 2 239.319 1.361 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)CCO1 ZINC000720453712 712844613 /nfs/dbraw/zinc/84/46/13/712844613.db2.gz LYJZOYCVUCLMGN-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)CCO1 ZINC000720453712 712844614 /nfs/dbraw/zinc/84/46/14/712844614.db2.gz LYJZOYCVUCLMGN-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[C@H]1CCCO1 ZINC000720596814 712856687 /nfs/dbraw/zinc/85/66/87/712856687.db2.gz NUGNWJACPBMYQM-GZMMTYOYSA-N 1 2 237.303 1.149 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720789065 712865927 /nfs/dbraw/zinc/86/59/27/712865927.db2.gz OFGKTCPSZNHSNI-VWYCJHECSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720789065 712865928 /nfs/dbraw/zinc/86/59/28/712865928.db2.gz OFGKTCPSZNHSNI-VWYCJHECSA-N 1 2 227.304 1.049 20 0 BDADLO CCCNc1cc(NC[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000720916747 712878147 /nfs/dbraw/zinc/87/81/47/712878147.db2.gz YJHKRPSRTVALKH-MGCOHNPYSA-N 1 2 236.319 1.481 20 0 BDADLO CCCNc1cc(NC[C@H]2C[C@H](O)C2)[nH+]cn1 ZINC000720916747 712878149 /nfs/dbraw/zinc/87/81/49/712878149.db2.gz YJHKRPSRTVALKH-MGCOHNPYSA-N 1 2 236.319 1.481 20 0 BDADLO NC(=O)C1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001204443026 957474199 /nfs/dbraw/zinc/47/41/99/957474199.db2.gz RGQGAOFBNTWQNS-UHFFFAOYSA-N 1 2 230.720 1.319 20 0 BDADLO C[C@H]1C[NH+](Cc2ccncn2)C[C@H](C)O1 ZINC001140344479 958251004 /nfs/dbraw/zinc/25/10/04/958251004.db2.gz AMAUWJHSDBRKDM-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO CC1(C)CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724753256 959358962 /nfs/dbraw/zinc/35/89/62/959358962.db2.gz UTOHORYOJDLORS-MRVPVSSYSA-N 1 2 234.290 1.618 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)n[nH]1 ZINC001203077448 960690547 /nfs/dbraw/zinc/69/05/47/960690547.db2.gz YOZUDNJLLZEMTH-NSHDSACASA-N 1 2 223.320 1.313 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](CCO)C2)n[nH]1 ZINC001203077448 960690554 /nfs/dbraw/zinc/69/05/54/960690554.db2.gz YOZUDNJLLZEMTH-NSHDSACASA-N 1 2 223.320 1.313 20 0 BDADLO CC1(C)C[N@H+](Cc2csnn2)[C@@](C)(CO)C1 ZINC001140992691 960781811 /nfs/dbraw/zinc/78/18/11/960781811.db2.gz RAQKPBKLUYSOAA-LLVKDONJSA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[N@@H+](Cc2csnn2)[C@@](C)(CO)C1 ZINC001140992691 960781824 /nfs/dbraw/zinc/78/18/24/960781824.db2.gz RAQKPBKLUYSOAA-LLVKDONJSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1C[N@@H+](Cc2csnn2)CCC[C@]1(C)O ZINC001140992814 960782421 /nfs/dbraw/zinc/78/24/21/960782421.db2.gz YWEBMTMHLACBQD-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO c1snnc1C[N@@H+]1CC2CCC1CC2 ZINC001140996787 960787169 /nfs/dbraw/zinc/78/71/69/960787169.db2.gz BRHDTJLDBUUCTO-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO c1snnc1C[N@H+]1CC2CCC1CC2 ZINC001140996787 960787192 /nfs/dbraw/zinc/78/71/92/960787192.db2.gz BRHDTJLDBUUCTO-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001141055298 960850663 /nfs/dbraw/zinc/85/06/63/960850663.db2.gz ZBHDWEGORHEADD-NSHDSACASA-N 1 2 222.288 1.594 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001141055298 960850664 /nfs/dbraw/zinc/85/06/64/960850664.db2.gz ZBHDWEGORHEADD-NSHDSACASA-N 1 2 222.288 1.594 20 0 BDADLO C[N@H+](CCF)Cc1scc2c1OCCO2 ZINC001143194769 961930800 /nfs/dbraw/zinc/93/08/00/961930800.db2.gz KLCUXDVGLRXRDX-UHFFFAOYSA-N 1 2 231.292 1.921 20 0 BDADLO C[N@@H+](CCF)Cc1scc2c1OCCO2 ZINC001143194769 961930822 /nfs/dbraw/zinc/93/08/22/961930822.db2.gz KLCUXDVGLRXRDX-UHFFFAOYSA-N 1 2 231.292 1.921 20 0 BDADLO C=CC(=O)OC[C@H](C)Oc1cc[nH+]cc1 ZINC001225290605 962051196 /nfs/dbraw/zinc/05/11/96/962051196.db2.gz CMVQBKKHESAMFQ-VIFPVBQESA-N 1 2 207.229 1.578 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccns1 ZINC001150093624 962146937 /nfs/dbraw/zinc/14/69/37/962146937.db2.gz CQQIHCHVHVHPQY-UHFFFAOYSA-N 1 2 222.273 1.438 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1C(C)C ZINC001152492831 962436128 /nfs/dbraw/zinc/43/61/28/962436128.db2.gz SGTFTKJSJYTQJE-NSHDSACASA-N 1 2 221.304 1.518 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2cccn2C)CC1 ZINC000092973410 962930622 /nfs/dbraw/zinc/93/06/22/962930622.db2.gz PABUATDAOUPVPY-UHFFFAOYSA-N 1 2 235.331 1.079 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1cccs1)C2 ZINC001270246162 962914161 /nfs/dbraw/zinc/91/41/61/962914161.db2.gz ONQSXMXQSKRHDB-UHFFFAOYSA-N 1 2 222.313 1.278 20 0 BDADLO COc1cc(C)c[nH+]c1NCC1OCCO1 ZINC001158200927 963830625 /nfs/dbraw/zinc/83/06/25/963830625.db2.gz JMDXATYWRKYGIL-UHFFFAOYSA-N 1 2 224.260 1.183 20 0 BDADLO CN(c1ccc(Cl)c(N)[nH+]1)[C@H]1CCOC1 ZINC001158574494 963890987 /nfs/dbraw/zinc/89/09/87/963890987.db2.gz YGLADQJPFSLCJC-ZETCQYMHSA-N 1 2 227.695 1.542 20 0 BDADLO CCN(C(=O)[C@]1(C)CC=CCC1)C1C[NH+](C)C1 ZINC001142547573 964380762 /nfs/dbraw/zinc/38/07/62/964380762.db2.gz AMBAUOPPLHBHPP-CQSZACIVSA-N 1 2 236.359 1.895 20 0 BDADLO Cc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1F ZINC001164489049 965895641 /nfs/dbraw/zinc/89/56/41/965895641.db2.gz YFFSBUYGOWNOBF-UHFFFAOYSA-N 1 2 245.248 1.574 20 0 BDADLO COC(CN(C)c1nc(C)[nH+]c(C)c1C)OC ZINC001167029533 966525388 /nfs/dbraw/zinc/52/53/88/966525388.db2.gz IXTNSUIYAPINOM-UHFFFAOYSA-N 1 2 239.319 1.457 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCCC(=O)[C@H](F)C1 ZINC001204588008 967078968 /nfs/dbraw/zinc/07/89/68/967078968.db2.gz RPFVQNSPDAHKQX-SECBINFHSA-N 1 2 225.267 1.221 20 0 BDADLO Cc1cc(C)c(CC(=O)N2CCCC2)c[nH+]1 ZINC001250292089 967627646 /nfs/dbraw/zinc/62/76/46/967627646.db2.gz MHAFIIRHALJINF-UHFFFAOYSA-N 1 2 218.300 1.863 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC001250973359 968233757 /nfs/dbraw/zinc/23/37/57/968233757.db2.gz WQEZOEABLDVJSX-DTWKUNHWSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC001250973359 968233762 /nfs/dbraw/zinc/23/37/62/968233762.db2.gz WQEZOEABLDVJSX-DTWKUNHWSA-N 1 2 241.253 1.266 20 0 BDADLO CC[C@@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001251761010 968314612 /nfs/dbraw/zinc/31/46/12/968314612.db2.gz HTBHGZDQMHNHMG-LLVKDONJSA-N 1 2 223.320 1.721 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001207015433 968549517 /nfs/dbraw/zinc/54/95/17/968549517.db2.gz SJFNIWKEGKUNEV-SECBINFHSA-N 1 2 227.258 1.954 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001207015433 968549525 /nfs/dbraw/zinc/54/95/25/968549525.db2.gz SJFNIWKEGKUNEV-SECBINFHSA-N 1 2 227.258 1.954 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1F ZINC001207148083 968658227 /nfs/dbraw/zinc/65/82/27/968658227.db2.gz WVIUTVLWPSURFE-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1F ZINC001207148083 968658237 /nfs/dbraw/zinc/65/82/37/968658237.db2.gz WVIUTVLWPSURFE-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccns1 ZINC001085447590 968717671 /nfs/dbraw/zinc/71/76/71/968717671.db2.gz FSOFASXVIZKZRL-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccns1 ZINC001085447590 968717680 /nfs/dbraw/zinc/71/76/80/968717680.db2.gz FSOFASXVIZKZRL-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO O=C1CCC[N@@H+](C[C@H]2CCCOC2)C[C@H]1F ZINC001207460720 968784111 /nfs/dbraw/zinc/78/41/11/968784111.db2.gz GWXQYXBKYSULNJ-GHMZBOCLSA-N 1 2 229.295 1.416 20 0 BDADLO O=C1CCC[N@H+](C[C@H]2CCCOC2)C[C@H]1F ZINC001207460720 968784121 /nfs/dbraw/zinc/78/41/21/968784121.db2.gz GWXQYXBKYSULNJ-GHMZBOCLSA-N 1 2 229.295 1.416 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCCCO1 ZINC001207954081 968950800 /nfs/dbraw/zinc/95/08/00/968950800.db2.gz KNCAEFLGVBXUKF-DCAQKATOSA-N 1 2 219.275 1.937 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCCCO1 ZINC001207954081 968950809 /nfs/dbraw/zinc/95/08/09/968950809.db2.gz KNCAEFLGVBXUKF-DCAQKATOSA-N 1 2 219.275 1.937 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H](C)C(F)(F)F)C[C@@H]1F ZINC001208887834 969276296 /nfs/dbraw/zinc/27/62/96/969276296.db2.gz PRYFBQKXPDXKKY-CSMHCCOUSA-N 1 2 229.217 1.854 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H](C)C(F)(F)F)C[C@@H]1F ZINC001208887834 969276301 /nfs/dbraw/zinc/27/63/01/969276301.db2.gz PRYFBQKXPDXKKY-CSMHCCOUSA-N 1 2 229.217 1.854 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253756317 969373723 /nfs/dbraw/zinc/37/37/23/969373723.db2.gz DAOXPNAJXIOVDO-ONGXEEELSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253756317 969373727 /nfs/dbraw/zinc/37/37/27/969373727.db2.gz DAOXPNAJXIOVDO-ONGXEEELSA-N 1 2 217.284 1.006 20 0 BDADLO COCCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209217541 969401709 /nfs/dbraw/zinc/40/17/09/969401709.db2.gz IBFWYWQLHAXIDU-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO COCCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209217541 969401713 /nfs/dbraw/zinc/40/17/13/969401713.db2.gz IBFWYWQLHAXIDU-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO Cc1ccc(NC[C@H]2COCC[N@H+]2C)cn1 ZINC001169653054 969801825 /nfs/dbraw/zinc/80/18/25/969801825.db2.gz DTUOIXLVRGJLBK-LBPRGKRZSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ccc(NC[C@H]2COCC[N@@H+]2C)cn1 ZINC001169653054 969801831 /nfs/dbraw/zinc/80/18/31/969801831.db2.gz DTUOIXLVRGJLBK-LBPRGKRZSA-N 1 2 221.304 1.133 20 0 BDADLO CCOC(=O)C1([NH2+]C2CCC(OC)CC2)CC1 ZINC001255448516 970181411 /nfs/dbraw/zinc/18/14/11/970181411.db2.gz WFDMLDLBGBSGET-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@@H]1CC[C@@H]([NH2+]C2(C(=O)OC)CC2)C1 ZINC001173260405 975108847 /nfs/dbraw/zinc/10/88/47/975108847.db2.gz LHKBDOWCWBWQCV-NXEZZACHSA-N 1 2 211.305 1.860 20 0 BDADLO Cc1nnc(CC[N@H+](C)Cc2ccon2)o1 ZINC001332652622 975238496 /nfs/dbraw/zinc/23/84/96/975238496.db2.gz MRGCWORTSJLHNJ-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C=CCCC1 ZINC001334266880 976416152 /nfs/dbraw/zinc/41/61/52/976416152.db2.gz DYPGUEURQVLTJG-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO Cc1ncnc(C)c1OC1C[NH+](C(C)(C)C)C1 ZINC001228850303 976529745 /nfs/dbraw/zinc/52/97/45/976529745.db2.gz JHEUHPABWWDVKA-UHFFFAOYSA-N 1 2 235.331 1.955 20 0 BDADLO CC1CC(C[N@@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC001335890503 977350433 /nfs/dbraw/zinc/35/04/33/977350433.db2.gz FQTPOSDLELXZNW-UDNWOFFPSA-N 1 2 219.275 1.734 20 0 BDADLO CC1CC(C[N@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC001335890503 977350435 /nfs/dbraw/zinc/35/04/35/977350435.db2.gz FQTPOSDLELXZNW-UDNWOFFPSA-N 1 2 219.275 1.734 20 0 BDADLO O[C@H]1C[N@H+](Cc2ncccc2Cl)CC[C@H]1F ZINC001231958260 977809602 /nfs/dbraw/zinc/80/96/02/977809602.db2.gz RIVHKVGETGWBJR-KOLCDFICSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@H]1F ZINC001231958260 977809611 /nfs/dbraw/zinc/80/96/11/977809611.db2.gz RIVHKVGETGWBJR-KOLCDFICSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)s1 ZINC001232242575 977967813 /nfs/dbraw/zinc/96/78/13/977967813.db2.gz MTXMJXNBIOSWAN-LDYMZIIASA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)s1 ZINC001232242575 977967823 /nfs/dbraw/zinc/96/78/23/977967823.db2.gz MTXMJXNBIOSWAN-LDYMZIIASA-N 1 2 241.360 1.439 20 0 BDADLO C[N@H+](CCF)Cc1cc(Cl)ncc1O ZINC001233041470 978420468 /nfs/dbraw/zinc/42/04/68/978420468.db2.gz XKVJGFMLNLLHRB-UHFFFAOYSA-N 1 2 218.659 1.842 20 0 BDADLO C[N@@H+](CCF)Cc1cc(Cl)ncc1O ZINC001233041470 978420476 /nfs/dbraw/zinc/42/04/76/978420476.db2.gz XKVJGFMLNLLHRB-UHFFFAOYSA-N 1 2 218.659 1.842 20 0 BDADLO Cc1cc(F)cc(NCC2([S@@](C)=O)CC2)[nH+]1 ZINC001337867358 978539931 /nfs/dbraw/zinc/53/99/31/978539931.db2.gz KXJSGNZXPKIPOZ-MRXNPFEDSA-N 1 2 242.319 1.852 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001233318137 978551851 /nfs/dbraw/zinc/55/18/51/978551851.db2.gz RDXPLWLNTSRDRX-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001233318137 978551861 /nfs/dbraw/zinc/55/18/61/978551861.db2.gz RDXPLWLNTSRDRX-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO C[N@H+](Cc1c[nH]c(Br)c1)C1COC1 ZINC001233436954 978603611 /nfs/dbraw/zinc/60/36/11/978603611.db2.gz GMUXQQMWVPWKEG-UHFFFAOYSA-N 1 2 245.120 1.608 20 0 BDADLO C[N@@H+](Cc1c[nH]c(Br)c1)C1COC1 ZINC001233436954 978603614 /nfs/dbraw/zinc/60/36/14/978603614.db2.gz GMUXQQMWVPWKEG-UHFFFAOYSA-N 1 2 245.120 1.608 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1c[nH]c(Br)c1 ZINC001233434375 978603751 /nfs/dbraw/zinc/60/37/51/978603751.db2.gz MEROEOOAPDSMAT-UHFFFAOYSA-N 1 2 245.120 1.798 20 0 BDADLO CC(=O)C[N@H+](C)Cc1c[nH]c(Br)c1 ZINC001233434375 978603754 /nfs/dbraw/zinc/60/37/54/978603754.db2.gz MEROEOOAPDSMAT-UHFFFAOYSA-N 1 2 245.120 1.798 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncc(Cl)n2)CCCO1 ZINC001233447082 978605059 /nfs/dbraw/zinc/60/50/59/978605059.db2.gz SQNFKKNCTDQIPF-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncc(Cl)n2)CCCO1 ZINC001233447082 978605065 /nfs/dbraw/zinc/60/50/65/978605065.db2.gz SQNFKKNCTDQIPF-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)sc1C ZINC001233685786 978675493 /nfs/dbraw/zinc/67/54/93/978675493.db2.gz SHVHORYSEPQOQK-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)sc1C ZINC001233685786 978675497 /nfs/dbraw/zinc/67/54/97/978675497.db2.gz SHVHORYSEPQOQK-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO CC[C@H](F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001338813740 978738456 /nfs/dbraw/zinc/73/84/56/978738456.db2.gz BKIJLXLDVJRXII-JTQLQIEISA-N 1 2 214.284 1.041 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1ncc(Cl)cn1 ZINC001235425915 979042021 /nfs/dbraw/zinc/04/20/21/979042021.db2.gz YWSHDUYZJSECTI-UHFFFAOYSA-N 1 2 243.694 1.125 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1ncc(Cl)cn1 ZINC001235425915 979042023 /nfs/dbraw/zinc/04/20/23/979042023.db2.gz YWSHDUYZJSECTI-UHFFFAOYSA-N 1 2 243.694 1.125 20 0 BDADLO CCCn1c[nH+]cc1CN1CC[C@@H](F)C1 ZINC001181840522 979331330 /nfs/dbraw/zinc/33/13/30/979331330.db2.gz APHUMDAIHNRLOT-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO OCCCN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237045353 979807490 /nfs/dbraw/zinc/80/74/90/979807490.db2.gz ZIMHAWIUNCMXMW-NSHDSACASA-N 1 2 248.317 1.174 20 0 BDADLO FC1CN(C2C[NH+](CC3OC=CC3=S)C2)C1 ZINC001237178844 979830432 /nfs/dbraw/zinc/83/04/32/979830432.db2.gz APRUWUACXPTPBC-UHFFFAOYSA-N 1 2 242.319 1.406 20 0 BDADLO CCCCC1(NC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001342913296 979935945 /nfs/dbraw/zinc/93/59/45/979935945.db2.gz AORKEXZDCLHCLS-MRVPVSSYSA-N 1 2 234.290 1.808 20 0 BDADLO O=C1[C@@H]([N@@H+]2CCC[C@@H](F)C2)CCN1C1CC1 ZINC001345109541 980552379 /nfs/dbraw/zinc/55/23/79/980552379.db2.gz UDZMNQUVZFGRMZ-KOLCDFICSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@@H]([N@H+]2CCC[C@@H](F)C2)CCN1C1CC1 ZINC001345109541 980552384 /nfs/dbraw/zinc/55/23/84/980552384.db2.gz UDZMNQUVZFGRMZ-KOLCDFICSA-N 1 2 226.295 1.184 20 0 BDADLO COCC1(c2nnc(C[NH+](C)C)o2)CCC1 ZINC001345571266 980636106 /nfs/dbraw/zinc/63/61/06/980636106.db2.gz UZVNSGZSPZXLFI-UHFFFAOYSA-N 1 2 225.292 1.199 20 0 BDADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cnon1 ZINC001193703422 981426471 /nfs/dbraw/zinc/42/64/71/981426471.db2.gz GSUKLAQDRMCUMN-SECBINFHSA-N 1 2 239.300 1.263 20 0 BDADLO CCCCCOC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001193775395 981431120 /nfs/dbraw/zinc/43/11/20/981431120.db2.gz RBXBEVIZUMPCSD-NSHDSACASA-N 1 2 244.335 1.233 20 0 BDADLO CCCCCOC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001193775395 981431131 /nfs/dbraw/zinc/43/11/31/981431131.db2.gz RBXBEVIZUMPCSD-NSHDSACASA-N 1 2 244.335 1.233 20 0 BDADLO CCCCCOC(=O)NC1C[NH+](C)C1 ZINC001193777357 981433352 /nfs/dbraw/zinc/43/33/52/981433352.db2.gz JVVGLNSHCFWNDC-UHFFFAOYSA-N 1 2 200.282 1.217 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(Cl)[nH]1 ZINC001587694704 982087883 /nfs/dbraw/zinc/08/78/83/982087883.db2.gz YVRMYQJXCXYZKL-UHFFFAOYSA-N 1 2 238.678 1.332 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC001351094095 982202478 /nfs/dbraw/zinc/20/24/78/982202478.db2.gz AIJVLJHYGCNVLA-GMTAPVOTSA-N 1 2 219.288 1.313 20 0 BDADLO CCN(C(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001351069477 982194360 /nfs/dbraw/zinc/19/43/60/982194360.db2.gz UQASSUKIUDRSEN-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C=CCC1 ZINC001352433936 982524542 /nfs/dbraw/zinc/52/45/42/982524542.db2.gz SNACANWCVTVMBS-SNVBAGLBSA-N 1 2 219.288 1.188 20 0 BDADLO CC[C@@H](C)CNC(=S)NCCn1cc[nH+]c1 ZINC001200235214 982721368 /nfs/dbraw/zinc/72/13/68/982721368.db2.gz RBJTXQSKYDXCKT-SNVBAGLBSA-N 1 2 240.376 1.393 20 0 BDADLO CC[C@@H](C)NC(=S)Nc1cc[nH+]cc1C ZINC001200464730 983021679 /nfs/dbraw/zinc/02/16/79/983021679.db2.gz JELJQTJCJQMMNN-SECBINFHSA-N 1 2 223.345 1.897 20 0 BDADLO CC1(C)CCN(c2cc(N)nc[nH+]2)CC1 ZINC000082426790 983068905 /nfs/dbraw/zinc/06/89/05/983068905.db2.gz NWUHFICPQKKEMA-UHFFFAOYSA-N 1 2 206.293 1.685 20 0 BDADLO Nc1cncc(Nc2ccc(N)[nH+]c2)c1 ZINC001201275664 983176041 /nfs/dbraw/zinc/17/60/41/983176041.db2.gz IAOWADOBKJIWFA-UHFFFAOYSA-N 1 2 201.233 1.385 20 0 BDADLO C[C@]1(CNC(=O)C[C@H]([NH3+])C(F)F)C[C@H]2C[C@H]2C1 ZINC001354424805 983304772 /nfs/dbraw/zinc/30/47/72/983304772.db2.gz ZRDAVNTWPTXVOS-KIKITERTSA-N 1 2 246.301 1.521 20 0 BDADLO CCCC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001252120381 983703521 /nfs/dbraw/zinc/70/35/21/983703521.db2.gz UYVMUJMEOMCVHB-NSHDSACASA-N 1 2 245.363 1.859 20 0 BDADLO COC[C@H](C)OC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000866503222 983857345 /nfs/dbraw/zinc/85/73/45/983857345.db2.gz OYVKBCQKHZYPGC-ZJUUUORDSA-N 1 2 241.291 1.033 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001172416362 974685876 /nfs/dbraw/zinc/68/58/76/974685876.db2.gz GZZZQKYENRSDNK-MNOVXSKESA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001172416362 974685878 /nfs/dbraw/zinc/68/58/78/974685878.db2.gz GZZZQKYENRSDNK-MNOVXSKESA-N 1 2 231.311 1.805 20 0 BDADLO COc1ccc(C[NH+]2CC(O)C2)cc1C ZINC000297294619 974731070 /nfs/dbraw/zinc/73/10/70/974731070.db2.gz AWHDPKFHOSFMBO-UHFFFAOYSA-N 1 2 207.273 1.180 20 0 BDADLO CC(=O)OC1C[NH+]([C@@H](C)CCOC(C)C)C1 ZINC001172448263 974809671 /nfs/dbraw/zinc/80/96/71/974809671.db2.gz AMUACLHUAVRRRB-JTQLQIEISA-N 1 2 229.320 1.437 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@]3(CCSC3)C2)[nH]1 ZINC001327534222 972618429 /nfs/dbraw/zinc/61/84/29/972618429.db2.gz CRWSKSFRQLKKBF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)C)C(C)(C)C ZINC001327863226 972764333 /nfs/dbraw/zinc/76/43/33/972764333.db2.gz GBCOQAPZLRXFLQ-GHMZBOCLSA-N 1 2 245.363 1.571 20 0 BDADLO CC[NH+]1CC(OCc2ccnc(SC)n2)C1 ZINC001224107189 973450850 /nfs/dbraw/zinc/45/08/50/973450850.db2.gz GLGZBQSUETZMQL-UHFFFAOYSA-N 1 2 239.344 1.419 20 0 BDADLO COC(C)(CNc1cc[nH+]cc1F)OC ZINC001170438086 970822557 /nfs/dbraw/zinc/82/25/57/970822557.db2.gz VSAHWKHEKUNOGF-UHFFFAOYSA-N 1 2 214.240 1.064 20 0 BDADLO C[C@@H](Cc1ccccn1)[NH+]1CCN(C#N)CC1 ZINC001256423052 970828587 /nfs/dbraw/zinc/82/85/87/970828587.db2.gz BZUZJXXZMJKHPD-LBPRGKRZSA-N 1 2 230.315 1.111 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@H](C)Cc1ccccn1 ZINC001256423538 970831134 /nfs/dbraw/zinc/83/11/34/970831134.db2.gz CVWNMCFVLGGXLL-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@H](C)Cc1ccccn1 ZINC001256423538 970831141 /nfs/dbraw/zinc/83/11/41/970831141.db2.gz CVWNMCFVLGGXLL-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(CC[NH+]2CCOCC2)o1 ZINC001256610365 970875592 /nfs/dbraw/zinc/87/55/92/970875592.db2.gz POHWVWGQLUXBFK-NXEZZACHSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001256657798 970907212 /nfs/dbraw/zinc/90/72/12/970907212.db2.gz MVIMXBHTWFUSAV-APPZFPTMSA-N 1 2 218.260 1.517 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001256661177 970909527 /nfs/dbraw/zinc/90/95/27/970909527.db2.gz ZGVIHMVXJXKZLO-POYBYMJQSA-N 1 2 204.233 1.507 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)C(=O)OC ZINC001256718440 970937539 /nfs/dbraw/zinc/93/75/39/970937539.db2.gz IUUWLKUAHSTWGI-JQWIXIFHSA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccncc1)C1CC1 ZINC001256720901 970939817 /nfs/dbraw/zinc/93/98/17/970939817.db2.gz GROSENLCBOIGHI-GWCFXTLKSA-N 1 2 248.326 1.554 20 0 BDADLO C[C@@H](Cc1ccncc1)[N@@H+]1Cc2cncnc2C1 ZINC001256736550 970962571 /nfs/dbraw/zinc/96/25/71/970962571.db2.gz QGDZZDITVWZTHT-NSHDSACASA-N 1 2 240.310 1.818 20 0 BDADLO C[C@@H](Cc1ccncc1)[N@H+]1Cc2cncnc2C1 ZINC001256736550 970962584 /nfs/dbraw/zinc/96/25/84/970962584.db2.gz QGDZZDITVWZTHT-NSHDSACASA-N 1 2 240.310 1.818 20 0 BDADLO FC(F)Oc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243950259 971040343 /nfs/dbraw/zinc/04/03/43/971040343.db2.gz VCFSFIAIGFRJTF-UHFFFAOYSA-N 1 2 227.214 1.802 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC3(CCO3)C2)C1 ZINC001257061810 971078772 /nfs/dbraw/zinc/07/87/72/971078772.db2.gz WSFRSZGXYOVQDH-GHMZBOCLSA-N 1 2 239.315 1.193 20 0 BDADLO Cc1nc(NCC2OCCO2)c2c([nH+]1)CCC2 ZINC001158200419 971099268 /nfs/dbraw/zinc/09/92/68/971099268.db2.gz ANWIADOTFOMIOP-UHFFFAOYSA-N 1 2 235.287 1.059 20 0 BDADLO COC/C(C)=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131309069 971157703 /nfs/dbraw/zinc/15/77/03/971157703.db2.gz FXAUKTSRODNBQF-YFHOEESVSA-N 1 2 245.282 1.866 20 0 BDADLO CCn1cc(C[NH2+]Cc2cnc(C)s2)nn1 ZINC000404427559 971162014 /nfs/dbraw/zinc/16/20/14/971162014.db2.gz JCZRNYNNLHHQCB-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccoc2)nn1 ZINC000404489700 971170573 /nfs/dbraw/zinc/17/05/73/971170573.db2.gz GTBXKVYILISRCZ-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CCC(CC)[N@@H+]1CCOC[C@]1(C)C(=O)OC ZINC001257301397 971187518 /nfs/dbraw/zinc/18/75/18/971187518.db2.gz FCOYLETXWXUUIS-GFCCVEGCSA-N 1 2 229.320 1.439 20 0 BDADLO CCC(CC)[N@H+]1CCOC[C@]1(C)C(=O)OC ZINC001257301397 971187524 /nfs/dbraw/zinc/18/75/24/971187524.db2.gz FCOYLETXWXUUIS-GFCCVEGCSA-N 1 2 229.320 1.439 20 0 BDADLO CCSC[C@@H](C)[N@H+](C)CC(=O)OC ZINC000308380324 971221424 /nfs/dbraw/zinc/22/14/24/971221424.db2.gz UNGYABDGUJCNRZ-MRVPVSSYSA-N 1 2 205.323 1.233 20 0 BDADLO CCSC[C@@H](C)[N@@H+](C)CC(=O)OC ZINC000308380324 971221435 /nfs/dbraw/zinc/22/14/35/971221435.db2.gz UNGYABDGUJCNRZ-MRVPVSSYSA-N 1 2 205.323 1.233 20 0 BDADLO CCCCCC[C@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001170580672 971252721 /nfs/dbraw/zinc/25/27/21/971252721.db2.gz FCLTYACMTVRQBY-NWDGAFQWSA-N 1 2 245.363 1.859 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2ccncc2)n1 ZINC000352875003 971266410 /nfs/dbraw/zinc/26/64/10/971266410.db2.gz JMKKYIRUWKDIIH-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2ccncc2)n1 ZINC000352875003 971266417 /nfs/dbraw/zinc/26/64/17/971266417.db2.gz JMKKYIRUWKDIIH-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC(=O)N[C@H]1C[C@H](Nc2c[nH+]cc(C)c2C)C1 ZINC001170584104 971275024 /nfs/dbraw/zinc/27/50/24/971275024.db2.gz RWRJLIWTFVUXKD-HAQNSBGRSA-N 1 2 233.315 1.777 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405662553 971289939 /nfs/dbraw/zinc/28/99/39/971289939.db2.gz OHPNUBIWUQPLDR-OVYXKVPISA-N 1 2 209.293 1.231 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000308766764 971295094 /nfs/dbraw/zinc/29/50/94/971295094.db2.gz SEJWJUBNWPJROH-JLLWLGSASA-N 1 2 241.331 1.341 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]CC(=O)OC(C)C)CCO1 ZINC000308764294 971298324 /nfs/dbraw/zinc/29/83/24/971298324.db2.gz QRUVVWAOOZGVFU-GHMZBOCLSA-N 1 2 229.320 1.485 20 0 BDADLO CCCCCc1nnc([C@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217695252 971328618 /nfs/dbraw/zinc/32/86/18/971328618.db2.gz HVLYMIILWKRYFT-VHSXEESVSA-N 1 2 239.319 1.588 20 0 BDADLO CC(C)(C)Cc1nnc([C@@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217694902 971330490 /nfs/dbraw/zinc/33/04/90/971330490.db2.gz FYTHGFVBBJBXHY-BDAKNGLRSA-N 1 2 239.319 1.444 20 0 BDADLO O[C@H]1CC[NH2+][C@@H](c2nnc(C3CCC3)o2)C1 ZINC001217696319 971336297 /nfs/dbraw/zinc/33/62/97/971336297.db2.gz NRAJDQWOEMNWLZ-DTWKUNHWSA-N 1 2 223.276 1.123 20 0 BDADLO [NH3+][C@@H](CO)c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001217699621 971338375 /nfs/dbraw/zinc/33/83/75/971338375.db2.gz UQVWRGWQVYMZKY-DCAQKATOSA-N 1 2 245.282 1.333 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C1CCCCC1)[C@@H](C)O ZINC001257449481 971367694 /nfs/dbraw/zinc/36/76/94/971367694.db2.gz CXRXOPTXQPZFCP-KOLCDFICSA-N 1 2 229.320 1.221 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1[C@H]1CCCSC1 ZINC001257667471 971466788 /nfs/dbraw/zinc/46/67/88/971466788.db2.gz DGCFGJSCJMFUJW-IUCAKERBSA-N 1 2 237.315 1.584 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1[C@H]1CCCSC1 ZINC001257667471 971466791 /nfs/dbraw/zinc/46/67/91/971466791.db2.gz DGCFGJSCJMFUJW-IUCAKERBSA-N 1 2 237.315 1.584 20 0 BDADLO F[C@@H]1C[N@H+]([C@@H]2CCCSC2)C[C@@H]1F ZINC001257671022 971474456 /nfs/dbraw/zinc/47/44/56/971474456.db2.gz KTDXUEQMOUBJLV-HLTSFMKQSA-N 1 2 207.289 1.874 20 0 BDADLO F[C@@H]1C[N@@H+]([C@@H]2CCCSC2)C[C@@H]1F ZINC001257671022 971474458 /nfs/dbraw/zinc/47/44/58/971474458.db2.gz KTDXUEQMOUBJLV-HLTSFMKQSA-N 1 2 207.289 1.874 20 0 BDADLO C/C=C/C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000105731151 971488759 /nfs/dbraw/zinc/48/87/59/971488759.db2.gz ILHMBAHULPRVIZ-NSCUHMNNSA-N 1 2 245.326 1.302 20 0 BDADLO C[C@H]1C[C@@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001257937320 971546442 /nfs/dbraw/zinc/54/64/42/971546442.db2.gz JNXWOUZHCXNDOI-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO Nc1cccnc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218009062 971568774 /nfs/dbraw/zinc/56/87/74/971568774.db2.gz FBYOTCDAGSNGBB-QMMMGPOBSA-N 1 2 229.230 1.040 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC001258053885 971578583 /nfs/dbraw/zinc/57/85/83/971578583.db2.gz XIYDANMMNKZYOU-SDDRHHMPSA-N 1 2 245.363 1.571 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170711997 971615877 /nfs/dbraw/zinc/61/58/77/971615877.db2.gz JHQBJCAAPHQILR-JGPRNRPPSA-N 1 2 225.332 1.962 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001172346911 974614386 /nfs/dbraw/zinc/61/43/86/974614386.db2.gz KOPFPJPGGDNJIK-CRWXNKLISA-N 1 2 240.391 1.968 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001172346911 974614390 /nfs/dbraw/zinc/61/43/90/974614390.db2.gz KOPFPJPGGDNJIK-CRWXNKLISA-N 1 2 240.391 1.968 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820506154 972137165 /nfs/dbraw/zinc/13/71/65/972137165.db2.gz DWLVLTAYGZWBTR-QMMMGPOBSA-N 1 2 207.277 1.209 20 0 BDADLO Cc1nc2c(s1)C[N@H+](Cc1ccnnc1)CC2 ZINC001139982853 957271777 /nfs/dbraw/zinc/27/17/77/957271777.db2.gz DPEJSOOHBRCJRZ-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1nc2c(s1)C[N@@H+](Cc1ccnnc1)CC2 ZINC001139982853 957271787 /nfs/dbraw/zinc/27/17/87/957271787.db2.gz DPEJSOOHBRCJRZ-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO CCOC(=O)CC[NH+]1CC(Oc2ccccc2)C1 ZINC001209035546 957295139 /nfs/dbraw/zinc/29/51/39/957295139.db2.gz VYLXONICWJMGDT-UHFFFAOYSA-N 1 2 249.310 1.703 20 0 BDADLO COCCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209214862 957362155 /nfs/dbraw/zinc/36/21/55/957362155.db2.gz VTUSTRGMNBOOAQ-JTQLQIEISA-N 1 2 217.284 1.416 20 0 BDADLO COCCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209214862 957362158 /nfs/dbraw/zinc/36/21/58/957362158.db2.gz VTUSTRGMNBOOAQ-JTQLQIEISA-N 1 2 217.284 1.416 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001209554335 957498951 /nfs/dbraw/zinc/49/89/51/957498951.db2.gz GYVSXCLYYFLDSS-QWRGUYRKSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001209554335 957498957 /nfs/dbraw/zinc/49/89/57/957498957.db2.gz GYVSXCLYYFLDSS-QWRGUYRKSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)[nH]1 ZINC001209578633 957513420 /nfs/dbraw/zinc/51/34/20/957513420.db2.gz KWNMMCLMFMHGOR-UHFFFAOYSA-N 1 2 243.301 1.706 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000706318534 957760693 /nfs/dbraw/zinc/76/06/93/957760693.db2.gz PKQJRHMXKHPTSO-MRVPVSSYSA-N 1 2 221.247 1.525 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706318534 957760697 /nfs/dbraw/zinc/76/06/97/957760697.db2.gz PKQJRHMXKHPTSO-MRVPVSSYSA-N 1 2 221.247 1.525 20 0 BDADLO CC(C)(CNC(=O)C1(F)C[NH2+]C1)CC1CC1 ZINC001221166881 972296540 /nfs/dbraw/zinc/29/65/40/972296540.db2.gz QWPYDNAQLRTZAV-UHFFFAOYSA-N 1 2 228.311 1.240 20 0 BDADLO CCc1nccc(C[N@H+](C)CC(OC)OC)n1 ZINC001207088420 957967031 /nfs/dbraw/zinc/96/70/31/957967031.db2.gz NQNNUIICAXMRRY-UHFFFAOYSA-N 1 2 239.319 1.090 20 0 BDADLO CCc1nccc(C[N@@H+](C)CC(OC)OC)n1 ZINC001207088420 957967033 /nfs/dbraw/zinc/96/70/33/957967033.db2.gz NQNNUIICAXMRRY-UHFFFAOYSA-N 1 2 239.319 1.090 20 0 BDADLO Cc1cccn2c(CN3CCOC(=O)C3)c[nH+]c12 ZINC001136966181 972307056 /nfs/dbraw/zinc/30/70/56/972307056.db2.gz RVJMHNIHPQASHO-UHFFFAOYSA-N 1 2 245.282 1.002 20 0 BDADLO Oc1cnccc1C[N@@H+]1CCc2ncsc2C1 ZINC001140277009 958055768 /nfs/dbraw/zinc/05/57/68/958055768.db2.gz PCNFHKNFTUBDEZ-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO Oc1cnccc1C[N@H+]1CCc2ncsc2C1 ZINC001140277009 958055789 /nfs/dbraw/zinc/05/57/89/958055789.db2.gz PCNFHKNFTUBDEZ-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO CC(=O)N1CC(Nc2c[nH+]cc(C)c2C)C1 ZINC001171076737 972320507 /nfs/dbraw/zinc/32/05/07/972320507.db2.gz CPDMSRYIZMBIAI-UHFFFAOYSA-N 1 2 219.288 1.341 20 0 BDADLO [NH3+]CCCCNC(=O)c1ccc(F)c(F)c1O ZINC001221346671 972324929 /nfs/dbraw/zinc/32/49/29/972324929.db2.gz RTFZHJJCHDIOSD-UHFFFAOYSA-N 1 2 244.241 1.139 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001207147735 958216129 /nfs/dbraw/zinc/21/61/29/958216129.db2.gz IZOFGFREIZBCPD-GFCCVEGCSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001207147735 958216147 /nfs/dbraw/zinc/21/61/47/958216147.db2.gz IZOFGFREIZBCPD-GFCCVEGCSA-N 1 2 236.290 1.893 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccncn2)CCO1 ZINC001140349483 958275145 /nfs/dbraw/zinc/27/51/45/958275145.db2.gz JJXGUIMJCFHBQF-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccncn2)CCO1 ZINC001140349483 958275154 /nfs/dbraw/zinc/27/51/54/958275154.db2.gz JJXGUIMJCFHBQF-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO COc1ccc(C[N@H+](C)C2(C)COC2)cn1 ZINC001137037758 972335835 /nfs/dbraw/zinc/33/58/35/972335835.db2.gz WWXGQTSOMIFNAU-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@@H+](C)C2(C)COC2)cn1 ZINC001137037758 972335839 /nfs/dbraw/zinc/33/58/39/972335839.db2.gz WWXGQTSOMIFNAU-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO C[N@H+](Cc1ccc2nc[nH]c2c1)C1COC1 ZINC001137046477 972340709 /nfs/dbraw/zinc/34/07/09/972340709.db2.gz DKRGDWMEWOHJBJ-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1ccc2nc[nH]c2c1)C1COC1 ZINC001137046477 972340711 /nfs/dbraw/zinc/34/07/11/972340711.db2.gz DKRGDWMEWOHJBJ-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO Cc1ccc(C[NH+]2CC(C(F)F)C2)c(N)n1 ZINC000707085729 958373502 /nfs/dbraw/zinc/37/35/02/958373502.db2.gz JZNDDCBHVARLIF-UHFFFAOYSA-N 1 2 227.258 1.669 20 0 BDADLO CC1=C[C@@H](OCCn2cc[nH+]c2)CC(=O)O1 ZINC001222135122 972370743 /nfs/dbraw/zinc/37/07/43/972370743.db2.gz WCYJSCWLMANNSL-SNVBAGLBSA-N 1 2 222.244 1.119 20 0 BDADLO c1cn(CCOC[C@@H]2Cc3ccccc3O2)c[nH+]1 ZINC001222134654 972380377 /nfs/dbraw/zinc/38/03/77/972380377.db2.gz JEKFXIDGHRYYBY-ZDUSSCGKSA-N 1 2 244.294 1.903 20 0 BDADLO Cc1cc(NCC2(O)CCOCC2)c[nH+]c1C ZINC001167548475 958856526 /nfs/dbraw/zinc/85/65/26/958856526.db2.gz YAXXQKYMAMGHJU-UHFFFAOYSA-N 1 2 236.315 1.652 20 0 BDADLO CC[C@H]1OC(=O)C(OCCn2cc[nH+]c2)=C1C ZINC001222134884 972382188 /nfs/dbraw/zinc/38/21/88/972382188.db2.gz RDZNLBBIKQAQQU-SNVBAGLBSA-N 1 2 236.271 1.509 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001204587346 958876899 /nfs/dbraw/zinc/87/68/99/958876899.db2.gz BGVCTURICMQAAU-PSASIEDQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001204587346 958876907 /nfs/dbraw/zinc/87/69/07/958876907.db2.gz BGVCTURICMQAAU-PSASIEDQSA-N 1 2 211.284 1.898 20 0 BDADLO c1cn(CCOC[C@@H]2CCCCO2)c[nH+]1 ZINC001222134794 972385055 /nfs/dbraw/zinc/38/50/55/972385055.db2.gz OJNGHEKRHQCRJD-NSHDSACASA-N 1 2 210.277 1.469 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(N)cn2)[C@H](C)CO1 ZINC000403916699 958929983 /nfs/dbraw/zinc/92/99/83/958929983.db2.gz HBXOGQXOMLMWEM-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(N)cn2)[C@H](C)CO1 ZINC000403916699 958929989 /nfs/dbraw/zinc/92/99/89/958929989.db2.gz HBXOGQXOMLMWEM-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO Cc1nc(NC[C@@]23C[C@@H]2CCCC3)nc(N)[nH+]1 ZINC000693609411 958981679 /nfs/dbraw/zinc/98/16/79/958981679.db2.gz BJSJYDLGCDEXIC-JOYOIKCWSA-N 1 2 233.319 1.754 20 0 BDADLO Cc1nc(N)nc(NC[C@@]23C[C@@H]2CCCC3)[nH+]1 ZINC000693609411 958981690 /nfs/dbraw/zinc/98/16/90/958981690.db2.gz BJSJYDLGCDEXIC-JOYOIKCWSA-N 1 2 233.319 1.754 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001204593391 959015361 /nfs/dbraw/zinc/01/53/61/959015361.db2.gz HCYANBFNKLYJQA-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001204593391 959015380 /nfs/dbraw/zinc/01/53/80/959015380.db2.gz HCYANBFNKLYJQA-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1nc(C)c(F)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167617038 959081226 /nfs/dbraw/zinc/08/12/26/959081226.db2.gz KCPVVQZWGDYXLC-UHFFFAOYSA-N 1 2 247.277 1.822 20 0 BDADLO Nc1cc(CNc2ccccn2)cc[nH+]1 ZINC001167615626 959084060 /nfs/dbraw/zinc/08/40/60/959084060.db2.gz VECHUEWBQMKPNG-UHFFFAOYSA-N 1 2 200.245 1.671 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001331279732 974669473 /nfs/dbraw/zinc/66/94/73/974669473.db2.gz IEFHHEYZFFCBNN-GXSJLCMTSA-N 1 2 221.304 1.749 20 0 BDADLO CC(=O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001167628645 959128677 /nfs/dbraw/zinc/12/86/77/959128677.db2.gz BTBSFADYJFRWJZ-UHFFFAOYSA-N 1 2 203.245 1.574 20 0 BDADLO Cc1c[nH+]c(C)c(NCc2cnn(C)n2)c1 ZINC000404579071 959311922 /nfs/dbraw/zinc/31/19/22/959311922.db2.gz OOQUPVMGQFMQPA-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC(C)=CC(=O)NCCOc1cc[nH+]cc1 ZINC001143932063 972425543 /nfs/dbraw/zinc/42/55/43/972425543.db2.gz AAZGXCZMFCXGQF-UHFFFAOYSA-N 1 2 220.272 1.543 20 0 BDADLO CN(Cc1cccnc1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724765512 959422034 /nfs/dbraw/zinc/42/20/34/959422034.db2.gz DTTKCCRBNIPMEJ-VIFPVBQESA-N 1 2 243.257 1.023 20 0 BDADLO CC[N@H+](CCNc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000218120217 959781793 /nfs/dbraw/zinc/78/17/93/959781793.db2.gz PAAMFGWFUFVXBA-UHFFFAOYSA-N 1 2 249.314 1.676 20 0 BDADLO CC[N@@H+](CCNc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000218120217 959781797 /nfs/dbraw/zinc/78/17/97/959781797.db2.gz PAAMFGWFUFVXBA-UHFFFAOYSA-N 1 2 249.314 1.676 20 0 BDADLO COc1cccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001207433452 960043760 /nfs/dbraw/zinc/04/37/60/960043760.db2.gz SSTWFNFAYNWVPK-UONOGXRCSA-N 1 2 233.311 1.711 20 0 BDADLO COc1cccc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001207433452 960043780 /nfs/dbraw/zinc/04/37/80/960043780.db2.gz SSTWFNFAYNWVPK-UONOGXRCSA-N 1 2 233.311 1.711 20 0 BDADLO CC(C)[C@@H](F)C(=O)NC1C[NH+](CCCF)C1 ZINC001267656829 960180284 /nfs/dbraw/zinc/18/02/84/960180284.db2.gz XZSAWXWDUMKKCQ-SNVBAGLBSA-N 1 2 234.290 1.141 20 0 BDADLO CN(C)c1ccc(NC=CC(C)(C)O)c[nH+]1 ZINC001203209137 960290315 /nfs/dbraw/zinc/29/03/15/960290315.db2.gz DWNVLENATZYHSM-BQYQJAHWSA-N 1 2 221.304 1.844 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2c(C)nn(C)c2C)C[C@@H]1F ZINC001203051649 960462224 /nfs/dbraw/zinc/46/22/24/960462224.db2.gz FJFCLWVAFNRYBB-RYUDHWBXSA-N 1 2 241.310 1.206 20 0 BDADLO CO[C@H]1C[N@H+](Cc2c(C)nn(C)c2C)C[C@@H]1F ZINC001203051649 960462218 /nfs/dbraw/zinc/46/22/18/960462218.db2.gz FJFCLWVAFNRYBB-RYUDHWBXSA-N 1 2 241.310 1.206 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCOC[C@H]1C ZINC001203052793 960466116 /nfs/dbraw/zinc/46/61/16/960466116.db2.gz MJEGUXPIKMPAGK-SECBINFHSA-N 1 2 223.320 1.258 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCOC[C@H]1C ZINC001203052793 960466122 /nfs/dbraw/zinc/46/61/22/960466122.db2.gz MJEGUXPIKMPAGK-SECBINFHSA-N 1 2 223.320 1.258 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2ccncc21 ZINC001140644299 960476268 /nfs/dbraw/zinc/47/62/68/960476268.db2.gz HWGRNUHQTBGDAP-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2ccncc21 ZINC001140644299 960476287 /nfs/dbraw/zinc/47/62/87/960476287.db2.gz HWGRNUHQTBGDAP-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC001140682683 960490549 /nfs/dbraw/zinc/49/05/49/960490549.db2.gz GHYHUFHDRVOAQB-CYBMUJFWSA-N 1 2 237.299 1.715 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC001140682683 960490558 /nfs/dbraw/zinc/49/05/58/960490558.db2.gz GHYHUFHDRVOAQB-CYBMUJFWSA-N 1 2 237.299 1.715 20 0 BDADLO COc1nccc(C[NH+]2CC3(CCC3)C2)n1 ZINC001140690994 960497372 /nfs/dbraw/zinc/49/73/72/960497372.db2.gz SJGRPEICUHXSGU-UHFFFAOYSA-N 1 2 219.288 1.471 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1N ZINC001140716191 960526373 /nfs/dbraw/zinc/52/63/73/960526373.db2.gz HTAKVWVGUAYXKX-UHFFFAOYSA-N 1 2 226.707 1.943 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(Cl)ccc1N ZINC001140716191 960526383 /nfs/dbraw/zinc/52/63/83/960526383.db2.gz HTAKVWVGUAYXKX-UHFFFAOYSA-N 1 2 226.707 1.943 20 0 BDADLO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c[nH]nn1 ZINC000398327152 960639817 /nfs/dbraw/zinc/63/98/17/960639817.db2.gz OQDOBCVRZGETRF-IUCAKERBSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cn[nH]n1 ZINC000398327152 960639819 /nfs/dbraw/zinc/63/98/19/960639819.db2.gz OQDOBCVRZGETRF-IUCAKERBSA-N 1 2 208.309 1.719 20 0 BDADLO Cc1cc(CN2CCn3c(c[nH+]c3C)C2)[nH]n1 ZINC001203073425 960660934 /nfs/dbraw/zinc/66/09/34/960660934.db2.gz ZSKWMQFZIGZLHP-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO Cc1nn(C)cc1C[NH+]1CC(C(F)F)C1 ZINC000585383100 960667218 /nfs/dbraw/zinc/66/72/18/960667218.db2.gz SVDSDWYSGPXLRO-UHFFFAOYSA-N 1 2 215.247 1.425 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890293 960670595 /nfs/dbraw/zinc/67/05/95/960670595.db2.gz BINFTQWULHYSSH-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890293 960670602 /nfs/dbraw/zinc/67/06/02/960670602.db2.gz BINFTQWULHYSSH-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO CCCC(=O)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001144045568 972524221 /nfs/dbraw/zinc/52/42/21/972524221.db2.gz QNEVPCLEOLKJCH-UHFFFAOYSA-N 1 2 249.314 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@H]2C)n[nH]1 ZINC001203076623 960685875 /nfs/dbraw/zinc/68/58/75/960685875.db2.gz HDTACVMZSRUCIA-MWLCHTKSSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)n[nH]1 ZINC001203076623 960685881 /nfs/dbraw/zinc/68/58/81/960685881.db2.gz HDTACVMZSRUCIA-MWLCHTKSSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)[nH]n1 ZINC001203077477 960689508 /nfs/dbraw/zinc/68/95/08/960689508.db2.gz ZQASMYYUUWVEOP-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)[nH]n1 ZINC001203077477 960689539 /nfs/dbraw/zinc/68/95/39/960689539.db2.gz ZQASMYYUUWVEOP-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2cccnc2C1 ZINC001140938260 960727009 /nfs/dbraw/zinc/72/70/09/960727009.db2.gz GTRMLCRZXQXTIN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2cccnc2C1 ZINC001140938260 960727012 /nfs/dbraw/zinc/72/70/12/960727012.db2.gz GTRMLCRZXQXTIN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)n[nH]1 ZINC001203081137 960734305 /nfs/dbraw/zinc/73/43/05/960734305.db2.gz LVUPJQIUMCEEQZ-CYBMUJFWSA-N 1 2 249.314 1.390 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)n[nH]1 ZINC001203081137 960734321 /nfs/dbraw/zinc/73/43/21/960734321.db2.gz LVUPJQIUMCEEQZ-CYBMUJFWSA-N 1 2 249.314 1.390 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)n[nH]1 ZINC001203081632 960760780 /nfs/dbraw/zinc/76/07/80/960760780.db2.gz DHTJYGZNUWELEW-GGZOMVNGSA-N 1 2 221.304 1.185 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)n[nH]1 ZINC001203081632 960760794 /nfs/dbraw/zinc/76/07/94/960760794.db2.gz DHTJYGZNUWELEW-GGZOMVNGSA-N 1 2 221.304 1.185 20 0 BDADLO C[C@H]1C[N@H+](Cc2csnn2)CCC[C@@]1(C)O ZINC001140992811 960787877 /nfs/dbraw/zinc/78/78/77/960787877.db2.gz YWEBMTMHLACBQD-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1C[N@@H+](Cc2csnn2)CCC[C@@]1(C)O ZINC001140992811 960787889 /nfs/dbraw/zinc/78/78/89/960787889.db2.gz YWEBMTMHLACBQD-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO c1coc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001141004598 960801501 /nfs/dbraw/zinc/80/15/01/960801501.db2.gz HWSMIRWLQAAWIL-MNOVXSKESA-N 1 2 222.288 1.676 20 0 BDADLO c1coc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001141004598 960801504 /nfs/dbraw/zinc/80/15/04/960801504.db2.gz HWSMIRWLQAAWIL-MNOVXSKESA-N 1 2 222.288 1.676 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)CCCC1=O ZINC001203086244 960805879 /nfs/dbraw/zinc/80/58/79/960805879.db2.gz OXZVWSRGFFPRGP-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)CCCC1=O ZINC001203086244 960805881 /nfs/dbraw/zinc/80/58/81/960805881.db2.gz OXZVWSRGFFPRGP-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO O=C1CC[C@@]2(CCC[N@H+](Cc3ncco3)C2)O1 ZINC001141010039 960813837 /nfs/dbraw/zinc/81/38/37/960813837.db2.gz BCYSFZUCRRYRAO-GFCCVEGCSA-N 1 2 236.271 1.346 20 0 BDADLO O=C1CC[C@@]2(CCC[N@@H+](Cc3ncco3)C2)O1 ZINC001141010039 960813840 /nfs/dbraw/zinc/81/38/40/960813840.db2.gz BCYSFZUCRRYRAO-GFCCVEGCSA-N 1 2 236.271 1.346 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011738 960816158 /nfs/dbraw/zinc/81/61/58/960816158.db2.gz NQQBBAHSARLGTF-QMMMGPOBSA-N 1 2 249.236 1.649 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011738 960816164 /nfs/dbraw/zinc/81/61/64/960816164.db2.gz NQQBBAHSARLGTF-QMMMGPOBSA-N 1 2 249.236 1.649 20 0 BDADLO OC1CC[NH+](Cc2c[nH]nc2C(F)(F)F)CC1 ZINC001141012347 960816654 /nfs/dbraw/zinc/81/66/54/960816654.db2.gz ISGNVLXDJBCCAK-UHFFFAOYSA-N 1 2 249.236 1.385 20 0 BDADLO CO[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@@H]1F ZINC001141047365 960835940 /nfs/dbraw/zinc/83/59/40/960835940.db2.gz HHUDJYBHQCNUMD-NWDGAFQWSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccn3ccnc3c2)C[C@@H]1F ZINC001141047365 960835944 /nfs/dbraw/zinc/83/59/44/960835944.db2.gz HHUDJYBHQCNUMD-NWDGAFQWSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccn3ccnc3c2)C[C@@H]1F ZINC001141047365 960835951 /nfs/dbraw/zinc/83/59/51/960835951.db2.gz HHUDJYBHQCNUMD-NWDGAFQWSA-N 1 2 249.289 1.503 20 0 BDADLO c1cn2ccc(C[N@H+](C3CC3)C3COC3)cc2n1 ZINC001141046337 960836393 /nfs/dbraw/zinc/83/63/93/960836393.db2.gz VVAUQFYZNBWBLP-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2ccc(C[N@@H+](C3CC3)C3COC3)cc2n1 ZINC001141046337 960836396 /nfs/dbraw/zinc/83/63/96/960836396.db2.gz VVAUQFYZNBWBLP-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCCC12COC2 ZINC001141052991 960844725 /nfs/dbraw/zinc/84/47/25/960844725.db2.gz WLEFCJUZTHRPIN-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCc2ncccc2C1 ZINC001141052693 960845497 /nfs/dbraw/zinc/84/54/97/960845497.db2.gz DBTOSBHTXBXSOG-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncoc1C[N@H+]1CCc2ncccc2C1 ZINC001141052693 960845504 /nfs/dbraw/zinc/84/55/04/960845504.db2.gz DBTOSBHTXBXSOG-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CCCCc1[nH]c(CN2C[C@@H]3C[C@H]2C(=O)O3)c[nH+]1 ZINC001141074120 960860631 /nfs/dbraw/zinc/86/06/31/960860631.db2.gz XZABDCCIMLODAR-QWRGUYRKSA-N 1 2 249.314 1.252 20 0 BDADLO CCCCc1[nH]cc(CN2C[C@@H]3C[C@H]2C(=O)O3)[nH+]1 ZINC001141074120 960860633 /nfs/dbraw/zinc/86/06/33/960860633.db2.gz XZABDCCIMLODAR-QWRGUYRKSA-N 1 2 249.314 1.252 20 0 BDADLO Cc1nnc(C2CC[NH+](Cc3cocn3)CC2)o1 ZINC001141130661 960881573 /nfs/dbraw/zinc/88/15/73/960881573.db2.gz UUNWTWLBPAYMDC-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO OC1C[NH+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141577436 961116470 /nfs/dbraw/zinc/11/64/70/961116470.db2.gz FGBVKQDKZXWAOA-UHFFFAOYSA-N 1 2 236.702 1.998 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001481573410 961210239 /nfs/dbraw/zinc/21/02/39/961210239.db2.gz YMSVFNNAJTVYGS-SSDOTTSWSA-N 1 2 238.253 1.395 20 0 BDADLO CSc1ncc2ccc(NC=[NH2+])nc2n1 ZINC001167863960 961330171 /nfs/dbraw/zinc/33/01/71/961330171.db2.gz JDXGSDPUQGJMLH-UHFFFAOYSA-N 1 2 219.273 1.139 20 0 BDADLO CC(C)/C=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC001142662119 961566930 /nfs/dbraw/zinc/56/69/30/961566930.db2.gz WKVLBYZZUHFNFA-SNAWJCMRSA-N 1 2 221.304 1.291 20 0 BDADLO CC(C)/C=C/C(=O)NCCOc1cc[nH+]cc1 ZINC001142664954 961573049 /nfs/dbraw/zinc/57/30/49/961573049.db2.gz PIBZXRCDGUZHBS-ONEGZZNKSA-N 1 2 234.299 1.789 20 0 BDADLO Cc1nc(NC[C@@H]2CCC(=O)N2)cc(C(C)C)[nH+]1 ZINC000709800216 961583397 /nfs/dbraw/zinc/58/33/97/961583397.db2.gz QVNXZLMCQJVCTK-JTQLQIEISA-N 1 2 248.330 1.599 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccn1C1CC1 ZINC001344063177 961586056 /nfs/dbraw/zinc/58/60/56/961586056.db2.gz UZPSKIBNUWVYBU-ZDUSSCGKSA-N 1 2 247.342 1.533 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccn1C1CC1 ZINC001344063177 961586067 /nfs/dbraw/zinc/58/60/67/961586067.db2.gz UZPSKIBNUWVYBU-ZDUSSCGKSA-N 1 2 247.342 1.533 20 0 BDADLO CC/C=C(\C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001142673296 961586291 /nfs/dbraw/zinc/58/62/91/961586291.db2.gz LTXTVTSENVXYJX-WEVVVXLNSA-N 1 2 221.304 1.733 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc2[nH]cnc21 ZINC001142695809 961636857 /nfs/dbraw/zinc/63/68/57/961636857.db2.gz AXFPBEKTULOSNY-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc2[nH]cnc21 ZINC001142695809 961636874 /nfs/dbraw/zinc/63/68/74/961636874.db2.gz AXFPBEKTULOSNY-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCC(=O)NCCSCc1[nH]c[nH+]c1C ZINC001142719733 961687990 /nfs/dbraw/zinc/68/79/90/961687990.db2.gz KNMYYBSHYBCOER-UHFFFAOYSA-N 1 2 227.333 1.478 20 0 BDADLO CCC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001142723585 961688827 /nfs/dbraw/zinc/68/88/27/961688827.db2.gz FSRBZFFMSWQDGF-UHFFFAOYSA-N 1 2 207.277 1.634 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc2c(c1)CCO2 ZINC001142729147 961690322 /nfs/dbraw/zinc/69/03/22/961690322.db2.gz WOYBJJYGHPFTKA-UHFFFAOYSA-N 1 2 243.266 1.526 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142882033 961811891 /nfs/dbraw/zinc/81/18/91/961811891.db2.gz BHPBBXWTADCQGZ-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142882033 961811895 /nfs/dbraw/zinc/81/18/95/961811895.db2.gz BHPBBXWTADCQGZ-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccn3ccnc23)CCO1 ZINC001142944258 961845938 /nfs/dbraw/zinc/84/59/38/961845938.db2.gz HYARSSMTVFMLBF-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccn3ccnc23)CCO1 ZINC001142944258 961845940 /nfs/dbraw/zinc/84/59/40/961845940.db2.gz HYARSSMTVFMLBF-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO c1cn2cccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)c2n1 ZINC001142961660 961857513 /nfs/dbraw/zinc/85/75/13/961857513.db2.gz NYPYIGQQGXXWBC-TXEJJXNPSA-N 1 2 229.283 1.307 20 0 BDADLO c1cn2cccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)c2n1 ZINC001142961660 961857515 /nfs/dbraw/zinc/85/75/15/961857515.db2.gz NYPYIGQQGXXWBC-TXEJJXNPSA-N 1 2 229.283 1.307 20 0 BDADLO F[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)C[C@@H]1F ZINC001143021744 961867711 /nfs/dbraw/zinc/86/77/11/961867711.db2.gz DWLZVJSIPXIEPZ-PHIMTYICSA-N 1 2 237.253 1.826 20 0 BDADLO O=C1CCN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143028872 961871581 /nfs/dbraw/zinc/87/15/81/961871581.db2.gz KGZIAGYIVRIESW-UHFFFAOYSA-N 1 2 215.256 1.109 20 0 BDADLO Cc1ccc2[nH]c(C(=O)NC3C[NH+](C)C3)cc2c1 ZINC001149493567 962099587 /nfs/dbraw/zinc/09/95/87/962099587.db2.gz LAMRJEFAAUVIRM-UHFFFAOYSA-N 1 2 243.310 1.520 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC001151113292 962250382 /nfs/dbraw/zinc/25/03/82/962250382.db2.gz MJOTUMIZQUMODI-UHFFFAOYSA-N 1 2 247.273 1.351 20 0 BDADLO CCCCC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001269200101 962527055 /nfs/dbraw/zinc/52/70/55/962527055.db2.gz HNLSNTZRDWLCBD-JTQLQIEISA-N 1 2 216.300 1.337 20 0 BDADLO CCCCC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001269200101 962527065 /nfs/dbraw/zinc/52/70/65/962527065.db2.gz HNLSNTZRDWLCBD-JTQLQIEISA-N 1 2 216.300 1.337 20 0 BDADLO COc1c[nH+]c(NCc2ncon2)c(C)c1 ZINC001154895679 962875323 /nfs/dbraw/zinc/87/53/23/962875323.db2.gz BJZSAZONZIDZKE-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO CS(=O)(=O)CCNc1cccc(C2CC2)[nH+]1 ZINC001154931282 962907094 /nfs/dbraw/zinc/90/70/94/962907094.db2.gz AOEJYQVFAMNKGF-UHFFFAOYSA-N 1 2 240.328 1.416 20 0 BDADLO CC(C)(C)CNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001161636646 962907740 /nfs/dbraw/zinc/90/77/40/962907740.db2.gz IGLXIHGONIUWOB-UHFFFAOYSA-N 1 2 235.287 1.871 20 0 BDADLO CSc1cc[nH+]c(NC2(C(N)=O)CC2)c1 ZINC001155094146 962961515 /nfs/dbraw/zinc/96/15/15/962961515.db2.gz URYWVKQCXYOYQC-UHFFFAOYSA-N 1 2 223.301 1.233 20 0 BDADLO Cc1cnccc1CNc1cc(N(C)C)nc[nH+]1 ZINC001155217758 963025550 /nfs/dbraw/zinc/02/55/50/963025550.db2.gz OYNTUXNYTPPYOQ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1cnccc1CNc1cc(N(C)C)[nH+]cn1 ZINC001155217758 963025560 /nfs/dbraw/zinc/02/55/60/963025560.db2.gz OYNTUXNYTPPYOQ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cn1cccc1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206658106 963155846 /nfs/dbraw/zinc/15/58/46/963155846.db2.gz VABVEKIODPVCSK-SNVBAGLBSA-N 1 2 229.274 1.193 20 0 BDADLO Cn1cccc1C[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206658106 963155855 /nfs/dbraw/zinc/15/58/55/963155855.db2.gz VABVEKIODPVCSK-SNVBAGLBSA-N 1 2 229.274 1.193 20 0 BDADLO Cc1cc(F)cc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC001143580491 963158303 /nfs/dbraw/zinc/15/83/03/963158303.db2.gz LSABRMQEOLCIAT-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1cc(F)cc(C[N@H+]2CCCNC(=O)C2)c1 ZINC001143580491 963158313 /nfs/dbraw/zinc/15/83/13/963158313.db2.gz LSABRMQEOLCIAT-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2CCOCC23CC3)c1 ZINC001155835190 963184333 /nfs/dbraw/zinc/18/43/33/963184333.db2.gz WEOIISXFFFRSCW-UHFFFAOYSA-N 1 2 239.706 1.686 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CO[C@@H](C)C2)c[nH+]1 ZINC001156538384 963379162 /nfs/dbraw/zinc/37/91/62/963379162.db2.gz SRXKSNRNWNNBOM-IUCAKERBSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CO[C@@H](C)C2)[nH+]1 ZINC001156538384 963379167 /nfs/dbraw/zinc/37/91/67/963379167.db2.gz SRXKSNRNWNNBOM-IUCAKERBSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]c(CNC(=O)CCCF)c[nH+]1 ZINC001156537994 963382572 /nfs/dbraw/zinc/38/25/72/963382572.db2.gz GVRAPUCRQXPTLQ-UHFFFAOYSA-N 1 2 213.256 1.338 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCCF)[nH+]1 ZINC001156537994 963382583 /nfs/dbraw/zinc/38/25/83/963382583.db2.gz GVRAPUCRQXPTLQ-UHFFFAOYSA-N 1 2 213.256 1.338 20 0 BDADLO CSc1cnc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156757494 963453824 /nfs/dbraw/zinc/45/38/24/963453824.db2.gz UKIOHHILMUMJNQ-UHFFFAOYSA-N 1 2 247.327 1.788 20 0 BDADLO Nc1cc(CNc2ccnc(C3CC3)n2)cc[nH+]1 ZINC001156757087 963455009 /nfs/dbraw/zinc/45/50/09/963455009.db2.gz KRGVSGVCAWAZKA-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO Cc1ccnnc1NCc1cc[nH+]c(N)c1 ZINC001156755977 963455562 /nfs/dbraw/zinc/45/55/62/963455562.db2.gz MDSFMLSNNSCZDC-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO CC(C)[C@@H](C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156965192 963500827 /nfs/dbraw/zinc/50/08/27/963500827.db2.gz VZJOJSZRRJSJLD-MRVPVSSYSA-N 1 2 246.314 1.919 20 0 BDADLO CCC=CNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156979608 963506099 /nfs/dbraw/zinc/50/60/99/963506099.db2.gz UUNRZJVAKGMREN-ZZXKWVIFSA-N 1 2 230.271 1.799 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)[C@@H](C)[C@@H](C)O1 ZINC001355281094 963509341 /nfs/dbraw/zinc/50/93/41/963509341.db2.gz VJFLSGXMXMTOAC-OUAUKWLOSA-N 1 2 246.314 1.731 20 0 BDADLO CNC(=O)c1nc(NC=[NH2+])ccc1Cl ZINC001157077103 963521564 /nfs/dbraw/zinc/52/15/64/963521564.db2.gz FLHRRWFTMYEURJ-UHFFFAOYSA-N 1 2 212.640 1.114 20 0 BDADLO CC[C@@H](C)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001157237676 963560057 /nfs/dbraw/zinc/56/00/57/963560057.db2.gz IXZPLMYKUWCEFD-SNVBAGLBSA-N 1 2 231.303 1.932 20 0 BDADLO O=C1O[C@H]2C[C@@H]1N(c1[nH+]ccc3[nH]ccc31)C2 ZINC001157283223 963570998 /nfs/dbraw/zinc/57/09/98/963570998.db2.gz SWDFXBRKFXIMPV-XVKPBYJWSA-N 1 2 229.239 1.067 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCOC1 ZINC001157418289 963601343 /nfs/dbraw/zinc/60/13/43/963601343.db2.gz OMMVTWYKJWIVFM-UHFFFAOYSA-N 1 2 231.255 1.154 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168074525 963610085 /nfs/dbraw/zinc/61/00/85/963610085.db2.gz JKUVLMXHZPQJDZ-UWVGGRQHSA-N 1 2 227.304 1.239 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ccncn1 ZINC001157461180 963620659 /nfs/dbraw/zinc/62/06/59/963620659.db2.gz DNGOPCWZHDJXOP-UHFFFAOYSA-N 1 2 217.276 1.200 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1C[C@@H](CO)C1 ZINC001157464162 963621033 /nfs/dbraw/zinc/62/10/33/963621033.db2.gz SJAPDWFLLWKRHC-AOOOYVTPSA-N 1 2 222.288 1.581 20 0 BDADLO COCc1cc[nH+]c(NC[C@H]2COCCO2)c1 ZINC001157481938 963628694 /nfs/dbraw/zinc/62/86/94/963628694.db2.gz MVBZSPMBPQHYQM-NSHDSACASA-N 1 2 238.287 1.055 20 0 BDADLO c1ncn(Cc2ccc(NC3CSC3)[nH+]c2)n1 ZINC001157579251 963668939 /nfs/dbraw/zinc/66/89/39/963668939.db2.gz DNMSFBSRZXXUEY-UHFFFAOYSA-N 1 2 247.327 1.249 20 0 BDADLO CSCc1cc[nH+]c(NCCC(N)=O)c1 ZINC001158112989 963811444 /nfs/dbraw/zinc/81/14/44/963811444.db2.gz LPGJKTZAYQZJLX-UHFFFAOYSA-N 1 2 225.317 1.232 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cncn2C)cn1 ZINC001204386320 963919684 /nfs/dbraw/zinc/91/96/84/963919684.db2.gz UMMDSBGNZMQYIY-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cncn2C)cn1 ZINC001204386320 963919688 /nfs/dbraw/zinc/91/96/88/963919688.db2.gz UMMDSBGNZMQYIY-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(CN(C)Cc2c[nH+]cn2C)cn1 ZINC001204386320 963919691 /nfs/dbraw/zinc/91/96/91/963919691.db2.gz UMMDSBGNZMQYIY-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO O=C1C[C@H]([NH2+]C2(C(F)F)CC2)CCCN1 ZINC000697434429 963923556 /nfs/dbraw/zinc/92/35/56/963923556.db2.gz XBWMZGKBDIWJPX-SSDOTTSWSA-N 1 2 218.247 1.042 20 0 BDADLO CNc1ccc(N[C@@H]2CCOC[C@H]2OC)c[nH+]1 ZINC001168194883 963960777 /nfs/dbraw/zinc/96/07/77/963960777.db2.gz QGPHZVGHSRTPLL-GHMZBOCLSA-N 1 2 237.303 1.339 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001159000217 963973679 /nfs/dbraw/zinc/97/36/79/963973679.db2.gz JTHJJVFPGLYFRX-NEPJUHHUSA-N 1 2 245.326 1.899 20 0 BDADLO COC(=O)[C@]1([NH2+]C2CCC(C)CC2)CCOC1 ZINC001168208766 963985349 /nfs/dbraw/zinc/98/53/49/963985349.db2.gz CPNBQJPXHZQKSU-XIVSLSHWSA-N 1 2 241.331 1.487 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@H](NC(C)=O)C1 ZINC001159508007 964116414 /nfs/dbraw/zinc/11/64/14/964116414.db2.gz LWMAKCCLUVCWPJ-MGCOHNPYSA-N 1 2 235.287 1.169 20 0 BDADLO COc1cncc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095815 964257458 /nfs/dbraw/zinc/25/74/58/964257458.db2.gz VWZPZYZQEQOQQJ-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO CC(C)[NH+]1CC(Nc2nnccc2Cl)C1 ZINC001168311658 964410566 /nfs/dbraw/zinc/41/05/66/964410566.db2.gz HMUWDBYUVMUJMP-UHFFFAOYSA-N 1 2 226.711 1.635 20 0 BDADLO N=c1scc(N)n1-c1cccc2[nH]c[nH+]c21 ZINC001213027050 964435448 /nfs/dbraw/zinc/43/54/48/964435448.db2.gz GMMGFTQISWYVKS-UHFFFAOYSA-N 1 2 231.284 1.477 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2C[C@@H](F)[C@H](F)C2)c1 ZINC000714715615 964503506 /nfs/dbraw/zinc/50/35/06/964503506.db2.gz SESMSPJLJASJKO-RNFRBKRXSA-N 1 2 233.649 1.813 20 0 BDADLO CN(C)c1cnc(NCCCn2cc[nH+]c2)cn1 ZINC001161684827 964681972 /nfs/dbraw/zinc/68/19/72/964681972.db2.gz RQOLNIAMVPPBOD-UHFFFAOYSA-N 1 2 246.318 1.241 20 0 BDADLO c1cn(CCCNc2ncc3[nH]cnc3n2)c[nH+]1 ZINC001161681285 964682943 /nfs/dbraw/zinc/68/29/43/964682943.db2.gz OYORSNRRJYPWIP-UHFFFAOYSA-N 1 2 243.274 1.003 20 0 BDADLO Cn1ccccc1=NCCCn1cc[nH+]c1 ZINC001161681364 964684820 /nfs/dbraw/zinc/68/48/20/964684820.db2.gz UFXCGYFDWZUXAU-UHFFFAOYSA-N 1 2 216.288 1.213 20 0 BDADLO c1cn(CCCNc2cccc3n[nH]nc32)c[nH+]1 ZINC001161687808 964688668 /nfs/dbraw/zinc/68/86/68/964688668.db2.gz DXXAMVGKVHFHQZ-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO c1cn(CCCNc2cccc3[nH]nnc32)c[nH+]1 ZINC001161687808 964688669 /nfs/dbraw/zinc/68/86/69/964688669.db2.gz DXXAMVGKVHFHQZ-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO Nc1nc[nH+]c2cc(N3CCOCC3)ccc12 ZINC001161695488 964690414 /nfs/dbraw/zinc/69/04/14/964690414.db2.gz LRMULQVHKADMPT-UHFFFAOYSA-N 1 2 230.271 1.049 20 0 BDADLO C[C@@H](O)[C@@H](CO)Nc1[nH+]cccc1-n1cccc1 ZINC001161772969 964745171 /nfs/dbraw/zinc/74/51/71/964745171.db2.gz IDCMOMFTEKIBQZ-GHMZBOCLSA-N 1 2 247.298 1.026 20 0 BDADLO Cn1cc(CNc2[nH+]cnc3[nH]cc(F)c32)cn1 ZINC001161847714 964787681 /nfs/dbraw/zinc/78/76/81/964787681.db2.gz AYRITJXJXAFGBJ-UHFFFAOYSA-N 1 2 246.249 1.394 20 0 BDADLO CNc1ccc(NCc2ccnn2C)c[nH+]1 ZINC001161874007 964803060 /nfs/dbraw/zinc/80/30/60/964803060.db2.gz LFGAZQWOKQSMAU-UHFFFAOYSA-N 1 2 217.276 1.469 20 0 BDADLO Fc1c[nH]c2nc[nH+]c(NCC3COC3)c12 ZINC001161942982 964827066 /nfs/dbraw/zinc/82/70/66/964827066.db2.gz FWKMPXKSKPZPAS-UHFFFAOYSA-N 1 2 222.223 1.107 20 0 BDADLO C[C@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001162073221 964845757 /nfs/dbraw/zinc/84/57/57/964845757.db2.gz DVYUURMJSPOPBE-SECBINFHSA-N 1 2 242.282 1.675 20 0 BDADLO CCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224669430 964864050 /nfs/dbraw/zinc/86/40/50/964864050.db2.gz FNWVALWTQDIOHQ-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224669430 964864053 /nfs/dbraw/zinc/86/40/53/964864053.db2.gz FNWVALWTQDIOHQ-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)c1[nH+]ccc(NC2CC(F)C2)c1C ZINC001162213540 964874077 /nfs/dbraw/zinc/87/40/77/964874077.db2.gz FFBZUIJUBVPONS-UHFFFAOYSA-N 1 2 238.262 1.511 20 0 BDADLO c1ccn(-c2ccc(NCc3ncon3)[nH+]c2)c1 ZINC001162280778 964907988 /nfs/dbraw/zinc/90/79/88/964907988.db2.gz PRGYAAUFYQBAKO-UHFFFAOYSA-N 1 2 241.254 1.867 20 0 BDADLO c1nc(CNc2ccc(N3CCCC3)[nH+]c2)no1 ZINC001162282748 964911257 /nfs/dbraw/zinc/91/12/57/964911257.db2.gz QHHAQSUKGMJTJL-UHFFFAOYSA-N 1 2 245.286 1.677 20 0 BDADLO O=C1C[C@H](CNc2c[nH+]c3c(c2)CCC3)CCN1 ZINC001162332231 964936178 /nfs/dbraw/zinc/93/61/78/964936178.db2.gz FFKFLWDCHSHONP-SNVBAGLBSA-N 1 2 245.326 1.508 20 0 BDADLO Cc1cc[nH+]cc1NC[C@@H]1CCNC(=O)C1 ZINC001162332547 964936218 /nfs/dbraw/zinc/93/62/18/964936218.db2.gz IQEWPXJOJQFSED-SNVBAGLBSA-N 1 2 219.288 1.328 20 0 BDADLO Cc1cc(NC2(C(N)=O)CC2)[nH+]c2cc[nH]c21 ZINC001162549238 965038283 /nfs/dbraw/zinc/03/82/83/965038283.db2.gz MERPCHXAIBFXTH-UHFFFAOYSA-N 1 2 230.271 1.301 20 0 BDADLO Cc1nc(NCCC(=O)N(C)C2CC2)cc[nH+]1 ZINC001162627811 965078698 /nfs/dbraw/zinc/07/86/98/965078698.db2.gz PRIOWOBELWDXJF-UHFFFAOYSA-N 1 2 234.303 1.208 20 0 BDADLO Cc1c[nH]c2nc[nH+]c(NC3=CC(=O)NCC3)c12 ZINC001162642846 965084475 /nfs/dbraw/zinc/08/44/75/965084475.db2.gz FJBPJBATBMWELO-UHFFFAOYSA-N 1 2 243.270 1.082 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CNC(=O)C2(C)C)c1 ZINC001163009058 965226137 /nfs/dbraw/zinc/22/61/37/965226137.db2.gz QXSUHALGRHELPF-SNVBAGLBSA-N 1 2 249.314 1.165 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@H]1CNC(=O)C1(C)C ZINC001163011594 965230098 /nfs/dbraw/zinc/23/00/98/965230098.db2.gz MAIHINKYUPTLGU-VIFPVBQESA-N 1 2 237.278 1.466 20 0 BDADLO CC[C@@H](CO)Nc1ccc(Cl)c(N)[nH+]1 ZINC001163049877 965244952 /nfs/dbraw/zinc/24/49/52/965244952.db2.gz HVQCINDLHALUCV-LURJTMIESA-N 1 2 215.684 1.500 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cccs1 ZINC000059219612 965246957 /nfs/dbraw/zinc/24/69/57/965246957.db2.gz VHAXLCDUMMKZIR-UHFFFAOYSA-N 1 2 222.269 1.802 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cncnc2)c[nH+]1 ZINC001232468038 965360997 /nfs/dbraw/zinc/36/09/97/965360997.db2.gz KGBSYCSYIQSWHV-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2cncnc2)[nH+]1 ZINC001232468038 965361006 /nfs/dbraw/zinc/36/10/06/965361006.db2.gz KGBSYCSYIQSWHV-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000088630604 965504604 /nfs/dbraw/zinc/50/46/04/965504604.db2.gz CFZKXURSQPRGNA-RBWIOGKGSA-N 1 2 239.315 1.359 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000088630604 965504613 /nfs/dbraw/zinc/50/46/13/965504613.db2.gz CFZKXURSQPRGNA-RBWIOGKGSA-N 1 2 239.315 1.359 20 0 BDADLO CNc1ccc(Nc2ncccc2C(N)=O)c[nH+]1 ZINC001203450188 965550175 /nfs/dbraw/zinc/55/01/75/965550175.db2.gz XHUXKRGQYMJZFB-UHFFFAOYSA-N 1 2 243.270 1.361 20 0 BDADLO Cc1nc(N2CC3(CC(O)C3)C2)cc(C(C)C)[nH+]1 ZINC001163734989 965552694 /nfs/dbraw/zinc/55/26/94/965552694.db2.gz ABWBVLINZGLZIG-UHFFFAOYSA-N 1 2 247.342 1.870 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1)n1cc[nH+]c1 ZINC001163878096 965617356 /nfs/dbraw/zinc/61/73/56/965617356.db2.gz RZFKWPIDDWKWFI-QCNOEVLYSA-N 1 2 249.314 1.128 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000698954177 965630999 /nfs/dbraw/zinc/63/09/99/965630999.db2.gz WQEQZDFDAFDJJC-JTQLQIEISA-N 1 2 221.247 1.322 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000698954177 965631006 /nfs/dbraw/zinc/63/10/06/965631006.db2.gz WQEQZDFDAFDJJC-JTQLQIEISA-N 1 2 221.247 1.322 20 0 BDADLO Nc1ccc(N2CCOCC(F)(F)C2)[nH+]c1 ZINC001163972415 965666226 /nfs/dbraw/zinc/66/62/26/965666226.db2.gz BNQCQAADXICQJB-UHFFFAOYSA-N 1 2 229.230 1.136 20 0 BDADLO Cc1cc(N2C[C@@H](O)[C@@H](F)C2)nc(C2CC2)[nH+]1 ZINC001164109678 965738349 /nfs/dbraw/zinc/73/83/49/965738349.db2.gz SENCXLIDSVFNNF-VHSXEESVSA-N 1 2 237.278 1.181 20 0 BDADLO CO[C@@H]1CN(c2ccc(Cl)c(N)[nH+]2)C[C@@H]1F ZINC001164130677 965754420 /nfs/dbraw/zinc/75/44/20/965754420.db2.gz OWHHYORKRRRBPR-JGVFFNPUSA-N 1 2 245.685 1.490 20 0 BDADLO Cc1c[nH+]cc(NC[C@@H]2CCC(=O)N2)c1C ZINC001164166492 965771845 /nfs/dbraw/zinc/77/18/45/965771845.db2.gz CDRLPRZZCZRNHB-JTQLQIEISA-N 1 2 219.288 1.389 20 0 BDADLO CCCc1cc(N2CC[C@@H](C)[C@H](O)C2)nc(C)[nH+]1 ZINC001164273888 965816674 /nfs/dbraw/zinc/81/66/74/965816674.db2.gz YMSQFDVGZBFEPM-ZWNOBZJWSA-N 1 2 249.358 1.945 20 0 BDADLO O=c1[nH][nH]cc1CCC[NH2+]c1ccc(O)cc1 ZINC001164381933 965865671 /nfs/dbraw/zinc/86/56/71/965865671.db2.gz IEEKDYCIMGQNCN-VIFPVBQESA-N 1 2 233.271 1.316 20 0 BDADLO CCc1nccnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164493283 965895184 /nfs/dbraw/zinc/89/51/84/965895184.db2.gz TVINDKHBVIAEHL-UHFFFAOYSA-N 1 2 242.273 1.084 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC(C)(F)C1 ZINC001164589127 965929552 /nfs/dbraw/zinc/92/95/52/965929552.db2.gz OMZKJNCJZCGXNZ-UHFFFAOYSA-N 1 2 210.252 1.947 20 0 BDADLO FCC[NH+]1CCN(c2ccc3occc3n2)CC1 ZINC001165105264 965958421 /nfs/dbraw/zinc/95/84/21/965958421.db2.gz TZARUBHGFHZPDU-UHFFFAOYSA-N 1 2 249.289 1.919 20 0 BDADLO CCc1nc(N2CCCC(=O)CC2)cc[nH+]1 ZINC001165465840 966100828 /nfs/dbraw/zinc/10/08/28/966100828.db2.gz FXECYOGVBNYFMB-UHFFFAOYSA-N 1 2 219.288 1.598 20 0 BDADLO Nc1ccc(NC2(c3cccnn3)CC2)c[nH+]1 ZINC001168513399 966213892 /nfs/dbraw/zinc/21/38/92/966213892.db2.gz GOWNAOCTXWVLGP-UHFFFAOYSA-N 1 2 227.271 1.555 20 0 BDADLO O=C(NC1CC[NH+](CCF)CC1)C(F)(F)F ZINC001142768188 966312760 /nfs/dbraw/zinc/31/27/60/966312760.db2.gz ZMMLNXQQDXPRPR-UHFFFAOYSA-N 1 2 242.216 1.099 20 0 BDADLO Cc1nc(N2CCNC(=O)C2(C)C)c(C)c(C)[nH+]1 ZINC001166608252 966321673 /nfs/dbraw/zinc/32/16/73/966321673.db2.gz MDBIJCXQBSCYHO-UHFFFAOYSA-N 1 2 248.330 1.117 20 0 BDADLO CC(=O)OC1CN(c2[nH+]ccc3ccccc32)C1 ZINC001166638177 966341388 /nfs/dbraw/zinc/34/13/88/966341388.db2.gz SDKFPVNCMOMCGJ-UHFFFAOYSA-N 1 2 242.278 1.987 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC(OC(C)=O)C1 ZINC001166638056 966348849 /nfs/dbraw/zinc/34/88/49/966348849.db2.gz UQORMLSLMZIVBX-UHFFFAOYSA-N 1 2 236.271 1.150 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001124009577 966350858 /nfs/dbraw/zinc/35/08/58/966350858.db2.gz CNDLVXBPPJGRBD-QWRGUYRKSA-N 1 2 235.331 1.515 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C(C)(C)C)co1 ZINC001124058690 966369748 /nfs/dbraw/zinc/36/97/48/966369748.db2.gz VXYPNDTVHURVSD-UHFFFAOYSA-N 1 2 239.319 1.399 20 0 BDADLO CSc1cc[nH+]c(N2C[C@@H]3C[C@H]2CO3)c1 ZINC001166754862 966395331 /nfs/dbraw/zinc/39/53/31/966395331.db2.gz CSELSKCHWBNNFD-IUCAKERBSA-N 1 2 222.313 1.781 20 0 BDADLO COc1ccc(C)[nH+]c1N1Cc2cnn(C)c2C1 ZINC001166761237 966399764 /nfs/dbraw/zinc/39/97/64/966399764.db2.gz AGCBNLSOCOEROW-UHFFFAOYSA-N 1 2 244.298 1.652 20 0 BDADLO COc1ccc2[nH+]c(N3CC(O)C3)cc(C)c2c1 ZINC001166937762 966454299 /nfs/dbraw/zinc/45/42/99/966454299.db2.gz UMIGPBXIJWTBCH-UHFFFAOYSA-N 1 2 244.294 1.733 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC2(CCO2)C1 ZINC001166942598 966465141 /nfs/dbraw/zinc/46/51/41/966465141.db2.gz YLDLDKAXELZHDB-UHFFFAOYSA-N 1 2 247.298 1.328 20 0 BDADLO FC1(F)C[C@H]2C[N@H+](Cc3ccco3)CCN2C1 ZINC001203285626 966594625 /nfs/dbraw/zinc/59/46/25/966594625.db2.gz RMOKRQVIDGXIFM-JTQLQIEISA-N 1 2 242.269 1.805 20 0 BDADLO FC1(F)C[C@H]2C[N@@H+](Cc3ccco3)CCN2C1 ZINC001203285626 966594636 /nfs/dbraw/zinc/59/46/36/966594636.db2.gz RMOKRQVIDGXIFM-JTQLQIEISA-N 1 2 242.269 1.805 20 0 BDADLO Cc1ccc(Nc2nccnc2C(N)=O)c(C)[nH+]1 ZINC001203370695 966618469 /nfs/dbraw/zinc/61/84/69/966618469.db2.gz SIOUAEAFZRCFDV-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO CNc1ccc(Nc2cnn(C)c2C)c[nH+]1 ZINC001203446969 966647991 /nfs/dbraw/zinc/64/79/91/966647991.db2.gz ICNWNTDNJSSVOV-UHFFFAOYSA-N 1 2 217.276 1.909 20 0 BDADLO CCOc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001203535446 966674562 /nfs/dbraw/zinc/67/45/62/966674562.db2.gz VHLIZDFOKRMSAL-NWDGAFQWSA-N 1 2 239.290 1.600 20 0 BDADLO CCOc1ccccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001203535446 966674572 /nfs/dbraw/zinc/67/45/72/966674572.db2.gz VHLIZDFOKRMSAL-NWDGAFQWSA-N 1 2 239.290 1.600 20 0 BDADLO Cc1cc(NC(=O)c2cnc(F)cc2C)cc[nH+]1 ZINC001127729453 966774820 /nfs/dbraw/zinc/77/48/20/966774820.db2.gz ACDIPNJPTLTTDG-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CCN(Cc1cccc(O)c1)C1C[NH+](C)C1 ZINC001203867499 966801526 /nfs/dbraw/zinc/80/15/26/966801526.db2.gz NCPOESZMGDBYQI-UHFFFAOYSA-N 1 2 220.316 1.528 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)cc1O ZINC001203874118 966804711 /nfs/dbraw/zinc/80/47/11/966804711.db2.gz ORWZVPMUXFZJII-LBPRGKRZSA-N 1 2 249.310 1.954 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@H]2C(C)=O)cc1O ZINC001203874118 966804715 /nfs/dbraw/zinc/80/47/15/966804715.db2.gz ORWZVPMUXFZJII-LBPRGKRZSA-N 1 2 249.310 1.954 20 0 BDADLO CC(C)=CC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107616944 966809222 /nfs/dbraw/zinc/80/92/22/966809222.db2.gz RDBMZIGJYFNOTJ-SNVBAGLBSA-N 1 2 248.330 1.668 20 0 BDADLO COc1ccc(C[N@@H+]2CCC23COC3)cc1C ZINC001203897828 966816321 /nfs/dbraw/zinc/81/63/21/966816321.db2.gz FPYGRRWOCUJLJZ-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO COc1ccc(C[N@H+]2CCC23COC3)cc1C ZINC001203897828 966816322 /nfs/dbraw/zinc/81/63/22/966816322.db2.gz FPYGRRWOCUJLJZ-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001203980547 966840102 /nfs/dbraw/zinc/84/01/02/966840102.db2.gz ZAIFPGUQPHJHCN-GFCCVEGCSA-N 1 2 243.310 1.845 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001203980547 966840106 /nfs/dbraw/zinc/84/01/06/966840106.db2.gz ZAIFPGUQPHJHCN-GFCCVEGCSA-N 1 2 243.310 1.845 20 0 BDADLO O[C@]1(CF)CC[N@H+](Cc2ccsc2)C[C@@H]1F ZINC001204035179 966859824 /nfs/dbraw/zinc/85/98/24/966859824.db2.gz VEQPZCGNSJBIHG-QWRGUYRKSA-N 1 2 247.310 1.993 20 0 BDADLO O[C@]1(CF)CC[N@@H+](Cc2ccsc2)C[C@@H]1F ZINC001204035179 966859830 /nfs/dbraw/zinc/85/98/30/966859830.db2.gz VEQPZCGNSJBIHG-QWRGUYRKSA-N 1 2 247.310 1.993 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1c[nH]c2ccccc12 ZINC001204046912 966869624 /nfs/dbraw/zinc/86/96/24/966869624.db2.gz AGDCYFXQSNQISD-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1c[nH]c2ccccc12 ZINC001204046912 966869628 /nfs/dbraw/zinc/86/96/28/966869628.db2.gz AGDCYFXQSNQISD-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[N@H+](Cc1ccc2c(c1)OCO2)C1COC1 ZINC001204051944 966871554 /nfs/dbraw/zinc/87/15/54/966871554.db2.gz ASYGYJOXJPCMFI-UHFFFAOYSA-N 1 2 221.256 1.246 20 0 BDADLO C[N@@H+](Cc1ccc2c(c1)OCO2)C1COC1 ZINC001204051944 966871558 /nfs/dbraw/zinc/87/15/58/966871558.db2.gz ASYGYJOXJPCMFI-UHFFFAOYSA-N 1 2 221.256 1.246 20 0 BDADLO Cc1cccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)n1 ZINC001204068335 966874430 /nfs/dbraw/zinc/87/44/30/966874430.db2.gz ZPQULBFNRLIIOF-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1cccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)n1 ZINC001204068335 966874434 /nfs/dbraw/zinc/87/44/34/966874434.db2.gz ZPQULBFNRLIIOF-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cccnc2)C1 ZINC001204068981 966878718 /nfs/dbraw/zinc/87/87/18/966878718.db2.gz IYGSHWPKAGWWGC-NWDGAFQWSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cccnc2)C1 ZINC001204068981 966878720 /nfs/dbraw/zinc/87/87/20/966878720.db2.gz IYGSHWPKAGWWGC-NWDGAFQWSA-N 1 2 224.279 1.234 20 0 BDADLO Cc1cccc(C[N@H+]2CCCN(C)C(=O)C2)n1 ZINC001204069557 966880823 /nfs/dbraw/zinc/88/08/23/966880823.db2.gz SWLKASAWPDQXFU-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1cccc(C[N@@H+]2CCCN(C)C(=O)C2)n1 ZINC001204069557 966880826 /nfs/dbraw/zinc/88/08/26/966880826.db2.gz SWLKASAWPDQXFU-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC001204090835 966888757 /nfs/dbraw/zinc/88/87/57/966888757.db2.gz KPLUJIMCIDFYCZ-VXGBXAGGSA-N 1 2 225.263 1.297 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC001204090835 966888760 /nfs/dbraw/zinc/88/87/60/966888760.db2.gz KPLUJIMCIDFYCZ-VXGBXAGGSA-N 1 2 225.263 1.297 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)ccc1O ZINC001204119385 966897826 /nfs/dbraw/zinc/89/78/26/966897826.db2.gz XTUGRUAPNOQLGB-VXGBXAGGSA-N 1 2 249.310 1.764 20 0 BDADLO COc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)ccc1O ZINC001204119385 966897832 /nfs/dbraw/zinc/89/78/32/966897832.db2.gz XTUGRUAPNOQLGB-VXGBXAGGSA-N 1 2 249.310 1.764 20 0 BDADLO CC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001204174082 966912369 /nfs/dbraw/zinc/91/23/69/966912369.db2.gz RPZAZVBBYKZXIU-CQSZACIVSA-N 1 2 233.311 1.785 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001204174082 966912374 /nfs/dbraw/zinc/91/23/74/966912374.db2.gz RPZAZVBBYKZXIU-CQSZACIVSA-N 1 2 233.311 1.785 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccoc2)C1 ZINC001204241005 966937745 /nfs/dbraw/zinc/93/77/45/966937745.db2.gz QQKGWWHHVHCWAI-GHMZBOCLSA-N 1 2 213.252 1.432 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccoc2)C1 ZINC001204241005 966937754 /nfs/dbraw/zinc/93/77/54/966937754.db2.gz QQKGWWHHVHCWAI-GHMZBOCLSA-N 1 2 213.252 1.432 20 0 BDADLO C[C@@H]1CCN(Cc2c[nH+]cn2C)CCC1=O ZINC001204383227 966982613 /nfs/dbraw/zinc/98/26/13/966982613.db2.gz BAQCWWRWSPTWOU-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO Nc1c2cc(F)cnc2nn1-c1ccc[nH+]c1N ZINC001212391755 967009679 /nfs/dbraw/zinc/00/96/79/967009679.db2.gz ZLGSPFDCVDZAFO-UHFFFAOYSA-N 1 2 244.233 1.119 20 0 BDADLO Cc1cc(Nc2ccc[nH]c2=O)c[nH+]c1N ZINC001249782615 967060050 /nfs/dbraw/zinc/06/00/50/967060050.db2.gz ZCWGSHMGUQJUAC-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001204587895 967074000 /nfs/dbraw/zinc/07/40/00/967074000.db2.gz MGQIRTYYGWFHPF-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCc2cccnc2C1 ZINC001204582898 967076839 /nfs/dbraw/zinc/07/68/39/967076839.db2.gz OGRXMBVSOVBCLH-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCc2cccnc2C1 ZINC001204582898 967076851 /nfs/dbraw/zinc/07/68/51/967076851.db2.gz OGRXMBVSOVBCLH-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1[nH]cnc1C ZINC001204592601 967088738 /nfs/dbraw/zinc/08/87/38/967088738.db2.gz NZTJDMYJLMRSJR-LBPRGKRZSA-N 1 2 221.304 1.662 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1[nH]cnc1C ZINC001204592601 967088742 /nfs/dbraw/zinc/08/87/42/967088742.db2.gz NZTJDMYJLMRSJR-LBPRGKRZSA-N 1 2 221.304 1.662 20 0 BDADLO CCn1cnc(Cl)c1C[N@H+](CC)CCCO ZINC001204616313 967103121 /nfs/dbraw/zinc/10/31/21/967103121.db2.gz UBMAFDREGZGNHZ-UHFFFAOYSA-N 1 2 245.754 1.761 20 0 BDADLO CCn1cnc(Cl)c1C[N@@H+](CC)CCCO ZINC001204616313 967103123 /nfs/dbraw/zinc/10/31/23/967103123.db2.gz UBMAFDREGZGNHZ-UHFFFAOYSA-N 1 2 245.754 1.761 20 0 BDADLO Cc1nonc1Nc1ccn2cc[nH+]c2c1 ZINC001204951540 967249644 /nfs/dbraw/zinc/24/96/44/967249644.db2.gz UZJLOYYMDPYUPI-UHFFFAOYSA-N 1 2 215.216 1.769 20 0 BDADLO CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC001485838185 967268163 /nfs/dbraw/zinc/26/81/63/967268163.db2.gz AQWRCLPZDXKFJG-HTQZYQBOSA-N 1 2 242.348 1.056 20 0 BDADLO c1cc(N2CCOCC2)[nH+]cc1C1CC1 ZINC001250032287 967287538 /nfs/dbraw/zinc/28/75/38/967287538.db2.gz IYVPEMYGRBDSEH-UHFFFAOYSA-N 1 2 204.273 1.796 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1C[NH3+] ZINC001205151076 967396506 /nfs/dbraw/zinc/39/65/06/967396506.db2.gz OQLVMKAKKIVGQA-NWDGAFQWSA-N 1 2 244.342 1.361 20 0 BDADLO CN1C[C@H](CNc2c[nH+]c3c(c2)CCC3)CC1=O ZINC001168724858 967642171 /nfs/dbraw/zinc/64/21/71/967642171.db2.gz BIWRYPAGPYDQPM-JTQLQIEISA-N 1 2 245.326 1.461 20 0 BDADLO CN1C[C@H](CNc2ccn3cc[nH+]c3c2)CC1=O ZINC001168725596 967645374 /nfs/dbraw/zinc/64/53/74/967645374.db2.gz WNQNTNLYHIRVKE-JTQLQIEISA-N 1 2 244.298 1.225 20 0 BDADLO O=C1C[N@H+](CCCCCO)CCC[C@@H]1F ZINC001205537903 967668357 /nfs/dbraw/zinc/66/83/57/967668357.db2.gz KODHNVMNCRXXGP-JTQLQIEISA-N 1 2 217.284 1.152 20 0 BDADLO O=C1C[N@@H+](CCCCCO)CCC[C@@H]1F ZINC001205537903 967668385 /nfs/dbraw/zinc/66/83/85/967668385.db2.gz KODHNVMNCRXXGP-JTQLQIEISA-N 1 2 217.284 1.152 20 0 BDADLO OCc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250316730 967688269 /nfs/dbraw/zinc/68/82/69/967688269.db2.gz VAZIEIIVROFKSN-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO Nc1ncc2cc(CCn3cc[nH+]c3)ccc2n1 ZINC001250318386 967689232 /nfs/dbraw/zinc/68/92/32/967689232.db2.gz FZVJHAOVXDTKLO-UHFFFAOYSA-N 1 2 239.282 1.651 20 0 BDADLO OCc1c(F)cccc1CCn1cc[nH+]c1 ZINC001250320917 967700274 /nfs/dbraw/zinc/70/02/74/967700274.db2.gz SPCYHDJCEKXHGO-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](Cc2cnoc2)C1)C1CC1 ZINC001205731200 967805889 /nfs/dbraw/zinc/80/58/89/967805889.db2.gz DNYSABFLGXAWQI-GFCCVEGCSA-N 1 2 249.314 1.165 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](Cc2cnoc2)C1)C1CC1 ZINC001205731200 967805894 /nfs/dbraw/zinc/80/58/94/967805894.db2.gz DNYSABFLGXAWQI-GFCCVEGCSA-N 1 2 249.314 1.165 20 0 BDADLO Cc1cc(C[N@H+]2CCc3c(ncn3C)C2)n(C)n1 ZINC001205920092 967885027 /nfs/dbraw/zinc/88/50/27/967885027.db2.gz UFIOSNYXDRFBIM-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3c(ncn3C)C2)n(C)n1 ZINC001205920092 967885031 /nfs/dbraw/zinc/88/50/31/967885031.db2.gz UFIOSNYXDRFBIM-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO Cc1cc(C[NH+]2CC3(CSC3)C2)n(C)n1 ZINC001205935163 967891076 /nfs/dbraw/zinc/89/10/76/967891076.db2.gz NWPKWLOPANOUFT-UHFFFAOYSA-N 1 2 223.345 1.277 20 0 BDADLO CNc1cc(NC2C[C@H](C)O[C@@H](C)C2)[nH+]cn1 ZINC000694756455 967940576 /nfs/dbraw/zinc/94/05/76/967940576.db2.gz XGJZGWQSNSOVAN-IUCAKERBSA-N 1 2 236.319 1.886 20 0 BDADLO COc1cccc(C[N@H+]2CCC(=O)[C@H](C)CC2)n1 ZINC001137528301 967961288 /nfs/dbraw/zinc/96/12/88/967961288.db2.gz AKBJBZBHVNKTLN-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1cccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)n1 ZINC001137528301 967961314 /nfs/dbraw/zinc/96/13/14/967961314.db2.gz AKBJBZBHVNKTLN-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO CN(C)c1ccc(Nc2ccn(C)c(=O)c2)c[nH+]1 ZINC001206070130 968033230 /nfs/dbraw/zinc/03/32/30/968033230.db2.gz ATKHSIMKQYBBCB-UHFFFAOYSA-N 1 2 244.298 1.590 20 0 BDADLO CCCN(CC)c1cc(-n2cncn2)nc(C)[nH+]1 ZINC001163607078 968083622 /nfs/dbraw/zinc/08/36/22/968083622.db2.gz TZUFPBFVLBYSPF-UHFFFAOYSA-N 1 2 246.318 1.602 20 0 BDADLO COCCc1[nH]c2ccc(OCOC)cc2[nH+]1 ZINC001250595678 968128788 /nfs/dbraw/zinc/12/87/88/968128788.db2.gz PJUVONLQQCOJMJ-UHFFFAOYSA-N 1 2 236.271 1.735 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)[nH]1 ZINC001206221416 968151247 /nfs/dbraw/zinc/15/12/47/968151247.db2.gz GJKGHSMJQXYUGR-JTQLQIEISA-N 1 2 247.264 1.789 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)[nH]1 ZINC001206221416 968151253 /nfs/dbraw/zinc/15/12/53/968151253.db2.gz GJKGHSMJQXYUGR-JTQLQIEISA-N 1 2 247.264 1.789 20 0 BDADLO c1nnc(C[NH+]2C3CCCC2CCC3)[nH]1 ZINC001118494120 968166088 /nfs/dbraw/zinc/16/60/88/968166088.db2.gz AAGGWDOCLUAYAU-UHFFFAOYSA-N 1 2 206.293 1.712 20 0 BDADLO c1nc(C[NH+]2C3CCCC2CCC3)n[nH]1 ZINC001118494120 968166118 /nfs/dbraw/zinc/16/61/18/968166118.db2.gz AAGGWDOCLUAYAU-UHFFFAOYSA-N 1 2 206.293 1.712 20 0 BDADLO Cc1nc(N2CCC[C@@H](O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001164231107 968197481 /nfs/dbraw/zinc/19/74/81/968197481.db2.gz SGSORIYMFOQFEF-TVQRCGJNSA-N 1 2 249.358 1.999 20 0 BDADLO C[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC001250964724 968226231 /nfs/dbraw/zinc/22/62/31/968226231.db2.gz NJQHOLRJGGBGEZ-IONNQARKSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC001250964724 968226240 /nfs/dbraw/zinc/22/62/40/968226240.db2.gz NJQHOLRJGGBGEZ-IONNQARKSA-N 1 2 239.237 1.211 20 0 BDADLO Cn1nccc1C[N@H+](C)C1CC(F)(F)C1 ZINC001206322858 968231144 /nfs/dbraw/zinc/23/11/44/968231144.db2.gz SWMJFLKZDXYDOL-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO Cn1nccc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001206322858 968231156 /nfs/dbraw/zinc/23/11/56/968231156.db2.gz SWMJFLKZDXYDOL-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO Cn1nccc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001206330253 968234332 /nfs/dbraw/zinc/23/43/32/968234332.db2.gz UNBGMKBIYRZNCW-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1nccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001206330253 968234347 /nfs/dbraw/zinc/23/43/47/968234347.db2.gz UNBGMKBIYRZNCW-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1c[nH+]cc1NS(=O)(=O)c1ccccc1 ZINC001251116498 968266874 /nfs/dbraw/zinc/26/68/74/968266874.db2.gz OCVBEMWNTLIICN-UHFFFAOYSA-N 1 2 237.284 1.221 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@H](C)n2cc[nH+]c2)c1C ZINC001251586122 968295152 /nfs/dbraw/zinc/29/51/52/968295152.db2.gz NHHCHVDWBSNWBX-VIFPVBQESA-N 1 2 233.275 1.423 20 0 BDADLO CCN(C)c1cc(N[C@H](C)CCO)[nH+]cn1 ZINC001165869258 968296047 /nfs/dbraw/zinc/29/60/47/968296047.db2.gz XYRFLUIFEGEAIH-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CCN(C)c1cc(N[C@H](C)CCO)nc[nH+]1 ZINC001165869258 968296056 /nfs/dbraw/zinc/29/60/56/968296056.db2.gz XYRFLUIFEGEAIH-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC001119309554 968323757 /nfs/dbraw/zinc/32/37/57/968323757.db2.gz YJWVSKLFNXKESG-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC001119309554 968323763 /nfs/dbraw/zinc/32/37/63/968323763.db2.gz YJWVSKLFNXKESG-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO COc1cnccc1C[N@@H+](C)CC(OC)OC ZINC001206480159 968334829 /nfs/dbraw/zinc/33/48/29/968334829.db2.gz MEZGABJHTWKNJB-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO COc1cnccc1C[N@H+](C)CC(OC)OC ZINC001206480159 968334836 /nfs/dbraw/zinc/33/48/36/968334836.db2.gz MEZGABJHTWKNJB-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3cn(C4CC4)cn3)C[C@H]21 ZINC001206514225 968349247 /nfs/dbraw/zinc/34/92/47/968349247.db2.gz NVIYTQOMRNAJOC-PHIMTYICSA-N 1 2 239.269 1.915 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3cn(C4CC4)cn3)C[C@H]21 ZINC001206514225 968349256 /nfs/dbraw/zinc/34/92/56/968349256.db2.gz NVIYTQOMRNAJOC-PHIMTYICSA-N 1 2 239.269 1.915 20 0 BDADLO Cc1c(-c2cnn(CCO)c2)ccc2[nH+]ccn21 ZINC001206595977 968411326 /nfs/dbraw/zinc/41/13/26/968411326.db2.gz NOMRHDGBYRLJMZ-UHFFFAOYSA-N 1 2 242.282 1.499 20 0 BDADLO O[C@@H](CNc1cc[nH+]nc1)c1ccccc1 ZINC001251980147 968419546 /nfs/dbraw/zinc/41/95/46/968419546.db2.gz PHDMSRRVQJHMER-LBPRGKRZSA-N 1 2 215.256 1.622 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1ccccc1 ZINC001251991195 968429223 /nfs/dbraw/zinc/42/92/23/968429223.db2.gz KCUZRNVBTJIARG-JQWIXIFHSA-N 1 2 237.299 1.213 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC001251991195 968429227 /nfs/dbraw/zinc/42/92/27/968429227.db2.gz KCUZRNVBTJIARG-JQWIXIFHSA-N 1 2 237.299 1.213 20 0 BDADLO O[C@@H](C[N@@H+]1CCn2nccc2C1)c1ccccc1 ZINC001251993441 968429237 /nfs/dbraw/zinc/42/92/37/968429237.db2.gz OPIFQKUMGHGAFR-AWEZNQCLSA-N 1 2 243.310 1.432 20 0 BDADLO O[C@@H](C[N@H+]1CCn2nccc2C1)c1ccccc1 ZINC001251993441 968429240 /nfs/dbraw/zinc/42/92/40/968429240.db2.gz OPIFQKUMGHGAFR-AWEZNQCLSA-N 1 2 243.310 1.432 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]32)no1 ZINC001206815739 968485646 /nfs/dbraw/zinc/48/56/46/968485646.db2.gz SBNYYYJGYBWVBW-GHMZBOCLSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H]3OCC[C@H]32)no1 ZINC001206815739 968485649 /nfs/dbraw/zinc/48/56/49/968485649.db2.gz SBNYYYJGYBWVBW-GHMZBOCLSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001206847606 968495595 /nfs/dbraw/zinc/49/55/95/968495595.db2.gz PAMRPAUPTUVJGA-RYUDHWBXSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001206847606 968495600 /nfs/dbraw/zinc/49/56/00/968495600.db2.gz PAMRPAUPTUVJGA-RYUDHWBXSA-N 1 2 238.306 1.542 20 0 BDADLO CCCC[C@@H](O)C[N@H+](C)CC(=O)OCC ZINC001252085196 968510280 /nfs/dbraw/zinc/51/02/80/968510280.db2.gz FJLFCLBCRHKBLB-SNVBAGLBSA-N 1 2 217.309 1.032 20 0 BDADLO CCCC[C@@H](O)C[N@@H+](C)CC(=O)OCC ZINC001252085196 968510287 /nfs/dbraw/zinc/51/02/87/968510287.db2.gz FJLFCLBCRHKBLB-SNVBAGLBSA-N 1 2 217.309 1.032 20 0 BDADLO [NH3+][C@]1(c2nc(-c3ccc(F)cc3)no2)CCOC1 ZINC000085850751 968507515 /nfs/dbraw/zinc/50/75/15/968507515.db2.gz CFXQTVYJYAJKFS-GFCCVEGCSA-N 1 2 249.245 1.450 20 0 BDADLO Cc1[nH]c(CNC(=O)CSC(C)C)[nH+]c1C ZINC000822049478 968507799 /nfs/dbraw/zinc/50/77/99/968507799.db2.gz WZWQQISJTZFAMF-UHFFFAOYSA-N 1 2 241.360 1.784 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cncc(F)c1)C2 ZINC001207016557 968555031 /nfs/dbraw/zinc/55/50/31/968555031.db2.gz BIQUSDVPBUKRAN-UHFFFAOYSA-N 1 2 222.263 1.177 20 0 BDADLO C[C@H]1CC[N@@H+]1Cc1ncc2ccccn21 ZINC001207049116 968576670 /nfs/dbraw/zinc/57/66/70/968576670.db2.gz OSNFOSDENJWJIQ-JTQLQIEISA-N 1 2 201.273 1.929 20 0 BDADLO C[C@H]1CC[N@H+]1Cc1ncc2ccccn21 ZINC001207049116 968576681 /nfs/dbraw/zinc/57/66/81/968576681.db2.gz OSNFOSDENJWJIQ-JTQLQIEISA-N 1 2 201.273 1.929 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207054718 968584787 /nfs/dbraw/zinc/58/47/87/968584787.db2.gz QFXIIXHHGQHOAM-GFCCVEGCSA-N 1 2 243.310 1.745 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207054718 968584797 /nfs/dbraw/zinc/58/47/97/968584797.db2.gz QFXIIXHHGQHOAM-GFCCVEGCSA-N 1 2 243.310 1.745 20 0 BDADLO O=c1cccc(C[N@@H+]2CCCC(=O)CC2)[nH]1 ZINC001207066217 968602372 /nfs/dbraw/zinc/60/23/72/968602372.db2.gz JFAHUDOBYQEAQC-UHFFFAOYSA-N 1 2 220.272 1.342 20 0 BDADLO O=c1cccc(C[N@H+]2CCCC(=O)CC2)[nH]1 ZINC001207066217 968602379 /nfs/dbraw/zinc/60/23/79/968602379.db2.gz JFAHUDOBYQEAQC-UHFFFAOYSA-N 1 2 220.272 1.342 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207075115 968609034 /nfs/dbraw/zinc/60/90/34/968609034.db2.gz WLISGYIVVIEHBR-NSHDSACASA-N 1 2 220.272 1.341 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207075115 968609036 /nfs/dbraw/zinc/60/90/36/968609036.db2.gz WLISGYIVVIEHBR-NSHDSACASA-N 1 2 220.272 1.341 20 0 BDADLO CCc1nccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001207084235 968619911 /nfs/dbraw/zinc/61/99/11/968619911.db2.gz NBDPPPXXCGUMBF-KOLCDFICSA-N 1 2 223.295 1.829 20 0 BDADLO CCc1nccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001207084235 968619914 /nfs/dbraw/zinc/61/99/14/968619914.db2.gz NBDPPPXXCGUMBF-KOLCDFICSA-N 1 2 223.295 1.829 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207090529 968622179 /nfs/dbraw/zinc/62/21/79/968622179.db2.gz JHRZJGXRLSYGAA-VIFPVBQESA-N 1 2 242.269 1.564 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207090529 968622186 /nfs/dbraw/zinc/62/21/86/968622186.db2.gz JHRZJGXRLSYGAA-VIFPVBQESA-N 1 2 242.269 1.564 20 0 BDADLO COc1ccnc([C@@H](C)[NH2+]Cc2cnnn2C)c1 ZINC000824835820 968622530 /nfs/dbraw/zinc/62/25/30/968622530.db2.gz WZHCSBCCUCEFRE-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cc2F)CC[C@@H]1O ZINC001207094285 968625367 /nfs/dbraw/zinc/62/53/67/968625367.db2.gz UBXRAKQRZHXXCI-UFBFGSQYSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cc2F)CC[C@@H]1O ZINC001207094285 968625372 /nfs/dbraw/zinc/62/53/72/968625372.db2.gz UBXRAKQRZHXXCI-UFBFGSQYSA-N 1 2 242.269 1.563 20 0 BDADLO C[N@H+](Cc1ncc(F)cc1F)[C@H]1CCCOC1 ZINC001207101539 968628654 /nfs/dbraw/zinc/62/86/54/968628654.db2.gz LBZGCVLOSFSIPR-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO C[N@@H+](Cc1ncc(F)cc1F)[C@H]1CCCOC1 ZINC001207101539 968628659 /nfs/dbraw/zinc/62/86/59/968628659.db2.gz LBZGCVLOSFSIPR-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CC(C)(O)C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001252357916 968637948 /nfs/dbraw/zinc/63/79/48/968637948.db2.gz OMBOICZZQPFYIK-UHFFFAOYSA-N 1 2 241.722 1.259 20 0 BDADLO CC(C)(O)C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001252357916 968637951 /nfs/dbraw/zinc/63/79/51/968637951.db2.gz OMBOICZZQPFYIK-UHFFFAOYSA-N 1 2 241.722 1.259 20 0 BDADLO Cc1nc2c(o1)CC[N@H+](Cc1cc[nH]c(=O)c1)C2 ZINC001207125536 968642242 /nfs/dbraw/zinc/64/22/42/968642242.db2.gz KUICEHPOLIEUEY-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+](Cc1cc[nH]c(=O)c1)C2 ZINC001207125536 968642249 /nfs/dbraw/zinc/64/22/49/968642249.db2.gz KUICEHPOLIEUEY-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO CCCCOC1C[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC001207122341 968645057 /nfs/dbraw/zinc/64/50/57/968645057.db2.gz KLOFLMXCQKJXHR-UHFFFAOYSA-N 1 2 236.315 1.788 20 0 BDADLO Cc1cc[nH+]c(NC2CC(F)C2)c1C(N)=O ZINC001154832433 968688066 /nfs/dbraw/zinc/68/80/66/968688066.db2.gz APALUJYKXBMUKX-UHFFFAOYSA-N 1 2 223.251 1.401 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)c1cnccn1 ZINC001085446679 968717087 /nfs/dbraw/zinc/71/70/87/968717087.db2.gz JXZTYSDKARNDCG-CMPLNLGQSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1cnccn1 ZINC001085446679 968717090 /nfs/dbraw/zinc/71/70/90/968717090.db2.gz JXZTYSDKARNDCG-CMPLNLGQSA-N 1 2 248.330 1.090 20 0 BDADLO COc1ccccc1CC[NH+]1CCN(C#N)CC1 ZINC001207458225 968778519 /nfs/dbraw/zinc/77/85/19/968778519.db2.gz PZVNYNOHPWDNQH-UHFFFAOYSA-N 1 2 245.326 1.336 20 0 BDADLO COCc1cc[nH+]c(NC[C@H]2CCNC(=O)C2)c1 ZINC001154934329 968782948 /nfs/dbraw/zinc/78/29/48/968782948.db2.gz GZZCHICBSMSTPV-JTQLQIEISA-N 1 2 249.314 1.166 20 0 BDADLO CC1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCF)C1 ZINC001085540793 968787647 /nfs/dbraw/zinc/78/76/47/968787647.db2.gz GTKQCSVKOQPFRO-MCIGGMRASA-N 1 2 242.338 1.535 20 0 BDADLO CC1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCF)C1 ZINC001085540793 968787653 /nfs/dbraw/zinc/78/76/53/968787653.db2.gz GTKQCSVKOQPFRO-MCIGGMRASA-N 1 2 242.338 1.535 20 0 BDADLO OCC1(F)C[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207615958 968838014 /nfs/dbraw/zinc/83/80/14/968838014.db2.gz ONSGATDFOLSIKF-AXFHLTTASA-N 1 2 211.280 1.215 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628013 968841432 /nfs/dbraw/zinc/84/14/32/968841432.db2.gz FGHITTMHEDPYOL-WHOHXGKFSA-N 1 2 243.297 1.901 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628013 968841437 /nfs/dbraw/zinc/84/14/37/968841437.db2.gz FGHITTMHEDPYOL-WHOHXGKFSA-N 1 2 243.297 1.901 20 0 BDADLO CC1(C[N@@H+]2CCOC[C@H]2c2cccnc2)COC1 ZINC001207799948 968889302 /nfs/dbraw/zinc/88/93/02/968889302.db2.gz JHCVAWVIEVNWKJ-ZDUSSCGKSA-N 1 2 248.326 1.491 20 0 BDADLO CC1(C[N@H+]2CCOC[C@H]2c2cccnc2)COC1 ZINC001207799948 968889304 /nfs/dbraw/zinc/88/93/04/968889304.db2.gz JHCVAWVIEVNWKJ-ZDUSSCGKSA-N 1 2 248.326 1.491 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCCO1 ZINC001207846386 968900780 /nfs/dbraw/zinc/90/07/80/968900780.db2.gz CXLARZWHHZHPGT-LPEHRKFASA-N 1 2 205.248 1.547 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCCO1 ZINC001207846386 968900787 /nfs/dbraw/zinc/90/07/87/968900787.db2.gz CXLARZWHHZHPGT-LPEHRKFASA-N 1 2 205.248 1.547 20 0 BDADLO FC1(F)CCN(C2C[NH+](C[C@@H]3CCCO3)C2)C1 ZINC001207861260 968909518 /nfs/dbraw/zinc/90/95/18/968909518.db2.gz PFMNLJGTMKLPMA-NSHDSACASA-N 1 2 246.301 1.191 20 0 BDADLO c1ccc(OC2C[NH+](C[C@@H]3CCCO3)C2)cc1 ZINC001207860785 968910035 /nfs/dbraw/zinc/91/00/35/968910035.db2.gz HJJOENQPRUYRNK-ZDUSSCGKSA-N 1 2 233.311 1.929 20 0 BDADLO COC(=O)c1ncc(-c2cc[nH+]c(N)c2)cc1C ZINC001241161859 968939533 /nfs/dbraw/zinc/93/95/33/968939533.db2.gz ABYANZXOYPRTPO-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1nc2c(o1)CC[N@H+](C[C@H]1CCCCO1)C2 ZINC001207965827 968964398 /nfs/dbraw/zinc/96/43/98/968964398.db2.gz YKPAAUNSQQEPCO-LLVKDONJSA-N 1 2 236.315 1.910 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC001207965827 968964406 /nfs/dbraw/zinc/96/44/06/968964406.db2.gz YKPAAUNSQQEPCO-LLVKDONJSA-N 1 2 236.315 1.910 20 0 BDADLO O[C@@H](C[N@H+]1C[C@H]2C[C@@H](C1)O2)c1ccc(F)cc1 ZINC001252846918 969032203 /nfs/dbraw/zinc/03/22/03/969032203.db2.gz FWRUEIHBIDQEMA-XQQFMLRXSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@@H](C[N@@H+]1C[C@H]2C[C@@H](C1)O2)c1ccc(F)cc1 ZINC001252846918 969032214 /nfs/dbraw/zinc/03/22/14/969032214.db2.gz FWRUEIHBIDQEMA-XQQFMLRXSA-N 1 2 237.274 1.332 20 0 BDADLO CS[C@H](C)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001208140949 969061898 /nfs/dbraw/zinc/06/18/98/969061898.db2.gz WYOVEVFKKYVIOB-BDAKNGLRSA-N 1 2 239.331 1.830 20 0 BDADLO CS[C@H](C)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC001208140949 969061908 /nfs/dbraw/zinc/06/19/08/969061908.db2.gz WYOVEVFKKYVIOB-BDAKNGLRSA-N 1 2 239.331 1.830 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@H]1C=CS(=O)(=O)C1 ZINC001156063581 969174949 /nfs/dbraw/zinc/17/49/49/969174949.db2.gz YTUNYFHYVVLIFZ-QMMMGPOBSA-N 1 2 242.275 1.252 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccncc2)c2ncnn21 ZINC001329548540 969176017 /nfs/dbraw/zinc/17/60/17/969176017.db2.gz MQWKVMRRFNSKEF-GXSJLCMTSA-N 1 2 229.287 1.469 20 0 BDADLO CC(C)OC1C[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC001253459146 969182081 /nfs/dbraw/zinc/18/20/81/969182081.db2.gz JBXBDBXATQNJOP-NSHDSACASA-N 1 2 245.363 1.272 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001253506674 969194998 /nfs/dbraw/zinc/19/49/98/969194998.db2.gz ASVCNHMFHIEPMU-WDEREUQCSA-N 1 2 223.320 1.995 20 0 BDADLO COC(=O)c1cccnc1-c1c[nH+]c(N)cc1C ZINC001242070684 969196633 /nfs/dbraw/zinc/19/66/33/969196633.db2.gz JBOMVQXPXHAFSR-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO CCCCC[C@H](O)C[NH+]1CC(N2CCCC2)C1 ZINC001253533919 969208812 /nfs/dbraw/zinc/20/88/12/969208812.db2.gz XOITVVUUIBTJFZ-AWEZNQCLSA-N 1 2 240.391 1.708 20 0 BDADLO CC[C@H](CCC(=O)OC)C[N@@H+]1CCC(=O)C1 ZINC001208797660 969245589 /nfs/dbraw/zinc/24/55/89/969245589.db2.gz OUPHXSVYHYNSCO-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO CC[C@H](CCC(=O)OC)C[N@H+]1CCC(=O)C1 ZINC001208797660 969245596 /nfs/dbraw/zinc/24/55/96/969245596.db2.gz OUPHXSVYHYNSCO-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO Cc1c[nH+]cc(NCCn2cnnc2)c1C ZINC001168874916 969254977 /nfs/dbraw/zinc/25/49/77/969254977.db2.gz KKIWZBMUWRLTEQ-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@@H]1CCC=CO1 ZINC001208874500 969259715 /nfs/dbraw/zinc/25/97/15/969259715.db2.gz VFCMHMZDRIQXSK-NSHDSACASA-N 1 2 219.288 1.601 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@@H]1CCC=CO1 ZINC001208874500 969259721 /nfs/dbraw/zinc/25/97/21/969259721.db2.gz VFCMHMZDRIQXSK-NSHDSACASA-N 1 2 219.288 1.601 20 0 BDADLO C[NH+]1CC2(C1)CCCN(Cc1ncccc1O)C2 ZINC001276591569 969262172 /nfs/dbraw/zinc/26/21/72/969262172.db2.gz QPDDJKDYWCRYAP-UHFFFAOYSA-N 1 2 247.342 1.315 20 0 BDADLO CC1(C)OCC(Nc2ccn3cc[nH+]c3c2)CO1 ZINC001168905275 969264846 /nfs/dbraw/zinc/26/48/46/969264846.db2.gz YBCPXKDASDCFTL-UHFFFAOYSA-N 1 2 247.298 1.898 20 0 BDADLO COCc1noc([C@H](C)n2cc[nH+]c2)n1 ZINC000349815959 969322051 /nfs/dbraw/zinc/32/20/51/969322051.db2.gz HCRPZULKXPFIHM-ZETCQYMHSA-N 1 2 208.221 1.022 20 0 BDADLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCC[C@@H](F)C1 ZINC001253682806 969330317 /nfs/dbraw/zinc/33/03/17/969330317.db2.gz VITJUAOBOGBLGP-ZJUUUORDSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCC[C@@H](F)C1 ZINC001253682806 969330319 /nfs/dbraw/zinc/33/03/19/969330319.db2.gz VITJUAOBOGBLGP-ZJUUUORDSA-N 1 2 247.310 1.123 20 0 BDADLO COCCC[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001209050602 969338574 /nfs/dbraw/zinc/33/85/74/969338574.db2.gz UKVHWLJRLDXDLX-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO COCCC[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001209050602 969338580 /nfs/dbraw/zinc/33/85/80/969338580.db2.gz UKVHWLJRLDXDLX-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC(C)c1nc(C[NH2+]C[C@H](O)C(C)C)no1 ZINC001253777831 969399764 /nfs/dbraw/zinc/39/97/64/969399764.db2.gz SVOCMZQLDTYLST-VIFPVBQESA-N 1 2 227.308 1.300 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](O)C(C)C)C(=O)OC(C)(C)C ZINC001253781521 969401811 /nfs/dbraw/zinc/40/18/11/969401811.db2.gz ADDFEBBOQMTVHH-WDEREUQCSA-N 1 2 245.363 1.713 20 0 BDADLO COCCN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001209215517 969401984 /nfs/dbraw/zinc/40/19/84/969401984.db2.gz OGNKNNPOFFVRNT-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO F[C@@H]1C[NH+](CCCC2OCCO2)C[C@H]1F ZINC001209304435 969429511 /nfs/dbraw/zinc/42/95/11/969429511.db2.gz RJXPORWZSLUWBH-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO Cc1cn(C)nc1C[NH2+]Cc1ccco1 ZINC000723509583 969432203 /nfs/dbraw/zinc/43/22/03/969432203.db2.gz GUUQVSDENXFUOC-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO CCCc1nnc([C@@H](C)n2cc[nH+]c2)o1 ZINC001253963204 969433516 /nfs/dbraw/zinc/43/35/16/969433516.db2.gz QVSSUXXTGIPLBV-MRVPVSSYSA-N 1 2 206.249 1.828 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)ccc2C)C[NH2+]1 ZINC001169128606 969439439 /nfs/dbraw/zinc/43/94/39/969439439.db2.gz DPLABTJLODTBJH-MNOVXSKESA-N 1 2 249.314 1.014 20 0 BDADLO C[N@H+](Cc1cc2c(cn1)OCCC2)C1(C)COC1 ZINC001209508310 969530248 /nfs/dbraw/zinc/53/02/48/969530248.db2.gz JZQMJCSBOMQLTG-UHFFFAOYSA-N 1 2 248.326 1.627 20 0 BDADLO C[N@@H+](Cc1cc2c(cn1)OCCC2)C1(C)COC1 ZINC001209508310 969530254 /nfs/dbraw/zinc/53/02/54/969530254.db2.gz JZQMJCSBOMQLTG-UHFFFAOYSA-N 1 2 248.326 1.627 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001209554479 969536481 /nfs/dbraw/zinc/53/64/81/969536481.db2.gz IJIRGORDUMCDDF-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001209554479 969536487 /nfs/dbraw/zinc/53/64/87/969536487.db2.gz IJIRGORDUMCDDF-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC001209552537 969539181 /nfs/dbraw/zinc/53/91/81/969539181.db2.gz KNIILPUSUZRAGO-JTQLQIEISA-N 1 2 210.302 1.697 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC001209552537 969539186 /nfs/dbraw/zinc/53/91/86/969539186.db2.gz KNIILPUSUZRAGO-JTQLQIEISA-N 1 2 210.302 1.697 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001209557468 969541336 /nfs/dbraw/zinc/54/13/36/969541336.db2.gz VUOJKIXPZDIORA-GGZOMVNGSA-N 1 2 221.304 1.185 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001209557468 969541340 /nfs/dbraw/zinc/54/13/40/969541340.db2.gz VUOJKIXPZDIORA-GGZOMVNGSA-N 1 2 221.304 1.185 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001209557100 969542349 /nfs/dbraw/zinc/54/23/49/969542349.db2.gz MSPSFKOZRTZKNB-LSJOCFKGSA-N 1 2 209.268 1.650 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001209557100 969542354 /nfs/dbraw/zinc/54/23/54/969542354.db2.gz MSPSFKOZRTZKNB-LSJOCFKGSA-N 1 2 209.268 1.650 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)no1 ZINC001209569010 969551909 /nfs/dbraw/zinc/55/19/09/969551909.db2.gz BQLGDKYGKLYCKB-NSHDSACASA-N 1 2 246.270 1.118 20 0 BDADLO c1cc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)no1 ZINC001209569010 969551912 /nfs/dbraw/zinc/55/19/12/969551912.db2.gz BQLGDKYGKLYCKB-NSHDSACASA-N 1 2 246.270 1.118 20 0 BDADLO COC(=O)C[N@H+](C)Cc1c(C)[nH]c2ncccc21 ZINC001209593512 969564391 /nfs/dbraw/zinc/56/43/91/969564391.db2.gz UOPPFMXMPMIUGI-UHFFFAOYSA-N 1 2 247.298 1.476 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1c(C)[nH]c2ncccc21 ZINC001209593512 969564396 /nfs/dbraw/zinc/56/43/96/969564396.db2.gz UOPPFMXMPMIUGI-UHFFFAOYSA-N 1 2 247.298 1.476 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c2cccnc21 ZINC001209750435 969603786 /nfs/dbraw/zinc/60/37/86/969603786.db2.gz IRDUQGPPHLMCGF-QWHCGFSZSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c2cccnc21 ZINC001209750435 969603792 /nfs/dbraw/zinc/60/37/92/969603792.db2.gz IRDUQGPPHLMCGF-QWHCGFSZSA-N 1 2 243.310 1.546 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccccc1N(C)C ZINC001209778947 969608997 /nfs/dbraw/zinc/60/89/97/969608997.db2.gz PCSAWFKRDFASMU-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccccc1N(C)C ZINC001209778947 969609003 /nfs/dbraw/zinc/60/90/03/969609003.db2.gz PCSAWFKRDFASMU-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO COc1ccc(CNc2cc[nH+]cc2F)nn1 ZINC001169467948 969669165 /nfs/dbraw/zinc/66/91/65/969669165.db2.gz RWBGGTYIBRPRJG-UHFFFAOYSA-N 1 2 234.234 1.053 20 0 BDADLO CCN=c1ccc(N)cn1-c1c[nH+]c(N)cc1C ZINC001209967071 969728577 /nfs/dbraw/zinc/72/85/77/969728577.db2.gz MTPPIOFXWYXICI-UHFFFAOYSA-N 1 2 243.314 1.266 20 0 BDADLO Cc1cc([NH2+][C@H]2CCC(=O)N(C)C2)ccc1N ZINC000084062485 969768656 /nfs/dbraw/zinc/76/86/56/969768656.db2.gz QYJXGWWQRVVFPD-NSHDSACASA-N 1 2 233.315 1.610 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001169602332 969779145 /nfs/dbraw/zinc/77/91/45/969779145.db2.gz GGGWAOZYSBMEOC-TUAOUCFPSA-N 1 2 246.301 1.379 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001169602332 969779153 /nfs/dbraw/zinc/77/91/53/969779153.db2.gz GGGWAOZYSBMEOC-TUAOUCFPSA-N 1 2 246.301 1.379 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CC3CCN(CC3)C2)nc1 ZINC001254832201 969794330 /nfs/dbraw/zinc/79/43/30/969794330.db2.gz CRRQAJDPEMGPST-CYBMUJFWSA-N 1 2 246.358 1.359 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1nccc2cc[nH]c21 ZINC001169655502 969799759 /nfs/dbraw/zinc/79/97/59/969799759.db2.gz HBCWDHRHRXFKHR-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1nccc2cc[nH]c21 ZINC001169655502 969799767 /nfs/dbraw/zinc/79/97/67/969799767.db2.gz HBCWDHRHRXFKHR-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO C[C@H](c1nc(-c2nccn2C)no1)n1cc[nH+]c1 ZINC001254841100 969802293 /nfs/dbraw/zinc/80/22/93/969802293.db2.gz DVWOQXZUZMLUAQ-MRVPVSSYSA-N 1 2 244.258 1.276 20 0 BDADLO Cc1nnc(SCCn2cc[nH+]c2)o1 ZINC001254867924 969813563 /nfs/dbraw/zinc/81/35/63/969813563.db2.gz AEHXQFCYGJHXRP-UHFFFAOYSA-N 1 2 210.262 1.367 20 0 BDADLO CO[C@@H](C)CNc1ccn2cc(N)[nH+]c2c1 ZINC001169775563 969840201 /nfs/dbraw/zinc/84/02/01/969840201.db2.gz MZQORKKUUMIIMQ-QMMMGPOBSA-N 1 2 220.276 1.363 20 0 BDADLO Cc1[nH+]cc(Nc2ncccc2CO)cc1N ZINC001210287359 969853169 /nfs/dbraw/zinc/85/31/69/969853169.db2.gz RTMJZOKJUAUIRA-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cc1[nH+]cc(Nc2ncccc2O)cc1N ZINC001210287567 969853233 /nfs/dbraw/zinc/85/32/33/969853233.db2.gz XGNLJBBOTBMEHB-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO Cc1cnn(C)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210287475 969854552 /nfs/dbraw/zinc/85/45/52/969854552.db2.gz VCZFXKYWZNEDAN-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1[nH+]cc(Nc2cccc(C(N)=O)c2)cc1N ZINC001210288324 969856677 /nfs/dbraw/zinc/85/66/77/969856677.db2.gz MCZYYKNRDLKVHF-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO C/C(=C\C=C\N)[NH2+][C@@H]1c2ccccc2CNC1=O ZINC001169885287 969873382 /nfs/dbraw/zinc/87/33/82/969873382.db2.gz OTMCTWVGATUVSV-LBTDVVPUSA-N 1 2 243.310 1.323 20 0 BDADLO O=c1cc(C[N@@H+]2Cc3cccnc3C2)cc[nH]1 ZINC001169855040 969873783 /nfs/dbraw/zinc/87/37/83/969873783.db2.gz UUXMMGVROSUEHQ-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO O=c1cc(C[N@H+]2Cc3cccnc3C2)cc[nH]1 ZINC001169855040 969873788 /nfs/dbraw/zinc/87/37/88/969873788.db2.gz UUXMMGVROSUEHQ-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO C[C@@H](CCO)Nc1ccc(Cl)c(N)[nH+]1 ZINC001156456102 969896919 /nfs/dbraw/zinc/89/69/19/969896919.db2.gz WMYPSGJFFTZYKO-LURJTMIESA-N 1 2 215.684 1.500 20 0 BDADLO CC(C)c1ccc(N[C@H]2CCN(C)C2=O)[nH+]c1 ZINC001156507253 969907495 /nfs/dbraw/zinc/90/74/95/969907495.db2.gz NCAKMOYQBOSNLS-NSHDSACASA-N 1 2 233.315 1.848 20 0 BDADLO CNC(=O)[C@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC001169985044 969937208 /nfs/dbraw/zinc/93/72/08/969937208.db2.gz DGCJPSUCYHHKPL-JTQLQIEISA-N 1 2 235.331 1.607 20 0 BDADLO CCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109746088 970019812 /nfs/dbraw/zinc/01/98/12/970019812.db2.gz LRMRYDBVDGJBTL-NSHDSACASA-N 1 2 248.330 1.502 20 0 BDADLO COc1cc(Nc2cnccn2)cc(C)[nH+]1 ZINC001210776623 970027476 /nfs/dbraw/zinc/02/74/76/970027476.db2.gz RHXHBDHQZNCWNG-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO O=C1C[N@H+]([C@@H]2CCSC2)CCC[C@@H]1F ZINC001255281982 970036593 /nfs/dbraw/zinc/03/65/93/970036593.db2.gz IUEOUEWWOPMVIF-BDAKNGLRSA-N 1 2 217.309 1.495 20 0 BDADLO O=C1C[N@@H+]([C@@H]2CCSC2)CCC[C@@H]1F ZINC001255281982 970036594 /nfs/dbraw/zinc/03/65/94/970036594.db2.gz IUEOUEWWOPMVIF-BDAKNGLRSA-N 1 2 217.309 1.495 20 0 BDADLO CC(C)(C)CCN1CC[NH2+]CC(F)(F)C1 ZINC001210815554 970049735 /nfs/dbraw/zinc/04/97/35/970049735.db2.gz VQYGVRCWHHPBKA-UHFFFAOYSA-N 1 2 220.307 1.963 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+]C1CCC(C)(C)CC1 ZINC001255297466 970062852 /nfs/dbraw/zinc/06/28/52/970062852.db2.gz OPNVCQJQQIBUSP-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H](C)CCCC(C)C ZINC001170057840 970103155 /nfs/dbraw/zinc/10/31/55/970103155.db2.gz OIFRCYNONPCLRG-RYUDHWBXSA-N 1 2 245.363 1.715 20 0 BDADLO C[N@@H+]1CC[C@H](NC(C)(C)c2ccccn2)C1 ZINC001255424522 970149436 /nfs/dbraw/zinc/14/94/36/970149436.db2.gz XMFQQCAUVFKKKZ-NSHDSACASA-N 1 2 219.332 1.610 20 0 BDADLO C[N@H+]1CC[C@H](NC(C)(C)c2ccccn2)C1 ZINC001255424522 970149444 /nfs/dbraw/zinc/14/94/44/970149444.db2.gz XMFQQCAUVFKKKZ-NSHDSACASA-N 1 2 219.332 1.610 20 0 BDADLO Cc1cccn2cc(C[NH+]3CC(CO)C3)nc12 ZINC000091467643 970235062 /nfs/dbraw/zinc/23/50/62/970235062.db2.gz FBFKEQUREZHYJI-UHFFFAOYSA-N 1 2 231.299 1.067 20 0 BDADLO C1C[C@@H](c2nnc([C@H]3CC4CC[NH+]3CC4)o2)CO1 ZINC001255496630 970258600 /nfs/dbraw/zinc/25/86/00/970258600.db2.gz VABLBQATQGNECY-GHMZBOCLSA-N 1 2 249.314 1.730 20 0 BDADLO Cn1c[nH+]cc1-c1cccc([C@@H]2CNC(=O)C2)c1 ZINC001243068836 970264359 /nfs/dbraw/zinc/26/43/59/970264359.db2.gz HWYUZURTLHAWCA-LBPRGKRZSA-N 1 2 241.294 1.691 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1nc(C)ncc1C ZINC001157459786 970329649 /nfs/dbraw/zinc/32/96/49/970329649.db2.gz IMOJQUPYZBZVAV-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO Cc1cc(Nc2c[nH+]cc(C)c2C)n(CCO)n1 ZINC001213523142 970346347 /nfs/dbraw/zinc/34/63/47/970346347.db2.gz LWTJOIAYQBNLAM-UHFFFAOYSA-N 1 2 246.314 1.939 20 0 BDADLO CCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113469437 970444601 /nfs/dbraw/zinc/44/46/01/970444601.db2.gz MTCNZWWEBKBUMG-VIFPVBQESA-N 1 2 236.319 1.136 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC001170169529 970544499 /nfs/dbraw/zinc/54/44/99/970544499.db2.gz DQWIGOPKMKSAMA-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO CNc1cc(N2CC[C@H](C3CC3)C2)nc[nH+]1 ZINC000400180668 970558240 /nfs/dbraw/zinc/55/82/40/970558240.db2.gz VFTYTCFTOQAKEY-JTQLQIEISA-N 1 2 218.304 1.755 20 0 BDADLO CNc1cc(N2CC[C@H](C3CC3)C2)[nH+]cn1 ZINC000400180668 970558248 /nfs/dbraw/zinc/55/82/48/970558248.db2.gz VFTYTCFTOQAKEY-JTQLQIEISA-N 1 2 218.304 1.755 20 0 BDADLO CS(=O)(=O)C1C[NH+](C2CCCCCC2)C1 ZINC001255892923 970558093 /nfs/dbraw/zinc/55/80/93/970558093.db2.gz ZDYHVHXUIWNETJ-UHFFFAOYSA-N 1 2 231.361 1.438 20 0 BDADLO CC[C@@H]1C[C@@H]([NH+]2CC(C)(F)C2)CCO1 ZINC001170205511 970575381 /nfs/dbraw/zinc/57/53/81/970575381.db2.gz AMGMKDNXGRMGRI-VHSXEESVSA-N 1 2 201.285 1.988 20 0 BDADLO CCCCCc1nnc(C[N@@H+]2CC[C@@H](O)C2)o1 ZINC001256113610 970661981 /nfs/dbraw/zinc/66/19/81/970661981.db2.gz ZHRWXDWFMWACCU-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCCc1nnc(C[N@H+]2CC[C@@H](O)C2)o1 ZINC001256113610 970661987 /nfs/dbraw/zinc/66/19/87/970661987.db2.gz ZHRWXDWFMWACCU-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCOC(=O)N1CCC([NH2+][C@@H]2CC2(F)F)CC1 ZINC001256231230 970718944 /nfs/dbraw/zinc/71/89/44/970718944.db2.gz PCVXJLVFSABLQB-SECBINFHSA-N 1 2 248.273 1.605 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC ZINC000401849547 970737219 /nfs/dbraw/zinc/73/72/19/970737219.db2.gz VZMJXNGFHDVDNP-NAKRPEOUSA-N 1 2 229.320 1.341 20 0 BDADLO CC(C)CC[C@@H](C)[NH2+]Cc1noc(C(N)=O)n1 ZINC001256355642 970755220 /nfs/dbraw/zinc/75/52/20/970755220.db2.gz ZXNXTQDIJKRFJC-MRVPVSSYSA-N 1 2 240.307 1.083 20 0 BDADLO CNC(=O)c1ccc(/C(C)=C/C=C/[NH3+])c(OC)c1 ZINC001222510997 972534320 /nfs/dbraw/zinc/53/43/20/972534320.db2.gz YJLMWMWNHCAMAA-DXNUHORPSA-N 1 2 246.310 1.931 20 0 BDADLO COc1cc(C(N)=O)ccc1/C(C)=C/C=C/[NH3+] ZINC001222564859 972573777 /nfs/dbraw/zinc/57/37/77/972573777.db2.gz UNFXHXDPSPCUMQ-DDEWIXKASA-N 1 2 232.283 1.670 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001144116762 972585231 /nfs/dbraw/zinc/58/52/31/972585231.db2.gz BXVDERPLCYYBPX-OKILXGFUSA-N 1 2 246.354 1.979 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001144116762 972585244 /nfs/dbraw/zinc/58/52/44/972585244.db2.gz BXVDERPLCYYBPX-OKILXGFUSA-N 1 2 246.354 1.979 20 0 BDADLO CCOC1C[NH+](Cc2cccc(O)c2C)C1 ZINC001144107311 972599132 /nfs/dbraw/zinc/59/91/32/972599132.db2.gz JYAVGYBOOMKVIO-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1CC(F)(F)C1(F)F ZINC001222599450 972599269 /nfs/dbraw/zinc/59/92/69/972599269.db2.gz BHXOXIZRGQZXST-ZETCQYMHSA-N 1 2 238.184 1.980 20 0 BDADLO CC[C@@H](CC(=O)OC)OCc1c[nH+]cn1C ZINC001222595295 972599294 /nfs/dbraw/zinc/59/92/94/972599294.db2.gz WBMBYKXRXQGIPX-JTQLQIEISA-N 1 2 226.276 1.278 20 0 BDADLO c1nnc(C[N@@H+](CC2CC2)C2CCC2)[nH]1 ZINC001327526433 972614074 /nfs/dbraw/zinc/61/40/74/972614074.db2.gz UEMHRJJRVPBDHB-UHFFFAOYSA-N 1 2 206.293 1.569 20 0 BDADLO c1nnc(C[N@H+](CC2CC2)C2CCC2)[nH]1 ZINC001327526433 972614089 /nfs/dbraw/zinc/61/40/89/972614089.db2.gz UEMHRJJRVPBDHB-UHFFFAOYSA-N 1 2 206.293 1.569 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)[nH]1 ZINC001327534222 972618426 /nfs/dbraw/zinc/61/84/26/972618426.db2.gz CRWSKSFRQLKKBF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO C[C@@H](C(=O)N1CC(C2CC2)C1)n1cc[nH+]c1 ZINC001327625044 972674793 /nfs/dbraw/zinc/67/47/93/972674793.db2.gz LYOOVSHKCKIIND-VIFPVBQESA-N 1 2 219.288 1.313 20 0 BDADLO CCN(Cc1ccc2cc[nH]c2n1)C1C[NH+](C)C1 ZINC001144187403 972677821 /nfs/dbraw/zinc/67/78/21/972677821.db2.gz GPMKZNRMQVHQHI-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO Oc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC001144263216 972735788 /nfs/dbraw/zinc/73/57/88/972735788.db2.gz OVPPSEBXIRFVFG-CYBMUJFWSA-N 1 2 234.299 1.398 20 0 BDADLO Oc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)nc1 ZINC001144263216 972735798 /nfs/dbraw/zinc/73/57/98/972735798.db2.gz OVPPSEBXIRFVFG-CYBMUJFWSA-N 1 2 234.299 1.398 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC001327866130 972767253 /nfs/dbraw/zinc/76/72/53/972767253.db2.gz QUISRLYORVOBGQ-HLTSFMKQSA-N 1 2 223.276 1.166 20 0 BDADLO COCC1C[NH+](Cc2cnc(OC)c(F)c2)C1 ZINC001144450666 972826024 /nfs/dbraw/zinc/82/60/24/972826024.db2.gz BENMAISEOLSDOB-UHFFFAOYSA-N 1 2 240.278 1.308 20 0 BDADLO COCC1C[NH+](Cc2ncn3ccccc23)C1 ZINC001144611868 972889353 /nfs/dbraw/zinc/88/93/53/972889353.db2.gz VEYCMRPQTONSQH-UHFFFAOYSA-N 1 2 231.299 1.413 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ncn2ccccc12 ZINC001144630682 972901316 /nfs/dbraw/zinc/90/13/16/972901316.db2.gz PUMRAAQFIDQIRC-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ncn2ccccc12 ZINC001144630682 972901326 /nfs/dbraw/zinc/90/13/26/972901326.db2.gz PUMRAAQFIDQIRC-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246583782 972959486 /nfs/dbraw/zinc/95/94/86/972959486.db2.gz RYQHRIUMVFVIPD-RQJHMYQMSA-N 1 2 246.223 1.996 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246583782 972959498 /nfs/dbraw/zinc/95/94/98/972959498.db2.gz RYQHRIUMVFVIPD-RQJHMYQMSA-N 1 2 246.223 1.996 20 0 BDADLO CCOC(=O)c1cccc(COC2C[NH+](C)C2)c1 ZINC001223280363 972921734 /nfs/dbraw/zinc/92/17/34/972921734.db2.gz DSCFXGBDTJOJRH-UHFFFAOYSA-N 1 2 249.310 1.694 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144667129 972923981 /nfs/dbraw/zinc/92/39/81/972923981.db2.gz UJCRTNRMYLSJGW-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144667129 972924001 /nfs/dbraw/zinc/92/40/01/972924001.db2.gz UJCRTNRMYLSJGW-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246583779 972963700 /nfs/dbraw/zinc/96/37/00/972963700.db2.gz RYQHRIUMVFVIPD-RNFRBKRXSA-N 1 2 246.223 1.996 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246583779 972963709 /nfs/dbraw/zinc/96/37/09/972963709.db2.gz RYQHRIUMVFVIPD-RNFRBKRXSA-N 1 2 246.223 1.996 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCCC[C@H]21 ZINC001144971565 973056309 /nfs/dbraw/zinc/05/63/09/973056309.db2.gz XFDNAZDILHZCMH-ZYHUDNBSSA-N 1 2 233.315 1.662 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@@H]2CCCCO2)o1 ZINC001328433792 973058798 /nfs/dbraw/zinc/05/87/98/973058798.db2.gz PJDNRDODCKTNDL-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001328438626 973059455 /nfs/dbraw/zinc/05/94/55/973059455.db2.gz LDLURCHXSKECIU-VIFPVBQESA-N 1 2 233.275 1.125 20 0 BDADLO Cc1nc(COC2C[NH+](C)C2)nc2ccccc12 ZINC001223451135 973081693 /nfs/dbraw/zinc/08/16/93/973081693.db2.gz AAXKIIZXGZCLAM-UHFFFAOYSA-N 1 2 243.310 1.769 20 0 BDADLO Cc1oncc1C[S@](=O)Cc1c[nH+]cn1C ZINC001328488457 973091674 /nfs/dbraw/zinc/09/16/74/973091674.db2.gz WFIKKDTVIPAPKS-INIZCTEOSA-N 1 2 239.300 1.165 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)no1 ZINC001328613981 973197633 /nfs/dbraw/zinc/19/76/33/973197633.db2.gz XPALDQVRKJXNNG-SCZZXKLOSA-N 1 2 239.319 1.986 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C/C2CC2)nc[nH+]1 ZINC001328641024 973218040 /nfs/dbraw/zinc/21/80/40/973218040.db2.gz GPTCZIWBVSUJQH-PBKGFPTLSA-N 1 2 248.330 1.647 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C/C2CC2)[nH+]cn1 ZINC001328641024 973218053 /nfs/dbraw/zinc/21/80/53/973218053.db2.gz GPTCZIWBVSUJQH-PBKGFPTLSA-N 1 2 248.330 1.647 20 0 BDADLO COC(=O)c1cccc([C@@H](C)OC2C[NH+](C)C2)c1 ZINC001223789137 973277187 /nfs/dbraw/zinc/27/71/87/973277187.db2.gz NANRTTKJZAFJRU-SNVBAGLBSA-N 1 2 249.310 1.865 20 0 BDADLO O=C(CCC(F)F)N[C@H]1CCn2c[nH+]cc21 ZINC001328726987 973315646 /nfs/dbraw/zinc/31/56/46/973315646.db2.gz UFRFUWQGOYWPIC-ZETCQYMHSA-N 1 2 229.230 1.489 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)c1ccco1 ZINC001147107091 973438296 /nfs/dbraw/zinc/43/82/96/973438296.db2.gz OVKNEQJPEHZCIP-UHFFFAOYSA-N 1 2 232.239 1.483 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)CC(C)(C)O)n1cc[nH+]c1 ZINC001329286279 973643308 /nfs/dbraw/zinc/64/33/08/973643308.db2.gz AMXNUQIZKGRFFF-VHSXEESVSA-N 1 2 239.319 1.110 20 0 BDADLO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccnn1C ZINC001329307071 973657557 /nfs/dbraw/zinc/65/75/57/973657557.db2.gz NIFHILRZLMASNK-UWVGGRQHSA-N 1 2 231.303 1.412 20 0 BDADLO C[NH+](C)Cc1nnc(C23CCC(CC2)C3)o1 ZINC001329323936 973677790 /nfs/dbraw/zinc/67/77/90/973677790.db2.gz NTKLPQMSXOHRDE-UHFFFAOYSA-N 1 2 221.304 1.963 20 0 BDADLO C[C@H](Cc1nnc(C[NH+](C)C)o1)c1cnn(C)c1 ZINC001329324158 973678112 /nfs/dbraw/zinc/67/81/12/973678112.db2.gz PWGVJALDUYULMK-SECBINFHSA-N 1 2 249.318 1.211 20 0 BDADLO CC[C@@H](COC)NC(=O)c1cccc2[nH+]ccn21 ZINC001147752633 973755246 /nfs/dbraw/zinc/75/52/46/973755246.db2.gz RTHHABZOAKQDPU-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO CC(=O)CN(C(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001329516280 973797022 /nfs/dbraw/zinc/79/70/22/973797022.db2.gz JPPZJDCXGOWBRD-NSHDSACASA-N 1 2 237.303 1.270 20 0 BDADLO CC(C)Oc1ccc(C(=O)NC2C[NH+](C)C2)cc1 ZINC001148401268 973836879 /nfs/dbraw/zinc/83/68/79/973836879.db2.gz FPYWWONKZYHYDU-UHFFFAOYSA-N 1 2 248.326 1.518 20 0 BDADLO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)OC(C)C ZINC001329597587 973846182 /nfs/dbraw/zinc/84/61/82/973846182.db2.gz SPMGVYUIRRDMOV-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H]1CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000585414918 973914545 /nfs/dbraw/zinc/91/45/45/973914545.db2.gz CNBZAICAQYQILG-SNVBAGLBSA-N 1 2 220.320 1.779 20 0 BDADLO C[C@@H]1CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000585414918 973914557 /nfs/dbraw/zinc/91/45/57/973914557.db2.gz CNBZAICAQYQILG-SNVBAGLBSA-N 1 2 220.320 1.779 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nonc3C)C2)c1 ZINC000585639854 973917048 /nfs/dbraw/zinc/91/70/48/973917048.db2.gz OGDWOYBPOWISMN-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nonc3C)C2)c1 ZINC000585639854 973917063 /nfs/dbraw/zinc/91/70/63/973917063.db2.gz OGDWOYBPOWISMN-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO O=C1C[N@H+]([C@@H]2CCc3c(F)cccc3C2)CCN1 ZINC001171419635 974034754 /nfs/dbraw/zinc/03/47/54/974034754.db2.gz SJJHMMOIDZTMCC-LLVKDONJSA-N 1 2 248.301 1.115 20 0 BDADLO O=C1C[N@@H+]([C@@H]2CCc3c(F)cccc3C2)CCN1 ZINC001171419635 974034767 /nfs/dbraw/zinc/03/47/67/974034767.db2.gz SJJHMMOIDZTMCC-LLVKDONJSA-N 1 2 248.301 1.115 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@@H+]1CCC2(COC2)C1 ZINC001329925575 974035157 /nfs/dbraw/zinc/03/51/57/974035157.db2.gz KEGWXESOZDXFHM-UHFFFAOYSA-N 1 2 235.287 1.169 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@H+]1CCC2(COC2)C1 ZINC001329925575 974035171 /nfs/dbraw/zinc/03/51/71/974035171.db2.gz KEGWXESOZDXFHM-UHFFFAOYSA-N 1 2 235.287 1.169 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C(C)(C)O)n1cc[nH+]c1 ZINC001329975482 974064399 /nfs/dbraw/zinc/06/43/99/974064399.db2.gz ZPTRUGSBSRZDOQ-VIFPVBQESA-N 1 2 239.319 1.110 20 0 BDADLO CCc1ccnc(Nc2nccnc2C[NH3+])n1 ZINC001171441464 974067230 /nfs/dbraw/zinc/06/72/30/974067230.db2.gz RTRJMWHUZZURBN-UHFFFAOYSA-N 1 2 230.275 1.031 20 0 BDADLO CCOC(=[NH2+])CCCCOC1CC(=O)C1 ZINC001224965540 974106922 /nfs/dbraw/zinc/10/69/22/974106922.db2.gz KNGZFOBJONAGTI-UHFFFAOYSA-N 1 2 213.277 1.919 20 0 BDADLO C[C@@H](COC1C[NH+](C)C1)NC(=O)OC(C)(C)C ZINC001225163351 974201514 /nfs/dbraw/zinc/20/15/14/974201514.db2.gz ZSDSBTKQUULXEW-VIFPVBQESA-N 1 2 244.335 1.230 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171807250 974202993 /nfs/dbraw/zinc/20/29/93/974202993.db2.gz SQVNBCBYKSQSML-MWLCHTKSSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171807250 974203000 /nfs/dbraw/zinc/20/30/00/974203000.db2.gz SQVNBCBYKSQSML-MWLCHTKSSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@H](COC1C[NH+](C)C1)NC(=O)OC(C)(C)C ZINC001225163350 974203184 /nfs/dbraw/zinc/20/31/84/974203184.db2.gz ZSDSBTKQUULXEW-SECBINFHSA-N 1 2 244.335 1.230 20 0 BDADLO COCC(C)(C)N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001330459873 974271045 /nfs/dbraw/zinc/27/10/45/974271045.db2.gz QGRDTSDTXBJCLV-SNVBAGLBSA-N 1 2 239.319 1.328 20 0 BDADLO CSC[C@H]1CCC[N@@H+]1Cc1nnc[nH]1 ZINC001330546438 974304524 /nfs/dbraw/zinc/30/45/24/974304524.db2.gz GOQCHPPKUOQRSY-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO CSC[C@H]1CCC[N@H+]1Cc1nnc[nH]1 ZINC001330546438 974304534 /nfs/dbraw/zinc/30/45/34/974304534.db2.gz GOQCHPPKUOQRSY-MRVPVSSYSA-N 1 2 212.322 1.132 20 0 BDADLO COc1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001225254462 974311034 /nfs/dbraw/zinc/31/10/34/974311034.db2.gz JEDMVWIJDCZIKJ-CYBMUJFWSA-N 1 2 237.299 1.405 20 0 BDADLO COc1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001225254462 974311041 /nfs/dbraw/zinc/31/10/41/974311041.db2.gz JEDMVWIJDCZIKJ-CYBMUJFWSA-N 1 2 237.299 1.405 20 0 BDADLO c1cc2c(cn1)OC[C@H]2Oc1cc[nH+]cc1 ZINC001225295489 974369671 /nfs/dbraw/zinc/36/96/71/974369671.db2.gz KXTIOMCVNHBBKE-GFCCVEGCSA-N 1 2 214.224 1.989 20 0 BDADLO COc1cc(OC)cc(OC2C[NH+](C)C2)c1 ZINC001225306543 974384949 /nfs/dbraw/zinc/38/49/49/974384949.db2.gz OXMFPWJIFCBASF-UHFFFAOYSA-N 1 2 223.272 1.397 20 0 BDADLO O=C1CC[C@@H]2C[C@@H]([N@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161431 974421364 /nfs/dbraw/zinc/42/13/64/974421364.db2.gz HNHNPILCGUJODP-ZRUFSTJUSA-N 1 2 244.285 1.132 20 0 BDADLO O=C1CC[C@@H]2C[C@@H]([N@@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161431 974421367 /nfs/dbraw/zinc/42/13/67/974421367.db2.gz HNHNPILCGUJODP-ZRUFSTJUSA-N 1 2 244.285 1.132 20 0 BDADLO CC(C)(CF)[NH2+]Cc1cn(C2CCC2)nn1 ZINC001330765691 974456136 /nfs/dbraw/zinc/45/61/36/974456136.db2.gz IWXWDFTVDPVJHC-UHFFFAOYSA-N 1 2 226.299 1.841 20 0 BDADLO C=C/C=C/CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001330856664 974507489 /nfs/dbraw/zinc/50/74/89/974507489.db2.gz QWHKSEQRYZWTKM-ONEGZZNKSA-N 1 2 246.314 1.541 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001330902837 974526846 /nfs/dbraw/zinc/52/68/46/974526846.db2.gz OVGJOBISVNEYQH-SECBINFHSA-N 1 2 248.286 1.712 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)CC1(F)F ZINC001330917899 974532683 /nfs/dbraw/zinc/53/26/83/974532683.db2.gz VSHFQFMIMWQTEG-SECBINFHSA-N 1 2 229.230 1.082 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225560424 974553700 /nfs/dbraw/zinc/55/37/00/974553700.db2.gz WLUUCEMTDZMJNT-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225560424 974553705 /nfs/dbraw/zinc/55/37/05/974553705.db2.gz WLUUCEMTDZMJNT-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)n1cccc1 ZINC001331198311 974641875 /nfs/dbraw/zinc/64/18/75/974641875.db2.gz WOAVYPADOIADIW-JTQLQIEISA-N 1 2 232.287 1.099 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(F)cn1 ZINC001225694884 974648868 /nfs/dbraw/zinc/64/88/68/974648868.db2.gz NKNZZAROLJSCER-JTQLQIEISA-N 1 2 240.278 1.320 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1C ZINC001331225659 974652349 /nfs/dbraw/zinc/65/23/49/974652349.db2.gz SNRZHTHYHPTEER-SNVBAGLBSA-N 1 2 245.282 1.968 20 0 BDADLO CC(C)(C)C(=O)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC001331229989 974654514 /nfs/dbraw/zinc/65/45/14/974654514.db2.gz WBWIDPWYACFPEU-UHFFFAOYSA-N 1 2 233.275 1.278 20 0 BDADLO Cc1c(O)ccc(OC2C[NH+](C)C2)c1C ZINC001225774497 974677919 /nfs/dbraw/zinc/67/79/19/974677919.db2.gz LRZWXXZADPGKII-UHFFFAOYSA-N 1 2 207.273 1.702 20 0 BDADLO Cc1cnc(CC(=O)Nc2cc[nH+]c(C)c2)s1 ZINC001331416326 974713445 /nfs/dbraw/zinc/71/34/45/974713445.db2.gz UKFKHJKCNVVODN-UHFFFAOYSA-N 1 2 247.323 1.758 20 0 BDADLO CC[NH+]1CC(Oc2cccn3ccnc23)C1 ZINC001226217078 974830806 /nfs/dbraw/zinc/83/08/06/974830806.db2.gz ZWMZZOVEFFVVKW-UHFFFAOYSA-N 1 2 217.272 1.417 20 0 BDADLO OC1C[NH+](Cc2ccc(Nc3ccno3)cc2)C1 ZINC001212665290 974842718 /nfs/dbraw/zinc/84/27/18/974842718.db2.gz GOWVLTBFTDKOCR-UHFFFAOYSA-N 1 2 245.282 1.595 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2cc[nH]n2)c[nH+]1 ZINC001331900751 974856618 /nfs/dbraw/zinc/85/66/18/974856618.db2.gz QGMQFRDIRGAMMY-UHFFFAOYSA-N 1 2 233.275 1.288 20 0 BDADLO CC1(O)C[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720423 974903962 /nfs/dbraw/zinc/90/39/62/974903962.db2.gz ZMIMMHUJGSKKER-GFCCVEGCSA-N 1 2 237.730 1.874 20 0 BDADLO Cc1nnc(OC2CC[NH+](CCF)CC2)o1 ZINC001226456898 974907239 /nfs/dbraw/zinc/90/72/39/974907239.db2.gz VUHTVESAOXBTNS-UHFFFAOYSA-N 1 2 229.255 1.191 20 0 BDADLO C[NH+]1CC(Oc2ncnc3ccccc32)C1 ZINC001226469752 974917888 /nfs/dbraw/zinc/91/78/88/974917888.db2.gz WTUUQGUJQBIDSK-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCOC1=O)CC2 ZINC001172822661 974946704 /nfs/dbraw/zinc/94/67/04/974946704.db2.gz AWPSVEPXRKXLBC-KBPBESRZSA-N 1 2 245.322 1.757 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001203182555 974962555 /nfs/dbraw/zinc/96/25/55/974962555.db2.gz VXPSCZJWASVLKR-LLVKDONJSA-N 1 2 233.311 1.732 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc(CO)cc1 ZINC001203182555 974962561 /nfs/dbraw/zinc/96/25/61/974962561.db2.gz VXPSCZJWASVLKR-LLVKDONJSA-N 1 2 233.311 1.732 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001203182556 974963311 /nfs/dbraw/zinc/96/33/11/974963311.db2.gz VXPSCZJWASVLKR-NSHDSACASA-N 1 2 233.311 1.732 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc(CO)cc1 ZINC001203182556 974963316 /nfs/dbraw/zinc/96/33/16/974963316.db2.gz VXPSCZJWASVLKR-NSHDSACASA-N 1 2 233.311 1.732 20 0 BDADLO CO[C@@H]1CCC[C@@H]([NH+]2CC(C)(F)C2)C1 ZINC001172931661 974982931 /nfs/dbraw/zinc/98/29/31/974982931.db2.gz PFDZQPOCSRSWDC-NXEZZACHSA-N 1 2 201.285 1.988 20 0 BDADLO CO[C@H]1CCC[C@H]([NH+]2CC(C)(F)C2)C1 ZINC001172931662 974984046 /nfs/dbraw/zinc/98/40/46/974984046.db2.gz PFDZQPOCSRSWDC-UWVGGRQHSA-N 1 2 201.285 1.988 20 0 BDADLO Cn1ncc(NC(=O)Cc2[nH]cc[nH+]2)c1C1CC1 ZINC001332170982 974988529 /nfs/dbraw/zinc/98/85/29/974988529.db2.gz WKIKLMOHRAWXIN-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001172941814 974997524 /nfs/dbraw/zinc/99/75/24/974997524.db2.gz GYDDHPQJCQIMLT-MXWKQRLJSA-N 1 2 249.301 1.646 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001172941814 974997533 /nfs/dbraw/zinc/99/75/33/974997533.db2.gz GYDDHPQJCQIMLT-MXWKQRLJSA-N 1 2 249.301 1.646 20 0 BDADLO CCc1nc(N2CC[C@@](C)(C(=O)OC)C2)cc[nH+]1 ZINC001332251662 975028213 /nfs/dbraw/zinc/02/82/13/975028213.db2.gz DWMNMEFJUXWQME-CYBMUJFWSA-N 1 2 249.314 1.428 20 0 BDADLO C[C@H]1C[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001173173618 975052527 /nfs/dbraw/zinc/05/25/27/975052527.db2.gz PYAAHPCBUPEUOG-AEJSXWLSSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1C[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001173173618 975052532 /nfs/dbraw/zinc/05/25/32/975052532.db2.gz PYAAHPCBUPEUOG-AEJSXWLSSA-N 1 2 235.274 1.256 20 0 BDADLO Cn1cccc1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001203254274 975056354 /nfs/dbraw/zinc/05/63/54/975056354.db2.gz OXBUNYWTNWNHKO-NSHDSACASA-N 1 2 224.279 1.528 20 0 BDADLO Cn1cccc1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001203254274 975056361 /nfs/dbraw/zinc/05/63/61/975056361.db2.gz OXBUNYWTNWNHKO-NSHDSACASA-N 1 2 224.279 1.528 20 0 BDADLO COCCn1cc(C[NH2+][C@H](C)c2ncc[nH]2)cn1 ZINC001332378266 975080816 /nfs/dbraw/zinc/08/08/16/975080816.db2.gz AUWDMJGLRBOZOV-SNVBAGLBSA-N 1 2 249.318 1.103 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001332400625 975095995 /nfs/dbraw/zinc/09/59/95/975095995.db2.gz IOSPWNSEEWECSQ-AYVTZFPOSA-N 1 2 229.305 1.088 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)on1 ZINC001332438573 975123792 /nfs/dbraw/zinc/12/37/92/975123792.db2.gz FYEHMTJOUUAIGW-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)on1 ZINC001332438573 975123798 /nfs/dbraw/zinc/12/37/98/975123798.db2.gz FYEHMTJOUUAIGW-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC001332558072 975212781 /nfs/dbraw/zinc/21/27/81/975212781.db2.gz JPBSAYZDJFVGNR-AAEUAGOBSA-N 1 2 245.326 1.662 20 0 BDADLO Cc1nnc(CC[N@@H+](C)Cc2ccon2)o1 ZINC001332652622 975238488 /nfs/dbraw/zinc/23/84/88/975238488.db2.gz MRGCWORTSJLHNJ-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H](C)O ZINC001332740020 975273830 /nfs/dbraw/zinc/27/38/30/975273830.db2.gz YGJMINXQVMRCSV-ZIQFBCGOSA-N 1 2 241.331 1.077 20 0 BDADLO CC[C@H](CO)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001332869443 975302011 /nfs/dbraw/zinc/30/20/11/975302011.db2.gz ITJDMPBNURPJJZ-GFCCVEGCSA-N 1 2 248.326 1.106 20 0 BDADLO CC[C@H](CO)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001332869443 975302016 /nfs/dbraw/zinc/30/20/16/975302016.db2.gz ITJDMPBNURPJJZ-GFCCVEGCSA-N 1 2 248.326 1.106 20 0 BDADLO COC/C(C)=C\C[NH2+][C@H](C)c1nnc(C)o1 ZINC001332888079 975309364 /nfs/dbraw/zinc/30/93/64/975309364.db2.gz ZBFHVQQXTQPVEU-BZJXQOFCSA-N 1 2 225.292 1.621 20 0 BDADLO C[C@H](C(=O)N1CCO[C@@H](C)CC1)n1cc[nH+]c1 ZINC001332926718 975325920 /nfs/dbraw/zinc/32/59/20/975325920.db2.gz VDGGBELWAJTPAG-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cc[nH+]c(C)c1OC1CCN(N)CC1 ZINC001227266133 975345772 /nfs/dbraw/zinc/34/57/72/975345772.db2.gz WYNDDRBQRCSOLB-UHFFFAOYSA-N 1 2 221.304 1.415 20 0 BDADLO CC(C)(C(=O)N1CCC(F)CC1)c1c[nH+]c[nH]1 ZINC001333124385 975460445 /nfs/dbraw/zinc/46/04/45/975460445.db2.gz HEIBXWRKBHDHQD-UHFFFAOYSA-N 1 2 239.294 1.648 20 0 BDADLO CC(C)[NH+]1CC(OC(=O)c2ccccc2O)C1 ZINC001227484711 975466989 /nfs/dbraw/zinc/46/69/89/975466989.db2.gz VNHMNPWOEYMJOR-UHFFFAOYSA-N 1 2 235.283 1.642 20 0 BDADLO OCc1cc[nH+]c(N2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC001333133259 975480039 /nfs/dbraw/zinc/48/00/39/975480039.db2.gz GJNLRDJXSMCYKX-ONXXMXGDSA-N 1 2 248.326 1.171 20 0 BDADLO CC(C)OC(=O)c1ccccc1OC1C[NH+](C)C1 ZINC001227616982 975581635 /nfs/dbraw/zinc/58/16/35/975581635.db2.gz LETSXBPMJMBNHQ-UHFFFAOYSA-N 1 2 249.310 1.945 20 0 BDADLO CC(C)N1CC[N@H+](CCCC(C)(F)F)CC1=O ZINC001333285860 975620397 /nfs/dbraw/zinc/62/03/97/975620397.db2.gz LLLXPUPJXSRBDC-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CC(C)N1CC[N@@H+](CCCC(C)(F)F)CC1=O ZINC001333285860 975620404 /nfs/dbraw/zinc/62/04/04/975620404.db2.gz LLLXPUPJXSRBDC-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC001333293688 975623272 /nfs/dbraw/zinc/62/32/72/975623272.db2.gz XLWPOKHWGQRAAK-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO CC[N@@H+]1CC[C@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806141 975704775 /nfs/dbraw/zinc/70/47/75/975704775.db2.gz FBSBGNVFILNKRX-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO CC[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806141 975704788 /nfs/dbraw/zinc/70/47/88/975704788.db2.gz FBSBGNVFILNKRX-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](C(=O)OCC)C1CC1)OC ZINC001333370084 975718289 /nfs/dbraw/zinc/71/82/89/975718289.db2.gz DKBHZQIBNLNLRC-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C(=O)OCC)C1CC1)OC ZINC001333370086 975720563 /nfs/dbraw/zinc/72/05/63/975720563.db2.gz DKBHZQIBNLNLRC-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)no1 ZINC001333399778 975749524 /nfs/dbraw/zinc/74/95/24/975749524.db2.gz COZBYYHNFUBFBP-PSASIEDQSA-N 1 2 239.319 1.844 20 0 BDADLO CO[C@H]1CC[N@H+](CC(=O)Nc2ncccc2C)C1 ZINC001333402323 975753420 /nfs/dbraw/zinc/75/34/20/975753420.db2.gz RTOZQXWCYPAHGE-NSHDSACASA-N 1 2 249.314 1.049 20 0 BDADLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ncccc2C)C1 ZINC001333402323 975753441 /nfs/dbraw/zinc/75/34/41/975753441.db2.gz RTOZQXWCYPAHGE-NSHDSACASA-N 1 2 249.314 1.049 20 0 BDADLO C[C@@H]1CSCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001333569800 975857168 /nfs/dbraw/zinc/85/71/68/975857168.db2.gz WQLKSTCOCZDFFO-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO CC[NH+]1CC(Oc2ccc(OC)c(F)c2)C1 ZINC001228058643 975883004 /nfs/dbraw/zinc/88/30/04/975883004.db2.gz KEAGEJJCTRPTAE-UHFFFAOYSA-N 1 2 225.263 1.917 20 0 BDADLO CC[N@H+](Cc1cnon1)[C@H]1CCCOC1 ZINC001333605059 975887920 /nfs/dbraw/zinc/88/79/20/975887920.db2.gz KGGTUIGSHNCTDR-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO CC[N@@H+](Cc1cnon1)[C@H]1CCCOC1 ZINC001333605059 975887923 /nfs/dbraw/zinc/88/79/23/975887923.db2.gz KGGTUIGSHNCTDR-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO C[C@H](C(=O)NC/C=C\Cl)n1cc[nH+]c1 ZINC001333624654 975905266 /nfs/dbraw/zinc/90/52/66/975905266.db2.gz HCUYWMCKBJGHFX-YAJNLLPGSA-N 1 2 213.668 1.313 20 0 BDADLO Cc1cnnc(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC001333698268 976002260 /nfs/dbraw/zinc/00/22/60/976002260.db2.gz UHJVERKMQXNHEG-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cnc(F)c(C)c2)n1C ZINC001333706277 976016443 /nfs/dbraw/zinc/01/64/43/976016443.db2.gz GBUPKJMDYCQTIY-UHFFFAOYSA-N 1 2 249.293 1.256 20 0 BDADLO Cc1ncoc1C[NH2+][C@@H](C)c1nccnc1C ZINC001333719824 976025392 /nfs/dbraw/zinc/02/53/92/976025392.db2.gz QXOJGSDKJXFBJV-JTQLQIEISA-N 1 2 232.287 1.932 20 0 BDADLO CC(C)c1cccc(OC2C[NH+](C)C2)n1 ZINC001228318391 976103366 /nfs/dbraw/zinc/10/33/66/976103366.db2.gz LLWUTABEGTXEIS-UHFFFAOYSA-N 1 2 206.289 1.898 20 0 BDADLO CC[NH+]1CC(Oc2ncnc(C)c2C)C1 ZINC001228320735 976104086 /nfs/dbraw/zinc/10/40/86/976104086.db2.gz PADLXYSQVGDJEC-UHFFFAOYSA-N 1 2 207.277 1.176 20 0 BDADLO Cc1[nH]c2ccc(OC[C@@H]3CCC(=O)O3)cc2[nH+]1 ZINC001228327845 976118252 /nfs/dbraw/zinc/11/82/52/976118252.db2.gz WJXBJCYOPNPRBH-JTQLQIEISA-N 1 2 246.266 1.956 20 0 BDADLO Cc1[nH]c2ccc(O[C@@H](C)CON)cc2[nH+]1 ZINC001228329945 976130284 /nfs/dbraw/zinc/13/02/84/976130284.db2.gz SRFHTJSISUCDBK-ZETCQYMHSA-N 1 2 221.260 1.529 20 0 BDADLO CCc1nc(N[C@H](C)C[S@@](C)=O)cc[nH+]1 ZINC001333929058 976171305 /nfs/dbraw/zinc/17/13/05/976171305.db2.gz ZJJDKJYOVGHVSN-ANRSDYALSA-N 1 2 227.333 1.218 20 0 BDADLO C[NH+]1CC(Oc2ccc3cc(Cl)cnc3n2)C1 ZINC001228382783 976174184 /nfs/dbraw/zinc/17/41/84/976174184.db2.gz KJJHGGIKIHTAFR-UHFFFAOYSA-N 1 2 249.701 1.976 20 0 BDADLO COc1ncc(Nc2c[nH+]ccc2OC)cn1 ZINC001174033640 976235425 /nfs/dbraw/zinc/23/54/25/976235425.db2.gz RNNSMCPBXUUZPI-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2nccn3c[nH+]cc23)C1 ZINC001334215190 976380943 /nfs/dbraw/zinc/38/09/43/976380943.db2.gz PZHNGHUQKBPTSV-AOOOYVTPSA-N 1 2 232.287 1.343 20 0 BDADLO COc1cc(Nc2cnn(C)c2)cc(C)[nH+]1 ZINC001174329208 976530306 /nfs/dbraw/zinc/53/03/06/976530306.db2.gz JANXQOFNURPLFA-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO CN(Cc1ccncc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001334746031 976615511 /nfs/dbraw/zinc/61/55/11/976615511.db2.gz GQLFDDHHLHSBRD-UHFFFAOYSA-N 1 2 230.271 1.006 20 0 BDADLO CC[NH+]1CC(Oc2ccnn2-c2ccccc2)C1 ZINC001229369103 976847608 /nfs/dbraw/zinc/84/76/08/976847608.db2.gz JQHKUOHUSBCPGU-UHFFFAOYSA-N 1 2 243.310 1.955 20 0 BDADLO COCCn1cc(Nc2c[nH+]ccc2OC)cn1 ZINC001174549997 976850545 /nfs/dbraw/zinc/85/05/45/976850545.db2.gz ACRMURWBHYQOTA-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO Cc1nc2nc[nH]c2c(OC2C[NH+](C(C)C)C2)n1 ZINC001229441027 976872127 /nfs/dbraw/zinc/87/21/27/976872127.db2.gz RSWBTROOAHRPKO-UHFFFAOYSA-N 1 2 247.302 1.133 20 0 BDADLO CCS(=O)(CC)=NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001335268256 976912457 /nfs/dbraw/zinc/91/24/57/976912457.db2.gz YQZZVJUQCNLLMX-SECBINFHSA-N 1 2 243.332 1.479 20 0 BDADLO C=CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001174779444 976989605 /nfs/dbraw/zinc/98/96/05/976989605.db2.gz CMJGUSMMMCGRKS-UHFFFAOYSA-N 1 2 205.261 1.474 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3ccc(F)cc32)C1 ZINC001229908119 977025201 /nfs/dbraw/zinc/02/52/01/977025201.db2.gz LTARBWRPGPFSJY-UHFFFAOYSA-N 1 2 235.262 1.785 20 0 BDADLO Cc1cc(N2CC(=O)N(C)C2)nc(C2CCC2)[nH+]1 ZINC001335469991 977078300 /nfs/dbraw/zinc/07/83/00/977078300.db2.gz DRTCWVAQHXSHMF-UHFFFAOYSA-N 1 2 246.314 1.288 20 0 BDADLO CC(C)[NH+]1CC(Oc2nc3cccnc3o2)C1 ZINC001230348936 977186874 /nfs/dbraw/zinc/18/68/74/977186874.db2.gz ZOLUHELIKNKZTF-UHFFFAOYSA-N 1 2 233.271 1.694 20 0 BDADLO COc1cncc(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001335741611 977252355 /nfs/dbraw/zinc/25/23/55/977252355.db2.gz MCWUVGTUGNLCSJ-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)CC1CC1 ZINC001230603239 977267701 /nfs/dbraw/zinc/26/77/01/977267701.db2.gz KBSJLIJEARAWIR-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)CC1CC1 ZINC001230603239 977267726 /nfs/dbraw/zinc/26/77/26/977267726.db2.gz KBSJLIJEARAWIR-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C)CC=CC1 ZINC001335764812 977270134 /nfs/dbraw/zinc/27/01/34/977270134.db2.gz OEVRBYKCQFKBNF-LLVKDONJSA-N 1 2 233.315 1.744 20 0 BDADLO CN(C)c1ccc(Nc2ccncc2F)c[nH+]1 ZINC001175197245 977294628 /nfs/dbraw/zinc/29/46/28/977294628.db2.gz PXQJRGUPWUFREM-UHFFFAOYSA-N 1 2 232.262 1.847 20 0 BDADLO CC[C@@H](F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001335847506 977327690 /nfs/dbraw/zinc/32/76/90/977327690.db2.gz XOKLXBNBYVYXCG-MRVPVSSYSA-N 1 2 213.256 1.391 20 0 BDADLO C=CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001335861096 977334010 /nfs/dbraw/zinc/33/40/10/977334010.db2.gz ZGLCWEWXZKEEIU-UHFFFAOYSA-N 1 2 246.310 1.643 20 0 BDADLO Cc1cccc2c(OC3C[NH+](C)C3)ncnc12 ZINC001230816488 977343307 /nfs/dbraw/zinc/34/33/07/977343307.db2.gz GVLQRMPMXHDRMO-UHFFFAOYSA-N 1 2 229.283 1.631 20 0 BDADLO CC[NH+]1CC(Oc2cccc(F)c2OC)C1 ZINC001230833505 977344824 /nfs/dbraw/zinc/34/48/24/977344824.db2.gz CZXTXHUIWCLYGK-UHFFFAOYSA-N 1 2 225.263 1.917 20 0 BDADLO COC/C(C)=C/C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC001335927254 977365824 /nfs/dbraw/zinc/36/58/24/977365824.db2.gz IXVSNLSVCNDSBF-CHXAMKGKSA-N 1 2 245.388 1.420 20 0 BDADLO COC/C(C)=C/C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC001335927254 977365833 /nfs/dbraw/zinc/36/58/33/977365833.db2.gz IXVSNLSVCNDSBF-CHXAMKGKSA-N 1 2 245.388 1.420 20 0 BDADLO COc1cc(Nc2ccc(N(C)C)[nH+]c2)ncn1 ZINC001175338842 977386669 /nfs/dbraw/zinc/38/66/69/977386669.db2.gz NOUWCMFHSQDPES-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO COc1cc(Nc2ccc(N(C)C)[nH+]c2)no1 ZINC001175338257 977388248 /nfs/dbraw/zinc/38/82/48/977388248.db2.gz ANTRKZRFOWLPRX-UHFFFAOYSA-N 1 2 234.259 1.888 20 0 BDADLO C[NH+]1CC(Oc2ccc3[nH]nc(Cl)c3c2)C1 ZINC001231123221 977496181 /nfs/dbraw/zinc/49/61/81/977496181.db2.gz HZFJYWLCFSBGBT-UHFFFAOYSA-N 1 2 237.690 1.909 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1(C)CC1 ZINC001336212250 977575646 /nfs/dbraw/zinc/57/56/46/977575646.db2.gz AHAHRNMSSMJOGX-VHSXEESVSA-N 1 2 221.304 1.749 20 0 BDADLO COc1nc(C)cnc1N=C1CCC[N@H+](C)C1 ZINC001175577315 977588867 /nfs/dbraw/zinc/58/88/67/977588867.db2.gz QREIPVJIGOLSQB-UHFFFAOYSA-N 1 2 234.303 1.425 20 0 BDADLO COc1nc(C)cnc1N=C1CCC[N@@H+](C)C1 ZINC001175577315 977588874 /nfs/dbraw/zinc/58/88/74/977588874.db2.gz QREIPVJIGOLSQB-UHFFFAOYSA-N 1 2 234.303 1.425 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C(F)F ZINC001336274599 977609925 /nfs/dbraw/zinc/60/99/25/977609925.db2.gz UALYFGPQDUPEAA-VIFPVBQESA-N 1 2 243.257 1.517 20 0 BDADLO c1[nH]c2cccnc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001231490988 977613710 /nfs/dbraw/zinc/61/37/10/977613710.db2.gz BDLCFLNAAPYEDD-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]c2cccnc2c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001231490988 977613714 /nfs/dbraw/zinc/61/37/14/977613714.db2.gz BDLCFLNAAPYEDD-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO CC(C)Oc1ccc(C[NH+]2CC3(COC3)C2)cn1 ZINC001231532169 977630781 /nfs/dbraw/zinc/63/07/81/977630781.db2.gz RDOJXJUOMLVIBB-UHFFFAOYSA-N 1 2 248.326 1.701 20 0 BDADLO CC[N@H+](Cc1cc2cc[nH]c2cn1)C1COC1 ZINC001231668891 977675223 /nfs/dbraw/zinc/67/52/23/977675223.db2.gz MWAKEUFHIGPSAE-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CC[N@@H+](Cc1cc2cc[nH]c2cn1)C1COC1 ZINC001231668891 977675237 /nfs/dbraw/zinc/67/52/37/977675237.db2.gz MWAKEUFHIGPSAE-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO COCc1ccc(C[N@@H+]2CCCC23COC3)o1 ZINC001231692551 977691981 /nfs/dbraw/zinc/69/19/81/977691981.db2.gz CWVGNHLGXJTMLD-UHFFFAOYSA-N 1 2 237.299 1.791 20 0 BDADLO COCc1ccc(C[N@H+]2CCCC23COC3)o1 ZINC001231692551 977691988 /nfs/dbraw/zinc/69/19/88/977691988.db2.gz CWVGNHLGXJTMLD-UHFFFAOYSA-N 1 2 237.299 1.791 20 0 BDADLO CCN(Cc1ccc(COC)o1)C1C[NH+](C)C1 ZINC001231694524 977696162 /nfs/dbraw/zinc/69/61/62/977696162.db2.gz JMFORWRPIYEHSR-UHFFFAOYSA-N 1 2 238.331 1.562 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC001231739893 977729264 /nfs/dbraw/zinc/72/92/64/977729264.db2.gz LLDOHONDWOFSNO-NSHDSACASA-N 1 2 240.278 1.186 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CCC[C@H](O)C1 ZINC001231739893 977729293 /nfs/dbraw/zinc/72/92/93/977729293.db2.gz LLDOHONDWOFSNO-NSHDSACASA-N 1 2 240.278 1.186 20 0 BDADLO CCc1ccc(N2CCN(C(C)=O)C[C@@H]2C)[nH+]c1 ZINC001336545896 977768632 /nfs/dbraw/zinc/76/86/32/977768632.db2.gz YZAHDOLHAHPUPS-NSHDSACASA-N 1 2 247.342 1.701 20 0 BDADLO CCc1ccc(N(C)[C@H](C)C[S@](C)=O)[nH+]c1 ZINC001336590401 977801165 /nfs/dbraw/zinc/80/11/65/977801165.db2.gz RRBLXBJJADEVTB-HWPZZCPQSA-N 1 2 240.372 1.847 20 0 BDADLO COc1ccnc(C[N@@H+](C)CC(OC)OC)c1 ZINC001231967928 977815749 /nfs/dbraw/zinc/81/57/49/977815749.db2.gz CNCXHSONCDMHKJ-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO COc1ccnc(C[N@H+](C)CC(OC)OC)c1 ZINC001231967928 977815752 /nfs/dbraw/zinc/81/57/52/977815752.db2.gz CNCXHSONCDMHKJ-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231991215 977828305 /nfs/dbraw/zinc/82/83/05/977828305.db2.gz VTFVNLAFPFUFLQ-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231991215 977828306 /nfs/dbraw/zinc/82/83/06/977828306.db2.gz VTFVNLAFPFUFLQ-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232091198 977888152 /nfs/dbraw/zinc/88/81/52/977888152.db2.gz UJOOBKBSCNWHJH-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232091198 977888154 /nfs/dbraw/zinc/88/81/54/977888154.db2.gz UJOOBKBSCNWHJH-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]C[C@H](O)c2ccccn2)o1 ZINC001336728412 977888439 /nfs/dbraw/zinc/88/84/39/977888439.db2.gz RAOYNALQRZSAAC-KWQFWETISA-N 1 2 248.286 1.157 20 0 BDADLO COC1(C[NH+]2CC(OC(F)F)C2)CCC1 ZINC001336756025 977922950 /nfs/dbraw/zinc/92/29/50/977922950.db2.gz YTOIXTCUKBNXSC-UHFFFAOYSA-N 1 2 221.247 1.479 20 0 BDADLO COc1cc(Nc2c[nH+]ccc2OC)ncn1 ZINC001176116377 977943451 /nfs/dbraw/zinc/94/34/51/977943451.db2.gz AVWLRXMBUAKSHH-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO COc1ccc(N)c(Nc2c[nH+]ccc2OC)n1 ZINC001176118632 977948696 /nfs/dbraw/zinc/94/86/96/977948696.db2.gz OJYSJGRKADCYKE-UHFFFAOYSA-N 1 2 246.270 1.820 20 0 BDADLO COc1cc[nH+]cc1Nc1cccnn1 ZINC001176118805 977949070 /nfs/dbraw/zinc/94/90/70/977949070.db2.gz ISXWHQCMBJJCIZ-UHFFFAOYSA-N 1 2 202.217 1.624 20 0 BDADLO COc1cc[nH+]cc1-n1c(C)cc(=O)c(N)c1C ZINC001176118595 977953314 /nfs/dbraw/zinc/95/33/14/977953314.db2.gz JPTLGJJPHZZAKZ-UHFFFAOYSA-N 1 2 245.282 1.440 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)s1 ZINC001232243184 977968940 /nfs/dbraw/zinc/96/89/40/977968940.db2.gz TUSIYQOPXBVENZ-SFYZADRCSA-N 1 2 245.298 1.934 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)s1 ZINC001232243184 977968951 /nfs/dbraw/zinc/96/89/51/977968951.db2.gz TUSIYQOPXBVENZ-SFYZADRCSA-N 1 2 245.298 1.934 20 0 BDADLO CCc1ccc(N2CC[C@]3(CCOC3=O)C2)[nH+]c1 ZINC001336819424 977982544 /nfs/dbraw/zinc/98/25/44/977982544.db2.gz YLPGMCBEFCDKAS-AWEZNQCLSA-N 1 2 246.310 1.787 20 0 BDADLO NC(=O)C1C[NH+](Cc2cc(Cl)cs2)C1 ZINC001232281708 977992315 /nfs/dbraw/zinc/99/23/15/977992315.db2.gz NJVADLUCTAQFLD-UHFFFAOYSA-N 1 2 230.720 1.319 20 0 BDADLO Cn1c[nH+]cc1CNC1(c2ncccn2)CCC1 ZINC001336848097 978000428 /nfs/dbraw/zinc/00/04/28/978000428.db2.gz ZQFOKUCJPDHDOX-UHFFFAOYSA-N 1 2 243.314 1.379 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001232337848 978011917 /nfs/dbraw/zinc/01/19/17/978011917.db2.gz DKYBQYDOMROHPG-VIFPVBQESA-N 1 2 221.304 1.193 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC001232337848 978011925 /nfs/dbraw/zinc/01/19/25/978011925.db2.gz DKYBQYDOMROHPG-VIFPVBQESA-N 1 2 221.304 1.193 20 0 BDADLO C[C@H](O)C(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC001336881248 978021584 /nfs/dbraw/zinc/02/15/84/978021584.db2.gz CDUZSYHTZHGCAS-QMMMGPOBSA-N 1 2 249.318 1.182 20 0 BDADLO Cc1nc(N)ccc1C[N@H+](C)Cc1ccncn1 ZINC001232345215 978023917 /nfs/dbraw/zinc/02/39/17/978023917.db2.gz FZPCJXOXVPGATK-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+](C)Cc1ccncn1 ZINC001232345215 978023927 /nfs/dbraw/zinc/02/39/27/978023927.db2.gz FZPCJXOXVPGATK-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Oc1cnc(N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC001336903902 978041006 /nfs/dbraw/zinc/04/10/06/978041006.db2.gz UTTXHQMPIIRETJ-UHFFFAOYSA-N 1 2 245.286 1.220 20 0 BDADLO C[C@H]1CC[N@H+](Cc2[nH]nc3c2CCC3)CCC1=O ZINC001232424903 978066556 /nfs/dbraw/zinc/06/65/56/978066556.db2.gz ORGNSOJGGJFFRN-JTQLQIEISA-N 1 2 247.342 1.699 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2[nH]nc3c2CCC3)CCC1=O ZINC001232424903 978066564 /nfs/dbraw/zinc/06/65/64/978066564.db2.gz ORGNSOJGGJFFRN-JTQLQIEISA-N 1 2 247.342 1.699 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)[nH]1 ZINC001232460503 978094400 /nfs/dbraw/zinc/09/44/00/978094400.db2.gz SCJJKTJXGJMAFN-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)[nH]1 ZINC001232460503 978094410 /nfs/dbraw/zinc/09/44/10/978094410.db2.gz SCJJKTJXGJMAFN-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c[nH]1 ZINC001232460503 978094421 /nfs/dbraw/zinc/09/44/21/978094421.db2.gz SCJJKTJXGJMAFN-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c[nH]1 ZINC001232460503 978094432 /nfs/dbraw/zinc/09/44/32/978094432.db2.gz SCJJKTJXGJMAFN-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc2c(o1)CCN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001232465643 978110637 /nfs/dbraw/zinc/11/06/37/978110637.db2.gz AMPVXEDIRXCXGN-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO Cc1nc2c(o1)CCN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001232465643 978110639 /nfs/dbraw/zinc/11/06/39/978110639.db2.gz AMPVXEDIRXCXGN-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC001232464238 978114973 /nfs/dbraw/zinc/11/49/73/978114973.db2.gz WFHOHPUMCYGRJB-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC001232464238 978114978 /nfs/dbraw/zinc/11/49/78/978114978.db2.gz WFHOHPUMCYGRJB-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO Cc1[nH]c(CN2CCOC3(CC3)C2)c[nH+]1 ZINC001232466153 978120459 /nfs/dbraw/zinc/12/04/59/978120459.db2.gz VHZNVVOMTYFEAC-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1[nH]cc(CN2CCOC3(CC3)C2)[nH+]1 ZINC001232466153 978120469 /nfs/dbraw/zinc/12/04/69/978120469.db2.gz VHZNVVOMTYFEAC-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO CCc1ccc(N2CCNC(=O)[C@H]2CC)[nH+]c1 ZINC001337066840 978150344 /nfs/dbraw/zinc/15/03/44/978150344.db2.gz MYJZBDXJRXQXJJ-LLVKDONJSA-N 1 2 233.315 1.359 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1CCCC12COC2 ZINC001232510698 978158692 /nfs/dbraw/zinc/15/86/92/978158692.db2.gz IAQFLGARPSWOKG-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1CCCC12COC2 ZINC001232510698 978158700 /nfs/dbraw/zinc/15/87/00/978158700.db2.gz IAQFLGARPSWOKG-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO Cc1[nH]c([C@H]2CCCN2C(=O)[C@H](C)O)[nH+]c1C ZINC001595989059 978161473 /nfs/dbraw/zinc/16/14/73/978161473.db2.gz KMBNKSHWGWAXOM-VHSXEESVSA-N 1 2 237.303 1.071 20 0 BDADLO CC[N@H+](Cc1c(OC)ncnc1OC)C1CC1 ZINC001232513509 978163796 /nfs/dbraw/zinc/16/37/96/978163796.db2.gz ZBTQFAVDQZETEE-UHFFFAOYSA-N 1 2 237.303 1.478 20 0 BDADLO CC[N@@H+](Cc1c(OC)ncnc1OC)C1CC1 ZINC001232513509 978163801 /nfs/dbraw/zinc/16/38/01/978163801.db2.gz ZBTQFAVDQZETEE-UHFFFAOYSA-N 1 2 237.303 1.478 20 0 BDADLO CCN(Cc1c[nH]c2nccnc12)C1C[NH+](C)C1 ZINC001232549218 978172420 /nfs/dbraw/zinc/17/24/20/978172420.db2.gz UNESYNWIEQKMQV-UHFFFAOYSA-N 1 2 245.330 1.045 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001204177705 978173759 /nfs/dbraw/zinc/17/37/59/978173759.db2.gz BSHRJAOEUOVBKN-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001204177705 978173767 /nfs/dbraw/zinc/17/37/67/978173767.db2.gz BSHRJAOEUOVBKN-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnc(C2CC2)s1 ZINC001176827643 978192126 /nfs/dbraw/zinc/19/21/26/978192126.db2.gz PHXWWAGBNPALAI-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO CC(C)Cn1cnc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001176828058 978193713 /nfs/dbraw/zinc/19/37/13/978193713.db2.gz VZGQWHZQRNHWAH-UHFFFAOYSA-N 1 2 247.302 1.443 20 0 BDADLO C[C@]1(F)CCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001176829576 978193753 /nfs/dbraw/zinc/19/37/53/978193753.db2.gz UYXJQVBWZBYUIC-LBPRGKRZSA-N 1 2 239.294 1.693 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C2(CC2)C1 ZINC001176830974 978198125 /nfs/dbraw/zinc/19/81/25/978198125.db2.gz IJMBPXNIEDAJLI-VIFPVBQESA-N 1 2 219.288 1.353 20 0 BDADLO Cc1cc(F)cc(N2CCn3cncc3C2)[nH+]1 ZINC001337177482 978198652 /nfs/dbraw/zinc/19/86/52/978198652.db2.gz BKFWOVZHTHGWNZ-UHFFFAOYSA-N 1 2 232.262 1.746 20 0 BDADLO CCc1ccc(N2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)[nH+]c1 ZINC001337180070 978200678 /nfs/dbraw/zinc/20/06/78/978200678.db2.gz ZPGLWIBOJTYLFX-PJXYFTJBSA-N 1 2 246.310 1.499 20 0 BDADLO CCc1ccc(N2CC[C@@H](C(=O)N(C)C)C2)[nH+]c1 ZINC001337190770 978205088 /nfs/dbraw/zinc/20/50/88/978205088.db2.gz HIBFTLSYCCZDIQ-GFCCVEGCSA-N 1 2 247.342 1.559 20 0 BDADLO CCOC1C[NH+](Cc2ccccc2NC)C1 ZINC001232667093 978226833 /nfs/dbraw/zinc/22/68/33/978226833.db2.gz RVSKPMUGWBTNHS-UHFFFAOYSA-N 1 2 220.316 1.949 20 0 BDADLO CCc1ccc(N(C)[C@H]2C[C@@H](C(N)=O)C2)[nH+]c1 ZINC001337235507 978234810 /nfs/dbraw/zinc/23/48/10/978234810.db2.gz AOPFNFVIGJEVLD-PHIMTYICSA-N 1 2 233.315 1.344 20 0 BDADLO CNC(=O)CC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001176898906 978257042 /nfs/dbraw/zinc/25/70/42/978257042.db2.gz UOMIPNZRQJEVLI-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO CNC(=O)CC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001176898906 978257051 /nfs/dbraw/zinc/25/70/51/978257051.db2.gz UOMIPNZRQJEVLI-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001337281381 978261342 /nfs/dbraw/zinc/26/13/42/978261342.db2.gz JQAQPBBRGJHWLN-WPRPVWTQSA-N 1 2 225.267 1.062 20 0 BDADLO OCCc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001232781140 978272972 /nfs/dbraw/zinc/27/29/72/978272972.db2.gz UXCZLLJVWAXVBS-KGLIPLIRSA-N 1 2 233.311 1.195 20 0 BDADLO OCCc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001232781140 978272985 /nfs/dbraw/zinc/27/29/85/978272985.db2.gz UXCZLLJVWAXVBS-KGLIPLIRSA-N 1 2 233.311 1.195 20 0 BDADLO CCCn1cnc(C[NH+]2CC(COC)C2)c1 ZINC001232795555 978282474 /nfs/dbraw/zinc/28/24/74/978282474.db2.gz OKZARSOUMUSDQY-UHFFFAOYSA-N 1 2 223.320 1.371 20 0 BDADLO OC1C[NH+](Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232818331 978304450 /nfs/dbraw/zinc/30/44/50/978304450.db2.gz KHHWNWDDFXQBDI-UHFFFAOYSA-N 1 2 237.690 1.393 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@](C)(CC)OC)c[nH+]1 ZINC001597257015 978308691 /nfs/dbraw/zinc/30/86/91/978308691.db2.gz FWUHUQJFYNOHKF-GFCCVEGCSA-N 1 2 239.319 1.403 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@](C)(CC)OC)[nH+]1 ZINC001597257015 978308697 /nfs/dbraw/zinc/30/86/97/978308697.db2.gz FWUHUQJFYNOHKF-GFCCVEGCSA-N 1 2 239.319 1.403 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(C)cc(O)c1 ZINC001232879280 978313228 /nfs/dbraw/zinc/31/32/28/978313228.db2.gz DQSNPSAJMQASDE-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(C)cc(O)c1 ZINC001232879280 978313236 /nfs/dbraw/zinc/31/32/36/978313236.db2.gz DQSNPSAJMQASDE-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c1 ZINC001232882031 978320842 /nfs/dbraw/zinc/32/08/42/978320842.db2.gz OANASLXBASCCJL-STQMWFEESA-N 1 2 232.327 1.589 20 0 BDADLO CCC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001337421734 978330344 /nfs/dbraw/zinc/33/03/44/978330344.db2.gz XGHLOUBANPGZDF-NSHDSACASA-N 1 2 221.304 1.674 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2ncoc2c1 ZINC001232942713 978354058 /nfs/dbraw/zinc/35/40/58/978354058.db2.gz IHMLHIIHXWQGNE-VIFPVBQESA-N 1 2 248.282 1.821 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ncoc2c1 ZINC001232942713 978354070 /nfs/dbraw/zinc/35/40/70/978354070.db2.gz IHMLHIIHXWQGNE-VIFPVBQESA-N 1 2 248.282 1.821 20 0 BDADLO O=C(Cc1ccon1)Nc1ccn2cc[nH+]c2c1 ZINC001177512886 978376005 /nfs/dbraw/zinc/37/60/05/978376005.db2.gz XLKKHHYAFBBGGE-UHFFFAOYSA-N 1 2 242.238 1.504 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+]1CCn2cncc2C1 ZINC001232989977 978390733 /nfs/dbraw/zinc/39/07/33/978390733.db2.gz AIRIQSFWCWHZFL-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1ncc(F)cc1C[N@H+]1CCn2cncc2C1 ZINC001232989977 978390744 /nfs/dbraw/zinc/39/07/44/978390744.db2.gz AIRIQSFWCWHZFL-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO COC(=O)C1C[NH+](Cc2cnc(C)cc2C)C1 ZINC001233004560 978393251 /nfs/dbraw/zinc/39/32/51/978393251.db2.gz CEBAYOJZUAGXML-UHFFFAOYSA-N 1 2 234.299 1.303 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC001233009003 978408658 /nfs/dbraw/zinc/40/86/58/978408658.db2.gz YOJDKUGKNZSTOQ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC001233009003 978408661 /nfs/dbraw/zinc/40/86/61/978408661.db2.gz YOJDKUGKNZSTOQ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cccc(O)c1F ZINC001233055158 978450272 /nfs/dbraw/zinc/45/02/72/978450272.db2.gz MMBSPXAXVNJWLQ-JTQLQIEISA-N 1 2 225.263 1.752 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cccc(O)c1F ZINC001233055158 978450281 /nfs/dbraw/zinc/45/02/81/978450281.db2.gz MMBSPXAXVNJWLQ-JTQLQIEISA-N 1 2 225.263 1.752 20 0 BDADLO Fc1ccc2c(c1)n[nH]c2C[NH+]1CC2(COC2)C1 ZINC001233119530 978470617 /nfs/dbraw/zinc/47/06/17/978470617.db2.gz FKXMIRAOSWXFRV-UHFFFAOYSA-N 1 2 247.273 1.534 20 0 BDADLO C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)n1cc[nH+]c1 ZINC001177922244 978472268 /nfs/dbraw/zinc/47/22/68/978472268.db2.gz QGPYAIIFFBGBIT-MRVPVSSYSA-N 1 2 245.286 1.683 20 0 BDADLO C[C@H](C(=O)N1CC(F)(C2CC2)C1)n1cc[nH+]c1 ZINC001177922417 978472997 /nfs/dbraw/zinc/47/29/97/978472997.db2.gz UWEZTLRSVJEQAU-SECBINFHSA-N 1 2 237.278 1.405 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C2(CC2)C1 ZINC001177998050 978483457 /nfs/dbraw/zinc/48/34/57/978483457.db2.gz LTGIRJLQUNMPRH-SNVBAGLBSA-N 1 2 233.315 1.743 20 0 BDADLO CC/C=C/NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119813 978503604 /nfs/dbraw/zinc/50/36/04/978503604.db2.gz WURUNSAWPWSPCS-YVGDHZEHSA-N 1 2 219.288 1.485 20 0 BDADLO C[NH+]1CC(NC(=O)C(C)(C)Cc2ccncc2)C1 ZINC001178253111 978525337 /nfs/dbraw/zinc/52/53/37/978525337.db2.gz LNWXJQHGEDEUEU-UHFFFAOYSA-N 1 2 247.342 1.081 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001233317888 978550383 /nfs/dbraw/zinc/55/03/83/978550383.db2.gz IGIWJIGGKDHJNS-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001233317888 978550395 /nfs/dbraw/zinc/55/03/95/978550395.db2.gz IGIWJIGGKDHJNS-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cnsc1CN1CCn2c[nH+]cc2C1 ZINC001233321328 978558530 /nfs/dbraw/zinc/55/85/30/978558530.db2.gz JKKWDXVEVWCRSX-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)o1 ZINC001233365144 978576795 /nfs/dbraw/zinc/57/67/95/978576795.db2.gz BDWBMPSAQJFAQK-INTQDDNPSA-N 1 2 210.252 1.773 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)o1 ZINC001233365144 978576802 /nfs/dbraw/zinc/57/68/02/978576802.db2.gz BDWBMPSAQJFAQK-INTQDDNPSA-N 1 2 210.252 1.773 20 0 BDADLO C/C=C(C)/C=C/C(=O)NCCn1cc[nH+]c1 ZINC001178506802 978577054 /nfs/dbraw/zinc/57/70/54/978577054.db2.gz LIHIXRRRUKNEHI-SOZMTEBASA-N 1 2 219.288 1.522 20 0 BDADLO c1cn2c(cccc2CN2CCC23COC3)[nH+]1 ZINC001233363015 978577632 /nfs/dbraw/zinc/57/76/32/978577632.db2.gz AJAXXGTZCUWLAP-UHFFFAOYSA-N 1 2 229.283 1.309 20 0 BDADLO C[C@]1(F)CCN(Cc2cccc(N)[nH+]2)C[C@@H]1F ZINC001233369566 978584007 /nfs/dbraw/zinc/58/40/07/978584007.db2.gz TZZNVBUQXAOUNW-JQWIXIFHSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cccc(N)n2)C[C@@H]1F ZINC001233369566 978584015 /nfs/dbraw/zinc/58/40/15/978584015.db2.gz TZZNVBUQXAOUNW-JQWIXIFHSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cccc(N)n2)C[C@@H]1F ZINC001233369566 978584019 /nfs/dbraw/zinc/58/40/19/978584019.db2.gz TZZNVBUQXAOUNW-JQWIXIFHSA-N 1 2 241.285 1.936 20 0 BDADLO C[NH+]1CC(OC[C@H]2COc3ccccc3O2)C1 ZINC001206331971 978585181 /nfs/dbraw/zinc/58/51/81/978585181.db2.gz AAPBGQNPSIPEEK-NSHDSACASA-N 1 2 235.283 1.157 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1N ZINC001233383056 978592945 /nfs/dbraw/zinc/59/29/45/978592945.db2.gz TUBFDPHQOFEWEA-VIFPVBQESA-N 1 2 242.269 1.768 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(F)c(F)cc1N ZINC001233383056 978592949 /nfs/dbraw/zinc/59/29/49/978592949.db2.gz TUBFDPHQOFEWEA-VIFPVBQESA-N 1 2 242.269 1.768 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cc[nH]c2CC)c[nH+]1 ZINC001178669083 978606196 /nfs/dbraw/zinc/60/61/96/978606196.db2.gz CLOVUVYXWAQFNY-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cc[nH]c2CC)[nH+]1 ZINC001178669083 978606204 /nfs/dbraw/zinc/60/62/04/978606204.db2.gz CLOVUVYXWAQFNY-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO CCc1nccnc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178691323 978612721 /nfs/dbraw/zinc/61/27/21/978612721.db2.gz NGXYTPMZTZLIPM-NSHDSACASA-N 1 2 248.330 1.462 20 0 BDADLO CCc1nccnc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178691323 978612734 /nfs/dbraw/zinc/61/27/34/978612734.db2.gz NGXYTPMZTZLIPM-NSHDSACASA-N 1 2 248.330 1.462 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCOCC1 ZINC001338240174 978638893 /nfs/dbraw/zinc/63/88/93/978638893.db2.gz CJTZMXRHQMPCDE-LBPRGKRZSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@]1(C)CCCO1 ZINC001338240849 978640179 /nfs/dbraw/zinc/64/01/79/978640179.db2.gz DKRPTQINUYZSNM-ZDUSSCGKSA-N 1 2 234.299 1.628 20 0 BDADLO CCN(C(=O)C1(CC)CCC1)C1C[NH+](C)C1 ZINC001179023816 978656773 /nfs/dbraw/zinc/65/67/73/978656773.db2.gz JDIZFCUQVXQDHS-UHFFFAOYSA-N 1 2 224.348 1.729 20 0 BDADLO Cc1oncc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179105020 978668875 /nfs/dbraw/zinc/66/88/75/978668875.db2.gz UZZOFDXAQCGWLD-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1oncc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179105020 978668879 /nfs/dbraw/zinc/66/88/79/978668879.db2.gz UZZOFDXAQCGWLD-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1C(=O)[O-] ZINC001600409535 978692459 /nfs/dbraw/zinc/69/24/59/978692459.db2.gz CHTNFLLDAODIPP-SNVBAGLBSA-N 1 2 236.315 1.472 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1C(=O)[O-] ZINC001600409535 978692461 /nfs/dbraw/zinc/69/24/61/978692461.db2.gz CHTNFLLDAODIPP-SNVBAGLBSA-N 1 2 236.315 1.472 20 0 BDADLO CC(C)[C@H](O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001179599826 978730070 /nfs/dbraw/zinc/73/00/70/978730070.db2.gz TUMSQRFPQWJECT-NSHDSACASA-N 1 2 233.271 1.290 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000069847481 978762785 /nfs/dbraw/zinc/76/27/85/978762785.db2.gz NHYPOOOLIWXJNY-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO c1n[nH]c(C[NH2+][C@@H]2CCCc3ccccc3C2)n1 ZINC001179842607 978763040 /nfs/dbraw/zinc/76/30/40/978763040.db2.gz QDJXBJFVQZEVFC-CYBMUJFWSA-N 1 2 242.326 1.842 20 0 BDADLO Cc1cc(N(C)CC(N)=O)[nH+]c2ccccc12 ZINC001339024286 978774503 /nfs/dbraw/zinc/77/45/03/978774503.db2.gz BWESORFMQPDEDR-UHFFFAOYSA-N 1 2 229.283 1.465 20 0 BDADLO OCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001206404227 978784924 /nfs/dbraw/zinc/78/49/24/978784924.db2.gz KHYHJESTZYPWCD-SNVBAGLBSA-N 1 2 237.290 1.099 20 0 BDADLO OCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001206404227 978784930 /nfs/dbraw/zinc/78/49/30/978784930.db2.gz KHYHJESTZYPWCD-SNVBAGLBSA-N 1 2 237.290 1.099 20 0 BDADLO C=C(F)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001180115726 978824195 /nfs/dbraw/zinc/82/41/95/978824195.db2.gz LNRXRSVFJUVVDX-VIFPVBQESA-N 1 2 223.251 1.599 20 0 BDADLO O=C([O-])[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001601794347 978850852 /nfs/dbraw/zinc/85/08/52/978850852.db2.gz KFGXXVCREFWDJG-QWRGUYRKSA-N 1 2 237.303 1.116 20 0 BDADLO CC[C@H]1C(=O)NCCN1c1cc(F)cc(C)[nH+]1 ZINC001339609179 978877668 /nfs/dbraw/zinc/87/76/68/978877668.db2.gz HFGKCHJREQBSEA-JTQLQIEISA-N 1 2 237.278 1.244 20 0 BDADLO CCc1ccc(N2CCC[C@@](C)(O)C2)[nH+]c1 ZINC001339643597 978884328 /nfs/dbraw/zinc/88/43/28/978884328.db2.gz HMHFQISIGOSTFD-CYBMUJFWSA-N 1 2 220.316 1.995 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@H]2CO)[nH+]1 ZINC001339688513 978894964 /nfs/dbraw/zinc/89/49/64/978894964.db2.gz UNUQKVKIGHTUEO-LDYMZIIASA-N 1 2 224.279 1.736 20 0 BDADLO Nc1cc(N2CCC[C@H](C3CC3)C2)[nH+]cn1 ZINC001339722197 978898794 /nfs/dbraw/zinc/89/87/94/978898794.db2.gz RCAIKHZDSUWWNX-JTQLQIEISA-N 1 2 218.304 1.685 20 0 BDADLO CCc1ccc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]c1 ZINC001339773951 978910293 /nfs/dbraw/zinc/91/02/93/978910293.db2.gz NRKYYQYZAJFZDE-WCQYABFASA-N 1 2 218.300 1.605 20 0 BDADLO Fc1cnc(C[N@H+]2CCC[C@H](F)CC2)nc1 ZINC001235006765 978950399 /nfs/dbraw/zinc/95/03/99/978950399.db2.gz OZBIJQKPYZQIRU-VIFPVBQESA-N 1 2 227.258 1.940 20 0 BDADLO Fc1cnc(C[N@@H+]2CCC[C@H](F)CC2)nc1 ZINC001235006765 978950404 /nfs/dbraw/zinc/95/04/04/978950404.db2.gz OZBIJQKPYZQIRU-VIFPVBQESA-N 1 2 227.258 1.940 20 0 BDADLO FC[C@H]1CCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235011682 978952301 /nfs/dbraw/zinc/95/23/01/978952301.db2.gz RWQRIRLXHNVMFQ-SECBINFHSA-N 1 2 227.258 1.797 20 0 BDADLO FC[C@H]1CCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235011682 978952307 /nfs/dbraw/zinc/95/23/07/978952307.db2.gz RWQRIRLXHNVMFQ-SECBINFHSA-N 1 2 227.258 1.797 20 0 BDADLO O=C1CCC[C@H]2C[N@@H+](Cc3ncc(F)cn3)C[C@H]12 ZINC001235023594 978956242 /nfs/dbraw/zinc/95/62/42/978956242.db2.gz QBFVHBRMUPZMJA-ONGXEEELSA-N 1 2 249.289 1.417 20 0 BDADLO O=C1CCC[C@H]2C[N@H+](Cc3ncc(F)cn3)C[C@H]12 ZINC001235023594 978956244 /nfs/dbraw/zinc/95/62/44/978956244.db2.gz QBFVHBRMUPZMJA-ONGXEEELSA-N 1 2 249.289 1.417 20 0 BDADLO CCC1(CNC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001340076105 978966042 /nfs/dbraw/zinc/96/60/42/978966042.db2.gz ZBHMMFDWMNKOCC-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO Cc1[nH]c2ccccc2c1C[N@@H+]1CCNC(=O)C1 ZINC001204287180 978985621 /nfs/dbraw/zinc/98/56/21/978985621.db2.gz WRLDLDKJVFBPAD-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO Cc1[nH]c2ccccc2c1C[N@H+]1CCNC(=O)C1 ZINC001204287180 978985626 /nfs/dbraw/zinc/98/56/26/978985626.db2.gz WRLDLDKJVFBPAD-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO CCc1cccc(CN2CCn3c[nH+]cc3C2)n1 ZINC001235256519 979012601 /nfs/dbraw/zinc/01/26/01/979012601.db2.gz CMGIDVXRJTVKPI-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CCCOCC2)c1 ZINC001235333700 979027442 /nfs/dbraw/zinc/02/74/42/979027442.db2.gz YNNNWMRWIMTUAP-UHFFFAOYSA-N 1 2 224.279 1.751 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CCCOCC2)c1 ZINC001235333700 979027447 /nfs/dbraw/zinc/02/74/47/979027447.db2.gz YNNNWMRWIMTUAP-UHFFFAOYSA-N 1 2 224.279 1.751 20 0 BDADLO COC[C@@H]1C[N@H+](CCc2ccns2)CCO1 ZINC001340585738 979041440 /nfs/dbraw/zinc/04/14/40/979041440.db2.gz KRTVADJKPXCAQW-JTQLQIEISA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC001340585738 979041447 /nfs/dbraw/zinc/04/14/47/979041447.db2.gz KRTVADJKPXCAQW-JTQLQIEISA-N 1 2 242.344 1.033 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235682251 979117371 /nfs/dbraw/zinc/11/73/71/979117371.db2.gz VXLPCYPWRCJRPY-JTQLQIEISA-N 1 2 249.289 1.659 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235682251 979117377 /nfs/dbraw/zinc/11/73/77/979117377.db2.gz VXLPCYPWRCJRPY-JTQLQIEISA-N 1 2 249.289 1.659 20 0 BDADLO C[N@@H+](Cc1nc2ccc(F)cc2[nH]1)CC1COC1 ZINC001235697805 979125694 /nfs/dbraw/zinc/12/56/94/979125694.db2.gz UJZMUDSQXSMMNG-UHFFFAOYSA-N 1 2 249.289 1.780 20 0 BDADLO C[N@H+](Cc1nc2ccc(F)cc2[nH]1)CC1COC1 ZINC001235697805 979125698 /nfs/dbraw/zinc/12/56/98/979125698.db2.gz UJZMUDSQXSMMNG-UHFFFAOYSA-N 1 2 249.289 1.780 20 0 BDADLO OCCC[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001235735789 979139111 /nfs/dbraw/zinc/13/91/11/979139111.db2.gz QCXDNEPJSJIPMD-UHFFFAOYSA-N 1 2 226.707 1.476 20 0 BDADLO OCCC[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001235735789 979139114 /nfs/dbraw/zinc/13/91/14/979139114.db2.gz QCXDNEPJSJIPMD-UHFFFAOYSA-N 1 2 226.707 1.476 20 0 BDADLO Cc1ccc(Nc2c(C(N)=O)cnn2C)c(C)[nH+]1 ZINC001203368296 979326468 /nfs/dbraw/zinc/32/64/68/979326468.db2.gz XIPZNYZLDPMNGS-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO Cc1c(N)cccc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001341453165 979406442 /nfs/dbraw/zinc/40/64/42/979406442.db2.gz XHYDOKPSWSXJFY-QMMMGPOBSA-N 1 2 243.257 1.498 20 0 BDADLO C[N@H+](CCO)Cc1ccc(O)c(F)c1F ZINC001236255209 979475706 /nfs/dbraw/zinc/47/57/06/979475706.db2.gz JOPLAFKEXZADJD-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO C[N@@H+](CCO)Cc1ccc(O)c(F)c1F ZINC001236255209 979475710 /nfs/dbraw/zinc/47/57/10/979475710.db2.gz JOPLAFKEXZADJD-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO Cc1cc(C[N@H+](C)CCO)c(Cl)nc1C ZINC001236259104 979482383 /nfs/dbraw/zinc/48/23/83/979482383.db2.gz PGHSBUKCTTXDCF-UHFFFAOYSA-N 1 2 228.723 1.776 20 0 BDADLO Cc1cc(C[N@@H+](C)CCO)c(Cl)nc1C ZINC001236259104 979482390 /nfs/dbraw/zinc/48/23/90/979482390.db2.gz PGHSBUKCTTXDCF-UHFFFAOYSA-N 1 2 228.723 1.776 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2ccoc2)o1 ZINC001341625806 979497647 /nfs/dbraw/zinc/49/76/47/979497647.db2.gz RNTZMGVLJVOIEB-UHFFFAOYSA-N 1 2 221.260 1.509 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)NC(=O)NC3)c[nH+]1 ZINC001236313008 979522421 /nfs/dbraw/zinc/52/24/21/979522421.db2.gz GIHOGFHLFKAEGC-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO Nc1cn2ccc(-c3ccc(N)nc3)cc2[nH+]1 ZINC001236313740 979525028 /nfs/dbraw/zinc/52/50/28/979525028.db2.gz ZPRKNXFIIUSNQQ-UHFFFAOYSA-N 1 2 225.255 1.561 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCC1(C)C)n1cc[nH+]c1 ZINC001341969146 979608491 /nfs/dbraw/zinc/60/84/91/979608491.db2.gz MCKTZTUXUHHZSN-VHSXEESVSA-N 1 2 221.304 1.749 20 0 BDADLO CC(C)OC(=O)Cc1ccn2cc[nH+]c2c1 ZINC001250085933 979613430 /nfs/dbraw/zinc/61/34/30/979613430.db2.gz LVOGSTVWNFTGMN-UHFFFAOYSA-N 1 2 218.256 1.828 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@@H]1C(=O)[O-])[N@H+](C)C1CC1 ZINC001604333494 979622722 /nfs/dbraw/zinc/62/27/22/979622722.db2.gz WQWLKDGMOXYHDI-XPXLGCRWSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@@H]1C(=O)[O-])[N@@H+](C)C1CC1 ZINC001604333494 979622726 /nfs/dbraw/zinc/62/27/26/979622726.db2.gz WQWLKDGMOXYHDI-XPXLGCRWSA-N 1 2 240.347 1.168 20 0 BDADLO Oc1cncc(-c2cc[nH+]c3c2CCN3)c1 ZINC001236584375 979664966 /nfs/dbraw/zinc/66/49/66/979664966.db2.gz AWUASWHENCWTFD-UHFFFAOYSA-N 1 2 213.240 1.817 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCCC(=O)CC2)o1 ZINC001236594226 979673232 /nfs/dbraw/zinc/67/32/32/979673232.db2.gz HZNGEEKWLYFHST-UHFFFAOYSA-N 1 2 222.288 1.846 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCCC(=O)CC2)o1 ZINC001236594226 979673235 /nfs/dbraw/zinc/67/32/35/979673235.db2.gz HZNGEEKWLYFHST-UHFFFAOYSA-N 1 2 222.288 1.846 20 0 BDADLO CNC(=O)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250112555 979829659 /nfs/dbraw/zinc/82/96/59/979829659.db2.gz GNFNGZVSAWPROH-UHFFFAOYSA-N 1 2 229.283 1.220 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCn3ccnc32)[nH]n1 ZINC000716460772 979832019 /nfs/dbraw/zinc/83/20/19/979832019.db2.gz WNNLETBLSFQSDH-JTQLQIEISA-N 1 2 217.276 1.149 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccccc1OCCO ZINC001237196927 979846489 /nfs/dbraw/zinc/84/64/89/979846489.db2.gz OMBPAMNKQUAIPK-UHFFFAOYSA-N 1 2 237.299 1.079 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccccc1OCCO ZINC001237196927 979846494 /nfs/dbraw/zinc/84/64/94/979846494.db2.gz OMBPAMNKQUAIPK-UHFFFAOYSA-N 1 2 237.299 1.079 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001605478163 979878794 /nfs/dbraw/zinc/87/87/94/979878794.db2.gz VKMSBCDOLULKPR-WISYIIOYSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001605478163 979878796 /nfs/dbraw/zinc/87/87/96/979878796.db2.gz VKMSBCDOLULKPR-WISYIIOYSA-N 1 2 240.347 1.170 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc3ccccn3n2)CC[C@H]1F ZINC001237438516 979892072 /nfs/dbraw/zinc/89/20/72/979892072.db2.gz IAGPHLMNTCCASJ-OLZOCXBDSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc3ccccn3n2)CC[C@H]1F ZINC001237438516 979892077 /nfs/dbraw/zinc/89/20/77/979892077.db2.gz IAGPHLMNTCCASJ-OLZOCXBDSA-N 1 2 249.289 1.239 20 0 BDADLO CCNC(=O)Cc1ccn2cc[nH+]c2c1 ZINC001250135659 979901201 /nfs/dbraw/zinc/90/12/01/979901201.db2.gz AAEKVBDEYQMNNV-UHFFFAOYSA-N 1 2 203.245 1.013 20 0 BDADLO C[NH+]1CC(NC(=O)C(C)(C)CC2CCC2)C1 ZINC001183938184 979902574 /nfs/dbraw/zinc/90/25/74/979902574.db2.gz ZWMGXVDVAFJGKO-UHFFFAOYSA-N 1 2 224.348 1.633 20 0 BDADLO COC(=O)Cc1cccc(C[NH+]2CC(OC)C2)c1 ZINC001237483874 979909848 /nfs/dbraw/zinc/90/98/48/979909848.db2.gz NNLJJZSQJHSIKD-UHFFFAOYSA-N 1 2 249.310 1.233 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccn2nccc2c1 ZINC001237541796 979935345 /nfs/dbraw/zinc/93/53/45/979935345.db2.gz FUJPFPQYQLMYSB-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccn2nccc2c1 ZINC001237541796 979935352 /nfs/dbraw/zinc/93/53/52/979935352.db2.gz FUJPFPQYQLMYSB-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC2(CC2)C1 ZINC001237596438 979954398 /nfs/dbraw/zinc/95/43/98/979954398.db2.gz YJEUYMJLIZITHP-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CC[C@](C)(O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184255685 979983860 /nfs/dbraw/zinc/98/38/60/979983860.db2.gz IVYJUSZBUWGLON-ZDUSSCGKSA-N 1 2 247.298 1.824 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)co2)C1 ZINC001237642197 979995216 /nfs/dbraw/zinc/99/52/16/979995216.db2.gz IQCLBSNPKSXEOD-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)co2)C1 ZINC001237642197 979995221 /nfs/dbraw/zinc/99/52/21/979995221.db2.gz IQCLBSNPKSXEOD-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001237648291 979996833 /nfs/dbraw/zinc/99/68/33/979996833.db2.gz FXHVOTAHLLZUGS-LBPRGKRZSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001237648291 979996843 /nfs/dbraw/zinc/99/68/43/979996843.db2.gz FXHVOTAHLLZUGS-LBPRGKRZSA-N 1 2 222.288 1.738 20 0 BDADLO CCc1n[nH]cc1C[NH+]1CCN(CCF)CC1 ZINC001237659445 980021878 /nfs/dbraw/zinc/02/18/78/980021878.db2.gz OQEXMUMKWPOLAK-UHFFFAOYSA-N 1 2 240.326 1.059 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001237655273 980024829 /nfs/dbraw/zinc/02/48/29/980024829.db2.gz OVZFMRFVZBCDHF-GHMZBOCLSA-N 1 2 221.304 1.335 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001237655273 980024833 /nfs/dbraw/zinc/02/48/33/980024833.db2.gz OVZFMRFVZBCDHF-GHMZBOCLSA-N 1 2 221.304 1.335 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001237653782 980025320 /nfs/dbraw/zinc/02/53/20/980025320.db2.gz PTDKNWWNGBGPJF-NXEZZACHSA-N 1 2 223.320 1.581 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001237653782 980025334 /nfs/dbraw/zinc/02/53/34/980025334.db2.gz PTDKNWWNGBGPJF-NXEZZACHSA-N 1 2 223.320 1.581 20 0 BDADLO CC(C)CC(=O)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001184326925 980030540 /nfs/dbraw/zinc/03/05/40/980030540.db2.gz JLTVJVKGRYPQKD-WDEREUQCSA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)CC(=O)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001184326925 980030551 /nfs/dbraw/zinc/03/05/51/980030551.db2.gz JLTVJVKGRYPQKD-WDEREUQCSA-N 1 2 240.347 1.153 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)no1 ZINC001343171055 980031397 /nfs/dbraw/zinc/03/13/97/980031397.db2.gz SEFXKFYDFSSOQZ-WPRPVWTQSA-N 1 2 237.303 1.740 20 0 BDADLO COc1ccc(C)c(C[NH+]2CCOCC2)c1 ZINC001237710841 980034387 /nfs/dbraw/zinc/03/43/87/980034387.db2.gz CASBGKRNTWURCJ-UHFFFAOYSA-N 1 2 221.300 1.836 20 0 BDADLO C[N@H+](Cc1cccc2c1OCC2)C1(C)COC1 ZINC001237748547 980043565 /nfs/dbraw/zinc/04/35/65/980043565.db2.gz JTHYCAWEQOKTNF-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO C[N@@H+](Cc1cccc2c1OCC2)C1(C)COC1 ZINC001237748547 980043574 /nfs/dbraw/zinc/04/35/74/980043574.db2.gz JTHYCAWEQOKTNF-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]ccc2=O)CCC1=O ZINC001237836948 980084277 /nfs/dbraw/zinc/08/42/77/980084277.db2.gz IUVSJQKJTDZRTQ-UHFFFAOYSA-N 1 2 234.299 1.176 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]ccc2=O)CCC1=O ZINC001237836948 980084292 /nfs/dbraw/zinc/08/42/92/980084292.db2.gz IUVSJQKJTDZRTQ-UHFFFAOYSA-N 1 2 234.299 1.176 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NC2C[NH+](C)C2)C1 ZINC001184513354 980101971 /nfs/dbraw/zinc/10/19/71/980101971.db2.gz UOLLNWPGVQMHCN-VHSXEESVSA-N 1 2 210.321 1.243 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](O)C2)c(Cl)cn1 ZINC001238362663 980240066 /nfs/dbraw/zinc/24/00/66/980240066.db2.gz YKVBVXNGINKWCI-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](O)C2)c(Cl)cn1 ZINC001238362663 980240079 /nfs/dbraw/zinc/24/00/79/980240079.db2.gz YKVBVXNGINKWCI-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO CCc1ccnc(-c2noc([C@@H]([NH3+])COC)n2)c1 ZINC000823167835 980267326 /nfs/dbraw/zinc/26/73/26/980267326.db2.gz NKAPKAYXGWMSBR-VIFPVBQESA-N 1 2 248.286 1.340 20 0 BDADLO C[C@@H](C(=O)N(C)CCCCCO)n1cc[nH+]c1 ZINC001344117431 980352035 /nfs/dbraw/zinc/35/20/35/980352035.db2.gz YBQBBHLQZITXAO-NSHDSACASA-N 1 2 239.319 1.065 20 0 BDADLO O=C(NCC1CC1)Nc1cc[nH+]c2c1CCC2 ZINC001186582375 980408696 /nfs/dbraw/zinc/40/86/96/980408696.db2.gz GXDKGWGPOXEXQI-UHFFFAOYSA-N 1 2 231.299 1.524 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/[C@H]1CCOC1 ZINC001344821344 980475999 /nfs/dbraw/zinc/47/59/99/980475999.db2.gz ACRHKJCPDZILKM-PBKGFPTLSA-N 1 2 236.271 1.056 20 0 BDADLO O=C([C@H]1CCC=N1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001187365775 980504937 /nfs/dbraw/zinc/50/49/37/980504937.db2.gz RGWCZSGDRYMXSV-LLVKDONJSA-N 1 2 246.314 1.349 20 0 BDADLO O=C([C@H]1CCC=N1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001187365775 980504940 /nfs/dbraw/zinc/50/49/40/980504940.db2.gz RGWCZSGDRYMXSV-LLVKDONJSA-N 1 2 246.314 1.349 20 0 BDADLO CO[C@](C)([C@H](C)[NH2+]CC(=O)OC(C)C)C1CC1 ZINC001345042962 980531902 /nfs/dbraw/zinc/53/19/02/980531902.db2.gz ODJJVKSNPCSYEY-GXFFZTMASA-N 1 2 243.347 1.731 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)n1 ZINC001345075745 980542542 /nfs/dbraw/zinc/54/25/42/980542542.db2.gz GXGFAHLXTBVUCR-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2c[nH]cc2C)[nH+]1 ZINC001187806136 980554352 /nfs/dbraw/zinc/55/43/52/980554352.db2.gz BVVNNTGLJGOASX-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO Nc1cn2ccc(C3=CCOC3)cc2[nH+]1 ZINC001239480219 980622771 /nfs/dbraw/zinc/62/27/71/980622771.db2.gz FGRIFUQRKJMOEV-UHFFFAOYSA-N 1 2 201.229 1.330 20 0 BDADLO CCCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001345575355 980635352 /nfs/dbraw/zinc/63/53/52/980635352.db2.gz GISQPRQZFDKVDJ-UHFFFAOYSA-N 1 2 223.320 1.611 20 0 BDADLO O=C(c1cc(F)c[nH]1)N1CCc2[nH+]ccn2CC1 ZINC001188482794 980650641 /nfs/dbraw/zinc/65/06/41/980650641.db2.gz IGCBNXPOMPQYBN-UHFFFAOYSA-N 1 2 248.261 1.049 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccc[nH]1 ZINC001188566033 980661075 /nfs/dbraw/zinc/66/10/75/980661075.db2.gz TXOFQGSJJPDHSY-UHFFFAOYSA-N 1 2 227.267 1.573 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cccnn1 ZINC001188662639 980680033 /nfs/dbraw/zinc/68/00/33/980680033.db2.gz OGZLRSSEHLEMMT-UHFFFAOYSA-N 1 2 240.266 1.035 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)cc(C)n1 ZINC001345886024 980703297 /nfs/dbraw/zinc/70/32/97/980703297.db2.gz APVORJDQFQTKHP-UHFFFAOYSA-N 1 2 245.282 1.752 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001345895763 980706004 /nfs/dbraw/zinc/70/60/04/980706004.db2.gz ZKDXCPWKPBTKJM-GHMZBOCLSA-N 1 2 235.331 1.658 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C)CC1 ZINC001345986810 980723900 /nfs/dbraw/zinc/72/39/00/980723900.db2.gz RKMXVGXCLWPGJH-UHFFFAOYSA-N 1 2 207.277 1.021 20 0 BDADLO CCC[C@H](OC)C(=O)OCc1c[nH+]cn1CC ZINC001345995500 980727348 /nfs/dbraw/zinc/72/73/48/980727348.db2.gz CACCKKKUMFGQRR-NSHDSACASA-N 1 2 240.303 1.761 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)OC1CCC1 ZINC001189442142 980793801 /nfs/dbraw/zinc/79/38/01/980793801.db2.gz PYEAKUSWQUWMTP-SECBINFHSA-N 1 2 235.287 1.477 20 0 BDADLO COc1ccc(C[NH+]2CC(O)C2)c(C)c1C ZINC001203712994 980843794 /nfs/dbraw/zinc/84/37/94/980843794.db2.gz OQLJTSNZSPOWAN-UHFFFAOYSA-N 1 2 221.300 1.489 20 0 BDADLO CNc1cc(CNC(=O)N[C@@H]2C=CCC2)cc[nH+]1 ZINC001346505519 980853446 /nfs/dbraw/zinc/85/34/46/980853446.db2.gz IIMSGGCKNPTYAF-LLVKDONJSA-N 1 2 246.314 1.641 20 0 BDADLO CCNc1cc(CNC(=O)N(C)OC)cc[nH+]1 ZINC001346575819 980864239 /nfs/dbraw/zinc/86/42/39/980864239.db2.gz ADDIIIDXAUZLSN-UHFFFAOYSA-N 1 2 238.291 1.216 20 0 BDADLO C[C@@H]1COCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001346661478 980877371 /nfs/dbraw/zinc/87/73/71/980877371.db2.gz CBSCVOTXWCNWOS-RKDXNWHRSA-N 1 2 225.292 1.271 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccccc1C(N)=O ZINC001239762757 980902230 /nfs/dbraw/zinc/90/22/30/980902230.db2.gz ZEFOUFVXSXZUDS-KBXRYBNXSA-N 1 2 202.257 1.661 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001346841593 980918628 /nfs/dbraw/zinc/91/86/28/980918628.db2.gz CVUGBBCFIJQLFJ-OIBJUYFYSA-N 1 2 232.291 1.105 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001347018630 980951386 /nfs/dbraw/zinc/95/13/86/980951386.db2.gz NCZRLIACFWYVLJ-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001347126881 980982555 /nfs/dbraw/zinc/98/25/55/980982555.db2.gz UMRFKCLGJZHTEX-ZJUUUORDSA-N 1 2 221.304 1.220 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@]12C[C@H]1CCCC2 ZINC001347142554 980988669 /nfs/dbraw/zinc/98/86/69/980988669.db2.gz DLJBYYAOGVSQFK-BXUZGUMPSA-N 1 2 247.342 1.802 20 0 BDADLO NC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001239871276 981014090 /nfs/dbraw/zinc/01/40/90/981014090.db2.gz IWUZKZLLGSTRCZ-UHFFFAOYSA-N 1 2 213.240 1.430 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)Nc2ccccn2)c1 ZINC001191345143 981016209 /nfs/dbraw/zinc/01/62/09/981016209.db2.gz FTZUTWBVSWPAAQ-UHFFFAOYSA-N 1 2 245.286 1.179 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH+]ccn2C)n(C)n1 ZINC001347353666 981056011 /nfs/dbraw/zinc/05/60/11/981056011.db2.gz ZXUYHUGNAUMWDS-UHFFFAOYSA-N 1 2 247.302 1.033 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1ccns1 ZINC001347352904 981056302 /nfs/dbraw/zinc/05/63/02/981056302.db2.gz RWSFOSVPLWJQQL-UHFFFAOYSA-N 1 2 236.300 1.448 20 0 BDADLO CNc1ccc(Cc2ccnn2C)c[nH+]1 ZINC001250437729 981090707 /nfs/dbraw/zinc/09/07/07/981090707.db2.gz SUPRFDZROSNCKG-UHFFFAOYSA-N 1 2 202.261 1.448 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2ccn(C)c2C)[nH+]1 ZINC001191849878 981094405 /nfs/dbraw/zinc/09/44/05/981094405.db2.gz XKPYNACAAREJAQ-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO Cc1nc(C(=O)Nc2ccn3cc[nH+]c3c2)no1 ZINC001191990546 981107509 /nfs/dbraw/zinc/10/75/09/981107509.db2.gz QTSYFCLKSXHPMY-UHFFFAOYSA-N 1 2 243.226 1.278 20 0 BDADLO O=C([C@@H]1C[C@@H]1F)N1CC(Oc2cc[nH+]cc2)C1 ZINC001347580247 981121676 /nfs/dbraw/zinc/12/16/76/981121676.db2.gz HENXNRQNTMGUHU-MNOVXSKESA-N 1 2 236.246 1.029 20 0 BDADLO Cc1cc(NC(=O)NC2C[NH+](C)C2)ccc1F ZINC001192400770 981156701 /nfs/dbraw/zinc/15/67/01/981156701.db2.gz HPBYZHAHQXGVLX-UHFFFAOYSA-N 1 2 237.278 1.570 20 0 BDADLO COc1nccc(-c2ccc3[nH+]ccn3c2)c1N ZINC001240217683 981167062 /nfs/dbraw/zinc/16/70/62/981167062.db2.gz LOUZTRZKOOKEOK-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO c1cn2cc(-c3ccc4nncn4n3)ccc2[nH+]1 ZINC001240218742 981169620 /nfs/dbraw/zinc/16/96/20/981169620.db2.gz XANOHTNQVYNPKX-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO CCn1nc(-c2ccc3[nH+]ccn3c2)ccc1=O ZINC001240221039 981176374 /nfs/dbraw/zinc/17/63/74/981176374.db2.gz DUANDPRUJSFVSJ-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO C[C@H](C(=O)N1CCC[C@@](C)(F)C1)n1cc[nH+]c1 ZINC001347860190 981201646 /nfs/dbraw/zinc/20/16/46/981201646.db2.gz CILRJYKQUGVWHO-ZYHUDNBSSA-N 1 2 239.294 1.795 20 0 BDADLO CCc1ccc(NCC[S@](C)=O)[nH+]c1 ZINC001348001091 981241678 /nfs/dbraw/zinc/24/16/78/981241678.db2.gz VJCOXWOJQRZBHI-AWEZNQCLSA-N 1 2 212.318 1.434 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@@H](C)COC ZINC001347972871 981231514 /nfs/dbraw/zinc/23/15/14/981231514.db2.gz RSHVEDHQLOEJEF-SNVBAGLBSA-N 1 2 240.303 1.619 20 0 BDADLO CCCC[C@H](C)NC(=O)NC1C[NH+](C)C1 ZINC001193075288 981234601 /nfs/dbraw/zinc/23/46/01/981234601.db2.gz NRHUREVOFBEOND-VIFPVBQESA-N 1 2 213.325 1.178 20 0 BDADLO CCc1ccc(NCC[S@@](C)=O)[nH+]c1 ZINC001348001092 981241097 /nfs/dbraw/zinc/24/10/97/981241097.db2.gz VJCOXWOJQRZBHI-CQSZACIVSA-N 1 2 212.318 1.434 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC001348073343 981274347 /nfs/dbraw/zinc/27/43/47/981274347.db2.gz MFFFZORBDUGMSA-XCBNKYQSSA-N 1 2 210.252 1.346 20 0 BDADLO CNc1cc(CNC(=O)NC[C@H]2C[C@H]2C)cc[nH+]1 ZINC001348068640 981274482 /nfs/dbraw/zinc/27/44/82/981274482.db2.gz NIOIKTGIGMIBGJ-MWLCHTKSSA-N 1 2 248.330 1.579 20 0 BDADLO CC[C@@H](C[NH2+][C@@H](CC)c1noc(C)n1)OC ZINC001193238630 981277334 /nfs/dbraw/zinc/27/73/34/981277334.db2.gz JPPGGPGYRZSIBW-UWVGGRQHSA-N 1 2 227.308 1.844 20 0 BDADLO CC[C@H](NCc1c[nH+]cn1C)c1noc(C)n1 ZINC001193241120 981277393 /nfs/dbraw/zinc/27/73/93/981277393.db2.gz XRXKNTBBSQNGER-JTQLQIEISA-N 1 2 235.291 1.352 20 0 BDADLO Cc1n[nH]c(CNC(=O)[C@@H](C)n2cc[nH+]c2)c1C ZINC001348120735 981288087 /nfs/dbraw/zinc/28/80/87/981288087.db2.gz NKPJHZCSUMOGRX-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO CCc1ccc(NCC2([S@@](C)=O)CC2)[nH+]c1 ZINC001348137383 981294467 /nfs/dbraw/zinc/29/44/67/981294467.db2.gz JWYCDAKUFXNJBD-MRXNPFEDSA-N 1 2 238.356 1.967 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001348399638 981353997 /nfs/dbraw/zinc/35/39/97/981353997.db2.gz JFFYHHWQTKTFHI-FOGDFJRCSA-N 1 2 237.303 1.128 20 0 BDADLO CCO[C@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001348626736 981410023 /nfs/dbraw/zinc/41/00/23/981410023.db2.gz POFCSQPCQYZHBO-SNVBAGLBSA-N 1 2 240.303 1.321 20 0 BDADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1cnon1 ZINC001193703425 981426061 /nfs/dbraw/zinc/42/60/61/981426061.db2.gz GSUKLAQDRMCUMN-VIFPVBQESA-N 1 2 239.300 1.263 20 0 BDADLO Cc1n[nH]cc1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001240518352 981447201 /nfs/dbraw/zinc/44/72/01/981447201.db2.gz FQPOLJLEETZBNM-UHFFFAOYSA-N 1 2 225.255 1.966 20 0 BDADLO CCCCCOC(=O)N(CC)C1C[NH+](C)C1 ZINC001193764238 981447689 /nfs/dbraw/zinc/44/76/89/981447689.db2.gz HMQBEFHMMLNWRS-UHFFFAOYSA-N 1 2 228.336 1.949 20 0 BDADLO C[C@H](C(=O)NC1=NC[C@H](C)S1)n1cc[nH+]c1 ZINC001348979752 981492099 /nfs/dbraw/zinc/49/20/99/981492099.db2.gz ROPCPHLDRWHZSR-JGVFFNPUSA-N 1 2 238.316 1.052 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH+]ccn3CC2)[nH]1 ZINC001193904857 981508364 /nfs/dbraw/zinc/50/83/64/981508364.db2.gz BPNJDRCMTBAIAN-UHFFFAOYSA-N 1 2 244.298 1.218 20 0 BDADLO C=C/C=C/CCNC(=O)CCc1[nH+]ccn1C ZINC001349157522 981514346 /nfs/dbraw/zinc/51/43/46/981514346.db2.gz MUBZEDTUXPUTAS-SNAWJCMRSA-N 1 2 233.315 1.601 20 0 BDADLO COc1cc(/C(C)=C/C=C/[NH3+])cnc1OC ZINC001240621525 981517413 /nfs/dbraw/zinc/51/74/13/981517413.db2.gz YOCVGUWGUJFPQX-REZHQCRGSA-N 1 2 220.272 1.975 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2F)c(C)c[nH+]1 ZINC001349480537 981564185 /nfs/dbraw/zinc/56/41/85/981564185.db2.gz BEZSMYCXOWWQHL-RKDXNWHRSA-N 1 2 208.236 1.417 20 0 BDADLO O=C(CCF)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001349607653 981593355 /nfs/dbraw/zinc/59/33/55/981593355.db2.gz SAFAXSZKDALOPA-UHFFFAOYSA-N 1 2 239.294 1.550 20 0 BDADLO COC1(C[N@@H+]2Cc3cnn(C)c3C2)CCC1 ZINC001349632930 981601670 /nfs/dbraw/zinc/60/16/70/981601670.db2.gz LWGMDBTXOGLQAK-UHFFFAOYSA-N 1 2 221.304 1.305 20 0 BDADLO COC1(C[N@H+]2Cc3cnn(C)c3C2)CCC1 ZINC001349632930 981601682 /nfs/dbraw/zinc/60/16/82/981601682.db2.gz LWGMDBTXOGLQAK-UHFFFAOYSA-N 1 2 221.304 1.305 20 0 BDADLO CCn1nccc1-c1cc[nH+]c2c1CCN2 ZINC001240717930 981736068 /nfs/dbraw/zinc/73/60/68/981736068.db2.gz WNXZUKQSCJMTAZ-UHFFFAOYSA-N 1 2 214.272 1.933 20 0 BDADLO COC/C(C)=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001583150175 981802771 /nfs/dbraw/zinc/80/27/71/981802771.db2.gz IQCNSSGCZPVMKY-JXMROGBWSA-N 1 2 245.282 1.866 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CC12CC2 ZINC001349952224 981823862 /nfs/dbraw/zinc/82/38/62/981823862.db2.gz XEHXLCIXJLBHGM-VIFPVBQESA-N 1 2 219.288 1.021 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnn(C2COC2)c1 ZINC001240784717 981825822 /nfs/dbraw/zinc/82/58/22/981825822.db2.gz OMIJJARZHNCKCV-QIAUARBPSA-N 1 2 205.261 1.330 20 0 BDADLO CO[C@H]1CCC[C@H](c2nnc(C[NH+](C)C)o2)C1 ZINC001349984599 981836928 /nfs/dbraw/zinc/83/69/28/981836928.db2.gz CQMRHHAJCKJBLM-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC=CCC2)c1 ZINC001584478524 981872237 /nfs/dbraw/zinc/87/22/37/981872237.db2.gz OPOWQZQXEQUMON-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO CCN(Cc1ccoc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001584472343 981872281 /nfs/dbraw/zinc/87/22/81/981872281.db2.gz HGTLARCIEXFKEX-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cc1cccc(N(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001584754588 981884487 /nfs/dbraw/zinc/88/44/87/981884487.db2.gz DWDYPZMJHBJIGM-UHFFFAOYSA-N 1 2 229.283 1.924 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CC(C)(F)F ZINC001350501245 981987342 /nfs/dbraw/zinc/98/73/42/981987342.db2.gz ZIRIYAIBHMNVPH-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCF)C1 ZINC001350589930 982009002 /nfs/dbraw/zinc/00/90/02/982009002.db2.gz RDRYKSXWLBLALC-SECBINFHSA-N 1 2 225.267 1.096 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1OC ZINC001587124314 982050533 /nfs/dbraw/zinc/05/05/33/982050533.db2.gz RHJJNKSDKXIEAG-NSHDSACASA-N 1 2 234.299 1.728 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccccc1OC ZINC001587124314 982050544 /nfs/dbraw/zinc/05/05/44/982050544.db2.gz RHJJNKSDKXIEAG-NSHDSACASA-N 1 2 234.299 1.728 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NCCC(F)F ZINC001350787449 982084038 /nfs/dbraw/zinc/08/40/38/982084038.db2.gz YVEHCINPRKLQCA-UHFFFAOYSA-N 1 2 246.261 1.228 20 0 BDADLO CC[C@H](C)OC(=O)N1CCn2c[nH+]cc2C1 ZINC001195108200 982087133 /nfs/dbraw/zinc/08/71/33/982087133.db2.gz JWGMYJPHTAEBHC-VIFPVBQESA-N 1 2 223.276 1.634 20 0 BDADLO Cc1cncc(C(=O)NCCc2[nH+]ccn2C)c1 ZINC000079781835 982106509 /nfs/dbraw/zinc/10/65/09/982106509.db2.gz DKMOEAHVSNIDID-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO C1=C[C@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001588389719 982163788 /nfs/dbraw/zinc/16/37/88/982163788.db2.gz ZEAKGOQKPMPNJD-ZETCQYMHSA-N 1 2 248.315 1.131 20 0 BDADLO CCNC(=S)N(CC)CCn1cc[nH+]c1 ZINC001195338535 982203152 /nfs/dbraw/zinc/20/31/52/982203152.db2.gz HJYXWHUSPMWJAW-UHFFFAOYSA-N 1 2 226.349 1.099 20 0 BDADLO Cc1ccncc1NC(=O)CCc1[nH+]ccn1C ZINC001351154659 982218132 /nfs/dbraw/zinc/21/81/32/982218132.db2.gz YUZMQFSYVJDSET-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO CCc1ncc(C[N@@H+]2CCSC[C@H]2CO)o1 ZINC001351161879 982225775 /nfs/dbraw/zinc/22/57/75/982225775.db2.gz PPQNTZFMUWWKDB-SECBINFHSA-N 1 2 242.344 1.147 20 0 BDADLO CCc1ncc(C[N@H+]2CCSC[C@H]2CO)o1 ZINC001351161879 982225786 /nfs/dbraw/zinc/22/57/86/982225786.db2.gz PPQNTZFMUWWKDB-SECBINFHSA-N 1 2 242.344 1.147 20 0 BDADLO Nc1cc(-c2ccc(-n3ccnc3)nc2)cc[nH+]1 ZINC001241169655 982309696 /nfs/dbraw/zinc/30/96/96/982309696.db2.gz JTAXPXVYMPRMRC-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO Cc1nnc2ccc(-c3cc[nH+]c(N)c3)cn12 ZINC001241169487 982309772 /nfs/dbraw/zinc/30/97/72/982309772.db2.gz BGLXNKUXXCXYBJ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CCn1ccc(-c2cc[nH+]c(N)c2)cc1=O ZINC001241169814 982312977 /nfs/dbraw/zinc/31/29/77/982312977.db2.gz CTQMTJHKFLUTKI-UHFFFAOYSA-N 1 2 215.256 1.512 20 0 BDADLO C[C@H](C(=O)N[C@H]1CO[C@H](C2CC2)C1)n1cc[nH+]c1 ZINC001351652987 982352389 /nfs/dbraw/zinc/35/23/89/982352389.db2.gz LCLIRIGDMSGUCC-JLLWLGSASA-N 1 2 249.314 1.128 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1(C)CC1 ZINC001351657742 982354144 /nfs/dbraw/zinc/35/41/44/982354144.db2.gz RZGHATBSGDSKDI-ZJUUUORDSA-N 1 2 248.330 1.296 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC001250965146 982398430 /nfs/dbraw/zinc/39/84/30/982398430.db2.gz QWWFPGQPEPWFKY-VQVTYTSYSA-N 1 2 215.190 1.342 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](O)C(F)(F)F ZINC001250965146 982398438 /nfs/dbraw/zinc/39/84/38/982398438.db2.gz QWWFPGQPEPWFKY-VQVTYTSYSA-N 1 2 215.190 1.342 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC001250965143 982400745 /nfs/dbraw/zinc/40/07/45/982400745.db2.gz QWWFPGQPEPWFKY-FSDSQADBSA-N 1 2 215.190 1.342 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC001250965143 982400750 /nfs/dbraw/zinc/40/07/50/982400750.db2.gz QWWFPGQPEPWFKY-FSDSQADBSA-N 1 2 215.190 1.342 20 0 BDADLO CN(C)c1cc(N2CCOCC3(CC3)C2)nc[nH+]1 ZINC001352005667 982432785 /nfs/dbraw/zinc/43/27/85/982432785.db2.gz HWBPDNDGVJMODV-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CN(C)c1cc(N2CCOCC3(CC3)C2)[nH+]cn1 ZINC001352005667 982432793 /nfs/dbraw/zinc/43/27/93/982432793.db2.gz HWBPDNDGVJMODV-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CC(C)(CO)COC1C[NH+](Cc2ccccc2)C1 ZINC001205785768 982484011 /nfs/dbraw/zinc/48/40/11/982484011.db2.gz HYWDDRRDADUOKY-UHFFFAOYSA-N 1 2 249.354 1.906 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@H]2CO)[nH+]1 ZINC000081004969 982538942 /nfs/dbraw/zinc/53/89/42/982538942.db2.gz RMJYGKBQKVRNTO-ONGXEEELSA-N 1 2 246.314 1.839 20 0 BDADLO Nc1cc(-c2cnc3n[nH]cc3c2)cc[nH+]1 ZINC001241424522 982572749 /nfs/dbraw/zinc/57/27/49/982572749.db2.gz MLTDNPHNRXQQFJ-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO CNC(=O)c1cc(-c2ccc[nH+]c2N)ccn1 ZINC001241431312 982584617 /nfs/dbraw/zinc/58/46/17/982584617.db2.gz QUYNMEDFLWASAH-UHFFFAOYSA-N 1 2 228.255 1.085 20 0 BDADLO Nc1cc(-c2ccc(-c3nn[nH]n3)cc2)cc[nH+]1 ZINC001241444315 982599908 /nfs/dbraw/zinc/59/99/08/982599908.db2.gz SIHGQMWHQOIDBE-UHFFFAOYSA-N 1 2 238.254 1.511 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001241443713 982600600 /nfs/dbraw/zinc/60/06/00/982600600.db2.gz YICUXNOGWQKLHY-UHFFFAOYSA-N 1 2 226.243 1.267 20 0 BDADLO COc1cccc(C[NH+]2CC(CO)C2)c1F ZINC000160511129 982631562 /nfs/dbraw/zinc/63/15/62/982631562.db2.gz NXUWNNQIKUUFTR-UHFFFAOYSA-N 1 2 225.263 1.258 20 0 BDADLO COCC1([N@H+](C)Cc2cnon2)CCC1 ZINC001352944474 982643021 /nfs/dbraw/zinc/64/30/21/982643021.db2.gz JABCVGXEVDELQX-UHFFFAOYSA-N 1 2 211.265 1.071 20 0 BDADLO COCC1([N@@H+](C)Cc2cnon2)CCC1 ZINC001352944474 982643025 /nfs/dbraw/zinc/64/30/25/982643025.db2.gz JABCVGXEVDELQX-UHFFFAOYSA-N 1 2 211.265 1.071 20 0 BDADLO CCOc1ncc(-c2ccc[nH+]c2N)cn1 ZINC001241551182 982766661 /nfs/dbraw/zinc/76/66/61/982766661.db2.gz BTFQYWMOPMRZCA-UHFFFAOYSA-N 1 2 216.244 1.520 20 0 BDADLO Cc1cnc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)o1 ZINC001353241082 982798556 /nfs/dbraw/zinc/79/85/56/982798556.db2.gz ZUDWNDPRPPTIHX-MNOVXSKESA-N 1 2 239.319 1.504 20 0 BDADLO C[N@@H+]1CCC=C(c2cncc(F)c2C(N)=O)C1 ZINC001241570479 982822051 /nfs/dbraw/zinc/82/20/51/982822051.db2.gz IHXQFAREDGQXPG-UHFFFAOYSA-N 1 2 235.262 1.039 20 0 BDADLO C[N@H+]1CCC=C(c2cncc(F)c2C(N)=O)C1 ZINC001241570479 982822056 /nfs/dbraw/zinc/82/20/56/982822056.db2.gz IHXQFAREDGQXPG-UHFFFAOYSA-N 1 2 235.262 1.039 20 0 BDADLO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1noc(C(F)F)n1 ZINC001353340034 982840642 /nfs/dbraw/zinc/84/06/42/982840642.db2.gz MMZWLHJIIUJWNN-HCWXCVPCSA-N 1 2 235.234 1.427 20 0 BDADLO Cc1ncc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001205859639 982902904 /nfs/dbraw/zinc/90/29/04/982902904.db2.gz DKIIGDXXYLLIEQ-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO O=C(CCl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082276946 982958341 /nfs/dbraw/zinc/95/83/41/982958341.db2.gz IDNAFZXFHDTCPY-MRVPVSSYSA-N 1 2 227.695 1.355 20 0 BDADLO O=C(C1=CC=CC1)N1CCc2[nH+]ccn2CC1 ZINC001199694124 982995774 /nfs/dbraw/zinc/99/57/74/982995774.db2.gz VTHZAQPHPSCHPD-UHFFFAOYSA-N 1 2 229.283 1.154 20 0 BDADLO Nc1n[nH]c2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001241722313 983002832 /nfs/dbraw/zinc/00/28/32/983002832.db2.gz GVBKCERELWQCCY-UHFFFAOYSA-N 1 2 225.255 1.789 20 0 BDADLO CCCCNC(=S)Nc1c[nH+]c(C)n1C ZINC001200447840 983002823 /nfs/dbraw/zinc/00/28/23/983002823.db2.gz LGPQRLKICANHLU-UHFFFAOYSA-N 1 2 226.349 1.815 20 0 BDADLO Cc1[nH+]cc(NC(=S)Nc2cccnc2)n1C ZINC001199891816 983032412 /nfs/dbraw/zinc/03/24/12/983032412.db2.gz VDTYULMSCQXGGV-UHFFFAOYSA-N 1 2 247.327 1.932 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nccs1 ZINC001199941275 983049515 /nfs/dbraw/zinc/04/95/15/983049515.db2.gz HUOYTJVBVABIAK-YPMHNXCESA-N 1 2 246.335 1.891 20 0 BDADLO CCc1ccc(N2CCC(NC(C)=O)CC2)[nH+]c1 ZINC001354100004 983152031 /nfs/dbraw/zinc/15/20/31/983152031.db2.gz NJNQAYKVVUIRPM-UHFFFAOYSA-N 1 2 247.342 1.749 20 0 BDADLO Nc1ccc(Nc2cccc3c2CNC3=O)c[nH+]1 ZINC001201284146 983158594 /nfs/dbraw/zinc/15/85/94/983158594.db2.gz KNFAOSOTGFILDO-UHFFFAOYSA-N 1 2 240.266 1.651 20 0 BDADLO Cn1nc2c(c1Nc1ccc(N)[nH+]c1)CCC2 ZINC001201272891 983175232 /nfs/dbraw/zinc/17/52/32/983175232.db2.gz VZIGHHBVJQHNMZ-UHFFFAOYSA-N 1 2 229.287 1.630 20 0 BDADLO Cc1cc(F)cc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]1 ZINC001354199151 983190621 /nfs/dbraw/zinc/19/06/21/983190621.db2.gz MSTBGUYDQJAEIB-URLYPYJESA-N 1 2 222.263 1.204 20 0 BDADLO CNC(=S)Nc1cccn2c(C)c(C)[nH+]c12 ZINC001200600283 983202045 /nfs/dbraw/zinc/20/20/45/983202045.db2.gz HOLNECKYIGJJPU-UHFFFAOYSA-N 1 2 234.328 1.867 20 0 BDADLO Cc1cc(-c2[nH]cc[nH+]2)cc2c1OCC(=O)N2 ZINC001242019928 983225974 /nfs/dbraw/zinc/22/59/74/983225974.db2.gz NPVRYNKLMSNHCS-UHFFFAOYSA-N 1 2 229.239 1.716 20 0 BDADLO COc1nc(C(C)C)ccc1[NH+]=c1nc[nH]n1C ZINC001201431595 983227528 /nfs/dbraw/zinc/22/75/28/983227528.db2.gz MOKRWPLGTYTWCW-UHFFFAOYSA-N 1 2 247.302 1.508 20 0 BDADLO Cc1nc(N[C@H](CO)c2ccccn2)cc[nH+]1 ZINC001354267202 983243694 /nfs/dbraw/zinc/24/36/94/983243694.db2.gz WWICUIDKUMOORO-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO CC(C)n1c[nH+]cc1CNC(=S)NC1CC1 ZINC001200636607 983289574 /nfs/dbraw/zinc/28/95/74/983289574.db2.gz LRNZMBRVBVXRQJ-UHFFFAOYSA-N 1 2 238.360 1.591 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCOC1CC1 ZINC001354459076 983309076 /nfs/dbraw/zinc/30/90/76/983309076.db2.gz CBKWGGUBYSAYOY-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCOC1CC1 ZINC001354459076 983309081 /nfs/dbraw/zinc/30/90/81/983309081.db2.gz CBKWGGUBYSAYOY-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ccc(F)nn1 ZINC001242072857 983310102 /nfs/dbraw/zinc/31/01/02/983310102.db2.gz SARCMVGTWNOZKB-UHFFFAOYSA-N 1 2 204.208 1.568 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=S)NC(C)C ZINC001200783703 983364647 /nfs/dbraw/zinc/36/46/47/983364647.db2.gz CEEMHCYWQNOBGE-UHFFFAOYSA-N 1 2 240.376 1.488 20 0 BDADLO COc1ccc(-c2c[nH+]cn2C)cc1O ZINC001242173776 983389871 /nfs/dbraw/zinc/38/98/71/983389871.db2.gz NMSZDAUWXGSHEL-UHFFFAOYSA-N 1 2 204.229 1.801 20 0 BDADLO C[C@@]1(O)CC[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202307628 983619785 /nfs/dbraw/zinc/61/97/85/983619785.db2.gz JEMSJIDELQYJSE-JGVFFNPUSA-N 1 2 229.217 1.734 20 0 BDADLO C[C@@]1(O)CC[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202307628 983619795 /nfs/dbraw/zinc/61/97/95/983619795.db2.gz JEMSJIDELQYJSE-JGVFFNPUSA-N 1 2 229.217 1.734 20 0 BDADLO COc1cccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001137528792 983632840 /nfs/dbraw/zinc/63/28/40/983632840.db2.gz UFZCXGQWTXSFEN-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1cccc(C[N@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001137528792 983632847 /nfs/dbraw/zinc/63/28/47/983632847.db2.gz UFZCXGQWTXSFEN-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO FC(F)(F)CC[N@@H+]1CCOC2(CC2)C1 ZINC001202355944 983635526 /nfs/dbraw/zinc/63/55/26/983635526.db2.gz GNPJBZMOFLZCHO-UHFFFAOYSA-N 1 2 209.211 1.804 20 0 BDADLO FC(F)(F)CC[N@H+]1CCOC2(CC2)C1 ZINC001202355944 983635529 /nfs/dbraw/zinc/63/55/29/983635529.db2.gz GNPJBZMOFLZCHO-UHFFFAOYSA-N 1 2 209.211 1.804 20 0 BDADLO FC[C@H]1CC[N@H+](C[C@H]2CCOC2)CC1(F)F ZINC001202465391 983674144 /nfs/dbraw/zinc/67/41/44/983674144.db2.gz RWFFMTRQVMJFQL-NXEZZACHSA-N 1 2 237.265 1.950 20 0 BDADLO FC[C@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(F)F ZINC001202465391 983674149 /nfs/dbraw/zinc/67/41/49/983674149.db2.gz RWFFMTRQVMJFQL-NXEZZACHSA-N 1 2 237.265 1.950 20 0 BDADLO CCC[C@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001252770415 983873058 /nfs/dbraw/zinc/87/30/58/983873058.db2.gz BTDNHDQSBNSUQK-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cnoc2C)cc1 ZINC001242603799 983961442 /nfs/dbraw/zinc/96/14/42/983961442.db2.gz OCQHUNPJXUAOHV-LBPRGKRZSA-N 1 2 246.266 1.823 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001570900765 984029780 /nfs/dbraw/zinc/02/97/80/984029780.db2.gz YARZIOZENDNKHA-IJLUTSLNSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001570900765 984029787 /nfs/dbraw/zinc/02/97/87/984029787.db2.gz YARZIOZENDNKHA-IJLUTSLNSA-N 1 2 249.314 1.026 20 0 BDADLO CC(C)c1nnc(C[NH2+]Cc2cccnc2)[nH]1 ZINC001202554843 984050740 /nfs/dbraw/zinc/05/07/40/984050740.db2.gz WMKNNVYGVDYGPG-UHFFFAOYSA-N 1 2 231.303 1.613 20 0 BDADLO C[NH2+]CC(=O)OCc1ccc(Cl)c(OC)c1 ZINC001573895711 984052552 /nfs/dbraw/zinc/05/25/52/984052552.db2.gz ODIQAOPRVGAEEZ-UHFFFAOYSA-N 1 2 243.690 1.611 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC001545802145 984172177 /nfs/dbraw/zinc/17/21/77/984172177.db2.gz LZBAFUDOYKVXLK-NXEZZACHSA-N 1 2 235.331 1.765 20 0 BDADLO CCc1onc(C)c1NC(=O)Cc1[nH]c[nH+]c1C ZINC001545804256 984177169 /nfs/dbraw/zinc/17/71/69/984177169.db2.gz HGLXMXCIWASEDV-UHFFFAOYSA-N 1 2 248.286 1.758 20 0 BDADLO CNC(=O)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001240566865 984319240 /nfs/dbraw/zinc/31/92/40/984319240.db2.gz SSJOEGLCGVWOIE-UHFFFAOYSA-N 1 2 227.267 1.690 20 0 BDADLO C/C=C(/CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001436620122 984334244 /nfs/dbraw/zinc/33/42/44/984334244.db2.gz RQZXTLPSLKSBRA-WMZJFQQLSA-N 1 2 221.304 1.435 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ncccn1 ZINC001439224013 984384039 /nfs/dbraw/zinc/38/40/39/984384039.db2.gz LLLRUDCIXJGGRT-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO COC(=O)c1cc(-c2c[nH+]cn2C)ccn1 ZINC001243066444 984478501 /nfs/dbraw/zinc/47/85/01/984478501.db2.gz FNBNWHYCVHUZIN-UHFFFAOYSA-N 1 2 217.228 1.269 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2nnn(C)c2c1 ZINC001243067783 984485941 /nfs/dbraw/zinc/48/59/41/984485941.db2.gz QKDHWFDDNNETIC-UHFFFAOYSA-N 1 2 213.244 1.369 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CCNC2=O ZINC001243068407 984489292 /nfs/dbraw/zinc/48/92/92/984489292.db2.gz WDLXDQNSZRJEIX-UHFFFAOYSA-N 1 2 227.267 1.373 20 0 BDADLO CCOC(=O)Cc1cc(-c2c[nH+]cn2C)ccn1 ZINC001243070726 984495399 /nfs/dbraw/zinc/49/53/99/984495399.db2.gz WZICKGJVDVWFBL-UHFFFAOYSA-N 1 2 245.282 1.588 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)c1nccs1 ZINC001443407200 984524087 /nfs/dbraw/zinc/52/40/87/984524087.db2.gz LWFFEJVQZHSIIB-UHFFFAOYSA-N 1 2 236.300 1.380 20 0 BDADLO CC[N@@H+](CCc1c[nH+]cn1C)C1CC[NH2+]CC1 ZINC001577731728 984687233 /nfs/dbraw/zinc/68/72/33/984687233.db2.gz ZUGPADYXLIJMRE-UHFFFAOYSA-N 1 2 236.363 1.037 20 0 BDADLO COc1ccc(C[NH+]2CC3(CCN3C)C2)cc1 ZINC001275835135 984687751 /nfs/dbraw/zinc/68/77/51/984687751.db2.gz MNCWZYPHFPOTAU-UHFFFAOYSA-N 1 2 232.327 1.585 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001278362644 984830702 /nfs/dbraw/zinc/83/07/02/984830702.db2.gz GJCNNAMHHIDJAC-ONGXEEELSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001278362644 984830706 /nfs/dbraw/zinc/83/07/06/984830706.db2.gz GJCNNAMHHIDJAC-ONGXEEELSA-N 1 2 248.367 1.288 20 0 BDADLO C[C@H](CCCCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001450004357 984855808 /nfs/dbraw/zinc/85/58/08/984855808.db2.gz LQWZJSTVKPGJQJ-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO C[C@@H](CCCCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001450004356 984857157 /nfs/dbraw/zinc/85/71/57/984857157.db2.gz LQWZJSTVKPGJQJ-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccsc2)C[C@H]1F ZINC000886023849 984877989 /nfs/dbraw/zinc/87/79/89/984877989.db2.gz XAJJNJFBFPTKGE-NXEZZACHSA-N 1 2 215.293 1.653 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1F ZINC000886023849 984877991 /nfs/dbraw/zinc/87/79/91/984877991.db2.gz XAJJNJFBFPTKGE-NXEZZACHSA-N 1 2 215.293 1.653 20 0 BDADLO CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(F)(F)F ZINC001578232622 984882080 /nfs/dbraw/zinc/88/20/80/984882080.db2.gz GFNZPODZACIUQP-UHNVWZDZSA-N 1 2 248.195 1.426 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(CO)cc1 ZINC001452442224 984932540 /nfs/dbraw/zinc/93/25/40/984932540.db2.gz UIPBXMOEGCHDDZ-GFCCVEGCSA-N 1 2 234.299 1.212 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(CO)cc1 ZINC001452442224 984932556 /nfs/dbraw/zinc/93/25/56/984932556.db2.gz UIPBXMOEGCHDDZ-GFCCVEGCSA-N 1 2 234.299 1.212 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257417090 984978106 /nfs/dbraw/zinc/97/81/06/984978106.db2.gz XAEIQTGEEGYLEL-AAEUAGOBSA-N 1 2 243.347 1.877 20 0 BDADLO CNC(=O)c1ccc(-c2ccc[nH+]c2N)cc1F ZINC001243472923 985019503 /nfs/dbraw/zinc/01/95/03/985019503.db2.gz CLMYWMNYVQKMNC-UHFFFAOYSA-N 1 2 245.257 1.830 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)C(=O)NCC2 ZINC001243473738 985022523 /nfs/dbraw/zinc/02/25/23/985022523.db2.gz FPZUBMUBSGSKCS-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO Cc1nc2ccc(-c3ccc[nH+]c3N)cn2n1 ZINC001243474730 985028675 /nfs/dbraw/zinc/02/86/75/985028675.db2.gz QBFLUMUDXULKHJ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2c(c1)OCCO2 ZINC001243474862 985030356 /nfs/dbraw/zinc/03/03/56/985030356.db2.gz SXHYZZNDIGEUSV-UHFFFAOYSA-N 1 2 229.239 1.497 20 0 BDADLO COCCOc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243476504 985034907 /nfs/dbraw/zinc/03/49/07/985034907.db2.gz BSUVKGWHOPSFCQ-UHFFFAOYSA-N 1 2 245.282 1.751 20 0 BDADLO COC(=O)c1cncc(-c2ccc[nH+]c2N)c1C ZINC001243477446 985035399 /nfs/dbraw/zinc/03/53/99/985035399.db2.gz PBQNRORRAUCPRD-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC001589445746 985188076 /nfs/dbraw/zinc/18/80/76/985188076.db2.gz WEOGJWQCLCICBC-VHSXEESVSA-N 1 2 237.303 1.073 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC001589445746 985188084 /nfs/dbraw/zinc/18/80/84/985188084.db2.gz WEOGJWQCLCICBC-VHSXEESVSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@H](C(=O)NN1C[C@@H]2CCC[C@H]2C1)n1cc[nH+]c1 ZINC001457416735 985212247 /nfs/dbraw/zinc/21/22/47/985212247.db2.gz ICKAYNVZYFTLMI-WOPDTQHZSA-N 1 2 248.330 1.207 20 0 BDADLO C[N@@H+]1CCN(CCCc2ccccc2)C[C@@H]1CO ZINC000687598085 985340010 /nfs/dbraw/zinc/34/00/10/985340010.db2.gz YTSQQKBNTPHEDC-OAHLLOKOSA-N 1 2 248.370 1.228 20 0 BDADLO C[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CO ZINC000687598085 985340025 /nfs/dbraw/zinc/34/00/25/985340025.db2.gz YTSQQKBNTPHEDC-OAHLLOKOSA-N 1 2 248.370 1.228 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000190278690 985454740 /nfs/dbraw/zinc/45/47/40/985454740.db2.gz MDYZFUYCNIOSID-SNVBAGLBSA-N 1 2 229.320 1.628 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000190278690 985454769 /nfs/dbraw/zinc/45/47/69/985454769.db2.gz MDYZFUYCNIOSID-SNVBAGLBSA-N 1 2 229.320 1.628 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@@H]1CCCOC1 ZINC001459575637 985532999 /nfs/dbraw/zinc/53/29/99/985532999.db2.gz BBICHAYZOAPXFP-ZJUUUORDSA-N 1 2 241.360 1.958 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC001459575637 985533013 /nfs/dbraw/zinc/53/30/13/985533013.db2.gz BBICHAYZOAPXFP-ZJUUUORDSA-N 1 2 241.360 1.958 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccnc(N2CCOCC2)c1 ZINC001243901608 985590059 /nfs/dbraw/zinc/59/00/59/985590059.db2.gz FDXSFISSAARVSB-FDXHQUMFSA-N 1 2 245.326 1.794 20 0 BDADLO C/C(=C\C=C\N)c1cc[nH+]c(N2CCOCC2)c1 ZINC001243901608 985590065 /nfs/dbraw/zinc/59/00/65/985590065.db2.gz FDXSFISSAARVSB-FDXHQUMFSA-N 1 2 245.326 1.794 20 0 BDADLO c1cc2c(c(C3=C[NH2+]CCC3)n1)CCN2 ZINC001243947093 985623840 /nfs/dbraw/zinc/62/38/40/985623840.db2.gz DMNIKDGOCPLQKA-UHFFFAOYSA-N 1 2 201.273 1.774 20 0 BDADLO c1nc(C2=C[NH2+]CCC2)cc(N2CCCC2)n1 ZINC001243948679 985627401 /nfs/dbraw/zinc/62/74/01/985627401.db2.gz CTIMMKXOPJLHGP-UHFFFAOYSA-N 1 2 230.315 1.801 20 0 BDADLO CN(C)C(=O)c1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243949095 985637684 /nfs/dbraw/zinc/63/76/84/985637684.db2.gz QDMORIWBUKFGLA-UHFFFAOYSA-N 1 2 231.299 1.508 20 0 BDADLO Fc1cnc(C2=C[NH2+]CCC2)c2nccnc12 ZINC001243950094 985645437 /nfs/dbraw/zinc/64/54/37/985645437.db2.gz URMYCAGCFQWVDT-UHFFFAOYSA-N 1 2 230.246 1.888 20 0 BDADLO CSCC[C@H](C)[N@@H+]1CCCC(=O)C1 ZINC001258221440 985656838 /nfs/dbraw/zinc/65/68/38/985656838.db2.gz DTQFHRYCHWKMFZ-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CSCC[C@H](C)[N@H+]1CCCC(=O)C1 ZINC001258221440 985656847 /nfs/dbraw/zinc/65/68/47/985656847.db2.gz DTQFHRYCHWKMFZ-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO O=C(NCC[N@H+]1CCC=C(Cl)C1)C1CC1 ZINC001460374553 985843892 /nfs/dbraw/zinc/84/38/92/985843892.db2.gz FHVLEQUTJLUREZ-UHFFFAOYSA-N 1 2 228.723 1.341 20 0 BDADLO O=C(NCC[N@@H+]1CCC=C(Cl)C1)C1CC1 ZINC001460374553 985843899 /nfs/dbraw/zinc/84/38/99/985843899.db2.gz FHVLEQUTJLUREZ-UHFFFAOYSA-N 1 2 228.723 1.341 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3ccnn32)C[C@H](C)O1 ZINC001138804318 985855556 /nfs/dbraw/zinc/85/55/56/985855556.db2.gz GBJKUOFAMHHAGE-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3ccnn32)C[C@H](C)O1 ZINC001138804318 985855560 /nfs/dbraw/zinc/85/55/60/985855560.db2.gz GBJKUOFAMHHAGE-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1ncsc1C[NH2+]Cc1nnc2n1CCC2 ZINC001461025200 986003554 /nfs/dbraw/zinc/00/35/54/986003554.db2.gz WARIPAUBWNYKQH-UHFFFAOYSA-N 1 2 249.343 1.279 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001138938927 986034386 /nfs/dbraw/zinc/03/43/86/986034386.db2.gz AKCGZUDHPHGRNT-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001138938927 986034396 /nfs/dbraw/zinc/03/43/96/986034396.db2.gz AKCGZUDHPHGRNT-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO CCCn1c[nH+]cc1CN1C[C@@H](C)OC[C@H]1C ZINC001461887798 986214045 /nfs/dbraw/zinc/21/40/45/986214045.db2.gz KPJVTXKGJYHISB-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)(C)OC(=O)[C@@H](O)CNc1cccc[nH+]1 ZINC001253667833 986297072 /nfs/dbraw/zinc/29/70/72/986297072.db2.gz UQBLXGWNGACYNK-VIFPVBQESA-N 1 2 238.287 1.196 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(N)s2)[nH]1 ZINC001579896591 986314411 /nfs/dbraw/zinc/31/44/11/986314411.db2.gz FKXIOLFFEUZEDG-RXMQYKEDSA-N 1 2 238.320 1.003 20 0 BDADLO CCCn1c[nH+]cc1CN1CC(OCC)C1 ZINC001462314087 986344744 /nfs/dbraw/zinc/34/47/44/986344744.db2.gz GJCJPSAPNOSYTR-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)[nH+]cn2)C[C@H](C)O1 ZINC000689161162 986357774 /nfs/dbraw/zinc/35/77/74/986357774.db2.gz QLAUXNIQQIJJCZ-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)nc[nH+]2)C[C@H](C)O1 ZINC000689161162 986357785 /nfs/dbraw/zinc/35/77/85/986357785.db2.gz QLAUXNIQQIJJCZ-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO CC(C)[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001253756910 986378518 /nfs/dbraw/zinc/37/85/18/986378518.db2.gz LGVQTZFDUINYGF-GXSJLCMTSA-N 1 2 224.304 1.564 20 0 BDADLO COc1ccc(-c2cccc(N)[nH+]2)cc1N ZINC001244892756 986422834 /nfs/dbraw/zinc/42/28/34/986422834.db2.gz NUBIJZJUBKZVJM-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO CC(C)(C)OC(=O)C[NH+]1CCC(F)CC1 ZINC000689453628 986615080 /nfs/dbraw/zinc/61/50/80/986615080.db2.gz IJLCQGODYJRYPL-UHFFFAOYSA-N 1 2 217.284 1.762 20 0 BDADLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N)no1 ZINC001464901027 986674853 /nfs/dbraw/zinc/67/48/53/986674853.db2.gz BYTYCAAWEAPVGF-UHFFFAOYSA-N 1 2 247.258 1.282 20 0 BDADLO COCn1cc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001245222167 986747296 /nfs/dbraw/zinc/74/72/96/986747296.db2.gz HJKRBKJCLCMTBS-UHFFFAOYSA-N 1 2 230.271 1.517 20 0 BDADLO Cc1cc(-c2cnn(CCO)c2)cn2cc[nH+]c12 ZINC001206578091 986767295 /nfs/dbraw/zinc/76/72/95/986767295.db2.gz YGKPSAOIEKMUBF-UHFFFAOYSA-N 1 2 242.282 1.499 20 0 BDADLO CO[C@H]1C[N@H+](Cc2[nH]c(C)cc2C)C[C@@H]1F ZINC001137322737 986773236 /nfs/dbraw/zinc/77/32/36/986773236.db2.gz ORBZXWBXVBAJBE-JQWIXIFHSA-N 1 2 226.295 1.800 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2[nH]c(C)cc2C)C[C@@H]1F ZINC001137322737 986773245 /nfs/dbraw/zinc/77/32/45/986773245.db2.gz ORBZXWBXVBAJBE-JQWIXIFHSA-N 1 2 226.295 1.800 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCn3nncc3C2)[nH]1 ZINC001137331124 986788462 /nfs/dbraw/zinc/78/84/62/986788462.db2.gz QJQHUTSBZJBEBE-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCn3nncc3C2)[nH]1 ZINC001137331124 986788472 /nfs/dbraw/zinc/78/84/72/986788472.db2.gz QJQHUTSBZJBEBE-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001580371179 986797998 /nfs/dbraw/zinc/79/79/98/986797998.db2.gz MXURKHVABLERFO-FSDSQADBSA-N 1 2 242.216 1.273 20 0 BDADLO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001580371179 986798006 /nfs/dbraw/zinc/79/80/06/986798006.db2.gz MXURKHVABLERFO-FSDSQADBSA-N 1 2 242.216 1.273 20 0 BDADLO O=C([C@@H]1[NH2+]CCc2occc21)N1CCCCO1 ZINC001580488392 986876263 /nfs/dbraw/zinc/87/62/63/986876263.db2.gz DWMSURPLIKKUTB-LLVKDONJSA-N 1 2 236.271 1.020 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC001137407328 986883396 /nfs/dbraw/zinc/88/33/96/986883396.db2.gz KKPLBACTNCMBLJ-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3cncnc3)C2)C1 ZINC001137669357 986891014 /nfs/dbraw/zinc/89/10/14/986891014.db2.gz OYXCZZCOPKIKIX-SNVBAGLBSA-N 1 2 239.319 1.506 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137471090 986917090 /nfs/dbraw/zinc/91/70/90/986917090.db2.gz XASQOERSGXXXIO-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137471090 986917098 /nfs/dbraw/zinc/91/70/98/986917098.db2.gz XASQOERSGXXXIO-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO Cc1cc(-c2cnc3[nH]cnc3c2)c[nH+]c1N ZINC001245538064 986919781 /nfs/dbraw/zinc/91/97/81/986919781.db2.gz WAQVUWOFZLINKA-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(F)F ZINC001468857719 986942826 /nfs/dbraw/zinc/94/28/26/986942826.db2.gz QANGZQRNSWDGIU-JGVFFNPUSA-N 1 2 243.257 1.215 20 0 BDADLO O=C(NC[C@@H]1CC[NH2+]1)c1cccc(Cl)c1O ZINC001580661279 986979034 /nfs/dbraw/zinc/97/90/34/986979034.db2.gz OMWQHZNOBLWVGO-ZETCQYMHSA-N 1 2 240.690 1.137 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001255576422 987028680 /nfs/dbraw/zinc/02/86/80/987028680.db2.gz YFYYFNSPLJPLNU-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO COC[C@@H](C)[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001255576422 987028696 /nfs/dbraw/zinc/02/86/96/987028696.db2.gz YFYYFNSPLJPLNU-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO COc1cc(O)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001471868404 987138054 /nfs/dbraw/zinc/13/80/54/987138054.db2.gz LOSCKJDNYXCWBZ-UHFFFAOYSA-N 1 2 247.254 1.305 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C/SC)c[nH+]1 ZINC001472018623 987162803 /nfs/dbraw/zinc/16/28/03/987162803.db2.gz ISJDWRUZVYDFTC-SNAWJCMRSA-N 1 2 225.317 1.465 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=CSC)[nH+]1 ZINC001472018623 987162822 /nfs/dbraw/zinc/16/28/22/987162822.db2.gz ISJDWRUZVYDFTC-SNAWJCMRSA-N 1 2 225.317 1.465 20 0 BDADLO CCc1[nH]c(CNC(=O)C(C)=C(C)C)c[nH+]1 ZINC001472019022 987164332 /nfs/dbraw/zinc/16/43/32/987164332.db2.gz RGXOPODJPBXHEW-UHFFFAOYSA-N 1 2 221.304 1.945 20 0 BDADLO CCc1[nH]cc(CNC(=O)C(C)=C(C)C)[nH+]1 ZINC001472019022 987164351 /nfs/dbraw/zinc/16/43/51/987164351.db2.gz RGXOPODJPBXHEW-UHFFFAOYSA-N 1 2 221.304 1.945 20 0 BDADLO Cc1csc(-n2[nH]c(C3C[NH2+]C3)cc2=O)n1 ZINC001245927328 987179719 /nfs/dbraw/zinc/17/97/19/987179719.db2.gz OMXGYQQJAFWEMU-UHFFFAOYSA-N 1 2 236.300 1.030 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1Cc1ccccc1 ZINC001245928089 987184900 /nfs/dbraw/zinc/18/49/00/987184900.db2.gz ZUACSLPHLLEUIE-UHFFFAOYSA-N 1 2 229.283 1.324 20 0 BDADLO Cc1nc(NCCN(C)C(=O)[C@H]2C[C@H]2C)cc[nH+]1 ZINC001101492468 987186414 /nfs/dbraw/zinc/18/64/14/987186414.db2.gz FIDJPHYCVRNBFF-KOLCDFICSA-N 1 2 248.330 1.311 20 0 BDADLO CCC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001103837420 987256950 /nfs/dbraw/zinc/25/69/50/987256950.db2.gz QGSWMQKOOKNDIG-SECBINFHSA-N 1 2 236.319 1.359 20 0 BDADLO Cc1cncnc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001472887325 987298824 /nfs/dbraw/zinc/29/88/24/987298824.db2.gz VBAWQOYZIAQTFF-UHFFFAOYSA-N 1 2 243.314 1.999 20 0 BDADLO OC[C@@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000699663511 987376724 /nfs/dbraw/zinc/37/67/24/987376724.db2.gz KPSSRKJIWQIULE-SNVBAGLBSA-N 1 2 224.279 1.820 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)OC[C@H]1C)n1cc[nH+]c1 ZINC001115900434 987410348 /nfs/dbraw/zinc/41/03/48/987410348.db2.gz DLMRSPUWEPSPRX-MXWKQRLJSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1noc(C)c1CN(C)c1cc(N)nc[nH+]1 ZINC001115993356 987424085 /nfs/dbraw/zinc/42/40/85/987424085.db2.gz ZUCHWMMTVIWOLD-UHFFFAOYSA-N 1 2 233.275 1.300 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2csnn2)C[C@@H]1C ZINC001473485416 987451181 /nfs/dbraw/zinc/45/11/81/987451181.db2.gz JZSBEUWSEPIYAB-ATZCPNFKSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2csnn2)C[C@@H]1C ZINC001473485416 987451186 /nfs/dbraw/zinc/45/11/86/987451186.db2.gz JZSBEUWSEPIYAB-ATZCPNFKSA-N 1 2 241.360 1.956 20 0 BDADLO CC(C)c1ncc(C(=O)NCCc2[nH]cc[nH+]2)[nH]1 ZINC001116183528 987468497 /nfs/dbraw/zinc/46/84/97/987468497.db2.gz ZSJAIHMOLUCSDA-UHFFFAOYSA-N 1 2 247.302 1.229 20 0 BDADLO C[C@H]([C@H](C)O)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585445 987496442 /nfs/dbraw/zinc/49/64/42/987496442.db2.gz YDXJGYUNWHPMLP-SFYZADRCSA-N 1 2 241.722 1.257 20 0 BDADLO C[C@H]([C@H](C)O)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585445 987496454 /nfs/dbraw/zinc/49/64/54/987496454.db2.gz YDXJGYUNWHPMLP-SFYZADRCSA-N 1 2 241.722 1.257 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnc(C)n1C)c1cnn(C)c1 ZINC001116294819 987510397 /nfs/dbraw/zinc/51/03/97/987510397.db2.gz UGZQEEQIEHFLNG-LLVKDONJSA-N 1 2 248.334 1.098 20 0 BDADLO C[C@H](C(=O)Nc1cccc(O)c1)n1cc[nH+]c1 ZINC001116345296 987524284 /nfs/dbraw/zinc/52/42/84/987524284.db2.gz OIOXBQRCRNBHQQ-SECBINFHSA-N 1 2 231.255 1.788 20 0 BDADLO C[C@@H](O)CCC[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473797451 987563411 /nfs/dbraw/zinc/56/34/11/987563411.db2.gz POUIVWDLXVLALM-WDEREUQCSA-N 1 2 237.347 1.565 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473797451 987563417 /nfs/dbraw/zinc/56/34/17/987563417.db2.gz POUIVWDLXVLALM-WDEREUQCSA-N 1 2 237.347 1.565 20 0 BDADLO C[C@H](C(=O)N1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001116479024 987597855 /nfs/dbraw/zinc/59/78/55/987597855.db2.gz CUPRHVCVJNJEJD-MRVPVSSYSA-N 1 2 229.230 1.312 20 0 BDADLO CC(C)(O)[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2)CC1 ZINC001246218211 987615874 /nfs/dbraw/zinc/61/58/74/987615874.db2.gz PNLKVXIVFASYGM-AVGNSLFASA-N 1 2 240.391 1.658 20 0 BDADLO C[C@H](C(=O)N[C@]1(C)CCO[C@@H]1C)n1cc[nH+]c1 ZINC001116567232 987628549 /nfs/dbraw/zinc/62/85/49/987628549.db2.gz KABAOKQRDCHZCE-CKYFFXLPSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@H](C(=O)N1CCc2ccncc21)n1cc[nH+]c1 ZINC001116584679 987636828 /nfs/dbraw/zinc/63/68/28/987636828.db2.gz JHEUXZUYHJVACQ-SNVBAGLBSA-N 1 2 242.282 1.428 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cncc(C)c2)n1 ZINC001474096238 987644799 /nfs/dbraw/zinc/64/47/99/987644799.db2.gz QXKYAFUMLDTZSK-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cccnc2)c1F ZINC001474215039 987661352 /nfs/dbraw/zinc/66/13/52/987661352.db2.gz WOBILDIKEJEXDV-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC001116771980 987703966 /nfs/dbraw/zinc/70/39/66/987703966.db2.gz XMBHPQFIXJAPLS-WDEREUQCSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1nncn1C ZINC001116896784 987752320 /nfs/dbraw/zinc/75/23/20/987752320.db2.gz APINLUGDRHMJLA-UHFFFAOYSA-N 1 2 248.334 1.191 20 0 BDADLO C[N@@H+](Cc1ncccc1F)CC1=CCCOC1 ZINC001474618959 987780400 /nfs/dbraw/zinc/78/04/00/987780400.db2.gz JOIIMPZUWLNNCK-UHFFFAOYSA-N 1 2 236.290 1.999 20 0 BDADLO C[N@H+](Cc1ncccc1F)CC1=CCCOC1 ZINC001474618959 987780403 /nfs/dbraw/zinc/78/04/03/987780403.db2.gz JOIIMPZUWLNNCK-UHFFFAOYSA-N 1 2 236.290 1.999 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nnc(-c3ccncc3)o2)C1 ZINC001117166837 987791749 /nfs/dbraw/zinc/79/17/49/987791749.db2.gz HAXJMWZEORLFHF-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nnc(-c3ccncc3)o2)C1 ZINC001117166837 987791755 /nfs/dbraw/zinc/79/17/55/987791755.db2.gz HAXJMWZEORLFHF-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[C@@H]1CC[C@H](CCc2nnc(C[NH+](C)C)o2)O1 ZINC001117260486 987813284 /nfs/dbraw/zinc/81/32/84/987813284.db2.gz LYRWPBMBAPQIEB-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@H]1CC[C@H](CCc2nnc(C[NH+](C)C)o2)O1 ZINC001117260545 987814718 /nfs/dbraw/zinc/81/47/18/987814718.db2.gz LYRWPBMBAPQIEB-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@H](CC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC001117652167 987854339 /nfs/dbraw/zinc/85/43/39/987854339.db2.gz ZJZOVODITRBRKJ-SNVBAGLBSA-N 1 2 233.315 1.662 20 0 BDADLO CC(C)Cc1nnc(Cn2cc[nH+]c2)o1 ZINC001117690937 987864611 /nfs/dbraw/zinc/86/46/11/987864611.db2.gz GQYKPYBNKRMDRT-UHFFFAOYSA-N 1 2 206.249 1.513 20 0 BDADLO CCn1ncc(C[N@@H+]2CC(C)(C)C2(C)C)n1 ZINC001117813069 987933424 /nfs/dbraw/zinc/93/34/24/987933424.db2.gz FEXSNVNGJUSJJY-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CCn1ncc(C[N@H+]2CC(C)(C)C2(C)C)n1 ZINC001117813069 987933429 /nfs/dbraw/zinc/93/34/29/987933429.db2.gz FEXSNVNGJUSJJY-UHFFFAOYSA-N 1 2 222.336 1.918 20 0 BDADLO CC(C)[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001480463633 987985400 /nfs/dbraw/zinc/98/54/00/987985400.db2.gz GPTDAPOSVSGQQC-BQBZGAKWSA-N 1 2 244.232 1.390 20 0 BDADLO CC(C)[NH2+][C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001480463633 987985409 /nfs/dbraw/zinc/98/54/09/987985409.db2.gz GPTDAPOSVSGQQC-BQBZGAKWSA-N 1 2 244.232 1.390 20 0 BDADLO CCCCC(CCCC)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246560974 987993158 /nfs/dbraw/zinc/99/31/58/987993158.db2.gz WKTQGGRSPRUWHN-CHWSQXEVSA-N 1 2 228.380 1.739 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2CCSC2)o1 ZINC001118070458 988003007 /nfs/dbraw/zinc/00/30/07/988003007.db2.gz IAYXZIZSBJMRLH-ZETCQYMHSA-N 1 2 213.306 1.352 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC001118098857 988018825 /nfs/dbraw/zinc/01/88/25/988018825.db2.gz BNCNQTKMXIFKCC-BWVDBABLSA-N 1 2 227.333 1.923 20 0 BDADLO C[C@@H](C(=O)NCc1nccs1)n1cc[nH+]c1 ZINC001322024536 988075620 /nfs/dbraw/zinc/07/56/20/988075620.db2.gz DAUZORGBUJVRGE-QMMMGPOBSA-N 1 2 236.300 1.217 20 0 BDADLO CC(C)c1nc(NC(=O)[C@@H](C)[NH2+]C2CC2)n[nH]1 ZINC001118200287 988099896 /nfs/dbraw/zinc/09/98/96/988099896.db2.gz HTYUICXKXNOWQJ-SSDOTTSWSA-N 1 2 237.307 1.007 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC[C@H](C)O)C1CC1 ZINC001118292115 988194677 /nfs/dbraw/zinc/19/46/77/988194677.db2.gz ZEFOHKFDEKWYOB-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCCF)C1CC1 ZINC001118289771 988194843 /nfs/dbraw/zinc/19/48/43/988194843.db2.gz FLQRGBYHNIQIRW-VIFPVBQESA-N 1 2 203.257 1.277 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ncnn2C)n(C)n1 ZINC001322301341 988194726 /nfs/dbraw/zinc/19/47/26/988194726.db2.gz GJLYVMAJIGHNDG-VHSXEESVSA-N 1 2 248.334 1.269 20 0 BDADLO COCCC[C@@H](C)c1nnc(C[NH+](C)C)o1 ZINC001118360642 988251671 /nfs/dbraw/zinc/25/16/71/988251671.db2.gz LYTMVGONTNXOKD-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO CSC[C@H](C)c1nnc(C[NH+](C)C)o1 ZINC001322583109 988335418 /nfs/dbraw/zinc/33/54/18/988335418.db2.gz MLCPXCLPZARGNF-ZETCQYMHSA-N 1 2 215.322 1.598 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/c2ccco2)o1 ZINC001322582358 988336650 /nfs/dbraw/zinc/33/66/50/988336650.db2.gz IZKALKDMMSXPLG-AATRIKPKSA-N 1 2 219.244 1.895 20 0 BDADLO CC(=O)[C@H](C)CCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC001118461942 988367546 /nfs/dbraw/zinc/36/75/46/988367546.db2.gz ZKLHLFMXWYDBCB-PWSUYJOCSA-N 1 2 243.347 1.731 20 0 BDADLO CCC(=O)NC/C=C\C[NH2+]Cc1coc(C)n1 ZINC001497509622 988384472 /nfs/dbraw/zinc/38/44/72/988384472.db2.gz AONKFRJFUIWQLY-PLNGDYQASA-N 1 2 237.303 1.155 20 0 BDADLO O=c1sccn1C[N@H+]1CCC[C@H](CCF)C1 ZINC001118529717 988412016 /nfs/dbraw/zinc/41/20/16/988412016.db2.gz FIEZNVVZACJPPX-SNVBAGLBSA-N 1 2 244.335 1.939 20 0 BDADLO O=c1sccn1C[N@@H+]1CCC[C@H](CCF)C1 ZINC001118529717 988412019 /nfs/dbraw/zinc/41/20/19/988412019.db2.gz FIEZNVVZACJPPX-SNVBAGLBSA-N 1 2 244.335 1.939 20 0 BDADLO Cc1noc([C@H](C)[NH2+]C[C@H](O)c2ccccn2)n1 ZINC001118576168 988457828 /nfs/dbraw/zinc/45/78/28/988457828.db2.gz IBSWGWQYPKRFMB-KWQFWETISA-N 1 2 248.286 1.157 20 0 BDADLO CCc1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)on1 ZINC001323135435 988459894 /nfs/dbraw/zinc/45/98/94/988459894.db2.gz IYKZSMSPABAVHV-VIFPVBQESA-N 1 2 248.286 1.311 20 0 BDADLO COc1nc(Cl)c(C[N@H+](C)C(C)C)n1C ZINC001323270681 988483722 /nfs/dbraw/zinc/48/37/22/988483722.db2.gz XSBANXDYRWJUIT-UHFFFAOYSA-N 1 2 231.727 1.922 20 0 BDADLO COc1nc(Cl)c(C[N@@H+](C)C(C)C)n1C ZINC001323270681 988483726 /nfs/dbraw/zinc/48/37/26/988483726.db2.gz XSBANXDYRWJUIT-UHFFFAOYSA-N 1 2 231.727 1.922 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2CCSC2)n[nH]1 ZINC001323286033 988487273 /nfs/dbraw/zinc/48/72/73/988487273.db2.gz PFXPSJNNZJAJAQ-JTQLQIEISA-N 1 2 211.334 1.655 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2CCSC2)n[nH]1 ZINC001323286033 988487280 /nfs/dbraw/zinc/48/72/80/988487280.db2.gz PFXPSJNNZJAJAQ-JTQLQIEISA-N 1 2 211.334 1.655 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1CCF)C1CC1 ZINC001323371024 988514978 /nfs/dbraw/zinc/51/49/78/988514978.db2.gz JDTYQWNQBGTRRP-PWSUYJOCSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1CCF)C1CC1 ZINC001323371024 988514985 /nfs/dbraw/zinc/51/49/85/988514985.db2.gz JDTYQWNQBGTRRP-PWSUYJOCSA-N 1 2 242.338 1.583 20 0 BDADLO O=C(CC(F)(F)F)NC[C@@H]1CC[N@H+]1CCF ZINC001498937608 988516285 /nfs/dbraw/zinc/51/62/85/988516285.db2.gz HSCCDJDZRJGLED-ZETCQYMHSA-N 1 2 242.216 1.099 20 0 BDADLO O=C(CC(F)(F)F)NC[C@@H]1CC[N@@H+]1CCF ZINC001498937608 988516291 /nfs/dbraw/zinc/51/62/91/988516291.db2.gz HSCCDJDZRJGLED-ZETCQYMHSA-N 1 2 242.216 1.099 20 0 BDADLO C[C@H](C(=O)NC[C@@]1(C)CCCO1)n1cc[nH+]c1 ZINC001323739610 988600778 /nfs/dbraw/zinc/60/07/78/988600778.db2.gz YKILUHWSJYIEJB-ZYHUDNBSSA-N 1 2 237.303 1.129 20 0 BDADLO CCn1nncc1C[NH2+][C@H](C)c1nccnc1C ZINC001118808363 988619398 /nfs/dbraw/zinc/61/93/98/988619398.db2.gz RDFFZZLKKHOVAV-SNVBAGLBSA-N 1 2 246.318 1.247 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C2CC(OC(C)C)C2)no1 ZINC001323814942 988623618 /nfs/dbraw/zinc/62/36/18/988623618.db2.gz CLXHMQWHWGTYLN-MFAVDMRSSA-N 1 2 239.319 1.985 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1ccn(C)n1 ZINC001323931464 988655435 /nfs/dbraw/zinc/65/54/35/988655435.db2.gz RUTXIEQCZITGDT-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO Cc1nc([C@@H](C)NCc2[nH]c(C)c(C)[nH+]2)no1 ZINC001118943347 988725882 /nfs/dbraw/zinc/72/58/82/988725882.db2.gz KKXZDKODSVHBIC-MRVPVSSYSA-N 1 2 235.291 1.569 20 0 BDADLO CCCNc1cc(N2C[C@@H](O)C3(CC3)C2)nc[nH+]1 ZINC001118990702 988774622 /nfs/dbraw/zinc/77/46/22/988774622.db2.gz QLUJUGNFFZLXLH-SNVBAGLBSA-N 1 2 248.330 1.260 20 0 BDADLO CCCNc1cc(N2C[C@@H](O)C3(CC3)C2)[nH+]cn1 ZINC001118990702 988774631 /nfs/dbraw/zinc/77/46/31/988774631.db2.gz QLUJUGNFFZLXLH-SNVBAGLBSA-N 1 2 248.330 1.260 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1C(F)(F)F)n1cc[nH+]c1 ZINC001118996729 988783440 /nfs/dbraw/zinc/78/34/40/988783440.db2.gz REWZVCNQAMGVPS-XLPZGREQSA-N 1 2 247.220 1.511 20 0 BDADLO CC(C)C1(NC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001324328149 988801227 /nfs/dbraw/zinc/80/12/27/988801227.db2.gz YZLMNNLMTMLQAJ-JTQLQIEISA-N 1 2 221.304 1.749 20 0 BDADLO CC(C)c1nnc(N2CCn3c[nH+]cc3C2)o1 ZINC001119075230 988831635 /nfs/dbraw/zinc/83/16/35/988831635.db2.gz BTZJOFXKNCUNRN-UHFFFAOYSA-N 1 2 233.275 1.410 20 0 BDADLO CCCCN(CCO)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001324451510 988846892 /nfs/dbraw/zinc/84/68/92/988846892.db2.gz VSIZBAZSLLCPRQ-NSHDSACASA-N 1 2 239.319 1.065 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC001119252292 988866989 /nfs/dbraw/zinc/86/69/89/988866989.db2.gz ANRNFFPAKFKIEH-LBPRGKRZSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC001119252292 988866993 /nfs/dbraw/zinc/86/69/93/988866993.db2.gz ANRNFFPAKFKIEH-LBPRGKRZSA-N 1 2 249.358 1.811 20 0 BDADLO Cc1conc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC001324589726 988882576 /nfs/dbraw/zinc/88/25/76/988882576.db2.gz WHFXRLMYWCMJEH-UHFFFAOYSA-N 1 2 247.258 1.227 20 0 BDADLO [NH3+][C@H](CO)c1nc(-c2cccc3ccoc32)no1 ZINC001247492487 988903694 /nfs/dbraw/zinc/90/36/94/988903694.db2.gz GGSNDYPAQWVDFB-SECBINFHSA-N 1 2 245.238 1.475 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])CO)n2)cc1C ZINC001247612202 988948945 /nfs/dbraw/zinc/94/89/45/988948945.db2.gz KIPISYCPLYSCDE-JTQLQIEISA-N 1 2 233.271 1.346 20 0 BDADLO CCc1nc(NCCC(=O)OC(C)C)cc[nH+]1 ZINC001119336598 988964587 /nfs/dbraw/zinc/96/45/87/988964587.db2.gz AVUWTBCBGISUPV-UHFFFAOYSA-N 1 2 237.303 1.793 20 0 BDADLO CCC1(NC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001324769783 988974026 /nfs/dbraw/zinc/97/40/26/988974026.db2.gz CCHDXGAUVQFXJF-SECBINFHSA-N 1 2 207.277 1.503 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2Nc1cc(N)nc[nH+]1 ZINC001515351682 989030375 /nfs/dbraw/zinc/03/03/75/989030375.db2.gz PJFAAUFALUVUPQ-VIFPVBQESA-N 1 2 244.302 1.282 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001324976991 989039376 /nfs/dbraw/zinc/03/93/76/989039376.db2.gz UQGRKMWANSPPOO-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001324976991 989039387 /nfs/dbraw/zinc/03/93/87/989039387.db2.gz UQGRKMWANSPPOO-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)o1 ZINC001119409960 989049492 /nfs/dbraw/zinc/04/94/92/989049492.db2.gz SMRARHORGYOFOK-VHSXEESVSA-N 1 2 225.292 1.114 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001119409960 989049502 /nfs/dbraw/zinc/04/95/02/989049502.db2.gz SMRARHORGYOFOK-VHSXEESVSA-N 1 2 225.292 1.114 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cnc(C)c(C)c2)no1 ZINC001248186389 989080498 /nfs/dbraw/zinc/08/04/98/989080498.db2.gz LBFXVSZISRDGIP-JTQLQIEISA-N 1 2 248.286 1.395 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](O)[C@H](C)C2)[nH+]1 ZINC001515657875 989096182 /nfs/dbraw/zinc/09/61/82/989096182.db2.gz BIWKDIDMIKJOJY-LDYMZIIASA-N 1 2 224.279 1.736 20 0 BDADLO CCc1ccc(N2CCOC[C@H]2C)[nH+]c1 ZINC001515702669 989104982 /nfs/dbraw/zinc/10/49/82/989104982.db2.gz PYOOXRPODGLLJC-SNVBAGLBSA-N 1 2 206.289 1.869 20 0 BDADLO OCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248503635 989108888 /nfs/dbraw/zinc/10/88/88/989108888.db2.gz HEUWILAGFMEMEF-UHFFFAOYSA-N 1 2 242.238 1.415 20 0 BDADLO CC[NH+](CC)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001119540151 989147915 /nfs/dbraw/zinc/14/79/15/989147915.db2.gz GBUVKKZRKQLBNC-VIFPVBQESA-N 1 2 248.286 1.162 20 0 BDADLO c1cc2n(c1C[N@@H+]1C[C@H]3CC[C@@H]1CO3)CCC2 ZINC001248825625 989189489 /nfs/dbraw/zinc/18/94/89/989189489.db2.gz LAWMXGPPEURLAW-ZIAGYGMSSA-N 1 2 232.327 1.798 20 0 BDADLO c1cc2n(c1C[N@H+]1C[C@H]3CC[C@@H]1CO3)CCC2 ZINC001248825625 989189498 /nfs/dbraw/zinc/18/94/98/989189498.db2.gz LAWMXGPPEURLAW-ZIAGYGMSSA-N 1 2 232.327 1.798 20 0 BDADLO C[C@H](c1nc([C@H]2CCCO2)no1)n1cc[nH+]c1 ZINC001325492688 989194870 /nfs/dbraw/zinc/19/48/70/989194870.db2.gz ZIBGAZVPATWHEX-RKDXNWHRSA-N 1 2 234.259 1.727 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H](C)C1CC1 ZINC001518050518 989275856 /nfs/dbraw/zinc/27/58/56/989275856.db2.gz ZTDQCDNKKFBZNX-VIFPVBQESA-N 1 2 222.288 1.992 20 0 BDADLO CC[C@@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001518050320 989278645 /nfs/dbraw/zinc/27/86/45/989278645.db2.gz YKWBPHNKAJWXAT-SECBINFHSA-N 1 2 210.277 1.992 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)sn2)C1 ZINC001249571182 989313664 /nfs/dbraw/zinc/31/36/64/989313664.db2.gz MWTZUXJXNHYBAF-VIFPVBQESA-N 1 2 240.328 1.446 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)sn2)C1 ZINC001249571182 989313669 /nfs/dbraw/zinc/31/36/69/989313669.db2.gz MWTZUXJXNHYBAF-VIFPVBQESA-N 1 2 240.328 1.446 20 0 BDADLO CC1(CC(=O)OCc2ccc[nH+]c2N)CC1 ZINC001119683466 989329653 /nfs/dbraw/zinc/32/96/53/989329653.db2.gz PZHHZZBLFXTOHF-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO C[NH+]1CCN(C(=O)c2cc3c(o2)CCCC3)CC1 ZINC001518662066 989331654 /nfs/dbraw/zinc/33/16/54/989331654.db2.gz SIEKXBYVJHLVNJ-UHFFFAOYSA-N 1 2 248.326 1.546 20 0 BDADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1nncs1 ZINC001119756738 989384416 /nfs/dbraw/zinc/38/44/16/989384416.db2.gz WPBKKPIDXSPKSL-HTQZYQBOSA-N 1 2 227.333 1.272 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC001119771879 989398463 /nfs/dbraw/zinc/39/84/63/989398463.db2.gz SOJAEVAEKKXUQM-SDDRHHMPSA-N 1 2 242.363 1.210 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCN(C)[C@@H](C)C1 ZINC001119771879 989398469 /nfs/dbraw/zinc/39/84/69/989398469.db2.gz SOJAEVAEKKXUQM-SDDRHHMPSA-N 1 2 242.363 1.210 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC[C@H](F)C1 ZINC001326184851 989412977 /nfs/dbraw/zinc/41/29/77/989412977.db2.gz TZUCNDJQTZYGSZ-QWRGUYRKSA-N 1 2 240.278 1.955 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CC[S@](=O)CC1(C)C ZINC001119838844 989432277 /nfs/dbraw/zinc/43/22/77/989432277.db2.gz VFEGIVQHYPREFE-WQRDJFRPSA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C/C[N@H+]1CC[S@](=O)CC1(C)C ZINC001119838844 989432290 /nfs/dbraw/zinc/43/22/90/989432290.db2.gz VFEGIVQHYPREFE-WQRDJFRPSA-N 1 2 245.388 1.422 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001519587811 989436723 /nfs/dbraw/zinc/43/67/23/989436723.db2.gz VXEAQAKDNNCONI-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001519587808 989437051 /nfs/dbraw/zinc/43/70/51/989437051.db2.gz VXEAQAKDNNCONI-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO CC[NH2+]Cc1noc(CCc2cn(C)nc2C)n1 ZINC001326236260 989441728 /nfs/dbraw/zinc/44/17/28/989441728.db2.gz FVXJYPPWCCJSGV-UHFFFAOYSA-N 1 2 249.318 1.006 20 0 BDADLO C[C@@H]1Cc2cnccc2N1C(=O)Cn1cc[nH+]c1 ZINC001520373180 989550464 /nfs/dbraw/zinc/55/04/64/989550464.db2.gz KJBYOCSVTRNSFD-SNVBAGLBSA-N 1 2 242.282 1.256 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC001120007378 989557733 /nfs/dbraw/zinc/55/77/33/989557733.db2.gz RIUJDZAEJMVMAG-UHFFFAOYSA-N 1 2 246.318 1.026 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@H]1CCCO1 ZINC001520441465 989561789 /nfs/dbraw/zinc/56/17/89/989561789.db2.gz KVZSPMSXTDTKAQ-LLVKDONJSA-N 1 2 238.287 1.515 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccn(C)n2)cnc1F ZINC001120037782 989571605 /nfs/dbraw/zinc/57/16/05/989571605.db2.gz LCLJRGQBTCHUCT-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3COC[C@@H]3C2)nc[nH+]1 ZINC001120057871 989580729 /nfs/dbraw/zinc/58/07/29/989580729.db2.gz PEAVHZJUIKDDSK-MNOVXSKESA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3COC[C@@H]3C2)[nH+]cn1 ZINC001120057871 989580744 /nfs/dbraw/zinc/58/07/44/989580744.db2.gz PEAVHZJUIKDDSK-MNOVXSKESA-N 1 2 248.330 1.015 20 0 BDADLO Cc1ccc(CC(=O)NCCc2[nH+]ccn2C)o1 ZINC001520620196 989583107 /nfs/dbraw/zinc/58/31/07/989583107.db2.gz JVIAXQBHEKMQFS-UHFFFAOYSA-N 1 2 247.298 1.223 20 0 BDADLO C=CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001120461034 989658841 /nfs/dbraw/zinc/65/88/41/989658841.db2.gz HRZAOWSGRURYPA-ZDUSSCGKSA-N 1 2 241.294 1.927 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001326717727 989664159 /nfs/dbraw/zinc/66/41/59/989664159.db2.gz SMEBLDDRGRSJFM-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001326717727 989664171 /nfs/dbraw/zinc/66/41/71/989664171.db2.gz SMEBLDDRGRSJFM-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ncon2)cc1 ZINC001120509051 989689006 /nfs/dbraw/zinc/68/90/06/989689006.db2.gz ULFXMIOAPARMKX-ZYHUDNBSSA-N 1 2 247.298 1.762 20 0 BDADLO CCOCC[C@H](O)C[NH2+]CC(F)(F)C(F)F ZINC001120599973 989773682 /nfs/dbraw/zinc/77/36/82/989773682.db2.gz SCZWNYKFAYDECQ-ZETCQYMHSA-N 1 2 247.232 1.264 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2CCCSC2)o1 ZINC001326988661 989775070 /nfs/dbraw/zinc/77/50/70/989775070.db2.gz XVRDHJISBYASCI-QMMMGPOBSA-N 1 2 227.333 1.742 20 0 BDADLO CC(C)[C@H](F)C(=O)NCCc1[nH+]ccn1C ZINC001522019898 989824956 /nfs/dbraw/zinc/82/49/56/989824956.db2.gz RSEBKKPYQXPKOK-JTQLQIEISA-N 1 2 227.283 1.073 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001522326360 989845531 /nfs/dbraw/zinc/84/55/31/989845531.db2.gz AFWCDYLGUOLDCL-SCZZXKLOSA-N 1 2 237.303 1.008 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C1(C)CC1 ZINC001120728679 989852837 /nfs/dbraw/zinc/85/28/37/989852837.db2.gz ZRSZGFWRXVYDPN-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO CCc1ccc(N2C[C@H](O)[C@H](CC)C2)[nH+]c1 ZINC001120828565 989906790 /nfs/dbraw/zinc/90/67/90/989906790.db2.gz STMLOXQAVLHHKH-NEPJUHHUSA-N 1 2 220.316 1.851 20 0 BDADLO Cc1[nH]c(CNc2nccn3cnnc23)[nH+]c1C ZINC001120875588 989940438 /nfs/dbraw/zinc/94/04/38/989940438.db2.gz XFXLHGIHXWGSIG-UHFFFAOYSA-N 1 2 243.274 1.076 20 0 BDADLO Cc1cccnc1[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC001120889789 989951955 /nfs/dbraw/zinc/95/19/55/989951955.db2.gz UVBXMEDFGQNCSA-MRVPVSSYSA-N 1 2 244.302 1.639 20 0 BDADLO Cc1cccnc1[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC001120889789 989951969 /nfs/dbraw/zinc/95/19/69/989951969.db2.gz UVBXMEDFGQNCSA-MRVPVSSYSA-N 1 2 244.302 1.639 20 0 BDADLO Cc1cc(F)cc(N2CCN3C(=O)CC[C@@H]3C2)[nH+]1 ZINC001120912894 989961201 /nfs/dbraw/zinc/96/12/01/989961201.db2.gz CNGRPDJIJZYNKK-LLVKDONJSA-N 1 2 249.289 1.340 20 0 BDADLO CCc1ccc(N2CCn3ncnc3C2)[nH+]c1 ZINC001120919214 989964799 /nfs/dbraw/zinc/96/47/99/989964799.db2.gz PBDXIBUMZQQJTR-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO COC(=O)C[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001120989707 989996808 /nfs/dbraw/zinc/99/68/08/989996808.db2.gz SULGXXJKWLCPLV-WDEREUQCSA-N 1 2 249.314 1.929 20 0 BDADLO Cc1ccoc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001524815877 990015328 /nfs/dbraw/zinc/01/53/28/990015328.db2.gz DLPIAPSQAMCAGI-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CO[C@@H](C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001121231790 990055479 /nfs/dbraw/zinc/05/54/79/990055479.db2.gz RVAMHEMWWSNAMP-JTQLQIEISA-N 1 2 222.288 1.484 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121309316 990075976 /nfs/dbraw/zinc/07/59/76/990075976.db2.gz YPKYRFAVKWOHOU-ZYHUDNBSSA-N 1 2 247.342 1.782 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1nc[nH]c1C ZINC001527012043 990199035 /nfs/dbraw/zinc/19/90/35/990199035.db2.gz OXSXVDCIUDLSAG-UHFFFAOYSA-N 1 2 234.259 1.292 20 0 BDADLO CCCCNC(=O)CCc1[nH+]ccn1C ZINC001527372939 990220436 /nfs/dbraw/zinc/22/04/36/990220436.db2.gz GTGCTOCKXCCECM-UHFFFAOYSA-N 1 2 209.293 1.269 20 0 BDADLO CCNc1ccc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC001529107809 990330621 /nfs/dbraw/zinc/33/06/21/990330621.db2.gz HHVTTZYTBZIJQL-UHFFFAOYSA-N 1 2 245.286 1.349 20 0 BDADLO Cn1c[nH+]cc1C1CCN(C(=O)C2CCC2)CC1 ZINC001529280830 990341284 /nfs/dbraw/zinc/34/12/84/990341284.db2.gz LDOCGHQQGBYONA-UHFFFAOYSA-N 1 2 247.342 1.926 20 0 BDADLO CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001533470677 990430732 /nfs/dbraw/zinc/43/07/32/990430732.db2.gz VNWBEKBXOGGWSG-CYBMUJFWSA-N 1 2 229.283 1.761 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@@H](C)C2)nc[nH+]1 ZINC000401420067 990464023 /nfs/dbraw/zinc/46/40/23/990464023.db2.gz TYUHVYQWTUNLPN-YUMQZZPRSA-N 1 2 208.265 1.108 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@@H](C)C2)[nH+]cn1 ZINC000401420067 990464027 /nfs/dbraw/zinc/46/40/27/990464027.db2.gz TYUHVYQWTUNLPN-YUMQZZPRSA-N 1 2 208.265 1.108 20 0 BDADLO CC(C)(COC(=O)c1cocn1)n1cc[nH+]c1 ZINC001123154070 990518694 /nfs/dbraw/zinc/51/86/94/990518694.db2.gz LZAVHFAXBBAJBB-UHFFFAOYSA-N 1 2 235.243 1.463 20 0 BDADLO C[C@H](CC(=O)OCC1COC1)n1cc[nH+]c1 ZINC001123373020 990564641 /nfs/dbraw/zinc/56/46/41/990564641.db2.gz BXOXFYJMKIZNFR-SECBINFHSA-N 1 2 224.260 1.024 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ncoc1C ZINC001123377514 990568918 /nfs/dbraw/zinc/56/89/18/990568918.db2.gz JFMRVMXJXZZMHI-UHFFFAOYSA-N 1 2 235.243 1.556 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC=CO1 ZINC001540799769 990647505 /nfs/dbraw/zinc/64/75/05/990647505.db2.gz UDJWIVSLNYYPQG-MNOVXSKESA-N 1 2 235.287 1.081 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)C(C)C)o1 ZINC001123694743 990647971 /nfs/dbraw/zinc/64/79/71/990647971.db2.gz NTTSJNABJJJCEZ-SNVBAGLBSA-N 1 2 239.319 1.406 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(CC1CC1)C(C)C ZINC001540830688 990649706 /nfs/dbraw/zinc/64/97/06/990649706.db2.gz NAALASARUQVPSK-UHFFFAOYSA-N 1 2 235.331 1.908 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(C)c1ccc(OC)nc1 ZINC001542399065 990664574 /nfs/dbraw/zinc/66/45/74/990664574.db2.gz OLYHAFTXQAZZMC-NSHDSACASA-N 1 2 249.314 1.147 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(C)c1ccc(OC)nc1 ZINC001542399065 990664580 /nfs/dbraw/zinc/66/45/80/990664580.db2.gz OLYHAFTXQAZZMC-NSHDSACASA-N 1 2 249.314 1.147 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCOC(C)(C)C ZINC001542405903 990665227 /nfs/dbraw/zinc/66/52/27/990665227.db2.gz GARWPEGZJPXYSP-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO CNc1cc(CNC(=O)N(C)CC2CC2)cc[nH+]1 ZINC001123795125 990671634 /nfs/dbraw/zinc/67/16/34/990671634.db2.gz PSPRXDWWHWDVDZ-UHFFFAOYSA-N 1 2 248.330 1.675 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001124014362 990733126 /nfs/dbraw/zinc/73/31/26/990733126.db2.gz CRBVKGFYDYDHKS-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(F)nc1 ZINC001545462228 990753306 /nfs/dbraw/zinc/75/33/06/990753306.db2.gz UKHKWWDBXHYBRY-UHFFFAOYSA-N 1 2 220.207 1.125 20 0 BDADLO CC/C=C(/C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124345439 990775931 /nfs/dbraw/zinc/77/59/31/990775931.db2.gz WQNJWUYUUYTORT-WZUFQYTHSA-N 1 2 248.330 1.039 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)C(F)F)c[nH+]1 ZINC001548717142 990777602 /nfs/dbraw/zinc/77/76/02/990777602.db2.gz IUWKUZCQVWIVIZ-QMMMGPOBSA-N 1 2 245.273 1.696 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC001556259136 990815877 /nfs/dbraw/zinc/81/58/77/990815877.db2.gz NNBHZJOVUCTLAU-LURJTMIESA-N 1 2 235.209 1.409 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cscn2)CC[C@H]1F ZINC001137591266 990825209 /nfs/dbraw/zinc/82/52/09/990825209.db2.gz GGGULDAJCNWWPQ-NXEZZACHSA-N 1 2 230.308 1.438 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cscn2)CC[C@H]1F ZINC001137591266 990825210 /nfs/dbraw/zinc/82/52/10/990825210.db2.gz GGGULDAJCNWWPQ-NXEZZACHSA-N 1 2 230.308 1.438 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cncnc1)C2 ZINC001137669234 990835365 /nfs/dbraw/zinc/83/53/65/990835365.db2.gz IKYACAJHJXHUTJ-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cncnc1)C2 ZINC001137669234 990835367 /nfs/dbraw/zinc/83/53/67/990835367.db2.gz IKYACAJHJXHUTJ-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO CCc1nc(CNC(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001556641551 990841071 /nfs/dbraw/zinc/84/10/71/990841071.db2.gz CIMHSPBKXFVTAS-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO Fc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cn1 ZINC001137742691 990846358 /nfs/dbraw/zinc/84/63/58/990846358.db2.gz DXTIONBKGSYRNG-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ccc(C[N@H+]2CC[C@@]23CCOC3)cn1 ZINC001137742691 990846361 /nfs/dbraw/zinc/84/63/61/990846361.db2.gz DXTIONBKGSYRNG-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO COc1ccc(F)c(C[NH+]2CC(CO)C2)c1 ZINC001137996292 990874643 /nfs/dbraw/zinc/87/46/43/990874643.db2.gz GLLJHNGTRXDYGF-UHFFFAOYSA-N 1 2 225.263 1.258 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2nccnc12 ZINC001138307849 990909394 /nfs/dbraw/zinc/90/93/94/990909394.db2.gz OILXRNZQLNRSRF-UHFFFAOYSA-N 1 2 245.282 1.235 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2nccnc12 ZINC001138307849 990909405 /nfs/dbraw/zinc/90/94/05/990909405.db2.gz OILXRNZQLNRSRF-UHFFFAOYSA-N 1 2 245.282 1.235 20 0 BDADLO CCC(CC)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841337 990914823 /nfs/dbraw/zinc/91/48/23/990914823.db2.gz HYBTVRFFNPCZNT-UHFFFAOYSA-N 1 2 247.342 1.985 20 0 BDADLO CCC[C@H](O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558560249 990966564 /nfs/dbraw/zinc/96/65/64/990966564.db2.gz JGTUZSJQSJIFAJ-JTQLQIEISA-N 1 2 239.319 1.310 20 0 BDADLO CCC[C@H](O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558560249 990966576 /nfs/dbraw/zinc/96/65/76/990966576.db2.gz JGTUZSJQSJIFAJ-JTQLQIEISA-N 1 2 239.319 1.310 20 0 BDADLO COc1ccc2[nH]cc(C[NH+]3CC(C)(O)C3)c2c1 ZINC001138503430 990967243 /nfs/dbraw/zinc/96/72/43/990967243.db2.gz CXSMCPUQKMXISN-UHFFFAOYSA-N 1 2 246.310 1.743 20 0 BDADLO CN(C)c1cccc(C[NH2+]Cc2cc[nH]n2)n1 ZINC001308338220 990971219 /nfs/dbraw/zinc/97/12/19/990971219.db2.gz RTYPSWPCVLISQA-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC001258079365 990980113 /nfs/dbraw/zinc/98/01/13/990980113.db2.gz OJLDYLXGHBLKDZ-RYUDHWBXSA-N 1 2 243.347 1.635 20 0 BDADLO CCCn1ncc(C[N@@H+]2CCOC3(CC3)C2)c1C ZINC001138642288 990993515 /nfs/dbraw/zinc/99/35/15/990993515.db2.gz UEVKUYGDRLZSIN-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO CCCn1ncc(C[N@H+]2CCOC3(CC3)C2)c1C ZINC001138642288 990993524 /nfs/dbraw/zinc/99/35/24/990993524.db2.gz UEVKUYGDRLZSIN-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cn(C)nn2)c(C)n1 ZINC001308457364 991000753 /nfs/dbraw/zinc/00/07/53/991000753.db2.gz NZVDSTQYJFWFQE-UHFFFAOYSA-N 1 2 248.334 1.020 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001138695170 991006192 /nfs/dbraw/zinc/00/61/92/991006192.db2.gz XXWNHMKCDZFDIQ-UHFFFAOYSA-N 1 2 233.315 1.488 20 0 BDADLO CNc1ncccc1C[N@H+]1CCOC2(CC2)C1 ZINC001138695170 991006203 /nfs/dbraw/zinc/00/62/03/991006203.db2.gz XXWNHMKCDZFDIQ-UHFFFAOYSA-N 1 2 233.315 1.488 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnc3[nH]ccc3c2)C[C@@H]1F ZINC001138737432 991028757 /nfs/dbraw/zinc/02/87/57/991028757.db2.gz RAIZUBLRQPSFSY-RYUDHWBXSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2)C[C@@H]1F ZINC001138737432 991028763 /nfs/dbraw/zinc/02/87/63/991028763.db2.gz RAIZUBLRQPSFSY-RYUDHWBXSA-N 1 2 249.289 1.732 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(CO)cs2)CCCO1 ZINC001308614593 991057816 /nfs/dbraw/zinc/05/78/16/991057816.db2.gz AVKDGOOSYOJRHB-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(CO)cs2)CCCO1 ZINC001308614593 991057827 /nfs/dbraw/zinc/05/78/27/991057827.db2.gz AVKDGOOSYOJRHB-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc2ccnn21 ZINC001138804707 991064947 /nfs/dbraw/zinc/06/49/47/991064947.db2.gz SSZCFNFWOZAHLQ-GWCFXTLKSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc2ccnn21 ZINC001138804707 991064953 /nfs/dbraw/zinc/06/49/53/991064953.db2.gz SSZCFNFWOZAHLQ-GWCFXTLKSA-N 1 2 249.289 1.239 20 0 BDADLO C[N@H+](Cc1cccc2ccnn21)C1(C)COC1 ZINC001138808458 991070077 /nfs/dbraw/zinc/07/00/77/991070077.db2.gz WJCLRBSTMPNROC-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1cccc2ccnn21)C1(C)COC1 ZINC001138808458 991070082 /nfs/dbraw/zinc/07/00/82/991070082.db2.gz WJCLRBSTMPNROC-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C[C@H](O)CO)cs1 ZINC001138883226 991091882 /nfs/dbraw/zinc/09/18/82/991091882.db2.gz MXKVRVVLNMIMIZ-JTQLQIEISA-N 1 2 244.360 1.052 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C[C@H](O)CO)cs1 ZINC001138883226 991091891 /nfs/dbraw/zinc/09/18/91/991091891.db2.gz MXKVRVVLNMIMIZ-JTQLQIEISA-N 1 2 244.360 1.052 20 0 BDADLO Cc1c[nH]c(C[NH+]2CCC(n3cnnc3)CC2)n1 ZINC001138938934 991109292 /nfs/dbraw/zinc/10/92/92/991109292.db2.gz AWYRPUCXKVLMPA-UHFFFAOYSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3ncccc3C2)n1 ZINC001138940804 991110181 /nfs/dbraw/zinc/11/01/81/991110181.db2.gz UPHGZHVAZZIEDM-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3ncccc3C2)n1 ZINC001138940804 991110187 /nfs/dbraw/zinc/11/01/87/991110187.db2.gz UPHGZHVAZZIEDM-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(CO)cs1 ZINC001308751914 991120815 /nfs/dbraw/zinc/12/08/15/991120815.db2.gz XQYXRELWFFSFAD-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(CO)cs1 ZINC001308751914 991120823 /nfs/dbraw/zinc/12/08/23/991120823.db2.gz XQYXRELWFFSFAD-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(CO)cs1 ZINC001308790214 991135571 /nfs/dbraw/zinc/13/55/71/991135571.db2.gz PNTOKVCCLRUAPM-JGVFFNPUSA-N 1 2 212.318 1.476 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(CO)cs1 ZINC001308790214 991135576 /nfs/dbraw/zinc/13/55/76/991135576.db2.gz PNTOKVCCLRUAPM-JGVFFNPUSA-N 1 2 212.318 1.476 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001139094397 991142492 /nfs/dbraw/zinc/14/24/92/991142492.db2.gz GNHIHWCZFADUDB-NWDGAFQWSA-N 1 2 241.310 1.321 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001139094397 991142505 /nfs/dbraw/zinc/14/25/05/991142505.db2.gz GNHIHWCZFADUDB-NWDGAFQWSA-N 1 2 241.310 1.321 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001139137470 991156782 /nfs/dbraw/zinc/15/67/82/991156782.db2.gz ASQAGNCQAGPTMU-BETUJISGSA-N 1 2 249.310 1.764 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001139137470 991156787 /nfs/dbraw/zinc/15/67/87/991156787.db2.gz ASQAGNCQAGPTMU-BETUJISGSA-N 1 2 249.310 1.764 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001139139026 991160820 /nfs/dbraw/zinc/16/08/20/991160820.db2.gz SPIOAHPWMCIHDN-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC001139139026 991160834 /nfs/dbraw/zinc/16/08/34/991160834.db2.gz SPIOAHPWMCIHDN-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2c1ccn2C ZINC001139162150 991175545 /nfs/dbraw/zinc/17/55/45/991175545.db2.gz NUGOXHZWEVRTRZ-UHFFFAOYSA-N 1 2 246.310 1.783 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2c1ccn2C ZINC001139162150 991175560 /nfs/dbraw/zinc/17/55/60/991175560.db2.gz NUGOXHZWEVRTRZ-UHFFFAOYSA-N 1 2 246.310 1.783 20 0 BDADLO Cn1ccc2ccc(C[NH+]3CC(O)C3)cc21 ZINC001139201029 991180134 /nfs/dbraw/zinc/18/01/34/991180134.db2.gz HUFQEIVBCJVLDY-UHFFFAOYSA-N 1 2 216.284 1.355 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccc3nonc3c2)C1 ZINC001139222958 991200087 /nfs/dbraw/zinc/20/00/87/991200087.db2.gz BFRAJBDTJUPVSQ-UHFFFAOYSA-N 1 2 247.298 1.832 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3occc3C2)s1 ZINC001139231566 991210242 /nfs/dbraw/zinc/21/02/42/991210242.db2.gz XAGKSERBFJNYAQ-UHFFFAOYSA-N 1 2 235.312 1.877 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3occc3C2)s1 ZINC001139231566 991210249 /nfs/dbraw/zinc/21/02/49/991210249.db2.gz XAGKSERBFJNYAQ-UHFFFAOYSA-N 1 2 235.312 1.877 20 0 BDADLO CCC1(C[N@@H+]2CCC[C@@H](F)C(=O)C2)COC1 ZINC001202912302 991215840 /nfs/dbraw/zinc/21/58/40/991215840.db2.gz NLAYQWHOTKGYOU-SNVBAGLBSA-N 1 2 229.295 1.416 20 0 BDADLO CCC1(C[N@H+]2CCC[C@@H](F)C(=O)C2)COC1 ZINC001202912302 991215862 /nfs/dbraw/zinc/21/58/62/991215862.db2.gz NLAYQWHOTKGYOU-SNVBAGLBSA-N 1 2 229.295 1.416 20 0 BDADLO CCC1(C[N@@H+]2CCn3ccnc3C2)COC1 ZINC001202927217 991232994 /nfs/dbraw/zinc/23/29/94/991232994.db2.gz RRQVLKQJZOABQP-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO CCC1(C[N@H+]2CCn3ccnc3C2)COC1 ZINC001202927217 991233001 /nfs/dbraw/zinc/23/30/01/991233001.db2.gz RRQVLKQJZOABQP-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO CC[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)OC ZINC001559731391 991233681 /nfs/dbraw/zinc/23/36/81/991233681.db2.gz KFWVHXOYEUPXDM-CBAPKCEASA-N 1 2 213.281 1.454 20 0 BDADLO CC(C)CCc1nnc([C@@H]2C[C@H](O)C[N@@H+]2C)o1 ZINC001258316415 991242045 /nfs/dbraw/zinc/24/20/45/991242045.db2.gz SJMKXVWYZIQIJH-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)CCc1nnc([C@@H]2C[C@H](O)C[N@H+]2C)o1 ZINC001258316415 991242056 /nfs/dbraw/zinc/24/20/56/991242056.db2.gz SJMKXVWYZIQIJH-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CCN(Cc1ccc(N(C)C)nc1)C1C[NH+](C)C1 ZINC001139458107 991247205 /nfs/dbraw/zinc/24/72/05/991247205.db2.gz IHMJRGKVRHRQCD-UHFFFAOYSA-N 1 2 248.374 1.284 20 0 BDADLO COC(=O)CC[C@@H](C)[N@@H+]1Cc2ccncc2C1 ZINC001258370075 991322675 /nfs/dbraw/zinc/32/26/75/991322675.db2.gz KPPQDIUNHLDFDU-SNVBAGLBSA-N 1 2 234.299 1.739 20 0 BDADLO COC(=O)CC[C@@H](C)[N@H+]1Cc2ccncc2C1 ZINC001258370075 991322685 /nfs/dbraw/zinc/32/26/85/991322685.db2.gz KPPQDIUNHLDFDU-SNVBAGLBSA-N 1 2 234.299 1.739 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCn2nccc2C1 ZINC001560026357 991363078 /nfs/dbraw/zinc/36/30/78/991363078.db2.gz RNGHRDJWHQCXOP-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCn2nccc2C1 ZINC001560026357 991363086 /nfs/dbraw/zinc/36/30/86/991363086.db2.gz RNGHRDJWHQCXOP-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO CCSCC[N@H+](C)Cc1ncccn1 ZINC001560101343 991377449 /nfs/dbraw/zinc/37/74/49/991377449.db2.gz IYENDCGIAFHIDL-UHFFFAOYSA-N 1 2 211.334 1.662 20 0 BDADLO CCSCC[N@@H+](C)Cc1ncccn1 ZINC001560101343 991377460 /nfs/dbraw/zinc/37/74/60/991377460.db2.gz IYENDCGIAFHIDL-UHFFFAOYSA-N 1 2 211.334 1.662 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccncc2Cl)CC[C@H]1F ZINC001139845746 991398995 /nfs/dbraw/zinc/39/89/95/991398995.db2.gz QFFKXQIUSFTOBY-GHMZBOCLSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@H]1F ZINC001139845746 991399005 /nfs/dbraw/zinc/39/90/05/991399005.db2.gz QFFKXQIUSFTOBY-GHMZBOCLSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccncc2Cl)CC[C@H]1F ZINC001139845747 991400982 /nfs/dbraw/zinc/40/09/82/991400982.db2.gz QFFKXQIUSFTOBY-MNOVXSKESA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@H]1F ZINC001139845747 991400984 /nfs/dbraw/zinc/40/09/84/991400984.db2.gz QFFKXQIUSFTOBY-MNOVXSKESA-N 1 2 244.697 1.640 20 0 BDADLO COc1ccc(C[NH+]2CCC2)c(OC)n1 ZINC001139916877 991416154 /nfs/dbraw/zinc/41/61/54/991416154.db2.gz CRPDFQZXTVFANW-UHFFFAOYSA-N 1 2 208.261 1.305 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)cn1 ZINC001139929183 991422973 /nfs/dbraw/zinc/42/29/73/991422973.db2.gz SACWPWGMWZPNAK-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)cn1 ZINC001139929183 991422979 /nfs/dbraw/zinc/42/29/79/991422979.db2.gz SACWPWGMWZPNAK-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@@H]2CC3(CCC3)CO2)n1 ZINC001560218815 991423413 /nfs/dbraw/zinc/42/34/13/991423413.db2.gz PACPHQMBPVBPII-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@@H]2CC3(CCC3)CO2)n1 ZINC001560218815 991423423 /nfs/dbraw/zinc/42/34/23/991423423.db2.gz PACPHQMBPVBPII-ZDUSSCGKSA-N 1 2 249.358 1.811 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3c(cnn3C)c2)C1 ZINC001139949020 991426938 /nfs/dbraw/zinc/42/69/38/991426938.db2.gz XINWFLKFOABCFN-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@@H+]1[C@H](C)CC1CC1 ZINC001258471285 991437226 /nfs/dbraw/zinc/43/72/26/991437226.db2.gz XWMVTKQGKZEHNB-MFKMUULPSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@H+]1[C@H](C)CC1CC1 ZINC001258471285 991437234 /nfs/dbraw/zinc/43/72/34/991437234.db2.gz XWMVTKQGKZEHNB-MFKMUULPSA-N 1 2 241.331 1.439 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2ccnnc2)C1 ZINC001139981106 991450543 /nfs/dbraw/zinc/45/05/43/991450543.db2.gz ATCWBKZVCZZTMG-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2ccnnc2)C1 ZINC001139981106 991450552 /nfs/dbraw/zinc/45/05/52/991450552.db2.gz ATCWBKZVCZZTMG-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1ccnnc1)C2 ZINC001139980190 991452940 /nfs/dbraw/zinc/45/29/40/991452940.db2.gz JRNPBDWRZFOEPW-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1ccnnc1)C2 ZINC001139980190 991452944 /nfs/dbraw/zinc/45/29/44/991452944.db2.gz JRNPBDWRZFOEPW-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO c1cnc([C@@H]2CCC[N@H+]2Cc2ccnnc2)cn1 ZINC001139983598 991461502 /nfs/dbraw/zinc/46/15/02/991461502.db2.gz YBWUHZDAZHASTQ-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnc([C@@H]2CCC[N@@H+]2Cc2ccnnc2)cn1 ZINC001139983598 991461507 /nfs/dbraw/zinc/46/15/07/991461507.db2.gz YBWUHZDAZHASTQ-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO C[C@@]1(CO)CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988106 991470157 /nfs/dbraw/zinc/47/01/57/991470157.db2.gz PJTXBYGAVAFKFF-LLVKDONJSA-N 1 2 241.722 1.334 20 0 BDADLO C[C@@]1(CO)CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988106 991470162 /nfs/dbraw/zinc/47/01/62/991470162.db2.gz PJTXBYGAVAFKFF-LLVKDONJSA-N 1 2 241.722 1.334 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)nc2)CCCO1 ZINC001139988271 991470908 /nfs/dbraw/zinc/47/09/08/991470908.db2.gz SIWFQGYBAAHVAS-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)nc2)CCCO1 ZINC001139988271 991470914 /nfs/dbraw/zinc/47/09/14/991470914.db2.gz SIWFQGYBAAHVAS-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnsc2)ncn1 ZINC001560426447 991472470 /nfs/dbraw/zinc/47/24/70/991472470.db2.gz KCPIVIGJIBMFMW-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO Clc1ncc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001139993473 991474781 /nfs/dbraw/zinc/47/47/81/991474781.db2.gz MUKXVJSWSQVBDV-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ncc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001139993473 991474775 /nfs/dbraw/zinc/47/47/75/991474775.db2.gz MUKXVJSWSQVBDV-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ncccc1C[NH2+]Cc1cnccn1 ZINC001560618086 991518760 /nfs/dbraw/zinc/51/87/60/991518760.db2.gz KPNYFUIYXGLXQV-UHFFFAOYSA-N 1 2 234.690 1.815 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ncccc2C)nn1 ZINC001560617974 991519017 /nfs/dbraw/zinc/51/90/17/991519017.db2.gz GZWFXQUZSMTFPT-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO COC[C@@H]([NH2+]CC(=O)OC(C)C)C(C)C ZINC000083399768 991523360 /nfs/dbraw/zinc/52/33/60/991523360.db2.gz XOKVVUALSZVZGJ-SNVBAGLBSA-N 1 2 217.309 1.199 20 0 BDADLO Oc1cccc2[nH]cc(C[NH+]3CC(O)C3)c21 ZINC001140231569 991566521 /nfs/dbraw/zinc/56/65/21/991566521.db2.gz NJUAJOYORPZPSD-UHFFFAOYSA-N 1 2 218.256 1.050 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258633034 991576109 /nfs/dbraw/zinc/57/61/09/991576109.db2.gz FZRUOIKOLOAMLO-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258633034 991576120 /nfs/dbraw/zinc/57/61/20/991576120.db2.gz FZRUOIKOLOAMLO-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC001560763006 991587417 /nfs/dbraw/zinc/58/74/17/991587417.db2.gz APSYLVAZXKOPRG-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccncc2O)n(C)n1 ZINC001140278422 991599263 /nfs/dbraw/zinc/59/92/63/991599263.db2.gz RGQILJMZXJVUAH-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccncc2O)n(C)n1 ZINC001140278422 991599279 /nfs/dbraw/zinc/59/92/79/991599279.db2.gz RGQILJMZXJVUAH-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)C2(CC)CC2)C1 ZINC001318060075 991616745 /nfs/dbraw/zinc/61/67/45/991616745.db2.gz CCFQPURFXQOMHL-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NC1C[NH+](CC)C1 ZINC001318073556 991617190 /nfs/dbraw/zinc/61/71/90/991617190.db2.gz HIYYYNWDTIYPJY-UWVGGRQHSA-N 1 2 212.337 1.489 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001318278656 991642834 /nfs/dbraw/zinc/64/28/34/991642834.db2.gz JJNLKKNJGOLZEH-OUAUKWLOSA-N 1 2 221.304 1.749 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCCC[C@@H](F)C1 ZINC001140469458 991646558 /nfs/dbraw/zinc/64/65/58/991646558.db2.gz QBGYVPDKGREIPX-MRVPVSSYSA-N 1 2 241.266 1.212 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001140469458 991646560 /nfs/dbraw/zinc/64/65/60/991646560.db2.gz QBGYVPDKGREIPX-MRVPVSSYSA-N 1 2 241.266 1.212 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1CC2(C1)CCCCC2 ZINC001140473106 991650900 /nfs/dbraw/zinc/65/09/00/991650900.db2.gz NMJUZQSHEVDAKK-UHFFFAOYSA-N 1 2 249.314 1.654 20 0 BDADLO NC(=O)C1C[NH+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140538880 991661585 /nfs/dbraw/zinc/66/15/85/991661585.db2.gz NJCLOMSXHBHUAT-UHFFFAOYSA-N 1 2 242.681 1.396 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccc(O)c(C)c2)CC1 ZINC001140574022 991673366 /nfs/dbraw/zinc/67/33/66/991673366.db2.gz XUSSNVZYLHRQSA-UHFFFAOYSA-N 1 2 248.326 1.365 20 0 BDADLO Cc1cc(NC(=O)NCCc2cn(C)c[nH+]2)no1 ZINC001562048033 991736751 /nfs/dbraw/zinc/73/67/51/991736751.db2.gz JCVIORUCPDAGBH-UHFFFAOYSA-N 1 2 249.274 1.081 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)NCc1ccc[nH+]c1N ZINC001564895292 991775529 /nfs/dbraw/zinc/77/55/29/991775529.db2.gz DBXCLZIBAMVJID-WDEREUQCSA-N 1 2 248.330 1.508 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001319116563 991793924 /nfs/dbraw/zinc/79/39/24/991793924.db2.gz KMKYYDSCGPTTMM-GHMZBOCLSA-N 1 2 221.304 1.703 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC001258807245 991808678 /nfs/dbraw/zinc/80/86/78/991808678.db2.gz GNXXNKLDHRLOTF-VHSXEESVSA-N 1 2 211.305 1.860 20 0 BDADLO C[C@H](C(=O)N1CCOC[C@H]1C1CC1)n1cc[nH+]c1 ZINC001319570383 991897123 /nfs/dbraw/zinc/89/71/23/991897123.db2.gz STKQDSSVDSPYHK-PWSUYJOCSA-N 1 2 249.314 1.082 20 0 BDADLO CS[C@H](C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319653106 991922427 /nfs/dbraw/zinc/92/24/27/991922427.db2.gz LAODIHPTWBHOSY-BDAKNGLRSA-N 1 2 227.333 1.312 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)CCC1=O ZINC001319702430 991937171 /nfs/dbraw/zinc/93/71/71/991937171.db2.gz WKQJYQKTZXUZJY-NXEZZACHSA-N 1 2 249.314 1.074 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCSC1 ZINC001567147077 991950097 /nfs/dbraw/zinc/95/00/97/991950097.db2.gz NDYNJCZYHXIRSL-VIFPVBQESA-N 1 2 239.344 1.225 20 0 BDADLO Cc1nc([C@@H](C)NC(=O)[C@@H](C)n2cc[nH+]c2)no1 ZINC001319757810 991969763 /nfs/dbraw/zinc/96/97/63/991969763.db2.gz JHIZXISBXDREQT-HTQZYQBOSA-N 1 2 249.274 1.013 20 0 BDADLO Cc1nnc(SCCCn2cc[nH+]c2C)[nH]1 ZINC001319868856 992013317 /nfs/dbraw/zinc/01/33/17/992013317.db2.gz IBOVCULAAIZJFU-UHFFFAOYSA-N 1 2 237.332 1.800 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc([C@H]2CCCO2)o1 ZINC001319873536 992014350 /nfs/dbraw/zinc/01/43/50/992014350.db2.gz NMPYXASFPPAHDV-SECBINFHSA-N 1 2 249.274 1.267 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001567776388 992088124 /nfs/dbraw/zinc/08/81/24/992088124.db2.gz MNPHXMNDNWOUQR-UWVGGRQHSA-N 1 2 234.290 1.285 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001567776388 992088135 /nfs/dbraw/zinc/08/81/35/992088135.db2.gz MNPHXMNDNWOUQR-UWVGGRQHSA-N 1 2 234.290 1.285 20 0 BDADLO CC/C=C(\C)C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001567786109 992093231 /nfs/dbraw/zinc/09/32/31/992093231.db2.gz MRWJAFCAFWAEPQ-CDCCAWJDSA-N 1 2 240.347 1.178 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320289955 992156561 /nfs/dbraw/zinc/15/65/61/992156561.db2.gz RQFNXWGKXXYJJJ-SFYZADRCSA-N 1 2 249.236 1.901 20 0 BDADLO COC(=O)NC1C[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001261297455 992263092 /nfs/dbraw/zinc/26/30/92/992263092.db2.gz AYTWVCPNFIFGLS-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001261361199 992274093 /nfs/dbraw/zinc/27/40/93/992274093.db2.gz KZQCDIVZUZEAJU-YYRQZUAOSA-N 1 2 245.326 1.528 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc(C)n[nH]2)CCO1 ZINC001320624932 992281993 /nfs/dbraw/zinc/28/19/93/992281993.db2.gz OCCOBQMGKCLPCO-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc(C)n[nH]2)CCO1 ZINC001320624932 992282005 /nfs/dbraw/zinc/28/20/05/992282005.db2.gz OCCOBQMGKCLPCO-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001320660609 992297092 /nfs/dbraw/zinc/29/70/92/992297092.db2.gz AQUDWZHUYGNEOQ-GMTAPVOTSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]1C1CCC1)n1cc[nH+]c1 ZINC001261438667 992309542 /nfs/dbraw/zinc/30/95/42/992309542.db2.gz MQFXAPZOKYVIBN-ADEWGFFLSA-N 1 2 233.315 1.749 20 0 BDADLO CC(C)c1coc(NC(=O)C[NH+]2CCCC2)n1 ZINC001569319472 992360936 /nfs/dbraw/zinc/36/09/36/992360936.db2.gz WUEBKFPHMLIBKI-UHFFFAOYSA-N 1 2 237.303 1.832 20 0 BDADLO C[C@H](C(=O)NCCOC(C)(C)C)n1cc[nH+]c1 ZINC001320794729 992361719 /nfs/dbraw/zinc/36/17/19/992361719.db2.gz VTFSIBDGDOUPGQ-SNVBAGLBSA-N 1 2 239.319 1.375 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1nncn1C ZINC001261601153 992421283 /nfs/dbraw/zinc/42/12/83/992421283.db2.gz FJAKTOIEAFLUJK-VHSXEESVSA-N 1 2 246.318 1.197 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1nncn1C ZINC001261601152 992422985 /nfs/dbraw/zinc/42/29/85/992422985.db2.gz FJAKTOIEAFLUJK-UWVGGRQHSA-N 1 2 246.318 1.197 20 0 BDADLO O=C(CCC(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001321088198 992455186 /nfs/dbraw/zinc/45/51/86/992455186.db2.gz WOJCNVMDMCVLFB-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)CC(C)C)CO2 ZINC001570238172 992457507 /nfs/dbraw/zinc/45/75/07/992457507.db2.gz PWTPHJQLXLFWJI-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CCC(C)(C)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321122062 992459765 /nfs/dbraw/zinc/45/97/65/992459765.db2.gz AILOMHCMZHEJLF-SNVBAGLBSA-N 1 2 223.320 1.997 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@H](O)CCC(C)C)no1 ZINC001321128080 992463672 /nfs/dbraw/zinc/46/36/72/992463672.db2.gz DOEQVRKPOCBHTF-MWLCHTKSSA-N 1 2 241.335 1.826 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@@H](O)CCC(C)C)no1 ZINC001321128079 992464717 /nfs/dbraw/zinc/46/47/17/992464717.db2.gz DOEQVRKPOCBHTF-KOLCDFICSA-N 1 2 241.335 1.826 20 0 BDADLO CC(C)(C)ONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001261758842 992491500 /nfs/dbraw/zinc/49/15/00/992491500.db2.gz LWXLFGPTJYLELM-SECBINFHSA-N 1 2 237.303 1.292 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCc2ccnn2C)no1 ZINC001321298786 992512753 /nfs/dbraw/zinc/51/27/53/992512753.db2.gz LAHIGCVMDPEZFE-QMMMGPOBSA-N 1 2 235.291 1.005 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)CC2 ZINC001262014426 992601790 /nfs/dbraw/zinc/60/17/90/992601790.db2.gz HVUCKAZXZQJOEV-XBFCOCLRSA-N 1 2 247.342 1.656 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)CC2 ZINC001262014426 992601794 /nfs/dbraw/zinc/60/17/94/992601794.db2.gz HVUCKAZXZQJOEV-XBFCOCLRSA-N 1 2 247.342 1.656 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ocnc2C)[C@@H](C)CO1 ZINC001262111676 992681328 /nfs/dbraw/zinc/68/13/28/992681328.db2.gz MHPKFNFFYZGDHM-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ocnc2C)[C@@H](C)CO1 ZINC001262111676 992681332 /nfs/dbraw/zinc/68/13/32/992681332.db2.gz MHPKFNFFYZGDHM-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CN(Cc1cccnc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001262153471 992696965 /nfs/dbraw/zinc/69/69/65/992696965.db2.gz DNNSHIFRUGWXPO-UHFFFAOYSA-N 1 2 230.271 1.006 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cn(C)nn1 ZINC001262160774 992723238 /nfs/dbraw/zinc/72/32/38/992723238.db2.gz ORQHOALTOBDUPD-NXEZZACHSA-N 1 2 246.318 1.197 20 0 BDADLO C[C@@H](CC(=O)OCCOC1CC1)n1cc[nH+]c1 ZINC001262188394 992779116 /nfs/dbraw/zinc/77/91/16/992779116.db2.gz PPGNGJFHYWGWLY-JTQLQIEISA-N 1 2 238.287 1.556 20 0 BDADLO C[C@@H](CC(=O)NC1CCC(=O)CC1)n1cc[nH+]c1 ZINC001262189785 992780107 /nfs/dbraw/zinc/78/01/07/992780107.db2.gz QWQOLXYQTFERFZ-JTQLQIEISA-N 1 2 249.314 1.462 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@@H]1CCCC[C@@H]1O ZINC001262240854 992815951 /nfs/dbraw/zinc/81/59/51/992815951.db2.gz KZMAUUHHJMOZMU-UWVGGRQHSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@@H]1CCCC[C@@H]1O ZINC001262240854 992815952 /nfs/dbraw/zinc/81/59/52/992815952.db2.gz KZMAUUHHJMOZMU-UWVGGRQHSA-N 1 2 241.360 1.521 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)OC ZINC001262275920 992819443 /nfs/dbraw/zinc/81/94/43/992819443.db2.gz PGLROBFTVPQXTQ-SRRSOLGSSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1ncccn1 ZINC001262258124 992821822 /nfs/dbraw/zinc/82/18/22/992821822.db2.gz ARCBYPVDRRSRBI-SNVBAGLBSA-N 1 2 245.330 1.796 20 0 BDADLO Cc1[nH+]cc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])n1C ZINC001574427558 992854610 /nfs/dbraw/zinc/85/46/10/992854610.db2.gz ZJZYRHOZGGLDRS-LDYMZIIASA-N 1 2 237.303 1.166 20 0 BDADLO Cc1[nH+]cc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])n1C ZINC001574427558 992854615 /nfs/dbraw/zinc/85/46/15/992854615.db2.gz ZJZYRHOZGGLDRS-LDYMZIIASA-N 1 2 237.303 1.166 20 0 BDADLO CCc1cc(N2CC(C)(O)C2)nc(CC)[nH+]1 ZINC001262361387 992856112 /nfs/dbraw/zinc/85/61/12/992856112.db2.gz LWFRKXQEWVXUED-UHFFFAOYSA-N 1 2 221.304 1.172 20 0 BDADLO Cc1nc([C@@H](C)Nc2cc(N(C)C)nc[nH+]2)no1 ZINC001262361383 992857823 /nfs/dbraw/zinc/85/78/23/992857823.db2.gz LQTAOCZFJKKQOK-SSDOTTSWSA-N 1 2 248.290 1.407 20 0 BDADLO Cc1nc([C@@H](C)Nc2cc(N(C)C)[nH+]cn2)no1 ZINC001262361383 992857825 /nfs/dbraw/zinc/85/78/25/992857825.db2.gz LQTAOCZFJKKQOK-SSDOTTSWSA-N 1 2 248.290 1.407 20 0 BDADLO CCN(C)c1nnnn1Cc1cc(C)[nH+]c(C)c1 ZINC001262441100 992879750 /nfs/dbraw/zinc/87/97/50/992879750.db2.gz JDJNTQZEKJDWRX-UHFFFAOYSA-N 1 2 246.318 1.189 20 0 BDADLO C[C@H](O)C[NH2+][C@@H](C)c1noc(C(F)F)n1 ZINC001262571872 992927298 /nfs/dbraw/zinc/92/72/98/992927298.db2.gz FJROSLVRKJLLIG-WHFBIAKZSA-N 1 2 221.207 1.039 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]1C(C)(C)C ZINC001262666738 993010441 /nfs/dbraw/zinc/01/04/41/993010441.db2.gz AMZMVGIAFNPOGF-GFCCVEGCSA-N 1 2 249.358 2.000 20 0 BDADLO CC(C)(C)[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001262667399 993011160 /nfs/dbraw/zinc/01/11/60/993011160.db2.gz UFYBINVRBWEPAG-LLVKDONJSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)(C)[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001262667399 993011165 /nfs/dbraw/zinc/01/11/65/993011165.db2.gz UFYBINVRBWEPAG-LLVKDONJSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC001262805035 993069859 /nfs/dbraw/zinc/06/98/59/993069859.db2.gz BZNHKYKHDWUQRN-LJUAHTATSA-N 1 2 248.326 1.872 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1c[nH]nn1)C1CCCCC1 ZINC001575658510 993091185 /nfs/dbraw/zinc/09/11/85/993091185.db2.gz NYFXUJHIJCKKLS-CABZTGNLSA-N 1 2 238.335 1.397 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@@H](O)C(C)C)no1 ZINC000379914874 993291791 /nfs/dbraw/zinc/29/17/91/993291791.db2.gz BGHIMDWFAYDZCJ-IONNQARKSA-N 1 2 213.281 1.046 20 0 BDADLO CN(C)c1cc(COC(=O)[C@H]2C[C@H]2F)cc[nH+]1 ZINC001263446840 993319224 /nfs/dbraw/zinc/31/92/24/993319224.db2.gz DEQDCDVWQAYDAU-VHSXEESVSA-N 1 2 238.262 1.549 20 0 BDADLO C[C@]1(CO)CCN(c2cc(N)cc(Cl)[nH+]2)C1 ZINC000381626037 993411062 /nfs/dbraw/zinc/41/10/62/993411062.db2.gz LEMLDDNCKOQJEJ-NSHDSACASA-N 1 2 241.722 1.526 20 0 BDADLO N#Cc1ccc(C[NH+]2CC(C(N)=O)C2)c(Cl)c1 ZINC000382341204 993450993 /nfs/dbraw/zinc/45/09/93/993450993.db2.gz BQBREKAVSOUFPT-UHFFFAOYSA-N 1 2 249.701 1.129 20 0 BDADLO CCn1cccc1C(=O)NCCn1cc[nH+]c1 ZINC001263707690 993471349 /nfs/dbraw/zinc/47/13/49/993471349.db2.gz QUAHCMMQMQQUJA-UHFFFAOYSA-N 1 2 232.287 1.135 20 0 BDADLO CNc1cc(CNC(=O)N2C[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC001263778950 993508387 /nfs/dbraw/zinc/50/83/87/993508387.db2.gz VIPPJOOKJCBFQG-ZJUUUORDSA-N 1 2 248.330 1.673 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2nccn2CC)cn1 ZINC000385412968 993658757 /nfs/dbraw/zinc/65/87/57/993658757.db2.gz YMJTWMHTCXVSAE-LLVKDONJSA-N 1 2 247.346 1.970 20 0 BDADLO CCCn1cc[nH+]c1CCCN(C)CC[NH3+] ZINC001577624696 993699803 /nfs/dbraw/zinc/69/98/03/993699803.db2.gz HHIPIHXYVVCOFI-UHFFFAOYSA-N 1 2 224.352 1.116 20 0 BDADLO Cc1cccnc1NC[C@H]1COCC[N@H+]1C ZINC000700168063 993823288 /nfs/dbraw/zinc/82/32/88/993823288.db2.gz NFOFUSAGWNGLIP-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO Cc1cccnc1NC[C@H]1COCC[N@@H+]1C ZINC000700168063 993823294 /nfs/dbraw/zinc/82/32/94/993823294.db2.gz NFOFUSAGWNGLIP-NSHDSACASA-N 1 2 221.304 1.133 20 0 BDADLO CCCC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001265303700 993839457 /nfs/dbraw/zinc/83/94/57/993839457.db2.gz NJRSPELYUAOFSP-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001265303700 993839458 /nfs/dbraw/zinc/83/94/58/993839458.db2.gz NJRSPELYUAOFSP-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1(C)CC1 ZINC000724735097 994075695 /nfs/dbraw/zinc/07/56/95/994075695.db2.gz QLNMQJQSEILCJO-NKWVEPMBSA-N 1 2 220.263 1.274 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724712614 994075922 /nfs/dbraw/zinc/07/59/22/994075922.db2.gz OVKUQIWRSBITRF-RNFRBKRXSA-N 1 2 220.263 1.131 20 0 BDADLO CC(C)CC1(NC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000724734262 994078164 /nfs/dbraw/zinc/07/81/64/994078164.db2.gz NFYFZQMYDDEVEZ-QMMMGPOBSA-N 1 2 234.290 1.664 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@H]2CC23CC3)[nH+]1 ZINC001304107998 994093559 /nfs/dbraw/zinc/09/35/59/994093559.db2.gz NFWVWPKWGXTRLQ-SNVBAGLBSA-N 1 2 233.315 1.949 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@H]2CC23CC3)c[nH+]1 ZINC001304107998 994093570 /nfs/dbraw/zinc/09/35/70/994093570.db2.gz NFWVWPKWGXTRLQ-SNVBAGLBSA-N 1 2 233.315 1.949 20 0 BDADLO C[C@H]1CC2(C[N@@H+]1Cc1nnc[nH]1)CCOCC2 ZINC001333604185 994483903 /nfs/dbraw/zinc/48/39/03/994483903.db2.gz FEVHGOYJDWTAJB-JTQLQIEISA-N 1 2 236.319 1.196 20 0 BDADLO C[C@H]1CC2(C[N@H+]1Cc1nnc[nH]1)CCOCC2 ZINC001333604185 994483909 /nfs/dbraw/zinc/48/39/09/994483909.db2.gz FEVHGOYJDWTAJB-JTQLQIEISA-N 1 2 236.319 1.196 20 0 BDADLO COCc1ccccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001291566778 994581366 /nfs/dbraw/zinc/58/13/66/994581366.db2.gz GQVFAWCZVBEJSL-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO Cc1noc(C)c1NC(=O)Cc1[nH]c[nH+]c1C ZINC001292167033 994601733 /nfs/dbraw/zinc/60/17/33/994601733.db2.gz DECDXECUJQWRNA-UHFFFAOYSA-N 1 2 234.259 1.504 20 0 BDADLO C[C@H](C(=O)N1CCOCC[C@@H]1C)n1cc[nH+]c1 ZINC001334806274 994642182 /nfs/dbraw/zinc/64/21/82/994642182.db2.gz ODDXBUIUEUHMPC-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO CO[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001294016187 994679062 /nfs/dbraw/zinc/67/90/62/994679062.db2.gz DRPQLPDRDHISDY-LLVKDONJSA-N 1 2 239.319 1.048 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)o1 ZINC001335298659 994713731 /nfs/dbraw/zinc/71/37/31/994713731.db2.gz MAOBCDRNIUXDKU-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccccc1O ZINC001294927566 994725517 /nfs/dbraw/zinc/72/55/17/994725517.db2.gz RVLODBRXQHRUAU-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@H]1CCCC1=O ZINC001296581921 994819866 /nfs/dbraw/zinc/81/98/66/994819866.db2.gz AUHCMXCCGSKDGL-LLVKDONJSA-N 1 2 249.314 1.149 20 0 BDADLO CC(C)ONC(=O)CCCn1cc[nH+]c1 ZINC001298554511 994933167 /nfs/dbraw/zinc/93/31/67/994933167.db2.gz IWXYERRPPRWYQJ-UHFFFAOYSA-N 1 2 211.265 1.120 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 ZINC001299910895 994982278 /nfs/dbraw/zinc/98/22/78/994982278.db2.gz GECKYUMWSUUNTO-FXPVBKGRSA-N 1 2 248.330 1.566 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 ZINC001299910895 994982294 /nfs/dbraw/zinc/98/22/94/994982294.db2.gz GECKYUMWSUUNTO-FXPVBKGRSA-N 1 2 248.330 1.566 20 0 BDADLO CCC[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001337480455 995198220 /nfs/dbraw/zinc/19/82/20/995198220.db2.gz ABJSKNLWFIDKNV-NSHDSACASA-N 1 2 235.331 1.754 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001339099400 995253679 /nfs/dbraw/zinc/25/36/79/995253679.db2.gz GNTRNHUYRMMNTG-VXGBXAGGSA-N 1 2 247.342 1.782 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@H+](Cc2nnc[nH]2)C1 ZINC001307768119 995454874 /nfs/dbraw/zinc/45/48/74/995454874.db2.gz LMNCMAUUQPZCEL-VHSXEESVSA-N 1 2 208.309 1.815 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc[nH]2)C1 ZINC001307768119 995454877 /nfs/dbraw/zinc/45/48/77/995454877.db2.gz LMNCMAUUQPZCEL-VHSXEESVSA-N 1 2 208.309 1.815 20 0 BDADLO CC(C)COCC[N@H+](C)Cc1ccn(C)n1 ZINC001308150127 995570512 /nfs/dbraw/zinc/57/05/12/995570512.db2.gz IEBMUMJGYZPSEF-UHFFFAOYSA-N 1 2 225.336 1.525 20 0 BDADLO CC(C)COCC[N@@H+](C)Cc1ccn(C)n1 ZINC001308150127 995570517 /nfs/dbraw/zinc/57/05/17/995570517.db2.gz IEBMUMJGYZPSEF-UHFFFAOYSA-N 1 2 225.336 1.525 20 0 BDADLO C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001594387444 999465640 /nfs/dbraw/zinc/46/56/40/999465640.db2.gz KZQFXNKZSFBJJV-GRYCIOLGSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001594387444 999465639 /nfs/dbraw/zinc/46/56/39/999465639.db2.gz KZQFXNKZSFBJJV-GRYCIOLGSA-N 1 2 240.347 1.314 20 0 BDADLO CCC(C)(CC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000360225895 168309419 /nfs/dbraw/zinc/30/94/19/168309419.db2.gz STBAAFAANUKGGM-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1ncc(C[N@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000628123067 343975717 /nfs/dbraw/zinc/97/57/17/343975717.db2.gz YCYJYERQKZKKFK-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000628123067 343975719 /nfs/dbraw/zinc/97/57/19/343975719.db2.gz YCYJYERQKZKKFK-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO CCc1csc(NCc2[nH+]ccn2CC)n1 ZINC000395425374 262787780 /nfs/dbraw/zinc/78/77/80/262787780.db2.gz DJRKNBCTVURMFB-UHFFFAOYSA-N 1 2 236.344 1.956 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)C[C@@H](C)O)nn1C ZINC000421356845 192322017 /nfs/dbraw/zinc/32/20/17/192322017.db2.gz METPSVVUHYNTIS-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)C[C@@H](C)O)nn1C ZINC000421356845 192322019 /nfs/dbraw/zinc/32/20/19/192322019.db2.gz METPSVVUHYNTIS-SSDOTTSWSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1c[nH+]ccc1CCNc1ncccn1 ZINC000269964806 398142290 /nfs/dbraw/zinc/14/22/90/398142290.db2.gz JSKPUAXUBBRGLW-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161602863 349484595 /nfs/dbraw/zinc/48/45/95/349484595.db2.gz VDEIVVXVDLOCOW-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO CCC(CC)([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OC ZINC000338353093 168331657 /nfs/dbraw/zinc/33/16/57/168331657.db2.gz YCPUMKFKGLSRSH-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649864075 398145141 /nfs/dbraw/zinc/14/51/41/398145141.db2.gz YNTXWPNCUWRTBM-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649864075 398145144 /nfs/dbraw/zinc/14/51/44/398145144.db2.gz YNTXWPNCUWRTBM-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO Cc1ccncc1C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000297496409 398145697 /nfs/dbraw/zinc/14/56/97/398145697.db2.gz VPFNXXZHHIEUMB-UHFFFAOYSA-N 1 2 245.326 1.100 20 0 BDADLO CCC(CC)([NH2+]CCn1cccn1)C(=O)OC ZINC000338354823 168331609 /nfs/dbraw/zinc/33/16/09/168331609.db2.gz KCOJXYSBHJYEDO-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@H]1C ZINC000246127883 398148000 /nfs/dbraw/zinc/14/80/00/398148000.db2.gz QCOYJUGKIKESJB-ZYHUDNBSSA-N 1 2 234.299 1.780 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@H]1C ZINC000246127883 398148004 /nfs/dbraw/zinc/14/80/04/398148004.db2.gz QCOYJUGKIKESJB-ZYHUDNBSSA-N 1 2 234.299 1.780 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000299684370 398152210 /nfs/dbraw/zinc/15/22/10/398152210.db2.gz SVQIYDVLIFGRMC-ZJUUUORDSA-N 1 2 207.277 1.045 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)no1 ZINC000372735327 178006427 /nfs/dbraw/zinc/00/64/27/178006427.db2.gz FBCAJYOMLJNRON-DLOVCJGASA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)no1 ZINC000372735327 178006429 /nfs/dbraw/zinc/00/64/29/178006429.db2.gz FBCAJYOMLJNRON-DLOVCJGASA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)ncn1 ZINC000292222379 178007891 /nfs/dbraw/zinc/00/78/91/178007891.db2.gz QVPPSZYFBAWLKX-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)ncn1 ZINC000292222379 178007892 /nfs/dbraw/zinc/00/78/92/178007892.db2.gz QVPPSZYFBAWLKX-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H](C)CCO)s1 ZINC000649870682 398157772 /nfs/dbraw/zinc/15/77/72/398157772.db2.gz GZEYHKLJGYFBJX-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H](C)CCO)s1 ZINC000649870682 398157777 /nfs/dbraw/zinc/15/77/77/398157777.db2.gz GZEYHKLJGYFBJX-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO Cc1cc(C)c(CNC(=O)C(C)(C)O)c[nH+]1 ZINC000397009386 398168379 /nfs/dbraw/zinc/16/83/79/398168379.db2.gz HPDAPKLPPKIMBN-UHFFFAOYSA-N 1 2 222.288 1.086 20 0 BDADLO Cc1cc(C[NH2+]Cc2conc2C)on1 ZINC000339241131 178026165 /nfs/dbraw/zinc/02/61/65/178026165.db2.gz WIFAQPXNKNUOJR-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO Cc1cc(C[NH2+]Cc2cncnc2)no1 ZINC000054768171 178026315 /nfs/dbraw/zinc/02/63/15/178026315.db2.gz PVBRWWJBBMMNNA-UHFFFAOYSA-N 1 2 204.233 1.063 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)on2)n(C)n1 ZINC000283713453 178031579 /nfs/dbraw/zinc/03/15/79/178031579.db2.gz AJSKPRUURZQNPY-JTQLQIEISA-N 1 2 234.303 1.876 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)ccn1 ZINC000527537513 398171725 /nfs/dbraw/zinc/17/17/25/398171725.db2.gz CNASDJJVFKQLNZ-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)ccn1 ZINC000527537513 398171728 /nfs/dbraw/zinc/17/17/28/398171728.db2.gz CNASDJJVFKQLNZ-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nccn2C)on1 ZINC000070008141 178031725 /nfs/dbraw/zinc/03/17/25/178031725.db2.gz FYZYTNWRTFODPP-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc(CN[C@@H](C)c2[nH+]ccn2C)on1 ZINC000070008141 178031726 /nfs/dbraw/zinc/03/17/26/178031726.db2.gz FYZYTNWRTFODPP-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)nn1C ZINC000336776674 178032247 /nfs/dbraw/zinc/03/22/47/178032247.db2.gz GHXLMCIWPAZLNX-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cncs1 ZINC000334208149 136215689 /nfs/dbraw/zinc/21/56/89/136215689.db2.gz JTOSTISIZKKPKQ-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)no1 ZINC000044424635 178037687 /nfs/dbraw/zinc/03/76/87/178037687.db2.gz KFOMWZVFXYCIQV-SECBINFHSA-N 1 2 239.319 1.376 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cnn(C)c2)no1 ZINC000044693418 178038278 /nfs/dbraw/zinc/03/82/78/178038278.db2.gz VMBPQGWPEOCSNF-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCC(=O)OC)[C@@H](C)CC ZINC000411483435 398182740 /nfs/dbraw/zinc/18/27/40/398182740.db2.gz VKNOELKOWDJOJG-GXSJLCMTSA-N 1 2 245.319 1.117 20 0 BDADLO CC1(C)C[N@H+](Cc2ccno2)[C@@H]2COC[C@H]2O1 ZINC000649910319 398182747 /nfs/dbraw/zinc/18/27/47/398182747.db2.gz NAMYQOYYUAOBJP-GHMZBOCLSA-N 1 2 238.287 1.053 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccno2)[C@@H]2COC[C@H]2O1 ZINC000649910319 398182748 /nfs/dbraw/zinc/18/27/48/398182748.db2.gz NAMYQOYYUAOBJP-GHMZBOCLSA-N 1 2 238.287 1.053 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1cnns1 ZINC000649354533 398166820 /nfs/dbraw/zinc/16/68/20/398166820.db2.gz OGGWPOLQYVHYTR-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1cnns1 ZINC000649354533 398166823 /nfs/dbraw/zinc/16/68/23/398166823.db2.gz OGGWPOLQYVHYTR-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO Cc1cc(F)ccc1C(=O)NCCn1cc[nH+]c1 ZINC000119300252 178082637 /nfs/dbraw/zinc/08/26/37/178082637.db2.gz NNZDOPXBNPHCMZ-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO CC(C)OCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649922713 398188810 /nfs/dbraw/zinc/18/88/10/398188810.db2.gz GEYJNCMZACRXDI-LLVKDONJSA-N 1 2 239.319 1.375 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(N)nc1 ZINC000380547800 398199672 /nfs/dbraw/zinc/19/96/72/398199672.db2.gz XUIREMZWCRLBEO-ZJUUUORDSA-N 1 2 221.304 1.103 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(N)nc1 ZINC000380547800 398199674 /nfs/dbraw/zinc/19/96/74/398199674.db2.gz XUIREMZWCRLBEO-ZJUUUORDSA-N 1 2 221.304 1.103 20 0 BDADLO Cc1cc([NH+](C)C)ccc1NCc1cnnn1C ZINC000155547461 178095201 /nfs/dbraw/zinc/09/52/01/178095201.db2.gz UKEUYMZVBMWLOJ-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cncnc1 ZINC000271004904 538923005 /nfs/dbraw/zinc/92/30/05/538923005.db2.gz MXTRJIAECUIHFK-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cncnc1 ZINC000271004904 538923007 /nfs/dbraw/zinc/92/30/07/538923007.db2.gz MXTRJIAECUIHFK-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO Cc1cc(N(C)CC(C)(C)O)nc(C2CC2)[nH+]1 ZINC000265290209 178097602 /nfs/dbraw/zinc/09/76/02/178097602.db2.gz BFUUKBQZCLXUGH-UHFFFAOYSA-N 1 2 235.331 1.870 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1CC(C)(F)C1 ZINC000649387000 398193780 /nfs/dbraw/zinc/19/37/80/398193780.db2.gz NTKWQXGGWZCBRN-UHFFFAOYSA-N 1 2 235.266 1.666 20 0 BDADLO Cc1cc(N(C)CCc2cnccn2)nc[nH+]1 ZINC000356799318 178098856 /nfs/dbraw/zinc/09/88/56/178098856.db2.gz XAGDPQLQHODJDH-UHFFFAOYSA-N 1 2 229.287 1.254 20 0 BDADLO Cc1cc(N(C)CCO)nc(C(C)C)[nH+]1 ZINC000040418941 178099371 /nfs/dbraw/zinc/09/93/71/178099371.db2.gz UEMIWDCHHVSVHN-UHFFFAOYSA-N 1 2 209.293 1.337 20 0 BDADLO Cc1cc(N(C)Cc2nc[nH]n2)nc(C(C)C)[nH+]1 ZINC000301560255 178100989 /nfs/dbraw/zinc/10/09/89/178100989.db2.gz KAYYUSSASOHFPZ-UHFFFAOYSA-N 1 2 246.318 1.663 20 0 BDADLO Cc1cc(N(C)Cc2nnc[nH]2)nc(C(C)C)[nH+]1 ZINC000301560255 178100991 /nfs/dbraw/zinc/10/09/91/178100991.db2.gz KAYYUSSASOHFPZ-UHFFFAOYSA-N 1 2 246.318 1.663 20 0 BDADLO C[C@@H](N[C@H](C)c1[nH+]ccn1C)c1ccon1 ZINC000336747810 398196592 /nfs/dbraw/zinc/19/65/92/398196592.db2.gz SFQXDERWKHZSRV-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1cc(N)nc(SCCC(C)(C)O)[nH+]1 ZINC000098008385 178108998 /nfs/dbraw/zinc/10/89/98/178108998.db2.gz ZZBHNAUMJVOAKK-UHFFFAOYSA-N 1 2 227.333 1.620 20 0 BDADLO Cc1cnc(CSc2nc(N)cc(C)[nH+]2)o1 ZINC000133871756 178109497 /nfs/dbraw/zinc/10/94/97/178109497.db2.gz ITUPRKXCSCMAKT-UHFFFAOYSA-N 1 2 236.300 1.956 20 0 BDADLO Cc1oncc1CSc1nc(N)cc(C)[nH+]1 ZINC000181737026 178110233 /nfs/dbraw/zinc/11/02/33/178110233.db2.gz FKJOXODNHHAYTB-UHFFFAOYSA-N 1 2 236.300 1.956 20 0 BDADLO Cc1cc(N)nc(SCC(=O)C2CC2)[nH+]1 ZINC000068044423 178110312 /nfs/dbraw/zinc/11/03/12/178110312.db2.gz HRJGXSNRBAUUDS-UHFFFAOYSA-N 1 2 223.301 1.438 20 0 BDADLO Cc1cc(N2CCOCC3(CCC3)C2)nc[nH+]1 ZINC000353278724 178116762 /nfs/dbraw/zinc/11/67/62/178116762.db2.gz XHYCYMVRVFBJHU-UHFFFAOYSA-N 1 2 233.315 1.792 20 0 BDADLO Cc1cc(N2CC[C@@](O)(C3CC3)C2)nc[nH+]1 ZINC000362843065 178118437 /nfs/dbraw/zinc/11/84/37/178118437.db2.gz ODEALPGAHKATBE-LBPRGKRZSA-N 1 2 219.288 1.136 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]cn2C)no1 ZINC000280160113 178128050 /nfs/dbraw/zinc/12/80/50/178128050.db2.gz GEZBDLJTDPHQSV-UHFFFAOYSA-N 1 2 234.259 1.288 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)sn1 ZINC000289298696 178129078 /nfs/dbraw/zinc/12/90/78/178129078.db2.gz VKDNNTPFXQAQDD-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@H]32)on1 ZINC000368256803 178131762 /nfs/dbraw/zinc/13/17/62/178131762.db2.gz BMSUMRFOECZTKR-GHMZBOCLSA-N 1 2 249.314 1.796 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@H]32)on1 ZINC000368256803 178131767 /nfs/dbraw/zinc/13/17/67/178131767.db2.gz BMSUMRFOECZTKR-GHMZBOCLSA-N 1 2 249.314 1.796 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]c(C)c2)[nH]n1 ZINC000154368287 178133954 /nfs/dbraw/zinc/13/39/54/178133954.db2.gz LICTVGVGOWLGPT-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000074684680 398207496 /nfs/dbraw/zinc/20/74/96/398207496.db2.gz VULGLFPIZKUMQS-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@](C)(O)C2)cc[nH+]1 ZINC000119163116 178136874 /nfs/dbraw/zinc/13/68/74/178136874.db2.gz PNVGYDHANRMDMD-ZDUSSCGKSA-N 1 2 249.314 1.769 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CCCO2)cc[nH+]1 ZINC000074753635 178141447 /nfs/dbraw/zinc/14/14/47/178141447.db2.gz DOODHFKBWWNLOR-LLVKDONJSA-N 1 2 235.287 1.691 20 0 BDADLO Cc1cc(NC(=O)Nc2cn[nH]c2)cc[nH+]1 ZINC000119268904 178142271 /nfs/dbraw/zinc/14/22/71/178142271.db2.gz GPLIWIDMRNYTFW-UHFFFAOYSA-N 1 2 217.232 1.757 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc[nH+]1 ZINC000189256572 178142508 /nfs/dbraw/zinc/14/25/08/178142508.db2.gz MXRDSAPRYZGJFD-GHMZBOCLSA-N 1 2 249.314 1.671 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000380376626 343984636 /nfs/dbraw/zinc/98/46/36/343984636.db2.gz DHVNYFLZGXDKHL-MNOVXSKESA-N 1 2 231.299 1.562 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000380376626 343984639 /nfs/dbraw/zinc/98/46/39/343984639.db2.gz DHVNYFLZGXDKHL-MNOVXSKESA-N 1 2 231.299 1.562 20 0 BDADLO Cc1cc(NCC(C)(C)C[C@H](C)O)nc[nH+]1 ZINC000301409605 178157384 /nfs/dbraw/zinc/15/73/84/178157384.db2.gz JGCLXEXWWLLDRE-JTQLQIEISA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cc(NCCCNC(=O)C2CCC2)nc[nH+]1 ZINC000301490746 178159285 /nfs/dbraw/zinc/15/92/85/178159285.db2.gz AZGOYVMGJLXPSK-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000429789907 398225237 /nfs/dbraw/zinc/22/52/37/398225237.db2.gz SBRZAQUGXSYNLX-WDEREUQCSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)ncn1 ZINC000110586472 178167032 /nfs/dbraw/zinc/16/70/32/178167032.db2.gz GPAQMFCYDYSKPM-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)ncn1 ZINC000110586472 178167033 /nfs/dbraw/zinc/16/70/33/178167033.db2.gz GPAQMFCYDYSKPM-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H]2CCCO2)o1 ZINC000075641371 398225456 /nfs/dbraw/zinc/22/54/56/398225456.db2.gz CITODNIFEKEYKP-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000075641371 398225459 /nfs/dbraw/zinc/22/54/59/398225459.db2.gz CITODNIFEKEYKP-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(NC[C@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000301352321 178169252 /nfs/dbraw/zinc/16/92/52/178169252.db2.gz LTTGXIAJYWDZHV-PSASIEDQSA-N 1 2 209.293 1.604 20 0 BDADLO COCc1nc(C[N@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000430282040 398225927 /nfs/dbraw/zinc/22/59/27/398225927.db2.gz DWYKAJCCZXWYRZ-VIFPVBQESA-N 1 2 237.303 1.614 20 0 BDADLO COCc1nc(C[N@@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000430282040 398225929 /nfs/dbraw/zinc/22/59/29/398225929.db2.gz DWYKAJCCZXWYRZ-VIFPVBQESA-N 1 2 237.303 1.614 20 0 BDADLO Cc1cc(NCc2nc(CO)cs2)nc[nH+]1 ZINC000302559513 178177120 /nfs/dbraw/zinc/17/71/20/178177120.db2.gz MMEUIFYYIDTSNJ-UHFFFAOYSA-N 1 2 236.300 1.346 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000649420947 398222577 /nfs/dbraw/zinc/22/25/77/398222577.db2.gz FPCRJAFLAZCCQU-NSHDSACASA-N 1 2 223.320 1.168 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCn2cc(C)nc2C1 ZINC000649420947 398222580 /nfs/dbraw/zinc/22/25/80/398222580.db2.gz FPCRJAFLAZCCQU-NSHDSACASA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc[nH+]1 ZINC000301481638 178181225 /nfs/dbraw/zinc/18/12/25/178181225.db2.gz SMNBJONNDJRHSG-SNVBAGLBSA-N 1 2 248.330 1.596 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@H]23)nc[nH+]1 ZINC000328790159 178181388 /nfs/dbraw/zinc/18/13/88/178181388.db2.gz LDXZSVNEWDWPBC-GHMZBOCLSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1cc(N[C@@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000309874892 178183114 /nfs/dbraw/zinc/18/31/14/178183114.db2.gz SENFKOFUCDNNHA-SNVBAGLBSA-N 1 2 219.288 1.863 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](O)[C@H]2C)[nH+]1 ZINC000649421202 398224050 /nfs/dbraw/zinc/22/40/50/398224050.db2.gz KTULYRIFXNZFOZ-LDYMZIIASA-N 1 2 246.314 1.616 20 0 BDADLO Cc1cc(Nc2[nH+]cccc2N)n(C)n1 ZINC000020272897 178193326 /nfs/dbraw/zinc/19/33/26/178193326.db2.gz XFXNLDXNUNHYTJ-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO COCC1(O)C[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421387785 192327028 /nfs/dbraw/zinc/32/70/28/192327028.db2.gz UIEOQACEKZDYKL-UHFFFAOYSA-N 1 2 247.338 1.757 20 0 BDADLO Cc1cc(OCCO)c2ccccc2[nH+]1 ZINC000053994817 178211257 /nfs/dbraw/zinc/21/12/57/178211257.db2.gz GTWXXABNJKCYPM-UHFFFAOYSA-N 1 2 203.241 1.914 20 0 BDADLO COc1cc[nH+]c(CN2CCC(F)(F)C2)c1 ZINC000334317829 136225527 /nfs/dbraw/zinc/22/55/27/136225527.db2.gz RDPROTRDUZAMGC-UHFFFAOYSA-N 1 2 228.242 1.931 20 0 BDADLO CC(C)CCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070819089 361769370 /nfs/dbraw/zinc/76/93/70/361769370.db2.gz VWXLLPUEYRRMBY-UHFFFAOYSA-N 1 2 245.348 1.217 20 0 BDADLO CC[C@](C)(CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000278467813 538934869 /nfs/dbraw/zinc/93/48/69/538934869.db2.gz WJDOEPRXHZYMNK-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO CC[C@](C)(CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000278467813 538934870 /nfs/dbraw/zinc/93/48/70/538934870.db2.gz WJDOEPRXHZYMNK-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO COc1ccncc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000276598580 538933009 /nfs/dbraw/zinc/93/30/09/538933009.db2.gz NXHSKULVSPCWOQ-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1ccncc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000276598580 538933010 /nfs/dbraw/zinc/93/30/10/538933010.db2.gz NXHSKULVSPCWOQ-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000334233915 136224484 /nfs/dbraw/zinc/22/44/84/136224484.db2.gz YPORDLSTRBBYOZ-WDEREUQCSA-N 1 2 234.347 1.845 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc2n1CCCCC2 ZINC000334233915 136224485 /nfs/dbraw/zinc/22/44/85/136224485.db2.gz YPORDLSTRBBYOZ-WDEREUQCSA-N 1 2 234.347 1.845 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000276520641 538933325 /nfs/dbraw/zinc/93/33/25/538933325.db2.gz ZRVVIXRNSWPKNW-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000276520641 538933327 /nfs/dbraw/zinc/93/33/27/538933327.db2.gz ZRVVIXRNSWPKNW-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1ccon1 ZINC000659947315 490107119 /nfs/dbraw/zinc/10/71/19/490107119.db2.gz MZKJNAIMIQOUTC-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccon1 ZINC000659947315 490107122 /nfs/dbraw/zinc/10/71/22/490107122.db2.gz MZKJNAIMIQOUTC-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421369344 192334553 /nfs/dbraw/zinc/33/45/53/192334553.db2.gz HJJGVZWSPPKNFD-KCJUWKMLSA-N 1 2 209.293 1.063 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000280005891 538936547 /nfs/dbraw/zinc/93/65/47/538936547.db2.gz SLPAKBYGKXUWRY-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000280005891 538936549 /nfs/dbraw/zinc/93/65/49/538936549.db2.gz SLPAKBYGKXUWRY-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCOC2)cc[nH+]1 ZINC000179817324 259305209 /nfs/dbraw/zinc/30/52/09/259305209.db2.gz YQSOVZPURJPMNH-JTQLQIEISA-N 1 2 221.260 1.300 20 0 BDADLO COC(=O)C[N@H+](C)Cc1csc(C)c1C ZINC000602442266 349527067 /nfs/dbraw/zinc/52/70/67/349527067.db2.gz JXFHHBVZZXYYPO-UHFFFAOYSA-N 1 2 227.329 1.970 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1csc(C)c1C ZINC000602442266 349527069 /nfs/dbraw/zinc/52/70/69/349527069.db2.gz JXFHHBVZZXYYPO-UHFFFAOYSA-N 1 2 227.329 1.970 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)[C@@H]2C)s1 ZINC000650083632 398234034 /nfs/dbraw/zinc/23/40/34/398234034.db2.gz IHOOLBFUMGVYJM-DTWKUNHWSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)[C@@H]2C)s1 ZINC000650083632 398234037 /nfs/dbraw/zinc/23/40/37/398234037.db2.gz IHOOLBFUMGVYJM-DTWKUNHWSA-N 1 2 241.360 1.617 20 0 BDADLO CC[C@@H](Nc1nnc(C)c(C)n1)c1[nH]cc[nH+]1 ZINC000165337565 136227008 /nfs/dbraw/zinc/22/70/08/136227008.db2.gz GFWQVSPSRSBLLB-SECBINFHSA-N 1 2 232.291 1.775 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)no1 ZINC000290853150 178258425 /nfs/dbraw/zinc/25/84/25/178258425.db2.gz ZRMIAPCLNAGDGU-UWVGGRQHSA-N 1 2 249.314 1.397 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2nccnc2c1 ZINC000602442004 349528649 /nfs/dbraw/zinc/52/86/49/349528649.db2.gz ILHSCACWWKFGKU-UHFFFAOYSA-N 1 2 245.282 1.235 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000602442004 349528650 /nfs/dbraw/zinc/52/86/50/349528650.db2.gz ILHSCACWWKFGKU-UHFFFAOYSA-N 1 2 245.282 1.235 20 0 BDADLO Cc1cc(N2CC[C@H](O)C(C)(C)C2)c(C#N)c[nH+]1 ZINC000399006459 398248706 /nfs/dbraw/zinc/24/87/06/398248706.db2.gz YPUZRZBVQVJBOZ-ZDUSSCGKSA-N 1 2 245.326 1.859 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1csnn1 ZINC000127805258 323005715 /nfs/dbraw/zinc/00/57/15/323005715.db2.gz JXTADRQZYGZEGB-SFYZADRCSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1csnn1 ZINC000127805258 323005716 /nfs/dbraw/zinc/00/57/16/323005716.db2.gz JXTADRQZYGZEGB-SFYZADRCSA-N 1 2 229.374 1.864 20 0 BDADLO O[C@@H](C[NH+]1CC(C(F)(F)F)C1)C(F)(F)F ZINC000576670037 365653679 /nfs/dbraw/zinc/65/36/79/365653679.db2.gz FRDVOZZXBOWFHE-YFKPBYRVSA-N 1 2 237.143 1.404 20 0 BDADLO COc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cn1 ZINC000286255389 538943611 /nfs/dbraw/zinc/94/36/11/538943611.db2.gz UUSKVKVXAAPWJE-QMMMGPOBSA-N 1 2 218.260 1.986 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000576646979 365649067 /nfs/dbraw/zinc/64/90/67/365649067.db2.gz APCDRGPDFCROLF-YEPSODPASA-N 1 2 243.257 1.358 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000576646979 365649072 /nfs/dbraw/zinc/64/90/72/365649072.db2.gz APCDRGPDFCROLF-YEPSODPASA-N 1 2 243.257 1.358 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)o1 ZINC000291437486 538948022 /nfs/dbraw/zinc/94/80/22/538948022.db2.gz LYWRYYXMSKIOJX-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC(C)(C)C ZINC000291502211 538948217 /nfs/dbraw/zinc/94/82/17/538948217.db2.gz SFEHOFSWHLSUJQ-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCCS1 ZINC000291478465 538948268 /nfs/dbraw/zinc/94/82/68/538948268.db2.gz PXJSGQQLXOATRB-JTQLQIEISA-N 1 2 239.344 1.322 20 0 BDADLO CCc1cc(N[C@@H](CC)[C@H](C)O)nc[nH+]1 ZINC000386668278 398265586 /nfs/dbraw/zinc/26/55/86/398265586.db2.gz FWPGHLHABVAEQT-WPRPVWTQSA-N 1 2 209.293 1.610 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000070979159 178379294 /nfs/dbraw/zinc/37/92/94/178379294.db2.gz KCXRLRJEZMPDQE-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178363936 538952671 /nfs/dbraw/zinc/95/26/71/538952671.db2.gz CXQPKOVWPLSCTG-MWLCHTKSSA-N 1 2 229.283 1.607 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)s1 ZINC000046463255 178393122 /nfs/dbraw/zinc/39/31/22/178393122.db2.gz QWDFIRFXTQMODR-UHFFFAOYSA-N 1 2 224.329 1.444 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCCc1ccco1 ZINC000620364816 343999583 /nfs/dbraw/zinc/99/95/83/343999583.db2.gz LBIZHRJWPXUQRI-UHFFFAOYSA-N 1 2 247.298 1.684 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCCc1ccco1 ZINC000620364816 343999586 /nfs/dbraw/zinc/99/95/86/343999586.db2.gz LBIZHRJWPXUQRI-UHFFFAOYSA-N 1 2 247.298 1.684 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000366928184 136233565 /nfs/dbraw/zinc/23/35/65/136233565.db2.gz RNIQQJNZQNREGL-UHFFFAOYSA-N 1 2 238.310 1.624 20 0 BDADLO FCCn1ncnc1C[N@H+]1CCCC2(CC2)C1 ZINC000366928184 136233566 /nfs/dbraw/zinc/23/35/66/136233566.db2.gz RNIQQJNZQNREGL-UHFFFAOYSA-N 1 2 238.310 1.624 20 0 BDADLO CCC1(CO)CC[NH+](CC(F)F)CC1 ZINC000179509719 538955246 /nfs/dbraw/zinc/95/52/46/538955246.db2.gz LXLWFDFJSYEETK-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO CCOC1CC[NH+](Cc2csnn2)CC1 ZINC000179501083 538955554 /nfs/dbraw/zinc/95/55/54/538955554.db2.gz SDTYMGIJCTYFEJ-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)cc1 ZINC000336424928 178414788 /nfs/dbraw/zinc/41/47/88/178414788.db2.gz VZJKVKGFSYQKSP-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CC(F)(F)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000378866451 346849830 /nfs/dbraw/zinc/84/98/30/346849830.db2.gz BRMHMLHWHUCXMM-UHFFFAOYSA-N 1 2 239.216 1.893 20 0 BDADLO CCc1cnc(CNCc2[nH]cc[nH+]2)s1 ZINC000164906183 361833443 /nfs/dbraw/zinc/83/34/43/361833443.db2.gz CPZOFABEKQYAKG-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650507699 398276049 /nfs/dbraw/zinc/27/60/49/398276049.db2.gz JWCFDONKSLSZAQ-UTUOFQBUSA-N 1 2 249.314 1.099 20 0 BDADLO CCC(CC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047621034 168380009 /nfs/dbraw/zinc/38/00/09/168380009.db2.gz AECHFWPWQHKYNB-JTQLQIEISA-N 1 2 238.335 1.759 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000600154637 342692485 /nfs/dbraw/zinc/69/24/85/342692485.db2.gz FXBARACOSGZKGJ-PDEGPIFNSA-N 1 2 241.331 1.199 20 0 BDADLO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)[C@H]1CCCO1 ZINC000183108039 538966028 /nfs/dbraw/zinc/96/60/28/538966028.db2.gz QFNSLZYXYSLNJA-PSASIEDQSA-N 1 2 237.303 1.604 20 0 BDADLO CCc1noc(C[N@@H+]2CCS[C@H](C)[C@H]2C)n1 ZINC000605317374 342750228 /nfs/dbraw/zinc/75/02/28/342750228.db2.gz WIXSGOQZJPQMNY-RKDXNWHRSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1noc(C[N@H+]2CCS[C@H](C)[C@H]2C)n1 ZINC000605317374 342750230 /nfs/dbraw/zinc/75/02/30/342750230.db2.gz WIXSGOQZJPQMNY-RKDXNWHRSA-N 1 2 241.360 1.958 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366723320 168383383 /nfs/dbraw/zinc/38/33/83/168383383.db2.gz ZIOIZENIYXGBGW-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](O)C2CC2)cc(C)[nH+]1 ZINC000616364776 342723505 /nfs/dbraw/zinc/72/35/05/342723505.db2.gz OPMGRHYOBDZVCE-LBPRGKRZSA-N 1 2 234.299 1.086 20 0 BDADLO c1c(C[NH+]2CCSCC2)nn2c1CCCC2 ZINC000649488092 398283757 /nfs/dbraw/zinc/28/37/57/398283757.db2.gz BRVNDODXHDCTLI-UHFFFAOYSA-N 1 2 237.372 1.768 20 0 BDADLO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000183832647 538967363 /nfs/dbraw/zinc/96/73/63/538967363.db2.gz HDVXMURCNFZCOF-MRVPVSSYSA-N 1 2 238.335 1.141 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1ccco1 ZINC000042366266 342773822 /nfs/dbraw/zinc/77/38/22/342773822.db2.gz OSQWZAZRCDYJTJ-UHFFFAOYSA-N 1 2 224.304 1.628 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1ccco1 ZINC000042366266 342773824 /nfs/dbraw/zinc/77/38/24/342773824.db2.gz OSQWZAZRCDYJTJ-UHFFFAOYSA-N 1 2 224.304 1.628 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC1CSC1 ZINC000616396581 342777036 /nfs/dbraw/zinc/77/70/36/342777036.db2.gz KWRORYTWUXJYJW-UHFFFAOYSA-N 1 2 239.344 1.130 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCC1CSC1 ZINC000616396581 342777038 /nfs/dbraw/zinc/77/70/38/342777038.db2.gz KWRORYTWUXJYJW-UHFFFAOYSA-N 1 2 239.344 1.130 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1sc(C)nc1C ZINC000607727314 342782425 /nfs/dbraw/zinc/78/24/25/342782425.db2.gz ZRIQPWGXRAFXSR-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1sc(C)nc1C ZINC000607727314 342782426 /nfs/dbraw/zinc/78/24/26/342782426.db2.gz ZRIQPWGXRAFXSR-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2CSC2)c[nH+]1 ZINC000616400635 342784188 /nfs/dbraw/zinc/78/41/88/342784188.db2.gz POVHIKCPEOTUGP-UHFFFAOYSA-N 1 2 225.317 1.201 20 0 BDADLO CC(C)N(CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC000630027203 361905022 /nfs/dbraw/zinc/90/50/22/361905022.db2.gz OITUAERRRRWDLP-UHFFFAOYSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@](O)(C[C@@H](O)C[N@@H+]1CCC=C(F)C1)C1CC1 ZINC000630041103 361909235 /nfs/dbraw/zinc/90/92/35/361909235.db2.gz DUBHEZCDVQFYNX-OLZOCXBDSA-N 1 2 243.322 1.458 20 0 BDADLO C[C@](O)(C[C@@H](O)C[N@H+]1CCC=C(F)C1)C1CC1 ZINC000630041103 361909237 /nfs/dbraw/zinc/90/92/37/361909237.db2.gz DUBHEZCDVQFYNX-OLZOCXBDSA-N 1 2 243.322 1.458 20 0 BDADLO O=c1c2c([nH]n1-c1ccccc1Cl)CC[NH2+]C2 ZINC000634582914 342799955 /nfs/dbraw/zinc/79/99/55/342799955.db2.gz FYTLJBBPKKGXRC-QMMMGPOBSA-N 1 2 249.701 1.652 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000624653841 342810667 /nfs/dbraw/zinc/81/06/67/342810667.db2.gz DJACIBZPFQCUNF-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000624653841 342810669 /nfs/dbraw/zinc/81/06/69/342810669.db2.gz DJACIBZPFQCUNF-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cc[nH]n2)s1 ZINC000164838553 342811467 /nfs/dbraw/zinc/81/14/67/342811467.db2.gz MPKQUYLIDLNSDQ-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cn1c2ccccc2[nH]c1=[NH+]C[C@H]1C[C@@H](O)C1 ZINC000624666907 342813959 /nfs/dbraw/zinc/81/39/59/342813959.db2.gz VTMFWZFFUGAUPN-AOOOYVTPSA-N 1 2 231.299 1.178 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@H](OC)C1 ZINC000624724452 342822280 /nfs/dbraw/zinc/82/22/80/342822280.db2.gz AJMDIZFZRQLGCD-KYZUINATSA-N 1 2 208.261 1.680 20 0 BDADLO Cn1cc[nH+]c1-c1ccnc(N2CCOCC2)c1 ZINC000630053613 361923337 /nfs/dbraw/zinc/92/33/37/361923337.db2.gz WWSFXNNXVDUVBL-UHFFFAOYSA-N 1 2 244.298 1.319 20 0 BDADLO C[C@H](c1noc(C[NH+](C)C)n1)c1cnccn1 ZINC000624736503 342824377 /nfs/dbraw/zinc/82/43/77/342824377.db2.gz FOKIRPDFLYGDCJ-QMMMGPOBSA-N 1 2 233.275 1.073 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000335464468 398289671 /nfs/dbraw/zinc/28/96/71/398289671.db2.gz JTEULFLSWGIGHO-ABKXIKBNSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000335464468 398289673 /nfs/dbraw/zinc/28/96/73/398289673.db2.gz JTEULFLSWGIGHO-ABKXIKBNSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1noc([C@@H]2OCC[C@@H]2Nc2cccc[nH+]2)n1 ZINC000624749520 342826638 /nfs/dbraw/zinc/82/66/38/342826638.db2.gz MBAAUQCGLTXDKE-GXSJLCMTSA-N 1 2 246.270 1.715 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000380836271 538993581 /nfs/dbraw/zinc/99/35/81/538993581.db2.gz ROQSXONQIBBFLJ-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000380836271 538993582 /nfs/dbraw/zinc/99/35/82/538993582.db2.gz ROQSXONQIBBFLJ-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO CCc1cc(N[C@H]2[C@@H]3COC[C@@H]32)nc[nH+]1 ZINC000379929508 538982322 /nfs/dbraw/zinc/98/23/22/538982322.db2.gz NOZPKPBZFTWSOE-JZYVYDRUSA-N 1 2 205.261 1.096 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCCc2occc21 ZINC000192916539 538999121 /nfs/dbraw/zinc/99/91/21/538999121.db2.gz UBCAXJRMQJPFHK-SNVBAGLBSA-N 1 2 232.287 1.575 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1CSc2ccccc21 ZINC000389333001 539016048 /nfs/dbraw/zinc/01/60/48/539016048.db2.gz RWDYVSVTZORZFS-JTQLQIEISA-N 1 2 246.339 1.752 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000389316327 539016338 /nfs/dbraw/zinc/01/63/38/539016338.db2.gz ZRHQWXQGCHQYEH-GFCCVEGCSA-N 1 2 244.298 1.176 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2ccco2)n1 ZINC000625063226 342847686 /nfs/dbraw/zinc/84/76/86/342847686.db2.gz XABXBCGIUQNMEZ-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2ccco2)n1 ZINC000625063226 342847687 /nfs/dbraw/zinc/84/76/87/342847687.db2.gz XABXBCGIUQNMEZ-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO Clc1csc(NCC[NH+]2CCOCC2)n1 ZINC000164975068 342861417 /nfs/dbraw/zinc/86/14/17/342861417.db2.gz VEHNVHPJUMYZSL-UHFFFAOYSA-N 1 2 247.751 1.541 20 0 BDADLO CCc1cc(NCC(=O)N2CCCCC2)nc[nH+]1 ZINC000134650027 342874729 /nfs/dbraw/zinc/87/47/29/342874729.db2.gz RRLGLXBTWLCYIW-UHFFFAOYSA-N 1 2 248.330 1.463 20 0 BDADLO CCn1ccnc1[C@H](C)Nc1nc(C)[nH+]cc1C ZINC000584004167 342899927 /nfs/dbraw/zinc/89/99/27/342899927.db2.gz CAPQTFMSKGKJRW-JTQLQIEISA-N 1 2 245.330 1.905 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000336343291 398318093 /nfs/dbraw/zinc/31/80/93/398318093.db2.gz JIIPJHUJESPBLG-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000336343291 398318095 /nfs/dbraw/zinc/31/80/95/398318095.db2.gz JIIPJHUJESPBLG-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO Cc1occc1CNC(=O)CCn1cc[nH+]c1 ZINC000625160658 342897636 /nfs/dbraw/zinc/89/76/36/342897636.db2.gz QDKLXMBCCKXUHI-UHFFFAOYSA-N 1 2 233.271 1.491 20 0 BDADLO Cc1nc(N[C@@H](C)C(=O)N2CCCCC2)cc[nH+]1 ZINC000134779120 342885584 /nfs/dbraw/zinc/88/55/84/342885584.db2.gz FYYDWQDAXVMOFP-JTQLQIEISA-N 1 2 248.330 1.598 20 0 BDADLO CCO[C@@H](C[N@H+](C)CC(F)F)C1CC1 ZINC000625136364 342887504 /nfs/dbraw/zinc/88/75/04/342887504.db2.gz KXPPPVXCSIUYCE-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO CCO[C@@H](C[N@@H+](C)CC(F)F)C1CC1 ZINC000625136364 342887506 /nfs/dbraw/zinc/88/75/06/342887506.db2.gz KXPPPVXCSIUYCE-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO Cc1cc(N)nc(SCc2ncccn2)[nH+]1 ZINC000148612462 398313458 /nfs/dbraw/zinc/31/34/58/398313458.db2.gz RSBYWLYOBSPZPI-UHFFFAOYSA-N 1 2 233.300 1.450 20 0 BDADLO CC[N@@H+](Cc1noc(CCOC)n1)CC(C)C ZINC000351337838 136244875 /nfs/dbraw/zinc/24/48/75/136244875.db2.gz JLJRONHFTWQBOA-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO CC[N@H+](Cc1noc(CCOC)n1)CC(C)C ZINC000351337838 136244876 /nfs/dbraw/zinc/24/48/76/136244876.db2.gz JLJRONHFTWQBOA-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000625190126 342905600 /nfs/dbraw/zinc/90/56/00/342905600.db2.gz UPLFTUPKDIXXPE-ZETCQYMHSA-N 1 2 227.333 1.228 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000625190126 342905601 /nfs/dbraw/zinc/90/56/01/342905601.db2.gz UPLFTUPKDIXXPE-ZETCQYMHSA-N 1 2 227.333 1.228 20 0 BDADLO CCCCc1cc(N[C@@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000631093505 342924513 /nfs/dbraw/zinc/92/45/13/342924513.db2.gz XXCXRZFPBVWFQZ-LLVKDONJSA-N 1 2 248.330 1.462 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000351603320 136247344 /nfs/dbraw/zinc/24/73/44/136247344.db2.gz QIOXQCXBSHVFGD-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000351603320 136247345 /nfs/dbraw/zinc/24/73/45/136247345.db2.gz QIOXQCXBSHVFGD-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO c1ccc(OCC[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351617951 136247877 /nfs/dbraw/zinc/24/78/77/136247877.db2.gz FXCLWWJLOUHNPA-UHFFFAOYSA-N 1 2 244.298 1.242 20 0 BDADLO c1ccc(OCC[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351617951 136247878 /nfs/dbraw/zinc/24/78/78/136247878.db2.gz FXCLWWJLOUHNPA-UHFFFAOYSA-N 1 2 244.298 1.242 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000625222204 342919701 /nfs/dbraw/zinc/91/97/01/342919701.db2.gz PWXZLFGGKSSUEE-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000625222204 342919702 /nfs/dbraw/zinc/91/97/02/342919702.db2.gz PWXZLFGGKSSUEE-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO Cc1nc(N2CCCC(C)(C)CC2)nc(N)[nH+]1 ZINC000383827199 342931067 /nfs/dbraw/zinc/93/10/67/342931067.db2.gz RVBAEIRPLOCYAZ-UHFFFAOYSA-N 1 2 235.335 1.609 20 0 BDADLO Cc1nc(N)nc(N2CCCC(C)(C)CC2)[nH+]1 ZINC000383827199 342931068 /nfs/dbraw/zinc/93/10/68/342931068.db2.gz RVBAEIRPLOCYAZ-UHFFFAOYSA-N 1 2 235.335 1.609 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)[C@@H](C)[C@@H](C)O1 ZINC000351652121 136249128 /nfs/dbraw/zinc/24/91/28/136249128.db2.gz RQNYSMUXGCVEHA-KXUCPTDWSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)[C@@H](C)[C@@H](C)O1 ZINC000351652121 136249129 /nfs/dbraw/zinc/24/91/29/136249129.db2.gz RQNYSMUXGCVEHA-KXUCPTDWSA-N 1 2 210.277 1.672 20 0 BDADLO COC(=O)c1csc(C[NH2+]CC(F)F)c1 ZINC000602652880 349660350 /nfs/dbraw/zinc/66/03/50/349660350.db2.gz DSKUXWIHJUBUIN-UHFFFAOYSA-N 1 2 235.255 1.889 20 0 BDADLO COC(=O)c1cc(C[NH2+]CC(F)F)[nH]c1C ZINC000602654416 349660916 /nfs/dbraw/zinc/66/09/16/349660916.db2.gz MBCLDTFYCWDCBW-UHFFFAOYSA-N 1 2 232.230 1.464 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000602682867 349675526 /nfs/dbraw/zinc/67/55/26/349675526.db2.gz SOORZIQHEXNPHI-XHNCKOQMSA-N 1 2 235.274 1.960 20 0 BDADLO CO[C@@](C)(C[NH2+][C@@H](C)C(=O)OC(C)C)C1CC1 ZINC000602679350 349671699 /nfs/dbraw/zinc/67/16/99/349671699.db2.gz DLVZEZDBTIZGLU-GWCFXTLKSA-N 1 2 243.347 1.731 20 0 BDADLO COC[C@H]([NH2+]Cc1cnc(C)nc1)c1ccco1 ZINC000351751264 136251041 /nfs/dbraw/zinc/25/10/41/136251041.db2.gz AKTRVRASEKWKDL-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)C(=O)OC(C)C)CC(C)C ZINC000602679766 349672686 /nfs/dbraw/zinc/67/26/86/349672686.db2.gz JCVLWDNVOPDJDI-NWDGAFQWSA-N 1 2 245.363 1.977 20 0 BDADLO C[C@H]1CC[C@H]2C(=O)N(CC[NH+]3CCCCC3)N=C21 ZINC000634592194 342945909 /nfs/dbraw/zinc/94/59/09/342945909.db2.gz BAADRGLDWIJMRM-NWDGAFQWSA-N 1 2 249.358 1.717 20 0 BDADLO C[C@H]1CCc2c(=O)n(CC[NH+]3CCCCC3)[nH]c21 ZINC000634592194 342945911 /nfs/dbraw/zinc/94/59/11/342945911.db2.gz BAADRGLDWIJMRM-NWDGAFQWSA-N 1 2 249.358 1.717 20 0 BDADLO CCc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000634593948 342953254 /nfs/dbraw/zinc/95/32/54/342953254.db2.gz FUZDDXSBXJJQLZ-GFCCVEGCSA-N 1 2 243.310 1.561 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](OC)C1CC1 ZINC000602692559 349689993 /nfs/dbraw/zinc/68/99/93/349689993.db2.gz AVWHVDKJCLAOTR-VXGBXAGGSA-N 1 2 241.331 1.343 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H](OC)C1 ZINC000234804256 342954941 /nfs/dbraw/zinc/95/49/41/342954941.db2.gz ZZRQTRDRFRWMEM-SFYZADRCSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H](OC)C1 ZINC000234804256 342954942 /nfs/dbraw/zinc/95/49/42/342954942.db2.gz ZZRQTRDRFRWMEM-SFYZADRCSA-N 1 2 238.291 1.047 20 0 BDADLO COC1CC([N@H+](C)Cc2nnc(C)s2)C1 ZINC000352201429 536719937 /nfs/dbraw/zinc/71/99/37/536719937.db2.gz FUCLTVSKQMKRLW-UHFFFAOYSA-N 1 2 227.333 1.456 20 0 BDADLO COC1CC([N@@H+](C)Cc2nnc(C)s2)C1 ZINC000352201429 536719941 /nfs/dbraw/zinc/71/99/41/536719941.db2.gz FUCLTVSKQMKRLW-UHFFFAOYSA-N 1 2 227.333 1.456 20 0 BDADLO CCc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)n(C)n1 ZINC000492901398 529537792 /nfs/dbraw/zinc/53/77/92/529537792.db2.gz PCWOJAAYNHPCGO-PLNGDYQASA-N 1 2 245.286 1.358 20 0 BDADLO COC1CC([N@H+](C)Cc2noc(C(C)C)n2)C1 ZINC000352231091 536719836 /nfs/dbraw/zinc/71/98/36/536719836.db2.gz OUOJDIXHEGBBII-UHFFFAOYSA-N 1 2 239.319 1.802 20 0 BDADLO COC1CC([N@@H+](C)Cc2noc(C(C)C)n2)C1 ZINC000352231091 536719840 /nfs/dbraw/zinc/71/98/40/536719840.db2.gz OUOJDIXHEGBBII-UHFFFAOYSA-N 1 2 239.319 1.802 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000495857451 529552074 /nfs/dbraw/zinc/55/20/74/529552074.db2.gz IAESZKGIIOCPMH-NXEZZACHSA-N 1 2 230.283 1.261 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000495857451 529552078 /nfs/dbraw/zinc/55/20/78/529552078.db2.gz IAESZKGIIOCPMH-NXEZZACHSA-N 1 2 230.283 1.261 20 0 BDADLO CCO[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000625617505 344020174 /nfs/dbraw/zinc/02/01/74/344020174.db2.gz DYXHAUJGUNDLKY-LBPRGKRZSA-N 1 2 249.314 1.082 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ncccn1 ZINC000492495822 529556169 /nfs/dbraw/zinc/55/61/69/529556169.db2.gz YYIXKCABILHYFH-SNAWJCMRSA-N 1 2 243.270 1.345 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ncccn1 ZINC000492495821 529561459 /nfs/dbraw/zinc/56/14/59/529561459.db2.gz YYIXKCABILHYFH-PLNGDYQASA-N 1 2 243.270 1.345 20 0 BDADLO COC1CC([N@H+](C)Cc2cscn2)C1 ZINC000352203340 536720022 /nfs/dbraw/zinc/72/00/22/536720022.db2.gz QXXKAZCKUUGECG-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO COC1CC([N@@H+](C)Cc2cscn2)C1 ZINC000352203340 536720029 /nfs/dbraw/zinc/72/00/29/536720029.db2.gz QXXKAZCKUUGECG-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CC[C@H]1C ZINC000492890106 529560804 /nfs/dbraw/zinc/56/08/04/529560804.db2.gz JFLAHPNSXKQTFS-GYHQZXBOSA-N 1 2 233.315 1.831 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ccn1 ZINC000235184128 342989816 /nfs/dbraw/zinc/98/98/16/342989816.db2.gz FQEKZZMSSVBMLS-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccoc1C ZINC000602765611 349722128 /nfs/dbraw/zinc/72/21/28/349722128.db2.gz XIDDTJZGYVGFON-UHFFFAOYSA-N 1 2 221.304 1.823 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccoc1C ZINC000602765611 349722129 /nfs/dbraw/zinc/72/21/29/349722129.db2.gz XIDDTJZGYVGFON-UHFFFAOYSA-N 1 2 221.304 1.823 20 0 BDADLO CCOC(=O)c1ncc(C[N@H+](C)C2CC2)s1 ZINC000602764805 349734728 /nfs/dbraw/zinc/73/47/28/349734728.db2.gz YILAXALCDMMFED-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CCOC(=O)c1ncc(C[N@@H+](C)C2CC2)s1 ZINC000602764805 349734730 /nfs/dbraw/zinc/73/47/30/349734730.db2.gz YILAXALCDMMFED-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000602821418 349762248 /nfs/dbraw/zinc/76/22/48/349762248.db2.gz MEHQTXZGSBIHIL-GFCCVEGCSA-N 1 2 233.319 1.350 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000602821418 349762253 /nfs/dbraw/zinc/76/22/53/349762253.db2.gz MEHQTXZGSBIHIL-GFCCVEGCSA-N 1 2 233.319 1.350 20 0 BDADLO CC[C@H](C)[N@H+](CCN(C#N)CC)CC(=O)OC ZINC000602825069 349764365 /nfs/dbraw/zinc/76/43/65/349764365.db2.gz JNQIVGRXYJLDBD-NSHDSACASA-N 1 2 241.335 1.063 20 0 BDADLO CC[C@H](C)[N@@H+](CCN(C#N)CC)CC(=O)OC ZINC000602825069 349764368 /nfs/dbraw/zinc/76/43/68/349764368.db2.gz JNQIVGRXYJLDBD-NSHDSACASA-N 1 2 241.335 1.063 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000602828540 349766371 /nfs/dbraw/zinc/76/63/71/349766371.db2.gz HACJEJFWQCZSDL-ZDUSSCGKSA-N 1 2 247.346 1.740 20 0 BDADLO CCN(C#N)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000602828540 349766373 /nfs/dbraw/zinc/76/63/73/349766373.db2.gz HACJEJFWQCZSDL-ZDUSSCGKSA-N 1 2 247.346 1.740 20 0 BDADLO CC[C@@H]1C[N@H+](CCN(C#N)CC)C[C@@H](C)O1 ZINC000602782960 349748559 /nfs/dbraw/zinc/74/85/59/349748559.db2.gz KQYACSFGTJUJQV-VXGBXAGGSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@@H]1C[N@@H+](CCN(C#N)CC)C[C@@H](C)O1 ZINC000602782960 349748563 /nfs/dbraw/zinc/74/85/63/349748563.db2.gz KQYACSFGTJUJQV-VXGBXAGGSA-N 1 2 225.336 1.289 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccsc1 ZINC000037989065 343040064 /nfs/dbraw/zinc/04/00/64/343040064.db2.gz ZPXMJIBSEBVBKA-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1nccs1 ZINC000335911202 136263201 /nfs/dbraw/zinc/26/32/01/136263201.db2.gz JNMYMEKAYGWCDW-HTQZYQBOSA-N 1 2 225.317 1.564 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(C)cc1C ZINC000053097062 343032030 /nfs/dbraw/zinc/03/20/30/343032030.db2.gz RLMVKDGEFRFHFD-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(C)cc1C ZINC000053097062 343032031 /nfs/dbraw/zinc/03/20/31/343032031.db2.gz RLMVKDGEFRFHFD-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO CC[C@H](C)c1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000634633835 343046756 /nfs/dbraw/zinc/04/67/56/343046756.db2.gz HQJXXBMYIIPWLW-NSHDSACASA-N 1 2 248.330 1.908 20 0 BDADLO CCc1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000634633900 343046783 /nfs/dbraw/zinc/04/67/83/343046783.db2.gz JECYERYLCKVSSU-UHFFFAOYSA-N 1 2 220.276 1.272 20 0 BDADLO CCN1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000022860084 343056116 /nfs/dbraw/zinc/05/61/16/343056116.db2.gz GIQZQRJGOYFYSX-UHFFFAOYSA-N 1 2 246.354 1.897 20 0 BDADLO Cc1csc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000344548288 365704037 /nfs/dbraw/zinc/70/40/37/365704037.db2.gz CTAKSBCZCJXHJT-UHFFFAOYSA-N 1 2 235.312 1.683 20 0 BDADLO Cc1nc(NCC(C)(C)C(C)(C)O)cc[nH+]1 ZINC000393562334 259346404 /nfs/dbraw/zinc/34/64/04/259346404.db2.gz MDIVKIIWXPOTGN-UHFFFAOYSA-N 1 2 223.320 1.416 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnn[nH]2)C[C@@H](C)C1(F)F ZINC000625654270 344027004 /nfs/dbraw/zinc/02/70/04/344027004.db2.gz XVHRHJMRBBPNEH-HTQZYQBOSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@@H]1C[NH+](Cc2c[nH]nn2)C[C@@H](C)C1(F)F ZINC000625654270 344027006 /nfs/dbraw/zinc/02/70/06/344027006.db2.gz XVHRHJMRBBPNEH-HTQZYQBOSA-N 1 2 230.262 1.528 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)[C@@H](C)O ZINC000386685153 343090818 /nfs/dbraw/zinc/09/08/18/343090818.db2.gz JBZROPZXCBSEEH-MNOVXSKESA-N 1 2 237.347 1.902 20 0 BDADLO CCCC[C@H]([NH2+]C1CSC1)C(=O)OC ZINC000389195121 343075980 /nfs/dbraw/zinc/07/59/80/343075980.db2.gz ACWTZDMVNXVREW-VIFPVBQESA-N 1 2 217.334 1.423 20 0 BDADLO COCC[N@H+](C)Cc1cn(CC=C(C)C)nn1 ZINC000640845043 362062622 /nfs/dbraw/zinc/06/26/22/362062622.db2.gz LLPDTSIAZQOTBB-UHFFFAOYSA-N 1 2 238.335 1.323 20 0 BDADLO COCC[N@@H+](C)Cc1cn(CC=C(C)C)nn1 ZINC000640845043 362062631 /nfs/dbraw/zinc/06/26/31/362062631.db2.gz LLPDTSIAZQOTBB-UHFFFAOYSA-N 1 2 238.335 1.323 20 0 BDADLO CC(C)=CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640845038 362062644 /nfs/dbraw/zinc/06/26/44/362062644.db2.gz LJGXQUYVRPXCFK-UHFFFAOYSA-N 1 2 217.276 1.489 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309962712 343114296 /nfs/dbraw/zinc/11/42/96/343114296.db2.gz MCAYKBUAVVFNMN-UWVGGRQHSA-N 1 2 219.288 1.943 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cncs1 ZINC000678139220 488204683 /nfs/dbraw/zinc/20/46/83/488204683.db2.gz NBCIZZPHXUZXRE-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cncs1 ZINC000678139220 488204685 /nfs/dbraw/zinc/20/46/85/488204685.db2.gz NBCIZZPHXUZXRE-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)CC2CC2)[nH+]1 ZINC000576880641 365713527 /nfs/dbraw/zinc/71/35/27/365713527.db2.gz AXJXMVLWFFPGAA-UHFFFAOYSA-N 1 2 221.304 1.870 20 0 BDADLO COC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCC1 ZINC000421579284 192355446 /nfs/dbraw/zinc/35/54/46/192355446.db2.gz UBBIBLSXLXGNNK-UHFFFAOYSA-N 1 2 248.326 1.884 20 0 BDADLO CN(C(=O)C[NH+]1CC(C)(C)C1)c1nccs1 ZINC000576954306 365731593 /nfs/dbraw/zinc/73/15/93/365731593.db2.gz IMOUBSVZZFGAJV-UHFFFAOYSA-N 1 2 239.344 1.448 20 0 BDADLO CO[C@H](C)CCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125398001 343173464 /nfs/dbraw/zinc/17/34/64/343173464.db2.gz RDOFRLMHRPFQKE-RKDXNWHRSA-N 1 2 225.292 1.402 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)C1CCCCC1 ZINC000134805690 343195559 /nfs/dbraw/zinc/19/55/59/343195559.db2.gz JMIVEBSLYRQDIF-UHFFFAOYSA-N 1 2 236.319 1.836 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)C1CCCCC1 ZINC000134805690 343195561 /nfs/dbraw/zinc/19/55/61/343195561.db2.gz JMIVEBSLYRQDIF-UHFFFAOYSA-N 1 2 236.319 1.836 20 0 BDADLO C[C@@H](NC(=O)c1ccccc1O)c1[nH]cc[nH+]1 ZINC000139755014 343197570 /nfs/dbraw/zinc/19/75/70/343197570.db2.gz YHZQSKIIGUICCC-MRVPVSSYSA-N 1 2 231.255 1.606 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(C)C ZINC000160212480 343203535 /nfs/dbraw/zinc/20/35/35/343203535.db2.gz HLUJYUIFKYUYGK-MNOVXSKESA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(C)C ZINC000160212587 343203575 /nfs/dbraw/zinc/20/35/75/343203575.db2.gz HLUJYUIFKYUYGK-GHMZBOCLSA-N 1 2 243.347 1.731 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccc(CO)o1 ZINC000161165819 343204071 /nfs/dbraw/zinc/20/40/71/343204071.db2.gz LLAHEXJEAXKAON-UHFFFAOYSA-N 1 2 225.288 1.383 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccc(CO)o1 ZINC000161165819 343204074 /nfs/dbraw/zinc/20/40/74/343204074.db2.gz LLAHEXJEAXKAON-UHFFFAOYSA-N 1 2 225.288 1.383 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C(C)C)C1 ZINC000163749219 343207199 /nfs/dbraw/zinc/20/71/99/343207199.db2.gz NWAVZFABTAUEQV-VIFPVBQESA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C(C)C)C1 ZINC000163749219 343207201 /nfs/dbraw/zinc/20/72/01/343207201.db2.gz NWAVZFABTAUEQV-VIFPVBQESA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H](C)C(C)C ZINC000134902712 343191775 /nfs/dbraw/zinc/19/17/75/343191775.db2.gz YPLXNBKNBOLPKB-MRVPVSSYSA-N 1 2 224.308 1.771 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H](C)C(C)C ZINC000134902712 343191777 /nfs/dbraw/zinc/19/17/77/343191777.db2.gz YPLXNBKNBOLPKB-MRVPVSSYSA-N 1 2 224.308 1.771 20 0 BDADLO CC(C)c1nnc(NCc2[nH+]ccn2C)o1 ZINC000134439503 343194616 /nfs/dbraw/zinc/19/46/16/343194616.db2.gz OKYHVXQCFSOMLP-UHFFFAOYSA-N 1 2 221.264 1.539 20 0 BDADLO C/C=C\c1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030587 362145107 /nfs/dbraw/zinc/14/51/07/362145107.db2.gz BHDLQWRHXMXJNH-ARJAWSKDSA-N 1 2 230.271 1.763 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000121458581 343266615 /nfs/dbraw/zinc/26/66/15/343266615.db2.gz LZBHSYNSPYKUKN-VXGBXAGGSA-N 1 2 233.315 1.125 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCC1CCC1 ZINC000121508649 343267142 /nfs/dbraw/zinc/26/71/42/343267142.db2.gz XKILZEVFOUOICP-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000121545385 343267727 /nfs/dbraw/zinc/26/77/27/343267727.db2.gz UKUDFJQMJBAXSI-SECBINFHSA-N 1 2 221.304 1.125 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H](C)C1CC1 ZINC000297573393 136291177 /nfs/dbraw/zinc/29/11/77/136291177.db2.gz WZELVINAEYUEGP-VIFPVBQESA-N 1 2 236.319 1.501 20 0 BDADLO CN(C)c1ccc(NCc2cc[nH]n2)c[nH+]1 ZINC000036989125 343329863 /nfs/dbraw/zinc/32/98/63/343329863.db2.gz DJPIGWRIUQVYBU-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO Cc1ccc(NC(=O)COC(F)F)c(C)[nH+]1 ZINC000353929455 136294495 /nfs/dbraw/zinc/29/44/95/136294495.db2.gz CNUAAKREUUGYLZ-UHFFFAOYSA-N 1 2 230.214 1.876 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CCC(=O)C2)cc(C)[nH+]1 ZINC000335635381 136300866 /nfs/dbraw/zinc/30/08/66/136300866.db2.gz VEAQKABZVFASSG-GFCCVEGCSA-N 1 2 246.310 1.684 20 0 BDADLO CCN1CC[N@H+](Cc2cc(C)ccc2C)CC1=O ZINC000348804882 136301465 /nfs/dbraw/zinc/30/14/65/136301465.db2.gz FTDCMMBVSIOVGU-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO CCN1CC[N@@H+](Cc2cc(C)ccc2C)CC1=O ZINC000348804882 136301466 /nfs/dbraw/zinc/30/14/66/136301466.db2.gz FTDCMMBVSIOVGU-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335673323 136317275 /nfs/dbraw/zinc/31/72/75/136317275.db2.gz UHXHXQPDJHCKRO-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335673323 136317276 /nfs/dbraw/zinc/31/72/76/136317276.db2.gz UHXHXQPDJHCKRO-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO COC(C)(C)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070327 362179753 /nfs/dbraw/zinc/17/97/53/362179753.db2.gz BFFQKNVOUWXYKV-UHFFFAOYSA-N 1 2 246.314 1.911 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000335652669 136305700 /nfs/dbraw/zinc/30/57/00/136305700.db2.gz ODOAPYWVQQEUEW-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO c1c[nH]c(C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000335652669 136305701 /nfs/dbraw/zinc/30/57/01/136305701.db2.gz ODOAPYWVQQEUEW-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO Cc1csc(C[N@@H+]2CCSC[C@@H]2CO)n1 ZINC000335672245 136313799 /nfs/dbraw/zinc/31/37/99/136313799.db2.gz GZHARSGAWBXZPA-VIFPVBQESA-N 1 2 244.385 1.361 20 0 BDADLO Cc1csc(C[N@H+]2CCSC[C@@H]2CO)n1 ZINC000335672245 136313800 /nfs/dbraw/zinc/31/38/00/136313800.db2.gz GZHARSGAWBXZPA-VIFPVBQESA-N 1 2 244.385 1.361 20 0 BDADLO CC1=CC[N@H+](CC(=O)c2cccn2C)CC1 ZINC000335663722 136315820 /nfs/dbraw/zinc/31/58/20/136315820.db2.gz JKGYJPWMMBACCL-UHFFFAOYSA-N 1 2 218.300 1.860 20 0 BDADLO CC1=CC[N@@H+](CC(=O)c2cccn2C)CC1 ZINC000335663722 136315821 /nfs/dbraw/zinc/31/58/21/136315821.db2.gz JKGYJPWMMBACCL-UHFFFAOYSA-N 1 2 218.300 1.860 20 0 BDADLO CC(C)(C)OC(=O)NCCn1cc[nH+]c1 ZINC000039093507 343381891 /nfs/dbraw/zinc/38/18/91/343381891.db2.gz FNIMVUXGQFAIQX-UHFFFAOYSA-N 1 2 211.265 1.408 20 0 BDADLO CC(C)(C)c1nc(NC(C)(C)CO)cc[nH+]1 ZINC000079038158 343394710 /nfs/dbraw/zinc/39/47/10/343394710.db2.gz ZTWGTRVPRBENPT-UHFFFAOYSA-N 1 2 223.320 1.957 20 0 BDADLO CCOCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609317299 343414694 /nfs/dbraw/zinc/41/46/94/343414694.db2.gz SEHCMIFSDUBKTP-UHFFFAOYSA-N 1 2 249.310 1.825 20 0 BDADLO CCOCC[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609317299 343414695 /nfs/dbraw/zinc/41/46/95/343414695.db2.gz SEHCMIFSDUBKTP-UHFFFAOYSA-N 1 2 249.310 1.825 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)CF ZINC000349050712 136321224 /nfs/dbraw/zinc/32/12/24/136321224.db2.gz ULBYBESPMGPUIQ-VIFPVBQESA-N 1 2 242.298 1.319 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ncnn1C ZINC000335722904 136344174 /nfs/dbraw/zinc/34/41/74/136344174.db2.gz WQDZBZZEAIJQPD-YUMQZZPRSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ncnn1C ZINC000335722904 136344175 /nfs/dbraw/zinc/34/41/75/136344175.db2.gz WQDZBZZEAIJQPD-YUMQZZPRSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ncnn1C ZINC000335722898 136344355 /nfs/dbraw/zinc/34/43/55/136344355.db2.gz WQDZBZZEAIJQPD-HTQZYQBOSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ncnn1C ZINC000335722898 136344356 /nfs/dbraw/zinc/34/43/56/136344356.db2.gz WQDZBZZEAIJQPD-HTQZYQBOSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1C[C@@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641083483 362203612 /nfs/dbraw/zinc/20/36/12/362203612.db2.gz VQXWJLUJKKQEDC-VHSXEESVSA-N 1 2 217.276 1.179 20 0 BDADLO C[C@@H]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000335720442 136345826 /nfs/dbraw/zinc/34/58/26/136345826.db2.gz UPGHMEHWSXAEND-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO CC(C)C[C@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641092915 362219912 /nfs/dbraw/zinc/21/99/12/362219912.db2.gz NRFPBNJXVOBUEM-JQWIXIFHSA-N 1 2 238.335 1.546 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@]1(C)CCOC1 ZINC000335704351 136335116 /nfs/dbraw/zinc/33/51/16/136335116.db2.gz ZQLRMQLVIOUYBE-CYBMUJFWSA-N 1 2 249.314 1.360 20 0 BDADLO Cc1noc(C[NH+]2C[C@@H](C)S[C@H](C)C2)n1 ZINC000335714198 136338512 /nfs/dbraw/zinc/33/85/12/136338512.db2.gz REGRIQNMTJPFEA-HTQZYQBOSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1noc(C[NH+]2C[C@H](C)S[C@@H](C)C2)n1 ZINC000335714200 136338924 /nfs/dbraw/zinc/33/89/24/136338924.db2.gz REGRIQNMTJPFEA-YUMQZZPRSA-N 1 2 227.333 1.704 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1=CCCCC1 ZINC000335716127 136339068 /nfs/dbraw/zinc/33/90/68/136339068.db2.gz LUWMCHFPCOJIIQ-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@](F)(CO)C1 ZINC000335896841 136359431 /nfs/dbraw/zinc/35/94/31/136359431.db2.gz FONWJDJOKLPHED-CYBMUJFWSA-N 1 2 249.289 1.484 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000335899673 136360126 /nfs/dbraw/zinc/36/01/26/136360126.db2.gz QDXDEEWCSVQMHF-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@H+](C)C[C@@H]2C)s1 ZINC000335899673 136360127 /nfs/dbraw/zinc/36/01/27/136360127.db2.gz QDXDEEWCSVQMHF-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2CC(C)C)nc(N)[nH+]1 ZINC000395102465 362244483 /nfs/dbraw/zinc/24/44/83/362244483.db2.gz JENUDLMCLOIJMR-RKDXNWHRSA-N 1 2 221.308 1.439 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@H]2CC(C)C)[nH+]1 ZINC000395102465 362244485 /nfs/dbraw/zinc/24/44/85/362244485.db2.gz JENUDLMCLOIJMR-RKDXNWHRSA-N 1 2 221.308 1.439 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C ZINC000167004545 136368102 /nfs/dbraw/zinc/36/81/02/136368102.db2.gz YOARMMSFSKZVMQ-WZRBSPASSA-N 1 2 238.375 1.927 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000351248953 136368589 /nfs/dbraw/zinc/36/85/89/136368589.db2.gz IGVVFFNMPLBULT-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000351248953 136368590 /nfs/dbraw/zinc/36/85/90/136368590.db2.gz IGVVFFNMPLBULT-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000351501912 136368932 /nfs/dbraw/zinc/36/89/32/136368932.db2.gz IXZOKAXGDWOTJA-WRWORJQWSA-N 1 2 221.304 1.219 20 0 BDADLO CC[C@H](SC)C(=O)N1CC[NH+](CC)CC1 ZINC000351501154 136369066 /nfs/dbraw/zinc/36/90/66/136369066.db2.gz WQORMESQPQPASB-JTQLQIEISA-N 1 2 230.377 1.292 20 0 BDADLO CSC1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000602919674 349809558 /nfs/dbraw/zinc/80/95/58/349809558.db2.gz KMFISRGTRNLTKL-QMMMGPOBSA-N 1 2 241.364 1.099 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000577003055 365753228 /nfs/dbraw/zinc/75/32/28/365753228.db2.gz MSDKWXQYQLQZPB-LBPRGKRZSA-N 1 2 248.326 1.742 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000577003055 365753232 /nfs/dbraw/zinc/75/32/32/365753232.db2.gz MSDKWXQYQLQZPB-LBPRGKRZSA-N 1 2 248.326 1.742 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)c1ccc(F)cc1 ZINC000082818292 343467533 /nfs/dbraw/zinc/46/75/33/343467533.db2.gz OBVQTAPGMHATEC-INIZCTEOSA-N 1 2 238.287 1.867 20 0 BDADLO CCOC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000083889905 343505635 /nfs/dbraw/zinc/50/56/35/343505635.db2.gz WGFLOAOHOMGWET-UHFFFAOYSA-N 1 2 239.237 1.824 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOCC2)cs1 ZINC000076723535 343498661 /nfs/dbraw/zinc/49/86/61/343498661.db2.gz UIGVWSFWINKOEH-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO Cc1nc(C[N@H+]2CCCOCC2)cs1 ZINC000076723535 343498663 /nfs/dbraw/zinc/49/86/63/343498663.db2.gz UIGVWSFWINKOEH-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000048142517 343571953 /nfs/dbraw/zinc/57/19/53/343571953.db2.gz ZAMSVGOGSFZQMO-NXEZZACHSA-N 1 2 225.288 1.752 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ccn1 ZINC000616775587 343564197 /nfs/dbraw/zinc/56/41/97/343564197.db2.gz KMTSUSBZRHMDHA-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)ccn1 ZINC000616775587 343564199 /nfs/dbraw/zinc/56/41/99/343564199.db2.gz KMTSUSBZRHMDHA-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)CC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000118971996 343585993 /nfs/dbraw/zinc/58/59/93/343585993.db2.gz GITKSVFTNLWHAL-JTQLQIEISA-N 1 2 245.319 1.117 20 0 BDADLO CC[C@@H](OC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000049446949 343598394 /nfs/dbraw/zinc/59/83/94/343598394.db2.gz PPEFPSDWNKTCKW-LLVKDONJSA-N 1 2 247.298 1.376 20 0 BDADLO CCc1cc(N2CC[C@@H](C(=O)OC)C2)nc[nH+]1 ZINC000083530069 343626604 /nfs/dbraw/zinc/62/66/04/343626604.db2.gz MZCCZAZJUCHSCW-SECBINFHSA-N 1 2 235.287 1.038 20 0 BDADLO CCc1cc(N[C@H](C)[C@H](C)CO)nc[nH+]1 ZINC000077227656 343672083 /nfs/dbraw/zinc/67/20/83/343672083.db2.gz AXBHKRCSYCJHQJ-RKDXNWHRSA-N 1 2 209.293 1.468 20 0 BDADLO CCc1cc(NC[C@H](C)C[C@H](C)O)nc[nH+]1 ZINC000077228690 343672753 /nfs/dbraw/zinc/67/27/53/343672753.db2.gz LQKKMHZWYYWUAG-ZJUUUORDSA-N 1 2 223.320 1.858 20 0 BDADLO COC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000053907016 343654143 /nfs/dbraw/zinc/65/41/43/343654143.db2.gz XFGGZHOVVSFANR-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOC(C)C ZINC000087613341 343654788 /nfs/dbraw/zinc/65/47/88/343654788.db2.gz QCKCGISZOYMCCN-JTQLQIEISA-N 1 2 217.309 1.295 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOC(C)C ZINC000087613341 343654791 /nfs/dbraw/zinc/65/47/91/343654791.db2.gz QCKCGISZOYMCCN-JTQLQIEISA-N 1 2 217.309 1.295 20 0 BDADLO CCCCOCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000119146610 343657210 /nfs/dbraw/zinc/65/72/10/343657210.db2.gz XIAKUVHAEHVBDJ-NSHDSACASA-N 1 2 245.363 1.980 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000088052644 343698685 /nfs/dbraw/zinc/69/86/85/343698685.db2.gz IKULANXMCZBLPT-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C[C@H](C)CC)C(=O)OC ZINC000576041489 343699593 /nfs/dbraw/zinc/69/95/93/343699593.db2.gz GRCZUMATSRQEEU-GRYCIOLGSA-N 1 2 245.363 1.979 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccncc1 ZINC000602985202 349837398 /nfs/dbraw/zinc/83/73/98/349837398.db2.gz QWBOPUFXZJKMTQ-UHFFFAOYSA-N 1 2 246.310 1.752 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccncc1 ZINC000602985202 349837399 /nfs/dbraw/zinc/83/73/99/349837399.db2.gz QWBOPUFXZJKMTQ-UHFFFAOYSA-N 1 2 246.310 1.752 20 0 BDADLO C[C@H](CC(=O)N(C)C1CCC1)n1cc[nH+]c1 ZINC000570336253 323056771 /nfs/dbraw/zinc/05/67/71/323056771.db2.gz WAZKNUSFGHDEGY-SNVBAGLBSA-N 1 2 221.304 1.845 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634714872 343705444 /nfs/dbraw/zinc/70/54/44/343705444.db2.gz SKCDJJWCRLKQNP-NXEZZACHSA-N 1 2 237.290 1.143 20 0 BDADLO Cc1nccc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625435770 343733112 /nfs/dbraw/zinc/73/31/12/343733112.db2.gz VQZVUHULKCOMAU-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO C[N@H+](CC=Cc1ccncc1)Cc1cc[nH]n1 ZINC000494932964 529820360 /nfs/dbraw/zinc/82/03/60/529820360.db2.gz ROZRVFBGYIKVAI-NSCUHMNNSA-N 1 2 228.299 1.950 20 0 BDADLO C[N@@H+](CC=Cc1ccncc1)Cc1cc[nH]n1 ZINC000494932964 529820361 /nfs/dbraw/zinc/82/03/61/529820361.db2.gz ROZRVFBGYIKVAI-NSCUHMNNSA-N 1 2 228.299 1.950 20 0 BDADLO Cc1cnc([C@H](C)N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000625435087 343736450 /nfs/dbraw/zinc/73/64/50/343736450.db2.gz NDZLPXWYIFNAOE-JTQLQIEISA-N 1 2 243.314 1.627 20 0 BDADLO FC(F)(F)COCCN1CCc2[nH+]c[nH]c2C1 ZINC000625438804 343740624 /nfs/dbraw/zinc/74/06/24/343740624.db2.gz YRANRUPORXIWHU-UHFFFAOYSA-N 1 2 249.236 1.347 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000584165819 343767834 /nfs/dbraw/zinc/76/78/34/343767834.db2.gz UHZKQXBLXMLGLQ-JTQLQIEISA-N 1 2 249.314 1.151 20 0 BDADLO CC(=O)N1CC([NH2+][C@@H](C)c2nccs2)C1 ZINC000584182832 343770791 /nfs/dbraw/zinc/77/07/91/343770791.db2.gz LWRIIFLLYVDJIN-ZETCQYMHSA-N 1 2 225.317 1.024 20 0 BDADLO CCC[N@H+](Cc1ccno1)[C@@H](C)C(=O)OCC ZINC000584218193 343773165 /nfs/dbraw/zinc/77/31/65/343773165.db2.gz BIASNGBWLWJZPT-JTQLQIEISA-N 1 2 240.303 1.838 20 0 BDADLO CCC[N@@H+](Cc1ccno1)[C@@H](C)C(=O)OCC ZINC000584218193 343773168 /nfs/dbraw/zinc/77/31/68/343773168.db2.gz BIASNGBWLWJZPT-JTQLQIEISA-N 1 2 240.303 1.838 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](O)C(F)(F)C1 ZINC000624393449 343750747 /nfs/dbraw/zinc/75/07/47/343750747.db2.gz ZONYCALGIQABCL-SECBINFHSA-N 1 2 244.241 1.297 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1C2CCC1CC2 ZINC000584116058 343760907 /nfs/dbraw/zinc/76/09/07/343760907.db2.gz GDZJKOKCIRKFOR-UNXYVOJBSA-N 1 2 245.326 1.599 20 0 BDADLO FCC[NH+]1CCN(c2cc(Cl)ncn2)CC1 ZINC000402706641 343811405 /nfs/dbraw/zinc/81/14/05/343811405.db2.gz LFHHPRBSWFLZSE-UHFFFAOYSA-N 1 2 244.701 1.222 20 0 BDADLO C[C@H]([NH2+]CC(C)(F)F)c1ccnn1C ZINC000381975413 346997140 /nfs/dbraw/zinc/99/71/40/346997140.db2.gz ABXOSNBCPZIORG-ZETCQYMHSA-N 1 2 203.236 1.726 20 0 BDADLO Cn1nncc1C[NH+]1CC(C)(c2ccccc2)C1 ZINC000621733870 343883947 /nfs/dbraw/zinc/88/39/47/343883947.db2.gz AAEFWRUPURNGBH-UHFFFAOYSA-N 1 2 242.326 1.589 20 0 BDADLO CCO[C@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000625489121 343884954 /nfs/dbraw/zinc/88/49/54/343884954.db2.gz LZLSGQNPAVGSPV-JTQLQIEISA-N 1 2 225.292 1.087 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370814 347008545 /nfs/dbraw/zinc/00/85/45/347008545.db2.gz NDRYSAHOJPUOHD-ZJUUUORDSA-N 1 2 233.315 1.587 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370814 347008547 /nfs/dbraw/zinc/00/85/47/347008547.db2.gz NDRYSAHOJPUOHD-ZJUUUORDSA-N 1 2 233.315 1.587 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000603232037 349892109 /nfs/dbraw/zinc/89/21/09/349892109.db2.gz TWJVKVROEIWDOS-VXGBXAGGSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000603232037 349892111 /nfs/dbraw/zinc/89/21/11/349892111.db2.gz TWJVKVROEIWDOS-VXGBXAGGSA-N 1 2 242.363 1.115 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1nc(C)no1)C1CC1 ZINC000625519853 343917273 /nfs/dbraw/zinc/91/72/73/343917273.db2.gz ZHHOCAWGZLRFLM-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1nc(C)no1)C1CC1 ZINC000625519853 343917274 /nfs/dbraw/zinc/91/72/74/343917274.db2.gz ZHHOCAWGZLRFLM-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775107 529951723 /nfs/dbraw/zinc/95/17/23/529951723.db2.gz XQTVDPCOTVLMRO-DZGUGMOBSA-N 1 2 249.314 1.042 20 0 BDADLO CC(C)OCCCNc1cc(CO)cc[nH+]1 ZINC000641253838 362333200 /nfs/dbraw/zinc/33/32/00/362333200.db2.gz FFLLUHOYBOZWIL-UHFFFAOYSA-N 1 2 224.304 1.223 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1C ZINC000641243695 362319037 /nfs/dbraw/zinc/31/90/37/362319037.db2.gz MXWJTMIJMDJDJC-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1C ZINC000641243695 362319042 /nfs/dbraw/zinc/31/90/42/362319042.db2.gz MXWJTMIJMDJDJC-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO O=C(C[N@H+]1Cc2ccc(O)cc2C1)N1CCCC1 ZINC000625724398 344057272 /nfs/dbraw/zinc/05/72/72/344057272.db2.gz FZAHYTNONGGRPQ-UHFFFAOYSA-N 1 2 246.310 1.330 20 0 BDADLO O=C(C[N@@H+]1Cc2ccc(O)cc2C1)N1CCCC1 ZINC000625724398 344057274 /nfs/dbraw/zinc/05/72/74/344057274.db2.gz FZAHYTNONGGRPQ-UHFFFAOYSA-N 1 2 246.310 1.330 20 0 BDADLO CN(C(=O)C[N@@H+]1Cc2ccc(O)cc2C1)C1CC1 ZINC000625726520 344057891 /nfs/dbraw/zinc/05/78/91/344057891.db2.gz MBSPSMYGSIOUGZ-UHFFFAOYSA-N 1 2 246.310 1.329 20 0 BDADLO CN(C(=O)C[N@H+]1Cc2ccc(O)cc2C1)C1CC1 ZINC000625726520 344057894 /nfs/dbraw/zinc/05/78/94/344057894.db2.gz MBSPSMYGSIOUGZ-UHFFFAOYSA-N 1 2 246.310 1.329 20 0 BDADLO Cn1c[nH+]cc1CN1Cc2ccc(O)cc2C1 ZINC000625727405 344058564 /nfs/dbraw/zinc/05/85/64/344058564.db2.gz WLKIVHOFWNNYFY-UHFFFAOYSA-N 1 2 229.283 1.642 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]1C)CC2 ZINC000641248565 362323057 /nfs/dbraw/zinc/32/30/57/362323057.db2.gz XUWWHUMWXGCNMV-WDEREUQCSA-N 1 2 233.315 1.375 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1c1ccsc1 ZINC000625743477 344062329 /nfs/dbraw/zinc/06/23/29/344062329.db2.gz XSVGYXPIPUBCGT-WDEREUQCSA-N 1 2 247.323 1.891 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1c1ccsc1 ZINC000625743477 344062330 /nfs/dbraw/zinc/06/23/30/344062330.db2.gz XSVGYXPIPUBCGT-WDEREUQCSA-N 1 2 247.323 1.891 20 0 BDADLO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cn[nH]c2)C1 ZINC000304221996 344070001 /nfs/dbraw/zinc/07/00/01/344070001.db2.gz HWRLLPGSXXNZHA-JQWIXIFHSA-N 1 2 222.336 1.545 20 0 BDADLO CC[N@H+]1CCC[C@H](N[C@@H](C)c2cn[nH]c2)C1 ZINC000304221996 344070002 /nfs/dbraw/zinc/07/00/02/344070002.db2.gz HWRLLPGSXXNZHA-JQWIXIFHSA-N 1 2 222.336 1.545 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625773463 344070550 /nfs/dbraw/zinc/07/05/50/344070550.db2.gz WOHIUMITYAXSDR-SECBINFHSA-N 1 2 244.289 1.997 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCCC(F)(F)CC1 ZINC000625773463 344070551 /nfs/dbraw/zinc/07/05/51/344070551.db2.gz WOHIUMITYAXSDR-SECBINFHSA-N 1 2 244.289 1.997 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000641241934 362302432 /nfs/dbraw/zinc/30/24/32/362302432.db2.gz KWWRZBLHRIUHNN-NXEZZACHSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@H]1CCN(c2cccnn2)C[C@H]1n1cc[nH+]c1 ZINC000584249168 344111561 /nfs/dbraw/zinc/11/15/61/344111561.db2.gz YSADBNVQOWDJJJ-NWDGAFQWSA-N 1 2 243.314 1.761 20 0 BDADLO C[C@H](CNc1cc(CO)cc[nH+]1)Cn1cccn1 ZINC000641297164 362349558 /nfs/dbraw/zinc/34/95/58/362349558.db2.gz AWMFLTNEKZYBEE-LLVKDONJSA-N 1 2 246.314 1.519 20 0 BDADLO CC(F)(F)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000558949569 344089399 /nfs/dbraw/zinc/08/93/99/344089399.db2.gz PORLMCHODQRVSW-UHFFFAOYSA-N 1 2 242.273 1.788 20 0 BDADLO CC(F)(F)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000558949569 344089400 /nfs/dbraw/zinc/08/94/00/344089400.db2.gz PORLMCHODQRVSW-UHFFFAOYSA-N 1 2 242.273 1.788 20 0 BDADLO CC(C)CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000079933934 344121319 /nfs/dbraw/zinc/12/13/19/344121319.db2.gz GKLWDCCQGWLDKS-UHFFFAOYSA-N 1 2 221.304 1.530 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000625853960 344125644 /nfs/dbraw/zinc/12/56/44/344125644.db2.gz OGNYOTOPDDVSMC-NWDGAFQWSA-N 1 2 249.314 1.239 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000625853960 344125645 /nfs/dbraw/zinc/12/56/45/344125645.db2.gz OGNYOTOPDDVSMC-NWDGAFQWSA-N 1 2 249.314 1.239 20 0 BDADLO CC[C@@H](O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631308751 344161782 /nfs/dbraw/zinc/16/17/82/344161782.db2.gz GSBWFMLLDBBERH-SECBINFHSA-N 1 2 246.314 1.440 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000145405834 344186119 /nfs/dbraw/zinc/18/61/19/344186119.db2.gz PWUSWBGDLKZWES-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000145405834 344186122 /nfs/dbraw/zinc/18/61/22/344186122.db2.gz PWUSWBGDLKZWES-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn[nH]n2)cc1 ZINC000145405834 344186126 /nfs/dbraw/zinc/18/61/26/344186126.db2.gz PWUSWBGDLKZWES-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO OCC[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641345392 362372407 /nfs/dbraw/zinc/37/24/07/362372407.db2.gz CNOLOERISDZRGD-JTQLQIEISA-N 1 2 224.279 1.820 20 0 BDADLO CC(C)(C(=O)N[C@@H]1C[C@H]1C1CC1)c1c[nH]c[nH+]1 ZINC000621988608 370646536 /nfs/dbraw/zinc/64/65/36/370646536.db2.gz HKYIKESBSCFENC-VHSXEESVSA-N 1 2 233.315 1.602 20 0 BDADLO CC(C)C[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641363443 362377204 /nfs/dbraw/zinc/37/72/04/362377204.db2.gz MRZIPZGQGHJWEJ-VIFPVBQESA-N 1 2 212.268 1.462 20 0 BDADLO CCOC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC000672536620 488258424 /nfs/dbraw/zinc/25/84/24/488258424.db2.gz POJSBNHNODYFME-SNVBAGLBSA-N 1 2 238.335 1.377 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@H](CC)OC)C(=O)OC ZINC000309389565 347046126 /nfs/dbraw/zinc/04/61/26/347046126.db2.gz SSASHZDKJMYDMK-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1cnc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cn1 ZINC000620592785 344326185 /nfs/dbraw/zinc/32/61/85/344326185.db2.gz XXFIIOINWLBLCH-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO Cc1cccc(CCSCCC(N)=O)[nH+]1 ZINC000600606729 344339812 /nfs/dbraw/zinc/33/98/12/344339812.db2.gz QLFSQQNDLFSCOU-UHFFFAOYSA-N 1 2 224.329 1.541 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cc[nH+]cc1F ZINC000641371177 362379748 /nfs/dbraw/zinc/37/97/48/362379748.db2.gz ARVZWHTUKORFTR-KWQFWETISA-N 1 2 212.268 1.462 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000628291647 347047786 /nfs/dbraw/zinc/04/77/86/347047786.db2.gz OFNKMDFNWMXLBT-GRYCIOLGSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCSC1)c1[nH+]ccn1C ZINC000620602894 344353186 /nfs/dbraw/zinc/35/31/86/344353186.db2.gz FPOMKJBTKPVWHM-DTWKUNHWSA-N 1 2 239.344 1.350 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000628291647 347047791 /nfs/dbraw/zinc/04/77/91/347047791.db2.gz OFNKMDFNWMXLBT-GRYCIOLGSA-N 1 2 247.342 1.895 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1occc1C ZINC000093050499 344307931 /nfs/dbraw/zinc/30/79/31/344307931.db2.gz YASLETOJDMNXLM-SNVBAGLBSA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1occc1C ZINC000093050499 344307932 /nfs/dbraw/zinc/30/79/32/344307932.db2.gz YASLETOJDMNXLM-SNVBAGLBSA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)CCO1 ZINC000251808368 344425935 /nfs/dbraw/zinc/42/59/35/344425935.db2.gz YRSCCEHSRDOGSZ-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000584301126 344437426 /nfs/dbraw/zinc/43/74/26/344437426.db2.gz KZFCBEFKQXNKAH-CHWFTXMASA-N 1 2 233.315 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000584301126 344437427 /nfs/dbraw/zinc/43/74/27/344437427.db2.gz KZFCBEFKQXNKAH-CHWFTXMASA-N 1 2 233.315 1.503 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1[nH]cc[nH+]1 ZINC000584272406 344373873 /nfs/dbraw/zinc/37/38/73/344373873.db2.gz TXXMWOLWMWWISX-LPEHRKFASA-N 1 2 219.288 1.462 20 0 BDADLO COC[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641388865 362386570 /nfs/dbraw/zinc/38/65/70/362386570.db2.gz XZFQHDCVUJVFQW-VIFPVBQESA-N 1 2 210.252 1.693 20 0 BDADLO CC(=O)NCC[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000672576501 488259965 /nfs/dbraw/zinc/25/99/65/488259965.db2.gz SFZLQUWQXYGQNU-JTQLQIEISA-N 1 2 234.290 1.490 20 0 BDADLO CC(=O)NCC[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000672576501 488259967 /nfs/dbraw/zinc/25/99/67/488259967.db2.gz SFZLQUWQXYGQNU-JTQLQIEISA-N 1 2 234.290 1.490 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCC[C@H](O)C2)c1 ZINC000641392185 362391117 /nfs/dbraw/zinc/39/11/17/362391117.db2.gz JIDXAUFSYFJMFX-JQWIXIFHSA-N 1 2 236.315 1.537 20 0 BDADLO CCc1cc(N2CCCNC(=O)[C@@H]2C)nc(C)[nH+]1 ZINC000408289236 344451572 /nfs/dbraw/zinc/45/15/72/344451572.db2.gz CHLXOPLWCNNOEP-VIFPVBQESA-N 1 2 248.330 1.062 20 0 BDADLO CCC1(O)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641402984 362396526 /nfs/dbraw/zinc/39/65/26/362396526.db2.gz VTOABAYKKSWIJI-UHFFFAOYSA-N 1 2 236.315 1.315 20 0 BDADLO CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC000042965945 344473516 /nfs/dbraw/zinc/47/35/16/344473516.db2.gz PXBJNUZTSCHEGM-UHFFFAOYSA-N 1 2 209.293 1.580 20 0 BDADLO Cc1nc(N[C@H](C)CC(C)(C)C)nc(N)[nH+]1 ZINC000395264700 362393696 /nfs/dbraw/zinc/39/36/96/362393696.db2.gz XWMJGXXEFSVQSY-SSDOTTSWSA-N 1 2 223.324 1.251 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)CC(C)(C)C)[nH+]1 ZINC000395264700 362393700 /nfs/dbraw/zinc/39/37/00/362393700.db2.gz XWMJGXXEFSVQSY-SSDOTTSWSA-N 1 2 223.324 1.251 20 0 BDADLO COC[C@H](C)[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC000381151209 344480171 /nfs/dbraw/zinc/48/01/71/344480171.db2.gz ARLLSVJGRPCWNG-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000381162047 344481248 /nfs/dbraw/zinc/48/12/48/344481248.db2.gz RPNCRCKDNLTSDP-IUCAKERBSA-N 1 2 233.258 1.715 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@]1(C)CCCC[C@H]1O ZINC000577389330 344527070 /nfs/dbraw/zinc/52/70/70/344527070.db2.gz ZGOGJEIQRORAHN-OCCSQVGLSA-N 1 2 249.358 1.868 20 0 BDADLO OCC1(CNc2cc[nH+]cc2F)CCCCC1 ZINC000641422165 362406208 /nfs/dbraw/zinc/40/62/08/362406208.db2.gz NITVDWKLCAFPDO-UHFFFAOYSA-N 1 2 238.306 1.997 20 0 BDADLO OCc1cc[nH+]c(N2CCOC3(CCCC3)C2)c1 ZINC000641443231 362421389 /nfs/dbraw/zinc/42/13/89/362421389.db2.gz HZELKPQXXYZHAV-UHFFFAOYSA-N 1 2 248.326 1.723 20 0 BDADLO CCO[C@@H](C)c1nccn1Cc1cn(C)c[nH+]1 ZINC000641472039 362445210 /nfs/dbraw/zinc/44/52/10/362445210.db2.gz IMGDTBGZFWEKKZ-JTQLQIEISA-N 1 2 234.303 1.762 20 0 BDADLO CCc1csc(NCc2c[nH+]cn2C)n1 ZINC000336774483 537849974 /nfs/dbraw/zinc/84/99/74/537849974.db2.gz ZXORLJNRKOBBOL-UHFFFAOYSA-N 1 2 222.317 1.473 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](CCO)C1CC1 ZINC000048065441 344582680 /nfs/dbraw/zinc/58/26/80/344582680.db2.gz NRIQXCMFBNWMBS-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](CCO)C1CC1 ZINC000048065441 344582682 /nfs/dbraw/zinc/58/26/82/344582682.db2.gz NRIQXCMFBNWMBS-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1nnc(C2CC2)o1 ZINC000111279661 344586384 /nfs/dbraw/zinc/58/63/84/344586384.db2.gz SGTNFSNEVCCQDD-UHFFFAOYSA-N 1 2 247.302 1.276 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1nnc(C2CC2)o1 ZINC000111279661 344586388 /nfs/dbraw/zinc/58/63/88/344586388.db2.gz SGTNFSNEVCCQDD-UHFFFAOYSA-N 1 2 247.302 1.276 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000672865674 488267481 /nfs/dbraw/zinc/26/74/81/488267481.db2.gz BBYXMENTBQHAQT-LLVKDONJSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)n1nnnc1SCc1cn(C)c[nH+]1 ZINC000641432387 362416277 /nfs/dbraw/zinc/41/62/77/362416277.db2.gz MXPPORQZJNJDQO-UHFFFAOYSA-N 1 2 238.320 1.280 20 0 BDADLO CC(C)(CCCO)CNc1cc[nH+]cc1F ZINC000641481258 362448421 /nfs/dbraw/zinc/44/84/21/362448421.db2.gz ZLXRFAQLSGRWIF-UHFFFAOYSA-N 1 2 226.295 1.853 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)[C@H]1CCCCO1 ZINC000641482461 362450136 /nfs/dbraw/zinc/45/01/36/362450136.db2.gz PMIUWZPYXHTLOY-ZYHUDNBSSA-N 1 2 236.315 1.943 20 0 BDADLO Cn1c[nH+]c(CSc2nc3c([nH]2)CCC3)c1 ZINC000641485324 362453418 /nfs/dbraw/zinc/45/34/18/362453418.db2.gz DOZNIMXJUOKPIP-UHFFFAOYSA-N 1 2 234.328 1.924 20 0 BDADLO Fc1c[nH+]ccc1N1CCOCC2(CC2)C1 ZINC000641485103 362453857 /nfs/dbraw/zinc/45/38/57/362453857.db2.gz ARBBNPLDGVVDOL-UHFFFAOYSA-N 1 2 222.263 1.838 20 0 BDADLO CO[C@@H]1CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641487720 362454926 /nfs/dbraw/zinc/45/49/26/362454926.db2.gz NKZUKFVAETXXAX-GFCCVEGCSA-N 1 2 236.315 1.579 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cc[nH+]cc2F)[C@H]1OC ZINC000641490390 362458614 /nfs/dbraw/zinc/45/86/14/362458614.db2.gz XTCLGWXAPRYRSL-QJPTWQEYSA-N 1 2 240.278 1.247 20 0 BDADLO CCn1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1 ZINC000625966676 344615208 /nfs/dbraw/zinc/61/52/08/344615208.db2.gz VPMWFIRAQKDGLS-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO Fc1c[nH+]ccc1NCc1nnc(C2CC2)o1 ZINC000641500579 362463246 /nfs/dbraw/zinc/46/32/46/362463246.db2.gz JMWBQSGEOHWUSF-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO CCO[C@H]1COCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641510591 362470111 /nfs/dbraw/zinc/47/01/11/362470111.db2.gz FBTLVXQCFAVRPU-RYUDHWBXSA-N 1 2 240.278 1.249 20 0 BDADLO Fc1c[nH+]ccc1NCCOCC(F)F ZINC000641527719 362481408 /nfs/dbraw/zinc/48/14/08/362481408.db2.gz RNMVXZRFAORDIU-UHFFFAOYSA-N 1 2 220.194 1.336 20 0 BDADLO CCc1nsc(N[C@H]2CCC[C@H]2[NH+](C)C)n1 ZINC000348190161 344649907 /nfs/dbraw/zinc/64/99/07/344649907.db2.gz YSSQTOIQHAFHBF-DTWKUNHWSA-N 1 2 240.376 1.417 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005882 344664341 /nfs/dbraw/zinc/66/43/41/344664341.db2.gz MFHDLMVECDSDDF-LLVKDONJSA-N 1 2 242.294 1.797 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005882 344664342 /nfs/dbraw/zinc/66/43/42/344664342.db2.gz MFHDLMVECDSDDF-LLVKDONJSA-N 1 2 242.294 1.797 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@H+](CC(F)F)C2 ZINC000626012853 344670827 /nfs/dbraw/zinc/67/08/27/344670827.db2.gz JXBMGHFCHZWZAY-WCBMZHEXSA-N 1 2 205.248 1.346 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@@H+](CC(F)F)C2 ZINC000626012853 344670829 /nfs/dbraw/zinc/67/08/29/344670829.db2.gz JXBMGHFCHZWZAY-WCBMZHEXSA-N 1 2 205.248 1.346 20 0 BDADLO CN(Cc1ccncc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492770879 530010169 /nfs/dbraw/zinc/01/01/69/530010169.db2.gz GWVMRJDUFHVDDQ-NSCUHMNNSA-N 1 2 242.282 1.477 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)C[C@H]1C[C@@H](O)C1 ZINC000626046965 344698661 /nfs/dbraw/zinc/69/86/61/344698661.db2.gz YYEHRVJLMIOAFJ-OCAPTIKFSA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)C[C@H]1C[C@@H](O)C1 ZINC000626046965 344698664 /nfs/dbraw/zinc/69/86/64/344698664.db2.gz YYEHRVJLMIOAFJ-OCAPTIKFSA-N 1 2 246.763 1.999 20 0 BDADLO O=C(C1CCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556035 344779122 /nfs/dbraw/zinc/77/91/22/344779122.db2.gz CHVMLDHJDBIAQR-NSHDSACASA-N 1 2 233.315 1.916 20 0 BDADLO Cc1cccc(OCC[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000075636799 344781924 /nfs/dbraw/zinc/78/19/24/344781924.db2.gz MYKRVJFWFAVRSK-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cccc(OCC[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000075636799 344781926 /nfs/dbraw/zinc/78/19/26/344781926.db2.gz MYKRVJFWFAVRSK-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO CC1=C[C@H](C)CN(c2cc(CO)cc[nH+]2)C1 ZINC000641547601 362495173 /nfs/dbraw/zinc/49/51/73/362495173.db2.gz CNXJZEXRRSPQCI-JTQLQIEISA-N 1 2 218.300 1.976 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)OC[C@H]2C)[nH+]c1C ZINC000628140528 344805563 /nfs/dbraw/zinc/80/55/63/344805563.db2.gz NYNSORDCOLDYFY-RKDXNWHRSA-N 1 2 223.320 1.636 20 0 BDADLO O[C@@H](CNc1cccc[nH+]1)C1CCOCC1 ZINC000076690581 344808204 /nfs/dbraw/zinc/80/82/04/344808204.db2.gz MFFKJDOSDAHYGZ-NSHDSACASA-N 1 2 222.288 1.281 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1CCCCC1 ZINC000078343236 344849030 /nfs/dbraw/zinc/84/90/30/344849030.db2.gz XRMRJDAVLHYZAZ-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC000153332641 344852988 /nfs/dbraw/zinc/85/29/88/344852988.db2.gz PDWSZIFYQJXXEA-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO CCOC[C@@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000068950996 133531083 /nfs/dbraw/zinc/53/10/83/133531083.db2.gz WNZIUQGJUWXLAE-NSHDSACASA-N 1 2 244.360 1.281 20 0 BDADLO CCOC[C@@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000068950996 133531084 /nfs/dbraw/zinc/53/10/84/133531084.db2.gz WNZIUQGJUWXLAE-NSHDSACASA-N 1 2 244.360 1.281 20 0 BDADLO Cc1nc(NCCC(=O)OC(C)(C)C)cc[nH+]1 ZINC000078305940 344844104 /nfs/dbraw/zinc/84/41/04/344844104.db2.gz UUDYLWHSRVLAOE-UHFFFAOYSA-N 1 2 237.303 1.929 20 0 BDADLO Cc1nc(N[C@@H]2CCc3n[nH]cc3C2)cc[nH+]1 ZINC000408240624 344865347 /nfs/dbraw/zinc/86/53/47/344865347.db2.gz OOSRDNCIGCJCGK-SNVBAGLBSA-N 1 2 229.287 1.478 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc[nH+]1 ZINC000408240529 344867174 /nfs/dbraw/zinc/86/71/74/344867174.db2.gz NRQXMSDTNLMIHD-IEBDPFPHSA-N 1 2 246.314 1.206 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C(F)(F)F ZINC000582127737 344913300 /nfs/dbraw/zinc/91/33/00/344913300.db2.gz HIERGAJQZBXSGD-LURJTMIESA-N 1 2 249.236 1.959 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336054318 534976972 /nfs/dbraw/zinc/97/69/72/534976972.db2.gz XYIKEKUXYTZXJB-SNVBAGLBSA-N 1 2 236.319 1.248 20 0 BDADLO COC(=O)[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000579207006 344943800 /nfs/dbraw/zinc/94/38/00/344943800.db2.gz ASDRMQSDFAYIJO-CYBMUJFWSA-N 1 2 249.314 1.565 20 0 BDADLO COC(=O)C[N@H+](CCOc1ccccc1)C1CC1 ZINC000079499426 344980419 /nfs/dbraw/zinc/98/04/19/344980419.db2.gz QHIZXNZUVJWQPN-UHFFFAOYSA-N 1 2 249.310 1.703 20 0 BDADLO COC(=O)C[N@@H+](CCOc1ccccc1)C1CC1 ZINC000079499426 344980422 /nfs/dbraw/zinc/98/04/22/344980422.db2.gz QHIZXNZUVJWQPN-UHFFFAOYSA-N 1 2 249.310 1.703 20 0 BDADLO Cc1cncc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000079577751 344996958 /nfs/dbraw/zinc/99/69/58/344996958.db2.gz QNMGCHNZGORDAY-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO OC[C@@]1(F)CCN(c2cc[nH+]cc2F)C1 ZINC000641559412 362504409 /nfs/dbraw/zinc/50/44/09/362504409.db2.gz JJTXNGVGYIJLEM-SNVBAGLBSA-N 1 2 214.215 1.131 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(F)(F)F ZINC000525723542 323082668 /nfs/dbraw/zinc/08/26/68/323082668.db2.gz QHTYPHLDKYQBJH-SSDOTTSWSA-N 1 2 247.220 1.465 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccnn1 ZINC000561340844 345049596 /nfs/dbraw/zinc/04/95/96/345049596.db2.gz YURIARAZIMTVOB-UHFFFAOYSA-N 1 2 243.314 1.646 20 0 BDADLO CO[C@H](CNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641614855 362550635 /nfs/dbraw/zinc/55/06/35/362550635.db2.gz BFLMKAVWTCBZLT-LLVKDONJSA-N 1 2 222.288 1.411 20 0 BDADLO CC(C)(NC(=O)NCCn1cc[nH+]c1)C(F)F ZINC000684249067 488281922 /nfs/dbraw/zinc/28/19/22/488281922.db2.gz LRTGALVCWFXALB-UHFFFAOYSA-N 1 2 246.261 1.226 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)C(F)(F)F ZINC000080006059 345078324 /nfs/dbraw/zinc/07/83/24/345078324.db2.gz UAPJFVWTDKIHAP-LURJTMIESA-N 1 2 235.209 1.235 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1CC12CCOCC2 ZINC000641622134 362553985 /nfs/dbraw/zinc/55/39/85/362553985.db2.gz WYCOKHBEOZUXST-NSHDSACASA-N 1 2 222.263 1.624 20 0 BDADLO CO[C@](C)(CNc1cc[nH+]cc1F)C1CC1 ZINC000641622029 362554289 /nfs/dbraw/zinc/55/42/89/362554289.db2.gz JVFNPJKPHVGUQP-GFCCVEGCSA-N 1 2 224.279 1.870 20 0 BDADLO COCC[C@@H](COC)Nc1cc[nH+]cc1F ZINC000641601841 362540562 /nfs/dbraw/zinc/54/05/62/362540562.db2.gz IZHPFQFTZPFDAZ-VIFPVBQESA-N 1 2 228.267 1.106 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NCC2CCC2)[C@H]1C ZINC000156045730 345121066 /nfs/dbraw/zinc/12/10/66/345121066.db2.gz KLOBUMFDRGGENX-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NCC2CCC2)[C@H]1C ZINC000156045730 345121068 /nfs/dbraw/zinc/12/10/68/345121068.db2.gz KLOBUMFDRGGENX-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H](COCC1CC1)Nc1cc(CO)cc[nH+]1 ZINC000641652409 362578554 /nfs/dbraw/zinc/57/85/54/362578554.db2.gz VNNZQLOMIIXNOB-SNVBAGLBSA-N 1 2 236.315 1.801 20 0 BDADLO Cc1cncnc1N(C)Cc1c[nH+]c[nH]1 ZINC000641656174 362580333 /nfs/dbraw/zinc/58/03/33/362580333.db2.gz CUJUPLJREMJACY-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1cncnc1N(C)Cc1c[nH]c[nH+]1 ZINC000641656174 362580337 /nfs/dbraw/zinc/58/03/37/362580337.db2.gz CUJUPLJREMJACY-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C12CCC2 ZINC000641629248 362559556 /nfs/dbraw/zinc/55/95/56/362559556.db2.gz FIRCSUMBSURXPJ-RYUDHWBXSA-N 1 2 248.326 1.943 20 0 BDADLO CCn1cc([C@@H](C)Nc2cc(CO)cc[nH+]2)cn1 ZINC000641629795 362560586 /nfs/dbraw/zinc/56/05/86/362560586.db2.gz NJAYQBFSJIGYTL-SNVBAGLBSA-N 1 2 246.314 1.963 20 0 BDADLO CCn1cc([C@H](C)Nc2cc(CO)cc[nH+]2)cn1 ZINC000641629794 362560888 /nfs/dbraw/zinc/56/08/88/362560888.db2.gz NJAYQBFSJIGYTL-JTQLQIEISA-N 1 2 246.314 1.963 20 0 BDADLO FC[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641631582 362563397 /nfs/dbraw/zinc/56/33/97/362563397.db2.gz GLVJQLPGBJBCEE-QMMMGPOBSA-N 1 2 214.215 1.395 20 0 BDADLO CCn1ccc(CNc2cc(CO)cc[nH+]2)n1 ZINC000641631525 362563482 /nfs/dbraw/zinc/56/34/82/362563482.db2.gz DVFGEQCGDXQKLQ-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000641657659 362581920 /nfs/dbraw/zinc/58/19/20/362581920.db2.gz SVUUBSVJVWMOBM-RYUDHWBXSA-N 1 2 218.300 1.953 20 0 BDADLO C[C@H]1C[C@H](CO)CN(c2cc[nH+]cc2F)C1 ZINC000641639551 362567168 /nfs/dbraw/zinc/56/71/68/362567168.db2.gz IWCAOJGUAOQEPB-UWVGGRQHSA-N 1 2 224.279 1.675 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2ccon2)c1 ZINC000634987942 345170262 /nfs/dbraw/zinc/17/02/62/345170262.db2.gz IOSOLKJVJJSDOP-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO c1[nH]nnc1C[NH2+]C1CCc2ccccc2CC1 ZINC000634986719 345172566 /nfs/dbraw/zinc/17/25/66/345172566.db2.gz BYDQBPRTRRHIFI-UHFFFAOYSA-N 1 2 242.326 1.842 20 0 BDADLO c1n[nH]nc1C[NH2+]C1CCc2ccccc2CC1 ZINC000634986719 345172568 /nfs/dbraw/zinc/17/25/68/345172568.db2.gz BYDQBPRTRRHIFI-UHFFFAOYSA-N 1 2 242.326 1.842 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2CCNC(=O)CC2)c1 ZINC000634972129 345147258 /nfs/dbraw/zinc/14/72/58/345147258.db2.gz PCHHTFOHIIIJLI-SNVBAGLBSA-N 1 2 219.288 1.471 20 0 BDADLO OC[C@H](CC(F)(F)F)[NH2+]Cc1ccon1 ZINC000634973422 345152580 /nfs/dbraw/zinc/15/25/80/345152580.db2.gz AYUXRDLYCAXWRA-ZETCQYMHSA-N 1 2 224.182 1.078 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)CC)[nH+]1 ZINC000635056487 345230352 /nfs/dbraw/zinc/23/03/52/345230352.db2.gz BUYHLZMUDPAJTJ-QMMMGPOBSA-N 1 2 209.293 1.429 20 0 BDADLO CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635064414 345234793 /nfs/dbraw/zinc/23/47/93/345234793.db2.gz CBEIQKMXPISQJG-RKDXNWHRSA-N 1 2 207.277 1.430 20 0 BDADLO CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635064414 345234794 /nfs/dbraw/zinc/23/47/94/345234794.db2.gz CBEIQKMXPISQJG-RKDXNWHRSA-N 1 2 207.277 1.430 20 0 BDADLO Cc1cc(C)c(C[N@H+](C)CC(=O)[O-])c(C)[nH+]1 ZINC000635014634 345218958 /nfs/dbraw/zinc/21/89/58/345218958.db2.gz BEIBTQUQMUXJSU-UHFFFAOYSA-N 1 2 222.288 1.523 20 0 BDADLO Cc1cc(C)c(C[N@@H+](C)CC(=O)[O-])c(C)[nH+]1 ZINC000635014634 345218960 /nfs/dbraw/zinc/21/89/60/345218960.db2.gz BEIBTQUQMUXJSU-UHFFFAOYSA-N 1 2 222.288 1.523 20 0 BDADLO Cc1cn2ccc(C(=O)NCC3CC3)cc2[nH+]1 ZINC000635193629 345269208 /nfs/dbraw/zinc/26/92/08/345269208.db2.gz DLZKXDZBWUGQCK-UHFFFAOYSA-N 1 2 229.283 1.783 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ccc(F)cn2)[nH+]1 ZINC000635360545 345323071 /nfs/dbraw/zinc/32/30/71/345323071.db2.gz PUMVDNVJVNOSHA-UHFFFAOYSA-N 1 2 248.261 1.687 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H]2C[C@@H]2C)[nH+]1 ZINC000635301285 345300087 /nfs/dbraw/zinc/30/00/87/345300087.db2.gz WXJRZNRBEYCKSZ-DTWKUNHWSA-N 1 2 221.304 1.287 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000564739505 345343784 /nfs/dbraw/zinc/34/37/84/345343784.db2.gz IBKNDXZBTCJVJP-UHFFFAOYSA-N 1 2 219.292 1.348 20 0 BDADLO Cc1n[nH]cc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000564739505 345343785 /nfs/dbraw/zinc/34/37/85/345343785.db2.gz IBKNDXZBTCJVJP-UHFFFAOYSA-N 1 2 219.292 1.348 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635405602 345347644 /nfs/dbraw/zinc/34/76/44/345347644.db2.gz DEGXPTIMBHRNAG-MRTMQBJTSA-N 1 2 219.288 1.428 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635405602 345347646 /nfs/dbraw/zinc/34/76/46/345347646.db2.gz DEGXPTIMBHRNAG-MRTMQBJTSA-N 1 2 219.288 1.428 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)CC(F)(F)F)[nH+]1 ZINC000635410625 345353301 /nfs/dbraw/zinc/35/33/01/345353301.db2.gz IJCBYZVJWWHPNE-UHFFFAOYSA-N 1 2 249.236 1.535 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635462389 345382461 /nfs/dbraw/zinc/38/24/61/345382461.db2.gz QEBKBJQRYLOTIP-IVZWLZJFSA-N 1 2 221.304 1.770 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635462389 345382462 /nfs/dbraw/zinc/38/24/62/345382462.db2.gz QEBKBJQRYLOTIP-IVZWLZJFSA-N 1 2 221.304 1.770 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC(C)C ZINC000619433704 345384269 /nfs/dbraw/zinc/38/42/69/345384269.db2.gz ODYQWLFYNLJNIL-IUCAKERBSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC(C)C ZINC000619433704 345384271 /nfs/dbraw/zinc/38/42/71/345384271.db2.gz ODYQWLFYNLJNIL-IUCAKERBSA-N 1 2 203.257 1.228 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000235541970 537897142 /nfs/dbraw/zinc/89/71/42/537897142.db2.gz KIAJBIAAXAPWEQ-WDSKDSINSA-N 1 2 230.699 1.284 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000235541970 537897149 /nfs/dbraw/zinc/89/71/49/537897149.db2.gz KIAJBIAAXAPWEQ-WDSKDSINSA-N 1 2 230.699 1.284 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC[C@H](F)C1)c1c[nH]c[nH+]1 ZINC000574893265 345431287 /nfs/dbraw/zinc/43/12/87/345431287.db2.gz RLVMWUOYUOEYRA-IUCAKERBSA-N 1 2 239.294 1.694 20 0 BDADLO CSCCNc1[nH+]cnc2c1cnn2C ZINC000070184680 345455620 /nfs/dbraw/zinc/45/56/20/345455620.db2.gz MIIFEOHPKAJDKX-UHFFFAOYSA-N 1 2 223.305 1.138 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]2C)[nH+]1 ZINC000635486115 345394166 /nfs/dbraw/zinc/39/41/66/345394166.db2.gz CASJDBGKOUVNKS-VXNVDRBHSA-N 1 2 207.277 1.039 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635494182 345397329 /nfs/dbraw/zinc/39/73/29/345397329.db2.gz HAPWAXKGHOYPJP-NXEZZACHSA-N 1 2 233.315 1.914 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635494182 345397333 /nfs/dbraw/zinc/39/73/33/345397333.db2.gz HAPWAXKGHOYPJP-NXEZZACHSA-N 1 2 233.315 1.914 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCC2(C)C)[nH+]1 ZINC000635496636 345399198 /nfs/dbraw/zinc/39/91/98/345399198.db2.gz ZEBPMVXMFGVINW-UHFFFAOYSA-N 1 2 235.331 1.916 20 0 BDADLO CCc1nc(N2Cc3cnn(C)c3C2)cc(C)[nH+]1 ZINC000641675940 362596560 /nfs/dbraw/zinc/59/65/60/362596560.db2.gz JTVZDXASRVGBLL-UHFFFAOYSA-N 1 2 243.314 1.601 20 0 BDADLO O=C1CC[C@H]2CN(c3cc[nH+]cc3F)CC[C@@H]2N1 ZINC000641660273 362586813 /nfs/dbraw/zinc/58/68/13/362586813.db2.gz ZKHWUIICUFZDPA-ONGXEEELSA-N 1 2 249.289 1.326 20 0 BDADLO O[C@@H]1C[C@H](Nc2cc[nH+]cc2F)C12CCC2 ZINC000641660869 362588190 /nfs/dbraw/zinc/58/81/90/362588190.db2.gz MPNHUFWKZBVZFN-WDEREUQCSA-N 1 2 222.263 1.358 20 0 BDADLO OC1CCC(CNc2cc[nH+]cc2F)CC1 ZINC000641665969 362588232 /nfs/dbraw/zinc/58/82/32/362588232.db2.gz RMGYGTZJHDPGGO-UHFFFAOYSA-N 1 2 224.279 1.606 20 0 BDADLO COCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135637 345511369 /nfs/dbraw/zinc/51/13/69/345511369.db2.gz QHNRHNIYZQWOKH-UHFFFAOYSA-N 1 2 227.254 1.969 20 0 BDADLO COCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135637 345511370 /nfs/dbraw/zinc/51/13/70/345511370.db2.gz QHNRHNIYZQWOKH-UHFFFAOYSA-N 1 2 227.254 1.969 20 0 BDADLO Cc1cncnc1N[C@@H](C)c1[nH+]ccn1C ZINC000641665328 362589817 /nfs/dbraw/zinc/58/98/17/362589817.db2.gz SBBFFLWTSLNIQB-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO Fc1c[nH+]ccc1N1CCc2nccnc2C1 ZINC000641669020 362590026 /nfs/dbraw/zinc/59/00/26/362590026.db2.gz JAQRYVUJVYRDPN-UHFFFAOYSA-N 1 2 230.246 1.573 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](O)C2CC2)[nH+]1 ZINC000080979933 345457460 /nfs/dbraw/zinc/45/74/60/345457460.db2.gz ORRICFUUSYLULV-SNVBAGLBSA-N 1 2 232.287 1.449 20 0 BDADLO CCC[C@@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080982686 345458170 /nfs/dbraw/zinc/45/81/70/345458170.db2.gz PYCGCIDZBGNUCA-SECBINFHSA-N 1 2 234.303 1.839 20 0 BDADLO Cc1nc(CNc2[nH+]c(C)nc3[nH]ccc32)no1 ZINC000081018939 345461686 /nfs/dbraw/zinc/46/16/86/345461686.db2.gz SXWWQLROTGQXEX-UHFFFAOYSA-N 1 2 244.258 1.570 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccsc1 ZINC000081411479 345472501 /nfs/dbraw/zinc/47/25/01/345472501.db2.gz WBJPUWXZFTVQDP-UHFFFAOYSA-N 1 2 207.258 1.583 20 0 BDADLO C[C@H]1CCC[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000081453297 345475531 /nfs/dbraw/zinc/47/55/31/345475531.db2.gz DBLPKWCIAZUXIR-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO O=S(=O)(CCCF)N1CCc2c[nH+]ccc21 ZINC000084015439 345509678 /nfs/dbraw/zinc/50/96/78/345509678.db2.gz LVRNTNIVQBPVEM-UHFFFAOYSA-N 1 2 244.291 1.134 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC12CCC2 ZINC000081515638 345482602 /nfs/dbraw/zinc/48/26/02/345482602.db2.gz AEXCSTKVTDLKAO-UHFFFAOYSA-N 1 2 248.330 1.593 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC12CCC2 ZINC000081515638 345482604 /nfs/dbraw/zinc/48/26/04/345482604.db2.gz AEXCSTKVTDLKAO-UHFFFAOYSA-N 1 2 248.330 1.593 20 0 BDADLO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)o1 ZINC000090884361 345577952 /nfs/dbraw/zinc/57/79/52/345577952.db2.gz CRDGERSXYDGTOL-JQWIXIFHSA-N 1 2 249.314 1.706 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000090451543 345568919 /nfs/dbraw/zinc/56/89/19/345568919.db2.gz ZJKWTBHCORLGRL-MWLCHTKSSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ncn(C)n1)c1cccnc1 ZINC000091410010 345592106 /nfs/dbraw/zinc/59/21/06/345592106.db2.gz ZSWFSYPROOCOAB-ZDUSSCGKSA-N 1 2 245.330 1.697 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCO[C@H]1C ZINC000092373886 345617928 /nfs/dbraw/zinc/61/79/28/345617928.db2.gz BIWKUUCNUXZKIQ-UWVGGRQHSA-N 1 2 220.272 1.754 20 0 BDADLO CCn1nccc1CNc1cc(CO)cc[nH+]1 ZINC000641673063 362597963 /nfs/dbraw/zinc/59/79/63/362597963.db2.gz KGZMQPWPQJBYGZ-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO O=C1CC[N@H+](Cc2ccc(Cl)o2)CCN1 ZINC000093101433 345657151 /nfs/dbraw/zinc/65/71/51/345657151.db2.gz ZLAJDLDGONDTQH-UHFFFAOYSA-N 1 2 228.679 1.255 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc(Cl)o2)CCN1 ZINC000093101433 345657153 /nfs/dbraw/zinc/65/71/53/345657153.db2.gz ZLAJDLDGONDTQH-UHFFFAOYSA-N 1 2 228.679 1.255 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cccn2C)C1 ZINC000093888233 345667219 /nfs/dbraw/zinc/66/72/19/345667219.db2.gz CBZNYIKOKVPJMA-GFCCVEGCSA-N 1 2 240.278 1.112 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cccn2C)C1 ZINC000093888233 345667220 /nfs/dbraw/zinc/66/72/20/345667220.db2.gz CBZNYIKOKVPJMA-GFCCVEGCSA-N 1 2 240.278 1.112 20 0 BDADLO Cc1nc(N2C[C@@H]3C[C@]3(O)C2)c2c([nH+]1)CCCC2 ZINC000641712395 362623707 /nfs/dbraw/zinc/62/37/07/362623707.db2.gz JCOKRNQUEFXVBD-HZMBPMFUSA-N 1 2 245.326 1.235 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@H](O)C2)[nH+]1 ZINC000092977527 345650498 /nfs/dbraw/zinc/65/04/98/345650498.db2.gz KCXQSHORYYNHJR-GZMMTYOYSA-N 1 2 246.314 1.473 20 0 BDADLO CCOC[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641677721 362600065 /nfs/dbraw/zinc/60/00/65/362600065.db2.gz DLGSNFLSYCSJNW-SNVBAGLBSA-N 1 2 240.278 1.462 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]cc2F)[C@@H](C)O1 ZINC000641681429 362603103 /nfs/dbraw/zinc/60/31/03/362603103.db2.gz HHYKVWROSISULR-XLDPMVHQSA-N 1 2 210.252 1.620 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635554655 345695318 /nfs/dbraw/zinc/69/53/18/345695318.db2.gz SMONWVIFVNUWEG-IVZWLZJFSA-N 1 2 233.315 1.676 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635554655 345695321 /nfs/dbraw/zinc/69/53/21/345695321.db2.gz SMONWVIFVNUWEG-IVZWLZJFSA-N 1 2 233.315 1.676 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccncc2N)cs1 ZINC000641720928 362637763 /nfs/dbraw/zinc/63/77/63/362637763.db2.gz XLUUTAKWKJQLIQ-UHFFFAOYSA-N 1 2 248.355 1.973 20 0 BDADLO CC(C)=CCn1cc[nH+]c1CN1CCOCC1 ZINC000641725654 362641233 /nfs/dbraw/zinc/64/12/33/362641233.db2.gz LQGFMVJDERMINL-UHFFFAOYSA-N 1 2 235.331 1.682 20 0 BDADLO COCC[N@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000138348480 345694504 /nfs/dbraw/zinc/69/45/04/345694504.db2.gz WWMQCAMCGWHRBW-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO COCC[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000138348480 345694505 /nfs/dbraw/zinc/69/45/05/345694505.db2.gz WWMQCAMCGWHRBW-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000139971154 345698874 /nfs/dbraw/zinc/69/88/74/345698874.db2.gz VJUGODGMYBBPDL-CQSZACIVSA-N 1 2 245.322 1.867 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000139971154 345698878 /nfs/dbraw/zinc/69/88/78/345698878.db2.gz VJUGODGMYBBPDL-CQSZACIVSA-N 1 2 245.322 1.867 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)nc1 ZINC000211860693 345738330 /nfs/dbraw/zinc/73/83/30/345738330.db2.gz GEPFDPGCPVSEKC-MRVPVSSYSA-N 1 2 241.241 1.326 20 0 BDADLO O=C(c1cc[nH]c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000600989163 345777399 /nfs/dbraw/zinc/77/73/99/345777399.db2.gz BZMWVDLARZDINO-UHFFFAOYSA-N 1 2 243.266 1.313 20 0 BDADLO Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140777359 345822725 /nfs/dbraw/zinc/82/27/25/345822725.db2.gz RSYVCWGWEQVIAW-SECBINFHSA-N 1 2 247.302 1.170 20 0 BDADLO CCN(c1cc[nH+]c(C)n1)[C@H]1CCOC1 ZINC000359967417 345842509 /nfs/dbraw/zinc/84/25/09/345842509.db2.gz HHGRFRZOAWWTDN-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccccc1Cl ZINC000015301839 347088181 /nfs/dbraw/zinc/08/81/81/347088181.db2.gz FGSZKKWFEQECKE-UHFFFAOYSA-N 1 2 212.680 1.257 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccccc1Cl ZINC000015301839 347088185 /nfs/dbraw/zinc/08/81/85/347088185.db2.gz FGSZKKWFEQECKE-UHFFFAOYSA-N 1 2 212.680 1.257 20 0 BDADLO Cc1cnc(C[NH2+]CC(=O)NC(C)(C)C)s1 ZINC000394736422 323096565 /nfs/dbraw/zinc/09/65/65/323096565.db2.gz WHGBVKVLRSCMNT-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncccn2)nc1 ZINC000400882529 345857952 /nfs/dbraw/zinc/85/79/52/345857952.db2.gz SKPIIUMPTZRWIH-UHFFFAOYSA-N 1 2 214.272 1.470 20 0 BDADLO FC(F)C(F)(F)CNCc1[nH]cc[nH+]1 ZINC000236218949 537913006 /nfs/dbraw/zinc/91/30/06/537913006.db2.gz YGQCUXUMRRAKGR-UHFFFAOYSA-N 1 2 211.162 1.400 20 0 BDADLO CNC(=O)CCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000171921343 345875415 /nfs/dbraw/zinc/87/54/15/345875415.db2.gz ZIJRSLUCGKGAQD-UHFFFAOYSA-N 1 2 236.319 1.172 20 0 BDADLO O=C(NCCn1cccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635621621 345896801 /nfs/dbraw/zinc/89/68/01/345896801.db2.gz BNQMCLFBBCQFMR-GHMZBOCLSA-N 1 2 244.298 1.131 20 0 BDADLO O=C(NCCn1cccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635621621 345896804 /nfs/dbraw/zinc/89/68/04/345896804.db2.gz BNQMCLFBBCQFMR-GHMZBOCLSA-N 1 2 244.298 1.131 20 0 BDADLO Cc1ccc(CNc2cc(C)[nH+]cn2)nc1 ZINC000400910018 345884863 /nfs/dbraw/zinc/88/48/63/345884863.db2.gz ZLJHFQKAXJLZCA-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CCc1cc(NCCc2ccccc2O)nc[nH+]1 ZINC000603383256 349940604 /nfs/dbraw/zinc/94/06/04/349940604.db2.gz BYPPILFOXMYPAU-UHFFFAOYSA-N 1 2 243.310 1.821 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@H]1C ZINC000623081791 345944279 /nfs/dbraw/zinc/94/42/79/345944279.db2.gz FOXKLOYYUOAUCN-YUMQZZPRSA-N 1 2 206.245 1.685 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635689162 345974264 /nfs/dbraw/zinc/97/42/64/345974264.db2.gz LIVDZXJPICYYOR-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635689162 345974266 /nfs/dbraw/zinc/97/42/66/345974266.db2.gz LIVDZXJPICYYOR-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO c1[nH]cc(NCc2c[nH]c3nccnc23)[nH+]1 ZINC000381467054 345981244 /nfs/dbraw/zinc/98/12/44/345981244.db2.gz LKPSAYMHWPGAFP-UHFFFAOYSA-N 1 2 214.232 1.245 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000419017272 192094301 /nfs/dbraw/zinc/09/43/01/192094301.db2.gz NTOFTTZVTGWBHH-LPEHRKFASA-N 1 2 249.362 1.727 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@H](C)[C@H]2C)[nH+]1 ZINC000419017272 192094303 /nfs/dbraw/zinc/09/43/03/192094303.db2.gz NTOFTTZVTGWBHH-LPEHRKFASA-N 1 2 249.362 1.727 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000635823802 346078454 /nfs/dbraw/zinc/07/84/54/346078454.db2.gz VOKHJDCFTMWKBS-WGBDABJCSA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000635823802 346078456 /nfs/dbraw/zinc/07/84/56/346078456.db2.gz VOKHJDCFTMWKBS-WGBDABJCSA-N 1 2 245.326 1.914 20 0 BDADLO CO[C@@H](C)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635849512 346090227 /nfs/dbraw/zinc/09/02/27/346090227.db2.gz GMIQFZMNBNYUGQ-JTQLQIEISA-N 1 2 247.298 1.407 20 0 BDADLO O=C(C[NH+]1C2CCC1CC2)NCC(F)(F)F ZINC000635900872 346106652 /nfs/dbraw/zinc/10/66/52/346106652.db2.gz YASDKOQOWFQCGL-UHFFFAOYSA-N 1 2 236.237 1.292 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]2CC)[nH+]1 ZINC000635888225 346099217 /nfs/dbraw/zinc/09/92/17/346099217.db2.gz ATOFUKDOQIEEAJ-PSASIEDQSA-N 1 2 221.304 1.429 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)NC1CC1 ZINC000056357452 346118361 /nfs/dbraw/zinc/11/83/61/346118361.db2.gz JAFJBHPQVNWKMG-UHFFFAOYSA-N 1 2 222.292 1.125 20 0 BDADLO COc1cc[nH+]cc1NCc1cnc(C)o1 ZINC000628229829 346178843 /nfs/dbraw/zinc/17/88/43/346178843.db2.gz JTCCLVFYUQKCTD-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587044895 346177133 /nfs/dbraw/zinc/17/71/33/346177133.db2.gz BILCHQLDRVVNHI-IUCAKERBSA-N 1 2 239.344 1.066 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C3(C)CC3)CC2)[nH+]1 ZINC000635998561 346149987 /nfs/dbraw/zinc/14/99/87/346149987.db2.gz FSXKSEUNCDZVPO-UHFFFAOYSA-N 1 2 247.342 1.964 20 0 BDADLO COCCn1cc(C[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000449416692 201911603 /nfs/dbraw/zinc/91/16/03/201911603.db2.gz VCRSYJFPGBOYMQ-VIFPVBQESA-N 1 2 247.289 1.663 20 0 BDADLO Cc1[nH]c(CN(C)CCCCO)[nH+]c1C ZINC000628249284 346214648 /nfs/dbraw/zinc/21/46/48/346214648.db2.gz WUFOZIVTLMEACX-UHFFFAOYSA-N 1 2 211.309 1.231 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnc(C)o1 ZINC000628240881 346203437 /nfs/dbraw/zinc/20/34/37/346203437.db2.gz YTJZMIHNXAFNTN-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cnc(C)o1 ZINC000628240881 346203439 /nfs/dbraw/zinc/20/34/39/346203439.db2.gz YTJZMIHNXAFNTN-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628240728 346203477 /nfs/dbraw/zinc/20/34/77/346203477.db2.gz QJDGSRQKIBBTDJ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000628244886 346209477 /nfs/dbraw/zinc/20/94/77/346209477.db2.gz YUOUJJURPOZSGH-SNVBAGLBSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000628244886 346209479 /nfs/dbraw/zinc/20/94/79/346209479.db2.gz YUOUJJURPOZSGH-SNVBAGLBSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]c(CN2C[C@H](O)CC(F)(F)C2)[nH+]c1C ZINC000628248134 346215470 /nfs/dbraw/zinc/21/54/70/346215470.db2.gz CKSUJICXHMEINR-SECBINFHSA-N 1 2 245.273 1.228 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@H]2C)[nH+]c1C ZINC000628252779 346228960 /nfs/dbraw/zinc/22/89/60/346228960.db2.gz GTYHKWQKKDYQEQ-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO Clc1ccc(C[NH+]2CCSCC2)nn1 ZINC000167390566 346244057 /nfs/dbraw/zinc/24/40/57/346244057.db2.gz KEMQZVWPIYCYQJ-UHFFFAOYSA-N 1 2 229.736 1.679 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)o1 ZINC000628255249 346248709 /nfs/dbraw/zinc/24/87/09/346248709.db2.gz HHZKBXADRGFHCR-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)o1 ZINC000628255249 346248710 /nfs/dbraw/zinc/24/87/10/346248710.db2.gz HHZKBXADRGFHCR-ZANVPECISA-N 1 2 236.315 1.982 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccncc2N)[nH]1 ZINC000641743299 362669839 /nfs/dbraw/zinc/66/98/39/362669839.db2.gz MGGVHWAIDPAKMZ-QMMMGPOBSA-N 1 2 246.318 1.195 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000631156333 346279021 /nfs/dbraw/zinc/27/90/21/346279021.db2.gz LPSKFGGCSMNALD-KXUCPTDWSA-N 1 2 237.303 1.182 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](c2nccn2C)C2CC2)o1 ZINC000628272000 346282397 /nfs/dbraw/zinc/28/23/97/346282397.db2.gz ZWMGGIGMTGSRTE-GFCCVEGCSA-N 1 2 246.314 1.957 20 0 BDADLO COCC1CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000631333754 346289438 /nfs/dbraw/zinc/28/94/38/346289438.db2.gz PKYUEFFAAMLEIZ-UHFFFAOYSA-N 1 2 221.304 1.484 20 0 BDADLO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000355045804 179049689 /nfs/dbraw/zinc/04/96/89/179049689.db2.gz YRIBUTDANKDAFE-JTQLQIEISA-N 1 2 246.314 1.978 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](CC)C2CC2)[nH+]1 ZINC000636201328 346351217 /nfs/dbraw/zinc/35/12/17/346351217.db2.gz JPPXAIBQPPSBEB-LLVKDONJSA-N 1 2 235.331 1.819 20 0 BDADLO CCC(F)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636260976 346371576 /nfs/dbraw/zinc/37/15/76/346371576.db2.gz ZPJUHSGGOCMDNG-HTQZYQBOSA-N 1 2 243.257 1.675 20 0 BDADLO CCC(F)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636260976 346371578 /nfs/dbraw/zinc/37/15/78/346371578.db2.gz ZPJUHSGGOCMDNG-HTQZYQBOSA-N 1 2 243.257 1.675 20 0 BDADLO CSc1ccc(C[NH2+]Cc2cnn[nH]2)o1 ZINC000641775080 362714805 /nfs/dbraw/zinc/71/48/05/362714805.db2.gz KEWADSHQTDAWFF-UHFFFAOYSA-N 1 2 224.289 1.409 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+][C@H](C)C(=O)OC)OC ZINC000381795728 346404810 /nfs/dbraw/zinc/40/48/10/346404810.db2.gz OLORGBGFKXLMAO-IVZWLZJFSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cc[nH]n2)n1 ZINC000353749626 179067141 /nfs/dbraw/zinc/06/71/41/179067141.db2.gz WFAMFQZVSQFDRP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cc[nH]n2)n1 ZINC000353749626 179067145 /nfs/dbraw/zinc/06/71/45/179067145.db2.gz WFAMFQZVSQFDRP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000072097759 179076973 /nfs/dbraw/zinc/07/69/73/179076973.db2.gz ZCOIBNVKMUXMBA-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000072097759 179076975 /nfs/dbraw/zinc/07/69/75/179076975.db2.gz ZCOIBNVKMUXMBA-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000574925222 346414974 /nfs/dbraw/zinc/41/49/74/346414974.db2.gz UMVIAALWFGFRSL-JTQLQIEISA-N 1 2 223.320 1.751 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000574925222 346414975 /nfs/dbraw/zinc/41/49/75/346414975.db2.gz UMVIAALWFGFRSL-JTQLQIEISA-N 1 2 223.320 1.751 20 0 BDADLO CO[C@@H]1CN(c2nc(C)[nH+]cc2C)CC[C@H]1C ZINC000574927821 346416892 /nfs/dbraw/zinc/41/68/92/346416892.db2.gz YFIGYGBBMVLYFF-BXKDBHETSA-N 1 2 235.331 1.955 20 0 BDADLO FC(F)CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603411174 349959618 /nfs/dbraw/zinc/95/96/18/349959618.db2.gz NEFWFEHJSORNIS-VIFPVBQESA-N 1 2 215.247 1.785 20 0 BDADLO COCCn1cc(C[NH2+][C@@H](C)C(F)F)cn1 ZINC000641794228 362734349 /nfs/dbraw/zinc/73/43/49/362734349.db2.gz SSNQCBFVBJSLGL-QMMMGPOBSA-N 1 2 233.262 1.273 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C1CC1 ZINC000333170619 537981217 /nfs/dbraw/zinc/98/12/17/537981217.db2.gz JJCAEWZMGZUIEI-KKZNHRDASA-N 1 2 248.330 1.987 20 0 BDADLO CC(C)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866457 346466840 /nfs/dbraw/zinc/46/68/40/346466840.db2.gz RQAKCFQNDBHCQE-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866457 346466841 /nfs/dbraw/zinc/46/68/41/346466841.db2.gz RQAKCFQNDBHCQE-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC[C@@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000161044658 346473472 /nfs/dbraw/zinc/47/34/72/346473472.db2.gz MCMQJDDDZSVBCH-SNVBAGLBSA-N 1 2 239.319 1.242 20 0 BDADLO CC(C)(C(=O)N1OC2CCC1CC2)c1c[nH+]c[nH]1 ZINC000636405342 346478744 /nfs/dbraw/zinc/47/87/44/346478744.db2.gz XKNRMULYPFISGZ-UHFFFAOYSA-N 1 2 249.314 1.772 20 0 BDADLO O=C(NC1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636444159 346562681 /nfs/dbraw/zinc/56/26/81/346562681.db2.gz REGISSYNLIPJCU-SNVBAGLBSA-N 1 2 234.303 1.050 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCc1ccccc1 ZINC000186740963 346532813 /nfs/dbraw/zinc/53/28/13/346532813.db2.gz MHKSHDHYJOMXCJ-UHFFFAOYSA-N 1 2 229.283 1.279 20 0 BDADLO CC1(C)COC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000580167783 346591165 /nfs/dbraw/zinc/59/11/65/346591165.db2.gz VELJEVIYLAANKD-JTQLQIEISA-N 1 2 248.330 1.888 20 0 BDADLO CC1(C)COC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000580167783 346591170 /nfs/dbraw/zinc/59/11/70/346591170.db2.gz VELJEVIYLAANKD-JTQLQIEISA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H](NC(=O)CC[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000401350258 346635622 /nfs/dbraw/zinc/63/56/22/346635622.db2.gz WYGLEEIENZDOSV-ZJUUUORDSA-N 1 2 237.303 1.404 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987929 346761110 /nfs/dbraw/zinc/76/11/10/346761110.db2.gz LYTOARPLICAOER-SKDRFNHKSA-N 1 2 232.283 1.327 20 0 BDADLO Cc1cccc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000049509292 179156497 /nfs/dbraw/zinc/15/64/97/179156497.db2.gz CLZPIZZETWEEHM-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO CC(C)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590006230 346763159 /nfs/dbraw/zinc/76/31/59/346763159.db2.gz XCIDDIKHHGYFRL-UHFFFAOYSA-N 1 2 234.299 1.717 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCC(C)(C)O1)c1[nH]cc[nH+]1 ZINC000580658195 365853705 /nfs/dbraw/zinc/85/37/05/365853705.db2.gz JMSXAQBKPHJKLX-RKDXNWHRSA-N 1 2 237.303 1.545 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000378678416 346804441 /nfs/dbraw/zinc/80/44/41/346804441.db2.gz SBZBMDPAWDULGS-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1cccc(OCC[NH2+][C@@]2(C)CCOC2=O)c1 ZINC000289521821 179168414 /nfs/dbraw/zinc/16/84/14/179168414.db2.gz LJKZUBAOXXANKV-AWEZNQCLSA-N 1 2 249.310 1.669 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)no1 ZINC000309724765 347149454 /nfs/dbraw/zinc/14/94/54/347149454.db2.gz CTXUDAWGVVADAN-DTWKUNHWSA-N 1 2 246.332 1.067 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCc1cccc(F)c1 ZINC000580673716 365871874 /nfs/dbraw/zinc/87/18/74/365871874.db2.gz WAQSCUQZFKOKJU-UHFFFAOYSA-N 1 2 247.273 1.381 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1cnccn1 ZINC000184498886 347164485 /nfs/dbraw/zinc/16/44/85/347164485.db2.gz SCUSEUOJUOSRFU-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1cnccn1 ZINC000184498886 347164488 /nfs/dbraw/zinc/16/44/88/347164488.db2.gz SCUSEUOJUOSRFU-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353907481 187372661 /nfs/dbraw/zinc/37/26/61/187372661.db2.gz YCZVLKLPSGJIAB-NEPJUHHUSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353907481 187372663 /nfs/dbraw/zinc/37/26/63/187372663.db2.gz YCZVLKLPSGJIAB-NEPJUHHUSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000353901980 187373013 /nfs/dbraw/zinc/37/30/13/187373013.db2.gz MXYHUTZKCMCDTR-SNVBAGLBSA-N 1 2 223.320 1.751 20 0 BDADLO CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)C(=O)OC ZINC000388211710 347238380 /nfs/dbraw/zinc/23/83/80/347238380.db2.gz GJLZXOCTKPJQPR-DVVUODLYSA-N 1 2 229.320 1.341 20 0 BDADLO CCc1nocc1CN(C)Cc1[nH]cc(C)[nH+]1 ZINC000628296341 347244585 /nfs/dbraw/zinc/24/45/85/347244585.db2.gz HFWDFTAIZDJWOJ-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CC)[C@H](C)CC ZINC000390594706 259394786 /nfs/dbraw/zinc/39/47/86/259394786.db2.gz ADZXQAJDFJXGOW-VWYCJHECSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1cnn(C)n1)CC2 ZINC000289567794 179216591 /nfs/dbraw/zinc/21/65/91/179216591.db2.gz QCZISZVBMCNPQK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1cnn(C)n1)CC2 ZINC000289567794 179216596 /nfs/dbraw/zinc/21/65/96/179216596.db2.gz QCZISZVBMCNPQK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cncc(C)c1 ZINC000189895614 347314060 /nfs/dbraw/zinc/31/40/60/347314060.db2.gz YATUPAWBUVRUGA-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cncc(C)c1 ZINC000189895614 347314063 /nfs/dbraw/zinc/31/40/63/347314063.db2.gz YATUPAWBUVRUGA-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO C[C@H]1CCSCC[N@@H+]1Cc1csnn1 ZINC000191817283 347361319 /nfs/dbraw/zinc/36/13/19/347361319.db2.gz YHTXFPALZXTENJ-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CCSCC[N@H+]1Cc1csnn1 ZINC000191817283 347361323 /nfs/dbraw/zinc/36/13/23/347361323.db2.gz YHTXFPALZXTENJ-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000252761775 347415137 /nfs/dbraw/zinc/41/51/37/347415137.db2.gz GTYGAMNYFBDWSL-BEPCFFQHSA-N 1 2 243.376 1.526 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccco1 ZINC000616925722 347457541 /nfs/dbraw/zinc/45/75/41/347457541.db2.gz OFUUXYVJWWWZFF-VIFPVBQESA-N 1 2 233.271 1.765 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccco1 ZINC000616925722 347457545 /nfs/dbraw/zinc/45/75/45/347457545.db2.gz OFUUXYVJWWWZFF-VIFPVBQESA-N 1 2 233.271 1.765 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921355 347451601 /nfs/dbraw/zinc/45/16/01/347451601.db2.gz NYJOTSFYQASMQK-SNVBAGLBSA-N 1 2 247.298 1.840 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921355 347451605 /nfs/dbraw/zinc/45/16/05/347451605.db2.gz NYJOTSFYQASMQK-SNVBAGLBSA-N 1 2 247.298 1.840 20 0 BDADLO CCC(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923446 347453324 /nfs/dbraw/zinc/45/33/24/347453324.db2.gz HUKMRPFISQPQPQ-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO CCC(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923446 347453325 /nfs/dbraw/zinc/45/33/25/347453325.db2.gz HUKMRPFISQPQPQ-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO CC(C)(C)OCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000396849461 362836922 /nfs/dbraw/zinc/83/69/22/362836922.db2.gz JPLHHGCWFRTCAO-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CC(C)(C)OCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000396849461 362836925 /nfs/dbraw/zinc/83/69/25/362836925.db2.gz JPLHHGCWFRTCAO-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CCO[C@H]4C[C@H]43)n21 ZINC000366560070 179231445 /nfs/dbraw/zinc/23/14/45/179231445.db2.gz OKDFYVMCZLUWIN-OLZOCXBDSA-N 1 2 243.310 1.616 20 0 BDADLO CCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616873443 347435465 /nfs/dbraw/zinc/43/54/65/347435465.db2.gz PRCANXBWJVBUKN-JTQLQIEISA-N 1 2 239.319 1.006 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928592 347495139 /nfs/dbraw/zinc/49/51/39/347495139.db2.gz FZNPKKRJENSSSL-ZJUUUORDSA-N 1 2 239.319 1.287 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928592 347495143 /nfs/dbraw/zinc/49/51/43/347495143.db2.gz FZNPKKRJENSSSL-ZJUUUORDSA-N 1 2 239.319 1.287 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725813 347495621 /nfs/dbraw/zinc/49/56/21/347495621.db2.gz WWZFTLWRSMVCBY-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO COCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000616928939 347496066 /nfs/dbraw/zinc/49/60/66/347496066.db2.gz PVKCFRPVQHJLER-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000616928939 347496068 /nfs/dbraw/zinc/49/60/68/347496068.db2.gz PVKCFRPVQHJLER-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCSC1 ZINC000616926638 347458804 /nfs/dbraw/zinc/45/88/04/347458804.db2.gz JYWLGWJNKNRVBB-QMMMGPOBSA-N 1 2 225.317 1.121 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCSC1 ZINC000616926638 347458806 /nfs/dbraw/zinc/45/88/06/347458806.db2.gz JYWLGWJNKNRVBB-QMMMGPOBSA-N 1 2 225.317 1.121 20 0 BDADLO Cc1[nH]ccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925853 347458899 /nfs/dbraw/zinc/45/88/99/347458899.db2.gz SJMJRDZJACWTON-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO Cc1[nH]ccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925853 347458900 /nfs/dbraw/zinc/45/89/00/347458900.db2.gz SJMJRDZJACWTON-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO CN(Cc1cccc(F)c1)C(=O)Cn1cc[nH+]c1 ZINC000577212640 365881905 /nfs/dbraw/zinc/88/19/05/365881905.db2.gz KSCKXHMWYIYNFT-UHFFFAOYSA-N 1 2 247.273 1.681 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC000590755575 347505339 /nfs/dbraw/zinc/50/53/39/347505339.db2.gz MJGXPFNGXDJLHS-VIFPVBQESA-N 1 2 238.262 1.412 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CC[C@H](F)C2)n1 ZINC000590755575 347505342 /nfs/dbraw/zinc/50/53/42/347505342.db2.gz MJGXPFNGXDJLHS-VIFPVBQESA-N 1 2 238.262 1.412 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCCOC1)n1cc[nH+]c1 ZINC000577223448 365889676 /nfs/dbraw/zinc/88/96/76/365889676.db2.gz DAOBWCKBDZLPAI-QWRGUYRKSA-N 1 2 237.303 1.129 20 0 BDADLO Cc1cc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)n[nH]1 ZINC000577226948 365890505 /nfs/dbraw/zinc/89/05/05/365890505.db2.gz YKDYIAZWSHZTOA-UHFFFAOYSA-N 1 2 247.302 1.035 20 0 BDADLO Cc1cc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)[nH]n1 ZINC000577226948 365890511 /nfs/dbraw/zinc/89/05/11/365890511.db2.gz YKDYIAZWSHZTOA-UHFFFAOYSA-N 1 2 247.302 1.035 20 0 BDADLO CCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590732725 347500934 /nfs/dbraw/zinc/50/09/34/347500934.db2.gz OTNRLMZIWJLXBD-NSHDSACASA-N 1 2 221.304 1.847 20 0 BDADLO Cc1ccc(CCC(=O)NCc2c[nH+]c[nH]2)o1 ZINC000359122780 187379448 /nfs/dbraw/zinc/37/94/48/187379448.db2.gz HNZVBPRFFJEAPS-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1ccc(CCC(=O)NCc2c[nH]c[nH+]2)o1 ZINC000359122780 187379449 /nfs/dbraw/zinc/37/94/49/187379449.db2.gz HNZVBPRFFJEAPS-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C(C)C ZINC000636602417 347548165 /nfs/dbraw/zinc/54/81/65/347548165.db2.gz NRHPTIDMXZUMNO-VXGBXAGGSA-N 1 2 242.363 1.210 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C(C)C ZINC000636602417 347548167 /nfs/dbraw/zinc/54/81/67/347548167.db2.gz NRHPTIDMXZUMNO-VXGBXAGGSA-N 1 2 242.363 1.210 20 0 BDADLO CC1(C)C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CO1 ZINC000617050501 347640461 /nfs/dbraw/zinc/64/04/61/347640461.db2.gz UWSDXFKRNSQYJE-JTQLQIEISA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CO1 ZINC000617050501 347640465 /nfs/dbraw/zinc/64/04/65/347640465.db2.gz UWSDXFKRNSQYJE-JTQLQIEISA-N 1 2 237.303 1.026 20 0 BDADLO CC(=O)CSCCC[NH+]1CCOCC1 ZINC000176765513 365902174 /nfs/dbraw/zinc/90/21/74/365902174.db2.gz PZDHRWHECMCSMV-UHFFFAOYSA-N 1 2 217.334 1.031 20 0 BDADLO Cc1ccccc1C[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000335945323 179277285 /nfs/dbraw/zinc/27/72/85/179277285.db2.gz XBNRQWYGBGCINX-MLGOLLRUSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccccc1C[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000335945323 179277288 /nfs/dbraw/zinc/27/72/88/179277288.db2.gz XBNRQWYGBGCINX-MLGOLLRUSA-N 1 2 237.368 1.948 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](CC(C)C)OC ZINC000419187801 192108474 /nfs/dbraw/zinc/10/84/74/192108474.db2.gz GLRUNKFBJKZLIB-JTQLQIEISA-N 1 2 217.309 1.152 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](CC(C)C)OC ZINC000419187801 192108476 /nfs/dbraw/zinc/10/84/76/192108476.db2.gz GLRUNKFBJKZLIB-JTQLQIEISA-N 1 2 217.309 1.152 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592186631 347760575 /nfs/dbraw/zinc/76/05/75/347760575.db2.gz DZFPWJHRVOIWCF-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592186631 347760577 /nfs/dbraw/zinc/76/05/77/347760577.db2.gz DZFPWJHRVOIWCF-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@H](COC)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC000592527901 347795690 /nfs/dbraw/zinc/79/56/90/347795690.db2.gz XEALIUXIHQSURD-MNOVXSKESA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593097571 347855062 /nfs/dbraw/zinc/85/50/62/347855062.db2.gz NNXYSJGZCINXOJ-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593097571 347855064 /nfs/dbraw/zinc/85/50/64/347855064.db2.gz NNXYSJGZCINXOJ-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO COc1c(N)[nH+]cnc1NCCOC(C)(C)C ZINC000308547785 347832216 /nfs/dbraw/zinc/83/22/16/347832216.db2.gz YEOAXFATELHMQG-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BDADLO COc1c(N)nc[nH+]c1NCCOC(C)(C)C ZINC000308547785 347832217 /nfs/dbraw/zinc/83/22/17/347832217.db2.gz YEOAXFATELHMQG-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BDADLO Cc1ncc(CN2CCc3c([nH+]cn3C)C2)cn1 ZINC000593293384 347878924 /nfs/dbraw/zinc/87/89/24/347878924.db2.gz SNXRNCDZFDZVFP-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(F)F ZINC000308585173 347883084 /nfs/dbraw/zinc/88/30/84/347883084.db2.gz IAPAAWAGPLUFBE-NKWVEPMBSA-N 1 2 209.236 1.429 20 0 BDADLO FC(F)O[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000679741710 488365549 /nfs/dbraw/zinc/36/55/49/488365549.db2.gz ZKCWOGRXJUVJSC-SECBINFHSA-N 1 2 231.246 1.613 20 0 BDADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000679741710 488365551 /nfs/dbraw/zinc/36/55/51/488365551.db2.gz ZKCWOGRXJUVJSC-SECBINFHSA-N 1 2 231.246 1.613 20 0 BDADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)o1 ZINC000593685887 347927040 /nfs/dbraw/zinc/92/70/40/347927040.db2.gz BOVULGJEKCFKOS-RWNMLDIDSA-N 1 2 245.731 1.638 20 0 BDADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)o1 ZINC000593685887 347927043 /nfs/dbraw/zinc/92/70/43/347927043.db2.gz BOVULGJEKCFKOS-RWNMLDIDSA-N 1 2 245.731 1.638 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc2cnccc2o1 ZINC000593622737 347917358 /nfs/dbraw/zinc/91/73/58/347917358.db2.gz UNUWYYUPLFTLTE-SECBINFHSA-N 1 2 248.282 1.821 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc2cnccc2o1 ZINC000593622737 347917361 /nfs/dbraw/zinc/91/73/61/347917361.db2.gz UNUWYYUPLFTLTE-SECBINFHSA-N 1 2 248.282 1.821 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043628832 347970626 /nfs/dbraw/zinc/97/06/26/347970626.db2.gz HWFJSSWIBAAOTA-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043628832 347970629 /nfs/dbraw/zinc/97/06/29/347970629.db2.gz HWFJSSWIBAAOTA-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO O=C(NC(C1CC1)C1CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368138678 187384208 /nfs/dbraw/zinc/38/42/08/187384208.db2.gz KCRVBDMRIDXVLZ-SECBINFHSA-N 1 2 244.285 1.288 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccn(C)n2)on1 ZINC000112837983 323172774 /nfs/dbraw/zinc/17/27/74/323172774.db2.gz SRLBFQCYFRWFCY-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO CC(C)=CC[NH+]1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000369006510 187385044 /nfs/dbraw/zinc/38/50/44/187385044.db2.gz AVMORFUSDNDJEE-SNVBAGLBSA-N 1 2 236.319 1.154 20 0 BDADLO CC(C)[C@H](O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000368185973 187383904 /nfs/dbraw/zinc/38/39/04/187383904.db2.gz YAIPWNAJNHRTCL-LLVKDONJSA-N 1 2 246.314 1.118 20 0 BDADLO CC[C@H](C[N@@H+]1CCN(CC(C)C)C(=O)C1)OC ZINC000419275533 192111693 /nfs/dbraw/zinc/11/16/93/192111693.db2.gz SEPCFICSHSARST-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@H](C[N@H+]1CCN(CC(C)C)C(=O)C1)OC ZINC000419275533 192111694 /nfs/dbraw/zinc/11/16/94/192111694.db2.gz SEPCFICSHSARST-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)c1ccccn1)C1CC1 ZINC000594712970 348104965 /nfs/dbraw/zinc/10/49/65/348104965.db2.gz XLGNLHSAWGYOLB-MFKMUULPSA-N 1 2 248.326 1.726 20 0 BDADLO Cc1cccn2cc(CC(=O)NC3CC3)[nH+]c12 ZINC000041287709 179356489 /nfs/dbraw/zinc/35/64/89/179356489.db2.gz LUSUFMFSGUCSCA-UHFFFAOYSA-N 1 2 229.283 1.464 20 0 BDADLO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000594961447 348151640 /nfs/dbraw/zinc/15/16/40/348151640.db2.gz NMUCWMQYEZGLTK-RBIVETJNSA-N 1 2 241.360 1.189 20 0 BDADLO Cc1cccnc1C(=O)NCCn1cc[nH+]c1 ZINC000267334559 179362717 /nfs/dbraw/zinc/36/27/17/179362717.db2.gz IHRSCQNZOOFOFW-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO CC(=O)CC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374500411 187388039 /nfs/dbraw/zinc/38/80/39/187388039.db2.gz AQVMERBGMUZXPI-UHFFFAOYSA-N 1 2 237.274 1.999 20 0 BDADLO CC(=O)CC[N@H+]1CCOc2cccc(F)c2C1 ZINC000374500411 187388041 /nfs/dbraw/zinc/38/80/41/187388041.db2.gz AQVMERBGMUZXPI-UHFFFAOYSA-N 1 2 237.274 1.999 20 0 BDADLO Cc1nc(N2CCCC[C@H](CO)C2)cc[nH+]1 ZINC000374109262 187388211 /nfs/dbraw/zinc/38/82/11/187388211.db2.gz UPGCECADGSINLG-NSHDSACASA-N 1 2 221.304 1.384 20 0 BDADLO Cc1cccnc1C(=O)NCc1[nH+]ccn1C ZINC000267397273 179364642 /nfs/dbraw/zinc/36/46/42/179364642.db2.gz NSKMBTBHBOZTCM-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cc1cccnc1CC[NH2+]Cc1ccn[nH]1 ZINC000294919345 179370398 /nfs/dbraw/zinc/37/03/98/179370398.db2.gz FNLLGHVSUORGML-UHFFFAOYSA-N 1 2 216.288 1.445 20 0 BDADLO COC[C@](C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)OC ZINC000595406032 348240069 /nfs/dbraw/zinc/24/00/69/348240069.db2.gz GOGNTBZCFJHFTC-NOHGZBONSA-N 1 2 241.331 1.200 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCC=C(C)C)CCOC1 ZINC000595408128 348241039 /nfs/dbraw/zinc/24/10/39/348241039.db2.gz NCDNUWRPEKKKIH-GFCCVEGCSA-N 1 2 227.304 1.264 20 0 BDADLO CSCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595433621 348249861 /nfs/dbraw/zinc/24/98/61/348249861.db2.gz NMNKJWFHHVWFAY-QMMMGPOBSA-N 1 2 242.348 1.143 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](CC(C)C)OC)C1CC1 ZINC000419245702 192114443 /nfs/dbraw/zinc/11/44/43/192114443.db2.gz AHJJUMNOXMJDLD-VXGBXAGGSA-N 1 2 243.347 1.589 20 0 BDADLO CC[C@@H](C[NH2+]C(CC)(CC)C(=O)OC)OC ZINC000419253354 192115416 /nfs/dbraw/zinc/11/54/16/192115416.db2.gz WRKOBYPSCIKRQD-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO CSC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000595513338 348266985 /nfs/dbraw/zinc/26/69/85/348266985.db2.gz ZZXJMPMRVJWFMC-JTQLQIEISA-N 1 2 240.376 1.422 20 0 BDADLO CSC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000595513338 348266987 /nfs/dbraw/zinc/26/69/87/348266987.db2.gz ZZXJMPMRVJWFMC-JTQLQIEISA-N 1 2 240.376 1.422 20 0 BDADLO CCC[C@H]([NH2+][C@H]1C[C@@H](OCC)C1)C(=O)OCC ZINC000419307047 192119959 /nfs/dbraw/zinc/11/99/59/192119959.db2.gz TZQWGTRSQPYEAI-TUAOUCFPSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)C1([N@H+](Cc2cn[nH]c2)C2CC2)CCC1 ZINC000595542577 348276791 /nfs/dbraw/zinc/27/67/91/348276791.db2.gz RHSQLDACWOYZTG-UHFFFAOYSA-N 1 2 249.314 1.470 20 0 BDADLO COC(=O)C1([N@@H+](Cc2cn[nH]c2)C2CC2)CCC1 ZINC000595542577 348276793 /nfs/dbraw/zinc/27/67/93/348276793.db2.gz RHSQLDACWOYZTG-UHFFFAOYSA-N 1 2 249.314 1.470 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2ncccc12 ZINC000595603639 348286167 /nfs/dbraw/zinc/28/61/67/348286167.db2.gz ITUQFCGTICIUMR-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2ncccc12 ZINC000595603639 348286169 /nfs/dbraw/zinc/28/61/69/348286169.db2.gz ITUQFCGTICIUMR-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO CC[C@H]([NH2+]CC(C)(C)OCC1CC1)C(=O)OC ZINC000419322317 192120967 /nfs/dbraw/zinc/12/09/67/192120967.db2.gz SECGVPAERPITES-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@@H](C)O)CC[C@@H](C)CC1 ZINC000595703286 348308557 /nfs/dbraw/zinc/30/85/57/348308557.db2.gz BKIMYQKVCYZFOW-CKYFFXLPSA-N 1 2 229.320 1.079 20 0 BDADLO COC(=O)[C@@H](C1CC1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595712418 348324602 /nfs/dbraw/zinc/32/46/02/348324602.db2.gz GWGVLMJCWPSBIU-FXPVBKGRSA-N 1 2 239.315 1.095 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+][C@H]1C=CCCC1 ZINC000595769507 348335591 /nfs/dbraw/zinc/33/55/91/348335591.db2.gz MXMIIGUDZAWPSV-JQWIXIFHSA-N 1 2 229.295 1.976 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCCCCO ZINC000595771609 348336468 /nfs/dbraw/zinc/33/64/68/348336468.db2.gz ZUZQSKQDTDWLDW-NSHDSACASA-N 1 2 235.299 1.030 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCOC(C)C ZINC000595774606 348338171 /nfs/dbraw/zinc/33/81/71/348338171.db2.gz PSNQOQBPSQIZHJ-NSHDSACASA-N 1 2 235.299 1.292 20 0 BDADLO CC[C@H](C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000419283440 192122922 /nfs/dbraw/zinc/12/29/22/192122922.db2.gz NCWPUTXSZBBMBX-DTWKUNHWSA-N 1 2 225.279 1.359 20 0 BDADLO CC[C@H](C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000419283440 192122923 /nfs/dbraw/zinc/12/29/23/192122923.db2.gz NCWPUTXSZBBMBX-DTWKUNHWSA-N 1 2 225.279 1.359 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](OC)C1CCCC1)C(=O)OC ZINC000596049388 348428619 /nfs/dbraw/zinc/42/86/19/348428619.db2.gz ZMXFKHILQSMJFT-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO CCCCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596050757 348432627 /nfs/dbraw/zinc/43/26/27/348432627.db2.gz OMPNGHBWTQGYHM-UHFFFAOYSA-N 1 2 236.315 1.821 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000402175432 349993595 /nfs/dbraw/zinc/99/35/95/349993595.db2.gz YCGGMFUPLJVHLL-KXUCPTDWSA-N 1 2 229.320 1.484 20 0 BDADLO CCc1ccc(C[NH+]2CCOCC2)cn1 ZINC000205176738 348462386 /nfs/dbraw/zinc/46/23/86/348462386.db2.gz NRCWYLZJKYTGSW-UHFFFAOYSA-N 1 2 206.289 1.476 20 0 BDADLO CCn1cc(NCc2[nH+]ccn2CC)cn1 ZINC000051921497 323191944 /nfs/dbraw/zinc/19/19/44/323191944.db2.gz KCQULWQVELGMOT-UHFFFAOYSA-N 1 2 219.292 1.732 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccco1)C2 ZINC000364500233 179562051 /nfs/dbraw/zinc/56/20/51/179562051.db2.gz BKNVDIFTMXKZKB-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO COC(=O)C[C@H](CNc1cc(C)[nH+]cn1)C1CC1 ZINC000596491726 348560376 /nfs/dbraw/zinc/56/03/76/348560376.db2.gz KVYVTIMCZILTCM-LLVKDONJSA-N 1 2 249.314 1.208 20 0 BDADLO CCSC1(CNc2cc(C)[nH+]cn2)CC1 ZINC000596510734 348573140 /nfs/dbraw/zinc/57/31/40/348573140.db2.gz GNAFPFOVPIRPKR-UHFFFAOYSA-N 1 2 223.345 1.905 20 0 BDADLO Cc1cnc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2=O)o1 ZINC000356278395 179655237 /nfs/dbraw/zinc/65/52/37/179655237.db2.gz WGDREHRZJPLKIS-ONGXEEELSA-N 1 2 249.314 1.397 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CSC1CC1 ZINC000597856509 348828037 /nfs/dbraw/zinc/82/80/37/348828037.db2.gz HDKAWQJTFYCNSH-UHFFFAOYSA-N 1 2 225.317 1.264 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CSC1CC1 ZINC000597856509 348828041 /nfs/dbraw/zinc/82/80/41/348828041.db2.gz HDKAWQJTFYCNSH-UHFFFAOYSA-N 1 2 225.317 1.264 20 0 BDADLO CCc1cc(NC[C@@]2(OC)CCOC2)nc[nH+]1 ZINC000123130875 490199778 /nfs/dbraw/zinc/19/97/78/490199778.db2.gz PZWRFFDDYDFBRX-LBPRGKRZSA-N 1 2 237.303 1.256 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@]12C[C@@H]1CCC2 ZINC000421737252 192377510 /nfs/dbraw/zinc/37/75/10/192377510.db2.gz JCGYKDCSGIUTMH-AAEUAGOBSA-N 1 2 233.315 1.580 20 0 BDADLO CSC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000598464113 348977940 /nfs/dbraw/zinc/97/79/40/348977940.db2.gz GEOJZOOJLNRBKZ-MRVPVSSYSA-N 1 2 239.344 1.493 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(C)c1 ZINC000598585121 348995195 /nfs/dbraw/zinc/99/51/95/348995195.db2.gz RXAIBHUEHYJFGO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(C)c1 ZINC000598585121 348995197 /nfs/dbraw/zinc/99/51/97/348995197.db2.gz RXAIBHUEHYJFGO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421753328 192380313 /nfs/dbraw/zinc/38/03/13/192380313.db2.gz ZGWVRSIMBKDEHA-MDZLAQPJSA-N 1 2 233.315 1.578 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1[nH+]cccc1OC ZINC000599062450 349086486 /nfs/dbraw/zinc/08/64/86/349086486.db2.gz QMLKJQJQMAZECK-VIFPVBQESA-N 1 2 238.287 1.701 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)c1ccncc1 ZINC000151223786 538024784 /nfs/dbraw/zinc/02/47/84/538024784.db2.gz YOXAEYGKWLYSEK-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CCCSCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944593 349062786 /nfs/dbraw/zinc/06/27/86/349062786.db2.gz QLZVFLVBTJPLIA-VIFPVBQESA-N 1 2 239.344 1.067 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944249 349062871 /nfs/dbraw/zinc/06/28/71/349062871.db2.gz LAEVZAMJEYTHAS-IUCAKERBSA-N 1 2 239.344 1.066 20 0 BDADLO O=C(CCc1ccccc1F)NCc1c[nH+]c[nH]1 ZINC000607948607 538025248 /nfs/dbraw/zinc/02/52/48/538025248.db2.gz GDPXTCXIIDVXEW-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(CCc1ccccc1F)NCc1c[nH]c[nH+]1 ZINC000607948607 538025255 /nfs/dbraw/zinc/02/52/55/538025255.db2.gz GDPXTCXIIDVXEW-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO CO[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000627375323 349118237 /nfs/dbraw/zinc/11/82/37/349118237.db2.gz RCWVVZKLKUELAH-GFCCVEGCSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000627375323 349118239 /nfs/dbraw/zinc/11/82/39/349118239.db2.gz RCWVVZKLKUELAH-GFCCVEGCSA-N 1 2 249.314 1.110 20 0 BDADLO Cc1cccn2cc(CNC(=O)[C@@H]3C[C@H]3C)[nH+]c12 ZINC000599255137 349131172 /nfs/dbraw/zinc/13/11/72/349131172.db2.gz UYHSKXLTBYOWLI-ZYHUDNBSSA-N 1 2 243.310 1.915 20 0 BDADLO COC(=O)[C@@]1([NH2+]CC2CC(C)(C)C2)CCOC1 ZINC000599342508 349153240 /nfs/dbraw/zinc/15/32/40/349153240.db2.gz PTTCWIARUCXVGY-CYBMUJFWSA-N 1 2 241.331 1.344 20 0 BDADLO CCCc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)[nH]n1 ZINC000599364084 349160686 /nfs/dbraw/zinc/16/06/86/349160686.db2.gz PLPMPYLABOZXQY-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO CCOC(=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599538476 349221152 /nfs/dbraw/zinc/22/11/52/349221152.db2.gz MORRNSSXDFRELE-UHFFFAOYSA-N 1 2 235.283 1.661 20 0 BDADLO CCOC(=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599538476 349221157 /nfs/dbraw/zinc/22/11/57/349221157.db2.gz MORRNSSXDFRELE-UHFFFAOYSA-N 1 2 235.283 1.661 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626193 349231230 /nfs/dbraw/zinc/23/12/30/349231230.db2.gz PEOKZIOFOAQUBG-QHZLYTNSSA-N 1 2 229.320 1.340 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649257 349233656 /nfs/dbraw/zinc/23/36/56/349233656.db2.gz ZEAAWGPZOPCSGP-VIFPVBQESA-N 1 2 235.283 1.312 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649257 349233660 /nfs/dbraw/zinc/23/36/60/349233660.db2.gz ZEAAWGPZOPCSGP-VIFPVBQESA-N 1 2 235.283 1.312 20 0 BDADLO CCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599652948 349234642 /nfs/dbraw/zinc/23/46/42/349234642.db2.gz ROBLHWBSQZZMSH-SNVBAGLBSA-N 1 2 245.363 1.857 20 0 BDADLO CSCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000402077597 349334728 /nfs/dbraw/zinc/33/47/28/349334728.db2.gz LADPZLSHILMKMT-MRVPVSSYSA-N 1 2 227.333 1.730 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000601940383 349392638 /nfs/dbraw/zinc/39/26/38/349392638.db2.gz MDGSHLQESZCIBZ-WDEREUQCSA-N 1 2 241.331 1.343 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000603791204 350027088 /nfs/dbraw/zinc/02/70/88/350027088.db2.gz ODWNUTUFAFSKEI-WPRPVWTQSA-N 1 2 204.273 1.660 20 0 BDADLO CCc1cc(N[C@H]2CCN(C(C)C)C2=O)nc[nH+]1 ZINC000604045154 350072941 /nfs/dbraw/zinc/07/29/41/350072941.db2.gz QEJMKDPLQBRQCP-NSHDSACASA-N 1 2 248.330 1.460 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603809151 350036614 /nfs/dbraw/zinc/03/66/14/350036614.db2.gz QFIJYIUKXFAUDS-MRVPVSSYSA-N 1 2 219.244 1.308 20 0 BDADLO O=C(CCc1ccco1)N1CC(n2cc[nH+]c2)C1 ZINC000603813494 350037582 /nfs/dbraw/zinc/03/75/82/350037582.db2.gz BXHWVNYNCFBGFN-UHFFFAOYSA-N 1 2 245.282 1.492 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881713 350047894 /nfs/dbraw/zinc/04/78/94/350047894.db2.gz GRCJUBNOTDBBRH-MNOVXSKESA-N 1 2 245.282 1.698 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881712 350048021 /nfs/dbraw/zinc/04/80/21/350048021.db2.gz GRCJUBNOTDBBRH-GHMZBOCLSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)CCC2CC2)CCO1 ZINC000604322118 350102111 /nfs/dbraw/zinc/10/21/11/350102111.db2.gz QGCKYKQJQYAKQJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)CCC2CC2)CCO1 ZINC000604322118 350102116 /nfs/dbraw/zinc/10/21/16/350102116.db2.gz QGCKYKQJQYAKQJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCOC[C@@H](C)C2)[nH+]1 ZINC000338253579 180002666 /nfs/dbraw/zinc/00/26/66/180002666.db2.gz DIUVKQDXUHSDOH-VIFPVBQESA-N 1 2 246.314 1.739 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000219212801 350117826 /nfs/dbraw/zinc/11/78/26/350117826.db2.gz IMVLWGRKHRSILC-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCCOC(C)(C)C2)no1 ZINC000368122379 180047124 /nfs/dbraw/zinc/04/71/24/180047124.db2.gz IUDFOWFSWVAJCX-VIFPVBQESA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCCOC(C)(C)C2)no1 ZINC000368122379 180047127 /nfs/dbraw/zinc/04/71/27/180047127.db2.gz IUDFOWFSWVAJCX-VIFPVBQESA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC3(CCO3)CC2)no1 ZINC000368055160 180047893 /nfs/dbraw/zinc/04/78/93/180047893.db2.gz HIKUWYXGYJSKCK-VIFPVBQESA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)no1 ZINC000308916049 180052058 /nfs/dbraw/zinc/05/20/58/180052058.db2.gz BFJJXQNZUZKMRS-FJXKBIBVSA-N 1 2 227.333 1.780 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCCS2)[nH+]1 ZINC000336364173 180059874 /nfs/dbraw/zinc/05/98/74/180059874.db2.gz WVGVORNRHRZVLZ-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO Cc1[nH+]c2cc(NC(=O)CC(N)=O)ccc2n1C ZINC000336408528 180081636 /nfs/dbraw/zinc/08/16/36/180081636.db2.gz MJNPTSZSXJYAKD-UHFFFAOYSA-N 1 2 246.270 1.746 20 0 BDADLO Cc1nc(N(CCO)C2CC2)c2c([nH+]1)CCCC2 ZINC000272826820 180068977 /nfs/dbraw/zinc/06/89/77/180068977.db2.gz GDEORQQMKYXHRE-UHFFFAOYSA-N 1 2 247.342 1.625 20 0 BDADLO c1ccc2[nH+]c(N3CCCOCC3)[nH]c2c1 ZINC000334250555 538061703 /nfs/dbraw/zinc/06/17/03/538061703.db2.gz HUXVFLLBDLQWJX-UHFFFAOYSA-N 1 2 217.272 1.790 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CCC[C@@H]21 ZINC000334243174 538062072 /nfs/dbraw/zinc/06/20/72/538062072.db2.gz YEBCEZPHHLGJIV-PWSUYJOCSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CCC[C@@H]21 ZINC000334243174 538062076 /nfs/dbraw/zinc/06/20/76/538062076.db2.gz YEBCEZPHHLGJIV-PWSUYJOCSA-N 1 2 233.315 1.743 20 0 BDADLO Cc1nc(NC[C@H](O)C(C)(C)C)cc[nH+]1 ZINC000309188567 350159365 /nfs/dbraw/zinc/15/93/65/350159365.db2.gz PGXYQTXXRXLXTK-VIFPVBQESA-N 1 2 209.293 1.604 20 0 BDADLO CCc1nc(C[NH2+][C@](C)(CC)C(N)=O)cs1 ZINC000133391961 191040610 /nfs/dbraw/zinc/04/06/10/191040610.db2.gz XURVPZRWVWXUFF-LLVKDONJSA-N 1 2 241.360 1.449 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2cccc(O)c2)c[nH+]1 ZINC000339283243 180130160 /nfs/dbraw/zinc/13/01/60/180130160.db2.gz ORHZJEKUCHUYDW-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO Cc1[nH]c(C(=O)NCCOC2CCCC2)c[nH+]1 ZINC000339230734 180130579 /nfs/dbraw/zinc/13/05/79/180130579.db2.gz QEHWSTOMEZEBJT-UHFFFAOYSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C2CC2)C(F)(F)F)c[nH+]1 ZINC000360794025 180131850 /nfs/dbraw/zinc/13/18/50/180131850.db2.gz GSSPKMXJCLZCHS-QMMMGPOBSA-N 1 2 247.220 1.789 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000333483323 180135223 /nfs/dbraw/zinc/13/52/23/180135223.db2.gz PQKBWNQBNCFMPU-AYMMMOKOSA-N 1 2 205.261 1.246 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000299151414 180142748 /nfs/dbraw/zinc/14/27/48/180142748.db2.gz ZAADUNKQPAUMDL-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C)C2)s1 ZINC000299151414 180142749 /nfs/dbraw/zinc/14/27/49/180142749.db2.gz ZAADUNKQPAUMDL-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccccc1 ZINC000359480414 180119527 /nfs/dbraw/zinc/11/95/27/180119527.db2.gz KBQWGTGGJBKJGH-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC000331029931 180120324 /nfs/dbraw/zinc/12/03/24/180120324.db2.gz RZDRANBJBIRQNK-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO Cc1ncc(C(=O)Nc2cc[nH+]cc2O)s1 ZINC000358360992 180128216 /nfs/dbraw/zinc/12/82/16/180128216.db2.gz VWBQMQTXQYLSCQ-UHFFFAOYSA-N 1 2 235.268 1.226 20 0 BDADLO OC[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(F)c1 ZINC000604768844 350185657 /nfs/dbraw/zinc/18/56/57/350185657.db2.gz RXVUQAOFRRQNOV-GFCCVEGCSA-N 1 2 235.262 1.372 20 0 BDADLO O=C(CC1CCCC1)NCCCn1cc[nH+]c1 ZINC000003766682 350188823 /nfs/dbraw/zinc/18/88/23/350188823.db2.gz PMWZNHADKVZDMB-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@@H](O)C[N@H+](CC[C@H]1CCOC1)CC(F)F ZINC000449632577 201988280 /nfs/dbraw/zinc/98/82/80/201988280.db2.gz ROBQRHWJIDWVBE-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H](O)C[N@@H+](CC[C@H]1CCOC1)CC(F)F ZINC000449632577 201988283 /nfs/dbraw/zinc/98/82/83/201988283.db2.gz ROBQRHWJIDWVBE-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO Cc1nc(N2CC[C@]3(C2)CCCOC3)cc[nH+]1 ZINC000376472332 180195141 /nfs/dbraw/zinc/19/51/41/180195141.db2.gz DHMKOGNGWMHYSI-ZDUSSCGKSA-N 1 2 233.315 1.792 20 0 BDADLO Cc1nc(NCCO[C@@H]2CCCCO2)cc[nH+]1 ZINC000292232562 180198253 /nfs/dbraw/zinc/19/82/53/180198253.db2.gz FTCVIMTZMQOJSQ-GFCCVEGCSA-N 1 2 237.303 1.740 20 0 BDADLO Cc1nc(NCCC(=O)OC(C)C)cc[nH+]1 ZINC000309327104 180198499 /nfs/dbraw/zinc/19/84/99/180198499.db2.gz GVLZJOQCLZKNTE-UHFFFAOYSA-N 1 2 223.276 1.539 20 0 BDADLO Cc1nc(NCCSCCCO)cc[nH+]1 ZINC000229944034 180199362 /nfs/dbraw/zinc/19/93/62/180199362.db2.gz UOAFKSQVWFHCPN-UHFFFAOYSA-N 1 2 227.333 1.313 20 0 BDADLO Cc1ccc([C@H](O)CNc2cc[nH+]c(C)n2)o1 ZINC000266247373 180200163 /nfs/dbraw/zinc/20/01/63/180200163.db2.gz MMHOGIPXKNOUAY-SNVBAGLBSA-N 1 2 233.271 1.832 20 0 BDADLO Cc1nc(NC[C@@]2(O)CCC[C@H]2C)cc[nH+]1 ZINC000292699800 180200931 /nfs/dbraw/zinc/20/09/31/180200931.db2.gz ALRIIYIHOLXUIU-SKDRFNHKSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(NCCn2cnnc2C(C)C)cc[nH+]1 ZINC000080229893 180200965 /nfs/dbraw/zinc/20/09/65/180200965.db2.gz UURSPPNWMBRHCO-UHFFFAOYSA-N 1 2 246.318 1.612 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C)n2)n1C1CC1 ZINC000182531954 180201932 /nfs/dbraw/zinc/20/19/32/180201932.db2.gz QCDOROWXEREDMO-UHFFFAOYSA-N 1 2 244.302 1.632 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H]2CCO)cc[nH+]1 ZINC000275069819 180202021 /nfs/dbraw/zinc/20/20/21/180202021.db2.gz ZDLRVRIGMSSNIV-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(NCc2nccs2)cc[nH+]1 ZINC000054936124 180203667 /nfs/dbraw/zinc/20/36/67/180203667.db2.gz UDUDIQJGIDEBHV-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N3CCCC[C@H]23)cc[nH+]1 ZINC000374581380 180203754 /nfs/dbraw/zinc/20/37/54/180203754.db2.gz AUBRSRHOVFBOAU-GHMZBOCLSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1nc(N[C@@H](C)Cn2cccn2)cc[nH+]1 ZINC000054936146 180203857 /nfs/dbraw/zinc/20/38/57/180203857.db2.gz XMIHQROTLQFBTQ-VIFPVBQESA-N 1 2 217.276 1.482 20 0 BDADLO Cc1nc(NCc2ccncc2)cc[nH+]1 ZINC000054935764 180203915 /nfs/dbraw/zinc/20/39/15/180203915.db2.gz DQNIDVJGQQTMKG-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1nc(N[C@@H]2CSC[C@H]2C)cc[nH+]1 ZINC000306592897 180206446 /nfs/dbraw/zinc/20/64/46/180206446.db2.gz IMMOLKRRBGJWBV-VXNVDRBHSA-N 1 2 209.318 1.948 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@]3(CCOC3)C2)cc[nH+]1 ZINC000374510594 180206960 /nfs/dbraw/zinc/20/69/60/180206960.db2.gz VOHJWHBNEQXVRR-WCQYABFASA-N 1 2 249.314 1.535 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@H](C)C2)cc[nH+]1 ZINC000220107600 180208125 /nfs/dbraw/zinc/20/81/25/180208125.db2.gz TYPORCOLXPCGGK-SCZZXKLOSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nccnc1NCc1[nH+]ccn1CC(C)C ZINC000357506413 180180387 /nfs/dbraw/zinc/18/03/87/180180387.db2.gz USYZWQCACCRJPK-UHFFFAOYSA-N 1 2 245.330 1.672 20 0 BDADLO Cc1nc(NCCOC(F)(F)F)cc[nH+]1 ZINC000336661789 180182146 /nfs/dbraw/zinc/18/21/46/180182146.db2.gz CEFNMURKBOIHDF-UHFFFAOYSA-N 1 2 221.182 1.155 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)n1 ZINC000373612440 180186077 /nfs/dbraw/zinc/18/60/77/180186077.db2.gz RMMBVFOYNQKERN-QMTHXVAHSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)n1 ZINC000373612440 180186078 /nfs/dbraw/zinc/18/60/78/180186078.db2.gz RMMBVFOYNQKERN-QMTHXVAHSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000082707791 180213829 /nfs/dbraw/zinc/21/38/29/180213829.db2.gz LFVYGLLJBMGTLO-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1[nH+]cccc1NCc1cnn(C)c1 ZINC000085726635 180226598 /nfs/dbraw/zinc/22/65/98/180226598.db2.gz MCSJBZKTFLKQDE-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC=CC1 ZINC000637197789 350258139 /nfs/dbraw/zinc/25/81/39/350258139.db2.gz KZHIZOBWZAYLPN-JTQLQIEISA-N 1 2 234.303 1.545 20 0 BDADLO COc1ccc[nH+]c1NCCC(C)(C)O ZINC000309103289 323317585 /nfs/dbraw/zinc/31/75/85/323317585.db2.gz KMCIQJKGRWOJHK-UHFFFAOYSA-N 1 2 210.277 1.663 20 0 BDADLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000172021280 180314385 /nfs/dbraw/zinc/31/43/85/180314385.db2.gz COKVQADPZXBXAC-SECBINFHSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000172021280 180314388 /nfs/dbraw/zinc/31/43/88/180314388.db2.gz COKVQADPZXBXAC-SECBINFHSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1CN(C)Cc1[nH]cc[nH+]1 ZINC000171938026 180314459 /nfs/dbraw/zinc/31/44/59/180314459.db2.gz GMZVRVJLHSZWLG-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CCc1cc(NC[C@@H]2CCCOC2)nc[nH+]1 ZINC000040765203 350395219 /nfs/dbraw/zinc/39/52/19/350395219.db2.gz DDRIRXZVYGGYEK-JTQLQIEISA-N 1 2 221.304 1.878 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C1CC1)C1COC1 ZINC000296207608 180373621 /nfs/dbraw/zinc/37/36/21/180373621.db2.gz ZQEGAKPRNNYZET-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C1CC1)C1COC1 ZINC000296207608 180373622 /nfs/dbraw/zinc/37/36/22/180373622.db2.gz ZQEGAKPRNNYZET-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cnc(C)cn1 ZINC000336728646 350485133 /nfs/dbraw/zinc/48/51/33/350485133.db2.gz NECBMGYBVYTSKE-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cnc(C)cn1 ZINC000336728646 350485135 /nfs/dbraw/zinc/48/51/35/350485135.db2.gz NECBMGYBVYTSKE-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cn(C)nn1 ZINC000336783925 350512383 /nfs/dbraw/zinc/51/23/83/350512383.db2.gz ISSIWZUALAVYHV-ZDUSSCGKSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336783925 350512389 /nfs/dbraw/zinc/51/23/89/350512389.db2.gz ISSIWZUALAVYHV-ZDUSSCGKSA-N 1 2 245.330 1.793 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1CF ZINC000567914586 350605808 /nfs/dbraw/zinc/60/58/08/350605808.db2.gz YXYHSZAIXAJSGY-GXSJLCMTSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1CF ZINC000567914586 350605810 /nfs/dbraw/zinc/60/58/10/350605810.db2.gz YXYHSZAIXAJSGY-GXSJLCMTSA-N 1 2 239.294 1.549 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000051886925 191113481 /nfs/dbraw/zinc/11/34/81/191113481.db2.gz SQFDARPRVIIJLD-SECBINFHSA-N 1 2 239.319 1.181 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000051886925 191113482 /nfs/dbraw/zinc/11/34/82/191113482.db2.gz SQFDARPRVIIJLD-SECBINFHSA-N 1 2 239.319 1.181 20 0 BDADLO CCOC1(C)C[NH+](Cc2cnc(C)o2)C1 ZINC000628307738 350607580 /nfs/dbraw/zinc/60/75/80/350607580.db2.gz ZXIYRHLUMCCRRP-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO OCCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936915 350629802 /nfs/dbraw/zinc/62/98/02/350629802.db2.gz QORGSSJSSDWQAC-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO OCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606936915 350629806 /nfs/dbraw/zinc/62/98/06/350629806.db2.gz QORGSSJSSDWQAC-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000172465050 535150032 /nfs/dbraw/zinc/15/00/32/535150032.db2.gz JSSHUPKNFIEKAO-NSHDSACASA-N 1 2 238.335 1.474 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C2(C3CC3)CC2)no1 ZINC000380145136 365997298 /nfs/dbraw/zinc/99/72/98/365997298.db2.gz WOSKYJWBJZBHSW-SSDOTTSWSA-N 1 2 207.277 1.971 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000302268502 191120049 /nfs/dbraw/zinc/12/00/49/191120049.db2.gz RHZINUIGUVVPAF-FSIBCCDJSA-N 1 2 207.277 1.524 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376954516 187466237 /nfs/dbraw/zinc/46/62/37/187466237.db2.gz LFNIWXSDFILSTN-VXGBXAGGSA-N 1 2 249.358 1.854 20 0 BDADLO COc1ccc(CNc2c[nH]c[nH+]2)cc1O ZINC000309892359 350824822 /nfs/dbraw/zinc/82/48/22/350824822.db2.gz DCOQWIUBVSLGSS-UHFFFAOYSA-N 1 2 219.244 1.736 20 0 BDADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccn(C)n2)o1 ZINC000628309099 350785122 /nfs/dbraw/zinc/78/51/22/350785122.db2.gz ACIHBRQHIYKJHP-QMMMGPOBSA-N 1 2 234.303 1.876 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000628309723 350785691 /nfs/dbraw/zinc/78/56/91/350785691.db2.gz OSNKGIJQSLOCGX-IUCAKERBSA-N 1 2 209.318 1.408 20 0 BDADLO Cc1c[nH]c(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000628309723 350785695 /nfs/dbraw/zinc/78/56/95/350785695.db2.gz OSNKGIJQSLOCGX-IUCAKERBSA-N 1 2 209.318 1.408 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2ccn(C)n2)o1 ZINC000628309474 350786121 /nfs/dbraw/zinc/78/61/21/350786121.db2.gz XXOMBYCRHFILDW-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)o1 ZINC000628310350 350788760 /nfs/dbraw/zinc/78/87/60/350788760.db2.gz ZOBXRKNQKAIDBR-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C3CCC3)C2)o1 ZINC000628310350 350788762 /nfs/dbraw/zinc/78/87/62/350788762.db2.gz ZOBXRKNQKAIDBR-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CNC(=O)C[NH+](C)[C@H](C)c1ccccc1F ZINC000052074257 350929788 /nfs/dbraw/zinc/92/97/88/350929788.db2.gz VNWNUMJKJCCLNK-SECBINFHSA-N 1 2 224.279 1.565 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)[C@H](O)C(F)(F)F ZINC000631236577 350890069 /nfs/dbraw/zinc/89/00/69/350890069.db2.gz ONXPOMGSTJPNPA-FSPLSTOPSA-N 1 2 240.250 1.544 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)[C@@H](O)C(F)(F)F ZINC000631236576 350890198 /nfs/dbraw/zinc/89/01/98/350890198.db2.gz ONXPOMGSTJPNPA-CAHLUQPWSA-N 1 2 240.250 1.544 20 0 BDADLO C[C@H]1C[C@H](C)N(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607147515 350947570 /nfs/dbraw/zinc/94/75/70/350947570.db2.gz SQRXYCMTIDZSQV-QWRGUYRKSA-N 1 2 243.314 1.897 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442618 350947583 /nfs/dbraw/zinc/94/75/83/350947583.db2.gz FWEWCPBWSWCGQX-UHFFFAOYSA-N 1 2 224.304 1.578 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442618 350947587 /nfs/dbraw/zinc/94/75/87/350947587.db2.gz FWEWCPBWSWCGQX-UHFFFAOYSA-N 1 2 224.304 1.578 20 0 BDADLO Cc1cc(NC[C@@H](C)C[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000607147498 350947621 /nfs/dbraw/zinc/94/76/21/350947621.db2.gz PNORBEXEPYETQT-ONGXEEELSA-N 1 2 249.358 1.903 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)cc1[N+](=O)[O-] ZINC000398283414 351018692 /nfs/dbraw/zinc/01/86/92/351018692.db2.gz AFWVIZYPPJTXHV-UHFFFAOYSA-N 1 2 247.258 1.311 20 0 BDADLO CSC[C@@H](CCO)Nc1cc[nH+]cc1F ZINC000389897773 351049193 /nfs/dbraw/zinc/04/91/93/351049193.db2.gz BFHFHVCZXDZFKX-MRVPVSSYSA-N 1 2 230.308 1.169 20 0 BDADLO Cc1ccc2ncc(C[NH2+]Cc3cnn[nH]3)n2c1 ZINC000623578188 363009590 /nfs/dbraw/zinc/00/95/90/363009590.db2.gz YVZCXOJNQXGAAT-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO CCCCc1cc(NCC(C)(C)CO)nc[nH+]1 ZINC000631174285 351183539 /nfs/dbraw/zinc/18/35/39/351183539.db2.gz XUUREUQFUIPZKQ-UHFFFAOYSA-N 1 2 237.347 1.672 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000628339515 351283165 /nfs/dbraw/zinc/28/31/65/351283165.db2.gz PVQDSFWWRMFLHD-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CC2=CCCOC2)n1 ZINC000628339515 351283169 /nfs/dbraw/zinc/28/31/69/351283169.db2.gz PVQDSFWWRMFLHD-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO Cc1[nH]c(CN2CCc3nccnc3C2)[nH+]c1C ZINC000628351333 351313588 /nfs/dbraw/zinc/31/35/88/351313588.db2.gz BMUGMYAZEALAFN-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO OCCCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631250159 351385599 /nfs/dbraw/zinc/38/55/99/351385599.db2.gz HEIGXYFVPDXYSN-UHFFFAOYSA-N 1 2 246.314 1.971 20 0 BDADLO CCOC(=O)CN(C)Cc1c[nH+]cn1C(C)C ZINC000090237112 363026738 /nfs/dbraw/zinc/02/67/38/363026738.db2.gz GVMIBXJPENJTQN-UHFFFAOYSA-N 1 2 239.319 1.459 20 0 BDADLO CCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000273770581 351545818 /nfs/dbraw/zinc/54/58/18/351545818.db2.gz RYLMPRTUSHSQCS-UHFFFAOYSA-N 1 2 228.255 1.871 20 0 BDADLO CCCC[C@H](C)[NH2+][C@@H](COC)C(=O)OC ZINC000336730944 351613547 /nfs/dbraw/zinc/61/35/47/351613547.db2.gz KKQGGNDYDVNPHB-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccc(F)cn1 ZINC000276107332 351610175 /nfs/dbraw/zinc/61/01/75/351610175.db2.gz AAQWAHFGAISLNP-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccc(F)cn1 ZINC000276107332 351610177 /nfs/dbraw/zinc/61/01/77/351610177.db2.gz AAQWAHFGAISLNP-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000582140734 351616669 /nfs/dbraw/zinc/61/66/69/351616669.db2.gz ZPYUAVZGPPPJCK-WZRBSPASSA-N 1 2 249.358 1.904 20 0 BDADLO CCO[C@H](C(=O)Nc1ccc(N)[nH+]c1)C1CC1 ZINC000637827661 351670355 /nfs/dbraw/zinc/67/03/55/351670355.db2.gz LGPKGOFCMKBBED-NSHDSACASA-N 1 2 235.287 1.248 20 0 BDADLO [NH3+]CCCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000572242078 323578115 /nfs/dbraw/zinc/57/81/15/323578115.db2.gz ZDAPGNJKWPVHJA-UHFFFAOYSA-N 1 2 244.241 1.139 20 0 BDADLO C[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccco1 ZINC000607629382 351787380 /nfs/dbraw/zinc/78/73/80/351787380.db2.gz XYRGJZCHNGNMTP-WDEREUQCSA-N 1 2 247.298 1.785 20 0 BDADLO CC(C)CN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278284882 351755030 /nfs/dbraw/zinc/75/50/30/351755030.db2.gz FVGDSPJOZSFJSV-UHFFFAOYSA-N 1 2 234.307 1.038 20 0 BDADLO COc1ncc(C[NH+]2CCSCC2)s1 ZINC000637889433 351757929 /nfs/dbraw/zinc/75/79/29/351757929.db2.gz MXBJRIHQLIURST-UHFFFAOYSA-N 1 2 230.358 1.701 20 0 BDADLO C[NH2+]Cc1noc(C[C@@H]2C=CCCC2)n1 ZINC000577838488 366079321 /nfs/dbraw/zinc/07/93/21/366079321.db2.gz VUDMNNSKRMNASO-SECBINFHSA-N 1 2 207.277 1.688 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC(C)=C(C)C2)[nH]1 ZINC000280862133 351863445 /nfs/dbraw/zinc/86/34/45/351863445.db2.gz YTCQEWFONARQHD-UHFFFAOYSA-N 1 2 220.320 1.909 20 0 BDADLO CCc1nnc(C[N@H+]2CCC(C)=C(C)C2)[nH]1 ZINC000280862133 351863448 /nfs/dbraw/zinc/86/34/48/351863448.db2.gz YTCQEWFONARQHD-UHFFFAOYSA-N 1 2 220.320 1.909 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2CCC[C@@H]2CCO2)no1 ZINC000637998392 351875622 /nfs/dbraw/zinc/87/56/22/351875622.db2.gz IGIPDCCPXMNVMT-MNOVXSKESA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2CCC[C@@H]2CCO2)no1 ZINC000637998392 351875624 /nfs/dbraw/zinc/87/56/24/351875624.db2.gz IGIPDCCPXMNVMT-MNOVXSKESA-N 1 2 237.303 1.776 20 0 BDADLO CC[N@H+](Cc1c(C)noc1C)[C@@H]1CCNC1=O ZINC000282403688 351931714 /nfs/dbraw/zinc/93/17/14/351931714.db2.gz PTBKCIHKDLFOJW-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC[N@@H+](Cc1c(C)noc1C)[C@@H]1CCNC1=O ZINC000282403688 351931717 /nfs/dbraw/zinc/93/17/17/351931717.db2.gz PTBKCIHKDLFOJW-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1 ZINC000340105250 351904401 /nfs/dbraw/zinc/90/44/01/351904401.db2.gz IUFJMZOQFHPBSZ-GFCCVEGCSA-N 1 2 243.310 1.631 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283072607 351957887 /nfs/dbraw/zinc/95/78/87/351957887.db2.gz RWNOYVJTZUSROW-ZJUUUORDSA-N 1 2 239.319 1.648 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638097310 351977595 /nfs/dbraw/zinc/97/75/95/351977595.db2.gz TXMZDVCFZXHPSK-ZJUUUORDSA-N 1 2 226.324 1.298 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638097310 351977597 /nfs/dbraw/zinc/97/75/97/351977597.db2.gz TXMZDVCFZXHPSK-ZJUUUORDSA-N 1 2 226.324 1.298 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CC2)sn1 ZINC000638115194 351990417 /nfs/dbraw/zinc/99/04/17/351990417.db2.gz BGTSRMYEINRQRB-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CC2)sn1 ZINC000638115194 351990419 /nfs/dbraw/zinc/99/04/19/351990419.db2.gz BGTSRMYEINRQRB-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000618874106 351992992 /nfs/dbraw/zinc/99/29/92/351992992.db2.gz KPIFOOVLGMVHAF-YPMHNXCESA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)C(=O)NCC[N@H+](C)Cc1ccns1 ZINC000638182283 352049455 /nfs/dbraw/zinc/04/94/55/352049455.db2.gz MCGCZLUGONZBRQ-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccns1 ZINC000638182283 352049457 /nfs/dbraw/zinc/04/94/57/352049457.db2.gz MCGCZLUGONZBRQ-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC=CCC1 ZINC000613323238 363104320 /nfs/dbraw/zinc/10/43/20/363104320.db2.gz DQNYPLLAXBXHRC-GHMZBOCLSA-N 1 2 231.299 1.312 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000669343689 487535751 /nfs/dbraw/zinc/53/57/51/487535751.db2.gz QSYSWNDNDDOERX-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000669343689 487535759 /nfs/dbraw/zinc/53/57/59/487535759.db2.gz QSYSWNDNDDOERX-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccccc2CO)o1 ZINC000638415913 352223915 /nfs/dbraw/zinc/22/39/15/352223915.db2.gz MTJZQUQCYMABQL-UHFFFAOYSA-N 1 2 232.283 1.765 20 0 BDADLO CC[NH+](CC)Cc1ccc(S(C)(=O)=O)o1 ZINC000411146794 191164946 /nfs/dbraw/zinc/16/49/46/191164946.db2.gz VQMRIQXLDPTDIL-UHFFFAOYSA-N 1 2 231.317 1.525 20 0 BDADLO Cc1cc(C[NH+]2CC3(CC3(F)F)C2)on1 ZINC000630073779 363157714 /nfs/dbraw/zinc/15/77/14/363157714.db2.gz BZSKGXSUZWARRG-UHFFFAOYSA-N 1 2 214.215 1.824 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)on1 ZINC000630074272 363158820 /nfs/dbraw/zinc/15/88/20/363158820.db2.gz HRCYNKWZOCSOQB-LLVKDONJSA-N 1 2 237.347 1.945 20 0 BDADLO CC[N@H+](CCc1cncs1)CC(=O)OC ZINC000411226168 191171017 /nfs/dbraw/zinc/17/10/17/191171017.db2.gz HWCNLKBPUFBMRI-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CC[N@@H+](CCc1cncs1)CC(=O)OC ZINC000411226168 191171020 /nfs/dbraw/zinc/17/10/20/191171020.db2.gz HWCNLKBPUFBMRI-UHFFFAOYSA-N 1 2 228.317 1.181 20 0 BDADLO CC(C)[C@@H]([NH2+]CC[C@@H](C)O)C(=O)OC(C)(C)C ZINC000411476472 191188500 /nfs/dbraw/zinc/18/85/00/191188500.db2.gz GRSYNVUCLRUZQN-GHMZBOCLSA-N 1 2 245.363 1.713 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000294674751 352382641 /nfs/dbraw/zinc/38/26/41/352382641.db2.gz STPLWDWQXUQOOU-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411538042 191192154 /nfs/dbraw/zinc/19/21/54/191192154.db2.gz SUNZBVIGVXZJRA-WDEREUQCSA-N 1 2 243.347 1.469 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1conc1C ZINC000295222904 352403210 /nfs/dbraw/zinc/40/32/10/352403210.db2.gz BXLKZSGXKVDAOQ-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1conc1C ZINC000295222904 352403214 /nfs/dbraw/zinc/40/32/14/352403214.db2.gz BXLKZSGXKVDAOQ-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CCc1nc(C[NH+]2CC(C(C)(C)O)C2)cs1 ZINC000297343889 352474974 /nfs/dbraw/zinc/47/49/74/352474974.db2.gz FXDGFDKRUAHQNJ-UHFFFAOYSA-N 1 2 240.372 1.908 20 0 BDADLO CCc1nc(C[NH+]2CC(CC(N)=O)C2)cs1 ZINC000297435983 352476355 /nfs/dbraw/zinc/47/63/55/352476355.db2.gz PAIFOSFPOKKJQA-UHFFFAOYSA-N 1 2 239.344 1.013 20 0 BDADLO CC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000299693017 352544629 /nfs/dbraw/zinc/54/46/29/352544629.db2.gz WWFXYZMYZNWBLD-GFCCVEGCSA-N 1 2 235.331 1.922 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](CF)C1 ZINC000411869856 191225124 /nfs/dbraw/zinc/22/51/24/191225124.db2.gz YNOIBMNZERVLTI-SNVBAGLBSA-N 1 2 227.283 1.073 20 0 BDADLO CCC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccccn1 ZINC000608056083 352651424 /nfs/dbraw/zinc/65/14/24/352651424.db2.gz NZJSVKBQHSGSMR-GFCCVEGCSA-N 1 2 245.330 1.841 20 0 BDADLO CCc1nc(C[NH2+][C@H](C)C2(OC)CCC2)no1 ZINC000412019522 191237265 /nfs/dbraw/zinc/23/72/65/191237265.db2.gz FQHXVYZCNANSST-SECBINFHSA-N 1 2 239.319 1.679 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412021503 191237606 /nfs/dbraw/zinc/23/76/06/191237606.db2.gz OKOUVVBJTIXRHH-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000086935078 352747442 /nfs/dbraw/zinc/74/74/42/352747442.db2.gz VZCARBHSKPUGAP-CSMHCCOUSA-N 1 2 203.307 1.032 20 0 BDADLO Cn1c[nH+]cc1CSC[C@H]1CCCO1 ZINC000276907501 180790565 /nfs/dbraw/zinc/79/05/65/180790565.db2.gz MTJWZTGGYHIBFW-SNVBAGLBSA-N 1 2 212.318 1.832 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000334218439 352819799 /nfs/dbraw/zinc/81/97/99/352819799.db2.gz TVVQMMLBPFAZAV-XPTSAGLGSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000334218439 352819802 /nfs/dbraw/zinc/81/98/02/352819802.db2.gz TVVQMMLBPFAZAV-XPTSAGLGSA-N 1 2 221.341 1.577 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CCC3)[nH+]c12 ZINC000334204090 352798609 /nfs/dbraw/zinc/79/86/09/352798609.db2.gz VJNDBCIPTZGANN-UHFFFAOYSA-N 1 2 229.283 1.418 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334206844 352802896 /nfs/dbraw/zinc/80/28/96/352802896.db2.gz DNWHZZPBOBANSH-UWVGGRQHSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334206844 352802897 /nfs/dbraw/zinc/80/28/97/352802897.db2.gz DNWHZZPBOBANSH-UWVGGRQHSA-N 1 2 235.331 1.675 20 0 BDADLO FCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000379371171 538105635 /nfs/dbraw/zinc/10/56/35/538105635.db2.gz HLGHLPOGBOCVAL-UHFFFAOYSA-N 1 2 200.282 1.691 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000334314912 352945912 /nfs/dbraw/zinc/94/59/12/352945912.db2.gz QCNQBSMBDAENEX-IUCAKERBSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000334314912 352945913 /nfs/dbraw/zinc/94/59/13/352945913.db2.gz QCNQBSMBDAENEX-IUCAKERBSA-N 1 2 209.293 1.862 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000334328700 352965668 /nfs/dbraw/zinc/96/56/68/352965668.db2.gz NFTYQXVMPPHIKQ-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000334328700 352965669 /nfs/dbraw/zinc/96/56/69/352965669.db2.gz NFTYQXVMPPHIKQ-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1[nH+]c2cccc(F)c2n1C ZINC000334361850 353012731 /nfs/dbraw/zinc/01/27/31/353012731.db2.gz JPKFSIKMLXIOKP-IUCAKERBSA-N 1 2 249.289 1.672 20 0 BDADLO Cc1cnc(CNCC[NH+]2CCSCC2)o1 ZINC000638865518 353039587 /nfs/dbraw/zinc/03/95/87/353039587.db2.gz AORDPNGTOIWSTC-UHFFFAOYSA-N 1 2 241.360 1.121 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000334407200 353088428 /nfs/dbraw/zinc/08/84/28/353088428.db2.gz HBZNJNDZMCBCPA-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000334407200 353088430 /nfs/dbraw/zinc/08/84/30/353088430.db2.gz HBZNJNDZMCBCPA-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000093107617 538108436 /nfs/dbraw/zinc/10/84/36/538108436.db2.gz HFWKKCIVXBNWQJ-NSHDSACASA-N 1 2 223.320 1.313 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000093107617 538108437 /nfs/dbraw/zinc/10/84/37/538108437.db2.gz HFWKKCIVXBNWQJ-NSHDSACASA-N 1 2 223.320 1.313 20 0 BDADLO CC[C@@H](C)CNc1ccc(N(C)CCO)c[nH+]1 ZINC000093107683 538108532 /nfs/dbraw/zinc/10/85/32/538108532.db2.gz RLFURMMABLPIHQ-LLVKDONJSA-N 1 2 237.347 1.968 20 0 BDADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCO ZINC000301887104 188059526 /nfs/dbraw/zinc/05/95/26/188059526.db2.gz MMOGWVDAMGOJOE-UHFFFAOYSA-N 1 2 249.318 1.376 20 0 BDADLO CC(C)c1nc(N(C)CCCCO)cc[nH+]1 ZINC000302752687 188059571 /nfs/dbraw/zinc/05/95/71/188059571.db2.gz HMISHAOSFICFEB-UHFFFAOYSA-N 1 2 223.320 1.809 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000301880751 188059624 /nfs/dbraw/zinc/05/96/24/188059624.db2.gz ZSEWCLBBNLBYJR-WDEREUQCSA-N 1 2 221.304 1.382 20 0 BDADLO CC(C)(CF)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000354424916 188063471 /nfs/dbraw/zinc/06/34/71/188063471.db2.gz XPUAJLFLBIMRFC-UHFFFAOYSA-N 1 2 249.289 1.741 20 0 BDADLO Cc1cc(NC(=O)CCc2cnccn2)cc[nH+]1 ZINC000355981359 188065001 /nfs/dbraw/zinc/06/50/01/188065001.db2.gz GUEREKSTEKCRLL-UHFFFAOYSA-N 1 2 242.282 1.173 20 0 BDADLO CC(C)[C@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000357867695 188067648 /nfs/dbraw/zinc/06/76/48/188067648.db2.gz NEYMBDZDSWDIRZ-SNVBAGLBSA-N 1 2 238.335 1.511 20 0 BDADLO O=C1N=NC(C[N@@H+]2CCC[C@H](C3CC3)C2)S1 ZINC000367987516 188072601 /nfs/dbraw/zinc/07/26/01/188072601.db2.gz FJFBEBUREPHWOD-VIFPVBQESA-N 1 2 239.344 1.866 20 0 BDADLO O=C1N=NC(C[N@H+]2CCC[C@H](C3CC3)C2)S1 ZINC000367987516 188072603 /nfs/dbraw/zinc/07/26/03/188072603.db2.gz FJFBEBUREPHWOD-VIFPVBQESA-N 1 2 239.344 1.866 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000368095556 188073072 /nfs/dbraw/zinc/07/30/72/188073072.db2.gz QWUNMULYUIDGNF-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000368095556 188073073 /nfs/dbraw/zinc/07/30/73/188073073.db2.gz QWUNMULYUIDGNF-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO CC(=O)CSCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000373216016 188074738 /nfs/dbraw/zinc/07/47/38/188074738.db2.gz KZAJCWWEKSMTLG-PHIMTYICSA-N 1 2 229.345 1.172 20 0 BDADLO CC(=O)CSCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000373216016 188074740 /nfs/dbraw/zinc/07/47/40/188074740.db2.gz KZAJCWWEKSMTLG-PHIMTYICSA-N 1 2 229.345 1.172 20 0 BDADLO CC(C)(O)Cn1cc[nH+]c1-c1ccncc1 ZINC000372927702 188074991 /nfs/dbraw/zinc/07/49/91/188074991.db2.gz LRNOUBDKPABUCB-UHFFFAOYSA-N 1 2 217.272 1.716 20 0 BDADLO CC(=O)CCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375377110 188077418 /nfs/dbraw/zinc/07/74/18/188077418.db2.gz LUYAXMUJARHJRF-NSHDSACASA-N 1 2 249.314 1.833 20 0 BDADLO CC(=O)Nc1nc(Cn2cc[nH+]c2)cs1 ZINC000122507864 188077853 /nfs/dbraw/zinc/07/78/53/188077853.db2.gz CJSVHUAWILDGAM-UHFFFAOYSA-N 1 2 222.273 1.346 20 0 BDADLO c1nnc([C@@H]2CCCC[N@H+]2C[C@H]2CCCO2)[nH]1 ZINC000329395698 538108971 /nfs/dbraw/zinc/10/89/71/538108971.db2.gz VSJIADOMKKJQIO-MNOVXSKESA-N 1 2 236.319 1.511 20 0 BDADLO c1nnc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCO2)[nH]1 ZINC000329395698 538108972 /nfs/dbraw/zinc/10/89/72/538108972.db2.gz VSJIADOMKKJQIO-MNOVXSKESA-N 1 2 236.319 1.511 20 0 BDADLO CC(C)CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000049459702 353164553 /nfs/dbraw/zinc/16/45/53/353164553.db2.gz FGGMCYGLIUYFMS-UHFFFAOYSA-N 1 2 224.308 1.181 20 0 BDADLO c1coc(C[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000061015416 188128353 /nfs/dbraw/zinc/12/83/53/188128353.db2.gz TUWWXKXBPJKXOD-UHFFFAOYSA-N 1 2 246.314 1.887 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)C(C)(C)C ZINC000291318382 538110630 /nfs/dbraw/zinc/11/06/30/538110630.db2.gz UOSFRUQKLHELQH-SECBINFHSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1nc(N2CCC[C@@H]2c2nncn2C)cc[nH+]1 ZINC000072357337 188132030 /nfs/dbraw/zinc/13/20/30/188132030.db2.gz MVOVNWHUXYJBMW-SNVBAGLBSA-N 1 2 244.302 1.255 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1=CCCCC1 ZINC000291416924 538110637 /nfs/dbraw/zinc/11/06/37/538110637.db2.gz KBCPVEOMPYLQKR-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO O=C(CC1CCC1)NCCn1cc[nH+]c1 ZINC000079543274 188136297 /nfs/dbraw/zinc/13/62/97/188136297.db2.gz XTCTYLSPDSLBBX-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CC[C@H](NCc1cocn1)c1[nH+]ccn1C ZINC000381608503 538111460 /nfs/dbraw/zinc/11/14/60/538111460.db2.gz RGFLHJQZOMKYOG-JTQLQIEISA-N 1 2 220.276 1.649 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ncn(C)n1 ZINC000309591729 188168710 /nfs/dbraw/zinc/16/87/10/188168710.db2.gz VAPNTJRWTKMBPX-NXEZZACHSA-N 1 2 224.308 1.035 20 0 BDADLO CC(C)[C@H](C)[S@@](=O)Cc1c[nH+]cn1C ZINC000268216892 188196802 /nfs/dbraw/zinc/19/68/02/188196802.db2.gz RQAQYGZQLCMGPG-XPTSAGLGSA-N 1 2 214.334 1.713 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000365144332 188178779 /nfs/dbraw/zinc/17/87/79/188178779.db2.gz YHTIUKSMGIEQPL-RZCNENHTSA-N 1 2 233.315 1.740 20 0 BDADLO CC=C(CC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000365144332 188178780 /nfs/dbraw/zinc/17/87/80/188178780.db2.gz YHTIUKSMGIEQPL-RZCNENHTSA-N 1 2 233.315 1.740 20 0 BDADLO CO[C@@H]1[C@H]2C[C@H]3CN(c4cc(C)[nH+]cn4)[C@H]1[C@H]3C2 ZINC000343258821 353254979 /nfs/dbraw/zinc/25/49/79/353254979.db2.gz WJRVUKVLIHXSGG-NARNDRFESA-N 1 2 245.326 1.645 20 0 BDADLO CC(C)COCC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000337256616 188185864 /nfs/dbraw/zinc/18/58/64/188185864.db2.gz SMIJVFJOQJKLME-GFCCVEGCSA-N 1 2 245.363 1.931 20 0 BDADLO CC(C)COCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000337256616 188185866 /nfs/dbraw/zinc/18/58/66/188185866.db2.gz SMIJVFJOQJKLME-GFCCVEGCSA-N 1 2 245.363 1.931 20 0 BDADLO COc1ccc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000338239012 188188136 /nfs/dbraw/zinc/18/81/36/188188136.db2.gz XAJITQQQGWRUTN-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO Cc1ccc(O)c(CNc2ccc(CO)c[nH+]2)n1 ZINC000356282255 188190905 /nfs/dbraw/zinc/19/09/05/188190905.db2.gz ORUQQSNKDKPIPH-UHFFFAOYSA-N 1 2 245.282 1.595 20 0 BDADLO CC(C)N(CC(N)=O)Cc1[nH+]ccn1C(C)C ZINC000299592796 188216121 /nfs/dbraw/zinc/21/61/21/188216121.db2.gz KRWKWHFTNYKLSV-UHFFFAOYSA-N 1 2 238.335 1.160 20 0 BDADLO CC1(C)CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336766979 353273843 /nfs/dbraw/zinc/27/38/43/353273843.db2.gz SRNPACBZNDQQBY-SSDOTTSWSA-N 1 2 210.281 1.179 20 0 BDADLO CC(C)=CCCNC(=O)Cn1cc[nH+]c1 ZINC000276586201 188201714 /nfs/dbraw/zinc/20/17/14/188201714.db2.gz CMFLXJTZVCTRHW-UHFFFAOYSA-N 1 2 207.277 1.356 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccn(C)c1)c1[nH]cc[nH+]1 ZINC000283167124 188206791 /nfs/dbraw/zinc/20/67/91/188206791.db2.gz ZSGHQMBMHQFTMV-NSHDSACASA-N 1 2 246.314 1.875 20 0 BDADLO CC(=O)CCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000282763300 188207580 /nfs/dbraw/zinc/20/75/80/188207580.db2.gz OJIJASMRQVDRHT-JTQLQIEISA-N 1 2 237.303 1.005 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2csnn2)CCCO1 ZINC000352578278 188230907 /nfs/dbraw/zinc/23/09/07/188230907.db2.gz VZFLSKLGMTWBNZ-NSHDSACASA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2csnn2)CCCO1 ZINC000352578278 188230909 /nfs/dbraw/zinc/23/09/09/188230909.db2.gz VZFLSKLGMTWBNZ-NSHDSACASA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336563618 188231436 /nfs/dbraw/zinc/23/14/36/188231436.db2.gz DOLGQETYUNAVJG-SECBINFHSA-N 1 2 236.319 1.317 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336563618 188231437 /nfs/dbraw/zinc/23/14/37/188231437.db2.gz DOLGQETYUNAVJG-SECBINFHSA-N 1 2 236.319 1.317 20 0 BDADLO Cc1nc(N(C)[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000343270299 353289209 /nfs/dbraw/zinc/28/92/09/353289209.db2.gz LSESNWUQDFUTGZ-VHSXEESVSA-N 1 2 207.277 1.135 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000106882521 188224522 /nfs/dbraw/zinc/22/45/22/188224522.db2.gz HRRVIVCHHWWZQZ-SNVBAGLBSA-N 1 2 239.319 1.489 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000106882521 188224523 /nfs/dbraw/zinc/22/45/23/188224523.db2.gz HRRVIVCHHWWZQZ-SNVBAGLBSA-N 1 2 239.319 1.489 20 0 BDADLO CC(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC000135013120 538114483 /nfs/dbraw/zinc/11/44/83/538114483.db2.gz UUFUXIIJKPNALC-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO C1CC1c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329732719 188226483 /nfs/dbraw/zinc/22/64/83/188226483.db2.gz QJPMFFNYDFGCNH-GHMZBOCLSA-N 1 2 249.314 1.873 20 0 BDADLO C1CC1c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329732719 188226484 /nfs/dbraw/zinc/22/64/84/188226484.db2.gz QJPMFFNYDFGCNH-GHMZBOCLSA-N 1 2 249.314 1.873 20 0 BDADLO CC(C)[C@H](NC(=O)C1CC1)c1[nH]cc[nH+]1 ZINC000331928424 188226753 /nfs/dbraw/zinc/22/67/53/188226753.db2.gz QKNXIQSQSSXWLL-VIFPVBQESA-N 1 2 207.277 1.633 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000398300855 363214173 /nfs/dbraw/zinc/21/41/73/363214173.db2.gz GKMGAUHPZWJGAM-ZJUUUORDSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000398300855 363214176 /nfs/dbraw/zinc/21/41/76/363214176.db2.gz GKMGAUHPZWJGAM-ZJUUUORDSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCO[C@H]1C)c1[nH]cc[nH+]1 ZINC000252978689 353314137 /nfs/dbraw/zinc/31/41/37/353314137.db2.gz DDSDMQZKPLSLIK-AEJSXWLSSA-N 1 2 237.303 1.402 20 0 BDADLO CSCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000077024456 353347853 /nfs/dbraw/zinc/34/78/53/353347853.db2.gz MBUOTEYDSMXNSY-UHFFFAOYSA-N 1 2 227.333 1.591 20 0 BDADLO Cc1cc(N2C[C@H](CO)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000398975581 353397902 /nfs/dbraw/zinc/39/79/02/353397902.db2.gz CLCKFALFWFJJMG-CMPLNLGQSA-N 1 2 245.326 1.716 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2C[C@@](C)(O)C2)cc[nH+]1 ZINC000642296176 363226693 /nfs/dbraw/zinc/22/66/93/363226693.db2.gz YIDBISUAHOMHNW-SWZMTVOYSA-N 1 2 235.331 1.521 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000398388764 363229194 /nfs/dbraw/zinc/22/91/94/363229194.db2.gz WGGBPADEVQETTL-MNOVXSKESA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000398388764 363229196 /nfs/dbraw/zinc/22/91/96/363229196.db2.gz WGGBPADEVQETTL-MNOVXSKESA-N 1 2 220.320 1.863 20 0 BDADLO C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(C2CC2)C1 ZINC000343313948 353624269 /nfs/dbraw/zinc/62/42/69/353624269.db2.gz LALAAIRTIJZEEI-CQSZACIVSA-N 1 2 248.374 1.442 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC2CC2)C1 ZINC000577909566 366100421 /nfs/dbraw/zinc/10/04/21/366100421.db2.gz UBGLCRPPXXNRDA-LBPRGKRZSA-N 1 2 233.315 1.532 20 0 BDADLO O=C1NCC[C@H]1CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000577883879 366094962 /nfs/dbraw/zinc/09/49/62/366094962.db2.gz VVDFAQFOHPCWAE-VHSXEESVSA-N 1 2 246.301 1.632 20 0 BDADLO O=C1NCC[C@H]1CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000577883879 366094965 /nfs/dbraw/zinc/09/49/65/366094965.db2.gz VVDFAQFOHPCWAE-VHSXEESVSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccnc1 ZINC000577926453 366102698 /nfs/dbraw/zinc/10/26/98/366102698.db2.gz ARTCJJKAOSBBHA-JTQLQIEISA-N 1 2 230.271 1.156 20 0 BDADLO c1cc(C[NH+]2CC([C@H]3CCOC3)C2)no1 ZINC000639118610 353751320 /nfs/dbraw/zinc/75/13/20/353751320.db2.gz DDLAPMGRSSCAGE-VIFPVBQESA-N 1 2 208.261 1.143 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1(SC)CC1)C1CC1 ZINC000227935756 363259784 /nfs/dbraw/zinc/25/97/84/363259784.db2.gz ONZHNMKQHSCBDG-SECBINFHSA-N 1 2 229.345 1.423 20 0 BDADLO COCC1(CNc2ccc(CO)c[nH+]2)CCC1 ZINC000639131922 353841156 /nfs/dbraw/zinc/84/11/56/353841156.db2.gz BOMALQSGXIAEPG-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO OCC[N@H+](CC(F)F)CC1CCSCC1 ZINC000639123564 353791051 /nfs/dbraw/zinc/79/10/51/353791051.db2.gz MSMFOUALLDYZKJ-UHFFFAOYSA-N 1 2 239.331 1.689 20 0 BDADLO OCC[N@@H+](CC(F)F)CC1CCSCC1 ZINC000639123564 353791054 /nfs/dbraw/zinc/79/10/54/353791054.db2.gz MSMFOUALLDYZKJ-UHFFFAOYSA-N 1 2 239.331 1.689 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@H](C)CO)[nH+]1 ZINC000343430820 353883763 /nfs/dbraw/zinc/88/37/63/353883763.db2.gz VFZXCQQCFGOXBA-SSDOTTSWSA-N 1 2 220.276 1.083 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CC3)nc2c1CCC2 ZINC000334520286 353884383 /nfs/dbraw/zinc/88/43/83/353884383.db2.gz XGTHMBLKUFGMCM-UHFFFAOYSA-N 1 2 244.338 1.935 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CC3)nc2c1CCC2 ZINC000334520286 353884385 /nfs/dbraw/zinc/88/43/85/353884385.db2.gz XGTHMBLKUFGMCM-UHFFFAOYSA-N 1 2 244.338 1.935 20 0 BDADLO COc1cncc(C[N@@H+]2CCOCC23CC3)c1C ZINC000639144035 353850296 /nfs/dbraw/zinc/85/02/96/353850296.db2.gz SFPIINBMKXNFJB-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1cncc(C[N@H+]2CCOCC23CC3)c1C ZINC000639144035 353850298 /nfs/dbraw/zinc/85/02/98/353850298.db2.gz SFPIINBMKXNFJB-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO CO[C@H](C[NH2+]C1(C(F)F)CC1)[C@H]1CCOC1 ZINC000639139307 353855460 /nfs/dbraw/zinc/85/54/60/353855460.db2.gz INYXEZXNTSBHAW-DTWKUNHWSA-N 1 2 235.274 1.425 20 0 BDADLO Cc1nc(NCc2noc(C3CC3)n2)cc[nH+]1 ZINC000343484415 353906336 /nfs/dbraw/zinc/90/63/36/353906336.db2.gz PTXBASLPRDULDG-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCO[C@H](CF)C2)n1 ZINC000577950358 366129440 /nfs/dbraw/zinc/12/94/40/366129440.db2.gz DILOETFKSFSUGU-CYBMUJFWSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cccc(CC[N@H+]2CCO[C@H](CF)C2)n1 ZINC000577950358 366129443 /nfs/dbraw/zinc/12/94/43/366129443.db2.gz DILOETFKSFSUGU-CYBMUJFWSA-N 1 2 238.306 1.603 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC(C1CC1)C1CC1 ZINC000074148236 353922260 /nfs/dbraw/zinc/92/22/60/353922260.db2.gz SXURIZCSLRDLCF-UHFFFAOYSA-N 1 2 233.315 1.436 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccno2)[C@H](C(N)=O)C1 ZINC000334537838 353925399 /nfs/dbraw/zinc/92/53/99/353925399.db2.gz WWKXICQJFYMFOO-SCZZXKLOSA-N 1 2 223.276 1.810 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccno2)[C@H](C(N)=O)C1 ZINC000334537838 353925400 /nfs/dbraw/zinc/92/54/00/353925400.db2.gz WWKXICQJFYMFOO-SCZZXKLOSA-N 1 2 223.276 1.810 20 0 BDADLO Cc1ccoc1CNC(=O)CCn1cc[nH+]c1 ZINC000343567022 353936032 /nfs/dbraw/zinc/93/60/32/353936032.db2.gz USAYWXDAWFSVGV-UHFFFAOYSA-N 1 2 233.271 1.491 20 0 BDADLO Cc1cc(NC[C@H](CO)C(C)C)nc(C2CC2)[nH+]1 ZINC000343757700 353974775 /nfs/dbraw/zinc/97/47/75/353974775.db2.gz ATVVSHIGEXTXRX-GFCCVEGCSA-N 1 2 249.358 1.761 20 0 BDADLO CC(C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343760993 353976149 /nfs/dbraw/zinc/97/61/49/353976149.db2.gz BVTWHUXCZYGTBL-UHFFFAOYSA-N 1 2 210.281 1.098 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000343767475 353981221 /nfs/dbraw/zinc/98/12/21/353981221.db2.gz YZPSXTSZKQRACT-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000343767475 353981223 /nfs/dbraw/zinc/98/12/23/353981223.db2.gz YZPSXTSZKQRACT-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000343767473 353981231 /nfs/dbraw/zinc/98/12/31/353981231.db2.gz YZPSXTSZKQRACT-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000343767473 353981234 /nfs/dbraw/zinc/98/12/34/353981234.db2.gz YZPSXTSZKQRACT-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC000334552120 353992628 /nfs/dbraw/zinc/99/26/28/353992628.db2.gz JNDNTTUJQTZPCO-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)C(F)(F)F ZINC000334552120 353992630 /nfs/dbraw/zinc/99/26/30/353992630.db2.gz JNDNTTUJQTZPCO-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000343678186 353961769 /nfs/dbraw/zinc/96/17/69/353961769.db2.gz WRSYJIHXFGSKRA-GXSJLCMTSA-N 1 2 207.277 1.462 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000343678186 353961772 /nfs/dbraw/zinc/96/17/72/353961772.db2.gz WRSYJIHXFGSKRA-GXSJLCMTSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3c(n2)CCC3)CCO1 ZINC000334558447 354006705 /nfs/dbraw/zinc/00/67/05/354006705.db2.gz ANUKVGZWRLAFQE-LLVKDONJSA-N 1 2 232.327 1.791 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3c(n2)CCC3)CCO1 ZINC000334558447 354006706 /nfs/dbraw/zinc/00/67/06/354006706.db2.gz ANUKVGZWRLAFQE-LLVKDONJSA-N 1 2 232.327 1.791 20 0 BDADLO CCCCNc1cc(N[C@H]2CC[C@H]2C)nc(N)[nH+]1 ZINC000343803380 354007703 /nfs/dbraw/zinc/00/77/03/354007703.db2.gz GCFBGZQYPDIVDZ-ZJUUUORDSA-N 1 2 249.362 1.733 20 0 BDADLO CCCCNc1cc(N[C@H]2CC[C@H]2C)[nH+]c(N)n1 ZINC000343803380 354007705 /nfs/dbraw/zinc/00/77/05/354007705.db2.gz GCFBGZQYPDIVDZ-ZJUUUORDSA-N 1 2 249.362 1.733 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CC[C@@H]2C)[nH+]1 ZINC000343806164 354009391 /nfs/dbraw/zinc/00/93/91/354009391.db2.gz JVPMLGOXYUOCIX-VHSXEESVSA-N 1 2 249.362 1.693 20 0 BDADLO CC(C)c1nc(N[C@@H]2CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343806164 354009392 /nfs/dbraw/zinc/00/93/92/354009392.db2.gz JVPMLGOXYUOCIX-VHSXEESVSA-N 1 2 249.362 1.693 20 0 BDADLO CCC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(N)=O ZINC000343908065 354036723 /nfs/dbraw/zinc/03/67/23/354036723.db2.gz HLUHPJFVHGCZSE-SNVBAGLBSA-N 1 2 248.330 1.150 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cscn1 ZINC000344170553 354171394 /nfs/dbraw/zinc/17/13/94/354171394.db2.gz KOQRAKVQDLOQEA-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO COCCOCC[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC000344112204 354140853 /nfs/dbraw/zinc/14/08/53/354140853.db2.gz KTFGLWOXDIOVIX-NSHDSACASA-N 1 2 242.319 1.639 20 0 BDADLO COCCOCC[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC000344112204 354140855 /nfs/dbraw/zinc/14/08/55/354140855.db2.gz KTFGLWOXDIOVIX-NSHDSACASA-N 1 2 242.319 1.639 20 0 BDADLO Cc1cc(N[C@H](CCO)C(C)C)nc[nH+]1 ZINC000230915067 363328574 /nfs/dbraw/zinc/32/85/74/363328574.db2.gz PEDDXNBYEGRTNX-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO O=C(CCc1cncs1)Nc1cc[nH+]cc1O ZINC000344201710 354162617 /nfs/dbraw/zinc/16/26/17/354162617.db2.gz ZNFWBGIPPJGPKV-UHFFFAOYSA-N 1 2 249.295 1.237 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000231347727 363341771 /nfs/dbraw/zinc/34/17/71/363341771.db2.gz FOORGLSVNJQESA-JGVFFNPUSA-N 1 2 203.307 1.033 20 0 BDADLO CNC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000334582502 354202162 /nfs/dbraw/zinc/20/21/62/354202162.db2.gz MXFGWOUKKWHEDP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CNC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000334582502 354202166 /nfs/dbraw/zinc/20/21/66/354202166.db2.gz MXFGWOUKKWHEDP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nc(C[N@@H+](C)C2CC(O)C2)oc1C ZINC000334593096 354249102 /nfs/dbraw/zinc/24/91/02/354249102.db2.gz OZFGBGIGQWFQSA-UHFFFAOYSA-N 1 2 210.277 1.247 20 0 BDADLO Cc1nc(C[N@H+](C)C2CC(O)C2)oc1C ZINC000334593096 354249103 /nfs/dbraw/zinc/24/91/03/354249103.db2.gz OZFGBGIGQWFQSA-UHFFFAOYSA-N 1 2 210.277 1.247 20 0 BDADLO Cc1nc(N2CC[C@@H]([C@H]3CCOC3)C2)cc[nH+]1 ZINC000371007433 354251177 /nfs/dbraw/zinc/25/11/77/354251177.db2.gz VAHMECGXCWMONA-NEPJUHHUSA-N 1 2 233.315 1.648 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000344467048 354266226 /nfs/dbraw/zinc/26/62/26/354266226.db2.gz QJRKFOIXTCRDAL-UKKRHICBSA-N 1 2 243.347 1.587 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C12CC(C1)C2 ZINC000627143109 363361756 /nfs/dbraw/zinc/36/17/56/363361756.db2.gz LONQARDJDPKDJU-QUNCOHTASA-N 1 2 231.299 1.114 20 0 BDADLO Cc1nc(N2CC(F)C2)c2c([nH+]1)CCCC2 ZINC000334590650 354221080 /nfs/dbraw/zinc/22/10/80/354221080.db2.gz LXJVMKHXBRUEKG-UHFFFAOYSA-N 1 2 221.279 1.822 20 0 BDADLO c1coc(-c2noc([C@H]3CSC[NH2+]3)n2)c1 ZINC000334595055 354228119 /nfs/dbraw/zinc/22/81/19/354228119.db2.gz MCJKWOWDZKGKHX-ZCFIWIBFSA-N 1 2 223.257 1.665 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)n(C)n1 ZINC000334596656 354230584 /nfs/dbraw/zinc/23/05/84/354230584.db2.gz GOARWNJWFMMUGW-CHWSQXEVSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)n(C)n1 ZINC000334596656 354230585 /nfs/dbraw/zinc/23/05/85/354230585.db2.gz GOARWNJWFMMUGW-CHWSQXEVSA-N 1 2 235.331 1.482 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccccc1F ZINC000334612729 354296482 /nfs/dbraw/zinc/29/64/82/354296482.db2.gz JFTZCQUWCMLAKS-QWRGUYRKSA-N 1 2 227.254 1.730 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccccc1F ZINC000334612729 354296487 /nfs/dbraw/zinc/29/64/87/354296487.db2.gz JFTZCQUWCMLAKS-QWRGUYRKSA-N 1 2 227.254 1.730 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000334614580 354299494 /nfs/dbraw/zinc/29/94/94/354299494.db2.gz OGPQYOWAEHRBLL-TXEJJXNPSA-N 1 2 223.272 1.188 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000334614580 354299497 /nfs/dbraw/zinc/29/94/97/354299497.db2.gz OGPQYOWAEHRBLL-TXEJJXNPSA-N 1 2 223.272 1.188 20 0 BDADLO COC1(C)C[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000639179398 354271605 /nfs/dbraw/zinc/27/16/05/354271605.db2.gz BKOJCFFUILRQCP-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3nccnc3c2)C1 ZINC000639179460 354272728 /nfs/dbraw/zinc/27/27/28/354272728.db2.gz CGBOVYMUQWDFPR-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)C1=CCC1)C1CC1 ZINC000344604628 354324189 /nfs/dbraw/zinc/32/41/89/354324189.db2.gz TTWJKHNXELSWGE-NSHDSACASA-N 1 2 231.299 1.708 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C12CCC(CC1)C2 ZINC000344768714 354358591 /nfs/dbraw/zinc/35/85/91/354358591.db2.gz ANLBUBBXBMUAKP-LKSINWNRSA-N 1 2 247.342 1.968 20 0 BDADLO CO[C@@](C)(C[N@H+](C)Cc1nncn1C)C1CC1 ZINC000639182966 354341185 /nfs/dbraw/zinc/34/11/85/354341185.db2.gz PIUDHPBCZCJCGW-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@@](C)(C[N@@H+](C)Cc1nncn1C)C1CC1 ZINC000639182966 354341188 /nfs/dbraw/zinc/34/11/88/354341188.db2.gz PIUDHPBCZCJCGW-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1nncn1C)OC ZINC000639183044 354341969 /nfs/dbraw/zinc/34/19/69/354341969.db2.gz QKDGPLXCPJSGEL-MNOVXSKESA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1nncn1C)OC ZINC000639183044 354341971 /nfs/dbraw/zinc/34/19/71/354341971.db2.gz QKDGPLXCPJSGEL-MNOVXSKESA-N 1 2 240.351 1.308 20 0 BDADLO C[C@H](CC(=O)NCc1cccnc1)n1cc[nH+]c1 ZINC000578016756 366182808 /nfs/dbraw/zinc/18/28/08/366182808.db2.gz JUDMGQFYVHLFKR-LLVKDONJSA-N 1 2 244.298 1.546 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000334642270 354398660 /nfs/dbraw/zinc/39/86/60/354398660.db2.gz MIZFQQBNHDDVHI-CYBMUJFWSA-N 1 2 247.342 1.908 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c(C)n2)[C@H]1C ZINC000344975816 354404406 /nfs/dbraw/zinc/40/44/06/354404406.db2.gz CYCKBFYAWOVKOR-WCBMZHEXSA-N 1 2 235.287 1.173 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000334645293 354404443 /nfs/dbraw/zinc/40/44/43/354404443.db2.gz OFLJCCVLCQAXBX-LLVKDONJSA-N 1 2 227.254 1.996 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000334645293 354404446 /nfs/dbraw/zinc/40/44/46/354404446.db2.gz OFLJCCVLCQAXBX-LLVKDONJSA-N 1 2 227.254 1.996 20 0 BDADLO F[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000334648455 354439224 /nfs/dbraw/zinc/43/92/24/354439224.db2.gz YZLKPSYRJOKJJM-SECBINFHSA-N 1 2 217.675 1.580 20 0 BDADLO F[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000334648455 354439228 /nfs/dbraw/zinc/43/92/28/354439228.db2.gz YZLKPSYRJOKJJM-SECBINFHSA-N 1 2 217.675 1.580 20 0 BDADLO OC[C@]1(F)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000334673672 354416259 /nfs/dbraw/zinc/41/62/59/354416259.db2.gz AXTZBXKKHUEUNW-LBPRGKRZSA-N 1 2 235.262 1.474 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000334679503 354425213 /nfs/dbraw/zinc/42/52/13/354425213.db2.gz REGQHDULBNXXSA-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO Cc1ncsc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000334679503 354425217 /nfs/dbraw/zinc/42/52/17/354425217.db2.gz REGQHDULBNXXSA-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc[nH]c1 ZINC000334651902 354444989 /nfs/dbraw/zinc/44/49/89/354444989.db2.gz GTGFTNHUMNSLMB-UHFFFAOYSA-N 1 2 230.271 1.800 20 0 BDADLO CCN1CC[N@H+](Cc2cncc(C)c2)[C@H](C)C1=O ZINC000334695232 354486256 /nfs/dbraw/zinc/48/62/56/354486256.db2.gz PGMGXPOSMWTSHU-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cncc(C)c2)[C@H](C)C1=O ZINC000334695232 354486259 /nfs/dbraw/zinc/48/62/59/354486259.db2.gz PGMGXPOSMWTSHU-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC1(C)C[N@H+](Cc2cscn2)[C@@H]2COC[C@@H]21 ZINC000334745945 354469931 /nfs/dbraw/zinc/46/99/31/354469931.db2.gz LHNGMBGYMKZRTB-WDEREUQCSA-N 1 2 238.356 2.000 20 0 BDADLO CC1(C)C[N@@H+](Cc2cscn2)[C@@H]2COC[C@@H]21 ZINC000334745945 354469933 /nfs/dbraw/zinc/46/99/33/354469933.db2.gz LHNGMBGYMKZRTB-WDEREUQCSA-N 1 2 238.356 2.000 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000639192299 354473052 /nfs/dbraw/zinc/47/30/52/354473052.db2.gz RQYSNYKMODHTSO-LBPRGKRZSA-N 1 2 232.331 1.580 20 0 BDADLO Cn1ncnc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000639192299 354473053 /nfs/dbraw/zinc/47/30/53/354473053.db2.gz RQYSNYKMODHTSO-LBPRGKRZSA-N 1 2 232.331 1.580 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CC[C@@H](C)O2)cc[nH+]1 ZINC000334693163 354483330 /nfs/dbraw/zinc/48/33/30/354483330.db2.gz LRLABVLUVXBNEQ-PWSUYJOCSA-N 1 2 249.314 1.501 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2ccsc2Cl)C1 ZINC000334735111 354536151 /nfs/dbraw/zinc/53/61/51/354536151.db2.gz MDYYSIVOZRVPII-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000334735111 354536154 /nfs/dbraw/zinc/53/61/54/354536154.db2.gz MDYYSIVOZRVPII-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO CO[C@@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C12CCC2 ZINC000334717444 354516462 /nfs/dbraw/zinc/51/64/62/354516462.db2.gz WLZDVDFFRDLFCE-GHMZBOCLSA-N 1 2 249.314 1.406 20 0 BDADLO OCC1(c2ccccc2)CN(c2cccc[nH+]2)C1 ZINC000334721530 354521661 /nfs/dbraw/zinc/52/16/61/354521661.db2.gz MSTIIYRHXJEVOI-UHFFFAOYSA-N 1 2 240.306 1.832 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)CCCCO1 ZINC000334753316 354574807 /nfs/dbraw/zinc/57/48/07/354574807.db2.gz SHOBKELLEJEPBG-AWEZNQCLSA-N 1 2 248.326 1.964 20 0 BDADLO c1coc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000334756224 354578650 /nfs/dbraw/zinc/57/86/50/354578650.db2.gz RDOLZXRVHYQKKP-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000334756224 354578653 /nfs/dbraw/zinc/57/86/53/354578653.db2.gz RDOLZXRVHYQKKP-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](O)C(C)C ZINC000412740332 191309521 /nfs/dbraw/zinc/30/95/21/191309521.db2.gz DUWFYTNSHYVLBT-MWLCHTKSSA-N 1 2 239.319 1.243 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334796930 354550891 /nfs/dbraw/zinc/55/08/91/354550891.db2.gz SYHCKAIHPDAQJZ-VIFPVBQESA-N 1 2 224.308 1.234 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000334796930 354550894 /nfs/dbraw/zinc/55/08/94/354550894.db2.gz SYHCKAIHPDAQJZ-VIFPVBQESA-N 1 2 224.308 1.234 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000334796930 354550898 /nfs/dbraw/zinc/55/08/98/354550898.db2.gz SYHCKAIHPDAQJZ-VIFPVBQESA-N 1 2 224.308 1.234 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CCN2C(=O)N=NC2C1 ZINC000334796930 354550900 /nfs/dbraw/zinc/55/09/00/354550900.db2.gz SYHCKAIHPDAQJZ-VIFPVBQESA-N 1 2 224.308 1.234 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@](C)(F)C2)o1 ZINC000335095534 354634764 /nfs/dbraw/zinc/63/47/64/354634764.db2.gz YOHHGJCQWKOVKG-OIBJUYFYSA-N 1 2 213.256 1.873 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@](C)(F)C2)o1 ZINC000335095534 354634766 /nfs/dbraw/zinc/63/47/66/354634766.db2.gz YOHHGJCQWKOVKG-OIBJUYFYSA-N 1 2 213.256 1.873 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)cnn1 ZINC000345450894 354658386 /nfs/dbraw/zinc/65/83/86/354658386.db2.gz QMTMSQQBKSKLOZ-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@H](C)O2)c[nH+]1 ZINC000335083406 354616605 /nfs/dbraw/zinc/61/66/05/354616605.db2.gz IDAOKTUYKLUICH-CBAPKCEASA-N 1 2 223.276 1.015 20 0 BDADLO CC(C)(C(=O)N1CC(C2CCC2)C1)c1c[nH+]c[nH]1 ZINC000335102783 354686286 /nfs/dbraw/zinc/68/62/86/354686286.db2.gz APHOEMKCGULGCN-UHFFFAOYSA-N 1 2 247.342 1.946 20 0 BDADLO Cc1ncc([C@H](C)[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000639208701 354726929 /nfs/dbraw/zinc/72/69/29/354726929.db2.gz ASFLQKKITAYJKU-ONGXEEELSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@H](C)[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000639208701 354726933 /nfs/dbraw/zinc/72/69/33/354726933.db2.gz ASFLQKKITAYJKU-ONGXEEELSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1cc(N[C@@H]2C=C[C@@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000345521053 354671215 /nfs/dbraw/zinc/67/12/15/354671215.db2.gz LBGIBPSXQAKPPS-VXGBXAGGSA-N 1 2 247.342 1.679 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345729801 354746001 /nfs/dbraw/zinc/74/60/01/354746001.db2.gz FHSZTMTWMKRZMY-RKDXNWHRSA-N 1 2 234.290 1.392 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1=CCOCC1 ZINC000335127117 354771965 /nfs/dbraw/zinc/77/19/65/354771965.db2.gz FLONKYVVNXRRLS-UHFFFAOYSA-N 1 2 218.256 1.097 20 0 BDADLO CNC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000335132640 354779470 /nfs/dbraw/zinc/77/94/70/354779470.db2.gz RHPMPLQVJVTWED-SECBINFHSA-N 1 2 204.273 1.309 20 0 BDADLO CNC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000335132640 354779475 /nfs/dbraw/zinc/77/94/75/354779475.db2.gz RHPMPLQVJVTWED-SECBINFHSA-N 1 2 204.273 1.309 20 0 BDADLO C[C@H]1C[C@@H](C[N@@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132920 354779595 /nfs/dbraw/zinc/77/95/95/354779595.db2.gz MHPWTXRKSSTOKC-QWRGUYRKSA-N 1 2 249.301 1.769 20 0 BDADLO C[C@H]1C[C@@H](C[N@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132920 354779600 /nfs/dbraw/zinc/77/96/00/354779600.db2.gz MHPWTXRKSSTOKC-QWRGUYRKSA-N 1 2 249.301 1.769 20 0 BDADLO CC(C)(C)/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000074400118 354787752 /nfs/dbraw/zinc/78/77/52/354787752.db2.gz LPDWVQGQOHDXLG-SNAWJCMRSA-N 1 2 221.304 1.602 20 0 BDADLO CCC(=O)CCCN1CC[NH+](C2CC2)CC1 ZINC000232869503 363387662 /nfs/dbraw/zinc/38/76/62/363387662.db2.gz WZBNBXMJNDDUEG-UHFFFAOYSA-N 1 2 224.348 1.526 20 0 BDADLO CC(C)[N@H+]([C@H](c1nccn1C)C1CC1)C1COC1 ZINC000639215653 354820172 /nfs/dbraw/zinc/82/01/72/354820172.db2.gz FATOHUACBPQSEI-ZDUSSCGKSA-N 1 2 249.358 1.980 20 0 BDADLO CC(C)[N@@H+]([C@H](c1nccn1C)C1CC1)C1COC1 ZINC000639215653 354820175 /nfs/dbraw/zinc/82/01/75/354820175.db2.gz FATOHUACBPQSEI-ZDUSSCGKSA-N 1 2 249.358 1.980 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)[nH]n1 ZINC000335161035 354912114 /nfs/dbraw/zinc/91/21/14/354912114.db2.gz ASVHBLRDWQUWJC-RKDXNWHRSA-N 1 2 245.286 1.350 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1cc(=O)c(O)co1 ZINC000346419520 354921520 /nfs/dbraw/zinc/92/15/20/354921520.db2.gz GASWIKZHLPPTFG-UHFFFAOYSA-N 1 2 235.239 1.570 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1cc(=O)c(O)co1 ZINC000346419520 354921522 /nfs/dbraw/zinc/92/15/22/354921522.db2.gz GASWIKZHLPPTFG-UHFFFAOYSA-N 1 2 235.239 1.570 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000346440076 354937715 /nfs/dbraw/zinc/93/77/15/354937715.db2.gz WMLGGPCSJGLODE-CMPLNLGQSA-N 1 2 243.314 1.718 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000346440076 354937717 /nfs/dbraw/zinc/93/77/17/354937717.db2.gz WMLGGPCSJGLODE-CMPLNLGQSA-N 1 2 243.314 1.718 20 0 BDADLO CCn1c[nH+]cc1CN1CCCc2n[nH]cc21 ZINC000335174621 354941740 /nfs/dbraw/zinc/94/17/40/354941740.db2.gz LEEAGFUYDRYIJE-UHFFFAOYSA-N 1 2 231.303 1.579 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CCCCO2)cc[nH+]1 ZINC000335225487 355067243 /nfs/dbraw/zinc/06/72/43/355067243.db2.gz YSUYRRLYURKZBN-CYBMUJFWSA-N 1 2 234.299 1.710 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](F)C2)sn1 ZINC000639229391 355118391 /nfs/dbraw/zinc/11/83/91/355118391.db2.gz VIDSQOWVCZKIIF-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](F)C2)sn1 ZINC000639229391 355118395 /nfs/dbraw/zinc/11/83/95/355118395.db2.gz VIDSQOWVCZKIIF-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1nc(N2C[C@@H]3C[C@H]2CS3)cc[nH+]1 ZINC000335232024 355092426 /nfs/dbraw/zinc/09/24/26/355092426.db2.gz GCSZQKMSNPUZHO-IUCAKERBSA-N 1 2 207.302 1.479 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccncc1 ZINC000346705633 355096942 /nfs/dbraw/zinc/09/69/42/355096942.db2.gz MKVUBDQCEMEJCL-UHFFFAOYSA-N 1 2 229.239 1.738 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12CC[C@H](C)C2 ZINC000335246313 355160867 /nfs/dbraw/zinc/16/08/67/355160867.db2.gz JINJZUXNCLCNSC-JQWIXIFHSA-N 1 2 210.321 1.735 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12CC[C@H](C)C2 ZINC000335246313 355160870 /nfs/dbraw/zinc/16/08/70/355160870.db2.gz JINJZUXNCLCNSC-JQWIXIFHSA-N 1 2 210.321 1.735 20 0 BDADLO Cc1cc(N(C)Cc2cscn2)nc[nH+]1 ZINC000346951891 355164471 /nfs/dbraw/zinc/16/44/71/355164471.db2.gz UTPFWRJWVRCYNS-UHFFFAOYSA-N 1 2 220.301 1.878 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)C[C@H]1CCCCO1 ZINC000346847255 355136385 /nfs/dbraw/zinc/13/63/85/355136385.db2.gz OPXMKXCLZZHPLY-WDEREUQCSA-N 1 2 238.335 1.377 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000346847255 355136388 /nfs/dbraw/zinc/13/63/88/355136388.db2.gz OPXMKXCLZZHPLY-WDEREUQCSA-N 1 2 238.335 1.377 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000348574272 535279905 /nfs/dbraw/zinc/27/99/05/535279905.db2.gz GQKHOSCWCKYNRD-UHFFFAOYSA-N 1 2 249.358 1.738 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000348574272 535279911 /nfs/dbraw/zinc/27/99/11/535279911.db2.gz GQKHOSCWCKYNRD-UHFFFAOYSA-N 1 2 249.358 1.738 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@]2(C)C[C@H]2F)n1 ZINC000335250632 355170265 /nfs/dbraw/zinc/17/02/65/355170265.db2.gz QUVLIOKTARYQKJ-LDYMZIIASA-N 1 2 236.250 1.393 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1cccnn1 ZINC000412996584 191332970 /nfs/dbraw/zinc/33/29/70/191332970.db2.gz FSDOOLKHHSYTKF-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1cccnn1 ZINC000412996584 191332973 /nfs/dbraw/zinc/33/29/73/191332973.db2.gz FSDOOLKHHSYTKF-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO O[C@H]1CCCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413096293 191355678 /nfs/dbraw/zinc/35/56/78/191355678.db2.gz DXSFNXJATJQXOE-QWRGUYRKSA-N 1 2 248.330 1.766 20 0 BDADLO O[C@H]1CCCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413096293 191355681 /nfs/dbraw/zinc/35/56/81/191355681.db2.gz DXSFNXJATJQXOE-QWRGUYRKSA-N 1 2 248.330 1.766 20 0 BDADLO CCn1ncnc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000623215152 355222880 /nfs/dbraw/zinc/22/28/80/355222880.db2.gz NSOIOUVVXCYTME-JTQLQIEISA-N 1 2 246.318 1.188 20 0 BDADLO C[C@@H](CCO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413151756 191356359 /nfs/dbraw/zinc/35/63/59/191356359.db2.gz BDECJYBFGZYFOD-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H](CCO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413151756 191356361 /nfs/dbraw/zinc/35/63/61/191356361.db2.gz BDECJYBFGZYFOD-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO CC(C)(O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413117868 191356495 /nfs/dbraw/zinc/35/64/95/191356495.db2.gz JUBJZDWJWMDTMB-UHFFFAOYSA-N 1 2 222.292 1.234 20 0 BDADLO CC(C)(O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413117868 191356498 /nfs/dbraw/zinc/35/64/98/191356498.db2.gz JUBJZDWJWMDTMB-UHFFFAOYSA-N 1 2 222.292 1.234 20 0 BDADLO CC(C)c1nc(N2CCO[C@H](CF)C2)cc[nH+]1 ZINC000413482183 191388127 /nfs/dbraw/zinc/38/81/27/191388127.db2.gz YBXZWKAAUBKVIK-SNVBAGLBSA-N 1 2 239.294 1.775 20 0 BDADLO COCC[C@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000413493129 191388584 /nfs/dbraw/zinc/38/85/84/191388584.db2.gz NPAAKLPSRIXCLG-JTQLQIEISA-N 1 2 235.331 1.860 20 0 BDADLO COC[C@@H]1C[C@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000413493072 191388752 /nfs/dbraw/zinc/38/87/52/191388752.db2.gz LHOAPOLMPURHLE-UWVGGRQHSA-N 1 2 247.298 1.149 20 0 BDADLO Cc1[nH+]ccn1CCCSc1n[nH]c(=O)[nH]1 ZINC000347595573 355250082 /nfs/dbraw/zinc/25/00/82/355250082.db2.gz ALZYPSVHYIUQTD-UHFFFAOYSA-N 1 2 239.304 1.198 20 0 BDADLO C[C@@H](O)[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241828 191363292 /nfs/dbraw/zinc/36/32/92/191363292.db2.gz UBUGJSAWYXKMOP-ZJUUUORDSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H](O)[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241828 191363294 /nfs/dbraw/zinc/36/32/94/191363294.db2.gz UBUGJSAWYXKMOP-ZJUUUORDSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1ccc(CCNc2ncc(C)cn2)[nH+]c1 ZINC000413352108 191373314 /nfs/dbraw/zinc/37/33/14/191373314.db2.gz MNLASEAMLLBXFY-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO Cc1cc(NC[C@@H]2CCOC(C)(C)C2)nc[nH+]1 ZINC000413344284 191374232 /nfs/dbraw/zinc/37/42/32/191374232.db2.gz YHZFZODQCIRWHR-LLVKDONJSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1cc(N2CCC[C@@H](CO)[C@@H]2C)nc[nH+]1 ZINC000413587377 191397733 /nfs/dbraw/zinc/39/77/33/191397733.db2.gz FLPWPDMRMHPNNO-QWRGUYRKSA-N 1 2 221.304 1.382 20 0 BDADLO Cc1ccc(CCNc2cc(C)[nH+]cn2)nc1 ZINC000413359146 191375099 /nfs/dbraw/zinc/37/50/99/191375099.db2.gz XOKKKSNAUKIIIK-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CCc1cccc(F)c1C[NH+]1CC(C)(O)C1 ZINC000639253896 355292795 /nfs/dbraw/zinc/29/27/95/355292795.db2.gz UDPGORCTNRVQQL-UHFFFAOYSA-N 1 2 223.291 1.955 20 0 BDADLO CC1(O)C[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000639253914 355293065 /nfs/dbraw/zinc/29/30/65/355293065.db2.gz UTNWPTSDGVTXNL-UHFFFAOYSA-N 1 2 228.242 1.586 20 0 BDADLO Cn1ncnc1C[NH+]1CC(C(C)(C)C)C1 ZINC000639255686 355296605 /nfs/dbraw/zinc/29/66/05/355296605.db2.gz KJWNZKRQMKDEMC-UHFFFAOYSA-N 1 2 208.309 1.293 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000639255248 355298055 /nfs/dbraw/zinc/29/80/55/355298055.db2.gz QNZYJJHXRTXSLL-UHFFFAOYSA-N 1 2 242.269 1.833 20 0 BDADLO CCn1ccc(C[NH2+]Cc2snnc2C)n1 ZINC000639262897 355317427 /nfs/dbraw/zinc/31/74/27/355317427.db2.gz XRAWQIOCWBZYAK-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cccc(F)c2N)n1 ZINC000639262368 355319707 /nfs/dbraw/zinc/31/97/07/355319707.db2.gz RZTPLNOJXNFQNM-UHFFFAOYSA-N 1 2 248.305 1.914 20 0 BDADLO C[C@@H]1[C@@H](CO)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000413600390 191399529 /nfs/dbraw/zinc/39/95/29/191399529.db2.gz YQOIRYNCWUCLGB-ZYHUDNBSSA-N 1 2 247.342 1.951 20 0 BDADLO COc1cc(C[NH+]2CC(C(C)(C)O)C2)sn1 ZINC000639252950 355287779 /nfs/dbraw/zinc/28/77/79/355287779.db2.gz WTMGFYLSKSMSOD-UHFFFAOYSA-N 1 2 242.344 1.354 20 0 BDADLO CSCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335740410 355389877 /nfs/dbraw/zinc/38/98/77/355389877.db2.gz ZYZCKBVGPOAIOE-UHFFFAOYSA-N 1 2 221.285 1.636 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCOC2(CCC2)C1 ZINC000583510646 355347062 /nfs/dbraw/zinc/34/70/62/355347062.db2.gz YIZOJGDFFIPXER-UHFFFAOYSA-N 1 2 233.315 1.853 20 0 BDADLO CCc1nnc([C@@H](C)[NH+]2CCSCC2)o1 ZINC000335779153 355406373 /nfs/dbraw/zinc/40/63/73/355406373.db2.gz ORHMRUONDYEQHO-MRVPVSSYSA-N 1 2 227.333 1.742 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCOCC1 ZINC000335782884 355430709 /nfs/dbraw/zinc/43/07/09/355430709.db2.gz HPACMEHQAROJSY-NSHDSACASA-N 1 2 234.299 1.567 20 0 BDADLO Cc1ccc(Cc2nc(-c3ncc[nH]3)no2)c[nH+]1 ZINC000349763096 355436184 /nfs/dbraw/zinc/43/61/84/355436184.db2.gz HYFZTBRIYHVFJH-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352026037 134042852 /nfs/dbraw/zinc/04/28/52/134042852.db2.gz CWSVZYVFLGBIPZ-JGVFFNPUSA-N 1 2 245.277 1.248 20 0 BDADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCCC1 ZINC000335809601 355484275 /nfs/dbraw/zinc/48/42/75/355484275.db2.gz CUVFWZDNWRSDED-VIFPVBQESA-N 1 2 219.288 1.452 20 0 BDADLO CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC)C(=O)OC ZINC000349963561 355542881 /nfs/dbraw/zinc/54/28/81/355542881.db2.gz JQDPOQCECYGTSN-SECBINFHSA-N 1 2 245.319 1.117 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000335824448 355545808 /nfs/dbraw/zinc/54/58/08/355545808.db2.gz FGWGMEZBTYWTBB-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000335824448 355545810 /nfs/dbraw/zinc/54/58/10/355545810.db2.gz FGWGMEZBTYWTBB-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO C[C@@H]1[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1(F)F ZINC000335830403 355556727 /nfs/dbraw/zinc/55/67/27/355556727.db2.gz PEZLLTYHSXXENV-VXNVDRBHSA-N 1 2 241.241 1.127 20 0 BDADLO C[NH2+]Cc1noc([C@@H](C)Oc2ccccc2)n1 ZINC000349904243 355523264 /nfs/dbraw/zinc/52/32/64/355523264.db2.gz CHBFOLYCYSCXHL-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO Cc1scc(C[N@@H+]2CCn3nncc3C2)c1C ZINC000639295499 355581606 /nfs/dbraw/zinc/58/16/06/355581606.db2.gz JRKUDPSFCIVDKS-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cc1scc(C[N@H+]2CCn3nncc3C2)c1C ZINC000639295499 355581608 /nfs/dbraw/zinc/58/16/08/355581608.db2.gz JRKUDPSFCIVDKS-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cc1cc(NC(=O)[C@H]2[C@H](C)C2(F)F)cc[nH+]1 ZINC000335844421 355588396 /nfs/dbraw/zinc/58/83/96/355588396.db2.gz XRWLRXXSBHABFA-IONNQARKSA-N 1 2 226.226 1.652 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)sn1 ZINC000639305884 355670213 /nfs/dbraw/zinc/67/02/13/355670213.db2.gz FUCHIJXDWHAZKU-SCZZXKLOSA-N 1 2 249.343 1.839 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000639302285 355647065 /nfs/dbraw/zinc/64/70/65/355647065.db2.gz LBCZQNQVGAXVND-MWLCHTKSSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000639302285 355647066 /nfs/dbraw/zinc/64/70/66/355647066.db2.gz LBCZQNQVGAXVND-MWLCHTKSSA-N 1 2 241.335 1.871 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC[C@H]1F ZINC000582191946 355700939 /nfs/dbraw/zinc/70/09/39/355700939.db2.gz RKROSFINJGLQDB-RQJHMYQMSA-N 1 2 226.255 1.370 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC[C@H]1F ZINC000582191946 355700942 /nfs/dbraw/zinc/70/09/42/355700942.db2.gz RKROSFINJGLQDB-RQJHMYQMSA-N 1 2 226.255 1.370 20 0 BDADLO CCOC1CC(C[N@@H+]2Cc3cnn(C)c3C2)C1 ZINC000639321431 355722223 /nfs/dbraw/zinc/72/22/23/355722223.db2.gz UENJTDAXWZKJCD-UHFFFAOYSA-N 1 2 235.331 1.551 20 0 BDADLO CCOC1CC(C[N@H+]2Cc3cnn(C)c3C2)C1 ZINC000639321431 355722225 /nfs/dbraw/zinc/72/22/25/355722225.db2.gz UENJTDAXWZKJCD-UHFFFAOYSA-N 1 2 235.331 1.551 20 0 BDADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ncccn1 ZINC000330131237 181205349 /nfs/dbraw/zinc/20/53/49/181205349.db2.gz PNMZWFSICBBKNM-NHCYSSNCSA-N 1 2 246.314 1.612 20 0 BDADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ncccn1 ZINC000330131237 181205351 /nfs/dbraw/zinc/20/53/51/181205351.db2.gz PNMZWFSICBBKNM-NHCYSSNCSA-N 1 2 246.314 1.612 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639311966 355672785 /nfs/dbraw/zinc/67/27/85/355672785.db2.gz XMCCUQRAFIPGLJ-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@](C)(C[N@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639311966 355672787 /nfs/dbraw/zinc/67/27/87/355672787.db2.gz XMCCUQRAFIPGLJ-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1ncc2c(n1)CCN(c1cccc[nH+]1)C2 ZINC000613484151 363453831 /nfs/dbraw/zinc/45/38/31/363453831.db2.gz ARKHOCDBALNFST-UHFFFAOYSA-N 1 2 226.283 1.743 20 0 BDADLO COc1cc(C[NH2+]Cc2c(C)noc2C)on1 ZINC000639326003 355725080 /nfs/dbraw/zinc/72/50/80/355725080.db2.gz VHGYDCQVEDQTDW-UHFFFAOYSA-N 1 2 237.259 1.578 20 0 BDADLO c1[nH]nnc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000639341636 355783680 /nfs/dbraw/zinc/78/36/80/355783680.db2.gz MZEDOKGBWNAQDS-LLVKDONJSA-N 1 2 242.326 1.699 20 0 BDADLO c1n[nH]nc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000639341636 355783682 /nfs/dbraw/zinc/78/36/82/355783682.db2.gz MZEDOKGBWNAQDS-LLVKDONJSA-N 1 2 242.326 1.699 20 0 BDADLO CSCC(=O)Nc1cccc2[nH+]ccn21 ZINC000336023636 134056549 /nfs/dbraw/zinc/05/65/49/134056549.db2.gz WXDFXPDHYGAPSW-UHFFFAOYSA-N 1 2 221.285 1.636 20 0 BDADLO O=c1ccc(C[NH+]2CC3(C2)CCCO3)c[nH]1 ZINC000639347046 355793742 /nfs/dbraw/zinc/79/37/42/355793742.db2.gz LSYKXAXEBCIMPM-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)c(F)c1 ZINC000631179665 355841168 /nfs/dbraw/zinc/84/11/68/355841168.db2.gz FBZNWPPCLODEFO-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CN(C)c1c[nH+]cc(NCC[C@H]2CCOC2)c1 ZINC000639366146 355841692 /nfs/dbraw/zinc/84/16/92/355841692.db2.gz UJYMJRPGORMDHI-NSHDSACASA-N 1 2 235.331 1.986 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@@H]2CCCNC(=O)C2)c1 ZINC000639366381 355843219 /nfs/dbraw/zinc/84/32/19/355843219.db2.gz VHSAOTJWSFHZKT-SNVBAGLBSA-N 1 2 248.330 1.228 20 0 BDADLO COC(=O)[C@@](C)([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000536606813 355845287 /nfs/dbraw/zinc/84/52/87/355845287.db2.gz PUEXNNVXSMSLBP-AAEUAGOBSA-N 1 2 241.331 1.487 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000628363547 355848549 /nfs/dbraw/zinc/84/85/49/355848549.db2.gz NWZOSFIRNBYKFF-NEPJUHHUSA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000628363547 355848553 /nfs/dbraw/zinc/84/85/53/355848553.db2.gz NWZOSFIRNBYKFF-NEPJUHHUSA-N 1 2 220.320 1.863 20 0 BDADLO Cc1cc(N2CC[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000399209970 355857429 /nfs/dbraw/zinc/85/74/29/355857429.db2.gz XLOSCNPOGNXCSR-JTQLQIEISA-N 1 2 217.272 1.080 20 0 BDADLO Cc1cc(NC2CCOCC2)c(C#N)c[nH+]1 ZINC000399439115 355872468 /nfs/dbraw/zinc/87/24/68/355872468.db2.gz KGJRBEYJTBRHBX-UHFFFAOYSA-N 1 2 217.272 1.275 20 0 BDADLO C[C@@H]1CCCCN1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632755377 355830911 /nfs/dbraw/zinc/83/09/11/355830911.db2.gz CIIBXOBVBCZXNA-SNVBAGLBSA-N 1 2 236.319 1.836 20 0 BDADLO CCc1nc(C[NH2+]C2(C)COC2)cs1 ZINC000639382185 355926465 /nfs/dbraw/zinc/92/64/65/355926465.db2.gz OBUFBXPYKYJXHN-UHFFFAOYSA-N 1 2 212.318 1.584 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc(F)cn2)CCO1 ZINC000336042999 134062673 /nfs/dbraw/zinc/06/26/73/134062673.db2.gz ARXFADLLHZMIMA-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc(F)cn2)CCO1 ZINC000336042999 134062674 /nfs/dbraw/zinc/06/26/74/134062674.db2.gz ARXFADLLHZMIMA-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000351501910 356003482 /nfs/dbraw/zinc/00/34/82/356003482.db2.gz IXZOKAXGDWOTJA-HQJQHLMTSA-N 1 2 221.304 1.219 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC000583635516 355942507 /nfs/dbraw/zinc/94/25/07/355942507.db2.gz KWVOYWAGQLBGRN-GMTAPVOTSA-N 1 2 221.304 1.749 20 0 BDADLO COC1(c2noc(C[NH+](C)C)n2)CCCCC1 ZINC000351143581 355952944 /nfs/dbraw/zinc/95/29/44/355952944.db2.gz LUOOMZWIPCMLGI-UHFFFAOYSA-N 1 2 239.319 1.937 20 0 BDADLO C[C@@H]1C[N@H+](CCCO)C[C@H](C(F)(F)F)O1 ZINC000608749467 355971680 /nfs/dbraw/zinc/97/16/80/355971680.db2.gz JDEYOKAGIUKXKU-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](CCCO)C[C@H](C(F)(F)F)O1 ZINC000608749467 355971681 /nfs/dbraw/zinc/97/16/81/355971681.db2.gz JDEYOKAGIUKXKU-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CCOCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608748400 355971784 /nfs/dbraw/zinc/97/17/84/355971784.db2.gz FMQKBLOSYNLAFQ-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608748400 355971789 /nfs/dbraw/zinc/97/17/89/355971789.db2.gz FMQKBLOSYNLAFQ-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC000351622944 356031528 /nfs/dbraw/zinc/03/15/28/356031528.db2.gz UEPWONVSJVJELX-DVVUODLYSA-N 1 2 239.319 1.986 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC000351622948 356031822 /nfs/dbraw/zinc/03/18/22/356031822.db2.gz UEPWONVSJVJELX-INTQDDNPSA-N 1 2 239.319 1.986 20 0 BDADLO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC000351622949 356032107 /nfs/dbraw/zinc/03/21/07/356032107.db2.gz UEPWONVSJVJELX-JMJZKYOTSA-N 1 2 239.319 1.986 20 0 BDADLO Fc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351647484 356044201 /nfs/dbraw/zinc/04/42/01/356044201.db2.gz RPPNTALFNDFNOY-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO Fc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351647484 356044205 /nfs/dbraw/zinc/04/42/05/356044205.db2.gz RPPNTALFNDFNOY-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO CCc1cc(NC[C@@H](CC)CCO)nc[nH+]1 ZINC000087370931 491086778 /nfs/dbraw/zinc/08/67/78/491086778.db2.gz NAFFAGAZMUKNDT-JTQLQIEISA-N 1 2 223.320 1.860 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000351544325 356013028 /nfs/dbraw/zinc/01/30/28/356013028.db2.gz MEUJBRJNEUEUQC-WYGGZMRJSA-N 1 2 235.331 1.761 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000351545336 356013242 /nfs/dbraw/zinc/01/32/42/356013242.db2.gz OZPHBRKBNZDTBJ-VSQXVHSFSA-N 1 2 247.342 1.823 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)no1 ZINC000351583283 356020493 /nfs/dbraw/zinc/02/04/93/356020493.db2.gz SXUCRGPHNRLTJX-KHQFGBGNSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)no1 ZINC000351583283 356020497 /nfs/dbraw/zinc/02/04/97/356020497.db2.gz SXUCRGPHNRLTJX-KHQFGBGNSA-N 1 2 225.292 1.142 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257209 356022764 /nfs/dbraw/zinc/02/27/64/356022764.db2.gz HHEWHSWPKSUKIO-GYSYKLTISA-N 1 2 247.342 1.750 20 0 BDADLO O=C(CCCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257787 356028848 /nfs/dbraw/zinc/02/88/48/356028848.db2.gz UYWSUGDXZNOYFJ-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)C[C@@H]1O ZINC000351712835 356066912 /nfs/dbraw/zinc/06/69/12/356066912.db2.gz RRPUCWHYQPVSOF-SFGNSQDASA-N 1 2 225.292 1.142 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2noc(C)n2)C[C@@H]1O ZINC000351712835 356066914 /nfs/dbraw/zinc/06/69/14/356066914.db2.gz RRPUCWHYQPVSOF-SFGNSQDASA-N 1 2 225.292 1.142 20 0 BDADLO CC[C@H](C)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259202 356081187 /nfs/dbraw/zinc/08/11/87/356081187.db2.gz UNQRLKZHEHMDLW-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CCC(C)(CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262228 356162230 /nfs/dbraw/zinc/16/22/30/356162230.db2.gz UAFXOUNECGPUNT-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2C(C)C)on1 ZINC000335919061 356166330 /nfs/dbraw/zinc/16/63/30/356166330.db2.gz ITIUVUABINHEMV-CYBMUJFWSA-N 1 2 237.347 1.755 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)on1 ZINC000335919061 356166332 /nfs/dbraw/zinc/16/63/32/356166332.db2.gz ITIUVUABINHEMV-CYBMUJFWSA-N 1 2 237.347 1.755 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=CCCCCC1 ZINC000623261178 356144343 /nfs/dbraw/zinc/14/43/43/356144343.db2.gz CDKBPVOBEAFARL-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000639439853 356216691 /nfs/dbraw/zinc/21/66/91/356216691.db2.gz LXNKLYOYHDNCMB-UHFFFAOYSA-N 1 2 243.310 1.893 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000639439853 356216693 /nfs/dbraw/zinc/21/66/93/356216693.db2.gz LXNKLYOYHDNCMB-UHFFFAOYSA-N 1 2 243.310 1.893 20 0 BDADLO O=C(CCc1ccoc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265019 356230965 /nfs/dbraw/zinc/23/09/65/356230965.db2.gz ZAILXNUDWCUNLV-LLVKDONJSA-N 1 2 245.282 1.150 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000617641648 356253991 /nfs/dbraw/zinc/25/39/91/356253991.db2.gz RCRWDCRHJFFHBH-RYUDHWBXSA-N 1 2 249.358 1.998 20 0 BDADLO CC(C)c1n[nH]c(=NCCCC[NH3+])s1 ZINC000420245319 192185428 /nfs/dbraw/zinc/18/54/28/192185428.db2.gz ZHECHCUMVTZHND-UHFFFAOYSA-N 1 2 214.338 1.234 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000617637933 356238880 /nfs/dbraw/zinc/23/88/80/356238880.db2.gz DEDYEUALDFWJGS-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000617637933 356238881 /nfs/dbraw/zinc/23/88/81/356238881.db2.gz DEDYEUALDFWJGS-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)CC1CC1 ZINC000639460114 356248288 /nfs/dbraw/zinc/24/82/88/356248288.db2.gz FMIMDXVDRRMFJV-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)CC1CC1 ZINC000639460114 356248289 /nfs/dbraw/zinc/24/82/89/356248289.db2.gz FMIMDXVDRRMFJV-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639495892 356322352 /nfs/dbraw/zinc/32/23/52/356322352.db2.gz CHLOGQYHSCEBOQ-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639495892 356322354 /nfs/dbraw/zinc/32/23/54/356322354.db2.gz CHLOGQYHSCEBOQ-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000623265449 356297758 /nfs/dbraw/zinc/29/77/58/356297758.db2.gz GLFDDTQSCAWWPG-NXEZZACHSA-N 1 2 235.331 1.606 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265822 356299079 /nfs/dbraw/zinc/29/90/79/356299079.db2.gz LLVCPYOTJWTTSS-ZJUUUORDSA-N 1 2 221.304 1.216 20 0 BDADLO CC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000639538252 356390747 /nfs/dbraw/zinc/39/07/47/356390747.db2.gz KGRQDFOAKCSJQB-CYBMUJFWSA-N 1 2 219.284 1.167 20 0 BDADLO CC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000639538252 356390750 /nfs/dbraw/zinc/39/07/50/356390750.db2.gz KGRQDFOAKCSJQB-CYBMUJFWSA-N 1 2 219.284 1.167 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000042720702 356416284 /nfs/dbraw/zinc/41/62/84/356416284.db2.gz DOIXOOKOFGHXGS-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)C(=O)NC(C)C)cs1 ZINC000041010986 358505431 /nfs/dbraw/zinc/50/54/31/358505431.db2.gz FDZNYWXYIMOVDL-MRVPVSSYSA-N 1 2 241.360 1.454 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609680770 356421974 /nfs/dbraw/zinc/42/19/74/356421974.db2.gz FAZWKWRWTKKEKZ-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609680770 356421976 /nfs/dbraw/zinc/42/19/76/356421976.db2.gz FAZWKWRWTKKEKZ-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)CCC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000609710658 356425734 /nfs/dbraw/zinc/42/57/34/356425734.db2.gz DZQTYFMGCFHNMP-UHFFFAOYSA-N 1 2 249.314 1.096 20 0 BDADLO COC(=O)CCC[N@H+]1CCc2nc(C)ncc2C1 ZINC000609710658 356425737 /nfs/dbraw/zinc/42/57/37/356425737.db2.gz DZQTYFMGCFHNMP-UHFFFAOYSA-N 1 2 249.314 1.096 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278816 356427196 /nfs/dbraw/zinc/42/71/96/356427196.db2.gz DWSSUFBUJPLFMO-GHMZBOCLSA-N 1 2 231.299 1.280 20 0 BDADLO CC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000639543840 356402612 /nfs/dbraw/zinc/40/26/12/356402612.db2.gz AVDRQEJFAIJDDH-NSHDSACASA-N 1 2 221.304 1.318 20 0 BDADLO CC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000639543840 356402617 /nfs/dbraw/zinc/40/26/17/356402617.db2.gz AVDRQEJFAIJDDH-NSHDSACASA-N 1 2 221.304 1.318 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000639546296 356408199 /nfs/dbraw/zinc/40/81/99/356408199.db2.gz FNJPBRUEUBDMQK-LLVKDONJSA-N 1 2 248.317 1.832 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000639546296 356408202 /nfs/dbraw/zinc/40/82/02/356408202.db2.gz FNJPBRUEUBDMQK-LLVKDONJSA-N 1 2 248.317 1.832 20 0 BDADLO Cc1nc(N2CC[C@@H](O)CC23CCC3)cc[nH+]1 ZINC000420629678 192251176 /nfs/dbraw/zinc/25/11/76/192251176.db2.gz CVQKROAJVOFNRK-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO CC[C@H]1C[N@H+](CC(C)=O)CCN1CC(F)F ZINC000639555734 356458416 /nfs/dbraw/zinc/45/84/16/356458416.db2.gz JDORGOURPYJXIO-JTQLQIEISA-N 1 2 234.290 1.237 20 0 BDADLO CC[C@H]1C[N@@H+](CC(C)=O)CCN1CC(F)F ZINC000639555734 356458417 /nfs/dbraw/zinc/45/84/17/356458417.db2.gz JDORGOURPYJXIO-JTQLQIEISA-N 1 2 234.290 1.237 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1CNCc1[nH]ncc1C ZINC000352838858 356463326 /nfs/dbraw/zinc/46/33/26/356463326.db2.gz GTDMJGVWHWJSAP-LBPRGKRZSA-N 1 2 236.363 1.682 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000352230037 134110841 /nfs/dbraw/zinc/11/08/41/134110841.db2.gz HHSWMZWBMBZPPA-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000352230037 134110842 /nfs/dbraw/zinc/11/08/42/134110842.db2.gz HHSWMZWBMBZPPA-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cc(N)nc(SCc2csnn2)[nH+]1 ZINC000389388556 356490042 /nfs/dbraw/zinc/49/00/42/356490042.db2.gz ULMGGNWXSBBIRE-UHFFFAOYSA-N 1 2 239.329 1.341 20 0 BDADLO Cc1nc(NC[C@H]2CCc3cccnc32)cc[nH+]1 ZINC000623284445 356474578 /nfs/dbraw/zinc/47/45/78/356474578.db2.gz KLFKWJDSWOFKJQ-GFCCVEGCSA-N 1 2 240.310 1.744 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639588682 356511705 /nfs/dbraw/zinc/51/17/05/356511705.db2.gz SYXBAQYOZKXPJA-UWVGGRQHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccns1 ZINC000639588682 356511708 /nfs/dbraw/zinc/51/17/08/356511708.db2.gz SYXBAQYOZKXPJA-UWVGGRQHSA-N 1 2 242.344 1.115 20 0 BDADLO CCc1ccc([C@H](COC)[NH2+]CC(C)=O)o1 ZINC000639577142 356498344 /nfs/dbraw/zinc/49/83/44/356498344.db2.gz CSGZOXSTQIUZRI-NSHDSACASA-N 1 2 225.288 1.708 20 0 BDADLO CC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000639575537 356502738 /nfs/dbraw/zinc/50/27/38/356502738.db2.gz JNKMRYDQZGMLLF-SNVBAGLBSA-N 1 2 229.226 1.177 20 0 BDADLO O[C@]12CCCC[C@H]1C[N@H+](CC(F)F)CC2 ZINC000088023404 491093617 /nfs/dbraw/zinc/09/36/17/491093617.db2.gz LHMVQLZUPNBAFL-ONGXEEELSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@]12CCCC[C@H]1C[N@@H+](CC(F)F)CC2 ZINC000088023404 491093619 /nfs/dbraw/zinc/09/36/19/491093619.db2.gz LHMVQLZUPNBAFL-ONGXEEELSA-N 1 2 219.275 1.879 20 0 BDADLO CC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000639583230 356506204 /nfs/dbraw/zinc/50/62/04/356506204.db2.gz JNTITOZLDIALFT-NSHDSACASA-N 1 2 244.298 1.507 20 0 BDADLO CC(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000639584708 356506970 /nfs/dbraw/zinc/50/69/70/356506970.db2.gz ZMLNNLVTYZFGIW-HNNXBMFYSA-N 1 2 247.338 1.909 20 0 BDADLO CC(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000639584708 356506973 /nfs/dbraw/zinc/50/69/73/356506973.db2.gz ZMLNNLVTYZFGIW-HNNXBMFYSA-N 1 2 247.338 1.909 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)C1CCOCC1 ZINC000639601280 356520401 /nfs/dbraw/zinc/52/04/01/356520401.db2.gz DQPBMPGJTSOPAG-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)C1CCOCC1 ZINC000639601280 356520404 /nfs/dbraw/zinc/52/04/04/356520404.db2.gz DQPBMPGJTSOPAG-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950980 192278209 /nfs/dbraw/zinc/27/82/09/192278209.db2.gz XTJBCFAUWMOQSM-VHSXEESVSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950980 192278211 /nfs/dbraw/zinc/27/82/11/192278211.db2.gz XTJBCFAUWMOQSM-VHSXEESVSA-N 1 2 219.300 1.206 20 0 BDADLO CCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420957081 192280500 /nfs/dbraw/zinc/28/05/00/192280500.db2.gz ZBVFXLPCFPEREB-PHIMTYICSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420957081 192280503 /nfs/dbraw/zinc/28/05/03/192280503.db2.gz ZBVFXLPCFPEREB-PHIMTYICSA-N 1 2 228.336 1.012 20 0 BDADLO Fc1cncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000336177515 134117592 /nfs/dbraw/zinc/11/75/92/134117592.db2.gz WVROTWIJNUWUJU-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cncc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000336177515 134117593 /nfs/dbraw/zinc/11/75/93/134117593.db2.gz WVROTWIJNUWUJU-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO CSC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000352237768 134118325 /nfs/dbraw/zinc/11/83/25/134118325.db2.gz OHDCGGHZKBDYJO-VIFPVBQESA-N 1 2 239.344 1.283 20 0 BDADLO CC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000639624126 356543755 /nfs/dbraw/zinc/54/37/55/356543755.db2.gz PDEYLMCOZUVYMM-AVGNSLFASA-N 1 2 241.331 1.234 20 0 BDADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000639624126 356543760 /nfs/dbraw/zinc/54/37/60/356543760.db2.gz PDEYLMCOZUVYMM-AVGNSLFASA-N 1 2 241.331 1.234 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420941385 192288319 /nfs/dbraw/zinc/28/83/19/192288319.db2.gz FONMLZUJELYJGV-QMMMGPOBSA-N 1 2 239.237 1.824 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420941385 192288322 /nfs/dbraw/zinc/28/83/22/192288322.db2.gz FONMLZUJELYJGV-QMMMGPOBSA-N 1 2 239.237 1.824 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000639612961 356537372 /nfs/dbraw/zinc/53/73/72/356537372.db2.gz NRUYTEUYMNVXMG-DTORHVGOSA-N 1 2 223.263 1.377 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000639612961 356537374 /nfs/dbraw/zinc/53/73/74/356537374.db2.gz NRUYTEUYMNVXMG-DTORHVGOSA-N 1 2 223.263 1.377 20 0 BDADLO COc1c(C)cc(C[N@@H+]2CCNC(=O)C2)cc1C ZINC000179593123 366272997 /nfs/dbraw/zinc/27/29/97/366272997.db2.gz QEIOHFYRCRAEHK-UHFFFAOYSA-N 1 2 248.326 1.244 20 0 BDADLO COc1c(C)cc(C[N@H+]2CCNC(=O)C2)cc1C ZINC000179593123 366273005 /nfs/dbraw/zinc/27/30/05/366273005.db2.gz QEIOHFYRCRAEHK-UHFFFAOYSA-N 1 2 248.326 1.244 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984242 192289860 /nfs/dbraw/zinc/28/98/60/192289860.db2.gz DYHMTJRVOATWTP-VIFPVBQESA-N 1 2 214.284 1.246 20 0 BDADLO C[C@H](F)CC[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984242 192289862 /nfs/dbraw/zinc/28/98/62/192289862.db2.gz DYHMTJRVOATWTP-VIFPVBQESA-N 1 2 214.284 1.246 20 0 BDADLO CC1=CCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000639623077 356541920 /nfs/dbraw/zinc/54/19/20/356541920.db2.gz IFAXYBCUQRHSHC-UHFFFAOYSA-N 1 2 231.299 1.672 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000639623077 356541924 /nfs/dbraw/zinc/54/19/24/356541924.db2.gz IFAXYBCUQRHSHC-UHFFFAOYSA-N 1 2 231.299 1.672 20 0 BDADLO CN1CC[N@H+](Cc2ccns2)CC1(C)C ZINC000639623414 356542403 /nfs/dbraw/zinc/54/24/03/356542403.db2.gz OQJWFXIDPUMSPW-UHFFFAOYSA-N 1 2 225.361 1.669 20 0 BDADLO CN1CC[N@@H+](Cc2ccns2)CC1(C)C ZINC000639623414 356542407 /nfs/dbraw/zinc/54/24/07/356542407.db2.gz OQJWFXIDPUMSPW-UHFFFAOYSA-N 1 2 225.361 1.669 20 0 BDADLO Fc1cncc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421019081 192304771 /nfs/dbraw/zinc/30/47/71/192304771.db2.gz LZQOISPOYWIZJI-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cncc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421019081 192304773 /nfs/dbraw/zinc/30/47/73/192304773.db2.gz LZQOISPOYWIZJI-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296813 356547646 /nfs/dbraw/zinc/54/76/46/356547646.db2.gz QOWZLCNHVLZEHY-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@]23CCOC3)s1 ZINC000421013675 192301849 /nfs/dbraw/zinc/30/18/49/192301849.db2.gz GKRAQJODVQATRF-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@]23CCOC3)s1 ZINC000421013675 192301850 /nfs/dbraw/zinc/30/18/50/192301850.db2.gz GKRAQJODVQATRF-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@]23CCOC3)c(C)n1 ZINC000421024158 192305744 /nfs/dbraw/zinc/30/57/44/192305744.db2.gz ROUXHIQVPKHYSI-CYBMUJFWSA-N 1 2 249.314 1.158 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@]23CCOC3)c(C)n1 ZINC000421024158 192305745 /nfs/dbraw/zinc/30/57/45/192305745.db2.gz ROUXHIQVPKHYSI-CYBMUJFWSA-N 1 2 249.314 1.158 20 0 BDADLO CC[N@H+](CC(C)=O)CC(=O)N1CCCCCC1 ZINC000639644633 356557396 /nfs/dbraw/zinc/55/73/96/356557396.db2.gz XFOCROHFHHNQBO-UHFFFAOYSA-N 1 2 240.347 1.300 20 0 BDADLO CC[N@@H+](CC(C)=O)CC(=O)N1CCCCCC1 ZINC000639644633 356557398 /nfs/dbraw/zinc/55/73/98/356557398.db2.gz XFOCROHFHHNQBO-UHFFFAOYSA-N 1 2 240.347 1.300 20 0 BDADLO CC1(C)CO[C@@H](C[N@@H+]2CCn3cncc3C2)C1 ZINC000639648632 356560432 /nfs/dbraw/zinc/56/04/32/356560432.db2.gz KXJLQFCIZVTYEW-GFCCVEGCSA-N 1 2 235.331 1.514 20 0 BDADLO CC1(C)CO[C@@H](C[N@H+]2CCn3cncc3C2)C1 ZINC000639648632 356560434 /nfs/dbraw/zinc/56/04/34/356560434.db2.gz KXJLQFCIZVTYEW-GFCCVEGCSA-N 1 2 235.331 1.514 20 0 BDADLO CC1(C)CO[C@@H](CN2CCn3c[nH+]cc3C2)C1 ZINC000639648632 356560439 /nfs/dbraw/zinc/56/04/39/356560439.db2.gz KXJLQFCIZVTYEW-GFCCVEGCSA-N 1 2 235.331 1.514 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623300304 356561833 /nfs/dbraw/zinc/56/18/33/356561833.db2.gz OCYDCLOVOJQHNY-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000336207837 134132675 /nfs/dbraw/zinc/13/26/75/134132675.db2.gz ZLCKKTUCAKYADJ-JOYOIKCWSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000336207837 134132676 /nfs/dbraw/zinc/13/26/76/134132676.db2.gz ZLCKKTUCAKYADJ-JOYOIKCWSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639656144 356572068 /nfs/dbraw/zinc/57/20/68/356572068.db2.gz PAUMJCRBAUVXCW-DTWKUNHWSA-N 1 2 221.304 1.862 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639656144 356572070 /nfs/dbraw/zinc/57/20/70/356572070.db2.gz PAUMJCRBAUVXCW-DTWKUNHWSA-N 1 2 221.304 1.862 20 0 BDADLO COC(=O)[C@H]([NH2+]CCCC1(O)CCC1)C1CC1 ZINC000421192108 192314261 /nfs/dbraw/zinc/31/42/61/192314261.db2.gz ADWVJJLWCQJTGJ-LLVKDONJSA-N 1 2 241.331 1.223 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000639674789 356591327 /nfs/dbraw/zinc/59/13/27/356591327.db2.gz AGIPQNIFRBSJDU-JTQLQIEISA-N 1 2 244.289 1.960 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000639674789 356591329 /nfs/dbraw/zinc/59/13/29/356591329.db2.gz AGIPQNIFRBSJDU-JTQLQIEISA-N 1 2 244.289 1.960 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@](CO)(COC)C1 ZINC000639667141 356573816 /nfs/dbraw/zinc/57/38/16/356573816.db2.gz RAAZOHYOMBBOOE-JTQLQIEISA-N 1 2 237.290 1.363 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@](CO)(COC)C1 ZINC000639667141 356573821 /nfs/dbraw/zinc/57/38/21/356573821.db2.gz RAAZOHYOMBBOOE-JTQLQIEISA-N 1 2 237.290 1.363 20 0 BDADLO O=C1[C@H]([N@@H+]2CC[C@H](F)C2)CCN1C1CCC1 ZINC000639665133 356579543 /nfs/dbraw/zinc/57/95/43/356579543.db2.gz XGFHMVZKMYYJOG-GXSJLCMTSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@H]([N@H+]2CC[C@H](F)C2)CCN1C1CCC1 ZINC000639665133 356579544 /nfs/dbraw/zinc/57/95/44/356579544.db2.gz XGFHMVZKMYYJOG-GXSJLCMTSA-N 1 2 226.295 1.184 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302302 356582539 /nfs/dbraw/zinc/58/25/39/356582539.db2.gz CWKOCODKFLZLBA-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CC(C)(C)CO1 ZINC000639675277 356584353 /nfs/dbraw/zinc/58/43/53/356584353.db2.gz DKUPUBIJBGOZDD-QMMMGPOBSA-N 1 2 241.291 1.022 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CC(C)(C)CO1 ZINC000639675277 356584358 /nfs/dbraw/zinc/58/43/58/356584358.db2.gz DKUPUBIJBGOZDD-QMMMGPOBSA-N 1 2 241.291 1.022 20 0 BDADLO CC(C)=C(C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000630091847 363513369 /nfs/dbraw/zinc/51/33/69/363513369.db2.gz VILQTADQFZSHAU-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000630091847 363513372 /nfs/dbraw/zinc/51/33/72/363513372.db2.gz VILQTADQFZSHAU-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC12CCC2 ZINC000623307870 356613906 /nfs/dbraw/zinc/61/39/06/356613906.db2.gz PTVYIPGQAYBOID-JQWIXIFHSA-N 1 2 245.326 1.504 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623305243 356599237 /nfs/dbraw/zinc/59/92/37/356599237.db2.gz OFBITSVOWOJJLC-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000450182711 202090589 /nfs/dbraw/zinc/09/05/89/202090589.db2.gz GSPPEOFJNBLRII-GRYCIOLGSA-N 1 2 247.342 1.923 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@H](C)S(C)(=O)=O)o1 ZINC000450236691 202104085 /nfs/dbraw/zinc/10/40/85/202104085.db2.gz DXWBPGUTCSAEFP-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@H](C)S(C)(=O)=O)o1 ZINC000450236691 202104086 /nfs/dbraw/zinc/10/40/86/202104086.db2.gz DXWBPGUTCSAEFP-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO CC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000450249230 202108735 /nfs/dbraw/zinc/10/87/35/202108735.db2.gz WSSOWEAHEDBQKO-ZDUSSCGKSA-N 1 2 246.310 1.339 20 0 BDADLO CC(=O)c1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000450249230 202108738 /nfs/dbraw/zinc/10/87/38/202108738.db2.gz WSSOWEAHEDBQKO-ZDUSSCGKSA-N 1 2 246.310 1.339 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C(C)C)s1 ZINC000450262747 202113709 /nfs/dbraw/zinc/11/37/09/202113709.db2.gz OEVPJNHZLXBNBG-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C(C)C)s1 ZINC000450262747 202113713 /nfs/dbraw/zinc/11/37/13/202113713.db2.gz OEVPJNHZLXBNBG-UHFFFAOYSA-N 1 2 243.376 1.866 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000630095193 363546431 /nfs/dbraw/zinc/54/64/31/363546431.db2.gz VUGNPRSLKUAIOQ-KOLCDFICSA-N 1 2 208.261 1.163 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)[C@H](C)O1 ZINC000630094379 363536750 /nfs/dbraw/zinc/53/67/50/363536750.db2.gz GXGIPCMNEIKNEY-WCABBAIRSA-N 1 2 222.288 1.552 20 0 BDADLO c1csc([C@H]2CCC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000450336256 202132074 /nfs/dbraw/zinc/13/20/74/202132074.db2.gz PIVAOXDEOXRLCG-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@H]2CCC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000450336256 202132077 /nfs/dbraw/zinc/13/20/77/202132077.db2.gz PIVAOXDEOXRLCG-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000450336256 202132081 /nfs/dbraw/zinc/13/20/81/202132081.db2.gz PIVAOXDEOXRLCG-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@H]2CCC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000450336256 202132083 /nfs/dbraw/zinc/13/20/83/202132083.db2.gz PIVAOXDEOXRLCG-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000450336256 202132087 /nfs/dbraw/zinc/13/20/87/202132087.db2.gz PIVAOXDEOXRLCG-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO c1csc([C@H]2CCC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000450336256 202132090 /nfs/dbraw/zinc/13/20/90/202132090.db2.gz PIVAOXDEOXRLCG-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO C[C@H]1C[C@H](c2noc(C[NH+](C)C)n2)CCO1 ZINC000350649759 366316227 /nfs/dbraw/zinc/31/62/27/366316227.db2.gz HQTRWNLTHBWXJF-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2CO)s1 ZINC000450356852 202143412 /nfs/dbraw/zinc/14/34/12/202143412.db2.gz XPSGWENCAJCGAZ-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H]2CO)s1 ZINC000450356852 202143414 /nfs/dbraw/zinc/14/34/14/202143414.db2.gz XPSGWENCAJCGAZ-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO CN(CC[N@H+](C)Cc1cnn[nH]1)c1ccccc1 ZINC000450385833 202147765 /nfs/dbraw/zinc/14/77/65/202147765.db2.gz DSMARQQYFDPICK-UHFFFAOYSA-N 1 2 245.330 1.373 20 0 BDADLO CN(CC[N@@H+](C)Cc1cnn[nH]1)c1ccccc1 ZINC000450385833 202147768 /nfs/dbraw/zinc/14/77/68/202147768.db2.gz DSMARQQYFDPICK-UHFFFAOYSA-N 1 2 245.330 1.373 20 0 BDADLO CN(CC[N@H+](C)Cc1c[nH]nn1)c1ccccc1 ZINC000450385833 202147770 /nfs/dbraw/zinc/14/77/70/202147770.db2.gz DSMARQQYFDPICK-UHFFFAOYSA-N 1 2 245.330 1.373 20 0 BDADLO CN(CC[N@@H+](C)Cc1c[nH]nn1)c1ccccc1 ZINC000450385833 202147772 /nfs/dbraw/zinc/14/77/72/202147772.db2.gz DSMARQQYFDPICK-UHFFFAOYSA-N 1 2 245.330 1.373 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)C(C)(F)F ZINC000389468781 356682096 /nfs/dbraw/zinc/68/20/96/356682096.db2.gz NUOPUIGIFRRXBZ-MRVPVSSYSA-N 1 2 242.269 1.919 20 0 BDADLO CC[N@H+](CC(C)(C)O)[C@H](C)c1csnn1 ZINC000450403375 202156393 /nfs/dbraw/zinc/15/63/93/202156393.db2.gz CYPIPIGWQAFYSX-MRVPVSSYSA-N 1 2 229.349 1.692 20 0 BDADLO CC[N@@H+](CC(C)(C)O)[C@H](C)c1csnn1 ZINC000450403375 202156395 /nfs/dbraw/zinc/15/63/95/202156395.db2.gz CYPIPIGWQAFYSX-MRVPVSSYSA-N 1 2 229.349 1.692 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)nn1C ZINC000639776694 356722118 /nfs/dbraw/zinc/72/21/18/356722118.db2.gz OVURWUDPWNXLTC-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)nn1C ZINC000639776694 356722122 /nfs/dbraw/zinc/72/21/22/356722122.db2.gz OVURWUDPWNXLTC-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO CN(C)c1nc(COCc2[nH]cc[nH+]2)ns1 ZINC000180043361 366363252 /nfs/dbraw/zinc/36/32/52/366363252.db2.gz OMVJVQHSTOGBGB-UHFFFAOYSA-N 1 2 239.304 1.044 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639780499 356729318 /nfs/dbraw/zinc/72/93/18/356729318.db2.gz IYPLXHRXJOSCLG-JTQLQIEISA-N 1 2 247.302 1.692 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639780499 356729321 /nfs/dbraw/zinc/72/93/21/356729321.db2.gz IYPLXHRXJOSCLG-JTQLQIEISA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nc(C(=O)Nc2cc[nH+]cc2O)c(C)o1 ZINC000354520309 356740196 /nfs/dbraw/zinc/74/01/96/356740196.db2.gz JRBNGUGMPURGKA-UHFFFAOYSA-N 1 2 247.254 1.320 20 0 BDADLO CC(C)N1C(=O)C[N@H+](CC2(F)CC2)CC1(C)C ZINC000578188473 366373350 /nfs/dbraw/zinc/37/33/50/366373350.db2.gz DIIHSNBRFRUCBI-UHFFFAOYSA-N 1 2 242.338 1.820 20 0 BDADLO CC(C)N1C(=O)C[N@@H+](CC2(F)CC2)CC1(C)C ZINC000578188473 366373354 /nfs/dbraw/zinc/37/33/54/366373354.db2.gz DIIHSNBRFRUCBI-UHFFFAOYSA-N 1 2 242.338 1.820 20 0 BDADLO Cn1cc(C2=CCC[N@H+](Cc3ncc[nH]3)C2)cn1 ZINC000639795320 356752075 /nfs/dbraw/zinc/75/20/75/356752075.db2.gz GXRRGDQLPCTVOT-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1cc(C2=CCC[N@@H+](Cc3ncc[nH]3)C2)cn1 ZINC000639795320 356752078 /nfs/dbraw/zinc/75/20/78/356752078.db2.gz GXRRGDQLPCTVOT-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO CCc1cnc(C[N@H+](C)C2CC(O)C2)s1 ZINC000355361470 356756790 /nfs/dbraw/zinc/75/67/90/356756790.db2.gz ABBYYCMXOPZCHU-UHFFFAOYSA-N 1 2 226.345 1.661 20 0 BDADLO CCc1cnc(C[N@@H+](C)C2CC(O)C2)s1 ZINC000355361470 356756793 /nfs/dbraw/zinc/75/67/93/356756793.db2.gz ABBYYCMXOPZCHU-UHFFFAOYSA-N 1 2 226.345 1.661 20 0 BDADLO CC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000212348929 356760040 /nfs/dbraw/zinc/76/00/40/356760040.db2.gz WNGPPEGNBSYETJ-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO CCc1cnc(CNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC000356249385 356791840 /nfs/dbraw/zinc/79/18/40/356791840.db2.gz FJZRDQORPDVQEY-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000639839426 356834143 /nfs/dbraw/zinc/83/41/43/356834143.db2.gz REUOZNAHOGUDQS-QWRGUYRKSA-N 1 2 229.320 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000639839426 356834146 /nfs/dbraw/zinc/83/41/46/356834146.db2.gz REUOZNAHOGUDQS-QWRGUYRKSA-N 1 2 229.320 1.249 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@@H]2CC(C)(C)CO2)nn1 ZINC000639829575 356814172 /nfs/dbraw/zinc/81/41/72/356814172.db2.gz VZGQFVZDHKTRBF-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@@H]2CC(C)(C)CO2)nn1 ZINC000639829575 356814175 /nfs/dbraw/zinc/81/41/75/356814175.db2.gz VZGQFVZDHKTRBF-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@@H](O)CCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000357187226 356816983 /nfs/dbraw/zinc/81/69/83/356816983.db2.gz YFNCQYOFAQYBIC-SECBINFHSA-N 1 2 234.303 1.791 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000639832209 356817379 /nfs/dbraw/zinc/81/73/79/356817379.db2.gz DIORZBHVUDQIOB-JQWIXIFHSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000639832209 356817381 /nfs/dbraw/zinc/81/73/81/356817381.db2.gz DIORZBHVUDQIOB-JQWIXIFHSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@@H+](C2CC(OC(C)C)C2)CCO1 ZINC000639838353 356829293 /nfs/dbraw/zinc/82/92/93/356829293.db2.gz PMTCNLQEKIRWIP-MCIGGMRASA-N 1 2 229.320 1.247 20 0 BDADLO CO[C@@H]1C[N@H+](C2CC(OC(C)C)C2)CCO1 ZINC000639838353 356829295 /nfs/dbraw/zinc/82/92/95/356829295.db2.gz PMTCNLQEKIRWIP-MCIGGMRASA-N 1 2 229.320 1.247 20 0 BDADLO Nc1nc(NC[C@H]2CCCO2)[nH+]c2ccccc12 ZINC000041146504 356858583 /nfs/dbraw/zinc/85/85/83/356858583.db2.gz LGJNAMXLZOHAIP-SECBINFHSA-N 1 2 244.298 1.803 20 0 BDADLO CC[N@@H+](Cc1csnn1)C[C@H](C)OC ZINC000361009551 356915059 /nfs/dbraw/zinc/91/50/59/356915059.db2.gz LLOCSLNJWOATGN-QMMMGPOBSA-N 1 2 215.322 1.395 20 0 BDADLO CC[N@H+](Cc1csnn1)C[C@H](C)OC ZINC000361009551 356915060 /nfs/dbraw/zinc/91/50/60/356915060.db2.gz LLOCSLNJWOATGN-QMMMGPOBSA-N 1 2 215.322 1.395 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000361245688 356922207 /nfs/dbraw/zinc/92/22/07/356922207.db2.gz QGLGVXSJKXRRMA-MKBNYLNASA-N 1 2 247.404 1.236 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000361245688 356922210 /nfs/dbraw/zinc/92/22/10/356922210.db2.gz QGLGVXSJKXRRMA-MKBNYLNASA-N 1 2 247.404 1.236 20 0 BDADLO CC[N@@H+](Cc1ncnn1CCF)C[C@H](C)OC ZINC000361571134 356933456 /nfs/dbraw/zinc/93/34/56/356933456.db2.gz ZQWSXTYHMVNJTI-JTQLQIEISA-N 1 2 244.314 1.104 20 0 BDADLO CC[N@H+](Cc1ncnn1CCF)C[C@H](C)OC ZINC000361571134 356933457 /nfs/dbraw/zinc/93/34/57/356933457.db2.gz ZQWSXTYHMVNJTI-JTQLQIEISA-N 1 2 244.314 1.104 20 0 BDADLO CC[N@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361625953 356934569 /nfs/dbraw/zinc/93/45/69/356934569.db2.gz HCJOZEOFVUDQIL-UHFFFAOYSA-N 1 2 223.324 1.412 20 0 BDADLO CC[N@@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361625953 356934573 /nfs/dbraw/zinc/93/45/73/356934573.db2.gz HCJOZEOFVUDQIL-UHFFFAOYSA-N 1 2 223.324 1.412 20 0 BDADLO CC[N@@H+](Cc1ncccn1)C[C@@H]1CCCO1 ZINC000361711181 356936337 /nfs/dbraw/zinc/93/63/37/356936337.db2.gz HCCNELAKZGZSCI-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO CC[N@H+](Cc1ncccn1)C[C@@H]1CCCO1 ZINC000361711181 356936342 /nfs/dbraw/zinc/93/63/42/356936342.db2.gz HCCNELAKZGZSCI-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000355268954 538738307 /nfs/dbraw/zinc/73/83/07/538738307.db2.gz QBBHBGPNBHCLRD-GHMZBOCLSA-N 1 2 219.288 1.082 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000359657028 356892656 /nfs/dbraw/zinc/89/26/56/356892656.db2.gz ZAPMBDQXNJIDSK-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000359657028 356892659 /nfs/dbraw/zinc/89/26/59/356892659.db2.gz ZAPMBDQXNJIDSK-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H]3CCCC[C@H]32)[nH]1 ZINC000368057861 356965066 /nfs/dbraw/zinc/96/50/66/356965066.db2.gz DKGIOGBBCVOQFZ-NXEZZACHSA-N 1 2 220.320 1.742 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H]3CCCC[C@H]32)[nH]1 ZINC000368057861 356965070 /nfs/dbraw/zinc/96/50/70/356965070.db2.gz DKGIOGBBCVOQFZ-NXEZZACHSA-N 1 2 220.320 1.742 20 0 BDADLO c1c(C[N@@H+]2C[C@@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450577449 202203448 /nfs/dbraw/zinc/20/34/48/202203448.db2.gz DOPGSAYKTZFJKC-AAEUAGOBSA-N 1 2 232.331 1.672 20 0 BDADLO c1c(C[N@H+]2C[C@@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450577449 202203449 /nfs/dbraw/zinc/20/34/49/202203449.db2.gz DOPGSAYKTZFJKC-AAEUAGOBSA-N 1 2 232.331 1.672 20 0 BDADLO Cc1cc(NCC(F)(F)C(F)F)c(C#N)c[nH+]1 ZINC000399555992 356976739 /nfs/dbraw/zinc/97/67/39/356976739.db2.gz CUELKNPOZMRROF-UHFFFAOYSA-N 1 2 247.195 1.996 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ncc[nH]1 ZINC000353610910 538753341 /nfs/dbraw/zinc/75/33/41/538753341.db2.gz BHTSRFPNSUVTTH-VIFPVBQESA-N 1 2 246.318 1.117 20 0 BDADLO C[C@H](NCc1ccnc(N(C)C)n1)c1[nH]cc[nH+]1 ZINC000353610910 538753345 /nfs/dbraw/zinc/75/33/45/538753345.db2.gz BHTSRFPNSUVTTH-VIFPVBQESA-N 1 2 246.318 1.117 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000582273192 356990575 /nfs/dbraw/zinc/99/05/75/356990575.db2.gz CVPAVXYIFVRSKE-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2ccncc2)[nH+]1 ZINC000354406414 538776774 /nfs/dbraw/zinc/77/67/74/538776774.db2.gz AFFJRFKFNJDKFY-UHFFFAOYSA-N 1 2 239.282 1.695 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1cccc(C)n1 ZINC000399784132 357046957 /nfs/dbraw/zinc/04/69/57/357046957.db2.gz OFTVUGWQOCMSMC-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1cccc(C)n1 ZINC000399784132 357046960 /nfs/dbraw/zinc/04/69/60/357046960.db2.gz OFTVUGWQOCMSMC-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO CC1CCN(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000160548196 357050412 /nfs/dbraw/zinc/05/04/12/357050412.db2.gz GGBGXOUTKDGIBC-UHFFFAOYSA-N 1 2 248.330 1.551 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000626468813 357005565 /nfs/dbraw/zinc/00/55/65/357005565.db2.gz XSINBHMLRMQUAY-XYPYZODXSA-N 1 2 235.287 1.111 20 0 BDADLO CO[C@H]1C[C@@H](CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000626468947 357006526 /nfs/dbraw/zinc/00/65/26/357006526.db2.gz DJPKPYWFEUMVOV-PHIMTYICSA-N 1 2 249.314 1.358 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCC(F)(F)F)C1CC1 ZINC000390535808 357101640 /nfs/dbraw/zinc/10/16/40/357101640.db2.gz KBQPFQWDCNYERD-SECBINFHSA-N 1 2 239.237 1.870 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000355273663 538790233 /nfs/dbraw/zinc/79/02/33/538790233.db2.gz WTMWVVPPVYNNTK-GXSJLCMTSA-N 1 2 239.319 1.097 20 0 BDADLO CC[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000354662111 538779180 /nfs/dbraw/zinc/77/91/80/538779180.db2.gz AOWFYCZVPRFKLJ-VIFPVBQESA-N 1 2 209.293 1.599 20 0 BDADLO CC[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000354662111 538779185 /nfs/dbraw/zinc/77/91/85/538779185.db2.gz AOWFYCZVPRFKLJ-VIFPVBQESA-N 1 2 209.293 1.599 20 0 BDADLO CCc1cnc(CNC(=O)CCc2c[nH+]c[nH]2)o1 ZINC000356256779 538808763 /nfs/dbraw/zinc/80/87/63/538808763.db2.gz TWKFMBZZUNNFTM-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCc1cnc(CNC(=O)CCc2c[nH]c[nH+]2)o1 ZINC000356256779 538808767 /nfs/dbraw/zinc/80/87/67/538808767.db2.gz TWKFMBZZUNNFTM-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000639883076 357146517 /nfs/dbraw/zinc/14/65/17/357146517.db2.gz BMKDIJTUVUUPBD-ZJUUUORDSA-N 1 2 221.291 1.982 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000639883076 357146521 /nfs/dbraw/zinc/14/65/21/357146521.db2.gz BMKDIJTUVUUPBD-ZJUUUORDSA-N 1 2 221.291 1.982 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)no1 ZINC000303992368 357155280 /nfs/dbraw/zinc/15/52/80/357155280.db2.gz MTOQVIMLWBGHBM-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)no1 ZINC000303992368 357155281 /nfs/dbraw/zinc/15/52/81/357155281.db2.gz MTOQVIMLWBGHBM-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cn[nH]c2)C1 ZINC000304221994 357160440 /nfs/dbraw/zinc/16/04/40/357160440.db2.gz HWRLLPGSXXNZHA-CMPLNLGQSA-N 1 2 222.336 1.545 20 0 BDADLO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2cn[nH]c2)C1 ZINC000304221994 357160444 /nfs/dbraw/zinc/16/04/44/357160444.db2.gz HWRLLPGSXXNZHA-CMPLNLGQSA-N 1 2 222.336 1.545 20 0 BDADLO OCc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)o1 ZINC000628419385 357238135 /nfs/dbraw/zinc/23/81/35/357238135.db2.gz WFEXLYPYPZRHMM-UHFFFAOYSA-N 1 2 245.278 1.993 20 0 BDADLO OCc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)o1 ZINC000628419385 357238141 /nfs/dbraw/zinc/23/81/41/357238141.db2.gz WFEXLYPYPZRHMM-UHFFFAOYSA-N 1 2 245.278 1.993 20 0 BDADLO Cc1noc(C)c1C[NH+]1CC2(C1)CCCO2 ZINC000628426721 357254666 /nfs/dbraw/zinc/25/46/66/357254666.db2.gz ITNTWSXXGPODQW-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO c1cc2c(c(C[NH+]3CC4(C3)CCCO4)c1)OCO2 ZINC000628426871 357257898 /nfs/dbraw/zinc/25/78/98/357257898.db2.gz RIYSEFPGIWHIGR-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCCO3)ccn1 ZINC000628427002 357258370 /nfs/dbraw/zinc/25/83/70/357258370.db2.gz ZKFFDABSRMADES-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO Cc1cc(NC(=O)N2CCC23COC3)c(C)c[nH+]1 ZINC000639899072 357276998 /nfs/dbraw/zinc/27/69/98/357276998.db2.gz CLLFVQYWVMXXFC-UHFFFAOYSA-N 1 2 247.298 1.127 20 0 BDADLO NC(=O)CC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000582472340 357314414 /nfs/dbraw/zinc/31/44/14/357314414.db2.gz HFZQGEMYNWOOTN-UHFFFAOYSA-N 1 2 240.253 1.272 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCCS1)C(=O)OC ZINC000168388469 134197506 /nfs/dbraw/zinc/19/75/06/134197506.db2.gz HFOARKQAEUQYJA-IUCAKERBSA-N 1 2 217.334 1.423 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000582785316 357392460 /nfs/dbraw/zinc/39/24/60/357392460.db2.gz ARIVAJGGYZNUND-UTUOFQBUSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613270417 357402588 /nfs/dbraw/zinc/40/25/88/357402588.db2.gz MEJRNZGDWCVHKU-GWCFXTLKSA-N 1 2 247.342 1.772 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613270417 357402590 /nfs/dbraw/zinc/40/25/90/357402590.db2.gz MEJRNZGDWCVHKU-GWCFXTLKSA-N 1 2 247.342 1.772 20 0 BDADLO CO[C@H](C)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000582854570 357420245 /nfs/dbraw/zinc/42/02/45/357420245.db2.gz RIVHNPGCUIERPZ-SNVBAGLBSA-N 1 2 234.299 1.476 20 0 BDADLO CO[C@H](C)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000582854570 357420250 /nfs/dbraw/zinc/42/02/50/357420250.db2.gz RIVHNPGCUIERPZ-SNVBAGLBSA-N 1 2 234.299 1.476 20 0 BDADLO CC[C@](C)(CNc1nc(C)[nH+]cc1C)OC ZINC000582915554 357435229 /nfs/dbraw/zinc/43/52/29/357435229.db2.gz HADJLWFKBZJMGB-GFCCVEGCSA-N 1 2 223.320 1.742 20 0 BDADLO Cn1cc[nH+]c1CSCCC(C)(C)O ZINC000582916537 357436474 /nfs/dbraw/zinc/43/64/74/357436474.db2.gz ZVPUDCNOKFTAOD-UHFFFAOYSA-N 1 2 214.334 1.814 20 0 BDADLO Cc1cc(N)nc(SCCC2(O)CCC2)[nH+]1 ZINC000396869925 357485471 /nfs/dbraw/zinc/48/54/71/357485471.db2.gz NOVIRBSSVMKSGW-UHFFFAOYSA-N 1 2 239.344 1.595 20 0 BDADLO Cc1cccn2cc(CNC(=O)C(C)(C)O)[nH+]c12 ZINC000188446359 357554710 /nfs/dbraw/zinc/55/47/10/357554710.db2.gz HOJLYJUJRGYWMM-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000188732673 357565845 /nfs/dbraw/zinc/56/58/45/357565845.db2.gz VSKDWMBTZKVVQI-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO COc1ccc[nH+]c1NCC1=CCOCC1 ZINC000397612551 357627207 /nfs/dbraw/zinc/62/72/07/357627207.db2.gz CUNBRAAGMWMERH-UHFFFAOYSA-N 1 2 220.272 1.849 20 0 BDADLO Cc1ccc(CCNc2cc(C)[nH+]cn2)o1 ZINC000393766146 357590025 /nfs/dbraw/zinc/59/00/25/357590025.db2.gz PWVAPNKMERQZMB-UHFFFAOYSA-N 1 2 217.272 1.763 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000232588827 357672146 /nfs/dbraw/zinc/67/21/46/357672146.db2.gz UMMHZIJRLWHOJZ-CMPLNLGQSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497783 357709789 /nfs/dbraw/zinc/70/97/89/357709789.db2.gz VRGQAMGBTFWXEI-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497783 357709794 /nfs/dbraw/zinc/70/97/94/357709794.db2.gz VRGQAMGBTFWXEI-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OC ZINC000190578793 357715994 /nfs/dbraw/zinc/71/59/94/357715994.db2.gz CNWCHMOVCREJPY-GVXVVHGQSA-N 1 2 243.347 1.875 20 0 BDADLO CCN1CCC[N@H+](Cc2cnoc2C)CC1=O ZINC000190217952 357694191 /nfs/dbraw/zinc/69/41/91/357694191.db2.gz JTAQLRGNUNRBGW-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCN1CCC[N@@H+](Cc2cnoc2C)CC1=O ZINC000190217952 357694194 /nfs/dbraw/zinc/69/41/94/357694194.db2.gz JTAQLRGNUNRBGW-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000233698533 357732520 /nfs/dbraw/zinc/73/25/20/357732520.db2.gz CVINYQXZJQRTSY-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190968602 357735894 /nfs/dbraw/zinc/73/58/94/357735894.db2.gz QMVQZXKQWOVQSH-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190968602 357735898 /nfs/dbraw/zinc/73/58/98/357735898.db2.gz QMVQZXKQWOVQSH-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC[C@H]([NH2+][C@H](CC)C(=O)OCC)C(C)C ZINC000233791774 357749303 /nfs/dbraw/zinc/74/93/03/357749303.db2.gz BUHCSDGYZXHEDL-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@](C)(OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000234093314 357777460 /nfs/dbraw/zinc/77/74/60/357777460.db2.gz ISWYKWZACVLWHX-NSHDSACASA-N 1 2 225.292 1.183 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192145153 357824106 /nfs/dbraw/zinc/82/41/06/357824106.db2.gz STUDOOZPQDZCNI-SECBINFHSA-N 1 2 239.323 1.037 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000192145153 357824109 /nfs/dbraw/zinc/82/41/09/357824109.db2.gz STUDOOZPQDZCNI-SECBINFHSA-N 1 2 239.323 1.037 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@H](C)O ZINC000191966044 357807227 /nfs/dbraw/zinc/80/72/27/357807227.db2.gz QSRSMDHLGVYVJT-ONGXEEELSA-N 1 2 243.347 1.467 20 0 BDADLO c1cn(C2CC[NH+](Cc3ncccn3)CC2)cn1 ZINC000192061960 357815496 /nfs/dbraw/zinc/81/54/96/357815496.db2.gz VQFBNLUMMXKWFK-UHFFFAOYSA-N 1 2 243.314 1.510 20 0 BDADLO c1cn(C2CCN(Cc3ncccn3)CC2)c[nH+]1 ZINC000192061960 357815497 /nfs/dbraw/zinc/81/54/97/357815497.db2.gz VQFBNLUMMXKWFK-UHFFFAOYSA-N 1 2 243.314 1.510 20 0 BDADLO C[C@@H]1C[N@H+](CCC(C)(C)C)CCS(=O)(=O)C1 ZINC000192067547 357816768 /nfs/dbraw/zinc/81/67/68/357816768.db2.gz VKUQGQTYMXJSHI-LLVKDONJSA-N 1 2 247.404 1.789 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(C)(C)C)CCS(=O)(=O)C1 ZINC000192067547 357816773 /nfs/dbraw/zinc/81/67/73/357816773.db2.gz VKUQGQTYMXJSHI-LLVKDONJSA-N 1 2 247.404 1.789 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000192465708 357835859 /nfs/dbraw/zinc/83/58/59/357835859.db2.gz VRSOMDRTQALLJB-NSHDSACASA-N 1 2 221.300 1.916 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000192465708 357835862 /nfs/dbraw/zinc/83/58/62/357835862.db2.gz VRSOMDRTQALLJB-NSHDSACASA-N 1 2 221.300 1.916 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000064431662 357845244 /nfs/dbraw/zinc/84/52/44/357845244.db2.gz UQRAJOJUDFVFAM-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000064431662 357845247 /nfs/dbraw/zinc/84/52/47/357845247.db2.gz UQRAJOJUDFVFAM-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000193065235 357865797 /nfs/dbraw/zinc/86/57/97/357865797.db2.gz XWLQRCBLBANANL-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000193065235 357865798 /nfs/dbraw/zinc/86/57/98/357865798.db2.gz XWLQRCBLBANANL-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO COC[C@@H](C)C[NH2+][C@@H](C)C(=O)OC(C)C ZINC000583303278 357888955 /nfs/dbraw/zinc/88/89/55/357888955.db2.gz ZUVBXDDOFDYENU-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C(C)(F)F ZINC000583762710 357938728 /nfs/dbraw/zinc/93/87/28/357938728.db2.gz DOPPINPGJFCUQW-HTQZYQBOSA-N 1 2 245.273 1.748 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C(C)(F)F ZINC000583762710 357938729 /nfs/dbraw/zinc/93/87/29/357938729.db2.gz DOPPINPGJFCUQW-HTQZYQBOSA-N 1 2 245.273 1.748 20 0 BDADLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000322616420 259475172 /nfs/dbraw/zinc/47/51/72/259475172.db2.gz NUKPHCPVKXZVHV-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000583851098 357972757 /nfs/dbraw/zinc/97/27/57/357972757.db2.gz IZKAAIBGKCEBTG-NXEZZACHSA-N 1 2 232.287 1.856 20 0 BDADLO c1cn(CCc2nc(C[C@@H]3CCCO3)no2)c[nH+]1 ZINC000349831570 357984496 /nfs/dbraw/zinc/98/44/96/357984496.db2.gz YEUDGPYELBMLHW-JTQLQIEISA-N 1 2 248.286 1.230 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC[C@H]1CCOC1 ZINC000639971009 358017746 /nfs/dbraw/zinc/01/77/46/358017746.db2.gz AUVGYLIRNQRKDU-LBPRGKRZSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC[C@H]1CCOC1 ZINC000639971009 358017749 /nfs/dbraw/zinc/01/77/49/358017749.db2.gz AUVGYLIRNQRKDU-LBPRGKRZSA-N 1 2 237.347 1.967 20 0 BDADLO Oc1cccc(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000628457765 358016891 /nfs/dbraw/zinc/01/68/91/358016891.db2.gz MCAKZDUPLONUDL-CYBMUJFWSA-N 1 2 239.290 1.953 20 0 BDADLO Oc1cccc(C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000628457765 358016893 /nfs/dbraw/zinc/01/68/93/358016893.db2.gz MCAKZDUPLONUDL-CYBMUJFWSA-N 1 2 239.290 1.953 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC(C)(C)O ZINC000639969719 358021586 /nfs/dbraw/zinc/02/15/86/358021586.db2.gz COACGHFMEYQWME-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC(C)(C)O ZINC000639969719 358021589 /nfs/dbraw/zinc/02/15/89/358021589.db2.gz COACGHFMEYQWME-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO Cn1cnnc1C[NH+]1CCC(CCF)CC1 ZINC000639989255 358027757 /nfs/dbraw/zinc/02/77/57/358027757.db2.gz AJGPASPYAJZAJJ-UHFFFAOYSA-N 1 2 226.299 1.387 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOC1CCC1 ZINC000639971716 358031955 /nfs/dbraw/zinc/03/19/55/358031955.db2.gz VVKRKOHDUGECAC-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOC1CCC1 ZINC000639971716 358031958 /nfs/dbraw/zinc/03/19/58/358031958.db2.gz VVKRKOHDUGECAC-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCO[C@H](C)C1 ZINC000583864659 358044967 /nfs/dbraw/zinc/04/49/67/358044967.db2.gz XNEUOWLGXHTVDQ-SNVBAGLBSA-N 1 2 221.304 1.709 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC12CC2 ZINC000583868397 358067056 /nfs/dbraw/zinc/06/70/56/358067056.db2.gz SKPMIKBXBXAPRH-JTQLQIEISA-N 1 2 217.272 1.486 20 0 BDADLO CC(C)(C)OCCC[NH+]1CCS(=O)CC1 ZINC000610681522 358076325 /nfs/dbraw/zinc/07/63/25/358076325.db2.gz JYENNEWXMATRPX-UHFFFAOYSA-N 1 2 233.377 1.256 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000628458235 358093735 /nfs/dbraw/zinc/09/37/35/358093735.db2.gz IOVDOLIYXRCYNU-CYBMUJFWSA-N 1 2 239.290 1.953 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000628458235 358093736 /nfs/dbraw/zinc/09/37/36/358093736.db2.gz IOVDOLIYXRCYNU-CYBMUJFWSA-N 1 2 239.290 1.953 20 0 BDADLO CC[C@]1(O)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000640032111 358125180 /nfs/dbraw/zinc/12/51/80/358125180.db2.gz YULMDFCEXAGLKK-NSHDSACASA-N 1 2 225.292 1.115 20 0 BDADLO CC[C@]1(O)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000640032111 358125181 /nfs/dbraw/zinc/12/51/81/358125181.db2.gz YULMDFCEXAGLKK-NSHDSACASA-N 1 2 225.292 1.115 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@](O)(CC)C2)[nH]1 ZINC000640035500 358126486 /nfs/dbraw/zinc/12/64/86/358126486.db2.gz KGKVOAQMJVNZGC-LBPRGKRZSA-N 1 2 238.335 1.104 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@](O)(CC)C2)[nH]1 ZINC000640035500 358126492 /nfs/dbraw/zinc/12/64/92/358126492.db2.gz KGKVOAQMJVNZGC-LBPRGKRZSA-N 1 2 238.335 1.104 20 0 BDADLO CCC[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584628120 358116076 /nfs/dbraw/zinc/11/60/76/358116076.db2.gz NMIHBLQSAMVPRR-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C)(F)CC1 ZINC000640071476 358161919 /nfs/dbraw/zinc/16/19/19/358161919.db2.gz OJQPXXDDJJMRHE-QMMMGPOBSA-N 1 2 227.287 1.095 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(-c2cc(=O)[nH]cn2)no1 ZINC000351378616 358183862 /nfs/dbraw/zinc/18/38/62/358183862.db2.gz WDRWMZGIDPHPSX-UHFFFAOYSA-N 1 2 249.274 1.072 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(-c2cc(=O)[nH]cn2)no1 ZINC000351378616 358183864 /nfs/dbraw/zinc/18/38/64/358183864.db2.gz WDRWMZGIDPHPSX-UHFFFAOYSA-N 1 2 249.274 1.072 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC([C@@H](C)O)C1 ZINC000640128111 358206076 /nfs/dbraw/zinc/20/60/76/358206076.db2.gz JDZQPCALYKECSZ-SNVBAGLBSA-N 1 2 249.314 1.543 20 0 BDADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCSC ZINC000610826659 358207231 /nfs/dbraw/zinc/20/72/31/358207231.db2.gz LSLDSLSRBRDGFU-SNVBAGLBSA-N 1 2 249.376 1.248 20 0 BDADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCSC ZINC000610826659 358207234 /nfs/dbraw/zinc/20/72/34/358207234.db2.gz LSLDSLSRBRDGFU-SNVBAGLBSA-N 1 2 249.376 1.248 20 0 BDADLO CCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000450645071 202222750 /nfs/dbraw/zinc/22/27/50/202222750.db2.gz LGROWNMZXSNZDK-UHFFFAOYSA-N 1 2 221.308 1.601 20 0 BDADLO CCC1(Nc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000450645071 202222752 /nfs/dbraw/zinc/22/27/52/202222752.db2.gz LGROWNMZXSNZDK-UHFFFAOYSA-N 1 2 221.308 1.601 20 0 BDADLO CNC(=O)c1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000172147981 134262107 /nfs/dbraw/zinc/26/21/07/134262107.db2.gz UFLPJQAPJBEXRL-NSHDSACASA-N 1 2 248.326 1.267 20 0 BDADLO CNC(=O)c1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000172147981 134262108 /nfs/dbraw/zinc/26/21/08/134262108.db2.gz UFLPJQAPJBEXRL-NSHDSACASA-N 1 2 248.326 1.267 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171966210 134263295 /nfs/dbraw/zinc/26/32/95/134263295.db2.gz NJAADZYAXXQBQJ-VXGBXAGGSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171973528 134263365 /nfs/dbraw/zinc/26/33/65/134263365.db2.gz FZQHXKNSMOPQNR-LBPRGKRZSA-N 1 2 242.363 1.069 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC000610892646 358228271 /nfs/dbraw/zinc/22/82/71/358228271.db2.gz JNMGNZZPKNSGHW-UHFFFAOYSA-N 1 2 245.225 1.763 20 0 BDADLO CC/C=C\CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000450687884 202235304 /nfs/dbraw/zinc/23/53/04/202235304.db2.gz BRLALURXPDFWBM-FPLPWBNLSA-N 1 2 249.362 1.861 20 0 BDADLO CC/C=C\CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000450687884 202235308 /nfs/dbraw/zinc/23/53/08/202235308.db2.gz BRLALURXPDFWBM-FPLPWBNLSA-N 1 2 249.362 1.861 20 0 BDADLO CCC1(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000547482707 325361384 /nfs/dbraw/zinc/36/13/84/325361384.db2.gz FOLDWGIKKBRRNW-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cc[nH]n2)s1 ZINC000041015667 358241214 /nfs/dbraw/zinc/24/12/14/358241214.db2.gz GXQAQVWJHFHRDK-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000450708985 202238530 /nfs/dbraw/zinc/23/85/30/202238530.db2.gz SESYOCPSWYOHFR-XQQFMLRXSA-N 1 2 247.342 1.915 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000450712987 202242667 /nfs/dbraw/zinc/24/26/67/202242667.db2.gz UFDOGZIKHHXMKX-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CCC(=O)CCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000450712987 202242671 /nfs/dbraw/zinc/24/26/71/202242671.db2.gz UFDOGZIKHHXMKX-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000450726722 202247068 /nfs/dbraw/zinc/24/70/68/202247068.db2.gz WDWGUVXVFKVWOJ-GARJFASQSA-N 1 2 231.336 1.325 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccs2)n1 ZINC000218962311 134268838 /nfs/dbraw/zinc/26/88/38/134268838.db2.gz YHTUVZNGKXNOMN-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000450737405 202251837 /nfs/dbraw/zinc/25/18/37/202251837.db2.gz JBYRGBDWLYQUMV-SRVKXCTJSA-N 1 2 245.363 1.571 20 0 BDADLO Cc1ocnc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000351034792 366396067 /nfs/dbraw/zinc/39/60/67/366396067.db2.gz BDPNQUQYZQYNSP-UHFFFAOYSA-N 1 2 245.242 1.472 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363513 358322933 /nfs/dbraw/zinc/32/29/33/358322933.db2.gz CGSSXQUXMFUGLR-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041363513 358322934 /nfs/dbraw/zinc/32/29/34/358322934.db2.gz CGSSXQUXMFUGLR-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CC[C@H](O)C2)s1 ZINC000134873537 325380541 /nfs/dbraw/zinc/38/05/41/325380541.db2.gz SBHUAIVJFJETMG-VIFPVBQESA-N 1 2 226.345 1.833 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000134873537 325380542 /nfs/dbraw/zinc/38/05/42/325380542.db2.gz SBHUAIVJFJETMG-VIFPVBQESA-N 1 2 226.345 1.833 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000228857665 358386467 /nfs/dbraw/zinc/38/64/67/358386467.db2.gz GBZAYRQXIHZRSI-LPEHRKFASA-N 1 2 229.320 1.077 20 0 BDADLO CCC[C@](C)(O)CNc1nc[nH+]c(N)c1OC ZINC000230727223 358410907 /nfs/dbraw/zinc/41/09/07/358410907.db2.gz CPSWHXIEGVVRPC-NSHDSACASA-N 1 2 240.307 1.030 20 0 BDADLO CCC[C@](C)(O)CNc1[nH+]cnc(N)c1OC ZINC000230727223 358410909 /nfs/dbraw/zinc/41/09/09/358410909.db2.gz CPSWHXIEGVVRPC-NSHDSACASA-N 1 2 240.307 1.030 20 0 BDADLO c1cn(CCCCNc2cnccn2)c[nH+]1 ZINC000045108302 358401584 /nfs/dbraw/zinc/40/15/84/358401584.db2.gz VPSYDQBPECPVPQ-UHFFFAOYSA-N 1 2 217.276 1.565 20 0 BDADLO CCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000047872585 358604884 /nfs/dbraw/zinc/60/48/84/358604884.db2.gz OPESHKZORRINPE-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CC[N@H+](CCO)Cc1ncc(C(C)(C)C)o1 ZINC000047878829 358605051 /nfs/dbraw/zinc/60/50/51/358605051.db2.gz LAGDPFCOIHPWHU-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO CC[N@@H+](CCO)Cc1ncc(C(C)(C)C)o1 ZINC000047878829 358605055 /nfs/dbraw/zinc/60/50/55/358605055.db2.gz LAGDPFCOIHPWHU-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130122367 358610658 /nfs/dbraw/zinc/61/06/58/358610658.db2.gz NQOKUFUSOINYTO-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO C[N@H+](CCO)CC(=O)c1c[nH]c2ccccc12 ZINC000048013341 358611333 /nfs/dbraw/zinc/61/13/33/358611333.db2.gz DPGROZDJYLTOCB-UHFFFAOYSA-N 1 2 232.283 1.275 20 0 BDADLO C[N@@H+](CCO)CC(=O)c1c[nH]c2ccccc12 ZINC000048013341 358611335 /nfs/dbraw/zinc/61/13/35/358611335.db2.gz DPGROZDJYLTOCB-UHFFFAOYSA-N 1 2 232.283 1.275 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212733704 358621616 /nfs/dbraw/zinc/62/16/16/358621616.db2.gz YEVOMNCILKPRDP-ONGXEEELSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212733704 358621618 /nfs/dbraw/zinc/62/16/18/358621618.db2.gz YEVOMNCILKPRDP-ONGXEEELSA-N 1 2 233.315 1.772 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130509254 358630407 /nfs/dbraw/zinc/63/04/07/358630407.db2.gz JSQDXMWDAFWALF-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO C[C@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CCO1 ZINC000235717662 358591292 /nfs/dbraw/zinc/59/12/92/358591292.db2.gz DGNFXKRTVQOLPV-NKWVEPMBSA-N 1 2 242.710 1.692 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)CCO1 ZINC000235717662 358591297 /nfs/dbraw/zinc/59/12/97/358591297.db2.gz DGNFXKRTVQOLPV-NKWVEPMBSA-N 1 2 242.710 1.692 20 0 BDADLO CCC[N@H+](CCO)Cc1noc(C(C)C)n1 ZINC000048738995 358652235 /nfs/dbraw/zinc/65/22/35/358652235.db2.gz KFOYKUPFGDKNLQ-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CCC[N@@H+](CCO)Cc1noc(C(C)C)n1 ZINC000048738995 358652239 /nfs/dbraw/zinc/65/22/39/358652239.db2.gz KFOYKUPFGDKNLQ-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC[C@@H](C)[C@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000049856705 358703843 /nfs/dbraw/zinc/70/38/43/358703843.db2.gz PJAQEPSTUYWDEX-KOLCDFICSA-N 1 2 239.319 1.097 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2ccn(C)n2)cn1 ZINC000213172040 358671769 /nfs/dbraw/zinc/67/17/69/358671769.db2.gz IFQFGFNOYVQBIN-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO Cc1nc(N2CCO[C@H](c3ccco3)C2)cc[nH+]1 ZINC000133381072 358752446 /nfs/dbraw/zinc/75/24/46/358752446.db2.gz SRDHQUNIMYMWSV-LBPRGKRZSA-N 1 2 245.282 1.956 20 0 BDADLO CCn1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000633169990 358709745 /nfs/dbraw/zinc/70/97/45/358709745.db2.gz HHMONOXPZWHPHW-MRVPVSSYSA-N 1 2 247.302 1.426 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nc(C)c(C)o1 ZINC000050067162 358711691 /nfs/dbraw/zinc/71/16/91/358711691.db2.gz GFBLKMDEALGCCF-UHFFFAOYSA-N 1 2 240.303 1.676 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000050067162 358711692 /nfs/dbraw/zinc/71/16/92/358711692.db2.gz GFBLKMDEALGCCF-UHFFFAOYSA-N 1 2 240.303 1.676 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)c1cncs1 ZINC000308518712 491136803 /nfs/dbraw/zinc/13/68/03/491136803.db2.gz NVGODOXXKAKLHC-SSDOTTSWSA-N 1 2 209.274 1.982 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[C@H](F)C1 ZINC000578238409 366461803 /nfs/dbraw/zinc/46/18/03/366461803.db2.gz AMRYXJGICNTBQQ-UWVGGRQHSA-N 1 2 239.294 1.739 20 0 BDADLO CCc1noc(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000640215318 358789245 /nfs/dbraw/zinc/78/92/45/358789245.db2.gz DMBIFFZXKDISFT-VIFPVBQESA-N 1 2 247.302 1.453 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000052660125 358789766 /nfs/dbraw/zinc/78/97/66/358789766.db2.gz WEONKKZBAQEKPZ-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000052660125 358789770 /nfs/dbraw/zinc/78/97/70/358789770.db2.gz WEONKKZBAQEKPZ-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO COCCOCCCCNc1cc[nH+]c(C)n1 ZINC000135241218 358827644 /nfs/dbraw/zinc/82/76/44/358827644.db2.gz ZTUVHOVGBZHBDW-UHFFFAOYSA-N 1 2 239.319 1.640 20 0 BDADLO CCO[C@H]1C[C@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000578288497 366474194 /nfs/dbraw/zinc/47/41/94/366474194.db2.gz RJUINEBGRXHFNC-NEPJUHHUSA-N 1 2 249.314 1.997 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(CC(C)C)no1 ZINC000135426958 358837279 /nfs/dbraw/zinc/83/72/79/358837279.db2.gz MZISLOBFRJDCPX-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(CC(C)C)no1 ZINC000135426958 358837282 /nfs/dbraw/zinc/83/72/82/358837282.db2.gz MZISLOBFRJDCPX-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO C[C@H](N(C)C(=O)Cn1cc[nH+]c1)C1(C)CC1 ZINC000578291450 366475952 /nfs/dbraw/zinc/47/59/52/366475952.db2.gz WHRGSULOHPSUJY-JTQLQIEISA-N 1 2 221.304 1.530 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccon1 ZINC000135559787 358844351 /nfs/dbraw/zinc/84/43/51/358844351.db2.gz KOOIMLYOALTBRR-LBPRGKRZSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccon1 ZINC000135559787 358844353 /nfs/dbraw/zinc/84/43/53/358844353.db2.gz KOOIMLYOALTBRR-LBPRGKRZSA-N 1 2 246.314 1.918 20 0 BDADLO CC[C@H](NC(=O)c1ncccc1O)c1[nH]cc[nH+]1 ZINC000139747759 358913690 /nfs/dbraw/zinc/91/36/90/358913690.db2.gz VIYPDFLCPPLIFB-QMMMGPOBSA-N 1 2 246.270 1.391 20 0 BDADLO Cn1cc[nH+]c1CNC(C)(C)C(F)F ZINC000308730031 491137923 /nfs/dbraw/zinc/13/79/23/491137923.db2.gz IUDRTQIOPKWJGY-UHFFFAOYSA-N 1 2 203.236 1.553 20 0 BDADLO FC(F)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640219066 358885005 /nfs/dbraw/zinc/88/50/05/358885005.db2.gz YYHWGKVMZNIUTH-SSDOTTSWSA-N 1 2 201.220 1.573 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccoc1 ZINC000057920821 358907945 /nfs/dbraw/zinc/90/79/45/358907945.db2.gz CXASRWFQDUPWFK-UHFFFAOYSA-N 1 2 219.244 1.285 20 0 BDADLO CC[C@@H](NC(=O)c1ccnnc1)c1[nH]cc[nH+]1 ZINC000140516968 358922387 /nfs/dbraw/zinc/92/23/87/358922387.db2.gz FHHDIHRKRYEUSN-SECBINFHSA-N 1 2 231.259 1.081 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871946 359106582 /nfs/dbraw/zinc/10/65/82/359106582.db2.gz SIXYARVEELVPQN-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871946 359106588 /nfs/dbraw/zinc/10/65/88/359106588.db2.gz SIXYARVEELVPQN-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO COc1ccc(N[C@@H](C)c2[nH+]ccn2C)cn1 ZINC000070443224 359053006 /nfs/dbraw/zinc/05/30/06/359053006.db2.gz CGYRIPLWUUIENX-VIFPVBQESA-N 1 2 232.287 1.997 20 0 BDADLO Cc1nc(N2CCC[C@H]2C[C@H](C)O)cc[nH+]1 ZINC000246662389 359155958 /nfs/dbraw/zinc/15/59/58/359155958.db2.gz KTYOQJZRRNLCBR-ONGXEEELSA-N 1 2 221.304 1.525 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000247703233 359242240 /nfs/dbraw/zinc/24/22/40/359242240.db2.gz YHUFJJYFBMTHNH-DTWKUNHWSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000247703233 359242244 /nfs/dbraw/zinc/24/22/44/359242244.db2.gz YHUFJJYFBMTHNH-DTWKUNHWSA-N 1 2 209.293 1.998 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247730292 359243428 /nfs/dbraw/zinc/24/34/28/359243428.db2.gz VCDFTGCSIWBNBD-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247730292 359243432 /nfs/dbraw/zinc/24/34/32/359243432.db2.gz VCDFTGCSIWBNBD-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cnns1 ZINC000613763087 363633695 /nfs/dbraw/zinc/63/36/95/363633695.db2.gz MPZVCHQRXBYOPD-RNFRBKRXSA-N 1 2 249.299 1.014 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000248370682 359272235 /nfs/dbraw/zinc/27/22/35/359272235.db2.gz XUNKHGDOLIRBGG-RKDXNWHRSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000248370682 359272238 /nfs/dbraw/zinc/27/22/38/359272238.db2.gz XUNKHGDOLIRBGG-RKDXNWHRSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[NH+]2C[C@@H](C)[C@H](C)C2)no1 ZINC000076111087 359274132 /nfs/dbraw/zinc/27/41/32/359274132.db2.gz UKUYTPPFILENOK-RKDXNWHRSA-N 1 2 209.293 1.720 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611648774 359408538 /nfs/dbraw/zinc/40/85/38/359408538.db2.gz GGPNSOABVZOHLS-UWVGGRQHSA-N 1 2 233.315 1.526 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611648774 359408540 /nfs/dbraw/zinc/40/85/40/359408540.db2.gz GGPNSOABVZOHLS-UWVGGRQHSA-N 1 2 233.315 1.526 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580433 359397929 /nfs/dbraw/zinc/39/79/29/359397929.db2.gz WGCQKEJKRCMPBK-YUMQZZPRSA-N 1 2 237.246 1.252 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580433 359397933 /nfs/dbraw/zinc/39/79/33/359397933.db2.gz WGCQKEJKRCMPBK-YUMQZZPRSA-N 1 2 237.246 1.252 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000611796495 359452489 /nfs/dbraw/zinc/45/24/89/359452489.db2.gz ZWULUYKRPQIQEK-VHSXEESVSA-N 1 2 237.303 1.149 20 0 BDADLO COC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C(=O)OC ZINC000390638409 359507569 /nfs/dbraw/zinc/50/75/69/359507569.db2.gz MHQHZCWMLDMVPJ-ZJUUUORDSA-N 1 2 231.336 1.446 20 0 BDADLO COC(=O)[C@H](c1ccccc1C)[N@H+](C)CCO ZINC000162787625 359520333 /nfs/dbraw/zinc/52/03/33/359520333.db2.gz IFHFCHYTJVMDAZ-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)[C@H](c1ccccc1C)[N@@H+](C)CCO ZINC000162787625 359520336 /nfs/dbraw/zinc/52/03/36/359520336.db2.gz IFHFCHYTJVMDAZ-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H](C)O ZINC000450787709 202266317 /nfs/dbraw/zinc/26/63/17/202266317.db2.gz BLRBOKOFHCIVAU-WCBMZHEXSA-N 1 2 221.304 1.347 20 0 BDADLO Cc1nc(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc[nH+]1 ZINC000450810040 202271877 /nfs/dbraw/zinc/27/18/77/202271877.db2.gz KDACHUSICRLJGU-AGIUHOORSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1nc(N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc[nH+]1 ZINC000450810042 202272775 /nfs/dbraw/zinc/27/27/75/202272775.db2.gz KDACHUSICRLJGU-FRRDWIJNSA-N 1 2 247.342 1.772 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2ccco2)CCO1 ZINC000628497295 359701177 /nfs/dbraw/zinc/70/11/77/359701177.db2.gz KQEZUJCZSMRWSH-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2ccco2)CCO1 ZINC000628497295 359701181 /nfs/dbraw/zinc/70/11/81/359701181.db2.gz KQEZUJCZSMRWSH-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO CC(C)c1nc(N[C@H]2COCC2(C)C)cc[nH+]1 ZINC000450855696 202290795 /nfs/dbraw/zinc/29/07/95/202290795.db2.gz MYQDQUFWOKLHLU-JTQLQIEISA-N 1 2 235.331 1.859 20 0 BDADLO Cc1nc(CN(C)Cc2[nH+]ccn2C)cs1 ZINC000057620435 359723207 /nfs/dbraw/zinc/72/32/07/359723207.db2.gz QNYXTMHQADOJQW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000533116403 359735802 /nfs/dbraw/zinc/73/58/02/359735802.db2.gz UBFFMMOYEJHSKD-SNVBAGLBSA-N 1 2 219.288 1.313 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCOC[C@H]1C ZINC000380173841 359743555 /nfs/dbraw/zinc/74/35/55/359743555.db2.gz MKMLCUSFMNKNOE-SCZZXKLOSA-N 1 2 237.303 1.007 20 0 BDADLO COCC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC000450916843 202308875 /nfs/dbraw/zinc/30/88/75/202308875.db2.gz BJIYHNWLYHMBNQ-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)[N@H+](Cc1cnns1)[C@H]1CCOC1 ZINC000451050209 202339092 /nfs/dbraw/zinc/33/90/92/202339092.db2.gz NLQOMNWBSGRDSB-VIFPVBQESA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)[N@@H+](Cc1cnns1)[C@H]1CCOC1 ZINC000451050209 202339095 /nfs/dbraw/zinc/33/90/95/202339095.db2.gz NLQOMNWBSGRDSB-VIFPVBQESA-N 1 2 227.333 1.537 20 0 BDADLO CC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000578494987 366579346 /nfs/dbraw/zinc/57/93/46/366579346.db2.gz XFTHWNPLPOFGOC-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CC[N@H+](C[C@H](C)OC)[C@@H](C)c1csnn1 ZINC000451058212 202331281 /nfs/dbraw/zinc/33/12/81/202331281.db2.gz LKXDWZNJUIYWCY-IUCAKERBSA-N 1 2 229.349 1.956 20 0 BDADLO CC[N@@H+](C[C@H](C)OC)[C@@H](C)c1csnn1 ZINC000451058212 202331283 /nfs/dbraw/zinc/33/12/83/202331283.db2.gz LKXDWZNJUIYWCY-IUCAKERBSA-N 1 2 229.349 1.956 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612405694 359832051 /nfs/dbraw/zinc/83/20/51/359832051.db2.gz DOGXOYRCVTUAIJ-VIFPVBQESA-N 1 2 245.326 1.573 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612405694 359832054 /nfs/dbraw/zinc/83/20/54/359832054.db2.gz DOGXOYRCVTUAIJ-VIFPVBQESA-N 1 2 245.326 1.573 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451112664 202354630 /nfs/dbraw/zinc/35/46/30/202354630.db2.gz APOLXJRKPHIQQJ-ZYHUDNBSSA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451112664 202354633 /nfs/dbraw/zinc/35/46/33/202354633.db2.gz APOLXJRKPHIQQJ-ZYHUDNBSSA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nc(C(=O)OC)cs1 ZINC000451064391 202342925 /nfs/dbraw/zinc/34/29/25/202342925.db2.gz IOMBRZYFIBMHNJ-QMMMGPOBSA-N 1 2 240.328 1.914 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nc(C(=O)OC)cs1 ZINC000451064391 202342928 /nfs/dbraw/zinc/34/29/28/202342928.db2.gz IOMBRZYFIBMHNJ-QMMMGPOBSA-N 1 2 240.328 1.914 20 0 BDADLO CN(CC(F)F)C(=O)C[NH+]1CC(C)(C)C1 ZINC000578519992 366587964 /nfs/dbraw/zinc/58/79/64/366587964.db2.gz MUDVMVYUQSCVRM-UHFFFAOYSA-N 1 2 220.263 1.052 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cccc(C(C)=O)c1 ZINC000451069418 202347206 /nfs/dbraw/zinc/34/72/06/202347206.db2.gz UBTCNXPNAZEDFD-UHFFFAOYSA-N 1 2 248.326 1.587 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cccc(C(C)=O)c1 ZINC000451069418 202347209 /nfs/dbraw/zinc/34/72/09/202347209.db2.gz UBTCNXPNAZEDFD-UHFFFAOYSA-N 1 2 248.326 1.587 20 0 BDADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451179414 202369484 /nfs/dbraw/zinc/36/94/84/202369484.db2.gz AOURHPJLMLNZOD-SNVBAGLBSA-N 1 2 240.278 1.282 20 0 BDADLO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451179414 202369486 /nfs/dbraw/zinc/36/94/86/202369486.db2.gz AOURHPJLMLNZOD-SNVBAGLBSA-N 1 2 240.278 1.282 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@H](F)C1 ZINC000451184663 202372557 /nfs/dbraw/zinc/37/25/57/202372557.db2.gz KMUXOIQZIPIUSQ-ZJUUUORDSA-N 1 2 217.284 1.762 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@H](F)C1 ZINC000451184663 202372558 /nfs/dbraw/zinc/37/25/58/202372558.db2.gz KMUXOIQZIPIUSQ-ZJUUUORDSA-N 1 2 217.284 1.762 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)c1ccncc1 ZINC000309145357 491145595 /nfs/dbraw/zinc/14/55/95/491145595.db2.gz VAEFHBPOBQJXKU-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451183863 202374029 /nfs/dbraw/zinc/37/40/29/202374029.db2.gz JJTDDFZKFWBHDF-RYUDHWBXSA-N 1 2 244.354 1.923 20 0 BDADLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451183863 202374031 /nfs/dbraw/zinc/37/40/31/202374031.db2.gz JJTDDFZKFWBHDF-RYUDHWBXSA-N 1 2 244.354 1.923 20 0 BDADLO CSCCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000614050516 363705809 /nfs/dbraw/zinc/70/58/09/363705809.db2.gz DITGRZFDXQOALQ-UHFFFAOYSA-N 1 2 239.344 1.261 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)C12CCC2 ZINC000087709865 359924045 /nfs/dbraw/zinc/92/40/45/359924045.db2.gz KRLIIBIMIQJJNK-HBNTYKKESA-N 1 2 241.331 1.485 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000087710152 359924293 /nfs/dbraw/zinc/92/42/93/359924293.db2.gz YWAYWCXASQPUHE-QWRGUYRKSA-N 1 2 241.331 1.487 20 0 BDADLO CCn1ncnc1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000578711638 366629647 /nfs/dbraw/zinc/62/96/47/366629647.db2.gz KOFUYCAOSJGVDS-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO COc1cccc(F)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000088081020 359936152 /nfs/dbraw/zinc/93/61/52/359936152.db2.gz RALHIEBDHVCTOP-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO NC(=O)c1csc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000578899242 366671559 /nfs/dbraw/zinc/67/15/59/366671559.db2.gz PICZOSGBUYSWAT-VIFPVBQESA-N 1 2 242.319 1.781 20 0 BDADLO NC(=O)c1csc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000578899242 366671566 /nfs/dbraw/zinc/67/15/66/366671566.db2.gz PICZOSGBUYSWAT-VIFPVBQESA-N 1 2 242.319 1.781 20 0 BDADLO Cc1ccc(OCC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088753091 359974989 /nfs/dbraw/zinc/97/49/89/359974989.db2.gz GMRPDJMQTFJONT-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO Cc1ccc(OCC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088753091 359974993 /nfs/dbraw/zinc/97/49/93/359974993.db2.gz GMRPDJMQTFJONT-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO Cc1nc(N[C@H](CO)CC2CC2)cc[nH+]1 ZINC000309226510 491146407 /nfs/dbraw/zinc/14/64/07/491146407.db2.gz WCRSHQJEPUYAJR-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO COc1ccc(O)c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088751513 359975441 /nfs/dbraw/zinc/97/54/41/359975441.db2.gz GWDVTMFDPFGGJI-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO COc1ccc(O)c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088751513 359975447 /nfs/dbraw/zinc/97/54/47/359975447.db2.gz GWDVTMFDPFGGJI-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO O=C(CCOc1ccccc1)NCc1c[nH+]c[nH]1 ZINC000088752997 359975773 /nfs/dbraw/zinc/97/57/73/359975773.db2.gz RRFYGUDYKFLUKN-UHFFFAOYSA-N 1 2 245.282 1.495 20 0 BDADLO O=C(CCOc1ccccc1)NCc1c[nH]c[nH+]1 ZINC000088752997 359975776 /nfs/dbraw/zinc/97/57/76/359975776.db2.gz RRFYGUDYKFLUKN-UHFFFAOYSA-N 1 2 245.282 1.495 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(O)c1 ZINC000088751518 359975817 /nfs/dbraw/zinc/97/58/17/359975817.db2.gz ZHJCNZAAJPZQBR-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(O)c1 ZINC000088751518 359975821 /nfs/dbraw/zinc/97/58/21/359975821.db2.gz ZHJCNZAAJPZQBR-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO COC(=O)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451487535 202429122 /nfs/dbraw/zinc/42/91/22/202429122.db2.gz BVFNXTSMPBSTCV-UWVGGRQHSA-N 1 2 229.320 1.341 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612693590 360010563 /nfs/dbraw/zinc/01/05/63/360010563.db2.gz CNGKJEJCRSPCKN-ZDCRXTMVSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612693590 360010567 /nfs/dbraw/zinc/01/05/67/360010567.db2.gz CNGKJEJCRSPCKN-ZDCRXTMVSA-N 1 2 245.326 1.429 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)nc1 ZINC000089153085 359996095 /nfs/dbraw/zinc/99/60/95/359996095.db2.gz LYEXQKARNJDDHX-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)nc1 ZINC000089153085 359996100 /nfs/dbraw/zinc/99/61/00/359996100.db2.gz LYEXQKARNJDDHX-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000090814782 360090228 /nfs/dbraw/zinc/09/02/28/360090228.db2.gz OPXPEBQMMDILLT-GARJFASQSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C2CCC1CC2 ZINC000612882067 360155118 /nfs/dbraw/zinc/15/51/18/360155118.db2.gz QAUAVFLQOJIDKR-VOMCLLRMSA-N 1 2 248.330 1.608 20 0 BDADLO CCc1ncc(C[N@@H+]2CCNC(=O)CC2)s1 ZINC000093101468 360218602 /nfs/dbraw/zinc/21/86/02/360218602.db2.gz SHMCROHLUMCFPX-UHFFFAOYSA-N 1 2 239.344 1.027 20 0 BDADLO CCc1ncc(C[N@H+]2CCNC(=O)CC2)s1 ZINC000093101468 360218606 /nfs/dbraw/zinc/21/86/06/360218606.db2.gz SHMCROHLUMCFPX-UHFFFAOYSA-N 1 2 239.344 1.027 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000093313769 360228667 /nfs/dbraw/zinc/22/86/67/360228667.db2.gz HZHNXXXXEJFNGU-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000093313769 360228673 /nfs/dbraw/zinc/22/86/73/360228673.db2.gz HZHNXXXXEJFNGU-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000093316010 360229311 /nfs/dbraw/zinc/22/93/11/360229311.db2.gz NOSHAEWZDFTWRK-VIFPVBQESA-N 1 2 239.319 1.976 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000093316010 360229314 /nfs/dbraw/zinc/22/93/14/360229314.db2.gz NOSHAEWZDFTWRK-VIFPVBQESA-N 1 2 239.319 1.976 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccsc1 ZINC000093385071 360236892 /nfs/dbraw/zinc/23/68/92/360236892.db2.gz OJCWCOOTKKMWDN-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccsc1 ZINC000093385071 360236895 /nfs/dbraw/zinc/23/68/95/360236895.db2.gz OJCWCOOTKKMWDN-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1ccccn1 ZINC000096475283 360349128 /nfs/dbraw/zinc/34/91/28/360349128.db2.gz PUJIVGQXSILGIL-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096641833 360351114 /nfs/dbraw/zinc/35/11/14/360351114.db2.gz FGMKVORPJDBASN-SNVBAGLBSA-N 1 2 221.304 1.218 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096641919 360351144 /nfs/dbraw/zinc/35/11/44/360351144.db2.gz QNISHDNAXCPIOL-JTQLQIEISA-N 1 2 245.282 1.355 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096643185 360351393 /nfs/dbraw/zinc/35/13/93/360351393.db2.gz WAALPTLCSHQELZ-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096643186 360351464 /nfs/dbraw/zinc/35/14/64/360351464.db2.gz WAALPTLCSHQELZ-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CC(C)(F)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000631189334 360379089 /nfs/dbraw/zinc/37/90/89/360379089.db2.gz OCATZEQNMZNVKU-UHFFFAOYSA-N 1 2 228.315 1.871 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000096785902 360355420 /nfs/dbraw/zinc/35/54/20/360355420.db2.gz ZROCHHQBSUPNDC-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO COc1cc[nH+]cc1NCc1ncnn1C(C)C ZINC000631099567 360403692 /nfs/dbraw/zinc/40/36/92/360403692.db2.gz XLUCQOZRQZEDOY-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO Cc1nc(N2CC[C@H](C)C3(CCC3)C2)nc(N)[nH+]1 ZINC000631192494 360575414 /nfs/dbraw/zinc/57/54/14/360575414.db2.gz XUBHPDSSPMWPQK-VIFPVBQESA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C)C3(CCC3)C2)[nH+]1 ZINC000631192494 360575418 /nfs/dbraw/zinc/57/54/18/360575418.db2.gz XUBHPDSSPMWPQK-VIFPVBQESA-N 1 2 247.346 1.609 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1nnnn1C ZINC000309527524 491150006 /nfs/dbraw/zinc/15/00/06/491150006.db2.gz CVNRTVINSVQACN-JGVFFNPUSA-N 1 2 237.332 1.683 20 0 BDADLO Cc1cc(N2CC[C@H](O)[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000631532408 360629886 /nfs/dbraw/zinc/62/98/86/360629886.db2.gz AJJWUPNEEGMTDJ-XQQFMLRXSA-N 1 2 247.342 1.915 20 0 BDADLO CCC(F)(F)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000628839859 360693749 /nfs/dbraw/zinc/69/37/49/360693749.db2.gz YRFWLAYBDIWRQT-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO CCC(F)(F)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000628839859 360693754 /nfs/dbraw/zinc/69/37/54/360693754.db2.gz YRFWLAYBDIWRQT-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000628917417 360752353 /nfs/dbraw/zinc/75/23/53/360752353.db2.gz NQSOGEXLFRNGOZ-WDEREUQCSA-N 1 2 242.363 1.115 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C(C)(C)C ZINC000628917417 360752360 /nfs/dbraw/zinc/75/23/60/360752360.db2.gz NQSOGEXLFRNGOZ-WDEREUQCSA-N 1 2 242.363 1.115 20 0 BDADLO Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000628926029 360758357 /nfs/dbraw/zinc/75/83/57/360758357.db2.gz NQQKHLHHLZNVGN-ZDUSSCGKSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000628926029 360758360 /nfs/dbraw/zinc/75/83/60/360758360.db2.gz NQQKHLHHLZNVGN-ZDUSSCGKSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1cc(N)nc(S[C@H]2CCO[C@H](C)C2)[nH+]1 ZINC000629103665 360878621 /nfs/dbraw/zinc/87/86/21/360878621.db2.gz JOASXFPYQJMYQD-BDAKNGLRSA-N 1 2 239.344 1.857 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629128188 360891659 /nfs/dbraw/zinc/89/16/59/360891659.db2.gz QVRJHTYMSIFFAP-WDEREUQCSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1conc1C ZINC000631209565 361073568 /nfs/dbraw/zinc/07/35/68/361073568.db2.gz WWLXGGQEAJSYLX-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1conc1C ZINC000631209565 361073572 /nfs/dbraw/zinc/07/35/72/361073572.db2.gz WWLXGGQEAJSYLX-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000640350796 361076532 /nfs/dbraw/zinc/07/65/32/361076532.db2.gz STAXCEHRTPYLSD-QMMMGPOBSA-N 1 2 226.324 1.624 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000640350796 361076533 /nfs/dbraw/zinc/07/65/33/361076533.db2.gz STAXCEHRTPYLSD-QMMMGPOBSA-N 1 2 226.324 1.624 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000640401062 361196834 /nfs/dbraw/zinc/19/68/34/361196834.db2.gz PFSJFCPTSKTAIZ-SNVBAGLBSA-N 1 2 249.314 1.040 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332979705 361246865 /nfs/dbraw/zinc/24/68/65/361246865.db2.gz LCTAMHMJMKJTLL-OUAUKWLOSA-N 1 2 248.330 1.153 20 0 BDADLO C[C@@H](CC(=O)N1CCCOCC1)n1cc[nH+]c1 ZINC000578993582 366689972 /nfs/dbraw/zinc/68/99/72/366689972.db2.gz XQPSVQZXJQZLCJ-NSHDSACASA-N 1 2 237.303 1.083 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000640485986 361270065 /nfs/dbraw/zinc/27/00/65/361270065.db2.gz KKZCZICIPXPNJT-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)no1 ZINC000640485986 361270072 /nfs/dbraw/zinc/27/00/72/361270072.db2.gz KKZCZICIPXPNJT-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)ncn1 ZINC000428355342 201012255 /nfs/dbraw/zinc/01/22/55/201012255.db2.gz OXPUXZDPOKNSKF-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)ncn1 ZINC000428355342 201012257 /nfs/dbraw/zinc/01/22/57/201012257.db2.gz OXPUXZDPOKNSKF-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cnccn2)CCO1 ZINC000579204171 366732445 /nfs/dbraw/zinc/73/24/45/366732445.db2.gz PKTRHQUXGMRWQI-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cnccn2)CCO1 ZINC000579204171 366732448 /nfs/dbraw/zinc/73/24/48/366732448.db2.gz PKTRHQUXGMRWQI-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO Cc1cnccc1CC[N@@H+](C)Cc1nnc[nH]1 ZINC000579231227 366739660 /nfs/dbraw/zinc/73/96/60/366739660.db2.gz VMEBSSGFTXTYIB-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1cnccc1CC[N@H+](C)Cc1nnc[nH]1 ZINC000579231227 366739666 /nfs/dbraw/zinc/73/96/66/366739666.db2.gz VMEBSSGFTXTYIB-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C(F)F)n2)CC[C@@H]1O ZINC000428481607 201025430 /nfs/dbraw/zinc/02/54/30/201025430.db2.gz FSMNTNPREHBWAJ-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CC[C@@H]1O ZINC000428481607 201025432 /nfs/dbraw/zinc/02/54/32/201025432.db2.gz FSMNTNPREHBWAJ-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO [NH3+]C1(C(=O)Nc2ccc3nn[nH]c3c2)CCCC1 ZINC000237963999 181329832 /nfs/dbraw/zinc/32/98/32/181329832.db2.gz MCRVAHAQJVLALL-UHFFFAOYSA-N 1 2 245.286 1.168 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000428956050 201053043 /nfs/dbraw/zinc/05/30/43/201053043.db2.gz PKRXRHPEVAEFDZ-UHFFFAOYSA-N 1 2 224.279 1.312 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000428956050 201053046 /nfs/dbraw/zinc/05/30/46/201053046.db2.gz PKRXRHPEVAEFDZ-UHFFFAOYSA-N 1 2 224.279 1.312 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nncn1C(C)C ZINC000429274238 201089908 /nfs/dbraw/zinc/08/99/08/201089908.db2.gz OECFNXWMOQZBQN-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nncn1C(C)C ZINC000429274238 201089910 /nfs/dbraw/zinc/08/99/10/201089910.db2.gz OECFNXWMOQZBQN-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ncc(C)s1 ZINC000429154442 201073949 /nfs/dbraw/zinc/07/39/49/201073949.db2.gz GUDLCMVKQUIXBJ-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ncc(C)s1 ZINC000429154442 201073953 /nfs/dbraw/zinc/07/39/53/201073953.db2.gz GUDLCMVKQUIXBJ-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CC[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)OC ZINC000429234550 201081791 /nfs/dbraw/zinc/08/17/91/201081791.db2.gz OVLPJYDOCPKXTG-JQWIXIFHSA-N 1 2 249.310 1.401 20 0 BDADLO c1cn(-c2ccccc2)c(Cn2cncn2)[nH+]1 ZINC000429239144 201082899 /nfs/dbraw/zinc/08/28/99/201082899.db2.gz PLWZRTLOAZEBNH-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO CCCc1noc(C[N@H+](C)C2(CO)CCC2)n1 ZINC000429244956 201083745 /nfs/dbraw/zinc/08/37/45/201083745.db2.gz ARGGWRUTODCQHH-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000429244956 201083749 /nfs/dbraw/zinc/08/37/49/201083749.db2.gz ARGGWRUTODCQHH-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2cn(C)nn2)o1 ZINC000579425619 366780017 /nfs/dbraw/zinc/78/00/17/366780017.db2.gz BNYAYSKXXOVVDL-UHFFFAOYSA-N 1 2 249.318 1.354 20 0 BDADLO Cc1nc(C[NH2+]Cc2cc(C)ncn2)cs1 ZINC000309864594 491157675 /nfs/dbraw/zinc/15/76/75/491157675.db2.gz NYCMAHRTJFVCOD-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CN(CCCn1cc[nH+]c1)CC(F)F ZINC000181099399 366785025 /nfs/dbraw/zinc/78/50/25/366785025.db2.gz AFVOMLZAYKFQLJ-UHFFFAOYSA-N 1 2 203.236 1.470 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000429572684 201119414 /nfs/dbraw/zinc/11/94/14/201119414.db2.gz WADWXYSWBGFUBH-ZJUUUORDSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000429572684 201119416 /nfs/dbraw/zinc/11/94/16/201119416.db2.gz WADWXYSWBGFUBH-ZJUUUORDSA-N 1 2 239.319 1.836 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC(CO)CC2)no1 ZINC000429725693 201129999 /nfs/dbraw/zinc/12/99/99/201129999.db2.gz PLCXFVLRPHOYDB-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cnc(CC)s1 ZINC000430125676 201146718 /nfs/dbraw/zinc/14/67/18/201146718.db2.gz CMRQHCJSYDAJQK-UHFFFAOYSA-N 1 2 241.360 1.403 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cnc(CC)s1 ZINC000430125676 201146720 /nfs/dbraw/zinc/14/67/20/201146720.db2.gz CMRQHCJSYDAJQK-UHFFFAOYSA-N 1 2 241.360 1.403 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(CF)CCC1 ZINC000579475955 366824006 /nfs/dbraw/zinc/82/40/06/366824006.db2.gz OADRNOPRAKHFKQ-UHFFFAOYSA-N 1 2 225.267 1.474 20 0 BDADLO COc1ccc[nH+]c1NCC(C)(C)OCCO ZINC000379747780 361458556 /nfs/dbraw/zinc/45/85/56/361458556.db2.gz DPFIYDWMUHJOCC-UHFFFAOYSA-N 1 2 240.303 1.290 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000433777887 201193878 /nfs/dbraw/zinc/19/38/78/201193878.db2.gz QUVBJVSPEUKDGU-AOOOYVTPSA-N 1 2 244.298 1.634 20 0 BDADLO CCCCOCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433790376 201193941 /nfs/dbraw/zinc/19/39/41/201193941.db2.gz WNEIKGOLGHDKNP-UHFFFAOYSA-N 1 2 248.330 1.917 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCOC2)[nH+]1 ZINC000433789498 201194295 /nfs/dbraw/zinc/19/42/95/201194295.db2.gz MVVOKTUBGUNQFP-SECBINFHSA-N 1 2 232.287 1.137 20 0 BDADLO Cc1cnc(CNc2[nH+]c(C)nc3[nH]ccc32)o1 ZINC000433787690 201194857 /nfs/dbraw/zinc/19/48/57/201194857.db2.gz XCJNRSLEIVVMCT-UHFFFAOYSA-N 1 2 243.270 1.597 20 0 BDADLO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309949444 491158802 /nfs/dbraw/zinc/15/88/02/491158802.db2.gz FLHCRPTYKRYGFK-ZDTBXWBLSA-N 1 2 223.320 1.696 20 0 BDADLO CCC1(C)C[NH+](Cc2cc(C)n(C)n2)C1 ZINC000448552615 201243244 /nfs/dbraw/zinc/24/32/44/201243244.db2.gz PVVXOJRVSNWLJA-UHFFFAOYSA-N 1 2 207.321 1.960 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)o1 ZINC000634311546 361638046 /nfs/dbraw/zinc/63/80/46/361638046.db2.gz GKLTXKKZKIEVNP-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO Cc1cc(F)ccc1C[NH+]1CCN(C)CC1 ZINC000154408899 201276939 /nfs/dbraw/zinc/27/69/39/201276939.db2.gz KMICACQFXWUCKP-UHFFFAOYSA-N 1 2 222.307 1.882 20 0 BDADLO OCCOCCNc1ccc(-c2ccoc2)c[nH+]1 ZINC000629714618 361650769 /nfs/dbraw/zinc/65/07/69/361650769.db2.gz JWSXHPSJNMQLEF-UHFFFAOYSA-N 1 2 248.282 1.184 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000155233025 201308355 /nfs/dbraw/zinc/30/83/55/201308355.db2.gz BXJVHNBHAGPZRR-MNOVXSKESA-N 1 2 229.320 1.487 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000614427386 363813301 /nfs/dbraw/zinc/81/33/01/363813301.db2.gz QCCUDDROKSVLST-SNVBAGLBSA-N 1 2 249.314 1.040 20 0 BDADLO O=C(NCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000437682867 201365470 /nfs/dbraw/zinc/36/54/70/201365470.db2.gz NXYUFSYELUFXJM-UHFFFAOYSA-N 1 2 233.246 1.572 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000437867855 201378350 /nfs/dbraw/zinc/37/83/50/201378350.db2.gz BQQVXQURMOSAKR-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000437867855 201378351 /nfs/dbraw/zinc/37/83/51/201378351.db2.gz BQQVXQURMOSAKR-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614431817 363817403 /nfs/dbraw/zinc/81/74/03/363817403.db2.gz GBOVCOBMIOAFNR-SECBINFHSA-N 1 2 249.314 1.110 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614431817 363817407 /nfs/dbraw/zinc/81/74/07/363817407.db2.gz GBOVCOBMIOAFNR-SECBINFHSA-N 1 2 249.314 1.110 20 0 BDADLO C/C=C/CNC(=O)NCCCNc1cccc[nH+]1 ZINC000623627537 363845327 /nfs/dbraw/zinc/84/53/27/363845327.db2.gz BVCRWBZTRIUKIN-NSCUHMNNSA-N 1 2 248.330 1.759 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCOC ZINC000622082271 370697816 /nfs/dbraw/zinc/69/78/16/370697816.db2.gz KGGADGVLNVXLLE-JTQLQIEISA-N 1 2 239.319 1.507 20 0 BDADLO CC[C@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000618953123 363915257 /nfs/dbraw/zinc/91/52/57/363915257.db2.gz LVYWFLPHFKSRBI-ZDUSSCGKSA-N 1 2 235.331 1.968 20 0 BDADLO CCO[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000622081809 370698403 /nfs/dbraw/zinc/69/84/03/370698403.db2.gz CVXNZZOZVRQBBA-NXEZZACHSA-N 1 2 239.319 1.505 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnccn1 ZINC000622081941 370698476 /nfs/dbraw/zinc/69/84/76/370698476.db2.gz FZSYRRQHWGZLNA-VIFPVBQESA-N 1 2 245.286 1.184 20 0 BDADLO OC[C@H]([NH2+]Cc1ccno1)c1cccc(F)c1 ZINC000541983693 364057054 /nfs/dbraw/zinc/05/70/54/364057054.db2.gz QHNRZPFYIIVHJR-LBPRGKRZSA-N 1 2 236.246 1.637 20 0 BDADLO CCCCc1cc(NC[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000631132188 364067547 /nfs/dbraw/zinc/06/75/47/364067547.db2.gz BBXGDBUXWQEKNF-WCQYABFASA-N 1 2 249.358 1.814 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C(C)=O)CC1 ZINC000622083577 370699500 /nfs/dbraw/zinc/69/95/00/370699500.db2.gz HYJNUVFDYUXUOA-VIFPVBQESA-N 1 2 249.314 1.449 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CC12CC2 ZINC000622084135 370700954 /nfs/dbraw/zinc/70/09/54/370700954.db2.gz SFTZSVTZCPGLFB-UWVGGRQHSA-N 1 2 233.315 1.880 20 0 BDADLO Cc1ccc(-c2[nH+]ccn2C)c(CO)c1 ZINC000630497724 364184666 /nfs/dbraw/zinc/18/46/66/364184666.db2.gz PUSJNMCZJLAYLN-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@H]2CC2(F)F)c[nH+]1 ZINC000622200512 370761817 /nfs/dbraw/zinc/76/18/17/370761817.db2.gz RFRJPNNQEYHMLY-ZETCQYMHSA-N 1 2 229.230 1.493 20 0 BDADLO COC1(CNc2cccc(CO)[nH+]2)CCCC1 ZINC000432754757 192956368 /nfs/dbraw/zinc/95/63/68/192956368.db2.gz NSCLHKKQZWECPZ-UHFFFAOYSA-N 1 2 236.315 1.945 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]1C(F)(F)F ZINC000615028969 364394376 /nfs/dbraw/zinc/39/43/76/364394376.db2.gz FKCCMPSHTYLWCZ-QMMMGPOBSA-N 1 2 247.220 1.126 20 0 BDADLO COc1cc(NCc2[nH]cc(C)[nH+]2)cnc1OC ZINC000623631944 364665547 /nfs/dbraw/zinc/66/55/47/364665547.db2.gz BPDYOYBGRNPKHN-UHFFFAOYSA-N 1 2 248.286 1.742 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000155848330 364741427 /nfs/dbraw/zinc/74/14/27/364741427.db2.gz ZXGKJZQWOMMUOZ-UHFFFAOYSA-N 1 2 249.358 1.818 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000155848330 364741431 /nfs/dbraw/zinc/74/14/31/364741431.db2.gz ZXGKJZQWOMMUOZ-UHFFFAOYSA-N 1 2 249.358 1.818 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@H](F)C1 ZINC000572856100 364773112 /nfs/dbraw/zinc/77/31/12/364773112.db2.gz XZHJJDLJIPJWHV-BQBZGAKWSA-N 1 2 226.255 1.370 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@H](F)C1 ZINC000572856100 364773118 /nfs/dbraw/zinc/77/31/18/364773118.db2.gz XZHJJDLJIPJWHV-BQBZGAKWSA-N 1 2 226.255 1.370 20 0 BDADLO Cc1cn2cc(NC(=O)C3CSC3)ccc2[nH+]1 ZINC000630886130 364785148 /nfs/dbraw/zinc/78/51/48/364785148.db2.gz YUPQIXSSYITSLS-UHFFFAOYSA-N 1 2 247.323 1.944 20 0 BDADLO COCC(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573376133 364814739 /nfs/dbraw/zinc/81/47/39/364814739.db2.gz INDFXBUPRYWVPM-JTQLQIEISA-N 1 2 239.319 1.375 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000580515183 364822446 /nfs/dbraw/zinc/82/24/46/364822446.db2.gz PHRKYBVYEOYBIN-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000580515183 364822456 /nfs/dbraw/zinc/82/24/56/364822456.db2.gz PHRKYBVYEOYBIN-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO COCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000573495449 364846607 /nfs/dbraw/zinc/84/66/07/364846607.db2.gz NFDKWHWWOMIRGN-SNVBAGLBSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000573620748 364876550 /nfs/dbraw/zinc/87/65/50/364876550.db2.gz RGKYDGIEJYIJOW-AOOOYVTPSA-N 1 2 207.277 1.283 20 0 BDADLO CC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)O ZINC000573733415 364905425 /nfs/dbraw/zinc/90/54/25/364905425.db2.gz IDMRKUFYODSXCV-AXFHLTTASA-N 1 2 239.319 1.110 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1nc[nH+]c(N)c1Cl ZINC000235551428 541390365 /nfs/dbraw/zinc/39/03/65/541390365.db2.gz KIAJBIAAXAPWEQ-RITPCOANSA-N 1 2 230.699 1.284 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1[nH+]cnc(N)c1Cl ZINC000235551428 541390367 /nfs/dbraw/zinc/39/03/67/541390367.db2.gz KIAJBIAAXAPWEQ-RITPCOANSA-N 1 2 230.699 1.284 20 0 BDADLO Cc1cc(NC(=O)NCC2=CCOCC2)cc[nH+]1 ZINC000573895777 364939933 /nfs/dbraw/zinc/93/99/33/364939933.db2.gz PULJOVJHCIOCFH-UHFFFAOYSA-N 1 2 247.298 1.280 20 0 BDADLO Cc1cnccc1C(=O)NCc1c[nH+]cn1C ZINC000336017830 541424514 /nfs/dbraw/zinc/42/45/14/541424514.db2.gz VJIBNAVOXKLOSV-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(CF)CCC1 ZINC000574042513 364968489 /nfs/dbraw/zinc/96/84/89/364968489.db2.gz LLWCMXJFKUEABT-SNVBAGLBSA-N 1 2 239.294 1.528 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1Cc2cccnc2C1 ZINC000574075608 364982354 /nfs/dbraw/zinc/98/23/54/364982354.db2.gz WWUMHXZNPAUQOE-SNVBAGLBSA-N 1 2 206.289 1.558 20 0 BDADLO C[C@@H](O)CCC[N@H+]1Cc2cccnc2C1 ZINC000574075608 364982356 /nfs/dbraw/zinc/98/23/56/364982356.db2.gz WWUMHXZNPAUQOE-SNVBAGLBSA-N 1 2 206.289 1.558 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574455781 365066533 /nfs/dbraw/zinc/06/65/33/365066533.db2.gz IHCGTFSZLCJLAI-QJPTWQEYSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@]1(C)CCOC1 ZINC000574290024 365030398 /nfs/dbraw/zinc/03/03/98/365030398.db2.gz FBVGGVBSDPFXRP-GFCCVEGCSA-N 1 2 221.304 1.354 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNc1nc(C)[nH+]cc1C ZINC000574290736 365030977 /nfs/dbraw/zinc/03/09/77/365030977.db2.gz OTJDJYHIVRINPO-VXGBXAGGSA-N 1 2 235.331 1.742 20 0 BDADLO COC(=O)c1cc(CNc2c[nH]c[nH+]2)cn1C ZINC000574564066 365089101 /nfs/dbraw/zinc/08/91/01/365089101.db2.gz WGNRQFQKNRXJBQ-UHFFFAOYSA-N 1 2 234.259 1.147 20 0 BDADLO COC[C@@H]1CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574576138 365094524 /nfs/dbraw/zinc/09/45/24/365094524.db2.gz IJJQWRKRDFYITN-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ccc(F)cn2)C1 ZINC000574831009 365155420 /nfs/dbraw/zinc/15/54/20/365155420.db2.gz AUXRBXKOPWKPLS-UHFFFAOYSA-N 1 2 237.278 1.501 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1csnn1 ZINC000443783004 193029702 /nfs/dbraw/zinc/02/97/02/193029702.db2.gz CMAHRBGONKXGQP-WCABBAIRSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1csnn1 ZINC000443783004 193029704 /nfs/dbraw/zinc/02/97/04/193029704.db2.gz CMAHRBGONKXGQP-WCABBAIRSA-N 1 2 241.360 1.519 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCCc2ccccc2C1 ZINC000171591947 365220849 /nfs/dbraw/zinc/22/08/49/365220849.db2.gz IUCBODIJLNMHJS-UHFFFAOYSA-N 1 2 242.326 1.764 20 0 BDADLO Cn1cnnc1C[N@H+]1CCCc2ccccc2C1 ZINC000171591947 365220854 /nfs/dbraw/zinc/22/08/54/365220854.db2.gz IUCBODIJLNMHJS-UHFFFAOYSA-N 1 2 242.326 1.764 20 0 BDADLO c1cnn(CCNc2cc[nH+]c3ccncc23)c1 ZINC000444103253 193033959 /nfs/dbraw/zinc/03/39/59/193033959.db2.gz BIBWXFBVARGPIA-UHFFFAOYSA-N 1 2 239.282 1.360 20 0 BDADLO CSCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000171344997 365192931 /nfs/dbraw/zinc/19/29/31/365192931.db2.gz UEYFWPJCXSLQGS-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO CSCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000171344997 365192935 /nfs/dbraw/zinc/19/29/35/365192935.db2.gz UEYFWPJCXSLQGS-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO C[C@@H](CN=c1nc(-c2ccccc2)o[nH]1)[NH+](C)C ZINC000443453429 193022472 /nfs/dbraw/zinc/02/24/72/193022472.db2.gz MAXMCFZMVGJNJM-JTQLQIEISA-N 1 2 246.314 1.521 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000171884587 365251949 /nfs/dbraw/zinc/25/19/49/365251949.db2.gz SODUBLDXHFJXIC-AXFHLTTASA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000171884587 365251954 /nfs/dbraw/zinc/25/19/54/365251954.db2.gz SODUBLDXHFJXIC-AXFHLTTASA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)CC1([NH2+]Cc2ncc(C)o2)CC1 ZINC000575185541 365234262 /nfs/dbraw/zinc/23/42/62/365234262.db2.gz BTYVZOLQBMRJJB-UHFFFAOYSA-N 1 2 224.260 1.168 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1nc2ccccc2[nH]1 ZINC000172479625 365328302 /nfs/dbraw/zinc/32/83/02/365328302.db2.gz WAENKIKZOKQTBK-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1nc2ccccc2[nH]1 ZINC000172479625 365328306 /nfs/dbraw/zinc/32/83/06/365328306.db2.gz WAENKIKZOKQTBK-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO COC(=O)[C@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000172191347 365300324 /nfs/dbraw/zinc/30/03/24/365300324.db2.gz CUGLAVXDVJKDQO-SSDOTTSWSA-N 1 2 221.247 1.525 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000172191347 365300329 /nfs/dbraw/zinc/30/03/29/365300329.db2.gz CUGLAVXDVJKDQO-SSDOTTSWSA-N 1 2 221.247 1.525 20 0 BDADLO CCCC[N@H+](CCCO)Cc1noc(CC)n1 ZINC000182148861 366870182 /nfs/dbraw/zinc/87/01/82/366870182.db2.gz QFTZCGQSAPZPEG-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCC[N@@H+](CCCO)Cc1noc(CC)n1 ZINC000182148861 366870188 /nfs/dbraw/zinc/87/01/88/366870188.db2.gz QFTZCGQSAPZPEG-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1nncn1C ZINC000172913905 365387656 /nfs/dbraw/zinc/38/76/56/365387656.db2.gz DWAZQNYLEIVSOR-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1nncn1C ZINC000172913905 365387660 /nfs/dbraw/zinc/38/76/60/365387660.db2.gz DWAZQNYLEIVSOR-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCCS1 ZINC000575816240 365373486 /nfs/dbraw/zinc/37/34/86/365373486.db2.gz NSIFFISSRQJODC-JTQLQIEISA-N 1 2 223.345 1.823 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000336893906 365380928 /nfs/dbraw/zinc/38/09/28/365380928.db2.gz LFDJKLXOZZNMRC-RKDXNWHRSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1cnc(C[N@@H+]2CCS[C@H](C)C2)o1 ZINC000173663520 365434156 /nfs/dbraw/zinc/43/41/56/365434156.db2.gz NHSNZOWKVMLQLY-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cnc(C[N@H+]2CCS[C@H](C)C2)o1 ZINC000173663520 365434163 /nfs/dbraw/zinc/43/41/63/365434163.db2.gz NHSNZOWKVMLQLY-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cccc(CCSCCOCCO)[nH+]1 ZINC000576040517 365459751 /nfs/dbraw/zinc/45/97/51/365459751.db2.gz IVRBLCYJBSYASH-UHFFFAOYSA-N 1 2 241.356 1.675 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576203522 365520170 /nfs/dbraw/zinc/52/01/70/365520170.db2.gz QJUKPEDUIDLKNG-KXUCPTDWSA-N 1 2 248.330 1.459 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576203522 365520175 /nfs/dbraw/zinc/52/01/75/365520175.db2.gz QJUKPEDUIDLKNG-KXUCPTDWSA-N 1 2 248.330 1.459 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnccn2)CCO1 ZINC000576205928 365520896 /nfs/dbraw/zinc/52/08/96/365520896.db2.gz RQMFAGIRRYZUSL-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnccn2)CCO1 ZINC000576205928 365520902 /nfs/dbraw/zinc/52/09/02/365520902.db2.gz RQMFAGIRRYZUSL-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(F)F ZINC000579630456 366918274 /nfs/dbraw/zinc/91/82/74/366918274.db2.gz RMIMKNHOOGOWQS-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ncc[nH]1 ZINC000353643888 541484719 /nfs/dbraw/zinc/48/47/19/541484719.db2.gz LFPSYHHMVKJYQS-BXKDBHETSA-N 1 2 249.289 1.933 20 0 BDADLO C[C@@H](CC(=O)Nc1ccnn1C)n1cc[nH+]c1 ZINC000579717673 366991105 /nfs/dbraw/zinc/99/11/05/366991105.db2.gz GSDAJFFXOAVOSK-VIFPVBQESA-N 1 2 233.275 1.206 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C(F)F)CC1 ZINC000579850932 367043402 /nfs/dbraw/zinc/04/34/02/367043402.db2.gz CDHMKKQUUHQKFW-ZETCQYMHSA-N 1 2 243.257 1.502 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C(F)F)CC1 ZINC000579850932 367043410 /nfs/dbraw/zinc/04/34/10/367043410.db2.gz CDHMKKQUUHQKFW-ZETCQYMHSA-N 1 2 243.257 1.502 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCOC(C)C)[C@H](C)CC ZINC000183575060 367031481 /nfs/dbraw/zinc/03/14/81/367031481.db2.gz MKUBQMIGCBVQPV-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000193060337 367146571 /nfs/dbraw/zinc/14/65/71/367146571.db2.gz NDPBWWNTLUVSFV-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000193060337 367146578 /nfs/dbraw/zinc/14/65/78/367146578.db2.gz NDPBWWNTLUVSFV-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+](C)C1CC1 ZINC000579947413 367096419 /nfs/dbraw/zinc/09/64/19/367096419.db2.gz KLBJZSMVUHCAFN-UHFFFAOYSA-N 1 2 206.293 1.287 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+](C)C1CC1 ZINC000579947413 367096421 /nfs/dbraw/zinc/09/64/21/367096421.db2.gz KLBJZSMVUHCAFN-UHFFFAOYSA-N 1 2 206.293 1.287 20 0 BDADLO Cc1cnc(CC[N@@H+](C)Cc2nnc[nH]2)c(C)c1 ZINC000579946789 367096613 /nfs/dbraw/zinc/09/66/13/367096613.db2.gz ZEQZNFZFJRRZSK-UHFFFAOYSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1cnc(CC[N@H+](C)Cc2nnc[nH]2)c(C)c1 ZINC000579946789 367096617 /nfs/dbraw/zinc/09/66/17/367096617.db2.gz ZEQZNFZFJRRZSK-UHFFFAOYSA-N 1 2 245.330 1.491 20 0 BDADLO CNC(=O)CCSCCc1cc[nH+]cc1C ZINC000580717291 367149774 /nfs/dbraw/zinc/14/97/74/367149774.db2.gz CTIUXGWFDRYVQJ-UHFFFAOYSA-N 1 2 238.356 1.802 20 0 BDADLO Cc1ccc(C=CC(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000380192721 367154251 /nfs/dbraw/zinc/15/42/51/367154251.db2.gz ATSVPUUVUAGGRI-WAYWQWQTSA-N 1 2 245.282 1.949 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)Cc1cnccn1 ZINC000580924188 367205501 /nfs/dbraw/zinc/20/55/01/367205501.db2.gz TWDWAVKFYHYIAB-UHFFFAOYSA-N 1 2 229.287 1.520 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000580992466 367226943 /nfs/dbraw/zinc/22/69/43/367226943.db2.gz NATJUGQHFMNVQH-DGCLKSJQSA-N 1 2 247.342 1.949 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@H](C)OC)o1 ZINC000581027605 367237482 /nfs/dbraw/zinc/23/74/82/367237482.db2.gz HCSWMWJWDWAICP-VIFPVBQESA-N 1 2 212.293 1.704 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@H](C)OC)o1 ZINC000581027605 367237484 /nfs/dbraw/zinc/23/74/84/367237484.db2.gz HCSWMWJWDWAICP-VIFPVBQESA-N 1 2 212.293 1.704 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000581328121 367352059 /nfs/dbraw/zinc/35/20/59/367352059.db2.gz JREAUDFUMGHAMW-AEJSXWLSSA-N 1 2 240.376 1.702 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000581328121 367352066 /nfs/dbraw/zinc/35/20/66/367352066.db2.gz JREAUDFUMGHAMW-AEJSXWLSSA-N 1 2 240.376 1.702 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccn[nH]1)C1CCCCC1 ZINC000381829041 367460459 /nfs/dbraw/zinc/46/04/59/367460459.db2.gz NCHCFXNCXBAJCJ-GFCCVEGCSA-N 1 2 223.320 1.441 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000581558510 367590578 /nfs/dbraw/zinc/59/05/78/367590578.db2.gz SHPSZYWVSQGXAL-UWVGGRQHSA-N 1 2 240.372 1.045 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(CF)CCC1 ZINC000581886030 367876125 /nfs/dbraw/zinc/87/61/25/367876125.db2.gz QXFSEQQKIHRHGE-UHFFFAOYSA-N 1 2 239.294 1.219 20 0 BDADLO CCC[C@H](C)c1cc(=NC(=O)C(C)(C)[NH3+])[nH][nH]1 ZINC000566185400 326008893 /nfs/dbraw/zinc/00/88/93/326008893.db2.gz DZBSHWUCKJMDGV-QMMMGPOBSA-N 1 2 238.335 1.411 20 0 BDADLO CC[C@@H]1[C@H](CO)CCN1c1cc(C)[nH+]cn1 ZINC000385926205 367884030 /nfs/dbraw/zinc/88/40/30/367884030.db2.gz UGFXNWWMEIRXCX-WDEREUQCSA-N 1 2 221.304 1.382 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCCC(F)(F)F ZINC000581902744 367894389 /nfs/dbraw/zinc/89/43/89/367894389.db2.gz KWDIZIDKBDOYIJ-UHFFFAOYSA-N 1 2 249.236 1.421 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1occc1C ZINC000386582574 367997002 /nfs/dbraw/zinc/99/70/02/367997002.db2.gz HTVHITVLCUYILZ-UHFFFAOYSA-N 1 2 248.286 1.605 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1occc1C ZINC000386582574 367997009 /nfs/dbraw/zinc/99/70/09/367997009.db2.gz HTVHITVLCUYILZ-UHFFFAOYSA-N 1 2 248.286 1.605 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccnc1 ZINC000019459592 367965830 /nfs/dbraw/zinc/96/58/30/367965830.db2.gz AGQQWAOAIXBBLC-LLVKDONJSA-N 1 2 244.298 1.546 20 0 BDADLO CC[C@@]1(C)CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000399404556 368163956 /nfs/dbraw/zinc/16/39/56/368163956.db2.gz PBZANXCDBATVLE-NSHDSACASA-N 1 2 221.308 1.219 20 0 BDADLO CC[C@@]1(C)CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000399404556 368163961 /nfs/dbraw/zinc/16/39/61/368163961.db2.gz PBZANXCDBATVLE-NSHDSACASA-N 1 2 221.308 1.219 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000399505749 368169997 /nfs/dbraw/zinc/16/99/97/368169997.db2.gz JAXJORBGVJXHAR-RNJXMRFFSA-N 1 2 221.308 1.073 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)[nH+]1 ZINC000399505749 368170003 /nfs/dbraw/zinc/17/00/03/368170003.db2.gz JAXJORBGVJXHAR-RNJXMRFFSA-N 1 2 221.308 1.073 20 0 BDADLO CC/C=C\CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615730842 368228392 /nfs/dbraw/zinc/22/83/92/368228392.db2.gz BETKYICBTBEZPK-XOULXFPDSA-N 1 2 233.315 1.597 20 0 BDADLO CC/C=C\CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615730842 368228394 /nfs/dbraw/zinc/22/83/94/368228394.db2.gz BETKYICBTBEZPK-XOULXFPDSA-N 1 2 233.315 1.597 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000042510057 368310371 /nfs/dbraw/zinc/31/03/71/368310371.db2.gz INMVERYYWUMZRY-VIFPVBQESA-N 1 2 233.271 1.603 20 0 BDADLO CN(CC(=O)NC(C)(C)C)c1cccc[nH+]1 ZINC000042848052 368348046 /nfs/dbraw/zinc/34/80/46/368348046.db2.gz NTHMHBSBSDWILC-UHFFFAOYSA-N 1 2 221.304 1.433 20 0 BDADLO NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000044259679 368415833 /nfs/dbraw/zinc/41/58/33/368415833.db2.gz BJCYFKMVWLMWOL-UTCJRWHESA-N 1 2 213.240 1.371 20 0 BDADLO CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000057982218 368505708 /nfs/dbraw/zinc/50/57/08/368505708.db2.gz HDIXQKNCSJHWTM-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000057982218 368505712 /nfs/dbraw/zinc/50/57/12/368505712.db2.gz HDIXQKNCSJHWTM-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO O=C(C1CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000060293609 368538213 /nfs/dbraw/zinc/53/82/13/368538213.db2.gz ITROYKYGTYXWOC-JTQLQIEISA-N 1 2 219.288 1.873 20 0 BDADLO O=C(CC(F)(F)F)NCCCCn1cc[nH+]c1 ZINC000060408436 368542061 /nfs/dbraw/zinc/54/20/61/368542061.db2.gz LBJSNSAMDOOANY-UHFFFAOYSA-N 1 2 249.236 1.732 20 0 BDADLO Cc1ccsc1C[N@H+](C)CCS(C)(=O)=O ZINC000061798824 368570549 /nfs/dbraw/zinc/57/05/49/368570549.db2.gz JBJFYKTWKHDDNU-UHFFFAOYSA-N 1 2 247.385 1.533 20 0 BDADLO Cc1ccsc1C[N@@H+](C)CCS(C)(=O)=O ZINC000061798824 368570555 /nfs/dbraw/zinc/57/05/55/368570555.db2.gz JBJFYKTWKHDDNU-UHFFFAOYSA-N 1 2 247.385 1.533 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)Cc1ccco1 ZINC000061783471 368570704 /nfs/dbraw/zinc/57/07/04/368570704.db2.gz WFRRZGRFZNYZNR-UHFFFAOYSA-N 1 2 224.304 1.578 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000061783471 368570706 /nfs/dbraw/zinc/57/07/06/368570706.db2.gz WFRRZGRFZNYZNR-UHFFFAOYSA-N 1 2 224.304 1.578 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccncc1 ZINC000063707296 368592214 /nfs/dbraw/zinc/59/22/14/368592214.db2.gz UWCGSSIHHQASRH-UHFFFAOYSA-N 1 2 242.282 1.319 20 0 BDADLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)on1 ZINC000063706308 368592386 /nfs/dbraw/zinc/59/23/86/368592386.db2.gz JWVNMZNKFGLRHB-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000064517927 368608627 /nfs/dbraw/zinc/60/86/27/368608627.db2.gz QMKSZQXQESAYEN-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000064517927 368608634 /nfs/dbraw/zinc/60/86/34/368608634.db2.gz QMKSZQXQESAYEN-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccc(F)cc2)[nH]1 ZINC000065531478 368623539 /nfs/dbraw/zinc/62/35/39/368623539.db2.gz WRDOWGGREHZLBW-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccc(F)cc2)[nH]1 ZINC000065531478 368623542 /nfs/dbraw/zinc/62/35/42/368623542.db2.gz WRDOWGGREHZLBW-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO CC(C)CN(C)c1[nH+]cnc2c1cnn2C ZINC000065945707 368634754 /nfs/dbraw/zinc/63/47/54/368634754.db2.gz CVBDYBKGYQEZHZ-UHFFFAOYSA-N 1 2 219.292 1.456 20 0 BDADLO CCCCc1nc(C[N@H+](C)CCCOC)no1 ZINC000066378290 368646091 /nfs/dbraw/zinc/64/60/91/368646091.db2.gz YYWRNOZQBSWAAO-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCCc1nc(C[N@@H+](C)CCCOC)no1 ZINC000066378290 368646094 /nfs/dbraw/zinc/64/60/94/368646094.db2.gz YYWRNOZQBSWAAO-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000259708209 370933513 /nfs/dbraw/zinc/93/35/13/370933513.db2.gz LTFHCWKCMHLUBQ-SECBINFHSA-N 1 2 217.334 1.377 20 0 BDADLO CCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000259708209 370933521 /nfs/dbraw/zinc/93/35/21/370933521.db2.gz LTFHCWKCMHLUBQ-SECBINFHSA-N 1 2 217.334 1.377 20 0 BDADLO COC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069611047 368756229 /nfs/dbraw/zinc/75/62/29/368756229.db2.gz YQFQHFXKUKXHRO-UHFFFAOYSA-N 1 2 234.299 1.111 20 0 BDADLO COC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000069611047 368756236 /nfs/dbraw/zinc/75/62/36/368756236.db2.gz YQFQHFXKUKXHRO-UHFFFAOYSA-N 1 2 234.299 1.111 20 0 BDADLO COc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000072615481 368775444 /nfs/dbraw/zinc/77/54/44/368775444.db2.gz QWWMQVAVGZCJEH-UHFFFAOYSA-N 1 2 245.282 1.921 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000073331147 368801028 /nfs/dbraw/zinc/80/10/28/368801028.db2.gz CRYDIUFTUCBZOL-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000073993348 368824827 /nfs/dbraw/zinc/82/48/27/368824827.db2.gz PMXDROVMFFGNIT-OLZOCXBDSA-N 1 2 247.342 1.968 20 0 BDADLO C[C@@H]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073074219 368792557 /nfs/dbraw/zinc/79/25/57/368792557.db2.gz OBZNJWQZPAZKMD-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CSC1 ZINC000616070033 368935125 /nfs/dbraw/zinc/93/51/25/368935125.db2.gz HBMRLDFGTTUFQK-MRVPVSSYSA-N 1 2 239.344 1.068 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CSC1 ZINC000616070033 368935127 /nfs/dbraw/zinc/93/51/27/368935127.db2.gz HBMRLDFGTTUFQK-MRVPVSSYSA-N 1 2 239.344 1.068 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)CCCF)n1 ZINC000616193607 369023214 /nfs/dbraw/zinc/02/32/14/369023214.db2.gz DNRSICAYLIMJDL-UHFFFAOYSA-N 1 2 245.323 1.893 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1[nH]ccc1C1CC1 ZINC000457551143 203073227 /nfs/dbraw/zinc/07/32/27/203073227.db2.gz NYRWEENOSMVQMH-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO Cc1[nH]c(C(=O)NCCCOC(C)(C)C)c[nH+]1 ZINC000618336776 369123427 /nfs/dbraw/zinc/12/34/27/369123427.db2.gz VHEWXQDWNYBRMD-UHFFFAOYSA-N 1 2 239.319 1.653 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457859738 203112746 /nfs/dbraw/zinc/11/27/46/203112746.db2.gz OIERNFGLHHFANW-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC2=CCCCC2)c1 ZINC000457856208 203113647 /nfs/dbraw/zinc/11/36/47/203113647.db2.gz LJVLJSZQQIXJJI-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000618419509 369142158 /nfs/dbraw/zinc/14/21/58/369142158.db2.gz GCCPXWNSCCFFOM-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCCC2(C)C)c1 ZINC000457863803 203113766 /nfs/dbraw/zinc/11/37/66/203113766.db2.gz TXAXGCQKWVZZIJ-GFCCVEGCSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@]1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1(F)F ZINC000618595563 369180684 /nfs/dbraw/zinc/18/06/84/369180684.db2.gz BWHHZQSJHQBPEA-NSHDSACASA-N 1 2 246.301 1.490 20 0 BDADLO CCO[C@H]1C[C@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000618618341 369186969 /nfs/dbraw/zinc/18/69/69/369186969.db2.gz IGRVEUOYAGPCIO-ZJUUUORDSA-N 1 2 239.271 1.333 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC=CCC1 ZINC000458348164 203165009 /nfs/dbraw/zinc/16/50/09/203165009.db2.gz OZEHTIDOGFRHFT-AWEZNQCLSA-N 1 2 247.342 1.968 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000458258742 203149873 /nfs/dbraw/zinc/14/98/73/203149873.db2.gz NUOGARBMUCEBKL-WOPDTQHZSA-N 1 2 233.315 1.578 20 0 BDADLO CCN(C(=O)NCc1[nH+]ccn1CC)C1CC1 ZINC000459011997 203221878 /nfs/dbraw/zinc/22/18/78/203221878.db2.gz OBVLUEISEMZKGD-UHFFFAOYSA-N 1 2 236.319 1.597 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)CCO1 ZINC000459280513 203244927 /nfs/dbraw/zinc/24/49/27/203244927.db2.gz NCOCOTWANKWGJO-VIFPVBQESA-N 1 2 249.314 1.280 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccccc1 ZINC000459300977 203249426 /nfs/dbraw/zinc/24/94/26/203249426.db2.gz ISHSOEWFGJHBTA-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccccc1 ZINC000459300977 203249428 /nfs/dbraw/zinc/24/94/28/203249428.db2.gz ISHSOEWFGJHBTA-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1cccs1 ZINC000459312909 203254940 /nfs/dbraw/zinc/25/49/40/203254940.db2.gz UQUOUTACSWMEFW-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1cccs1 ZINC000459312909 203254944 /nfs/dbraw/zinc/25/49/44/203254944.db2.gz UQUOUTACSWMEFW-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCOCC1CCCC1 ZINC000459321178 203255363 /nfs/dbraw/zinc/25/53/63/203255363.db2.gz AQAOFNWCGNLOHY-UHFFFAOYSA-N 1 2 243.347 1.734 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[C@H]2C1 ZINC000619366466 369326849 /nfs/dbraw/zinc/32/68/49/369326849.db2.gz GVFWBNMBKYHHBI-UWVGGRQHSA-N 1 2 219.288 1.211 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619373668 369330147 /nfs/dbraw/zinc/33/01/47/369330147.db2.gz WIACXRNEAUSAIJ-GMTAPVOTSA-N 1 2 245.326 1.383 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619373668 369330150 /nfs/dbraw/zinc/33/01/50/369330150.db2.gz WIACXRNEAUSAIJ-GMTAPVOTSA-N 1 2 245.326 1.383 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619354836 369321510 /nfs/dbraw/zinc/32/15/10/369321510.db2.gz IGURFKAVFZYKGG-ZYHUDNBSSA-N 1 2 241.294 1.816 20 0 BDADLO CCN(C)c1ccc(C[NH+]2CC(OC)C2)cn1 ZINC000459582973 203306157 /nfs/dbraw/zinc/30/61/57/203306157.db2.gz OGPLTVJINWKMTP-UHFFFAOYSA-N 1 2 235.331 1.368 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1ccnn1C ZINC000623680131 369381751 /nfs/dbraw/zinc/38/17/51/369381751.db2.gz YWXAKRWLLWHODE-UHFFFAOYSA-N 1 2 203.236 1.555 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cn(C)nc1C ZINC000623679911 369381887 /nfs/dbraw/zinc/38/18/87/369381887.db2.gz PKNMOTZXLWCGAV-UHFFFAOYSA-N 1 2 217.263 1.863 20 0 BDADLO COc1ccc(C[NH+]2CC(OC)C2)cc1OC ZINC000459582323 203307287 /nfs/dbraw/zinc/30/72/87/203307287.db2.gz NCYNUPWBYXFTGY-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO Cc1ccc2nc(C[NH+]3CC(CCO)C3)cn2c1 ZINC000459587553 203307574 /nfs/dbraw/zinc/30/75/74/203307574.db2.gz FDIPAAGXCAKXKG-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO CC[C@](COC)([NH2+]CC1CCCC1)C(=O)OC ZINC000459558527 203301754 /nfs/dbraw/zinc/30/17/54/203301754.db2.gz NYYISCFDNBYBTK-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO COc1ccccc1C[NH+]1CC(OC)C1 ZINC000459572944 203304993 /nfs/dbraw/zinc/30/49/93/203304993.db2.gz BJSJGFGNJPKCCF-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO COC1C[NH+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000459574130 203305286 /nfs/dbraw/zinc/30/52/86/203305286.db2.gz CSDLPPJRFQOQHC-UHFFFAOYSA-N 1 2 249.358 1.757 20 0 BDADLO CCOC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405085070 369444681 /nfs/dbraw/zinc/44/46/81/369444681.db2.gz IYSIREQMQXUKLF-UHFFFAOYSA-N 1 2 233.258 1.671 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403548461 369405015 /nfs/dbraw/zinc/40/50/15/369405015.db2.gz RTXZXVHMHVGJJY-AXFHLTTASA-N 1 2 233.315 1.771 20 0 BDADLO CCOC1(C)CN(Cc2[nH+]ccn2C)C1 ZINC000459627295 203321003 /nfs/dbraw/zinc/32/10/03/203321003.db2.gz WQLQIMMCFDLVQN-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC1(C)C[NH+](Cc2csc(C)n2)C1 ZINC000459623525 203321246 /nfs/dbraw/zinc/32/12/46/203321246.db2.gz QNBYSKFHFZQQTN-UHFFFAOYSA-N 1 2 226.345 1.920 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)OC ZINC000404148286 369420904 /nfs/dbraw/zinc/42/09/04/369420904.db2.gz SCUCAMUCSDBMBB-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)OC ZINC000404148286 369420907 /nfs/dbraw/zinc/42/09/07/369420907.db2.gz SCUCAMUCSDBMBB-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459636182 203326579 /nfs/dbraw/zinc/32/65/79/203326579.db2.gz JSTWNTAIAFFGPA-LLVKDONJSA-N 1 2 236.315 1.555 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1C ZINC000459775003 203364792 /nfs/dbraw/zinc/36/47/92/203364792.db2.gz QFIDKNHINXASBL-UWVGGRQHSA-N 1 2 223.345 1.418 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1C ZINC000459775003 203364796 /nfs/dbraw/zinc/36/47/96/203364796.db2.gz QFIDKNHINXASBL-UWVGGRQHSA-N 1 2 223.345 1.418 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H]3C[C@H]2CS3)n1C ZINC000459775003 203364799 /nfs/dbraw/zinc/36/47/99/203364799.db2.gz QFIDKNHINXASBL-UWVGGRQHSA-N 1 2 223.345 1.418 20 0 BDADLO COC[C@@H](C)Nc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631034630 370983419 /nfs/dbraw/zinc/98/34/19/370983419.db2.gz POGVVHJTGXCEQZ-SECBINFHSA-N 1 2 248.330 1.950 20 0 BDADLO C[C@H](NC(=O)c1ccc[nH]1)c1[nH+]ccn1C ZINC000082277540 370978637 /nfs/dbraw/zinc/97/86/37/370978637.db2.gz SFDFZOKKADLCJB-QMMMGPOBSA-N 1 2 218.260 1.239 20 0 BDADLO C[C@H](NC(=O)c1cccs1)c1[nH+]ccn1C ZINC000082281369 370980329 /nfs/dbraw/zinc/98/03/29/370980329.db2.gz XQLUSIIJYRBJNF-QMMMGPOBSA-N 1 2 235.312 1.973 20 0 BDADLO C[C@@H](CC(=O)Nc1cnns1)n1cc[nH+]c1 ZINC000567996494 326293851 /nfs/dbraw/zinc/29/38/51/326293851.db2.gz MMUUNBQLHMYHSC-ZETCQYMHSA-N 1 2 237.288 1.324 20 0 BDADLO CN(CC1CC1)C(=O)CCCn1cc[nH+]c1 ZINC000620412589 369867502 /nfs/dbraw/zinc/86/75/02/369867502.db2.gz RHZMMHAGNNEUAT-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CC(C)c1nc(NCCC[S@@](C)=O)cc[nH+]1 ZINC000110592473 369875500 /nfs/dbraw/zinc/87/55/00/369875500.db2.gz HTVNLGNSXOQRBY-INIZCTEOSA-N 1 2 241.360 1.781 20 0 BDADLO COC[C@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620602768 369950235 /nfs/dbraw/zinc/95/02/35/369950235.db2.gz DUCYXFBMRSLISF-NXEZZACHSA-N 1 2 239.319 1.270 20 0 BDADLO CCc1nc(C(=O)N[C@H](C)c2[nH+]ccn2C)co1 ZINC000620602773 369950356 /nfs/dbraw/zinc/95/03/56/369950356.db2.gz ALGGYPYSKFNCLG-MRVPVSSYSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1cncc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000620600510 369950419 /nfs/dbraw/zinc/95/04/19/369950419.db2.gz ORUZXWUCOJSVCC-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000620604012 369951366 /nfs/dbraw/zinc/95/13/66/369951366.db2.gz PPLDGFSHJJKWFR-SECBINFHSA-N 1 2 221.304 1.788 20 0 BDADLO C[C@H](NC(=O)[C@]1(C)CCCO1)c1[nH+]ccn1C ZINC000620603240 369951498 /nfs/dbraw/zinc/95/14/98/369951498.db2.gz IVDYWZMZHGVYQK-CABZTGNLSA-N 1 2 237.303 1.166 20 0 BDADLO Cc1ncoc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603571 369952135 /nfs/dbraw/zinc/95/21/35/369952135.db2.gz LGOISJSWFMFQFS-MRVPVSSYSA-N 1 2 234.259 1.208 20 0 BDADLO Cc1cnccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604907 369952687 /nfs/dbraw/zinc/95/26/87/369952687.db2.gz WQYDEPKLKAXROD-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](NC(=O)c1cncc(O)c1)c1[nH+]ccn1C ZINC000620605371 369953134 /nfs/dbraw/zinc/95/31/34/369953134.db2.gz BOZMVCYSSZBAQB-QMMMGPOBSA-N 1 2 246.270 1.012 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604662 369953520 /nfs/dbraw/zinc/95/35/20/369953520.db2.gz URLWSYBSVXVJSX-DCAQKATOSA-N 1 2 235.331 1.889 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1[nH+]ccn1C ZINC000620606666 369955431 /nfs/dbraw/zinc/95/54/31/369955431.db2.gz YIHBWASZKFQYMI-BBBLOLIVSA-N 1 2 237.303 1.022 20 0 BDADLO COCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620648070 369972098 /nfs/dbraw/zinc/97/20/98/369972098.db2.gz SFXOPDOXLLCYTR-UHFFFAOYSA-N 1 2 219.244 1.228 20 0 BDADLO CCOCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620595357 369947862 /nfs/dbraw/zinc/94/78/62/369947862.db2.gz IBGPLDVORZULLH-JTQLQIEISA-N 1 2 239.319 1.414 20 0 BDADLO CC[C@]1([NH2+]CC(=O)OC(C)(C)C)CCOC1 ZINC000309840287 370267422 /nfs/dbraw/zinc/26/74/22/370267422.db2.gz CTUADHVISJYAPX-LBPRGKRZSA-N 1 2 229.320 1.487 20 0 BDADLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000112616753 370334653 /nfs/dbraw/zinc/33/46/53/370334653.db2.gz OZRDFYZOCQGIIH-SNVBAGLBSA-N 1 2 248.317 1.880 20 0 BDADLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112616753 370334660 /nfs/dbraw/zinc/33/46/60/370334660.db2.gz OZRDFYZOCQGIIH-SNVBAGLBSA-N 1 2 248.317 1.880 20 0 BDADLO C[C@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(N)=O ZINC000621401555 370338541 /nfs/dbraw/zinc/33/85/41/370338541.db2.gz CNDHZZIEVWDQFM-CBAPKCEASA-N 1 2 234.290 1.664 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccnc2C)CCO1 ZINC000621710694 370455759 /nfs/dbraw/zinc/45/57/59/370455759.db2.gz MFSBVWVKYIKUAS-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621710694 370455764 /nfs/dbraw/zinc/45/57/64/370455764.db2.gz MFSBVWVKYIKUAS-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2nccnc2C)CCO1 ZINC000621724181 370475074 /nfs/dbraw/zinc/47/50/74/370475074.db2.gz ASXMZNSVPTWCEV-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2nccnc2C)CCO1 ZINC000621724181 370475080 /nfs/dbraw/zinc/47/50/80/370475080.db2.gz ASXMZNSVPTWCEV-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000621724586 370477133 /nfs/dbraw/zinc/47/71/33/370477133.db2.gz NKVRYXBVYUMCPI-DLOVCJGASA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000621724586 370477136 /nfs/dbraw/zinc/47/71/36/370477136.db2.gz NKVRYXBVYUMCPI-DLOVCJGASA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccnc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000621727677 370480643 /nfs/dbraw/zinc/48/06/43/370480643.db2.gz MENCHCJORULVOT-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO Cc1nccnc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000621727677 370480651 /nfs/dbraw/zinc/48/06/51/370480651.db2.gz MENCHCJORULVOT-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO Cc1nccnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000621732015 370485394 /nfs/dbraw/zinc/48/53/94/370485394.db2.gz KCCJJWMCPDBKEV-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nccnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000621732015 370485399 /nfs/dbraw/zinc/48/53/99/370485399.db2.gz KCCJJWMCPDBKEV-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621736997 370493017 /nfs/dbraw/zinc/49/30/17/370493017.db2.gz JYBLXTUHXJCHNE-JOYOIKCWSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621736997 370493020 /nfs/dbraw/zinc/49/30/20/370493020.db2.gz JYBLXTUHXJCHNE-JOYOIKCWSA-N 1 2 223.320 1.168 20 0 BDADLO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CCC1 ZINC000621932500 370606939 /nfs/dbraw/zinc/60/69/39/370606939.db2.gz FDRYCXBIEJJBDF-VIFPVBQESA-N 1 2 235.331 1.992 20 0 BDADLO CN(CC(F)F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621855626 370567060 /nfs/dbraw/zinc/56/70/60/370567060.db2.gz OSKHWBHIICOGAQ-UHFFFAOYSA-N 1 2 231.246 1.411 20 0 BDADLO COC(C)(C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621887354 370581235 /nfs/dbraw/zinc/58/12/35/370581235.db2.gz ZFPKTMCFDFNQBC-UHFFFAOYSA-N 1 2 239.319 1.229 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000115161443 370627424 /nfs/dbraw/zinc/62/74/24/370627424.db2.gz NPGNLGNMRFLWMR-MNOVXSKESA-N 1 2 233.315 1.656 20 0 BDADLO Cc1cc(CNC(=O)CCc2[nH]cc[nH+]2)ccn1 ZINC000622633187 371025101 /nfs/dbraw/zinc/02/51/01/371025101.db2.gz FMAQRLMFSSXPNG-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCC2CC2)c1 ZINC000622685896 371063475 /nfs/dbraw/zinc/06/34/75/371063475.db2.gz PCNDQTCDAXIHIO-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cc1ccncc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686026 371063995 /nfs/dbraw/zinc/06/39/95/371063995.db2.gz WPFVKLJWPXIEIN-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO COc1cncc(C[NH2+]Cc2cc(C)on2)c1C ZINC000631054748 371148419 /nfs/dbraw/zinc/14/84/19/371148419.db2.gz YVDZOSSTYXUIJD-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000569200207 326394719 /nfs/dbraw/zinc/39/47/19/326394719.db2.gz LHAMZOFIQAXVHB-PJXYFTJBSA-N 1 2 240.347 1.502 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000569200207 326394721 /nfs/dbraw/zinc/39/47/21/326394721.db2.gz LHAMZOFIQAXVHB-PJXYFTJBSA-N 1 2 240.347 1.502 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000124797408 371236576 /nfs/dbraw/zinc/23/65/76/371236576.db2.gz MEYQSWRVHJKECJ-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000124797408 371236580 /nfs/dbraw/zinc/23/65/80/371236580.db2.gz MEYQSWRVHJKECJ-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccnn2C)o1 ZINC000624017704 371253455 /nfs/dbraw/zinc/25/34/55/371253455.db2.gz CYEWYHZMMJDLGP-WDEREUQCSA-N 1 2 249.314 1.706 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccco1 ZINC000624018465 371253645 /nfs/dbraw/zinc/25/36/45/371253645.db2.gz RWXHHDINXPYVJD-ZJUUUORDSA-N 1 2 235.287 1.397 20 0 BDADLO C[C@H](CC(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC000624075413 371294249 /nfs/dbraw/zinc/29/42/49/371294249.db2.gz BPFBWEDABGHBOX-MRVPVSSYSA-N 1 2 249.236 1.588 20 0 BDADLO FCCn1cc(N[C@H]2CCn3cc[nH+]c32)cn1 ZINC000624127518 371328056 /nfs/dbraw/zinc/32/80/56/371328056.db2.gz JUIOPVNRUPZLBT-JTQLQIEISA-N 1 2 235.266 1.606 20 0 BDADLO C[C@H](O)CN(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631074085 371356562 /nfs/dbraw/zinc/35/65/62/371356562.db2.gz YNTNOYPDPCAVHC-QMMMGPOBSA-N 1 2 246.314 1.652 20 0 BDADLO Cc1nc(N(C)[C@H](C)c2ccccn2)nc(N)[nH+]1 ZINC000631079949 371489566 /nfs/dbraw/zinc/48/95/66/371489566.db2.gz QSYSMIYZEHCPJW-MRVPVSSYSA-N 1 2 244.302 1.185 20 0 BDADLO Cc1nc(N)nc(N(C)[C@H](C)c2ccccn2)[nH+]1 ZINC000631079949 371489570 /nfs/dbraw/zinc/48/95/70/371489570.db2.gz QSYSMIYZEHCPJW-MRVPVSSYSA-N 1 2 244.302 1.185 20 0 BDADLO Cc1nnc(C[NH2+][C@](C)(CO)c2ccccc2)o1 ZINC000225692588 371567517 /nfs/dbraw/zinc/56/75/17/371567517.db2.gz LFXNWOJBLSFNOE-CYBMUJFWSA-N 1 2 247.298 1.375 20 0 BDADLO CCO[C@@H](CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627366254 371585927 /nfs/dbraw/zinc/58/59/27/371585927.db2.gz MKXYMAMPKYVGQK-NSHDSACASA-N 1 2 237.303 1.110 20 0 BDADLO CCO[C@@H](CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627366254 371585930 /nfs/dbraw/zinc/58/59/30/371585930.db2.gz MKXYMAMPKYVGQK-NSHDSACASA-N 1 2 237.303 1.110 20 0 BDADLO CC1=C(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000627369173 371589110 /nfs/dbraw/zinc/58/91/10/371589110.db2.gz MOLZQYRQFRXXMG-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO CC1=C(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000627369173 371589114 /nfs/dbraw/zinc/58/91/14/371589114.db2.gz MOLZQYRQFRXXMG-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO CCc1[nH]ccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371752 371589776 /nfs/dbraw/zinc/58/97/76/371589776.db2.gz QHLFGEWPZCLTAM-UHFFFAOYSA-N 1 2 244.298 1.499 20 0 BDADLO CCc1[nH]ccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371752 371589784 /nfs/dbraw/zinc/58/97/84/371589784.db2.gz QHLFGEWPZCLTAM-UHFFFAOYSA-N 1 2 244.298 1.499 20 0 BDADLO CC[C@](C)(OC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371310 371589913 /nfs/dbraw/zinc/58/99/13/371589913.db2.gz ARPPOLZJCSEDOF-LBPRGKRZSA-N 1 2 237.303 1.110 20 0 BDADLO CC[C@](C)(OC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371310 371589918 /nfs/dbraw/zinc/58/99/18/371589918.db2.gz ARPPOLZJCSEDOF-LBPRGKRZSA-N 1 2 237.303 1.110 20 0 BDADLO CCc1cc(NCCc2nc(C)no2)nc[nH+]1 ZINC000226529741 371688721 /nfs/dbraw/zinc/68/87/21/371688721.db2.gz MJGPJMLBGXGITM-UHFFFAOYSA-N 1 2 233.275 1.385 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]1C)CC2 ZINC000627537374 371690138 /nfs/dbraw/zinc/69/01/38/371690138.db2.gz FZQWMMVRWZALCD-YUSALJHKSA-N 1 2 247.342 1.621 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N1CCCC1 ZINC000132553532 371860531 /nfs/dbraw/zinc/86/05/31/371860531.db2.gz LCQKWQMRKGJLLB-UHFFFAOYSA-N 1 2 236.319 1.469 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(F)(F)F ZINC000276495989 181834358 /nfs/dbraw/zinc/83/43/58/181834358.db2.gz HDZBNAPHUAGRGK-OWOJBTEDSA-N 1 2 219.166 1.101 20 0 BDADLO CCc1cc(N[C@@H](C)C[S@](C)=O)nc[nH+]1 ZINC000164199818 372119137 /nfs/dbraw/zinc/11/91/37/372119137.db2.gz FPDADIGZMAODTI-VXJOIVPMSA-N 1 2 227.333 1.218 20 0 BDADLO Cc1nocc1C(=O)NCCCCn1cc[nH+]c1 ZINC000631275336 372087578 /nfs/dbraw/zinc/08/75/78/372087578.db2.gz BXPGTHUIBUMCOW-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO CCCCc1cc(N[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000631196638 372228540 /nfs/dbraw/zinc/22/85/40/372228540.db2.gz UUKMRZPEMVTUDB-JTQLQIEISA-N 1 2 234.303 1.120 20 0 BDADLO Cc1nc(N2CC[C@]3(CC[C@H](C)C3)C2)nc(N)[nH+]1 ZINC000631204139 372233182 /nfs/dbraw/zinc/23/31/82/372233182.db2.gz YNMHMKSELCAUPJ-ZANVPECISA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@]3(CC[C@H](C)C3)C2)[nH+]1 ZINC000631204139 372233189 /nfs/dbraw/zinc/23/31/89/372233189.db2.gz YNMHMKSELCAUPJ-ZANVPECISA-N 1 2 247.346 1.609 20 0 BDADLO C[C@H]([NH2+]Cc1cscn1)[C@@H](O)C(F)(F)F ZINC000631233007 372253383 /nfs/dbraw/zinc/25/33/83/372253383.db2.gz WFCABOFQZFOBTA-CAHLUQPWSA-N 1 2 240.250 1.544 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3c2CCOC3)[nH]n1 ZINC000631244384 372257373 /nfs/dbraw/zinc/25/73/73/372257373.db2.gz RIZPWNJHBZMUND-UHFFFAOYSA-N 1 2 243.310 1.772 20 0 BDADLO CCCCc1cc(NCCC2CC(O)C2)nc[nH+]1 ZINC000631248243 372258781 /nfs/dbraw/zinc/25/87/81/372258781.db2.gz UHWRFTNDFXCLLN-UHFFFAOYSA-N 1 2 249.358 1.814 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)cc[nH+]1 ZINC000631253787 372262642 /nfs/dbraw/zinc/26/26/42/372262642.db2.gz KEYYWFONZZOXBG-JFGNBEQYSA-N 1 2 234.299 1.564 20 0 BDADLO O=C(CCCCO)Nc1ccc2[nH+]ccn2c1 ZINC000631256068 372264128 /nfs/dbraw/zinc/26/41/28/372264128.db2.gz UIXOZOLWYARRCE-UHFFFAOYSA-N 1 2 233.271 1.435 20 0 BDADLO Cc1nc(N2CCC[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631284138 372276555 /nfs/dbraw/zinc/27/65/55/372276555.db2.gz DQRCSMPZACKRPS-JTQLQIEISA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](C3CC3)C2)[nH+]1 ZINC000631284138 372276559 /nfs/dbraw/zinc/27/65/59/372276559.db2.gz DQRCSMPZACKRPS-JTQLQIEISA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(N2CCCc3occc3C2)nc(N)[nH+]1 ZINC000631286747 372278371 /nfs/dbraw/zinc/27/83/71/372278371.db2.gz CBUKFYOHLSZQPQ-UHFFFAOYSA-N 1 2 245.286 1.138 20 0 BDADLO Cc1nc(N)nc(N2CCCc3occc3C2)[nH+]1 ZINC000631286747 372278374 /nfs/dbraw/zinc/27/83/74/372278374.db2.gz CBUKFYOHLSZQPQ-UHFFFAOYSA-N 1 2 245.286 1.138 20 0 BDADLO Cc1cc(N(C)Cc2ccns2)nc[nH+]1 ZINC000631353585 372309359 /nfs/dbraw/zinc/30/93/59/372309359.db2.gz OGYRMEOPCGQQDR-UHFFFAOYSA-N 1 2 220.301 1.878 20 0 BDADLO Cc1nc(N2CCCC(F)(F)CC2)nc(N)[nH+]1 ZINC000631387316 372329513 /nfs/dbraw/zinc/32/95/13/372329513.db2.gz KUEQXFXMHSRAPE-UHFFFAOYSA-N 1 2 243.261 1.218 20 0 BDADLO Cc1nc(N)nc(N2CCCC(F)(F)CC2)[nH+]1 ZINC000631387316 372329521 /nfs/dbraw/zinc/32/95/21/372329521.db2.gz KUEQXFXMHSRAPE-UHFFFAOYSA-N 1 2 243.261 1.218 20 0 BDADLO CCCCc1cc(NCC2COC2)nc[nH+]1 ZINC000631391964 372332043 /nfs/dbraw/zinc/33/20/43/372332043.db2.gz OUBMTESBTNBAAS-UHFFFAOYSA-N 1 2 221.304 1.299 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000631464998 372378556 /nfs/dbraw/zinc/37/85/56/372378556.db2.gz PHWPMEIHGNLLRZ-SZEHBUNVSA-N 1 2 237.303 1.771 20 0 BDADLO Cc1cc(N(C)[C@H]2CCCCN(C)C2=O)nc[nH+]1 ZINC000631478609 372386123 /nfs/dbraw/zinc/38/61/23/372386123.db2.gz KMSMAQSDJGTJKY-NSHDSACASA-N 1 2 248.330 1.232 20 0 BDADLO CC[C@@]1(O)CCCN(c2[nH+]cccc2OC)C1 ZINC000631487070 372389865 /nfs/dbraw/zinc/38/98/65/372389865.db2.gz OPTTVMAKUVGUPE-CYBMUJFWSA-N 1 2 236.315 1.832 20 0 BDADLO Cc1nc(N2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000631533036 372413004 /nfs/dbraw/zinc/41/30/04/372413004.db2.gz IXBLWPYVYHEDEO-UPJWGTAASA-N 1 2 247.342 1.915 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC2(CCC2)C1 ZINC000283546618 181942008 /nfs/dbraw/zinc/94/20/08/181942008.db2.gz URLDFMCPEATWLU-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO CCC[C@@H](CC)Nc1nc(C)[nH+]c(N)n1 ZINC000379785208 373060990 /nfs/dbraw/zinc/06/09/90/373060990.db2.gz FBBAVXQLOXLAGH-MRVPVSSYSA-N 1 2 209.297 1.583 20 0 BDADLO CCC[C@@H](CC)Nc1nc(N)nc(C)[nH+]1 ZINC000379785208 373060992 /nfs/dbraw/zinc/06/09/92/373060992.db2.gz FBBAVXQLOXLAGH-MRVPVSSYSA-N 1 2 209.297 1.583 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCCCC1 ZINC000041292171 182059308 /nfs/dbraw/zinc/05/93/08/182059308.db2.gz ARXOXHNKYOEPPF-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCC(F)(F)F ZINC000266936412 182071188 /nfs/dbraw/zinc/07/11/88/182071188.db2.gz UJMJZHGPFYGKIW-UHFFFAOYSA-N 1 2 235.209 1.342 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc2c(c1)OCO2 ZINC000010809264 182071782 /nfs/dbraw/zinc/07/17/82/182071782.db2.gz MRVPDASSXZCZDQ-UHFFFAOYSA-N 1 2 245.238 1.251 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N(C)C1CCCC1 ZINC000632757234 373127200 /nfs/dbraw/zinc/12/72/00/373127200.db2.gz QGWKLMJIBFRWEQ-UHFFFAOYSA-N 1 2 236.319 1.836 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCC1CC1 ZINC000633058300 373272813 /nfs/dbraw/zinc/27/28/13/373272813.db2.gz GQZJAWSWDMNZGG-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO O=C(NC1=[NH+]CCS1)C1=CCCCC1 ZINC000126022153 182093876 /nfs/dbraw/zinc/09/38/76/182093876.db2.gz QGUBTLHYFIQQEL-UHFFFAOYSA-N 1 2 210.302 1.706 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1(C)CC1 ZINC000633064350 373279123 /nfs/dbraw/zinc/27/91/23/373279123.db2.gz ASTJHZRQCMLKHM-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO C[C@@H](NC(=O)CC1CSC1)c1[nH]cc[nH+]1 ZINC000633169941 373319581 /nfs/dbraw/zinc/31/95/81/373319581.db2.gz GNJJDBOQYBEZGZ-SSDOTTSWSA-N 1 2 225.317 1.340 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875318 182110448 /nfs/dbraw/zinc/11/04/48/182110448.db2.gz ROUNTJDLQGOSJJ-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875318 182110450 /nfs/dbraw/zinc/11/04/50/182110450.db2.gz ROUNTJDLQGOSJJ-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]1C(F)F ZINC000633234807 373382966 /nfs/dbraw/zinc/38/29/66/373382966.db2.gz DZDROGGYTAVEKP-MRVPVSSYSA-N 1 2 229.230 1.208 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]1C(F)F ZINC000633234807 373382970 /nfs/dbraw/zinc/38/29/70/373382970.db2.gz DZDROGGYTAVEKP-MRVPVSSYSA-N 1 2 229.230 1.208 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1conc1C ZINC000633290055 373452921 /nfs/dbraw/zinc/45/29/21/373452921.db2.gz UJMMZLDWLQBESY-VIFPVBQESA-N 1 2 248.286 1.690 20 0 BDADLO CC(C)(NC(=O)C1CSC1)c1[nH]cc[nH+]1 ZINC000633323840 373478188 /nfs/dbraw/zinc/47/81/88/373478188.db2.gz SZRNXMXZKSWQKJ-UHFFFAOYSA-N 1 2 225.317 1.124 20 0 BDADLO Cc1nocc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000633334504 373479973 /nfs/dbraw/zinc/47/99/73/373479973.db2.gz RPPIHHXKSSKXSH-OIBJUYFYSA-N 1 2 246.270 1.615 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C2CSC2)c2[nH+]ccn21 ZINC000633333824 373480303 /nfs/dbraw/zinc/48/03/03/373480303.db2.gz MBETWWBOMFAFPE-IONNQARKSA-N 1 2 237.328 1.368 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C2CSC2)c2[nH+]ccn21 ZINC000633333823 373480347 /nfs/dbraw/zinc/48/03/47/373480347.db2.gz MBETWWBOMFAFPE-CBAPKCEASA-N 1 2 237.328 1.368 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)F ZINC000633720539 373708707 /nfs/dbraw/zinc/70/87/07/373708707.db2.gz OOWHKJASVKTZGO-QMMMGPOBSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)F ZINC000633720539 373708715 /nfs/dbraw/zinc/70/87/15/373708715.db2.gz OOWHKJASVKTZGO-QMMMGPOBSA-N 1 2 227.283 1.453 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1cnc[nH]1 ZINC000265616812 182168859 /nfs/dbraw/zinc/16/88/59/182168859.db2.gz MKWXKIYQKKLSBY-UHFFFAOYSA-N 1 2 245.286 1.037 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC12CCCC2 ZINC000354385499 182178565 /nfs/dbraw/zinc/17/85/65/182178565.db2.gz MLWUWHVNNVBFRD-GFCCVEGCSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000634033493 373923580 /nfs/dbraw/zinc/92/35/80/373923580.db2.gz VKNURBXHYQEXTR-UTLUCORTSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NCc1ccccc1 ZINC000030989603 182214714 /nfs/dbraw/zinc/21/47/14/182214714.db2.gz QYRWFMCHCCNJDS-UHFFFAOYSA-N 1 2 244.298 1.383 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NCC1=CCCCC1 ZINC000296534580 182214913 /nfs/dbraw/zinc/21/49/13/182214913.db2.gz RYABSDPGUCOMJM-UHFFFAOYSA-N 1 2 248.330 1.683 20 0 BDADLO O=C(NC[C@H]1CC=CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375435246 182235368 /nfs/dbraw/zinc/23/53/68/182235368.db2.gz FYBYVMBFWCULDD-UWVGGRQHSA-N 1 2 244.285 1.456 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174349144 374184519 /nfs/dbraw/zinc/18/45/19/374184519.db2.gz RVFOMTXIKHBQSP-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174349144 374184527 /nfs/dbraw/zinc/18/45/27/374184527.db2.gz RVFOMTXIKHBQSP-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)NCC1CC1 ZINC000177913365 182263753 /nfs/dbraw/zinc/26/37/53/182263753.db2.gz TWXUXABOSOGDNW-UHFFFAOYSA-N 1 2 244.298 1.544 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1csc(C2CC2)n1 ZINC000114337579 182273956 /nfs/dbraw/zinc/27/39/56/182273956.db2.gz WVELSNJNNSBZPC-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO CCOCC[NH2+][C@H](C(=O)OCC)[C@H](C)CC ZINC000181636573 206010836 /nfs/dbraw/zinc/01/08/36/206010836.db2.gz ICKILOMRUXSBGR-MNOVXSKESA-N 1 2 231.336 1.590 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc2c1OCO2 ZINC000359687585 182270521 /nfs/dbraw/zinc/27/05/21/182270521.db2.gz XUTNHWSSKINPQR-UHFFFAOYSA-N 1 2 245.238 1.068 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc2c1OCO2 ZINC000359687585 182270524 /nfs/dbraw/zinc/27/05/24/182270524.db2.gz XUTNHWSSKINPQR-UHFFFAOYSA-N 1 2 245.238 1.068 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)N1CCn2c[nH+]cc2C1 ZINC000291135952 182289833 /nfs/dbraw/zinc/28/98/33/182289833.db2.gz WSNNIBVGYFPJOJ-LLVKDONJSA-N 1 2 246.314 1.517 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCC(C)(C)OC ZINC000435799985 206065504 /nfs/dbraw/zinc/06/55/04/206065504.db2.gz OIKKABDIHKZQEE-UHFFFAOYSA-N 1 2 249.318 1.683 20 0 BDADLO c1ncn(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000437628943 206067815 /nfs/dbraw/zinc/06/78/15/206067815.db2.gz SXNAGVJAKRZYFH-UHFFFAOYSA-N 1 2 239.282 1.571 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@H](F)CC ZINC000440486085 206078237 /nfs/dbraw/zinc/07/82/37/206078237.db2.gz JCOPXYDIZZXLRP-ZYHUDNBSSA-N 1 2 230.327 1.725 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@H](F)CC ZINC000440486085 206078242 /nfs/dbraw/zinc/07/82/42/206078242.db2.gz JCOPXYDIZZXLRP-ZYHUDNBSSA-N 1 2 230.327 1.725 20 0 BDADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC1 ZINC000270104314 182336448 /nfs/dbraw/zinc/33/64/48/182336448.db2.gz XFZDFBUGVXVHHD-NSHDSACASA-N 1 2 246.314 1.076 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1occc1C ZINC000459495017 206132258 /nfs/dbraw/zinc/13/22/58/206132258.db2.gz SYFSEQQMVOMKGK-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1occc1C ZINC000459495017 206132260 /nfs/dbraw/zinc/13/22/60/206132260.db2.gz SYFSEQQMVOMKGK-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)F)[C@@H]1SC ZINC000459545437 206133702 /nfs/dbraw/zinc/13/37/02/206133702.db2.gz LKOVNSOMDOSIFI-BHNWBGBOSA-N 1 2 225.304 1.750 20 0 BDADLO COC1(C)C[NH+](Cc2cnc3n[nH]c(C)c3c2)C1 ZINC000459581277 206135211 /nfs/dbraw/zinc/13/52/11/206135211.db2.gz KSAGIFZLJHKLGN-UHFFFAOYSA-N 1 2 246.314 1.487 20 0 BDADLO O=C(Nc1ccsc1)[C@@H]1CSC[NH2+]1 ZINC000085535099 182389732 /nfs/dbraw/zinc/38/97/32/182389732.db2.gz UCTMPQCPZSWYRL-ZETCQYMHSA-N 1 2 214.315 1.349 20 0 BDADLO O=C(Nc1ccccn1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363990130 182382058 /nfs/dbraw/zinc/38/20/58/182382058.db2.gz FZIKJLCQQVWGQO-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)CCn1cccn1 ZINC000112356619 170186562 /nfs/dbraw/zinc/18/65/62/170186562.db2.gz OQOPKEVIQFEKNV-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)CCn1cccn1 ZINC000112356619 170186563 /nfs/dbraw/zinc/18/65/63/170186563.db2.gz OQOPKEVIQFEKNV-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]CCCO ZINC000309041963 170188448 /nfs/dbraw/zinc/18/84/48/170188448.db2.gz LTRNTFYLMLIUMK-UHFFFAOYSA-N 1 2 217.309 1.080 20 0 BDADLO OCC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000291507661 183040992 /nfs/dbraw/zinc/04/09/92/183040992.db2.gz WPLFLNVHZCDUFN-UHFFFAOYSA-N 1 2 242.269 1.564 20 0 BDADLO OCC(F)(F)C[NH2+]C1CC(c2ccccn2)C1 ZINC000368025729 183034173 /nfs/dbraw/zinc/03/41/73/183034173.db2.gz YPCBRMOCIVNCCP-UHFFFAOYSA-N 1 2 242.269 1.545 20 0 BDADLO OCC1(CNc2cccc[nH+]2)CCOCC1 ZINC000164078803 183037084 /nfs/dbraw/zinc/03/70/84/183037084.db2.gz PIFHIYZUIKDRCV-UHFFFAOYSA-N 1 2 222.288 1.283 20 0 BDADLO OCC1(Nc2cc(N3CCCC3)nc[nH+]2)CCC1 ZINC000286366039 183039303 /nfs/dbraw/zinc/03/93/03/183039303.db2.gz XJIRSBNVGZKGOL-UHFFFAOYSA-N 1 2 248.330 1.404 20 0 BDADLO OCC1(Nc2cc(N3CCCC3)[nH+]cn2)CCC1 ZINC000286366039 183039307 /nfs/dbraw/zinc/03/93/07/183039307.db2.gz XJIRSBNVGZKGOL-UHFFFAOYSA-N 1 2 248.330 1.404 20 0 BDADLO OCCC[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000364371841 183057347 /nfs/dbraw/zinc/05/73/47/183057347.db2.gz XGHSJJWHTYWANF-UHFFFAOYSA-N 1 2 249.236 1.169 20 0 BDADLO OCCC[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000364371841 183057349 /nfs/dbraw/zinc/05/73/49/183057349.db2.gz XGHSJJWHTYWANF-UHFFFAOYSA-N 1 2 249.236 1.169 20 0 BDADLO OCCN(CC1CC1)c1cc[nH+]c(C2CC2)n1 ZINC000301475945 183065588 /nfs/dbraw/zinc/06/55/88/183065588.db2.gz OANNQGQZWMCSOX-UHFFFAOYSA-N 1 2 233.315 1.563 20 0 BDADLO OCC[N@H+](Cc1cnns1)Cc1ccccc1 ZINC000290168571 183069684 /nfs/dbraw/zinc/06/96/84/183069684.db2.gz YDOWENJLUHRSKU-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO OCC[N@@H+](Cc1cnns1)Cc1ccccc1 ZINC000290168571 183069687 /nfs/dbraw/zinc/06/96/87/183069687.db2.gz YDOWENJLUHRSKU-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO OCCN(c1[nH]c2ccccc2[nH+]1)C1CCC1 ZINC000221031446 183071650 /nfs/dbraw/zinc/07/16/50/183071650.db2.gz VXLPWNNVRQFLAY-UHFFFAOYSA-N 1 2 231.299 1.914 20 0 BDADLO OCC[C@H]([NH2+]Cc1cscn1)c1ccco1 ZINC000184517652 183097393 /nfs/dbraw/zinc/09/73/93/183097393.db2.gz PGZNTNVIWVPZIY-JTQLQIEISA-N 1 2 238.312 1.949 20 0 BDADLO OCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000184512413 183096753 /nfs/dbraw/zinc/09/67/53/183096753.db2.gz CSRQMKOSDRVWCZ-JTQLQIEISA-N 1 2 221.260 1.216 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000271720295 183090622 /nfs/dbraw/zinc/09/06/22/183090622.db2.gz WRCCJQSSSAIYHM-CYBMUJFWSA-N 1 2 232.283 1.888 20 0 BDADLO CCCC[C@H](COC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000358815334 169004527 /nfs/dbraw/zinc/00/45/27/169004527.db2.gz OBRQGPQRCDGNRY-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000309719344 169012668 /nfs/dbraw/zinc/01/26/68/169012668.db2.gz VJFDTGIWCJDJTC-VWYCJHECSA-N 1 2 231.336 1.731 20 0 BDADLO CCCCc1nnc(NCc2c[nH+]cn2C)o1 ZINC000181665859 169029420 /nfs/dbraw/zinc/02/94/20/169029420.db2.gz XLULVDCEWYAKSM-UHFFFAOYSA-N 1 2 235.291 1.758 20 0 BDADLO OC[C@H]1CCCC[N@H+](Cc2csnn2)C1 ZINC000377245255 183146833 /nfs/dbraw/zinc/14/68/33/183146833.db2.gz ZHLNXBIEWNQCQL-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@H]1CCCC[N@@H+](Cc2csnn2)C1 ZINC000377245255 183146835 /nfs/dbraw/zinc/14/68/35/183146835.db2.gz ZHLNXBIEWNQCQL-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCSC1 ZINC000373273658 183147070 /nfs/dbraw/zinc/14/70/70/183147070.db2.gz YDQQLKXSFPXAJP-DTWKUNHWSA-N 1 2 237.315 1.441 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCSC1 ZINC000373273658 183147072 /nfs/dbraw/zinc/14/70/72/183147072.db2.gz YDQQLKXSFPXAJP-DTWKUNHWSA-N 1 2 237.315 1.441 20 0 BDADLO OC[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112965403 183152313 /nfs/dbraw/zinc/15/23/13/183152313.db2.gz MUUUERIHPOSMJH-SNVBAGLBSA-N 1 2 219.288 1.315 20 0 BDADLO OCc1ccc(NC[C@@H]2CCCOC2)[nH+]c1 ZINC000336687962 183166301 /nfs/dbraw/zinc/16/63/01/183166301.db2.gz URLLJHSNMMERGG-NSHDSACASA-N 1 2 222.288 1.412 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000265579732 183197048 /nfs/dbraw/zinc/19/70/48/183197048.db2.gz MZCMVCAUWPSETH-NXEZZACHSA-N 1 2 219.288 1.679 20 0 BDADLO O[C@@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000336720948 183199942 /nfs/dbraw/zinc/19/99/42/183199942.db2.gz YRODSEYCEHEXBI-MRVPVSSYSA-N 1 2 249.236 1.012 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC000095077687 183194452 /nfs/dbraw/zinc/19/44/52/183194452.db2.gz JYGPSXRRYBXYND-MRVPVSSYSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC000095077687 183194453 /nfs/dbraw/zinc/19/44/53/183194453.db2.gz JYGPSXRRYBXYND-MRVPVSSYSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccn[nH]1 ZINC000273091288 183220356 /nfs/dbraw/zinc/22/03/56/183220356.db2.gz KYIFRSMEILGBQK-CQSZACIVSA-N 1 2 245.326 1.493 20 0 BDADLO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cocn1 ZINC000288570670 183215133 /nfs/dbraw/zinc/21/51/33/183215133.db2.gz NASGMXMXPDPTRW-WCQYABFASA-N 1 2 246.266 1.259 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000086776829 183239217 /nfs/dbraw/zinc/23/92/17/183239217.db2.gz UPBJLLMDHLDDFW-LURJTMIESA-N 1 2 218.709 1.363 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000086776829 183239218 /nfs/dbraw/zinc/23/92/18/183239218.db2.gz UPBJLLMDHLDDFW-LURJTMIESA-N 1 2 218.709 1.363 20 0 BDADLO CCCN(CC)C(=O)NCc1c[nH+]cn1C ZINC000360295352 169113558 /nfs/dbraw/zinc/11/35/58/169113558.db2.gz DPLSAIWACIMLRX-UHFFFAOYSA-N 1 2 224.308 1.362 20 0 BDADLO CCC[N@H+](CC)Cc1nsc(N(C)C)n1 ZINC000336653381 169131909 /nfs/dbraw/zinc/13/19/09/169131909.db2.gz YILCGXWLNTXMSS-UHFFFAOYSA-N 1 2 228.365 1.836 20 0 BDADLO CCC[N@@H+](CC)Cc1nsc(N(C)C)n1 ZINC000336653381 169131910 /nfs/dbraw/zinc/13/19/10/169131910.db2.gz YILCGXWLNTXMSS-UHFFFAOYSA-N 1 2 228.365 1.836 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](C3CC3)C2)[nH]1 ZINC000329642995 183306252 /nfs/dbraw/zinc/30/62/52/183306252.db2.gz IUKASHLEYOOKIM-VIFPVBQESA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@H](C3CC3)C2)[nH]1 ZINC000329642995 183306255 /nfs/dbraw/zinc/30/62/55/183306255.db2.gz IUKASHLEYOOKIM-VIFPVBQESA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCCCF)C2)[nH]1 ZINC000377603396 183306494 /nfs/dbraw/zinc/30/64/94/183306494.db2.gz FIRQEDMSHYEUNO-SECBINFHSA-N 1 2 242.298 1.439 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCCCF)C2)[nH]1 ZINC000377603396 183306497 /nfs/dbraw/zinc/30/64/97/183306497.db2.gz FIRQEDMSHYEUNO-SECBINFHSA-N 1 2 242.298 1.439 20 0 BDADLO CCCN(CCO)c1nc(C)[nH+]c2c1CCCC2 ZINC000272902371 169169058 /nfs/dbraw/zinc/16/90/58/169169058.db2.gz PVVVIWXKLGNBRR-UHFFFAOYSA-N 1 2 249.358 1.873 20 0 BDADLO CCC[N@H+](CCn1cncn1)CC(F)F ZINC000336642557 169171609 /nfs/dbraw/zinc/17/16/09/169171609.db2.gz AFPZHTDBGKXAEU-UHFFFAOYSA-N 1 2 218.251 1.255 20 0 BDADLO CCC[N@@H+](CCn1cncn1)CC(F)F ZINC000336642557 169171611 /nfs/dbraw/zinc/17/16/11/169171611.db2.gz AFPZHTDBGKXAEU-UHFFFAOYSA-N 1 2 218.251 1.255 20 0 BDADLO c1cn2ccc(CNc3cnccn3)cc2[nH+]1 ZINC000357415506 183323271 /nfs/dbraw/zinc/32/32/71/183323271.db2.gz FSESKTYOXOGRMW-UHFFFAOYSA-N 1 2 225.255 1.158 20 0 BDADLO c1c[nH+]c(CNc2ccc3c(c2)OCCO3)[nH]1 ZINC000049714549 183324369 /nfs/dbraw/zinc/32/43/69/183324369.db2.gz NLFAKLUEOFWKDD-UHFFFAOYSA-N 1 2 231.255 1.793 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2cocn2)[nH]1 ZINC000330328500 183326944 /nfs/dbraw/zinc/32/69/44/183326944.db2.gz LRVMANJAYZVEDW-JTQLQIEISA-N 1 2 218.260 1.735 20 0 BDADLO c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000336495840 183327431 /nfs/dbraw/zinc/32/74/31/183327431.db2.gz NXTMTGNPGYLGME-CHWSQXEVSA-N 1 2 248.374 1.589 20 0 BDADLO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nncs1 ZINC000124394133 169199738 /nfs/dbraw/zinc/19/97/38/169199738.db2.gz NQSTZNHEYJYGCR-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CCC[N@H+]1CCC[C@H]1C(=O)Nc1nncs1 ZINC000124394133 169199739 /nfs/dbraw/zinc/19/97/39/169199739.db2.gz NQSTZNHEYJYGCR-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000158207359 169205006 /nfs/dbraw/zinc/20/50/06/169205006.db2.gz KJRHPEXRZWKCRC-LLVKDONJSA-N 1 2 237.299 1.963 20 0 BDADLO CCC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000158207359 169205008 /nfs/dbraw/zinc/20/50/08/169205008.db2.gz KJRHPEXRZWKCRC-LLVKDONJSA-N 1 2 237.299 1.963 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](C)c1cc(C)on1 ZINC000282773561 169228689 /nfs/dbraw/zinc/22/86/89/169228689.db2.gz PATUAWNAPXGDAQ-SECBINFHSA-N 1 2 225.292 1.160 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)on1 ZINC000334142705 183343838 /nfs/dbraw/zinc/34/38/38/183343838.db2.gz AYLJJAFYAAFTSZ-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)on1 ZINC000334142705 183343840 /nfs/dbraw/zinc/34/38/40/183343840.db2.gz AYLJJAFYAAFTSZ-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)n[nH]1 ZINC000354739446 183344459 /nfs/dbraw/zinc/34/44/59/183344459.db2.gz YMTPIYYYTNMUIO-CYBMUJFWSA-N 1 2 235.331 1.801 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)n[nH]1 ZINC000354739446 183344461 /nfs/dbraw/zinc/34/44/61/183344461.db2.gz YMTPIYYYTNMUIO-CYBMUJFWSA-N 1 2 235.331 1.801 20 0 BDADLO c1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)n[nH]1 ZINC000268867163 183353619 /nfs/dbraw/zinc/35/36/19/183353619.db2.gz UHLZBANYNGOYFN-JTQLQIEISA-N 1 2 217.276 1.300 20 0 BDADLO c1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)n[nH]1 ZINC000268867163 183353620 /nfs/dbraw/zinc/35/36/20/183353620.db2.gz UHLZBANYNGOYFN-JTQLQIEISA-N 1 2 217.276 1.300 20 0 BDADLO CCCNC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122327741 169220257 /nfs/dbraw/zinc/22/02/57/169220257.db2.gz UWVPLWULGCMHAU-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO CCCNC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122327741 169220258 /nfs/dbraw/zinc/22/02/58/169220258.db2.gz UWVPLWULGCMHAU-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO c1nnnn1-c1ccc([NH2+]CC2CC2)cc1 ZINC000036882414 183335495 /nfs/dbraw/zinc/33/54/95/183335495.db2.gz FBPVVWAWKWADIC-UHFFFAOYSA-N 1 2 215.260 1.484 20 0 BDADLO c1cc(CC[N@@H+]2CCOC[C@@]23CCOC3)ccn1 ZINC000193665278 183336294 /nfs/dbraw/zinc/33/62/94/183336294.db2.gz YKKCYISTETWBNX-AWEZNQCLSA-N 1 2 248.326 1.115 20 0 BDADLO c1cc(CC[N@H+]2CCOC[C@@]23CCOC3)ccn1 ZINC000193665278 183336296 /nfs/dbraw/zinc/33/62/96/183336296.db2.gz YKKCYISTETWBNX-AWEZNQCLSA-N 1 2 248.326 1.115 20 0 BDADLO CCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000047676730 169237301 /nfs/dbraw/zinc/23/73/01/169237301.db2.gz DXRCATTWHZWIBN-UHFFFAOYSA-N 1 2 236.319 1.357 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCc2ncccc2C1 ZINC000367856618 169241359 /nfs/dbraw/zinc/24/13/59/169241359.db2.gz DEBXNASWNJTQFI-LLVKDONJSA-N 1 2 247.342 1.354 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCc2ncccc2C1 ZINC000367856618 169241360 /nfs/dbraw/zinc/24/13/60/169241360.db2.gz DEBXNASWNJTQFI-LLVKDONJSA-N 1 2 247.342 1.354 20 0 BDADLO CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375239387 169245086 /nfs/dbraw/zinc/24/50/86/169245086.db2.gz MULDRQQJCBOCLZ-VXGBXAGGSA-N 1 2 247.342 1.680 20 0 BDADLO c1ccc(-n2nnnc2C[NH+]2CCCCC2)cc1 ZINC000061803920 183387472 /nfs/dbraw/zinc/38/74/72/183387472.db2.gz GMHUYJIGGPXBMX-UHFFFAOYSA-N 1 2 243.314 1.648 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOCC[C@@H]1C ZINC000378506163 169298413 /nfs/dbraw/zinc/29/84/13/169298413.db2.gz QZSFXWILLWGHCJ-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOCC[C@@H]1C ZINC000378506163 169298415 /nfs/dbraw/zinc/29/84/15/169298415.db2.gz QZSFXWILLWGHCJ-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)CCNc1cc[nH+]c(C)n1 ZINC000266428618 169297825 /nfs/dbraw/zinc/29/78/25/169297825.db2.gz TZHOUWQJTNIBAK-UHFFFAOYSA-N 1 2 223.276 1.540 20 0 BDADLO CCCSCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299065009 169338328 /nfs/dbraw/zinc/33/83/28/169338328.db2.gz QTNKUWLPTIGNOV-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO CCC[C@@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC000298479529 169366575 /nfs/dbraw/zinc/36/65/75/169366575.db2.gz UCEXRRDSJWIDSR-SECBINFHSA-N 1 2 233.319 1.988 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338592209 169347053 /nfs/dbraw/zinc/34/70/53/169347053.db2.gz LBLYKCRABYGJKX-JQWIXIFHSA-N 1 2 247.310 1.125 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338592209 169347055 /nfs/dbraw/zinc/34/70/55/169347055.db2.gz LBLYKCRABYGJKX-JQWIXIFHSA-N 1 2 247.310 1.125 20 0 BDADLO CCC[C@@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295808748 169351367 /nfs/dbraw/zinc/35/13/67/169351367.db2.gz SLDUNASRZVBBPV-SNVBAGLBSA-N 1 2 223.320 1.955 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1ccco1 ZINC000222034218 134329174 /nfs/dbraw/zinc/32/91/74/134329174.db2.gz APUYIJYVNJJMEB-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CC[C@@H]1CC[N@H+](Cc2noc(COC)n2)C1 ZINC000182548459 134345940 /nfs/dbraw/zinc/34/59/40/134345940.db2.gz RRVNOAXMFKFARZ-SECBINFHSA-N 1 2 225.292 1.448 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000182548459 134345941 /nfs/dbraw/zinc/34/59/41/134345941.db2.gz RRVNOAXMFKFARZ-SECBINFHSA-N 1 2 225.292 1.448 20 0 BDADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1cccs1 ZINC000194426275 259620769 /nfs/dbraw/zinc/62/07/69/259620769.db2.gz OUKQINLZZIPLMH-QMMMGPOBSA-N 1 2 237.332 1.513 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336100812 535463441 /nfs/dbraw/zinc/46/34/41/535463441.db2.gz JLBANXMRMNUBEG-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1cnc(NCCn2cc[nH+]c2)nc1C ZINC000131691418 383837029 /nfs/dbraw/zinc/83/70/29/383837029.db2.gz CBSZDEMNFZPHGJ-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO c1c[nH+]c(CN2CCN(c3ccccn3)CC2)[nH]1 ZINC000111192450 383839901 /nfs/dbraw/zinc/83/99/01/383839901.db2.gz KGMRJOMEEXNTQA-UHFFFAOYSA-N 1 2 243.314 1.127 20 0 BDADLO CCCCc1noc(C[N@H+](C)CCCOC)n1 ZINC000066378703 383861562 /nfs/dbraw/zinc/86/15/62/383861562.db2.gz HUJKZHFDAGHHNA-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CCCOC)n1 ZINC000066378703 383861568 /nfs/dbraw/zinc/86/15/68/383861568.db2.gz HUJKZHFDAGHHNA-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000449493820 383867852 /nfs/dbraw/zinc/86/78/52/383867852.db2.gz MHIILLWNHFMQGG-GWCFXTLKSA-N 1 2 237.347 1.965 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000449493820 383867857 /nfs/dbraw/zinc/86/78/57/383867857.db2.gz MHIILLWNHFMQGG-GWCFXTLKSA-N 1 2 237.347 1.965 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000066666385 383877448 /nfs/dbraw/zinc/87/74/48/383877448.db2.gz BHUZCXBDSFEKRN-GFCCVEGCSA-N 1 2 233.315 1.038 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000066666385 383877455 /nfs/dbraw/zinc/87/74/55/383877455.db2.gz BHUZCXBDSFEKRN-GFCCVEGCSA-N 1 2 233.315 1.038 20 0 BDADLO CCC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000291120738 383913224 /nfs/dbraw/zinc/91/32/24/383913224.db2.gz UYFPFESCVCEIDV-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CCC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000291120738 383913228 /nfs/dbraw/zinc/91/32/28/383913228.db2.gz UYFPFESCVCEIDV-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCOC1 ZINC000069353544 383917157 /nfs/dbraw/zinc/91/71/57/383917157.db2.gz UXUWHGKXMUUINC-SECBINFHSA-N 1 2 235.287 1.123 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000085494463 383884024 /nfs/dbraw/zinc/88/40/24/383884024.db2.gz KAQARGPZPUTKTE-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1cc(O)cc(F)c1 ZINC000223768374 383886794 /nfs/dbraw/zinc/88/67/94/383886794.db2.gz HESXGIXBOIPXIR-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO Cn1cc(CCNc2cc[nH+]c(C3CC3)n2)cn1 ZINC000112074990 383894002 /nfs/dbraw/zinc/89/40/02/383894002.db2.gz KKVMDOHXJAMXLI-UHFFFAOYSA-N 1 2 243.314 1.742 20 0 BDADLO CC1(C)CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)O1 ZINC000335855679 384024345 /nfs/dbraw/zinc/02/43/45/384024345.db2.gz QYOLYBAFQNDXKU-SNVBAGLBSA-N 1 2 249.314 1.183 20 0 BDADLO COc1cccc(NC(=O)Cn2cc[nH+]c2)c1O ZINC000558494664 384042897 /nfs/dbraw/zinc/04/28/97/384042897.db2.gz INZAITBZZJXCCC-UHFFFAOYSA-N 1 2 247.254 1.236 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310094307 384044988 /nfs/dbraw/zinc/04/49/88/384044988.db2.gz HERIJVGVETWQAW-SNVBAGLBSA-N 1 2 243.347 1.421 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310094307 384044991 /nfs/dbraw/zinc/04/49/91/384044991.db2.gz HERIJVGVETWQAW-SNVBAGLBSA-N 1 2 243.347 1.421 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000077111533 384053622 /nfs/dbraw/zinc/05/36/22/384053622.db2.gz YRRSARNJYYNHQJ-ZETCQYMHSA-N 1 2 225.210 1.576 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC000077111533 384053623 /nfs/dbraw/zinc/05/36/23/384053623.db2.gz YRRSARNJYYNHQJ-ZETCQYMHSA-N 1 2 225.210 1.576 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]cc[nH+]2)s1 ZINC000114337372 384033203 /nfs/dbraw/zinc/03/32/03/384033203.db2.gz WVRLELGZTFKISF-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCCCO1 ZINC000114461053 384039177 /nfs/dbraw/zinc/03/91/77/384039177.db2.gz SGXROWLDPRORRQ-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCCCO1 ZINC000114461053 384039182 /nfs/dbraw/zinc/03/91/82/384039182.db2.gz SGXROWLDPRORRQ-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO COC(=O)C[N@H+](Cc1ccco1)C(C)C ZINC000050063590 384104843 /nfs/dbraw/zinc/10/48/43/384104843.db2.gz YSCDMJSYQUYQSR-UHFFFAOYSA-N 1 2 211.261 1.663 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccco1)C(C)C ZINC000050063590 384104844 /nfs/dbraw/zinc/10/48/44/384104844.db2.gz YSCDMJSYQUYQSR-UHFFFAOYSA-N 1 2 211.261 1.663 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1nccs1 ZINC000070733181 384134584 /nfs/dbraw/zinc/13/45/84/384134584.db2.gz JFXOIMQJWMWSPF-MRVPVSSYSA-N 1 2 239.344 1.320 20 0 BDADLO CCN(CCO)c1[nH+]c2ccccc2n1C ZINC000070609152 384124355 /nfs/dbraw/zinc/12/43/55/384124355.db2.gz CLFHXMANSLLTCA-UHFFFAOYSA-N 1 2 219.288 1.392 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCO[C@@H](C)C1 ZINC000569504685 384137838 /nfs/dbraw/zinc/13/78/38/384137838.db2.gz XEYSINSFRMJGLL-JQWIXIFHSA-N 1 2 235.331 1.742 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)o1 ZINC000091863887 384151952 /nfs/dbraw/zinc/15/19/52/384151952.db2.gz UKRNWPJHPMOWTP-JTQLQIEISA-N 1 2 249.314 1.051 20 0 BDADLO CCc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)o1 ZINC000091863887 384151956 /nfs/dbraw/zinc/15/19/56/384151956.db2.gz UKRNWPJHPMOWTP-JTQLQIEISA-N 1 2 249.314 1.051 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cc(F)ccc1F ZINC000071140820 384152625 /nfs/dbraw/zinc/15/26/25/384152625.db2.gz VWUVFIVPHWHMDE-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cc1noc(C(C)C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000070990046 384145972 /nfs/dbraw/zinc/14/59/72/384145972.db2.gz GQYSKRRBQDKOEP-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628117676 384174803 /nfs/dbraw/zinc/17/48/03/384174803.db2.gz QZBVCNIHQVNNML-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628117676 384174805 /nfs/dbraw/zinc/17/48/05/384174805.db2.gz QZBVCNIHQVNNML-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995207 384159762 /nfs/dbraw/zinc/15/97/62/384159762.db2.gz CJFTYHWCHQBVBO-NWDGAFQWSA-N 1 2 239.315 1.732 20 0 BDADLO CC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995207 384159765 /nfs/dbraw/zinc/15/97/65/384159765.db2.gz CJFTYHWCHQBVBO-NWDGAFQWSA-N 1 2 239.315 1.732 20 0 BDADLO CCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000530957629 384161087 /nfs/dbraw/zinc/16/10/87/384161087.db2.gz SKBSDKYWEOIPAP-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000560506378 384177929 /nfs/dbraw/zinc/17/79/29/384177929.db2.gz WGYNRVPOTRFPCW-SFYZADRCSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000560506378 384177931 /nfs/dbraw/zinc/17/79/31/384177931.db2.gz WGYNRVPOTRFPCW-SFYZADRCSA-N 1 2 213.281 1.406 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647260542 384181764 /nfs/dbraw/zinc/18/17/64/384181764.db2.gz IXKMBLVJLQDMML-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000472343750 533044269 /nfs/dbraw/zinc/04/42/69/533044269.db2.gz BXCXAWMCOLPISD-NSHDSACASA-N 1 2 222.288 1.421 20 0 BDADLO CSCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000007943786 384189501 /nfs/dbraw/zinc/18/95/01/384189501.db2.gz XQAAFOVOBNYOSG-UHFFFAOYSA-N 1 2 235.312 1.314 20 0 BDADLO FC1(F)COCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000336590778 384189678 /nfs/dbraw/zinc/18/96/78/384189678.db2.gz PJOPKKCOIIHDOE-SNVBAGLBSA-N 1 2 235.274 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000336590778 384189681 /nfs/dbraw/zinc/18/96/81/384189681.db2.gz PJOPKKCOIIHDOE-SNVBAGLBSA-N 1 2 235.274 1.381 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)o1 ZINC000092703095 384189845 /nfs/dbraw/zinc/18/98/45/384189845.db2.gz COEJPWSGXLIRGN-STQMWFEESA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)o1 ZINC000092703095 384189847 /nfs/dbraw/zinc/18/98/47/384189847.db2.gz COEJPWSGXLIRGN-STQMWFEESA-N 1 2 248.326 1.831 20 0 BDADLO CC(F)(F)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631141971 384192571 /nfs/dbraw/zinc/19/25/71/384192571.db2.gz ATPRGMAVRNOAOP-UHFFFAOYSA-N 1 2 202.204 1.532 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2nncn2C)CCS1 ZINC000173864464 384230242 /nfs/dbraw/zinc/23/02/42/384230242.db2.gz ALRKGSGLXTYRRL-SNVBAGLBSA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2nncn2C)CCS1 ZINC000173864464 384230245 /nfs/dbraw/zinc/23/02/45/384230245.db2.gz ALRKGSGLXTYRRL-SNVBAGLBSA-N 1 2 240.376 1.389 20 0 BDADLO Nc1nc(Cl)cc(NCCn2cc[nH+]c2)n1 ZINC000082190368 384217920 /nfs/dbraw/zinc/21/79/20/384217920.db2.gz DQOUOWHWBBPKQQ-UHFFFAOYSA-N 1 2 238.682 1.021 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000082432322 384227193 /nfs/dbraw/zinc/22/71/93/384227193.db2.gz FUBVQCKPHLGRDC-SSDOTTSWSA-N 1 2 227.226 1.822 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000082432322 384227198 /nfs/dbraw/zinc/22/71/98/384227198.db2.gz FUBVQCKPHLGRDC-SSDOTTSWSA-N 1 2 227.226 1.822 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000072588715 384227295 /nfs/dbraw/zinc/22/72/95/384227295.db2.gz OXJYHQUEIGXGTF-ZDUSSCGKSA-N 1 2 249.310 1.357 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc[nH]n1 ZINC000093340355 384228359 /nfs/dbraw/zinc/22/83/59/384228359.db2.gz BLETVAJKWKVZCK-GFCCVEGCSA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc[nH]n1 ZINC000093340355 384228365 /nfs/dbraw/zinc/22/83/65/384228365.db2.gz BLETVAJKWKVZCK-GFCCVEGCSA-N 1 2 223.320 1.657 20 0 BDADLO Cc1nc(CC[N@H+]2CCOC[C@H]2C)cs1 ZINC000119067214 384229476 /nfs/dbraw/zinc/22/94/76/384229476.db2.gz AAIOPSBMKSMEKX-SECBINFHSA-N 1 2 226.345 1.715 20 0 BDADLO Cc1nc(CC[N@@H+]2CCOC[C@H]2C)cs1 ZINC000119067214 384229481 /nfs/dbraw/zinc/22/94/81/384229481.db2.gz AAIOPSBMKSMEKX-SECBINFHSA-N 1 2 226.345 1.715 20 0 BDADLO CCC[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093508688 384246544 /nfs/dbraw/zinc/24/65/44/384246544.db2.gz UKGUBAFBUDDNEA-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCCCO1 ZINC000042822950 384247388 /nfs/dbraw/zinc/24/73/88/384247388.db2.gz ANIXFOSULYIIEC-VIFPVBQESA-N 1 2 247.302 1.344 20 0 BDADLO CCc1cc(N2CC[C@H]2COC)nc(C)[nH+]1 ZINC000292662306 384250248 /nfs/dbraw/zinc/25/02/48/384250248.db2.gz AJCHMXIWFLFXTP-NSHDSACASA-N 1 2 221.304 1.573 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(C)[nH+]1 ZINC000119247919 384251040 /nfs/dbraw/zinc/25/10/40/384251040.db2.gz QZIDMTXKVNNGNO-SNVBAGLBSA-N 1 2 247.298 1.115 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCCCO1 ZINC000119794841 384304480 /nfs/dbraw/zinc/30/44/80/384304480.db2.gz QIDVPOXRZJMCIK-LLVKDONJSA-N 1 2 249.314 1.655 20 0 BDADLO FC(F)COCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376415061 384309503 /nfs/dbraw/zinc/30/95/03/384309503.db2.gz NMBIZLZPLOPCQU-DTORHVGOSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)COCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376415061 384309509 /nfs/dbraw/zinc/30/95/09/384309509.db2.gz NMBIZLZPLOPCQU-DTORHVGOSA-N 1 2 221.247 1.131 20 0 BDADLO CC[N@H+](Cc1cccc(OC)n1)C1COC1 ZINC000449423992 384319452 /nfs/dbraw/zinc/31/94/52/384319452.db2.gz IVKBOHGHNWBGBL-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@@H+](Cc1cccc(OC)n1)C1COC1 ZINC000449423992 384319458 /nfs/dbraw/zinc/31/94/58/384319458.db2.gz IVKBOHGHNWBGBL-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CCCC1(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000304418119 384284275 /nfs/dbraw/zinc/28/42/75/384284275.db2.gz DDNOTNAMAIBUBC-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO CCCC1(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000304418119 384284280 /nfs/dbraw/zinc/28/42/80/384284280.db2.gz DDNOTNAMAIBUBC-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO COc1cncc(C[NH2+]CC(F)F)c1C ZINC000631133385 384286080 /nfs/dbraw/zinc/28/60/80/384286080.db2.gz BOQGOHVHJSFGAA-UHFFFAOYSA-N 1 2 216.231 1.753 20 0 BDADLO COC[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000119679275 384294766 /nfs/dbraw/zinc/29/47/66/384294766.db2.gz OVPWFKIZDZPSED-GFCCVEGCSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)NC1CC1 ZINC000120362045 384350282 /nfs/dbraw/zinc/35/02/82/384350282.db2.gz XCXHZJJPOUUHTG-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000120362045 384350287 /nfs/dbraw/zinc/35/02/87/384350287.db2.gz XCXHZJJPOUUHTG-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000304523910 384353363 /nfs/dbraw/zinc/35/33/63/384353363.db2.gz SLPAJAFFRAHDIA-OCAPTIKFSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000304523910 384353367 /nfs/dbraw/zinc/35/33/67/384353367.db2.gz SLPAJAFFRAHDIA-OCAPTIKFSA-N 1 2 221.308 1.245 20 0 BDADLO C[N@H+](CCO)Cc1ccncc1Cl ZINC000084087758 384364302 /nfs/dbraw/zinc/36/43/02/384364302.db2.gz FHBHLFVVVICDET-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO C[N@@H+](CCO)Cc1ccncc1Cl ZINC000084087758 384364308 /nfs/dbraw/zinc/36/43/08/384364308.db2.gz FHBHLFVVVICDET-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO Cc1nc(NCCOCCC(C)C)nc(N)[nH+]1 ZINC000302591188 384374830 /nfs/dbraw/zinc/37/48/30/384374830.db2.gz GOQMNNMOGMTEON-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO Cc1nc(N)nc(NCCOCCC(C)C)[nH+]1 ZINC000302591188 384374836 /nfs/dbraw/zinc/37/48/36/384374836.db2.gz GOQMNNMOGMTEON-UHFFFAOYSA-N 1 2 239.323 1.237 20 0 BDADLO COC(=O)C1([N@H+](C)Cc2ccccn2)CCCC1 ZINC000159315905 384323494 /nfs/dbraw/zinc/32/34/94/384323494.db2.gz SNUTVDLZOYSSIO-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)C1([N@@H+](C)Cc2ccccn2)CCCC1 ZINC000159315905 384323496 /nfs/dbraw/zinc/32/34/96/384323496.db2.gz SNUTVDLZOYSSIO-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO Cc1cc(C[N@H+](C)CC[C@@H]2CCOC2=O)no1 ZINC000120140954 384331126 /nfs/dbraw/zinc/33/11/26/384331126.db2.gz QASMZKQYYCXGLR-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO Cc1cc(C[N@@H+](C)CC[C@@H]2CCOC2=O)no1 ZINC000120140954 384331132 /nfs/dbraw/zinc/33/11/32/384331132.db2.gz QASMZKQYYCXGLR-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO Cc1cc(C[N@H+](C)CC[C@H]2CCOC2=O)no1 ZINC000120141143 384331709 /nfs/dbraw/zinc/33/17/09/384331709.db2.gz QASMZKQYYCXGLR-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO Cc1cc(C[N@@H+](C)CC[C@H]2CCOC2=O)no1 ZINC000120141143 384331716 /nfs/dbraw/zinc/33/17/16/384331716.db2.gz QASMZKQYYCXGLR-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO O=C(c1ccon1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120195611 384333413 /nfs/dbraw/zinc/33/34/13/384333413.db2.gz VHWFSFNWXNVGAG-SNVBAGLBSA-N 1 2 246.270 1.765 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2nc[nH+]c(N)c2Cl)C1 ZINC000235419588 384393025 /nfs/dbraw/zinc/39/30/25/384393025.db2.gz NNLOQCLMQHQRLE-RQJHMYQMSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2[nH+]cnc(N)c2Cl)C1 ZINC000235419588 384393034 /nfs/dbraw/zinc/39/30/34/384393034.db2.gz NNLOQCLMQHQRLE-RQJHMYQMSA-N 1 2 226.711 1.947 20 0 BDADLO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(F)F)n1 ZINC000625753869 384400229 /nfs/dbraw/zinc/40/02/29/384400229.db2.gz RECNVYVISNFCDE-JTQLQIEISA-N 1 2 244.289 1.624 20 0 BDADLO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(F)F)n1 ZINC000625753869 384400234 /nfs/dbraw/zinc/40/02/34/384400234.db2.gz RECNVYVISNFCDE-JTQLQIEISA-N 1 2 244.289 1.624 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCOCC1 ZINC000121350425 384413507 /nfs/dbraw/zinc/41/35/07/384413507.db2.gz PXVCGCYONHQDDC-UHFFFAOYSA-N 1 2 221.260 1.254 20 0 BDADLO CC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CCS1 ZINC000304566882 384417178 /nfs/dbraw/zinc/41/71/78/384417178.db2.gz ZLFOVNWDPZREAV-QMMMGPOBSA-N 1 2 239.348 1.094 20 0 BDADLO CC[C@H]1CN(c2nc(N)nc(C)[nH+]2)CCS1 ZINC000304566882 384417186 /nfs/dbraw/zinc/41/71/86/384417186.db2.gz ZLFOVNWDPZREAV-QMMMGPOBSA-N 1 2 239.348 1.094 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1CCOC1 ZINC000135253332 384427243 /nfs/dbraw/zinc/42/72/43/384427243.db2.gz PAYVTQNLAWOCAM-BDAKNGLRSA-N 1 2 247.302 1.200 20 0 BDADLO Cc1ccc(NCc2csnn2)c[nH+]1 ZINC000096033364 384424506 /nfs/dbraw/zinc/42/45/06/384424506.db2.gz YUJNQWCXUUUKDZ-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO COc1ncncc1C[NH2+]Cc1cccc(C)n1 ZINC000647172823 384425572 /nfs/dbraw/zinc/42/55/72/384425572.db2.gz KKABTZVLWNIDCI-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCO1 ZINC000121919824 384444976 /nfs/dbraw/zinc/44/49/76/384444976.db2.gz NFRKEUGEHISFSS-JTQLQIEISA-N 1 2 235.287 1.691 20 0 BDADLO c1cn(CCSc2nncn2C2CC2)c[nH+]1 ZINC000121887900 384445568 /nfs/dbraw/zinc/44/55/68/384445568.db2.gz LAXCAQUQVJACKJ-UHFFFAOYSA-N 1 2 235.316 1.602 20 0 BDADLO CC[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CCO1 ZINC000233944166 384452078 /nfs/dbraw/zinc/45/20/78/384452078.db2.gz JLFCSNKJSOTTPN-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO CC[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CCO1 ZINC000233944166 384452084 /nfs/dbraw/zinc/45/20/84/384452084.db2.gz JLFCSNKJSOTTPN-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO O=C1NCC[C@]12CCC[N@H+]2Cc1ccc(F)cn1 ZINC000568176914 384455354 /nfs/dbraw/zinc/45/53/54/384455354.db2.gz IGJLRBCOUKMMON-CYBMUJFWSA-N 1 2 249.289 1.075 20 0 BDADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1ccc(F)cn1 ZINC000568176914 384455361 /nfs/dbraw/zinc/45/53/61/384455361.db2.gz IGJLRBCOUKMMON-CYBMUJFWSA-N 1 2 249.289 1.075 20 0 BDADLO Cc1ccc(C[NH+]2CCS(=O)CC2)c(C)c1 ZINC000119413751 384438782 /nfs/dbraw/zinc/43/87/82/384438782.db2.gz AHWJHRKWAXJZDQ-UHFFFAOYSA-N 1 2 237.368 1.868 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)OCC(C)C)cc[nH+]1 ZINC000521388280 384441097 /nfs/dbraw/zinc/44/10/97/384441097.db2.gz AVZXAZJRLCPKDV-LLVKDONJSA-N 1 2 236.315 1.812 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000568164357 384441678 /nfs/dbraw/zinc/44/16/78/384441678.db2.gz QOJQKJWJNDVWCH-MNOVXSKESA-N 1 2 231.299 1.562 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000568164357 384441681 /nfs/dbraw/zinc/44/16/81/384441681.db2.gz QOJQKJWJNDVWCH-MNOVXSKESA-N 1 2 231.299 1.562 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102409808 384460948 /nfs/dbraw/zinc/46/09/48/384460948.db2.gz IQKKAMHRVLCLCH-LBPRGKRZSA-N 1 2 245.330 1.454 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000102409808 384460955 /nfs/dbraw/zinc/46/09/55/384460955.db2.gz IQKKAMHRVLCLCH-LBPRGKRZSA-N 1 2 245.330 1.454 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000556738463 384468973 /nfs/dbraw/zinc/46/89/73/384468973.db2.gz HUZQCYMPCDBBQD-OUAUKWLOSA-N 1 2 219.288 1.188 20 0 BDADLO Nc1ccc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000647516658 384472291 /nfs/dbraw/zinc/47/22/91/384472291.db2.gz GVDOUVQWCVTXRL-UHFFFAOYSA-N 1 2 233.315 1.249 20 0 BDADLO Nc1ccc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000647516658 384472297 /nfs/dbraw/zinc/47/22/97/384472297.db2.gz GVDOUVQWCVTXRL-UHFFFAOYSA-N 1 2 233.315 1.249 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CO[C@H](C)C1 ZINC000402121487 384498082 /nfs/dbraw/zinc/49/80/82/384498082.db2.gz DVUDDLSJPBFWTL-RKDXNWHRSA-N 1 2 208.261 1.680 20 0 BDADLO OCC[N@H+](CCC[C@H]1CCOC1)CC(F)F ZINC000400588841 384503187 /nfs/dbraw/zinc/50/31/87/384503187.db2.gz XFEMVMXEUCMGGJ-JTQLQIEISA-N 1 2 237.290 1.363 20 0 BDADLO OCC[N@@H+](CCC[C@H]1CCOC1)CC(F)F ZINC000400588841 384503193 /nfs/dbraw/zinc/50/31/93/384503193.db2.gz XFEMVMXEUCMGGJ-JTQLQIEISA-N 1 2 237.290 1.363 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000048780761 384507676 /nfs/dbraw/zinc/50/76/76/384507676.db2.gz FQAGQPAFOXNBDJ-SECBINFHSA-N 1 2 247.298 1.911 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC23CC3)cc[nH+]1 ZINC000335021023 384491065 /nfs/dbraw/zinc/49/10/65/384491065.db2.gz KBPWPHVCCXEQPP-JTQLQIEISA-N 1 2 202.257 1.551 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)Cc1nccc(N)n1 ZINC000533538500 384519073 /nfs/dbraw/zinc/51/90/73/384519073.db2.gz BXBFXEKDGXRXMF-UHFFFAOYSA-N 1 2 244.298 1.227 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)Cc1nccc(N)n1 ZINC000533538500 384519076 /nfs/dbraw/zinc/51/90/76/384519076.db2.gz BXBFXEKDGXRXMF-UHFFFAOYSA-N 1 2 244.298 1.227 20 0 BDADLO CC(C)C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000079933952 384520632 /nfs/dbraw/zinc/52/06/32/384520632.db2.gz ZJGVTPZPFQBAIF-NSHDSACASA-N 1 2 223.320 1.776 20 0 BDADLO CC(C)C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000079933944 384521077 /nfs/dbraw/zinc/52/10/77/384521077.db2.gz ZJGVTPZPFQBAIF-LLVKDONJSA-N 1 2 223.320 1.776 20 0 BDADLO C[C@@H]1C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC000049228282 384525321 /nfs/dbraw/zinc/52/53/21/384525321.db2.gz DDQFRLYIZHMLTO-SFYZADRCSA-N 1 2 217.276 1.431 20 0 BDADLO COc1ncncc1C[NH2+]Cc1cc(C)no1 ZINC000647179895 384532277 /nfs/dbraw/zinc/53/22/77/384532277.db2.gz VAGQHQGWJQSJMT-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO COC(=O)c1cc(-c2[nH]cc[nH+]2)ccn1 ZINC000137766294 384545027 /nfs/dbraw/zinc/54/50/27/384545027.db2.gz DZMDRLWCUYQQAQ-UHFFFAOYSA-N 1 2 203.201 1.258 20 0 BDADLO COC[C@H](O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000123285914 384547069 /nfs/dbraw/zinc/54/70/69/384547069.db2.gz KZMZJDKTZWBFMU-SNVBAGLBSA-N 1 2 237.303 1.163 20 0 BDADLO Cc1cc[nH+]c(NCC(C)(C)C(N)=O)c1Cl ZINC000309714813 384557611 /nfs/dbraw/zinc/55/76/11/384557611.db2.gz SJBSDMKUWDKHJC-UHFFFAOYSA-N 1 2 241.722 1.967 20 0 BDADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccncc1F ZINC000309777614 384602971 /nfs/dbraw/zinc/60/29/71/384602971.db2.gz MAMVPUNHCGFOBN-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO C[C@H](NCc1[nH]cc[nH+]1)c1ccncc1F ZINC000309777614 384602973 /nfs/dbraw/zinc/60/29/73/384602973.db2.gz MAMVPUNHCGFOBN-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000302666954 384632631 /nfs/dbraw/zinc/63/26/31/384632631.db2.gz ZQOQMHUPJJYOSI-WCBMZHEXSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1nc(N)nc(N(C)[C@@H]2CCC[C@H](C)C2)[nH+]1 ZINC000302666954 384632640 /nfs/dbraw/zinc/63/26/40/384632640.db2.gz ZQOQMHUPJJYOSI-WCBMZHEXSA-N 1 2 235.335 1.777 20 0 BDADLO c1nc2n(n1)CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000559155824 384610018 /nfs/dbraw/zinc/61/00/18/384610018.db2.gz RYSPABLRBAWVML-GFCCVEGCSA-N 1 2 232.331 1.983 20 0 BDADLO c1nc2n(n1)CC[N@H+]([C@@H]1C=CCCCCC1)C2 ZINC000559155824 384610022 /nfs/dbraw/zinc/61/00/22/384610022.db2.gz RYSPABLRBAWVML-GFCCVEGCSA-N 1 2 232.331 1.983 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2ccccn2)no1 ZINC000162397938 384616431 /nfs/dbraw/zinc/61/64/31/384616431.db2.gz QHLDGLHKEBJWKS-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2ccccn2)no1 ZINC000162397938 384616437 /nfs/dbraw/zinc/61/64/37/384616437.db2.gz QHLDGLHKEBJWKS-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCOC(C)C)no1 ZINC000172662754 384617220 /nfs/dbraw/zinc/61/72/20/384617220.db2.gz OZXWBQYYRKAKRO-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1nc(C[N@H+](C)CCCOC(C)C)no1 ZINC000172662754 384617224 /nfs/dbraw/zinc/61/72/24/384617224.db2.gz OZXWBQYYRKAKRO-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000172742360 384624526 /nfs/dbraw/zinc/62/45/26/384624526.db2.gz MTQHDUVCSYRZRT-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](C)C2)s1 ZINC000172742360 384624531 /nfs/dbraw/zinc/62/45/31/384624531.db2.gz MTQHDUVCSYRZRT-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO C[N@H+](CCO)Cc1noc(-c2ccccc2)n1 ZINC000050499339 384628177 /nfs/dbraw/zinc/62/81/77/384628177.db2.gz VOJABFLGRWKXQV-UHFFFAOYSA-N 1 2 233.271 1.161 20 0 BDADLO C[N@@H+](CCO)Cc1noc(-c2ccccc2)n1 ZINC000050499339 384628189 /nfs/dbraw/zinc/62/81/89/384628189.db2.gz VOJABFLGRWKXQV-UHFFFAOYSA-N 1 2 233.271 1.161 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)C[C@@H]1CCCO1 ZINC000517962710 384598295 /nfs/dbraw/zinc/59/82/95/384598295.db2.gz YYEIACALTYOCMO-PWSUYJOCSA-N 1 2 235.331 1.885 20 0 BDADLO CCCN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000530543056 384632213 /nfs/dbraw/zinc/63/22/13/384632213.db2.gz WABOKKWTQRHKKN-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CCCC1 ZINC000082257835 384652985 /nfs/dbraw/zinc/65/29/85/384652985.db2.gz QKRHHMRYKJQQKR-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO CC(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082275817 384655890 /nfs/dbraw/zinc/65/58/90/384655890.db2.gz ZGUFILJWVYNWOP-SNVBAGLBSA-N 1 2 221.304 1.772 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000082277632 384658596 /nfs/dbraw/zinc/65/85/96/384658596.db2.gz XXVOJYASABKCLH-UHFFFAOYSA-N 1 2 244.298 1.758 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)ns2)CCO1 ZINC000643886598 384724827 /nfs/dbraw/zinc/72/48/27/384724827.db2.gz IECBXJSTICMVIE-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)ns2)CCO1 ZINC000643886598 384724831 /nfs/dbraw/zinc/72/48/31/384724831.db2.gz IECBXJSTICMVIE-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO CCOC(=O)C[N@H+](CCn1cccn1)C(C)C ZINC000049572954 384683896 /nfs/dbraw/zinc/68/38/96/384683896.db2.gz LATUXAMJSOYONN-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CCOC(=O)C[N@@H+](CCn1cccn1)C(C)C ZINC000049572954 384683898 /nfs/dbraw/zinc/68/38/98/384683898.db2.gz LATUXAMJSOYONN-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO c1cncc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000367602348 384684615 /nfs/dbraw/zinc/68/46/15/384684615.db2.gz IVVLKMWRRBYHSH-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000367602348 384684624 /nfs/dbraw/zinc/68/46/24/384684624.db2.gz IVVLKMWRRBYHSH-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CC1 ZINC000176537360 384685119 /nfs/dbraw/zinc/68/51/19/384685119.db2.gz GQKFXSUBXOZAIO-QWRGUYRKSA-N 1 2 219.288 1.045 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccccc1OC ZINC000104962840 384726523 /nfs/dbraw/zinc/72/65/23/384726523.db2.gz YCFNEUFWCFEBDV-UHFFFAOYSA-N 1 2 237.299 1.343 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccccc1OC ZINC000104962840 384726533 /nfs/dbraw/zinc/72/65/33/384726533.db2.gz YCFNEUFWCFEBDV-UHFFFAOYSA-N 1 2 237.299 1.343 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000309908157 384715206 /nfs/dbraw/zinc/71/52/06/384715206.db2.gz LHVPFZDIJBYSIS-SNVBAGLBSA-N 1 2 220.320 1.044 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@H](C)C[S@](C)=O)n1 ZINC000185426916 384718889 /nfs/dbraw/zinc/71/88/89/384718889.db2.gz WYLAHMLXZLNWRL-PSLIRLAXSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1csc(C[N@H+](C)[C@H](C)C[S@](C)=O)n1 ZINC000185426916 384718895 /nfs/dbraw/zinc/71/88/95/384718895.db2.gz WYLAHMLXZLNWRL-PSLIRLAXSA-N 1 2 246.401 1.650 20 0 BDADLO c1csc(C[NH+]2CCC3(CC2)OCCO3)n1 ZINC000125423151 384718866 /nfs/dbraw/zinc/71/88/66/384718866.db2.gz HRDZZFJAACCSOH-UHFFFAOYSA-N 1 2 240.328 1.482 20 0 BDADLO C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1[nH]cc[nH+]1 ZINC000557049859 384775711 /nfs/dbraw/zinc/77/57/11/384775711.db2.gz UEECZNIHSRDKCZ-SSDOTTSWSA-N 1 2 245.286 1.501 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC2(CC1)OCCO2 ZINC000126151049 384776113 /nfs/dbraw/zinc/77/61/13/384776113.db2.gz ULZGBIRWVNCLOI-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO CN(c1cc(CO)cc[nH+]1)[C@@H]1CCCOC1 ZINC000401501801 384729641 /nfs/dbraw/zinc/72/96/41/384729641.db2.gz HQXQDBQNXYSBLP-LLVKDONJSA-N 1 2 222.288 1.189 20 0 BDADLO O=C(C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000052584893 384736483 /nfs/dbraw/zinc/73/64/83/384736483.db2.gz KJEPQUBTBDMVEE-UHFFFAOYSA-N 1 2 234.299 1.334 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000368562710 384748217 /nfs/dbraw/zinc/74/82/17/384748217.db2.gz RHLOPANFFJDJTB-MRVPVSSYSA-N 1 2 243.257 1.391 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)CCC(C)C ZINC000309984279 384764851 /nfs/dbraw/zinc/76/48/51/384764851.db2.gz XNSCUZZQHGQGPL-SNVBAGLBSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@](C)([NH2+]CCOCC1CC1)C(=O)OC ZINC000309999503 384769975 /nfs/dbraw/zinc/76/99/75/384769975.db2.gz DHTFEPWXIDDBQT-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO C[C@@H](CCc1ccco1)[NH2+]CC(F)(F)CN ZINC000564827835 384822205 /nfs/dbraw/zinc/82/22/05/384822205.db2.gz PRXPSLNEBAKISZ-VIFPVBQESA-N 1 2 232.274 1.784 20 0 BDADLO O=C(Cc1ccon1)NCCCCn1cc[nH+]c1 ZINC000531062958 384784818 /nfs/dbraw/zinc/78/48/18/384784818.db2.gz DNAJWWNSMUPQDN-UHFFFAOYSA-N 1 2 248.286 1.010 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cn[nH]c2)c[nH+]1 ZINC000335060125 384791890 /nfs/dbraw/zinc/79/18/90/384791890.db2.gz UTHTVWAZBNLOGK-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CCC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OCC ZINC000398075083 384796088 /nfs/dbraw/zinc/79/60/88/384796088.db2.gz KPJNKCIMCHYRGQ-TUAOUCFPSA-N 1 2 243.347 1.875 20 0 BDADLO CC1(C(=O)NCCc2[nH]cc[nH+]2)CCCC1 ZINC000126444515 384797674 /nfs/dbraw/zinc/79/76/74/384797674.db2.gz AGXHIBDWFDHFCN-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCCCN(CCO)c1cc(C)[nH+]cn1 ZINC000042493170 384811163 /nfs/dbraw/zinc/81/11/63/384811163.db2.gz JGSODNYPIVZKEE-UHFFFAOYSA-N 1 2 209.293 1.384 20 0 BDADLO O=C(N[C@@H]1CC12CC2)c1ccc2[nH+]ccn2c1 ZINC000335484849 384874132 /nfs/dbraw/zinc/87/41/32/384874132.db2.gz DBVMTHWZVNGQDW-SNVBAGLBSA-N 1 2 227.267 1.617 20 0 BDADLO CC(C)C1(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000647290964 384839192 /nfs/dbraw/zinc/83/91/92/384839192.db2.gz VXWWVOQDMGFNDB-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncccc1F ZINC000054700792 384849070 /nfs/dbraw/zinc/84/90/70/384849070.db2.gz SIBXGZGSAJGUFD-SECBINFHSA-N 1 2 220.251 1.918 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Nc1ncccc1F ZINC000054700798 384851152 /nfs/dbraw/zinc/85/11/52/384851152.db2.gz MKAHSBRUCDUABI-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)CCSC)n1 ZINC000177045318 384852182 /nfs/dbraw/zinc/85/21/82/384852182.db2.gz MQVWRZFYPCWNGI-MRVPVSSYSA-N 1 2 245.348 1.572 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)CCSC)n1 ZINC000177045318 384852187 /nfs/dbraw/zinc/85/21/87/384852187.db2.gz MQVWRZFYPCWNGI-MRVPVSSYSA-N 1 2 245.348 1.572 20 0 BDADLO CCOC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000175050164 384862589 /nfs/dbraw/zinc/86/25/89/384862589.db2.gz RSZOHTZRWRBQDX-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@H]1CCCO1 ZINC000175070302 384865831 /nfs/dbraw/zinc/86/58/31/384865831.db2.gz GBXBAKFNBSMBNK-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@H]1CCCO1 ZINC000175070302 384865834 /nfs/dbraw/zinc/86/58/34/384865834.db2.gz GBXBAKFNBSMBNK-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO COC(=O)[C@H](C)CNc1cc(C)[nH+]cn1 ZINC000301233747 384868534 /nfs/dbraw/zinc/86/85/34/384868534.db2.gz KKBMNGNUJGGVKZ-SSDOTTSWSA-N 1 2 209.249 1.006 20 0 BDADLO Cc1nsc(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000364029878 384869287 /nfs/dbraw/zinc/86/92/87/384869287.db2.gz BWSXHROUPAZVHP-QMMMGPOBSA-N 1 2 235.316 1.911 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175102462 384869714 /nfs/dbraw/zinc/86/97/14/384869714.db2.gz AIPWTSIDSPAKMS-RKDXNWHRSA-N 1 2 243.307 1.244 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000175102462 384869717 /nfs/dbraw/zinc/86/97/17/384869717.db2.gz AIPWTSIDSPAKMS-RKDXNWHRSA-N 1 2 243.307 1.244 20 0 BDADLO CN(c1ccccc1)c1cc(NCCO)[nH+]cn1 ZINC000258926534 384951885 /nfs/dbraw/zinc/95/18/85/384951885.db2.gz JEFWCNQBDVGOIY-UHFFFAOYSA-N 1 2 244.298 1.649 20 0 BDADLO CC(C)COC[C@H](O)CNc1cccc[nH+]1 ZINC000301534669 384891915 /nfs/dbraw/zinc/89/19/15/384891915.db2.gz QJJFAMCSKCWFMA-LLVKDONJSA-N 1 2 224.304 1.527 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2CC)C[C@H](C)O1 ZINC000119959946 384958187 /nfs/dbraw/zinc/95/81/87/384958187.db2.gz WNMIPYFTSSHOAV-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2CC)C[C@H](C)O1 ZINC000119959946 384958193 /nfs/dbraw/zinc/95/81/93/384958193.db2.gz WNMIPYFTSSHOAV-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c(C)n1 ZINC000187015982 384902893 /nfs/dbraw/zinc/90/28/93/384902893.db2.gz DEVULJVMKVKPGO-GFCCVEGCSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c(C)n1 ZINC000187015982 384902898 /nfs/dbraw/zinc/90/28/98/384902898.db2.gz DEVULJVMKVKPGO-GFCCVEGCSA-N 1 2 247.342 1.361 20 0 BDADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1cscn1 ZINC000127841521 384910128 /nfs/dbraw/zinc/91/01/28/384910128.db2.gz MUDIMZZOFCTMGG-MRVPVSSYSA-N 1 2 248.373 1.228 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000644495011 384914786 /nfs/dbraw/zinc/91/47/86/384914786.db2.gz JKONZPDKPGXQSG-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000644495011 384914789 /nfs/dbraw/zinc/91/47/89/384914789.db2.gz JKONZPDKPGXQSG-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)oc1C ZINC000106443945 384917557 /nfs/dbraw/zinc/91/75/57/384917557.db2.gz JNCAAEMKOFGJGA-JTQLQIEISA-N 1 2 239.319 1.281 20 0 BDADLO CCCC[C@@](C)(CO)[NH2+]Cc1ccn[nH]1 ZINC000647239770 384917796 /nfs/dbraw/zinc/91/77/96/384917796.db2.gz MYAZBSJAARWPAI-NSHDSACASA-N 1 2 211.309 1.441 20 0 BDADLO O=C(CCC1CCC1)NCCCn1cc[nH+]c1 ZINC000175683813 384945599 /nfs/dbraw/zinc/94/55/99/384945599.db2.gz WLCYCVPMEZGNOF-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000106934141 384946063 /nfs/dbraw/zinc/94/60/63/384946063.db2.gz DFGYYZWCMYVXOD-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000106934141 384946066 /nfs/dbraw/zinc/94/60/66/384946066.db2.gz DFGYYZWCMYVXOD-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CN(C[C@H]1CCCOC1)c1cccc[nH+]1 ZINC000107674052 384994808 /nfs/dbraw/zinc/99/48/08/384994808.db2.gz DSUPUMURDOWOOG-LLVKDONJSA-N 1 2 206.289 1.944 20 0 BDADLO COC(=O)C1(CNc2cc(C)[nH+]cn2)CC1 ZINC000302486719 384994987 /nfs/dbraw/zinc/99/49/87/384994987.db2.gz SBYOFOLPTKXEBM-UHFFFAOYSA-N 1 2 221.260 1.150 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000115575528 384996527 /nfs/dbraw/zinc/99/65/27/384996527.db2.gz TWVBNAKWMOKUCX-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cn2ccccc2n1 ZINC000115575528 384996533 /nfs/dbraw/zinc/99/65/33/384996533.db2.gz TWVBNAKWMOKUCX-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@@H]([NH2+]Cc1ccns1)c1csnn1 ZINC000404451965 384999181 /nfs/dbraw/zinc/99/91/81/384999181.db2.gz RVGKCLWNEJTGKY-ZCFIWIBFSA-N 1 2 226.330 1.845 20 0 BDADLO Cc1ccnc(NCc2ccc(N)[nH+]c2)n1 ZINC000302782277 385017886 /nfs/dbraw/zinc/01/78/86/385017886.db2.gz SLGKLXRLLZWSJM-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CCCC1(F)F)S(C)(=O)=O ZINC000644647822 385053268 /nfs/dbraw/zinc/05/32/68/385053268.db2.gz OGRHSQDUCTYNTK-HTQZYQBOSA-N 1 2 241.303 1.197 20 0 BDADLO C[C@@H](C[NH2+][C@H]1CCCC1(F)F)S(C)(=O)=O ZINC000644647826 385053741 /nfs/dbraw/zinc/05/37/41/385053741.db2.gz OGRHSQDUCTYNTK-YUMQZZPRSA-N 1 2 241.303 1.197 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1CF ZINC000359547753 385061141 /nfs/dbraw/zinc/06/11/41/385061141.db2.gz SPKQOHLVJRVVBE-SNVBAGLBSA-N 1 2 225.267 1.303 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1CF ZINC000359547753 385061150 /nfs/dbraw/zinc/06/11/50/385061150.db2.gz SPKQOHLVJRVVBE-SNVBAGLBSA-N 1 2 225.267 1.303 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000407948287 385080040 /nfs/dbraw/zinc/08/00/40/385080040.db2.gz ADKMPKIJABBVPT-LLVKDONJSA-N 1 2 225.292 1.379 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000407948287 385080043 /nfs/dbraw/zinc/08/00/43/385080043.db2.gz ADKMPKIJABBVPT-LLVKDONJSA-N 1 2 225.292 1.379 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000557585457 385024340 /nfs/dbraw/zinc/02/43/40/385024340.db2.gz KXDPGXYELAMPTG-PSASIEDQSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000557585457 385024348 /nfs/dbraw/zinc/02/43/48/385024348.db2.gz KXDPGXYELAMPTG-PSASIEDQSA-N 1 2 239.344 1.210 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnn(C)c2C)cs1 ZINC000086551998 385026788 /nfs/dbraw/zinc/02/67/88/385026788.db2.gz LZLIHYDLRHJOBQ-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cscn1 ZINC000308721548 385026805 /nfs/dbraw/zinc/02/68/05/385026805.db2.gz DKXFMUBSWNZDDU-UHFFFAOYSA-N 1 2 226.330 1.593 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@H](C)C2)cs1 ZINC000334142599 385031064 /nfs/dbraw/zinc/03/10/64/385031064.db2.gz OGPMMCNSSOEUFD-SECBINFHSA-N 1 2 226.345 1.920 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@H](C)C2)cs1 ZINC000334142599 385031071 /nfs/dbraw/zinc/03/10/71/385031071.db2.gz OGPMMCNSSOEUFD-SECBINFHSA-N 1 2 226.345 1.920 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1ccccc1 ZINC000188385791 385046540 /nfs/dbraw/zinc/04/65/40/385046540.db2.gz XLMSBUJALBOWOC-UHFFFAOYSA-N 1 2 243.310 1.669 20 0 BDADLO CCC(C)(C)CNc1nc(C)[nH+]c(N)n1 ZINC000308792716 385110889 /nfs/dbraw/zinc/11/08/89/385110889.db2.gz DITZTHRVQGCQGC-UHFFFAOYSA-N 1 2 209.297 1.610 20 0 BDADLO CCC(C)(C)CNc1nc(N)nc(C)[nH+]1 ZINC000308792716 385110894 /nfs/dbraw/zinc/11/08/94/385110894.db2.gz DITZTHRVQGCQGC-UHFFFAOYSA-N 1 2 209.297 1.610 20 0 BDADLO Cc1ccc(NC(=O)NCC[C@H](C)O)c(C)[nH+]1 ZINC000176751807 385141832 /nfs/dbraw/zinc/14/18/32/385141832.db2.gz YDEPMKLROORMJE-VIFPVBQESA-N 1 2 237.303 1.591 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000310038203 385119307 /nfs/dbraw/zinc/11/93/07/385119307.db2.gz VWGDXRNMAXGASH-CMPLNLGQSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)[C@@H](C)[S@@](=O)Cc1[nH+]ccn1C ZINC000129315931 385137450 /nfs/dbraw/zinc/13/74/50/385137450.db2.gz ZNEVDQQQNJEFFA-YMTOWFKASA-N 1 2 214.334 1.713 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ncn(C)n1 ZINC000279291193 385094358 /nfs/dbraw/zinc/09/43/58/385094358.db2.gz LCKZZBUCDIIVTP-CMPLNLGQSA-N 1 2 246.314 1.199 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cc(C)ncn1)CC2 ZINC000644682697 385095856 /nfs/dbraw/zinc/09/58/56/385095856.db2.gz GARFXONWCYXWPN-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CCc1nc(N2C[C@@H](O)C[C@H]2C)cc(C)[nH+]1 ZINC000343212141 385181771 /nfs/dbraw/zinc/18/17/71/385181771.db2.gz BGCCOPSLPNAWIX-ZJUUUORDSA-N 1 2 221.304 1.307 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000152475328 385183295 /nfs/dbraw/zinc/18/32/95/385183295.db2.gz IYZKVTNRROGRKX-GFCCVEGCSA-N 1 2 233.315 1.182 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000152475328 385183304 /nfs/dbraw/zinc/18/33/04/385183304.db2.gz IYZKVTNRROGRKX-GFCCVEGCSA-N 1 2 233.315 1.182 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000152515431 385187201 /nfs/dbraw/zinc/18/72/01/385187201.db2.gz XNNKPCBIIQUWNH-GFCCVEGCSA-N 1 2 233.315 1.182 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000152515431 385187210 /nfs/dbraw/zinc/18/72/10/385187210.db2.gz XNNKPCBIIQUWNH-GFCCVEGCSA-N 1 2 233.315 1.182 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H](C)c2cnn(C)c2)nn1 ZINC000310844322 385188702 /nfs/dbraw/zinc/18/87/02/385188702.db2.gz BWFFJAJGXVSNPO-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@@H]1[C@H](C(=O)NCCCn2cc[nH+]c2)C1(F)F ZINC000359266412 385144007 /nfs/dbraw/zinc/14/40/07/385144007.db2.gz VGHWRMRAZODCQP-RKDXNWHRSA-N 1 2 243.257 1.291 20 0 BDADLO c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCOC1 ZINC000109430017 385161442 /nfs/dbraw/zinc/16/14/42/385161442.db2.gz WBKHHHLQVLNJNU-GFCCVEGCSA-N 1 2 233.315 1.883 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279677562 385173611 /nfs/dbraw/zinc/17/36/11/385173611.db2.gz FABIFIZVUCFDOM-MRVPVSSYSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279677562 385173613 /nfs/dbraw/zinc/17/36/13/385173613.db2.gz FABIFIZVUCFDOM-MRVPVSSYSA-N 1 2 243.738 1.276 20 0 BDADLO C[N@H+](CCC(C)(C)O)CC(=O)OC(C)(C)C ZINC000360457482 385178114 /nfs/dbraw/zinc/17/81/14/385178114.db2.gz VKYRGIKLUCJLBH-UHFFFAOYSA-N 1 2 231.336 1.421 20 0 BDADLO C[N@@H+](CCC(C)(C)O)CC(=O)OC(C)(C)C ZINC000360457482 385178119 /nfs/dbraw/zinc/17/81/19/385178119.db2.gz VKYRGIKLUCJLBH-UHFFFAOYSA-N 1 2 231.336 1.421 20 0 BDADLO C[C@H](CC(=O)N(C)C)[NH2+]C1(C(F)F)CC1 ZINC000308846315 385207849 /nfs/dbraw/zinc/20/78/49/385207849.db2.gz MISPKBXPLFRAEW-SSDOTTSWSA-N 1 2 220.263 1.241 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000308846554 385207868 /nfs/dbraw/zinc/20/78/68/385207868.db2.gz AJPKTCKFWVGYCV-DTWKUNHWSA-N 1 2 229.345 1.422 20 0 BDADLO OC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110111793 385211568 /nfs/dbraw/zinc/21/15/68/385211568.db2.gz JMSHJIOHRPDASO-SNVBAGLBSA-N 1 2 233.315 1.563 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000033299999 385221078 /nfs/dbraw/zinc/22/10/78/385221078.db2.gz AKCTWONCLUGTNK-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO O=C(c1ccco1)N1CC[NH+](CCCF)CC1 ZINC000178255697 385222690 /nfs/dbraw/zinc/22/26/90/385222690.db2.gz SKUHAPCVLSSHJM-UHFFFAOYSA-N 1 2 240.278 1.397 20 0 BDADLO C[C@H](CO)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000152971165 385230117 /nfs/dbraw/zinc/23/01/17/385230117.db2.gz QHZTYDAJAXJQEJ-MRVPVSSYSA-N 1 2 207.277 1.171 20 0 BDADLO C[C@H]1COCCN1Cc1c[nH+]c2ccccn12 ZINC000157630973 385238378 /nfs/dbraw/zinc/23/83/78/385238378.db2.gz YWIOUHRAKCVBNE-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc2ccccn12 ZINC000157630973 385238385 /nfs/dbraw/zinc/23/83/85/385238385.db2.gz YWIOUHRAKCVBNE-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc2ccccn12 ZINC000157630973 385238390 /nfs/dbraw/zinc/23/83/90/385238390.db2.gz YWIOUHRAKCVBNE-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177949114 385309789 /nfs/dbraw/zinc/30/97/89/385309789.db2.gz QNSCBBJOIFOUPE-MWLCHTKSSA-N 1 2 244.298 1.542 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CC[C@H]1CCCO1 ZINC000308963115 385316276 /nfs/dbraw/zinc/31/62/76/385316276.db2.gz SQCFRTTUSROFMB-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCC1CC1 ZINC000643150046 385319667 /nfs/dbraw/zinc/31/96/67/385319667.db2.gz KCRSWYOSTMHHAL-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2c1OCCO2 ZINC000177554947 385258982 /nfs/dbraw/zinc/25/89/82/385258982.db2.gz BYUAESSZFWZYPO-UHFFFAOYSA-N 1 2 245.282 1.803 20 0 BDADLO O=C([C@@H]1CCCS1)N1CCn2c[nH+]cc2C1 ZINC000291000396 385267963 /nfs/dbraw/zinc/26/79/63/385267963.db2.gz YNCOKFPEYBVLOO-JTQLQIEISA-N 1 2 237.328 1.121 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@@H]1C1CC1)C1CC1 ZINC000308908133 385284857 /nfs/dbraw/zinc/28/48/57/385284857.db2.gz CZUTYQYVJHCXBX-OUAUKWLOSA-N 1 2 209.289 1.326 20 0 BDADLO COC(=O)CCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000130886318 385291691 /nfs/dbraw/zinc/29/16/91/385291691.db2.gz AMHXVIMQMMODEL-UHFFFAOYSA-N 1 2 236.271 1.672 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000647312015 385293350 /nfs/dbraw/zinc/29/33/50/385293350.db2.gz FPILGLUFFSMBKY-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191924234 385333667 /nfs/dbraw/zinc/33/36/67/385333667.db2.gz ONUIQWCVCGUFJM-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191924234 385333671 /nfs/dbraw/zinc/33/36/71/385333671.db2.gz ONUIQWCVCGUFJM-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)C(C)(C)C)oc1C ZINC000131457355 385335376 /nfs/dbraw/zinc/33/53/76/385335376.db2.gz MFBZSYXTIWNWPF-UHFFFAOYSA-N 1 2 239.319 1.377 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)C(C)(C)C)oc1C ZINC000131457355 385335382 /nfs/dbraw/zinc/33/53/82/385335382.db2.gz MFBZSYXTIWNWPF-UHFFFAOYSA-N 1 2 239.319 1.377 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCc1ccoc1 ZINC000492253004 385337927 /nfs/dbraw/zinc/33/79/27/385337927.db2.gz PZEBLRFETJZQBS-ONEGZZNKSA-N 1 2 245.282 1.826 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncc(Cl)cn1 ZINC000168032793 385346184 /nfs/dbraw/zinc/34/61/84/385346184.db2.gz DOSTUNJWSJYRQP-MRVPVSSYSA-N 1 2 237.694 1.827 20 0 BDADLO C[N@H+](Cc1ccccc1Cl)[C@@H]1CCNC1=O ZINC000178282791 385349552 /nfs/dbraw/zinc/34/95/52/385349552.db2.gz AZRLNZMVZXUQNE-LLVKDONJSA-N 1 2 238.718 1.660 20 0 BDADLO C[N@@H+](Cc1ccccc1Cl)[C@@H]1CCNC1=O ZINC000178282791 385349557 /nfs/dbraw/zinc/34/95/57/385349557.db2.gz AZRLNZMVZXUQNE-LLVKDONJSA-N 1 2 238.718 1.660 20 0 BDADLO COC(C)(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178371427 385361490 /nfs/dbraw/zinc/36/14/90/385361490.db2.gz FULUYQBXHAEOQJ-UHFFFAOYSA-N 1 2 247.298 1.376 20 0 BDADLO CSCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178374499 385362005 /nfs/dbraw/zinc/36/20/05/385362005.db2.gz LHUPQJBGXXITKP-UHFFFAOYSA-N 1 2 235.312 1.314 20 0 BDADLO CSCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178383981 385363502 /nfs/dbraw/zinc/36/35/02/385363502.db2.gz BFTLOSSSCANXKD-UHFFFAOYSA-N 1 2 249.339 1.704 20 0 BDADLO C[C@H](Cn1cccn1)[NH2+]C1(C(F)F)CC1 ZINC000309023757 385366513 /nfs/dbraw/zinc/36/65/13/385366513.db2.gz YSQMJOWEVPGNTF-MRVPVSSYSA-N 1 2 215.247 1.659 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC12CC2)c1c[nH]c[nH+]1 ZINC000644796150 385375057 /nfs/dbraw/zinc/37/50/57/385375057.db2.gz BIWVOIRESJHCTI-MRVPVSSYSA-N 1 2 219.288 1.356 20 0 BDADLO Nc1cc(CSc2nnc(C3CC3)[nH]2)cc[nH+]1 ZINC000193081433 385383224 /nfs/dbraw/zinc/38/32/24/385383224.db2.gz ULJSDRLSRDSLEC-UHFFFAOYSA-N 1 2 247.327 1.952 20 0 BDADLO Nc1cc(CSc2nc(C3CC3)n[nH]2)cc[nH+]1 ZINC000193081433 385383227 /nfs/dbraw/zinc/38/32/27/385383227.db2.gz ULJSDRLSRDSLEC-UHFFFAOYSA-N 1 2 247.327 1.952 20 0 BDADLO C[C@@H]([NH3+])CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000193188384 385387383 /nfs/dbraw/zinc/38/73/83/385387383.db2.gz VPKURIPWSJCVAW-SSDOTTSWSA-N 1 2 233.275 1.024 20 0 BDADLO CCC[C@@](C)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000309067502 385393035 /nfs/dbraw/zinc/39/30/35/385393035.db2.gz AGMFICZUNSDJDR-MWLCHTKSSA-N 1 2 217.309 1.079 20 0 BDADLO C[C@@H]1OCCN(Cc2[nH+]ccn2C)[C@H]1C ZINC000178585620 385394772 /nfs/dbraw/zinc/39/47/72/385394772.db2.gz YYGYTEPEVJWBPR-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000644041535 385396275 /nfs/dbraw/zinc/39/62/75/385396275.db2.gz RSSDKSBWLBFOFX-WPRPVWTQSA-N 1 2 241.360 1.790 20 0 BDADLO CCOCC[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC000181636589 385412148 /nfs/dbraw/zinc/41/21/48/385412148.db2.gz ICKILOMRUXSBGR-QWRGUYRKSA-N 1 2 231.336 1.590 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000492813823 385439919 /nfs/dbraw/zinc/43/99/19/385439919.db2.gz QLYBSTUSTVEHLX-YEZKRMTDSA-N 1 2 242.282 1.695 20 0 BDADLO CC[N@H+](CCO)Cc1c(F)cccc1F ZINC000162055459 385443005 /nfs/dbraw/zinc/44/30/05/385443005.db2.gz UVKMQNKCPGNCDL-UHFFFAOYSA-N 1 2 215.243 1.779 20 0 BDADLO CC[N@@H+](CCO)Cc1c(F)cccc1F ZINC000162055459 385443009 /nfs/dbraw/zinc/44/30/09/385443009.db2.gz UVKMQNKCPGNCDL-UHFFFAOYSA-N 1 2 215.243 1.779 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1ccncc1F ZINC000449037294 385444276 /nfs/dbraw/zinc/44/42/76/385444276.db2.gz YGQLFCOLQHHZIL-UHFFFAOYSA-N 1 2 234.278 1.549 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1ccncc1F ZINC000449037294 385444277 /nfs/dbraw/zinc/44/42/77/385444277.db2.gz YGQLFCOLQHHZIL-UHFFFAOYSA-N 1 2 234.278 1.549 20 0 BDADLO COc1cc(C[NH2+]Cc2ncn(C)n2)ccc1C ZINC000194405684 385433681 /nfs/dbraw/zinc/43/36/81/385433681.db2.gz WDQDFDTYOWBVTN-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO C[C@@H](CO)[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179425119 385465181 /nfs/dbraw/zinc/46/51/81/385465181.db2.gz GGJAEHATOGQYTI-VHSXEESVSA-N 1 2 247.298 1.081 20 0 BDADLO COCC(C)(C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492929617 385465316 /nfs/dbraw/zinc/46/53/16/385465316.db2.gz ZABXBZZSQLEEAF-WAYWQWQTSA-N 1 2 237.303 1.306 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc(C)c1C ZINC000179394582 385465372 /nfs/dbraw/zinc/46/53/72/385465372.db2.gz RAHAADGXJKCFNH-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc(C)c1C ZINC000179394582 385465376 /nfs/dbraw/zinc/46/53/76/385465376.db2.gz RAHAADGXJKCFNH-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO COC(=O)CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC000179397599 385465472 /nfs/dbraw/zinc/46/54/72/385465472.db2.gz FQFYFBRAAXKAEE-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccc(Cl)c(F)c1 ZINC000179509292 385469347 /nfs/dbraw/zinc/46/93/47/385469347.db2.gz OERDGFVWMYLWTM-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccc(Cl)c(F)c1 ZINC000179509292 385469351 /nfs/dbraw/zinc/46/93/51/385469351.db2.gz OERDGFVWMYLWTM-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000156854947 385470512 /nfs/dbraw/zinc/47/05/12/385470512.db2.gz JXANUYRIHVLVSB-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000156854947 385470514 /nfs/dbraw/zinc/47/05/14/385470514.db2.gz JXANUYRIHVLVSB-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc[nH]n1 ZINC000179569370 385474524 /nfs/dbraw/zinc/47/45/24/385474524.db2.gz YUPBDJKMWASJCU-JTQLQIEISA-N 1 2 216.288 1.788 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc[nH]n1 ZINC000179569370 385474526 /nfs/dbraw/zinc/47/45/26/385474526.db2.gz YUPBDJKMWASJCU-JTQLQIEISA-N 1 2 216.288 1.788 20 0 BDADLO COc1ccc(NC[C@@H](OC)C2CC2)[nH+]c1 ZINC000378735279 385481105 /nfs/dbraw/zinc/48/11/05/385481105.db2.gz ZARSVJSGKVJBEV-LLVKDONJSA-N 1 2 222.288 1.927 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCSC[C@@H]1C ZINC000179666167 385481452 /nfs/dbraw/zinc/48/14/52/385481452.db2.gz GSCVHBVBHHEMGA-QMMMGPOBSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCSC[C@@H]1C ZINC000179666167 385481454 /nfs/dbraw/zinc/48/14/54/385481454.db2.gz GSCVHBVBHHEMGA-QMMMGPOBSA-N 1 2 211.334 1.655 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc2c(c1)OCO2 ZINC000179722310 385487225 /nfs/dbraw/zinc/48/72/25/385487225.db2.gz OZNNRRLYVAUEFX-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc2c(c1)OCO2 ZINC000179722310 385487227 /nfs/dbraw/zinc/48/72/27/385487227.db2.gz OZNNRRLYVAUEFX-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000156582371 385459503 /nfs/dbraw/zinc/45/95/03/385459503.db2.gz IFLCBGHVOSNPEW-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000156582371 385459507 /nfs/dbraw/zinc/45/95/07/385459507.db2.gz IFLCBGHVOSNPEW-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CS[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000109889912 385490827 /nfs/dbraw/zinc/49/08/27/385490827.db2.gz BJSFCBXXXIPGAW-ZCFIWIBFSA-N 1 2 212.274 1.477 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCO[C@H](C)C3)n2c1 ZINC000179870268 385496440 /nfs/dbraw/zinc/49/64/40/385496440.db2.gz UHJWUXOSGBIQDH-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1scnc1C ZINC000179900089 385498843 /nfs/dbraw/zinc/49/88/43/385498843.db2.gz GHRHSIMISUPSKR-VIFPVBQESA-N 1 2 240.328 1.589 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1scnc1C ZINC000179900089 385498848 /nfs/dbraw/zinc/49/88/48/385498848.db2.gz GHRHSIMISUPSKR-VIFPVBQESA-N 1 2 240.328 1.589 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111274632 385500213 /nfs/dbraw/zinc/50/02/13/385500213.db2.gz RRABVGQSPWRACO-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111274632 385500219 /nfs/dbraw/zinc/50/02/19/385500219.db2.gz RRABVGQSPWRACO-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCc1nccs1 ZINC000157551371 385507709 /nfs/dbraw/zinc/50/77/09/385507709.db2.gz XMSUDQUBWQMXEQ-UHFFFAOYSA-N 1 2 236.344 1.551 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCc1nccs1 ZINC000157551371 385507712 /nfs/dbraw/zinc/50/77/12/385507712.db2.gz XMSUDQUBWQMXEQ-UHFFFAOYSA-N 1 2 236.344 1.551 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000563016449 385512547 /nfs/dbraw/zinc/51/25/47/385512547.db2.gz ICNBUDLIBLSCIF-LMLFDSFASA-N 1 2 245.326 1.744 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000563016449 385512552 /nfs/dbraw/zinc/51/25/52/385512552.db2.gz ICNBUDLIBLSCIF-LMLFDSFASA-N 1 2 245.326 1.744 20 0 BDADLO CCc1cc(N2CCO[C@H]3C[C@H]32)nc(C)[nH+]1 ZINC000644135352 385517113 /nfs/dbraw/zinc/51/71/13/385517113.db2.gz AYUGRAIZAPIAFZ-MNOVXSKESA-N 1 2 219.288 1.325 20 0 BDADLO CC[C@@H]([NH2+]CC(CC)(CC)OC)C(=O)OC ZINC000309225945 385490067 /nfs/dbraw/zinc/49/00/67/385490067.db2.gz HOSHVYIMRFXDEG-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO CC(C)[C@H](Nc1nccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000296884606 385540327 /nfs/dbraw/zinc/54/03/27/385540327.db2.gz XJSPNLLEYRLMER-JTQLQIEISA-N 1 2 242.286 1.881 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1nc[nH]n1 ZINC000180726525 385542850 /nfs/dbraw/zinc/54/28/50/385542850.db2.gz DKYWZKLKTIAVFP-MRVPVSSYSA-N 1 2 246.274 1.391 20 0 BDADLO COC(=O)c1cc(C[NH2+]CC(F)F)c[nH]1 ZINC000291510628 385549206 /nfs/dbraw/zinc/54/92/06/385549206.db2.gz XERPKRSBCWOYJZ-UHFFFAOYSA-N 1 2 218.203 1.156 20 0 BDADLO COC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000082254823 385547308 /nfs/dbraw/zinc/54/73/08/385547308.db2.gz QEMLAMBHUOKOPC-NSHDSACASA-N 1 2 249.314 1.527 20 0 BDADLO c1cn(CC2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000157735969 385519800 /nfs/dbraw/zinc/51/98/00/385519800.db2.gz YCUHSECBCMHYDL-UHFFFAOYSA-N 1 2 243.314 1.590 20 0 BDADLO CCO/C=C/C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000493113387 385524141 /nfs/dbraw/zinc/52/41/41/385524141.db2.gz GCRRLKQVYRKIKF-NKLKJHRZSA-N 1 2 249.314 1.666 20 0 BDADLO CCC[C@](C)([NH2+]CCSC)C(=O)OC ZINC000172238437 385526473 /nfs/dbraw/zinc/52/64/73/385526473.db2.gz XFUUFDNYSYVTLG-JTQLQIEISA-N 1 2 219.350 1.671 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)[C@H]1SC ZINC000309424570 385577611 /nfs/dbraw/zinc/57/76/11/385577611.db2.gz FDZKRBWLMMBIOO-UTINFBMNSA-N 1 2 247.360 1.047 20 0 BDADLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCO1 ZINC000180898594 385554631 /nfs/dbraw/zinc/55/46/31/385554631.db2.gz LUEDCXNJRRNMDD-UHFFFAOYSA-N 1 2 244.254 1.045 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)OC ZINC000309403808 385571579 /nfs/dbraw/zinc/57/15/79/385571579.db2.gz ANIBOLZKZOQVJC-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1F ZINC000493431483 385573470 /nfs/dbraw/zinc/57/34/70/385573470.db2.gz VHWNRLMMBRSRAP-XIJCSBCJSA-N 1 2 237.278 1.820 20 0 BDADLO COC[C@H]([NH2+]CC1CCCCC1)C(=O)OC ZINC000309463095 385593646 /nfs/dbraw/zinc/59/36/46/385593646.db2.gz OMNLTBJDZULCQG-NSHDSACASA-N 1 2 229.320 1.344 20 0 BDADLO CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(=O)NC ZINC000450944152 385596285 /nfs/dbraw/zinc/59/62/85/385596285.db2.gz RSDKNFSVOZHOTN-VIFPVBQESA-N 1 2 247.302 1.203 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCOCC(C)C)no1 ZINC000337327549 385598591 /nfs/dbraw/zinc/59/85/91/385598591.db2.gz XPAQPGLVUPBDPV-UHFFFAOYSA-N 1 2 241.335 1.875 20 0 BDADLO Cn1cc[nH+]c1CN(Cc1ccncc1)C1CC1 ZINC000181489536 385579804 /nfs/dbraw/zinc/57/98/04/385579804.db2.gz MGYZNZQODPCAGU-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C[C@@H](CCO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000269631843 385615677 /nfs/dbraw/zinc/61/56/77/385615677.db2.gz WIPTZQASNLHWRR-JTQLQIEISA-N 1 2 247.298 1.083 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1scnc1C ZINC000066563748 385622330 /nfs/dbraw/zinc/62/23/30/385622330.db2.gz WMVXHBALFHBVPD-QMMMGPOBSA-N 1 2 227.333 1.147 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1scnc1C ZINC000066563748 385622338 /nfs/dbraw/zinc/62/23/38/385622338.db2.gz WMVXHBALFHBVPD-QMMMGPOBSA-N 1 2 227.333 1.147 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000595301596 385623948 /nfs/dbraw/zinc/62/39/48/385623948.db2.gz GPVQSSBOGJHXPS-GFCCVEGCSA-N 1 2 249.314 1.231 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000595301596 385623956 /nfs/dbraw/zinc/62/39/56/385623956.db2.gz GPVQSSBOGJHXPS-GFCCVEGCSA-N 1 2 249.314 1.231 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000493829133 385624898 /nfs/dbraw/zinc/62/48/98/385624898.db2.gz WHFCMSQJIGAABH-UFFNRZRYSA-N 1 2 231.299 1.681 20 0 BDADLO CCCc1occc1C(=O)NCCn1cc[nH+]c1 ZINC000281004681 385626870 /nfs/dbraw/zinc/62/68/70/385626870.db2.gz MCRKURPWIBYRKZ-UHFFFAOYSA-N 1 2 247.298 1.859 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366562867 385632634 /nfs/dbraw/zinc/63/26/34/385632634.db2.gz AIXGFEJNPOELGL-HRDYMLBCSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366562867 385632640 /nfs/dbraw/zinc/63/26/40/385632640.db2.gz AIXGFEJNPOELGL-HRDYMLBCSA-N 1 2 219.288 1.039 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)ccc1C ZINC000366561933 385634077 /nfs/dbraw/zinc/63/40/77/385634077.db2.gz UNCOTRHZWXTSHR-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)ccc1C ZINC000366561933 385634081 /nfs/dbraw/zinc/63/40/81/385634081.db2.gz UNCOTRHZWXTSHR-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO FCC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000280811249 385607563 /nfs/dbraw/zinc/60/75/63/385607563.db2.gz UJNXTOWWZIZGSY-UHFFFAOYSA-N 1 2 219.263 1.931 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OC ZINC000336677526 385609017 /nfs/dbraw/zinc/60/90/17/385609017.db2.gz HWLGRMUFCRNITP-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO CC(C)=CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000365130431 385610748 /nfs/dbraw/zinc/61/07/48/385610748.db2.gz CMLNVYQTCLXTMH-LBPRGKRZSA-N 1 2 247.342 1.918 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000309493257 385612452 /nfs/dbraw/zinc/61/24/52/385612452.db2.gz XSWUAOWRKKADBG-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C1 ZINC000269594676 385612509 /nfs/dbraw/zinc/61/25/09/385612509.db2.gz UDQCJRONNJSPBP-ZYHUDNBSSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C)C1 ZINC000269594676 385612513 /nfs/dbraw/zinc/61/25/13/385612513.db2.gz UDQCJRONNJSPBP-ZYHUDNBSSA-N 1 2 234.299 1.638 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000337400766 385648430 /nfs/dbraw/zinc/64/84/30/385648430.db2.gz KPUPXCPAADNLPP-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000337400766 385648433 /nfs/dbraw/zinc/64/84/33/385648433.db2.gz KPUPXCPAADNLPP-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO C[C@H]1OCC[C@@H]1SCc1c[nH+]cn1C ZINC000269970871 385654053 /nfs/dbraw/zinc/65/40/53/385654053.db2.gz OIVWJIYUYHFOSE-SCZZXKLOSA-N 1 2 212.318 1.831 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1cccnc1 ZINC000054763575 385656006 /nfs/dbraw/zinc/65/60/06/385656006.db2.gz XMVVMQSFUXXYQC-VIFPVBQESA-N 1 2 202.261 1.656 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCCO1 ZINC000270015946 385659853 /nfs/dbraw/zinc/65/98/53/385659853.db2.gz CXGYLCVSSDUYMB-SNVBAGLBSA-N 1 2 235.287 1.265 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCCC1CC1 ZINC000643202093 385674497 /nfs/dbraw/zinc/67/44/97/385674497.db2.gz FXMHPFJFVFOPOB-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO Cc1c[nH+]c(CNc2cccnc2)n1C ZINC000336735130 385690713 /nfs/dbraw/zinc/69/07/13/385690713.db2.gz NZAOVEIHYFSBOG-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1c(F)cccc1F ZINC000645226481 385690950 /nfs/dbraw/zinc/69/09/50/385690950.db2.gz MAFBDQSVJPKFDM-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1c(F)cccc1F ZINC000645226481 385690955 /nfs/dbraw/zinc/69/09/55/385690955.db2.gz MAFBDQSVJPKFDM-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCCN(C)C2=O)cs1 ZINC000309564111 385694364 /nfs/dbraw/zinc/69/43/64/385694364.db2.gz LUTAUNXNTWCTCJ-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO C[N@H+](CCO)Cc1csc(C2CC2)n1 ZINC000270342765 385699095 /nfs/dbraw/zinc/69/90/95/385699095.db2.gz RBWMEEGDSZMSHQ-UHFFFAOYSA-N 1 2 212.318 1.445 20 0 BDADLO C[N@@H+](CCO)Cc1csc(C2CC2)n1 ZINC000270342765 385699099 /nfs/dbraw/zinc/69/90/99/385699099.db2.gz RBWMEEGDSZMSHQ-UHFFFAOYSA-N 1 2 212.318 1.445 20 0 BDADLO C[C@H](Cc1cnn(C)c1)Nc1cccc[nH+]1 ZINC000309588399 385712708 /nfs/dbraw/zinc/71/27/08/385712708.db2.gz SXRXNILNVCZAQP-SNVBAGLBSA-N 1 2 216.288 1.858 20 0 BDADLO C[C@@H](Cc1cnn(C)c1)Nc1cccc[nH+]1 ZINC000309588398 385713753 /nfs/dbraw/zinc/71/37/53/385713753.db2.gz SXRXNILNVCZAQP-JTQLQIEISA-N 1 2 216.288 1.858 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C1(CO)CC1 ZINC000331540909 385714906 /nfs/dbraw/zinc/71/49/06/385714906.db2.gz UIDBTFDPVVJGKJ-UHFFFAOYSA-N 1 2 238.335 1.059 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1(CO)CC1 ZINC000331540909 385714910 /nfs/dbraw/zinc/71/49/10/385714910.db2.gz UIDBTFDPVVJGKJ-UHFFFAOYSA-N 1 2 238.335 1.059 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408458444 385716157 /nfs/dbraw/zinc/71/61/57/385716157.db2.gz UGDTVDJVXNTLCF-IUCAKERBSA-N 1 2 243.282 1.703 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408458444 385716159 /nfs/dbraw/zinc/71/61/59/385716159.db2.gz UGDTVDJVXNTLCF-IUCAKERBSA-N 1 2 243.282 1.703 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](C)[C@H]2CO)[nH]1 ZINC000408375507 385742625 /nfs/dbraw/zinc/74/26/25/385742625.db2.gz OXSVCMRWFYFUEB-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](C)[C@H]2CO)[nH]1 ZINC000408375507 385742631 /nfs/dbraw/zinc/74/26/31/385742631.db2.gz OXSVCMRWFYFUEB-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000336724704 385744575 /nfs/dbraw/zinc/74/45/75/385744575.db2.gz GAKRDPDGDFCZFB-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000294014866 385786426 /nfs/dbraw/zinc/78/64/26/385786426.db2.gz UNCOCNIZPLOVGJ-ZETCQYMHSA-N 1 2 231.242 1.483 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294014866 385786429 /nfs/dbraw/zinc/78/64/29/385786429.db2.gz UNCOCNIZPLOVGJ-ZETCQYMHSA-N 1 2 231.242 1.483 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282327175 385753217 /nfs/dbraw/zinc/75/32/17/385753217.db2.gz UPRUDZVKWNZBAZ-GFCCVEGCSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282327175 385753224 /nfs/dbraw/zinc/75/32/24/385753224.db2.gz UPRUDZVKWNZBAZ-GFCCVEGCSA-N 1 2 232.327 1.658 20 0 BDADLO Cn1cnnc1[C@@H]1CCCN1c1cccc[nH+]1 ZINC000271110009 385786851 /nfs/dbraw/zinc/78/68/51/385786851.db2.gz PMGAVTJOKWYORC-JTQLQIEISA-N 1 2 229.287 1.552 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000408377450 385760572 /nfs/dbraw/zinc/76/05/72/385760572.db2.gz XDGFUDUMKWYYLB-JTQLQIEISA-N 1 2 238.335 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000408377450 385760577 /nfs/dbraw/zinc/76/05/77/385760577.db2.gz XDGFUDUMKWYYLB-JTQLQIEISA-N 1 2 238.335 1.396 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(CCO)C(C)C ZINC000183444462 385764102 /nfs/dbraw/zinc/76/41/02/385764102.db2.gz ZWFJSPOUQGAQSW-UHFFFAOYSA-N 1 2 237.303 1.625 20 0 BDADLO CC[C@H]1CN(C(=O)Nc2cc[nH+]cc2C)C[C@@H]1O ZINC000271116273 385787655 /nfs/dbraw/zinc/78/76/55/385787655.db2.gz HPKNPWOFDXPWQF-JQWIXIFHSA-N 1 2 249.314 1.625 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cnc(C(C)(C)C)s1 ZINC000271045102 385774458 /nfs/dbraw/zinc/77/44/58/385774458.db2.gz LCKBZDUMMICDKY-UHFFFAOYSA-N 1 2 241.360 1.358 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cnc(C(C)(C)C)s1 ZINC000271045102 385774460 /nfs/dbraw/zinc/77/44/60/385774460.db2.gz LCKBZDUMMICDKY-UHFFFAOYSA-N 1 2 241.360 1.358 20 0 BDADLO CCc1ncc(C[N@H+](CC(N)=O)C(C)C)s1 ZINC000271050235 385778165 /nfs/dbraw/zinc/77/81/65/385778165.db2.gz UVLFLBDMZSPFBQ-UHFFFAOYSA-N 1 2 241.360 1.401 20 0 BDADLO CCc1ncc(C[N@@H+](CC(N)=O)C(C)C)s1 ZINC000271050235 385778168 /nfs/dbraw/zinc/77/81/68/385778168.db2.gz UVLFLBDMZSPFBQ-UHFFFAOYSA-N 1 2 241.360 1.401 20 0 BDADLO CC[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000309676564 385782714 /nfs/dbraw/zinc/78/27/14/385782714.db2.gz XXQPERRCYGACGI-MRVPVSSYSA-N 1 2 220.276 1.449 20 0 BDADLO c1ncc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000294004899 385784743 /nfs/dbraw/zinc/78/47/43/385784743.db2.gz MMAWFRPTQQCOSC-UONOGXRCSA-N 1 2 245.326 1.620 20 0 BDADLO c1ncc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000294004899 385784746 /nfs/dbraw/zinc/78/47/46/385784746.db2.gz MMAWFRPTQQCOSC-UONOGXRCSA-N 1 2 245.326 1.620 20 0 BDADLO CN(c1[nH+]c2ccccc2n1C)[C@H]1CCOC1 ZINC000270578681 385719110 /nfs/dbraw/zinc/71/91/10/385719110.db2.gz PMMKOTPUZDQTJS-JTQLQIEISA-N 1 2 231.299 1.798 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000337586852 385721614 /nfs/dbraw/zinc/72/16/14/385721614.db2.gz SXYRXQOPJXJZPL-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]Cc2ccn(C)c2)no1 ZINC000270614822 385721772 /nfs/dbraw/zinc/72/17/72/385721772.db2.gz IWLPFXPDMSBWGA-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000271094778 385785450 /nfs/dbraw/zinc/78/54/50/385785450.db2.gz KMQWQSPOFNYRRC-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000271094778 385785456 /nfs/dbraw/zinc/78/54/56/385785456.db2.gz KMQWQSPOFNYRRC-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CCc2nnc(C)[nH]2)nn1C ZINC000282954722 385800582 /nfs/dbraw/zinc/80/05/82/385800582.db2.gz ZKWHZACPOFIKRR-SECBINFHSA-N 1 2 248.334 1.048 20 0 BDADLO CCOc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000183871716 385801447 /nfs/dbraw/zinc/80/14/47/385801447.db2.gz WJYXMJIYPQPBGN-UHFFFAOYSA-N 1 2 245.269 1.803 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)C1CC1)C2 ZINC000365821490 385809793 /nfs/dbraw/zinc/80/97/93/385809793.db2.gz AIWYBNHFIFTESL-CMPLNLGQSA-N 1 2 247.342 1.669 20 0 BDADLO CC1(C)SC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000283183310 385812926 /nfs/dbraw/zinc/81/29/26/385812926.db2.gz DXEYDVAZVVDSCY-VIFPVBQESA-N 1 2 239.344 1.283 20 0 BDADLO CCN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283426185 385818968 /nfs/dbraw/zinc/81/89/68/385818968.db2.gz IZOBFCCXKIKGSM-ONEGZZNKSA-N 1 2 247.220 1.834 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CC=CCC1 ZINC000283556937 385821850 /nfs/dbraw/zinc/82/18/50/385821850.db2.gz UMNZHPTWSBHUCL-XUIVZRPNSA-N 1 2 231.299 1.895 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@H]1C(F)F ZINC000337903978 385822029 /nfs/dbraw/zinc/82/20/29/385822029.db2.gz SUOVAMJVYVXZNN-SFYZADRCSA-N 1 2 243.257 1.280 20 0 BDADLO FC[C@@H]1CCC[N@@H+]1Cc1cnc2cnccn12 ZINC000294233685 385826461 /nfs/dbraw/zinc/82/64/61/385826461.db2.gz ZLVDKZVPHOEJME-JTQLQIEISA-N 1 2 234.278 1.663 20 0 BDADLO FC[C@@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000294233685 385826465 /nfs/dbraw/zinc/82/64/65/385826465.db2.gz ZLVDKZVPHOEJME-JTQLQIEISA-N 1 2 234.278 1.663 20 0 BDADLO Cc1cnc([C@@H]2CCCC[N@@H+]2CC(N)=O)s1 ZINC000366631105 385858046 /nfs/dbraw/zinc/85/80/46/385858046.db2.gz NMYBNNZUOQQUOL-VIFPVBQESA-N 1 2 239.344 1.464 20 0 BDADLO Cc1cnc([C@@H]2CCCC[N@H+]2CC(N)=O)s1 ZINC000366631105 385858047 /nfs/dbraw/zinc/85/80/47/385858047.db2.gz NMYBNNZUOQQUOL-VIFPVBQESA-N 1 2 239.344 1.464 20 0 BDADLO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458463 385833663 /nfs/dbraw/zinc/83/36/63/385833663.db2.gz OLZXFFACEUDMHH-SCZZXKLOSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458463 385833666 /nfs/dbraw/zinc/83/36/66/385833666.db2.gz OLZXFFACEUDMHH-SCZZXKLOSA-N 1 2 236.319 1.027 20 0 BDADLO Cc1cccnc1[C@H]([NH2+]Cc1cnn[nH]1)C(C)C ZINC000283941330 385840659 /nfs/dbraw/zinc/84/06/59/385840659.db2.gz KXBZNAUWPOFRSJ-GFCCVEGCSA-N 1 2 245.330 1.995 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC=C(F)C1 ZINC000271623156 385841627 /nfs/dbraw/zinc/84/16/27/385841627.db2.gz MONKGQRCDWOVME-MRVPVSSYSA-N 1 2 200.257 1.022 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC=C(F)C1 ZINC000271623156 385841631 /nfs/dbraw/zinc/84/16/31/385841631.db2.gz MONKGQRCDWOVME-MRVPVSSYSA-N 1 2 200.257 1.022 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2ccncc2)n1 ZINC000284008037 385845132 /nfs/dbraw/zinc/84/51/32/385845132.db2.gz MUKJMEFBHCZFGP-UHFFFAOYSA-N 1 2 232.287 1.798 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](CO)CC(C)(C)C)c[nH+]1 ZINC000271704379 385846522 /nfs/dbraw/zinc/84/65/22/385846522.db2.gz VEXRSJNHAAWDJT-SECBINFHSA-N 1 2 239.319 1.245 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121501724 385848320 /nfs/dbraw/zinc/84/83/20/385848320.db2.gz GCYSJLSZTYYJRJ-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000121501724 385848323 /nfs/dbraw/zinc/84/83/23/385848323.db2.gz GCYSJLSZTYYJRJ-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO CO[C@@H](C)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000271126778 385789525 /nfs/dbraw/zinc/78/95/25/385789525.db2.gz LHAHWTGGTBWNNF-JTQLQIEISA-N 1 2 237.303 1.937 20 0 BDADLO COC[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000271125340 385790655 /nfs/dbraw/zinc/79/06/55/385790655.db2.gz KRXPTLIQVWSAHO-LLVKDONJSA-N 1 2 249.314 1.890 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)C/C=C/c1ccncc1 ZINC000494980746 533147028 /nfs/dbraw/zinc/14/70/28/533147028.db2.gz QUXQTCNPEHZLNL-AATRIKPKSA-N 1 2 248.326 1.978 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)C/C=C/c1ccncc1 ZINC000494980746 533147034 /nfs/dbraw/zinc/14/70/34/533147034.db2.gz QUXQTCNPEHZLNL-AATRIKPKSA-N 1 2 248.326 1.978 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccn(C)n1 ZINC000271172055 385795851 /nfs/dbraw/zinc/79/58/51/385795851.db2.gz IBZHRMZAHMFHBK-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccn(C)n1 ZINC000271172055 385795852 /nfs/dbraw/zinc/79/58/52/385795852.db2.gz IBZHRMZAHMFHBK-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000338075864 385890099 /nfs/dbraw/zinc/89/00/99/385890099.db2.gz JIHGOFIPCDMECH-GFCCVEGCSA-N 1 2 235.331 1.920 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccccc3F)[C@@H]12 ZINC000366639854 385893426 /nfs/dbraw/zinc/89/34/26/385893426.db2.gz JCWJMCOVBFSVHH-ZWNOBZJWSA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccccc3F)[C@@H]12 ZINC000366639854 385893431 /nfs/dbraw/zinc/89/34/31/385893431.db2.gz JCWJMCOVBFSVHH-ZWNOBZJWSA-N 1 2 249.285 1.963 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(Cc2cc[nH]n2)CC1(C)C ZINC000294789224 385894962 /nfs/dbraw/zinc/89/49/62/385894962.db2.gz LUZYSQHDSNULSA-LLVKDONJSA-N 1 2 245.330 1.726 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC(O)C1 ZINC000408392200 385903227 /nfs/dbraw/zinc/90/32/27/385903227.db2.gz FLTVPXBIDKDAQT-UHFFFAOYSA-N 1 2 238.335 1.057 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC(O)C1 ZINC000408392200 385903230 /nfs/dbraw/zinc/90/32/30/385903230.db2.gz FLTVPXBIDKDAQT-UHFFFAOYSA-N 1 2 238.335 1.057 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000294842049 385904076 /nfs/dbraw/zinc/90/40/76/385904076.db2.gz ZFHDVMJKPGSJHG-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000294842049 385904079 /nfs/dbraw/zinc/90/40/79/385904079.db2.gz ZFHDVMJKPGSJHG-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cn(C)nn1 ZINC000335033907 385923220 /nfs/dbraw/zinc/92/32/20/385923220.db2.gz IGCXSBADVAFZMU-SNVBAGLBSA-N 1 2 228.299 1.892 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cn(C)nn1 ZINC000335033907 385923224 /nfs/dbraw/zinc/92/32/24/385923224.db2.gz IGCXSBADVAFZMU-SNVBAGLBSA-N 1 2 228.299 1.892 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CCCOC1 ZINC000272694881 385923461 /nfs/dbraw/zinc/92/34/61/385923461.db2.gz HEWYNDZNRGUSRU-LBPRGKRZSA-N 1 2 237.303 1.151 20 0 BDADLO CC(=O)c1ccc(O)c(NC(=O)C[NH+](C)C)c1 ZINC000272678498 385924819 /nfs/dbraw/zinc/92/48/19/385924819.db2.gz MMBDBYBBJDUWOF-UHFFFAOYSA-N 1 2 236.271 1.095 20 0 BDADLO CCc1ccc([C@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000285404783 385924884 /nfs/dbraw/zinc/92/48/84/385924884.db2.gz FLNDPYWSJYLYDI-CQSZACIVSA-N 1 2 245.326 1.795 20 0 BDADLO Cc1oncc1C[N@@H+](C)Cc1cnccn1 ZINC000189085239 385925929 /nfs/dbraw/zinc/92/59/29/385925929.db2.gz JYLSMYNUKUJYPC-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO Cc1oncc1C[N@H+](C)Cc1cnccn1 ZINC000189085239 385925936 /nfs/dbraw/zinc/92/59/36/385925936.db2.gz JYLSMYNUKUJYPC-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO CN(C(=O)[C@@H]([NH3+])c1c(F)cccc1F)C1CC1 ZINC000335035634 385926418 /nfs/dbraw/zinc/92/64/18/385926418.db2.gz WQPROIMOFUFXNS-NSHDSACASA-N 1 2 240.253 1.585 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CCC=C(F)C2)c[nH]1 ZINC000272738929 385927193 /nfs/dbraw/zinc/92/71/93/385927193.db2.gz ICQOIPSGPVXCRP-UHFFFAOYSA-N 1 2 238.262 1.860 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CCC=C(F)C2)c[nH]1 ZINC000272738929 385927203 /nfs/dbraw/zinc/92/72/03/385927203.db2.gz ICQOIPSGPVXCRP-UHFFFAOYSA-N 1 2 238.262 1.860 20 0 BDADLO CS[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000294958569 385927470 /nfs/dbraw/zinc/92/74/70/385927470.db2.gz JSNYSBVDPCMZDE-MRVPVSSYSA-N 1 2 249.343 1.305 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)nc1 ZINC000271917593 385860846 /nfs/dbraw/zinc/86/08/46/385860846.db2.gz JUTUEINLRHTDDC-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)nc1 ZINC000271917593 385860849 /nfs/dbraw/zinc/86/08/49/385860849.db2.gz JUTUEINLRHTDDC-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO CO[C@@H](C[N@@H+]1CCN(C)C(=O)C1)c1ccccc1 ZINC000284323357 385861397 /nfs/dbraw/zinc/86/13/97/385861397.db2.gz IDYMWGIWXDFWOG-ZDUSSCGKSA-N 1 2 248.326 1.148 20 0 BDADLO CO[C@@H](C[N@H+]1CCN(C)C(=O)C1)c1ccccc1 ZINC000284323357 385861400 /nfs/dbraw/zinc/86/14/00/385861400.db2.gz IDYMWGIWXDFWOG-ZDUSSCGKSA-N 1 2 248.326 1.148 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccncc1 ZINC000284324694 385862511 /nfs/dbraw/zinc/86/25/11/385862511.db2.gz WQEJTDOYMNWJHQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccncc1 ZINC000284324694 385862514 /nfs/dbraw/zinc/86/25/14/385862514.db2.gz WQEJTDOYMNWJHQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccncc1 ZINC000284324694 385862517 /nfs/dbraw/zinc/86/25/17/385862517.db2.gz WQEJTDOYMNWJHQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccncc1 ZINC000284324694 385862520 /nfs/dbraw/zinc/86/25/20/385862520.db2.gz WQEJTDOYMNWJHQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000647808472 385865135 /nfs/dbraw/zinc/86/51/35/385865135.db2.gz NSRMORIXGQNJBU-VGMNWLOBSA-N 1 2 223.276 1.012 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284503248 385872288 /nfs/dbraw/zinc/87/22/88/385872288.db2.gz VCITZGDXHLLNEK-OKWQPMOJSA-N 1 2 235.287 1.059 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000294622432 385875461 /nfs/dbraw/zinc/87/54/61/385875461.db2.gz JGBVWNGOTRICDH-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000294622432 385875464 /nfs/dbraw/zinc/87/54/64/385875464.db2.gz JGBVWNGOTRICDH-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1noc(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000272124156 385876393 /nfs/dbraw/zinc/87/63/93/385876393.db2.gz QUFWWHBRIAXALN-NSHDSACASA-N 1 2 233.271 1.201 20 0 BDADLO Cc1nc(CN2CCn3c[nH+]cc3C2)oc1C ZINC000647940750 385882886 /nfs/dbraw/zinc/88/28/86/385882886.db2.gz WTNSJEHWPPGKNN-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000272186178 385883214 /nfs/dbraw/zinc/88/32/14/385883214.db2.gz JYAONNCJNPZLPI-RYUDHWBXSA-N 1 2 235.331 1.772 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)[C@@H](CO)c1ccccc1 ZINC000295132851 385976156 /nfs/dbraw/zinc/97/61/56/385976156.db2.gz YLAJDWYCCZSXDC-ZDUSSCGKSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)[C@@H](CO)c1ccccc1 ZINC000295132851 385976161 /nfs/dbraw/zinc/97/61/61/385976161.db2.gz YLAJDWYCCZSXDC-ZDUSSCGKSA-N 1 2 231.299 1.575 20 0 BDADLO Cn1c2ccccc2[nH+]c1N(CCO)C1CCC1 ZINC000221039181 385977958 /nfs/dbraw/zinc/97/79/58/385977958.db2.gz HKNSYORBPHHPKR-UHFFFAOYSA-N 1 2 245.326 1.925 20 0 BDADLO COCC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000338376070 385985318 /nfs/dbraw/zinc/98/53/18/385985318.db2.gz JHULOJJXUZRTGX-QMMMGPOBSA-N 1 2 242.323 1.051 20 0 BDADLO Cc1[nH]c(C(=O)NC2(CCO)CCCC2)c[nH+]1 ZINC000286005395 385985804 /nfs/dbraw/zinc/98/58/04/385985804.db2.gz LYZBDKDGXAUCFX-UHFFFAOYSA-N 1 2 237.303 1.143 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295188656 385987421 /nfs/dbraw/zinc/98/74/21/385987421.db2.gz QSLDGSCWHXWIFS-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295188656 385987428 /nfs/dbraw/zinc/98/74/28/385987428.db2.gz QSLDGSCWHXWIFS-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)CCO1 ZINC000338391894 385991704 /nfs/dbraw/zinc/99/17/04/385991704.db2.gz KBBXFJYDOWPSMW-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)CCO1 ZINC000338391894 385991713 /nfs/dbraw/zinc/99/17/13/385991713.db2.gz KBBXFJYDOWPSMW-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1nc(N2CCC(F)(F)C2)nc(N(C)C)[nH+]1 ZINC000345084241 385992012 /nfs/dbraw/zinc/99/20/12/385992012.db2.gz WMVNEAVOZRQWRO-UHFFFAOYSA-N 1 2 243.261 1.091 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC(F)(F)C2)[nH+]1 ZINC000345084241 385992017 /nfs/dbraw/zinc/99/20/17/385992017.db2.gz WMVNEAVOZRQWRO-UHFFFAOYSA-N 1 2 243.261 1.091 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cscn1 ZINC000282676764 385941050 /nfs/dbraw/zinc/94/10/50/385941050.db2.gz JKRAQYIKTWIVFI-SFYZADRCSA-N 1 2 245.323 1.268 20 0 BDADLO OCC[N@@H+](Cc1nc(C(F)F)no1)CC1CC1 ZINC000425399720 385948274 /nfs/dbraw/zinc/94/82/74/385948274.db2.gz BPMJVESMSOGJNG-UHFFFAOYSA-N 1 2 247.245 1.212 20 0 BDADLO OCC[N@H+](Cc1nc(C(F)F)no1)CC1CC1 ZINC000425399720 385948281 /nfs/dbraw/zinc/94/82/81/385948281.db2.gz BPMJVESMSOGJNG-UHFFFAOYSA-N 1 2 247.245 1.212 20 0 BDADLO Cc1nc(N2CC(C(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000295031805 385948727 /nfs/dbraw/zinc/94/87/27/385948727.db2.gz RVLRPQJPVUAWJH-UHFFFAOYSA-N 1 2 249.314 1.563 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CC2(F)F)cc(C)[nH+]1 ZINC000335052690 385951691 /nfs/dbraw/zinc/95/16/91/385951691.db2.gz GJDRNYURCAKJBP-JTQLQIEISA-N 1 2 240.253 1.970 20 0 BDADLO CC[N@H+](CCO)[C@H](C)c1nnc(C)s1 ZINC000338306880 385952534 /nfs/dbraw/zinc/95/25/34/385952534.db2.gz OPAADPYMCGPVPP-SSDOTTSWSA-N 1 2 215.322 1.222 20 0 BDADLO CC[N@@H+](CCO)[C@H](C)c1nnc(C)s1 ZINC000338306880 385952540 /nfs/dbraw/zinc/95/25/40/385952540.db2.gz OPAADPYMCGPVPP-SSDOTTSWSA-N 1 2 215.322 1.222 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000643250812 385956236 /nfs/dbraw/zinc/95/62/36/385956236.db2.gz CNAMHFSUASOBOX-NSHDSACASA-N 1 2 243.738 1.276 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C[C@H](O)C2CC2)n1 ZINC000643250812 385956244 /nfs/dbraw/zinc/95/62/44/385956244.db2.gz CNAMHFSUASOBOX-NSHDSACASA-N 1 2 243.738 1.276 20 0 BDADLO CCC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425404317 385965987 /nfs/dbraw/zinc/96/59/87/385965987.db2.gz VWLUDWDFFDSJPC-UHFFFAOYSA-N 1 2 205.208 1.849 20 0 BDADLO CCC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425404317 385965991 /nfs/dbraw/zinc/96/59/91/385965991.db2.gz VWLUDWDFFDSJPC-UHFFFAOYSA-N 1 2 205.208 1.849 20 0 BDADLO CC[N@H+](CCCO)[C@H](C)c1nnc(C)s1 ZINC000338321623 385967526 /nfs/dbraw/zinc/96/75/26/385967526.db2.gz ULAAOPXUQSNFSZ-MRVPVSSYSA-N 1 2 229.349 1.612 20 0 BDADLO CC[N@@H+](CCCO)[C@H](C)c1nnc(C)s1 ZINC000338321623 385967530 /nfs/dbraw/zinc/96/75/30/385967530.db2.gz ULAAOPXUQSNFSZ-MRVPVSSYSA-N 1 2 229.349 1.612 20 0 BDADLO CCOc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295113267 385970294 /nfs/dbraw/zinc/97/02/94/385970294.db2.gz WISYIPQCZSYUFQ-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295113267 385970304 /nfs/dbraw/zinc/97/03/04/385970304.db2.gz WISYIPQCZSYUFQ-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)CC(C)(C)CO ZINC000295127963 385971561 /nfs/dbraw/zinc/97/15/61/385971561.db2.gz AOSXTMWSLUIMFV-UHFFFAOYSA-N 1 2 238.331 1.158 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)CC(C)(C)CO ZINC000295127963 385971568 /nfs/dbraw/zinc/97/15/68/385971568.db2.gz AOSXTMWSLUIMFV-UHFFFAOYSA-N 1 2 238.331 1.158 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)o1 ZINC000189302118 385974566 /nfs/dbraw/zinc/97/45/66/385974566.db2.gz PBEREUYMZGZCTM-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)o1 ZINC000189302118 385974572 /nfs/dbraw/zinc/97/45/72/385974572.db2.gz PBEREUYMZGZCTM-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1ccoc1 ZINC000345099819 385997913 /nfs/dbraw/zinc/99/79/13/385997913.db2.gz SBLCXLSTBAEYPA-UHFFFAOYSA-N 1 2 224.304 1.628 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345099819 385997916 /nfs/dbraw/zinc/99/79/16/385997916.db2.gz SBLCXLSTBAEYPA-UHFFFAOYSA-N 1 2 224.304 1.628 20 0 BDADLO CCNC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335072502 386011255 /nfs/dbraw/zinc/01/12/55/386011255.db2.gz YXJCRCYXMCQJNI-MRVPVSSYSA-N 1 2 208.265 1.276 20 0 BDADLO CCOC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000336752059 386012885 /nfs/dbraw/zinc/01/28/85/386012885.db2.gz DEKKKIHZTOWOML-VIFPVBQESA-N 1 2 221.304 1.613 20 0 BDADLO CC[C@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)CCO1 ZINC000335069813 386016598 /nfs/dbraw/zinc/01/65/98/386016598.db2.gz RDSMUAHVJHMWAU-ZJUUUORDSA-N 1 2 237.303 1.406 20 0 BDADLO CC[C@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000309679351 386021947 /nfs/dbraw/zinc/02/19/47/386021947.db2.gz ZAHUKVXNHNRJIM-VIFPVBQESA-N 1 2 223.320 1.957 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000295392624 386022444 /nfs/dbraw/zinc/02/24/44/386022444.db2.gz PZPYBLRWGSIBFP-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000295392624 386022452 /nfs/dbraw/zinc/02/24/52/386022452.db2.gz PZPYBLRWGSIBFP-VXGBXAGGSA-N 1 2 222.288 1.736 20 0 BDADLO CSCC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425420208 386040791 /nfs/dbraw/zinc/04/07/91/386040791.db2.gz KOJKGOBRJHHKOM-UHFFFAOYSA-N 1 2 237.275 1.802 20 0 BDADLO CSCC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425420208 386040798 /nfs/dbraw/zinc/04/07/98/386040798.db2.gz KOJKGOBRJHHKOM-UHFFFAOYSA-N 1 2 237.275 1.802 20 0 BDADLO CSCc1cnc(C[N@@H+]2CC[C@H](O)C2)s1 ZINC000295506039 386044483 /nfs/dbraw/zinc/04/44/83/386044483.db2.gz YSGVKLHJVCOYEG-QMMMGPOBSA-N 1 2 244.385 1.573 20 0 BDADLO CSCc1cnc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000295506039 386044492 /nfs/dbraw/zinc/04/44/92/386044492.db2.gz YSGVKLHJVCOYEG-QMMMGPOBSA-N 1 2 244.385 1.573 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425422451 386044938 /nfs/dbraw/zinc/04/49/38/386044938.db2.gz PAJGYQRBUKSRIJ-SNVBAGLBSA-N 1 2 247.245 1.354 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425422451 386044943 /nfs/dbraw/zinc/04/49/43/386044943.db2.gz PAJGYQRBUKSRIJ-SNVBAGLBSA-N 1 2 247.245 1.354 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CCO[C@@H]2C)cc(C)[nH+]1 ZINC000335076642 386046925 /nfs/dbraw/zinc/04/69/25/386046925.db2.gz ZXVLGKYTIBGRMS-DGCLKSJQSA-N 1 2 248.326 1.740 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000286561554 386052230 /nfs/dbraw/zinc/05/22/30/386052230.db2.gz TXYJUHZVWRMXDS-LLVKDONJSA-N 1 2 242.269 1.938 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1Cc1ccccn1 ZINC000286561554 386052234 /nfs/dbraw/zinc/05/22/34/386052234.db2.gz TXYJUHZVWRMXDS-LLVKDONJSA-N 1 2 242.269 1.938 20 0 BDADLO OCC[C@@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425434482 386054129 /nfs/dbraw/zinc/05/41/29/386054129.db2.gz QALHOVVBNBCMIH-ZETCQYMHSA-N 1 2 247.245 1.354 20 0 BDADLO OCC[C@@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425434482 386054132 /nfs/dbraw/zinc/05/41/32/386054132.db2.gz QALHOVVBNBCMIH-ZETCQYMHSA-N 1 2 247.245 1.354 20 0 BDADLO CCCC(=O)OCc1c[nH+]ccc1OC ZINC000287196928 386101431 /nfs/dbraw/zinc/10/14/31/386101431.db2.gz PEXMZKUAJJTNGB-UHFFFAOYSA-N 1 2 209.245 1.934 20 0 BDADLO CC[C@@H](C)[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000295903420 386103284 /nfs/dbraw/zinc/10/32/84/386103284.db2.gz ZIKBCAZHUUBGSX-KCJUWKMLSA-N 1 2 239.319 1.509 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC[C@@H](OC)C2)n1 ZINC000076344936 386123936 /nfs/dbraw/zinc/12/39/36/386123936.db2.gz OUCQVRJQPRUCDQ-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCC[C@@H](OC)C2)n1 ZINC000076344936 386123940 /nfs/dbraw/zinc/12/39/40/386123940.db2.gz OUCQVRJQPRUCDQ-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC1(C)C ZINC000287411203 386118791 /nfs/dbraw/zinc/11/87/91/386118791.db2.gz ZJVGYYIFZKIVGY-SNVBAGLBSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC1(C)C ZINC000287411203 386118798 /nfs/dbraw/zinc/11/87/98/386118798.db2.gz ZJVGYYIFZKIVGY-SNVBAGLBSA-N 1 2 221.304 1.565 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccsc1 ZINC000345165599 386062792 /nfs/dbraw/zinc/06/27/92/386062792.db2.gz YZTLTWOXEFDTEZ-SECBINFHSA-N 1 2 249.339 1.934 20 0 BDADLO Cc1cnccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000334443879 386064969 /nfs/dbraw/zinc/06/49/69/386064969.db2.gz FLAYPFPCWLYABE-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000440689874 386079276 /nfs/dbraw/zinc/07/92/76/386079276.db2.gz DXLSWFZNBARZDG-NWDGAFQWSA-N 1 2 241.310 1.332 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000440689874 386079282 /nfs/dbraw/zinc/07/92/82/386079282.db2.gz DXLSWFZNBARZDG-NWDGAFQWSA-N 1 2 241.310 1.332 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CC[C@@H](C)O ZINC000425445250 386080416 /nfs/dbraw/zinc/08/04/16/386080416.db2.gz MMEXFRHKFHTMKN-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CC[C@@H](C)O ZINC000425445250 386080421 /nfs/dbraw/zinc/08/04/21/386080421.db2.gz MMEXFRHKFHTMKN-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO COc1ncccc1OCc1c[nH+]cn1C ZINC000274194704 386081030 /nfs/dbraw/zinc/08/10/30/386081030.db2.gz FYVPWLVZEHIHPX-UHFFFAOYSA-N 1 2 219.244 1.403 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccncc1)C1CC1 ZINC000234552401 386081297 /nfs/dbraw/zinc/08/12/97/386081297.db2.gz GRUMNOXVGXKRTE-LBPRGKRZSA-N 1 2 234.299 1.165 20 0 BDADLO C[C@H](C[N@H+](C)Cc1ccco1)CS(C)(=O)=O ZINC000162371302 386084301 /nfs/dbraw/zinc/08/43/01/386084301.db2.gz NWKPSVRFPIYCQZ-SNVBAGLBSA-N 1 2 245.344 1.392 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1ccco1)CS(C)(=O)=O ZINC000162371302 386084308 /nfs/dbraw/zinc/08/43/08/386084308.db2.gz NWKPSVRFPIYCQZ-SNVBAGLBSA-N 1 2 245.344 1.392 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](C)(F)C1 ZINC000295781590 386084322 /nfs/dbraw/zinc/08/43/22/386084322.db2.gz QDLYQBILLZBUGW-GFCCVEGCSA-N 1 2 239.294 1.611 20 0 BDADLO CCOC[C@@H]([NH2+][C@@H](CC)C(=O)OC)C(C)C ZINC000189807949 386090302 /nfs/dbraw/zinc/09/03/02/386090302.db2.gz KEJIKJJCZVSMDL-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO CCOC[C@H]([NH2+][C@H](CC)C(=O)OC)C(C)C ZINC000189807928 386092055 /nfs/dbraw/zinc/09/20/55/386092055.db2.gz KEJIKJJCZVSMDL-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO c1nc(N[C@@H]2C[C@H]3C[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000644883899 386093672 /nfs/dbraw/zinc/09/36/72/386093672.db2.gz LORSUPRPUIJVBW-AYMMMOKOSA-N 1 2 232.287 1.491 20 0 BDADLO c1nc2c(c(N[C@@H]3C[C@H]4C[C@H]4C3)[nH+]1)OCCN2 ZINC000644883899 386093676 /nfs/dbraw/zinc/09/36/76/386093676.db2.gz LORSUPRPUIJVBW-AYMMMOKOSA-N 1 2 232.287 1.491 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334457936 386096808 /nfs/dbraw/zinc/09/68/08/386096808.db2.gz JFFIGERATGLFBQ-GXFFZTMASA-N 1 2 242.338 1.868 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334457936 386096813 /nfs/dbraw/zinc/09/68/13/386096813.db2.gz JFFIGERATGLFBQ-GXFFZTMASA-N 1 2 242.338 1.868 20 0 BDADLO CN(C)c1[nH+]cc(CNc2ccccn2)n1C ZINC000414285760 386097048 /nfs/dbraw/zinc/09/70/48/386097048.db2.gz BTIHEISQUASPKC-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CC(C)c1nc(NC[C@]2(O)CCC[C@H]2C)cc[nH+]1 ZINC000338806435 386145104 /nfs/dbraw/zinc/14/51/04/386145104.db2.gz AJEZAFWFXLTEES-BXUZGUMPSA-N 1 2 249.358 1.985 20 0 BDADLO CONC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000365527309 386146950 /nfs/dbraw/zinc/14/69/50/386146950.db2.gz HTZOGEXLDSFZFF-NSHDSACASA-N 1 2 249.314 1.284 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@@H]1F ZINC000338825254 386147282 /nfs/dbraw/zinc/14/72/82/386147282.db2.gz VCZRVCNYVDSTLG-DTWKUNHWSA-N 1 2 235.266 1.666 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)o1 ZINC000190078322 386147408 /nfs/dbraw/zinc/14/74/08/386147408.db2.gz KKYVQZGTAUHSBN-JTQLQIEISA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)o1 ZINC000190078322 386147412 /nfs/dbraw/zinc/14/74/12/386147412.db2.gz KKYVQZGTAUHSBN-JTQLQIEISA-N 1 2 236.315 1.505 20 0 BDADLO CN(CC(C)(C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000287856592 386151016 /nfs/dbraw/zinc/15/10/16/386151016.db2.gz WDNZLZXWVFMCCT-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO Cc1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)c(C)c(C)[nH+]1 ZINC000366165025 386152906 /nfs/dbraw/zinc/15/29/06/386152906.db2.gz BTRIJSSHTUNNRI-GDNZZTSVSA-N 1 2 233.315 1.076 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(C)nn2)CCO1 ZINC000414369919 386153675 /nfs/dbraw/zinc/15/36/75/386153675.db2.gz KLOBMXZDPHGUPK-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(C)nn2)CCO1 ZINC000414369919 386153679 /nfs/dbraw/zinc/15/36/79/386153679.db2.gz KLOBMXZDPHGUPK-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CSC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287908108 386153947 /nfs/dbraw/zinc/15/39/47/386153947.db2.gz FWMFZSAZNZFLJA-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO Clc1ccc2c(c1)C[N@@H+](CCn1cncn1)C2 ZINC000335159379 386155304 /nfs/dbraw/zinc/15/53/04/386155304.db2.gz IUGROQGLSLGVPU-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ccc2c(c1)C[N@H+](CCn1cncn1)C2 ZINC000335159379 386155309 /nfs/dbraw/zinc/15/53/09/386155309.db2.gz IUGROQGLSLGVPU-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO C[C@H]1CN(C)CC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000356220502 386156177 /nfs/dbraw/zinc/15/61/77/386156177.db2.gz HJZUZAKKFMMDLU-JTQLQIEISA-N 1 2 245.330 1.045 20 0 BDADLO C[C@H]1CN(C)CC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000356220502 386156182 /nfs/dbraw/zinc/15/61/82/386156182.db2.gz HJZUZAKKFMMDLU-JTQLQIEISA-N 1 2 245.330 1.045 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000296279435 386159496 /nfs/dbraw/zinc/15/94/96/386159496.db2.gz QBTUNOSNOUIVPE-HMDXOVGESA-N 1 2 235.287 1.107 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccs2)CC[S@@]1=O ZINC000334477718 386164101 /nfs/dbraw/zinc/16/41/01/386164101.db2.gz PQCPKVGFFJHIPB-XPTSAGLGSA-N 1 2 229.370 1.701 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccs2)CC[S@@]1=O ZINC000334477718 386164105 /nfs/dbraw/zinc/16/41/05/386164105.db2.gz PQCPKVGFFJHIPB-XPTSAGLGSA-N 1 2 229.370 1.701 20 0 BDADLO COC(=O)[C@H](C)Sc1[nH+]cnc2[nH]ccc21 ZINC000263716635 386169882 /nfs/dbraw/zinc/16/98/82/386169882.db2.gz AROUMPDUXLICLX-LURJTMIESA-N 1 2 237.284 1.612 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263907644 386191309 /nfs/dbraw/zinc/19/13/09/386191309.db2.gz IOMRJBYRGXDJCE-MNOVXSKESA-N 1 2 249.314 1.152 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263873543 386186458 /nfs/dbraw/zinc/18/64/58/386186458.db2.gz UOWKGKWJXBIPAJ-VIFPVBQESA-N 1 2 233.271 1.616 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cncc(F)c1 ZINC000275168054 386187998 /nfs/dbraw/zinc/18/79/98/386187998.db2.gz WJEMDPOZXXXIRJ-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cncc(F)c1 ZINC000275168054 386188005 /nfs/dbraw/zinc/18/80/05/386188005.db2.gz WJEMDPOZXXXIRJ-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CC(C)(O)C[N@H+](Cc1csnn1)C1CC1 ZINC000189944433 386124705 /nfs/dbraw/zinc/12/47/05/386124705.db2.gz RVGPZNGYGOKMFF-UHFFFAOYSA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(O)C[N@@H+](Cc1csnn1)C1CC1 ZINC000189944433 386124711 /nfs/dbraw/zinc/12/47/11/386124711.db2.gz RVGPZNGYGOKMFF-UHFFFAOYSA-N 1 2 227.333 1.273 20 0 BDADLO CC[C@H]1C[NH+](Cc2cnccn2)C[C@H](CC)O1 ZINC000643294879 386132416 /nfs/dbraw/zinc/13/24/16/386132416.db2.gz GVPSQNQSVNZEPD-STQMWFEESA-N 1 2 235.331 1.866 20 0 BDADLO C[C@@H](CO)CCCNc1nc[nH+]c(N)c1Cl ZINC000235111641 386137401 /nfs/dbraw/zinc/13/74/01/386137401.db2.gz NTWWWVCVNOJILN-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@@H](CO)CCCNc1[nH+]cnc(N)c1Cl ZINC000235111641 386137405 /nfs/dbraw/zinc/13/74/05/386137405.db2.gz NTWWWVCVNOJILN-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000647969587 386204160 /nfs/dbraw/zinc/20/41/60/386204160.db2.gz FNHTUVHAKHFMRD-CYBMUJFWSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000647969587 386204168 /nfs/dbraw/zinc/20/41/68/386204168.db2.gz FNHTUVHAKHFMRD-CYBMUJFWSA-N 1 2 243.314 1.579 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H](O)c1ccccc1 ZINC000288539866 386212573 /nfs/dbraw/zinc/21/25/73/386212573.db2.gz KSYBQIUVIGCIAI-ZWNOBZJWSA-N 1 2 231.299 1.621 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(F)(F)F ZINC000288615569 386220673 /nfs/dbraw/zinc/22/06/73/386220673.db2.gz NUUSKDJDZFLYCT-LURJTMIESA-N 1 2 235.209 1.409 20 0 BDADLO C[N@H+](Cc1cnns1)[C@@H](CO)c1ccccc1 ZINC000297182627 386231585 /nfs/dbraw/zinc/23/15/85/386231585.db2.gz QBGUBCVODNATFI-LBPRGKRZSA-N 1 2 249.339 1.704 20 0 BDADLO C[N@@H+](Cc1cnns1)[C@@H](CO)c1ccccc1 ZINC000297182627 386231589 /nfs/dbraw/zinc/23/15/89/386231589.db2.gz QBGUBCVODNATFI-LBPRGKRZSA-N 1 2 249.339 1.704 20 0 BDADLO CSCC[N@H+](C)Cc1nc(C2CC2)no1 ZINC000336649340 386260505 /nfs/dbraw/zinc/26/05/05/386260505.db2.gz QXHGHCHUVPBUGM-UHFFFAOYSA-N 1 2 227.333 1.742 20 0 BDADLO CSCC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000336649340 386260510 /nfs/dbraw/zinc/26/05/10/386260510.db2.gz QXHGHCHUVPBUGM-UHFFFAOYSA-N 1 2 227.333 1.742 20 0 BDADLO CC[N@H+](CCCO)Cc1c(Cl)cnn1C ZINC000275757110 386235082 /nfs/dbraw/zinc/23/50/82/386235082.db2.gz UBYLVWAHBOVONB-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CC[N@@H+](CCCO)Cc1c(Cl)cnn1C ZINC000275757110 386235087 /nfs/dbraw/zinc/23/50/87/386235087.db2.gz UBYLVWAHBOVONB-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCn1ccnn1 ZINC000264465919 386238936 /nfs/dbraw/zinc/23/89/36/386238936.db2.gz SOQDOPXYXLMZJR-UHFFFAOYSA-N 1 2 231.259 1.010 20 0 BDADLO Cc1cc(N2C[C@H](C)OC3(CCC3)C2)nc[nH+]1 ZINC000645394044 386240785 /nfs/dbraw/zinc/24/07/85/386240785.db2.gz NWZGTESRMWUATR-NSHDSACASA-N 1 2 233.315 1.933 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)/C=C/C1CC1)C2 ZINC000365630198 386240753 /nfs/dbraw/zinc/24/07/53/386240753.db2.gz KZQVYJQDGQAXJH-RPTYSRGTSA-N 1 2 245.326 1.589 20 0 BDADLO CO[C@H](C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275833133 386243556 /nfs/dbraw/zinc/24/35/56/386243556.db2.gz MJAVPFRZFMQRLD-PWSUYJOCSA-N 1 2 246.314 1.519 20 0 BDADLO CC[C@@H](NC(=O)CC1CC1)c1[nH]cc[nH+]1 ZINC000125331560 386245966 /nfs/dbraw/zinc/24/59/66/386245966.db2.gz NDFYJVQYMZZXKH-SECBINFHSA-N 1 2 207.277 1.777 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCCc2occc2C1 ZINC000288974834 386246842 /nfs/dbraw/zinc/24/68/42/386246842.db2.gz YXVYXECVQLRPKG-SNVBAGLBSA-N 1 2 237.299 1.979 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCCc2occc2C1 ZINC000288974834 386246847 /nfs/dbraw/zinc/24/68/47/386246847.db2.gz YXVYXECVQLRPKG-SNVBAGLBSA-N 1 2 237.299 1.979 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccon1 ZINC000336742818 386250815 /nfs/dbraw/zinc/25/08/15/386250815.db2.gz OOEFUYUQKNMXSV-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccon1)c1cnn(C)c1 ZINC000336742819 386250895 /nfs/dbraw/zinc/25/08/95/386250895.db2.gz OOEFUYUQKNMXSV-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCOC2)nc1 ZINC000336646675 386255459 /nfs/dbraw/zinc/25/54/59/386255459.db2.gz LBEOYJKQKZFTSV-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCOC2)nc1 ZINC000336646675 386255467 /nfs/dbraw/zinc/25/54/67/386255467.db2.gz LBEOYJKQKZFTSV-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nc(C[N@H+](CCO)C2CC2)c(C)s1 ZINC000336647652 386256927 /nfs/dbraw/zinc/25/69/27/386256927.db2.gz MSTZFQMJCPBIIG-UHFFFAOYSA-N 1 2 226.345 1.717 20 0 BDADLO Cc1nc(C[N@@H+](CCO)C2CC2)c(C)s1 ZINC000336647652 386256931 /nfs/dbraw/zinc/25/69/31/386256931.db2.gz MSTZFQMJCPBIIG-UHFFFAOYSA-N 1 2 226.345 1.717 20 0 BDADLO Nc1nccnc1SCCCn1cc[nH+]c1 ZINC000236353096 386257820 /nfs/dbraw/zinc/25/78/20/386257820.db2.gz VFNXNYHVWAGMDQ-UHFFFAOYSA-N 1 2 235.316 1.438 20 0 BDADLO CSc1cncc(NCCCn2cc[nH+]c2)n1 ZINC000131096412 386192522 /nfs/dbraw/zinc/19/25/22/386192522.db2.gz XAGVNIDBAUZKPQ-UHFFFAOYSA-N 1 2 249.343 1.897 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)NCC2(C)C)cs1 ZINC000296702348 386193981 /nfs/dbraw/zinc/19/39/81/386193981.db2.gz IFYBGHMNBQFBFS-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)NCC2(C)C)cs1 ZINC000296702348 386193989 /nfs/dbraw/zinc/19/39/89/386193989.db2.gz IFYBGHMNBQFBFS-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000338995770 386198264 /nfs/dbraw/zinc/19/82/64/386198264.db2.gz CMZQKPZKNZJMHW-GFCCVEGCSA-N 1 2 243.278 1.332 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000338995770 386198267 /nfs/dbraw/zinc/19/82/67/386198267.db2.gz CMZQKPZKNZJMHW-GFCCVEGCSA-N 1 2 243.278 1.332 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)nc1 ZINC000339002156 386200154 /nfs/dbraw/zinc/20/01/54/386200154.db2.gz XPOPIPGPUYNOSC-CYBMUJFWSA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)nc1 ZINC000339002156 386200161 /nfs/dbraw/zinc/20/01/61/386200161.db2.gz XPOPIPGPUYNOSC-CYBMUJFWSA-N 1 2 247.342 1.307 20 0 BDADLO COc1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000340584872 386283404 /nfs/dbraw/zinc/28/34/04/386283404.db2.gz YABWSIPJMSCFRX-UHFFFAOYSA-N 1 2 244.294 1.617 20 0 BDADLO CCN(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000264913372 386283789 /nfs/dbraw/zinc/28/37/89/386283789.db2.gz ZPFBIRQKDMNAIJ-UHFFFAOYSA-N 1 2 246.314 1.804 20 0 BDADLO CCC(=O)N1CC[N@H+](CCOCC2CCC2)C1 ZINC000425516643 386291394 /nfs/dbraw/zinc/29/13/94/386291394.db2.gz VNUCSZVVBAOHQL-UHFFFAOYSA-N 1 2 240.347 1.315 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCOCC2CCC2)C1 ZINC000425516643 386291396 /nfs/dbraw/zinc/29/13/96/386291396.db2.gz VNUCSZVVBAOHQL-UHFFFAOYSA-N 1 2 240.347 1.315 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000414399444 386296853 /nfs/dbraw/zinc/29/68/53/386296853.db2.gz SRHNMFWUZOTGHO-RDGWCUKFSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000414399444 386296857 /nfs/dbraw/zinc/29/68/57/386296857.db2.gz SRHNMFWUZOTGHO-RDGWCUKFSA-N 1 2 241.356 1.929 20 0 BDADLO C[N@H+](Cc1cccs1)[C@H]1CCOC1=O ZINC000298101760 386298378 /nfs/dbraw/zinc/29/83/78/386298378.db2.gz ZFEWGQXZIOWVAO-VIFPVBQESA-N 1 2 211.286 1.495 20 0 BDADLO C[N@@H+](Cc1cccs1)[C@H]1CCOC1=O ZINC000298101760 386298381 /nfs/dbraw/zinc/29/83/81/386298381.db2.gz ZFEWGQXZIOWVAO-VIFPVBQESA-N 1 2 211.286 1.495 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000414402130 386302415 /nfs/dbraw/zinc/30/24/15/386302415.db2.gz ZOYBMIJEJPKLBY-TXEJJXNPSA-N 1 2 233.315 1.402 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000414402130 386302418 /nfs/dbraw/zinc/30/24/18/386302418.db2.gz ZOYBMIJEJPKLBY-TXEJJXNPSA-N 1 2 233.315 1.402 20 0 BDADLO FC(F)CNCc1cccc2[nH+]ccn21 ZINC000298171820 386307226 /nfs/dbraw/zinc/30/72/26/386307226.db2.gz UKPIAIBAGYQBEB-UHFFFAOYSA-N 1 2 211.215 1.689 20 0 BDADLO CCc1cc(N)nc(SC[C@H](O)C(C)C)[nH+]1 ZINC000298197366 386308936 /nfs/dbraw/zinc/30/89/36/386308936.db2.gz HYPURJWMXPWLMT-VIFPVBQESA-N 1 2 241.360 1.730 20 0 BDADLO c1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)on1 ZINC000334482226 386310936 /nfs/dbraw/zinc/31/09/36/386310936.db2.gz XPMWZFZYUDXPGW-SNVBAGLBSA-N 1 2 218.260 1.735 20 0 BDADLO C[C@@H](O)CNc1cc(NCC(C)(C)C)[nH+]cn1 ZINC000298287201 386320238 /nfs/dbraw/zinc/32/02/38/386320238.db2.gz PZEJAEDZKOZJAA-SECBINFHSA-N 1 2 238.335 1.727 20 0 BDADLO C[C@@H](O)CNc1cc(NCC(C)(C)C)nc[nH+]1 ZINC000298287201 386320240 /nfs/dbraw/zinc/32/02/40/386320240.db2.gz PZEJAEDZKOZJAA-SECBINFHSA-N 1 2 238.335 1.727 20 0 BDADLO CCN(C(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC000289530938 386321983 /nfs/dbraw/zinc/32/19/83/386321983.db2.gz LWULVSPTDUNKKY-UHFFFAOYSA-N 1 2 236.319 1.549 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC000334484323 386323573 /nfs/dbraw/zinc/32/35/73/386323573.db2.gz ZQKVUHFFVMXWNE-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC000334484323 386323578 /nfs/dbraw/zinc/32/35/78/386323578.db2.gz ZQKVUHFFVMXWNE-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1[nH]c(C(=O)NC(C2CC2)C2CC2)c[nH+]1 ZINC000264702323 386263150 /nfs/dbraw/zinc/26/31/50/386263150.db2.gz CDBZSYKQNIBGIG-UHFFFAOYSA-N 1 2 219.288 1.637 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccnc1 ZINC000264702207 386264673 /nfs/dbraw/zinc/26/46/73/386264673.db2.gz BZQUIYNNEWAZTF-LLVKDONJSA-N 1 2 244.298 1.026 20 0 BDADLO CCN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000339247530 386323774 /nfs/dbraw/zinc/32/37/74/386323774.db2.gz SXLZLZLIOMWFDK-UHFFFAOYSA-N 1 2 234.290 1.442 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000264731222 386267232 /nfs/dbraw/zinc/26/72/32/386267232.db2.gz PNDYXTMCKIPWHT-NXEZZACHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000264731222 386267234 /nfs/dbraw/zinc/26/72/34/386267234.db2.gz PNDYXTMCKIPWHT-NXEZZACHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000289229746 386274294 /nfs/dbraw/zinc/27/42/94/386274294.db2.gz YJOIKPBOWBTVOR-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000289229746 386274296 /nfs/dbraw/zinc/27/42/96/386274296.db2.gz YJOIKPBOWBTVOR-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H](CO)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000297775011 386278379 /nfs/dbraw/zinc/27/83/79/386278379.db2.gz NGOLLXOIOUKBQD-NSHDSACASA-N 1 2 237.303 1.625 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000416319621 386278589 /nfs/dbraw/zinc/27/85/89/386278589.db2.gz IBXKCAKHODZYQQ-OUAUKWLOSA-N 1 2 235.331 1.845 20 0 BDADLO COC1(c2nc(Cc3ccc(C)[nH+]c3)no2)CC1 ZINC000351344923 386340412 /nfs/dbraw/zinc/34/04/12/386340412.db2.gz NGQIQOFUOGFUHC-UHFFFAOYSA-N 1 2 245.282 1.999 20 0 BDADLO CCN(CC(C)C)C(=O)CCc1c[nH+]cn1C ZINC000276534762 386341469 /nfs/dbraw/zinc/34/14/69/386341469.db2.gz FIBCVBSXOVBYIY-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO CCc1cc(N)nc(SC[C@@H](O)CC)[nH+]1 ZINC000298436811 386343409 /nfs/dbraw/zinc/34/34/09/386343409.db2.gz XHEJPXIEXJXDMP-QMMMGPOBSA-N 1 2 227.333 1.484 20 0 BDADLO C[N@H+](CCOCC(F)(F)F)Cc1ccon1 ZINC000336685825 386344760 /nfs/dbraw/zinc/34/47/60/386344760.db2.gz VTUNHBCXHCEVPS-UHFFFAOYSA-N 1 2 238.209 1.685 20 0 BDADLO C[N@@H+](CCOCC(F)(F)F)Cc1ccon1 ZINC000336685825 386344768 /nfs/dbraw/zinc/34/47/68/386344768.db2.gz VTUNHBCXHCEVPS-UHFFFAOYSA-N 1 2 238.209 1.685 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(CCF)CC1 ZINC000289708739 386344784 /nfs/dbraw/zinc/34/47/84/386344784.db2.gz YJJGKCPEUPVWGU-SNVBAGLBSA-N 1 2 239.294 1.528 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCO ZINC000265502662 386345251 /nfs/dbraw/zinc/34/52/51/386345251.db2.gz NFSBYMMKPKECRR-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCO ZINC000265502662 386345252 /nfs/dbraw/zinc/34/52/52/386345252.db2.gz NFSBYMMKPKECRR-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H](O)Cc1ccccc1 ZINC000336688566 386350695 /nfs/dbraw/zinc/35/06/95/386350695.db2.gz YMVFIYZSIRZBDN-NSHDSACASA-N 1 2 229.270 1.787 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H](O)Cc1ccccc1 ZINC000336688566 386350699 /nfs/dbraw/zinc/35/06/99/386350699.db2.gz YMVFIYZSIRZBDN-NSHDSACASA-N 1 2 229.270 1.787 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343212716 386353709 /nfs/dbraw/zinc/35/37/09/386353709.db2.gz RPGGXJTZQHQQAD-QJPTWQEYSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276648922 386359443 /nfs/dbraw/zinc/35/94/43/386359443.db2.gz WIDHISJIKRPZQA-ZJUUUORDSA-N 1 2 221.304 1.125 20 0 BDADLO Cn1ncc(C[N@H+](C)Cc2cccs2)n1 ZINC000289912552 386370452 /nfs/dbraw/zinc/37/04/52/386370452.db2.gz OABOOYMTBYOJQJ-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1ncc(C[N@@H+](C)Cc2cccs2)n1 ZINC000289912552 386370457 /nfs/dbraw/zinc/37/04/57/386370457.db2.gz OABOOYMTBYOJQJ-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)CCO ZINC000298711692 386372986 /nfs/dbraw/zinc/37/29/86/386372986.db2.gz GRHGKTOCGQHXEX-UHFFFAOYSA-N 1 2 246.310 1.583 20 0 BDADLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)CCO ZINC000298711692 386372989 /nfs/dbraw/zinc/37/29/89/386372989.db2.gz GRHGKTOCGQHXEX-UHFFFAOYSA-N 1 2 246.310 1.583 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](COC)C2)no1 ZINC000336695166 386373591 /nfs/dbraw/zinc/37/35/91/386373591.db2.gz JHJHMTJALDYOKQ-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](COC)C2)no1 ZINC000336695166 386373595 /nfs/dbraw/zinc/37/35/95/386373595.db2.gz JHJHMTJALDYOKQ-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1cccnc1 ZINC000276776491 386374020 /nfs/dbraw/zinc/37/40/20/386374020.db2.gz IVOHDQVCTFPNBJ-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1cccnc1 ZINC000276776491 386374027 /nfs/dbraw/zinc/37/40/27/386374027.db2.gz IVOHDQVCTFPNBJ-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347384345 386376714 /nfs/dbraw/zinc/37/67/14/386376714.db2.gz OSNYQBJAJFCKFG-JQWIXIFHSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347384345 386376718 /nfs/dbraw/zinc/37/67/18/386376718.db2.gz OSNYQBJAJFCKFG-JQWIXIFHSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265854112 386377956 /nfs/dbraw/zinc/37/79/56/386377956.db2.gz VHMGLFXBCNNCDU-GHMZBOCLSA-N 1 2 223.320 1.682 20 0 BDADLO CN(C)c1ncc(CNc2cc[nH+]cc2F)cn1 ZINC000276830549 386379813 /nfs/dbraw/zinc/37/98/13/386379813.db2.gz HLBYPGNOGIXFMG-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)c(C)s1 ZINC000265855182 386379718 /nfs/dbraw/zinc/37/97/18/386379718.db2.gz QPRLCVLRSDGBPF-UHFFFAOYSA-N 1 2 238.356 1.639 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)c(C)s1 ZINC000265855182 386379724 /nfs/dbraw/zinc/37/97/24/386379724.db2.gz QPRLCVLRSDGBPF-UHFFFAOYSA-N 1 2 238.356 1.639 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccs2)nn1 ZINC000336699468 386383903 /nfs/dbraw/zinc/38/39/03/386383903.db2.gz VVZBRKQOSBQBKW-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccs2)nn1 ZINC000336699468 386383907 /nfs/dbraw/zinc/38/39/07/386383907.db2.gz VVZBRKQOSBQBKW-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2C(C)C)c[nH+]1 ZINC000334496836 386385625 /nfs/dbraw/zinc/38/56/25/386385625.db2.gz BEESWHBKXWSIHA-DTWKUNHWSA-N 1 2 207.277 1.492 20 0 BDADLO C[N@H+](CCO)Cc1cc(C(C)(C)C)on1 ZINC000289549078 386326494 /nfs/dbraw/zinc/32/64/94/386326494.db2.gz DEWATMRTSYLOTF-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO C[N@@H+](CCO)Cc1cc(C(C)(C)C)on1 ZINC000289549078 386326497 /nfs/dbraw/zinc/32/64/97/386326497.db2.gz DEWATMRTSYLOTF-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000336773947 386330025 /nfs/dbraw/zinc/33/00/25/386330025.db2.gz WNJLMXGLAIYBFQ-FBIMIBRVSA-N 1 2 227.304 1.095 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000336684201 386331688 /nfs/dbraw/zinc/33/16/88/386331688.db2.gz DVKJYANQQRQRCO-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000336684201 386331693 /nfs/dbraw/zinc/33/16/93/386331693.db2.gz DVKJYANQQRQRCO-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO C[C@H](O)C[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276508274 386335701 /nfs/dbraw/zinc/33/57/01/386335701.db2.gz AUYQKXQILDKWHQ-XVHVLHHCSA-N 1 2 249.314 1.185 20 0 BDADLO COC[C@H]([NH2+]Cc1[nH]ncc1C)c1ccco1 ZINC000289654198 386337105 /nfs/dbraw/zinc/33/71/05/386337105.db2.gz YMZGXBZODPLMGN-NSHDSACASA-N 1 2 235.287 1.788 20 0 BDADLO COC[C@H]([NH2+]Cc1n[nH]cc1C)c1ccco1 ZINC000289654198 386337110 /nfs/dbraw/zinc/33/71/10/386337110.db2.gz YMZGXBZODPLMGN-NSHDSACASA-N 1 2 235.287 1.788 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]1C ZINC000519422589 386440804 /nfs/dbraw/zinc/44/08/04/386440804.db2.gz ZJRHZHDZNKPISD-IVZWLZJFSA-N 1 2 221.304 1.361 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]1C ZINC000519422589 386440813 /nfs/dbraw/zinc/44/08/13/386440813.db2.gz ZJRHZHDZNKPISD-IVZWLZJFSA-N 1 2 221.304 1.361 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000290495440 386443986 /nfs/dbraw/zinc/44/39/86/386443986.db2.gz IKJLJSAGUPUTSA-HTQZYQBOSA-N 1 2 235.291 1.199 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCCC1(C)CC1 ZINC000519425065 386444309 /nfs/dbraw/zinc/44/43/09/386444309.db2.gz HFGCRAMASJHXJU-UHFFFAOYSA-N 1 2 246.318 1.378 20 0 BDADLO CCc1ncc(CN[C@@H]2CCC[N@H+](C)[C@H]2C)cn1 ZINC000414435278 386444918 /nfs/dbraw/zinc/44/49/18/386444918.db2.gz QUEZMYMFWIVGLK-WCQYABFASA-N 1 2 248.374 1.611 20 0 BDADLO CCc1ncc(CN[C@@H]2CCC[N@@H+](C)[C@H]2C)cn1 ZINC000414435278 386444922 /nfs/dbraw/zinc/44/49/22/386444922.db2.gz QUEZMYMFWIVGLK-WCQYABFASA-N 1 2 248.374 1.611 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000347542946 386446326 /nfs/dbraw/zinc/44/63/26/386446326.db2.gz XDJWTZRCNXIQSY-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000347542946 386446334 /nfs/dbraw/zinc/44/63/34/386446334.db2.gz XDJWTZRCNXIQSY-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000414424151 386388979 /nfs/dbraw/zinc/38/89/79/386388979.db2.gz BUNXAVKYCDVBAN-CYBMUJFWSA-N 1 2 249.358 1.896 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000414424151 386388984 /nfs/dbraw/zinc/38/89/84/386388984.db2.gz BUNXAVKYCDVBAN-CYBMUJFWSA-N 1 2 249.358 1.896 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000336705284 386395757 /nfs/dbraw/zinc/39/57/57/386395757.db2.gz PZVJKKLZIQMXSG-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)n(C)n1 ZINC000336705284 386395759 /nfs/dbraw/zinc/39/57/59/386395759.db2.gz PZVJKKLZIQMXSG-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(C)(F)F ZINC000277036286 386400771 /nfs/dbraw/zinc/40/07/71/386400771.db2.gz GCIKMHWFUBDREW-QMMMGPOBSA-N 1 2 231.246 1.433 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOC(F)(F)F ZINC000336732637 386401218 /nfs/dbraw/zinc/40/12/18/386401218.db2.gz LQYJLAYLWGZSND-UHFFFAOYSA-N 1 2 223.198 1.344 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336701033 386401924 /nfs/dbraw/zinc/40/19/24/386401924.db2.gz HDAYYYCTVOSLAT-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000336701033 386401926 /nfs/dbraw/zinc/40/19/26/386401926.db2.gz HDAYYYCTVOSLAT-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CC[C@H](COC)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453318402 386405591 /nfs/dbraw/zinc/40/55/91/386405591.db2.gz LQMUEIGHVLRQDC-NEPJUHHUSA-N 1 2 245.363 1.977 20 0 BDADLO CC(C)OCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347506641 386424397 /nfs/dbraw/zinc/42/43/97/386424397.db2.gz WZPWDSMJYHURMM-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000339433924 386425923 /nfs/dbraw/zinc/42/59/23/386425923.db2.gz SSYGRODMXVBKPH-MNOVXSKESA-N 1 2 233.315 1.425 20 0 BDADLO c1nc(N2CCCC2)cc(NC[C@@H]2CCOC2)[nH+]1 ZINC000277319666 386427759 /nfs/dbraw/zinc/42/77/59/386427759.db2.gz DJCRILIEXYINSO-NSHDSACASA-N 1 2 248.330 1.525 20 0 BDADLO c1nc(NC[C@@H]2CCOC2)cc(N2CCCC2)[nH+]1 ZINC000277319666 386427764 /nfs/dbraw/zinc/42/77/64/386427764.db2.gz DJCRILIEXYINSO-NSHDSACASA-N 1 2 248.330 1.525 20 0 BDADLO Cc1nc(N[C@H](C)c2ccccc2)nc(N)[nH+]1 ZINC000202279811 386452315 /nfs/dbraw/zinc/45/23/15/386452315.db2.gz YNOMLXYCIHJJQD-MRVPVSSYSA-N 1 2 229.287 1.935 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)c2ccccc2)[nH+]1 ZINC000202279811 386452320 /nfs/dbraw/zinc/45/23/20/386452320.db2.gz YNOMLXYCIHJJQD-MRVPVSSYSA-N 1 2 229.287 1.935 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)C[C@H]1CCCO1 ZINC000336718883 386435476 /nfs/dbraw/zinc/43/54/76/386435476.db2.gz XLKVFJOAWPWWPL-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)C[C@H]1CCCO1 ZINC000336718883 386435480 /nfs/dbraw/zinc/43/54/80/386435480.db2.gz XLKVFJOAWPWWPL-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO CCOCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277462833 386435677 /nfs/dbraw/zinc/43/56/77/386435677.db2.gz OHNFPVDELAGCGE-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO CCOCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277462833 386435682 /nfs/dbraw/zinc/43/56/82/386435682.db2.gz OHNFPVDELAGCGE-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000290449761 386436424 /nfs/dbraw/zinc/43/64/24/386436424.db2.gz ONQJDHWGVXFLBM-ZJUUUORDSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000290449761 386436433 /nfs/dbraw/zinc/43/64/33/386436433.db2.gz ONQJDHWGVXFLBM-ZJUUUORDSA-N 1 2 209.293 1.327 20 0 BDADLO CCN(CC(=O)OC)Cc1[nH+]ccn1C(C)C ZINC000299610315 386473383 /nfs/dbraw/zinc/47/33/83/386473383.db2.gz OCGQBXCPOMZPCN-UHFFFAOYSA-N 1 2 239.319 1.459 20 0 BDADLO CC(C)n1ccnc1C[NH+]1CCC(O)CC1 ZINC000299640412 386474616 /nfs/dbraw/zinc/47/46/16/386474616.db2.gz VQUDIHMGHXSFNH-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO Cc1noc(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000299626473 386475103 /nfs/dbraw/zinc/47/51/03/386475103.db2.gz FRBQPXYEDYMEFR-UHFFFAOYSA-N 1 2 234.259 1.517 20 0 BDADLO CN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC000299666733 386479301 /nfs/dbraw/zinc/47/93/01/386479301.db2.gz OHXZAINRRPLQDY-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2scnc2C)n1 ZINC000336778854 386479347 /nfs/dbraw/zinc/47/93/47/386479347.db2.gz MNHNKCVSDYNYJB-SSDOTTSWSA-N 1 2 238.316 1.994 20 0 BDADLO O=C(CCC(F)(F)F)N1CCn2c[nH+]cc2C1 ZINC000290860014 386481268 /nfs/dbraw/zinc/48/12/68/386481268.db2.gz BMHLYVBEQQHPSC-UHFFFAOYSA-N 1 2 247.220 1.568 20 0 BDADLO CS[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266955712 386483792 /nfs/dbraw/zinc/48/37/92/386483792.db2.gz GNSKLXBOVXUSOG-SSDOTTSWSA-N 1 2 213.306 1.086 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000519539258 386485649 /nfs/dbraw/zinc/48/56/49/386485649.db2.gz GYVXIVDFNRNZOF-WCFLWFBJSA-N 1 2 247.342 1.606 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C)C2)ccn1 ZINC000339585139 386488445 /nfs/dbraw/zinc/48/84/45/386488445.db2.gz OYIQOTZTBDFMSH-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C)C2)ccn1 ZINC000339585139 386488449 /nfs/dbraw/zinc/48/84/49/386488449.db2.gz OYIQOTZTBDFMSH-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO O=C(CC[C@@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000290930002 386489270 /nfs/dbraw/zinc/48/92/70/386489270.db2.gz MEJUHPGDCHTEOA-LBPRGKRZSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000267193567 386506245 /nfs/dbraw/zinc/50/62/45/386506245.db2.gz ZERFLXXIYJWNHD-WDEREUQCSA-N 1 2 235.331 1.682 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000336783758 386507797 /nfs/dbraw/zinc/50/77/97/386507797.db2.gz DCWDDUQEEDEQOC-LBPRGKRZSA-N 1 2 243.314 1.027 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000336783758 386507805 /nfs/dbraw/zinc/50/78/05/386507805.db2.gz DCWDDUQEEDEQOC-LBPRGKRZSA-N 1 2 243.314 1.027 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC1CCC1 ZINC000267215575 386513054 /nfs/dbraw/zinc/51/30/54/386513054.db2.gz UFKAHBWEVVDGIL-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO C/C=C/C=C/C(=O)NCc1c[nH+]cn1C ZINC000291200804 386523614 /nfs/dbraw/zinc/52/36/14/386523614.db2.gz DWAIOPPUKSHGOM-VNKDHWASSA-N 1 2 205.261 1.169 20 0 BDADLO CCC1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000267291424 386524694 /nfs/dbraw/zinc/52/46/94/386524694.db2.gz ZUQJPVNZJFMRIR-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2noc(C)n2)CC1 ZINC000366474521 386527020 /nfs/dbraw/zinc/52/70/20/386527020.db2.gz WSXPTCYWMKQUSM-LBPRGKRZSA-N 1 2 239.319 1.769 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2noc(C)n2)CC1 ZINC000366474521 386527025 /nfs/dbraw/zinc/52/70/25/386527025.db2.gz WSXPTCYWMKQUSM-LBPRGKRZSA-N 1 2 239.319 1.769 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277685009 386458811 /nfs/dbraw/zinc/45/88/11/386458811.db2.gz QMLHRRNDAPQBNE-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277685009 386458818 /nfs/dbraw/zinc/45/88/18/386458818.db2.gz QMLHRRNDAPQBNE-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336726050 386461845 /nfs/dbraw/zinc/46/18/45/386461845.db2.gz VGQYQUHYIQEIEF-LLVKDONJSA-N 1 2 237.347 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336726050 386461849 /nfs/dbraw/zinc/46/18/49/386461849.db2.gz VGQYQUHYIQEIEF-LLVKDONJSA-N 1 2 237.347 1.810 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C)(C)C[C@@H](C)O)c[nH+]1 ZINC000266735867 386464562 /nfs/dbraw/zinc/46/45/62/386464562.db2.gz LLUCKOYSIAEDTI-MRVPVSSYSA-N 1 2 239.319 1.245 20 0 BDADLO CC(C)(O)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000191801204 386465553 /nfs/dbraw/zinc/46/55/53/386465553.db2.gz CDTBLKOGYXAGKW-UHFFFAOYSA-N 1 2 245.282 1.786 20 0 BDADLO CNc1nnc(SCc2c[nH+]cn2C)s1 ZINC000267715701 386574805 /nfs/dbraw/zinc/57/48/05/386574805.db2.gz AFVWJILSHVCJEF-UHFFFAOYSA-N 1 2 241.345 1.606 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](C/C=C/Cl)C1 ZINC000267723530 386574969 /nfs/dbraw/zinc/57/49/69/386574969.db2.gz ZCSSKKHWLXVMBC-LXOKAJLYSA-N 1 2 221.659 1.326 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](C/C=C/Cl)C1 ZINC000267723530 386574974 /nfs/dbraw/zinc/57/49/74/386574974.db2.gz ZCSSKKHWLXVMBC-LXOKAJLYSA-N 1 2 221.659 1.326 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000425914622 386575353 /nfs/dbraw/zinc/57/53/53/386575353.db2.gz FUAYUIDKLJRCIM-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000425914622 386575360 /nfs/dbraw/zinc/57/53/60/386575360.db2.gz FUAYUIDKLJRCIM-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO CCC[C@@H]([NH2+]CC1(C)COC1)C(=O)OCC ZINC000097988469 386576135 /nfs/dbraw/zinc/57/61/35/386576135.db2.gz BWJZJXRUBAGMGO-SNVBAGLBSA-N 1 2 229.320 1.344 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](OC)C1 ZINC000267781617 386584682 /nfs/dbraw/zinc/58/46/82/386584682.db2.gz IBLJPUWASRSWDC-STQMWFEESA-N 1 2 249.310 1.621 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](OC)C1 ZINC000267781617 386584690 /nfs/dbraw/zinc/58/46/90/386584690.db2.gz IBLJPUWASRSWDC-STQMWFEESA-N 1 2 249.310 1.621 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)no1 ZINC000335419378 386589407 /nfs/dbraw/zinc/58/94/07/386589407.db2.gz ZSPJBWSETVCPFI-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)no1 ZINC000335419378 386589415 /nfs/dbraw/zinc/58/94/15/386589415.db2.gz ZSPJBWSETVCPFI-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO O=C(c1cscn1)N1CC[NH+](C2CC2)CC1 ZINC000062662766 386590632 /nfs/dbraw/zinc/59/06/32/386590632.db2.gz GFUDAMDVXLXFDI-UHFFFAOYSA-N 1 2 237.328 1.063 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000228045245 386534592 /nfs/dbraw/zinc/53/45/92/386534592.db2.gz WQXWWFKHZXLHLP-VIFPVBQESA-N 1 2 232.283 1.819 20 0 BDADLO Cn1ncc2c1nc(N1CCC(C)(C)C1)[nH+]c2N ZINC000278497423 386536810 /nfs/dbraw/zinc/53/68/10/386536810.db2.gz WWUXCIPSAGUKRP-UHFFFAOYSA-N 1 2 246.318 1.182 20 0 BDADLO CC1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000267426626 386539699 /nfs/dbraw/zinc/53/96/99/386539699.db2.gz LYXBDMYKJJBBSN-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO O=C(Nc1nncs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278528300 386543429 /nfs/dbraw/zinc/54/34/29/386543429.db2.gz ZDYMUVZTERBUSV-MRVPVSSYSA-N 1 2 238.316 1.103 20 0 BDADLO O=C(Nc1nncs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278528300 386543434 /nfs/dbraw/zinc/54/34/34/386543434.db2.gz ZDYMUVZTERBUSV-MRVPVSSYSA-N 1 2 238.316 1.103 20 0 BDADLO CC(C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000193321953 386545990 /nfs/dbraw/zinc/54/59/90/386545990.db2.gz MHVNRUZEMIHYKG-SNVBAGLBSA-N 1 2 223.320 1.751 20 0 BDADLO CC(C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000193321953 386545998 /nfs/dbraw/zinc/54/59/98/386545998.db2.gz MHVNRUZEMIHYKG-SNVBAGLBSA-N 1 2 223.320 1.751 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000291516372 386555267 /nfs/dbraw/zinc/55/52/67/386555267.db2.gz ISNSFZVAPPBMBF-LLVKDONJSA-N 1 2 227.283 1.015 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000291516372 386555269 /nfs/dbraw/zinc/55/52/69/386555269.db2.gz ISNSFZVAPPBMBF-LLVKDONJSA-N 1 2 227.283 1.015 20 0 BDADLO Cc1c(C[NH2+][C@H](C)c2ccon2)cnn1C ZINC000336780616 386556613 /nfs/dbraw/zinc/55/66/13/386556613.db2.gz RVJDXHQMWRCXDK-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000519806686 386557239 /nfs/dbraw/zinc/55/72/39/386557239.db2.gz YLOYMGTTYYAVJZ-WDEREUQCSA-N 1 2 221.304 1.123 20 0 BDADLO c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)[nH+]c1 ZINC000335403100 386557775 /nfs/dbraw/zinc/55/77/75/386557775.db2.gz MDKONDDSIQURIN-MNOVXSKESA-N 1 2 204.273 1.697 20 0 BDADLO Cc1csc(NC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC000278652181 386559906 /nfs/dbraw/zinc/55/99/06/386559906.db2.gz OUNNSBZILXCXAE-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335408567 386569694 /nfs/dbraw/zinc/56/96/94/386569694.db2.gz NJPSKBJWMURTEC-WPRPVWTQSA-N 1 2 230.333 1.118 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335408567 386569697 /nfs/dbraw/zinc/56/96/97/386569697.db2.gz NJPSKBJWMURTEC-WPRPVWTQSA-N 1 2 230.333 1.118 20 0 BDADLO CCC[C@@H]([NH2+]CCOCC)C(=O)OCC ZINC000097988223 386572006 /nfs/dbraw/zinc/57/20/06/386572006.db2.gz DPPKQJIEWDWSPS-SNVBAGLBSA-N 1 2 217.309 1.344 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000335495853 386619379 /nfs/dbraw/zinc/61/93/79/386619379.db2.gz OLXWKYXGUZIIHU-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000335495853 386619384 /nfs/dbraw/zinc/61/93/84/386619384.db2.gz OLXWKYXGUZIIHU-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1ccc(C[N@@H+]2Cc3cccnc3C2)cc1=O ZINC000644933831 386623078 /nfs/dbraw/zinc/62/30/78/386623078.db2.gz NVYAWJGIXKDTMV-UHFFFAOYSA-N 1 2 241.294 1.296 20 0 BDADLO Cn1ccc(C[N@H+]2Cc3cccnc3C2)cc1=O ZINC000644933831 386623082 /nfs/dbraw/zinc/62/30/82/386623082.db2.gz NVYAWJGIXKDTMV-UHFFFAOYSA-N 1 2 241.294 1.296 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cncc(F)c1 ZINC000268236366 386632541 /nfs/dbraw/zinc/63/25/41/386632541.db2.gz CGJPQJGWJDFNPU-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO CCCn1ncnc1CN(C)Cc1[nH+]ccn1C ZINC000279112979 386634230 /nfs/dbraw/zinc/63/42/30/386634230.db2.gz RTCYWEFMDBOYFG-UHFFFAOYSA-N 1 2 248.334 1.054 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000329230305 386637310 /nfs/dbraw/zinc/63/73/10/386637310.db2.gz JYDZCGDMKWWFDH-JTQLQIEISA-N 1 2 231.303 1.310 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414469338 386641481 /nfs/dbraw/zinc/64/14/81/386641481.db2.gz IWFZBZIWDXXYTF-VIFPVBQESA-N 1 2 245.319 1.927 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000414469338 386641488 /nfs/dbraw/zinc/64/14/88/386641488.db2.gz IWFZBZIWDXXYTF-VIFPVBQESA-N 1 2 245.319 1.927 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C ZINC000279171081 386641907 /nfs/dbraw/zinc/64/19/07/386641907.db2.gz HCABARDXAYLTBG-VIFPVBQESA-N 1 2 221.304 1.662 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCCCO1 ZINC000329314109 386649349 /nfs/dbraw/zinc/64/93/49/386649349.db2.gz GXLSVZFWFWIFHH-UHFFFAOYSA-N 1 2 223.276 1.286 20 0 BDADLO FCCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340392712 386653771 /nfs/dbraw/zinc/65/37/71/386653771.db2.gz ZIKBEYPAUXLDJN-NSHDSACASA-N 1 2 249.293 1.628 20 0 BDADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(N)=O)s1 ZINC000106876463 386654208 /nfs/dbraw/zinc/65/42/08/386654208.db2.gz YKBCSUPRAKUZGY-SSDOTTSWSA-N 1 2 227.333 1.238 20 0 BDADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(N)=O)s1 ZINC000106876463 386654214 /nfs/dbraw/zinc/65/42/14/386654214.db2.gz YKBCSUPRAKUZGY-SSDOTTSWSA-N 1 2 227.333 1.238 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267933201 386600964 /nfs/dbraw/zinc/60/09/64/386600964.db2.gz FQODFRGSUPQMHD-MWLCHTKSSA-N 1 2 248.330 1.707 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)ccn1 ZINC000278914778 386606223 /nfs/dbraw/zinc/60/62/23/386606223.db2.gz HDMMFZPOZKTUSG-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO COCCc1noc(C[N@@H+]2CCC23CCC3)n1 ZINC000328600197 386606206 /nfs/dbraw/zinc/60/62/06/386606206.db2.gz CUCXSSVOCAINJQ-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO COCCc1noc(C[N@H+]2CCC23CCC3)n1 ZINC000328600197 386606210 /nfs/dbraw/zinc/60/62/10/386606210.db2.gz CUCXSSVOCAINJQ-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO O=C(NC[C@H]1CC12CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335490974 386609365 /nfs/dbraw/zinc/60/93/65/386609365.db2.gz HTSOKVKDDRTFPX-GHMZBOCLSA-N 1 2 245.326 1.362 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000335491973 386609522 /nfs/dbraw/zinc/60/95/22/386609522.db2.gz QQAXCQPRRWMLHB-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC3(CC3)C2)no1 ZINC000335491796 386609545 /nfs/dbraw/zinc/60/95/45/386609545.db2.gz AFUQYMGIGYSGKX-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC3(CC3)C2)no1 ZINC000335491796 386609552 /nfs/dbraw/zinc/60/95/52/386609552.db2.gz AFUQYMGIGYSGKX-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000335491970 386609668 /nfs/dbraw/zinc/60/96/68/386609668.db2.gz QQAXCQPRRWMLHB-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCCCO1 ZINC000279248177 386655381 /nfs/dbraw/zinc/65/53/81/386655381.db2.gz RIXFMKQASPUERV-JTQLQIEISA-N 1 2 237.303 1.028 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CC[C@@H]1SC)C(=O)OC ZINC000425330991 386660903 /nfs/dbraw/zinc/66/09/03/386660903.db2.gz BJTLQCVVPPHBNK-GUBZILKMSA-N 1 2 231.361 1.812 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000246856025 386682260 /nfs/dbraw/zinc/68/22/60/386682260.db2.gz LUPASMPRNAHHRX-BDAKNGLRSA-N 1 2 231.303 1.598 20 0 BDADLO CO[C@@H](C)c1noc(COc2cc[nH+]cc2)n1 ZINC000292397605 386663120 /nfs/dbraw/zinc/66/31/20/386663120.db2.gz IGEIWOQXAUMNMS-QMMMGPOBSA-N 1 2 235.243 1.751 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1nc[nH]n1 ZINC000425331822 386665391 /nfs/dbraw/zinc/66/53/91/386665391.db2.gz CPKAFHBMCYNEMX-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO CC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000335525724 386669106 /nfs/dbraw/zinc/66/91/06/386669106.db2.gz RICFBXWZURDFBN-SNVBAGLBSA-N 1 2 239.344 1.401 20 0 BDADLO CO[C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000520426514 386672944 /nfs/dbraw/zinc/67/29/44/386672944.db2.gz KWBPPRJHLLPLCF-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO CO[C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000520426514 386672946 /nfs/dbraw/zinc/67/29/46/386672946.db2.gz KWBPPRJHLLPLCF-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO CCOc1ncccc1C[NH2+]Cc1[nH]ncc1C ZINC000352832256 386677338 /nfs/dbraw/zinc/67/73/38/386677338.db2.gz DYSUCLRUSIOLSH-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO CCOc1ncccc1C[NH2+]Cc1n[nH]cc1C ZINC000352832256 386677341 /nfs/dbraw/zinc/67/73/41/386677341.db2.gz DYSUCLRUSIOLSH-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1nccn1CC(C)C ZINC000352834770 386682673 /nfs/dbraw/zinc/68/26/73/386682673.db2.gz JDHPGIZCHWDGIG-UHFFFAOYSA-N 1 2 247.346 1.860 20 0 BDADLO COC(=O)C[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000339831725 386681205 /nfs/dbraw/zinc/68/12/05/386681205.db2.gz STTBOJCFWKYMPK-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)C[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000339831725 386681214 /nfs/dbraw/zinc/68/12/14/386681214.db2.gz STTBOJCFWKYMPK-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000639260764 386709347 /nfs/dbraw/zinc/70/93/47/386709347.db2.gz FMHKULMBZYKBQF-SNVBAGLBSA-N 1 2 242.269 1.578 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000639260764 386709356 /nfs/dbraw/zinc/70/93/56/386709356.db2.gz FMHKULMBZYKBQF-SNVBAGLBSA-N 1 2 242.269 1.578 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000268877077 386710936 /nfs/dbraw/zinc/71/09/36/386710936.db2.gz WWBDAXXXZGITLT-LLVKDONJSA-N 1 2 231.303 1.608 20 0 BDADLO C[C@@H]1COCC[N@@H+]1[C@H](c1nccn1C)C1CC1 ZINC000639123301 386683555 /nfs/dbraw/zinc/68/35/55/386683555.db2.gz INNUPFWWNYZBJP-PWSUYJOCSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@@H]1COCC[N@H+]1[C@H](c1nccn1C)C1CC1 ZINC000639123301 386683557 /nfs/dbraw/zinc/68/35/57/386683557.db2.gz INNUPFWWNYZBJP-PWSUYJOCSA-N 1 2 235.331 1.592 20 0 BDADLO CC[C@@](C)(C[N@H+](CCO)CC(F)F)OC ZINC000639123083 386683748 /nfs/dbraw/zinc/68/37/48/386683748.db2.gz IWASUHYWOAARNY-JTQLQIEISA-N 1 2 225.279 1.361 20 0 BDADLO CC[C@@](C)(C[N@@H+](CCO)CC(F)F)OC ZINC000639123083 386683750 /nfs/dbraw/zinc/68/37/50/386683750.db2.gz IWASUHYWOAARNY-JTQLQIEISA-N 1 2 225.279 1.361 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000335532532 386683987 /nfs/dbraw/zinc/68/39/87/386683987.db2.gz VAMXXOXJBQFXRZ-SNVBAGLBSA-N 1 2 247.298 1.115 20 0 BDADLO C[C@@H](CNC(=O)c1ccn(C)c1)Cn1cc[nH+]c1 ZINC000268709184 386684239 /nfs/dbraw/zinc/68/42/39/386684239.db2.gz SUIREVDIESJDTQ-NSHDSACASA-N 1 2 246.314 1.288 20 0 BDADLO C[C@H](CNC(=O)c1ccn(C)c1)Cn1cc[nH+]c1 ZINC000268709182 386684625 /nfs/dbraw/zinc/68/46/25/386684625.db2.gz SUIREVDIESJDTQ-LLVKDONJSA-N 1 2 246.314 1.288 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)C(=O)OC(C)C)C(=O)OC ZINC000192853702 386686185 /nfs/dbraw/zinc/68/61/85/386686185.db2.gz VTOKRUSVFYBPHT-UWVGGRQHSA-N 1 2 245.319 1.115 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000279479263 386686455 /nfs/dbraw/zinc/68/64/55/386686455.db2.gz QNOVPFBXZJFVKC-JTQLQIEISA-N 1 2 235.331 1.908 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOCC23CCCCC3)n1 ZINC000335470235 386689096 /nfs/dbraw/zinc/68/90/96/386689096.db2.gz HZBFZELSXUSBOC-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1ccc(C[N@H+]2CCOCC23CCCCC3)n1 ZINC000335470235 386689106 /nfs/dbraw/zinc/68/91/06/386689106.db2.gz HZBFZELSXUSBOC-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO CCc1noc(C[N@H+](CC)C[C@@H](C)OC)n1 ZINC000643420657 386689928 /nfs/dbraw/zinc/68/99/28/386689928.db2.gz MXGDHMXHLSQSQY-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1noc(C[N@@H+](CC)C[C@@H](C)OC)n1 ZINC000643420657 386689932 /nfs/dbraw/zinc/68/99/32/386689932.db2.gz MXGDHMXHLSQSQY-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO C[N@H+](CCCO)Cc1csc(Cl)n1 ZINC000295129803 386693303 /nfs/dbraw/zinc/69/33/03/386693303.db2.gz CEGVPVMFDMZGDQ-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO C[N@@H+](CCCO)Cc1csc(Cl)n1 ZINC000295129803 386693311 /nfs/dbraw/zinc/69/33/11/386693311.db2.gz CEGVPVMFDMZGDQ-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO COC[C@H]1CCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000292603252 386697269 /nfs/dbraw/zinc/69/72/69/386697269.db2.gz DVHQOJSQKQNMTP-LLVKDONJSA-N 1 2 249.314 1.951 20 0 BDADLO c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccccn1 ZINC000268831561 386701065 /nfs/dbraw/zinc/70/10/65/386701065.db2.gz KPKBIENGIYLUMJ-GFCCVEGCSA-N 1 2 228.299 1.972 20 0 BDADLO c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccccn1 ZINC000268831561 386701071 /nfs/dbraw/zinc/70/10/71/386701071.db2.gz KPKBIENGIYLUMJ-GFCCVEGCSA-N 1 2 228.299 1.972 20 0 BDADLO Cc1cc(C[N@H+](C)CCc2cnccn2)no1 ZINC000357045327 386701965 /nfs/dbraw/zinc/70/19/65/386701965.db2.gz WLQQQIZWLRKESW-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1cc(C[N@@H+](C)CCc2cnccn2)no1 ZINC000357045327 386701971 /nfs/dbraw/zinc/70/19/71/386701971.db2.gz WLQQQIZWLRKESW-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000353218432 386703199 /nfs/dbraw/zinc/70/31/99/386703199.db2.gz JZIBJRZVRFMGGB-JTQLQIEISA-N 1 2 240.351 1.500 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000353218432 386703206 /nfs/dbraw/zinc/70/32/06/386703206.db2.gz JZIBJRZVRFMGGB-JTQLQIEISA-N 1 2 240.351 1.500 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000643394948 386705466 /nfs/dbraw/zinc/70/54/66/386705466.db2.gz UYURQCQOLAHGLV-ONGXEEELSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000643394948 386705473 /nfs/dbraw/zinc/70/54/73/386705473.db2.gz UYURQCQOLAHGLV-ONGXEEELSA-N 1 2 247.302 1.583 20 0 BDADLO CC[C@H](O)CCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000357187228 386733263 /nfs/dbraw/zinc/73/32/63/386733263.db2.gz YFNCQYOFAQYBIC-VIFPVBQESA-N 1 2 234.303 1.791 20 0 BDADLO COC1(CC[N@@H+]2CC(F)(F)C[C@@H]2CO)CCC1 ZINC000645128738 386738717 /nfs/dbraw/zinc/73/87/17/386738717.db2.gz LOUAPCZHHHZCNK-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO COC1(CC[N@H+]2CC(F)(F)C[C@@H]2CO)CCC1 ZINC000645128738 386738722 /nfs/dbraw/zinc/73/87/22/386738722.db2.gz LOUAPCZHHHZCNK-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO Cc1nc(C)c(C(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000329629394 386739175 /nfs/dbraw/zinc/73/91/75/386739175.db2.gz UZRDIRLOGRHMCJ-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO Cc1cnccc1NC(=O)CCc1c[nH+]cn1C ZINC000279638620 386713842 /nfs/dbraw/zinc/71/38/42/386713842.db2.gz AHFVRZGFCPLUDO-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cc1ccc(CCC[N@H+]2CCN(C)C(=O)C2)cn1 ZINC000526970829 386715491 /nfs/dbraw/zinc/71/54/91/386715491.db2.gz OXXFEXVLFAQZSR-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CCN(C)C(=O)C2)cn1 ZINC000526970829 386715498 /nfs/dbraw/zinc/71/54/98/386715498.db2.gz OXXFEXVLFAQZSR-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccn1 ZINC000339866838 386723079 /nfs/dbraw/zinc/72/30/79/386723079.db2.gz NEJHSLARUQLRCK-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccn1 ZINC000339866838 386723081 /nfs/dbraw/zinc/72/30/81/386723081.db2.gz NEJHSLARUQLRCK-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000279727699 386726363 /nfs/dbraw/zinc/72/63/63/386726363.db2.gz CHBGYUMCPXHARZ-WCBMZHEXSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)o1 ZINC000185968898 386727571 /nfs/dbraw/zinc/72/75/71/386727571.db2.gz UNTGLTWFPKCPCU-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cnc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)o1 ZINC000185968898 386727586 /nfs/dbraw/zinc/72/75/86/386727586.db2.gz UNTGLTWFPKCPCU-LBPRGKRZSA-N 1 2 237.303 1.213 20 0 BDADLO CCc1nnc(C[N@H+]2CC(C)=C[C@@H](C)C2)[nH]1 ZINC000335539914 386747266 /nfs/dbraw/zinc/74/72/66/386747266.db2.gz ZLRRUMQBDNHXRG-SECBINFHSA-N 1 2 220.320 1.765 20 0 BDADLO CCc1nnc(C[N@@H+]2CC(C)=C[C@@H](C)C2)[nH]1 ZINC000335539914 386747271 /nfs/dbraw/zinc/74/72/71/386747271.db2.gz ZLRRUMQBDNHXRG-SECBINFHSA-N 1 2 220.320 1.765 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC2(CCC2)C1 ZINC000335539658 386747476 /nfs/dbraw/zinc/74/74/76/386747476.db2.gz RJTHZUZITHLZFL-UHFFFAOYSA-N 1 2 233.315 1.948 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1=CCCC1 ZINC000348524898 386750071 /nfs/dbraw/zinc/75/00/71/386750071.db2.gz KOPLUKHFHOOIIZ-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO C[C@H]([NH2+][C@H]1CCNC1=O)c1c(F)cccc1F ZINC000269242748 386766895 /nfs/dbraw/zinc/76/68/95/386766895.db2.gz CDDAPFCIHBIECT-XVKPBYJWSA-N 1 2 240.253 1.504 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@](C)(CC)C2)cn1 ZINC000191151683 386767811 /nfs/dbraw/zinc/76/78/11/386767811.db2.gz KNMCOEXIKIHKNA-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@](C)(CC)C2)cn1 ZINC000191151683 386767815 /nfs/dbraw/zinc/76/78/15/386767815.db2.gz KNMCOEXIKIHKNA-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC1)C2 ZINC000334140235 386740905 /nfs/dbraw/zinc/74/09/05/386740905.db2.gz DJKHSRLANWJYPF-VIFPVBQESA-N 1 2 247.342 1.917 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC1)CC2 ZINC000334140235 386740906 /nfs/dbraw/zinc/74/09/06/386740906.db2.gz DJKHSRLANWJYPF-VIFPVBQESA-N 1 2 247.342 1.917 20 0 BDADLO CCN(CC)C(=O)NCc1c[nH+]ccc1OC ZINC000292885749 386742598 /nfs/dbraw/zinc/74/25/98/386742598.db2.gz DDKZVZGHRQHNEV-UHFFFAOYSA-N 1 2 237.303 1.642 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cnn(C)c2)[nH]1 ZINC000293213306 386791236 /nfs/dbraw/zinc/79/12/36/386791236.db2.gz POZYVGBXAYLVGZ-VIFPVBQESA-N 1 2 248.334 1.512 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000269436701 386793222 /nfs/dbraw/zinc/79/32/22/386793222.db2.gz RIUZHYZCXCNHCJ-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cnccc1C ZINC000269436701 386793233 /nfs/dbraw/zinc/79/32/33/386793233.db2.gz RIUZHYZCXCNHCJ-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000340869878 386793503 /nfs/dbraw/zinc/79/35/03/386793503.db2.gz BFPDUVRZLSUUME-CYBMUJFWSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000340869878 386793510 /nfs/dbraw/zinc/79/35/10/386793510.db2.gz BFPDUVRZLSUUME-CYBMUJFWSA-N 1 2 242.363 1.404 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000125335507 386796260 /nfs/dbraw/zinc/79/62/60/386796260.db2.gz VKHGQMCEWHPIBE-IUCAKERBSA-N 1 2 239.344 1.873 20 0 BDADLO CCSCC[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000336761617 386775825 /nfs/dbraw/zinc/77/58/25/386775825.db2.gz MVAYCLGQEOYQPJ-NXEZZACHSA-N 1 2 233.377 1.917 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000330990240 386779108 /nfs/dbraw/zinc/77/91/08/386779108.db2.gz HBIBEDHHGZREIT-MFKMUULPSA-N 1 2 243.347 1.469 20 0 BDADLO CSC1(CNC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000280115842 386780254 /nfs/dbraw/zinc/78/02/54/386780254.db2.gz NUPZTQMHICVHRL-UHFFFAOYSA-N 1 2 239.344 1.734 20 0 BDADLO COCc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000344868661 386783237 /nfs/dbraw/zinc/78/32/37/386783237.db2.gz WYIIHUWXCOUPTN-ZJUUUORDSA-N 1 2 243.278 1.331 20 0 BDADLO COCc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)o1 ZINC000344868661 386783241 /nfs/dbraw/zinc/78/32/41/386783241.db2.gz WYIIHUWXCOUPTN-ZJUUUORDSA-N 1 2 243.278 1.331 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]ccn2C)ncn1 ZINC000293266872 386796560 /nfs/dbraw/zinc/79/65/60/386796560.db2.gz SGRGDIFPNJLYMW-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](C)O)o1 ZINC000248659004 386785130 /nfs/dbraw/zinc/78/51/30/386785130.db2.gz USEIFJSODVPUEG-JQWIXIFHSA-N 1 2 239.315 1.596 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](C)O)o1 ZINC000248659004 386785134 /nfs/dbraw/zinc/78/51/34/386785134.db2.gz USEIFJSODVPUEG-JQWIXIFHSA-N 1 2 239.315 1.596 20 0 BDADLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](C)O)o1 ZINC000248659003 386786393 /nfs/dbraw/zinc/78/63/93/386786393.db2.gz USEIFJSODVPUEG-CMPLNLGQSA-N 1 2 239.315 1.596 20 0 BDADLO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](C)O)o1 ZINC000248659003 386786401 /nfs/dbraw/zinc/78/64/01/386786401.db2.gz USEIFJSODVPUEG-CMPLNLGQSA-N 1 2 239.315 1.596 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000280532618 386822705 /nfs/dbraw/zinc/82/27/05/386822705.db2.gz RUJSMURFMAUEGU-JTQLQIEISA-N 1 2 243.738 1.276 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000280532618 386822712 /nfs/dbraw/zinc/82/27/12/386822712.db2.gz RUJSMURFMAUEGU-JTQLQIEISA-N 1 2 243.738 1.276 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCOCC2CC2)no1 ZINC000357575471 386809769 /nfs/dbraw/zinc/80/97/69/386809769.db2.gz CGQGVCDUMYGZRC-UHFFFAOYSA-N 1 2 239.319 1.629 20 0 BDADLO Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329928857 386812779 /nfs/dbraw/zinc/81/27/79/386812779.db2.gz YHDLXIRXCXZUSU-JBLDHEPKSA-N 1 2 248.330 1.556 20 0 BDADLO Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329928857 386812790 /nfs/dbraw/zinc/81/27/90/386812790.db2.gz YHDLXIRXCXZUSU-JBLDHEPKSA-N 1 2 248.330 1.556 20 0 BDADLO c1[nH]c(CN2CCO[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000280425783 386813626 /nfs/dbraw/zinc/81/36/26/386813626.db2.gz IYWJAKDIWXTTRL-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO Cc1nc(N2CC[C@H](O)CC(C)(C)C2)cc[nH+]1 ZINC000395320389 386813677 /nfs/dbraw/zinc/81/36/77/386813677.db2.gz LSKKIGHQDANJNI-NSHDSACASA-N 1 2 235.331 1.772 20 0 BDADLO Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329928858 386814185 /nfs/dbraw/zinc/81/41/85/386814185.db2.gz YHDLXIRXCXZUSU-NHCYSSNCSA-N 1 2 248.330 1.556 20 0 BDADLO Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329928858 386814189 /nfs/dbraw/zinc/81/41/89/386814189.db2.gz YHDLXIRXCXZUSU-NHCYSSNCSA-N 1 2 248.330 1.556 20 0 BDADLO c1c(CNc2cnccn2)[nH+]c2ccccn12 ZINC000339947634 386826258 /nfs/dbraw/zinc/82/62/58/386826258.db2.gz MSRAULFCKPVGDV-UHFFFAOYSA-N 1 2 225.255 1.158 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000293488202 386826418 /nfs/dbraw/zinc/82/64/18/386826418.db2.gz AIQNGBSQZYFWNY-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000293488202 386826425 /nfs/dbraw/zinc/82/64/25/386826425.db2.gz AIQNGBSQZYFWNY-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO c1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H]3C[C@@H]31)CO2 ZINC000366553954 386835349 /nfs/dbraw/zinc/83/53/49/386835349.db2.gz AAAMWMCPSJUUCL-DZGCQCFKSA-N 1 2 243.306 1.936 20 0 BDADLO c1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H]3C[C@@H]31)CO2 ZINC000366553954 386835355 /nfs/dbraw/zinc/83/53/55/386835355.db2.gz AAAMWMCPSJUUCL-DZGCQCFKSA-N 1 2 243.306 1.936 20 0 BDADLO C[C@H]1C[N@H+](CC2=CCCCC2)CC[S@@]1=O ZINC000334790106 386853927 /nfs/dbraw/zinc/85/39/27/386853927.db2.gz LDXUBSSEBSQQNB-NHYWBVRUSA-N 1 2 227.373 1.940 20 0 BDADLO C[C@H]1C[N@@H+](CC2=CCCCC2)CC[S@@]1=O ZINC000334790106 386853929 /nfs/dbraw/zinc/85/39/29/386853929.db2.gz LDXUBSSEBSQQNB-NHYWBVRUSA-N 1 2 227.373 1.940 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1ccncc1F ZINC000334785403 386845351 /nfs/dbraw/zinc/84/53/51/386845351.db2.gz ILEZCIGRKOFAOU-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1ccncc1F ZINC000334785403 386845357 /nfs/dbraw/zinc/84/53/57/386845357.db2.gz ILEZCIGRKOFAOU-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO CCOC(=O)[C@H](C)[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000398596265 386848446 /nfs/dbraw/zinc/84/84/46/386848446.db2.gz BYYAKJSLQNCHLM-SRVKXCTJSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293621707 386848787 /nfs/dbraw/zinc/84/87/87/386848787.db2.gz KUSXAEZFFTYDQX-AOOOYVTPSA-N 1 2 222.336 1.243 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293621707 386848794 /nfs/dbraw/zinc/84/87/94/386848794.db2.gz KUSXAEZFFTYDQX-AOOOYVTPSA-N 1 2 222.336 1.243 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1c(Cl)cnn1C ZINC000293631384 386852347 /nfs/dbraw/zinc/85/23/47/386852347.db2.gz LNEFIDDWACRRIS-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1c(Cl)cnn1C ZINC000293631384 386852349 /nfs/dbraw/zinc/85/23/49/386852349.db2.gz LNEFIDDWACRRIS-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO C[C@H](O)CCN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301578235 386856945 /nfs/dbraw/zinc/85/69/45/386856945.db2.gz MZRVLAMTOTXJTD-JTQLQIEISA-N 1 2 237.347 1.981 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000418005976 386859971 /nfs/dbraw/zinc/85/99/71/386859971.db2.gz BIHGWPAQAVRUTQ-TUAOUCFPSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000418005976 386859975 /nfs/dbraw/zinc/85/99/75/386859975.db2.gz BIHGWPAQAVRUTQ-TUAOUCFPSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000418005976 386859978 /nfs/dbraw/zinc/85/99/78/386859978.db2.gz BIHGWPAQAVRUTQ-TUAOUCFPSA-N 1 2 237.347 1.901 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334832623 386870293 /nfs/dbraw/zinc/87/02/93/386870293.db2.gz RGSSOGTYKRXKIQ-QWRGUYRKSA-N 1 2 247.342 1.608 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cccc(C)c2)c[nH+]1 ZINC000335749487 386874331 /nfs/dbraw/zinc/87/43/31/386874331.db2.gz RQIBIOGSGLVNTB-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CO[C@](C)(C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000331642057 386876558 /nfs/dbraw/zinc/87/65/58/386876558.db2.gz JKOWNGFZCITIIJ-LBPRGKRZSA-N 1 2 237.303 1.183 20 0 BDADLO CCC[C@@H](NCc1c[nH+]cn1CC)C(=O)OC ZINC000418008572 386877271 /nfs/dbraw/zinc/87/72/71/386877271.db2.gz ONFCEOJSMHPEGK-LLVKDONJSA-N 1 2 239.319 1.334 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1cocn1 ZINC000336739243 386877540 /nfs/dbraw/zinc/87/75/40/386877540.db2.gz SGIPKTHGNUBKIE-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO C[C@@H]1OCCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335752608 386878118 /nfs/dbraw/zinc/87/81/18/386878118.db2.gz QYADHISDKKGNCA-WDEREUQCSA-N 1 2 249.314 1.040 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352885624 386879933 /nfs/dbraw/zinc/87/99/33/386879933.db2.gz OMCLKOQXCROVNB-VEABSNGSSA-N 1 2 235.368 1.966 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352885624 386879934 /nfs/dbraw/zinc/87/99/34/386879934.db2.gz OMCLKOQXCROVNB-VEABSNGSSA-N 1 2 235.368 1.966 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C)(CO)CC2)s1 ZINC000358032486 386883112 /nfs/dbraw/zinc/88/31/12/386883112.db2.gz JDNOMOCBMZJANE-UHFFFAOYSA-N 1 2 241.360 1.441 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)n(C)n1 ZINC000418009770 386885055 /nfs/dbraw/zinc/88/50/55/386885055.db2.gz FTQJOOWZROOABR-SRVKXCTJSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)n(C)n1 ZINC000418009770 386885058 /nfs/dbraw/zinc/88/50/58/386885058.db2.gz FTQJOOWZROOABR-SRVKXCTJSA-N 1 2 237.347 1.726 20 0 BDADLO CN(CCF)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000293833462 386887148 /nfs/dbraw/zinc/88/71/48/386887148.db2.gz HITOWEJGHULCTJ-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO CN(CC(C)(C)O)c1nc(N)c2ccccc2[nH+]1 ZINC000301882640 386887637 /nfs/dbraw/zinc/88/76/37/386887637.db2.gz ISORABUMMZWTFM-UHFFFAOYSA-N 1 2 246.314 1.419 20 0 BDADLO CC(C)(C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000330736612 386888868 /nfs/dbraw/zinc/88/88/68/386888868.db2.gz MHIBAFRFXZVKAW-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CN(CCO)c1[nH+]c2cccc(F)c2n1C ZINC000335768898 386913536 /nfs/dbraw/zinc/91/35/36/386913536.db2.gz LXJNWGGKYZCQRU-UHFFFAOYSA-N 1 2 223.251 1.141 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334860253 386914005 /nfs/dbraw/zinc/91/40/05/386914005.db2.gz UHPQRTBKUAPDMP-NSHDSACASA-N 1 2 213.252 1.758 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334860253 386914007 /nfs/dbraw/zinc/91/40/07/386914007.db2.gz UHPQRTBKUAPDMP-NSHDSACASA-N 1 2 213.252 1.758 20 0 BDADLO CO[C@H](C)CN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000367912136 386918254 /nfs/dbraw/zinc/91/82/54/386918254.db2.gz RVWVTPILXNOFHZ-LLVKDONJSA-N 1 2 246.314 1.738 20 0 BDADLO CCOc1cccc(COCc2[nH]cc[nH+]2)n1 ZINC000341372783 386895811 /nfs/dbraw/zinc/89/58/11/386895811.db2.gz WNVHXFBPRSXSQD-UHFFFAOYSA-N 1 2 233.271 1.920 20 0 BDADLO O=C(CCc1nccs1)NCc1[nH]cc[nH+]1 ZINC000358136988 386898426 /nfs/dbraw/zinc/89/84/26/386898426.db2.gz TZDBCTABLGFMKG-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(C)n2)C1(C)C ZINC000331770584 386899249 /nfs/dbraw/zinc/89/92/49/386899249.db2.gz LNZMGANZBMOGME-FXBDTBDDSA-N 1 2 239.319 1.842 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2noc(C)n2)C1(C)C ZINC000331770587 386899585 /nfs/dbraw/zinc/89/95/85/386899585.db2.gz LNZMGANZBMOGME-SZEHBUNVSA-N 1 2 239.319 1.842 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000366729995 386901515 /nfs/dbraw/zinc/90/15/15/386901515.db2.gz COXWMYHOJYTFQE-LBPRGKRZSA-N 1 2 229.320 1.091 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000366729995 386901521 /nfs/dbraw/zinc/90/15/21/386901521.db2.gz COXWMYHOJYTFQE-LBPRGKRZSA-N 1 2 229.320 1.091 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000335762470 386902551 /nfs/dbraw/zinc/90/25/51/386902551.db2.gz SYFCMSZZSRUZCW-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000335762470 386902553 /nfs/dbraw/zinc/90/25/53/386902553.db2.gz SYFCMSZZSRUZCW-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO C[C@@H]1[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1(F)F ZINC000335763634 386904129 /nfs/dbraw/zinc/90/41/29/386904129.db2.gz OLNAQJXTLAREDP-HTRCEHHLSA-N 1 2 229.230 1.269 20 0 BDADLO FC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000334860248 386912354 /nfs/dbraw/zinc/91/23/54/386912354.db2.gz UEUGECKEPVAYDY-GFCCVEGCSA-N 1 2 249.289 1.505 20 0 BDADLO CCOCC[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352891396 386913078 /nfs/dbraw/zinc/91/30/78/386913078.db2.gz CRCFNOKTEYXCPC-RWSFTLGLSA-N 1 2 233.377 1.254 20 0 BDADLO CCOCC[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352891396 386913080 /nfs/dbraw/zinc/91/30/80/386913080.db2.gz CRCFNOKTEYXCPC-RWSFTLGLSA-N 1 2 233.377 1.254 20 0 BDADLO CCN(C)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000368143519 386946999 /nfs/dbraw/zinc/94/69/99/386946999.db2.gz SADDFNNMYYHXKA-JTQLQIEISA-N 1 2 236.319 1.629 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCC1CCCC1 ZINC000341548621 386922477 /nfs/dbraw/zinc/92/24/77/386922477.db2.gz AUTQXBVRPMWAPE-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCC1CCCC1 ZINC000341548621 386922482 /nfs/dbraw/zinc/92/24/82/386922482.db2.gz AUTQXBVRPMWAPE-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO CC(F)(F)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367968543 386922996 /nfs/dbraw/zinc/92/29/96/386922996.db2.gz PEKXJRPCVGWENE-SSDOTTSWSA-N 1 2 229.230 1.728 20 0 BDADLO c1nc(C[NH2+][C@@H]2CCN(C3CC3)C2)co1 ZINC000336762462 386925144 /nfs/dbraw/zinc/92/51/44/386925144.db2.gz OEPXRGVKWPIZAD-SECBINFHSA-N 1 2 207.277 1.001 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000331928415 386926882 /nfs/dbraw/zinc/92/68/82/386926882.db2.gz QKMKLVFOVHSMNI-KXUCPTDWSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C(C)C)n2)no1 ZINC000518901250 386927854 /nfs/dbraw/zinc/92/78/54/386927854.db2.gz AVTIUKPYCFLRLD-UHFFFAOYSA-N 1 2 232.287 1.930 20 0 BDADLO CC(C)c1nc(N[C@@H](C)C(=O)N(C)C)cc[nH+]1 ZINC000302651454 386929903 /nfs/dbraw/zinc/92/99/03/386929903.db2.gz BSOKWYSHTYABBD-VIFPVBQESA-N 1 2 236.319 1.489 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC1(CO)CC1 ZINC000331970964 386932630 /nfs/dbraw/zinc/93/26/30/386932630.db2.gz WFAWFFUCGVAQJY-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC1(CO)CC1 ZINC000331970964 386932635 /nfs/dbraw/zinc/93/26/35/386932635.db2.gz WFAWFFUCGVAQJY-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)[C@]1(CO)CC[N@H+](CC(F)F)C1 ZINC000368068050 386936114 /nfs/dbraw/zinc/93/61/14/386936114.db2.gz DZGULIOCLKZLAH-SNVBAGLBSA-N 1 2 207.264 1.592 20 0 BDADLO CC(C)[C@]1(CO)CC[N@@H+](CC(F)F)C1 ZINC000368068050 386936116 /nfs/dbraw/zinc/93/61/16/386936116.db2.gz DZGULIOCLKZLAH-SNVBAGLBSA-N 1 2 207.264 1.592 20 0 BDADLO CC[C@@H](NC(=O)C1CC(C)(O)C1)c1[nH]cc[nH+]1 ZINC000331992457 386937121 /nfs/dbraw/zinc/93/71/21/386937121.db2.gz OXGHQKPQPBALGC-NBBOBHDQSA-N 1 2 237.303 1.138 20 0 BDADLO Cc1cncc([C@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000330985719 386939989 /nfs/dbraw/zinc/93/99/89/386939989.db2.gz LEIVUOCXLQIGRF-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CO[C@@H](C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302848532 386941764 /nfs/dbraw/zinc/94/17/64/386941764.db2.gz OUJUPZFPVQUCGL-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CO[C@@H](C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302848532 386941767 /nfs/dbraw/zinc/94/17/67/386941767.db2.gz OUJUPZFPVQUCGL-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CO[C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000330993921 386943036 /nfs/dbraw/zinc/94/30/36/386943036.db2.gz IBKMXIKLUUCEDP-IUCAKERBSA-N 1 2 225.292 1.258 20 0 BDADLO CCN(C)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000368143520 386945866 /nfs/dbraw/zinc/94/58/66/386945866.db2.gz SADDFNNMYYHXKA-SNVBAGLBSA-N 1 2 236.319 1.629 20 0 BDADLO CCC[N@@H+]1CC(=O)NC12CCC1(CC1)CC2 ZINC000334823425 386954562 /nfs/dbraw/zinc/95/45/62/386954562.db2.gz CWPYVUOWSLJJKK-UHFFFAOYSA-N 1 2 222.332 1.879 20 0 BDADLO CCC[N@H+]1CC(=O)NC12CCC1(CC1)CC2 ZINC000334823425 386954566 /nfs/dbraw/zinc/95/45/66/386954566.db2.gz CWPYVUOWSLJJKK-UHFFFAOYSA-N 1 2 222.332 1.879 20 0 BDADLO CCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341723994 386954594 /nfs/dbraw/zinc/95/45/94/386954594.db2.gz YNXJRCZCSOFQJY-NSHDSACASA-N 1 2 221.304 1.788 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCc1c[nH+]c[nH]1 ZINC000331081981 386957138 /nfs/dbraw/zinc/95/71/38/386957138.db2.gz YCMCDQUIIFSDKJ-SCZZXKLOSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCc1c[nH]c[nH+]1 ZINC000331081981 386957145 /nfs/dbraw/zinc/95/71/45/386957145.db2.gz YCMCDQUIIFSDKJ-SCZZXKLOSA-N 1 2 225.292 1.087 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1cccc(O)c1 ZINC000358490492 386964839 /nfs/dbraw/zinc/96/48/39/386964839.db2.gz MGWVFEQNSZRIRB-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000358490492 386964843 /nfs/dbraw/zinc/96/48/43/386964843.db2.gz MGWVFEQNSZRIRB-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1Cc1[nH+]ccn1CC ZINC000341814697 386966593 /nfs/dbraw/zinc/96/65/93/386966593.db2.gz VBVMFHCFXQHNQR-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)COC(F)F ZINC000352923634 386968583 /nfs/dbraw/zinc/96/85/83/386968583.db2.gz IHPQINQDNGKLIP-UHFFFAOYSA-N 1 2 230.214 1.244 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@@H](O)C(C)C)CC2 ZINC000368390490 386968779 /nfs/dbraw/zinc/96/87/79/386968779.db2.gz ANSIZEYVDPWPQE-LLVKDONJSA-N 1 2 223.320 1.024 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@@H](O)C(C)C)CC2 ZINC000368390490 386968784 /nfs/dbraw/zinc/96/87/84/386968784.db2.gz ANSIZEYVDPWPQE-LLVKDONJSA-N 1 2 223.320 1.024 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC=CCC1 ZINC000334900297 386973945 /nfs/dbraw/zinc/97/39/45/386973945.db2.gz VRCPSFMKAJYZRN-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC[C@H](C)O)n1C ZINC000304307149 386974085 /nfs/dbraw/zinc/97/40/85/386974085.db2.gz KMOMSSYHDAMGTE-JTQLQIEISA-N 1 2 240.351 1.141 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC[C@H](C)O)n1C ZINC000304307149 386974088 /nfs/dbraw/zinc/97/40/88/386974088.db2.gz KMOMSSYHDAMGTE-JTQLQIEISA-N 1 2 240.351 1.141 20 0 BDADLO CC[NH+](CC)Cc1nc([C@H]2CCCO2)no1 ZINC000332388373 386975065 /nfs/dbraw/zinc/97/50/65/386975065.db2.gz HJIUSCNZKVGQGB-SECBINFHSA-N 1 2 225.292 1.763 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000368514073 386984572 /nfs/dbraw/zinc/98/45/72/386984572.db2.gz KNAVHYULWUIJHP-JTNORFRNSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000368514073 386984576 /nfs/dbraw/zinc/98/45/76/386984576.db2.gz KNAVHYULWUIJHP-JTNORFRNSA-N 1 2 231.723 1.619 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368527457 386984788 /nfs/dbraw/zinc/98/47/88/386984788.db2.gz LHYIMSXPDTZDDZ-NWDGAFQWSA-N 1 2 241.331 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368527457 386984793 /nfs/dbraw/zinc/98/47/93/386984793.db2.gz LHYIMSXPDTZDDZ-NWDGAFQWSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H](C[NH+]1CCS(=O)CC1)c1ccccc1 ZINC000116878706 386986647 /nfs/dbraw/zinc/98/66/47/386986647.db2.gz WYUTVBOQUIWNIX-LBPRGKRZSA-N 1 2 237.368 1.854 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NCCNc2cccc[nH+]2)CO1 ZINC000331309397 387000442 /nfs/dbraw/zinc/00/04/42/387000442.db2.gz UGXIFVVWHUFULE-MNOVXSKESA-N 1 2 249.314 1.035 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1nnc(C)[nH]1 ZINC000331312670 387003062 /nfs/dbraw/zinc/00/30/62/387003062.db2.gz CEKKWKFNLCFZCJ-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1nnc(C)[nH]1 ZINC000331312670 387003068 /nfs/dbraw/zinc/00/30/68/387003068.db2.gz CEKKWKFNLCFZCJ-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccn1 ZINC000367320439 387003402 /nfs/dbraw/zinc/00/34/02/387003402.db2.gz VDMSKCWPKPUHMD-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cc(C[N@H+]2CCOC3(CCC3)C2)ccn1 ZINC000367320439 387003408 /nfs/dbraw/zinc/00/34/08/387003408.db2.gz VDMSKCWPKPUHMD-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COCc1nc(C[NH+]2C[C@H](C)[C@@H](C)C2)no1 ZINC000332700614 387004152 /nfs/dbraw/zinc/00/41/52/387004152.db2.gz NDBINDZASTWXMI-IUCAKERBSA-N 1 2 225.292 1.304 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000333351308 387030465 /nfs/dbraw/zinc/03/04/65/387030465.db2.gz FLMPIRDLUUWMHM-PEGIJTEDSA-N 1 2 248.330 1.060 20 0 BDADLO C[C@H](Cn1cncn1)Nc1c[nH+]cc(N(C)C)c1 ZINC000639363659 387044124 /nfs/dbraw/zinc/04/41/24/387044124.db2.gz RZZJILUQUXDDNO-SNVBAGLBSA-N 1 2 246.318 1.240 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2snnc2C)CCO1 ZINC000519290131 387051035 /nfs/dbraw/zinc/05/10/35/387051035.db2.gz DVBMHMYKSWWYQT-LLVKDONJSA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2snnc2C)CCO1 ZINC000519290131 387051037 /nfs/dbraw/zinc/05/10/37/387051037.db2.gz DVBMHMYKSWWYQT-LLVKDONJSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333711931 387051943 /nfs/dbraw/zinc/05/19/43/387051943.db2.gz GNPNYQCMXFOQFZ-AXFHLTTASA-N 1 2 244.294 1.366 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NC2CC2)CC1(C)C ZINC000333804301 387056688 /nfs/dbraw/zinc/05/66/88/387056688.db2.gz GUGVWLNBCLTXOO-JTQLQIEISA-N 1 2 248.330 1.675 20 0 BDADLO Cc1cc(NC[C@@]2(C)CCO[C@@H]2C2CC2)nc[nH+]1 ZINC000341965931 387010464 /nfs/dbraw/zinc/01/04/64/387010464.db2.gz VJEJCKYASKJKNB-ZIAGYGMSSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CC3)n(C)n1 ZINC000334935571 387012355 /nfs/dbraw/zinc/01/23/55/387012355.db2.gz MUPMWAGPSLAYEK-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CC3)n(C)n1 ZINC000334935571 387012360 /nfs/dbraw/zinc/01/23/60/387012360.db2.gz MUPMWAGPSLAYEK-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)C1CC1 ZINC000358846361 387022525 /nfs/dbraw/zinc/02/25/25/387022525.db2.gz HLPQKPNSEZQVDI-QWRGUYRKSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2CCCCNC2=O)on1 ZINC000369032911 387026834 /nfs/dbraw/zinc/02/68/34/387026834.db2.gz TWNUYACOLXCLPB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2CCCCNC2=O)on1 ZINC000369032911 387026836 /nfs/dbraw/zinc/02/68/36/387026836.db2.gz TWNUYACOLXCLPB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCN(C[C@H](C)O)c1cc[nH+]c(C2CC2)n1 ZINC000343259442 387072431 /nfs/dbraw/zinc/07/24/31/387072431.db2.gz ZDDMUFLXGJRBSF-VIFPVBQESA-N 1 2 221.304 1.561 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cn1 ZINC000334988343 387077342 /nfs/dbraw/zinc/07/73/42/387077342.db2.gz MOZVNYSPGKXIBK-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cn1 ZINC000334988343 387077344 /nfs/dbraw/zinc/07/73/44/387077344.db2.gz MOZVNYSPGKXIBK-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc[nH]1)CC2 ZINC000369923332 387077686 /nfs/dbraw/zinc/07/76/86/387077686.db2.gz LOBBKTOPSFUOEN-UHFFFAOYSA-N 1 2 230.271 1.176 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nn(C)cc2Cl)[C@@H]1CO ZINC000334991443 387080798 /nfs/dbraw/zinc/08/07/98/387080798.db2.gz ZXVHYOIRVWOGBI-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nn(C)cc2Cl)[C@@H]1CO ZINC000334991443 387080805 /nfs/dbraw/zinc/08/08/05/387080805.db2.gz ZXVHYOIRVWOGBI-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C[C@@H]2CC=CCC2)C1 ZINC000418071036 387082417 /nfs/dbraw/zinc/08/24/17/387082417.db2.gz IBEUJKLRWHSPRF-LLVKDONJSA-N 1 2 243.372 1.462 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000228299314 387089015 /nfs/dbraw/zinc/08/90/15/387089015.db2.gz YYKVAPCTEJUTOK-GHMZBOCLSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000228299314 387089019 /nfs/dbraw/zinc/08/90/19/387089019.db2.gz YYKVAPCTEJUTOK-GHMZBOCLSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](F)C1 ZINC000336259477 387089450 /nfs/dbraw/zinc/08/94/50/387089450.db2.gz DPVPIMMSBSHXHT-RKDXNWHRSA-N 1 2 216.300 1.333 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](F)C1 ZINC000336259477 387089455 /nfs/dbraw/zinc/08/94/55/387089455.db2.gz DPVPIMMSBSHXHT-RKDXNWHRSA-N 1 2 216.300 1.333 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC1CCCCC1 ZINC000336259542 387089492 /nfs/dbraw/zinc/08/94/92/387089492.db2.gz KSEWDZAXJZWFEV-SNVBAGLBSA-N 1 2 228.311 1.479 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC1CCCCC1 ZINC000336259542 387089495 /nfs/dbraw/zinc/08/94/95/387089495.db2.gz KSEWDZAXJZWFEV-SNVBAGLBSA-N 1 2 228.311 1.479 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000067461826 387095710 /nfs/dbraw/zinc/09/57/10/387095710.db2.gz JICGLAIQGGSPEV-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000067461826 387095717 /nfs/dbraw/zinc/09/57/17/387095717.db2.gz JICGLAIQGGSPEV-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO Cc1cc(C)c(CN2C(=O)[C@@H](C)N(C)C2=O)c[nH+]1 ZINC000335002305 387095988 /nfs/dbraw/zinc/09/59/88/387095988.db2.gz ACXXKRXBAHGYDA-SNVBAGLBSA-N 1 2 247.298 1.481 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@H]3COC[C@H]32)[nH]1 ZINC000370225338 387098669 /nfs/dbraw/zinc/09/86/69/387098669.db2.gz SQYKVWFSKGYNGZ-GXSJLCMTSA-N 1 2 207.277 1.021 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@H]3COC[C@H]32)[nH]1 ZINC000370225338 387098672 /nfs/dbraw/zinc/09/86/72/387098672.db2.gz SQYKVWFSKGYNGZ-GXSJLCMTSA-N 1 2 207.277 1.021 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)CCC(F)(F)F ZINC000359430547 387099798 /nfs/dbraw/zinc/09/97/98/387099798.db2.gz JQINEYQPIWRUES-HNNXBMFYSA-N 1 2 240.250 1.621 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@@H]1c1ccco1 ZINC000370237386 387101035 /nfs/dbraw/zinc/10/10/35/387101035.db2.gz VMYKMBFHGWUKPX-GFCCVEGCSA-N 1 2 247.298 1.587 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000335009114 387105407 /nfs/dbraw/zinc/10/54/07/387105407.db2.gz LANPOOPMNPCAQJ-SCZZXKLOSA-N 1 2 239.344 1.544 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccnc1C ZINC000352357885 387110245 /nfs/dbraw/zinc/11/02/45/387110245.db2.gz QHXRRAZQEAXFPK-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1C ZINC000352357885 387110250 /nfs/dbraw/zinc/11/02/50/387110250.db2.gz QHXRRAZQEAXFPK-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000333960321 387112891 /nfs/dbraw/zinc/11/28/91/387112891.db2.gz KYPJCLXRNFRKLG-KOLCDFICSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000333960321 387112899 /nfs/dbraw/zinc/11/28/99/387112899.db2.gz KYPJCLXRNFRKLG-KOLCDFICSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1ccc(C[NH+]2CCS(=O)CC2)cc1C ZINC000119426745 387132565 /nfs/dbraw/zinc/13/25/65/387132565.db2.gz UFDKOTBCKOCKPR-UHFFFAOYSA-N 1 2 237.368 1.868 20 0 BDADLO COCc1nc(C[N@H+](C)C2(CO)CC2)cs1 ZINC000353163183 387147203 /nfs/dbraw/zinc/14/72/03/387147203.db2.gz BRJHFGQXXMCOKB-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@@H+](C)C2(CO)CC2)cs1 ZINC000353163183 387147207 /nfs/dbraw/zinc/14/72/07/387147207.db2.gz BRJHFGQXXMCOKB-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1CCn1cccn1 ZINC000353178597 387150973 /nfs/dbraw/zinc/15/09/73/387150973.db2.gz XZAGVZQOSHCFIG-SECBINFHSA-N 1 2 215.247 1.613 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1CCn1cccn1 ZINC000353178597 387150980 /nfs/dbraw/zinc/15/09/80/387150980.db2.gz XZAGVZQOSHCFIG-SECBINFHSA-N 1 2 215.247 1.613 20 0 BDADLO Fc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000336325108 387152796 /nfs/dbraw/zinc/15/27/96/387152796.db2.gz IQUGIAWVQPWASI-BETUJISGSA-N 1 2 237.274 1.425 20 0 BDADLO Fc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000336325108 387152799 /nfs/dbraw/zinc/15/27/99/387152799.db2.gz IQUGIAWVQPWASI-BETUJISGSA-N 1 2 237.274 1.425 20 0 BDADLO Cn1cc(Cl)c(C[NH2+]Cc2cccn2C)n1 ZINC000393302228 387154469 /nfs/dbraw/zinc/15/44/69/387154469.db2.gz HVVPNQATLOEPIK-UHFFFAOYSA-N 1 2 238.722 1.702 20 0 BDADLO COC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353198965 387156346 /nfs/dbraw/zinc/15/63/46/387156346.db2.gz AQXRVZCDXNLRQN-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO COC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353198965 387156349 /nfs/dbraw/zinc/15/63/49/387156349.db2.gz AQXRVZCDXNLRQN-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2CC(=O)C2)c[nH+]1 ZINC000571756856 387160530 /nfs/dbraw/zinc/16/05/30/387160530.db2.gz XWYPCRSEMJJXJY-UHFFFAOYSA-N 1 2 232.283 1.294 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418132407 387160882 /nfs/dbraw/zinc/16/08/82/387160882.db2.gz JCWREZVFCXNHHO-SNVBAGLBSA-N 1 2 244.289 1.147 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]CC(=O)OC)C12CCCC2 ZINC000085677393 387167460 /nfs/dbraw/zinc/16/74/60/387167460.db2.gz MTWDKPNOCVZKTJ-QWRGUYRKSA-N 1 2 241.331 1.487 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)OC)C12CCCC2 ZINC000085677397 387168049 /nfs/dbraw/zinc/16/80/49/387168049.db2.gz MTWDKPNOCVZKTJ-GHMZBOCLSA-N 1 2 241.331 1.487 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@@H]2C)cs1 ZINC000371199641 387173105 /nfs/dbraw/zinc/17/31/05/387173105.db2.gz VQQHKAKQONVIGE-QMMMGPOBSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cs1 ZINC000371199641 387173111 /nfs/dbraw/zinc/17/31/11/387173111.db2.gz VQQHKAKQONVIGE-QMMMGPOBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336347589 387176288 /nfs/dbraw/zinc/17/62/88/387176288.db2.gz UBLSFBWTRCYEQA-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000168353548 387182204 /nfs/dbraw/zinc/18/22/04/387182204.db2.gz HYXFHTUHCMNPRV-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000168353548 387182210 /nfs/dbraw/zinc/18/22/10/387182210.db2.gz HYXFHTUHCMNPRV-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ncnn1C ZINC000353336287 387183044 /nfs/dbraw/zinc/18/30/44/387183044.db2.gz NSUAHPVPXVGBKG-DTWKUNHWSA-N 1 2 249.293 1.761 20 0 BDADLO COC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352421739 387185428 /nfs/dbraw/zinc/18/54/28/387185428.db2.gz DUFAZEYUZHLOTA-ZYHUDNBSSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352421739 387185430 /nfs/dbraw/zinc/18/54/30/387185430.db2.gz DUFAZEYUZHLOTA-ZYHUDNBSSA-N 1 2 239.315 1.193 20 0 BDADLO C[C@H](NCC(F)(F)C[NH3+])[C@@H]1CC1(C)C ZINC000423337139 387186166 /nfs/dbraw/zinc/18/61/66/387186166.db2.gz HJAKXVQSYMLLTI-YUMQZZPRSA-N 1 2 206.280 1.605 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)n1 ZINC000336357939 387187149 /nfs/dbraw/zinc/18/71/49/387187149.db2.gz QYUMDLFPIOEPEV-GFCCVEGCSA-N 1 2 236.319 1.700 20 0 BDADLO Cn1ccc(C[N@H+]2CCCC[C@]2(C)C(N)=O)n1 ZINC000336357939 387187153 /nfs/dbraw/zinc/18/71/53/387187153.db2.gz QYUMDLFPIOEPEV-GFCCVEGCSA-N 1 2 236.319 1.700 20 0 BDADLO CCCC[C@H]([NH2+]C1CC(OCC)C1)C(=O)OC ZINC000229606140 387187379 /nfs/dbraw/zinc/18/73/79/387187379.db2.gz QEDUCVCRIQCURQ-MCIGGMRASA-N 1 2 243.347 1.875 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1CCCC1 ZINC000058503813 387188038 /nfs/dbraw/zinc/18/80/38/387188038.db2.gz IEQIIUHIHRTSBQ-UHFFFAOYSA-N 1 2 207.277 1.332 20 0 BDADLO COCC1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000423342310 387189790 /nfs/dbraw/zinc/18/97/90/387189790.db2.gz KQOCIQKLXKMLOM-UHFFFAOYSA-N 1 2 236.306 1.375 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC2CCC1CC2 ZINC000371392470 387204338 /nfs/dbraw/zinc/20/43/38/387204338.db2.gz JLIAPKRTYGQNPQ-UHFFFAOYSA-N 1 2 248.330 1.504 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCCO1 ZINC000060494620 387215467 /nfs/dbraw/zinc/21/54/67/387215467.db2.gz BRSAVCKCLNXSMA-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCCO1 ZINC000060494620 387215472 /nfs/dbraw/zinc/21/54/72/387215472.db2.gz BRSAVCKCLNXSMA-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO c1cnc(CSCC[NH+]2CCOCC2)nc1 ZINC000187841490 387215838 /nfs/dbraw/zinc/21/58/38/387215838.db2.gz HIYMURHPRWNOPL-UHFFFAOYSA-N 1 2 239.344 1.042 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336422244 387252904 /nfs/dbraw/zinc/25/29/04/387252904.db2.gz XMEGWSDWLHAXQK-UWVGGRQHSA-N 1 2 214.284 1.041 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336422244 387252912 /nfs/dbraw/zinc/25/29/12/387252912.db2.gz XMEGWSDWLHAXQK-UWVGGRQHSA-N 1 2 214.284 1.041 20 0 BDADLO CCCN(CC)C(=O)[C@H]([NH3+])c1cscn1 ZINC000571992585 387217578 /nfs/dbraw/zinc/21/75/78/387217578.db2.gz YZUHCKBTKDHVGO-SECBINFHSA-N 1 2 227.333 1.401 20 0 BDADLO Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000353505787 387217971 /nfs/dbraw/zinc/21/79/71/387217971.db2.gz WDEYBECWBYDCNL-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CCCC(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000371464781 387219570 /nfs/dbraw/zinc/21/95/70/387219570.db2.gz WPDBYKNXBXDISN-JTQLQIEISA-N 1 2 221.304 1.884 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](O)C2)no1 ZINC000336392878 387219826 /nfs/dbraw/zinc/21/98/26/387219826.db2.gz UALVSZBSLWUCOV-NSHDSACASA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](O)C2)no1 ZINC000336392878 387219830 /nfs/dbraw/zinc/21/98/30/387219830.db2.gz UALVSZBSLWUCOV-NSHDSACASA-N 1 2 238.331 1.929 20 0 BDADLO O=c1[nH]c2cccc(NCc3[nH]cc[nH+]3)c2o1 ZINC000352465602 387230363 /nfs/dbraw/zinc/23/03/63/387230363.db2.gz LTRXVAAMNBWVBF-UHFFFAOYSA-N 1 2 230.227 1.869 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000353577922 387233430 /nfs/dbraw/zinc/23/34/30/387233430.db2.gz TVQUQZMSMZQXFQ-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000353577922 387233434 /nfs/dbraw/zinc/23/34/34/387233434.db2.gz TVQUQZMSMZQXFQ-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccncc1 ZINC000161520323 387236575 /nfs/dbraw/zinc/23/65/75/387236575.db2.gz BWABHKSTZATDSS-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccncc1 ZINC000161520323 387236578 /nfs/dbraw/zinc/23/65/78/387236578.db2.gz BWABHKSTZATDSS-UHFFFAOYSA-N 1 2 235.331 1.428 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H](F)C1 ZINC000424665440 387241198 /nfs/dbraw/zinc/24/11/98/387241198.db2.gz NPGJPKFZEHWOSX-NXEZZACHSA-N 1 2 239.294 1.597 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@H](C)COC)no1 ZINC000353605958 387241106 /nfs/dbraw/zinc/24/11/06/387241106.db2.gz CSQSSMBRULCGTQ-BDAKNGLRSA-N 1 2 243.307 1.292 20 0 BDADLO Cc1cc(NC[C@H](O)C(F)F)nc(C(C)C)[nH+]1 ZINC000230186199 387242953 /nfs/dbraw/zinc/24/29/53/387242953.db2.gz NCEVTONQCCZXST-QMMMGPOBSA-N 1 2 245.273 1.946 20 0 BDADLO O=C(CC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336415861 387243559 /nfs/dbraw/zinc/24/35/59/387243559.db2.gz ARUDBBVKWLDIIH-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO Cc1nnc(C[N@H+](CCO)CC2CC2)s1 ZINC000352492129 387250179 /nfs/dbraw/zinc/25/01/79/387250179.db2.gz VYNDBWYJNZBUQT-UHFFFAOYSA-N 1 2 227.333 1.051 20 0 BDADLO Cc1nnc(C[N@@H+](CCO)CC2CC2)s1 ZINC000352492129 387250184 /nfs/dbraw/zinc/25/01/84/387250184.db2.gz VYNDBWYJNZBUQT-UHFFFAOYSA-N 1 2 227.333 1.051 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360263005 387252015 /nfs/dbraw/zinc/25/20/15/387252015.db2.gz WKKLXOWEFPQQHB-WCBMZHEXSA-N 1 2 207.277 1.462 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360263005 387252019 /nfs/dbraw/zinc/25/20/19/387252019.db2.gz WKKLXOWEFPQQHB-WCBMZHEXSA-N 1 2 207.277 1.462 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000336364914 387196952 /nfs/dbraw/zinc/19/69/52/387196952.db2.gz VIYVACVKKZXISQ-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCOCC23CC3)cn1 ZINC000336364914 387196960 /nfs/dbraw/zinc/19/69/60/387196960.db2.gz VIYVACVKKZXISQ-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000571923654 387199027 /nfs/dbraw/zinc/19/90/27/387199027.db2.gz XQGWBYZNCSKBDJ-SDDRHHMPSA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@@H](C(=O)NCc1[nH]c[nH+]c1C)C(C)C ZINC000354016373 387309566 /nfs/dbraw/zinc/30/95/66/387309566.db2.gz YKHJAHHYOJJJSD-SNVBAGLBSA-N 1 2 225.292 1.005 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CC(C)C)C2 ZINC000372551624 387311740 /nfs/dbraw/zinc/31/17/40/387311740.db2.gz VOXBKZYDWOOZON-NSHDSACASA-N 1 2 235.331 1.669 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000336429995 387257073 /nfs/dbraw/zinc/25/70/73/387257073.db2.gz LFDIKMXSMSBWDK-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000336429995 387257076 /nfs/dbraw/zinc/25/70/76/387257076.db2.gz LFDIKMXSMSBWDK-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO CO[C@H](CNc1nc(C)[nH+]cc1C)CC(C)C ZINC000572179079 387257367 /nfs/dbraw/zinc/25/73/67/387257367.db2.gz HRTDDRROVZWZOG-LBPRGKRZSA-N 1 2 237.347 1.988 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@](C)(F)C2)cn1 ZINC000336437450 387263035 /nfs/dbraw/zinc/26/30/35/387263035.db2.gz IYZNYZPLAYRGPQ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@](C)(F)C2)cn1 ZINC000336437450 387263038 /nfs/dbraw/zinc/26/30/38/387263038.db2.gz IYZNYZPLAYRGPQ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000336439748 387264448 /nfs/dbraw/zinc/26/44/48/387264448.db2.gz ORJHYVWUTOPPIZ-ZJUUUORDSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000336439748 387264453 /nfs/dbraw/zinc/26/44/53/387264453.db2.gz ORJHYVWUTOPPIZ-ZJUUUORDSA-N 1 2 208.309 1.699 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@H]1F ZINC000424744491 387264831 /nfs/dbraw/zinc/26/48/31/387264831.db2.gz UTKDYVPBBUBTGA-PWSUYJOCSA-N 1 2 239.294 1.480 20 0 BDADLO CC(C)=CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000520820136 387273014 /nfs/dbraw/zinc/27/30/14/387273014.db2.gz ZJEBAIUIIZCCHY-NSHDSACASA-N 1 2 221.304 1.917 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000336446560 387275886 /nfs/dbraw/zinc/27/58/86/387275886.db2.gz RYSBKJULZKBOKW-JTQLQIEISA-N 1 2 248.330 1.597 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC(C)C)CC2 ZINC000623931624 387282381 /nfs/dbraw/zinc/28/23/81/387282381.db2.gz DCXGGPGSDOGBSW-LBPRGKRZSA-N 1 2 249.358 1.868 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000336461217 387289944 /nfs/dbraw/zinc/28/99/44/387289944.db2.gz UWARBUYJSYUGPZ-AOOOYVTPSA-N 1 2 208.309 1.842 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000336461217 387289948 /nfs/dbraw/zinc/28/99/48/387289948.db2.gz UWARBUYJSYUGPZ-AOOOYVTPSA-N 1 2 208.309 1.842 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccccn3)[C@@H]12 ZINC000372335826 387291921 /nfs/dbraw/zinc/29/19/21/387291921.db2.gz APRJYDJMBXHUOD-ZYHUDNBSSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccccn3)[C@@H]12 ZINC000372335826 387291925 /nfs/dbraw/zinc/29/19/25/387291925.db2.gz APRJYDJMBXHUOD-ZYHUDNBSSA-N 1 2 232.283 1.219 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000336491538 387318478 /nfs/dbraw/zinc/31/84/78/387318478.db2.gz ANADLFOOPIBVTN-IUCAKERBSA-N 1 2 212.272 1.403 20 0 BDADLO CC[C@H](F)C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000336491538 387318480 /nfs/dbraw/zinc/31/84/80/387318480.db2.gz ANADLFOOPIBVTN-IUCAKERBSA-N 1 2 212.272 1.403 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000336539347 387361725 /nfs/dbraw/zinc/36/17/25/387361725.db2.gz QFSYMTMINRXNMT-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cncc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000336539347 387361729 /nfs/dbraw/zinc/36/17/29/387361729.db2.gz QFSYMTMINRXNMT-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cc(NC(=O)[C@@](C)(O)C(C)C)cc[nH+]1 ZINC000336540230 387363108 /nfs/dbraw/zinc/36/31/08/387363108.db2.gz NDHHPLIJIIILAV-LBPRGKRZSA-N 1 2 222.288 1.157 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000336551480 387373167 /nfs/dbraw/zinc/37/31/67/387373167.db2.gz ARFAFVBXGKTSEO-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1occc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000336551480 387373171 /nfs/dbraw/zinc/37/31/71/387373171.db2.gz ARFAFVBXGKTSEO-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ncc(C)o1 ZINC000336553534 387375870 /nfs/dbraw/zinc/37/58/70/387375870.db2.gz WIGCJVLFEODCCX-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ncc(C)o1 ZINC000336553534 387375876 /nfs/dbraw/zinc/37/58/76/387375876.db2.gz WIGCJVLFEODCCX-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C)nc1 ZINC000360964643 387376179 /nfs/dbraw/zinc/37/61/79/387376179.db2.gz WEZMNBPFWITBIZ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C)nc1 ZINC000360964643 387376187 /nfs/dbraw/zinc/37/61/87/387376187.db2.gz WEZMNBPFWITBIZ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO FC(F)(F)CN1CCn2cc[nH+]c2C1 ZINC000336553112 387376169 /nfs/dbraw/zinc/37/61/69/387376169.db2.gz WVZYZEVKCMMWHJ-UHFFFAOYSA-N 1 2 205.183 1.261 20 0 BDADLO Cc1noc(C[N@@H+]2CCS[C@H](C(C)C)C2)n1 ZINC000336555248 387377323 /nfs/dbraw/zinc/37/73/23/387377323.db2.gz NABORBOOVBDCCB-JTQLQIEISA-N 1 2 241.360 1.951 20 0 BDADLO Cc1noc(C[N@H+]2CCS[C@H](C(C)C)C2)n1 ZINC000336555248 387377325 /nfs/dbraw/zinc/37/73/25/387377325.db2.gz NABORBOOVBDCCB-JTQLQIEISA-N 1 2 241.360 1.951 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CC2=CCCOC2)n1 ZINC000515432351 387380068 /nfs/dbraw/zinc/38/00/68/387380068.db2.gz AZNNGFBQBXUTRH-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CC2=CCCOC2)n1 ZINC000515432351 387380072 /nfs/dbraw/zinc/38/00/72/387380072.db2.gz AZNNGFBQBXUTRH-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000336558793 387382450 /nfs/dbraw/zinc/38/24/50/387382450.db2.gz JSHCZSISIGQSMN-RKDXNWHRSA-N 1 2 240.282 1.110 20 0 BDADLO Cc1cc(NCc2nn(C)cc2Cl)nc[nH+]1 ZINC000393339254 387327829 /nfs/dbraw/zinc/32/78/29/387327829.db2.gz SHXKISQVJRFOIY-UHFFFAOYSA-N 1 2 237.694 1.206 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCn2ccnc2C1 ZINC000336501431 387327860 /nfs/dbraw/zinc/32/78/60/387327860.db2.gz UHQDRRKBGVLVFD-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1ccncc1C[N@H+]1CCn2ccnc2C1 ZINC000336501431 387327873 /nfs/dbraw/zinc/32/78/73/387327873.db2.gz UHQDRRKBGVLVFD-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO CN(C)c1ccc(NCC2(C)COC2)[nH+]c1 ZINC000286530135 387331276 /nfs/dbraw/zinc/33/12/76/387331276.db2.gz NPZQARWXJBGTSK-UHFFFAOYSA-N 1 2 221.304 1.596 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C2(C)CC2)CC1 ZINC000515041856 387333803 /nfs/dbraw/zinc/33/38/03/387333803.db2.gz IGRQNOWBKGCKFX-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360733695 387343813 /nfs/dbraw/zinc/34/38/13/387343813.db2.gz CKAUKSVQEMPZBQ-PWSUYJOCSA-N 1 2 221.304 1.708 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360733695 387343817 /nfs/dbraw/zinc/34/38/17/387343817.db2.gz CKAUKSVQEMPZBQ-PWSUYJOCSA-N 1 2 221.304 1.708 20 0 BDADLO CC(C)OC[C@H](CO)[N@H+](C)Cc1nccs1 ZINC000515919202 387442547 /nfs/dbraw/zinc/44/25/47/387442547.db2.gz DCBUHXLWNSHKSS-JTQLQIEISA-N 1 2 244.360 1.361 20 0 BDADLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1nccs1 ZINC000515919202 387442554 /nfs/dbraw/zinc/44/25/54/387442554.db2.gz DCBUHXLWNSHKSS-JTQLQIEISA-N 1 2 244.360 1.361 20 0 BDADLO O=C(c1ccccc1F)N1CCn2c[nH+]cc2C1 ZINC000336600697 387444992 /nfs/dbraw/zinc/44/49/92/387444992.db2.gz HBKJRMCBTZAIEI-UHFFFAOYSA-N 1 2 245.257 1.678 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000361437628 387462376 /nfs/dbraw/zinc/46/23/76/387462376.db2.gz NKBHXCWSGJUBGK-NXEZZACHSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000361437628 387462379 /nfs/dbraw/zinc/46/23/79/387462379.db2.gz NKBHXCWSGJUBGK-NXEZZACHSA-N 1 2 239.319 1.975 20 0 BDADLO CC(=O)c1cc(C[N@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000515497081 387390781 /nfs/dbraw/zinc/39/07/81/387390781.db2.gz SJWVONILLNRAFW-OCAPTIKFSA-N 1 2 208.261 1.860 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000515497081 387390784 /nfs/dbraw/zinc/39/07/84/387390784.db2.gz SJWVONILLNRAFW-OCAPTIKFSA-N 1 2 208.261 1.860 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000515499254 387390851 /nfs/dbraw/zinc/39/08/51/387390851.db2.gz DHGMFVOPJDNOEE-UWVGGRQHSA-N 1 2 236.319 1.939 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373747997 387394003 /nfs/dbraw/zinc/39/40/03/387394003.db2.gz ZOHASKZCYAMERX-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@@H]2CCOC2)n1C ZINC000361422321 387460551 /nfs/dbraw/zinc/46/05/51/387460551.db2.gz ZSUFBCGHIPPCAD-LLVKDONJSA-N 1 2 238.335 1.123 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@@H]2CCOC2)n1C ZINC000361422321 387460554 /nfs/dbraw/zinc/46/05/54/387460554.db2.gz ZSUFBCGHIPPCAD-LLVKDONJSA-N 1 2 238.335 1.123 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)n(C)n1 ZINC000417964546 387405986 /nfs/dbraw/zinc/40/59/86/387405986.db2.gz LJRRTUFLPDERJF-NSHDSACASA-N 1 2 247.346 1.655 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)n(C)n1 ZINC000417964546 387405989 /nfs/dbraw/zinc/40/59/89/387405989.db2.gz LJRRTUFLPDERJF-NSHDSACASA-N 1 2 247.346 1.655 20 0 BDADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nncn1C ZINC000162525505 387409228 /nfs/dbraw/zinc/40/92/28/387409228.db2.gz VVHUVZGXKHNHFK-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nncn1C ZINC000162525505 387409233 /nfs/dbraw/zinc/40/92/33/387409233.db2.gz VVHUVZGXKHNHFK-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000648667962 387410927 /nfs/dbraw/zinc/41/09/27/387410927.db2.gz WJAQAYOCSPNRAM-JHJVBQTASA-N 1 2 247.342 1.968 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000515668557 387415752 /nfs/dbraw/zinc/41/57/52/387415752.db2.gz INUKMEPYCPHATM-VWYCJHECSA-N 1 2 235.331 1.988 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000515668557 387415754 /nfs/dbraw/zinc/41/57/54/387415754.db2.gz INUKMEPYCPHATM-VWYCJHECSA-N 1 2 235.331 1.988 20 0 BDADLO CC[N@@H+](Cc1nnc(C)o1)C[C@@H](C)OC ZINC000361563094 387493826 /nfs/dbraw/zinc/49/38/26/387493826.db2.gz KTPZOASYVGUWNL-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1nnc(C)o1)C[C@@H](C)OC ZINC000361563094 387493831 /nfs/dbraw/zinc/49/38/31/387493831.db2.gz KTPZOASYVGUWNL-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000355496491 387543374 /nfs/dbraw/zinc/54/33/74/387543374.db2.gz BXVUCLAKFMJZDE-UHTWSYAYSA-N 1 2 246.310 1.429 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)nc1C ZINC000361628945 387513943 /nfs/dbraw/zinc/51/39/43/387513943.db2.gz JQAMVEYVVSVBPM-NSHDSACASA-N 1 2 236.315 1.692 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)nc1C ZINC000361628945 387513946 /nfs/dbraw/zinc/51/39/46/387513946.db2.gz JQAMVEYVVSVBPM-NSHDSACASA-N 1 2 236.315 1.692 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000352820581 387516531 /nfs/dbraw/zinc/51/65/31/387516531.db2.gz BCKXBMXFHCVFKL-MNOVXSKESA-N 1 2 234.347 1.433 20 0 BDADLO Cc1cn[nH]c1CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000352820581 387516539 /nfs/dbraw/zinc/51/65/39/387516539.db2.gz BCKXBMXFHCVFKL-MNOVXSKESA-N 1 2 234.347 1.433 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375323251 387525483 /nfs/dbraw/zinc/52/54/83/387525483.db2.gz ZFZSWUFPWWUVJV-QWRGUYRKSA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375323251 387525487 /nfs/dbraw/zinc/52/54/87/387525487.db2.gz ZFZSWUFPWWUVJV-QWRGUYRKSA-N 1 2 239.344 1.682 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000355362920 387525764 /nfs/dbraw/zinc/52/57/64/387525764.db2.gz ADKGPLXQYVKMJT-UHFFFAOYSA-N 1 2 216.668 1.240 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000355362920 387525766 /nfs/dbraw/zinc/52/57/66/387525766.db2.gz ADKGPLXQYVKMJT-UHFFFAOYSA-N 1 2 216.668 1.240 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000375319926 387527061 /nfs/dbraw/zinc/52/70/61/387527061.db2.gz QDJMBKLJBVOOIH-NEPJUHHUSA-N 1 2 249.358 1.950 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375334407 387530595 /nfs/dbraw/zinc/53/05/95/387530595.db2.gz BYVYIMIAXBXCEO-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375334407 387530602 /nfs/dbraw/zinc/53/06/02/387530602.db2.gz BYVYIMIAXBXCEO-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO Cc1n[nH]cc1C1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000375362182 387533658 /nfs/dbraw/zinc/53/36/58/387533658.db2.gz OVZSVGPZDPUSJA-LBPRGKRZSA-N 1 2 249.314 1.213 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000361789303 387535880 /nfs/dbraw/zinc/53/58/80/387535880.db2.gz ROGASQHEBLYSAL-LURJTMIESA-N 1 2 235.209 1.567 20 0 BDADLO CCC1(O)CC[NH+](Cc2ncccn2)CC1 ZINC000361826230 387540106 /nfs/dbraw/zinc/54/01/06/387540106.db2.gz UKIWMLWECFWGGF-UHFFFAOYSA-N 1 2 221.304 1.214 20 0 BDADLO CC[C@@H](C)CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000375451604 387541174 /nfs/dbraw/zinc/54/11/74/387541174.db2.gz WWSWJSFVYVVULU-SNVBAGLBSA-N 1 2 235.331 1.970 20 0 BDADLO O=S1CC[NH+](CCCC2CCOCC2)CC1 ZINC000361463566 387465131 /nfs/dbraw/zinc/46/51/31/387465131.db2.gz MSDWENHNQAGWEB-UHFFFAOYSA-N 1 2 245.388 1.258 20 0 BDADLO CC(C)(C)OC(=O)CC[NH+]1CCOCC1 ZINC000042121821 387473254 /nfs/dbraw/zinc/47/32/54/387473254.db2.gz CUHJAMUCYJXZAA-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352758298 387473382 /nfs/dbraw/zinc/47/33/82/387473382.db2.gz IZVRISRDXWJYBU-LRDDRELGSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)CCOCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352758298 387473387 /nfs/dbraw/zinc/47/33/87/387473387.db2.gz IZVRISRDXWJYBU-LRDDRELGSA-N 1 2 247.404 1.502 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H](C)O)s1 ZINC000361506337 387474775 /nfs/dbraw/zinc/47/47/75/387474775.db2.gz FIOCACHLGQVVKF-RQJHMYQMSA-N 1 2 215.322 1.220 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H](C)O)s1 ZINC000361506337 387474779 /nfs/dbraw/zinc/47/47/79/387474779.db2.gz FIOCACHLGQVVKF-RQJHMYQMSA-N 1 2 215.322 1.220 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@H]1CCOC1 ZINC000355091023 387476419 /nfs/dbraw/zinc/47/64/19/387476419.db2.gz HYGYIDNKETTYFL-QMMMGPOBSA-N 1 2 235.262 1.335 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361515931 387476882 /nfs/dbraw/zinc/47/68/82/387476882.db2.gz MOHMGLQGOBBRRJ-QWHCGFSZSA-N 1 2 247.294 1.455 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361515931 387476889 /nfs/dbraw/zinc/47/68/89/387476889.db2.gz MOHMGLQGOBBRRJ-QWHCGFSZSA-N 1 2 247.294 1.455 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OC ZINC000355080318 387477352 /nfs/dbraw/zinc/47/73/52/387477352.db2.gz DWIXSUHSIJLTOZ-JQWIXIFHSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1CCC1)CC2 ZINC000374681281 387481417 /nfs/dbraw/zinc/48/14/17/387481417.db2.gz UUCYFUZBQQTISQ-UHFFFAOYSA-N 1 2 219.288 1.334 20 0 BDADLO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ncn(C)n1 ZINC000396777596 387490276 /nfs/dbraw/zinc/49/02/76/387490276.db2.gz CSGVSIUKDVFTRP-DTWKUNHWSA-N 1 2 224.308 1.033 20 0 BDADLO O=C(C(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000375754135 387580213 /nfs/dbraw/zinc/58/02/13/387580213.db2.gz JHXAJLSRIXEDKF-MRVPVSSYSA-N 1 2 229.230 1.312 20 0 BDADLO CC[C@H](c1ccccc1)[N@H+](C)Cc1nnnn1C ZINC000355862162 387586475 /nfs/dbraw/zinc/58/64/75/387586475.db2.gz NVHPTINESPBJMR-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@H](c1ccccc1)[N@@H+](C)Cc1nnnn1C ZINC000355862162 387586479 /nfs/dbraw/zinc/58/64/79/387586479.db2.gz NVHPTINESPBJMR-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CCOC(=O)C[N@H+](CC)CC1(F)CC1 ZINC000527509434 387587230 /nfs/dbraw/zinc/58/72/30/387587230.db2.gz FFVDPTFPJJAWIY-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CC1(F)CC1 ZINC000527509434 387587235 /nfs/dbraw/zinc/58/72/35/387587235.db2.gz FFVDPTFPJJAWIY-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399512781 387593491 /nfs/dbraw/zinc/59/34/91/387593491.db2.gz ZVBGPVOBFUPSQD-ZJUUUORDSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000399512781 387593496 /nfs/dbraw/zinc/59/34/96/387593496.db2.gz ZVBGPVOBFUPSQD-ZJUUUORDSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CC1(F)CC1 ZINC000527525327 387596125 /nfs/dbraw/zinc/59/61/25/387596125.db2.gz UAXJXSGGWYNBCD-SNVBAGLBSA-N 1 2 228.311 1.335 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC1(F)CC1 ZINC000527525327 387596128 /nfs/dbraw/zinc/59/61/28/387596128.db2.gz UAXJXSGGWYNBCD-SNVBAGLBSA-N 1 2 228.311 1.335 20 0 BDADLO COC1(C)C[NH+](Cc2cccc3c2OCO3)C1 ZINC000362318499 387596795 /nfs/dbraw/zinc/59/67/95/387596795.db2.gz DIGSDGZYXISIQO-UHFFFAOYSA-N 1 2 235.283 1.636 20 0 BDADLO CC(C)CC[C@@H](O)C[NH+]1CC(O)(C(F)F)C1 ZINC000424127100 387602974 /nfs/dbraw/zinc/60/29/74/387602974.db2.gz AHVNLZMKPMRTQT-SECBINFHSA-N 1 2 237.290 1.095 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccnc(C)c1 ZINC000527538224 387605609 /nfs/dbraw/zinc/60/56/09/387605609.db2.gz IKGQMMXUUUSTPB-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527538224 387605614 /nfs/dbraw/zinc/60/56/14/387605614.db2.gz IKGQMMXUUUSTPB-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CF)C2)ccn1 ZINC000527538158 387606552 /nfs/dbraw/zinc/60/65/52/387606552.db2.gz BRFBSBNRQJMKTJ-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CF)C2)ccn1 ZINC000527538158 387606553 /nfs/dbraw/zinc/60/65/53/387606553.db2.gz BRFBSBNRQJMKTJ-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1nccn1C ZINC000305451306 387607609 /nfs/dbraw/zinc/60/76/09/387607609.db2.gz OLICHRIGPWYAEL-VHSXEESVSA-N 1 2 233.319 1.565 20 0 BDADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2nnnn2C)cc1 ZINC000356028533 387608607 /nfs/dbraw/zinc/60/86/07/387608607.db2.gz JJGRLNJMPAXTCO-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nnnn2C)cc1 ZINC000356028533 387608613 /nfs/dbraw/zinc/60/86/13/387608613.db2.gz JJGRLNJMPAXTCO-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)NCC2(C)C)ccn1 ZINC000527539309 387609106 /nfs/dbraw/zinc/60/91/06/387609106.db2.gz MSKTZGUKBIFBDQ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)NCC2(C)C)ccn1 ZINC000527539309 387609109 /nfs/dbraw/zinc/60/91/09/387609109.db2.gz MSKTZGUKBIFBDQ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000422637132 387609934 /nfs/dbraw/zinc/60/99/34/387609934.db2.gz XLMQUWZGPIMJQZ-SFYZADRCSA-N 1 2 220.263 1.146 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CC(C)(C)OC ZINC000362433398 387612133 /nfs/dbraw/zinc/61/21/33/387612133.db2.gz CEZPZYKYVDKGCF-UHFFFAOYSA-N 1 2 236.315 1.820 20 0 BDADLO CC1(CC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000430435904 387620188 /nfs/dbraw/zinc/62/01/88/387620188.db2.gz GMJKUZYCHRVTKK-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnccn2)ccn1 ZINC000527534522 387626528 /nfs/dbraw/zinc/62/65/28/387626528.db2.gz NLXOALHSEMCYBZ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnccn2)ccn1 ZINC000527534522 387626534 /nfs/dbraw/zinc/62/65/34/387626534.db2.gz NLXOALHSEMCYBZ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000361942637 387553772 /nfs/dbraw/zinc/55/37/72/387553772.db2.gz XDAJBRIHSVKNIA-RKDXNWHRSA-N 1 2 237.328 1.169 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CCC[C@@H]1c1nccs1 ZINC000361942637 387553775 /nfs/dbraw/zinc/55/37/75/387553775.db2.gz XDAJBRIHSVKNIA-RKDXNWHRSA-N 1 2 237.328 1.169 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cncn1C ZINC000355589224 387554170 /nfs/dbraw/zinc/55/41/70/387554170.db2.gz XPBOSWPKBWLVIS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cncn1C ZINC000355589224 387554172 /nfs/dbraw/zinc/55/41/72/387554172.db2.gz XPBOSWPKBWLVIS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccncc1CN(C)Cc1c[nH+]cn1C ZINC000355589224 387554174 /nfs/dbraw/zinc/55/41/74/387554174.db2.gz XPBOSWPKBWLVIS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000330367146 387562795 /nfs/dbraw/zinc/56/27/95/387562795.db2.gz OBLJAKDBIMZTTA-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CCOc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000114123558 387566424 /nfs/dbraw/zinc/56/64/24/387566424.db2.gz GDBDGQGXNPUYBM-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734485 387573757 /nfs/dbraw/zinc/57/37/57/387573757.db2.gz BRDYXAJMZUBPCK-HLTSFMKQSA-N 1 2 224.308 1.377 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734485 387573761 /nfs/dbraw/zinc/57/37/61/387573761.db2.gz BRDYXAJMZUBPCK-HLTSFMKQSA-N 1 2 224.308 1.377 20 0 BDADLO CC[C@H](NC(=O)Cc1cc(C)on1)c1[nH]cc[nH+]1 ZINC000527485196 387579826 /nfs/dbraw/zinc/57/98/26/387579826.db2.gz RNBLJHIBPLIOKM-JTQLQIEISA-N 1 2 248.286 1.516 20 0 BDADLO C[C@H]1[C@@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000362673971 387647407 /nfs/dbraw/zinc/64/74/07/387647407.db2.gz YQONYOWPFJUHLD-GXSJLCMTSA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@@H](NC(=O)c1cn[nH]c1)c1[nH]cc[nH+]1 ZINC000125328269 387650443 /nfs/dbraw/zinc/65/04/43/387650443.db2.gz OLFOPPMCLRZSEE-MRVPVSSYSA-N 1 2 219.248 1.014 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3cccnc3)[C@H]12 ZINC000376549461 387650572 /nfs/dbraw/zinc/65/05/72/387650572.db2.gz YIAQCXZQUNBSID-NEPJUHHUSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3cccnc3)[C@H]12 ZINC000376549461 387650575 /nfs/dbraw/zinc/65/05/75/387650575.db2.gz YIAQCXZQUNBSID-NEPJUHHUSA-N 1 2 232.283 1.219 20 0 BDADLO COCc1nocc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000362798614 387660078 /nfs/dbraw/zinc/66/00/78/387660078.db2.gz RJUBBOJLGBTIBA-UHFFFAOYSA-N 1 2 247.254 1.199 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000527737889 387667697 /nfs/dbraw/zinc/66/76/97/387667697.db2.gz VLKKSGPAVORQRG-UHFFFAOYSA-N 1 2 232.287 1.293 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)ccn1 ZINC000527713362 387669401 /nfs/dbraw/zinc/66/94/01/387669401.db2.gz OQKOTDDSWMSPDW-UHFFFAOYSA-N 1 2 245.330 1.921 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000440707434 387674861 /nfs/dbraw/zinc/67/48/61/387674861.db2.gz YHXCDBGKOJMNAU-CHWSQXEVSA-N 1 2 246.370 1.777 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000440707434 387674867 /nfs/dbraw/zinc/67/48/67/387674867.db2.gz YHXCDBGKOJMNAU-CHWSQXEVSA-N 1 2 246.370 1.777 20 0 BDADLO CCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363079222 387688561 /nfs/dbraw/zinc/68/85/61/387688561.db2.gz RZEYFTAELZEIJY-NSHDSACASA-N 1 2 235.331 1.752 20 0 BDADLO CCC1(O)CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000441342588 387747172 /nfs/dbraw/zinc/74/71/72/387747172.db2.gz ZMFYDCGLASUAAC-UHFFFAOYSA-N 1 2 243.347 1.565 20 0 BDADLO COc1ccc[nH+]c1N(C)Cc1cnn(C)c1 ZINC000527833028 387747716 /nfs/dbraw/zinc/74/77/16/387747716.db2.gz XFTRBGQUDIMONT-UHFFFAOYSA-N 1 2 232.287 1.460 20 0 BDADLO CCCSCC(=O)NC1C[NH+](C(C)C)C1 ZINC000431393293 387704646 /nfs/dbraw/zinc/70/46/46/387704646.db2.gz SSJSUPFOCNALNT-UHFFFAOYSA-N 1 2 230.377 1.338 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccccc1F ZINC000363313560 387706309 /nfs/dbraw/zinc/70/63/09/387706309.db2.gz HGWLSJIMFYQIKY-RYUDHWBXSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1c1ccccc1F ZINC000363313560 387706315 /nfs/dbraw/zinc/70/63/15/387706315.db2.gz HGWLSJIMFYQIKY-RYUDHWBXSA-N 1 2 236.290 1.836 20 0 BDADLO CN(C)c1nc(COc2cc[nH+]cc2)ns1 ZINC000431481105 387709572 /nfs/dbraw/zinc/70/95/72/387709572.db2.gz GUHQYGOZMWRAGW-UHFFFAOYSA-N 1 2 236.300 1.578 20 0 BDADLO CC[C@H](O)CCNc1cccc(-n2cc[nH+]c2)n1 ZINC000378195252 387770532 /nfs/dbraw/zinc/77/05/32/387770532.db2.gz UZBPSAHUKCVGBX-NSHDSACASA-N 1 2 246.314 1.262 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1[nH+]cccc1OC ZINC000527891232 387774665 /nfs/dbraw/zinc/77/46/65/387774665.db2.gz GAISKVSUBIBDIN-ZJUUUORDSA-N 1 2 224.304 1.909 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@H]1CCC[C@H]1O ZINC000527938929 387781968 /nfs/dbraw/zinc/78/19/68/387781968.db2.gz KKSHSDULTPMCDW-GHMZBOCLSA-N 1 2 236.315 1.687 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000527947930 387782821 /nfs/dbraw/zinc/78/28/21/387782821.db2.gz YUSTYBOQDOJNMR-DLOVCJGASA-N 1 2 233.315 1.291 20 0 BDADLO CCCc1noc(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000378485834 387786392 /nfs/dbraw/zinc/78/63/92/387786392.db2.gz BQEZUVXOLOOGNE-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000378485834 387786397 /nfs/dbraw/zinc/78/63/97/387786397.db2.gz BQEZUVXOLOOGNE-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO Cc1nnc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000378481327 387786783 /nfs/dbraw/zinc/78/67/83/387786783.db2.gz JLHQXTIAAFASSM-SECBINFHSA-N 1 2 249.343 1.907 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cn2ccnc2s1 ZINC000442653303 387812682 /nfs/dbraw/zinc/81/26/82/387812682.db2.gz PRPWFUYTXGGWJT-UHFFFAOYSA-N 1 2 247.283 1.049 20 0 BDADLO O=C(COCC1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378516417 387788925 /nfs/dbraw/zinc/78/89/25/387788925.db2.gz HVQBQLNQFPDRIC-LLVKDONJSA-N 1 2 249.314 1.500 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000359977749 387791181 /nfs/dbraw/zinc/79/11/81/387791181.db2.gz LNCUBLPMPKMANZ-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccncc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000359977749 387791185 /nfs/dbraw/zinc/79/11/85/387791185.db2.gz LNCUBLPMPKMANZ-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](C)c1nncn1C ZINC000527981807 387800123 /nfs/dbraw/zinc/80/01/23/387800123.db2.gz PYZLKFOVRNIZSH-VIFPVBQESA-N 1 2 247.302 1.434 20 0 BDADLO Cc1c([C@@H](C)[NH2+]Cc2nccn2C)cnn1C ZINC000051923460 387801078 /nfs/dbraw/zinc/80/10/78/387801078.db2.gz ONECUQKWSYXEEI-SECBINFHSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1occc1C[NH+]1CC2(C1)CCCO2 ZINC000628427776 387801909 /nfs/dbraw/zinc/80/19/09/387801909.db2.gz YKDSHPHVRROXIX-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000527988858 387804391 /nfs/dbraw/zinc/80/43/91/387804391.db2.gz YVDXQJOMQAMPQY-FPQZTECRSA-N 1 2 247.342 1.680 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H]1CCCC(=O)N1 ZINC000527991860 387805203 /nfs/dbraw/zinc/80/52/03/387805203.db2.gz LOUOFGNTXQVAQC-VIFPVBQESA-N 1 2 235.287 1.171 20 0 BDADLO CC(=O)CCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333523 387805249 /nfs/dbraw/zinc/80/52/49/387805249.db2.gz JMQREFKZBWYBTF-UHFFFAOYSA-N 1 2 249.314 1.917 20 0 BDADLO CCCOCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336607 387806962 /nfs/dbraw/zinc/80/69/62/387806962.db2.gz WFVMAPIJJWTYHA-UHFFFAOYSA-N 1 2 237.303 1.585 20 0 BDADLO Nc1cc(CSc2nncs2)cc[nH+]1 ZINC000052756164 387807708 /nfs/dbraw/zinc/80/77/08/387807708.db2.gz YZHZQTWDIQZQCE-UHFFFAOYSA-N 1 2 224.314 1.808 20 0 BDADLO COCCOC1CC[NH+](Cc2cocn2)CC1 ZINC000432751542 387811517 /nfs/dbraw/zinc/81/15/17/387811517.db2.gz XPULLKJJTVHIIG-UHFFFAOYSA-N 1 2 240.303 1.302 20 0 BDADLO Cn1nnnc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000377912416 387757484 /nfs/dbraw/zinc/75/74/84/387757484.db2.gz NTLOWOKVKDKTQF-UHFFFAOYSA-N 1 2 249.362 1.612 20 0 BDADLO CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(F)(F)F ZINC000356968586 387757962 /nfs/dbraw/zinc/75/79/62/387757962.db2.gz BWYWODPFNQIBGI-SSDOTTSWSA-N 1 2 249.236 1.799 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@H](C)OC ZINC000528019766 387827515 /nfs/dbraw/zinc/82/75/15/387827515.db2.gz XSSZUZIHXLCRNF-VIFPVBQESA-N 1 2 210.277 1.561 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1ccccn1 ZINC000054459192 387827746 /nfs/dbraw/zinc/82/77/46/387827746.db2.gz JRRDHNZZAGUQBN-JTQLQIEISA-N 1 2 214.272 1.722 20 0 BDADLO CC[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000054474625 387828073 /nfs/dbraw/zinc/82/80/73/387828073.db2.gz QEMOVQUUIRHJLA-MRVPVSSYSA-N 1 2 219.292 1.821 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nn2)o1 ZINC000054859492 387829328 /nfs/dbraw/zinc/82/93/28/387829328.db2.gz IAOBVNXCLOKHHD-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(F)F ZINC000452457457 387829637 /nfs/dbraw/zinc/82/96/37/387829637.db2.gz KPOZIDISHVVOOQ-MRVPVSSYSA-N 1 2 231.246 1.433 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC[C@H](C)O)[nH+]1 ZINC000432829301 387831193 /nfs/dbraw/zinc/83/11/93/387831193.db2.gz NKNNLISYLLEDHF-QMMMGPOBSA-N 1 2 234.303 1.791 20 0 BDADLO C/C=C/C[C@@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000432918432 387840406 /nfs/dbraw/zinc/84/04/06/387840406.db2.gz SCNUYYLMBDKXLP-OWZLBQIQSA-N 1 2 241.331 1.651 20 0 BDADLO CC[C@@H](NC(=O)c1ccn(C)c1)c1[nH]cc[nH+]1 ZINC000442789577 387841592 /nfs/dbraw/zinc/84/15/92/387841592.db2.gz FKIMIPPTKREWAK-SNVBAGLBSA-N 1 2 232.287 1.629 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000528157570 387856842 /nfs/dbraw/zinc/85/68/42/387856842.db2.gz LJSVFSMYQAXIIB-SKDRFNHKSA-N 1 2 247.302 1.343 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000452572639 387861305 /nfs/dbraw/zinc/86/13/05/387861305.db2.gz UINNVGQRVLZMLG-GHMZBOCLSA-N 1 2 233.315 1.565 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432779653 387817167 /nfs/dbraw/zinc/81/71/67/387817167.db2.gz IEMDSYYIRIEHNI-UHFFFAOYSA-N 1 2 240.351 1.571 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432779653 387817175 /nfs/dbraw/zinc/81/71/75/387817175.db2.gz IEMDSYYIRIEHNI-UHFFFAOYSA-N 1 2 240.351 1.571 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000448710207 387898224 /nfs/dbraw/zinc/89/82/24/387898224.db2.gz SPTFRRRKDOJFFE-MROQNXINSA-N 1 2 247.342 1.824 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cncc(F)c2)n1 ZINC000424194815 387917960 /nfs/dbraw/zinc/91/79/60/387917960.db2.gz WZTKTRQTIPIMMF-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO CCC[C@H](CC)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423116587 387899229 /nfs/dbraw/zinc/89/92/29/387899229.db2.gz QMVGEYILUMPMBS-WCBMZHEXSA-N 1 2 241.360 1.838 20 0 BDADLO OC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000528350964 387905061 /nfs/dbraw/zinc/90/50/61/387905061.db2.gz UYPGJULPWNGTNW-UHFFFAOYSA-N 1 2 239.344 1.372 20 0 BDADLO CC(=O)CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452763920 387909001 /nfs/dbraw/zinc/90/90/01/387909001.db2.gz ZTJLHVGFDCNQQK-UHFFFAOYSA-N 1 2 235.287 1.527 20 0 BDADLO COC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000195433497 387915981 /nfs/dbraw/zinc/91/59/81/387915981.db2.gz XLDVRPUHKGHSOR-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO CC(C)c1nc(C[N@H+](CCO)C2CCC2)no1 ZINC000221205103 387930981 /nfs/dbraw/zinc/93/09/81/387930981.db2.gz JKVZTFVWVOHWIP-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@@H+](CCO)C2CCC2)no1 ZINC000221205103 387930986 /nfs/dbraw/zinc/93/09/86/387930986.db2.gz JKVZTFVWVOHWIP-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)(C)OC(=O)C1([NH2+]CCCO)CCCC1 ZINC000533057141 387922036 /nfs/dbraw/zinc/92/20/36/387922036.db2.gz WLTBBHMTVKCUBI-UHFFFAOYSA-N 1 2 243.347 1.613 20 0 BDADLO CC[C@@H](C)[N@H+](C)Cc1nsc(N(C)C)n1 ZINC000158137023 387922422 /nfs/dbraw/zinc/92/24/22/387922422.db2.gz NCICXJOHJSGAJY-MRVPVSSYSA-N 1 2 228.365 1.834 20 0 BDADLO CC[C@@H](C)[N@@H+](C)Cc1nsc(N(C)C)n1 ZINC000158137023 387922427 /nfs/dbraw/zinc/92/24/27/387922427.db2.gz NCICXJOHJSGAJY-MRVPVSSYSA-N 1 2 228.365 1.834 20 0 BDADLO Cn1cc[nH+]c1CN1CCc2ncsc2C1 ZINC000438363602 387928812 /nfs/dbraw/zinc/92/88/12/387928812.db2.gz LBMGMHZRKKUEMP-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000245513935 387954344 /nfs/dbraw/zinc/95/43/44/387954344.db2.gz DURZNNJRYWNONX-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000245513935 387954348 /nfs/dbraw/zinc/95/43/48/387954348.db2.gz DURZNNJRYWNONX-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427291 387970775 /nfs/dbraw/zinc/97/07/75/387970775.db2.gz ZKSWMXWUWJPYGE-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427291 387970780 /nfs/dbraw/zinc/97/07/80/387970780.db2.gz ZKSWMXWUWJPYGE-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@H](C)[C@@H](C)O1 ZINC000446072281 387993134 /nfs/dbraw/zinc/99/31/34/387993134.db2.gz PJQFNIHLTAVPJA-BGZDPUMWSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@H](C)[C@@H](C)O1 ZINC000446072281 387993137 /nfs/dbraw/zinc/99/31/37/387993137.db2.gz PJQFNIHLTAVPJA-BGZDPUMWSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC000245777944 387982917 /nfs/dbraw/zinc/98/29/17/387982917.db2.gz UKWSVYLRKVZGEO-VHSXEESVSA-N 1 2 245.330 1.846 20 0 BDADLO CNC(=O)C[C@@H](C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423221736 388001334 /nfs/dbraw/zinc/00/13/34/388001334.db2.gz XVSIIYDRPAIRTL-SECBINFHSA-N 1 2 233.315 1.591 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423221736 388001339 /nfs/dbraw/zinc/00/13/39/388001339.db2.gz XVSIIYDRPAIRTL-SECBINFHSA-N 1 2 233.315 1.591 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1CC1=CCCC1 ZINC000645889308 388004774 /nfs/dbraw/zinc/00/47/74/388004774.db2.gz CCJONUSBYPGDLN-JTQLQIEISA-N 1 2 218.304 1.765 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1CC1=CCCC1 ZINC000645889308 388004777 /nfs/dbraw/zinc/00/47/77/388004777.db2.gz CCJONUSBYPGDLN-JTQLQIEISA-N 1 2 218.304 1.765 20 0 BDADLO C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000246119480 388012307 /nfs/dbraw/zinc/01/23/07/388012307.db2.gz ANOZVSHGSRORPD-ZJUUUORDSA-N 1 2 245.330 1.988 20 0 BDADLO COc1ccccc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000082268246 388021256 /nfs/dbraw/zinc/02/12/56/388021256.db2.gz YGHIVIYTHKAFKP-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO Cc1cc(NCCOc2ncccc2F)nc[nH+]1 ZINC000446885903 388044367 /nfs/dbraw/zinc/04/43/67/388044367.db2.gz ZIBFAPYIQAFAAS-UHFFFAOYSA-N 1 2 248.261 1.232 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000440270107 388037468 /nfs/dbraw/zinc/03/74/68/388037468.db2.gz SEMHROXYJTXBEM-GRYCIOLGSA-N 1 2 247.342 1.560 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C)n1 ZINC000440664454 388064583 /nfs/dbraw/zinc/06/45/83/388064583.db2.gz PQHYXANSWLZJSM-LLVKDONJSA-N 1 2 235.331 1.299 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N(C)C)n1 ZINC000440664454 388064584 /nfs/dbraw/zinc/06/45/84/388064584.db2.gz PQHYXANSWLZJSM-LLVKDONJSA-N 1 2 235.331 1.299 20 0 BDADLO CO[C@@H]1CCN(c2cc(C)[nH+]cn2)[C@@H](C)C1 ZINC000440666867 388065643 /nfs/dbraw/zinc/06/56/43/388065643.db2.gz HTAUUPANWFBKAH-WDEREUQCSA-N 1 2 221.304 1.789 20 0 BDADLO CCCC[N@H+](C)Cc1ncnn1CCF ZINC000440692126 388067365 /nfs/dbraw/zinc/06/73/65/388067365.db2.gz JGSVNMRIPHSXNG-UHFFFAOYSA-N 1 2 214.288 1.480 20 0 BDADLO CCCC[N@@H+](C)Cc1ncnn1CCF ZINC000440692126 388067370 /nfs/dbraw/zinc/06/73/70/388067370.db2.gz JGSVNMRIPHSXNG-UHFFFAOYSA-N 1 2 214.288 1.480 20 0 BDADLO CC[C@@H](F)C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000440703346 388070932 /nfs/dbraw/zinc/07/09/32/388070932.db2.gz MFYHROUMZITBHP-RKDXNWHRSA-N 1 2 225.329 1.099 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000440703346 388070934 /nfs/dbraw/zinc/07/09/34/388070934.db2.gz MFYHROUMZITBHP-RKDXNWHRSA-N 1 2 225.329 1.099 20 0 BDADLO CCC(=O)C1(C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000448833492 388114744 /nfs/dbraw/zinc/11/47/44/388114744.db2.gz DHNCYWSNUROCMW-UHFFFAOYSA-N 1 2 248.282 1.788 20 0 BDADLO C[C@H]([NH2+]CCn1cccn1)C(=O)OC(C)(C)C ZINC000084222073 388075278 /nfs/dbraw/zinc/07/52/78/388075278.db2.gz SVWDVHZJGMSSDH-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO Cc1nc(N2C[C@H](O)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC000447801574 388093867 /nfs/dbraw/zinc/09/38/67/388093867.db2.gz DDKVZLWVFBSABR-NSHDSACASA-N 1 2 235.331 1.609 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)C(C)(C)C2)[nH+]1 ZINC000447818266 388095292 /nfs/dbraw/zinc/09/52/92/388095292.db2.gz RSPKIUTXPMKFQQ-SNVBAGLBSA-N 1 2 246.314 1.473 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447834076 388096181 /nfs/dbraw/zinc/09/61/81/388096181.db2.gz KFJCSILLRUKGMX-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447834076 388096183 /nfs/dbraw/zinc/09/61/83/388096183.db2.gz KFJCSILLRUKGMX-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447834077 388096488 /nfs/dbraw/zinc/09/64/88/388096488.db2.gz KFJCSILLRUKGMX-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447834077 388096492 /nfs/dbraw/zinc/09/64/92/388096492.db2.gz KFJCSILLRUKGMX-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000447868839 388099533 /nfs/dbraw/zinc/09/95/33/388099533.db2.gz NFYFPJKBDDGMAV-MRVPVSSYSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000447868839 388099534 /nfs/dbraw/zinc/09/95/34/388099534.db2.gz NFYFPJKBDDGMAV-MRVPVSSYSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(F)c[nH]1)CC2 ZINC000645972266 388107085 /nfs/dbraw/zinc/10/70/85/388107085.db2.gz WCVZBJYLZLHVHK-UHFFFAOYSA-N 1 2 248.261 1.315 20 0 BDADLO Nc1ncc(C[NH+]2CCN(C3CC3)CC2)s1 ZINC000086766128 388108087 /nfs/dbraw/zinc/10/80/87/388108087.db2.gz VNOQQXGXCZXEPW-UHFFFAOYSA-N 1 2 238.360 1.005 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC1CC1 ZINC000454210608 388108627 /nfs/dbraw/zinc/10/86/27/388108627.db2.gz ZTGOGKQVBPKNSE-VIFPVBQESA-N 1 2 236.319 1.673 20 0 BDADLO O=C(c1ccc(F)cn1)N1CCc2[nH]c[nH+]c2C1 ZINC000646256967 388171026 /nfs/dbraw/zinc/17/10/26/388171026.db2.gz JZCREDUPMDVORJ-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO O=C(c1ccc(F)cn1)N1CCc2[nH+]c[nH]c2C1 ZINC000646256967 388171027 /nfs/dbraw/zinc/17/10/27/388171027.db2.gz JZCREDUPMDVORJ-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO Cc1ncc(C(=O)N2CCc3[nH]c[nH+]c3C2)s1 ZINC000646259685 388171568 /nfs/dbraw/zinc/17/15/68/388171568.db2.gz SAUVPWYGOWNELP-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO Cc1ncc(C(=O)N2CCc3[nH+]c[nH]c3C2)s1 ZINC000646259685 388171570 /nfs/dbraw/zinc/17/15/70/388171570.db2.gz SAUVPWYGOWNELP-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO CC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000646258368 388172366 /nfs/dbraw/zinc/17/23/66/388172366.db2.gz SPAATRYQWBHHBC-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO CC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000646258368 388172369 /nfs/dbraw/zinc/17/23/69/388172369.db2.gz SPAATRYQWBHHBC-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccc(CC)nc2)[nH]1 ZINC000449350843 388179184 /nfs/dbraw/zinc/17/91/84/388179184.db2.gz WXPLVRLTHKYAGG-UHFFFAOYSA-N 1 2 245.330 1.614 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnc2cnccn12)C(F)F ZINC000449359298 388181248 /nfs/dbraw/zinc/18/12/48/388181248.db2.gz HJLJHVDNFLLKCO-SECBINFHSA-N 1 2 240.257 1.863 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1ncc(Cl)s1 ZINC000449376367 388184520 /nfs/dbraw/zinc/18/45/20/388184520.db2.gz MVGFVMXNYBUDIA-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000449376367 388184522 /nfs/dbraw/zinc/18/45/22/388184522.db2.gz MVGFVMXNYBUDIA-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO Cc1[nH]nc2ncc(C[NH2+]C(CF)CF)cc12 ZINC000449374115 388184817 /nfs/dbraw/zinc/18/48/17/388184817.db2.gz WVOKUONEDZYFIV-UHFFFAOYSA-N 1 2 240.257 1.664 20 0 BDADLO Cc1ncc(C[NH2+]C(CF)CF)s1 ZINC000449372605 388185533 /nfs/dbraw/zinc/18/55/33/388185533.db2.gz JRDFJBWWJKLHMS-UHFFFAOYSA-N 1 2 206.261 1.849 20 0 BDADLO CC1(F)CC(NC(=O)NCCn2cc[nH+]c2)C1 ZINC000454628216 388126523 /nfs/dbraw/zinc/12/65/23/388126523.db2.gz YDKICPHNNMAEOB-UHFFFAOYSA-N 1 2 240.282 1.073 20 0 BDADLO CC/C=C\CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000454968337 388143157 /nfs/dbraw/zinc/14/31/57/388143157.db2.gz HBCRBQBNNHWHSM-XOULXFPDSA-N 1 2 248.330 1.532 20 0 BDADLO CC/C=C\CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000454968337 388143159 /nfs/dbraw/zinc/14/31/59/388143159.db2.gz HBCRBQBNNHWHSM-XOULXFPDSA-N 1 2 248.330 1.532 20 0 BDADLO Cc1cc(NC(=O)NCC[C@H](C)F)cc[nH+]1 ZINC000455051901 388146935 /nfs/dbraw/zinc/14/69/35/388146935.db2.gz YPWRLJFZVJVCEP-QMMMGPOBSA-N 1 2 225.267 1.682 20 0 BDADLO Cc1c[nH+]ccc1CCN1CN(C)C(=O)[C@@H]1C ZINC000646127508 388149313 /nfs/dbraw/zinc/14/93/13/388149313.db2.gz MOBILJBDRIFGHB-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449660299 388249589 /nfs/dbraw/zinc/24/95/89/388249589.db2.gz FVYALUVWLMTFSD-UWVGGRQHSA-N 1 2 217.309 1.341 20 0 BDADLO CC(C)[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449660913 388249620 /nfs/dbraw/zinc/24/96/20/388249620.db2.gz YPCCNWINIMAMKH-VHSXEESVSA-N 1 2 248.317 1.640 20 0 BDADLO CC(C)OC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449659040 388249706 /nfs/dbraw/zinc/24/97/06/388249706.db2.gz CPCFNQOQVGKAJU-QWRGUYRKSA-N 1 2 231.336 1.730 20 0 BDADLO COCC(C)(C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000488704899 388191398 /nfs/dbraw/zinc/19/13/98/388191398.db2.gz SRIPBHPMDQANPX-UHFFFAOYSA-N 1 2 248.330 1.773 20 0 BDADLO CC(C)c1nc(N2CC[C@H](O)C[C@@H]2C)cc[nH+]1 ZINC000488758946 388193441 /nfs/dbraw/zinc/19/34/41/388193441.db2.gz JPLLXOHMOVVKSF-QWRGUYRKSA-N 1 2 235.331 1.950 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccncn1 ZINC000488834242 388196799 /nfs/dbraw/zinc/19/67/99/388196799.db2.gz UYBWJZFZIRSAFS-UHFFFAOYSA-N 1 2 228.255 1.108 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc2cnccn12)C(C)(F)F ZINC000449416508 388198866 /nfs/dbraw/zinc/19/88/66/388198866.db2.gz UMHSSPPXKSDJKA-MRVPVSSYSA-N 1 2 240.257 1.863 20 0 BDADLO CCN(Cc1c[nH+]c2ccc(C)cn12)C1COC1 ZINC000449421498 388200375 /nfs/dbraw/zinc/20/03/75/388200375.db2.gz AONLRKBOUPTKIP-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@H+](Cc1cnc2ccc(C)cn12)C1COC1 ZINC000449421498 388200377 /nfs/dbraw/zinc/20/03/77/388200377.db2.gz AONLRKBOUPTKIP-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@@H+](Cc1cnc2ccc(C)cn12)C1COC1 ZINC000449421498 388200378 /nfs/dbraw/zinc/20/03/78/388200378.db2.gz AONLRKBOUPTKIP-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CCN(Cc1c[nH+]c2c(C)cccn12)C1COC1 ZINC000449421518 388200821 /nfs/dbraw/zinc/20/08/21/388200821.db2.gz ATUTZOSQFMKVFT-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@H+](Cc1cnc2c(C)cccn12)C1COC1 ZINC000449421518 388200824 /nfs/dbraw/zinc/20/08/24/388200824.db2.gz ATUTZOSQFMKVFT-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@@H+](Cc1cnc2c(C)cccn12)C1COC1 ZINC000449421518 388200826 /nfs/dbraw/zinc/20/08/26/388200826.db2.gz ATUTZOSQFMKVFT-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1COC1 ZINC000449423637 388202270 /nfs/dbraw/zinc/20/22/70/388202270.db2.gz IJCPFVXBJMSCQE-UHFFFAOYSA-N 1 2 247.298 1.890 20 0 BDADLO CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1COC1 ZINC000449423637 388202271 /nfs/dbraw/zinc/20/22/71/388202271.db2.gz IJCPFVXBJMSCQE-UHFFFAOYSA-N 1 2 247.298 1.890 20 0 BDADLO Cc1nc(N2C[C@@H]3[C@H](C2)C3(C)C)nc(N(C)C)[nH+]1 ZINC000489971655 388230175 /nfs/dbraw/zinc/23/01/75/388230175.db2.gz KBBHAUMZSDMFIM-AOOOYVTPSA-N 1 2 247.346 1.338 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H]3[C@H](C2)C3(C)C)[nH+]1 ZINC000489971655 388230176 /nfs/dbraw/zinc/23/01/76/388230176.db2.gz KBBHAUMZSDMFIM-AOOOYVTPSA-N 1 2 247.346 1.338 20 0 BDADLO CC[C@H]1CN(CC)CC[N@@H+]1Cc1cccn1C ZINC000449564633 388233422 /nfs/dbraw/zinc/23/34/22/388233422.db2.gz CGYMUHXSHHGOFM-ZDUSSCGKSA-N 1 2 235.375 1.941 20 0 BDADLO CC[C@H]1CN(CC)CC[N@H+]1Cc1cccn1C ZINC000449564633 388233425 /nfs/dbraw/zinc/23/34/25/388233425.db2.gz CGYMUHXSHHGOFM-ZDUSSCGKSA-N 1 2 235.375 1.941 20 0 BDADLO CC[C@@H]1CCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000490068017 388233570 /nfs/dbraw/zinc/23/35/70/388233570.db2.gz AQGVOXLKQBLPLA-GHMZBOCLSA-N 1 2 249.362 1.659 20 0 BDADLO CC[C@@H]1CCC[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000490068017 388233573 /nfs/dbraw/zinc/23/35/73/388233573.db2.gz AQGVOXLKQBLPLA-GHMZBOCLSA-N 1 2 249.362 1.659 20 0 BDADLO CCO[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000518509435 256577909 /nfs/dbraw/zinc/57/79/09/256577909.db2.gz PSQBOWDRHWDFLJ-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)CC1(C)C ZINC000451557356 388281694 /nfs/dbraw/zinc/28/16/94/388281694.db2.gz OPOBGJFKIDXTTM-SNVBAGLBSA-N 1 2 238.335 1.360 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)CC1(C)C ZINC000451557356 388281695 /nfs/dbraw/zinc/28/16/95/388281695.db2.gz OPOBGJFKIDXTTM-SNVBAGLBSA-N 1 2 238.335 1.360 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OCC ZINC000451624565 388285794 /nfs/dbraw/zinc/28/57/94/388285794.db2.gz QUYMEAWKDWCRPJ-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO CC(C)c1noc(C[NH2+][C@H]2COCC2(C)C)n1 ZINC000451820722 388298321 /nfs/dbraw/zinc/29/83/21/388298321.db2.gz BGLKKYXQSAAEMM-VIFPVBQESA-N 1 2 239.319 1.708 20 0 BDADLO CC[C@@H](C)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000451830893 388299351 /nfs/dbraw/zinc/29/93/51/388299351.db2.gz YUSONZHRSLSSEA-ZIAGYGMSSA-N 1 2 240.391 1.972 20 0 BDADLO CC(C)(C)/C=C\C(=O)NCC[NH+]1CCOCC1 ZINC000491685627 388310787 /nfs/dbraw/zinc/31/07/87/388310787.db2.gz MUOKZPQFNQDTES-PLNGDYQASA-N 1 2 240.347 1.037 20 0 BDADLO C[C@H](CNC(=O)/C=C\C1CC1)Cn1cc[nH+]c1 ZINC000492043385 388332571 /nfs/dbraw/zinc/33/25/71/388332571.db2.gz RCNRKNHGWXHXLJ-DOGVGXBMSA-N 1 2 233.315 1.602 20 0 BDADLO COc1cc[nH+]cc1NC(=O)/C=C\C1CC1 ZINC000491945733 388329080 /nfs/dbraw/zinc/32/90/80/388329080.db2.gz PVHMIHQEVXAPAI-PLNGDYQASA-N 1 2 218.256 1.995 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/c1ccc[nH]1 ZINC000492008615 388331444 /nfs/dbraw/zinc/33/14/44/388331444.db2.gz KEXSFBPRSFLLJM-AATRIKPKSA-N 1 2 244.298 1.420 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1nncs1 ZINC000492313107 388341054 /nfs/dbraw/zinc/34/10/54/388341054.db2.gz OBALZRAEBYTRNL-ARJAWSKDSA-N 1 2 249.299 1.406 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ncn(C)n1 ZINC000275476759 388345107 /nfs/dbraw/zinc/34/51/07/388345107.db2.gz BTDZXFXIFFXFRM-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCc3c2cccc3O)n1 ZINC000293666803 388358157 /nfs/dbraw/zinc/35/81/57/388358157.db2.gz UKXUQUVBVDMQAH-LBPRGKRZSA-N 1 2 244.298 1.298 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@H]1C1CC1)n1cc[nH+]c1 ZINC000572609586 388361125 /nfs/dbraw/zinc/36/11/25/388361125.db2.gz VBWHCBUTLBVWSY-JQWIXIFHSA-N 1 2 233.315 1.845 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)no1 ZINC000305158479 388365662 /nfs/dbraw/zinc/36/56/62/388365662.db2.gz DIYWIUWUTYAKAA-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)no1 ZINC000305158479 388365664 /nfs/dbraw/zinc/36/56/64/388365664.db2.gz DIYWIUWUTYAKAA-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO Cn1nncc1CNc1[nH+]c2ccccc2n1C ZINC000288375251 388368848 /nfs/dbraw/zinc/36/88/48/388368848.db2.gz YWNVJWZBPCEJRG-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC(=O)C1 ZINC000572767763 388374890 /nfs/dbraw/zinc/37/48/90/388374890.db2.gz LCHONKOJRFFWEG-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO CCc1cc(NCC[C@H](C)[S@](C)=O)nc[nH+]1 ZINC000133103222 388378881 /nfs/dbraw/zinc/37/88/81/388378881.db2.gz PFRBGGDXSQROTA-XXFAHNHDSA-N 1 2 241.360 1.608 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000236947401 388386503 /nfs/dbraw/zinc/38/65/03/388386503.db2.gz ZVGWICPKBKWHTC-ICCXJUOJSA-N 1 2 232.327 1.773 20 0 BDADLO CC[C@@H](CC(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000236924904 388386810 /nfs/dbraw/zinc/38/68/10/388386810.db2.gz JTZLMVXALIQKDM-MNOVXSKESA-N 1 2 214.353 1.770 20 0 BDADLO CNC(=O)[C@@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000516607641 388389546 /nfs/dbraw/zinc/38/95/46/388389546.db2.gz XQSFSKDFNIGGTA-LLVKDONJSA-N 1 2 248.330 1.056 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)CC[C@H]1O ZINC000252003675 388390663 /nfs/dbraw/zinc/39/06/63/388390663.db2.gz ZDGNSBBMZKRIBH-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC[C@H]1O ZINC000252003675 388390666 /nfs/dbraw/zinc/39/06/66/388390666.db2.gz ZDGNSBBMZKRIBH-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[C@H](NCC(F)(F)CO)c2[nH+]ccn21 ZINC000293838099 388391745 /nfs/dbraw/zinc/39/17/45/388391745.db2.gz BTNMQYKZQOQICY-SFYZADRCSA-N 1 2 231.246 1.106 20 0 BDADLO CCCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000646602430 388393443 /nfs/dbraw/zinc/39/34/43/388393443.db2.gz MRXPYNOBWKUIDD-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229571636 388393794 /nfs/dbraw/zinc/39/37/94/388393794.db2.gz JOLZONCDMYMVNR-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229571636 388393797 /nfs/dbraw/zinc/39/37/97/388393797.db2.gz JOLZONCDMYMVNR-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO COc1nccc(CNc2ccc(C)[nH+]c2)n1 ZINC000294944523 388406548 /nfs/dbraw/zinc/40/65/48/388406548.db2.gz BWELJYOKVDOQNG-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)c[nH+]1 ZINC000237858901 388399724 /nfs/dbraw/zinc/39/97/24/388399724.db2.gz ALTXYUSDRMGVQU-LURJTMIESA-N 1 2 246.097 1.796 20 0 BDADLO C/C=C(/C=C\C(=O)NCCn1cc[nH+]c1)CC ZINC000492116489 388335681 /nfs/dbraw/zinc/33/56/81/388335681.db2.gz VNWPHTMTAYPBNA-JQFMXUTPSA-N 1 2 233.315 1.912 20 0 BDADLO C/C=C(/C=C/C(=O)NCc1[nH+]ccn1C)CC ZINC000492157066 388336893 /nfs/dbraw/zinc/33/68/93/388336893.db2.gz KDPUINPLQIESIR-HNGDNPSASA-N 1 2 233.315 1.949 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCCCOC ZINC000492280349 388340263 /nfs/dbraw/zinc/34/02/63/388340263.db2.gz WGMHTFYBOHBZCG-WAYWQWQTSA-N 1 2 237.303 1.069 20 0 BDADLO C[N@H+](CCCO)Cc1nccn1C(F)F ZINC000298731377 388440619 /nfs/dbraw/zinc/44/06/19/388440619.db2.gz TXYDQBPTPOVITE-UHFFFAOYSA-N 1 2 219.235 1.092 20 0 BDADLO C[N@@H+](CCCO)Cc1nccn1C(F)F ZINC000298731377 388440623 /nfs/dbraw/zinc/44/06/23/388440623.db2.gz TXYDQBPTPOVITE-UHFFFAOYSA-N 1 2 219.235 1.092 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(Cl)nc2)n1 ZINC000290195900 388441306 /nfs/dbraw/zinc/44/13/06/388441306.db2.gz UDTSDMGIRPQAEU-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO FC1(C[NH+]2CCN(c3cccnn3)CC2)CC1 ZINC000525978710 388442164 /nfs/dbraw/zinc/44/21/64/388442164.db2.gz WZZUIKXOLCFSFU-UHFFFAOYSA-N 1 2 236.294 1.101 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000526003357 388453437 /nfs/dbraw/zinc/45/34/37/388453437.db2.gz PMPMOWFXJTXFDH-NXEZZACHSA-N 1 2 249.314 1.074 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC=CCC1 ZINC000649215812 388459587 /nfs/dbraw/zinc/45/95/87/388459587.db2.gz HKTZMAXPTZLANA-LLVKDONJSA-N 1 2 231.299 1.234 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H](F)C1 ZINC000516184071 388471396 /nfs/dbraw/zinc/47/13/96/388471396.db2.gz HUUQZWKYKTZQMT-ZJUUUORDSA-N 1 2 239.294 1.739 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H](F)C1 ZINC000516184071 388471400 /nfs/dbraw/zinc/47/14/00/388471400.db2.gz HUUQZWKYKTZQMT-ZJUUUORDSA-N 1 2 239.294 1.739 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccncc1 ZINC000649267261 388476889 /nfs/dbraw/zinc/47/68/89/388476889.db2.gz HPFMBEBTPFZDHZ-GRYCIOLGSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccncc1 ZINC000649267261 388476890 /nfs/dbraw/zinc/47/68/90/388476890.db2.gz HPFMBEBTPFZDHZ-GRYCIOLGSA-N 1 2 247.342 1.521 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC1CCCCC1 ZINC000573020676 388408207 /nfs/dbraw/zinc/40/82/07/388408207.db2.gz SNAJQPYIZVHPHR-UHFFFAOYSA-N 1 2 246.318 1.520 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc[nH]n2)sn1 ZINC000404451679 388420841 /nfs/dbraw/zinc/42/08/41/388420841.db2.gz GXZHPIUXTURUDW-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO CC[C@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000166856075 388432939 /nfs/dbraw/zinc/43/29/39/388432939.db2.gz ZWDGOSOLAJQOJZ-QMMMGPOBSA-N 1 2 222.292 1.304 20 0 BDADLO CC[C@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000166856075 388432940 /nfs/dbraw/zinc/43/29/40/388432940.db2.gz ZWDGOSOLAJQOJZ-QMMMGPOBSA-N 1 2 222.292 1.304 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308426313 388438550 /nfs/dbraw/zinc/43/85/50/388438550.db2.gz SKRXNNFTVRWUFT-NXEZZACHSA-N 1 2 227.304 1.097 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCC12CC2 ZINC000528518772 388540630 /nfs/dbraw/zinc/54/06/30/388540630.db2.gz RVJAMYZJMNGPGO-SNVBAGLBSA-N 1 2 233.315 1.649 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000528529703 388544275 /nfs/dbraw/zinc/54/42/75/388544275.db2.gz ZYVVRJSIIOABCB-WXLQGSQKSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000528529703 388544276 /nfs/dbraw/zinc/54/42/76/388544276.db2.gz ZYVVRJSIIOABCB-WXLQGSQKSA-N 1 2 233.739 1.601 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC(C2CC2)CC1 ZINC000646761002 388484943 /nfs/dbraw/zinc/48/49/43/388484943.db2.gz BERPOSROHDXQFQ-UHFFFAOYSA-N 1 2 247.342 1.611 20 0 BDADLO C[N@H+](CCC1CC1)Cc1nnnn1C1CC1 ZINC000135248051 388486805 /nfs/dbraw/zinc/48/68/05/388486805.db2.gz CAGNTLYFOQDRQS-UHFFFAOYSA-N 1 2 221.308 1.240 20 0 BDADLO C[N@@H+](CCC1CC1)Cc1nnnn1C1CC1 ZINC000135248051 388486808 /nfs/dbraw/zinc/48/68/08/388486808.db2.gz CAGNTLYFOQDRQS-UHFFFAOYSA-N 1 2 221.308 1.240 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000244180874 388488928 /nfs/dbraw/zinc/48/89/28/388488928.db2.gz VJAVFSHQUDKIOR-UHFFFAOYSA-N 1 2 224.260 1.164 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)on1 ZINC000517387557 388548964 /nfs/dbraw/zinc/54/89/64/388548964.db2.gz KCGFPPXPUGSYEW-LLVKDONJSA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)on1 ZINC000517387557 388548968 /nfs/dbraw/zinc/54/89/68/388548968.db2.gz KCGFPPXPUGSYEW-LLVKDONJSA-N 1 2 238.287 1.080 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)OC)C[C@@H]1OC ZINC000178365425 388499523 /nfs/dbraw/zinc/49/95/23/388499523.db2.gz AVKFSPJIJBNPQF-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2cscn2)C1 ZINC000646784329 388501617 /nfs/dbraw/zinc/50/16/17/388501617.db2.gz TWLDXCKNRZQDPY-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135600070 388502308 /nfs/dbraw/zinc/50/23/08/388502308.db2.gz CUWCZILQSUUVSA-ZDUSSCGKSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135600070 388502310 /nfs/dbraw/zinc/50/23/10/388502310.db2.gz CUWCZILQSUUVSA-ZDUSSCGKSA-N 1 2 242.363 1.404 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(C)CCCC1 ZINC000548132113 388515622 /nfs/dbraw/zinc/51/56/22/388515622.db2.gz IMQYAYOWQAWNBG-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000516861236 388520610 /nfs/dbraw/zinc/52/06/10/388520610.db2.gz CPCDAJXHDSDBES-MCIONIFRSA-N 1 2 239.407 1.578 20 0 BDADLO C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000516861238 388520770 /nfs/dbraw/zinc/52/07/70/388520770.db2.gz CPCDAJXHDSDBES-RDBSUJKOSA-N 1 2 239.407 1.578 20 0 BDADLO CCC[C@@H](CNc1ccc(CO)c[nH+]1)OC ZINC000378857046 388521574 /nfs/dbraw/zinc/52/15/74/388521574.db2.gz YRRRKOMBJIRYAT-NSHDSACASA-N 1 2 224.304 1.801 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)s2)C[C@@H]1O ZINC000528433074 388525325 /nfs/dbraw/zinc/52/53/25/388525325.db2.gz XFCDFCZPFHGMHG-CBAPKCEASA-N 1 2 239.344 1.228 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)s2)C[C@@H]1O ZINC000528433074 388525327 /nfs/dbraw/zinc/52/53/27/388525327.db2.gz XFCDFCZPFHGMHG-CBAPKCEASA-N 1 2 239.344 1.228 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)C3(CC3)C2)[nH+]1 ZINC000548286073 388526178 /nfs/dbraw/zinc/52/61/78/388526178.db2.gz FOKXWKYSQYSLIE-JTQLQIEISA-N 1 2 244.298 1.227 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC1CC1 ZINC000136261018 388529130 /nfs/dbraw/zinc/52/91/30/388529130.db2.gz XPTGWRCNJZZXJA-AATRIKPKSA-N 1 2 219.288 1.442 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000528477314 388532960 /nfs/dbraw/zinc/53/29/60/388532960.db2.gz QECWGSYSZHWPCC-UWOJTPNASA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000528477314 388532961 /nfs/dbraw/zinc/53/29/61/388532961.db2.gz QECWGSYSZHWPCC-UWOJTPNASA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000528480415 388532984 /nfs/dbraw/zinc/53/29/84/388532984.db2.gz ZPOBCXPAAVFVGN-DZIBPDRJSA-N 1 2 235.780 1.970 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000528480415 388532985 /nfs/dbraw/zinc/53/29/85/388532985.db2.gz ZPOBCXPAAVFVGN-DZIBPDRJSA-N 1 2 235.780 1.970 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351838236 388534573 /nfs/dbraw/zinc/53/45/73/388534573.db2.gz YINAUPGPPFJLQJ-DTWKUNHWSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351838236 388534577 /nfs/dbraw/zinc/53/45/77/388534577.db2.gz YINAUPGPPFJLQJ-DTWKUNHWSA-N 1 2 225.292 1.006 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000138382865 388597033 /nfs/dbraw/zinc/59/70/33/388597033.db2.gz VWGMCMNHKKOIFN-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)N(C)C1CC1 ZINC000138382865 388597035 /nfs/dbraw/zinc/59/70/35/388597035.db2.gz VWGMCMNHKKOIFN-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO CC(C)OCC[N@@H+]1Cc2cccnc2C1 ZINC000550659155 388612019 /nfs/dbraw/zinc/61/20/19/388612019.db2.gz KCFWXOVGZNQNJD-UHFFFAOYSA-N 1 2 206.289 1.822 20 0 BDADLO CC(C)OCC[N@H+]1Cc2cccnc2C1 ZINC000550659155 388612021 /nfs/dbraw/zinc/61/20/21/388612021.db2.gz KCFWXOVGZNQNJD-UHFFFAOYSA-N 1 2 206.289 1.822 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1cncc(F)c1 ZINC000358999191 388555924 /nfs/dbraw/zinc/55/59/24/388555924.db2.gz YHQWBGDIKHPNNC-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000528724514 388562284 /nfs/dbraw/zinc/56/22/84/388562284.db2.gz XYHQCFDEXFNSFA-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000528724514 388562288 /nfs/dbraw/zinc/56/22/88/388562288.db2.gz XYHQCFDEXFNSFA-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000528720966 388562560 /nfs/dbraw/zinc/56/25/60/388562560.db2.gz NLLQFYUNMKJHSA-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000528720966 388562563 /nfs/dbraw/zinc/56/25/63/388562563.db2.gz NLLQFYUNMKJHSA-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000528731012 388563637 /nfs/dbraw/zinc/56/36/37/388563637.db2.gz ILQMQZNMUYJOSJ-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000528731012 388563638 /nfs/dbraw/zinc/56/36/38/388563638.db2.gz ILQMQZNMUYJOSJ-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@@H]2CCCCO2)C1 ZINC000521268740 388567041 /nfs/dbraw/zinc/56/70/41/388567041.db2.gz LUXOPRYEBZGYBU-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cnon1 ZINC000528766409 388570412 /nfs/dbraw/zinc/57/04/12/388570412.db2.gz FGIQJRMGLZJDTO-ZETCQYMHSA-N 1 2 217.219 1.689 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cnon1 ZINC000528766409 388570413 /nfs/dbraw/zinc/57/04/13/388570413.db2.gz FGIQJRMGLZJDTO-ZETCQYMHSA-N 1 2 217.219 1.689 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779904 388572380 /nfs/dbraw/zinc/57/23/80/388572380.db2.gz HJZBNVPKEVACSL-MXWKQRLJSA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779904 388572383 /nfs/dbraw/zinc/57/23/83/388572383.db2.gz HJZBNVPKEVACSL-MXWKQRLJSA-N 1 2 249.351 1.386 20 0 BDADLO COC(=O)c1csc(C[NH+]2CCCCC2)n1 ZINC000328342386 388616328 /nfs/dbraw/zinc/61/63/28/388616328.db2.gz LGLAGVCZSXPNHM-UHFFFAOYSA-N 1 2 240.328 1.916 20 0 BDADLO C[C@H]([NH2+]CC(=O)N1CCC1)c1ncccc1F ZINC000528825964 388576574 /nfs/dbraw/zinc/57/65/74/388576574.db2.gz SBCLXYOTTKRQDE-VIFPVBQESA-N 1 2 237.278 1.104 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+](C)Cc1cnccn1 ZINC000184604625 388579347 /nfs/dbraw/zinc/57/93/47/388579347.db2.gz WKAAHDDRCSAEMK-JTQLQIEISA-N 1 2 229.287 1.460 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1cnccn1 ZINC000184604625 388579350 /nfs/dbraw/zinc/57/93/50/388579350.db2.gz WKAAHDDRCSAEMK-JTQLQIEISA-N 1 2 229.287 1.460 20 0 BDADLO COC[C@H](C)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494368 388669672 /nfs/dbraw/zinc/66/96/72/388669672.db2.gz XILGHIVQQPPKJO-NXEZZACHSA-N 1 2 231.336 1.589 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000522058850 388677421 /nfs/dbraw/zinc/67/74/21/388677421.db2.gz GEQBOZIMJQTJLB-QWRGUYRKSA-N 1 2 233.315 1.674 20 0 BDADLO CCc1cnc(C[N@H+](C)C2(CO)CC2)o1 ZINC000552183219 388678019 /nfs/dbraw/zinc/67/80/19/388678019.db2.gz INUYXKGJNLYHFX-UHFFFAOYSA-N 1 2 210.277 1.194 20 0 BDADLO CCc1cnc(C[N@@H+](C)C2(CO)CC2)o1 ZINC000552183219 388678020 /nfs/dbraw/zinc/67/80/20/388678020.db2.gz INUYXKGJNLYHFX-UHFFFAOYSA-N 1 2 210.277 1.194 20 0 BDADLO O=C1C[N@H+](Cc2cccnc2)[C@@H]2CCCC[C@@H]2N1 ZINC000246506422 388640620 /nfs/dbraw/zinc/64/06/20/388640620.db2.gz HVEVPGFPYWKUJJ-QWHCGFSZSA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2cccnc2)[C@@H]2CCCC[C@@H]2N1 ZINC000246506422 388640621 /nfs/dbraw/zinc/64/06/21/388640621.db2.gz HVEVPGFPYWKUJJ-QWHCGFSZSA-N 1 2 245.326 1.325 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000248626801 388686780 /nfs/dbraw/zinc/68/67/80/388686780.db2.gz PWUXVIXYPAQAKG-VXNVDRBHSA-N 1 2 249.236 1.393 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000248626801 388686782 /nfs/dbraw/zinc/68/67/82/388686782.db2.gz PWUXVIXYPAQAKG-VXNVDRBHSA-N 1 2 249.236 1.393 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1n[nH]cc1C1CC1 ZINC000648974978 388658367 /nfs/dbraw/zinc/65/83/67/388658367.db2.gz OKRVZOCWWQXFDJ-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)OC)C[C@@H](C)O1 ZINC000247372964 388662707 /nfs/dbraw/zinc/66/27/07/388662707.db2.gz FICZWOHJPZUVRR-KXUCPTDWSA-N 1 2 215.293 1.047 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)OC)C[C@@H](C)O1 ZINC000247372964 388662708 /nfs/dbraw/zinc/66/27/08/388662708.db2.gz FICZWOHJPZUVRR-KXUCPTDWSA-N 1 2 215.293 1.047 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000128042280 388736679 /nfs/dbraw/zinc/73/66/79/388736679.db2.gz JLRGKTBNENUIIK-JTQLQIEISA-N 1 2 239.306 1.748 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000128042280 388736681 /nfs/dbraw/zinc/73/66/81/388736681.db2.gz JLRGKTBNENUIIK-JTQLQIEISA-N 1 2 239.306 1.748 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCCC1 ZINC000128207571 388740770 /nfs/dbraw/zinc/74/07/70/388740770.db2.gz DJGRCIODYQXMDT-LLVKDONJSA-N 1 2 236.315 1.895 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000128207571 388740771 /nfs/dbraw/zinc/74/07/71/388740771.db2.gz DJGRCIODYQXMDT-LLVKDONJSA-N 1 2 236.315 1.895 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOCC12CCC2 ZINC000128225761 388740823 /nfs/dbraw/zinc/74/08/23/388740823.db2.gz CXQUZPUUIBHKSM-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1nccc1C[N@H+]1CCOCC12CCC2 ZINC000128225761 388740825 /nfs/dbraw/zinc/74/08/25/388740825.db2.gz CXQUZPUUIBHKSM-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H](C)O1 ZINC000251549954 388749460 /nfs/dbraw/zinc/74/94/60/388749460.db2.gz FAFKBPJCIBPKET-AAEUAGOBSA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H](C)O1 ZINC000251549954 388749464 /nfs/dbraw/zinc/74/94/64/388749464.db2.gz FAFKBPJCIBPKET-AAEUAGOBSA-N 1 2 236.315 1.317 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)OCC1CC1 ZINC000192846546 388687359 /nfs/dbraw/zinc/68/73/59/388687359.db2.gz ANAGBSWKYDBFBT-UHFFFAOYSA-N 1 2 223.276 1.409 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000249265593 388714342 /nfs/dbraw/zinc/71/43/42/388714342.db2.gz IVPZPMACDJMNAG-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000249265593 388714343 /nfs/dbraw/zinc/71/43/43/388714343.db2.gz IVPZPMACDJMNAG-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@@H]1CC[N@@H+]2[C@H](C1)C(=O)NC21CCSCC1 ZINC000249467579 388723252 /nfs/dbraw/zinc/72/32/52/388723252.db2.gz QTKXJTRGZMNVHM-NXEZZACHSA-N 1 2 240.372 1.440 20 0 BDADLO C[C@@H]1CC[N@H+]2[C@H](C1)C(=O)NC21CCSCC1 ZINC000249467579 388723255 /nfs/dbraw/zinc/72/32/55/388723255.db2.gz QTKXJTRGZMNVHM-NXEZZACHSA-N 1 2 240.372 1.440 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000127689259 388730229 /nfs/dbraw/zinc/73/02/29/388730229.db2.gz UVKHMKAIAQWRDS-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO C[C@H]1C[N@H+](CCOCC(F)(F)F)[C@@H](C)CO1 ZINC000249773090 388733298 /nfs/dbraw/zinc/73/32/98/388733298.db2.gz UICXUWAWLWKFDZ-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC(F)(F)F)[C@@H](C)CO1 ZINC000249773090 388733300 /nfs/dbraw/zinc/73/33/00/388733300.db2.gz UICXUWAWLWKFDZ-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC=CCC1 ZINC000554404921 388813697 /nfs/dbraw/zinc/81/36/97/388813697.db2.gz LAMINSAMRBPEQL-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)cn1 ZINC000554318084 388808938 /nfs/dbraw/zinc/80/89/38/388808938.db2.gz RRYNIHLTIATVIK-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000554318084 388808941 /nfs/dbraw/zinc/80/89/41/388808941.db2.gz RRYNIHLTIATVIK-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO Cc1nc(N[C@]2(C)CCO[C@@H]2C)cc[nH+]1 ZINC000230099562 388814187 /nfs/dbraw/zinc/81/41/87/388814187.db2.gz CWIOOAVWWXTFMN-LDYMZIIASA-N 1 2 207.277 1.764 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000564221237 388770168 /nfs/dbraw/zinc/77/01/68/388770168.db2.gz BFBQEZLHZRKTSR-LLVKDONJSA-N 1 2 248.326 1.602 20 0 BDADLO C[C@@H](O)CCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000564221237 388770171 /nfs/dbraw/zinc/77/01/71/388770171.db2.gz BFBQEZLHZRKTSR-LLVKDONJSA-N 1 2 248.326 1.602 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(C1CCC1)C1CCC1 ZINC000553843834 388791286 /nfs/dbraw/zinc/79/12/86/388791286.db2.gz BQADFRGLQJABTO-UHFFFAOYSA-N 1 2 233.315 1.817 20 0 BDADLO CN(C)C(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000554944362 388836245 /nfs/dbraw/zinc/83/62/45/388836245.db2.gz NTRWRMGOFOLZCQ-UHFFFAOYSA-N 1 2 245.282 1.339 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000555063889 388837970 /nfs/dbraw/zinc/83/79/70/388837970.db2.gz BYWUCIXKUGGDKS-BBBLOLIVSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000555063889 388837972 /nfs/dbraw/zinc/83/79/72/388837972.db2.gz BYWUCIXKUGGDKS-BBBLOLIVSA-N 1 2 233.315 1.429 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1CC=CC1 ZINC000541551828 388856105 /nfs/dbraw/zinc/85/61/05/388856105.db2.gz QYQPUGANROOMTE-UHFFFAOYSA-N 1 2 219.288 1.045 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cc(F)ccc1O ZINC000147665018 388857928 /nfs/dbraw/zinc/85/79/28/388857928.db2.gz MEWFTWYFKFTUNC-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523783212 388859843 /nfs/dbraw/zinc/85/98/43/388859843.db2.gz ALAKXUIPPXBYOL-UHFFFAOYSA-N 1 2 245.286 1.144 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000555926202 388863345 /nfs/dbraw/zinc/86/33/45/388863345.db2.gz CEYRECZBMGWLIB-NWDGAFQWSA-N 1 2 233.327 1.860 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000555926202 388863348 /nfs/dbraw/zinc/86/33/48/388863348.db2.gz CEYRECZBMGWLIB-NWDGAFQWSA-N 1 2 233.327 1.860 20 0 BDADLO CC[C@@H]([NH2+]Cc1nccn1C)c1ccn(C)n1 ZINC000541742285 388866075 /nfs/dbraw/zinc/86/60/75/388866075.db2.gz SROPRXKCSBXJTL-SNVBAGLBSA-N 1 2 233.319 1.395 20 0 BDADLO CC[C@@H](NCc1[nH+]ccn1C)c1ccn(C)n1 ZINC000541742285 388866078 /nfs/dbraw/zinc/86/60/78/388866078.db2.gz SROPRXKCSBXJTL-SNVBAGLBSA-N 1 2 233.319 1.395 20 0 BDADLO Cc1ncccc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000093642754 388846901 /nfs/dbraw/zinc/84/69/01/388846901.db2.gz FRDUUPCMDRFXHX-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000093642754 388846905 /nfs/dbraw/zinc/84/69/05/388846905.db2.gz FRDUUPCMDRFXHX-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649169733 388887594 /nfs/dbraw/zinc/88/75/94/388887594.db2.gz VSWYPMUYJBLYFT-GMTAPVOTSA-N 1 2 219.288 1.188 20 0 BDADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)(C)C ZINC000564797883 388889893 /nfs/dbraw/zinc/88/98/93/388889893.db2.gz WTSLNGGNHICWFS-UHFFFAOYSA-N 1 2 234.303 1.253 20 0 BDADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)(C)C ZINC000564797883 388889896 /nfs/dbraw/zinc/88/98/96/388889896.db2.gz WTSLNGGNHICWFS-UHFFFAOYSA-N 1 2 234.303 1.253 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCS[C@H]1C ZINC000649173125 388890058 /nfs/dbraw/zinc/89/00/58/388890058.db2.gz OLWYVGMAIHTGNE-IUCAKERBSA-N 1 2 239.344 1.271 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCS[C@H]1C ZINC000649173125 388890061 /nfs/dbraw/zinc/89/00/61/388890061.db2.gz OLWYVGMAIHTGNE-IUCAKERBSA-N 1 2 239.344 1.271 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCS[C@@H]2C)c[nH+]1 ZINC000649174503 388891201 /nfs/dbraw/zinc/89/12/01/388891201.db2.gz IEECUDVBBPMMNS-HTRCEHHLSA-N 1 2 225.317 1.342 20 0 BDADLO Cc1c(NC(=O)C[NH+]2CC(C)(C)C2)cnn1C ZINC000565184993 388923463 /nfs/dbraw/zinc/92/34/63/388923463.db2.gz GCJNHLJJGGONLX-UHFFFAOYSA-N 1 2 236.319 1.009 20 0 BDADLO CCc1nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)co1 ZINC000565214737 388927434 /nfs/dbraw/zinc/92/74/34/388927434.db2.gz RZVYTXSNVLYSIU-SSDOTTSWSA-N 1 2 234.259 1.451 20 0 BDADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000153049895 388933081 /nfs/dbraw/zinc/93/30/81/388933081.db2.gz MCCCCMQWCNWBQO-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO CC1(C)CN(c2cccc[nH+]2)CC[C@@H]1O ZINC000275480307 132205240 /nfs/dbraw/zinc/20/52/40/132205240.db2.gz PMEPFSJWIQVPMY-JTQLQIEISA-N 1 2 206.289 1.679 20 0 BDADLO Cc1ccc[nH+]c1CCNc1nnc(C)c(C)n1 ZINC000404829759 388981653 /nfs/dbraw/zinc/98/16/53/388981653.db2.gz HMWGWGOHVBXXSO-UHFFFAOYSA-N 1 2 243.314 1.268 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@]1(C)CCO[C@@H]1C ZINC000336592492 177651062 /nfs/dbraw/zinc/65/10/62/177651062.db2.gz BJUAGXSVYHJNAN-MFKMUULPSA-N 1 2 249.314 1.501 20 0 BDADLO C[C@H](O)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000264761415 388992780 /nfs/dbraw/zinc/99/27/80/388992780.db2.gz XYZXDYRWEZDRQV-VIFPVBQESA-N 1 2 209.293 1.003 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)Cc1cc[nH]n1 ZINC000336588171 177647840 /nfs/dbraw/zinc/64/78/40/177647840.db2.gz HGIJMRWKKMFAHS-UHFFFAOYSA-N 1 2 245.286 1.199 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C=CCCC1 ZINC000565806083 388970624 /nfs/dbraw/zinc/97/06/24/388970624.db2.gz DRLBXMVOUPSPLD-SNVBAGLBSA-N 1 2 234.303 1.328 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)COC(C)(C)C ZINC000272309989 389032168 /nfs/dbraw/zinc/03/21/68/389032168.db2.gz HYVKPHJJDNTBDD-UHFFFAOYSA-N 1 2 225.292 1.149 20 0 BDADLO COc1ncccc1CN1CCn2cc[nH+]c2C1 ZINC000487921104 533258226 /nfs/dbraw/zinc/25/82/26/533258226.db2.gz VLMUUUHUEHIIMY-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CO[C@@H]1C[NH+](Cc2ncc(C)s2)C[C@H]1OC ZINC000488018597 533480426 /nfs/dbraw/zinc/48/04/26/533480426.db2.gz UCLACFYMWDHAQR-NXEZZACHSA-N 1 2 242.344 1.297 20 0 BDADLO COC(=O)C[N@H+](C/C=C/c1ccncc1)C(C)C ZINC000495078302 533481190 /nfs/dbraw/zinc/48/11/90/533481190.db2.gz IVNDAPLIMHQVTF-SNAWJCMRSA-N 1 2 248.326 1.978 20 0 BDADLO COC(=O)C[N@@H+](C/C=C/c1ccncc1)C(C)C ZINC000495078302 533481204 /nfs/dbraw/zinc/48/12/04/533481204.db2.gz IVNDAPLIMHQVTF-SNAWJCMRSA-N 1 2 248.326 1.978 20 0 BDADLO Cc1cc(N2CCOCC2)nc(C2CC2)[nH+]1 ZINC000264648010 132179072 /nfs/dbraw/zinc/17/90/72/132179072.db2.gz OCTAWRVBPKAKEY-UHFFFAOYSA-N 1 2 219.288 1.499 20 0 BDADLO OCCO[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000265265273 132182216 /nfs/dbraw/zinc/18/22/16/132182216.db2.gz ZASBHQQWOLWLFM-NSHDSACASA-N 1 2 222.288 1.059 20 0 BDADLO Cc1nc(N2CCOC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000268029091 132191006 /nfs/dbraw/zinc/19/10/06/132191006.db2.gz YITMPHBZVDMRIH-SNVBAGLBSA-N 1 2 247.342 1.889 20 0 BDADLO Cc1nc(N2CCO[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC000267964273 132191158 /nfs/dbraw/zinc/19/11/58/132191158.db2.gz MGBLXZKFXHKLBR-SNVBAGLBSA-N 1 2 247.342 1.889 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCC1=O ZINC000275361123 132204859 /nfs/dbraw/zinc/20/48/59/132204859.db2.gz LMFBDBUZZPOWOZ-SECBINFHSA-N 1 2 231.299 1.769 20 0 BDADLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)C1CC1 ZINC000277613881 132207405 /nfs/dbraw/zinc/20/74/05/132207405.db2.gz VZHFAFDDRDQXLA-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)C1CC1 ZINC000277613881 132207407 /nfs/dbraw/zinc/20/74/07/132207407.db2.gz VZHFAFDDRDQXLA-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@@H](O)Cc2ccccc21 ZINC000278824616 132208251 /nfs/dbraw/zinc/20/82/51/132208251.db2.gz HSMFNQMBYJVSPF-LBPRGKRZSA-N 1 2 243.310 1.344 20 0 BDADLO CCc1nc(N2CCO[C@H](C)[C@@H]2C)cc(C)[nH+]1 ZINC000287672923 132216087 /nfs/dbraw/zinc/21/60/87/132216087.db2.gz BZZLUFVURCUXSV-WDEREUQCSA-N 1 2 235.331 1.961 20 0 BDADLO Fc1cccc(N2CCn3c[nH+]cc3C2)n1 ZINC000290619380 132217137 /nfs/dbraw/zinc/21/71/37/132217137.db2.gz GGLBNHPWQYVBPC-UHFFFAOYSA-N 1 2 218.235 1.437 20 0 BDADLO CC(=O)c1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC000290697592 132217389 /nfs/dbraw/zinc/21/73/89/132217389.db2.gz NBAFOLHPXXFJNB-UHFFFAOYSA-N 1 2 242.282 1.501 20 0 BDADLO C[C@H]1C[C@@H](O)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000292231312 132218841 /nfs/dbraw/zinc/21/88/41/132218841.db2.gz IXDOOYQQTRDIQG-ONGXEEELSA-N 1 2 233.315 1.704 20 0 BDADLO COC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000096497933 132241926 /nfs/dbraw/zinc/24/19/26/132241926.db2.gz RITASCSEKRCELI-SNVBAGLBSA-N 1 2 235.287 1.174 20 0 BDADLO NC(=O)CC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301167810 132251644 /nfs/dbraw/zinc/25/16/44/132251644.db2.gz VONXGXTZQIBFKO-NSHDSACASA-N 1 2 233.315 1.564 20 0 BDADLO Cc1nc(N2CCC[C@@H](n3cccn3)C2)cc[nH+]1 ZINC000360986781 132279377 /nfs/dbraw/zinc/27/93/77/132279377.db2.gz MIKWEBNXTFJTNS-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1ccnc(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000361376685 132280428 /nfs/dbraw/zinc/28/04/28/132280428.db2.gz HQRHBFGJYOANPP-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1ccnc(N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000361376685 132280431 /nfs/dbraw/zinc/28/04/31/132280431.db2.gz HQRHBFGJYOANPP-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1cnc(C)c(N2CCc3c([nH+]cn3C)C2)n1 ZINC000373413652 132286507 /nfs/dbraw/zinc/28/65/07/132286507.db2.gz SIDZERRKYNVYKU-UHFFFAOYSA-N 1 2 243.314 1.390 20 0 BDADLO CCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617059 132300024 /nfs/dbraw/zinc/30/00/24/132300024.db2.gz VANRXDPRTVCJHC-UHFFFAOYSA-N 1 2 233.315 1.577 20 0 BDADLO Cc1cc(C)n(CC[N@@H+]2CCOCC23CC3)n1 ZINC000334238871 133598097 /nfs/dbraw/zinc/59/80/97/133598097.db2.gz TYMIQPPHGQRKCB-UHFFFAOYSA-N 1 2 235.331 1.365 20 0 BDADLO Cc1cc(C)n(CC[N@H+]2CCOCC23CC3)n1 ZINC000334238871 133598098 /nfs/dbraw/zinc/59/80/98/133598098.db2.gz TYMIQPPHGQRKCB-UHFFFAOYSA-N 1 2 235.331 1.365 20 0 BDADLO OCC1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000345687573 133785196 /nfs/dbraw/zinc/78/51/96/133785196.db2.gz FMLSZEGWWVKISU-UHFFFAOYSA-N 1 2 247.342 1.739 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2cncc(F)c2)c[nH+]1 ZINC000335797386 133911092 /nfs/dbraw/zinc/91/10/92/133911092.db2.gz RKYWBRSKEOYSBQ-SSDOTTSWSA-N 1 2 248.261 1.743 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000351931591 134012095 /nfs/dbraw/zinc/01/20/95/134012095.db2.gz RRZRXIWZTZNWMQ-MWLCHTKSSA-N 1 2 249.314 1.543 20 0 BDADLO c1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n[nH]1 ZINC000335960138 134026668 /nfs/dbraw/zinc/02/66/68/134026668.db2.gz ATZSCDRPMNIBEA-CHWSQXEVSA-N 1 2 233.315 1.553 20 0 BDADLO c1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n[nH]1 ZINC000335960138 134026669 /nfs/dbraw/zinc/02/66/69/134026669.db2.gz ATZSCDRPMNIBEA-CHWSQXEVSA-N 1 2 233.315 1.553 20 0 BDADLO CC(C)=CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000335992194 134040835 /nfs/dbraw/zinc/04/08/35/134040835.db2.gz ZPJAJCGSHLRQCW-QWRGUYRKSA-N 1 2 215.362 1.794 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352026038 134042831 /nfs/dbraw/zinc/04/28/31/134042831.db2.gz CWSVZYVFLGBIPZ-SFYZADRCSA-N 1 2 245.277 1.248 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352026038 134042832 /nfs/dbraw/zinc/04/28/32/134042832.db2.gz CWSVZYVFLGBIPZ-SFYZADRCSA-N 1 2 245.277 1.248 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352026037 134042851 /nfs/dbraw/zinc/04/28/51/134042851.db2.gz CWSVZYVFLGBIPZ-JGVFFNPUSA-N 1 2 245.277 1.248 20 0 BDADLO Cc1ccc(CN2CCn3c[nH+]cc3C2)nc1 ZINC000336012164 134051612 /nfs/dbraw/zinc/05/16/12/134051612.db2.gz UZEZTMPZHCCFKC-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H](C2CC2)C1 ZINC000336019461 134053980 /nfs/dbraw/zinc/05/39/80/134053980.db2.gz JQONMDLJXAREOZ-NSHDSACASA-N 1 2 248.330 1.362 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352097293 134064017 /nfs/dbraw/zinc/06/40/17/134064017.db2.gz QVKOCZBQRDPXQW-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352097293 134064018 /nfs/dbraw/zinc/06/40/18/134064018.db2.gz QVKOCZBQRDPXQW-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000336054178 134065365 /nfs/dbraw/zinc/06/53/65/134065365.db2.gz LXAPTQAZXRRCJL-SNVBAGLBSA-N 1 2 233.315 1.916 20 0 BDADLO CC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000336054177 134065382 /nfs/dbraw/zinc/06/53/82/134065382.db2.gz LXAPTQAZXRRCJL-JTQLQIEISA-N 1 2 233.315 1.916 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)[nH]2)CCS1 ZINC000336110887 134086575 /nfs/dbraw/zinc/08/65/75/134086575.db2.gz OSKBPVIUPNFSGD-VIFPVBQESA-N 1 2 226.349 1.441 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)CCS1 ZINC000336110887 134086576 /nfs/dbraw/zinc/08/65/76/134086576.db2.gz OSKBPVIUPNFSGD-VIFPVBQESA-N 1 2 226.349 1.441 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000336159168 134106936 /nfs/dbraw/zinc/10/69/36/134106936.db2.gz MWPHPWNBNRYRMU-LBPRGKRZSA-N 1 2 243.253 1.438 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000336159168 134106937 /nfs/dbraw/zinc/10/69/37/134106937.db2.gz MWPHPWNBNRYRMU-LBPRGKRZSA-N 1 2 243.253 1.438 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000336161315 134110948 /nfs/dbraw/zinc/11/09/48/134110948.db2.gz COFDYHIVXYSCJN-QWRGUYRKSA-N 1 2 243.253 1.436 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000336161315 134110949 /nfs/dbraw/zinc/11/09/49/134110949.db2.gz COFDYHIVXYSCJN-QWRGUYRKSA-N 1 2 243.253 1.436 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H](CO)C1 ZINC000336167067 134113657 /nfs/dbraw/zinc/11/36/57/134113657.db2.gz RPWBOLKOEYFKQP-SECBINFHSA-N 1 2 249.289 1.531 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCn2ncnc2C1 ZINC000352265863 134128851 /nfs/dbraw/zinc/12/88/51/134128851.db2.gz LAKIZEFSYXTFCR-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCn2ncnc2C1 ZINC000352265863 134128852 /nfs/dbraw/zinc/12/88/52/134128852.db2.gz LAKIZEFSYXTFCR-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO CO[C@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1(C)C ZINC000336209365 134133682 /nfs/dbraw/zinc/13/36/82/134133682.db2.gz WEHFHJWIQSCNDI-ZJUUUORDSA-N 1 2 237.303 1.261 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccncc2F)[C@@H]1C ZINC000336219937 134138819 /nfs/dbraw/zinc/13/88/19/134138819.db2.gz RIYVKMSSSHLRQY-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccncc2F)[C@@H]1C ZINC000336219937 134138820 /nfs/dbraw/zinc/13/88/20/134138820.db2.gz RIYVKMSSSHLRQY-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000168296226 134166748 /nfs/dbraw/zinc/16/67/48/134166748.db2.gz GBSYTRKAMGSYJR-BDAKNGLRSA-N 1 2 207.277 1.356 20 0 BDADLO COC(=O)C[C@@H](C)SCCCn1cc[nH+]c1 ZINC000085160695 134224384 /nfs/dbraw/zinc/22/43/84/134224384.db2.gz UGYTWCWQCARIMN-SNVBAGLBSA-N 1 2 242.344 1.958 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccc1F ZINC000168602818 134231053 /nfs/dbraw/zinc/23/10/53/134231053.db2.gz IGCMBWXHOYZTJU-CMPLNLGQSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccc1F ZINC000168602818 134231054 /nfs/dbraw/zinc/23/10/54/134231054.db2.gz IGCMBWXHOYZTJU-CMPLNLGQSA-N 1 2 239.290 1.407 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1cccc(O)c1 ZINC000168855699 134247486 /nfs/dbraw/zinc/24/74/86/134247486.db2.gz BPUAOKIDJWALFB-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cc1cc(NC[C@H](O)c2ccsc2)nc[nH+]1 ZINC000218923590 134269122 /nfs/dbraw/zinc/26/91/22/134269122.db2.gz YHLMXLLBIOJGTI-JTQLQIEISA-N 1 2 235.312 1.992 20 0 BDADLO O=C(CC1CCC1)NCCc1[nH]cc[nH+]1 ZINC000174758030 134283204 /nfs/dbraw/zinc/28/32/04/134283204.db2.gz HFMPLNJUKBLXAL-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]1C1CC1 ZINC000176045542 134290049 /nfs/dbraw/zinc/29/00/49/134290049.db2.gz DNMUVUNSXGWUDD-NXEZZACHSA-N 1 2 219.288 1.115 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000176454430 134291698 /nfs/dbraw/zinc/29/16/98/134291698.db2.gz AUBLQMRUWHMYAA-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000176454430 134291699 /nfs/dbraw/zinc/29/16/99/134291699.db2.gz AUBLQMRUWHMYAA-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO Cc1nc(N(C)C[C@@H](C)O)c(C)c(C)[nH+]1 ZINC000177818573 134300136 /nfs/dbraw/zinc/30/01/36/134300136.db2.gz PRFDCVMTPOJTRP-SSDOTTSWSA-N 1 2 209.293 1.219 20 0 BDADLO Cc1nc(N(C)CC(=O)NC2CC2)c(C)c(C)[nH+]1 ZINC000177807133 134300474 /nfs/dbraw/zinc/30/04/74/134300474.db2.gz MLCDBMOAVOISAN-UHFFFAOYSA-N 1 2 248.330 1.117 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000179868373 134324447 /nfs/dbraw/zinc/32/44/47/134324447.db2.gz DIMBQQNLEPJXDW-JTQLQIEISA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000179868373 134324448 /nfs/dbraw/zinc/32/44/48/134324448.db2.gz DIMBQQNLEPJXDW-JTQLQIEISA-N 1 2 206.289 1.611 20 0 BDADLO COC[C@H]([NH2+]Cc1noc(C(C)C)n1)C1CC1 ZINC000181560379 134338026 /nfs/dbraw/zinc/33/80/26/134338026.db2.gz KMJTYDUWCSMSND-JTQLQIEISA-N 1 2 239.319 1.708 20 0 BDADLO CC[C@H](C)C[N@H+](C)Cc1noc(COC)n1 ZINC000182474990 134345337 /nfs/dbraw/zinc/34/53/37/134345337.db2.gz LXNZYNRNGVBKQL-VIFPVBQESA-N 1 2 227.308 1.694 20 0 BDADLO CC[C@H](C)C[N@@H+](C)Cc1noc(COC)n1 ZINC000182474990 134345338 /nfs/dbraw/zinc/34/53/38/134345338.db2.gz LXNZYNRNGVBKQL-VIFPVBQESA-N 1 2 227.308 1.694 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccnc1 ZINC000182890636 134349478 /nfs/dbraw/zinc/34/94/78/134349478.db2.gz WOTBYJXMHRGIKT-SECBINFHSA-N 1 2 229.287 1.305 20 0 BDADLO Cn1cc(-c2cc(Cn3cc[nH+]c3)on2)cn1 ZINC000184029339 134356082 /nfs/dbraw/zinc/35/60/82/134356082.db2.gz YAEBVWDIRYYGQE-UHFFFAOYSA-N 1 2 229.243 1.320 20 0 BDADLO CCC[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000226234369 134362066 /nfs/dbraw/zinc/36/20/66/134362066.db2.gz FNNJXZDKRYBOBD-NSHDSACASA-N 1 2 209.293 1.748 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000226497289 134364040 /nfs/dbraw/zinc/36/40/40/134364040.db2.gz KDBWIMKSDKDTCM-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000226497289 134364041 /nfs/dbraw/zinc/36/40/41/134364041.db2.gz KDBWIMKSDKDTCM-GHMZBOCLSA-N 1 2 227.304 1.049 20 0 BDADLO CCc1nc(C[N@H+](C)CCCCCO)no1 ZINC000227114036 134372993 /nfs/dbraw/zinc/37/29/93/134372993.db2.gz NIMUIOUEBYKYSR-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCc1nc(C[N@@H+](C)CCCCCO)no1 ZINC000227114036 134372994 /nfs/dbraw/zinc/37/29/94/134372994.db2.gz NIMUIOUEBYKYSR-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H](CO)CC(C)C)[nH]1 ZINC000185328264 134380317 /nfs/dbraw/zinc/38/03/17/134380317.db2.gz SYVMUYOKIINRRE-JTQLQIEISA-N 1 2 240.351 1.206 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H](CO)CC(C)C)[nH]1 ZINC000185328264 134380318 /nfs/dbraw/zinc/38/03/18/134380318.db2.gz SYVMUYOKIINRRE-JTQLQIEISA-N 1 2 240.351 1.206 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185558940 134381491 /nfs/dbraw/zinc/38/14/91/134381491.db2.gz RQBJQAURVUGQCC-PWSUYJOCSA-N 1 2 249.310 1.704 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000227770811 134393609 /nfs/dbraw/zinc/39/36/09/134393609.db2.gz YAYNTGDYHGOBOM-SSDOTTSWSA-N 1 2 225.210 1.480 20 0 BDADLO CCCCCNC(=O)NCCCn1cc[nH+]c1 ZINC000047578261 134613141 /nfs/dbraw/zinc/61/31/41/134613141.db2.gz VRZDNAVFWYXOFS-UHFFFAOYSA-N 1 2 238.335 1.763 20 0 BDADLO CCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155750012 134697655 /nfs/dbraw/zinc/69/76/55/134697655.db2.gz IBYWBEAJLNSJSC-NSHDSACASA-N 1 2 235.331 1.752 20 0 BDADLO O=C(Cc1cccs1)NCc1[nH]cc[nH+]1 ZINC000070651444 135003374 /nfs/dbraw/zinc/00/33/74/135003374.db2.gz VKJNKWBSWGPGFG-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccn1C ZINC000070650748 135004077 /nfs/dbraw/zinc/00/40/77/135004077.db2.gz BMSSPKWUFUQPIP-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO Cc1ncsc1C[NH2+]Cc1ncc[nH]1 ZINC000070836988 135014002 /nfs/dbraw/zinc/01/40/02/135014002.db2.gz UXKGWHUALMZQSK-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1cc(N[C@@H](C)c2cn[nH]c2)nc[nH+]1 ZINC000229871972 135017869 /nfs/dbraw/zinc/01/78/69/135017869.db2.gz QWPACFDTSXXHQT-QMMMGPOBSA-N 1 2 203.249 1.681 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248713370 135019624 /nfs/dbraw/zinc/01/96/24/135019624.db2.gz DGTTZSOSBWWXKY-MWLCHTKSSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248713370 135019627 /nfs/dbraw/zinc/01/96/27/135019627.db2.gz DGTTZSOSBWWXKY-MWLCHTKSSA-N 1 2 211.261 1.034 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000248747837 135020889 /nfs/dbraw/zinc/02/08/89/135020889.db2.gz BIRSPEJGVIRJOR-WDEREUQCSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000248747837 135020892 /nfs/dbraw/zinc/02/08/92/135020892.db2.gz BIRSPEJGVIRJOR-WDEREUQCSA-N 1 2 221.304 1.593 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248997769 135029604 /nfs/dbraw/zinc/02/96/04/135029604.db2.gz PKCCFEOWXDHGMR-MVWJERBFSA-N 1 2 239.315 1.097 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cn[nH]c2C)CC[C@@H]1C ZINC000249188260 135036052 /nfs/dbraw/zinc/03/60/52/135036052.db2.gz OPQVPKFVCNNYAN-CABZTGNLSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cn[nH]c2C)CC[C@@H]1C ZINC000249188260 135036055 /nfs/dbraw/zinc/03/60/55/135036055.db2.gz OPQVPKFVCNNYAN-CABZTGNLSA-N 1 2 223.320 1.575 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249293823 135042345 /nfs/dbraw/zinc/04/23/45/135042345.db2.gz AISSPXHGGPMKMG-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249293823 135042346 /nfs/dbraw/zinc/04/23/46/135042346.db2.gz AISSPXHGGPMKMG-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250153274 135050352 /nfs/dbraw/zinc/05/03/52/135050352.db2.gz ZRSATRLNLJOMFD-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250153274 135050355 /nfs/dbraw/zinc/05/03/55/135050355.db2.gz ZRSATRLNLJOMFD-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@H](C)c2cccnc2)CCO1 ZINC000265992629 135146265 /nfs/dbraw/zinc/14/62/65/135146265.db2.gz KCCIRWYIFJOWHN-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H]1C[N@H+]([C@H](C)c2cccnc2)CCO1 ZINC000265992629 135146267 /nfs/dbraw/zinc/14/62/67/135146267.db2.gz KCCIRWYIFJOWHN-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO CCOC(=O)CCNc1cc[nH+]c(C(C)C)n1 ZINC000260053870 135147204 /nfs/dbraw/zinc/14/72/04/135147204.db2.gz ANYOKKWISQUQPI-UHFFFAOYSA-N 1 2 237.303 1.965 20 0 BDADLO CC1(C)CC[C@H](NCC(F)(F)C[NH3+])C1 ZINC000261529184 135155129 /nfs/dbraw/zinc/15/51/29/135155129.db2.gz PYLOPBPWHNEYDU-QMMMGPOBSA-N 1 2 206.280 1.749 20 0 BDADLO Cc1nc(C)c(NC(=O)[C@@H]2CSC[NH2+]2)s1 ZINC000261532326 135162208 /nfs/dbraw/zinc/16/22/08/135162208.db2.gz AETXGUFGSGUNPB-ZETCQYMHSA-N 1 2 243.357 1.361 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCCS1 ZINC000087681492 135164248 /nfs/dbraw/zinc/16/42/48/135164248.db2.gz LMPDHHMVHRYUGO-VIFPVBQESA-N 1 2 239.344 1.654 20 0 BDADLO CC1(C)CCCN(Cc2noc(C[NH3+])n2)CC1 ZINC000261541315 135181012 /nfs/dbraw/zinc/18/10/12/135181012.db2.gz JSHANVXVYVGCEG-UHFFFAOYSA-N 1 2 238.335 1.540 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000342389789 135269751 /nfs/dbraw/zinc/26/97/51/135269751.db2.gz PBOWVXUCGCQIEN-NTZNESFSSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC000342445338 135274648 /nfs/dbraw/zinc/27/46/48/135274648.db2.gz YMOVOBUCUSHQPZ-AOOOYVTPSA-N 1 2 205.261 1.153 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000366775924 135275396 /nfs/dbraw/zinc/27/53/96/135275396.db2.gz ZGKXERPLHOLKGO-NEPJUHHUSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000366775924 135275397 /nfs/dbraw/zinc/27/53/97/135275397.db2.gz ZGKXERPLHOLKGO-NEPJUHHUSA-N 1 2 236.290 1.974 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC000366777619 135279304 /nfs/dbraw/zinc/27/93/04/135279304.db2.gz JXCAEZCVTQZPHF-MNOVXSKESA-N 1 2 249.314 1.263 20 0 BDADLO CCc1nc(C[N@H+](C)CC[C@H]2CCCO2)no1 ZINC000342568299 135290125 /nfs/dbraw/zinc/29/01/25/135290125.db2.gz LENJPCUATFBWNJ-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@@H+](C)CC[C@H]2CCCO2)no1 ZINC000342568299 135290126 /nfs/dbraw/zinc/29/01/26/135290126.db2.gz LENJPCUATFBWNJ-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1[nH]c2ccc(Cn3cnccc3=O)cc2[nH+]1 ZINC000342683011 135304597 /nfs/dbraw/zinc/30/45/97/135304597.db2.gz YKGIKOZCAVJYTL-UHFFFAOYSA-N 1 2 240.266 1.476 20 0 BDADLO Cc1[nH]c2cc(Cn3cnccc3=O)ccc2[nH+]1 ZINC000342683011 135304599 /nfs/dbraw/zinc/30/45/99/135304599.db2.gz YKGIKOZCAVJYTL-UHFFFAOYSA-N 1 2 240.266 1.476 20 0 BDADLO CO[C@H]1CCCN(Cc2[nH+]cc(C)n2C)C1 ZINC000342790694 135318378 /nfs/dbraw/zinc/31/83/78/135318378.db2.gz AVMVDPNCGNDEJQ-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCO[C@@H](C)C2)n1C ZINC000342789830 135318504 /nfs/dbraw/zinc/31/85/04/135318504.db2.gz YGPSAFJILPNDHV-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@H+]2CCCO[C@@H](C)C2)n1C ZINC000342789830 135318506 /nfs/dbraw/zinc/31/85/06/135318506.db2.gz YGPSAFJILPNDHV-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN2CCCO[C@@H](C)C2)n1C ZINC000342789830 135318507 /nfs/dbraw/zinc/31/85/07/135318507.db2.gz YGPSAFJILPNDHV-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@@H](C)O ZINC000342799145 135320661 /nfs/dbraw/zinc/32/06/61/135320661.db2.gz HNZZYXGMMSUDBE-GMTAPVOTSA-N 1 2 245.363 1.713 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000262919783 135324219 /nfs/dbraw/zinc/32/42/19/135324219.db2.gz GSFHXFWFCCYCBU-LURJTMIESA-N 1 2 247.270 1.387 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cncs1 ZINC000334168254 135324641 /nfs/dbraw/zinc/32/46/41/135324641.db2.gz AWVRYLVCGBYGCW-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cncs1 ZINC000334168254 135324643 /nfs/dbraw/zinc/32/46/43/135324643.db2.gz AWVRYLVCGBYGCW-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263006760 135326489 /nfs/dbraw/zinc/32/64/89/135326489.db2.gz PJFSMUCBIAUPIV-OPRDCNLKSA-N 1 2 246.301 1.488 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263012184 135326906 /nfs/dbraw/zinc/32/69/06/135326906.db2.gz PWRFWORXHHNSNH-UWVGGRQHSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000334223835 135328755 /nfs/dbraw/zinc/32/87/55/135328755.db2.gz CUGMUMVABYQRPJ-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ccncc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000334223835 135328758 /nfs/dbraw/zinc/32/87/58/135328758.db2.gz CUGMUMVABYQRPJ-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC1CCC1 ZINC000079562513 135330681 /nfs/dbraw/zinc/33/06/81/135330681.db2.gz YRTAWTJXBGOLTG-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nc(N2CCC[C@@H](F)C2)nc(N(C)C)[nH+]1 ZINC000343036068 135351473 /nfs/dbraw/zinc/35/14/73/135351473.db2.gz YTXCSKSBPHTFPQ-SECBINFHSA-N 1 2 239.298 1.184 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H](F)C2)[nH+]1 ZINC000343036068 135351475 /nfs/dbraw/zinc/35/14/75/135351475.db2.gz YTXCSKSBPHTFPQ-SECBINFHSA-N 1 2 239.298 1.184 20 0 BDADLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000343136713 135359626 /nfs/dbraw/zinc/35/96/26/135359626.db2.gz LURDPKPVHKTJJN-CMPLNLGQSA-N 1 2 249.314 1.005 20 0 BDADLO COc1cc[nH+]c(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000264468364 135362059 /nfs/dbraw/zinc/36/20/59/135362059.db2.gz XCUOHYOUYQZZQA-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000264468364 135362061 /nfs/dbraw/zinc/36/20/61/135362061.db2.gz XCUOHYOUYQZZQA-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000264468364 135362063 /nfs/dbraw/zinc/36/20/63/135362063.db2.gz XCUOHYOUYQZZQA-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)C(C)(C)C ZINC000265309999 135362535 /nfs/dbraw/zinc/36/25/35/135362535.db2.gz OKPDQKOCVABZQK-MRVPVSSYSA-N 1 2 209.293 1.708 20 0 BDADLO Cn1cc(C[N@@H+]2CCc3ccsc3C2)nn1 ZINC000334347042 135367044 /nfs/dbraw/zinc/36/70/44/135367044.db2.gz WVGTVCMJGZKZTC-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1cc(C[N@H+]2CCc3ccsc3C2)nn1 ZINC000334347042 135367045 /nfs/dbraw/zinc/36/70/45/135367045.db2.gz WVGTVCMJGZKZTC-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000334358733 135371000 /nfs/dbraw/zinc/37/10/00/135371000.db2.gz UBGYXBXOMUJDDV-LBPRGKRZSA-N 1 2 245.326 1.702 20 0 BDADLO COc1c(C[N@@H+]2CC[C@@](C)(F)C2)c(C)nn1C ZINC000334356782 135371876 /nfs/dbraw/zinc/37/18/76/135371876.db2.gz OCEPYVLCWCPDDF-GFCCVEGCSA-N 1 2 241.310 1.671 20 0 BDADLO COc1c(C[N@H+]2CC[C@@](C)(F)C2)c(C)nn1C ZINC000334356782 135371877 /nfs/dbraw/zinc/37/18/77/135371877.db2.gz OCEPYVLCWCPDDF-GFCCVEGCSA-N 1 2 241.310 1.671 20 0 BDADLO O=C(CC1CC1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000334368357 135374447 /nfs/dbraw/zinc/37/44/47/135374447.db2.gz SHEFUVJESQEXTN-ZDUSSCGKSA-N 1 2 245.326 1.355 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334376143 135376162 /nfs/dbraw/zinc/37/61/62/135376162.db2.gz VIBGDMGMFJKVIG-NEPJUHHUSA-N 1 2 247.342 1.702 20 0 BDADLO O=C1CC[C@@H](Nc2cccc[nH+]2)[C@H](C2CC2)N1 ZINC000334409741 135391957 /nfs/dbraw/zinc/39/19/57/135391957.db2.gz JDCDYHNAQUGWSW-MFKMUULPSA-N 1 2 231.299 1.551 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000334415196 135397443 /nfs/dbraw/zinc/39/74/43/135397443.db2.gz NNPFCHXYFHWNTB-RKDXNWHRSA-N 1 2 244.289 1.853 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000334415196 135397445 /nfs/dbraw/zinc/39/74/45/135397445.db2.gz NNPFCHXYFHWNTB-RKDXNWHRSA-N 1 2 244.289 1.853 20 0 BDADLO CC[C@H](CO)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343803180 135698152 /nfs/dbraw/zinc/69/81/52/135698152.db2.gz WRKLYCASVHMLHP-VXGBXAGGSA-N 1 2 246.314 1.255 20 0 BDADLO C[N@@H+](Cc1ccn(C(F)F)n1)C[C@H]1CCCO1 ZINC000347710713 136002438 /nfs/dbraw/zinc/00/24/38/136002438.db2.gz WXOMCUPVXIKSND-SNVBAGLBSA-N 1 2 245.273 1.889 20 0 BDADLO C[N@H+](Cc1ccn(C(F)F)n1)C[C@H]1CCCO1 ZINC000347710713 136002439 /nfs/dbraw/zinc/00/24/39/136002439.db2.gz WXOMCUPVXIKSND-SNVBAGLBSA-N 1 2 245.273 1.889 20 0 BDADLO C[N@H+](Cc1cnccn1)Cc1cccnc1N ZINC000347744073 136010840 /nfs/dbraw/zinc/01/08/40/136010840.db2.gz AXIYJPQBWYWKDN-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1cnccn1)Cc1cccnc1N ZINC000347744073 136010841 /nfs/dbraw/zinc/01/08/41/136010841.db2.gz AXIYJPQBWYWKDN-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000347868203 136016599 /nfs/dbraw/zinc/01/65/99/136016599.db2.gz ORHORLOYJWZZFN-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000347868203 136016600 /nfs/dbraw/zinc/01/66/00/136016600.db2.gz ORHORLOYJWZZFN-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO CCc1ncnc(N(C)Cc2[nH]cc[nH+]2)c1F ZINC000347881258 136017461 /nfs/dbraw/zinc/01/74/61/136017461.db2.gz XBMFSAILQXXCCC-UHFFFAOYSA-N 1 2 235.266 1.538 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000347994656 136023371 /nfs/dbraw/zinc/02/33/71/136023371.db2.gz DIQZUVVMEYRXOL-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000347994651 136023645 /nfs/dbraw/zinc/02/36/45/136023645.db2.gz DIQZUVVMEYRXOL-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000335307464 136027338 /nfs/dbraw/zinc/02/73/38/136027338.db2.gz UEAATMMRQNTOKI-MRVPVSSYSA-N 1 2 207.277 1.789 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000335307464 136027339 /nfs/dbraw/zinc/02/73/39/136027339.db2.gz UEAATMMRQNTOKI-MRVPVSSYSA-N 1 2 207.277 1.789 20 0 BDADLO Cc1cc(C)n(CC[NH2+][C@H](C)c2nc(C)no2)n1 ZINC000348099887 136036290 /nfs/dbraw/zinc/03/62/90/136036290.db2.gz XFBJQJPCWSNJRP-SNVBAGLBSA-N 1 2 249.318 1.542 20 0 BDADLO FC(F)[C@@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000348221641 136047166 /nfs/dbraw/zinc/04/71/66/136047166.db2.gz KDWAUXDGASMNNA-HTQZYQBOSA-N 1 2 225.242 1.841 20 0 BDADLO CC(C)[C@@H](C)CC(=O)N1CCn2cc[nH+]c2C1 ZINC000335328985 136053149 /nfs/dbraw/zinc/05/31/49/136053149.db2.gz QSKJWNJDBMWLNV-NSHDSACASA-N 1 2 235.331 1.908 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2nnc[nH]2)cs1 ZINC000348257268 136057783 /nfs/dbraw/zinc/05/77/83/136057783.db2.gz QAYVNRQDEYMWJA-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2nnc[nH]2)cs1 ZINC000348257268 136057784 /nfs/dbraw/zinc/05/77/84/136057784.db2.gz QAYVNRQDEYMWJA-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO COC(=O)C[N@H+](C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000348236760 136061231 /nfs/dbraw/zinc/06/12/31/136061231.db2.gz XRVLSVDTVVNEFJ-MWLCHTKSSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)C[N@@H+](C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000348236760 136061232 /nfs/dbraw/zinc/06/12/32/136061232.db2.gz XRVLSVDTVVNEFJ-MWLCHTKSSA-N 1 2 227.304 1.191 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1=CCOCC1 ZINC000348239396 136062002 /nfs/dbraw/zinc/06/20/02/136062002.db2.gz HJPRLVNYTPSBSX-UHFFFAOYSA-N 1 2 248.282 1.053 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000335342111 136064552 /nfs/dbraw/zinc/06/45/52/136064552.db2.gz CRCBGDWICLKZBW-WDEREUQCSA-N 1 2 236.319 1.323 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](O)C2(C)C)cc[nH+]1 ZINC000335347593 136067065 /nfs/dbraw/zinc/06/70/65/136067065.db2.gz HFTYQWIUUKRLKK-NSHDSACASA-N 1 2 249.314 1.189 20 0 BDADLO C[C@H](c1nncn1C)[NH+]1CCC(C(F)F)CC1 ZINC000335353900 136070660 /nfs/dbraw/zinc/07/06/60/136070660.db2.gz FBQSELJJCVWECQ-MRVPVSSYSA-N 1 2 244.289 1.853 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000348363061 136072519 /nfs/dbraw/zinc/07/25/19/136072519.db2.gz KGMWARVZNKRUNQ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000348363061 136072520 /nfs/dbraw/zinc/07/25/20/136072520.db2.gz KGMWARVZNKRUNQ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1ccnn1C ZINC000348371285 136073890 /nfs/dbraw/zinc/07/38/90/136073890.db2.gz NHVSJDZYGHXWOL-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCc1noc(C)c1C[N@H+](C)Cc1ccnn1C ZINC000348414735 136077356 /nfs/dbraw/zinc/07/73/56/136077356.db2.gz XZELMKNGPMJVQK-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1noc(C)c1C[N@@H+](C)Cc1ccnn1C ZINC000348414735 136077357 /nfs/dbraw/zinc/07/73/57/136077357.db2.gz XZELMKNGPMJVQK-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCCC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000348420941 136078062 /nfs/dbraw/zinc/07/80/62/136078062.db2.gz LLMGWCKOMIIPLV-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO O=C(Nc1nccs1)N1CCn2c[nH+]cc2C1 ZINC000335380993 136087495 /nfs/dbraw/zinc/08/74/95/136087495.db2.gz MNEKKNZSLKNJBH-UHFFFAOYSA-N 1 2 249.299 1.387 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)c1ccccc1 ZINC000335383676 136088183 /nfs/dbraw/zinc/08/81/83/136088183.db2.gz ASWXQYBYBYLSEO-UHFFFAOYSA-N 1 2 229.283 1.924 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC(C)(C(N)=O)C1 ZINC000335389366 136090058 /nfs/dbraw/zinc/09/00/58/136090058.db2.gz MDQFRNPHBDNEFA-UHFFFAOYSA-N 1 2 244.298 1.935 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000335397476 136092973 /nfs/dbraw/zinc/09/29/73/136092973.db2.gz YNNVLHMDUATYEJ-UWVGGRQHSA-N 1 2 235.287 1.111 20 0 BDADLO Cc1cc(NC(=O)NC2(CF)CCC2)cc[nH+]1 ZINC000335397479 136093219 /nfs/dbraw/zinc/09/32/19/136093219.db2.gz YPUWNEQKZSSOFD-UHFFFAOYSA-N 1 2 237.278 1.826 20 0 BDADLO CN(CC(F)F)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335548542 136097380 /nfs/dbraw/zinc/09/73/80/136097380.db2.gz OVLKXAKRXBZGOU-QMMMGPOBSA-N 1 2 243.257 1.169 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335549726 136097859 /nfs/dbraw/zinc/09/78/59/136097859.db2.gz UIMOIJCLKDCFQH-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1ccc2cc[nH+]c(N3CCNC(=O)C3)c2c1 ZINC000335590889 136103158 /nfs/dbraw/zinc/10/31/58/136103158.db2.gz SDXPDXCWVMBSAC-UHFFFAOYSA-N 1 2 241.294 1.479 20 0 BDADLO Cn1c[nH+]cc1Cn1cnc(C(C)(C)C)n1 ZINC000335597603 136105399 /nfs/dbraw/zinc/10/53/99/136105399.db2.gz UPTYDHQBPGCOSA-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CC12CC2 ZINC000335567018 136108067 /nfs/dbraw/zinc/10/80/67/136108067.db2.gz IESPJHRUDUNWIP-LLVKDONJSA-N 1 2 241.294 1.751 20 0 BDADLO Cn1cc(C[NH+]2CC3(C2)CCCCC3)nn1 ZINC000335572125 136109990 /nfs/dbraw/zinc/10/99/90/136109990.db2.gz AAUUNAQVDDVLPV-UHFFFAOYSA-N 1 2 220.320 1.581 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](Cc2ccccn2)CCN1C ZINC000335571483 136110110 /nfs/dbraw/zinc/11/01/10/136110110.db2.gz FIPSFVYSLZKRQH-RYUDHWBXSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](Cc2ccccn2)CCN1C ZINC000335571483 136110111 /nfs/dbraw/zinc/11/01/11/136110111.db2.gz FIPSFVYSLZKRQH-RYUDHWBXSA-N 1 2 219.332 1.606 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn[nH]2)CCS1 ZINC000335578223 136111632 /nfs/dbraw/zinc/11/16/32/136111632.db2.gz DZVNMBJULOGJEE-SECBINFHSA-N 1 2 212.322 1.132 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000335578223 136111633 /nfs/dbraw/zinc/11/16/33/136111633.db2.gz DZVNMBJULOGJEE-SECBINFHSA-N 1 2 212.322 1.132 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c[nH]nn2)CCS1 ZINC000335578223 136111634 /nfs/dbraw/zinc/11/16/34/136111634.db2.gz DZVNMBJULOGJEE-SECBINFHSA-N 1 2 212.322 1.132 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000335578223 136111635 /nfs/dbraw/zinc/11/16/35/136111635.db2.gz DZVNMBJULOGJEE-SECBINFHSA-N 1 2 212.322 1.132 20 0 BDADLO COCc1nc(C)cc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000348707794 136116847 /nfs/dbraw/zinc/11/68/47/136116847.db2.gz UZOINBUIEARWRC-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO CC(C)c1nc(N[C@H]2CCOC2)cc[nH+]1 ZINC000301777128 397791951 /nfs/dbraw/zinc/79/19/51/397791951.db2.gz OYWRNMKRYIFXFJ-VIFPVBQESA-N 1 2 207.277 1.801 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000177022997 397840066 /nfs/dbraw/zinc/84/00/66/397840066.db2.gz MLCPTDMGBPIUPN-GFCCVEGCSA-N 1 2 237.274 1.918 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000177022997 397840070 /nfs/dbraw/zinc/84/00/70/397840070.db2.gz MLCPTDMGBPIUPN-GFCCVEGCSA-N 1 2 237.274 1.918 20 0 BDADLO Cc1[nH]ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000178855721 397849398 /nfs/dbraw/zinc/84/93/98/397849398.db2.gz CMNCUVDXJFPSLU-UHFFFAOYSA-N 1 2 232.287 1.340 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccnc1 ZINC000182673609 397863346 /nfs/dbraw/zinc/86/33/46/397863346.db2.gz YKNMABMVPAFTRV-VIFPVBQESA-N 1 2 243.314 1.928 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CC[C@H]1CCCCO1 ZINC000336723300 397930841 /nfs/dbraw/zinc/93/08/41/397930841.db2.gz AQCKOKOBFMZNMY-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000440529450 397931331 /nfs/dbraw/zinc/93/13/31/397931331.db2.gz HIEOLYUCYQAGOO-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO COc1cncc(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000631239861 397935953 /nfs/dbraw/zinc/93/59/53/397935953.db2.gz XIHFAQWGQDMUTP-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CCC1(C)CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000643172434 397949873 /nfs/dbraw/zinc/94/98/73/397949873.db2.gz QAJFIXOJLPFCDZ-UHFFFAOYSA-N 1 2 243.314 1.899 20 0 BDADLO C[C@@H](CC(=O)Nc1cnccn1)n1cc[nH+]c1 ZINC000649558473 397950617 /nfs/dbraw/zinc/95/06/17/397950617.db2.gz OQELEUQGNLIXCF-VIFPVBQESA-N 1 2 231.259 1.263 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(F)cn1 ZINC000493489884 397954812 /nfs/dbraw/zinc/95/48/12/397954812.db2.gz IWCUWSSUXJLTKB-RQOWECAXSA-N 1 2 232.218 1.596 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000271433011 397967983 /nfs/dbraw/zinc/96/79/83/397967983.db2.gz OWAANGXQDCHJCU-CBAPKCEASA-N 1 2 223.276 1.015 20 0 BDADLO CC(C)Oc1cc[nH+]c(CN2CC(=O)N(C)C2)c1 ZINC000649577455 397968590 /nfs/dbraw/zinc/96/85/90/397968590.db2.gz KMWSWWDWULIZQL-UHFFFAOYSA-N 1 2 249.314 1.100 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCc1ccco1 ZINC000264099411 397916697 /nfs/dbraw/zinc/91/66/97/397916697.db2.gz RFAYRNJKWVQPAP-UHFFFAOYSA-N 1 2 234.259 1.013 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000271160087 397964265 /nfs/dbraw/zinc/96/42/65/397964265.db2.gz VXUNVFVEAPIIFV-NEPJUHHUSA-N 1 2 249.314 1.815 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccn2C)[C@@H](C)C1 ZINC000271165392 397964405 /nfs/dbraw/zinc/96/44/05/397964405.db2.gz FLTRAECFWTZELA-NSHDSACASA-N 1 2 235.331 1.078 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccn2C)[C@@H](C)C1 ZINC000271165392 397964407 /nfs/dbraw/zinc/96/44/07/397964407.db2.gz FLTRAECFWTZELA-NSHDSACASA-N 1 2 235.331 1.078 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000148603590 397994435 /nfs/dbraw/zinc/99/44/35/397994435.db2.gz HJYFWZKZRITVFE-LDYMZIIASA-N 1 2 209.293 1.375 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371559795 397995154 /nfs/dbraw/zinc/99/51/54/397995154.db2.gz KWDAGBWHLXCHBR-DCAQKATOSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1noc(CNC(=O)Nc2cc[nH+]cc2C)n1 ZINC000120515350 397996552 /nfs/dbraw/zinc/99/65/52/397996552.db2.gz ITPJOQGXBKKMCD-UHFFFAOYSA-N 1 2 247.258 1.403 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649617938 398000438 /nfs/dbraw/zinc/00/04/38/398000438.db2.gz CEBKEOKJJKYYLG-LBPRGKRZSA-N 1 2 221.304 1.050 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649617938 398000439 /nfs/dbraw/zinc/00/04/39/398000439.db2.gz CEBKEOKJJKYYLG-LBPRGKRZSA-N 1 2 221.304 1.050 20 0 BDADLO COCc1cc[nH+]c(NCc2ccnn2C)c1 ZINC000650244769 398007283 /nfs/dbraw/zinc/00/72/83/398007283.db2.gz OWJRZHTXUMWOIX-UHFFFAOYSA-N 1 2 232.287 1.574 20 0 BDADLO Clc1cncc(NCCCn2cc[nH+]c2)n1 ZINC000054917674 398015242 /nfs/dbraw/zinc/01/52/42/398015242.db2.gz SPVCCFSPCQOUEO-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC2(CCCC2)O1 ZINC000646132865 398020722 /nfs/dbraw/zinc/02/07/22/398020722.db2.gz HTDBABDZBWTTIE-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc[nH]2)CC2(CCCC2)O1 ZINC000646132865 398020727 /nfs/dbraw/zinc/02/07/27/398020727.db2.gz HTDBABDZBWTTIE-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc[nH]2)CC2(CCCC2)O1 ZINC000646132865 398020733 /nfs/dbraw/zinc/02/07/33/398020733.db2.gz HTDBABDZBWTTIE-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1C[C@H](CNc2cc(CO)cc[nH+]2)[C@H](C)O1 ZINC000641634384 398021493 /nfs/dbraw/zinc/02/14/93/398021493.db2.gz MPPXMXQSCAMLSN-JFGNBEQYSA-N 1 2 236.315 1.799 20 0 BDADLO COCCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649655159 398023421 /nfs/dbraw/zinc/02/34/21/398023421.db2.gz OXARMYRDWJRCBJ-NSHDSACASA-N 1 2 239.319 1.329 20 0 BDADLO Cc1noc(C[NH2+][C@@H](CCO)c2ccccc2)n1 ZINC000271718671 397971094 /nfs/dbraw/zinc/97/10/94/397971094.db2.gz WGXQXAJJZJVCKU-LBPRGKRZSA-N 1 2 247.298 1.591 20 0 BDADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(N)=O ZINC000554890788 397975519 /nfs/dbraw/zinc/97/55/19/397975519.db2.gz XGYAPLJBQAMWNI-MRVPVSSYSA-N 1 2 222.263 1.230 20 0 BDADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(N)=O ZINC000554890788 397975523 /nfs/dbraw/zinc/97/55/23/397975523.db2.gz XGYAPLJBQAMWNI-MRVPVSSYSA-N 1 2 222.263 1.230 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649592270 397986239 /nfs/dbraw/zinc/98/62/39/397986239.db2.gz ZKTVSTWTMXJUEQ-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649592270 397986240 /nfs/dbraw/zinc/98/62/40/397986240.db2.gz ZKTVSTWTMXJUEQ-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649593537 397987829 /nfs/dbraw/zinc/98/78/29/397987829.db2.gz SHMROLPPQWOSAM-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649593537 397987833 /nfs/dbraw/zinc/98/78/33/397987833.db2.gz SHMROLPPQWOSAM-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)c2ccccc2F)C[C@H]1O ZINC000388653027 397987866 /nfs/dbraw/zinc/98/78/66/397987866.db2.gz SAVQPHIOOLJQNY-BXKDBHETSA-N 1 2 237.274 1.321 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)c2ccccc2F)C[C@H]1O ZINC000388653027 397987869 /nfs/dbraw/zinc/98/78/69/397987869.db2.gz SAVQPHIOOLJQNY-BXKDBHETSA-N 1 2 237.274 1.321 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCCOC1)n1cc[nH+]c1 ZINC000649695657 398043786 /nfs/dbraw/zinc/04/37/86/398043786.db2.gz DAOBWCKBDZLPAI-GHMZBOCLSA-N 1 2 237.303 1.129 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnnn2C)[C@@H](CC)CO1 ZINC000649718280 398060289 /nfs/dbraw/zinc/06/02/89/398060289.db2.gz WTRIBYMAVAJYEZ-JQWIXIFHSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnnn2C)[C@@H](CC)CO1 ZINC000649718280 398060291 /nfs/dbraw/zinc/06/02/91/398060291.db2.gz WTRIBYMAVAJYEZ-JQWIXIFHSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]cn2C)[C@@H](CC)CO1 ZINC000649720572 398062339 /nfs/dbraw/zinc/06/23/39/398062339.db2.gz LMVNEJDBESWMLF-AAEUAGOBSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cnnn1C ZINC000649717462 398063827 /nfs/dbraw/zinc/06/38/27/398063827.db2.gz FTQAAFIQHMYTPW-JTQLQIEISA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cnnn1C ZINC000649717462 398063831 /nfs/dbraw/zinc/06/38/31/398063831.db2.gz FTQAAFIQHMYTPW-JTQLQIEISA-N 1 2 238.335 1.205 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730608 398069222 /nfs/dbraw/zinc/06/92/22/398069222.db2.gz UXIRBWUWTFUBLP-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730608 398069227 /nfs/dbraw/zinc/06/92/27/398069227.db2.gz UXIRBWUWTFUBLP-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CC1(C)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000283244596 398070343 /nfs/dbraw/zinc/07/03/43/398070343.db2.gz LNRYZGVSKQRXJC-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@]1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000283276889 398071054 /nfs/dbraw/zinc/07/10/54/398071054.db2.gz WACMTWRYCAYBOK-MUBLQREKSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000649731340 398071687 /nfs/dbraw/zinc/07/16/87/398071687.db2.gz GGMHYCVBONDDSV-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000649731340 398071691 /nfs/dbraw/zinc/07/16/91/398071691.db2.gz GGMHYCVBONDDSV-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(C)c2)[C@H](C)CO1 ZINC000649732176 398072448 /nfs/dbraw/zinc/07/24/48/398072448.db2.gz TXSRIGDEMUASPB-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(C)c2)[C@H](C)CO1 ZINC000649732176 398072452 /nfs/dbraw/zinc/07/24/52/398072452.db2.gz TXSRIGDEMUASPB-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO COC(=O)[C@]1(C)CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000283473798 398074196 /nfs/dbraw/zinc/07/41/96/398074196.db2.gz JUHFXEIQQFFGJI-NOZJJQNGSA-N 1 2 249.314 1.420 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnnn2CC)[C@H](C)CO1 ZINC000649737261 398076023 /nfs/dbraw/zinc/07/60/23/398076023.db2.gz VBXAMVXVAWWROL-ZYHUDNBSSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnnn2CC)[C@H](C)CO1 ZINC000649737261 398076024 /nfs/dbraw/zinc/07/60/24/398076024.db2.gz VBXAMVXVAWWROL-ZYHUDNBSSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@H](C)CO1 ZINC000649736734 398078673 /nfs/dbraw/zinc/07/86/73/398078673.db2.gz IAEPCAVPUJCVAN-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)CO1 ZINC000649736734 398078674 /nfs/dbraw/zinc/07/86/74/398078674.db2.gz IAEPCAVPUJCVAN-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO CCn1ncnc1C[N@H+](CC)[C@H]1CCCOC1 ZINC000649755453 398086057 /nfs/dbraw/zinc/08/60/57/398086057.db2.gz OEXVISVANMCSGU-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](CC)[C@H]1CCCOC1 ZINC000649755453 398086061 /nfs/dbraw/zinc/08/60/61/398086061.db2.gz OEXVISVANMCSGU-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CC[N@H+](Cc1nc(C)no1)[C@H]1CCCOC1 ZINC000649755487 398086149 /nfs/dbraw/zinc/08/61/49/398086149.db2.gz PGUBKRYPMVXXTI-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1nc(C)no1)[C@H]1CCCOC1 ZINC000649755487 398086151 /nfs/dbraw/zinc/08/61/51/398086151.db2.gz PGUBKRYPMVXXTI-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1noc(C)n1)[C@H]1CCCOC1 ZINC000649759850 398089203 /nfs/dbraw/zinc/08/92/03/398089203.db2.gz XNRTWPGCPIHXFV-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1noc(C)n1)[C@H]1CCCOC1 ZINC000649759850 398089207 /nfs/dbraw/zinc/08/92/07/398089207.db2.gz XNRTWPGCPIHXFV-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185131887 398089974 /nfs/dbraw/zinc/08/99/74/398089974.db2.gz VTEYTPFTWAQTLH-DGCLKSJQSA-N 1 2 249.314 1.029 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185131887 398089977 /nfs/dbraw/zinc/08/99/77/398089977.db2.gz VTEYTPFTWAQTLH-DGCLKSJQSA-N 1 2 249.314 1.029 20 0 BDADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CC=C(C)C ZINC000116282828 398090164 /nfs/dbraw/zinc/09/01/64/398090164.db2.gz FXDFRPVDZKFIPL-WDEREUQCSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CC=C(C)C ZINC000116282828 398090166 /nfs/dbraw/zinc/09/01/66/398090166.db2.gz FXDFRPVDZKFIPL-WDEREUQCSA-N 1 2 227.304 1.215 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000649704204 398052375 /nfs/dbraw/zinc/05/23/75/398052375.db2.gz ZJEGLMUBBYZSEB-LLVKDONJSA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000649704204 398052381 /nfs/dbraw/zinc/05/23/81/398052381.db2.gz ZJEGLMUBBYZSEB-LLVKDONJSA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000649704204 398052384 /nfs/dbraw/zinc/05/23/84/398052384.db2.gz ZJEGLMUBBYZSEB-LLVKDONJSA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000649704204 398052391 /nfs/dbraw/zinc/05/23/91/398052391.db2.gz ZJEGLMUBBYZSEB-LLVKDONJSA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000649704204 398052397 /nfs/dbraw/zinc/05/23/97/398052397.db2.gz ZJEGLMUBBYZSEB-LLVKDONJSA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000649704204 398052398 /nfs/dbraw/zinc/05/23/98/398052398.db2.gz ZJEGLMUBBYZSEB-LLVKDONJSA-N 1 2 224.308 1.194 20 0 BDADLO CSC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000280203875 398055602 /nfs/dbraw/zinc/05/56/02/398055602.db2.gz VIZIJCDVGIQTMW-UHFFFAOYSA-N 1 2 239.344 1.285 20 0 BDADLO CO[C@@](C)(C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000291588346 398096647 /nfs/dbraw/zinc/09/66/47/398096647.db2.gz ZMVUVENSJFCFDG-CYBMUJFWSA-N 1 2 249.314 1.040 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000193352385 398110417 /nfs/dbraw/zinc/11/04/17/398110417.db2.gz BVOKKSYNYPTEFF-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncnc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000193352385 398110420 /nfs/dbraw/zinc/11/04/20/398110420.db2.gz BVOKKSYNYPTEFF-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC000376854694 167021043 /nfs/dbraw/zinc/02/10/43/167021043.db2.gz BRBIIDWEBSEGDR-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000376854694 167021044 /nfs/dbraw/zinc/02/10/44/167021044.db2.gz BRBIIDWEBSEGDR-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)NC(=O)CC[N@H+](C)CC(F)F ZINC000103488241 167040220 /nfs/dbraw/zinc/04/02/20/167040220.db2.gz SAVKLASQKHHESH-UHFFFAOYSA-N 1 2 208.252 1.098 20 0 BDADLO CC(C)NC(=O)CC[N@@H+](C)CC(F)F ZINC000103488241 167040223 /nfs/dbraw/zinc/04/02/23/167040223.db2.gz SAVKLASQKHHESH-UHFFFAOYSA-N 1 2 208.252 1.098 20 0 BDADLO C[N@@H+](Cc1nnc2ccccn21)C[C@@H]1CCCO1 ZINC000674305719 487557649 /nfs/dbraw/zinc/55/76/49/487557649.db2.gz POHPPALDZIABGC-NSHDSACASA-N 1 2 246.314 1.340 20 0 BDADLO C[N@H+](Cc1nnc2ccccn21)C[C@@H]1CCCO1 ZINC000674305719 487557651 /nfs/dbraw/zinc/55/76/51/487557651.db2.gz POHPPALDZIABGC-NSHDSACASA-N 1 2 246.314 1.340 20 0 BDADLO C[N@H+](Cc1nnc2ccccn21)[C@H]1CCCOC1 ZINC000674305437 487557685 /nfs/dbraw/zinc/55/76/85/487557685.db2.gz QITQRXYWWHDCQP-NSHDSACASA-N 1 2 246.314 1.340 20 0 BDADLO C[N@@H+](Cc1nnc2ccccn21)[C@H]1CCCOC1 ZINC000674305437 487557688 /nfs/dbraw/zinc/55/76/88/487557688.db2.gz QITQRXYWWHDCQP-NSHDSACASA-N 1 2 246.314 1.340 20 0 BDADLO O=C(CCn1cccc1)Nc1cc[nH+]cc1O ZINC000674323875 487560813 /nfs/dbraw/zinc/56/08/13/487560813.db2.gz IWDZZECYBVVCIQ-UHFFFAOYSA-N 1 2 231.255 1.039 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1[nH]cc[nH+]1 ZINC000140993724 487561426 /nfs/dbraw/zinc/56/14/26/487561426.db2.gz XBYTZWPCVIIGHA-RKDXNWHRSA-N 1 2 233.275 1.045 20 0 BDADLO CCOC(=O)CC1CC[NH+](CC(F)F)CC1 ZINC000260341310 487563938 /nfs/dbraw/zinc/56/39/38/487563938.db2.gz LIIDKSHAQHKNHD-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)c[nH]c1=O ZINC000527252615 487570551 /nfs/dbraw/zinc/57/05/51/487570551.db2.gz MNAARFPSACIMTE-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)c[nH]c1=O ZINC000527252615 487570555 /nfs/dbraw/zinc/57/05/55/487570555.db2.gz MNAARFPSACIMTE-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO O=C(C1CCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785482 487574654 /nfs/dbraw/zinc/57/46/54/487574654.db2.gz JOCXHQNQNUPVQY-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO O=C(C1CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785482 487574656 /nfs/dbraw/zinc/57/46/56/487574656.db2.gz JOCXHQNQNUPVQY-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1conc1C1CC1 ZINC000685752561 487576088 /nfs/dbraw/zinc/57/60/88/487576088.db2.gz HPDQCMZBKWKIQK-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1conc1C1CC1 ZINC000685752561 487576092 /nfs/dbraw/zinc/57/60/92/487576092.db2.gz HPDQCMZBKWKIQK-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCSC1 ZINC000685752618 487576185 /nfs/dbraw/zinc/57/61/85/487576185.db2.gz YZSGYISLLWNGBP-MRVPVSSYSA-N 1 2 225.317 1.169 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCSC1 ZINC000685752618 487576188 /nfs/dbraw/zinc/57/61/88/487576188.db2.gz YZSGYISLLWNGBP-MRVPVSSYSA-N 1 2 225.317 1.169 20 0 BDADLO CC(C)OCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000366665318 167232958 /nfs/dbraw/zinc/23/29/58/167232958.db2.gz QNUOHZAEMJZEKP-SNVBAGLBSA-N 1 2 225.292 1.632 20 0 BDADLO CC(C)OCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000366665318 167232959 /nfs/dbraw/zinc/23/29/59/167232959.db2.gz QNUOHZAEMJZEKP-SNVBAGLBSA-N 1 2 225.292 1.632 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2n[nH]cc2C)cn1 ZINC000685843496 487587034 /nfs/dbraw/zinc/58/70/34/487587034.db2.gz ZQRHRMWFKCJGAL-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2n[nH]cc2C)cn1 ZINC000685843496 487587040 /nfs/dbraw/zinc/58/70/40/487587040.db2.gz ZQRHRMWFKCJGAL-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353173877 167267063 /nfs/dbraw/zinc/26/70/63/167267063.db2.gz PSJUQNCZDPRPMN-NXEZZACHSA-N 1 2 237.290 1.502 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353173877 167267065 /nfs/dbraw/zinc/26/70/65/167267065.db2.gz PSJUQNCZDPRPMN-NXEZZACHSA-N 1 2 237.290 1.502 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C2CC2)C1 ZINC000685859986 487590679 /nfs/dbraw/zinc/59/06/79/487590679.db2.gz OMQNUQLWZIHCRJ-LBPRGKRZSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)OCc1nc([C@@H](C)[NH2+]C[C@@H](C)O)no1 ZINC000339205496 167271357 /nfs/dbraw/zinc/27/13/57/167271357.db2.gz SDFXZDDEWRQJIF-RKDXNWHRSA-N 1 2 243.307 1.026 20 0 BDADLO CC(C)CCCC(=O)NCc1c[nH+]cn1C ZINC000295276636 487595481 /nfs/dbraw/zinc/59/54/81/487595481.db2.gz BBFCMIGPPHGPKY-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO CCc1cc(NCc2ncnn2C(C)C)nc[nH+]1 ZINC000685917321 487595703 /nfs/dbraw/zinc/59/57/03/487595703.db2.gz CEQDTMCXMTXORQ-UHFFFAOYSA-N 1 2 246.318 1.824 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@@H]2CCC(C)(C)O2)n1 ZINC000653889195 487608818 /nfs/dbraw/zinc/60/88/18/487608818.db2.gz UPBGRUWUKQEWRK-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@@H]2CCC(C)(C)O2)n1 ZINC000653889195 487608820 /nfs/dbraw/zinc/60/88/20/487608820.db2.gz UPBGRUWUKQEWRK-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2csnn2)C[C@H]1C ZINC000660719609 409644386 /nfs/dbraw/zinc/64/43/86/409644386.db2.gz DFYAIAQEODHTEL-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2csnn2)C[C@H]1C ZINC000660719609 409644393 /nfs/dbraw/zinc/64/43/93/409644393.db2.gz DFYAIAQEODHTEL-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1CC2CC1(C)C2 ZINC000662385526 409689538 /nfs/dbraw/zinc/68/95/38/409689538.db2.gz VFLWPZDOSYCFCS-UHFFFAOYSA-N 1 2 234.347 1.918 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1CC2CC1(C)C2 ZINC000662385526 409689542 /nfs/dbraw/zinc/68/95/42/409689542.db2.gz VFLWPZDOSYCFCS-UHFFFAOYSA-N 1 2 234.347 1.918 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)Cc2ccccn2)c[nH+]1 ZINC000655307464 409882945 /nfs/dbraw/zinc/88/29/45/409882945.db2.gz BSVKFRYZYGYMCE-SECBINFHSA-N 1 2 244.298 1.474 20 0 BDADLO O=C1[C@H](n2cc[nH+]c2)CCN1CC(F)(F)F ZINC000111197021 410219069 /nfs/dbraw/zinc/21/90/69/410219069.db2.gz FXFSUAASMBEZOY-SSDOTTSWSA-N 1 2 233.193 1.219 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC12CC2)c1[nH]cc[nH+]1 ZINC000655401993 410204943 /nfs/dbraw/zinc/20/49/43/410204943.db2.gz RERYZJDYUAVDSA-HTQZYQBOSA-N 1 2 205.261 1.387 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655401765 410205496 /nfs/dbraw/zinc/20/54/96/410205496.db2.gz BEQHCSNEZTUJAF-MRVPVSSYSA-N 1 2 218.260 1.537 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000663947075 410395066 /nfs/dbraw/zinc/39/50/66/410395066.db2.gz NWHGFZQMFPNCEH-YUMQZZPRSA-N 1 2 221.308 1.091 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@@H]2C)[nH+]1 ZINC000663947075 410395072 /nfs/dbraw/zinc/39/50/72/410395072.db2.gz NWHGFZQMFPNCEH-YUMQZZPRSA-N 1 2 221.308 1.091 20 0 BDADLO CCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000130181239 410395355 /nfs/dbraw/zinc/39/53/55/410395355.db2.gz XJUFEFYBXSSNHR-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000130181239 410395358 /nfs/dbraw/zinc/39/53/58/410395358.db2.gz XJUFEFYBXSSNHR-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO Cc1cnc(SC[C@H]2C[N@H+](C)CCO2)nc1 ZINC000664050774 410447692 /nfs/dbraw/zinc/44/76/92/410447692.db2.gz PUSATWOWALMFEV-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1cnc(SC[C@H]2C[N@@H+](C)CCO2)nc1 ZINC000664050774 410447695 /nfs/dbraw/zinc/44/76/95/410447695.db2.gz PUSATWOWALMFEV-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N(C1CC1)C1COC1 ZINC000650807505 410516585 /nfs/dbraw/zinc/51/65/85/410516585.db2.gz JXQZSMIQFGOHQN-UHFFFAOYSA-N 1 2 249.314 1.053 20 0 BDADLO CC/C=C/CNC(=O)CCCn1cc[nH+]c1 ZINC000650825609 410528882 /nfs/dbraw/zinc/52/88/82/410528882.db2.gz GWDVGGKEGCVGFN-ONEGZZNKSA-N 1 2 221.304 1.746 20 0 BDADLO Cc1nc(NC[C@@H](CO)CC2CC2)cc[nH+]1 ZINC000664463913 410586836 /nfs/dbraw/zinc/58/68/36/410586836.db2.gz XOMLTOGQMGYGCF-NSHDSACASA-N 1 2 221.304 1.606 20 0 BDADLO Cc1cccnc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000664289613 410551696 /nfs/dbraw/zinc/55/16/96/410551696.db2.gz WUYGUMNSQKHXNJ-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1cccnc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000664289613 410551700 /nfs/dbraw/zinc/55/17/00/410551700.db2.gz WUYGUMNSQKHXNJ-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO O=C1CC[C@H]2CN(c3cccc[nH+]3)CC[C@@H]2N1 ZINC000664341531 410559749 /nfs/dbraw/zinc/55/97/49/410559749.db2.gz POUFAHHKVMZFHE-QWRGUYRKSA-N 1 2 231.299 1.187 20 0 BDADLO CCCC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000651255399 410880372 /nfs/dbraw/zinc/88/03/72/410880372.db2.gz SDNUHFHVCMXAMU-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO CC(C)N1CC[C@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000336697300 167025122 /nfs/dbraw/zinc/02/51/22/167025122.db2.gz KGIICLABTACLPN-LBPRGKRZSA-N 1 2 236.315 1.721 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000336697300 167025125 /nfs/dbraw/zinc/02/51/25/167025125.db2.gz KGIICLABTACLPN-LBPRGKRZSA-N 1 2 236.315 1.721 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000023706719 167053495 /nfs/dbraw/zinc/05/34/95/167053495.db2.gz YNNBPCWHESMTMR-NSHDSACASA-N 1 2 235.331 1.389 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000023706719 167053496 /nfs/dbraw/zinc/05/34/96/167053496.db2.gz YNNBPCWHESMTMR-NSHDSACASA-N 1 2 235.331 1.389 20 0 BDADLO CC(C)[NH2+]c1ccc(OCC(=O)N(C)C)cc1 ZINC000132990937 167148256 /nfs/dbraw/zinc/14/82/56/167148256.db2.gz DTHFADKOSFIXFD-UHFFFAOYSA-N 1 2 236.315 1.974 20 0 BDADLO CC(C)OCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266044286 167191052 /nfs/dbraw/zinc/19/10/52/167191052.db2.gz GRBFCYOAMUNGHW-UHFFFAOYSA-N 1 2 233.271 1.698 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1nncn1C ZINC000336684518 167208528 /nfs/dbraw/zinc/20/85/28/167208528.db2.gz ZPGWJOKRDQPCMQ-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1nncn1C ZINC000336684518 167208529 /nfs/dbraw/zinc/20/85/29/167208529.db2.gz ZPGWJOKRDQPCMQ-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)C(F)(F)F ZINC000398004072 410937898 /nfs/dbraw/zinc/93/78/98/410937898.db2.gz PKWIXEJBDDWRQJ-RITPCOANSA-N 1 2 233.180 1.687 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000171912065 167350401 /nfs/dbraw/zinc/35/04/01/167350401.db2.gz KMEAYBTWSSWTMP-SNVBAGLBSA-N 1 2 209.293 1.291 20 0 BDADLO CC(C)[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000331091648 167358860 /nfs/dbraw/zinc/35/88/60/167358860.db2.gz WXFMXWDBFAIXLT-VIFPVBQESA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000331091648 167358863 /nfs/dbraw/zinc/35/88/63/167358863.db2.gz WXFMXWDBFAIXLT-VIFPVBQESA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)[C@@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000230915430 167392907 /nfs/dbraw/zinc/39/29/07/167392907.db2.gz ZEESAHOTMMLKFH-SNVBAGLBSA-N 1 2 249.318 1.182 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC12CCCC2 ZINC000651373087 410957254 /nfs/dbraw/zinc/95/72/54/410957254.db2.gz AJPFIHIWFAGAEA-UHFFFAOYSA-N 1 2 243.314 1.886 20 0 BDADLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)O2)n1cc[nH+]c1 ZINC000651419541 411001492 /nfs/dbraw/zinc/00/14/92/411001492.db2.gz DKKTTYSADAWQRF-UTUOFQBUSA-N 1 2 249.314 1.224 20 0 BDADLO CC(C)(C)c1nc(N[C@@H](CO)CCF)cc[nH+]1 ZINC000651463336 411046500 /nfs/dbraw/zinc/04/65/00/411046500.db2.gz QENDZMQKORKPID-SECBINFHSA-N 1 2 241.310 1.328 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@H](C)CCO)[nH+]1 ZINC000651471230 411050924 /nfs/dbraw/zinc/05/09/24/411050924.db2.gz NDNCZNQBTPMFID-MRVPVSSYSA-N 1 2 234.303 1.473 20 0 BDADLO Cc1cc(C[NH2+]CC(=O)NC2CCCC2)on1 ZINC000044991787 411142936 /nfs/dbraw/zinc/14/29/36/411142936.db2.gz CTMXSDCNERQCBE-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3cnccc3o2)CC(=O)N1 ZINC000651823168 411146144 /nfs/dbraw/zinc/14/61/44/411146144.db2.gz YXBKRMBPEYKDDH-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3cnccc3o2)CC(=O)N1 ZINC000651823168 411146145 /nfs/dbraw/zinc/14/61/45/411146145.db2.gz YXBKRMBPEYKDDH-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO CN(C[C@@H]1CCCOC1)c1cc(CO)cc[nH+]1 ZINC000111167676 411146690 /nfs/dbraw/zinc/14/66/90/411146690.db2.gz ZXRCMRATPDUTRB-LBPRGKRZSA-N 1 2 236.315 1.437 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N2CCCCC2)CCO1 ZINC000045752065 411148758 /nfs/dbraw/zinc/14/87/58/411148758.db2.gz DVFHCBSKJXAILZ-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N2CCCCC2)CCO1 ZINC000045752065 411148759 /nfs/dbraw/zinc/14/87/59/411148759.db2.gz DVFHCBSKJXAILZ-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000045753456 411148841 /nfs/dbraw/zinc/14/88/41/411148841.db2.gz CDOWPSNMNUXBEA-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000045753456 411148842 /nfs/dbraw/zinc/14/88/42/411148842.db2.gz CDOWPSNMNUXBEA-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CC)c2)[C@H](C)CO1 ZINC000651931431 411150737 /nfs/dbraw/zinc/15/07/37/411150737.db2.gz RZRWXHSKDGHZFE-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)[C@H](C)CO1 ZINC000651931431 411150738 /nfs/dbraw/zinc/15/07/38/411150738.db2.gz RZRWXHSKDGHZFE-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCO[C@@H]2C)c1 ZINC000652068784 411106654 /nfs/dbraw/zinc/10/66/54/411106654.db2.gz OZNJGGIUPUNFCT-MWLCHTKSSA-N 1 2 222.288 1.817 20 0 BDADLO COCc1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000043594469 411123435 /nfs/dbraw/zinc/12/34/35/411123435.db2.gz RFPNWRUDFRTAIH-LBPRGKRZSA-N 1 2 245.282 1.451 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccc(N)nc1 ZINC000111044483 411125054 /nfs/dbraw/zinc/12/50/54/411125054.db2.gz VZPIHFGQEMJXDJ-UHFFFAOYSA-N 1 2 228.255 1.620 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)Cc1ccncc1 ZINC000656106963 411179461 /nfs/dbraw/zinc/17/94/61/411179461.db2.gz DMYUIWMDOGSYGI-UHFFFAOYSA-N 1 2 244.298 1.825 20 0 BDADLO Cc1[nH+]cccc1N[C@H](C)Cn1cncn1 ZINC000657952534 411180087 /nfs/dbraw/zinc/18/00/87/411180087.db2.gz LXIWUEKIIDZCBG-SECBINFHSA-N 1 2 217.276 1.482 20 0 BDADLO COc1c(C)[nH+]cnc1NCCc1cnn(C)c1 ZINC000656110033 411180450 /nfs/dbraw/zinc/18/04/50/411180450.db2.gz QDVKDOJBKWDOTB-UHFFFAOYSA-N 1 2 247.302 1.182 20 0 BDADLO COc1c(C)[nH+]cnc1NC1CCOCC1 ZINC000656110355 411180517 /nfs/dbraw/zinc/18/05/17/411180517.db2.gz JOUGVDBEILNNPE-UHFFFAOYSA-N 1 2 223.276 1.385 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656125223 411183105 /nfs/dbraw/zinc/18/31/05/411183105.db2.gz BLWKPLDLYZTUTH-PSASIEDQSA-N 1 2 239.319 1.613 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](O)C(C)C ZINC000656128523 411183780 /nfs/dbraw/zinc/18/37/80/411183780.db2.gz WMTLJMSKIZFVTC-SECBINFHSA-N 1 2 225.292 1.222 20 0 BDADLO COc1c(C)[nH+]cnc1NCC(C)(C)OC ZINC000656128924 411184365 /nfs/dbraw/zinc/18/43/65/411184365.db2.gz LDQKNMKWBDJMTN-UHFFFAOYSA-N 1 2 225.292 1.631 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC(C2CC2)C1 ZINC000656135137 411184788 /nfs/dbraw/zinc/18/47/88/411184788.db2.gz GVFQFKNLPNBJQB-UHFFFAOYSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCc2c[nH]nc2C1 ZINC000656146856 411186260 /nfs/dbraw/zinc/18/62/60/411186260.db2.gz PBXDCTCAWPDVJM-LLVKDONJSA-N 1 2 243.314 1.786 20 0 BDADLO CC[C@@H]1CN(c2nc[nH+]c(C)c2OC)C[C@@H]1O ZINC000656150250 411187292 /nfs/dbraw/zinc/18/72/92/411187292.db2.gz QQBZSGSJOJMRFA-ZJUUUORDSA-N 1 2 237.303 1.001 20 0 BDADLO CC[C@@H]1CN(c2nc(C)[nH+]cc2C)C[C@@H]1O ZINC000656149962 411187424 /nfs/dbraw/zinc/18/74/24/411187424.db2.gz AMMXPGRXZQCAHJ-MNOVXSKESA-N 1 2 221.304 1.301 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812279 411189986 /nfs/dbraw/zinc/18/99/86/411189986.db2.gz HEPFFVORNMJRTD-LBPRGKRZSA-N 1 2 236.319 1.338 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812279 411189990 /nfs/dbraw/zinc/18/99/90/411189990.db2.gz HEPFFVORNMJRTD-LBPRGKRZSA-N 1 2 236.319 1.338 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812279 411189992 /nfs/dbraw/zinc/18/99/92/411189992.db2.gz HEPFFVORNMJRTD-LBPRGKRZSA-N 1 2 236.319 1.338 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812279 411189996 /nfs/dbraw/zinc/18/99/96/411189996.db2.gz HEPFFVORNMJRTD-LBPRGKRZSA-N 1 2 236.319 1.338 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H]1CCOC1 ZINC000656158132 411190573 /nfs/dbraw/zinc/19/05/73/411190573.db2.gz GLSSCDYBDJANEX-JTQLQIEISA-N 1 2 237.303 1.632 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@@H]1CCOC1 ZINC000656158133 411190666 /nfs/dbraw/zinc/19/06/66/411190666.db2.gz GLSSCDYBDJANEX-SNVBAGLBSA-N 1 2 237.303 1.632 20 0 BDADLO CCN1CCCN(c2nc(C)[nH+]cc2C)CC1=O ZINC000656181320 411193556 /nfs/dbraw/zinc/19/35/56/411193556.db2.gz XSHFWIUIJZPYLV-UHFFFAOYSA-N 1 2 248.330 1.152 20 0 BDADLO O=C1C[N@@H+]([C@@H]2CCCOC2)Cc2ccccc2N1 ZINC000653829912 411195407 /nfs/dbraw/zinc/19/54/07/411195407.db2.gz IILBHFNSLXHDMX-GFCCVEGCSA-N 1 2 246.310 1.620 20 0 BDADLO O=C1C[N@H+]([C@@H]2CCCOC2)Cc2ccccc2N1 ZINC000653829912 411195412 /nfs/dbraw/zinc/19/54/12/411195412.db2.gz IILBHFNSLXHDMX-GFCCVEGCSA-N 1 2 246.310 1.620 20 0 BDADLO C[C@H](O)C[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830789 411196009 /nfs/dbraw/zinc/19/60/09/411196009.db2.gz KGANEUNNVJFXNM-ZETCQYMHSA-N 1 2 213.227 1.661 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](C2CC2)C1 ZINC000656188660 411197178 /nfs/dbraw/zinc/19/71/78/411197178.db2.gz NRZGNELXJKPHBE-SNVBAGLBSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](C2CC2)C1 ZINC000656188660 411197182 /nfs/dbraw/zinc/19/71/82/411197182.db2.gz NRZGNELXJKPHBE-SNVBAGLBSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1=CCCOC1 ZINC000656188424 411197371 /nfs/dbraw/zinc/19/73/71/411197371.db2.gz RTSRBLIWZOUKFV-UHFFFAOYSA-N 1 2 235.287 1.552 20 0 BDADLO CCn1cc[nH+]c1CNc1ncnc(C)c1OC ZINC000656194060 411199899 /nfs/dbraw/zinc/19/98/99/411199899.db2.gz DKPIRXGNDAQZIG-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO CC(C)n1cc[nH+]c1CN(C)Cc1cnccn1 ZINC000177251233 167771651 /nfs/dbraw/zinc/77/16/51/167771651.db2.gz IKZVJNYZNYEDMD-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO CC(F)(F)C[NH2+][C@H]1CCCn2nccc21 ZINC000658024373 411201602 /nfs/dbraw/zinc/20/16/02/411201602.db2.gz XAHDTIARNZGUTH-QMMMGPOBSA-N 1 2 215.247 1.963 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N2CC(C)(C)C2)c2[nH+]ccn21 ZINC000656199211 411201718 /nfs/dbraw/zinc/20/17/18/411201718.db2.gz UICXHSQLXYXTKH-ZJUUUORDSA-N 1 2 248.330 1.940 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)CC(C)(C)O ZINC000656194685 411202162 /nfs/dbraw/zinc/20/21/62/411202162.db2.gz NXOYKJPRTFMTOY-QMMMGPOBSA-N 1 2 239.319 1.755 20 0 BDADLO COCC[C@@H](C)CNc1nc[nH+]c(C)c1OC ZINC000656202039 411206675 /nfs/dbraw/zinc/20/66/75/411206675.db2.gz QSGRGZWIQZNQTL-SECBINFHSA-N 1 2 239.319 1.878 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nc(C)no1)C1CC1 ZINC000653888386 411209322 /nfs/dbraw/zinc/20/93/22/411209322.db2.gz QDLZEDCAFFNXGC-SNVBAGLBSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nc(C)no1)C1CC1 ZINC000653888386 411209326 /nfs/dbraw/zinc/20/93/26/411209326.db2.gz QDLZEDCAFFNXGC-SNVBAGLBSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1noc(C[N@H+](C)CC[C@@H]2CCCCO2)n1 ZINC000653889064 411209904 /nfs/dbraw/zinc/20/99/04/411209904.db2.gz QEHFOKWAFKZZDC-NSHDSACASA-N 1 2 239.319 1.769 20 0 BDADLO Cc1noc(C[N@@H+](C)CC[C@@H]2CCCCO2)n1 ZINC000653889064 411209905 /nfs/dbraw/zinc/20/99/05/411209905.db2.gz QEHFOKWAFKZZDC-NSHDSACASA-N 1 2 239.319 1.769 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@@H]2C=CCCC2)n1 ZINC000653890681 411210835 /nfs/dbraw/zinc/21/08/35/411210835.db2.gz JMBZJGKTNQVVPZ-SNVBAGLBSA-N 1 2 207.277 1.919 20 0 BDADLO Cc1noc(C[N@H+](C)[C@@H]2C=CCCC2)n1 ZINC000653890681 411210837 /nfs/dbraw/zinc/21/08/37/411210837.db2.gz JMBZJGKTNQVVPZ-SNVBAGLBSA-N 1 2 207.277 1.919 20 0 BDADLO CCc1nnc(C[N@H+](C[C@@H](C)O)C2CC2)s1 ZINC000653902337 411217235 /nfs/dbraw/zinc/21/72/35/411217235.db2.gz QJMZTLREIYHVRG-MRVPVSSYSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)s1 ZINC000653902337 411217237 /nfs/dbraw/zinc/21/72/37/411217237.db2.gz QJMZTLREIYHVRG-MRVPVSSYSA-N 1 2 241.360 1.446 20 0 BDADLO CC(C)(C)c1nc(N[C@@H]2CCOC2)cc[nH+]1 ZINC000309719016 411218866 /nfs/dbraw/zinc/21/88/66/411218866.db2.gz ZYIYQZAJCRCOGL-SECBINFHSA-N 1 2 221.304 1.975 20 0 BDADLO Cn1cc[nH+]c1CSc1nnc2ccccn21 ZINC000048872572 411219732 /nfs/dbraw/zinc/21/97/32/411219732.db2.gz AMAUBCHTZRVNMK-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO CCn1nncc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265454 411220644 /nfs/dbraw/zinc/22/06/44/411220644.db2.gz NVQZUOFWIRTWTM-UHFFFAOYSA-N 1 2 228.246 1.139 20 0 BDADLO CCn1nnc(C)c1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265652 411221942 /nfs/dbraw/zinc/22/19/42/411221942.db2.gz ULQJLKXPYGGYTC-UHFFFAOYSA-N 1 2 242.273 1.447 20 0 BDADLO CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000049225862 411229396 /nfs/dbraw/zinc/22/93/96/411229396.db2.gz KXCIWSYQOPANLU-LLVKDONJSA-N 1 2 249.314 1.676 20 0 BDADLO CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000049225862 411229399 /nfs/dbraw/zinc/22/93/99/411229399.db2.gz KXCIWSYQOPANLU-LLVKDONJSA-N 1 2 249.314 1.676 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1[nH+]cccc1C(=O)[O-] ZINC000049237807 411229644 /nfs/dbraw/zinc/22/96/44/411229644.db2.gz FVYDQKSGWDCFPS-VIFPVBQESA-N 1 2 246.270 1.477 20 0 BDADLO CCCCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660105547 411232164 /nfs/dbraw/zinc/23/21/64/411232164.db2.gz ZNJICZHXSITQED-VIFPVBQESA-N 1 2 245.348 1.201 20 0 BDADLO CCc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)[nH]n1 ZINC000652410447 411233050 /nfs/dbraw/zinc/23/30/50/411233050.db2.gz KZWXXVJDOLENMG-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CC12CCC2)c1[nH]cc[nH+]1 ZINC000652411679 411233692 /nfs/dbraw/zinc/23/36/92/411233692.db2.gz CXKZLRFEIBDILY-VIFPVBQESA-N 1 2 233.315 1.951 20 0 BDADLO Cn1cc[nH+]c1-c1cccc(N2CCOCC2)c1 ZINC000656369643 411236881 /nfs/dbraw/zinc/23/68/81/411236881.db2.gz NLHWWKLDLDZVGE-UHFFFAOYSA-N 1 2 243.310 1.924 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@@H+]1CCOCC12CCC2 ZINC000660117114 411237944 /nfs/dbraw/zinc/23/79/44/411237944.db2.gz MCWKWOPAZCGOIC-JTQLQIEISA-N 1 2 247.285 1.666 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@H+]1CCOCC12CCC2 ZINC000660117114 411237949 /nfs/dbraw/zinc/23/79/49/411237949.db2.gz MCWKWOPAZCGOIC-JTQLQIEISA-N 1 2 247.285 1.666 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660159694 411270967 /nfs/dbraw/zinc/27/09/67/411270967.db2.gz WXEQCIIMXXXXRY-NXEZZACHSA-N 1 2 208.309 1.325 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660159694 411270968 /nfs/dbraw/zinc/27/09/68/411270968.db2.gz WXEQCIIMXXXXRY-NXEZZACHSA-N 1 2 208.309 1.325 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnc(COC)[nH]1)C1CC1 ZINC000658159005 411271031 /nfs/dbraw/zinc/27/10/31/411271031.db2.gz LZTWNWMTSHWZOW-SECBINFHSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)[nH]1 ZINC000658158304 411271191 /nfs/dbraw/zinc/27/11/91/411271191.db2.gz XWFGTNJQJWIFAT-HRDYMLBCSA-N 1 2 224.308 1.085 20 0 BDADLO CCc1ccncc1NC(=O)Cn1cc[nH+]c1 ZINC000652896749 411271933 /nfs/dbraw/zinc/27/19/33/411271933.db2.gz YNHAJXQJDURPQD-UHFFFAOYSA-N 1 2 230.271 1.479 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC(C)(C)C2)[nH]1 ZINC000658159035 411272587 /nfs/dbraw/zinc/27/25/87/411272587.db2.gz MPSYECDJDUBSFI-SECBINFHSA-N 1 2 238.335 1.619 20 0 BDADLO Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000656471875 411276970 /nfs/dbraw/zinc/27/69/70/411276970.db2.gz LBVHCVDYWHKCNX-GFCCVEGCSA-N 1 2 243.310 1.337 20 0 BDADLO Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000656471875 411276973 /nfs/dbraw/zinc/27/69/73/411276973.db2.gz LBVHCVDYWHKCNX-GFCCVEGCSA-N 1 2 243.310 1.337 20 0 BDADLO Cn1cc(C[NH+]2CC(CC(F)(F)F)C2)cn1 ZINC000656686060 411328169 /nfs/dbraw/zinc/32/81/69/411328169.db2.gz WZZFZEJDLPIAIG-UHFFFAOYSA-N 1 2 233.237 1.804 20 0 BDADLO CC[C@H]([NH2+]Cc1cn(CC)nn1)c1ccn(C)n1 ZINC000658176379 411283043 /nfs/dbraw/zinc/28/30/43/411283043.db2.gz LYJDGLCHVQCEEO-NSHDSACASA-N 1 2 248.334 1.272 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000656534167 411290402 /nfs/dbraw/zinc/29/04/02/411290402.db2.gz FDHHHPACXUTRMH-PRJMDXOYSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000656534167 411290405 /nfs/dbraw/zinc/29/04/05/411290405.db2.gz FDHHHPACXUTRMH-PRJMDXOYSA-N 1 2 227.226 1.019 20 0 BDADLO CO[C@@]1(CNc2c[nH+]cc(C)c2)CCOC1 ZINC000653470065 411291756 /nfs/dbraw/zinc/29/17/56/411291756.db2.gz SRHVZJWYFOKDRR-GFCCVEGCSA-N 1 2 222.288 1.607 20 0 BDADLO CC[C@H](NC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000656554852 411303234 /nfs/dbraw/zinc/30/32/34/411303234.db2.gz QQGYZEZYWPFTGR-NSHDSACASA-N 1 2 236.319 1.371 20 0 BDADLO CCCCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660243989 411304632 /nfs/dbraw/zinc/30/46/32/411304632.db2.gz CCXQVSVGKQGOEA-JTQLQIEISA-N 1 2 238.335 1.971 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)o2)C1=O ZINC000659826670 411309023 /nfs/dbraw/zinc/30/90/23/411309023.db2.gz KADMXXTXZSZOBB-LBPRGKRZSA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)o2)C1=O ZINC000659826670 411309024 /nfs/dbraw/zinc/30/90/24/411309024.db2.gz KADMXXTXZSZOBB-LBPRGKRZSA-N 1 2 236.315 1.641 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000661767129 411309574 /nfs/dbraw/zinc/30/95/74/411309574.db2.gz JKOBESSRCVZWGF-GZMMTYOYSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nn(C)cc1Cl ZINC000661767129 411309579 /nfs/dbraw/zinc/30/95/79/411309579.db2.gz JKOBESSRCVZWGF-GZMMTYOYSA-N 1 2 243.738 1.419 20 0 BDADLO Cc1cc(C[N@H+](C)CCO[C@@H]2CC2(F)F)no1 ZINC000659837805 411316891 /nfs/dbraw/zinc/31/68/91/411316891.db2.gz JBGGJPLFUWHETQ-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cc(C[N@@H+](C)CCO[C@@H]2CC2(F)F)no1 ZINC000659837805 411316893 /nfs/dbraw/zinc/31/68/93/411316893.db2.gz JBGGJPLFUWHETQ-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000336711186 411332137 /nfs/dbraw/zinc/33/21/37/411332137.db2.gz PMWOIWQGHVETBG-IUCAKERBSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000336711186 411332143 /nfs/dbraw/zinc/33/21/43/411332143.db2.gz PMWOIWQGHVETBG-IUCAKERBSA-N 1 2 239.319 1.975 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)COCC2CC2)c[nH+]1 ZINC000652907294 411320042 /nfs/dbraw/zinc/32/00/42/411320042.db2.gz HVFXANWSCUBICA-QMMMGPOBSA-N 1 2 237.303 1.263 20 0 BDADLO COCCOCC[N@H+](C)Cc1coc(C)n1 ZINC000660562714 411322169 /nfs/dbraw/zinc/32/21/69/411322169.db2.gz NLFQHBFJHNEAID-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO COCCOCC[N@@H+](C)Cc1coc(C)n1 ZINC000660562714 411322171 /nfs/dbraw/zinc/32/21/71/411322171.db2.gz NLFQHBFJHNEAID-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO CC(F)(F)CN[C@H]1CCCn2cc[nH+]c21 ZINC000655770869 411252782 /nfs/dbraw/zinc/25/27/82/411252782.db2.gz SLRLVWPJQUAPME-QMMMGPOBSA-N 1 2 215.247 1.963 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)n1 ZINC000656683472 411326559 /nfs/dbraw/zinc/32/65/59/411326559.db2.gz LXFVHWFFCOZMNH-POYBYMJQSA-N 1 2 247.245 1.453 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CC[C@@H](C)SC2 ZINC000653476509 411326700 /nfs/dbraw/zinc/32/67/00/411326700.db2.gz IRQYCKLHBCVRAF-BXKDBHETSA-N 1 2 242.388 1.829 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C[C@@](C)(O)C(F)(F)F ZINC000660142759 411258319 /nfs/dbraw/zinc/25/83/19/411258319.db2.gz JGMWNJZAHKMLQU-MRVPVSSYSA-N 1 2 237.225 1.155 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC3(COC3)C2)o1 ZINC000662076034 411358066 /nfs/dbraw/zinc/35/80/66/411358066.db2.gz QRMQJBAMBJXIAS-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC3(COC3)C2)o1 ZINC000662076034 411358070 /nfs/dbraw/zinc/35/80/70/411358070.db2.gz QRMQJBAMBJXIAS-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO C[C@@H]1CSCCN1c1cc(CO)cc[nH+]1 ZINC000069761354 411360531 /nfs/dbraw/zinc/36/05/31/411360531.db2.gz IFXNGHUNASQNFI-SECBINFHSA-N 1 2 224.329 1.516 20 0 BDADLO CCc1cc(N[C@@H]2COCC2(C)C)nc[nH+]1 ZINC000313018818 411368399 /nfs/dbraw/zinc/36/83/99/411368399.db2.gz JUVUJAMSARSMST-SNVBAGLBSA-N 1 2 221.304 1.876 20 0 BDADLO COc1ccncc1CN1CCn2c[nH+]cc2C1 ZINC000660583162 411336529 /nfs/dbraw/zinc/33/65/29/411336529.db2.gz HEHLVFVUYHXWAJ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(=O)CC23CCC3)ncn1 ZINC000653765183 411345781 /nfs/dbraw/zinc/34/57/81/411345781.db2.gz HEEMBDOJIAEEDU-UHFFFAOYSA-N 1 2 245.326 1.873 20 0 BDADLO Cc1cc(C[N@H+]2CCC(=O)CC23CCC3)ncn1 ZINC000653765183 411345784 /nfs/dbraw/zinc/34/57/84/411345784.db2.gz HEEMBDOJIAEEDU-UHFFFAOYSA-N 1 2 245.326 1.873 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nccn2C)nn1C ZINC000658338758 411346353 /nfs/dbraw/zinc/34/63/53/411346353.db2.gz KUPSOWFCTZJMFV-GHMZBOCLSA-N 1 2 247.346 1.874 20 0 BDADLO Cc1cc([C@@H](C)N[C@H](C)c2[nH+]ccn2C)nn1C ZINC000658338758 411346357 /nfs/dbraw/zinc/34/63/57/411346357.db2.gz KUPSOWFCTZJMFV-GHMZBOCLSA-N 1 2 247.346 1.874 20 0 BDADLO CC(C)(C(=O)NCC1(C)CC1)[NH+]1CCOCC1 ZINC000338227384 168027916 /nfs/dbraw/zinc/02/79/16/168027916.db2.gz UKGPWFJWRUJKCF-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO O[C@H]1C[C@H]([NH2+][C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000658347729 411347856 /nfs/dbraw/zinc/34/78/56/411347856.db2.gz GKRGDUVXIMPJKO-SRVKXCTJSA-N 1 2 244.298 1.007 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000125803477 168058497 /nfs/dbraw/zinc/05/84/97/168058497.db2.gz PJLBFCWJRLXQIG-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CC1(O)CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000294922995 168066947 /nfs/dbraw/zinc/06/69/47/168066947.db2.gz UAEHOJBOUPKUDY-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO CC1=C(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000333208927 168077505 /nfs/dbraw/zinc/07/75/05/168077505.db2.gz BESKQCCWOZLXQL-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO CC1=CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000280682236 168094163 /nfs/dbraw/zinc/09/41/63/168094163.db2.gz NICJOAWVKWLSAG-UHFFFAOYSA-N 1 2 205.261 1.062 20 0 BDADLO CC1=CCCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000280614721 168095923 /nfs/dbraw/zinc/09/59/23/168095923.db2.gz QTXMYTKGLPZZBD-LBPRGKRZSA-N 1 2 248.330 1.633 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000336402475 168096692 /nfs/dbraw/zinc/09/66/92/168096692.db2.gz HNFVLEODICDXCM-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO CC1=CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000280726026 168098372 /nfs/dbraw/zinc/09/83/72/168098372.db2.gz GHEJLDQDQNPYHM-UHFFFAOYSA-N 1 2 211.305 1.980 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000280726026 168098373 /nfs/dbraw/zinc/09/83/73/168098373.db2.gz GHEJLDQDQNPYHM-UHFFFAOYSA-N 1 2 211.305 1.980 20 0 BDADLO CC1=CC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC000270387492 168114495 /nfs/dbraw/zinc/11/44/95/168114495.db2.gz XLXJHQGQUUPYQM-UHFFFAOYSA-N 1 2 219.292 1.160 20 0 BDADLO CC1=CC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC000270387492 168114498 /nfs/dbraw/zinc/11/44/98/168114498.db2.gz XLXJHQGQUUPYQM-UHFFFAOYSA-N 1 2 219.292 1.160 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC=C(C)CC2)[nH]1 ZINC000336279090 168118207 /nfs/dbraw/zinc/11/82/07/168118207.db2.gz CHNSHFVMOSVGAC-SECBINFHSA-N 1 2 206.293 1.826 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(C)CC2)[nH]1 ZINC000336279090 168118208 /nfs/dbraw/zinc/11/82/08/168118208.db2.gz CHNSHFVMOSVGAC-SECBINFHSA-N 1 2 206.293 1.826 20 0 BDADLO CC1CC(NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000267698808 168142359 /nfs/dbraw/zinc/14/23/59/168142359.db2.gz RMMLPEPVKITSIS-UHFFFAOYSA-N 1 2 236.319 1.371 20 0 BDADLO C[N@H+](Cc1nnn(C(C)(C)C)n1)C1CCCC1 ZINC000653484899 411376157 /nfs/dbraw/zinc/37/61/57/411376157.db2.gz KRBBBULDSLYIEF-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO C[N@@H+](Cc1nnn(C(C)(C)C)n1)C1CCCC1 ZINC000653484899 411376159 /nfs/dbraw/zinc/37/61/59/411376159.db2.gz KRBBBULDSLYIEF-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2ccncc2O)CC1 ZINC000134041176 168179700 /nfs/dbraw/zinc/17/97/00/168179700.db2.gz GDBXLUWWFYVYPD-UHFFFAOYSA-N 1 2 249.314 1.458 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000370204492 168203832 /nfs/dbraw/zinc/20/38/32/168203832.db2.gz QQFKFXFJPWBEBH-MEBBXXQBSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000370204492 168203834 /nfs/dbraw/zinc/20/38/34/168203834.db2.gz QQFKFXFJPWBEBH-MEBBXXQBSA-N 1 2 231.361 1.199 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)[C@H]1COC(C)(C)C1 ZINC000659919473 411382461 /nfs/dbraw/zinc/38/24/61/411382461.db2.gz HTIQXKVHHXYQFQ-SNVBAGLBSA-N 1 2 209.293 1.409 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)[C@H]1COC(C)(C)C1 ZINC000659919473 411382464 /nfs/dbraw/zinc/38/24/64/411382464.db2.gz HTIQXKVHHXYQFQ-SNVBAGLBSA-N 1 2 209.293 1.409 20 0 BDADLO CCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363320899 168233393 /nfs/dbraw/zinc/23/33/93/168233393.db2.gz JYDJURSGFJMKIT-UHFFFAOYSA-N 1 2 230.271 1.294 20 0 BDADLO CCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000028833595 168235020 /nfs/dbraw/zinc/23/50/20/168235020.db2.gz HMLKQJLZKSZIBG-UHFFFAOYSA-N 1 2 203.245 1.361 20 0 BDADLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000123003162 168240008 /nfs/dbraw/zinc/24/00/08/168240008.db2.gz XNOZEORQFSQEGY-JTQLQIEISA-N 1 2 237.303 1.165 20 0 BDADLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000123003162 168240009 /nfs/dbraw/zinc/24/00/09/168240009.db2.gz XNOZEORQFSQEGY-JTQLQIEISA-N 1 2 237.303 1.165 20 0 BDADLO Cc1[nH]c(C(=O)NC2CC3(CCC3)C2)c[nH+]1 ZINC000652972066 411386599 /nfs/dbraw/zinc/38/65/99/411386599.db2.gz OVMBQCOAGQKWDK-UHFFFAOYSA-N 1 2 219.288 1.781 20 0 BDADLO CCC(C)(C)CNC(=O)CCc1c[nH+]cn1C ZINC000281412425 168277858 /nfs/dbraw/zinc/27/78/58/168277858.db2.gz AHUBPIYCBKHTNJ-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CCC(C)(CC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000360225895 168309417 /nfs/dbraw/zinc/30/94/17/168309417.db2.gz STBAAFAANUKGGM-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1cncc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000654866206 411457765 /nfs/dbraw/zinc/45/77/65/411457765.db2.gz JKRKMJGLBJWJGD-UHFFFAOYSA-N 1 2 233.315 1.670 20 0 BDADLO O=C(C1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000065164079 411459836 /nfs/dbraw/zinc/45/98/36/411459836.db2.gz PONMFVRSDFIWPL-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO O=C(C1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000065164079 411459839 /nfs/dbraw/zinc/45/98/39/411459839.db2.gz PONMFVRSDFIWPL-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO COc1nccnc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657224051 411419555 /nfs/dbraw/zinc/41/95/55/411419555.db2.gz CUFXYDDHQQCMSK-PWSUYJOCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1nccnc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657224051 411419556 /nfs/dbraw/zinc/41/95/56/411419556.db2.gz CUFXYDDHQQCMSK-PWSUYJOCSA-N 1 2 249.314 1.096 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCC3(F)F)C2)nn1C ZINC000414450868 411419976 /nfs/dbraw/zinc/41/99/76/411419976.db2.gz HSAYNQKJSYNNMU-UHFFFAOYSA-N 1 2 241.285 1.960 20 0 BDADLO Cc1nonc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000271430513 411429509 /nfs/dbraw/zinc/42/95/09/411429509.db2.gz SVYBCVABDRPCOY-JTQLQIEISA-N 1 2 232.287 1.966 20 0 BDADLO Cc1nonc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000271430513 411429510 /nfs/dbraw/zinc/42/95/10/411429510.db2.gz SVYBCVABDRPCOY-JTQLQIEISA-N 1 2 232.287 1.966 20 0 BDADLO COCCO[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC000660372116 411442773 /nfs/dbraw/zinc/44/27/73/411442773.db2.gz LZZYYVICTZNRAM-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COCCO[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC000660372116 411442775 /nfs/dbraw/zinc/44/27/75/411442775.db2.gz LZZYYVICTZNRAM-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CC[C@@](C)(CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000654775245 411443737 /nfs/dbraw/zinc/44/37/37/411443737.db2.gz CFOYLQXHWBUNMM-ZDUSSCGKSA-N 1 2 247.298 1.681 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C1CC1 ZINC000654829113 411452055 /nfs/dbraw/zinc/45/20/55/411452055.db2.gz XQWODDBHVRINOV-SECBINFHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C1CC1 ZINC000654829113 411452057 /nfs/dbraw/zinc/45/20/57/411452057.db2.gz XQWODDBHVRINOV-SECBINFHSA-N 1 2 235.331 1.893 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nccn1C(C)C ZINC000657292550 411453742 /nfs/dbraw/zinc/45/37/42/411453742.db2.gz MTJOKDJDKHDNDP-SNVBAGLBSA-N 1 2 238.335 1.078 20 0 BDADLO Cc1cc(CNCc2[nH]c(C)c(C)[nH+]2)no1 ZINC000657329354 411467457 /nfs/dbraw/zinc/46/74/57/411467457.db2.gz LJLOGMODMAWNSX-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO Cc1c[nH+]c(CNCc2cn3ccsc3n2)[nH]1 ZINC000657331947 411468773 /nfs/dbraw/zinc/46/87/73/411468773.db2.gz WCIVDGFGGSFLIN-UHFFFAOYSA-N 1 2 247.327 1.717 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)on1 ZINC000657347539 411475149 /nfs/dbraw/zinc/47/51/49/411475149.db2.gz BBTNIRVQFVMTDU-UHFFFAOYSA-N 1 2 247.302 1.589 20 0 BDADLO Cc1nocc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000295440422 411478050 /nfs/dbraw/zinc/47/80/50/411478050.db2.gz ULKJNJFPHXGDIW-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nocc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000295440422 411478053 /nfs/dbraw/zinc/47/80/53/411478053.db2.gz ULKJNJFPHXGDIW-NWDGAFQWSA-N 1 2 249.314 1.226 20 0 BDADLO CCn1cc(C[NH2+]Cc2nccn2C(C)C)cn1 ZINC000657366855 411479425 /nfs/dbraw/zinc/47/94/25/411479425.db2.gz NPZZKXUVHCSDBZ-UHFFFAOYSA-N 1 2 247.346 1.970 20 0 BDADLO Cc1cccn2cc(CN3CCOC[C@@H]3C)[nH+]c12 ZINC000051687475 411481173 /nfs/dbraw/zinc/48/11/73/411481173.db2.gz VJCTVPQYEXOMLU-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000657364759 411481722 /nfs/dbraw/zinc/48/17/22/411481722.db2.gz ZRHKDCVEEHMYNF-LBPRGKRZSA-N 1 2 231.299 1.541 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@H]1COC(C)(C)C1)C2 ZINC000659865870 411482839 /nfs/dbraw/zinc/48/28/39/411482839.db2.gz NWWUYCLEOWVJNO-GFCCVEGCSA-N 1 2 249.358 1.883 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccon1 ZINC000657382882 411487989 /nfs/dbraw/zinc/48/79/89/411487989.db2.gz FRBSOTVJBPNBGZ-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CF)ccn12 ZINC000655079532 411491126 /nfs/dbraw/zinc/49/11/26/411491126.db2.gz CYWDRBGNXMBZOT-QMMMGPOBSA-N 1 2 235.262 1.731 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C2CC2)C1 ZINC000655098074 411495304 /nfs/dbraw/zinc/49/53/04/411495304.db2.gz LLNWITFEOFJGJB-SECBINFHSA-N 1 2 233.315 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C2CC2)C1 ZINC000655098074 411495307 /nfs/dbraw/zinc/49/53/07/411495307.db2.gz LLNWITFEOFJGJB-SECBINFHSA-N 1 2 233.315 1.457 20 0 BDADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)C1CCCC1 ZINC000655106869 411496111 /nfs/dbraw/zinc/49/61/11/411496111.db2.gz VPAPXFWXTNCFSL-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cccnc1 ZINC000655126689 411499717 /nfs/dbraw/zinc/49/97/17/411499717.db2.gz ZNOSSLLLNMDDSW-UHFFFAOYSA-N 1 2 230.271 1.228 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCC(F)F ZINC000655126429 411499831 /nfs/dbraw/zinc/49/98/31/411499831.db2.gz QGPYQTLCQQNWIO-UHFFFAOYSA-N 1 2 231.246 1.565 20 0 BDADLO Cc1[nH]c(CNCc2cc(C)ncn2)[nH+]c1C ZINC000657419166 411502460 /nfs/dbraw/zinc/50/24/60/411502460.db2.gz RDTBBHGMNFRTHV-UHFFFAOYSA-N 1 2 231.303 1.415 20 0 BDADLO Cc1c[nH]c(CNc2cnn(C)c2C)[nH+]1 ZINC000657426714 411504076 /nfs/dbraw/zinc/50/40/76/411504076.db2.gz JAQLTEXYJHQCCI-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342133349 411504486 /nfs/dbraw/zinc/50/44/86/411504486.db2.gz DMOJHJTXRGGNNA-GARJFASQSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342133349 411504491 /nfs/dbraw/zinc/50/44/91/411504491.db2.gz DMOJHJTXRGGNNA-GARJFASQSA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)([NH2+]Cc1cnn2c1CCC2)C(F)F ZINC000657453441 411514441 /nfs/dbraw/zinc/51/44/41/411514441.db2.gz YJIDWZGVZDNRQX-UHFFFAOYSA-N 1 2 229.274 1.963 20 0 BDADLO CCN1OC[C@H]([N@@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000659985612 411519824 /nfs/dbraw/zinc/51/98/24/411519824.db2.gz NXOSZSCDBSRBGB-STQMWFEESA-N 1 2 246.310 1.596 20 0 BDADLO CCN1OC[C@H]([N@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000659985612 411519826 /nfs/dbraw/zinc/51/98/26/411519826.db2.gz NXOSZSCDBSRBGB-STQMWFEESA-N 1 2 246.310 1.596 20 0 BDADLO Cc1c[nH]c(CNCc2ncnn2C(C)(C)C)[nH+]1 ZINC000657458333 411522511 /nfs/dbraw/zinc/52/25/11/411522511.db2.gz ADHVQOVNYLWYNK-UHFFFAOYSA-N 1 2 248.334 1.354 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2snnc2C)n1 ZINC000657471617 411522953 /nfs/dbraw/zinc/52/29/53/411522953.db2.gz AJTRFMWONMCMER-UHFFFAOYSA-N 1 2 223.305 1.168 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC1CC1 ZINC000654933238 411464792 /nfs/dbraw/zinc/46/47/92/411464792.db2.gz XALHNBHNLQPQRF-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC1CC1 ZINC000654933238 411464793 /nfs/dbraw/zinc/46/47/93/411464793.db2.gz XALHNBHNLQPQRF-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC(C)(C)C ZINC000362041832 170002222 /nfs/dbraw/zinc/00/22/22/170002222.db2.gz APXAEDMOWIQAIH-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC(C)(C)C ZINC000362041832 170002223 /nfs/dbraw/zinc/00/22/23/170002223.db2.gz APXAEDMOWIQAIH-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000371808684 170005436 /nfs/dbraw/zinc/00/54/36/170005436.db2.gz KBDVKZBMYARHMF-SECBINFHSA-N 1 2 225.292 1.586 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000371808684 170005437 /nfs/dbraw/zinc/00/54/37/170005437.db2.gz KBDVKZBMYARHMF-SECBINFHSA-N 1 2 225.292 1.586 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC[C@@H](C)O)[C@@H](C)C1 ZINC000336770815 170036189 /nfs/dbraw/zinc/03/61/89/170036189.db2.gz VYXGUDGYIZSWNI-TUAOUCFPSA-N 1 2 214.353 1.077 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cccnc2)on1 ZINC000660126495 411541794 /nfs/dbraw/zinc/54/17/94/411541794.db2.gz QRXJAQNZDUEXFK-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cccnc2)on1 ZINC000660126495 411541796 /nfs/dbraw/zinc/54/17/96/411541796.db2.gz QRXJAQNZDUEXFK-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ncccc1C ZINC000093158116 170057365 /nfs/dbraw/zinc/05/73/65/170057365.db2.gz XDJNBYVNRAJPOP-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ncccc1C ZINC000093158116 170057367 /nfs/dbraw/zinc/05/73/67/170057367.db2.gz XDJNBYVNRAJPOP-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO Cc1nc(CN(C)Cc2[nH+]ccn2C)c(C)o1 ZINC000660136377 411542684 /nfs/dbraw/zinc/54/26/84/411542684.db2.gz KGECFYACODPBFB-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO CCNC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000273052283 170061458 /nfs/dbraw/zinc/06/14/58/170061458.db2.gz YRJNSECQKAUBLB-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000273052283 170061459 /nfs/dbraw/zinc/06/14/59/170061459.db2.gz YRJNSECQKAUBLB-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)C[N@@H+]1CC[C@H]1c1ccccc1F ZINC000374036945 170061718 /nfs/dbraw/zinc/06/17/18/170061718.db2.gz IYWKDYJKZBDCML-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)C[N@H+]1CC[C@H]1c1ccccc1F ZINC000374036945 170061720 /nfs/dbraw/zinc/06/17/20/170061720.db2.gz IYWKDYJKZBDCML-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000352308672 170071034 /nfs/dbraw/zinc/07/10/34/170071034.db2.gz YXMMBMIVSWGFBZ-UHFFFAOYSA-N 1 2 243.310 1.610 20 0 BDADLO Cc1cnc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000660140853 411543836 /nfs/dbraw/zinc/54/38/36/411543836.db2.gz AYYMUTKZDJIZAX-SNVBAGLBSA-N 1 2 231.303 1.701 20 0 BDADLO CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000263722016 170072988 /nfs/dbraw/zinc/07/29/88/170072988.db2.gz DNSUVJMXTBASRA-UHFFFAOYSA-N 1 2 222.292 1.250 20 0 BDADLO CCNC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000152506467 170075430 /nfs/dbraw/zinc/07/54/30/170075430.db2.gz BVFURSSUTRSGAN-JTQLQIEISA-N 1 2 249.318 1.001 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000289971627 170095685 /nfs/dbraw/zinc/09/56/85/170095685.db2.gz XJWPOTIXTJUTQY-BDAKNGLRSA-N 1 2 225.292 1.158 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000070733297 170096093 /nfs/dbraw/zinc/09/60/93/170096093.db2.gz IWOKPYXENUVUIO-JGVFFNPUSA-N 1 2 227.333 1.318 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070733295 170096120 /nfs/dbraw/zinc/09/61/20/170096120.db2.gz IWOKPYXENUVUIO-YUMQZZPRSA-N 1 2 227.333 1.318 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2csnn2)CO1 ZINC000657497349 411536984 /nfs/dbraw/zinc/53/69/84/411536984.db2.gz WABDXYHLRQHWPF-IWSPIJDZSA-N 1 2 227.333 1.756 20 0 BDADLO CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339243101 170097986 /nfs/dbraw/zinc/09/79/86/170097986.db2.gz VZSKFBWNXWBCBC-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339243101 170097987 /nfs/dbraw/zinc/09/79/87/170097987.db2.gz VZSKFBWNXWBCBC-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265768625 170103401 /nfs/dbraw/zinc/10/34/01/170103401.db2.gz NSYROGGEFQUROP-UHFFFAOYSA-N 1 2 248.326 1.269 20 0 BDADLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)nc1 ZINC000657568950 411553552 /nfs/dbraw/zinc/55/35/52/411553552.db2.gz LSZQHMUUVQSZGF-CMPLNLGQSA-N 1 2 243.314 1.777 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn(C)cn2)C[C@H]1F ZINC000660219376 411555517 /nfs/dbraw/zinc/55/55/17/411555517.db2.gz CGIUQJNRUAHKLF-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn(C)cn2)C[C@H]1F ZINC000660219376 411555518 /nfs/dbraw/zinc/55/55/18/411555518.db2.gz CGIUQJNRUAHKLF-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CCN(Cc2cn(C)c[nH+]2)C[C@H]1F ZINC000660219376 411555519 /nfs/dbraw/zinc/55/55/19/411555519.db2.gz CGIUQJNRUAHKLF-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CC=CCC2)[nH]1 ZINC000660221513 411556127 /nfs/dbraw/zinc/55/61/27/411556127.db2.gz QYKCODXMYAHEBJ-SECBINFHSA-N 1 2 206.293 1.690 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CC=CCC2)[nH]1 ZINC000660221513 411556128 /nfs/dbraw/zinc/55/61/28/411556128.db2.gz QYKCODXMYAHEBJ-SECBINFHSA-N 1 2 206.293 1.690 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000660234648 411556198 /nfs/dbraw/zinc/55/61/98/411556198.db2.gz KOMZPGHMLMVLMU-JTQLQIEISA-N 1 2 245.273 1.624 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000660234648 411556199 /nfs/dbraw/zinc/55/61/99/411556199.db2.gz KOMZPGHMLMVLMU-JTQLQIEISA-N 1 2 245.273 1.624 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@@H]2C)c(C)o1 ZINC000660144983 411545635 /nfs/dbraw/zinc/54/56/35/411545635.db2.gz KPFMSGDSBCPHBH-QMMMGPOBSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c(C)o1 ZINC000660144983 411545637 /nfs/dbraw/zinc/54/56/37/411545637.db2.gz KPFMSGDSBCPHBH-QMMMGPOBSA-N 1 2 237.303 1.002 20 0 BDADLO CCOC(=O)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000109824658 170192958 /nfs/dbraw/zinc/19/29/58/170192958.db2.gz SEUAIZXIDYXLQM-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000109824658 170192959 /nfs/dbraw/zinc/19/29/59/170192959.db2.gz SEUAIZXIDYXLQM-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353202591 170206325 /nfs/dbraw/zinc/20/63/25/170206325.db2.gz LTSBHCHRIYVHBD-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353202591 170206326 /nfs/dbraw/zinc/20/63/26/170206326.db2.gz LTSBHCHRIYVHBD-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)CCNc1cc(C)[nH+]cn1 ZINC000041676473 170210345 /nfs/dbraw/zinc/21/03/45/170210345.db2.gz OEBQMWGHRQKWQJ-UHFFFAOYSA-N 1 2 209.249 1.150 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000042372228 170214490 /nfs/dbraw/zinc/21/44/90/170214490.db2.gz HHMBRJLENVZAFN-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000042372228 170214491 /nfs/dbraw/zinc/21/44/91/170214491.db2.gz HHMBRJLENVZAFN-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOCC1CCC1 ZINC000341674433 170214722 /nfs/dbraw/zinc/21/47/22/170214722.db2.gz IDOTWNQOPGWILN-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOCC1CCC1 ZINC000341674433 170214723 /nfs/dbraw/zinc/21/47/23/170214723.db2.gz IDOTWNQOPGWILN-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ccccn1 ZINC000020361068 170214739 /nfs/dbraw/zinc/21/47/39/170214739.db2.gz FCTZCSGDBDLOAK-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ccccn1 ZINC000020361068 170214741 /nfs/dbraw/zinc/21/47/41/170214741.db2.gz FCTZCSGDBDLOAK-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](O)CCC(C)C ZINC000361267113 170215169 /nfs/dbraw/zinc/21/51/69/170215169.db2.gz QNDHLFDXJSMKJF-LLVKDONJSA-N 1 2 231.336 1.278 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](O)CCC(C)C ZINC000361267113 170215171 /nfs/dbraw/zinc/21/51/71/170215171.db2.gz QNDHLFDXJSMKJF-LLVKDONJSA-N 1 2 231.336 1.278 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccccc1 ZINC000020360838 170215231 /nfs/dbraw/zinc/21/52/31/170215231.db2.gz QXCRMVOWILEYQF-UHFFFAOYSA-N 1 2 207.273 1.682 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000020360838 170215233 /nfs/dbraw/zinc/21/52/33/170215233.db2.gz QXCRMVOWILEYQF-UHFFFAOYSA-N 1 2 207.273 1.682 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000042469189 170216825 /nfs/dbraw/zinc/21/68/25/170216825.db2.gz ZNKKVLLRWGPLQD-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000042469189 170216826 /nfs/dbraw/zinc/21/68/26/170216826.db2.gz ZNKKVLLRWGPLQD-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccn(C)c1)C1CC1 ZINC000091773059 170217616 /nfs/dbraw/zinc/21/76/16/170217616.db2.gz YEFGSTPCJFTLQD-UHFFFAOYSA-N 1 2 236.315 1.553 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccn(C)c1)C1CC1 ZINC000091773059 170217617 /nfs/dbraw/zinc/21/76/17/170217617.db2.gz YEFGSTPCJFTLQD-UHFFFAOYSA-N 1 2 236.315 1.553 20 0 BDADLO CCOC(=O)CN(Cc1[nH+]ccn1C)C(C)C ZINC000050055673 170218189 /nfs/dbraw/zinc/21/81/89/170218189.db2.gz IGQAIQFVNFEOFO-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191615622 170218934 /nfs/dbraw/zinc/21/89/34/170218934.db2.gz GGQFHKFWYOTJCD-UHFFFAOYSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364334332 170220222 /nfs/dbraw/zinc/22/02/22/170220222.db2.gz FKVYIMBPJDYAAK-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CCOC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000364334332 170220223 /nfs/dbraw/zinc/22/02/23/170220223.db2.gz FKVYIMBPJDYAAK-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361362847 170221367 /nfs/dbraw/zinc/22/13/67/170221367.db2.gz CWGTXQVETSUZGO-ZDUSSCGKSA-N 1 2 249.310 1.703 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000361362847 170221368 /nfs/dbraw/zinc/22/13/68/170221368.db2.gz CWGTXQVETSUZGO-ZDUSSCGKSA-N 1 2 249.310 1.703 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000660251643 411559962 /nfs/dbraw/zinc/55/99/62/411559962.db2.gz IEOLATBNPKHGOI-MRVPVSSYSA-N 1 2 222.292 1.350 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000660251643 411559964 /nfs/dbraw/zinc/55/99/64/411559964.db2.gz IEOLATBNPKHGOI-MRVPVSSYSA-N 1 2 222.292 1.350 20 0 BDADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CCO ZINC000179229897 170256726 /nfs/dbraw/zinc/25/67/26/170256726.db2.gz XCAZIMSSAIUJRU-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCO ZINC000179229897 170256728 /nfs/dbraw/zinc/25/67/28/170256728.db2.gz XCAZIMSSAIUJRU-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO OC/C=C/C[NH2+]Cc1ncc(Cl)s1 ZINC000657594754 411560861 /nfs/dbraw/zinc/56/08/61/411560861.db2.gz UAUIXSLFUOIDTR-OWOJBTEDSA-N 1 2 218.709 1.435 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CC[C@H](C)C2)[nH]1 ZINC000657607063 411561044 /nfs/dbraw/zinc/56/10/44/411561044.db2.gz AFLXGTHYHUVQIW-DTWKUNHWSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2occc2C)n1 ZINC000657607127 411561089 /nfs/dbraw/zinc/56/10/89/411561089.db2.gz CNFPFQAKJWUNER-UHFFFAOYSA-N 1 2 236.275 1.142 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000354843244 170265648 /nfs/dbraw/zinc/26/56/48/170265648.db2.gz VMYUHEMZWBMABO-DCAQKATOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000354843244 170265651 /nfs/dbraw/zinc/26/56/51/170265651.db2.gz VMYUHEMZWBMABO-DCAQKATOSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H](C)C[NH2+]Cc1nnc(COC)[nH]1 ZINC000657607150 411561204 /nfs/dbraw/zinc/56/12/04/411561204.db2.gz DEZWYYMKLBANCM-MRVPVSSYSA-N 1 2 212.297 1.087 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000336782396 170268836 /nfs/dbraw/zinc/26/88/36/170268836.db2.gz XMGPPBBOTBXMFY-HBNTYKKESA-N 1 2 229.320 1.079 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)[nH]1 ZINC000657609255 411562743 /nfs/dbraw/zinc/56/27/43/411562743.db2.gz MJFPNRHUYVCFEC-IUCAKERBSA-N 1 2 238.335 1.475 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000092456534 170279605 /nfs/dbraw/zinc/27/96/05/170279605.db2.gz WZIBMUGZRKOIRB-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000092456534 170279606 /nfs/dbraw/zinc/27/96/06/170279606.db2.gz WZIBMUGZRKOIRB-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)co1 ZINC000660276666 411563814 /nfs/dbraw/zinc/56/38/14/411563814.db2.gz RPMBPTFHOQWWMB-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@]2(C)C(N)=O)co1 ZINC000660276666 411563815 /nfs/dbraw/zinc/56/38/15/411563815.db2.gz RPMBPTFHOQWWMB-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO C[C@H](NC(=O)NC[C@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000660344843 411572353 /nfs/dbraw/zinc/57/23/53/411572353.db2.gz ZZERHNITHQDTDI-KXUCPTDWSA-N 1 2 236.319 1.436 20 0 BDADLO CCOC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000285936534 170316702 /nfs/dbraw/zinc/31/67/02/170316702.db2.gz LZIVSOLTUAQHCV-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO CCOC1CC(O)(CNc2cccc[nH+]2)C1 ZINC000277812466 170331320 /nfs/dbraw/zinc/33/13/20/170331320.db2.gz IDJIBTSBPBHBIM-UHFFFAOYSA-N 1 2 222.288 1.424 20 0 BDADLO CCOC1C[NH+](Cc2ccc(COC)o2)C1 ZINC000297324339 170337014 /nfs/dbraw/zinc/33/70/14/170337014.db2.gz CVLBFSFBUJJPFQ-UHFFFAOYSA-N 1 2 225.288 1.647 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000657662316 411575535 /nfs/dbraw/zinc/57/55/35/411575535.db2.gz AFKYEUMYPAYULC-JOYOIKCWSA-N 1 2 223.320 1.765 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)nc(C)n1 ZINC000660323826 411568560 /nfs/dbraw/zinc/56/85/60/411568560.db2.gz WMYXRHUATBJFKR-AWEZNQCLSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)nc(C)n1 ZINC000660323826 411568561 /nfs/dbraw/zinc/56/85/61/411568561.db2.gz WMYXRHUATBJFKR-AWEZNQCLSA-N 1 2 247.342 1.704 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc2n1CCCC2 ZINC000373156143 170392140 /nfs/dbraw/zinc/39/21/40/170392140.db2.gz VSBIJJTUPILSCV-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000373156143 170392142 /nfs/dbraw/zinc/39/21/42/170392142.db2.gz VSBIJJTUPILSCV-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncc(C)cn1 ZINC000340838386 170396421 /nfs/dbraw/zinc/39/64/21/170396421.db2.gz HJAKXFFFWFBDLU-UHFFFAOYSA-N 1 2 223.320 1.643 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncc(C)cn1 ZINC000340838386 170396423 /nfs/dbraw/zinc/39/64/23/170396423.db2.gz HJAKXFFFWFBDLU-UHFFFAOYSA-N 1 2 223.320 1.643 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C)o1 ZINC000660780532 411628901 /nfs/dbraw/zinc/62/89/01/411628901.db2.gz QZUZBPQJPMISAF-UWVGGRQHSA-N 1 2 224.329 1.981 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(C)o1 ZINC000660780532 411628904 /nfs/dbraw/zinc/62/89/04/411628904.db2.gz QZUZBPQJPMISAF-UWVGGRQHSA-N 1 2 224.329 1.981 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1C ZINC000635721649 411630166 /nfs/dbraw/zinc/63/01/66/411630166.db2.gz CMEHJUVDZXYHMC-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1C ZINC000635721649 411630170 /nfs/dbraw/zinc/63/01/70/411630170.db2.gz CMEHJUVDZXYHMC-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cc(C)n(C)n1 ZINC000663349583 411633853 /nfs/dbraw/zinc/63/38/53/411633853.db2.gz LKPUXKUVXDRBBP-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO CCCc1ccc(N(C)Cc2[nH+]ccn2C)nn1 ZINC000663352338 411635700 /nfs/dbraw/zinc/63/57/00/411635700.db2.gz YSIPCNMCIBSDSH-UHFFFAOYSA-N 1 2 245.330 1.799 20 0 BDADLO Cc1nnc([C@H]2CC[N@H+](Cc3coc(C)n3)C2)[nH]1 ZINC000660805107 411640134 /nfs/dbraw/zinc/64/01/34/411640134.db2.gz KMYAOCIYJXXIKY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nnc([C@H]2CC[N@@H+](Cc3coc(C)n3)C2)[nH]1 ZINC000660805107 411640137 /nfs/dbraw/zinc/64/01/37/411640137.db2.gz KMYAOCIYJXXIKY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3coc(C)n3)C2)n1 ZINC000660805107 411640138 /nfs/dbraw/zinc/64/01/38/411640138.db2.gz KMYAOCIYJXXIKY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3coc(C)n3)C2)n1 ZINC000660805107 411640141 /nfs/dbraw/zinc/64/01/41/411640141.db2.gz KMYAOCIYJXXIKY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3coc(C)n3)C2)n[nH]1 ZINC000660805107 411640143 /nfs/dbraw/zinc/64/01/43/411640143.db2.gz KMYAOCIYJXXIKY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3coc(C)n3)C2)n[nH]1 ZINC000660805107 411640144 /nfs/dbraw/zinc/64/01/44/411640144.db2.gz KMYAOCIYJXXIKY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000660808123 411640230 /nfs/dbraw/zinc/64/02/30/411640230.db2.gz NLOCPKJHQVPFQD-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000660808123 411640233 /nfs/dbraw/zinc/64/02/33/411640233.db2.gz NLOCPKJHQVPFQD-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)no1 ZINC000660808123 411640237 /nfs/dbraw/zinc/64/02/37/411640237.db2.gz NLOCPKJHQVPFQD-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)no1 ZINC000660808123 411640240 /nfs/dbraw/zinc/64/02/40/411640240.db2.gz NLOCPKJHQVPFQD-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)no1 ZINC000660808123 411640242 /nfs/dbraw/zinc/64/02/42/411640242.db2.gz NLOCPKJHQVPFQD-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)no1 ZINC000660808123 411640244 /nfs/dbraw/zinc/64/02/44/411640244.db2.gz NLOCPKJHQVPFQD-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3cncs3)C2)n[nH]1 ZINC000660806844 411640359 /nfs/dbraw/zinc/64/03/59/411640359.db2.gz YGCTYGRAJVYOKZ-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cncs3)C2)n[nH]1 ZINC000660806844 411640362 /nfs/dbraw/zinc/64/03/62/411640362.db2.gz YGCTYGRAJVYOKZ-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO CCN1CC[N@H+](CCc2cncs2)C[C@H]1C ZINC000663383445 411644470 /nfs/dbraw/zinc/64/44/70/411644470.db2.gz ODAFUXYUZHDLBB-LLVKDONJSA-N 1 2 239.388 1.712 20 0 BDADLO CCN1CC[N@@H+](CCc2cncs2)C[C@H]1C ZINC000663383445 411644474 /nfs/dbraw/zinc/64/44/74/411644474.db2.gz ODAFUXYUZHDLBB-LLVKDONJSA-N 1 2 239.388 1.712 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC[C@H]1C ZINC000660422549 411582782 /nfs/dbraw/zinc/58/27/82/411582782.db2.gz FNOJSYBOVDBJPD-SECBINFHSA-N 1 2 210.277 1.458 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC[C@H]1C ZINC000660422549 411582783 /nfs/dbraw/zinc/58/27/83/411582783.db2.gz FNOJSYBOVDBJPD-SECBINFHSA-N 1 2 210.277 1.458 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660450106 411586774 /nfs/dbraw/zinc/58/67/74/411586774.db2.gz BYCVKRIWXHQICA-LBPRGKRZSA-N 1 2 238.335 1.238 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660450106 411586776 /nfs/dbraw/zinc/58/67/76/411586776.db2.gz BYCVKRIWXHQICA-LBPRGKRZSA-N 1 2 238.335 1.238 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660466073 411589538 /nfs/dbraw/zinc/58/95/38/411589538.db2.gz DNGGKLJDRDOQGG-NXEZZACHSA-N 1 2 238.335 1.986 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660466073 411589540 /nfs/dbraw/zinc/58/95/40/411589540.db2.gz DNGGKLJDRDOQGG-NXEZZACHSA-N 1 2 238.335 1.986 20 0 BDADLO FC1(F)COCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660560333 411600379 /nfs/dbraw/zinc/60/03/79/411600379.db2.gz JGWVWQSJLSWAHD-JGPRNRPPSA-N 1 2 231.286 2.000 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660560333 411600381 /nfs/dbraw/zinc/60/03/81/411600381.db2.gz JGWVWQSJLSWAHD-JGPRNRPPSA-N 1 2 231.286 2.000 20 0 BDADLO Cc1cc(CN2CCn3c[nH+]cc3C2)nc(C)n1 ZINC000660582980 411603631 /nfs/dbraw/zinc/60/36/31/411603631.db2.gz CSSAAXPUAHSUQD-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO FC1(F)C[C@H]1OCCN1CCn2c[nH+]cc2C1 ZINC000660585288 411603723 /nfs/dbraw/zinc/60/37/23/411603723.db2.gz YAMWRDIEILJTSU-SNVBAGLBSA-N 1 2 243.257 1.123 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CCn3cncc3C2)CO1 ZINC000660584120 411604028 /nfs/dbraw/zinc/60/40/28/411604028.db2.gz PIYBBXPQYCNJJM-SNVBAGLBSA-N 1 2 221.304 1.266 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CCn3cncc3C2)CO1 ZINC000660584120 411604030 /nfs/dbraw/zinc/60/40/30/411604030.db2.gz PIYBBXPQYCNJJM-SNVBAGLBSA-N 1 2 221.304 1.266 20 0 BDADLO CC1(C)C[C@@H](N2CCn3c[nH+]cc3C2)CO1 ZINC000660584120 411604031 /nfs/dbraw/zinc/60/40/31/411604031.db2.gz PIYBBXPQYCNJJM-SNVBAGLBSA-N 1 2 221.304 1.266 20 0 BDADLO CC[N@H+](Cc1nc(C)oc1C)[C@H]1CCOC1 ZINC000660597275 411605099 /nfs/dbraw/zinc/60/50/99/411605099.db2.gz PZNVSEFONGHLKH-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO CC[N@@H+](Cc1nc(C)oc1C)[C@H]1CCOC1 ZINC000660597275 411605100 /nfs/dbraw/zinc/60/51/00/411605100.db2.gz PZNVSEFONGHLKH-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657868822 411614155 /nfs/dbraw/zinc/61/41/55/411614155.db2.gz WPMLMMRCWCKGDR-SNVBAGLBSA-N 1 2 231.303 1.241 20 0 BDADLO CC(C)=CC[NH+]1CCN(c2ncns2)CC1 ZINC000660717547 411618587 /nfs/dbraw/zinc/61/85/87/411618587.db2.gz ZNHFOTXSRCVPAB-UHFFFAOYSA-N 1 2 238.360 1.626 20 0 BDADLO C[C@@H](c1csnn1)N(C)Cc1c[nH+]c[nH]1 ZINC000661093760 411704768 /nfs/dbraw/zinc/70/47/68/411704768.db2.gz RIICPHCJWZHCJS-ZETCQYMHSA-N 1 2 223.305 1.454 20 0 BDADLO C[C@@H](c1csnn1)N(C)Cc1c[nH]c[nH+]1 ZINC000661093760 411704770 /nfs/dbraw/zinc/70/47/70/411704770.db2.gz RIICPHCJWZHCJS-ZETCQYMHSA-N 1 2 223.305 1.454 20 0 BDADLO CCC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000071490781 411716849 /nfs/dbraw/zinc/71/68/49/411716849.db2.gz KNYMHYHCBQKBAT-UHFFFAOYSA-N 1 2 231.299 1.711 20 0 BDADLO CCn1nccc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000663469630 411667480 /nfs/dbraw/zinc/66/74/80/411667480.db2.gz LAVXDNYMZRDWIX-JQWIXIFHSA-N 1 2 245.330 1.895 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000660911620 411669679 /nfs/dbraw/zinc/66/96/79/411669679.db2.gz FCBLWBHLIQSXPK-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000660911620 411669680 /nfs/dbraw/zinc/66/96/80/411669680.db2.gz FCBLWBHLIQSXPK-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CN(Cc2cn(C)c[nH+]2)[C@@H](C)CO1 ZINC000660911620 411669684 /nfs/dbraw/zinc/66/96/84/411669684.db2.gz FCBLWBHLIQSXPK-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@@H](O)C(F)F ZINC000631459202 411679204 /nfs/dbraw/zinc/67/92/04/411679204.db2.gz BFKCITIUKKCRMT-SSDOTTSWSA-N 1 2 247.245 1.222 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932511 411681530 /nfs/dbraw/zinc/68/15/30/411681530.db2.gz YUEGPIVLKPXSEG-QWRGUYRKSA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932511 411681533 /nfs/dbraw/zinc/68/15/33/411681533.db2.gz YUEGPIVLKPXSEG-QWRGUYRKSA-N 1 2 249.362 1.803 20 0 BDADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)[C@@H]1CCOC1 ZINC000605572324 411694548 /nfs/dbraw/zinc/69/45/48/411694548.db2.gz VPKJGKRZIZYZGV-MNOVXSKESA-N 1 2 249.314 1.163 20 0 BDADLO CC(C)=CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661063339 411694782 /nfs/dbraw/zinc/69/47/82/411694782.db2.gz QQWFTZMNLJPPMN-UHFFFAOYSA-N 1 2 222.292 1.517 20 0 BDADLO CC(C)=CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661063339 411694785 /nfs/dbraw/zinc/69/47/85/411694785.db2.gz QQWFTZMNLJPPMN-UHFFFAOYSA-N 1 2 222.292 1.517 20 0 BDADLO CCCc1noc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661083764 411696142 /nfs/dbraw/zinc/69/61/42/411696142.db2.gz KSIJFRABKDYLND-UHFFFAOYSA-N 1 2 235.291 1.377 20 0 BDADLO CCCc1noc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661083764 411696149 /nfs/dbraw/zinc/69/61/49/411696149.db2.gz KSIJFRABKDYLND-UHFFFAOYSA-N 1 2 235.291 1.377 20 0 BDADLO C[C@@H](c1cnccn1)N(C)Cc1c[nH+]c[nH]1 ZINC000661088758 411699456 /nfs/dbraw/zinc/69/94/56/411699456.db2.gz NVPFCZXEBLQWHH-VIFPVBQESA-N 1 2 217.276 1.393 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661508952 411791899 /nfs/dbraw/zinc/79/18/99/411791899.db2.gz BUZKZCJHEIXLTG-NWDGAFQWSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661508952 411791903 /nfs/dbraw/zinc/79/19/03/411791903.db2.gz BUZKZCJHEIXLTG-NWDGAFQWSA-N 1 2 234.274 1.461 20 0 BDADLO CCC(C)(C)[C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000661231200 411737137 /nfs/dbraw/zinc/73/71/37/411737137.db2.gz JAEUKKYSDNEZDD-ZETCQYMHSA-N 1 2 212.297 1.425 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515395 411792031 /nfs/dbraw/zinc/79/20/31/411792031.db2.gz YFQPNIFPAUJWOZ-KCJUWKMLSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515395 411792037 /nfs/dbraw/zinc/79/20/37/411792037.db2.gz YFQPNIFPAUJWOZ-KCJUWKMLSA-N 1 2 222.263 1.446 20 0 BDADLO O[C@H]1CC[N@H+](CCC2CCC2)CC1(F)F ZINC000661413127 411770701 /nfs/dbraw/zinc/77/07/01/411770701.db2.gz MDDYPJLJDOXNFU-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1CC[N@@H+](CCC2CCC2)CC1(F)F ZINC000661413127 411770704 /nfs/dbraw/zinc/77/07/04/411770704.db2.gz MDDYPJLJDOXNFU-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO COC1(CC[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCC1 ZINC000661415514 411771649 /nfs/dbraw/zinc/77/16/49/411771649.db2.gz ZGLDFJOIKUUNOA-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO COC1(CC[N@H+]2CC[C@@H](O)C(F)(F)C2)CCC1 ZINC000661415514 411771652 /nfs/dbraw/zinc/77/16/52/411771652.db2.gz ZGLDFJOIKUUNOA-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512263 411793757 /nfs/dbraw/zinc/79/37/57/411793757.db2.gz CTJBFRNAJXICGV-JTQLQIEISA-N 1 2 208.236 1.058 20 0 BDADLO NC(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512263 411793764 /nfs/dbraw/zinc/79/37/64/411793764.db2.gz CTJBFRNAJXICGV-JTQLQIEISA-N 1 2 208.236 1.058 20 0 BDADLO CCc1nc(N2Cc3c[nH]nc3C2)cc(C)[nH+]1 ZINC000663928639 411778934 /nfs/dbraw/zinc/77/89/34/411778934.db2.gz MZEYFYIBXCBVSM-UHFFFAOYSA-N 1 2 229.287 1.591 20 0 BDADLO OC[C@H]([NH2+]Cc1nnsc1Cl)C1CCC1 ZINC000661159372 411723771 /nfs/dbraw/zinc/72/37/71/411723771.db2.gz VDPXVQGSSFHZBT-QMMMGPOBSA-N 1 2 247.751 1.442 20 0 BDADLO CC(C)n1cc[nH+]c1CN(C)Cc1cn(C)nn1 ZINC000661745929 411864336 /nfs/dbraw/zinc/86/43/36/411864336.db2.gz LIJZIQDICZHTEY-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1nnc(C)o1 ZINC000661528895 411796560 /nfs/dbraw/zinc/79/65/60/411796560.db2.gz SYAJYLKBINGNCV-LLVKDONJSA-N 1 2 241.335 1.871 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1nnc(C)o1 ZINC000661528895 411796565 /nfs/dbraw/zinc/79/65/65/411796565.db2.gz SYAJYLKBINGNCV-LLVKDONJSA-N 1 2 241.335 1.871 20 0 BDADLO C[C@@H]1C[NH+](CCOCC(F)F)C[C@@H](C)C1=O ZINC000661545402 411799662 /nfs/dbraw/zinc/79/96/62/411799662.db2.gz WDEVPYLBNHUUDJ-RKDXNWHRSA-N 1 2 235.274 1.425 20 0 BDADLO COc1ccc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)cn1 ZINC000661548767 411801217 /nfs/dbraw/zinc/80/12/17/411801217.db2.gz LEVHSCQOIMEFNC-GHMZBOCLSA-N 1 2 248.326 1.747 20 0 BDADLO Nc1[nH+]cccc1CO[C@H]1CCCc2c[nH]nc21 ZINC000664016151 411814327 /nfs/dbraw/zinc/81/43/27/411814327.db2.gz NGYVLGNYBZUSAT-NSHDSACASA-N 1 2 244.298 1.981 20 0 BDADLO CNC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000664021994 411816615 /nfs/dbraw/zinc/81/66/15/411816615.db2.gz KVXGRGWZRTVKGS-UHFFFAOYSA-N 1 2 249.318 1.003 20 0 BDADLO Cc1ocnc1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000536430507 411822363 /nfs/dbraw/zinc/82/23/63/411822363.db2.gz XEBBTBBLQNFHRO-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1ocnc1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000536430507 411822366 /nfs/dbraw/zinc/82/23/66/411822366.db2.gz XEBBTBBLQNFHRO-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO CC[C@@H](C)N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049269315 170721013 /nfs/dbraw/zinc/72/10/13/170721013.db2.gz MILGWDZTSSNZPP-GHMZBOCLSA-N 1 2 238.335 1.712 20 0 BDADLO c1cn(CCn2cc(C3CC3)nn2)c[nH+]1 ZINC000664122257 411860777 /nfs/dbraw/zinc/86/07/77/411860777.db2.gz OEFDOWOINPVCLZ-UHFFFAOYSA-N 1 2 203.249 1.052 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000182532522 170768862 /nfs/dbraw/zinc/76/88/62/170768862.db2.gz RYMGQDDWJKAUSW-GHMZBOCLSA-N 1 2 223.320 1.682 20 0 BDADLO OC/C=C/CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000664234944 411892402 /nfs/dbraw/zinc/89/24/02/411892402.db2.gz DYXUSBWXZQZKEC-GORDUTHDSA-N 1 2 248.330 1.427 20 0 BDADLO OC/C=C/CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000664234944 411892406 /nfs/dbraw/zinc/89/24/06/411892406.db2.gz DYXUSBWXZQZKEC-GORDUTHDSA-N 1 2 248.330 1.427 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000661871079 411910867 /nfs/dbraw/zinc/91/08/67/411910867.db2.gz KWTDLPDNYFZVRT-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000661871079 411910870 /nfs/dbraw/zinc/91/08/70/411910870.db2.gz KWTDLPDNYFZVRT-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1cc(N2CCC[C@H](C)[C@H]2CCO)nc[nH+]1 ZINC000664286049 411912046 /nfs/dbraw/zinc/91/20/46/411912046.db2.gz KUERQUUQGDWFAA-CMPLNLGQSA-N 1 2 235.331 1.772 20 0 BDADLO O=C1CCCC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000661959645 411919994 /nfs/dbraw/zinc/91/99/94/411919994.db2.gz DFCSGSYKQQPGHY-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO Cc1nc(N2C[C@@H](C)C(O)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000664347791 411927230 /nfs/dbraw/zinc/92/72/30/411927230.db2.gz AYTGUEBVXWTJDJ-RKDXNWHRSA-N 1 2 249.358 1.855 20 0 BDADLO C[C@H]1CC[C@@H](Nc2cccc[nH+]2)CS1(=O)=O ZINC000664357318 411929027 /nfs/dbraw/zinc/92/90/27/411929027.db2.gz UJWFPOKURMSTMZ-VHSXEESVSA-N 1 2 240.328 1.459 20 0 BDADLO CN(CC1=CCCOC1)c1cccc[nH+]1 ZINC000664363685 411931059 /nfs/dbraw/zinc/93/10/59/411931059.db2.gz OKFVACGPCNDZQU-UHFFFAOYSA-N 1 2 204.273 1.865 20 0 BDADLO Cc1nc(N(C)C)nc(NCCc2ccoc2)[nH+]1 ZINC000664379687 411935179 /nfs/dbraw/zinc/93/51/79/411935179.db2.gz FSDIKNBFKUBRHA-UHFFFAOYSA-N 1 2 247.302 1.494 20 0 BDADLO Cc1nc(NCCc2ccoc2)nc(N(C)C)[nH+]1 ZINC000664379687 411935180 /nfs/dbraw/zinc/93/51/80/411935180.db2.gz FSDIKNBFKUBRHA-UHFFFAOYSA-N 1 2 247.302 1.494 20 0 BDADLO Cc1cnc(NCc2c[nH+]c(C)nc2N)nc1 ZINC000631315301 411935469 /nfs/dbraw/zinc/93/54/69/411935469.db2.gz MMCYXVRNOXRBEH-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661770448 411880373 /nfs/dbraw/zinc/88/03/73/411880373.db2.gz DGODXIVPAIIACM-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661770448 411880377 /nfs/dbraw/zinc/88/03/77/411880377.db2.gz DGODXIVPAIIACM-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO OC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)C1CCC1 ZINC000664173109 411880327 /nfs/dbraw/zinc/88/03/27/411880327.db2.gz KIHSKJOFKIEBSZ-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO OC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)C1CCC1 ZINC000664173109 411880334 /nfs/dbraw/zinc/88/03/34/411880334.db2.gz KIHSKJOFKIEBSZ-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO OC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CCC1 ZINC000664173007 411880355 /nfs/dbraw/zinc/88/03/55/411880355.db2.gz ZHEXFJRYLFGILG-LLVKDONJSA-N 1 2 233.315 1.927 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@@H](O)C12CCC2 ZINC000664469153 411967321 /nfs/dbraw/zinc/96/73/21/411967321.db2.gz LYGVBWRUGUYLCV-VHSXEESVSA-N 1 2 249.314 1.509 20 0 BDADLO c1cc(N2CC[C@H]3COC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000664555626 411986271 /nfs/dbraw/zinc/98/62/71/411986271.db2.gz GXHLABREGNPWPC-RYUDHWBXSA-N 1 2 245.326 1.827 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2nccnc2C1 ZINC000662119121 411990667 /nfs/dbraw/zinc/99/06/67/411990667.db2.gz KVZSAAVMVAIXIP-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2nccnc2C1 ZINC000662119121 411990672 /nfs/dbraw/zinc/99/06/72/411990672.db2.gz KVZSAAVMVAIXIP-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@]1(C)CO ZINC000664593519 411993752 /nfs/dbraw/zinc/99/37/52/411993752.db2.gz CUZXWODDMKSJFA-ZYHUDNBSSA-N 1 2 206.289 1.536 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@]1(C)CO ZINC000664595691 411994041 /nfs/dbraw/zinc/99/40/41/411994041.db2.gz PSLFCGBKNZDWMS-IINYFYTJSA-N 1 2 247.342 1.809 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000664603693 411996556 /nfs/dbraw/zinc/99/65/56/411996556.db2.gz GMCMHCBSMCBVHV-MFKMUULPSA-N 1 2 248.330 1.888 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000664603693 411996559 /nfs/dbraw/zinc/99/65/59/411996559.db2.gz GMCMHCBSMCBVHV-MFKMUULPSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H](Nc1ncccn1)c1[nH+]ccn1C ZINC000664608222 411998485 /nfs/dbraw/zinc/99/84/85/411998485.db2.gz CBUUNHVEJREEMB-MRVPVSSYSA-N 1 2 203.249 1.383 20 0 BDADLO COc1cc(C)nc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000664608843 411998809 /nfs/dbraw/zinc/99/88/09/411998809.db2.gz OJGAFGIOAODDCU-VIFPVBQESA-N 1 2 247.302 1.700 20 0 BDADLO C[C@H](O)CNc1cc(N2CC3CC2(C)C3)nc[nH+]1 ZINC000664694611 412011615 /nfs/dbraw/zinc/01/16/15/412011615.db2.gz UNPMSVPMDGDDFY-JBLZRFIASA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H](O)CNc1cc(N2CC3CC2(C)C3)[nH+]cn1 ZINC000664694611 412011618 /nfs/dbraw/zinc/01/16/18/412011618.db2.gz UNPMSVPMDGDDFY-JBLZRFIASA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3COC[C@@H]3C2)no1 ZINC000662029827 411945533 /nfs/dbraw/zinc/94/55/33/411945533.db2.gz BUFZWGXZGLVPAE-LSJOCFKGSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]3COC[C@@H]3C2)no1 ZINC000662029827 411945536 /nfs/dbraw/zinc/94/55/36/411945536.db2.gz BUFZWGXZGLVPAE-LSJOCFKGSA-N 1 2 237.303 1.407 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662029615 411945972 /nfs/dbraw/zinc/94/59/72/411945972.db2.gz HUWXKAGRMIALQF-KXUCPTDWSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662029615 411945974 /nfs/dbraw/zinc/94/59/74/411945974.db2.gz HUWXKAGRMIALQF-KXUCPTDWSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@@]12COC[C@H]1CN(c1cccc[nH+]1)C2 ZINC000664420787 411949164 /nfs/dbraw/zinc/94/91/64/411949164.db2.gz GHHPGYJOJWMTKZ-ZYHUDNBSSA-N 1 2 204.273 1.554 20 0 BDADLO C[C@@H](NC(=O)Nc1ccccn1)c1[nH+]ccn1C ZINC000664454681 411961999 /nfs/dbraw/zinc/96/19/99/411961999.db2.gz MRSODIICXWUHHP-SECBINFHSA-N 1 2 245.286 1.698 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)[nH]1 ZINC000662045488 411962466 /nfs/dbraw/zinc/96/24/66/411962466.db2.gz XQGDGQJZVIICMN-SNVBAGLBSA-N 1 2 236.319 1.522 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H](C3CCC3)C2)[nH]1 ZINC000662045488 411962470 /nfs/dbraw/zinc/96/24/70/411962470.db2.gz XQGDGQJZVIICMN-SNVBAGLBSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823884 412026513 /nfs/dbraw/zinc/02/65/13/412026513.db2.gz QQWOIBTZMBBTHO-KOLCDFICSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823884 412026518 /nfs/dbraw/zinc/02/65/18/412026518.db2.gz QQWOIBTZMBBTHO-KOLCDFICSA-N 1 2 233.315 1.338 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)[C@H]1c1ccncc1 ZINC000664833409 412029626 /nfs/dbraw/zinc/02/96/26/412029626.db2.gz KZXMFLDUEJSJGH-NEPJUHHUSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)[C@H]1c1ccncc1 ZINC000664833409 412029630 /nfs/dbraw/zinc/02/96/30/412029630.db2.gz KZXMFLDUEJSJGH-NEPJUHHUSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccon2)C1 ZINC000664864463 412035146 /nfs/dbraw/zinc/03/51/46/412035146.db2.gz PWOQIJSAXAPMFQ-UHFFFAOYSA-N 1 2 246.314 1.982 20 0 BDADLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccon2)C1 ZINC000664864463 412035148 /nfs/dbraw/zinc/03/51/48/412035148.db2.gz PWOQIJSAXAPMFQ-UHFFFAOYSA-N 1 2 246.314 1.982 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CC[C@H](C)O2)s1 ZINC000662257202 412052145 /nfs/dbraw/zinc/05/21/45/412052145.db2.gz QWPPLPNYYLDWKB-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CC[C@H](C)O2)s1 ZINC000662257202 412052149 /nfs/dbraw/zinc/05/21/49/412052149.db2.gz QWPPLPNYYLDWKB-WPRPVWTQSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CC[C@@H](C)O2)s1 ZINC000662257196 412052409 /nfs/dbraw/zinc/05/24/09/412052409.db2.gz QWPPLPNYYLDWKB-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CC[C@@H](C)O2)s1 ZINC000662257196 412052413 /nfs/dbraw/zinc/05/24/13/412052413.db2.gz QWPPLPNYYLDWKB-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCF)s1 ZINC000662260211 412054314 /nfs/dbraw/zinc/05/43/14/412054314.db2.gz HVVCXWIWTMIHAN-UHFFFAOYSA-N 1 2 203.286 1.638 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCF)s1 ZINC000662260211 412054315 /nfs/dbraw/zinc/05/43/15/412054315.db2.gz HVVCXWIWTMIHAN-UHFFFAOYSA-N 1 2 203.286 1.638 20 0 BDADLO CCOCCC[N@H+](C)Cc1nnc(C)s1 ZINC000662259758 412054859 /nfs/dbraw/zinc/05/48/59/412054859.db2.gz AQSFYPBYYPPAMT-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO CCOCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000662259758 412054862 /nfs/dbraw/zinc/05/48/62/412054862.db2.gz AQSFYPBYYPPAMT-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO Cc1cc[nH+]cc1Cc1noc([C@@H]2CCOC2)n1 ZINC000664980037 412055273 /nfs/dbraw/zinc/05/52/73/412055273.db2.gz CYANMXRJGYTHLV-SNVBAGLBSA-N 1 2 245.282 1.868 20 0 BDADLO Cc1cc[nH+]cc1Cc1noc([C@H]2CCOC2)n1 ZINC000664980034 412055415 /nfs/dbraw/zinc/05/54/15/412055415.db2.gz CYANMXRJGYTHLV-JTQLQIEISA-N 1 2 245.282 1.868 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)CC1=CCSC1 ZINC000662264298 412055796 /nfs/dbraw/zinc/05/57/96/412055796.db2.gz PZUHOHIELQUPNQ-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)CC1=CCSC1 ZINC000662264298 412055799 /nfs/dbraw/zinc/05/57/99/412055799.db2.gz PZUHOHIELQUPNQ-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)CC1=CCSC1 ZINC000662264298 412055801 /nfs/dbraw/zinc/05/58/01/412055801.db2.gz PZUHOHIELQUPNQ-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)CC1=CCSC1 ZINC000662264298 412055805 /nfs/dbraw/zinc/05/58/05/412055805.db2.gz PZUHOHIELQUPNQ-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@]12C[C@H]1CCC2 ZINC000664996309 412056829 /nfs/dbraw/zinc/05/68/29/412056829.db2.gz JXYJNKNFGBALBR-ZWNOBZJWSA-N 1 2 248.330 1.645 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000119430573 171006115 /nfs/dbraw/zinc/00/61/15/171006115.db2.gz XFAYZHJWZLYFAM-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@@H]1CCN1C(=O)NCc1c[nH+]ccc1OC ZINC000294312175 171017118 /nfs/dbraw/zinc/01/71/18/171017118.db2.gz RPJGZJGIGHEHEE-LLVKDONJSA-N 1 2 249.314 1.784 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649783 171037326 /nfs/dbraw/zinc/03/73/26/171037326.db2.gz COTZGDDCUDJMBX-HTQZYQBOSA-N 1 2 210.281 1.273 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649783 171037327 /nfs/dbraw/zinc/03/73/27/171037327.db2.gz COTZGDDCUDJMBX-HTQZYQBOSA-N 1 2 210.281 1.273 20 0 BDADLO CC[C@@H]1CN(C(=O)Nc2cc[nH+]c(C)c2)C[C@H]1O ZINC000271012413 171066322 /nfs/dbraw/zinc/06/63/22/171066322.db2.gz IENCYLBWPRWYLV-ZYHUDNBSSA-N 1 2 249.314 1.625 20 0 BDADLO CC[C@@H]1CN(C(=O)Nc2cc[nH+]c(C)c2)C[C@@H]1O ZINC000271012411 171067491 /nfs/dbraw/zinc/06/74/91/171067491.db2.gz IENCYLBWPRWYLV-PWSUYJOCSA-N 1 2 249.314 1.625 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000121306853 171086248 /nfs/dbraw/zinc/08/62/48/171086248.db2.gz WLNRUSBEWGPDIY-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000121306853 171086249 /nfs/dbraw/zinc/08/62/49/171086249.db2.gz WLNRUSBEWGPDIY-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1O ZINC000270896865 171091809 /nfs/dbraw/zinc/09/18/09/171091809.db2.gz MAOGYAPMBWNWSH-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1O ZINC000270896865 171091815 /nfs/dbraw/zinc/09/18/15/171091815.db2.gz MAOGYAPMBWNWSH-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)[S@@]1=O ZINC000286041721 171092259 /nfs/dbraw/zinc/09/22/59/171092259.db2.gz QUAZDTZMVDIWOF-IEVXNVSRSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC000340570796 171097525 /nfs/dbraw/zinc/09/75/25/171097525.db2.gz PNVHNUNEOXJISR-VXGBXAGGSA-N 1 2 235.331 1.609 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccnc1N ZINC000052721759 171105089 /nfs/dbraw/zinc/10/50/89/171105089.db2.gz YZILRZIVKWDXTR-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccnc1N ZINC000052721759 171105092 /nfs/dbraw/zinc/10/50/92/171105092.db2.gz YZILRZIVKWDXTR-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000115741273 171105623 /nfs/dbraw/zinc/10/56/23/171105623.db2.gz CGELSCCGGJMHDL-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccnc1 ZINC000115741273 171105624 /nfs/dbraw/zinc/10/56/24/171105624.db2.gz CGELSCCGGJMHDL-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnn(C)c1 ZINC000115571829 171107172 /nfs/dbraw/zinc/10/71/72/171107172.db2.gz PWBRPTHSNFJLTB-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnn(C)c1 ZINC000115571829 171107175 /nfs/dbraw/zinc/10/71/75/171107175.db2.gz PWBRPTHSNFJLTB-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1conc1C ZINC000294985311 171110251 /nfs/dbraw/zinc/11/02/51/171110251.db2.gz STIAGJUUTNGXNS-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1conc1C ZINC000294985311 171110252 /nfs/dbraw/zinc/11/02/52/171110252.db2.gz STIAGJUUTNGXNS-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1Cc1[nH+]ccn1CC ZINC000341814698 171113798 /nfs/dbraw/zinc/11/37/98/171113798.db2.gz VBVMFHCFXQHNQR-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000339163692 171117650 /nfs/dbraw/zinc/11/76/50/171117650.db2.gz FBLCFMPMRYKWNA-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291575973 171135733 /nfs/dbraw/zinc/13/57/33/171135733.db2.gz OUOUHBZEHWKNHS-MWLCHTKSSA-N 1 2 234.303 1.207 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000280662945 171136435 /nfs/dbraw/zinc/13/64/35/171136435.db2.gz XRSYPLFECFOIKQ-GHMZBOCLSA-N 1 2 236.319 1.371 20 0 BDADLO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331158625 171152037 /nfs/dbraw/zinc/15/20/37/171152037.db2.gz FEDCWWHZRVVBDI-QWRGUYRKSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331158625 171152039 /nfs/dbraw/zinc/15/20/39/171152039.db2.gz FEDCWWHZRVVBDI-QWRGUYRKSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@](C)([NH2+]CCC(=O)OC(C)C)C(=O)OC ZINC000352889123 171173985 /nfs/dbraw/zinc/17/39/85/171173985.db2.gz XNFMWJGUDSWOCV-GFCCVEGCSA-N 1 2 245.319 1.259 20 0 BDADLO CC[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265854116 171252235 /nfs/dbraw/zinc/25/22/35/171252235.db2.gz VHMGLFXBCNNCDU-QWRGUYRKSA-N 1 2 223.320 1.682 20 0 BDADLO CC[C@H](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000276621448 171257338 /nfs/dbraw/zinc/25/73/38/171257338.db2.gz KUYFWFXQVXXDPN-JTQLQIEISA-N 1 2 223.320 1.815 20 0 BDADLO CC[C@H](C)CC(=O)NCc1[nH+]ccn1CC ZINC000295872471 171261278 /nfs/dbraw/zinc/26/12/78/171261278.db2.gz XTLPCKQFOKBCIL-JTQLQIEISA-N 1 2 223.320 1.955 20 0 BDADLO CC[C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000264658459 171269180 /nfs/dbraw/zinc/26/91/80/171269180.db2.gz KOXCRGLZQGZQPM-NSHDSACASA-N 1 2 223.320 1.778 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370428053 171304251 /nfs/dbraw/zinc/30/42/51/171304251.db2.gz LKEAKTTUTVPWBY-QWRGUYRKSA-N 1 2 235.331 1.702 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000295093448 171323600 /nfs/dbraw/zinc/32/36/00/171323600.db2.gz FOXMHHUCGDEMLR-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295093448 171323601 /nfs/dbraw/zinc/32/36/01/171323601.db2.gz FOXMHHUCGDEMLR-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000179521902 171331155 /nfs/dbraw/zinc/33/11/55/171331155.db2.gz PZMQNQOWDATDAU-NWDGAFQWSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000179521902 171331156 /nfs/dbraw/zinc/33/11/56/171331156.db2.gz PZMQNQOWDATDAU-NWDGAFQWSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269693084 171354492 /nfs/dbraw/zinc/35/44/92/171354492.db2.gz GGFYOFUZUOOLAO-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264839554 171363588 /nfs/dbraw/zinc/36/35/88/171363588.db2.gz KUWCKUVFGTXLMZ-JGVFFNPUSA-N 1 2 209.293 1.883 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@@](C)(C(F)F)O1 ZINC000662361057 412123108 /nfs/dbraw/zinc/12/31/08/412123108.db2.gz JRHWNOVTAOUQFD-KCJUWKMLSA-N 1 2 246.257 1.919 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@@](C)(C(F)F)O1 ZINC000662361057 412123112 /nfs/dbraw/zinc/12/31/12/412123112.db2.gz JRHWNOVTAOUQFD-KCJUWKMLSA-N 1 2 246.257 1.919 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@](C)(C(F)F)O1 ZINC000662366864 412125647 /nfs/dbraw/zinc/12/56/47/412125647.db2.gz UAMBURGJEPRTTF-GZMMTYOYSA-N 1 2 245.273 1.654 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC3CC2(C)C3)s1 ZINC000662381715 412134379 /nfs/dbraw/zinc/13/43/79/412134379.db2.gz CAMIIRZUEKSXBE-UHFFFAOYSA-N 1 2 239.344 1.921 20 0 BDADLO CCOc1nnc(C[N@H+]2CC3CC2(C)C3)s1 ZINC000662381715 412134384 /nfs/dbraw/zinc/13/43/84/412134384.db2.gz CAMIIRZUEKSXBE-UHFFFAOYSA-N 1 2 239.344 1.921 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC3CC2(C)C3)n1 ZINC000662383023 412136660 /nfs/dbraw/zinc/13/66/60/412136660.db2.gz HIQAFKXDKZJTLJ-YDNLMGDJSA-N 1 2 237.303 1.761 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC3CC2(C)C3)n1 ZINC000662383023 412136662 /nfs/dbraw/zinc/13/66/62/412136662.db2.gz HIQAFKXDKZJTLJ-YDNLMGDJSA-N 1 2 237.303 1.761 20 0 BDADLO C[C@@H](CCNc1cccc(C(=O)[O-])[nH+]1)[NH+](C)C ZINC000662883592 412334364 /nfs/dbraw/zinc/33/43/64/412334364.db2.gz MYEQXAGVANOTOR-VIFPVBQESA-N 1 2 237.303 1.532 20 0 BDADLO CCc1nc(C)c(C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000340056521 171950024 /nfs/dbraw/zinc/95/00/24/171950024.db2.gz CNARCNYVKVZBRE-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccco2)[nH]1 ZINC000127144056 172002606 /nfs/dbraw/zinc/00/26/06/172002606.db2.gz VHQVZMBLLGXPMZ-MRVPVSSYSA-N 1 2 220.276 1.811 20 0 BDADLO CCc1nc([C@H](C)[NH2+]CC(OC)OC)cs1 ZINC000189198980 172005540 /nfs/dbraw/zinc/00/55/40/172005540.db2.gz RUQWLXLVDGGQKW-QMMMGPOBSA-N 1 2 244.360 1.975 20 0 BDADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(N)=O)cs1 ZINC000183071387 172007115 /nfs/dbraw/zinc/00/71/15/172007115.db2.gz YRUVZPJGTIKVRF-NKWVEPMBSA-N 1 2 227.333 1.230 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@@](F)(CO)C2)s1 ZINC000338998002 172016985 /nfs/dbraw/zinc/01/69/85/172016985.db2.gz ZRSAMTRZIUITDD-NSHDSACASA-N 1 2 244.335 1.612 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@@](F)(CO)C2)s1 ZINC000338998002 172016987 /nfs/dbraw/zinc/01/69/87/172016987.db2.gz ZRSAMTRZIUITDD-NSHDSACASA-N 1 2 244.335 1.612 20 0 BDADLO CCc1ncc(CN2CCn3cc[nH+]c3C2)s1 ZINC000336383783 172017350 /nfs/dbraw/zinc/01/73/50/172017350.db2.gz JSQYMDIHAZGZSH-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCc1ncnc(N(C)Cc2[nH+]ccn2C)c1F ZINC000270932398 172030478 /nfs/dbraw/zinc/03/04/78/172030478.db2.gz KYTMGLYMEBAYMM-UHFFFAOYSA-N 1 2 249.293 1.548 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@H+](C)[C@@H](C)CO ZINC000289394692 172038222 /nfs/dbraw/zinc/03/82/22/172038222.db2.gz FMWJNYQBFNAZNY-QMMMGPOBSA-N 1 2 245.754 1.449 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)[C@@H](C)CO ZINC000289394692 172038224 /nfs/dbraw/zinc/03/82/24/172038224.db2.gz FMWJNYQBFNAZNY-QMMMGPOBSA-N 1 2 245.754 1.449 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@@H]2CCCO2)o1 ZINC000051555477 172048141 /nfs/dbraw/zinc/04/81/41/172048141.db2.gz RQFXBEUBCXKDKI-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@@H]2CCCO2)o1 ZINC000051555477 172048144 /nfs/dbraw/zinc/04/81/44/172048144.db2.gz RQFXBEUBCXKDKI-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000361435944 172090414 /nfs/dbraw/zinc/09/04/14/172090414.db2.gz XQYLNNZOJABWHD-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CC[C@@H](OC)C2)n1 ZINC000361435944 172090416 /nfs/dbraw/zinc/09/04/16/172090416.db2.gz XQYLNNZOJABWHD-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cnn(C)c1C ZINC000293486404 172095970 /nfs/dbraw/zinc/09/59/70/172095970.db2.gz SJVALAVDRQFPMK-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000293486404 172095973 /nfs/dbraw/zinc/09/59/73/172095973.db2.gz SJVALAVDRQFPMK-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1occc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280468455 172117877 /nfs/dbraw/zinc/11/78/77/172117877.db2.gz GHDBWFNRVUFAJN-SNVBAGLBSA-N 1 2 247.298 1.857 20 0 BDADLO CCn1c(C)nnc1SCc1c[nH+]cn1C ZINC000360724780 172142621 /nfs/dbraw/zinc/14/26/21/172142621.db2.gz FIFGXTUQGFZBSL-UHFFFAOYSA-N 1 2 237.332 1.632 20 0 BDADLO CCn1cc(C(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000114351784 172156370 /nfs/dbraw/zinc/15/63/70/172156370.db2.gz QXUZALBOMGGLMH-UHFFFAOYSA-N 1 2 230.271 1.859 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000093417851 172164861 /nfs/dbraw/zinc/16/48/61/172164861.db2.gz QRYQWHKSWNDOIM-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000093417851 172164864 /nfs/dbraw/zinc/16/48/64/172164864.db2.gz QRYQWHKSWNDOIM-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000190034968 172165560 /nfs/dbraw/zinc/16/55/60/172165560.db2.gz HUDWPXKGOWIKRK-CYBMUJFWSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000190034968 172165564 /nfs/dbraw/zinc/16/55/64/172165564.db2.gz HUDWPXKGOWIKRK-CYBMUJFWSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1cc(C[NH2+]Cc2cn(C(C)C)nn2)cn1 ZINC000342095544 172171580 /nfs/dbraw/zinc/17/15/80/172171580.db2.gz GAICWSHPOMGQES-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1ccon1 ZINC000336709963 172217703 /nfs/dbraw/zinc/21/77/03/172217703.db2.gz YJHCUSYKYPJOKX-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CCn1cc[nH+]c1CN(C)C(C)(C)C(=O)OC ZINC000353155920 172217795 /nfs/dbraw/zinc/21/77/95/172217795.db2.gz PWIVNGVJPMAWKO-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO CCn1ccnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000106884089 172221075 /nfs/dbraw/zinc/22/10/75/172221075.db2.gz NCUYLWBRVBWXKK-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ccnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000106884089 172221079 /nfs/dbraw/zinc/22/10/79/172221079.db2.gz NCUYLWBRVBWXKK-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ccnc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378482529 172221163 /nfs/dbraw/zinc/22/11/63/172221163.db2.gz MORYSHCPYODTTI-LLVKDONJSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC=CCC1 ZINC000297372387 172221693 /nfs/dbraw/zinc/22/16/93/172221693.db2.gz VCISALJOJGRJQR-LLVKDONJSA-N 1 2 248.330 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCC1CC1 ZINC000295565616 172222387 /nfs/dbraw/zinc/22/23/87/172222387.db2.gz FTYMRTAIGQUTNE-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H](C)SC ZINC000295699255 172222348 /nfs/dbraw/zinc/22/23/48/172222348.db2.gz ITTJQJTYPJYOEN-SECBINFHSA-N 1 2 241.360 1.661 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccc(F)cn1 ZINC000295762696 172222633 /nfs/dbraw/zinc/22/26/33/172222633.db2.gz WCNDWZNBHPQPJU-UHFFFAOYSA-N 1 2 248.261 1.367 20 0 BDADLO CCn1cnnc1CCNc1cccc[nH+]1 ZINC000301517194 172235454 /nfs/dbraw/zinc/23/54/54/172235454.db2.gz DEJKJAYSSDFLAQ-UHFFFAOYSA-N 1 2 217.276 1.348 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000353451721 172236262 /nfs/dbraw/zinc/23/62/62/172236262.db2.gz XHSVKJCHDFHERT-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000230751346 172236710 /nfs/dbraw/zinc/23/67/10/172236710.db2.gz DZWYIQFXXZDPSQ-JTQLQIEISA-N 1 2 246.314 1.854 20 0 BDADLO CCn1nc(C)c(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000293929951 172243132 /nfs/dbraw/zinc/24/31/32/172243132.db2.gz XUCMWFOORGANLM-UHFFFAOYSA-N 1 2 245.286 1.562 20 0 BDADLO CCn1nccc1C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000352368487 172264043 /nfs/dbraw/zinc/26/40/43/172264043.db2.gz IMPKUFRCQMHMAG-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO CCn1nccc1C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000352368487 172264047 /nfs/dbraw/zinc/26/40/47/172264047.db2.gz IMPKUFRCQMHMAG-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO CCn1nccc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000131120291 172264974 /nfs/dbraw/zinc/26/49/74/172264974.db2.gz MEAIYYWGVBYYEN-QLJPJBMISA-N 1 2 243.376 1.102 20 0 BDADLO CCn1nccc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000131120291 172264976 /nfs/dbraw/zinc/26/49/76/172264976.db2.gz MEAIYYWGVBYYEN-QLJPJBMISA-N 1 2 243.376 1.102 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000278318650 172279312 /nfs/dbraw/zinc/27/93/12/172279312.db2.gz BZVZMPLHILUAEC-LBPRGKRZSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000278318650 172279315 /nfs/dbraw/zinc/27/93/15/172279315.db2.gz BZVZMPLHILUAEC-LBPRGKRZSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000359067674 172283502 /nfs/dbraw/zinc/28/35/02/172283502.db2.gz KFPYIUMCGOGBBM-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@H]1CCOC1 ZINC000365822125 172333955 /nfs/dbraw/zinc/33/39/55/172333955.db2.gz UMFUOOFSIMUZRL-QWRGUYRKSA-N 1 2 249.314 1.008 20 0 BDADLO CN(C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336537160 172377652 /nfs/dbraw/zinc/37/76/52/172377652.db2.gz UGIMJUAXMKTZEC-QMMMGPOBSA-N 1 2 208.265 1.228 20 0 BDADLO CN(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368804366 172380862 /nfs/dbraw/zinc/38/08/62/172380862.db2.gz GNMHZYCYUKMUGU-UHFFFAOYSA-N 1 2 245.286 1.039 20 0 BDADLO CN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265831012 172392677 /nfs/dbraw/zinc/39/26/77/172392677.db2.gz QCSMNFORXOUPDU-UHFFFAOYSA-N 1 2 248.326 1.221 20 0 BDADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1(C)CCCC1 ZINC000336540464 173100366 /nfs/dbraw/zinc/10/03/66/173100366.db2.gz FVYGZYVZKIRUBS-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1(C)CCCC1 ZINC000336540464 173100367 /nfs/dbraw/zinc/10/03/67/173100367.db2.gz FVYGZYVZKIRUBS-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2c2ccccc2F)C1=O ZINC000363312872 173150998 /nfs/dbraw/zinc/15/09/98/173150998.db2.gz CBNJBQJPQBNAOQ-OLZOCXBDSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@H]([N@H+]2CC[C@@H]2c2ccccc2F)C1=O ZINC000363312872 173151000 /nfs/dbraw/zinc/15/10/00/173151000.db2.gz CBNJBQJPQBNAOQ-OLZOCXBDSA-N 1 2 248.301 1.803 20 0 BDADLO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)C1 ZINC000050920663 173152144 /nfs/dbraw/zinc/15/21/44/173152144.db2.gz VKIJPAKFUJQHLI-LBPRGKRZSA-N 1 2 234.299 1.179 20 0 BDADLO C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)C1 ZINC000050920663 173152147 /nfs/dbraw/zinc/15/21/47/173152147.db2.gz VKIJPAKFUJQHLI-LBPRGKRZSA-N 1 2 234.299 1.179 20 0 BDADLO CNC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000299452087 173270755 /nfs/dbraw/zinc/27/07/55/173270755.db2.gz WSGIIGBLEOIGSP-MRVPVSSYSA-N 1 2 242.269 1.704 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000299452087 173270758 /nfs/dbraw/zinc/27/07/58/173270758.db2.gz WSGIIGBLEOIGSP-MRVPVSSYSA-N 1 2 242.269 1.704 20 0 BDADLO CNC(=O)C[C@@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000272077799 173281453 /nfs/dbraw/zinc/28/14/53/173281453.db2.gz FAPCYMBVRGTCOR-SNVBAGLBSA-N 1 2 248.326 1.948 20 0 BDADLO CNC(=O)c1ccc(C[NH+]2CC(C)(OC)C2)cc1 ZINC000362312544 173310511 /nfs/dbraw/zinc/31/05/11/173310511.db2.gz KWOHJJFJAQOPHV-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO C[NH2+]Cc1noc(C(C)(C)C2CCC2)n1 ZINC000322813317 173399658 /nfs/dbraw/zinc/39/96/58/173399658.db2.gz ZRGBTYWVDPJHMK-UHFFFAOYSA-N 1 2 209.293 1.867 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000354878556 173506478 /nfs/dbraw/zinc/50/64/78/173506478.db2.gz GYYVYFXPBWQRJS-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](O)CC1 ZINC000568249412 322930747 /nfs/dbraw/zinc/93/07/47/322930747.db2.gz PUYMFKSQYWDTKH-NSHDSACASA-N 1 2 221.304 1.445 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)C(F)(F)F)C1CC1 ZINC000309633598 173804918 /nfs/dbraw/zinc/80/49/18/173804918.db2.gz IQOLWUOGNMBFEV-POYBYMJQSA-N 1 2 239.237 1.726 20 0 BDADLO COC1(CNc2cc(C)[nH+]cn2)CCOCC1 ZINC000120597469 174005317 /nfs/dbraw/zinc/00/53/17/174005317.db2.gz LVRAMBHHPRFBGT-UHFFFAOYSA-N 1 2 237.303 1.393 20 0 BDADLO COC1(c2noc(Cn3cc[nH+]c3)n2)CCC1 ZINC000278198650 174012029 /nfs/dbraw/zinc/01/20/29/174012029.db2.gz VKNNDKGSUJAKCA-UHFFFAOYSA-N 1 2 234.259 1.340 20 0 BDADLO COC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000294560259 174028692 /nfs/dbraw/zinc/02/86/92/174028692.db2.gz MGGYHGDNHHKGCK-UHFFFAOYSA-N 1 2 242.269 1.971 20 0 BDADLO COC1CN(Cc2c(C)[nH+]c3ccccn32)C1 ZINC000336329267 174034638 /nfs/dbraw/zinc/03/46/38/174034638.db2.gz RCVOMBVHQDGDCQ-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO COC1C[NH+](Cc2c(C)nc3ccccn32)C1 ZINC000336329267 174034641 /nfs/dbraw/zinc/03/46/41/174034641.db2.gz RCVOMBVHQDGDCQ-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO COCC1(O)C[NH+](Cc2cc(F)ccc2C)C1 ZINC000297593189 174112449 /nfs/dbraw/zinc/11/24/49/174112449.db2.gz SXVGVBDYKFLUIV-UHFFFAOYSA-N 1 2 239.290 1.327 20 0 BDADLO COCC1(O)C[NH+](Cc2cccc(Cl)c2)C1 ZINC000297487323 174113848 /nfs/dbraw/zinc/11/38/48/174113848.db2.gz UUMFBTSMZOCDKM-UHFFFAOYSA-N 1 2 241.718 1.533 20 0 BDADLO COCC1=CC[N@H+](Cc2cc[nH]n2)CC1 ZINC000187614371 174117033 /nfs/dbraw/zinc/11/70/33/174117033.db2.gz OYRSYASWHZWSJL-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO COCC1=CC[N@@H+](Cc2cc[nH]n2)CC1 ZINC000187614371 174117034 /nfs/dbraw/zinc/11/70/34/174117034.db2.gz OYRSYASWHZWSJL-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO COCC1=CC[N@H+](Cc2nc(C3CC3)no2)CC1 ZINC000187690057 174117085 /nfs/dbraw/zinc/11/70/85/174117085.db2.gz DSRAOJLOLYTGBG-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO COCC1=CC[N@@H+](Cc2nc(C3CC3)no2)CC1 ZINC000187690057 174117089 /nfs/dbraw/zinc/11/70/89/174117089.db2.gz DSRAOJLOLYTGBG-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO COCC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000093103838 174121180 /nfs/dbraw/zinc/12/11/80/174121180.db2.gz YSWKPSURRLENFJ-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO COCCCC(=O)Nc1cc[nH+]cc1C ZINC000107289445 174168576 /nfs/dbraw/zinc/16/85/76/174168576.db2.gz RLKZVHQCXXINBC-UHFFFAOYSA-N 1 2 208.261 1.755 20 0 BDADLO COCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366694150 174190151 /nfs/dbraw/zinc/19/01/51/174190151.db2.gz VQHARJHSMMUCRX-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO COCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366694150 174190155 /nfs/dbraw/zinc/19/01/55/174190155.db2.gz VQHARJHSMMUCRX-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO COCCCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000365305477 174191135 /nfs/dbraw/zinc/19/11/35/174191135.db2.gz HGGGKLBYJXRSFT-JTQLQIEISA-N 1 2 225.292 1.633 20 0 BDADLO COCCCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000365305477 174191137 /nfs/dbraw/zinc/19/11/37/174191137.db2.gz HGGGKLBYJXRSFT-JTQLQIEISA-N 1 2 225.292 1.633 20 0 BDADLO COCCCCNC(=O)Nc1cc[nH+]cc1C ZINC000121460163 174197651 /nfs/dbraw/zinc/19/76/51/174197651.db2.gz WGLZCJZVVWCRPA-UHFFFAOYSA-N 1 2 237.303 1.938 20 0 BDADLO COCCCOCC[N@H+](C)Cc1cn[nH]c1C ZINC000181522150 174253966 /nfs/dbraw/zinc/25/39/66/174253966.db2.gz KVISFHVRZJEWSN-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1cn[nH]c1C ZINC000181522150 174253967 /nfs/dbraw/zinc/25/39/67/174253967.db2.gz KVISFHVRZJEWSN-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCC[N@H+](C)CCN[C@H](C)c1cncs1 ZINC000133219528 174279747 /nfs/dbraw/zinc/27/97/47/174279747.db2.gz PUNLFWHOXKOSDA-SNVBAGLBSA-N 1 2 243.376 1.372 20 0 BDADLO COCC[N@@H+](C)CCN[C@H](C)c1cncs1 ZINC000133219528 174279749 /nfs/dbraw/zinc/27/97/49/174279749.db2.gz PUNLFWHOXKOSDA-SNVBAGLBSA-N 1 2 243.376 1.372 20 0 BDADLO COCC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000294967171 174281339 /nfs/dbraw/zinc/28/13/39/174281339.db2.gz RFOVDCJLLWKXEY-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO COCC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294967171 174281340 /nfs/dbraw/zinc/28/13/40/174281340.db2.gz RFOVDCJLLWKXEY-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO COCCN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000270308280 174283906 /nfs/dbraw/zinc/28/39/06/174283906.db2.gz RTHIBVRVCFAXFJ-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO COCCN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000270308280 174283908 /nfs/dbraw/zinc/28/39/08/174283908.db2.gz RTHIBVRVCFAXFJ-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO COCC[N@H+](CC(F)F)CC1CCOCC1 ZINC000112697710 174288250 /nfs/dbraw/zinc/28/82/50/174288250.db2.gz YRHKYKKKARACLE-UHFFFAOYSA-N 1 2 237.290 1.627 20 0 BDADLO COCC[N@@H+](CC(F)F)CC1CCOCC1 ZINC000112697710 174288252 /nfs/dbraw/zinc/28/82/52/174288252.db2.gz YRHKYKKKARACLE-UHFFFAOYSA-N 1 2 237.290 1.627 20 0 BDADLO COCC[N@H+](CCC(C)(C)O)CC(F)F ZINC000360455740 174289713 /nfs/dbraw/zinc/28/97/13/174289713.db2.gz PCYZCQFJGVKEQS-UHFFFAOYSA-N 1 2 225.279 1.361 20 0 BDADLO COCC[N@@H+](CCC(C)(C)O)CC(F)F ZINC000360455740 174289714 /nfs/dbraw/zinc/28/97/14/174289714.db2.gz PCYZCQFJGVKEQS-UHFFFAOYSA-N 1 2 225.279 1.361 20 0 BDADLO COCC[N@H+](CCO)Cc1nc(C)sc1C ZINC000336703633 174294682 /nfs/dbraw/zinc/29/46/82/174294682.db2.gz JXFPGDBCBNJXCS-UHFFFAOYSA-N 1 2 244.360 1.201 20 0 BDADLO COCC[N@@H+](CCO)Cc1nc(C)sc1C ZINC000336703633 174294684 /nfs/dbraw/zinc/29/46/84/174294684.db2.gz JXFPGDBCBNJXCS-UHFFFAOYSA-N 1 2 244.360 1.201 20 0 BDADLO COCC[N@@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000361953786 174304448 /nfs/dbraw/zinc/30/44/48/174304448.db2.gz BKHVDDGIOVFRMH-SNVBAGLBSA-N 1 2 224.308 1.287 20 0 BDADLO COCC[N@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000361953786 174304450 /nfs/dbraw/zinc/30/44/50/174304450.db2.gz BKHVDDGIOVFRMH-SNVBAGLBSA-N 1 2 224.308 1.287 20 0 BDADLO COCCN1CC[NH+](Cc2ncccc2C)CC1 ZINC000093158715 174310650 /nfs/dbraw/zinc/31/06/50/174310650.db2.gz VNQSBXCYHOQART-UHFFFAOYSA-N 1 2 249.358 1.154 20 0 BDADLO COCCN1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000267394502 174310842 /nfs/dbraw/zinc/31/08/42/174310842.db2.gz OECWHZKIMTVMEO-CYBMUJFWSA-N 1 2 249.358 1.407 20 0 BDADLO COCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847960 174311301 /nfs/dbraw/zinc/31/13/01/174311301.db2.gz MYOISROSUQSLRC-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847960 174311302 /nfs/dbraw/zinc/31/13/02/174311302.db2.gz MYOISROSUQSLRC-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO COCCOCC[N@H+](C)Cc1nccs1 ZINC000175786539 174352589 /nfs/dbraw/zinc/35/25/89/174352589.db2.gz YJYOIEGHCKWBHM-UHFFFAOYSA-N 1 2 230.333 1.238 20 0 BDADLO COCCOCC[N@@H+](C)Cc1nccs1 ZINC000175786539 174352590 /nfs/dbraw/zinc/35/25/90/174352590.db2.gz YJYOIEGHCKWBHM-UHFFFAOYSA-N 1 2 230.333 1.238 20 0 BDADLO COCCO[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000275857003 174366953 /nfs/dbraw/zinc/36/69/53/174366953.db2.gz STIDJCGVRZOGQP-NSHDSACASA-N 1 2 222.288 1.323 20 0 BDADLO COCC[C@@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363105762 174379206 /nfs/dbraw/zinc/37/92/06/174379206.db2.gz AAQATZRXDFILCB-LLVKDONJSA-N 1 2 246.314 1.526 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(=O)OC ZINC000338952113 174585080 /nfs/dbraw/zinc/58/50/80/174585080.db2.gz NSOILDVXIQFZDH-UTUOFQBUSA-N 1 2 241.331 1.343 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(C)c1 ZINC000359287958 175061384 /nfs/dbraw/zinc/06/13/84/175061384.db2.gz JVYOKSHWRJOISG-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084811 175099962 /nfs/dbraw/zinc/09/99/62/175099962.db2.gz DIRBDFKMQOUQNF-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084811 175099963 /nfs/dbraw/zinc/09/99/63/175099963.db2.gz DIRBDFKMQOUQNF-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)nc1 ZINC000272051846 175101438 /nfs/dbraw/zinc/10/14/38/175101438.db2.gz QNAZVUHCKFYZJX-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)nc1 ZINC000272051846 175101441 /nfs/dbraw/zinc/10/14/41/175101441.db2.gz QNAZVUHCKFYZJX-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)nc1 ZINC000271924131 175102080 /nfs/dbraw/zinc/10/20/80/175102080.db2.gz KYZVGEAVTWCXKW-KGLIPLIRSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)nc1 ZINC000271924131 175102081 /nfs/dbraw/zinc/10/20/81/175102081.db2.gz KYZVGEAVTWCXKW-KGLIPLIRSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccco2)c(OC)n1 ZINC000289699557 175107762 /nfs/dbraw/zinc/10/77/62/175107762.db2.gz SYLPGEAZROXTIH-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1cc[nH]n1 ZINC000189209465 175129861 /nfs/dbraw/zinc/12/98/61/175129861.db2.gz GWWORVZYZUGWLQ-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO COc1ccc(N(C#N)Cc2c[nH+]cn2C)cc1 ZINC000358590579 175135478 /nfs/dbraw/zinc/13/54/78/175135478.db2.gz ORZDNDJRAININL-UHFFFAOYSA-N 1 2 242.282 1.916 20 0 BDADLO COc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1F ZINC000341872656 175245197 /nfs/dbraw/zinc/24/51/97/175245197.db2.gz HDGXDSVAKUWGRW-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1F ZINC000341872656 175245201 /nfs/dbraw/zinc/24/52/01/175245201.db2.gz HDGXDSVAKUWGRW-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000336783936 175255402 /nfs/dbraw/zinc/25/54/02/175255402.db2.gz LHCSXGYALCFJLQ-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000336783936 175255404 /nfs/dbraw/zinc/25/54/04/175255404.db2.gz LHCSXGYALCFJLQ-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[NH2+]Cc2cc(C)no2)n1 ZINC000070093504 175265563 /nfs/dbraw/zinc/26/55/63/175265563.db2.gz GLVDOERWZROOFL-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COc1ccccc1CC[NH+]1CCC(=O)CC1 ZINC000041260677 175322877 /nfs/dbraw/zinc/32/28/77/175322877.db2.gz RVTGHCAKZSMNBO-UHFFFAOYSA-N 1 2 233.311 1.903 20 0 BDADLO COc1ccccc1C[N@H+](C)CC(=O)N1CCC1 ZINC000298302140 175325088 /nfs/dbraw/zinc/32/50/88/175325088.db2.gz RDJMFTSPIPEGOF-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO COc1ccccc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000298302140 175325090 /nfs/dbraw/zinc/32/50/90/175325090.db2.gz RDJMFTSPIPEGOF-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO COc1ccccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000294962529 175325450 /nfs/dbraw/zinc/32/54/50/175325450.db2.gz IKCAMGCEQSGQKU-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000294962529 175325453 /nfs/dbraw/zinc/32/54/53/175325453.db2.gz IKCAMGCEQSGQKU-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1C[NH+]1CC(n2ccnn2)C1 ZINC000378545433 175325985 /nfs/dbraw/zinc/32/59/85/175325985.db2.gz DWMAJFCZHHFXFH-UHFFFAOYSA-N 1 2 244.298 1.344 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1cnn[nH]1 ZINC000295623248 175344632 /nfs/dbraw/zinc/34/46/32/175344632.db2.gz AHCRWGBVIXGYJD-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1cc[nH+]c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000342107402 175360460 /nfs/dbraw/zinc/36/04/60/175360460.db2.gz CHWLOXVWWKOEGM-BETUJISGSA-N 1 2 234.299 1.453 20 0 BDADLO COc1ccncc1C[NH2+]Cc1cocn1 ZINC000336666063 175371587 /nfs/dbraw/zinc/37/15/87/175371587.db2.gz DYWAKBQPAYHICM-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000293278716 175371819 /nfs/dbraw/zinc/37/18/19/175371819.db2.gz GWXSQYDWJQGBRR-NEPJUHHUSA-N 1 2 248.326 1.999 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(C)COC1 ZINC000272874286 175374405 /nfs/dbraw/zinc/37/44/05/175374405.db2.gz VKKYNCQGYVLCNP-UHFFFAOYSA-N 1 2 222.244 1.065 20 0 BDADLO COc1cc[nH+]cc1Cn1nnnc1C(C)(C)C ZINC000288680919 175374832 /nfs/dbraw/zinc/37/48/32/175374832.db2.gz SPWMTHGKRSOYEX-UHFFFAOYSA-N 1 2 247.302 1.423 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC[C@H](C)OC ZINC000181271712 175375010 /nfs/dbraw/zinc/37/50/10/175375010.db2.gz NTFFRTUGWWGJSY-VIFPVBQESA-N 1 2 238.287 1.844 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C(C)(F)F ZINC000293276289 175375345 /nfs/dbraw/zinc/37/53/45/175375345.db2.gz CFNJUYFMYZPETH-UHFFFAOYSA-N 1 2 216.187 1.684 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cncnc1 ZINC000354694620 175376344 /nfs/dbraw/zinc/37/63/44/175376344.db2.gz QJEFCNYARJDXOX-UHFFFAOYSA-N 1 2 230.227 1.133 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2cnccn2)c1 ZINC000290264526 175384309 /nfs/dbraw/zinc/38/43/09/175384309.db2.gz KZPJGZWXQWILQO-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2cnccn2)c1 ZINC000290264526 175384312 /nfs/dbraw/zinc/38/43/12/175384312.db2.gz KZPJGZWXQWILQO-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CSC[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000300743917 175518892 /nfs/dbraw/zinc/51/88/92/175518892.db2.gz JJRIXMLHOLSJMO-QMMMGPOBSA-N 1 2 227.333 1.367 20 0 BDADLO FC1(F)CC12CN(Cc1c[nH+]c3n1CCC3)C2 ZINC000668293628 487630763 /nfs/dbraw/zinc/63/07/63/487630763.db2.gz GIQYITGUNJJVQI-UHFFFAOYSA-N 1 2 239.269 1.670 20 0 BDADLO FC1(F)CC12C[NH+](Cc1cnc3n1CCC3)C2 ZINC000668293628 487630768 /nfs/dbraw/zinc/63/07/68/487630768.db2.gz GIQYITGUNJJVQI-UHFFFAOYSA-N 1 2 239.269 1.670 20 0 BDADLO C[C@@H](C1CCC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000356539370 175635029 /nfs/dbraw/zinc/63/50/29/175635029.db2.gz AVFSCPWZPKPBAU-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCO ZINC000267138328 176011807 /nfs/dbraw/zinc/01/18/07/176011807.db2.gz GYLUSPMKKYNFFY-QMMMGPOBSA-N 1 2 215.243 1.950 20 0 BDADLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCO ZINC000267138328 176011808 /nfs/dbraw/zinc/01/18/08/176011808.db2.gz GYLUSPMKKYNFFY-QMMMGPOBSA-N 1 2 215.243 1.950 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000093234544 176029350 /nfs/dbraw/zinc/02/93/50/176029350.db2.gz IISHCMMYOFGADV-NSHDSACASA-N 1 2 247.342 1.695 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000093234544 176029352 /nfs/dbraw/zinc/02/93/52/176029352.db2.gz IISHCMMYOFGADV-NSHDSACASA-N 1 2 247.342 1.695 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CCCS(C)(=O)=O ZINC000103141730 176031209 /nfs/dbraw/zinc/03/12/09/176031209.db2.gz DPNNXUCNDBPZNA-JTQLQIEISA-N 1 2 245.344 1.707 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CCCS(C)(=O)=O ZINC000103141730 176031210 /nfs/dbraw/zinc/03/12/10/176031210.db2.gz DPNNXUCNDBPZNA-JTQLQIEISA-N 1 2 245.344 1.707 20 0 BDADLO C[C@@H](c1cccs1)[N@H+](C)Cc1nnnn1C ZINC000355905707 176033062 /nfs/dbraw/zinc/03/30/62/176033062.db2.gz HJEXOGITPMHAJC-QMMMGPOBSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nnnn1C ZINC000355905707 176033064 /nfs/dbraw/zinc/03/30/64/176033064.db2.gz HJEXOGITPMHAJC-QMMMGPOBSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnnn1C ZINC000273454464 176035552 /nfs/dbraw/zinc/03/55/52/176035552.db2.gz ZRYKGSWNZJQFKC-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnnn1C ZINC000273454464 176035553 /nfs/dbraw/zinc/03/55/53/176035553.db2.gz ZRYKGSWNZJQFKC-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@H](C)C1 ZINC000184392707 176037577 /nfs/dbraw/zinc/03/75/77/176037577.db2.gz DDYTVFXIJMVAKC-ZJUUUORDSA-N 1 2 207.277 1.258 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@H](C)C1 ZINC000184392707 176037579 /nfs/dbraw/zinc/03/75/79/176037579.db2.gz DDYTVFXIJMVAKC-ZJUUUORDSA-N 1 2 207.277 1.258 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000280124634 176042540 /nfs/dbraw/zinc/04/25/40/176042540.db2.gz CRWSZHGAKITGIW-WDEREUQCSA-N 1 2 249.314 1.005 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178526283 176045907 /nfs/dbraw/zinc/04/59/07/176045907.db2.gz ZLJNENUMDITKLA-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178526283 176045908 /nfs/dbraw/zinc/04/59/08/176045908.db2.gz ZLJNENUMDITKLA-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)c1ccccc1 ZINC000165475629 176046465 /nfs/dbraw/zinc/04/64/65/176046465.db2.gz TXTHRDMXGCUCNC-LLVKDONJSA-N 1 2 246.310 1.080 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000165475629 176046467 /nfs/dbraw/zinc/04/64/67/176046467.db2.gz TXTHRDMXGCUCNC-LLVKDONJSA-N 1 2 246.310 1.080 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000362959297 176073237 /nfs/dbraw/zinc/07/32/37/176073237.db2.gz XJOVXEADUJPAHP-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO C[C@@H]1CCCC[N@H+]1Cc1ncnn1CC(F)F ZINC000362959297 176073239 /nfs/dbraw/zinc/07/32/39/176073239.db2.gz XJOVXEADUJPAHP-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO C[C@@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000014193734 176096199 /nfs/dbraw/zinc/09/61/99/176096199.db2.gz XEJQUAYGWPNUJU-MRVPVSSYSA-N 1 2 240.332 1.209 20 0 BDADLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000014193734 176096201 /nfs/dbraw/zinc/09/62/01/176096201.db2.gz XEJQUAYGWPNUJU-MRVPVSSYSA-N 1 2 240.332 1.209 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000362969299 176103376 /nfs/dbraw/zinc/10/33/76/176103376.db2.gz KLULLNYZAHQYHL-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000362969299 176103377 /nfs/dbraw/zinc/10/33/77/176103377.db2.gz KLULLNYZAHQYHL-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1[nH+]ccn1C ZINC000335905050 176134307 /nfs/dbraw/zinc/13/43/07/176134307.db2.gz XXRYMBJQMZQSDV-ZWNOBZJWSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000123383210 176154497 /nfs/dbraw/zinc/15/44/97/176154497.db2.gz KTBCPDCDBWAAIR-ZYHUDNBSSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000263839653 176155328 /nfs/dbraw/zinc/15/53/28/176155328.db2.gz WMRSSNDKRKPFNB-SNVBAGLBSA-N 1 2 207.277 1.142 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000360474544 176204787 /nfs/dbraw/zinc/20/47/87/176204787.db2.gz PWRRLPHYTNRVHN-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2csnn2)C1 ZINC000356351970 176207099 /nfs/dbraw/zinc/20/70/99/176207099.db2.gz ARGLQAARVHRUEL-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2csnn2)C1 ZINC000356351970 176207100 /nfs/dbraw/zinc/20/71/00/176207100.db2.gz ARGLQAARVHRUEL-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336386650 176219546 /nfs/dbraw/zinc/21/95/46/176219546.db2.gz OQOXHVAHXBTJDR-MNOVXSKESA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCS1 ZINC000264221663 176246293 /nfs/dbraw/zinc/24/62/93/176246293.db2.gz PNGKGYKCNVOQME-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000276556375 176246346 /nfs/dbraw/zinc/24/63/46/176246346.db2.gz LBALZFOPZKIPKZ-GHMZBOCLSA-N 1 2 235.331 1.467 20 0 BDADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC000266893526 176246797 /nfs/dbraw/zinc/24/67/97/176246797.db2.gz FTZHWWKDLONQIS-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CC[S@@]1=O ZINC000359867323 176297771 /nfs/dbraw/zinc/29/77/71/176297771.db2.gz BSRMBGOLVVAMQJ-GDLVEWKHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)CC[S@@]1=O ZINC000359867323 176297773 /nfs/dbraw/zinc/29/77/73/176297773.db2.gz BSRMBGOLVVAMQJ-GDLVEWKHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCC1=O ZINC000307944728 176298876 /nfs/dbraw/zinc/29/88/76/176298876.db2.gz HHCVNKGPCZJVJM-HTQZYQBOSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCC1=O ZINC000307944728 176298878 /nfs/dbraw/zinc/29/88/78/176298878.db2.gz HHCVNKGPCZJVJM-HTQZYQBOSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3nccn32)[C@H](C)CO1 ZINC000179733066 176306614 /nfs/dbraw/zinc/30/66/14/176306614.db2.gz ODDZBFQNWQSKLZ-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3nccn32)[C@H](C)CO1 ZINC000179733066 176306616 /nfs/dbraw/zinc/30/66/16/176306616.db2.gz ODDZBFQNWQSKLZ-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CN(Cc2cccc3[nH+]ccn32)[C@H](C)CO1 ZINC000179733066 176306617 /nfs/dbraw/zinc/30/66/17/176306617.db2.gz ODDZBFQNWQSKLZ-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CCC1=O ZINC000283235833 176308572 /nfs/dbraw/zinc/30/85/72/176308572.db2.gz TWPGHBLYUJBXPV-SECBINFHSA-N 1 2 219.288 1.075 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CCC1=O ZINC000283235833 176308574 /nfs/dbraw/zinc/30/85/74/176308574.db2.gz TWPGHBLYUJBXPV-SECBINFHSA-N 1 2 219.288 1.075 20 0 BDADLO C[C@@H]1C[NH+](Cc2cn3cccnc3n2)C[C@@H](C)O1 ZINC000123841761 176309329 /nfs/dbraw/zinc/30/93/29/176309329.db2.gz JGTOHDHKKFHBSC-GHMZBOCLSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2CCF)[C@@H]1C ZINC000339572423 176312883 /nfs/dbraw/zinc/31/28/83/176312883.db2.gz VDPLXFJCEZIELN-RKDXNWHRSA-N 1 2 212.272 1.088 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2CCF)[C@@H]1C ZINC000339572423 176312884 /nfs/dbraw/zinc/31/28/84/176312884.db2.gz VDPLXFJCEZIELN-RKDXNWHRSA-N 1 2 212.272 1.088 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1O ZINC000351808599 176313192 /nfs/dbraw/zinc/31/31/92/176313192.db2.gz JRUYUGATZQDGKZ-RKDXNWHRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1O ZINC000351808599 176313194 /nfs/dbraw/zinc/31/31/94/176313194.db2.gz JRUYUGATZQDGKZ-RKDXNWHRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C(C)(C)C1 ZINC000267104727 176322141 /nfs/dbraw/zinc/32/21/41/176322141.db2.gz XJWQZTRIPHIXEV-VIFPVBQESA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCc1cscn1 ZINC000283909006 176335810 /nfs/dbraw/zinc/33/58/10/176335810.db2.gz FZFDMGOGMAXCPZ-SECBINFHSA-N 1 2 212.318 1.406 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCc1cscn1 ZINC000283909006 176335811 /nfs/dbraw/zinc/33/58/11/176335811.db2.gz FZFDMGOGMAXCPZ-SECBINFHSA-N 1 2 212.318 1.406 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235287516 176398674 /nfs/dbraw/zinc/39/86/74/176398674.db2.gz BTGMHHNQGUPRAH-PHDIDXHHSA-N 1 2 212.684 1.780 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235287516 176398675 /nfs/dbraw/zinc/39/86/75/176398675.db2.gz BTGMHHNQGUPRAH-PHDIDXHHSA-N 1 2 212.684 1.780 20 0 BDADLO C[C@H]([NH2+]CCF)c1nnc2ccccn21 ZINC000309072010 176847624 /nfs/dbraw/zinc/84/76/24/176847624.db2.gz FFVJERRMXKHWFR-QMMMGPOBSA-N 1 2 208.240 1.349 20 0 BDADLO C[C@H](O)[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295002016 177016101 /nfs/dbraw/zinc/01/61/01/177016101.db2.gz OFMYICQMCQEBBH-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295002016 177016102 /nfs/dbraw/zinc/01/61/02/177016102.db2.gz OFMYICQMCQEBBH-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000274352965 177052711 /nfs/dbraw/zinc/05/27/11/177052711.db2.gz SZAHHUCWOYPRMN-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCc2n[nH]cc2C1 ZINC000274352965 177052712 /nfs/dbraw/zinc/05/27/12/177052712.db2.gz SZAHHUCWOYPRMN-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCCc2occc2C1 ZINC000288963236 177053949 /nfs/dbraw/zinc/05/39/49/177053949.db2.gz YIDQEVLEEOLYAK-SNVBAGLBSA-N 1 2 246.314 1.918 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCCc2occc2C1 ZINC000288963236 177053950 /nfs/dbraw/zinc/05/39/50/177053950.db2.gz YIDQEVLEEOLYAK-SNVBAGLBSA-N 1 2 246.314 1.918 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000188572724 177055629 /nfs/dbraw/zinc/05/56/29/177055629.db2.gz NHXUPZNNJZBNCJ-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCc2ccccc2C1 ZINC000188572724 177055631 /nfs/dbraw/zinc/05/56/31/177055631.db2.gz NHXUPZNNJZBNCJ-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)c1ccccc1 ZINC000165475753 177059161 /nfs/dbraw/zinc/05/91/61/177059161.db2.gz TXTHRDMXGCUCNC-NSHDSACASA-N 1 2 246.310 1.080 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000165475753 177059163 /nfs/dbraw/zinc/05/91/63/177059163.db2.gz TXTHRDMXGCUCNC-NSHDSACASA-N 1 2 246.310 1.080 20 0 BDADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000076830000 177080714 /nfs/dbraw/zinc/08/07/14/177080714.db2.gz KQFIUDCMISPVNG-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279211899 177091850 /nfs/dbraw/zinc/09/18/50/177091850.db2.gz NWMGBRCFKLYUGH-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000174037099 177106858 /nfs/dbraw/zinc/10/68/58/177106858.db2.gz WDFVXMDQCKJLBL-JTQLQIEISA-N 1 2 222.292 1.077 20 0 BDADLO C[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000172812667 177112622 /nfs/dbraw/zinc/11/26/22/177112622.db2.gz SKYNUOICFABEAF-QMMMGPOBSA-N 1 2 217.276 1.352 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000280568458 177124128 /nfs/dbraw/zinc/12/41/28/177124128.db2.gz QXESVKOXTBFKLL-JQWIXIFHSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000336243954 177144601 /nfs/dbraw/zinc/14/46/01/177144601.db2.gz YQYUQBBCRCCCTR-CABZTGNLSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000332325194 177192698 /nfs/dbraw/zinc/19/26/98/177192698.db2.gz OLMSTWJHHPZHSS-WDEREUQCSA-N 1 2 236.319 1.371 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCNc2cccc[nH+]2)O1 ZINC000331089258 177197581 /nfs/dbraw/zinc/19/75/81/177197581.db2.gz TUYREAKBEXNSHD-WDEREUQCSA-N 1 2 249.314 1.177 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188678130 177198871 /nfs/dbraw/zinc/19/88/71/177198871.db2.gz XEZZWHFWEPTQRY-IUCAKERBSA-N 1 2 248.330 1.068 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339167252 177201951 /nfs/dbraw/zinc/20/19/51/177201951.db2.gz CIGCJEKVAWZIJB-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000336681936 177204970 /nfs/dbraw/zinc/20/49/70/177204970.db2.gz YHCRLBBARUMHOL-QWRGUYRKSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000366207682 177224505 /nfs/dbraw/zinc/22/45/05/177224505.db2.gz SEUMFINFAJVSAH-UWVGGRQHSA-N 1 2 249.314 1.077 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000132478746 177264615 /nfs/dbraw/zinc/26/46/15/177264615.db2.gz YTNSSRLKFMUXTJ-JTQLQIEISA-N 1 2 207.273 1.613 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000132478746 177264617 /nfs/dbraw/zinc/26/46/17/177264617.db2.gz YTNSSRLKFMUXTJ-JTQLQIEISA-N 1 2 207.273 1.613 20 0 BDADLO C[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000179646462 177265378 /nfs/dbraw/zinc/26/53/78/177265378.db2.gz SVHYWXKEHQIXLL-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3nccn32)CCO1 ZINC000179646462 177265379 /nfs/dbraw/zinc/26/53/79/177265379.db2.gz SVHYWXKEHQIXLL-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3nccn32)CCO1 ZINC000179646462 177265382 /nfs/dbraw/zinc/26/53/82/177265382.db2.gz SVHYWXKEHQIXLL-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccnc1 ZINC000298263762 177266119 /nfs/dbraw/zinc/26/61/19/177266119.db2.gz BZFJFUHCOPXORE-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccnc1 ZINC000298263762 177266120 /nfs/dbraw/zinc/26/61/20/177266120.db2.gz BZFJFUHCOPXORE-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnn1C ZINC000092018072 177267753 /nfs/dbraw/zinc/26/77/53/177267753.db2.gz CKBSRJPNAGBOTP-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnn1C ZINC000092018072 177267755 /nfs/dbraw/zinc/26/77/55/177267755.db2.gz CKBSRJPNAGBOTP-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccsc2)CC[S@](=O)C1 ZINC000277333633 177268137 /nfs/dbraw/zinc/26/81/37/177268137.db2.gz CTQYJMRLEAWCSN-BONVTDFDSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccsc2)CC[S@](=O)C1 ZINC000277333633 177268139 /nfs/dbraw/zinc/26/81/39/177268139.db2.gz CTQYJMRLEAWCSN-BONVTDFDSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[NH+](Cc2cncc(F)c2)C[C@H](C)O1 ZINC000274334645 177269585 /nfs/dbraw/zinc/26/95/85/177269585.db2.gz GTLZEVKFKHCMBW-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C(C)(C)C1 ZINC000332674626 177270872 /nfs/dbraw/zinc/27/08/72/177270872.db2.gz GCQPESBONHIEGC-SSDOTTSWSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C(C)(C)C1 ZINC000332674626 177270874 /nfs/dbraw/zinc/27/08/74/177270874.db2.gz GCQPESBONHIEGC-SSDOTTSWSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000299586945 177272527 /nfs/dbraw/zinc/27/25/27/177272527.db2.gz VXDJZHLHRVHAKI-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN1CCC[C@@H]1C(F)F ZINC000353197676 177291508 /nfs/dbraw/zinc/29/15/08/177291508.db2.gz WJNVJDNYNIFLLH-WDEREUQCSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN1CCC[C@@H]1C(F)F ZINC000353197676 177291510 /nfs/dbraw/zinc/29/15/10/177291510.db2.gz WJNVJDNYNIFLLH-WDEREUQCSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc2nsnc21 ZINC000268898542 177292789 /nfs/dbraw/zinc/29/27/89/177292789.db2.gz KXBUZEKPVIDMMR-VIFPVBQESA-N 1 2 249.339 1.912 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc2nsnc21 ZINC000268898542 177292791 /nfs/dbraw/zinc/29/27/91/177292791.db2.gz KXBUZEKPVIDMMR-VIFPVBQESA-N 1 2 249.339 1.912 20 0 BDADLO C[C@@H]1COC[C@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276529126 177297433 /nfs/dbraw/zinc/29/74/33/177297433.db2.gz DNZSFTOPIHNQRI-LDYOUVJNSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279197651 177310159 /nfs/dbraw/zinc/31/01/59/177310159.db2.gz MFMMFBMOVIDCRG-PHIMTYICSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331905625 177317065 /nfs/dbraw/zinc/31/70/65/177317065.db2.gz ZXZWHOPWYYJAGF-ZJUUUORDSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331905625 177317067 /nfs/dbraw/zinc/31/70/67/177317067.db2.gz ZXZWHOPWYYJAGF-ZJUUUORDSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(C2CC2)no1 ZINC000336622819 177319829 /nfs/dbraw/zinc/31/98/29/177319829.db2.gz XBGRQAWZTQNUGP-OCAPTIKFSA-N 1 2 207.277 1.930 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(C2CC2)no1 ZINC000336622819 177319830 /nfs/dbraw/zinc/31/98/30/177319830.db2.gz XBGRQAWZTQNUGP-OCAPTIKFSA-N 1 2 207.277 1.930 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000290934423 177321000 /nfs/dbraw/zinc/32/10/00/177321000.db2.gz NDOQHXUFCCIAJT-UMNHJUIQSA-N 1 2 249.314 1.039 20 0 BDADLO C[C@H]1C[C@@H](CO)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000291906006 177325690 /nfs/dbraw/zinc/32/56/90/177325690.db2.gz MFDKQXKKJRUWQQ-ZNRGBCAMSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000090969275 177391336 /nfs/dbraw/zinc/39/13/36/177391336.db2.gz QKQOPYBBMYOIBV-HZMBPMFUSA-N 1 2 242.326 1.838 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(CO)o2)[C@@H]1C ZINC000093418287 177399810 /nfs/dbraw/zinc/39/98/10/177399810.db2.gz JFTJDMUQIXUCAN-NXEZZACHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(CO)o2)[C@@H]1C ZINC000093418287 177399811 /nfs/dbraw/zinc/39/98/11/177399811.db2.gz JFTJDMUQIXUCAN-NXEZZACHSA-N 1 2 225.288 1.381 20 0 BDADLO C[S@@](=O)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000121605144 177493154 /nfs/dbraw/zinc/49/31/54/177493154.db2.gz XHZKYIRBQZYXDK-INIZCTEOSA-N 1 2 235.312 1.759 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C/C(C)(C)C ZINC000492527738 226013853 /nfs/dbraw/zinc/01/38/53/226013853.db2.gz BYYKSMLSJKPJAO-FNORWQNLSA-N 1 2 235.331 1.681 20 0 BDADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)c(=O)[nH]1 ZINC000492762235 226048277 /nfs/dbraw/zinc/04/82/77/226048277.db2.gz HPPGGPXEGJZABV-HWKANZROSA-N 1 2 244.254 1.471 20 0 BDADLO CCc1onc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492769963 226049447 /nfs/dbraw/zinc/04/94/47/226049447.db2.gz QGOQWZHEDFPPIN-PLNGDYQASA-N 1 2 246.270 1.920 20 0 BDADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)n(C)n1 ZINC000492772144 226050585 /nfs/dbraw/zinc/05/05/85/226050585.db2.gz HWSGSVIAYNKDHC-ONEGZZNKSA-N 1 2 231.259 1.104 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492800889 226054563 /nfs/dbraw/zinc/05/45/63/226054563.db2.gz OBVBIDOMPXKBPS-DWNUIHGBSA-N 1 2 237.328 1.291 20 0 BDADLO CON(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000492810605 226058271 /nfs/dbraw/zinc/05/82/71/226058271.db2.gz IMGYVZNRURJTKT-SREVYHEPSA-N 1 2 235.287 1.756 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCCC1 ZINC000492824089 226060460 /nfs/dbraw/zinc/06/04/60/226060460.db2.gz PGRBNIXYKOTFKQ-WAYWQWQTSA-N 1 2 205.261 1.482 20 0 BDADLO Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492853963 226067030 /nfs/dbraw/zinc/06/70/30/226067030.db2.gz DABAUXLYJIIWLA-AATRIKPKSA-N 1 2 228.255 1.765 20 0 BDADLO Cc1cccnc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858686 226068351 /nfs/dbraw/zinc/06/83/51/226068351.db2.gz FUFVNBCOTWISGQ-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccco1 ZINC000492861756 226068785 /nfs/dbraw/zinc/06/87/85/226068785.db2.gz QEOMXCIYHJVPFX-ONEGZZNKSA-N 1 2 231.255 1.375 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H](O)C1 ZINC000492867400 226072805 /nfs/dbraw/zinc/07/28/05/226072805.db2.gz RJFLPTMDZPVPJJ-PRANIUCASA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOC[C@H]1C1CC1 ZINC000492897560 226078813 /nfs/dbraw/zinc/07/88/13/226078813.db2.gz KAWLSJYUALADCY-MVZIDQBPSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(O)cc1 ZINC000492992440 226100083 /nfs/dbraw/zinc/10/00/83/226100083.db2.gz XVXXHFOAVFNEAF-ZZXKWVIFSA-N 1 2 229.239 1.767 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCS1 ZINC000493041441 226109659 /nfs/dbraw/zinc/10/96/59/226109659.db2.gz YPJBZQOJBXILAN-HMDXOVGESA-N 1 2 237.328 1.435 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC1CCCCC1 ZINC000493121547 226131787 /nfs/dbraw/zinc/13/17/87/226131787.db2.gz SECQXEXWUBQTJT-VOTSOKGWSA-N 1 2 235.287 1.803 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1F ZINC000493131112 226136199 /nfs/dbraw/zinc/13/61/99/226136199.db2.gz XMYFODVLIGHAPE-HYNBTVFTSA-N 1 2 223.251 1.430 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000493219148 226157474 /nfs/dbraw/zinc/15/74/74/226157474.db2.gz HYWAZFRZIHMLJW-WAYWQWQTSA-N 1 2 205.261 1.434 20 0 BDADLO COC1(C)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493373019 226198467 /nfs/dbraw/zinc/19/84/67/226198467.db2.gz UGEYWYAPCCOJFR-ONEGZZNKSA-N 1 2 249.314 1.450 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H](F)C1 ZINC000493419616 226210672 /nfs/dbraw/zinc/21/06/72/226210672.db2.gz MPVVVOXRAPCHQT-TYRPZCRBSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCC[C@H]1O ZINC000493482396 226228669 /nfs/dbraw/zinc/22/86/69/226228669.db2.gz IYLHPXDMEMYLIR-PFDYWKIBSA-N 1 2 249.314 1.090 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccccc1 ZINC000493560204 226243333 /nfs/dbraw/zinc/24/33/33/226243333.db2.gz SGKKSSCMYSIAMV-FPLPWBNLSA-N 1 2 241.294 1.750 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC[C@H](F)C1 ZINC000493579436 226244311 /nfs/dbraw/zinc/24/43/11/226244311.db2.gz BKYRTIPBWACLIF-DXMIZCBPSA-N 1 2 223.251 1.430 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC1(F)CCC1 ZINC000493612702 226245997 /nfs/dbraw/zinc/24/59/97/226245997.db2.gz FKNRXGLDXRMWPK-NSCUHMNNSA-N 1 2 237.278 1.821 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc[nH]1 ZINC000493789740 226254222 /nfs/dbraw/zinc/25/42/22/226254222.db2.gz XLVPBSBLERPRMK-ONEGZZNKSA-N 1 2 216.244 1.067 20 0 BDADLO Cc1cc(CN(C)C(=O)/C=C/c2[nH]cc[nH+]2)no1 ZINC000493809958 226255088 /nfs/dbraw/zinc/25/50/88/226255088.db2.gz JMVMSSUSFMKQOQ-ONEGZZNKSA-N 1 2 246.270 1.378 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCOCC1CC1 ZINC000493815538 226255264 /nfs/dbraw/zinc/25/52/64/226255264.db2.gz FKAYNDJZKGMULY-SNAWJCMRSA-N 1 2 249.314 1.356 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(C2CC2)CC1 ZINC000493839054 226256472 /nfs/dbraw/zinc/25/64/72/226256472.db2.gz SURBIPNPNBBIJX-ONEGZZNKSA-N 1 2 231.299 1.729 20 0 BDADLO C[C@@H](O)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493845319 226256939 /nfs/dbraw/zinc/25/69/39/226256939.db2.gz CUXOBGMXLWSXCW-MXQLGCADSA-N 1 2 249.314 1.042 20 0 BDADLO COCCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493849655 226257210 /nfs/dbraw/zinc/25/72/10/226257210.db2.gz RVVIXCKAHNNWHG-SNAWJCMRSA-N 1 2 235.287 1.060 20 0 BDADLO COCC[N@H+](C)CN1CC2(CCCC2)OC1=O ZINC000494741321 226269161 /nfs/dbraw/zinc/26/91/61/226269161.db2.gz DWDWRTNWEHNPDT-UHFFFAOYSA-N 1 2 242.319 1.287 20 0 BDADLO COCC[N@@H+](C)CN1CC2(CCCC2)OC1=O ZINC000494741321 226269162 /nfs/dbraw/zinc/26/91/62/226269162.db2.gz DWDWRTNWEHNPDT-UHFFFAOYSA-N 1 2 242.319 1.287 20 0 BDADLO OCCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000494895875 226270980 /nfs/dbraw/zinc/27/09/80/226270980.db2.gz ULHPQWSMEUEMNC-NSHDSACASA-N 1 2 238.335 1.398 20 0 BDADLO COc1ccc(NCCCc2cnn(C)c2)[nH+]c1 ZINC000680836604 487656418 /nfs/dbraw/zinc/65/64/18/487656418.db2.gz ZMPGDZHOTZSPPO-UHFFFAOYSA-N 1 2 246.314 1.868 20 0 BDADLO Cc1nnc(C[NH+]2CCC(CCO)CC2)s1 ZINC000557291320 322936068 /nfs/dbraw/zinc/93/60/68/322936068.db2.gz IHMIAFBTCPUXJZ-UHFFFAOYSA-N 1 2 241.360 1.441 20 0 BDADLO Cc1nc(NCCc2ccoc2)nc(N)[nH+]1 ZINC000147030714 487658019 /nfs/dbraw/zinc/65/80/19/487658019.db2.gz MQGNBTAABHRQCI-UHFFFAOYSA-N 1 2 219.248 1.010 20 0 BDADLO Cc1nc(N)nc(NCCc2ccoc2)[nH+]1 ZINC000147030714 487658021 /nfs/dbraw/zinc/65/80/21/487658021.db2.gz MQGNBTAABHRQCI-UHFFFAOYSA-N 1 2 219.248 1.010 20 0 BDADLO CN(c1nc[nH+]c2c1OCCN2)C1CC(C)(C)C1 ZINC000665738379 487660846 /nfs/dbraw/zinc/66/08/46/487660846.db2.gz YILRFUIONNIGSG-UHFFFAOYSA-N 1 2 248.330 1.906 20 0 BDADLO CN(c1[nH+]cnc2c1OCCN2)C1CC(C)(C)C1 ZINC000665738379 487660848 /nfs/dbraw/zinc/66/08/48/487660848.db2.gz YILRFUIONNIGSG-UHFFFAOYSA-N 1 2 248.330 1.906 20 0 BDADLO Cc1cc(N2CCC[C@@H]3COC[C@@H]32)nc[nH+]1 ZINC000665739479 487668652 /nfs/dbraw/zinc/66/86/52/487668652.db2.gz SFYHXUWAHMJMGN-MNOVXSKESA-N 1 2 219.288 1.400 20 0 BDADLO CC[C@H](CSC)NC(=O)Cn1cc[nH+]c1 ZINC000557594184 322939878 /nfs/dbraw/zinc/93/98/78/322939878.db2.gz SLIZOGFNTZJMJJ-SECBINFHSA-N 1 2 227.333 1.141 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000557752892 322941747 /nfs/dbraw/zinc/94/17/47/322941747.db2.gz LWTUEUFZCXAAQO-PSASIEDQSA-N 1 2 228.299 1.675 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000152004698 487681274 /nfs/dbraw/zinc/68/12/74/487681274.db2.gz MESKIJIAYNWHDH-SNVBAGLBSA-N 1 2 241.312 1.122 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000152004698 487681280 /nfs/dbraw/zinc/68/12/80/487681280.db2.gz MESKIJIAYNWHDH-SNVBAGLBSA-N 1 2 241.312 1.122 20 0 BDADLO CCC[C@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000669693621 487683006 /nfs/dbraw/zinc/68/30/06/487683006.db2.gz BFFHKZXRJSBFJP-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000669693621 487683012 /nfs/dbraw/zinc/68/30/12/487683012.db2.gz BFFHKZXRJSBFJP-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(C)(CC)C(=O)NCc1[nH+]ccn1C ZINC000680997875 487690048 /nfs/dbraw/zinc/69/00/48/487690048.db2.gz VZGQZRHCXPFIOB-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC12CCC2 ZINC000675295284 487693863 /nfs/dbraw/zinc/69/38/63/487693863.db2.gz GWJQKIVOLFDZHV-SNVBAGLBSA-N 1 2 219.288 1.190 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)CC(=O)N1CCCC1 ZINC000681018612 487695924 /nfs/dbraw/zinc/69/59/24/487695924.db2.gz HKMYGJUFUIPGKX-LLVKDONJSA-N 1 2 248.330 1.092 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000681018612 487695928 /nfs/dbraw/zinc/69/59/28/487695928.db2.gz HKMYGJUFUIPGKX-LLVKDONJSA-N 1 2 248.330 1.092 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)no1 ZINC000399470216 262784201 /nfs/dbraw/zinc/78/42/01/262784201.db2.gz MIOOPGQALXGHPY-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H](O)CC[C@H]2C)no1 ZINC000399470216 262784202 /nfs/dbraw/zinc/78/42/02/262784202.db2.gz MIOOPGQALXGHPY-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000528472224 262951033 /nfs/dbraw/zinc/95/10/33/262951033.db2.gz BMEXUBFKWBOEBY-VUMVFKKDSA-N 1 2 235.780 1.829 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000528472224 262951034 /nfs/dbraw/zinc/95/10/34/262951034.db2.gz BMEXUBFKWBOEBY-VUMVFKKDSA-N 1 2 235.780 1.829 20 0 BDADLO FC(F)C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528735622 262969343 /nfs/dbraw/zinc/96/93/43/262969343.db2.gz ZOXYCOFBEFOUJR-UHFFFAOYSA-N 1 2 239.269 1.977 20 0 BDADLO FC(F)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528735622 262969345 /nfs/dbraw/zinc/96/93/45/262969345.db2.gz ZOXYCOFBEFOUJR-UHFFFAOYSA-N 1 2 239.269 1.977 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)CS1 ZINC000228648135 487700052 /nfs/dbraw/zinc/70/00/52/487700052.db2.gz TXQBYRLSMMDWKI-RNFRBKRXSA-N 1 2 211.277 1.098 20 0 BDADLO COCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671711286 487702237 /nfs/dbraw/zinc/70/22/37/487702237.db2.gz YRHQBZRFCDYITD-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671711286 487702239 /nfs/dbraw/zinc/70/22/39/487702239.db2.gz YRHQBZRFCDYITD-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO CC1(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC000683839287 487705048 /nfs/dbraw/zinc/70/50/48/487705048.db2.gz HJCQEIDOUFMZDO-QMMMGPOBSA-N 1 2 205.248 1.488 20 0 BDADLO CC1(C[N@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC000683839287 487705051 /nfs/dbraw/zinc/70/50/51/487705051.db2.gz HJCQEIDOUFMZDO-QMMMGPOBSA-N 1 2 205.248 1.488 20 0 BDADLO O=c1[nH]nc(C[NH+]2CCC3(CCC3)CC2)[nH]1 ZINC000671729711 487712012 /nfs/dbraw/zinc/71/20/12/487712012.db2.gz XPKRWSLXIPXFQM-UHFFFAOYSA-N 1 2 222.292 1.276 20 0 BDADLO CCCc1occc1C(=O)N1CC[NH+](C)CC1 ZINC000281549233 487712536 /nfs/dbraw/zinc/71/25/36/487712536.db2.gz ONTYPKNJAJVJCX-UHFFFAOYSA-N 1 2 236.315 1.620 20 0 BDADLO Cc1nc(N2CCCCCC2)nc(N)[nH+]1 ZINC000082664207 487715491 /nfs/dbraw/zinc/71/54/91/487715491.db2.gz TYFHXCGJKKDJPU-UHFFFAOYSA-N 1 2 207.281 1.143 20 0 BDADLO Cc1nc(N)nc(N2CCCCCC2)[nH+]1 ZINC000082664207 487715493 /nfs/dbraw/zinc/71/54/93/487715493.db2.gz TYFHXCGJKKDJPU-UHFFFAOYSA-N 1 2 207.281 1.143 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1CC=CC1 ZINC000675369166 487721157 /nfs/dbraw/zinc/72/11/57/487721157.db2.gz UQSBOOFJHOGRIQ-UHFFFAOYSA-N 1 2 205.261 1.108 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CC12CCC2 ZINC000675414317 487724229 /nfs/dbraw/zinc/72/42/29/487724229.db2.gz OXWNDDYEVSHVQK-MRVPVSSYSA-N 1 2 218.256 1.338 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nccn1C(F)F ZINC000676714064 487724343 /nfs/dbraw/zinc/72/43/43/487724343.db2.gz OBYVBXUKLZRPEO-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nccn1C(F)F ZINC000676714064 487724335 /nfs/dbraw/zinc/72/43/35/487724335.db2.gz OBYVBXUKLZRPEO-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1c(C2CC2)cnn1C ZINC000668422053 487725523 /nfs/dbraw/zinc/72/55/23/487725523.db2.gz OQJNJWXXBFOUPN-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1c(C2CC2)cnn1C ZINC000668422053 487725529 /nfs/dbraw/zinc/72/55/29/487725529.db2.gz OQJNJWXXBFOUPN-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)C[C@H]2CCOC2)c[nH+]1 ZINC000675416368 487725248 /nfs/dbraw/zinc/72/52/48/487725248.db2.gz RXKXGUDPNKDBJA-PSASIEDQSA-N 1 2 237.303 1.263 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H](C2CCC2)C1 ZINC000665683913 487727399 /nfs/dbraw/zinc/72/73/99/487727399.db2.gz IQRXFEWWALHUPG-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(O)cc1 ZINC000668422192 487727429 /nfs/dbraw/zinc/72/74/29/487727429.db2.gz SQFRLGGBMFRAPL-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(O)cc1 ZINC000668422192 487727432 /nfs/dbraw/zinc/72/74/32/487727432.db2.gz SQFRLGGBMFRAPL-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(O)cc1 ZINC000668422192 487727437 /nfs/dbraw/zinc/72/74/37/487727437.db2.gz SQFRLGGBMFRAPL-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(O)cc1 ZINC000668422192 487727441 /nfs/dbraw/zinc/72/74/41/487727441.db2.gz SQFRLGGBMFRAPL-UHFFFAOYSA-N 1 2 217.272 1.747 20 0 BDADLO Cc1occc1CNc1nc[nH+]c2c1OCCN2 ZINC000665694001 487733565 /nfs/dbraw/zinc/73/35/65/487733565.db2.gz BBQNBJNKXMENKW-UHFFFAOYSA-N 1 2 246.270 1.794 20 0 BDADLO Cc1occc1CNc1[nH+]cnc2c1OCCN2 ZINC000665694001 487733568 /nfs/dbraw/zinc/73/35/68/487733568.db2.gz BBQNBJNKXMENKW-UHFFFAOYSA-N 1 2 246.270 1.794 20 0 BDADLO C1=CC[C@H](Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000665701851 487734874 /nfs/dbraw/zinc/73/48/74/487734874.db2.gz JVBCHMQPZOAZNS-VIFPVBQESA-N 1 2 232.287 1.802 20 0 BDADLO C1=CC[C@H](Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000665701851 487734877 /nfs/dbraw/zinc/73/48/77/487734877.db2.gz JVBCHMQPZOAZNS-VIFPVBQESA-N 1 2 232.287 1.802 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000665714099 487737361 /nfs/dbraw/zinc/73/73/61/487737361.db2.gz SPOGRZTWDWLISH-SCZZXKLOSA-N 1 2 234.303 1.010 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000665714099 487737363 /nfs/dbraw/zinc/73/73/63/487737363.db2.gz SPOGRZTWDWLISH-SCZZXKLOSA-N 1 2 234.303 1.010 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665713979 487737746 /nfs/dbraw/zinc/73/77/46/487737746.db2.gz XDYGUWDEDUHIQL-YUMQZZPRSA-N 1 2 238.291 1.116 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665713979 487737750 /nfs/dbraw/zinc/73/77/50/487737750.db2.gz XDYGUWDEDUHIQL-YUMQZZPRSA-N 1 2 238.291 1.116 20 0 BDADLO CC[C@@H](CNc1nc[nH+]c2c1OCCN2)OC ZINC000665720272 487738761 /nfs/dbraw/zinc/73/87/61/487738761.db2.gz SBEHVUYUVJOGIT-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO CC[C@@H](CNc1[nH+]cnc2c1OCCN2)OC ZINC000665720272 487738766 /nfs/dbraw/zinc/73/87/66/487738766.db2.gz SBEHVUYUVJOGIT-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO c1nc(N2CCC[C@@H]3C[C@@H]32)c2c([nH+]1)NCCO2 ZINC000665719039 487739174 /nfs/dbraw/zinc/73/91/74/487739174.db2.gz ZQNOWEGUFQIYCP-BDAKNGLRSA-N 1 2 232.287 1.270 20 0 BDADLO c1nc2c(c(N3CCC[C@@H]4C[C@@H]43)[nH+]1)OCCN2 ZINC000665719039 487739181 /nfs/dbraw/zinc/73/91/81/487739181.db2.gz ZQNOWEGUFQIYCP-BDAKNGLRSA-N 1 2 232.287 1.270 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC000681215167 487749103 /nfs/dbraw/zinc/74/91/03/487749103.db2.gz GVYNFACMIIXMCZ-ZETCQYMHSA-N 1 2 230.262 1.454 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC000681215167 487749106 /nfs/dbraw/zinc/74/91/06/487749106.db2.gz GVYNFACMIIXMCZ-ZETCQYMHSA-N 1 2 230.262 1.454 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CCC[C@@H](OC)C2 ZINC000666192544 487753214 /nfs/dbraw/zinc/75/32/14/487753214.db2.gz FMABAWSJYUBHOY-MFKMUULPSA-N 1 2 240.347 1.502 20 0 BDADLO CO[C@H](COCc1[nH]cc[nH+]1)CC(C)C ZINC000668919226 487759877 /nfs/dbraw/zinc/75/98/77/487759877.db2.gz WDHVNJYUOMRZQD-JTQLQIEISA-N 1 2 212.293 1.987 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCCN1 ZINC000673475821 487762377 /nfs/dbraw/zinc/76/23/77/487762377.db2.gz XQNHFFYGEGOKNU-UHFFFAOYSA-N 1 2 230.271 1.075 20 0 BDADLO Cn1cccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195017142 487763034 /nfs/dbraw/zinc/76/30/34/487763034.db2.gz IBVZKIOTBIYULU-CYBMUJFWSA-N 1 2 236.315 1.016 20 0 BDADLO Cn1cccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195017142 487763040 /nfs/dbraw/zinc/76/30/40/487763040.db2.gz IBVZKIOTBIYULU-CYBMUJFWSA-N 1 2 236.315 1.016 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)o1 ZINC000195020433 487763096 /nfs/dbraw/zinc/76/30/96/487763096.db2.gz XOSXXIYDOIWPIC-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)o1 ZINC000195020433 487763100 /nfs/dbraw/zinc/76/31/00/487763100.db2.gz XOSXXIYDOIWPIC-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668923621 487766127 /nfs/dbraw/zinc/76/61/27/487766127.db2.gz CSNLVBUJYIXHFC-MNOVXSKESA-N 1 2 245.326 1.740 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668923621 487766130 /nfs/dbraw/zinc/76/61/30/487766130.db2.gz CSNLVBUJYIXHFC-MNOVXSKESA-N 1 2 245.326 1.740 20 0 BDADLO O=C(NCC1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666237325 487766025 /nfs/dbraw/zinc/76/60/25/487766025.db2.gz CLLZUALXBIFPQQ-NSHDSACASA-N 1 2 247.342 1.821 20 0 BDADLO O=C(NCC1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666237325 487766028 /nfs/dbraw/zinc/76/60/28/487766028.db2.gz CLLZUALXBIFPQQ-NSHDSACASA-N 1 2 247.342 1.821 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CCCC1 ZINC000666238845 487766407 /nfs/dbraw/zinc/76/64/07/487766407.db2.gz GYPBETYGUWJCBP-VXGBXAGGSA-N 1 2 247.342 1.830 20 0 BDADLO CCCS(=O)(=O)CC[N@H+]1CC=C(C)CC1 ZINC000756636803 585321883 /nfs/dbraw/zinc/32/18/83/585321883.db2.gz SOJOCFZTGHTKJE-UHFFFAOYSA-N 1 2 231.361 1.463 20 0 BDADLO CCCS(=O)(=O)CC[N@@H+]1CC=C(C)CC1 ZINC000756636803 585321884 /nfs/dbraw/zinc/32/18/84/585321884.db2.gz SOJOCFZTGHTKJE-UHFFFAOYSA-N 1 2 231.361 1.463 20 0 BDADLO CC(=O)c1cnc(NC(=O)[C@H](C)[NH+](C)C)s1 ZINC000674288626 487779922 /nfs/dbraw/zinc/77/99/22/487779922.db2.gz KVDSMFIAYXTVSZ-LURJTMIESA-N 1 2 241.316 1.234 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCC(C)(F)F ZINC000681343199 487781097 /nfs/dbraw/zinc/78/10/97/487781097.db2.gz LKODAPPISUSFRF-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO C[C@@H]1SCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000383752026 487782244 /nfs/dbraw/zinc/78/22/44/487782244.db2.gz FAUJEMADXWJVSA-IONNQARKSA-N 1 2 249.343 1.669 20 0 BDADLO C[C@@H](C(=O)Nc1cc[nH+]cc1N(C)C)C1CC1 ZINC000681358095 487783791 /nfs/dbraw/zinc/78/37/91/487783791.db2.gz PFZHANLRPDENJD-SECBINFHSA-N 1 2 233.315 1.554 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000681363602 487784973 /nfs/dbraw/zinc/78/49/73/487784973.db2.gz SFMBONGINZQVGO-WDEREUQCSA-N 1 2 247.342 1.944 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C2CC2)nc(N(C)C)[nH+]1 ZINC000676079437 487809835 /nfs/dbraw/zinc/80/98/35/487809835.db2.gz RNNNVEYRIMEKLF-LLVKDONJSA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H]2C2CC2)[nH+]1 ZINC000676079437 487809840 /nfs/dbraw/zinc/80/98/40/487809840.db2.gz RNNNVEYRIMEKLF-LLVKDONJSA-N 1 2 247.346 1.625 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC1(C)C ZINC000666449665 487811207 /nfs/dbraw/zinc/81/12/07/487811207.db2.gz HFDLLAIKHKZKJY-QWRGUYRKSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1cn(C)nc1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000666490422 487820825 /nfs/dbraw/zinc/82/08/25/487820825.db2.gz QJGXZVBAIBKEFJ-UHFFFAOYSA-N 1 2 245.286 1.498 20 0 BDADLO Cc1cc(NC(=O)N2CCC3(COC3)C2)cc[nH+]1 ZINC000666490135 487820956 /nfs/dbraw/zinc/82/09/56/487820956.db2.gz MWCXRXWPEXOJAY-UHFFFAOYSA-N 1 2 247.298 1.066 20 0 BDADLO OCCSCCSCCCn1cc[nH+]c1 ZINC000783606075 585838316 /nfs/dbraw/zinc/83/83/16/585838316.db2.gz XQVYTNANFNJMIW-UHFFFAOYSA-N 1 2 246.401 1.732 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000681630273 487826365 /nfs/dbraw/zinc/82/63/65/487826365.db2.gz POBOPKONJTXAMA-AWEZNQCLSA-N 1 2 249.358 1.593 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000681630273 487826369 /nfs/dbraw/zinc/82/63/69/487826369.db2.gz POBOPKONJTXAMA-AWEZNQCLSA-N 1 2 249.358 1.593 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000676241300 487827714 /nfs/dbraw/zinc/82/77/14/487827714.db2.gz QXGDNTZCFRRPAK-NWDGAFQWSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000676241300 487827722 /nfs/dbraw/zinc/82/77/22/487827722.db2.gz QXGDNTZCFRRPAK-NWDGAFQWSA-N 1 2 234.274 1.461 20 0 BDADLO COC(=O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371550591 487839763 /nfs/dbraw/zinc/83/97/63/487839763.db2.gz CWTNJJGVPSHISU-TZMCWYRMSA-N 1 2 249.310 1.527 20 0 BDADLO COC(=O)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000371550588 487839804 /nfs/dbraw/zinc/83/98/04/487839804.db2.gz CWTNJJGVPSHISU-GXTWGEPZSA-N 1 2 249.310 1.527 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1onc2c1CCCC2 ZINC000668993913 487840856 /nfs/dbraw/zinc/84/08/56/487840856.db2.gz GDEWUJAVTAXUHZ-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1onc2c1CCCC2 ZINC000668993913 487840865 /nfs/dbraw/zinc/84/08/65/487840865.db2.gz GDEWUJAVTAXUHZ-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)[C@]1(CO)CCOC1 ZINC000851917435 588643315 /nfs/dbraw/zinc/64/33/15/588643315.db2.gz DFELLUIYCIDPDP-VIFPVBQESA-N 1 2 240.130 1.389 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)[C@]1(CO)CCOC1 ZINC000851917435 588643316 /nfs/dbraw/zinc/64/33/16/588643316.db2.gz DFELLUIYCIDPDP-VIFPVBQESA-N 1 2 240.130 1.389 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668995021 487842877 /nfs/dbraw/zinc/84/28/77/487842877.db2.gz DZXQYQPDPURIBZ-BRPSZJMVSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668995021 487842883 /nfs/dbraw/zinc/84/28/83/487842883.db2.gz DZXQYQPDPURIBZ-BRPSZJMVSA-N 1 2 205.261 1.072 20 0 BDADLO CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000668996311 487844788 /nfs/dbraw/zinc/84/47/88/487844788.db2.gz YGNPNDUCMZQPDP-NXEZZACHSA-N 1 2 237.303 1.230 20 0 BDADLO CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000668996311 487844789 /nfs/dbraw/zinc/84/47/89/487844789.db2.gz YGNPNDUCMZQPDP-NXEZZACHSA-N 1 2 237.303 1.230 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880299930 590994935 /nfs/dbraw/zinc/99/49/35/590994935.db2.gz MHUIFCDJUPOVTK-YUMQZZPRSA-N 1 2 215.297 1.891 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@@H](CF)C1 ZINC000880299930 590994938 /nfs/dbraw/zinc/99/49/38/590994938.db2.gz MHUIFCDJUPOVTK-YUMQZZPRSA-N 1 2 215.297 1.891 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H]3CCC[C@H]32)no1 ZINC000681712285 487848063 /nfs/dbraw/zinc/84/80/63/487848063.db2.gz SVJOVAZHLLFZGM-NXEZZACHSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H]3CCC[C@H]32)no1 ZINC000681712285 487848065 /nfs/dbraw/zinc/84/80/65/487848065.db2.gz SVJOVAZHLLFZGM-NXEZZACHSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)no1 ZINC000681712287 487848556 /nfs/dbraw/zinc/84/85/56/487848556.db2.gz SVJOVAZHLLFZGM-VHSXEESVSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H]3CCC[C@H]32)no1 ZINC000681712287 487848560 /nfs/dbraw/zinc/84/85/60/487848560.db2.gz SVJOVAZHLLFZGM-VHSXEESVSA-N 1 2 237.303 1.590 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[NH+]1CCOCC1 ZINC000676412980 487848460 /nfs/dbraw/zinc/84/84/60/487848460.db2.gz KAUGZCNRPYMRBZ-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO CCc1cc(N[C@H]2CCCC[C@H]2C(N)=O)nc[nH+]1 ZINC000676412866 487849117 /nfs/dbraw/zinc/84/91/17/487849117.db2.gz CRMUTUDMHARONV-MNOVXSKESA-N 1 2 248.330 1.495 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC12CCC2 ZINC000681746295 487850958 /nfs/dbraw/zinc/85/09/58/487850958.db2.gz OVTHEGUCLIPWGW-WDEREUQCSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC12CCC2 ZINC000681746294 487851174 /nfs/dbraw/zinc/85/11/74/487851174.db2.gz OVTHEGUCLIPWGW-QWRGUYRKSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1noc(C[NH+]2CCC3(CCO3)CC2)n1 ZINC000558627274 322952699 /nfs/dbraw/zinc/95/26/99/322952699.db2.gz NLHDBQYMOMYCSS-UHFFFAOYSA-N 1 2 223.276 1.133 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@H]2CCSC2)CC1(F)F ZINC000668497904 487855254 /nfs/dbraw/zinc/85/52/54/487855254.db2.gz LFGAHSDPEWPKKR-RKDXNWHRSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@H]2CCSC2)CC1(F)F ZINC000668497904 487855260 /nfs/dbraw/zinc/85/52/60/487855260.db2.gz LFGAHSDPEWPKKR-RKDXNWHRSA-N 1 2 237.315 1.441 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOCC2CCC2)o1 ZINC000558647931 322953028 /nfs/dbraw/zinc/95/30/28/322953028.db2.gz ZXVGCNGGVLYYAW-SECBINFHSA-N 1 2 239.319 1.845 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC12CCC2 ZINC000558647662 322953030 /nfs/dbraw/zinc/95/30/30/322953030.db2.gz YOMUUCKMENNYMT-UHFFFAOYSA-N 1 2 234.303 1.258 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2C2CCC2)cc[nH+]1 ZINC000645363280 487856454 /nfs/dbraw/zinc/85/64/54/487856454.db2.gz JKNDZOYWMXQROR-GFCCVEGCSA-N 1 2 233.315 1.790 20 0 BDADLO CCN1C[C@@H](C(=O)Nc2cc[nH+]c(C)c2)CC1=O ZINC000078559587 487858778 /nfs/dbraw/zinc/85/87/78/487858778.db2.gz BCLWBDPYXNDDRS-JTQLQIEISA-N 1 2 247.298 1.197 20 0 BDADLO COCc1nnc(C[NH2+]CCC(C)(C)C)[nH]1 ZINC000668506834 487862377 /nfs/dbraw/zinc/86/23/77/487862377.db2.gz DNYOVWYVTVPQIV-UHFFFAOYSA-N 1 2 226.324 1.477 20 0 BDADLO Cc1cc([NH2+]CCC(N)=O)c(C)cc1O ZINC000566127732 322958992 /nfs/dbraw/zinc/95/89/92/322958992.db2.gz AILFMTRPSQNRTO-UHFFFAOYSA-N 1 2 208.261 1.296 20 0 BDADLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000684408820 487871207 /nfs/dbraw/zinc/87/12/07/487871207.db2.gz RVIJKYKHSYYDKW-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000684408820 487871213 /nfs/dbraw/zinc/87/12/13/487871213.db2.gz RVIJKYKHSYYDKW-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO Fc1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000676563606 487873737 /nfs/dbraw/zinc/87/37/37/487873737.db2.gz YCNZNJFWXFPQJU-LLVKDONJSA-N 1 2 247.277 1.654 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOC[C@@H]1C ZINC000668203196 487874610 /nfs/dbraw/zinc/87/46/10/487874610.db2.gz AAYXPXNSDQDOTO-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOC[C@@H]1C ZINC000668203196 487874617 /nfs/dbraw/zinc/87/46/17/487874617.db2.gz AAYXPXNSDQDOTO-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO C[C@@H](C[N@H+]1CC(=O)N(C2CC2)C1)C(C)(C)C ZINC000670270522 487886125 /nfs/dbraw/zinc/88/61/25/487886125.db2.gz PEHYXDAWJXXNJQ-JTQLQIEISA-N 1 2 224.348 1.933 20 0 BDADLO C[C@@H](C[N@@H+]1CC(=O)N(C2CC2)C1)C(C)(C)C ZINC000670270522 487886128 /nfs/dbraw/zinc/88/61/28/487886128.db2.gz PEHYXDAWJXXNJQ-JTQLQIEISA-N 1 2 224.348 1.933 20 0 BDADLO Cc1cc(C[N@H+]2CCCOC[C@H]2C)no1 ZINC000676711389 487898535 /nfs/dbraw/zinc/89/85/35/487898535.db2.gz HJYDPBXUXDNRCA-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCCOC[C@H]2C)no1 ZINC000676711389 487898541 /nfs/dbraw/zinc/89/85/41/487898541.db2.gz HJYDPBXUXDNRCA-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nccn1C ZINC000676713625 487901829 /nfs/dbraw/zinc/90/18/29/487901829.db2.gz RADSZUGUEYXSJZ-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nccn1C ZINC000676713625 487901831 /nfs/dbraw/zinc/90/18/31/487901831.db2.gz RADSZUGUEYXSJZ-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000676718834 487905032 /nfs/dbraw/zinc/90/50/32/487905032.db2.gz DSVZEBVWODNKMC-UWVGGRQHSA-N 1 2 219.275 2.000 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000676718834 487905035 /nfs/dbraw/zinc/90/50/35/487905035.db2.gz DSVZEBVWODNKMC-UWVGGRQHSA-N 1 2 219.275 2.000 20 0 BDADLO COC(=O)C[N@H+](Cc1occc1C)C(C)C ZINC000093287300 487910318 /nfs/dbraw/zinc/91/03/18/487910318.db2.gz SPCOHHYCSVIXNG-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C[N@@H+](Cc1occc1C)C(C)C ZINC000093287300 487910322 /nfs/dbraw/zinc/91/03/22/487910322.db2.gz SPCOHHYCSVIXNG-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CCCC2 ZINC000661070301 487914924 /nfs/dbraw/zinc/91/49/24/487914924.db2.gz TZANQWSOSOYYEC-LLVKDONJSA-N 1 2 248.330 1.884 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CCCC2 ZINC000661070301 487914931 /nfs/dbraw/zinc/91/49/31/487914931.db2.gz TZANQWSOSOYYEC-LLVKDONJSA-N 1 2 248.330 1.884 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000668554974 487925704 /nfs/dbraw/zinc/92/57/04/487925704.db2.gz RPRVSRGPKJLSBB-GDGBQDQQSA-N 1 2 223.320 1.167 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000668554974 487925709 /nfs/dbraw/zinc/92/57/09/487925709.db2.gz RPRVSRGPKJLSBB-GDGBQDQQSA-N 1 2 223.320 1.167 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000676830796 487935632 /nfs/dbraw/zinc/93/56/32/487935632.db2.gz SDWBXFVSOPYYPO-SNVBAGLBSA-N 1 2 237.303 1.147 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000676842020 487936477 /nfs/dbraw/zinc/93/64/77/487936477.db2.gz UVFSPZWTBDFXKA-CMPLNLGQSA-N 1 2 247.342 1.608 20 0 BDADLO CC[C@H](NC(=O)c1coc(C)n1)c1[nH]cc[nH+]1 ZINC000682363188 487939013 /nfs/dbraw/zinc/93/90/13/487939013.db2.gz LNMVCZPOSLONER-QMMMGPOBSA-N 1 2 234.259 1.587 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000220517167 487943570 /nfs/dbraw/zinc/94/35/70/487943570.db2.gz VNSPAIBXTXIXDI-MNOVXSKESA-N 1 2 247.342 1.773 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000220517167 487943574 /nfs/dbraw/zinc/94/35/74/487943574.db2.gz VNSPAIBXTXIXDI-MNOVXSKESA-N 1 2 247.342 1.773 20 0 BDADLO CC1(C(=O)NCCCCn2cc[nH+]c2)CCC1 ZINC000530693870 322890791 /nfs/dbraw/zinc/89/07/91/322890791.db2.gz IFYOYBIJOXHJAR-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC1(C)C ZINC000530859974 322896020 /nfs/dbraw/zinc/89/60/20/322896020.db2.gz FCKXBHNQFFFBKV-JTQLQIEISA-N 1 2 236.319 1.466 20 0 BDADLO CN(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255112698 322913709 /nfs/dbraw/zinc/91/37/09/322913709.db2.gz DXIRWPHFEUCYTP-YVMONPNESA-N 1 2 241.294 1.974 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000520956450 323000185 /nfs/dbraw/zinc/00/01/85/323000185.db2.gz BIZKZLKGWRKKPJ-WDEREUQCSA-N 1 2 235.331 1.920 20 0 BDADLO COc1ccc[nH+]c1NCc1cn(C(C)C)nn1 ZINC000561380950 323000843 /nfs/dbraw/zinc/00/08/43/323000843.db2.gz BUVYBLZLDMWMNZ-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000561545779 323003837 /nfs/dbraw/zinc/00/38/37/323003837.db2.gz FZKAPYWGIDVUGK-OPRDCNLKSA-N 1 2 249.314 1.123 20 0 BDADLO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000561545779 323003838 /nfs/dbraw/zinc/00/38/38/323003838.db2.gz FZKAPYWGIDVUGK-OPRDCNLKSA-N 1 2 249.314 1.123 20 0 BDADLO C[C@H](CC(=O)NCCC(C)(F)F)n1cc[nH+]c1 ZINC000565050043 323006774 /nfs/dbraw/zinc/00/67/74/323006774.db2.gz XIQRHWYAFPTSRS-SECBINFHSA-N 1 2 245.273 1.996 20 0 BDADLO C[C@@H]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000562265205 323014289 /nfs/dbraw/zinc/01/42/89/323014289.db2.gz KICQZRDXJOFBBD-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CCCN(CC(C)C)C(=O)Cc1c[nH+]cn1C ZINC000562267611 323014331 /nfs/dbraw/zinc/01/43/31/323014331.db2.gz UGEMCZGDPOKBGE-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000562276311 323014471 /nfs/dbraw/zinc/01/44/71/323014471.db2.gz IUBDNDBZBWDKGN-SNVBAGLBSA-N 1 2 207.277 1.142 20 0 BDADLO O[C@H](CNc1cc[nH+]c2ccncc12)C1CCC1 ZINC000562705104 323028460 /nfs/dbraw/zinc/02/84/60/323028460.db2.gz DLPNKVWIMOILSX-CQSZACIVSA-N 1 2 243.310 1.625 20 0 BDADLO CC(C)C1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000562867701 323032544 /nfs/dbraw/zinc/03/25/44/323032544.db2.gz PZVMUCCZQPMEEN-UHFFFAOYSA-N 1 2 238.375 1.881 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](CCCO)C1 ZINC000569745671 323039716 /nfs/dbraw/zinc/03/97/16/323039716.db2.gz ZHGIBYMVFUPUII-GFCCVEGCSA-N 1 2 235.331 1.692 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC000570050087 323048839 /nfs/dbraw/zinc/04/88/39/323048839.db2.gz LMXZREJFOGCDOG-SNVBAGLBSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)ccn1 ZINC000570230634 323053558 /nfs/dbraw/zinc/05/35/58/323053558.db2.gz IWGUPRIFSWDLES-NSHDSACASA-N 1 2 244.298 1.598 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000570354779 323057240 /nfs/dbraw/zinc/05/72/40/323057240.db2.gz YRYFJNBUYFSMTC-PHIMTYICSA-N 1 2 233.315 1.077 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](CO)C(C)C ZINC000570410031 323058745 /nfs/dbraw/zinc/05/87/45/323058745.db2.gz NLNYKUFZTOGADR-NSHDSACASA-N 1 2 223.320 1.192 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000570423928 323059384 /nfs/dbraw/zinc/05/93/84/323059384.db2.gz KNBBUDNZQRYBBH-GMTAPVOTSA-N 1 2 221.304 1.386 20 0 BDADLO CC(C)c1nc(NC[C@H](CO)C2CC2)cc[nH+]1 ZINC000570493897 323060995 /nfs/dbraw/zinc/06/09/95/323060995.db2.gz AQEQNODMHWDVEN-LLVKDONJSA-N 1 2 235.331 1.452 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2C=CCCC2)c1 ZINC000563039632 323081221 /nfs/dbraw/zinc/08/12/21/323081221.db2.gz CIANAOFLQMHFOT-NSHDSACASA-N 1 2 248.330 1.371 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cc[nH]n2)[nH+]1 ZINC000531194993 323085133 /nfs/dbraw/zinc/08/51/33/323085133.db2.gz MAFWPMGQZOXZEU-UHFFFAOYSA-N 1 2 228.259 1.023 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@H](OC)C2)o1 ZINC000531449365 323090018 /nfs/dbraw/zinc/09/00/18/323090018.db2.gz ZLYBRZJMRXTWJQ-JTQLQIEISA-N 1 2 210.277 1.458 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@H](OC)C2)o1 ZINC000531449365 323090019 /nfs/dbraw/zinc/09/00/19/323090019.db2.gz ZLYBRZJMRXTWJQ-JTQLQIEISA-N 1 2 210.277 1.458 20 0 BDADLO CC/C=C\CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000563089611 323091487 /nfs/dbraw/zinc/09/14/87/323091487.db2.gz JTDLQIFBRIVQBH-ARJAWSKDSA-N 1 2 234.303 1.375 20 0 BDADLO c1cc(C[N@H+](C2CC2)C2COC2)nc2c1CCC2 ZINC000563117818 323093684 /nfs/dbraw/zinc/09/36/84/323093684.db2.gz HWJOUFFBOVIQIH-UHFFFAOYSA-N 1 2 244.338 1.934 20 0 BDADLO c1cc(C[N@@H+](C2CC2)C2COC2)nc2c1CCC2 ZINC000563117818 323093685 /nfs/dbraw/zinc/09/36/85/323093685.db2.gz HWJOUFFBOVIQIH-UHFFFAOYSA-N 1 2 244.338 1.934 20 0 BDADLO CCC1(O)CN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000563123233 323094086 /nfs/dbraw/zinc/09/40/86/323094086.db2.gz ORFHTIPGHUIVDY-UHFFFAOYSA-N 1 2 249.314 1.109 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CCC1=O ZINC000534268289 323115164 /nfs/dbraw/zinc/11/51/64/323115164.db2.gz LBQAQMWFAVQQDD-MNOVXSKESA-N 1 2 249.314 1.005 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@@H](CF)C1 ZINC000563422680 323124198 /nfs/dbraw/zinc/12/41/98/323124198.db2.gz AESJAAUGRQBLSL-JTQLQIEISA-N 1 2 225.267 1.268 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)C[C@H](CO)C1 ZINC000563423199 323124270 /nfs/dbraw/zinc/12/42/70/323124270.db2.gz DVPJUTHDWAFSBF-CABZTGNLSA-N 1 2 235.331 1.548 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CC12CC2 ZINC000563519057 323128961 /nfs/dbraw/zinc/12/89/61/323128961.db2.gz OSLUHYXWGHKECD-MRVPVSSYSA-N 1 2 229.287 1.575 20 0 BDADLO COCCOCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000571240961 323139198 /nfs/dbraw/zinc/13/91/98/323139198.db2.gz SKVKIBBJFNREJJ-SECBINFHSA-N 1 2 243.307 1.034 20 0 BDADLO COCCOCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000571240961 323139199 /nfs/dbraw/zinc/13/91/99/323139199.db2.gz SKVKIBBJFNREJJ-SECBINFHSA-N 1 2 243.307 1.034 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCCOC1 ZINC000571343897 323142049 /nfs/dbraw/zinc/14/20/49/323142049.db2.gz LOOIHTUEHCZAEH-JTQLQIEISA-N 1 2 207.277 1.684 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CC(C(C)(C)C)C1 ZINC000571354429 323142618 /nfs/dbraw/zinc/14/26/18/323142618.db2.gz BUJQWNSWJLCUDS-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CC12CCCC2 ZINC000571617742 323149512 /nfs/dbraw/zinc/14/95/12/323149512.db2.gz JICGQJVUVBPZJR-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1cccnc1 ZINC000048388492 323153291 /nfs/dbraw/zinc/15/32/91/323153291.db2.gz OIAVPQSGHCZHMA-UHFFFAOYSA-N 1 2 231.259 1.100 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC12CCCCC2 ZINC000531912885 323154116 /nfs/dbraw/zinc/15/41/16/323154116.db2.gz PYCFFQKEVDZGLF-SNVBAGLBSA-N 1 2 233.315 1.996 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)nn1 ZINC000534868002 323161488 /nfs/dbraw/zinc/16/14/88/323161488.db2.gz DKTIHKICRVQSBB-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)nn1 ZINC000534868002 323161489 /nfs/dbraw/zinc/16/14/89/323161489.db2.gz DKTIHKICRVQSBB-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1nc(C[N@H+](C)CCO)nc2ccccc12 ZINC000303989903 323162774 /nfs/dbraw/zinc/16/27/74/323162774.db2.gz KWGZBKUNNRZQHS-UHFFFAOYSA-N 1 2 231.299 1.362 20 0 BDADLO Cc1nc(C[N@@H+](C)CCO)nc2ccccc12 ZINC000303989903 323162775 /nfs/dbraw/zinc/16/27/75/323162775.db2.gz KWGZBKUNNRZQHS-UHFFFAOYSA-N 1 2 231.299 1.362 20 0 BDADLO Cc1ccoc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000535071135 323165309 /nfs/dbraw/zinc/16/53/09/323165309.db2.gz BKIWTEVGOSQGRR-UHFFFAOYSA-N 1 2 248.326 1.642 20 0 BDADLO CC(=O)NCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000563806720 323178188 /nfs/dbraw/zinc/17/81/88/323178188.db2.gz CDLZBDPHOBYDFR-UHFFFAOYSA-N 1 2 232.287 1.135 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CO[C@H](C)C2)c(C)c[nH+]1 ZINC000525878528 323182929 /nfs/dbraw/zinc/18/29/29/323182929.db2.gz XFMMVLHRNIJCCW-GHMZBOCLSA-N 1 2 234.299 1.484 20 0 BDADLO Cc1cc(NC(=O)Cc2ccon2)c(C)c[nH+]1 ZINC000535748675 323190413 /nfs/dbraw/zinc/19/04/13/323190413.db2.gz WVORJQGUUQJNHF-UHFFFAOYSA-N 1 2 231.255 1.290 20 0 BDADLO CCOC1(C)C[NH+](C[C@](C)(O)C(F)(F)F)C1 ZINC000398869835 323194131 /nfs/dbraw/zinc/19/41/31/323194131.db2.gz DSROJMCQEKCVLL-VIFPVBQESA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2nncs2)c2[nH+]ccn21 ZINC000530189258 323206578 /nfs/dbraw/zinc/20/65/78/323206578.db2.gz PANIJWHSOYGLCF-BQBZGAKWSA-N 1 2 249.299 1.170 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000532473318 323267282 /nfs/dbraw/zinc/26/72/82/323267282.db2.gz RHGRXXMXHYCVSC-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO Cc1cccn2cc(CC(=O)NCCCF)[nH+]c12 ZINC000532864075 323303575 /nfs/dbraw/zinc/30/35/75/323303575.db2.gz VXMNCIQUYNVOQZ-UHFFFAOYSA-N 1 2 249.289 1.661 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cccn2C)s1 ZINC000309164464 323321858 /nfs/dbraw/zinc/32/18/58/323321858.db2.gz IJIRIWPQXDJGCJ-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548327996 323650597 /nfs/dbraw/zinc/65/05/97/323650597.db2.gz ABMIMKDLESUOQW-AAEUAGOBSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1cocc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000527976534 323739561 /nfs/dbraw/zinc/73/95/61/323739561.db2.gz BWHPZUMAKRIPCS-JTQLQIEISA-N 1 2 233.271 1.603 20 0 BDADLO COc1ccc[nH+]c1N(C)[C@@H]1CCCOC1 ZINC000528017047 323750757 /nfs/dbraw/zinc/75/07/57/323750757.db2.gz XQKNLUPKJOEGAY-SNVBAGLBSA-N 1 2 222.288 1.705 20 0 BDADLO CCOC[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000528187213 323775038 /nfs/dbraw/zinc/77/50/38/323775038.db2.gz MYFVLHXSSQVLPT-NSHDSACASA-N 1 2 222.288 1.323 20 0 BDADLO C[C@H]1CC[C@H](c2noc(C[NH+](C)C)n2)O1 ZINC000528239566 323792201 /nfs/dbraw/zinc/79/22/01/323792201.db2.gz PHSBZDLNFGSREQ-JGVFFNPUSA-N 1 2 211.265 1.371 20 0 BDADLO CC1(C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533089875 323830658 /nfs/dbraw/zinc/83/06/58/323830658.db2.gz KWBWCUURFMEXBY-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653539918 487961256 /nfs/dbraw/zinc/96/12/56/487961256.db2.gz QIBKIURFYJDBIQ-JTQLQIEISA-N 1 2 237.351 1.803 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653539918 487961262 /nfs/dbraw/zinc/96/12/62/487961262.db2.gz QIBKIURFYJDBIQ-JTQLQIEISA-N 1 2 237.351 1.803 20 0 BDADLO O=C(C[NH+]1CCCCC1)NCC(F)(F)F ZINC000057826766 323936557 /nfs/dbraw/zinc/93/65/57/323936557.db2.gz AYBHCQFRBXQHHL-UHFFFAOYSA-N 1 2 224.226 1.151 20 0 BDADLO CCN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000122063771 324026124 /nfs/dbraw/zinc/02/61/24/324026124.db2.gz SMNNXAWBSGJYBH-UHFFFAOYSA-N 1 2 224.308 1.325 20 0 BDADLO CCN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000060961614 324053552 /nfs/dbraw/zinc/05/35/52/324053552.db2.gz FZVZPAVWRPCURG-UHFFFAOYSA-N 1 2 225.361 1.589 20 0 BDADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)c(C)o1 ZINC000541552226 324065482 /nfs/dbraw/zinc/06/54/82/324065482.db2.gz PXTPLAJROUGHQX-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)C(F)(F)F)[NH+]1CC(C)C1 ZINC000572496424 324133338 /nfs/dbraw/zinc/13/33/38/324133338.db2.gz LWKGECACWBRYNB-SFYZADRCSA-N 1 2 238.253 1.394 20 0 BDADLO CCC1(CNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000572511273 324137531 /nfs/dbraw/zinc/13/75/31/324137531.db2.gz IJDRIVOKYJMKIE-SECBINFHSA-N 1 2 239.344 1.449 20 0 BDADLO C[C@H](NC(=O)N1CC[C@@H]1C)c1[nH+]ccn1C ZINC000667256900 487962700 /nfs/dbraw/zinc/96/27/00/487962700.db2.gz WTDADTNKXUKQOX-IUCAKERBSA-N 1 2 222.292 1.285 20 0 BDADLO C[C@@H]1[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)[C@H]1C1CC1 ZINC000529400237 324287500 /nfs/dbraw/zinc/28/75/00/324287500.db2.gz BITDMNJBGREFFP-CKLFPEKLSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)[C@H]1C1CC1 ZINC000529400237 324287504 /nfs/dbraw/zinc/28/75/04/324287504.db2.gz BITDMNJBGREFFP-CKLFPEKLSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCc2cn(C)c[nH+]2)[C@H]1C1CC1 ZINC000529477280 324310218 /nfs/dbraw/zinc/31/02/18/324310218.db2.gz KMNNXLRVBUNJPX-ZWKOPEQDSA-N 1 2 247.342 1.371 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529525482 324324450 /nfs/dbraw/zinc/32/44/50/324324450.db2.gz JUZFYLXDILJWDZ-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529525482 324324456 /nfs/dbraw/zinc/32/44/56/324324456.db2.gz JUZFYLXDILJWDZ-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(F)cn2)no1 ZINC000529534252 324328228 /nfs/dbraw/zinc/32/82/28/324328228.db2.gz UFLADLBCUCSOJG-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCOC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000529666121 324373368 /nfs/dbraw/zinc/37/33/68/324373368.db2.gz JVDBTIGOOPGETM-JTQLQIEISA-N 1 2 217.284 1.226 20 0 BDADLO CCOC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000529666121 324373369 /nfs/dbraw/zinc/37/33/69/324373369.db2.gz JVDBTIGOOPGETM-JTQLQIEISA-N 1 2 217.284 1.226 20 0 BDADLO C[C@H](NC(=O)N1C2CCC1CC2)c1[nH+]ccn1C ZINC000667256275 487962967 /nfs/dbraw/zinc/96/29/67/487962967.db2.gz IGUJQAXJXQIGJO-WHXUTIOJSA-N 1 2 248.330 1.818 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCOC[C@H]1C ZINC000564225645 324877390 /nfs/dbraw/zinc/87/73/90/324877390.db2.gz KJQGRZLLHXMXJL-MWLCHTKSSA-N 1 2 221.304 1.930 20 0 BDADLO Cc1ccccc1C(=O)NCCc1c[nH+]cn1C ZINC000541551565 324963910 /nfs/dbraw/zinc/96/39/10/324963910.db2.gz DFQUEIKULLTILL-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)nc1 ZINC000130111568 325015152 /nfs/dbraw/zinc/01/51/52/325015152.db2.gz HZXMBVGBEBYWNM-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)nc1 ZINC000130111568 325015155 /nfs/dbraw/zinc/01/51/55/325015155.db2.gz HZXMBVGBEBYWNM-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO CCc1cnc(C[N@@H+]2CCSC[C@@H]2CO)o1 ZINC000543186074 325076184 /nfs/dbraw/zinc/07/61/84/325076184.db2.gz DPYDXMGNZKXPSB-VIFPVBQESA-N 1 2 242.344 1.147 20 0 BDADLO CCc1cnc(C[N@H+]2CCSC[C@@H]2CO)o1 ZINC000543186074 325076186 /nfs/dbraw/zinc/07/61/86/325076186.db2.gz DPYDXMGNZKXPSB-VIFPVBQESA-N 1 2 242.344 1.147 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000543748358 325109070 /nfs/dbraw/zinc/10/90/70/325109070.db2.gz HLSSVTPWPHGNTL-MNOVXSKESA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(NC(=O)NCC[C@H]2CCOC2)cc[nH+]1 ZINC000544262413 325136530 /nfs/dbraw/zinc/13/65/30/325136530.db2.gz RZOSXQTVDHJTHF-NSHDSACASA-N 1 2 249.314 1.360 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC(F)(F)F ZINC000131440056 325151475 /nfs/dbraw/zinc/15/14/75/325151475.db2.gz RPRQDXDLDVQBAN-UHFFFAOYSA-N 1 2 234.177 1.981 20 0 BDADLO Cc1ccc(C(C)(C)[NH2+]Cc2nncn2C)cn1 ZINC000544759226 325158147 /nfs/dbraw/zinc/15/81/47/325158147.db2.gz YCCPBMNCSLVRLO-UHFFFAOYSA-N 1 2 245.330 1.543 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)N(CC)CC)CCO1 ZINC000131639305 325172011 /nfs/dbraw/zinc/17/20/11/325172011.db2.gz ALXFZRLCGOBWCM-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)CCO1 ZINC000131639305 325172015 /nfs/dbraw/zinc/17/20/15/325172015.db2.gz ALXFZRLCGOBWCM-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(CC2CCC2)n1 ZINC000545135396 325179260 /nfs/dbraw/zinc/17/92/60/325179260.db2.gz HNYCGEZLEKHLLF-UHFFFAOYSA-N 1 2 232.287 1.737 20 0 BDADLO Cc1cc(F)ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000132354304 325212152 /nfs/dbraw/zinc/21/21/52/325212152.db2.gz DJJSHCFOONQATP-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H](CCC)C1 ZINC000132458584 325217268 /nfs/dbraw/zinc/21/72/68/325217268.db2.gz GXEQQVGDUXKZRG-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H](CCC)C1 ZINC000132458584 325217273 /nfs/dbraw/zinc/21/72/73/325217273.db2.gz GXEQQVGDUXKZRG-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO C[N@H+](Cc1cccnc1)[C@@H]1CCN(C2CC2)C1=O ZINC000132494474 325221641 /nfs/dbraw/zinc/22/16/41/325221641.db2.gz WXMBBVIWSIMVNJ-CYBMUJFWSA-N 1 2 245.326 1.277 20 0 BDADLO C[N@@H+](Cc1cccnc1)[C@@H]1CCN(C2CC2)C1=O ZINC000132494474 325221645 /nfs/dbraw/zinc/22/16/45/325221645.db2.gz WXMBBVIWSIMVNJ-CYBMUJFWSA-N 1 2 245.326 1.277 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(=O)OC(C)C)C(C)C ZINC000545884541 325241825 /nfs/dbraw/zinc/24/18/25/325241825.db2.gz QEQPCQIGACRZRF-NSHDSACASA-N 1 2 245.319 1.115 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccon1 ZINC000132848727 325248235 /nfs/dbraw/zinc/24/82/35/325248235.db2.gz HKALFGVVIAXPOL-UHFFFAOYSA-N 1 2 219.200 1.331 20 0 BDADLO Cn1cc[nH+]c1CSc1nnc(C2CC2)n1C ZINC000133044836 325262755 /nfs/dbraw/zinc/26/27/55/325262755.db2.gz RFWCHWVMYNUGSJ-UHFFFAOYSA-N 1 2 249.343 1.718 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000546553566 325287207 /nfs/dbraw/zinc/28/72/07/325287207.db2.gz BWJHICVXZHTPJX-WDEREUQCSA-N 1 2 244.298 1.907 20 0 BDADLO Cc1cc(NC(=O)c2cncnc2)c(C)c[nH+]1 ZINC000546889649 325316891 /nfs/dbraw/zinc/31/68/91/325316891.db2.gz JQAJLSQHOCYTHY-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO CCn1ccnc1C[N@H+](C)CCSC ZINC000134198492 325348235 /nfs/dbraw/zinc/34/82/35/325348235.db2.gz GIKLGVMSUXCTHT-UHFFFAOYSA-N 1 2 213.350 1.698 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CCSC ZINC000134198492 325348237 /nfs/dbraw/zinc/34/82/37/325348237.db2.gz GIKLGVMSUXCTHT-UHFFFAOYSA-N 1 2 213.350 1.698 20 0 BDADLO Cc1cnc(C[NH2+]C(C)(C)c2cnn(C)c2)nc1 ZINC000547413560 325351987 /nfs/dbraw/zinc/35/19/87/325351987.db2.gz NMZGHOAIDSTDGD-UHFFFAOYSA-N 1 2 245.330 1.543 20 0 BDADLO CO[C@H](C(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000547436723 325354495 /nfs/dbraw/zinc/35/44/95/325354495.db2.gz VGIMAGGWMKTVGN-LBPRGKRZSA-N 1 2 236.315 1.730 20 0 BDADLO CCc1cnc(C[N@H+](CCOC)C2CC2)o1 ZINC000547449040 325356251 /nfs/dbraw/zinc/35/62/51/325356251.db2.gz RVXKRJBUMHWZAT-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@@H+](CCOC)C2CC2)o1 ZINC000547449040 325356253 /nfs/dbraw/zinc/35/62/53/325356253.db2.gz RVXKRJBUMHWZAT-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@H]1CCCC[C@@H]1O ZINC000134602209 325366857 /nfs/dbraw/zinc/36/68/57/325366857.db2.gz XSVPDAJZWCNHAF-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@H]1CCCC[C@@H]1O ZINC000134602209 325366860 /nfs/dbraw/zinc/36/68/60/325366860.db2.gz XSVPDAJZWCNHAF-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ccncc1C#N ZINC000547511965 325366891 /nfs/dbraw/zinc/36/68/91/325366891.db2.gz NEARGGBJCNJNSJ-UHFFFAOYSA-N 1 2 241.298 1.676 20 0 BDADLO C[C@@H]1C[NH+](Cc2nccc(N)n2)C[C@@H](C)S1 ZINC000135104180 325393603 /nfs/dbraw/zinc/39/36/03/325393603.db2.gz VQQFYLOZBBIQFQ-RKDXNWHRSA-N 1 2 238.360 1.385 20 0 BDADLO Cc1ncccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000135483138 325414343 /nfs/dbraw/zinc/41/43/43/325414343.db2.gz NKRFASSUSLVEBB-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO CC[C@H](NC(=O)c1ccnnc1C)c1[nH]cc[nH+]1 ZINC000548078010 325426654 /nfs/dbraw/zinc/42/66/54/325426654.db2.gz IDRHXCOZFFIRHN-JTQLQIEISA-N 1 2 245.286 1.389 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000082609855 325544634 /nfs/dbraw/zinc/54/46/34/325544634.db2.gz LCEOLFDEIRVGNS-SNVBAGLBSA-N 1 2 244.335 1.232 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H]2CC=CCC2)c[nH+]1 ZINC000552018986 325587024 /nfs/dbraw/zinc/58/70/24/325587024.db2.gz YBNIMOYNWDELNL-SNVBAGLBSA-N 1 2 246.314 1.170 20 0 BDADLO CCO[C@H]1C[C@H]1[NH2+]Cc1c(F)ccc(O)c1F ZINC000552024159 325588325 /nfs/dbraw/zinc/58/83/25/325588325.db2.gz HNOKTMCJHJTOHF-KOLCDFICSA-N 1 2 243.253 1.937 20 0 BDADLO Cc1ccoc1CNC(=O)Cc1c[nH+]cn1C ZINC000553660631 325697463 /nfs/dbraw/zinc/69/74/63/325697463.db2.gz HBKWWODGTDQZPH-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252855452 325698696 /nfs/dbraw/zinc/69/86/96/325698696.db2.gz HOFJWYKZTDIWHX-GARJFASQSA-N 1 2 234.299 1.297 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682475225 487969163 /nfs/dbraw/zinc/96/91/63/487969163.db2.gz VBJPFOJTEVKVNB-ZYHUDNBSSA-N 1 2 247.342 1.608 20 0 BDADLO Clc1cncnc1N1CC(n2cc[nH+]c2)C1 ZINC000682466840 487969299 /nfs/dbraw/zinc/96/92/99/487969299.db2.gz OFZDDMLDHHTJDF-UHFFFAOYSA-N 1 2 235.678 1.388 20 0 BDADLO CCC[C@@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC000564639824 325800358 /nfs/dbraw/zinc/80/03/58/325800358.db2.gz DYJZBNRMLJEBBF-SNVBAGLBSA-N 1 2 209.293 1.578 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CCC1(C)C ZINC000564639127 325800553 /nfs/dbraw/zinc/80/05/53/325800553.db2.gz YUAHZWRFLVFADN-UHFFFAOYSA-N 1 2 236.319 1.597 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152798672 325802045 /nfs/dbraw/zinc/80/20/45/325802045.db2.gz FWXFISZICWMDTE-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO F[C@@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000566353893 326036078 /nfs/dbraw/zinc/03/60/78/326036078.db2.gz MKFCOXARZKZAIT-SNVBAGLBSA-N 1 2 234.278 1.663 20 0 BDADLO F[C@@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000566353893 326036082 /nfs/dbraw/zinc/03/60/82/326036082.db2.gz MKFCOXARZKZAIT-SNVBAGLBSA-N 1 2 234.278 1.663 20 0 BDADLO Cc1noc([C@@H](C)N(C)c2cc[nH+]c(C)n2)n1 ZINC000566481795 326055653 /nfs/dbraw/zinc/05/56/53/326055653.db2.gz BXPYJMRGHVTAQC-SSDOTTSWSA-N 1 2 233.275 1.674 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000566673892 326073014 /nfs/dbraw/zinc/07/30/14/326073014.db2.gz FYMHMYPXYNYGBW-RYUDHWBXSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000566673892 326073015 /nfs/dbraw/zinc/07/30/15/326073015.db2.gz FYMHMYPXYNYGBW-RYUDHWBXSA-N 1 2 247.342 1.813 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCn3nncc3C2)O1 ZINC000566687981 326074605 /nfs/dbraw/zinc/07/46/05/326074605.db2.gz UMPZSRXUCYIMQY-NSHDSACASA-N 1 2 236.319 1.051 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCn3nncc3C2)O1 ZINC000566687981 326074607 /nfs/dbraw/zinc/07/46/07/326074607.db2.gz UMPZSRXUCYIMQY-NSHDSACASA-N 1 2 236.319 1.051 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(C2CCC2)C1 ZINC000566695352 326075344 /nfs/dbraw/zinc/07/53/44/326075344.db2.gz DNDBLAKOMOAVAQ-UHFFFAOYSA-N 1 2 233.315 1.221 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC=CCC1 ZINC000566925217 326095118 /nfs/dbraw/zinc/09/51/18/326095118.db2.gz ZXTXZTZIBLBJPW-MNOVXSKESA-N 1 2 233.315 1.813 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC=CCC1 ZINC000566925217 326095119 /nfs/dbraw/zinc/09/51/19/326095119.db2.gz ZXTXZTZIBLBJPW-MNOVXSKESA-N 1 2 233.315 1.813 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CC)C1CC1 ZINC000153560653 326101779 /nfs/dbraw/zinc/10/17/79/326101779.db2.gz GQKDLVZGUYHBFT-UHFFFAOYSA-N 1 2 222.336 1.981 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CC)C1CC1 ZINC000153560653 326101782 /nfs/dbraw/zinc/10/17/82/326101782.db2.gz GQKDLVZGUYHBFT-UHFFFAOYSA-N 1 2 222.336 1.981 20 0 BDADLO Cc1ocnc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567279154 326155401 /nfs/dbraw/zinc/15/54/01/326155401.db2.gz YEBYXICMFCYNBO-SECBINFHSA-N 1 2 248.286 1.447 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2COC[C@H]2OC)cs1 ZINC000567350150 326170795 /nfs/dbraw/zinc/17/07/95/326170795.db2.gz VBAQDPPZSRTLMA-NXEZZACHSA-N 1 2 242.344 1.209 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000567355051 326173135 /nfs/dbraw/zinc/17/31/35/326173135.db2.gz XPKVMUKKNSMZRV-LLVKDONJSA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCO1 ZINC000567355051 326173138 /nfs/dbraw/zinc/17/31/38/326173138.db2.gz XPKVMUKKNSMZRV-LLVKDONJSA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000567355051 326173140 /nfs/dbraw/zinc/17/31/40/326173140.db2.gz XPKVMUKKNSMZRV-LLVKDONJSA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000567355051 326173142 /nfs/dbraw/zinc/17/31/42/326173142.db2.gz XPKVMUKKNSMZRV-LLVKDONJSA-N 1 2 249.289 1.733 20 0 BDADLO CCC[C@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000155602371 326203208 /nfs/dbraw/zinc/20/32/08/326203208.db2.gz VQQSARMKFPYXBQ-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO Cn1cnnc1SCc1c[nH+]c2ccccn12 ZINC000155863730 326213227 /nfs/dbraw/zinc/21/32/27/326213227.db2.gz UNEGTPWDMDHFHB-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO CC[C@@]1(C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000567564058 326218382 /nfs/dbraw/zinc/21/83/82/326218382.db2.gz FDGYHKCYCKFYHB-YPMHNXCESA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000156103262 326218747 /nfs/dbraw/zinc/21/87/47/326218747.db2.gz MAGMXOALMAPADU-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC1CCCC1 ZINC000156103262 326218748 /nfs/dbraw/zinc/21/87/48/326218748.db2.gz MAGMXOALMAPADU-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C[N@@H+](CCn2ccsc2=O)C[C@H](C)O1 ZINC000313887796 326284927 /nfs/dbraw/zinc/28/49/27/326284927.db2.gz OUPKQHNUSJZBKF-AOOOYVTPSA-N 1 2 242.344 1.019 20 0 BDADLO C[C@@H]1C[N@H+](CCn2ccsc2=O)C[C@H](C)O1 ZINC000313887796 326284928 /nfs/dbraw/zinc/28/49/28/326284928.db2.gz OUPKQHNUSJZBKF-AOOOYVTPSA-N 1 2 242.344 1.019 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccco1 ZINC000568058332 326301546 /nfs/dbraw/zinc/30/15/46/326301546.db2.gz PJXLDRPKRJLTOB-NXEZZACHSA-N 1 2 231.255 1.148 20 0 BDADLO CC(=O)[C@H](Sc1nc(N)cc(C)[nH+]1)C(C)C ZINC000568087207 326306705 /nfs/dbraw/zinc/30/67/05/326306705.db2.gz VCRDJMZVYHEFJC-SNVBAGLBSA-N 1 2 239.344 1.903 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCOC1)C1CC1 ZINC000568121106 326310448 /nfs/dbraw/zinc/31/04/48/326310448.db2.gz SAUFHAZEWSAFOF-QWRGUYRKSA-N 1 2 249.314 1.024 20 0 BDADLO C[C@@H](NC(=O)c1ccc(C#N)n1C)c1[nH]cc[nH+]1 ZINC000568233686 326330907 /nfs/dbraw/zinc/33/09/07/326330907.db2.gz WLRJWGBHRJKLIJ-MRVPVSSYSA-N 1 2 243.270 1.111 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568234446 326331045 /nfs/dbraw/zinc/33/10/45/326331045.db2.gz PIEAVZSOYHUWMU-BBBLOLIVSA-N 1 2 239.319 1.648 20 0 BDADLO CN1CCC[C@@H]([NH+]2CC(C(F)(F)F)C2)C1=O ZINC000568473976 326358572 /nfs/dbraw/zinc/35/85/72/326358572.db2.gz JQLWYGZNTFCYOX-MRVPVSSYSA-N 1 2 236.237 1.101 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)CC1(C)C ZINC000568531194 326363947 /nfs/dbraw/zinc/36/39/47/326363947.db2.gz XDBQKNPOILMRMC-VIFPVBQESA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)CC1(C)C ZINC000568531194 326363949 /nfs/dbraw/zinc/36/39/49/326363949.db2.gz XDBQKNPOILMRMC-VIFPVBQESA-N 1 2 249.314 1.168 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000568548789 326364884 /nfs/dbraw/zinc/36/48/84/326364884.db2.gz HWGUFVYQYWYKQD-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CO)C2)on1 ZINC000568828079 326378306 /nfs/dbraw/zinc/37/83/06/326378306.db2.gz CTPCMVDWEYHTIY-JTQLQIEISA-N 1 2 238.287 1.082 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCC[C@H](CO)C2)on1 ZINC000568828079 326378308 /nfs/dbraw/zinc/37/83/08/326378308.db2.gz CTPCMVDWEYHTIY-JTQLQIEISA-N 1 2 238.287 1.082 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000569180476 326393819 /nfs/dbraw/zinc/39/38/19/326393819.db2.gz FIMWGWAHKUZOMF-LLVKDONJSA-N 1 2 246.314 1.881 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000569180476 326393820 /nfs/dbraw/zinc/39/38/20/326393820.db2.gz FIMWGWAHKUZOMF-LLVKDONJSA-N 1 2 246.314 1.881 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682512350 487972930 /nfs/dbraw/zinc/97/29/30/487972930.db2.gz XQSPGFZAVKSFGI-UTUOFQBUSA-N 1 2 247.342 1.845 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccnc(C2CC2)c1 ZINC000679999533 487975843 /nfs/dbraw/zinc/97/58/43/487975843.db2.gz LPRSTSRPNHIRKD-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccnc(C2CC2)c1 ZINC000679999533 487975847 /nfs/dbraw/zinc/97/58/47/487975847.db2.gz LPRSTSRPNHIRKD-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]c[nH]2)o1 ZINC000677146589 487982945 /nfs/dbraw/zinc/98/29/45/487982945.db2.gz JRJGINZSMYOFMS-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH]c[nH+]2)o1 ZINC000677146589 487982950 /nfs/dbraw/zinc/98/29/50/487982950.db2.gz JRJGINZSMYOFMS-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523450 487988307 /nfs/dbraw/zinc/98/83/07/487988307.db2.gz XXSIJTBYPSXFBQ-BDAKNGLRSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523450 487988313 /nfs/dbraw/zinc/98/83/13/487988313.db2.gz XXSIJTBYPSXFBQ-BDAKNGLRSA-N 1 2 221.304 1.429 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013540 487994299 /nfs/dbraw/zinc/99/42/99/487994299.db2.gz OSMVZPHEXBWKIM-JTQLQIEISA-N 1 2 208.236 1.058 20 0 BDADLO NC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013540 487994304 /nfs/dbraw/zinc/99/43/04/487994304.db2.gz OSMVZPHEXBWKIM-JTQLQIEISA-N 1 2 208.236 1.058 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668603642 487996100 /nfs/dbraw/zinc/99/61/00/487996100.db2.gz IEBGXQZSLPFKFZ-IVZWLZJFSA-N 1 2 219.288 1.462 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667492667 488025606 /nfs/dbraw/zinc/02/56/06/488025606.db2.gz QRJHUAHSMPBFDJ-SNVBAGLBSA-N 1 2 221.304 1.050 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667492667 488025609 /nfs/dbraw/zinc/02/56/09/488025609.db2.gz QRJHUAHSMPBFDJ-SNVBAGLBSA-N 1 2 221.304 1.050 20 0 BDADLO CCCn1nccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000668634870 488033595 /nfs/dbraw/zinc/03/35/95/488033595.db2.gz DVCIIGREOAQCGB-UHFFFAOYSA-N 1 2 244.298 1.671 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000667544007 488041402 /nfs/dbraw/zinc/04/14/02/488041402.db2.gz SSQUTFLZINHYOK-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccnn1CC1CC1 ZINC000667544007 488041403 /nfs/dbraw/zinc/04/14/03/488041403.db2.gz SSQUTFLZINHYOK-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC1(C)C ZINC000668647037 488051602 /nfs/dbraw/zinc/05/16/02/488051602.db2.gz NQJLWODFBIKCMW-GMTAPVOTSA-N 1 2 247.342 1.686 20 0 BDADLO Cc1cc(C)nc(-n2c[nH+]c(CCCO)c2)n1 ZINC000677506562 488057671 /nfs/dbraw/zinc/05/76/71/488057671.db2.gz WICZQDSJLAWCSV-UHFFFAOYSA-N 1 2 232.287 1.204 20 0 BDADLO CO[C@@]1(CO)CCCN(c2cccc[nH+]2)C1 ZINC000401874256 488071401 /nfs/dbraw/zinc/07/14/01/488071401.db2.gz DKUMLACNWIDEMN-LBPRGKRZSA-N 1 2 222.288 1.059 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cnco1 ZINC000677557641 488072875 /nfs/dbraw/zinc/07/28/75/488072875.db2.gz XBVSLRNAGLWMRD-UHFFFAOYSA-N 1 2 248.286 1.457 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000667661339 488078857 /nfs/dbraw/zinc/07/88/57/488078857.db2.gz CAUJWAYDVUOIGL-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO CCCn1nccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000667661339 488078859 /nfs/dbraw/zinc/07/88/59/488078859.db2.gz CAUJWAYDVUOIGL-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000667661339 488078861 /nfs/dbraw/zinc/07/88/61/488078861.db2.gz CAUJWAYDVUOIGL-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO CCCn1nccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000667661339 488078864 /nfs/dbraw/zinc/07/88/64/488078864.db2.gz CAUJWAYDVUOIGL-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000683004110 488086239 /nfs/dbraw/zinc/08/62/39/488086239.db2.gz VTNORCMHPZUGRJ-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1ccnc(C[N@H+](C)CC(=O)NC(C)C)c1 ZINC000683004110 488086243 /nfs/dbraw/zinc/08/62/43/488086243.db2.gz VTNORCMHPZUGRJ-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC1(C)C)CC2 ZINC000665798431 488096106 /nfs/dbraw/zinc/09/61/06/488096106.db2.gz JWMVZXMBXAJGHZ-JTQLQIEISA-N 1 2 248.330 1.515 20 0 BDADLO COCC1([N@H+](C)Cc2ncc(C)o2)CC1 ZINC000677728233 488105226 /nfs/dbraw/zinc/10/52/26/488105226.db2.gz RWJCQPAORMPBOF-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COCC1([N@@H+](C)Cc2ncc(C)o2)CC1 ZINC000677728233 488105232 /nfs/dbraw/zinc/10/52/32/488105232.db2.gz RWJCQPAORMPBOF-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734192 488112643 /nfs/dbraw/zinc/11/26/43/488112643.db2.gz QNOOPVAOWNCQSJ-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000678362094 488113486 /nfs/dbraw/zinc/11/34/86/488113486.db2.gz RDZOZLYICCVNPS-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](C(F)F)C2)nc1 ZINC000677735335 488114093 /nfs/dbraw/zinc/11/40/93/488114093.db2.gz YXYHDEMEUSLRBP-SECBINFHSA-N 1 2 227.258 1.872 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](C(F)F)C2)nc1 ZINC000677735335 488114095 /nfs/dbraw/zinc/11/40/95/488114095.db2.gz YXYHDEMEUSLRBP-SECBINFHSA-N 1 2 227.258 1.872 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000451814578 488114908 /nfs/dbraw/zinc/11/49/08/488114908.db2.gz KMFBFEWMUYVBIE-JQWIXIFHSA-N 1 2 235.331 1.863 20 0 BDADLO CN(Cc1nc(C2CC2)no1)Cc1[nH]cc[nH+]1 ZINC000677802662 488125918 /nfs/dbraw/zinc/12/59/18/488125918.db2.gz QWFAPPWINVYOMY-UHFFFAOYSA-N 1 2 233.275 1.302 20 0 BDADLO CN1Cc2ccccc2[C@H]([NH2+]Cc2cocn2)C1 ZINC000683203613 488129179 /nfs/dbraw/zinc/12/91/79/488129179.db2.gz IYUNHZHGTMEFGO-CQSZACIVSA-N 1 2 243.310 1.951 20 0 BDADLO CN(CCO)c1ccc(NCc2cocn2)[nH+]c1 ZINC000683203983 488129429 /nfs/dbraw/zinc/12/94/29/488129429.db2.gz RJYZWLCLJBDVGY-UHFFFAOYSA-N 1 2 248.286 1.110 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cocn2)C1 ZINC000683203613 488129168 /nfs/dbraw/zinc/12/91/68/488129168.db2.gz IYUNHZHGTMEFGO-CQSZACIVSA-N 1 2 243.310 1.951 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cocn2)C1 ZINC000683203613 488129171 /nfs/dbraw/zinc/12/91/71/488129171.db2.gz IYUNHZHGTMEFGO-CQSZACIVSA-N 1 2 243.310 1.951 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCSC1 ZINC000526030193 487538996 /nfs/dbraw/zinc/53/89/96/487538996.db2.gz SEKOMZPQOOMAJG-VIFPVBQESA-N 1 2 239.344 1.212 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCSC1 ZINC000526030193 487539000 /nfs/dbraw/zinc/53/90/00/487539000.db2.gz SEKOMZPQOOMAJG-VIFPVBQESA-N 1 2 239.344 1.212 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)NC)o1 ZINC000668790077 487539893 /nfs/dbraw/zinc/53/98/93/487539893.db2.gz GUJMPFYMQRVRNU-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)NC)o1 ZINC000668790077 487539896 /nfs/dbraw/zinc/53/98/96/487539896.db2.gz GUJMPFYMQRVRNU-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000668790081 487540276 /nfs/dbraw/zinc/54/02/76/487540276.db2.gz GUZLAPAGCSKNIW-UHFFFAOYSA-N 1 2 239.344 1.198 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCCC2(F)F)c[nH+]1 ZINC000673377038 487540209 /nfs/dbraw/zinc/54/02/09/487540209.db2.gz VBTOFGPCXHPDFG-MRVPVSSYSA-N 1 2 229.230 1.636 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000668790081 487540271 /nfs/dbraw/zinc/54/02/71/487540271.db2.gz GUZLAPAGCSKNIW-UHFFFAOYSA-N 1 2 239.344 1.198 20 0 BDADLO CCn1ccc(NCc2c[nH+]cn2CC)n1 ZINC000300879995 487542078 /nfs/dbraw/zinc/54/20/78/487542078.db2.gz MOOUADAGJQOYCL-UHFFFAOYSA-N 1 2 219.292 1.732 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC=CC1 ZINC000655222676 487543434 /nfs/dbraw/zinc/54/34/34/487543434.db2.gz FMTNDQMBONGHFE-LLVKDONJSA-N 1 2 245.326 1.670 20 0 BDADLO CCOC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000685561702 487543867 /nfs/dbraw/zinc/54/38/67/487543867.db2.gz BPIZGQVPOCDYNB-VIFPVBQESA-N 1 2 239.319 1.940 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000668791573 487545296 /nfs/dbraw/zinc/54/52/96/487545296.db2.gz QHDPXPDTQVWSQI-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000668791573 487545302 /nfs/dbraw/zinc/54/53/02/487545302.db2.gz QHDPXPDTQVWSQI-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H]2C[C@H]2C1 ZINC000664523983 487552685 /nfs/dbraw/zinc/55/26/85/487552685.db2.gz JSAHSSWNBRPQIR-UWVGGRQHSA-N 1 2 219.288 1.640 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccco2)c1 ZINC000680255616 487553622 /nfs/dbraw/zinc/55/36/22/487553622.db2.gz KBKFEZYPMGMEKA-UHFFFAOYSA-N 1 2 231.255 1.993 20 0 BDADLO CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)OC ZINC000336697704 487555781 /nfs/dbraw/zinc/55/57/81/487555781.db2.gz UWKPBCUYGJVTNY-HLTSFMKQSA-N 1 2 217.334 1.422 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000673927504 487481627 /nfs/dbraw/zinc/48/16/27/487481627.db2.gz IUAPHMPEQGQLKP-UHFFFAOYSA-N 1 2 238.335 1.146 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000673927504 487481629 /nfs/dbraw/zinc/48/16/29/487481629.db2.gz IUAPHMPEQGQLKP-UHFFFAOYSA-N 1 2 238.335 1.146 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(C(F)(F)F)CC1 ZINC000673934668 487483883 /nfs/dbraw/zinc/48/38/83/487483883.db2.gz GYUIEASHDLIVGV-UHFFFAOYSA-N 1 2 233.193 1.368 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(C(F)(F)F)CC1 ZINC000673934668 487483887 /nfs/dbraw/zinc/48/38/87/487483887.db2.gz GYUIEASHDLIVGV-UHFFFAOYSA-N 1 2 233.193 1.368 20 0 BDADLO CCc1noc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000679873358 487479366 /nfs/dbraw/zinc/47/93/66/487479366.db2.gz JPKUFIGSRJFFTR-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO CCc1noc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000679873358 487479369 /nfs/dbraw/zinc/47/93/69/487479369.db2.gz JPKUFIGSRJFFTR-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO O=C(CCC1CCOCC1)NCc1c[nH+]c[nH]1 ZINC000673934816 487484264 /nfs/dbraw/zinc/48/42/64/487484264.db2.gz IRRCKBPRLVPGHO-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO O=C(CCC1CCOCC1)NCc1c[nH]c[nH+]1 ZINC000673934816 487484267 /nfs/dbraw/zinc/48/42/67/487484267.db2.gz IRRCKBPRLVPGHO-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2cccnc2)s1 ZINC000662256749 487494147 /nfs/dbraw/zinc/49/41/47/487494147.db2.gz NTAWXOMNJNYTMM-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2cccnc2)s1 ZINC000662256749 487494149 /nfs/dbraw/zinc/49/41/49/487494149.db2.gz NTAWXOMNJNYTMM-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000685037850 487495158 /nfs/dbraw/zinc/49/51/58/487495158.db2.gz LKDCRZXZMIBFSB-QMMMGPOBSA-N 1 2 248.252 1.335 20 0 BDADLO FCCn1ncnc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000685037850 487495163 /nfs/dbraw/zinc/49/51/63/487495163.db2.gz LKDCRZXZMIBFSB-QMMMGPOBSA-N 1 2 248.252 1.335 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013106 487500123 /nfs/dbraw/zinc/50/01/23/487500123.db2.gz KMKMUYLQEBOCQD-RYUDHWBXSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013106 487500131 /nfs/dbraw/zinc/50/01/31/487500131.db2.gz KMKMUYLQEBOCQD-RYUDHWBXSA-N 1 2 236.290 1.836 20 0 BDADLO COc1cc(NC(=O)CCn2cc[nH+]c2)ccn1 ZINC000685113921 487500557 /nfs/dbraw/zinc/50/05/57/487500557.db2.gz LEIGZFOYKPLRCN-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2=CCSC2)s1 ZINC000662266805 487503536 /nfs/dbraw/zinc/50/35/36/487503536.db2.gz MUCZIBXIHPYPBJ-UHFFFAOYSA-N 1 2 241.385 1.952 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2=CCSC2)s1 ZINC000662266805 487503539 /nfs/dbraw/zinc/50/35/39/487503539.db2.gz MUCZIBXIHPYPBJ-UHFFFAOYSA-N 1 2 241.385 1.952 20 0 BDADLO OC[C@H]1CCCCC[N@@H+]1Cc1csnn1 ZINC000379843312 488153089 /nfs/dbraw/zinc/15/30/89/488153089.db2.gz HELLKTJEGXDNPA-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@H]1CCCCC[N@H+]1Cc1csnn1 ZINC000379843312 488153091 /nfs/dbraw/zinc/15/30/91/488153091.db2.gz HELLKTJEGXDNPA-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(COC)cs1 ZINC000668788326 487533831 /nfs/dbraw/zinc/53/38/31/487533831.db2.gz MLUCUPLXJZWMCA-UHFFFAOYSA-N 1 2 242.344 1.072 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(COC)cs1 ZINC000668788326 487533838 /nfs/dbraw/zinc/53/38/38/487533838.db2.gz MLUCUPLXJZWMCA-UHFFFAOYSA-N 1 2 242.344 1.072 20 0 BDADLO c1[nH+]cn2c1CN(c1cc3c(nn1)CCC3)CC2 ZINC000685925347 487598522 /nfs/dbraw/zinc/59/85/22/487598522.db2.gz HYOPOAJIOSVIAK-UHFFFAOYSA-N 1 2 241.298 1.182 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2ccccn2c1 ZINC000674715542 487608676 /nfs/dbraw/zinc/60/86/76/487608676.db2.gz ASYCNVDIBJNBKP-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2ccccn2c1 ZINC000674715542 487608680 /nfs/dbraw/zinc/60/86/80/487608680.db2.gz ASYCNVDIBJNBKP-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1c(F)cncc1F ZINC000671730554 487712357 /nfs/dbraw/zinc/71/23/57/487712357.db2.gz WMLYKLKUPDJXNX-ZETCQYMHSA-N 1 2 238.241 1.934 20 0 BDADLO Cc1ccc2[nH+]cc(CNCc3cocn3)n2c1 ZINC000676415430 487849798 /nfs/dbraw/zinc/84/97/98/487849798.db2.gz AKQBSGHUYOATRT-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1ccc2ncc(C[NH2+]Cc3cocn3)n2c1 ZINC000676415430 487849802 /nfs/dbraw/zinc/84/98/02/487849802.db2.gz AKQBSGHUYOATRT-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO C[C@@H](Nc1nccn2cnnc12)c1[nH]cc[nH+]1 ZINC000139882897 487859381 /nfs/dbraw/zinc/85/93/81/487859381.db2.gz RIXPITSIATZWFJ-SSDOTTSWSA-N 1 2 229.247 1.021 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@@H+]1CCOCC12CC2 ZINC000670273176 487895643 /nfs/dbraw/zinc/89/56/43/487895643.db2.gz MWQDLFFHBIXUNI-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@H+]1CCOCC12CC2 ZINC000670273176 487895648 /nfs/dbraw/zinc/89/56/48/487895648.db2.gz MWQDLFFHBIXUNI-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc(N2CC[C@@H](Nc3cccnn3)C2)[nH+]c1 ZINC000677125123 487976084 /nfs/dbraw/zinc/97/60/84/487976084.db2.gz JFWCGVDJPOOPQQ-LLVKDONJSA-N 1 2 241.298 1.562 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000682405657 488021014 /nfs/dbraw/zinc/02/10/14/488021014.db2.gz XFJAZTBLJBPGIG-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000682405657 488021016 /nfs/dbraw/zinc/02/10/16/488021016.db2.gz XFJAZTBLJBPGIG-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000682405657 488021018 /nfs/dbraw/zinc/02/10/18/488021018.db2.gz XFJAZTBLJBPGIG-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000682405657 488021020 /nfs/dbraw/zinc/02/10/20/488021020.db2.gz XFJAZTBLJBPGIG-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cn[nH]c2)C1 ZINC000677426263 488034405 /nfs/dbraw/zinc/03/44/05/488034405.db2.gz KOVLDLPEEQSIMG-AWEZNQCLSA-N 1 2 242.326 1.686 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cn[nH]c2)C1 ZINC000677426263 488034406 /nfs/dbraw/zinc/03/44/06/488034406.db2.gz KOVLDLPEEQSIMG-AWEZNQCLSA-N 1 2 242.326 1.686 20 0 BDADLO Clc1cnc(CNCc2[nH]cc[nH+]2)s1 ZINC000223041004 488136830 /nfs/dbraw/zinc/13/68/30/488136830.db2.gz RZPUBHRTQZUOFY-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO Cc1ocnc1CNC(=O)CCCn1cc[nH+]c1 ZINC000677844362 488139555 /nfs/dbraw/zinc/13/95/55/488139555.db2.gz DTHJGGIVJZYNEB-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO C[C@H](CNc1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000683457391 488166245 /nfs/dbraw/zinc/16/62/45/488166245.db2.gz RMPANNPSQNRGPA-SSDOTTSWSA-N 1 2 246.318 1.404 20 0 BDADLO Cc1cccc2nc(C[NH2+]Cc3cn[nH]c3)[nH]c21 ZINC000677967651 488166654 /nfs/dbraw/zinc/16/66/54/488166654.db2.gz ATLGITKMDWUYEB-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551056 488167865 /nfs/dbraw/zinc/16/78/65/488167865.db2.gz SIFHJHRFLBTYNY-OUAUKWLOSA-N 1 2 233.315 1.218 20 0 BDADLO Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000085541349 488181845 /nfs/dbraw/zinc/18/18/45/488181845.db2.gz BNRQILFGADNOGJ-PHIMTYICSA-N 1 2 219.288 1.027 20 0 BDADLO Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000085541349 488181847 /nfs/dbraw/zinc/18/18/47/488181847.db2.gz BNRQILFGADNOGJ-PHIMTYICSA-N 1 2 219.288 1.027 20 0 BDADLO CCCn1c(C)nnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000678053170 488188333 /nfs/dbraw/zinc/18/83/33/488188333.db2.gz LALYUEASSRIAPC-UHFFFAOYSA-N 1 2 248.334 1.352 20 0 BDADLO COc1cc(C)nc(N(C)Cc2[nH+]ccn2C)n1 ZINC000678063183 488190090 /nfs/dbraw/zinc/19/00/90/488190090.db2.gz PDQOHYUCSKPYIF-UHFFFAOYSA-N 1 2 247.302 1.164 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ncn(C)n1 ZINC000668029285 488190430 /nfs/dbraw/zinc/19/04/30/488190430.db2.gz SVOPOAVOQBCIMD-GDPRMGEGSA-N 1 2 236.319 1.033 20 0 BDADLO O=C(c1nccs1)N1CC(n2cc[nH+]c2)C1 ZINC000683550732 488192842 /nfs/dbraw/zinc/19/28/42/488192842.db2.gz JIYDRTBJYIAVEQ-UHFFFAOYSA-N 1 2 234.284 1.037 20 0 BDADLO Cc1cc(CNC(=O)Nc2cc[nH+]cc2C)[nH]n1 ZINC000678095836 488197610 /nfs/dbraw/zinc/19/76/10/488197610.db2.gz KEJZIJIHYDRONI-UHFFFAOYSA-N 1 2 245.286 1.165 20 0 BDADLO c1coc(CCc2noc(Cn3cc[nH+]c3)n2)c1 ZINC000683581368 488200844 /nfs/dbraw/zinc/20/08/44/488200844.db2.gz FRPHERPRSIGKLT-UHFFFAOYSA-N 1 2 244.254 1.693 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C)o1 ZINC000678139545 488205670 /nfs/dbraw/zinc/20/56/70/488205670.db2.gz VELCMHGHHRCKQS-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C)o1 ZINC000678139545 488205673 /nfs/dbraw/zinc/20/56/73/488205673.db2.gz VELCMHGHHRCKQS-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO Cc1[nH+]c2ccccc2n1CCNC(N)=O ZINC000078368149 488206597 /nfs/dbraw/zinc/20/65/97/488206597.db2.gz XLKRVRZDINUYCJ-UHFFFAOYSA-N 1 2 218.260 1.013 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)N1CCc2ccccc21 ZINC000678177443 488212414 /nfs/dbraw/zinc/21/24/14/488212414.db2.gz VQHJUWYUEGDGEW-UHFFFAOYSA-N 1 2 242.282 1.682 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000678267024 488231429 /nfs/dbraw/zinc/23/14/29/488231429.db2.gz YHXSAEYJZGKBKR-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678267024 488231430 /nfs/dbraw/zinc/23/14/30/488231430.db2.gz YHXSAEYJZGKBKR-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000671920143 488233428 /nfs/dbraw/zinc/23/34/28/488233428.db2.gz FPBZZEWKHNVAID-HTQZYQBOSA-N 1 2 207.277 1.212 20 0 BDADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)[C@H](C)CO1 ZINC000683897111 488233809 /nfs/dbraw/zinc/23/38/09/488233809.db2.gz MYZXQCBKKXRZHF-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@H](C)CO1 ZINC000683897111 488233812 /nfs/dbraw/zinc/23/38/12/488233812.db2.gz MYZXQCBKKXRZHF-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@H](C)CO1 ZINC000683897111 488233814 /nfs/dbraw/zinc/23/38/14/488233814.db2.gz MYZXQCBKKXRZHF-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000683888290 488237182 /nfs/dbraw/zinc/23/71/82/488237182.db2.gz NWBVHNIHGWKDDY-KQXIARHKSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn(C)cn1 ZINC000683897122 488239087 /nfs/dbraw/zinc/23/90/87/488239087.db2.gz NOZGKTGXVZAVER-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(C)cn1 ZINC000683897122 488239088 /nfs/dbraw/zinc/23/90/88/488239088.db2.gz NOZGKTGXVZAVER-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000683897348 488239451 /nfs/dbraw/zinc/23/94/51/488239451.db2.gz ZOIXFUOSZKKRNS-RKDXNWHRSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000683897348 488239453 /nfs/dbraw/zinc/23/94/53/488239453.db2.gz ZOIXFUOSZKKRNS-RKDXNWHRSA-N 1 2 224.304 1.901 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]2C[C@H]21 ZINC000672135885 488239642 /nfs/dbraw/zinc/23/96/42/488239642.db2.gz LUILSJQSCYVHHL-VHSXEESVSA-N 1 2 219.288 1.353 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]2C[C@@H]21 ZINC000672135886 488239701 /nfs/dbraw/zinc/23/97/01/488239701.db2.gz LUILSJQSCYVHHL-ZJUUUORDSA-N 1 2 219.288 1.353 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)CC(=O)NC(C)C)o1 ZINC000683898174 488240189 /nfs/dbraw/zinc/24/01/89/488240189.db2.gz GDYXWVFRUGWZNV-UHFFFAOYSA-N 1 2 239.319 1.248 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)CC(=O)NC(C)C)o1 ZINC000683898174 488240191 /nfs/dbraw/zinc/24/01/91/488240191.db2.gz GDYXWVFRUGWZNV-UHFFFAOYSA-N 1 2 239.319 1.248 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cncs1 ZINC000672147508 488240822 /nfs/dbraw/zinc/24/08/22/488240822.db2.gz OUNUTYKNUVLZIU-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149737 488241521 /nfs/dbraw/zinc/24/15/21/488241521.db2.gz WKXYXROHOOKFNL-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO O=C(CCC1CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152061 488241680 /nfs/dbraw/zinc/24/16/80/488241680.db2.gz FIXFKJOYXOJKKK-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1nccs1 ZINC000672157518 488242435 /nfs/dbraw/zinc/24/24/35/488242435.db2.gz HRBVXIZOBXULPY-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000672156667 488242660 /nfs/dbraw/zinc/24/26/60/488242660.db2.gz RMTQTNUZEBRMES-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO C[N@H+](Cc1cscc1Cl)[C@@H]1CCNC1=O ZINC000678342470 488243470 /nfs/dbraw/zinc/24/34/70/488243470.db2.gz TXLHOCLOMDUQRZ-SECBINFHSA-N 1 2 244.747 1.722 20 0 BDADLO C[N@@H+](Cc1cscc1Cl)[C@@H]1CCNC1=O ZINC000678342470 488243471 /nfs/dbraw/zinc/24/34/71/488243471.db2.gz TXLHOCLOMDUQRZ-SECBINFHSA-N 1 2 244.747 1.722 20 0 BDADLO C[C@](O)(C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000672187655 488243766 /nfs/dbraw/zinc/24/37/66/488243766.db2.gz STAAMGCMICIPJZ-CYBMUJFWSA-N 1 2 245.282 1.434 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC2(CCC2)CC1 ZINC000672255940 488248571 /nfs/dbraw/zinc/24/85/71/488248571.db2.gz GNQYLHBHCLXZJJ-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000672551960 488259645 /nfs/dbraw/zinc/25/96/45/488259645.db2.gz CUWTWDHTEQATSZ-SFYZADRCSA-N 1 2 230.262 1.463 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000672551960 488259648 /nfs/dbraw/zinc/25/96/48/488259648.db2.gz CUWTWDHTEQATSZ-SFYZADRCSA-N 1 2 230.262 1.463 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000684094874 488265986 /nfs/dbraw/zinc/26/59/86/488265986.db2.gz XCUGYIOKDSLDQH-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000684094874 488265988 /nfs/dbraw/zinc/26/59/88/488265988.db2.gz XCUGYIOKDSLDQH-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCCOC[C@@H]1C ZINC000684096184 488266628 /nfs/dbraw/zinc/26/66/28/488266628.db2.gz SAVHDXYNWKSKPR-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCCOC[C@@H]1C ZINC000684096184 488266632 /nfs/dbraw/zinc/26/66/32/488266632.db2.gz SAVHDXYNWKSKPR-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](c3ccco3)C2)[nH]1 ZINC000678716777 488277486 /nfs/dbraw/zinc/27/74/86/488277486.db2.gz NKOWGCFCBLRFBP-QMMMGPOBSA-N 1 2 234.259 1.093 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@H](c3ccco3)C2)[nH]1 ZINC000678716777 488277488 /nfs/dbraw/zinc/27/74/88/488277488.db2.gz NKOWGCFCBLRFBP-QMMMGPOBSA-N 1 2 234.259 1.093 20 0 BDADLO CCOc1ccc(COCc2[nH]cc[nH+]2)nc1 ZINC000679009048 488302764 /nfs/dbraw/zinc/30/27/64/488302764.db2.gz UVAIRLBLDLMKKW-UHFFFAOYSA-N 1 2 233.271 1.920 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCc1ccc[nH]1 ZINC000673682955 488303354 /nfs/dbraw/zinc/30/33/54/488303354.db2.gz UDPKCIWMEROJDS-UHFFFAOYSA-N 1 2 232.287 1.308 20 0 BDADLO C[N@H+](CCn1ccccc1=O)Cc1nccs1 ZINC000673755273 488306534 /nfs/dbraw/zinc/30/65/34/488306534.db2.gz AXZWIHCJGMMNNT-UHFFFAOYSA-N 1 2 249.339 1.437 20 0 BDADLO C[N@@H+](CCn1ccccc1=O)Cc1nccs1 ZINC000673755273 488306537 /nfs/dbraw/zinc/30/65/37/488306537.db2.gz AXZWIHCJGMMNNT-UHFFFAOYSA-N 1 2 249.339 1.437 20 0 BDADLO CN(C)c1ccc(NCc2cncnc2)c[nH+]1 ZINC000054767461 488311399 /nfs/dbraw/zinc/31/13/99/488311399.db2.gz NVWKNOYCLBPWRB-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1Cc2ccc(F)cc21 ZINC000684439703 488313175 /nfs/dbraw/zinc/31/31/75/488313175.db2.gz CXSMUIPNJMGAGV-NSHDSACASA-N 1 2 245.257 1.505 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@H]1F ZINC000679223656 488316287 /nfs/dbraw/zinc/31/62/87/488316287.db2.gz MBQNCHZHKJNGAW-MWLCHTKSSA-N 1 2 228.311 1.287 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1F ZINC000679223656 488316289 /nfs/dbraw/zinc/31/62/89/488316289.db2.gz MBQNCHZHKJNGAW-MWLCHTKSSA-N 1 2 228.311 1.287 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000679219268 488317313 /nfs/dbraw/zinc/31/73/13/488317313.db2.gz FUMGIFOIBOPANE-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000679219268 488317314 /nfs/dbraw/zinc/31/73/14/488317314.db2.gz FUMGIFOIBOPANE-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1F ZINC000679222380 488320024 /nfs/dbraw/zinc/32/00/24/488320024.db2.gz MIYUXWSDMSZZRQ-ZYHUDNBSSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1F ZINC000679222380 488320027 /nfs/dbraw/zinc/32/00/27/488320027.db2.gz MIYUXWSDMSZZRQ-ZYHUDNBSSA-N 1 2 242.338 1.535 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC000684619276 488333046 /nfs/dbraw/zinc/33/30/46/488333046.db2.gz MQVIDCDONKBKNF-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000684619276 488333047 /nfs/dbraw/zinc/33/30/47/488333047.db2.gz MQVIDCDONKBKNF-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO FC(F)[C@@H]1CCCN1Cc1c[nH+]c[nH]1 ZINC000684619985 488334291 /nfs/dbraw/zinc/33/42/91/488334291.db2.gz YGTMJUGRNVRBNV-QMMMGPOBSA-N 1 2 201.220 1.639 20 0 BDADLO FC(F)[C@@H]1CCCN1Cc1c[nH]c[nH+]1 ZINC000684619985 488334292 /nfs/dbraw/zinc/33/42/92/488334292.db2.gz YGTMJUGRNVRBNV-QMMMGPOBSA-N 1 2 201.220 1.639 20 0 BDADLO O=c1cc(C[N@H+]2CC=CCC2)occ1O ZINC000679324029 488337758 /nfs/dbraw/zinc/33/77/58/488337758.db2.gz ZMMZURQIHQONSY-UHFFFAOYSA-N 1 2 207.229 1.107 20 0 BDADLO O=c1cc(C[N@@H+]2CC=CCC2)occ1O ZINC000679324029 488337760 /nfs/dbraw/zinc/33/77/60/488337760.db2.gz ZMMZURQIHQONSY-UHFFFAOYSA-N 1 2 207.229 1.107 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC=CCC1 ZINC000679326422 488339180 /nfs/dbraw/zinc/33/91/80/488339180.db2.gz ZWLCTGPBRZCMNC-UHFFFAOYSA-N 1 2 219.288 1.452 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnc3cnccn23)C[C@@H]1F ZINC000679358054 488344601 /nfs/dbraw/zinc/34/46/01/488344601.db2.gz FMNINLSBVSKYLC-JQWIXIFHSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C[C@@H]1F ZINC000679358054 488344603 /nfs/dbraw/zinc/34/46/03/488344603.db2.gz FMNINLSBVSKYLC-JQWIXIFHSA-N 1 2 248.305 1.909 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccnnc1 ZINC000684820696 488345534 /nfs/dbraw/zinc/34/55/34/488345534.db2.gz FOBNLAOCUKDCGT-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@H](c3ccco3)C2)c1 ZINC000684837514 488348112 /nfs/dbraw/zinc/34/81/12/488348112.db2.gz IWNNJQIBLLPEAD-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2CNC(=O)C2)cc[nH+]1 ZINC000679390078 488349306 /nfs/dbraw/zinc/34/93/06/488349306.db2.gz WTRXGSBEWZCIAV-MRVPVSSYSA-N 1 2 234.303 1.075 20 0 BDADLO COCc1nc(C[N@H+](C)CC(C)(C)OC)no1 ZINC000679536180 488357182 /nfs/dbraw/zinc/35/71/82/488357182.db2.gz DCMOMXTXUWKCHI-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO COCc1nc(C[N@@H+](C)CC(C)(C)OC)no1 ZINC000679536180 488357183 /nfs/dbraw/zinc/35/71/83/488357183.db2.gz DCMOMXTXUWKCHI-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO Cc1cc(CNC(=O)CCCn2cc[nH+]c2)on1 ZINC000623283608 490104011 /nfs/dbraw/zinc/10/40/11/490104011.db2.gz WCCHGGBFMVKYBL-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO C/C=C/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000491851044 490120793 /nfs/dbraw/zinc/12/07/93/490120793.db2.gz VMPZVPRFNSUPGJ-MQQKCMAXSA-N 1 2 217.272 1.399 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccc(N)c2)nn1 ZINC000234281607 490132909 /nfs/dbraw/zinc/13/29/09/490132909.db2.gz SSZOZMWLIYAGBH-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccc(N)c2)nn1 ZINC000234281607 490132912 /nfs/dbraw/zinc/13/29/12/490132912.db2.gz SSZOZMWLIYAGBH-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000493662084 490140413 /nfs/dbraw/zinc/14/04/13/490140413.db2.gz WPQPSEOOOORIMH-NUNSBDKSSA-N 1 2 237.278 1.820 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2cncc(C)n2)n1 ZINC000653888228 490154863 /nfs/dbraw/zinc/15/48/63/490154863.db2.gz JKZIWQUMLVHMIB-UHFFFAOYSA-N 1 2 247.302 1.151 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2cncc(C)n2)n1 ZINC000653888228 490154857 /nfs/dbraw/zinc/15/48/57/490154857.db2.gz JKZIWQUMLVHMIB-UHFFFAOYSA-N 1 2 247.302 1.151 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+](C)CCC(F)(F)F ZINC000653533722 490163700 /nfs/dbraw/zinc/16/37/00/490163700.db2.gz BYAKDIZAHJEGKB-SSDOTTSWSA-N 1 2 248.252 1.834 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+](C)CCC(F)(F)F ZINC000653533722 490163703 /nfs/dbraw/zinc/16/37/03/490163703.db2.gz BYAKDIZAHJEGKB-SSDOTTSWSA-N 1 2 248.252 1.834 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653533927 490163727 /nfs/dbraw/zinc/16/37/27/490163727.db2.gz OIDAJVAULDHSOM-VIFPVBQESA-N 1 2 223.324 1.270 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653533927 490163734 /nfs/dbraw/zinc/16/37/34/490163734.db2.gz OIDAJVAULDHSOM-VIFPVBQESA-N 1 2 223.324 1.270 20 0 BDADLO O[C@H]1CCC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000674747772 490253758 /nfs/dbraw/zinc/25/37/58/490253758.db2.gz OSZMFWHGBQCBOP-HZMBPMFUSA-N 1 2 243.310 1.625 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc(=O)c(O)co2)C[C@H]1F ZINC000679222814 490258825 /nfs/dbraw/zinc/25/88/25/490258825.db2.gz JLNNXLQQSOFBPW-WCBMZHEXSA-N 1 2 241.262 1.525 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)C[C@H]1F ZINC000679222814 490258829 /nfs/dbraw/zinc/25/88/29/490258829.db2.gz JLNNXLQQSOFBPW-WCBMZHEXSA-N 1 2 241.262 1.525 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc(=O)c(O)co2)C[C@@H]1F ZINC000679222822 490258860 /nfs/dbraw/zinc/25/88/60/490258860.db2.gz JLNNXLQQSOFBPW-WPRPVWTQSA-N 1 2 241.262 1.525 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)C[C@@H]1F ZINC000679222822 490258864 /nfs/dbraw/zinc/25/88/64/490258864.db2.gz JLNNXLQQSOFBPW-WPRPVWTQSA-N 1 2 241.262 1.525 20 0 BDADLO COCC[N@H+](Cc1ccco1)Cc1cncnc1 ZINC000124057551 490281423 /nfs/dbraw/zinc/28/14/23/490281423.db2.gz FJFDIFUPVDLWTP-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO COCC[N@@H+](Cc1ccco1)Cc1cncnc1 ZINC000124057551 490281427 /nfs/dbraw/zinc/28/14/27/490281427.db2.gz FJFDIFUPVDLWTP-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1(C(F)(F)F)CC1 ZINC000675037844 490300535 /nfs/dbraw/zinc/30/05/35/490300535.db2.gz OPOJUNVAZRDGDD-UHFFFAOYSA-N 1 2 247.220 1.484 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H]2C2CCCC2)[nH]1 ZINC000092617838 490359239 /nfs/dbraw/zinc/35/92/39/490359239.db2.gz GADLLBLHIWXZRP-SNVBAGLBSA-N 1 2 236.319 1.253 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H]2C2CCCC2)[nH]1 ZINC000092617838 490359236 /nfs/dbraw/zinc/35/92/36/490359236.db2.gz GADLLBLHIWXZRP-SNVBAGLBSA-N 1 2 236.319 1.253 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000130825189 490455081 /nfs/dbraw/zinc/45/50/81/490455081.db2.gz FEPXTJPWTQURGH-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO CCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000074727021 490500199 /nfs/dbraw/zinc/50/01/99/490500199.db2.gz MGBGRHKNHNQPSD-UHFFFAOYSA-N 1 2 209.293 1.649 20 0 BDADLO CCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000074727021 490500208 /nfs/dbraw/zinc/50/02/08/490500208.db2.gz MGBGRHKNHNQPSD-UHFFFAOYSA-N 1 2 209.293 1.649 20 0 BDADLO Cn1ccc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000668735151 490566459 /nfs/dbraw/zinc/56/64/59/490566459.db2.gz XRTQADYPTGIVSC-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1ccc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000668735151 490566463 /nfs/dbraw/zinc/56/64/63/490566463.db2.gz XRTQADYPTGIVSC-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO COc1cc[nH+]cc1Cn1nnc2c1CCCC2 ZINC000664141334 490570651 /nfs/dbraw/zinc/57/06/51/490570651.db2.gz QGNYEGVSHCBCKZ-UHFFFAOYSA-N 1 2 244.298 1.609 20 0 BDADLO Cc1nc(N2CCO[C@@H]([C@@H]3CCCO3)C2)cc[nH+]1 ZINC000128868037 490593568 /nfs/dbraw/zinc/59/35/68/490593568.db2.gz DVMSORSGEVECNX-NWDGAFQWSA-N 1 2 249.314 1.169 20 0 BDADLO CCc1cc(N2CC[C@H](C)[C@@H]2CO)nc(C)[nH+]1 ZINC000227172054 491055663 /nfs/dbraw/zinc/05/56/63/491055663.db2.gz NFPSDKYGRDGZCH-CABZTGNLSA-N 1 2 235.331 1.555 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1oncc1C)CC2 ZINC000364682783 491069699 /nfs/dbraw/zinc/06/96/99/491069699.db2.gz CQBRKVBBONJWMX-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO CC[C@H](NC(=O)c1ncccc1N)c1[nH]cc[nH+]1 ZINC000139495325 491111987 /nfs/dbraw/zinc/11/19/87/491111987.db2.gz GDBYZWGDEKNGJJ-VIFPVBQESA-N 1 2 245.286 1.268 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncnn2C)cc(C)n1 ZINC000639270987 491122814 /nfs/dbraw/zinc/12/28/14/491122814.db2.gz GLZFWWUHCUXDDO-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO O=C(c1ccncc1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785587 491124008 /nfs/dbraw/zinc/12/40/08/491124008.db2.gz MULVCUIPUJEICQ-UHFFFAOYSA-N 1 2 228.255 1.003 20 0 BDADLO O=C(c1ccncc1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785587 491124009 /nfs/dbraw/zinc/12/40/09/491124009.db2.gz MULVCUIPUJEICQ-UHFFFAOYSA-N 1 2 228.255 1.003 20 0 BDADLO CCc1cc(NCC[C@@H]2CCOC2)nc[nH+]1 ZINC000230102512 491127757 /nfs/dbraw/zinc/12/77/57/491127757.db2.gz LLEBETUYJSMDBP-SNVBAGLBSA-N 1 2 221.304 1.878 20 0 BDADLO CCc1cnc(CN[C@H]2CCC[N@H+](C)C2)s1 ZINC000230142199 491127821 /nfs/dbraw/zinc/12/78/21/491127821.db2.gz OJDLEVVCVORMKQ-JTQLQIEISA-N 1 2 239.388 1.889 20 0 BDADLO CCc1cnc(CN[C@H]2CCC[N@@H+](C)C2)s1 ZINC000230142199 491127822 /nfs/dbraw/zinc/12/78/22/491127822.db2.gz OJDLEVVCVORMKQ-JTQLQIEISA-N 1 2 239.388 1.889 20 0 BDADLO Cc1nc(N[C@@H](C)CCS(C)(=O)=O)cc[nH+]1 ZINC000132204953 491134777 /nfs/dbraw/zinc/13/47/77/491134777.db2.gz GAFKLXNEOSQVGN-QMMMGPOBSA-N 1 2 243.332 1.020 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000168295913 582534240 /nfs/dbraw/zinc/53/42/40/582534240.db2.gz HURQHWLGOWVBBK-UWVGGRQHSA-N 1 2 221.304 1.610 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492894189 533780615 /nfs/dbraw/zinc/78/06/15/533780615.db2.gz HDBGEASJJZJUTO-ADRPCIBZSA-N 1 2 233.315 1.975 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493287858 533784369 /nfs/dbraw/zinc/78/43/69/533784369.db2.gz MSPGSNSFJLZZGR-XCPMARJRSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ncnn1CC(F)F ZINC000488428137 533807032 /nfs/dbraw/zinc/80/70/32/533807032.db2.gz VMFDLPJHMSOREY-DTWKUNHWSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncnn1CC(F)F ZINC000488428137 533807040 /nfs/dbraw/zinc/80/70/40/533807040.db2.gz VMFDLPJHMSOREY-DTWKUNHWSA-N 1 2 244.289 1.774 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CNC(=O)O3)cc1 ZINC000496111311 533913790 /nfs/dbraw/zinc/91/37/90/533913790.db2.gz ZVWLCUZBKPVZGU-UHFFFAOYSA-N 1 2 232.283 1.289 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cscn2)c(=O)n1C ZINC000487153481 534073143 /nfs/dbraw/zinc/07/31/43/534073143.db2.gz JSJWPKBXNQPCQE-UHFFFAOYSA-N 1 2 249.339 1.440 20 0 BDADLO C[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493229735 534167350 /nfs/dbraw/zinc/16/73/50/534167350.db2.gz UMEDMEXBBRAQOX-OMMCCPJFSA-N 1 2 219.288 1.824 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ccc(OC)o1 ZINC000891779301 582719456 /nfs/dbraw/zinc/71/94/56/582719456.db2.gz YSXJUHQIRLVIHJ-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ccc(OC)o1 ZINC000891779301 582719458 /nfs/dbraw/zinc/71/94/58/582719458.db2.gz YSXJUHQIRLVIHJ-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000308946955 534231295 /nfs/dbraw/zinc/23/12/95/534231295.db2.gz NZTORQZRKANQJZ-BBBLOLIVSA-N 1 2 231.361 1.668 20 0 BDADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493465320 534237434 /nfs/dbraw/zinc/23/74/34/534237434.db2.gz XCRNZCGBMZCWED-XKFHPXPTSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@@]1(F)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492761443 534271335 /nfs/dbraw/zinc/27/13/35/534271335.db2.gz GBLVPLQRWZABKP-KXMPLOMGSA-N 1 2 223.251 1.383 20 0 BDADLO CC(=O)NCC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000408124119 534360147 /nfs/dbraw/zinc/36/01/47/534360147.db2.gz MXPOLCVTBQMJKO-UHFFFAOYSA-N 1 2 248.330 1.138 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000335744671 534374912 /nfs/dbraw/zinc/37/49/12/534374912.db2.gz PDKJFMUPMZHYIH-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nc(N2CCC[C@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488417044 534434338 /nfs/dbraw/zinc/43/43/38/534434338.db2.gz RIQOYBXNHOZCIY-VHSXEESVSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H](C)[C@H]2C)[nH+]1 ZINC000488417044 534434343 /nfs/dbraw/zinc/43/43/43/534434343.db2.gz RIQOYBXNHOZCIY-VHSXEESVSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(NC(=O)C=Cc2c[nH]c[nH+]2)cs1 ZINC000492905119 534452617 /nfs/dbraw/zinc/45/26/17/534452617.db2.gz YNQWHWODDXDKDY-NSCUHMNNSA-N 1 2 234.284 1.827 20 0 BDADLO Cc1cnc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492820080 534568690 /nfs/dbraw/zinc/56/86/90/534568690.db2.gz AIJWSMUXVNZKRM-NSCUHMNNSA-N 1 2 234.284 1.827 20 0 BDADLO Cc1occc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000496850334 534572793 /nfs/dbraw/zinc/57/27/93/534572793.db2.gz XCITXFLVTSYSGP-LLVKDONJSA-N 1 2 236.271 1.224 20 0 BDADLO Cc1occc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000496850334 534572800 /nfs/dbraw/zinc/57/28/00/534572800.db2.gz XCITXFLVTSYSGP-LLVKDONJSA-N 1 2 236.271 1.224 20 0 BDADLO OC1C[NH+](Cc2ccc3occc3c2)C1 ZINC000297480887 974952964 /nfs/dbraw/zinc/95/29/64/974952964.db2.gz SDZRMSNRFLPHPA-UHFFFAOYSA-N 1 2 203.241 1.609 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(CF)CCC1 ZINC000493752707 534786752 /nfs/dbraw/zinc/78/67/52/534786752.db2.gz KZUUIJMSVJIFLB-NSCUHMNNSA-N 1 2 223.251 1.431 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cncc(C)c2)[C@H](C)C1 ZINC000336171070 534797380 /nfs/dbraw/zinc/79/73/80/534797380.db2.gz BPJYSORUHTUWMN-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cncc(C)c2)[C@H](C)C1 ZINC000336171070 534797382 /nfs/dbraw/zinc/79/73/82/534797382.db2.gz BPJYSORUHTUWMN-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000494319292 534815182 /nfs/dbraw/zinc/81/51/82/534815182.db2.gz UPXVQROPLDZUPM-LBPRGKRZSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000494319292 534815190 /nfs/dbraw/zinc/81/51/90/534815190.db2.gz UPXVQROPLDZUPM-LBPRGKRZSA-N 1 2 247.298 1.108 20 0 BDADLO CC(C)C[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892415208 582882079 /nfs/dbraw/zinc/88/20/79/582882079.db2.gz DCDAFAAHEUMJQL-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)C[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892415208 582882082 /nfs/dbraw/zinc/88/20/82/582882082.db2.gz DCDAFAAHEUMJQL-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO O=C1OCC[C@H]2CN(c3cccc[nH+]3)CCN12 ZINC000494132434 534815563 /nfs/dbraw/zinc/81/55/63/534815563.db2.gz IYVKTSMENIKXKI-JTQLQIEISA-N 1 2 233.271 1.113 20 0 BDADLO CC(C)c1nc(N2CCO[C@H]3C[C@H]32)cc[nH+]1 ZINC000368047214 534909716 /nfs/dbraw/zinc/90/97/16/534909716.db2.gz SINIVSMSNCGKBX-ZJUUUORDSA-N 1 2 219.288 1.578 20 0 BDADLO C[N@H+](Cc1c(F)cccc1F)[C@H]1COC[C@H]1O ZINC000335931031 536454742 /nfs/dbraw/zinc/45/47/42/536454742.db2.gz BMOFPXYDAUWVAP-NWDGAFQWSA-N 1 2 243.253 1.156 20 0 BDADLO C[N@@H+](Cc1c(F)cccc1F)[C@H]1COC[C@H]1O ZINC000335931031 536454743 /nfs/dbraw/zinc/45/47/43/536454743.db2.gz BMOFPXYDAUWVAP-NWDGAFQWSA-N 1 2 243.253 1.156 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000260308019 536463099 /nfs/dbraw/zinc/46/30/99/536463099.db2.gz ZLUXSBNYORROAJ-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000260308019 536463102 /nfs/dbraw/zinc/46/31/02/536463102.db2.gz ZLUXSBNYORROAJ-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000087437070 536494576 /nfs/dbraw/zinc/49/45/76/536494576.db2.gz DTNVXCQMWXIOHM-QMMMGPOBSA-N 1 2 223.276 1.275 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492661393 527557377 /nfs/dbraw/zinc/55/73/77/527557377.db2.gz GXUHJOJPOSIBND-QZPNVGJNSA-N 1 2 247.342 1.916 20 0 BDADLO C/C=C/C=C\C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000493087192 527605000 /nfs/dbraw/zinc/60/50/00/527605000.db2.gz ATNWOAYGBHYBKO-RXMSJDEBSA-N 1 2 244.285 1.480 20 0 BDADLO C/C=C/C=C\C(=O)NCc1c[nH+]cn1C ZINC000493448332 527606072 /nfs/dbraw/zinc/60/60/72/527606072.db2.gz DWAIOPPUKSHGOM-ICWBMWKASA-N 1 2 205.261 1.169 20 0 BDADLO CC(C)CCC[NH+]1CC2(C1)CNC(=O)O2 ZINC000496552820 527703504 /nfs/dbraw/zinc/70/35/04/527703504.db2.gz SCANQNNUHNQAAI-UHFFFAOYSA-N 1 2 212.293 1.217 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493352517 527756245 /nfs/dbraw/zinc/75/62/45/527756245.db2.gz MVLBFGKOZXKFBR-NWALNABHSA-N 1 2 219.288 1.585 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493304585 527851545 /nfs/dbraw/zinc/85/15/45/527851545.db2.gz OUUTUSQZRPRSPN-ANNNZRCOSA-N 1 2 219.288 1.728 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493015920 527865271 /nfs/dbraw/zinc/86/52/71/527865271.db2.gz KVUPMARQQZVRCR-PFDYWKIBSA-N 1 2 249.314 1.210 20 0 BDADLO CCN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492896359 527965012 /nfs/dbraw/zinc/96/50/12/527965012.db2.gz IZOBFCCXKIKGSM-ARJAWSKDSA-N 1 2 247.220 1.834 20 0 BDADLO CCC[N@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000487873333 528155406 /nfs/dbraw/zinc/15/54/06/528155406.db2.gz PNUJZBCHBKWBEK-UHFFFAOYSA-N 1 2 244.289 1.918 20 0 BDADLO CCC[N@@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000487873333 528155411 /nfs/dbraw/zinc/15/54/11/528155411.db2.gz PNUJZBCHBKWBEK-UHFFFAOYSA-N 1 2 244.289 1.918 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904881 528388561 /nfs/dbraw/zinc/38/85/61/528388561.db2.gz YAEXDWKZMIPXFA-YEZKRMTDSA-N 1 2 221.304 1.831 20 0 BDADLO CCO/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000493156744 528477595 /nfs/dbraw/zinc/47/75/95/528477595.db2.gz NVHHQEUQLURMKV-BJMVGYQFSA-N 1 2 237.303 1.330 20 0 BDADLO CCC[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492830586 528528584 /nfs/dbraw/zinc/52/85/84/528528584.db2.gz CUZGFJRTYGDFMT-SCOBNMCVSA-N 1 2 249.314 1.498 20 0 BDADLO CCO/C=C\C(=O)NCc1c[nH+]c(C)cc1C ZINC000493498935 528529468 /nfs/dbraw/zinc/52/94/68/528529468.db2.gz QWBMITROJJQCDS-WAYWQWQTSA-N 1 2 234.299 1.865 20 0 BDADLO CC(C)N(C(=O)/C=C\c1[nH]cc[nH+]1)[C@@H]1CCOC1 ZINC000493234883 528765935 /nfs/dbraw/zinc/76/59/35/528765935.db2.gz FAEAISLYPVXRMY-DLRQAJBASA-N 1 2 249.314 1.449 20 0 BDADLO CC/C=C/CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493227555 528774804 /nfs/dbraw/zinc/77/48/04/528774804.db2.gz HLXUKKITQJLJOO-VNKDHWASSA-N 1 2 205.261 1.505 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000510126401 528785771 /nfs/dbraw/zinc/78/57/71/528785771.db2.gz COEQSBJEOAUZPS-AOOOYVTPSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000510126401 528785774 /nfs/dbraw/zinc/78/57/74/528785774.db2.gz COEQSBJEOAUZPS-AOOOYVTPSA-N 1 2 239.319 1.631 20 0 BDADLO CCC(CC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493452978 528788738 /nfs/dbraw/zinc/78/87/38/528788738.db2.gz MYHVHAFKIQFGAU-AATRIKPKSA-N 1 2 207.277 1.728 20 0 BDADLO CCCn1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492759978 528887090 /nfs/dbraw/zinc/88/70/90/528887090.db2.gz CRWZBPRSGCNYNG-ONEGZZNKSA-N 1 2 245.286 1.668 20 0 BDADLO CCN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000493683157 528911644 /nfs/dbraw/zinc/91/16/44/528911644.db2.gz FFIPCUHNPRFUGF-XOULXFPDSA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)CC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000488432510 529012927 /nfs/dbraw/zinc/01/29/27/529012927.db2.gz JBPWJPHBVRRDOQ-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO CC1(C)CC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000488432510 529012933 /nfs/dbraw/zinc/01/29/33/529012933.db2.gz JBPWJPHBVRRDOQ-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492855967 529060516 /nfs/dbraw/zinc/06/05/16/529060516.db2.gz ARVWMQQJZBZFFO-ARJAWSKDSA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@H]1O ZINC000492892155 529061001 /nfs/dbraw/zinc/06/10/01/529061001.db2.gz DZOQXEFTOHLPLM-DLRQAJBASA-N 1 2 249.314 1.042 20 0 BDADLO CCON(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492735374 529081631 /nfs/dbraw/zinc/08/16/31/529081631.db2.gz MESMCJBACYITGW-VOTSOKGWSA-N 1 2 223.276 1.326 20 0 BDADLO CC1(C)COCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493361154 529130833 /nfs/dbraw/zinc/13/08/33/529130833.db2.gz WRYWLDVNFGKKQB-ARJAWSKDSA-N 1 2 235.287 1.060 20 0 BDADLO CCSCC[NH+]1CC(OC(=O)NC(C)C)C1 ZINC000496475978 529179588 /nfs/dbraw/zinc/17/95/88/529179588.db2.gz UHRBCPFULVKBGQ-UHFFFAOYSA-N 1 2 246.376 1.558 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cccnc1 ZINC000495192820 529192224 /nfs/dbraw/zinc/19/22/24/529192224.db2.gz JBVKIATXWIQKCS-ZDUSSCGKSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccnc1 ZINC000495192820 529192226 /nfs/dbraw/zinc/19/22/26/529192226.db2.gz JBVKIATXWIQKCS-ZDUSSCGKSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493551606 529259475 /nfs/dbraw/zinc/25/94/75/529259475.db2.gz JWEXQPRAVKIOAE-FSIBCCDJSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCCO1 ZINC000493077538 529346901 /nfs/dbraw/zinc/34/69/01/529346901.db2.gz ZCLYKPLKGPMGNJ-SGUJLRQBSA-N 1 2 249.314 1.450 20 0 BDADLO CCCC[C@H](COC)[NH2+][C@H](C)C(=O)OC ZINC000193107156 535042614 /nfs/dbraw/zinc/04/26/14/535042614.db2.gz YYUNFIJGWYTRSF-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCOCC1 ZINC000258120442 535103568 /nfs/dbraw/zinc/10/35/68/535103568.db2.gz JOHBUYAYIBFDHT-UHFFFAOYSA-N 1 2 209.293 1.296 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185814258 535270594 /nfs/dbraw/zinc/27/05/94/535270594.db2.gz YSNSYROJRFRDOF-NXEZZACHSA-N 1 2 221.304 1.361 20 0 BDADLO CCC1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCC1 ZINC000263049401 535292353 /nfs/dbraw/zinc/29/23/53/535292353.db2.gz UKDKOBHIVLTZPV-SECBINFHSA-N 1 2 246.301 1.680 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C[C@@H]2CCOC2)no1 ZINC000178344891 535378937 /nfs/dbraw/zinc/37/89/37/535378937.db2.gz VMUXANVSNCAPLV-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C[C@@H]2CCOC2)no1 ZINC000178344891 535378938 /nfs/dbraw/zinc/37/89/38/535378938.db2.gz VMUXANVSNCAPLV-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@H](C)C2 ZINC000352272872 535443214 /nfs/dbraw/zinc/44/32/14/535443214.db2.gz GNBMNTLXGGMYFJ-CKYFFXLPSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@H](C)C2 ZINC000352272872 535443219 /nfs/dbraw/zinc/44/32/19/535443219.db2.gz GNBMNTLXGGMYFJ-CKYFFXLPSA-N 1 2 210.321 1.591 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000250661614 535619011 /nfs/dbraw/zinc/61/90/11/535619011.db2.gz FPMHFIXRVCCQQG-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000250661614 535619015 /nfs/dbraw/zinc/61/90/15/535619015.db2.gz FPMHFIXRVCCQQG-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cccn1C)C(C)C ZINC000179425371 535671752 /nfs/dbraw/zinc/67/17/52/535671752.db2.gz UEXIDYVQFAGTDO-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cccn1C)C(C)C ZINC000179425371 535671757 /nfs/dbraw/zinc/67/17/57/535671757.db2.gz UEXIDYVQFAGTDO-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H](C)O1 ZINC000348240581 535869297 /nfs/dbraw/zinc/86/92/97/535869297.db2.gz DKEOMQXOGBKVRN-CKYFFXLPSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H](C)O1 ZINC000348240581 535869303 /nfs/dbraw/zinc/86/93/03/535869303.db2.gz DKEOMQXOGBKVRN-CKYFFXLPSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183749651 535929888 /nfs/dbraw/zinc/92/98/88/535929888.db2.gz BVFWPCCLCVNXCU-UWVGGRQHSA-N 1 2 223.320 1.751 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170301 536045170 /nfs/dbraw/zinc/04/51/70/536045170.db2.gz FQLLOAGZUOFIOI-ONGXEEELSA-N 1 2 246.301 1.632 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CO[C@H](C)C1 ZINC000336162192 536086363 /nfs/dbraw/zinc/08/63/63/536086363.db2.gz CINKACOWECBBFX-MWLCHTKSSA-N 1 2 234.299 1.429 20 0 BDADLO CCc1cc(N2CCOC[C@@H]2CC)nc(C)[nH+]1 ZINC000302038089 536146692 /nfs/dbraw/zinc/14/66/92/536146692.db2.gz GLWSEWZHGOSMMR-LBPRGKRZSA-N 1 2 235.331 1.963 20 0 BDADLO CCc1cc(N2CCO[C@H](C)[C@H]2C)nc(C)[nH+]1 ZINC000272917028 536147997 /nfs/dbraw/zinc/14/79/97/536147997.db2.gz SNKILJYTEKANOQ-NXEZZACHSA-N 1 2 235.331 1.961 20 0 BDADLO COC(=O)CN(Cc1[nH+]cc(C)n1C)C(C)C ZINC000342790899 536467655 /nfs/dbraw/zinc/46/76/55/536467655.db2.gz NFUBLSOEDOLRKY-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000335731721 536472361 /nfs/dbraw/zinc/47/23/61/536472361.db2.gz AKMBMJPVYGDQCN-APPZFPTMSA-N 1 2 219.231 1.137 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000335731721 536472364 /nfs/dbraw/zinc/47/23/64/536472364.db2.gz AKMBMJPVYGDQCN-APPZFPTMSA-N 1 2 219.231 1.137 20 0 BDADLO COC1(C)CN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000336133606 536592082 /nfs/dbraw/zinc/59/20/82/536592082.db2.gz ZIYTYEHDKCVQBA-UHFFFAOYSA-N 1 2 249.289 1.938 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000250913370 536638728 /nfs/dbraw/zinc/63/87/28/536638728.db2.gz WFDFENGQCWUWEQ-LNFKQOIKSA-N 1 2 241.331 1.341 20 0 BDADLO COCC(C)(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000170954191 536793978 /nfs/dbraw/zinc/79/39/78/536793978.db2.gz ZTBJIWOWNCDVPW-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO COC(=O)c1cnoc1C[NH+]1CCCCC1 ZINC000351836486 536839729 /nfs/dbraw/zinc/83/97/29/536839729.db2.gz QZEDWTPJVWSEJN-UHFFFAOYSA-N 1 2 224.260 1.447 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000342461156 536884733 /nfs/dbraw/zinc/88/47/33/536884733.db2.gz VFYCCGSRZOCTBC-SFYZADRCSA-N 1 2 234.303 1.524 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ncncc1Cl ZINC000344933039 538109771 /nfs/dbraw/zinc/10/97/71/538109771.db2.gz DTEYEMOMQNNMCQ-UHFFFAOYSA-N 1 2 223.667 1.490 20 0 BDADLO C[NH+]1CC(Oc2ccc3ncsc3c2)C1 ZINC001226636847 974984817 /nfs/dbraw/zinc/98/48/17/974984817.db2.gz GDSNJVRXLIQGBB-UHFFFAOYSA-N 1 2 220.297 1.989 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ncc[nH]1 ZINC000334469128 566397614 /nfs/dbraw/zinc/39/76/14/566397614.db2.gz YXJRYVDNCBOKCU-WCBMZHEXSA-N 1 2 231.303 1.341 20 0 BDADLO Cc1noc(C)c1NC(=O)NCc1c[nH+]cn1C ZINC000350010947 566443951 /nfs/dbraw/zinc/44/39/51/566443951.db2.gz XCNZZJPMJHQVCJ-UHFFFAOYSA-N 1 2 249.274 1.347 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cc(N(C)C)nc[nH+]1 ZINC000893128857 583053850 /nfs/dbraw/zinc/05/38/50/583053850.db2.gz ZEZGZOBGUJBNJG-BDAKNGLRSA-N 1 2 224.308 1.114 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cc(N(C)C)[nH+]cn1 ZINC000893128857 583053852 /nfs/dbraw/zinc/05/38/52/583053852.db2.gz ZEZGZOBGUJBNJG-BDAKNGLRSA-N 1 2 224.308 1.114 20 0 BDADLO CO[C@H](C)CN(C)c1nccn2c[nH+]cc12 ZINC000893849712 583232923 /nfs/dbraw/zinc/23/29/23/583232923.db2.gz YHVLXOYESOXMGT-SECBINFHSA-N 1 2 220.276 1.200 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1[nH]nc(C)c1C ZINC000893995953 583267440 /nfs/dbraw/zinc/26/74/40/583267440.db2.gz WUYCHQVPQIMGQF-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1[nH]nc(C)c1C ZINC000893995953 583267441 /nfs/dbraw/zinc/26/74/41/583267441.db2.gz WUYCHQVPQIMGQF-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@@H](Nc1cc(N(C)C)[nH+]cn1)[C@H](C)O ZINC000894076831 583297313 /nfs/dbraw/zinc/29/73/13/583297313.db2.gz PNDFVGUOTDJVBB-DTWKUNHWSA-N 1 2 224.308 1.114 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000245610196 583302302 /nfs/dbraw/zinc/30/23/02/583302302.db2.gz AVBIQGQHTAGTJX-GHMZBOCLSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000245610196 583302306 /nfs/dbraw/zinc/30/23/06/583302306.db2.gz AVBIQGQHTAGTJX-GHMZBOCLSA-N 1 2 237.347 1.592 20 0 BDADLO Cc1cc(N)nc(SCCOC(F)F)[nH+]1 ZINC000853015657 588715749 /nfs/dbraw/zinc/71/57/49/588715749.db2.gz UUSDCVQEVDKHFV-UHFFFAOYSA-N 1 2 235.259 1.699 20 0 BDADLO CC(C)NC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853044593 588717459 /nfs/dbraw/zinc/71/74/59/588717459.db2.gz LFCSLDUHZPZDSQ-MRVPVSSYSA-N 1 2 226.349 1.354 20 0 BDADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)c1ccccn1 ZINC000853105916 588720716 /nfs/dbraw/zinc/72/07/16/588720716.db2.gz NOTSLZYHMOXVRG-QWRGUYRKSA-N 1 2 242.269 1.892 20 0 BDADLO CN(C)c1[nH+]cccc1CNc1cc(F)ncn1 ZINC000853161763 588722974 /nfs/dbraw/zinc/72/29/74/588722974.db2.gz ZZHYOEPSAYTPHS-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@H](C(C)C)C2)c(=O)o1 ZINC000853501857 588746217 /nfs/dbraw/zinc/74/62/17/588746217.db2.gz LRIJDIYJVIUATA-JTQLQIEISA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@H](C(C)C)C2)c(=O)o1 ZINC000853501857 588746218 /nfs/dbraw/zinc/74/62/18/588746218.db2.gz LRIJDIYJVIUATA-JTQLQIEISA-N 1 2 225.292 1.080 20 0 BDADLO CC[C@@H](C)C[N@H+](CC)Cn1nc(C)oc1=O ZINC000853501732 588746235 /nfs/dbraw/zinc/74/62/35/588746235.db2.gz XOFSNFAWPBEXMZ-SECBINFHSA-N 1 2 227.308 1.470 20 0 BDADLO CC[C@@H](C)C[N@@H+](CC)Cn1nc(C)oc1=O ZINC000853501732 588746236 /nfs/dbraw/zinc/74/62/36/588746236.db2.gz XOFSNFAWPBEXMZ-SECBINFHSA-N 1 2 227.308 1.470 20 0 BDADLO CCC[NH+](CCC)Cn1nc(C)oc1=O ZINC000853489478 588745498 /nfs/dbraw/zinc/74/54/98/588745498.db2.gz DJMJFCOMEULMEY-UHFFFAOYSA-N 1 2 213.281 1.224 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c(=O)o1 ZINC000853489932 588745727 /nfs/dbraw/zinc/74/57/27/588745727.db2.gz XMTAAEGMYFSUEI-GXSJLCMTSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c(=O)o1 ZINC000853489932 588745728 /nfs/dbraw/zinc/74/57/28/588745728.db2.gz XMTAAEGMYFSUEI-GXSJLCMTSA-N 1 2 239.319 1.613 20 0 BDADLO CC[C@H](C)C[N@H+](C)Cn1nc(C)oc1=O ZINC000853494616 588745761 /nfs/dbraw/zinc/74/57/61/588745761.db2.gz NFTQERVSGHCWAN-QMMMGPOBSA-N 1 2 213.281 1.080 20 0 BDADLO CC[C@H](C)C[N@@H+](C)Cn1nc(C)oc1=O ZINC000853494616 588745762 /nfs/dbraw/zinc/74/57/62/588745762.db2.gz NFTQERVSGHCWAN-QMMMGPOBSA-N 1 2 213.281 1.080 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@H](C3CCC3)C2)c(=O)o1 ZINC000853514638 588747114 /nfs/dbraw/zinc/74/71/14/588747114.db2.gz FZYRDYQSVJYYBF-NSHDSACASA-N 1 2 237.303 1.224 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@H](C3CCC3)C2)c(=O)o1 ZINC000853514638 588747115 /nfs/dbraw/zinc/74/71/15/588747115.db2.gz FZYRDYQSVJYYBF-NSHDSACASA-N 1 2 237.303 1.224 20 0 BDADLO O=C1CCCN1C[NH+]1CCC(c2ccon2)CC1 ZINC000853592423 588749822 /nfs/dbraw/zinc/74/98/22/588749822.db2.gz RFAYKXQMHQKLFQ-UHFFFAOYSA-N 1 2 249.314 1.434 20 0 BDADLO Cc1nn(C[N@@H+]2CCC3(CCCC3)C2)c(=O)o1 ZINC000853501035 588746384 /nfs/dbraw/zinc/74/63/84/588746384.db2.gz XZUARCULEONTFO-UHFFFAOYSA-N 1 2 237.303 1.368 20 0 BDADLO Cc1nn(C[N@H+]2CCC3(CCCC3)C2)c(=O)o1 ZINC000853501035 588746385 /nfs/dbraw/zinc/74/63/85/588746385.db2.gz XZUARCULEONTFO-UHFFFAOYSA-N 1 2 237.303 1.368 20 0 BDADLO CC1=NO[C@H](CNc2cc(C)[nH+]cn2)C1 ZINC000853661257 588753658 /nfs/dbraw/zinc/75/36/58/588753658.db2.gz RVHXVPHDUGGMKO-VIFPVBQESA-N 1 2 206.249 1.362 20 0 BDADLO Cc1ccc[nH+]c1CCNc1cnc(F)cn1 ZINC000853662272 588753895 /nfs/dbraw/zinc/75/38/95/588753895.db2.gz IFQHOHOSINKZJQ-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Cc1ccc(CCNc2cnc(F)cn2)[nH+]c1 ZINC000853679384 588755394 /nfs/dbraw/zinc/75/53/94/588755394.db2.gz WWCWSKBFSGMNNK-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO NC(=[NH+]OCCC1CCC1)[C@@H]1CCCO1 ZINC000853698167 588757619 /nfs/dbraw/zinc/75/76/19/588757619.db2.gz OEGJBVDAZNIRLA-JTQLQIEISA-N 1 2 212.293 1.854 20 0 BDADLO CN(C)c1cc(Cn2cc(C3CC3)nn2)cc[nH+]1 ZINC000853738474 588760638 /nfs/dbraw/zinc/76/06/38/588760638.db2.gz TYMGAIXYQPZMTM-UHFFFAOYSA-N 1 2 243.314 1.665 20 0 BDADLO CSc1cnc(N(C)Cc2c[nH+]c[nH]2)nc1 ZINC000853743728 588760969 /nfs/dbraw/zinc/76/09/69/588760969.db2.gz VFYSFXSTBILYID-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO CSc1cnc(N(C)Cc2c[nH]c[nH+]2)nc1 ZINC000853743728 588760970 /nfs/dbraw/zinc/76/09/70/588760970.db2.gz VFYSFXSTBILYID-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO COc1ccc(N[C@@H]2C[C@H](C)n3ncnc32)[nH+]c1 ZINC000853771196 588762497 /nfs/dbraw/zinc/76/24/97/588762497.db2.gz WDJWYHNZUXIYNF-WCBMZHEXSA-N 1 2 245.286 1.800 20 0 BDADLO CC1(C)C[N@H+](CC2OCCO2)[C@H]1c1cccnc1 ZINC000854041540 588772520 /nfs/dbraw/zinc/77/25/20/588772520.db2.gz NYBQCAMLWBSHMV-ZDUSSCGKSA-N 1 2 248.326 1.837 20 0 BDADLO CC1(C)C[N@@H+](CC2OCCO2)[C@H]1c1cccnc1 ZINC000854041540 588772521 /nfs/dbraw/zinc/77/25/21/588772521.db2.gz NYBQCAMLWBSHMV-ZDUSSCGKSA-N 1 2 248.326 1.837 20 0 BDADLO Cc1cc(C[N@H+]2CCCc3n[nH]cc3C2)no1 ZINC000854054147 588772782 /nfs/dbraw/zinc/77/27/82/588772782.db2.gz JJVWTUTXLZVJIU-UHFFFAOYSA-N 1 2 232.287 1.655 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(C(C)C)no1 ZINC000854135182 588776413 /nfs/dbraw/zinc/77/64/13/588776413.db2.gz WVDRVQPJCODQFC-QMMMGPOBSA-N 1 2 213.281 1.618 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854455031 588787319 /nfs/dbraw/zinc/78/73/19/588787319.db2.gz DHFWXDBLHCCVSF-BXKDBHETSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854455031 588787320 /nfs/dbraw/zinc/78/73/20/588787320.db2.gz DHFWXDBLHCCVSF-BXKDBHETSA-N 1 2 247.342 1.819 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C(F)F)CCCC1 ZINC000854491349 588789534 /nfs/dbraw/zinc/78/95/34/588789534.db2.gz HPKVEKSOSXSGSQ-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO CC(C)[C@H]1N(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000854637515 588798775 /nfs/dbraw/zinc/79/87/75/588798775.db2.gz FKWDTMRJHYMQQT-GFCCVEGCSA-N 1 2 235.331 1.845 20 0 BDADLO CCC(F)(F)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000854664130 588800036 /nfs/dbraw/zinc/80/00/36/588800036.db2.gz NKQRFHONVVMTKT-DTORHVGOSA-N 1 2 234.290 1.583 20 0 BDADLO CCC(F)(F)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000854664130 588800037 /nfs/dbraw/zinc/80/00/37/588800037.db2.gz NKQRFHONVVMTKT-DTORHVGOSA-N 1 2 234.290 1.583 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(CC2)C1 ZINC000854685290 588801084 /nfs/dbraw/zinc/80/10/84/588801084.db2.gz FPWZHPKICMGUMC-SNVBAGLBSA-N 1 2 231.299 1.068 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854684559 588801198 /nfs/dbraw/zinc/80/11/98/588801198.db2.gz BNRYKADWWJMCFA-IWSPIJDZSA-N 1 2 205.261 1.100 20 0 BDADLO CC[C@H]1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854751167 588805234 /nfs/dbraw/zinc/80/52/34/588805234.db2.gz ZFLQAHAOTPMOFN-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000854828000 588812331 /nfs/dbraw/zinc/81/23/31/588812331.db2.gz FSCSSADYJBLOEL-RISCZKNCSA-N 1 2 245.326 1.599 20 0 BDADLO CO[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CC(C)C ZINC000854952950 588818507 /nfs/dbraw/zinc/81/85/07/588818507.db2.gz QLAQFGOFOMZBCE-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO C[C@@H]1C[C@@H]1c1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000855002117 588820046 /nfs/dbraw/zinc/82/00/46/588820046.db2.gz OQAZAZBCCHKVSX-SFYZADRCSA-N 1 2 245.286 1.437 20 0 BDADLO Cc1[nH]c(C=O)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855137139 588823315 /nfs/dbraw/zinc/82/33/15/588823315.db2.gz YLRODNCTPGZGER-UHFFFAOYSA-N 1 2 246.270 1.131 20 0 BDADLO Cc1[nH]c(C=O)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855137139 588823316 /nfs/dbraw/zinc/82/33/16/588823316.db2.gz YLRODNCTPGZGER-UHFFFAOYSA-N 1 2 246.270 1.131 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000812622642 582558132 /nfs/dbraw/zinc/55/81/32/582558132.db2.gz AWTRKULXDCIWGF-QWRGUYRKSA-N 1 2 240.303 1.345 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153729811 582579453 /nfs/dbraw/zinc/57/94/53/582579453.db2.gz DFIBFICNHCPBIK-SNVBAGLBSA-N 1 2 231.299 1.280 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000891197899 582624311 /nfs/dbraw/zinc/62/43/11/582624311.db2.gz QLLMHPAKIXIMTH-XLNBVVSQSA-N 1 2 225.679 1.382 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000891197899 582624314 /nfs/dbraw/zinc/62/43/14/582624314.db2.gz QLLMHPAKIXIMTH-XLNBVVSQSA-N 1 2 225.679 1.382 20 0 BDADLO CCc1cc(C(=O)N[C@H]2CCn3cc[nH+]c32)no1 ZINC000891257797 582642389 /nfs/dbraw/zinc/64/23/89/582642389.db2.gz UWWZBHQMQUEFMK-VIFPVBQESA-N 1 2 246.270 1.308 20 0 BDADLO COc1cccc2c[nH+]c(NCCO)cc21 ZINC000891401036 582677973 /nfs/dbraw/zinc/67/79/73/582677973.db2.gz DXGUKABIGMIQNW-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO CCOc1ccc(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000891487108 582692067 /nfs/dbraw/zinc/69/20/67/582692067.db2.gz SCBFNZXKTXGKKW-UHFFFAOYSA-N 1 2 240.303 1.374 20 0 BDADLO CCOc1ccc(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000891487108 582692070 /nfs/dbraw/zinc/69/20/70/582692070.db2.gz SCBFNZXKTXGKKW-UHFFFAOYSA-N 1 2 240.303 1.374 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)cnc1F ZINC000891494336 582693494 /nfs/dbraw/zinc/69/34/94/582693494.db2.gz CXBKYIAVIRJLTA-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)cnc1F ZINC000891494336 582693496 /nfs/dbraw/zinc/69/34/96/582693496.db2.gz CXBKYIAVIRJLTA-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO COCC[N@H+](C)Cc1ccnc(OC)c1F ZINC000891574937 582697885 /nfs/dbraw/zinc/69/78/85/582697885.db2.gz UMDZMCZGZPXGIK-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO COCC[N@@H+](C)Cc1ccnc(OC)c1F ZINC000891574937 582697887 /nfs/dbraw/zinc/69/78/87/582697887.db2.gz UMDZMCZGZPXGIK-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO Cc1cc(N[C@H](C)CO)nc(C2CCC2)[nH+]1 ZINC000891685344 582709778 /nfs/dbraw/zinc/70/97/78/582709778.db2.gz XTLPFCVUDHHNHN-SECBINFHSA-N 1 2 221.304 1.845 20 0 BDADLO CCc1cc(NCCn2cncn2)nc(CC)[nH+]1 ZINC000891769718 582718520 /nfs/dbraw/zinc/71/85/20/582718520.db2.gz CLWYFXDPQOTNLP-UHFFFAOYSA-N 1 2 246.318 1.305 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cccc([C@H](C)O)n1 ZINC000891783214 582720191 /nfs/dbraw/zinc/72/01/91/582720191.db2.gz ASSAQSJPHLTHRX-MNOVXSKESA-N 1 2 246.314 1.832 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000891781664 582720337 /nfs/dbraw/zinc/72/03/37/582720337.db2.gz LCPLAZRMEZCSCD-UHFFFAOYSA-N 1 2 225.288 1.899 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC2(C)C)o1 ZINC000891781664 582720341 /nfs/dbraw/zinc/72/03/41/582720341.db2.gz LCPLAZRMEZCSCD-UHFFFAOYSA-N 1 2 225.288 1.899 20 0 BDADLO C[C@@H](Cn1cccn1)Nc1cc(N(C)C)nc[nH+]1 ZINC000891795814 582723066 /nfs/dbraw/zinc/72/30/66/582723066.db2.gz WMRVEHWCBATMDZ-JTQLQIEISA-N 1 2 246.318 1.240 20 0 BDADLO C[C@@H](Cn1cccn1)Nc1cc(N(C)C)[nH+]cn1 ZINC000891795814 582723070 /nfs/dbraw/zinc/72/30/70/582723070.db2.gz WMRVEHWCBATMDZ-JTQLQIEISA-N 1 2 246.318 1.240 20 0 BDADLO Cc1cnnc(NCc2ccc[nH+]c2N(C)C)c1 ZINC000891815981 582725563 /nfs/dbraw/zinc/72/55/63/582725563.db2.gz ZPTMVCSIIWDUDE-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CCc1cc(N(C)CCOC)nc(CC)[nH+]1 ZINC000891940215 582741694 /nfs/dbraw/zinc/74/16/94/582741694.db2.gz FOVAUXOPVFOABT-UHFFFAOYSA-N 1 2 223.320 1.684 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cc[nH]n2)c(C2CC2)n1 ZINC000892011524 582760682 /nfs/dbraw/zinc/76/06/82/582760682.db2.gz AOVVQZLYMXRGHT-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cc[nH]n2)c(C2CC2)n1 ZINC000892011524 582760683 /nfs/dbraw/zinc/76/06/83/582760683.db2.gz AOVVQZLYMXRGHT-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n(C2CCC2)n1 ZINC000892052219 582775592 /nfs/dbraw/zinc/77/55/92/582775592.db2.gz HVQBTCRWZRKOEU-OKILXGFUSA-N 1 2 247.342 1.971 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n(C2CCC2)n1 ZINC000892052219 582775595 /nfs/dbraw/zinc/77/55/95/582775595.db2.gz HVQBTCRWZRKOEU-OKILXGFUSA-N 1 2 247.342 1.971 20 0 BDADLO c1cn(C2CC2)c(CN2CCOC[C@H]2C2CC2)[nH+]1 ZINC000892110926 582793421 /nfs/dbraw/zinc/79/34/21/582793421.db2.gz SRROTWVDNLDPQP-ZDUSSCGKSA-N 1 2 247.342 1.829 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)CCCO1 ZINC000892295311 582829697 /nfs/dbraw/zinc/82/96/97/582829697.db2.gz JTALARFELQCMNK-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)CCCO1 ZINC000892295311 582829698 /nfs/dbraw/zinc/82/96/98/582829698.db2.gz JTALARFELQCMNK-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO C[C@H]1CN(c2nccn3c[nH+]cc23)CCCO1 ZINC000892296912 582830455 /nfs/dbraw/zinc/83/04/55/582830455.db2.gz YMWRGTMDVPLIRR-JTQLQIEISA-N 1 2 232.287 1.345 20 0 BDADLO C[C@@H](O)c1cccc(NCCC[S@@](C)=O)[nH+]1 ZINC000892449820 582889488 /nfs/dbraw/zinc/88/94/88/582889488.db2.gz ZURUZIPZGNJUGJ-JDNHERCYSA-N 1 2 242.344 1.315 20 0 BDADLO CCC[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892503173 582899978 /nfs/dbraw/zinc/89/99/78/582899978.db2.gz YFSKMBPENSGVKQ-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CCC[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892503173 582899981 /nfs/dbraw/zinc/89/99/81/582899981.db2.gz YFSKMBPENSGVKQ-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO COC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892513028 582903262 /nfs/dbraw/zinc/90/32/62/582903262.db2.gz YIRBXRIOZJMBEA-LLVKDONJSA-N 1 2 246.314 1.592 20 0 BDADLO C[C@H](O)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000892541034 582909110 /nfs/dbraw/zinc/90/91/10/582909110.db2.gz WOOPWHXOZNGLIO-IUCAKERBSA-N 1 2 210.277 1.318 20 0 BDADLO CCC/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856276907 588866531 /nfs/dbraw/zinc/86/65/31/588866531.db2.gz UAQRBLSSHWBAQI-GFVADAIESA-N 1 2 221.304 1.954 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856281256 588866854 /nfs/dbraw/zinc/86/68/54/588866854.db2.gz NGDPQFXCBGDFBZ-UMYFRRCYSA-N 1 2 221.304 1.954 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)F)c1[nH+]ccn1C ZINC000856281502 588866943 /nfs/dbraw/zinc/86/69/43/588866943.db2.gz PMQLORMWRFVWMP-SSDOTTSWSA-N 1 2 213.256 1.345 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000856351745 588870091 /nfs/dbraw/zinc/87/00/91/588870091.db2.gz MLYNMTYDSXVUTN-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000892955211 583020480 /nfs/dbraw/zinc/02/04/80/583020480.db2.gz GWTFYOHOTZHYPY-MNOVXSKESA-N 1 2 246.314 1.469 20 0 BDADLO C[C@H]1COCCN(c2nccn3c[nH+]cc23)C1 ZINC000892972308 583023234 /nfs/dbraw/zinc/02/32/34/583023234.db2.gz IYVKVQBPTFNTQC-SNVBAGLBSA-N 1 2 232.287 1.202 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@H]1CCCO1 ZINC000745078033 583023453 /nfs/dbraw/zinc/02/34/53/583023453.db2.gz ACBYRUZTDKXSKE-GHMZBOCLSA-N 1 2 227.304 1.193 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@H]1CCCO1 ZINC000745078033 583023454 /nfs/dbraw/zinc/02/34/54/583023454.db2.gz ACBYRUZTDKXSKE-GHMZBOCLSA-N 1 2 227.304 1.193 20 0 BDADLO COC[C@@H](CNc1cccc([C@@H](C)O)[nH+]1)OC ZINC000893117653 583051717 /nfs/dbraw/zinc/05/17/17/583051717.db2.gz XLCICBKFYBAIIA-NXEZZACHSA-N 1 2 240.303 1.208 20 0 BDADLO CN(C)c1cc(NCC[C@H]2CCOC2)[nH+]cn1 ZINC000893145175 583057082 /nfs/dbraw/zinc/05/70/82/583057082.db2.gz XFIQFLJPWUDCIY-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NCC[C@H]2CCOC2)nc[nH+]1 ZINC000893145175 583057083 /nfs/dbraw/zinc/05/70/83/583057083.db2.gz XFIQFLJPWUDCIY-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NCC2(CO)CCC2)[nH+]cn1 ZINC000893152601 583058046 /nfs/dbraw/zinc/05/80/46/583058046.db2.gz WLNNPTSNMSZHMY-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CN(C)c1cc(NCC2(CO)CCC2)nc[nH+]1 ZINC000893152601 583058047 /nfs/dbraw/zinc/05/80/47/583058047.db2.gz WLNNPTSNMSZHMY-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc[nH]2)c(C)o1 ZINC000114504849 588874922 /nfs/dbraw/zinc/87/49/22/588874922.db2.gz WSCVMTFZCJVQLE-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO C[C@H](O)c1cccc(N(C)C2CC(O)C2)[nH+]1 ZINC000893169268 583063083 /nfs/dbraw/zinc/06/30/83/583063083.db2.gz YSAIBEQQUNDNSE-IDKOKCKLSA-N 1 2 222.288 1.094 20 0 BDADLO C[C@H](O)c1cccc(NCCc2ccnn2C)[nH+]1 ZINC000893186786 583067478 /nfs/dbraw/zinc/06/74/78/583067478.db2.gz FGDPJOPMJICUPN-JTQLQIEISA-N 1 2 246.314 1.523 20 0 BDADLO CNc1cc(NCCOCC2CCC2)[nH+]cn1 ZINC000893194772 583068537 /nfs/dbraw/zinc/06/85/37/583068537.db2.gz LNKXBNSHGCYUPV-UHFFFAOYSA-N 1 2 236.319 1.747 20 0 BDADLO CCc1cc(NCC(F)(F)CO)nc(CC)[nH+]1 ZINC000893213323 583072635 /nfs/dbraw/zinc/07/26/35/583072635.db2.gz BZRNZFTUHKTAJC-UHFFFAOYSA-N 1 2 245.273 1.641 20 0 BDADLO CN(C)c1cc(N2CCCC3(CC3)C2)nc[nH+]1 ZINC000893238513 583076098 /nfs/dbraw/zinc/07/60/98/583076098.db2.gz NBYCZSMDQCFIPU-UHFFFAOYSA-N 1 2 232.331 1.923 20 0 BDADLO CN(C)c1cc(N2CCCC3(CC3)C2)[nH+]cn1 ZINC000893238513 583076099 /nfs/dbraw/zinc/07/60/99/583076099.db2.gz NBYCZSMDQCFIPU-UHFFFAOYSA-N 1 2 232.331 1.923 20 0 BDADLO COCC1=CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893251967 583078641 /nfs/dbraw/zinc/07/86/41/583078641.db2.gz VEDPSLVCPNSLGF-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1c(NCc2[nH+]ccn2C2CC2)cnn1C ZINC000893292595 583090135 /nfs/dbraw/zinc/09/01/35/583090135.db2.gz RHHIHDNJZGENNY-UHFFFAOYSA-N 1 2 231.303 1.872 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOCC1CCC1 ZINC000856344465 588868358 /nfs/dbraw/zinc/86/83/58/588868358.db2.gz PFVHIULJQXZVOO-SECBINFHSA-N 1 2 237.303 1.436 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOCC1CCC1 ZINC000856344465 588868359 /nfs/dbraw/zinc/86/83/59/588868359.db2.gz PFVHIULJQXZVOO-SECBINFHSA-N 1 2 237.303 1.436 20 0 BDADLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cnccn2)[nH]1 ZINC000856775181 588876999 /nfs/dbraw/zinc/87/69/99/588876999.db2.gz GSKIAARGMWNZSQ-SECBINFHSA-N 1 2 246.318 1.569 20 0 BDADLO c1cnc(C[NH2+]Cc2noc3c2CCCC3)cn1 ZINC000856788924 588877922 /nfs/dbraw/zinc/87/79/22/588877922.db2.gz XEWHEDBDDZQTOM-UHFFFAOYSA-N 1 2 244.298 1.633 20 0 BDADLO CSCCC(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893518632 583156284 /nfs/dbraw/zinc/15/62/84/583156284.db2.gz LIISPWZOTKNTFX-SECBINFHSA-N 1 2 240.328 1.933 20 0 BDADLO CNc1cc(N2C[C@@H](C)O[C@H](C3CC3)C2)nc[nH+]1 ZINC000893591006 583168603 /nfs/dbraw/zinc/16/86/03/583168603.db2.gz DHFUHGLSVJINNJ-KOLCDFICSA-N 1 2 248.330 1.522 20 0 BDADLO CNc1cc(N2C[C@@H](C)O[C@H](C3CC3)C2)[nH+]cn1 ZINC000893591006 583168605 /nfs/dbraw/zinc/16/86/05/583168605.db2.gz DHFUHGLSVJINNJ-KOLCDFICSA-N 1 2 248.330 1.522 20 0 BDADLO Cn1cc(C[NH+]2CCC(O)CC2)c(Cl)n1 ZINC000857011117 588881824 /nfs/dbraw/zinc/88/18/24/588881824.db2.gz JRKJZIZRHHNUGO-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@H]2CCOC2=O)cc1 ZINC000857028254 588882825 /nfs/dbraw/zinc/88/28/25/588882825.db2.gz AWFDWYFMKVGTLD-ZDUSSCGKSA-N 1 2 233.311 1.996 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@H]2CCOC2=O)cc1 ZINC000857028254 588882826 /nfs/dbraw/zinc/88/28/26/588882826.db2.gz AWFDWYFMKVGTLD-ZDUSSCGKSA-N 1 2 233.311 1.996 20 0 BDADLO C/C=C\C[C@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000893660241 583190071 /nfs/dbraw/zinc/19/00/71/583190071.db2.gz BJRMAGVLTSKDHP-GYHQZXBOSA-N 1 2 243.347 1.633 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H](F)C2)nc[nH+]1 ZINC000893677224 583195156 /nfs/dbraw/zinc/19/51/56/583195156.db2.gz QYJJBYISPBJNKT-SECBINFHSA-N 1 2 224.283 1.481 20 0 BDADLO CN(C)c1cc(N2CCC[C@@H](F)C2)[nH+]cn1 ZINC000893677224 583195160 /nfs/dbraw/zinc/19/51/60/583195160.db2.gz QYJJBYISPBJNKT-SECBINFHSA-N 1 2 224.283 1.481 20 0 BDADLO Cc1cnn(C)c1C(=O)OCCCn1cc[nH+]c1 ZINC000840636465 583198700 /nfs/dbraw/zinc/19/87/00/583198700.db2.gz PPCXVZVZRRHIHP-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1cn(C)nc1Cl)C1CC1 ZINC000857048777 588883919 /nfs/dbraw/zinc/88/39/19/588883919.db2.gz AXUQDRGYBNTRME-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1cn(C)nc1Cl)C1CC1 ZINC000857048777 588883920 /nfs/dbraw/zinc/88/39/20/588883920.db2.gz AXUQDRGYBNTRME-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)c1cccc(N2CCC3(CCO3)CC2)[nH+]1 ZINC000893700463 583203960 /nfs/dbraw/zinc/20/39/60/583203960.db2.gz XCGFVTSPDXIBAD-NSHDSACASA-N 1 2 248.326 1.894 20 0 BDADLO Cc1noc2ncc(C[N@@H+]3CCO[C@H](C)C3)cc12 ZINC000893917295 583247249 /nfs/dbraw/zinc/24/72/49/583247249.db2.gz SUWAHKVRIULRJQ-SECBINFHSA-N 1 2 247.298 1.752 20 0 BDADLO Cc1noc2ncc(C[N@H+]3CCO[C@H](C)C3)cc12 ZINC000893917295 583247250 /nfs/dbraw/zinc/24/72/50/583247250.db2.gz SUWAHKVRIULRJQ-SECBINFHSA-N 1 2 247.298 1.752 20 0 BDADLO CNc1cc(N2CC[C@@H](n3cccn3)C2)nc[nH+]1 ZINC000893933007 583251974 /nfs/dbraw/zinc/25/19/74/583251974.db2.gz SHTHKCSYBRSHIC-SNVBAGLBSA-N 1 2 244.302 1.166 20 0 BDADLO CNc1cc(N2CC[C@@H](n3cccn3)C2)[nH+]cn1 ZINC000893933007 583251976 /nfs/dbraw/zinc/25/19/76/583251976.db2.gz SHTHKCSYBRSHIC-SNVBAGLBSA-N 1 2 244.302 1.166 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961972 583256377 /nfs/dbraw/zinc/25/63/77/583256377.db2.gz HTUAMLUJDXMTQU-VIFPVBQESA-N 1 2 247.298 1.489 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893961972 583256379 /nfs/dbraw/zinc/25/63/79/583256379.db2.gz HTUAMLUJDXMTQU-VIFPVBQESA-N 1 2 247.298 1.489 20 0 BDADLO CCc1cc(N(CC)[C@H](C)CO)nc(CC)[nH+]1 ZINC000893949337 583259298 /nfs/dbraw/zinc/25/92/98/583259298.db2.gz ZTPMNPDHOHTVPW-SNVBAGLBSA-N 1 2 237.347 1.809 20 0 BDADLO C[C@H](CCO)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000893950890 583260778 /nfs/dbraw/zinc/26/07/78/583260778.db2.gz JTYDMNIEAJBSDM-ZJUUUORDSA-N 1 2 229.320 1.221 20 0 BDADLO Cc1coc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000893983333 583269148 /nfs/dbraw/zinc/26/91/48/583269148.db2.gz ASFWNDXINHQTIG-NSHDSACASA-N 1 2 234.299 1.395 20 0 BDADLO Cc1coc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000893983333 583269149 /nfs/dbraw/zinc/26/91/49/583269149.db2.gz ASFWNDXINHQTIG-NSHDSACASA-N 1 2 234.299 1.395 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000894027140 583280317 /nfs/dbraw/zinc/28/03/17/583280317.db2.gz FIOMZAFODOKVFQ-GHHKWEBWSA-N 1 2 227.304 1.095 20 0 BDADLO CC[C@@H](Nc1cc(N(C)C)nc[nH+]1)[C@H](C)O ZINC000894076831 583297312 /nfs/dbraw/zinc/29/73/12/583297312.db2.gz PNDFVGUOTDJVBB-DTWKUNHWSA-N 1 2 224.308 1.114 20 0 BDADLO CNc1cc(NCc2ncccc2OC)nc[nH+]1 ZINC000894118548 583310050 /nfs/dbraw/zinc/31/00/50/583310050.db2.gz HZGRGTJGVBMMEQ-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO CNc1cc(NCc2ncccc2OC)[nH+]cn1 ZINC000894118548 583310052 /nfs/dbraw/zinc/31/00/52/583310052.db2.gz HZGRGTJGVBMMEQ-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CC[C@H](C(N)=O)C2)[nH+]1 ZINC000894119408 583310251 /nfs/dbraw/zinc/31/02/51/583310251.db2.gz HWJHCNMYQCDRRL-KXUCPTDWSA-N 1 2 249.314 1.201 20 0 BDADLO CC(C)(C(=O)NC[C@H]1CCC=CO1)c1c[nH]c[nH+]1 ZINC000857186679 588892296 /nfs/dbraw/zinc/89/22/96/588892296.db2.gz YZQYQVFAWDSCPY-SNVBAGLBSA-N 1 2 249.314 1.496 20 0 BDADLO OCCC[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894134485 583313563 /nfs/dbraw/zinc/31/35/63/583313563.db2.gz MMTOLBQBFHUBRF-LLVKDONJSA-N 1 2 246.314 1.328 20 0 BDADLO CC1C[NH+](Cc2nnc(C3CC3)s2)C1 ZINC000894158257 583320648 /nfs/dbraw/zinc/32/06/48/583320648.db2.gz LTQRWCDHGNRYSD-UHFFFAOYSA-N 1 2 209.318 1.867 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nc(Cl)cs1 ZINC000877527616 583322690 /nfs/dbraw/zinc/32/26/90/583322690.db2.gz TZABJMVPMRIWLL-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877527616 583322693 /nfs/dbraw/zinc/32/26/93/583322693.db2.gz TZABJMVPMRIWLL-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO CCn1ccc(CNc2cc(N(C)C)nc[nH+]2)n1 ZINC000894185844 583330685 /nfs/dbraw/zinc/33/06/85/583330685.db2.gz SAVAEYCRZNBKKO-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCn1ccc(CNc2cc(N(C)C)[nH+]cn2)n1 ZINC000894185844 583330687 /nfs/dbraw/zinc/33/06/87/583330687.db2.gz SAVAEYCRZNBKKO-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)CS1 ZINC000894193918 583333998 /nfs/dbraw/zinc/33/39/98/583333998.db2.gz ICMJMDZPNJHGJN-RKDXNWHRSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)CS1 ZINC000894193918 583333999 /nfs/dbraw/zinc/33/39/99/583333999.db2.gz ICMJMDZPNJHGJN-RKDXNWHRSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@H]1CC(C)(C)CN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000894205410 583342706 /nfs/dbraw/zinc/34/27/06/583342706.db2.gz KFYNEHPKTAJEMO-QMMMGPOBSA-N 1 2 247.346 1.956 20 0 BDADLO C[C@H]1CC(C)(C)CN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000894205410 583342709 /nfs/dbraw/zinc/34/27/09/583342709.db2.gz KFYNEHPKTAJEMO-QMMMGPOBSA-N 1 2 247.346 1.956 20 0 BDADLO CC1(C)C[NH+](CN2CCC2=O)CC(C)(C)O1 ZINC000857235398 588900169 /nfs/dbraw/zinc/90/01/69/588900169.db2.gz RTVHEVIELADSJI-UHFFFAOYSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000667475235 583381607 /nfs/dbraw/zinc/38/16/07/583381607.db2.gz JCOXGACYYIGNFZ-NEPJUHHUSA-N 1 2 249.358 1.829 20 0 BDADLO COc1nc(C)cc(C)c1C[NH2+]Cc1cnc[nH]1 ZINC000894221160 583382217 /nfs/dbraw/zinc/38/22/17/583382217.db2.gz MRRJDWITMPOJQE-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000894281368 583408520 /nfs/dbraw/zinc/40/85/20/583408520.db2.gz QKDLIQCRSMZRTE-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000894281368 583408522 /nfs/dbraw/zinc/40/85/22/583408522.db2.gz QKDLIQCRSMZRTE-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO CCC1(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000333684739 583417872 /nfs/dbraw/zinc/41/78/72/583417872.db2.gz BGPKFTOQKAXUQQ-VIFPVBQESA-N 1 2 248.330 1.509 20 0 BDADLO CCC1(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000333684739 583417875 /nfs/dbraw/zinc/41/78/75/583417875.db2.gz BGPKFTOQKAXUQQ-VIFPVBQESA-N 1 2 248.330 1.509 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879324874 583424951 /nfs/dbraw/zinc/42/49/51/583424951.db2.gz KUTHAMQETVZEAF-WDEREUQCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879324874 583424952 /nfs/dbraw/zinc/42/49/52/583424952.db2.gz KUTHAMQETVZEAF-WDEREUQCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879324872 583425248 /nfs/dbraw/zinc/42/52/48/583425248.db2.gz KUTHAMQETVZEAF-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879324872 583425250 /nfs/dbraw/zinc/42/52/50/583425250.db2.gz KUTHAMQETVZEAF-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@@H+]1CN1CCC1=O ZINC000857233514 588898286 /nfs/dbraw/zinc/89/82/86/588898286.db2.gz CFFZAVOMIQFXQE-GFCCVEGCSA-N 1 2 248.330 1.137 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@H+]1CN1CCC1=O ZINC000857233514 588898287 /nfs/dbraw/zinc/89/82/87/588898287.db2.gz CFFZAVOMIQFXQE-GFCCVEGCSA-N 1 2 248.330 1.137 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cccc(F)n1 ZINC000894358672 583436386 /nfs/dbraw/zinc/43/63/86/583436386.db2.gz IMZLIJVWNXUXFC-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO FC1(F)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894384742 583442791 /nfs/dbraw/zinc/44/27/91/583442791.db2.gz UEVSXQLBFKHOSP-UHFFFAOYSA-N 1 2 238.241 1.965 20 0 BDADLO CCON(CC)Cc1[nH+]ccc(OC)c1OC ZINC000879798648 583448905 /nfs/dbraw/zinc/44/89/05/583448905.db2.gz FFYXFYMWFFZSOZ-UHFFFAOYSA-N 1 2 240.303 1.872 20 0 BDADLO C[C@@H](O)c1cccc(N(C)[C@H](C)CCO)[nH+]1 ZINC000894405568 583450208 /nfs/dbraw/zinc/45/02/08/583450208.db2.gz FPARCYLZSQMKJX-NXEZZACHSA-N 1 2 224.304 1.342 20 0 BDADLO FC(F)(F)Cn1ccc(NCc2c[nH+]c[nH]2)n1 ZINC000894411064 583451354 /nfs/dbraw/zinc/45/13/54/583451354.db2.gz GHCSHLWSFIHCOP-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO FC(F)(F)Cn1ccc(NCc2c[nH]c[nH+]2)n1 ZINC000894411064 583451356 /nfs/dbraw/zinc/45/13/56/583451356.db2.gz GHCSHLWSFIHCOP-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO CCc1cc(N2CC(COC)C2)nc(CC)[nH+]1 ZINC000894417943 583454324 /nfs/dbraw/zinc/45/43/24/583454324.db2.gz DUOGBWOXERPRAH-UHFFFAOYSA-N 1 2 235.331 1.684 20 0 BDADLO CCC(C)(C)CNC(=O)NCc1cn(C)c[nH+]1 ZINC000894434169 583458670 /nfs/dbraw/zinc/45/86/70/583458670.db2.gz BEYFYSDORJUUJQ-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO CSc1ccc(C[NH2+]C2(C(N)=O)CC2)o1 ZINC000894453539 583461571 /nfs/dbraw/zinc/46/15/71/583461571.db2.gz HJJKCAIKHLPVTH-UHFFFAOYSA-N 1 2 226.301 1.109 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cn2ccnc2s1 ZINC000894463347 583465253 /nfs/dbraw/zinc/46/52/53/583465253.db2.gz GNJWYPOMXFVHEO-UHFFFAOYSA-N 1 2 249.299 1.377 20 0 BDADLO FCC[N@@H+]1CCC[C@H](Nc2nccs2)C1 ZINC000894472906 583468329 /nfs/dbraw/zinc/46/83/29/583468329.db2.gz WRHGCMYZYUUTTI-VIFPVBQESA-N 1 2 229.324 1.989 20 0 BDADLO FCC[N@H+]1CCC[C@H](Nc2nccs2)C1 ZINC000894472906 583468331 /nfs/dbraw/zinc/46/83/31/583468331.db2.gz WRHGCMYZYUUTTI-VIFPVBQESA-N 1 2 229.324 1.989 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H](C)c1ccccc1 ZINC000857305294 588905026 /nfs/dbraw/zinc/90/50/26/588905026.db2.gz COIZWGBTPWEDFC-NSHDSACASA-N 1 2 236.315 1.447 20 0 BDADLO C[C@@H](O)c1cccc(N2CCC[C@@H]2[C@H](C)O)[nH+]1 ZINC000894573455 583486653 /nfs/dbraw/zinc/48/66/53/583486653.db2.gz YFQCJUYHYJOSDB-JFGNBEQYSA-N 1 2 236.315 1.485 20 0 BDADLO COCc1nccc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000894590729 583488230 /nfs/dbraw/zinc/48/82/30/583488230.db2.gz GRMAZMYBLFHRIZ-VIFPVBQESA-N 1 2 247.302 1.530 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000894587600 583490386 /nfs/dbraw/zinc/49/03/86/583490386.db2.gz FGBWAYVCJVIKSX-PSASIEDQSA-N 1 2 222.292 1.018 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894601188 583491059 /nfs/dbraw/zinc/49/10/59/583491059.db2.gz RMGHYZRPVJWYQG-LURJTMIESA-N 1 2 215.297 1.863 20 0 BDADLO CCc1cc(N2CCC3(COC3)C2)nc(CC)[nH+]1 ZINC000894610329 583491231 /nfs/dbraw/zinc/49/12/31/583491231.db2.gz LFAWTRJRLMRHTM-UHFFFAOYSA-N 1 2 247.342 1.828 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000894597430 583493271 /nfs/dbraw/zinc/49/32/71/583493271.db2.gz ZLLGHJJJTDVCTF-NSHDSACASA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000894597430 583493272 /nfs/dbraw/zinc/49/32/72/583493272.db2.gz ZLLGHJJJTDVCTF-NSHDSACASA-N 1 2 237.347 1.736 20 0 BDADLO CC[N@H+](Cc1c(Cl)c(C)nn1C)[C@@H](C)CO ZINC000894638424 583498693 /nfs/dbraw/zinc/49/86/93/583498693.db2.gz ANRMLGORCIBIFZ-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO CC[N@@H+](Cc1c(Cl)c(C)nn1C)[C@@H](C)CO ZINC000894638424 583498695 /nfs/dbraw/zinc/49/86/95/583498695.db2.gz ANRMLGORCIBIFZ-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO COc1nccc(C[NH+]2CC3(CC3)C2)c1F ZINC000894664889 583502275 /nfs/dbraw/zinc/50/22/75/583502275.db2.gz ZQHXBIIGWQUDGA-UHFFFAOYSA-N 1 2 222.263 1.825 20 0 BDADLO CCn1cc(C[NH+]2CC(CC)(CC)C2)nn1 ZINC000894821288 583524052 /nfs/dbraw/zinc/52/40/52/583524052.db2.gz FQXGQVREHOYLDZ-UHFFFAOYSA-N 1 2 222.336 1.920 20 0 BDADLO CCOC1C[NH+](Cc2cnn(CCF)c2)C1 ZINC000894818377 583524448 /nfs/dbraw/zinc/52/44/48/583524448.db2.gz BXXMSHOUFDRKIE-UHFFFAOYSA-N 1 2 227.283 1.073 20 0 BDADLO COc1ccc(C[NH+]2CC(c3nc(C)no3)C2)o1 ZINC000894819232 583525041 /nfs/dbraw/zinc/52/50/41/583525041.db2.gz IVHYGWCGHIIGGR-UHFFFAOYSA-N 1 2 249.270 1.579 20 0 BDADLO CCOC1C[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000894819755 583525048 /nfs/dbraw/zinc/52/50/48/583525048.db2.gz QDEFMHHIBRRWJA-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccnn2C2CCC2)C1 ZINC000894822099 583525592 /nfs/dbraw/zinc/52/55/92/583525592.db2.gz NEXLDTZIPFTANB-UHFFFAOYSA-N 1 2 249.358 1.811 20 0 BDADLO Cc1nnc(C[NH+]2CC3(C2)CCCOC3)s1 ZINC000894827829 583526627 /nfs/dbraw/zinc/52/66/27/583526627.db2.gz HIUHVNFHYKLRDQ-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CCC2(C)C)c1 ZINC000894839505 583529444 /nfs/dbraw/zinc/52/94/44/583529444.db2.gz KACPDQVWRZSNGM-JTQLQIEISA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)n2C)[C@@H]1C ZINC000894861704 583535291 /nfs/dbraw/zinc/53/52/91/583535291.db2.gz MNFQITFZXOPZAY-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)n2C)[C@@H]1C ZINC000894861704 583535292 /nfs/dbraw/zinc/53/52/92/583535292.db2.gz MNFQITFZXOPZAY-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO Cc1coc(C[N@H+](C2CC2)C2COC2)c1 ZINC000894868785 583538963 /nfs/dbraw/zinc/53/89/63/583538963.db2.gz HDDFCFOIVQEIKP-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1coc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000894868785 583538965 /nfs/dbraw/zinc/53/89/65/583538965.db2.gz HDDFCFOIVQEIKP-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO O=c1oc2ccc(C[N@H+]3CC[C@@H](F)C3)cc2o1 ZINC000894875264 583541817 /nfs/dbraw/zinc/54/18/17/583541817.db2.gz ZZWBEMZGFLIAFX-SECBINFHSA-N 1 2 237.230 1.930 20 0 BDADLO O=c1oc2ccc(C[N@@H+]3CC[C@@H](F)C3)cc2o1 ZINC000894875264 583541818 /nfs/dbraw/zinc/54/18/18/583541818.db2.gz ZZWBEMZGFLIAFX-SECBINFHSA-N 1 2 237.230 1.930 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000857762469 588909806 /nfs/dbraw/zinc/90/98/06/588909806.db2.gz DPBHLVGZTDCFCS-SDDRHHMPSA-N 1 2 240.347 1.613 20 0 BDADLO FC[C@@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000894888157 583547069 /nfs/dbraw/zinc/54/70/69/583547069.db2.gz PLLQLGDCWVFSRH-LLVKDONJSA-N 1 2 239.294 1.388 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000894925818 583556526 /nfs/dbraw/zinc/55/65/26/583556526.db2.gz ONFNYOZCFCCSEM-RNFRBKRXSA-N 1 2 229.305 1.140 20 0 BDADLO CC(C)c1c[nH]c(CN2CCO[C@@H](CF)C2)[nH+]1 ZINC000894987964 583565008 /nfs/dbraw/zinc/56/50/08/583565008.db2.gz WIOQOAVNIHOABR-JTQLQIEISA-N 1 2 241.310 1.703 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccncc2)[C@H]1C ZINC000895115828 583591767 /nfs/dbraw/zinc/59/17/67/583591767.db2.gz QIKLDHNWYRDBNX-DCAQKATOSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccncc2)[C@H]1C ZINC000895115828 583591768 /nfs/dbraw/zinc/59/17/68/583591768.db2.gz QIKLDHNWYRDBNX-DCAQKATOSA-N 1 2 233.315 1.179 20 0 BDADLO Cc1coc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000895120600 583594369 /nfs/dbraw/zinc/59/43/69/583594369.db2.gz MSUUUPSCNYSCRI-GARJFASQSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1coc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000895120600 583594372 /nfs/dbraw/zinc/59/43/72/583594372.db2.gz MSUUUPSCNYSCRI-GARJFASQSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1coc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1 ZINC000895120601 583594395 /nfs/dbraw/zinc/59/43/95/583594395.db2.gz MSUUUPSCNYSCRI-GMTAPVOTSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1coc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1 ZINC000895120601 583594397 /nfs/dbraw/zinc/59/43/97/583594397.db2.gz MSUUUPSCNYSCRI-GMTAPVOTSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCC[C@H](F)C2)c1C ZINC000895149949 583606029 /nfs/dbraw/zinc/60/60/29/583606029.db2.gz DRKDHKFRUNRHET-JTQLQIEISA-N 1 2 211.284 1.960 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCC[C@H](F)C2)c1C ZINC000895149949 583606031 /nfs/dbraw/zinc/60/60/31/583606031.db2.gz DRKDHKFRUNRHET-JTQLQIEISA-N 1 2 211.284 1.960 20 0 BDADLO CCCSC[C@H](C)[NH2+]CC(=O)NOCC ZINC000895174542 583614845 /nfs/dbraw/zinc/61/48/45/583614845.db2.gz GVTDXYDYSMDODI-VIFPVBQESA-N 1 2 234.365 1.175 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H]3COC[C@]3(C)C2)c1C ZINC000882620089 583626650 /nfs/dbraw/zinc/62/66/50/583626650.db2.gz SOPQFLMIKMFQAQ-YPMHNXCESA-N 1 2 233.315 1.566 20 0 BDADLO COCCN(CCF)Cc1c(C)cc[nH+]c1N ZINC000895251805 583633141 /nfs/dbraw/zinc/63/31/41/583633141.db2.gz WTICNILEPFWKJM-UHFFFAOYSA-N 1 2 241.310 1.390 20 0 BDADLO FC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000882805225 583641526 /nfs/dbraw/zinc/64/15/26/583641526.db2.gz URQMSAABJOMNIQ-UHFFFAOYSA-N 1 2 236.294 1.989 20 0 BDADLO FC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000882805225 583641527 /nfs/dbraw/zinc/64/15/27/583641527.db2.gz URQMSAABJOMNIQ-UHFFFAOYSA-N 1 2 236.294 1.989 20 0 BDADLO CC1=NO[C@@H](C[NH2+]Cc2ncnn2C(C)C)C1 ZINC000895299893 583641991 /nfs/dbraw/zinc/64/19/91/583641991.db2.gz HXFWQWKNBBDOCF-SNVBAGLBSA-N 1 2 237.307 1.113 20 0 BDADLO COCc1cc(C[NH2+]C[C@H]2CC(C)=NO2)no1 ZINC000895305614 583643106 /nfs/dbraw/zinc/64/31/06/583643106.db2.gz VIJYVHZALHIKLM-SNVBAGLBSA-N 1 2 239.275 1.075 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000895310592 583646964 /nfs/dbraw/zinc/64/69/64/583646964.db2.gz PDKFAEZAONEQLO-WDEREUQCSA-N 1 2 236.319 1.264 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCc2nccnc2C1 ZINC000895334414 583652767 /nfs/dbraw/zinc/65/27/67/583652767.db2.gz MHFAJQMBKDNIQA-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1ncoc1C[N@H+]1CCc2nccnc2C1 ZINC000895334414 583652768 /nfs/dbraw/zinc/65/27/68/583652768.db2.gz MHFAJQMBKDNIQA-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000857876129 588919097 /nfs/dbraw/zinc/91/90/97/588919097.db2.gz LHQHOWZSHAJGBB-UHFFFAOYSA-N 1 2 233.315 1.266 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857876129 588919099 /nfs/dbraw/zinc/91/90/99/588919099.db2.gz LHQHOWZSHAJGBB-UHFFFAOYSA-N 1 2 233.315 1.266 20 0 BDADLO CCN(CC(C)(C)O)c1ccc([C@H](C)O)c[nH+]1 ZINC000213292281 583654793 /nfs/dbraw/zinc/65/47/93/583654793.db2.gz VGYUISQBKSZMNS-JTQLQIEISA-N 1 2 238.331 1.732 20 0 BDADLO CN1CCC[C@@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000857879257 588919544 /nfs/dbraw/zinc/91/95/44/588919544.db2.gz XSEVLTOYSNPFTD-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO CN1CCC[C@@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000857879257 588919546 /nfs/dbraw/zinc/91/95/46/588919546.db2.gz XSEVLTOYSNPFTD-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO O=C(CC[N@@H+]1Cc2ccncc2C1)N1CCCC1 ZINC000857881960 588919807 /nfs/dbraw/zinc/91/98/07/588919807.db2.gz KTBCWTZJJVUTJR-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO O=C(CC[N@H+]1Cc2ccncc2C1)N1CCCC1 ZINC000857881960 588919809 /nfs/dbraw/zinc/91/98/09/588919809.db2.gz KTBCWTZJJVUTJR-UHFFFAOYSA-N 1 2 245.326 1.410 20 0 BDADLO Cc1nc([C@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000895402409 583665286 /nfs/dbraw/zinc/66/52/86/583665286.db2.gz FSXRKAMBLLOOKV-JTQLQIEISA-N 1 2 230.271 1.767 20 0 BDADLO C[N@H+](C[C@]1(C)CCCS1)C1CS(=O)(=O)C1 ZINC000895399877 583666197 /nfs/dbraw/zinc/66/61/97/583666197.db2.gz WJRNDAUOQRAVGM-JTQLQIEISA-N 1 2 249.401 1.001 20 0 BDADLO C[N@@H+](C[C@]1(C)CCCS1)C1CS(=O)(=O)C1 ZINC000895399877 583666198 /nfs/dbraw/zinc/66/61/98/583666198.db2.gz WJRNDAUOQRAVGM-JTQLQIEISA-N 1 2 249.401 1.001 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2ocnc2C)CCO1 ZINC000895415076 583667415 /nfs/dbraw/zinc/66/74/15/583667415.db2.gz KROTXIBBKKADLQ-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2ocnc2C)CCO1 ZINC000895415076 583667417 /nfs/dbraw/zinc/66/74/17/583667417.db2.gz KROTXIBBKKADLQ-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CC1(C)OC[C@@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000857882288 588920277 /nfs/dbraw/zinc/92/02/77/588920277.db2.gz QBUFVWLBAMCLAM-GFCCVEGCSA-N 1 2 234.299 1.549 20 0 BDADLO CC1(C)OC[C@@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000857882288 588920279 /nfs/dbraw/zinc/92/02/79/588920279.db2.gz QBUFVWLBAMCLAM-GFCCVEGCSA-N 1 2 234.299 1.549 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885893 588920370 /nfs/dbraw/zinc/92/03/70/588920370.db2.gz PRFXCEBOZBFQHO-LLGDCAAFSA-N 1 2 219.288 1.280 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887854 588920991 /nfs/dbraw/zinc/92/09/91/588920991.db2.gz VFDAFUBZHYULBG-OTVCUZDGSA-N 1 2 219.288 1.280 20 0 BDADLO COc1nccc(C[N@H+](C)C2(CO)CC2)c1F ZINC000895475379 583679262 /nfs/dbraw/zinc/67/92/62/583679262.db2.gz HCGODSBFIQUVKI-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO COc1nccc(C[N@@H+](C)C2(CO)CC2)c1F ZINC000895475379 583679263 /nfs/dbraw/zinc/67/92/63/583679263.db2.gz HCGODSBFIQUVKI-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887801 588921059 /nfs/dbraw/zinc/92/10/59/588921059.db2.gz OWQZABKMGZYXHN-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO CC1(C)CC2(CC([NH2+]Cc3c[nH]nn3)C2)CO1 ZINC000895534522 583686129 /nfs/dbraw/zinc/68/61/29/583686129.db2.gz VDJXNCGFBMCHAC-UHFFFAOYSA-N 1 2 236.319 1.242 20 0 BDADLO CC1(C)CC2(CC([NH2+]Cc3cn[nH]n3)C2)CO1 ZINC000895534522 583686131 /nfs/dbraw/zinc/68/61/31/583686131.db2.gz VDJXNCGFBMCHAC-UHFFFAOYSA-N 1 2 236.319 1.242 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)nc(N)[nH+]1 ZINC000895537448 583687206 /nfs/dbraw/zinc/68/72/06/583687206.db2.gz PIOBEBICUIITQA-BUJSFMDZSA-N 1 2 219.292 1.219 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[nH+]1 ZINC000895537448 583687208 /nfs/dbraw/zinc/68/72/08/583687208.db2.gz PIOBEBICUIITQA-BUJSFMDZSA-N 1 2 219.292 1.219 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1ccc(F)c(F)c1F)C2 ZINC000895646923 583698616 /nfs/dbraw/zinc/69/86/16/583698616.db2.gz YPGBSNQMGFJLDJ-UFBFGSQYSA-N 1 2 243.228 1.671 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1ccc(F)c(F)c1F)C2 ZINC000895646923 583698618 /nfs/dbraw/zinc/69/86/18/583698618.db2.gz YPGBSNQMGFJLDJ-UFBFGSQYSA-N 1 2 243.228 1.671 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1F ZINC000895655656 583701782 /nfs/dbraw/zinc/70/17/82/583701782.db2.gz WJDJNELJFKOHMU-MADCSZMMSA-N 1 2 241.237 1.237 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1F ZINC000895655656 583701783 /nfs/dbraw/zinc/70/17/83/583701783.db2.gz WJDJNELJFKOHMU-MADCSZMMSA-N 1 2 241.237 1.237 20 0 BDADLO CCn1cc(CNc2c[nH+]cc(N(C)C)c2)nn1 ZINC000895699961 583709401 /nfs/dbraw/zinc/70/94/01/583709401.db2.gz OSQAORLWFMOLCJ-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C2CC2)CC1 ZINC000895703270 583709598 /nfs/dbraw/zinc/70/95/98/583709598.db2.gz CMSDNPVJROYJJJ-JTQLQIEISA-N 1 2 233.315 1.578 20 0 BDADLO Cc1nnc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000895784456 583727286 /nfs/dbraw/zinc/72/72/86/583727286.db2.gz HQDTXHYTWAXTIS-PHDIDXHHSA-N 1 2 237.250 1.887 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N(C)CC2CC2)c[nH+]1 ZINC000895785302 583727358 /nfs/dbraw/zinc/72/73/58/583727358.db2.gz KHXLULYYZXXTFK-UHFFFAOYSA-N 1 2 235.331 1.795 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857946997 588924863 /nfs/dbraw/zinc/92/48/63/588924863.db2.gz KAWOIPRHXTWYLV-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO C/C(=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857944846 588924960 /nfs/dbraw/zinc/92/49/60/588924960.db2.gz AVEXJNZHPGIMAN-GYGFLDJKSA-N 1 2 245.326 1.670 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000895802886 583731253 /nfs/dbraw/zinc/73/12/53/583731253.db2.gz YCWLVIJECFFKBS-XQQFMLRXSA-N 1 2 231.295 1.695 20 0 BDADLO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895803668 583731532 /nfs/dbraw/zinc/73/15/32/583731532.db2.gz DULVIQWSKMYNKJ-DCAQKATOSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@H](Cc1cccs1)[NH2+][C@H]1CCOC1=O ZINC000895804008 583731775 /nfs/dbraw/zinc/73/17/75/583731775.db2.gz HISXXDIGJAWGCN-SCZZXKLOSA-N 1 2 225.313 1.584 20 0 BDADLO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCOC1=O ZINC000895805009 583732285 /nfs/dbraw/zinc/73/22/85/583732285.db2.gz YPJQDNCKLGPWLB-CABZTGNLSA-N 1 2 237.274 1.662 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCOC1=O)c1ccc(F)cc1 ZINC000895804709 583732322 /nfs/dbraw/zinc/73/23/22/583732322.db2.gz VQHNHWSKFJYCIL-SKDRFNHKSA-N 1 2 237.274 1.834 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895808482 583732645 /nfs/dbraw/zinc/73/26/45/583732645.db2.gz JDYPJRYDDBYKIP-HLTSFMKQSA-N 1 2 215.318 1.176 20 0 BDADLO Cc1cccc(C[C@@H](C)[NH2+][C@H]2CCOC2=O)c1 ZINC000895807817 583732821 /nfs/dbraw/zinc/73/28/21/583732821.db2.gz CTOOQGDQFNHVIL-YPMHNXCESA-N 1 2 233.311 1.831 20 0 BDADLO CC(C)O[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000895811470 583733173 /nfs/dbraw/zinc/73/31/73/583733173.db2.gz HURFQLVROWCNJG-DCAQKATOSA-N 1 2 241.331 1.484 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857961821 588925641 /nfs/dbraw/zinc/92/56/41/588925641.db2.gz GPHVUIJCDHZBRV-FGUAACIASA-N 1 2 233.315 1.670 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963697 588925657 /nfs/dbraw/zinc/92/56/57/588925657.db2.gz YMUWUFYQKGZSLY-OTVCUZDGSA-N 1 2 219.288 1.280 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000895905072 583742632 /nfs/dbraw/zinc/74/26/32/583742632.db2.gz HVRSWPIFFRLLKF-TVQRCGJNSA-N 1 2 229.283 1.499 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2COC[C@H]2C)[nH+]1 ZINC000895905076 583742826 /nfs/dbraw/zinc/74/28/26/583742826.db2.gz HXWDGKVRXDWMEY-XCBNKYQSSA-N 1 2 232.287 1.713 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2COC[C@@H]2C)[nH+]1 ZINC000895905075 583742976 /nfs/dbraw/zinc/74/29/76/583742976.db2.gz HXWDGKVRXDWMEY-OIBJUYFYSA-N 1 2 232.287 1.713 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000895905560 583744317 /nfs/dbraw/zinc/74/43/17/583744317.db2.gz NXCCNPIRAKFYTG-MWLCHTKSSA-N 1 2 248.330 1.745 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000895905560 583744319 /nfs/dbraw/zinc/74/43/19/583744319.db2.gz NXCCNPIRAKFYTG-MWLCHTKSSA-N 1 2 248.330 1.745 20 0 BDADLO CCOC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857976025 588926124 /nfs/dbraw/zinc/92/61/24/588926124.db2.gz VUMYJYWINMWYGV-SNVBAGLBSA-N 1 2 249.314 1.403 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976587 588926188 /nfs/dbraw/zinc/92/61/88/588926188.db2.gz HKOPXJGFRXYSPV-GXSJLCMTSA-N 1 2 237.303 1.259 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857974439 588926250 /nfs/dbraw/zinc/92/62/50/588926250.db2.gz HKHTYOLUBASZMG-SSDOTTSWSA-N 1 2 229.230 1.489 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ncccc1F ZINC000857974124 588926260 /nfs/dbraw/zinc/92/62/60/588926260.db2.gz FQVYWVIHTAVSLW-SECBINFHSA-N 1 2 246.245 1.292 20 0 BDADLO CC(C)OC1C[NH+](Cc2cnn(C)c2)C1 ZINC000895951960 583751394 /nfs/dbraw/zinc/75/13/94/583751394.db2.gz JOPCHRGHVKWHQZ-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000895956576 583752622 /nfs/dbraw/zinc/75/26/22/583752622.db2.gz OAFCBDFVNFTNKI-UHFFFAOYSA-N 1 2 235.327 1.788 20 0 BDADLO Cc1noc(-c2ccc(C[NH+]3CCOCC3)o2)n1 ZINC000895957906 583753369 /nfs/dbraw/zinc/75/33/69/583753369.db2.gz KLIBOAXQBBERSF-UHFFFAOYSA-N 1 2 249.270 1.470 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857978687 588926569 /nfs/dbraw/zinc/92/65/69/588926569.db2.gz QBRDSDPXTGMEBX-WZQADMAKSA-N 1 2 247.298 1.179 20 0 BDADLO CO[C@H]1C[N@@H+]([C@@H](C)Cc2ccsc2)CCO1 ZINC000895968911 583755443 /nfs/dbraw/zinc/75/54/43/583755443.db2.gz UZCZPWAEGMBBNX-CMPLNLGQSA-N 1 2 241.356 1.984 20 0 BDADLO CO[C@H]1C[N@H+]([C@@H](C)Cc2ccsc2)CCO1 ZINC000895968911 583755444 /nfs/dbraw/zinc/75/54/44/583755444.db2.gz UZCZPWAEGMBBNX-CMPLNLGQSA-N 1 2 241.356 1.984 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CC12CC2 ZINC000857977141 588926775 /nfs/dbraw/zinc/92/67/75/588926775.db2.gz SIEVRINHZLHOFV-BDAKNGLRSA-N 1 2 217.272 1.244 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977122 588927053 /nfs/dbraw/zinc/92/70/53/588927053.db2.gz AOLKBIVOTGHSPL-OLKPEBQYSA-N 1 2 219.288 1.800 20 0 BDADLO CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895999258 583760404 /nfs/dbraw/zinc/76/04/04/583760404.db2.gz ORBGCINCDZTWCA-UHFFFAOYSA-N 1 2 223.320 1.795 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C(C1CC1)C1CC1 ZINC000857980556 588927243 /nfs/dbraw/zinc/92/72/43/588927243.db2.gz LINAKJALXBYYBG-LLVKDONJSA-N 1 2 245.326 1.880 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)COC(C)=O ZINC000896003628 583762397 /nfs/dbraw/zinc/76/23/97/583762397.db2.gz ITWVTINUYZAFEL-KOLCDFICSA-N 1 2 245.319 1.115 20 0 BDADLO Cc1cc(CCNc2cc(C)[nH+]cn2)nn1C ZINC000896023421 583764548 /nfs/dbraw/zinc/76/45/48/583764548.db2.gz MTBFUDRAZQUBGJ-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(F)F)[C@H]1OC ZINC000896038794 583766241 /nfs/dbraw/zinc/76/62/41/583766241.db2.gz ZEEGJWSAPFCIKQ-FNCVBFRFSA-N 1 2 223.263 1.422 20 0 BDADLO COCCC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857980920 588927504 /nfs/dbraw/zinc/92/75/04/588927504.db2.gz SOMPBMJKCIIJEM-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(CCc1ccoc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857982450 588927927 /nfs/dbraw/zinc/92/79/27/588927927.db2.gz IRUPXYZUBVJRGD-NSHDSACASA-N 1 2 245.282 1.670 20 0 BDADLO CO[C@@H](C)CCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981970 588927976 /nfs/dbraw/zinc/92/79/76/588927976.db2.gz KMCGEISIUYLNJV-VHSXEESVSA-N 1 2 237.303 1.259 20 0 BDADLO Cc1cncc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857982626 588927984 /nfs/dbraw/zinc/92/79/84/588927984.db2.gz KLMLLTKQUVVCHD-NSHDSACASA-N 1 2 242.282 1.461 20 0 BDADLO COC[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981704 588928046 /nfs/dbraw/zinc/92/80/46/588928046.db2.gz ASTREYJPWJGVRZ-NXEZZACHSA-N 1 2 237.303 1.117 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982525 588928104 /nfs/dbraw/zinc/92/81/04/588928104.db2.gz PFNFARRNSFZAOW-FGUAACIASA-N 1 2 231.299 1.967 20 0 BDADLO C[C@H]1C[C@@H]1c1noc(C2([NH+](C)C)CC2)n1 ZINC000896123677 583773864 /nfs/dbraw/zinc/77/38/64/583773864.db2.gz JNJPLQFDEFHJOT-YUMQZZPRSA-N 1 2 207.277 1.744 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857982986 588928281 /nfs/dbraw/zinc/92/82/81/588928281.db2.gz UOBPJCAZDRLRFM-MXWKQRLJSA-N 1 2 233.315 1.880 20 0 BDADLO COC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000727811980 583777164 /nfs/dbraw/zinc/77/71/64/583777164.db2.gz YIIPAVVNANKWLG-UHFFFAOYSA-N 1 2 237.181 1.301 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N(C)CC(F)F)c[nH+]1 ZINC000896158903 583777177 /nfs/dbraw/zinc/77/71/77/583777177.db2.gz ZLGTXXKAODFYLL-UHFFFAOYSA-N 1 2 245.273 1.650 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983525 588928925 /nfs/dbraw/zinc/92/89/25/588928925.db2.gz BFAALWCCOMTFFB-SECBINFHSA-N 1 2 221.304 1.880 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987301 588929112 /nfs/dbraw/zinc/92/91/12/588929112.db2.gz TWNXRACSLMOMHC-NXEZZACHSA-N 1 2 221.304 1.736 20 0 BDADLO O=C(CC(F)(F)F)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988225 588929273 /nfs/dbraw/zinc/92/92/73/588929273.db2.gz CTPFIFNWJVYTNW-ZCFIWIBFSA-N 1 2 233.193 1.397 20 0 BDADLO Cc1ncsc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986241 588929439 /nfs/dbraw/zinc/92/94/39/588929439.db2.gz OBRUTVNRZATLBE-QMMMGPOBSA-N 1 2 248.311 1.523 20 0 BDADLO O=C(CCc1ccco1)N[C@H]1CCn2c[nH+]cc21 ZINC000857988396 588929441 /nfs/dbraw/zinc/92/94/41/588929441.db2.gz JGYJLPWVTCMEEA-NSHDSACASA-N 1 2 245.282 1.670 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccnc1 ZINC000857989536 588929866 /nfs/dbraw/zinc/92/98/66/588929866.db2.gz IOMYEGYPJQUPKM-SNVBAGLBSA-N 1 2 228.255 1.153 20 0 BDADLO CC[C@H](OC)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996849 588929901 /nfs/dbraw/zinc/92/99/01/588929901.db2.gz GWUOEGMYCFDDSV-NSHDSACASA-N 1 2 249.314 1.574 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)nc[nH+]1 ZINC000896347493 583795400 /nfs/dbraw/zinc/79/54/00/583795400.db2.gz QBLAXXXXDMEIFK-RTCCRHLQSA-N 1 2 249.314 1.879 20 0 BDADLO COc1ccc[nH+]c1NCCO[C@H]1CCOC1 ZINC000896473597 583802908 /nfs/dbraw/zinc/80/29/08/583802908.db2.gz OPJJLIDFEDGAQE-JTQLQIEISA-N 1 2 238.287 1.308 20 0 BDADLO CCOCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997285 588930595 /nfs/dbraw/zinc/93/05/95/588930595.db2.gz IQAOURHZWSDLJD-UHFFFAOYSA-N 1 2 249.314 1.575 20 0 BDADLO CCOCCOCCNc1[nH+]cccc1OC ZINC000896480771 583805783 /nfs/dbraw/zinc/80/57/83/583805783.db2.gz HMGDKIUJAMQQCX-UHFFFAOYSA-N 1 2 240.303 1.555 20 0 BDADLO Cn1nc(CNc2cc[nH+]cc2F)cc1C1CC1 ZINC000896528541 583808511 /nfs/dbraw/zinc/80/85/11/583808511.db2.gz ZRECRJLDFPHGOA-UHFFFAOYSA-N 1 2 246.289 1.866 20 0 BDADLO COC[C@H](OC)c1noc(C[N@H+](C)C(C)C)n1 ZINC000896637074 583819198 /nfs/dbraw/zinc/81/91/98/583819198.db2.gz PNPAMCPLYMHGPA-VIFPVBQESA-N 1 2 243.307 1.244 20 0 BDADLO COC[C@H](OC)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000896637074 583819200 /nfs/dbraw/zinc/81/92/00/583819200.db2.gz PNPAMCPLYMHGPA-VIFPVBQESA-N 1 2 243.307 1.244 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cc(C)cnn1)C2 ZINC000896655119 583821133 /nfs/dbraw/zinc/82/11/33/583821133.db2.gz UTXZRFUDHOQKLN-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@H](CO)C1 ZINC000896695502 583824299 /nfs/dbraw/zinc/82/42/99/583824299.db2.gz VBILWGQABNCDSR-KYZUINATSA-N 1 2 208.261 1.273 20 0 BDADLO Fc1cc(C[NH2+][C@@H]2CCn3ccnc32)ccn1 ZINC000858169612 588936580 /nfs/dbraw/zinc/93/65/80/588936580.db2.gz AFIOLBOWSVAJAZ-SNVBAGLBSA-N 1 2 232.262 1.652 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000858170720 588936703 /nfs/dbraw/zinc/93/67/03/588936703.db2.gz NOESNABOWPXILN-RBXMUDONSA-N 1 2 242.344 1.265 20 0 BDADLO CCC[C@H](OCC)C(=O)NC1=[NH+]CCS1 ZINC000858170351 588936734 /nfs/dbraw/zinc/93/67/34/588936734.db2.gz JJLBGYMCURNRND-QMMMGPOBSA-N 1 2 230.333 1.411 20 0 BDADLO Cc1[nH]c(CNC(=O)CSC(F)F)[nH+]c1C ZINC000896909136 583852440 /nfs/dbraw/zinc/85/24/40/583852440.db2.gz BRBZYQPXVPBCNB-UHFFFAOYSA-N 1 2 249.286 1.599 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccsn2)[nH+]c1C ZINC000896909990 583852714 /nfs/dbraw/zinc/85/27/14/583852714.db2.gz JXQHQKWSCRSBTG-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CCO[C@@H]2C)[nH+]c1C ZINC000896912675 583853591 /nfs/dbraw/zinc/85/35/91/583853591.db2.gz CLAPFSGLNGULHU-ZJUUUORDSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ncoc2C)[nH+]c1C ZINC000896922869 583856975 /nfs/dbraw/zinc/85/69/75/583856975.db2.gz FCPIJEMXOGHUSP-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO CC[C@]1(C)CCC[C@H]1[NH2+]CC(=O)NOC ZINC000896924448 583857512 /nfs/dbraw/zinc/85/75/12/583857512.db2.gz MPKKPUVXCNOXKR-MWLCHTKSSA-N 1 2 214.309 1.222 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000896924413 583857519 /nfs/dbraw/zinc/85/75/19/583857519.db2.gz MFMCLZABVRRNNK-VXGBXAGGSA-N 1 2 240.347 1.779 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC000896922979 583857541 /nfs/dbraw/zinc/85/75/41/583857541.db2.gz ABKXTXNSXSNBQM-VHSXEESVSA-N 1 2 228.336 1.468 20 0 BDADLO CCC[C@@H]([NH2+]CC(=O)NOC)C1CCCC1 ZINC000896925097 583858138 /nfs/dbraw/zinc/85/81/38/583858138.db2.gz UDLPPEMIXXDDEL-LLVKDONJSA-N 1 2 228.336 1.613 20 0 BDADLO Cc1c[nH]c(-c2noc(Cc3c[nH+]cn3C)n2)n1 ZINC000896935546 583861676 /nfs/dbraw/zinc/86/16/76/583861676.db2.gz CZCDUTHVUBBZHR-UHFFFAOYSA-N 1 2 244.258 1.092 20 0 BDADLO C[NH+](C)C1(c2nc(-c3ccc[nH]c3=O)no2)CC1 ZINC000896953654 583864045 /nfs/dbraw/zinc/86/40/45/583864045.db2.gz PMSJQNOCXLQFFR-UHFFFAOYSA-N 1 2 246.270 1.388 20 0 BDADLO O[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000896971087 583866464 /nfs/dbraw/zinc/86/64/64/583866464.db2.gz MOZZJIMZNYEDJD-AXFHLTTASA-N 1 2 249.314 1.040 20 0 BDADLO COCC1(c2noc(CCn3cc[nH+]c3)n2)CC1 ZINC000897042293 583873980 /nfs/dbraw/zinc/87/39/80/583873980.db2.gz VEIVDFFAAWGVEB-UHFFFAOYSA-N 1 2 248.286 1.187 20 0 BDADLO OCCC1CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000897235332 583899710 /nfs/dbraw/zinc/89/97/10/583899710.db2.gz XRPYREYRDHFWEG-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCc2c[nH+]cn2C)[C@H](C)O1 ZINC000870220334 583910162 /nfs/dbraw/zinc/91/01/62/583910162.db2.gz UUSKHWBXDFIKKT-YWVKMMECSA-N 1 2 238.287 1.277 20 0 BDADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cocn1 ZINC000897342657 583925768 /nfs/dbraw/zinc/92/57/68/583925768.db2.gz DTEJQHOHHFTUAP-SNVBAGLBSA-N 1 2 237.303 1.069 20 0 BDADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cocn1 ZINC000897342656 583925842 /nfs/dbraw/zinc/92/58/42/583925842.db2.gz DTEJQHOHHFTUAP-JTQLQIEISA-N 1 2 237.303 1.069 20 0 BDADLO Cc1c(C[NH+]2CC(O)(C(C)C)C2)ccnc1F ZINC000862390512 583962329 /nfs/dbraw/zinc/96/23/29/583962329.db2.gz XOPUOSIZINLZPL-UHFFFAOYSA-N 1 2 238.306 1.732 20 0 BDADLO CC(C)c1ncc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000858198516 588938705 /nfs/dbraw/zinc/93/87/05/588938705.db2.gz PONPZMPUNQRDJF-UHFFFAOYSA-N 1 2 237.332 1.674 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000888161413 583975561 /nfs/dbraw/zinc/97/55/61/583975561.db2.gz ZEKSVESREFBAON-GXSJLCMTSA-N 1 2 249.314 1.511 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC[C@@H]2C2CC2)[nH+]cn1 ZINC000897452417 583985806 /nfs/dbraw/zinc/98/58/06/583985806.db2.gz WYVPXWKARCTXBL-GHMZBOCLSA-N 1 2 248.330 1.380 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897452417 583985809 /nfs/dbraw/zinc/98/58/09/583985809.db2.gz WYVPXWKARCTXBL-GHMZBOCLSA-N 1 2 248.330 1.380 20 0 BDADLO CCc1nc(N[C@@H]2COC[C@H]2C2CC2)cc[nH+]1 ZINC000897451448 583986003 /nfs/dbraw/zinc/98/60/03/583986003.db2.gz NAVVYEPDNACULF-WDEREUQCSA-N 1 2 233.315 1.876 20 0 BDADLO Cc1nc(N[C@H]2COC[C@@H]2C2CC2)cc[nH+]1 ZINC000897446283 583986560 /nfs/dbraw/zinc/98/65/60/583986560.db2.gz DJUJLBRNPPLSCA-MNOVXSKESA-N 1 2 219.288 1.622 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(C2CC2)CC1 ZINC000897449332 583987036 /nfs/dbraw/zinc/98/70/36/583987036.db2.gz UUJHUMDJNWHZHZ-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO CCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000864429462 584004267 /nfs/dbraw/zinc/00/42/67/584004267.db2.gz SHTZKEXCCIWQBU-UHFFFAOYSA-N 1 2 234.303 1.063 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2F)C[C@H]1O ZINC000897678783 584036456 /nfs/dbraw/zinc/03/64/56/584036456.db2.gz FDKDDUNAYFWEOI-OIBJUYFYSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)C[C@H]1O ZINC000897678783 584036457 /nfs/dbraw/zinc/03/64/57/584036457.db2.gz FDKDDUNAYFWEOI-OIBJUYFYSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2F)C[C@H]1O ZINC000897680794 584038651 /nfs/dbraw/zinc/03/86/51/584038651.db2.gz WDHQLEFTTZZDKE-VXNVDRBHSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2F)C[C@H]1O ZINC000897680794 584038652 /nfs/dbraw/zinc/03/86/52/584038652.db2.gz WDHQLEFTTZZDKE-VXNVDRBHSA-N 1 2 244.697 1.687 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2ccoc2)C1 ZINC000897786259 584048426 /nfs/dbraw/zinc/04/84/26/584048426.db2.gz LPBWUZWTMRGXFH-UHFFFAOYSA-N 1 2 220.272 1.086 20 0 BDADLO CCC[C@@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000897834298 584052461 /nfs/dbraw/zinc/05/24/61/584052461.db2.gz MHACNQBSAQUIQK-PWSUYJOCSA-N 1 2 231.336 1.733 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000897834480 584052748 /nfs/dbraw/zinc/05/27/48/584052748.db2.gz QJINIEVGHHWKPA-TUAOUCFPSA-N 1 2 243.347 1.875 20 0 BDADLO c1cc(NCc2c[nH+]c[nH]2)n([C@@H]2CCCOC2)n1 ZINC000898091602 584082537 /nfs/dbraw/zinc/08/25/37/584082537.db2.gz WZDCNEAHFJIMNT-LLVKDONJSA-N 1 2 247.302 1.570 20 0 BDADLO c1cc(NCc2c[nH]c[nH+]2)n([C@@H]2CCCOC2)n1 ZINC000898091602 584082539 /nfs/dbraw/zinc/08/25/39/584082539.db2.gz WZDCNEAHFJIMNT-LLVKDONJSA-N 1 2 247.302 1.570 20 0 BDADLO CSc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898188140 584094256 /nfs/dbraw/zinc/09/42/56/584094256.db2.gz KNIMPZBYJQWLPB-VHSXEESVSA-N 1 2 245.319 1.906 20 0 BDADLO CSc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898188140 584094257 /nfs/dbraw/zinc/09/42/57/584094257.db2.gz KNIMPZBYJQWLPB-VHSXEESVSA-N 1 2 245.319 1.906 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186913 584094487 /nfs/dbraw/zinc/09/44/87/584094487.db2.gz CPNVXQXBRMTZKX-MNOVXSKESA-N 1 2 213.252 1.493 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186913 584094488 /nfs/dbraw/zinc/09/44/88/584094488.db2.gz CPNVXQXBRMTZKX-MNOVXSKESA-N 1 2 213.252 1.493 20 0 BDADLO O[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C[C@H]1F ZINC000898188638 584094730 /nfs/dbraw/zinc/09/47/30/584094730.db2.gz SIKZNAGTWDGCED-VXGBXAGGSA-N 1 2 249.289 1.239 20 0 BDADLO COc1ccccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898192330 584095556 /nfs/dbraw/zinc/09/55/56/584095556.db2.gz DNRBCIXGXOULOW-RYUDHWBXSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898192330 584095557 /nfs/dbraw/zinc/09/55/57/584095557.db2.gz DNRBCIXGXOULOW-RYUDHWBXSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898192329 584095713 /nfs/dbraw/zinc/09/57/13/584095713.db2.gz DNRBCIXGXOULOW-NWDGAFQWSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898192329 584095714 /nfs/dbraw/zinc/09/57/14/584095714.db2.gz DNRBCIXGXOULOW-NWDGAFQWSA-N 1 2 239.290 1.600 20 0 BDADLO C[C@H]([NH2+]CC[C@@H](O)C1CC1)C(=O)OC(C)(C)C ZINC000898198535 584098495 /nfs/dbraw/zinc/09/84/95/584098495.db2.gz DTFOQXBVSZENEJ-GXSJLCMTSA-N 1 2 243.347 1.467 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@@H]3C[C@@H]32)c1 ZINC000898616006 584146846 /nfs/dbraw/zinc/14/68/46/584146846.db2.gz TUZNQWHFOUHMPN-KOLCDFICSA-N 1 2 234.303 1.114 20 0 BDADLO CC1=CCCN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898622962 584147966 /nfs/dbraw/zinc/14/79/66/584147966.db2.gz XUORDZDDRZUDMC-UHFFFAOYSA-N 1 2 234.303 1.282 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898809972 584159980 /nfs/dbraw/zinc/15/99/80/584159980.db2.gz GERGHSNGLDPDIE-IIRVCBMXSA-N 1 2 245.326 1.736 20 0 BDADLO CC(C)(CNC(=O)c1ccc[nH]1)n1cc[nH+]c1 ZINC000898900473 584165009 /nfs/dbraw/zinc/16/50/09/584165009.db2.gz YCNIQGXHQAJTRK-UHFFFAOYSA-N 1 2 232.287 1.376 20 0 BDADLO C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)C1CC1 ZINC000898904354 584165293 /nfs/dbraw/zinc/16/52/93/584165293.db2.gz UTLVGRJROGJKME-JTQLQIEISA-N 1 2 235.331 1.781 20 0 BDADLO CCCOCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901971 584165364 /nfs/dbraw/zinc/16/53/64/584165364.db2.gz REAAVAOYPRYDSU-UHFFFAOYSA-N 1 2 239.319 1.161 20 0 BDADLO CCC1(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898904025 584165510 /nfs/dbraw/zinc/16/55/10/584165510.db2.gz OFCNNRZOTLMWNY-UHFFFAOYSA-N 1 2 235.331 1.925 20 0 BDADLO C[C@@H]1C[C@H](Nc2nccnc2F)c2[nH+]ccn21 ZINC000858563545 588966315 /nfs/dbraw/zinc/96/63/15/588966315.db2.gz XAGJTVKSYLPXPB-SFYZADRCSA-N 1 2 233.250 1.930 20 0 BDADLO C/C(=C\C(=O)NCC(C)C)C[NH+]1CCOCC1 ZINC000899925397 584255603 /nfs/dbraw/zinc/25/56/03/584255603.db2.gz LSPQAOWTPNTAJQ-XYOKQWHBSA-N 1 2 240.347 1.037 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1C ZINC000899934376 584257930 /nfs/dbraw/zinc/25/79/30/584257930.db2.gz DPAKKKHASQWXIG-JFGNBEQYSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000899934376 584257931 /nfs/dbraw/zinc/25/79/31/584257931.db2.gz DPAKKKHASQWXIG-JFGNBEQYSA-N 1 2 235.331 1.893 20 0 BDADLO CCONC(=O)c1ccc(C)[nH+]c1NC ZINC000900075685 584269234 /nfs/dbraw/zinc/26/92/34/584269234.db2.gz BTWDBOOAMRLHFI-UHFFFAOYSA-N 1 2 209.249 1.113 20 0 BDADLO C/C(=C\C(=O)N(C)C(C)C)C[NH+]1CCOCC1 ZINC000900117704 584274981 /nfs/dbraw/zinc/27/49/81/584274981.db2.gz JIINSWYQFBAVEU-FMIVXFBMSA-N 1 2 240.347 1.132 20 0 BDADLO C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900118373 584274999 /nfs/dbraw/zinc/27/49/99/584274999.db2.gz FZRVJOVLPQKGEE-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccsc1 ZINC000900158010 584280556 /nfs/dbraw/zinc/28/05/56/584280556.db2.gz KQFNBWRLJNBUPB-UHFFFAOYSA-N 1 2 235.312 1.373 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCc1ccsc1 ZINC000900158010 584280557 /nfs/dbraw/zinc/28/05/57/584280557.db2.gz KQFNBWRLJNBUPB-UHFFFAOYSA-N 1 2 235.312 1.373 20 0 BDADLO C[C@@H](Nc1nccnc1F)c1[nH+]ccn1C ZINC000858635204 588972315 /nfs/dbraw/zinc/97/23/15/588972315.db2.gz XWMWIXAQWFAKHU-SSDOTTSWSA-N 1 2 221.239 1.522 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000900368240 584297893 /nfs/dbraw/zinc/29/78/93/584297893.db2.gz BGYRHOUQXDHWLL-OLZOCXBDSA-N 1 2 241.294 1.625 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000900368240 584297894 /nfs/dbraw/zinc/29/78/94/584297894.db2.gz BGYRHOUQXDHWLL-OLZOCXBDSA-N 1 2 241.294 1.625 20 0 BDADLO CCN(CC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900455794 584313779 /nfs/dbraw/zinc/31/37/79/584313779.db2.gz CVOXTYIKVMXSCX-UHFFFAOYSA-N 1 2 235.209 1.363 20 0 BDADLO CC(C)N(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900552740 584322340 /nfs/dbraw/zinc/32/23/40/584322340.db2.gz LVVQZNGEVSKYDD-UHFFFAOYSA-N 1 2 207.277 1.352 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCCOCC1CC1 ZINC000900625818 584333336 /nfs/dbraw/zinc/33/33/36/584333336.db2.gz GICWYZLAUGPGKD-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO CCN(CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900673681 584340001 /nfs/dbraw/zinc/34/00/01/584340001.db2.gz FEYPLTJNPHXFOI-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000900722514 584344835 /nfs/dbraw/zinc/34/48/35/584344835.db2.gz JKUZYWOFYBWAPK-VIFPVBQESA-N 1 2 223.320 1.751 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000900722514 584344836 /nfs/dbraw/zinc/34/48/36/584344836.db2.gz JKUZYWOFYBWAPK-VIFPVBQESA-N 1 2 223.320 1.751 20 0 BDADLO O=C(CCF)NCCCNc1cccc[nH+]1 ZINC000900754998 584345348 /nfs/dbraw/zinc/34/53/48/584345348.db2.gz MDQFFPMQPYYNLO-UHFFFAOYSA-N 1 2 225.267 1.359 20 0 BDADLO CSCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900762944 584347866 /nfs/dbraw/zinc/34/78/66/584347866.db2.gz HQNBZLIVNMLIIV-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CSCC[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900762944 584347867 /nfs/dbraw/zinc/34/78/67/584347867.db2.gz HQNBZLIVNMLIIV-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO Cc1nn(C)cc1NC(=O)CNc1cccc[nH+]1 ZINC000900813648 584354292 /nfs/dbraw/zinc/35/42/92/584354292.db2.gz KHINAVIVBSIXTD-UHFFFAOYSA-N 1 2 245.286 1.174 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000900849464 584357380 /nfs/dbraw/zinc/35/73/80/584357380.db2.gz YUJLXBKGNXTYHO-CMPLNLGQSA-N 1 2 233.315 1.743 20 0 BDADLO CCSCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900894151 584361932 /nfs/dbraw/zinc/36/19/32/584361932.db2.gz CJRVPWVJFLSYMC-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO CCSCC[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900894151 584361933 /nfs/dbraw/zinc/36/19/33/584361933.db2.gz CJRVPWVJFLSYMC-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000901068449 584378109 /nfs/dbraw/zinc/37/81/09/584378109.db2.gz ZIHNDBIVJCAAHB-UTUOFQBUSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000901068449 584378110 /nfs/dbraw/zinc/37/81/10/584378110.db2.gz ZIHNDBIVJCAAHB-UTUOFQBUSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1C(=O)CNc1cccc[nH+]1 ZINC000901099132 584385308 /nfs/dbraw/zinc/38/53/08/584385308.db2.gz ABFDRUISETYIFR-MNOVXSKESA-N 1 2 249.314 1.129 20 0 BDADLO C/C(Cl)=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000901120257 584386692 /nfs/dbraw/zinc/38/66/92/584386692.db2.gz YZVJCHXEPGRKBB-NTMALXAHSA-N 1 2 241.722 1.874 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCOC2(CCCC2)C1 ZINC000901104341 584388544 /nfs/dbraw/zinc/38/85/44/584388544.db2.gz MUCDOPDEDODWLN-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CC1(NC(=O)CNc2cccc[nH+]2)CCC1 ZINC000901205966 584399738 /nfs/dbraw/zinc/39/97/38/584399738.db2.gz AMEDTLIUIVXFCW-UHFFFAOYSA-N 1 2 219.288 1.552 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCOCC12CCCC2 ZINC000901255191 584416148 /nfs/dbraw/zinc/41/61/48/584416148.db2.gz KXJBHUWVYQMXSZ-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCc1cccs1 ZINC000901288720 584422804 /nfs/dbraw/zinc/42/28/04/584422804.db2.gz CIHYRRJJSCSMSZ-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCCc1cccs1 ZINC000901288720 584422805 /nfs/dbraw/zinc/42/28/05/584422805.db2.gz CIHYRRJJSCSMSZ-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO O=C([O-])C[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000901975545 584509472 /nfs/dbraw/zinc/50/94/72/584509472.db2.gz QLMPFXOCHNXPLF-UHFFFAOYSA-N 1 2 245.282 1.383 20 0 BDADLO O=C([O-])C[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000901975545 584509473 /nfs/dbraw/zinc/50/94/73/584509473.db2.gz QLMPFXOCHNXPLF-UHFFFAOYSA-N 1 2 245.282 1.383 20 0 BDADLO O=C1[C@@H]2C[C@@H]2CN1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000902057203 584515508 /nfs/dbraw/zinc/51/55/08/584515508.db2.gz JSFZDPKTTSRGAR-MGPQQGTHSA-N 1 2 242.322 1.869 20 0 BDADLO O=C1[C@@H]2C[C@@H]2CN1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000902057203 584515509 /nfs/dbraw/zinc/51/55/09/584515509.db2.gz JSFZDPKTTSRGAR-MGPQQGTHSA-N 1 2 242.322 1.869 20 0 BDADLO Cc1nnc(NCc2[nH+]ccn2C2CC2)o1 ZINC000902038646 584515646 /nfs/dbraw/zinc/51/56/46/584515646.db2.gz YBIXBQJWDHSOGF-UHFFFAOYSA-N 1 2 219.248 1.522 20 0 BDADLO Cc1[nH]c(CNc2nc3ccccn3n2)[nH+]c1C ZINC000902068072 584519003 /nfs/dbraw/zinc/51/90/03/584519003.db2.gz PEENOAVNZCJAMM-UHFFFAOYSA-N 1 2 242.286 1.681 20 0 BDADLO CCn1c[nH+]c(CNCc2csc(C)n2)c1 ZINC000902078010 584520484 /nfs/dbraw/zinc/52/04/84/584520484.db2.gz ZFJLKGNNMLYOSV-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1cnc(C[NH2+]Cc2c[nH]nc2C)c1 ZINC000902063944 584522410 /nfs/dbraw/zinc/52/24/10/584522410.db2.gz NKUGEZYOBQDLFG-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO Cc1conc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000902064359 584522554 /nfs/dbraw/zinc/52/25/54/584522554.db2.gz HBQLMHNQYLWDPC-UHFFFAOYSA-N 1 2 206.249 1.935 20 0 BDADLO Cc1nc(NCc2[nH]c(C)c(C)[nH+]2)nn1C ZINC000902098631 584525151 /nfs/dbraw/zinc/52/51/51/584525151.db2.gz XNYVCJSXGIUPEG-UHFFFAOYSA-N 1 2 220.280 1.076 20 0 BDADLO Cc1nc(NCc2nccn2C2CC2)cc[nH+]1 ZINC000902126106 584529024 /nfs/dbraw/zinc/52/90/24/584529024.db2.gz DIDQBCVSKSGWFP-UHFFFAOYSA-N 1 2 229.287 1.929 20 0 BDADLO CNc1ccccc1C[NH2+][C@@H](C)c1nncn1C ZINC000902194895 584536562 /nfs/dbraw/zinc/53/65/62/584536562.db2.gz KSFRSXDHHNHPEN-JTQLQIEISA-N 1 2 245.330 1.708 20 0 BDADLO Cc1cc(NCc2cn(C)nc2Cl)nc[nH+]1 ZINC000902197130 584536569 /nfs/dbraw/zinc/53/65/69/584536569.db2.gz WLEWYOAFKDMMOS-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO CC(C)(C)C(=O)NOCc1ccc(N)[nH+]c1 ZINC000902240751 584541030 /nfs/dbraw/zinc/54/10/30/584541030.db2.gz UMTCSYOOHRPDEQ-UHFFFAOYSA-N 1 2 223.276 1.258 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OCCOC1CC1 ZINC000902215826 584543738 /nfs/dbraw/zinc/54/37/38/584543738.db2.gz YKIOWFGQKZJDFA-UHFFFAOYSA-N 1 2 234.299 1.907 20 0 BDADLO CO[C@@H](C)C[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902266562 584549325 /nfs/dbraw/zinc/54/93/25/584549325.db2.gz SBGZIGOWRMVLOX-NSHDSACASA-N 1 2 248.326 1.567 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902266562 584549326 /nfs/dbraw/zinc/54/93/26/584549326.db2.gz SBGZIGOWRMVLOX-NSHDSACASA-N 1 2 248.326 1.567 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccnc(F)c2)cn1 ZINC000859054157 588994603 /nfs/dbraw/zinc/99/46/03/588994603.db2.gz UZXUGCIDBWUAAI-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccnc(F)c2)cn1 ZINC000859054157 588994604 /nfs/dbraw/zinc/99/46/04/588994604.db2.gz UZXUGCIDBWUAAI-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO CN(C)c1ccc(CONC(=O)C2CC2)c[nH+]1 ZINC000902441845 584597655 /nfs/dbraw/zinc/59/76/55/584597655.db2.gz UEAOSRNXTAXMFJ-UHFFFAOYSA-N 1 2 235.287 1.105 20 0 BDADLO C[C@H]([NH2+]Cc1csc(N)n1)c1ccnn1C ZINC000902500802 584619727 /nfs/dbraw/zinc/61/97/27/584619727.db2.gz WVUDAJTVFVCLHS-ZETCQYMHSA-N 1 2 237.332 1.310 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)OCCF ZINC000859093828 589000618 /nfs/dbraw/zinc/00/06/18/589000618.db2.gz WNXHLJBFARGIRI-UHFFFAOYSA-N 1 2 229.255 1.359 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(=O)[nH]2)C1 ZINC000902568418 584633967 /nfs/dbraw/zinc/63/39/67/584633967.db2.gz CTNKLCKFAZCKEQ-JTQLQIEISA-N 1 2 249.314 1.045 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(=O)[nH]2)C1 ZINC000902568418 584633968 /nfs/dbraw/zinc/63/39/68/584633968.db2.gz CTNKLCKFAZCKEQ-JTQLQIEISA-N 1 2 249.314 1.045 20 0 BDADLO CCn1c[nH+]c(CNc2ccc(CCO)nc2)c1 ZINC000902563082 584634677 /nfs/dbraw/zinc/63/46/77/584634677.db2.gz YCWJFANBJMFTOJ-UHFFFAOYSA-N 1 2 246.314 1.445 20 0 BDADLO COC(=O)c1nn(Cc2ccc(N)[nH+]c2)cc1C ZINC000902601532 584641023 /nfs/dbraw/zinc/64/10/23/584641023.db2.gz SQFVKZGVSBNDHZ-UHFFFAOYSA-N 1 2 246.270 1.004 20 0 BDADLO CCc1cc(NCc2cn(CC)c[nH+]2)nn1C ZINC000902601258 584641172 /nfs/dbraw/zinc/64/11/72/584641172.db2.gz LQQKWSIZNKVNPH-UHFFFAOYSA-N 1 2 233.319 1.811 20 0 BDADLO CNc1ccccc1C[NH2+]Cc1cnn[nH]1 ZINC000902622288 584644975 /nfs/dbraw/zinc/64/49/75/584644975.db2.gz LIWUBFXLIKVWJA-UHFFFAOYSA-N 1 2 217.276 1.136 20 0 BDADLO CCn1c[nH+]c(CNc2cc(OC)n[nH]2)c1 ZINC000902625084 584645998 /nfs/dbraw/zinc/64/59/98/584645998.db2.gz VRIPMILOVDAOMG-UHFFFAOYSA-N 1 2 221.264 1.247 20 0 BDADLO Cc1cn(C)nc1CO[NH+]=C(N)COC(C)C ZINC000902701244 584658377 /nfs/dbraw/zinc/65/83/77/584658377.db2.gz FPFVTFUGWKWZPP-UHFFFAOYSA-N 1 2 240.307 1.152 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)OC2COC2)c2[nH+]ccn21 ZINC000902943872 584696311 /nfs/dbraw/zinc/69/63/11/584696311.db2.gz WATKZDMZBFVWLM-IONNQARKSA-N 1 2 237.259 1.014 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CCCC1 ZINC000902941360 584702015 /nfs/dbraw/zinc/70/20/15/584702015.db2.gz TXIVPTYYUCMPCF-SECBINFHSA-N 1 2 220.276 1.133 20 0 BDADLO O=S1(=O)CCC[C@@H](C[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902992125 584710362 /nfs/dbraw/zinc/71/03/62/584710362.db2.gz HLXNHMQLUMVHIZ-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CCC[C@@H](C[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902992125 584710363 /nfs/dbraw/zinc/71/03/63/584710363.db2.gz HLXNHMQLUMVHIZ-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902996572 584714458 /nfs/dbraw/zinc/71/44/58/584714458.db2.gz VRPFZDKPLHKNMH-NXEZZACHSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](F)C1 ZINC000902996572 584714459 /nfs/dbraw/zinc/71/44/59/584714459.db2.gz VRPFZDKPLHKNMH-NXEZZACHSA-N 1 2 209.268 1.972 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001112 584715404 /nfs/dbraw/zinc/71/54/04/584715404.db2.gz KGKFQSKEGANDHH-GARJFASQSA-N 1 2 230.327 1.724 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001112 584715405 /nfs/dbraw/zinc/71/54/05/584715405.db2.gz KGKFQSKEGANDHH-GARJFASQSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@@H]([NH2+]CC(C)(C)F)c1cn(C)nn1 ZINC000903070651 584726299 /nfs/dbraw/zinc/72/62/99/584726299.db2.gz BSQPRDXDKPECDK-SSDOTTSWSA-N 1 2 200.261 1.214 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@H](C)c1ccco1 ZINC000903336156 584751415 /nfs/dbraw/zinc/75/14/15/584751415.db2.gz IVWWSGIFROQBKA-SECBINFHSA-N 1 2 235.287 1.873 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@H](C)c1nccn1C ZINC000903339608 584752378 /nfs/dbraw/zinc/75/23/78/584752378.db2.gz ZQBIYXGKZVBXKB-SECBINFHSA-N 1 2 249.318 1.013 20 0 BDADLO COc1nn(C)cc1CN[C@H](C)c1[nH+]ccn1C ZINC000903339608 584752379 /nfs/dbraw/zinc/75/23/79/584752379.db2.gz ZQBIYXGKZVBXKB-SECBINFHSA-N 1 2 249.318 1.013 20 0 BDADLO Cc1cc([C@@H](C)NCc2cn(C)c[nH+]2)nn1C ZINC000903351374 584755253 /nfs/dbraw/zinc/75/52/53/584755253.db2.gz KGTVNNYQZHTTIK-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)cn2)nn1C ZINC000903351374 584755255 /nfs/dbraw/zinc/75/52/55/584755255.db2.gz KGTVNNYQZHTTIK-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO CCCOC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000859138512 589008227 /nfs/dbraw/zinc/00/82/27/589008227.db2.gz HZXBCJVHKYOCLP-NSHDSACASA-N 1 2 244.335 1.186 20 0 BDADLO C[C@@H]([NH2+]C/C=C/Cl)c1cnn(C)n1 ZINC000903443912 584768838 /nfs/dbraw/zinc/76/88/38/584768838.db2.gz LRRHLHFPVPWSGT-KGGZQZJCSA-N 1 2 200.673 1.218 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859142400 589008523 /nfs/dbraw/zinc/00/85/23/589008523.db2.gz CVUHPZDXOKFMRC-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnc(F)c1 ZINC000859142400 589008525 /nfs/dbraw/zinc/00/85/25/589008525.db2.gz CVUHPZDXOKFMRC-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000903705206 584791014 /nfs/dbraw/zinc/79/10/14/584791014.db2.gz KAKWDVLRBSYGAN-JTQLQIEISA-N 1 2 247.298 1.535 20 0 BDADLO CCCCN(O)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000904188564 584848540 /nfs/dbraw/zinc/84/85/40/584848540.db2.gz FANZBFMYXFRMIG-SECBINFHSA-N 1 2 238.291 1.529 20 0 BDADLO CCCCN(O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000904193869 584849895 /nfs/dbraw/zinc/84/98/95/584849895.db2.gz XPWHJHVOQAHMPA-UHFFFAOYSA-N 1 2 240.307 1.164 20 0 BDADLO CCc1nc(SCc2[nH]c(C)[nH+]c2C)n[nH]1 ZINC000904220569 584853171 /nfs/dbraw/zinc/85/31/71/584853171.db2.gz CXWWHDBJXIWUJD-UHFFFAOYSA-N 1 2 237.332 1.999 20 0 BDADLO CCc1nnc(SCc2[nH]c(C)[nH+]c2C)[nH]1 ZINC000904220569 584853172 /nfs/dbraw/zinc/85/31/72/584853172.db2.gz CXWWHDBJXIWUJD-UHFFFAOYSA-N 1 2 237.332 1.999 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2CCCO2)n1 ZINC000904269453 584858411 /nfs/dbraw/zinc/85/84/11/584858411.db2.gz GSYWOKNOYPZKGL-SECBINFHSA-N 1 2 246.270 1.874 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2CCCO2)n1 ZINC000904258609 584859408 /nfs/dbraw/zinc/85/94/08/584859408.db2.gz PSYVINNWIBBROR-SECBINFHSA-N 1 2 246.270 1.874 20 0 BDADLO CCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272964 584859609 /nfs/dbraw/zinc/85/96/09/584859609.db2.gz NSHNNKWHBDLWJO-UHFFFAOYSA-N 1 2 218.260 1.975 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC12CCC2 ZINC000874783189 584883546 /nfs/dbraw/zinc/88/35/46/584883546.db2.gz JTSMUQAVUBDBQH-SNVBAGLBSA-N 1 2 219.288 1.332 20 0 BDADLO CCn1ncc(NC(=O)Cc2[nH]c[nH+]c2C)c1C ZINC000874815383 584883724 /nfs/dbraw/zinc/88/37/24/584883724.db2.gz WHHZBPFDNYVYNA-UHFFFAOYSA-N 1 2 247.302 1.424 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761082449 584909168 /nfs/dbraw/zinc/90/91/68/584909168.db2.gz HNXDRABQZSAXDJ-WDEREUQCSA-N 1 2 248.330 1.070 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761082449 584909169 /nfs/dbraw/zinc/90/91/69/584909169.db2.gz HNXDRABQZSAXDJ-WDEREUQCSA-N 1 2 248.330 1.070 20 0 BDADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1nccn1C ZINC000186517751 584912189 /nfs/dbraw/zinc/91/21/89/584912189.db2.gz GERGOCBMHVDYNF-WDEREUQCSA-N 1 2 249.314 1.787 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccnc(N(C)C)c2)[C@H]1C ZINC000754096728 584912961 /nfs/dbraw/zinc/91/29/61/584912961.db2.gz CXRWTBRENWUFHB-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccnc(N(C)C)c2)[C@H]1C ZINC000754096728 584912962 /nfs/dbraw/zinc/91/29/62/584912962.db2.gz CXRWTBRENWUFHB-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO NC(Cc1cccs1)=[NH+]OCc1ccno1 ZINC000731029564 584920942 /nfs/dbraw/zinc/92/09/42/584920942.db2.gz WVWIXOROBBZLCP-UHFFFAOYSA-N 1 2 237.284 1.977 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000788046371 584938512 /nfs/dbraw/zinc/93/85/12/584938512.db2.gz HXHUTBMTCLIFJX-ITGUQSILSA-N 1 2 248.326 1.942 20 0 BDADLO CCC[C@@H](OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000837798119 584938848 /nfs/dbraw/zinc/93/88/48/584938848.db2.gz XNBUCWBTJUPLQB-SNVBAGLBSA-N 1 2 238.287 1.522 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)C ZINC000788047401 584939309 /nfs/dbraw/zinc/93/93/09/584939309.db2.gz ONKNTDPEJMSSKG-UHFFFAOYSA-N 1 2 210.277 1.552 20 0 BDADLO Cc1nonc1C[NH+]1CCC(OC(C)C)CC1 ZINC000734149017 584957814 /nfs/dbraw/zinc/95/78/14/584957814.db2.gz UGKVYJBJOQVDOZ-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO c1cn(-c2cc(N3C[C@@H]4C[C@@H]4C3)ncn2)c[nH+]1 ZINC000884588774 584958951 /nfs/dbraw/zinc/95/89/51/584958951.db2.gz MVAUSMGXXACSCT-AOOOYVTPSA-N 1 2 227.271 1.118 20 0 BDADLO Cc1nc(N2CC[C@@H]([C@@H]3CCCO3)C2)cc[nH+]1 ZINC000884731858 584963073 /nfs/dbraw/zinc/96/30/73/584963073.db2.gz GSUHLJCGCCVLHF-NEPJUHHUSA-N 1 2 233.315 1.790 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cnn[nH]1 ZINC000734538222 584963732 /nfs/dbraw/zinc/96/37/32/584963732.db2.gz MODKSNUDUIBWAX-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cnn[nH]1 ZINC000734538222 584963733 /nfs/dbraw/zinc/96/37/33/584963733.db2.gz MODKSNUDUIBWAX-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]nn1 ZINC000734538222 584963734 /nfs/dbraw/zinc/96/37/34/584963734.db2.gz MODKSNUDUIBWAX-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]nn1 ZINC000734538222 584963735 /nfs/dbraw/zinc/96/37/35/584963735.db2.gz MODKSNUDUIBWAX-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn[nH]n1 ZINC000734539831 584963775 /nfs/dbraw/zinc/96/37/75/584963775.db2.gz TYKFODDUYUVYIJ-SECBINFHSA-N 1 2 217.276 1.183 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn[nH]n1 ZINC000734539831 584963776 /nfs/dbraw/zinc/96/37/76/584963776.db2.gz TYKFODDUYUVYIJ-SECBINFHSA-N 1 2 217.276 1.183 20 0 BDADLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ncc[nH]1 ZINC000734851685 584968947 /nfs/dbraw/zinc/96/89/47/584968947.db2.gz GHSOGDCCGQXZSW-LLVKDONJSA-N 1 2 243.314 1.675 20 0 BDADLO CC(C)CNC(=S)N[C@@H]1CCn2cc[nH+]c21 ZINC000840771423 584981248 /nfs/dbraw/zinc/98/12/48/584981248.db2.gz JHNYKWRIOPDSAU-SECBINFHSA-N 1 2 238.360 1.448 20 0 BDADLO COCC(C)(C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819780385 585007602 /nfs/dbraw/zinc/00/76/02/585007602.db2.gz GGAFSJUGJQYUEN-QMMMGPOBSA-N 1 2 244.360 1.657 20 0 BDADLO O=C([O-])C1([NH2+]CCCn2cc[nH+]c2)CCCC1 ZINC000821483523 585016417 /nfs/dbraw/zinc/01/64/17/585016417.db2.gz HSVCUTWHKDKCOG-UHFFFAOYSA-N 1 2 237.303 1.260 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CC2=CCCCC2)c1 ZINC000890113840 585024035 /nfs/dbraw/zinc/02/40/35/585024035.db2.gz QUHUOROQECADSX-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113382 585024049 /nfs/dbraw/zinc/02/40/49/585024049.db2.gz BFRQTKYSOHCDEB-MRVPVSSYSA-N 1 2 227.333 1.035 20 0 BDADLO C[C@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C(F)(F)F ZINC000823220770 585028073 /nfs/dbraw/zinc/02/80/73/585028073.db2.gz IWWQAEFIZWPRPM-SDLBARTOSA-N 1 2 247.220 1.500 20 0 BDADLO CC/C(C)=C\C(=O)OCC[NH+]1CCOCC1 ZINC000838040549 585043209 /nfs/dbraw/zinc/04/32/09/585043209.db2.gz KUNINPCWCSBESA-KHPPLWFESA-N 1 2 227.304 1.218 20 0 BDADLO Nc1cc(COC(=O)/C=C\[C@H]2CCOC2)cc[nH+]1 ZINC000838044167 585043569 /nfs/dbraw/zinc/04/35/69/585043569.db2.gz NDNKZFXVBCCXRZ-SYBPUXJVSA-N 1 2 248.282 1.300 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859201948 589018350 /nfs/dbraw/zinc/01/83/50/589018350.db2.gz PMGKSZRJWPMIQJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859201948 589018352 /nfs/dbraw/zinc/01/83/52/589018352.db2.gz PMGKSZRJWPMIQJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H](C(=O)OCCc1c[nH+]cn1C)C1CCC1 ZINC000838388072 585055789 /nfs/dbraw/zinc/05/57/89/585055789.db2.gz YWKOPLOKDPLHEJ-JTQLQIEISA-N 1 2 236.315 1.942 20 0 BDADLO CC(C)C1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000838640419 585064129 /nfs/dbraw/zinc/06/41/29/585064129.db2.gz WSKMUPHFHZMOPG-NSHDSACASA-N 1 2 248.330 1.625 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000838848674 585074672 /nfs/dbraw/zinc/07/46/72/585074672.db2.gz ALJSKFOVXDWZPM-JQWIXIFHSA-N 1 2 229.320 1.079 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000838904223 585077728 /nfs/dbraw/zinc/07/77/28/585077728.db2.gz JTJIEVFSVUCLKG-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000838904223 585077729 /nfs/dbraw/zinc/07/77/29/585077729.db2.gz JTJIEVFSVUCLKG-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO COc1cc[nH+]cc1NCc1cc(C)on1 ZINC000838981689 585084530 /nfs/dbraw/zinc/08/45/30/585084530.db2.gz ZERSBIJFRVCCAP-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@H](SC)C2)n1 ZINC000839125618 585093089 /nfs/dbraw/zinc/09/30/89/585093089.db2.gz KJEUEUOYUHEOGT-JTQLQIEISA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@H](SC)C2)n1 ZINC000839125618 585093090 /nfs/dbraw/zinc/09/30/90/585093090.db2.gz KJEUEUOYUHEOGT-JTQLQIEISA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[NH+]2CC(C)(CCOC)C2)n1 ZINC000839142390 585094786 /nfs/dbraw/zinc/09/47/86/585094786.db2.gz FJTTZIXHOWNQQZ-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000740860573 585107521 /nfs/dbraw/zinc/10/75/21/585107521.db2.gz QVWBTSYRYPOMQX-GHMZBOCLSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000740860573 585107522 /nfs/dbraw/zinc/10/75/22/585107522.db2.gz QVWBTSYRYPOMQX-GHMZBOCLSA-N 1 2 246.314 1.184 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000741031260 585109623 /nfs/dbraw/zinc/10/96/23/585109623.db2.gz OAZPEGMHSXDXAH-JQWIXIFHSA-N 1 2 241.331 1.772 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(C)=O ZINC000741148036 585110716 /nfs/dbraw/zinc/11/07/16/585110716.db2.gz GPZVUGUVHFNBEZ-QWRGUYRKSA-N 1 2 227.304 1.382 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(C)=O ZINC000741148036 585110717 /nfs/dbraw/zinc/11/07/17/585110717.db2.gz GPZVUGUVHFNBEZ-QWRGUYRKSA-N 1 2 227.304 1.382 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](CCO)C1CC1 ZINC000741776485 585118062 /nfs/dbraw/zinc/11/80/62/585118062.db2.gz JAWISAMNYXDXPZ-SNVBAGLBSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](CCO)C1CC1 ZINC000741776485 585118063 /nfs/dbraw/zinc/11/80/63/585118063.db2.gz JAWISAMNYXDXPZ-SNVBAGLBSA-N 1 2 229.320 1.175 20 0 BDADLO C[C@H]1C[N@H+](CN2C(=O)CC23CCC3)[C@@H](C)CO1 ZINC000743348370 585135732 /nfs/dbraw/zinc/13/57/32/585135732.db2.gz LQZVSOCAJUPZPA-QWRGUYRKSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@H]1C[N@@H+](CN2C(=O)CC23CCC3)[C@@H](C)CO1 ZINC000743348370 585135733 /nfs/dbraw/zinc/13/57/33/585135733.db2.gz LQZVSOCAJUPZPA-QWRGUYRKSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CN1C(=O)CC12CCC2 ZINC000743348368 585135771 /nfs/dbraw/zinc/13/57/71/585135771.db2.gz LQZVSOCAJUPZPA-MNOVXSKESA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CN1C(=O)CC12CCC2 ZINC000743348368 585135772 /nfs/dbraw/zinc/13/57/72/585135772.db2.gz LQZVSOCAJUPZPA-MNOVXSKESA-N 1 2 238.331 1.208 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745084449 585156819 /nfs/dbraw/zinc/15/68/19/585156819.db2.gz UANSKYQBYWSMTA-WDEREUQCSA-N 1 2 241.331 1.772 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745084449 585156820 /nfs/dbraw/zinc/15/68/20/585156820.db2.gz UANSKYQBYWSMTA-WDEREUQCSA-N 1 2 241.331 1.772 20 0 BDADLO Cc1cccnc1SCC[NH+]1CCOCC1 ZINC000804922267 585166124 /nfs/dbraw/zinc/16/61/24/585166124.db2.gz OVFCCYMEVSPGCE-UHFFFAOYSA-N 1 2 238.356 1.814 20 0 BDADLO CCC/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000746244242 585166418 /nfs/dbraw/zinc/16/64/18/585166418.db2.gz BDLZOPHHNNIKJJ-PLNGDYQASA-N 1 2 207.277 1.425 20 0 BDADLO C[C@H]1C[NH+](Cn2ccsc2=O)C[C@H](C)S1 ZINC000746614551 585171021 /nfs/dbraw/zinc/17/10/21/585171021.db2.gz MAYRJIUAEWRGAE-IUCAKERBSA-N 1 2 244.385 1.693 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1nccs1 ZINC000747065143 585174759 /nfs/dbraw/zinc/17/47/59/585174759.db2.gz SCKUVXMQBDHBSL-VIFPVBQESA-N 1 2 240.328 1.671 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1nccs1 ZINC000747065143 585174760 /nfs/dbraw/zinc/17/47/60/585174760.db2.gz SCKUVXMQBDHBSL-VIFPVBQESA-N 1 2 240.328 1.671 20 0 BDADLO CCC/C=C\C(=O)OCC[NH+]1CCOCC1 ZINC000747692811 585182324 /nfs/dbraw/zinc/18/23/24/585182324.db2.gz WVHOSTRKMWPSMT-PLNGDYQASA-N 1 2 227.304 1.218 20 0 BDADLO CC(C)(C)/C=C\C(=O)OCC[NH+]1CCOCC1 ZINC000747699103 585182487 /nfs/dbraw/zinc/18/24/87/585182487.db2.gz ATIXOXUYBVCLPY-PLNGDYQASA-N 1 2 241.331 1.464 20 0 BDADLO Cc1noc(C)c1CC(=O)OCc1c[nH+]cn1C ZINC000747784360 585184161 /nfs/dbraw/zinc/18/41/61/585184161.db2.gz ZPEPMGULDIDXDU-UHFFFAOYSA-N 1 2 249.270 1.311 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1=COCCC1 ZINC000747783910 585184333 /nfs/dbraw/zinc/18/43/33/585184333.db2.gz QNQMCKMCDWKRKE-UHFFFAOYSA-N 1 2 222.244 1.158 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCOC[C@@H]1C ZINC000749510744 585203009 /nfs/dbraw/zinc/20/30/09/585203009.db2.gz KULRJIUCDVFBBE-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCCOC[C@@H]1C ZINC000749510744 585203010 /nfs/dbraw/zinc/20/30/10/585203010.db2.gz KULRJIUCDVFBBE-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@@H](C)NC(=S)NCCn1cc[nH+]c1 ZINC000749755081 585205386 /nfs/dbraw/zinc/20/53/86/585205386.db2.gz BUXZHRYZEILUAB-SECBINFHSA-N 1 2 226.349 1.146 20 0 BDADLO CC[C@H](C)NC(=S)N[C@H](C)Cn1cc[nH+]c1 ZINC000749763106 585205617 /nfs/dbraw/zinc/20/56/17/585205617.db2.gz XCEWFIVIXDINAE-VHSXEESVSA-N 1 2 240.376 1.534 20 0 BDADLO CC[C@@H](C)NC(=S)N[C@H](C)Cn1cc[nH+]c1 ZINC000749763103 585205768 /nfs/dbraw/zinc/20/57/68/585205768.db2.gz XCEWFIVIXDINAE-NXEZZACHSA-N 1 2 240.376 1.534 20 0 BDADLO CCc1cc(NC[C@H](O)c2ccncc2)nc[nH+]1 ZINC000749901710 585208110 /nfs/dbraw/zinc/20/81/10/585208110.db2.gz WKFLTMGIMUWUFT-LBPRGKRZSA-N 1 2 244.298 1.580 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cn1cc(Cl)cn1 ZINC000751947018 585239211 /nfs/dbraw/zinc/23/92/11/585239211.db2.gz MAOMASKMPTZOCN-SNVBAGLBSA-N 1 2 229.711 1.605 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cn1cc(Cl)cn1 ZINC000751947018 585239212 /nfs/dbraw/zinc/23/92/12/585239212.db2.gz MAOMASKMPTZOCN-SNVBAGLBSA-N 1 2 229.711 1.605 20 0 BDADLO CO[C@@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000751943484 585239749 /nfs/dbraw/zinc/23/97/49/585239749.db2.gz YEVBCFAJBCAGPT-SECBINFHSA-N 1 2 215.684 1.215 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000751943484 585239750 /nfs/dbraw/zinc/23/97/50/585239750.db2.gz YEVBCFAJBCAGPT-SECBINFHSA-N 1 2 215.684 1.215 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000751969782 585240069 /nfs/dbraw/zinc/24/00/69/585240069.db2.gz UBFFMMOYEJHSKD-JTQLQIEISA-N 1 2 219.288 1.313 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC12CCC(CC1)C2 ZINC000753135621 585254002 /nfs/dbraw/zinc/25/40/02/585254002.db2.gz KOFAFFFYCBCPCB-UHFFFAOYSA-N 1 2 219.288 1.332 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000753573780 585262433 /nfs/dbraw/zinc/26/24/33/585262433.db2.gz BVUPPXATNKVIIR-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000753723780 585267142 /nfs/dbraw/zinc/26/71/42/585267142.db2.gz PWDLDXXZQUWHOH-YHAQOWFVSA-N 1 2 231.361 1.197 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000753723780 585267143 /nfs/dbraw/zinc/26/71/43/585267143.db2.gz PWDLDXXZQUWHOH-YHAQOWFVSA-N 1 2 231.361 1.197 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCOC1=O ZINC000753783448 585268850 /nfs/dbraw/zinc/26/88/50/585268850.db2.gz DMLWDYLLSMQWDO-LBPRGKRZSA-N 1 2 237.274 1.881 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCOC1=O ZINC000753783448 585268851 /nfs/dbraw/zinc/26/88/51/585268851.db2.gz DMLWDYLLSMQWDO-LBPRGKRZSA-N 1 2 237.274 1.881 20 0 BDADLO C[N@H+](CC[C@@H]1CCOC1=O)CC(F)F ZINC000753846269 585270906 /nfs/dbraw/zinc/27/09/06/585270906.db2.gz XOAGMQIUFUSCJZ-SSDOTTSWSA-N 1 2 207.220 1.137 20 0 BDADLO C[N@@H+](CC[C@@H]1CCOC1=O)CC(F)F ZINC000753846269 585270907 /nfs/dbraw/zinc/27/09/07/585270907.db2.gz XOAGMQIUFUSCJZ-SSDOTTSWSA-N 1 2 207.220 1.137 20 0 BDADLO CCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753894018 585271643 /nfs/dbraw/zinc/27/16/43/585271643.db2.gz DXHLYDPMTHVDFV-PHIMTYICSA-N 1 2 227.304 1.193 20 0 BDADLO CCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753894018 585271644 /nfs/dbraw/zinc/27/16/44/585271644.db2.gz DXHLYDPMTHVDFV-PHIMTYICSA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)=CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896648 585271817 /nfs/dbraw/zinc/27/18/17/585271817.db2.gz YUTGBJQJUBUPSX-TXEJJXNPSA-N 1 2 239.315 1.359 20 0 BDADLO CC(C)=CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896648 585271818 /nfs/dbraw/zinc/27/18/18/585271818.db2.gz YUTGBJQJUBUPSX-TXEJJXNPSA-N 1 2 239.315 1.359 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnc(N(C)C)c2)[C@@H](C)CO1 ZINC000754001100 585274868 /nfs/dbraw/zinc/27/48/68/585274868.db2.gz YFWMKYZWNXPBOD-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)[C@@H](C)CO1 ZINC000754001100 585274869 /nfs/dbraw/zinc/27/48/69/585274869.db2.gz YFWMKYZWNXPBOD-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO CC(C)(C)/C=C/C(=O)NCc1c[nH+]c[nH]1 ZINC000754295013 585282118 /nfs/dbraw/zinc/28/21/18/585282118.db2.gz VLIRZPIVQIFOTA-SNAWJCMRSA-N 1 2 207.277 1.628 20 0 BDADLO CC(C)(C)C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000754295013 585282119 /nfs/dbraw/zinc/28/21/19/585282119.db2.gz VLIRZPIVQIFOTA-SNAWJCMRSA-N 1 2 207.277 1.628 20 0 BDADLO O=C(/C=C\C1CCOCC1)NCc1c[nH+]c[nH]1 ZINC000754295507 585282395 /nfs/dbraw/zinc/28/23/95/585282395.db2.gz XOMQPNCVWMCHII-UPHRSURJSA-N 1 2 235.287 1.009 20 0 BDADLO O=C(C=CC1CCOCC1)NCc1c[nH]c[nH+]1 ZINC000754295507 585282396 /nfs/dbraw/zinc/28/23/96/585282396.db2.gz XOMQPNCVWMCHII-UPHRSURJSA-N 1 2 235.287 1.009 20 0 BDADLO CCO[C@H](CC)C(=O)OCc1c[nH+]cn1C ZINC000754688222 585289302 /nfs/dbraw/zinc/28/93/02/585289302.db2.gz XMDWDAGGTDTAMD-SNVBAGLBSA-N 1 2 226.276 1.278 20 0 BDADLO Cc1c[nH]cc1C(=O)OCc1c[nH+]cn1C ZINC000754686758 585289335 /nfs/dbraw/zinc/28/93/35/585289335.db2.gz KTFBIDDOMWHALG-UHFFFAOYSA-N 1 2 219.244 1.414 20 0 BDADLO CSCCC(=O)OCc1c[nH+]cn1C ZINC000754686468 585289499 /nfs/dbraw/zinc/28/94/99/585289499.db2.gz HBCGDZZMYWMZBO-UHFFFAOYSA-N 1 2 214.290 1.216 20 0 BDADLO CC1=C(C(=O)NCCc2[nH]cc[nH+]2)CCCO1 ZINC000755883893 585309337 /nfs/dbraw/zinc/30/93/37/585309337.db2.gz MQNBHXKOIQJQIK-UHFFFAOYSA-N 1 2 235.287 1.153 20 0 BDADLO CN(C)c1cc(COC(=O)C2(C)CC2)cc[nH+]1 ZINC000755907941 585310089 /nfs/dbraw/zinc/31/00/89/585310089.db2.gz ZZHUSUPPLINEBZ-UHFFFAOYSA-N 1 2 234.299 1.991 20 0 BDADLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)C(=O)C(C)(C)C ZINC000756147413 585315249 /nfs/dbraw/zinc/31/52/49/585315249.db2.gz PTEGXGYLZDGBJK-UWVGGRQHSA-N 1 2 240.347 1.153 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCc2cncs2)CCO1 ZINC000839593431 585331303 /nfs/dbraw/zinc/33/13/03/585331303.db2.gz BKTYEWZJWNJPSX-VIFPVBQESA-N 1 2 248.298 1.652 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCc2cncs2)CCO1 ZINC000839593431 585331304 /nfs/dbraw/zinc/33/13/04/585331304.db2.gz BKTYEWZJWNJPSX-VIFPVBQESA-N 1 2 248.298 1.652 20 0 BDADLO COC(C[N@@H+]1Cc2ccc(C(C)=O)cc2C1)OC ZINC000839633263 585333165 /nfs/dbraw/zinc/33/31/65/585333165.db2.gz QCIBBJPNUHPZGW-UHFFFAOYSA-N 1 2 249.310 1.824 20 0 BDADLO COC(C[N@H+]1Cc2ccc(C(C)=O)cc2C1)OC ZINC000839633263 585333166 /nfs/dbraw/zinc/33/31/66/585333166.db2.gz QCIBBJPNUHPZGW-UHFFFAOYSA-N 1 2 249.310 1.824 20 0 BDADLO CC[N@H+](Cc1occc1C)[C@H]1CCOC1=O ZINC000839660479 585334151 /nfs/dbraw/zinc/33/41/51/585334151.db2.gz HRSFEPDVKBSURI-JTQLQIEISA-N 1 2 223.272 1.725 20 0 BDADLO CC[N@@H+](Cc1occc1C)[C@H]1CCOC1=O ZINC000839660479 585334152 /nfs/dbraw/zinc/33/41/52/585334152.db2.gz HRSFEPDVKBSURI-JTQLQIEISA-N 1 2 223.272 1.725 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(F)(F)C(F)F ZINC000839668399 585334687 /nfs/dbraw/zinc/33/46/87/585334687.db2.gz ATQXXENQZMEZFI-JGVFFNPUSA-N 1 2 243.244 1.980 20 0 BDADLO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(F)(F)C(F)F ZINC000839668399 585334688 /nfs/dbraw/zinc/33/46/88/585334688.db2.gz ATQXXENQZMEZFI-JGVFFNPUSA-N 1 2 243.244 1.980 20 0 BDADLO CC(C)OCC[S@@](=O)Cc1c[nH+]cn1C ZINC000758413379 585355791 /nfs/dbraw/zinc/35/57/91/585355791.db2.gz GUURKJNDMLRCIX-OAHLLOKOSA-N 1 2 230.333 1.094 20 0 BDADLO COC1(C)C[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000759049181 585363869 /nfs/dbraw/zinc/36/38/69/585363869.db2.gz OWSCTFAKQQXHMN-LBPRGKRZSA-N 1 2 239.290 1.580 20 0 BDADLO COC1CN(Cc2c[nH+]c3ccccn23)C1 ZINC000759342458 585369088 /nfs/dbraw/zinc/36/90/88/585369088.db2.gz OXKSZCBAQYBCFR-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO FCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000759346529 585370037 /nfs/dbraw/zinc/37/00/37/585370037.db2.gz ZFSFVPGXISVWEQ-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO FCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000759346529 585370038 /nfs/dbraw/zinc/37/00/38/585370038.db2.gz ZFSFVPGXISVWEQ-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000759347186 585370463 /nfs/dbraw/zinc/37/04/63/585370463.db2.gz KHNAETMXYXJPMZ-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000759347186 585370464 /nfs/dbraw/zinc/37/04/64/585370464.db2.gz KHNAETMXYXJPMZ-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CCCC1(C(=O)NC2=[NH+]CCS2)CC1 ZINC000760305444 585389778 /nfs/dbraw/zinc/38/97/78/585389778.db2.gz QTIYFHXAKWTQTH-UHFFFAOYSA-N 1 2 212.318 1.786 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1ncc(C2CC2)o1 ZINC000760363056 585391454 /nfs/dbraw/zinc/39/14/54/585391454.db2.gz ZBSBDJXGQGXLEY-ZETCQYMHSA-N 1 2 239.275 1.585 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761090462 585408124 /nfs/dbraw/zinc/40/81/24/585408124.db2.gz KGCHPKWXSMNMME-BDAKNGLRSA-N 1 2 221.304 1.961 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761090462 585408125 /nfs/dbraw/zinc/40/81/25/585408125.db2.gz KGCHPKWXSMNMME-BDAKNGLRSA-N 1 2 221.304 1.961 20 0 BDADLO COCC1([N@H+](C)Cc2cscn2)CC1 ZINC000761102291 585409568 /nfs/dbraw/zinc/40/95/68/585409568.db2.gz PTSUKMODPDYCIR-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO COCC1([N@@H+](C)Cc2cscn2)CC1 ZINC000761102291 585409569 /nfs/dbraw/zinc/40/95/69/585409569.db2.gz PTSUKMODPDYCIR-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1SCCS1 ZINC000761154107 585411646 /nfs/dbraw/zinc/41/16/46/585411646.db2.gz BXZQUVVAKPUKAY-UHFFFAOYSA-N 1 2 243.357 1.174 20 0 BDADLO Cc1cccc2c1CC[N@@H+](Cc1cn(C)nn1)C2 ZINC000761659272 585417773 /nfs/dbraw/zinc/41/77/73/585417773.db2.gz VOCQUGXRARLRAW-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc2c1CC[N@H+](Cc1cn(C)nn1)C2 ZINC000761659272 585417774 /nfs/dbraw/zinc/41/77/74/585417774.db2.gz VOCQUGXRARLRAW-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC000761693145 585418157 /nfs/dbraw/zinc/41/81/57/585418157.db2.gz GFMISTIMIMDMLN-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC3(C2)OCCO3)cn1 ZINC000761693145 585418158 /nfs/dbraw/zinc/41/81/58/585418158.db2.gz GFMISTIMIMDMLN-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2=COCC2)n1 ZINC000762411006 585431835 /nfs/dbraw/zinc/43/18/35/585431835.db2.gz LSJTTYKFEFUTHC-UHFFFAOYSA-N 1 2 232.243 1.155 20 0 BDADLO O=C(COc1ccccc1)OCCn1cc[nH+]c1 ZINC000763107955 585443194 /nfs/dbraw/zinc/44/31/94/585443194.db2.gz HRWXMVWAEAQKNV-UHFFFAOYSA-N 1 2 246.266 1.505 20 0 BDADLO C/C=C/C=C\C(=O)OCCn1cc[nH+]c1 ZINC000763115416 585443312 /nfs/dbraw/zinc/44/33/12/585443312.db2.gz NETHMLXTZQAJTE-IAROGAJJSA-N 1 2 206.245 1.559 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)o1 ZINC000763108194 585443323 /nfs/dbraw/zinc/44/33/23/585443323.db2.gz JEUNKZWXLMWQFA-UHFFFAOYSA-N 1 2 220.228 1.642 20 0 BDADLO C[N@H+](C/C(Cl)=C\Cl)[C@]1(CO)CCOC1 ZINC000763891644 585456043 /nfs/dbraw/zinc/45/60/43/585456043.db2.gz QZAQVOMJOMDFMK-SGDMMICCSA-N 1 2 240.130 1.389 20 0 BDADLO C[N@@H+](C/C(Cl)=C\Cl)[C@]1(CO)CCOC1 ZINC000763891644 585456044 /nfs/dbraw/zinc/45/60/44/585456044.db2.gz QZAQVOMJOMDFMK-SGDMMICCSA-N 1 2 240.130 1.389 20 0 BDADLO C[N@H+](C/C(Cl)=C\Cl)[C@@]1(CO)CCOC1 ZINC000763891647 585456280 /nfs/dbraw/zinc/45/62/80/585456280.db2.gz QZAQVOMJOMDFMK-VGANXODHSA-N 1 2 240.130 1.389 20 0 BDADLO C[N@@H+](C/C(Cl)=C\Cl)[C@@]1(CO)CCOC1 ZINC000763891647 585456281 /nfs/dbraw/zinc/45/62/81/585456281.db2.gz QZAQVOMJOMDFMK-VGANXODHSA-N 1 2 240.130 1.389 20 0 BDADLO CC[N@H+](CCc1ccccn1)[C@H](C)C(=O)OC ZINC000764309723 585463582 /nfs/dbraw/zinc/46/35/82/585463582.db2.gz FSEOAWWLRLZMFR-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CC[N@@H+](CCc1ccccn1)[C@H](C)C(=O)OC ZINC000764309723 585463583 /nfs/dbraw/zinc/46/35/83/585463583.db2.gz FSEOAWWLRLZMFR-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OC[C@H](C)CO ZINC000766697520 585505675 /nfs/dbraw/zinc/50/56/75/585505675.db2.gz PXIWBAKSHDBTGM-MRVPVSSYSA-N 1 2 238.287 1.217 20 0 BDADLO C[C@H](CO)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000766714945 585506414 /nfs/dbraw/zinc/50/64/14/585506414.db2.gz UKIUYDJVDWKVIN-SECBINFHSA-N 1 2 234.255 1.120 20 0 BDADLO Cc1nonc1C[NH+]1CCC(C(F)F)CC1 ZINC000767082747 585513619 /nfs/dbraw/zinc/51/36/19/585513619.db2.gz UBNIYWQTUHYWAP-UHFFFAOYSA-N 1 2 231.246 1.855 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)Cc1ccon1 ZINC000767405919 585519372 /nfs/dbraw/zinc/51/93/72/585519372.db2.gz WXCFBSUMUDCQLU-UHFFFAOYSA-N 1 2 208.261 1.476 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)Cc1ccon1 ZINC000767405919 585519373 /nfs/dbraw/zinc/51/93/73/585519373.db2.gz WXCFBSUMUDCQLU-UHFFFAOYSA-N 1 2 208.261 1.476 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnn(C(F)F)c1 ZINC000767896655 585527807 /nfs/dbraw/zinc/52/78/07/585527807.db2.gz WWABWHCOFWZHAB-UHFFFAOYSA-N 1 2 241.201 1.113 20 0 BDADLO Cc1nonc1C[N@H+](C)CCOC(C)(C)C ZINC000767903315 585528273 /nfs/dbraw/zinc/52/82/73/585528273.db2.gz CUAULYRSSURBOX-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1nonc1C[N@@H+](C)CCOC(C)(C)C ZINC000767903315 585528274 /nfs/dbraw/zinc/52/82/74/585528274.db2.gz CUAULYRSSURBOX-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1cc(NC(=O)NOCC(C)C)c(C)c[nH+]1 ZINC000767948844 585528717 /nfs/dbraw/zinc/52/87/17/585528717.db2.gz VJJMILZXMFIPTG-UHFFFAOYSA-N 1 2 237.303 1.829 20 0 BDADLO CC(C)(F)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000768393872 585537970 /nfs/dbraw/zinc/53/79/70/585537970.db2.gz YGOHLHHRVNTMSU-JTQLQIEISA-N 1 2 239.294 1.795 20 0 BDADLO c1ncc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cn1 ZINC000769297021 585552800 /nfs/dbraw/zinc/55/28/00/585552800.db2.gz FUXFNJBKKAIQBX-GFCCVEGCSA-N 1 2 249.314 1.204 20 0 BDADLO c1ncc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cn1 ZINC000769297021 585552801 /nfs/dbraw/zinc/55/28/01/585552801.db2.gz FUXFNJBKKAIQBX-GFCCVEGCSA-N 1 2 249.314 1.204 20 0 BDADLO C[NH+]1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000769352634 585554426 /nfs/dbraw/zinc/55/44/26/585554426.db2.gz FXUXUEZQGAMVGF-GFCCVEGCSA-N 1 2 236.290 1.471 20 0 BDADLO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)OC(C)(C)C ZINC000771800335 585600423 /nfs/dbraw/zinc/60/04/23/585600423.db2.gz DPAWJYSBOWKATP-KOLCDFICSA-N 1 2 243.347 1.467 20 0 BDADLO O=C(C[NH2+][C@H](CO)C1CC1)OCc1ccccc1 ZINC000771803271 585600548 /nfs/dbraw/zinc/60/05/48/585600548.db2.gz BAKPJEYODDFZBG-CYBMUJFWSA-N 1 2 249.310 1.090 20 0 BDADLO COCCCCC(=O)OCCn1cc[nH+]c1 ZINC000771938247 585604840 /nfs/dbraw/zinc/60/48/40/585604840.db2.gz OUZYQTDDDPLDEQ-UHFFFAOYSA-N 1 2 226.276 1.243 20 0 BDADLO O=C(CC1CCOCC1)OCCn1cc[nH+]c1 ZINC000771971411 585605733 /nfs/dbraw/zinc/60/57/33/585605733.db2.gz XWOHJCLFZCPLAZ-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO Cc1cc(C)c(C(=O)OCCn2cc[nH+]c2)o1 ZINC000771993975 585606024 /nfs/dbraw/zinc/60/60/24/585606024.db2.gz NLDPTGKPQZHQJO-UHFFFAOYSA-N 1 2 234.255 1.950 20 0 BDADLO O=C(CC[C@@H]1CCOC1)OCCn1cc[nH+]c1 ZINC000771994502 585606262 /nfs/dbraw/zinc/60/62/62/585606262.db2.gz IYBNSAWFPWXSJF-LLVKDONJSA-N 1 2 238.287 1.243 20 0 BDADLO CO[C@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772037770 585607379 /nfs/dbraw/zinc/60/73/79/585607379.db2.gz FONIROJBDRBKPT-SNVBAGLBSA-N 1 2 223.272 1.777 20 0 BDADLO CS/C=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811755 585624608 /nfs/dbraw/zinc/62/46/08/585624608.db2.gz HJAOXEDPUSQNFQ-LGYSABEFSA-N 1 2 237.328 1.260 20 0 BDADLO CSC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811755 585624609 /nfs/dbraw/zinc/62/46/09/585624609.db2.gz HJAOXEDPUSQNFQ-LGYSABEFSA-N 1 2 237.328 1.260 20 0 BDADLO CCCN(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000772851934 585625350 /nfs/dbraw/zinc/62/53/50/585625350.db2.gz NCZCHRWPRHOSQR-UHFFFAOYSA-N 1 2 238.335 1.667 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H]2C=CCCC2)C1 ZINC000805473603 585625506 /nfs/dbraw/zinc/62/55/06/585625506.db2.gz NPOKZEUUNRRTGT-VXGBXAGGSA-N 1 2 239.315 1.359 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H]2C=CCCC2)C1 ZINC000805473603 585625507 /nfs/dbraw/zinc/62/55/07/585625507.db2.gz NPOKZEUUNRRTGT-VXGBXAGGSA-N 1 2 239.315 1.359 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCCc2c[nH+]cn2C)C1 ZINC000773829632 585644474 /nfs/dbraw/zinc/64/44/74/585644474.db2.gz HPGPXLINUVOFMA-SERMCNLOSA-N 1 2 247.342 1.825 20 0 BDADLO COc1ccc(C[NH+]2CC(O)(C(C)C)C2)nc1 ZINC000773891035 585645795 /nfs/dbraw/zinc/64/57/95/585645795.db2.gz MLEFVZHKISJAPE-UHFFFAOYSA-N 1 2 236.315 1.293 20 0 BDADLO Cc1nn(C)c(C)c1C[NH+]1CC(O)(C(C)C)C1 ZINC000773892243 585645804 /nfs/dbraw/zinc/64/58/04/585645804.db2.gz GDRYADNCLYBZGE-UHFFFAOYSA-N 1 2 237.347 1.240 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(F)cn1 ZINC000774021047 585648647 /nfs/dbraw/zinc/64/86/47/585648647.db2.gz UQUMLXMJXBHEMG-UHFFFAOYSA-N 1 2 248.261 1.111 20 0 BDADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1cnccn1 ZINC000774037654 585648724 /nfs/dbraw/zinc/64/87/24/585648724.db2.gz OKNHIRBSPHVTPI-PWSUYJOCSA-N 1 2 249.314 1.565 20 0 BDADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1cnccn1 ZINC000774037654 585648725 /nfs/dbraw/zinc/64/87/25/585648725.db2.gz OKNHIRBSPHVTPI-PWSUYJOCSA-N 1 2 249.314 1.565 20 0 BDADLO CC(=CC(=O)Nc1cc[nH+]cc1N(C)C)C1CC1 ZINC000774084960 585649898 /nfs/dbraw/zinc/64/98/98/585649898.db2.gz JFBITEXBCBLUQM-NTMALXAHSA-N 1 2 245.326 1.864 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)C1=CCCCO1 ZINC000774102471 585650358 /nfs/dbraw/zinc/65/03/58/585650358.db2.gz ZBNVDPFLIWWBLB-UHFFFAOYSA-N 1 2 247.298 1.202 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cncs1 ZINC000774288296 585655905 /nfs/dbraw/zinc/65/59/05/585655905.db2.gz MBBHORXQDBEQIO-JTQLQIEISA-N 1 2 240.328 1.671 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cncs1 ZINC000774288296 585655906 /nfs/dbraw/zinc/65/59/06/585655906.db2.gz MBBHORXQDBEQIO-JTQLQIEISA-N 1 2 240.328 1.671 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000774727347 585664319 /nfs/dbraw/zinc/66/43/19/585664319.db2.gz CQZVMDGPOGPDTK-SNVBAGLBSA-N 1 2 237.303 1.094 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000774727347 585664320 /nfs/dbraw/zinc/66/43/20/585664320.db2.gz CQZVMDGPOGPDTK-SNVBAGLBSA-N 1 2 237.303 1.094 20 0 BDADLO C[C@@H](C(=O)OC/C=C\Cl)[NH+]1CCSCC1 ZINC000774985881 585670021 /nfs/dbraw/zinc/67/00/21/585670021.db2.gz DVSMQJRRMAEKKN-XADBCAIWSA-N 1 2 249.763 1.719 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCC=CO1)C(C)(C)C ZINC000775057211 585671152 /nfs/dbraw/zinc/67/11/52/585671152.db2.gz LHXXHCAZORHNDH-QWRGUYRKSA-N 1 2 241.331 1.856 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1nccn1C ZINC000775414472 585677538 /nfs/dbraw/zinc/67/75/38/585677538.db2.gz MQARJMDABNHXQL-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000776300557 585695141 /nfs/dbraw/zinc/69/51/41/585695141.db2.gz CSDVUPBSIHCWGC-JGVFFNPUSA-N 1 2 212.318 1.642 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)OCC[NH+]2CCOCC2)C1 ZINC000776421540 585698227 /nfs/dbraw/zinc/69/82/27/585698227.db2.gz SUTRWVCAVBLTDG-VXGBXAGGSA-N 1 2 241.331 1.298 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000776426016 585698624 /nfs/dbraw/zinc/69/86/24/585698624.db2.gz HAOFLSIWTWDXTC-MNOVXSKESA-N 1 2 222.288 1.863 20 0 BDADLO CCO[C@@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000776584553 585701503 /nfs/dbraw/zinc/70/15/03/585701503.db2.gz MUMPNYJXTJWRMJ-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000776584553 585701504 /nfs/dbraw/zinc/70/15/04/585701504.db2.gz MUMPNYJXTJWRMJ-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO c1csc(C2([NH2+]Cn3cnnc3)CCCC2)n1 ZINC000776763416 585704748 /nfs/dbraw/zinc/70/47/48/585704748.db2.gz SBFPQCBCRXXOQY-UHFFFAOYSA-N 1 2 249.343 1.751 20 0 BDADLO Cn1cc(Cl)cc1C[N@H+](C)Cn1cnnc1 ZINC000776765011 585705004 /nfs/dbraw/zinc/70/50/04/585705004.db2.gz UCHGIDUHAALAEJ-UHFFFAOYSA-N 1 2 239.710 1.360 20 0 BDADLO Cn1cc(Cl)cc1C[N@@H+](C)Cn1cnnc1 ZINC000776765011 585705005 /nfs/dbraw/zinc/70/50/05/585705005.db2.gz UCHGIDUHAALAEJ-UHFFFAOYSA-N 1 2 239.710 1.360 20 0 BDADLO C[N@@H+]1CCC[C@H](NC(=O)C(C)(Cl)Cl)C1 ZINC000777388917 585711405 /nfs/dbraw/zinc/71/14/05/585711405.db2.gz OBVNRNMJPNDQHK-ZETCQYMHSA-N 1 2 239.146 1.391 20 0 BDADLO C[N@H+]1CCC[C@H](NC(=O)C(C)(Cl)Cl)C1 ZINC000777388917 585711406 /nfs/dbraw/zinc/71/14/06/585711406.db2.gz OBVNRNMJPNDQHK-ZETCQYMHSA-N 1 2 239.146 1.391 20 0 BDADLO CCS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000778239659 585728984 /nfs/dbraw/zinc/72/89/84/585728984.db2.gz TWEMTOMBLHTFIN-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO CCS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000778239659 585728985 /nfs/dbraw/zinc/72/89/85/585728985.db2.gz TWEMTOMBLHTFIN-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO COCCC[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000778311917 585730738 /nfs/dbraw/zinc/73/07/38/585730738.db2.gz BVGNYKGXVORLGG-JTQLQIEISA-N 1 2 240.303 1.526 20 0 BDADLO Cn1ccc(CO[NH+]=C(N)c2cccc(F)c2)n1 ZINC000778592916 585737972 /nfs/dbraw/zinc/73/79/72/585737972.db2.gz QXBMWVBKOKKYHK-UHFFFAOYSA-N 1 2 248.261 1.606 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)ccc1O ZINC000778852568 585741712 /nfs/dbraw/zinc/74/17/12/585741712.db2.gz DCGUFTULUATBOV-UHFFFAOYSA-N 1 2 246.266 1.754 20 0 BDADLO CS/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094637 585744881 /nfs/dbraw/zinc/74/48/81/585744881.db2.gz DLEZFOCQHPPNKI-XKEGTWDPSA-N 1 2 237.328 1.191 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cncnc2)C[C@@H]1F ZINC000779148255 585745699 /nfs/dbraw/zinc/74/56/99/585745699.db2.gz HDNPSXOMVFQEAF-ONGXEEELSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cncnc2)C[C@@H]1F ZINC000779148255 585745700 /nfs/dbraw/zinc/74/57/00/585745700.db2.gz HDNPSXOMVFQEAF-ONGXEEELSA-N 1 2 209.268 1.657 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000780245822 585774719 /nfs/dbraw/zinc/77/47/19/585774719.db2.gz PYGRGUOJSHKREK-NEPJUHHUSA-N 1 2 243.347 1.544 20 0 BDADLO CN(C)c1ncc(C[N@H+](C)C/C=C/Cl)cn1 ZINC000780322966 585777787 /nfs/dbraw/zinc/77/77/87/585777787.db2.gz YSPOURHSYBFXHM-SNAWJCMRSA-N 1 2 240.738 1.727 20 0 BDADLO CN(C)c1ncc(C[N@@H+](C)C/C=C/Cl)cn1 ZINC000780322966 585777788 /nfs/dbraw/zinc/77/77/88/585777788.db2.gz YSPOURHSYBFXHM-SNAWJCMRSA-N 1 2 240.738 1.727 20 0 BDADLO CON(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000781033667 585789151 /nfs/dbraw/zinc/78/91/51/585789151.db2.gz TYIWNSCRSJTVFH-UHFFFAOYSA-N 1 2 245.282 1.473 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782146969 585808470 /nfs/dbraw/zinc/80/84/70/585808470.db2.gz LLXWUIDALLHQLH-MWLCHTKSSA-N 1 2 234.299 1.847 20 0 BDADLO Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)nc(C2CC2)[nH+]1 ZINC000782408709 585817774 /nfs/dbraw/zinc/81/77/74/585817774.db2.gz UQKZIWKYIJRWJV-SMDDNHRTSA-N 1 2 245.326 1.481 20 0 BDADLO COCCC[N@H+](CCO)C/C(Cl)=C/Cl ZINC000782576149 585820240 /nfs/dbraw/zinc/82/02/40/585820240.db2.gz GWPXAAVVCHTBHS-CLFYSBASSA-N 1 2 242.146 1.636 20 0 BDADLO COCCC[N@@H+](CCO)C/C(Cl)=C/Cl ZINC000782576149 585820241 /nfs/dbraw/zinc/82/02/41/585820241.db2.gz GWPXAAVVCHTBHS-CLFYSBASSA-N 1 2 242.146 1.636 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)n1 ZINC000782585839 585821092 /nfs/dbraw/zinc/82/10/92/585821092.db2.gz SNEFGPVNYSRTSS-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)n1 ZINC000782585839 585821093 /nfs/dbraw/zinc/82/10/93/585821093.db2.gz SNEFGPVNYSRTSS-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782611846 585822093 /nfs/dbraw/zinc/82/20/93/585822093.db2.gz FNLXWIIYNAUFHH-SBMIAAHKSA-N 1 2 237.303 1.007 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782611846 585822094 /nfs/dbraw/zinc/82/20/94/585822094.db2.gz FNLXWIIYNAUFHH-SBMIAAHKSA-N 1 2 237.303 1.007 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000782630202 585823411 /nfs/dbraw/zinc/82/34/11/585823411.db2.gz YMRPBBLDEBCBIS-FIQHERPVSA-N 1 2 243.347 1.826 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000782630202 585823412 /nfs/dbraw/zinc/82/34/12/585823412.db2.gz YMRPBBLDEBCBIS-FIQHERPVSA-N 1 2 243.347 1.826 20 0 BDADLO O=C(C[C@H]1CCCO1)OCCCn1cc[nH+]c1 ZINC000782920389 585826427 /nfs/dbraw/zinc/82/64/27/585826427.db2.gz PUDKXZVIEXIHEO-LLVKDONJSA-N 1 2 238.287 1.386 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783147080 585828412 /nfs/dbraw/zinc/82/84/12/585828412.db2.gz FACZUYGPHHQEER-SECBINFHSA-N 1 2 240.278 1.902 20 0 BDADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000783533412 585836145 /nfs/dbraw/zinc/83/61/45/585836145.db2.gz ZNXCZMHZUJFSPU-QMMMGPOBSA-N 1 2 249.318 1.525 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCSC2=O)[C@H](C)[C@@H](C)O1 ZINC000783542277 585836361 /nfs/dbraw/zinc/83/63/61/585836361.db2.gz JFYBQRGNWFXFLL-OPRDCNLKSA-N 1 2 244.360 1.610 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCSC2=O)[C@H](C)[C@@H](C)O1 ZINC000783542277 585836362 /nfs/dbraw/zinc/83/63/62/585836362.db2.gz JFYBQRGNWFXFLL-OPRDCNLKSA-N 1 2 244.360 1.610 20 0 BDADLO O=C(C=Cc1ccc[nH]1)NCc1c[nH+]c[nH]1 ZINC000783641369 585839185 /nfs/dbraw/zinc/83/91/85/585839185.db2.gz DUYCTDCVZHHQPJ-ONEGZZNKSA-N 1 2 216.244 1.067 20 0 BDADLO O=C(C=Cc1ccc[nH]1)NCc1c[nH]c[nH+]1 ZINC000783641369 585839186 /nfs/dbraw/zinc/83/91/86/585839186.db2.gz DUYCTDCVZHHQPJ-ONEGZZNKSA-N 1 2 216.244 1.067 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCCCS2)CC[N@@H+]1C ZINC000783651658 585839295 /nfs/dbraw/zinc/83/92/95/585839295.db2.gz XSSFWKKSCYMUQY-WDEREUQCSA-N 1 2 242.388 1.435 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCCCS2)CC[N@H+]1C ZINC000783651658 585839296 /nfs/dbraw/zinc/83/92/96/585839296.db2.gz XSSFWKKSCYMUQY-WDEREUQCSA-N 1 2 242.388 1.435 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCCCn1cc[nH+]c1 ZINC000784277171 585854145 /nfs/dbraw/zinc/85/41/45/585854145.db2.gz AQKOLGACUXBAPZ-SNVBAGLBSA-N 1 2 227.283 1.384 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000784346515 585856465 /nfs/dbraw/zinc/85/64/65/585856465.db2.gz IPBXFUFHELDOQG-NXEZZACHSA-N 1 2 227.283 1.382 20 0 BDADLO COC[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000784367520 585857615 /nfs/dbraw/zinc/85/76/15/585857615.db2.gz YEMKBIXJSLONIV-VIFPVBQESA-N 1 2 238.287 1.175 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCCCCn1cc[nH+]c1 ZINC000784411588 585859222 /nfs/dbraw/zinc/85/92/22/585859222.db2.gz XIVUWNWZSBLPJH-LLVKDONJSA-N 1 2 241.310 1.774 20 0 BDADLO CO[C@@H](C(=O)OCCCn1cc[nH+]c1)C(C)C ZINC000784782490 585866200 /nfs/dbraw/zinc/86/62/00/585866200.db2.gz JGNQRQFFKVPROK-LLVKDONJSA-N 1 2 240.303 1.487 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000785420970 585873361 /nfs/dbraw/zinc/87/33/61/585873361.db2.gz IAIIMZMCGYWMNF-VHSXEESVSA-N 1 2 235.287 1.670 20 0 BDADLO Cc1ccncc1C(=O)OCCn1cc[nH+]c1 ZINC000785891772 585882587 /nfs/dbraw/zinc/88/25/87/585882587.db2.gz GUYDAKAUEPCEKI-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO Cn1nc(C[N@H+](C)CC2(CO)CC2)cc1Cl ZINC000859270194 589026464 /nfs/dbraw/zinc/02/64/64/589026464.db2.gz MGZLRSXMPQNMSR-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1nc(C[N@@H+](C)CC2(CO)CC2)cc1Cl ZINC000859270194 589026465 /nfs/dbraw/zinc/02/64/65/589026465.db2.gz MGZLRSXMPQNMSR-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO COC/C=C\C(=O)OCCCn1cc[nH+]c1 ZINC000786592939 585895554 /nfs/dbraw/zinc/89/55/54/585895554.db2.gz CSEGJCHNHJEOEP-RQOWECAXSA-N 1 2 224.260 1.019 20 0 BDADLO O=C1C[N@H+](Cc2sccc2Cl)CCCN1 ZINC000787130165 585901849 /nfs/dbraw/zinc/90/18/49/585901849.db2.gz QFZDMZRJTUUZJX-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO O=C1C[N@@H+](Cc2sccc2Cl)CCCN1 ZINC000787130165 585901850 /nfs/dbraw/zinc/90/18/50/585901850.db2.gz QFZDMZRJTUUZJX-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787218514 585903195 /nfs/dbraw/zinc/90/31/95/585903195.db2.gz MKQXFZNXCQXIMF-SNVBAGLBSA-N 1 2 249.314 1.436 20 0 BDADLO OCCCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787365785 585907940 /nfs/dbraw/zinc/90/79/40/585907940.db2.gz FPJJVKSOTLENCI-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787365785 585907941 /nfs/dbraw/zinc/90/79/41/585907941.db2.gz FPJJVKSOTLENCI-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2nonc2C)ccn1 ZINC000805833596 585908003 /nfs/dbraw/zinc/90/80/03/585908003.db2.gz BNSFDOJLCVURIS-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)ccn1 ZINC000789021507 585933443 /nfs/dbraw/zinc/93/34/43/585933443.db2.gz IUAWSDCJEFKBPY-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO COc1cc[nH+]cc1NC(=S)NC1(C)CC1 ZINC000789212511 585936943 /nfs/dbraw/zinc/93/69/43/585936943.db2.gz KPKJTZBKJNBUCO-UHFFFAOYSA-N 1 2 237.328 1.929 20 0 BDADLO NC(=[NH+]OCC[C@H]1CCCCO1)[C@H]1CCCO1 ZINC000789612710 585946496 /nfs/dbraw/zinc/94/64/96/585946496.db2.gz VARCHXUFFKCTSX-GHMZBOCLSA-N 1 2 242.319 1.623 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cccnc1 ZINC000789771216 585949477 /nfs/dbraw/zinc/94/94/77/585949477.db2.gz GIDDUNARDKNQPN-UHFFFAOYSA-N 1 2 231.255 1.215 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CC(C)(C)C ZINC000789770731 585949557 /nfs/dbraw/zinc/94/95/57/585949557.db2.gz BZXQMJRZGXDQDG-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000789772357 585949732 /nfs/dbraw/zinc/94/97/32/585949732.db2.gz MXMACOKEJHZLLX-SCZZXKLOSA-N 1 2 208.261 1.162 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000789790380 585949956 /nfs/dbraw/zinc/94/99/56/585949956.db2.gz DGQBRGZVTDBNJY-SECBINFHSA-N 1 2 228.361 1.045 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000789790380 585949957 /nfs/dbraw/zinc/94/99/57/585949957.db2.gz DGQBRGZVTDBNJY-SECBINFHSA-N 1 2 228.361 1.045 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C1CCC1 ZINC000789790757 585950002 /nfs/dbraw/zinc/95/00/02/585950002.db2.gz AJHSFKLCPUGOIT-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO C[C@@H]1OCC[C@]12C[N@H+](C/C=C\Cl)CCO2 ZINC000791585549 585984796 /nfs/dbraw/zinc/98/47/96/585984796.db2.gz MGOCIUZKGSWAQY-MTCWXPTMSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@@H]1OCC[C@]12C[N@@H+](C/C=C\Cl)CCO2 ZINC000791585549 585984797 /nfs/dbraw/zinc/98/47/97/585984797.db2.gz MGOCIUZKGSWAQY-MTCWXPTMSA-N 1 2 231.723 1.619 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccnc(N)c1 ZINC000791929205 585991908 /nfs/dbraw/zinc/99/19/08/585991908.db2.gz GYKHRDNVUAPIDF-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccnc(N)c1 ZINC000791929205 585991909 /nfs/dbraw/zinc/99/19/09/585991909.db2.gz GYKHRDNVUAPIDF-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO C[C@@H](C(=O)OCc1cc[nH+]c(N)c1)C(F)(F)F ZINC000791966359 585992538 /nfs/dbraw/zinc/99/25/38/585992538.db2.gz NQDDJVROZUQWIW-LURJTMIESA-N 1 2 248.204 1.905 20 0 BDADLO COC(=O)N1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000792207205 585998219 /nfs/dbraw/zinc/99/82/19/585998219.db2.gz XHTHUILGNPKFGZ-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+]([C@H]1CCOC1=O)C2 ZINC000792312814 585999667 /nfs/dbraw/zinc/99/96/67/585999667.db2.gz OWLOCPPGBVPVHG-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCOC1=O)C2 ZINC000792312814 585999668 /nfs/dbraw/zinc/99/96/68/585999668.db2.gz OWLOCPPGBVPVHG-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO CCOC(CO[NH+]=C(N)COC(C)C)OCC ZINC000792730686 586004590 /nfs/dbraw/zinc/00/45/90/586004590.db2.gz RDSCJZGCLHCFNP-UHFFFAOYSA-N 1 2 248.323 1.309 20 0 BDADLO C[N@H+](CC(=O)NCc1ccco1)CC1(F)CC1 ZINC000792776927 586005146 /nfs/dbraw/zinc/00/51/46/586005146.db2.gz LWUVLRADHFERAY-UHFFFAOYSA-N 1 2 240.278 1.330 20 0 BDADLO C[N@@H+](CC(=O)NCc1ccco1)CC1(F)CC1 ZINC000792776927 586005147 /nfs/dbraw/zinc/00/51/47/586005147.db2.gz LWUVLRADHFERAY-UHFFFAOYSA-N 1 2 240.278 1.330 20 0 BDADLO CC[C@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792877689 586006438 /nfs/dbraw/zinc/00/64/38/586006438.db2.gz NJMBPQBQECINOE-LBPRGKRZSA-N 1 2 239.290 1.100 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000793021490 586008508 /nfs/dbraw/zinc/00/85/08/586008508.db2.gz PABOGMCXDKCEQT-JTQLQIEISA-N 1 2 247.298 1.683 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000793021490 586008509 /nfs/dbraw/zinc/00/85/09/586008509.db2.gz PABOGMCXDKCEQT-JTQLQIEISA-N 1 2 247.298 1.683 20 0 BDADLO Cc1ocnc1C(=O)OCCc1c[nH+]cn1C ZINC000793236588 586014854 /nfs/dbraw/zinc/01/48/54/586014854.db2.gz AFYIWIRVFUQEFV-UHFFFAOYSA-N 1 2 235.243 1.116 20 0 BDADLO Cc1c[nH]cc1C(=O)OCCc1c[nH+]cn1C ZINC000793249013 586015025 /nfs/dbraw/zinc/01/50/25/586015025.db2.gz BUWDUMCOFAFXSW-UHFFFAOYSA-N 1 2 233.271 1.456 20 0 BDADLO CCO[C@@H](CC)C(=O)OCCc1c[nH+]cn1C ZINC000793249777 586015068 /nfs/dbraw/zinc/01/50/68/586015068.db2.gz BYYCKDZJGCYWNK-NSHDSACASA-N 1 2 240.303 1.321 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(F)nc1 ZINC000793345064 586017263 /nfs/dbraw/zinc/01/72/63/586017263.db2.gz XERNVYUMLNHTGJ-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO Cc1cnc(=S)n(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000793612251 586023845 /nfs/dbraw/zinc/02/38/45/586023845.db2.gz FZJIJCGJZPXVKR-VHSXEESVSA-N 1 2 237.328 1.352 20 0 BDADLO Cc1cnc(=S)n(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000793612251 586023846 /nfs/dbraw/zinc/02/38/46/586023846.db2.gz FZJIJCGJZPXVKR-VHSXEESVSA-N 1 2 237.328 1.352 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC1CCC1 ZINC000793641379 586024521 /nfs/dbraw/zinc/02/45/21/586024521.db2.gz GUINPJMJBCHOEQ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC1CCC1 ZINC000793641379 586024522 /nfs/dbraw/zinc/02/45/22/586024522.db2.gz GUINPJMJBCHOEQ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cn1c2ccccc2n(C)c1=O ZINC000793821302 586027516 /nfs/dbraw/zinc/02/75/16/586027516.db2.gz OOLBGZBTPPPUAN-NSHDSACASA-N 1 2 245.326 1.782 20 0 BDADLO CC[C@H]1CC[N@H+]1Cn1c2ccccc2n(C)c1=O ZINC000793821302 586027517 /nfs/dbraw/zinc/02/75/17/586027517.db2.gz OOLBGZBTPPPUAN-NSHDSACASA-N 1 2 245.326 1.782 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H]3C[C@H]32)[nH]1 ZINC000794447898 586039785 /nfs/dbraw/zinc/03/97/85/586039785.db2.gz FCDYQNQVKHYSQJ-DTWKUNHWSA-N 1 2 206.293 1.522 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H]3C[C@H]32)[nH]1 ZINC000794447898 586039786 /nfs/dbraw/zinc/03/97/86/586039786.db2.gz FCDYQNQVKHYSQJ-DTWKUNHWSA-N 1 2 206.293 1.522 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000794624405 586045245 /nfs/dbraw/zinc/04/52/45/586045245.db2.gz PWDZIQNNLPANAH-VHSXEESVSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000794624405 586045246 /nfs/dbraw/zinc/04/52/46/586045246.db2.gz PWDZIQNNLPANAH-VHSXEESVSA-N 1 2 243.257 1.855 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000794795168 586049159 /nfs/dbraw/zinc/04/91/59/586049159.db2.gz MPNRGIMYTGMBTD-UTUOFQBUSA-N 1 2 248.330 1.466 20 0 BDADLO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccon1 ZINC000794806272 586049234 /nfs/dbraw/zinc/04/92/34/586049234.db2.gz ZRKWLFAIKBRCOD-LLVKDONJSA-N 1 2 232.287 1.575 20 0 BDADLO CC(C)(C)CNC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000859290186 589028558 /nfs/dbraw/zinc/02/85/58/589028558.db2.gz NNDQKPYIONDSIC-UHFFFAOYSA-N 1 2 248.317 1.880 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCCCF ZINC000795207107 586071831 /nfs/dbraw/zinc/07/18/31/586071831.db2.gz UCDPFYUTFPDMAK-UHFFFAOYSA-N 1 2 206.261 1.660 20 0 BDADLO NC(C[NH+]1CCSCC1)=NOCCCCF ZINC000795215583 586072466 /nfs/dbraw/zinc/07/24/66/586072466.db2.gz CHSAGHKWRGXBNW-UHFFFAOYSA-N 1 2 249.355 1.283 20 0 BDADLO C[N@H+](CCOC(C)(C)C)[C@H]1CC(C)(C)OC1=O ZINC000795664472 586090337 /nfs/dbraw/zinc/09/03/37/586090337.db2.gz FEFZEWOOAJNHFD-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)[C@H]1CC(C)(C)OC1=O ZINC000795664472 586090338 /nfs/dbraw/zinc/09/03/38/586090338.db2.gz FEFZEWOOAJNHFD-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795699730 586090729 /nfs/dbraw/zinc/09/07/29/586090729.db2.gz PKYAOCRSXYGVFJ-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795699730 586090730 /nfs/dbraw/zinc/09/07/30/586090730.db2.gz PKYAOCRSXYGVFJ-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)[C@@H]1CC(C)(C)OC1=O ZINC000795711343 586091343 /nfs/dbraw/zinc/09/13/43/586091343.db2.gz VCOPZGKXTXAXBH-SNVBAGLBSA-N 1 2 239.315 1.382 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)[C@@H]1CC(C)(C)OC1=O ZINC000795711343 586091344 /nfs/dbraw/zinc/09/13/44/586091344.db2.gz VCOPZGKXTXAXBH-SNVBAGLBSA-N 1 2 239.315 1.382 20 0 BDADLO O=C(CCC(F)F)OCCCn1cc[nH+]c1 ZINC000796026592 586095457 /nfs/dbraw/zinc/09/54/57/586095457.db2.gz LFHNLPNTQVGUOH-UHFFFAOYSA-N 1 2 232.230 1.862 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000796219500 586099014 /nfs/dbraw/zinc/09/90/14/586099014.db2.gz FZSSEDZTXHHNJK-PHIMTYICSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000796219500 586099015 /nfs/dbraw/zinc/09/90/15/586099015.db2.gz FZSSEDZTXHHNJK-PHIMTYICSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H]1C[N@H+](CCC(C)=O)C[C@@H](C)[S@]1=O ZINC000796373271 586102114 /nfs/dbraw/zinc/10/21/14/586102114.db2.gz AHEMUGUKJJGNDV-UEKVPHQBSA-N 1 2 231.361 1.197 20 0 BDADLO CC[C@@H]1C[N@@H+](CCC(C)=O)C[C@@H](C)[S@]1=O ZINC000796373271 586102115 /nfs/dbraw/zinc/10/21/15/586102115.db2.gz AHEMUGUKJJGNDV-UEKVPHQBSA-N 1 2 231.361 1.197 20 0 BDADLO CCC(=O)CC[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000796378072 586102129 /nfs/dbraw/zinc/10/21/29/586102129.db2.gz SDDXGMKJHCPFIH-KNHMANMVSA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CC[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000796378072 586102130 /nfs/dbraw/zinc/10/21/30/586102130.db2.gz SDDXGMKJHCPFIH-KNHMANMVSA-N 1 2 245.388 1.587 20 0 BDADLO CC[C@@](C)(OC)C(=O)OCCCn1cc[nH+]c1 ZINC000796407816 586102908 /nfs/dbraw/zinc/10/29/08/586102908.db2.gz BSWMXGQOBFCQCD-GFCCVEGCSA-N 1 2 240.303 1.632 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000796466075 586104338 /nfs/dbraw/zinc/10/43/38/586104338.db2.gz PCAFZVCPKCPNLL-NEPJUHHUSA-N 1 2 249.314 1.082 20 0 BDADLO CCCNC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796542408 586106348 /nfs/dbraw/zinc/10/63/48/586106348.db2.gz VVIOEPNTFDBSQL-UHFFFAOYSA-N 1 2 220.263 1.244 20 0 BDADLO C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1[nH]cc[nH+]1 ZINC000796964728 586118098 /nfs/dbraw/zinc/11/80/98/586118098.db2.gz JQMIVOWWJRTSAM-SFYZADRCSA-N 1 2 247.306 1.143 20 0 BDADLO CCc1occc1C(=O)OCc1c[nH+]cn1C ZINC000797555763 586128605 /nfs/dbraw/zinc/12/86/05/586128605.db2.gz IDWSGXBHOWCPBL-UHFFFAOYSA-N 1 2 234.255 1.933 20 0 BDADLO Cc1ncsc1C[N@H+](C)CC[S@](C)=O ZINC000798194479 586139682 /nfs/dbraw/zinc/13/96/82/586139682.db2.gz DXLGNERDZPZXID-AWEZNQCLSA-N 1 2 232.374 1.262 20 0 BDADLO Cc1ncsc1C[N@@H+](C)CC[S@](C)=O ZINC000798194479 586139683 /nfs/dbraw/zinc/13/96/83/586139683.db2.gz DXLGNERDZPZXID-AWEZNQCLSA-N 1 2 232.374 1.262 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1=COCCC1 ZINC000798263255 586141921 /nfs/dbraw/zinc/14/19/21/586141921.db2.gz VPXAIHFMBJBDNP-UHFFFAOYSA-N 1 2 243.266 1.967 20 0 BDADLO CSCCC[N@H+](C)Cn1ncn(C)c1=S ZINC000799159989 586162966 /nfs/dbraw/zinc/16/29/66/586162966.db2.gz NPWRYUORCOFRRB-UHFFFAOYSA-N 1 2 246.405 1.593 20 0 BDADLO CSCCC[N@@H+](C)Cn1ncn(C)c1=S ZINC000799159989 586162967 /nfs/dbraw/zinc/16/29/67/586162967.db2.gz NPWRYUORCOFRRB-UHFFFAOYSA-N 1 2 246.405 1.593 20 0 BDADLO CC(C)=CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561441 586262517 /nfs/dbraw/zinc/26/25/17/586262517.db2.gz RBCBKCDYHHALHU-SECBINFHSA-N 1 2 205.248 1.919 20 0 BDADLO CC(C)=CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561441 586262518 /nfs/dbraw/zinc/26/25/18/586262518.db2.gz RBCBKCDYHHALHU-SECBINFHSA-N 1 2 205.248 1.919 20 0 BDADLO FC(F)[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000801559761 586262868 /nfs/dbraw/zinc/26/28/68/586262868.db2.gz LNZIHELTOTWOFI-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000801559761 586262869 /nfs/dbraw/zinc/26/28/69/586262869.db2.gz LNZIHELTOTWOFI-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCc2ccccn2)CCO1 ZINC000801564672 586263251 /nfs/dbraw/zinc/26/32/51/586263251.db2.gz RKRPMUXSJRDOAX-LLVKDONJSA-N 1 2 242.269 1.590 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCc2ccccn2)CCO1 ZINC000801564672 586263252 /nfs/dbraw/zinc/26/32/52/586263252.db2.gz RKRPMUXSJRDOAX-LLVKDONJSA-N 1 2 242.269 1.590 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCC(C)(C)C2=O)[C@@H](C)CO1 ZINC000839956976 586294174 /nfs/dbraw/zinc/29/41/74/586294174.db2.gz AQKGJCKEHNMPJH-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCC(C)(C)C2=O)[C@@H](C)CO1 ZINC000839956976 586294175 /nfs/dbraw/zinc/29/41/75/586294175.db2.gz AQKGJCKEHNMPJH-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO Cc1ccoc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802236113 586297923 /nfs/dbraw/zinc/29/79/23/586297923.db2.gz VTKZWSJDGSSMNW-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO Cc1ccoc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802236113 586297924 /nfs/dbraw/zinc/29/79/24/586297924.db2.gz VTKZWSJDGSSMNW-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO O=C(Cc1ccco1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802236698 586298259 /nfs/dbraw/zinc/29/82/59/586298259.db2.gz PDEHTMJNXUUMKY-LLVKDONJSA-N 1 2 241.262 1.409 20 0 BDADLO O=C(Cc1ccco1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802236698 586298261 /nfs/dbraw/zinc/29/82/61/586298261.db2.gz PDEHTMJNXUUMKY-LLVKDONJSA-N 1 2 241.262 1.409 20 0 BDADLO C[C@@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802232742 586298272 /nfs/dbraw/zinc/29/82/72/586298272.db2.gz UAJHJXJJBSQUHI-KOLCDFICSA-N 1 2 229.295 1.620 20 0 BDADLO C[C@@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802232742 586298274 /nfs/dbraw/zinc/29/82/74/586298274.db2.gz UAJHJXJJBSQUHI-KOLCDFICSA-N 1 2 229.295 1.620 20 0 BDADLO CC(C)[C@H](F)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802231809 586298325 /nfs/dbraw/zinc/29/83/25/586298325.db2.gz AZSUQCIRBOUERT-ZJUUUORDSA-N 1 2 235.274 1.568 20 0 BDADLO CC(C)[C@H](F)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802231809 586298326 /nfs/dbraw/zinc/29/83/26/586298326.db2.gz AZSUQCIRBOUERT-ZJUUUORDSA-N 1 2 235.274 1.568 20 0 BDADLO C[C@H]1CN(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)C(=O)[C@H]1C ZINC000839960054 586300465 /nfs/dbraw/zinc/30/04/65/586300465.db2.gz NLLZZJFCFJKALE-YFKTTZPYSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CN(C[N@H+]2C[C@@H](C)OC[C@@H]2C)C(=O)[C@H]1C ZINC000839960054 586300467 /nfs/dbraw/zinc/30/04/67/586300467.db2.gz NLLZZJFCFJKALE-YFKTTZPYSA-N 1 2 240.347 1.168 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)CCO1 ZINC000839961677 586302102 /nfs/dbraw/zinc/30/21/02/586302102.db2.gz VGQYMVMYOOMSBO-UTUOFQBUSA-N 1 2 238.331 1.066 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)CCO1 ZINC000839961677 586302105 /nfs/dbraw/zinc/30/21/05/586302105.db2.gz VGQYMVMYOOMSBO-UTUOFQBUSA-N 1 2 238.331 1.066 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1occ2c1CCC2 ZINC000802814912 586315744 /nfs/dbraw/zinc/31/57/44/586315744.db2.gz GOWDZMYYSJOKEV-UHFFFAOYSA-N 1 2 246.266 1.822 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1C[C@H](C)[C@@H](C)C1=O ZINC000839998745 586348715 /nfs/dbraw/zinc/34/87/15/586348715.db2.gz JECXUSSYGUGYCJ-QJPTWQEYSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1C[C@H](C)[C@@H](C)C1=O ZINC000839998745 586348718 /nfs/dbraw/zinc/34/87/18/586348718.db2.gz JECXUSSYGUGYCJ-QJPTWQEYSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@H]1OCC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@H]1C ZINC000840026666 586384189 /nfs/dbraw/zinc/38/41/89/586384189.db2.gz HJPZCOWJIIEHJT-QCNOEVLYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@H]1C ZINC000840026666 586384191 /nfs/dbraw/zinc/38/41/91/586384191.db2.gz HJPZCOWJIIEHJT-QCNOEVLYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2CCO[C@H](C)[C@H]2C)C[C@H]1C ZINC000840029495 586384982 /nfs/dbraw/zinc/38/49/82/586384982.db2.gz UQJHEFXICVIYJJ-DDHJBXDOSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2CCO[C@H](C)[C@H]2C)C[C@H]1C ZINC000840029495 586384985 /nfs/dbraw/zinc/38/49/85/586384985.db2.gz UQJHEFXICVIYJJ-DDHJBXDOSA-N 1 2 240.347 1.168 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337331 586392140 /nfs/dbraw/zinc/39/21/40/586392140.db2.gz YGOPQTSMEVMOGA-OTVCUZDGSA-N 1 2 219.288 1.280 20 0 BDADLO CON(CC(C)(C)C)C(=O)Cc1c[nH+]cn1C ZINC000804586949 586401240 /nfs/dbraw/zinc/40/12/40/586401240.db2.gz SNUDDDGEYZEZLP-UHFFFAOYSA-N 1 2 239.319 1.399 20 0 BDADLO CCc1nc(N2CC(=O)N(C)C[C@H]2C)cc(C)[nH+]1 ZINC000804637581 586404075 /nfs/dbraw/zinc/40/40/75/586404075.db2.gz LCIOJAUXWMUFKB-SNVBAGLBSA-N 1 2 248.330 1.014 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H]2COC)C1 ZINC000840084453 586423757 /nfs/dbraw/zinc/42/37/57/586423757.db2.gz TZEZOJQUQGQNGH-AAEUAGOBSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H]2COC)C1 ZINC000840084453 586423758 /nfs/dbraw/zinc/42/37/58/586423758.db2.gz TZEZOJQUQGQNGH-AAEUAGOBSA-N 1 2 240.347 1.313 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCC=CO1 ZINC000807320184 586434887 /nfs/dbraw/zinc/43/48/87/586434887.db2.gz HBIQLEIUBNAADP-JTQLQIEISA-N 1 2 235.287 1.151 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000840099515 586445548 /nfs/dbraw/zinc/44/55/48/586445548.db2.gz NHNPPLFMBROOFI-PWSUYJOCSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000840099515 586445550 /nfs/dbraw/zinc/44/55/50/586445550.db2.gz NHNPPLFMBROOFI-PWSUYJOCSA-N 1 2 228.311 1.636 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000840102656 586446848 /nfs/dbraw/zinc/44/68/48/586446848.db2.gz ADVVNEOQEMGDCR-NXEZZACHSA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](F)C2)C1 ZINC000840102656 586446849 /nfs/dbraw/zinc/44/68/49/586446849.db2.gz ADVVNEOQEMGDCR-NXEZZACHSA-N 1 2 214.284 1.246 20 0 BDADLO COc1ccc(NCc2cn(C)c[nH+]2)c(OC)n1 ZINC000808399507 586470285 /nfs/dbraw/zinc/47/02/85/586470285.db2.gz NVASCVIDNPBHJL-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO Cn1ncc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)n1 ZINC000808417512 586471626 /nfs/dbraw/zinc/47/16/26/586471626.db2.gz MAMQQAVCGRYTOP-UHFFFAOYSA-N 1 2 248.334 1.126 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cccnc1F ZINC000808412262 586471990 /nfs/dbraw/zinc/47/19/90/586471990.db2.gz UFXHWHSAVFYUMZ-UHFFFAOYSA-N 1 2 245.257 1.852 20 0 BDADLO Clc1cnn(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000840167967 586502970 /nfs/dbraw/zinc/50/29/70/586502970.db2.gz GEQJQPOHQHXAJQ-IUCAKERBSA-N 1 2 229.736 1.684 20 0 BDADLO Clc1cnn(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000840167967 586502971 /nfs/dbraw/zinc/50/29/71/586502971.db2.gz GEQJQPOHQHXAJQ-IUCAKERBSA-N 1 2 229.736 1.684 20 0 BDADLO S=c1ncccn1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168923 586503445 /nfs/dbraw/zinc/50/34/45/586503445.db2.gz PBDGBQVYCKYVAA-IUCAKERBSA-N 1 2 239.369 1.760 20 0 BDADLO S=c1ncccn1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168923 586503447 /nfs/dbraw/zinc/50/34/47/586503447.db2.gz PBDGBQVYCKYVAA-IUCAKERBSA-N 1 2 239.369 1.760 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000809565386 586506974 /nfs/dbraw/zinc/50/69/74/586506974.db2.gz DPUKGFWVRKOZII-UHFFFAOYSA-N 1 2 234.299 1.739 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000809565386 586506976 /nfs/dbraw/zinc/50/69/76/586506976.db2.gz DPUKGFWVRKOZII-UHFFFAOYSA-N 1 2 234.299 1.739 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000809744977 586516808 /nfs/dbraw/zinc/51/68/08/586516808.db2.gz JSWXOEYJRYSNNW-UHFFFAOYSA-N 1 2 247.298 1.990 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000809952608 586525809 /nfs/dbraw/zinc/52/58/09/586525809.db2.gz BJJHYBOFQKSLFU-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809952608 586525810 /nfs/dbraw/zinc/52/58/10/586525810.db2.gz BJJHYBOFQKSLFU-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000809966546 586527480 /nfs/dbraw/zinc/52/74/80/586527480.db2.gz FMCJXWXNWVBIEN-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000809966546 586527482 /nfs/dbraw/zinc/52/74/82/586527482.db2.gz FMCJXWXNWVBIEN-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1ccc(C(C)(C)[NH2+]Cc2cnn(C)n2)cn1 ZINC000809977811 586528368 /nfs/dbraw/zinc/52/83/68/586528368.db2.gz VQBKZNIERMJSCF-UHFFFAOYSA-N 1 2 245.330 1.543 20 0 BDADLO C[C@]1([NH2+]C[C@@H](O)CC2CCCC2)CCOC1=O ZINC000810096216 586533910 /nfs/dbraw/zinc/53/39/10/586533910.db2.gz IDOLXGIMZGQHJB-AAEUAGOBSA-N 1 2 241.331 1.223 20 0 BDADLO COCCC(C)(C)C(=O)OCc1c[nH+]cn1C ZINC000810602501 586542192 /nfs/dbraw/zinc/54/21/92/586542192.db2.gz QXNPUCOBAYTMGH-UHFFFAOYSA-N 1 2 240.303 1.526 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000811463770 586559633 /nfs/dbraw/zinc/55/96/33/586559633.db2.gz GRRKDIDKLQNPPJ-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCC(C)(F)F ZINC000811588616 586561836 /nfs/dbraw/zinc/56/18/36/586561836.db2.gz QEBQCGLZJYWVKI-UHFFFAOYSA-N 1 2 231.246 1.472 20 0 BDADLO CC(C)(C)NC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712094 586566114 /nfs/dbraw/zinc/56/61/14/586566114.db2.gz HLZTVRUYIWZIDD-UHFFFAOYSA-N 1 2 238.360 1.372 20 0 BDADLO CCn1cc(CNc2cc(N(C)C)nc[nH+]2)cn1 ZINC000813354836 586601127 /nfs/dbraw/zinc/60/11/27/586601127.db2.gz IQQBQGZSMKCRAX-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCn1cc(CNc2cc(N(C)C)[nH+]cn2)cn1 ZINC000813354836 586601128 /nfs/dbraw/zinc/60/11/28/586601128.db2.gz IQQBQGZSMKCRAX-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CO[C@@H]1CCC[C@@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000814379828 586621759 /nfs/dbraw/zinc/62/17/59/586621759.db2.gz LIIWXIONBHFRQT-RKDXNWHRSA-N 1 2 242.344 1.411 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000814800180 586635416 /nfs/dbraw/zinc/63/54/16/586635416.db2.gz MOBQRBBSLWUOAQ-DTWKUNHWSA-N 1 2 242.344 1.411 20 0 BDADLO C[C@H](C(=O)OCc1cc[nH+]c(N)c1)C(C)(F)F ZINC000815492846 586686320 /nfs/dbraw/zinc/68/63/20/586686320.db2.gz VTZHOTVSPAPOJY-SSDOTTSWSA-N 1 2 244.241 1.998 20 0 BDADLO C[C@@H]1CN(C(=O)c2ncoc2C2CC2)CC[N@@H+]1C ZINC000815700488 586692139 /nfs/dbraw/zinc/69/21/39/586692139.db2.gz JQRSUFJAGORMGC-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1CN(C(=O)c2ncoc2C2CC2)CC[N@H+]1C ZINC000815700488 586692141 /nfs/dbraw/zinc/69/21/41/586692141.db2.gz JQRSUFJAGORMGC-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000816651980 586753020 /nfs/dbraw/zinc/75/30/20/586753020.db2.gz VRCQGXJDRHKCJC-QMMMGPOBSA-N 1 2 219.288 1.341 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000816651980 586753021 /nfs/dbraw/zinc/75/30/21/586753021.db2.gz VRCQGXJDRHKCJC-QMMMGPOBSA-N 1 2 219.288 1.341 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nc2ccccc2[nH]1 ZINC000816807436 586764554 /nfs/dbraw/zinc/76/45/54/586764554.db2.gz HLBSOPNEAXHBLR-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO Cc1cc(CNC(=O)Cc2[nH]cc[nH+]2)ccc1F ZINC000816834069 586766669 /nfs/dbraw/zinc/76/66/69/586766669.db2.gz FLDZCTOBRHUORE-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccsc1 ZINC000816870707 586769090 /nfs/dbraw/zinc/76/90/90/586769090.db2.gz KWIXPQIGUMVELK-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO CCOc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816892393 586769584 /nfs/dbraw/zinc/76/95/84/586769584.db2.gz BBXRQMMMEXPBHO-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000816940609 586772962 /nfs/dbraw/zinc/77/29/62/586772962.db2.gz IKLVNEZJBDNZLM-DTORHVGOSA-N 1 2 207.277 1.067 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCC=CO1 ZINC000817085884 586781427 /nfs/dbraw/zinc/78/14/27/586781427.db2.gz GJLXBKOPAGKLBK-GFCCVEGCSA-N 1 2 248.282 1.399 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000817232613 586788218 /nfs/dbraw/zinc/78/82/18/586788218.db2.gz KAJNVDALXZQKHL-SNVBAGLBSA-N 1 2 220.272 1.617 20 0 BDADLO CC[C@@H]1C[NH+](Cn2cnnc2)C[C@@H](CC)O1 ZINC000817364886 586798959 /nfs/dbraw/zinc/79/89/59/586798959.db2.gz KMCKUHZXRXVDFH-GHMZBOCLSA-N 1 2 224.308 1.125 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000859905682 589069486 /nfs/dbraw/zinc/06/94/86/589069486.db2.gz NDDNYPJYTRXWKM-NSHDSACASA-N 1 2 228.267 1.543 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000859905682 589069488 /nfs/dbraw/zinc/06/94/88/589069488.db2.gz NDDNYPJYTRXWKM-NSHDSACASA-N 1 2 228.267 1.543 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@H+](Cc1cnsn1)C2 ZINC000859925579 589070988 /nfs/dbraw/zinc/07/09/88/589070988.db2.gz OZIBZHKDKWRTLM-GXSJLCMTSA-N 1 2 239.344 1.133 20 0 BDADLO OC[C@]12CCC[C@H]1C[N@@H+](Cc1cnsn1)C2 ZINC000859925579 589070990 /nfs/dbraw/zinc/07/09/90/589070990.db2.gz OZIBZHKDKWRTLM-GXSJLCMTSA-N 1 2 239.344 1.133 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccoc2)n1 ZINC000818220420 586879584 /nfs/dbraw/zinc/87/95/84/586879584.db2.gz GXQGXMPIDOKWST-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2c[nH]nc2C)n1 ZINC000818344675 586887486 /nfs/dbraw/zinc/88/74/86/586887486.db2.gz PSUZDQFZCCWZCD-MRVPVSSYSA-N 1 2 248.334 1.489 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H](C)[N@@H+]1C ZINC000818621046 586907833 /nfs/dbraw/zinc/90/78/33/586907833.db2.gz KOAFTUZWLNUCKL-OCAPTIKFSA-N 1 2 220.263 1.193 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H](C)[N@H+]1C ZINC000818621046 586907832 /nfs/dbraw/zinc/90/78/32/586907832.db2.gz KOAFTUZWLNUCKL-OCAPTIKFSA-N 1 2 220.263 1.193 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCOC(=O)N2)c(C)[nH+]1 ZINC000859993350 589075029 /nfs/dbraw/zinc/07/50/29/589075029.db2.gz FJRKCIKRTZPENB-JTQLQIEISA-N 1 2 249.270 1.135 20 0 BDADLO C[NH+]1CCN(C(=O)C(F)=C2CCC2)CC1 ZINC000818994698 586921188 /nfs/dbraw/zinc/92/11/88/586921188.db2.gz JCMRQUOVJDYMFK-UHFFFAOYSA-N 1 2 212.268 1.168 20 0 BDADLO C[C@H]([NH2+]Cc1ccno1)c1ccns1 ZINC000860052410 589077132 /nfs/dbraw/zinc/07/71/32/589077132.db2.gz ZERPCTFFRUAGNZ-ZETCQYMHSA-N 1 2 209.274 1.982 20 0 BDADLO Cc1cc(NC[C@H](C)O)ccc1[NH+](C)C ZINC000819408010 586962024 /nfs/dbraw/zinc/96/20/24/586962024.db2.gz HKOBGOPOCRDTLV-JTQLQIEISA-N 1 2 208.305 1.854 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781165 586993822 /nfs/dbraw/zinc/99/38/22/586993822.db2.gz MEIKJFZWDNCHOZ-YIZRAAEISA-N 1 2 244.360 1.513 20 0 BDADLO C/C=C(/CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819784109 586994967 /nfs/dbraw/zinc/99/49/67/586994967.db2.gz XPYWJYJTHYFNOR-OJKBXMANSA-N 1 2 212.318 1.950 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000819895858 587001743 /nfs/dbraw/zinc/00/17/43/587001743.db2.gz QVCXDYVCABQOED-SECBINFHSA-N 1 2 233.271 1.239 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000819895858 587001744 /nfs/dbraw/zinc/00/17/44/587001744.db2.gz QVCXDYVCABQOED-SECBINFHSA-N 1 2 233.271 1.239 20 0 BDADLO C/C(=C\C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000819973159 587009513 /nfs/dbraw/zinc/00/95/13/587009513.db2.gz RVLJJNOJOGNANO-RMKNXTFCSA-N 1 2 231.299 1.651 20 0 BDADLO C/C(=C\C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000819973159 587009515 /nfs/dbraw/zinc/00/95/15/587009515.db2.gz RVLJJNOJOGNANO-RMKNXTFCSA-N 1 2 231.299 1.651 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000820053233 587015240 /nfs/dbraw/zinc/01/52/40/587015240.db2.gz HSLOGFYPIBIJOQ-LBPRGKRZSA-N 1 2 247.298 1.533 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000820085239 587020003 /nfs/dbraw/zinc/02/00/03/587020003.db2.gz RYQNHFAOQVSVSU-MNOVXSKESA-N 1 2 228.336 1.314 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000820085239 587020005 /nfs/dbraw/zinc/02/00/05/587020005.db2.gz RYQNHFAOQVSVSU-MNOVXSKESA-N 1 2 228.336 1.314 20 0 BDADLO C[C@@H]1CC[N@H+](CCC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820238389 587037446 /nfs/dbraw/zinc/03/74/46/587037446.db2.gz OWCLCAMIDXHFAP-GHMZBOCLSA-N 1 2 237.303 1.241 20 0 BDADLO C[C@@H]1CC[N@@H+](CCC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820238389 587037448 /nfs/dbraw/zinc/03/74/48/587037448.db2.gz OWCLCAMIDXHFAP-GHMZBOCLSA-N 1 2 237.303 1.241 20 0 BDADLO CC1=C(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCCO1 ZINC000820268292 587039158 /nfs/dbraw/zinc/03/91/58/587039158.db2.gz SKYLTPDXGADDQK-MRVPVSSYSA-N 1 2 235.287 1.671 20 0 BDADLO CC/C=C\CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821307409 587106301 /nfs/dbraw/zinc/10/63/01/587106301.db2.gz FWDYXZQTTGIORK-SCFJQAPRSA-N 1 2 219.288 1.516 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@](C)(O)CC ZINC000821307856 587106529 /nfs/dbraw/zinc/10/65/29/587106529.db2.gz JMSKGLWWBBDCJT-BXKDBHETSA-N 1 2 239.319 1.241 20 0 BDADLO Nc1cc(COC(=O)/C=C\[C@@H]2CCCO2)cc[nH+]1 ZINC000821398840 587116971 /nfs/dbraw/zinc/11/69/71/587116971.db2.gz TZOKKHNYCWFGKL-BYCRGOAPSA-N 1 2 248.282 1.442 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000821564628 587128801 /nfs/dbraw/zinc/12/88/01/587128801.db2.gz LVUMTJHPBNMRNK-PSASIEDQSA-N 1 2 219.288 1.684 20 0 BDADLO C[C@@H]1CCOCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821716114 587135400 /nfs/dbraw/zinc/13/54/00/587135400.db2.gz LLFUJSHGVOIPPT-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H]1CCOCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821716114 587135401 /nfs/dbraw/zinc/13/54/01/587135401.db2.gz LLFUJSHGVOIPPT-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821762355 587137075 /nfs/dbraw/zinc/13/70/75/587137075.db2.gz KIDUKMBQHLUAIH-JQBPPHQNSA-N 1 2 247.342 1.842 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821787334 587138041 /nfs/dbraw/zinc/13/80/41/587138041.db2.gz SLJKXETYUSCXAG-SGIHWFKDSA-N 1 2 235.287 1.040 20 0 BDADLO O=C(NOC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822162481 587157407 /nfs/dbraw/zinc/15/74/07/587157407.db2.gz LOUVMWDNMNLLSH-GHMZBOCLSA-N 1 2 249.314 1.894 20 0 BDADLO O=C(NOC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822162481 587157409 /nfs/dbraw/zinc/15/74/09/587157409.db2.gz LOUVMWDNMNLLSH-GHMZBOCLSA-N 1 2 249.314 1.894 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C=CCC1 ZINC000822276312 587160374 /nfs/dbraw/zinc/16/03/74/587160374.db2.gz BJHOGMZSDUDVKM-JTQLQIEISA-N 1 2 217.272 1.652 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000822277578 587160705 /nfs/dbraw/zinc/16/07/05/587160705.db2.gz RUNRXZQTRNTHBG-LNFKQOIKSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000822277578 587160706 /nfs/dbraw/zinc/16/07/06/587160706.db2.gz RUNRXZQTRNTHBG-LNFKQOIKSA-N 1 2 233.315 1.818 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000822478752 587170423 /nfs/dbraw/zinc/17/04/23/587170423.db2.gz IZXJRPPOEOADOA-ZMGSTWARSA-N 1 2 245.326 1.738 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccc(F)nc2)C1 ZINC000822534236 587173592 /nfs/dbraw/zinc/17/35/92/587173592.db2.gz ASBPTVOYAYIXAY-UHFFFAOYSA-N 1 2 238.262 1.216 20 0 BDADLO CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000822893807 587192094 /nfs/dbraw/zinc/19/20/94/587192094.db2.gz JSBJBXMEHRQZOL-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO O=C1OCCN1CCC[N@@H+]1Cc2cccnc2C1 ZINC000823011811 587198112 /nfs/dbraw/zinc/19/81/12/587198112.db2.gz KMZADNVESZCESM-UHFFFAOYSA-N 1 2 247.298 1.240 20 0 BDADLO O=C1OCCN1CCC[N@H+]1Cc2cccnc2C1 ZINC000823011811 587198113 /nfs/dbraw/zinc/19/81/13/587198113.db2.gz KMZADNVESZCESM-UHFFFAOYSA-N 1 2 247.298 1.240 20 0 BDADLO C/C=C(\C)C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823036136 587198998 /nfs/dbraw/zinc/19/89/98/587198998.db2.gz YIUOJGGQWLFWOS-QDEBKDIKSA-N 1 2 248.330 1.020 20 0 BDADLO CC(C)c1nocc1C(=O)OCCn1cc[nH+]c1 ZINC000860228958 589090061 /nfs/dbraw/zinc/09/00/61/589090061.db2.gz ZWUUNRQCWCVSNH-UHFFFAOYSA-N 1 2 249.270 1.852 20 0 BDADLO C[C@@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C(F)(F)F ZINC000823216993 587209050 /nfs/dbraw/zinc/20/90/50/587209050.db2.gz IWWQAEFIZWPRPM-KFOINNEUSA-N 1 2 247.220 1.500 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000823395335 587219453 /nfs/dbraw/zinc/21/94/53/587219453.db2.gz TVEKIUWPIWCEBZ-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000823395335 587219455 /nfs/dbraw/zinc/21/94/55/587219455.db2.gz TVEKIUWPIWCEBZ-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823590076 587232284 /nfs/dbraw/zinc/23/22/84/587232284.db2.gz UAZYTVOZEUQWJS-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@H]1CCn2cc[nH+]c21 ZINC000823656018 587234797 /nfs/dbraw/zinc/23/47/97/587234797.db2.gz WRLLTAICLRHNIB-IUCAKERBSA-N 1 2 232.287 1.180 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CO1 ZINC000823698956 587236780 /nfs/dbraw/zinc/23/67/80/587236780.db2.gz XEVWZXXHZKZJCX-PSASIEDQSA-N 1 2 245.282 1.470 20 0 BDADLO c1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)co1 ZINC000823751962 587238872 /nfs/dbraw/zinc/23/88/72/587238872.db2.gz UDZRDMWMYXWLLR-UHFFFAOYSA-N 1 2 245.242 1.343 20 0 BDADLO C[C@H](NC(=O)N(C)CCF)c1[nH+]ccn1C ZINC000823793849 587240836 /nfs/dbraw/zinc/24/08/36/587240836.db2.gz UJGIGFANQBVZLQ-QMMMGPOBSA-N 1 2 228.271 1.092 20 0 BDADLO C[N@H+](Cc1ccnc(Cl)c1F)C1CC(O)C1 ZINC000824167000 587258769 /nfs/dbraw/zinc/25/87/69/587258769.db2.gz LHCMZAPKTVKTMS-UHFFFAOYSA-N 1 2 244.697 1.829 20 0 BDADLO C[N@@H+](Cc1ccnc(Cl)c1F)C1CC(O)C1 ZINC000824167000 587258770 /nfs/dbraw/zinc/25/87/70/587258770.db2.gz LHCMZAPKTVKTMS-UHFFFAOYSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)ncc2F)CC[C@H]1O ZINC000824214566 587260910 /nfs/dbraw/zinc/26/09/10/587260910.db2.gz FSYPJGAKNYWBFA-LDYMZIIASA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)ncc2F)CC[C@H]1O ZINC000824214566 587260911 /nfs/dbraw/zinc/26/09/11/587260911.db2.gz FSYPJGAKNYWBFA-LDYMZIIASA-N 1 2 242.269 1.563 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824437973 587270375 /nfs/dbraw/zinc/27/03/75/587270375.db2.gz GFSGIKDVWBVGAL-OPRDCNLKSA-N 1 2 217.272 1.348 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824437973 587270376 /nfs/dbraw/zinc/27/03/76/587270376.db2.gz GFSGIKDVWBVGAL-OPRDCNLKSA-N 1 2 217.272 1.348 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2COC(C)(C)C2)c1 ZINC000824666021 587282103 /nfs/dbraw/zinc/28/21/03/587282103.db2.gz IBZKNKJUUACBCW-SGUJLRQBSA-N 1 2 249.314 1.117 20 0 BDADLO COC(OC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000824729466 587284807 /nfs/dbraw/zinc/28/48/07/587284807.db2.gz NSRHGFOIVHQDFS-UHFFFAOYSA-N 1 2 249.270 1.200 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000825104413 587305042 /nfs/dbraw/zinc/30/50/42/587305042.db2.gz WLNNITOBRCLGJA-HTRCEHHLSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000825104413 587305044 /nfs/dbraw/zinc/30/50/44/587305044.db2.gz WLNNITOBRCLGJA-HTRCEHHLSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@H](NC(=O)[C@@]1(C)C=CCC1)c1[nH+]ccn1C ZINC000825545250 587324629 /nfs/dbraw/zinc/32/46/29/587324629.db2.gz SUKJGSUZUANJSL-GWCFXTLKSA-N 1 2 233.315 1.954 20 0 BDADLO C/C(=C/C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741133 587335574 /nfs/dbraw/zinc/33/55/74/587335574.db2.gz IURVOTNCCCIBLY-DSDFTUOUSA-N 1 2 240.347 1.480 20 0 BDADLO C/C(=C/C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741133 587335575 /nfs/dbraw/zinc/33/55/75/587335575.db2.gz IURVOTNCCCIBLY-DSDFTUOUSA-N 1 2 240.347 1.480 20 0 BDADLO COC(=O)c1oc(C[NH+]2CC3(CC3)C2)cc1C ZINC000826029502 587348771 /nfs/dbraw/zinc/34/87/71/587348771.db2.gz GRUILSLAMVDZBS-UHFFFAOYSA-N 1 2 235.283 1.970 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826703678 587359390 /nfs/dbraw/zinc/35/93/90/587359390.db2.gz HRXKYANQJKLLMX-LEWSCRJBSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826703678 587359391 /nfs/dbraw/zinc/35/93/91/587359391.db2.gz HRXKYANQJKLLMX-LEWSCRJBSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000867042594 587360577 /nfs/dbraw/zinc/36/05/77/587360577.db2.gz LYKWKQHQBQARDV-RGOKHQFPSA-N 1 2 232.283 1.440 20 0 BDADLO CSC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000826834573 587363721 /nfs/dbraw/zinc/36/37/21/587363721.db2.gz UIIPBVBKKJVNFK-UHFFFAOYSA-N 1 2 227.333 1.510 20 0 BDADLO C[C@@]1(C2CC2)C[N@H+](Cc2cncnc2)CCO1 ZINC000826877587 587364769 /nfs/dbraw/zinc/36/47/69/587364769.db2.gz JUCVWCUUXONFIJ-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO C[C@@]1(C2CC2)C[N@@H+](Cc2cncnc2)CCO1 ZINC000826877587 587364770 /nfs/dbraw/zinc/36/47/70/587364770.db2.gz JUCVWCUUXONFIJ-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO CC[NH+](CC)CC[NH2+]C1CCN(C(=O)[O-])CC1 ZINC000827040081 587368702 /nfs/dbraw/zinc/36/87/02/587368702.db2.gz MOBBNOKXUARFEL-UHFFFAOYSA-N 1 2 243.351 1.060 20 0 BDADLO CC(C)(CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC000827117801 587370210 /nfs/dbraw/zinc/37/02/10/587370210.db2.gz PFYKACXDYYLTQR-UHFFFAOYSA-N 1 2 247.298 1.083 20 0 BDADLO C[C@]1(C[NH+]2CCOCC2)CC1(Cl)Cl ZINC000827294760 587375027 /nfs/dbraw/zinc/37/50/27/587375027.db2.gz PNYYIJUBXKRNGN-MRVPVSSYSA-N 1 2 224.131 1.903 20 0 BDADLO CSC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000827298167 587376070 /nfs/dbraw/zinc/37/60/70/587376070.db2.gz JTEQHNXPFGBRFN-UHFFFAOYSA-N 1 2 213.306 1.168 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000827560625 587388413 /nfs/dbraw/zinc/38/84/13/587388413.db2.gz UZJFEYTWMOJAEO-MWLCHTKSSA-N 1 2 247.298 1.183 20 0 BDADLO Fc1cc(C[N@@H+]2CCC3(COC3)C2)c(F)cn1 ZINC000827643414 587394352 /nfs/dbraw/zinc/39/43/52/587394352.db2.gz KWXIYFIHNLEYJV-UHFFFAOYSA-N 1 2 240.253 1.582 20 0 BDADLO Fc1cc(C[N@H+]2CCC3(COC3)C2)c(F)cn1 ZINC000827643414 587394353 /nfs/dbraw/zinc/39/43/53/587394353.db2.gz KWXIYFIHNLEYJV-UHFFFAOYSA-N 1 2 240.253 1.582 20 0 BDADLO CSC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000827769226 587401641 /nfs/dbraw/zinc/40/16/41/587401641.db2.gz GAVWEYAUJFXUHO-UHFFFAOYSA-N 1 2 239.344 1.408 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)CC1=CCCC1 ZINC000827870549 587406120 /nfs/dbraw/zinc/40/61/20/587406120.db2.gz JHRSSXJXNGTANZ-UHFFFAOYSA-N 1 2 217.334 1.073 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)CC1=CCCC1 ZINC000827870549 587406121 /nfs/dbraw/zinc/40/61/21/587406121.db2.gz JHRSSXJXNGTANZ-UHFFFAOYSA-N 1 2 217.334 1.073 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(CC1CC1)CC1CC1 ZINC000827941724 587411638 /nfs/dbraw/zinc/41/16/38/587411638.db2.gz HJMWUCOMKCOQMD-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000828011555 587416733 /nfs/dbraw/zinc/41/67/33/587416733.db2.gz LMUTWCOHIVQKFJ-DGCLKSJQSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000828011555 587416734 /nfs/dbraw/zinc/41/67/34/587416734.db2.gz LMUTWCOHIVQKFJ-DGCLKSJQSA-N 1 2 243.347 1.073 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000828052457 587417632 /nfs/dbraw/zinc/41/76/32/587417632.db2.gz IZYNLLXBZPCCHA-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CC2(CC2(F)F)C1 ZINC000828361803 587438419 /nfs/dbraw/zinc/43/84/19/587438419.db2.gz ZJPVXPFIWAOJOJ-UHFFFAOYSA-N 1 2 241.241 1.461 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CC2(CC2(F)F)C1 ZINC000828361803 587438420 /nfs/dbraw/zinc/43/84/20/587438420.db2.gz ZJPVXPFIWAOJOJ-UHFFFAOYSA-N 1 2 241.241 1.461 20 0 BDADLO CC1(C)CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000828413355 587440877 /nfs/dbraw/zinc/44/08/77/587440877.db2.gz RRDOONHHMVZTGM-VIFPVBQESA-N 1 2 233.315 1.526 20 0 BDADLO CC1(C)CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000828413355 587440879 /nfs/dbraw/zinc/44/08/79/587440879.db2.gz RRDOONHHMVZTGM-VIFPVBQESA-N 1 2 233.315 1.526 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828491076 587445664 /nfs/dbraw/zinc/44/56/64/587445664.db2.gz UAAMZFFPOCUJGE-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828607715 587453511 /nfs/dbraw/zinc/45/35/11/587453511.db2.gz WWVFDZNFTMPNEM-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO CS[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828931486 587472759 /nfs/dbraw/zinc/47/27/59/587472759.db2.gz VQVWHBOKZXBWGC-IUCAKERBSA-N 1 2 239.344 1.353 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cccnc2Cl)C1 ZINC000829051113 587480836 /nfs/dbraw/zinc/48/08/36/587480836.db2.gz DYMUWZZVYPSLGC-UHFFFAOYSA-N 1 2 239.706 1.042 20 0 BDADLO CC(=O)[C@H](OC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC000829065294 587481746 /nfs/dbraw/zinc/48/17/46/587481746.db2.gz WTNAZFVKVBIWEJ-VXGBXAGGSA-N 1 2 243.347 1.729 20 0 BDADLO CC1(C(N)=O)C[NH+](C/C(Cl)=C\Cl)C1 ZINC000829070363 587482208 /nfs/dbraw/zinc/48/22/08/587482208.db2.gz RGVVODQSHZDCDF-QHHAFSJGSA-N 1 2 223.103 1.113 20 0 BDADLO OCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829137297 587484275 /nfs/dbraw/zinc/48/42/75/587484275.db2.gz UQRTYRMTQNPOIH-UHFFFAOYSA-N 1 2 241.722 1.261 20 0 BDADLO OCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829137297 587484277 /nfs/dbraw/zinc/48/42/77/587484277.db2.gz UQRTYRMTQNPOIH-UHFFFAOYSA-N 1 2 241.722 1.261 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000829287553 587491116 /nfs/dbraw/zinc/49/11/16/587491116.db2.gz VLQADHRZSOTIRY-BRPGZNNISA-N 1 2 233.764 1.947 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829287553 587491117 /nfs/dbraw/zinc/49/11/17/587491117.db2.gz VLQADHRZSOTIRY-BRPGZNNISA-N 1 2 233.764 1.947 20 0 BDADLO CC/C=C(\C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829452041 587498253 /nfs/dbraw/zinc/49/82/53/587498253.db2.gz VJDNHBHMTFDNAT-BJMVGYQFSA-N 1 2 248.330 1.623 20 0 BDADLO CC/C=C(\C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829452041 587498254 /nfs/dbraw/zinc/49/82/54/587498254.db2.gz VJDNHBHMTFDNAT-BJMVGYQFSA-N 1 2 248.330 1.623 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000829948903 587529495 /nfs/dbraw/zinc/52/94/95/587529495.db2.gz KWAIOBTYHVOMGU-IEHMKBBKSA-N 1 2 233.315 1.670 20 0 BDADLO CC[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000829987944 587531438 /nfs/dbraw/zinc/53/14/38/587531438.db2.gz LJPHJFGEFDSQPO-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO OC[C@@]1(F)C[N@H+](CCF)C[C@@H]1c1ccccc1 ZINC000830738465 587565866 /nfs/dbraw/zinc/56/58/66/587565866.db2.gz GAQCVKGDLAEQHH-OLZOCXBDSA-N 1 2 241.281 1.756 20 0 BDADLO OC[C@@]1(F)C[N@@H+](CCF)C[C@@H]1c1ccccc1 ZINC000830738465 587565867 /nfs/dbraw/zinc/56/58/67/587565867.db2.gz GAQCVKGDLAEQHH-OLZOCXBDSA-N 1 2 241.281 1.756 20 0 BDADLO CC(C)OC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000830818236 587571977 /nfs/dbraw/zinc/57/19/77/587571977.db2.gz NADKLSFTRZFJHN-UHFFFAOYSA-N 1 2 223.276 1.323 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838404 587573508 /nfs/dbraw/zinc/57/35/08/587573508.db2.gz AVHLOBRPKKNEFT-WDEREUQCSA-N 1 2 239.315 1.335 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838404 587573509 /nfs/dbraw/zinc/57/35/09/587573509.db2.gz AVHLOBRPKKNEFT-WDEREUQCSA-N 1 2 239.315 1.335 20 0 BDADLO CC(C)CONC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000830894700 587576118 /nfs/dbraw/zinc/57/61/18/587576118.db2.gz UQWGRMMRKIBCCZ-NXEZZACHSA-N 1 2 237.303 1.227 20 0 BDADLO O[C@@H](C[N@@H+]1CC[C@H](F)C1)c1ccc(F)cn1 ZINC000831195749 587591350 /nfs/dbraw/zinc/59/13/50/587591350.db2.gz LYCSKPFIJRYJGE-ONGXEEELSA-N 1 2 228.242 1.298 20 0 BDADLO O[C@@H](C[N@H+]1CC[C@H](F)C1)c1ccc(F)cn1 ZINC000831195749 587591351 /nfs/dbraw/zinc/59/13/51/587591351.db2.gz LYCSKPFIJRYJGE-ONGXEEELSA-N 1 2 228.242 1.298 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NN1CCCCC1 ZINC000831256096 587593958 /nfs/dbraw/zinc/59/39/58/587593958.db2.gz IKVRNANBKOCIFN-GHMZBOCLSA-N 1 2 248.330 1.041 20 0 BDADLO CCON(CC)C(=O)CCCn1cc[nH+]c1 ZINC000831476079 587612251 /nfs/dbraw/zinc/61/22/51/587612251.db2.gz FCYGRBPXEDZQJW-UHFFFAOYSA-N 1 2 225.292 1.463 20 0 BDADLO CC1=NO[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000831607255 587623509 /nfs/dbraw/zinc/62/35/09/587623509.db2.gz KRHDCDXVTHGBKC-ZJUUUORDSA-N 1 2 248.286 1.238 20 0 BDADLO CC[C@H]1CC[C@H](C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000831633923 587625198 /nfs/dbraw/zinc/62/51/98/587625198.db2.gz KTHBRKPNKVUYBT-UWVGGRQHSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@@H]1CCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832380699 587657364 /nfs/dbraw/zinc/65/73/64/587657364.db2.gz VBHYKHIAJKFRPM-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO CCC(F)(F)C(=O)NC1C[NH+](C(C)C)C1 ZINC000832486382 587663032 /nfs/dbraw/zinc/66/30/32/587663032.db2.gz QUSRHIHJVIIUGS-UHFFFAOYSA-N 1 2 220.263 1.241 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000832655580 587674169 /nfs/dbraw/zinc/67/41/69/587674169.db2.gz RAGIGEGMYLXXSG-IRCOFANPSA-N 1 2 247.342 1.828 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833278060 587703906 /nfs/dbraw/zinc/70/39/06/587703906.db2.gz MULWHLQCJYWOLF-NXEZZACHSA-N 1 2 221.304 1.880 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833298811 587705094 /nfs/dbraw/zinc/70/50/94/587705094.db2.gz DIWBGFNMYVXFOX-SNVBAGLBSA-N 1 2 221.304 1.880 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c32)n1C ZINC000833305489 587705108 /nfs/dbraw/zinc/70/51/08/587705108.db2.gz QKZRAERFUDIKLA-JTQLQIEISA-N 1 2 244.298 1.405 20 0 BDADLO CC(C)(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000833426510 587714653 /nfs/dbraw/zinc/71/46/53/587714653.db2.gz NXZCPBUZSYSDDK-JTQLQIEISA-N 1 2 239.319 1.362 20 0 BDADLO CC(C)(CC(=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC000833456250 587715302 /nfs/dbraw/zinc/71/53/02/587715302.db2.gz PRELLXBELQHNGB-UHFFFAOYSA-N 1 2 225.292 1.116 20 0 BDADLO CCC1(CC)C[NH+](CCS(=O)(=O)CC)C1 ZINC000834378601 587753528 /nfs/dbraw/zinc/75/35/28/587753528.db2.gz QBUCVWAEWZFNLU-UHFFFAOYSA-N 1 2 233.377 1.543 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCS1 ZINC000834644652 587762477 /nfs/dbraw/zinc/76/24/77/587762477.db2.gz TYNVEGDZWDENTO-ZJUUUORDSA-N 1 2 239.344 1.283 20 0 BDADLO O=C(CC1OCCO1)Nc1ccn2cc[nH+]c2c1 ZINC000834840041 587768639 /nfs/dbraw/zinc/76/86/39/587768639.db2.gz HXFNOQKDAZKJBZ-UHFFFAOYSA-N 1 2 247.254 1.036 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836196654 587828465 /nfs/dbraw/zinc/82/84/65/587828465.db2.gz LQFLEUOZSJYYNM-NXEZZACHSA-N 1 2 236.319 1.816 20 0 BDADLO C[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000836349238 587831299 /nfs/dbraw/zinc/83/12/99/587831299.db2.gz SLVDQGPHSJYGED-MWLCHTKSSA-N 1 2 248.330 1.673 20 0 BDADLO Cc1cc(NC(=O)NOC2CCC2)cc[nH+]1 ZINC000836483232 587834294 /nfs/dbraw/zinc/83/42/94/587834294.db2.gz PRYPHLGLMGKHOG-UHFFFAOYSA-N 1 2 221.260 1.418 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1=CCCCO1 ZINC000836951067 587843433 /nfs/dbraw/zinc/84/34/33/587843433.db2.gz WLNYADVDMHXKNG-SNVBAGLBSA-N 1 2 249.314 1.775 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OCc1cc[nH]n1 ZINC000837430726 587872257 /nfs/dbraw/zinc/87/22/57/587872257.db2.gz ONAJTXYRZFNUMC-UHFFFAOYSA-N 1 2 246.270 1.512 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)CC(C)C)C1 ZINC000837546746 587880815 /nfs/dbraw/zinc/88/08/15/587880815.db2.gz OZNLKIRABSGYNG-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)CC(C)C)C1 ZINC000837546746 587880817 /nfs/dbraw/zinc/88/08/17/587880817.db2.gz OZNLKIRABSGYNG-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000837545028 587881064 /nfs/dbraw/zinc/88/10/64/587881064.db2.gz IGMHKRSTBSGSAW-SSDOTTSWSA-N 1 2 242.216 1.096 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC000837545028 587881065 /nfs/dbraw/zinc/88/10/65/587881065.db2.gz IGMHKRSTBSGSAW-SSDOTTSWSA-N 1 2 242.216 1.096 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)CC(C)C)C1 ZINC000837546737 587881088 /nfs/dbraw/zinc/88/10/88/587881088.db2.gz OZNLKIRABSGYNG-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)CC(C)C)C1 ZINC000837546737 587881090 /nfs/dbraw/zinc/88/10/90/587881090.db2.gz OZNLKIRABSGYNG-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000837716756 587892135 /nfs/dbraw/zinc/89/21/35/587892135.db2.gz FALIHMNYGHPFIZ-SERMCNLOSA-N 1 2 247.342 1.825 20 0 BDADLO Cn1ccnc1[C@@H]1[N@H+](C[C@@H](O)C2CC2)CC1(C)C ZINC000840768723 587920868 /nfs/dbraw/zinc/92/08/68/587920868.db2.gz PFAIXZQNJAKFHR-NEPJUHHUSA-N 1 2 249.358 1.574 20 0 BDADLO Cn1ccnc1[C@@H]1[N@@H+](C[C@@H](O)C2CC2)CC1(C)C ZINC000840768723 587920870 /nfs/dbraw/zinc/92/08/70/587920870.db2.gz PFAIXZQNJAKFHR-NEPJUHHUSA-N 1 2 249.358 1.574 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC[C@@H](C)O ZINC000842033521 587991529 /nfs/dbraw/zinc/99/15/29/587991529.db2.gz SMILCMAVDYCNQV-NXEZZACHSA-N 1 2 232.324 1.317 20 0 BDADLO NC(=[NH+]OCCC1CCOCC1)[C@H]1CCCO1 ZINC000842047630 587992926 /nfs/dbraw/zinc/99/29/26/587992926.db2.gz QMONSSQMANBKGW-LLVKDONJSA-N 1 2 242.319 1.481 20 0 BDADLO COc1cc(C)[nH+]c(CONC(=O)C2CC2)c1 ZINC000842108593 588000558 /nfs/dbraw/zinc/00/05/58/588000558.db2.gz CMRWZSLMLWJFPI-UHFFFAOYSA-N 1 2 236.271 1.356 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC2(C1)CCCCC2 ZINC000867286437 588005120 /nfs/dbraw/zinc/00/51/20/588005120.db2.gz XDCHEXXTIVDMQA-NSHDSACASA-N 1 2 249.314 1.236 20 0 BDADLO Cc1ccc([C@H]([NH3+])c2nc(N(C)C)no2)cc1 ZINC000842571699 588043302 /nfs/dbraw/zinc/04/33/02/588043302.db2.gz NFKDZVFKYOQMOV-JTQLQIEISA-N 1 2 232.287 1.492 20 0 BDADLO CCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842657355 588050340 /nfs/dbraw/zinc/05/03/40/588050340.db2.gz ODTVJLOOFMPLTB-VIFPVBQESA-N 1 2 216.281 1.090 20 0 BDADLO Cn1c[nH+]c(CNc2ccc3c(c2)nnn3C)c1 ZINC000842742094 588058203 /nfs/dbraw/zinc/05/82/03/588058203.db2.gz QELMMVOFYQOTBI-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)C1(F)CC1 ZINC000842796847 588064726 /nfs/dbraw/zinc/06/47/26/588064726.db2.gz HYJOXRFDYAHFTO-UHFFFAOYSA-N 1 2 238.262 1.693 20 0 BDADLO COC[C@@H](C)OC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000867317867 588079104 /nfs/dbraw/zinc/07/91/04/588079104.db2.gz VVGXUEINAPTPFP-BDAKNGLRSA-N 1 2 239.275 1.089 20 0 BDADLO Cc1ccccc1[C@H](O)C[NH2+]CC(F)(F)CO ZINC000843081396 588080186 /nfs/dbraw/zinc/08/01/86/588080186.db2.gz RLRJCUBEEKEXGV-LLVKDONJSA-N 1 2 245.269 1.246 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](OCC)C(C)C)n1 ZINC000843145224 588083676 /nfs/dbraw/zinc/08/36/76/588083676.db2.gz XVKCBYKQKRCZAW-JTQLQIEISA-N 1 2 241.335 1.783 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CC[C@@H](CC)O2)n1 ZINC000843144487 588085874 /nfs/dbraw/zinc/08/58/74/588085874.db2.gz DOXFJEMKAXXJDD-BDAKNGLRSA-N 1 2 225.292 1.809 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2O[C@@H](C)C[C@H]2C)n1 ZINC000843144372 588086027 /nfs/dbraw/zinc/08/60/27/588086027.db2.gz WYABKXHTNTVCRD-KHQFGBGNSA-N 1 2 225.292 1.665 20 0 BDADLO CC[NH2+]Cc1noc(/C=C/c2ccco2)n1 ZINC000843145889 588086546 /nfs/dbraw/zinc/08/65/46/588086546.db2.gz SYTGUKLMFMQNNZ-AATRIKPKSA-N 1 2 219.244 1.943 20 0 BDADLO CCS[C@H](C)c1noc(C[NH2+]CCOC)n1 ZINC000843191987 588091817 /nfs/dbraw/zinc/09/18/17/588091817.db2.gz QBMHEKGUTPKUOJ-MRVPVSSYSA-N 1 2 245.348 1.620 20 0 BDADLO CCON(C(=O)CCc1c[nH+]cn1C)C(C)C ZINC000844074269 588159858 /nfs/dbraw/zinc/15/98/58/588159858.db2.gz FMNWCYYUVBNTSB-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000844137484 588169543 /nfs/dbraw/zinc/16/95/43/588169543.db2.gz PTTYFEDJMSVJDU-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO NC(=[NH+]OCC=C(Cl)Cl)[C@H]1CCCO1 ZINC000844236470 588176162 /nfs/dbraw/zinc/17/61/62/588176162.db2.gz IEURFHNQYUYQTL-ZCFIWIBFSA-N 1 2 239.102 1.983 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C(C)COC ZINC000844395548 588189723 /nfs/dbraw/zinc/18/97/23/588189723.db2.gz MNMRQJZRXHBMAI-JXMROGBWSA-N 1 2 234.299 1.597 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](C/C=C\Cl)C[C@H](C)O1 ZINC000844423073 588191602 /nfs/dbraw/zinc/19/16/02/588191602.db2.gz MPNHUUFLHJCYSR-HIYAPSCVSA-N 1 2 233.695 1.001 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H](C)O1 ZINC000844423073 588191603 /nfs/dbraw/zinc/19/16/03/588191603.db2.gz MPNHUUFLHJCYSR-HIYAPSCVSA-N 1 2 233.695 1.001 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452953 588195733 /nfs/dbraw/zinc/19/57/33/588195733.db2.gz XTPRLGISHQQXQP-AOOOYVTPSA-N 1 2 246.301 1.490 20 0 BDADLO CCCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844452953 588195735 /nfs/dbraw/zinc/19/57/35/588195735.db2.gz XTPRLGISHQQXQP-AOOOYVTPSA-N 1 2 246.301 1.490 20 0 BDADLO CC1(C)C[N@H+](C/C=C/Cl)[C@@H]2COC[C@H]2O1 ZINC000844469079 588198019 /nfs/dbraw/zinc/19/80/19/588198019.db2.gz VFMMXXVWTUHDHD-HIHHVFROSA-N 1 2 231.723 1.617 20 0 BDADLO CC1(C)C[N@@H+](C/C=C/Cl)[C@@H]2COC[C@H]2O1 ZINC000844469079 588198020 /nfs/dbraw/zinc/19/80/20/588198020.db2.gz VFMMXXVWTUHDHD-HIHHVFROSA-N 1 2 231.723 1.617 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CN1C(=O)CC12CCCC2 ZINC000844687018 588213839 /nfs/dbraw/zinc/21/38/39/588213839.db2.gz XATLPIIYNIWAIT-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[C@@H]1COCC[N@H+]1CN1C(=O)CC12CCCC2 ZINC000844687018 588213840 /nfs/dbraw/zinc/21/38/40/588213840.db2.gz XATLPIIYNIWAIT-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO CCc1cc[nH+]cc1NCc1cnn(C)n1 ZINC000844708999 588214856 /nfs/dbraw/zinc/21/48/56/588214856.db2.gz OMUYGZKSRSZVQF-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@H](C)CC2=O)[C@@H](C)CO1 ZINC000844728470 588215098 /nfs/dbraw/zinc/21/50/98/588215098.db2.gz IITUZNHRFAMWCL-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@H](C)CC2=O)[C@@H](C)CO1 ZINC000844728470 588215099 /nfs/dbraw/zinc/21/50/99/588215099.db2.gz IITUZNHRFAMWCL-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cn3cc[nH]c3=S)C[C@H]21 ZINC000844752593 588215863 /nfs/dbraw/zinc/21/58/63/588215863.db2.gz AEYWXBYWQITBBL-KNVOCYPGSA-N 1 2 231.271 1.326 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cn3cc[nH]c3=S)C[C@H]21 ZINC000844752593 588215864 /nfs/dbraw/zinc/21/58/64/588215864.db2.gz AEYWXBYWQITBBL-KNVOCYPGSA-N 1 2 231.271 1.326 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C[C@H]1C ZINC000844754638 588216154 /nfs/dbraw/zinc/21/61/54/588216154.db2.gz DYADRVGMRCPDRF-KYXWUPHJSA-N 1 2 244.285 1.255 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C[C@H]1C ZINC000844754638 588216155 /nfs/dbraw/zinc/21/61/55/588216155.db2.gz DYADRVGMRCPDRF-KYXWUPHJSA-N 1 2 244.285 1.255 20 0 BDADLO CC1(C)CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844758119 588216294 /nfs/dbraw/zinc/21/62/94/588216294.db2.gz RKGSWGZKIMVGHO-DTORHVGOSA-N 1 2 244.285 1.399 20 0 BDADLO CC1(C)CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844758119 588216295 /nfs/dbraw/zinc/21/62/95/588216295.db2.gz RKGSWGZKIMVGHO-DTORHVGOSA-N 1 2 244.285 1.399 20 0 BDADLO COC/C(C)=C/C(=O)OCCCn1cc[nH+]c1 ZINC000845242109 588224563 /nfs/dbraw/zinc/22/45/63/588224563.db2.gz GGZGWVNFUYKHTB-DHZHZOJOSA-N 1 2 238.287 1.409 20 0 BDADLO C[C@@H](CC(=O)OCC1(C)COC1)n1cc[nH+]c1 ZINC000845282115 588225577 /nfs/dbraw/zinc/22/55/77/588225577.db2.gz MMUGHVPTILNGJL-JTQLQIEISA-N 1 2 238.287 1.414 20 0 BDADLO C[C@H](CC(=O)OCCC[C@H](C)O)n1cc[nH+]c1 ZINC000845284090 588225685 /nfs/dbraw/zinc/22/56/85/588225685.db2.gz KNQXBPZSHUGILZ-MNOVXSKESA-N 1 2 240.303 1.538 20 0 BDADLO C[C@@H](CC(=O)OCC(=O)C(F)F)n1cc[nH+]c1 ZINC000845283628 588225784 /nfs/dbraw/zinc/22/57/84/588225784.db2.gz FMKNYVULVWMBEK-ZETCQYMHSA-N 1 2 246.213 1.212 20 0 BDADLO COCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284057 588225808 /nfs/dbraw/zinc/22/58/08/588225808.db2.gz KALQILCKEZUVHW-LLVKDONJSA-N 1 2 240.303 1.804 20 0 BDADLO C[C@H](CC(=O)OCCCCCO)n1cc[nH+]c1 ZINC000845285735 588225822 /nfs/dbraw/zinc/22/58/22/588225822.db2.gz SCOMFVQQZOSORO-LLVKDONJSA-N 1 2 240.303 1.540 20 0 BDADLO COCC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284069 588225844 /nfs/dbraw/zinc/22/58/44/588225844.db2.gz KCUMALUQGFWEHN-QWRGUYRKSA-N 1 2 240.303 1.802 20 0 BDADLO C[C@@H](CC(=O)OCCc1cn[nH]c1)n1cc[nH+]c1 ZINC000845480787 588230126 /nfs/dbraw/zinc/23/01/26/588230126.db2.gz ONALCSVDOCSPFR-JTQLQIEISA-N 1 2 248.286 1.343 20 0 BDADLO CC(C)c1nc(N[C@@H](CO)CCF)cc[nH+]1 ZINC000845736772 588243211 /nfs/dbraw/zinc/24/32/11/588243211.db2.gz VSEIZKIRPJCTRQ-SECBINFHSA-N 1 2 227.283 1.732 20 0 BDADLO S=C1OCCN1C[NH+]1Cc2ccccc2C1 ZINC000106063168 588248133 /nfs/dbraw/zinc/24/81/33/588248133.db2.gz MMYRBLXLCMAXOC-UHFFFAOYSA-N 1 2 234.324 1.577 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cncnc1 ZINC000846026092 588253958 /nfs/dbraw/zinc/25/39/58/588253958.db2.gz CDRDZBHEVZRXRB-OLZOCXBDSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cncnc1 ZINC000846026092 588253959 /nfs/dbraw/zinc/25/39/59/588253959.db2.gz CDRDZBHEVZRXRB-OLZOCXBDSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccn2)[C@H](CC)CO1 ZINC000846028157 588254098 /nfs/dbraw/zinc/25/40/98/588254098.db2.gz XRYPPEXEMDYUGZ-CHWSQXEVSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccn2)[C@H](CC)CO1 ZINC000846028157 588254099 /nfs/dbraw/zinc/25/40/99/588254099.db2.gz XRYPPEXEMDYUGZ-CHWSQXEVSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(C)nn2)[C@H](C)CO1 ZINC000846044200 588254823 /nfs/dbraw/zinc/25/48/23/588254823.db2.gz FMBRQXMCBHAECZ-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(C)nn2)[C@H](C)CO1 ZINC000846044200 588254824 /nfs/dbraw/zinc/25/48/24/588254824.db2.gz FMBRQXMCBHAECZ-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000846088322 588255883 /nfs/dbraw/zinc/25/58/83/588255883.db2.gz XDPHUQJCPSIHPE-GMTAPVOTSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+][C@H](CC)C1CCC1 ZINC000846090247 588256139 /nfs/dbraw/zinc/25/61/39/588256139.db2.gz DOOIRFRYACGTKV-SNVBAGLBSA-N 1 2 214.309 1.222 20 0 BDADLO CCCC[C@H](C)[C@@H](C)[NH2+]CC(=O)NOCC ZINC000846090438 588256382 /nfs/dbraw/zinc/25/63/82/588256382.db2.gz AHZLTWLRKPQFTK-WDEREUQCSA-N 1 2 230.352 1.859 20 0 BDADLO COCc1cc[nH+]c(NC2CCN(C=O)CC2)c1 ZINC000846210960 588260290 /nfs/dbraw/zinc/26/02/90/588260290.db2.gz CLBXXCVLRVDSJR-UHFFFAOYSA-N 1 2 249.314 1.261 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2c1OCC2 ZINC000846747864 588284528 /nfs/dbraw/zinc/28/45/28/588284528.db2.gz WHBAUANLGLXBRL-UHFFFAOYSA-N 1 2 229.283 1.967 20 0 BDADLO c1cn([C@@H]2CCCN(Cc3cnsn3)C2)c[nH+]1 ZINC000846798449 588288621 /nfs/dbraw/zinc/28/86/21/588288621.db2.gz PBRFTKSWSKFMOW-LLVKDONJSA-N 1 2 249.343 1.572 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@H]1CCCOC1 ZINC000846804015 588289748 /nfs/dbraw/zinc/28/97/48/588289748.db2.gz WNWOWLPGAWRSLF-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@H]1CCCOC1 ZINC000846804015 588289749 /nfs/dbraw/zinc/28/97/49/588289749.db2.gz WNWOWLPGAWRSLF-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846806471 588289788 /nfs/dbraw/zinc/28/97/88/588289788.db2.gz MOZGPXVIVHRNSO-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846806471 588289789 /nfs/dbraw/zinc/28/97/89/588289789.db2.gz MOZGPXVIVHRNSO-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO C[C@@H](CO)[N@H+](Cc1cnsn1)C1CCCC1 ZINC000846865998 588294102 /nfs/dbraw/zinc/29/41/02/588294102.db2.gz RWGILCVSKFEYCE-VIFPVBQESA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](CO)[N@@H+](Cc1cnsn1)C1CCCC1 ZINC000846865998 588294103 /nfs/dbraw/zinc/29/41/03/588294103.db2.gz RWGILCVSKFEYCE-VIFPVBQESA-N 1 2 241.360 1.664 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000846894989 588295793 /nfs/dbraw/zinc/29/57/93/588295793.db2.gz LHAARTVFINMMCU-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000846894989 588295794 /nfs/dbraw/zinc/29/57/94/588295794.db2.gz LHAARTVFINMMCU-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO CCOC1CC([N@H+](C)Cc2cnsn2)C1 ZINC000846900535 588296224 /nfs/dbraw/zinc/29/62/24/588296224.db2.gz QOVJNYSHXDXNHW-UHFFFAOYSA-N 1 2 227.333 1.537 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2cnsn2)C1 ZINC000846900535 588296225 /nfs/dbraw/zinc/29/62/25/588296225.db2.gz QOVJNYSHXDXNHW-UHFFFAOYSA-N 1 2 227.333 1.537 20 0 BDADLO CC(=O)C1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000846954183 588298390 /nfs/dbraw/zinc/29/83/90/588298390.db2.gz UFQLXNMCADMAFC-QMMMGPOBSA-N 1 2 237.303 1.740 20 0 BDADLO OC1([C@H]2CCCC[N@@H+]2Cc2cnsn2)CC1 ZINC000846991761 588300737 /nfs/dbraw/zinc/30/07/37/588300737.db2.gz IXZVLZJRXQFWHF-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO OC1([C@H]2CCCC[N@H+]2Cc2cnsn2)CC1 ZINC000846991761 588300738 /nfs/dbraw/zinc/30/07/38/588300738.db2.gz IXZVLZJRXQFWHF-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CC[S@@](C)=O ZINC000847062804 588305576 /nfs/dbraw/zinc/30/55/76/588305576.db2.gz PELJKYRZSQKEBA-MRXNPFEDSA-N 1 2 249.376 1.076 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCOC1 ZINC000106937053 588316765 /nfs/dbraw/zinc/31/67/65/588316765.db2.gz YROADRLKGAQHFY-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@@H]1CCOC1 ZINC000106937053 588316767 /nfs/dbraw/zinc/31/67/67/588316767.db2.gz YROADRLKGAQHFY-SECBINFHSA-N 1 2 239.319 1.588 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCOC1 ZINC000106937054 588316866 /nfs/dbraw/zinc/31/68/66/588316866.db2.gz YROADRLKGAQHFY-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@H]1CCOC1 ZINC000106937054 588316867 /nfs/dbraw/zinc/31/68/67/588316867.db2.gz YROADRLKGAQHFY-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NOCC(C)C)ccn12 ZINC000847604235 588318475 /nfs/dbraw/zinc/31/84/75/588318475.db2.gz QLJTUXMSBCBBOT-UHFFFAOYSA-N 1 2 247.298 1.960 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000847621880 588318953 /nfs/dbraw/zinc/31/89/53/588318953.db2.gz UUPVWBNYCWKWHN-NXEZZACHSA-N 1 2 246.314 1.794 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000847621880 588318955 /nfs/dbraw/zinc/31/89/55/588318955.db2.gz UUPVWBNYCWKWHN-NXEZZACHSA-N 1 2 246.314 1.794 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOC/C=C/Cl ZINC000848104897 588356240 /nfs/dbraw/zinc/35/62/40/588356240.db2.gz DNRBPCZLFMVLHD-UFUPEUMYSA-N 1 2 243.694 1.389 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOC/C=C/Cl ZINC000848104897 588356242 /nfs/dbraw/zinc/35/62/42/588356242.db2.gz DNRBPCZLFMVLHD-UFUPEUMYSA-N 1 2 243.694 1.389 20 0 BDADLO COc1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000848387399 588375972 /nfs/dbraw/zinc/37/59/72/588375972.db2.gz SQMAMZFGIPRUJW-MRVPVSSYSA-N 1 2 246.270 1.304 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cn1 ZINC000848514496 588389177 /nfs/dbraw/zinc/38/91/77/588389177.db2.gz YJSJVRSSVXCPKM-LLVKDONJSA-N 1 2 235.287 1.567 20 0 BDADLO Cc1nc(N2Cc3ccncc3C2)cc[nH+]1 ZINC000848727359 588408896 /nfs/dbraw/zinc/40/88/96/588408896.db2.gz YKYHIKZTRSHZMO-UHFFFAOYSA-N 1 2 212.256 1.700 20 0 BDADLO O=C1O[C@@H](CNc2cccc[nH+]2)CN1C1CC1 ZINC000848794218 588413892 /nfs/dbraw/zinc/41/38/92/588413892.db2.gz PMOAJZYKHPZXDK-JTQLQIEISA-N 1 2 233.271 1.477 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)n2C)CCCO1 ZINC000848884863 588417103 /nfs/dbraw/zinc/41/71/03/588417103.db2.gz HASIUMLWDBXKQD-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)n2C)CCCO1 ZINC000848884863 588417105 /nfs/dbraw/zinc/41/71/05/588417105.db2.gz HASIUMLWDBXKQD-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(CNc2c[nH+]cc3c2CCCC3)n1 ZINC000849347122 588474320 /nfs/dbraw/zinc/47/43/20/588474320.db2.gz RZCGMFBRWHHCAH-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO CCCN(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000849394493 588476423 /nfs/dbraw/zinc/47/64/23/588476423.db2.gz ANXMMPSAIWBNCL-VIFPVBQESA-N 1 2 222.292 1.379 20 0 BDADLO Cc1nocc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000849732526 588490939 /nfs/dbraw/zinc/49/09/39/588490939.db2.gz JYDNNLYTLLXMFU-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1nocc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000849732526 588490940 /nfs/dbraw/zinc/49/09/40/588490940.db2.gz JYDNNLYTLLXMFU-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1nocc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000849732527 588491192 /nfs/dbraw/zinc/49/11/92/588491192.db2.gz JYDNNLYTLLXMFU-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO Cc1nocc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000849732527 588491194 /nfs/dbraw/zinc/49/11/94/588491194.db2.gz JYDNNLYTLLXMFU-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO CCC(CC)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000849735172 588491552 /nfs/dbraw/zinc/49/15/52/588491552.db2.gz RCNSAIHBKYZBHQ-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CCC(CC)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000849735172 588491554 /nfs/dbraw/zinc/49/15/54/588491554.db2.gz RCNSAIHBKYZBHQ-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(C)[nH+]1 ZINC000850259873 588532272 /nfs/dbraw/zinc/53/22/72/588532272.db2.gz LYNCMCGNVPNHLX-ITGUQSILSA-N 1 2 247.294 1.634 20 0 BDADLO CCOC1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000850289814 588535011 /nfs/dbraw/zinc/53/50/11/588535011.db2.gz VQYXASMKEMNSAV-UHFFFAOYSA-N 1 2 238.287 1.386 20 0 BDADLO CCc1cc(NCc2[nH]cc(C)[nH+]2)nn1C ZINC000850329498 588536769 /nfs/dbraw/zinc/53/67/69/588536769.db2.gz YDVMFEBWPJKNKE-UHFFFAOYSA-N 1 2 219.292 1.626 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccoc2)c2ncnn21 ZINC000850351797 588537809 /nfs/dbraw/zinc/53/78/09/588537809.db2.gz HXJSMMXVDHMDAM-SCZZXKLOSA-N 1 2 218.260 1.667 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)c2ccccc21 ZINC000850372364 588541624 /nfs/dbraw/zinc/54/16/24/588541624.db2.gz TYKACBSNWPCUTK-STQMWFEESA-N 1 2 229.283 1.678 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000885579751 588562696 /nfs/dbraw/zinc/56/26/96/588562696.db2.gz MGROSXGHIXRIDN-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850869202 588572067 /nfs/dbraw/zinc/57/20/67/588572067.db2.gz OPOLHEYVSNGUPX-JLLWLGSASA-N 1 2 234.299 1.900 20 0 BDADLO Cc1ncc(COC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000851445150 588604687 /nfs/dbraw/zinc/60/46/87/588604687.db2.gz NKMWTRAIZSHJFU-SECBINFHSA-N 1 2 249.270 1.874 20 0 BDADLO C[N@@H+](Cc1cnon1)Cc1cccs1 ZINC000851718668 588616843 /nfs/dbraw/zinc/61/68/43/588616843.db2.gz OFBZMIHLSOKHSX-UHFFFAOYSA-N 1 2 209.274 1.763 20 0 BDADLO C[N@H+](Cc1cnon1)Cc1cccs1 ZINC000851718668 588616844 /nfs/dbraw/zinc/61/68/44/588616844.db2.gz OFBZMIHLSOKHSX-UHFFFAOYSA-N 1 2 209.274 1.763 20 0 BDADLO CC[C@H]1C[N@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851726278 588618022 /nfs/dbraw/zinc/61/80/22/588618022.db2.gz NIHALISGTVALCT-AAEUAGOBSA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851726278 588618023 /nfs/dbraw/zinc/61/80/23/588618023.db2.gz NIHALISGTVALCT-AAEUAGOBSA-N 1 2 236.315 1.226 20 0 BDADLO CC1(C)COCC[N@@H+]1CCOC(F)F ZINC000851734508 588620226 /nfs/dbraw/zinc/62/02/26/588620226.db2.gz HEYUYQGSCKEUGQ-UHFFFAOYSA-N 1 2 209.236 1.336 20 0 BDADLO CC1(C)COCC[N@H+]1CCOC(F)F ZINC000851734508 588620227 /nfs/dbraw/zinc/62/02/27/588620227.db2.gz HEYUYQGSCKEUGQ-UHFFFAOYSA-N 1 2 209.236 1.336 20 0 BDADLO C[N@H+](Cc1cnon1)[C@H](CCO)c1ccccc1 ZINC000851786880 588628644 /nfs/dbraw/zinc/62/86/44/588628644.db2.gz HFRLFIHKXGUPPV-CYBMUJFWSA-N 1 2 247.298 1.625 20 0 BDADLO C[N@@H+](Cc1cnon1)[C@H](CCO)c1ccccc1 ZINC000851786880 588628645 /nfs/dbraw/zinc/62/86/45/588628645.db2.gz HFRLFIHKXGUPPV-CYBMUJFWSA-N 1 2 247.298 1.625 20 0 BDADLO C[C@H](NC(=O)OCCCF)c1[nH+]ccn1C ZINC000851855975 588635278 /nfs/dbraw/zinc/63/52/78/588635278.db2.gz ZNUJSJHPZQBYEE-QMMMGPOBSA-N 1 2 229.255 1.567 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC000851878906 588638881 /nfs/dbraw/zinc/63/88/81/588638881.db2.gz FTJNUURYYSDWED-NSHDSACASA-N 1 2 247.302 1.747 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cnon1 ZINC000851878906 588638882 /nfs/dbraw/zinc/63/88/82/588638882.db2.gz FTJNUURYYSDWED-NSHDSACASA-N 1 2 247.302 1.747 20 0 BDADLO c1cc2c(s1)C[N@H+](Cc1cnon1)CC2 ZINC000851880239 588639162 /nfs/dbraw/zinc/63/91/62/588639162.db2.gz QNDVULYULKAZLB-UHFFFAOYSA-N 1 2 221.285 1.689 20 0 BDADLO c1cc2c(s1)C[N@@H+](Cc1cnon1)CC2 ZINC000851880239 588639163 /nfs/dbraw/zinc/63/91/63/588639163.db2.gz QNDVULYULKAZLB-UHFFFAOYSA-N 1 2 221.285 1.689 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cccnc2)n1 ZINC000851893932 588641836 /nfs/dbraw/zinc/64/18/36/588641836.db2.gz NJUKRZXWPMBLLL-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccn2)CCC1=O ZINC000851952086 588647409 /nfs/dbraw/zinc/64/74/09/588647409.db2.gz IDFSVMUHUOKRKP-GWCFXTLKSA-N 1 2 234.299 1.026 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCC1=O ZINC000851952086 588647410 /nfs/dbraw/zinc/64/74/10/588647410.db2.gz IDFSVMUHUOKRKP-GWCFXTLKSA-N 1 2 234.299 1.026 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)CCC1=O ZINC000851952095 588647663 /nfs/dbraw/zinc/64/76/63/588647663.db2.gz IHWQNEKHJNXACD-NXEZZACHSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)CCC1=O ZINC000851952095 588647664 /nfs/dbraw/zinc/64/76/64/588647664.db2.gz IHWQNEKHJNXACD-NXEZZACHSA-N 1 2 227.304 1.049 20 0 BDADLO CCn1ncc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)n1 ZINC000851967177 588648689 /nfs/dbraw/zinc/64/86/89/588648689.db2.gz WDCKCSKKPHMQJJ-PEGIJTEDSA-N 1 2 238.335 1.032 20 0 BDADLO CCn1ncc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)n1 ZINC000851967177 588648690 /nfs/dbraw/zinc/64/86/90/588648690.db2.gz WDCKCSKKPHMQJJ-PEGIJTEDSA-N 1 2 238.335 1.032 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1CC=C(Cl)Cl ZINC000851980175 588651210 /nfs/dbraw/zinc/65/12/10/588651210.db2.gz QFCDTOCLTRLBEE-SSDOTTSWSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1CC=C(Cl)Cl ZINC000851980175 588651211 /nfs/dbraw/zinc/65/12/11/588651211.db2.gz QFCDTOCLTRLBEE-SSDOTTSWSA-N 1 2 247.129 1.974 20 0 BDADLO FC(F)(F)C[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851989412 588652710 /nfs/dbraw/zinc/65/27/10/588652710.db2.gz VJZRFEIJLHETKB-ZETCQYMHSA-N 1 2 235.209 1.844 20 0 BDADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851989412 588652711 /nfs/dbraw/zinc/65/27/11/588652711.db2.gz VJZRFEIJLHETKB-ZETCQYMHSA-N 1 2 235.209 1.844 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnon1 ZINC000851998524 588652967 /nfs/dbraw/zinc/65/29/67/588652967.db2.gz UUDBNKOZGIBQHD-HTRCEHHLSA-N 1 2 235.209 1.842 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cnon1 ZINC000851998524 588652968 /nfs/dbraw/zinc/65/29/68/588652968.db2.gz UUDBNKOZGIBQHD-HTRCEHHLSA-N 1 2 235.209 1.842 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cccc(F)n2)cnn1C ZINC000851997617 588653363 /nfs/dbraw/zinc/65/33/63/588653363.db2.gz MMNOPXNNHSQVTP-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cccc(F)n2)cnn1C ZINC000851997617 588653364 /nfs/dbraw/zinc/65/33/64/588653364.db2.gz MMNOPXNNHSQVTP-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO c1nonc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000852049335 588657727 /nfs/dbraw/zinc/65/77/27/588657727.db2.gz UNJNAAKGVRPBSN-UHFFFAOYSA-N 1 2 242.282 1.754 20 0 BDADLO c1nonc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000852049335 588657728 /nfs/dbraw/zinc/65/77/28/588657728.db2.gz UNJNAAKGVRPBSN-UHFFFAOYSA-N 1 2 242.282 1.754 20 0 BDADLO Fc1cccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000852065722 588658940 /nfs/dbraw/zinc/65/89/40/588658940.db2.gz KZVLPETWHPXPBW-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cccc(F)n1 ZINC000852090005 588660772 /nfs/dbraw/zinc/66/07/72/588660772.db2.gz ZFQKEJCKWUTFIZ-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cccc(F)n1 ZINC000852090005 588660773 /nfs/dbraw/zinc/66/07/73/588660773.db2.gz ZFQKEJCKWUTFIZ-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO c1nonc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000852087082 588660922 /nfs/dbraw/zinc/66/09/22/588660922.db2.gz CWEBMVVKBKAMQJ-UHFFFAOYSA-N 1 2 242.282 1.754 20 0 BDADLO c1nonc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000852087082 588660923 /nfs/dbraw/zinc/66/09/23/588660923.db2.gz CWEBMVVKBKAMQJ-UHFFFAOYSA-N 1 2 242.282 1.754 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCSC(C)(C)C ZINC000852158907 588668192 /nfs/dbraw/zinc/66/81/92/588668192.db2.gz JRTVJNOCFSGPEQ-LLVKDONJSA-N 1 2 249.376 1.032 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000852210599 588672507 /nfs/dbraw/zinc/67/25/07/588672507.db2.gz IHHUMEOCJVDIJE-LLVKDONJSA-N 1 2 225.292 1.459 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000852210599 588672508 /nfs/dbraw/zinc/67/25/08/588672508.db2.gz IHHUMEOCJVDIJE-LLVKDONJSA-N 1 2 225.292 1.459 20 0 BDADLO FC1(F)C[C@]12CCC[N@H+](Cc1cnon1)C2 ZINC000852213251 588672956 /nfs/dbraw/zinc/67/29/56/588672956.db2.gz JTVMVTVJNIVCSP-VIFPVBQESA-N 1 2 229.230 1.691 20 0 BDADLO FC1(F)C[C@]12CCC[N@@H+](Cc1cnon1)C2 ZINC000852213251 588672957 /nfs/dbraw/zinc/67/29/57/588672957.db2.gz JTVMVTVJNIVCSP-VIFPVBQESA-N 1 2 229.230 1.691 20 0 BDADLO c1nsnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219288 588673731 /nfs/dbraw/zinc/67/37/31/588673731.db2.gz LGJZKFZBEYLTCL-WPRPVWTQSA-N 1 2 209.318 1.913 20 0 BDADLO c1nsnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219288 588673732 /nfs/dbraw/zinc/67/37/32/588673732.db2.gz LGJZKFZBEYLTCL-WPRPVWTQSA-N 1 2 209.318 1.913 20 0 BDADLO CC(C)CONC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000852223115 588673937 /nfs/dbraw/zinc/67/39/37/588673937.db2.gz QADVMJSXLKYYOF-VIFPVBQESA-N 1 2 240.307 1.368 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NOC/C=C/Cl ZINC000852348775 588679266 /nfs/dbraw/zinc/67/92/66/588679266.db2.gz RIHRWSCYFUFDOH-NSCUHMNNSA-N 1 2 244.682 1.235 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NOC/C=C/Cl ZINC000852348775 588679267 /nfs/dbraw/zinc/67/92/67/588679267.db2.gz RIHRWSCYFUFDOH-NSCUHMNNSA-N 1 2 244.682 1.235 20 0 BDADLO Cc1cnc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cn1 ZINC000852441662 588682807 /nfs/dbraw/zinc/68/28/07/588682807.db2.gz PUHPRHIURWPXAN-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cnc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cn1 ZINC000852441662 588682808 /nfs/dbraw/zinc/68/28/08/588682808.db2.gz PUHPRHIURWPXAN-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO C[C@@H]1C[NH+](C[C@H](O)c2ccccn2)C[C@@H](C)C1=O ZINC000852477602 588683120 /nfs/dbraw/zinc/68/31/20/588683120.db2.gz URKDHLBXXDTIRZ-WZRBSPASSA-N 1 2 248.326 1.272 20 0 BDADLO COCC[N@H+](CCF)Cc1ncccc1C ZINC000852481090 588684365 /nfs/dbraw/zinc/68/43/65/588684365.db2.gz HEMJZERMKWJHGM-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1ncccc1C ZINC000852481090 588684366 /nfs/dbraw/zinc/68/43/66/588684366.db2.gz HEMJZERMKWJHGM-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@H+](CCF)Cc1cncc(F)c1 ZINC000852481909 588684725 /nfs/dbraw/zinc/68/47/25/588684725.db2.gz UCCGVBCQXSOCSZ-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COCC[N@@H+](CCF)Cc1cncc(F)c1 ZINC000852481909 588684726 /nfs/dbraw/zinc/68/47/26/588684726.db2.gz UCCGVBCQXSOCSZ-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cnon1 ZINC000852637422 588693669 /nfs/dbraw/zinc/69/36/69/588693669.db2.gz XIQSZMWDUZNGCX-SNVBAGLBSA-N 1 2 237.303 1.603 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cnon1 ZINC000852637422 588693670 /nfs/dbraw/zinc/69/36/70/588693670.db2.gz XIQSZMWDUZNGCX-SNVBAGLBSA-N 1 2 237.303 1.603 20 0 BDADLO CCc1ncsc1C(=O)OCC[NH+]1CCC1 ZINC000861388416 589163094 /nfs/dbraw/zinc/16/30/94/589163094.db2.gz KIUCYWKJQQGPHG-UHFFFAOYSA-N 1 2 240.328 1.568 20 0 BDADLO O=C(OCC[NH+]1CCC1)c1sccc1F ZINC000861391196 589164461 /nfs/dbraw/zinc/16/44/61/589164461.db2.gz QHLUGVNGQDXCRE-UHFFFAOYSA-N 1 2 229.276 1.750 20 0 BDADLO CCC[C@H](OCC)C(=O)NCc1c[nH+]cn1C ZINC000861752364 589176549 /nfs/dbraw/zinc/17/65/49/589176549.db2.gz GSQQTIJBFLNWJU-NSHDSACASA-N 1 2 239.319 1.242 20 0 BDADLO CCO[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000861852844 589180327 /nfs/dbraw/zinc/18/03/27/589180327.db2.gz LHMSTYLPROMYAZ-MNOVXSKESA-N 1 2 249.314 1.259 20 0 BDADLO Cc1c(F)nccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000862213707 589194533 /nfs/dbraw/zinc/19/45/33/589194533.db2.gz VHAQVJTWYKWGMW-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(F)nccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000862213707 589194534 /nfs/dbraw/zinc/19/45/34/589194534.db2.gz VHAQVJTWYKWGMW-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(F)nccc1C[N@@H+]1CCn2cnnc2C1 ZINC000862240515 589196147 /nfs/dbraw/zinc/19/61/47/589196147.db2.gz OJJMMVRGQCGNOU-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1c(F)nccc1C[N@H+]1CCn2cnnc2C1 ZINC000862240515 589196148 /nfs/dbraw/zinc/19/61/48/589196148.db2.gz OJJMMVRGQCGNOU-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000862335192 589201151 /nfs/dbraw/zinc/20/11/51/589201151.db2.gz AEJPKHILLZQNFW-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1C[C@@H]2C[C@@H]2C1 ZINC000862553040 589221142 /nfs/dbraw/zinc/22/11/42/589221142.db2.gz COHXVZVKVSQQDY-AOOOYVTPSA-N 1 2 227.267 1.426 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)C2)C1 ZINC000119193584 589247768 /nfs/dbraw/zinc/24/77/68/589247768.db2.gz XSLPZSOVBJARJX-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)C2)C1 ZINC000119193584 589247769 /nfs/dbraw/zinc/24/77/69/589247769.db2.gz XSLPZSOVBJARJX-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CCC(=CC(=O)NC[C@@H]1COCC[N@@H+]1C)CC ZINC000862971815 589250301 /nfs/dbraw/zinc/25/03/01/589250301.db2.gz WXDOIJWFTLBETJ-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CCC(=CC(=O)NC[C@@H]1COCC[N@H+]1C)CC ZINC000862971815 589250302 /nfs/dbraw/zinc/25/03/02/589250302.db2.gz WXDOIJWFTLBETJ-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C(/C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862971537 589250411 /nfs/dbraw/zinc/25/04/11/589250411.db2.gz UQWSCYOCBLITCE-NLYDNYMLSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C(/C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862971537 589250412 /nfs/dbraw/zinc/25/04/12/589250412.db2.gz UQWSCYOCBLITCE-NLYDNYMLSA-N 1 2 240.347 1.180 20 0 BDADLO CCO[C@@H](CO[NH+]=C(N)COC(C)C)C1CC1 ZINC000863455363 589289186 /nfs/dbraw/zinc/28/91/86/589289186.db2.gz FTOHBBUEUYSMOG-NSHDSACASA-N 1 2 244.335 1.725 20 0 BDADLO CCc1noc([C@@H]2C[N@H+](CC)CCO2)n1 ZINC000863456671 589289295 /nfs/dbraw/zinc/28/92/95/589289295.db2.gz DMMXKTNBMIJRLT-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO CCc1noc([C@@H]2C[N@@H+](CC)CCO2)n1 ZINC000863456671 589289296 /nfs/dbraw/zinc/28/92/96/589289296.db2.gz DMMXKTNBMIJRLT-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC1CC(C)(C)C1 ZINC000863459017 589290005 /nfs/dbraw/zinc/29/00/05/589290005.db2.gz JGVHJQKZXPCQIP-MRVPVSSYSA-N 1 2 214.309 1.956 20 0 BDADLO CCO[C@@H](CO[NH+]=C(N)[C@@H](C)OC)C1CC1 ZINC000863458641 589290051 /nfs/dbraw/zinc/29/00/51/589290051.db2.gz BWONYEMSBYKPKJ-SCZZXKLOSA-N 1 2 230.308 1.335 20 0 BDADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000863461020 589290460 /nfs/dbraw/zinc/29/04/60/589290460.db2.gz SPXQQOIMSJQSKD-MWLCHTKSSA-N 1 2 219.288 1.779 20 0 BDADLO CC(C)c1nnc(CO[NH+]=C(N)CCO)s1 ZINC000863467575 589290867 /nfs/dbraw/zinc/29/08/67/589290867.db2.gz BLVZPHDCPWKFID-UHFFFAOYSA-N 1 2 244.320 1.042 20 0 BDADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000863474231 589291255 /nfs/dbraw/zinc/29/12/55/589291255.db2.gz ACFOBCNFIVNHKQ-GMTAPVOTSA-N 1 2 242.319 1.194 20 0 BDADLO COC1(C(N)=[NH+]OCCC(C)(C)O)CCCC1 ZINC000863477704 589292336 /nfs/dbraw/zinc/29/23/36/589292336.db2.gz UEPZKUBCIKUCJU-UHFFFAOYSA-N 1 2 244.335 1.605 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000863577693 589301449 /nfs/dbraw/zinc/30/14/49/589301449.db2.gz HHSPFUHNVNQORJ-SNVBAGLBSA-N 1 2 230.258 1.750 20 0 BDADLO Cc1n[nH]c(C)c1-c1c[nH+]c(N)c(C)c1 ZINC000863695311 589311440 /nfs/dbraw/zinc/31/14/40/589311440.db2.gz AZBLYKRGTWTDLK-UHFFFAOYSA-N 1 2 202.261 1.979 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCC12CC2 ZINC000863775313 589316385 /nfs/dbraw/zinc/31/63/85/589316385.db2.gz JZAGYFOTVXOWID-SNVBAGLBSA-N 1 2 233.315 1.649 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1[nH]cc[nH+]1 ZINC000863918584 589325853 /nfs/dbraw/zinc/32/58/53/589325853.db2.gz IZMSSQUCPNPDKQ-OPRDCNLKSA-N 1 2 245.282 1.984 20 0 BDADLO COCc1cc(C[NH+]2CC3(CC3)C2)no1 ZINC000864049321 589334091 /nfs/dbraw/zinc/33/40/91/589334091.db2.gz OKYKUBUVZVNYML-UHFFFAOYSA-N 1 2 208.261 1.417 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)C2(CCC2)CO1 ZINC000864049977 589334971 /nfs/dbraw/zinc/33/49/71/589334971.db2.gz QBHCPHPBESDNCA-SNVBAGLBSA-N 1 2 248.330 1.202 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)C2(CCC2)CO1 ZINC000864049977 589334972 /nfs/dbraw/zinc/33/49/72/589334972.db2.gz QBHCPHPBESDNCA-SNVBAGLBSA-N 1 2 248.330 1.202 20 0 BDADLO CC1(C)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1(F)F ZINC000864074546 589339781 /nfs/dbraw/zinc/33/97/81/589339781.db2.gz XOSNLAKQECSWAD-MRVPVSSYSA-N 1 2 243.257 1.360 20 0 BDADLO CC1(C)[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)C1(F)F ZINC000864074546 589339784 /nfs/dbraw/zinc/33/97/84/589339784.db2.gz XOSNLAKQECSWAD-MRVPVSSYSA-N 1 2 243.257 1.360 20 0 BDADLO CS[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000864092310 589343898 /nfs/dbraw/zinc/34/38/98/589343898.db2.gz ZBECXFXGQRNXNP-MGCOHNPYSA-N 1 2 224.329 1.880 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](C)C2(CO)CC2)[nH+]1 ZINC000864091477 589343947 /nfs/dbraw/zinc/34/39/47/589343947.db2.gz OOLBAGQCZPWEMD-UWVGGRQHSA-N 1 2 236.315 1.708 20 0 BDADLO CCON(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864427474 589362010 /nfs/dbraw/zinc/36/20/10/589362010.db2.gz POVMWRLIGORUIP-SNVBAGLBSA-N 1 2 240.307 1.255 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000864604115 589382318 /nfs/dbraw/zinc/38/23/18/589382318.db2.gz NKTSUZYRSZGQAX-BZNPZCIMSA-N 1 2 224.329 1.498 20 0 BDADLO C[C@@H](N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)(C)C ZINC000864777013 589394162 /nfs/dbraw/zinc/39/41/62/589394162.db2.gz HUJFATFUNUOTJK-SCZZXKLOSA-N 1 2 239.319 1.336 20 0 BDADLO CC(C)N(CC1CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864854754 589397943 /nfs/dbraw/zinc/39/79/43/589397943.db2.gz DOVNPKCVHZOMBR-LLVKDONJSA-N 1 2 237.303 1.090 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864866295 589398764 /nfs/dbraw/zinc/39/87/64/589398764.db2.gz AORULAVGCHTBLB-SCZZXKLOSA-N 1 2 225.292 1.090 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000864883350 589399840 /nfs/dbraw/zinc/39/98/40/589399840.db2.gz AAMNVUYFNIKABT-SYLRKERUSA-N 1 2 247.342 1.680 20 0 BDADLO NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000205127528 589404984 /nfs/dbraw/zinc/40/49/84/589404984.db2.gz ABPHJXNRMSFFGP-DAXSKMNVSA-N 1 2 245.326 1.396 20 0 BDADLO CCOC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374521 589427694 /nfs/dbraw/zinc/42/76/94/589427694.db2.gz FTPMNAABSJRJTC-UHFFFAOYSA-N 1 2 210.277 1.744 20 0 BDADLO CC(=O)NCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865407543 589433633 /nfs/dbraw/zinc/43/36/33/589433633.db2.gz ZEFPGOYSVNYEAM-UHFFFAOYSA-N 1 2 236.319 1.223 20 0 BDADLO Cc1cc(CNCc2cn(C3CC3)c[nH+]2)no1 ZINC000865430448 589435216 /nfs/dbraw/zinc/43/52/16/589435216.db2.gz IHDQZFULWBDWBC-UHFFFAOYSA-N 1 2 232.287 1.804 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865534573 589444071 /nfs/dbraw/zinc/44/40/71/589444071.db2.gz AWOCNMRDSFAOJD-HOSYDEDBSA-N 1 2 238.331 1.954 20 0 BDADLO CC(=O)c1cccc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000865542693 589444964 /nfs/dbraw/zinc/44/49/64/589444964.db2.gz WMHPRCBAQJEWFD-UHFFFAOYSA-N 1 2 230.271 1.644 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccn(C)n1 ZINC000865601406 589450316 /nfs/dbraw/zinc/45/03/16/589450316.db2.gz RQZGOUHSWJNQJJ-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO C[C@@H](NCc1cn(C2CC2)c[nH+]1)c1ccn(C)n1 ZINC000865601406 589450317 /nfs/dbraw/zinc/45/03/17/589450317.db2.gz RQZGOUHSWJNQJJ-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO C[C@@H](NCc1cn(C2CC2)c[nH+]1)c1csnn1 ZINC000865604710 589450389 /nfs/dbraw/zinc/45/03/89/589450389.db2.gz WAEAMXGCJHBCPC-MRVPVSSYSA-N 1 2 249.343 1.920 20 0 BDADLO C/C=C/C[C@H](CO)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865682520 589455741 /nfs/dbraw/zinc/45/57/41/589455741.db2.gz GOBITCHEQBQTRF-ISBNUJHVSA-N 1 2 236.315 1.874 20 0 BDADLO C/C=C/C[C@H](CO)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865682522 589455909 /nfs/dbraw/zinc/45/59/09/589455909.db2.gz GOBITCHEQBQTRF-KJDJKKKBSA-N 1 2 236.315 1.874 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ccnc(F)c1 ZINC000865722009 589458457 /nfs/dbraw/zinc/45/84/57/589458457.db2.gz CMDXCMVZCDSLTM-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO CC(=O)c1cccc(NCc2c[nH+]cn2C)n1 ZINC000865814850 589462913 /nfs/dbraw/zinc/46/29/13/589462913.db2.gz OKAGETACLYCLSR-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865819098 589463278 /nfs/dbraw/zinc/46/32/78/589463278.db2.gz CCCRAZKATFIYHJ-BBBLOLIVSA-N 1 2 224.304 1.970 20 0 BDADLO CC[C@H](O)CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865826196 589463497 /nfs/dbraw/zinc/46/34/97/589463497.db2.gz LPRXUELZAYQYQJ-LURJTMIESA-N 1 2 240.694 1.794 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccnn1C ZINC000865838323 589464075 /nfs/dbraw/zinc/46/40/75/589464075.db2.gz TZBOTRFQJPNOFS-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO Cc1ccc[nH+]c1CCNc1ccc(F)nn1 ZINC000865851471 589464954 /nfs/dbraw/zinc/46/49/54/589464954.db2.gz NTCUKTFMDBYHIW-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Cc1ccc(CCNc2ccc(F)nn2)[nH+]c1 ZINC000865866719 589465858 /nfs/dbraw/zinc/46/58/58/589465858.db2.gz QETYPKALAYMXIZ-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO CC(C)(C)[C@H]([NH2+]Cc1cscn1)C(N)=O ZINC000120786852 589466246 /nfs/dbraw/zinc/46/62/46/589466246.db2.gz UXVNFDVRRDTEMU-MRVPVSSYSA-N 1 2 227.333 1.133 20 0 BDADLO CC(C)Cc1cc(NC[C@@H]2CNC(=O)C2)nc[nH+]1 ZINC000865875339 589466750 /nfs/dbraw/zinc/46/67/50/589466750.db2.gz NYRNRIBIARQOQW-SNVBAGLBSA-N 1 2 248.330 1.223 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C)n1)C(OC)OC ZINC000865924194 589468654 /nfs/dbraw/zinc/46/86/54/589468654.db2.gz JCLYLIUTRQITDC-SECBINFHSA-N 1 2 225.292 1.594 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000866054795 589474074 /nfs/dbraw/zinc/47/40/74/589474074.db2.gz KADHVXPDPYYCOF-WCABBAIRSA-N 1 2 237.303 1.090 20 0 BDADLO OC/C=C/C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866388942 589489433 /nfs/dbraw/zinc/48/94/33/589489433.db2.gz OONYJGMREYKSJW-NAGRZINJSA-N 1 2 237.274 1.596 20 0 BDADLO OC/C=C/C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866388940 589489454 /nfs/dbraw/zinc/48/94/54/589489454.db2.gz OONYJGMREYKSJW-JCMPJRQWSA-N 1 2 237.274 1.596 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccnn1C ZINC000866613221 589504980 /nfs/dbraw/zinc/50/49/80/589504980.db2.gz GLWYWVFFHDLPOO-GXSJLCMTSA-N 1 2 245.330 1.871 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccnn1C ZINC000866613223 589504984 /nfs/dbraw/zinc/50/49/84/589504984.db2.gz GLWYWVFFHDLPOO-MWLCHTKSSA-N 1 2 245.330 1.871 20 0 BDADLO CCN(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867712908 589531640 /nfs/dbraw/zinc/53/16/40/589531640.db2.gz JOPFDCYEVDCFCL-JTQLQIEISA-N 1 2 231.315 1.082 20 0 BDADLO CCN(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867712908 589531641 /nfs/dbraw/zinc/53/16/41/589531641.db2.gz JOPFDCYEVDCFCL-JTQLQIEISA-N 1 2 231.315 1.082 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)OCCF ZINC000867714307 589531691 /nfs/dbraw/zinc/53/16/91/589531691.db2.gz ZXVQEDBEKLASBC-SECBINFHSA-N 1 2 236.262 1.116 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)OCCF ZINC000867714307 589531692 /nfs/dbraw/zinc/53/16/92/589531692.db2.gz ZXVQEDBEKLASBC-SECBINFHSA-N 1 2 236.262 1.116 20 0 BDADLO CC(C)(CNC(=O)OCCF)n1cc[nH+]c1 ZINC000867724021 589532326 /nfs/dbraw/zinc/53/23/26/589532326.db2.gz OPABBFDEFIWHQI-UHFFFAOYSA-N 1 2 229.255 1.314 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1ccncc1 ZINC000868412866 589557015 /nfs/dbraw/zinc/55/70/15/589557015.db2.gz KAYPPMGXEZUYJU-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO Cc1cc(F)ncc1C(=O)NCc1c[nH+]cn1C ZINC000868413264 589557558 /nfs/dbraw/zinc/55/75/58/589557558.db2.gz QLNKOFZZAOQPQM-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868467386 589559284 /nfs/dbraw/zinc/55/92/84/589559284.db2.gz JDYYBHQIVPSULM-ONGXEEELSA-N 1 2 239.319 1.480 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000868505955 589561474 /nfs/dbraw/zinc/56/14/74/589561474.db2.gz GBPUUZHNXXJLNE-VKDKVYATSA-N 1 2 211.240 1.850 20 0 BDADLO CCC=C(F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000868505955 589561475 /nfs/dbraw/zinc/56/14/75/589561475.db2.gz GBPUUZHNXXJLNE-VKDKVYATSA-N 1 2 211.240 1.850 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(C1CCC1)C1CCC1 ZINC000868536344 589563344 /nfs/dbraw/zinc/56/33/44/589563344.db2.gz MEZRVQLNNMXZIV-LBPRGKRZSA-N 1 2 249.314 1.377 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868619672 589568422 /nfs/dbraw/zinc/56/84/22/589568422.db2.gz IHDYZKDVWWHUTG-DGORSVRFSA-N 1 2 245.326 1.736 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@@H](C)O1 ZINC000868621504 589568742 /nfs/dbraw/zinc/56/87/42/589568742.db2.gz WGPLIWPNBSSVGK-CHWFTXMASA-N 1 2 249.314 1.258 20 0 BDADLO CC[C@@H](CO)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000868678771 589572442 /nfs/dbraw/zinc/57/24/42/589572442.db2.gz MWSMJCCGIJJJGA-UWVGGRQHSA-N 1 2 239.319 1.099 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000868710691 589574316 /nfs/dbraw/zinc/57/43/16/589574316.db2.gz KNHRIVOMLAQUSG-JFGNBEQYSA-N 1 2 249.314 1.092 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)C2CC2)c1 ZINC000122283215 589576752 /nfs/dbraw/zinc/57/67/52/589576752.db2.gz AGJFJIJHMVTSRH-UHFFFAOYSA-N 1 2 221.256 1.852 20 0 BDADLO C[N@H+](Cc1ccsc1)[C@@H]1CCOC1=O ZINC000122470314 589592704 /nfs/dbraw/zinc/59/27/04/589592704.db2.gz FAEKYCZNBAJBIG-SECBINFHSA-N 1 2 211.286 1.495 20 0 BDADLO C[N@@H+](Cc1ccsc1)[C@@H]1CCOC1=O ZINC000122470314 589592706 /nfs/dbraw/zinc/59/27/06/589592706.db2.gz FAEKYCZNBAJBIG-SECBINFHSA-N 1 2 211.286 1.495 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]12C[C@H]1CCCC2 ZINC000869223366 589592770 /nfs/dbraw/zinc/59/27/70/589592770.db2.gz HAIOHIQVWSHWDD-ZWNOBZJWSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]12C[C@H]1CCCC2 ZINC000869223366 589592771 /nfs/dbraw/zinc/59/27/71/589592771.db2.gz HAIOHIQVWSHWDD-ZWNOBZJWSA-N 1 2 233.315 1.948 20 0 BDADLO CC/C=C(\F)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000869223801 589592869 /nfs/dbraw/zinc/59/28/69/589592869.db2.gz KAPUGMOKMZDOAX-WTKPLQERSA-N 1 2 211.240 1.632 20 0 BDADLO CC/C=C(\F)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000869223801 589592870 /nfs/dbraw/zinc/59/28/70/589592870.db2.gz KAPUGMOKMZDOAX-WTKPLQERSA-N 1 2 211.240 1.632 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000869223665 589593037 /nfs/dbraw/zinc/59/30/37/589593037.db2.gz JMAIUEIRCYGSJN-SASUGWTJSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000869223665 589593038 /nfs/dbraw/zinc/59/30/38/589593038.db2.gz JMAIUEIRCYGSJN-SASUGWTJSA-N 1 2 233.315 1.660 20 0 BDADLO COc1cncc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000869755840 589627808 /nfs/dbraw/zinc/62/78/08/589627808.db2.gz ICWNCJRTWHWDER-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO COc1cncc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000869758563 589628244 /nfs/dbraw/zinc/62/82/44/589628244.db2.gz HTURXBOKWIKSKX-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCc2c[nH+]cn2C)[C@@H](C)O1 ZINC000870220332 589650074 /nfs/dbraw/zinc/65/00/74/589650074.db2.gz UUSKHWBXDFIKKT-KKZNHRDASA-N 1 2 238.287 1.277 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)OC1CC1 ZINC000870304394 589657218 /nfs/dbraw/zinc/65/72/18/589657218.db2.gz AJZFNRNGJGPGHB-UHFFFAOYSA-N 1 2 234.230 1.722 20 0 BDADLO Cc1conc1C(=O)OCCn1cc[nH+]c1 ZINC000870317754 589658297 /nfs/dbraw/zinc/65/82/97/589658297.db2.gz RCAVFFIYJUNMMK-UHFFFAOYSA-N 1 2 221.216 1.037 20 0 BDADLO COC(C)(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000871258389 589751716 /nfs/dbraw/zinc/75/17/16/589751716.db2.gz MUARTRURIVXKRV-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COC(C)(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000871258389 589751718 /nfs/dbraw/zinc/75/17/18/589751718.db2.gz MUARTRURIVXKRV-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO NC(COC1CCC1)=[NH+]OCC1CCC1 ZINC000871775576 589814089 /nfs/dbraw/zinc/81/40/89/589814089.db2.gz MTTAFIXSQYSTBE-UHFFFAOYSA-N 1 2 212.293 1.854 20 0 BDADLO NC(COC1CCC1)=[NH+]OCCOC(F)F ZINC000871778495 589814114 /nfs/dbraw/zinc/81/41/14/589814114.db2.gz KFMLPUWSUJOJSZ-UHFFFAOYSA-N 1 2 238.234 1.293 20 0 BDADLO Cc1ccncc1CO[NH+]=C(N)COC1CCC1 ZINC000871778968 589814709 /nfs/dbraw/zinc/81/47/09/589814709.db2.gz YZGBYRGARCRVEU-UHFFFAOYSA-N 1 2 249.314 1.958 20 0 BDADLO CC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)C(=O)OC ZINC000871917431 589832531 /nfs/dbraw/zinc/83/25/31/589832531.db2.gz YUMSAFAFEIADRM-IWSPIJDZSA-N 1 2 217.334 1.422 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CCOCC1)C(=O)OC ZINC000871929404 589833656 /nfs/dbraw/zinc/83/36/56/589833656.db2.gz XWZFCCXFBKJESL-QJPTWQEYSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1ccccc1Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000871945247 589838520 /nfs/dbraw/zinc/83/85/20/589838520.db2.gz YEAWWBNLPZRWHB-GFCCVEGCSA-N 1 2 243.310 1.303 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cncnc1C ZINC000872134245 589878191 /nfs/dbraw/zinc/87/81/91/589878191.db2.gz ASOICNDRNDMFAX-ZETCQYMHSA-N 1 2 233.275 1.327 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cncs1 ZINC000872134964 589878252 /nfs/dbraw/zinc/87/82/52/589878252.db2.gz ARDOMPRNRGSXGA-SSDOTTSWSA-N 1 2 224.289 1.685 20 0 BDADLO CC[C@@H](NCc1nonc1C)c1[nH+]ccn1C ZINC000872135046 589878415 /nfs/dbraw/zinc/87/84/15/589878415.db2.gz CGSXIXRQBYNOIL-SECBINFHSA-N 1 2 235.291 1.352 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000872136832 589878793 /nfs/dbraw/zinc/87/87/93/589878793.db2.gz PIGRAHLUZIZCNI-SSDOTTSWSA-N 1 2 247.302 1.636 20 0 BDADLO CCn1ncc(N[C@@H]2CCn3cc[nH+]c32)c1C ZINC000872139519 589880572 /nfs/dbraw/zinc/88/05/72/589880572.db2.gz KVRXQHOKSBERIB-SNVBAGLBSA-N 1 2 231.303 1.965 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1OCC2 ZINC000872272722 589903412 /nfs/dbraw/zinc/90/34/12/589903412.db2.gz JFEKOUULYCQAMP-YPMHNXCESA-N 1 2 249.314 1.101 20 0 BDADLO CC[C@H](C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872298806 589907942 /nfs/dbraw/zinc/90/79/42/589907942.db2.gz PBLYHMXUBWSPDB-NSHDSACASA-N 1 2 247.342 1.906 20 0 BDADLO Cc1c(F)ncnc1N(C)CCCn1cc[nH+]c1 ZINC000872487020 589943876 /nfs/dbraw/zinc/94/38/76/589943876.db2.gz XAUCAORYZLBLLC-UHFFFAOYSA-N 1 2 249.293 1.647 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)nc(N)[nH+]1 ZINC000872696166 589962427 /nfs/dbraw/zinc/96/24/27/589962427.db2.gz MSWWBOWWEUKYAF-LPEHRKFASA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)[nH+]1 ZINC000872696166 589962428 /nfs/dbraw/zinc/96/24/28/589962428.db2.gz MSWWBOWWEUKYAF-LPEHRKFASA-N 1 2 249.318 1.132 20 0 BDADLO O[C@H]1C[C@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000872719897 589965029 /nfs/dbraw/zinc/96/50/29/589965029.db2.gz KTUNOEJAABPTKW-CZMCAQCFSA-N 1 2 234.303 1.234 20 0 BDADLO O[C@H]1C[C@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000872719897 589965031 /nfs/dbraw/zinc/96/50/31/589965031.db2.gz KTUNOEJAABPTKW-CZMCAQCFSA-N 1 2 234.303 1.234 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)[nH]n1 ZINC000873155934 589988117 /nfs/dbraw/zinc/98/81/17/589988117.db2.gz INDCSUJBGXOHAX-ADEWGFFLSA-N 1 2 221.304 1.457 20 0 BDADLO CCc1ncc(C[NH2+]Cc2nonc2C)cn1 ZINC000873195877 589991073 /nfs/dbraw/zinc/99/10/73/589991073.db2.gz FCLOAMIGPSZMCC-UHFFFAOYSA-N 1 2 233.275 1.020 20 0 BDADLO CC[C@@H](OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)=O ZINC000873385384 590035791 /nfs/dbraw/zinc/03/57/91/590035791.db2.gz VAGQVVGVFBJOGY-JFGNBEQYSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)=O ZINC000873385384 590035795 /nfs/dbraw/zinc/03/57/95/590035795.db2.gz VAGQVVGVFBJOGY-JFGNBEQYSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(C)=O ZINC000873403041 590038508 /nfs/dbraw/zinc/03/85/08/590038508.db2.gz BMHCHLYWDOQMLG-GXSJLCMTSA-N 1 2 238.287 1.745 20 0 BDADLO CCC[C@@H](CC)C(=O)NCc1[nH+]ccn1C ZINC000874346329 590105201 /nfs/dbraw/zinc/10/52/01/590105201.db2.gz QYSPQDSYZIYURW-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000874776358 590128958 /nfs/dbraw/zinc/12/89/58/590128958.db2.gz AHGATEOUBOUVBA-WDEREUQCSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(NCCC1CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875369504 590163147 /nfs/dbraw/zinc/16/31/47/590163147.db2.gz XEBBVUGUTDPWOZ-LLVKDONJSA-N 1 2 248.330 1.297 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000875519233 590165036 /nfs/dbraw/zinc/16/50/36/590165036.db2.gz ZLYQTFYKOSHJLT-OUAUKWLOSA-N 1 2 248.330 1.296 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N(C1CC1)C1CC1 ZINC000875591365 590166203 /nfs/dbraw/zinc/16/62/03/590166203.db2.gz KIBNFTDJVIKQNH-UHFFFAOYSA-N 1 2 234.303 1.257 20 0 BDADLO NC(=O)[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876523005 590208143 /nfs/dbraw/zinc/20/81/43/590208143.db2.gz IGLXDHNBOLSFNL-LURJTMIESA-N 1 2 245.735 1.104 20 0 BDADLO NC(=O)[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876523005 590208145 /nfs/dbraw/zinc/20/81/45/590208145.db2.gz IGLXDHNBOLSFNL-LURJTMIESA-N 1 2 245.735 1.104 20 0 BDADLO COCC[N@H+](C)Cc1nc(Cl)cs1 ZINC000876563834 590216226 /nfs/dbraw/zinc/21/62/26/590216226.db2.gz DMOSWXDDUMZVOP-UHFFFAOYSA-N 1 2 220.725 1.875 20 0 BDADLO COCC[N@@H+](C)Cc1nc(Cl)cs1 ZINC000876563834 590216228 /nfs/dbraw/zinc/21/62/28/590216228.db2.gz DMOSWXDDUMZVOP-UHFFFAOYSA-N 1 2 220.725 1.875 20 0 BDADLO COCC[N@H+](C)Cc1cc(OC)cnc1F ZINC000876564476 590216449 /nfs/dbraw/zinc/21/64/49/590216449.db2.gz LOPWYDWFPDREMX-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO COCC[N@@H+](C)Cc1cc(OC)cnc1F ZINC000876564476 590216450 /nfs/dbraw/zinc/21/64/50/590216450.db2.gz LOPWYDWFPDREMX-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO CCOc1cc(F)cc(C[N@H+](C)CC(N)=O)c1 ZINC000876566398 590217036 /nfs/dbraw/zinc/21/70/36/590217036.db2.gz ITCATSANGKQSDG-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CCOc1cc(F)cc(C[N@@H+](C)CC(N)=O)c1 ZINC000876566398 590217038 /nfs/dbraw/zinc/21/70/38/590217038.db2.gz ITCATSANGKQSDG-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1(C)CCCC1 ZINC000876749238 590237526 /nfs/dbraw/zinc/23/75/26/590237526.db2.gz MKPCUFFEARBHSI-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1(C)CCCC1 ZINC000876749238 590237528 /nfs/dbraw/zinc/23/75/28/590237528.db2.gz MKPCUFFEARBHSI-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc(C3CC3)no2)cn1 ZINC000876963849 590262028 /nfs/dbraw/zinc/26/20/28/590262028.db2.gz IOGHOUFTUGPUHM-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO C[NH2+]c1ccc(NN[C@H](C)c2ncnn2C)cc1 ZINC000877019931 590270104 /nfs/dbraw/zinc/27/01/04/590270104.db2.gz UURDOKNHJWARSH-SECBINFHSA-N 1 2 246.318 1.535 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]Cc2ccon2)[nH]1 ZINC000877076889 590278629 /nfs/dbraw/zinc/27/86/29/590278629.db2.gz WNXIQBUVUGVBPC-UHFFFAOYSA-N 1 2 249.270 1.469 20 0 BDADLO COC1(C)C[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000877534141 590350148 /nfs/dbraw/zinc/35/01/48/590350148.db2.gz ZBFWGBRESAONAR-ZETCQYMHSA-N 1 2 224.131 1.901 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(OC)cnc1F ZINC000877549509 590353767 /nfs/dbraw/zinc/35/37/67/590353767.db2.gz DZSOPMKGQCDUCJ-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(OC)cnc1F ZINC000877549509 590353770 /nfs/dbraw/zinc/35/37/70/590353770.db2.gz DZSOPMKGQCDUCJ-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO Cc1cnc(C[NH+]2CC3(C2)CCOC3)o1 ZINC000877554615 590356975 /nfs/dbraw/zinc/35/69/75/590356975.db2.gz MATJMOSTDSBHGK-UHFFFAOYSA-N 1 2 208.261 1.205 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2(C)CCCC2)C1 ZINC000877569398 590362313 /nfs/dbraw/zinc/36/23/13/590362313.db2.gz PDFGGRYTCXUNOW-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO COC1C[NH+](Cc2ccc3nccnc3c2)C1 ZINC000877580620 590364578 /nfs/dbraw/zinc/36/45/78/590364578.db2.gz VHKQEFDKFFLZDI-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO CCONC(=O)C[NH2+]CC1(C(C)C)CC1 ZINC000877614380 590373303 /nfs/dbraw/zinc/37/33/03/590373303.db2.gz XLUQSIGPKYLXTN-UHFFFAOYSA-N 1 2 214.309 1.080 20 0 BDADLO CCC[C@@H]([NH2+]CC(=O)NOCC)C1CCC1 ZINC000877614358 590373986 /nfs/dbraw/zinc/37/39/86/590373986.db2.gz XCGIMOMMAMQSLI-LLVKDONJSA-N 1 2 228.336 1.613 20 0 BDADLO CCn1ncc(C[NH+]2CCC(SC)CC2)n1 ZINC000877663747 590388205 /nfs/dbraw/zinc/38/82/05/590388205.db2.gz YJGUBHORGKUUDL-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO O=C1C[N@H+](Cc2cc3cccnc3o2)CCCN1 ZINC000877833536 590430274 /nfs/dbraw/zinc/43/02/74/590430274.db2.gz HQFXXLAERKTMPK-UHFFFAOYSA-N 1 2 245.282 1.150 20 0 BDADLO O=C1C[N@@H+](Cc2cc3cccnc3o2)CCCN1 ZINC000877833536 590430275 /nfs/dbraw/zinc/43/02/75/590430275.db2.gz HQFXXLAERKTMPK-UHFFFAOYSA-N 1 2 245.282 1.150 20 0 BDADLO Cc1cc(COCc2[nH]cc[nH+]2)c(C)nn1 ZINC000877883333 590438324 /nfs/dbraw/zinc/43/83/24/590438324.db2.gz FMRBSKAAKISHAL-UHFFFAOYSA-N 1 2 218.260 1.533 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2CC(F)F)CCO1 ZINC000877896375 590441459 /nfs/dbraw/zinc/44/14/59/590441459.db2.gz YPJCAXGUTIXGGI-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO OC1CCN(Cc2[nH+]ccn2CC(F)F)CC1 ZINC000877944991 590454767 /nfs/dbraw/zinc/45/47/67/590454767.db2.gz XRELBOFIURPTBB-UHFFFAOYSA-N 1 2 245.273 1.105 20 0 BDADLO OC1CC[NH+](Cc2nccn2CC(F)F)CC1 ZINC000877944991 590454768 /nfs/dbraw/zinc/45/47/68/590454768.db2.gz XRELBOFIURPTBB-UHFFFAOYSA-N 1 2 245.273 1.105 20 0 BDADLO CC[N@H+](CC(=O)N=S(C)(C)=O)C1CCCC1 ZINC000877969083 590461064 /nfs/dbraw/zinc/46/10/64/590461064.db2.gz WXKCDHZKYMIIMD-UHFFFAOYSA-N 1 2 246.376 1.505 20 0 BDADLO CC[N@@H+](CC(=O)N=S(C)(C)=O)C1CCCC1 ZINC000877969083 590461066 /nfs/dbraw/zinc/46/10/66/590461066.db2.gz WXKCDHZKYMIIMD-UHFFFAOYSA-N 1 2 246.376 1.505 20 0 BDADLO COCC[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000877986832 590466295 /nfs/dbraw/zinc/46/62/95/590466295.db2.gz UUDHPIHUNRHZLW-UHFFFAOYSA-N 1 2 224.304 1.632 20 0 BDADLO COCC[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000877986832 590466298 /nfs/dbraw/zinc/46/62/98/590466298.db2.gz UUDHPIHUNRHZLW-UHFFFAOYSA-N 1 2 224.304 1.632 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000877994899 590467656 /nfs/dbraw/zinc/46/76/56/590467656.db2.gz OSZATYIGCYYMQR-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000877994899 590467658 /nfs/dbraw/zinc/46/76/58/590467658.db2.gz OSZATYIGCYYMQR-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nocc2C)C[C@H](C)O1 ZINC000878095239 590491359 /nfs/dbraw/zinc/49/13/59/590491359.db2.gz VJACMBSZVDZMEQ-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H](C)O1 ZINC000878095239 590491361 /nfs/dbraw/zinc/49/13/61/590491361.db2.gz VJACMBSZVDZMEQ-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000878099757 590493958 /nfs/dbraw/zinc/49/39/58/590493958.db2.gz WKMSDKBVOAOZTO-LBPRGKRZSA-N 1 2 238.331 1.052 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000878099757 590493960 /nfs/dbraw/zinc/49/39/60/590493960.db2.gz WKMSDKBVOAOZTO-LBPRGKRZSA-N 1 2 238.331 1.052 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CC[C@@H](O)C(C)C)C1CC1 ZINC000878331238 590548757 /nfs/dbraw/zinc/54/87/57/590548757.db2.gz STCUBWMNLPFDGD-YPMHNXCESA-N 1 2 243.347 1.325 20 0 BDADLO CCC(CC)([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878423533 590565308 /nfs/dbraw/zinc/56/53/08/590565308.db2.gz SXUDWVDNZKFJRC-LLVKDONJSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1conc1C[NH2+][C@H](CO)c1ccsc1 ZINC000878442216 590568758 /nfs/dbraw/zinc/56/87/58/590568758.db2.gz KTJDSTUGRCRLEZ-LLVKDONJSA-N 1 2 238.312 1.868 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000878466241 590573368 /nfs/dbraw/zinc/57/33/68/590573368.db2.gz IXROKGZRTVQQAC-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000878466241 590573370 /nfs/dbraw/zinc/57/33/70/590573370.db2.gz IXROKGZRTVQQAC-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2nocc2C)CCO1 ZINC000878483748 590577687 /nfs/dbraw/zinc/57/76/87/590577687.db2.gz FPEGIVFQWXAHBV-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2nocc2C)CCO1 ZINC000878483748 590577688 /nfs/dbraw/zinc/57/76/88/590577688.db2.gz FPEGIVFQWXAHBV-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO O[C@@H]1C[N@H+](CCCC2CC2)CC(F)(F)C1 ZINC000878492922 590579303 /nfs/dbraw/zinc/57/93/03/590579303.db2.gz BYGGUQBPJBRBCV-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1C[N@@H+](CCCC2CC2)CC(F)(F)C1 ZINC000878492922 590579306 /nfs/dbraw/zinc/57/93/06/590579306.db2.gz BYGGUQBPJBRBCV-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO Cc1cc(C)c(CN[C@@]2(C)CCOC2=O)c(C)[nH+]1 ZINC000878633288 590598491 /nfs/dbraw/zinc/59/84/91/590598491.db2.gz XEEMLVVMGCFVFY-AWEZNQCLSA-N 1 2 248.326 1.802 20 0 BDADLO C=C/C=C/CC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000878681018 590608509 /nfs/dbraw/zinc/60/85/09/590608509.db2.gz BYRBURULMRUJEQ-AATRIKPKSA-N 1 2 229.345 1.238 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](C)C(C)(C)C ZINC000878700883 590611769 /nfs/dbraw/zinc/61/17/69/590611769.db2.gz VUVWIJFQMVWEIB-CABZTGNLSA-N 1 2 231.336 1.182 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N=S(C)(C)=O)[C@@H](C)[C@H]1C ZINC000878718598 590614864 /nfs/dbraw/zinc/61/48/64/590614864.db2.gz VGUDFDKCAWIXRR-UTLUCORTSA-N 1 2 246.376 1.217 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N=S(C)(C)=O)[C@@H](C)[C@H]1C ZINC000878718598 590614866 /nfs/dbraw/zinc/61/48/66/590614866.db2.gz VGUDFDKCAWIXRR-UTLUCORTSA-N 1 2 246.376 1.217 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC=C(Cl)C1 ZINC000878789698 590622100 /nfs/dbraw/zinc/62/21/00/590622100.db2.gz AHPVFGFUASNUES-UHFFFAOYSA-N 1 2 211.696 1.749 20 0 BDADLO Cn1nccc1C[N@H+]1CCC=C(Cl)C1 ZINC000878789698 590622101 /nfs/dbraw/zinc/62/21/01/590622101.db2.gz AHPVFGFUASNUES-UHFFFAOYSA-N 1 2 211.696 1.749 20 0 BDADLO CN1CCC[C@@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878790995 590622857 /nfs/dbraw/zinc/62/28/57/590622857.db2.gz AKUCEPLQSJBZEM-SNVBAGLBSA-N 1 2 228.723 1.436 20 0 BDADLO CN1CCC[C@@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878790995 590622858 /nfs/dbraw/zinc/62/28/58/590622858.db2.gz AKUCEPLQSJBZEM-SNVBAGLBSA-N 1 2 228.723 1.436 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793688 590624421 /nfs/dbraw/zinc/62/44/21/590624421.db2.gz SUASQTALJGYIMX-QMMMGPOBSA-N 1 2 216.712 1.292 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC=C(Cl)C1 ZINC000878793688 590624423 /nfs/dbraw/zinc/62/44/23/590624423.db2.gz SUASQTALJGYIMX-QMMMGPOBSA-N 1 2 216.712 1.292 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793877 590624579 /nfs/dbraw/zinc/62/45/79/590624579.db2.gz WICLHCDJHYHUPK-SNVBAGLBSA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793877 590624580 /nfs/dbraw/zinc/62/45/80/590624580.db2.gz WICLHCDJHYHUPK-SNVBAGLBSA-N 1 2 244.766 1.976 20 0 BDADLO C=C/C=C/CC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000878811489 590626457 /nfs/dbraw/zinc/62/64/57/590626457.db2.gz GTLJWXMZOIZWIF-ISZGNANSSA-N 1 2 247.342 1.926 20 0 BDADLO C=C/C=C/CC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000878811489 590626458 /nfs/dbraw/zinc/62/64/58/590626458.db2.gz GTLJWXMZOIZWIF-ISZGNANSSA-N 1 2 247.342 1.926 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H]2COC(=O)C2)c(C)[nH+]1 ZINC000878908507 590645514 /nfs/dbraw/zinc/64/55/14/590645514.db2.gz NULTZSCZTGBGHQ-VIFPVBQESA-N 1 2 249.270 1.135 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000878967190 590661771 /nfs/dbraw/zinc/66/17/71/590661771.db2.gz FWZNVFSQWYUKEB-YUMQZZPRSA-N 1 2 240.130 1.485 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000878967190 590661772 /nfs/dbraw/zinc/66/17/72/590661772.db2.gz FWZNVFSQWYUKEB-YUMQZZPRSA-N 1 2 240.130 1.485 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000878969148 590662804 /nfs/dbraw/zinc/66/28/04/590662804.db2.gz LTXQGNUYMPSTON-NEPJUHHUSA-N 1 2 243.347 1.639 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000878969148 590662808 /nfs/dbraw/zinc/66/28/08/590662808.db2.gz LTXQGNUYMPSTON-NEPJUHHUSA-N 1 2 243.347 1.639 20 0 BDADLO CO[C@@H]1C[N@H+](CCCOC(F)(F)F)CCO1 ZINC000878969339 590663582 /nfs/dbraw/zinc/66/35/82/590663582.db2.gz RTBCUJZMCKUWTA-QMMMGPOBSA-N 1 2 243.225 1.218 20 0 BDADLO CO[C@@H]1C[N@@H+](CCCOC(F)(F)F)CCO1 ZINC000878969339 590663583 /nfs/dbraw/zinc/66/35/83/590663583.db2.gz RTBCUJZMCKUWTA-QMMMGPOBSA-N 1 2 243.225 1.218 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000878968843 590663944 /nfs/dbraw/zinc/66/39/44/590663944.db2.gz CIZHDGGPQRCHBT-RYUDHWBXSA-N 1 2 241.331 1.393 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000878968843 590663947 /nfs/dbraw/zinc/66/39/47/590663947.db2.gz CIZHDGGPQRCHBT-RYUDHWBXSA-N 1 2 241.331 1.393 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000878968842 590664081 /nfs/dbraw/zinc/66/40/81/590664081.db2.gz CIZHDGGPQRCHBT-NWDGAFQWSA-N 1 2 241.331 1.393 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000878968842 590664084 /nfs/dbraw/zinc/66/40/84/590664084.db2.gz CIZHDGGPQRCHBT-NWDGAFQWSA-N 1 2 241.331 1.393 20 0 BDADLO O=C(COC1CC1)Nc1cccc2[nH+]ccn21 ZINC000878971596 590665339 /nfs/dbraw/zinc/66/53/39/590665339.db2.gz JYPFHEKUPGCUGR-UHFFFAOYSA-N 1 2 231.255 1.452 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2C[C@H](O)C2)c(C)c[nH+]1 ZINC000879075853 590693241 /nfs/dbraw/zinc/69/32/41/590693241.db2.gz QVXJFMGXPPOQQC-XYPYZODXSA-N 1 2 249.314 1.013 20 0 BDADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC000879219307 590716515 /nfs/dbraw/zinc/71/65/15/590716515.db2.gz OAFYZYUOAMIRHF-UWVGGRQHSA-N 1 2 244.310 1.650 20 0 BDADLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC000879219307 590716518 /nfs/dbraw/zinc/71/65/18/590716518.db2.gz OAFYZYUOAMIRHF-UWVGGRQHSA-N 1 2 244.310 1.650 20 0 BDADLO Cc1cc(NC(=O)COC2CC2)c(C)c[nH+]1 ZINC000879248797 590720678 /nfs/dbraw/zinc/72/06/78/590720678.db2.gz UPGIDGBQEQUPKS-UHFFFAOYSA-N 1 2 220.272 1.238 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC([C@@H](C)O)CC2)[nH]1 ZINC000879459315 590774140 /nfs/dbraw/zinc/77/41/40/590774140.db2.gz BBVAXQFBXQAZEY-RKDXNWHRSA-N 1 2 238.335 1.267 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)OCC(F)(F)F ZINC000879514852 590785569 /nfs/dbraw/zinc/78/55/69/590785569.db2.gz WZYOMOBXAVRBBC-UHFFFAOYSA-N 1 2 209.171 1.335 20 0 BDADLO CC1(C)C[C@H](O)C[N@H+](Cc2ncccn2)C1 ZINC000879621466 590824292 /nfs/dbraw/zinc/82/42/92/590824292.db2.gz CVBWAYCCJFQTFX-JTQLQIEISA-N 1 2 221.304 1.069 20 0 BDADLO CC1(C)C[C@H](O)C[N@@H+](Cc2ncccn2)C1 ZINC000879621466 590824297 /nfs/dbraw/zinc/82/42/97/590824297.db2.gz CVBWAYCCJFQTFX-JTQLQIEISA-N 1 2 221.304 1.069 20 0 BDADLO CC(C)c1noc(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000879684461 590846962 /nfs/dbraw/zinc/84/69/62/590846962.db2.gz XZIFCVIELNTZFG-VIFPVBQESA-N 1 2 249.318 1.777 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCC[C@@H](C)O ZINC000879983155 590902206 /nfs/dbraw/zinc/90/22/06/590902206.db2.gz VFKKFXIJTUKUTP-ZYHUDNBSSA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H]1CCCO1 ZINC000879984381 590903937 /nfs/dbraw/zinc/90/39/37/590903937.db2.gz ZVKOJNUMAVBAIK-RYUDHWBXSA-N 1 2 241.331 1.487 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879982666 590904196 /nfs/dbraw/zinc/90/41/96/590904196.db2.gz JYNMDVYUULCDAG-VXGBXAGGSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1csc([C@H]2CC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000880012594 590911066 /nfs/dbraw/zinc/91/10/66/590911066.db2.gz VDKBZLRUXJRSNY-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000880012594 590911068 /nfs/dbraw/zinc/91/10/68/590911068.db2.gz VDKBZLRUXJRSNY-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@H]2CC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000880012594 590911072 /nfs/dbraw/zinc/91/10/72/590911072.db2.gz VDKBZLRUXJRSNY-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000880012594 590911077 /nfs/dbraw/zinc/91/10/77/590911077.db2.gz VDKBZLRUXJRSNY-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@H]2CC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000880012594 590911081 /nfs/dbraw/zinc/91/10/81/590911081.db2.gz VDKBZLRUXJRSNY-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000880012594 590911083 /nfs/dbraw/zinc/91/10/83/590911083.db2.gz VDKBZLRUXJRSNY-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO COCC1([N@H+](C)Cc2cnsn2)CCC1 ZINC000880185316 590952390 /nfs/dbraw/zinc/95/23/90/590952390.db2.gz MFIBVSYNFWDQOH-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO COCC1([N@@H+](C)Cc2cnsn2)CCC1 ZINC000880185316 590952391 /nfs/dbraw/zinc/95/23/91/590952391.db2.gz MFIBVSYNFWDQOH-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CCc1nc(C[N@H+](C)C2(COC)CCC2)no1 ZINC000880186892 590953913 /nfs/dbraw/zinc/95/39/13/590953913.db2.gz UJUPJLGUPATRCM-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@@H+](C)C2(COC)CCC2)no1 ZINC000880186892 590953914 /nfs/dbraw/zinc/95/39/14/590953914.db2.gz UJUPJLGUPATRCM-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO O[C@H]1C[C@]([NH2+]Cc2cc[nH]n2)(c2ccccc2)C1 ZINC000880223270 590960013 /nfs/dbraw/zinc/96/00/13/590960013.db2.gz ZBCWKTLTBNYEIU-OKILXGFUSA-N 1 2 243.310 1.550 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237142 590967634 /nfs/dbraw/zinc/96/76/34/590967634.db2.gz QTDWKCQKYFAGNB-NSHDSACASA-N 1 2 240.326 1.870 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237142 590967636 /nfs/dbraw/zinc/96/76/36/590967636.db2.gz QTDWKCQKYFAGNB-NSHDSACASA-N 1 2 240.326 1.870 20 0 BDADLO CCc1nnc(C[NH+]2CCC(F)CC2)[nH]1 ZINC000880239714 590972254 /nfs/dbraw/zinc/97/22/54/590972254.db2.gz FIILTZWMPQJZON-UHFFFAOYSA-N 1 2 212.272 1.301 20 0 BDADLO CC(C)(C)n1ncnc1C[NH+]1CCC(F)CC1 ZINC000880239955 590973770 /nfs/dbraw/zinc/97/37/70/590973770.db2.gz UMFKZBDNVIKCCY-UHFFFAOYSA-N 1 2 240.326 1.967 20 0 BDADLO CC(C)Cn1ncnc1C[NH+]1CCC(F)CC1 ZINC000880240365 590974139 /nfs/dbraw/zinc/97/41/39/590974139.db2.gz WWBMZQAKOYSCBT-UHFFFAOYSA-N 1 2 240.326 1.868 20 0 BDADLO Cc1noc([C@@H](C)[NH+]2CCC(F)CC2)n1 ZINC000880242728 590975846 /nfs/dbraw/zinc/97/58/46/590975846.db2.gz JIXJVLZVZNPOCH-SSDOTTSWSA-N 1 2 213.256 1.873 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880293472 590987975 /nfs/dbraw/zinc/98/79/75/590987975.db2.gz LHMKGBHELKRJBV-QMMMGPOBSA-N 1 2 213.256 1.423 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880293472 590987977 /nfs/dbraw/zinc/98/79/77/590987977.db2.gz LHMKGBHELKRJBV-QMMMGPOBSA-N 1 2 213.256 1.423 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880316658 591002897 /nfs/dbraw/zinc/00/28/97/591002897.db2.gz JLWILUKBWUYGFO-IUCAKERBSA-N 1 2 238.312 1.248 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316658 591002899 /nfs/dbraw/zinc/00/28/99/591002899.db2.gz JLWILUKBWUYGFO-IUCAKERBSA-N 1 2 238.312 1.248 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](c3nccs3)C2)[nH]1 ZINC000880321527 591005536 /nfs/dbraw/zinc/00/55/36/591005536.db2.gz WBHJAJPWATVMPN-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](c3nccs3)C2)[nH]1 ZINC000880321527 591005540 /nfs/dbraw/zinc/00/55/40/591005540.db2.gz WBHJAJPWATVMPN-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880485340 591058333 /nfs/dbraw/zinc/05/83/33/591058333.db2.gz FKYJQLNCQUWJSJ-ZDUSSCGKSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880485340 591058336 /nfs/dbraw/zinc/05/83/36/591058336.db2.gz FKYJQLNCQUWJSJ-ZDUSSCGKSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@@H]2CO)sc1C ZINC000880485477 591059241 /nfs/dbraw/zinc/05/92/41/591059241.db2.gz CYUHULUKQITZKD-SNVBAGLBSA-N 1 2 224.329 1.493 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@@H]2CO)sc1C ZINC000880485477 591059244 /nfs/dbraw/zinc/05/92/44/591059244.db2.gz CYUHULUKQITZKD-SNVBAGLBSA-N 1 2 224.329 1.493 20 0 BDADLO Cc1ccccc1NC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880486884 591061028 /nfs/dbraw/zinc/06/10/28/591061028.db2.gz VUNOYMFQGGPCAZ-GFCCVEGCSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1ccccc1NC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880486884 591061033 /nfs/dbraw/zinc/06/10/33/591061033.db2.gz VUNOYMFQGGPCAZ-GFCCVEGCSA-N 1 2 246.310 1.166 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1CC=C(Cl)Cl ZINC000880494894 591073443 /nfs/dbraw/zinc/07/34/43/591073443.db2.gz VRJPMNFMMKWKAH-SSDOTTSWSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@H]1C=CC[N@H+]1CC=C(Cl)Cl ZINC000880494894 591073447 /nfs/dbraw/zinc/07/34/47/591073447.db2.gz VRJPMNFMMKWKAH-SSDOTTSWSA-N 1 2 208.088 1.538 20 0 BDADLO Cc1coc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000880655928 591120141 /nfs/dbraw/zinc/12/01/41/591120141.db2.gz AITQVICGOFPENH-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1coc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000880655928 591120144 /nfs/dbraw/zinc/12/01/44/591120144.db2.gz AITQVICGOFPENH-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO CCc1ccc(NC(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000881205535 591172057 /nfs/dbraw/zinc/17/20/57/591172057.db2.gz PAHSLDKXFXPQRY-UHFFFAOYSA-N 1 2 245.286 1.689 20 0 BDADLO CC[C@H](O)c1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000881287656 591181265 /nfs/dbraw/zinc/18/12/65/591181265.db2.gz TVRUQOAVHRAICK-LBPRGKRZSA-N 1 2 248.286 1.173 20 0 BDADLO C=C/C=C\CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000881566397 591240757 /nfs/dbraw/zinc/24/07/57/591240757.db2.gz ADJWOTGNSUNAIS-ARJAWSKDSA-N 1 2 219.288 1.591 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000881566381 591240890 /nfs/dbraw/zinc/24/08/90/591240890.db2.gz ZKYNEGBRHCMKMU-PCAWENJQSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000881567287 591241938 /nfs/dbraw/zinc/24/19/38/591241938.db2.gz HWEGFIPHLFSCNR-ARJAWSKDSA-N 1 2 219.288 1.591 20 0 BDADLO C=C/C=C\CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000881567287 591241940 /nfs/dbraw/zinc/24/19/40/591241940.db2.gz HWEGFIPHLFSCNR-ARJAWSKDSA-N 1 2 219.288 1.591 20 0 BDADLO CCSCC[N@@H+](C)CCS(=O)(=O)CC ZINC000129129830 591260066 /nfs/dbraw/zinc/26/00/66/591260066.db2.gz LKMDIZYIOCTGKK-UHFFFAOYSA-N 1 2 239.406 1.106 20 0 BDADLO CCSCC[N@H+](C)CCS(=O)(=O)CC ZINC000129129830 591260063 /nfs/dbraw/zinc/26/00/63/591260063.db2.gz LKMDIZYIOCTGKK-UHFFFAOYSA-N 1 2 239.406 1.106 20 0 BDADLO Cc1oncc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000129272501 591274010 /nfs/dbraw/zinc/27/40/10/591274010.db2.gz HAXAZGMOROVQGK-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO Cc1oncc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000129272501 591274012 /nfs/dbraw/zinc/27/40/12/591274012.db2.gz HAXAZGMOROVQGK-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO COC(=O)CCCCNc1nc[nH+]c(C)c1C ZINC000881851533 591274171 /nfs/dbraw/zinc/27/41/71/591274171.db2.gz VXDPIRLUKPRRIH-UHFFFAOYSA-N 1 2 237.303 1.849 20 0 BDADLO Cc1[nH+]cnc(NCc2nncn2C2CC2)c1C ZINC000881963355 591283981 /nfs/dbraw/zinc/28/39/81/591283981.db2.gz AJIZOFYSMAVINY-UHFFFAOYSA-N 1 2 244.302 1.632 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@H]2CCCOC2)c1C ZINC000881958510 591284205 /nfs/dbraw/zinc/28/42/05/591284205.db2.gz NZYLMPOMXYGJGP-GFCCVEGCSA-N 1 2 235.331 1.956 20 0 BDADLO CO[C@@H](CNc1cc[nH+]cc1F)C(F)(F)F ZINC000881981315 591285448 /nfs/dbraw/zinc/28/54/48/591285448.db2.gz JLMCWUQQGIPHHC-QMMMGPOBSA-N 1 2 238.184 1.632 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nnc(C(C)(C)C)o1 ZINC000881989028 591286163 /nfs/dbraw/zinc/28/61/63/591286163.db2.gz VINZEZBREGCNAM-UHFFFAOYSA-N 1 2 235.291 1.727 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@@H](CC(N)=O)C2)c1C ZINC000882045616 591291252 /nfs/dbraw/zinc/29/12/52/591291252.db2.gz GMJJZEMVGXREBW-NSHDSACASA-N 1 2 248.330 1.185 20 0 BDADLO Cc1ncnc(N2CC(n3cc[nH+]c3)C2)c1C ZINC000882084108 591295404 /nfs/dbraw/zinc/29/54/04/591295404.db2.gz JVEXQVAKFPEBOV-UHFFFAOYSA-N 1 2 229.287 1.351 20 0 BDADLO Cc1nnc([C@@H](C)Nc2nc[nH+]c(C)c2C)o1 ZINC000882086910 591295453 /nfs/dbraw/zinc/29/54/53/591295453.db2.gz IOBJTRMUOSWUAL-MRVPVSSYSA-N 1 2 233.275 1.958 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ncc(C=O)cn1 ZINC000882108730 591299404 /nfs/dbraw/zinc/29/94/04/591299404.db2.gz MCZKYKLFFVULTN-UHFFFAOYSA-N 1 2 245.286 1.012 20 0 BDADLO CCCNc1cc(N2CCOC[C@@H]2C)nc[nH+]1 ZINC000129446962 591301045 /nfs/dbraw/zinc/30/10/45/591301045.db2.gz FWPXMCZMNRXYEQ-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N2CCOC[C@@H]2C)[nH+]cn1 ZINC000129446962 591301047 /nfs/dbraw/zinc/30/10/47/591301047.db2.gz FWPXMCZMNRXYEQ-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CNC(=O)CCCN(C)c1nc[nH+]c(C)c1C ZINC000882130454 591302370 /nfs/dbraw/zinc/30/23/70/591302370.db2.gz ZQFSJHISQCNINT-UHFFFAOYSA-N 1 2 236.319 1.056 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1nc[nH+]c(C)c1C ZINC000882145185 591305789 /nfs/dbraw/zinc/30/57/89/591305789.db2.gz KYFYIWRBZBTLQW-GHMZBOCLSA-N 1 2 248.330 1.420 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H]([C@@H](C)O)C2)c1C ZINC000882168288 591310443 /nfs/dbraw/zinc/31/04/43/591310443.db2.gz FIJFRFAWUXGDDO-MNOVXSKESA-N 1 2 221.304 1.301 20 0 BDADLO Cc1[nH+]cnc(NCCc2ccnn2C)c1C ZINC000882190937 591314332 /nfs/dbraw/zinc/31/43/32/591314332.db2.gz RQWWBPCWPHNGEY-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)c2ncn(C)n2)c1C ZINC000882230139 591318447 /nfs/dbraw/zinc/31/84/47/591318447.db2.gz NWUIWVRGPDMVAJ-VIFPVBQESA-N 1 2 232.291 1.395 20 0 BDADLO COC(=O)[C@@H]1CCN(c2nc[nH+]c(C)c2C)[C@@H]1C ZINC000882240926 591319840 /nfs/dbraw/zinc/31/98/40/591319840.db2.gz LRRWUSBOOQCUFV-GHMZBOCLSA-N 1 2 249.314 1.481 20 0 BDADLO Cc1[nH+]cnc(NCc2cn(C(C)C)nn2)c1C ZINC000882390911 591341546 /nfs/dbraw/zinc/34/15/46/591341546.db2.gz OVSQMBWSLSPPRI-UHFFFAOYSA-N 1 2 246.318 1.878 20 0 BDADLO CC[C@H](CNc1nc[nH+]c(C)c1C)OC ZINC000882385127 591341811 /nfs/dbraw/zinc/34/18/11/591341811.db2.gz CNJWARNLDFMRMZ-SNVBAGLBSA-N 1 2 209.293 1.930 20 0 BDADLO CO[C@@H](CNc1nc[nH+]c(C)c1C)C1CC1 ZINC000882402386 591343087 /nfs/dbraw/zinc/34/30/87/591343087.db2.gz DUWCJNAYHTTYDX-NSHDSACASA-N 1 2 221.304 1.930 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CC[C@H](C(N)=O)C2)c1C ZINC000882433470 591347344 /nfs/dbraw/zinc/34/73/44/591347344.db2.gz JDEGGTHAHYZZHY-VHSXEESVSA-N 1 2 234.303 1.159 20 0 BDADLO Cc1[nH+]cnc(NCCOC(=O)N(C)C)c1C ZINC000882616586 591400206 /nfs/dbraw/zinc/40/02/06/591400206.db2.gz GYXCNFBJRSLKQF-UHFFFAOYSA-N 1 2 238.291 1.204 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](CO)CC2CC2)c1C ZINC000882621944 591401907 /nfs/dbraw/zinc/40/19/07/591401907.db2.gz GDQRPXKORZWOHZ-GFCCVEGCSA-N 1 2 235.331 1.914 20 0 BDADLO Cc1[nH+]cnc(N(C)CC2(C)COC2)c1C ZINC000882651404 591407275 /nfs/dbraw/zinc/40/72/75/591407275.db2.gz DPNHKMGXVDNSOS-UHFFFAOYSA-N 1 2 221.304 1.566 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1cc(CO)cc[nH+]1 ZINC000882707936 591415940 /nfs/dbraw/zinc/41/59/40/591415940.db2.gz INVSGFWNXLBGLD-ONGXEEELSA-N 1 2 224.304 1.535 20 0 BDADLO CC(=O)C1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000882714264 591418477 /nfs/dbraw/zinc/41/84/77/591418477.db2.gz RDUYRWVDGAPDQA-UHFFFAOYSA-N 1 2 233.315 1.899 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2C[C@H](O)C2)c1C ZINC000882716334 591419421 /nfs/dbraw/zinc/41/94/21/591419421.db2.gz LFDMWOFQDQPKHR-MGCOHNPYSA-N 1 2 207.277 1.276 20 0 BDADLO C[C@H](O)CSc1cc(-n2cc[nH+]c2)ncn1 ZINC000882738375 591424985 /nfs/dbraw/zinc/42/49/85/591424985.db2.gz RUHDHDHMAMZUQV-QMMMGPOBSA-N 1 2 236.300 1.135 20 0 BDADLO C=C/C=C\CCNc1nc[nH+]c(N)c1OC ZINC000882795563 591439846 /nfs/dbraw/zinc/43/98/46/591439846.db2.gz PHZNLERMDJGZCY-PLNGDYQASA-N 1 2 220.276 1.612 20 0 BDADLO C=C/C=C\CCNc1[nH+]cnc(N)c1OC ZINC000882795563 591439847 /nfs/dbraw/zinc/43/98/47/591439847.db2.gz PHZNLERMDJGZCY-PLNGDYQASA-N 1 2 220.276 1.612 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@H](CO)C2)[nH+]c1 ZINC000213229033 591455284 /nfs/dbraw/zinc/45/52/84/591455284.db2.gz QTAVZVIUEUYUJO-MNOVXSKESA-N 1 2 236.315 1.344 20 0 BDADLO CC(C)[C@@H](O)CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000882990297 591498286 /nfs/dbraw/zinc/49/82/86/591498286.db2.gz FWIASPIVASXKCD-UWVGGRQHSA-N 1 2 230.308 1.071 20 0 BDADLO C[C@H]1CCC[C@H](CO[NH+]=C(N)CO)C1 ZINC000883011857 591510521 /nfs/dbraw/zinc/51/05/21/591510521.db2.gz LIABPTUWRQZKSQ-IUCAKERBSA-N 1 2 200.282 1.303 20 0 BDADLO Cc1ccc(F)c(CO[NH+]=C(N)CO)c1 ZINC000883012370 591512301 /nfs/dbraw/zinc/51/23/01/591512301.db2.gz CZCHZLDNDOGBMQ-UHFFFAOYSA-N 1 2 212.224 1.125 20 0 BDADLO O[C@@H]1CN(c2cccc[nH+]2)CC2(CCOCC2)C1 ZINC000883015279 591514829 /nfs/dbraw/zinc/51/48/29/591514829.db2.gz OBCQVIKWEBBUCP-LBPRGKRZSA-N 1 2 248.326 1.449 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000130844480 591529379 /nfs/dbraw/zinc/52/93/79/591529379.db2.gz BPNOBQBKWYVBAT-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000130844480 591529383 /nfs/dbraw/zinc/52/93/83/591529383.db2.gz BPNOBQBKWYVBAT-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)n1 ZINC000883078819 591536181 /nfs/dbraw/zinc/53/61/81/591536181.db2.gz DBSTXTMKOUWXCH-UHFFFAOYSA-N 1 2 242.326 1.594 20 0 BDADLO COc1nn(C)cc1NCc1[nH]cc(C(C)C)[nH+]1 ZINC000883101867 591540730 /nfs/dbraw/zinc/54/07/30/591540730.db2.gz XYTVYNXODKCYPB-UHFFFAOYSA-N 1 2 249.318 1.887 20 0 BDADLO Cc1cc(N[C@@H](C)CS(C)(=O)=O)c[nH+]c1C ZINC000883342256 591622194 /nfs/dbraw/zinc/62/21/94/591622194.db2.gz QNNAQGXNDCYOCY-VIFPVBQESA-N 1 2 242.344 1.543 20 0 BDADLO Cn1cc(Cl)c(NCc2[nH+]ccn2C)n1 ZINC000883372501 591634153 /nfs/dbraw/zinc/63/41/53/591634153.db2.gz CHGJMMVHORNMDT-UHFFFAOYSA-N 1 2 225.683 1.419 20 0 BDADLO CCCNc1cc(NC[C@@H](C)COC)nc[nH+]1 ZINC000132291271 591697778 /nfs/dbraw/zinc/69/77/78/591697778.db2.gz HDNPNNRNWSMSCJ-SNVBAGLBSA-N 1 2 238.335 1.993 20 0 BDADLO CCCNc1cc(NC[C@@H](C)COC)[nH+]cn1 ZINC000132291271 591697781 /nfs/dbraw/zinc/69/77/81/591697781.db2.gz HDNPNNRNWSMSCJ-SNVBAGLBSA-N 1 2 238.335 1.993 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000883844235 591754158 /nfs/dbraw/zinc/75/41/58/591754158.db2.gz ATXNROKDCGREAL-MNOVXSKESA-N 1 2 246.314 1.073 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)CC(C)(C)C)CCO1 ZINC000800095836 591822526 /nfs/dbraw/zinc/82/25/26/591822526.db2.gz PHFQQMRPKQERAM-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)CC(C)(C)C)CCO1 ZINC000800095836 591822529 /nfs/dbraw/zinc/82/25/29/591822529.db2.gz PHFQQMRPKQERAM-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800104729 591823913 /nfs/dbraw/zinc/82/39/13/591823913.db2.gz FCLKPIBGWUCCDJ-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800104729 591823915 /nfs/dbraw/zinc/82/39/15/591823915.db2.gz FCLKPIBGWUCCDJ-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO CCC[C@H](C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800139362 591826999 /nfs/dbraw/zinc/82/69/99/591826999.db2.gz YSKGLSNNRVZZTR-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@H](C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800139362 591827002 /nfs/dbraw/zinc/82/70/02/591827002.db2.gz YSKGLSNNRVZZTR-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CCC/C=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800138865 591827337 /nfs/dbraw/zinc/82/73/37/591827337.db2.gz YRUDAAAIIRPPCL-FJOGCWAESA-N 1 2 241.331 1.607 20 0 BDADLO CCC/C=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800138865 591827338 /nfs/dbraw/zinc/82/73/38/591827338.db2.gz YRUDAAAIIRPPCL-FJOGCWAESA-N 1 2 241.331 1.607 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)C(F)F ZINC000800171291 591831248 /nfs/dbraw/zinc/83/12/48/591831248.db2.gz DERZNZZFYWLHEC-QMMMGPOBSA-N 1 2 249.257 1.238 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)C(F)F ZINC000800171291 591831246 /nfs/dbraw/zinc/83/12/46/591831246.db2.gz DERZNZZFYWLHEC-QMMMGPOBSA-N 1 2 249.257 1.238 20 0 BDADLO CCC1(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000800179420 591832489 /nfs/dbraw/zinc/83/24/89/591832489.db2.gz NKHVBNOROLQWGF-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CCC1(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000800179420 591832493 /nfs/dbraw/zinc/83/24/93/591832493.db2.gz NKHVBNOROLQWGF-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CS/C=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800185533 591835144 /nfs/dbraw/zinc/83/51/44/591835144.db2.gz IKWJAOOAAZNIAP-WPKZPIIRSA-N 1 2 245.344 1.127 20 0 BDADLO CS/C=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800185533 591835150 /nfs/dbraw/zinc/83/51/50/591835150.db2.gz IKWJAOOAAZNIAP-WPKZPIIRSA-N 1 2 245.344 1.127 20 0 BDADLO CS/C=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800185530 591835350 /nfs/dbraw/zinc/83/53/50/591835350.db2.gz IKWJAOOAAZNIAP-GJQXAKHRSA-N 1 2 245.344 1.127 20 0 BDADLO CS/C=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800185530 591835354 /nfs/dbraw/zinc/83/53/54/591835354.db2.gz IKWJAOOAAZNIAP-GJQXAKHRSA-N 1 2 245.344 1.127 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000134341316 591920178 /nfs/dbraw/zinc/92/01/78/591920178.db2.gz BSRHLYUGVQASGH-JTQLQIEISA-N 1 2 240.328 1.379 20 0 BDADLO CC[S@](=O)CC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134561541 591938626 /nfs/dbraw/zinc/93/86/26/591938626.db2.gz SZHHLWXAQMCRIY-VXJOIVPMSA-N 1 2 229.349 1.137 20 0 BDADLO Cc1cnc(NCC2([NH+]3CCOCC3)CC2)o1 ZINC000884486617 591954472 /nfs/dbraw/zinc/95/44/72/591954472.db2.gz BFQJVCREUDPVLV-UHFFFAOYSA-N 1 2 237.303 1.260 20 0 BDADLO CCc1nc(NCCCCCO)cc[nH+]1 ZINC000884491273 591955275 /nfs/dbraw/zinc/95/52/75/591955275.db2.gz QQJCIWGPDWZMAR-UHFFFAOYSA-N 1 2 209.293 1.614 20 0 BDADLO CCc1nc(N[C@@H](C)c2nnc(C)[nH]2)cc[nH+]1 ZINC000884507959 591959997 /nfs/dbraw/zinc/95/99/97/591959997.db2.gz QKJDYCDSOORMPW-ZETCQYMHSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1nc(N2CC[C@@](C)(COC)C2)cc[nH+]1 ZINC000884518799 591964068 /nfs/dbraw/zinc/96/40/68/591964068.db2.gz ZYXIEBVLMPYNIC-CYBMUJFWSA-N 1 2 235.331 1.902 20 0 BDADLO CCc1nc(NC[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000884527132 591967061 /nfs/dbraw/zinc/96/70/61/591967061.db2.gz JZVMKQDTNJIXCV-ZJUUUORDSA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N[C@H](CO)c2cccnc2)cc[nH+]1 ZINC000884533788 591969894 /nfs/dbraw/zinc/96/98/94/591969894.db2.gz QWEZQDKUNDKBLQ-LLVKDONJSA-N 1 2 244.298 1.580 20 0 BDADLO CCc1nc(NCc2nccc(C)n2)cc[nH+]1 ZINC000884533272 591970001 /nfs/dbraw/zinc/97/00/01/591970001.db2.gz DBAJLCRWZVDDHO-UHFFFAOYSA-N 1 2 229.287 1.750 20 0 BDADLO CCc1nc(N2CC(C)(C(=O)OC)C2)cc[nH+]1 ZINC000884536837 591970373 /nfs/dbraw/zinc/97/03/73/591970373.db2.gz KGRAAXNPRXLPEC-UHFFFAOYSA-N 1 2 235.287 1.038 20 0 BDADLO CCc1nc(N2CCC([C@@H](C)CO)CC2)cc[nH+]1 ZINC000884545215 591974467 /nfs/dbraw/zinc/97/44/67/591974467.db2.gz BAOBSUPADFAFJZ-NSHDSACASA-N 1 2 249.358 1.884 20 0 BDADLO CCc1nc(NC[C@@H](CO)CC2CC2)cc[nH+]1 ZINC000884558436 591979331 /nfs/dbraw/zinc/97/93/31/591979331.db2.gz SVLJYJYTCHWJEH-NSHDSACASA-N 1 2 235.331 1.860 20 0 BDADLO CCc1nc(N[C@H]2C[C@H](C(=O)OC)C2)cc[nH+]1 ZINC000884560602 591980102 /nfs/dbraw/zinc/98/01/02/591980102.db2.gz CFKWBNPVGHFWJS-KYZUINATSA-N 1 2 235.287 1.403 20 0 BDADLO CCc1nc(N[C@@H]2C[C@]2(C)OC)cc[nH+]1 ZINC000884560140 591980163 /nfs/dbraw/zinc/98/01/63/591980163.db2.gz OHEBRJMLOVHFDS-KCJUWKMLSA-N 1 2 207.277 1.628 20 0 BDADLO O[C@@H]1CC[C@H](Nc2cccc[nH+]2)CC[C@@H]1O ZINC000884624001 591996366 /nfs/dbraw/zinc/99/63/66/591996366.db2.gz VIQPDXJGVILWOD-JGPRNRPPSA-N 1 2 222.288 1.158 20 0 BDADLO O[C@@H]1CC[C@@H](Nc2cccc[nH+]2)CC[C@@H]1O ZINC000884624002 591996589 /nfs/dbraw/zinc/99/65/89/591996589.db2.gz VIQPDXJGVILWOD-RTCCRHLQSA-N 1 2 222.288 1.158 20 0 BDADLO CCc1nc(N(C)[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000884629334 591996846 /nfs/dbraw/zinc/99/68/46/591996846.db2.gz JFANXGWGMYKGBU-NXEZZACHSA-N 1 2 221.304 1.389 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CC3(CCC3)CO2)c1 ZINC000884660251 592006304 /nfs/dbraw/zinc/00/63/04/592006304.db2.gz OEQSUHIFIWGWBS-GFCCVEGCSA-N 1 2 248.326 1.945 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000135388975 592010963 /nfs/dbraw/zinc/01/09/63/592010963.db2.gz PVWFONDOWKAATL-UVFZJDOJSA-N 1 2 205.261 1.719 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890236017 592015417 /nfs/dbraw/zinc/01/54/17/592015417.db2.gz INOBRHASAQJXSD-UWVGGRQHSA-N 1 2 219.288 1.353 20 0 BDADLO CCc1cc(N[C@H](C(N)=O)[C@@H](C)CC)nc[nH+]1 ZINC000884830864 592024187 /nfs/dbraw/zinc/02/41/87/592024187.db2.gz HFLMKGGYBUWTDJ-KWQFWETISA-N 1 2 236.319 1.351 20 0 BDADLO Cc1cc(N[C@H](CCO)C(F)(F)F)nc[nH+]1 ZINC000884834027 592024463 /nfs/dbraw/zinc/02/44/63/592024463.db2.gz RAMPCZJXISGERH-SSDOTTSWSA-N 1 2 235.209 1.510 20 0 BDADLO COCCOC(=O)NCCCCn1cc[nH+]c1 ZINC000885084513 592049380 /nfs/dbraw/zinc/04/93/80/592049380.db2.gz BWIRGHZLEDMZQS-UHFFFAOYSA-N 1 2 241.291 1.036 20 0 BDADLO COCCOC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000885219738 592058577 /nfs/dbraw/zinc/05/85/77/592058577.db2.gz BLQGOCHUKWVKOT-IUCAKERBSA-N 1 2 239.275 1.262 20 0 BDADLO Cc1[nH]nc(CNC[C@H](C)[N@H+](C)C2CC2)c1C ZINC000885971035 592119326 /nfs/dbraw/zinc/11/93/26/592119326.db2.gz OFLJWEHYWSAMLE-VIFPVBQESA-N 1 2 236.363 1.599 20 0 BDADLO Cc1[nH]nc(CNC[C@H](C)[N@@H+](C)C2CC2)c1C ZINC000885971035 592119327 /nfs/dbraw/zinc/11/93/27/592119327.db2.gz OFLJWEHYWSAMLE-VIFPVBQESA-N 1 2 236.363 1.599 20 0 BDADLO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1nnc[nH]1 ZINC000886035289 592137799 /nfs/dbraw/zinc/13/77/99/592137799.db2.gz LDUJFQMQINMAPQ-MNOVXSKESA-N 1 2 220.320 1.673 20 0 BDADLO C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1nnc[nH]1 ZINC000886035289 592137801 /nfs/dbraw/zinc/13/78/01/592137801.db2.gz LDUJFQMQINMAPQ-MNOVXSKESA-N 1 2 220.320 1.673 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2[nH]nc(C)c2C)[nH]1 ZINC000886052807 592140786 /nfs/dbraw/zinc/14/07/86/592140786.db2.gz YKNVDVZJOUYULF-VIFPVBQESA-N 1 2 248.334 1.558 20 0 BDADLO Cc1coc(C[NH2+][C@H](C)c2nnnn2C2CC2)c1 ZINC000886090132 592146671 /nfs/dbraw/zinc/14/66/71/592146671.db2.gz QEILOFJMSIAWQA-SECBINFHSA-N 1 2 247.302 1.760 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000886093579 592147607 /nfs/dbraw/zinc/14/76/07/592147607.db2.gz CWYXGPMTUOJVLC-UHFFFAOYSA-N 1 2 227.258 1.949 20 0 BDADLO Cc1coc(C[NH2+][C@H](CO)c2ccnn2C)c1 ZINC000886142893 592162373 /nfs/dbraw/zinc/16/23/73/592162373.db2.gz NKIGRJXFYOHUJD-LLVKDONJSA-N 1 2 235.287 1.145 20 0 BDADLO Cc1coc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000886158030 592166030 /nfs/dbraw/zinc/16/60/30/592166030.db2.gz QCBCZLKARHYUPP-GXSJLCMTSA-N 1 2 232.287 1.975 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886181485 592170691 /nfs/dbraw/zinc/17/06/91/592170691.db2.gz MTWJNCLNSABCMF-USWWRNFRSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886181485 592170694 /nfs/dbraw/zinc/17/06/94/592170694.db2.gz MTWJNCLNSABCMF-USWWRNFRSA-N 1 2 241.331 1.437 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886274435 592194483 /nfs/dbraw/zinc/19/44/83/592194483.db2.gz SYTPAHLABBJKSH-CHWSQXEVSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886274435 592194485 /nfs/dbraw/zinc/19/44/85/592194485.db2.gz SYTPAHLABBJKSH-CHWSQXEVSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886274435 592194487 /nfs/dbraw/zinc/19/44/87/592194487.db2.gz SYTPAHLABBJKSH-CHWSQXEVSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886274435 592194488 /nfs/dbraw/zinc/19/44/88/592194488.db2.gz SYTPAHLABBJKSH-CHWSQXEVSA-N 1 2 235.331 1.799 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886335838 592211969 /nfs/dbraw/zinc/21/19/69/592211969.db2.gz IPASBQCWUDNQNF-HLTSFMKQSA-N 1 2 223.276 1.229 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886335838 592211970 /nfs/dbraw/zinc/21/19/70/592211970.db2.gz IPASBQCWUDNQNF-HLTSFMKQSA-N 1 2 223.276 1.229 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ncco1 ZINC000886538249 592252469 /nfs/dbraw/zinc/25/24/69/592252469.db2.gz FESJEXFQLOOXNO-PHDIDXHHSA-N 1 2 224.182 1.248 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCCn2nncc2C1 ZINC000886462819 592228056 /nfs/dbraw/zinc/22/80/56/592228056.db2.gz FOAJBLTUAMVATH-JTQLQIEISA-N 1 2 244.302 1.035 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCCn2nncc2C1 ZINC000886462819 592228057 /nfs/dbraw/zinc/22/80/57/592228057.db2.gz FOAJBLTUAMVATH-JTQLQIEISA-N 1 2 244.302 1.035 20 0 BDADLO C/C=C(/C)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886619564 592278008 /nfs/dbraw/zinc/27/80/08/592278008.db2.gz IUOSWYQFOQPYGY-WMZJFQQLSA-N 1 2 233.315 1.754 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676549 592299676 /nfs/dbraw/zinc/29/96/76/592299676.db2.gz IYQGVCCWLFNYMV-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676549 592299681 /nfs/dbraw/zinc/29/96/81/592299681.db2.gz IYQGVCCWLFNYMV-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO CC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886961778 592402079 /nfs/dbraw/zinc/40/20/79/592402079.db2.gz XLEDOCDRXCYXEH-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO CCOC(=O)[C@H](CCCC(C)C)[NH2+]C[C@H](C)O ZINC000886934502 592397517 /nfs/dbraw/zinc/39/75/17/592397517.db2.gz YMDSVVMPYBANDZ-RYUDHWBXSA-N 1 2 245.363 1.715 20 0 BDADLO CC[C@@H](NC(=O)c1ccc(F)nc1)c1[nH]cc[nH+]1 ZINC000139425555 592398586 /nfs/dbraw/zinc/39/85/86/592398586.db2.gz AZIOGTZDORBFQY-SECBINFHSA-N 1 2 248.261 1.825 20 0 BDADLO COC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCCF ZINC000886951188 592399764 /nfs/dbraw/zinc/39/97/64/592399764.db2.gz YFQWFPYPKIIDBM-NXEZZACHSA-N 1 2 233.283 1.046 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000887036141 592427833 /nfs/dbraw/zinc/42/78/33/592427833.db2.gz RMFYVZTTXWPQFS-MISXGVKJSA-N 1 2 245.326 1.504 20 0 BDADLO C=C/C=C/CC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887078778 592435210 /nfs/dbraw/zinc/43/52/10/592435210.db2.gz CRFDQVSXEJAMJI-ZWNMCFTASA-N 1 2 241.356 1.709 20 0 BDADLO C=C/C=C/CC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887078778 592435212 /nfs/dbraw/zinc/43/52/12/592435212.db2.gz CRFDQVSXEJAMJI-ZWNMCFTASA-N 1 2 241.356 1.709 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CCCCF ZINC000887077761 592436253 /nfs/dbraw/zinc/43/62/53/592436253.db2.gz UBUMOWMLRFGHRI-SECBINFHSA-N 1 2 235.324 1.327 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CCCCF ZINC000887077761 592436256 /nfs/dbraw/zinc/43/62/56/592436256.db2.gz UBUMOWMLRFGHRI-SECBINFHSA-N 1 2 235.324 1.327 20 0 BDADLO Cc1[nH]c(C(=O)NC2([C@@H]3CCCCO3)CC2)c[nH+]1 ZINC000887094173 592439992 /nfs/dbraw/zinc/43/99/92/592439992.db2.gz FJVISCZWMINEAE-NSHDSACASA-N 1 2 249.314 1.550 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+](C)CCCF ZINC000887142408 592455513 /nfs/dbraw/zinc/45/55/13/592455513.db2.gz JGEFGFOOKGYJNH-ZCFIWIBFSA-N 1 2 247.705 1.460 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+](C)CCCF ZINC000887142408 592455516 /nfs/dbraw/zinc/45/55/16/592455516.db2.gz JGEFGFOOKGYJNH-ZCFIWIBFSA-N 1 2 247.705 1.460 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCCF ZINC000887141404 592456418 /nfs/dbraw/zinc/45/64/18/592456418.db2.gz RPEHISYUGTYPAE-MRVPVSSYSA-N 1 2 227.287 1.360 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCCF ZINC000887141404 592456420 /nfs/dbraw/zinc/45/64/20/592456420.db2.gz RPEHISYUGTYPAE-MRVPVSSYSA-N 1 2 227.287 1.360 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)CCCF ZINC000887142596 592456644 /nfs/dbraw/zinc/45/66/44/592456644.db2.gz ROTZBEQZYMFXOU-SSDOTTSWSA-N 1 2 203.286 1.891 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)CCCF ZINC000887142596 592456641 /nfs/dbraw/zinc/45/66/41/592456641.db2.gz ROTZBEQZYMFXOU-SSDOTTSWSA-N 1 2 203.286 1.891 20 0 BDADLO C[N@H+](CCCF)Cc1nnc2n1CCCC2 ZINC000887141143 592457610 /nfs/dbraw/zinc/45/76/10/592457610.db2.gz HLHYXZOGBDCTAC-UHFFFAOYSA-N 1 2 226.299 1.406 20 0 BDADLO C[N@@H+](CCCF)Cc1nnc2n1CCCC2 ZINC000887141143 592457612 /nfs/dbraw/zinc/45/76/12/592457612.db2.gz HLHYXZOGBDCTAC-UHFFFAOYSA-N 1 2 226.299 1.406 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CCCF)[nH]1 ZINC000887142734 592459211 /nfs/dbraw/zinc/45/92/11/592459211.db2.gz XYFQKJGBJFTCQG-QMMMGPOBSA-N 1 2 214.288 1.720 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CCCF)[nH]1 ZINC000887142734 592459214 /nfs/dbraw/zinc/45/92/14/592459214.db2.gz XYFQKJGBJFTCQG-QMMMGPOBSA-N 1 2 214.288 1.720 20 0 BDADLO CCc1cnc(NC(=O)CCc2[nH]cc[nH+]2)o1 ZINC000887237218 592470443 /nfs/dbraw/zinc/47/04/43/592470443.db2.gz LFIPGLVXJBMCBZ-UHFFFAOYSA-N 1 2 234.259 1.531 20 0 BDADLO Cc1ccc(NC(=O)N[C@]23C[C@H]2COC3)c(C)[nH+]1 ZINC000887879011 592556915 /nfs/dbraw/zinc/55/69/15/592556915.db2.gz YEOSUEXZOCPAIK-GWCFXTLKSA-N 1 2 247.298 1.609 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889603628 592626803 /nfs/dbraw/zinc/62/68/03/592626803.db2.gz RGOVORWVLSVDGT-RAIGVLPGSA-N 1 2 247.342 1.658 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)[nH+]1 ZINC000889613387 592629603 /nfs/dbraw/zinc/62/96/03/592629603.db2.gz ZCZHRNFTYWPEOK-ADEWGFFLSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889613301 592629711 /nfs/dbraw/zinc/62/97/11/592629711.db2.gz YKQSWOYLLPGCAD-RSLMWUCJSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889613301 592629712 /nfs/dbraw/zinc/62/97/12/592629712.db2.gz YKQSWOYLLPGCAD-RSLMWUCJSA-N 1 2 247.342 1.893 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccnn1C1CC1 ZINC000889685568 592644016 /nfs/dbraw/zinc/64/40/16/592644016.db2.gz CYBCTTKMQYCWLO-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO CCC[C@@H](CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890099741 592679053 /nfs/dbraw/zinc/67/90/53/592679053.db2.gz IJXRLCWLQHZWJH-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO C[C@H](CC(F)(F)F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890105177 592681619 /nfs/dbraw/zinc/68/16/19/592681619.db2.gz YBICFHHAJCTKGR-SSDOTTSWSA-N 1 2 249.236 1.625 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(F)CCCCC2)c1 ZINC000890106548 592682141 /nfs/dbraw/zinc/68/21/41/592682141.db2.gz CHMQXWVYVGXJPG-UHFFFAOYSA-N 1 2 239.294 1.709 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2conc2C2CC2)c1 ZINC000890107987 592682935 /nfs/dbraw/zinc/68/29/35/592682935.db2.gz TUZOQLGRSHROBS-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO Cc1ncccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890113376 592683884 /nfs/dbraw/zinc/68/38/84/592683884.db2.gz AYGXIDXRTYQMFW-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890113964 592684661 /nfs/dbraw/zinc/68/46/61/592684661.db2.gz RRNCSHMSPYDXBI-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109745 592684689 /nfs/dbraw/zinc/68/46/89/592684689.db2.gz RUNRPZSRSBGHEV-NXEZZACHSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cscc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890110152 592684699 /nfs/dbraw/zinc/68/46/99/592684699.db2.gz LPHYNNVTJNHXQJ-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO CCc1ccsc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890114623 592685975 /nfs/dbraw/zinc/68/59/75/592685975.db2.gz SBBFBDGRZIXCRD-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO C/C=C/C=C\C(=O)NCc1cn(C)c[nH+]1 ZINC000890119640 592686027 /nfs/dbraw/zinc/68/60/27/592686027.db2.gz MGCPIKQGWHAYOX-ICWBMWKASA-N 1 2 205.261 1.169 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000890120397 592686511 /nfs/dbraw/zinc/68/65/11/592686511.db2.gz ZWWUQGUGOWSVNC-WCFLWFBJSA-N 1 2 247.342 1.863 20 0 BDADLO CC[NH+](CC)CC[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000037562083 598098869 /nfs/dbraw/zinc/09/88/69/598098869.db2.gz UYVYQKNLTMBGKF-UHFFFAOYSA-N 1 2 242.363 1.561 20 0 BDADLO C/C(=C/C[NH+]1CCC([NH+](C)C)CC1)C(=O)[O-] ZINC000084002461 601219406 /nfs/dbraw/zinc/21/94/06/601219406.db2.gz NPASSOIIPVUQLJ-WMZJFQQLSA-N 1 2 226.320 1.043 20 0 BDADLO CC(C)(CC(=O)[O-])[NH2+]CC[NH+]1CCCCC1 ZINC000694004913 604442824 /nfs/dbraw/zinc/44/28/24/604442824.db2.gz QHPACOIDZOFGQU-UHFFFAOYSA-N 1 2 228.336 1.315 20 0 BDADLO CC[C@@]1(C)CN(c2cc(NC)[nH+]cn2)CCO1 ZINC000893394588 634391293 /nfs/dbraw/zinc/39/12/93/634391293.db2.gz JHALOVQDBDTTNE-LBPRGKRZSA-N 1 2 236.319 1.524 20 0 BDADLO CC[C@@]1(C)CN(c2cc(NC)nc[nH+]2)CCO1 ZINC000893394588 634391300 /nfs/dbraw/zinc/39/13/00/634391300.db2.gz JHALOVQDBDTTNE-LBPRGKRZSA-N 1 2 236.319 1.524 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CCCCC2)c1 ZINC000313464881 634462322 /nfs/dbraw/zinc/46/23/22/634462322.db2.gz WEMOKXBPDDCCNQ-UHFFFAOYSA-N 1 2 236.319 1.158 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001009788980 634572282 /nfs/dbraw/zinc/57/22/82/634572282.db2.gz VUZDKQCGKNBTPJ-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001009788980 634572289 /nfs/dbraw/zinc/57/22/89/634572289.db2.gz VUZDKQCGKNBTPJ-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001009815105 634589861 /nfs/dbraw/zinc/58/98/61/634589861.db2.gz MXPCQUNEAZBBMQ-HTQZYQBOSA-N 1 2 238.253 1.190 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001009815105 634589867 /nfs/dbraw/zinc/58/98/67/634589867.db2.gz MXPCQUNEAZBBMQ-HTQZYQBOSA-N 1 2 238.253 1.190 20 0 BDADLO Cc1cc(C)c(CNC(=O)CC2COC2)c[nH+]1 ZINC000909390889 634600157 /nfs/dbraw/zinc/60/01/57/634600157.db2.gz KRVXSIZQTYXVIN-UHFFFAOYSA-N 1 2 234.299 1.351 20 0 BDADLO CC(C)C[C@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090814857 631233833 /nfs/dbraw/zinc/23/38/33/631233833.db2.gz HGOCLPFVKTXLRB-WDEREUQCSA-N 1 2 245.363 1.713 20 0 BDADLO O=C(NNc1cc[nH+]cc1Cl)C1CC(=O)C1 ZINC000155770116 631367393 /nfs/dbraw/zinc/36/73/93/631367393.db2.gz ARQMZEUQVYVXFX-UHFFFAOYSA-N 1 2 239.662 1.157 20 0 BDADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933528432 631394433 /nfs/dbraw/zinc/39/44/33/631394433.db2.gz MWIYDWSWFFBYHT-CYBMUJFWSA-N 1 2 235.331 1.760 20 0 BDADLO CC(C)=CC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933528432 631394439 /nfs/dbraw/zinc/39/44/39/631394439.db2.gz MWIYDWSWFFBYHT-CYBMUJFWSA-N 1 2 235.331 1.760 20 0 BDADLO CC(C)NC(=O)c1cccc2[nH+]ccn21 ZINC000082298894 631402285 /nfs/dbraw/zinc/40/22/85/631402285.db2.gz YUNMMHUMSAIOCL-UHFFFAOYSA-N 1 2 203.245 1.473 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000891699655 631454932 /nfs/dbraw/zinc/45/49/32/631454932.db2.gz RYYUIRPJMAHVJZ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000891699655 631454935 /nfs/dbraw/zinc/45/49/35/631454935.db2.gz RYYUIRPJMAHVJZ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO CC[C@@](C)(O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933822836 631518911 /nfs/dbraw/zinc/51/89/11/631518911.db2.gz BYUGSAIPGRFBNG-CYBMUJFWSA-N 1 2 247.298 1.454 20 0 BDADLO CNc1cc(N[C@@H]2CCO[C@H]2C2CC2)nc[nH+]1 ZINC000234532299 631568384 /nfs/dbraw/zinc/56/83/84/631568384.db2.gz XYZIQTSJBOIDTP-SKDRFNHKSA-N 1 2 234.303 1.498 20 0 BDADLO CNc1cc(N[C@@H]2CCO[C@H]2C2CC2)[nH+]cn1 ZINC000234532299 631568390 /nfs/dbraw/zinc/56/83/90/631568390.db2.gz XYZIQTSJBOIDTP-SKDRFNHKSA-N 1 2 234.303 1.498 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cn1 ZINC000933964100 631574916 /nfs/dbraw/zinc/57/49/16/631574916.db2.gz KGMJAWYCGKHVHW-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cn1 ZINC000933964100 631574920 /nfs/dbraw/zinc/57/49/20/631574920.db2.gz KGMJAWYCGKHVHW-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000934026789 631604231 /nfs/dbraw/zinc/60/42/31/631604231.db2.gz OBEYKHUOMLCQSZ-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cccc(Cl)n1 ZINC000934026789 631604235 /nfs/dbraw/zinc/60/42/35/631604235.db2.gz OBEYKHUOMLCQSZ-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H](C)C2)nc(N)[nH+]1 ZINC000308903187 631722400 /nfs/dbraw/zinc/72/24/00/631722400.db2.gz UTNBOXWFXPEYLW-HTRCEHHLSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000308903187 631722405 /nfs/dbraw/zinc/72/24/05/631722405.db2.gz UTNBOXWFXPEYLW-HTRCEHHLSA-N 1 2 207.281 1.363 20 0 BDADLO CC(C)(C)c1nnc(C[NH+]2CCCC2)o1 ZINC000051559021 631804975 /nfs/dbraw/zinc/80/49/75/631804975.db2.gz CZLQOPCOIOLIHP-UHFFFAOYSA-N 1 2 209.293 1.963 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+][C@H]1CCOC1=O ZINC000309055715 631830016 /nfs/dbraw/zinc/83/00/16/631830016.db2.gz UHSSFOIMFJDAMF-KXUCPTDWSA-N 1 2 229.345 1.566 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](CCCO)C1CC1 ZINC000309058870 631832363 /nfs/dbraw/zinc/83/23/63/631832363.db2.gz JBTKOZQOEXYRIA-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](CCCO)C1CC1 ZINC000309058870 631832365 /nfs/dbraw/zinc/83/23/65/631832365.db2.gz JBTKOZQOEXYRIA-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@]2(C)C2CC2)c1 ZINC000934479383 631872767 /nfs/dbraw/zinc/87/27/67/631872767.db2.gz RCCBKRHPEOFEBD-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@]2(C)C2CC2)c1 ZINC000934479383 631872768 /nfs/dbraw/zinc/87/27/68/631872768.db2.gz RCCBKRHPEOFEBD-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1cc[nH]n1 ZINC000934479098 631873996 /nfs/dbraw/zinc/87/39/96/631873996.db2.gz PFRSYMPDZRSWJK-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO C[C@]1(C2CC2)COCC[N@H+]1Cc1cc[nH]n1 ZINC000934479098 631873997 /nfs/dbraw/zinc/87/39/97/631873997.db2.gz PFRSYMPDZRSWJK-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934580180 631950436 /nfs/dbraw/zinc/95/04/36/631950436.db2.gz ITEFLMZUVWHBDS-YUSALJHKSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934580180 631950437 /nfs/dbraw/zinc/95/04/37/631950437.db2.gz ITEFLMZUVWHBDS-YUSALJHKSA-N 1 2 224.279 1.547 20 0 BDADLO Cc1ncccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000309208465 631970145 /nfs/dbraw/zinc/97/01/45/631970145.db2.gz GOBPXJIUEAOWTJ-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc(Cl)cs2)nn1 ZINC000308861573 631974638 /nfs/dbraw/zinc/97/46/38/631974638.db2.gz BQYBNXUYURBVQA-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](CO)C2)o1 ZINC000051887455 631999949 /nfs/dbraw/zinc/99/99/49/631999949.db2.gz PCDJQOMMZSKJSZ-SECBINFHSA-N 1 2 239.319 1.181 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](CO)C2)o1 ZINC000051887455 631999954 /nfs/dbraw/zinc/99/99/54/631999954.db2.gz PCDJQOMMZSKJSZ-SECBINFHSA-N 1 2 239.319 1.181 20 0 BDADLO CCO[C@@H](C(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000927776831 635743872 /nfs/dbraw/zinc/74/38/72/635743872.db2.gz DPWROOODNLACFK-GFCCVEGCSA-N 1 2 249.314 1.095 20 0 BDADLO Cc1nc(NCc2cccc(F)n2)cc[nH+]1 ZINC000309702571 632653509 /nfs/dbraw/zinc/65/35/09/632653509.db2.gz NGJLKKGFIMOBGR-UHFFFAOYSA-N 1 2 218.235 1.931 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC000972744849 632654523 /nfs/dbraw/zinc/65/45/23/632654523.db2.gz YXYIDHWOQVUWEF-SECBINFHSA-N 1 2 248.317 1.531 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC000972744849 632654528 /nfs/dbraw/zinc/65/45/28/632654528.db2.gz YXYIDHWOQVUWEF-SECBINFHSA-N 1 2 248.317 1.531 20 0 BDADLO CNc1cc(N2CC[C@@H](O)C(C)(C)C2)nc[nH+]1 ZINC000310172445 632704848 /nfs/dbraw/zinc/70/48/48/632704848.db2.gz PSNUNUNXWSTNQD-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CC[C@@H](O)C(C)(C)C2)[nH+]cn1 ZINC000310172445 632704854 /nfs/dbraw/zinc/70/48/54/632704854.db2.gz PSNUNUNXWSTNQD-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000162244711 632784493 /nfs/dbraw/zinc/78/44/93/632784493.db2.gz FIYIGOQTTGPNLW-GHMZBOCLSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)/C=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000309253003 632844163 /nfs/dbraw/zinc/84/41/63/632844163.db2.gz FOWXKVRZEWYJIC-ARJAWSKDSA-N 1 2 220.272 1.919 20 0 BDADLO CC[C@H]([NH2+]Cc1cocn1)c1cnn(C)c1 ZINC000393779454 632996646 /nfs/dbraw/zinc/99/66/46/632996646.db2.gz IQKQWNCJPJXFQZ-NSHDSACASA-N 1 2 220.276 1.649 20 0 BDADLO Cc1ncoc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000894557705 635908075 /nfs/dbraw/zinc/90/80/75/635908075.db2.gz FTLXRPWAGHZJLR-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000894557705 635908078 /nfs/dbraw/zinc/90/80/78/635908078.db2.gz FTLXRPWAGHZJLR-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ncco1 ZINC000924594484 633153011 /nfs/dbraw/zinc/15/30/11/633153011.db2.gz HIRCQKGWVBSUNN-VIFPVBQESA-N 1 2 249.270 1.348 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCC[C@H]2O)[nH+]cn1 ZINC000892703450 633159895 /nfs/dbraw/zinc/15/98/95/633159895.db2.gz IBKCWNGWVVPFKG-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000892703450 633159901 /nfs/dbraw/zinc/15/99/01/633159901.db2.gz IBKCWNGWVVPFKG-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2[C@@H](C)CC[C@@H]2C)nc[nH+]1 ZINC000892899913 633241957 /nfs/dbraw/zinc/24/19/57/633241957.db2.gz NXXHTFAOUMDOCB-IUCAKERBSA-N 1 2 206.293 1.896 20 0 BDADLO CNc1cc(N2[C@@H](C)CC[C@@H]2C)[nH+]cn1 ZINC000892899913 633241962 /nfs/dbraw/zinc/24/19/62/633241962.db2.gz NXXHTFAOUMDOCB-IUCAKERBSA-N 1 2 206.293 1.896 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000895033512 636016724 /nfs/dbraw/zinc/01/67/24/636016724.db2.gz DLOLAWKDGPDQMO-MNOVXSKESA-N 1 2 237.347 1.878 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H](O)CC[C@H]2C)n1 ZINC000895033512 636016725 /nfs/dbraw/zinc/01/67/25/636016725.db2.gz DLOLAWKDGPDQMO-MNOVXSKESA-N 1 2 237.347 1.878 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](CF)C1 ZINC000881675556 636045464 /nfs/dbraw/zinc/04/54/64/636045464.db2.gz YMFKRFIOVOAPPZ-JTQLQIEISA-N 1 2 239.294 1.171 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000308831400 633821605 /nfs/dbraw/zinc/82/16/05/633821605.db2.gz GHGWTSJXIBSCIH-UWVGGRQHSA-N 1 2 231.361 1.527 20 0 BDADLO Nc1cc(COC(=O)CC2CC2)cc[nH+]1 ZINC000308834348 633822384 /nfs/dbraw/zinc/82/23/84/633822384.db2.gz KPDITVSGDNIEFI-UHFFFAOYSA-N 1 2 206.245 1.507 20 0 BDADLO COCC[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187075305 634095716 /nfs/dbraw/zinc/09/57/16/634095716.db2.gz PLJVPLRAPZUPEZ-HNNXBMFYSA-N 1 2 227.329 1.594 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC=CO1 ZINC000194036072 634301994 /nfs/dbraw/zinc/30/19/94/634301994.db2.gz HMDBULPLXKBUDE-NSHDSACASA-N 1 2 247.360 1.046 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC=CO1 ZINC000194036072 634301996 /nfs/dbraw/zinc/30/19/96/634301996.db2.gz HMDBULPLXKBUDE-NSHDSACASA-N 1 2 247.360 1.046 20 0 BDADLO C[NH+](C)[C@H](C(=O)OCCF)c1ccccc1 ZINC000194942891 634341860 /nfs/dbraw/zinc/34/18/60/634341860.db2.gz ZSZNUWAKBYFQJH-NSHDSACASA-N 1 2 225.263 1.802 20 0 BDADLO CNc1cc(N[C@H](CO)CC2CCC2)nc[nH+]1 ZINC000893620181 635274287 /nfs/dbraw/zinc/27/42/87/635274287.db2.gz HWOLURXCYJDOGA-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO CNc1cc(N[C@H](CO)CC2CCC2)[nH+]cn1 ZINC000893620181 635274298 /nfs/dbraw/zinc/27/42/98/635274298.db2.gz HWOLURXCYJDOGA-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094369928 635315924 /nfs/dbraw/zinc/31/59/24/635315924.db2.gz IAUZOSKSICJKLF-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO Cc1ccncc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895118475 636065291 /nfs/dbraw/zinc/06/52/91/636065291.db2.gz JFFVJRWGVQGSEO-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccncc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895118475 636065294 /nfs/dbraw/zinc/06/52/94/636065294.db2.gz JFFVJRWGVQGSEO-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cnccc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895118008 636065602 /nfs/dbraw/zinc/06/56/02/636065602.db2.gz FFEVCMRQFNBDND-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cnccc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895118008 636065606 /nfs/dbraw/zinc/06/56/06/636065606.db2.gz FFEVCMRQFNBDND-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cncc(F)c2)[nH+]c1C ZINC000896916611 636257535 /nfs/dbraw/zinc/25/75/35/636257535.db2.gz FMHGDTLGTNKXTP-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO O=C(N1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728593172 636278998 /nfs/dbraw/zinc/27/89/98/636278998.db2.gz RMBBSUYIIQFDRF-LBPRGKRZSA-N 1 2 248.330 1.736 20 0 BDADLO CCC(C)(C)OCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000909576922 636281229 /nfs/dbraw/zinc/28/12/29/636281229.db2.gz OCJPOIAHACSDOA-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH+]1CCC(O)CC1 ZINC000304336614 636323181 /nfs/dbraw/zinc/32/31/81/636323181.db2.gz SIFOZIANLPQWMX-JTQLQIEISA-N 1 2 229.320 1.175 20 0 BDADLO CNc1cc(NCc2cnccc2C)nc[nH+]1 ZINC000163270693 636346869 /nfs/dbraw/zinc/34/68/69/636346869.db2.gz GDAQYEXETZJSKD-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CNc1ccc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000840517402 636487156 /nfs/dbraw/zinc/48/71/56/636487156.db2.gz FPWLTBBHKVJLHS-UHFFFAOYSA-N 1 2 246.270 1.177 20 0 BDADLO C[C@@H]1COC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000928906246 636487959 /nfs/dbraw/zinc/48/79/59/636487959.db2.gz QNSCOLYDZXZCBH-NXEZZACHSA-N 1 2 245.282 1.099 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC(F)C2)c[nH+]1 ZINC000897371145 636526060 /nfs/dbraw/zinc/52/60/60/636526060.db2.gz OMFKENHATWGNSC-UHFFFAOYSA-N 1 2 225.267 1.107 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cnn(C)n1 ZINC000925274291 636699087 /nfs/dbraw/zinc/69/90/87/636699087.db2.gz LTYCNPJJJTVFIE-GWCFXTLKSA-N 1 2 246.314 1.199 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)OC(C)(C)C ZINC000925281802 636709393 /nfs/dbraw/zinc/70/93/93/636709393.db2.gz MGWVLHSYULGQFO-GMTAPVOTSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCOC(C)(C)C1 ZINC000929119105 636809345 /nfs/dbraw/zinc/80/93/45/636809345.db2.gz YIFLPYHPWDJBIP-YFHOEESVSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCOC(C)(C)C1 ZINC000929119105 636809349 /nfs/dbraw/zinc/80/93/49/636809349.db2.gz YIFLPYHPWDJBIP-YFHOEESVSA-N 1 2 227.304 1.217 20 0 BDADLO COc1nccnc1C[NH2+][C@@H](C)c1ccnn1C ZINC000865838466 636825259 /nfs/dbraw/zinc/82/52/59/636825259.db2.gz JCEGATZKEPULIG-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2cnn(C)n2)cn1 ZINC000924696081 637005259 /nfs/dbraw/zinc/00/52/59/637005259.db2.gz MOHBOSHTTLSEOB-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1nc[nH]c1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898910404 637063969 /nfs/dbraw/zinc/06/39/69/637063969.db2.gz PYIVVNGKBJKSGE-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO CC(C)(CNC(=O)C1(C2CC2)CC1)n1cc[nH+]c1 ZINC000898912008 637064621 /nfs/dbraw/zinc/06/46/21/637064621.db2.gz CEJJTTUSPAQOFE-UHFFFAOYSA-N 1 2 247.342 1.925 20 0 BDADLO Cc1conc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898910965 637065338 /nfs/dbraw/zinc/06/53/38/637065338.db2.gz DFAVYGXOLIJSSG-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1CO)c1cnn(C)n1 ZINC000924759921 637099771 /nfs/dbraw/zinc/09/97/71/637099771.db2.gz BLAWRZXEPFEYGK-JTQLQIEISA-N 1 2 246.314 1.158 20 0 BDADLO CCn1cc(C[N@H+](C)CC2=CCSC2)nn1 ZINC000899885755 637147509 /nfs/dbraw/zinc/14/75/09/637147509.db2.gz GSVRABXFCAMJNC-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO CCn1cc(C[N@@H+](C)CC2=CCSC2)nn1 ZINC000899885755 637147514 /nfs/dbraw/zinc/14/75/14/637147514.db2.gz GSVRABXFCAMJNC-UHFFFAOYSA-N 1 2 238.360 1.403 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)[C@H](C)CO1 ZINC000900136299 637172212 /nfs/dbraw/zinc/17/22/12/637172212.db2.gz HYDZPZVGIWMFEG-GHMZBOCLSA-N 1 2 249.314 1.129 20 0 BDADLO C[C@@H]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900141840 637173841 /nfs/dbraw/zinc/17/38/41/637173841.db2.gz RIYWICKQUPWXHK-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO C/C(Cl)=C/C(=O)NCc1[nH]c[nH+]c1C ZINC000900920172 637203905 /nfs/dbraw/zinc/20/39/05/637203905.db2.gz OMTNMSXPFMSJPY-UTCJRWHESA-N 1 2 213.668 1.477 20 0 BDADLO O=C([O-])c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000042417098 637239481 /nfs/dbraw/zinc/23/94/81/637239481.db2.gz PWEKHFYPWVEGDX-UHFFFAOYSA-N 1 2 234.299 1.180 20 0 BDADLO O=C([O-])c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000042417098 637239486 /nfs/dbraw/zinc/23/94/86/637239486.db2.gz PWEKHFYPWVEGDX-UHFFFAOYSA-N 1 2 234.299 1.180 20 0 BDADLO COCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000042459204 637259019 /nfs/dbraw/zinc/25/90/19/637259019.db2.gz YNLDLYUNOOAOEU-UHFFFAOYSA-N 1 2 231.727 1.460 20 0 BDADLO COCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000042459204 637259028 /nfs/dbraw/zinc/25/90/28/637259028.db2.gz YNLDLYUNOOAOEU-UHFFFAOYSA-N 1 2 231.727 1.460 20 0 BDADLO Cn1cncc1CCCO[NH+]=C(N)C1CCC1 ZINC000902614638 637315527 /nfs/dbraw/zinc/31/55/27/637315527.db2.gz YWZQYWNKUINJBX-UHFFFAOYSA-N 1 2 236.319 1.651 20 0 BDADLO CCOCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272653 637394323 /nfs/dbraw/zinc/39/43/23/637394323.db2.gz WEGRMIYCGMAXDM-UHFFFAOYSA-N 1 2 248.286 1.601 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(CCCF)n1 ZINC000904262745 637395334 /nfs/dbraw/zinc/39/53/34/637395334.db2.gz KQBMOEMZGLCJDN-UHFFFAOYSA-N 1 2 236.250 1.924 20 0 BDADLO CC[NH2+]Cc1noc(COC(F)(F)F)n1 ZINC000904495094 637423990 /nfs/dbraw/zinc/42/39/90/637423990.db2.gz QIFJQDZYZZGCKG-UHFFFAOYSA-N 1 2 225.170 1.216 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000904578011 637436638 /nfs/dbraw/zinc/43/66/38/637436638.db2.gz IJZFJEYMTGKTHU-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000904578011 637436642 /nfs/dbraw/zinc/43/66/42/637436642.db2.gz IJZFJEYMTGKTHU-JTQLQIEISA-N 1 2 246.270 1.135 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905059967 637595754 /nfs/dbraw/zinc/59/57/54/637595754.db2.gz ZRLMRABEKQCXLU-UHFFFAOYSA-N 1 2 238.335 1.488 20 0 BDADLO CC(=O)CCn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905059967 637595761 /nfs/dbraw/zinc/59/57/61/637595761.db2.gz ZRLMRABEKQCXLU-UHFFFAOYSA-N 1 2 238.335 1.488 20 0 BDADLO CC[C@](O)(C[NH2+]Cc1ccon1)C(F)(F)F ZINC000905146135 637652937 /nfs/dbraw/zinc/65/29/37/637652937.db2.gz GJPLEZWJOFKTMK-QMMMGPOBSA-N 1 2 238.209 1.468 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCc1ccoc1)C(=O)OC ZINC000905776018 637906643 /nfs/dbraw/zinc/90/66/43/637906643.db2.gz ZTXZNIRHGSDNDH-JQWIXIFHSA-N 1 2 239.315 1.999 20 0 BDADLO O=[S@@](CC[NH+]1CCSCC1)C(F)(F)F ZINC000905911602 637984064 /nfs/dbraw/zinc/98/40/64/637984064.db2.gz UYQUASWXAJVSSS-AWEZNQCLSA-N 1 2 247.307 1.304 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCC[C@@H](O)C2)c(C)[nH+]1 ZINC000906044722 638035402 /nfs/dbraw/zinc/03/54/02/638035402.db2.gz OIANNPDVXALSJS-GFCCVEGCSA-N 1 2 248.326 1.604 20 0 BDADLO CCCC[NH2+][C@H](CC(F)F)C(=O)OC ZINC000906527018 638191322 /nfs/dbraw/zinc/19/13/22/638191322.db2.gz CNPCQUDBCBXAMQ-SSDOTTSWSA-N 1 2 209.236 1.573 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[C@H]1CCCO1 ZINC000906697616 638233995 /nfs/dbraw/zinc/23/39/95/638233995.db2.gz QDPBPTZNXWRELL-CMPLNLGQSA-N 1 2 249.314 1.082 20 0 BDADLO CCCCOC(=O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000043447871 638346515 /nfs/dbraw/zinc/34/65/15/638346515.db2.gz WSOKXDOTXJMZMZ-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043447871 638346519 /nfs/dbraw/zinc/34/65/19/638346519.db2.gz WSOKXDOTXJMZMZ-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CSCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907500762 638393263 /nfs/dbraw/zinc/39/32/63/638393263.db2.gz GVWQPMLJUZUDDQ-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932335663 711454635 /nfs/dbraw/zinc/45/46/35/711454635.db2.gz LIVIWFPWNJKWHZ-WDEREUQCSA-N 1 2 221.304 1.648 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932335663 711454638 /nfs/dbraw/zinc/45/46/38/711454638.db2.gz LIVIWFPWNJKWHZ-WDEREUQCSA-N 1 2 221.304 1.648 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907676360 638441071 /nfs/dbraw/zinc/44/10/71/638441071.db2.gz LPXWSXGXZXKXDB-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC1CC(F)(F)C1 ZINC000907743074 638454582 /nfs/dbraw/zinc/45/45/82/638454582.db2.gz OJTWPZFRCJIXKY-UHFFFAOYSA-N 1 2 241.241 1.407 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCF)C1 ZINC000907777687 638471586 /nfs/dbraw/zinc/47/15/86/638471586.db2.gz HCJMMLCEUHOIAV-SNVBAGLBSA-N 1 2 239.294 1.486 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(F)(F)CC1 ZINC000907915819 638511175 /nfs/dbraw/zinc/51/11/75/638511175.db2.gz LLZQUXYTUSCKGD-UHFFFAOYSA-N 1 2 229.230 1.210 20 0 BDADLO C[C@H]1CCC[C@H](C)N1NC(=O)Cn1cc[nH+]c1 ZINC000907987155 638538381 /nfs/dbraw/zinc/53/83/81/638538381.db2.gz JLPZERSDDIFCJX-QWRGUYRKSA-N 1 2 236.319 1.177 20 0 BDADLO COCC1(NC(=O)CNc2cccc[nH+]2)CCC1 ZINC000908087777 638561764 /nfs/dbraw/zinc/56/17/64/638561764.db2.gz ZSKMSOJDIUQWEE-UHFFFAOYSA-N 1 2 249.314 1.179 20 0 BDADLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C)C(C)C ZINC000908274279 638628589 /nfs/dbraw/zinc/62/85/89/638628589.db2.gz MOIRPYMYLIUWFL-SNVBAGLBSA-N 1 2 223.320 1.845 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927485759 638634121 /nfs/dbraw/zinc/63/41/21/638634121.db2.gz DSXRXGHQOUUYEZ-DMDPSCGWSA-N 1 2 247.342 1.515 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1CC(F)(F)C1 ZINC000908341127 638657874 /nfs/dbraw/zinc/65/78/74/638657874.db2.gz UBVYDTGOESERHR-UHFFFAOYSA-N 1 2 229.230 1.114 20 0 BDADLO CO[C@H](CNC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000908430044 638708672 /nfs/dbraw/zinc/70/86/72/638708672.db2.gz FPWRIBVGUXUYFZ-LLVKDONJSA-N 1 2 249.314 1.035 20 0 BDADLO CC[C@H](C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908541898 639007972 /nfs/dbraw/zinc/00/79/72/639007972.db2.gz BTMXLSWGGJCFTH-GXSJLCMTSA-N 1 2 239.319 1.130 20 0 BDADLO CCC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000908557647 639014085 /nfs/dbraw/zinc/01/40/85/639014085.db2.gz RFJLEPQNZHHNLE-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CCn1ccnc1[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908668391 639042605 /nfs/dbraw/zinc/04/26/05/639042605.db2.gz DRWSTOHYRWZJTH-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908940154 639096845 /nfs/dbraw/zinc/09/68/45/639096845.db2.gz IXCUAIRPYQBVRL-BDAKNGLRSA-N 1 2 207.277 1.115 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC12CCC(CC1)CC2 ZINC000909043256 639125368 /nfs/dbraw/zinc/12/53/68/639125368.db2.gz PFKLWLFTHDHDKI-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CC(=O)CCCCCNC(=O)Cn1cc[nH+]c1 ZINC000909097144 639142245 /nfs/dbraw/zinc/14/22/45/639142245.db2.gz LAQHJNNBZWUCFO-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CCC1(CNC(=O)CNc2cccc[nH+]2)COC1 ZINC000909248042 639181997 /nfs/dbraw/zinc/18/19/97/639181997.db2.gz CMVUOETVBSMPHB-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO CCOC[C@H]1CC[N@H+](Cn2ccsc2=O)C1 ZINC000746612497 639231799 /nfs/dbraw/zinc/23/17/99/639231799.db2.gz AYQKTQWNMAMUGZ-JTQLQIEISA-N 1 2 242.344 1.226 20 0 BDADLO CCOC[C@H]1CC[N@@H+](Cn2ccsc2=O)C1 ZINC000746612497 639231803 /nfs/dbraw/zinc/23/18/03/639231803.db2.gz AYQKTQWNMAMUGZ-JTQLQIEISA-N 1 2 242.344 1.226 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC000909913029 639256513 /nfs/dbraw/zinc/25/65/13/639256513.db2.gz ZVFOWOXPDOZJHN-QWRGUYRKSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000910076506 639366429 /nfs/dbraw/zinc/36/64/29/639366429.db2.gz RBDFWTWZOPMJMY-ZETCQYMHSA-N 1 2 247.302 1.170 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000910077453 639367494 /nfs/dbraw/zinc/36/74/94/639367494.db2.gz WPLHRJKRFMWEKS-MRVPVSSYSA-N 1 2 247.302 1.100 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccn1 ZINC000910339885 639419088 /nfs/dbraw/zinc/41/90/88/639419088.db2.gz IYAKBZZWGLLKHW-NSHDSACASA-N 1 2 244.298 1.615 20 0 BDADLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC(C)(C)C1 ZINC000910468097 639462192 /nfs/dbraw/zinc/46/21/92/639462192.db2.gz LGMVYORCJMRJDB-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C2CCC2)C1 ZINC000910588035 639479018 /nfs/dbraw/zinc/47/90/18/639479018.db2.gz ZESINKNUKLQFLQ-LLVKDONJSA-N 1 2 233.315 1.601 20 0 BDADLO Cc1cc(=O)[nH]c(NC(=O)CCn2cc[nH+]c2)c1 ZINC000910594023 639485927 /nfs/dbraw/zinc/48/59/27/639485927.db2.gz WVLQWHZJIPKNTQ-UHFFFAOYSA-N 1 2 246.270 1.321 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CC1(C)C ZINC000910928193 639540223 /nfs/dbraw/zinc/54/02/23/639540223.db2.gz WYRQWUFHZIBKDI-QWRGUYRKSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(C[C@@H]1CC=CCC1)NCCn1cc[nH+]c1 ZINC000930223053 639636428 /nfs/dbraw/zinc/63/64/28/639636428.db2.gz UHWWCLIEYXLQLL-GFCCVEGCSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2CO[C@H](C)C2)c(C)[nH+]1 ZINC000911599844 639673819 /nfs/dbraw/zinc/67/38/19/639673819.db2.gz NCLUJZFZIUMQDM-ZYHUDNBSSA-N 1 2 248.326 1.914 20 0 BDADLO CN(C(=O)CNc1cccc[nH+]1)C(C)(C)C ZINC000911589455 639678786 /nfs/dbraw/zinc/67/87/86/639678786.db2.gz DUMMWPHZCURUIA-UHFFFAOYSA-N 1 2 221.304 1.750 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H](c3ccccn3)C2)s1 ZINC000930314018 639698412 /nfs/dbraw/zinc/69/84/12/639698412.db2.gz IHIJTVJDYDYRAK-JTQLQIEISA-N 1 2 246.339 1.923 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H](c3ccccn3)C2)s1 ZINC000930314018 639698414 /nfs/dbraw/zinc/69/84/14/639698414.db2.gz IHIJTVJDYDYRAK-JTQLQIEISA-N 1 2 246.339 1.923 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000930365728 639733252 /nfs/dbraw/zinc/73/32/52/639733252.db2.gz ZXDYUQIGKOGRAJ-CYBMUJFWSA-N 1 2 238.306 1.605 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000930365728 639733258 /nfs/dbraw/zinc/73/32/58/639733258.db2.gz ZXDYUQIGKOGRAJ-CYBMUJFWSA-N 1 2 238.306 1.605 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc3c2COCC3)[C@@H]1C ZINC000930581919 639814001 /nfs/dbraw/zinc/81/40/01/639814001.db2.gz KANVJHFIVMKBLC-RKDXNWHRSA-N 1 2 222.288 1.588 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc3c2COCC3)[C@@H]1C ZINC000930581919 639814002 /nfs/dbraw/zinc/81/40/02/639814002.db2.gz KANVJHFIVMKBLC-RKDXNWHRSA-N 1 2 222.288 1.588 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000930603475 639815117 /nfs/dbraw/zinc/81/51/17/639815117.db2.gz MQXYGTWKGKQOMK-LPEHRKFASA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000930603475 639815118 /nfs/dbraw/zinc/81/51/18/639815118.db2.gz MQXYGTWKGKQOMK-LPEHRKFASA-N 1 2 217.284 1.618 20 0 BDADLO C[C@]1(F)CCC[N@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000930596934 639816237 /nfs/dbraw/zinc/81/62/37/639816237.db2.gz YZOVFWLYKWRFOX-QWRGUYRKSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000930596934 639816238 /nfs/dbraw/zinc/81/62/38/639816238.db2.gz YZOVFWLYKWRFOX-QWRGUYRKSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930622814 639826685 /nfs/dbraw/zinc/82/66/85/639826685.db2.gz KZLOCNGQPAERFU-LDYMZIIASA-N 1 2 243.257 1.240 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930622814 639826691 /nfs/dbraw/zinc/82/66/91/639826691.db2.gz KZLOCNGQPAERFU-LDYMZIIASA-N 1 2 243.257 1.240 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nncs2)C[C@H]1C ZINC000930637716 639834848 /nfs/dbraw/zinc/83/48/48/639834848.db2.gz LWEUTIYETLWXQK-BDAKNGLRSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nncs2)C[C@H]1C ZINC000930637716 639834852 /nfs/dbraw/zinc/83/48/52/639834852.db2.gz LWEUTIYETLWXQK-BDAKNGLRSA-N 1 2 227.333 1.395 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000930641515 639838948 /nfs/dbraw/zinc/83/89/48/639838948.db2.gz QUSCESYRIGLTCZ-DDHJBXDOSA-N 1 2 243.347 1.731 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930665722 639852319 /nfs/dbraw/zinc/85/23/19/639852319.db2.gz PZVPIULZSKFAFH-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930665722 639852321 /nfs/dbraw/zinc/85/23/21/639852321.db2.gz PZVPIULZSKFAFH-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930746284 639894352 /nfs/dbraw/zinc/89/43/52/639894352.db2.gz BFBMBWLKCDNTPP-VIFPVBQESA-N 1 2 247.298 1.575 20 0 BDADLO OC[C@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000930811516 639913004 /nfs/dbraw/zinc/91/30/04/639913004.db2.gz XCSMABYIMIFNAW-MRVPVSSYSA-N 1 2 247.747 1.113 20 0 BDADLO OC[C@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000930811516 639913007 /nfs/dbraw/zinc/91/30/07/639913007.db2.gz XCSMABYIMIFNAW-MRVPVSSYSA-N 1 2 247.747 1.113 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC(=O)CC12CCC2 ZINC000911997431 639917457 /nfs/dbraw/zinc/91/74/57/639917457.db2.gz QDDVGORRWDLIAE-UHFFFAOYSA-N 1 2 247.298 1.066 20 0 BDADLO Cc1ccnc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC000930837161 639935551 /nfs/dbraw/zinc/93/55/51/639935551.db2.gz LACLJAJQHIWANN-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccnc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC000930837161 639935558 /nfs/dbraw/zinc/93/55/58/639935558.db2.gz LACLJAJQHIWANN-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO CC(C)Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000912093759 639946098 /nfs/dbraw/zinc/94/60/98/639946098.db2.gz ZWARJZJAROYBDU-UHFFFAOYSA-N 1 2 247.302 1.513 20 0 BDADLO C[C@H]1CCCCN1NC(=O)CNc1cccc[nH+]1 ZINC000912139032 639962607 /nfs/dbraw/zinc/96/26/07/639962607.db2.gz FNQLENHQZQLEMJ-NSHDSACASA-N 1 2 248.330 1.399 20 0 BDADLO CCSCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930875071 639966245 /nfs/dbraw/zinc/96/62/45/639966245.db2.gz LAFYZFFZVUUPIX-NSHDSACASA-N 1 2 231.361 1.813 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccns2)o1 ZINC000930970234 640004545 /nfs/dbraw/zinc/00/45/45/640004545.db2.gz YDDLHHUIUPYUQA-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccns2)o1 ZINC000930970234 640004551 /nfs/dbraw/zinc/00/45/51/640004551.db2.gz YDDLHHUIUPYUQA-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1ccncc1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912384969 640037695 /nfs/dbraw/zinc/03/76/95/640037695.db2.gz PQUHWDSBZCDUAK-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO OCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135797 640072562 /nfs/dbraw/zinc/07/25/62/640072562.db2.gz JVRDXVXBNCZFKK-JTQLQIEISA-N 1 2 224.308 1.104 20 0 BDADLO OCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135797 640072571 /nfs/dbraw/zinc/07/25/71/640072571.db2.gz JVRDXVXBNCZFKK-JTQLQIEISA-N 1 2 224.308 1.104 20 0 BDADLO COCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134616 640073931 /nfs/dbraw/zinc/07/39/31/640073931.db2.gz OMNGKZQCABCJMA-JTQLQIEISA-N 1 2 224.308 1.368 20 0 BDADLO COCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134616 640073937 /nfs/dbraw/zinc/07/39/37/640073937.db2.gz OMNGKZQCABCJMA-JTQLQIEISA-N 1 2 224.308 1.368 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140638 640076202 /nfs/dbraw/zinc/07/62/02/640076202.db2.gz RNKGIDOCZZIKGU-VHSXEESVSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140638 640076207 /nfs/dbraw/zinc/07/62/07/640076207.db2.gz RNKGIDOCZZIKGU-VHSXEESVSA-N 1 2 238.335 1.349 20 0 BDADLO CCCCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931240778 640109619 /nfs/dbraw/zinc/10/96/19/640109619.db2.gz KZGHTIABEQJLNC-UHFFFAOYSA-N 1 2 219.350 1.296 20 0 BDADLO CCCCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931240778 640109628 /nfs/dbraw/zinc/10/96/28/640109628.db2.gz KZGHTIABEQJLNC-UHFFFAOYSA-N 1 2 219.350 1.296 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912717435 640176961 /nfs/dbraw/zinc/17/69/61/640176961.db2.gz OAWOBIIBGXIMQQ-RISCZKNCSA-N 1 2 248.326 1.914 20 0 BDADLO Cc1oncc1C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931460084 640217276 /nfs/dbraw/zinc/21/72/76/640217276.db2.gz DKIYLCQSVUYGIF-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1oncc1C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931460084 640217284 /nfs/dbraw/zinc/21/72/84/640217284.db2.gz DKIYLCQSVUYGIF-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO CCn1cc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)nn1 ZINC000931466649 640226892 /nfs/dbraw/zinc/22/68/92/640226892.db2.gz KQNLZIIAYODWLY-SECBINFHSA-N 1 2 246.318 1.140 20 0 BDADLO CCn1cc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)nn1 ZINC000931466649 640226897 /nfs/dbraw/zinc/22/68/97/640226897.db2.gz KQNLZIIAYODWLY-SECBINFHSA-N 1 2 246.318 1.140 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ncccn1 ZINC000931570861 640277100 /nfs/dbraw/zinc/27/71/00/640277100.db2.gz NRAVJMRQCZMQQT-MNOVXSKESA-N 1 2 243.314 1.859 20 0 BDADLO CCC(F)(F)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000913017080 640283846 /nfs/dbraw/zinc/28/38/46/640283846.db2.gz WWMSXRJYEKRXNI-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO FC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC000931686584 640316044 /nfs/dbraw/zinc/31/60/44/640316044.db2.gz OPPWPEYHTJDWOQ-UHFFFAOYSA-N 1 2 240.278 1.681 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC=CC12CCCC2 ZINC000913198527 640325377 /nfs/dbraw/zinc/32/53/77/640325377.db2.gz DGGZZTLNRWJZGW-UHFFFAOYSA-N 1 2 245.326 1.984 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3ncccn3)C2)no1 ZINC000931934880 640396840 /nfs/dbraw/zinc/39/68/40/640396840.db2.gz HDTDYUBVJDESTH-SNVBAGLBSA-N 1 2 245.286 1.158 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ncccn3)C2)no1 ZINC000931934880 640396846 /nfs/dbraw/zinc/39/68/46/640396846.db2.gz HDTDYUBVJDESTH-SNVBAGLBSA-N 1 2 245.286 1.158 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000054764767 640404065 /nfs/dbraw/zinc/40/40/65/640404065.db2.gz BGBXSMDHSOMHAR-NSHDSACASA-N 1 2 231.303 1.310 20 0 BDADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3c[nH]cn3)C[C@@H]21 ZINC000932054647 640416257 /nfs/dbraw/zinc/41/62/57/640416257.db2.gz TUNABUWSQHWOJC-GRYCIOLGSA-N 1 2 249.314 1.041 20 0 BDADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3c[nH]cn3)C[C@@H]21 ZINC000932054647 640416261 /nfs/dbraw/zinc/41/62/61/640416261.db2.gz TUNABUWSQHWOJC-GRYCIOLGSA-N 1 2 249.314 1.041 20 0 BDADLO CNc1cc(N(C)Cc2cccnc2)nc[nH+]1 ZINC000129556914 640434483 /nfs/dbraw/zinc/43/44/83/640434483.db2.gz ASCYBSXLDYOUBA-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CNc1cc(N(C)Cc2cccnc2)[nH+]cn1 ZINC000129556914 640434490 /nfs/dbraw/zinc/43/44/90/640434490.db2.gz ASCYBSXLDYOUBA-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CC(C)C[N@H+](Cc1ccccn1)[C@@H]1CCOC1=O ZINC000932444920 640529891 /nfs/dbraw/zinc/52/98/91/640529891.db2.gz PHBBITCDFVXSIS-CYBMUJFWSA-N 1 2 248.326 1.855 20 0 BDADLO CC(C)C[N@@H+](Cc1ccccn1)[C@@H]1CCOC1=O ZINC000932444920 640529894 /nfs/dbraw/zinc/52/98/94/640529894.db2.gz PHBBITCDFVXSIS-CYBMUJFWSA-N 1 2 248.326 1.855 20 0 BDADLO COC[C@H](C)[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030043896 640537039 /nfs/dbraw/zinc/53/70/39/640537039.db2.gz KPRKSCQDYGRYLM-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000932476209 640542511 /nfs/dbraw/zinc/54/25/11/640542511.db2.gz XOZOGQGUTHBFDR-SDDRHHMPSA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2ccccn2)C1 ZINC001030049745 640543236 /nfs/dbraw/zinc/54/32/36/640543236.db2.gz PQUOTMMZPFPSHA-UHFFFAOYSA-N 1 2 245.326 1.462 20 0 BDADLO C[C@H]1COC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000932502641 640560522 /nfs/dbraw/zinc/56/05/22/640560522.db2.gz WISBSZMMBGWOFB-CBAPKCEASA-N 1 2 223.276 1.072 20 0 BDADLO COCC[NH+]1CC(NC(=O)C2CCCCC2)C1 ZINC001030061303 640561940 /nfs/dbraw/zinc/56/19/40/640561940.db2.gz MRTBXLCQGLLQGK-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)C1CCCCC1 ZINC001030062248 640562734 /nfs/dbraw/zinc/56/27/34/640562734.db2.gz ZSRLLISAAHMOMJ-UHFFFAOYSA-N 1 2 242.338 1.727 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCn2cccc2C1 ZINC000932524956 640563447 /nfs/dbraw/zinc/56/34/47/640563447.db2.gz QGAHIZXXOCZKIU-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCn2cccc2C1 ZINC000932524956 640563452 /nfs/dbraw/zinc/56/34/52/640563452.db2.gz QGAHIZXXOCZKIU-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO c1cc2n(c1)CC[N@@H+](Cc1c[nH]cn1)C2 ZINC000932526866 640566769 /nfs/dbraw/zinc/56/67/69/640566769.db2.gz SBBUQUSOBHSBNV-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO c1cc2n(c1)CC[N@H+](Cc1c[nH]cn1)C2 ZINC000932526866 640566773 /nfs/dbraw/zinc/56/67/73/640566773.db2.gz SBBUQUSOBHSBNV-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO Cc1cc(NC(=O)C2(n3cccn3)CC2)cc[nH+]1 ZINC000932606696 640583395 /nfs/dbraw/zinc/58/33/95/640583395.db2.gz YPKYIENFBAHAIU-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)oc2C)C1 ZINC001030096738 640590804 /nfs/dbraw/zinc/59/08/04/640590804.db2.gz RACXAKYTCFRRPK-UHFFFAOYSA-N 1 2 222.288 1.330 20 0 BDADLO C[C@@H](F)CC[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC001030105637 640597708 /nfs/dbraw/zinc/59/77/08/640597708.db2.gz OEWXSUDBJVSUIR-SECBINFHSA-N 1 2 240.278 1.442 20 0 BDADLO CC(C)C(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001030113719 640603303 /nfs/dbraw/zinc/60/33/03/640603303.db2.gz VLAAUHQPGLRZOZ-CMPLNLGQSA-N 1 2 240.347 1.010 20 0 BDADLO COC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000167393647 640718806 /nfs/dbraw/zinc/71/88/06/640718806.db2.gz LHVZZFUTMUDGBG-UHFFFAOYSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C=CCC1 ZINC000933994512 640800836 /nfs/dbraw/zinc/80/08/36/640800836.db2.gz XSJJMMFRPLZWQR-LBPRGKRZSA-N 1 2 219.288 1.691 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000227934922 640854529 /nfs/dbraw/zinc/85/45/29/640854529.db2.gz RGBWZPWRJKKOBN-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001030518768 640892728 /nfs/dbraw/zinc/89/27/28/640892728.db2.gz FXUFOYJAEMDSJP-LLVKDONJSA-N 1 2 222.332 1.387 20 0 BDADLO CCc1ccc(C(=O)NC2C[NH+](C(C)C)C2)o1 ZINC001030538339 640905503 /nfs/dbraw/zinc/90/55/03/640905503.db2.gz JSKCHPMMMVFBMB-UHFFFAOYSA-N 1 2 236.315 1.664 20 0 BDADLO C[N@H+](Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000061190425 640936541 /nfs/dbraw/zinc/93/65/41/640936541.db2.gz PXVABEUIVFFERD-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000061190425 640936543 /nfs/dbraw/zinc/93/65/43/640936543.db2.gz PXVABEUIVFFERD-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO COCC[NH2+]Cc1nc([C@H]2CCCS2)no1 ZINC000087699828 640977525 /nfs/dbraw/zinc/97/75/25/640977525.db2.gz OLACYQUOJTYASZ-MRVPVSSYSA-N 1 2 243.332 1.374 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)[C@H]1C=CCCC1 ZINC000171737491 641009350 /nfs/dbraw/zinc/00/93/50/641009350.db2.gz NEUNXQLJBDCTJC-JTQLQIEISA-N 1 2 217.334 1.072 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)[C@H]1C=CCCC1 ZINC000171737491 641009353 /nfs/dbraw/zinc/00/93/53/641009353.db2.gz NEUNXQLJBDCTJC-JTQLQIEISA-N 1 2 217.334 1.072 20 0 BDADLO C[C@@H]([NH2+]Cc1ccoc1)c1nnc2n1CCC2 ZINC000062103574 641021732 /nfs/dbraw/zinc/02/17/32/641021732.db2.gz PWYRIICPUNHDBU-SECBINFHSA-N 1 2 232.287 1.668 20 0 BDADLO CNc1cc(N2CCOC(C)(C)C2)nc[nH+]1 ZINC000087819412 641056322 /nfs/dbraw/zinc/05/63/22/641056322.db2.gz CBEQCNCLDRTFOK-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N2CCOC(C)(C)C2)[nH+]cn1 ZINC000087819412 641056325 /nfs/dbraw/zinc/05/63/25/641056325.db2.gz CBEQCNCLDRTFOK-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000087829971 641063307 /nfs/dbraw/zinc/06/33/07/641063307.db2.gz NXGNKZCGRGKSGM-MRVPVSSYSA-N 1 2 208.265 1.109 20 0 BDADLO CNc1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000087829971 641063309 /nfs/dbraw/zinc/06/33/09/641063309.db2.gz NXGNKZCGRGKSGM-MRVPVSSYSA-N 1 2 208.265 1.109 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(C)on1 ZINC000934106490 641070039 /nfs/dbraw/zinc/07/00/39/641070039.db2.gz ISCBATGRGVWRSI-GHMZBOCLSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(C)on1 ZINC000934106490 641070042 /nfs/dbraw/zinc/07/00/42/641070042.db2.gz ISCBATGRGVWRSI-GHMZBOCLSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000934108494 641071745 /nfs/dbraw/zinc/07/17/45/641071745.db2.gz QJWFEOWTDYFMTJ-SZEHBUNVSA-N 1 2 224.308 1.283 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000934108494 641071749 /nfs/dbraw/zinc/07/17/49/641071749.db2.gz QJWFEOWTDYFMTJ-SZEHBUNVSA-N 1 2 224.308 1.283 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cscn1 ZINC000934128626 641086205 /nfs/dbraw/zinc/08/62/05/641086205.db2.gz SVPXXJDLGAPROP-VHSXEESVSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cscn1 ZINC000934128626 641086208 /nfs/dbraw/zinc/08/62/08/641086208.db2.gz SVPXXJDLGAPROP-VHSXEESVSA-N 1 2 212.318 1.752 20 0 BDADLO CCc1noc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934131028 641088449 /nfs/dbraw/zinc/08/84/49/641088449.db2.gz IOIFCBJMLJDDKW-BDAKNGLRSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934131028 641088454 /nfs/dbraw/zinc/08/84/54/641088454.db2.gz IOIFCBJMLJDDKW-BDAKNGLRSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)o1 ZINC000934131276 641089092 /nfs/dbraw/zinc/08/90/92/641089092.db2.gz OZQAVAPKXQTZMQ-MNOVXSKESA-N 1 2 224.304 1.846 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)o1 ZINC000934131276 641089099 /nfs/dbraw/zinc/08/90/99/641089099.db2.gz OZQAVAPKXQTZMQ-MNOVXSKESA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCSC[C@@H]2C)[nH]1 ZINC000934305607 641122092 /nfs/dbraw/zinc/12/20/92/641122092.db2.gz ZLOZCOCUYMNFNK-VIFPVBQESA-N 1 2 240.376 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CCCSC[C@@H]2C)[nH]1 ZINC000934305607 641122098 /nfs/dbraw/zinc/12/20/98/641122098.db2.gz ZLOZCOCUYMNFNK-VIFPVBQESA-N 1 2 240.376 1.695 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCOC23CCCC3)[nH]n1 ZINC000934393627 641140825 /nfs/dbraw/zinc/14/08/25/641140825.db2.gz ZGYFLNPQVNPWPE-LLVKDONJSA-N 1 2 221.304 1.601 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@]2(C)C=CCC2)[nH+]c1C ZINC000934424536 641142669 /nfs/dbraw/zinc/14/26/69/641142669.db2.gz FTOHCKWROQTTDY-ZDUSSCGKSA-N 1 2 233.315 1.999 20 0 BDADLO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn[nH]1 ZINC000934452555 641148226 /nfs/dbraw/zinc/14/82/26/641148226.db2.gz ILLKJPUFKKHNGC-CLYYMRHHSA-N 1 2 238.310 1.907 20 0 BDADLO FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn[nH]1 ZINC000934452555 641148232 /nfs/dbraw/zinc/14/82/32/641148232.db2.gz ILLKJPUFKKHNGC-CLYYMRHHSA-N 1 2 238.310 1.907 20 0 BDADLO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]n1 ZINC000934452555 641148236 /nfs/dbraw/zinc/14/82/36/641148236.db2.gz ILLKJPUFKKHNGC-CLYYMRHHSA-N 1 2 238.310 1.907 20 0 BDADLO FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]n1 ZINC000934452555 641148243 /nfs/dbraw/zinc/14/82/43/641148243.db2.gz ILLKJPUFKKHNGC-CLYYMRHHSA-N 1 2 238.310 1.907 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000231277445 641149886 /nfs/dbraw/zinc/14/98/86/641149886.db2.gz TVTRIKKMNBKSEK-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000231277445 641149896 /nfs/dbraw/zinc/14/98/96/641149896.db2.gz TVTRIKKMNBKSEK-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO CC[NH+](CC)Cc1nc([C@@]2(C)CCCO2)no1 ZINC000350313526 641167019 /nfs/dbraw/zinc/16/70/19/641167019.db2.gz XTSOXNNLQLPVER-GFCCVEGCSA-N 1 2 239.319 1.937 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@]2(C)C2CC2)cn1 ZINC000934481596 641170984 /nfs/dbraw/zinc/17/09/84/641170984.db2.gz ISOAWLHLPQWPPX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@]2(C)C2CC2)cn1 ZINC000934481596 641170985 /nfs/dbraw/zinc/17/09/85/641170985.db2.gz ISOAWLHLPQWPPX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cn1cc[nH]c1=S ZINC000173363729 641173264 /nfs/dbraw/zinc/17/32/64/641173264.db2.gz WRPOHQVGWPHBEQ-MRVPVSSYSA-N 1 2 229.374 1.940 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cn1cc[nH]c1=S ZINC000173363729 641173270 /nfs/dbraw/zinc/17/32/70/641173270.db2.gz WRPOHQVGWPHBEQ-MRVPVSSYSA-N 1 2 229.374 1.940 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cn1cc[nH]c1=S ZINC000173363740 641173805 /nfs/dbraw/zinc/17/38/05/641173805.db2.gz WRPOHQVGWPHBEQ-QMMMGPOBSA-N 1 2 229.374 1.940 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cn1cc[nH]c1=S ZINC000173363740 641173813 /nfs/dbraw/zinc/17/38/13/641173813.db2.gz WRPOHQVGWPHBEQ-QMMMGPOBSA-N 1 2 229.374 1.940 20 0 BDADLO COC(OC)[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231640764 641190320 /nfs/dbraw/zinc/19/03/20/641190320.db2.gz YDXMDFLUDJGBOM-QMMMGPOBSA-N 1 2 214.265 1.080 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)n1 ZINC000934563278 641197136 /nfs/dbraw/zinc/19/71/36/641197136.db2.gz FERJJVTUCUSMSV-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)n1 ZINC000934563278 641197139 /nfs/dbraw/zinc/19/71/39/641197139.db2.gz FERJJVTUCUSMSV-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000088001278 641224696 /nfs/dbraw/zinc/22/46/96/641224696.db2.gz XNTIULGWXODQAT-YUMQZZPRSA-N 1 2 243.332 1.674 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001030687836 641226262 /nfs/dbraw/zinc/22/62/62/641226262.db2.gz DRLOFTGVQYWSLR-UHFFFAOYSA-N 1 2 236.359 1.777 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935029346 641321396 /nfs/dbraw/zinc/32/13/96/641321396.db2.gz RUSDYTASHLRCPI-QMMMGPOBSA-N 1 2 245.282 1.660 20 0 BDADLO CO[C@@](C)(c1noc([C@H](C)[NH+](C)C)n1)C1CC1 ZINC000350433173 641327053 /nfs/dbraw/zinc/32/70/53/641327053.db2.gz DFMXLWZCYPTJNW-QPUJVOFHSA-N 1 2 239.319 1.964 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](CO)C1 ZINC000935108387 641341997 /nfs/dbraw/zinc/34/19/97/641341997.db2.gz PCOAVWGBHNMLGU-VIFPVBQESA-N 1 2 245.282 1.017 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2c[nH]nc2C)C1 ZINC001030768119 641344107 /nfs/dbraw/zinc/34/41/07/641344107.db2.gz HBBBBCPOYMDFID-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BDADLO CC(C)(C(=O)NC1C[NH+](CCCF)C1)C1CC1 ZINC001030816808 641366547 /nfs/dbraw/zinc/36/65/47/641366547.db2.gz NNASCVSHOSAGCF-UHFFFAOYSA-N 1 2 242.338 1.583 20 0 BDADLO COC/C(C)=C/C[N@H+](C)Cc1ccon1 ZINC000929697798 641405517 /nfs/dbraw/zinc/40/55/17/641405517.db2.gz VHLIZDXRDNTLOO-ONNFQVAWSA-N 1 2 210.277 1.699 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)Cc1ccon1 ZINC000929697798 641405521 /nfs/dbraw/zinc/40/55/21/641405521.db2.gz VHLIZDXRDNTLOO-ONNFQVAWSA-N 1 2 210.277 1.699 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030911563 641416808 /nfs/dbraw/zinc/41/68/08/641416808.db2.gz SHMNSXOTPXPRON-ZYHUDNBSSA-N 1 2 224.348 1.633 20 0 BDADLO C[C@@H]1C[C@H](O)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935590565 641432663 /nfs/dbraw/zinc/43/26/63/641432663.db2.gz DDFZUKAMDSQXRU-SCZZXKLOSA-N 1 2 245.282 1.158 20 0 BDADLO CS(C)(=O)=NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913639303 641440880 /nfs/dbraw/zinc/44/08/80/641440880.db2.gz UTNCTESJPRGGDX-NXEZZACHSA-N 1 2 244.360 1.258 20 0 BDADLO CS(C)(=O)=NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913639303 641440884 /nfs/dbraw/zinc/44/08/84/641440884.db2.gz UTNCTESJPRGGDX-NXEZZACHSA-N 1 2 244.360 1.258 20 0 BDADLO CC1(F)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935734962 641470592 /nfs/dbraw/zinc/47/05/92/641470592.db2.gz CQISRWKBTCDHOR-UHFFFAOYSA-N 1 2 233.246 1.747 20 0 BDADLO O=Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)co1 ZINC000935748894 641474802 /nfs/dbraw/zinc/47/48/02/641474802.db2.gz JRVZEZZQNOCABU-UHFFFAOYSA-N 1 2 248.282 1.084 20 0 BDADLO O=Cc1cc(C(=O)NCC[N@@H+]2CC=CCC2)co1 ZINC000935748894 641474808 /nfs/dbraw/zinc/47/48/08/641474808.db2.gz JRVZEZZQNOCABU-UHFFFAOYSA-N 1 2 248.282 1.084 20 0 BDADLO CCCC[N@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000152059731 641513829 /nfs/dbraw/zinc/51/38/29/641513829.db2.gz BVGMAVRSIZVXPX-UHFFFAOYSA-N 1 2 248.330 1.424 20 0 BDADLO CCCC[N@@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000152059731 641513833 /nfs/dbraw/zinc/51/38/33/641513833.db2.gz BVGMAVRSIZVXPX-UHFFFAOYSA-N 1 2 248.330 1.424 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000936024787 641519491 /nfs/dbraw/zinc/51/94/91/641519491.db2.gz RGNQKGNCRBSNQZ-PRULPYPASA-N 1 2 247.342 1.719 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CC23CCC3)C1 ZINC001031022285 641599502 /nfs/dbraw/zinc/59/95/02/641599502.db2.gz BHSVMRNTIVASKR-CYBMUJFWSA-N 1 2 248.370 1.943 20 0 BDADLO CCc1oncc1C(=O)NC1C[NH+](C(C)C)C1 ZINC001031031761 641601467 /nfs/dbraw/zinc/60/14/67/641601467.db2.gz CSPXVEOOSIAMSI-UHFFFAOYSA-N 1 2 237.303 1.059 20 0 BDADLO CNc1cc(N(C)Cc2cccc(C)n2)nc[nH+]1 ZINC000157050727 641614172 /nfs/dbraw/zinc/61/41/72/641614172.db2.gz HFUXVMNOCZVOJT-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CNc1cc(N(C)Cc2cccc(C)n2)[nH+]cn1 ZINC000157050727 641614175 /nfs/dbraw/zinc/61/41/75/641614175.db2.gz HFUXVMNOCZVOJT-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152594428 641621733 /nfs/dbraw/zinc/62/17/33/641621733.db2.gz JNBURTHRTILCDU-VIFPVBQESA-N 1 2 237.303 1.429 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cccc(C)c2)no1 ZINC000159330142 641676378 /nfs/dbraw/zinc/67/63/78/641676378.db2.gz WSBLHNPNEQLIFM-JTQLQIEISA-N 1 2 233.271 1.691 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccc(OC)cc2)no1 ZINC000159333104 641676746 /nfs/dbraw/zinc/67/67/46/641676746.db2.gz OWOJOEODKMVYSU-SNVBAGLBSA-N 1 2 249.270 1.391 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2)no1 ZINC000159332988 641677509 /nfs/dbraw/zinc/67/75/09/641677509.db2.gz OWOJOEODKMVYSU-JTQLQIEISA-N 1 2 249.270 1.391 20 0 BDADLO O=C(NC(CF)CF)c1cccc2[nH+]ccn21 ZINC000833425078 641705105 /nfs/dbraw/zinc/70/51/05/641705105.db2.gz BTKGWZALDKVZDF-UHFFFAOYSA-N 1 2 239.225 1.372 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)C[C@@H]1C ZINC000159953708 641707026 /nfs/dbraw/zinc/70/70/26/641707026.db2.gz YBSSXNFAYJFLFK-ZJUUUORDSA-N 1 2 240.376 1.886 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=S)C[C@@H]1C ZINC000159953708 641707028 /nfs/dbraw/zinc/70/70/28/641707028.db2.gz YBSSXNFAYJFLFK-ZJUUUORDSA-N 1 2 240.376 1.886 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2ccco2)C1 ZINC001031128824 641725151 /nfs/dbraw/zinc/72/51/51/641725151.db2.gz UBENUDOLRLWHER-UHFFFAOYSA-N 1 2 248.326 1.589 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](COC)C(C)C ZINC000754382746 641763782 /nfs/dbraw/zinc/76/37/82/641763782.db2.gz GLZDTIJASHERRV-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cn(C)nc1C[N@H+](C)CCOC(C)(C)C ZINC000929856640 641788720 /nfs/dbraw/zinc/78/87/20/641788720.db2.gz VQTDTJVAADUXGU-UHFFFAOYSA-N 1 2 239.363 1.975 20 0 BDADLO Cc1cn(C)nc1C[N@@H+](C)CCOC(C)(C)C ZINC000929856640 641788724 /nfs/dbraw/zinc/78/87/24/641788724.db2.gz VQTDTJVAADUXGU-UHFFFAOYSA-N 1 2 239.363 1.975 20 0 BDADLO CONC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000915057536 641796807 /nfs/dbraw/zinc/79/68/07/641796807.db2.gz FYUAOFKBWNVVJH-UHFFFAOYSA-N 1 2 231.255 1.223 20 0 BDADLO NC(CCO)=[NH+]OCc1cc(Cl)ccc1F ZINC000189357886 641805232 /nfs/dbraw/zinc/80/52/32/641805232.db2.gz HNSPGXINRZWLLK-UHFFFAOYSA-N 1 2 246.669 1.650 20 0 BDADLO CC(C)[C@@H](C)[N@H+](C)Cn1ncn(C)c1=S ZINC000915210005 641809603 /nfs/dbraw/zinc/80/96/03/641809603.db2.gz XLXGULJOORSHPW-SECBINFHSA-N 1 2 228.365 1.885 20 0 BDADLO CC(C)[C@@H](C)[N@@H+](C)Cn1ncn(C)c1=S ZINC000915210005 641809605 /nfs/dbraw/zinc/80/96/05/641809605.db2.gz XLXGULJOORSHPW-SECBINFHSA-N 1 2 228.365 1.885 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(F)cccc2F)C1 ZINC001031304307 641879845 /nfs/dbraw/zinc/87/98/45/641879845.db2.gz GRVPOBXYRJBOCG-UHFFFAOYSA-N 1 2 240.253 1.399 20 0 BDADLO Nc1ccc(CSc2nncn2C2CC2)c[nH+]1 ZINC000916522223 641942054 /nfs/dbraw/zinc/94/20/54/641942054.db2.gz LQVPTTCVBVMBKI-UHFFFAOYSA-N 1 2 247.327 1.883 20 0 BDADLO c1cnc(C[NH+]2CCC(C3OCCO3)CC2)nc1 ZINC000191984052 641954744 /nfs/dbraw/zinc/95/47/44/641954744.db2.gz UCIOHGAZYJPYJC-UHFFFAOYSA-N 1 2 249.314 1.062 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001031344305 641980354 /nfs/dbraw/zinc/98/03/54/641980354.db2.gz USPIQVJFKUNZJP-UHFFFAOYSA-N 1 2 232.327 1.737 20 0 BDADLO CC(C)c1nsc(Cn2cc[nH+]c2)n1 ZINC000917360100 642050742 /nfs/dbraw/zinc/05/07/42/642050742.db2.gz ZLLCQIHLWBJTEU-UHFFFAOYSA-N 1 2 208.290 1.906 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)C1CCCCC1 ZINC001031519933 642256308 /nfs/dbraw/zinc/25/63/08/642256308.db2.gz LXJXAYUKYDFBOU-UHFFFAOYSA-N 1 2 242.338 1.584 20 0 BDADLO C[C@H](c1nc([C@@H]2CCCOC2)no1)[NH+](C)C ZINC000924026229 642438650 /nfs/dbraw/zinc/43/86/50/642438650.db2.gz CEFHRYOLKDWUNT-RKDXNWHRSA-N 1 2 225.292 1.586 20 0 BDADLO O=C(/C=C\c1ccco1)NCCc1[nH]cc[nH+]1 ZINC000254998861 642444746 /nfs/dbraw/zinc/44/47/46/642444746.db2.gz HQXPVNSWKZCMMU-ARJAWSKDSA-N 1 2 231.255 1.375 20 0 BDADLO O=[N+]([O-])c1cccc([C@@H](O)Cn2cc[nH+]c2)c1 ZINC000305172944 642645718 /nfs/dbraw/zinc/64/57/18/642645718.db2.gz KIFIQVINMIQQHO-NSHDSACASA-N 1 2 233.227 1.525 20 0 BDADLO Cc1cc(C)cc([C@@H](O)C[NH+]2CCOCC2)c1 ZINC000097986940 642652179 /nfs/dbraw/zinc/65/21/79/642652179.db2.gz TYFLBUWTGRQBOO-AWEZNQCLSA-N 1 2 235.327 1.669 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccccc1 ZINC001009948402 642847419 /nfs/dbraw/zinc/84/74/19/642847419.db2.gz HEUGFKICHDAFQB-LBPRGKRZSA-N 1 2 236.290 1.460 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccccc1 ZINC001009948402 642847421 /nfs/dbraw/zinc/84/74/21/642847421.db2.gz HEUGFKICHDAFQB-LBPRGKRZSA-N 1 2 236.290 1.460 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000181433203 642872126 /nfs/dbraw/zinc/87/21/26/642872126.db2.gz UREHBLIGVVYBJM-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000181433203 642872127 /nfs/dbraw/zinc/87/21/27/642872127.db2.gz UREHBLIGVVYBJM-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO CC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CCCC1 ZINC001015436379 642897347 /nfs/dbraw/zinc/89/73/47/642897347.db2.gz RPCQJCZSYDKYGC-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CCCC1 ZINC001015436379 642897348 /nfs/dbraw/zinc/89/73/48/642897348.db2.gz RPCQJCZSYDKYGC-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CC[N@H+](CCF)C2)c1 ZINC001015583879 642912161 /nfs/dbraw/zinc/91/21/61/642912161.db2.gz KMKQHMFJXPNPOJ-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)c1 ZINC001015583879 642912170 /nfs/dbraw/zinc/91/21/70/642912170.db2.gz KMKQHMFJXPNPOJ-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO FC(F)(F)OCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353682930 642926166 /nfs/dbraw/zinc/92/61/66/642926166.db2.gz PKVOXHGCZPYHGS-MRVPVSSYSA-N 1 2 249.236 1.913 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCCS2)n1 ZINC000070004948 642950646 /nfs/dbraw/zinc/95/06/46/642950646.db2.gz VHTIWCHDQPOWEK-SSDOTTSWSA-N 1 2 213.306 1.747 20 0 BDADLO CC#CCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181976416 642934501 /nfs/dbraw/zinc/93/45/01/642934501.db2.gz HANHWFBFLCKMCQ-ZDUSSCGKSA-N 1 2 231.295 1.856 20 0 BDADLO Cc1nnc(NCc2c[nH+]cn2C)n1C1CC1 ZINC000284344069 643063890 /nfs/dbraw/zinc/06/38/90/643063890.db2.gz VNKUWAZWUGGWJF-UHFFFAOYSA-N 1 2 232.291 1.267 20 0 BDADLO CC(C)OCCCNc1cc(N(C)C)nc[nH+]1 ZINC000216600438 643084741 /nfs/dbraw/zinc/08/47/41/643084741.db2.gz XBVTTZPXDXGSDX-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CC(C)OCCCNc1cc(N(C)C)[nH+]cn1 ZINC000216600438 643084747 /nfs/dbraw/zinc/08/47/47/643084747.db2.gz XBVTTZPXDXGSDX-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccoc1 ZINC000093055410 643337496 /nfs/dbraw/zinc/33/74/96/643337496.db2.gz XHFWNLDVQVFWKG-LLVKDONJSA-N 1 2 222.288 1.236 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccoc1 ZINC000093055410 643337500 /nfs/dbraw/zinc/33/75/00/643337500.db2.gz XHFWNLDVQVFWKG-LLVKDONJSA-N 1 2 222.288 1.236 20 0 BDADLO C[C@H]1CO[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000891016177 643452669 /nfs/dbraw/zinc/45/26/69/643452669.db2.gz HIPBEWBVAXUIPQ-KOLCDFICSA-N 1 2 245.282 1.698 20 0 BDADLO COc1ccc(C[N@H+](C)CC(C)=O)cc1F ZINC000050131828 643605767 /nfs/dbraw/zinc/60/57/67/643605767.db2.gz BYXLFWFVQVJWPU-UHFFFAOYSA-N 1 2 225.263 1.855 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(C)=O)cc1F ZINC000050131828 643605770 /nfs/dbraw/zinc/60/57/70/643605770.db2.gz BYXLFWFVQVJWPU-UHFFFAOYSA-N 1 2 225.263 1.855 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccnc(Cl)c1 ZINC000050166098 643625925 /nfs/dbraw/zinc/62/59/25/643625925.db2.gz GAAFCLVNDGLJAE-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000050166098 643625928 /nfs/dbraw/zinc/62/59/28/643625928.db2.gz GAAFCLVNDGLJAE-UHFFFAOYSA-N 1 2 241.722 1.255 20 0 BDADLO CC[C@H]1COCC[N@@H+]1C/C=C(/C)C(=O)OC ZINC000084002485 643639950 /nfs/dbraw/zinc/63/99/50/643639950.db2.gz CHCLEIOKBUXKCD-VQNWOSHQSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1COCC[N@H+]1C/C=C(/C)C(=O)OC ZINC000084002485 643639954 /nfs/dbraw/zinc/63/99/54/643639954.db2.gz CHCLEIOKBUXKCD-VQNWOSHQSA-N 1 2 227.304 1.217 20 0 BDADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)cnc1C ZINC000921872141 643813460 /nfs/dbraw/zinc/81/34/60/643813460.db2.gz NJXGFLDPKMGWGZ-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)cnc1C ZINC000921872210 643813950 /nfs/dbraw/zinc/81/39/50/643813950.db2.gz OIZCVKHUIRFNOS-UHFFFAOYSA-N 1 2 230.271 1.534 20 0 BDADLO CS[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000085988048 643880496 /nfs/dbraw/zinc/88/04/96/643880496.db2.gz KIGKDWVCNFOTEL-SSDOTTSWSA-N 1 2 214.290 1.215 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922180622 643894884 /nfs/dbraw/zinc/89/48/84/643894884.db2.gz DCYYFSAKTYIGRO-VXNVDRBHSA-N 1 2 206.245 1.363 20 0 BDADLO Cc1noc(C)c1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922189002 643897127 /nfs/dbraw/zinc/89/71/27/643897127.db2.gz IGLXIUFELZCNER-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO C#CCNC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086235828 643962747 /nfs/dbraw/zinc/96/27/47/643962747.db2.gz DSTAMSYYGOHCKY-NSHDSACASA-N 1 2 246.310 1.554 20 0 BDADLO C#CCNC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086235828 643962752 /nfs/dbraw/zinc/96/27/52/643962752.db2.gz DSTAMSYYGOHCKY-NSHDSACASA-N 1 2 246.310 1.554 20 0 BDADLO COc1ccc(C[NH2+]Cc2nonc2C)c(C)c1 ZINC000922331132 643973544 /nfs/dbraw/zinc/97/35/44/643973544.db2.gz ZHICTSHWPUWNNO-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CCO[C@H](CC)C(=O)OCc1ccc[nH+]c1N ZINC000922383441 643984065 /nfs/dbraw/zinc/98/40/65/643984065.db2.gz XPICUPMGOXTXSE-SNVBAGLBSA-N 1 2 238.287 1.522 20 0 BDADLO CCCOCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922385728 643984326 /nfs/dbraw/zinc/98/43/26/643984326.db2.gz CSBCPDJJKDSWHD-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO Cc1nn(C)cc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922452164 643996830 /nfs/dbraw/zinc/99/68/30/643996830.db2.gz MEMZVSVVEAZANA-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CCCS2)c[nH+]1 ZINC000922502662 644005329 /nfs/dbraw/zinc/00/53/29/644005329.db2.gz OABLHICVTYEVFC-SECBINFHSA-N 1 2 238.312 1.603 20 0 BDADLO Nc1ccc(COC(=O)C2CC(F)(F)C2)c[nH+]1 ZINC000922518817 644010855 /nfs/dbraw/zinc/01/08/55/644010855.db2.gz QOUFNIGBJWQLRL-UHFFFAOYSA-N 1 2 242.225 1.752 20 0 BDADLO CC(C)[C@H](O)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922550554 644018132 /nfs/dbraw/zinc/01/81/32/644018132.db2.gz SYIVORXBSRULDN-SNVBAGLBSA-N 1 2 238.287 1.114 20 0 BDADLO C[C@]1(C(=O)OCc2ccc(N)[nH+]c2)CCOC1 ZINC000922607126 644041394 /nfs/dbraw/zinc/04/13/94/644041394.db2.gz MCMFMWMLTASCAZ-LBPRGKRZSA-N 1 2 236.271 1.134 20 0 BDADLO CCn1nccc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922623973 644042423 /nfs/dbraw/zinc/04/24/23/644042423.db2.gz MFNXJTWUSMDCDH-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1N)c1cn(C)nn1 ZINC000922634562 644048160 /nfs/dbraw/zinc/04/81/60/644048160.db2.gz IUPKDTYJKDRIPR-QMMMGPOBSA-N 1 2 249.293 1.387 20 0 BDADLO CCn1ncc(C[NH2+]C(C)(C)/C=C\Cl)n1 ZINC000922643716 644049640 /nfs/dbraw/zinc/04/96/40/644049640.db2.gz AWWXLFGLAPSPAF-WAYWQWQTSA-N 1 2 228.727 1.919 20 0 BDADLO CCn1ncnc1C[NH2+]C(C)(C)/C=C/Cl ZINC000922644930 644051873 /nfs/dbraw/zinc/05/18/73/644051873.db2.gz LXNSNAQCXBBDAG-AATRIKPKSA-N 1 2 228.727 1.919 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)OCc2ccc[nH+]c2N)O1 ZINC000922784571 644095704 /nfs/dbraw/zinc/09/57/04/644095704.db2.gz LOJIGOUUKAXCFX-PSASIEDQSA-N 1 2 236.271 1.275 20 0 BDADLO COC1CC(C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922882389 644125648 /nfs/dbraw/zinc/12/56/48/644125648.db2.gz QOSLDYOYXCHAOA-UHFFFAOYSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1csc([C@H](C)[NH2+]CCS(C)(=O)=O)n1 ZINC000080310842 644247283 /nfs/dbraw/zinc/24/72/83/644247283.db2.gz PPAJQONAOIPIAP-QMMMGPOBSA-N 1 2 248.373 1.147 20 0 BDADLO CC[NH+]1CCN(C(=O)c2cc(C)co2)CC1 ZINC000082312484 644368401 /nfs/dbraw/zinc/36/84/01/644368401.db2.gz TTXQYMCGEILJFY-UHFFFAOYSA-N 1 2 222.288 1.366 20 0 BDADLO CCc1cnccc1C(=O)OCc1c[nH+]cn1C ZINC000755705907 644619285 /nfs/dbraw/zinc/61/92/85/644619285.db2.gz WKFLJFJVTLKTKM-UHFFFAOYSA-N 1 2 245.282 1.735 20 0 BDADLO CCOCC[N@H+](C)Cn1cc(Cl)cn1 ZINC000092885527 644669974 /nfs/dbraw/zinc/66/99/74/644669974.db2.gz OIJHXYPPPIRQQZ-UHFFFAOYSA-N 1 2 217.700 1.462 20 0 BDADLO CCOCC[N@@H+](C)Cn1cc(Cl)cn1 ZINC000092885527 644669977 /nfs/dbraw/zinc/66/99/77/644669977.db2.gz OIJHXYPPPIRQQZ-UHFFFAOYSA-N 1 2 217.700 1.462 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000250660602 644775256 /nfs/dbraw/zinc/77/52/56/644775256.db2.gz FAVIQRPEJBLVDB-HRDYMLBCSA-N 1 2 217.334 1.422 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CC12CCC2 ZINC000793240810 644802137 /nfs/dbraw/zinc/80/21/37/644802137.db2.gz GXEHOBXKDIWETH-LLVKDONJSA-N 1 2 234.299 1.696 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)C[C@@H](C2CC2)O1 ZINC000794654815 644804259 /nfs/dbraw/zinc/80/42/59/644804259.db2.gz QIVDWKHNDBOEIM-PWSUYJOCSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)C[C@@H](C2CC2)O1 ZINC000794654815 644804263 /nfs/dbraw/zinc/80/42/63/644804263.db2.gz QIVDWKHNDBOEIM-PWSUYJOCSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@H]1C[N@H+](CN2CCCC2=O)C[C@@H](C2CC2)O1 ZINC000794654814 644804672 /nfs/dbraw/zinc/80/46/72/644804672.db2.gz QIVDWKHNDBOEIM-JQWIXIFHSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCCC2=O)C[C@@H](C2CC2)O1 ZINC000794654814 644804678 /nfs/dbraw/zinc/80/46/78/644804678.db2.gz QIVDWKHNDBOEIM-JQWIXIFHSA-N 1 2 238.331 1.066 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000411540872 644805110 /nfs/dbraw/zinc/80/51/10/644805110.db2.gz VRXWAKCPVAFNAN-GMTAPVOTSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000251926379 644830865 /nfs/dbraw/zinc/83/08/65/644830865.db2.gz QRVYUINBVZCSQM-QJPTWQEYSA-N 1 2 245.363 1.835 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303799128 644847400 /nfs/dbraw/zinc/84/74/00/644847400.db2.gz ZGUQUBSMVIBRKR-LLVKDONJSA-N 1 2 243.347 1.423 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303799128 644847404 /nfs/dbraw/zinc/84/74/04/644847404.db2.gz ZGUQUBSMVIBRKR-LLVKDONJSA-N 1 2 243.347 1.423 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C(F)=C1CCC1 ZINC000819102963 645005704 /nfs/dbraw/zinc/00/57/04/645005704.db2.gz SSBQJFRTSVPNIV-UHFFFAOYSA-N 1 2 223.251 1.407 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000834408098 645141799 /nfs/dbraw/zinc/14/17/99/645141799.db2.gz WZHQGVUTEQWSGK-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO COc1cccnc1C[NH2+][C@H](C)c1ccnnc1 ZINC000926552151 645274229 /nfs/dbraw/zinc/27/42/29/645274229.db2.gz VCDNTUROQZPPPW-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO FCC[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000844382360 645323516 /nfs/dbraw/zinc/32/35/16/645323516.db2.gz UCEXQRMQPZAPCC-UHFFFAOYSA-N 1 2 224.283 1.016 20 0 BDADLO FCC[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000844382360 645323519 /nfs/dbraw/zinc/32/35/19/645323519.db2.gz UCEXQRMQPZAPCC-UHFFFAOYSA-N 1 2 224.283 1.016 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ncco1 ZINC000926757583 645405947 /nfs/dbraw/zinc/40/59/47/645405947.db2.gz GYEIZYCQXVEQCB-KKZNHRDASA-N 1 2 210.277 1.893 20 0 BDADLO C[C@@H]([NH2+]CC(C)(C)F)c1cnn(C)n1 ZINC000926780155 645427484 /nfs/dbraw/zinc/42/74/84/645427484.db2.gz LXXFVCLARAHRMZ-SSDOTTSWSA-N 1 2 200.261 1.214 20 0 BDADLO CC(C)n1cc([C@@H](C)NC[C@@H]2CC[N@@H+]2C)nn1 ZINC000926895189 645480931 /nfs/dbraw/zinc/48/09/31/645480931.db2.gz UHASQRDCIYSNMA-MNOVXSKESA-N 1 2 237.351 1.214 20 0 BDADLO CC(C)n1cc([C@@H](C)NC[C@@H]2CC[N@H+]2C)nn1 ZINC000926895189 645480940 /nfs/dbraw/zinc/48/09/40/645480940.db2.gz UHASQRDCIYSNMA-MNOVXSKESA-N 1 2 237.351 1.214 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1n[nH]cc1C1CC1 ZINC000855006677 645518069 /nfs/dbraw/zinc/51/80/69/645518069.db2.gz PXILTQQXVLZEIZ-UHFFFAOYSA-N 1 2 231.259 1.191 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CN1CCC1=O)CC2 ZINC000857237150 645542302 /nfs/dbraw/zinc/54/23/02/645542302.db2.gz PAAPBLSEJUZENN-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CN1CCC1=O)CC2 ZINC000857237150 645542308 /nfs/dbraw/zinc/54/23/08/645542308.db2.gz PAAPBLSEJUZENN-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927450989 645617223 /nfs/dbraw/zinc/61/72/23/645617223.db2.gz WGVAWKWXZRMVPI-GXTWGEPZSA-N 1 2 247.342 1.970 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777184 645653982 /nfs/dbraw/zinc/65/39/82/645653982.db2.gz RGTVOBRKJNLYFD-NXEZZACHSA-N 1 2 235.331 1.962 20 0 BDADLO CCC1(C(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000927777516 645655095 /nfs/dbraw/zinc/65/50/95/645655095.db2.gz VHWMSAZHNGUARK-UHFFFAOYSA-N 1 2 233.315 1.860 20 0 BDADLO C/C(=C/C(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000927776849 645656097 /nfs/dbraw/zinc/65/60/97/645656097.db2.gz OBLLIODJONQYQU-TWGQIWQCSA-N 1 2 231.299 1.636 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000928038850 645683186 /nfs/dbraw/zinc/68/31/86/645683186.db2.gz HPINUHOUSSLZQP-WISYIIOYSA-N 1 2 245.326 1.654 20 0 BDADLO COC[C@@]1(C)C[N@H+](C/C=C/Cl)CCO1 ZINC000860200247 645686844 /nfs/dbraw/zinc/68/68/44/645686844.db2.gz QVYPHLZHOMVUSS-HMDXOVGESA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@@]1(C)C[N@@H+](C/C=C/Cl)CCO1 ZINC000860200247 645686849 /nfs/dbraw/zinc/68/68/49/645686849.db2.gz QVYPHLZHOMVUSS-HMDXOVGESA-N 1 2 219.712 1.476 20 0 BDADLO CCn1ncc(C[NH2+]CC(C)(C)F)n1 ZINC000865652451 645720904 /nfs/dbraw/zinc/72/09/04/645720904.db2.gz CBEYJAWWTCQPLJ-UHFFFAOYSA-N 1 2 200.261 1.136 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000928436259 645755460 /nfs/dbraw/zinc/75/54/60/645755460.db2.gz BIKYAQQVPKSVIJ-VQVTYTSYSA-N 1 2 242.216 1.096 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000928436259 645755465 /nfs/dbraw/zinc/75/54/65/645755465.db2.gz BIKYAQQVPKSVIJ-VQVTYTSYSA-N 1 2 242.216 1.096 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1CCC1 ZINC000928636575 645853471 /nfs/dbraw/zinc/85/34/71/645853471.db2.gz RSKOHVGSLNVFHT-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCn2cccc2C1 ZINC000928961483 645917192 /nfs/dbraw/zinc/91/71/92/645917192.db2.gz KJJRTFRVMTTYKF-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCn2cccc2C1 ZINC000928961483 645917204 /nfs/dbraw/zinc/91/72/04/645917204.db2.gz KJJRTFRVMTTYKF-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO C[C@H](c1nc([C@@H]2CCOC[C@@H]2C)no1)[NH+](C)C ZINC000924054885 645973504 /nfs/dbraw/zinc/97/35/04/645973504.db2.gz XNDWJOBFEUGBLX-IVZWLZJFSA-N 1 2 239.319 1.832 20 0 BDADLO C[C@H](c1ccc(F)nc1)[N@H+](C)CC(=O)N(C)C ZINC000929225285 646022716 /nfs/dbraw/zinc/02/27/16/646022716.db2.gz JCDUPDUYQUNLGM-SECBINFHSA-N 1 2 239.294 1.302 20 0 BDADLO C[C@H](c1ccc(F)nc1)[N@@H+](C)CC(=O)N(C)C ZINC000929225285 646022722 /nfs/dbraw/zinc/02/27/22/646022722.db2.gz JCDUPDUYQUNLGM-SECBINFHSA-N 1 2 239.294 1.302 20 0 BDADLO c1nnc(C[N@@H+](C[C@H]2CCOC2)C2CC2)s1 ZINC000929266605 646048071 /nfs/dbraw/zinc/04/80/71/646048071.db2.gz OSORXLOVNJOEQN-SECBINFHSA-N 1 2 239.344 1.539 20 0 BDADLO c1nnc(C[N@H+](C[C@H]2CCOC2)C2CC2)s1 ZINC000929266605 646048075 /nfs/dbraw/zinc/04/80/75/646048075.db2.gz OSORXLOVNJOEQN-SECBINFHSA-N 1 2 239.344 1.539 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC000929298318 646070697 /nfs/dbraw/zinc/07/06/97/646070697.db2.gz YEXJXJUIKJFJDC-VIFPVBQESA-N 1 2 239.294 1.350 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC000929298318 646070701 /nfs/dbraw/zinc/07/07/01/646070701.db2.gz YEXJXJUIKJFJDC-VIFPVBQESA-N 1 2 239.294 1.350 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000924607162 646077579 /nfs/dbraw/zinc/07/75/79/646077579.db2.gz ISMGZKNPDMKJSC-WCBMZHEXSA-N 1 2 221.304 1.565 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(C)cc(C)n1 ZINC000929320862 646079090 /nfs/dbraw/zinc/07/90/90/646079090.db2.gz CRSOUHMVMFGGBK-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)cc(C)n1 ZINC000929320862 646079095 /nfs/dbraw/zinc/07/90/95/646079095.db2.gz CRSOUHMVMFGGBK-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2nonc2C)ccn1 ZINC000924626905 646082248 /nfs/dbraw/zinc/08/22/48/646082248.db2.gz BKOUVKPYMPNAGR-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc2c1OCO2 ZINC000924994272 646153103 /nfs/dbraw/zinc/15/31/03/646153103.db2.gz UIWYNMFVJVATKZ-SECBINFHSA-N 1 2 245.282 1.989 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccns1 ZINC000925235487 646216318 /nfs/dbraw/zinc/21/63/18/646216318.db2.gz HGOXBNCSSGESLM-BDAKNGLRSA-N 1 2 249.343 1.920 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cnn(C)n1 ZINC000925245278 646218761 /nfs/dbraw/zinc/21/87/61/646218761.db2.gz PJMVUSQFZWWYNY-OUAUKWLOSA-N 1 2 249.362 1.091 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ncco1 ZINC000925278700 646229962 /nfs/dbraw/zinc/22/99/62/646229962.db2.gz ZVHJOADSULFMDP-DTWKUNHWSA-N 1 2 246.332 1.148 20 0 BDADLO CC[C@H](CO)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000929695285 646250357 /nfs/dbraw/zinc/25/03/57/646250357.db2.gz YIYQSGXPNLXGCU-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](CO)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000929695285 646250358 /nfs/dbraw/zinc/25/03/58/646250358.db2.gz YIYQSGXPNLXGCU-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2c[nH]nc2C)n1 ZINC000925461814 646288154 /nfs/dbraw/zinc/28/81/54/646288154.db2.gz FFOUROIZNJYBJV-SECBINFHSA-N 1 2 248.334 1.489 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)s1 ZINC000929784814 646312578 /nfs/dbraw/zinc/31/25/78/646312578.db2.gz DQZKETSHEDLHGU-SFYZADRCSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@@H](C)[C@@H]2C)s1 ZINC000929784814 646312581 /nfs/dbraw/zinc/31/25/81/646312581.db2.gz DQZKETSHEDLHGU-SFYZADRCSA-N 1 2 227.333 1.777 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cnnn1C ZINC000925552197 646329856 /nfs/dbraw/zinc/32/98/56/646329856.db2.gz WASIZWCWAOOTNK-SCZZXKLOSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cnnn1C ZINC000925552197 646329859 /nfs/dbraw/zinc/32/98/59/646329859.db2.gz WASIZWCWAOOTNK-SCZZXKLOSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ncco1 ZINC000925570640 646339202 /nfs/dbraw/zinc/33/92/02/646339202.db2.gz KZAXWCYBIBNWPO-DCAQKATOSA-N 1 2 239.319 1.044 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1F)c1cnnn1C ZINC000925597052 646350859 /nfs/dbraw/zinc/35/08/59/646350859.db2.gz GAMQVFXPNDJSHT-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000929840741 646353486 /nfs/dbraw/zinc/35/34/86/646353486.db2.gz FUECYMVIBBZDJM-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000929840741 646353489 /nfs/dbraw/zinc/35/34/89/646353489.db2.gz FUECYMVIBBZDJM-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO O[C@@H](CC[C@H](O)c1ccccc1)Cn1cc[nH+]c1 ZINC000929866364 646366281 /nfs/dbraw/zinc/36/62/81/646366281.db2.gz XZNGJLWBAOYKIW-KBPBESRZSA-N 1 2 246.310 1.758 20 0 BDADLO COC/C(C)=C\C[NH2+]C1(C(=O)OC)CCCC1 ZINC000930101588 646437445 /nfs/dbraw/zinc/43/74/45/646437445.db2.gz JHEBVZKEWRSDSR-WDZFZDKYSA-N 1 2 241.331 1.655 20 0 BDADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000926006151 646555222 /nfs/dbraw/zinc/55/52/22/646555222.db2.gz AUGWTPNYJTXUCF-BDAKNGLRSA-N 1 2 239.319 1.492 20 0 BDADLO C[C@@H]([NH2+]CCF)c1cn2c(n1)CCCC2 ZINC000926347598 646622200 /nfs/dbraw/zinc/62/22/00/646622200.db2.gz GHDUVMIAUKOLJQ-SECBINFHSA-N 1 2 211.284 1.840 20 0 BDADLO CC(C)n1nccc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724740895 711610016 /nfs/dbraw/zinc/61/00/16/711610016.db2.gz RHRKTMVVCXNJBT-SSDOTTSWSA-N 1 2 246.261 1.385 20 0 BDADLO CC(C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724726632 711610122 /nfs/dbraw/zinc/61/01/22/711610122.db2.gz FFPMCAIPDBNSSR-ZETCQYMHSA-N 1 2 208.252 1.131 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000724772891 711612069 /nfs/dbraw/zinc/61/20/69/711612069.db2.gz TXJJWHNZVZWXDY-VIFPVBQESA-N 1 2 228.242 1.916 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc(C)co2)C[C@@H](C)O1 ZINC000894531911 711771585 /nfs/dbraw/zinc/77/15/85/711771585.db2.gz BGKYHTXALWVGBJ-DGCLKSJQSA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc(C)co2)C[C@@H](C)O1 ZINC000894531911 711771586 /nfs/dbraw/zinc/77/15/86/711771586.db2.gz BGKYHTXALWVGBJ-DGCLKSJQSA-N 1 2 239.315 1.824 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCC[S@@](C)=O ZINC000160550844 711808524 /nfs/dbraw/zinc/80/85/24/711808524.db2.gz YGHBVETZXWIABB-INIZCTEOSA-N 1 2 237.328 1.364 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229572545 711838274 /nfs/dbraw/zinc/83/82/74/711838274.db2.gz SXZOQCPYVYQXOP-QWRGUYRKSA-N 1 2 229.320 1.032 20 0 BDADLO CCCCOCc1nc(C[NH2+]CC)no1 ZINC000381480611 711912083 /nfs/dbraw/zinc/91/20/83/711912083.db2.gz CVPCHHPDFDUWOU-UHFFFAOYSA-N 1 2 213.281 1.496 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC[C@]1(C)CC ZINC000707346134 712168520 /nfs/dbraw/zinc/16/85/20/712168520.db2.gz YJTAQCVVEMWEGX-FWWRYZNZSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC[C@]1(C)CC ZINC000707346134 712168521 /nfs/dbraw/zinc/16/85/21/712168521.db2.gz YJTAQCVVEMWEGX-FWWRYZNZSA-N 1 2 241.331 1.607 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H](CF)C2)c1 ZINC000711503945 712307279 /nfs/dbraw/zinc/30/72/79/712307279.db2.gz HQSIMRRYEQEDTL-JTQLQIEISA-N 1 2 210.252 1.370 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715385022 712522342 /nfs/dbraw/zinc/52/23/42/712522342.db2.gz HNIKVZFZOYRSGQ-XHNCKOQMSA-N 1 2 247.285 1.914 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715385022 712522343 /nfs/dbraw/zinc/52/23/43/712522343.db2.gz HNIKVZFZOYRSGQ-XHNCKOQMSA-N 1 2 247.285 1.914 20 0 BDADLO CC(C)n1ccnc1C[NH2+]CC1OCCCO1 ZINC000716357678 712556055 /nfs/dbraw/zinc/55/60/55/712556055.db2.gz JCGOLETVDULKBC-UHFFFAOYSA-N 1 2 239.319 1.317 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)c1ccccc1F ZINC000145562984 710603514 /nfs/dbraw/zinc/60/35/14/710603514.db2.gz CQEMWNPXZDTOOF-NSHDSACASA-N 1 2 206.220 1.756 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000381365387 710628346 /nfs/dbraw/zinc/62/83/46/710628346.db2.gz GSFHXHCKWRTWGG-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](CO)C2CC2)no1 ZINC000381440775 710636375 /nfs/dbraw/zinc/63/63/75/710636375.db2.gz DXMLRBFYIHYUAN-SECBINFHSA-N 1 2 225.292 1.054 20 0 BDADLO CC(C)C1(O)C[NH+](C[C@](C)(O)C(F)(F)F)C1 ZINC000381456828 710638239 /nfs/dbraw/zinc/63/82/39/710638239.db2.gz IQEQXIFSQPAJLS-QMMMGPOBSA-N 1 2 241.253 1.002 20 0 BDADLO CC(C)(CNc1nccs1)[NH+]1CCOCC1 ZINC000381462905 710640214 /nfs/dbraw/zinc/64/02/14/710640214.db2.gz KEOABWJWBYWUAN-UHFFFAOYSA-N 1 2 241.360 1.666 20 0 BDADLO CSC1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000381600854 710659616 /nfs/dbraw/zinc/65/96/16/710659616.db2.gz GYWSCCOMURFBBB-UHFFFAOYSA-N 1 2 238.312 1.433 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC12CCC2 ZINC000721234859 712899869 /nfs/dbraw/zinc/89/98/69/712899869.db2.gz NIINOSTVIPKNRM-SECBINFHSA-N 1 2 229.287 1.718 20 0 BDADLO COCC[NH+]1CC(N(C)C(=O)c2ccccc2)C1 ZINC001042420365 710782180 /nfs/dbraw/zinc/78/21/80/710782180.db2.gz HHQNUGRWRDRHTH-UHFFFAOYSA-N 1 2 248.326 1.089 20 0 BDADLO CN(C(=O)c1ccoc1)C1C[NH+](CCCF)C1 ZINC001042478663 710785423 /nfs/dbraw/zinc/78/54/23/710785423.db2.gz UFCRJEHQWOGHSQ-UHFFFAOYSA-N 1 2 240.278 1.395 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)c2cc(C)no2)C1 ZINC001042470501 710786283 /nfs/dbraw/zinc/78/62/83/710786283.db2.gz IEPMTJBIIIBGQT-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001042479220 710786428 /nfs/dbraw/zinc/78/64/28/710786428.db2.gz MSIYRBRSOYVQEY-UHFFFAOYSA-N 1 2 242.706 1.709 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cncc(C)c2)C1 ZINC001042569296 710792609 /nfs/dbraw/zinc/79/26/09/710792609.db2.gz AEGFMNXITRMAAK-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO CC(C)[NH+]1CC(N(C)C(=O)c2ccns2)C1 ZINC001042821710 710800162 /nfs/dbraw/zinc/80/01/62/710800162.db2.gz AHMKSIWXNDOOMT-UHFFFAOYSA-N 1 2 239.344 1.308 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2onc(C)c2C)C1 ZINC001043029871 710801921 /nfs/dbraw/zinc/80/19/21/710801921.db2.gz VMAHXNHGBVZYAP-UHFFFAOYSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@]1(NC(=O)c2ccco2)CC[N@H+](CCF)C1 ZINC001046104447 710850874 /nfs/dbraw/zinc/85/08/74/710850874.db2.gz CFQVAJUKJRNJET-GFCCVEGCSA-N 1 2 240.278 1.443 20 0 BDADLO C[C@@]1(NC(=O)c2ccco2)CC[N@@H+](CCF)C1 ZINC001046104447 710850879 /nfs/dbraw/zinc/85/08/79/710850879.db2.gz CFQVAJUKJRNJET-GFCCVEGCSA-N 1 2 240.278 1.443 20 0 BDADLO C[C@]1(NC(=O)c2ccco2)CC[N@H+](CCF)C1 ZINC001046104449 710851101 /nfs/dbraw/zinc/85/11/01/710851101.db2.gz CFQVAJUKJRNJET-LBPRGKRZSA-N 1 2 240.278 1.443 20 0 BDADLO C[C@]1(NC(=O)c2ccco2)CC[N@@H+](CCF)C1 ZINC001046104449 710851108 /nfs/dbraw/zinc/85/11/08/710851108.db2.gz CFQVAJUKJRNJET-LBPRGKRZSA-N 1 2 240.278 1.443 20 0 BDADLO CCCC(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001053126291 710919521 /nfs/dbraw/zinc/91/95/21/710919521.db2.gz OSFNBCRRDCARMI-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CCCC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053126615 710920115 /nfs/dbraw/zinc/92/01/15/710920115.db2.gz WLLUPTHFCPRXKC-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC001050795590 710956581 /nfs/dbraw/zinc/95/65/81/710956581.db2.gz RFUUFTOCXFUQEA-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC001050795590 710956587 /nfs/dbraw/zinc/95/65/87/710956587.db2.gz RFUUFTOCXFUQEA-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCC(C)(C)SC ZINC000385228239 711008714 /nfs/dbraw/zinc/00/87/14/711008714.db2.gz NCFDYFWGWJVAQV-QMMMGPOBSA-N 1 2 219.350 1.669 20 0 BDADLO N#Cc1csc(C[NH2+]Cc2ccncc2)n1 ZINC000390754648 711132245 /nfs/dbraw/zinc/13/22/45/711132245.db2.gz GJBBRAHUBMFRCP-UHFFFAOYSA-N 1 2 230.296 1.700 20 0 BDADLO CCc1nnc(C[NH2+]C/C=C\Cl)s1 ZINC000391923184 711141130 /nfs/dbraw/zinc/14/11/30/711141130.db2.gz FCQMUMIHLMDMIG-ARJAWSKDSA-N 1 2 217.725 1.943 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cccnc2C)s1 ZINC000391968323 711142212 /nfs/dbraw/zinc/14/22/12/711142212.db2.gz UITVGMYVNWGPDS-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001067008456 710599038 /nfs/dbraw/zinc/59/90/38/710599038.db2.gz KFQRVYSPEBMYJQ-KOLCDFICSA-N 1 2 248.330 1.454 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccccc2O)C1 ZINC001042491447 710787356 /nfs/dbraw/zinc/78/73/56/710787356.db2.gz XQLHNDJRVWPYAB-UHFFFAOYSA-N 1 2 234.299 1.168 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C(C)(C)O ZINC000393988560 710837396 /nfs/dbraw/zinc/83/73/96/710837396.db2.gz MDHUBGJSPUSJFA-UWVGGRQHSA-N 1 2 245.363 1.856 20 0 BDADLO CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccon2)C1 ZINC001071284413 710841548 /nfs/dbraw/zinc/84/15/48/710841548.db2.gz CBVCMXHHVOPNJS-KOLCDFICSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccon2)C1 ZINC001071284413 710841550 /nfs/dbraw/zinc/84/15/50/710841550.db2.gz CBVCMXHHVOPNJS-KOLCDFICSA-N 1 2 237.303 1.164 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000396968044 711374450 /nfs/dbraw/zinc/37/44/50/711374450.db2.gz KDOHYAUUFHUQMO-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO CNc1cc(N[C@H]2CSC[C@H]2C)nc[nH+]1 ZINC000397893717 711395247 /nfs/dbraw/zinc/39/52/47/711395247.db2.gz RBNNRGBAACCCJG-SFYZADRCSA-N 1 2 224.333 1.682 20 0 BDADLO CNc1cc(N[C@H]2CSC[C@H]2C)[nH+]cn1 ZINC000397893717 711395250 /nfs/dbraw/zinc/39/52/50/711395250.db2.gz RBNNRGBAACCCJG-SFYZADRCSA-N 1 2 224.333 1.682 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccncc1 ZINC000309305970 711673619 /nfs/dbraw/zinc/67/36/19/711673619.db2.gz ZQQABZZIRUWZJV-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO CC[C@H](C)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000192103040 711708016 /nfs/dbraw/zinc/70/80/16/711708016.db2.gz LWVJGYRQNPLWOD-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N1CC[C@H]1C(F)F ZINC000931423114 711711956 /nfs/dbraw/zinc/71/19/56/711711956.db2.gz BDQNETVPAHFFLR-ZJUUUORDSA-N 1 2 234.290 1.047 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+]CC1=CCCOC1)CCC2 ZINC000334336874 711715282 /nfs/dbraw/zinc/71/52/82/711715282.db2.gz UFNBVMMDXJSTPW-GFCCVEGCSA-N 1 2 233.315 1.723 20 0 BDADLO CCn1ncnc1C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461623 711719036 /nfs/dbraw/zinc/71/90/36/711719036.db2.gz WJTHGCFPCNWQQB-VIFPVBQESA-N 1 2 246.318 1.140 20 0 BDADLO CCn1ncnc1C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461623 711719038 /nfs/dbraw/zinc/71/90/38/711719038.db2.gz WJTHGCFPCNWQQB-VIFPVBQESA-N 1 2 246.318 1.140 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC000724753742 711740520 /nfs/dbraw/zinc/74/05/20/711740520.db2.gz YGNQVDOVBLPAFC-VGMNWLOBSA-N 1 2 234.290 1.664 20 0 BDADLO FC(F)(F)[C@@H]1CC[C@@H](Cn2cc[nH+]c2)O1 ZINC000721400266 711753668 /nfs/dbraw/zinc/75/36/68/711753668.db2.gz XCNGTZZNGDDLRI-YUMQZZPRSA-N 1 2 220.194 1.993 20 0 BDADLO CNc1cc(NC2CCC3(COC3)CC2)[nH+]cn1 ZINC000895168823 711778670 /nfs/dbraw/zinc/77/86/70/711778670.db2.gz RXYMYEFWSYNPHR-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO CC(C)OC[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000895723728 711781160 /nfs/dbraw/zinc/78/11/60/711781160.db2.gz BNHVQVBGKBIMJY-ZETCQYMHSA-N 1 2 249.261 1.910 20 0 BDADLO C[C@H](CC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000909557064 711783480 /nfs/dbraw/zinc/78/34/80/711783480.db2.gz DBSVASJEUOGBFL-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)(O)[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000721861207 711791897 /nfs/dbraw/zinc/79/18/97/711791897.db2.gz GQEMQIAOLCKZJM-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO CC(C)(O)[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000721861207 711791898 /nfs/dbraw/zinc/79/18/98/711791898.db2.gz GQEMQIAOLCKZJM-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC2(CC2)C1 ZINC000907457563 711815610 /nfs/dbraw/zinc/81/56/10/711815610.db2.gz VLQFOWMVROIPIC-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2csc(C)c2)C1 ZINC001042393616 711818663 /nfs/dbraw/zinc/81/86/63/711818663.db2.gz RWSIKKWXPMABNT-UHFFFAOYSA-N 1 2 238.356 1.719 20 0 BDADLO CC[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030422709 711832862 /nfs/dbraw/zinc/83/28/62/711832862.db2.gz GFAFKWHXYMJFAE-RYUDHWBXSA-N 1 2 240.347 1.012 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229572545 711838273 /nfs/dbraw/zinc/83/82/73/711838273.db2.gz SXZOQCPYVYQXOP-QWRGUYRKSA-N 1 2 229.320 1.032 20 0 BDADLO CC[NH+]1CC(NC(=O)c2occc2C(C)C)C1 ZINC001030833277 711844184 /nfs/dbraw/zinc/84/41/84/711844184.db2.gz QSCNHIXBENNLNV-UHFFFAOYSA-N 1 2 236.315 1.837 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C)o2)C1 ZINC001046086705 711844890 /nfs/dbraw/zinc/84/48/90/711844890.db2.gz KNZZKEONPCCCIC-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001046086705 711844892 /nfs/dbraw/zinc/84/48/92/711844892.db2.gz KNZZKEONPCCCIC-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CC(F)(F)C1 ZINC000355249906 711913784 /nfs/dbraw/zinc/91/37/84/711913784.db2.gz BTFJILJPWXGTLH-UHFFFAOYSA-N 1 2 229.230 1.082 20 0 BDADLO C[C@@H](CCO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494597 711935335 /nfs/dbraw/zinc/93/53/35/711935335.db2.gz XRIWNDQTMHPVHK-UWVGGRQHSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H](O)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494522 711935517 /nfs/dbraw/zinc/93/55/17/711935517.db2.gz ONZIOYVFRDCMCP-BDAKNGLRSA-N 1 2 217.309 1.077 20 0 BDADLO C[C@@H]([NH2+]CC(C)(C)O)C(=O)OC(C)(C)C ZINC000085494549 711935520 /nfs/dbraw/zinc/93/55/20/711935520.db2.gz CESFNXJXPCDHBM-MRVPVSSYSA-N 1 2 217.309 1.077 20 0 BDADLO Cc1cnc(C[NH2+]C2CC(F)(F)C2)o1 ZINC000700398937 711991112 /nfs/dbraw/zinc/99/11/12/711991112.db2.gz JCXPXGNPVPBJJY-UHFFFAOYSA-N 1 2 202.204 1.870 20 0 BDADLO CC(=O)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000700402473 711992535 /nfs/dbraw/zinc/99/25/35/711992535.db2.gz LJXLJZDSPSGIDH-UHFFFAOYSA-N 1 2 222.288 1.784 20 0 BDADLO CCC(F)(F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000701197312 712017654 /nfs/dbraw/zinc/01/76/54/712017654.db2.gz DRFGMWOLQIRRIM-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO C/C=C/C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000701216948 712018393 /nfs/dbraw/zinc/01/83/93/712018393.db2.gz FAASSYPFUMGBCF-SNAWJCMRSA-N 1 2 207.277 1.311 20 0 BDADLO CC(=O)CCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000701424716 712022622 /nfs/dbraw/zinc/02/26/22/712022622.db2.gz QXKNEIOLDVPQGN-UHFFFAOYSA-N 1 2 237.303 1.104 20 0 BDADLO OCC[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1 ZINC000702209542 712040260 /nfs/dbraw/zinc/04/02/60/712040260.db2.gz DLWGITGDFHOUAP-ZDUSSCGKSA-N 1 2 239.290 1.409 20 0 BDADLO OCC[C@H]1COCC[N@H+]1Cc1ccc(F)cc1 ZINC000702209542 712040261 /nfs/dbraw/zinc/04/02/61/712040261.db2.gz DLWGITGDFHOUAP-ZDUSSCGKSA-N 1 2 239.290 1.409 20 0 BDADLO CC[NH2+]Cc1noc(C2CC(OC)C2)n1 ZINC000703466370 712075990 /nfs/dbraw/zinc/07/59/90/712075990.db2.gz BUZDZFYKRITLHT-UHFFFAOYSA-N 1 2 211.265 1.072 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1c[nH]cn1)c1cnn(C)c1 ZINC000922896240 712087703 /nfs/dbraw/zinc/08/77/03/712087703.db2.gz WVVKZNYWOUMNAR-LBPRGKRZSA-N 1 2 233.319 1.630 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N)nn1 ZINC000703962251 712096548 /nfs/dbraw/zinc/09/65/48/712096548.db2.gz IPYPPSCJHDORFJ-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N)nn1 ZINC000703962251 712096550 /nfs/dbraw/zinc/09/65/50/712096550.db2.gz IPYPPSCJHDORFJ-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO O=C(c1ccc(F)nc1)N1CC(n2cc[nH+]c2)C1 ZINC000706954093 712162825 /nfs/dbraw/zinc/16/28/25/712162825.db2.gz AVRARLMUCYQIPH-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO CNc1cc(N2CCC[C@H]2C(C)(C)O)nc[nH+]1 ZINC000707386151 712170291 /nfs/dbraw/zinc/17/02/91/712170291.db2.gz IBQSUVDGXJBVIK-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N2CCC[C@H]2C(C)(C)O)[nH+]cn1 ZINC000707386151 712170292 /nfs/dbraw/zinc/17/02/92/712170292.db2.gz IBQSUVDGXJBVIK-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCOCC12CCC2 ZINC000707476960 712171058 /nfs/dbraw/zinc/17/10/58/712171058.db2.gz OIJAFRGHFCZROA-NYYWCZLTSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCOCC12CCC2 ZINC000707476960 712171059 /nfs/dbraw/zinc/17/10/59/712171059.db2.gz OIJAFRGHFCZROA-NYYWCZLTSA-N 1 2 239.315 1.361 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@H](C)C2)[nH]c1C ZINC000709072430 712207772 /nfs/dbraw/zinc/20/77/72/712207772.db2.gz ZJZDOVAMOBIYAR-VIFPVBQESA-N 1 2 223.320 1.495 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@H](C)C2)[nH]c1C ZINC000709072430 712207774 /nfs/dbraw/zinc/20/77/74/712207774.db2.gz ZJZDOVAMOBIYAR-VIFPVBQESA-N 1 2 223.320 1.495 20 0 BDADLO Cc1cccc(C[NH2+][C@@H](C)c2cn(C)cn2)n1 ZINC000710014654 712240659 /nfs/dbraw/zinc/24/06/59/712240659.db2.gz RCVSXQACSLKBDX-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cn(C)cn1 ZINC000710068324 712244113 /nfs/dbraw/zinc/24/41/13/712244113.db2.gz NOAALOQJNQBPLE-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000710181959 712246886 /nfs/dbraw/zinc/24/68/86/712246886.db2.gz HLLYEBDHUVUFOL-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+]Cc1cscn1 ZINC000710910458 712262702 /nfs/dbraw/zinc/26/27/02/712262702.db2.gz OLTUOUPRSZBNMO-SECBINFHSA-N 1 2 228.317 1.384 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000379090856 712369768 /nfs/dbraw/zinc/36/97/68/712369768.db2.gz ICNXAVYODZTDBA-UHFFFAOYSA-N 1 2 243.310 1.602 20 0 BDADLO C[C@H](NC[C@@H]1CC[N@@H+]1C)c1cscn1 ZINC000712602869 712436858 /nfs/dbraw/zinc/43/68/58/712436858.db2.gz XQQRNJBQLRAKKZ-IUCAKERBSA-N 1 2 211.334 1.498 20 0 BDADLO C[C@H](NC[C@@H]1CC[N@H+]1C)c1cscn1 ZINC000712602869 712436860 /nfs/dbraw/zinc/43/68/60/712436860.db2.gz XQQRNJBQLRAKKZ-IUCAKERBSA-N 1 2 211.334 1.498 20 0 BDADLO CC(C)C1(O)C[NH+](CCCOC(F)(F)F)C1 ZINC000713427089 712459878 /nfs/dbraw/zinc/45/98/78/712459878.db2.gz MYYVMJKXNBGEJW-UHFFFAOYSA-N 1 2 241.253 1.616 20 0 BDADLO CCOC(=O)C[NH2+]C1(CO)CCCCCCC1 ZINC000713488604 712462054 /nfs/dbraw/zinc/46/20/54/712462054.db2.gz WNTPZMYCNFNJSZ-UHFFFAOYSA-N 1 2 243.347 1.615 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)C(=O)OC ZINC000715435119 712518762 /nfs/dbraw/zinc/51/87/62/712518762.db2.gz HJHSVIRIUASXGL-GRYCIOLGSA-N 1 2 241.331 1.485 20 0 BDADLO c1nc(C[NH2+][C@@H]2CCCC23OCCO3)co1 ZINC000715647010 712529840 /nfs/dbraw/zinc/52/98/40/712529840.db2.gz UMMRJKCPMZZKQW-SNVBAGLBSA-N 1 2 224.260 1.060 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)ccn1 ZINC000715875013 712537736 /nfs/dbraw/zinc/53/77/36/712537736.db2.gz CWTGHZZLOCALOR-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cn1 ZINC000715883247 712539556 /nfs/dbraw/zinc/53/95/56/712539556.db2.gz MTDRRDUQFQLODC-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H]([NH2+]Cc1ccoc1)c1cn(C)nn1 ZINC000715937973 712544131 /nfs/dbraw/zinc/54/41/31/712544131.db2.gz WQXAWSJWWSCKIC-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)[nH]n1 ZINC000716595712 712564411 /nfs/dbraw/zinc/56/44/11/712564411.db2.gz VRJKBAXFKPCBLE-GFCCVEGCSA-N 1 2 235.331 1.849 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2nccs2)c1C ZINC000716493461 712566212 /nfs/dbraw/zinc/56/62/12/712566212.db2.gz KMGJYHQTRIVGFI-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000813072417 712587370 /nfs/dbraw/zinc/58/73/70/712587370.db2.gz HKVZGQNFUXMXHB-VHSXEESVSA-N 1 2 240.303 1.382 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000717219681 712640506 /nfs/dbraw/zinc/64/05/06/712640506.db2.gz NAYOBUFCDMAAKA-LMLFDSFASA-N 1 2 233.315 1.361 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)[C@H](C)O ZINC000717282583 712644576 /nfs/dbraw/zinc/64/45/76/712644576.db2.gz WSHKRWJAHLSJOM-GXFFZTMASA-N 1 2 246.310 1.697 20 0 BDADLO Cc1nccn1CC[N@@H+]1CCn2cccc2C1 ZINC000932523962 712717352 /nfs/dbraw/zinc/71/73/52/712717352.db2.gz GIAFCWSDVZSZPK-UHFFFAOYSA-N 1 2 230.315 1.509 20 0 BDADLO Cc1nccn1CC[N@H+]1CCn2cccc2C1 ZINC000932523962 712717354 /nfs/dbraw/zinc/71/73/54/712717354.db2.gz GIAFCWSDVZSZPK-UHFFFAOYSA-N 1 2 230.315 1.509 20 0 BDADLO Cc1coc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000718408937 712759969 /nfs/dbraw/zinc/75/99/69/712759969.db2.gz FUSYCXUTROEOFQ-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1coc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000718549797 712769347 /nfs/dbraw/zinc/76/93/47/712769347.db2.gz HHWFLZIGUYBJOT-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@H](C2OCCO2)C1 ZINC000719101487 712796815 /nfs/dbraw/zinc/79/68/15/712796815.db2.gz WLDNZRJACLWWPM-SECBINFHSA-N 1 2 238.262 1.420 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000719639739 712814681 /nfs/dbraw/zinc/81/46/81/712814681.db2.gz QKCKUWYHYAKETH-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000719639739 712814682 /nfs/dbraw/zinc/81/46/82/712814682.db2.gz QKCKUWYHYAKETH-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C(=O)NCCc2[nH]cc[nH+]2)CC(F)(F)C1 ZINC000720490825 712847293 /nfs/dbraw/zinc/84/72/93/712847293.db2.gz LWWGTTODODWECW-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO C[C@H]1Cc2cc(C[NH+]3CCN(C)CC3)ccc2O1 ZINC000720794458 712865756 /nfs/dbraw/zinc/86/57/56/712865756.db2.gz AJRWCVCGRUCMPF-LBPRGKRZSA-N 1 2 246.354 1.757 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001037979188 712894637 /nfs/dbraw/zinc/89/46/37/712894637.db2.gz ABOWPWBUPSOWFK-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001037979188 712894639 /nfs/dbraw/zinc/89/46/39/712894639.db2.gz ABOWPWBUPSOWFK-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001037986113 712896572 /nfs/dbraw/zinc/89/65/72/712896572.db2.gz KURDEGYNUBTBRX-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001037986113 712896573 /nfs/dbraw/zinc/89/65/73/712896573.db2.gz KURDEGYNUBTBRX-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1Cc2ccncc2C1 ZINC001208717404 957135079 /nfs/dbraw/zinc/13/50/79/957135079.db2.gz HAAIDNBRQRDGRH-SECBINFHSA-N 1 2 220.272 1.206 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1Cc2ccncc2C1 ZINC001208717404 957135084 /nfs/dbraw/zinc/13/50/84/957135084.db2.gz HAAIDNBRQRDGRH-SECBINFHSA-N 1 2 220.272 1.206 20 0 BDADLO C[N@H+](CCCF)CN1C(=O)SC(C)(C)C1=O ZINC001332188798 975000833 /nfs/dbraw/zinc/00/08/33/975000833.db2.gz VVSFIEPQBDHRFI-UHFFFAOYSA-N 1 2 248.323 1.709 20 0 BDADLO C[N@@H+](CCCF)CN1C(=O)SC(C)(C)C1=O ZINC001332188798 975000836 /nfs/dbraw/zinc/00/08/36/975000836.db2.gz VVSFIEPQBDHRFI-UHFFFAOYSA-N 1 2 248.323 1.709 20 0 BDADLO CN(Cc1ccco1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724692305 959052661 /nfs/dbraw/zinc/05/26/61/959052661.db2.gz CIINVJDAWHMRRQ-QMMMGPOBSA-N 1 2 232.230 1.221 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000724707449 959287362 /nfs/dbraw/zinc/28/73/62/959287362.db2.gz DMEBMTQJYSIPFZ-HTQZYQBOSA-N 1 2 220.263 1.370 20 0 BDADLO CC(C)(C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724728389 959312539 /nfs/dbraw/zinc/31/25/39/959312539.db2.gz ZLDBUCKMJKPQNJ-ZETCQYMHSA-N 1 2 222.279 1.521 20 0 BDADLO CC1(NC(=O)C[C@@H]([NH3+])C(F)F)CCCCC1 ZINC000724752284 959360138 /nfs/dbraw/zinc/36/01/38/959360138.db2.gz PBVHASMMVCAFRU-MRVPVSSYSA-N 1 2 234.290 1.808 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724787283 959526638 /nfs/dbraw/zinc/52/66/38/959526638.db2.gz QZIDFEQKFOKWKR-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC000724787283 959526652 /nfs/dbraw/zinc/52/66/52/959526652.db2.gz QZIDFEQKFOKWKR-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCCOC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692643189 960365685 /nfs/dbraw/zinc/36/56/85/960365685.db2.gz OWLCGUQMTLCPDG-UHFFFAOYSA-N 1 2 225.292 1.754 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001203052674 960458718 /nfs/dbraw/zinc/45/87/18/960458718.db2.gz KZZLGUVFRGALMA-SECBINFHSA-N 1 2 235.331 1.448 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001203052674 960458731 /nfs/dbraw/zinc/45/87/31/960458731.db2.gz KZZLGUVFRGALMA-SECBINFHSA-N 1 2 235.331 1.448 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140887961 960666756 /nfs/dbraw/zinc/66/67/56/960666756.db2.gz KHQBMBRFWMVTTE-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1ccc(O)c(F)c1F ZINC001140887961 960666759 /nfs/dbraw/zinc/66/67/59/960666759.db2.gz KHQBMBRFWMVTTE-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)[nH]n1 ZINC001203081474 960745310 /nfs/dbraw/zinc/74/53/10/960745310.db2.gz ACFKWQKLVRYRPZ-VIFPVBQESA-N 1 2 241.335 1.748 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001140997192 960787037 /nfs/dbraw/zinc/78/70/37/960787037.db2.gz DYMKZKJALVRAMS-WPRPVWTQSA-N 1 2 225.317 1.149 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001140997192 960787055 /nfs/dbraw/zinc/78/70/55/960787055.db2.gz DYMKZKJALVRAMS-WPRPVWTQSA-N 1 2 225.317 1.149 20 0 BDADLO Cc1ncoc1C[N@H+]1CCCC12COC2 ZINC001141052991 960844727 /nfs/dbraw/zinc/84/47/27/960844727.db2.gz WLEFCJUZTHRPIN-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO CCCCc1[nH]c(CN2CCOCC2)c[nH+]1 ZINC001141067304 960862120 /nfs/dbraw/zinc/86/21/20/960862120.db2.gz ZRQNIDYUGODBGF-UHFFFAOYSA-N 1 2 223.320 1.585 20 0 BDADLO CCCCc1[nH]cc(CN2CCOCC2)[nH+]1 ZINC001141067304 960862129 /nfs/dbraw/zinc/86/21/29/960862129.db2.gz ZRQNIDYUGODBGF-UHFFFAOYSA-N 1 2 223.320 1.585 20 0 BDADLO CCCCc1[nH]c(CN2CC(F)(CO)C2)c[nH+]1 ZINC001141067666 960864053 /nfs/dbraw/zinc/86/40/53/960864053.db2.gz LCHGMMDSFMWPLV-UHFFFAOYSA-N 1 2 241.310 1.269 20 0 BDADLO CCCCc1[nH]cc(CN2CC(F)(CO)C2)[nH+]1 ZINC001141067666 960864060 /nfs/dbraw/zinc/86/40/60/960864060.db2.gz LCHGMMDSFMWPLV-UHFFFAOYSA-N 1 2 241.310 1.269 20 0 BDADLO C=C/C=C\CC(=O)NCCn1cc[nH+]c1 ZINC001141601029 961119393 /nfs/dbraw/zinc/11/93/93/961119393.db2.gz BJNJLOQQNQDKER-ARJAWSKDSA-N 1 2 205.261 1.132 20 0 BDADLO c1cn2cc(CN3CCCO3)ccc2[nH+]1 ZINC001143019062 961865597 /nfs/dbraw/zinc/86/55/97/961865597.db2.gz VDAUQMNXIQBMSV-UHFFFAOYSA-N 1 2 203.245 1.472 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)s1 ZINC001270247249 962918303 /nfs/dbraw/zinc/91/83/03/962918303.db2.gz QDMMSGDIICIQFT-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)s1 ZINC001270247249 962918323 /nfs/dbraw/zinc/91/83/23/962918323.db2.gz QDMMSGDIICIQFT-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206658401 963152906 /nfs/dbraw/zinc/15/29/06/963152906.db2.gz XJHDBIVCQWDYFH-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206658401 963152910 /nfs/dbraw/zinc/15/29/10/963152910.db2.gz XJHDBIVCQWDYFH-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206658438 963160699 /nfs/dbraw/zinc/16/06/99/963160699.db2.gz YCWXKJYFGKWQLQ-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206658438 963160705 /nfs/dbraw/zinc/16/07/05/963160705.db2.gz YCWXKJYFGKWQLQ-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCO[C@H](C)C1 ZINC001168112829 963755184 /nfs/dbraw/zinc/75/51/84/963755184.db2.gz DMLJRBUBWVCPNX-YTWAJWBKSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCO[C@H](C)C1 ZINC001168112829 963755191 /nfs/dbraw/zinc/75/51/91/963755191.db2.gz DMLJRBUBWVCPNX-YTWAJWBKSA-N 1 2 245.294 1.139 20 0 BDADLO Cc1nc(NCC2(F)CCOCC2)cc[nH+]1 ZINC001168126012 963798801 /nfs/dbraw/zinc/79/88/01/963798801.db2.gz LCLDVGITAWFYBE-UHFFFAOYSA-N 1 2 225.267 1.716 20 0 BDADLO Nc1cn2ccc(NCC(F)(F)F)cc2[nH+]1 ZINC001161629848 964651209 /nfs/dbraw/zinc/65/12/09/964651209.db2.gz QUDRQSIVMMMHCE-UHFFFAOYSA-N 1 2 230.193 1.891 20 0 BDADLO CCCC(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001483625830 965295955 /nfs/dbraw/zinc/29/59/55/965295955.db2.gz NKUOUJBHKGMCIJ-NWPZZWLHSA-N 1 2 230.739 1.730 20 0 BDADLO CCCC(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001483625830 965295965 /nfs/dbraw/zinc/29/59/65/965295965.db2.gz NKUOUJBHKGMCIJ-NWPZZWLHSA-N 1 2 230.739 1.730 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N=S(C)(C)=O)c[nH+]1 ZINC000913638665 965628157 /nfs/dbraw/zinc/62/81/57/965628157.db2.gz CVDSGPOOPCNNCN-UHFFFAOYSA-N 1 2 243.332 1.181 20 0 BDADLO FC1(F)C[NH2+]CCN(c2cccc(Cl)n2)C1 ZINC001164488902 965895379 /nfs/dbraw/zinc/89/53/79/965895379.db2.gz QDPUHIFMXUBSCC-UHFFFAOYSA-N 1 2 247.676 1.780 20 0 BDADLO CSc1cc[nH+]c(N2CC[C@@](C)(O)C2)c1 ZINC001165232299 965997897 /nfs/dbraw/zinc/99/78/97/965997897.db2.gz VYPDHFYYTSJZJR-LLVKDONJSA-N 1 2 224.329 1.765 20 0 BDADLO Fc1c[nH+]ccc1NC[C@@H]1CSCCS1 ZINC000699601427 966002836 /nfs/dbraw/zinc/00/28/36/966002836.db2.gz ONIQWUBHDOCCES-MRVPVSSYSA-N 1 2 244.360 1.903 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccco2)C[C@H]1C ZINC001203283505 966600815 /nfs/dbraw/zinc/60/08/15/966600815.db2.gz HZRBXBDTVUXXJX-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccco2)C[C@H]1C ZINC001203283505 966600838 /nfs/dbraw/zinc/60/08/38/966600838.db2.gz HZRBXBDTVUXXJX-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001204587546 967077122 /nfs/dbraw/zinc/07/71/22/967077122.db2.gz FICFJEUDGFSBFL-QWRGUYRKSA-N 1 2 229.274 1.990 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)n[nH]1 ZINC001116439030 967162770 /nfs/dbraw/zinc/16/27/70/967162770.db2.gz CQZRDPKEZAPAME-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)n[nH]1 ZINC001116439030 967162781 /nfs/dbraw/zinc/16/27/81/967162781.db2.gz CQZRDPKEZAPAME-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC001250964725 968228989 /nfs/dbraw/zinc/22/89/89/968228989.db2.gz NJQHOLRJGGBGEZ-VXNVDRBHSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC001250964725 968229000 /nfs/dbraw/zinc/22/90/00/968229000.db2.gz NJQHOLRJGGBGEZ-VXNVDRBHSA-N 1 2 239.237 1.211 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252021864 968445978 /nfs/dbraw/zinc/44/59/78/968445978.db2.gz QTRSHCHRSXBFAG-RKDXNWHRSA-N 1 2 241.253 1.063 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252021864 968445994 /nfs/dbraw/zinc/44/59/94/968445994.db2.gz QTRSHCHRSXBFAG-RKDXNWHRSA-N 1 2 241.253 1.063 20 0 BDADLO COC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC001206856443 968504725 /nfs/dbraw/zinc/50/47/25/968504725.db2.gz XBGBRKUJIAZJPG-UHFFFAOYSA-N 1 2 242.269 1.971 20 0 BDADLO CCCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252082879 968505925 /nfs/dbraw/zinc/50/59/25/968505925.db2.gz KRJIPNOQJYAXMS-GARJFASQSA-N 1 2 221.291 1.919 20 0 BDADLO CCCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252082879 968505932 /nfs/dbraw/zinc/50/59/32/968505932.db2.gz KRJIPNOQJYAXMS-GARJFASQSA-N 1 2 221.291 1.919 20 0 BDADLO Cc1ncc(C[NH+]2CC3(COC3)C2)s1 ZINC001207059304 968591253 /nfs/dbraw/zinc/59/12/53/968591253.db2.gz YJGRQNBJENKIHZ-UHFFFAOYSA-N 1 2 210.302 1.284 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+]CC(C)(C)O ZINC001252365619 968645750 /nfs/dbraw/zinc/64/57/50/968645750.db2.gz GGDXXEMOTFRETO-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CC[C@@H](F)C1 ZINC000689935101 968899128 /nfs/dbraw/zinc/89/91/28/968899128.db2.gz FXRVHFOVUZYAGD-PTDYZRSTSA-N 1 2 201.241 1.150 20 0 BDADLO C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1COC1 ZINC001253359864 969139322 /nfs/dbraw/zinc/13/93/22/969139322.db2.gz UVOWLHUQPMCOFM-GFCCVEGCSA-N 1 2 243.253 1.329 20 0 BDADLO C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1COC1 ZINC001253359864 969139327 /nfs/dbraw/zinc/13/93/27/969139327.db2.gz UVOWLHUQPMCOFM-GFCCVEGCSA-N 1 2 243.253 1.329 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001208710347 969199826 /nfs/dbraw/zinc/19/98/26/969199826.db2.gz DPXXFDKZEKIDBT-VGMNWLOBSA-N 1 2 221.247 1.177 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001208710347 969199829 /nfs/dbraw/zinc/19/98/29/969199829.db2.gz DPXXFDKZEKIDBT-VGMNWLOBSA-N 1 2 221.247 1.177 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001208725548 969208659 /nfs/dbraw/zinc/20/86/59/969208659.db2.gz PFXZBVYWNZODSG-QMMMGPOBSA-N 1 2 238.287 1.150 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1CCc2oc(C)nc2C1 ZINC001208725548 969208664 /nfs/dbraw/zinc/20/86/64/969208664.db2.gz PFXZBVYWNZODSG-QMMMGPOBSA-N 1 2 238.287 1.150 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001208919021 969305495 /nfs/dbraw/zinc/30/54/95/969305495.db2.gz ULCQFGVAXUHRRX-DTORHVGOSA-N 1 2 219.275 1.984 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001208919021 969305506 /nfs/dbraw/zinc/30/55/06/969305506.db2.gz ULCQFGVAXUHRRX-DTORHVGOSA-N 1 2 219.275 1.984 20 0 BDADLO CCCc1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001253956692 969430128 /nfs/dbraw/zinc/43/01/28/969430128.db2.gz CQFCPZOOCQPSRP-UHFFFAOYSA-N 1 2 206.249 1.346 20 0 BDADLO CSc1cc(N[C@H]2COC(=O)C2)nc(C)[nH+]1 ZINC001169114676 969455912 /nfs/dbraw/zinc/45/59/12/969455912.db2.gz YPJVZWDITREWDT-SSDOTTSWSA-N 1 2 239.300 1.234 20 0 BDADLO C[C@H](COC(C)(C)C)OCC[NH+]1CCOCC1 ZINC001210192613 969824676 /nfs/dbraw/zinc/82/46/76/969824676.db2.gz TVERJHPMFDQUTR-GFCCVEGCSA-N 1 2 245.363 1.539 20 0 BDADLO CC[C@@H]1C[C@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001170206377 970573640 /nfs/dbraw/zinc/57/36/40/970573640.db2.gz GIKPLIPTSNNFSK-GHMZBOCLSA-N 1 2 248.317 1.485 20 0 BDADLO CCSC[C@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001173301466 975203135 /nfs/dbraw/zinc/20/31/35/975203135.db2.gz URCKGUWKZJDBDC-VIFPVBQESA-N 1 2 238.347 1.669 20 0 BDADLO C[C@@H]1CSCC[N@H+](Cc2nncs2)C1 ZINC001332979162 975352248 /nfs/dbraw/zinc/35/22/48/975352248.db2.gz BVMGWJQKEFQUCO-QMMMGPOBSA-N 1 2 229.374 1.723 20 0 BDADLO C[C@@H]1CSCC[N@@H+](Cc2nncs2)C1 ZINC001332979162 975352253 /nfs/dbraw/zinc/35/22/53/975352253.db2.gz BVMGWJQKEFQUCO-QMMMGPOBSA-N 1 2 229.374 1.723 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001334159929 976343301 /nfs/dbraw/zinc/34/33/01/976343301.db2.gz KLGJEHHPDWXRRS-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC001334159929 976343322 /nfs/dbraw/zinc/34/33/22/976343322.db2.gz KLGJEHHPDWXRRS-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCc1ccns1 ZINC001334643834 976575619 /nfs/dbraw/zinc/57/56/19/976575619.db2.gz LERBVJBLCLMKPF-UHFFFAOYSA-N 1 2 236.344 1.551 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCc1ccns1 ZINC001334643834 976575630 /nfs/dbraw/zinc/57/56/30/976575630.db2.gz LERBVJBLCLMKPF-UHFFFAOYSA-N 1 2 236.344 1.551 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)OCC3)C1 ZINC001228995000 976623013 /nfs/dbraw/zinc/62/30/13/976623013.db2.gz KUMJJIJRUJCVGX-UHFFFAOYSA-N 1 2 219.284 1.704 20 0 BDADLO COc1cc[nH+]cc1Nc1cc(C)nn1C ZINC001174819941 977067089 /nfs/dbraw/zinc/06/70/89/977067089.db2.gz DXIWCGOJVUMBIX-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)c2ccns2)CC[N@H+]1C ZINC001335848411 977324465 /nfs/dbraw/zinc/32/44/65/977324465.db2.gz XFRNCUPNAZAUJA-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)c2ccns2)CC[N@@H+]1C ZINC001335848411 977324478 /nfs/dbraw/zinc/32/44/78/977324478.db2.gz XFRNCUPNAZAUJA-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO CN(CC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001336009686 977424836 /nfs/dbraw/zinc/42/48/36/977424836.db2.gz SABVSGMGROFZMT-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ncccc2Cl)CC[C@H]1F ZINC001231958261 977811404 /nfs/dbraw/zinc/81/14/04/977811404.db2.gz RIVHKVGETGWBJR-MWLCHTKSSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@H]1F ZINC001231958261 977811410 /nfs/dbraw/zinc/81/14/10/977811410.db2.gz RIVHKVGETGWBJR-MWLCHTKSSA-N 1 2 244.697 1.640 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232155748 977898570 /nfs/dbraw/zinc/89/85/70/977898570.db2.gz PNDQQRKJALUHCH-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232155748 977898572 /nfs/dbraw/zinc/89/85/72/977898572.db2.gz PNDQQRKJALUHCH-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO COCC1C[NH+](Cc2ncsc2C)C1 ZINC001232200891 977923473 /nfs/dbraw/zinc/92/34/73/977923473.db2.gz BBBQUNLUAOUUTB-UHFFFAOYSA-N 1 2 212.318 1.530 20 0 BDADLO Cc1[nH]c(CN2CCC(F)(F)[C@@H](F)C2)c[nH+]1 ZINC001232460700 978093213 /nfs/dbraw/zinc/09/32/13/978093213.db2.gz UBOVNQPTGPOMEN-VIFPVBQESA-N 1 2 233.237 1.897 20 0 BDADLO Cc1[nH]cc(CN2CCC(F)(F)[C@@H](F)C2)[nH+]1 ZINC001232460700 978093232 /nfs/dbraw/zinc/09/32/32/978093232.db2.gz UBOVNQPTGPOMEN-VIFPVBQESA-N 1 2 233.237 1.897 20 0 BDADLO CCc1csc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC001232473424 978124289 /nfs/dbraw/zinc/12/42/89/978124289.db2.gz QLUYTHKZSWLHRZ-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CCc1csc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC001232473424 978124293 /nfs/dbraw/zinc/12/42/93/978124293.db2.gz QLUYTHKZSWLHRZ-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO Cc1cccc(F)c1C[NH+]1CCN(C)CC1 ZINC001232481818 978134145 /nfs/dbraw/zinc/13/41/45/978134145.db2.gz ITQUTIICQAEVIL-UHFFFAOYSA-N 1 2 222.307 1.882 20 0 BDADLO C[N@H+](CCF)Cc1cccc(CF)n1 ZINC001232538103 978167875 /nfs/dbraw/zinc/16/78/75/978167875.db2.gz RIJFCQPRSSWNEZ-UHFFFAOYSA-N 1 2 200.232 1.952 20 0 BDADLO C[N@@H+](CCF)Cc1cccc(CF)n1 ZINC001232538103 978167882 /nfs/dbraw/zinc/16/78/82/978167882.db2.gz RIJFCQPRSSWNEZ-UHFFFAOYSA-N 1 2 200.232 1.952 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001233317886 978546083 /nfs/dbraw/zinc/54/60/83/978546083.db2.gz IGIWJIGGKDHJNS-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001233317886 978546090 /nfs/dbraw/zinc/54/60/90/978546090.db2.gz IGIWJIGGKDHJNS-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO C[NH+]1CC(Oc2ccc(OC(F)F)cc2)C1 ZINC001233650410 978660379 /nfs/dbraw/zinc/66/03/79/978660379.db2.gz ZFASEPSPRZXWKI-UHFFFAOYSA-N 1 2 229.226 1.981 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235003034 978948668 /nfs/dbraw/zinc/94/86/68/978948668.db2.gz DKGOLMGJFQRVAD-VIFPVBQESA-N 1 2 225.267 1.084 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235003034 978948673 /nfs/dbraw/zinc/94/86/73/978948673.db2.gz DKGOLMGJFQRVAD-VIFPVBQESA-N 1 2 225.267 1.084 20 0 BDADLO CC(=O)NCCc1ccc2[nH+]ccn2c1 ZINC001250012534 979212275 /nfs/dbraw/zinc/21/22/75/979212275.db2.gz AANPAFNDZKAHNR-UHFFFAOYSA-N 1 2 203.245 1.013 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC1(C)C)n1cc[nH+]c1 ZINC001341969143 979608848 /nfs/dbraw/zinc/60/88/48/979608848.db2.gz MCKTZTUXUHHZSN-NXEZZACHSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccnc2Cl)CC[C@H]1O ZINC001236611939 979676336 /nfs/dbraw/zinc/67/63/36/979676336.db2.gz BDNDPOWSMSKAEN-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccnc2Cl)CC[C@H]1O ZINC001236611939 979676338 /nfs/dbraw/zinc/67/63/38/979676338.db2.gz BDNDPOWSMSKAEN-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H](C[NH2+][C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C)[NH+](C)C ZINC001604642241 979689655 /nfs/dbraw/zinc/68/96/55/979689655.db2.gz AVFBAMBFQUCIDC-IRCOFANPSA-N 1 2 242.363 1.416 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(F)c(O)c1 ZINC001236703541 979698367 /nfs/dbraw/zinc/69/83/67/979698367.db2.gz PCXSHYRACOQWQY-UHFFFAOYSA-N 1 2 240.278 1.099 20 0 BDADLO COc1cc2c(cc1OC)C[NH+](CCO)C2 ZINC001237042950 979807481 /nfs/dbraw/zinc/80/74/81/979807481.db2.gz PHYROLQYFYENAX-UHFFFAOYSA-N 1 2 223.272 1.012 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cn[nH]c2CC)C1 ZINC001237651829 980012916 /nfs/dbraw/zinc/01/29/16/980012916.db2.gz YUWQYLKCRFXYBP-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cn[nH]c2CC)C1 ZINC001237651829 980012922 /nfs/dbraw/zinc/01/29/22/980012922.db2.gz YUWQYLKCRFXYBP-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCOC2(CC2)C1 ZINC001237654501 980021989 /nfs/dbraw/zinc/02/19/89/980021989.db2.gz IWSJEWFLBYNQGF-UHFFFAOYSA-N 1 2 221.304 1.337 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCOC2(CC2)C1 ZINC001237654501 980022003 /nfs/dbraw/zinc/02/20/03/980022003.db2.gz IWSJEWFLBYNQGF-UHFFFAOYSA-N 1 2 221.304 1.337 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238229285 980227923 /nfs/dbraw/zinc/22/79/23/980227923.db2.gz HQFOCWRCOZVYQV-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238229285 980227927 /nfs/dbraw/zinc/22/79/27/980227927.db2.gz HQFOCWRCOZVYQV-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C)C2)c(C)c1 ZINC001238427891 980255502 /nfs/dbraw/zinc/25/55/02/980255502.db2.gz XTLHUKJYSMLRAU-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C)C2)c(C)c1 ZINC001238427891 980255512 /nfs/dbraw/zinc/25/55/12/980255512.db2.gz XTLHUKJYSMLRAU-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO CO[C@H](C)CC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345331434 980602148 /nfs/dbraw/zinc/60/21/48/980602148.db2.gz MIHDDUGMXSDRJU-SNVBAGLBSA-N 1 2 240.303 1.586 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000274065546 980901898 /nfs/dbraw/zinc/90/18/98/980901898.db2.gz DYCNHJIFDNQHJG-LLVKDONJSA-N 1 2 242.344 1.024 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc[nH]c2)C1 ZINC000274065546 980901903 /nfs/dbraw/zinc/90/19/03/980901903.db2.gz DYCNHJIFDNQHJG-LLVKDONJSA-N 1 2 242.344 1.024 20 0 BDADLO CC(C(=O)NCCc1cn(C)c[nH+]1)=C1CCC1 ZINC001583338486 981812783 /nfs/dbraw/zinc/81/27/83/981812783.db2.gz MEMAVQCEIREMGB-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CC[C@H](C)COC(=O)NCc1c[nH+]cn1C ZINC001194756425 981886960 /nfs/dbraw/zinc/88/69/60/981886960.db2.gz INMANZJQNCETIU-VIFPVBQESA-N 1 2 225.292 1.692 20 0 BDADLO CCC1(CC)CC[N@@H+](Cc2nnc[nH]2)C1 ZINC001350364029 981942351 /nfs/dbraw/zinc/94/23/51/981942351.db2.gz HZRNPZOQADJJLE-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@H](C)OC(=O)NCCc1[nH+]ccn1C ZINC001195160953 982145455 /nfs/dbraw/zinc/14/54/55/982145455.db2.gz ALGUMXRGIULZIV-VIFPVBQESA-N 1 2 225.292 1.487 20 0 BDADLO CNC(=O)CCC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001198641168 982813541 /nfs/dbraw/zinc/81/35/41/982813541.db2.gz NSWQTRMRPWXGTN-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO CNC(=O)CCC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001198641168 982813542 /nfs/dbraw/zinc/81/35/42/982813542.db2.gz NSWQTRMRPWXGTN-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO CC[N@@H+]1CCC[C@@H]([NH2+]CCCCC(=O)[O-])C1 ZINC001589744776 982877489 /nfs/dbraw/zinc/87/74/89/982877489.db2.gz DWTIBELQKUGXFP-LLVKDONJSA-N 1 2 228.336 1.315 20 0 BDADLO CC[N@H+]1CCC[C@@H]([NH2+]CCCCC(=O)[O-])C1 ZINC001589744776 982877492 /nfs/dbraw/zinc/87/74/92/982877492.db2.gz DWTIBELQKUGXFP-LLVKDONJSA-N 1 2 228.336 1.315 20 0 BDADLO COc1cccnc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001353519390 982878000 /nfs/dbraw/zinc/87/80/00/982878000.db2.gz ZLQFCQIDMIUJJW-ZCFIWIBFSA-N 1 2 245.229 1.011 20 0 BDADLO Cc1[nH+]cc(NC(=S)NC(C)(C)C)n1C ZINC001200899360 983118596 /nfs/dbraw/zinc/11/85/96/983118596.db2.gz NTISSWPEAWRKRG-UHFFFAOYSA-N 1 2 226.349 1.813 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)OCc1c[nH+]cn1C ZINC001357818285 983787443 /nfs/dbraw/zinc/78/74/43/983787443.db2.gz DKIZKZMNUMVSMA-GHMZBOCLSA-N 1 2 238.287 1.278 20 0 BDADLO CCNC(=O)Nc1cccc2[nH+]ccn21 ZINC001202535315 983893259 /nfs/dbraw/zinc/89/32/59/983893259.db2.gz BRQXYMSWUIAHQF-UHFFFAOYSA-N 1 2 204.233 1.476 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001559665920 983929096 /nfs/dbraw/zinc/92/90/96/983929096.db2.gz ULMOTHWKVSOTCD-LPEHRKFASA-N 1 2 247.285 1.915 20 0 BDADLO Cc1csc(C[N@@H+]2CCO[C@@H](CO)C2)c1 ZINC001137153012 983991883 /nfs/dbraw/zinc/99/18/83/983991883.db2.gz LRGXYAHZNGKOEG-SNVBAGLBSA-N 1 2 227.329 1.250 20 0 BDADLO Cc1csc(C[N@H+]2CCO[C@@H](CO)C2)c1 ZINC001137153012 983991891 /nfs/dbraw/zinc/99/18/91/983991891.db2.gz LRGXYAHZNGKOEG-SNVBAGLBSA-N 1 2 227.329 1.250 20 0 BDADLO CCCOC(=O)C[NH2+][C@H](C)CCOCC(C)C ZINC001172474196 974770526 /nfs/dbraw/zinc/77/05/26/974770526.db2.gz ZLIZSXWRRLSIHJ-GFCCVEGCSA-N 1 2 245.363 1.980 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@H](C)CCOCC(C)C ZINC001172453073 974816121 /nfs/dbraw/zinc/81/61/21/974816121.db2.gz BHYAVLZTNWGYGC-LLVKDONJSA-N 1 2 245.363 1.979 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)NC(=O)NC2 ZINC001243475529 970768418 /nfs/dbraw/zinc/76/84/18/970768418.db2.gz KPNLCBWCLXXLDH-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO NC(=O)Cc1ccccc1-c1ccc[nH+]c1N ZINC001243476387 970770367 /nfs/dbraw/zinc/77/03/67/970770367.db2.gz ABSNHWZEHVZHOH-UHFFFAOYSA-N 1 2 227.267 1.359 20 0 BDADLO C[C@H](Cc1ccccn1)[NH2+]Cc1ncon1 ZINC001256396113 970801949 /nfs/dbraw/zinc/80/19/49/970801949.db2.gz WCIMLUNPRPTLQS-SECBINFHSA-N 1 2 218.260 1.185 20 0 BDADLO CCCCOC(=O)C[N@H+](CC)[C@H]1CCCOC1 ZINC000402632624 970808474 /nfs/dbraw/zinc/80/84/74/970808474.db2.gz ZWTWKZMNAIOGJD-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@@H+](CC)[C@H]1CCCOC1 ZINC000402632624 970808479 /nfs/dbraw/zinc/80/84/79/970808479.db2.gz ZWTWKZMNAIOGJD-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO C[C@H](Cc1ccccn1)[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001256425862 970835180 /nfs/dbraw/zinc/83/51/80/970835180.db2.gz KONJIAJMXWUILF-KGYLQXTDSA-N 1 2 218.300 1.486 20 0 BDADLO C[C@H](Cc1ccccn1)[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001256425862 970835181 /nfs/dbraw/zinc/83/51/81/970835181.db2.gz KONJIAJMXWUILF-KGYLQXTDSA-N 1 2 218.300 1.486 20 0 BDADLO CCOC1CCC([NH+]2CC(F)C2)CC1 ZINC001256436906 970841284 /nfs/dbraw/zinc/84/12/84/970841284.db2.gz QASPMQYYFTXKPA-UHFFFAOYSA-N 1 2 201.285 1.988 20 0 BDADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)C(F)(F)F ZINC001129538149 970854615 /nfs/dbraw/zinc/85/46/15/970854615.db2.gz IVOYHJSIHNGAOD-ZETCQYMHSA-N 1 2 249.236 1.277 20 0 BDADLO CN(C)c1cc(-c2cccc(=O)[nH]2)cc[nH+]1 ZINC001243737119 970893388 /nfs/dbraw/zinc/89/33/88/970893388.db2.gz CILGCPQLPLMPRQ-UHFFFAOYSA-N 1 2 215.256 1.915 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(CCn2cc[nH+]c2)o1 ZINC001256658020 970906824 /nfs/dbraw/zinc/90/68/24/970906824.db2.gz NQSFFLMSUIKVKA-IUCAKERBSA-N 1 2 218.260 1.632 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(C2([NH+](C)C)CC2)o1 ZINC001256682377 970916792 /nfs/dbraw/zinc/91/67/92/970916792.db2.gz IVFJQDZUSFZCDB-SFYZADRCSA-N 1 2 207.277 1.744 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(C2([NH+](C)C)CC2)o1 ZINC001256682376 970918271 /nfs/dbraw/zinc/91/82/71/970918271.db2.gz IVFJQDZUSFZCDB-JGVFFNPUSA-N 1 2 207.277 1.744 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787611 970987337 /nfs/dbraw/zinc/98/73/37/970987337.db2.gz SHFAYLGPSMOLIP-QWHCGFSZSA-N 1 2 249.310 1.669 20 0 BDADLO c1cn(-c2ccc(C3=C[NH2+]CCC3)nn2)cn1 ZINC001243948701 971033505 /nfs/dbraw/zinc/03/35/05/971033505.db2.gz DODGHQYEWKJXGX-UHFFFAOYSA-N 1 2 227.271 1.387 20 0 BDADLO COc1cc(C2=C[NH2+]CCC2)nc(C)n1 ZINC001243947963 971035221 /nfs/dbraw/zinc/03/52/21/971035221.db2.gz SELWBOLIRGDYBR-UHFFFAOYSA-N 1 2 205.261 1.518 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(=O)CC2)C1 ZINC001257053426 971078401 /nfs/dbraw/zinc/07/84/01/971078401.db2.gz WZYCUQJTYDGZCN-MNOVXSKESA-N 1 2 239.315 1.383 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257073465 971084724 /nfs/dbraw/zinc/08/47/24/971084724.db2.gz OBSSCKZYXKIAQG-DCAQKATOSA-N 1 2 243.347 1.872 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257255141 971152303 /nfs/dbraw/zinc/15/23/03/971152303.db2.gz YRJMOGJLTCIRLH-ZYHUDNBSSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C(CC)CC)[C@@H](C)O ZINC001257289972 971174949 /nfs/dbraw/zinc/17/49/49/971174949.db2.gz ILGGCCQVLAXCIB-PSASIEDQSA-N 1 2 217.309 1.077 20 0 BDADLO CCC[C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)O ZINC001257308622 971199511 /nfs/dbraw/zinc/19/95/11/971199511.db2.gz AWRJFLITCQPBRS-AXFHLTTASA-N 1 2 245.363 1.856 20 0 BDADLO CCC[C@@H](C)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257317946 971218687 /nfs/dbraw/zinc/21/86/87/971218687.db2.gz WKZIBVYYNKGWGH-BBBLOLIVSA-N 1 2 217.284 1.760 20 0 BDADLO CCC[C@@H](C)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257317946 971218693 /nfs/dbraw/zinc/21/86/93/971218693.db2.gz WKZIBVYYNKGWGH-BBBLOLIVSA-N 1 2 217.284 1.760 20 0 BDADLO CCc1nnc([C@@H]([NH3+])COC(C)(C)C)o1 ZINC001217697742 971333360 /nfs/dbraw/zinc/33/33/60/971333360.db2.gz SDAYBDDAMGAQLZ-ZETCQYMHSA-N 1 2 213.281 1.447 20 0 BDADLO CCCCCCc1nnc([C@@H]([NH3+])CO)o1 ZINC001217699833 971339774 /nfs/dbraw/zinc/33/97/74/971339774.db2.gz WUKMXQYMHJTULE-QMMMGPOBSA-N 1 2 213.281 1.185 20 0 BDADLO C[C@@H](O)[C@@H]([NH3+])c1nnc(Cc2ccccc2)o1 ZINC001217736699 971375909 /nfs/dbraw/zinc/37/59/09/971375909.db2.gz MKEWDTPEYSQELK-LDYMZIIASA-N 1 2 233.271 1.041 20 0 BDADLO C[C@H]1C[C@H]1c1nnc([C@H]([NH3+])c2ccc(O)cc2)o1 ZINC001217737319 971378798 /nfs/dbraw/zinc/37/87/98/971378798.db2.gz WDJMTSPTRVOQTP-WHGOUJPWSA-N 1 2 245.282 1.947 20 0 BDADLO CCC[NH+]1CCN([C@H]2CCCSC2)CC1 ZINC001257675802 971477910 /nfs/dbraw/zinc/47/79/10/971477910.db2.gz FLLMQXTZGBYYFD-LBPRGKRZSA-N 1 2 228.405 1.910 20 0 BDADLO Cn1c[nH+]c(Cc2nnc(CC(C)(C)C)o2)c1 ZINC001257853363 971505728 /nfs/dbraw/zinc/50/57/28/971505728.db2.gz TYOVBAMTFUTBNV-UHFFFAOYSA-N 1 2 234.303 1.983 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC001258053882 971578997 /nfs/dbraw/zinc/57/89/97/971578997.db2.gz XIYDANMMNKZYOU-GRYCIOLGSA-N 1 2 245.363 1.571 20 0 BDADLO Fc1cccc(O[C@H]2C[NH2+]CC2(F)F)c1F ZINC001218232545 971642311 /nfs/dbraw/zinc/64/23/11/971642311.db2.gz RWZJSAIMPIFMQI-QMMMGPOBSA-N 1 2 235.180 1.951 20 0 BDADLO OC1CC(Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001218258473 971660237 /nfs/dbraw/zinc/66/02/37/971660237.db2.gz GMUJHSKJGYVEFC-UHFFFAOYSA-N 1 2 230.267 1.979 20 0 BDADLO CC[C@H](C)OCC[C@H](C)[NH2+]CC(=O)OC ZINC001172318628 974526600 /nfs/dbraw/zinc/52/66/00/974526600.db2.gz KJNDYCTYLUJTRZ-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO O=C(Nc1nc2ccccc2s1)[C@@H]1COC[NH2+]1 ZINC001218495669 971832568 /nfs/dbraw/zinc/83/25/68/971832568.db2.gz HUIDQXXWCNABBM-QMMMGPOBSA-N 1 2 249.295 1.181 20 0 BDADLO Cc1cc(-c2ccc3nncn3n2)c[nH+]c1N ZINC001245539226 971854123 /nfs/dbraw/zinc/85/41/23/971854123.db2.gz VEJLVQWJNSSYHN-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CCCOCC1 ZINC001170810178 971874731 /nfs/dbraw/zinc/87/47/31/971874731.db2.gz XVBGZZUWRZAKRC-VWYCJHECSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CCCOCC1 ZINC001170810178 971874735 /nfs/dbraw/zinc/87/47/35/971874735.db2.gz XVBGZZUWRZAKRC-VWYCJHECSA-N 1 2 245.294 1.141 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1ccc2c([nH+]1)CCOC2 ZINC001170823440 971915791 /nfs/dbraw/zinc/91/57/91/971915791.db2.gz WTZMVIQBBSHCLE-PWSUYJOCSA-N 1 2 248.326 1.991 20 0 BDADLO Nc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001218824160 971945882 /nfs/dbraw/zinc/94/58/82/971945882.db2.gz XUWDRXJZRWPLAC-UHFFFAOYSA-N 1 2 230.271 1.563 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1CC1CCC1 ZINC001245927509 972099745 /nfs/dbraw/zinc/09/97/45/972099745.db2.gz RKWVSTYSCMDPIE-UHFFFAOYSA-N 1 2 207.277 1.076 20 0 BDADLO CCC(CC)n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245926292 972100759 /nfs/dbraw/zinc/10/07/59/972100759.db2.gz AHGNMVOJWJOCGJ-UHFFFAOYSA-N 1 2 209.293 1.637 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1ccc(N(C)C)c[nH+]1 ZINC000192630730 972156351 /nfs/dbraw/zinc/15/63/51/972156351.db2.gz KGVHJQYPEHCJBB-CMPLNLGQSA-N 1 2 235.331 1.985 20 0 BDADLO c1cc([C@H]2C[N@H+](C[C@H]3CCCO3)CCO2)ccn1 ZINC001207887296 956873518 /nfs/dbraw/zinc/87/35/18/956873518.db2.gz FRAHZGWJQPEJQO-ZIAGYGMSSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)ccn1 ZINC001207887296 956873523 /nfs/dbraw/zinc/87/35/23/956873523.db2.gz FRAHZGWJQPEJQO-ZIAGYGMSSA-N 1 2 248.326 1.634 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988244 957301754 /nfs/dbraw/zinc/30/17/54/957301754.db2.gz RJXYJEFQJJAYSW-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988244 957301763 /nfs/dbraw/zinc/30/17/63/957301763.db2.gz RJXYJEFQJJAYSW-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(=O)C[C@H]1C ZINC000705577772 957344733 /nfs/dbraw/zinc/34/47/33/957344733.db2.gz VHSVTRXQOLVLLZ-SNVBAGLBSA-N 1 2 218.300 1.943 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC000705577772 957344740 /nfs/dbraw/zinc/34/47/40/957344740.db2.gz VHSVTRXQOLVLLZ-SNVBAGLBSA-N 1 2 218.300 1.943 20 0 BDADLO OC1C[NH+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171037342 972261235 /nfs/dbraw/zinc/26/12/35/972261235.db2.gz KXDSYDKPDBMBOT-SNVBAGLBSA-N 1 2 237.730 1.874 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000049237787 957475502 /nfs/dbraw/zinc/47/55/02/957475502.db2.gz SSAGTZRKRHWDJR-VIFPVBQESA-N 1 2 246.270 1.477 20 0 BDADLO CCN(CC(C)(C)O)c1[nH+]cc(C)cc1OC ZINC001167157008 957498786 /nfs/dbraw/zinc/49/87/86/957498786.db2.gz SEMRHCULOWPFPN-UHFFFAOYSA-N 1 2 238.331 1.996 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001209554354 957500315 /nfs/dbraw/zinc/50/03/15/957500315.db2.gz HDKQSUASBFFNRP-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001209554354 957500331 /nfs/dbraw/zinc/50/03/31/957500331.db2.gz HDKQSUASBFFNRP-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001209555205 957502103 /nfs/dbraw/zinc/50/21/03/957502103.db2.gz WMDJXLGTPWVOKK-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001209555205 957502112 /nfs/dbraw/zinc/50/21/12/957502112.db2.gz WMDJXLGTPWVOKK-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO COc1cc(C[N@@H+]2CCCC(=O)[C@H](C)C2)ccn1 ZINC001209637560 957518496 /nfs/dbraw/zinc/51/84/96/957518496.db2.gz HZTGWYQWUHTWHS-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1cc(C[N@H+]2CCCC(=O)[C@H](C)C2)ccn1 ZINC001209637560 957518503 /nfs/dbraw/zinc/51/85/03/957518503.db2.gz HZTGWYQWUHTWHS-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001167215335 957548140 /nfs/dbraw/zinc/54/81/40/957548140.db2.gz PBJOSJSFYODEMG-OLZOCXBDSA-N 1 2 248.326 1.843 20 0 BDADLO Cc1nc(NCc2cncnc2)cc[nH+]1 ZINC001167261255 957603262 /nfs/dbraw/zinc/60/32/62/957603262.db2.gz IBVUJNHTULWLLO-UHFFFAOYSA-N 1 2 201.233 1.187 20 0 BDADLO Cn1c[nH+]c2ccc(NCc3cncnc3)cc21 ZINC001167261030 957604756 /nfs/dbraw/zinc/60/47/56/957604756.db2.gz BPFUVTJSTKVXRM-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C)oc1C ZINC001167300725 957692645 /nfs/dbraw/zinc/69/26/45/957692645.db2.gz FWCUSEMGUGIKGN-SECBINFHSA-N 1 2 223.276 1.324 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C)oc1C ZINC001167300725 957692648 /nfs/dbraw/zinc/69/26/48/957692648.db2.gz FWCUSEMGUGIKGN-SECBINFHSA-N 1 2 223.276 1.324 20 0 BDADLO Cc1[nH+]cc(Nc2nccn3cnnc23)cc1N ZINC001210286669 957713692 /nfs/dbraw/zinc/71/36/92/957713692.db2.gz CCVGANDRBLKFAN-UHFFFAOYSA-N 1 2 241.258 1.154 20 0 BDADLO Nc1cn2ccc(NC3CC(=O)C3)cc2[nH+]1 ZINC001167340798 957797346 /nfs/dbraw/zinc/79/73/46/957797346.db2.gz HYTQLMMVZGHJHQ-UHFFFAOYSA-N 1 2 216.244 1.060 20 0 BDADLO COc1cc(Nc2cc(=O)[nH]c(C)n2)cc(C)[nH+]1 ZINC001210774531 957871983 /nfs/dbraw/zinc/87/19/83/957871983.db2.gz NVALGICSFQABDK-UHFFFAOYSA-N 1 2 246.270 1.946 20 0 BDADLO COc1nn(C)cc1Nc1cc(C)[nH+]c(OC)c1 ZINC001210775887 957875517 /nfs/dbraw/zinc/87/55/17/957875517.db2.gz JUVXAVWJPZHLNE-UHFFFAOYSA-N 1 2 248.286 1.884 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cncc(Cl)c2)CC[C@H]1F ZINC001136989777 972312931 /nfs/dbraw/zinc/31/29/31/972312931.db2.gz SBXOGVCFBBSAGN-GHMZBOCLSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@H]1F ZINC001136989777 972312937 /nfs/dbraw/zinc/31/29/37/972312937.db2.gz SBXOGVCFBBSAGN-GHMZBOCLSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2cnccn2)o1 ZINC000398119449 958077152 /nfs/dbraw/zinc/07/71/52/958077152.db2.gz WEFDXTMENTXSEC-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000390583856 972349249 /nfs/dbraw/zinc/34/92/49/972349249.db2.gz XNHSEPAQDTXJFK-GHMZBOCLSA-N 1 2 227.304 1.610 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\[C@H]2CCCO2)o1 ZINC001327000822 972359844 /nfs/dbraw/zinc/35/98/44/972359844.db2.gz NUUZHETYNXBEGP-SSJHQANKSA-N 1 2 223.276 1.323 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1C/C=C\Cl ZINC000588473584 958718710 /nfs/dbraw/zinc/71/87/10/958718710.db2.gz WOQTWBOYDFKIRV-YLBDSCSXSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1C/C=C\Cl ZINC000588473584 958718726 /nfs/dbraw/zinc/71/87/26/958718726.db2.gz WOQTWBOYDFKIRV-YLBDSCSXSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@@H](Cc1cnn(C)c1)c1nnc(C[NH+](C)C)o1 ZINC001327041924 972373136 /nfs/dbraw/zinc/37/31/36/972373136.db2.gz IMRAWMXJSABDJM-VIFPVBQESA-N 1 2 249.318 1.211 20 0 BDADLO COCCOCCOCCOc1cc[nH+]cc1 ZINC000222853941 958814717 /nfs/dbraw/zinc/81/47/17/958814717.db2.gz QYXFCADEROPWSX-UHFFFAOYSA-N 1 2 241.287 1.140 20 0 BDADLO CCC(=O)[C@@H](CC)OCCn1cc[nH+]c1 ZINC001222134674 972383482 /nfs/dbraw/zinc/38/34/82/972383482.db2.gz JWNCFBWKXIILEW-LLVKDONJSA-N 1 2 210.277 1.657 20 0 BDADLO CC1=C(OCCn2cc[nH+]c2)C(=O)O[C@H]1C ZINC001222134498 972380839 /nfs/dbraw/zinc/38/08/39/972380839.db2.gz FEJLBEYGDUPJKM-VIFPVBQESA-N 1 2 222.244 1.119 20 0 BDADLO O=C([C@H]1C[C@@H]1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001143437032 958858917 /nfs/dbraw/zinc/85/89/17/958858917.db2.gz LVHFXYWPASUJGI-UTLUCORTSA-N 1 2 237.278 1.474 20 0 BDADLO CC1(C)OC[C@H](COCCn2cc[nH+]c2)O1 ZINC001222134770 972384988 /nfs/dbraw/zinc/38/49/88/972384988.db2.gz NRMJXASYENJBSY-JTQLQIEISA-N 1 2 226.276 1.051 20 0 BDADLO Cc1cc(NCC(C)(C)C(N)=O)c[nH+]c1C ZINC001167604550 959038033 /nfs/dbraw/zinc/03/80/33/959038033.db2.gz ASVTUEMYGRCWOI-UHFFFAOYSA-N 1 2 221.304 1.622 20 0 BDADLO Nc1cc(CNc2ncnc(Cl)n2)cc[nH+]1 ZINC001167614002 959067323 /nfs/dbraw/zinc/06/73/23/959067323.db2.gz LTMWNDPKLCJNTO-UHFFFAOYSA-N 1 2 236.666 1.114 20 0 BDADLO Nc1cc(CNc2c[nH]cc3ncnc2-3)cc[nH+]1 ZINC001167617817 959088268 /nfs/dbraw/zinc/08/82/68/959088268.db2.gz VYRVBVCIXNVZRS-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO Nc1cc(CNc2ccc(F)cn2)cc[nH+]1 ZINC001167617429 959088598 /nfs/dbraw/zinc/08/85/98/959088598.db2.gz MPNZEQFGYHDNKP-UHFFFAOYSA-N 1 2 218.235 1.810 20 0 BDADLO CC1(C)C(NC(=O)C[C@H]([NH3+])C(F)F)C1(C)C ZINC000724751990 959360748 /nfs/dbraw/zinc/36/07/48/959360748.db2.gz OEWNSQXGWJBGDH-LURJTMIESA-N 1 2 234.290 1.520 20 0 BDADLO CCCC1(CNC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000724743934 959353897 /nfs/dbraw/zinc/35/38/97/959353897.db2.gz GFDYEODXOUFTGP-QMMMGPOBSA-N 1 2 234.290 1.665 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cc[nH]c1 ZINC000092399602 959975640 /nfs/dbraw/zinc/97/56/40/959975640.db2.gz UENGHZLCGUZNDP-UHFFFAOYSA-N 1 2 210.277 1.400 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cc[nH]c1 ZINC000092399602 959975654 /nfs/dbraw/zinc/97/56/54/959975654.db2.gz UENGHZLCGUZNDP-UHFFFAOYSA-N 1 2 210.277 1.400 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cccc(N)n2)CCO1 ZINC000708879909 960012809 /nfs/dbraw/zinc/01/28/09/960012809.db2.gz HTBUWPQPRPLMDJ-LBPRGKRZSA-N 1 2 235.331 1.521 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cccc(N)n2)CCO1 ZINC000708879909 960012822 /nfs/dbraw/zinc/01/28/22/960012822.db2.gz HTBUWPQPRPLMDJ-LBPRGKRZSA-N 1 2 235.331 1.521 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)CC2CCC2)C1 ZINC001267640317 960158451 /nfs/dbraw/zinc/15/84/51/960158451.db2.gz CZXQVDIXNKKXEO-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Nc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001218822934 960169442 /nfs/dbraw/zinc/16/94/42/960169442.db2.gz ABZFEANJVCOYMY-UHFFFAOYSA-N 1 2 216.244 1.173 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000709059059 960241334 /nfs/dbraw/zinc/24/13/34/960241334.db2.gz FLRRVYIDPAFEQR-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000709059059 960241336 /nfs/dbraw/zinc/24/13/36/960241336.db2.gz FLRRVYIDPAFEQR-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO Cn1cccc1C(=O)C[NH+]1CCC(F)CC1 ZINC000689869967 960323212 /nfs/dbraw/zinc/32/32/12/960323212.db2.gz XOWQNAWBAVNXMC-UHFFFAOYSA-N 1 2 224.279 1.642 20 0 BDADLO C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ncn(C)n1 ZINC000695657960 960326788 /nfs/dbraw/zinc/32/67/88/960326788.db2.gz ZBUOQLCKQJFRPK-YUMQZZPRSA-N 1 2 228.727 1.626 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140605693 960456114 /nfs/dbraw/zinc/45/61/14/960456114.db2.gz INCVQXZUDPSSRR-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140605693 960456121 /nfs/dbraw/zinc/45/61/21/960456121.db2.gz INCVQXZUDPSSRR-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140607618 960459621 /nfs/dbraw/zinc/45/96/21/960459621.db2.gz QMFOSECDOBTOHB-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140607618 960459627 /nfs/dbraw/zinc/45/96/27/960459627.db2.gz QMFOSECDOBTOHB-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3cccnc3C2)o1 ZINC001140682858 960492140 /nfs/dbraw/zinc/49/21/40/960492140.db2.gz LWEFXXJSJVBRIE-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3cccnc3C2)o1 ZINC001140682858 960492145 /nfs/dbraw/zinc/49/21/45/960492145.db2.gz LWEFXXJSJVBRIE-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO OCc1ccc(C[N@@H+]2CCCCC23COC3)o1 ZINC001140682356 960493713 /nfs/dbraw/zinc/49/37/13/960493713.db2.gz YRKDHZFPQLUAPA-UHFFFAOYSA-N 1 2 237.299 1.527 20 0 BDADLO OCc1ccc(C[N@H+]2CCCCC23COC3)o1 ZINC001140682356 960493718 /nfs/dbraw/zinc/49/37/18/960493718.db2.gz YRKDHZFPQLUAPA-UHFFFAOYSA-N 1 2 237.299 1.527 20 0 BDADLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc[nH]c1 ZINC001140706998 960524428 /nfs/dbraw/zinc/52/44/28/960524428.db2.gz SVINAZHKRXOTSS-WCQYABFASA-N 1 2 234.299 1.542 20 0 BDADLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc[nH]c1 ZINC001140706998 960524439 /nfs/dbraw/zinc/52/44/39/960524439.db2.gz SVINAZHKRXOTSS-WCQYABFASA-N 1 2 234.299 1.542 20 0 BDADLO CCn1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cn1 ZINC001327253216 972517329 /nfs/dbraw/zinc/51/73/29/972517329.db2.gz DKINBIHDURXTEK-ONGXEEELSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](C)(CF)C2)n[nH]1 ZINC001203070418 960626933 /nfs/dbraw/zinc/62/69/33/960626933.db2.gz SJSHXHSJCAINJK-LLVKDONJSA-N 1 2 211.284 1.900 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3c(O)cccc3C2)[nH]n1 ZINC001203070155 960628569 /nfs/dbraw/zinc/62/85/69/960628569.db2.gz IZGKYJUSJZIIQV-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCc3c(O)cccc3C2)[nH]n1 ZINC001203070155 960628577 /nfs/dbraw/zinc/62/85/77/960628577.db2.gz IZGKYJUSJZIIQV-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1C ZINC001140862699 960641876 /nfs/dbraw/zinc/64/18/76/960641876.db2.gz IUYBXJGXYXOIOH-LLVKDONJSA-N 1 2 235.331 1.294 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1C ZINC001140862699 960641888 /nfs/dbraw/zinc/64/18/88/960641888.db2.gz IUYBXJGXYXOIOH-LLVKDONJSA-N 1 2 235.331 1.294 20 0 BDADLO Nc1cccc(F)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC001140873113 960660572 /nfs/dbraw/zinc/66/05/72/960660572.db2.gz UDKANDVTAFQFMX-LBPRGKRZSA-N 1 2 242.269 1.314 20 0 BDADLO Nc1cccc(F)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC001140873113 960660584 /nfs/dbraw/zinc/66/05/84/960660584.db2.gz UDKANDVTAFQFMX-LBPRGKRZSA-N 1 2 242.269 1.314 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140887893 960671055 /nfs/dbraw/zinc/67/10/55/960671055.db2.gz HTOLNTYHEUIOQF-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890294 960672273 /nfs/dbraw/zinc/67/22/73/960672273.db2.gz BINFTQWULHYSSH-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890294 960672282 /nfs/dbraw/zinc/67/22/82/960672282.db2.gz BINFTQWULHYSSH-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO C[C@H]1CC[C@@H](COCc2c[nH+]cn2C)O1 ZINC001222588538 960719767 /nfs/dbraw/zinc/71/97/67/960719767.db2.gz ZITUDOATZHLVBV-ONGXEEELSA-N 1 2 210.277 1.504 20 0 BDADLO COC(=O)[C@@]1(C)C[C@@H](OCc2c[nH+]cn2C)C1 ZINC001222601067 960721929 /nfs/dbraw/zinc/72/19/29/960721929.db2.gz XRGQJCGYECYLRJ-KLPPZKSPSA-N 1 2 238.287 1.278 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)n[nH]1 ZINC001203084167 960767081 /nfs/dbraw/zinc/76/70/81/960767081.db2.gz SDHRBYKWNPINPG-JQWIXIFHSA-N 1 2 233.315 1.519 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)n[nH]1 ZINC001203084167 960767094 /nfs/dbraw/zinc/76/70/94/960767094.db2.gz SDHRBYKWNPINPG-JQWIXIFHSA-N 1 2 233.315 1.519 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)n[nH]1 ZINC001203084227 960772264 /nfs/dbraw/zinc/77/22/64/960772264.db2.gz TULQIIJLKJFGBS-NSHDSACASA-N 1 2 207.277 1.272 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)n[nH]1 ZINC001203084227 960772274 /nfs/dbraw/zinc/77/22/74/960772274.db2.gz TULQIIJLKJFGBS-NSHDSACASA-N 1 2 207.277 1.272 20 0 BDADLO C[N@H+](Cc1cc(F)c(O)c(F)c1)C1(C)COC1 ZINC001140990464 960779492 /nfs/dbraw/zinc/77/94/92/960779492.db2.gz AGYDQBWXOYUUBO-UHFFFAOYSA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1cc(F)c(O)c(F)c1)C1(C)COC1 ZINC001140990464 960779505 /nfs/dbraw/zinc/77/95/05/960779505.db2.gz AGYDQBWXOYUUBO-UHFFFAOYSA-N 1 2 243.253 1.891 20 0 BDADLO c1coc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001141004597 960800343 /nfs/dbraw/zinc/80/03/43/960800343.db2.gz HWSMIRWLQAAWIL-GHMZBOCLSA-N 1 2 222.288 1.676 20 0 BDADLO c1coc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001141004597 960800348 /nfs/dbraw/zinc/80/03/48/960800348.db2.gz HWSMIRWLQAAWIL-GHMZBOCLSA-N 1 2 222.288 1.676 20 0 BDADLO COC(=O)[C@H](C)N(C)Cc1ccn2cc[nH+]c2c1 ZINC001141045952 960833843 /nfs/dbraw/zinc/83/38/43/960833843.db2.gz HAVHCYDLJWSFFG-JTQLQIEISA-N 1 2 247.298 1.328 20 0 BDADLO COC1(C)CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141047265 960834880 /nfs/dbraw/zinc/83/48/80/960834880.db2.gz FGGGYKJKSCPAAC-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ocnc2C)C[C@H]1C ZINC001141054025 960847616 /nfs/dbraw/zinc/84/76/16/960847616.db2.gz XGFDPFLJBBTFKP-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ocnc2C)C[C@H]1C ZINC001141054025 960847622 /nfs/dbraw/zinc/84/76/22/960847622.db2.gz XGFDPFLJBBTFKP-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO CCCCc1ncc(C[N@@H+]2CC[C@@H](OC)C2)[nH]1 ZINC001141068027 960862606 /nfs/dbraw/zinc/86/26/06/960862606.db2.gz WBUSCESEQZTALD-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1ncc(C[N@H+]2CC[C@@H](OC)C2)[nH]1 ZINC001141068027 960862608 /nfs/dbraw/zinc/86/26/08/960862608.db2.gz WBUSCESEQZTALD-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO c1cnn(C2CC[NH+](Cc3cocn3)CC2)c1 ZINC001141130651 960882029 /nfs/dbraw/zinc/88/20/29/960882029.db2.gz UMCDORSKUWLQKS-UHFFFAOYSA-N 1 2 232.287 1.708 20 0 BDADLO F[C@@H]1COC2(C1)CC[NH+](Cc1cocn1)CC2 ZINC001141130694 960882256 /nfs/dbraw/zinc/88/22/56/960882256.db2.gz WBPNHPNYRZPWCL-JTQLQIEISA-N 1 2 240.278 1.768 20 0 BDADLO c1cc2c(c(C[N@@H+]3CCCC34COC4)c1)OCO2 ZINC001141956477 961186460 /nfs/dbraw/zinc/18/64/60/961186460.db2.gz HWASJVNFKMHTLH-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO c1cc2c(c(C[N@H+]3CCCC34COC4)c1)OCO2 ZINC001141956477 961186475 /nfs/dbraw/zinc/18/64/75/961186475.db2.gz HWASJVNFKMHTLH-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC001142076303 961243712 /nfs/dbraw/zinc/24/37/12/961243712.db2.gz AHCNUUMUXGDOGN-VIFPVBQESA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC001142076303 961243730 /nfs/dbraw/zinc/24/37/30/961243730.db2.gz AHCNUUMUXGDOGN-VIFPVBQESA-N 1 2 239.706 1.541 20 0 BDADLO CC(C)(C)c1nc[nH]c1C[NH+]1CC(C)(CO)C1 ZINC001142209447 961350509 /nfs/dbraw/zinc/35/05/09/961350509.db2.gz OIPIZHWYSIDYLF-UHFFFAOYSA-N 1 2 237.347 1.521 20 0 BDADLO CS(=O)(=O)c1ccc(NC=[NH2+])c(F)c1 ZINC001167868061 961358511 /nfs/dbraw/zinc/35/85/11/961358511.db2.gz PTFCIDMLASIAFX-UHFFFAOYSA-N 1 2 216.237 1.248 20 0 BDADLO c1nc2cccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)c2[nH]1 ZINC001142687019 961623629 /nfs/dbraw/zinc/62/36/29/961623629.db2.gz MAGNKRVDACJRRG-QWRGUYRKSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2cccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)c2[nH]1 ZINC001142687019 961623648 /nfs/dbraw/zinc/62/36/48/961623648.db2.gz MAGNKRVDACJRRG-QWRGUYRKSA-N 1 2 229.283 1.536 20 0 BDADLO FC1(F)CN(Cc2cccn3cc[nH+]c23)C1 ZINC001142944296 961844575 /nfs/dbraw/zinc/84/45/75/961844575.db2.gz JICODNLNEQWYPK-UHFFFAOYSA-N 1 2 223.226 1.785 20 0 BDADLO CN1CC[N@H+](C/C=C/c2ccccc2)C[C@H]1CO ZINC000687597154 961852957 /nfs/dbraw/zinc/85/29/57/961852957.db2.gz NECDNZJGRRXKMF-PXTSUWAFSA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C/c2ccccc2)C[C@H]1CO ZINC000687597154 961852966 /nfs/dbraw/zinc/85/29/66/961852966.db2.gz NECDNZJGRRXKMF-PXTSUWAFSA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@H+](C/C=C\c2ccccc2)C[C@H]1CO ZINC000687597152 961854189 /nfs/dbraw/zinc/85/41/89/961854189.db2.gz NECDNZJGRRXKMF-KKTNHOPESA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C\c2ccccc2)C[C@H]1CO ZINC000687597152 961854190 /nfs/dbraw/zinc/85/41/90/961854190.db2.gz NECDNZJGRRXKMF-KKTNHOPESA-N 1 2 246.354 1.308 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001268483971 961866882 /nfs/dbraw/zinc/86/68/82/961866882.db2.gz VLBLVALMHCDQNE-GFCCVEGCSA-N 1 2 246.354 1.686 20 0 BDADLO O=C1CCN(Cc2ccc3[nH+]ccn3c2)C[C@@H]1F ZINC001143027590 961869774 /nfs/dbraw/zinc/86/97/74/961869774.db2.gz OZTLRDMAHNNATF-NSHDSACASA-N 1 2 247.273 1.447 20 0 BDADLO COCC[N@H+](CCO)Cc1ncoc1C(C)C ZINC000092795815 961883553 /nfs/dbraw/zinc/88/35/53/961883553.db2.gz MEJPDNWYIBIXQS-UHFFFAOYSA-N 1 2 242.319 1.239 20 0 BDADLO COCC[N@@H+](CCO)Cc1ncoc1C(C)C ZINC000092795815 961883560 /nfs/dbraw/zinc/88/35/60/961883560.db2.gz MEJPDNWYIBIXQS-UHFFFAOYSA-N 1 2 242.319 1.239 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c(N)n1 ZINC001143194784 961926126 /nfs/dbraw/zinc/92/61/26/961926126.db2.gz KTPAERQWKGBUJH-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)c(N)n1 ZINC001143194784 961926156 /nfs/dbraw/zinc/92/61/56/961926156.db2.gz KTPAERQWKGBUJH-SNVBAGLBSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1ccc(CN2CCn3nccc3C2)c(N)[nH+]1 ZINC001143207227 961945449 /nfs/dbraw/zinc/94/54/49/961945449.db2.gz UEMXPXNHNKKLAM-UHFFFAOYSA-N 1 2 243.314 1.185 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cc3cccnc3[nH]2)C1 ZINC001143216661 961956571 /nfs/dbraw/zinc/95/65/71/961956571.db2.gz IVWIOXFIAQUSGN-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cc3cccnc3[nH]2)C1 ZINC001143216661 961956593 /nfs/dbraw/zinc/95/65/93/961956593.db2.gz IVWIOXFIAQUSGN-CYBMUJFWSA-N 1 2 249.289 1.469 20 0 BDADLO CC[C@H]1CN(C(=O)[C@@H](C)n2cc[nH+]c2)CCO1 ZINC000045880553 962079434 /nfs/dbraw/zinc/07/94/34/962079434.db2.gz HZCGVCISKPNOGQ-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2nonc2c1 ZINC001204940830 962116890 /nfs/dbraw/zinc/11/68/90/962116890.db2.gz XFHSRYTZOAPREX-UHFFFAOYSA-N 1 2 200.201 1.623 20 0 BDADLO c1cn2ccc(Nc3cccnn3)cc2[nH+]1 ZINC001204951288 962161717 /nfs/dbraw/zinc/16/17/17/962161717.db2.gz QLOCJYRDMCBWCO-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO FC1CC2(C1)CC[NH+](Cc1cnn[nH]1)CC2 ZINC001203198601 962165005 /nfs/dbraw/zinc/16/50/05/962165005.db2.gz NNGMLLSRWGVIOC-UHFFFAOYSA-N 1 2 224.283 1.519 20 0 BDADLO Cc1nc2ccc(C(=O)NC3C[NH+](C)C3)cc2o1 ZINC001152120961 962389281 /nfs/dbraw/zinc/38/92/81/962389281.db2.gz WRYOYMXWVUAXMA-UHFFFAOYSA-N 1 2 245.282 1.180 20 0 BDADLO O=C(c1c[nH]c2cc[nH+]cc12)N1CC=CC1 ZINC001152969435 962506247 /nfs/dbraw/zinc/50/62/47/962506247.db2.gz PKNBNRHRJCMMNS-UHFFFAOYSA-N 1 2 213.240 1.575 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000924947246 962584582 /nfs/dbraw/zinc/58/45/82/962584582.db2.gz CAIUJAKHNJOPSF-WCBMZHEXSA-N 1 2 248.334 1.269 20 0 BDADLO [NH3+][C@@H]1CN(C[C@H]2CCCCO2)CCC1(F)F ZINC001206648190 962608366 /nfs/dbraw/zinc/60/83/66/962608366.db2.gz MJSLQELUAZZVBA-NXEZZACHSA-N 1 2 234.290 1.224 20 0 BDADLO C[N@@H+]1CCc2nc(C(=O)N3CC=CC3)sc2C1 ZINC001154214327 962735448 /nfs/dbraw/zinc/73/54/48/962735448.db2.gz YIBKCCCJFGDRPW-UHFFFAOYSA-N 1 2 249.339 1.143 20 0 BDADLO C[N@H+]1CCc2nc(C(=O)N3CC=CC3)sc2C1 ZINC001154214327 962735462 /nfs/dbraw/zinc/73/54/62/962735462.db2.gz YIBKCCCJFGDRPW-UHFFFAOYSA-N 1 2 249.339 1.143 20 0 BDADLO CCc1cc(N[C@H]2CCSC2=O)cc[nH+]1 ZINC001167953923 962747570 /nfs/dbraw/zinc/74/75/70/962747570.db2.gz AFQMRLKSQABQND-JTQLQIEISA-N 1 2 222.313 1.510 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1ccc(F)cc1)C2 ZINC001269752907 962786016 /nfs/dbraw/zinc/78/60/16/962786016.db2.gz TWHUDSLBYNSZGN-UHFFFAOYSA-N 1 2 234.274 1.356 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1ccc(F)cc1)C2 ZINC001269752907 962786031 /nfs/dbraw/zinc/78/60/31/962786031.db2.gz TWHUDSLBYNSZGN-UHFFFAOYSA-N 1 2 234.274 1.356 20 0 BDADLO CC/C=C/NC(=O)c1cccc2[nH+]ccn21 ZINC001154525437 962795787 /nfs/dbraw/zinc/79/57/87/962795787.db2.gz FYDMXKIMDYMZDV-XVNBXDOJSA-N 1 2 215.256 1.988 20 0 BDADLO CSc1cc[nH+]c(NCCn2ccnn2)c1 ZINC001154622435 962817401 /nfs/dbraw/zinc/81/74/01/962817401.db2.gz MHUQSHJPHKJVPO-UHFFFAOYSA-N 1 2 235.316 1.507 20 0 BDADLO CCOc1ccc[nH+]c1NCC1COC1 ZINC001154638412 962825233 /nfs/dbraw/zinc/82/52/33/962825233.db2.gz XEIBBEGXTCCECZ-UHFFFAOYSA-N 1 2 208.261 1.539 20 0 BDADLO CCOc1ccc[nH+]c1NC[C@@H]1CCNC(=O)C1 ZINC001154939420 962910908 /nfs/dbraw/zinc/91/09/08/962910908.db2.gz HRVCLAOPOSXMIX-SNVBAGLBSA-N 1 2 249.314 1.418 20 0 BDADLO CCSc1cc[nH+]c(NC2(C(N)=O)CC2)c1 ZINC001155095036 962975654 /nfs/dbraw/zinc/97/56/54/962975654.db2.gz IJDKPFAWJLTECW-UHFFFAOYSA-N 1 2 237.328 1.623 20 0 BDADLO CC(=O)Nc1ccccc1OC1C[NH+](C)C1 ZINC001226051449 962998176 /nfs/dbraw/zinc/99/81/76/962998176.db2.gz YLTRLHBNNZLRGH-UHFFFAOYSA-N 1 2 220.272 1.338 20 0 BDADLO Cc1ccnc(NC[C@@H]2C[N@H+](C)CCO2)c1F ZINC001155196961 963016152 /nfs/dbraw/zinc/01/61/52/963016152.db2.gz QXBCAMQPLKLGDN-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)c1F ZINC001155196961 963016165 /nfs/dbraw/zinc/01/61/65/963016165.db2.gz QXBCAMQPLKLGDN-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206654872 963041467 /nfs/dbraw/zinc/04/14/67/963041467.db2.gz DVWONKYVVZOKIL-SNVBAGLBSA-N 1 2 244.289 1.195 20 0 BDADLO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ncco1 ZINC000925082621 963075493 /nfs/dbraw/zinc/07/54/93/963075493.db2.gz LVBNEHYLWHTNDO-ABKXIKBNSA-N 1 2 244.360 1.872 20 0 BDADLO Cn1cccc1C[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206658105 963154986 /nfs/dbraw/zinc/15/49/86/963154986.db2.gz VABVEKIODPVCSK-JTQLQIEISA-N 1 2 229.274 1.193 20 0 BDADLO Cn1cccc1C[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206658105 963154995 /nfs/dbraw/zinc/15/49/95/963154995.db2.gz VABVEKIODPVCSK-JTQLQIEISA-N 1 2 229.274 1.193 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCOCC12CC2 ZINC001155834496 963180629 /nfs/dbraw/zinc/18/06/29/963180629.db2.gz HQLBSVDZUKETBZ-UHFFFAOYSA-N 1 2 234.299 1.768 20 0 BDADLO CCc1cc(N2CCOCC23CC3)nc(C)[nH+]1 ZINC001155840228 963184078 /nfs/dbraw/zinc/18/40/78/963184078.db2.gz GTXGRYVWJBFEKF-UHFFFAOYSA-N 1 2 233.315 1.717 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cccc(C)n2)c[nH+]1 ZINC001156538028 963380099 /nfs/dbraw/zinc/38/00/99/963380099.db2.gz HZKQFYKSPZVVMZ-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cccc(C)n2)[nH+]1 ZINC001156538028 963380109 /nfs/dbraw/zinc/38/01/09/963380109.db2.gz HZKQFYKSPZVVMZ-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CN1CC[N@H+](Cc2ccoc2)CC1(C)C ZINC000895564837 963433834 /nfs/dbraw/zinc/43/38/34/963433834.db2.gz NUVJJMKPOIXETC-UHFFFAOYSA-N 1 2 208.305 1.806 20 0 BDADLO CN1CC[N@@H+](Cc2ccoc2)CC1(C)C ZINC000895564837 963433840 /nfs/dbraw/zinc/43/38/40/963433840.db2.gz NUVJJMKPOIXETC-UHFFFAOYSA-N 1 2 208.305 1.806 20 0 BDADLO COc1cccnc1NCc1cc[nH+]c(N)c1 ZINC001156756027 963452764 /nfs/dbraw/zinc/45/27/64/963452764.db2.gz OMGNCQQYQFBQGB-UHFFFAOYSA-N 1 2 230.271 1.680 20 0 BDADLO Cc1ncnc(NCc2cc[nH+]c(N)c2)c1C ZINC001156757365 963454207 /nfs/dbraw/zinc/45/42/07/963454207.db2.gz SYNLVLHIMZEUFJ-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO COC/C=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156799863 963466696 /nfs/dbraw/zinc/46/66/96/963466696.db2.gz GMQYPWYSIMTQMM-NSCUHMNNSA-N 1 2 231.255 1.475 20 0 BDADLO COc1cc(C)c[nH+]c1NC(C)(C)CCO ZINC001156913384 963494865 /nfs/dbraw/zinc/49/48/65/963494865.db2.gz ONUXJROIWFKJFE-UHFFFAOYSA-N 1 2 224.304 1.972 20 0 BDADLO CCN(CC)C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156964956 963503404 /nfs/dbraw/zinc/50/34/04/963503404.db2.gz USIBBADZPANGAX-UHFFFAOYSA-N 1 2 232.287 1.627 20 0 BDADLO Nc1[nH]c2cc(C(=O)Nc3ccc[nH]3)ccc2[nH+]1 ZINC001156964221 963503473 /nfs/dbraw/zinc/50/34/73/963503473.db2.gz HIFCHDFITONEKF-UHFFFAOYSA-N 1 2 241.254 1.726 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)CC2COC2)[nH+]1 ZINC001157125260 963536754 /nfs/dbraw/zinc/53/67/54/963536754.db2.gz UMFPWJZAEMWFHQ-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)CC2COC2)c[nH+]1 ZINC001157125260 963536758 /nfs/dbraw/zinc/53/67/58/963536758.db2.gz UMFPWJZAEMWFHQ-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO Cc1cc(Cl)c(C)c(NC2(CO)COC2)[nH+]1 ZINC001157396176 963592735 /nfs/dbraw/zinc/59/27/35/963592735.db2.gz ZFGHQNQLULCRDC-UHFFFAOYSA-N 1 2 242.706 1.525 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCO[C@H](C)C2)CCC1 ZINC001168071530 963599022 /nfs/dbraw/zinc/59/90/22/963599022.db2.gz JADLHQZQVUVCST-ZJUUUORDSA-N 1 2 227.304 1.239 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ncc(F)c(C)n1 ZINC001157462716 963619887 /nfs/dbraw/zinc/61/98/87/963619887.db2.gz WUERKMXJVORYBD-UHFFFAOYSA-N 1 2 249.293 1.647 20 0 BDADLO COCc1cc[nH+]c(NCc2ccc(=O)[nH]c2)c1 ZINC001157511631 963639751 /nfs/dbraw/zinc/63/97/51/963639751.db2.gz BMSHEDOAOWBAJJ-UHFFFAOYSA-N 1 2 245.282 1.941 20 0 BDADLO Nc1[nH+]c(NCC2CC(=O)C2)ccc1Cl ZINC001157611276 963679213 /nfs/dbraw/zinc/67/92/13/963679213.db2.gz OHMJTSVUUWZSHI-UHFFFAOYSA-N 1 2 225.679 1.708 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C2CC2)CC[N@@H+]1Cc1ccon1 ZINC001088439576 963778735 /nfs/dbraw/zinc/77/87/35/963778735.db2.gz KTUPVUDSSPSSGR-SKDRFNHKSA-N 1 2 249.314 1.164 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C2CC2)CC[N@H+]1Cc1ccon1 ZINC001088439576 963778743 /nfs/dbraw/zinc/77/87/43/963778743.db2.gz KTUPVUDSSPSSGR-SKDRFNHKSA-N 1 2 249.314 1.164 20 0 BDADLO CSCc1cc[nH+]c(NCCn2cnnc2)c1 ZINC001158038296 963798653 /nfs/dbraw/zinc/79/86/53/963798653.db2.gz IFWSXLGBBLBSMD-UHFFFAOYSA-N 1 2 249.343 1.648 20 0 BDADLO c1c(CCNc2ccncn2)[nH+]c2ccccn12 ZINC001158142064 963813995 /nfs/dbraw/zinc/81/39/95/963813995.db2.gz GIWCPMBVOCFXLS-UHFFFAOYSA-N 1 2 239.282 1.779 20 0 BDADLO COCc1cc[nH+]c(NCC2OCCO2)c1 ZINC001158198452 963829523 /nfs/dbraw/zinc/82/95/23/963829523.db2.gz OUZDAISWRLUJJZ-UHFFFAOYSA-N 1 2 224.260 1.013 20 0 BDADLO Nc1[nH+]c(NCC2OCCO2)ccc1Cl ZINC001158203232 963831473 /nfs/dbraw/zinc/83/14/73/963831473.db2.gz GQJWFHAGKOUJLA-UHFFFAOYSA-N 1 2 229.667 1.102 20 0 BDADLO CSc1cc[nH+]c(N[C@H]2COC(=O)C2)c1 ZINC001158249191 963839655 /nfs/dbraw/zinc/83/96/55/963839655.db2.gz YXGUTTPYBLEKRU-SSDOTTSWSA-N 1 2 224.285 1.531 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cs1 ZINC001137592377 963854628 /nfs/dbraw/zinc/85/46/28/963854628.db2.gz LNUOFCKSXUZJIU-NXEZZACHSA-N 1 2 210.302 1.506 20 0 BDADLO c1nc(C[N@H+]2CC[C@H]3OCC[C@H]32)cs1 ZINC001137592377 963854631 /nfs/dbraw/zinc/85/46/31/963854631.db2.gz LNUOFCKSXUZJIU-NXEZZACHSA-N 1 2 210.302 1.506 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2occc2n1 ZINC001158706546 963905401 /nfs/dbraw/zinc/90/54/01/963905401.db2.gz ANWUPFUFRDNFPL-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccc2occc2n1 ZINC001158706546 963905407 /nfs/dbraw/zinc/90/54/07/963905407.db2.gz ANWUPFUFRDNFPL-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO Cc1ccc(N2CC3(C2)C[NH+](C)C3)nc1C ZINC001158864277 963946078 /nfs/dbraw/zinc/94/60/78/963946078.db2.gz NZQNUYOUPIFVAP-UHFFFAOYSA-N 1 2 217.316 1.450 20 0 BDADLO Cc1ccc(N2CC3(CN(C)C3)C2)[nH+]c1C ZINC001158864277 963946084 /nfs/dbraw/zinc/94/60/84/963946084.db2.gz NZQNUYOUPIFVAP-UHFFFAOYSA-N 1 2 217.316 1.450 20 0 BDADLO O=S1(=O)CC2(CC(Nc3cccc[nH+]3)C2)C1 ZINC001168204873 963982262 /nfs/dbraw/zinc/98/22/62/963982262.db2.gz BVAIZXSSLIGNDV-UHFFFAOYSA-N 1 2 238.312 1.071 20 0 BDADLO Cc1cc(-c2noc(C[NH+]3CCC3)n2)ccn1 ZINC001212095606 964252953 /nfs/dbraw/zinc/25/29/53/964252953.db2.gz PPQUDKWAFFCOMU-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CC1(F)F ZINC001160600138 964344749 /nfs/dbraw/zinc/34/47/49/964344749.db2.gz PNKAFVWBBDHMEO-SNVBAGLBSA-N 1 2 241.241 1.271 20 0 BDADLO CN(CC1CCCCC1)C(=O)C1(F)C[NH2+]C1 ZINC001160714258 964400535 /nfs/dbraw/zinc/40/05/35/964400535.db2.gz OUOOSJKFLYAGIZ-UHFFFAOYSA-N 1 2 228.311 1.337 20 0 BDADLO C=Cc1ccc(NC[C@@H]2C[C@@H]2C(=O)OC)[nH+]c1 ZINC001161045948 964499836 /nfs/dbraw/zinc/49/98/36/964499836.db2.gz ZMZIAZPZXPXBFK-QWRGUYRKSA-N 1 2 232.283 1.946 20 0 BDADLO CC(=O)NCCNc1ccc([NH+](C)C)c(C)c1 ZINC001161661792 964670640 /nfs/dbraw/zinc/67/06/40/964670640.db2.gz PWYPVVGQSRYVAD-UHFFFAOYSA-N 1 2 235.331 1.609 20 0 BDADLO COCc1cc[nH+]c(NCc2nnc(C)o2)c1 ZINC001161710786 964697874 /nfs/dbraw/zinc/69/78/74/964697874.db2.gz LXYLMZBVRMUIQX-UHFFFAOYSA-N 1 2 234.259 1.532 20 0 BDADLO Cc1cccc2c(C)cc(NC(CO)CO)[nH+]c12 ZINC001161745713 964729487 /nfs/dbraw/zinc/72/94/87/964729487.db2.gz USSIZLZJQULVPS-UHFFFAOYSA-N 1 2 246.310 1.617 20 0 BDADLO CC(C)Oc1cc(N[C@H](CO)[C@@H](C)O)cc[nH+]1 ZINC001161779425 964754863 /nfs/dbraw/zinc/75/48/63/964754863.db2.gz RUBGSPVMXKBSMP-MWLCHTKSSA-N 1 2 240.303 1.022 20 0 BDADLO Cc1ncncc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001161877700 964804646 /nfs/dbraw/zinc/80/46/46/964804646.db2.gz MFTKVHKCLRIHDR-RKDXNWHRSA-N 1 2 243.270 1.250 20 0 BDADLO Cc1ncncc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001161877700 964804650 /nfs/dbraw/zinc/80/46/50/964804650.db2.gz MFTKVHKCLRIHDR-RKDXNWHRSA-N 1 2 243.270 1.250 20 0 BDADLO c1ccn(-c2ccc[nH+]c2NCC2COC2)c1 ZINC001161945824 964830809 /nfs/dbraw/zinc/83/08/09/964830809.db2.gz IHLFGOKTZHHPSC-UHFFFAOYSA-N 1 2 229.283 1.931 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@]12CCOC2 ZINC001162177647 964859918 /nfs/dbraw/zinc/85/99/18/964859918.db2.gz DXVAMESCRQCFED-ZDUSSCGKSA-N 1 2 249.314 1.055 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@]12CCOC2 ZINC001162177645 964862002 /nfs/dbraw/zinc/86/20/02/964862002.db2.gz DXVAMESCRQCFED-CYBMUJFWSA-N 1 2 249.314 1.055 20 0 BDADLO Cc1oncc1C[NH2+]c1cccc(=O)n1C ZINC001162272072 964900026 /nfs/dbraw/zinc/90/00/26/964900026.db2.gz AYYBGADOLAGCDC-UHFFFAOYSA-N 1 2 219.244 1.294 20 0 BDADLO Cc1oncc1C[NH2+]c1ccc2[nH]c(=O)cc-2[nH]1 ZINC001162272930 964901310 /nfs/dbraw/zinc/90/13/10/964901310.db2.gz RAEPRMIAGVZSSE-UHFFFAOYSA-N 1 2 244.254 1.485 20 0 BDADLO CN(C)c1cc(NC[C@@H](F)C(C)(C)O)[nH+]cn1 ZINC001162408585 964967213 /nfs/dbraw/zinc/96/72/13/964967213.db2.gz NYGSUMXMOKOYRW-MRVPVSSYSA-N 1 2 242.298 1.064 20 0 BDADLO CN(C)c1cc(NC[C@@H](F)C(C)(C)O)nc[nH+]1 ZINC001162408585 964967219 /nfs/dbraw/zinc/96/72/19/964967219.db2.gz NYGSUMXMOKOYRW-MRVPVSSYSA-N 1 2 242.298 1.064 20 0 BDADLO Cn1c[nH+]c2ccc(NC3(C(N)=O)CC3)cc21 ZINC001162547941 965034543 /nfs/dbraw/zinc/03/45/43/965034543.db2.gz OAFPASPGBJYLQQ-UHFFFAOYSA-N 1 2 230.271 1.003 20 0 BDADLO COC(=O)Cc1ccc(NCC2CC(=O)C2)[nH+]c1 ZINC001168387945 965114974 /nfs/dbraw/zinc/11/49/74/965114974.db2.gz BFOLSKZVYKDZJG-UHFFFAOYSA-N 1 2 248.282 1.188 20 0 BDADLO CCN(C)c1cc(NCc2cccn2C)[nH+]cn1 ZINC001162704593 965131386 /nfs/dbraw/zinc/13/13/86/965131386.db2.gz WGYKJKMRVMJDDJ-UHFFFAOYSA-N 1 2 245.330 1.883 20 0 BDADLO CCN(C)c1cc(NCc2cccn2C)nc[nH+]1 ZINC001162704593 965131391 /nfs/dbraw/zinc/13/13/91/965131391.db2.gz WGYKJKMRVMJDDJ-UHFFFAOYSA-N 1 2 245.330 1.883 20 0 BDADLO COC1CC(CNc2cc(N(C)C)nc[nH+]2)C1 ZINC001162986274 965215382 /nfs/dbraw/zinc/21/53/82/965215382.db2.gz PLMBDVGCJCIPGP-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO COC1CC(CNc2cc(N(C)C)[nH+]cn2)C1 ZINC001162986274 965215388 /nfs/dbraw/zinc/21/53/88/965215388.db2.gz PLMBDVGCJCIPGP-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO CC[C@H](CO)Nc1ccc(Cl)c(N)[nH+]1 ZINC001163049878 965248049 /nfs/dbraw/zinc/24/80/49/965248049.db2.gz HVQCINDLHALUCV-ZCFIWIBFSA-N 1 2 215.684 1.500 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)F ZINC001483623190 965269325 /nfs/dbraw/zinc/26/93/25/965269325.db2.gz HAHPXILMRAIXQG-UWVGGRQHSA-N 1 2 248.317 1.673 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)F ZINC001483623190 965269338 /nfs/dbraw/zinc/26/93/38/965269338.db2.gz HAHPXILMRAIXQG-UWVGGRQHSA-N 1 2 248.317 1.673 20 0 BDADLO Nc1cc(N[C@H]2CCCc3ccncc32)[nH+]cn1 ZINC001163168303 965276686 /nfs/dbraw/zinc/27/66/86/965276686.db2.gz VAUNPHKBZGUATF-NSHDSACASA-N 1 2 241.298 1.943 20 0 BDADLO Cc1[nH]c(CN(C2CC2)C2COC2)c[nH+]1 ZINC001232463803 965356253 /nfs/dbraw/zinc/35/62/53/965356253.db2.gz ODBNTMKLLNJFSO-UHFFFAOYSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1[nH]cc(CN(C2CC2)C2COC2)[nH+]1 ZINC001232463803 965356264 /nfs/dbraw/zinc/35/62/64/965356264.db2.gz ODBNTMKLLNJFSO-UHFFFAOYSA-N 1 2 207.277 1.081 20 0 BDADLO Fc1ccnc(C[NH+]2CC3(CSC3)C2)c1 ZINC001232497319 965368699 /nfs/dbraw/zinc/36/86/99/965368699.db2.gz DHMSQINTOVELTG-UHFFFAOYSA-N 1 2 224.304 1.770 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2ccc(C)c(C)n2)[nH]n1 ZINC001163508531 965422176 /nfs/dbraw/zinc/42/21/76/965422176.db2.gz WDXVKUIRCYRZFD-UHFFFAOYSA-N 1 2 244.302 1.762 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2ncnc(C)c2C)n[nH]1 ZINC001163507813 965422922 /nfs/dbraw/zinc/42/29/22/965422922.db2.gz FCXAHRFDWUKLGG-UHFFFAOYSA-N 1 2 245.290 1.157 20 0 BDADLO c1cn2c(cccc2NC2=CCOC2)[nH+]1 ZINC001203381108 965425044 /nfs/dbraw/zinc/42/50/44/965425044.db2.gz XARLBVNMFRLGAS-UHFFFAOYSA-N 1 2 201.229 1.660 20 0 BDADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC1 ZINC001163537910 965432754 /nfs/dbraw/zinc/43/27/54/965432754.db2.gz VFEUSTXZHHIZHQ-SNAWJCMRSA-N 1 2 232.283 1.786 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968411 965444048 /nfs/dbraw/zinc/44/40/48/965444048.db2.gz ABHULSCAKHPJNM-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968411 965444053 /nfs/dbraw/zinc/44/40/53/965444053.db2.gz ABHULSCAKHPJNM-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1nc2ccccn2n1 ZINC001233067871 965474018 /nfs/dbraw/zinc/47/40/18/965474018.db2.gz HJJIOHXWIWEDMI-QWRGUYRKSA-N 1 2 246.314 1.075 20 0 BDADLO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1nc2ccccn2n1 ZINC001233067871 965474029 /nfs/dbraw/zinc/47/40/29/965474029.db2.gz HJJIOHXWIWEDMI-QWRGUYRKSA-N 1 2 246.314 1.075 20 0 BDADLO O=C1NC(=O)[C@H](Nc2ccc3[nH]c[nH+]c3c2)S1 ZINC001163671425 965499624 /nfs/dbraw/zinc/49/96/24/965499624.db2.gz FCYZTTUDYYVWOQ-SECBINFHSA-N 1 2 248.267 1.284 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC2(CC(O)C2)C1 ZINC001163737978 965556228 /nfs/dbraw/zinc/55/62/28/965556228.db2.gz GPPSAWMWQJWRNS-UHFFFAOYSA-N 1 2 234.299 1.360 20 0 BDADLO CC(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001483711170 965565160 /nfs/dbraw/zinc/56/51/60/965565160.db2.gz HAKMYXMANBVNEW-UHFFFAOYSA-N 1 2 249.314 1.310 20 0 BDADLO C[NH+]1CCN(c2cccc(N3CC=CC3)[nH+]2)CC1 ZINC001163919362 965634018 /nfs/dbraw/zinc/63/40/18/965634018.db2.gz YXLMVCGMBCFEBK-UHFFFAOYSA-N 1 2 244.342 1.210 20 0 BDADLO C[C@H]1CN(c2ccc(Cl)c(N)[nH+]2)CCCO1 ZINC001163966572 965666865 /nfs/dbraw/zinc/66/68/65/965666865.db2.gz PJYIXUDARDOUIR-QMMMGPOBSA-N 1 2 241.722 1.932 20 0 BDADLO Cc1nonc1CNc1ccc2[nH+]cn(C)c2c1 ZINC001164059672 965721161 /nfs/dbraw/zinc/72/11/61/965721161.db2.gz XEQLUTZTRWGEQR-UHFFFAOYSA-N 1 2 243.270 1.877 20 0 BDADLO Nc1ccc(N2CCCC(=O)[C@H](F)C2)[nH+]c1 ZINC001164132215 965753319 /nfs/dbraw/zinc/75/33/19/965753319.db2.gz DNDDEEBYKKHGFP-SECBINFHSA-N 1 2 223.251 1.171 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@@H](C)C[C@H]1CO ZINC001164152414 965753607 /nfs/dbraw/zinc/75/36/07/965753607.db2.gz LYFPXWNGAAMLHL-WPRPVWTQSA-N 1 2 224.279 1.736 20 0 BDADLO C[C@@]1(CO)CCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001164149024 965760341 /nfs/dbraw/zinc/76/03/41/965760341.db2.gz XGNSPRQFVWCNDJ-LLVKDONJSA-N 1 2 241.722 1.526 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2cnc(C)c(C)c2)C[NH2+]1 ZINC001164305214 965838773 /nfs/dbraw/zinc/83/87/73/965838773.db2.gz QHTHEOCJTPDWSA-RYUDHWBXSA-N 1 2 249.314 1.014 20 0 BDADLO CCOC(=O)/C=C/C[N@H+](C)Cc1cnccn1 ZINC000699508331 965930482 /nfs/dbraw/zinc/93/04/82/965930482.db2.gz DXOVAHPSNKRAJT-SNAWJCMRSA-N 1 2 235.287 1.028 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+](C)Cc1cnccn1 ZINC000699508331 965930500 /nfs/dbraw/zinc/93/05/00/965930500.db2.gz DXOVAHPSNKRAJT-SNAWJCMRSA-N 1 2 235.287 1.028 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+](C)Cc1cnccn1 ZINC000699508388 965932353 /nfs/dbraw/zinc/93/23/53/965932353.db2.gz GDIGHFXGDMSAIV-WMZJFQQLSA-N 1 2 235.287 1.028 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+](C)Cc1cnccn1 ZINC000699508388 965932367 /nfs/dbraw/zinc/93/23/67/965932367.db2.gz GDIGHFXGDMSAIV-WMZJFQQLSA-N 1 2 235.287 1.028 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)OC ZINC000699576347 965999630 /nfs/dbraw/zinc/99/96/30/965999630.db2.gz WROJEBZQSQLOPF-OUAUKWLOSA-N 1 2 229.320 1.343 20 0 BDADLO CCCNc1cc(N[C@@H]2COC[C@H]2C)nc[nH+]1 ZINC000699873669 966151554 /nfs/dbraw/zinc/15/15/54/966151554.db2.gz IWLCSZUUUQRTLM-NXEZZACHSA-N 1 2 236.319 1.745 20 0 BDADLO CCCNc1cc(N[C@@H]2COC[C@H]2C)[nH+]cn1 ZINC000699873669 966151573 /nfs/dbraw/zinc/15/15/73/966151573.db2.gz IWLCSZUUUQRTLM-NXEZZACHSA-N 1 2 236.319 1.745 20 0 BDADLO C[C@@H](CCO)Nc1ccc(N(C)C)c[nH+]1 ZINC001165938159 966209006 /nfs/dbraw/zinc/20/90/06/966209006.db2.gz MHYQEMRGQXWHIX-VIFPVBQESA-N 1 2 209.293 1.330 20 0 BDADLO Fc1c[nH+]ccc1NC1(c2cccnn2)CC1 ZINC001168515076 966218103 /nfs/dbraw/zinc/21/81/03/966218103.db2.gz YDRCVMOIHZFLPR-UHFFFAOYSA-N 1 2 230.246 1.534 20 0 BDADLO CN(c1ccc(Cn2cncn2)c[nH+]1)C(C)(C)C ZINC001166528233 966286633 /nfs/dbraw/zinc/28/66/33/966286633.db2.gz LKXHOGLDPXLHTQ-UHFFFAOYSA-N 1 2 245.330 1.956 20 0 BDADLO Nc1[nH+]c(N2CC[C@H](CO)C2)ccc1Cl ZINC001166550219 966293972 /nfs/dbraw/zinc/29/39/72/966293972.db2.gz AFEQJKDUFQJCKR-ZETCQYMHSA-N 1 2 227.695 1.136 20 0 BDADLO C[C@H]1C(=O)NCCN1c1[nH+]ccc2ccccc21 ZINC001166558055 966302975 /nfs/dbraw/zinc/30/29/75/966302975.db2.gz TWKOSOBUQSWDKF-JTQLQIEISA-N 1 2 241.294 1.560 20 0 BDADLO Cn1c[nH+]c2ccc(N[C@H]3CCN(C)C3=O)cc21 ZINC001166666270 966360339 /nfs/dbraw/zinc/36/03/39/966360339.db2.gz NVAGXASHWSRUGC-NSHDSACASA-N 1 2 244.298 1.216 20 0 BDADLO Cc1cc(-c2ccc(N)nc2)c[nH+]c1N ZINC001236312902 966362037 /nfs/dbraw/zinc/36/20/37/966362037.db2.gz BKLLROKJPKZMIN-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO Cc1nc(N2C[C@@H]3C[C@H]2CO3)c2c([nH+]1)CCC2 ZINC001166757059 966396559 /nfs/dbraw/zinc/39/65/59/966396559.db2.gz ZWHVEXMSFDVBHW-UWVGGRQHSA-N 1 2 231.299 1.251 20 0 BDADLO c1cc2nonc2c(C[N@@H+]2CCOCC23CC3)c1 ZINC001203139985 966529743 /nfs/dbraw/zinc/52/97/43/966529743.db2.gz JMGNYZNVKVCDAP-UHFFFAOYSA-N 1 2 245.282 1.588 20 0 BDADLO c1cc2nonc2c(C[N@H+]2CCOCC23CC3)c1 ZINC001203139985 966529750 /nfs/dbraw/zinc/52/97/50/966529750.db2.gz JMGNYZNVKVCDAP-UHFFFAOYSA-N 1 2 245.282 1.588 20 0 BDADLO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cn[nH]n1 ZINC001203205891 966544182 /nfs/dbraw/zinc/54/41/82/966544182.db2.gz IAMCUPLELOIGSY-JTQLQIEISA-N 1 2 224.308 1.194 20 0 BDADLO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cn[nH]n1 ZINC001203205891 966544188 /nfs/dbraw/zinc/54/41/88/966544188.db2.gz IAMCUPLELOIGSY-JTQLQIEISA-N 1 2 224.308 1.194 20 0 BDADLO Cc1cnc(F)c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC001127645064 966549690 /nfs/dbraw/zinc/54/96/90/966549690.db2.gz VMNGGYPJOJWEDO-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO Cn1cccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001203265384 966592317 /nfs/dbraw/zinc/59/23/17/966592317.db2.gz HANCRYQVNQKARE-NSHDSACASA-N 1 2 237.322 1.253 20 0 BDADLO Cn1cccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001203265384 966592325 /nfs/dbraw/zinc/59/23/25/966592325.db2.gz HANCRYQVNQKARE-NSHDSACASA-N 1 2 237.322 1.253 20 0 BDADLO Cc1ccc(Nc2ncn(C)n2)c(C)[nH+]1 ZINC001203363007 966612141 /nfs/dbraw/zinc/61/21/41/966612141.db2.gz KDKJQSAFBSZKEA-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO CNc1ccc(Nc2cn(C)nc2OC)c[nH+]1 ZINC001203446495 966647709 /nfs/dbraw/zinc/64/77/09/966647709.db2.gz BAPOLZUYJGUBGM-UHFFFAOYSA-N 1 2 233.275 1.609 20 0 BDADLO CNc1ccc(Nc2scnc2C(N)=O)c[nH+]1 ZINC001203449960 966653887 /nfs/dbraw/zinc/65/38/87/966653887.db2.gz PHADQVKZIKLBCF-UHFFFAOYSA-N 1 2 249.299 1.422 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC001237648322 966680938 /nfs/dbraw/zinc/68/09/38/966680938.db2.gz GFYXUDQGKXRKNN-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC001237648322 966680944 /nfs/dbraw/zinc/68/09/44/966680944.db2.gz GFYXUDQGKXRKNN-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO CCc1n[nH]cc1C[N@H+](C)Cc1ccccn1 ZINC001237652863 966688746 /nfs/dbraw/zinc/68/87/46/966688746.db2.gz ZNZPDISKRNTCMA-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](C)Cc1ccccn1 ZINC001237652863 966688754 /nfs/dbraw/zinc/68/87/54/966688754.db2.gz ZNZPDISKRNTCMA-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnn(C)c2C(N)=O)c1 ZINC001203654603 966719293 /nfs/dbraw/zinc/71/92/93/966719293.db2.gz MFHONNMEZNYXAQ-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO Cc1nc(NC/C=C/CNC(=O)C(C)C)cc[nH+]1 ZINC001107046337 966733162 /nfs/dbraw/zinc/73/31/62/966733162.db2.gz XBRYBONEXSKVRP-SNAWJCMRSA-N 1 2 248.330 1.525 20 0 BDADLO COc1cc(C)c(C[NH+]2CC(O)C2)cc1C ZINC001203752978 966773322 /nfs/dbraw/zinc/77/33/22/966773322.db2.gz UQFMJLLMHJGVQE-UHFFFAOYSA-N 1 2 221.300 1.489 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690285365 966781633 /nfs/dbraw/zinc/78/16/33/966781633.db2.gz LHYIMSXPDTZDDZ-NEPJUHHUSA-N 1 2 241.331 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690285365 966781638 /nfs/dbraw/zinc/78/16/38/966781638.db2.gz LHYIMSXPDTZDDZ-NEPJUHHUSA-N 1 2 241.331 1.441 20 0 BDADLO C/C=C(\C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107674803 966818099 /nfs/dbraw/zinc/81/80/99/966818099.db2.gz SHYVAXBAKUGDHF-NAZIUFLLSA-N 1 2 248.330 1.668 20 0 BDADLO c1nocc1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC001239161049 966834481 /nfs/dbraw/zinc/83/44/81/966834481.db2.gz BDHWJSQJHKRBDG-UHFFFAOYSA-N 1 2 245.282 1.569 20 0 BDADLO COC(=O)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000929220887 966850367 /nfs/dbraw/zinc/85/03/67/966850367.db2.gz ACFKCSPYLXXOQY-JTQLQIEISA-N 1 2 249.314 1.423 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1cccs1 ZINC001204018986 966855512 /nfs/dbraw/zinc/85/55/12/966855512.db2.gz WDIZYCSRJIDRQS-SNVBAGLBSA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1cccs1 ZINC001204018986 966855517 /nfs/dbraw/zinc/85/55/17/966855517.db2.gz WDIZYCSRJIDRQS-SNVBAGLBSA-N 1 2 227.329 1.595 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1F ZINC001204034215 966861063 /nfs/dbraw/zinc/86/10/63/966861063.db2.gz CWGNHRPPTSWGDH-UWVGGRQHSA-N 1 2 215.293 1.917 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1F ZINC001204034215 966861067 /nfs/dbraw/zinc/86/10/67/966861067.db2.gz CWGNHRPPTSWGDH-UWVGGRQHSA-N 1 2 215.293 1.917 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccncc1 ZINC001204081457 966884843 /nfs/dbraw/zinc/88/48/43/966884843.db2.gz PPYKLMLGPJPJKG-LBPRGKRZSA-N 1 2 236.315 1.711 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccncc1 ZINC001204081457 966884844 /nfs/dbraw/zinc/88/48/44/966884844.db2.gz PPYKLMLGPJPJKG-LBPRGKRZSA-N 1 2 236.315 1.711 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1ccc(F)c(F)c1)C2 ZINC001204223817 966928805 /nfs/dbraw/zinc/92/88/05/966928805.db2.gz KEZNNOZSDOOQKW-UHFFFAOYSA-N 1 2 239.265 1.922 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001204228134 966931416 /nfs/dbraw/zinc/93/14/16/966931416.db2.gz UBPACBCYHKVTHM-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001204228134 966931426 /nfs/dbraw/zinc/93/14/26/966931426.db2.gz UBPACBCYHKVTHM-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccoc3)[C@H]2C1 ZINC001204241916 966938729 /nfs/dbraw/zinc/93/87/29/966938729.db2.gz LSGQSVVIRJPVBI-RWMBFGLXSA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccoc3)[C@H]2C1 ZINC001204241916 966938734 /nfs/dbraw/zinc/93/87/34/966938734.db2.gz LSGQSVVIRJPVBI-RWMBFGLXSA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc2nccn2c1 ZINC001143018507 966949553 /nfs/dbraw/zinc/94/95/53/966949553.db2.gz LBSWIKXQVFOTCD-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc2nccn2c1 ZINC001143018507 966949563 /nfs/dbraw/zinc/94/95/63/966949563.db2.gz LBSWIKXQVFOTCD-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1csc(C[N@@H+]2CCOC[C@](C)(O)C2)n1 ZINC001204374763 966984849 /nfs/dbraw/zinc/98/48/49/966984849.db2.gz QZAPOZIFQHZKBL-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1csc(C[N@H+]2CCOC[C@](C)(O)C2)n1 ZINC001204374763 966984853 /nfs/dbraw/zinc/98/48/53/966984853.db2.gz QZAPOZIFQHZKBL-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3nccn3c2)[C@@H](C)CO1 ZINC001143034837 966991143 /nfs/dbraw/zinc/99/11/43/966991143.db2.gz AAFHFEBWMQNOOX-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3nccn3c2)[C@@H](C)CO1 ZINC001143034837 966991152 /nfs/dbraw/zinc/99/11/52/966991152.db2.gz AAFHFEBWMQNOOX-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1c(C[N@@H+]2CCc3occc3C2)cnn1C ZINC001204571863 967055110 /nfs/dbraw/zinc/05/51/10/967055110.db2.gz GSQNTEUFKRTTGX-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1c(C[N@H+]2CCc3occc3C2)cnn1C ZINC001204571863 967055123 /nfs/dbraw/zinc/05/51/23/967055123.db2.gz GSQNTEUFKRTTGX-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1c2cc(N)ccc2nn1-c1ccc[nH+]c1N ZINC001212402133 967055126 /nfs/dbraw/zinc/05/51/26/967055126.db2.gz SOQAQRNIDFQVJE-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO CCOC(=O)CCCc1ccc[nH+]c1N ZINC001249975366 967219224 /nfs/dbraw/zinc/21/92/24/967219224.db2.gz UHPDERXWNBYJEH-UHFFFAOYSA-N 1 2 208.261 1.550 20 0 BDADLO Nc1cn[nH]c(=O)c1Nc1ccn2cc[nH+]c2c1 ZINC001204959851 967262688 /nfs/dbraw/zinc/26/26/88/967262688.db2.gz XNVGYVSZKGRBHY-UHFFFAOYSA-N 1 2 242.242 1.156 20 0 BDADLO Cc1[nH+]cn(-c2ccc(-c3cn[nH]c3)nn2)c1C ZINC001240240379 967454251 /nfs/dbraw/zinc/45/42/51/967454251.db2.gz PXCJXPGWVFAHGB-UHFFFAOYSA-N 1 2 240.270 1.669 20 0 BDADLO COc1ccc(O)cc1CC[NH+]1CCOCC1 ZINC001250275000 967602424 /nfs/dbraw/zinc/60/24/24/967602424.db2.gz AWEAZSOFTCGSLU-UHFFFAOYSA-N 1 2 237.299 1.276 20 0 BDADLO COc1cc[nH+]cc1CC(=O)N1CCCC1 ZINC001250290333 967624286 /nfs/dbraw/zinc/62/42/86/967624286.db2.gz GWKYIPHGXQTBCY-UHFFFAOYSA-N 1 2 220.272 1.255 20 0 BDADLO COc1ccc(Cl)cc1C[NH+]1CC(CO)C1 ZINC000084989547 967637575 /nfs/dbraw/zinc/63/75/75/967637575.db2.gz HNTAOTVQEBNQFC-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO CCn1cc(CCn2cc[nH+]c2)ccc1=O ZINC001250318669 967693945 /nfs/dbraw/zinc/69/39/45/967693945.db2.gz JWJTVFNIVPDEBV-UHFFFAOYSA-N 1 2 217.272 1.307 20 0 BDADLO CCOC(=O)c1ccc(CCn2cc[nH+]c2)cn1 ZINC001250320128 967696734 /nfs/dbraw/zinc/69/67/34/967696734.db2.gz IETLPJDRANUJAV-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1cnc(F)cc1CCn1cc[nH+]c1 ZINC001250320134 967697105 /nfs/dbraw/zinc/69/71/05/967697105.db2.gz YTMCMOMBDNVXGW-UHFFFAOYSA-N 1 2 205.236 1.968 20 0 BDADLO CN1Cc2c(cccc2CCn2cc[nH+]c2)C1=O ZINC001250321248 967699859 /nfs/dbraw/zinc/69/98/59/967699859.db2.gz YTRVODKEGXDPOU-UHFFFAOYSA-N 1 2 241.294 1.711 20 0 BDADLO c1cn(CCc2ccc3nncn3c2)c[nH+]1 ZINC001250321289 967700215 /nfs/dbraw/zinc/70/02/15/967700215.db2.gz ZVKOSXPZXYTCGX-UHFFFAOYSA-N 1 2 213.244 1.169 20 0 BDADLO c1nocc1C[N@@H+]1CCc2cnccc2C1 ZINC001205670729 967753230 /nfs/dbraw/zinc/75/32/30/967753230.db2.gz TXHNMYDPPZPKOL-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO c1nocc1C[N@H+]1CCc2cnccc2C1 ZINC001205670729 967753236 /nfs/dbraw/zinc/75/32/36/967753236.db2.gz TXHNMYDPPZPKOL-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO Cc1noc(Cc2ccc3[nH+]ccn3c2)n1 ZINC001250355877 967762596 /nfs/dbraw/zinc/76/25/96/967762596.db2.gz JAUAIZAFPNANPR-UHFFFAOYSA-N 1 2 214.228 1.617 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001205769356 967812271 /nfs/dbraw/zinc/81/22/71/967812271.db2.gz FNYMJRIULDLRPM-NSHDSACASA-N 1 2 236.290 1.893 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001205769356 967812272 /nfs/dbraw/zinc/81/22/72/967812272.db2.gz FNYMJRIULDLRPM-NSHDSACASA-N 1 2 236.290 1.893 20 0 BDADLO OCCCC[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001205797024 967823874 /nfs/dbraw/zinc/82/38/74/967823874.db2.gz XRGAZBBJWOPMLV-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO OCCCC[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001205797024 967823880 /nfs/dbraw/zinc/82/38/80/967823880.db2.gz XRGAZBBJWOPMLV-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)C[C@@H](C)CC)C1 ZINC001494377019 968013172 /nfs/dbraw/zinc/01/31/72/968013172.db2.gz GJTNNFWSKWWKRA-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO Cn1ccc(Nc2cccc3[nH+]ccn32)cc1=O ZINC001206071471 968038565 /nfs/dbraw/zinc/03/85/65/968038565.db2.gz SODKMUAFKQEPEK-UHFFFAOYSA-N 1 2 240.266 1.777 20 0 BDADLO Cn1ccc(Nc2cccn3cc[nH+]c23)cc1=O ZINC001206077678 968044078 /nfs/dbraw/zinc/04/40/78/968044078.db2.gz MAISRCGTLBUWFC-UHFFFAOYSA-N 1 2 240.266 1.777 20 0 BDADLO Cc1nocc1C[NH+]1CC(C(F)F)C1 ZINC001206186092 968116167 /nfs/dbraw/zinc/11/61/67/968116167.db2.gz ITBPAQIGRJGWIW-UHFFFAOYSA-N 1 2 202.204 1.680 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206221774 968150359 /nfs/dbraw/zinc/15/03/59/968150359.db2.gz JXXJXAGNSQSLDK-SECBINFHSA-N 1 2 248.252 1.184 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206221774 968150367 /nfs/dbraw/zinc/15/03/67/968150367.db2.gz JXXJXAGNSQSLDK-SECBINFHSA-N 1 2 248.252 1.184 20 0 BDADLO Cn1cnc(C[NH+]2CC(c3cccnc3)C2)c1 ZINC001206236950 968158328 /nfs/dbraw/zinc/15/83/28/968158328.db2.gz HLPYYYHDVUXZKP-UHFFFAOYSA-N 1 2 228.299 1.415 20 0 BDADLO CC1(F)CN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001164589138 968253044 /nfs/dbraw/zinc/25/30/44/968253044.db2.gz OXNLHKVBBDHPQO-UHFFFAOYSA-N 1 2 247.277 1.270 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnn1C ZINC001206354973 968255593 /nfs/dbraw/zinc/25/55/93/968255593.db2.gz DOILYEMGDAXMJA-LBPRGKRZSA-N 1 2 221.304 1.364 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC001206354973 968255602 /nfs/dbraw/zinc/25/56/02/968255602.db2.gz DOILYEMGDAXMJA-LBPRGKRZSA-N 1 2 221.304 1.364 20 0 BDADLO C[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001251288674 968281129 /nfs/dbraw/zinc/28/11/29/968281129.db2.gz HMSMNKCBGFWYPX-UWVGGRQHSA-N 1 2 221.304 1.606 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1noc(C)n1 ZINC001119245445 968291894 /nfs/dbraw/zinc/29/18/94/968291894.db2.gz PVQZJWXYLJFVSB-XLPZGREQSA-N 1 2 213.281 1.452 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C ZINC001251586121 968294140 /nfs/dbraw/zinc/29/41/40/968294140.db2.gz NHHCHVDWBSNWBX-SECBINFHSA-N 1 2 233.275 1.423 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC001119309557 968322675 /nfs/dbraw/zinc/32/26/75/968322675.db2.gz YJWVSKLFNXKESG-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC001119309557 968322683 /nfs/dbraw/zinc/32/26/83/968322683.db2.gz YJWVSKLFNXKESG-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@H](CO)C1 ZINC001166551144 968327146 /nfs/dbraw/zinc/32/71/46/968327146.db2.gz FBWSFRMSPJLGHR-JTQLQIEISA-N 1 2 222.288 1.217 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)cnc1C ZINC001119316642 968328992 /nfs/dbraw/zinc/32/89/92/968328992.db2.gz ABCHPHKVVFNMKP-SNVBAGLBSA-N 1 2 237.328 1.299 20 0 BDADLO CONC(=O)NCc1c[nH+]c(C)cc1C ZINC001251862495 968369265 /nfs/dbraw/zinc/36/92/65/968369265.db2.gz XYNORDDDOZXLAS-UHFFFAOYSA-N 1 2 209.249 1.059 20 0 BDADLO C[C@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001251964549 968405066 /nfs/dbraw/zinc/40/50/66/968405066.db2.gz ORJLFDHAHCCMOW-QMMMGPOBSA-N 1 2 205.261 1.366 20 0 BDADLO O[C@H](C[NH+]1CC2(C1)CCCCO2)c1ccccc1 ZINC001251984169 968424013 /nfs/dbraw/zinc/42/40/13/968424013.db2.gz APDVFMFFYQOOFX-CQSZACIVSA-N 1 2 247.338 1.975 20 0 BDADLO O[C@H](C[N@@H+]1CCC12COC2)c1ccccc1 ZINC001251989216 968428069 /nfs/dbraw/zinc/42/80/69/968428069.db2.gz SPSOGHVNZFALKW-GFCCVEGCSA-N 1 2 219.284 1.195 20 0 BDADLO O[C@H](C[N@H+]1CCC12COC2)c1ccccc1 ZINC001251989216 968428076 /nfs/dbraw/zinc/42/80/76/968428076.db2.gz SPSOGHVNZFALKW-GFCCVEGCSA-N 1 2 219.284 1.195 20 0 BDADLO C[C@H](C(=O)N=S1(=O)CCCC1)n1cc[nH+]c1 ZINC001119631632 968443435 /nfs/dbraw/zinc/44/34/35/968443435.db2.gz AGSKNYSNKNFVFR-SECBINFHSA-N 1 2 241.316 1.233 20 0 BDADLO CC1(C[NH3+])C[NH+](Cc2sccc2C(=O)[O-])C1 ZINC001206729770 968444859 /nfs/dbraw/zinc/44/48/59/968444859.db2.gz KANIDMREIAHSNZ-UHFFFAOYSA-N 1 2 240.328 1.227 20 0 BDADLO CC(=O)C1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC001206794364 968476206 /nfs/dbraw/zinc/47/62/06/968476206.db2.gz POTZTPBEHSJXFB-UHFFFAOYSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1[nH+]cc(CN2CC3(CCC3)C2)n1C ZINC001206792297 968476314 /nfs/dbraw/zinc/47/63/14/968476314.db2.gz SIIIHZUCCMUMMY-UHFFFAOYSA-N 1 2 205.305 1.714 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cs1 ZINC001206802666 968486928 /nfs/dbraw/zinc/48/69/28/968486928.db2.gz MJLYXNGTDIOKDI-GXSJLCMTSA-N 1 2 224.329 1.672 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cs1 ZINC001206802666 968486931 /nfs/dbraw/zinc/48/69/31/968486931.db2.gz MJLYXNGTDIOKDI-GXSJLCMTSA-N 1 2 224.329 1.672 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1cc(C)on1 ZINC001206819731 968490133 /nfs/dbraw/zinc/49/01/33/968490133.db2.gz QCFGBJHUGUCJCL-UHFFFAOYSA-N 1 2 234.303 1.702 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1cc(C)on1 ZINC001206819731 968490135 /nfs/dbraw/zinc/49/01/35/968490135.db2.gz QCFGBJHUGUCJCL-UHFFFAOYSA-N 1 2 234.303 1.702 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c1 ZINC001206847931 968499941 /nfs/dbraw/zinc/49/99/41/968499941.db2.gz WBIKQBJDPQRVSH-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)c1 ZINC001206847931 968499943 /nfs/dbraw/zinc/49/99/43/968499943.db2.gz WBIKQBJDPQRVSH-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(F)cncc1F ZINC001206862575 968502514 /nfs/dbraw/zinc/50/25/14/968502514.db2.gz MHTBTDHTRMCCOD-DTWKUNHWSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1c(F)cncc1F ZINC001206862575 968502516 /nfs/dbraw/zinc/50/25/16/968502516.db2.gz MHTBTDHTRMCCOD-DTWKUNHWSA-N 1 2 242.269 1.705 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cc(C)ccn2)C1 ZINC001206855269 968504680 /nfs/dbraw/zinc/50/46/80/968504680.db2.gz SWDSXNRCHQRKAU-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822522249 968520260 /nfs/dbraw/zinc/52/02/60/968520260.db2.gz HCIKPPGXNCXGTQ-BOCAPUTCSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1ncc(NCCCn2cc[nH+]c2)nc1C ZINC000164668942 968524181 /nfs/dbraw/zinc/52/41/81/968524181.db2.gz PKWJHQHTHAXXTA-UHFFFAOYSA-N 1 2 231.303 1.792 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001206989962 968527665 /nfs/dbraw/zinc/52/76/65/968527665.db2.gz PXZMHLUJVJUAAQ-IUCAKERBSA-N 1 2 210.302 1.425 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001206989962 968527668 /nfs/dbraw/zinc/52/76/68/968527668.db2.gz PXZMHLUJVJUAAQ-IUCAKERBSA-N 1 2 210.302 1.425 20 0 BDADLO Fc1cccnc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001207035290 968568514 /nfs/dbraw/zinc/56/85/14/968568514.db2.gz JMEOWODOXZIJRH-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cccnc1C[N@H+]1CC[C@@]12CCOC2 ZINC001207035290 968568518 /nfs/dbraw/zinc/56/85/18/968568518.db2.gz JMEOWODOXZIJRH-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO COC[C@@H]1CCCN1Cc1[nH+]cc2ccccn21 ZINC001207049669 968578309 /nfs/dbraw/zinc/57/83/09/968578309.db2.gz ZREPJWODCYXTIH-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO COCCn1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240627732 968579743 /nfs/dbraw/zinc/57/97/43/968579743.db2.gz LXAZOBVPGQEIGU-UHFFFAOYSA-N 1 2 242.282 1.844 20 0 BDADLO OC1CC[NH+](Cc2ncc3ccccn32)CC1 ZINC001207048496 968580933 /nfs/dbraw/zinc/58/09/33/968580933.db2.gz RRGXMRGSFRSVPV-UHFFFAOYSA-N 1 2 231.299 1.291 20 0 BDADLO C[N@H+](Cc1ncc2ccccn21)[C@@H]1CCCOC1 ZINC001207056684 968588145 /nfs/dbraw/zinc/58/81/45/968588145.db2.gz UQQNQIVHHZUERR-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO C[N@@H+](Cc1ncc2ccccn21)[C@@H]1CCCOC1 ZINC001207056684 968588153 /nfs/dbraw/zinc/58/81/53/968588153.db2.gz UQQNQIVHHZUERR-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC3(CC3)C2)s1 ZINC001207063458 968588986 /nfs/dbraw/zinc/58/89/86/968588986.db2.gz ZWZAMTRVHNTIAY-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC3(CC3)C2)s1 ZINC001207063458 968589001 /nfs/dbraw/zinc/58/90/01/968589001.db2.gz ZWZAMTRVHNTIAY-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207070123 968599738 /nfs/dbraw/zinc/59/97/38/968599738.db2.gz HKEUKUWFDTUATO-GFCCVEGCSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207070123 968599749 /nfs/dbraw/zinc/59/97/49/968599749.db2.gz HKEUKUWFDTUATO-GFCCVEGCSA-N 1 2 236.315 1.644 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207073898 968606747 /nfs/dbraw/zinc/60/67/47/968606747.db2.gz NIPGGNZDSBKZBV-NSHDSACASA-N 1 2 222.288 1.398 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207073898 968606751 /nfs/dbraw/zinc/60/67/51/968606751.db2.gz NIPGGNZDSBKZBV-NSHDSACASA-N 1 2 222.288 1.398 20 0 BDADLO c1ccc(COCC[N@@H+]2CCC23COC3)cc1 ZINC001207235685 968687553 /nfs/dbraw/zinc/68/75/53/968687553.db2.gz MHLYIEUKILRCFF-UHFFFAOYSA-N 1 2 233.311 1.678 20 0 BDADLO c1ccc(COCC[N@H+]2CCC23COC3)cc1 ZINC001207235685 968687559 /nfs/dbraw/zinc/68/75/59/968687559.db2.gz MHLYIEUKILRCFF-UHFFFAOYSA-N 1 2 233.311 1.678 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CCSC2)[nH+]c1C ZINC000827763810 968707217 /nfs/dbraw/zinc/70/72/17/968707217.db2.gz PPECNKCUSSOHQT-SECBINFHSA-N 1 2 239.344 1.396 20 0 BDADLO CC(C)(CN1CC(F)(F)C1)[NH+]1CCOCC1 ZINC001207299718 968724382 /nfs/dbraw/zinc/72/43/82/968724382.db2.gz OCFDQOYBHODBAQ-UHFFFAOYSA-N 1 2 234.290 1.048 20 0 BDADLO COc1ccccc1CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC001207453873 968779383 /nfs/dbraw/zinc/77/93/83/968779383.db2.gz PFEOQMMGISMSSY-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC001207453873 968779389 /nfs/dbraw/zinc/77/93/89/968779389.db2.gz PFEOQMMGISMSSY-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO CC(=O)[C@H]1C[N@H+](CCc2cccc(C)c2)CCO1 ZINC001207554607 968821162 /nfs/dbraw/zinc/82/11/62/968821162.db2.gz AVGFVLZHXQIWJY-OAHLLOKOSA-N 1 2 247.338 1.827 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](CCc2cccc(C)c2)CCO1 ZINC001207554607 968821167 /nfs/dbraw/zinc/82/11/67/968821167.db2.gz AVGFVLZHXQIWJY-OAHLLOKOSA-N 1 2 247.338 1.827 20 0 BDADLO O=C1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1F ZINC001207630800 968849439 /nfs/dbraw/zinc/84/94/39/968849439.db2.gz YNFRPHUNMINJSJ-USZNOCQGSA-N 1 2 223.291 1.812 20 0 BDADLO O=C1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1F ZINC001207630800 968849443 /nfs/dbraw/zinc/84/94/43/968849443.db2.gz YNFRPHUNMINJSJ-USZNOCQGSA-N 1 2 223.291 1.812 20 0 BDADLO CC[C@H](C)c1nnc(Cn2cc[nH+]c2)o1 ZINC001324025852 968877980 /nfs/dbraw/zinc/87/79/80/968877980.db2.gz CRQRRNCOBZHUQD-QMMMGPOBSA-N 1 2 206.249 1.828 20 0 BDADLO Cc1cc(NC2(C(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC001155094040 968890757 /nfs/dbraw/zinc/89/07/57/968890757.db2.gz PLZPMXAZQHPSIW-UHFFFAOYSA-N 1 2 232.287 1.092 20 0 BDADLO CC(=O)N[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001108227225 968892675 /nfs/dbraw/zinc/89/26/75/968892675.db2.gz JRDDWVQSCVMYFX-VIFPVBQESA-N 1 2 248.330 1.599 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CC[C@@H](F)C1 ZINC000689935101 968899124 /nfs/dbraw/zinc/89/91/24/968899124.db2.gz FXRVHFOVUZYAGD-PTDYZRSTSA-N 1 2 201.241 1.150 20 0 BDADLO CC(C)OC[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252673372 968911188 /nfs/dbraw/zinc/91/11/88/968911188.db2.gz RYZRWCMCCNZWJD-GFCCVEGCSA-N 1 2 249.314 1.532 20 0 BDADLO Cc1c(F)ccnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001155196511 968924808 /nfs/dbraw/zinc/92/48/08/968924808.db2.gz NITBDEKBWTZNEO-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1c(F)ccnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001155196511 968924823 /nfs/dbraw/zinc/92/48/23/968924823.db2.gz NITBDEKBWTZNEO-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CC(=O)N[C@@H](C)C2)o1 ZINC001207944254 968943742 /nfs/dbraw/zinc/94/37/42/968943742.db2.gz OLLFEMJWNDDMIB-JTQLQIEISA-N 1 2 236.315 1.341 20 0 BDADLO Cc1ccc(CCC[N@H+]2CC(=O)N[C@@H](C)C2)o1 ZINC001207944254 968943751 /nfs/dbraw/zinc/94/37/51/968943751.db2.gz OLLFEMJWNDDMIB-JTQLQIEISA-N 1 2 236.315 1.341 20 0 BDADLO C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1COC1 ZINC001252846621 969033658 /nfs/dbraw/zinc/03/36/58/969033658.db2.gz QPHTYUFLQVHFKP-GFCCVEGCSA-N 1 2 225.263 1.190 20 0 BDADLO C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1COC1 ZINC001252846621 969033669 /nfs/dbraw/zinc/03/36/69/969033669.db2.gz QPHTYUFLQVHFKP-GFCCVEGCSA-N 1 2 225.263 1.190 20 0 BDADLO Cc1cc(-c2cnc(N)nc2C)c2[nH+]ccn2c1 ZINC001241646726 969078688 /nfs/dbraw/zinc/07/86/88/969078688.db2.gz GOTKBXHHFWHGBI-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1nc(NC[C@H](C)NC(=O)C(C)C)cc[nH+]1 ZINC001108273312 969089878 /nfs/dbraw/zinc/08/98/78/969089878.db2.gz LXLOUQFYNCKDNF-VIFPVBQESA-N 1 2 236.319 1.358 20 0 BDADLO CC[C@H](NC(=O)NCc1ccc[nH+]c1N)C1CC1 ZINC001253168866 969099223 /nfs/dbraw/zinc/09/92/23/969099223.db2.gz GNQDNVIOZYZKHQ-NSHDSACASA-N 1 2 248.330 1.652 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3ccccc3n2)C1 ZINC000089647401 969141664 /nfs/dbraw/zinc/14/16/64/969141664.db2.gz IPJWYRQWRINASO-UHFFFAOYSA-N 1 2 228.295 1.801 20 0 BDADLO CC(=O)N1CC=C(c2cccc3[nH+]ccn32)CC1 ZINC001241968567 969152231 /nfs/dbraw/zinc/15/22/31/969152231.db2.gz KUNYFOSKGLKAER-UHFFFAOYSA-N 1 2 241.294 1.970 20 0 BDADLO COc1cc(C[NH2+]Cc2ncnn2C)ccc1C ZINC000194348471 969170627 /nfs/dbraw/zinc/17/06/27/969170627.db2.gz WSOSTRICDYNEBP-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC001253448062 969178522 /nfs/dbraw/zinc/17/85/22/969178522.db2.gz HZEDJUIQQNKHAW-CMPLNLGQSA-N 1 2 243.347 1.216 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1C[C@@H](O)COC(C)(C)C ZINC001253448062 969178527 /nfs/dbraw/zinc/17/85/27/969178527.db2.gz HZEDJUIQQNKHAW-CMPLNLGQSA-N 1 2 243.347 1.216 20 0 BDADLO CCCCC[C@@H](O)CN1CC[N@H+](C)[C@H](C)C1 ZINC001253537582 969214318 /nfs/dbraw/zinc/21/43/18/969214318.db2.gz ZRUHVBGATARNTA-CHWSQXEVSA-N 1 2 228.380 1.564 20 0 BDADLO CCCCC[C@@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC001253537582 969214327 /nfs/dbraw/zinc/21/43/27/969214327.db2.gz ZRUHVBGATARNTA-CHWSQXEVSA-N 1 2 228.380 1.564 20 0 BDADLO COc1ccc2cc(NCCC(N)=O)[nH+]cc2c1 ZINC001168953014 969292748 /nfs/dbraw/zinc/29/27/48/969292748.db2.gz VAEJUHWHGCLTPB-UHFFFAOYSA-N 1 2 245.282 1.531 20 0 BDADLO CC(=O)N1CCC[C@H](C[N@H+](C)CC(F)F)C1 ZINC001208974621 969314657 /nfs/dbraw/zinc/31/46/57/969314657.db2.gz TZUOOTZDJHZQGW-SNVBAGLBSA-N 1 2 234.290 1.442 20 0 BDADLO CC(=O)N1CCC[C@H](C[N@@H+](C)CC(F)F)C1 ZINC001208974621 969314661 /nfs/dbraw/zinc/31/46/61/969314661.db2.gz TZUOOTZDJHZQGW-SNVBAGLBSA-N 1 2 234.290 1.442 20 0 BDADLO CC(C)(C)[C@H](O)CNc1[nH+]cccc1O ZINC001253716506 969341850 /nfs/dbraw/zinc/34/18/50/969341850.db2.gz CZQJOLZNAZGNNN-SECBINFHSA-N 1 2 210.277 1.606 20 0 BDADLO CC(C)[C@@H](O)C[NH+]1CC(F)(C2CC2)C1 ZINC001253753463 969370329 /nfs/dbraw/zinc/37/03/29/969370329.db2.gz UYRUVUHMXNJHNK-JTQLQIEISA-N 1 2 201.285 1.437 20 0 BDADLO CC(=O)OC1C[NH+](CCCc2ccncc2)C1 ZINC001209188696 969378792 /nfs/dbraw/zinc/37/87/92/969378792.db2.gz SCJSXDBHCOGGJL-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO O[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1F ZINC001209239911 969415911 /nfs/dbraw/zinc/41/59/11/969415911.db2.gz NPECIQQWUOKYSV-NWDGAFQWSA-N 1 2 245.244 1.522 20 0 BDADLO O[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1F ZINC001209239911 969415916 /nfs/dbraw/zinc/41/59/16/969415916.db2.gz NPECIQQWUOKYSV-NWDGAFQWSA-N 1 2 245.244 1.522 20 0 BDADLO CN1CCC12C[NH+](CCOCc1ccccc1)C2 ZINC001276638144 969448097 /nfs/dbraw/zinc/44/80/97/969448097.db2.gz QVOYMRAVBPSPOR-UHFFFAOYSA-N 1 2 246.354 1.593 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1noc(C)n1 ZINC001169113121 969457739 /nfs/dbraw/zinc/45/77/39/969457739.db2.gz RVLBPWJJUKANBN-GDPRMGEGSA-N 1 2 239.319 1.986 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1c2ccccc2nn1C ZINC001209533968 969534140 /nfs/dbraw/zinc/53/41/40/969534140.db2.gz GMPBVFKGSPTULF-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1c2ccccc2nn1C ZINC001209533968 969534143 /nfs/dbraw/zinc/53/41/43/969534143.db2.gz GMPBVFKGSPTULF-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001209555259 969543841 /nfs/dbraw/zinc/54/38/41/969543841.db2.gz XTIMFVLHDPZBLI-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001209555259 969543845 /nfs/dbraw/zinc/54/38/45/969543845.db2.gz XTIMFVLHDPZBLI-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1nnc(C2CC[NH+](Cc3ccon3)CC2)o1 ZINC001209568503 969550134 /nfs/dbraw/zinc/55/01/34/969550134.db2.gz UJXCGVDNBXBCKA-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cncnc2)[nH]1 ZINC001209575657 969560417 /nfs/dbraw/zinc/56/04/17/969560417.db2.gz KRXTVIBCUCPGCP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cncnc2)[nH]1 ZINC001209575657 969560424 /nfs/dbraw/zinc/56/04/24/969560424.db2.gz KRXTVIBCUCPGCP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CN(C)c1ccccc1C[NH+]1CCC(=O)CC1 ZINC001209772969 969605114 /nfs/dbraw/zinc/60/51/14/969605114.db2.gz OEQLCJPCRYRBBS-UHFFFAOYSA-N 1 2 232.327 1.918 20 0 BDADLO Cc1cc[nH+]c(NCCn2cccc2)c1C(N)=O ZINC001156299836 969614977 /nfs/dbraw/zinc/61/49/77/969614977.db2.gz SUWGHIPBLZPPPW-UHFFFAOYSA-N 1 2 244.298 1.403 20 0 BDADLO c1cnc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC001209784872 969617595 /nfs/dbraw/zinc/61/75/95/969617595.db2.gz FLNIEYUMJNKWDZ-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnc(C[N@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC001209784872 969617599 /nfs/dbraw/zinc/61/75/99/969617599.db2.gz FLNIEYUMJNKWDZ-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO Cn1ncc(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209844105 969654726 /nfs/dbraw/zinc/65/47/26/969654726.db2.gz JZYUQCOYKQQIGW-UHFFFAOYSA-N 1 2 214.232 1.435 20 0 BDADLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)cnc1C ZINC001169654499 969802445 /nfs/dbraw/zinc/80/24/45/969802445.db2.gz TZLMLSXTPDMSDN-CYBMUJFWSA-N 1 2 235.331 1.441 20 0 BDADLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)cnc1C ZINC001169654499 969802448 /nfs/dbraw/zinc/80/24/48/969802448.db2.gz TZLMLSXTPDMSDN-CYBMUJFWSA-N 1 2 235.331 1.441 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cccc2c1CC=C2 ZINC001169658559 969802860 /nfs/dbraw/zinc/80/28/60/969802860.db2.gz YIKVZRBKARRHGX-ZDUSSCGKSA-N 1 2 244.338 1.998 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cccc2c1CC=C2 ZINC001169658559 969802865 /nfs/dbraw/zinc/80/28/65/969802865.db2.gz YIKVZRBKARRHGX-ZDUSSCGKSA-N 1 2 244.338 1.998 20 0 BDADLO CCc1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC001169656932 969803682 /nfs/dbraw/zinc/80/36/82/969803682.db2.gz PPLYYPKBKODZOO-GFCCVEGCSA-N 1 2 235.331 1.387 20 0 BDADLO CCc1ccc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC001169656932 969803686 /nfs/dbraw/zinc/80/36/86/969803686.db2.gz PPLYYPKBKODZOO-GFCCVEGCSA-N 1 2 235.331 1.387 20 0 BDADLO F[C@H]1CCCC[C@@H]1OCC[NH+]1CCOCC1 ZINC001210224952 969836673 /nfs/dbraw/zinc/83/66/73/969836673.db2.gz LLJKXQOVBSGLLP-RYUDHWBXSA-N 1 2 231.311 1.616 20 0 BDADLO COc1cc(Nc2c[nH+]c(C)c(N)c2)no1 ZINC001210287427 969855127 /nfs/dbraw/zinc/85/51/27/969855127.db2.gz SPDWXEWLIGIISW-UHFFFAOYSA-N 1 2 220.232 1.712 20 0 BDADLO Cc1cc[nH+]c(Nc2cc(=O)n(C)c(=O)[nH]2)c1C ZINC001170000065 969985308 /nfs/dbraw/zinc/98/53/08/969985308.db2.gz QBDVORZTYSPEAV-UHFFFAOYSA-N 1 2 246.270 1.241 20 0 BDADLO CN(C)c1nccnc1NCc1cc[nH+]c(N)c1 ZINC001156755444 969994141 /nfs/dbraw/zinc/99/41/41/969994141.db2.gz ABDZDJWQAJBRQG-UHFFFAOYSA-N 1 2 244.302 1.132 20 0 BDADLO COc1cc(Nc2c[nH]c(=O)[nH]c2=O)cc(C)[nH+]1 ZINC001210775211 970025311 /nfs/dbraw/zinc/02/53/11/970025311.db2.gz SIBGOPOEAPXDJJ-UHFFFAOYSA-N 1 2 248.242 1.343 20 0 BDADLO CCCC[C@@H](C)[NH+]1CC(S(C)(=O)=O)C1 ZINC001255331075 970112235 /nfs/dbraw/zinc/11/22/35/970112235.db2.gz YYAATDQXOYXQBS-SECBINFHSA-N 1 2 219.350 1.294 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cn(C)nn1 ZINC000720581842 970159549 /nfs/dbraw/zinc/15/95/49/970159549.db2.gz FJPSORNJCINDRX-SFYZADRCSA-N 1 2 237.332 1.683 20 0 BDADLO COC1CCC([N@@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001255461601 970190143 /nfs/dbraw/zinc/19/01/43/970190143.db2.gz NEJBQSGEANHJIN-ILDUYXDCSA-N 1 2 249.301 1.646 20 0 BDADLO COC1CCC([N@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001255461601 970190145 /nfs/dbraw/zinc/19/01/45/970190145.db2.gz NEJBQSGEANHJIN-ILDUYXDCSA-N 1 2 249.301 1.646 20 0 BDADLO COc1c[nH+]ccc1Nc1nnc(C(C)C)o1 ZINC001211258269 970202934 /nfs/dbraw/zinc/20/29/34/970202934.db2.gz WTXYUWRBQZBARI-UHFFFAOYSA-N 1 2 234.259 1.762 20 0 BDADLO CCOC(=O)c1cc(-c2c[nH+]cn2C)cnc1C ZINC001243066776 970254117 /nfs/dbraw/zinc/25/41/17/970254117.db2.gz ASSRBXFDGIFUHJ-UHFFFAOYSA-N 1 2 245.282 1.967 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(c1)NC(=O)CS2 ZINC001243070498 970271486 /nfs/dbraw/zinc/27/14/86/970271486.db2.gz GJIUTHYBPVKLLG-UHFFFAOYSA-N 1 2 246.295 1.526 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC001255526282 970285077 /nfs/dbraw/zinc/28/50/77/970285077.db2.gz LSCMJXJVSNATPT-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cc[nH+]c(C)c1NCC(=O)CCO ZINC001170100344 970289673 /nfs/dbraw/zinc/28/96/73/970289673.db2.gz GSQLDUXQFXTERY-UHFFFAOYSA-N 1 2 208.261 1.062 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255538624 970307289 /nfs/dbraw/zinc/30/72/89/970307289.db2.gz YTODXQKDRNMWFO-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO C[N@@H+]1CCCC[C@H]1c1nnc([C@@H]2CCOC2)o1 ZINC001255540082 970314920 /nfs/dbraw/zinc/31/49/20/970314920.db2.gz JZALRBYXNRKCAK-ZJUUUORDSA-N 1 2 237.303 1.730 20 0 BDADLO C[N@H+]1CCCC[C@H]1c1nnc([C@@H]2CCOC2)o1 ZINC001255540082 970314928 /nfs/dbraw/zinc/31/49/28/970314928.db2.gz JZALRBYXNRKCAK-ZJUUUORDSA-N 1 2 237.303 1.730 20 0 BDADLO Cc1cc(C)c(Nc2oncc2C(N)=O)c[nH+]1 ZINC001213510408 970332252 /nfs/dbraw/zinc/33/22/52/970332252.db2.gz BEKVQADWVQZEPE-UHFFFAOYSA-N 1 2 232.243 1.529 20 0 BDADLO Cc1cc(C)c(Nc2scnc2C(N)=O)c[nH+]1 ZINC001213508128 970333919 /nfs/dbraw/zinc/33/39/19/970333919.db2.gz LXRJUVXRGXNWJQ-UHFFFAOYSA-N 1 2 248.311 1.997 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ncccc1OC ZINC001157460617 970337195 /nfs/dbraw/zinc/33/71/95/970337195.db2.gz XXVJNZDPSALWIK-UHFFFAOYSA-N 1 2 246.314 1.813 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H](C)COC)C(C)C ZINC001255558263 970338687 /nfs/dbraw/zinc/33/86/87/970338687.db2.gz HTGOJNWMOAJCHN-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1c[nH+]cc(Nc2ccnc(C(N)=O)c2)c1C ZINC001213527411 970344204 /nfs/dbraw/zinc/34/42/04/970344204.db2.gz JYSFTZZUQKNTOS-UHFFFAOYSA-N 1 2 242.282 1.358 20 0 BDADLO COC[C@@H](C)[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001255576685 970379644 /nfs/dbraw/zinc/37/96/44/970379644.db2.gz KTUZBGLKYBQYGL-SNVBAGLBSA-N 1 2 239.290 1.924 20 0 BDADLO C[C@H](CSc1ccc(F)cc1)[NH+]1CC(O)C1 ZINC001255736718 970468449 /nfs/dbraw/zinc/46/84/49/970468449.db2.gz CYZBLGLNMTUGPO-SECBINFHSA-N 1 2 241.331 1.983 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)Cc1ccccc1F ZINC001255854759 970522275 /nfs/dbraw/zinc/52/22/75/970522275.db2.gz RIFIPSFFNLFKDW-JTQLQIEISA-N 1 2 239.290 1.862 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1ccccc1F ZINC001255854759 970522282 /nfs/dbraw/zinc/52/22/82/970522282.db2.gz RIFIPSFFNLFKDW-JTQLQIEISA-N 1 2 239.290 1.862 20 0 BDADLO CC[C@@H]1C[C@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206377 970573621 /nfs/dbraw/zinc/57/36/21/970573621.db2.gz GIKPLIPTSNNFSK-GHMZBOCLSA-N 1 2 248.317 1.485 20 0 BDADLO CC[C@@H]1C[C@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001170206377 970573630 /nfs/dbraw/zinc/57/36/30/970573630.db2.gz GIKPLIPTSNNFSK-GHMZBOCLSA-N 1 2 248.317 1.485 20 0 BDADLO C/C=C/C=C\C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170257764 970640680 /nfs/dbraw/zinc/64/06/80/970640680.db2.gz NNDLDRDGKFJBIM-IAROGAJJSA-N 1 2 243.310 1.681 20 0 BDADLO CC(C)=CC(=O)NCCc1c[nH+]cn1C ZINC000401669117 970716590 /nfs/dbraw/zinc/71/65/90/970716590.db2.gz JWVFLEUYYOUXFI-UHFFFAOYSA-N 1 2 207.277 1.045 20 0 BDADLO COC(=O)/C=C/C(=O)Nc1cccc2[nH+]ccn21 ZINC001144092401 972563948 /nfs/dbraw/zinc/56/39/48/972563948.db2.gz WZOAVWKYZPXGMI-AATRIKPKSA-N 1 2 245.238 1.002 20 0 BDADLO Cc1c([C@H](C)OCc2c[nH+]cn2C)cnn1C ZINC001222585156 972585485 /nfs/dbraw/zinc/58/54/85/972585485.db2.gz FPNKJPGOCNNEEK-JTQLQIEISA-N 1 2 234.303 1.740 20 0 BDADLO C[C@@H](OCc1c[nH+]cn1C)C1CCOCC1 ZINC001222594323 972593823 /nfs/dbraw/zinc/59/38/23/972593823.db2.gz FNVKPGRLXPXAHT-SNVBAGLBSA-N 1 2 224.304 1.752 20 0 BDADLO COC[C@@H](C)OC[C@H](C)OCc1c[nH+]cn1C ZINC001222599792 972596669 /nfs/dbraw/zinc/59/66/69/972596669.db2.gz FVWPFFKCBTTYTH-MNOVXSKESA-N 1 2 242.319 1.377 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1CC(F)(F)C1(F)F ZINC001222599445 972601046 /nfs/dbraw/zinc/60/10/46/972601046.db2.gz BHXOXIZRGQZXST-SSDOTTSWSA-N 1 2 238.184 1.980 20 0 BDADLO CC(C)C[C@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001144168162 972665587 /nfs/dbraw/zinc/66/55/87/972665587.db2.gz RORCEYJNUCXLFM-NSHDSACASA-N 1 2 247.298 1.680 20 0 BDADLO C[N@H+](Cc1ccccn1)Cc1ccc(O)cn1 ZINC001144252916 972716938 /nfs/dbraw/zinc/71/69/38/972716938.db2.gz CZNYSJSPIRPGPW-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1ccccn1)Cc1ccc(O)cn1 ZINC001144252916 972716950 /nfs/dbraw/zinc/71/69/50/972716950.db2.gz CZNYSJSPIRPGPW-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(O)cn2)C[C@@H]1F ZINC001144253480 972719855 /nfs/dbraw/zinc/71/98/55/972719855.db2.gz ZAYROAIMOMPKNQ-KCJUWKMLSA-N 1 2 210.252 1.577 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(O)cn2)C[C@@H]1F ZINC001144253480 972719871 /nfs/dbraw/zinc/71/98/71/972719871.db2.gz ZAYROAIMOMPKNQ-KCJUWKMLSA-N 1 2 210.252 1.577 20 0 BDADLO Oc1cc(F)c(C[N@H+]2CCC[C@H](O)C2)c(F)c1 ZINC001144541969 972863123 /nfs/dbraw/zinc/86/31/23/972863123.db2.gz NNFWYJNVAGKJEM-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1cc(F)c(C[N@@H+]2CCC[C@H](O)C2)c(F)c1 ZINC001144541969 972863128 /nfs/dbraw/zinc/86/31/28/972863128.db2.gz NNFWYJNVAGKJEM-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]cn3ccccc23)CC[C@@H]1O ZINC001144614837 972890130 /nfs/dbraw/zinc/89/01/30/972890130.db2.gz AANMTVZGIZUIDQ-RISCZKNCSA-N 1 2 245.326 1.537 20 0 BDADLO C[C@]1(CO)CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144614855 972891875 /nfs/dbraw/zinc/89/18/75/972891875.db2.gz AUGGHGYZROIUKW-AWEZNQCLSA-N 1 2 245.326 1.539 20 0 BDADLO C[C@]1(O)CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144621862 972896129 /nfs/dbraw/zinc/89/61/29/972896129.db2.gz AHLMNUCMYJNUOG-AWEZNQCLSA-N 1 2 245.326 1.681 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246583775 972960028 /nfs/dbraw/zinc/96/00/28/972960028.db2.gz RYQHRIUMVFVIPD-BQBZGAKWSA-N 1 2 246.223 1.996 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246583775 972960040 /nfs/dbraw/zinc/96/00/40/972960040.db2.gz RYQHRIUMVFVIPD-BQBZGAKWSA-N 1 2 246.223 1.996 20 0 BDADLO COc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)ccn1 ZINC001328317684 972962387 /nfs/dbraw/zinc/96/23/87/972962387.db2.gz UTBRSRWWSIRGQE-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnc[nH]2)CC1(C)C ZINC001328410967 973032525 /nfs/dbraw/zinc/03/25/25/973032525.db2.gz YDVBXGZOLUTIOD-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)CC1(C)C ZINC001328410967 973032540 /nfs/dbraw/zinc/03/25/40/973032540.db2.gz YDVBXGZOLUTIOD-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO COC(=O)[C@@H](C)OCc1cc(C)[nH+]c(C)c1 ZINC001223421753 973057517 /nfs/dbraw/zinc/05/75/17/973057517.db2.gz QQCRQIOHWGALQA-SNVBAGLBSA-N 1 2 223.272 1.777 20 0 BDADLO CC[C@@H](O)C(=O)OCc1cc(C)[nH+]c(C)c1 ZINC001223422629 973062348 /nfs/dbraw/zinc/06/23/48/973062348.db2.gz YHSJZAKBZPAWCR-LLVKDONJSA-N 1 2 223.272 1.513 20 0 BDADLO COc1ccc(COC2C[NH+](C)C2)cc1OC ZINC001223517406 973130438 /nfs/dbraw/zinc/13/04/38/973130438.db2.gz KOOQKTINPKYBAV-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO O=C(Cc1ccccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001328724885 973307160 /nfs/dbraw/zinc/30/71/60/973307160.db2.gz JMMLQQSJQDWMLC-GFCCVEGCSA-N 1 2 241.294 1.167 20 0 BDADLO CCOc1ccccc1COC1C[NH+](C)C1 ZINC001223899721 973329272 /nfs/dbraw/zinc/32/92/72/973329272.db2.gz FZYTZQZQIVAQIE-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO C[NH+]1CC(OCc2ccc3nccnc3c2)C1 ZINC001223934154 973334039 /nfs/dbraw/zinc/33/40/39/973334039.db2.gz AMDQTWPPZAZBRZ-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO c1ncn(COC2C[NH+](Cc3ccccc3)C2)n1 ZINC001223949918 973348138 /nfs/dbraw/zinc/34/81/38/973348138.db2.gz DHWGJDDUSQUVCI-UHFFFAOYSA-N 1 2 244.298 1.137 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)CC1(C)COC1 ZINC001328879143 973379820 /nfs/dbraw/zinc/37/98/20/973379820.db2.gz QMJBTRQXIIVWFE-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)CC1(C)COC1 ZINC001328879143 973379834 /nfs/dbraw/zinc/37/98/34/973379834.db2.gz QMJBTRQXIIVWFE-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO C[C@H](c1nc([C@H]2C[C@H]2C)no1)n1cc[nH+]c1 ZINC001329105106 973486050 /nfs/dbraw/zinc/48/60/50/973486050.db2.gz OOSPPONLRQKQGI-HLTSFMKQSA-N 1 2 218.260 1.999 20 0 BDADLO O=C(c1cscn1)N1CCc2[nH+]ccn2CC1 ZINC001147365215 973564914 /nfs/dbraw/zinc/56/49/14/973564914.db2.gz JEUXDENHYBERQW-UHFFFAOYSA-N 1 2 248.311 1.038 20 0 BDADLO CCO[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC001329224096 973572733 /nfs/dbraw/zinc/57/27/33/973572733.db2.gz VTHZPCSCVJTHRZ-KWQFWETISA-N 1 2 239.319 1.844 20 0 BDADLO C[C@@H](O)c1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC001329292745 973649722 /nfs/dbraw/zinc/64/97/22/973649722.db2.gz PNNAWRQPDJYBRG-SNVBAGLBSA-N 1 2 244.298 1.352 20 0 BDADLO Cc1scc(C(=O)NC2C[NH+](C)C2)c1C ZINC001147530752 973659293 /nfs/dbraw/zinc/65/92/93/973659293.db2.gz KWPYVRZVBHEANW-UHFFFAOYSA-N 1 2 224.329 1.409 20 0 BDADLO CC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001329319504 973675261 /nfs/dbraw/zinc/67/52/61/973675261.db2.gz DIDZPXULXHOHPQ-JQWIXIFHSA-N 1 2 249.314 1.414 20 0 BDADLO Cc1ccc2[nH+]cc(CNc3cnnn3C)n2c1 ZINC001204063117 973817264 /nfs/dbraw/zinc/81/72/64/973817264.db2.gz AAWMKCOPYQAZHW-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C(=O)CC2(C)C)[C@@H](C)CO1 ZINC001329603597 973850198 /nfs/dbraw/zinc/85/01/98/973850198.db2.gz JABBRLPGTGXBEB-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C(=O)CC2(C)C)[C@@H](C)CO1 ZINC001329603597 973850201 /nfs/dbraw/zinc/85/02/01/973850201.db2.gz JABBRLPGTGXBEB-WDEREUQCSA-N 1 2 240.347 1.454 20 0 BDADLO CN(C)c1cc(N2CCC(F)(F)CC2)nc[nH+]1 ZINC000585415595 973910589 /nfs/dbraw/zinc/91/05/89/973910589.db2.gz YPCXBIFJRXBEBW-UHFFFAOYSA-N 1 2 242.273 1.778 20 0 BDADLO CN(C)c1cc(N2CCC(F)(F)CC2)[nH+]cn1 ZINC000585415595 973910600 /nfs/dbraw/zinc/91/06/00/973910600.db2.gz YPCXBIFJRXBEBW-UHFFFAOYSA-N 1 2 242.273 1.778 20 0 BDADLO C[C@@H]1CCCCN1c1cc(N(C)C)[nH+]cn1 ZINC000585414991 973912415 /nfs/dbraw/zinc/91/24/15/973912415.db2.gz GPYIKLILMGLHFP-SNVBAGLBSA-N 1 2 220.320 1.921 20 0 BDADLO C[C@@H]1CCCCN1c1cc(N(C)C)nc[nH+]1 ZINC000585414991 973912426 /nfs/dbraw/zinc/91/24/26/973912426.db2.gz GPYIKLILMGLHFP-SNVBAGLBSA-N 1 2 220.320 1.921 20 0 BDADLO CN(C)c1cc(NCCc2cccnc2)[nH+]cn1 ZINC000585415876 973913262 /nfs/dbraw/zinc/91/32/62/973913262.db2.gz HEXRHIYFPGNDCO-UHFFFAOYSA-N 1 2 243.314 1.592 20 0 BDADLO CN(C)c1cc(NCCc2cccnc2)nc[nH+]1 ZINC000585415876 973913277 /nfs/dbraw/zinc/91/32/77/973913277.db2.gz HEXRHIYFPGNDCO-UHFFFAOYSA-N 1 2 243.314 1.592 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171398105 974005663 /nfs/dbraw/zinc/00/56/63/974005663.db2.gz VFZFCFNUIQPRNG-SNVBAGLBSA-N 1 2 237.274 1.446 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC001329937693 974041704 /nfs/dbraw/zinc/04/17/04/974041704.db2.gz AURUHZWYYDCLPF-ZYHUDNBSSA-N 1 2 243.314 1.777 20 0 BDADLO CCCN(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001329958250 974050984 /nfs/dbraw/zinc/05/09/84/974050984.db2.gz VJPLZSZDWUQHRI-UHFFFAOYSA-N 1 2 222.292 1.161 20 0 BDADLO Cc1nc(NCCNC(=O)C2(C)CC2)cc[nH+]1 ZINC001094197203 974053317 /nfs/dbraw/zinc/05/33/17/974053317.db2.gz MMDHPABQBUKDTA-UHFFFAOYSA-N 1 2 234.303 1.113 20 0 BDADLO C[NH+](C)Cc1nc(Br)cs1 ZINC000257846561 974151398 /nfs/dbraw/zinc/15/13/98/974151398.db2.gz AICPKUBZCLGIDO-UHFFFAOYSA-N 1 2 221.123 1.967 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795459 974184983 /nfs/dbraw/zinc/18/49/83/974184983.db2.gz WTKQPGPOOWQJEL-KOLCDFICSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795459 974184992 /nfs/dbraw/zinc/18/49/92/974184992.db2.gz WTKQPGPOOWQJEL-KOLCDFICSA-N 1 2 248.301 1.113 20 0 BDADLO CC(=O)NC1C[NH+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171804563 974195337 /nfs/dbraw/zinc/19/53/37/974195337.db2.gz GXUUCHXEXSQMEX-LBPRGKRZSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)c2ncnn21 ZINC001330301458 974223679 /nfs/dbraw/zinc/22/36/79/974223679.db2.gz LYLRGKCHJMGJGH-PSASIEDQSA-N 1 2 247.277 1.608 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)[C@@H](C)O ZINC000170608766 974516999 /nfs/dbraw/zinc/51/69/99/974516999.db2.gz NBQKIPKEPMTKNT-ROHXPCBUSA-N 1 2 243.347 1.323 20 0 BDADLO CC1(C)C[C@H]([NH+]2CC(Oc3cccnc3)C2)CO1 ZINC001172287302 974552037 /nfs/dbraw/zinc/55/20/37/974552037.db2.gz SWDHAUHVQJFFOB-NSHDSACASA-N 1 2 248.326 1.712 20 0 BDADLO CC[C@H](C)OCC[C@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001172346914 974615080 /nfs/dbraw/zinc/61/50/80/974615080.db2.gz KOPFPJPGGDNJIK-XUXIUFHCSA-N 1 2 240.391 1.968 20 0 BDADLO CC[C@H](C)OCC[C@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001172346914 974615086 /nfs/dbraw/zinc/61/50/86/974615086.db2.gz KOPFPJPGGDNJIK-XUXIUFHCSA-N 1 2 240.391 1.968 20 0 BDADLO C(C[N@@H+]1OC2CCC1CC2)[C@@H]1CCOC1 ZINC001331163666 974627637 /nfs/dbraw/zinc/62/76/37/974627637.db2.gz XUOWWFGFYJMEOT-VOMCLLRMSA-N 1 2 211.305 1.971 20 0 BDADLO C(C[N@H+]1OC2CCC1CC2)[C@@H]1CCOC1 ZINC001331163666 974627640 /nfs/dbraw/zinc/62/76/40/974627640.db2.gz XUOWWFGFYJMEOT-VOMCLLRMSA-N 1 2 211.305 1.971 20 0 BDADLO C(C[N@@H+]1OC2CCC1CC2)[C@H]1CCOC1 ZINC001331163665 974628156 /nfs/dbraw/zinc/62/81/56/974628156.db2.gz XUOWWFGFYJMEOT-UNXYVOJBSA-N 1 2 211.305 1.971 20 0 BDADLO C(C[N@H+]1OC2CCC1CC2)[C@H]1CCOC1 ZINC001331163665 974628159 /nfs/dbraw/zinc/62/81/59/974628159.db2.gz XUOWWFGFYJMEOT-UNXYVOJBSA-N 1 2 211.305 1.971 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)[C@@H](C)O ZINC001172360179 974629165 /nfs/dbraw/zinc/62/91/65/974629165.db2.gz NBQKIPKEPMTKNT-OOCWMUITSA-N 1 2 243.347 1.323 20 0 BDADLO CC[C@H](CC(C)C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001172391491 974741798 /nfs/dbraw/zinc/74/17/98/974741798.db2.gz HMZBNTFUBLYNES-GMTAPVOTSA-N 1 2 231.336 1.323 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)no1 ZINC001331741027 974810690 /nfs/dbraw/zinc/81/06/90/974810690.db2.gz GSAKFNPJEXRMLB-DTWKUNHWSA-N 1 2 247.302 1.450 20 0 BDADLO CC[N@@H+]1CCC[C@@H](Oc2nc(C)cc(=O)[nH]2)C1 ZINC001226159540 974814788 /nfs/dbraw/zinc/81/47/88/974814788.db2.gz PDTSBEVGYKEKNU-SNVBAGLBSA-N 1 2 237.303 1.354 20 0 BDADLO CC[N@H+]1CCC[C@@H](Oc2nc(C)cc(=O)[nH]2)C1 ZINC001226159540 974814789 /nfs/dbraw/zinc/81/47/89/974814789.db2.gz PDTSBEVGYKEKNU-SNVBAGLBSA-N 1 2 237.303 1.354 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CCOCC(C)C ZINC001172462862 974828404 /nfs/dbraw/zinc/82/84/04/974828404.db2.gz ZFCNDBCNAPSBNA-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1scnc1Cl ZINC000721127723 974845251 /nfs/dbraw/zinc/84/52/51/974845251.db2.gz ZBCJKXKSXHXDRG-UHFFFAOYSA-N 1 2 248.735 1.791 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1scnc1Cl ZINC000721127723 974845255 /nfs/dbraw/zinc/84/52/55/974845255.db2.gz ZBCJKXKSXHXDRG-UHFFFAOYSA-N 1 2 248.735 1.791 20 0 BDADLO Cc1c([C@H](C)Nc2cc(CO)cc[nH+]2)cnn1C ZINC001331898278 974855392 /nfs/dbraw/zinc/85/53/92/974855392.db2.gz TVMOUEATZZBFNG-VIFPVBQESA-N 1 2 246.314 1.789 20 0 BDADLO CC(C)[NH+]1CC(Oc2nc(=O)[nH]c3c2CCC3)C1 ZINC001226337368 974865863 /nfs/dbraw/zinc/86/58/63/974865863.db2.gz DMQPCGIBQWMVRG-UHFFFAOYSA-N 1 2 249.314 1.142 20 0 BDADLO Cc1nc(O[C@@H]2CCC[N@@H+](C)C2)c(F)c(=O)[nH]1 ZINC001226421445 974892434 /nfs/dbraw/zinc/89/24/34/974892434.db2.gz NWNODUFRUNQYOC-MRVPVSSYSA-N 1 2 241.266 1.103 20 0 BDADLO Cc1nc(O[C@@H]2CCC[N@H+](C)C2)c(F)c(=O)[nH]1 ZINC001226421445 974892438 /nfs/dbraw/zinc/89/24/38/974892438.db2.gz NWNODUFRUNQYOC-MRVPVSSYSA-N 1 2 241.266 1.103 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([N@H+](C)CC(F)F)C1 ZINC001172624003 974897425 /nfs/dbraw/zinc/89/74/25/974897425.db2.gz UEUIOXHFNPTBSS-DTWKUNHWSA-N 1 2 235.274 1.915 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)CC(F)F)C1 ZINC001172624003 974897429 /nfs/dbraw/zinc/89/74/29/974897429.db2.gz UEUIOXHFNPTBSS-DTWKUNHWSA-N 1 2 235.274 1.915 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC001248940568 974929522 /nfs/dbraw/zinc/92/95/22/974929522.db2.gz ZBWLAVWAJYOAPY-TXEJJXNPSA-N 1 2 245.326 1.789 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC001248940568 974929528 /nfs/dbraw/zinc/92/95/28/974929528.db2.gz ZBWLAVWAJYOAPY-TXEJJXNPSA-N 1 2 245.326 1.789 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC001172915104 974961480 /nfs/dbraw/zinc/96/14/80/974961480.db2.gz NUEDXPCSRWRZHW-UWVGGRQHSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1nocc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001332133027 974968433 /nfs/dbraw/zinc/96/84/33/974968433.db2.gz WZEZSEVKVZGAPO-VIFPVBQESA-N 1 2 234.259 1.057 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929458 974977840 /nfs/dbraw/zinc/97/78/40/974977840.db2.gz DZYYKZWJWOOGNP-GARJFASQSA-N 1 2 249.301 1.646 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929458 974977844 /nfs/dbraw/zinc/97/78/44/974977844.db2.gz DZYYKZWJWOOGNP-GARJFASQSA-N 1 2 249.301 1.646 20 0 BDADLO Cc1ccnnc1OC1C[NH+](C(C)C)C1 ZINC001226638435 974988603 /nfs/dbraw/zinc/98/86/03/974988603.db2.gz DGHWSFGZHDMHFW-UHFFFAOYSA-N 1 2 207.277 1.256 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C(N)=S)cc2)C1 ZINC001226653722 974998069 /nfs/dbraw/zinc/99/80/69/974998069.db2.gz OIXDOKGOVGTTFN-UHFFFAOYSA-N 1 2 236.340 1.404 20 0 BDADLO CCc1nc(N(C)C[C@H](C)C(=O)OC)cc[nH+]1 ZINC001332254959 975032755 /nfs/dbraw/zinc/03/27/55/975032755.db2.gz ZKTHYMCEKLYGNU-VIFPVBQESA-N 1 2 237.303 1.284 20 0 BDADLO CCc1nc(N(C)[C@@H](C)C[S@](C)=O)cc[nH+]1 ZINC001332265181 975035661 /nfs/dbraw/zinc/03/56/61/975035661.db2.gz BJUURSMOYVCGCY-FVMDXXJSSA-N 1 2 241.360 1.242 20 0 BDADLO CCOC1CC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001332307326 975048265 /nfs/dbraw/zinc/04/82/65/975048265.db2.gz CMOUGVICJSUJGL-QWKFWESOSA-N 1 2 249.314 1.026 20 0 BDADLO COc1cccc2c1C[C@@H]([N@H+](C)CC(C)=O)CO2 ZINC001173152722 975050097 /nfs/dbraw/zinc/05/00/97/975050097.db2.gz RMLUVEQJPKQXKD-LLVKDONJSA-N 1 2 249.310 1.520 20 0 BDADLO COc1cccc2c1C[C@@H]([N@@H+](C)CC(C)=O)CO2 ZINC001173152722 975050104 /nfs/dbraw/zinc/05/01/04/975050104.db2.gz RMLUVEQJPKQXKD-LLVKDONJSA-N 1 2 249.310 1.520 20 0 BDADLO Cn1cccc1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001203254273 975057056 /nfs/dbraw/zinc/05/70/56/975057056.db2.gz OXBUNYWTNWNHKO-LLVKDONJSA-N 1 2 224.279 1.528 20 0 BDADLO Cn1cccc1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001203254273 975057061 /nfs/dbraw/zinc/05/70/61/975057061.db2.gz OXBUNYWTNWNHKO-LLVKDONJSA-N 1 2 224.279 1.528 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3cc[nH]c3n2)C1 ZINC001226807156 975096135 /nfs/dbraw/zinc/09/61/35/975096135.db2.gz JFGGQCXJEFOJIU-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3cc[nH]c3n2)C1 ZINC001226807156 975096141 /nfs/dbraw/zinc/09/61/41/975096141.db2.gz JFGGQCXJEFOJIU-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2CC=CCC2)[nH]n1 ZINC001332435698 975121840 /nfs/dbraw/zinc/12/18/40/975121840.db2.gz KINRTDAHTRXIOZ-UHFFFAOYSA-N 1 2 235.287 1.348 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2CC=CCC2)[nH]n1 ZINC001332435698 975121848 /nfs/dbraw/zinc/12/18/48/975121848.db2.gz KINRTDAHTRXIOZ-UHFFFAOYSA-N 1 2 235.287 1.348 20 0 BDADLO C[NH+]1CC(Oc2cccc3nccnc32)C1 ZINC001226856049 975128356 /nfs/dbraw/zinc/12/83/56/975128356.db2.gz DIGNEASENJOCMH-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC001332494791 975172980 /nfs/dbraw/zinc/17/29/80/975172980.db2.gz UZYGARRPLDBILB-NOOOWODRSA-N 1 2 233.315 1.749 20 0 BDADLO C[C@H](CC(=O)NOC(C)(C)C)n1cc[nH+]c1 ZINC001332710856 975269193 /nfs/dbraw/zinc/26/91/93/975269193.db2.gz FYIODSQNYHFUPQ-SECBINFHSA-N 1 2 225.292 1.681 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)[nH]n1 ZINC001332719219 975271450 /nfs/dbraw/zinc/27/14/50/975271450.db2.gz ZRJREPNNCGPXFM-JTQLQIEISA-N 1 2 246.318 1.134 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)[nH]n1 ZINC001332719219 975271459 /nfs/dbraw/zinc/27/14/59/975271459.db2.gz ZRJREPNNCGPXFM-JTQLQIEISA-N 1 2 246.318 1.134 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3c2CCCC3)C1 ZINC001227101648 975273757 /nfs/dbraw/zinc/27/37/57/975273757.db2.gz OHPYBPVDZFFGSQ-UHFFFAOYSA-N 1 2 221.304 1.371 20 0 BDADLO C[NH+]1CC(Oc2cccc3ccc(N)nc32)C1 ZINC001227103122 975276433 /nfs/dbraw/zinc/27/64/33/975276433.db2.gz GZUFGWGGNWPPKX-UHFFFAOYSA-N 1 2 229.283 1.510 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ncccc2Cl)C1 ZINC001227119170 975285710 /nfs/dbraw/zinc/28/57/10/975285710.db2.gz STCOGMMFNZFGTI-SECBINFHSA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ncccc2Cl)C1 ZINC001227119170 975285718 /nfs/dbraw/zinc/28/57/18/975285718.db2.gz STCOGMMFNZFGTI-SECBINFHSA-N 1 2 242.706 1.444 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2cnn(C)n2)s1 ZINC001332844045 975290924 /nfs/dbraw/zinc/29/09/24/975290924.db2.gz MXCQTWDOLUTRES-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO COCCc1ccc(OC2C[NH+](C)C2)cc1 ZINC001227191167 975308494 /nfs/dbraw/zinc/30/84/94/975308494.db2.gz WJDLHYIRZCPENN-UHFFFAOYSA-N 1 2 221.300 1.568 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3sccc32)C1 ZINC001227213860 975313532 /nfs/dbraw/zinc/31/35/32/975313532.db2.gz CPHKTTLSRGBFKP-UHFFFAOYSA-N 1 2 235.312 1.774 20 0 BDADLO CCN(C(=O)[C@H](C)n1cc[nH+]c1)c1cnn(C)c1 ZINC001332923349 975321153 /nfs/dbraw/zinc/32/11/53/975321153.db2.gz DFPCEGBGPFPYLQ-JTQLQIEISA-N 1 2 247.302 1.231 20 0 BDADLO CC[NH+]1CC(Oc2nc3cccc(C)c3[nH]2)C1 ZINC001227270627 975348217 /nfs/dbraw/zinc/34/82/17/975348217.db2.gz AVFODSVYMKQAAQ-UHFFFAOYSA-N 1 2 231.299 1.954 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173453819 975397050 /nfs/dbraw/zinc/39/70/50/975397050.db2.gz OCVUERYYHINRIR-JTQLQIEISA-N 1 2 245.319 1.261 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc(C)c1 ZINC001173808430 975711472 /nfs/dbraw/zinc/71/14/72/975711472.db2.gz ZBESFPKFTXFSLE-UHFFFAOYSA-N 1 2 245.282 1.940 20 0 BDADLO CCOC(=O)c1cc(C[NH2+]C(C)(C)CF)on1 ZINC001333372819 975728093 /nfs/dbraw/zinc/72/80/93/975728093.db2.gz ZUUYODNLORTEPF-UHFFFAOYSA-N 1 2 244.266 1.689 20 0 BDADLO C[NH+]1CC(Oc2cn3ccccc3n2)C1 ZINC001227945680 975803665 /nfs/dbraw/zinc/80/36/65/975803665.db2.gz PXDRMWRBVCMXSU-UHFFFAOYSA-N 1 2 203.245 1.027 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)o1 ZINC001333499609 975816661 /nfs/dbraw/zinc/81/66/61/975816661.db2.gz LFPDAMBSELXOMM-JTQLQIEISA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)o1 ZINC001333499609 975816664 /nfs/dbraw/zinc/81/66/64/975816664.db2.gz LFPDAMBSELXOMM-JTQLQIEISA-N 1 2 235.287 1.548 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cc(C2CC2)nn1C ZINC001333519530 975827587 /nfs/dbraw/zinc/82/75/87/975827587.db2.gz MNOLWPHHPWVECR-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ncn[nH]1)C(C)C ZINC001333605079 975889264 /nfs/dbraw/zinc/88/92/64/975889264.db2.gz KJSDURRLSALIKJ-ZYHUDNBSSA-N 1 2 240.351 1.183 20 0 BDADLO CO[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001333680397 975985272 /nfs/dbraw/zinc/98/52/72/975985272.db2.gz UDNPMWFKZZEBNM-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO CO[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001333680397 975985292 /nfs/dbraw/zinc/98/52/92/975985292.db2.gz UDNPMWFKZZEBNM-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO CC[NH+]1CC(Oc2ccccc2CC(=O)OC)C1 ZINC001228264865 976027499 /nfs/dbraw/zinc/02/74/99/976027499.db2.gz RWXBMGOTLFZTFC-UHFFFAOYSA-N 1 2 249.310 1.485 20 0 BDADLO CCc1nc(NC[C@H](C)C(=O)OC)cc[nH+]1 ZINC001333885565 976138627 /nfs/dbraw/zinc/13/86/27/976138627.db2.gz VQTZYLMEHKJRBZ-QMMMGPOBSA-N 1 2 223.276 1.260 20 0 BDADLO CC(C)(C)[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001333943954 976181391 /nfs/dbraw/zinc/18/13/91/976181391.db2.gz CZKIQYCAMITNGB-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO Cc1c(O)cc(O)cc1OC1C[NH+](C)C1 ZINC001228491787 976256942 /nfs/dbraw/zinc/25/69/42/976256942.db2.gz PLQSVKZUONBZQL-UHFFFAOYSA-N 1 2 209.245 1.099 20 0 BDADLO CNC(=O)c1cccc(Nc2[nH+]cccc2N)c1 ZINC001174138223 976372373 /nfs/dbraw/zinc/37/23/73/976372373.db2.gz RWFACXKNJZISDE-UHFFFAOYSA-N 1 2 242.282 1.767 20 0 BDADLO Cc1cc(=O)[nH]c(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001334205688 976376027 /nfs/dbraw/zinc/37/60/27/976376027.db2.gz NZZHGWORUNQCHN-VIFPVBQESA-N 1 2 246.270 1.492 20 0 BDADLO C[NH+]1CC(Oc2nc3cnccc3n2C2CC2)C1 ZINC001228599853 976377583 /nfs/dbraw/zinc/37/75/83/976377583.db2.gz QCQGREALZBYBAS-UHFFFAOYSA-N 1 2 244.298 1.459 20 0 BDADLO Cc1cccnc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC001334376372 976477936 /nfs/dbraw/zinc/47/79/36/976477936.db2.gz VZEXIMCZEWTVCC-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccnc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC001334376372 976477942 /nfs/dbraw/zinc/47/79/42/976477942.db2.gz VZEXIMCZEWTVCC-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1nn(C)cc1-n1c(C)[nH+]c2ccc(N)cc21 ZINC001174336020 976556733 /nfs/dbraw/zinc/55/67/33/976556733.db2.gz YDAJMLAJKJRDKH-UHFFFAOYSA-N 1 2 241.298 1.958 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3[nH]ccc3n2)C1 ZINC001228981535 976605976 /nfs/dbraw/zinc/60/59/76/976605976.db2.gz CGQKESHYIHIBAC-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3[nH]ccc3n2)C1 ZINC001228981535 976605983 /nfs/dbraw/zinc/60/59/83/976605983.db2.gz CGQKESHYIHIBAC-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1cnn(C)c1C ZINC001174390081 976655849 /nfs/dbraw/zinc/65/58/49/976655849.db2.gz KUWWABYHWBYVCS-UHFFFAOYSA-N 1 2 241.298 1.958 20 0 BDADLO CCc1cnnc(OC2C[NH+](CC)C2)c1 ZINC001229052169 976681764 /nfs/dbraw/zinc/68/17/64/976681764.db2.gz TUGXEZBFLCAZNQ-UHFFFAOYSA-N 1 2 207.277 1.122 20 0 BDADLO Cn1nc(C2CC2)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001334948276 976804897 /nfs/dbraw/zinc/80/48/97/976804897.db2.gz OKKPTQNYXRHJNH-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO C[C@@H](C(=O)NCc1cccc(F)n1)n1cc[nH+]c1 ZINC001335032385 976831315 /nfs/dbraw/zinc/83/13/15/976831315.db2.gz QVFKKOPFUWYEIF-VIFPVBQESA-N 1 2 248.261 1.295 20 0 BDADLO Cc1nc(N[C@@H](C)c2cncs2)nc(N)[nH+]1 ZINC001335118934 976855973 /nfs/dbraw/zinc/85/59/73/976855973.db2.gz VJZMJIGVWLLHOT-YFKPBYRVSA-N 1 2 236.304 1.392 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)c2cncs2)[nH+]1 ZINC001335118934 976855979 /nfs/dbraw/zinc/85/59/79/976855979.db2.gz VJZMJIGVWLLHOT-YFKPBYRVSA-N 1 2 236.304 1.392 20 0 BDADLO CC(C)[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ncon1 ZINC001335449275 977065822 /nfs/dbraw/zinc/06/58/22/977065822.db2.gz TYVUNFQQYBVNMK-OIBJUYFYSA-N 1 2 249.261 1.372 20 0 BDADLO CC(=O)Nc1cc(Nc2cc(C)nn2C)cc[nH+]1 ZINC001174822585 977078492 /nfs/dbraw/zinc/07/84/92/977078492.db2.gz WHFDZCMZFBBTQP-UHFFFAOYSA-N 1 2 245.286 1.826 20 0 BDADLO C[NH+]1CC(Oc2ccc3scnc3c2)C1 ZINC001230231218 977137866 /nfs/dbraw/zinc/13/78/66/977137866.db2.gz CLZCFQSHZHNCMX-UHFFFAOYSA-N 1 2 220.297 1.989 20 0 BDADLO C[NH+](C)c1ccc(NC2C(=O)N=CNC2=O)cc1 ZINC001174877937 977144826 /nfs/dbraw/zinc/14/48/26/977144826.db2.gz WOZMBISFQCVVAB-UHFFFAOYSA-N 1 2 246.270 1.697 20 0 BDADLO CCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001230561445 977255768 /nfs/dbraw/zinc/25/57/68/977255768.db2.gz CXFWSYUPRXIENQ-DFVUYQKZSA-N 1 2 230.739 1.682 20 0 BDADLO CCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001230561445 977255772 /nfs/dbraw/zinc/25/57/72/977255772.db2.gz CXFWSYUPRXIENQ-DFVUYQKZSA-N 1 2 230.739 1.682 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C3CC3)nn2)C1 ZINC001231023276 977429888 /nfs/dbraw/zinc/42/98/88/977429888.db2.gz ZURYTIKEOTYPIE-UHFFFAOYSA-N 1 2 219.288 1.437 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cccn2C)[nH+]1 ZINC000433762743 977549312 /nfs/dbraw/zinc/54/93/12/977549312.db2.gz ADBMRULFIIHSNH-UHFFFAOYSA-N 1 2 241.298 1.639 20 0 BDADLO C[N@@H+]1CCC=C(Nc2cncnc2Cl)C1 ZINC001175574149 977573575 /nfs/dbraw/zinc/57/35/75/977573575.db2.gz NRUWLGCUQACYDI-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCC=C(Nc2cncnc2Cl)C1 ZINC001175574149 977573587 /nfs/dbraw/zinc/57/35/87/977573587.db2.gz NRUWLGCUQACYDI-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]c3cccnc23)C1 ZINC001231485302 977600859 /nfs/dbraw/zinc/60/08/59/977600859.db2.gz FTSVIRNUGDDMGO-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO N#CN1CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001231524407 977626657 /nfs/dbraw/zinc/62/66/57/977626657.db2.gz OXIXHBIJQPUACF-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO COc1cc(F)ccc1C[NH+]1CC2(COC2)C1 ZINC001231601448 977648121 /nfs/dbraw/zinc/64/81/21/977648121.db2.gz GKNKOFFBYYZYJR-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO COc1cc(F)ccc1C[NH+]1CC(CO)C1 ZINC001231604034 977648732 /nfs/dbraw/zinc/64/87/32/977648732.db2.gz UYVGIAGBQKMYGT-UHFFFAOYSA-N 1 2 225.263 1.258 20 0 BDADLO COc1cc(F)ccc1C[NH+]1CC(C)(CO)C1 ZINC001231602555 977650327 /nfs/dbraw/zinc/65/03/27/977650327.db2.gz QAXWHLPANFMNJH-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO CCOc1ccc(C[NH+]2CC3(COC3)C2)cn1 ZINC001231650279 977665826 /nfs/dbraw/zinc/66/58/26/977665826.db2.gz XLWRGBJRAZMKCJ-UHFFFAOYSA-N 1 2 234.299 1.313 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc2cc[nH]c2cn1 ZINC001231668832 977678477 /nfs/dbraw/zinc/67/84/77/977678477.db2.gz KRSGHDJIVKKZAW-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc2cc[nH]c2cn1 ZINC001231668832 977678487 /nfs/dbraw/zinc/67/84/87/977678487.db2.gz KRSGHDJIVKKZAW-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](CO)OC[C@H]2C)[nH+]1 ZINC001336548471 977767808 /nfs/dbraw/zinc/76/78/08/977767808.db2.gz LLULWXMJGGCMGL-KOLCDFICSA-N 1 2 240.278 1.115 20 0 BDADLO c1[nH]nc2cc(C[N@@H+]3CCC34COC4)ccc12 ZINC001231906564 977792486 /nfs/dbraw/zinc/79/24/86/977792486.db2.gz CHKANAPGRQKTEO-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO c1[nH]nc2cc(C[N@H+]3CCC34COC4)ccc12 ZINC001231906564 977792499 /nfs/dbraw/zinc/79/24/99/977792499.db2.gz CHKANAPGRQKTEO-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO COc1cc[nH+]c(CN2Cc3cncnc3C2)c1 ZINC001231966909 977815716 /nfs/dbraw/zinc/81/57/16/977815716.db2.gz MZNFBWCMRZVCKX-UHFFFAOYSA-N 1 2 242.282 1.396 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCCC12COC2 ZINC001231982649 977821455 /nfs/dbraw/zinc/82/14/55/977821455.db2.gz AVALTAVUEVXOAW-UHFFFAOYSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCCC12COC2 ZINC001231982649 977821458 /nfs/dbraw/zinc/82/14/58/977821458.db2.gz AVALTAVUEVXOAW-UHFFFAOYSA-N 1 2 236.290 1.894 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232022000 977848646 /nfs/dbraw/zinc/84/86/46/977848646.db2.gz WASUZJRYSRLUDI-LLVKDONJSA-N 1 2 225.267 1.506 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232022000 977848647 /nfs/dbraw/zinc/84/86/47/977848647.db2.gz WASUZJRYSRLUDI-LLVKDONJSA-N 1 2 225.267 1.506 20 0 BDADLO CC(=O)N1CC=C(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC001176026904 977863838 /nfs/dbraw/zinc/86/38/38/977863838.db2.gz ZKOWAKASMAQAJC-UHFFFAOYSA-N 1 2 246.314 1.641 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc2ncccc2[nH]1 ZINC001232061821 977875388 /nfs/dbraw/zinc/87/53/88/977875388.db2.gz OEWPMYDMNJDOJE-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc2ncccc2[nH]1 ZINC001232061821 977875390 /nfs/dbraw/zinc/87/53/90/977875390.db2.gz OEWPMYDMNJDOJE-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO COc1cnc(Cl)c(Nc2[nH]cc[nH+]2)n1 ZINC001176082248 977879035 /nfs/dbraw/zinc/87/90/35/977879035.db2.gz AZBDNNZDDJJRIB-UHFFFAOYSA-N 1 2 225.639 1.605 20 0 BDADLO CN(c1[nH]cc[nH+]1)c1nc(Cl)ccc1N ZINC001176082176 977881140 /nfs/dbraw/zinc/88/11/40/977881140.db2.gz XXVGQKKFVKJRED-UHFFFAOYSA-N 1 2 223.667 1.808 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3nccc3C2)c(C)n1 ZINC001232083531 977885680 /nfs/dbraw/zinc/88/56/80/977885680.db2.gz AHCHDDRMONLPKD-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3nccc3C2)c(C)n1 ZINC001232083531 977885684 /nfs/dbraw/zinc/88/56/84/977885684.db2.gz AHCHDDRMONLPKD-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(Cl)ccc2F)C[C@@H]1O ZINC001232155379 977897538 /nfs/dbraw/zinc/89/75/38/977897538.db2.gz KPPUIHICIVQASD-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(Cl)ccc2F)C[C@@H]1O ZINC001232155379 977897545 /nfs/dbraw/zinc/89/75/45/977897545.db2.gz KPPUIHICIVQASD-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(C2CC2)n1 ZINC001232174371 977906429 /nfs/dbraw/zinc/90/64/29/977906429.db2.gz WUEXCHMMXPZGJO-CHWSQXEVSA-N 1 2 247.342 1.661 20 0 BDADLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c(C2CC2)n1 ZINC001232174371 977906436 /nfs/dbraw/zinc/90/64/36/977906436.db2.gz WUEXCHMMXPZGJO-CHWSQXEVSA-N 1 2 247.342 1.661 20 0 BDADLO CC(=O)Nc1ccc(C[NH+]2CC(O)C2)c(C)c1 ZINC001232181351 977909883 /nfs/dbraw/zinc/90/98/83/977909883.db2.gz JNJDHATUHJBZLC-UHFFFAOYSA-N 1 2 234.299 1.130 20 0 BDADLO CCN(Cc1ccns1)C1C[NH+](C)C1 ZINC001232194860 977913907 /nfs/dbraw/zinc/91/39/07/977913907.db2.gz XHGWWAPWKQDUFE-UHFFFAOYSA-N 1 2 211.334 1.279 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1ncsc1C ZINC001232206192 977931553 /nfs/dbraw/zinc/93/15/53/977931553.db2.gz FPQRKFGYHSYDLK-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1ncsc1C ZINC001232206192 977931558 /nfs/dbraw/zinc/93/15/58/977931558.db2.gz FPQRKFGYHSYDLK-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO Cc1conc1NC(=O)NCc1c[nH+]cn1C ZINC001336774368 977943677 /nfs/dbraw/zinc/94/36/77/977943677.db2.gz PCNDDJNLZDRRQU-UHFFFAOYSA-N 1 2 235.247 1.038 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc(=O)[nH]c1 ZINC001176116907 977944146 /nfs/dbraw/zinc/94/41/46/977944146.db2.gz PTVLCQNKUYPPEW-UHFFFAOYSA-N 1 2 217.228 1.934 20 0 BDADLO COc1cc[nH+]cc1Nc1onc(C)c1C(N)=O ZINC001176116385 977947177 /nfs/dbraw/zinc/94/71/77/977947177.db2.gz BDVBVYFKFAWVQB-UHFFFAOYSA-N 1 2 248.242 1.229 20 0 BDADLO CC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001336776396 977947654 /nfs/dbraw/zinc/94/76/54/977947654.db2.gz TUEBWUITGZFRTJ-UHFFFAOYSA-N 1 2 231.295 1.828 20 0 BDADLO CC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001336776396 977947664 /nfs/dbraw/zinc/94/76/64/977947664.db2.gz TUEBWUITGZFRTJ-UHFFFAOYSA-N 1 2 231.295 1.828 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc2nccn2c1 ZINC001176121796 977959049 /nfs/dbraw/zinc/95/90/49/977959049.db2.gz QCUKALFJAGIBGR-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Cc1ccc(O)c(Nc2ccc(=O)[nH]c2)[nH+]1 ZINC001176126074 977960817 /nfs/dbraw/zinc/96/08/17/977960817.db2.gz FQPWOBWNUUQLCY-UHFFFAOYSA-N 1 2 217.228 1.940 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC001232348477 978026729 /nfs/dbraw/zinc/02/67/29/978026729.db2.gz JGVSWFDESYOOQC-LLVKDONJSA-N 1 2 236.315 1.619 20 0 BDADLO COc1cc(C)c(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC001232348477 978026747 /nfs/dbraw/zinc/02/67/47/978026747.db2.gz JGVSWFDESYOOQC-LLVKDONJSA-N 1 2 236.315 1.619 20 0 BDADLO Cc1[nH+]c(N)ccc1CN(C)CC(F)F ZINC001232346666 978027596 /nfs/dbraw/zinc/02/75/96/978027596.db2.gz WNRVYOYCTZLIOM-UHFFFAOYSA-N 1 2 215.247 1.669 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232424111 978056572 /nfs/dbraw/zinc/05/65/72/978056572.db2.gz CDYWJQOAAQGXJN-MRVPVSSYSA-N 1 2 209.268 1.442 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232424111 978056583 /nfs/dbraw/zinc/05/65/83/978056583.db2.gz CDYWJQOAAQGXJN-MRVPVSSYSA-N 1 2 209.268 1.442 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ncccn2)c[nH+]1 ZINC001232458101 978082934 /nfs/dbraw/zinc/08/29/34/978082934.db2.gz DGMLYIZQBCVXLZ-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2ncccn2)[nH+]1 ZINC001232458101 978082942 /nfs/dbraw/zinc/08/29/42/978082942.db2.gz DGMLYIZQBCVXLZ-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(CCC2)C1 ZINC001595527113 978083403 /nfs/dbraw/zinc/08/34/03/978083403.db2.gz QGPLYNQLAHJZMA-LLVKDONJSA-N 1 2 245.326 1.458 20 0 BDADLO Cc1[nH]c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c[nH+]1 ZINC001232460973 978098951 /nfs/dbraw/zinc/09/89/51/978098951.db2.gz XFILWSIDVKCWHX-ZJUUUORDSA-N 1 2 243.257 1.184 20 0 BDADLO CC[C@H](F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001337012017 978125529 /nfs/dbraw/zinc/12/55/29/978125529.db2.gz OCEWEJKSELYOSC-BDAKNGLRSA-N 1 2 213.256 1.136 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccc(CF)cc1 ZINC001595684492 978127442 /nfs/dbraw/zinc/12/74/42/978127442.db2.gz KKWQOYMAZOYRSH-UHFFFAOYSA-N 1 2 247.273 1.783 20 0 BDADLO COCC1C[NH+](Cc2cc(F)ccn2)C1 ZINC001232489831 978137988 /nfs/dbraw/zinc/13/79/88/978137988.db2.gz CONUDEUYFUTUAC-UHFFFAOYSA-N 1 2 210.252 1.299 20 0 BDADLO COc1ncnc(OC)c1C[NH+]1CC2CC(C2)C1 ZINC001232517835 978161290 /nfs/dbraw/zinc/16/12/90/978161290.db2.gz AMLCPZPVQWIJPY-UHFFFAOYSA-N 1 2 249.314 1.336 20 0 BDADLO COc1cccc(C)c1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001232625306 978200398 /nfs/dbraw/zinc/20/03/98/978200398.db2.gz NZBISPGYIVUERR-TXEJJXNPSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001232625306 978200406 /nfs/dbraw/zinc/20/04/06/978200406.db2.gz NZBISPGYIVUERR-TXEJJXNPSA-N 1 2 233.311 1.977 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc[nH]c1=S ZINC001176873525 978224518 /nfs/dbraw/zinc/22/45/18/978224518.db2.gz SRBGNRVJAPHYOV-UHFFFAOYSA-N 1 2 248.311 1.596 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001232885859 978323924 /nfs/dbraw/zinc/32/39/24/978323924.db2.gz NDYBAUZOMUOOPD-BETUJISGSA-N 1 2 219.284 1.674 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001232885859 978323932 /nfs/dbraw/zinc/32/39/32/978323932.db2.gz NDYBAUZOMUOOPD-BETUJISGSA-N 1 2 219.284 1.674 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)c(O)c2F)C[C@@H]1O ZINC001232932010 978341402 /nfs/dbraw/zinc/34/14/02/978341402.db2.gz VMHACMCHSUHCPQ-XVKPBYJWSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(O)c2F)C[C@@H]1O ZINC001232932010 978341410 /nfs/dbraw/zinc/34/14/10/978341410.db2.gz VMHACMCHSUHCPQ-XVKPBYJWSA-N 1 2 243.253 1.483 20 0 BDADLO CN(CC(=O)N[C@H]1C[C@H]1C1CC1)c1cccc[nH+]1 ZINC001177417561 978353383 /nfs/dbraw/zinc/35/33/83/978353383.db2.gz NRHGHPMWQLDCKC-RYUDHWBXSA-N 1 2 245.326 1.433 20 0 BDADLO CN(CC(=O)N[C@@H]1C[C@H]1C1CC1)c1cccc[nH+]1 ZINC001177417557 978353670 /nfs/dbraw/zinc/35/36/70/978353670.db2.gz NRHGHPMWQLDCKC-NWDGAFQWSA-N 1 2 245.326 1.433 20 0 BDADLO CN(CC(=O)N[C@@H]1CC=CCC1)c1cccc[nH+]1 ZINC001177416481 978354233 /nfs/dbraw/zinc/35/42/33/978354233.db2.gz DOZXLYZCQREUJJ-GFCCVEGCSA-N 1 2 245.326 1.743 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CCCF ZINC001337510654 978383090 /nfs/dbraw/zinc/38/30/90/978383090.db2.gz SABICLZETVAFLV-UHFFFAOYSA-N 1 2 210.252 1.809 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cnc(C)cc1C ZINC001233008463 978398001 /nfs/dbraw/zinc/39/80/01/978398001.db2.gz REOPWWWAXATMII-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cnc(C)cc1C ZINC001233008463 978398011 /nfs/dbraw/zinc/39/80/11/978398011.db2.gz REOPWWWAXATMII-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nncn2C)cc(C)n1 ZINC001177718636 978421987 /nfs/dbraw/zinc/42/19/87/978421987.db2.gz FWSXBVGKHIERGM-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1nc2ccccn2n1 ZINC001233067551 978454928 /nfs/dbraw/zinc/45/49/28/978454928.db2.gz AYMHWXTVUMJANI-SNVBAGLBSA-N 1 2 216.288 1.714 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1nc2ccccn2n1 ZINC001233067551 978454933 /nfs/dbraw/zinc/45/49/33/978454933.db2.gz AYMHWXTVUMJANI-SNVBAGLBSA-N 1 2 216.288 1.714 20 0 BDADLO COCC[N@H+](Cc1nc2ccccn2n1)C(C)C ZINC001233070667 978461032 /nfs/dbraw/zinc/46/10/32/978461032.db2.gz RBZPTCMCNABHNW-UHFFFAOYSA-N 1 2 248.330 1.586 20 0 BDADLO COCC[N@@H+](Cc1nc2ccccn2n1)C(C)C ZINC001233070667 978461036 /nfs/dbraw/zinc/46/10/36/978461036.db2.gz RBZPTCMCNABHNW-UHFFFAOYSA-N 1 2 248.330 1.586 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C1CC1)n1cc[nH+]c1 ZINC001177926455 978475878 /nfs/dbraw/zinc/47/58/78/978475878.db2.gz IXBYZRAJGNDXFO-SECBINFHSA-N 1 2 221.304 1.749 20 0 BDADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)cnc1C ZINC001233155858 978477367 /nfs/dbraw/zinc/47/73/67/978477367.db2.gz DBUXLWVICVJMSK-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)cnc1C ZINC001233155858 978477371 /nfs/dbraw/zinc/47/73/71/978477371.db2.gz DBUXLWVICVJMSK-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccno1 ZINC001178000357 978485374 /nfs/dbraw/zinc/48/53/74/978485374.db2.gz KLCKIQTXHVCJET-MRVPVSSYSA-N 1 2 234.259 1.208 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)cnc1C ZINC001233163951 978486012 /nfs/dbraw/zinc/48/60/12/978486012.db2.gz NVNYUEJGVRAUCI-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)cnc1C ZINC001233163951 978486016 /nfs/dbraw/zinc/48/60/16/978486016.db2.gz NVNYUEJGVRAUCI-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1nn(C)cc1[C@H](C)Nc1cc(N)nc[nH+]1 ZINC001337769201 978489908 /nfs/dbraw/zinc/48/99/08/978489908.db2.gz QEFHABFZPNYTDL-ZETCQYMHSA-N 1 2 232.291 1.274 20 0 BDADLO CC1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001178102965 978503182 /nfs/dbraw/zinc/50/31/82/978503182.db2.gz QAGKYAKXOAJLFR-MOENNCHZSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc(CO)cc[nH+]2)n[nH]1 ZINC001337902919 978559376 /nfs/dbraw/zinc/55/93/76/978559376.db2.gz SBJSJGYLDFVCSU-SECBINFHSA-N 1 2 246.314 1.649 20 0 BDADLO C[C@@H]1CCN(c2cc(N)nc[nH+]2)C[C@@H]1F ZINC001337918212 978563522 /nfs/dbraw/zinc/56/35/22/978563522.db2.gz ZPJKVVMDGYKQID-SFYZADRCSA-N 1 2 210.256 1.243 20 0 BDADLO CCN1CC[N@H+](Cc2sncc2C)[C@H](C)C1 ZINC001233323501 978563610 /nfs/dbraw/zinc/56/36/10/978563610.db2.gz WPRAZTPEJMBHLH-LLVKDONJSA-N 1 2 239.388 1.978 20 0 BDADLO CCN1CC[N@@H+](Cc2sncc2C)[C@H](C)C1 ZINC001233323501 978563611 /nfs/dbraw/zinc/56/36/11/978563611.db2.gz WPRAZTPEJMBHLH-LLVKDONJSA-N 1 2 239.388 1.978 20 0 BDADLO CC1(F)CN(Cc2cccc3[nH+]ccn32)C1 ZINC001233360731 978573559 /nfs/dbraw/zinc/57/35/59/978573559.db2.gz BMQYGLCMECAUFL-UHFFFAOYSA-N 1 2 219.263 1.878 20 0 BDADLO Nc1cc(N2CCC3(CCCCO3)CC2)[nH+]cn1 ZINC001337954527 978574701 /nfs/dbraw/zinc/57/47/01/978574701.db2.gz BMUBXKVBUQTKHR-UHFFFAOYSA-N 1 2 248.330 1.598 20 0 BDADLO c1cn2c(cccc2CN2CC3(CCO3)C2)[nH+]1 ZINC001233363542 978576169 /nfs/dbraw/zinc/57/61/69/978576169.db2.gz LYINORYSJABTIT-UHFFFAOYSA-N 1 2 229.283 1.309 20 0 BDADLO Nc1cccc(C[N@@H+]2CCCCC23COC3)n1 ZINC001233371484 978583982 /nfs/dbraw/zinc/58/39/82/978583982.db2.gz SRCTZGCBCWVAJO-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO Nc1cccc(C[N@H+]2CCCCC23COC3)n1 ZINC001233371484 978583986 /nfs/dbraw/zinc/58/39/86/978583986.db2.gz SRCTZGCBCWVAJO-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO Nc1cccc(CN2CCCCC23COC3)[nH+]1 ZINC001233371484 978583994 /nfs/dbraw/zinc/58/39/94/978583994.db2.gz SRCTZGCBCWVAJO-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO Nc1cccc(CN2CCC[C@H](F)C(=O)C2)[nH+]1 ZINC001233368934 978584611 /nfs/dbraw/zinc/58/46/11/978584611.db2.gz OPACMMQQJBGMLP-JTQLQIEISA-N 1 2 237.278 1.167 20 0 BDADLO Cc1nc2c(s1)CN(Cc1cccc(N)[nH+]1)C2 ZINC001233372862 978587470 /nfs/dbraw/zinc/58/74/70/978587470.db2.gz ISBKQAWWCKUWAW-UHFFFAOYSA-N 1 2 246.339 1.945 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)[nH+]cn1 ZINC001338009402 978589671 /nfs/dbraw/zinc/58/96/71/978589671.db2.gz CTJGKMLYGANZJI-AXFHLTTASA-N 1 2 248.330 1.189 20 0 BDADLO C[C@@]1(CO)CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446910 978602454 /nfs/dbraw/zinc/60/24/54/978602454.db2.gz NJSIOOLWJPNOQY-LLVKDONJSA-N 1 2 241.722 1.334 20 0 BDADLO C[C@@]1(CO)CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446910 978602457 /nfs/dbraw/zinc/60/24/57/978602457.db2.gz NJSIOOLWJPNOQY-LLVKDONJSA-N 1 2 241.722 1.334 20 0 BDADLO Cc1ncoc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001338242616 978645030 /nfs/dbraw/zinc/64/50/30/978645030.db2.gz MLXTXXUIYVZZBK-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1cc(C[NH+]2CCC(O)(C(F)F)CC2)[nH]n1 ZINC001338444645 978684150 /nfs/dbraw/zinc/68/41/50/978684150.db2.gz BCFRDHOWLCDDRQ-UHFFFAOYSA-N 1 2 245.273 1.310 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2C(=O)CC2(C)C)c1 ZINC001338914533 978751102 /nfs/dbraw/zinc/75/11/02/978751102.db2.gz ABXLNECYAAOUHO-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2C(=O)CC2(C)C)c1 ZINC001338914533 978751106 /nfs/dbraw/zinc/75/11/06/978751106.db2.gz ABXLNECYAAOUHO-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO Cc1c[nH]c(OC2C[NH+](Cc3ccccc3)C2)n1 ZINC001234091986 978770998 /nfs/dbraw/zinc/77/09/98/978770998.db2.gz TZYFBXNYETXHNF-UHFFFAOYSA-N 1 2 243.310 1.981 20 0 BDADLO C[C@@H](CC(F)(F)F)C(=O)NC1C[NH+](C)C1 ZINC001179869010 978785178 /nfs/dbraw/zinc/78/51/78/978785178.db2.gz ULRLMPZLHGFYCR-LURJTMIESA-N 1 2 224.226 1.005 20 0 BDADLO CCn1cc(C(=O)Nc2c(C)c[nH+]cc2C)cn1 ZINC001339102984 978794924 /nfs/dbraw/zinc/79/49/24/978794924.db2.gz LTVIJPKWYGACTB-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO CC(C)=CCc1cnn(CC[NH+]2CCOCC2)c1 ZINC001249952296 978804957 /nfs/dbraw/zinc/80/49/57/978804957.db2.gz QTXAFLFDPAJZNZ-UHFFFAOYSA-N 1 2 249.358 1.724 20 0 BDADLO C[NH+]1CC(Oc2ccc([C@H]3CCC(=O)N3)cc2)C1 ZINC001234482154 978846225 /nfs/dbraw/zinc/84/62/25/978846225.db2.gz OFYYXSFDOPYGPG-CYBMUJFWSA-N 1 2 246.310 1.331 20 0 BDADLO O=C([O-])CC1(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001601915236 978867246 /nfs/dbraw/zinc/86/72/46/978867246.db2.gz IABZJJXXMNKYQB-GHMZBOCLSA-N 1 2 238.331 1.068 20 0 BDADLO O=C([O-])CC1(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001601915236 978867249 /nfs/dbraw/zinc/86/72/49/978867249.db2.gz IABZJJXXMNKYQB-GHMZBOCLSA-N 1 2 238.331 1.068 20 0 BDADLO CC(=O)[C@@H](C)[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001277888733 978905091 /nfs/dbraw/zinc/90/50/91/978905091.db2.gz LTANNCRYAUYIAJ-LLVKDONJSA-N 1 2 247.342 1.110 20 0 BDADLO C[C@H](O)C(C)(C)CNc1cc(CO)cc[nH+]1 ZINC001339870561 978931744 /nfs/dbraw/zinc/93/17/44/978931744.db2.gz QUIKTBKAGCMOAJ-VIFPVBQESA-N 1 2 224.304 1.393 20 0 BDADLO CN(C)c1cc(F)cc(OC2C[NH+](C)C2)c1 ZINC001234945293 978936234 /nfs/dbraw/zinc/93/62/34/978936234.db2.gz POOINYZJLYMVQU-UHFFFAOYSA-N 1 2 224.279 1.585 20 0 BDADLO Cc1nc(NCCCc2ccsc2)nc(N)[nH+]1 ZINC001339982427 978951934 /nfs/dbraw/zinc/95/19/34/978951934.db2.gz TVYMRNXYPNFJQB-UHFFFAOYSA-N 1 2 249.343 1.868 20 0 BDADLO Cc1nc(N)nc(NCCCc2ccsc2)[nH+]1 ZINC001339982427 978951936 /nfs/dbraw/zinc/95/19/36/978951936.db2.gz TVYMRNXYPNFJQB-UHFFFAOYSA-N 1 2 249.343 1.868 20 0 BDADLO CN(CC(F)(F)F)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181229232 979023956 /nfs/dbraw/zinc/02/39/56/979023956.db2.gz JIPRIUBPWRYUMS-UHFFFAOYSA-N 1 2 247.220 1.227 20 0 BDADLO Nc1cc(CC(=O)N[C@H]2CC23CCC3)cc[nH+]1 ZINC001181280270 979032171 /nfs/dbraw/zinc/03/21/71/979032171.db2.gz VABQMXUINMTRHH-JTQLQIEISA-N 1 2 231.299 1.265 20 0 BDADLO CCOC(=O)CN(CC)Cc1c(C)[nH+]cn1C ZINC001235550768 979090546 /nfs/dbraw/zinc/09/05/46/979090546.db2.gz WTJPQAZORJIJBH-UHFFFAOYSA-N 1 2 239.319 1.114 20 0 BDADLO Cc1ncn(C)c1C[NH+]1CC(C(F)F)C1 ZINC001235568269 979095781 /nfs/dbraw/zinc/09/57/81/979095781.db2.gz MWEFNYQPBAGIEM-UHFFFAOYSA-N 1 2 215.247 1.425 20 0 BDADLO O=C([O-])c1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC001602438767 979114184 /nfs/dbraw/zinc/11/41/84/979114184.db2.gz KKWFFNJXJBNGED-CYBMUJFWSA-N 1 2 248.326 1.617 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235681990 979117699 /nfs/dbraw/zinc/11/76/99/979117699.db2.gz GKRCKHQREYIKCE-SNVBAGLBSA-N 1 2 249.289 1.923 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235681990 979117702 /nfs/dbraw/zinc/11/77/02/979117702.db2.gz GKRCKHQREYIKCE-SNVBAGLBSA-N 1 2 249.289 1.923 20 0 BDADLO OCCCC[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001235814109 979157729 /nfs/dbraw/zinc/15/77/29/979157729.db2.gz AGFXUNRSBDWDCT-UHFFFAOYSA-N 1 2 241.722 1.261 20 0 BDADLO OCCCC[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001235814109 979157743 /nfs/dbraw/zinc/15/77/43/979157743.db2.gz AGFXUNRSBDWDCT-UHFFFAOYSA-N 1 2 241.722 1.261 20 0 BDADLO CCc1noc(C)c1C[NH2+][C@H]1CCn2ccnc21 ZINC001181944118 979379718 /nfs/dbraw/zinc/37/97/18/979379718.db2.gz BEVXUKNEKOPWSW-LBPRGKRZSA-N 1 2 246.314 1.977 20 0 BDADLO COc1ccnc(NC(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC001341442777 979405056 /nfs/dbraw/zinc/40/50/56/979405056.db2.gz TUOWZHCPAHUEPH-SSDOTTSWSA-N 1 2 245.229 1.011 20 0 BDADLO C[C@@H](c1ncccn1)N1CCn2c[nH+]cc2C1 ZINC001341478042 979424976 /nfs/dbraw/zinc/42/49/76/979424976.db2.gz BHXDHVMAVZSHBH-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[N@H+](Cc1nc(CO)cs1)CC(C)(C)CO ZINC001182087992 979434818 /nfs/dbraw/zinc/43/48/18/979434818.db2.gz SELSWUVHDTYDFO-UHFFFAOYSA-N 1 2 244.360 1.086 20 0 BDADLO C[N@@H+](Cc1nc(CO)cs1)CC(C)(C)CO ZINC001182087992 979434823 /nfs/dbraw/zinc/43/48/23/979434823.db2.gz SELSWUVHDTYDFO-UHFFFAOYSA-N 1 2 244.360 1.086 20 0 BDADLO C[N@H+](CCO)Cc1cc(F)cnc1Cl ZINC001236253090 979471533 /nfs/dbraw/zinc/47/15/33/979471533.db2.gz FBQGBVSBGKPFTG-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@@H+](CCO)Cc1cc(F)cnc1Cl ZINC001236253090 979471537 /nfs/dbraw/zinc/47/15/37/979471537.db2.gz FBQGBVSBGKPFTG-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO Nc1ccc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001236315486 979527039 /nfs/dbraw/zinc/52/70/39/979527039.db2.gz BDCQGOVGFSKFEC-UHFFFAOYSA-N 1 2 226.283 1.727 20 0 BDADLO COC(=O)c1nccc(-c2ccc(N)[nH+]c2)c1C ZINC001236316929 979530386 /nfs/dbraw/zinc/53/03/86/979530386.db2.gz QPKAYEUJZSVSNJ-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO O=C(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC001182669519 979587339 /nfs/dbraw/zinc/58/73/39/979587339.db2.gz XXODQJRROQUCKY-JTQLQIEISA-N 1 2 247.298 1.095 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C[C@H]1C(=O)[O-] ZINC001604332834 979622064 /nfs/dbraw/zinc/62/20/64/979622064.db2.gz MHADARXQZVASQX-IVZWLZJFSA-N 1 2 228.336 1.025 20 0 BDADLO COc1ccnc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)c1 ZINC001182830649 979656006 /nfs/dbraw/zinc/65/60/06/979656006.db2.gz TZAHFFBZILWSOQ-NSHDSACASA-N 1 2 249.314 1.511 20 0 BDADLO COc1ccnc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)c1 ZINC001182830649 979656012 /nfs/dbraw/zinc/65/60/12/979656012.db2.gz TZAHFFBZILWSOQ-NSHDSACASA-N 1 2 249.314 1.511 20 0 BDADLO OCc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001203189309 979661995 /nfs/dbraw/zinc/66/19/95/979661995.db2.gz QKAYLYDHUPIZRK-UHFFFAOYSA-N 1 2 219.284 1.154 20 0 BDADLO OCc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001203189309 979661997 /nfs/dbraw/zinc/66/19/97/979661997.db2.gz QKAYLYDHUPIZRK-UHFFFAOYSA-N 1 2 219.284 1.154 20 0 BDADLO C[N@H+](Cc1nccnc1Cl)CC1(C)COC1 ZINC001236616274 979679665 /nfs/dbraw/zinc/67/96/65/979679665.db2.gz WUNIIKJWKMNVQJ-UHFFFAOYSA-N 1 2 241.722 1.598 20 0 BDADLO C[N@@H+](Cc1nccnc1Cl)CC1(C)COC1 ZINC001236616274 979679670 /nfs/dbraw/zinc/67/96/70/979679670.db2.gz WUNIIKJWKMNVQJ-UHFFFAOYSA-N 1 2 241.722 1.598 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(F)c(O)c1 ZINC001236703541 979698355 /nfs/dbraw/zinc/69/83/55/979698355.db2.gz PCXSHYRACOQWQY-UHFFFAOYSA-N 1 2 240.278 1.099 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3occc32)CC(=O)N1 ZINC001236735832 979718274 /nfs/dbraw/zinc/71/82/74/979718274.db2.gz UIJSBOVVMAELQY-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3occc32)CC(=O)N1 ZINC001236735832 979718285 /nfs/dbraw/zinc/71/82/85/979718285.db2.gz UIJSBOVVMAELQY-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001604815112 979726911 /nfs/dbraw/zinc/72/69/11/979726911.db2.gz PYMVCWQTPBJFRH-GZMMTYOYSA-N 1 2 238.287 1.065 20 0 BDADLO CC[C@](C)(CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC001604903594 979761373 /nfs/dbraw/zinc/76/13/73/979761373.db2.gz ONQQMBFATUECMZ-LLVKDONJSA-N 1 2 225.292 1.116 20 0 BDADLO CC[C@H]([NH3+])C[N@H+](C)Cc1sccc1C(=O)[O-] ZINC001236868696 979771058 /nfs/dbraw/zinc/77/10/58/979771058.db2.gz GFNMGDHIXCVLNV-QMMMGPOBSA-N 1 2 242.344 1.615 20 0 BDADLO CC[C@H]([NH3+])C[N@@H+](C)Cc1sccc1C(=O)[O-] ZINC001236868696 979771065 /nfs/dbraw/zinc/77/10/65/979771065.db2.gz GFNMGDHIXCVLNV-QMMMGPOBSA-N 1 2 242.344 1.615 20 0 BDADLO Cc1cc(=O)n(Cc2cc[nH+]c(N(C)C)c2)cn1 ZINC001342569200 979829296 /nfs/dbraw/zinc/82/92/96/979829296.db2.gz JOMVXKINNCTWQJ-UHFFFAOYSA-N 1 2 244.298 1.061 20 0 BDADLO O=C1C[N@H+](Cc2ccc3cccccc2-3)CCN1 ZINC001237183405 979834457 /nfs/dbraw/zinc/83/44/57/979834457.db2.gz AFBFHSFQVIRNKJ-UHFFFAOYSA-N 1 2 240.306 1.723 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3cccccc2-3)CCN1 ZINC001237183405 979834459 /nfs/dbraw/zinc/83/44/59/979834459.db2.gz AFBFHSFQVIRNKJ-UHFFFAOYSA-N 1 2 240.306 1.723 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](CC2OC=CC2=S)CCO1 ZINC001237186291 979835796 /nfs/dbraw/zinc/83/57/96/979835796.db2.gz KRDPIRJGCXNKLO-VIFPVBQESA-N 1 2 241.312 1.358 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](CC2OC=CC2=S)CCO1 ZINC001237186291 979835798 /nfs/dbraw/zinc/83/57/98/979835798.db2.gz KRDPIRJGCXNKLO-VIFPVBQESA-N 1 2 241.312 1.358 20 0 BDADLO CC[N@@H+](CC(=O)OC)CC1OC=CC1=S ZINC001237186362 979836984 /nfs/dbraw/zinc/83/69/84/979836984.db2.gz LVQVSOGLJUMIPX-UHFFFAOYSA-N 1 2 229.301 1.563 20 0 BDADLO CC[N@H+](CC(=O)OC)CC1OC=CC1=S ZINC001237186362 979836986 /nfs/dbraw/zinc/83/69/86/979836986.db2.gz LVQVSOGLJUMIPX-UHFFFAOYSA-N 1 2 229.301 1.563 20 0 BDADLO Nc1cccc(C[NH+]2CCC(=O)CC2)c1 ZINC001237217006 979847499 /nfs/dbraw/zinc/84/74/99/979847499.db2.gz LAPMJGJCXHHYLS-UHFFFAOYSA-N 1 2 204.273 1.434 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)c1ncc[nH]1)n1cc[nH+]c1 ZINC001183535006 979847624 /nfs/dbraw/zinc/84/76/24/979847624.db2.gz DFWMRXZLJRNPHO-ZJUUUORDSA-N 1 2 247.302 1.435 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CSC[C@H]1C)n1cc[nH+]c1 ZINC001342699906 979869786 /nfs/dbraw/zinc/86/97/86/979869786.db2.gz LIEJWGXVWDVLBD-UTLUCORTSA-N 1 2 239.344 1.312 20 0 BDADLO CC[C@@H](C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935686 979903344 /nfs/dbraw/zinc/90/33/44/979903344.db2.gz KZUZTZPNDUSTRV-SECBINFHSA-N 1 2 221.304 1.511 20 0 BDADLO Nc1ccc(CCC(=O)N[C@H]2C[C@@H]2C2CC2)c[nH+]1 ZINC001183940011 979907305 /nfs/dbraw/zinc/90/73/05/979907305.db2.gz WAAYUIYBKKQMER-NEPJUHHUSA-N 1 2 245.326 1.511 20 0 BDADLO Nc1ccc(CCC(=O)Nc2ccnnc2)c[nH+]1 ZINC001183930086 979909258 /nfs/dbraw/zinc/90/92/58/979909258.db2.gz ZTDULZXADTWADC-UHFFFAOYSA-N 1 2 243.270 1.025 20 0 BDADLO C[C@@]1(C(=O)NCCNc2cccc[nH+]2)C=CCC1 ZINC001342865072 979923739 /nfs/dbraw/zinc/92/37/39/979923739.db2.gz XEKKCTVZVRYAKD-CQSZACIVSA-N 1 2 245.326 1.966 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccn2nccc2c1 ZINC001237544041 979935848 /nfs/dbraw/zinc/93/58/48/979935848.db2.gz CCGPXOKRGOGPJB-AAEUAGOBSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccn2nccc2c1 ZINC001237544041 979935857 /nfs/dbraw/zinc/93/58/57/979935857.db2.gz CCGPXOKRGOGPJB-AAEUAGOBSA-N 1 2 249.289 1.239 20 0 BDADLO OCc1cnc(NCCCCn2cc[nH+]c2)cn1 ZINC001342979140 979961000 /nfs/dbraw/zinc/96/10/00/979961000.db2.gz JSUBJTBQCNNFRP-UHFFFAOYSA-N 1 2 247.302 1.058 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccco2)C1 ZINC001203271066 979965237 /nfs/dbraw/zinc/96/52/37/979965237.db2.gz UHBGZFNRYKJBAA-UWVGGRQHSA-N 1 2 213.252 1.432 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccco2)C1 ZINC001203271066 979965243 /nfs/dbraw/zinc/96/52/43/979965243.db2.gz UHBGZFNRYKJBAA-UWVGGRQHSA-N 1 2 213.252 1.432 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001237651908 980011891 /nfs/dbraw/zinc/01/18/91/980011891.db2.gz NAKANLNFVQHQFX-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001237651908 980011898 /nfs/dbraw/zinc/01/18/98/980011898.db2.gz NAKANLNFVQHQFX-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001237652303 980016245 /nfs/dbraw/zinc/01/62/45/980016245.db2.gz RDVZDPYFOPWBDX-GXSJLCMTSA-N 1 2 241.310 1.124 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001237652303 980016252 /nfs/dbraw/zinc/01/62/52/980016252.db2.gz RDVZDPYFOPWBDX-GXSJLCMTSA-N 1 2 241.310 1.124 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CCC23COC3)c1 ZINC001237714245 980034681 /nfs/dbraw/zinc/03/46/81/980034681.db2.gz UKFRWKSMWQJZAH-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CCC23COC3)c1 ZINC001237714245 980034692 /nfs/dbraw/zinc/03/46/92/980034692.db2.gz UKFRWKSMWQJZAH-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc3c2OCC3)C[C@@H]1F ZINC001237746401 980041818 /nfs/dbraw/zinc/04/18/18/980041818.db2.gz OMABDRZQCYPLFK-NWDGAFQWSA-N 1 2 237.274 1.136 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc3c2OCC3)C[C@@H]1F ZINC001237746401 980041827 /nfs/dbraw/zinc/04/18/27/980041827.db2.gz OMABDRZQCYPLFK-NWDGAFQWSA-N 1 2 237.274 1.136 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001237805596 980052999 /nfs/dbraw/zinc/05/29/99/980052999.db2.gz AKDIOMXQTGCIEG-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001237805596 980053012 /nfs/dbraw/zinc/05/30/12/980053012.db2.gz AKDIOMXQTGCIEG-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC[N@@H+]1CCc2onc(C(=O)N3CC=CC3)c2C1 ZINC001278168683 980117104 /nfs/dbraw/zinc/11/71/04/980117104.db2.gz TUEHHIKIOXRBFR-UHFFFAOYSA-N 1 2 247.298 1.065 20 0 BDADLO CC[N@H+]1CCc2onc(C(=O)N3CC=CC3)c2C1 ZINC001278168683 980117106 /nfs/dbraw/zinc/11/71/06/980117106.db2.gz TUEHHIKIOXRBFR-UHFFFAOYSA-N 1 2 247.298 1.065 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001238106515 980154200 /nfs/dbraw/zinc/15/42/00/980154200.db2.gz LVQMWMFGUQWEPT-LLVKDONJSA-N 1 2 248.326 1.363 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001238106515 980154212 /nfs/dbraw/zinc/15/42/12/980154212.db2.gz LVQMWMFGUQWEPT-LLVKDONJSA-N 1 2 248.326 1.363 20 0 BDADLO CC[N@H+](Cc1coc(C)n1)[C@H](C)CNC(C)=O ZINC001151430079 980157427 /nfs/dbraw/zinc/15/74/27/980157427.db2.gz NDUBSSYJBIFUFM-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO CC[N@@H+](Cc1coc(C)n1)[C@H](C)CNC(C)=O ZINC001151430079 980157430 /nfs/dbraw/zinc/15/74/30/980157430.db2.gz NDUBSSYJBIFUFM-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1c(N)ccnc1F ZINC001238158393 980166886 /nfs/dbraw/zinc/16/68/86/980166886.db2.gz WTLXHHAMIVUEGJ-MRVPVSSYSA-N 1 2 225.267 1.024 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1c(N)ccnc1F ZINC001238158393 980166898 /nfs/dbraw/zinc/16/68/98/980166898.db2.gz WTLXHHAMIVUEGJ-MRVPVSSYSA-N 1 2 225.267 1.024 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(N)ccnc2F)CCCO1 ZINC001238153900 980177660 /nfs/dbraw/zinc/17/76/60/980177660.db2.gz QDUXUKJEDGFWDB-SECBINFHSA-N 1 2 239.294 1.414 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(N)ccnc2F)CCCO1 ZINC001238153900 980177663 /nfs/dbraw/zinc/17/76/63/980177663.db2.gz QDUXUKJEDGFWDB-SECBINFHSA-N 1 2 239.294 1.414 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1C[C@H]1F ZINC001343733557 980226258 /nfs/dbraw/zinc/22/62/58/980226258.db2.gz OASSPBWBDVDDTF-VHSXEESVSA-N 1 2 226.251 1.254 20 0 BDADLO O=C([O-])[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC001608551583 980231989 /nfs/dbraw/zinc/23/19/89/980231989.db2.gz XFOBUTNXJFDDKI-LBPRGKRZSA-N 1 2 249.314 1.172 20 0 BDADLO O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC001608623392 980249812 /nfs/dbraw/zinc/24/98/12/980249812.db2.gz QXZVYSRRLZGQNS-GHMZBOCLSA-N 1 2 237.303 1.116 20 0 BDADLO Cc1nc(N[C@H]2CCC3(C2)OCCO3)cc[nH+]1 ZINC001185958503 980306950 /nfs/dbraw/zinc/30/69/50/980306950.db2.gz UFFVSSYHRWCJJW-JTQLQIEISA-N 1 2 235.287 1.493 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000074673199 980382232 /nfs/dbraw/zinc/38/22/32/980382232.db2.gz XFVOFUVMZYNPNA-JTQLQIEISA-N 1 2 229.283 1.830 20 0 BDADLO CC1=CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001344491590 980406511 /nfs/dbraw/zinc/40/65/11/980406511.db2.gz XZXOMCRXYILOQU-NSHDSACASA-N 1 2 219.288 1.623 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC001344539062 980418526 /nfs/dbraw/zinc/41/85/26/980418526.db2.gz LUUTVJJDMBMOFY-USZNOCQGSA-N 1 2 233.315 1.749 20 0 BDADLO CCc1ncoc1C(=O)OCc1c[nH+]cn1C ZINC001344822034 980476978 /nfs/dbraw/zinc/47/69/78/980476978.db2.gz GTTASSFBYWKNTB-UHFFFAOYSA-N 1 2 235.243 1.328 20 0 BDADLO Cc1cc(Nc2cc(C)c[nH+]c2C)n(CCO)n1 ZINC001203654684 980479940 /nfs/dbraw/zinc/47/99/40/980479940.db2.gz PKQYVCVQDUOFTF-UHFFFAOYSA-N 1 2 246.314 1.939 20 0 BDADLO Cc1noc(Nc2cc(C)c[nH+]c2C)c1C(N)=O ZINC001203655214 980485606 /nfs/dbraw/zinc/48/56/06/980485606.db2.gz XZWTXJSDPTYLAG-UHFFFAOYSA-N 1 2 246.270 1.837 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2nccnc2C(N)=O)c1 ZINC001203655793 980494538 /nfs/dbraw/zinc/49/45/38/980494538.db2.gz AVJCQTKYLRNGEK-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cnoc2)cc1 ZINC001239189572 980494651 /nfs/dbraw/zinc/49/46/51/980494651.db2.gz XPYAYTCXUWXURP-NSHDSACASA-N 1 2 232.239 1.514 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCCCc1c[nH+]cn1C ZINC001344916996 980501072 /nfs/dbraw/zinc/50/10/72/980501072.db2.gz MOYWJLHMIDWEPO-KOLCDFICSA-N 1 2 222.288 1.552 20 0 BDADLO Cc1c[nH]cc1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001187796658 980550687 /nfs/dbraw/zinc/55/06/87/980550687.db2.gz MNNXVVDEDTVXEC-UHFFFAOYSA-N 1 2 244.298 1.218 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001187926109 980571643 /nfs/dbraw/zinc/57/16/43/980571643.db2.gz AXFFXKWFIULZGU-FXBDTBDDSA-N 1 2 245.286 1.095 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345254102 980590697 /nfs/dbraw/zinc/59/06/97/980590697.db2.gz VSEGNENFBGYGIP-NXEZZACHSA-N 1 2 222.288 1.817 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc(C)[nH+]2)c[nH]1 ZINC001188200631 980618854 /nfs/dbraw/zinc/61/88/54/980618854.db2.gz AZCYLPHUVLTFIH-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO Cc1cnc(F)cc1CC[NH+]1CCOCC1 ZINC001250276185 980644261 /nfs/dbraw/zinc/64/42/61/980644261.db2.gz AAJJOBHVECIGAZ-UHFFFAOYSA-N 1 2 224.279 1.404 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CC12CC2 ZINC001345610027 980645583 /nfs/dbraw/zinc/64/55/83/980645583.db2.gz NPZIWSLMQPZUND-SNVBAGLBSA-N 1 2 220.272 1.746 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@H]1F ZINC001345608917 980645643 /nfs/dbraw/zinc/64/56/43/980645643.db2.gz BLUAZPSXQRNBKC-DTWKUNHWSA-N 1 2 212.224 1.304 20 0 BDADLO Oc1cc(CC[NH+]2CCOCC2)ccc1F ZINC001250277270 980650469 /nfs/dbraw/zinc/65/04/69/980650469.db2.gz ADWNTXKOUMETMB-UHFFFAOYSA-N 1 2 225.263 1.406 20 0 BDADLO CC(C)n1ccc(CC[NH+]2CCOCC2)n1 ZINC001250278069 980651180 /nfs/dbraw/zinc/65/11/80/980651180.db2.gz SGPPXCLJBXLCQM-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO C[C@@H](Cc1nnc(C[NH+](C)C)o1)C1CC1 ZINC001345942185 980714196 /nfs/dbraw/zinc/71/41/96/980714196.db2.gz XGFXUYNHQDNBFT-QMMMGPOBSA-N 1 2 209.293 1.720 20 0 BDADLO Nc1n[nH]c2ccc(CCn3cc[nH+]c3)cc12 ZINC001250318368 980759703 /nfs/dbraw/zinc/75/97/03/980759703.db2.gz FBLIQWIXKGZSCC-UHFFFAOYSA-N 1 2 227.271 1.584 20 0 BDADLO COc1ccc(C(N)=O)cc1CCn1cc[nH+]c1 ZINC001250319492 980764662 /nfs/dbraw/zinc/76/46/62/980764662.db2.gz FUNKCXJXQQGXQF-UHFFFAOYSA-N 1 2 245.282 1.233 20 0 BDADLO Cc1ccnc(NC(=O)CCc2[nH+]ccn2C)c1 ZINC001346284369 980804965 /nfs/dbraw/zinc/80/49/65/980804965.db2.gz RHOUFNBJRIOFKW-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO N=CNC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190108039 980846693 /nfs/dbraw/zinc/84/66/93/980846693.db2.gz YPZSOUYGLPDHKU-UHFFFAOYSA-N 1 2 214.228 1.209 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001346592726 980867296 /nfs/dbraw/zinc/86/72/96/980867296.db2.gz XNPHJQSFKLZYSX-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO Cn1cccc1CNC(=O)CCc1[nH+]ccn1C ZINC001346612055 980868919 /nfs/dbraw/zinc/86/89/19/980868919.db2.gz PVQUMXYFRNDFFL-UHFFFAOYSA-N 1 2 246.314 1.008 20 0 BDADLO CCCCNC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001190588889 980893674 /nfs/dbraw/zinc/89/36/74/980893674.db2.gz JDLAHPYFSLOUKK-UHFFFAOYSA-N 1 2 233.315 1.914 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccnn1C ZINC001346867051 980923418 /nfs/dbraw/zinc/92/34/18/980923418.db2.gz FMIRSDBRZFSHMV-KXUCPTDWSA-N 1 2 246.318 1.368 20 0 BDADLO CN1CCOc2cc(CC3CCOCC3)c[nH+]c21 ZINC001250393850 980928001 /nfs/dbraw/zinc/92/80/01/980928001.db2.gz WZTAWMMEBUAKHT-UHFFFAOYSA-N 1 2 248.326 1.879 20 0 BDADLO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001190977576 980953995 /nfs/dbraw/zinc/95/39/95/980953995.db2.gz RPDGBOIZVNDOIB-VHSXEESVSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@@H]1CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001190977576 980954009 /nfs/dbraw/zinc/95/40/09/980954009.db2.gz RPDGBOIZVNDOIB-VHSXEESVSA-N 1 2 241.360 1.958 20 0 BDADLO CS[C@@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001347104038 980973448 /nfs/dbraw/zinc/97/34/48/980973448.db2.gz JQBFGUWLQUYZTL-DTWKUNHWSA-N 1 2 226.349 1.521 20 0 BDADLO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001347104038 980973453 /nfs/dbraw/zinc/97/34/53/980973453.db2.gz JQBFGUWLQUYZTL-DTWKUNHWSA-N 1 2 226.349 1.521 20 0 BDADLO CCN(C(=O)Nc1ccccn1)C1C[NH+](C)C1 ZINC001191325997 981022046 /nfs/dbraw/zinc/02/20/46/981022046.db2.gz PCKFJPSZTJCAFF-UHFFFAOYSA-N 1 2 234.303 1.249 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)n1cccc1 ZINC001347420886 981075449 /nfs/dbraw/zinc/07/54/49/981075449.db2.gz BGMVSHRWNMMHCT-NSHDSACASA-N 1 2 244.298 1.288 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001347488277 981097496 /nfs/dbraw/zinc/09/74/96/981097496.db2.gz NTDGUTONBZCCHT-MFKMUULPSA-N 1 2 247.342 1.847 20 0 BDADLO O=C(C[C@H]1CCCOC1)N1CCn2c[nH+]cc2C1 ZINC001347526098 981108043 /nfs/dbraw/zinc/10/80/43/981108043.db2.gz GKNSCJCMVVILBC-LLVKDONJSA-N 1 2 249.314 1.042 20 0 BDADLO O=C([C@H]1C[C@H]1F)N1CC(Oc2cc[nH+]cc2)C1 ZINC001347580251 981123111 /nfs/dbraw/zinc/12/31/11/981123111.db2.gz HENXNRQNTMGUHU-WDEREUQCSA-N 1 2 236.246 1.029 20 0 BDADLO O=C(NCCC(F)F)[C@H]1CCn2c[nH+]cc2C1 ZINC001347607955 981124628 /nfs/dbraw/zinc/12/46/28/981124628.db2.gz QMQFTEGSFHQKEN-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1nccs1 ZINC001347971086 981231059 /nfs/dbraw/zinc/23/10/59/981231059.db2.gz GOYUILUACUFIQM-UHFFFAOYSA-N 1 2 237.284 1.717 20 0 BDADLO Cn1cc(-c2ccn3cc[nH+]c3c2)ccc1=O ZINC001240332726 981302568 /nfs/dbraw/zinc/30/25/68/981302568.db2.gz KOYOAIDLLXVVNC-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO Nc1cn2ccc(-c3cncnc3)cc2[nH+]1 ZINC001240374327 981322155 /nfs/dbraw/zinc/32/21/55/981322155.db2.gz RBVUTGYAPMZSJQ-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cncnc1 ZINC001240375867 981325975 /nfs/dbraw/zinc/32/59/75/981325975.db2.gz VITJMLWGGYAWOA-UHFFFAOYSA-N 1 2 214.272 1.913 20 0 BDADLO C/C=C/C=C\C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001348485522 981372787 /nfs/dbraw/zinc/37/27/87/981372787.db2.gz ODACCQRRWYHBFU-DEQVHDEQSA-N 1 2 249.314 1.485 20 0 BDADLO Fc1cnc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240510091 981433503 /nfs/dbraw/zinc/43/35/03/981433503.db2.gz AYHHMDGVVWDRMC-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO Nc1ncc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240511037 981435530 /nfs/dbraw/zinc/43/55/30/981435530.db2.gz ZQGDUVUUJUDKDP-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO CC1=CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001349368185 981538463 /nfs/dbraw/zinc/53/84/63/981538463.db2.gz LUFILWWBIGKOHF-UHFFFAOYSA-N 1 2 233.315 1.531 20 0 BDADLO C[C@@H](O)c1ncc(C[NH2+]Cc2ccno2)s1 ZINC001349409918 981539682 /nfs/dbraw/zinc/53/96/82/981539682.db2.gz IYOBUSAXYDCSPX-SSDOTTSWSA-N 1 2 239.300 1.474 20 0 BDADLO CCCOC(=O)N(CC)C1C[NH+](C)C1 ZINC001194113582 981557976 /nfs/dbraw/zinc/55/79/76/981557976.db2.gz XBZPTGJPVJFFMW-UHFFFAOYSA-N 1 2 200.282 1.169 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC23CCC3)c1 ZINC001583333811 981812320 /nfs/dbraw/zinc/81/23/20/981812320.db2.gz ROIDILRXGSGMBG-NSHDSACASA-N 1 2 233.315 1.269 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001349929850 981818356 /nfs/dbraw/zinc/81/83/56/981818356.db2.gz KSMMPBSEKFMVEL-GRYCIOLGSA-N 1 2 247.342 1.658 20 0 BDADLO Cc1coc(C(=O)NCCc2cn(C)c[nH+]2)c1C ZINC001584478774 981874754 /nfs/dbraw/zinc/87/47/54/981874754.db2.gz RRMPSDLXPJYMIQ-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc2c1OCC2 ZINC001584640886 981880136 /nfs/dbraw/zinc/88/01/36/981880136.db2.gz WWJHHEUFBWYEGJ-UHFFFAOYSA-N 1 2 243.266 1.526 20 0 BDADLO CC[C@H](C)COC(=O)N1CCn2c[nH+]cc2C1 ZINC001194793609 981880086 /nfs/dbraw/zinc/88/00/86/981880086.db2.gz QMSLSSZXWJGFJC-JTQLQIEISA-N 1 2 237.303 1.881 20 0 BDADLO Cc1nc(NC(=O)[C@@H](C)n2cc[nH+]c2)oc1C ZINC001584988036 981897207 /nfs/dbraw/zinc/89/72/07/981897207.db2.gz DBFTWDCTPKHUTA-MRVPVSSYSA-N 1 2 234.259 1.688 20 0 BDADLO Cc1cnc(NC(=O)CCc2[nH+]ccn2C)o1 ZINC001350290059 981912440 /nfs/dbraw/zinc/91/24/40/981912440.db2.gz RWDYRIGPTKKXRG-UHFFFAOYSA-N 1 2 234.259 1.288 20 0 BDADLO CCO[C@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001350333261 981929963 /nfs/dbraw/zinc/92/99/63/981929963.db2.gz HSFYAOPDDKIPAR-SECBINFHSA-N 1 2 226.276 1.371 20 0 BDADLO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc[nH]1 ZINC001350365307 981944862 /nfs/dbraw/zinc/94/48/62/981944862.db2.gz RCHNKFJROVXTHL-SNVBAGLBSA-N 1 2 246.314 1.573 20 0 BDADLO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nnc[nH]1 ZINC001350365307 981944867 /nfs/dbraw/zinc/94/48/67/981944867.db2.gz RCHNKFJROVXTHL-SNVBAGLBSA-N 1 2 246.314 1.573 20 0 BDADLO CCN(C(=O)OCCC(C)C)C1C[NH+](C)C1 ZINC001194870011 981946367 /nfs/dbraw/zinc/94/63/67/981946367.db2.gz HGLNYYMFZBVVLH-UHFFFAOYSA-N 1 2 228.336 1.805 20 0 BDADLO C/C=C\C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001350586579 982011772 /nfs/dbraw/zinc/01/17/72/982011772.db2.gz VVKHYMANUNDFBD-FHMRSRPSSA-N 1 2 247.342 1.777 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C2CC2)CCOCC1 ZINC001350717351 982055380 /nfs/dbraw/zinc/05/53/80/982055380.db2.gz MMQHCNYHQUGIEU-UHFFFAOYSA-N 1 2 249.314 1.028 20 0 BDADLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001350959153 982138711 /nfs/dbraw/zinc/13/87/11/982138711.db2.gz XGKBEHPMBHJBHU-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001351161223 982223369 /nfs/dbraw/zinc/22/33/69/982223369.db2.gz FDESCYSCQHUXEK-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC001351161223 982223380 /nfs/dbraw/zinc/22/33/80/982223380.db2.gz FDESCYSCQHUXEK-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO CCOCCOCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001351294119 982273885 /nfs/dbraw/zinc/27/38/85/982273885.db2.gz IWLPKELCKFXJNZ-VIFPVBQESA-N 1 2 243.307 1.082 20 0 BDADLO Cc1cc[nH]c1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001195493394 982292456 /nfs/dbraw/zinc/29/24/56/982292456.db2.gz DWCQDEGVRLAFNH-UHFFFAOYSA-N 1 2 244.298 1.218 20 0 BDADLO CC(=O)Nc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241163319 982304329 /nfs/dbraw/zinc/30/43/29/982304329.db2.gz ULRANDWRRATAMC-UHFFFAOYSA-N 1 2 228.255 1.684 20 0 BDADLO Cc1nc(C(N)=O)ccc1-c1cc[nH+]c(N)c1 ZINC001241169999 982312570 /nfs/dbraw/zinc/31/25/70/982312570.db2.gz TVVHPFUUDIYKBG-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO CNC(=O)c1ncc(-c2cc[nH+]c(N)c2)cc1C ZINC001241175397 982323939 /nfs/dbraw/zinc/32/39/39/982323939.db2.gz AIRJOUBHNMPSAU-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001195895221 982365154 /nfs/dbraw/zinc/36/51/54/982365154.db2.gz YBYWYLHRXCEQCU-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC001250965124 982400016 /nfs/dbraw/zinc/40/00/16/982400016.db2.gz QWWFPGQPEPWFKY-DSYKOEDSSA-N 1 2 215.190 1.342 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC001250965124 982400021 /nfs/dbraw/zinc/40/00/21/982400021.db2.gz QWWFPGQPEPWFKY-DSYKOEDSSA-N 1 2 215.190 1.342 20 0 BDADLO CNc1cc(N2CCOCC3(CC3)C2)nc[nH+]1 ZINC001352005581 982434714 /nfs/dbraw/zinc/43/47/14/982434714.db2.gz DZOVMYIMAJVEFJ-UHFFFAOYSA-N 1 2 234.303 1.135 20 0 BDADLO CNc1cc(N2CCOCC3(CC3)C2)[nH+]cn1 ZINC001352005581 982434722 /nfs/dbraw/zinc/43/47/22/982434722.db2.gz DZOVMYIMAJVEFJ-UHFFFAOYSA-N 1 2 234.303 1.135 20 0 BDADLO CCc1cnc(C[NH2+][C@@]2(C)CCNC2=O)s1 ZINC001352098525 982471545 /nfs/dbraw/zinc/47/15/45/982471545.db2.gz HUZAEKIXLMJKBQ-NSHDSACASA-N 1 2 239.344 1.074 20 0 BDADLO Cc1noc(C2CC2)c1NC(=O)C[NH+]1CCCC1 ZINC001352227604 982493432 /nfs/dbraw/zinc/49/34/32/982493432.db2.gz DMLICRKBMUZWCN-UHFFFAOYSA-N 1 2 249.314 1.895 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)CCc1[nH+]ccn1C ZINC001352292057 982505986 /nfs/dbraw/zinc/50/59/86/982505986.db2.gz KZBVSKNPYPQHPR-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO CNC(=O)c1cc(-c2ccc(C)c(N)[nH+]2)ccn1 ZINC001241431293 982585626 /nfs/dbraw/zinc/58/56/26/982585626.db2.gz ZUROQGIQRILJCO-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@H](c3cnccn3)C2)n1 ZINC001198158193 982665842 /nfs/dbraw/zinc/66/58/42/982665842.db2.gz ZXFYVKLGTUFPES-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@H](c3cnccn3)C2)n1 ZINC001198158193 982665855 /nfs/dbraw/zinc/66/58/55/982665855.db2.gz ZXFYVKLGTUFPES-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]cccc2C(=O)[O-])CC[NH2+]1 ZINC001589291435 982694916 /nfs/dbraw/zinc/69/49/16/982694916.db2.gz IBVMSDJMYUWPKV-DTWKUNHWSA-N 1 2 235.287 1.332 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cc(C)no2)cn1 ZINC001200244357 982741449 /nfs/dbraw/zinc/74/14/49/982741449.db2.gz SHBGYDQALNPIFO-UHFFFAOYSA-N 1 2 232.287 1.625 20 0 BDADLO C=CS(=O)(=O)Nc1cccc2[nH+]cn(C)c21 ZINC001198609587 982798557 /nfs/dbraw/zinc/79/85/57/982798557.db2.gz HNHILVKJSAMYCC-UHFFFAOYSA-N 1 2 237.284 1.459 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(C(=O)NC2CC2)cc1 ZINC001241594621 982836266 /nfs/dbraw/zinc/83/62/66/982836266.db2.gz WRSSXEJGUYOYSH-UHFFFAOYSA-N 1 2 241.294 1.979 20 0 BDADLO Cc1nc(N)ncc1-c1cc[nH+]c2c1CCN2 ZINC001241648070 982890914 /nfs/dbraw/zinc/89/09/14/982890914.db2.gz AMPPFMCANKYHJC-UHFFFAOYSA-N 1 2 227.271 1.397 20 0 BDADLO C[C@H](O)C[NH+]1CC(Oc2ccccc2)C1 ZINC001251961551 983035196 /nfs/dbraw/zinc/03/51/96/983035196.db2.gz UZIXRVIOCWJYNY-JTQLQIEISA-N 1 2 207.273 1.130 20 0 BDADLO S=C(NCCn1cc[nH+]c1)Nc1cccnc1 ZINC001199887257 983039249 /nfs/dbraw/zinc/03/92/49/983039249.db2.gz GOMMLXDSPAFPSK-UHFFFAOYSA-N 1 2 247.327 1.265 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001251982732 983066214 /nfs/dbraw/zinc/06/62/14/983066214.db2.gz GIQHIDLDBYUESB-RISCZKNCSA-N 1 2 233.311 1.773 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC001251982732 983066227 /nfs/dbraw/zinc/06/62/27/983066227.db2.gz GIQHIDLDBYUESB-RISCZKNCSA-N 1 2 233.311 1.773 20 0 BDADLO CC(C)NC(=S)N1CCc2[nH+]ccn2CC1 ZINC001200783646 983102962 /nfs/dbraw/zinc/10/29/62/983102962.db2.gz BEYBBUJOSSYSNQ-UHFFFAOYSA-N 1 2 238.360 1.024 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001203957694 983117407 /nfs/dbraw/zinc/11/74/07/983117407.db2.gz PKBMFOMQGSLMOR-OKILXGFUSA-N 1 2 246.354 1.974 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001203957694 983117413 /nfs/dbraw/zinc/11/74/13/983117413.db2.gz PKBMFOMQGSLMOR-OKILXGFUSA-N 1 2 246.354 1.974 20 0 BDADLO Cc1cc(NC(=S)NCc2ccco2)cc[nH+]1 ZINC001200552086 983135520 /nfs/dbraw/zinc/13/55/20/983135520.db2.gz JOMFQJCZVXVTRN-UHFFFAOYSA-N 1 2 247.323 1.892 20 0 BDADLO Cc1c[nH+]c(-c2ccc3nn[nH]c3c2)cc1N ZINC001241941105 983155165 /nfs/dbraw/zinc/15/51/65/983155165.db2.gz XCPFYGGFDJROSW-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cn1cnc(Nc2ccc(N)[nH+]c2)c2ncnc1-2 ZINC001201271745 983171170 /nfs/dbraw/zinc/17/11/70/983171170.db2.gz ADTMZIWZHIPTIR-UHFFFAOYSA-N 1 2 241.258 1.036 20 0 BDADLO CCc1nnc(Nc2ccc(N)[nH+]c2)s1 ZINC001201272102 983172263 /nfs/dbraw/zinc/17/22/63/983172263.db2.gz JCBGHRILUBDDAM-UHFFFAOYSA-N 1 2 221.289 1.821 20 0 BDADLO CC(=O)N1CC=C(c2cc[nH+]c(N(C)C)c2)CC1 ZINC001241968013 983176672 /nfs/dbraw/zinc/17/66/72/983176672.db2.gz BZGPZIQOPPQJLY-UHFFFAOYSA-N 1 2 245.326 1.783 20 0 BDADLO COCCn1nc(C)cc1Nc1ccc(N)[nH+]c1 ZINC001201278485 983178039 /nfs/dbraw/zinc/17/80/39/983178039.db2.gz CCJUZQCNAOJMOA-UHFFFAOYSA-N 1 2 247.302 1.559 20 0 BDADLO CCOc1cc(Nc2ccc(N)[nH+]c2)no1 ZINC001201278211 983178937 /nfs/dbraw/zinc/17/89/37/983178937.db2.gz GBAIUEKRUWNRHA-UHFFFAOYSA-N 1 2 220.232 1.794 20 0 BDADLO C[C@H](C[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC001592705945 983193960 /nfs/dbraw/zinc/19/39/60/983193960.db2.gz HYMKUZTWINLRJS-MXWKQRLJSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](C[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC001592705945 983193968 /nfs/dbraw/zinc/19/39/68/983193968.db2.gz HYMKUZTWINLRJS-MXWKQRLJSA-N 1 2 240.347 1.312 20 0 BDADLO CN1C(=O)COc2ccc(-c3[nH]cc[nH+]3)cc21 ZINC001242014875 983212165 /nfs/dbraw/zinc/21/21/65/983212165.db2.gz UBIMAXOADGPBBH-UHFFFAOYSA-N 1 2 229.239 1.432 20 0 BDADLO O=C1C[C@@H](c2cccc(-c3[nH]cc[nH+]3)c2)CN1 ZINC001242015925 983214320 /nfs/dbraw/zinc/21/43/20/983214320.db2.gz RLYWWYMWPWCPLX-LLVKDONJSA-N 1 2 227.267 1.680 20 0 BDADLO NC(=O)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242018527 983221338 /nfs/dbraw/zinc/22/13/38/983221338.db2.gz PPVDOWYKCLCJFG-UHFFFAOYSA-N 1 2 201.229 1.105 20 0 BDADLO C[C@H]([NH3+])C[N@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959629 983225563 /nfs/dbraw/zinc/22/55/63/983225563.db2.gz WFQRQDOUJWXKST-KWQFWETISA-N 1 2 240.278 1.230 20 0 BDADLO C[C@H]([NH3+])C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959629 983225575 /nfs/dbraw/zinc/22/55/75/983225575.db2.gz WFQRQDOUJWXKST-KWQFWETISA-N 1 2 240.278 1.230 20 0 BDADLO CN1CCOc2ccc(-c3[nH]cc[nH+]3)cc21 ZINC001242020171 983228994 /nfs/dbraw/zinc/22/89/94/983228994.db2.gz SHESEYGOLXTLRL-UHFFFAOYSA-N 1 2 215.256 1.905 20 0 BDADLO CNC(=S)NCc1c[nH+]cn1CC1CCC1 ZINC001200616965 983248464 /nfs/dbraw/zinc/24/84/64/983248464.db2.gz BHJKOSVOUDCMSQ-UHFFFAOYSA-N 1 2 238.360 1.277 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](O)[C@H](F)C2)[nH+]1 ZINC001354280514 983251399 /nfs/dbraw/zinc/25/13/99/983251399.db2.gz XPVMKZSCJVTSMD-ZJUUUORDSA-N 1 2 228.242 1.438 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001354482929 983311777 /nfs/dbraw/zinc/31/17/77/983311777.db2.gz FYJZDAIJEIEBPD-SEVUFMINSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001354482929 983311782 /nfs/dbraw/zinc/31/17/82/983311782.db2.gz FYJZDAIJEIEBPD-SEVUFMINSA-N 1 2 241.331 1.463 20 0 BDADLO CC[C@H](C)C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201517233 983316382 /nfs/dbraw/zinc/31/63/82/983316382.db2.gz OJNZLWHJJUPFOK-LBPRGKRZSA-N 1 2 247.342 1.776 20 0 BDADLO CC[C@H](C)C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201517233 983316388 /nfs/dbraw/zinc/31/63/88/983316388.db2.gz OJNZLWHJJUPFOK-LBPRGKRZSA-N 1 2 247.342 1.776 20 0 BDADLO Cc1cc(N(C)C)nc(-c2c[nH+]c(N)cc2C)n1 ZINC001242078406 983327737 /nfs/dbraw/zinc/32/77/37/983327737.db2.gz JZBKLVSRYNRNIA-UHFFFAOYSA-N 1 2 243.314 1.804 20 0 BDADLO CCN1CCN(Cc2cc(C)cc(C)[nH+]2)CC1=O ZINC001354611390 983332194 /nfs/dbraw/zinc/33/21/94/983332194.db2.gz MIISJPNVDVVJKN-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ccc2nncn2n1 ZINC001242089139 983334291 /nfs/dbraw/zinc/33/42/91/983334291.db2.gz ACIPEOULXSSHKU-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO CCCN1CC[N@@H+](Cc2ccccc2)[C@H](CO)C1 ZINC001201634168 983362732 /nfs/dbraw/zinc/36/27/32/983362732.db2.gz NGXUGWTVGDMNCW-HNNXBMFYSA-N 1 2 248.370 1.575 20 0 BDADLO CCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201704490 983417029 /nfs/dbraw/zinc/41/70/29/983417029.db2.gz VIMCPCVYEAIVOA-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO CCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201704490 983417037 /nfs/dbraw/zinc/41/70/37/983417037.db2.gz VIMCPCVYEAIVOA-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCOC2)[nH+]cn1 ZINC001355223002 983451055 /nfs/dbraw/zinc/45/10/55/983451055.db2.gz GVRNUXDAEOZEJA-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCOC2)nc[nH+]1 ZINC001355223002 983451061 /nfs/dbraw/zinc/45/10/61/983451061.db2.gz GVRNUXDAEOZEJA-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO Cn1c[nH+]cc1CNCc1nnc(C2CC2)s1 ZINC001355320265 983468318 /nfs/dbraw/zinc/46/83/18/983468318.db2.gz CFZLNRSKLCLPHI-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCNC2=O ZINC001242324781 983557126 /nfs/dbraw/zinc/55/71/26/983557126.db2.gz PZXHEHDOVCLXFC-UHFFFAOYSA-N 1 2 227.267 1.373 20 0 BDADLO OC1(C(F)(F)F)C[NH+](CC2CCCC2)C1 ZINC001202120389 983569701 /nfs/dbraw/zinc/56/97/01/983569701.db2.gz WILFXAWLZOURQB-UHFFFAOYSA-N 1 2 223.238 1.786 20 0 BDADLO Cc1nc([C@H](C)Nc2cc[nH+]c(C)n2)no1 ZINC000161855009 983583196 /nfs/dbraw/zinc/58/31/96/983583196.db2.gz GNPDPNNUTLKILU-LURJTMIESA-N 1 2 219.248 1.650 20 0 BDADLO CO[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202306949 983617301 /nfs/dbraw/zinc/61/73/01/983617301.db2.gz DNQQEBTUMQCIJM-BQBZGAKWSA-N 1 2 215.190 1.608 20 0 BDADLO CO[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202306949 983617314 /nfs/dbraw/zinc/61/73/14/983617314.db2.gz DNQQEBTUMQCIJM-BQBZGAKWSA-N 1 2 215.190 1.608 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccnn1C ZINC001202389027 983633794 /nfs/dbraw/zinc/63/37/94/983633794.db2.gz ZMVUKDAHALLZLB-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO Cc1ncc(-c2ccn3cc(N)[nH+]c3c2)cc1N ZINC001242410397 983716997 /nfs/dbraw/zinc/71/69/97/983716997.db2.gz WUOCIATZOWRHOJ-UHFFFAOYSA-N 1 2 239.282 1.869 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@@H]1C[C@H]1C1CCC1)C(F)F ZINC001357653739 983749931 /nfs/dbraw/zinc/74/99/31/983749931.db2.gz BUMYADLVUARIRQ-XHNCKOQMSA-N 1 2 232.274 1.274 20 0 BDADLO Cc1ccccc1C1(C(=O)NOC[C@@H](C)[NH3+])CC1 ZINC001357726959 983767597 /nfs/dbraw/zinc/76/75/97/983767597.db2.gz WFWNJSOFXFSCNI-LLVKDONJSA-N 1 2 248.326 1.422 20 0 BDADLO CC[N@H+](CC[NH3+])[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596329517 983767568 /nfs/dbraw/zinc/76/75/68/983767568.db2.gz WAMACAKKFDZUMN-LLVKDONJSA-N 1 2 240.278 1.232 20 0 BDADLO CC[N@@H+](CC[NH3+])[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596329517 983767571 /nfs/dbraw/zinc/76/75/71/983767571.db2.gz WAMACAKKFDZUMN-LLVKDONJSA-N 1 2 240.278 1.232 20 0 BDADLO CC(C)C1(C(=O)OCc2c[nH+]cn2C)COC1 ZINC001357818868 983788240 /nfs/dbraw/zinc/78/82/40/983788240.db2.gz IYDRAEFWYKTRHF-UHFFFAOYSA-N 1 2 238.287 1.136 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001358149382 983831615 /nfs/dbraw/zinc/83/16/15/983831615.db2.gz WVKNNJDLAKKFGG-BDAKNGLRSA-N 1 2 225.267 1.062 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1nn(C)cc1C ZINC001202518895 983852411 /nfs/dbraw/zinc/85/24/11/983852411.db2.gz AXQPGSAHZNXYMG-UHFFFAOYSA-N 1 2 248.330 1.877 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)n1 ZINC001473538810 983888118 /nfs/dbraw/zinc/88/81/18/983888118.db2.gz AACNBPZHUPAXFP-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252799435 983895142 /nfs/dbraw/zinc/89/51/42/983895142.db2.gz RVGILHZVYJKMLY-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001559665920 983929079 /nfs/dbraw/zinc/92/90/79/983929079.db2.gz ULMOTHWKVSOTCD-LPEHRKFASA-N 1 2 247.285 1.915 20 0 BDADLO Cc1oncc1-c1ccn2cc(N)[nH+]c2c1 ZINC001242601453 983949259 /nfs/dbraw/zinc/94/92/59/983949259.db2.gz KXVZZZMKXYLSQR-UHFFFAOYSA-N 1 2 214.228 1.880 20 0 BDADLO Cc1cc(-c2cnc(N3CCC3)nc2)c[nH+]c1N ZINC001242702261 984054066 /nfs/dbraw/zinc/05/40/66/984054066.db2.gz GMHQDVDCNZSVRL-UHFFFAOYSA-N 1 2 241.298 1.639 20 0 BDADLO CN(C)c1cc[nH+]c(-c2ccncn2)c1 ZINC001242915424 984283428 /nfs/dbraw/zinc/28/34/28/984283428.db2.gz FTGXUJXCJKNIKP-UHFFFAOYSA-N 1 2 200.245 1.605 20 0 BDADLO CC(C)[C@@](C)(CO)[NH2+]CC(F)(F)C(F)F ZINC000380051425 984308707 /nfs/dbraw/zinc/30/87/07/984308707.db2.gz XEEIKTHEZUDUDV-MRVPVSSYSA-N 1 2 231.233 1.883 20 0 BDADLO Nc1[nH+]cccc1-c1cncc(CO)c1 ZINC001242971662 984340717 /nfs/dbraw/zinc/34/07/17/984340717.db2.gz ZOXIAQNOFSXXQF-UHFFFAOYSA-N 1 2 201.229 1.218 20 0 BDADLO Cn1cncc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001243066810 984477464 /nfs/dbraw/zinc/47/74/64/984477464.db2.gz FFUOLSQRONDECW-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO COc1cc(-c2c[nH+]cn2C)c2cc[nH]c2n1 ZINC001243070915 984500383 /nfs/dbraw/zinc/50/03/83/984500383.db2.gz BVIRBGNCBAJJJB-UHFFFAOYSA-N 1 2 228.255 1.972 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@@H]1C ZINC001445432389 984595436 /nfs/dbraw/zinc/59/54/36/984595436.db2.gz RZZHMCSQUWIIAE-WPRPVWTQSA-N 1 2 221.304 1.518 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@@H]1C ZINC001445432385 984598409 /nfs/dbraw/zinc/59/84/09/984598409.db2.gz RZZHMCSQUWIIAE-SCZZXKLOSA-N 1 2 221.304 1.518 20 0 BDADLO COC(=O)c1cncc(/C(C)=C/C=C/[NH3+])c1 ZINC001243148027 984611281 /nfs/dbraw/zinc/61/12/81/984611281.db2.gz LOKIAESYDMTSQT-BMVOEDMYSA-N 1 2 218.256 1.744 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]1C1CC1 ZINC001449995388 984855308 /nfs/dbraw/zinc/85/53/08/984855308.db2.gz AHZMYJGUABUQQQ-RYUDHWBXSA-N 1 2 245.326 1.456 20 0 BDADLO CCC[C@@H](C)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001257308878 984882562 /nfs/dbraw/zinc/88/25/62/984882562.db2.gz KYSYPRVRGJBQIM-OPRDCNLKSA-N 1 2 217.309 1.077 20 0 BDADLO CN(C)C[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001257356142 984922926 /nfs/dbraw/zinc/92/29/26/984922926.db2.gz QBORYNCYWMHQJT-GFCCVEGCSA-N 1 2 212.337 1.191 20 0 BDADLO CN(C)C[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001257356142 984922934 /nfs/dbraw/zinc/92/29/34/984922934.db2.gz QBORYNCYWMHQJT-GFCCVEGCSA-N 1 2 212.337 1.191 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257417091 984973246 /nfs/dbraw/zinc/97/32/46/984973246.db2.gz XAEIQTGEEGYLEL-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1cc(-c2ccc(CO)nc2)c[nH+]c1N ZINC001243468428 985005502 /nfs/dbraw/zinc/00/55/02/985005502.db2.gz MUMRTROVDXHLMF-UHFFFAOYSA-N 1 2 215.256 1.527 20 0 BDADLO CNC(=O)c1ccccc1-c1ccc[nH+]c1N ZINC001243473977 985023483 /nfs/dbraw/zinc/02/34/83/985023483.db2.gz GQLODWSDKROYQC-UHFFFAOYSA-N 1 2 227.267 1.690 20 0 BDADLO COC(=O)Cc1ccncc1-c1ccc[nH+]c1N ZINC001243473747 985024287 /nfs/dbraw/zinc/02/42/87/985024287.db2.gz OSJFPAJHJVYTAE-UHFFFAOYSA-N 1 2 243.266 1.441 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)NC(=O)C2 ZINC001243474069 985024373 /nfs/dbraw/zinc/02/43/73/985024373.db2.gz IWCWQCSOSYEGTR-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO Nc1[nH+]cccc1-c1cncnc1C1CC1 ZINC001243474914 985027163 /nfs/dbraw/zinc/02/71/63/985027163.db2.gz BLDMHBBLJHQRPN-UHFFFAOYSA-N 1 2 212.256 1.998 20 0 BDADLO Cc1nnc2cc(-c3ccc[nH+]c3N)ccn12 ZINC001243475174 985027911 /nfs/dbraw/zinc/02/79/11/985027911.db2.gz FOAONLYHPCPOCG-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO COC(=O)c1cc(-c2ccc[nH+]c2N)cnc1C ZINC001243476140 985031665 /nfs/dbraw/zinc/03/16/65/985031665.db2.gz OZYSOKCNFHARNX-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1nc2[nH]cnc2cc1-c1ccc[nH+]c1N ZINC001243477057 985035207 /nfs/dbraw/zinc/03/52/07/985035207.db2.gz YOSPOFUBVHFOJX-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO COC(=O)c1cnc(C)c(-c2ccc[nH+]c2N)c1 ZINC001243477844 985036264 /nfs/dbraw/zinc/03/62/64/985036264.db2.gz PUXATJPEDAAPLE-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO NC(=O)c1c(F)cc(-c2ccc[nH+]c2N)cc1F ZINC001243477025 985040261 /nfs/dbraw/zinc/04/02/61/985040261.db2.gz HFKCQGPUEGJTHS-UHFFFAOYSA-N 1 2 249.220 1.708 20 0 BDADLO CCc1[nH]c(CNC(=O)C2(C3CC3)CC2)c[nH+]1 ZINC001456142765 985118883 /nfs/dbraw/zinc/11/88/83/985118883.db2.gz HMBAKJFTBOBFRR-UHFFFAOYSA-N 1 2 233.315 1.779 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2(C3CC3)CC2)[nH+]1 ZINC001456142765 985118892 /nfs/dbraw/zinc/11/88/92/985118892.db2.gz HMBAKJFTBOBFRR-UHFFFAOYSA-N 1 2 233.315 1.779 20 0 BDADLO CCCCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001257500824 985125296 /nfs/dbraw/zinc/12/52/96/985125296.db2.gz ZMSKILGFVAZUCB-MNOVXSKESA-N 1 2 231.336 1.469 20 0 BDADLO CC(C)OCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456345052 985132627 /nfs/dbraw/zinc/13/26/27/985132627.db2.gz MWXRXAILDKEKFZ-UHFFFAOYSA-N 1 2 239.319 1.574 20 0 BDADLO CC(C)OCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456345052 985132635 /nfs/dbraw/zinc/13/26/35/985132635.db2.gz MWXRXAILDKEKFZ-UHFFFAOYSA-N 1 2 239.319 1.574 20 0 BDADLO CCCOCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456345708 985133279 /nfs/dbraw/zinc/13/32/79/985133279.db2.gz QXPRHKZIHNXHPB-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO CCCOCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456345708 985133284 /nfs/dbraw/zinc/13/32/84/985133284.db2.gz QXPRHKZIHNXHPB-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO C/C(=C\C=C\N)c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001243641601 985150733 /nfs/dbraw/zinc/15/07/33/985150733.db2.gz YJUWRDLJTXTKJL-MIXCITHUSA-N 1 2 244.338 1.739 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC2OCCO2)s1 ZINC000686615170 985169404 /nfs/dbraw/zinc/16/94/04/985169404.db2.gz KMSVCSAGASKBNK-UHFFFAOYSA-N 1 2 243.332 1.041 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC2OCCO2)s1 ZINC000686615170 985169415 /nfs/dbraw/zinc/16/94/15/985169415.db2.gz KMSVCSAGASKBNK-UHFFFAOYSA-N 1 2 243.332 1.041 20 0 BDADLO c1cnc(NCc2[nH]c3c([nH+]2)CCCC3)nc1 ZINC001458640478 985334950 /nfs/dbraw/zinc/33/49/50/985334950.db2.gz LQZNCDUNEOERMZ-UHFFFAOYSA-N 1 2 229.287 1.691 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@H](C)CCSC ZINC001258199602 985607594 /nfs/dbraw/zinc/60/75/94/985607594.db2.gz IRGDEOSQSDVTLR-MRVPVSSYSA-N 1 2 219.350 1.669 20 0 BDADLO COc1nc(C2=C[NH2+]CCC2)cn2ccnc12 ZINC001243949713 985645148 /nfs/dbraw/zinc/64/51/48/985645148.db2.gz HQENNQLWBVKKET-UHFFFAOYSA-N 1 2 230.271 1.462 20 0 BDADLO Cn1cnc2ncc(C3=C[NH2+]CCC3)nc21 ZINC001243954761 985668290 /nfs/dbraw/zinc/66/82/90/985668290.db2.gz YBOZDDKRYSHUIA-UHFFFAOYSA-N 1 2 215.260 1.088 20 0 BDADLO Cc1cc(-c2cnn(C(C)(C)CO)c2)c[nH+]c1N ZINC001244107300 985817715 /nfs/dbraw/zinc/81/77/15/985817715.db2.gz ZZVQCAMNSHSZAT-UHFFFAOYSA-N 1 2 246.314 1.563 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001460942233 985956893 /nfs/dbraw/zinc/95/68/93/985956893.db2.gz YIOJGALNUDYWMR-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](O)C[N@H+]1CC(F)(F)CC[C@H]1C ZINC001460942233 985956906 /nfs/dbraw/zinc/95/69/06/985956906.db2.gz YIOJGALNUDYWMR-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CSc1cc(Nc2cnc(N)nc2)cc[nH+]1 ZINC001212962570 985971929 /nfs/dbraw/zinc/97/19/29/985971929.db2.gz YVBUNFDTGGAPOQ-UHFFFAOYSA-N 1 2 233.300 1.919 20 0 BDADLO CCc1ccc2c(c1)CC[N@H+]([C@@H]1CCOC1=O)C2 ZINC001460970152 985973978 /nfs/dbraw/zinc/97/39/78/985973978.db2.gz CPSLJHHJXMFXOW-CQSZACIVSA-N 1 2 245.322 1.923 20 0 BDADLO CCc1ccc2c(c1)CC[N@@H+]([C@@H]1CCOC1=O)C2 ZINC001460970152 985973990 /nfs/dbraw/zinc/97/39/90/985973990.db2.gz CPSLJHHJXMFXOW-CQSZACIVSA-N 1 2 245.322 1.923 20 0 BDADLO CCc1cc(C[NH2+]Cc2cc(C)nn2C)on1 ZINC001461238108 986026390 /nfs/dbraw/zinc/02/63/90/986026390.db2.gz YVDAWJFSGGTFOO-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO Cc1ccc(C=O)c(OCc2noc(C[NH3+])n2)c1 ZINC001579678793 986171853 /nfs/dbraw/zinc/17/18/53/986171853.db2.gz JWNDTWHTNIBPLN-UHFFFAOYSA-N 1 2 247.254 1.228 20 0 BDADLO C[C@H]1CCC[C@@H]([NH2+]Cc2nnc(CO)[nH]2)CC1 ZINC001461840322 986191758 /nfs/dbraw/zinc/19/17/58/986191758.db2.gz CLRAHSRGZRSOKW-VHSXEESVSA-N 1 2 238.335 1.355 20 0 BDADLO c1nnc(C[NH2+]Cc2cccc3ncccc23)[nH]1 ZINC001461846336 986206975 /nfs/dbraw/zinc/20/69/75/986206975.db2.gz VMOPFRDFOJRWCN-UHFFFAOYSA-N 1 2 239.282 1.643 20 0 BDADLO CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1cnc(C)cn1 ZINC001037988374 986237142 /nfs/dbraw/zinc/23/71/42/986237142.db2.gz VJHIYUUUCAKDDJ-CMPLNLGQSA-N 1 2 248.330 1.056 20 0 BDADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1cnc(C)cn1 ZINC001037988374 986237159 /nfs/dbraw/zinc/23/71/59/986237159.db2.gz VJHIYUUUCAKDDJ-CMPLNLGQSA-N 1 2 248.330 1.056 20 0 BDADLO Nc1cccc(-c2ccc(O)c(CO)c2)[nH+]1 ZINC001244773109 986334598 /nfs/dbraw/zinc/33/45/98/986334598.db2.gz JEDCNYQPTGCWKE-UHFFFAOYSA-N 1 2 216.240 1.529 20 0 BDADLO C[C@@H](O)C1([NH2+]Cc2nn(C)cc2Cl)CC1 ZINC001462456883 986382646 /nfs/dbraw/zinc/38/26/46/986382646.db2.gz OLYKPFODNNRJRK-SSDOTTSWSA-N 1 2 229.711 1.077 20 0 BDADLO COc1cc(CO)cc(-c2c[nH+]cn2C)c1 ZINC001244839826 986384827 /nfs/dbraw/zinc/38/48/27/986384827.db2.gz VMADYQYTCFGCQI-UHFFFAOYSA-N 1 2 218.256 1.588 20 0 BDADLO COc1cc(CO)cc(-c2ccc(N)[nH+]c2)c1 ZINC001244841404 986385173 /nfs/dbraw/zinc/38/51/73/986385173.db2.gz NQWPZTYPXBVXPK-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO CNc1cc(-c2ccc(CC(N)=O)cc2)cc[nH+]1 ZINC001244970941 986541388 /nfs/dbraw/zinc/54/13/88/986541388.db2.gz CXGUIUSGSOHFAL-UHFFFAOYSA-N 1 2 241.294 1.818 20 0 BDADLO c1ccc([C@@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)nc1 ZINC001254382875 986602738 /nfs/dbraw/zinc/60/27/38/986602738.db2.gz REPLVNYNAFPGTM-OCCSQVGLSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)nc1 ZINC001254382875 986602750 /nfs/dbraw/zinc/60/27/50/986602750.db2.gz REPLVNYNAFPGTM-OCCSQVGLSA-N 1 2 248.326 1.634 20 0 BDADLO Cc1cccc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001464206886 986619830 /nfs/dbraw/zinc/61/98/30/986619830.db2.gz TZBNWMBWRITMMX-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO C[NH+]1CC(NC(=S)Nc2ccccc2)C1 ZINC000379124694 986625797 /nfs/dbraw/zinc/62/57/97/986625797.db2.gz QGRPPCFKSSGLGW-UHFFFAOYSA-N 1 2 221.329 1.287 20 0 BDADLO [NH3+]C[C@@]12C[N@@H+](Cc3cnc[nH]3)C[C@H]1CCCC2 ZINC001580256903 986710634 /nfs/dbraw/zinc/71/06/34/986710634.db2.gz ZOXQHRWNIHMLCE-YPMHNXCESA-N 1 2 234.347 1.361 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(C2=CCCOC2)cc1 ZINC001245162026 986714745 /nfs/dbraw/zinc/71/47/45/986714745.db2.gz QPLZHGXDOHMLCG-CYBMUJFWSA-N 1 2 247.294 1.663 20 0 BDADLO Cc1cccc2nc(C[NH+]3CCC3)cn21 ZINC001137294002 986724603 /nfs/dbraw/zinc/72/46/03/986724603.db2.gz MCJUJPUZEDXYNH-UHFFFAOYSA-N 1 2 201.273 1.848 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC1CC1 ZINC001465515732 986724967 /nfs/dbraw/zinc/72/49/67/986724967.db2.gz RMAYNAONCQMTKK-UHFFFAOYSA-N 1 2 207.277 1.177 20 0 BDADLO [NH3+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001580293058 986739363 /nfs/dbraw/zinc/73/93/63/986739363.db2.gz NAGNHAUEGLAMBG-SSDOTTSWSA-N 1 2 244.232 1.522 20 0 BDADLO [NH3+]CCCCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001580293058 986739366 /nfs/dbraw/zinc/73/93/66/986739366.db2.gz NAGNHAUEGLAMBG-SSDOTTSWSA-N 1 2 244.232 1.522 20 0 BDADLO COCn1cc(-c2ccc[nH+]c2N)cn1 ZINC001245219715 986739267 /nfs/dbraw/zinc/73/92/67/986739267.db2.gz WRSYYLOBJYCALH-UHFFFAOYSA-N 1 2 204.233 1.131 20 0 BDADLO O=C1C[C@H]2CC([NH+]3C[C@@H](F)[C@H](F)C3)C[C@@H]2C1 ZINC001254944674 986751009 /nfs/dbraw/zinc/75/10/09/986751009.db2.gz CTPUMARSKAAWRZ-GAJNKVMBSA-N 1 2 229.270 1.736 20 0 BDADLO CC[C@@](C)(O)C[NH2+][C@@H](C)c1noc(C)n1 ZINC000393610423 986858802 /nfs/dbraw/zinc/85/88/02/986858802.db2.gz VDMNUKKVVIXQLG-OIBJUYFYSA-N 1 2 213.281 1.190 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001255310057 986900288 /nfs/dbraw/zinc/90/02/88/986900288.db2.gz OUFQBXLRANFZBG-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1cc(-c2c(N)nccc2F)c[nH+]c1N ZINC001245535861 986908061 /nfs/dbraw/zinc/90/80/61/986908061.db2.gz COSXCKLPFCJKAD-UHFFFAOYSA-N 1 2 218.235 1.756 20 0 BDADLO Cc1cc(-c2ccn3ncnc3c2)c[nH+]c1N ZINC001245535956 986915407 /nfs/dbraw/zinc/91/54/07/986915407.db2.gz GDVGAOMIRGQQDI-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CC(C)ONC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001468459075 986916877 /nfs/dbraw/zinc/91/68/77/986916877.db2.gz BKOATMUJKKVTSG-UHFFFAOYSA-N 1 2 245.282 1.942 20 0 BDADLO Cc1cc(-c2cccc3n[nH]nc32)c[nH+]c1N ZINC001245537908 986919610 /nfs/dbraw/zinc/91/96/10/986919610.db2.gz HDNBMCVILZJLKZ-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CC(=O)Nc1cccnc1-c1c[nH+]c(N)c(C)c1 ZINC001245538375 986922090 /nfs/dbraw/zinc/92/20/90/986922090.db2.gz DBCGQZIQJYFTMN-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO COC(=O)c1cnccc1-c1c[nH+]c(N)c(C)c1 ZINC001245539083 986928110 /nfs/dbraw/zinc/92/81/10/986928110.db2.gz FQTUKRBRBZDTOA-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO COC[C@H](C)[N@@H+]1CCc2oc(C)nc2C1 ZINC001255577597 987028608 /nfs/dbraw/zinc/02/86/08/987028608.db2.gz IVXSYXJMZAWSMT-QMMMGPOBSA-N 1 2 210.277 1.376 20 0 BDADLO COC[C@H](C)[N@H+]1CCc2oc(C)nc2C1 ZINC001255577597 987028620 /nfs/dbraw/zinc/02/86/20/987028620.db2.gz IVXSYXJMZAWSMT-QMMMGPOBSA-N 1 2 210.277 1.376 20 0 BDADLO O=C1CC(C2CC[NH2+]CC2)=NN1C1CCC1 ZINC001245916866 987153851 /nfs/dbraw/zinc/15/38/51/987153851.db2.gz AXHXOKJXEOATER-UHFFFAOYSA-N 1 2 221.304 1.781 20 0 BDADLO CCc1[nH]c(CNC(=O)CCc2ccoc2)c[nH+]1 ZINC001472019311 987155727 /nfs/dbraw/zinc/15/57/27/987155727.db2.gz YNXAWKIMHXUYIZ-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCc2ccoc2)[nH+]1 ZINC001472019311 987155742 /nfs/dbraw/zinc/15/57/42/987155742.db2.gz YNXAWKIMHXUYIZ-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CC23CCC3)c[nH+]1 ZINC001472018764 987156502 /nfs/dbraw/zinc/15/65/02/987156502.db2.gz LBZCFTFYUIUZQH-JTQLQIEISA-N 1 2 233.315 1.779 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CC23CCC3)[nH+]1 ZINC001472018764 987156505 /nfs/dbraw/zinc/15/65/05/987156505.db2.gz LBZCFTFYUIUZQH-JTQLQIEISA-N 1 2 233.315 1.779 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H](C)n2cccn2)c[nH+]1 ZINC001472019301 987158264 /nfs/dbraw/zinc/15/82/64/987158264.db2.gz YESHUIGASYJXNI-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H](C)n2cccn2)[nH+]1 ZINC001472019301 987158276 /nfs/dbraw/zinc/15/82/76/987158276.db2.gz YESHUIGASYJXNI-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@H](C)SC)c[nH+]1 ZINC001472019070 987160460 /nfs/dbraw/zinc/16/04/60/987160460.db2.gz SGFOPPCJDOUMNC-QMMMGPOBSA-N 1 2 241.360 1.730 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@H](C)SC)[nH+]1 ZINC001472019070 987160469 /nfs/dbraw/zinc/16/04/69/987160469.db2.gz SGFOPPCJDOUMNC-QMMMGPOBSA-N 1 2 241.360 1.730 20 0 BDADLO [NH3+]Cc1cc(=O)n(-c2c(F)cccc2F)[nH]1 ZINC001245924978 987171728 /nfs/dbraw/zinc/17/17/28/987171728.db2.gz RWPYJORVSDZMJE-UHFFFAOYSA-N 1 2 225.198 1.315 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2cccc(F)c2)[nH]1 ZINC001245925161 987172334 /nfs/dbraw/zinc/17/23/34/987172334.db2.gz USMRYAONKWJVRZ-UHFFFAOYSA-N 1 2 221.235 1.235 20 0 BDADLO C[NH+](C)CCN1N=C(c2ccc(O)cc2)CC1=O ZINC001245942491 987221243 /nfs/dbraw/zinc/22/12/43/987221243.db2.gz XSXPGEJFVOUAGG-UHFFFAOYSA-N 1 2 247.298 1.523 20 0 BDADLO C[NH+](C)CCn1[nH]c(-c2ccc(O)cc2)cc1=O ZINC001245942491 987221249 /nfs/dbraw/zinc/22/12/49/987221249.db2.gz XSXPGEJFVOUAGG-UHFFFAOYSA-N 1 2 247.298 1.523 20 0 BDADLO CCc1cn(C/C=C(\C)C(=O)OC)c[nH+]1 ZINC001473086908 987328678 /nfs/dbraw/zinc/32/86/78/987328678.db2.gz CXMBPMNAIKGVFI-WEVVVXLNSA-N 1 2 208.261 1.565 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cncnc1 ZINC001137672641 987383208 /nfs/dbraw/zinc/38/32/08/987383208.db2.gz QNXJBWHUXIRNTN-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cncnc1 ZINC001137672641 987383212 /nfs/dbraw/zinc/38/32/12/987383212.db2.gz QNXJBWHUXIRNTN-NSHDSACASA-N 1 2 205.261 1.030 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCC2(O)CCC2)no1 ZINC001473362934 987406248 /nfs/dbraw/zinc/40/62/48/987406248.db2.gz WFGKUEDQSQHPOS-QMMMGPOBSA-N 1 2 225.292 1.334 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)n1cc[nH+]c1 ZINC001115900433 987411314 /nfs/dbraw/zinc/41/13/14/987411314.db2.gz DLMRSPUWEPSPRX-AXFHLTTASA-N 1 2 237.303 1.080 20 0 BDADLO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCC(C)=O ZINC001116119979 987448708 /nfs/dbraw/zinc/44/87/08/987448708.db2.gz QYJPNJXACSJYLV-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO CCC[N@H+]1CCCC[C@@H]1C(=O)OCC(C)=O ZINC001116119979 987448733 /nfs/dbraw/zinc/44/87/33/987448733.db2.gz QYJPNJXACSJYLV-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC1=NOCC1 ZINC001473500324 987457580 /nfs/dbraw/zinc/45/75/80/987457580.db2.gz WCUZAVLNIDRGRN-UHFFFAOYSA-N 1 2 208.261 1.796 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC1=NOCC1 ZINC001473500324 987457583 /nfs/dbraw/zinc/45/75/83/987457583.db2.gz WCUZAVLNIDRGRN-UHFFFAOYSA-N 1 2 208.261 1.796 20 0 BDADLO C[C@H](C(=O)NC1CC(C)C1)n1cc[nH+]c1 ZINC001116222093 987486580 /nfs/dbraw/zinc/48/65/80/987486580.db2.gz VDGGITOYWFAZQN-HWOCKDDLSA-N 1 2 207.277 1.359 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001116234350 987491121 /nfs/dbraw/zinc/49/11/21/987491121.db2.gz BUBFLAIZMHZEPM-NXEZZACHSA-N 1 2 207.277 1.313 20 0 BDADLO Cc1cccnc1[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC001473879492 987602065 /nfs/dbraw/zinc/60/20/65/987602065.db2.gz JFMNYFOMFDXOOV-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1ccc(C2(N[C@@H]3CCC[NH2+]C3)COC2)cc1 ZINC001246219652 987616987 /nfs/dbraw/zinc/61/69/87/987616987.db2.gz HBLSSJHBRSDCLW-CQSZACIVSA-N 1 2 246.354 1.562 20 0 BDADLO c1cc(C[NH2+]Cc2cc3cnccc3o2)n[nH]1 ZINC001473923014 987620896 /nfs/dbraw/zinc/62/08/96/987620896.db2.gz SNPUTBPJNIEEGQ-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO CC(C)CNc1cccc(CN2CCOCC2)[nH+]1 ZINC001474096794 987642360 /nfs/dbraw/zinc/64/23/60/987642360.db2.gz CVBAPABNUSKPOJ-UHFFFAOYSA-N 1 2 249.358 1.982 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cncn2CC)n1 ZINC001474180513 987656533 /nfs/dbraw/zinc/65/65/33/987656533.db2.gz IZACUWZPKJKXDZ-UHFFFAOYSA-N 1 2 233.319 1.409 20 0 BDADLO c1cnc(C[NH2+]Cc2ccc3c(n2)CCC3)cn1 ZINC001474298731 987682166 /nfs/dbraw/zinc/68/21/66/987682166.db2.gz XLTLVWJSLIESST-UHFFFAOYSA-N 1 2 240.310 1.650 20 0 BDADLO COCc1cc(C[N@@H+]2CCC[C@@H](OC)C2)no1 ZINC001474367781 987701115 /nfs/dbraw/zinc/70/11/15/987701115.db2.gz ORJZICLNKYDMEL-LLVKDONJSA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCC[C@@H](OC)C2)no1 ZINC001474367781 987701120 /nfs/dbraw/zinc/70/11/20/987701120.db2.gz ORJZICLNKYDMEL-LLVKDONJSA-N 1 2 240.303 1.432 20 0 BDADLO C[C@H](C(=O)N[C@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC001116831013 987724310 /nfs/dbraw/zinc/72/43/10/987724310.db2.gz GUEJXHYTFCCMAU-ZNSHCXBVSA-N 1 2 219.288 1.359 20 0 BDADLO O=c1oc2ccc(C[NH2+]Cc3ncc[nH]3)cc2o1 ZINC001474653722 987792602 /nfs/dbraw/zinc/79/26/02/987792602.db2.gz FCQJQUVXYUGRKY-UHFFFAOYSA-N 1 2 245.238 1.399 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2ccccc2)o1 ZINC001117229325 987806348 /nfs/dbraw/zinc/80/63/48/987806348.db2.gz SPCNNOCYMZCOLC-UHFFFAOYSA-N 1 2 217.272 1.722 20 0 BDADLO C[C@@H](CNC(=O)NCc1ccc[nH+]c1N)C1CC1 ZINC001477595080 987859725 /nfs/dbraw/zinc/85/97/25/987859725.db2.gz BTNPQKLXWDBSNY-VIFPVBQESA-N 1 2 248.330 1.509 20 0 BDADLO CC[C@@](C)(CNC(=O)[C@H](C)n1cc[nH+]c1)OC ZINC001117796327 987919115 /nfs/dbraw/zinc/91/91/15/987919115.db2.gz HHCPJHMSVJMNKH-JQWIXIFHSA-N 1 2 239.319 1.375 20 0 BDADLO CC(C)c1nc(NC(=O)[C@H](C)[NH2+]C2CC2)n[nH]1 ZINC001118200288 988098511 /nfs/dbraw/zinc/09/85/11/988098511.db2.gz HTYUICXKXNOWQJ-ZETCQYMHSA-N 1 2 237.307 1.007 20 0 BDADLO C[C@H](C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)n1cc[nH+]c1 ZINC001322143809 988140984 /nfs/dbraw/zinc/14/09/84/988140984.db2.gz GAQNMSJKVSLCHT-MXWKQRLJSA-N 1 2 233.315 1.559 20 0 BDADLO Cn1cc(/C=C/c2nnc(C[NH+](C)C)o2)cn1 ZINC001322339110 988212822 /nfs/dbraw/zinc/21/28/22/988212822.db2.gz ICXSOQVLTGQWHZ-SNAWJCMRSA-N 1 2 233.275 1.035 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC1 ZINC001118311856 988216644 /nfs/dbraw/zinc/21/66/44/988216644.db2.gz MLKDDRBPSCEESO-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC1 ZINC001118311856 988216653 /nfs/dbraw/zinc/21/66/53/988216653.db2.gz MLKDDRBPSCEESO-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO CC1(C)C[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CO1 ZINC001246603458 988218270 /nfs/dbraw/zinc/21/82/70/988218270.db2.gz YTVWKDKWIWSMGA-IUCAKERBSA-N 1 2 234.290 1.222 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001118334447 988236926 /nfs/dbraw/zinc/23/69/26/988236926.db2.gz XWQUKOGEDIXVDZ-DTORHVGOSA-N 1 2 241.241 1.066 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001118334447 988236940 /nfs/dbraw/zinc/23/69/40/988236940.db2.gz XWQUKOGEDIXVDZ-DTORHVGOSA-N 1 2 241.241 1.066 20 0 BDADLO Cc1coc(C(=O)NCCc2c[nH+]cn2C)c1C ZINC001322459623 988283897 /nfs/dbraw/zinc/28/38/97/988283897.db2.gz SCHVPHFSOINHJE-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO O=c1sccn1C[N@H+]1CCC[C@@H](CCF)C1 ZINC001118529716 988413363 /nfs/dbraw/zinc/41/33/63/988413363.db2.gz FIEZNVVZACJPPX-JTQLQIEISA-N 1 2 244.335 1.939 20 0 BDADLO O=c1sccn1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC001118529716 988413370 /nfs/dbraw/zinc/41/33/70/988413370.db2.gz FIEZNVVZACJPPX-JTQLQIEISA-N 1 2 244.335 1.939 20 0 BDADLO O=C(CCCF)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001323287404 988486899 /nfs/dbraw/zinc/48/68/99/988486899.db2.gz PVMDKPPOKYNZDI-ODTOEKCJSA-N 1 2 248.729 1.679 20 0 BDADLO O=C(CCCF)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001323287404 988486905 /nfs/dbraw/zinc/48/69/05/988486905.db2.gz PVMDKPPOKYNZDI-ODTOEKCJSA-N 1 2 248.729 1.679 20 0 BDADLO CON(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001118674482 988495226 /nfs/dbraw/zinc/49/52/26/988495226.db2.gz KJMQWIAINXCCDE-SECBINFHSA-N 1 2 225.292 1.387 20 0 BDADLO CON(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001118674482 988495233 /nfs/dbraw/zinc/49/52/33/988495233.db2.gz KJMQWIAINXCCDE-SECBINFHSA-N 1 2 225.292 1.387 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001323339589 988502526 /nfs/dbraw/zinc/50/25/26/988502526.db2.gz HXXLGDLLCBJTNJ-WDEREUQCSA-N 1 2 244.354 1.971 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001323339589 988502553 /nfs/dbraw/zinc/50/25/53/988502553.db2.gz HXXLGDLLCBJTNJ-WDEREUQCSA-N 1 2 244.354 1.971 20 0 BDADLO C[NH+](C)CCONC(=O)CSC(C)(C)C ZINC001118764201 988558653 /nfs/dbraw/zinc/55/86/53/988558653.db2.gz OVDOPWXXTHSXHJ-UHFFFAOYSA-N 1 2 234.365 1.128 20 0 BDADLO CC/C=C(/C)C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001323897179 988646904 /nfs/dbraw/zinc/64/69/04/988646904.db2.gz YVIJABWVOGFKDG-WDZFZDKYSA-N 1 2 240.347 1.132 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC(C(C)(C)C)C1 ZINC001548717287 988652586 /nfs/dbraw/zinc/65/25/86/988652586.db2.gz MOCDXSUCCUXSJQ-UHFFFAOYSA-N 1 2 249.358 1.857 20 0 BDADLO CN(CC[C@H]1CCCO1)c1cc(N)nc[nH+]1 ZINC001548514783 988678523 /nfs/dbraw/zinc/67/85/23/988678523.db2.gz QMZQWZLNGTXPSC-SECBINFHSA-N 1 2 222.292 1.064 20 0 BDADLO Cc1conc1CSCC[NH+]1CCOCC1 ZINC001118999135 988783844 /nfs/dbraw/zinc/78/38/44/988783844.db2.gz ONWCIAPKDUGWRO-UHFFFAOYSA-N 1 2 242.344 1.548 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccnc2N(C)C)CCO1 ZINC001324341992 988808690 /nfs/dbraw/zinc/80/86/90/988808690.db2.gz FFLJOMVCYRRPNZ-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccnc2N(C)C)CCO1 ZINC001324341992 988808697 /nfs/dbraw/zinc/80/86/97/988808697.db2.gz FFLJOMVCYRRPNZ-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)CC1CC1 ZINC001515337342 989030259 /nfs/dbraw/zinc/03/02/59/989030259.db2.gz XFASTCFSLXRPCX-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO COC(=O)NC1C[NH+](Cc2ccc(C)cc2)C1 ZINC001325014795 989059054 /nfs/dbraw/zinc/05/90/54/989059054.db2.gz YUKOLDIJJRXKPN-UHFFFAOYSA-N 1 2 234.299 1.535 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)(C)O ZINC001325063551 989071989 /nfs/dbraw/zinc/07/19/89/989071989.db2.gz LZIJGXGIHJWTMU-UWVGGRQHSA-N 1 2 239.319 1.110 20 0 BDADLO Cc1[nH]c(CNC(=O)C[C@H]2C=CCC2)[nH+]c1C ZINC001119455620 989087317 /nfs/dbraw/zinc/08/73/17/989087317.db2.gz BPRKGGQNHHDAJM-NSHDSACASA-N 1 2 233.315 1.999 20 0 BDADLO COC/C=C/C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001515893946 989127026 /nfs/dbraw/zinc/12/70/26/989127026.db2.gz FWEOWPUKYZUUGN-SNAWJCMRSA-N 1 2 238.287 1.364 20 0 BDADLO CC(C)(COC(=O)[C@@H]1C[C@@H]1F)n1cc[nH+]c1 ZINC001515914209 989127635 /nfs/dbraw/zinc/12/76/35/989127635.db2.gz LIPPBVRPXCXOIG-BDAKNGLRSA-N 1 2 226.251 1.519 20 0 BDADLO CCc1ccc(N2CC[C@H](O)[C@@H](F)C2)[nH+]c1 ZINC001516050465 989138474 /nfs/dbraw/zinc/13/84/74/989138474.db2.gz FDNFPAVPDZKSPA-QWRGUYRKSA-N 1 2 224.279 1.553 20 0 BDADLO Cn1c(=O)cccc1C[N@H+](C)Cc1ccno1 ZINC001248809212 989164357 /nfs/dbraw/zinc/16/43/57/989164357.db2.gz NSIGDHGLHDWQRO-UHFFFAOYSA-N 1 2 233.271 1.005 20 0 BDADLO Cn1c(=O)cccc1C[N@@H+](C)Cc1ccno1 ZINC001248809212 989164364 /nfs/dbraw/zinc/16/43/64/989164364.db2.gz NSIGDHGLHDWQRO-UHFFFAOYSA-N 1 2 233.271 1.005 20 0 BDADLO c1cc2n(c1C[N@@H+]1CCOCC13CC3)CCC2 ZINC001248824488 989173348 /nfs/dbraw/zinc/17/33/48/989173348.db2.gz PBFQNPNTTSWUIR-UHFFFAOYSA-N 1 2 232.327 1.799 20 0 BDADLO c1cc2n(c1C[N@H+]1CCOCC13CC3)CCC2 ZINC001248824488 989173358 /nfs/dbraw/zinc/17/33/58/989173358.db2.gz PBFQNPNTTSWUIR-UHFFFAOYSA-N 1 2 232.327 1.799 20 0 BDADLO c1cc2n(c1C[N@H+](C1CC1)C1COC1)CCC2 ZINC001248824701 989182124 /nfs/dbraw/zinc/18/21/24/989182124.db2.gz YAQYCRBIEMJZPI-UHFFFAOYSA-N 1 2 232.327 1.798 20 0 BDADLO c1cc2n(c1C[N@@H+](C1CC1)C1COC1)CCC2 ZINC001248824701 989182137 /nfs/dbraw/zinc/18/21/37/989182137.db2.gz YAQYCRBIEMJZPI-UHFFFAOYSA-N 1 2 232.327 1.798 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2ccc3n2CCC3)C1 ZINC001248823621 989185740 /nfs/dbraw/zinc/18/57/40/989185740.db2.gz FTQOSEVURMIKLL-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248977266 989237645 /nfs/dbraw/zinc/23/76/45/989237645.db2.gz AMPFLDXWPXENPR-LBPRGKRZSA-N 1 2 233.315 1.504 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248977266 989237653 /nfs/dbraw/zinc/23/76/53/989237653.db2.gz AMPFLDXWPXENPR-LBPRGKRZSA-N 1 2 233.315 1.504 20 0 BDADLO C[N@H+](CC(=O)OCC1COC1)Cc1ccccc1 ZINC001518018101 989271730 /nfs/dbraw/zinc/27/17/30/989271730.db2.gz OLHUOKWHHNTHDG-UHFFFAOYSA-N 1 2 249.310 1.308 20 0 BDADLO C[N@@H+](CC(=O)OCC1COC1)Cc1ccccc1 ZINC001518018101 989271745 /nfs/dbraw/zinc/27/17/45/989271745.db2.gz OLHUOKWHHNTHDG-UHFFFAOYSA-N 1 2 249.310 1.308 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@H]1CCOC1 ZINC001518046965 989273103 /nfs/dbraw/zinc/27/31/03/989273103.db2.gz BGPYHTWRLJHYLQ-SNVBAGLBSA-N 1 2 238.287 1.373 20 0 BDADLO CC(C)(C)c1c[nH]c(C[N@@H+]2CCNC(=O)CC2)c1 ZINC001249476419 989289830 /nfs/dbraw/zinc/28/98/30/989289830.db2.gz RDXKTWXASCNWMX-UHFFFAOYSA-N 1 2 249.358 1.634 20 0 BDADLO CC(C)(C)c1c[nH]c(C[N@H+]2CCNC(=O)CC2)c1 ZINC001249476419 989289844 /nfs/dbraw/zinc/28/98/44/989289844.db2.gz RDXKTWXASCNWMX-UHFFFAOYSA-N 1 2 249.358 1.634 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001326009326 989326012 /nfs/dbraw/zinc/32/60/12/989326012.db2.gz CSMIXIDOXGIPPM-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(F)nc1 ZINC001119733125 989374250 /nfs/dbraw/zinc/37/42/50/989374250.db2.gz XVKLVBKVGKISHN-BDAKNGLRSA-N 1 2 249.293 1.761 20 0 BDADLO Cn1ccc(CSCCn2cc[nH+]c2)n1 ZINC001326137326 989390816 /nfs/dbraw/zinc/39/08/16/989390816.db2.gz IJRUWPFRHMZSLS-UHFFFAOYSA-N 1 2 222.317 1.550 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC001119838846 989435392 /nfs/dbraw/zinc/43/53/92/989435392.db2.gz VFEGIVQHYPREFE-YLBKJFSISA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C\C[N@H+]1CC[S@@](=O)CC1(C)C ZINC001119838846 989435401 /nfs/dbraw/zinc/43/54/01/989435401.db2.gz VFEGIVQHYPREFE-YLBKJFSISA-N 1 2 245.388 1.422 20 0 BDADLO CCc1cc(N2CC(O)(CC)C2)nc(CC)[nH+]1 ZINC001119952568 989501309 /nfs/dbraw/zinc/50/13/09/989501309.db2.gz ADRYNCZWJDNLLF-UHFFFAOYSA-N 1 2 235.331 1.563 20 0 BDADLO CC(C)N(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001326384422 989539393 /nfs/dbraw/zinc/53/93/93/989539393.db2.gz RANKCYIEQLKILN-SNVBAGLBSA-N 1 2 221.304 1.844 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cncnc1 ZINC001520443088 989563535 /nfs/dbraw/zinc/56/35/35/989563535.db2.gz VFXPLBHAUMVDRA-UHFFFAOYSA-N 1 2 232.243 1.050 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n[nH]2)[C@@H](C)CO1 ZINC001326476264 989574092 /nfs/dbraw/zinc/57/40/92/989574092.db2.gz SWKOOWLNLBWSEZ-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n[nH]2)[C@@H](C)CO1 ZINC001326476264 989574081 /nfs/dbraw/zinc/57/40/81/989574081.db2.gz SWKOOWLNLBWSEZ-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCCc1[nH+]ccn1C ZINC001520626991 989583169 /nfs/dbraw/zinc/58/31/69/989583169.db2.gz VKBQBFLTSDYSDW-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO CCn1cccc1C(=O)NCCCn1cc[nH+]c1 ZINC001520728993 989594040 /nfs/dbraw/zinc/59/40/40/989594040.db2.gz BMZOQDQJLKIPEA-UHFFFAOYSA-N 1 2 246.314 1.525 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001120086173 989594100 /nfs/dbraw/zinc/59/41/00/989594100.db2.gz SDMFBDOEPYQWSZ-OUAUKWLOSA-N 1 2 237.303 1.080 20 0 BDADLO CC(C)CNC(=O)CCc1[nH+]ccn1C ZINC001520729091 989595398 /nfs/dbraw/zinc/59/53/98/989595398.db2.gz FAAJSOFOUHLWIA-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO CCC(CC)NC(=O)CCc1[nH+]ccn1C ZINC001520728961 989596370 /nfs/dbraw/zinc/59/63/70/989596370.db2.gz AOXUWDDDSBQWTL-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CCC(C)C ZINC001326610659 989626585 /nfs/dbraw/zinc/62/65/85/989626585.db2.gz FIHSCWDPKBJNND-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CCC(C)C ZINC001326610659 989626593 /nfs/dbraw/zinc/62/65/93/989626593.db2.gz FIHSCWDPKBJNND-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC1 ZINC001326631894 989637629 /nfs/dbraw/zinc/63/76/29/989637629.db2.gz GIQZECXSBFQGIT-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC1 ZINC001326631894 989637634 /nfs/dbraw/zinc/63/76/34/989637634.db2.gz GIQZECXSBFQGIT-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1csc(C(=O)NCc2ccc(N)[nH+]c2)n1 ZINC001326708372 989659206 /nfs/dbraw/zinc/65/92/06/989659206.db2.gz FJOHYWCGQNFXNW-UHFFFAOYSA-N 1 2 248.311 1.359 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CC(F)(F)C1 ZINC001326855206 989751361 /nfs/dbraw/zinc/75/13/61/989751361.db2.gz WICMMHNMVKIGCO-UHFFFAOYSA-N 1 2 243.257 1.267 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001522034040 989826000 /nfs/dbraw/zinc/82/60/00/989826000.db2.gz IMWCZSSTFLMJQL-FZMZJTMJSA-N 1 2 247.342 1.659 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)CC2CC2)co1 ZINC001522327346 989845836 /nfs/dbraw/zinc/84/58/36/989845836.db2.gz MSNDSPGFLVQCCD-UHFFFAOYSA-N 1 2 237.303 1.153 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)CCCF)co1 ZINC001522327146 989846055 /nfs/dbraw/zinc/84/60/55/989846055.db2.gz LYAKHWYIQOWVSV-UHFFFAOYSA-N 1 2 243.282 1.102 20 0 BDADLO CCCN(CCO)c1cc(F)cc(C)[nH+]1 ZINC001120816940 989900465 /nfs/dbraw/zinc/90/04/65/989900465.db2.gz FDYQVVYMLWXPPU-UHFFFAOYSA-N 1 2 212.268 1.738 20 0 BDADLO CC(C)(C)[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC001120849467 989920592 /nfs/dbraw/zinc/92/05/92/989920592.db2.gz IDICZIYAVORHJY-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO CN(Cc1ccn(C)n1)c1cc[nH+]cc1F ZINC001120868468 989935163 /nfs/dbraw/zinc/93/51/63/989935163.db2.gz HTVACGCKPMCDJA-UHFFFAOYSA-N 1 2 220.251 1.591 20 0 BDADLO CCc1ccc(N2CC[C@H](O)[C@H](C)C2)[nH+]c1 ZINC001120920742 989967094 /nfs/dbraw/zinc/96/70/94/989967094.db2.gz LYMRHEZNALDDRJ-PWSUYJOCSA-N 1 2 220.316 1.851 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](C)[C@H](CO)C2)[nH+]1 ZINC001120949175 989982614 /nfs/dbraw/zinc/98/26/14/989982614.db2.gz MTDGOMUDGNTKOS-ONGXEEELSA-N 1 2 238.306 1.984 20 0 BDADLO C[C@@H](C(=O)OCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC001524832393 990018965 /nfs/dbraw/zinc/01/89/65/990018965.db2.gz WEBBCCPJMJALQF-KOLCDFICSA-N 1 2 238.287 1.278 20 0 BDADLO CCCNc1cc(N[C@H]2CO[C@H](C)C2)nc[nH+]1 ZINC000401372149 990089555 /nfs/dbraw/zinc/08/95/55/990089555.db2.gz GIEBUSIELHVTFB-NXEZZACHSA-N 1 2 236.319 1.888 20 0 BDADLO CCCNc1cc(N[C@H]2CO[C@H](C)C2)[nH+]cn1 ZINC000401372149 990089561 /nfs/dbraw/zinc/08/95/61/990089561.db2.gz GIEBUSIELHVTFB-NXEZZACHSA-N 1 2 236.319 1.888 20 0 BDADLO CCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001122344051 990349840 /nfs/dbraw/zinc/34/98/40/990349840.db2.gz XCKRRWFGHKEZIF-UHFFFAOYSA-N 1 2 237.303 1.168 20 0 BDADLO COc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)o1 ZINC001537609872 990508179 /nfs/dbraw/zinc/50/81/79/990508179.db2.gz QTCIUVHCVWRZKW-UHFFFAOYSA-N 1 2 246.266 1.974 20 0 BDADLO CC(C)(C(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC001123467663 990586101 /nfs/dbraw/zinc/58/61/01/990586101.db2.gz HJNDVIIRQBLGRA-UHFFFAOYSA-N 1 2 249.236 1.588 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C)CCCC1 ZINC001123511389 990601530 /nfs/dbraw/zinc/60/15/30/990601530.db2.gz BFVQTRNHOJLYPG-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001540359563 990608462 /nfs/dbraw/zinc/60/84/62/990608462.db2.gz BEXFEGUPFFWQOJ-UHFFFAOYSA-N 1 2 215.256 1.615 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCCC1(C)C ZINC001123553066 990609865 /nfs/dbraw/zinc/60/98/65/990609865.db2.gz CAPKBLJNQWMSBX-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@H]2F)[nH+]c1C ZINC001123657242 990639555 /nfs/dbraw/zinc/63/95/55/990639555.db2.gz HUMJOHITOLFAHC-JGVFFNPUSA-N 1 2 211.240 1.001 20 0 BDADLO CNc1cc(CNC(=O)N[C@@H]2CC23CC3)cc[nH+]1 ZINC001123796561 990670909 /nfs/dbraw/zinc/67/09/09/990670909.db2.gz YFYDBDPRLOKFGU-SNVBAGLBSA-N 1 2 246.314 1.475 20 0 BDADLO CCC1(NC(=O)NCc2cc[nH+]c(NC)c2)CC1 ZINC001123796553 990670959 /nfs/dbraw/zinc/67/09/59/990670959.db2.gz YBYSNDFYWXSOGL-UHFFFAOYSA-N 1 2 248.330 1.865 20 0 BDADLO CC(C)C(C)(C)NC(=O)CCc1[nH+]ccn1C ZINC001123835975 990680568 /nfs/dbraw/zinc/68/05/68/990680568.db2.gz CLXWBOMWSBLIRX-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001123878226 990692057 /nfs/dbraw/zinc/69/20/57/990692057.db2.gz NWJBXCBULQVSSZ-ZJUUUORDSA-N 1 2 221.304 1.267 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1CC=CC1 ZINC001123931816 990708625 /nfs/dbraw/zinc/70/86/25/990708625.db2.gz VBZWBHRPNDMCHL-UHFFFAOYSA-N 1 2 233.315 1.435 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1COC ZINC001544261255 990718253 /nfs/dbraw/zinc/71/82/53/990718253.db2.gz PKULCLVIJNCQPX-CYBMUJFWSA-N 1 2 248.326 1.866 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccccc1COC ZINC001544261255 990718255 /nfs/dbraw/zinc/71/82/55/990718255.db2.gz PKULCLVIJNCQPX-CYBMUJFWSA-N 1 2 248.326 1.866 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1O ZINC001544981832 990741955 /nfs/dbraw/zinc/74/19/55/990741955.db2.gz BNWXJVYCXORYQO-SNVBAGLBSA-N 1 2 220.272 1.425 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccccc1O ZINC001544981832 990741960 /nfs/dbraw/zinc/74/19/60/990741960.db2.gz BNWXJVYCXORYQO-SNVBAGLBSA-N 1 2 220.272 1.425 20 0 BDADLO CN(C(=O)CCc1[nH+]ccn1C)C1CCCC1 ZINC001548620697 990775446 /nfs/dbraw/zinc/77/54/46/990775446.db2.gz WHGOUBLPFPKZKH-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1F ZINC001137591268 990824734 /nfs/dbraw/zinc/82/47/34/990824734.db2.gz GGGULDAJCNWWPQ-VHSXEESVSA-N 1 2 230.308 1.438 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1F ZINC001137591268 990824739 /nfs/dbraw/zinc/82/47/39/990824739.db2.gz GGGULDAJCNWWPQ-VHSXEESVSA-N 1 2 230.308 1.438 20 0 BDADLO CCO/C=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001556482168 990830838 /nfs/dbraw/zinc/83/08/38/990830838.db2.gz SHCGCVNDNRXZLA-XBXARRHUSA-N 1 2 231.255 1.823 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCOC1(C)C)n1cc[nH+]c1 ZINC001556663391 990842052 /nfs/dbraw/zinc/84/20/52/990842052.db2.gz IZDOYLAJAADOMA-VHSXEESVSA-N 1 2 237.303 1.128 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C(F)(F)F)CC1 ZINC001556657220 990842575 /nfs/dbraw/zinc/84/25/75/990842575.db2.gz CHSVBUYUOXCIMI-UHFFFAOYSA-N 1 2 247.220 1.174 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1F ZINC001556699532 990843589 /nfs/dbraw/zinc/84/35/89/990843589.db2.gz VAYSZJJRAXXLEU-VIFPVBQESA-N 1 2 245.257 1.377 20 0 BDADLO Nc1ncc(C[NH+]2CC3(C2)CC(F)(F)C3)cn1 ZINC001138160284 990892326 /nfs/dbraw/zinc/89/23/26/990892326.db2.gz UJUYMUMYIVUABR-UHFFFAOYSA-N 1 2 240.257 1.290 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccsn1 ZINC001558074749 990920486 /nfs/dbraw/zinc/92/04/86/990920486.db2.gz HQNJQQQVKHGOGC-UHFFFAOYSA-N 1 2 208.246 1.047 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCc2ncncc2C1 ZINC001138394092 990931913 /nfs/dbraw/zinc/93/19/13/990931913.db2.gz GAXALSXGDDEGFY-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO Oc1cccnc1C[N@H+]1CCc2ncncc2C1 ZINC001138394092 990931923 /nfs/dbraw/zinc/93/19/23/990931923.db2.gz GAXALSXGDDEGFY-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnc2[nH]ccc2c1 ZINC001558286818 990934201 /nfs/dbraw/zinc/93/42/01/990934201.db2.gz OUDKKGWAYFJXLI-UHFFFAOYSA-N 1 2 241.254 1.350 20 0 BDADLO C[N@H+](Cc1ccncn1)Cc1ncccc1O ZINC001138397171 990934475 /nfs/dbraw/zinc/93/44/75/990934475.db2.gz WFRZGMFVUZJLJN-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1ccncn1)Cc1ncccc1O ZINC001138397171 990934486 /nfs/dbraw/zinc/93/44/86/990934486.db2.gz WFRZGMFVUZJLJN-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C=C/C=C\CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001138457254 990952597 /nfs/dbraw/zinc/95/25/97/990952597.db2.gz BUDBRTPLWMEDEO-DLRQAJBASA-N 1 2 231.299 1.446 20 0 BDADLO CCCn1ncc(C[N@@H+]2CCOC[C@@H]2C)c1C ZINC001138636544 990990690 /nfs/dbraw/zinc/99/06/90/990990690.db2.gz GRUGHFWVRNGQGQ-NSHDSACASA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1ncc(C[N@H+]2CCOC[C@@H]2C)c1C ZINC001138636544 990990703 /nfs/dbraw/zinc/99/07/03/990990703.db2.gz GRUGHFWVRNGQGQ-NSHDSACASA-N 1 2 237.347 1.822 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc2occc(=O)c2c1 ZINC001558849530 990995089 /nfs/dbraw/zinc/99/50/89/990995089.db2.gz APSDONDMZKUESG-UHFFFAOYSA-N 1 2 246.266 1.293 20 0 BDADLO CSc1ncc(C[N@@H+]2CC[C@@H]2C)cn1 ZINC001138701893 991010917 /nfs/dbraw/zinc/01/09/17/991010917.db2.gz RXHDQCKQUNMGPM-QMMMGPOBSA-N 1 2 209.318 1.793 20 0 BDADLO CSc1ncc(C[N@H+]2CC[C@@H]2C)cn1 ZINC001138701893 991010927 /nfs/dbraw/zinc/01/09/27/991010927.db2.gz RXHDQCKQUNMGPM-QMMMGPOBSA-N 1 2 209.318 1.793 20 0 BDADLO CSc1ncc(C[N@@H+]2CC[C@H]2C)cn1 ZINC001138701892 991013154 /nfs/dbraw/zinc/01/31/54/991013154.db2.gz RXHDQCKQUNMGPM-MRVPVSSYSA-N 1 2 209.318 1.793 20 0 BDADLO CSc1ncc(C[N@H+]2CC[C@H]2C)cn1 ZINC001138701892 991013159 /nfs/dbraw/zinc/01/31/59/991013159.db2.gz RXHDQCKQUNMGPM-MRVPVSSYSA-N 1 2 209.318 1.793 20 0 BDADLO Cn1cnc2cc(C[NH2+]Cc3c[nH]cn3)ccc21 ZINC001308524281 991019487 /nfs/dbraw/zinc/01/94/87/991019487.db2.gz VCRPYEFSBJTIBD-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nnnn2C)c(C)o1 ZINC001308545121 991026034 /nfs/dbraw/zinc/02/60/34/991026034.db2.gz ZVCXLIYQUSPGGO-MRVPVSSYSA-N 1 2 235.291 1.271 20 0 BDADLO CCOC(=O)CCC[C@@H](C)[N@@H+]1CCCC(=O)C1 ZINC001258125051 991028961 /nfs/dbraw/zinc/02/89/61/991028961.db2.gz LQMUXTLTSZPAHJ-LLVKDONJSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)CCC[C@@H](C)[N@H+]1CCCC(=O)C1 ZINC001258125051 991028971 /nfs/dbraw/zinc/02/89/71/991028971.db2.gz LQMUXTLTSZPAHJ-LLVKDONJSA-N 1 2 241.331 1.773 20 0 BDADLO CCN(Cc1cnc2[nH]ccc2c1)C1C[NH+](C)C1 ZINC001138739906 991031407 /nfs/dbraw/zinc/03/14/07/991031407.db2.gz IQEXNGZDFSEMFA-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001258151682 991032904 /nfs/dbraw/zinc/03/29/04/991032904.db2.gz KZZMWMIXHRRPQI-FOGDFJRCSA-N 1 2 243.347 1.325 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccnc2F)CC[C@H]1F ZINC001138783111 991039202 /nfs/dbraw/zinc/03/92/02/991039202.db2.gz LMGYPPLQTQQSIN-NXEZZACHSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccnc2F)CC[C@H]1F ZINC001138783111 991039212 /nfs/dbraw/zinc/03/92/12/991039212.db2.gz LMGYPPLQTQQSIN-NXEZZACHSA-N 1 2 228.242 1.125 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2Cc3ccc(F)cc3C2)N1 ZINC001202864887 991040196 /nfs/dbraw/zinc/04/01/96/991040196.db2.gz SAGWKMVGRJMTEQ-LBPRGKRZSA-N 1 2 234.274 1.420 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2Cc3ccc(F)cc3C2)N1 ZINC001202864887 991040203 /nfs/dbraw/zinc/04/02/03/991040203.db2.gz SAGWKMVGRJMTEQ-LBPRGKRZSA-N 1 2 234.274 1.420 20 0 BDADLO C[C@H]1CC([NH2+]Cc2nnc(CO)[nH]2)C[C@H](C)C1 ZINC001308558425 991042926 /nfs/dbraw/zinc/04/29/26/991042926.db2.gz OXUAAKAHXZKVGN-RKDXNWHRSA-N 1 2 238.335 1.211 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1F ZINC001138786832 991046820 /nfs/dbraw/zinc/04/68/20/991046820.db2.gz QLRONIXATRHAKB-PHIMTYICSA-N 1 2 234.274 1.917 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1F ZINC001138786832 991046822 /nfs/dbraw/zinc/04/68/22/991046822.db2.gz QLRONIXATRHAKB-PHIMTYICSA-N 1 2 234.274 1.917 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cnc[nH]1 ZINC001308586975 991054500 /nfs/dbraw/zinc/05/45/00/991054500.db2.gz YBMRUYVRKVAEBA-LBPRGKRZSA-N 1 2 245.326 1.965 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cnc[nH]1 ZINC001308586975 991054511 /nfs/dbraw/zinc/05/45/11/991054511.db2.gz YBMRUYVRKVAEBA-LBPRGKRZSA-N 1 2 245.326 1.965 20 0 BDADLO C[N@H+](Cc1ccnc(Cl)c1)C1(C)COC1 ZINC001138820382 991070536 /nfs/dbraw/zinc/07/05/36/991070536.db2.gz AJAIINNKNCNNFW-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1ccnc(Cl)c1)C1(C)COC1 ZINC001138820382 991070542 /nfs/dbraw/zinc/07/05/42/991070542.db2.gz AJAIINNKNCNNFW-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CCCn1c[nH+]cc1CN1CC[C@@](F)(CO)C1 ZINC001308711596 991103063 /nfs/dbraw/zinc/10/30/63/991103063.db2.gz FENQJBREJAFTPJ-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO C[C@@H](Cc1ccco1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001258193705 991107204 /nfs/dbraw/zinc/10/72/04/991107204.db2.gz ZWLGURBWMHETPL-JTQLQIEISA-N 1 2 231.299 1.960 20 0 BDADLO C[C@@H](Cc1ccco1)[N@H+]1Cc2cnn(C)c2C1 ZINC001258193705 991107212 /nfs/dbraw/zinc/10/72/12/991107212.db2.gz ZWLGURBWMHETPL-JTQLQIEISA-N 1 2 231.299 1.960 20 0 BDADLO CNc1ccccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC001308715128 991109333 /nfs/dbraw/zinc/10/93/33/991109333.db2.gz VKYNODQAQGTUDU-UHFFFAOYSA-N 1 2 247.342 1.439 20 0 BDADLO CNc1ccccc1C[N@H+]1CC(=O)NCC1(C)C ZINC001308715128 991109338 /nfs/dbraw/zinc/10/93/38/991109338.db2.gz VKYNODQAQGTUDU-UHFFFAOYSA-N 1 2 247.342 1.439 20 0 BDADLO CCCc1noc(Cn2c[nH+]c(CC)c2)n1 ZINC001559466606 991112751 /nfs/dbraw/zinc/11/27/51/991112751.db2.gz XUURUVSICIPVFG-UHFFFAOYSA-N 1 2 220.276 1.829 20 0 BDADLO CCC(=O)Oc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC001138962755 991113250 /nfs/dbraw/zinc/11/32/50/991113250.db2.gz XDTMEACPDAEENO-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H](C)CCSC)[C@@H](C)O ZINC001258206429 991124172 /nfs/dbraw/zinc/12/41/72/991124172.db2.gz SOQMRQXWRWMMQX-OPRDCNLKSA-N 1 2 249.376 1.030 20 0 BDADLO OCc1cc[nH+]c(NCc2cccnc2)c1 ZINC001202892883 991136479 /nfs/dbraw/zinc/13/64/79/991136479.db2.gz OEHWGKVQFXCSFV-UHFFFAOYSA-N 1 2 215.256 1.581 20 0 BDADLO CCn1nncc1C[NH+]1CC(C)(CCOC)C1 ZINC001308809493 991142976 /nfs/dbraw/zinc/14/29/76/991142976.db2.gz LITOOBQZABHBHZ-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001139101061 991149282 /nfs/dbraw/zinc/14/92/82/991149282.db2.gz JMCYSGKQRNUYOI-UHFFFAOYSA-N 1 2 235.331 1.828 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001139101061 991149294 /nfs/dbraw/zinc/14/92/94/991149294.db2.gz JMCYSGKQRNUYOI-UHFFFAOYSA-N 1 2 235.331 1.828 20 0 BDADLO c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc2nonc12 ZINC001139224424 991201822 /nfs/dbraw/zinc/20/18/22/991201822.db2.gz HUYBZLMXYGCIHK-UWVGGRQHSA-N 1 2 231.255 1.196 20 0 BDADLO c1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc2nonc12 ZINC001139224424 991201831 /nfs/dbraw/zinc/20/18/31/991201831.db2.gz HUYBZLMXYGCIHK-UWVGGRQHSA-N 1 2 231.255 1.196 20 0 BDADLO COc1ncc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(OC)n1 ZINC001139236926 991210204 /nfs/dbraw/zinc/21/02/04/991210204.db2.gz ISEWTOUVCHHCJS-GXSJLCMTSA-N 1 2 249.314 1.478 20 0 BDADLO COc1ncc(C[N@H+]2CCC[C@H]3C[C@H]32)c(OC)n1 ZINC001139236926 991210214 /nfs/dbraw/zinc/21/02/14/991210214.db2.gz ISEWTOUVCHHCJS-GXSJLCMTSA-N 1 2 249.314 1.478 20 0 BDADLO CCC1(C[N@@H+]2C[C@@H](CO)CC(F)(F)C2)COC1 ZINC001202926064 991229474 /nfs/dbraw/zinc/22/94/74/991229474.db2.gz GFJRPJWBQKWBDA-JTQLQIEISA-N 1 2 249.301 1.363 20 0 BDADLO CCC1(C[N@H+]2C[C@@H](CO)CC(F)(F)C2)COC1 ZINC001202926064 991229489 /nfs/dbraw/zinc/22/94/89/991229489.db2.gz GFJRPJWBQKWBDA-JTQLQIEISA-N 1 2 249.301 1.363 20 0 BDADLO c1nc(C2([NH2+]CCC[C@H]3CCO3)CC2)no1 ZINC001308954142 991232462 /nfs/dbraw/zinc/23/24/62/991232462.db2.gz HTZCTSIOLVSBDL-VIFPVBQESA-N 1 2 223.276 1.217 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCC[C@@H](C)O)no1 ZINC001559731694 991233941 /nfs/dbraw/zinc/23/39/41/991233941.db2.gz UBRSFIWAILBLSB-HTQZYQBOSA-N 1 2 213.281 1.190 20 0 BDADLO O=c1ccc(C[NH+]2CC3(C2)CCCCO3)c[nH]1 ZINC001139465291 991254950 /nfs/dbraw/zinc/25/49/50/991254950.db2.gz IXJLFKFRSKUYHC-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO Cc1cc(C[NH+]2CC(CO)C2)cnc1Cl ZINC001139545171 991267447 /nfs/dbraw/zinc/26/74/47/991267447.db2.gz XTSLSJFTWOBXTL-UHFFFAOYSA-N 1 2 226.707 1.468 20 0 BDADLO c1cc([C@@H]2CCCC[N@H+]2CC2=NOCC2)n[nH]1 ZINC001559831512 991278572 /nfs/dbraw/zinc/27/85/72/991278572.db2.gz VHHPVIABYGSTGD-LBPRGKRZSA-N 1 2 234.303 1.713 20 0 BDADLO c1cc([C@@H]2CCCC[N@@H+]2CC2=NOCC2)n[nH]1 ZINC001559831512 991278589 /nfs/dbraw/zinc/27/85/89/991278589.db2.gz VHHPVIABYGSTGD-LBPRGKRZSA-N 1 2 234.303 1.713 20 0 BDADLO CCONC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001340128454 991305904 /nfs/dbraw/zinc/30/59/04/991305904.db2.gz IPQDFRJVSCXLSK-AULYBMBSSA-N 1 2 234.299 1.113 20 0 BDADLO COC(=O)CC[C@H](C)[N@H+](C)Cc1cscn1 ZINC001258375938 991327473 /nfs/dbraw/zinc/32/74/73/991327473.db2.gz XLBAHANWRIDZKE-VIFPVBQESA-N 1 2 242.344 1.917 20 0 BDADLO COC(=O)CC[C@H](C)[N@@H+](C)Cc1cscn1 ZINC001258375938 991327481 /nfs/dbraw/zinc/32/74/81/991327481.db2.gz XLBAHANWRIDZKE-VIFPVBQESA-N 1 2 242.344 1.917 20 0 BDADLO c1c(C[N@@H+]2CC[C@@]23CCOC3)nc2cnccn12 ZINC001139700782 991331660 /nfs/dbraw/zinc/33/16/60/991331660.db2.gz WAIIVJPQOQNWBX-ZDUSSCGKSA-N 1 2 244.298 1.094 20 0 BDADLO c1c(C[N@H+]2CC[C@@]23CCOC3)nc2cnccn12 ZINC001139700782 991331665 /nfs/dbraw/zinc/33/16/65/991331665.db2.gz WAIIVJPQOQNWBX-ZDUSSCGKSA-N 1 2 244.298 1.094 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CCN(C)C(=O)C1 ZINC001139712175 991335123 /nfs/dbraw/zinc/33/51/23/991335123.db2.gz NLBCEOOMHYPWKE-UHFFFAOYSA-N 1 2 248.326 1.283 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CCN(C)C(=O)C1 ZINC001139712175 991335131 /nfs/dbraw/zinc/33/51/31/991335131.db2.gz NLBCEOOMHYPWKE-UHFFFAOYSA-N 1 2 248.326 1.283 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@H]1CC=CCC1 ZINC001312040159 991342609 /nfs/dbraw/zinc/34/26/09/991342609.db2.gz ANZHAIWCSFNDAV-NSHDSACASA-N 1 2 246.314 1.572 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)CCn1cnnc1 ZINC001560115566 991381085 /nfs/dbraw/zinc/38/10/85/991381085.db2.gz CPUGJWVZJBAAMJ-UHFFFAOYSA-N 1 2 235.118 1.529 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)s1 ZINC001139814581 991380888 /nfs/dbraw/zinc/38/08/88/991380888.db2.gz JOIISYOSNXTZTG-DTWKUNHWSA-N 1 2 246.307 1.056 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H](F)[C@H](O)C2)s1 ZINC001139814581 991380894 /nfs/dbraw/zinc/38/08/94/991380894.db2.gz JOIISYOSNXTZTG-DTWKUNHWSA-N 1 2 246.307 1.056 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)CCn1cnnc1 ZINC001560115566 991381073 /nfs/dbraw/zinc/38/10/73/991381073.db2.gz CPUGJWVZJBAAMJ-UHFFFAOYSA-N 1 2 235.118 1.529 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)nc1 ZINC001139838505 991396514 /nfs/dbraw/zinc/39/65/14/991396514.db2.gz HCGHWHTZOOFQAU-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)nc1 ZINC001139838505 991396519 /nfs/dbraw/zinc/39/65/19/991396519.db2.gz HCGHWHTZOOFQAU-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC1CC1)[C@@H](C)O ZINC001258450094 991397631 /nfs/dbraw/zinc/39/76/31/991397631.db2.gz GEAQHQHJUQRSAN-NGZCFLSTSA-N 1 2 229.320 1.077 20 0 BDADLO CCOC1C[NH+](Cc2ccc3cnn(C)c3c2)C1 ZINC001139904343 991415157 /nfs/dbraw/zinc/41/51/57/991415157.db2.gz OEBKQYCAKBPBQT-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@H+]1CCC(=O)N(C)C ZINC001560218981 991423450 /nfs/dbraw/zinc/42/34/50/991423450.db2.gz DLEGIWRUORQKBA-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@@H+]1CCC(=O)N(C)C ZINC001560218981 991423445 /nfs/dbraw/zinc/42/34/45/991423445.db2.gz DLEGIWRUORQKBA-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO c1ccc2c(c1)C[N@H+](Cc1cccnn1)CCO2 ZINC001139970650 991431556 /nfs/dbraw/zinc/43/15/56/991431556.db2.gz AITMIPMXTLKTND-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO c1ccc2c(c1)C[N@@H+](Cc1cccnn1)CCO2 ZINC001139970650 991431560 /nfs/dbraw/zinc/43/15/60/991431560.db2.gz AITMIPMXTLKTND-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH2+]C(C)(C)C(=O)OC ZINC001258473385 991439529 /nfs/dbraw/zinc/43/95/29/991439529.db2.gz LHJOBEBASPOTNR-SECBINFHSA-N 1 2 245.319 1.259 20 0 BDADLO C/C=C\[C@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001139979797 991447372 /nfs/dbraw/zinc/44/73/72/991447372.db2.gz BUBHVFVNSMVZRF-ZMWSMAPVSA-N 1 2 231.255 1.210 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnnc1 ZINC001139984047 991460772 /nfs/dbraw/zinc/46/07/72/991460772.db2.gz TVDZLDAULUVCKI-NSHDSACASA-N 1 2 207.277 1.087 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnnc1 ZINC001139984047 991460777 /nfs/dbraw/zinc/46/07/77/991460777.db2.gz TVDZLDAULUVCKI-NSHDSACASA-N 1 2 207.277 1.087 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987458 991466831 /nfs/dbraw/zinc/46/68/31/991466831.db2.gz SVIARSBZRPGLIJ-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987458 991466836 /nfs/dbraw/zinc/46/68/36/991466836.db2.gz SVIARSBZRPGLIJ-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO Clc1ncc(C[N@@H+]2CCn3cccc3C2)cn1 ZINC001139990477 991469510 /nfs/dbraw/zinc/46/95/10/991469510.db2.gz RICXAJYLYKGVAF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ncc(C[N@H+]2CCn3cccc3C2)cn1 ZINC001139990477 991469512 /nfs/dbraw/zinc/46/95/12/991469512.db2.gz RICXAJYLYKGVAF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2cnnn2CC)o1 ZINC001560484337 991484007 /nfs/dbraw/zinc/48/40/07/991484007.db2.gz GXVSUKUMKIIOPB-UHFFFAOYSA-N 1 2 249.318 1.447 20 0 BDADLO C[N@H+](Cc1ccsc1)Cc1nccnc1N ZINC001140012770 991485967 /nfs/dbraw/zinc/48/59/67/991485967.db2.gz ZXQFBHLEXZUPNR-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO C[N@@H+](Cc1ccsc1)Cc1nccnc1N ZINC001140012770 991485968 /nfs/dbraw/zinc/48/59/68/991485968.db2.gz ZXQFBHLEXZUPNR-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO CC1(C)CC[C@@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258602813 991487719 /nfs/dbraw/zinc/48/77/19/991487719.db2.gz PCGKVJABCCKZMU-SECBINFHSA-N 1 2 201.285 1.581 20 0 BDADLO CNc1nccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC001140050386 991500693 /nfs/dbraw/zinc/50/06/93/991500693.db2.gz ZMRXQMFLUQGURH-LBPRGKRZSA-N 1 2 248.330 1.129 20 0 BDADLO CNc1nccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC001140050386 991500710 /nfs/dbraw/zinc/50/07/10/991500710.db2.gz ZMRXQMFLUQGURH-LBPRGKRZSA-N 1 2 248.330 1.129 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(CO)cs1 ZINC001560694882 991562176 /nfs/dbraw/zinc/56/21/76/991562176.db2.gz OICAQSXIKVAEFH-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(CO)cs1 ZINC001560694882 991562188 /nfs/dbraw/zinc/56/21/88/991562188.db2.gz OICAQSXIKVAEFH-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO CC(=O)OC1C[NH+]([C@@H](C)Cc2cccnc2)C1 ZINC001258628081 991563305 /nfs/dbraw/zinc/56/33/05/991563305.db2.gz NHDJRAKSVXOKQE-JTQLQIEISA-N 1 2 234.299 1.260 20 0 BDADLO Oc1cnccc1C[NH+]1CC2(C1)CCCCO2 ZINC001140273491 991582921 /nfs/dbraw/zinc/58/29/21/991582921.db2.gz LNXYYLMCVKWGPI-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO C[N@H+](Cc1cncs1)Cc1ccncc1O ZINC001140281386 991600983 /nfs/dbraw/zinc/60/09/83/991600983.db2.gz BBFLECSGCUHFNY-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cncs1)Cc1ccncc1O ZINC001140281386 991600987 /nfs/dbraw/zinc/60/09/87/991600987.db2.gz BBFLECSGCUHFNY-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO COCC[NH+]1CC(NC(=O)CCCC(C)C)C1 ZINC001318062422 991616979 /nfs/dbraw/zinc/61/69/79/991616979.db2.gz CPPWANKPGSZNQL-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)C1CC([NH2+][C@H]2CCCC2(F)F)C1 ZINC001560870495 991632502 /nfs/dbraw/zinc/63/25/02/991632502.db2.gz IHGYEISVDMFURZ-HACHORDNSA-N 1 2 233.258 1.715 20 0 BDADLO C[C@H](C(=O)N(CC(F)F)C1CC1)n1cc[nH+]c1 ZINC001318374556 991655502 /nfs/dbraw/zinc/65/55/02/991655502.db2.gz YMIKXZXUUCTXHW-MRVPVSSYSA-N 1 2 243.257 1.700 20 0 BDADLO C[C@H](C(=O)N1Cc2ccccc2C1)n1cc[nH+]c1 ZINC001318567026 991679863 /nfs/dbraw/zinc/67/98/63/991679863.db2.gz GGFSPZDEYYJZSK-LLVKDONJSA-N 1 2 241.294 1.987 20 0 BDADLO C[C@@H](Cc1cccc(Cl)c1)[NH+]1CC(O)C1 ZINC001258745387 991692500 /nfs/dbraw/zinc/69/25/00/991692500.db2.gz MWRPBYWVCQHUCP-VIFPVBQESA-N 1 2 225.719 1.948 20 0 BDADLO CCCC[C@@H](CCC)[NH2+][C@H](CO)C(=O)OC ZINC001258753125 991699146 /nfs/dbraw/zinc/69/91/46/991699146.db2.gz SDWWHDGOOOCPRG-GHMZBOCLSA-N 1 2 231.336 1.469 20 0 BDADLO Cc1nsc(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001318838046 991722553 /nfs/dbraw/zinc/72/25/53/991722553.db2.gz ITXMFZHGQRMORC-LURJTMIESA-N 1 2 237.288 1.243 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CCC2(C)C)c1 ZINC001564894208 991776420 /nfs/dbraw/zinc/77/64/20/991776420.db2.gz WTIOQADXSCQKLS-UHFFFAOYSA-N 1 2 236.319 1.157 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C=CCCC1)n1cc[nH+]c1 ZINC001319254863 991825106 /nfs/dbraw/zinc/82/51/06/991825106.db2.gz CFRXBYJDWPULEP-GHMZBOCLSA-N 1 2 219.288 1.669 20 0 BDADLO C[C@H](C(=O)N1CCCOC[C@@H]1C)n1cc[nH+]c1 ZINC001319338499 991841522 /nfs/dbraw/zinc/84/15/22/991841522.db2.gz YBMZNKPMFIXBEQ-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001319436254 991865883 /nfs/dbraw/zinc/86/58/83/991865883.db2.gz KAYFDYBUPXRZJX-NSHDSACASA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001319436254 991865887 /nfs/dbraw/zinc/86/58/87/991865887.db2.gz KAYFDYBUPXRZJX-NSHDSACASA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001319436253 991866366 /nfs/dbraw/zinc/86/63/66/991866366.db2.gz KAYFDYBUPXRZJX-LLVKDONJSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001319436253 991866368 /nfs/dbraw/zinc/86/63/68/991866368.db2.gz KAYFDYBUPXRZJX-LLVKDONJSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H](C(=O)Nc1ccc(O)cc1)n1cc[nH+]c1 ZINC001319475775 991873064 /nfs/dbraw/zinc/87/30/64/991873064.db2.gz ZFEBWRKYISLUFM-SECBINFHSA-N 1 2 231.255 1.788 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n[nH]2)C[C@H](C)O1 ZINC001319700033 991940475 /nfs/dbraw/zinc/94/04/75/991940475.db2.gz IPDWDSUSXAYAQM-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n[nH]2)C[C@H](C)O1 ZINC001319700033 991940477 /nfs/dbraw/zinc/94/04/77/991940477.db2.gz IPDWDSUSXAYAQM-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]([NH2+]Cc1nncn1CC)c1cnn(C)c1 ZINC001319749334 991969889 /nfs/dbraw/zinc/96/98/89/991969889.db2.gz HCHFJKJQPBNRCQ-NSHDSACASA-N 1 2 248.334 1.272 20 0 BDADLO CS[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CCF ZINC001567359100 992021044 /nfs/dbraw/zinc/02/10/44/992021044.db2.gz FYTXRXPYWYKHGE-ZJUUUORDSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001567359100 992021053 /nfs/dbraw/zinc/02/10/53/992021053.db2.gz FYTXRXPYWYKHGE-ZJUUUORDSA-N 1 2 248.367 1.288 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)n[nH]1 ZINC001319948545 992043457 /nfs/dbraw/zinc/04/34/57/992043457.db2.gz NYVVRLKEQLYCLX-QYJAPNMZSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)n[nH]1 ZINC001319948545 992043460 /nfs/dbraw/zinc/04/34/60/992043460.db2.gz NYVVRLKEQLYCLX-QYJAPNMZSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)[nH]n1 ZINC001320026701 992078721 /nfs/dbraw/zinc/07/87/21/992078721.db2.gz VULVATGYQAATDC-GZMMTYOYSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)[nH]n1 ZINC001320026701 992078734 /nfs/dbraw/zinc/07/87/34/992078734.db2.gz VULVATGYQAATDC-GZMMTYOYSA-N 1 2 211.284 1.898 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001260732692 992146653 /nfs/dbraw/zinc/14/66/53/992146653.db2.gz NJHMPGBYQOTVDP-AXFHLTTASA-N 1 2 248.392 1.139 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001260732692 992146659 /nfs/dbraw/zinc/14/66/59/992146659.db2.gz NJHMPGBYQOTVDP-AXFHLTTASA-N 1 2 248.392 1.139 20 0 BDADLO CN(C)c1cc(COC(=O)CC2CC2)cc[nH+]1 ZINC001320270237 992148563 /nfs/dbraw/zinc/14/85/63/992148563.db2.gz AQUSSENEOAWTIQ-UHFFFAOYSA-N 1 2 234.299 1.991 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC001260738496 992155221 /nfs/dbraw/zinc/15/52/21/992155221.db2.gz CBPPEXDSSCJDHR-MNOVXSKESA-N 1 2 248.392 1.141 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001260738496 992155225 /nfs/dbraw/zinc/15/52/25/992155225.db2.gz CBPPEXDSSCJDHR-MNOVXSKESA-N 1 2 248.392 1.141 20 0 BDADLO COC[C@@]1(C)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001261256129 992227659 /nfs/dbraw/zinc/22/76/59/992227659.db2.gz WULFAYCYAWBLSU-LBPRGKRZSA-N 1 2 223.320 1.577 20 0 BDADLO COC[C@@]1(C)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001261256129 992227665 /nfs/dbraw/zinc/22/76/65/992227665.db2.gz WULFAYCYAWBLSU-LBPRGKRZSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1cc(C)c(C(=O)OCCn2cc[nH+]c2)[nH]1 ZINC001320557225 992240951 /nfs/dbraw/zinc/24/09/51/992240951.db2.gz AJRBKTRSJMPWGW-UHFFFAOYSA-N 1 2 233.271 1.685 20 0 BDADLO Cc1nocc1C[S@@](=O)Cc1c[nH+]cn1C ZINC001261577964 992401211 /nfs/dbraw/zinc/40/12/11/992401211.db2.gz OGTLOMGGYKJQDL-MRXNPFEDSA-N 1 2 239.300 1.165 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CCSC1)n1cc[nH+]c1 ZINC001321046009 992437674 /nfs/dbraw/zinc/43/76/74/992437674.db2.gz GBVSUJWURHGQQN-UWVGGRQHSA-N 1 2 239.344 1.313 20 0 BDADLO O=C(CCC(F)F)N[C@H]1CCn2cc[nH+]c2C1 ZINC001321088199 992452691 /nfs/dbraw/zinc/45/26/91/992452691.db2.gz WOJCNVMDMCVLFB-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC(C)C)CO2 ZINC001570238171 992458283 /nfs/dbraw/zinc/45/82/83/992458283.db2.gz PWTPHJQLXLFWJI-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO COCC[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001570355900 992462306 /nfs/dbraw/zinc/46/23/06/992462306.db2.gz SGDSACFJJHXDFG-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO COCC[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001570355900 992462311 /nfs/dbraw/zinc/46/23/11/992462311.db2.gz SGDSACFJJHXDFG-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1Cc2cccnc2C1 ZINC001261776005 992502938 /nfs/dbraw/zinc/50/29/38/992502938.db2.gz AVQQORGRFLTJMO-UHFFFAOYSA-N 1 2 242.282 1.280 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc2c[nH]nc21 ZINC001321376508 992530998 /nfs/dbraw/zinc/53/09/98/992530998.db2.gz KQBKAGDFASHPIR-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc2c[nH]nc21 ZINC001321376508 992531008 /nfs/dbraw/zinc/53/10/08/992531008.db2.gz KQBKAGDFASHPIR-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](F)C2)nc(N)[nH+]1 ZINC001261851073 992544577 /nfs/dbraw/zinc/54/45/77/992544577.db2.gz HWWYMJZEDCVAIC-SFYZADRCSA-N 1 2 225.271 1.455 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@@H](F)C2)[nH+]1 ZINC001261851073 992544585 /nfs/dbraw/zinc/54/45/85/992544585.db2.gz HWWYMJZEDCVAIC-SFYZADRCSA-N 1 2 225.271 1.455 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1nccn1C ZINC001262013911 992601729 /nfs/dbraw/zinc/60/17/29/992601729.db2.gz QTCGQXZRKNXJHQ-NSHDSACASA-N 1 2 225.336 1.259 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1nccn1C ZINC001262013911 992601733 /nfs/dbraw/zinc/60/17/33/992601733.db2.gz QTCGQXZRKNXJHQ-NSHDSACASA-N 1 2 225.336 1.259 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113884 992685038 /nfs/dbraw/zinc/68/50/38/992685038.db2.gz DKJBQXKQUIODSD-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113884 992685047 /nfs/dbraw/zinc/68/50/47/992685047.db2.gz DKJBQXKQUIODSD-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1C[C@H]1[C@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001262152051 992695631 /nfs/dbraw/zinc/69/56/31/992695631.db2.gz CZLPMIITXLEVBE-QNWJLWSRSA-N 1 2 247.342 1.852 20 0 BDADLO C[C@H](CC(=O)OCCOC1CC1)n1cc[nH+]c1 ZINC001262188395 992777070 /nfs/dbraw/zinc/77/70/70/992777070.db2.gz PPGNGJFHYWGWLY-SNVBAGLBSA-N 1 2 238.287 1.556 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cncn2C)nn1 ZINC001262205472 992802229 /nfs/dbraw/zinc/80/22/29/992802229.db2.gz UBXOULKVTDOCBX-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO CC(C)n1cc([C@@H](C)NCc2c[nH+]cn2C)nn1 ZINC001262205472 992802231 /nfs/dbraw/zinc/80/22/31/992802231.db2.gz UBXOULKVTDOCBX-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2ncccn2)cnn1C ZINC001262257031 992822022 /nfs/dbraw/zinc/82/20/22/992822022.db2.gz ALCAUBICCVPDEW-NXEZZACHSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(C(=O)NCCNc2cccc[nH+]2)CC=CC1 ZINC001262357403 992856385 /nfs/dbraw/zinc/85/63/85/992856385.db2.gz KQWLXCGWOCVCGS-UHFFFAOYSA-N 1 2 245.326 1.966 20 0 BDADLO CC(C)(C)[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001262667400 993009715 /nfs/dbraw/zinc/00/97/15/993009715.db2.gz UFYBINVRBWEPAG-NSHDSACASA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)(C)[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001262667400 993009722 /nfs/dbraw/zinc/00/97/22/993009722.db2.gz UFYBINVRBWEPAG-NSHDSACASA-N 1 2 235.331 1.989 20 0 BDADLO CCc1ccc(N2CCOC[C@@H]2C)[nH+]c1 ZINC001262698311 993037621 /nfs/dbraw/zinc/03/76/21/993037621.db2.gz PYOOXRPODGLLJC-JTQLQIEISA-N 1 2 206.289 1.869 20 0 BDADLO CC1(C)CCC[C@@H]([NH2+][C@@H](CO)c2c[nH]nn2)C1 ZINC001575945187 993136885 /nfs/dbraw/zinc/13/68/85/993136885.db2.gz HIGXYIIDMQHHPI-KOLCDFICSA-N 1 2 238.335 1.397 20 0 BDADLO CNc1cc(N2CCC[C@H]2C[C@@H](C)O)nc[nH+]1 ZINC000379931668 993298336 /nfs/dbraw/zinc/29/83/36/993298336.db2.gz UVQFBHJGOCITRH-ZJUUUORDSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N2CCC[C@H]2C[C@@H](C)O)[nH+]cn1 ZINC000379931668 993298347 /nfs/dbraw/zinc/29/83/47/993298347.db2.gz UVQFBHJGOCITRH-ZJUUUORDSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N2CCC[C@@H]2C[C@H](C)O)nc[nH+]1 ZINC000379931662 993298372 /nfs/dbraw/zinc/29/83/72/993298372.db2.gz UVQFBHJGOCITRH-VHSXEESVSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N2CCC[C@@H]2C[C@H](C)O)[nH+]cn1 ZINC000379931662 993298380 /nfs/dbraw/zinc/29/83/80/993298380.db2.gz UVQFBHJGOCITRH-VHSXEESVSA-N 1 2 236.319 1.258 20 0 BDADLO CCCCOC(=O)NCCCn1cc[nH+]c1 ZINC000586475904 993374106 /nfs/dbraw/zinc/37/41/06/993374106.db2.gz KWAPUFWTTNIPLQ-UHFFFAOYSA-N 1 2 225.292 1.800 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000381361821 993389175 /nfs/dbraw/zinc/38/91/75/993389175.db2.gz DFZZRNLUSXGFFI-NSHDSACASA-N 1 2 229.320 1.079 20 0 BDADLO CC[C@@H](OC)C(=O)OCc1c[nH+]cn1CC ZINC001263663063 993454439 /nfs/dbraw/zinc/45/44/39/993454439.db2.gz STXXLVJDWVSKDO-SNVBAGLBSA-N 1 2 226.276 1.371 20 0 BDADLO C[C@@H](N(C)C(=O)CCc1[nH+]ccn1C)C1(C)CC1 ZINC001263765637 993495839 /nfs/dbraw/zinc/49/58/39/993495839.db2.gz XTQBQCCSOMFKOL-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO C[N@H+](Cc1c(F)ccc(N)c1F)[C@@H]1CCOC1 ZINC000383613568 993504654 /nfs/dbraw/zinc/50/46/54/993504654.db2.gz TUQRTEYJIDCVID-MRVPVSSYSA-N 1 2 242.269 1.768 20 0 BDADLO C[N@@H+](Cc1c(F)ccc(N)c1F)[C@@H]1CCOC1 ZINC000383613568 993504665 /nfs/dbraw/zinc/50/46/65/993504665.db2.gz TUQRTEYJIDCVID-MRVPVSSYSA-N 1 2 242.269 1.768 20 0 BDADLO CNc1cc(CNC(=O)NCCCF)cc[nH+]1 ZINC001263778097 993507273 /nfs/dbraw/zinc/50/72/73/993507273.db2.gz DUIJOJDXIKYVBQ-UHFFFAOYSA-N 1 2 240.282 1.282 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cccc(O)c2)n1C ZINC000383684692 993513596 /nfs/dbraw/zinc/51/35/96/993513596.db2.gz CZVNUEOCLWFLTJ-UHFFFAOYSA-N 1 2 232.287 1.119 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001263927253 993607982 /nfs/dbraw/zinc/60/79/82/993607982.db2.gz YIHULWCLBUSHPX-IJLUTSLNSA-N 1 2 247.342 1.515 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(C#N)cc2C)C1 ZINC000388569780 993731580 /nfs/dbraw/zinc/73/15/80/993731580.db2.gz CGFRRBIEWDHYFR-UHFFFAOYSA-N 1 2 243.310 1.187 20 0 BDADLO Cc1[nH+]ccn1CCNc1ncccc1N ZINC000390478277 993792217 /nfs/dbraw/zinc/79/22/17/993792217.db2.gz KBGPEQUDEMNIPE-UHFFFAOYSA-N 1 2 217.276 1.281 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2nnc(C)[nH]2)cn1 ZINC000392426756 993858943 /nfs/dbraw/zinc/85/89/43/993858943.db2.gz WVTRETSVPVFTGY-RKDXNWHRSA-N 1 2 248.334 1.741 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)[nH]1 ZINC000392470473 993861372 /nfs/dbraw/zinc/86/13/72/993861372.db2.gz QIZPZIPAVUZEJJ-DTWKUNHWSA-N 1 2 231.303 1.920 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccncc2C)[nH]1 ZINC000392447990 993861641 /nfs/dbraw/zinc/86/16/41/993861641.db2.gz FWXVGEMFDIWPIZ-UHFFFAOYSA-N 1 2 231.303 1.360 20 0 BDADLO [NH3+][C@H](CC(=O)N1CCC=C(Cl)C1)C(F)F ZINC000724716356 994070938 /nfs/dbraw/zinc/07/09/38/994070938.db2.gz BGOGRJZOKUBZSQ-SSDOTTSWSA-N 1 2 238.665 1.324 20 0 BDADLO CC(C)CC1(NC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000724734261 994077321 /nfs/dbraw/zinc/07/73/21/994077321.db2.gz NFYFZQMYDDEVEZ-MRVPVSSYSA-N 1 2 234.290 1.664 20 0 BDADLO CCC[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001280399332 994110462 /nfs/dbraw/zinc/11/04/62/994110462.db2.gz LJXNDXXVGVGDQG-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001280399332 994110475 /nfs/dbraw/zinc/11/04/75/994110475.db2.gz LJXNDXXVGVGDQG-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593248173 994469809 /nfs/dbraw/zinc/46/98/09/994469809.db2.gz JULYBEYSVHCIQO-GARJFASQSA-N 1 2 240.347 1.170 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)o1 ZINC001334327209 994581582 /nfs/dbraw/zinc/58/15/82/994581582.db2.gz PJDOCVSYLLOMIK-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)o1 ZINC001334327209 994581592 /nfs/dbraw/zinc/58/15/92/994581592.db2.gz PJDOCVSYLLOMIK-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)o1 ZINC001334327209 994581602 /nfs/dbraw/zinc/58/16/02/994581602.db2.gz PJDOCVSYLLOMIK-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)o1 ZINC001334327209 994581611 /nfs/dbraw/zinc/58/16/11/994581611.db2.gz PJDOCVSYLLOMIK-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@]1(F)CCOC1 ZINC001334740464 994627751 /nfs/dbraw/zinc/62/77/51/994627751.db2.gz QNGXLJFMOXJKBR-LBPRGKRZSA-N 1 2 249.245 1.401 20 0 BDADLO CC(C)c1cc(NC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001294098576 994680975 /nfs/dbraw/zinc/68/09/75/994680975.db2.gz CSNHYVXIEMZWGI-SECBINFHSA-N 1 2 237.303 1.831 20 0 BDADLO CC(C)c1cc(NC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001294098576 994680972 /nfs/dbraw/zinc/68/09/72/994680972.db2.gz CSNHYVXIEMZWGI-SECBINFHSA-N 1 2 237.303 1.831 20 0 BDADLO C[NH2+]CC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1C ZINC001598666735 994688600 /nfs/dbraw/zinc/68/86/00/994688600.db2.gz JRZVFPAEROXPDM-LBPRGKRZSA-N 1 2 236.315 1.272 20 0 BDADLO C[NH2+]CC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1C ZINC001598666735 994688603 /nfs/dbraw/zinc/68/86/03/994688603.db2.gz JRZVFPAEROXPDM-LBPRGKRZSA-N 1 2 236.315 1.272 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@H]2C[C@H]2F)[nH+]1 ZINC001304108567 995188348 /nfs/dbraw/zinc/18/83/48/995188348.db2.gz VYVDFEPANYTKSA-DTWKUNHWSA-N 1 2 225.267 1.507 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@H]2C[C@H]2F)c[nH+]1 ZINC001304108567 995188358 /nfs/dbraw/zinc/18/83/58/995188358.db2.gz VYVDFEPANYTKSA-DTWKUNHWSA-N 1 2 225.267 1.507 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ccon2)[nH+]1 ZINC001304108552 995188491 /nfs/dbraw/zinc/18/84/91/995188491.db2.gz VMIMTYPJIXGPPR-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ccon2)c[nH+]1 ZINC001304108552 995188494 /nfs/dbraw/zinc/18/84/94/995188494.db2.gz VMIMTYPJIXGPPR-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc[nH+]cc2F)n[nH]1 ZINC001337902122 995223843 /nfs/dbraw/zinc/22/38/43/995223843.db2.gz MNXJZCFLTZSCDL-MRVPVSSYSA-N 1 2 234.278 1.717 20 0 BDADLO C[N@H+](Cc1ccc(S(C)(=O)=O)o1)C1CCC1 ZINC001307495288 995383184 /nfs/dbraw/zinc/38/31/84/995383184.db2.gz BSVJMRDMUBXWDA-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)o1)C1CCC1 ZINC001307495288 995383191 /nfs/dbraw/zinc/38/31/91/995383191.db2.gz BSVJMRDMUBXWDA-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H]1Cc1ccc(OC)cc1 ZINC001307525455 995392807 /nfs/dbraw/zinc/39/28/07/995392807.db2.gz GCSHUUFIQBIGNY-LBPRGKRZSA-N 1 2 249.310 1.485 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H]1Cc1ccc(OC)cc1 ZINC001307525455 995392813 /nfs/dbraw/zinc/39/28/13/995392813.db2.gz GCSHUUFIQBIGNY-LBPRGKRZSA-N 1 2 249.310 1.485 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCc2cnccn2)[nH]1 ZINC001307634190 995421948 /nfs/dbraw/zinc/42/19/48/995421948.db2.gz CCRQJGMEOVBJNY-SECBINFHSA-N 1 2 246.318 1.139 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCc2cnccn2)[nH]1 ZINC001307634190 995421953 /nfs/dbraw/zinc/42/19/53/995421953.db2.gz CCRQJGMEOVBJNY-SECBINFHSA-N 1 2 246.318 1.139 20 0 BDADLO c1cc(CC[N@H+]2CCn3nccc3C2)sn1 ZINC001307958839 995511460 /nfs/dbraw/zinc/51/14/60/995511460.db2.gz TUUUXLVBNHWOML-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO c1cc(CC[N@@H+]2CCn3nccc3C2)sn1 ZINC001307958839 995511455 /nfs/dbraw/zinc/51/14/55/995511455.db2.gz TUUUXLVBNHWOML-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000074450038 136208137 /nfs/dbraw/zinc/20/81/37/136208137.db2.gz MNTWTSIWEBKXHB-QMMMGPOBSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000074450038 136208138 /nfs/dbraw/zinc/20/81/38/136208138.db2.gz MNTWTSIWEBKXHB-QMMMGPOBSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)NCc1c[nH+]cn1C ZINC000334589027 398138372 /nfs/dbraw/zinc/13/83/72/398138372.db2.gz BCKKEABKQYNYKE-DTORHVGOSA-N 1 2 222.292 1.112 20 0 BDADLO Cc1ccc(NC(=O)Cc2cc[nH]n2)c(C)[nH+]1 ZINC000267983599 538915723 /nfs/dbraw/zinc/91/57/23/538915723.db2.gz IFBNVIKAWGVBGW-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000649863555 398145164 /nfs/dbraw/zinc/14/51/64/398145164.db2.gz IOYKBSREDRAMQW-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000649863555 398145166 /nfs/dbraw/zinc/14/51/66/398145166.db2.gz IOYKBSREDRAMQW-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCCc1nc(C[N@H+](C)[C@H](C)CCO)no1 ZINC000649867054 398147791 /nfs/dbraw/zinc/14/77/91/398147791.db2.gz DFMDBDLGKMEJSZ-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCC(CC)(NCc1c[nH+]c[nH]1)C(=O)OC ZINC000309502762 168330643 /nfs/dbraw/zinc/33/06/43/168330643.db2.gz BGGPDPIWDNAZTC-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CCC(CC)(NCc1c[nH]c[nH+]1)C(=O)OC ZINC000309502762 168330645 /nfs/dbraw/zinc/33/06/45/168330645.db2.gz BGGPDPIWDNAZTC-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CCCCc1nc(C[N@@H+](C)[C@H](C)CCO)no1 ZINC000649867054 398147794 /nfs/dbraw/zinc/14/77/94/398147794.db2.gz DFMDBDLGKMEJSZ-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000649866991 398148015 /nfs/dbraw/zinc/14/80/15/398148015.db2.gz BPGTZRQPDSJTSX-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000649866991 398148018 /nfs/dbraw/zinc/14/80/18/398148018.db2.gz BPGTZRQPDSJTSX-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)no1 ZINC000335157674 178006072 /nfs/dbraw/zinc/00/60/72/178006072.db2.gz WLCUMKKLDUIXNI-UWVGGRQHSA-N 1 2 210.302 1.673 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)no1 ZINC000335157674 178006076 /nfs/dbraw/zinc/00/60/76/178006076.db2.gz WLCUMKKLDUIXNI-UWVGGRQHSA-N 1 2 210.302 1.673 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cscn1 ZINC000572455654 398152093 /nfs/dbraw/zinc/15/20/93/398152093.db2.gz WUDDLUNDMBYKBZ-FXPVBKGRSA-N 1 2 242.344 1.598 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)nn1C ZINC000336696786 178008441 /nfs/dbraw/zinc/00/84/41/178008441.db2.gz GVZSGJCHIRJJRX-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)nn1C ZINC000336696786 178008444 /nfs/dbraw/zinc/00/84/44/178008444.db2.gz GVZSGJCHIRJJRX-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nn(C)cc1Cl ZINC000649871345 398154467 /nfs/dbraw/zinc/15/44/67/398154467.db2.gz YLODMDIBSVFHDN-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000649871345 398154472 /nfs/dbraw/zinc/15/44/72/398154472.db2.gz YLODMDIBSVFHDN-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)nc1 ZINC000649897038 398169204 /nfs/dbraw/zinc/16/92/04/398169204.db2.gz HBTFRGKIOROZRX-NSHDSACASA-N 1 2 235.331 1.299 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C)nc1 ZINC000649897038 398169207 /nfs/dbraw/zinc/16/92/07/398169207.db2.gz HBTFRGKIOROZRX-NSHDSACASA-N 1 2 235.331 1.299 20 0 BDADLO C[C@@H]1CC[N@H+](CC2(F)CC2)CC[S@]1=O ZINC000527528222 398170902 /nfs/dbraw/zinc/17/09/02/398170902.db2.gz IPEJTVLSNXRBBX-YMTOWFKASA-N 1 2 219.325 1.331 20 0 BDADLO C[C@@H]1CC[N@@H+](CC2(F)CC2)CC[S@]1=O ZINC000527528222 398170906 /nfs/dbraw/zinc/17/09/06/398170906.db2.gz IPEJTVLSNXRBBX-YMTOWFKASA-N 1 2 219.325 1.331 20 0 BDADLO CCN1OC[C@@H]([N@H+](C)Cc2ccccc2C)C1=O ZINC000647955293 398171772 /nfs/dbraw/zinc/17/17/72/398171772.db2.gz MTJVOLRNCXWPDC-CYBMUJFWSA-N 1 2 248.326 1.589 20 0 BDADLO CCN1OC[C@@H]([N@@H+](C)Cc2ccccc2C)C1=O ZINC000647955293 398171776 /nfs/dbraw/zinc/17/17/76/398171776.db2.gz MTJVOLRNCXWPDC-CYBMUJFWSA-N 1 2 248.326 1.589 20 0 BDADLO Cc1cc(C[NH2+][C@H](c2nccn2C)C2CC2)on1 ZINC000187763025 178038605 /nfs/dbraw/zinc/03/86/05/178038605.db2.gz BTISYDDUEBSVPA-LBPRGKRZSA-N 1 2 246.314 1.957 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)no1 ZINC000352746032 178042305 /nfs/dbraw/zinc/04/23/05/178042305.db2.gz OAPKXIDEDJROPH-RNCFNFMXSA-N 1 2 235.331 1.555 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000558639490 398182420 /nfs/dbraw/zinc/18/24/20/398182420.db2.gz UJSWEBYFCMNJIU-NSHDSACASA-N 1 2 237.347 2.000 20 0 BDADLO CC(C)CC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649881591 398161424 /nfs/dbraw/zinc/16/14/24/398161424.db2.gz AIMAEMPSAKXJTJ-CYBMUJFWSA-N 1 2 237.347 1.840 20 0 BDADLO CC(C)CC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649881591 398161432 /nfs/dbraw/zinc/16/14/32/398161432.db2.gz AIMAEMPSAKXJTJ-CYBMUJFWSA-N 1 2 237.347 1.840 20 0 BDADLO C[C@@H](O)[C@@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000270065985 538921572 /nfs/dbraw/zinc/92/15/72/538921572.db2.gz DCNFOQSKRJFBQP-RKDXNWHRSA-N 1 2 219.288 1.768 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2ccco2)[nH]1 ZINC000162458305 538922774 /nfs/dbraw/zinc/92/27/74/538922774.db2.gz HFSGUXBTTOFIAS-MRVPVSSYSA-N 1 2 220.276 1.811 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cc(=O)c(O)co2)o1 ZINC000072956733 398190275 /nfs/dbraw/zinc/19/02/75/398190275.db2.gz DZRCSAZJECAYRS-UHFFFAOYSA-N 1 2 249.266 1.879 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cc(=O)c(O)co2)o1 ZINC000072956733 398190278 /nfs/dbraw/zinc/19/02/78/398190278.db2.gz DZRCSAZJECAYRS-UHFFFAOYSA-N 1 2 249.266 1.879 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCNC2=O)nc(C(C)C)[nH+]1 ZINC000340077170 178099944 /nfs/dbraw/zinc/09/99/44/178099944.db2.gz RSJWTBYOJYOXGM-SNVBAGLBSA-N 1 2 248.330 1.233 20 0 BDADLO Cc1cc(N)nc(SCCC[C@H](C)O)[nH+]1 ZINC000308859265 178110070 /nfs/dbraw/zinc/11/00/70/178110070.db2.gz UUDJKPBKVUVRQR-QMMMGPOBSA-N 1 2 227.333 1.620 20 0 BDADLO CCCCNc1cc(NC[C@@H]2C[C@H]2C)nc(N)[nH+]1 ZINC000341783906 398185084 /nfs/dbraw/zinc/18/50/84/398185084.db2.gz YVFZPOUWXZMAOV-ZJUUUORDSA-N 1 2 249.362 1.591 20 0 BDADLO CCCCNc1cc(NC[C@@H]2C[C@H]2C)[nH+]c(N)n1 ZINC000341783906 398185088 /nfs/dbraw/zinc/18/50/88/398185088.db2.gz YVFZPOUWXZMAOV-ZJUUUORDSA-N 1 2 249.362 1.591 20 0 BDADLO Cc1cc(N2CCC[C@@H]2C(=O)NC2CC2)nc[nH+]1 ZINC000301230282 178114319 /nfs/dbraw/zinc/11/43/19/178114319.db2.gz AIEJSEYYXZSJJG-LLVKDONJSA-N 1 2 246.314 1.032 20 0 BDADLO Cc1cc(N2CCOCC3(CC3)C2)nc[nH+]1 ZINC000360184462 178115614 /nfs/dbraw/zinc/11/56/14/178115614.db2.gz LGAZEAZLEJGUKH-UHFFFAOYSA-N 1 2 219.288 1.402 20 0 BDADLO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000120907445 398201331 /nfs/dbraw/zinc/20/13/31/398201331.db2.gz PDLKGYVKNBNNJD-NXEZZACHSA-N 1 2 238.335 1.499 20 0 BDADLO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000120907445 398201335 /nfs/dbraw/zinc/20/13/35/398201335.db2.gz PDLKGYVKNBNNJD-NXEZZACHSA-N 1 2 238.335 1.499 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@H]1COCCO1 ZINC000649401561 398203758 /nfs/dbraw/zinc/20/37/58/398203758.db2.gz BVZHHVOAEKAPHU-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1C[C@H]1COCCO1 ZINC000649401561 398203761 /nfs/dbraw/zinc/20/37/61/398203761.db2.gz BVZHHVOAEKAPHU-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO Cc1cc(NC(=O)N2CCC(C)(O)CC2)cc[nH+]1 ZINC000179817454 178135674 /nfs/dbraw/zinc/13/56/74/178135674.db2.gz XYTKMEAMOSFWFC-UHFFFAOYSA-N 1 2 249.314 1.769 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@@H](C)CO)cc[nH+]1 ZINC000283314768 178136547 /nfs/dbraw/zinc/13/65/47/178136547.db2.gz WNWLGPGSOXUJNC-VIFPVBQESA-N 1 2 223.276 1.235 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000119307661 178137204 /nfs/dbraw/zinc/13/72/04/178137204.db2.gz FXUGFBCXPAHUMB-LLVKDONJSA-N 1 2 235.287 1.379 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H]2CO)cc[nH+]1 ZINC000190170702 178137740 /nfs/dbraw/zinc/13/77/40/178137740.db2.gz HJHMJMBJPCLYAY-CABZTGNLSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(NC(=O)NCC(F)(F)CO)cc[nH+]1 ZINC000185555067 178138462 /nfs/dbraw/zinc/13/84/62/178138462.db2.gz UJPPZECBPKCUQM-UHFFFAOYSA-N 1 2 245.229 1.139 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000187666534 178140887 /nfs/dbraw/zinc/14/08/87/178140887.db2.gz FRCHYYNICGEJCQ-VXGBXAGGSA-N 1 2 249.314 1.815 20 0 BDADLO Cc1cc(NC(=O)NC[C@H](C)CO)cc[nH+]1 ZINC000271148902 178141047 /nfs/dbraw/zinc/14/10/47/178141047.db2.gz SJWZDXLCLHOVME-QMMMGPOBSA-N 1 2 223.276 1.140 20 0 BDADLO Cc1cc(NC(=O)N[C@]2(C)CCOC2)cc[nH+]1 ZINC000119948838 178142229 /nfs/dbraw/zinc/14/22/29/178142229.db2.gz BMQJVDURKFHGKT-GFCCVEGCSA-N 1 2 235.287 1.691 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1snnc1C ZINC000576350161 365573719 /nfs/dbraw/zinc/57/37/19/365573719.db2.gz FZHHISFFSMZSLH-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1snnc1C ZINC000576350161 365573723 /nfs/dbraw/zinc/57/37/23/365573723.db2.gz FZHHISFFSMZSLH-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CCc1nc(N2C[C@H](O)C[C@H]2C)cc(C)[nH+]1 ZINC000343212138 365575697 /nfs/dbraw/zinc/57/56/97/365575697.db2.gz BGCCOPSLPNAWIX-NXEZZACHSA-N 1 2 221.304 1.307 20 0 BDADLO Cc1cc(NCCC2CC(O)C2)nc[nH+]1 ZINC000309089871 178157991 /nfs/dbraw/zinc/15/79/91/178157991.db2.gz BURQDKIQUCTAQV-UHFFFAOYSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1cc(NCCC(=O)N2CCCCC2)nc[nH+]1 ZINC000134625807 178158572 /nfs/dbraw/zinc/15/85/72/178158572.db2.gz SHULHNKDDUMETC-UHFFFAOYSA-N 1 2 248.330 1.600 20 0 BDADLO Cc1cc(NCCCO[C@@H]2CCOC2)nc[nH+]1 ZINC000301603100 178160507 /nfs/dbraw/zinc/16/05/07/178160507.db2.gz KTLSCRSZLJELQN-LLVKDONJSA-N 1 2 237.303 1.393 20 0 BDADLO Cc1cc(NC[C@H](CO)C(C)C)nc[nH+]1 ZINC000308990145 178169157 /nfs/dbraw/zinc/16/91/57/178169157.db2.gz KXRJZYXILXSLMD-SNVBAGLBSA-N 1 2 209.293 1.461 20 0 BDADLO Cc1cc(NC[C@H](O)COCC(C)C)nc[nH+]1 ZINC000301223818 178169261 /nfs/dbraw/zinc/16/92/61/178169261.db2.gz DQGSFUAYCVFQSN-NSHDSACASA-N 1 2 239.319 1.230 20 0 BDADLO Cc1cc(NC[C@H]2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000310260729 178169583 /nfs/dbraw/zinc/16/95/83/178169583.db2.gz GHZOAPAHZNWSQJ-NWDGAFQWSA-N 1 2 235.331 1.996 20 0 BDADLO Cc1cc(NC[C@](C)(O)C(C)C)nc[nH+]1 ZINC000301226048 178169651 /nfs/dbraw/zinc/16/96/51/178169651.db2.gz FYUJQECPXKFLBJ-NSHDSACASA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NCc2cccnc2)nc[nH+]1 ZINC000040431435 178175525 /nfs/dbraw/zinc/17/55/25/178175525.db2.gz ASLDDARFTWIQTK-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H]3OCCC[C@H]23)nc[nH+]1 ZINC000302543231 178184217 /nfs/dbraw/zinc/18/42/17/178184217.db2.gz IDIFAOYUYZDGTP-GMTAPVOTSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000168296435 178184939 /nfs/dbraw/zinc/18/49/39/178184939.db2.gz GBSYTRKAMGSYJR-RKDXNWHRSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1cc(N[C@H](C)c2nncn2C)nc[nH+]1 ZINC000050419837 178186951 /nfs/dbraw/zinc/18/69/51/178186951.db2.gz ABTQHKCODYDIML-MRVPVSSYSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000329102061 178190675 /nfs/dbraw/zinc/19/06/75/178190675.db2.gz FKFGLKKPDOCUPC-AAEUAGOBSA-N 1 2 249.314 1.535 20 0 BDADLO C[C@@H]1CC=CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000342432030 136223105 /nfs/dbraw/zinc/22/31/05/136223105.db2.gz SAHVQDOCDJFPKN-OLZOCXBDSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(N(C)C)c2)CC(=O)N1 ZINC000650051462 398227253 /nfs/dbraw/zinc/22/72/53/398227253.db2.gz IPKUDGYFAAIJHA-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(N(C)C)c2)CC(=O)N1 ZINC000650051462 398227255 /nfs/dbraw/zinc/22/72/55/398227255.db2.gz IPKUDGYFAAIJHA-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCCOCC2)n1 ZINC000364130222 178203905 /nfs/dbraw/zinc/20/39/05/178203905.db2.gz SBLHKFQSGJFXSH-JTQLQIEISA-N 1 2 237.303 1.274 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCCOCC2)n1 ZINC000364130222 178203907 /nfs/dbraw/zinc/20/39/07/178203907.db2.gz SBLHKFQSGJFXSH-JTQLQIEISA-N 1 2 237.303 1.274 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276590240 538932969 /nfs/dbraw/zinc/93/29/69/538932969.db2.gz MXRQBPNAIZETQX-UHFFFAOYSA-N 1 2 237.303 1.074 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276590240 538932970 /nfs/dbraw/zinc/93/29/70/538932970.db2.gz MXRQBPNAIZETQX-UHFFFAOYSA-N 1 2 237.303 1.074 20 0 BDADLO C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000276716743 538933001 /nfs/dbraw/zinc/93/30/01/538933001.db2.gz RUDKMPNSWDZMCT-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000276716743 538933003 /nfs/dbraw/zinc/93/30/03/538933003.db2.gz RUDKMPNSWDZMCT-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO COc1ncccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000276647567 538933367 /nfs/dbraw/zinc/93/33/67/538933367.db2.gz YPPBDRUXGIRLLR-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1ncccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000276647567 538933369 /nfs/dbraw/zinc/93/33/69/538933369.db2.gz YPPBDRUXGIRLLR-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCc2ccncc2)C1 ZINC000425508332 398230535 /nfs/dbraw/zinc/23/05/35/398230535.db2.gz HLMVJDQPCWYSHD-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCc2ccncc2)C1 ZINC000425508332 398230537 /nfs/dbraw/zinc/23/05/37/398230537.db2.gz HLMVJDQPCWYSHD-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CC/C=C/CC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425508333 398230707 /nfs/dbraw/zinc/23/07/07/398230707.db2.gz HMBMZFIGRMXZPB-AATRIKPKSA-N 1 2 210.321 1.854 20 0 BDADLO CC/C=C/CC[N@H+]1CCN(C(=O)CC)C1 ZINC000425508333 398230709 /nfs/dbraw/zinc/23/07/09/398230709.db2.gz HMBMZFIGRMXZPB-AATRIKPKSA-N 1 2 210.321 1.854 20 0 BDADLO CCC(CC)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368650711 168356774 /nfs/dbraw/zinc/35/67/74/168356774.db2.gz RBOXCKWIDAURDB-SECBINFHSA-N 1 2 234.290 1.536 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)no1 ZINC000336631901 178232222 /nfs/dbraw/zinc/23/22/22/178232222.db2.gz GGUFQVZYKYJBDJ-ZJUUUORDSA-N 1 2 237.303 1.254 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCSCC1 ZINC000279843150 538936508 /nfs/dbraw/zinc/93/65/08/538936508.db2.gz HSIACAQWTMOORQ-UHFFFAOYSA-N 1 2 239.344 1.308 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCSCC1 ZINC000279843150 538936509 /nfs/dbraw/zinc/93/65/09/538936509.db2.gz HSIACAQWTMOORQ-UHFFFAOYSA-N 1 2 239.344 1.308 20 0 BDADLO COc1cc(NCCc2cccc(C)[nH+]2)ncn1 ZINC000280192659 538937005 /nfs/dbraw/zinc/93/70/05/538937005.db2.gz FMUYXHLVUWASDE-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO Cc1cc([C@H](C)NCc2[nH+]ccn2C)no1 ZINC000330364267 178252313 /nfs/dbraw/zinc/25/23/13/178252313.db2.gz IUJQMLDOEDFDHW-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC1CC1 ZINC000279731225 538936155 /nfs/dbraw/zinc/93/61/55/538936155.db2.gz CIOLGPMGABHHPK-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC2)no1 ZINC000363089428 178265484 /nfs/dbraw/zinc/26/54/84/178265484.db2.gz GLJHBGCXSFBQNX-GFCCVEGCSA-N 1 2 249.314 1.352 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC2)no1 ZINC000363089428 178265487 /nfs/dbraw/zinc/26/54/87/178265487.db2.gz GLJHBGCXSFBQNX-GFCCVEGCSA-N 1 2 249.314 1.352 20 0 BDADLO Cc1cc([C@](C)(O)C[NH2+]Cc2ccn[nH]2)c(C)o1 ZINC000266185909 178270254 /nfs/dbraw/zinc/27/02/54/178270254.db2.gz WWUHECLQCJEIRS-CYBMUJFWSA-N 1 2 249.314 1.617 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281617732 538938996 /nfs/dbraw/zinc/93/89/96/538938996.db2.gz PBNHCYWZZUNGDA-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281617732 538938997 /nfs/dbraw/zinc/93/89/97/538938997.db2.gz PBNHCYWZZUNGDA-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N(C)CC(N)=O ZINC000302731312 178299263 /nfs/dbraw/zinc/29/92/63/178299263.db2.gz MKMKDLLROGAYOB-UHFFFAOYSA-N 1 2 229.283 1.465 20 0 BDADLO Cn1c[nH+]c(CCNc2ncc(Cl)cn2)c1 ZINC000313443279 398248178 /nfs/dbraw/zinc/24/81/78/398248178.db2.gz MAHDURYNVKURHM-UHFFFAOYSA-N 1 2 237.694 1.518 20 0 BDADLO CCc1nc(N[C@H](C)c2n[nH]c(C)n2)cc(C)[nH+]1 ZINC000343905785 365639252 /nfs/dbraw/zinc/63/92/52/365639252.db2.gz CJOORNCZKHKQBG-MRVPVSSYSA-N 1 2 246.318 1.369 20 0 BDADLO COCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC000285735837 538941956 /nfs/dbraw/zinc/94/19/56/538941956.db2.gz HCCUHNONEQIKOK-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO COCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC000285735837 538941957 /nfs/dbraw/zinc/94/19/57/538941957.db2.gz HCCUHNONEQIKOK-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)c1c[nH]c[nH+]1 ZINC000576562240 365624157 /nfs/dbraw/zinc/62/41/57/365624157.db2.gz YAEPGIGIOAMFLL-VWYCJHECSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ncc[nH]1 ZINC000286146171 538943132 /nfs/dbraw/zinc/94/31/32/538943132.db2.gz PDJZEPOTDMEPJZ-XDTLVQLUSA-N 1 2 243.310 1.719 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]cn2CC)CCO1 ZINC000417697663 398253153 /nfs/dbraw/zinc/25/31/53/398253153.db2.gz IEEAWKXTRFDFOB-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1C ZINC000291398628 538947264 /nfs/dbraw/zinc/94/72/64/538947264.db2.gz IKHVHJQKJNTYGD-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1conc1C1CC1 ZINC000291216715 538947279 /nfs/dbraw/zinc/94/72/79/538947279.db2.gz MKRXVOVJAUJMAJ-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291469066 538947894 /nfs/dbraw/zinc/94/78/94/538947894.db2.gz OYHODBQBLWIHCW-VHSXEESVSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@H](C)c2ncn(C)n2)n1 ZINC000391849701 398262105 /nfs/dbraw/zinc/26/21/05/398262105.db2.gz QDNOZBLBMSJSJL-SECBINFHSA-N 1 2 247.302 1.075 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH+]cn2C)[nH]n1 ZINC000291446852 538948197 /nfs/dbraw/zinc/94/81/97/538948197.db2.gz MVPADPWCYPDNNV-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cc1cc(C)cc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291454135 538948254 /nfs/dbraw/zinc/94/82/54/538948254.db2.gz NLFCQDRTYHKMOU-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029067824 538948631 /nfs/dbraw/zinc/94/86/31/538948631.db2.gz LUHNAEOMOOCUDI-LBPRGKRZSA-N 1 2 229.283 1.646 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)Cc1cc[nH]n1 ZINC000174206518 538948645 /nfs/dbraw/zinc/94/86/45/538948645.db2.gz KFHLPHPCFJPSFE-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Cc1ccsc1 ZINC000291196828 538947861 /nfs/dbraw/zinc/94/78/61/538947861.db2.gz DNVYGLCSBLNCDL-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@H]1CCOC1 ZINC000178348549 538952869 /nfs/dbraw/zinc/95/28/69/538952869.db2.gz JLXLIPGFEKKTLQ-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@H]1CCOC1 ZINC000178348549 538952870 /nfs/dbraw/zinc/95/28/70/538952870.db2.gz JLXLIPGFEKKTLQ-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)n1C ZINC000049086940 178379129 /nfs/dbraw/zinc/37/91/29/178379129.db2.gz QUGSYSJNPPXNNC-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO CC(C)c1nc(NC[C@]2(O)CCOC2)cc[nH+]1 ZINC000178962046 538954488 /nfs/dbraw/zinc/95/44/88/538954488.db2.gz MDELMNDAHZJOCH-GFCCVEGCSA-N 1 2 237.303 1.163 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@@](C)(O)CO ZINC000090287856 398268500 /nfs/dbraw/zinc/26/85/00/398268500.db2.gz SBJDYLZLDSFZLT-CQSZACIVSA-N 1 2 246.310 1.698 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000180076153 538957553 /nfs/dbraw/zinc/95/75/53/538957553.db2.gz BXRSGWWGTNIFOQ-KWQFWETISA-N 1 2 236.319 1.037 20 0 BDADLO CO[C@@H](CCNc1cc(C)[nH+]cn1)C(F)(F)F ZINC000345041700 398272270 /nfs/dbraw/zinc/27/22/70/398272270.db2.gz WZCBYDSUWZPPRP-QMMMGPOBSA-N 1 2 249.236 1.586 20 0 BDADLO C[C@H]([NH2+]CC(C)(F)F)c1cnn(C)c1 ZINC000378860236 346848259 /nfs/dbraw/zinc/84/82/59/346848259.db2.gz ONENGIBGFWBREL-ZETCQYMHSA-N 1 2 203.236 1.726 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCCO1 ZINC000334666469 398272811 /nfs/dbraw/zinc/27/28/11/398272811.db2.gz REPJFDPSAGTJOK-JTQLQIEISA-N 1 2 249.314 1.727 20 0 BDADLO FCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000378871340 346851045 /nfs/dbraw/zinc/85/10/45/346851045.db2.gz OJRGYTLSQGNLKQ-SECBINFHSA-N 1 2 240.307 1.905 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCOCC1(C)C ZINC000179829405 538956875 /nfs/dbraw/zinc/95/68/75/538956875.db2.gz QXRWZVJEHLWMRN-UHFFFAOYSA-N 1 2 237.347 1.593 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCOCC1(C)C ZINC000179829405 538956877 /nfs/dbraw/zinc/95/68/77/538956877.db2.gz QXRWZVJEHLWMRN-UHFFFAOYSA-N 1 2 237.347 1.593 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000180927678 538959152 /nfs/dbraw/zinc/95/91/52/538959152.db2.gz YGQUTFWOKMOWIS-PSASIEDQSA-N 1 2 248.330 1.132 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000600152367 342691476 /nfs/dbraw/zinc/69/14/76/342691476.db2.gz WZTVULLPEXGZOL-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000600152367 342691477 /nfs/dbraw/zinc/69/14/77/342691477.db2.gz WZTVULLPEXGZOL-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO CCCCN(C)c1[nH+]cnc2c1cnn2C ZINC000001641548 342706740 /nfs/dbraw/zinc/70/67/40/342706740.db2.gz SABSZMWAVMHQAL-UHFFFAOYSA-N 1 2 219.292 1.600 20 0 BDADLO CS[C@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583940135 342728791 /nfs/dbraw/zinc/72/87/91/342728791.db2.gz RDIPYJRRDDDZFE-MRVPVSSYSA-N 1 2 241.360 1.903 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ncoc1C1CC1 ZINC000583337375 342739444 /nfs/dbraw/zinc/73/94/44/342739444.db2.gz VPTQOAZCDKNSAB-UHFFFAOYSA-N 1 2 245.238 1.327 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC(CO)CC2)[nH+]1 ZINC000348743886 136237392 /nfs/dbraw/zinc/23/73/92/136237392.db2.gz QPBYMNXJQQRQAX-UHFFFAOYSA-N 1 2 246.314 1.475 20 0 BDADLO C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580629 342796253 /nfs/dbraw/zinc/79/62/53/342796253.db2.gz IGQDHXRRELHHAD-GMSGAONNSA-N 1 2 228.242 1.300 20 0 BDADLO C[C@](O)(C[C@H](O)C[N@@H+]1CCC=C(F)C1)C1CC1 ZINC000630041105 361908639 /nfs/dbraw/zinc/90/86/39/361908639.db2.gz DUBHEZCDVQFYNX-STQMWFEESA-N 1 2 243.322 1.458 20 0 BDADLO C[C@](O)(C[C@H](O)C[N@H+]1CCC=C(F)C1)C1CC1 ZINC000630041105 361908645 /nfs/dbraw/zinc/90/86/45/361908645.db2.gz DUBHEZCDVQFYNX-STQMWFEESA-N 1 2 243.322 1.458 20 0 BDADLO C/C=C/CNc1cc(NC/C=C/C)[nH+]cn1 ZINC000624656678 342810481 /nfs/dbraw/zinc/81/04/81/342810481.db2.gz YHDHYXLWQOSBJR-GGWOSOGESA-N 1 2 218.304 1.875 20 0 BDADLO CCC(F)(F)CNCc1c[nH+]cn1C ZINC000623679607 398290509 /nfs/dbraw/zinc/29/05/09/398290509.db2.gz BBMFYNDKYRROKW-UHFFFAOYSA-N 1 2 203.236 1.555 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000624667288 342814109 /nfs/dbraw/zinc/81/41/09/342814109.db2.gz KTUNOEJAABPTKW-WAAGHKOSSA-N 1 2 234.303 1.234 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624667288 342814110 /nfs/dbraw/zinc/81/41/10/342814110.db2.gz KTUNOEJAABPTKW-WAAGHKOSSA-N 1 2 234.303 1.234 20 0 BDADLO Cn1cc(-c2c[nH+]c3n2CCCC3)cn1 ZINC000630050936 361914733 /nfs/dbraw/zinc/91/47/33/361914733.db2.gz XVCIWCCLGLFBHV-UHFFFAOYSA-N 1 2 202.261 1.620 20 0 BDADLO Cc1nc(N[C@@H]2CO[C@H](C3CC3)C2)cc[nH+]1 ZINC000624674127 342817285 /nfs/dbraw/zinc/81/72/85/342817285.db2.gz VBLWCSOVDCVQRI-QWRGUYRKSA-N 1 2 219.288 1.764 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000624676277 342817780 /nfs/dbraw/zinc/81/77/80/342817780.db2.gz WQPNONKZIDSMRP-GHMZBOCLSA-N 1 2 249.314 1.773 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1ncnn1C ZINC000187050435 538975614 /nfs/dbraw/zinc/97/56/14/538975614.db2.gz KFTLWAORECEBPO-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO Cc1nnsc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000649494793 398292737 /nfs/dbraw/zinc/29/27/37/398292737.db2.gz YYXPUDLVTAEQDB-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnsc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000649494793 398292739 /nfs/dbraw/zinc/29/27/39/398292739.db2.gz YYXPUDLVTAEQDB-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO O=C1[C@@H](Nc2cccc[nH+]2)CCN1C1CCC1 ZINC000624779596 342828490 /nfs/dbraw/zinc/82/84/90/342828490.db2.gz QWGSLXNNVMYDEJ-NSHDSACASA-N 1 2 231.299 1.647 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000041979714 342830128 /nfs/dbraw/zinc/83/01/28/342830128.db2.gz XDWMZHRMHOPIBL-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)c(O)c1 ZINC000188911803 538979701 /nfs/dbraw/zinc/97/97/01/538979701.db2.gz JWODUTYJMSCJGF-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)c(O)c1 ZINC000188911803 538979702 /nfs/dbraw/zinc/97/97/02/538979702.db2.gz JWODUTYJMSCJGF-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOCC(F)F ZINC000188744473 538979758 /nfs/dbraw/zinc/97/97/58/538979758.db2.gz PMOSCMRWLVMVSL-SSDOTTSWSA-N 1 2 233.262 1.650 20 0 BDADLO Fc1c[nH+]ccc1NC[C@@H]1CCCS1 ZINC000606281709 488181882 /nfs/dbraw/zinc/18/18/82/488181882.db2.gz RAJBQGMDZCZSOR-QMMMGPOBSA-N 1 2 212.293 1.950 20 0 BDADLO Cc1cnn(C)c1C[NH2+]C(C)(C)C(F)F ZINC000379961414 538982804 /nfs/dbraw/zinc/98/28/04/538982804.db2.gz WZJYOZYNQDRGEB-UHFFFAOYSA-N 1 2 217.263 1.862 20 0 BDADLO C/C=C/CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000624829463 342833322 /nfs/dbraw/zinc/83/33/22/342833322.db2.gz YWJVIRMJBVYTHW-UFFNRZRYSA-N 1 2 248.330 1.495 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000193339180 539004518 /nfs/dbraw/zinc/00/45/18/539004518.db2.gz VRXCQUVCXRRTGI-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000193339180 539004520 /nfs/dbraw/zinc/00/45/20/539004520.db2.gz VRXCQUVCXRRTGI-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO COc1cc[nH+]cc1NC(=O)COCC(F)F ZINC000624950448 342838906 /nfs/dbraw/zinc/83/89/06/342838906.db2.gz HAMHOSUBJKHJBA-UHFFFAOYSA-N 1 2 246.213 1.310 20 0 BDADLO Cc1cccc(CCNc2cccnn2)[nH+]1 ZINC000381400009 538999998 /nfs/dbraw/zinc/99/99/98/538999998.db2.gz QRTWBLKCJLUOQD-UHFFFAOYSA-N 1 2 214.272 1.257 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC1=CCCOC1 ZINC000390482799 539022696 /nfs/dbraw/zinc/02/26/96/539022696.db2.gz NKQAKWBGGZIBDN-VIFPVBQESA-N 1 2 221.304 1.715 20 0 BDADLO CCc1cc(N[C@@H](C)c2ncn(C)n2)nc[nH+]1 ZINC000392001497 539027723 /nfs/dbraw/zinc/02/77/23/539027723.db2.gz ZKFBRHQTDXHBBH-QMMMGPOBSA-N 1 2 232.291 1.341 20 0 BDADLO Cn1cc(C[NH2+]Cc2cnn(C(C)(C)C)c2)nn1 ZINC000389821157 539017373 /nfs/dbraw/zinc/01/73/73/539017373.db2.gz DMBICTOJGAZEEI-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)C[C@H]1F ZINC000335637200 136243146 /nfs/dbraw/zinc/24/31/46/136243146.db2.gz XIPWANWIVYVZJL-KCJUWKMLSA-N 1 2 225.267 1.127 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000335645699 136243534 /nfs/dbraw/zinc/24/35/34/136243534.db2.gz IICXZTGWNTWNHG-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000335645699 136243535 /nfs/dbraw/zinc/24/35/35/136243535.db2.gz IICXZTGWNTWNHG-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO CC(=O)Nc1cccc(C[NH2+]CC(F)F)c1 ZINC000631133803 342858979 /nfs/dbraw/zinc/85/89/79/342858979.db2.gz GVDMYYVSKKMMIF-UHFFFAOYSA-N 1 2 228.242 2.000 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(F)C1 ZINC000584003609 342900115 /nfs/dbraw/zinc/90/01/15/342900115.db2.gz KGOYUTBARNDTOW-MRVPVSSYSA-N 1 2 243.257 1.456 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(F)C1 ZINC000584003609 342900116 /nfs/dbraw/zinc/90/01/16/342900116.db2.gz KGOYUTBARNDTOW-MRVPVSSYSA-N 1 2 243.257 1.456 20 0 BDADLO Cc1nnc2n1CC[N@@H+](Cc1ccncc1C)C2 ZINC000625147959 342894306 /nfs/dbraw/zinc/89/43/06/342894306.db2.gz UGNFEBIAGJEJJQ-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nnc2n1CC[N@H+](Cc1ccncc1C)C2 ZINC000625147959 342894307 /nfs/dbraw/zinc/89/43/07/342894307.db2.gz UGNFEBIAGJEJJQ-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000639397245 398311775 /nfs/dbraw/zinc/31/17/75/398311775.db2.gz JIUALZJXEFYPGB-QMMMGPOBSA-N 1 2 247.747 1.843 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1ccc(Cl)o1 ZINC000639397245 398311777 /nfs/dbraw/zinc/31/17/77/398311777.db2.gz JIUALZJXEFYPGB-QMMMGPOBSA-N 1 2 247.747 1.843 20 0 BDADLO Cc1nc(NCC[C@H](O)C(C)C)cc[nH+]1 ZINC000078341889 342910795 /nfs/dbraw/zinc/91/07/95/342910795.db2.gz PNVQDPXLOPKCQD-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO COCCc1nc(C[N@H+](C)C2CCC2)no1 ZINC000351515376 136246444 /nfs/dbraw/zinc/24/64/44/136246444.db2.gz RSAKAECVRMFCOF-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO COCCc1nc(C[N@@H+](C)C2CCC2)no1 ZINC000351515376 136246445 /nfs/dbraw/zinc/24/64/45/136246445.db2.gz RSAKAECVRMFCOF-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CC[C@]1(C)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136301 342927370 /nfs/dbraw/zinc/92/73/70/342927370.db2.gz SVTBVHVOOUEEIS-GFCCVEGCSA-N 1 2 235.335 1.609 20 0 BDADLO CC[C@]1(C)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136301 342927372 /nfs/dbraw/zinc/92/73/72/342927372.db2.gz SVTBVHVOOUEEIS-GFCCVEGCSA-N 1 2 235.335 1.609 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@]2(C)CO)no1 ZINC000351626648 136248480 /nfs/dbraw/zinc/24/84/80/136248480.db2.gz GUUREEHNESJDEE-PTOFAABTSA-N 1 2 239.319 1.580 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(C(=O)OC)CC1 ZINC000496382935 529437260 /nfs/dbraw/zinc/43/72/60/529437260.db2.gz DZEZWKUESWGVML-VIFPVBQESA-N 1 2 218.272 1.119 20 0 BDADLO CC[C@@H]1CCCC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000383826396 342930998 /nfs/dbraw/zinc/93/09/98/342930998.db2.gz RUBDFCCCLKSSHA-ZJUUUORDSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@@H]1CCCC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000383826396 342930999 /nfs/dbraw/zinc/93/09/99/342930999.db2.gz RUBDFCCCLKSSHA-ZJUUUORDSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@]2(C)CO)no1 ZINC000351626646 136248771 /nfs/dbraw/zinc/24/87/71/136248771.db2.gz GUUREEHNESJDEE-MKPLZMMCSA-N 1 2 239.319 1.580 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000602643368 349655147 /nfs/dbraw/zinc/65/51/47/349655147.db2.gz FJQJFAZNIVAZKH-BBBLOLIVSA-N 1 2 215.293 1.095 20 0 BDADLO O=C([C@H]1CCOC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120156091 398337019 /nfs/dbraw/zinc/33/70/19/398337019.db2.gz SRKIMRHSKRLXGD-QWRGUYRKSA-N 1 2 249.314 1.500 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]CC(F)F)[nH]1 ZINC000602655413 349661781 /nfs/dbraw/zinc/66/17/81/349661781.db2.gz OPIVWPBPJSMUQC-UHFFFAOYSA-N 1 2 232.230 1.546 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCCO ZINC000626017421 398333074 /nfs/dbraw/zinc/33/30/74/398333074.db2.gz LIWMYDOCMNJFPA-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCCO ZINC000626017421 398333075 /nfs/dbraw/zinc/33/30/75/398333075.db2.gz LIWMYDOCMNJFPA-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1c[nH]nc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643354358 398342976 /nfs/dbraw/zinc/34/29/76/398342976.db2.gz YNBQOIWSUWKAIT-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1nc(N2CCC(CCO)CC2)cc[nH+]1 ZINC000400933295 323024170 /nfs/dbraw/zinc/02/41/70/323024170.db2.gz JSHNWXQSXRJSCK-UHFFFAOYSA-N 1 2 221.304 1.384 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)[C@@H](C)OC ZINC000602695268 349691849 /nfs/dbraw/zinc/69/18/49/349691849.db2.gz NGWYQCPKGNKLER-NGZCFLSTSA-N 1 2 229.320 1.341 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@H](CC1CC1)C(=O)OC)OC ZINC000602697515 349693147 /nfs/dbraw/zinc/69/31/47/349693147.db2.gz VJTXSBCAGBVMCI-AAEUAGOBSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@](C)(C[NH2+][C@@H](CC1CC1)C(=O)OC)OC ZINC000602697517 349693348 /nfs/dbraw/zinc/69/33/48/349693348.db2.gz VJTXSBCAGBVMCI-WCQYABFASA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@]1(C)COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493501113 529532868 /nfs/dbraw/zinc/53/28/68/529532868.db2.gz UFJQBWKDDYPHLQ-ZFDPJTLLSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@@]1(C)COCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493081391 529532980 /nfs/dbraw/zinc/53/29/80/529532980.db2.gz GYKOMCXGGPOZCT-IHVVCDCBSA-N 1 2 249.314 1.450 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@H](C)OC ZINC000602701437 349696845 /nfs/dbraw/zinc/69/68/45/349696845.db2.gz SKRUWKKNKLQMTQ-VWYCJHECSA-N 1 2 245.363 1.977 20 0 BDADLO O=C([C@H]1CC12CCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627369303 346905731 /nfs/dbraw/zinc/90/57/31/346905731.db2.gz QGEQJIRYUQLADH-SECBINFHSA-N 1 2 231.299 1.485 20 0 BDADLO O=C([C@H]1CC12CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627369303 346905738 /nfs/dbraw/zinc/90/57/38/346905738.db2.gz QGEQJIRYUQLADH-SECBINFHSA-N 1 2 231.299 1.485 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cs1 ZINC000351825703 136255844 /nfs/dbraw/zinc/25/58/44/136255844.db2.gz JHIJTIUBEFRJLP-SCZZXKLOSA-N 1 2 242.344 1.102 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cs1 ZINC000351825703 136255845 /nfs/dbraw/zinc/25/58/45/136255845.db2.gz JHIJTIUBEFRJLP-SCZZXKLOSA-N 1 2 242.344 1.102 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H]1C1CC1 ZINC000493267860 529552826 /nfs/dbraw/zinc/55/28/26/529552826.db2.gz OSMVNUAPZGWTHH-FYJFLYSWSA-N 1 2 245.326 1.927 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1C[C@H](C)[C@@H]1C ZINC000493304739 529558103 /nfs/dbraw/zinc/55/81/03/529558103.db2.gz RGCZDXLODMPEJF-OBOPVNRVSA-N 1 2 233.315 1.783 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cncnc1 ZINC000492570770 529560978 /nfs/dbraw/zinc/56/09/78/529560978.db2.gz XOTGJFIHLQGHNA-ARJAWSKDSA-N 1 2 243.270 1.345 20 0 BDADLO CCc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000562685646 323027655 /nfs/dbraw/zinc/02/76/55/323027655.db2.gz VTLWQOGWYFDIHX-WPRPVWTQSA-N 1 2 224.329 1.927 20 0 BDADLO CCc1cnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000562685646 323027656 /nfs/dbraw/zinc/02/76/56/323027656.db2.gz VTLWQOGWYFDIHX-WPRPVWTQSA-N 1 2 224.329 1.927 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000335901289 136259325 /nfs/dbraw/zinc/25/93/25/136259325.db2.gz QJWKRBZSGYZNAB-MWLCHTKSSA-N 1 2 234.299 1.429 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]Cc2ncc[nH]2)[nH]1 ZINC000602731128 349717277 /nfs/dbraw/zinc/71/72/77/349717277.db2.gz KKJZMRHECXDZRV-UHFFFAOYSA-N 1 2 248.286 1.204 20 0 BDADLO C[C@@H]1CCC[C@H](n2[nH]c3c(c2=O)C[NH2+]CC3)C1 ZINC000634599549 342988436 /nfs/dbraw/zinc/98/84/36/342988436.db2.gz KYTOGGRZBIZPSM-VWYCJHECSA-N 1 2 235.331 1.373 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000602801737 349742026 /nfs/dbraw/zinc/74/20/26/349742026.db2.gz NCTOXQZZWWTZNN-GFCCVEGCSA-N 1 2 225.336 1.146 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000602801737 349742028 /nfs/dbraw/zinc/74/20/28/349742028.db2.gz NCTOXQZZWWTZNN-GFCCVEGCSA-N 1 2 225.336 1.146 20 0 BDADLO COC(=O)C[N@H+](C[C@H]1CC(C)(C)CO1)C1CC1 ZINC000602780416 349746440 /nfs/dbraw/zinc/74/64/40/349746440.db2.gz PNBMDPRVQZUCRY-LLVKDONJSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)C[N@@H+](C[C@H]1CC(C)(C)CO1)C1CC1 ZINC000602780416 349746441 /nfs/dbraw/zinc/74/64/41/349746441.db2.gz PNBMDPRVQZUCRY-LLVKDONJSA-N 1 2 241.331 1.439 20 0 BDADLO O=c1c2c([nH]n1Cc1ccccc1F)CC[NH2+]C2 ZINC000634607960 343003735 /nfs/dbraw/zinc/00/37/35/343003735.db2.gz MPJWQCRZBNQNMN-SNVBAGLBSA-N 1 2 247.273 1.133 20 0 BDADLO C[C@H]1C[N@H+](CCSc2cnccn2)CCO1 ZINC000518335997 259339650 /nfs/dbraw/zinc/33/96/50/259339650.db2.gz FRKQCIPSPWWRBI-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1C[N@@H+](CCSc2cnccn2)CCO1 ZINC000518335997 259339651 /nfs/dbraw/zinc/33/96/51/259339651.db2.gz FRKQCIPSPWWRBI-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1cnccc1C ZINC000602822617 349763221 /nfs/dbraw/zinc/76/32/21/349763221.db2.gz WKBSEAJGIMCBRT-UHFFFAOYSA-N 1 2 232.331 1.625 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1cnccc1C ZINC000602822617 349763223 /nfs/dbraw/zinc/76/32/23/349763223.db2.gz WKBSEAJGIMCBRT-UHFFFAOYSA-N 1 2 232.331 1.625 20 0 BDADLO CC(C)(C)CCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634620799 343019689 /nfs/dbraw/zinc/01/96/89/343019689.db2.gz PYHBFHXWZFXMQX-VIFPVBQESA-N 1 2 223.320 1.230 20 0 BDADLO Cc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1F ZINC000634614438 343012147 /nfs/dbraw/zinc/01/21/47/343012147.db2.gz CJJIBWKQRPEPDL-SNVBAGLBSA-N 1 2 247.273 1.446 20 0 BDADLO CCc1cnc(CNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000492811379 529646914 /nfs/dbraw/zinc/64/69/14/529646914.db2.gz KNMOHMBLFPANEK-ARJAWSKDSA-N 1 2 246.270 1.290 20 0 BDADLO Cc1nc(NCC2(C)CCCCC2)nc(N)[nH+]1 ZINC000383482333 362026240 /nfs/dbraw/zinc/02/62/40/362026240.db2.gz AWTAKNFLXFPIMT-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO Cc1nc(N)nc(NCC2(C)CCCCC2)[nH+]1 ZINC000383482333 362026243 /nfs/dbraw/zinc/02/62/43/362026243.db2.gz AWTAKNFLXFPIMT-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)CC1CCC1 ZINC000634534505 362029812 /nfs/dbraw/zinc/02/98/12/362029812.db2.gz WFSXRQLKMAARMZ-UHFFFAOYSA-N 1 2 228.317 1.135 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(C3CCC3)no2)C1 ZINC000634666347 343089684 /nfs/dbraw/zinc/08/96/84/343089684.db2.gz VERAFNJIPZEGTF-VIFPVBQESA-N 1 2 223.276 1.340 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(C3CCC3)no2)C1 ZINC000634666347 343089686 /nfs/dbraw/zinc/08/96/86/343089686.db2.gz VERAFNJIPZEGTF-VIFPVBQESA-N 1 2 223.276 1.340 20 0 BDADLO CCCCc1cc(N[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000631374873 343107980 /nfs/dbraw/zinc/10/79/80/343107980.db2.gz CRMREDYHAZXTCX-XYPYZODXSA-N 1 2 221.304 1.754 20 0 BDADLO CCC(C)(C)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640954302 362098187 /nfs/dbraw/zinc/09/81/87/362098187.db2.gz XZVZSCOBWJSBOM-UHFFFAOYSA-N 1 2 233.319 1.748 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309962714 343114267 /nfs/dbraw/zinc/11/42/67/343114267.db2.gz MCAYKBUAVVFNMN-ZJUUUORDSA-N 1 2 219.288 1.943 20 0 BDADLO CCC[C@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640941804 362082957 /nfs/dbraw/zinc/08/29/57/362082957.db2.gz FYXZQXQFVVQCQK-GXSJLCMTSA-N 1 2 224.308 1.300 20 0 BDADLO CC[C@H](C)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640942655 362085666 /nfs/dbraw/zinc/08/56/66/362085666.db2.gz UHHGFYXUFRSINT-JTQLQIEISA-N 1 2 219.292 1.569 20 0 BDADLO COCC[N@H+](C)Cc1cn(CC2CCC2)nn1 ZINC000640947181 362093371 /nfs/dbraw/zinc/09/33/71/362093371.db2.gz IBZHFJSYTUUBPX-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO COCC[N@@H+](C)Cc1cn(CC2CCC2)nn1 ZINC000640947181 362093376 /nfs/dbraw/zinc/09/33/76/362093376.db2.gz IBZHFJSYTUUBPX-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO C[C@@H](NC(=O)N[C@H](C)C(F)F)c1[nH+]ccn1C ZINC000640998116 362110382 /nfs/dbraw/zinc/11/03/82/362110382.db2.gz ZMBBQQLYJDAUSS-RNFRBKRXSA-N 1 2 246.261 1.434 20 0 BDADLO CC[C@H]1C[N@H+](CCN(C#N)CC)[C@H](C)CO1 ZINC000602866028 349798234 /nfs/dbraw/zinc/79/82/34/349798234.db2.gz MONTYESDHBOPAY-NEPJUHHUSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@H]1C[N@@H+](CCN(C#N)CC)[C@H](C)CO1 ZINC000602866028 349798236 /nfs/dbraw/zinc/79/82/36/349798236.db2.gz MONTYESDHBOPAY-NEPJUHHUSA-N 1 2 225.336 1.289 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000130719154 343182325 /nfs/dbraw/zinc/18/23/25/343182325.db2.gz OGIJCYKPBRKBBB-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO Cc1c[nH]c(CN2CCC(F)(F)[C@H](CO)C2)[nH+]1 ZINC000628288819 346930131 /nfs/dbraw/zinc/93/01/31/346930131.db2.gz UKDUAXDWQDJXEQ-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO CCOCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580137 192356652 /nfs/dbraw/zinc/35/66/52/192356652.db2.gz VTBFXDABCXWWMV-UHFFFAOYSA-N 1 2 236.315 1.741 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCCSC1 ZINC000122171307 343158939 /nfs/dbraw/zinc/15/89/39/343158939.db2.gz LXBXTRKTJGOOIL-SSDOTTSWSA-N 1 2 240.332 1.375 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCCSC1 ZINC000122171307 343158941 /nfs/dbraw/zinc/15/89/41/343158941.db2.gz LXBXTRKTJGOOIL-SSDOTTSWSA-N 1 2 240.332 1.375 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2cccnc2)n1 ZINC000625269167 343167242 /nfs/dbraw/zinc/16/72/42/343167242.db2.gz OITZYQXNPQPEKU-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2cccnc2)n1 ZINC000625269167 343167243 /nfs/dbraw/zinc/16/72/43/343167243.db2.gz OITZYQXNPQPEKU-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCCS1)c1[nH]cc[nH+]1 ZINC000125355216 343172857 /nfs/dbraw/zinc/17/28/57/343172857.db2.gz JICRMDUEVQYHGV-BDAKNGLRSA-N 1 2 239.344 1.873 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCC1CC1 ZINC000157237410 343199760 /nfs/dbraw/zinc/19/97/60/343199760.db2.gz VDGUISQVPSBJKI-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCC1CC1 ZINC000157237410 343199761 /nfs/dbraw/zinc/19/97/61/343199761.db2.gz VDGUISQVPSBJKI-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO C[N@H+](CCOC1CCOCC1)Cc1ncc[nH]1 ZINC000625276724 343216268 /nfs/dbraw/zinc/21/62/68/343216268.db2.gz WDSGNJMKCGEWIU-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC1CCOCC1)Cc1ncc[nH]1 ZINC000625276724 343216271 /nfs/dbraw/zinc/21/62/71/343216271.db2.gz WDSGNJMKCGEWIU-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO CN(CC(=O)NCC(C)(C)C)Cc1[nH]cc[nH+]1 ZINC000625276439 343217012 /nfs/dbraw/zinc/21/70/12/343217012.db2.gz UBUIFQHMQPDGFW-UHFFFAOYSA-N 1 2 238.335 1.004 20 0 BDADLO CCOCC[N@H+](C)Cc1cnns1 ZINC000625281615 343219265 /nfs/dbraw/zinc/21/92/65/343219265.db2.gz IPZDVADUQXYJAW-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO CCOCC[N@@H+](C)Cc1cnns1 ZINC000625281615 343219268 /nfs/dbraw/zinc/21/92/68/343219268.db2.gz IPZDVADUQXYJAW-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000131875109 343186716 /nfs/dbraw/zinc/18/67/16/343186716.db2.gz OAFJSUSNOIOADW-IUCAKERBSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C)[C@@H](C)C1 ZINC000131875109 343186717 /nfs/dbraw/zinc/18/67/17/343186717.db2.gz OAFJSUSNOIOADW-IUCAKERBSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CC1CCC1 ZINC000134881443 343191720 /nfs/dbraw/zinc/19/17/20/343191720.db2.gz LGLUMFZWVUEBET-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CC1CCC1 ZINC000134881443 343191723 /nfs/dbraw/zinc/19/17/23/343191723.db2.gz LGLUMFZWVUEBET-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO C[N@H+](CCCCO)Cc1nnc(C2CC2)s1 ZINC000625365272 343259577 /nfs/dbraw/zinc/25/95/77/343259577.db2.gz GIXRUEAZAYCGPK-UHFFFAOYSA-N 1 2 241.360 1.620 20 0 BDADLO C[N@@H+](CCCCO)Cc1nnc(C2CC2)s1 ZINC000625365272 343259578 /nfs/dbraw/zinc/25/95/78/343259578.db2.gz GIXRUEAZAYCGPK-UHFFFAOYSA-N 1 2 241.360 1.620 20 0 BDADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)oc1C ZINC000121459956 343266474 /nfs/dbraw/zinc/26/64/74/343266474.db2.gz CNFPXEFNZZRRQR-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO CCC(=O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055231 362166659 /nfs/dbraw/zinc/16/66/59/362166659.db2.gz MOUFJRMZLDNFQP-UHFFFAOYSA-N 1 2 233.275 1.158 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1cc[nH]c1 ZINC000348773117 136298207 /nfs/dbraw/zinc/29/82/07/136298207.db2.gz VVGROPWIXPCNCF-UHFFFAOYSA-N 1 2 230.271 1.252 20 0 BDADLO CCN1CCN(c2cc[nH+]c(C(C)C)n2)CC1=O ZINC000347861437 136293257 /nfs/dbraw/zinc/29/32/57/136293257.db2.gz AEXJKIQVUDZHGD-UHFFFAOYSA-N 1 2 248.330 1.269 20 0 BDADLO CC[N@@H+](Cc1c(Cl)cnn1C)C[C@H](C)O ZINC000348713369 136293757 /nfs/dbraw/zinc/29/37/57/136293757.db2.gz KQUVOEMWVGHYGE-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[N@H+](Cc1c(Cl)cnn1C)C[C@H](C)O ZINC000348713369 136293758 /nfs/dbraw/zinc/29/37/58/136293758.db2.gz KQUVOEMWVGHYGE-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[C@H](C)CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000335615877 136295953 /nfs/dbraw/zinc/29/59/53/136295953.db2.gz XTSUAQYGNGHWKH-JTQLQIEISA-N 1 2 236.319 1.454 20 0 BDADLO COCc1cnc(C[N@H+](C)C[C@@H](C)OC)s1 ZINC000348835282 136301386 /nfs/dbraw/zinc/30/13/86/136301386.db2.gz SVHQOZAHRRJXGN-SECBINFHSA-N 1 2 244.360 1.756 20 0 BDADLO COCc1cnc(C[N@@H+](C)C[C@@H](C)OC)s1 ZINC000348835282 136301387 /nfs/dbraw/zinc/30/13/87/136301387.db2.gz SVHQOZAHRRJXGN-SECBINFHSA-N 1 2 244.360 1.756 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335676722 136318591 /nfs/dbraw/zinc/31/85/91/136318591.db2.gz XABRLYLGOMIICM-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)no1 ZINC000367065364 136309413 /nfs/dbraw/zinc/30/94/13/136309413.db2.gz FXROSDKOUWZPSD-GFCCVEGCSA-N 1 2 237.303 1.381 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@]3(C2)CCCOC3)no1 ZINC000367065364 136309414 /nfs/dbraw/zinc/30/94/14/136309414.db2.gz FXROSDKOUWZPSD-GFCCVEGCSA-N 1 2 237.303 1.381 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@](F)(CO)C2)n1C ZINC000349013472 136311542 /nfs/dbraw/zinc/31/15/42/136311542.db2.gz VKPKEWZRIQDOAM-GFCCVEGCSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1ccoc1C[NH+]1CC(n2ccnn2)C1 ZINC000335667551 136311913 /nfs/dbraw/zinc/31/19/13/136311913.db2.gz PGDAEEAPZYRVNL-UHFFFAOYSA-N 1 2 218.260 1.236 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000335664630 136316663 /nfs/dbraw/zinc/31/66/63/136316663.db2.gz VDHPUONFDKZWAH-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000335664630 136316664 /nfs/dbraw/zinc/31/66/64/136316664.db2.gz VDHPUONFDKZWAH-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000113743092 136321528 /nfs/dbraw/zinc/32/15/28/136321528.db2.gz WCLCNAATBVGUCJ-UHFFFAOYSA-N 1 2 214.228 1.617 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2cc[nH]n2)oc1C ZINC000041015496 343412300 /nfs/dbraw/zinc/41/23/00/343412300.db2.gz MFSZYNZGSUDOBL-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CCO)[nH+]1 ZINC000081002320 343415381 /nfs/dbraw/zinc/41/53/81/343415381.db2.gz XWKWAFGVSINXNS-ZETCQYMHSA-N 1 2 220.276 1.449 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000335679670 136320000 /nfs/dbraw/zinc/32/00/00/136320000.db2.gz NHNABTDGSCZTMT-CYBMUJFWSA-N 1 2 245.326 1.674 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CCC1 ZINC000041487759 343420965 /nfs/dbraw/zinc/42/09/65/343420965.db2.gz JCJHNLYFCAEQLD-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO C[NH+]1CCN(C(=O)[C@@H]2CCCCS2)CC1 ZINC000082303479 343438402 /nfs/dbraw/zinc/43/84/02/343438402.db2.gz WTBIVUOVWRTRJH-JTQLQIEISA-N 1 2 228.361 1.046 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000042464827 343439314 /nfs/dbraw/zinc/43/93/14/343439314.db2.gz LJRGCZZZZWMWBH-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000042464827 343439316 /nfs/dbraw/zinc/43/93/16/343439316.db2.gz LJRGCZZZZWMWBH-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccnc1 ZINC000042536207 343441986 /nfs/dbraw/zinc/44/19/86/343441986.db2.gz NNGDLIUQONABCW-JTQLQIEISA-N 1 2 230.271 1.097 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000335720441 136345777 /nfs/dbraw/zinc/34/57/77/136345777.db2.gz UPGHMEHWSXAEND-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1cc(Cn2cc(C3CC3)nn2)cc[nH+]1 ZINC000641088007 362210368 /nfs/dbraw/zinc/21/03/68/362210368.db2.gz CORYDUCFTJLWLW-UHFFFAOYSA-N 1 2 214.272 1.907 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000335739970 136351797 /nfs/dbraw/zinc/35/17/97/136351797.db2.gz RDWFMZJVKPVSRU-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000335739970 136351798 /nfs/dbraw/zinc/35/17/98/136351798.db2.gz RDWFMZJVKPVSRU-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1CCC1CCC1 ZINC000641092275 362218484 /nfs/dbraw/zinc/21/84/84/362218484.db2.gz ISFVCHMCIABIJR-GFCCVEGCSA-N 1 2 236.319 1.129 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NCC2CC2)o1 ZINC000042329538 343435127 /nfs/dbraw/zinc/43/51/27/343435127.db2.gz APTHINSAJMIDNS-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NCC2CC2)o1 ZINC000042329538 343435130 /nfs/dbraw/zinc/43/51/30/343435130.db2.gz APTHINSAJMIDNS-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367087761 136341365 /nfs/dbraw/zinc/34/13/65/136341365.db2.gz ZESCKVWDUWSUCA-RTXFEEFZSA-N 1 2 245.326 1.211 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000177750870 229514432 /nfs/dbraw/zinc/51/44/32/229514432.db2.gz OLPSZDWTMUQCBO-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000351003631 136366528 /nfs/dbraw/zinc/36/65/28/136366528.db2.gz UKZDUUUMPVXOAA-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000351003631 136366529 /nfs/dbraw/zinc/36/65/29/136366529.db2.gz UKZDUUUMPVXOAA-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)nn1C ZINC000351095460 136367739 /nfs/dbraw/zinc/36/77/39/136367739.db2.gz FCPSCSHZVVWWLU-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)nn1C ZINC000351095460 136367740 /nfs/dbraw/zinc/36/77/40/136367740.db2.gz FCPSCSHZVVWWLU-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1ccncc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351111872 136368006 /nfs/dbraw/zinc/36/80/06/136368006.db2.gz GDKIBKDAHOCPLT-UHTWSYAYSA-N 1 2 245.326 1.199 20 0 BDADLO CC(C)[C@H]1C[N@H+](CCCCCO)CCO1 ZINC000351106653 136368015 /nfs/dbraw/zinc/36/80/15/136368015.db2.gz XTGGIQARVPXJAR-GFCCVEGCSA-N 1 2 215.337 1.506 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CCCCCO)CCO1 ZINC000351106653 136368016 /nfs/dbraw/zinc/36/80/16/136368016.db2.gz XTGGIQARVPXJAR-GFCCVEGCSA-N 1 2 215.337 1.506 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000351582037 136369133 /nfs/dbraw/zinc/36/91/33/136369133.db2.gz PDERBJUBQGIYOX-QXFUBDJGSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000351582037 136369134 /nfs/dbraw/zinc/36/91/34/136369134.db2.gz PDERBJUBQGIYOX-QXFUBDJGSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000351605138 136370102 /nfs/dbraw/zinc/37/01/02/136370102.db2.gz NHRFDYNPDDXXCW-WEDXCCLWSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000351605138 136370103 /nfs/dbraw/zinc/37/01/03/136370103.db2.gz NHRFDYNPDDXXCW-WEDXCCLWSA-N 1 2 225.292 1.142 20 0 BDADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000616490320 343474014 /nfs/dbraw/zinc/47/40/14/343474014.db2.gz RRJIBOZLXHBJQW-SNVBAGLBSA-N 1 2 235.331 1.702 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cn1 ZINC000580548280 365750775 /nfs/dbraw/zinc/75/07/75/365750775.db2.gz MOKJJDFRWYVOFB-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cn1 ZINC000580548280 365750781 /nfs/dbraw/zinc/75/07/81/365750781.db2.gz MOKJJDFRWYVOFB-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO CCC(O)(CC)CNc1cc(C)[nH+]cn1 ZINC000082687470 343460556 /nfs/dbraw/zinc/46/05/56/343460556.db2.gz PAJJZEXRFXKZRX-UHFFFAOYSA-N 1 2 209.293 1.748 20 0 BDADLO CC(C)(CO)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000570055611 323048538 /nfs/dbraw/zinc/04/85/38/323048538.db2.gz BNUBVAUJKXICLY-UHFFFAOYSA-N 1 2 237.303 1.176 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCO)C1CC1 ZINC000082784297 343466930 /nfs/dbraw/zinc/46/69/30/343466930.db2.gz HYQPQEUNFHDKJD-SECBINFHSA-N 1 2 229.320 1.173 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCO)C1CC1 ZINC000082784297 343466933 /nfs/dbraw/zinc/46/69/33/343466933.db2.gz HYQPQEUNFHDKJD-SECBINFHSA-N 1 2 229.320 1.173 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ocnc1C1CC1 ZINC000575956194 343545939 /nfs/dbraw/zinc/54/59/39/343545939.db2.gz NLSSZLRNURICGZ-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1=CCCC1 ZINC000620002733 343547191 /nfs/dbraw/zinc/54/71/91/343547191.db2.gz GEZSJJROMILABE-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1 ZINC000046886925 343554344 /nfs/dbraw/zinc/55/43/44/343554344.db2.gz WITGHKHDFHQKOR-LBPRGKRZSA-N 1 2 248.326 1.137 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ccn1 ZINC000616752283 343560383 /nfs/dbraw/zinc/56/03/83/343560383.db2.gz SBVATYPQSKMRDG-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)ccn1 ZINC000616752283 343560384 /nfs/dbraw/zinc/56/03/84/343560384.db2.gz SBVATYPQSKMRDG-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC000048582570 343583978 /nfs/dbraw/zinc/58/39/78/343583978.db2.gz DFNFFKMUGYESOF-UHFFFAOYSA-N 1 2 238.287 1.368 20 0 BDADLO CC(C)[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000620042461 343593914 /nfs/dbraw/zinc/59/39/14/343593914.db2.gz RPPIMADQLSEGGK-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccccc1F ZINC000622745293 343605999 /nfs/dbraw/zinc/60/59/99/343605999.db2.gz GJGRYFDBHOXCFC-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccccc1F ZINC000622745293 343606000 /nfs/dbraw/zinc/60/60/00/343606000.db2.gz GJGRYFDBHOXCFC-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO c1[nH+]c2ccccn2c1CNc1cccnn1 ZINC000191837081 537795297 /nfs/dbraw/zinc/79/52/97/537795297.db2.gz PNDSDUYZGJIWAQ-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO Cc1cc(N2CCCC2)ccc1[NH2+]CCC(N)=O ZINC000577055505 365796551 /nfs/dbraw/zinc/79/65/51/365796551.db2.gz PVPIARLHABLJIT-UHFFFAOYSA-N 1 2 247.342 1.883 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccccc1F ZINC000083970407 343692012 /nfs/dbraw/zinc/69/20/12/343692012.db2.gz OFWROGCILIKMTN-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]CCSC)no1 ZINC000309041012 346955733 /nfs/dbraw/zinc/95/57/33/346955733.db2.gz LFVAVEHENKWAQL-UHFFFAOYSA-N 1 2 229.349 1.820 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCS[C@H]1C)C1CC1 ZINC000380176595 343686861 /nfs/dbraw/zinc/68/68/61/343686861.db2.gz KASLNEKXVLPFAA-FXBDTBDDSA-N 1 2 229.345 1.422 20 0 BDADLO COC(=O)[C@@H](NCc1[nH+]ccn1C)C(C)(C)C ZINC000119351296 343720868 /nfs/dbraw/zinc/72/08/68/343720868.db2.gz KIYFCPMXIXEBIY-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO CC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000063012988 343747535 /nfs/dbraw/zinc/74/75/35/343747535.db2.gz DEHQPFNVYFBPGP-UHFFFAOYSA-N 1 2 205.257 1.470 20 0 BDADLO CC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000063012988 343747536 /nfs/dbraw/zinc/74/75/36/343747536.db2.gz DEHQPFNVYFBPGP-UHFFFAOYSA-N 1 2 205.257 1.470 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3cnns3)C2)c1 ZINC000625445076 343761942 /nfs/dbraw/zinc/76/19/42/343761942.db2.gz RZMTZWZHIJQFFL-VIFPVBQESA-N 1 2 235.316 1.182 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3cnns3)C2)c1 ZINC000625445076 343761944 /nfs/dbraw/zinc/76/19/44/343761944.db2.gz RZMTZWZHIJQFFL-VIFPVBQESA-N 1 2 235.316 1.182 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000576877686 343762597 /nfs/dbraw/zinc/76/25/97/343762597.db2.gz GSLYFJYBJNAMTA-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000528472218 262950636 /nfs/dbraw/zinc/95/06/36/262950636.db2.gz BMEXUBFKWBOEBY-LIRYUQTQSA-N 1 2 235.780 1.829 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000528472218 262950637 /nfs/dbraw/zinc/95/06/37/262950637.db2.gz BMEXUBFKWBOEBY-LIRYUQTQSA-N 1 2 235.780 1.829 20 0 BDADLO CN(Cc1cncs1)Cc1[nH]cc[nH+]1 ZINC000683889133 488237660 /nfs/dbraw/zinc/23/76/60/488237660.db2.gz MTQWVAOVWSSJLH-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CCO[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000625489122 343885056 /nfs/dbraw/zinc/88/50/56/343885056.db2.gz LZLSGQNPAVGSPV-SNVBAGLBSA-N 1 2 225.292 1.087 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000621724589 343872029 /nfs/dbraw/zinc/87/20/29/343872029.db2.gz NKVRYXBVYUMCPI-ZMLRMANQSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000621724589 343872030 /nfs/dbraw/zinc/87/20/30/343872030.db2.gz NKVRYXBVYUMCPI-ZMLRMANQSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cc(NC(=O)COCC(F)F)cc[nH+]1 ZINC000625512063 343914229 /nfs/dbraw/zinc/91/42/29/343914229.db2.gz BTDMOCVDPNNHED-UHFFFAOYSA-N 1 2 230.214 1.032 20 0 BDADLO C[C@@]12COC[C@H]1C[N@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704999 537837198 /nfs/dbraw/zinc/83/71/98/537837198.db2.gz ZDNYVSJLQJXOIF-ZWNOBZJWSA-N 1 2 249.314 1.415 20 0 BDADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704999 537837210 /nfs/dbraw/zinc/83/72/10/537837210.db2.gz ZDNYVSJLQJXOIF-ZWNOBZJWSA-N 1 2 249.314 1.415 20 0 BDADLO Cc1cc(CN[C@@H]2C[C@H](C)n3cc[nH+]c32)no1 ZINC000379064404 347019407 /nfs/dbraw/zinc/01/94/07/347019407.db2.gz UQJQRLCJNYPCDJ-GZMMTYOYSA-N 1 2 232.287 1.975 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(C)o1 ZINC000628119838 343968114 /nfs/dbraw/zinc/96/81/14/343968114.db2.gz MLKKIFMZZIBXRP-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnc(C)o1 ZINC000628119838 343968116 /nfs/dbraw/zinc/96/81/16/343968116.db2.gz MLKKIFMZZIBXRP-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC2(C)COC2)s1 ZINC000625792105 344075911 /nfs/dbraw/zinc/07/59/11/344075911.db2.gz SADSTRORXTYNOU-QMMMGPOBSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC2(C)COC2)s1 ZINC000625792105 344075913 /nfs/dbraw/zinc/07/59/13/344075913.db2.gz SADSTRORXTYNOU-QMMMGPOBSA-N 1 2 241.360 1.876 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C12CC(C1)C2 ZINC000625717201 344054600 /nfs/dbraw/zinc/05/46/00/344054600.db2.gz UYSDLBYLQQSFLF-UHFFFAOYSA-N 1 2 245.326 1.800 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@H]1C)n1cc[nH+]c1 ZINC000641246755 362316919 /nfs/dbraw/zinc/31/69/19/362316919.db2.gz IYPBJSHXAONGBQ-UWVGGRQHSA-N 1 2 207.277 1.455 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625725678 344057169 /nfs/dbraw/zinc/05/71/69/344057169.db2.gz ROCGETHKQVIQRW-SECBINFHSA-N 1 2 246.310 1.375 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625725678 344057171 /nfs/dbraw/zinc/05/71/71/344057171.db2.gz ROCGETHKQVIQRW-SECBINFHSA-N 1 2 246.310 1.375 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCCO2)c1 ZINC000641249362 362324258 /nfs/dbraw/zinc/32/42/58/362324258.db2.gz JSUURQDKWXOUAK-SNVBAGLBSA-N 1 2 208.261 1.165 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625773464 344070134 /nfs/dbraw/zinc/07/01/34/344070134.db2.gz WOHIUMITYAXSDR-VIFPVBQESA-N 1 2 244.289 1.997 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCCC(F)(F)CC1 ZINC000625773464 344070136 /nfs/dbraw/zinc/07/01/36/344070136.db2.gz WOHIUMITYAXSDR-VIFPVBQESA-N 1 2 244.289 1.997 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000641241402 362301435 /nfs/dbraw/zinc/30/14/35/362301435.db2.gz CALIHTLLLLVAOU-BDAKNGLRSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000641241402 362301439 /nfs/dbraw/zinc/30/14/39/362301439.db2.gz CALIHTLLLLVAOU-BDAKNGLRSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000641241937 362302393 /nfs/dbraw/zinc/30/23/93/362302393.db2.gz KWWRZBLHRIUHNN-ZJUUUORDSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ncc[nH]1 ZINC000336750834 537839785 /nfs/dbraw/zinc/83/97/85/537839785.db2.gz UYWSQGQLSGIWLW-WPRPVWTQSA-N 1 2 237.328 1.855 20 0 BDADLO Cc1cncnc1N(C)Cc1[nH+]ccn1C ZINC000641265159 362338773 /nfs/dbraw/zinc/33/87/73/362338773.db2.gz IOJNJJCZFPIFCB-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(CO)ccn1 ZINC000641288422 362345626 /nfs/dbraw/zinc/34/56/26/362345626.db2.gz SVEQNOCKEWTNJK-JTQLQIEISA-N 1 2 232.287 1.271 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2nccs2)CCO1 ZINC000634734920 344115294 /nfs/dbraw/zinc/11/52/94/344115294.db2.gz RSHCAIUBPSSIPB-MRVPVSSYSA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2nccs2)CCO1 ZINC000634734920 344115296 /nfs/dbraw/zinc/11/52/96/344115296.db2.gz RSHCAIUBPSSIPB-MRVPVSSYSA-N 1 2 248.298 1.999 20 0 BDADLO C[C@@H](CNc1cc(CO)cc[nH+]1)Cn1cccn1 ZINC000641297166 362349510 /nfs/dbraw/zinc/34/95/10/362349510.db2.gz AWMFLTNEKZYBEE-NSHDSACASA-N 1 2 246.314 1.519 20 0 BDADLO CCC[C@@H]([NH2+]CCSC)C(=O)OCC ZINC000097988055 344077416 /nfs/dbraw/zinc/07/74/16/344077416.db2.gz FJYQSTODRNWCOY-SECBINFHSA-N 1 2 219.350 1.671 20 0 BDADLO C[N@H+](Cc1csnn1)CC1(C)COC1 ZINC000625790538 344078057 /nfs/dbraw/zinc/07/80/57/344078057.db2.gz CXTWCEHOTXRBBY-UHFFFAOYSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@@H+](Cc1csnn1)CC1(C)COC1 ZINC000625790538 344078059 /nfs/dbraw/zinc/07/80/59/344078059.db2.gz CXTWCEHOTXRBBY-UHFFFAOYSA-N 1 2 213.306 1.006 20 0 BDADLO Cc1cncnc1NCCCNc1cccc[nH+]1 ZINC000641297988 362352718 /nfs/dbraw/zinc/35/27/18/362352718.db2.gz QVJSPGZNLAWVQY-UHFFFAOYSA-N 1 2 243.314 1.516 20 0 BDADLO CCOCCCCNc1cc(CO)cc[nH+]1 ZINC000641300981 362352910 /nfs/dbraw/zinc/35/29/10/362352910.db2.gz BYHQYDLPWIVPSU-UHFFFAOYSA-N 1 2 224.304 1.224 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641304395 362353677 /nfs/dbraw/zinc/35/36/77/362353677.db2.gz XYUYOWUPBMZHHK-VIFPVBQESA-N 1 2 210.252 1.836 20 0 BDADLO COCCc1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625837900 344090702 /nfs/dbraw/zinc/09/07/02/344090702.db2.gz PTQAHGTUGGLPFS-UHFFFAOYSA-N 1 2 237.303 1.385 20 0 BDADLO Cc1nnc(C[NH+](C2CC2)C2CC2)s1 ZINC000625843053 344094529 /nfs/dbraw/zinc/09/45/29/344094529.db2.gz PPTCCNKCPMWDPF-UHFFFAOYSA-N 1 2 209.318 1.973 20 0 BDADLO Cn1c(Cl)c[nH+]c1Cn1ccsc1=O ZINC000157910362 344102130 /nfs/dbraw/zinc/10/21/30/344102130.db2.gz IURFCQHUHXCCAU-UHFFFAOYSA-N 1 2 229.692 1.345 20 0 BDADLO CN(C)c1ccc(NCc2cc[nH]n2)[nH+]c1 ZINC000124574980 344126632 /nfs/dbraw/zinc/12/66/32/344126632.db2.gz GERRMUXENQAQRN-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO CC1(C)CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000080633261 344131370 /nfs/dbraw/zinc/13/13/70/344131370.db2.gz GCOWMFAKNQBOPK-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO CC[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CCO1 ZINC000628129054 344157444 /nfs/dbraw/zinc/15/74/44/344157444.db2.gz JTNMRDSVRHYUCZ-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1nncn1C ZINC000195514041 344207751 /nfs/dbraw/zinc/20/77/51/344207751.db2.gz DAHRJQIGEFMRFY-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1nncn1C ZINC000195514041 344207752 /nfs/dbraw/zinc/20/77/52/344207752.db2.gz DAHRJQIGEFMRFY-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc(N(C)C)s1 ZINC000091814938 344285080 /nfs/dbraw/zinc/28/50/80/344285080.db2.gz IUKWRWHPLVUJDE-SECBINFHSA-N 1 2 241.360 1.430 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc(N(C)C)s1 ZINC000091814938 344285082 /nfs/dbraw/zinc/28/50/82/344285082.db2.gz IUKWRWHPLVUJDE-SECBINFHSA-N 1 2 241.360 1.430 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OCC ZINC000600605418 344339289 /nfs/dbraw/zinc/33/92/89/344339289.db2.gz NQYZLEPZZWGIOZ-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](CC)C(=O)OC)OCC ZINC000600605260 344339298 /nfs/dbraw/zinc/33/92/98/344339298.db2.gz MEVCQTPBWLSFOG-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO CC(C)[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641371206 362380254 /nfs/dbraw/zinc/38/02/54/362380254.db2.gz QHNKTKMDZCDAKI-LBPRGKRZSA-N 1 2 224.304 1.393 20 0 BDADLO C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1[nH+]ccn1C ZINC000620603680 344354158 /nfs/dbraw/zinc/35/41/58/344354158.db2.gz MLQFQQLPIPMKJC-ZNSHCXBVSA-N 1 2 233.315 1.643 20 0 BDADLO C[C@H](NC(=O)CCCF)c1[nH+]ccn1C ZINC000620607831 344358288 /nfs/dbraw/zinc/35/82/88/344358288.db2.gz JAUDVCBYWDUHMW-QMMMGPOBSA-N 1 2 213.256 1.347 20 0 BDADLO O[C@H](CCNc1cc[nH+]cc1F)C(F)(F)F ZINC000641373204 362381484 /nfs/dbraw/zinc/38/14/84/362381484.db2.gz UOZQTVMKTCMYEE-MRVPVSSYSA-N 1 2 238.184 1.368 20 0 BDADLO CC(C)(C)C[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641384539 362385967 /nfs/dbraw/zinc/38/59/67/362385967.db2.gz YPWAKZJCRQJGQM-NSHDSACASA-N 1 2 238.331 1.783 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC(C)C ZINC000385216875 344377339 /nfs/dbraw/zinc/37/73/39/344377339.db2.gz QIJRGBVYHJOYME-UHFFFAOYSA-N 1 2 210.281 1.111 20 0 BDADLO C[C@H](O)CC(C)(C)CNc1cc[nH+]cc1F ZINC000641394939 362389965 /nfs/dbraw/zinc/38/99/65/362389965.db2.gz OENHUNYNITYARI-VIFPVBQESA-N 1 2 226.295 1.852 20 0 BDADLO CCc1cncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000584301421 344438138 /nfs/dbraw/zinc/43/81/38/344438138.db2.gz TVGGKYANMBCCMC-SECBINFHSA-N 1 2 244.298 1.858 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1C ZINC000042513858 344443595 /nfs/dbraw/zinc/44/35/95/344443595.db2.gz FKGNNCWPGMILOZ-JTQLQIEISA-N 1 2 246.314 1.349 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCC[C@@H](O)C2)c1 ZINC000641392183 362391036 /nfs/dbraw/zinc/39/10/36/362391036.db2.gz JIDXAUFSYFJMFX-CMPLNLGQSA-N 1 2 236.315 1.537 20 0 BDADLO CC1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000622239239 344465263 /nfs/dbraw/zinc/46/52/63/344465263.db2.gz UIPACTMGLQISIT-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCC[C@H]2O)c1 ZINC000641403579 362396608 /nfs/dbraw/zinc/39/66/08/362396608.db2.gz OPNTYRZPJKQOLY-WDEREUQCSA-N 1 2 222.288 1.147 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)[C@H]1CCOC1 ZINC000641399048 362393306 /nfs/dbraw/zinc/39/33/06/362393306.db2.gz YCYOKLMGXRQPCC-BDAKNGLRSA-N 1 2 210.252 1.480 20 0 BDADLO Cc1nc(N[C@@H](C)CC(C)(C)C)nc(N)[nH+]1 ZINC000395264701 362393502 /nfs/dbraw/zinc/39/35/02/362393502.db2.gz XWMJGXXEFSVQSY-ZETCQYMHSA-N 1 2 223.324 1.251 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)CC(C)(C)C)[nH+]1 ZINC000395264701 362393509 /nfs/dbraw/zinc/39/35/09/362393509.db2.gz XWMJGXXEFSVQSY-ZETCQYMHSA-N 1 2 223.324 1.251 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000381162046 344481428 /nfs/dbraw/zinc/48/14/28/344481428.db2.gz RPNCRCKDNLTSDP-DTWKUNHWSA-N 1 2 233.258 1.715 20 0 BDADLO CC(C)N1CC[C@H](Nc2cc[nH+]cc2F)C1=O ZINC000641400361 362395302 /nfs/dbraw/zinc/39/53/02/362395302.db2.gz TZWDXVCLBPTYJP-NSHDSACASA-N 1 2 237.278 1.064 20 0 BDADLO CC[C@@H](C[C@@H](C)CO)Nc1cc(CO)cc[nH+]1 ZINC000641410374 362401064 /nfs/dbraw/zinc/40/10/64/362401064.db2.gz SGWPLEVCXCXEJN-PWSUYJOCSA-N 1 2 238.331 1.783 20 0 BDADLO COCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000152400906 344539455 /nfs/dbraw/zinc/53/94/55/344539455.db2.gz HXFLPIPZUVWCEN-UHFFFAOYSA-N 1 2 223.276 1.466 20 0 BDADLO CCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000672667117 488263396 /nfs/dbraw/zinc/26/33/96/488263396.db2.gz PEBDYSRSLLZFBV-VIFPVBQESA-N 1 2 209.293 1.267 20 0 BDADLO Cc1ccc(SCc2c[nH+]cn2C)nn1 ZINC000641457121 362430499 /nfs/dbraw/zinc/43/04/99/362430499.db2.gz VWCBOXUNVDPMPO-UHFFFAOYSA-N 1 2 220.301 1.811 20 0 BDADLO OC[C@@H](CC(F)(F)F)Nc1cc[nH+]cc1F ZINC000641461874 362436657 /nfs/dbraw/zinc/43/66/57/362436657.db2.gz DDPVEUYAXVFQQJ-ZCFIWIBFSA-N 1 2 238.184 1.368 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CC=CCC1 ZINC000577768882 344597146 /nfs/dbraw/zinc/59/71/46/344597146.db2.gz VDZKZZAYPVYYGP-VIFPVBQESA-N 1 2 234.303 1.258 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CC=CCC1 ZINC000577768882 344597150 /nfs/dbraw/zinc/59/71/50/344597150.db2.gz VDZKZZAYPVYYGP-VIFPVBQESA-N 1 2 234.303 1.258 20 0 BDADLO CCOC(=O)[C@H](CC)SCc1cn(C)c[nH+]1 ZINC000603317771 349912938 /nfs/dbraw/zinc/91/29/38/349912938.db2.gz CNSTYFCIZOZDEL-JTQLQIEISA-N 1 2 242.344 1.995 20 0 BDADLO C[C@@H]1CC(Nc2cc(CO)cc[nH+]2)C[C@@H](C)O1 ZINC000641472512 362441559 /nfs/dbraw/zinc/44/15/59/362441559.db2.gz CEVJTSZCWZVXOK-NXEZZACHSA-N 1 2 236.315 1.942 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccccc1C ZINC000047867246 344582675 /nfs/dbraw/zinc/58/26/75/344582675.db2.gz AIVCXDMDUBNBTQ-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccccc1C ZINC000047867246 344582676 /nfs/dbraw/zinc/58/26/76/344582676.db2.gz AIVCXDMDUBNBTQ-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573980399 344586404 /nfs/dbraw/zinc/58/64/04/344586404.db2.gz VYKPNTUUQPWZHO-ZJUUUORDSA-N 1 2 223.320 1.845 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573980399 344586408 /nfs/dbraw/zinc/58/64/08/344586408.db2.gz VYKPNTUUQPWZHO-ZJUUUORDSA-N 1 2 223.320 1.845 20 0 BDADLO COC(=O)C[C@H](C)SCc1cn(C)c[nH+]1 ZINC000603317500 349913295 /nfs/dbraw/zinc/91/32/95/349913295.db2.gz PTQQBBGJJOZWQI-QMMMGPOBSA-N 1 2 228.317 1.605 20 0 BDADLO CN(CCc1cnccn1)c1cc[nH+]cc1F ZINC000641476373 362448767 /nfs/dbraw/zinc/44/87/67/362448767.db2.gz BQGMXBAEAXCDEE-UHFFFAOYSA-N 1 2 232.262 1.690 20 0 BDADLO CN(C)c1nccc(CNc2cc[nH+]cc2F)n1 ZINC000641480755 362451103 /nfs/dbraw/zinc/45/11/03/362451103.db2.gz SEAYLEJDGKBISQ-UHFFFAOYSA-N 1 2 247.277 1.111 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)[C@@H]1CCCOC1 ZINC000641484389 362452399 /nfs/dbraw/zinc/45/23/99/362452399.db2.gz PICWUYHIZIHRGV-CMPLNLGQSA-N 1 2 236.315 1.801 20 0 BDADLO OCc1cc[nH+]c(NCC2(CO)CCCC2)c1 ZINC000641497988 362461389 /nfs/dbraw/zinc/46/13/89/362461389.db2.gz UKZYPWPPQBEAPT-UHFFFAOYSA-N 1 2 236.315 1.539 20 0 BDADLO OCC[C@H](Nc1cc[nH+]cc1F)c1ccco1 ZINC000641497157 362463092 /nfs/dbraw/zinc/46/30/92/362463092.db2.gz RBABIQZTFAQXOS-NSHDSACASA-N 1 2 236.246 1.771 20 0 BDADLO CC(C)(O)CCNc1cc(CO)cc[nH+]1 ZINC000641500708 362463330 /nfs/dbraw/zinc/46/33/30/362463330.db2.gz WUHYQPHYYOTCDJ-UHFFFAOYSA-N 1 2 210.277 1.147 20 0 BDADLO OCC[C@@H](Nc1cc[nH+]cc1F)c1ccco1 ZINC000641497133 362463363 /nfs/dbraw/zinc/46/33/63/362463363.db2.gz RBABIQZTFAQXOS-LLVKDONJSA-N 1 2 236.246 1.771 20 0 BDADLO CC1(C)CN(c2cc[nH+]cc2F)CC[C@@H]1O ZINC000641520352 362477988 /nfs/dbraw/zinc/47/79/88/362477988.db2.gz DIZSARJUUQZSBZ-NSHDSACASA-N 1 2 224.279 1.818 20 0 BDADLO CC1(C)CN(c2cc[nH+]cc2F)CC[C@H]1O ZINC000641520351 362478190 /nfs/dbraw/zinc/47/81/90/362478190.db2.gz DIZSARJUUQZSBZ-LLVKDONJSA-N 1 2 224.279 1.818 20 0 BDADLO COC[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](C)O1 ZINC000641523444 362480065 /nfs/dbraw/zinc/48/00/65/362480065.db2.gz LMPPOPFKOVBWBN-UWVGGRQHSA-N 1 2 240.278 1.461 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1cc[nH+]cc1F ZINC000641537620 362487382 /nfs/dbraw/zinc/48/73/82/362487382.db2.gz OIIQFHCNRKSMNW-PSASIEDQSA-N 1 2 210.252 1.480 20 0 BDADLO Cc1ccncc1CN(C)c1cc(CO)cc[nH+]1 ZINC000641546699 362494120 /nfs/dbraw/zinc/49/41/20/362494120.db2.gz FZMDOFGJGCOBBJ-UHFFFAOYSA-N 1 2 243.310 1.914 20 0 BDADLO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CC(F)F)c[nH]1 ZINC000625990263 344656457 /nfs/dbraw/zinc/65/64/57/344656457.db2.gz ADBKCBMOTUAUBE-KCJUWKMLSA-N 1 2 244.241 1.472 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626006271 344665166 /nfs/dbraw/zinc/66/51/66/344665166.db2.gz UWUBFANGTOYPLT-LLVKDONJSA-N 1 2 239.294 1.224 20 0 BDADLO Nc1ncccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626006271 344665168 /nfs/dbraw/zinc/66/51/68/344665168.db2.gz UWUBFANGTOYPLT-LLVKDONJSA-N 1 2 239.294 1.224 20 0 BDADLO FCC[C@@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000626004856 344666745 /nfs/dbraw/zinc/66/67/45/344666745.db2.gz PQBFPIRWEALJMP-SECBINFHSA-N 1 2 241.253 1.329 20 0 BDADLO FCC[C@@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000626004856 344666746 /nfs/dbraw/zinc/66/67/46/344666746.db2.gz PQBFPIRWEALJMP-SECBINFHSA-N 1 2 241.253 1.329 20 0 BDADLO CCN(Cc1[nH+]ccn1C)CC(F)(F)F ZINC000112343427 344642455 /nfs/dbraw/zinc/64/24/55/344642455.db2.gz HDYNJJCQPZLYCZ-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2CO)no1 ZINC000050116951 344643076 /nfs/dbraw/zinc/64/30/76/344643076.db2.gz GEOOWAHTMZNHHC-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]2CO)no1 ZINC000050116951 344643079 /nfs/dbraw/zinc/64/30/79/344643079.db2.gz GEOOWAHTMZNHHC-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CS[C@@H](CO)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603295364 349915288 /nfs/dbraw/zinc/91/52/88/349915288.db2.gz LCRKDLHPZQVULC-WPRPVWTQSA-N 1 2 242.344 1.098 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCS1 ZINC000075196603 344768784 /nfs/dbraw/zinc/76/87/84/344768784.db2.gz KPADUVBBHZHMKB-SNVBAGLBSA-N 1 2 238.312 1.924 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\C1CCC1 ZINC000492085048 530027151 /nfs/dbraw/zinc/02/71/51/530027151.db2.gz KHZYCLGXWAHRBN-SREVYHEPSA-N 1 2 233.315 1.735 20 0 BDADLO C[C@H](CC[S@@](C)=O)Nc1cc[nH+]cc1F ZINC000603303704 349916215 /nfs/dbraw/zinc/91/62/15/349916215.db2.gz QVRAFVWZVKPDAE-ANRSDYALSA-N 1 2 230.308 1.212 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@H](OC)C2)o1 ZINC000075712922 344784932 /nfs/dbraw/zinc/78/49/32/344784932.db2.gz JOZBTMQQMHOSAO-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@H](OC)C2)o1 ZINC000075712922 344784935 /nfs/dbraw/zinc/78/49/35/344784935.db2.gz JOZBTMQQMHOSAO-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO O=C(NCc1[nH+]ccn1CC(F)(F)F)C1CC1 ZINC000075711148 344785082 /nfs/dbraw/zinc/78/50/82/344785082.db2.gz OQWLQWQKZRNEAB-UHFFFAOYSA-N 1 2 247.220 1.472 20 0 BDADLO CC(C)OCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000075848756 344785473 /nfs/dbraw/zinc/78/54/73/344785473.db2.gz HDMYSYZORNILKA-NSHDSACASA-N 1 2 239.319 1.203 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075782802 344791946 /nfs/dbraw/zinc/79/19/46/344791946.db2.gz RGGBQPQBWCNTHU-ZJUUUORDSA-N 1 2 241.335 1.957 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000075782802 344791949 /nfs/dbraw/zinc/79/19/49/344791949.db2.gz RGGBQPQBWCNTHU-ZJUUUORDSA-N 1 2 241.335 1.957 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cc(C)on2)[nH+]1 ZINC000628140224 344805700 /nfs/dbraw/zinc/80/57/00/344805700.db2.gz CYRUJZIWGQMYFX-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO CCO[C@H](C)c1nc(C[N@H+](C)CCO)cs1 ZINC000076720017 344808919 /nfs/dbraw/zinc/80/89/19/344808919.db2.gz GEWZRADTPLAYIE-SECBINFHSA-N 1 2 244.360 1.665 20 0 BDADLO CCO[C@H](C)c1nc(C[N@@H+](C)CCO)cs1 ZINC000076720017 344808921 /nfs/dbraw/zinc/80/89/21/344808921.db2.gz GEWZRADTPLAYIE-SECBINFHSA-N 1 2 244.360 1.665 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)c(C)c[nH+]1 ZINC000408474327 344834476 /nfs/dbraw/zinc/83/44/76/344834476.db2.gz QBUYMCICUGNSMN-NWDGAFQWSA-N 1 2 248.326 1.874 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnc(C)o1 ZINC000628146010 344824677 /nfs/dbraw/zinc/82/46/77/344824677.db2.gz BPNKRQNJYJBPLQ-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnc(C)o1 ZINC000628146010 344824678 /nfs/dbraw/zinc/82/46/78/344824678.db2.gz BPNKRQNJYJBPLQ-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO COC(=O)[C@@](C)([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000037957104 344912048 /nfs/dbraw/zinc/91/20/48/344912048.db2.gz LRJBZDHABWBGSV-JQWIXIFHSA-N 1 2 227.304 1.097 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CC[C@@H](O)C2)c1 ZINC000641550852 362496092 /nfs/dbraw/zinc/49/60/92/362496092.db2.gz XWNYZNNDFGRSJT-MWLCHTKSSA-N 1 2 222.288 1.147 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C(C1CC1)C1CC1 ZINC000121468027 344925952 /nfs/dbraw/zinc/92/59/52/344925952.db2.gz DRWGJOYXTIZOPD-UHFFFAOYSA-N 1 2 247.342 1.515 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC3(CCC3)C2)o1 ZINC000628182553 344928010 /nfs/dbraw/zinc/92/80/10/344928010.db2.gz AHCMNYZZLYYFSP-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC3(CCC3)C2)o1 ZINC000628182553 344928011 /nfs/dbraw/zinc/92/80/11/344928011.db2.gz AHCMNYZZLYYFSP-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@@H]2c2nncn2C)[nH+]1 ZINC000628186273 344936551 /nfs/dbraw/zinc/93/65/51/344936551.db2.gz DRPMPEHEMNIKRT-SNVBAGLBSA-N 1 2 246.318 1.184 20 0 BDADLO Cc1c[nH]c(CN2CCOC(C)(C)[C@H]2C)[nH+]1 ZINC000628179134 344914381 /nfs/dbraw/zinc/91/43/81/344914381.db2.gz OSZDKTWMYBZCRV-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000578765879 344915108 /nfs/dbraw/zinc/91/51/08/344915108.db2.gz QXSRRRGCTJIVMX-RWMBFGLXSA-N 1 2 247.342 1.691 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)OC[C@H]1C ZINC000249863882 362504432 /nfs/dbraw/zinc/50/44/32/362504432.db2.gz GZULAFXKKGNMKF-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO C[NH+](C)Cc1ncccc1Br ZINC000238333935 345023843 /nfs/dbraw/zinc/02/38/43/345023843.db2.gz MAEJVOUSPPFAKJ-UHFFFAOYSA-N 1 2 215.094 1.906 20 0 BDADLO OC1(CCNc2cc[nH+]cc2F)CCC1 ZINC000641564001 362508083 /nfs/dbraw/zinc/50/80/83/362508083.db2.gz TXKVUXQOPYZLTM-UHFFFAOYSA-N 1 2 210.252 1.360 20 0 BDADLO CC1(C)OCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641614927 362547292 /nfs/dbraw/zinc/54/72/92/362547292.db2.gz AERXLQDQTQFJPQ-JTQLQIEISA-N 1 2 210.252 1.622 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CC23CCOCC3)c1 ZINC000641621008 362553243 /nfs/dbraw/zinc/55/32/43/362553243.db2.gz KMLBVXTUHXJLHT-LLVKDONJSA-N 1 2 234.299 1.555 20 0 BDADLO CO[C@@](C)(CNc1cc[nH+]cc1F)C1CC1 ZINC000641622030 362554138 /nfs/dbraw/zinc/55/41/38/362554138.db2.gz JVFNPJKPHVGUQP-LBPRGKRZSA-N 1 2 224.279 1.870 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc[nH+]cc2F)C1 ZINC000641592954 362534769 /nfs/dbraw/zinc/53/47/69/362534769.db2.gz PYNYRLDLDYVBPO-DTORHVGOSA-N 1 2 210.252 1.834 20 0 BDADLO C[C@@H]1COCC[C@H]1CNc1cc[nH+]cc1F ZINC000641594449 362535624 /nfs/dbraw/zinc/53/56/24/362535624.db2.gz LCWPDRINLGUETE-ZJUUUORDSA-N 1 2 224.279 1.727 20 0 BDADLO C[C@H]1COCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641594448 362535782 /nfs/dbraw/zinc/53/57/82/362535782.db2.gz LCWPDRINLGUETE-VHSXEESVSA-N 1 2 224.279 1.727 20 0 BDADLO COCC[C@H](COC)Nc1cc(CO)cc[nH+]1 ZINC000641601720 362539525 /nfs/dbraw/zinc/53/95/25/362539525.db2.gz IHQZVJWGTNOLDF-LLVKDONJSA-N 1 2 240.303 1.037 20 0 BDADLO C[C@@H]1[C@H](CO)CCCN1c1cc[nH+]cc1F ZINC000641639747 362567764 /nfs/dbraw/zinc/56/77/64/362567764.db2.gz XANQQFMRXNNMLY-ZJUUUORDSA-N 1 2 224.279 1.818 20 0 BDADLO COCC1(CCNc2cc(CO)cc[nH+]2)CC1 ZINC000641646067 362572466 /nfs/dbraw/zinc/57/24/66/362572466.db2.gz NOMJJGKJGZTAFK-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO Cc1cncnc1SC[C@H]1C[N@H+](C)CCO1 ZINC000641645948 362572672 /nfs/dbraw/zinc/57/26/72/362572672.db2.gz UOOZKGSJYABGJD-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1cncnc1SC[C@H]1C[N@@H+](C)CCO1 ZINC000641645948 362572677 /nfs/dbraw/zinc/57/26/77/362572677.db2.gz UOOZKGSJYABGJD-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO C[C@H]1SCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641647136 362574071 /nfs/dbraw/zinc/57/40/71/362574071.db2.gz PRVJNDBGDIVAEM-SCZZXKLOSA-N 1 2 224.329 1.880 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CO1 ZINC000641648417 362574599 /nfs/dbraw/zinc/57/45/99/362574599.db2.gz JNHDIABBQDENOY-PSASIEDQSA-N 1 2 208.261 1.163 20 0 BDADLO COC[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000044477329 345091719 /nfs/dbraw/zinc/09/17/19/345091719.db2.gz VGBJOUMTCJPIDS-MRVPVSSYSA-N 1 2 235.291 1.058 20 0 BDADLO Cc1nsc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000641649400 362575752 /nfs/dbraw/zinc/57/57/52/362575752.db2.gz ZFBQCAQAUQTRQJ-RKDXNWHRSA-N 1 2 240.376 1.409 20 0 BDADLO CCO[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641657991 362582375 /nfs/dbraw/zinc/58/23/75/362582375.db2.gz ADRWVCKGHHDYAW-KYZUINATSA-N 1 2 210.252 1.622 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@]3(CC3(F)F)C2)c1 ZINC000641651360 362578730 /nfs/dbraw/zinc/57/87/30/362578730.db2.gz DPYNMHFLKLRLCF-LLVKDONJSA-N 1 2 240.253 1.809 20 0 BDADLO COC[C@H](CCNc1cc[nH+]cc1F)OC ZINC000641657832 362582448 /nfs/dbraw/zinc/58/24/48/362582448.db2.gz XPKXLDOONDPXSU-VIFPVBQESA-N 1 2 228.267 1.106 20 0 BDADLO O=C1[C@H](Nc2cc[nH+]cc2F)C[C@@H]2CCCCN12 ZINC000641627376 362557840 /nfs/dbraw/zinc/55/78/40/362557840.db2.gz VMJVZXQVYWFZQW-JOYOIKCWSA-N 1 2 249.289 1.208 20 0 BDADLO CO[C@H]([C@H](C)Nc1cc(CO)cc[nH+]1)C1CC1 ZINC000641630096 362560705 /nfs/dbraw/zinc/56/07/05/362560705.db2.gz RQHAFDBEEUHRJO-TVQRCGJNSA-N 1 2 236.315 1.799 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CS1 ZINC000641632085 362563083 /nfs/dbraw/zinc/56/30/83/362563083.db2.gz KRDDVVQCWKWNKB-WCBMZHEXSA-N 1 2 224.329 1.880 20 0 BDADLO CCOC(=O)C[C@H](C)CNc1cc[nH+]cc1F ZINC000603331481 349924737 /nfs/dbraw/zinc/92/47/37/349924737.db2.gz GZYRQCNQAKUWFP-VIFPVBQESA-N 1 2 240.278 1.644 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635068240 345236518 /nfs/dbraw/zinc/23/65/18/345236518.db2.gz HNXKREKOTVNIGY-NXEZZACHSA-N 1 2 221.304 1.676 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635068240 345236521 /nfs/dbraw/zinc/23/65/21/345236521.db2.gz HNXKREKOTVNIGY-NXEZZACHSA-N 1 2 221.304 1.676 20 0 BDADLO CCNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635070821 345239086 /nfs/dbraw/zinc/23/90/86/345239086.db2.gz WZIJOLQTMNKCGY-CYBMUJFWSA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635070821 345239088 /nfs/dbraw/zinc/23/90/88/345239088.db2.gz WZIJOLQTMNKCGY-CYBMUJFWSA-N 1 2 248.326 1.406 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CCCC2)[nH+]1 ZINC000635072072 345239885 /nfs/dbraw/zinc/23/98/85/345239885.db2.gz GCVWIMDGBASMFN-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@]1(C)C(C)C ZINC000397255895 323084807 /nfs/dbraw/zinc/08/48/07/323084807.db2.gz DDUDHBVMNJOTES-PRHODGIISA-N 1 2 236.319 1.914 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@]1(C)C(C)C ZINC000397255895 323084808 /nfs/dbraw/zinc/08/48/08/323084808.db2.gz DDUDHBVMNJOTES-PRHODGIISA-N 1 2 236.319 1.914 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC3(CC3)CC2)[nH]1 ZINC000626114368 345316321 /nfs/dbraw/zinc/31/63/21/345316321.db2.gz DELWECWYQFCOGS-UHFFFAOYSA-N 1 2 222.292 1.276 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC3(CC3)CC2)[nH]1 ZINC000626114368 345316322 /nfs/dbraw/zinc/31/63/22/345316322.db2.gz DELWECWYQFCOGS-UHFFFAOYSA-N 1 2 222.292 1.276 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc(O)c1 ZINC000359290885 345259539 /nfs/dbraw/zinc/25/95/39/345259539.db2.gz CROMZXXLSVFXOB-UHFFFAOYSA-N 1 2 246.314 1.543 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(O)c1 ZINC000359290885 345259542 /nfs/dbraw/zinc/25/95/42/345259542.db2.gz CROMZXXLSVFXOB-UHFFFAOYSA-N 1 2 246.314 1.543 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635200169 345271212 /nfs/dbraw/zinc/27/12/12/345271212.db2.gz CVWRDDORWLXIQG-RKDXNWHRSA-N 1 2 221.304 1.818 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635200169 345271216 /nfs/dbraw/zinc/27/12/16/345271216.db2.gz CVWRDDORWLXIQG-RKDXNWHRSA-N 1 2 221.304 1.818 20 0 BDADLO CN(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635205211 345271858 /nfs/dbraw/zinc/27/18/58/345271858.db2.gz DFXWQIBDEZWCMV-ZETCQYMHSA-N 1 2 235.209 1.465 20 0 BDADLO CCCN(CC)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635247292 345283238 /nfs/dbraw/zinc/28/32/38/345283238.db2.gz OXLAPFGKBLBKNR-UHFFFAOYSA-N 1 2 223.320 1.773 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635298846 345296805 /nfs/dbraw/zinc/29/68/05/345296805.db2.gz ARKYQKOXCVRQJD-UTINFBMNSA-N 1 2 219.288 1.285 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635298846 345296807 /nfs/dbraw/zinc/29/68/07/345296807.db2.gz ARKYQKOXCVRQJD-UTINFBMNSA-N 1 2 219.288 1.285 20 0 BDADLO C[C@H](C[S@](C)=O)N(C)c1cc[nH+]cc1F ZINC000603333718 349926306 /nfs/dbraw/zinc/92/63/06/349926306.db2.gz HYGRURZXPWATJN-GLEZIHRCSA-N 1 2 230.308 1.424 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427990651 345359244 /nfs/dbraw/zinc/35/92/44/345359244.db2.gz IWGDWTAWAXOVHW-SDDRHHMPSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635421064 345360768 /nfs/dbraw/zinc/36/07/68/345360768.db2.gz JOWYULJVSQEAPM-FBIMIBRVSA-N 1 2 233.315 1.676 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635421064 345360773 /nfs/dbraw/zinc/36/07/73/345360773.db2.gz JOWYULJVSQEAPM-FBIMIBRVSA-N 1 2 233.315 1.676 20 0 BDADLO Cc1cc(N)nc(SCC[C@H]2CCOC2)[nH+]1 ZINC000400649511 345369210 /nfs/dbraw/zinc/36/92/10/345369210.db2.gz MVZMALVIFWANMK-SECBINFHSA-N 1 2 239.344 1.716 20 0 BDADLO Cc1nnc(NCCCn2cc[nH+]c2)nc1C ZINC000158825107 345380899 /nfs/dbraw/zinc/38/08/99/345380899.db2.gz GJAWAMGSGOZXHZ-UHFFFAOYSA-N 1 2 232.291 1.187 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635463149 345380904 /nfs/dbraw/zinc/38/09/04/345380904.db2.gz FKEUPEGHOVMJOU-LLVKDONJSA-N 1 2 235.287 1.630 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635463149 345380905 /nfs/dbraw/zinc/38/09/05/345380905.db2.gz FKEUPEGHOVMJOU-LLVKDONJSA-N 1 2 235.287 1.630 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cc(C)nn2C)[nH+]1 ZINC000635363250 345326168 /nfs/dbraw/zinc/32/61/68/345326168.db2.gz SSJIVSLJBYBXCE-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO CC[N@H+](Cc1cccs1)[C@H]1CCOC1=O ZINC000132364394 345328427 /nfs/dbraw/zinc/32/84/27/345328427.db2.gz BURHDEYEGSHYDZ-JTQLQIEISA-N 1 2 225.313 1.886 20 0 BDADLO CC[N@@H+](Cc1cccs1)[C@H]1CCOC1=O ZINC000132364394 345328431 /nfs/dbraw/zinc/32/84/31/345328431.db2.gz BURHDEYEGSHYDZ-JTQLQIEISA-N 1 2 225.313 1.886 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)[nH]1 ZINC000158456417 345335426 /nfs/dbraw/zinc/33/54/26/345335426.db2.gz ATQHTTBGGJPJIK-ZJUUUORDSA-N 1 2 238.335 1.102 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)[nH]1 ZINC000158456417 345335428 /nfs/dbraw/zinc/33/54/28/345335428.db2.gz ATQHTTBGGJPJIK-ZJUUUORDSA-N 1 2 238.335 1.102 20 0 BDADLO Cc1n[nH]c(NC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC000635511334 345407896 /nfs/dbraw/zinc/40/78/96/345407896.db2.gz JSMXRCLUSKUICY-UHFFFAOYSA-N 1 2 239.323 1.030 20 0 BDADLO Cc1n[nH]c(NC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC000635511334 345407898 /nfs/dbraw/zinc/40/78/98/345407898.db2.gz JSMXRCLUSKUICY-UHFFFAOYSA-N 1 2 239.323 1.030 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@@H](C)C2)[nH+]1 ZINC000080766566 345450070 /nfs/dbraw/zinc/45/00/70/345450070.db2.gz LEBWHMZYRLOARG-QMMMGPOBSA-N 1 2 232.287 1.491 20 0 BDADLO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635484885 345393463 /nfs/dbraw/zinc/39/34/63/345393463.db2.gz FGIRCSFHINVADR-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635484885 345393465 /nfs/dbraw/zinc/39/34/65/345393465.db2.gz FGIRCSFHINVADR-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO OCc1cc[nH+]c(NC[C@H](CO)CC2CC2)c1 ZINC000641661523 362586088 /nfs/dbraw/zinc/58/60/88/362586088.db2.gz VSSRCEVWSREGOX-GFCCVEGCSA-N 1 2 236.315 1.394 20 0 BDADLO COc1cc(C)nc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000641663142 362586468 /nfs/dbraw/zinc/58/64/68/362586468.db2.gz OCEHYQCOCAGILA-UHFFFAOYSA-N 1 2 247.302 1.864 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc[nH+]cc2F)C12CCC2 ZINC000641660867 362588247 /nfs/dbraw/zinc/58/82/47/362588247.db2.gz MPNHUFWKZBVZFN-MNOVXSKESA-N 1 2 222.263 1.358 20 0 BDADLO Cc1cncnc1NCC(C)(C)n1cc[nH+]c1 ZINC000641664036 362588823 /nfs/dbraw/zinc/58/88/23/362588823.db2.gz CJJLXCBGECFSOE-UHFFFAOYSA-N 1 2 231.303 1.251 20 0 BDADLO CO[C@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000080979574 345457545 /nfs/dbraw/zinc/45/75/45/345457545.db2.gz LWPZITPUNAVQBI-JTQLQIEISA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000081003975 345458748 /nfs/dbraw/zinc/45/87/48/345458748.db2.gz DOTASLXTDNBIEV-HTQZYQBOSA-N 1 2 234.303 1.695 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)CCCO)[nH+]1 ZINC000088758200 345545280 /nfs/dbraw/zinc/54/52/80/345545280.db2.gz PBDQAKSHYPDXBM-MRVPVSSYSA-N 1 2 234.303 1.839 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1nccs1 ZINC000635543184 345550642 /nfs/dbraw/zinc/55/06/42/345550642.db2.gz LYVQKSDVVYVSLH-HTQZYQBOSA-N 1 2 248.311 1.633 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1nccs1 ZINC000635543184 345550644 /nfs/dbraw/zinc/55/06/44/345550644.db2.gz LYVQKSDVVYVSLH-HTQZYQBOSA-N 1 2 248.311 1.633 20 0 BDADLO CCC(CC)[N@@H+](Cc1n[nH]c(=O)[nH]1)CC(C)C ZINC000091589328 345600556 /nfs/dbraw/zinc/60/05/56/345600556.db2.gz BRAWYHYYLJPDBK-UHFFFAOYSA-N 1 2 240.351 1.745 20 0 BDADLO CCC(CC)[N@H+](Cc1n[nH]c(=O)[nH]1)CC(C)C ZINC000091589328 345600560 /nfs/dbraw/zinc/60/05/60/345600560.db2.gz BRAWYHYYLJPDBK-UHFFFAOYSA-N 1 2 240.351 1.745 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000249964183 537901397 /nfs/dbraw/zinc/90/13/97/537901397.db2.gz JXDQCNUQIYIGKI-WHGOUJPWSA-N 1 2 223.320 1.528 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc[nH+]c3ccncc31)C2 ZINC000641711518 362621856 /nfs/dbraw/zinc/62/18/56/362621856.db2.gz DWGIIIMSYWJXTR-ZANVPECISA-N 1 2 227.267 1.201 20 0 BDADLO O[C@@]12C[C@@H]1CN(c1[nH+]ccc3cc(F)ccc31)C2 ZINC000641712149 362623900 /nfs/dbraw/zinc/62/39/00/362623900.db2.gz MGEVQYQHACWEPC-QMTHXVAHSA-N 1 2 244.269 1.945 20 0 BDADLO CCOCCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000092963133 345649914 /nfs/dbraw/zinc/64/99/14/345649914.db2.gz SVTXUGOAJVKNAG-UHFFFAOYSA-N 1 2 246.314 1.685 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@H](O)C2)[nH+]1 ZINC000092977528 345650617 /nfs/dbraw/zinc/65/06/17/345650617.db2.gz KCXQSHORYYNHJR-LDYMZIIASA-N 1 2 246.314 1.473 20 0 BDADLO CC(C)c1nc(N2CC[C@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000092977756 345650656 /nfs/dbraw/zinc/65/06/56/345650656.db2.gz YCERHCMVKUVLIF-QWRGUYRKSA-N 1 2 235.331 1.807 20 0 BDADLO CCc1cc(N2Cc3cnn(C)c3C2)nc(C)[nH+]1 ZINC000641677182 362599048 /nfs/dbraw/zinc/59/90/48/362599048.db2.gz YLQOEWZYRRXVOQ-UHFFFAOYSA-N 1 2 243.314 1.601 20 0 BDADLO O[C@@H]1CC[C@H]2CCN(c3cc[nH+]cc3F)[C@@H]12 ZINC000641679173 362600721 /nfs/dbraw/zinc/60/07/21/362600721.db2.gz IMSRABMAEIXOKQ-XXILOJSOSA-N 1 2 222.263 1.570 20 0 BDADLO CC[C@@]1(O)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641683516 362603348 /nfs/dbraw/zinc/60/33/48/362603348.db2.gz ZQWWAPULWWDERE-CYBMUJFWSA-N 1 2 236.315 1.315 20 0 BDADLO OCc1cc[nH+]c(NCC[C@@H](O)C(F)F)c1 ZINC000641681152 362603594 /nfs/dbraw/zinc/60/35/94/362603594.db2.gz AMZYDZQHPQSWQM-MRVPVSSYSA-N 1 2 232.230 1.002 20 0 BDADLO c1cn(CCC2CCC2)c(CN2CCOCC2)[nH+]1 ZINC000641728396 362649096 /nfs/dbraw/zinc/64/90/96/362649096.db2.gz RRLNKFWJXZNCSI-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@H]2CC2(C)C)[nH+]1 ZINC000635554312 345681510 /nfs/dbraw/zinc/68/15/10/345681510.db2.gz OLSGCJJETXCYHR-SECBINFHSA-N 1 2 235.331 1.677 20 0 BDADLO CCc1ncc(CNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC000622656314 345771484 /nfs/dbraw/zinc/77/14/84/345771484.db2.gz ZIPXQHSVJFAIMD-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)C)o1 ZINC000049091177 345856112 /nfs/dbraw/zinc/85/61/12/345856112.db2.gz QICDYUHQUBXXFX-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)C)o1 ZINC000049091177 345856117 /nfs/dbraw/zinc/85/61/17/345856117.db2.gz QICDYUHQUBXXFX-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)(C)C ZINC000588963555 345835967 /nfs/dbraw/zinc/83/59/67/345835967.db2.gz WHDNMHRGBUSPRR-UWVGGRQHSA-N 1 2 245.363 1.571 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OC ZINC000449258369 201851318 /nfs/dbraw/zinc/85/13/18/201851318.db2.gz PEYLYDJFMDGEEI-LPEHRKFASA-N 1 2 231.361 1.669 20 0 BDADLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000626156638 345872137 /nfs/dbraw/zinc/87/21/37/345872137.db2.gz RBYVDMDSJMMMTN-GFCCVEGCSA-N 1 2 237.303 1.165 20 0 BDADLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccon1 ZINC000626156638 345872139 /nfs/dbraw/zinc/87/21/39/345872139.db2.gz RBYVDMDSJMMMTN-GFCCVEGCSA-N 1 2 237.303 1.165 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635582206 345878945 /nfs/dbraw/zinc/87/89/45/345878945.db2.gz JPJKJBAAANTFBX-GMTAPVOTSA-N 1 2 231.299 1.738 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635582206 345878947 /nfs/dbraw/zinc/87/89/47/345878947.db2.gz JPJKJBAAANTFBX-GMTAPVOTSA-N 1 2 231.299 1.738 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635594390 345881265 /nfs/dbraw/zinc/88/12/65/345881265.db2.gz LOPFNJUEOMSWQG-GMTAPVOTSA-N 1 2 235.331 1.922 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635594390 345881269 /nfs/dbraw/zinc/88/12/69/345881269.db2.gz LOPFNJUEOMSWQG-GMTAPVOTSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000635649851 345927027 /nfs/dbraw/zinc/92/70/27/345927027.db2.gz UBJKROYMJMFEKI-UKKRHICBSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000635649851 345927030 /nfs/dbraw/zinc/92/70/30/345927030.db2.gz UBJKROYMJMFEKI-UKKRHICBSA-N 1 2 233.315 1.770 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@H](C)[C@@H](C)C2)[nH+]1 ZINC000635627901 345900665 /nfs/dbraw/zinc/90/06/65/345900665.db2.gz DONQDFIFBZBYPF-UWVGGRQHSA-N 1 2 235.331 1.629 20 0 BDADLO Nc1cc(N2CCc3sccc3C2)[nH+]cn1 ZINC000082426520 345909377 /nfs/dbraw/zinc/90/93/77/345909377.db2.gz QOYCQTREHGZARP-UHFFFAOYSA-N 1 2 232.312 1.683 20 0 BDADLO Cc1cn2ccc(C(=O)N(C)C[C@@H](C)O)cc2[nH+]1 ZINC000635642208 345915784 /nfs/dbraw/zinc/91/57/84/345915784.db2.gz MGOWCOJBZZVWCY-SNVBAGLBSA-N 1 2 247.298 1.096 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2C[C@@H](O)C2)c(C)[nH+]1 ZINC000635670064 345969939 /nfs/dbraw/zinc/96/99/39/345969939.db2.gz ISFHODKTTFNSFD-AOOOYVTPSA-N 1 2 220.272 1.408 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000419017267 192093824 /nfs/dbraw/zinc/09/38/24/192093824.db2.gz NTOFTTZVTGWBHH-AEJSXWLSSA-N 1 2 249.362 1.727 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)[nH+]1 ZINC000419017267 192093826 /nfs/dbraw/zinc/09/38/26/192093826.db2.gz NTOFTTZVTGWBHH-AEJSXWLSSA-N 1 2 249.362 1.727 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@@H]3CCOC3)cc2[nH+]1 ZINC000635726655 346039504 /nfs/dbraw/zinc/03/95/04/346039504.db2.gz CZKIIZJCPYDMCD-LLVKDONJSA-N 1 2 245.282 1.161 20 0 BDADLO COC(=O)c1coc(C[NH+]2CC3(CC3)C2)c1 ZINC000449371604 201888743 /nfs/dbraw/zinc/88/87/43/201888743.db2.gz WUTKOJIAZSEVBS-UHFFFAOYSA-N 1 2 221.256 1.662 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635871961 346092992 /nfs/dbraw/zinc/09/29/92/346092992.db2.gz HGBVLNXWQWONJY-RKDXNWHRSA-N 1 2 219.288 1.382 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635871961 346092993 /nfs/dbraw/zinc/09/29/93/346092993.db2.gz HGBVLNXWQWONJY-RKDXNWHRSA-N 1 2 219.288 1.382 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000051838901 346095302 /nfs/dbraw/zinc/09/53/02/346095302.db2.gz GGWQMZLHLFFIBL-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000051838901 346095305 /nfs/dbraw/zinc/09/53/05/346095305.db2.gz GGWQMZLHLFFIBL-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635987857 346139431 /nfs/dbraw/zinc/13/94/31/346139431.db2.gz MUTJWBOWUOIQFE-LMLFDSFASA-N 1 2 233.315 1.676 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635987857 346139435 /nfs/dbraw/zinc/13/94/35/346139435.db2.gz MUTJWBOWUOIQFE-LMLFDSFASA-N 1 2 233.315 1.676 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CCC=CCC1 ZINC000635986706 346139484 /nfs/dbraw/zinc/13/94/84/346139484.db2.gz RNQJFVLCUSGRRA-LBPRGKRZSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@@H](C)CF)cc2[nH+]1 ZINC000635935450 346113771 /nfs/dbraw/zinc/11/37/71/346113771.db2.gz XDWINZKJOVSBQC-QMMMGPOBSA-N 1 2 235.262 1.731 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC[C@H]2C)[nH+]1 ZINC000635927038 346116619 /nfs/dbraw/zinc/11/66/19/346116619.db2.gz WVKVMMJVTRZHJM-SCZZXKLOSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)c1nc(N[C@H]2C[C@@](C)(O)C2)cc[nH+]1 ZINC000418997126 192096979 /nfs/dbraw/zinc/09/69/79/192096979.db2.gz KUPGAGVRJYGJDL-WVSHTKLVSA-N 1 2 221.304 1.347 20 0 BDADLO CC1(C)CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000279137351 346123765 /nfs/dbraw/zinc/12/37/65/346123765.db2.gz XJTQNHIIHWXQAA-LLVKDONJSA-N 1 2 231.299 1.770 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC(C)(F)F)[nH+]1 ZINC000635967002 346126346 /nfs/dbraw/zinc/12/63/46/346126346.db2.gz WCGYSIHUDMWUHT-UHFFFAOYSA-N 1 2 231.246 1.286 20 0 BDADLO CC(=O)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000635993181 346143326 /nfs/dbraw/zinc/14/33/26/346143326.db2.gz SSUIYAOCQBKCNA-GHMZBOCLSA-N 1 2 249.314 1.339 20 0 BDADLO CC(=O)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000635993181 346143328 /nfs/dbraw/zinc/14/33/28/346143328.db2.gz SSUIYAOCQBKCNA-GHMZBOCLSA-N 1 2 249.314 1.339 20 0 BDADLO Nc1cc(CSc2ncc[nH]2)cc[nH+]1 ZINC000193091196 346134129 /nfs/dbraw/zinc/13/41/29/346134129.db2.gz FAIJLOZSZZPETB-UHFFFAOYSA-N 1 2 206.274 1.679 20 0 BDADLO CCCCc1nc(C[N@H+](C)C(C)(C)CO)no1 ZINC000605576542 346199491 /nfs/dbraw/zinc/19/94/91/346199491.db2.gz VHVINAJRUMLUEB-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](C)C(C)(C)CO)no1 ZINC000605576542 346199492 /nfs/dbraw/zinc/19/94/92/346199492.db2.gz VHVINAJRUMLUEB-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CC(C)(C)n1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000090198930 537955709 /nfs/dbraw/zinc/95/57/09/537955709.db2.gz WFGYSLDZWALPQX-UHFFFAOYSA-N 1 2 219.292 1.973 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000628241544 346203769 /nfs/dbraw/zinc/20/37/69/346203769.db2.gz ZZDPHRIMBIVTEF-LLVKDONJSA-N 1 2 221.304 1.329 20 0 BDADLO COCC1(C2CC2)CN(c2cc[nH+]c(C)n2)C1 ZINC000631471492 346207555 /nfs/dbraw/zinc/20/75/55/346207555.db2.gz DEJCECHSXMRKBZ-UHFFFAOYSA-N 1 2 233.315 1.648 20 0 BDADLO COCCCOCC[N@H+](C)Cc1nc(C)c[nH]1 ZINC000628235335 346189222 /nfs/dbraw/zinc/18/92/22/346189222.db2.gz IZKVMTXHGMIYDQ-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1nc(C)c[nH]1 ZINC000628235335 346189223 /nfs/dbraw/zinc/18/92/23/346189223.db2.gz IZKVMTXHGMIYDQ-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COc1ccc(CN(C)Cc2[nH]cc(C)[nH+]2)cn1 ZINC000628237836 346194382 /nfs/dbraw/zinc/19/43/82/346194382.db2.gz AZWSNENGECZEEN-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO Cc1nc(N(C)[C@H]2CCCCN(C)C2=O)cc[nH+]1 ZINC000631478281 346231781 /nfs/dbraw/zinc/23/17/81/346231781.db2.gz FUOZVDYVKGOFMO-NSHDSACASA-N 1 2 248.330 1.232 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1O)c1ccon1 ZINC000381511991 346218710 /nfs/dbraw/zinc/21/87/10/346218710.db2.gz RJLWSCAREURQOH-MRVPVSSYSA-N 1 2 219.244 1.626 20 0 BDADLO Cc1[nH]c(CN2CC(=O)N(CC3CC3)C2)[nH+]c1C ZINC000628254784 346237018 /nfs/dbraw/zinc/23/70/18/346237018.db2.gz OZLYTONIJSAFEN-UHFFFAOYSA-N 1 2 248.330 1.038 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C(C)(C)C)C2)[nH+]1 ZINC000628255001 346238016 /nfs/dbraw/zinc/23/80/16/346238016.db2.gz XYZGMDWHDOLHET-NSHDSACASA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@@H]2c2nc(C)no2)[nH+]1 ZINC000628276011 346284283 /nfs/dbraw/zinc/28/42/83/346284283.db2.gz NJSZXLHLILXAAQ-SNVBAGLBSA-N 1 2 247.302 1.747 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000626163360 346275089 /nfs/dbraw/zinc/27/50/89/346275089.db2.gz JBZRVHUREORRMS-KXMPLOMGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000626163360 346275091 /nfs/dbraw/zinc/27/50/91/346275091.db2.gz JBZRVHUREORRMS-KXMPLOMGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000626163360 346275094 /nfs/dbraw/zinc/27/50/94/346275094.db2.gz JBZRVHUREORRMS-KXMPLOMGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000626163360 346275096 /nfs/dbraw/zinc/27/50/96/346275096.db2.gz JBZRVHUREORRMS-KXMPLOMGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000626163360 346275097 /nfs/dbraw/zinc/27/50/97/346275097.db2.gz JBZRVHUREORRMS-KXMPLOMGSA-N 1 2 220.320 1.983 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628281384 346293676 /nfs/dbraw/zinc/29/36/76/346293676.db2.gz USFRPGGXIKQPFL-UHFFFAOYSA-N 1 2 243.310 1.488 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000636057415 346304210 /nfs/dbraw/zinc/30/42/10/346304210.db2.gz CGAXDWNCQABRFJ-DOFRTFSJSA-N 1 2 233.315 1.429 20 0 BDADLO Cc1ncc(C[N@H+](C)C[C@H](O)C(F)(F)F)o1 ZINC000628279920 346290719 /nfs/dbraw/zinc/29/07/19/346290719.db2.gz HRKJGLOJMBBGJR-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1ncc(C[N@@H+](C)C[C@H](O)C(F)(F)F)o1 ZINC000628279920 346290722 /nfs/dbraw/zinc/29/07/22/346290722.db2.gz HRKJGLOJMBBGJR-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1c[nH]c(CNc2cc(CO)cc[nH+]2)n1 ZINC000641762333 362692867 /nfs/dbraw/zinc/69/28/67/362692867.db2.gz LFHWYVYBUPLRDX-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO CC(C)n1nccc1CNc1cc(CO)cc[nH+]1 ZINC000641762929 362693607 /nfs/dbraw/zinc/69/36/07/362693607.db2.gz VEPDVIZBPVYLTE-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO COCc1cc(C[NH2+]C2CC(F)(F)C2)no1 ZINC000641761833 362685012 /nfs/dbraw/zinc/68/50/12/362685012.db2.gz KLGWMARCVCXAKV-UHFFFAOYSA-N 1 2 232.230 1.708 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000636112820 346323573 /nfs/dbraw/zinc/32/35/73/346323573.db2.gz RIGMTQREHPGPJM-JBLDHEPKSA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)n1cc(CNc2cc(CO)cc[nH+]2)cn1 ZINC000641764431 362695610 /nfs/dbraw/zinc/69/56/10/362695610.db2.gz VVSZGUQUDYRABE-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636242538 346366317 /nfs/dbraw/zinc/36/63/17/346366317.db2.gz KLMQSLFRQGOASF-NXEZZACHSA-N 1 2 233.315 1.818 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636242538 346366320 /nfs/dbraw/zinc/36/63/20/346366320.db2.gz KLMQSLFRQGOASF-NXEZZACHSA-N 1 2 233.315 1.818 20 0 BDADLO O=C(CCC(F)F)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000684464285 488316885 /nfs/dbraw/zinc/31/68/85/488316885.db2.gz OPHMUSIXFCMZEP-SSDOTTSWSA-N 1 2 243.257 1.429 20 0 BDADLO O=C(CCC(F)F)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000684464285 488316886 /nfs/dbraw/zinc/31/68/86/488316886.db2.gz OPHMUSIXFCMZEP-SSDOTTSWSA-N 1 2 243.257 1.429 20 0 BDADLO Cc1c(NCc2cccc3[nH+]ccn32)nnn1C ZINC000641781398 362721941 /nfs/dbraw/zinc/72/19/41/362721941.db2.gz XFWKETSXBWTNJW-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CCc1nc(C[N@H+](C)CCO)cs1 ZINC000052927693 346391864 /nfs/dbraw/zinc/39/18/64/346391864.db2.gz FTNSKGDACJWHBS-UHFFFAOYSA-N 1 2 200.307 1.130 20 0 BDADLO CCc1nc(C[N@@H+](C)CCO)cs1 ZINC000052927693 346391866 /nfs/dbraw/zinc/39/18/66/346391866.db2.gz FTNSKGDACJWHBS-UHFFFAOYSA-N 1 2 200.307 1.130 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000641790603 362725025 /nfs/dbraw/zinc/72/50/25/362725025.db2.gz MJGQYOGAOLVCFY-IUCAKERBSA-N 1 2 236.306 1.877 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1F ZINC000679219234 488318377 /nfs/dbraw/zinc/31/83/77/488318377.db2.gz FKOZMQGABAWGDM-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1F ZINC000679219234 488318380 /nfs/dbraw/zinc/31/83/80/488318380.db2.gz FKOZMQGABAWGDM-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000170698042 346435860 /nfs/dbraw/zinc/43/58/60/346435860.db2.gz SJFYESBECVTGRZ-NSHDSACASA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000170698042 346435864 /nfs/dbraw/zinc/43/58/64/346435864.db2.gz SJFYESBECVTGRZ-NSHDSACASA-N 1 2 244.298 1.013 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)C(F)F ZINC000641791861 362732644 /nfs/dbraw/zinc/73/26/44/362732644.db2.gz OFRPIBXJYKXZLE-JGVFFNPUSA-N 1 2 215.247 1.651 20 0 BDADLO C[C@H](Cc1cnccn1)[NH2+][C@H](C)C(F)F ZINC000641791860 362733124 /nfs/dbraw/zinc/73/31/24/362733124.db2.gz OFRPIBXJYKXZLE-HTQZYQBOSA-N 1 2 215.247 1.651 20 0 BDADLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000170817888 346453916 /nfs/dbraw/zinc/45/39/16/346453916.db2.gz OZWPAPOKEMDJDR-GFCCVEGCSA-N 1 2 249.314 1.131 20 0 BDADLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000170817888 346453918 /nfs/dbraw/zinc/45/39/18/346453918.db2.gz OZWPAPOKEMDJDR-GFCCVEGCSA-N 1 2 249.314 1.131 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170863739 346466129 /nfs/dbraw/zinc/46/61/29/346466129.db2.gz KYUQIPLPPQXYFY-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170863739 346466133 /nfs/dbraw/zinc/46/61/33/346466133.db2.gz KYUQIPLPPQXYFY-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1cccc(F)c1 ZINC000574970516 346475879 /nfs/dbraw/zinc/47/58/79/346475879.db2.gz WWKKQBHHNLQXJD-UHFFFAOYSA-N 1 2 233.246 1.339 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(CC2CC2)C1 ZINC000623041206 347098518 /nfs/dbraw/zinc/09/85/18/347098518.db2.gz BCPCGKKDOLKYRX-UHFFFAOYSA-N 1 2 233.315 1.519 20 0 BDADLO Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000641800707 362751946 /nfs/dbraw/zinc/75/19/46/362751946.db2.gz DFFBAXNFRPRBET-JSGCOSHPSA-N 1 2 248.374 1.037 20 0 BDADLO Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000641800707 362751950 /nfs/dbraw/zinc/75/19/50/362751950.db2.gz DFFBAXNFRPRBET-JSGCOSHPSA-N 1 2 248.374 1.037 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@H]1F ZINC000679227178 488322436 /nfs/dbraw/zinc/32/24/36/488322436.db2.gz XDRHHXMCDIMACA-CMPLNLGQSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@H]1F ZINC000679227178 488322437 /nfs/dbraw/zinc/32/24/37/488322437.db2.gz XDRHHXMCDIMACA-CMPLNLGQSA-N 1 2 242.338 1.583 20 0 BDADLO OC[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(F)(F)F ZINC000631491964 346526594 /nfs/dbraw/zinc/52/65/94/346526594.db2.gz XDJPURYBVGKXBA-DTWKUNHWSA-N 1 2 246.232 1.689 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)c(C)n1 ZINC000187043522 346551967 /nfs/dbraw/zinc/55/19/67/346551967.db2.gz VCBNMCCWULQWJO-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2(C)C)c(C)n1 ZINC000187043522 346551969 /nfs/dbraw/zinc/55/19/69/346551969.db2.gz VCBNMCCWULQWJO-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO CSC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000300851484 346582023 /nfs/dbraw/zinc/58/20/23/346582023.db2.gz NSKAUQYDNJRNAP-UHFFFAOYSA-N 1 2 238.356 1.906 20 0 BDADLO CCc1noc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000589604213 346717688 /nfs/dbraw/zinc/71/76/88/346717688.db2.gz JKMAXKCPTMRWDX-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000589604213 346717691 /nfs/dbraw/zinc/71/76/91/346717691.db2.gz JKMAXKCPTMRWDX-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621990641 370647714 /nfs/dbraw/zinc/64/77/14/370647714.db2.gz SDRWBGHPFLNEMY-RKDXNWHRSA-N 1 2 221.304 1.602 20 0 BDADLO COC(=O)c1cn(Cc2ccc[nH+]c2C)c(C)n1 ZINC000589255786 346683041 /nfs/dbraw/zinc/68/30/41/346683041.db2.gz NWXBOVWKPKFMDW-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO CC1(C)C(NC(=O)C[NH+]2CC(C)(C)C2)C1(C)C ZINC000580656076 365850839 /nfs/dbraw/zinc/85/08/39/365850839.db2.gz HMWISEAKNNBZHS-UHFFFAOYSA-N 1 2 238.375 1.879 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC12CC2 ZINC000563007873 346793797 /nfs/dbraw/zinc/79/37/97/346793797.db2.gz WVUKBPCPUYXWGB-VIFPVBQESA-N 1 2 205.261 1.011 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC12CC2 ZINC000563007873 346793801 /nfs/dbraw/zinc/79/38/01/346793801.db2.gz WVUKBPCPUYXWGB-VIFPVBQESA-N 1 2 205.261 1.011 20 0 BDADLO Cc1csc(C[NH2+][C@H]2CCn3ccnc32)n1 ZINC000345357252 365861832 /nfs/dbraw/zinc/86/18/32/365861832.db2.gz VSXQWRZLFIGXSB-VIFPVBQESA-N 1 2 234.328 1.883 20 0 BDADLO Cc1csc(CN[C@H]2CCn3cc[nH+]c32)n1 ZINC000345357252 365861838 /nfs/dbraw/zinc/86/18/38/365861838.db2.gz VSXQWRZLFIGXSB-VIFPVBQESA-N 1 2 234.328 1.883 20 0 BDADLO CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)C ZINC000108857960 347208696 /nfs/dbraw/zinc/20/86/96/347208696.db2.gz UUVHEBXZLJMCAR-UHFFFAOYSA-N 1 2 234.303 1.253 20 0 BDADLO CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)C ZINC000108857960 347208702 /nfs/dbraw/zinc/20/87/02/347208702.db2.gz UUVHEBXZLJMCAR-UHFFFAOYSA-N 1 2 234.303 1.253 20 0 BDADLO COC[C@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000187244273 347252461 /nfs/dbraw/zinc/25/24/61/347252461.db2.gz FKRGGNAYZUINHX-MRVPVSSYSA-N 1 2 207.264 1.998 20 0 BDADLO COC[C@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000187244273 347252463 /nfs/dbraw/zinc/25/24/63/347252463.db2.gz FKRGGNAYZUINHX-MRVPVSSYSA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)C[C@H]1COCCN1Cc1[nH+]ccn1C ZINC000113942475 187372811 /nfs/dbraw/zinc/37/28/11/187372811.db2.gz IYSCKNXOQUCXJH-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1nccn1C ZINC000113942475 187372813 /nfs/dbraw/zinc/37/28/13/187372813.db2.gz IYSCKNXOQUCXJH-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1nccn1C ZINC000113942475 187372815 /nfs/dbraw/zinc/37/28/15/187372815.db2.gz IYSCKNXOQUCXJH-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CCN1CC[N@H+](Cc2ccccn2)C(C)(C)C1=O ZINC000186514423 347235508 /nfs/dbraw/zinc/23/55/08/347235508.db2.gz UMFZIIXMWSWKNA-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CCN1CC[N@@H+](Cc2ccccn2)C(C)(C)C1=O ZINC000186514423 347235509 /nfs/dbraw/zinc/23/55/09/347235509.db2.gz UMFZIIXMWSWKNA-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000571326566 323141497 /nfs/dbraw/zinc/14/14/97/323141497.db2.gz HYVQCDUZHZNTSI-UWVGGRQHSA-N 1 2 239.306 1.389 20 0 BDADLO Nc1ccc(NC(=O)C=CC2CC2)c[nH+]1 ZINC000390131552 347254978 /nfs/dbraw/zinc/25/49/78/347254978.db2.gz KDHHUUSNTNSASJ-UTCJRWHESA-N 1 2 203.245 1.399 20 0 BDADLO CCN1CCC[N@@H+]([C@H](C)c2cnccn2)CC1=O ZINC000190234008 347323946 /nfs/dbraw/zinc/32/39/46/347323946.db2.gz HNZSNHJEXQSSJP-LLVKDONJSA-N 1 2 248.330 1.092 20 0 BDADLO CCN1CCC[N@H+]([C@H](C)c2cnccn2)CC1=O ZINC000190234008 347323950 /nfs/dbraw/zinc/32/39/50/347323950.db2.gz HNZSNHJEXQSSJP-LLVKDONJSA-N 1 2 248.330 1.092 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+]1Cc1csnn1 ZINC000191956603 347363902 /nfs/dbraw/zinc/36/39/02/347363902.db2.gz MXLMDMSWRMKISV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+]1Cc1csnn1 ZINC000191956603 347363905 /nfs/dbraw/zinc/36/39/05/347363905.db2.gz MXLMDMSWRMKISV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO Cc1cc(NC(=O)COCC(F)F)c(C)c[nH+]1 ZINC000626225690 347380956 /nfs/dbraw/zinc/38/09/56/347380956.db2.gz HVZPKPAKFIFHBR-UHFFFAOYSA-N 1 2 244.241 1.341 20 0 BDADLO CCC(=O)C1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616921817 347450862 /nfs/dbraw/zinc/45/08/62/347450862.db2.gz DMHHUMIIKWVGNE-UHFFFAOYSA-N 1 2 235.287 1.127 20 0 BDADLO CCC(=O)C1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616921817 347450874 /nfs/dbraw/zinc/45/08/74/347450874.db2.gz DMHHUMIIKWVGNE-UHFFFAOYSA-N 1 2 235.287 1.127 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616921889 347451343 /nfs/dbraw/zinc/45/13/43/347451343.db2.gz HMQXXZPFPYOMHI-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616921889 347451344 /nfs/dbraw/zinc/45/13/44/347451344.db2.gz HMQXXZPFPYOMHI-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO CO[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000616921909 347451716 /nfs/dbraw/zinc/45/17/16/347451716.db2.gz IMRNMLBMBZIFQJ-LLVKDONJSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000616921909 347451718 /nfs/dbraw/zinc/45/17/18/347451718.db2.gz IMRNMLBMBZIFQJ-LLVKDONJSA-N 1 2 237.303 1.183 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCc1ccco1 ZINC000616922945 347454080 /nfs/dbraw/zinc/45/40/80/347454080.db2.gz OKGIBZKCXKETIV-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCc1ccco1 ZINC000616922945 347454081 /nfs/dbraw/zinc/45/40/81/347454081.db2.gz OKGIBZKCXKETIV-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cccn1C ZINC000616923680 347454329 /nfs/dbraw/zinc/45/43/29/347454329.db2.gz QFPWZYOSJFSDDU-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cccn1C ZINC000616923680 347454332 /nfs/dbraw/zinc/45/43/32/347454332.db2.gz QFPWZYOSJFSDDU-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)COC(C)(C)C ZINC000616927583 347455995 /nfs/dbraw/zinc/45/59/95/347455995.db2.gz LYVYPBBYMMMTDR-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)COC(C)(C)C ZINC000616927583 347456001 /nfs/dbraw/zinc/45/60/01/347456001.db2.gz LYVYPBBYMMMTDR-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO Cc1ccccc1-c1noc([C@H]([NH3+])CO)n1 ZINC000021811276 179240836 /nfs/dbraw/zinc/24/08/36/179240836.db2.gz VAECNYILPAEEBR-SECBINFHSA-N 1 2 219.244 1.037 20 0 BDADLO CNc1nc(NCCSC)[nH+]c2ccccc21 ZINC000590684534 347490467 /nfs/dbraw/zinc/49/04/67/347490467.db2.gz KMUBEYDPKDJSDK-UHFFFAOYSA-N 1 2 248.355 1.290 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)oc1C ZINC000616926624 347458129 /nfs/dbraw/zinc/45/81/29/347458129.db2.gz JPCQNJNDRUJAFO-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)oc1C ZINC000616926624 347458131 /nfs/dbraw/zinc/45/81/31/347458131.db2.gz JPCQNJNDRUJAFO-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1coc(C2CC2)n1 ZINC000616927466 347460858 /nfs/dbraw/zinc/46/08/58/347460858.db2.gz JBAFLAHBDVMTMU-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1coc(C2CC2)n1 ZINC000616927466 347460860 /nfs/dbraw/zinc/46/08/60/347460860.db2.gz JBAFLAHBDVMTMU-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCSCCCO ZINC000590576198 347474359 /nfs/dbraw/zinc/47/43/59/347474359.db2.gz BVNKLTSIHGWNJP-UHFFFAOYSA-N 1 2 241.360 1.043 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602794 347476150 /nfs/dbraw/zinc/47/61/50/347476150.db2.gz XJVDDULATIBUOW-LBPRGKRZSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602794 347476153 /nfs/dbraw/zinc/47/61/53/347476153.db2.gz XJVDDULATIBUOW-LBPRGKRZSA-N 1 2 248.326 1.824 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC000590755799 347506159 /nfs/dbraw/zinc/50/61/59/347506159.db2.gz MJGXPFNGXDJLHS-SECBINFHSA-N 1 2 238.262 1.412 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC000590755799 347506163 /nfs/dbraw/zinc/50/61/63/347506163.db2.gz MJGXPFNGXDJLHS-SECBINFHSA-N 1 2 238.262 1.412 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC1(C)C ZINC000616265751 347510587 /nfs/dbraw/zinc/51/05/87/347510587.db2.gz ATUOBVJNAXIFCS-KKZNHRDASA-N 1 2 233.315 1.438 20 0 BDADLO CCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000380128946 365895205 /nfs/dbraw/zinc/89/52/05/365895205.db2.gz WFMHLUDQXADPLC-UHFFFAOYSA-N 1 2 207.277 1.525 20 0 BDADLO C/C=C/C=C/c1nc(Cc2c[nH+]cn2C)no1 ZINC000357941182 187378048 /nfs/dbraw/zinc/37/80/48/187378048.db2.gz DDEOJPPTMQLKBC-VNKDHWASSA-N 1 2 230.271 1.983 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC000616977768 347559559 /nfs/dbraw/zinc/55/95/59/347559559.db2.gz MEXPNVYCXOLNIQ-SECBINFHSA-N 1 2 223.320 1.908 20 0 BDADLO CC[C@H](C)N(CC)C(=O)Cc1c[nH+]cn1C ZINC000616978019 347560577 /nfs/dbraw/zinc/56/05/77/347560577.db2.gz RXCCVZZECBAHHD-JTQLQIEISA-N 1 2 223.320 1.610 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)CCS1 ZINC000590944221 347591605 /nfs/dbraw/zinc/59/16/05/347591605.db2.gz TYSVHVAZOMEHCN-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)CCS1 ZINC000590944221 347591607 /nfs/dbraw/zinc/59/16/07/347591607.db2.gz TYSVHVAZOMEHCN-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cn[nH]c1)C(C)(C)C ZINC000590954457 347593848 /nfs/dbraw/zinc/59/38/48/347593848.db2.gz LGZPZLIKGXPHIX-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO Cc1cn2cc(NC(=O)c3cocn3)ccc2[nH+]1 ZINC000591177171 347624955 /nfs/dbraw/zinc/62/49/55/347624955.db2.gz IJSNHYJRSVWBIG-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO O=C(c1cocn1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591202939 347629923 /nfs/dbraw/zinc/62/99/23/347629923.db2.gz WCUFNVBRFXNCPN-SNVBAGLBSA-N 1 2 246.270 1.348 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2COC(C)(C)C2)c[nH+]1 ZINC000617055113 347675691 /nfs/dbraw/zinc/67/56/91/347675691.db2.gz PYUZUSJQKMTUGG-MRVPVSSYSA-N 1 2 223.276 1.015 20 0 BDADLO CSC[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000591673080 347684515 /nfs/dbraw/zinc/68/45/15/347684515.db2.gz KXGYFOVIUSWFKA-XPUUQOCRSA-N 1 2 245.373 1.011 20 0 BDADLO Cc1ccccc1C[NH2+][C@]1(C)CCOC1=O ZINC000289627116 179284052 /nfs/dbraw/zinc/28/40/52/179284052.db2.gz RSFKYUIMPZWSPR-CYBMUJFWSA-N 1 2 219.284 1.790 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592365510 347775095 /nfs/dbraw/zinc/77/50/95/347775095.db2.gz WCBQUWBMNHCPEP-GARJFASQSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1=CCCC1)C1CC1 ZINC000592111271 347735338 /nfs/dbraw/zinc/73/53/38/347735338.db2.gz JWYNBSFYXWUASR-LLVKDONJSA-N 1 2 209.289 1.638 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593099162 347856155 /nfs/dbraw/zinc/85/61/55/347856155.db2.gz IAOXISHLZIYWLC-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593099162 347856157 /nfs/dbraw/zinc/85/61/57/347856157.db2.gz IAOXISHLZIYWLC-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000577313863 365923128 /nfs/dbraw/zinc/92/31/28/365923128.db2.gz ZRRFRAKRSVRSBZ-ZDUSSCGKSA-N 1 2 235.331 1.611 20 0 BDADLO CCc1cnc(CNC(=O)/C=C/c2[nH]cc[nH+]2)o1 ZINC000493526232 347867579 /nfs/dbraw/zinc/86/75/79/347867579.db2.gz RBOLFLYYYCLCNC-ONEGZZNKSA-N 1 2 246.270 1.290 20 0 BDADLO CCO[C@H](CC)C(=O)Nc1cc[nH+]cc1C ZINC000593274976 347876989 /nfs/dbraw/zinc/87/69/89/347876989.db2.gz WWQFNENOJCWRNH-LLVKDONJSA-N 1 2 222.288 1.566 20 0 BDADLO FC(F)O[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000679741711 488365609 /nfs/dbraw/zinc/36/56/09/488365609.db2.gz ZKCWOGRXJUVJSC-VIFPVBQESA-N 1 2 231.246 1.613 20 0 BDADLO FC(F)O[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000679741711 488365611 /nfs/dbraw/zinc/36/56/11/488365611.db2.gz ZKCWOGRXJUVJSC-VIFPVBQESA-N 1 2 231.246 1.613 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2c1CCC2 ZINC000593566549 347911924 /nfs/dbraw/zinc/91/19/24/347911924.db2.gz KBJINXJNCMCJDH-UHFFFAOYSA-N 1 2 233.311 1.780 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2c1CCC2 ZINC000593566549 347911929 /nfs/dbraw/zinc/91/19/29/347911929.db2.gz KBJINXJNCMCJDH-UHFFFAOYSA-N 1 2 233.311 1.780 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C)C(=O)OC ZINC000593625079 347917147 /nfs/dbraw/zinc/91/71/47/347917147.db2.gz IMOCOTCQSZTZCI-TUAOUCFPSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(N)=O ZINC000369181523 187384402 /nfs/dbraw/zinc/38/44/02/187384402.db2.gz ZWCFNCMLVOSNDC-JTNHKYCSSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC(N)=O ZINC000369181523 187384404 /nfs/dbraw/zinc/38/44/04/187384404.db2.gz ZWCFNCMLVOSNDC-JTNHKYCSSA-N 1 2 248.326 1.322 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000594615538 348083949 /nfs/dbraw/zinc/08/39/49/348083949.db2.gz WFDWGXDUKABADC-YIZRAAEISA-N 1 2 217.334 1.422 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)Nc1c[nH+]cc(C)c1 ZINC000594948634 348146766 /nfs/dbraw/zinc/14/67/66/348146766.db2.gz ARGODFLKJFMHKP-ZMLRMANQSA-N 1 2 234.299 2.000 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000122285791 187387478 /nfs/dbraw/zinc/38/74/78/187387478.db2.gz UBCCKCZFWYRAGF-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO CCCN(CC(=O)OCC)Cc1cn(C)c[nH+]1 ZINC000595294869 348215280 /nfs/dbraw/zinc/21/52/80/348215280.db2.gz SQLHVFMKIQJVLY-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO Cc1cccnc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000267328635 179366843 /nfs/dbraw/zinc/36/68/43/179366843.db2.gz HGUSBUWYUZAOLY-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO Cc1nc(NCCOCC(F)(F)F)cc[nH+]1 ZINC000082627717 348190444 /nfs/dbraw/zinc/19/04/44/348190444.db2.gz PNRFAQDIQGPXFR-UHFFFAOYSA-N 1 2 235.209 1.776 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000595287035 348212394 /nfs/dbraw/zinc/21/23/94/348212394.db2.gz JZGKMFSZQJLBPT-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](OC)C1CCCC1 ZINC000595287035 348212396 /nfs/dbraw/zinc/21/23/96/348212396.db2.gz JZGKMFSZQJLBPT-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093173056 179375895 /nfs/dbraw/zinc/37/58/95/179375895.db2.gz NPNWLFWWIYLRSD-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cccnc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000093173056 179375898 /nfs/dbraw/zinc/37/58/98/179375898.db2.gz NPNWLFWWIYLRSD-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO COCC1(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493854150 348269489 /nfs/dbraw/zinc/26/94/89/348269489.db2.gz MOORFRDWKLIWRZ-NSCUHMNNSA-N 1 2 249.314 1.356 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000595531734 348273866 /nfs/dbraw/zinc/27/38/66/348273866.db2.gz KBSQURUWQFQMSW-MDZLAQPJSA-N 1 2 243.347 1.326 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ncc[nH]1 ZINC000531333417 348295922 /nfs/dbraw/zinc/29/59/22/348295922.db2.gz POGQRWLKJKVUDW-GFCCVEGCSA-N 1 2 231.299 1.541 20 0 BDADLO CSCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000595665316 348301897 /nfs/dbraw/zinc/30/18/97/348301897.db2.gz SFTMATGOCKNZPL-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CSCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000595665316 348301900 /nfs/dbraw/zinc/30/19/00/348301900.db2.gz SFTMATGOCKNZPL-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1nncn1C ZINC000419280115 192122595 /nfs/dbraw/zinc/12/25/95/192122595.db2.gz ONVGEIDJGDFRNI-LLVKDONJSA-N 1 2 240.351 1.308 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1nncn1C ZINC000419280115 192122597 /nfs/dbraw/zinc/12/25/97/192122597.db2.gz ONVGEIDJGDFRNI-LLVKDONJSA-N 1 2 240.351 1.308 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ncccc1C ZINC000595683913 348312274 /nfs/dbraw/zinc/31/22/74/348312274.db2.gz ULZOORHTGIHLBP-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ncccc1C ZINC000595683913 348312275 /nfs/dbraw/zinc/31/22/75/348312275.db2.gz ULZOORHTGIHLBP-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000595849121 348356147 /nfs/dbraw/zinc/35/61/47/348356147.db2.gz BBWZVIIXFMYIDF-JGZJWPJOSA-N 1 2 238.287 1.366 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000595849121 348356149 /nfs/dbraw/zinc/35/61/49/348356149.db2.gz BBWZVIIXFMYIDF-JGZJWPJOSA-N 1 2 238.287 1.366 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623494574 362918975 /nfs/dbraw/zinc/91/89/75/362918975.db2.gz UWCHEWPXXSYILI-UHFFFAOYSA-N 1 2 241.241 1.280 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC2CC1(C)C2 ZINC000595917265 348400383 /nfs/dbraw/zinc/40/03/83/348400383.db2.gz YLZOWFCTLBEVGE-KHJSKFAYSA-N 1 2 246.310 1.780 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC2CC1(C)C2 ZINC000595917265 348400385 /nfs/dbraw/zinc/40/03/85/348400385.db2.gz YLZOWFCTLBEVGE-KHJSKFAYSA-N 1 2 246.310 1.780 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000596045584 348428914 /nfs/dbraw/zinc/42/89/14/348428914.db2.gz KHRKMWCIQGTOST-JGVFFNPUSA-N 1 2 235.274 1.819 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC[C@H](C)OC)c1 ZINC000596205134 348465796 /nfs/dbraw/zinc/46/57/96/348465796.db2.gz ZJVSWYKBHXQQCL-VIFPVBQESA-N 1 2 238.287 1.244 20 0 BDADLO COC(=O)c1cnc(N[C@H](C)c2[nH]cc[nH+]2)nc1 ZINC000596238551 348483132 /nfs/dbraw/zinc/48/31/32/348483132.db2.gz VFVPJSZNPHLMFM-SSDOTTSWSA-N 1 2 247.258 1.159 20 0 BDADLO COC[C@H](CSCCn1cc[nH+]c1)OC ZINC000596392508 348532169 /nfs/dbraw/zinc/53/21/69/348532169.db2.gz FUQKFLUVHHANMD-SNVBAGLBSA-N 1 2 230.333 1.278 20 0 BDADLO COC(=O)[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000596554111 348577159 /nfs/dbraw/zinc/57/71/59/348577159.db2.gz DRVCBEBYNPFQAX-MGCOHNPYSA-N 1 2 247.298 1.139 20 0 BDADLO Cc1cnc(C[NH+]2CCC(C)(O)CC2)nc1 ZINC000336705460 179590240 /nfs/dbraw/zinc/59/02/40/179590240.db2.gz QMPVCQWNYWCUHO-UHFFFAOYSA-N 1 2 221.304 1.132 20 0 BDADLO CCOC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000627375034 348777363 /nfs/dbraw/zinc/77/73/63/348777363.db2.gz KCLCKXQFRWGLKB-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO CCOC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000627375034 348777365 /nfs/dbraw/zinc/77/73/65/348777365.db2.gz KCLCKXQFRWGLKB-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(Cl)o2)nn1 ZINC000308862247 348909388 /nfs/dbraw/zinc/90/93/88/348909388.db2.gz BXQSIRRTJNQHGJ-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H](C)CO ZINC000121239911 179709696 /nfs/dbraw/zinc/70/96/96/179709696.db2.gz HOIBVHDKRFHJDH-ZJUUUORDSA-N 1 2 237.303 1.528 20 0 BDADLO CC(C)SCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598459852 348977228 /nfs/dbraw/zinc/97/72/28/348977228.db2.gz OIGXUBFXYDXFIZ-SECBINFHSA-N 1 2 241.360 1.739 20 0 BDADLO CC[C@H](SC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464971 348977926 /nfs/dbraw/zinc/97/79/26/348977926.db2.gz MNEGKTOXQXEJMQ-IUCAKERBSA-N 1 2 241.360 1.739 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465301 348978328 /nfs/dbraw/zinc/97/83/28/348978328.db2.gz PKZAZPLWEBJODH-IUCAKERBSA-N 1 2 241.360 1.739 20 0 BDADLO Cc1cc(C)cc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000331101929 187406498 /nfs/dbraw/zinc/40/64/98/187406498.db2.gz GMWYABLQSOJQQL-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000598997110 349073799 /nfs/dbraw/zinc/07/37/99/349073799.db2.gz VZUYNVLPUHBGPP-UHFFFAOYSA-N 1 2 246.257 1.936 20 0 BDADLO c1cn(CCCc2nc(C3CC3)no2)c[nH+]1 ZINC000603633802 350002215 /nfs/dbraw/zinc/00/22/15/350002215.db2.gz YUDXGNNKFMXDPC-UHFFFAOYSA-N 1 2 218.260 1.776 20 0 BDADLO C[C@@H](CC(=O)Nc1nccs1)n1cc[nH+]c1 ZINC000015734479 349085573 /nfs/dbraw/zinc/08/55/73/349085573.db2.gz QVMAPWGFUYOMAW-QMMMGPOBSA-N 1 2 236.300 1.929 20 0 BDADLO CCOC(=O)[C@H](C)CNc1[nH+]cccc1OC ZINC000599062449 349086495 /nfs/dbraw/zinc/08/64/95/349086495.db2.gz QMLKJQJQMAZECK-SECBINFHSA-N 1 2 238.287 1.701 20 0 BDADLO Cc1nccc(NCCCCn2cc[nH+]c2)n1 ZINC000054936411 349089031 /nfs/dbraw/zinc/08/90/31/349089031.db2.gz NVNDOZQZDBNYSH-UHFFFAOYSA-N 1 2 231.303 1.874 20 0 BDADLO CC(C)SCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943307 349063021 /nfs/dbraw/zinc/06/30/21/349063021.db2.gz GSCOTIVZZQSUJH-VIFPVBQESA-N 1 2 239.344 1.066 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H](C)CCOC)C(=O)OCC ZINC000432920013 192381699 /nfs/dbraw/zinc/38/16/99/192381699.db2.gz YETGJMKCZLCKAJ-RAUBUVQISA-N 1 2 243.347 1.899 20 0 BDADLO CCO[C@@H](C[NH2+][C@@](C)(CC)C(=O)OC)C1CC1 ZINC000599351565 349155992 /nfs/dbraw/zinc/15/59/92/349155992.db2.gz GOQSYBAZCNQDLF-AAEUAGOBSA-N 1 2 243.347 1.733 20 0 BDADLO CCO[C@@H](C[NH2+][C@H](C(=O)OC)C(C)C)C1CC1 ZINC000599359779 349159271 /nfs/dbraw/zinc/15/92/71/349159271.db2.gz UQTQJFAYKWJYFB-RYUDHWBXSA-N 1 2 243.347 1.589 20 0 BDADLO CCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000252769924 349213401 /nfs/dbraw/zinc/21/34/01/349213401.db2.gz KTKSDJMRONUUMO-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO CCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000252769924 349213404 /nfs/dbraw/zinc/21/34/04/349213404.db2.gz KTKSDJMRONUUMO-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CO[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000253360565 349233030 /nfs/dbraw/zinc/23/30/30/349233030.db2.gz AHFFNVISZXNZMM-IWSPIJDZSA-N 1 2 223.276 1.012 20 0 BDADLO COC(=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599649016 349233409 /nfs/dbraw/zinc/23/34/09/349233409.db2.gz MTHBGSXRNKPDSV-UHFFFAOYSA-N 1 2 245.319 1.259 20 0 BDADLO Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)nc[nH+]1 ZINC000599833525 349263174 /nfs/dbraw/zinc/26/31/74/349263174.db2.gz QHUXDJIFXDHWME-JTQLQIEISA-N 1 2 234.303 1.206 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333873028 538037206 /nfs/dbraw/zinc/03/72/06/538037206.db2.gz UYEUGKZLXHQWQS-IMSYWVGJSA-N 1 2 234.303 1.597 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)C1CC1 ZINC000601940380 349392577 /nfs/dbraw/zinc/39/25/77/349392577.db2.gz MDGSHLQESZCIBZ-GHMZBOCLSA-N 1 2 241.331 1.343 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncnc2c1CCC2 ZINC000061277166 349373832 /nfs/dbraw/zinc/37/38/32/349373832.db2.gz YXODEVFQRUSMCF-SNVBAGLBSA-N 1 2 243.314 1.662 20 0 BDADLO O=C(COCC1CC1)Nc1ccc2[nH+]ccn2c1 ZINC000603785279 350033059 /nfs/dbraw/zinc/03/30/59/350033059.db2.gz JBJHQTBKCOXEBZ-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCC(=O)[C@H](C)C2)o1 ZINC000311973952 350078498 /nfs/dbraw/zinc/07/84/98/350078498.db2.gz BTRITSOZZLPVSC-SECBINFHSA-N 1 2 236.315 1.956 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCC(=O)[C@H](C)C2)o1 ZINC000311973952 350078502 /nfs/dbraw/zinc/07/85/02/350078502.db2.gz BTRITSOZZLPVSC-SECBINFHSA-N 1 2 236.315 1.956 20 0 BDADLO O=C(c1ccco1)N1CC(n2cc[nH+]c2)C1 ZINC000603813671 350037362 /nfs/dbraw/zinc/03/73/62/350037362.db2.gz YDFPWUYWNCIUDR-UHFFFAOYSA-N 1 2 217.228 1.173 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccnc(C)n1 ZINC000603911628 350050384 /nfs/dbraw/zinc/05/03/84/350050384.db2.gz CCRPAVSFSAIXIM-UHFFFAOYSA-N 1 2 242.282 1.417 20 0 BDADLO Cc1nc(NC(=O)c2ccc3c[nH+]cn3c2)n[nH]1 ZINC000339923638 180013071 /nfs/dbraw/zinc/01/30/71/180013071.db2.gz LVPBLPIWQZWMNC-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO Cc1nnc(NC(=O)c2ccc3c[nH+]cn3c2)[nH]1 ZINC000339923638 180013073 /nfs/dbraw/zinc/01/30/73/180013073.db2.gz LVPBLPIWQZWMNC-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C(N)=O)C(C)C)[nH+]1 ZINC000339222167 180022165 /nfs/dbraw/zinc/02/21/65/180022165.db2.gz VEHIDSPSZQVFDB-SECBINFHSA-N 1 2 247.302 1.188 20 0 BDADLO Cc1nc(N(C)C[C@H](C)O)c2c([nH+]1)CCCC2 ZINC000292255740 180067731 /nfs/dbraw/zinc/06/77/31/180067731.db2.gz HOCFBWZRLSJBIP-VIFPVBQESA-N 1 2 235.331 1.481 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000333168887 180032640 /nfs/dbraw/zinc/03/26/40/180032640.db2.gz PIIARFJBPXHVKS-PSASIEDQSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000333168887 180032641 /nfs/dbraw/zinc/03/26/41/180032641.db2.gz PIIARFJBPXHVKS-PSASIEDQSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)no1 ZINC000361589927 180034751 /nfs/dbraw/zinc/03/47/51/180034751.db2.gz IHGAHOCBBFDDOB-MWLCHTKSSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)no1 ZINC000361589927 180034756 /nfs/dbraw/zinc/03/47/56/180034756.db2.gz IHGAHOCBBFDDOB-MWLCHTKSSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CC(=O)NC(C)C)cs1 ZINC000036915637 180035149 /nfs/dbraw/zinc/03/51/49/180035149.db2.gz OXEZMYIOCYUVKV-MRVPVSSYSA-N 1 2 241.360 1.627 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329739280 180045569 /nfs/dbraw/zinc/04/55/69/180045569.db2.gz UTLYQIREPITEDI-ZJUUUORDSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329739280 180045573 /nfs/dbraw/zinc/04/55/73/180045573.db2.gz UTLYQIREPITEDI-ZJUUUORDSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)no1 ZINC000352351400 180046933 /nfs/dbraw/zinc/04/69/33/180046933.db2.gz XSPPRMKCCBDVRN-CBAPKCEASA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)no1 ZINC000352351400 180046936 /nfs/dbraw/zinc/04/69/36/180046936.db2.gz XSPPRMKCCBDVRN-CBAPKCEASA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000331700348 180047056 /nfs/dbraw/zinc/04/70/56/180047056.db2.gz ZISFGQHLERZESH-JOYOIKCWSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000331700348 180047057 /nfs/dbraw/zinc/04/70/57/180047057.db2.gz ZISFGQHLERZESH-JOYOIKCWSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000330263196 180047964 /nfs/dbraw/zinc/04/79/64/180047964.db2.gz WEVULTYWBWJNSO-JOYOIKCWSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000330263196 180047966 /nfs/dbraw/zinc/04/79/66/180047966.db2.gz WEVULTYWBWJNSO-JOYOIKCWSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)Cn2cccn2)no1 ZINC000278575547 180051538 /nfs/dbraw/zinc/05/15/38/180051538.db2.gz JQLAVPCUMMQLJP-BDAKNGLRSA-N 1 2 235.291 1.314 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)no1 ZINC000336739920 180051738 /nfs/dbraw/zinc/05/17/38/180051738.db2.gz LUQSPRBPHORUCA-OYNCUSHFSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2CCCCO)no1 ZINC000363474840 180054956 /nfs/dbraw/zinc/05/49/56/180054956.db2.gz LBBOAQQGHVZHFM-LLVKDONJSA-N 1 2 239.319 1.678 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2CCCCO)no1 ZINC000363474840 180054957 /nfs/dbraw/zinc/05/49/57/180054957.db2.gz LBBOAQQGHVZHFM-LLVKDONJSA-N 1 2 239.319 1.678 20 0 BDADLO Cc1c[nH]c(CNCC(F)(F)C(F)F)[nH+]1 ZINC000623532010 362950733 /nfs/dbraw/zinc/95/07/33/362950733.db2.gz XRAVNQNSJLYBNV-UHFFFAOYSA-N 1 2 225.189 1.708 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(F)(F)F ZINC000426163771 191027804 /nfs/dbraw/zinc/02/78/04/191027804.db2.gz WUZIOERLUDOFCS-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(F)(F)F ZINC000426163771 191027806 /nfs/dbraw/zinc/02/78/06/191027806.db2.gz WUZIOERLUDOFCS-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO CCC[C@](C)([NH2+]CCCF)C(=O)OC ZINC000132375067 191030596 /nfs/dbraw/zinc/03/05/96/191030596.db2.gz ZFVFQUMDMFZONY-JTQLQIEISA-N 1 2 205.273 1.667 20 0 BDADLO Cc1nc(N[C@H](C)CO)c2c([nH+]1)CCCC2 ZINC000272929769 180069877 /nfs/dbraw/zinc/06/98/77/180069877.db2.gz VIFUQPQTYAHHGQ-MRVPVSSYSA-N 1 2 221.304 1.457 20 0 BDADLO CCCOCC(=O)Nc1cc[nH+]c(C)c1 ZINC000132344576 191032135 /nfs/dbraw/zinc/03/21/35/191032135.db2.gz HJYUDAVTHDJNQD-UHFFFAOYSA-N 1 2 208.261 1.755 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C[C@H]1CC[C@@H](C)O1)C2 ZINC000364331604 180108230 /nfs/dbraw/zinc/10/82/30/180108230.db2.gz KZCSDIFJDBOHQJ-ZWNOBZJWSA-N 1 2 249.358 1.883 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000339092491 180143687 /nfs/dbraw/zinc/14/36/87/180143687.db2.gz UQFVCPLSQKAYJY-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000339092491 180143690 /nfs/dbraw/zinc/14/36/90/180143690.db2.gz UQFVCPLSQKAYJY-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ncc(C[NH+]2CC(n3ccnn3)C2)s1 ZINC000376504813 180141038 /nfs/dbraw/zinc/14/10/38/180141038.db2.gz ITAPFQQFVXDKMN-UHFFFAOYSA-N 1 2 235.316 1.100 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333399495 180118556 /nfs/dbraw/zinc/11/85/56/180118556.db2.gz FLPNPFJRLFDXKL-ILWJIGKKSA-N 1 2 219.288 1.175 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333399495 180118562 /nfs/dbraw/zinc/11/85/62/180118562.db2.gz FLPNPFJRLFDXKL-ILWJIGKKSA-N 1 2 219.288 1.175 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1c(O)cccc1F ZINC000336492032 180119473 /nfs/dbraw/zinc/11/94/73/180119473.db2.gz AGSSMGMBXCHAKH-UHFFFAOYSA-N 1 2 249.245 1.493 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000408118999 180120680 /nfs/dbraw/zinc/12/06/80/180120680.db2.gz ZEEHNHKUYKOKBX-WPRPVWTQSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC000336440361 180120767 /nfs/dbraw/zinc/12/07/67/180120767.db2.gz GRDKPCSHZUVXBO-SCZZXKLOSA-N 1 2 221.304 1.771 20 0 BDADLO Cc1ncc(C(=O)NC2C[NH+](C(C)C)C2)s1 ZINC000297130463 180128208 /nfs/dbraw/zinc/12/82/08/180128208.db2.gz PTYOOTSMHACODJ-UHFFFAOYSA-N 1 2 239.344 1.274 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000352404850 180146319 /nfs/dbraw/zinc/14/63/19/180146319.db2.gz DWONEULKZJIDMN-IINYFYTJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000352404850 180146322 /nfs/dbraw/zinc/14/63/22/180146322.db2.gz DWONEULKZJIDMN-IINYFYTJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cnc[nH]2)s1 ZINC000054765184 180151481 /nfs/dbraw/zinc/15/14/81/180151481.db2.gz KEHAVXZZWHRLTK-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1nc(N2CC[C@@](O)(C3CC3)C2)cc[nH+]1 ZINC000377467840 180195084 /nfs/dbraw/zinc/19/50/84/180195084.db2.gz KJJMFWSYNWMLDB-LBPRGKRZSA-N 1 2 219.288 1.136 20 0 BDADLO Cc1nc(NCCC2(O)CCC2)cc[nH+]1 ZINC000286678133 180198650 /nfs/dbraw/zinc/19/86/50/180198650.db2.gz IJPSTRSOGLVEOR-UHFFFAOYSA-N 1 2 207.277 1.502 20 0 BDADLO Cc1nc(NCCC(=O)N2CCCCC2)cc[nH+]1 ZINC000134778872 180198753 /nfs/dbraw/zinc/19/87/53/180198753.db2.gz UHPFKDVZMDWUOR-UHFFFAOYSA-N 1 2 248.330 1.600 20 0 BDADLO Cc1nc(NCCc2nccs2)cc[nH+]1 ZINC000063134509 180200740 /nfs/dbraw/zinc/20/07/40/180200740.db2.gz TXIJPVPOWCFWKH-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO Cc1nc(NCCn2cccc2)cc[nH+]1 ZINC000267275379 180200773 /nfs/dbraw/zinc/20/07/73/180200773.db2.gz NOAXLISTBGPZRV-UHFFFAOYSA-N 1 2 202.261 1.699 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000084233814 180200927 /nfs/dbraw/zinc/20/09/27/180200927.db2.gz FKTVYBNLDSRDFY-VHSXEESVSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(N[C@@H]2CCCOCC2)cc[nH+]1 ZINC000271903576 180203013 /nfs/dbraw/zinc/20/30/13/180203013.db2.gz QTYGQOBEVORDMC-SNVBAGLBSA-N 1 2 207.277 1.766 20 0 BDADLO Cc1nc(N[C@@H](CO)CC2CCC2)cc[nH+]1 ZINC000280176383 180203025 /nfs/dbraw/zinc/20/30/25/180203025.db2.gz HPTPSVMCXXYPIT-LLVKDONJSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)cc[nH+]1 ZINC000374510593 180203250 /nfs/dbraw/zinc/20/32/50/180203250.db2.gz VOHJWHBNEQXVRR-DGCLKSJQSA-N 1 2 249.314 1.535 20 0 BDADLO Cc1nc(N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc[nH+]1 ZINC000376487405 180203642 /nfs/dbraw/zinc/20/36/42/180203642.db2.gz WCRXQYTUQWSVAT-MFKMUULPSA-N 1 2 246.314 1.254 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H](CO)CC2)cc[nH+]1 ZINC000133553390 180204946 /nfs/dbraw/zinc/20/49/46/180204946.db2.gz RHNCZWMEVQASFT-PHIMTYICSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@H](CO)CC2CCC2)cc[nH+]1 ZINC000280176385 180205558 /nfs/dbraw/zinc/20/55/58/180205558.db2.gz HPTPSVMCXXYPIT-NSHDSACASA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@H](C)c2nc[nH]n2)cc[nH+]1 ZINC000226500189 180206045 /nfs/dbraw/zinc/20/60/45/180206045.db2.gz FHABBWUZFIBEIZ-ZCFIWIBFSA-N 1 2 204.237 1.076 20 0 BDADLO Cc1nc(N[C@H](C)CC[S@](C)=O)cc[nH+]1 ZINC000130268000 180206396 /nfs/dbraw/zinc/20/63/96/180206396.db2.gz PIXCZIAOONOXSK-ANRSDYALSA-N 1 2 227.333 1.354 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000340980759 180181306 /nfs/dbraw/zinc/18/13/06/180181306.db2.gz YNEAAZOCLXZNSZ-VXGBXAGGSA-N 1 2 235.331 1.418 20 0 BDADLO Cc1nc(N[C@H](C)[C@@H]2CCCOC2)cc[nH+]1 ZINC000336678523 180181604 /nfs/dbraw/zinc/18/16/04/180181604.db2.gz BTMVRLJLIVDMSB-MWLCHTKSSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1nc(NCCOc2ccc(F)cc2)cc[nH+]1 ZINC000360517860 180181942 /nfs/dbraw/zinc/18/19/42/180181942.db2.gz MTROQQNAYSQTOH-UHFFFAOYSA-N 1 2 247.273 1.837 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccnc1C ZINC000286056871 180216511 /nfs/dbraw/zinc/21/65/11/180216511.db2.gz KMFYGUVGQKXMTK-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1ncccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000120370372 180218147 /nfs/dbraw/zinc/21/81/47/180218147.db2.gz CJQNTJZCNYYJDG-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ncccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000120370372 180218148 /nfs/dbraw/zinc/21/81/48/180218148.db2.gz CJQNTJZCNYYJDG-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1[nH+]cccc1N[C@@H]1CCCS(=O)(=O)C1 ZINC000085726704 180226921 /nfs/dbraw/zinc/22/69/21/180226921.db2.gz UTGFIRRMSACIPX-SNVBAGLBSA-N 1 2 240.328 1.379 20 0 in-vitro BDADLO COCc1nc(C[NH2+]CC2(F)CC2)cs1 ZINC000309083708 323314821 /nfs/dbraw/zinc/31/48/21/323314821.db2.gz UGDOHKPSTRONRV-UHFFFAOYSA-N 1 2 230.308 1.881 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cc[nH]n1 ZINC000179429835 180312438 /nfs/dbraw/zinc/31/24/38/180312438.db2.gz DZKMWWAMKLUZSE-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000179429835 180312439 /nfs/dbraw/zinc/31/24/39/180312439.db2.gz DZKMWWAMKLUZSE-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000289968611 180316014 /nfs/dbraw/zinc/31/60/14/180316014.db2.gz YXRYLIDRXPYNQU-NSHDSACASA-N 1 2 244.335 1.748 20 0 BDADLO Cc1ncsc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000289968611 180316016 /nfs/dbraw/zinc/31/60/16/180316016.db2.gz YXRYLIDRXPYNQU-NSHDSACASA-N 1 2 244.335 1.748 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000606540878 350357202 /nfs/dbraw/zinc/35/72/02/350357202.db2.gz PFTCPYFAWCOSJB-QMMMGPOBSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000606540878 350357208 /nfs/dbraw/zinc/35/72/08/350357208.db2.gz PFTCPYFAWCOSJB-QMMMGPOBSA-N 1 2 239.344 1.884 20 0 BDADLO Cc1ncsc1CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368633686 180308879 /nfs/dbraw/zinc/30/88/79/180308879.db2.gz BUNHAGVVPTZFQD-VHSXEESVSA-N 1 2 224.329 1.467 20 0 BDADLO Cc1ncsc1CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368633686 180308881 /nfs/dbraw/zinc/30/88/81/180308881.db2.gz BUNHAGVVPTZFQD-VHSXEESVSA-N 1 2 224.329 1.467 20 0 BDADLO CC[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)OC ZINC000427923847 191100616 /nfs/dbraw/zinc/10/06/16/191100616.db2.gz OHHIZDYZYHMRER-VIFPVBQESA-N 1 2 239.319 1.229 20 0 BDADLO Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000126904117 490511156 /nfs/dbraw/zinc/51/11/56/490511156.db2.gz WRHJWZUHZBYUPK-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000617214409 350384308 /nfs/dbraw/zinc/38/43/08/350384308.db2.gz UYGCHQRAEIPZGT-CABZTGNLSA-N 1 2 219.288 1.319 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000617214409 350384312 /nfs/dbraw/zinc/38/43/12/350384312.db2.gz UYGCHQRAEIPZGT-CABZTGNLSA-N 1 2 219.288 1.319 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000617214533 350384817 /nfs/dbraw/zinc/38/48/17/350384817.db2.gz WDPNKMNJEMGFCJ-CABZTGNLSA-N 1 2 219.288 1.021 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000617215325 350385371 /nfs/dbraw/zinc/38/53/71/350385371.db2.gz BXXXEOKOQFKEDU-BHDSKKPTSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000617215325 350385372 /nfs/dbraw/zinc/38/53/72/350385372.db2.gz BXXXEOKOQFKEDU-BHDSKKPTSA-N 1 2 245.326 1.573 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282799728 180317082 /nfs/dbraw/zinc/31/70/82/180317082.db2.gz RUNUORRWDGFBHT-MRVPVSSYSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282799728 180317083 /nfs/dbraw/zinc/31/70/83/180317083.db2.gz RUNUORRWDGFBHT-MRVPVSSYSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncc(C[NH+]2CC(C(F)F)C2)o1 ZINC000628306907 350435454 /nfs/dbraw/zinc/43/54/54/350435454.db2.gz CVNJEQXLDDFABL-UHFFFAOYSA-N 1 2 202.204 1.680 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000106936746 180349010 /nfs/dbraw/zinc/34/90/10/180349010.db2.gz ADCSERIZKSBHAV-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000106936746 180349012 /nfs/dbraw/zinc/34/90/12/180349012.db2.gz ADCSERIZKSBHAV-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000069862418 350425048 /nfs/dbraw/zinc/42/50/48/350425048.db2.gz IMDWCVVGJHMWKK-HBNTYKKESA-N 1 2 229.320 1.341 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCOC1 ZINC000336698644 350453102 /nfs/dbraw/zinc/45/31/02/350453102.db2.gz JDEHSSPRDXBZTA-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCOC1 ZINC000336698644 350453106 /nfs/dbraw/zinc/45/31/06/350453106.db2.gz JDEHSSPRDXBZTA-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nc(C[N@H+](C[C@@H](C)OC)C(C)C)no1 ZINC000336715666 350469964 /nfs/dbraw/zinc/46/99/64/350469964.db2.gz ULPDJORBMFZYMF-SNVBAGLBSA-N 1 2 241.335 1.877 20 0 BDADLO CCc1nc(C[N@@H+](C[C@@H](C)OC)C(C)C)no1 ZINC000336715666 350469969 /nfs/dbraw/zinc/46/99/69/350469969.db2.gz ULPDJORBMFZYMF-SNVBAGLBSA-N 1 2 241.335 1.877 20 0 BDADLO C[C@@H](CC(=O)NCc1ccccn1)n1cc[nH+]c1 ZINC000577496241 365969389 /nfs/dbraw/zinc/96/93/89/365969389.db2.gz GXARTHSONODFHV-NSHDSACASA-N 1 2 244.298 1.546 20 0 BDADLO O=C(Cc1ccco1)NCCNc1cccc[nH+]1 ZINC000340564182 538095763 /nfs/dbraw/zinc/09/57/63/538095763.db2.gz WIMOREBUTMATBN-UHFFFAOYSA-N 1 2 245.282 1.445 20 0 BDADLO C/C=C/CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000637488611 350651182 /nfs/dbraw/zinc/65/11/82/350651182.db2.gz RFVDDVUXWUAZSD-KXMPLOMGSA-N 1 2 248.330 1.875 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1Cc1nsc(N(C)C)n1 ZINC000156863456 191116218 /nfs/dbraw/zinc/11/62/18/191116218.db2.gz MATVZZKMJOSGNP-IUCAKERBSA-N 1 2 240.376 1.977 20 0 BDADLO OCCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936916 350629501 /nfs/dbraw/zinc/62/95/01/350629501.db2.gz QORGSSJSSDWQAC-VIFPVBQESA-N 1 2 241.253 1.412 20 0 BDADLO OCCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936916 350629502 /nfs/dbraw/zinc/62/95/02/350629502.db2.gz QORGSSJSSDWQAC-VIFPVBQESA-N 1 2 241.253 1.412 20 0 BDADLO CCc1cnc(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000354159868 350631257 /nfs/dbraw/zinc/63/12/57/350631257.db2.gz WFDPSDAEQLUJSY-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO Cc1cnn(C)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000617277764 350664612 /nfs/dbraw/zinc/66/46/12/350664612.db2.gz PTJBMZHCBUKGAC-SNVBAGLBSA-N 1 2 247.302 1.515 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000335670792 538098513 /nfs/dbraw/zinc/09/85/13/538098513.db2.gz KICFGGABDMOMSV-UWVGGRQHSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000335670792 538098516 /nfs/dbraw/zinc/09/85/16/538098516.db2.gz KICFGGABDMOMSV-UWVGGRQHSA-N 1 2 221.304 1.742 20 0 BDADLO CC(C)[C@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000302881815 191120628 /nfs/dbraw/zinc/12/06/28/191120628.db2.gz IFYPOBHWRPJHDU-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)[C@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000302881815 191120630 /nfs/dbraw/zinc/12/06/30/191120630.db2.gz IFYPOBHWRPJHDU-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO CC[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000339091124 350732909 /nfs/dbraw/zinc/73/29/09/350732909.db2.gz NDRAHKYNAABASN-LLVKDONJSA-N 1 2 235.331 1.754 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOCC2CCC2)n1 ZINC000360510015 180499044 /nfs/dbraw/zinc/49/90/44/180499044.db2.gz UIQHTVXDPNMZPX-VIFPVBQESA-N 1 2 239.319 1.845 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000051736751 350815535 /nfs/dbraw/zinc/81/55/35/350815535.db2.gz HEQVMSLZJKFPPG-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000051736751 350815538 /nfs/dbraw/zinc/81/55/38/350815538.db2.gz HEQVMSLZJKFPPG-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@H+](Cc1nc(C(C)C)no1)[C@@H](C)CO ZINC000339631814 350770718 /nfs/dbraw/zinc/77/07/18/350770718.db2.gz XAZDEFMGRRBGEO-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)C)no1)[C@@H](C)CO ZINC000339631814 350770719 /nfs/dbraw/zinc/77/07/19/350770719.db2.gz XAZDEFMGRRBGEO-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cnc(C)o2)n1 ZINC000628310075 350788165 /nfs/dbraw/zinc/78/81/65/350788165.db2.gz MCWXCIANXUSVDP-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccnc(C)n1 ZINC000623083910 350833356 /nfs/dbraw/zinc/83/33/56/350833356.db2.gz SXQCTPCBWJVBCI-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC=CCC1 ZINC000382505291 350849028 /nfs/dbraw/zinc/84/90/28/350849028.db2.gz VKRBIEOHXDPUJG-SNVBAGLBSA-N 1 2 211.305 1.979 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC=CCC1 ZINC000382505291 350849031 /nfs/dbraw/zinc/84/90/31/350849031.db2.gz VKRBIEOHXDPUJG-SNVBAGLBSA-N 1 2 211.305 1.979 20 0 BDADLO CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000563370521 350825912 /nfs/dbraw/zinc/82/59/12/350825912.db2.gz ZRBPBZUQLJUVBB-UHFFFAOYSA-N 1 2 203.245 1.392 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cocn2)[nH]1 ZINC000397979014 350990568 /nfs/dbraw/zinc/99/05/68/350990568.db2.gz QIHHDPVRGALLLU-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cncs2)C1 ZINC000159751912 350994852 /nfs/dbraw/zinc/99/48/52/350994852.db2.gz AZIXJBGHJTZDBO-UHFFFAOYSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@@H]1CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000607144000 350944393 /nfs/dbraw/zinc/94/43/93/350944393.db2.gz WMKSMUXEHRYVBE-SECBINFHSA-N 1 2 215.260 1.261 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000398278871 351018602 /nfs/dbraw/zinc/01/86/02/351018602.db2.gz FGAZLMBUIGEENT-UHFFFAOYSA-N 1 2 234.307 1.046 20 0 BDADLO C[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398323113 351034790 /nfs/dbraw/zinc/03/47/90/351034790.db2.gz NKLKDUGDJDSIQN-NXEZZACHSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398323113 351034791 /nfs/dbraw/zinc/03/47/91/351034791.db2.gz NKLKDUGDJDSIQN-NXEZZACHSA-N 1 2 208.309 1.721 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)c2ccccc2)CC1=O ZINC000259433809 351068696 /nfs/dbraw/zinc/06/86/96/351068696.db2.gz OEJWGQVRMWWHTQ-LBPRGKRZSA-N 1 2 232.327 1.912 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)c2ccccc2)CC1=O ZINC000259433809 351068699 /nfs/dbraw/zinc/06/86/99/351068699.db2.gz OEJWGQVRMWWHTQ-LBPRGKRZSA-N 1 2 232.327 1.912 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000623578656 363011323 /nfs/dbraw/zinc/01/13/23/363011323.db2.gz RGWOWOATAJSKQX-SFYZADRCSA-N 1 2 212.322 1.178 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000623578656 363011326 /nfs/dbraw/zinc/01/13/26/363011326.db2.gz RGWOWOATAJSKQX-SFYZADRCSA-N 1 2 212.322 1.178 20 0 BDADLO COc1cc(F)cc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398384975 351128236 /nfs/dbraw/zinc/12/82/36/351128236.db2.gz INOANKXLAJPWKZ-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO OCC[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC000616636867 351129406 /nfs/dbraw/zinc/12/94/06/351129406.db2.gz HCQSQRCVWMTNPA-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC000616636867 351129408 /nfs/dbraw/zinc/12/94/08/351129408.db2.gz HCQSQRCVWMTNPA-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO Cc1ccccc1C[NH2+]Cc1cnn[nH]1 ZINC000398405137 351137603 /nfs/dbraw/zinc/13/76/03/351137603.db2.gz PTSRKEOVTXDDSV-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1ccccc1C[NH2+]Cc1c[nH]nn1 ZINC000398405137 351137607 /nfs/dbraw/zinc/13/76/07/351137607.db2.gz PTSRKEOVTXDDSV-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1ccccc1C[NH2+]Cc1cn[nH]n1 ZINC000398405137 351137609 /nfs/dbraw/zinc/13/76/09/351137609.db2.gz PTSRKEOVTXDDSV-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2[nH]c(C)c(C)[nH+]2)n1 ZINC000628327759 351264678 /nfs/dbraw/zinc/26/46/78/351264678.db2.gz OOMWADRSIGPULU-SECBINFHSA-N 1 2 249.318 1.911 20 0 BDADLO CN1CC[N@H+](Cc2cnc(C3CC3)o2)CCC1=O ZINC000628341157 351284750 /nfs/dbraw/zinc/28/47/50/351284750.db2.gz DRCZRSVPFJMGTK-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO CN1CC[N@@H+](Cc2cnc(C3CC3)o2)CCC1=O ZINC000628341157 351284752 /nfs/dbraw/zinc/28/47/52/351284752.db2.gz DRCZRSVPFJMGTK-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO CCC[C@@H](CNC(=O)Cn1cc[nH+]c1)OCC ZINC000628341837 351285845 /nfs/dbraw/zinc/28/58/45/351285845.db2.gz UGSSIRARJZANKA-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cc1nc(N[C@H](C)CCC2CC2)nc(N)[nH+]1 ZINC000398147628 363019581 /nfs/dbraw/zinc/01/95/81/363019581.db2.gz CLFKOKKELYVYHV-SSDOTTSWSA-N 1 2 221.308 1.005 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)CCC2CC2)[nH+]1 ZINC000398147628 363019586 /nfs/dbraw/zinc/01/95/86/363019586.db2.gz CLFKOKKELYVYHV-SSDOTTSWSA-N 1 2 221.308 1.005 20 0 BDADLO CCN(Cc1c[nH+]cn1C)CC(F)(F)F ZINC000267580839 351315562 /nfs/dbraw/zinc/31/55/62/351315562.db2.gz GFRBTVPWQDNPFX-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO COc1ccccc1N1CC[NH+](CC(C)=O)CC1 ZINC000034981563 351373566 /nfs/dbraw/zinc/37/35/66/351373566.db2.gz IACUWACVESCEAU-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CCCCc1cc(NCCC[C@@H](C)O)nc[nH+]1 ZINC000631251139 351390843 /nfs/dbraw/zinc/39/08/43/351390843.db2.gz KAZDHPKLIHHADJ-LLVKDONJSA-N 1 2 237.347 1.814 20 0 BDADLO CCCCc1cc(NCCC[C@H](C)O)nc[nH+]1 ZINC000631251153 351391415 /nfs/dbraw/zinc/39/14/15/351391415.db2.gz KAZDHPKLIHHADJ-NSHDSACASA-N 1 2 237.347 1.814 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1ccco1 ZINC000072656751 351340757 /nfs/dbraw/zinc/34/07/57/351340757.db2.gz RTPFDTWCPFUEOB-UHFFFAOYSA-N 1 2 233.271 1.225 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]C2CSC2)s1 ZINC000307012208 351419992 /nfs/dbraw/zinc/41/99/92/351419992.db2.gz KPCRFWBIMDMFIL-YFKPBYRVSA-N 1 2 215.347 1.613 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000185830506 187485343 /nfs/dbraw/zinc/48/53/43/187485343.db2.gz NEWBAYGFPDRVMP-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000337209245 191137193 /nfs/dbraw/zinc/13/71/93/191137193.db2.gz ANJOJWPFSGDYFR-XHDPSFHLSA-N 1 2 233.377 1.112 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000337209245 191137195 /nfs/dbraw/zinc/13/71/95/191137195.db2.gz ANJOJWPFSGDYFR-XHDPSFHLSA-N 1 2 233.377 1.112 20 0 BDADLO CCN1CC[N@H+](Cc2sccc2C)CC1=O ZINC000273533817 351535135 /nfs/dbraw/zinc/53/51/35/351535135.db2.gz VORGOTWHMDPULL-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CCN1CC[N@@H+](Cc2sccc2C)CC1=O ZINC000273533817 351535136 /nfs/dbraw/zinc/53/51/36/351535136.db2.gz VORGOTWHMDPULL-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO Cc1cnc(NC(=O)CCCn2cc[nH+]c2)cn1 ZINC000637674752 351519232 /nfs/dbraw/zinc/51/92/32/351519232.db2.gz BKFWLKDGMUZHSO-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO CCc1cc(NC[C@H](C)COC)nc[nH+]1 ZINC000041674417 351559711 /nfs/dbraw/zinc/55/97/11/351559711.db2.gz VTQVSAWRVBOAPR-VIFPVBQESA-N 1 2 209.293 1.733 20 0 BDADLO Cn1nc2c(c1C[NH+]1CCOCC1)CCCC2 ZINC000637811637 351653234 /nfs/dbraw/zinc/65/32/34/351653234.db2.gz QDPUCENKPIINIM-UHFFFAOYSA-N 1 2 235.331 1.131 20 0 BDADLO Cc1cc(CN2CCc3c([nH+]cn3C)C2)sn1 ZINC000637817134 351657096 /nfs/dbraw/zinc/65/70/96/351657096.db2.gz RAIADFYQAAOZLP-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C(C)C)c1 ZINC000276548063 351631698 /nfs/dbraw/zinc/63/16/98/351631698.db2.gz QAXXAGZDRWHFIT-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO CC(C)n1cnc(C(=O)Nc2ccc(N)[nH+]c2)c1 ZINC000637830565 351680155 /nfs/dbraw/zinc/68/01/55/351680155.db2.gz ZBSFKRGROTWRTC-UHFFFAOYSA-N 1 2 245.286 1.524 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccc(F)cn2)cnn1C ZINC000577703676 366039299 /nfs/dbraw/zinc/03/92/99/366039299.db2.gz LTCMXYLRPXNLNT-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccc(F)cn2)cnn1C ZINC000577703676 366039301 /nfs/dbraw/zinc/03/93/01/366039301.db2.gz LTCMXYLRPXNLNT-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CC[N@@H+](Cc1cocn1)C[C@H]1CCCO1 ZINC000278211326 351750672 /nfs/dbraw/zinc/75/06/72/351750672.db2.gz RFXPIEIQKKOXCJ-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CC[N@H+](Cc1cocn1)C[C@H]1CCCO1 ZINC000278211326 351750677 /nfs/dbraw/zinc/75/06/77/351750677.db2.gz RFXPIEIQKKOXCJ-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637888912 351761094 /nfs/dbraw/zinc/76/10/94/351761094.db2.gz JWSYSZWRXTYBDL-QWHCGFSZSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637888912 351761096 /nfs/dbraw/zinc/76/10/96/351761096.db2.gz JWSYSZWRXTYBDL-QWHCGFSZSA-N 1 2 249.358 1.982 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000577823294 366071470 /nfs/dbraw/zinc/07/14/70/366071470.db2.gz MWSBVKQWQILSRG-DGCLKSJQSA-N 1 2 235.331 1.513 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cccc(O)c1 ZINC000037017394 358466688 /nfs/dbraw/zinc/46/66/88/358466688.db2.gz UNZATPCZYUWKNW-ZJUUUORDSA-N 1 2 246.314 1.933 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)o1 ZINC000124394712 191142525 /nfs/dbraw/zinc/14/25/25/191142525.db2.gz SIFDTZGQYFVNOW-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@](C)(O)C2)o1 ZINC000124394712 191142528 /nfs/dbraw/zinc/14/25/28/191142528.db2.gz SIFDTZGQYFVNOW-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@](C)(O)C2)no1 ZINC000124388328 191142538 /nfs/dbraw/zinc/14/25/38/191142538.db2.gz PCUDNZSFIGVINW-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@](C)(O)C2)no1 ZINC000124388328 191142541 /nfs/dbraw/zinc/14/25/41/191142541.db2.gz PCUDNZSFIGVINW-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccc(C)o1 ZINC000088795691 351873265 /nfs/dbraw/zinc/87/32/65/351873265.db2.gz JCHDNDQEYOBSJR-LBPRGKRZSA-N 1 2 237.299 1.971 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccc(C)o1 ZINC000088795691 351873267 /nfs/dbraw/zinc/87/32/67/351873267.db2.gz JCHDNDQEYOBSJR-LBPRGKRZSA-N 1 2 237.299 1.971 20 0 BDADLO Cc1cc(CN2CCn3cc[nH+]c3C2)sn1 ZINC000638012051 351890288 /nfs/dbraw/zinc/89/02/88/351890288.db2.gz DRKHFXOSNIXGMN-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1Cc1cccs1 ZINC000282959847 351951858 /nfs/dbraw/zinc/95/18/58/351951858.db2.gz ZREYKOTULHIGEG-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1Cc1cccs1 ZINC000282959847 351951860 /nfs/dbraw/zinc/95/18/60/351951860.db2.gz ZREYKOTULHIGEG-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000618871488 351952469 /nfs/dbraw/zinc/95/24/69/351952469.db2.gz MIWLATMVICGHLO-JTQLQIEISA-N 1 2 221.304 1.647 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1CCSCC1 ZINC000638097290 351977493 /nfs/dbraw/zinc/97/74/93/351977493.db2.gz SVSMIZGZGUZQHE-UHFFFAOYSA-N 1 2 226.349 1.380 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1CCSCC1 ZINC000638097290 351977495 /nfs/dbraw/zinc/97/74/95/351977495.db2.gz SVSMIZGZGUZQHE-UHFFFAOYSA-N 1 2 226.349 1.380 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(N)=O ZINC000292294193 352313667 /nfs/dbraw/zinc/31/36/67/352313667.db2.gz KSAIQNLNEAXQMS-SECBINFHSA-N 1 2 234.303 1.338 20 0 BDADLO COC(=O)C1([NH2+]CC[C@H](C)O)CCC(C)CC1 ZINC000411375679 191181715 /nfs/dbraw/zinc/18/17/15/191181715.db2.gz QXOGXZYVHDTJJY-AKJDGMEZSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)C1([NH2+]CC[C@H](C)O)CCCCC1 ZINC000411272641 191174066 /nfs/dbraw/zinc/17/40/66/191174066.db2.gz GMOFNFZIIOUHEI-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO COC(=O)C[N@H+](CCc1cncs1)C1CC1 ZINC000411307411 191177807 /nfs/dbraw/zinc/17/78/07/191177807.db2.gz HMRSWKVUNSEGFR-UHFFFAOYSA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)C[N@@H+](CCc1cncs1)C1CC1 ZINC000411307411 191177810 /nfs/dbraw/zinc/17/78/10/191177810.db2.gz HMRSWKVUNSEGFR-UHFFFAOYSA-N 1 2 240.328 1.323 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411354523 191179952 /nfs/dbraw/zinc/17/99/52/191179952.db2.gz YFVKDJGEDZIPJK-ZETCQYMHSA-N 1 2 214.338 1.469 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411354523 191179954 /nfs/dbraw/zinc/17/99/54/191179954.db2.gz YFVKDJGEDZIPJK-ZETCQYMHSA-N 1 2 214.338 1.469 20 0 BDADLO CCN1CCC[N@H+](Cc2conc2C)CC1=O ZINC000294689562 352383233 /nfs/dbraw/zinc/38/32/33/352383233.db2.gz NKNAONQNSXYFAD-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCN1CCC[N@@H+](Cc2conc2C)CC1=O ZINC000294689562 352383236 /nfs/dbraw/zinc/38/32/36/352383236.db2.gz NKNAONQNSXYFAD-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO C(=C\c1ccccc1)\C[N@@H+]1CCc2n[nH]nc2C1 ZINC000411620580 191198144 /nfs/dbraw/zinc/19/81/44/191198144.db2.gz PTCCPIFTGIAGCU-DAXSKMNVSA-N 1 2 240.310 1.876 20 0 BDADLO C(=C\c1ccccc1)\C[N@H+]1CCc2n[nH]nc2C1 ZINC000411620580 191198146 /nfs/dbraw/zinc/19/81/46/191198146.db2.gz PTCCPIFTGIAGCU-DAXSKMNVSA-N 1 2 240.310 1.876 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cncs1)C1CC1 ZINC000411602268 191195248 /nfs/dbraw/zinc/19/52/48/191195248.db2.gz JGVIQAASJXDXIR-JTQLQIEISA-N 1 2 240.328 1.227 20 0 BDADLO COc1ccc(NC(=O)CCn2cc[nH+]c2)nc1 ZINC000607943890 352449227 /nfs/dbraw/zinc/44/92/27/352449227.db2.gz XYLNCZHUTODJTB-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO Cc1nc([C@@H](C)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000411772979 191210718 /nfs/dbraw/zinc/21/07/18/191210718.db2.gz WITQZUHOITVBKE-KXUCPTDWSA-N 1 2 237.351 1.199 20 0 BDADLO Cc1nc([C@@H](C)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000411772979 191210720 /nfs/dbraw/zinc/21/07/20/191210720.db2.gz WITQZUHOITVBKE-KXUCPTDWSA-N 1 2 237.351 1.199 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)o1 ZINC000638647815 352490199 /nfs/dbraw/zinc/49/01/99/352490199.db2.gz JCPCOUNRYYRTGY-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1nc(CN(C)c2nc(C)[nH+]cc2C)no1 ZINC000575816629 352641174 /nfs/dbraw/zinc/64/11/74/352641174.db2.gz UZUFTCGLYBITLN-UHFFFAOYSA-N 1 2 233.275 1.421 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411880740 191225803 /nfs/dbraw/zinc/22/58/03/191225803.db2.gz WDVZYURBZGXKNP-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411880740 191225804 /nfs/dbraw/zinc/22/58/04/191225804.db2.gz WDVZYURBZGXKNP-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)o1 ZINC000638758781 352695166 /nfs/dbraw/zinc/69/51/66/352695166.db2.gz DVRCERNHCGXJAR-OCCSQVGLSA-N 1 2 244.294 1.731 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411949083 191232029 /nfs/dbraw/zinc/23/20/29/191232029.db2.gz NZHSYFNKOOYLPT-CABZTGNLSA-N 1 2 229.320 1.343 20 0 BDADLO CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000334217349 352817939 /nfs/dbraw/zinc/81/79/39/352817939.db2.gz CXAHSVINMITSLZ-UHFFFAOYSA-N 1 2 236.319 1.033 20 0 BDADLO Fc1cncc(C[NH+]2CC3(C2)CCOC3)c1 ZINC000334259185 352870300 /nfs/dbraw/zinc/87/03/00/352870300.db2.gz TYDSHXQURXWUGZ-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000334246235 352836450 /nfs/dbraw/zinc/83/64/50/352836450.db2.gz UIZBIKPMFFGPHZ-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334247719 352839089 /nfs/dbraw/zinc/83/90/89/352839089.db2.gz MPPCJMCOVAUFLE-JTQLQIEISA-N 1 2 245.286 1.419 20 0 BDADLO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000334278828 352912979 /nfs/dbraw/zinc/91/29/79/352912979.db2.gz UOXPFCGVWWBHNR-TXEJJXNPSA-N 1 2 204.273 1.445 20 0 BDADLO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000334278828 352912982 /nfs/dbraw/zinc/91/29/82/352912982.db2.gz UOXPFCGVWWBHNR-TXEJJXNPSA-N 1 2 204.273 1.445 20 0 BDADLO CC(C)CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000334282559 352923290 /nfs/dbraw/zinc/92/32/90/352923290.db2.gz UMBUJQNPYHYLKH-CYBMUJFWSA-N 1 2 247.342 1.601 20 0 BDADLO F[C@H]1CCC[C@H]1[NH2+]Cc1csnn1 ZINC000334285331 352924506 /nfs/dbraw/zinc/92/45/06/352924506.db2.gz WQECTSRGNKZJSZ-JGVFFNPUSA-N 1 2 201.270 1.518 20 0 BDADLO O=C(c1cncs1)N1CC[NH+](C2CC2)CC1 ZINC000334265096 352899540 /nfs/dbraw/zinc/89/95/40/352899540.db2.gz LKYAEHGDTPCROB-UHFFFAOYSA-N 1 2 237.328 1.063 20 0 BDADLO CCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334300650 352937581 /nfs/dbraw/zinc/93/75/81/352937581.db2.gz VDEXWVCAGMTHEK-QMMMGPOBSA-N 1 2 207.277 1.183 20 0 BDADLO CCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334300650 352937584 /nfs/dbraw/zinc/93/75/84/352937584.db2.gz VDEXWVCAGMTHEK-QMMMGPOBSA-N 1 2 207.277 1.183 20 0 BDADLO C[N@H+](Cc1cccc(F)c1F)[C@@H]1COC[C@H]1O ZINC000334315981 352946701 /nfs/dbraw/zinc/94/67/01/352946701.db2.gz ODWLONSMKYRFBD-GHMZBOCLSA-N 1 2 243.253 1.156 20 0 BDADLO C[N@@H+](Cc1cccc(F)c1F)[C@@H]1COC[C@H]1O ZINC000334315981 352946702 /nfs/dbraw/zinc/94/67/02/352946702.db2.gz ODWLONSMKYRFBD-GHMZBOCLSA-N 1 2 243.253 1.156 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000334319618 352950672 /nfs/dbraw/zinc/95/06/72/352950672.db2.gz UQBBHJBSGWEPHL-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000334319768 352951484 /nfs/dbraw/zinc/95/14/84/352951484.db2.gz UWFJAWSXUWMTNZ-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CSC[C@H]2C)no1 ZINC000307352745 353070130 /nfs/dbraw/zinc/07/01/30/353070130.db2.gz REDJITKTRFXZPI-HTRCEHHLSA-N 1 2 213.306 1.219 20 0 BDADLO CCc1cc(NC2(CO)CCC2)nc[nH+]1 ZINC000157437678 538107259 /nfs/dbraw/zinc/10/72/59/538107259.db2.gz LZNHQFBBTFHIEP-UHFFFAOYSA-N 1 2 207.277 1.366 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCn2ccnc2C1 ZINC000334468767 353116165 /nfs/dbraw/zinc/11/61/65/353116165.db2.gz YHVWKMRPCQEYND-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCn2ccnc2C1 ZINC000334468767 353116166 /nfs/dbraw/zinc/11/61/66/353116166.db2.gz YHVWKMRPCQEYND-UHFFFAOYSA-N 1 2 231.303 1.239 20 0 BDADLO CC[N@H+](Cc1ccoc1)Cc1cnnn1C ZINC000092935776 538108015 /nfs/dbraw/zinc/10/80/15/538108015.db2.gz MHZRBZJEGNZQTE-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO CC[N@@H+](Cc1ccoc1)Cc1cnnn1C ZINC000092935776 538108016 /nfs/dbraw/zinc/10/80/16/538108016.db2.gz MHZRBZJEGNZQTE-UHFFFAOYSA-N 1 2 220.276 1.430 20 0 BDADLO CC(C)[NH+]1CCN(c2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000036190659 535202048 /nfs/dbraw/zinc/20/20/48/535202048.db2.gz RCMILIVEFWFLJZ-UHFFFAOYSA-N 1 2 249.314 1.310 20 0 BDADLO CC(C)[N@@H+](Cc1noc(C2CC2)n1)C[C@@H](C)O ZINC000107043464 188060051 /nfs/dbraw/zinc/06/00/51/188060051.db2.gz FSRHVWGRYLXWRV-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)[N@H+](Cc1noc(C2CC2)n1)C[C@@H](C)O ZINC000107043464 188060053 /nfs/dbraw/zinc/06/00/53/188060053.db2.gz FSRHVWGRYLXWRV-SECBINFHSA-N 1 2 239.319 1.538 20 0 BDADLO CCc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)co1 ZINC000356600353 188065531 /nfs/dbraw/zinc/06/55/31/188065531.db2.gz XTIFUPSWVSADHL-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CC(=O)c1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000360922018 188070829 /nfs/dbraw/zinc/07/08/29/188070829.db2.gz LAUARIFHNWODDV-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO CC(=O)c1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000360922018 188070831 /nfs/dbraw/zinc/07/08/31/188070831.db2.gz LAUARIFHNWODDV-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000374092099 188076901 /nfs/dbraw/zinc/07/69/01/188076901.db2.gz CMDPLFHFNVVCNA-RYUDHWBXSA-N 1 2 239.315 1.670 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000374092099 188076902 /nfs/dbraw/zinc/07/69/02/188076902.db2.gz CMDPLFHFNVVCNA-RYUDHWBXSA-N 1 2 239.315 1.670 20 0 BDADLO CC[C@@H](C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049269310 353161243 /nfs/dbraw/zinc/16/12/43/353161243.db2.gz MILGWDZTSSNZPP-WDEREUQCSA-N 1 2 238.335 1.712 20 0 BDADLO COC(=O)c1ccc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000609537016 353166774 /nfs/dbraw/zinc/16/67/74/353166774.db2.gz DKUPEKXHXSHVFW-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1cnc[nH]1 ZINC000093843888 188144999 /nfs/dbraw/zinc/14/49/99/188144999.db2.gz MAMUMZBVDBPKKK-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000092017125 188145609 /nfs/dbraw/zinc/14/56/09/188145609.db2.gz IVPDIWWVBWUTMH-VHSXEESVSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000092017125 188145611 /nfs/dbraw/zinc/14/56/11/188145611.db2.gz IVPDIWWVBWUTMH-VHSXEESVSA-N 1 2 223.320 1.338 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000052720746 188126127 /nfs/dbraw/zinc/12/61/27/188126127.db2.gz XMCHROVXDVJJKM-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000052720746 188126129 /nfs/dbraw/zinc/12/61/29/188126129.db2.gz XMCHROVXDVJJKM-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC(C)Cn1ncnc1Cn1cc[nH+]c1 ZINC000088623048 188128377 /nfs/dbraw/zinc/12/83/77/188128377.db2.gz FBSLHQLOWAWAPQ-UHFFFAOYSA-N 1 2 205.265 1.179 20 0 BDADLO CC(C)(C)c1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000074448946 188132121 /nfs/dbraw/zinc/13/21/21/188132121.db2.gz LVFHSJWRUUYBQD-UHFFFAOYSA-N 1 2 246.354 1.828 20 0 BDADLO CC(C)(C)c1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000074448946 188132122 /nfs/dbraw/zinc/13/21/22/188132122.db2.gz LVFHSJWRUUYBQD-UHFFFAOYSA-N 1 2 246.354 1.828 20 0 BDADLO CC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000370884050 188152087 /nfs/dbraw/zinc/15/20/87/188152087.db2.gz UGUXRTIAOPIJOZ-ZDUSSCGKSA-N 1 2 246.310 1.050 20 0 BDADLO CC(=O)CC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000370884050 188152088 /nfs/dbraw/zinc/15/20/88/188152088.db2.gz UGUXRTIAOPIJOZ-ZDUSSCGKSA-N 1 2 246.310 1.050 20 0 BDADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368333722 188156888 /nfs/dbraw/zinc/15/68/88/188156888.db2.gz UTMZLODBAMJRJV-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)(C)OC(=O)CCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368333722 188156890 /nfs/dbraw/zinc/15/68/90/188156890.db2.gz UTMZLODBAMJRJV-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000335063828 188160071 /nfs/dbraw/zinc/16/00/71/188160071.db2.gz WXXLBSDPVQYOMM-UHFFFAOYSA-N 1 2 219.288 1.348 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOCC23CC3)cn1 ZINC000335063828 188160072 /nfs/dbraw/zinc/16/00/72/188160072.db2.gz WXXLBSDPVQYOMM-UHFFFAOYSA-N 1 2 219.288 1.348 20 0 BDADLO CC(C)(C)c1[nH]c2ccc(NC(=O)CO)cc2[nH+]1 ZINC000193140049 188174409 /nfs/dbraw/zinc/17/44/09/188174409.db2.gz YVFKKUSZAACPFG-UHFFFAOYSA-N 1 2 247.298 1.791 20 0 BDADLO CC(C)COC[C@H]([NH2+]CC(N)=O)c1ccco1 ZINC000184178574 188169329 /nfs/dbraw/zinc/16/93/29/188169329.db2.gz WHHATJRWLRLGMV-JTQLQIEISA-N 1 2 240.303 1.068 20 0 BDADLO CC(C)[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)CS1 ZINC000336758065 188171158 /nfs/dbraw/zinc/17/11/58/188171158.db2.gz KJLSWWIZXPDWFP-IUCAKERBSA-N 1 2 239.331 1.734 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000188918870 188171834 /nfs/dbraw/zinc/17/18/34/188171834.db2.gz GCMVHFIHYPMNMO-ZDUSSCGKSA-N 1 2 249.358 1.372 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000188918870 188171836 /nfs/dbraw/zinc/17/18/36/188171836.db2.gz GCMVHFIHYPMNMO-ZDUSSCGKSA-N 1 2 249.358 1.372 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000263652289 188193704 /nfs/dbraw/zinc/19/37/04/188193704.db2.gz GEVXUTGFRKMNKG-NSHDSACASA-N 1 2 223.320 1.776 20 0 BDADLO CCN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000264893502 188194236 /nfs/dbraw/zinc/19/42/36/188194236.db2.gz UGFKFUKWCXCGNH-UHFFFAOYSA-N 1 2 232.287 1.496 20 0 BDADLO c1nnc2n1CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000266936189 188194904 /nfs/dbraw/zinc/19/49/04/188194904.db2.gz UZDOBFZYKJUJFY-SNVBAGLBSA-N 1 2 204.277 1.202 20 0 BDADLO c1nnc2n1CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000266936189 188194906 /nfs/dbraw/zinc/19/49/06/188194906.db2.gz UZDOBFZYKJUJFY-SNVBAGLBSA-N 1 2 204.277 1.202 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000270226393 188198471 /nfs/dbraw/zinc/19/84/71/188198471.db2.gz PKVQRBCWQURSJD-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000193791807 188174861 /nfs/dbraw/zinc/17/48/61/188174861.db2.gz TXPTXMQKXKMOMM-UHFFFAOYSA-N 1 2 221.304 1.594 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000193791807 188174863 /nfs/dbraw/zinc/17/48/63/188174863.db2.gz TXPTXMQKXKMOMM-UHFFFAOYSA-N 1 2 221.304 1.594 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cc(C)[nH+]cn1 ZINC000343258818 353255056 /nfs/dbraw/zinc/25/50/56/353255056.db2.gz WJRVUKVLIHXSGG-FFNLUWKOSA-N 1 2 245.326 1.645 20 0 BDADLO CC(C)COCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000336954735 188183668 /nfs/dbraw/zinc/18/36/68/188183668.db2.gz XVTZODNBYHBNNA-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CC(C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000339175004 188190922 /nfs/dbraw/zinc/19/09/22/188190922.db2.gz NOCWCJLWDFNEGD-LLVKDONJSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ncnn2C)CCCO1 ZINC000339810418 188191711 /nfs/dbraw/zinc/19/17/11/188191711.db2.gz FRHHVAYDJJSLLS-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ncnn2C)CCCO1 ZINC000339810418 188191714 /nfs/dbraw/zinc/19/17/14/188191714.db2.gz FRHHVAYDJJSLLS-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(CO)o2)C[C@@H](C)O1 ZINC000245553175 188192016 /nfs/dbraw/zinc/19/20/16/188192016.db2.gz DZWKUFYFKJUHTJ-MNOVXSKESA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@@H](C)O1 ZINC000245553175 188192017 /nfs/dbraw/zinc/19/20/17/188192017.db2.gz DZWKUFYFKJUHTJ-MNOVXSKESA-N 1 2 239.315 1.771 20 0 BDADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)Cc1ccccc1 ZINC000294729242 188213624 /nfs/dbraw/zinc/21/36/24/188213624.db2.gz GDMOQPFRZKWKCW-CQSZACIVSA-N 1 2 245.326 1.757 20 0 BDADLO COc1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC000084356565 538113768 /nfs/dbraw/zinc/11/37/68/538113768.db2.gz NXEQGNQKUIMJMF-UHFFFAOYSA-N 1 2 207.273 1.262 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000274824824 188201132 /nfs/dbraw/zinc/20/11/32/188201132.db2.gz FSKQAXORBMWNHM-RYUDHWBXSA-N 1 2 247.342 1.902 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ccoc2)C1 ZINC000275244681 188201750 /nfs/dbraw/zinc/20/17/50/188201750.db2.gz OTFQDCPMUXZGRU-UHFFFAOYSA-N 1 2 208.261 1.102 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCCC1(C)C ZINC000276515304 188201900 /nfs/dbraw/zinc/20/19/00/188201900.db2.gz BRYPHXVNSSBHEP-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ccno2)CCO1 ZINC000276121675 188202379 /nfs/dbraw/zinc/20/23/79/188202379.db2.gz YXQBNVDGZMKEHT-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ccno2)CCO1 ZINC000276121675 188202381 /nfs/dbraw/zinc/20/23/81/188202381.db2.gz YXQBNVDGZMKEHT-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(C)c1 ZINC000278679420 188203481 /nfs/dbraw/zinc/20/34/81/188203481.db2.gz QGVDESQGHGJFPU-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(C)c1 ZINC000278679420 188203483 /nfs/dbraw/zinc/20/34/83/188203483.db2.gz QGVDESQGHGJFPU-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CC(C)=CCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000277996746 188204147 /nfs/dbraw/zinc/20/41/47/188204147.db2.gz NKEWJEOIIGHMCU-UHFFFAOYSA-N 1 2 246.318 1.714 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1cncc(F)c1 ZINC000281806982 188205910 /nfs/dbraw/zinc/20/59/10/188205910.db2.gz UHGYRKDQTJPUEV-UHFFFAOYSA-N 1 2 248.261 1.526 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC1(C)C ZINC000287170506 188208795 /nfs/dbraw/zinc/20/87/95/188208795.db2.gz ODEBLTQVVNZCIS-NSHDSACASA-N 1 2 235.331 1.658 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000134577407 538113292 /nfs/dbraw/zinc/11/32/92/538113292.db2.gz LIJBVLPQDZVPMS-KCJUWKMLSA-N 1 2 241.360 1.237 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353234693 353284308 /nfs/dbraw/zinc/28/43/08/353284308.db2.gz YGYYGXJOYQYWKO-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353234693 353284309 /nfs/dbraw/zinc/28/43/09/353284309.db2.gz YGYYGXJOYQYWKO-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000329034541 188225198 /nfs/dbraw/zinc/22/51/98/188225198.db2.gz YEYMOSOOCQMGIY-SNVBAGLBSA-N 1 2 237.303 1.729 20 0 BDADLO CC(C)[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000329034541 188225200 /nfs/dbraw/zinc/22/52/00/188225200.db2.gz YEYMOSOOCQMGIY-SNVBAGLBSA-N 1 2 237.303 1.729 20 0 BDADLO C1CC1c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329732720 188226332 /nfs/dbraw/zinc/22/63/32/188226332.db2.gz QJPMFFNYDFGCNH-MNOVXSKESA-N 1 2 249.314 1.873 20 0 BDADLO C1CC1c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329732720 188226334 /nfs/dbraw/zinc/22/63/34/188226334.db2.gz QJPMFFNYDFGCNH-MNOVXSKESA-N 1 2 249.314 1.873 20 0 BDADLO CN(C(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000343281306 353337008 /nfs/dbraw/zinc/33/70/08/353337008.db2.gz HOJZCVCXDZJEJY-UHFFFAOYSA-N 1 2 246.301 1.584 20 0 BDADLO C[C@H](CCO)Sc1[nH+]cnc2c1cnn2C ZINC000085143807 538115620 /nfs/dbraw/zinc/11/56/20/538115620.db2.gz SOQOTFZUEFDQKI-SSDOTTSWSA-N 1 2 238.316 1.226 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)sn1 ZINC000639061768 353368978 /nfs/dbraw/zinc/36/89/78/353368978.db2.gz QGZKOCHFSYVHPR-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)sn1 ZINC000639061768 353368980 /nfs/dbraw/zinc/36/89/80/353368980.db2.gz QGZKOCHFSYVHPR-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)c(C#N)c[nH+]1 ZINC000398962454 353388276 /nfs/dbraw/zinc/38/82/76/353388276.db2.gz NZARFCAFCDRZET-NEPJUHHUSA-N 1 2 231.299 1.255 20 0 BDADLO C[C@H]([NH2+]Cc1nc2ccccc2o1)C(=O)N(C)C ZINC000639100198 353510060 /nfs/dbraw/zinc/51/00/60/353510060.db2.gz MGJRKJABKDLYEQ-VIFPVBQESA-N 1 2 247.298 1.394 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000231277472 353588925 /nfs/dbraw/zinc/58/89/25/353588925.db2.gz UPOXJIZPCPLYOZ-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000231277472 353588929 /nfs/dbraw/zinc/58/89/29/353588929.db2.gz UPOXJIZPCPLYOZ-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO CO[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000231682732 353643737 /nfs/dbraw/zinc/64/37/37/353643737.db2.gz QZYCIKYHWIRCMV-BDAKNGLRSA-N 1 2 247.302 1.343 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ncccc1O ZINC000189856302 353681775 /nfs/dbraw/zinc/68/17/75/353681775.db2.gz FAVUNFZUYQKKPE-UHFFFAOYSA-N 1 2 246.270 1.092 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(=O)[C@H](C)C1 ZINC000577887009 366097289 /nfs/dbraw/zinc/09/72/89/366097289.db2.gz APEFJKIQASFUFX-SECBINFHSA-N 1 2 219.288 1.509 20 0 BDADLO Cc1nc(N2CCc3ncccc3C2)cc[nH+]1 ZINC000371004635 353825261 /nfs/dbraw/zinc/82/52/61/353825261.db2.gz LTOIPJOHENTXHG-UHFFFAOYSA-N 1 2 226.283 1.743 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)cc1 ZINC000037989329 358481005 /nfs/dbraw/zinc/48/10/05/358481005.db2.gz QQUXHUUGUVAFHX-SNVBAGLBSA-N 1 2 247.273 1.841 20 0 BDADLO CC[C@@](C)(CNc1ccc(CO)c[nH+]1)OC ZINC000639132963 353842926 /nfs/dbraw/zinc/84/29/26/353842926.db2.gz WQMLBBCSFDVXEP-LBPRGKRZSA-N 1 2 224.304 1.801 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccns2)C1 ZINC000639144624 353851108 /nfs/dbraw/zinc/85/11/08/353851108.db2.gz CTKPMUVJLXYFIE-SECBINFHSA-N 1 2 216.281 1.049 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccns2)C1 ZINC000639144624 353851109 /nfs/dbraw/zinc/85/11/09/353851109.db2.gz CTKPMUVJLXYFIE-SECBINFHSA-N 1 2 216.281 1.049 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)sn1 ZINC000639145386 353851646 /nfs/dbraw/zinc/85/16/46/353851646.db2.gz QCTCERFGMRTJBL-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)sn1 ZINC000639145386 353851649 /nfs/dbraw/zinc/85/16/49/353851649.db2.gz QCTCERFGMRTJBL-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO CO[C@H](C[NH2+]C1(C(F)F)CC1)C1CC1 ZINC000639139135 353855502 /nfs/dbraw/zinc/85/55/02/353855502.db2.gz GRZGRPNDOAEYRR-MRVPVSSYSA-N 1 2 205.248 1.799 20 0 BDADLO CN(CCc1cccs1)C(=O)Cn1cc[nH+]c1 ZINC000074153517 353928089 /nfs/dbraw/zinc/92/80/89/353928089.db2.gz YVGZNPLLFLHBDA-UHFFFAOYSA-N 1 2 249.339 1.646 20 0 BDADLO Cc1ccoc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000343593871 353942295 /nfs/dbraw/zinc/94/22/95/353942295.db2.gz GMYSVPBCCVFYRO-UHFFFAOYSA-N 1 2 247.298 1.905 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000343740818 353969349 /nfs/dbraw/zinc/96/93/49/353969349.db2.gz YJOANKDZLCHFSF-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO CC1(C)C[N@H+](CCO)C[C@@](C)(C(F)(F)F)O1 ZINC000334542097 353977158 /nfs/dbraw/zinc/97/71/58/353977158.db2.gz BINLRNFQHFHBQK-VIFPVBQESA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[N@@H+](CCO)C[C@@](C)(C(F)(F)F)O1 ZINC000334542097 353977160 /nfs/dbraw/zinc/97/71/60/353977160.db2.gz BINLRNFQHFHBQK-VIFPVBQESA-N 1 2 241.253 1.411 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCC=C(C)C2)[nH]1 ZINC000334547034 353985124 /nfs/dbraw/zinc/98/51/24/353985124.db2.gz BWUFDABGWZAHBP-SECBINFHSA-N 1 2 206.293 1.826 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCC=C(C)C2)[nH]1 ZINC000334547034 353985127 /nfs/dbraw/zinc/98/51/27/353985127.db2.gz BWUFDABGWZAHBP-SECBINFHSA-N 1 2 206.293 1.826 20 0 BDADLO CC[C@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343775523 353986433 /nfs/dbraw/zinc/98/64/33/353986433.db2.gz WXCGMBZVTVKNMY-QMMMGPOBSA-N 1 2 224.308 1.488 20 0 BDADLO CCc1noc([C@H](C)[N@H+](CC)CCOC)n1 ZINC000343647242 353952706 /nfs/dbraw/zinc/95/27/06/353952706.db2.gz MXUSQXMSAREIRI-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](CC)CCOC)n1 ZINC000343647242 353952709 /nfs/dbraw/zinc/95/27/09/353952709.db2.gz MXUSQXMSAREIRI-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO Cc1nc(NCC[C@@H]2CCO[C@H](C)C2)cc[nH+]1 ZINC000343652738 353954459 /nfs/dbraw/zinc/95/44/59/353954459.db2.gz LVIJSMRMBLCYQX-ZYHUDNBSSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000343678771 353961545 /nfs/dbraw/zinc/96/15/45/353961545.db2.gz WRSYJIHXFGSKRA-ONGXEEELSA-N 1 2 207.277 1.462 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000343678771 353961547 /nfs/dbraw/zinc/96/15/47/353961547.db2.gz WRSYJIHXFGSKRA-ONGXEEELSA-N 1 2 207.277 1.462 20 0 BDADLO CCn1cc(CNc2cc[nH+]c(C(C)C)n2)cn1 ZINC000343916568 354040442 /nfs/dbraw/zinc/04/04/42/354040442.db2.gz QIGLPXHNPUSSNJ-UHFFFAOYSA-N 1 2 245.330 1.850 20 0 BDADLO CC(C)c1nc(NC[C@@H](CO)C(C)C)cc[nH+]1 ZINC000343795014 353999682 /nfs/dbraw/zinc/99/96/82/353999682.db2.gz WBRQHSCNYNKZEJ-NSHDSACASA-N 1 2 237.347 1.698 20 0 BDADLO CCc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)nc1 ZINC000334556754 354002530 /nfs/dbraw/zinc/00/25/30/354002530.db2.gz VGOAFKWEDKSEKG-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CCc1ccc(C[N@H+]2CCc3n[nH]cc3C2)nc1 ZINC000334556754 354002534 /nfs/dbraw/zinc/00/25/34/354002534.db2.gz VGOAFKWEDKSEKG-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@H]2CC[C@H]2C)[nH+]1 ZINC000343806165 354009191 /nfs/dbraw/zinc/00/91/91/354009191.db2.gz JVPMLGOXYUOCIX-ZJUUUORDSA-N 1 2 249.362 1.693 20 0 BDADLO CC(C)c1nc(N[C@H]2CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000343806165 354009193 /nfs/dbraw/zinc/00/91/93/354009193.db2.gz JVPMLGOXYUOCIX-ZJUUUORDSA-N 1 2 249.362 1.693 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cncc(OC)c1 ZINC000343807647 354010577 /nfs/dbraw/zinc/01/05/77/354010577.db2.gz GWVQAKPHVZNOGM-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cncc(OC)c1 ZINC000343807647 354010581 /nfs/dbraw/zinc/01/05/81/354010581.db2.gz GWVQAKPHVZNOGM-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO C[C@@H](c1cccs1)[N@H+](C)CCS(C)(=O)=O ZINC000053428437 363286678 /nfs/dbraw/zinc/28/66/78/363286678.db2.gz WZJOEPJJEGRPRM-VIFPVBQESA-N 1 2 247.385 1.786 20 0 BDADLO C[C@@H](c1cccs1)[N@@H+](C)CCS(C)(=O)=O ZINC000053428437 363286685 /nfs/dbraw/zinc/28/66/85/363286685.db2.gz WZJOEPJJEGRPRM-VIFPVBQESA-N 1 2 247.385 1.786 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(F)cc1C(N)=O ZINC000343886569 354031987 /nfs/dbraw/zinc/03/19/87/354031987.db2.gz SLLKVQHZRSMLJD-UHFFFAOYSA-N 1 2 248.261 1.270 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000343963901 354074832 /nfs/dbraw/zinc/07/48/32/354074832.db2.gz QEGUXYNCKQGHJS-VHSXEESVSA-N 1 2 207.277 1.188 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n(C)n1 ZINC000334576781 354109775 /nfs/dbraw/zinc/10/97/75/354109775.db2.gz ICOLTHLKXQAYKT-TXEJJXNPSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n(C)n1 ZINC000334576781 354109779 /nfs/dbraw/zinc/10/97/79/354109779.db2.gz ICOLTHLKXQAYKT-TXEJJXNPSA-N 1 2 221.304 1.092 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000449669523 202000003 /nfs/dbraw/zinc/00/00/03/202000003.db2.gz XXPFLGQFUFZIPN-VHSXEESVSA-N 1 2 231.361 1.812 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC12CCC2 ZINC000344137395 354150303 /nfs/dbraw/zinc/15/03/03/354150303.db2.gz QCTJMGJDHHDYDN-NSHDSACASA-N 1 2 245.326 1.601 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449669546 202000644 /nfs/dbraw/zinc/00/06/44/202000644.db2.gz YAMGWRGVEKYDAQ-UTLUCORTSA-N 1 2 231.361 1.668 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1CCC1 ZINC000231292218 363340250 /nfs/dbraw/zinc/34/02/50/363340250.db2.gz LASCSMDQQSRXKB-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CC1(C)CC(CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000344196454 354181244 /nfs/dbraw/zinc/18/12/44/354181244.db2.gz RRLQPPHXJDVHSE-UHFFFAOYSA-N 1 2 234.299 1.974 20 0 BDADLO COc1ccnc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000344220609 354182179 /nfs/dbraw/zinc/18/21/79/354182179.db2.gz ONRFQKRTERJRJP-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCCc2occc2C1 ZINC000344240522 354187191 /nfs/dbraw/zinc/18/71/91/354187191.db2.gz CQNRAQWRMODDKQ-CYBMUJFWSA-N 1 2 249.310 1.979 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCCc2occc2C1 ZINC000344240522 354187193 /nfs/dbraw/zinc/18/71/93/354187193.db2.gz CQNRAQWRMODDKQ-CYBMUJFWSA-N 1 2 249.310 1.979 20 0 BDADLO Cc1nc(N2CC[C@H]([C@@H]3CCOC3)C2)cc[nH+]1 ZINC000371007440 354251301 /nfs/dbraw/zinc/25/13/01/354251301.db2.gz VAHMECGXCWMONA-NWDGAFQWSA-N 1 2 233.315 1.648 20 0 BDADLO OC[C@H]([NH2+]Cc1ncc[nH]1)c1cccc(F)c1 ZINC000344316340 354221950 /nfs/dbraw/zinc/22/19/50/354221950.db2.gz JUWHJJSWTCWANI-NSHDSACASA-N 1 2 235.262 1.372 20 0 BDADLO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000344320249 354223394 /nfs/dbraw/zinc/22/33/94/354223394.db2.gz CDPQMAJDPMMAJV-LLVKDONJSA-N 1 2 249.314 1.740 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000334596952 354230746 /nfs/dbraw/zinc/23/07/46/354230746.db2.gz USLUMJWNGKJVQQ-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC[C@H]1C ZINC000334597551 354231893 /nfs/dbraw/zinc/23/18/93/354231893.db2.gz JHWLXXHJBBVDBH-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO Cc1[nH+]c[nH]c1[C@H]1NC(=O)c2ccccc2N1C ZINC000334603983 354284854 /nfs/dbraw/zinc/28/48/54/354284854.db2.gz LQYHARZHOARPRR-LBPRGKRZSA-N 1 2 242.282 1.597 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3c(c2)COC3)co1 ZINC000344537566 354285305 /nfs/dbraw/zinc/28/53/05/354285305.db2.gz VLLNMECMCNEATJ-UHFFFAOYSA-N 1 2 230.267 1.995 20 0 BDADLO CC[C@@H](OC)C(=O)NCCNc1cccc[nH+]1 ZINC000344530498 354281215 /nfs/dbraw/zinc/28/12/15/354281215.db2.gz JLINDNDGASZTMI-SNVBAGLBSA-N 1 2 237.303 1.035 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCSC1 ZINC000344619407 354327420 /nfs/dbraw/zinc/32/74/20/354327420.db2.gz QPCQBYDTWRUQHG-JTQLQIEISA-N 1 2 239.344 1.143 20 0 BDADLO CCc1cnccc1C(=O)NCc1[nH+]ccn1C ZINC000344798172 354374705 /nfs/dbraw/zinc/37/47/05/354374705.db2.gz BGKAYMSFAYOOAK-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC(C)(CO)C1 ZINC000334686269 354432482 /nfs/dbraw/zinc/43/24/82/354432482.db2.gz PFRWZGXCGFGMNB-UHFFFAOYSA-N 1 2 231.299 1.392 20 0 BDADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H]1C1CC1 ZINC000334687509 354433713 /nfs/dbraw/zinc/43/37/13/354433713.db2.gz AHCIYODZAUTKEC-CMPLNLGQSA-N 1 2 245.326 1.841 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]2C)c[nH+]1 ZINC000334641892 354398045 /nfs/dbraw/zinc/39/80/45/354398045.db2.gz DWWLGXXPLILJHC-CBAPKCEASA-N 1 2 207.277 1.637 20 0 BDADLO Cc1cccc2ncc(C[NH+]3CC(C)(CO)C3)n21 ZINC000334643922 354401359 /nfs/dbraw/zinc/40/13/59/354401359.db2.gz AUTQEEKPSYQQBX-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCC=C(F)C2)CCO1 ZINC000335921475 134007412 /nfs/dbraw/zinc/00/74/12/134007412.db2.gz JXOWZHSBNQYFLD-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCC=C(F)C2)CCO1 ZINC000335921475 134007413 /nfs/dbraw/zinc/00/74/13/134007413.db2.gz JXOWZHSBNQYFLD-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H]1CN(CC[N@@H+]2CCC=C(F)C2)CCO1 ZINC000335921475 134007414 /nfs/dbraw/zinc/00/74/14/134007414.db2.gz JXOWZHSBNQYFLD-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H]1CN(CC[N@H+]2CCC=C(F)C2)CCO1 ZINC000335921475 134007415 /nfs/dbraw/zinc/00/74/15/134007415.db2.gz JXOWZHSBNQYFLD-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000334650820 354443230 /nfs/dbraw/zinc/44/32/30/354443230.db2.gz HSTNKABERBLWBI-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO Fc1cnccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000334650820 354443233 /nfs/dbraw/zinc/44/32/33/354443233.db2.gz HSTNKABERBLWBI-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@@H](CC)C(=O)OC)CCO1 ZINC000179150249 366211878 /nfs/dbraw/zinc/21/18/78/366211878.db2.gz AZNLFZWYAACFEY-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H]1C[N@H+]([C@@H](CC)C(=O)OC)CCO1 ZINC000179150249 366211881 /nfs/dbraw/zinc/21/18/81/366211881.db2.gz AZNLFZWYAACFEY-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO Cn1c[nH+]cc1CN1C(=O)CC2(CCCC2)C1=O ZINC000334658898 354455125 /nfs/dbraw/zinc/45/51/25/354455125.db2.gz AZJMNHROPAVMTP-UHFFFAOYSA-N 1 2 247.298 1.239 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2c[nH+]c3n2CCCC3)CO1 ZINC000334665171 354466689 /nfs/dbraw/zinc/46/66/89/354466689.db2.gz DCFBIDPDBSZUIK-NXEZZACHSA-N 1 2 249.314 1.583 20 0 BDADLO c1nc(C[N@@H+]2CCOC[C@@H]2C2CCC2)co1 ZINC000578071227 366219574 /nfs/dbraw/zinc/21/95/74/366219574.db2.gz GWLVNOVZFSOPCB-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO c1nc(C[N@H+]2CCOC[C@@H]2C2CCC2)co1 ZINC000578071227 366219578 /nfs/dbraw/zinc/21/95/78/366219578.db2.gz GWLVNOVZFSOPCB-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccn(C)c2)c[nH+]1 ZINC000334751774 354476640 /nfs/dbraw/zinc/47/66/40/354476640.db2.gz XYSRDIRWFQZIAU-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(C(C)(C)C)no1 ZINC000349650196 366208572 /nfs/dbraw/zinc/20/85/72/366208572.db2.gz CQZJSVKQJHLKJK-UHFFFAOYSA-N 1 2 220.276 1.691 20 0 BDADLO O=C1[C@@H]([N@@H+]2CC[C@H](F)C2)CCN1c1ccccc1 ZINC000334697466 354489203 /nfs/dbraw/zinc/48/92/03/354489203.db2.gz CORMENWHIXZFDZ-AAEUAGOBSA-N 1 2 248.301 1.836 20 0 BDADLO O=C1[C@@H]([N@H+]2CC[C@H](F)C2)CCN1c1ccccc1 ZINC000334697466 354489204 /nfs/dbraw/zinc/48/92/04/354489204.db2.gz CORMENWHIXZFDZ-AAEUAGOBSA-N 1 2 248.301 1.836 20 0 BDADLO CCc1noc(C)c1C(=O)Nc1cc[nH+]cc1C ZINC000334720300 354520357 /nfs/dbraw/zinc/52/03/57/354520357.db2.gz NBBSHERYJPCPJH-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccon2)C1 ZINC000334808555 354565745 /nfs/dbraw/zinc/56/57/45/354565745.db2.gz PYWCJBPDPLDAKQ-KBPBESRZSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccon2)C1 ZINC000334808555 354565748 /nfs/dbraw/zinc/56/57/48/354565748.db2.gz PYWCJBPDPLDAKQ-KBPBESRZSA-N 1 2 244.294 1.983 20 0 BDADLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](F)C1 ZINC000334812460 354569803 /nfs/dbraw/zinc/56/98/03/354569803.db2.gz QBPDIVSJYIELRN-RYUDHWBXSA-N 1 2 242.338 1.677 20 0 BDADLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](F)C1 ZINC000334812460 354569805 /nfs/dbraw/zinc/56/98/05/354569805.db2.gz QBPDIVSJYIELRN-RYUDHWBXSA-N 1 2 242.338 1.677 20 0 BDADLO O=C(NC1CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334754845 354576255 /nfs/dbraw/zinc/57/62/55/354576255.db2.gz CEXARMVKCVCTPW-VIFPVBQESA-N 1 2 234.303 1.119 20 0 BDADLO O=C(NC1CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334754845 354576257 /nfs/dbraw/zinc/57/62/57/354576257.db2.gz CEXARMVKCVCTPW-VIFPVBQESA-N 1 2 234.303 1.119 20 0 BDADLO c1[nH+]c2c(n1COC1CCOCC1)CCCC2 ZINC000393889591 354597193 /nfs/dbraw/zinc/59/71/93/354597193.db2.gz YSEKSASEOAADHN-UHFFFAOYSA-N 1 2 236.315 1.915 20 0 BDADLO C[C@]1(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1F ZINC000335091208 354627184 /nfs/dbraw/zinc/62/71/84/354627184.db2.gz LFLMNNZCSIRNKX-GWCFXTLKSA-N 1 2 247.273 1.699 20 0 BDADLO CN1CC[C@H](CNc2cccc[nH+]2)CC1=O ZINC000335088641 354623149 /nfs/dbraw/zinc/62/31/49/354623149.db2.gz ASJICSJCYSULJY-JTQLQIEISA-N 1 2 219.288 1.362 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000335107144 354691984 /nfs/dbraw/zinc/69/19/84/354691984.db2.gz FFQFSBOLTWUHDM-ZCFIWIBFSA-N 1 2 217.219 1.849 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000335107144 354691987 /nfs/dbraw/zinc/69/19/87/354691987.db2.gz FFQFSBOLTWUHDM-ZCFIWIBFSA-N 1 2 217.219 1.849 20 0 BDADLO CCC1CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000335109532 354695836 /nfs/dbraw/zinc/69/58/36/354695836.db2.gz JSWKVXICNNKDEV-UHFFFAOYSA-N 1 2 229.283 1.816 20 0 BDADLO CCC(=O)N1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000335117381 354707629 /nfs/dbraw/zinc/70/76/29/354707629.db2.gz OISQOCRBZFXFNE-UHFFFAOYSA-N 1 2 232.274 1.543 20 0 BDADLO CCC(=O)N1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000335117381 354707632 /nfs/dbraw/zinc/70/76/32/354707632.db2.gz OISQOCRBZFXFNE-UHFFFAOYSA-N 1 2 232.274 1.543 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000335117695 354708330 /nfs/dbraw/zinc/70/83/30/354708330.db2.gz YYXRMMRXRSIMJQ-NSHDSACASA-N 1 2 226.320 1.067 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000335117695 354708333 /nfs/dbraw/zinc/70/83/33/354708333.db2.gz YYXRMMRXRSIMJQ-NSHDSACASA-N 1 2 226.320 1.067 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C(C)(C)C)C1 ZINC000335101875 354712650 /nfs/dbraw/zinc/71/26/50/354712650.db2.gz YNSVZSCROISGBH-UHFFFAOYSA-N 1 2 235.331 1.765 20 0 BDADLO CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345627729 354717906 /nfs/dbraw/zinc/71/79/06/354717906.db2.gz KYTHEZKPNJWWKC-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1cccnc1 ZINC000345523634 354671951 /nfs/dbraw/zinc/67/19/51/354671951.db2.gz SEBLPWUBNQYIAD-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC=CCC1 ZINC000335138108 354789182 /nfs/dbraw/zinc/78/91/82/354789182.db2.gz FGNKCDUWVINJIC-ZDUSSCGKSA-N 1 2 248.330 1.718 20 0 BDADLO CC(C)[N@H+](Cc1ccns1)C1COC1 ZINC000639215735 354830824 /nfs/dbraw/zinc/83/08/24/354830824.db2.gz GKRBOMXIMVUBMY-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO CC(C)[N@@H+](Cc1ccns1)C1COC1 ZINC000639215735 354830827 /nfs/dbraw/zinc/83/08/27/354830827.db2.gz GKRBOMXIMVUBMY-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)sn1 ZINC000639218955 354873387 /nfs/dbraw/zinc/87/33/87/354873387.db2.gz QJFILWZPIZSKDT-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)sn1 ZINC000639218955 354873389 /nfs/dbraw/zinc/87/33/89/354873389.db2.gz QJFILWZPIZSKDT-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)OC ZINC000233839059 363408881 /nfs/dbraw/zinc/40/88/81/363408881.db2.gz OMDFPIDDQDNFJL-RKDXNWHRSA-N 1 2 217.334 1.423 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC[C@H](O)C1 ZINC000346344838 354901255 /nfs/dbraw/zinc/90/12/55/354901255.db2.gz YDQDDXDDIKQIGP-BDAKNGLRSA-N 1 2 236.271 1.190 20 0 BDADLO C[C@H]1C[N@H+](CCOCC(F)F)CCC1=O ZINC000235598551 363448333 /nfs/dbraw/zinc/44/83/33/363448333.db2.gz OPNTXNCCEKSHFF-QMMMGPOBSA-N 1 2 221.247 1.179 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC(F)F)CCC1=O ZINC000235598551 363448336 /nfs/dbraw/zinc/44/83/36/363448336.db2.gz OPNTXNCCEKSHFF-QMMMGPOBSA-N 1 2 221.247 1.179 20 0 BDADLO CS[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346424066 354925643 /nfs/dbraw/zinc/92/56/43/354925643.db2.gz BTIBLXCREXUVMP-SSDOTTSWSA-N 1 2 213.306 1.120 20 0 BDADLO Fc1cccc2c1C[N@H+](CCn1cncn1)C2 ZINC000335170238 354933279 /nfs/dbraw/zinc/93/32/79/354933279.db2.gz SIWCVKIGZYZJTN-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cccc2c1C[N@@H+](CCn1cncn1)C2 ZINC000335170238 354933282 /nfs/dbraw/zinc/93/32/82/354933282.db2.gz SIWCVKIGZYZJTN-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO c1cn(CCc2nc(-c3ccncc3)no2)c[nH+]1 ZINC000074455330 354966691 /nfs/dbraw/zinc/96/66/91/354966691.db2.gz IFLDFQCSWRWJEB-UHFFFAOYSA-N 1 2 241.254 1.571 20 0 BDADLO c1cn(CCc2nnnn2-c2ccccc2)c[nH+]1 ZINC000346622766 354995456 /nfs/dbraw/zinc/99/54/56/354995456.db2.gz UOMWSMQHGFRCNJ-UHFFFAOYSA-N 1 2 240.270 1.102 20 0 BDADLO Cc1ccnc(COCc2[nH]cc[nH+]2)n1 ZINC000346622747 354996019 /nfs/dbraw/zinc/99/60/19/354996019.db2.gz SWGJVZOREGAMBE-UHFFFAOYSA-N 1 2 204.233 1.225 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@](C)(O)C2)[nH+]1 ZINC000346701243 355073909 /nfs/dbraw/zinc/07/39/09/355073909.db2.gz RUIQDMREWRRCHO-ZDUSSCGKSA-N 1 2 246.314 1.618 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000346695687 355059469 /nfs/dbraw/zinc/05/94/69/355059469.db2.gz FPUOHGXCZKYVGC-ZJUUUORDSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C)[C@@H](C)C2)[nH+]1 ZINC000346695687 355059472 /nfs/dbraw/zinc/05/94/72/355059472.db2.gz FPUOHGXCZKYVGC-ZJUUUORDSA-N 1 2 249.362 1.728 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CC[C@H](F)C1 ZINC000639228817 355108177 /nfs/dbraw/zinc/10/81/77/355108177.db2.gz QICUIIZSRLCXQL-WDEREUQCSA-N 1 2 223.295 1.915 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CC[C@H](F)C1 ZINC000639228817 355108181 /nfs/dbraw/zinc/10/81/81/355108181.db2.gz QICUIIZSRLCXQL-WDEREUQCSA-N 1 2 223.295 1.915 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnc(C)cn1 ZINC000346706175 355097279 /nfs/dbraw/zinc/09/72/79/355097279.db2.gz OKHIYWMTROVCKN-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000449759881 202024850 /nfs/dbraw/zinc/02/48/50/202024850.db2.gz ZNMFRSCQDGFJEG-VXGBXAGGSA-N 1 2 223.320 1.765 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@]12CC[C@@H](C)C2 ZINC000335246698 355161747 /nfs/dbraw/zinc/16/17/47/355161747.db2.gz OTGCBRLRPRBNCC-ZYHUDNBSSA-N 1 2 210.321 1.591 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@]12CC[C@@H](C)C2 ZINC000335246698 355161752 /nfs/dbraw/zinc/16/17/52/355161752.db2.gz OTGCBRLRPRBNCC-ZYHUDNBSSA-N 1 2 210.321 1.591 20 0 BDADLO [NH3+][C@@H](C(=O)NC1CCCCC1)c1cscn1 ZINC000335249937 355169661 /nfs/dbraw/zinc/16/96/61/355169661.db2.gz NDSNQFLUVOEWJI-SNVBAGLBSA-N 1 2 239.344 1.592 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CC[C@@H](F)C1)CCCC2 ZINC000639229232 355137739 /nfs/dbraw/zinc/13/77/39/355137739.db2.gz UIJFNDSSKIACCA-SNVBAGLBSA-N 1 2 237.322 1.843 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CC[C@@H](F)C1)CCCC2 ZINC000639229232 355137742 /nfs/dbraw/zinc/13/77/42/355137742.db2.gz UIJFNDSSKIACCA-SNVBAGLBSA-N 1 2 237.322 1.843 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CC[C@H](F)C1)CCCC2 ZINC000639229231 355137868 /nfs/dbraw/zinc/13/78/68/355137868.db2.gz UIJFNDSSKIACCA-JTQLQIEISA-N 1 2 237.322 1.843 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CC[C@H](F)C1)CCCC2 ZINC000639229231 355137871 /nfs/dbraw/zinc/13/78/71/355137871.db2.gz UIJFNDSSKIACCA-JTQLQIEISA-N 1 2 237.322 1.843 20 0 BDADLO CC1(C)C(C(=O)N2CCn3c[nH+]cc3C2)C1(C)C ZINC000336022179 535280166 /nfs/dbraw/zinc/28/01/66/535280166.db2.gz GYZYMAPDDBVINX-UHFFFAOYSA-N 1 2 247.342 1.908 20 0 BDADLO Cc1nc(C)c(N2CCn3cc[nH+]c3C2)nc1C ZINC000413093863 191356119 /nfs/dbraw/zinc/35/61/19/191356119.db2.gz AKXDZBYAXMJRLA-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO CC1(C)CC(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000348496304 535282171 /nfs/dbraw/zinc/28/21/71/535282171.db2.gz QRRSPWBGRKWZNP-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(F)C2)C1 ZINC000335290305 355263558 /nfs/dbraw/zinc/26/35/58/355263558.db2.gz YCIPGXLFPAGZRL-DGCLKSJQSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(F)C2)C1 ZINC000335290305 355263565 /nfs/dbraw/zinc/26/35/65/355263565.db2.gz YCIPGXLFPAGZRL-DGCLKSJQSA-N 1 2 242.338 1.679 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC2(C1)CCCC2 ZINC000335292292 355267490 /nfs/dbraw/zinc/26/74/90/355267490.db2.gz TYCBHRKPCPEESM-UHFFFAOYSA-N 1 2 248.330 1.469 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@@H](O)C(C)C ZINC000413532669 191393101 /nfs/dbraw/zinc/39/31/01/191393101.db2.gz BANHZSDBNGITAU-JQWIXIFHSA-N 1 2 223.320 1.992 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@@H]1CO ZINC000413263212 191366937 /nfs/dbraw/zinc/36/69/37/191366937.db2.gz VEQYTCBYWPFXAF-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)[C@@H]1CO ZINC000413263212 191366940 /nfs/dbraw/zinc/36/69/40/191366940.db2.gz VEQYTCBYWPFXAF-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H]1CO ZINC000413263217 191367294 /nfs/dbraw/zinc/36/72/94/191367294.db2.gz VEQYTCBYWPFXAF-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)[C@H]1CO ZINC000413263217 191367297 /nfs/dbraw/zinc/36/72/97/191367297.db2.gz VEQYTCBYWPFXAF-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nsc(NCCc2ccc(C)c[nH+]2)n1 ZINC000413345562 191373692 /nfs/dbraw/zinc/37/36/92/191373692.db2.gz GBHYVXYNBHZUOO-UHFFFAOYSA-N 1 2 234.328 1.626 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000413386158 191377709 /nfs/dbraw/zinc/37/77/09/191377709.db2.gz JMCKPXVXYPOGRG-DTORHVGOSA-N 1 2 247.302 1.343 20 0 BDADLO CC1(O)C[NH+](Cc2cccc3c2OCCO3)C1 ZINC000639253562 355291466 /nfs/dbraw/zinc/29/14/66/355291466.db2.gz AYZQFDVMTQYRAR-UHFFFAOYSA-N 1 2 235.283 1.024 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000639253778 355293130 /nfs/dbraw/zinc/29/31/30/355293130.db2.gz GVWHSBFWYGQXLG-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000639253778 355293135 /nfs/dbraw/zinc/29/31/35/355293135.db2.gz GVWHSBFWYGQXLG-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO COCCC1(C)C[NH+](Cc2snnc2C)C1 ZINC000639255024 355295636 /nfs/dbraw/zinc/29/56/36/355295636.db2.gz KQZQDQNPWDKTNA-UHFFFAOYSA-N 1 2 241.360 1.705 20 0 BDADLO COCC1(O)C[NH+](Cc2csc(C)c2C)C1 ZINC000639256294 355301304 /nfs/dbraw/zinc/30/13/04/355301304.db2.gz WGFLNFOXIWCHAA-UHFFFAOYSA-N 1 2 241.356 1.558 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349237969 355372902 /nfs/dbraw/zinc/37/29/02/355372902.db2.gz JEVAOCJZUJKABF-UWVGGRQHSA-N 1 2 239.319 1.486 20 0 BDADLO CCn1ncnc1CNc1cc(C)c[nH+]c1C ZINC000639289492 355417935 /nfs/dbraw/zinc/41/79/35/355417935.db2.gz BEJJBQGSXYZSFB-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO O=C(NCC(F)F)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335785772 355435529 /nfs/dbraw/zinc/43/55/29/355435529.db2.gz GDUSXHJMRQNRRX-LURJTMIESA-N 1 2 229.230 1.211 20 0 BDADLO O=C(NCC(F)F)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335785772 355435532 /nfs/dbraw/zinc/43/55/32/355435532.db2.gz GDUSXHJMRQNRRX-LURJTMIESA-N 1 2 229.230 1.211 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cccc(Cl)c1F ZINC000349854765 355497521 /nfs/dbraw/zinc/49/75/21/355497521.db2.gz QVAWOJKFIMBWHN-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cccc(Cl)c1F ZINC000349854765 355497526 /nfs/dbraw/zinc/49/75/26/355497526.db2.gz QVAWOJKFIMBWHN-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO C[N@H+](Cc1ccccc1F)[C@@H]1CCCNC1=O ZINC000335812080 355498144 /nfs/dbraw/zinc/49/81/44/355498144.db2.gz OGMUCGDZLXVCJC-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCCNC1=O ZINC000335812080 355498148 /nfs/dbraw/zinc/49/81/48/355498148.db2.gz OGMUCGDZLXVCJC-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO C[C@@H]1CCN(Cc2cc[nH+]c(N)c2)CC1(F)F ZINC000335813668 355502078 /nfs/dbraw/zinc/50/20/78/355502078.db2.gz BMYZJKGMBLPVOG-SECBINFHSA-N 1 2 241.285 1.971 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 ZINC000335795129 355451299 /nfs/dbraw/zinc/45/12/99/355451299.db2.gz JJROQFNFBVKHAW-AAEUAGOBSA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH]c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 ZINC000335795129 355451302 /nfs/dbraw/zinc/45/13/02/355451302.db2.gz JJROQFNFBVKHAW-AAEUAGOBSA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH+]c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)[nH]1 ZINC000335795129 355451306 /nfs/dbraw/zinc/45/13/06/355451306.db2.gz JJROQFNFBVKHAW-AAEUAGOBSA-N 1 2 247.342 1.943 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncn2C)C[C@@H](C2CC2)O1 ZINC000335807457 355480133 /nfs/dbraw/zinc/48/01/33/355480133.db2.gz LNYRNYDDULBELM-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncn2C)C[C@@H](C2CC2)O1 ZINC000335807457 355480136 /nfs/dbraw/zinc/48/01/36/355480136.db2.gz LNYRNYDDULBELM-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C2CC2)O1 ZINC000335807457 355480141 /nfs/dbraw/zinc/48/01/41/355480141.db2.gz LNYRNYDDULBELM-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000349974760 355553479 /nfs/dbraw/zinc/55/34/79/355553479.db2.gz QPRUQWCFOVEICX-VIFPVBQESA-N 1 2 245.319 1.117 20 0 BDADLO CC(C)OCC[C@@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000349886413 355518400 /nfs/dbraw/zinc/51/84/00/355518400.db2.gz WTKZNFQBKVUJHV-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OCC[C@@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000349886413 355518405 /nfs/dbraw/zinc/51/84/05/355518405.db2.gz WTKZNFQBKVUJHV-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO C[NH2+]Cc1noc([C@@H](C)OCCC(C)C)n1 ZINC000349896542 355521385 /nfs/dbraw/zinc/52/13/85/355521385.db2.gz RIDSPTYWDWGYIC-SECBINFHSA-N 1 2 227.308 1.913 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1nnc[nH]1 ZINC000349906643 355523916 /nfs/dbraw/zinc/52/39/16/355523916.db2.gz XNKDPVIIRKMELM-ZCFIWIBFSA-N 1 2 229.247 1.249 20 0 BDADLO C[NH2+]Cc1noc(COc2ccc(C)c(C)c2)n1 ZINC000349913978 355524915 /nfs/dbraw/zinc/52/49/15/355524915.db2.gz SDVIDWFOJOREFU-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1ccc(NC(=O)CC(=O)N(C)C)c(C)[nH+]1 ZINC000335857107 355602175 /nfs/dbraw/zinc/60/21/75/355602175.db2.gz HSUWLQHTWZSVEJ-UHFFFAOYSA-N 1 2 235.287 1.115 20 0 BDADLO CS[C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000033227214 355571345 /nfs/dbraw/zinc/57/13/45/355571345.db2.gz VQHYSKLPLKDSPA-SECBINFHSA-N 1 2 249.339 1.702 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000639302847 355650213 /nfs/dbraw/zinc/65/02/13/355650213.db2.gz OKIXZQIXVQUNDY-JTQLQIEISA-N 1 2 227.308 1.625 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000639302847 355650217 /nfs/dbraw/zinc/65/02/17/355650217.db2.gz OKIXZQIXVQUNDY-JTQLQIEISA-N 1 2 227.308 1.625 20 0 BDADLO CCCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000583573136 355655658 /nfs/dbraw/zinc/65/56/58/355655658.db2.gz LPKYNCCNGJDDPS-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO CCCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000583573136 355655662 /nfs/dbraw/zinc/65/56/62/355655662.db2.gz LPKYNCCNGJDDPS-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000336392802 181202825 /nfs/dbraw/zinc/20/28/25/181202825.db2.gz FTOISDUOYDBECS-MRVPVSSYSA-N 1 2 228.683 1.319 20 0 BDADLO NC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000336392802 181202826 /nfs/dbraw/zinc/20/28/26/181202826.db2.gz FTOISDUOYDBECS-MRVPVSSYSA-N 1 2 228.683 1.319 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2ccon2)C1 ZINC000639309521 355665779 /nfs/dbraw/zinc/66/57/79/355665779.db2.gz CBMJRRDGFHWWAD-UHFFFAOYSA-N 1 2 236.315 1.923 20 0 BDADLO NC(=O)C[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000330614297 181203254 /nfs/dbraw/zinc/20/32/54/181203254.db2.gz RWKIFALWHHHJMG-MRVPVSSYSA-N 1 2 240.332 1.675 20 0 BDADLO NC(=O)C[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000330614297 181203255 /nfs/dbraw/zinc/20/32/55/181203255.db2.gz RWKIFALWHHHJMG-MRVPVSSYSA-N 1 2 240.332 1.675 20 0 BDADLO Cc1ccc(CN2CCCS2(=O)=O)c(C)[nH+]1 ZINC000335895348 355690294 /nfs/dbraw/zinc/69/02/94/355690294.db2.gz QQCRVRSVLXHMER-UHFFFAOYSA-N 1 2 240.328 1.234 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+]1Cc2cnn(C)c2C1 ZINC000639321830 355723007 /nfs/dbraw/zinc/72/30/07/355723007.db2.gz MCJDWRARJAAVAD-GFCCVEGCSA-N 1 2 237.347 1.797 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+]1Cc2cnn(C)c2C1 ZINC000639321830 355723011 /nfs/dbraw/zinc/72/30/11/355723011.db2.gz MCJDWRARJAAVAD-GFCCVEGCSA-N 1 2 237.347 1.797 20 0 BDADLO Fc1cncc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000335883105 355673350 /nfs/dbraw/zinc/67/33/50/355673350.db2.gz CGUKPKFFHMISDZ-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cncc(C[N@H+]2CCOCC23CCC3)c1 ZINC000335883105 355673353 /nfs/dbraw/zinc/67/33/53/355673353.db2.gz CGUKPKFFHMISDZ-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(C)n2)C[C@@H](C)O1 ZINC000350703429 355744916 /nfs/dbraw/zinc/74/49/16/355744916.db2.gz WBYJDGPFTFKDTO-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(C)n2)C[C@@H](C)O1 ZINC000350703429 355744917 /nfs/dbraw/zinc/74/49/17/355744917.db2.gz WBYJDGPFTFKDTO-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC[C@@H]2CCO2)s1 ZINC000639332209 355756829 /nfs/dbraw/zinc/75/68/29/355756829.db2.gz GMVJANRVLOAOIS-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC[C@@H]2CCO2)s1 ZINC000639332209 355756831 /nfs/dbraw/zinc/75/68/31/355756831.db2.gz GMVJANRVLOAOIS-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1noc(C)n1)OC ZINC000639332043 355758618 /nfs/dbraw/zinc/75/86/18/355758618.db2.gz FIOSYLQASDZAPA-ONGXEEELSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1noc(C)n1)OC ZINC000639332043 355758622 /nfs/dbraw/zinc/75/86/22/355758622.db2.gz FIOSYLQASDZAPA-ONGXEEELSA-N 1 2 241.335 1.871 20 0 BDADLO Cc1nc(C[N@H+](C)CC2CCSCC2)no1 ZINC000639332570 355759615 /nfs/dbraw/zinc/75/96/15/355759615.db2.gz NGXBQCIBSCNJLI-UHFFFAOYSA-N 1 2 241.360 1.953 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2CCSCC2)no1 ZINC000639332570 355759618 /nfs/dbraw/zinc/75/96/18/355759618.db2.gz NGXBQCIBSCNJLI-UHFFFAOYSA-N 1 2 241.360 1.953 20 0 BDADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000623246597 355759809 /nfs/dbraw/zinc/75/98/09/355759809.db2.gz WYKTVOYJVNLGRD-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO COC(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000052277309 355762211 /nfs/dbraw/zinc/76/22/11/355762211.db2.gz AKTIWGICHHJVSW-NSCUHMNNSA-N 1 2 218.684 1.123 20 0 BDADLO COc1cc(C[NH2+]Cc2ccns2)on1 ZINC000639326872 355733129 /nfs/dbraw/zinc/73/31/29/355733129.db2.gz WWGUCXCIFGQGDV-UHFFFAOYSA-N 1 2 225.273 1.430 20 0 BDADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000639342527 355785063 /nfs/dbraw/zinc/78/50/63/355785063.db2.gz WYARPSLOPDADBK-MFKMUULPSA-N 1 2 246.314 1.671 20 0 BDADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000639342527 355785065 /nfs/dbraw/zinc/78/50/65/355785065.db2.gz WYARPSLOPDADBK-MFKMUULPSA-N 1 2 246.314 1.671 20 0 BDADLO COCc1cc(C[NH2+]CC(C)(C)F)no1 ZINC000639357881 355811983 /nfs/dbraw/zinc/81/19/83/355811983.db2.gz BCVDDCXTCZCLRI-UHFFFAOYSA-N 1 2 216.256 1.659 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000628363289 355846960 /nfs/dbraw/zinc/84/69/60/355846960.db2.gz FELWNQFMABJGJO-CYBMUJFWSA-N 1 2 242.326 1.842 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000628363289 355846962 /nfs/dbraw/zinc/84/69/62/355846962.db2.gz FELWNQFMABJGJO-CYBMUJFWSA-N 1 2 242.326 1.842 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cc2cnccc2o1 ZINC000628364103 355850888 /nfs/dbraw/zinc/85/08/88/355850888.db2.gz MDSHENWCWKQNTI-MRVPVSSYSA-N 1 2 243.270 1.797 20 0 BDADLO CC(C)Cn1nccc1C[NH2+]Cc1ncc[nH]1 ZINC000639371091 355866082 /nfs/dbraw/zinc/86/60/82/355866082.db2.gz IDEFTTIHYBSKMT-UHFFFAOYSA-N 1 2 233.319 1.552 20 0 BDADLO CC1([NH2+]Cc2nc3ccccc3o2)COC1 ZINC000639381701 355922561 /nfs/dbraw/zinc/92/25/61/355922561.db2.gz ZRPAZKZRAVEJNK-UHFFFAOYSA-N 1 2 218.256 1.706 20 0 BDADLO CCc1cc(NCCC(=O)OC(C)C)nc[nH+]1 ZINC000609585195 355923870 /nfs/dbraw/zinc/92/38/70/355923870.db2.gz CDNXWRJYWZFXRE-UHFFFAOYSA-N 1 2 237.303 1.215 20 0 BDADLO c1nc(C2CC2)oc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000628370909 355883885 /nfs/dbraw/zinc/88/38/85/355883885.db2.gz OOWZTGJKTIBVQJ-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO c1nc(C2CC2)oc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000628370909 355883890 /nfs/dbraw/zinc/88/38/90/355883890.db2.gz OOWZTGJKTIBVQJ-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO C[C@@H]1CC=C(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256804 355974642 /nfs/dbraw/zinc/97/46/42/355974642.db2.gz VTWAOUWSRFWGFX-PWSUYJOCSA-N 1 2 245.326 1.670 20 0 BDADLO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351489482 355999159 /nfs/dbraw/zinc/99/91/59/355999159.db2.gz HHJABERVELONMW-GXSJLCMTSA-N 1 2 239.319 1.797 20 0 BDADLO COC[C@@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000351489482 355999162 /nfs/dbraw/zinc/99/91/62/355999162.db2.gz HHJABERVELONMW-GXSJLCMTSA-N 1 2 239.319 1.797 20 0 BDADLO C[C@@]1(O)CCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000367116824 355951546 /nfs/dbraw/zinc/95/15/46/355951546.db2.gz IKIFATLLSYENCI-CYBMUJFWSA-N 1 2 244.298 1.228 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCOC(C)C)o1 ZINC000351522105 356007739 /nfs/dbraw/zinc/00/77/39/356007739.db2.gz WRTDRSOVQOYGQJ-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCOC(C)C)o1 ZINC000351522105 356007742 /nfs/dbraw/zinc/00/77/42/356007742.db2.gz WRTDRSOVQOYGQJ-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351202675 355960998 /nfs/dbraw/zinc/96/09/98/355960998.db2.gz MRFZULMVMXHPLU-LBPRGKRZSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351202675 355960999 /nfs/dbraw/zinc/96/09/99/355960999.db2.gz MRFZULMVMXHPLU-LBPRGKRZSA-N 1 2 242.363 1.115 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CCC(C)CC1)[C@@H](C)O ZINC000351521843 356007418 /nfs/dbraw/zinc/00/74/18/356007418.db2.gz IOWHJXRCXNPPGA-RSJDFQLWSA-N 1 2 243.347 1.325 20 0 BDADLO CCCn1cc(CNc2cccc(CO)[nH+]2)cn1 ZINC000351265649 355969304 /nfs/dbraw/zinc/96/93/04/355969304.db2.gz CIJONBOFKUHNJP-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO CCn1nccc1CNc1cccc(CO)[nH+]1 ZINC000351273205 355971400 /nfs/dbraw/zinc/97/14/00/355971400.db2.gz VWASWUYOVPRKGX-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO C[C@@H]1C[N@H+](CCCCO)C[C@@H](C(F)(F)F)O1 ZINC000608750358 355971987 /nfs/dbraw/zinc/97/19/87/355971987.db2.gz NWGODEYGPRHDDG-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1C[N@@H+](CCCCO)C[C@@H](C(F)(F)F)O1 ZINC000608750358 355971992 /nfs/dbraw/zinc/97/19/92/355971992.db2.gz NWGODEYGPRHDDG-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1C[N@H+](CCCCO)C[C@H](C(F)(F)F)O1 ZINC000608750361 355972186 /nfs/dbraw/zinc/97/21/86/355972186.db2.gz NWGODEYGPRHDDG-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1C[N@@H+](CCCCO)C[C@H](C(F)(F)F)O1 ZINC000608750361 355972190 /nfs/dbraw/zinc/97/21/90/355972190.db2.gz NWGODEYGPRHDDG-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2c1CCO2 ZINC000336073288 134072736 /nfs/dbraw/zinc/07/27/36/134072736.db2.gz SDDIZTNUGDQNEF-UHFFFAOYSA-N 1 2 229.283 1.967 20 0 BDADLO Cc1csc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000623257159 356018508 /nfs/dbraw/zinc/01/85/08/356018508.db2.gz FUOFITDWLWMYDC-VIFPVBQESA-N 1 2 247.323 1.608 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257212 356023030 /nfs/dbraw/zinc/02/30/30/356023030.db2.gz HHEWHSWPKSUKIO-UHIISALHSA-N 1 2 247.342 1.750 20 0 BDADLO NC(=O)C[N@H+]1CC=C(c2cccc(F)c2)CC1 ZINC000370234541 181231976 /nfs/dbraw/zinc/23/19/76/181231976.db2.gz CEAAFFFMLRNJAH-UHFFFAOYSA-N 1 2 234.274 1.400 20 0 BDADLO NC(=O)C[N@@H+]1CC=C(c2cccc(F)c2)CC1 ZINC000370234541 181231977 /nfs/dbraw/zinc/23/19/77/181231977.db2.gz CEAAFFFMLRNJAH-UHFFFAOYSA-N 1 2 234.274 1.400 20 0 BDADLO NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559726 181232837 /nfs/dbraw/zinc/23/28/37/181232837.db2.gz UKHPSDYGKMYGEH-NSHDSACASA-N 1 2 236.340 1.262 20 0 BDADLO NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559726 181232839 /nfs/dbraw/zinc/23/28/39/181232839.db2.gz UKHPSDYGKMYGEH-NSHDSACASA-N 1 2 236.340 1.262 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257729 356027445 /nfs/dbraw/zinc/02/74/45/356027445.db2.gz SFNHIVZWKMFBGW-NTZNESFSSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000351611084 356027680 /nfs/dbraw/zinc/02/76/80/356027680.db2.gz YKTSUZSVWUCLLN-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000351611084 356027686 /nfs/dbraw/zinc/02/76/86/356027686.db2.gz YKTSUZSVWUCLLN-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000351739698 356077641 /nfs/dbraw/zinc/07/76/41/356077641.db2.gz UEJMFHTZNVLWCO-GHMZBOCLSA-N 1 2 243.310 1.997 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261450 356152550 /nfs/dbraw/zinc/15/25/50/356152550.db2.gz ROFJHACAKISFFC-SUHUHFCYSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1ncsc1C[N@H+]1CCN(C)C[C@@H]1C ZINC000335917048 356160319 /nfs/dbraw/zinc/16/03/19/356160319.db2.gz DYQASCBPCUOAIJ-VIFPVBQESA-N 1 2 225.361 1.587 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCN(C)C[C@@H]1C ZINC000335917048 356160320 /nfs/dbraw/zinc/16/03/20/356160320.db2.gz DYQASCBPCUOAIJ-VIFPVBQESA-N 1 2 225.361 1.587 20 0 BDADLO COC(=O)C[N@H+](CC[C@H](C)F)C1CC1 ZINC000351894645 356164944 /nfs/dbraw/zinc/16/49/44/356164944.db2.gz YSGVGNFYIJDCJM-QMMMGPOBSA-N 1 2 203.257 1.372 20 0 BDADLO COC(=O)C[N@@H+](CC[C@H](C)F)C1CC1 ZINC000351894645 356164948 /nfs/dbraw/zinc/16/49/48/356164948.db2.gz YSGVGNFYIJDCJM-QMMMGPOBSA-N 1 2 203.257 1.372 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)co1 ZINC000623261145 356148223 /nfs/dbraw/zinc/14/82/23/356148223.db2.gz AKHNDRSFIDWDBO-SNVBAGLBSA-N 1 2 231.255 1.139 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)CC2)[nH]1 ZINC000335914820 356152053 /nfs/dbraw/zinc/15/20/53/356152053.db2.gz TVIZYNMFXHVJOZ-QMMMGPOBSA-N 1 2 226.349 1.441 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)CC2)[nH]1 ZINC000335914820 356152057 /nfs/dbraw/zinc/15/20/57/356152057.db2.gz TVIZYNMFXHVJOZ-QMMMGPOBSA-N 1 2 226.349 1.441 20 0 BDADLO CC[C@@H](OC)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332375968 356213701 /nfs/dbraw/zinc/21/37/01/356213701.db2.gz DUXPOPFBAWDGAC-VHSXEESVSA-N 1 2 237.303 1.498 20 0 BDADLO CN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CC1(C)C ZINC000336108191 134085229 /nfs/dbraw/zinc/08/52/29/134085229.db2.gz UFWDUJUTXPADOM-SECBINFHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000623264696 356236146 /nfs/dbraw/zinc/23/61/46/356236146.db2.gz QPYNNQBXTOOMGA-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(CCC(F)(F)F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264748 356236543 /nfs/dbraw/zinc/23/65/43/356236543.db2.gz SFSFCYVWIZIPQN-ZETCQYMHSA-N 1 2 247.220 1.267 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1c(C)cc(C)nc1C ZINC000639450137 356233878 /nfs/dbraw/zinc/23/38/78/356233878.db2.gz HQNFBLIBJSHKJM-UHFFFAOYSA-N 1 2 235.331 1.185 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000639450137 356233882 /nfs/dbraw/zinc/23/38/82/356233882.db2.gz HQNFBLIBJSHKJM-UHFFFAOYSA-N 1 2 235.331 1.185 20 0 BDADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000623265450 356297851 /nfs/dbraw/zinc/29/78/51/356297851.db2.gz GLFDDTQSCAWWPG-UWVGGRQHSA-N 1 2 235.331 1.606 20 0 BDADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000623266315 356304528 /nfs/dbraw/zinc/30/45/28/356304528.db2.gz YAIWJUDWYQVXJZ-ZJUUUORDSA-N 1 2 245.282 1.321 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623266292 356304595 /nfs/dbraw/zinc/30/45/95/356304595.db2.gz XJGWKHHSGVFPIX-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)C2CCC2)[C@@H](C)CO1 ZINC000617742747 356305240 /nfs/dbraw/zinc/30/52/40/356305240.db2.gz AEKOINGNPNHXBR-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)C2CCC2)[C@@H](C)CO1 ZINC000617742747 356305243 /nfs/dbraw/zinc/30/52/43/356305243.db2.gz AEKOINGNPNHXBR-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H]1CC(C)(C)CO1 ZINC000639494571 356319578 /nfs/dbraw/zinc/31/95/78/356319578.db2.gz IZIAXBXKDSNIOZ-LLVKDONJSA-N 1 2 224.304 1.922 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H]1CC(C)(C)CO1 ZINC000639494571 356319581 /nfs/dbraw/zinc/31/95/81/356319581.db2.gz IZIAXBXKDSNIOZ-LLVKDONJSA-N 1 2 224.304 1.922 20 0 BDADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(C)=O ZINC000639507737 356334882 /nfs/dbraw/zinc/33/48/82/356334882.db2.gz MGPXPVBVVLYHEJ-OLZOCXBDSA-N 1 2 240.347 1.297 20 0 BDADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(C)=O ZINC000639507737 356334886 /nfs/dbraw/zinc/33/48/86/356334886.db2.gz MGPXPVBVVLYHEJ-OLZOCXBDSA-N 1 2 240.347 1.297 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@H](O)C1CC1 ZINC000639515735 356352605 /nfs/dbraw/zinc/35/26/05/356352605.db2.gz UZWLEOZLRYUUKW-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000639515735 356352606 /nfs/dbraw/zinc/35/26/06/356352606.db2.gz UZWLEOZLRYUUKW-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)[N@H+](CCc1cnccn1)CC(F)F ZINC000639520891 356367040 /nfs/dbraw/zinc/36/70/40/356367040.db2.gz WNUMSAJGGKDJCK-UHFFFAOYSA-N 1 2 229.274 1.995 20 0 BDADLO CC(C)[N@@H+](CCc1cnccn1)CC(F)F ZINC000639520891 356367043 /nfs/dbraw/zinc/36/70/43/356367043.db2.gz WNUMSAJGGKDJCK-UHFFFAOYSA-N 1 2 229.274 1.995 20 0 BDADLO CC[C@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336140706 134100089 /nfs/dbraw/zinc/10/00/89/134100089.db2.gz NNTJVLPOOHNRSI-QWRGUYRKSA-N 1 2 235.331 1.782 20 0 BDADLO CC(=O)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000639537257 356389681 /nfs/dbraw/zinc/38/96/81/356389681.db2.gz SQTXRUWPSUUQLG-UHFFFAOYSA-N 1 2 212.318 1.865 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336623558 356411803 /nfs/dbraw/zinc/41/18/03/356411803.db2.gz VPALOMJPMJEBRL-SNVBAGLBSA-N 1 2 235.331 1.944 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623276459 356417070 /nfs/dbraw/zinc/41/70/70/356417070.db2.gz BQIIECYBLWJRHH-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000639545090 356406206 /nfs/dbraw/zinc/40/62/06/356406206.db2.gz QISVWZFZNDYLIP-UHFFFAOYSA-N 1 2 215.247 1.813 20 0 BDADLO CCC(F)(F)C[N@H+]1CCc2c[nH]nc2C1 ZINC000639545090 356406208 /nfs/dbraw/zinc/40/62/08/356406208.db2.gz QISVWZFZNDYLIP-UHFFFAOYSA-N 1 2 215.247 1.813 20 0 BDADLO O=C(CC1CCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623281289 356457346 /nfs/dbraw/zinc/45/73/46/356457346.db2.gz RJNQESWPHUAEPS-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000639556310 356459519 /nfs/dbraw/zinc/45/95/19/356459519.db2.gz NGLUZYOVDXQVDD-LLVKDONJSA-N 1 2 248.330 1.451 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000639556310 356459521 /nfs/dbraw/zinc/45/95/21/356459521.db2.gz NGLUZYOVDXQVDD-LLVKDONJSA-N 1 2 248.330 1.451 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC000019470400 356483436 /nfs/dbraw/zinc/48/34/36/356483436.db2.gz KOVASZLBOVLHCU-LURJTMIESA-N 1 2 229.330 1.053 20 0 BDADLO Cc1nc(N2CCC[C@H](CCO)CC2)cc[nH+]1 ZINC000420636711 192253322 /nfs/dbraw/zinc/25/33/22/192253322.db2.gz GZACFGNPTIIMBT-LBPRGKRZSA-N 1 2 235.331 1.774 20 0 BDADLO CC[C@@H](C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000420648099 192255462 /nfs/dbraw/zinc/25/54/62/192255462.db2.gz CTFYSCBQGMKBRG-NXEZZACHSA-N 1 2 238.335 1.149 20 0 BDADLO CC[C@@H](C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000420648099 192255464 /nfs/dbraw/zinc/25/54/64/192255464.db2.gz CTFYSCBQGMKBRG-NXEZZACHSA-N 1 2 238.335 1.149 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000088077766 356479007 /nfs/dbraw/zinc/47/90/07/356479007.db2.gz BLEKJXKNSOQBQE-UHFFFAOYSA-N 1 2 249.310 1.920 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccc(O)cc1)C1CC1 ZINC000088077766 356479010 /nfs/dbraw/zinc/47/90/10/356479010.db2.gz BLEKJXKNSOQBQE-UHFFFAOYSA-N 1 2 249.310 1.920 20 0 BDADLO Cc1[nH]nc2ncc(CNc3c[nH]c[nH+]3)cc12 ZINC000578104487 366251328 /nfs/dbraw/zinc/25/13/28/366251328.db2.gz BZVQNTIVMQWMLD-UHFFFAOYSA-N 1 2 228.259 1.602 20 0 BDADLO CCC(F)(F)C[N@H+](C)CC1(O)CCOCC1 ZINC000639602549 356522110 /nfs/dbraw/zinc/52/21/10/356522110.db2.gz WBDGCKCVGXEBND-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CC1(O)CCOCC1 ZINC000639602549 356522112 /nfs/dbraw/zinc/52/21/12/356522112.db2.gz WBDGCKCVGXEBND-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H](CC)O1 ZINC000420964258 192282665 /nfs/dbraw/zinc/28/26/65/192282665.db2.gz WMTKRBUNUMAVRZ-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H](CC)O1 ZINC000420964258 192282667 /nfs/dbraw/zinc/28/26/67/192282667.db2.gz WMTKRBUNUMAVRZ-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000639597069 356515458 /nfs/dbraw/zinc/51/54/58/356515458.db2.gz BHFNHAAXKNELKK-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000639597069 356515462 /nfs/dbraw/zinc/51/54/62/356515462.db2.gz BHFNHAAXKNELKK-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000639597064 356515613 /nfs/dbraw/zinc/51/56/13/356515613.db2.gz BHFNHAAXKNELKK-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000639597064 356515616 /nfs/dbraw/zinc/51/56/16/356515616.db2.gz BHFNHAAXKNELKK-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000623296272 356542283 /nfs/dbraw/zinc/54/22/83/356542283.db2.gz FQZGVGOEHLOSCX-QCNOEVLYSA-N 1 2 245.326 1.360 20 0 BDADLO CC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000639624127 356543291 /nfs/dbraw/zinc/54/32/91/356543291.db2.gz PDEYLMCOZUVYMM-FRRDWIJNSA-N 1 2 241.331 1.234 20 0 BDADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000639624127 356543296 /nfs/dbraw/zinc/54/32/96/356543296.db2.gz PDEYLMCOZUVYMM-FRRDWIJNSA-N 1 2 241.331 1.234 20 0 BDADLO CCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297048 356547926 /nfs/dbraw/zinc/54/79/26/356547926.db2.gz VZFCFBZCJVMOOT-SECBINFHSA-N 1 2 207.277 1.114 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000449847913 202044337 /nfs/dbraw/zinc/04/43/37/202044337.db2.gz CMWWWSKSLGXGTM-VHSXEESVSA-N 1 2 234.299 1.974 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623299833 356559479 /nfs/dbraw/zinc/55/94/79/356559479.db2.gz DIXMLWRGUXLAIM-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000639649076 356560977 /nfs/dbraw/zinc/56/09/77/356560977.db2.gz NUKSLRJTCHVMQK-SNVBAGLBSA-N 1 2 227.695 1.372 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000639649076 356560980 /nfs/dbraw/zinc/56/09/80/356560980.db2.gz NUKSLRJTCHVMQK-SNVBAGLBSA-N 1 2 227.695 1.372 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421042377 192310836 /nfs/dbraw/zinc/31/08/36/192310836.db2.gz ZLGVAWRQHYDGRD-CYBMUJFWSA-N 1 2 240.347 1.156 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421042377 192310839 /nfs/dbraw/zinc/31/08/39/192310839.db2.gz ZLGVAWRQHYDGRD-CYBMUJFWSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421041777 192311294 /nfs/dbraw/zinc/31/12/94/192311294.db2.gz YRDRDFFQULCNDD-YPMHNXCESA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421041777 192311296 /nfs/dbraw/zinc/31/12/96/192311296.db2.gz YRDRDFFQULCNDD-YPMHNXCESA-N 1 2 240.347 1.012 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299648 356566386 /nfs/dbraw/zinc/56/63/86/356566386.db2.gz AGBNOPFGMLZNOR-LLVKDONJSA-N 1 2 249.314 1.073 20 0 BDADLO CC[N@H+](Cc1nc(C2CCC2)no1)[C@@H](C)CO ZINC000639656424 356571795 /nfs/dbraw/zinc/57/17/95/356571795.db2.gz HELFWTFWTILBHW-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@@H+](Cc1nc(C2CCC2)no1)[C@@H](C)CO ZINC000639656424 356571800 /nfs/dbraw/zinc/57/18/00/356571800.db2.gz HELFWTFWTILBHW-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(CC3CC3)no2)[C@H]1C ZINC000639656145 356572188 /nfs/dbraw/zinc/57/21/88/356572188.db2.gz PAUMJCRBAUVXCW-IUCAKERBSA-N 1 2 221.304 1.862 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(CC3CC3)no2)[C@H]1C ZINC000639656145 356572191 /nfs/dbraw/zinc/57/21/91/356572191.db2.gz PAUMJCRBAUVXCW-IUCAKERBSA-N 1 2 221.304 1.862 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC000336210338 134134204 /nfs/dbraw/zinc/13/42/04/134134204.db2.gz DXTWGEIQVUVLOX-RKDXNWHRSA-N 1 2 231.679 1.125 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC000336210338 134134205 /nfs/dbraw/zinc/13/42/05/134134205.db2.gz DXTWGEIQVUVLOX-RKDXNWHRSA-N 1 2 231.679 1.125 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000449907403 202051939 /nfs/dbraw/zinc/05/19/39/202051939.db2.gz NJASXISFUKSUHF-KOLCDFICSA-N 1 2 221.304 1.852 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000449907403 202051942 /nfs/dbraw/zinc/05/19/42/202051942.db2.gz NJASXISFUKSUHF-KOLCDFICSA-N 1 2 221.304 1.852 20 0 BDADLO O=C(CC1CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301153 356575363 /nfs/dbraw/zinc/57/53/63/356575363.db2.gz FWZYJMZFAPACRD-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO O=C(Cc1ccoc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303826 356594168 /nfs/dbraw/zinc/59/41/68/356594168.db2.gz LTHJNDCHKPIQJC-NSHDSACASA-N 1 2 245.282 1.150 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@](C)(F)C2)nn1 ZINC000336215445 134136667 /nfs/dbraw/zinc/13/66/67/134136667.db2.gz NCRYXSWEUORSSA-JTQLQIEISA-N 1 2 212.272 1.139 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@](C)(F)C2)nn1 ZINC000336215445 134136668 /nfs/dbraw/zinc/13/66/68/134136668.db2.gz NCRYXSWEUORSSA-JTQLQIEISA-N 1 2 212.272 1.139 20 0 BDADLO CC1(NC(=O)Nc2ccc3[nH+]ccn3c2)COC1 ZINC000639699774 356607696 /nfs/dbraw/zinc/60/76/96/356607696.db2.gz MADCSFNOKGRPDR-UHFFFAOYSA-N 1 2 246.270 1.245 20 0 BDADLO C[C@]12COC[C@@H]1CN(c1cc(CO)cc[nH+]1)C2 ZINC000630093144 363521032 /nfs/dbraw/zinc/52/10/32/363521032.db2.gz MHYPUVKGHKFHOD-AAEUAGOBSA-N 1 2 234.299 1.047 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1cnc(C2CC2)o1 ZINC000639718088 356617782 /nfs/dbraw/zinc/61/77/82/356617782.db2.gz RBUMBQJSGHTEFS-UHFFFAOYSA-N 1 2 245.238 1.327 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cnc(C2CC2)o1 ZINC000639726337 356622309 /nfs/dbraw/zinc/62/23/09/356622309.db2.gz WDVDHNBUCXCJHB-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO CNc1nc(N2CC[C@H](C)C2)[nH+]c2ccccc21 ZINC000450298072 202123400 /nfs/dbraw/zinc/12/34/00/202123400.db2.gz LQZRVMIIYSNHCU-JTQLQIEISA-N 1 2 242.326 1.940 20 0 BDADLO C[C@@]1(C2CC2)CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000630094921 363541567 /nfs/dbraw/zinc/54/15/67/363541567.db2.gz MXGFMIFPGRGMMT-AWEZNQCLSA-N 1 2 248.326 1.579 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000630095101 363545806 /nfs/dbraw/zinc/54/58/06/363545806.db2.gz RZNGDEFCTSMLBH-GXTWGEPZSA-N 1 2 248.326 1.173 20 0 BDADLO CC(=O)C[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639745963 356637584 /nfs/dbraw/zinc/63/75/84/356637584.db2.gz WGGUDAVDJAQNRE-NSHDSACASA-N 1 2 212.337 1.238 20 0 BDADLO CC(=O)C[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639745963 356637586 /nfs/dbraw/zinc/63/75/86/356637586.db2.gz WGGUDAVDJAQNRE-NSHDSACASA-N 1 2 212.337 1.238 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000450265771 202114793 /nfs/dbraw/zinc/11/47/93/202114793.db2.gz ZAGJVQYMDLMQFD-UHFFFAOYSA-N 1 2 241.360 1.620 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000450265771 202114795 /nfs/dbraw/zinc/11/47/95/202114795.db2.gz ZAGJVQYMDLMQFD-UHFFFAOYSA-N 1 2 241.360 1.620 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)C[C@@H]1CCCO1 ZINC000450271492 202116415 /nfs/dbraw/zinc/11/64/15/202116415.db2.gz QQCSASHDVDSAFM-IUCAKERBSA-N 1 2 227.333 1.710 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000450271492 202116417 /nfs/dbraw/zinc/11/64/17/202116417.db2.gz QQCSASHDVDSAFM-IUCAKERBSA-N 1 2 227.333 1.710 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@H](C)c1csnn1 ZINC000450342012 202134165 /nfs/dbraw/zinc/13/41/65/202134165.db2.gz OZEDBYOKFQQWAN-MRVPVSSYSA-N 1 2 243.332 1.484 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@H](C)c1csnn1 ZINC000450342012 202134168 /nfs/dbraw/zinc/13/41/68/202134168.db2.gz OZEDBYOKFQQWAN-MRVPVSSYSA-N 1 2 243.332 1.484 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493484271 538494229 /nfs/dbraw/zinc/49/42/29/538494229.db2.gz OUHPDYDXBJWZHT-KWMOZEJZSA-N 1 2 219.288 1.822 20 0 BDADLO C[C@@H]1C[C@H](c2noc(C[NH+](C)C)n2)CCO1 ZINC000350649761 366316222 /nfs/dbraw/zinc/31/62/22/366316222.db2.gz HQTRWNLTHBWXJF-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO Cc1cc(-c2nc(Cc3c[nH+]cn3C)no2)on1 ZINC000350658024 366317332 /nfs/dbraw/zinc/31/73/32/366317332.db2.gz MARIABVLBKRYMM-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC[C@H](C)O ZINC000450345952 202137492 /nfs/dbraw/zinc/13/74/92/202137492.db2.gz GRUDSIVQKKLBEO-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccccc1 ZINC000041538590 358510615 /nfs/dbraw/zinc/51/06/15/358510615.db2.gz ATILOQJXQSBIIR-UHFFFAOYSA-N 1 2 215.256 1.350 20 0 BDADLO O=C1CC[C@@H](C[N@@H+](CC(F)F)C2CC2)CCN1 ZINC000450394892 202152062 /nfs/dbraw/zinc/15/20/62/202152062.db2.gz RXRSNSSVGYFOPE-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO O=C1CC[C@@H](C[N@H+](CC(F)F)C2CC2)CCN1 ZINC000450394892 202152066 /nfs/dbraw/zinc/15/20/66/202152066.db2.gz RXRSNSSVGYFOPE-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO COC[C@@H]([NH2+]Cc1noc(C2CC2)n1)C(C)C ZINC000542522891 325033136 /nfs/dbraw/zinc/03/31/36/325033136.db2.gz NTRIMPHKGSDUJS-SNVBAGLBSA-N 1 2 239.319 1.708 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639780500 356729337 /nfs/dbraw/zinc/72/93/37/356729337.db2.gz IYPLXHRXJOSCLG-SNVBAGLBSA-N 1 2 247.302 1.692 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639780500 356729338 /nfs/dbraw/zinc/72/93/38/356729338.db2.gz IYPLXHRXJOSCLG-SNVBAGLBSA-N 1 2 247.302 1.692 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1ccns1 ZINC000639790348 356742710 /nfs/dbraw/zinc/74/27/10/356742710.db2.gz GFIIBVPYBGUYDR-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1ccns1 ZINC000639790348 356742711 /nfs/dbraw/zinc/74/27/11/356742711.db2.gz GFIIBVPYBGUYDR-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCCC1)CC2 ZINC000623343175 356746117 /nfs/dbraw/zinc/74/61/17/356746117.db2.gz DEECKRSPPBYHLZ-LBPRGKRZSA-N 1 2 247.342 1.766 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623345789 356752629 /nfs/dbraw/zinc/75/26/29/356752629.db2.gz TTZBOOJIXFQOIR-ONGXEEELSA-N 1 2 235.331 1.669 20 0 BDADLO Cc1nccnc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000639799991 356762314 /nfs/dbraw/zinc/76/23/14/356762314.db2.gz IBGDGXYPWSSYJK-NXEZZACHSA-N 1 2 233.315 1.442 20 0 BDADLO Cc1nc(-c2noc(Cc3c[nH+]cn3C)n2)co1 ZINC000350434366 538652816 /nfs/dbraw/zinc/65/28/16/538652816.db2.gz IURRCBIUSDPVFB-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO c1n[nH]c(=NCC2CC[NH+](C3CC3)CC2)s1 ZINC000450488992 202183498 /nfs/dbraw/zinc/18/34/98/202183498.db2.gz WESFOOHAJQKVNA-UHFFFAOYSA-N 1 2 238.360 1.246 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000639839429 356834093 /nfs/dbraw/zinc/83/40/93/356834093.db2.gz REUOZNAHOGUDQS-WDEREUQCSA-N 1 2 229.320 1.249 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000639839429 356834095 /nfs/dbraw/zinc/83/40/95/356834095.db2.gz REUOZNAHOGUDQS-WDEREUQCSA-N 1 2 229.320 1.249 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ncccc2C)CCO1 ZINC000639835022 356819487 /nfs/dbraw/zinc/81/94/87/356819487.db2.gz ANLBXLQHYUFWOE-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ncccc2C)CCO1 ZINC000639835022 356819491 /nfs/dbraw/zinc/81/94/91/356819491.db2.gz ANLBXLQHYUFWOE-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000639834109 356821338 /nfs/dbraw/zinc/82/13/38/356821338.db2.gz NUCWBNVQUDFQIF-JQWIXIFHSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2ccccn2)CCO1 ZINC000639834109 356821339 /nfs/dbraw/zinc/82/13/39/356821339.db2.gz NUCWBNVQUDFQIF-JQWIXIFHSA-N 1 2 222.288 1.447 20 0 BDADLO CNc1nc(NCC[C@@H](C)F)[nH+]c2ccccc21 ZINC000450544434 202193807 /nfs/dbraw/zinc/19/38/07/202193807.db2.gz OUALWYOSQRUWKV-SECBINFHSA-N 1 2 248.305 1.675 20 0 BDADLO Cc1[nH]nc(C(C)C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000155451791 538717445 /nfs/dbraw/zinc/71/74/45/538717445.db2.gz XYPGKVQSBFFWMV-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO Cc1n[nH]c(C(C)C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000155451791 538717451 /nfs/dbraw/zinc/71/74/51/538717451.db2.gz XYPGKVQSBFFWMV-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO Cc1cnccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000281954359 538719433 /nfs/dbraw/zinc/71/94/33/538719433.db2.gz SVYNZTSVHIBKQF-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cnccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000281954359 538719439 /nfs/dbraw/zinc/71/94/39/538719439.db2.gz SVYNZTSVHIBKQF-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345660 363569065 /nfs/dbraw/zinc/56/90/65/363569065.db2.gz ZJVXVFMQFUMCSJ-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345660 363569071 /nfs/dbraw/zinc/56/90/71/363569071.db2.gz ZJVXVFMQFUMCSJ-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO c1nn[nH]c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000450503068 202187985 /nfs/dbraw/zinc/18/79/85/202187985.db2.gz QYYIDOCLVIKDCQ-UHFFFAOYSA-N 1 2 249.362 1.255 20 0 BDADLO C[C@H](N[C@H](C(N)=O)c1ccccc1)c1[nH]cc[nH+]1 ZINC000353450603 538744251 /nfs/dbraw/zinc/74/42/51/538744251.db2.gz UQNPRJHWJPXFGC-ONGXEEELSA-N 1 2 244.298 1.287 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC ZINC000385128149 356905967 /nfs/dbraw/zinc/90/59/67/356905967.db2.gz KVKDCPXTLJNNFC-XFWSIPNHSA-N 1 2 215.293 1.094 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCCC(=O)CC ZINC000450561769 202198997 /nfs/dbraw/zinc/19/89/97/202198997.db2.gz VCSKBRDFIMZJKJ-JTQLQIEISA-N 1 2 229.320 1.629 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCCC(=O)CC ZINC000450561769 202199001 /nfs/dbraw/zinc/19/90/01/202199001.db2.gz VCSKBRDFIMZJKJ-JTQLQIEISA-N 1 2 229.320 1.629 20 0 BDADLO CC[N@@H+](Cc1nc(C)no1)C[C@H](C)OC ZINC000361570772 356933551 /nfs/dbraw/zinc/93/35/51/356933551.db2.gz XZUXGRBMDBOUJT-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1nc(C)no1)C[C@H](C)OC ZINC000361570772 356933553 /nfs/dbraw/zinc/93/35/53/356933553.db2.gz XZUXGRBMDBOUJT-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1cscn1 ZINC000450550530 202194483 /nfs/dbraw/zinc/19/44/83/202194483.db2.gz BXRISTIYUPBXLB-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1cscn1 ZINC000450550530 202194486 /nfs/dbraw/zinc/19/44/86/202194486.db2.gz BXRISTIYUPBXLB-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCO[C@H]2C2CC2)no1 ZINC000368896147 356979156 /nfs/dbraw/zinc/97/91/56/356979156.db2.gz LVUSSFPKNBSOOF-CABZTGNLSA-N 1 2 237.303 1.289 20 0 BDADLO CCc1nnc([C@H](C)N[C@H](C)c2[nH]cc[nH+]2)[nH]1 ZINC000353627140 538752440 /nfs/dbraw/zinc/75/24/40/538752440.db2.gz YUGFTKJJDCUECO-SFYZADRCSA-N 1 2 234.307 1.502 20 0 BDADLO Cc1cc(NC(CF)CF)nc(C2CC2)[nH+]1 ZINC000450594896 202204519 /nfs/dbraw/zinc/20/45/19/202204519.db2.gz SYZCVIONINSGJO-UHFFFAOYSA-N 1 2 227.258 1.804 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000369677200 356991811 /nfs/dbraw/zinc/99/18/11/356991811.db2.gz VZSGSAYMNFJKRM-VHSXEESVSA-N 1 2 237.303 1.243 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000369677200 356991814 /nfs/dbraw/zinc/99/18/14/356991814.db2.gz VZSGSAYMNFJKRM-VHSXEESVSA-N 1 2 237.303 1.243 20 0 BDADLO C[C@@H](CC(=O)NC1CC(F)(F)C1)n1cc[nH+]c1 ZINC000582305771 357043661 /nfs/dbraw/zinc/04/36/61/357043661.db2.gz MUTBRFQPBWYPIY-QMMMGPOBSA-N 1 2 243.257 1.748 20 0 BDADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(F)(F)F ZINC000582311415 357051246 /nfs/dbraw/zinc/05/12/46/357051246.db2.gz MLGTVWZRDWQCRQ-ZETCQYMHSA-N 1 2 238.253 1.395 20 0 BDADLO CCCC[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000300947632 357051588 /nfs/dbraw/zinc/05/15/88/357051588.db2.gz OPWFLLNBTQGKSJ-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO C/C=C/CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000626469948 357007299 /nfs/dbraw/zinc/00/72/99/357007299.db2.gz SQOKBWCJKUJDAP-SNAWJCMRSA-N 1 2 219.288 1.818 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCc1c[nH+]cn1C ZINC000355255823 538790761 /nfs/dbraw/zinc/79/07/61/538790761.db2.gz QNONIGLLDVXGGQ-DTWKUNHWSA-N 1 2 207.277 1.082 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Cc1ccccc1F ZINC000355275947 538792989 /nfs/dbraw/zinc/79/29/89/538792989.db2.gz ZIOWHQCZCYHAJR-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO Cc1nc(C)c(CNc2cc[nH+]c(C)n2)o1 ZINC000390503254 357098630 /nfs/dbraw/zinc/09/86/30/357098630.db2.gz VUUKUWJQOQPSEV-UHFFFAOYSA-N 1 2 218.260 1.424 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000639883069 357146606 /nfs/dbraw/zinc/14/66/06/357146606.db2.gz BMKDIJTUVUUPBD-NXEZZACHSA-N 1 2 221.291 1.982 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000639883069 357146612 /nfs/dbraw/zinc/14/66/12/357146612.db2.gz BMKDIJTUVUUPBD-NXEZZACHSA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)CCc1noc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000304007135 357156072 /nfs/dbraw/zinc/15/60/72/357156072.db2.gz CLUBUEYRULVRNC-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)CCc1noc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000304007135 357156077 /nfs/dbraw/zinc/15/60/77/357156077.db2.gz CLUBUEYRULVRNC-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)COC(F)F ZINC000425595744 357223309 /nfs/dbraw/zinc/22/33/09/357223309.db2.gz JHNORGIIAVRKBK-UHFFFAOYSA-N 1 2 230.214 1.876 20 0 BDADLO Cc1nc(N2CCC[C@H](C(C)(C)C)C2)nc(N)[nH+]1 ZINC000631259505 357235556 /nfs/dbraw/zinc/23/55/56/357235556.db2.gz UUURDSSGCZCGFY-JTQLQIEISA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](C(C)(C)C)C2)[nH+]1 ZINC000631259505 357235559 /nfs/dbraw/zinc/23/55/59/357235559.db2.gz UUURDSSGCZCGFY-JTQLQIEISA-N 1 2 249.362 1.855 20 0 BDADLO Cc1c[nH]c(CN2Cc3ccc(O)cc3C2)[nH+]1 ZINC000628418870 357238672 /nfs/dbraw/zinc/23/86/72/357238672.db2.gz BNRDFMXCPPWRIO-UHFFFAOYSA-N 1 2 229.283 1.940 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)C(F)F)c(C)c[nH+]1 ZINC000639901280 357289549 /nfs/dbraw/zinc/28/95/49/357289549.db2.gz HIRVHEIYZDXPCQ-QMMMGPOBSA-N 1 2 243.257 1.895 20 0 BDADLO COCCn1cc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000583698818 357272853 /nfs/dbraw/zinc/27/28/53/357272853.db2.gz QACIIABVGZDCDY-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO COCCn1cc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000583698818 357272855 /nfs/dbraw/zinc/27/28/55/357272855.db2.gz QACIIABVGZDCDY-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000582488690 357319456 /nfs/dbraw/zinc/31/94/56/357319456.db2.gz NTDJQLHSKZRIQJ-HAQNSBGRSA-N 1 2 249.358 1.905 20 0 BDADLO COc1ccc[nH+]c1NCc1c(C)cnn1C ZINC000394074045 357323064 /nfs/dbraw/zinc/32/30/64/357323064.db2.gz XBDAWUNQPHDGLL-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO CCc1cnn(Cc2c[nH+]ccc2OC)c1 ZINC000584361087 357327467 /nfs/dbraw/zinc/32/74/67/357327467.db2.gz BTNNVRVWOPVMMZ-UHFFFAOYSA-N 1 2 217.272 1.897 20 0 BDADLO Cn1c[nH+]cc1CN=c1[nH]c2c(cccc2F)o1 ZINC000357607801 538831241 /nfs/dbraw/zinc/83/12/41/538831241.db2.gz QKPDFUKAHKCAHN-UHFFFAOYSA-N 1 2 246.245 1.734 20 0 BDADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000158080262 538850295 /nfs/dbraw/zinc/85/02/95/538850295.db2.gz GMLGRGWLTTVKGY-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO CC(C)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583099831 357480345 /nfs/dbraw/zinc/48/03/45/357480345.db2.gz AJWBVZHTYZLHLG-LBPRGKRZSA-N 1 2 249.358 1.998 20 0 BDADLO CCC[C@H]1C[N@H+]([C@@H](CC)C(=O)OCC)CCO1 ZINC000131939813 325192196 /nfs/dbraw/zinc/19/21/96/325192196.db2.gz AEGDPDMCRYRDRS-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cc1ccco1 ZINC000360982543 538867319 /nfs/dbraw/zinc/86/73/19/538867319.db2.gz SVKFBUIKDZTWGZ-UHFFFAOYSA-N 1 2 230.267 1.840 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1cncnc1 ZINC000162132574 538874877 /nfs/dbraw/zinc/87/48/77/538874877.db2.gz KGQTWGZAPUTSLS-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1cncnc1 ZINC000162132574 538874879 /nfs/dbraw/zinc/87/48/79/538874879.db2.gz KGQTWGZAPUTSLS-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO CCc1nc(C[N@H+](CC(C)(C)O)C2CC2)no1 ZINC000189918042 357676495 /nfs/dbraw/zinc/67/64/95/357676495.db2.gz FVIWJPKHDPTTNK-UHFFFAOYSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@@H+](CC(C)(C)O)C2CC2)no1 ZINC000189918042 357676497 /nfs/dbraw/zinc/67/64/97/357676497.db2.gz FVIWJPKHDPTTNK-UHFFFAOYSA-N 1 2 239.319 1.367 20 0 BDADLO CCS(=O)(=O)CCCCCn1cc[nH+]c1 ZINC000191211073 357758205 /nfs/dbraw/zinc/75/82/05/357758205.db2.gz DDPQQQCUDRFSTN-UHFFFAOYSA-N 1 2 230.333 1.488 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1C[C@H](C)C[C@H](C)C1)[C@@H](C)O ZINC000191959422 357806350 /nfs/dbraw/zinc/80/63/50/357806350.db2.gz CEMUXZIKWMVUFE-NVFWCSOASA-N 1 2 243.347 1.323 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@@H+]1CC1CCCC1 ZINC000192059916 357816072 /nfs/dbraw/zinc/81/60/72/357816072.db2.gz DEUBKHNEVKULMV-NSHDSACASA-N 1 2 245.388 1.686 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@H+]1CC1CCCC1 ZINC000192059916 357816075 /nfs/dbraw/zinc/81/60/75/357816075.db2.gz DEUBKHNEVKULMV-NSHDSACASA-N 1 2 245.388 1.686 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926517 357851452 /nfs/dbraw/zinc/85/14/52/357851452.db2.gz YKDHNBOYVGULBY-WPRPVWTQSA-N 1 2 222.288 1.536 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926517 357851457 /nfs/dbraw/zinc/85/14/57/357851457.db2.gz YKDHNBOYVGULBY-WPRPVWTQSA-N 1 2 222.288 1.536 20 0 BDADLO C[C@H]1CCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000583281780 357829640 /nfs/dbraw/zinc/82/96/40/357829640.db2.gz NHIXWYSSUFKBIF-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO Cn1nnc(C[NH2+][C@@H]2CCc3cc(F)ccc32)n1 ZINC000398091702 357835845 /nfs/dbraw/zinc/83/58/45/357835845.db2.gz SHADNFZVKXASIS-LLVKDONJSA-N 1 2 247.277 1.126 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H]3CCCCN3C2=O)nc[nH+]1 ZINC000583309251 357890941 /nfs/dbraw/zinc/89/09/41/357890941.db2.gz VUCPWOOISFYVCX-QWRGUYRKSA-N 1 2 246.314 1.350 20 0 BDADLO CO[C@H](CNc1nc(C)[nH+]cc1C)C(C)C ZINC000584421269 357918406 /nfs/dbraw/zinc/91/84/06/357918406.db2.gz JZFDPCNDDKAMPF-LLVKDONJSA-N 1 2 223.320 1.598 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](O)C[C@H]2C)nc1 ZINC000639939816 357949586 /nfs/dbraw/zinc/94/95/86/357949586.db2.gz LSZBEJBGMBUFSO-GHMZBOCLSA-N 1 2 221.304 1.130 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)nc1 ZINC000639939816 357949589 /nfs/dbraw/zinc/94/95/89/357949589.db2.gz LSZBEJBGMBUFSO-GHMZBOCLSA-N 1 2 221.304 1.130 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC[C@@H]1CCOC1 ZINC000639971007 358017660 /nfs/dbraw/zinc/01/76/60/358017660.db2.gz AUVGYLIRNQRKDU-GFCCVEGCSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC[C@@H]1CCOC1 ZINC000639971007 358017662 /nfs/dbraw/zinc/01/76/62/358017662.db2.gz AUVGYLIRNQRKDU-GFCCVEGCSA-N 1 2 237.347 1.967 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000628457514 358016528 /nfs/dbraw/zinc/01/65/28/358016528.db2.gz AIJOHLPNSXPJKW-NSHDSACASA-N 1 2 213.252 1.840 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000628457514 358016530 /nfs/dbraw/zinc/01/65/30/358016530.db2.gz AIJOHLPNSXPJKW-NSHDSACASA-N 1 2 213.252 1.840 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1cn[nH]c1C)C1CCC1 ZINC000639971246 358021968 /nfs/dbraw/zinc/02/19/68/358021968.db2.gz CZIBUWMJYKONLC-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1cn[nH]c1C)C1CCC1 ZINC000639971246 358021969 /nfs/dbraw/zinc/02/19/69/358021969.db2.gz CZIBUWMJYKONLC-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1nnccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639969587 358022035 /nfs/dbraw/zinc/02/20/35/358022035.db2.gz ALMCNMRLRWZFLO-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1nccnc1C ZINC000639971497 358029522 /nfs/dbraw/zinc/02/95/22/358029522.db2.gz DUYBSUOLSLTBPN-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1nccnc1C ZINC000639971497 358029526 /nfs/dbraw/zinc/02/95/26/358029526.db2.gz DUYBSUOLSLTBPN-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639972633 358030786 /nfs/dbraw/zinc/03/07/86/358030786.db2.gz XOEONJRIYHZAOI-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639972633 358030792 /nfs/dbraw/zinc/03/07/92/358030792.db2.gz XOEONJRIYHZAOI-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](O)CCC(C)C ZINC000639971838 358031603 /nfs/dbraw/zinc/03/16/03/358031603.db2.gz XSPAUOKALVGGCF-ZDUSSCGKSA-N 1 2 239.363 1.947 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](O)CCC(C)C ZINC000639971838 358031604 /nfs/dbraw/zinc/03/16/04/358031604.db2.gz XSPAUOKALVGGCF-ZDUSSCGKSA-N 1 2 239.363 1.947 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000584532620 358042400 /nfs/dbraw/zinc/04/24/00/358042400.db2.gz ZHZPIKGQHIGSSE-UTUOFQBUSA-N 1 2 247.342 1.845 20 0 BDADLO COc1ccc[nH+]c1NC1CC(OC)C1 ZINC000221250199 358069908 /nfs/dbraw/zinc/06/99/08/358069908.db2.gz AJMDIZFZRQLGCD-UHFFFAOYSA-N 1 2 208.261 1.680 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)C)n1)C[C@H](C)O ZINC000352228931 535397210 /nfs/dbraw/zinc/39/72/10/535397210.db2.gz BLFUODWWWKYALH-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@H+](Cc1noc(C(C)C)n1)C[C@H](C)O ZINC000352228931 535397215 /nfs/dbraw/zinc/39/72/15/535397215.db2.gz BLFUODWWWKYALH-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC000640035633 358134629 /nfs/dbraw/zinc/13/46/29/358134629.db2.gz LZSICFVZPYLYDY-GXSJLCMTSA-N 1 2 241.360 1.836 20 0 BDADLO CC[C@@]1(O)CCC[N@H+]([C@@H](C)c2csnn2)C1 ZINC000640035633 358134630 /nfs/dbraw/zinc/13/46/30/358134630.db2.gz LZSICFVZPYLYDY-GXSJLCMTSA-N 1 2 241.360 1.836 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@](O)(CC)C2)no1 ZINC000640033590 358125651 /nfs/dbraw/zinc/12/56/51/358125651.db2.gz SUHWPKDLHHVFAS-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@](O)(CC)C2)no1 ZINC000640033590 358125654 /nfs/dbraw/zinc/12/56/54/358125654.db2.gz SUHWPKDLHHVFAS-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO Cc1cc(N(C)CC(C)(C)CO)nc[nH+]1 ZINC000450664217 202230064 /nfs/dbraw/zinc/23/00/64/202230064.db2.gz ZCYXUYPJKIMDDN-UHFFFAOYSA-N 1 2 209.293 1.240 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CCCCO)[nH+]1 ZINC000450645252 202222330 /nfs/dbraw/zinc/22/23/30/202222330.db2.gz FKWYGDLOHAPVSG-VIFPVBQESA-N 1 2 248.330 1.651 20 0 BDADLO COCCn1c(Br)c[nH+]c1C ZINC000223659882 358229690 /nfs/dbraw/zinc/22/96/90/358229690.db2.gz LBOQBJFCRBKHNE-UHFFFAOYSA-N 1 2 219.082 1.600 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]nn1)[C@H]1COc2ccccc21 ZINC000450734677 202248768 /nfs/dbraw/zinc/24/87/68/202248768.db2.gz CZRLTKQEBIULIN-JOYOIKCWSA-N 1 2 244.298 1.459 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]n1)[C@H]1COc2ccccc21 ZINC000450734677 202248771 /nfs/dbraw/zinc/24/87/71/202248771.db2.gz CZRLTKQEBIULIN-JOYOIKCWSA-N 1 2 244.298 1.459 20 0 BDADLO CC[C@H]([NH2+][C@H](C)[C@@H](C)CO)C(=O)OC(C)(C)C ZINC000450735481 202249658 /nfs/dbraw/zinc/24/96/58/202249658.db2.gz AWJPAZDZVSYJOQ-AXFHLTTASA-N 1 2 245.363 1.713 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2ncn(C)n2)s1 ZINC000218954348 134268819 /nfs/dbraw/zinc/26/88/19/134268819.db2.gz YIOPZFLCAAUHNS-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)C ZINC000227770567 358363116 /nfs/dbraw/zinc/36/31/16/358363116.db2.gz CLRSUIWXNNILRZ-GHMZBOCLSA-N 1 2 229.320 1.199 20 0 BDADLO CCc1cnc(C[NH2+][C@@H](C)c2cnn(C)c2)o1 ZINC000230640304 358408598 /nfs/dbraw/zinc/40/85/98/358408598.db2.gz UGTCFOLYAJVREP-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)OC(C)(C)C ZINC000228861651 358387451 /nfs/dbraw/zinc/38/74/51/358387451.db2.gz VGTOTHSDPUTCTJ-LPEHRKFASA-N 1 2 243.347 1.466 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)[C@H](C)O1 ZINC000633133505 358411942 /nfs/dbraw/zinc/41/19/42/358411942.db2.gz XEGCXMBVRJQFLZ-UTLUCORTSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)[C@H](C)O1 ZINC000633133505 358411947 /nfs/dbraw/zinc/41/19/47/358411947.db2.gz XEGCXMBVRJQFLZ-UTLUCORTSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C(=O)[O-])C1 ZINC000229308864 358400943 /nfs/dbraw/zinc/40/09/43/358400943.db2.gz ZRUMYYUVBPKVTJ-GHMZBOCLSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C(=O)[O-])C1 ZINC000229308864 358400947 /nfs/dbraw/zinc/40/09/47/358400947.db2.gz ZRUMYYUVBPKVTJ-GHMZBOCLSA-N 1 2 237.303 1.068 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccno2)c(OC)c1 ZINC000230973127 358413543 /nfs/dbraw/zinc/41/35/43/358413543.db2.gz YZDFQYQSSXOHGK-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008892 358430582 /nfs/dbraw/zinc/43/05/82/358430582.db2.gz NBBHQXQPLPJDTQ-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000611008892 358430586 /nfs/dbraw/zinc/43/05/86/358430586.db2.gz NBBHQXQPLPJDTQ-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008892 358430588 /nfs/dbraw/zinc/43/05/88/358430588.db2.gz NBBHQXQPLPJDTQ-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000611008892 358430592 /nfs/dbraw/zinc/43/05/92/358430592.db2.gz NBBHQXQPLPJDTQ-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO C[C@H](c1ccccc1)[N@H+](C)Cc1nnc[nH]1 ZINC000174821390 134282577 /nfs/dbraw/zinc/28/25/77/134282577.db2.gz UJEAPHGJTYBYAY-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1nnc[nH]1 ZINC000174821390 134282578 /nfs/dbraw/zinc/28/25/78/134282578.db2.gz UJEAPHGJTYBYAY-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(O)c1 ZINC000049237701 358677937 /nfs/dbraw/zinc/67/79/37/358677937.db2.gz WEHXIAKCIJVUOD-JTQLQIEISA-N 1 2 245.282 1.407 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(F)cn1 ZINC000131537748 358680682 /nfs/dbraw/zinc/68/06/82/358680682.db2.gz PYMLESSYAMPRGA-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCF ZINC000131951296 358701717 /nfs/dbraw/zinc/70/17/17/358701717.db2.gz WVHQXKJYXKJHDC-GFCCVEGCSA-N 1 2 226.295 1.758 20 0 BDADLO Cn1cccc1[C@H]1COCC[N@H+]1CCCF ZINC000131951296 358701720 /nfs/dbraw/zinc/70/17/20/358701720.db2.gz WVHQXKJYXKJHDC-GFCCVEGCSA-N 1 2 226.295 1.758 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000133156163 358747397 /nfs/dbraw/zinc/74/73/97/358747397.db2.gz MUWKDPOHKWXXJL-ZJUUUORDSA-N 1 2 249.314 1.511 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000176454418 134291572 /nfs/dbraw/zinc/29/15/72/134291572.db2.gz AUBLQMRUWHMYAA-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@H](C)C1 ZINC000176454418 134291573 /nfs/dbraw/zinc/29/15/73/134291573.db2.gz AUBLQMRUWHMYAA-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO CCCc1noc(C[N@H+](CCO)C(C)C)n1 ZINC000050103777 358715624 /nfs/dbraw/zinc/71/56/24/358715624.db2.gz RPGCEUASGAUQRN-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000050103777 358715625 /nfs/dbraw/zinc/71/56/25/358715625.db2.gz RPGCEUASGAUQRN-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCOC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000132530176 358727651 /nfs/dbraw/zinc/72/76/51/358727651.db2.gz WSXXLWNGWZYLRV-TUAOUCFPSA-N 1 2 243.347 1.683 20 0 BDADLO CCOC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000132530176 358727655 /nfs/dbraw/zinc/72/76/55/358727655.db2.gz WSXXLWNGWZYLRV-TUAOUCFPSA-N 1 2 243.347 1.683 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCc1cscn1 ZINC000050932880 358739244 /nfs/dbraw/zinc/73/92/44/358739244.db2.gz KHHZHKYLYSZHBQ-UHFFFAOYSA-N 1 2 246.299 1.432 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613670873 363618196 /nfs/dbraw/zinc/61/81/96/363618196.db2.gz UNJBPNLKPGNSJH-QCNOEVLYSA-N 1 2 245.326 1.360 20 0 BDADLO C[N@H+](Cc1nccs1)[C@H]1CCCCNC1=O ZINC000135041593 358817598 /nfs/dbraw/zinc/81/75/98/358817598.db2.gz YQXMPONPKLNWPC-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO C[N@@H+](Cc1nccs1)[C@H]1CCCCNC1=O ZINC000135041593 358817603 /nfs/dbraw/zinc/81/76/03/358817603.db2.gz YQXMPONPKLNWPC-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO O=C(CCc1ccccn1)NCCc1[nH]cc[nH+]1 ZINC000135074068 358819055 /nfs/dbraw/zinc/81/90/55/358819055.db2.gz KWXVWGVEGQXJJG-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000135091788 358820361 /nfs/dbraw/zinc/82/03/61/358820361.db2.gz MPOSEYNBERCPKL-QMMMGPOBSA-N 1 2 240.278 1.231 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000052395948 358780552 /nfs/dbraw/zinc/78/05/52/358780552.db2.gz JVNLAVUGHAJNEE-QMMMGPOBSA-N 1 2 231.246 1.235 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000052395948 358780554 /nfs/dbraw/zinc/78/05/54/358780554.db2.gz JVNLAVUGHAJNEE-QMMMGPOBSA-N 1 2 231.246 1.235 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134145380 358781837 /nfs/dbraw/zinc/78/18/37/358781837.db2.gz MJXARGISGJLRPN-MFKMUULPSA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134145380 358781840 /nfs/dbraw/zinc/78/18/40/358781840.db2.gz MJXARGISGJLRPN-MFKMUULPSA-N 1 2 249.310 1.483 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccc(O)cc1 ZINC000134239570 358783635 /nfs/dbraw/zinc/78/36/35/358783635.db2.gz OGVMQMNDMFXANY-UHFFFAOYSA-N 1 2 245.282 1.295 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CC2(CC2)C1 ZINC000613668797 363617546 /nfs/dbraw/zinc/61/75/46/363617546.db2.gz BMBPMSUJENACPU-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO O=C(CCc1ccncc1)NCCc1[nH]cc[nH+]1 ZINC000135483983 358841334 /nfs/dbraw/zinc/84/13/34/358841334.db2.gz BVLKOBHGMFXYKG-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CCn1cc[nH+]c1CN1CCOCC12CCC2 ZINC000135532309 358842993 /nfs/dbraw/zinc/84/29/93/358842993.db2.gz KCEGPZIBUJJPEL-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO COc1ccc[nH+]c1NCc1nccnc1OC ZINC000578308996 366480513 /nfs/dbraw/zinc/48/05/13/366480513.db2.gz WCJGXZSKTMTQAI-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO COCCN(Cc1ccco1)Cc1c[nH+]cn1C ZINC000177251915 134296798 /nfs/dbraw/zinc/29/67/98/134296798.db2.gz SSTFXVIPKXEIIN-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO CC[C@H](Nc1nccn2cnnc12)c1[nH]cc[nH+]1 ZINC000139800173 358913571 /nfs/dbraw/zinc/91/35/71/358913571.db2.gz PAHAIMBKANQONK-QMMMGPOBSA-N 1 2 243.274 1.411 20 0 BDADLO CC[C@@H](NC(=O)c1cncc(O)c1)c1[nH]cc[nH+]1 ZINC000139750672 358913604 /nfs/dbraw/zinc/91/36/04/358913604.db2.gz KBBFIZKXQUAUPV-SNVBAGLBSA-N 1 2 246.270 1.391 20 0 BDADLO c1cn(-c2cccc(NCc3[nH]cc[nH+]3)c2)nn1 ZINC000136823119 358888148 /nfs/dbraw/zinc/88/81/48/358888148.db2.gz MELJVEBZMHRGKF-UHFFFAOYSA-N 1 2 240.270 1.603 20 0 BDADLO C[N@H+](CCC(F)(F)F)CC(=O)NC(C)(C)C ZINC000057600737 358906376 /nfs/dbraw/zinc/90/63/76/358906376.db2.gz ZALNDEVFYILCBS-UHFFFAOYSA-N 1 2 240.269 1.785 20 0 BDADLO C[N@@H+](CCC(F)(F)F)CC(=O)NC(C)(C)C ZINC000057600737 358906379 /nfs/dbraw/zinc/90/63/79/358906379.db2.gz ZALNDEVFYILCBS-UHFFFAOYSA-N 1 2 240.269 1.785 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000220099346 134299155 /nfs/dbraw/zinc/29/91/55/134299155.db2.gz BBHISSWWCVAIAH-ZJUUUORDSA-N 1 2 207.277 1.764 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000140173362 358918915 /nfs/dbraw/zinc/91/89/15/358918915.db2.gz SBUZJFPKOFUSQU-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000140173362 358918917 /nfs/dbraw/zinc/91/89/17/358918917.db2.gz SBUZJFPKOFUSQU-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H](NC(=O)C[C@H](C)COC)c1[nH]cc[nH+]1 ZINC000140522518 358922350 /nfs/dbraw/zinc/92/23/50/358922350.db2.gz FSMFEDMCOXKEEO-UWVGGRQHSA-N 1 2 239.319 1.650 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000140464934 358922622 /nfs/dbraw/zinc/92/26/22/358922622.db2.gz CJBWQDXTBQWHFM-VHSXEESVSA-N 1 2 237.303 1.404 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)n1cccn1)c1[nH]cc[nH+]1 ZINC000140635613 358923539 /nfs/dbraw/zinc/92/35/39/358923539.db2.gz HWOGXMUUSOKOEE-ZJUUUORDSA-N 1 2 247.302 1.435 20 0 BDADLO C[C@H](Cc1nc(-c2cocn2)no1)n1cc[nH+]c1 ZINC000351515149 366531007 /nfs/dbraw/zinc/53/10/07/366531007.db2.gz QGTPCDRPGGALSJ-MRVPVSSYSA-N 1 2 245.242 1.725 20 0 BDADLO CC(C)=CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626635889 358997803 /nfs/dbraw/zinc/99/78/03/358997803.db2.gz UXBCSQRFNJHRDE-LBPRGKRZSA-N 1 2 247.342 1.836 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626635888 358997894 /nfs/dbraw/zinc/99/78/94/358997894.db2.gz UXBCSQRFNJHRDE-GFCCVEGCSA-N 1 2 247.342 1.836 20 0 BDADLO CCOCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000070262121 359047993 /nfs/dbraw/zinc/04/79/93/359047993.db2.gz GPSICIISLFLHLD-UHFFFAOYSA-N 1 2 245.282 1.847 20 0 BDADLO COCc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070990029 359068917 /nfs/dbraw/zinc/06/89/17/359068917.db2.gz DMPYESMVTIGLKF-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO COCc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070990150 359069017 /nfs/dbraw/zinc/06/90/17/359069017.db2.gz HQKRGERZTNXXLH-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO COc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070990330 359069964 /nfs/dbraw/zinc/06/99/64/359069964.db2.gz YBTSANPOJIMFDD-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO O=C(CSc1ccncc1)NCc1[nH]cc[nH+]1 ZINC000070991614 359070080 /nfs/dbraw/zinc/07/00/80/359070080.db2.gz POWZXYPILIUOCB-UHFFFAOYSA-N 1 2 248.311 1.213 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCCSC ZINC000611209002 359113952 /nfs/dbraw/zinc/11/39/52/359113952.db2.gz YLCAJJDWJVVEGT-SNVBAGLBSA-N 1 2 249.376 1.249 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCCSC ZINC000611209002 359113956 /nfs/dbraw/zinc/11/39/56/359113956.db2.gz YLCAJJDWJVVEGT-SNVBAGLBSA-N 1 2 249.376 1.249 20 0 BDADLO Cc1ncsc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650718 359060856 /nfs/dbraw/zinc/06/08/56/359060856.db2.gz ZDHIGPBVYWZGFU-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247020562 359184461 /nfs/dbraw/zinc/18/44/61/359184461.db2.gz SNDUTXLSCSIHMX-CMPLNLGQSA-N 1 2 225.288 1.688 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247020562 359184470 /nfs/dbraw/zinc/18/44/70/359184470.db2.gz SNDUTXLSCSIHMX-CMPLNLGQSA-N 1 2 225.288 1.688 20 0 BDADLO Fc1c[nH+]ccc1NCCn1cccn1 ZINC000308867544 491139222 /nfs/dbraw/zinc/13/92/22/491139222.db2.gz GPXATLATBDUOLZ-UHFFFAOYSA-N 1 2 206.224 1.529 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000247499272 359227177 /nfs/dbraw/zinc/22/71/77/359227177.db2.gz HYRXTJSNPLGHFZ-MNOVXSKESA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H](C)O1 ZINC000247499272 359227180 /nfs/dbraw/zinc/22/71/80/359227180.db2.gz HYRXTJSNPLGHFZ-MNOVXSKESA-N 1 2 228.336 1.010 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000248137692 359255611 /nfs/dbraw/zinc/25/56/11/359255611.db2.gz AQWUNKGXARAPBR-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000248137692 359255617 /nfs/dbraw/zinc/25/56/17/359255617.db2.gz AQWUNKGXARAPBR-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nc(NC[C@H](C)c2ccccc2)nc(N)[nH+]1 ZINC000380653948 359207558 /nfs/dbraw/zinc/20/75/58/359207558.db2.gz DXBBSKYBCXCKGS-VIFPVBQESA-N 1 2 243.314 1.230 20 0 BDADLO Cc1nc(N)nc(NC[C@H](C)c2ccccc2)[nH+]1 ZINC000380653948 359207562 /nfs/dbraw/zinc/20/75/62/359207562.db2.gz DXBBSKYBCXCKGS-VIFPVBQESA-N 1 2 243.314 1.230 20 0 BDADLO CCCc1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000075779272 359210244 /nfs/dbraw/zinc/21/02/44/359210244.db2.gz UQGLFXLNAQLFAT-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075779272 359210246 /nfs/dbraw/zinc/21/02/46/359210246.db2.gz UQGLFXLNAQLFAT-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247340855 359213813 /nfs/dbraw/zinc/21/38/13/359213813.db2.gz GRLBWWKJDQUKCG-RNJOBUHISA-N 1 2 247.342 1.949 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832725 359225091 /nfs/dbraw/zinc/22/50/91/359225091.db2.gz QYMGOSLADWQSBY-LLVKDONJSA-N 1 2 239.315 1.337 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832725 359225093 /nfs/dbraw/zinc/22/50/93/359225093.db2.gz QYMGOSLADWQSBY-LLVKDONJSA-N 1 2 239.315 1.337 20 0 BDADLO CCC(O)(CC)C[N@H+](C)Cc1cn[nH]c1C ZINC000628479578 359314945 /nfs/dbraw/zinc/31/49/45/359314945.db2.gz SILBXTKHHWFSMC-UHFFFAOYSA-N 1 2 225.336 1.701 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)Cc1cn[nH]c1C ZINC000628479578 359314947 /nfs/dbraw/zinc/31/49/47/359314947.db2.gz SILBXTKHHWFSMC-UHFFFAOYSA-N 1 2 225.336 1.701 20 0 BDADLO C[C@@H](Cc1cccs1)[NH2+]CC(F)(F)CO ZINC000308926834 491140393 /nfs/dbraw/zinc/14/03/93/491140393.db2.gz DLEURGWSLCPZGS-QMMMGPOBSA-N 1 2 235.299 1.896 20 0 BDADLO CCC(=O)CCC[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000450778191 202263901 /nfs/dbraw/zinc/26/39/01/202263901.db2.gz LFSMCARTGJKYGZ-NSHDSACASA-N 1 2 240.347 1.298 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000450778191 202263905 /nfs/dbraw/zinc/26/39/05/202263905.db2.gz LFSMCARTGJKYGZ-NSHDSACASA-N 1 2 240.347 1.298 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000611795945 359452462 /nfs/dbraw/zinc/45/24/62/359452462.db2.gz WCNDRXQGWVIOHY-HBNTYKKESA-N 1 2 233.315 1.771 20 0 BDADLO CC1CC(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611842344 359463369 /nfs/dbraw/zinc/46/33/69/359463369.db2.gz VDXYDMIIMOKYNG-HWOCKDDLSA-N 1 2 233.315 1.429 20 0 BDADLO CC1CC(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611842344 359463373 /nfs/dbraw/zinc/46/33/73/359463373.db2.gz VDXYDMIIMOKYNG-HWOCKDDLSA-N 1 2 233.315 1.429 20 0 BDADLO Cc1cccc2[nH+]c(CSCCC(N)=O)cn21 ZINC000611921345 359483737 /nfs/dbraw/zinc/48/37/37/359483737.db2.gz SPLRJGXIWHVGHB-UHFFFAOYSA-N 1 2 249.339 1.751 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ocnc1C1CC1 ZINC000580483574 359645954 /nfs/dbraw/zinc/64/59/54/359645954.db2.gz LLFJWWHJQMSOPU-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO c1cc(N[C@@H]2CC23CCOCC3)nc(C2CC2)[nH+]1 ZINC000450794881 202267260 /nfs/dbraw/zinc/26/72/60/202267260.db2.gz NXFXSUSJXKJTMB-LLVKDONJSA-N 1 2 245.326 1.757 20 0 BDADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)[C@@H](C)O ZINC000450797459 202267614 /nfs/dbraw/zinc/26/76/14/202267614.db2.gz NIYHFAKPDGEVDR-GMSGAONNSA-N 1 2 234.303 1.838 20 0 BDADLO COCC(COC)Nc1cc[nH+]c(C(C)C)n1 ZINC000450791971 202267860 /nfs/dbraw/zinc/26/78/60/202267860.db2.gz MVXIVLDNZOFTMM-UHFFFAOYSA-N 1 2 239.319 1.095 20 0 BDADLO CC(C)[C@H]1CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000450808513 202273203 /nfs/dbraw/zinc/27/32/03/202273203.db2.gz IFDZYLBNQQVPFI-CYBMUJFWSA-N 1 2 246.358 1.699 20 0 BDADLO CC(C)[C@H]1CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000450808513 202273206 /nfs/dbraw/zinc/27/32/06/202273206.db2.gz IFDZYLBNQQVPFI-CYBMUJFWSA-N 1 2 246.358 1.699 20 0 BDADLO OCC1(CCNc2cc[nH+]c3ccncc23)CC1 ZINC000450820972 202274543 /nfs/dbraw/zinc/27/45/43/202274543.db2.gz LGXQMRPLRNAFGV-UHFFFAOYSA-N 1 2 243.310 1.626 20 0 BDADLO CC1(C)COC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000450855810 202290339 /nfs/dbraw/zinc/29/03/39/202290339.db2.gz NQEKOUDGZSZSQW-SNVBAGLBSA-N 1 2 233.315 1.613 20 0 BDADLO Cc1cc(NC[C@@H]2CCC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000450917469 202308125 /nfs/dbraw/zinc/30/81/25/202308125.db2.gz ZSXVJOZIEGWWCL-NWDGAFQWSA-N 1 2 247.342 1.657 20 0 BDADLO O[C@@H]1CCC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000450915033 202309109 /nfs/dbraw/zinc/30/91/09/202309109.db2.gz OSZMFWHGBQCBOP-IINYFYTJSA-N 1 2 243.310 1.625 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000450923021 202310732 /nfs/dbraw/zinc/31/07/32/202310732.db2.gz BTPJZAQRFWJOTP-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCCC[C@H]1C(F)F ZINC000450923021 202310736 /nfs/dbraw/zinc/31/07/36/202310736.db2.gz BTPJZAQRFWJOTP-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCc1cc(N)nc(SCC[C@@H](C)O)[nH+]1 ZINC000450928748 202313232 /nfs/dbraw/zinc/31/32/32/202313232.db2.gz GGLHPEPSUKOEGC-SSDOTTSWSA-N 1 2 227.333 1.315 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450993454 202328714 /nfs/dbraw/zinc/32/87/14/202328714.db2.gz QBNRLZGVVQFSRE-DTWKUNHWSA-N 1 2 242.298 1.785 20 0 BDADLO C[C@H](F)CC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450993454 202328716 /nfs/dbraw/zinc/32/87/16/202328716.db2.gz QBNRLZGVVQFSRE-DTWKUNHWSA-N 1 2 242.298 1.785 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451110075 202354340 /nfs/dbraw/zinc/35/43/40/202354340.db2.gz BXGNQBAGMBLXBN-CMPLNLGQSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451110075 202354343 /nfs/dbraw/zinc/35/43/43/202354343.db2.gz BXGNQBAGMBLXBN-CMPLNLGQSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451110078 202353203 /nfs/dbraw/zinc/35/32/03/202353203.db2.gz BXGNQBAGMBLXBN-ZYHUDNBSSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451110078 202353205 /nfs/dbraw/zinc/35/32/05/202353205.db2.gz BXGNQBAGMBLXBN-ZYHUDNBSSA-N 1 2 229.295 1.762 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000451109171 202353224 /nfs/dbraw/zinc/35/32/24/202353224.db2.gz AKUBMCTVYURCAN-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000451109171 202353226 /nfs/dbraw/zinc/35/32/26/202353226.db2.gz AKUBMCTVYURCAN-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](F)C1 ZINC000451180065 202370439 /nfs/dbraw/zinc/37/04/39/202370439.db2.gz BXJZRFPCGZRTDG-BDAKNGLRSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](F)C1 ZINC000451180065 202370441 /nfs/dbraw/zinc/37/04/41/202370441.db2.gz BXJZRFPCGZRTDG-BDAKNGLRSA-N 1 2 203.257 1.372 20 0 BDADLO COc1ncc(C[N@H+](C2CC2)C2COC2)c(C)n1 ZINC000451126508 202359593 /nfs/dbraw/zinc/35/95/93/202359593.db2.gz RJOAWORNBRAWJS-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO COc1ncc(C[N@@H+](C2CC2)C2COC2)c(C)n1 ZINC000451126508 202359595 /nfs/dbraw/zinc/35/95/95/202359595.db2.gz RJOAWORNBRAWJS-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCCOC1 ZINC000578725108 366632771 /nfs/dbraw/zinc/63/27/71/366632771.db2.gz NOMHBWQEZUVXCD-JTQLQIEISA-N 1 2 249.314 1.585 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(F)cc1 ZINC000088588685 359968277 /nfs/dbraw/zinc/96/82/77/359968277.db2.gz WJUMPUBGCVZWCF-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1Cc2ccccc2O1 ZINC000088759270 359976825 /nfs/dbraw/zinc/97/68/25/359976825.db2.gz CZVJEQBOISCOOL-GFCCVEGCSA-N 1 2 243.266 1.030 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1Cc2ccccc2O1 ZINC000088759270 359976830 /nfs/dbraw/zinc/97/68/30/359976830.db2.gz CZVJEQBOISCOOL-GFCCVEGCSA-N 1 2 243.266 1.030 20 0 BDADLO O=C(COc1cccc(F)c1)NCc1c[nH+]c[nH]1 ZINC000088759447 359977273 /nfs/dbraw/zinc/97/72/73/359977273.db2.gz MOQBYDNIGDIQJS-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO O=C(COc1cccc(F)c1)NCc1c[nH]c[nH+]1 ZINC000088759447 359977280 /nfs/dbraw/zinc/97/72/80/359977280.db2.gz MOQBYDNIGDIQJS-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cccnc1 ZINC000088795695 359979386 /nfs/dbraw/zinc/97/93/86/359979386.db2.gz GFBXABQWWYPJNS-GFCCVEGCSA-N 1 2 234.299 1.465 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cccnc1 ZINC000088795695 359979390 /nfs/dbraw/zinc/97/93/90/359979390.db2.gz GFBXABQWWYPJNS-GFCCVEGCSA-N 1 2 234.299 1.465 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@H](C(=O)OC)C1CC1 ZINC000088796002 359979671 /nfs/dbraw/zinc/97/96/71/359979671.db2.gz HJFWKPIOMMDBPZ-ZDUSSCGKSA-N 1 2 248.326 1.855 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@H](C(=O)OC)C1CC1 ZINC000088796002 359979672 /nfs/dbraw/zinc/97/96/72/359979672.db2.gz HJFWKPIOMMDBPZ-ZDUSSCGKSA-N 1 2 248.326 1.855 20 0 BDADLO C[C@H](CC(=O)N1C[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC000628520645 360009669 /nfs/dbraw/zinc/00/96/69/360009669.db2.gz UBCABWADUVKXER-MXWKQRLJSA-N 1 2 219.288 1.313 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626840706 360025258 /nfs/dbraw/zinc/02/52/58/360025258.db2.gz FZQWBOIPJNNCDZ-GRYCIOLGSA-N 1 2 247.342 1.669 20 0 BDADLO CCC1(O)CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000089652587 360032428 /nfs/dbraw/zinc/03/24/28/360032428.db2.gz OHHGXUZAAXJPAT-UHFFFAOYSA-N 1 2 235.331 1.870 20 0 BDADLO OC1(C2CC2)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000089667241 360033616 /nfs/dbraw/zinc/03/36/16/360033616.db2.gz KFEWHPOWSJUCOE-UHFFFAOYSA-N 1 2 229.283 1.524 20 0 BDADLO CNC(=O)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000090153508 360059263 /nfs/dbraw/zinc/05/92/63/360059263.db2.gz ODRLHDHSQHAFOI-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc(OC)nc1 ZINC000090169644 360060177 /nfs/dbraw/zinc/06/01/77/360060177.db2.gz DXNABANJLLHLKT-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO CC(C)C1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612909950 360173228 /nfs/dbraw/zinc/17/32/28/360173228.db2.gz RMZIRBZGIZLBCT-JTQLQIEISA-N 1 2 247.342 1.629 20 0 BDADLO CC(C)C1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612909950 360173232 /nfs/dbraw/zinc/17/32/32/360173232.db2.gz RMZIRBZGIZLBCT-JTQLQIEISA-N 1 2 247.342 1.629 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000092618914 360186513 /nfs/dbraw/zinc/18/65/13/360186513.db2.gz DWWCVLKMKAQCNY-QMMMGPOBSA-N 1 2 242.348 1.084 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000092618914 360186517 /nfs/dbraw/zinc/18/65/17/360186517.db2.gz DWWCVLKMKAQCNY-QMMMGPOBSA-N 1 2 242.348 1.084 20 0 BDADLO CCCCc1cc(NCC(C)(C)O)nc[nH+]1 ZINC000631097725 360190121 /nfs/dbraw/zinc/19/01/21/360190121.db2.gz ZBCDAEZIPPQKEK-UHFFFAOYSA-N 1 2 223.320 1.424 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093507513 360253032 /nfs/dbraw/zinc/25/30/32/360253032.db2.gz NWVPSMLETHEMGE-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093507513 360253034 /nfs/dbraw/zinc/25/30/34/360253034.db2.gz NWVPSMLETHEMGE-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000093419539 360241686 /nfs/dbraw/zinc/24/16/86/360241686.db2.gz ZLIRALSVFSWYCA-GFCCVEGCSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(F)c1 ZINC000094249975 360301127 /nfs/dbraw/zinc/30/11/27/360301127.db2.gz WTPHZRZEKBQDCB-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(F)c1 ZINC000094249975 360301132 /nfs/dbraw/zinc/30/11/32/360301132.db2.gz WTPHZRZEKBQDCB-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CC2)n[nH]1 ZINC000093645881 360266336 /nfs/dbraw/zinc/26/63/36/360266336.db2.gz UDIRBKWZRLXTKK-NSHDSACASA-N 1 2 207.277 1.021 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CC2)n[nH]1 ZINC000093645881 360266340 /nfs/dbraw/zinc/26/63/40/360266340.db2.gz UDIRBKWZRLXTKK-NSHDSACASA-N 1 2 207.277 1.021 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCCF)C1 ZINC000613010248 360270872 /nfs/dbraw/zinc/27/08/72/360270872.db2.gz WBHNHTXWJGOYPO-JTQLQIEISA-N 1 2 239.294 1.486 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cnc[nH]1 ZINC000093863982 360285057 /nfs/dbraw/zinc/28/50/57/360285057.db2.gz LXNRKYXBIOFLCR-LBPRGKRZSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cnc[nH]1 ZINC000093863982 360285061 /nfs/dbraw/zinc/28/50/61/360285061.db2.gz LXNRKYXBIOFLCR-LBPRGKRZSA-N 1 2 245.330 1.653 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000096785737 360354384 /nfs/dbraw/zinc/35/43/84/360354384.db2.gz ZISXWXCJAAHWOH-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc(C(C)C)[nH+]cn2)C1 ZINC000096474540 360349015 /nfs/dbraw/zinc/34/90/15/360349015.db2.gz DHFBBLPTRJOIBA-SNVBAGLBSA-N 1 2 249.314 1.599 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096593386 360349929 /nfs/dbraw/zinc/34/99/29/360349929.db2.gz YMACBICYUYTFQR-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096593386 360349930 /nfs/dbraw/zinc/34/99/30/360349930.db2.gz YMACBICYUYTFQR-TUAOUCFPSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1ccc(NC(=O)c2cccc(N)n2)c(C)[nH+]1 ZINC000094667100 360314660 /nfs/dbraw/zinc/31/46/60/360314660.db2.gz TVSUAJNIUKUDPK-UHFFFAOYSA-N 1 2 242.282 1.928 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cccnc2N)n1 ZINC000094925942 360327650 /nfs/dbraw/zinc/32/76/50/360327650.db2.gz HCHCSKSNWKYJNZ-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cccnc2N)n1 ZINC000094925942 360327654 /nfs/dbraw/zinc/32/76/54/360327654.db2.gz HCHCSKSNWKYJNZ-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO CC(C)(F)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000633720460 360373534 /nfs/dbraw/zinc/37/35/34/360373534.db2.gz MTCHQRSKHXRANU-VIFPVBQESA-N 1 2 239.294 1.310 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC2CC2)[nH+]1 ZINC000309415830 491148935 /nfs/dbraw/zinc/14/89/35/491148935.db2.gz CQHOSDMKMZAALR-UHFFFAOYSA-N 1 2 221.308 1.458 20 0 BDADLO Cc1nc(NCCC2CC2)nc(N(C)C)[nH+]1 ZINC000309415830 491148936 /nfs/dbraw/zinc/14/89/36/491148936.db2.gz CQHOSDMKMZAALR-UHFFFAOYSA-N 1 2 221.308 1.458 20 0 BDADLO CCO[C@@H]1C[C@@H]1[NH2+]Cc1c(F)ccc(O)c1F ZINC000552024158 325588423 /nfs/dbraw/zinc/58/84/23/325588423.db2.gz HNOKTMCJHJTOHF-GXSJLCMTSA-N 1 2 243.253 1.937 20 0 BDADLO Cc1nc(N2CC[C@@H](C)C3(CCC3)C2)nc(N)[nH+]1 ZINC000631192491 360575484 /nfs/dbraw/zinc/57/54/84/360575484.db2.gz XUBHPDSSPMWPQK-SECBINFHSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C)C3(CCC3)C2)[nH+]1 ZINC000631192491 360575491 /nfs/dbraw/zinc/57/54/91/360575491.db2.gz XUBHPDSSPMWPQK-SECBINFHSA-N 1 2 247.346 1.609 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000138340872 360582609 /nfs/dbraw/zinc/58/26/09/360582609.db2.gz HFPJRLDYRQDJEM-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000138340872 360582613 /nfs/dbraw/zinc/58/26/13/360582613.db2.gz HFPJRLDYRQDJEM-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO CCC(F)(F)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000628840573 360690032 /nfs/dbraw/zinc/69/00/32/360690032.db2.gz FVMKYLIINQBQFM-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO CC[C@H](NC(=O)C1CSC1)c1[nH]cc[nH+]1 ZINC000632509975 360702963 /nfs/dbraw/zinc/70/29/63/360702963.db2.gz TYXYQAVDRHMLRM-QMMMGPOBSA-N 1 2 225.317 1.340 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC1CC1 ZINC000628914638 360748762 /nfs/dbraw/zinc/74/87/62/360748762.db2.gz OGYZVDQBEIKUNP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCC1CC1 ZINC000628914638 360748769 /nfs/dbraw/zinc/74/87/69/360748769.db2.gz OGYZVDQBEIKUNP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCCC1CC1 ZINC000628914637 360748950 /nfs/dbraw/zinc/74/89/50/360748950.db2.gz OGYZVDQBEIKUNP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCCC1CC1 ZINC000628914637 360748954 /nfs/dbraw/zinc/74/89/54/360748954.db2.gz OGYZVDQBEIKUNP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCC1CCC1 ZINC000628916459 360751503 /nfs/dbraw/zinc/75/15/03/360751503.db2.gz DGHUYSAEDUNKPK-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCC1CCC1 ZINC000628916459 360751512 /nfs/dbraw/zinc/75/15/12/360751512.db2.gz DGHUYSAEDUNKPK-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000629031701 360809318 /nfs/dbraw/zinc/80/93/18/360809318.db2.gz SOXDPUUNJBRTQF-DLRQAJBASA-N 1 2 233.315 1.446 20 0 BDADLO NC(=O)c1csc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC000293883421 181311056 /nfs/dbraw/zinc/31/10/56/181311056.db2.gz DGFFYGPRBLXCBB-SECBINFHSA-N 1 2 242.319 1.781 20 0 BDADLO NC(=O)c1csc(C[N@H+]2CCC[C@@H]2CF)c1 ZINC000293883421 181311057 /nfs/dbraw/zinc/31/10/57/181311057.db2.gz DGFFYGPRBLXCBB-SECBINFHSA-N 1 2 242.319 1.781 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000629032951 360814413 /nfs/dbraw/zinc/81/44/13/360814413.db2.gz QUUAEPNWKUQCDH-PBKGFPTLSA-N 1 2 219.288 1.138 20 0 BDADLO CN(C)c1ccc(CSc2nncn2C)c[nH+]1 ZINC000629089220 360871852 /nfs/dbraw/zinc/87/18/52/360871852.db2.gz UVDNGUMWMWMOEA-UHFFFAOYSA-N 1 2 249.343 1.568 20 0 BDADLO CC(C)[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000265005391 200749665 /nfs/dbraw/zinc/74/96/65/200749665.db2.gz BTFOIMDAOVFNJN-NSHDSACASA-N 1 2 235.331 1.902 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@]12C[C@H]1CCCC2 ZINC000634088148 360906173 /nfs/dbraw/zinc/90/61/73/360906173.db2.gz XKVFXJFCHPCSGV-ZYHUDNBSSA-N 1 2 219.288 1.332 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629128187 360891767 /nfs/dbraw/zinc/89/17/67/360891767.db2.gz QVRJHTYMSIFFAP-QWRGUYRKSA-N 1 2 249.314 1.026 20 0 BDADLO CCC[C@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451839926 202487992 /nfs/dbraw/zinc/48/79/92/202487992.db2.gz SDRDUXZESJOZFO-BDAKNGLRSA-N 1 2 225.279 1.095 20 0 BDADLO CCC[C@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451839926 202487995 /nfs/dbraw/zinc/48/79/95/202487995.db2.gz SDRDUXZESJOZFO-BDAKNGLRSA-N 1 2 225.279 1.095 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCO1)C(C)(C)C ZINC000041051829 361206238 /nfs/dbraw/zinc/20/62/38/361206238.db2.gz AYVBBEUCRYPYBG-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000579105916 366710786 /nfs/dbraw/zinc/71/07/86/366710786.db2.gz JSAPETZKOPADTA-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000579105916 366710788 /nfs/dbraw/zinc/71/07/88/366710788.db2.gz JSAPETZKOPADTA-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ncccn1 ZINC000579130930 366722479 /nfs/dbraw/zinc/72/24/79/366722479.db2.gz WAMFXKDKWRKGIC-LLVKDONJSA-N 1 2 243.314 1.377 20 0 BDADLO C[C@@H](O)[C@H](NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000579015255 366697027 /nfs/dbraw/zinc/69/70/27/366697027.db2.gz MYMHLFQMAIUPJI-RNCFNFMXSA-N 1 2 249.289 1.761 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000579015255 366697031 /nfs/dbraw/zinc/69/70/31/366697031.db2.gz MYMHLFQMAIUPJI-RNCFNFMXSA-N 1 2 249.289 1.761 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428359695 201011728 /nfs/dbraw/zinc/01/17/28/201011728.db2.gz QQMDCKUVXIOQGB-DCQANWLSSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ncn1 ZINC000428408939 201012660 /nfs/dbraw/zinc/01/26/60/201012660.db2.gz ZKXVLGARLFGKKK-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ncn1 ZINC000428408939 201012663 /nfs/dbraw/zinc/01/26/63/201012663.db2.gz ZKXVLGARLFGKKK-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000428436147 201014665 /nfs/dbraw/zinc/01/46/65/201014665.db2.gz HEULLOACAAZFQP-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000428436147 201014668 /nfs/dbraw/zinc/01/46/68/201014668.db2.gz HEULLOACAAZFQP-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H](F)C1 ZINC000579245734 366744788 /nfs/dbraw/zinc/74/47/88/366744788.db2.gz PMGODKOOGLLCMI-MNOVXSKESA-N 1 2 239.294 1.670 20 0 BDADLO CCc1nc(C)c(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000428462442 201019266 /nfs/dbraw/zinc/01/92/66/201019266.db2.gz LCJILBLWFFUZRY-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nc(C)c(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000428462442 201019269 /nfs/dbraw/zinc/01/92/69/201019269.db2.gz LCJILBLWFFUZRY-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO Cc1cnccc1CC[N@@H+](C)Cc1nncn1C ZINC000579232209 366740565 /nfs/dbraw/zinc/74/05/65/366740565.db2.gz MZURIWNMMCWIOI-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1cnccc1CC[N@H+](C)Cc1nncn1C ZINC000579232209 366740569 /nfs/dbraw/zinc/74/05/69/366740569.db2.gz MZURIWNMMCWIOI-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1nc(C(C)C)oc1C[N@H+](C)CC(N)=O ZINC000428468656 201021858 /nfs/dbraw/zinc/02/18/58/201021858.db2.gz PKVSANVBTRFTNG-UHFFFAOYSA-N 1 2 225.292 1.024 20 0 BDADLO Cc1nc(C(C)C)oc1C[N@@H+](C)CC(N)=O ZINC000428468656 201021860 /nfs/dbraw/zinc/02/18/60/201021860.db2.gz PKVSANVBTRFTNG-UHFFFAOYSA-N 1 2 225.292 1.024 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ncn1 ZINC000428490814 201023641 /nfs/dbraw/zinc/02/36/41/201023641.db2.gz PGFICZBZPCYEHV-TUAOUCFPSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ncn1 ZINC000428490814 201023643 /nfs/dbraw/zinc/02/36/43/201023643.db2.gz PGFICZBZPCYEHV-TUAOUCFPSA-N 1 2 235.331 1.783 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C(F)F)n2)CC[C@@H]1O ZINC000428481609 201024460 /nfs/dbraw/zinc/02/44/60/201024460.db2.gz FSMNTNPREHBWAJ-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C(F)F)n2)CC[C@@H]1O ZINC000428481609 201024462 /nfs/dbraw/zinc/02/44/62/201024462.db2.gz FSMNTNPREHBWAJ-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cn[nH]c1 ZINC000614252903 363771523 /nfs/dbraw/zinc/77/15/23/363771523.db2.gz BVZPCBUWAXWFNI-KOLCDFICSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cn[nH]c1 ZINC000614252903 363771525 /nfs/dbraw/zinc/77/15/25/363771525.db2.gz BVZPCBUWAXWFNI-KOLCDFICSA-N 1 2 237.303 1.183 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](O)C[C@@H]2C)nc1 ZINC000429114829 201067663 /nfs/dbraw/zinc/06/76/63/201067663.db2.gz LSZBEJBGMBUFSO-QWRGUYRKSA-N 1 2 221.304 1.130 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)nc1 ZINC000429114829 201067665 /nfs/dbraw/zinc/06/76/65/201067665.db2.gz LSZBEJBGMBUFSO-QWRGUYRKSA-N 1 2 221.304 1.130 20 0 BDADLO CC[C@](C)(O)C[N@H+](C)Cc1nncn1C(C)C ZINC000429289605 201090933 /nfs/dbraw/zinc/09/09/33/201090933.db2.gz CERVAOATVKNBPD-LBPRGKRZSA-N 1 2 240.351 1.452 20 0 BDADLO CC[C@](C)(O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429289605 201090935 /nfs/dbraw/zinc/09/09/35/201090935.db2.gz CERVAOATVKNBPD-LBPRGKRZSA-N 1 2 240.351 1.452 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1nc(C)cs1 ZINC000429176754 201076520 /nfs/dbraw/zinc/07/65/20/201076520.db2.gz PNQKHGZYTZNSAJ-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1nc(C)cs1 ZINC000429176754 201076523 /nfs/dbraw/zinc/07/65/23/201076523.db2.gz PNQKHGZYTZNSAJ-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ocnc1C1CC1 ZINC000579396436 366777315 /nfs/dbraw/zinc/77/73/15/366777315.db2.gz WOZKCJVFJHIJPD-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@H+](CCCF)CCO1 ZINC000429636321 201123965 /nfs/dbraw/zinc/12/39/65/201123965.db2.gz UACXBBLHBYZXKD-SNVBAGLBSA-N 1 2 215.268 1.026 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@@H+](CCCF)CCO1 ZINC000429636321 201123969 /nfs/dbraw/zinc/12/39/69/201123969.db2.gz UACXBBLHBYZXKD-SNVBAGLBSA-N 1 2 215.268 1.026 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCc1cn[nH]c1 ZINC000430092373 201142676 /nfs/dbraw/zinc/14/26/76/201142676.db2.gz ZLQPPFHBYICEQV-UHFFFAOYSA-N 1 2 246.299 1.379 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1[nH]c(C)nc1C ZINC000622076357 370695988 /nfs/dbraw/zinc/69/59/88/370695988.db2.gz BLZWVHQEWWBWAI-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@@H](SC)C2)n1 ZINC000448545535 201198127 /nfs/dbraw/zinc/19/81/27/201198127.db2.gz DBSFJHUNNGMMBG-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@@H](SC)C2)n1 ZINC000448545535 201198131 /nfs/dbraw/zinc/19/81/31/201198131.db2.gz DBSFJHUNNGMMBG-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCCO[C@H](C)C2)[nH+]1 ZINC000433774865 201192865 /nfs/dbraw/zinc/19/28/65/201192865.db2.gz QDYUXXTWGWVPJI-SECBINFHSA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCCCO2)[nH+]1 ZINC000433789646 201193557 /nfs/dbraw/zinc/19/35/57/201193557.db2.gz ORQXTOHHXYEMIH-SNVBAGLBSA-N 1 2 246.314 1.669 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2ccoc2)[nH+]1 ZINC000433788583 201193577 /nfs/dbraw/zinc/19/35/77/201193577.db2.gz HRZYQQORLILNGE-UHFFFAOYSA-N 1 2 228.255 1.893 20 0 BDADLO COC1CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000433796053 201193827 /nfs/dbraw/zinc/19/38/27/201193827.db2.gz IOVWFYDTGFQVKI-UHFFFAOYSA-N 1 2 218.260 1.101 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nsc(N(C)C)n2)[C@@H]1C ZINC000154301049 201273692 /nfs/dbraw/zinc/27/36/92/201273692.db2.gz OWODHMLXHACXDR-RKDXNWHRSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)[C@@H]1C ZINC000154301049 201273696 /nfs/dbraw/zinc/27/36/96/201273696.db2.gz OWODHMLXHACXDR-RKDXNWHRSA-N 1 2 240.376 1.834 20 0 BDADLO c1cnnc(CNc2cc[nH+]c3ccncc23)c1 ZINC000436422225 201324411 /nfs/dbraw/zinc/32/44/11/201324411.db2.gz LOFJKHPINZHXND-UHFFFAOYSA-N 1 2 237.266 1.454 20 0 BDADLO Cc1nc(N2CC(C(C)(C)O)C2)c(C)c(C)[nH+]1 ZINC000436472655 201329769 /nfs/dbraw/zinc/32/97/69/201329769.db2.gz ZJJOSCYVZLBPPZ-UHFFFAOYSA-N 1 2 235.331 1.609 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000450245422 201313957 /nfs/dbraw/zinc/31/39/57/201313957.db2.gz PEJRCXCTJQXTET-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)s1 ZINC000450245422 201313960 /nfs/dbraw/zinc/31/39/60/201313960.db2.gz PEJRCXCTJQXTET-VIFPVBQESA-N 1 2 241.360 1.618 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@H](C)O)[nH+]1 ZINC000436635909 201333371 /nfs/dbraw/zinc/33/33/71/201333371.db2.gz PGKKXPQYUQDDJI-ZETCQYMHSA-N 1 2 220.276 1.083 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)[C@H](CO)C2)[nH+]1 ZINC000436907488 201341992 /nfs/dbraw/zinc/34/19/92/201341992.db2.gz KKVQWTIIEGWEOQ-SCZZXKLOSA-N 1 2 246.314 1.331 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000614428949 363814225 /nfs/dbraw/zinc/81/42/25/363814225.db2.gz SBAKGFNIRWVMLJ-SNVBAGLBSA-N 1 2 249.314 1.040 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](CC)C(=O)OC ZINC000452020507 202511346 /nfs/dbraw/zinc/51/13/46/202511346.db2.gz NDTXRTZLPPYQTO-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO O=C(CCCF)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000614702033 363931910 /nfs/dbraw/zinc/93/19/10/363931910.db2.gz FHIBYQGRUOYKDN-SECBINFHSA-N 1 2 225.267 1.064 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614799730 363977642 /nfs/dbraw/zinc/97/76/42/363977642.db2.gz VBPVRKVAFVEYAH-KXUCPTDWSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614799730 363977645 /nfs/dbraw/zinc/97/76/45/363977645.db2.gz VBPVRKVAFVEYAH-KXUCPTDWSA-N 1 2 233.315 1.429 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C)cn1 ZINC000614918361 364086182 /nfs/dbraw/zinc/08/61/82/364086182.db2.gz NQDOSOVISDCOHM-LBPRGKRZSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)cn1 ZINC000614918361 364086186 /nfs/dbraw/zinc/08/61/86/364086186.db2.gz NQDOSOVISDCOHM-LBPRGKRZSA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(C)(C)C(=O)NCCCn1cc[nH+]c1 ZINC000630407024 364143844 /nfs/dbraw/zinc/14/38/44/364143844.db2.gz PVSVDQDYPOUPMT-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cn(C)cn1 ZINC000622083359 370699756 /nfs/dbraw/zinc/69/97/56/370699756.db2.gz BXMGVTJQAWUHBM-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cncn1C ZINC000622084090 370701220 /nfs/dbraw/zinc/70/12/20/370701220.db2.gz RMRHOIJNRFRFRD-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)F ZINC000630399750 364127691 /nfs/dbraw/zinc/12/76/91/364127691.db2.gz DMYQBNRFFWWVSZ-VIFPVBQESA-N 1 2 242.298 1.319 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@H]1CC1(F)F ZINC000622194878 370756373 /nfs/dbraw/zinc/75/63/73/370756373.db2.gz BTCPYTGHYUSHKN-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO Cc1ccoc1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000615039194 364407148 /nfs/dbraw/zinc/40/71/48/364407148.db2.gz GVIQSUCAYLVTPJ-UHFFFAOYSA-N 1 2 245.282 1.369 20 0 BDADLO c1cn(Cc2cn(C[C@@H]3C[C@H]4C[C@H]4C3)nn2)c[nH+]1 ZINC000630614102 364344695 /nfs/dbraw/zinc/34/46/95/364344695.db2.gz BVUJNJIBZHSLPB-ZSBIGDGJSA-N 1 2 243.314 1.569 20 0 BDADLO CCSCC[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000135793419 364450439 /nfs/dbraw/zinc/45/04/39/364450439.db2.gz ZFIUNAQTPAAXPY-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCSCC[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000135793419 364450443 /nfs/dbraw/zinc/45/04/43/364450443.db2.gz ZFIUNAQTPAAXPY-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000135126330 364427934 /nfs/dbraw/zinc/42/79/34/364427934.db2.gz ASJANSRHNGTXFB-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1CSC1 ZINC000630747442 364533774 /nfs/dbraw/zinc/53/37/74/364533774.db2.gz RFCGFRWYYJZDOQ-VIFPVBQESA-N 1 2 239.344 1.141 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000622237507 370782730 /nfs/dbraw/zinc/78/27/30/370782730.db2.gz FDFDWNGDSYFUDE-HTAVTVPLSA-N 1 2 247.342 1.608 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615212896 364630453 /nfs/dbraw/zinc/63/04/53/364630453.db2.gz XAERPNBSMRAHIH-VHSXEESVSA-N 1 2 233.315 1.526 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615212896 364630461 /nfs/dbraw/zinc/63/04/61/364630461.db2.gz XAERPNBSMRAHIH-VHSXEESVSA-N 1 2 233.315 1.526 20 0 BDADLO Fc1nc(F)c(F)c(-n2cc[nH+]c2)c1F ZINC000087115184 364730429 /nfs/dbraw/zinc/73/04/29/364730429.db2.gz BKAWFUCNRNYCPQ-UHFFFAOYSA-N 1 2 217.125 1.824 20 0 BDADLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)CO ZINC000573331235 364801951 /nfs/dbraw/zinc/80/19/51/364801951.db2.gz RHVYQZVOYPFCQV-QWRGUYRKSA-N 1 2 239.319 1.064 20 0 BDADLO c1ccc(NCc2nnc3n2CCC3)[nH+]c1 ZINC000297079525 364788114 /nfs/dbraw/zinc/78/81/14/364788114.db2.gz ZGQITMOYOLGYRZ-UHFFFAOYSA-N 1 2 215.260 1.231 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC1(C)C ZINC000573384861 364820236 /nfs/dbraw/zinc/82/02/36/364820236.db2.gz ICQIOMWZGJVDPX-KOLCDFICSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC1(C)C ZINC000573384861 364820241 /nfs/dbraw/zinc/82/02/41/364820241.db2.gz ICQIOMWZGJVDPX-KOLCDFICSA-N 1 2 235.331 1.845 20 0 BDADLO Cc1cc(C)n(CC[NH+]2CC(C(F)(F)F)C2)n1 ZINC000573654407 364883004 /nfs/dbraw/zinc/88/30/04/364883004.db2.gz JQSFEVVODPZGRZ-UHFFFAOYSA-N 1 2 247.264 1.994 20 0 BDADLO C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC=CCC1 ZINC000573683595 364892057 /nfs/dbraw/zinc/89/20/57/364892057.db2.gz VNGCIUSGNFBPKD-GFCCVEGCSA-N 1 2 219.288 1.498 20 0 BDADLO Cc1c(CN(C)c2cc[nH+]c(C)n2)cnn1C ZINC000573909800 364942877 /nfs/dbraw/zinc/94/28/77/364942877.db2.gz IBJHSAJFBFGGJQ-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO CC(C)c1[nH+]ccn1CCc1c[nH]nn1 ZINC000574473128 365071527 /nfs/dbraw/zinc/07/15/27/365071527.db2.gz OSCWTQBYOPVILZ-UHFFFAOYSA-N 1 2 205.265 1.367 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1cnccn1 ZINC000574380522 365048426 /nfs/dbraw/zinc/04/84/26/365048426.db2.gz YCNPNTNKJVAELG-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1cnccn1 ZINC000574380522 365048429 /nfs/dbraw/zinc/04/84/29/365048429.db2.gz YCNPNTNKJVAELG-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO CC1CCC(O)(C[NH2+]CC(F)(F)CO)CC1 ZINC000574400590 365053987 /nfs/dbraw/zinc/05/39/87/365053987.db2.gz TWXVHCTYUQBHEP-UHFFFAOYSA-N 1 2 237.290 1.145 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC1 ZINC000574529701 365083568 /nfs/dbraw/zinc/08/35/68/365083568.db2.gz YYFOSOGIZVVKOB-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC1 ZINC000574529701 365083574 /nfs/dbraw/zinc/08/35/74/365083574.db2.gz YYFOSOGIZVVKOB-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO Nc1cc(CSc2nc3c([nH]2)CCC3)cc[nH+]1 ZINC000574740677 365132432 /nfs/dbraw/zinc/13/24/32/365132432.db2.gz AZIYQJPWGHGPCN-UHFFFAOYSA-N 1 2 246.339 1.998 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574753820 365134751 /nfs/dbraw/zinc/13/47/51/365134751.db2.gz ARTGLXQDRVLSSH-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000574753820 365134754 /nfs/dbraw/zinc/13/47/54/365134754.db2.gz ARTGLXQDRVLSSH-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)c1cc(CNCc2[nH]cc[nH+]2)oc1C ZINC000080583191 370793068 /nfs/dbraw/zinc/79/30/68/370793068.db2.gz XHFRWEIRPZISJK-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2ncc[nH]2)oc1C ZINC000080583191 370793075 /nfs/dbraw/zinc/79/30/75/370793075.db2.gz XHFRWEIRPZISJK-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000574805749 365147603 /nfs/dbraw/zinc/14/76/03/365147603.db2.gz KHEYOUMLBZHITE-PSASIEDQSA-N 1 2 231.299 1.498 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000574805749 365147610 /nfs/dbraw/zinc/14/76/10/365147610.db2.gz KHEYOUMLBZHITE-PSASIEDQSA-N 1 2 231.299 1.498 20 0 BDADLO CC(C)c1nc(N2CC(C(C)(C)O)C2)cc[nH+]1 ZINC000443998468 193033331 /nfs/dbraw/zinc/03/33/31/193033331.db2.gz VAGVASUKBYMXGP-UHFFFAOYSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)[C@H](O)CCNc1cc[nH+]c2ccncc12 ZINC000444087913 193034094 /nfs/dbraw/zinc/03/40/94/193034094.db2.gz RSPGENCWTPRHPP-CQSZACIVSA-N 1 2 245.326 1.871 20 0 BDADLO C[C@@H](NC(=O)[C@H]1[C@@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000575071959 365189075 /nfs/dbraw/zinc/18/90/75/365189075.db2.gz MTLHYTUZPMUHLL-FSDSQADBSA-N 1 2 229.230 1.488 20 0 BDADLO COCCC[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000443411541 193021139 /nfs/dbraw/zinc/02/11/39/193021139.db2.gz WNXWSCZFWGFXJE-UHFFFAOYSA-N 1 2 237.278 1.583 20 0 BDADLO C/C=C(\C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000575123220 365212939 /nfs/dbraw/zinc/21/29/39/365212939.db2.gz OHUOOGIHKMCUKH-XBXARRHUSA-N 1 2 218.260 1.817 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(O)c1 ZINC000622273922 370814099 /nfs/dbraw/zinc/81/40/99/370814099.db2.gz MHMWJGZADNVRHF-VIFPVBQESA-N 1 2 245.282 1.933 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(O)c1 ZINC000622273922 370814101 /nfs/dbraw/zinc/81/41/01/370814101.db2.gz MHMWJGZADNVRHF-VIFPVBQESA-N 1 2 245.282 1.933 20 0 BDADLO CCN(CCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000575373584 365304398 /nfs/dbraw/zinc/30/43/98/365304398.db2.gz XBPOYVHRRGJBSN-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1cocn1 ZINC000192285764 365315963 /nfs/dbraw/zinc/31/59/63/365315963.db2.gz RSOUPDQYNUWAFP-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC1(F)F ZINC000575428992 365318527 /nfs/dbraw/zinc/31/85/27/365318527.db2.gz GKXJWHXXRDHYSY-ZETCQYMHSA-N 1 2 229.230 1.174 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2cocn2)no1 ZINC000575600520 365333890 /nfs/dbraw/zinc/33/38/90/365333890.db2.gz UCYXRNNMEUCGOJ-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2cocn2)no1 ZINC000575600520 365333897 /nfs/dbraw/zinc/33/38/97/365333897.db2.gz UCYXRNNMEUCGOJ-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nncn1C ZINC000172913900 365386939 /nfs/dbraw/zinc/38/69/39/365386939.db2.gz DWAZQNYLEIVSOR-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1nncn1C ZINC000172913900 365386944 /nfs/dbraw/zinc/38/69/44/365386944.db2.gz DWAZQNYLEIVSOR-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO CCc1cnccc1C(=O)NCCn1cc[nH+]c1 ZINC000182512083 366912582 /nfs/dbraw/zinc/91/25/82/366912582.db2.gz HMEMMSVRPQRLTI-UHFFFAOYSA-N 1 2 244.298 1.271 20 0 BDADLO CCc1cnccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000182541196 366915181 /nfs/dbraw/zinc/91/51/81/366915181.db2.gz PHGFBERFKIYXKD-UHFFFAOYSA-N 1 2 244.298 1.340 20 0 BDADLO Cn1cc[nH+]c1CN1CCC(=O)CC12CCC2 ZINC000579729531 366995060 /nfs/dbraw/zinc/99/50/60/366995060.db2.gz PDPPUUILPVSYKT-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO CCn1ccc(CNCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000579735157 366999410 /nfs/dbraw/zinc/99/94/10/366999410.db2.gz VABAALLQDNEMGR-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO C[C@@H](CC(=O)N1CC(F)C1)n1cc[nH+]c1 ZINC000579846045 367046498 /nfs/dbraw/zinc/04/64/98/367046498.db2.gz PBTCPKGBQXVKCA-QMMMGPOBSA-N 1 2 211.240 1.015 20 0 BDADLO C[C@H](CC(=O)N1CC(F)C1)n1cc[nH+]c1 ZINC000579846044 367047106 /nfs/dbraw/zinc/04/71/06/367047106.db2.gz PBTCPKGBQXVKCA-MRVPVSSYSA-N 1 2 211.240 1.015 20 0 BDADLO c1cn(C[C@@H]2CCCN2c2cccnn2)c[nH+]1 ZINC000581003549 367230106 /nfs/dbraw/zinc/23/01/06/367230106.db2.gz SJILUEMPEFKHRK-NSHDSACASA-N 1 2 229.287 1.342 20 0 BDADLO C[C@H](F)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581015559 367237118 /nfs/dbraw/zinc/23/71/18/367237118.db2.gz YHRMIBPNUUJHRT-UWVGGRQHSA-N 1 2 227.283 1.699 20 0 BDADLO COC[C@@H](C)C[NH2+][C@H](CC(F)F)C(=O)OC ZINC000381774136 367456584 /nfs/dbraw/zinc/45/65/84/367456584.db2.gz WOOJNJMRZRSBGQ-JGVFFNPUSA-N 1 2 239.262 1.055 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000581585575 367612608 /nfs/dbraw/zinc/61/26/08/367612608.db2.gz PGWRAMXJKAIPEG-UHFFFAOYSA-N 1 2 249.358 1.751 20 0 BDADLO C[NH2+]Cc1noc(CO[C@@H]2CCC[C@@H](C)C2)n1 ZINC000581871934 367859920 /nfs/dbraw/zinc/85/99/20/367859920.db2.gz CVVJHYOUGLGHCD-NXEZZACHSA-N 1 2 239.319 1.884 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000075682018 367942178 /nfs/dbraw/zinc/94/21/78/367942178.db2.gz YHPXSISNSQLVBT-MNOVXSKESA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000075682025 367942360 /nfs/dbraw/zinc/94/23/60/367942360.db2.gz YHPXSISNSQLVBT-WDEREUQCSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@](O)(CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000581930405 367955170 /nfs/dbraw/zinc/95/51/70/367955170.db2.gz HOPXAFQCKMDKDA-ZDUSSCGKSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@](O)(CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000581930405 367955175 /nfs/dbraw/zinc/95/51/75/367955175.db2.gz HOPXAFQCKMDKDA-ZDUSSCGKSA-N 1 2 248.330 1.624 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@H]2C)on1 ZINC000581951797 368018687 /nfs/dbraw/zinc/01/86/87/368018687.db2.gz NNHWSTXVHMORSR-HTQZYQBOSA-N 1 2 208.261 1.717 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)on1 ZINC000581951797 368018693 /nfs/dbraw/zinc/01/86/93/368018693.db2.gz NNHWSTXVHMORSR-HTQZYQBOSA-N 1 2 208.261 1.717 20 0 BDADLO CC(=O)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000615576985 368110952 /nfs/dbraw/zinc/11/09/52/368110952.db2.gz LVGRTEGUIMCNBA-LBPRGKRZSA-N 1 2 249.314 1.231 20 0 BDADLO C[C@@H](CC(=O)N(C)CCCCO)n1cc[nH+]c1 ZINC000566340775 326035109 /nfs/dbraw/zinc/03/51/09/326035109.db2.gz IURIGHGVDQCKDW-NSHDSACASA-N 1 2 239.319 1.065 20 0 BDADLO CCn1c[nH+]cc1CNc1cncc(N(C)C)c1 ZINC000630956100 368149658 /nfs/dbraw/zinc/14/96/58/368149658.db2.gz LBPIDIUKSRWKIJ-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569782 368314332 /nfs/dbraw/zinc/31/43/32/368314332.db2.gz MWALAKGUMKSJSJ-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569782 368314338 /nfs/dbraw/zinc/31/43/38/368314338.db2.gz MWALAKGUMKSJSJ-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H](C1CC1)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000104100979 368279868 /nfs/dbraw/zinc/27/98/68/368279868.db2.gz RIEDBHGASIMWNF-VIFPVBQESA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000104100979 368279881 /nfs/dbraw/zinc/27/98/81/368279881.db2.gz RIEDBHGASIMWNF-VIFPVBQESA-N 1 2 246.314 1.253 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CCSCC2)o1 ZINC000061283663 368560574 /nfs/dbraw/zinc/56/05/74/368560574.db2.gz IKCCMNOFFSACNW-UHFFFAOYSA-N 1 2 241.312 1.615 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1CCCCC1 ZINC000061512262 368564752 /nfs/dbraw/zinc/56/47/52/368564752.db2.gz PUFJZWHQMQIVAY-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1CCCC1 ZINC000063707223 368594131 /nfs/dbraw/zinc/59/41/31/368594131.db2.gz LCIRFMFWUFSSIQ-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CCC[N@H+](C)Cc1nnc(OCC)s1 ZINC000063755546 368595567 /nfs/dbraw/zinc/59/55/67/368595567.db2.gz DPLFKHUKYRGNRZ-UHFFFAOYSA-N 1 2 215.322 1.779 20 0 BDADLO CCC[N@@H+](C)Cc1nnc(OCC)s1 ZINC000063755546 368595573 /nfs/dbraw/zinc/59/55/73/368595573.db2.gz DPLFKHUKYRGNRZ-UHFFFAOYSA-N 1 2 215.322 1.779 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)c1ccon1 ZINC000067291563 368683535 /nfs/dbraw/zinc/68/35/35/368683535.db2.gz SJMQRAKLOXOWRY-UHFFFAOYSA-N 1 2 246.270 1.066 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC12CC2 ZINC000622448803 370925241 /nfs/dbraw/zinc/92/52/41/370925241.db2.gz TVYBFNNFANQKSL-NSHDSACASA-N 1 2 233.315 1.532 20 0 BDADLO Cc1ccc(NC(=O)c2ncc[nH]2)c(C)[nH+]1 ZINC000622425871 370913852 /nfs/dbraw/zinc/91/38/52/370913852.db2.gz OZEYQPRLFQPANB-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000072621208 368775786 /nfs/dbraw/zinc/77/57/86/368775786.db2.gz WVXJVXMHPJLIOV-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1F ZINC000069251397 368749671 /nfs/dbraw/zinc/74/96/71/368749671.db2.gz CRHCBTGLQUDZMM-SNVBAGLBSA-N 1 2 239.290 1.862 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC000069251397 368749675 /nfs/dbraw/zinc/74/96/75/368749675.db2.gz CRHCBTGLQUDZMM-SNVBAGLBSA-N 1 2 239.290 1.862 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](O)C1 ZINC000074313445 368837035 /nfs/dbraw/zinc/83/70/35/368837035.db2.gz PYWIPPLJMZUPHL-IUCAKERBSA-N 1 2 239.319 1.495 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](O)C1 ZINC000074313445 368837040 /nfs/dbraw/zinc/83/70/40/368837040.db2.gz PYWIPPLJMZUPHL-IUCAKERBSA-N 1 2 239.319 1.495 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000074353073 368840418 /nfs/dbraw/zinc/84/04/18/368840418.db2.gz LPTJIBZFTNCFOS-VHSXEESVSA-N 1 2 207.277 1.188 20 0 BDADLO OCCCSc1[nH+]cc2ccccn21 ZINC000072739503 368779688 /nfs/dbraw/zinc/77/96/88/368779688.db2.gz ZYFJXUFLSZWJEP-UHFFFAOYSA-N 1 2 208.286 1.809 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCc1ccno1 ZINC000073324617 368800558 /nfs/dbraw/zinc/80/05/58/368800558.db2.gz ISHDVHJGWLVASW-UHFFFAOYSA-N 1 2 247.283 1.644 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000616164920 368998820 /nfs/dbraw/zinc/99/88/20/368998820.db2.gz KSWXUAUICXOZCX-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000616164920 368998827 /nfs/dbraw/zinc/99/88/27/368998827.db2.gz KSWXUAUICXOZCX-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO FCCn1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000623659166 369029583 /nfs/dbraw/zinc/02/95/83/369029583.db2.gz QVAADEDAAMWJOA-UHFFFAOYSA-N 1 2 209.228 1.188 20 0 BDADLO Cc1[nH]c(CNc2cnn(CCF)c2)[nH+]c1C ZINC000623660348 369066088 /nfs/dbraw/zinc/06/60/88/369066088.db2.gz JBCQGUYCZBOVNI-UHFFFAOYSA-N 1 2 237.282 1.805 20 0 BDADLO CCC(C)(C)OCC(=O)Nc1cc[nH+]cc1C ZINC000457550605 203074409 /nfs/dbraw/zinc/07/44/09/203074409.db2.gz NJCSVQCKZKLLNS-UHFFFAOYSA-N 1 2 236.315 1.956 20 0 BDADLO CC[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155018123 326179068 /nfs/dbraw/zinc/17/90/68/326179068.db2.gz FKBQBAKZFXQYGU-LLVKDONJSA-N 1 2 223.320 1.778 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000457861668 203113408 /nfs/dbraw/zinc/11/34/08/203113408.db2.gz QKVZMBJGDNXSHQ-ITGUQSILSA-N 1 2 247.342 1.515 20 0 BDADLO CCCC[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854337 203112922 /nfs/dbraw/zinc/11/29/22/203112922.db2.gz ALSAPMMONSAXHB-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)C1CCC1 ZINC000457825408 203107252 /nfs/dbraw/zinc/10/72/52/203107252.db2.gz BHJAKHKFOIBXEE-SNVBAGLBSA-N 1 2 235.331 1.955 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2=CCCCCC2)c1 ZINC000457865191 203114045 /nfs/dbraw/zinc/11/40/45/203114045.db2.gz UNNHOEKAHTXUNY-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000458087814 203131322 /nfs/dbraw/zinc/13/13/22/203131322.db2.gz CJKDXNRUHCSZAZ-YPMHNXCESA-N 1 2 235.331 1.824 20 0 BDADLO C[C@H](NC(=O)C1(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000155572385 326201325 /nfs/dbraw/zinc/20/13/25/326201325.db2.gz FDVPRHQUBQPXSA-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000458258741 203150476 /nfs/dbraw/zinc/15/04/76/203150476.db2.gz NUOGARBMUCEBKL-GRYCIOLGSA-N 1 2 233.315 1.578 20 0 BDADLO CCn1nncc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000459290386 203246748 /nfs/dbraw/zinc/24/67/48/203246748.db2.gz BLSXETZWCZKUGN-JTQLQIEISA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000459290386 203246751 /nfs/dbraw/zinc/24/67/51/203246751.db2.gz BLSXETZWCZKUGN-JTQLQIEISA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnnn2CC)C[C@@H](C)O1 ZINC000459352868 203264838 /nfs/dbraw/zinc/26/48/38/203264838.db2.gz WLBIJEMQNORPMV-PWSUYJOCSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnnn2CC)C[C@@H](C)O1 ZINC000459352868 203264840 /nfs/dbraw/zinc/26/48/40/203264840.db2.gz WLBIJEMQNORPMV-PWSUYJOCSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnnn2CC)C[C@H](C)O1 ZINC000459352867 203265243 /nfs/dbraw/zinc/26/52/43/203265243.db2.gz WLBIJEMQNORPMV-JQWIXIFHSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnnn2CC)C[C@H](C)O1 ZINC000459352867 203265245 /nfs/dbraw/zinc/26/52/45/203265245.db2.gz WLBIJEMQNORPMV-JQWIXIFHSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC[C@@H]1CF ZINC000459484683 203289033 /nfs/dbraw/zinc/28/90/33/203289033.db2.gz HLIFKNFDPSKOSO-SECBINFHSA-N 1 2 212.272 1.232 20 0 BDADLO CCn1nncc1C[N@H+]1CCC[C@@H]1CF ZINC000459484683 203289036 /nfs/dbraw/zinc/28/90/36/203289036.db2.gz HLIFKNFDPSKOSO-SECBINFHSA-N 1 2 212.272 1.232 20 0 BDADLO CCc1cnc(C[NH+]2CC(C(C)(C)O)C2)s1 ZINC000459607449 203313353 /nfs/dbraw/zinc/31/33/53/203313353.db2.gz FOTXJGUDMUFVHM-UHFFFAOYSA-N 1 2 240.372 1.908 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(OC)C2)cn1 ZINC000459559269 203301475 /nfs/dbraw/zinc/30/14/75/203301475.db2.gz AYBGCGQVNMSBEL-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC/C=C/CC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459565050 203303035 /nfs/dbraw/zinc/30/30/35/203303035.db2.gz XOASRVGTEPZBKD-SBDDDAINSA-N 1 2 243.347 1.901 20 0 BDADLO CCOC1(C)CN(Cc2[nH+]cc(C)n2C)C1 ZINC000459613507 203315787 /nfs/dbraw/zinc/31/57/87/203315787.db2.gz CEUMGLLQRPEQPK-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO COc1ccc(F)cc1C[NH+]1CC(C)(CO)C1 ZINC000459618890 203319247 /nfs/dbraw/zinc/31/92/47/203319247.db2.gz GXJRNQYLNYMTJG-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO CCOC1(C)CN(Cc2cccc3[nH+]ccn32)C1 ZINC000459623691 203320559 /nfs/dbraw/zinc/32/05/59/203320559.db2.gz QCUXDWGGDFCFRZ-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CCOC1(C)C[NH+](Cc2c(C)cnn2C)C1 ZINC000459625912 203322605 /nfs/dbraw/zinc/32/26/05/203322605.db2.gz UGRKTIXHKTXBPL-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)OC ZINC000404148285 369421325 /nfs/dbraw/zinc/42/13/25/369421325.db2.gz SCUCAMUCSDBMBB-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)OC ZINC000404148285 369421329 /nfs/dbraw/zinc/42/13/29/369421329.db2.gz SCUCAMUCSDBMBB-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO COCC1(O)C[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000459643162 203327618 /nfs/dbraw/zinc/32/76/18/203327618.db2.gz URMHVNFGPRABJN-JYRVWZFOSA-N 1 2 247.338 1.783 20 0 BDADLO CCCCc1cc(NCCOC)nc[nH+]1 ZINC000631030074 370959465 /nfs/dbraw/zinc/95/94/65/370959465.db2.gz MHDYDBLTOIAASI-UHFFFAOYSA-N 1 2 209.293 1.299 20 0 BDADLO COC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459726718 203341802 /nfs/dbraw/zinc/34/18/02/203341802.db2.gz GQYHNGIKUKCSAC-UHFFFAOYSA-N 1 2 223.247 1.704 20 0 BDADLO COC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459726718 203341803 /nfs/dbraw/zinc/34/18/03/203341803.db2.gz GQYHNGIKUKCSAC-UHFFFAOYSA-N 1 2 223.247 1.704 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459770266 203362481 /nfs/dbraw/zinc/36/24/81/203362481.db2.gz ZTPDEPMATFJDAQ-JTQLQIEISA-N 1 2 241.331 1.865 20 0 BDADLO CSC[C@@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459770266 203362485 /nfs/dbraw/zinc/36/24/85/203362485.db2.gz ZTPDEPMATFJDAQ-JTQLQIEISA-N 1 2 241.331 1.865 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000459769622 203362677 /nfs/dbraw/zinc/36/26/77/203362677.db2.gz HFOJXOUETXVEBI-UTUOFQBUSA-N 1 2 243.347 1.875 20 0 BDADLO CCCCc1cc(NC[C@@H]2CCCO2)nc[nH+]1 ZINC000631030527 370962413 /nfs/dbraw/zinc/96/24/13/370962413.db2.gz UFGDCDBDKCCYHV-LBPRGKRZSA-N 1 2 235.331 1.832 20 0 BDADLO CSC[C@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459770268 203364245 /nfs/dbraw/zinc/36/42/45/203364245.db2.gz ZTPDEPMATFJDAQ-SNVBAGLBSA-N 1 2 241.331 1.865 20 0 BDADLO CSC[C@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459770268 203364248 /nfs/dbraw/zinc/36/42/48/203364248.db2.gz ZTPDEPMATFJDAQ-SNVBAGLBSA-N 1 2 241.331 1.865 20 0 BDADLO COC[C@@H](C)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631034899 370982950 /nfs/dbraw/zinc/98/29/50/370982950.db2.gz VTVZINSYBGKWBZ-MRVPVSSYSA-N 1 2 246.314 1.704 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459807128 203375485 /nfs/dbraw/zinc/37/54/85/203375485.db2.gz NLIOUCOFIYIUBZ-VIFPVBQESA-N 1 2 245.319 1.069 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459807128 203375487 /nfs/dbraw/zinc/37/54/87/203375487.db2.gz NLIOUCOFIYIUBZ-VIFPVBQESA-N 1 2 245.319 1.069 20 0 BDADLO C[C@H](OCC1CC1)C(=O)Nc1cc[nH+]cc1O ZINC000109891185 369558092 /nfs/dbraw/zinc/55/80/92/369558092.db2.gz UIKOTJJKMSGUQP-QMMMGPOBSA-N 1 2 236.271 1.541 20 0 BDADLO COC(=O)c1cncnc1/C=C\c1cn(C)c[nH+]1 ZINC000619743346 369568246 /nfs/dbraw/zinc/56/82/46/369568246.db2.gz SKEUPHBQABAPPQ-ARJAWSKDSA-N 1 2 244.254 1.167 20 0 BDADLO c1cn(CCNc2ncnc3c2CCC3)c[nH+]1 ZINC000061277058 369639520 /nfs/dbraw/zinc/63/95/20/369639520.db2.gz YTOWIIWGFNQHJY-UHFFFAOYSA-N 1 2 229.287 1.274 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620011988 369670083 /nfs/dbraw/zinc/67/00/83/369670083.db2.gz UJHSGQRPIVDYKV-LLVKDONJSA-N 1 2 245.326 1.741 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620011988 369670085 /nfs/dbraw/zinc/67/00/85/369670085.db2.gz UJHSGQRPIVDYKV-LLVKDONJSA-N 1 2 245.326 1.741 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCOC2(C)C)c[nH+]1 ZINC000620510719 369901838 /nfs/dbraw/zinc/90/18/38/369901838.db2.gz PBZZYIUDJQOMSC-SECBINFHSA-N 1 2 237.303 1.263 20 0 BDADLO CC(=O)[C@@H](Sc1nc(N)cc(C)[nH+]1)C(C)C ZINC000568087206 326306603 /nfs/dbraw/zinc/30/66/03/326306603.db2.gz VCRDJMZVYHEFJC-JTQLQIEISA-N 1 2 239.344 1.903 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597720 369948955 /nfs/dbraw/zinc/94/89/55/369948955.db2.gz ZDFYZQOCFQCVNQ-VIFPVBQESA-N 1 2 232.287 1.548 20 0 BDADLO C[C@@H](NC(=O)COCC1CC1)c1[nH+]ccn1C ZINC000620597555 369949115 /nfs/dbraw/zinc/94/91/15/369949115.db2.gz XDAGJPVCDQQDEA-SECBINFHSA-N 1 2 237.303 1.024 20 0 BDADLO CCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597632 369949289 /nfs/dbraw/zinc/94/92/89/369949289.db2.gz QDFFHGSMZIMCPV-SECBINFHSA-N 1 2 209.293 1.788 20 0 BDADLO C[C@@H](NC(=O)Cc1ccco1)c1[nH+]ccn1C ZINC000620604050 369951446 /nfs/dbraw/zinc/95/14/46/369951446.db2.gz PTIWBPGALMQUMW-SECBINFHSA-N 1 2 233.271 1.433 20 0 BDADLO C[C@H](NC(=O)CC(C)(F)F)c1[nH+]ccn1C ZINC000620605389 369952942 /nfs/dbraw/zinc/95/29/42/369952942.db2.gz CFMABCYLALZDIO-ZETCQYMHSA-N 1 2 231.246 1.643 20 0 BDADLO C[C@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1[nH+]ccn1C ZINC000620604479 369953410 /nfs/dbraw/zinc/95/34/10/369953410.db2.gz RQFZDPNWSAQEQU-LNFKQOIKSA-N 1 2 249.314 1.022 20 0 BDADLO COCC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604891 369953468 /nfs/dbraw/zinc/95/34/68/369953468.db2.gz XWIBCQSPEZCOBW-VIFPVBQESA-N 1 2 239.319 1.270 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620607277 369955617 /nfs/dbraw/zinc/95/56/17/369955617.db2.gz GJFIVBWWCMERQU-IVZWLZJFSA-N 1 2 221.304 1.643 20 0 BDADLO Cc1cc(CC(=O)N[C@@H](C)c2[nH+]ccn2C)on1 ZINC000620607502 369955856 /nfs/dbraw/zinc/95/58/56/369955856.db2.gz GROBFUWEUHZRKA-VIFPVBQESA-N 1 2 248.286 1.136 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620609541 369956709 /nfs/dbraw/zinc/95/67/09/369956709.db2.gz SKUTZKZEWDCBHH-SECBINFHSA-N 1 2 246.314 1.802 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccn1 ZINC000074896635 370053801 /nfs/dbraw/zinc/05/38/01/370053801.db2.gz ILHAVUYGPMXMCX-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO FC(F)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000075890083 370178892 /nfs/dbraw/zinc/17/88/92/370178892.db2.gz BUQIPRODKRTFDV-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO CC12CC(C1)CN2C(=O)c1ccc2[nH+]ccn2c1 ZINC000621213535 370157129 /nfs/dbraw/zinc/15/71/29/370157129.db2.gz YJOJSHAIPCTMDI-UHFFFAOYSA-N 1 2 241.294 1.959 20 0 BDADLO CC12CC(C1)CN2C(=O)CCc1[nH]cc[nH+]1 ZINC000621216552 370162149 /nfs/dbraw/zinc/16/21/49/370162149.db2.gz RITFPUKLIBWFCL-UHFFFAOYSA-N 1 2 219.288 1.353 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)ccn1 ZINC000621297400 370224646 /nfs/dbraw/zinc/22/46/46/370224646.db2.gz MRANKGCLCRSBJA-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)ccn1 ZINC000621297400 370224648 /nfs/dbraw/zinc/22/46/48/370224648.db2.gz MRANKGCLCRSBJA-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO CC[C@H](C[C@@H](C)CO)Nc1cc(C)[nH+]cn1 ZINC000309685180 370244391 /nfs/dbraw/zinc/24/43/91/370244391.db2.gz HGWLAKRLQPNSCK-MWLCHTKSSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3nccnc3C2)ccn1 ZINC000621322250 370251174 /nfs/dbraw/zinc/25/11/74/370251174.db2.gz OYJBXZDMASEJHM-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cc(C[N@H+]2CCc3nccnc3C2)ccn1 ZINC000621322250 370251181 /nfs/dbraw/zinc/25/11/81/370251181.db2.gz OYJBXZDMASEJHM-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC000076345420 370268584 /nfs/dbraw/zinc/26/85/84/370268584.db2.gz FTCMRPBVDGNFEI-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC000076345420 370268586 /nfs/dbraw/zinc/26/85/86/370268586.db2.gz FTCMRPBVDGNFEI-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@H](CO)C2)nc[nH+]1 ZINC000621347874 370282727 /nfs/dbraw/zinc/28/27/27/370282727.db2.gz OFHFNOVQVCKNKP-ONGXEEELSA-N 1 2 221.304 1.240 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCOC1CCCC1 ZINC000568241398 326333376 /nfs/dbraw/zinc/33/33/76/326333376.db2.gz LGDFRVPVQKQNMS-UHFFFAOYSA-N 1 2 235.331 1.886 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC(CC2CC2)C1 ZINC000621455077 370359352 /nfs/dbraw/zinc/35/93/52/370359352.db2.gz WJQQDFWRXYDJNG-UHFFFAOYSA-N 1 2 248.330 1.362 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)[nH]1 ZINC000158606539 326331824 /nfs/dbraw/zinc/33/18/24/326331824.db2.gz HBBYAJQOBUMALE-IUCAKERBSA-N 1 2 240.376 1.693 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)[nH]1 ZINC000158606539 326331825 /nfs/dbraw/zinc/33/18/25/326331825.db2.gz HBBYAJQOBUMALE-IUCAKERBSA-N 1 2 240.376 1.693 20 0 BDADLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000112616745 370334909 /nfs/dbraw/zinc/33/49/09/370334909.db2.gz FGSCMWFJLDGDOP-JTQLQIEISA-N 1 2 248.317 1.736 20 0 BDADLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112616745 370334914 /nfs/dbraw/zinc/33/49/14/370334914.db2.gz FGSCMWFJLDGDOP-JTQLQIEISA-N 1 2 248.317 1.736 20 0 BDADLO O=C1NCC[C@H]1[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621404237 370341398 /nfs/dbraw/zinc/34/13/98/370341398.db2.gz MPHRVHUOHLBVBA-ZJUUUORDSA-N 1 2 246.301 1.679 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1ccccn1 ZINC000621721887 370472559 /nfs/dbraw/zinc/47/25/59/370472559.db2.gz CQVFBDVVXSDPQV-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1ccccn1 ZINC000621721887 370472563 /nfs/dbraw/zinc/47/25/63/370472563.db2.gz CQVFBDVVXSDPQV-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621857182 370568234 /nfs/dbraw/zinc/56/82/34/370568234.db2.gz SJDNKCDXZPUYRM-ZJUUUORDSA-N 1 2 235.331 1.992 20 0 BDADLO CC(C)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621930427 370605607 /nfs/dbraw/zinc/60/56/07/370605607.db2.gz RSFMDPAEHISBPB-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)O2)c1c[nH+]c[nH]1 ZINC000621894154 370585254 /nfs/dbraw/zinc/58/52/54/370585254.db2.gz GVHFCWJHXQWFFN-AOOOYVTPSA-N 1 2 249.314 1.077 20 0 BDADLO CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079101803 370624004 /nfs/dbraw/zinc/62/40/04/370624004.db2.gz NHKPUVNHEYIFFI-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO CCCCN(CC)C(=O)NCCn1cc[nH+]c1 ZINC000079255025 370632626 /nfs/dbraw/zinc/63/26/26/370632626.db2.gz URBNYCPEIBNZTQ-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO CC(C)(C(=O)N1CC[C@@H](C2CC2)C1)c1c[nH+]c[nH]1 ZINC000621937985 370609912 /nfs/dbraw/zinc/60/99/12/370609912.db2.gz SDIXNSWXQPJRCX-LLVKDONJSA-N 1 2 247.342 1.946 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](C)O[C@@H](C)C1 ZINC000623788068 371090460 /nfs/dbraw/zinc/09/04/60/371090460.db2.gz NJRYVZQGGVFSGR-UWVGGRQHSA-N 1 2 222.288 1.704 20 0 BDADLO FC(F)(F)CNc1cc[nH+]c(C2CC2)n1 ZINC000623892167 371142686 /nfs/dbraw/zinc/14/26/86/371142686.db2.gz GTAXCAYWBDIIIF-UHFFFAOYSA-N 1 2 217.194 1.750 20 0 BDADLO C[C@H](CO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631051830 371120821 /nfs/dbraw/zinc/12/08/21/371120821.db2.gz WLTZXVMDHYLXFP-SSDOTTSWSA-N 1 2 232.287 1.050 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnc(C)nc2)cs1 ZINC000390461010 371204660 /nfs/dbraw/zinc/20/46/60/371204660.db2.gz FSCBCDNZEPGBQN-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C(C)(C)CO)no1 ZINC000124771734 371232249 /nfs/dbraw/zinc/23/22/49/371232249.db2.gz UZMAYGJOQFYLHS-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C(C)(C)CO)no1 ZINC000124771734 371232257 /nfs/dbraw/zinc/23/22/57/371232257.db2.gz UZMAYGJOQFYLHS-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO COCCN(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631067701 371281122 /nfs/dbraw/zinc/28/11/22/371281122.db2.gz FDBJCLCREIOKCJ-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccccn2)n1 ZINC000020351108 371269589 /nfs/dbraw/zinc/26/95/89/371269589.db2.gz BGQZUSQQANZTJE-UHFFFAOYSA-N 1 2 202.261 1.105 20 0 BDADLO C[C@@H](C[S@](C)=O)Nc1nc[nH+]c2c1CCC2 ZINC000164226677 326411538 /nfs/dbraw/zinc/41/15/38/326411538.db2.gz ISXIXAOJLFMOGW-ZKANADHPSA-N 1 2 239.344 1.144 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2ccoc2)[nH]1 ZINC000392387660 371379761 /nfs/dbraw/zinc/37/97/61/371379761.db2.gz YMYKHOHBHFSJET-MRVPVSSYSA-N 1 2 220.276 1.811 20 0 BDADLO CSCCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000281548674 371380291 /nfs/dbraw/zinc/38/02/91/371380291.db2.gz KGMZMHHIAVNSOS-UHFFFAOYSA-N 1 2 241.360 1.554 20 0 BDADLO CSCCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000281548674 371380299 /nfs/dbraw/zinc/38/02/99/371380299.db2.gz KGMZMHHIAVNSOS-UHFFFAOYSA-N 1 2 241.360 1.554 20 0 BDADLO OC[C@H]1[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]12 ZINC000624238123 371426348 /nfs/dbraw/zinc/42/63/48/371426348.db2.gz LELFXMGHOLWXMH-WDNDVIMCSA-N 1 2 240.306 1.909 20 0 BDADLO O=C(COC1CCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627366487 371585050 /nfs/dbraw/zinc/58/50/50/371585050.db2.gz SMPPJTSJWSEGOY-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO O=C(COC1CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627366487 371585059 /nfs/dbraw/zinc/58/50/59/371585059.db2.gz SMPPJTSJWSEGOY-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO COc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)o1 ZINC000627374388 371590927 /nfs/dbraw/zinc/59/09/27/371590927.db2.gz SMBLIBXPYWAOEK-UHFFFAOYSA-N 1 2 247.254 1.210 20 0 BDADLO COc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000627374388 371590931 /nfs/dbraw/zinc/59/09/31/371590931.db2.gz SMBLIBXPYWAOEK-UHFFFAOYSA-N 1 2 247.254 1.210 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C(C)C ZINC000573096121 326429496 /nfs/dbraw/zinc/42/94/96/326429496.db2.gz AZCLNEIJIUSWHD-NEPJUHHUSA-N 1 2 245.363 1.835 20 0 BDADLO CCO[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000627465257 371639275 /nfs/dbraw/zinc/63/92/75/371639275.db2.gz BUYFBXFCNCCKPN-NXEZZACHSA-N 1 2 239.319 1.648 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[C@@H]1C)CC2 ZINC000627537375 371690131 /nfs/dbraw/zinc/69/01/31/371690131.db2.gz FZQWMMVRWZALCD-ZMLRMANQSA-N 1 2 247.342 1.621 20 0 BDADLO CCC1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627709163 371869741 /nfs/dbraw/zinc/86/97/41/371869741.db2.gz DAVBBNDTBJQHGY-LBPRGKRZSA-N 1 2 247.342 1.622 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)C1CCCC1 ZINC000291993210 181835098 /nfs/dbraw/zinc/83/50/98/181835098.db2.gz LGOFMOHBOOKLFL-FYJFLYSWSA-N 1 2 249.314 1.090 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@]1(O)CCOC1 ZINC000404187180 372070073 /nfs/dbraw/zinc/07/00/73/372070073.db2.gz LKISQICUNBCMIX-GFCCVEGCSA-N 1 2 238.287 1.044 20 0 BDADLO C/C=C\CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000627933535 372143011 /nfs/dbraw/zinc/14/30/11/372143011.db2.gz XCOONWCRRHRPLC-PLNGDYQASA-N 1 2 247.298 1.329 20 0 BDADLO C[C@H]1C(=O)NCCN1c1cc2ccccc2c[nH+]1 ZINC000631149000 372210400 /nfs/dbraw/zinc/21/04/00/372210400.db2.gz HQRZUKGUBAVGBI-JTQLQIEISA-N 1 2 241.294 1.560 20 0 BDADLO Cc1oc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1CO ZINC000631156646 372211379 /nfs/dbraw/zinc/21/13/79/372211379.db2.gz PSMHIXBCIQGSIR-UHFFFAOYSA-N 1 2 249.270 1.076 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2C2CCCCC2)nc(N)[nH+]1 ZINC000631131256 372204882 /nfs/dbraw/zinc/20/48/82/372204882.db2.gz VHPXVYVRXFKKLZ-WDEREUQCSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@H]2C2CCCCC2)[nH+]1 ZINC000631131256 372204886 /nfs/dbraw/zinc/20/48/86/372204886.db2.gz VHPXVYVRXFKKLZ-WDEREUQCSA-N 1 2 247.346 1.973 20 0 BDADLO CCCCc1cc(NC[C@H](C)OC)nc[nH+]1 ZINC000631241214 372255126 /nfs/dbraw/zinc/25/51/26/372255126.db2.gz PFTBJNVDYOXNQD-JTQLQIEISA-N 1 2 223.320 1.688 20 0 BDADLO Cc1cc(N2CC[C@@H]2C(F)(F)F)nc[nH+]1 ZINC000631343317 372303711 /nfs/dbraw/zinc/30/37/11/372303711.db2.gz KEVXYWRUYLLKLI-SSDOTTSWSA-N 1 2 217.194 1.926 20 0 BDADLO CCOC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000631301936 372286594 /nfs/dbraw/zinc/28/65/94/372286594.db2.gz XGPZKZZAGAUFGA-UHFFFAOYSA-N 1 2 237.303 1.082 20 0 BDADLO OC[C@@H]1CN(c2cc3ccccc3c[nH+]2)C[C@H]1O ZINC000631308265 372288291 /nfs/dbraw/zinc/28/82/91/372288291.db2.gz PKSQFXZUSOVHDM-QWHCGFSZSA-N 1 2 244.294 1.024 20 0 BDADLO Cc1cc(NCC(C)(C)n2cccn2)nc[nH+]1 ZINC000631369129 372319986 /nfs/dbraw/zinc/31/99/86/372319986.db2.gz YOEGFNLRIGBREY-UHFFFAOYSA-N 1 2 231.303 1.251 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1ccncc1 ZINC000631413877 372346315 /nfs/dbraw/zinc/34/63/15/372346315.db2.gz LZEMRZNXKYGCDP-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1ccncc1 ZINC000631413877 372346319 /nfs/dbraw/zinc/34/63/19/372346319.db2.gz LZEMRZNXKYGCDP-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO Cc1cc(N[C@@H]2CCCn3nccc32)nc[nH+]1 ZINC000631593669 372446155 /nfs/dbraw/zinc/44/61/55/372446155.db2.gz NMMVGEGOPWAVED-SNVBAGLBSA-N 1 2 229.287 1.929 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)N1CCn2c[nH+]cc2C1 ZINC000290979808 182014657 /nfs/dbraw/zinc/01/46/57/182014657.db2.gz VHTNAVVWKTYLCW-GFCCVEGCSA-N 1 2 245.326 1.972 20 0 BDADLO CC[C@@H](NC(=O)CCCCO)c1[nH]cc[nH+]1 ZINC000141867916 373055748 /nfs/dbraw/zinc/05/57/48/373055748.db2.gz CARNBRAFCNVJKU-SECBINFHSA-N 1 2 225.292 1.140 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCC1 ZINC000298301775 182058528 /nfs/dbraw/zinc/05/85/28/182058528.db2.gz OOMZDQHIWFUYOE-UHFFFAOYSA-N 1 2 215.256 1.109 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1CC(C(F)(F)F)C1 ZINC000360599697 182070604 /nfs/dbraw/zinc/07/06/04/182070604.db2.gz UHGVUNUSOKGPPI-UHFFFAOYSA-N 1 2 247.220 1.340 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000172859143 373097575 /nfs/dbraw/zinc/09/75/75/373097575.db2.gz KYGGDPSYQRMTQF-BDAKNGLRSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000172859143 373097583 /nfs/dbraw/zinc/09/75/83/373097583.db2.gz KYGGDPSYQRMTQF-BDAKNGLRSA-N 1 2 209.293 1.998 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCSC1 ZINC000291525665 182071078 /nfs/dbraw/zinc/07/10/78/182071078.db2.gz SDBGISQXWFYIGY-SNVBAGLBSA-N 1 2 239.344 1.143 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc(O)c1 ZINC000098083331 182071786 /nfs/dbraw/zinc/07/17/86/182071786.db2.gz UNDHSYDBQKGUKS-UHFFFAOYSA-N 1 2 217.228 1.227 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000633141226 373306156 /nfs/dbraw/zinc/30/61/56/373306156.db2.gz JTJVIMFUXYIRPP-VIFPVBQESA-N 1 2 236.319 1.740 20 0 BDADLO O=C(NC1CC1)c1ccc2[nH+]ccn2c1 ZINC000068510857 182099526 /nfs/dbraw/zinc/09/95/26/182099526.db2.gz VFIISQLEPJGCFA-UHFFFAOYSA-N 1 2 201.229 1.227 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633236693 373387692 /nfs/dbraw/zinc/38/76/92/373387692.db2.gz RGTWAMGNOFYGIP-DTWKUNHWSA-N 1 2 222.292 1.350 20 0 BDADLO CC(C)(NC(=O)CC1CSC1)c1[nH]cc[nH+]1 ZINC000633323237 373476678 /nfs/dbraw/zinc/47/66/78/373476678.db2.gz KHJMYBCKKNFEAS-UHFFFAOYSA-N 1 2 239.344 1.514 20 0 BDADLO Cc1nocc1CNC(=O)CCCn1cc[nH+]c1 ZINC000633276108 373435205 /nfs/dbraw/zinc/43/52/05/373435205.db2.gz VCHPVMPBEMTHGE-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO CCOCC[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000180970143 205663430 /nfs/dbraw/zinc/66/34/30/205663430.db2.gz JMSRHSRHXRDFJI-LLVKDONJSA-N 1 2 231.336 1.590 20 0 BDADLO CC(C)(F)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000633721512 373711672 /nfs/dbraw/zinc/71/16/72/373711672.db2.gz JEHWXJYFYLAAIH-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)F ZINC000633721683 373712083 /nfs/dbraw/zinc/71/20/83/373712083.db2.gz KBKRRUWSRUPOMZ-UHFFFAOYSA-N 1 2 213.256 1.125 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC(C)(C)F ZINC000633721683 373712092 /nfs/dbraw/zinc/71/20/92/373712092.db2.gz KBKRRUWSRUPOMZ-UHFFFAOYSA-N 1 2 213.256 1.125 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)NC1CC1 ZINC000042933127 182168846 /nfs/dbraw/zinc/16/88/46/182168846.db2.gz KZRPRMPILQVGFE-UHFFFAOYSA-N 1 2 234.303 1.345 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C(F)(F)F ZINC000265613843 182169726 /nfs/dbraw/zinc/16/97/26/182169726.db2.gz OYFODPMRCIAIDH-UHFFFAOYSA-N 1 2 247.220 1.562 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1[C@@H]2CCC[C@H]12 ZINC000177603137 182176645 /nfs/dbraw/zinc/17/66/45/182176645.db2.gz KTPZYKYNTOVKSH-FOSCPWQOSA-N 1 2 233.315 1.436 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(CCF)CC1 ZINC000289443931 182215427 /nfs/dbraw/zinc/21/54/27/182215427.db2.gz FIARWXVWKIIVIK-UHFFFAOYSA-N 1 2 225.267 1.139 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000130697201 182214648 /nfs/dbraw/zinc/21/46/48/182214648.db2.gz XXDBWPCSJNYYOF-RYUDHWBXSA-N 1 2 248.330 1.325 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC2CCC1CC2 ZINC000367478533 182215194 /nfs/dbraw/zinc/21/51/94/182215194.db2.gz IOSYWUHYDUUSPA-UHFFFAOYSA-N 1 2 248.330 1.467 20 0 BDADLO O=C(NCCn1cc[nH+]c1)OC1CCCC1 ZINC000289088225 182215593 /nfs/dbraw/zinc/21/55/93/182215593.db2.gz IDAFTYWANVQSGW-UHFFFAOYSA-N 1 2 223.276 1.552 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1CC=CC1 ZINC000128719418 182211855 /nfs/dbraw/zinc/21/18/55/182211855.db2.gz DCJUWGVIELACPJ-UHFFFAOYSA-N 1 2 205.261 1.035 20 0 BDADLO O=C(NC[C@H]1CCCO1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000365389395 182239246 /nfs/dbraw/zinc/23/92/46/182239246.db2.gz XVCKFJOXWOXAML-ZJUUUORDSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(NC[C@H]1CCCO1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000365389395 182239249 /nfs/dbraw/zinc/23/92/49/182239249.db2.gz XVCKFJOXWOXAML-ZJUUUORDSA-N 1 2 249.314 1.125 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH+]1CCC(=O)CC1 ZINC000143163636 374140430 /nfs/dbraw/zinc/14/04/30/374140430.db2.gz YWEZPWKOJVDFRJ-ZETCQYMHSA-N 1 2 209.211 1.992 20 0 BDADLO CCOC(=O)CCNc1cc(CC)[nH+]cn1 ZINC000041676477 374173215 /nfs/dbraw/zinc/17/32/15/374173215.db2.gz VGEMZXNPCNCTNX-UHFFFAOYSA-N 1 2 223.276 1.404 20 0 BDADLO CC1(F)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000634360213 374199951 /nfs/dbraw/zinc/19/99/51/374199951.db2.gz DQHMEOYQGVYMJT-UHFFFAOYSA-N 1 2 239.294 1.693 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC1CCC1 ZINC000634370034 374219357 /nfs/dbraw/zinc/21/93/57/374219357.db2.gz NWHDZEQFOCBZLS-SECBINFHSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)CC1CCC1 ZINC000634370034 374219358 /nfs/dbraw/zinc/21/93/58/374219358.db2.gz NWHDZEQFOCBZLS-SECBINFHSA-N 1 2 235.331 1.956 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1Cc2ccccc2C1 ZINC000236404266 182273366 /nfs/dbraw/zinc/27/33/66/182273366.db2.gz JUZQOVAXZOKKTO-UHFFFAOYSA-N 1 2 241.294 1.441 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(F)F ZINC000194803353 182302408 /nfs/dbraw/zinc/30/24/08/182302408.db2.gz KXLAEYQQNSCCCK-MRVPVSSYSA-N 1 2 241.241 1.042 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000169798069 182315338 /nfs/dbraw/zinc/31/53/38/182315338.db2.gz SOGCSAIYDKFPEH-GFCCVEGCSA-N 1 2 241.294 1.628 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@H](F)C2)c[nH]1 ZINC000449391766 206096263 /nfs/dbraw/zinc/09/62/63/206096263.db2.gz ZHEQPPSZLYISHW-VIFPVBQESA-N 1 2 226.251 1.345 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@H](F)C2)c[nH]1 ZINC000449391766 206096267 /nfs/dbraw/zinc/09/62/67/206096267.db2.gz ZHEQPPSZLYISHW-VIFPVBQESA-N 1 2 226.251 1.345 20 0 BDADLO COCCOC1C[NH+](C/C=C\c2ccncc2)C1 ZINC000459461868 206127507 /nfs/dbraw/zinc/12/75/07/206127507.db2.gz KJKOWLONYLEOKK-IHWYPQMZSA-N 1 2 248.326 1.442 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccoc1 ZINC000336331304 182342493 /nfs/dbraw/zinc/34/24/93/182342493.db2.gz QVDWQCJODJVVOT-VIFPVBQESA-N 1 2 231.255 1.290 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccoc1 ZINC000336331304 182342496 /nfs/dbraw/zinc/34/24/96/182342496.db2.gz QVDWQCJODJVVOT-VIFPVBQESA-N 1 2 231.255 1.290 20 0 BDADLO CC[C@@](COC)([NH2+][C@@H]1C=CCCC1)C(=O)OC ZINC000459580545 206135591 /nfs/dbraw/zinc/13/55/91/206135591.db2.gz BEOAHVKFYNFJCW-YPMHNXCESA-N 1 2 241.331 1.653 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCCCO1 ZINC000269407314 182374522 /nfs/dbraw/zinc/37/45/22/182374522.db2.gz NUUGDUHPHAMFTK-SNVBAGLBSA-N 1 2 245.282 1.842 20 0 BDADLO O=C(Nc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000336394391 182375487 /nfs/dbraw/zinc/37/54/87/182375487.db2.gz FGBDMHUEMFUIJR-UHFFFAOYSA-N 1 2 242.282 1.931 20 0 BDADLO O=C(Nc1ccsc1)[C@H]1CSC[NH2+]1 ZINC000085535100 182389988 /nfs/dbraw/zinc/38/99/88/182389988.db2.gz UCTMPQCPZSWYRL-SSDOTTSWSA-N 1 2 214.315 1.349 20 0 BDADLO O=C(Nc1cccnc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363077226 182383816 /nfs/dbraw/zinc/38/38/16/182383816.db2.gz KGSJXMDRHSPKNC-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCOC1 ZINC000280866286 182385589 /nfs/dbraw/zinc/38/55/89/182385589.db2.gz XXEAEWHTCCQFSR-SNVBAGLBSA-N 1 2 245.282 1.699 20 0 BDADLO O=C(Nc1cncnc1)c1ccc2[nH+]ccn2c1 ZINC000341347095 182394746 /nfs/dbraw/zinc/39/47/46/182394746.db2.gz MVYFXCSGUZRDQV-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO OC1(C[NH2+]Cc2ccn[nH]2)CCCCC1 ZINC000066991687 183019800 /nfs/dbraw/zinc/01/98/00/183019800.db2.gz NPAROEAEOBPTQM-UHFFFAOYSA-N 1 2 209.293 1.195 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(C2CC2)n1 ZINC000171985665 183032203 /nfs/dbraw/zinc/03/22/03/183032203.db2.gz YJCXHYNHMPXDOY-FOSCPWQOSA-N 1 2 245.326 1.846 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1ccc(F)cc1 ZINC000183889039 183033382 /nfs/dbraw/zinc/03/33/82/183033382.db2.gz PURISYMNPLZKHS-UHFFFAOYSA-N 1 2 219.206 1.543 20 0 BDADLO OCC(F)(F)CNc1cc[nH+]c2ccncc12 ZINC000274272065 183034749 /nfs/dbraw/zinc/03/47/49/183034749.db2.gz QXRFJEVTPKMCRE-UHFFFAOYSA-N 1 2 239.225 1.669 20 0 BDADLO OCC(F)(F)CNCc1cccc2[nH+]ccn21 ZINC000183892881 183035915 /nfs/dbraw/zinc/03/59/15/183035915.db2.gz YUVHWTNWYHTRCJ-UHFFFAOYSA-N 1 2 241.241 1.052 20 0 BDADLO OCC[N@H+](CCCc1ccncc1)CC(F)F ZINC000361351563 183065719 /nfs/dbraw/zinc/06/57/19/183065719.db2.gz LTBYTQWPKCKXQL-UHFFFAOYSA-N 1 2 244.285 1.574 20 0 BDADLO OCC[N@@H+](CCCc1ccncc1)CC(F)F ZINC000361351563 183065720 /nfs/dbraw/zinc/06/57/20/183065720.db2.gz LTBYTQWPKCKXQL-UHFFFAOYSA-N 1 2 244.285 1.574 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000184512395 183091359 /nfs/dbraw/zinc/09/13/59/183091359.db2.gz CSRQMKOSDRVWCZ-SNVBAGLBSA-N 1 2 221.260 1.216 20 0 BDADLO OCC[C@H]([NH2+]Cc1nccs1)c1ccco1 ZINC000184500574 183097188 /nfs/dbraw/zinc/09/71/88/183097188.db2.gz VIGGNODCYIIPTL-VIFPVBQESA-N 1 2 238.312 1.949 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000050682677 183118923 /nfs/dbraw/zinc/11/89/23/183118923.db2.gz DJQNKROCFKYZCK-SECBINFHSA-N 1 2 245.273 1.483 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000050682677 183118926 /nfs/dbraw/zinc/11/89/26/183118926.db2.gz DJQNKROCFKYZCK-SECBINFHSA-N 1 2 245.273 1.483 20 0 BDADLO OCC[C@H]1CSCC[N@@H+]1Cc1nccs1 ZINC000355086271 183098524 /nfs/dbraw/zinc/09/85/24/183098524.db2.gz JSFVBRFPVKJYKN-VIFPVBQESA-N 1 2 244.385 1.443 20 0 BDADLO OCC[C@H]1CSCC[N@H+]1Cc1nccs1 ZINC000355086271 183098527 /nfs/dbraw/zinc/09/85/27/183098527.db2.gz JSFVBRFPVKJYKN-VIFPVBQESA-N 1 2 244.385 1.443 20 0 BDADLO OC[C@@H](CC(F)(F)F)[NH2+]Cc1cocn1 ZINC000336733395 183103054 /nfs/dbraw/zinc/10/30/54/183103054.db2.gz MHUSFMPRMBGNPL-ZCFIWIBFSA-N 1 2 224.182 1.078 20 0 BDADLO OC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000062999987 183108626 /nfs/dbraw/zinc/10/86/26/183108626.db2.gz CSTSQWIJXACGAI-LLVKDONJSA-N 1 2 235.312 1.361 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000287001343 183133889 /nfs/dbraw/zinc/13/38/89/183133889.db2.gz QYAOXVPMXBQTLD-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000287001343 183133892 /nfs/dbraw/zinc/13/38/92/183133892.db2.gz QYAOXVPMXBQTLD-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2ccncc2)C1 ZINC000287013958 183134115 /nfs/dbraw/zinc/13/41/15/183134115.db2.gz RPPKOTJYFDAMOJ-GFCCVEGCSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccncc2)C1 ZINC000287013958 183134116 /nfs/dbraw/zinc/13/41/16/183134116.db2.gz RPPKOTJYFDAMOJ-GFCCVEGCSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@H]([NH2+]Cc1cocn1)c1ccc(F)cc1 ZINC000277001150 183141483 /nfs/dbraw/zinc/14/14/83/183141483.db2.gz JYUVPJQMEHAANF-LBPRGKRZSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000062999988 183141776 /nfs/dbraw/zinc/14/17/76/183141776.db2.gz CSTSQWIJXACGAI-NSHDSACASA-N 1 2 235.312 1.361 20 0 BDADLO OC[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000296190735 183126243 /nfs/dbraw/zinc/12/62/43/183126243.db2.gz DPJDXKHCPCODLJ-KOLCDFICSA-N 1 2 233.315 1.927 20 0 BDADLO OC[C@@H]1C[N@H+](CCc2ccccc2F)CCO1 ZINC000137600216 183126736 /nfs/dbraw/zinc/12/67/36/183126736.db2.gz XYLMSLVELGITBT-LBPRGKRZSA-N 1 2 239.290 1.061 20 0 BDADLO OC[C@@H]1C[N@@H+](CCc2ccccc2F)CCO1 ZINC000137600216 183126737 /nfs/dbraw/zinc/12/67/37/183126737.db2.gz XYLMSLVELGITBT-LBPRGKRZSA-N 1 2 239.290 1.061 20 0 BDADLO CCCC[S@@](=O)Cc1c[nH+]cn1C ZINC000268192510 169016691 /nfs/dbraw/zinc/01/66/91/169016691.db2.gz WLTJJWOOJZZUHQ-CYBMUJFWSA-N 1 2 200.307 1.469 20 0 BDADLO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000367627597 183146184 /nfs/dbraw/zinc/14/61/84/183146184.db2.gz UNVISNAJAPIOPW-HOSYDEDBSA-N 1 2 233.315 1.314 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000365292138 183146876 /nfs/dbraw/zinc/14/68/76/183146876.db2.gz JSDIHROXHNYCLV-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC[C@@H]1CCCO1 ZINC000365292138 183146880 /nfs/dbraw/zinc/14/68/80/183146880.db2.gz JSDIHROXHNYCLV-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000050114249 183152703 /nfs/dbraw/zinc/15/27/03/183152703.db2.gz NUBNCGHFFNDSMI-MRVPVSSYSA-N 1 2 231.246 1.235 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000050114249 183152706 /nfs/dbraw/zinc/15/27/06/183152706.db2.gz NUBNCGHFFNDSMI-MRVPVSSYSA-N 1 2 231.246 1.235 20 0 BDADLO OC[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000131724116 183153433 /nfs/dbraw/zinc/15/34/33/183153433.db2.gz OZAHJVNIJGMUTP-VIFPVBQESA-N 1 2 219.288 1.173 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000015019597 183155503 /nfs/dbraw/zinc/15/55/03/183155503.db2.gz CLKKWAVSCFMWRY-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000015019597 183155504 /nfs/dbraw/zinc/15/55/04/183155504.db2.gz CLKKWAVSCFMWRY-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000287088682 183158095 /nfs/dbraw/zinc/15/80/95/183158095.db2.gz VUGZVXKIICKQKX-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000287088682 183158097 /nfs/dbraw/zinc/15/80/97/183158097.db2.gz VUGZVXKIICKQKX-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cocn1 ZINC000191943781 183158199 /nfs/dbraw/zinc/15/81/99/183158199.db2.gz SUNIYPRZKIDSBN-AWEZNQCLSA-N 1 2 244.294 1.766 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cocn1 ZINC000191943781 183158201 /nfs/dbraw/zinc/15/82/01/183158201.db2.gz SUNIYPRZKIDSBN-AWEZNQCLSA-N 1 2 244.294 1.766 20 0 BDADLO OCc1ccc(NCc2csnn2)[nH+]c1 ZINC000308931850 183165809 /nfs/dbraw/zinc/16/58/09/183165809.db2.gz MKPGYUCRJUUQHM-UHFFFAOYSA-N 1 2 222.273 1.038 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000270491099 183200187 /nfs/dbraw/zinc/20/01/87/183200187.db2.gz GLJYSKKCXHBORW-SECBINFHSA-N 1 2 208.261 1.119 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000270491099 183200190 /nfs/dbraw/zinc/20/01/90/183200190.db2.gz GLJYSKKCXHBORW-SECBINFHSA-N 1 2 208.261 1.119 20 0 BDADLO O[C@@H]1C[NH+](Cc2cccc(Cl)c2F)C[C@H]1O ZINC000236530178 183206748 /nfs/dbraw/zinc/20/67/48/183206748.db2.gz HIDXJDHRNBNPDY-NXEZZACHSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)CC1 ZINC000331552605 183193630 /nfs/dbraw/zinc/19/36/30/183193630.db2.gz BNNRZLPDXLKIOM-SSDOTTSWSA-N 1 2 247.245 1.354 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)CC1 ZINC000331552605 183193631 /nfs/dbraw/zinc/19/36/31/183193631.db2.gz BNNRZLPDXLKIOM-SSDOTTSWSA-N 1 2 247.245 1.354 20 0 BDADLO CCC[N@H+](C)[C@@H](C(=O)OC)c1cccnc1 ZINC000157134923 169085666 /nfs/dbraw/zinc/08/56/66/169085666.db2.gz QEBSWWMPHGPGPK-LLVKDONJSA-N 1 2 222.288 1.638 20 0 BDADLO CCC[N@@H+](C)[C@@H](C(=O)OC)c1cccnc1 ZINC000157134923 169085668 /nfs/dbraw/zinc/08/56/68/169085668.db2.gz QEBSWWMPHGPGPK-LLVKDONJSA-N 1 2 222.288 1.638 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1c[nH]nc1C ZINC000092380571 169101848 /nfs/dbraw/zinc/10/18/48/169101848.db2.gz ZBCSFLIMWONHLT-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1c[nH]nc1C ZINC000092380571 169101851 /nfs/dbraw/zinc/10/18/51/169101851.db2.gz ZBCSFLIMWONHLT-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO O[C@@H]1COC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000296142047 183211416 /nfs/dbraw/zinc/21/14/16/183211416.db2.gz XGQOBSRGZQFRTO-HTQZYQBOSA-N 1 2 248.204 1.272 20 0 BDADLO O[C@@H]1c2ccccc2OC[C@H]1Nc1cccc[nH+]1 ZINC000377179391 183214623 /nfs/dbraw/zinc/21/46/23/183214623.db2.gz NKVHZNMLCIYQNH-BXUZGUMPSA-N 1 2 242.278 1.988 20 0 BDADLO O[C@H]1C[NH+](Cc2ccc(F)cc2Cl)C[C@@H]1O ZINC000236593283 183244149 /nfs/dbraw/zinc/24/41/49/183244149.db2.gz ISKPAUPRZDUBJJ-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)n1 ZINC000376495958 183325901 /nfs/dbraw/zinc/32/59/01/183325901.db2.gz SRJFKCJEMQAGBK-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)n1 ZINC000376495958 183325902 /nfs/dbraw/zinc/32/59/02/183325902.db2.gz SRJFKCJEMQAGBK-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCCCF)C2)[nH]1 ZINC000377603397 183307628 /nfs/dbraw/zinc/30/76/28/183307628.db2.gz FIRQEDMSHYEUNO-VIFPVBQESA-N 1 2 242.298 1.439 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCCCF)C2)[nH]1 ZINC000377603397 183307631 /nfs/dbraw/zinc/30/76/31/183307631.db2.gz FIRQEDMSHYEUNO-VIFPVBQESA-N 1 2 242.298 1.439 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1nccs1)CC2 ZINC000276900694 183309670 /nfs/dbraw/zinc/30/96/70/183309670.db2.gz HRCMBUNVKCNNMY-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1nccs1)CC2 ZINC000276900694 183309673 /nfs/dbraw/zinc/30/96/73/183309673.db2.gz HRCMBUNVKCNNMY-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)on1 ZINC000265176066 183347070 /nfs/dbraw/zinc/34/70/70/183347070.db2.gz ZIYGJSMSIIJMSW-MNOVXSKESA-N 1 2 208.261 1.428 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)on1 ZINC000265176066 183347072 /nfs/dbraw/zinc/34/70/72/183347072.db2.gz ZIYGJSMSIIJMSW-MNOVXSKESA-N 1 2 208.261 1.428 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)on1 ZINC000365995112 183347545 /nfs/dbraw/zinc/34/75/45/183347545.db2.gz DJJMGGRYWFAVQK-NEPJUHHUSA-N 1 2 238.287 1.054 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)on1 ZINC000365995112 183347547 /nfs/dbraw/zinc/34/75/47/183347547.db2.gz DJJMGGRYWFAVQK-NEPJUHHUSA-N 1 2 238.287 1.054 20 0 BDADLO c1nc(C[NH2+]Cc2cccc3c2OCO3)co1 ZINC000236618229 183351843 /nfs/dbraw/zinc/35/18/43/183351843.db2.gz PIEPSUDYPFVETR-UHFFFAOYSA-N 1 2 232.239 1.693 20 0 BDADLO CCCNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127767986 169219513 /nfs/dbraw/zinc/21/95/13/169219513.db2.gz UXOJJDHTEKYRRI-NSHDSACASA-N 1 2 235.331 1.601 20 0 BDADLO CCCNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127767986 169219515 /nfs/dbraw/zinc/21/95/15/169219515.db2.gz UXOJJDHTEKYRRI-NSHDSACASA-N 1 2 235.331 1.601 20 0 BDADLO c1cn(-c2cccc(NC[C@@H]3CCCO3)n2)c[nH+]1 ZINC000363815797 183334589 /nfs/dbraw/zinc/33/45/89/183334589.db2.gz GMJBALSPUZKCOJ-NSHDSACASA-N 1 2 244.298 1.280 20 0 BDADLO CCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336377508 169235520 /nfs/dbraw/zinc/23/55/20/169235520.db2.gz LOVGFEJITJXZJS-JTQLQIEISA-N 1 2 236.319 1.329 20 0 BDADLO CCc1nnc(C[N@H+](C)CC[C@@H](C)O)s1 ZINC000680053857 487528284 /nfs/dbraw/zinc/52/82/84/487528284.db2.gz AALPMHLHJAECQO-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC[C@@H](C)O)s1 ZINC000680053857 487528285 /nfs/dbraw/zinc/52/82/85/487528285.db2.gz AALPMHLHJAECQO-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO c1cc2[nH+]ccc(N[C@@H]3CCOC3)c2cn1 ZINC000309622632 183377174 /nfs/dbraw/zinc/37/71/74/183377174.db2.gz PIYIYLQFCSVDCO-SECBINFHSA-N 1 2 215.256 1.831 20 0 BDADLO c1cc([C@@H]2CCCC[N@H+]2CC2OCCO2)n[nH]1 ZINC000285500388 183360425 /nfs/dbraw/zinc/36/04/25/183360425.db2.gz XOHHGJWXYVFVPJ-NSHDSACASA-N 1 2 237.303 1.310 20 0 BDADLO c1cc([C@@H]2CCCC[N@@H+]2CC2OCCO2)n[nH]1 ZINC000285500388 183360426 /nfs/dbraw/zinc/36/04/26/183360426.db2.gz XOHHGJWXYVFVPJ-NSHDSACASA-N 1 2 237.303 1.310 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2CCc2ccccn2)no1 ZINC000363636680 183390937 /nfs/dbraw/zinc/39/09/37/183390937.db2.gz DVTDQZNTECGJJI-LBPRGKRZSA-N 1 2 244.298 1.844 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2CCc2ccccn2)no1 ZINC000363636680 183390940 /nfs/dbraw/zinc/39/09/40/183390940.db2.gz DVTDQZNTECGJJI-LBPRGKRZSA-N 1 2 244.298 1.844 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000373064645 169299279 /nfs/dbraw/zinc/29/92/79/169299279.db2.gz AWKHPEZTAKKQFI-WCQGTBRESA-N 1 2 241.331 1.485 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000373064643 169299902 /nfs/dbraw/zinc/29/99/02/169299902.db2.gz AWKHPEZTAKKQFI-DLOVCJGASA-N 1 2 241.331 1.485 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCCOCC1 ZINC000369621865 169300196 /nfs/dbraw/zinc/30/01/96/169300196.db2.gz MCXXLLMKQQYHPD-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCCOCC1 ZINC000369621865 169300198 /nfs/dbraw/zinc/30/01/98/169300198.db2.gz MCXXLLMKQQYHPD-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCC[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000330555108 169349290 /nfs/dbraw/zinc/34/92/90/169349290.db2.gz OXCMPAOKJOOOAS-MRVPVSSYSA-N 1 2 208.261 1.584 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000356277898 169386100 /nfs/dbraw/zinc/38/61/00/169386100.db2.gz IUPMYRPPGCBKHK-WDEREUQCSA-N 1 2 229.320 1.343 20 0 BDADLO CCC[C@@H]([NH2+]C1CC(OCC)C1)C(=O)OC ZINC000336731074 169399873 /nfs/dbraw/zinc/39/98/73/169399873.db2.gz ISMPUDMFZRSWOE-VQXHTEKXSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000225427656 134353306 /nfs/dbraw/zinc/35/33/06/134353306.db2.gz JOPWGFVKAPIBQH-XLPZGREQSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000225427656 134353307 /nfs/dbraw/zinc/35/33/07/134353307.db2.gz JOPWGFVKAPIBQH-XLPZGREQSA-N 1 2 227.226 1.019 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000225431661 134353439 /nfs/dbraw/zinc/35/34/39/134353439.db2.gz PMNDGURJNCLNSV-DJLDLDEBSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000225431661 134353440 /nfs/dbraw/zinc/35/34/40/134353440.db2.gz PMNDGURJNCLNSV-DJLDLDEBSA-N 1 2 239.237 1.163 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCN(C)C2=O)cs1 ZINC000227225339 134376548 /nfs/dbraw/zinc/37/65/48/134376548.db2.gz UZQULDYVTJEYPT-CBAPKCEASA-N 1 2 239.344 1.333 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000227400605 134381141 /nfs/dbraw/zinc/38/11/41/134381141.db2.gz XJYFQDZAQWYRAC-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000227400605 134381142 /nfs/dbraw/zinc/38/11/42/134381142.db2.gz XJYFQDZAQWYRAC-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000111193100 383839663 /nfs/dbraw/zinc/83/96/63/383839663.db2.gz LCJYYUUOTHWRBY-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CCC(CC)[C@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000111404131 383862620 /nfs/dbraw/zinc/86/26/20/383862620.db2.gz XIPKADMYNJQHNI-GFCCVEGCSA-N 1 2 225.336 1.605 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000449493833 383868165 /nfs/dbraw/zinc/86/81/65/383868165.db2.gz MHIILLWNHFMQGG-MFKMUULPSA-N 1 2 237.347 1.965 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000449493833 383868171 /nfs/dbraw/zinc/86/81/71/383868171.db2.gz MHIILLWNHFMQGG-MFKMUULPSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(NC(=O)NCCC2CC(O)C2)cc[nH+]1 ZINC000518469770 383926120 /nfs/dbraw/zinc/92/61/20/383926120.db2.gz HXCVKOTUILXOEK-UHFFFAOYSA-N 1 2 249.314 1.094 20 0 BDADLO CN(C[C@@H]1CCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000112555270 383930288 /nfs/dbraw/zinc/93/02/88/383930288.db2.gz VDSGRNJZTDUDLL-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1=COCCC1 ZINC000068320099 383983824 /nfs/dbraw/zinc/98/38/24/383983824.db2.gz PIZHSCQYRMXBIQ-UHFFFAOYSA-N 1 2 247.298 1.780 20 0 BDADLO CC(C)(C)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000558404140 383989385 /nfs/dbraw/zinc/98/93/85/383989385.db2.gz FYWPCZQOPBXJDO-UHFFFAOYSA-N 1 2 223.320 1.824 20 0 BDADLO c1csc([C@H]([NH2+]C2CC2)c2nnc[nH]2)c1 ZINC000293855470 383960897 /nfs/dbraw/zinc/96/08/97/383960897.db2.gz UJIFAGFWFUNMAI-VIFPVBQESA-N 1 2 220.301 1.708 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000531113227 383963087 /nfs/dbraw/zinc/96/30/87/383963087.db2.gz GONDPRIOCDNDNP-VIFPVBQESA-N 1 2 219.288 1.313 20 0 BDADLO Cc1csc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000293764195 384019481 /nfs/dbraw/zinc/01/94/81/384019481.db2.gz UPLFBHAIHABXMC-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000569428257 384020865 /nfs/dbraw/zinc/02/08/65/384020865.db2.gz WARSIOFSHYMKRO-RWMBFGLXSA-N 1 2 247.342 1.968 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)O1 ZINC000335855678 384025370 /nfs/dbraw/zinc/02/53/70/384025370.db2.gz QYOLYBAFQNDXKU-JTQLQIEISA-N 1 2 249.314 1.183 20 0 BDADLO O=C(NCCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000291163646 384049217 /nfs/dbraw/zinc/04/92/17/384049217.db2.gz YPIUICRACOTQCX-UHFFFAOYSA-N 1 2 234.303 1.208 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000077111535 384052510 /nfs/dbraw/zinc/05/25/10/384052510.db2.gz YRRSARNJYYNHQJ-SSDOTTSWSA-N 1 2 225.210 1.576 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC000077111535 384052518 /nfs/dbraw/zinc/05/25/18/384052518.db2.gz YRRSARNJYYNHQJ-SSDOTTSWSA-N 1 2 225.210 1.576 20 0 BDADLO CCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000296296861 384029025 /nfs/dbraw/zinc/02/90/25/384029025.db2.gz MJTXRTNBEUVGMN-UHFFFAOYSA-N 1 2 217.276 1.718 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](O)C1 ZINC000074325185 384031206 /nfs/dbraw/zinc/03/12/06/384031206.db2.gz FYBTZBLDQRPEQC-VXNVDRBHSA-N 1 2 223.276 1.075 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](O)C1 ZINC000074325185 384031213 /nfs/dbraw/zinc/03/12/13/384031213.db2.gz FYBTZBLDQRPEQC-VXNVDRBHSA-N 1 2 223.276 1.075 20 0 BDADLO CCCCCOCC(=O)NCc1[nH]cc[nH+]1 ZINC000114336981 384032610 /nfs/dbraw/zinc/03/26/10/384032610.db2.gz HENNRSQAZQCPJM-UHFFFAOYSA-N 1 2 225.292 1.233 20 0 BDADLO FCC(CF)[NH2+]Cc1cccc2c1OCO2 ZINC000449372168 384038926 /nfs/dbraw/zinc/03/89/26/384038926.db2.gz DEYQSHPVGHAKFM-UHFFFAOYSA-N 1 2 229.226 1.813 20 0 BDADLO CCOC[C@H](O)Cn1c(CC)[nH+]c2ccccc21 ZINC000069277871 384038984 /nfs/dbraw/zinc/03/89/84/384038984.db2.gz WAOQXRZQGABUSY-LLVKDONJSA-N 1 2 248.326 1.996 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090969606 384086854 /nfs/dbraw/zinc/08/68/54/384086854.db2.gz DKIHIORCXKGZLQ-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO CC1(C)C(C(=O)N2CCn3cc[nH+]c3C2)C1(C)C ZINC000336524814 384056127 /nfs/dbraw/zinc/05/61/27/384056127.db2.gz FSOHPLLONLIUAL-UHFFFAOYSA-N 1 2 247.342 1.908 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cccnc1 ZINC000069794803 384064055 /nfs/dbraw/zinc/06/40/55/384064055.db2.gz PBJOMPSEINVDKO-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO CC[C@@H](C[N@@H+]1CCO[C@@H](C(F)(F)F)C1)OC ZINC000642687540 384069962 /nfs/dbraw/zinc/06/99/62/384069962.db2.gz UXFVGTSQGRZNJB-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@@H](C[N@H+]1CCO[C@@H](C(F)(F)F)C1)OC ZINC000642687540 384069971 /nfs/dbraw/zinc/06/99/71/384069971.db2.gz UXFVGTSQGRZNJB-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000049956527 384071388 /nfs/dbraw/zinc/07/13/88/384071388.db2.gz WZDDTEWZLAYBFZ-QMMMGPOBSA-N 1 2 213.302 1.741 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC000049956527 384071391 /nfs/dbraw/zinc/07/13/91/384071391.db2.gz WZDDTEWZLAYBFZ-QMMMGPOBSA-N 1 2 213.302 1.741 20 0 BDADLO C[C@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000078591955 384075993 /nfs/dbraw/zinc/07/59/93/384075993.db2.gz AMWDHNYLBXKFOR-LURJTMIESA-N 1 2 220.194 1.893 20 0 BDADLO Cc1nc(C[N@H+](CCO)C2CC2)cs1 ZINC000050103908 384109393 /nfs/dbraw/zinc/10/93/93/384109393.db2.gz PSMVOKLEPMYFGA-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1nc(C[N@@H+](CCO)C2CC2)cs1 ZINC000050103908 384109398 /nfs/dbraw/zinc/10/93/98/384109398.db2.gz PSMVOKLEPMYFGA-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1[nH]cc[nH+]1 ZINC000221210389 384119952 /nfs/dbraw/zinc/11/99/52/384119952.db2.gz SVFVQWSQCCDEDM-KXUCPTDWSA-N 1 2 237.303 1.545 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](O)CC1 ZINC000293921990 384127404 /nfs/dbraw/zinc/12/74/04/384127404.db2.gz DTSIVHRMIVDZQY-LLVKDONJSA-N 1 2 245.326 1.925 20 0 BDADLO CC[N@H+](CCOCCO)Cc1nc(C)c(C)o1 ZINC000310315895 384130333 /nfs/dbraw/zinc/13/03/33/384130333.db2.gz WTPDFHNTXFUSIY-UHFFFAOYSA-N 1 2 242.319 1.122 20 0 BDADLO CC[N@@H+](CCOCCO)Cc1nc(C)c(C)o1 ZINC000310315895 384130339 /nfs/dbraw/zinc/13/03/39/384130339.db2.gz WTPDFHNTXFUSIY-UHFFFAOYSA-N 1 2 242.319 1.122 20 0 BDADLO c1ncc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)[nH]1 ZINC000091856027 384150160 /nfs/dbraw/zinc/15/01/60/384150160.db2.gz WWZWXCTVDRPSEA-WDEREUQCSA-N 1 2 239.344 1.116 20 0 BDADLO c1ncc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)[nH]1 ZINC000091856027 384150167 /nfs/dbraw/zinc/15/01/67/384150167.db2.gz WWZWXCTVDRPSEA-WDEREUQCSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1noc(C2CC[NH+](Cc3cc[nH]n3)CC2)n1 ZINC000091837350 384151454 /nfs/dbraw/zinc/15/14/54/384151454.db2.gz CLNUSGKXKISBJG-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO O=C(C[N@@H+]1CCc2cc(F)ccc2C1)NC1CC1 ZINC000091898801 384155511 /nfs/dbraw/zinc/15/55/11/384155511.db2.gz ZOAOCAHVMDXQPY-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO O=C(C[N@H+]1CCc2cc(F)ccc2C1)NC1CC1 ZINC000091898801 384155515 /nfs/dbraw/zinc/15/55/15/384155515.db2.gz ZOAOCAHVMDXQPY-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccn(C)c2)no1 ZINC000092254266 384172226 /nfs/dbraw/zinc/17/22/26/384172226.db2.gz RNFDGLRGAODJAX-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccn(C)c2)no1 ZINC000092254266 384172230 /nfs/dbraw/zinc/17/22/30/384172230.db2.gz RNFDGLRGAODJAX-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CC(C)N(Cc1c[nH+]c[nH]1)CC(F)F ZINC000092045218 384158708 /nfs/dbraw/zinc/15/87/08/384158708.db2.gz ULXDQDKIIAUHPX-UHFFFAOYSA-N 1 2 203.236 1.885 20 0 BDADLO CC(C)N(Cc1c[nH]c[nH+]1)CC(F)F ZINC000092045218 384158715 /nfs/dbraw/zinc/15/87/15/384158715.db2.gz ULXDQDKIIAUHPX-UHFFFAOYSA-N 1 2 203.236 1.885 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000628117748 384176021 /nfs/dbraw/zinc/17/60/21/384176021.db2.gz TYSJMIYNTLGJBK-NXEZZACHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1nc2ccccc2nc1C[NH+]1CCOCC1 ZINC000061757395 384208411 /nfs/dbraw/zinc/20/84/11/384208411.db2.gz AQZVGDULEKMTJS-UHFFFAOYSA-N 1 2 243.310 1.770 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)o1 ZINC000093049888 384207078 /nfs/dbraw/zinc/20/70/78/384207078.db2.gz IQDFTOIZQTYFBO-NSHDSACASA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)o1 ZINC000093049888 384207080 /nfs/dbraw/zinc/20/70/80/384207080.db2.gz IQDFTOIZQTYFBO-NSHDSACASA-N 1 2 222.288 1.298 20 0 BDADLO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259987 384188646 /nfs/dbraw/zinc/18/86/46/384188646.db2.gz YRAUUEBKVVSWAI-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259987 384188647 /nfs/dbraw/zinc/18/86/47/384188647.db2.gz YRAUUEBKVVSWAI-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H]([NH2+]Cc1cncn1C)c1nccs1 ZINC000082474060 384230607 /nfs/dbraw/zinc/23/06/07/384230607.db2.gz ZXUWBQACHYAPSK-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ncccc1C ZINC000093256589 384223271 /nfs/dbraw/zinc/22/32/71/384223271.db2.gz ZDNWLVHYPDGDLE-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ncccc1C ZINC000093256589 384223279 /nfs/dbraw/zinc/22/32/79/384223279.db2.gz ZDNWLVHYPDGDLE-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)COC(C)(C)C ZINC000158403827 384228782 /nfs/dbraw/zinc/22/87/82/384228782.db2.gz DTTNCNVSSFEPDN-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000093528442 384248213 /nfs/dbraw/zinc/24/82/13/384248213.db2.gz QOCDHWLMTYBVHR-GFCCVEGCSA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000093528442 384248223 /nfs/dbraw/zinc/24/82/23/384248223.db2.gz QOCDHWLMTYBVHR-GFCCVEGCSA-N 1 2 225.288 1.435 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1c1nc(C)[nH+]c(N)n1 ZINC000304397234 384266533 /nfs/dbraw/zinc/26/65/33/384266533.db2.gz AFGRYPOFKMVRCZ-IONNQARKSA-N 1 2 221.308 1.530 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1c1nc(N)nc(C)[nH+]1 ZINC000304397234 384266539 /nfs/dbraw/zinc/26/65/39/384266539.db2.gz AFGRYPOFKMVRCZ-IONNQARKSA-N 1 2 221.308 1.530 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000093771753 384269188 /nfs/dbraw/zinc/26/91/88/384269188.db2.gz YGULBJWGQGMSCO-CYBMUJFWSA-N 1 2 248.326 1.493 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000093771753 384269194 /nfs/dbraw/zinc/26/91/94/384269194.db2.gz YGULBJWGQGMSCO-CYBMUJFWSA-N 1 2 248.326 1.493 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1cnc[nH]1 ZINC000093818555 384273667 /nfs/dbraw/zinc/27/36/67/384273667.db2.gz OPHREUAFVVTLRW-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1cnc[nH]1 ZINC000093818555 384273670 /nfs/dbraw/zinc/27/36/70/384273670.db2.gz OPHREUAFVVTLRW-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1c[nH]cn1 ZINC000093818555 384273678 /nfs/dbraw/zinc/27/36/78/384273678.db2.gz OPHREUAFVVTLRW-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1c[nH]cn1 ZINC000093818555 384273684 /nfs/dbraw/zinc/27/36/84/384273684.db2.gz OPHREUAFVVTLRW-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560698459 384305363 /nfs/dbraw/zinc/30/53/63/384305363.db2.gz LGWROPZLXIQOOY-RQJHMYQMSA-N 1 2 213.306 1.338 20 0 BDADLO COCC[C@H](COC)Nc1cccc[nH+]1 ZINC000308806798 384306118 /nfs/dbraw/zinc/30/61/18/384306118.db2.gz AHJFGTUWOASBDD-SNVBAGLBSA-N 1 2 210.277 1.545 20 0 BDADLO CCS(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C ZINC000074837675 384307059 /nfs/dbraw/zinc/30/70/59/384307059.db2.gz HSRZHGKJJHLONF-UHFFFAOYSA-N 1 2 239.300 1.335 20 0 BDADLO COC(=O)C[N@H+](Cc1cccc(O)c1)C(C)C ZINC000094687833 384310482 /nfs/dbraw/zinc/31/04/82/384310482.db2.gz WBIXUOMDQAPVPV-UHFFFAOYSA-N 1 2 237.299 1.776 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccc(O)c1)C(C)C ZINC000094687833 384310491 /nfs/dbraw/zinc/31/04/91/384310491.db2.gz WBIXUOMDQAPVPV-UHFFFAOYSA-N 1 2 237.299 1.776 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558867217 384348495 /nfs/dbraw/zinc/34/84/95/384348495.db2.gz LAERMKFERHKPPP-IUCAKERBSA-N 1 2 249.257 1.252 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558867217 384348504 /nfs/dbraw/zinc/34/85/04/384348504.db2.gz LAERMKFERHKPPP-IUCAKERBSA-N 1 2 249.257 1.252 20 0 BDADLO Cc1ncsc1CNc1nc(C)[nH+]c(N)n1 ZINC000304529409 384348686 /nfs/dbraw/zinc/34/86/86/384348686.db2.gz UAHIQNFKOXJPTF-UHFFFAOYSA-N 1 2 236.304 1.139 20 0 BDADLO Cc1ncsc1CNc1nc(N)nc(C)[nH+]1 ZINC000304529409 384348688 /nfs/dbraw/zinc/34/86/88/384348688.db2.gz UAHIQNFKOXJPTF-UHFFFAOYSA-N 1 2 236.304 1.139 20 0 BDADLO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)OC ZINC000300388638 384362787 /nfs/dbraw/zinc/36/27/87/384362787.db2.gz OMDFPIDDQDNFJL-IUCAKERBSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1nc(C[NH2+][C@@]2(C)CCO[C@H]2C)no1 ZINC000300369425 384365851 /nfs/dbraw/zinc/36/58/51/384365851.db2.gz QTTNXHIFZJVEHD-XVKPBYJWSA-N 1 2 211.265 1.035 20 0 BDADLO Cc1nnc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)[nH]1 ZINC000625653802 384367924 /nfs/dbraw/zinc/36/79/24/384367924.db2.gz VBIRZUUUWIVEOL-HTQZYQBOSA-N 1 2 244.289 1.836 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](O)C2(C)C)no1 ZINC000332637281 384328650 /nfs/dbraw/zinc/32/86/50/384328650.db2.gz JNMVZUOMELKSOB-VIFPVBQESA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](O)C2(C)C)no1 ZINC000332637281 384328654 /nfs/dbraw/zinc/32/86/54/384328654.db2.gz JNMVZUOMELKSOB-VIFPVBQESA-N 1 2 239.319 1.367 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000304494376 384329404 /nfs/dbraw/zinc/32/94/04/384329404.db2.gz PPRHVQYTHAOLGC-APPZFPTMSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000304494376 384329409 /nfs/dbraw/zinc/32/94/09/384329409.db2.gz PPRHVQYTHAOLGC-APPZFPTMSA-N 1 2 221.308 1.753 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000331630828 384396680 /nfs/dbraw/zinc/39/66/80/384396680.db2.gz LGYHQLCJAFKFRJ-LLVKDONJSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000331630828 384396687 /nfs/dbraw/zinc/39/66/87/384396687.db2.gz LGYHQLCJAFKFRJ-LLVKDONJSA-N 1 2 238.335 1.035 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000175136677 384401079 /nfs/dbraw/zinc/40/10/79/384401079.db2.gz YNZHWCIBXOLJQT-QMMMGPOBSA-N 1 2 213.281 1.619 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000175136677 384401089 /nfs/dbraw/zinc/40/10/89/384401089.db2.gz YNZHWCIBXOLJQT-QMMMGPOBSA-N 1 2 213.281 1.619 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc(F)c(F)c(F)c1 ZINC000179975725 384416089 /nfs/dbraw/zinc/41/60/89/384416089.db2.gz GVZLTTRSJNBPFL-UHFFFAOYSA-N 1 2 232.205 1.021 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc(F)c(F)c(F)c1 ZINC000179975725 384416096 /nfs/dbraw/zinc/41/60/96/384416096.db2.gz GVZLTTRSJNBPFL-UHFFFAOYSA-N 1 2 232.205 1.021 20 0 BDADLO CC[C@](C)(O)CNC(=O)Nc1cc[nH+]cc1C ZINC000121439939 384416745 /nfs/dbraw/zinc/41/67/45/384416745.db2.gz NDDAITQTXMPXQD-LBPRGKRZSA-N 1 2 237.303 1.673 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H](CC2CC2)C1 ZINC000359686338 384378200 /nfs/dbraw/zinc/37/82/00/384378200.db2.gz GKIPCWVKONSBNQ-ZDUSSCGKSA-N 1 2 247.342 1.922 20 0 BDADLO CC(C)CCO[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359686216 384379159 /nfs/dbraw/zinc/37/91/59/384379159.db2.gz VIPJSKRWFAZZSK-SNVBAGLBSA-N 1 2 239.319 1.477 20 0 BDADLO CC(C)CCO[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359686216 384379165 /nfs/dbraw/zinc/37/91/65/384379165.db2.gz VIPJSKRWFAZZSK-SNVBAGLBSA-N 1 2 239.319 1.477 20 0 BDADLO N#Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000381809097 384455098 /nfs/dbraw/zinc/45/50/98/384455098.db2.gz GTYIANYWWHYADQ-UHFFFAOYSA-N 1 2 213.240 1.836 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](O)CC2)no1 ZINC000331696309 384440265 /nfs/dbraw/zinc/44/02/65/384440265.db2.gz YIELLJPBIHODCT-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](O)CC2)no1 ZINC000331696309 384440266 /nfs/dbraw/zinc/44/02/66/384440266.db2.gz YIELLJPBIHODCT-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC12CC2 ZINC000334984834 384443854 /nfs/dbraw/zinc/44/38/54/384443854.db2.gz CRVNDWDONCETOZ-SNVBAGLBSA-N 1 2 216.284 1.805 20 0 BDADLO C[C@H]([NH2+]Cc1csnn1)c1cccnc1 ZINC000036902036 384461864 /nfs/dbraw/zinc/46/18/64/384461864.db2.gz MFCIXEPUDBGJFY-QMMMGPOBSA-N 1 2 220.301 1.784 20 0 BDADLO CC(C)n1cccc1C(=O)NCCn1cc[nH+]c1 ZINC000135882826 384466885 /nfs/dbraw/zinc/46/68/85/384466885.db2.gz YNHUFFVYRCFQQU-UHFFFAOYSA-N 1 2 246.314 1.696 20 0 BDADLO CCc1cnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)o1 ZINC000533523955 384470380 /nfs/dbraw/zinc/47/03/80/384470380.db2.gz ORXNICAGRWPRAR-SNVBAGLBSA-N 1 2 239.319 1.227 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCSC1 ZINC000135657986 384458718 /nfs/dbraw/zinc/45/87/18/384458718.db2.gz BHTRNCGNSYXGLF-QMMMGPOBSA-N 1 2 249.343 1.671 20 0 BDADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000047597580 384458905 /nfs/dbraw/zinc/45/89/05/384458905.db2.gz OZXFULYUMXBUJP-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO CCC(CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000170208421 384500050 /nfs/dbraw/zinc/50/00/50/384500050.db2.gz HAHSCAIMIADLFI-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000361414634 384501746 /nfs/dbraw/zinc/50/17/46/384501746.db2.gz WGHZOMYPWPUEHN-NSHDSACASA-N 1 2 247.342 1.489 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000361414634 384501751 /nfs/dbraw/zinc/50/17/51/384501751.db2.gz WGHZOMYPWPUEHN-NSHDSACASA-N 1 2 247.342 1.489 20 0 BDADLO Cc1ccn2cc(CNC(=O)NC(C)C)[nH+]c2c1 ZINC000048843949 384510240 /nfs/dbraw/zinc/51/02/40/384510240.db2.gz RFVIWKXALIYKGC-UHFFFAOYSA-N 1 2 246.314 1.850 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1CC12CC2 ZINC000335020826 384491426 /nfs/dbraw/zinc/49/14/26/384491426.db2.gz IMEXJGRBVUARGR-SNVBAGLBSA-N 1 2 245.326 1.911 20 0 BDADLO CCSCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000309033507 384493276 /nfs/dbraw/zinc/49/32/76/384493276.db2.gz GQIMUCLZNRTDHY-UHFFFAOYSA-N 1 2 229.349 1.956 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000309059265 384494446 /nfs/dbraw/zinc/49/44/46/384494446.db2.gz NDENMQLOVPKZKM-DTWKUNHWSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000309059265 384494452 /nfs/dbraw/zinc/49/44/52/384494452.db2.gz NDENMQLOVPKZKM-DTWKUNHWSA-N 1 2 225.292 1.148 20 0 BDADLO Cc1noc(C2CC[NH+](Cc3ccon3)CC2)n1 ZINC000122885119 384516007 /nfs/dbraw/zinc/51/60/07/384516007.db2.gz LJDFAHKBPUYFQG-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO CSCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000049119825 384520475 /nfs/dbraw/zinc/52/04/75/384520475.db2.gz UYXXVASZLSMPHB-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122914094 384521765 /nfs/dbraw/zinc/52/17/65/384521765.db2.gz QMBOHGYOYMUYFP-ONGXEEELSA-N 1 2 207.277 1.313 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000561144329 384522927 /nfs/dbraw/zinc/52/29/27/384522927.db2.gz FKWMEACDVZJAEL-VWYCJHECSA-N 1 2 233.315 1.218 20 0 BDADLO c1[nH+]cn2c1CN(c1nc(C3CCC3)no1)CC2 ZINC000517855207 384532410 /nfs/dbraw/zinc/53/24/10/384532410.db2.gz PSFUVAAEQJUSIM-UHFFFAOYSA-N 1 2 245.286 1.554 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000080354532 384547694 /nfs/dbraw/zinc/54/76/94/384547694.db2.gz FZMWBWAXELTYKA-SECBINFHSA-N 1 2 232.283 1.819 20 0 BDADLO CC(C)Cn1nccc1C[NH2+]Cc1cc[nH]n1 ZINC000647181123 384554678 /nfs/dbraw/zinc/55/46/78/384554678.db2.gz KQAZPALFGMUWES-UHFFFAOYSA-N 1 2 233.319 1.552 20 0 BDADLO Cc1ccnc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000184054973 384560291 /nfs/dbraw/zinc/56/02/91/384560291.db2.gz DXNUGJUKXCUEKK-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1cccc(O)c1 ZINC000049715421 384560365 /nfs/dbraw/zinc/56/03/65/384560365.db2.gz SDGNCOCHJYCZPU-VIFPVBQESA-N 1 2 217.272 1.966 20 0 BDADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000569609530 384538978 /nfs/dbraw/zinc/53/89/78/384538978.db2.gz RNYBAUOMSGTXGT-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000569609530 384538984 /nfs/dbraw/zinc/53/89/84/384538984.db2.gz RNYBAUOMSGTXGT-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO COC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccco1 ZINC000080239526 384540047 /nfs/dbraw/zinc/54/00/47/384540047.db2.gz NNCJXGHJHUMFFG-NSHDSACASA-N 1 2 235.287 1.788 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1ncc(Cl)s1 ZINC000308267533 384541158 /nfs/dbraw/zinc/54/11/58/384541158.db2.gz QLAISTRWFFGEPV-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1ncc(Cl)s1 ZINC000308267533 384541166 /nfs/dbraw/zinc/54/11/66/384541166.db2.gz QLAISTRWFFGEPV-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1ncc(Cl)s1 ZINC000308267534 384541323 /nfs/dbraw/zinc/54/13/23/384541323.db2.gz QLAISTRWFFGEPV-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1ncc(Cl)s1 ZINC000308267534 384541329 /nfs/dbraw/zinc/54/13/29/384541329.db2.gz QLAISTRWFFGEPV-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3ccccc3C2)n1C ZINC000047540926 384570254 /nfs/dbraw/zinc/57/02/54/384570254.db2.gz QDNSFINETKGTHU-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3ccccc3C2)n1C ZINC000047540926 384570258 /nfs/dbraw/zinc/57/02/58/384570258.db2.gz QDNSFINETKGTHU-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CCCc1noc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000172436383 384590349 /nfs/dbraw/zinc/59/03/49/384590349.db2.gz MEULBKMPTVRLJH-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1noc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000172436383 384590357 /nfs/dbraw/zinc/59/03/57/384590357.db2.gz MEULBKMPTVRLJH-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CSC1(C[N@@H+]2CCOCC(F)(F)C2)CC1 ZINC000334582189 384591367 /nfs/dbraw/zinc/59/13/67/384591367.db2.gz ARBONVVIZNULOA-UHFFFAOYSA-N 1 2 237.315 1.850 20 0 BDADLO CSC1(C[N@H+]2CCOCC(F)(F)C2)CC1 ZINC000334582189 384591379 /nfs/dbraw/zinc/59/13/79/384591379.db2.gz ARBONVVIZNULOA-UHFFFAOYSA-N 1 2 237.315 1.850 20 0 BDADLO COC(=O)[C@@H](CC(C)C)NCc1[nH+]ccn1C ZINC000049856742 384576048 /nfs/dbraw/zinc/57/60/48/384576048.db2.gz ONSBMGPEFGZULG-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C1 ZINC000569621548 384578646 /nfs/dbraw/zinc/57/86/46/384578646.db2.gz PLQCXMJBVMJJFD-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C1 ZINC000569621548 384578650 /nfs/dbraw/zinc/57/86/50/384578650.db2.gz PLQCXMJBVMJJFD-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO COC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000049900860 384580653 /nfs/dbraw/zinc/58/06/53/384580653.db2.gz AKHJQFJAKZRJDE-QMMMGPOBSA-N 1 2 225.313 1.840 20 0 BDADLO COC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000049900860 384580658 /nfs/dbraw/zinc/58/06/58/384580658.db2.gz AKHJQFJAKZRJDE-QMMMGPOBSA-N 1 2 225.313 1.840 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000050048530 384586437 /nfs/dbraw/zinc/58/64/37/384586437.db2.gz UCUDQBUOCLHJKW-ZDUSSCGKSA-N 1 2 249.310 1.703 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000050048530 384586446 /nfs/dbraw/zinc/58/64/46/384586446.db2.gz UCUDQBUOCLHJKW-ZDUSSCGKSA-N 1 2 249.310 1.703 20 0 BDADLO COCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514423 384566620 /nfs/dbraw/zinc/56/66/20/384566620.db2.gz ACBDSAXZOXUIPR-UHFFFAOYSA-N 1 2 231.255 1.457 20 0 BDADLO C[C@@H](CC(=O)Nc1cc[nH+]cc1O)n1cccc1 ZINC000531118525 384614688 /nfs/dbraw/zinc/61/46/88/384614688.db2.gz JFKPCPVWBKOYSW-JTQLQIEISA-N 1 2 245.282 1.600 20 0 BDADLO Cc1nc(N2CCC[C@H]2CF)nc(N(C)C)[nH+]1 ZINC000338810054 384625900 /nfs/dbraw/zinc/62/59/00/384625900.db2.gz XRMZMDFFIOTEOX-VIFPVBQESA-N 1 2 239.298 1.184 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H]2CF)[nH+]1 ZINC000338810054 384625907 /nfs/dbraw/zinc/62/59/07/384625907.db2.gz XRMZMDFFIOTEOX-VIFPVBQESA-N 1 2 239.298 1.184 20 0 BDADLO CC/C=C\CC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000309842339 384663402 /nfs/dbraw/zinc/66/34/02/384663402.db2.gz DXOVKZSWSRFUEB-RXNFCKPNSA-N 1 2 227.304 1.264 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cnc(C)s1 ZINC000173227087 384666342 /nfs/dbraw/zinc/66/63/42/384666342.db2.gz DXFLYYJJZPMNTA-JTQLQIEISA-N 1 2 242.344 1.835 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cnc(C)s1 ZINC000173227087 384666346 /nfs/dbraw/zinc/66/63/46/384666346.db2.gz DXFLYYJJZPMNTA-JTQLQIEISA-N 1 2 242.344 1.835 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368327682 384670189 /nfs/dbraw/zinc/67/01/89/384670189.db2.gz GNXZQMATIMKXNG-OLZOCXBDSA-N 1 2 247.294 1.446 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368327682 384670193 /nfs/dbraw/zinc/67/01/93/384670193.db2.gz GNXZQMATIMKXNG-OLZOCXBDSA-N 1 2 247.294 1.446 20 0 BDADLO CC[C@@H]([NH2+]Cc1cocn1)[C@@H](O)C(F)(F)F ZINC000277073687 384672425 /nfs/dbraw/zinc/67/24/25/384672425.db2.gz SUDBJBHRQHSXBQ-HTQZYQBOSA-N 1 2 238.209 1.466 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048336826 384674756 /nfs/dbraw/zinc/67/47/56/384674756.db2.gz LOZDZQMSIZBARU-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048336826 384674763 /nfs/dbraw/zinc/67/47/63/384674763.db2.gz LOZDZQMSIZBARU-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000172997001 384645816 /nfs/dbraw/zinc/64/58/16/384645816.db2.gz VQOBJVNZGGLAIV-SNVBAGLBSA-N 1 2 247.298 1.851 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1cccs1)C1CC1 ZINC000041047601 384649952 /nfs/dbraw/zinc/64/99/52/384649952.db2.gz DZUGWRLFXJAPLL-SNVBAGLBSA-N 1 2 225.313 1.789 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCCc1c[nH+]cn1C ZINC000518083547 384655941 /nfs/dbraw/zinc/65/59/41/384655941.db2.gz UCICNKJJEMSBKL-RISCZKNCSA-N 1 2 249.358 1.905 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000363921053 384658663 /nfs/dbraw/zinc/65/86/63/384658663.db2.gz KKBORVIONJFHPA-LLVKDONJSA-N 1 2 237.303 1.038 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000363921053 384658671 /nfs/dbraw/zinc/65/86/71/384658671.db2.gz KKBORVIONJFHPA-LLVKDONJSA-N 1 2 237.303 1.038 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185154750 384685276 /nfs/dbraw/zinc/68/52/76/384685276.db2.gz QYFGHPZQHRJXEU-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185154750 384685282 /nfs/dbraw/zinc/68/52/82/384685282.db2.gz QYFGHPZQHRJXEU-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO Cc1cc[nH+]c(NC[C@@]2(O)CCOC2)c1Cl ZINC000309884023 384692291 /nfs/dbraw/zinc/69/22/91/384692291.db2.gz XFDFPNYKNVKATP-NSHDSACASA-N 1 2 242.706 1.607 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101866516 384693260 /nfs/dbraw/zinc/69/32/60/384693260.db2.gz PVWNCIRQKVRQMK-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO Cc1nnc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000428306230 384701725 /nfs/dbraw/zinc/70/17/25/384701725.db2.gz OJICOLZTAIQTEL-SECBINFHSA-N 1 2 232.291 1.173 20 0 BDADLO Cc1cc(N2CCO[C@H]3C[C@H]32)nc(C2CC2)[nH+]1 ZINC000368048948 384704780 /nfs/dbraw/zinc/70/47/80/384704780.db2.gz ZNVLPJNMLHWZKF-MNOVXSKESA-N 1 2 231.299 1.640 20 0 BDADLO CC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000554492175 384709280 /nfs/dbraw/zinc/70/92/80/384709280.db2.gz AJLBJGIQTYIACW-HAQNSBGRSA-N 1 2 235.331 1.968 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000258939743 384709879 /nfs/dbraw/zinc/70/98/79/384709879.db2.gz PYWRMOXVKQSJQU-UHFFFAOYSA-N 1 2 235.283 1.479 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000258939743 384709887 /nfs/dbraw/zinc/70/98/87/384709887.db2.gz PYWRMOXVKQSJQU-UHFFFAOYSA-N 1 2 235.283 1.479 20 0 BDADLO CC(C)(C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363707482 384715389 /nfs/dbraw/zinc/71/53/89/384715389.db2.gz BEOIFBYKBKOQPC-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO Cn1nncc1C[N@H+](C)Cc1ccccc1 ZINC000082952051 384730506 /nfs/dbraw/zinc/73/05/06/384730506.db2.gz NVXIEEJHRVNXML-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1nncc1C[N@@H+](C)Cc1ccccc1 ZINC000082952051 384730511 /nfs/dbraw/zinc/73/05/11/384730511.db2.gz NVXIEEJHRVNXML-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000126107315 384735147 /nfs/dbraw/zinc/73/51/47/384735147.db2.gz LIFZYIWWXHPLJN-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000126107315 384735149 /nfs/dbraw/zinc/73/51/49/384735149.db2.gz LIFZYIWWXHPLJN-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000054936454 384741860 /nfs/dbraw/zinc/74/18/60/384741860.db2.gz HCEJVWAYDHWEHV-NXEZZACHSA-N 1 2 207.277 1.764 20 0 BDADLO CC[C@@H]([NH2+]CCSC(C)C)C(=O)OC ZINC000308483363 384745739 /nfs/dbraw/zinc/74/57/39/384745739.db2.gz NVEJEKLUSWDYJD-SECBINFHSA-N 1 2 219.350 1.669 20 0 BDADLO CC[C@H](CNc1nc[nH+]c(N)c1Cl)OC ZINC000290600366 384759403 /nfs/dbraw/zinc/75/94/03/384759403.db2.gz DUGVJFQFNJLXDR-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO CC[C@H](CNc1[nH+]cnc(N)c1Cl)OC ZINC000290600366 384759409 /nfs/dbraw/zinc/75/94/09/384759409.db2.gz DUGVJFQFNJLXDR-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO CC[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233838086 384825017 /nfs/dbraw/zinc/82/50/17/384825017.db2.gz GVMQEQBGNHNRAU-RXMQYKEDSA-N 1 2 200.673 1.923 20 0 BDADLO CC[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233838086 384825024 /nfs/dbraw/zinc/82/50/24/384825024.db2.gz GVMQEQBGNHNRAU-RXMQYKEDSA-N 1 2 200.673 1.923 20 0 BDADLO CCC(C)(C)NC(=O)NCc1c[nH+]cn1C ZINC000292405639 384781499 /nfs/dbraw/zinc/78/14/99/384781499.db2.gz SEDYDABFDQWNJX-UHFFFAOYSA-N 1 2 224.308 1.408 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnn(C)c2C)s1 ZINC000126269160 384782831 /nfs/dbraw/zinc/78/28/31/384782831.db2.gz JTBQELHMWMGAJJ-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1cc(C)c(CNC(=O)C(C)C)c[nH+]1 ZINC000335058293 384788928 /nfs/dbraw/zinc/78/89/28/384788928.db2.gz MUPMSTFKYRTAFN-UHFFFAOYSA-N 1 2 206.289 1.971 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)C(=O)OC ZINC000310025175 384789708 /nfs/dbraw/zinc/78/97/08/384789708.db2.gz OWOZKFWAPFQLMF-LMLFDSFASA-N 1 2 227.304 1.095 20 0 BDADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1cccc(F)c1 ZINC000398085987 384796949 /nfs/dbraw/zinc/79/69/49/384796949.db2.gz PWBKJQPZZAJPMT-NSHDSACASA-N 1 2 249.293 1.590 20 0 BDADLO COC[C@@H](CC(C)C)[NH2+]Cc1ccn[nH]1 ZINC000390007479 384797540 /nfs/dbraw/zinc/79/75/40/384797540.db2.gz XKQHHLOLDUSUSJ-LLVKDONJSA-N 1 2 211.309 1.560 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000090451978 384807370 /nfs/dbraw/zinc/80/73/70/384807370.db2.gz UXXMHALTJWFHHA-OPRDCNLKSA-N 1 2 229.320 1.484 20 0 BDADLO CCOc1cc(NCc2ccc(N)[nH+]c2)ncn1 ZINC000277691322 384814311 /nfs/dbraw/zinc/81/43/11/384814311.db2.gz BZDSQDYDGKRPTC-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO Cc1cc(C)c2c(c1)C[N@H+]([C@@H]1CCOC1=O)CC2 ZINC000186727140 384871967 /nfs/dbraw/zinc/87/19/67/384871967.db2.gz QXGPCFFTXYWKKY-CQSZACIVSA-N 1 2 245.322 1.977 20 0 BDADLO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H]1CCOC1=O)CC2 ZINC000186727140 384871974 /nfs/dbraw/zinc/87/19/74/384871974.db2.gz QXGPCFFTXYWKKY-CQSZACIVSA-N 1 2 245.322 1.977 20 0 BDADLO CCc1cccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000449908761 384849251 /nfs/dbraw/zinc/84/92/51/384849251.db2.gz WMUPGFURLUXLHA-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CCc1cccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000449908761 384849256 /nfs/dbraw/zinc/84/92/56/384849256.db2.gz WMUPGFURLUXLHA-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1)c1csnn1 ZINC000398220551 384852753 /nfs/dbraw/zinc/85/27/53/384852753.db2.gz CUKHLCHKUXJXLS-MRVPVSSYSA-N 1 2 220.301 1.784 20 0 BDADLO COc1cc(C)[nH+]c(Cn2cc(F)ccc2=O)c1 ZINC000336054202 384861566 /nfs/dbraw/zinc/86/15/66/384861566.db2.gz QYFMRVQHBKGOSI-UHFFFAOYSA-N 1 2 248.257 1.748 20 0 BDADLO Cc1cc(C(=O)C[N@H+](C)CCCO)c(C)[nH]1 ZINC000300801880 384950461 /nfs/dbraw/zinc/95/04/61/384950461.db2.gz JEZLVMFQHGNQBI-UHFFFAOYSA-N 1 2 224.304 1.128 20 0 BDADLO Cc1cc(C(=O)C[N@@H+](C)CCCO)c(C)[nH]1 ZINC000300801880 384950465 /nfs/dbraw/zinc/95/04/65/384950465.db2.gz JEZLVMFQHGNQBI-UHFFFAOYSA-N 1 2 224.304 1.128 20 0 BDADLO C[C@@H](CCS(C)(=O)=O)Nc1cccc[nH+]1 ZINC000301682673 384907217 /nfs/dbraw/zinc/90/72/17/384907217.db2.gz UBUSGUUVQDMWJJ-VIFPVBQESA-N 1 2 228.317 1.317 20 0 BDADLO CCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367596924 384922390 /nfs/dbraw/zinc/92/23/90/384922390.db2.gz AUNXULUMULGKFU-JTQLQIEISA-N 1 2 209.293 1.413 20 0 BDADLO Cn1c[nH+]cc1COc1ccc(CO)cc1 ZINC000085191596 384924255 /nfs/dbraw/zinc/92/42/55/384924255.db2.gz ZZPYQGUEOVVNPF-UHFFFAOYSA-N 1 2 218.256 1.491 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)no1 ZINC000555879018 384978527 /nfs/dbraw/zinc/97/85/27/384978527.db2.gz UJSHNPBOHDGXKV-GFCCVEGCSA-N 1 2 244.298 1.763 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](c3ccncc3)C2)no1 ZINC000555879018 384978531 /nfs/dbraw/zinc/97/85/31/384978531.db2.gz UJSHNPBOHDGXKV-GFCCVEGCSA-N 1 2 244.298 1.763 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)s1 ZINC000088094131 384985663 /nfs/dbraw/zinc/98/56/63/384985663.db2.gz MTOAWNRUYLJUFZ-SNVBAGLBSA-N 1 2 241.356 1.504 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H](CO)C2)s1 ZINC000088094131 384985673 /nfs/dbraw/zinc/98/56/73/384985673.db2.gz MTOAWNRUYLJUFZ-SNVBAGLBSA-N 1 2 241.356 1.504 20 0 BDADLO Cc1nnc(CC(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000362926715 384999350 /nfs/dbraw/zinc/99/93/50/384999350.db2.gz CKRROSBGPOJKEU-UHFFFAOYSA-N 1 2 246.270 1.571 20 0 BDADLO Cn1cc(Cl)c(C[NH2+]Cc2ccns2)n1 ZINC000404475963 385009424 /nfs/dbraw/zinc/00/94/24/385009424.db2.gz RAWGUTYHSZPTGI-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@H]1C1CC1 ZINC000530719498 385022987 /nfs/dbraw/zinc/02/29/87/385022987.db2.gz PGAJUZWPHYONTJ-RYUDHWBXSA-N 1 2 245.326 1.656 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)CCCO)n1 ZINC000300870597 385011455 /nfs/dbraw/zinc/01/14/55/385011455.db2.gz XCLLLGOPSPUWHN-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)CCCO)n1 ZINC000300870597 385011458 /nfs/dbraw/zinc/01/14/58/385011458.db2.gz XCLLLGOPSPUWHN-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO Nc1ccc(CNc2ncccn2)c[nH+]1 ZINC000302771894 385016449 /nfs/dbraw/zinc/01/64/49/385016449.db2.gz NGONCHHRHXQJHV-UHFFFAOYSA-N 1 2 201.233 1.066 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000051886924 385023346 /nfs/dbraw/zinc/02/33/46/385023346.db2.gz SQFDARPRVIIJLD-VIFPVBQESA-N 1 2 239.319 1.181 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000051886924 385023347 /nfs/dbraw/zinc/02/33/47/385023347.db2.gz SQFDARPRVIIJLD-VIFPVBQESA-N 1 2 239.319 1.181 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1CCOCC1 ZINC000107293396 384963193 /nfs/dbraw/zinc/96/31/93/384963193.db2.gz KYUJBJTYZNRYKT-UHFFFAOYSA-N 1 2 220.272 1.755 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cc[nH]n1 ZINC000107290464 384963329 /nfs/dbraw/zinc/96/33/29/384963329.db2.gz LSBPKVODXNIMHN-UHFFFAOYSA-N 1 2 202.217 1.365 20 0 BDADLO COC(=O)C1(C[N@@H+]2CCC(F)(F)C2)CC1 ZINC000259612576 384963375 /nfs/dbraw/zinc/96/33/75/384963375.db2.gz VTJVQCXPIVVADX-UHFFFAOYSA-N 1 2 219.231 1.281 20 0 BDADLO COC(=O)C1(C[N@H+]2CCC(F)(F)C2)CC1 ZINC000259612576 384963384 /nfs/dbraw/zinc/96/33/84/384963384.db2.gz VTJVQCXPIVVADX-UHFFFAOYSA-N 1 2 219.231 1.281 20 0 BDADLO c1cn(C[C@H]2CCCN(c3cccc[nH+]3)C2)nn1 ZINC000128674098 385061546 /nfs/dbraw/zinc/06/15/46/385061546.db2.gz VVAZGMXJWDUIAF-LBPRGKRZSA-N 1 2 243.314 1.590 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1CC12CC2 ZINC000569354007 385062455 /nfs/dbraw/zinc/06/24/55/385062455.db2.gz VWKWQANDZJDDAD-VHSXEESVSA-N 1 2 248.330 1.816 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000130917681 385063429 /nfs/dbraw/zinc/06/34/29/385063429.db2.gz DBHJFRRELQQQIU-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000130917681 385063436 /nfs/dbraw/zinc/06/34/36/385063436.db2.gz DBHJFRRELQQQIU-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO O=C(C=C1CCC1)NCCCn1cc[nH+]c1 ZINC000086964314 385064422 /nfs/dbraw/zinc/06/44/22/385064422.db2.gz LGJNNVTXMILIJY-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO COC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000279188698 385074404 /nfs/dbraw/zinc/07/44/04/385074404.db2.gz WEAKGPZHTSCCJA-VHSXEESVSA-N 1 2 220.272 1.835 20 0 BDADLO CC[C@@H](C)CN(CC)Cc1noc(C[NH3+])n1 ZINC000300952896 385076281 /nfs/dbraw/zinc/07/62/81/385076281.db2.gz ULCLUMUWPJAKMH-SECBINFHSA-N 1 2 226.324 1.396 20 0 BDADLO CCNC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000156919096 385023757 /nfs/dbraw/zinc/02/37/57/385023757.db2.gz JTMYQKCKNDGPFX-UHFFFAOYSA-N 1 2 245.282 1.387 20 0 BDADLO CO[C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000569353522 385030732 /nfs/dbraw/zinc/03/07/32/385030732.db2.gz SQFDNTXROGFIKG-VHSXEESVSA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000569353522 385030741 /nfs/dbraw/zinc/03/07/41/385030741.db2.gz SQFDNTXROGFIKG-VHSXEESVSA-N 1 2 239.319 1.130 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc(F)c1N ZINC000156342929 385035969 /nfs/dbraw/zinc/03/59/69/385035969.db2.gz WHOQGGQLNVMOLJ-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc(F)c1N ZINC000156342929 385035975 /nfs/dbraw/zinc/03/59/75/385035975.db2.gz WHOQGGQLNVMOLJ-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO Cc1csc(C[NH2+][C@@H](C)CN(C)C)n1 ZINC000130489626 385045131 /nfs/dbraw/zinc/04/51/31/385045131.db2.gz TYSWSBGEFCBQFK-QMMMGPOBSA-N 1 2 213.350 1.491 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000189074568 385121790 /nfs/dbraw/zinc/12/17/90/385121790.db2.gz SIUOHABOHITJFE-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000189074568 385121793 /nfs/dbraw/zinc/12/17/93/385121793.db2.gz SIUOHABOHITJFE-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)C1CCCC1 ZINC000129232992 385122159 /nfs/dbraw/zinc/12/21/59/385122159.db2.gz MVYCINAZRRNUJC-CQSZACIVSA-N 1 2 212.318 1.611 20 0 BDADLO COCC[S@](=O)Cc1cn2ccccc2[nH+]1 ZINC000176641944 385125200 /nfs/dbraw/zinc/12/52/00/385125200.db2.gz WACQXRLXTLFJFS-INIZCTEOSA-N 1 2 238.312 1.229 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)cc1C ZINC000279437864 385127111 /nfs/dbraw/zinc/12/71/11/385127111.db2.gz HEYWMFOCAMUERQ-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CCCCO2)c[nH+]1 ZINC000061680229 385131783 /nfs/dbraw/zinc/13/17/83/385131783.db2.gz GWQVHBKZYZWCPH-VIFPVBQESA-N 1 2 221.260 1.171 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1[C@H](C)C[C@@H]1C ZINC000491966071 385134943 /nfs/dbraw/zinc/13/49/43/385134943.db2.gz UODCOGBPGMCFBQ-UORZZXJBSA-N 1 2 233.315 1.926 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000448773546 385136447 /nfs/dbraw/zinc/13/64/47/385136447.db2.gz VSYJEWOPSJIQNA-SECBINFHSA-N 1 2 237.303 1.247 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000407955374 385138955 /nfs/dbraw/zinc/13/89/55/385138955.db2.gz RDJHHNFKLSBFKL-PSASIEDQSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000407955374 385138959 /nfs/dbraw/zinc/13/89/59/385138959.db2.gz RDJHHNFKLSBFKL-PSASIEDQSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@H]2C)[nH+]1 ZINC000407955383 385139486 /nfs/dbraw/zinc/13/94/86/385139486.db2.gz RDJHHNFKLSBFKL-SCZZXKLOSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000407955383 385139493 /nfs/dbraw/zinc/13/94/93/385139493.db2.gz RDJHHNFKLSBFKL-SCZZXKLOSA-N 1 2 235.335 1.268 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C(C)(C)CO)[nH]1 ZINC000644668860 385085620 /nfs/dbraw/zinc/08/56/20/385085620.db2.gz KRWMLQGYJJRQSA-UHFFFAOYSA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C(C)(C)CO)[nH]1 ZINC000644668860 385085625 /nfs/dbraw/zinc/08/56/25/385085625.db2.gz KRWMLQGYJJRQSA-UHFFFAOYSA-N 1 2 226.324 1.131 20 0 BDADLO CSCC[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000151141756 385089938 /nfs/dbraw/zinc/08/99/38/385089938.db2.gz NXJNDCASAPIAOF-SSDOTTSWSA-N 1 2 215.322 1.734 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000151141756 385089949 /nfs/dbraw/zinc/08/99/49/385089949.db2.gz NXJNDCASAPIAOF-SSDOTTSWSA-N 1 2 215.322 1.734 20 0 BDADLO Cc1ccnc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000061859271 385141237 /nfs/dbraw/zinc/14/12/37/385141237.db2.gz DWFDJESTKOLTIQ-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO c1c[nH+]c(CN2CCN(c3ccccc3)CC2)[nH]1 ZINC000109824446 385189038 /nfs/dbraw/zinc/18/90/38/385189038.db2.gz NQJHGOVVXNJHOP-UHFFFAOYSA-N 1 2 242.326 1.732 20 0 BDADLO Cc1nc(C[N@H+](C)CCCc2ccncc2)no1 ZINC000360473149 385192004 /nfs/dbraw/zinc/19/20/04/385192004.db2.gz IYVIRRBHVPKDEO-UHFFFAOYSA-N 1 2 246.314 1.838 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCc2ccncc2)no1 ZINC000360473149 385192010 /nfs/dbraw/zinc/19/20/10/385192010.db2.gz IYVIRRBHVPKDEO-UHFFFAOYSA-N 1 2 246.314 1.838 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1nnnn1C ZINC000189840504 385192322 /nfs/dbraw/zinc/19/23/22/385192322.db2.gz CQUNCHLNOLAMFA-RKDXNWHRSA-N 1 2 247.302 1.328 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000246283468 385143718 /nfs/dbraw/zinc/14/37/18/385143718.db2.gz CLSBYXOWYXRSBQ-BDAKNGLRSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000246283468 385143731 /nfs/dbraw/zinc/14/37/31/385143731.db2.gz CLSBYXOWYXRSBQ-BDAKNGLRSA-N 1 2 217.334 1.375 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H](C)CCO)c(C)[nH+]1 ZINC000176786660 385149628 /nfs/dbraw/zinc/14/96/28/385149628.db2.gz ZJSNPVAUVDKMIB-VIFPVBQESA-N 1 2 237.303 1.591 20 0 BDADLO c1cnn(CC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000072273109 385153990 /nfs/dbraw/zinc/15/39/90/385153990.db2.gz YAJOYODZOMWVNT-GFCCVEGCSA-N 1 2 245.330 1.486 20 0 BDADLO c1cnn(CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000072273109 385153997 /nfs/dbraw/zinc/15/39/97/385153997.db2.gz YAJOYODZOMWVNT-GFCCVEGCSA-N 1 2 245.330 1.486 20 0 BDADLO Cc1[nH]ccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176896043 385157577 /nfs/dbraw/zinc/15/75/77/385157577.db2.gz YBTWGZZBFFSONC-SNVBAGLBSA-N 1 2 246.314 1.586 20 0 BDADLO Cc1cc(C)c(CNC(=O)NC2CC2)c[nH+]1 ZINC000336308051 385158299 /nfs/dbraw/zinc/15/82/99/385158299.db2.gz SUMKUSUESIQSRA-UHFFFAOYSA-N 1 2 219.288 1.660 20 0 BDADLO CCCC[N@H+](CCO)Cc1c(Cl)cnn1C ZINC000189534102 385160624 /nfs/dbraw/zinc/16/06/24/385160624.db2.gz XLBCAMMIPILTIR-UHFFFAOYSA-N 1 2 245.754 1.668 20 0 BDADLO CCCC[N@@H+](CCO)Cc1c(Cl)cnn1C ZINC000189534102 385160632 /nfs/dbraw/zinc/16/06/32/385160632.db2.gz XLBCAMMIPILTIR-UHFFFAOYSA-N 1 2 245.754 1.668 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363377408 385200752 /nfs/dbraw/zinc/20/07/52/385200752.db2.gz AZCUZSVXIHMHBX-LLVKDONJSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)o1 ZINC000190041457 385208104 /nfs/dbraw/zinc/20/81/04/385208104.db2.gz MLTHKPUYFOFEPN-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)o1 ZINC000190041457 385208113 /nfs/dbraw/zinc/20/81/13/385208113.db2.gz MLTHKPUYFOFEPN-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO CON(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000190134506 385211877 /nfs/dbraw/zinc/21/18/77/385211877.db2.gz VZLBMIHPKORKQV-UHFFFAOYSA-N 1 2 234.259 1.037 20 0 BDADLO C[C@@H](CC(N)=O)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000122260536 385212448 /nfs/dbraw/zinc/21/24/48/385212448.db2.gz DGHGTWHHABLNRY-LURJTMIESA-N 1 2 247.220 1.776 20 0 BDADLO Cn1nccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110128680 385215027 /nfs/dbraw/zinc/21/50/27/385215027.db2.gz NEFRZIHONNMDOI-UHFFFAOYSA-N 1 2 229.287 1.700 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@H](C)c2ccccn2)CCO1 ZINC000177293649 385216035 /nfs/dbraw/zinc/21/60/35/385216035.db2.gz JPUJMHKAVGNAIT-NEPJUHHUSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H]1C[N@H+]([C@H](C)c2ccccn2)CCO1 ZINC000177293649 385216041 /nfs/dbraw/zinc/21/60/41/385216041.db2.gz JPUJMHKAVGNAIT-NEPJUHHUSA-N 1 2 236.315 1.490 20 0 BDADLO CCOC[C@H](C)[NH2+]Cc1csnn1 ZINC000044691065 385219509 /nfs/dbraw/zinc/21/95/09/385219509.db2.gz OXDIXZQQDDIANB-ZETCQYMHSA-N 1 2 201.295 1.053 20 0 BDADLO Cc1ccncc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000072168340 385225039 /nfs/dbraw/zinc/22/50/39/385225039.db2.gz ZCQVWJAKSQHGLL-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1cscn1 ZINC000190259243 385226647 /nfs/dbraw/zinc/22/66/47/385226647.db2.gz NREMARAZCXBARE-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1cscn1 ZINC000190259243 385226655 /nfs/dbraw/zinc/22/66/55/385226655.db2.gz NREMARAZCXBARE-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1ncc[nH]1 ZINC000153026742 385232603 /nfs/dbraw/zinc/23/26/03/385232603.db2.gz KZIUJOKFYGJGPM-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1ncc[nH]1 ZINC000153026742 385232609 /nfs/dbraw/zinc/23/26/09/385232609.db2.gz KZIUJOKFYGJGPM-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO CCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153051358 385233487 /nfs/dbraw/zinc/23/34/87/385233487.db2.gz FXVMHIUCURJQFQ-LLVKDONJSA-N 1 2 248.330 1.322 20 0 BDADLO C[C@H](O)C[N@H+](CCO)Cc1c(F)cccc1F ZINC000289702213 385242877 /nfs/dbraw/zinc/24/28/77/385242877.db2.gz HMUAKSZRLFRYGU-VIFPVBQESA-N 1 2 245.269 1.140 20 0 BDADLO C[C@H](O)C[N@@H+](CCO)Cc1c(F)cccc1F ZINC000289702213 385242883 /nfs/dbraw/zinc/24/28/83/385242883.db2.gz HMUAKSZRLFRYGU-VIFPVBQESA-N 1 2 245.269 1.140 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000130427508 385249187 /nfs/dbraw/zinc/24/91/87/385249187.db2.gz QZBFISYKYAIQSA-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000130427508 385249191 /nfs/dbraw/zinc/24/91/91/385249191.db2.gz QZBFISYKYAIQSA-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO COc1ncc(C[NH2+]Cc2ccno2)s1 ZINC000308896999 385250732 /nfs/dbraw/zinc/25/07/32/385250732.db2.gz ZQKDWHUTOWFENU-UHFFFAOYSA-N 1 2 225.273 1.430 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000130445273 385251490 /nfs/dbraw/zinc/25/14/90/385251490.db2.gz AXCQWFYMOXTLSD-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000130445273 385251495 /nfs/dbraw/zinc/25/14/95/385251495.db2.gz AXCQWFYMOXTLSD-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@@H]1c1ccccc1F ZINC000363511467 385304449 /nfs/dbraw/zinc/30/44/49/385304449.db2.gz MFUDQRRUWAUJIO-NEPJUHHUSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000363511467 385304454 /nfs/dbraw/zinc/30/44/54/385304454.db2.gz MFUDQRRUWAUJIO-NEPJUHHUSA-N 1 2 234.274 1.461 20 0 BDADLO C[C@]1([NH2+]Cc2ccn[nH]2)CCO[C@@H]1C1CC1 ZINC000273191825 385309048 /nfs/dbraw/zinc/30/90/48/385309048.db2.gz ZJYBVSGMAHWWCG-NEPJUHHUSA-N 1 2 221.304 1.457 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCOC1CCC1 ZINC000308959445 385312350 /nfs/dbraw/zinc/31/23/50/385312350.db2.gz RONALXBQCNKXGN-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1ccc(N[C@@H](C)CS(C)(=O)=O)c[nH+]1 ZINC000154262997 385312690 /nfs/dbraw/zinc/31/26/90/385312690.db2.gz GGKCNGBAXPDCOH-VIFPVBQESA-N 1 2 228.317 1.235 20 0 BDADLO COC(=O)[C@@H](C)N(Cc1c[nH+]c[nH]1)C1CCC1 ZINC000191650788 385313253 /nfs/dbraw/zinc/31/32/53/385313253.db2.gz MPTIISBGPMPWSW-SECBINFHSA-N 1 2 237.303 1.326 20 0 BDADLO COC(=O)[C@@H](C)N(Cc1c[nH]c[nH+]1)C1CCC1 ZINC000191650788 385313256 /nfs/dbraw/zinc/31/32/56/385313256.db2.gz MPTIISBGPMPWSW-SECBINFHSA-N 1 2 237.303 1.326 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CC(C)C)C(=O)OC ZINC000308963708 385316580 /nfs/dbraw/zinc/31/65/80/385316580.db2.gz TXHMDOHUJDZUJY-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364284673 385324590 /nfs/dbraw/zinc/32/45/90/385324590.db2.gz TXIWLLNUHJYXRJ-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)no1 ZINC000153511647 385262055 /nfs/dbraw/zinc/26/20/55/385262055.db2.gz HBURCBDRJCWCJM-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO CC(C)n1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000280158512 385265409 /nfs/dbraw/zinc/26/54/09/385265409.db2.gz ASQAQGZLOQTLQU-UHFFFAOYSA-N 1 2 205.265 1.799 20 0 BDADLO COC1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000648341287 385288089 /nfs/dbraw/zinc/28/80/89/385288089.db2.gz SNPAHRMBPVAZMP-UHFFFAOYSA-N 1 2 220.272 1.238 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cccc(C)n1)C1CC1 ZINC000360617046 385288160 /nfs/dbraw/zinc/28/81/60/385288160.db2.gz DPAATLKNYFBHAQ-CYBMUJFWSA-N 1 2 248.326 1.474 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000166884927 385288267 /nfs/dbraw/zinc/28/82/67/385288267.db2.gz XCWKHIDDWJKMDP-QWRGUYRKSA-N 1 2 221.304 1.382 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178792908 385330447 /nfs/dbraw/zinc/33/04/47/385330447.db2.gz RRZMVENAXICIPK-SDDRHHMPSA-N 1 2 249.358 1.996 20 0 BDADLO COCc1ccc(C[NH+]2CCOCC2)o1 ZINC000154511869 385333348 /nfs/dbraw/zinc/33/33/48/385333348.db2.gz GYLINTBAHQCJGT-UHFFFAOYSA-N 1 2 211.261 1.258 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cocn1 ZINC000191942428 385335160 /nfs/dbraw/zinc/33/51/60/385335160.db2.gz MGFOXUYGSMRTOQ-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cocn1 ZINC000191942428 385335161 /nfs/dbraw/zinc/33/51/61/385335161.db2.gz MGFOXUYGSMRTOQ-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000647313951 385340411 /nfs/dbraw/zinc/34/04/11/385340411.db2.gz PTNQNGNIRKKZAW-MXWKQRLJSA-N 1 2 233.315 1.312 20 0 BDADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)NC)C2 ZINC000428374148 385344308 /nfs/dbraw/zinc/34/43/08/385344308.db2.gz AOITZJMSQDFEIY-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)NC)C2 ZINC000428374148 385344314 /nfs/dbraw/zinc/34/43/14/385344314.db2.gz AOITZJMSQDFEIY-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CC(C)[N@H+](CCn1cccn1)CC(F)F ZINC000178559052 385391144 /nfs/dbraw/zinc/39/11/44/385391144.db2.gz UYPZUUWWCXHRHD-UHFFFAOYSA-N 1 2 217.263 1.859 20 0 BDADLO CC(C)[N@@H+](CCn1cccn1)CC(F)F ZINC000178559052 385391148 /nfs/dbraw/zinc/39/11/48/385391148.db2.gz UYPZUUWWCXHRHD-UHFFFAOYSA-N 1 2 217.263 1.859 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364321001 385352379 /nfs/dbraw/zinc/35/23/79/385352379.db2.gz YCXDKGPTEFGGTF-MRVPVSSYSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364321001 385352381 /nfs/dbraw/zinc/35/23/81/385352381.db2.gz YCXDKGPTEFGGTF-MRVPVSSYSA-N 1 2 241.722 1.030 20 0 BDADLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000178387120 385363644 /nfs/dbraw/zinc/36/36/44/385363644.db2.gz IHKOGZPPWYKYEE-SNVBAGLBSA-N 1 2 243.310 1.997 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccncc1 ZINC000155080165 385374369 /nfs/dbraw/zinc/37/43/69/385374369.db2.gz OLVHNQWNOMGFJS-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CC[N@@H+](Cc1csnn1)C[C@@H]1CCCO1 ZINC000179573770 385376572 /nfs/dbraw/zinc/37/65/72/385376572.db2.gz LKHVSMYYWNAKND-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@H+](Cc1csnn1)C[C@@H]1CCCO1 ZINC000179573770 385376576 /nfs/dbraw/zinc/37/65/76/385376576.db2.gz LKHVSMYYWNAKND-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000110111148 385381847 /nfs/dbraw/zinc/38/18/47/385381847.db2.gz KEMCICUSEWPVJL-SECBINFHSA-N 1 2 207.277 1.537 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCC1 ZINC000644798431 385386487 /nfs/dbraw/zinc/38/64/87/385386487.db2.gz WIUBUQBUIOUHKE-QWHCGFSZSA-N 1 2 247.342 1.968 20 0 BDADLO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000193188744 385387343 /nfs/dbraw/zinc/38/73/43/385387343.db2.gz XVPNHGHWKKRWBH-SNVBAGLBSA-N 1 2 243.310 1.792 20 0 BDADLO CON(Cc1c[nH+]c[nH]1)Cc1ccccc1 ZINC000193386633 385394770 /nfs/dbraw/zinc/39/47/70/385394770.db2.gz BZQPIYHRPJTOLC-UHFFFAOYSA-N 1 2 217.272 1.973 20 0 BDADLO CON(Cc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000193386633 385394773 /nfs/dbraw/zinc/39/47/73/385394773.db2.gz BZQPIYHRPJTOLC-UHFFFAOYSA-N 1 2 217.272 1.973 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000644041533 385395941 /nfs/dbraw/zinc/39/59/41/385395941.db2.gz RSSDKSBWLBFOFX-SCZZXKLOSA-N 1 2 241.360 1.790 20 0 BDADLO COc1nccnc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000449023917 385400613 /nfs/dbraw/zinc/40/06/13/385400613.db2.gz WGTKQQBNQRWHET-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@H+]1CCCO[C@H](C)C1 ZINC000449023917 385400618 /nfs/dbraw/zinc/40/06/18/385400618.db2.gz WGTKQQBNQRWHET-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193713635 385408845 /nfs/dbraw/zinc/40/88/45/385408845.db2.gz TVQLKYQIOFPJHF-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193713635 385408849 /nfs/dbraw/zinc/40/88/49/385408849.db2.gz TVQLKYQIOFPJHF-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO CCCc1nnc(NCc2c[nH+]cn2C)o1 ZINC000181681027 385409780 /nfs/dbraw/zinc/40/97/80/385409780.db2.gz MMEJXMKPEDCSLB-UHFFFAOYSA-N 1 2 221.264 1.368 20 0 BDADLO COC[C@@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000309086793 385410361 /nfs/dbraw/zinc/41/03/61/385410361.db2.gz YRJFNULPIJWROP-QMMMGPOBSA-N 1 2 230.695 1.463 20 0 BDADLO c1csc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000193739545 385410791 /nfs/dbraw/zinc/41/07/91/385410791.db2.gz NPXOZSIWSBQJOZ-GFCCVEGCSA-N 1 2 239.340 1.739 20 0 BDADLO c1csc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193739545 385410794 /nfs/dbraw/zinc/41/07/94/385410794.db2.gz NPXOZSIWSBQJOZ-GFCCVEGCSA-N 1 2 239.340 1.739 20 0 BDADLO c1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CCOC1 ZINC000109430446 385411347 /nfs/dbraw/zinc/41/13/47/385411347.db2.gz IUACBGQSKNHNTJ-GFCCVEGCSA-N 1 2 249.314 1.119 20 0 BDADLO C[N@H+](CCn1cccn1)CC(=O)OC(C)(C)C ZINC000170645584 385438628 /nfs/dbraw/zinc/43/86/28/385438628.db2.gz OXGCROKSXNFYMT-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO C[N@@H+](CCn1cccn1)CC(=O)OC(C)(C)C ZINC000170645584 385438632 /nfs/dbraw/zinc/43/86/32/385438632.db2.gz OXGCROKSXNFYMT-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1 ZINC000156409374 385451733 /nfs/dbraw/zinc/45/17/33/385451733.db2.gz SDEGJAHEIROKKJ-MRZGDXHCSA-N 1 2 244.338 1.910 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1 ZINC000156409374 385451738 /nfs/dbraw/zinc/45/17/38/385451738.db2.gz SDEGJAHEIROKKJ-MRZGDXHCSA-N 1 2 244.338 1.910 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000194951361 385453520 /nfs/dbraw/zinc/45/35/20/385453520.db2.gz KCMHNYJTSNIDQB-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000194951361 385453523 /nfs/dbraw/zinc/45/35/23/385453523.db2.gz KCMHNYJTSNIDQB-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO CCOC(=O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182270571 385436702 /nfs/dbraw/zinc/43/67/02/385436702.db2.gz WCLDDGSOGLVBRM-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492927429 385466418 /nfs/dbraw/zinc/46/64/18/385466418.db2.gz RWKIXWCVHAIXIY-XCPMARJRSA-N 1 2 235.287 1.059 20 0 BDADLO CCC[N@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000195515398 385470971 /nfs/dbraw/zinc/47/09/71/385470971.db2.gz GKRVDRFJSSZULW-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CCC[N@@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000195515398 385470983 /nfs/dbraw/zinc/47/09/83/385470983.db2.gz GKRVDRFJSSZULW-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCSC[C@H]1C ZINC000179666182 385481169 /nfs/dbraw/zinc/48/11/69/385481169.db2.gz GSCVHBVBHHEMGA-MRVPVSSYSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCSC[C@H]1C ZINC000179666182 385481171 /nfs/dbraw/zinc/48/11/71/385481171.db2.gz GSCVHBVBHHEMGA-MRVPVSSYSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@]1(C)CCCOC1 ZINC000221348185 385487429 /nfs/dbraw/zinc/48/74/29/385487429.db2.gz OFXPBUBBXKZCJM-NSHDSACASA-N 1 2 209.293 1.377 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@](C)(O)C1 ZINC000179312695 385458606 /nfs/dbraw/zinc/45/86/06/385458606.db2.gz XRJSEWQLHICXTQ-ZDUSSCGKSA-N 1 2 231.299 1.534 20 0 BDADLO CCN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000171008739 385461821 /nfs/dbraw/zinc/46/18/21/385461821.db2.gz ODHDXWMAGASXIH-UHFFFAOYSA-N 1 2 236.319 1.309 20 0 BDADLO CCN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000171011721 385462471 /nfs/dbraw/zinc/46/24/71/385462471.db2.gz UWAMAPRAPSDFHK-UHFFFAOYSA-N 1 2 236.319 1.545 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000156679628 385464420 /nfs/dbraw/zinc/46/44/20/385464420.db2.gz JFLRCIHKIZGBDC-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000156679628 385464424 /nfs/dbraw/zinc/46/44/24/385464424.db2.gz JFLRCIHKIZGBDC-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CCCCC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000309239771 385495481 /nfs/dbraw/zinc/49/54/81/385495481.db2.gz YCVUHEJSGFLDEF-LLVKDONJSA-N 1 2 215.293 1.098 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3ccon3)CC2)c1 ZINC000157371523 385498289 /nfs/dbraw/zinc/49/82/89/385498289.db2.gz IGUFZPKXWUBEJU-UHFFFAOYSA-N 1 2 247.298 1.585 20 0 BDADLO CC[C@@H](C)C[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000111254095 385498319 /nfs/dbraw/zinc/49/83/19/385498319.db2.gz RCWHNSZTRYSHBL-SNVBAGLBSA-N 1 2 248.330 1.501 20 0 BDADLO CC[C@@H](C)C[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000111254095 385498324 /nfs/dbraw/zinc/49/83/24/385498324.db2.gz RCWHNSZTRYSHBL-SNVBAGLBSA-N 1 2 248.330 1.501 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCS1 ZINC000171608706 385500512 /nfs/dbraw/zinc/50/05/12/385500512.db2.gz DTFVXDWBLAWIOQ-MRVPVSSYSA-N 1 2 249.343 1.305 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCNC(=O)C(C)C)o1 ZINC000157399616 385500527 /nfs/dbraw/zinc/50/05/27/385500527.db2.gz SMTWQGZYWUWWNO-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1cnc(C[N@H+](C)CCNC(=O)C(C)C)o1 ZINC000157399616 385500531 /nfs/dbraw/zinc/50/05/31/385500531.db2.gz SMTWQGZYWUWWNO-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CCO1 ZINC000171675547 385507268 /nfs/dbraw/zinc/50/72/68/385507268.db2.gz ZWGCOGARRNGRBL-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO C[C@H]1CN(c2cc(N3CCCC3)nc[nH+]2)CCO1 ZINC000171675547 385507271 /nfs/dbraw/zinc/50/72/71/385507271.db2.gz ZWGCOGARRNGRBL-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO CC[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000166525787 385507829 /nfs/dbraw/zinc/50/78/29/385507829.db2.gz GMINLRRPVROVAK-JTQLQIEISA-N 1 2 206.289 1.810 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364743397 385509444 /nfs/dbraw/zinc/50/94/44/385509444.db2.gz QIHBQSJHLQHQNB-DGCLKSJQSA-N 1 2 249.310 1.701 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364743397 385509446 /nfs/dbraw/zinc/50/94/46/385509446.db2.gz QIHBQSJHLQHQNB-DGCLKSJQSA-N 1 2 249.310 1.701 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000157636520 385512477 /nfs/dbraw/zinc/51/24/77/385512477.db2.gz UBOKEZRPNCTTAL-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000157636520 385512481 /nfs/dbraw/zinc/51/24/81/385512481.db2.gz UBOKEZRPNCTTAL-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO c1ccc(N2CC[C@@H](Nc3cnccn3)C2)[nH+]c1 ZINC000157662029 385513492 /nfs/dbraw/zinc/51/34/92/385513492.db2.gz XKSPRWITVBRNQA-LLVKDONJSA-N 1 2 241.298 1.562 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccc3nccn32)[C@H]1C ZINC000180257073 385515615 /nfs/dbraw/zinc/51/56/15/385515615.db2.gz VWIPABBANOAIFS-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccc3nccn32)[C@H]1C ZINC000180257073 385515619 /nfs/dbraw/zinc/51/56/19/385515619.db2.gz VWIPABBANOAIFS-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCCN(Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000180257073 385515622 /nfs/dbraw/zinc/51/56/22/385515622.db2.gz VWIPABBANOAIFS-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO CSCCC(=O)Nc1cc[nH+]cc1O ZINC000109891473 385490227 /nfs/dbraw/zinc/49/02/27/385490227.db2.gz BDNWZUUBTCMVFO-UHFFFAOYSA-N 1 2 212.274 1.479 20 0 BDADLO CC[C@H]1CN(Cc2cc(OC)cc[nH+]2)CCO1 ZINC000106859737 385536456 /nfs/dbraw/zinc/53/64/56/385536456.db2.gz TYTRISAEIIQSNX-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000171965882 385538140 /nfs/dbraw/zinc/53/81/40/385538140.db2.gz BRTCNWWESVDITG-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000171965882 385538143 /nfs/dbraw/zinc/53/81/43/385538143.db2.gz BRTCNWWESVDITG-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CCN(CC(C)C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493163071 385539852 /nfs/dbraw/zinc/53/98/52/385539852.db2.gz KIBUEGUOIQOVBX-WAYWQWQTSA-N 1 2 221.304 1.927 20 0 BDADLO COC[C@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000172989476 385539943 /nfs/dbraw/zinc/53/99/43/385539943.db2.gz HYEYICSRHCZBCY-GKQMSVHHSA-N 1 2 205.685 1.086 20 0 BDADLO COC[C@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000172989476 385539946 /nfs/dbraw/zinc/53/99/46/385539946.db2.gz HYEYICSRHCZBCY-GKQMSVHHSA-N 1 2 205.685 1.086 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)OCC2CC2)C1 ZINC000364815141 385520180 /nfs/dbraw/zinc/52/01/80/385520180.db2.gz VMAVLPIBCPKFTB-NSHDSACASA-N 1 2 249.314 1.756 20 0 BDADLO Cc1cnc(C[N@H+](C)CCn2cccn2)s1 ZINC000180488917 385525023 /nfs/dbraw/zinc/52/50/23/385525023.db2.gz QQBCKFCLHDQPBQ-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCn2cccn2)s1 ZINC000180488917 385525027 /nfs/dbraw/zinc/52/50/27/385525027.db2.gz QQBCKFCLHDQPBQ-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000408128536 385557936 /nfs/dbraw/zinc/55/79/36/385557936.db2.gz JUDOAWYPDRVYOO-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCCO[C@H](C)C2)o1 ZINC000408128536 385557941 /nfs/dbraw/zinc/55/79/41/385557941.db2.gz JUDOAWYPDRVYOO-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000408128534 385558043 /nfs/dbraw/zinc/55/80/43/385558043.db2.gz JUDOAWYPDRVYOO-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000408128534 385558045 /nfs/dbraw/zinc/55/80/45/385558045.db2.gz JUDOAWYPDRVYOO-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493294003 385560461 /nfs/dbraw/zinc/56/04/61/385560461.db2.gz VQHXUMCHEFLFOY-TYWZFMJISA-N 1 2 247.220 1.738 20 0 BDADLO CCOCCOCC(=O)Nc1cc[nH+]cc1C ZINC000107290176 385561235 /nfs/dbraw/zinc/56/12/35/385561235.db2.gz LZFKLEIQXUGUKM-UHFFFAOYSA-N 1 2 238.287 1.382 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000335135146 385562392 /nfs/dbraw/zinc/56/23/92/385562392.db2.gz ZOVKSKOJBVXWPF-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCOC(C)(C)C1 ZINC000335135146 385562394 /nfs/dbraw/zinc/56/23/94/385562394.db2.gz ZOVKSKOJBVXWPF-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1ccc(NC(=O)N2CC[C@@H](O)C2)c(C)[nH+]1 ZINC000181260477 385568989 /nfs/dbraw/zinc/56/89/89/385568989.db2.gz VEQMASJMZOBLNG-SNVBAGLBSA-N 1 2 235.287 1.297 20 0 BDADLO Cc1[nH]c(C(=O)NCCCC(C)(C)CO)c[nH+]1 ZINC000269508565 385602398 /nfs/dbraw/zinc/60/23/98/385602398.db2.gz HLNVQQMEBZPOBP-UHFFFAOYSA-N 1 2 239.319 1.247 20 0 BDADLO Cc1nc(N2CCC[C@@H]2c2ncc[nH]2)cc[nH+]1 ZINC000408171744 385604128 /nfs/dbraw/zinc/60/41/28/385604128.db2.gz NGWUGTJHVMACJT-SNVBAGLBSA-N 1 2 229.287 1.850 20 0 BDADLO CCCC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000309450393 385585049 /nfs/dbraw/zinc/58/50/49/385585049.db2.gz QRVDRTKEHJCDMN-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000408373300 385586704 /nfs/dbraw/zinc/58/67/04/385586704.db2.gz GGKKWPSSNBMSIO-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)[nH]1 ZINC000408373300 385586708 /nfs/dbraw/zinc/58/67/08/385586708.db2.gz GGKKWPSSNBMSIO-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000269787528 385636501 /nfs/dbraw/zinc/63/65/01/385636501.db2.gz DGXANWULKPKQFV-LLVKDONJSA-N 1 2 223.320 1.824 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337377152 385629734 /nfs/dbraw/zinc/62/97/34/385629734.db2.gz BTCXQQZHDGDAMI-JGVFFNPUSA-N 1 2 237.246 1.299 20 0 BDADLO CC[N@H+](CCO)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000118835269 385608653 /nfs/dbraw/zinc/60/86/53/385608653.db2.gz PQUSJXFYSIQFJV-SECBINFHSA-N 1 2 241.335 1.742 20 0 BDADLO CC[N@@H+](CCO)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000118835269 385608657 /nfs/dbraw/zinc/60/86/57/385608657.db2.gz PQUSJXFYSIQFJV-SECBINFHSA-N 1 2 241.335 1.742 20 0 BDADLO CC(C)(C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000337338925 385610507 /nfs/dbraw/zinc/61/05/07/385610507.db2.gz QWIBLTJYFIXGPZ-UHFFFAOYSA-N 1 2 248.317 1.878 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)CC(C)C)c[nH+]1 ZINC000269877192 385641293 /nfs/dbraw/zinc/64/12/93/385641293.db2.gz WYNMZGZDAFWHJC-QMMMGPOBSA-N 1 2 209.293 1.883 20 0 BDADLO CC(C)(O)C(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000281176780 385641358 /nfs/dbraw/zinc/64/13/58/385641358.db2.gz LNYKLMGDSWHLJA-UHFFFAOYSA-N 1 2 239.319 1.008 20 0 BDADLO CC(C)(O)C(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000281176780 385641361 /nfs/dbraw/zinc/64/13/61/385641361.db2.gz LNYKLMGDSWHLJA-UHFFFAOYSA-N 1 2 239.319 1.008 20 0 BDADLO Cc1c[nH+]ccc1CCNc1ncc(F)cn1 ZINC000269975636 385654015 /nfs/dbraw/zinc/65/40/15/385654015.db2.gz MAQXRZLDHRXJON-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccccn1 ZINC000054763512 385656331 /nfs/dbraw/zinc/65/63/31/385656331.db2.gz VMSBBXISJNEQRZ-VIFPVBQESA-N 1 2 202.261 1.656 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC1=CCCC1 ZINC000270006303 385658730 /nfs/dbraw/zinc/65/87/30/385658730.db2.gz JJKRJLJILPAYOZ-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)s1 ZINC000336734297 385660377 /nfs/dbraw/zinc/66/03/77/385660377.db2.gz HEYUIBQVDJUEDR-RNFRBKRXSA-N 1 2 237.332 1.981 20 0 BDADLO CC(C)CCOCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337444135 385663683 /nfs/dbraw/zinc/66/36/83/385663683.db2.gz HNQFGOVMQVHUFR-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337444135 385663686 /nfs/dbraw/zinc/66/36/86/385663686.db2.gz HNQFGOVMQVHUFR-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CO[C@@](C)(C[NH2+]CC(F)(F)CO)C1CC1 ZINC000647912366 385676054 /nfs/dbraw/zinc/67/60/54/385676054.db2.gz FYTNHABVIMHJBV-VIFPVBQESA-N 1 2 223.263 1.019 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccc(N)n2)CCCO1 ZINC000281499382 385676996 /nfs/dbraw/zinc/67/69/96/385676996.db2.gz UGECLOKPHULGMW-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccc(N)n2)CCCO1 ZINC000281499382 385677000 /nfs/dbraw/zinc/67/70/00/385677000.db2.gz UGECLOKPHULGMW-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CCC(C)C)C(=O)OC ZINC000309549516 385681095 /nfs/dbraw/zinc/68/10/95/385681095.db2.gz HRGSOYRVGVXSOM-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CCc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)o1 ZINC000270269388 385692003 /nfs/dbraw/zinc/69/20/03/385692003.db2.gz XLFLLPAYVCCZET-CYBMUJFWSA-N 1 2 249.314 1.399 20 0 BDADLO CC[N@H+](CCO)Cc1ncnn1-c1ccccc1 ZINC000281903585 385711158 /nfs/dbraw/zinc/71/11/58/385711158.db2.gz FYFVBEQIUVBLCB-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CC[N@@H+](CCO)Cc1ncnn1-c1ccccc1 ZINC000281903585 385711163 /nfs/dbraw/zinc/71/11/63/385711163.db2.gz FYFVBEQIUVBLCB-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000270486747 385712662 /nfs/dbraw/zinc/71/26/62/385712662.db2.gz XCWUZULBLAOEQH-ZETCQYMHSA-N 1 2 227.333 1.476 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)CC(C)(C)C ZINC000281891645 385712663 /nfs/dbraw/zinc/71/26/63/385712663.db2.gz OYFHXHRNUCTLOI-UHFFFAOYSA-N 1 2 230.333 1.381 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1ccn(C(F)F)n1 ZINC000336693146 385734348 /nfs/dbraw/zinc/73/43/48/385734348.db2.gz QYNNKZOXSDLWTQ-LURJTMIESA-N 1 2 207.199 1.726 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000336654795 385740481 /nfs/dbraw/zinc/74/04/81/385740481.db2.gz MXWOVOZKUVEQKD-CBAPKCEASA-N 1 2 203.257 1.276 20 0 BDADLO CC(C)n1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000061683245 385743808 /nfs/dbraw/zinc/74/38/08/385743808.db2.gz UWEXPMANSAOXSZ-UHFFFAOYSA-N 1 2 205.265 1.799 20 0 BDADLO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cn[nH]n1 ZINC000398303037 385747428 /nfs/dbraw/zinc/74/74/28/385747428.db2.gz SLJDSXGKCMVRGI-VIFPVBQESA-N 1 2 234.278 1.665 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OCC ZINC000336736909 385755811 /nfs/dbraw/zinc/75/58/11/385755811.db2.gz NECNJAVYPNBPEN-AXFHLTTASA-N 1 2 231.336 1.731 20 0 BDADLO CSCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451851890 385757323 /nfs/dbraw/zinc/75/73/23/385757323.db2.gz MBJUBQMSVDASDF-ZETCQYMHSA-N 1 2 213.293 1.297 20 0 BDADLO CSCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451851890 385757327 /nfs/dbraw/zinc/75/73/27/385757327.db2.gz MBJUBQMSVDASDF-ZETCQYMHSA-N 1 2 213.293 1.297 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186384228 385757425 /nfs/dbraw/zinc/75/74/25/385757425.db2.gz JHKZUKXBFHYJIV-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186384249 385758472 /nfs/dbraw/zinc/75/84/72/385758472.db2.gz JHKZUKXBFHYJIV-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nnc(N(C)Cc2[nH+]ccn2C)s1 ZINC000270945325 385762137 /nfs/dbraw/zinc/76/21/37/385762137.db2.gz NKRZNAFTTRCIDS-UHFFFAOYSA-N 1 2 223.305 1.216 20 0 BDADLO COC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OC ZINC000309646561 385763783 /nfs/dbraw/zinc/76/37/83/385763783.db2.gz MNCOXTAZLLKOFN-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO CCSCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000308257177 385765867 /nfs/dbraw/zinc/76/58/67/385765867.db2.gz KGHUOVWRXRTCDT-QMMMGPOBSA-N 1 2 205.323 1.233 20 0 BDADLO CCSCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000308257177 385765870 /nfs/dbraw/zinc/76/58/70/385765870.db2.gz KGHUOVWRXRTCDT-QMMMGPOBSA-N 1 2 205.323 1.233 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCC(F)(F)F ZINC000337735314 385766899 /nfs/dbraw/zinc/76/68/99/385766899.db2.gz PDSGAJXQNLULRF-UHFFFAOYSA-N 1 2 249.236 1.732 20 0 BDADLO CC(C)C1(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000294014324 385787414 /nfs/dbraw/zinc/78/74/14/385787414.db2.gz VEROCYGVTBIVHA-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO COC[C@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000282561931 385770977 /nfs/dbraw/zinc/77/09/77/385770977.db2.gz UHTVIAUCCXQJID-NSHDSACASA-N 1 2 246.314 1.392 20 0 BDADLO CC(C)(F)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000271040470 385776774 /nfs/dbraw/zinc/77/67/74/385776774.db2.gz IGAOVIVBHYXSTA-UHFFFAOYSA-N 1 2 249.289 1.741 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000258885791 385779218 /nfs/dbraw/zinc/77/92/18/385779218.db2.gz IQPVLJSBFBMQHT-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000258885791 385779226 /nfs/dbraw/zinc/77/92/26/385779226.db2.gz IQPVLJSBFBMQHT-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000258886316 385779593 /nfs/dbraw/zinc/77/95/93/385779593.db2.gz FDZHKJLJCNHSOD-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1ccnc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000258886316 385779597 /nfs/dbraw/zinc/77/95/97/385779597.db2.gz FDZHKJLJCNHSOD-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO CC(C)[N@H+](Cc1ccco1)Cc1cnnn1C ZINC000271047990 385779585 /nfs/dbraw/zinc/77/95/85/385779585.db2.gz NAYGSEHGDKEYRL-UHFFFAOYSA-N 1 2 234.303 1.819 20 0 BDADLO CC(C)[N@@H+](Cc1ccco1)Cc1cnnn1C ZINC000271047990 385779589 /nfs/dbraw/zinc/77/95/89/385779589.db2.gz NAYGSEHGDKEYRL-UHFFFAOYSA-N 1 2 234.303 1.819 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000271114642 385787942 /nfs/dbraw/zinc/78/79/42/385787942.db2.gz GPISWPINJLMDES-NEPJUHHUSA-N 1 2 219.288 1.230 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000271114642 385787943 /nfs/dbraw/zinc/78/79/43/385787943.db2.gz GPISWPINJLMDES-NEPJUHHUSA-N 1 2 219.288 1.230 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)o1 ZINC000282790218 385787970 /nfs/dbraw/zinc/78/79/70/385787970.db2.gz RAWTWGPNFMFEEZ-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)o1 ZINC000282790218 385787975 /nfs/dbraw/zinc/78/79/75/385787975.db2.gz RAWTWGPNFMFEEZ-NSHDSACASA-N 1 2 243.328 1.207 20 0 BDADLO CCC[C@H]([NH2+]CC1(CC)COC1)C(=O)OCC ZINC000393993229 385783999 /nfs/dbraw/zinc/78/39/99/385783999.db2.gz YEVLISODODFFSW-NSHDSACASA-N 1 2 243.347 1.734 20 0 BDADLO Cc1[nH]c(C(=O)NCC(=O)C(C)(C)C)c[nH+]1 ZINC000270572496 385719475 /nfs/dbraw/zinc/71/94/75/385719475.db2.gz ZXDANFPXVCKDIQ-UHFFFAOYSA-N 1 2 223.276 1.063 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccon1 ZINC000309591048 385720102 /nfs/dbraw/zinc/72/01/02/385720102.db2.gz UTSPEWDZQKLWGU-QMMMGPOBSA-N 1 2 225.292 1.240 20 0 BDADLO Cc1cn[nH]c1C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000309593368 385723107 /nfs/dbraw/zinc/72/31/07/385723107.db2.gz VLJCIDKONUDPLR-JTQLQIEISA-N 1 2 222.336 1.290 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@H+](CCC3CC3)C2)O1 ZINC000408459672 385726250 /nfs/dbraw/zinc/72/62/50/385726250.db2.gz YPFLHMIIEZEULG-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCC3CC3)C2)O1 ZINC000408459672 385726252 /nfs/dbraw/zinc/72/62/52/385726252.db2.gz YPFLHMIIEZEULG-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCC3CC3)C2)o1 ZINC000408459672 385726254 /nfs/dbraw/zinc/72/62/54/385726254.db2.gz YPFLHMIIEZEULG-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCC3CC3)C2)o1 ZINC000408459672 385726256 /nfs/dbraw/zinc/72/62/56/385726256.db2.gz YPFLHMIIEZEULG-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO CC(C)n1cccc1C(=O)NCc1[nH+]ccn1C ZINC000270652267 385726753 /nfs/dbraw/zinc/72/67/53/385726753.db2.gz KKBWGHRNGKBIIB-UHFFFAOYSA-N 1 2 246.314 1.733 20 0 BDADLO C[C@H](C[NH3+])C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000262540089 385856750 /nfs/dbraw/zinc/85/67/50/385856750.db2.gz NEIRBNUXQXSUPW-MRVPVSSYSA-N 1 2 245.286 1.005 20 0 BDADLO CC1(C)SC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000283183297 385813295 /nfs/dbraw/zinc/81/32/95/385813295.db2.gz DXEYDVAZVVDSCY-SECBINFHSA-N 1 2 239.344 1.283 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(F)c1 ZINC000186955462 385818053 /nfs/dbraw/zinc/81/80/53/385818053.db2.gz PKPGGBLQSDGTTJ-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(F)c1 ZINC000186955462 385818057 /nfs/dbraw/zinc/81/80/57/385818057.db2.gz PKPGGBLQSDGTTJ-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO Cc1sccc1C(=O)N1CC[NH+](C)CC1 ZINC000294210455 385821544 /nfs/dbraw/zinc/82/15/44/385821544.db2.gz IPYSRJSRWSZDIO-UHFFFAOYSA-N 1 2 224.329 1.444 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC12CC2 ZINC000643369215 385823636 /nfs/dbraw/zinc/82/36/36/385823636.db2.gz CYSNCPXRBBCDKH-JTQLQIEISA-N 1 2 231.299 1.410 20 0 BDADLO CC[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000337917019 385825102 /nfs/dbraw/zinc/82/51/02/385825102.db2.gz RWCHIMXEBCAWGO-VIFPVBQESA-N 1 2 231.303 1.742 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000271424284 385827797 /nfs/dbraw/zinc/82/77/97/385827797.db2.gz VNAXBSUKIVBYSH-WCBMZHEXSA-N 1 2 237.303 1.263 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cn3ccccc3n2)n1 ZINC000112355530 385842036 /nfs/dbraw/zinc/84/20/36/385842036.db2.gz CVFGVELMTFJNHS-UHFFFAOYSA-N 1 2 241.298 1.358 20 0 BDADLO O=C1CCCN1CC[N@H+]1CCC=C(F)C1 ZINC000271638529 385844135 /nfs/dbraw/zinc/84/41/35/385844135.db2.gz PDWHWNDDZPOOFJ-UHFFFAOYSA-N 1 2 212.268 1.168 20 0 BDADLO O=C1CCCN1CC[N@@H+]1CCC=C(F)C1 ZINC000271638529 385844142 /nfs/dbraw/zinc/84/41/42/385844142.db2.gz PDWHWNDDZPOOFJ-UHFFFAOYSA-N 1 2 212.268 1.168 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000294384510 385844859 /nfs/dbraw/zinc/84/48/59/385844859.db2.gz XZOVVCCYQWQJQA-ZJUUUORDSA-N 1 2 221.304 1.220 20 0 BDADLO Cc1cc(C2CC[NH+]([C@H]3CCOC3=O)CC2)[nH]n1 ZINC000271671604 385846719 /nfs/dbraw/zinc/84/67/19/385846719.db2.gz XGPVWZSXQAGQTO-LBPRGKRZSA-N 1 2 249.314 1.213 20 0 BDADLO Cc1cc(C2CC[NH+]([C@H]3CCOC3=O)CC2)n[nH]1 ZINC000271671604 385846723 /nfs/dbraw/zinc/84/67/23/385846723.db2.gz XGPVWZSXQAGQTO-LBPRGKRZSA-N 1 2 249.314 1.213 20 0 BDADLO CC(C)CONC(=O)N(C)Cc1[nH+]ccn1C ZINC000271745123 385848499 /nfs/dbraw/zinc/84/84/99/385848499.db2.gz DIZUHFJEAHVHFN-UHFFFAOYSA-N 1 2 240.307 1.149 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000618874103 385853805 /nfs/dbraw/zinc/85/38/05/385853805.db2.gz KPIFOOVLGMVHAF-AAEUAGOBSA-N 1 2 247.342 1.750 20 0 BDADLO CC1=C[C@@H](C)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337944782 385854111 /nfs/dbraw/zinc/85/41/11/385854111.db2.gz UEFQQYQQMVBROP-SECBINFHSA-N 1 2 243.314 1.766 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](CO)C1 ZINC000271126274 385789858 /nfs/dbraw/zinc/78/98/58/385789858.db2.gz LFNHJAFEHZVNDS-LLVKDONJSA-N 1 2 249.314 1.626 20 0 BDADLO COC[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000271125343 385790893 /nfs/dbraw/zinc/79/08/93/385790893.db2.gz KRXPTLIQVWSAHO-NSHDSACASA-N 1 2 249.314 1.890 20 0 BDADLO CSc1cncc(NCc2[nH+]ccn2C)n1 ZINC000336707040 385791262 /nfs/dbraw/zinc/79/12/62/385791262.db2.gz QBSIMAMHDAQPGV-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000294054637 385794677 /nfs/dbraw/zinc/79/46/77/385794677.db2.gz KRWDTUDIXLNCAA-ZJUUUORDSA-N 1 2 207.277 1.140 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000289964657 385797540 /nfs/dbraw/zinc/79/75/40/385797540.db2.gz CTEVHSDGKQSSQN-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CC(C)C[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000232628112 385883713 /nfs/dbraw/zinc/88/37/13/385883713.db2.gz RKGNEFPIJSOJQG-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)C[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000232628112 385883715 /nfs/dbraw/zinc/88/37/15/385883715.db2.gz RKGNEFPIJSOJQG-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)CCCC(=O)NCc1[nH+]ccn1C ZINC000294703852 385885778 /nfs/dbraw/zinc/88/57/78/385885778.db2.gz VLPIADHDGRECHD-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO CCC[C@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000336721076 385891274 /nfs/dbraw/zinc/89/12/74/385891274.db2.gz DHERHRSZISMWIM-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H](C)CO ZINC000285018140 385893592 /nfs/dbraw/zinc/89/35/92/385893592.db2.gz ZBLUHBHWMZVDIF-SECBINFHSA-N 1 2 223.276 1.235 20 0 BDADLO CON(CCn1cc[nH+]c1)CC(C)(C)C ZINC000285462132 385928995 /nfs/dbraw/zinc/92/89/95/385928995.db2.gz JTNQEMKVMLOYNF-UHFFFAOYSA-N 1 2 211.309 1.793 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)no1 ZINC000228885865 385897537 /nfs/dbraw/zinc/89/75/37/385897537.db2.gz NXGLFTZZJUUDDP-GXSJLCMTSA-N 1 2 239.319 1.503 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)no1 ZINC000228885865 385897541 /nfs/dbraw/zinc/89/75/41/385897541.db2.gz NXGLFTZZJUUDDP-GXSJLCMTSA-N 1 2 239.319 1.503 20 0 BDADLO CC[C@@H](CNc1cc(CO)cc[nH+]1)OC ZINC000308857997 385899235 /nfs/dbraw/zinc/89/92/35/385899235.db2.gz UMPFHFMZXARLCE-JTQLQIEISA-N 1 2 210.277 1.411 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000408393592 385910119 /nfs/dbraw/zinc/91/01/19/385910119.db2.gz ICZGWOCUVOGLMY-LBPRGKRZSA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@](C)(O)C2)[nH]1 ZINC000408393592 385910121 /nfs/dbraw/zinc/91/01/21/385910121.db2.gz ICZGWOCUVOGLMY-LBPRGKRZSA-N 1 2 238.335 1.059 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cn(C)nn1 ZINC000335033923 385923175 /nfs/dbraw/zinc/92/31/75/385923175.db2.gz SQWLELMYSUAJJH-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cn(C)nn1 ZINC000335033923 385923179 /nfs/dbraw/zinc/92/31/79/385923179.db2.gz SQWLELMYSUAJJH-BDAKNGLRSA-N 1 2 226.349 1.141 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285404395 385924090 /nfs/dbraw/zinc/92/40/90/385924090.db2.gz UGVDILNTPKGUKD-SNVBAGLBSA-N 1 2 235.283 1.930 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000285404395 385924098 /nfs/dbraw/zinc/92/40/98/385924098.db2.gz UGVDILNTPKGUKD-SNVBAGLBSA-N 1 2 235.283 1.930 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342095217 385924977 /nfs/dbraw/zinc/92/49/77/385924977.db2.gz LOHJTRARZOHZIU-UTUOFQBUSA-N 1 2 240.347 1.154 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342095217 385924982 /nfs/dbraw/zinc/92/49/82/385924982.db2.gz LOHJTRARZOHZIU-UTUOFQBUSA-N 1 2 240.347 1.154 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342101198 385927008 /nfs/dbraw/zinc/92/70/08/385927008.db2.gz QZIODGIBMFHXFU-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342101198 385927014 /nfs/dbraw/zinc/92/70/14/385927014.db2.gz QZIODGIBMFHXFU-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CCc1ccc(C[NH+]2CCOCC2)nc1 ZINC000334469556 385862189 /nfs/dbraw/zinc/86/21/89/385862189.db2.gz ZKACUPURQYOHIG-UHFFFAOYSA-N 1 2 206.289 1.476 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)o1 ZINC000365939802 385864090 /nfs/dbraw/zinc/86/40/90/385864090.db2.gz CXRQVHQUXNSNIS-NSHDSACASA-N 1 2 249.314 1.140 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)o1 ZINC000365939802 385864094 /nfs/dbraw/zinc/86/40/94/385864094.db2.gz CXRQVHQUXNSNIS-NSHDSACASA-N 1 2 249.314 1.140 20 0 BDADLO COC1(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000648395483 385868946 /nfs/dbraw/zinc/86/89/46/385868946.db2.gz DBTVVEUUFDHHSR-UHFFFAOYSA-N 1 2 231.255 1.452 20 0 BDADLO CCOC[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284465209 385871062 /nfs/dbraw/zinc/87/10/62/385871062.db2.gz SEVRNZKVGLEECI-PGLGOXFNSA-N 1 2 249.314 1.308 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284548653 385874465 /nfs/dbraw/zinc/87/44/65/385874465.db2.gz XQTVDPCOTVLMRO-SKNSLPIRSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2CCn3cncc3C2)O1 ZINC000647940568 385876844 /nfs/dbraw/zinc/87/68/44/385876844.db2.gz HVTGOFUPYWDBHY-JQWIXIFHSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+]2CCn3cncc3C2)O1 ZINC000647940568 385876846 /nfs/dbraw/zinc/87/68/46/385876846.db2.gz HVTGOFUPYWDBHY-JQWIXIFHSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@H]1CC[C@@H](CN2CCn3c[nH+]cc3C2)O1 ZINC000647940568 385876849 /nfs/dbraw/zinc/87/68/49/385876849.db2.gz HVTGOFUPYWDBHY-JQWIXIFHSA-N 1 2 221.304 1.266 20 0 BDADLO COCc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000294960256 385928361 /nfs/dbraw/zinc/92/83/61/385928361.db2.gz IFKOKDIGWBPNGZ-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO COCc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000294960256 385928366 /nfs/dbraw/zinc/92/83/66/385928366.db2.gz IFKOKDIGWBPNGZ-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CCCC2 ZINC000334292103 385980511 /nfs/dbraw/zinc/98/05/11/385980511.db2.gz MZUZLTODIGVLKK-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO C[N@H+](CC(=O)NCC1CCC1)Cc1ccoc1 ZINC000343037061 385984422 /nfs/dbraw/zinc/98/44/22/385984422.db2.gz DHVKBAUMLVITMW-UHFFFAOYSA-N 1 2 236.315 1.628 20 0 BDADLO C[N@@H+](CC(=O)NCC1CCC1)Cc1ccoc1 ZINC000343037061 385984430 /nfs/dbraw/zinc/98/44/30/385984430.db2.gz DHVKBAUMLVITMW-UHFFFAOYSA-N 1 2 236.315 1.628 20 0 BDADLO CC(C)(CNC(=O)CC1CC1)[NH+]1CCOCC1 ZINC000345071808 385985358 /nfs/dbraw/zinc/98/53/58/385985358.db2.gz GMXSENXKQGDELL-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1c[nH+]c(CNc2cnn(C)c2C)n1C ZINC000336748883 385987731 /nfs/dbraw/zinc/98/77/31/385987731.db2.gz YHEWAQCSNSRGDA-UHFFFAOYSA-N 1 2 219.292 1.383 20 0 BDADLO Cc1nc(NCC(C2CC2)C2CC2)nc(N)[nH+]1 ZINC000306084995 385989954 /nfs/dbraw/zinc/98/99/54/385989954.db2.gz JPGQYSZXVYPYNB-UHFFFAOYSA-N 1 2 233.319 1.610 20 0 BDADLO Cc1nc(N)nc(NCC(C2CC2)C2CC2)[nH+]1 ZINC000306084995 385989961 /nfs/dbraw/zinc/98/99/61/385989961.db2.gz JPGQYSZXVYPYNB-UHFFFAOYSA-N 1 2 233.319 1.610 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)o1 ZINC000273356465 385991777 /nfs/dbraw/zinc/99/17/77/385991777.db2.gz CGMNRCWIGSRPDN-UHFFFAOYSA-N 1 2 249.270 1.219 20 0 BDADLO C[C@@H](O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000414145240 385992654 /nfs/dbraw/zinc/99/26/54/385992654.db2.gz PGETTYBAFCCMTO-SNVBAGLBSA-N 1 2 218.256 1.632 20 0 BDADLO CO[C@@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000336768285 385941876 /nfs/dbraw/zinc/94/18/76/385941876.db2.gz QSIRJUPRUVRAGU-ZETCQYMHSA-N 1 2 220.276 1.135 20 0 BDADLO Cc1cncc(C[NH2+]Cc2cn(C(C)C)nn2)c1 ZINC000342188566 385942620 /nfs/dbraw/zinc/94/26/20/385942620.db2.gz NLTSDIWLHMDTSW-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO CN(C)c1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000285596715 385947057 /nfs/dbraw/zinc/94/70/57/385947057.db2.gz UHHJZIPTVQXYPP-LLVKDONJSA-N 1 2 246.314 1.787 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@](C)(F)C2)nn1 ZINC000338284389 385948832 /nfs/dbraw/zinc/94/88/32/385948832.db2.gz PHCZWWRGSNWFHF-LLVKDONJSA-N 1 2 225.267 1.419 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@](C)(F)C2)nn1 ZINC000338284389 385948839 /nfs/dbraw/zinc/94/88/39/385948839.db2.gz PHCZWWRGSNWFHF-LLVKDONJSA-N 1 2 225.267 1.419 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CC2(F)F)cc(C)[nH+]1 ZINC000335052691 385952368 /nfs/dbraw/zinc/95/23/68/385952368.db2.gz GJDRNYURCAKJBP-SNVBAGLBSA-N 1 2 240.253 1.970 20 0 BDADLO Cc1ocnc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000335055354 385954586 /nfs/dbraw/zinc/95/45/86/385954586.db2.gz AITSZOQADDOGOS-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000643250810 385955936 /nfs/dbraw/zinc/95/59/36/385955936.db2.gz CCQQPXGGELDFOV-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nn(C)cc1Cl ZINC000643250810 385955943 /nfs/dbraw/zinc/95/59/43/385955943.db2.gz CCQQPXGGELDFOV-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCOC2)c[nH+]1 ZINC000335057630 385959160 /nfs/dbraw/zinc/95/91/60/385959160.db2.gz KGFGXMFBANDZHW-LLVKDONJSA-N 1 2 234.299 1.351 20 0 BDADLO O=C1CCN(C[NH2+]Cc2ccccc2F)CC1 ZINC000273011534 385960801 /nfs/dbraw/zinc/96/08/01/385960801.db2.gz BEWJKNMJFATFPU-UHFFFAOYSA-N 1 2 236.290 1.538 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)s1 ZINC000338311141 385963169 /nfs/dbraw/zinc/96/31/69/385963169.db2.gz WDFALDKFRDJHLC-NRPADANISA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](O)[C@@H](C)C2)s1 ZINC000338311141 385963177 /nfs/dbraw/zinc/96/31/77/385963177.db2.gz WDFALDKFRDJHLC-NRPADANISA-N 1 2 241.360 1.610 20 0 BDADLO COC[C@@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000273064287 385966949 /nfs/dbraw/zinc/96/69/49/385966949.db2.gz YTJDUIZGZPWGCL-SNVBAGLBSA-N 1 2 237.303 1.427 20 0 BDADLO C[C@H](C[S@](C)=O)Nc1cc[nH+]c2ccncc12 ZINC000273109957 385968059 /nfs/dbraw/zinc/96/80/59/385968059.db2.gz GFJARWDAKCAILL-XLFHBGCDSA-N 1 2 249.339 1.809 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000644850091 385968153 /nfs/dbraw/zinc/96/81/53/385968153.db2.gz OXWUEVZJYBBDOG-ZSBIGDGJSA-N 1 2 233.315 1.578 20 0 BDADLO Cc1oncc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000189429936 386000877 /nfs/dbraw/zinc/00/08/77/386000877.db2.gz CHVPJMKSZWEZBX-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1oncc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000189429936 386000884 /nfs/dbraw/zinc/00/08/84/386000884.db2.gz CHVPJMKSZWEZBX-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO C[N@H+](Cc1c(F)ccc(O)c1F)CC(C)(C)O ZINC000295262662 386003000 /nfs/dbraw/zinc/00/30/00/386003000.db2.gz HBCPLQXWRNBCGO-UHFFFAOYSA-N 1 2 245.269 1.873 20 0 BDADLO C[N@@H+](Cc1c(F)ccc(O)c1F)CC(C)(C)O ZINC000295262662 386003002 /nfs/dbraw/zinc/00/30/02/386003002.db2.gz HBCPLQXWRNBCGO-UHFFFAOYSA-N 1 2 245.269 1.873 20 0 BDADLO CC[C@@H](CCO)CNc1nc[nH+]c(N)c1Cl ZINC000233878776 386007803 /nfs/dbraw/zinc/00/78/03/386007803.db2.gz ORSCUMCUCIREEY-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO CC[C@@H](CCO)CNc1[nH+]cnc(N)c1Cl ZINC000233878776 386007809 /nfs/dbraw/zinc/00/78/09/386007809.db2.gz ORSCUMCUCIREEY-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1nnc2n1CCC2 ZINC000273523666 386009758 /nfs/dbraw/zinc/00/97/58/386009758.db2.gz XGOWMTDGIRBERP-VIFPVBQESA-N 1 2 229.287 1.792 20 0 BDADLO CC(C)(CNc1cccc[nH+]1)[C@@]1(O)CCOC1 ZINC000645368904 386056227 /nfs/dbraw/zinc/05/62/27/386056227.db2.gz REKWAUUNYYRJHJ-CYBMUJFWSA-N 1 2 236.315 1.671 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cncs2)n1 ZINC000336770196 386011190 /nfs/dbraw/zinc/01/11/90/386011190.db2.gz WJBMGNLVGOZJHI-LURJTMIESA-N 1 2 224.289 1.685 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCn2cc[nH+]c2)n1 ZINC000273581627 386013494 /nfs/dbraw/zinc/01/34/94/386013494.db2.gz ZEQAQGGMIXARMA-UHFFFAOYSA-N 1 2 246.270 1.321 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1CCCc2cccnc21 ZINC000365294320 386015860 /nfs/dbraw/zinc/01/58/60/386015860.db2.gz WEQWRRCQQRJCMZ-LLVKDONJSA-N 1 2 234.299 1.564 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1CCCc2cccnc21 ZINC000365294320 386015863 /nfs/dbraw/zinc/01/58/63/386015863.db2.gz WEQWRRCQQRJCMZ-LLVKDONJSA-N 1 2 234.299 1.564 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCC(F)(F)F)n1 ZINC000336752411 386017181 /nfs/dbraw/zinc/01/71/81/386017181.db2.gz GVRHYIMFNMUEBH-RXMQYKEDSA-N 1 2 223.198 1.981 20 0 BDADLO CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1cccc[nH+]1 ZINC000286271737 386017850 /nfs/dbraw/zinc/01/78/50/386017850.db2.gz BZAKZPKLOVBTQW-QWRGUYRKSA-N 1 2 238.331 1.652 20 0 BDADLO CCC[C@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000286270087 386017899 /nfs/dbraw/zinc/01/78/99/386017899.db2.gz FNYWMWWBEAKWBD-VIFPVBQESA-N 1 2 234.303 1.420 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC[C@@H](C)O ZINC000647869726 386023082 /nfs/dbraw/zinc/02/30/82/386023082.db2.gz QMUVOFXLWSEJNO-SECBINFHSA-N 1 2 209.293 1.301 20 0 BDADLO COC(=O)C(C)(C)CC[N@H+](C)Cc1ccon1 ZINC000338548829 386041515 /nfs/dbraw/zinc/04/15/15/386041515.db2.gz ZBQVDMAHHBFXQA-UHFFFAOYSA-N 1 2 240.303 1.696 20 0 BDADLO COC(=O)C(C)(C)CC[N@@H+](C)Cc1ccon1 ZINC000338548829 386041520 /nfs/dbraw/zinc/04/15/20/386041520.db2.gz ZBQVDMAHHBFXQA-UHFFFAOYSA-N 1 2 240.303 1.696 20 0 BDADLO CC(=O)c1cccc(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000295532215 386046852 /nfs/dbraw/zinc/04/68/52/386046852.db2.gz IZUPLWYBQXKZJN-AWEZNQCLSA-N 1 2 249.310 1.082 20 0 BDADLO CC(=O)c1cccc(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000295532215 386046855 /nfs/dbraw/zinc/04/68/55/386046855.db2.gz IZUPLWYBQXKZJN-AWEZNQCLSA-N 1 2 249.310 1.082 20 0 BDADLO c1nnc(NCc2cn3c([nH+]2)CCCC3)s1 ZINC000295545401 386050152 /nfs/dbraw/zinc/05/01/52/386050152.db2.gz OUMBDSKFXUUPOY-UHFFFAOYSA-N 1 2 235.316 1.683 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)cn2)[C@@H](C)C1 ZINC000334432394 386050650 /nfs/dbraw/zinc/05/06/50/386050650.db2.gz CJHLCNSSJIAJAL-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)cn2)[C@@H](C)C1 ZINC000334432394 386050653 /nfs/dbraw/zinc/05/06/53/386050653.db2.gz CJHLCNSSJIAJAL-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO c1cn(C2CN(c3[nH]c4ccccc4[nH+]3)C2)nn1 ZINC000338686965 386101618 /nfs/dbraw/zinc/10/16/18/386101618.db2.gz AGOJMGFWSLOCPO-UHFFFAOYSA-N 1 2 240.270 1.216 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2cnccc2C)[nH]1 ZINC000274586418 386123533 /nfs/dbraw/zinc/12/35/33/386123533.db2.gz GNSBXHWSNNDFNU-JTQLQIEISA-N 1 2 245.330 1.921 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)on1 ZINC000274454079 386105178 /nfs/dbraw/zinc/10/51/78/386105178.db2.gz LGEMOASTJMFJBE-VFZGTOFNSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)on1 ZINC000274454079 386105180 /nfs/dbraw/zinc/10/51/80/386105180.db2.gz LGEMOASTJMFJBE-VFZGTOFNSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000295934427 386108615 /nfs/dbraw/zinc/10/86/15/386108615.db2.gz FWNMNYDJHWGDDQ-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000295934427 386108619 /nfs/dbraw/zinc/10/86/19/386108619.db2.gz FWNMNYDJHWGDDQ-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cc(F)ncc1F ZINC000295954634 386111800 /nfs/dbraw/zinc/11/18/00/386111800.db2.gz HINBENIPSFFTBG-QMMMGPOBSA-N 1 2 230.258 1.827 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cc(F)ncc1F ZINC000295954634 386111804 /nfs/dbraw/zinc/11/18/04/386111804.db2.gz HINBENIPSFFTBG-QMMMGPOBSA-N 1 2 230.258 1.827 20 0 BDADLO COC[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287298737 386112095 /nfs/dbraw/zinc/11/20/95/386112095.db2.gz IYCITBAJHOJTTK-JTQLQIEISA-N 1 2 241.718 1.663 20 0 BDADLO COC[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287298737 386112098 /nfs/dbraw/zinc/11/20/98/386112098.db2.gz IYCITBAJHOJTTK-JTQLQIEISA-N 1 2 241.718 1.663 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(C(C)=O)cc1 ZINC000295980885 386116127 /nfs/dbraw/zinc/11/61/27/386116127.db2.gz LCQLQVUTUHKYPF-UHFFFAOYSA-N 1 2 234.299 1.196 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(C(C)=O)cc1 ZINC000295980885 386116131 /nfs/dbraw/zinc/11/61/31/386116131.db2.gz LCQLQVUTUHKYPF-UHFFFAOYSA-N 1 2 234.299 1.196 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCC2(CC2)C1 ZINC000274549132 386117110 /nfs/dbraw/zinc/11/71/10/386117110.db2.gz ADGKRFZFZCNQSK-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2ncc[nH]2)O1 ZINC000647930009 386121022 /nfs/dbraw/zinc/12/10/22/386121022.db2.gz LXKNXGHOCHXHNO-VHSXEESVSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2ncc[nH]2)O1 ZINC000647930009 386121025 /nfs/dbraw/zinc/12/10/25/386121025.db2.gz LXKNXGHOCHXHNO-VHSXEESVSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000338600213 386072833 /nfs/dbraw/zinc/07/28/33/386072833.db2.gz SMWGFVMAAVXBBG-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000338600213 386072840 /nfs/dbraw/zinc/07/28/40/386072840.db2.gz SMWGFVMAAVXBBG-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@H]1CO ZINC000287442780 386122472 /nfs/dbraw/zinc/12/24/72/386122472.db2.gz HMHAWJCDDOGEDZ-NSHDSACASA-N 1 2 249.314 1.687 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000345262375 386084160 /nfs/dbraw/zinc/08/41/60/386084160.db2.gz HSWVXHBXBFDBRC-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO c1cc2[nH+]ccc(N3CCO[C@@H]4C[C@@H]43)c2cn1 ZINC000366115283 386085938 /nfs/dbraw/zinc/08/59/38/386085938.db2.gz ZWYBYHNQXYOCPE-QWHCGFSZSA-N 1 2 227.267 1.607 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000334449119 386087525 /nfs/dbraw/zinc/08/75/25/386087525.db2.gz PMZXBHJUPVCLDH-SNVBAGLBSA-N 1 2 248.330 1.597 20 0 BDADLO CCCCC(=O)NCc1[nH+]ccn1CC ZINC000295823827 386089317 /nfs/dbraw/zinc/08/93/17/386089317.db2.gz UKLCBABGMSSDIR-UHFFFAOYSA-N 1 2 209.293 1.709 20 0 BDADLO C[C@H]1[C@H](NCc2ccco2)CCC[N@H+]1C ZINC000336772954 386092410 /nfs/dbraw/zinc/09/24/10/386092410.db2.gz YNOQDFZQENWEEB-CMPLNLGQSA-N 1 2 208.305 1.852 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC000296021527 386123192 /nfs/dbraw/zinc/12/31/92/386123192.db2.gz MLHUYRRACJYAAL-LLVKDONJSA-N 1 2 211.284 1.744 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC000296021527 386123199 /nfs/dbraw/zinc/12/31/99/386123199.db2.gz MLHUYRRACJYAAL-LLVKDONJSA-N 1 2 211.284 1.744 20 0 BDADLO Cn1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000335156165 386150778 /nfs/dbraw/zinc/15/07/78/386150778.db2.gz JYNYAWZKZLLJED-UWVGGRQHSA-N 1 2 209.318 1.110 20 0 BDADLO Cn1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000335156165 386150783 /nfs/dbraw/zinc/15/07/83/386150783.db2.gz JYNYAWZKZLLJED-UWVGGRQHSA-N 1 2 209.318 1.110 20 0 BDADLO CCC[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000296268353 386156092 /nfs/dbraw/zinc/15/60/92/386156092.db2.gz YKMSIONSYGNSEX-MVIFTORASA-N 1 2 237.303 1.354 20 0 BDADLO CCN(CC(F)F)C(=O)CCc1[nH]cc[nH+]1 ZINC000288002214 386161575 /nfs/dbraw/zinc/16/15/75/386161575.db2.gz XWMQIACOURNPJV-UHFFFAOYSA-N 1 2 231.246 1.456 20 0 BDADLO Cc1coc(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000334477967 386163919 /nfs/dbraw/zinc/16/39/19/386163919.db2.gz PXTHYOWHLCKZNE-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO CCC1(C)CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000310288514 386168711 /nfs/dbraw/zinc/16/87/11/386168711.db2.gz YKAFKJREBMEWHR-UHFFFAOYSA-N 1 2 235.335 1.779 20 0 BDADLO CCC1(C)CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000310288514 386168715 /nfs/dbraw/zinc/16/87/15/386168715.db2.gz YKAFKJREBMEWHR-UHFFFAOYSA-N 1 2 235.335 1.779 20 0 BDADLO CSCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000288155080 386170519 /nfs/dbraw/zinc/17/05/19/386170519.db2.gz VTRQRGHKAQGGHM-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO CSCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000346167188 386173651 /nfs/dbraw/zinc/17/36/51/386173651.db2.gz AXALMCBYKOULLH-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO Clc1cncnc1NCCCn1cc[nH+]c1 ZINC000163580542 386174755 /nfs/dbraw/zinc/17/47/55/386174755.db2.gz SUTMWGVPRCTWLJ-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO COC(=O)[C@H](C)SCc1c[nH+]cn1C ZINC000275096418 386179095 /nfs/dbraw/zinc/17/90/95/386179095.db2.gz NLPBKWAMAFDRIQ-ZETCQYMHSA-N 1 2 214.290 1.215 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnccc2OC)CCO1 ZINC000287513429 386128641 /nfs/dbraw/zinc/12/86/41/386128641.db2.gz YPVSAXVHUBHCCR-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnccc2OC)CCO1 ZINC000287513429 386128646 /nfs/dbraw/zinc/12/86/46/386128646.db2.gz YPVSAXVHUBHCCR-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CO[C@@H](CNc1[nH+]c(C)nc2[nH]ccc21)C1CC1 ZINC000338779253 386129843 /nfs/dbraw/zinc/12/98/43/386129843.db2.gz UZQGQUUFDGMAMW-NSHDSACASA-N 1 2 246.314 1.525 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000310128797 386130272 /nfs/dbraw/zinc/13/02/72/386130272.db2.gz YBHYEIHWXRPNMU-NQMVMOMDSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H](C)[C@H]2C)[nH+]1 ZINC000310128797 386130282 /nfs/dbraw/zinc/13/02/82/386130282.db2.gz YBHYEIHWXRPNMU-NQMVMOMDSA-N 1 2 235.335 1.999 20 0 BDADLO CO[C@H](CNc1[nH+]c(C)nc2[nH]ccc21)C1CC1 ZINC000338779251 386130345 /nfs/dbraw/zinc/13/03/45/386130345.db2.gz UZQGQUUFDGMAMW-LLVKDONJSA-N 1 2 246.314 1.525 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCOC1CCC1 ZINC000287697608 386142142 /nfs/dbraw/zinc/14/21/42/386142142.db2.gz JARJLBVMPWNUBU-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCOC1CCC1 ZINC000287697608 386142147 /nfs/dbraw/zinc/14/21/47/386142147.db2.gz JARJLBVMPWNUBU-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@]1(C)CCOC1 ZINC000287697149 386143445 /nfs/dbraw/zinc/14/34/45/386143445.db2.gz ZGNHGQBFYOELJX-CYBMUJFWSA-N 1 2 249.314 1.999 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCOC1CCC1 ZINC000347059931 386209523 /nfs/dbraw/zinc/20/95/23/386209523.db2.gz SEUIKKDTQOOADS-OHUAYANFSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCOC1CCC1 ZINC000347059931 386209528 /nfs/dbraw/zinc/20/95/28/386209528.db2.gz SEUIKKDTQOOADS-OHUAYANFSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@H](O)c1ccccc1 ZINC000288539855 386212173 /nfs/dbraw/zinc/21/21/73/386212173.db2.gz KSYBQIUVIGCIAI-GWCFXTLKSA-N 1 2 231.299 1.621 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](O)C(C)(C)C)C(=O)OC ZINC000340287857 386215510 /nfs/dbraw/zinc/21/55/10/386215510.db2.gz QGRCBZRZLFZYMQ-MFKMUULPSA-N 1 2 245.363 1.715 20 0 BDADLO CC[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000340556824 386220001 /nfs/dbraw/zinc/22/00/01/386220001.db2.gz KAOMSYQIJDAWCX-NSHDSACASA-N 1 2 221.304 1.674 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC=CCC1 ZINC000264231390 386220119 /nfs/dbraw/zinc/22/01/19/386220119.db2.gz VQGXLFQHDYYUFV-LLVKDONJSA-N 1 2 248.330 1.576 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347036443 386226966 /nfs/dbraw/zinc/22/69/66/386226966.db2.gz GXMYKEGXWNCNDV-NQBHXWOUSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000347036443 386226968 /nfs/dbraw/zinc/22/69/68/386226968.db2.gz GXMYKEGXWNCNDV-NQBHXWOUSA-N 1 2 236.315 1.224 20 0 BDADLO CCCc1noc(C[NH2+][C@H](C)Cn2cccn2)n1 ZINC000264369011 386228655 /nfs/dbraw/zinc/22/86/55/386228655.db2.gz MEUCRGBHORQYDI-SNVBAGLBSA-N 1 2 249.318 1.397 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000288859256 386236828 /nfs/dbraw/zinc/23/68/28/386236828.db2.gz PSHKGPNAIGBTOG-UHFFFAOYSA-N 1 2 231.299 1.962 20 0 BDADLO Cn1ccc(C[N@H+]2CCCc3occc3C2)n1 ZINC000288859256 386236832 /nfs/dbraw/zinc/23/68/32/386236832.db2.gz PSHKGPNAIGBTOG-UHFFFAOYSA-N 1 2 231.299 1.962 20 0 BDADLO CCC[C@@](C)(O)CNc1[nH+]cnc2c1cnn2C ZINC000226234184 386239519 /nfs/dbraw/zinc/23/95/19/386239519.db2.gz ZXAVJJKNAWIJEM-GFCCVEGCSA-N 1 2 249.318 1.326 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000339091520 386244324 /nfs/dbraw/zinc/24/43/24/386244324.db2.gz BWONIVDTCBIUOE-ZDUSSCGKSA-N 1 2 248.326 1.106 20 0 BDADLO CC[C@H](O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000339091520 386244325 /nfs/dbraw/zinc/24/43/25/386244325.db2.gz BWONIVDTCBIUOE-ZDUSSCGKSA-N 1 2 248.326 1.106 20 0 BDADLO CCOc1nnc(C[N@@H+]2CCC[C@@H]2C)s1 ZINC000336642637 386245792 /nfs/dbraw/zinc/24/57/92/386245792.db2.gz AMUDNBOIMSQIDJ-QMMMGPOBSA-N 1 2 227.333 1.921 20 0 BDADLO CCOc1nnc(C[N@H+]2CCC[C@@H]2C)s1 ZINC000336642637 386245799 /nfs/dbraw/zinc/24/57/99/386245799.db2.gz AMUDNBOIMSQIDJ-QMMMGPOBSA-N 1 2 227.333 1.921 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264555334 386245867 /nfs/dbraw/zinc/24/58/67/386245867.db2.gz ZDEMSTDUAILNQT-LLVKDONJSA-N 1 2 244.298 1.758 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](C)C2)no1 ZINC000336648150 386256975 /nfs/dbraw/zinc/25/69/75/386256975.db2.gz NNPAYFYWYWRINV-SECBINFHSA-N 1 2 209.293 1.864 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](C)C2)no1 ZINC000336648150 386256981 /nfs/dbraw/zinc/25/69/81/386256981.db2.gz NNPAYFYWYWRINV-SECBINFHSA-N 1 2 209.293 1.864 20 0 BDADLO C[N@H+](CCc1cn[nH]c1)CC(=O)OC(C)(C)C ZINC000297990306 386288598 /nfs/dbraw/zinc/28/85/98/386288598.db2.gz YSSUMXLWGOLRAS-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO C[N@@H+](CCc1cn[nH]c1)CC(=O)OC(C)(C)C ZINC000297990306 386288603 /nfs/dbraw/zinc/28/86/03/386288603.db2.gz YSSUMXLWGOLRAS-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO Cc1nc(-c2noc(CCn3cc[nH+]c3)n2)co1 ZINC000289378810 386293457 /nfs/dbraw/zinc/29/34/57/386293457.db2.gz KUBUAIDYBQFNSD-UHFFFAOYSA-N 1 2 245.242 1.472 20 0 BDADLO Cn1ncc(C[NH2+][C@H](CCO)c2ccccc2)n1 ZINC000289380575 386293535 /nfs/dbraw/zinc/29/35/35/386293535.db2.gz PMWIEPDGTWZFEQ-CYBMUJFWSA-N 1 2 246.314 1.028 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)cc(C)c1O ZINC000289395061 386294971 /nfs/dbraw/zinc/29/49/71/386294971.db2.gz RISYUNJAAHKKOD-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)cc(C)c1O ZINC000289395061 386294976 /nfs/dbraw/zinc/29/49/76/386294976.db2.gz RISYUNJAAHKKOD-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc(C)c1O ZINC000289395062 386296094 /nfs/dbraw/zinc/29/60/94/386296094.db2.gz RISYUNJAAHKKOD-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)cc(C)c1O ZINC000289395062 386296099 /nfs/dbraw/zinc/29/60/99/386296099.db2.gz RISYUNJAAHKKOD-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Cc1ncc(C(=O)N2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000265076103 386302484 /nfs/dbraw/zinc/30/24/84/386302484.db2.gz PANBEAQCWXLWJK-UHFFFAOYSA-N 1 2 248.330 1.028 20 0 BDADLO Cc1c[nH]nc1CNc1ccc(N(C)C)c[nH+]1 ZINC000289433250 386305656 /nfs/dbraw/zinc/30/56/56/386305656.db2.gz FAYXPYXNFVGQBR-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO CC[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339230439 386306610 /nfs/dbraw/zinc/30/66/10/386306610.db2.gz HUFMXUNYMQFIFI-RYUDHWBXSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339230439 386306616 /nfs/dbraw/zinc/30/66/16/386306616.db2.gz HUFMXUNYMQFIFI-RYUDHWBXSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)c1nn(C)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000265117720 386308078 /nfs/dbraw/zinc/30/80/78/386308078.db2.gz MSASDQSDGCVEEK-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CCc1c(C(=O)NCCn2cc[nH+]c2)ccn1C ZINC000289458039 386311600 /nfs/dbraw/zinc/31/16/00/386311600.db2.gz GPELPQDCLIKUMI-UHFFFAOYSA-N 1 2 246.314 1.214 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(F)cn2)cn1 ZINC000276377348 386311654 /nfs/dbraw/zinc/31/16/54/386311654.db2.gz PONMJBHDALGHBO-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cn2)cn1 ZINC000276377348 386311659 /nfs/dbraw/zinc/31/16/59/386311659.db2.gz PONMJBHDALGHBO-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000276379562 386313722 /nfs/dbraw/zinc/31/37/22/386313722.db2.gz QCVAMGWYPMNNTK-STQMWFEESA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000276379562 386313728 /nfs/dbraw/zinc/31/37/28/386313728.db2.gz QCVAMGWYPMNNTK-STQMWFEESA-N 1 2 236.290 1.974 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)C(C)(C)C ZINC000265200232 386314824 /nfs/dbraw/zinc/31/48/24/386314824.db2.gz JELTYHPKHDRKBQ-SECBINFHSA-N 1 2 223.320 1.719 20 0 BDADLO CCCc1nc(COc2cc[nH+]cc2)no1 ZINC000276404104 386316966 /nfs/dbraw/zinc/31/69/66/386316966.db2.gz DRLVJNPCNNCXOY-UHFFFAOYSA-N 1 2 219.244 1.996 20 0 BDADLO CN(CCCn1cc[nH+]c1)Cc1csnn1 ZINC000289507748 386318891 /nfs/dbraw/zinc/31/88/91/386318891.db2.gz FBDQQIZKMFYKAJ-UHFFFAOYSA-N 1 2 237.332 1.257 20 0 BDADLO C[C@H](O)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000276421728 386319174 /nfs/dbraw/zinc/31/91/74/386319174.db2.gz XHFPYDFPVWRWLQ-QMMMGPOBSA-N 1 2 238.287 1.578 20 0 BDADLO CSC[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000336679941 386322654 /nfs/dbraw/zinc/32/26/54/386322654.db2.gz QZLSFGWXHPSATI-SNVBAGLBSA-N 1 2 241.360 1.953 20 0 BDADLO CSC[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000336679941 386322663 /nfs/dbraw/zinc/32/26/63/386322663.db2.gz QZLSFGWXHPSATI-SNVBAGLBSA-N 1 2 241.360 1.953 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CCCOC2)c1Cl ZINC000236392474 386262157 /nfs/dbraw/zinc/26/21/57/386262157.db2.gz KKJUBNPQPIOLIU-SSDOTTSWSA-N 1 2 242.710 1.551 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CCCOC2)c1Cl ZINC000236392474 386262161 /nfs/dbraw/zinc/26/21/61/386262161.db2.gz KKJUBNPQPIOLIU-SSDOTTSWSA-N 1 2 242.710 1.551 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCOCC1(C)C ZINC000289113537 386262724 /nfs/dbraw/zinc/26/27/24/386262724.db2.gz NDBNLACBRVCFSZ-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCOCC1(C)C ZINC000289113537 386262727 /nfs/dbraw/zinc/26/27/27/386262727.db2.gz NDBNLACBRVCFSZ-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO CCN(CCOC)c1cc[nH+]c(C2CC2)n1 ZINC000264714307 386263939 /nfs/dbraw/zinc/26/39/39/386263939.db2.gz UBTLNUAXGZXAMC-UHFFFAOYSA-N 1 2 221.304 1.827 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCCO2)c[nH+]1 ZINC000264699135 386264457 /nfs/dbraw/zinc/26/44/57/386264457.db2.gz BLSCBXPXBCQFMB-VIFPVBQESA-N 1 2 223.276 1.017 20 0 BDADLO C[C@H]1C[NH+](CCOC2CCC2)C[C@H](C)S1=O ZINC000347170595 386267474 /nfs/dbraw/zinc/26/74/74/386267474.db2.gz PNQUZQNRNSTJGR-QWRGUYRKSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@H](CC1CC1)NC(=O)CCc1c[nH+]cn1C ZINC000339163657 386269925 /nfs/dbraw/zinc/26/99/25/386269925.db2.gz HHXUNNYEFHORTO-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO CC(C)C1(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000297703235 386271999 /nfs/dbraw/zinc/27/19/99/386271999.db2.gz PRTYZBILVRQXCV-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000643333761 386274675 /nfs/dbraw/zinc/27/46/75/386274675.db2.gz QUWDHDCIVMQIKQ-LBPRGKRZSA-N 1 2 244.294 1.471 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000339171949 386274848 /nfs/dbraw/zinc/27/48/48/386274848.db2.gz XTUPKNIVXZMRKJ-GFCCVEGCSA-N 1 2 249.358 1.857 20 0 BDADLO CCN(C(=O)CCc1c[nH+]cn1C)C1CCC1 ZINC000339171423 386276234 /nfs/dbraw/zinc/27/62/34/386276234.db2.gz ORBTZDDKEKVDPP-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)[C@H]1C ZINC000416319623 386277827 /nfs/dbraw/zinc/27/78/27/386277827.db2.gz IBXKCAKHODZYQQ-VWYCJHECSA-N 1 2 235.331 1.845 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000289675843 386340969 /nfs/dbraw/zinc/34/09/69/386340969.db2.gz AQFCEJXGWROBMP-NSHDSACASA-N 1 2 231.303 1.362 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000289675843 386340975 /nfs/dbraw/zinc/34/09/75/386340975.db2.gz AQFCEJXGWROBMP-NSHDSACASA-N 1 2 231.303 1.362 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)cn2)C[C@@H](C)O1 ZINC000336682248 386342458 /nfs/dbraw/zinc/34/24/58/386342458.db2.gz DBXUKDADSPIRHD-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@@H](C)O1 ZINC000336682248 386342462 /nfs/dbraw/zinc/34/24/62/386342462.db2.gz DBXUKDADSPIRHD-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CN(c1nc(N)c2ccccc2[nH+]1)[C@H]1CCOC1 ZINC000133734274 386344720 /nfs/dbraw/zinc/34/47/20/386344720.db2.gz QFNYNHUPINOLTL-VIFPVBQESA-N 1 2 244.298 1.437 20 0 BDADLO O=S(=O)(CCCCF)Nc1cc[nH+]cc1 ZINC000289694129 386344740 /nfs/dbraw/zinc/34/47/40/386344740.db2.gz HTRCJRVSIGPVLY-UHFFFAOYSA-N 1 2 232.280 1.573 20 0 BDADLO CC(C)[NH+]1CCN(C(=O)c2cncs2)CC1 ZINC000298455083 386346181 /nfs/dbraw/zinc/34/61/81/386346181.db2.gz RQNXJTSOCFTIAI-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CC(C)=CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000276568623 386347846 /nfs/dbraw/zinc/34/78/46/386347846.db2.gz DQAOVIMDCBPCGN-UHFFFAOYSA-N 1 2 236.319 1.528 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347319577 386358593 /nfs/dbraw/zinc/35/85/93/386358593.db2.gz HXVNVERCGRTFFG-WQGACYEGSA-N 1 2 247.404 1.644 20 0 BDADLO CCCCOCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000347319577 386358599 /nfs/dbraw/zinc/35/85/99/386358599.db2.gz HXVNVERCGRTFFG-WQGACYEGSA-N 1 2 247.404 1.644 20 0 BDADLO CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000276649956 386360235 /nfs/dbraw/zinc/36/02/35/386360235.db2.gz RVFBSURGUMPLNO-UWVGGRQHSA-N 1 2 237.303 1.260 20 0 BDADLO Cc1cn2cc(NC(=O)N[C@H](C)CO)ccc2[nH+]1 ZINC000265724962 386361780 /nfs/dbraw/zinc/36/17/80/386361780.db2.gz QIFCPFCZPCLUBB-SECBINFHSA-N 1 2 248.286 1.145 20 0 BDADLO c1csc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000647933662 386368717 /nfs/dbraw/zinc/36/87/17/386368717.db2.gz XCKCPSVEOJWFGB-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO CC[C@H](OC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265794254 386369675 /nfs/dbraw/zinc/36/96/75/386369675.db2.gz JCVOBFMXVRYDNF-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnn(C)n2)cc1 ZINC000289916939 386370499 /nfs/dbraw/zinc/37/04/99/386370499.db2.gz OJKFHQPUIYGHJX-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnn(C)n2)cc1 ZINC000289916939 386370503 /nfs/dbraw/zinc/37/05/03/386370503.db2.gz OJKFHQPUIYGHJX-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CCC[C@@H]1CCC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000336690278 386371669 /nfs/dbraw/zinc/37/16/69/386371669.db2.gz AUVDMOLSXZPGOX-SNVBAGLBSA-N 1 2 249.314 1.485 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccsc2)nc(N)[nH+]1 ZINC000201438031 386373339 /nfs/dbraw/zinc/37/33/39/386373339.db2.gz IOGTXUPPVXINDY-LURJTMIESA-N 1 2 235.316 1.997 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)c2ccsc2)[nH+]1 ZINC000201438031 386373342 /nfs/dbraw/zinc/37/33/42/386373342.db2.gz IOGTXUPPVXINDY-LURJTMIESA-N 1 2 235.316 1.997 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@@H]1OC ZINC000276783601 386373990 /nfs/dbraw/zinc/37/39/90/386373990.db2.gz AUEDGVZVWIIYAC-AOOOYVTPSA-N 1 2 242.344 1.297 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@@H]1OC ZINC000276783601 386373999 /nfs/dbraw/zinc/37/39/99/386373999.db2.gz AUEDGVZVWIIYAC-AOOOYVTPSA-N 1 2 242.344 1.297 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000347386120 386375630 /nfs/dbraw/zinc/37/56/30/386375630.db2.gz AVRBUNFEEYVOGU-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000336696922 386377312 /nfs/dbraw/zinc/37/73/12/386377312.db2.gz JWUROJOMMLUDFM-JTQLQIEISA-N 1 2 239.319 1.489 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000336696922 386377318 /nfs/dbraw/zinc/37/73/18/386377318.db2.gz JWUROJOMMLUDFM-JTQLQIEISA-N 1 2 239.319 1.489 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347392765 386379276 /nfs/dbraw/zinc/37/92/76/386379276.db2.gz UPMZSXHCODFUBW-WCBMZHEXSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@](C)(F)C1 ZINC000347392765 386379283 /nfs/dbraw/zinc/37/92/83/386379283.db2.gz UPMZSXHCODFUBW-WCBMZHEXSA-N 1 2 203.257 1.372 20 0 BDADLO CN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000334494971 386379406 /nfs/dbraw/zinc/37/94/06/386379406.db2.gz BQWXILCBCOXKBW-SECBINFHSA-N 1 2 242.706 1.596 20 0 BDADLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000334494971 386379411 /nfs/dbraw/zinc/37/94/11/386379411.db2.gz BQWXILCBCOXKBW-SECBINFHSA-N 1 2 242.706 1.596 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](C)(F)C2)nn1C ZINC000347395168 386383008 /nfs/dbraw/zinc/38/30/08/386383008.db2.gz SLYWDRPVKODVBH-LLVKDONJSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](C)(F)C2)nn1C ZINC000347395168 386383012 /nfs/dbraw/zinc/38/30/12/386383012.db2.gz SLYWDRPVKODVBH-LLVKDONJSA-N 1 2 211.284 1.662 20 0 BDADLO CSCCC[N@H+](C)Cc1nnc(C)o1 ZINC000336698860 386383829 /nfs/dbraw/zinc/38/38/29/386383829.db2.gz WAXIEYJQIJGMEV-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CSCCC[N@@H+](C)Cc1nnc(C)o1 ZINC000336698860 386383834 /nfs/dbraw/zinc/38/38/34/386383834.db2.gz WAXIEYJQIJGMEV-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC2(C)C)nc[nH+]1 ZINC000298325946 386326205 /nfs/dbraw/zinc/32/62/05/386326205.db2.gz RPCYLDUETIZMQD-IUCAKERBSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC2(C)C)[nH+]cn1 ZINC000298325946 386326210 /nfs/dbraw/zinc/32/62/10/386326210.db2.gz RPCYLDUETIZMQD-IUCAKERBSA-N 1 2 236.319 1.480 20 0 BDADLO Cc1cc(C(F)(F)F)nn1Cc1c[nH+]cn1C ZINC000289661922 386337571 /nfs/dbraw/zinc/33/75/71/386337571.db2.gz GSFPLRAVPKPXER-UHFFFAOYSA-N 1 2 244.220 1.992 20 0 BDADLO Cc1ccc(CC[NH2+][C@@]2(C)CCOC2=O)cc1 ZINC000289645016 386338395 /nfs/dbraw/zinc/33/83/95/386338395.db2.gz SRMBZAOUQCESEK-AWEZNQCLSA-N 1 2 233.311 1.833 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nccc(C)n1 ZINC000336717732 386439107 /nfs/dbraw/zinc/43/91/07/386439107.db2.gz YGGSWTTYWIIAHU-JTQLQIEISA-N 1 2 209.293 1.252 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nccc(C)n1 ZINC000336717732 386439113 /nfs/dbraw/zinc/43/91/13/386439113.db2.gz YGGSWTTYWIIAHU-JTQLQIEISA-N 1 2 209.293 1.252 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1cccnc1 ZINC000290475853 386440787 /nfs/dbraw/zinc/44/07/87/386440787.db2.gz VANMPYTUXCBUNZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1cccnc1 ZINC000290475853 386440793 /nfs/dbraw/zinc/44/07/93/386440793.db2.gz VANMPYTUXCBUNZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccncc1 ZINC000347547534 386445993 /nfs/dbraw/zinc/44/59/93/386445993.db2.gz NSYIFFHJQHUNQV-SECBINFHSA-N 1 2 243.314 1.928 20 0 BDADLO Cc1cnc(NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000277568825 386447989 /nfs/dbraw/zinc/44/79/89/386447989.db2.gz ZQRMPMBXURUOHT-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO CCSCC[N@H+](C)Cc1ccon1 ZINC000265977654 386387943 /nfs/dbraw/zinc/38/79/43/386387943.db2.gz CQEFYPDTQDWWKI-UHFFFAOYSA-N 1 2 200.307 1.860 20 0 BDADLO CCSCC[N@@H+](C)Cc1ccon1 ZINC000265977654 386387952 /nfs/dbraw/zinc/38/79/52/386387952.db2.gz CQEFYPDTQDWWKI-UHFFFAOYSA-N 1 2 200.307 1.860 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nc(C)no3)C2)c1 ZINC000290069338 386391258 /nfs/dbraw/zinc/39/12/58/386391258.db2.gz YEWBDSVQTXIFBB-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nc(C)no3)C2)c1 ZINC000290069338 386391262 /nfs/dbraw/zinc/39/12/62/386391262.db2.gz YEWBDSVQTXIFBB-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO CC(C)[C@H](NC(=O)c1cncn1C)c1[nH]cc[nH+]1 ZINC000290056988 386391501 /nfs/dbraw/zinc/39/15/01/386391501.db2.gz DZNDYNHVPLZMRQ-JTQLQIEISA-N 1 2 247.302 1.270 20 0 BDADLO O=C1NC[C@@H](CSc2[nH+]cc3ccccn32)O1 ZINC000298849282 386392574 /nfs/dbraw/zinc/39/25/74/386392574.db2.gz LYYMGBSUMGEYKO-VIFPVBQESA-N 1 2 249.295 1.535 20 0 BDADLO CC(C)c1ccc(C(=O)N2CC[NH+](C)CC2)nc1 ZINC000290083793 386393940 /nfs/dbraw/zinc/39/39/40/386393940.db2.gz VFBQBIXETITNBW-UHFFFAOYSA-N 1 2 247.342 1.593 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000299038725 386404331 /nfs/dbraw/zinc/40/43/31/386404331.db2.gz DSNALIHDWKXBLP-JTQLQIEISA-N 1 2 248.330 1.591 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nnc(CC)[nH]2)C1 ZINC000347439752 386404321 /nfs/dbraw/zinc/40/43/21/386404321.db2.gz FUIRUXHDSAGRAO-UHFFFAOYSA-N 1 2 238.335 1.366 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nnc(CC)[nH]2)C1 ZINC000347439752 386404323 /nfs/dbraw/zinc/40/43/23/386404323.db2.gz FUIRUXHDSAGRAO-UHFFFAOYSA-N 1 2 238.335 1.366 20 0 BDADLO CC1(C)C[C@H]([NH2+]Cc2c[nH]nn2)C(C)(C)O1 ZINC000336732722 386405943 /nfs/dbraw/zinc/40/59/43/386405943.db2.gz GAVRAEMKGJBFHM-VIFPVBQESA-N 1 2 224.308 1.240 20 0 BDADLO CC1(C)C[C@H]([NH2+]Cc2cn[nH]n2)C(C)(C)O1 ZINC000336732722 386405950 /nfs/dbraw/zinc/40/59/50/386405950.db2.gz GAVRAEMKGJBFHM-VIFPVBQESA-N 1 2 224.308 1.240 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCc1ccoc1 ZINC000452570120 386407190 /nfs/dbraw/zinc/40/71/90/386407190.db2.gz IZRPWPFTGUIGNB-UHFFFAOYSA-N 1 2 247.298 1.745 20 0 BDADLO Cc1nc(N(C)Cc2ccon2)cc[nH+]1 ZINC000266195183 386410536 /nfs/dbraw/zinc/41/05/36/386410536.db2.gz CJMIXYAPCSRJEC-UHFFFAOYSA-N 1 2 204.233 1.409 20 0 BDADLO CC(F)(F)CC(=O)NCCn1cc[nH+]c1 ZINC000277160255 386412900 /nfs/dbraw/zinc/41/29/00/386412900.db2.gz DVZHMWDONORLBP-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO Cn1nncc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000290361500 386423275 /nfs/dbraw/zinc/42/32/75/386423275.db2.gz GVPZHAKMVJLLSD-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cn1nncc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000290361500 386423278 /nfs/dbraw/zinc/42/32/78/386423278.db2.gz GVPZHAKMVJLLSD-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CCCC1(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000339432788 386423481 /nfs/dbraw/zinc/42/34/81/386423481.db2.gz JELIGPFSRVSDDF-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO CO[C@H]1C[N@H+](Cc2csnn2)CC[C@@H]1C ZINC000188323564 386424798 /nfs/dbraw/zinc/42/47/98/386424798.db2.gz BRNGMXKJCUABFD-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2csnn2)CC[C@@H]1C ZINC000188323564 386424805 /nfs/dbraw/zinc/42/48/05/386424805.db2.gz BRNGMXKJCUABFD-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000266342900 386428280 /nfs/dbraw/zinc/42/82/80/386428280.db2.gz IMPBAGUCIPNYIY-BDAKNGLRSA-N 1 2 236.319 1.500 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2[nH]ncc2C)C1 ZINC000290561565 386452346 /nfs/dbraw/zinc/45/23/46/386452346.db2.gz XQVRTSXFAYCXRX-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000290561565 386452353 /nfs/dbraw/zinc/45/23/53/386452353.db2.gz XQVRTSXFAYCXRX-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO Cc1cnc(C)c(N(C)Cc2[nH+]ccn2C)n1 ZINC000299437394 386452408 /nfs/dbraw/zinc/45/24/08/386452408.db2.gz PDPCAVFDGSJOBT-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO CC[C@H]1C[N@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000290439137 386436032 /nfs/dbraw/zinc/43/60/32/386436032.db2.gz NTPYNUZEKJJGNO-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000290439137 386436036 /nfs/dbraw/zinc/43/60/36/386436036.db2.gz NTPYNUZEKJJGNO-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@H+](Cc2[nH]ncc2C)C[C@@H](C)O1 ZINC000290439137 386436040 /nfs/dbraw/zinc/43/60/40/386436040.db2.gz NTPYNUZEKJJGNO-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2[nH]ncc2C)C[C@@H](C)O1 ZINC000290439137 386436045 /nfs/dbraw/zinc/43/60/45/386436045.db2.gz NTPYNUZEKJJGNO-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339571160 386469131 /nfs/dbraw/zinc/46/91/31/386469131.db2.gz BSSVPTRIXDBPQM-CSMHCCOUSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339571160 386469133 /nfs/dbraw/zinc/46/91/33/386469133.db2.gz BSSVPTRIXDBPQM-CSMHCCOUSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC(C)(O)C2)o1 ZINC000639254398 386470297 /nfs/dbraw/zinc/47/02/97/386470297.db2.gz RSQHQUAYSGQTAO-KOLCDFICSA-N 1 2 221.300 1.970 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1cccnc1 ZINC000266818256 386471431 /nfs/dbraw/zinc/47/14/31/386471431.db2.gz JBTNCDSBBQZHJA-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCn2cnnc2C1 ZINC000278473066 386528636 /nfs/dbraw/zinc/52/86/36/386528636.db2.gz QWOYJVNTSNINSH-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000299622350 386472233 /nfs/dbraw/zinc/47/22/33/386472233.db2.gz QOKZCNHCFXTMJI-LLVKDONJSA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](O)C1 ZINC000299622350 386472241 /nfs/dbraw/zinc/47/22/41/386472241.db2.gz QOKZCNHCFXTMJI-LLVKDONJSA-N 1 2 223.320 1.421 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCn2cnnc2C1 ZINC000278473066 386528641 /nfs/dbraw/zinc/52/86/41/386528641.db2.gz QWOYJVNTSNINSH-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290798603 386474632 /nfs/dbraw/zinc/47/46/32/386474632.db2.gz DWZFZGKTTHBHFT-AOOOYVTPSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290798603 386474635 /nfs/dbraw/zinc/47/46/35/386474635.db2.gz DWZFZGKTTHBHFT-AOOOYVTPSA-N 1 2 209.293 1.327 20 0 BDADLO CCOc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000519534238 386478409 /nfs/dbraw/zinc/47/84/09/386478409.db2.gz URXPYYMAWZZATR-UHFFFAOYSA-N 1 2 245.282 1.921 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339581030 386485837 /nfs/dbraw/zinc/48/58/37/386485837.db2.gz UFHIEWXCVUWPBY-IUCAKERBSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339581030 386485842 /nfs/dbraw/zinc/48/58/42/386485842.db2.gz UFHIEWXCVUWPBY-IUCAKERBSA-N 1 2 223.272 1.906 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290917736 386486580 /nfs/dbraw/zinc/48/65/80/386486580.db2.gz JYZXMGRGDASOOI-JSGCOSHPSA-N 1 2 247.342 1.908 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)COC1CCCC1 ZINC000266989536 386486622 /nfs/dbraw/zinc/48/66/22/386486622.db2.gz URPWFFIGDIQYJJ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO O=C(CC[C@H]1CCCO1)N1CCn2c[nH+]cc2C1 ZINC000290930001 386489461 /nfs/dbraw/zinc/48/94/61/386489461.db2.gz MEJUHPGDCHTEOA-GFCCVEGCSA-N 1 2 249.314 1.185 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CC)[C@H](C)CO ZINC000339627456 386495489 /nfs/dbraw/zinc/49/54/89/386495489.db2.gz OPLWDHKIAIUFHC-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CC)[C@H](C)CO ZINC000339627456 386495498 /nfs/dbraw/zinc/49/54/98/386495498.db2.gz OPLWDHKIAIUFHC-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)nn1 ZINC000336783772 386507401 /nfs/dbraw/zinc/50/74/01/386507401.db2.gz DQCKWOARPWRLTP-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccncc2)nn1 ZINC000336783772 386507406 /nfs/dbraw/zinc/50/74/06/386507406.db2.gz DQCKWOARPWRLTP-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO CCN(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000335447057 386513757 /nfs/dbraw/zinc/51/37/57/386513757.db2.gz FEPWCZQRMDDIGY-UHFFFAOYSA-N 1 2 231.299 1.974 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)n(C)n1 ZINC000335449242 386517348 /nfs/dbraw/zinc/51/73/48/386517348.db2.gz IWWVWXDOWWROPB-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)n(C)n1 ZINC000335449242 386517353 /nfs/dbraw/zinc/51/73/53/386517353.db2.gz IWWVWXDOWWROPB-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO CCCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339701550 386522508 /nfs/dbraw/zinc/52/25/08/386522508.db2.gz OMCFIHLYKXYKFU-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000336780109 386523904 /nfs/dbraw/zinc/52/39/04/386523904.db2.gz QLSFFHNMADPOBG-RKDXNWHRSA-N 1 2 246.332 1.148 20 0 BDADLO CC(C)c1noc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290591184 386454910 /nfs/dbraw/zinc/45/49/10/386454910.db2.gz XLSMZYJXLVOAMM-VIFPVBQESA-N 1 2 235.291 1.890 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cocn2)C[C@@H]1C ZINC000277636791 386455462 /nfs/dbraw/zinc/45/54/62/386455462.db2.gz NHYRIIXLWPCBPM-ONGXEEELSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cocn2)C[C@@H]1C ZINC000277636791 386455468 /nfs/dbraw/zinc/45/54/68/386455468.db2.gz NHYRIIXLWPCBPM-ONGXEEELSA-N 1 2 238.287 1.306 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](C)[C@H]2CCCO2)no1 ZINC000183136048 386457924 /nfs/dbraw/zinc/45/79/24/386457924.db2.gz JKHQECISEOIKCL-NXEZZACHSA-N 1 2 239.319 1.850 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000335286866 386460044 /nfs/dbraw/zinc/46/00/44/386460044.db2.gz DKJJSHWCTIRMFE-VXJOIVPMSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCC(F)(F)F ZINC000335286866 386460048 /nfs/dbraw/zinc/46/00/48/386460048.db2.gz DKJJSHWCTIRMFE-VXJOIVPMSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457859743 386464375 /nfs/dbraw/zinc/46/43/75/386464375.db2.gz OIERNFGLHHFANW-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ncn1 ZINC000291923871 386598618 /nfs/dbraw/zinc/59/86/18/386598618.db2.gz ACIRCHNLKTXDMH-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ncn1 ZINC000291923871 386598625 /nfs/dbraw/zinc/59/86/25/386598625.db2.gz ACIRCHNLKTXDMH-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cscn1 ZINC000062662624 386589928 /nfs/dbraw/zinc/58/99/28/386589928.db2.gz NIULXSIJFDXSDR-UHFFFAOYSA-N 1 2 236.300 1.149 20 0 BDADLO CCC1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000335420418 386591988 /nfs/dbraw/zinc/59/19/88/386591988.db2.gz BRLCAJOGYPPFHG-SNVBAGLBSA-N 1 2 233.315 1.698 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291310625 386534187 /nfs/dbraw/zinc/53/41/87/386534187.db2.gz RPPVLQNTZBKORI-LLVKDONJSA-N 1 2 231.303 1.064 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291310625 386534195 /nfs/dbraw/zinc/53/41/95/386534195.db2.gz RPPVLQNTZBKORI-LLVKDONJSA-N 1 2 231.303 1.064 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+](C)CCCO)cs1 ZINC000267370020 386534535 /nfs/dbraw/zinc/53/45/35/386534535.db2.gz KCKOUHVHHGMMON-SECBINFHSA-N 1 2 244.360 1.665 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+](C)CCCO)cs1 ZINC000267370020 386534539 /nfs/dbraw/zinc/53/45/39/386534539.db2.gz KCKOUHVHHGMMON-SECBINFHSA-N 1 2 244.360 1.665 20 0 BDADLO c1ccc(NCCNc2nnc(C3CC3)o2)[nH+]c1 ZINC000278504540 386536094 /nfs/dbraw/zinc/53/60/94/386536094.db2.gz XNVYROQFFADBBH-UHFFFAOYSA-N 1 2 245.286 1.866 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3csnn3)C2)c1 ZINC000291373609 386540323 /nfs/dbraw/zinc/54/03/23/386540323.db2.gz ZMULCCZQUYOFDZ-JTQLQIEISA-N 1 2 235.316 1.182 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3csnn3)C2)c1 ZINC000291373609 386540328 /nfs/dbraw/zinc/54/03/28/386540328.db2.gz ZMULCCZQUYOFDZ-JTQLQIEISA-N 1 2 235.316 1.182 20 0 BDADLO Cn1nccc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415061713 386541831 /nfs/dbraw/zinc/54/18/31/386541831.db2.gz DDVQYEGMOVEDGO-GFCCVEGCSA-N 1 2 222.336 1.027 20 0 BDADLO C[C@@]1(CO)CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000519711067 386542917 /nfs/dbraw/zinc/54/29/17/386542917.db2.gz ZCBRYJLFZMLDGT-JTQLQIEISA-N 1 2 247.245 1.354 20 0 BDADLO C[C@@]1(CO)CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000519711067 386542923 /nfs/dbraw/zinc/54/29/23/386542923.db2.gz ZCBRYJLFZMLDGT-JTQLQIEISA-N 1 2 247.245 1.354 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOCC(F)F)n1 ZINC000336755567 386543760 /nfs/dbraw/zinc/54/37/60/386543760.db2.gz XRKYSGIPRUMNFF-ZCFIWIBFSA-N 1 2 235.234 1.310 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399393996 386545303 /nfs/dbraw/zinc/54/53/03/386545303.db2.gz DPWUCIAFUJJPRK-QWRGUYRKSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399393996 386545309 /nfs/dbraw/zinc/54/53/09/386545309.db2.gz DPWUCIAFUJJPRK-QWRGUYRKSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399393995 386545932 /nfs/dbraw/zinc/54/59/32/386545932.db2.gz DPWUCIAFUJJPRK-MNOVXSKESA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399393995 386545938 /nfs/dbraw/zinc/54/59/38/386545938.db2.gz DPWUCIAFUJJPRK-MNOVXSKESA-N 1 2 238.335 1.033 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000193321941 386547122 /nfs/dbraw/zinc/54/71/22/386547122.db2.gz MHVNRUZEMIHYKG-JTQLQIEISA-N 1 2 223.320 1.751 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000193321941 386547126 /nfs/dbraw/zinc/54/71/26/386547126.db2.gz MHVNRUZEMIHYKG-JTQLQIEISA-N 1 2 223.320 1.751 20 0 BDADLO CC1(C(=O)NCCNc2cccc[nH+]2)CCC1 ZINC000267540310 386551965 /nfs/dbraw/zinc/55/19/65/386551965.db2.gz VGRJZWPJYQAWPP-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CC[C@H](CO)[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000336931224 386553065 /nfs/dbraw/zinc/55/30/65/386553065.db2.gz PSXWENMNGJAUDT-MRVPVSSYSA-N 1 2 237.278 1.317 20 0 BDADLO Cc1[nH]ccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000267554352 386554690 /nfs/dbraw/zinc/55/46/90/386554690.db2.gz YTQQDVSAWCUWEN-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO COC[C@@H](CCO)Nc1[nH+]c2ccccc2n1C ZINC000228279566 386559282 /nfs/dbraw/zinc/55/92/82/386559282.db2.gz DHYVZCLFVARTMR-SNVBAGLBSA-N 1 2 249.314 1.383 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCn2cncc2C1 ZINC000291619947 386561956 /nfs/dbraw/zinc/56/19/56/386561956.db2.gz ROUULSJMHRXSLR-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCn2cncc2C1 ZINC000291619947 386561964 /nfs/dbraw/zinc/56/19/64/386561964.db2.gz ROUULSJMHRXSLR-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000187631690 386565393 /nfs/dbraw/zinc/56/53/93/386565393.db2.gz DWNWZDMKVDACMU-LBPRGKRZSA-N 1 2 239.319 1.363 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000187631690 386565399 /nfs/dbraw/zinc/56/53/99/386565399.db2.gz DWNWZDMKVDACMU-LBPRGKRZSA-N 1 2 239.319 1.363 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000267654506 386567870 /nfs/dbraw/zinc/56/78/70/386567870.db2.gz YNELTWQZLOAPTF-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000267654506 386567874 /nfs/dbraw/zinc/56/78/74/386567874.db2.gz YNELTWQZLOAPTF-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000267654506 386567877 /nfs/dbraw/zinc/56/78/77/386567877.db2.gz YNELTWQZLOAPTF-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000335408200 386568351 /nfs/dbraw/zinc/56/83/51/386568351.db2.gz XKTZTGWXBHIIRZ-SECBINFHSA-N 1 2 220.251 1.273 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000335408200 386568355 /nfs/dbraw/zinc/56/83/55/386568355.db2.gz XKTZTGWXBHIIRZ-SECBINFHSA-N 1 2 220.251 1.273 20 0 BDADLO FC(F)C1([NH2+]CC2=CCCOC2)CC1 ZINC000336646401 386620580 /nfs/dbraw/zinc/62/05/80/386620580.db2.gz CTPXVNLYHYWPDP-UHFFFAOYSA-N 1 2 203.232 1.720 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@H]1CCCO1)C2 ZINC000644933864 386622754 /nfs/dbraw/zinc/62/27/54/386622754.db2.gz WDOIXKVZYQUFJQ-LLVKDONJSA-N 1 2 204.273 1.576 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@H]1CCCO1)C2 ZINC000644933864 386622760 /nfs/dbraw/zinc/62/27/60/386622760.db2.gz WDOIXKVZYQUFJQ-LLVKDONJSA-N 1 2 204.273 1.576 20 0 BDADLO COC(=O)[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000279056495 386623340 /nfs/dbraw/zinc/62/33/40/386623340.db2.gz KMWJMCZABGKRJW-VHSXEESVSA-N 1 2 235.287 1.539 20 0 BDADLO CO[C@H](C[N@@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000644929155 386627161 /nfs/dbraw/zinc/62/71/61/386627161.db2.gz LBYWJYWKTFJFJI-GFCCVEGCSA-N 1 2 235.331 1.432 20 0 BDADLO CO[C@H](C[N@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000644929155 386627163 /nfs/dbraw/zinc/62/71/63/386627163.db2.gz LBYWJYWKTFJFJI-GFCCVEGCSA-N 1 2 235.331 1.432 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](CF)C2)s1 ZINC000414473105 386655631 /nfs/dbraw/zinc/65/56/31/386655631.db2.gz URBTYBWXKPDZKT-SECBINFHSA-N 1 2 244.335 1.876 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](CF)C2)s1 ZINC000414473105 386655635 /nfs/dbraw/zinc/65/56/35/386655635.db2.gz URBTYBWXKPDZKT-SECBINFHSA-N 1 2 244.335 1.876 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)C1CCCC1 ZINC000268252105 386631779 /nfs/dbraw/zinc/63/17/79/386631779.db2.gz ZNSPGQAOHFHRGG-CQSZACIVSA-N 1 2 212.318 1.611 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)c2ccon2)n1C ZINC000336782170 386632212 /nfs/dbraw/zinc/63/22/12/386632212.db2.gz WWHDBWIGOILJGK-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccccn2)[nH]1 ZINC000268271391 386636300 /nfs/dbraw/zinc/63/63/00/386636300.db2.gz HCYQJPMAGCCVTE-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccccn2)[nH]1 ZINC000268271391 386636308 /nfs/dbraw/zinc/63/63/08/386636308.db2.gz HCYQJPMAGCCVTE-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO COC[C@@](C)([NH2+]C[C@@H](C)CC(C)C)C(=O)OC ZINC000337180780 386639320 /nfs/dbraw/zinc/63/93/20/386639320.db2.gz MDNGFRBGRPWHKZ-WCQYABFASA-N 1 2 245.363 1.836 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329353862 386655996 /nfs/dbraw/zinc/65/59/96/386655996.db2.gz GFKVRBAMZAOOJN-HBNTYKKESA-N 1 2 249.314 1.498 20 0 BDADLO CCOCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000520287763 386642272 /nfs/dbraw/zinc/64/22/72/386642272.db2.gz HGPSOIMQPQSABG-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCOCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000520287763 386642276 /nfs/dbraw/zinc/64/22/76/386642276.db2.gz HGPSOIMQPQSABG-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329353861 386656429 /nfs/dbraw/zinc/65/64/29/386656429.db2.gz GFKVRBAMZAOOJN-GMTAPVOTSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)ncn1 ZINC000291923904 386599402 /nfs/dbraw/zinc/59/94/02/386599402.db2.gz ACYPZDXZZZLPLM-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)ncn1 ZINC000291923904 386599405 /nfs/dbraw/zinc/59/94/05/386599405.db2.gz ACYPZDXZZZLPLM-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO CC(C)(C)C[C@H](O)CC(=O)NCc1[nH]cc[nH+]1 ZINC000291945524 386603019 /nfs/dbraw/zinc/60/30/19/386603019.db2.gz NSZFJTWQHZXLDF-SECBINFHSA-N 1 2 239.319 1.213 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335492017 386612139 /nfs/dbraw/zinc/61/21/39/386612139.db2.gz RLZUYISTNWGRNR-DGCLKSJQSA-N 1 2 247.342 1.702 20 0 BDADLO COC(=O)[C@H](C)NCc1cn2cc(C)ccc2[nH+]1 ZINC000268034758 386612860 /nfs/dbraw/zinc/61/28/60/386612860.db2.gz PONLETRYGIOTBU-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C[C@H](O)C1CC1 ZINC000644925153 386615520 /nfs/dbraw/zinc/61/55/20/386615520.db2.gz VIQARYOJVVWTAP-ZETCQYMHSA-N 1 2 247.245 1.210 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C[C@H](O)C1CC1 ZINC000644925153 386615527 /nfs/dbraw/zinc/61/55/27/386615527.db2.gz VIQARYOJVVWTAP-ZETCQYMHSA-N 1 2 247.245 1.210 20 0 BDADLO Cn1ncnc1C[NH2+]C(C)(C)c1ccccc1F ZINC000292080381 386616548 /nfs/dbraw/zinc/61/65/48/386616548.db2.gz FRQYDAYFCZBNCF-UHFFFAOYSA-N 1 2 248.305 1.979 20 0 BDADLO C[C@@H](O)CN(C)c1cc[nH+]c2ccncc21 ZINC000292376605 386659044 /nfs/dbraw/zinc/65/90/44/386659044.db2.gz PVPDFBGQLJZKAY-SECBINFHSA-N 1 2 217.272 1.447 20 0 BDADLO CO[C@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000292377630 386660050 /nfs/dbraw/zinc/66/00/50/386660050.db2.gz HBHVQJRTBSJNKN-URWSZGRFSA-N 1 2 249.314 1.354 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CC[C@H]1SC)C(=O)OC ZINC000425330994 386661515 /nfs/dbraw/zinc/66/15/15/386661515.db2.gz BJTLQCVVPPHBNK-KXUCPTDWSA-N 1 2 231.361 1.812 20 0 BDADLO O[C@H]1C[N@H+](CCC2CCOCC2)CC(F)(F)C1 ZINC000645002522 386664631 /nfs/dbraw/zinc/66/46/31/386664631.db2.gz XUJPRVKAHFIMEI-LLVKDONJSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1C[N@@H+](CCC2CCOCC2)CC(F)(F)C1 ZINC000645002522 386664636 /nfs/dbraw/zinc/66/46/36/386664636.db2.gz XUJPRVKAHFIMEI-LLVKDONJSA-N 1 2 249.301 1.505 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ncc(Cl)cn1 ZINC000428129577 386667047 /nfs/dbraw/zinc/66/70/47/386667047.db2.gz HDDOXMFRSGAYAV-UHFFFAOYSA-N 1 2 223.667 1.490 20 0 BDADLO C[N@@H+](Cc1nnnn1CC(F)(F)F)CC1CC1 ZINC000190821945 386667375 /nfs/dbraw/zinc/66/73/75/386667375.db2.gz NUKJEFISFRJTGQ-UHFFFAOYSA-N 1 2 249.240 1.077 20 0 BDADLO C[N@H+](Cc1nnnn1CC(F)(F)F)CC1CC1 ZINC000190821945 386667380 /nfs/dbraw/zinc/66/73/80/386667380.db2.gz NUKJEFISFRJTGQ-UHFFFAOYSA-N 1 2 249.240 1.077 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292445352 386674259 /nfs/dbraw/zinc/67/42/59/386674259.db2.gz OWVMIWXQIWAZOX-GHMZBOCLSA-N 1 2 249.310 1.831 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292445352 386674265 /nfs/dbraw/zinc/67/42/65/386674265.db2.gz OWVMIWXQIWAZOX-GHMZBOCLSA-N 1 2 249.310 1.831 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000120703504 386676858 /nfs/dbraw/zinc/67/68/58/386676858.db2.gz BEHINRAOPIFQJW-UHFFFAOYSA-N 1 2 238.335 1.065 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000120703504 386676863 /nfs/dbraw/zinc/67/68/63/386676863.db2.gz BEHINRAOPIFQJW-UHFFFAOYSA-N 1 2 238.335 1.065 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000050115296 386683621 /nfs/dbraw/zinc/68/36/21/386683621.db2.gz AAWGSMYCFRQCCZ-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000050115296 386683624 /nfs/dbraw/zinc/68/36/24/386683624.db2.gz AAWGSMYCFRQCCZ-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CC(=O)N[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000335532576 386684186 /nfs/dbraw/zinc/68/41/86/386684186.db2.gz WGPULFRUTYQXEF-VIFPVBQESA-N 1 2 235.287 1.162 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000352836923 386686044 /nfs/dbraw/zinc/68/60/44/386686044.db2.gz XZVRCANUHUJYHX-GFCCVEGCSA-N 1 2 244.298 1.034 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000352836923 386686047 /nfs/dbraw/zinc/68/60/47/386686047.db2.gz XZVRCANUHUJYHX-GFCCVEGCSA-N 1 2 244.298 1.034 20 0 BDADLO Cn1ncnc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451781526 386690512 /nfs/dbraw/zinc/69/05/12/386690512.db2.gz PMINCZPRPMTIEB-SNVBAGLBSA-N 1 2 240.351 1.044 20 0 BDADLO Cn1ncnc1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451781526 386690519 /nfs/dbraw/zinc/69/05/19/386690519.db2.gz PMINCZPRPMTIEB-SNVBAGLBSA-N 1 2 240.351 1.044 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCCCC3)n[nH]1 ZINC000335470858 386692302 /nfs/dbraw/zinc/69/23/02/386692302.db2.gz NVPBIADDHHQSKI-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCCCC3)n[nH]1 ZINC000335470858 386692307 /nfs/dbraw/zinc/69/23/07/386692307.db2.gz NVPBIADDHHQSKI-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO C=Cn1cc(C[NH2+][C@H](C)c2nnc(C)s2)cn1 ZINC000391934881 386696521 /nfs/dbraw/zinc/69/65/21/386696521.db2.gz OMUMMWAJXUYMIM-MRVPVSSYSA-N 1 2 249.343 1.994 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)OC1CCCC1 ZINC000295243944 386696858 /nfs/dbraw/zinc/69/68/58/386696858.db2.gz VOAQRABBSHNZDL-SNVBAGLBSA-N 1 2 237.303 1.940 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cn1 ZINC000391927010 386700172 /nfs/dbraw/zinc/70/01/72/386700172.db2.gz JDMQRLWJBAMNCV-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@]2(C)CCCO2)n1 ZINC000329541587 386701983 /nfs/dbraw/zinc/70/19/83/386701983.db2.gz DMRNIQAKQFZLRO-LBPRGKRZSA-N 1 2 248.286 1.420 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)ncn1 ZINC000292698024 386712108 /nfs/dbraw/zinc/71/21/08/386712108.db2.gz DPMHJNBXDXWVRD-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)ncn1 ZINC000292698024 386712116 /nfs/dbraw/zinc/71/21/16/386712116.db2.gz DPMHJNBXDXWVRD-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO CC[C@H](NC(=O)c1cc(C)ncn1)c1[nH]cc[nH+]1 ZINC000526945350 386707525 /nfs/dbraw/zinc/70/75/25/386707525.db2.gz KFFNHSRPVYHWDE-VIFPVBQESA-N 1 2 245.286 1.389 20 0 BDADLO CC(C)n1ncnc1CN(C)Cc1[nH+]ccn1C ZINC000279652916 386713972 /nfs/dbraw/zinc/71/39/72/386713972.db2.gz BSHNQEONYHYGGI-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO CSCSc1[nH+]cnc2c1cnn2C ZINC000292719167 386714722 /nfs/dbraw/zinc/71/47/22/386714722.db2.gz RZIOBNLJUFCDIK-UHFFFAOYSA-N 1 2 226.330 1.776 20 0 BDADLO CC(C)OC[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000526984605 386717665 /nfs/dbraw/zinc/71/76/65/386717665.db2.gz NTMXFSGUFGVOBA-LLVKDONJSA-N 1 2 231.311 1.614 20 0 BDADLO CC(C)OC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000526984605 386717672 /nfs/dbraw/zinc/71/76/72/386717672.db2.gz NTMXFSGUFGVOBA-LLVKDONJSA-N 1 2 231.311 1.614 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)on1 ZINC000268947730 386725377 /nfs/dbraw/zinc/72/53/77/386725377.db2.gz BRTOKNOLMHNRCW-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)on1 ZINC000268947730 386725385 /nfs/dbraw/zinc/72/53/85/386725385.db2.gz BRTOKNOLMHNRCW-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000336760387 386728131 /nfs/dbraw/zinc/72/81/31/386728131.db2.gz JQCTVZNBASXCLH-AUTRQRHGSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1nsc(N(C)CCCn2cc[nH+]c2)n1 ZINC000268961240 386728404 /nfs/dbraw/zinc/72/84/04/386728404.db2.gz LCQMKJBFAGXPKZ-UHFFFAOYSA-N 1 2 237.332 1.570 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)o1 ZINC000185968919 386728908 /nfs/dbraw/zinc/72/89/08/386728908.db2.gz UNTGLTWFPKCPCU-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cnc(C[N@H+]2CCCC[C@]2(C)C(N)=O)o1 ZINC000185968919 386728915 /nfs/dbraw/zinc/72/89/15/386728915.db2.gz UNTGLTWFPKCPCU-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO CC[N@H+](CC(=O)NC(C)(C)C)Cc1ccncc1 ZINC000248258283 386750709 /nfs/dbraw/zinc/75/07/09/386750709.db2.gz PLZZUOSCKUVXAD-UHFFFAOYSA-N 1 2 249.358 1.818 20 0 BDADLO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1ccncc1 ZINC000248258283 386750712 /nfs/dbraw/zinc/75/07/12/386750712.db2.gz PLZZUOSCKUVXAD-UHFFFAOYSA-N 1 2 249.358 1.818 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH+]c[nH]2)no1 ZINC000344700803 386751924 /nfs/dbraw/zinc/75/19/24/386751924.db2.gz IWLUUGVPVXODQR-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH]c[nH+]2)no1 ZINC000344700803 386751933 /nfs/dbraw/zinc/75/19/33/386751933.db2.gz IWLUUGVPVXODQR-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCO[C@H]4C[C@H]43)n2c1 ZINC000366533865 386756677 /nfs/dbraw/zinc/75/66/77/386756677.db2.gz UYJJKVZIUAAEIC-OLZOCXBDSA-N 1 2 243.310 1.616 20 0 BDADLO CCc1noc(C[N@@H+](CC)[C@@H]2CCOC2)n1 ZINC000643400922 386757705 /nfs/dbraw/zinc/75/77/05/386757705.db2.gz WYYVMXCPBWATBY-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+](CC)[C@@H]2CCOC2)n1 ZINC000643400922 386757710 /nfs/dbraw/zinc/75/77/10/386757710.db2.gz WYYVMXCPBWATBY-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)C(=O)NCc1ccco1 ZINC000192311467 386759195 /nfs/dbraw/zinc/75/91/95/386759195.db2.gz IVEWJWJGSOIJHV-SECBINFHSA-N 1 2 249.270 1.062 20 0 BDADLO CCN(C(=O)CCc1c[nH+]cn1C)C(C)C ZINC000279972656 386762541 /nfs/dbraw/zinc/76/25/41/386762541.db2.gz QISWLBAGZKAAHJ-UHFFFAOYSA-N 1 2 223.320 1.610 20 0 BDADLO CCCCC[S@@](=O)Cc1c[nH+]cn1C ZINC000340763410 386768650 /nfs/dbraw/zinc/76/86/50/386768650.db2.gz KFIDFPXYBXJDKT-CQSZACIVSA-N 1 2 214.334 1.859 20 0 BDADLO CC[C@H](NC(=O)CC(F)(F)F)c1[nH]cc[nH+]1 ZINC000125341082 386796717 /nfs/dbraw/zinc/79/67/17/386796717.db2.gz CAIRTBKMVYCHLS-LURJTMIESA-N 1 2 235.209 1.929 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1c[nH+]c[nH]1 ZINC000280220078 386791825 /nfs/dbraw/zinc/79/18/25/386791825.db2.gz LEJNPGLVQXJPTD-ONGXEEELSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1c[nH]c[nH+]1 ZINC000280220078 386791827 /nfs/dbraw/zinc/79/18/27/386791827.db2.gz LEJNPGLVQXJPTD-ONGXEEELSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2c[nH]cn2)C[C@H]1C ZINC000280248230 386792935 /nfs/dbraw/zinc/79/29/35/386792935.db2.gz OFNYZTHQEPSLFA-MWLCHTKSSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C[C@H]1C ZINC000280248230 386792943 /nfs/dbraw/zinc/79/29/43/386792943.db2.gz OFNYZTHQEPSLFA-MWLCHTKSSA-N 1 2 237.303 1.041 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125330499 386795658 /nfs/dbraw/zinc/79/56/58/386795658.db2.gz XOCZNPHODSGPCB-RKDXNWHRSA-N 1 2 223.276 1.156 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000293060644 386772201 /nfs/dbraw/zinc/77/22/01/386772201.db2.gz SFCNPAMIHGYMGN-GMSGAONNSA-N 1 2 236.319 1.305 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293060644 386772206 /nfs/dbraw/zinc/77/22/06/386772206.db2.gz SFCNPAMIHGYMGN-GMSGAONNSA-N 1 2 236.319 1.305 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc([S@](C)=O)c1 ZINC000269305217 386776055 /nfs/dbraw/zinc/77/60/55/386776055.db2.gz FTZLKVIKCPNRJW-KRWDZBQOSA-N 1 2 249.339 1.770 20 0 BDADLO C[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC(C)(C)C ZINC000396574730 386780222 /nfs/dbraw/zinc/78/02/22/386780222.db2.gz GZLRNCCGSUNTHK-VHSXEESVSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000340863026 386788320 /nfs/dbraw/zinc/78/83/20/386788320.db2.gz APVVOUCXBDNMGM-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000340863026 386788324 /nfs/dbraw/zinc/78/83/24/386788324.db2.gz APVVOUCXBDNMGM-SFYZADRCSA-N 1 2 210.281 1.131 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000357669451 386824870 /nfs/dbraw/zinc/82/48/70/386824870.db2.gz CRVFUZWTLZSQTC-QPUJVOFHSA-N 1 2 235.331 1.466 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@H]2CCCCO2)n1 ZINC000329736282 386797023 /nfs/dbraw/zinc/79/70/23/386797023.db2.gz SKPBUFNGZFKLNZ-JTQLQIEISA-N 1 2 248.286 1.636 20 0 BDADLO CC[C@@H](C)C[NH2+][C@@H](CC(F)F)C(=O)OC ZINC000336744139 386802759 /nfs/dbraw/zinc/80/27/59/386802759.db2.gz YYWCEFFFLXKEKJ-SFYZADRCSA-N 1 2 223.263 1.819 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000293505738 386824465 /nfs/dbraw/zinc/82/44/65/386824465.db2.gz HSTZCILTAPWAIX-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000293505738 386824474 /nfs/dbraw/zinc/82/44/74/386824474.db2.gz HSTZCILTAPWAIX-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO O=C(CCc1ccc(O)cc1)NCc1[nH]cc[nH+]1 ZINC000357618813 386813987 /nfs/dbraw/zinc/81/39/87/386813987.db2.gz VKPPVXGVBLRRKS-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cnn(C)c2)n1C ZINC000341037141 386825172 /nfs/dbraw/zinc/82/51/72/386825172.db2.gz ZRCZCIKODDXOLI-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)c2cnn(C)c2)n1C ZINC000341037141 386825177 /nfs/dbraw/zinc/82/51/77/386825177.db2.gz ZRCZCIKODDXOLI-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@](C)(F)C1 ZINC000334774509 386825880 /nfs/dbraw/zinc/82/58/80/386825880.db2.gz VAZNYDCIBDJZFF-NSHDSACASA-N 1 2 226.299 1.540 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@](C)(F)C1 ZINC000334774509 386825886 /nfs/dbraw/zinc/82/58/86/386825886.db2.gz VAZNYDCIBDJZFF-NSHDSACASA-N 1 2 226.299 1.540 20 0 BDADLO C[C@@H](O)CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000249383485 386829099 /nfs/dbraw/zinc/82/90/99/386829099.db2.gz VUKCDJISDUDCLO-OCCSQVGLSA-N 1 2 234.343 1.356 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000280640074 386831810 /nfs/dbraw/zinc/83/18/10/386831810.db2.gz ZJRMKVGQCKJBNN-NSHDSACASA-N 1 2 220.272 1.754 20 0 BDADLO CCn1nncc1C[N@@H+]1CCCc2occc2C1 ZINC000334789613 386853275 /nfs/dbraw/zinc/85/32/75/386853275.db2.gz WHBRDSRPDXCRNF-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CCn1nncc1C[N@H+]1CCCc2occc2C1 ZINC000334789613 386853279 /nfs/dbraw/zinc/85/32/79/386853279.db2.gz WHBRDSRPDXCRNF-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CCc1ncnc(NCc2[nH+]ccn2CC)c1F ZINC000395448471 386837424 /nfs/dbraw/zinc/83/74/24/386837424.db2.gz NRJFKXYDTYFELZ-UHFFFAOYSA-N 1 2 249.293 1.429 20 0 BDADLO CC(C)c1cc(NC(=O)CCc2[nH]cc[nH+]2)n[nH]1 ZINC000280705676 386838076 /nfs/dbraw/zinc/83/80/76/386838076.db2.gz FSVRBHRQGKVMBT-UHFFFAOYSA-N 1 2 247.302 1.828 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280730777 386840787 /nfs/dbraw/zinc/84/07/87/386840787.db2.gz IPEPJGJPZMQLMC-QMMMGPOBSA-N 1 2 219.244 1.308 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000331363041 386846697 /nfs/dbraw/zinc/84/66/97/386846697.db2.gz ABBMDRBUPDPKAH-XKNYDFJKSA-N 1 2 240.303 1.184 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000331363041 386846698 /nfs/dbraw/zinc/84/66/98/386846698.db2.gz ABBMDRBUPDPKAH-XKNYDFJKSA-N 1 2 240.303 1.184 20 0 BDADLO CCOC[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301494309 386847381 /nfs/dbraw/zinc/84/73/81/386847381.db2.gz RQHMRGCBPUTYTO-NSHDSACASA-N 1 2 206.289 1.944 20 0 BDADLO CN(C)c1nccc(C[N@H+](C)Cc2ccoc2)n1 ZINC000341179709 386852913 /nfs/dbraw/zinc/85/29/13/386852913.db2.gz RITKVZWCXLDTGI-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1nccc(C[N@@H+](C)Cc2ccoc2)n1 ZINC000341179709 386852920 /nfs/dbraw/zinc/85/29/20/386852920.db2.gz RITKVZWCXLDTGI-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1nccc(C[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000341187917 386861152 /nfs/dbraw/zinc/86/11/52/386861152.db2.gz PMZMBENWGBUUKG-LBPRGKRZSA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1nccc(C[N@H+]2CC[C@](C)(F)C2)n1 ZINC000341187917 386861158 /nfs/dbraw/zinc/86/11/58/386861158.db2.gz PMZMBENWGBUUKG-LBPRGKRZSA-N 1 2 238.310 1.477 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cc1O ZINC000357905278 386862295 /nfs/dbraw/zinc/86/22/95/386862295.db2.gz DZCFQFXHRNFCGR-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cc1O ZINC000357905278 386862296 /nfs/dbraw/zinc/86/22/96/386862296.db2.gz DZCFQFXHRNFCGR-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C2(CO)CC2)o1 ZINC000331513913 386866185 /nfs/dbraw/zinc/86/61/85/386866185.db2.gz PYBMPEVBGROIIO-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C2(CO)CC2)o1 ZINC000331513913 386866190 /nfs/dbraw/zinc/86/61/90/386866190.db2.gz PYBMPEVBGROIIO-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO COCc1ccc(C[N@H+](C)CCF)o1 ZINC000293712603 386867156 /nfs/dbraw/zinc/86/71/56/386867156.db2.gz SOANQGPINRAILW-UHFFFAOYSA-N 1 2 201.241 1.827 20 0 BDADLO COCc1ccc(C[N@@H+](C)CCF)o1 ZINC000293712603 386867160 /nfs/dbraw/zinc/86/71/60/386867160.db2.gz SOANQGPINRAILW-UHFFFAOYSA-N 1 2 201.241 1.827 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CF)C2)nc1 ZINC000334829671 386867255 /nfs/dbraw/zinc/86/72/55/386867255.db2.gz MIHULTUWVUSSJH-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CF)C2)nc1 ZINC000334829671 386867259 /nfs/dbraw/zinc/86/72/59/386867259.db2.gz MIHULTUWVUSSJH-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ccn2cc(CNc3cnccn3)[nH+]c2c1 ZINC000341254632 386868115 /nfs/dbraw/zinc/86/81/15/386868115.db2.gz AVAZIQXKWHKUKI-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000331545031 386868439 /nfs/dbraw/zinc/86/84/39/386868439.db2.gz QDBJHFQLICPEJP-SNVBAGLBSA-N 1 2 248.330 1.056 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000331545031 386868442 /nfs/dbraw/zinc/86/84/42/386868442.db2.gz QDBJHFQLICPEJP-SNVBAGLBSA-N 1 2 248.330 1.056 20 0 BDADLO CC(C)c1nnc(N2CC[NH+](C)CC2)s1 ZINC000301691461 386868839 /nfs/dbraw/zinc/86/88/39/386868839.db2.gz YWUJKOJCGNOVKF-UHFFFAOYSA-N 1 2 226.349 1.413 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CCC1CC1 ZINC000358123180 386894937 /nfs/dbraw/zinc/89/49/37/386894937.db2.gz JJECECZEGSNULV-CQSZACIVSA-N 1 2 212.318 1.469 20 0 BDADLO CN(CCO)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301850873 386884391 /nfs/dbraw/zinc/88/43/91/386884391.db2.gz AHGODHQJPVDGRN-UHFFFAOYSA-N 1 2 249.318 1.010 20 0 BDADLO CC(C)(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000330742085 386888265 /nfs/dbraw/zinc/88/82/65/386888265.db2.gz QCHHPUGNDDKVSL-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC(C)(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000330742085 386888270 /nfs/dbraw/zinc/88/82/70/386888270.db2.gz QCHHPUGNDDKVSL-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301905665 386889231 /nfs/dbraw/zinc/88/92/31/386889231.db2.gz QHKJROUWCVHRSO-BDAKNGLRSA-N 1 2 246.314 1.641 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCOC1CCC1)CC2 ZINC000367880269 386915827 /nfs/dbraw/zinc/91/58/27/386915827.db2.gz PEPORQZVCWMHHE-UHFFFAOYSA-N 1 2 235.331 1.576 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000331841072 386916798 /nfs/dbraw/zinc/91/67/98/386916798.db2.gz DSXIBWLIFCIKEH-UHFFFAOYSA-N 1 2 246.318 1.210 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000331841072 386916802 /nfs/dbraw/zinc/91/68/02/386916802.db2.gz DSXIBWLIFCIKEH-UHFFFAOYSA-N 1 2 246.318 1.210 20 0 BDADLO Cc1nsc(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000645525113 386896604 /nfs/dbraw/zinc/89/66/04/386896604.db2.gz RPNGHGOZRZQOBL-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1nsc(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000645525113 386896609 /nfs/dbraw/zinc/89/66/09/386896609.db2.gz RPNGHGOZRZQOBL-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO CC(C)c1nc(N2CC[C@@H]([C@H](C)O)C2)cc[nH+]1 ZINC000302013972 386896890 /nfs/dbraw/zinc/89/68/90/386896890.db2.gz DRYOETTXBNSBLE-WDEREUQCSA-N 1 2 235.331 1.807 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@@H]1C1CC1 ZINC000645525163 386897016 /nfs/dbraw/zinc/89/70/16/386897016.db2.gz PRSLUDFRBBYLMG-ZJUUUORDSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@@H]1C1CC1 ZINC000645525163 386897022 /nfs/dbraw/zinc/89/70/22/386897022.db2.gz PRSLUDFRBBYLMG-ZJUUUORDSA-N 1 2 205.261 1.072 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000335764175 386905130 /nfs/dbraw/zinc/90/51/30/386905130.db2.gz MZXDFFRDJMRPNL-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000335764175 386905132 /nfs/dbraw/zinc/90/51/32/386905132.db2.gz MZXDFFRDJMRPNL-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccn1 ZINC000358196462 386911627 /nfs/dbraw/zinc/91/16/27/386911627.db2.gz VXDNLIJKXUWSQO-VIFPVBQESA-N 1 2 244.302 1.254 20 0 BDADLO CC1(C)CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000335769754 386913150 /nfs/dbraw/zinc/91/31/50/386913150.db2.gz NRHIASNIFCJCND-VIFPVBQESA-N 1 2 221.304 1.852 20 0 BDADLO Cc1cncc(N(C)Cc2[nH+]ccn2C)n1 ZINC000302202867 386913441 /nfs/dbraw/zinc/91/34/41/386913441.db2.gz BPSFFDVDAXOWOB-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO Cc1cncc(NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000358255810 386921106 /nfs/dbraw/zinc/92/11/06/386921106.db2.gz MGLINOKSWRTHPW-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO COC1(C[N@@H+]2CCO[C@H](C)[C@H]2C(N)=O)CCC1 ZINC000331935144 386928450 /nfs/dbraw/zinc/92/84/50/386928450.db2.gz ITTVCWWNHUBNEP-ZJUUUORDSA-N 1 2 242.319 1.180 20 0 BDADLO COC1(C[N@H+]2CCO[C@H](C)[C@H]2C(N)=O)CCC1 ZINC000331935144 386928454 /nfs/dbraw/zinc/92/84/54/386928454.db2.gz ITTVCWWNHUBNEP-ZJUUUORDSA-N 1 2 242.319 1.180 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000336762607 386930141 /nfs/dbraw/zinc/93/01/41/386930141.db2.gz NZTORQZRKANQJZ-AEJSXWLSSA-N 1 2 231.361 1.668 20 0 BDADLO CNC(=O)N1CC[NH+](Cc2ccoc2C)CC1 ZINC000334873663 386934627 /nfs/dbraw/zinc/93/46/27/386934627.db2.gz SAGBBJZBFTVAHO-UHFFFAOYSA-N 1 2 237.303 1.045 20 0 BDADLO Cc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)on1 ZINC000330986760 386940147 /nfs/dbraw/zinc/94/01/47/386940147.db2.gz GEYQDSCPLRNASF-JTQLQIEISA-N 1 2 248.286 1.833 20 0 BDADLO COc1ncncc1C[N@H+](C)Cc1ccc[nH]1 ZINC000648012719 386942719 /nfs/dbraw/zinc/94/27/19/386942719.db2.gz QJTZKJWYQYAUAZ-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ncncc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000648012719 386942725 /nfs/dbraw/zinc/94/27/25/386942725.db2.gz QJTZKJWYQYAUAZ-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1CC1)C1CC1 ZINC000341716509 386955842 /nfs/dbraw/zinc/95/58/42/386955842.db2.gz HOVUAJGMVKPIPL-LBPRGKRZSA-N 1 2 233.315 1.788 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC(C)(C)C)on1 ZINC000052723342 386960687 /nfs/dbraw/zinc/96/06/87/386960687.db2.gz AICNADFFFDUADP-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)on1 ZINC000052723342 386960692 /nfs/dbraw/zinc/96/06/92/386960692.db2.gz AICNADFFFDUADP-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368334480 386961853 /nfs/dbraw/zinc/96/18/53/386961853.db2.gz HNFZHJZDCSPSEB-QWHCGFSZSA-N 1 2 203.285 1.968 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368334480 386961859 /nfs/dbraw/zinc/96/18/59/386961859.db2.gz HNFZHJZDCSPSEB-QWHCGFSZSA-N 1 2 203.285 1.968 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368341767 386962905 /nfs/dbraw/zinc/96/29/05/386962905.db2.gz PCIROQQYKOBLAB-NWDGAFQWSA-N 1 2 207.248 1.799 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368341767 386962910 /nfs/dbraw/zinc/96/29/10/386962910.db2.gz PCIROQQYKOBLAB-NWDGAFQWSA-N 1 2 207.248 1.799 20 0 BDADLO c1cncc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368335985 386963135 /nfs/dbraw/zinc/96/31/35/386963135.db2.gz JZGHGJUCLPAVNV-NWDGAFQWSA-N 1 2 204.273 1.097 20 0 BDADLO c1cncc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368335985 386963139 /nfs/dbraw/zinc/96/31/39/386963139.db2.gz JZGHGJUCLPAVNV-NWDGAFQWSA-N 1 2 204.273 1.097 20 0 BDADLO C[N@H+](CCCO)Cc1nc(C2CCCC2)no1 ZINC000332346475 386971530 /nfs/dbraw/zinc/97/15/30/386971530.db2.gz GCWPJBFNABUBDQ-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO C[N@@H+](CCCO)Cc1nc(C2CCCC2)no1 ZINC000332346475 386971537 /nfs/dbraw/zinc/97/15/37/386971537.db2.gz GCWPJBFNABUBDQ-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CS[C@@H](C)CCC(=O)NCCn1cc[nH+]c1 ZINC000358558210 386978907 /nfs/dbraw/zinc/97/89/07/386978907.db2.gz YAKHOYIZCIJGMH-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000352978009 386981712 /nfs/dbraw/zinc/98/17/12/386981712.db2.gz SMSPTOZGPSGYNX-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccnc(C)n1 ZINC000352978009 386981716 /nfs/dbraw/zinc/98/17/16/386981716.db2.gz SMSPTOZGPSGYNX-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000368514075 386983384 /nfs/dbraw/zinc/98/33/84/386983384.db2.gz KNAVHYULWUIJHP-OVXAFGJRSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000368514075 386983387 /nfs/dbraw/zinc/98/33/87/386983387.db2.gz KNAVHYULWUIJHP-OVXAFGJRSA-N 1 2 231.723 1.619 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](COC(F)F)C2)no1 ZINC000353017987 386989853 /nfs/dbraw/zinc/98/98/53/386989853.db2.gz DGEYPFZGVIKJSI-MRVPVSSYSA-N 1 2 247.245 1.439 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](COC(F)F)C2)no1 ZINC000353017987 386989858 /nfs/dbraw/zinc/98/98/58/386989858.db2.gz DGEYPFZGVIKJSI-MRVPVSSYSA-N 1 2 247.245 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC[C@@H]2CO)s1 ZINC000358621896 386990387 /nfs/dbraw/zinc/99/03/87/386990387.db2.gz CKICBVYJOXANPM-SECBINFHSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC[C@@H]2CO)s1 ZINC000358621896 386990391 /nfs/dbraw/zinc/99/03/91/386990391.db2.gz CKICBVYJOXANPM-SECBINFHSA-N 1 2 227.333 1.193 20 0 BDADLO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649788 386998066 /nfs/dbraw/zinc/99/80/66/386998066.db2.gz COTZGDDCUDJMBX-YUMQZZPRSA-N 1 2 210.281 1.273 20 0 BDADLO CC[C@H]1CC[C@H](C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649788 386998068 /nfs/dbraw/zinc/99/80/68/386998068.db2.gz COTZGDDCUDJMBX-YUMQZZPRSA-N 1 2 210.281 1.273 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)SC)c1[nH]cc[nH+]1 ZINC000331260103 387000454 /nfs/dbraw/zinc/00/04/54/387000454.db2.gz AVAWQLVDMGEVKD-YUMQZZPRSA-N 1 2 227.333 1.729 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](CO)C(C)C)c1[nH]cc[nH+]1 ZINC000331259885 387000593 /nfs/dbraw/zinc/00/05/93/387000593.db2.gz ATKDJOIYHDLZPN-VHSXEESVSA-N 1 2 239.319 1.242 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C2CC2)o1 ZINC000303378498 387003081 /nfs/dbraw/zinc/00/30/81/387003081.db2.gz PWLKXNGKDKICQI-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C2CC2)o1 ZINC000303378498 387003096 /nfs/dbraw/zinc/00/30/96/387003096.db2.gz PWLKXNGKDKICQI-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CCO[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000332719385 387003487 /nfs/dbraw/zinc/00/34/87/387003487.db2.gz QTNZCTFUONPZAR-MRVPVSSYSA-N 1 2 236.275 1.491 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCCCCC1 ZINC000334820593 386948861 /nfs/dbraw/zinc/94/88/61/386948861.db2.gz ZYTCCNUJPKIMOS-NSHDSACASA-N 1 2 228.311 1.433 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCCCCC1 ZINC000334820593 386948865 /nfs/dbraw/zinc/94/88/65/386948865.db2.gz ZYTCCNUJPKIMOS-NSHDSACASA-N 1 2 228.311 1.433 20 0 BDADLO C[C@@]1(CNc2cccc[nH+]2)CCC(=O)N1 ZINC000334821463 386949097 /nfs/dbraw/zinc/94/90/97/386949097.db2.gz NAFDNSATQWLFFC-NSHDSACASA-N 1 2 205.261 1.162 20 0 BDADLO CS[C@@H](C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000358418679 386951644 /nfs/dbraw/zinc/95/16/44/386951644.db2.gz UAPLNBDRPHOYBV-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC[C@](F)(CO)C1 ZINC000425384023 387033605 /nfs/dbraw/zinc/03/36/05/387033605.db2.gz QCFUYMIUEFWPLI-GFCCVEGCSA-N 1 2 241.310 1.370 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)C1(CO)CCC1 ZINC000519278313 387049218 /nfs/dbraw/zinc/04/92/18/387049218.db2.gz PZGOODYMZDLVJZ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)C1(CO)CCC1 ZINC000519278313 387049223 /nfs/dbraw/zinc/04/92/23/387049223.db2.gz PZGOODYMZDLVJZ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2snnc2C)CCO1 ZINC000519290132 387050965 /nfs/dbraw/zinc/05/09/65/387050965.db2.gz DVBMHMYKSWWYQT-NSHDSACASA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2snnc2C)CCO1 ZINC000519290132 387050967 /nfs/dbraw/zinc/05/09/67/387050967.db2.gz DVBMHMYKSWWYQT-NSHDSACASA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc[nH+]1 ZINC000399055771 387051105 /nfs/dbraw/zinc/05/11/05/387051105.db2.gz HUJWVIQENPJFKJ-TUAOUCFPSA-N 1 2 233.315 1.382 20 0 BDADLO Cn1cc(CC[N@@H+]2CCC[C@H]2c2ncon2)cn1 ZINC000369582555 387056231 /nfs/dbraw/zinc/05/62/31/387056231.db2.gz CDFFVEAAHKEMNU-NSHDSACASA-N 1 2 247.302 1.183 20 0 BDADLO Cn1cc(CC[N@H+]2CCC[C@H]2c2ncon2)cn1 ZINC000369582555 387056238 /nfs/dbraw/zinc/05/62/38/387056238.db2.gz CDFFVEAAHKEMNU-NSHDSACASA-N 1 2 247.302 1.183 20 0 BDADLO CCS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000334971283 387056656 /nfs/dbraw/zinc/05/66/56/387056656.db2.gz ODJKWSLOAVAHEH-UHFFFAOYSA-N 1 2 228.317 1.138 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)[C@H]1C ZINC000336764608 387060770 /nfs/dbraw/zinc/06/07/70/387060770.db2.gz QHFPCWIGCHKWRC-WCABBAIRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)[C@H]1C ZINC000336764608 387060773 /nfs/dbraw/zinc/06/07/73/387060773.db2.gz QHFPCWIGCHKWRC-WCABBAIRSA-N 1 2 208.309 1.719 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2nc(C)cs2)C1 ZINC000425372228 387011668 /nfs/dbraw/zinc/01/16/68/387011668.db2.gz JFIZNCCSTXZXBJ-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOCC2)n1C1CC1 ZINC000368843773 387014853 /nfs/dbraw/zinc/01/48/53/387014853.db2.gz HORBCBLMEMVVPU-UHFFFAOYSA-N 1 2 236.319 1.144 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOCC2)n1C1CC1 ZINC000368843773 387014860 /nfs/dbraw/zinc/01/48/60/387014860.db2.gz HORBCBLMEMVVPU-UHFFFAOYSA-N 1 2 236.319 1.144 20 0 BDADLO C[C@H](CC(=O)NCc1ccno1)n1cc[nH+]c1 ZINC000514609256 387014985 /nfs/dbraw/zinc/01/49/85/387014985.db2.gz PHWXPDRCLCYSBF-SECBINFHSA-N 1 2 234.259 1.139 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528388921 387015517 /nfs/dbraw/zinc/01/55/17/387015517.db2.gz KUUAEUNETBYSOC-QMMMGPOBSA-N 1 2 241.360 1.618 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528388921 387015520 /nfs/dbraw/zinc/01/55/20/387015520.db2.gz KUUAEUNETBYSOC-QMMMGPOBSA-N 1 2 241.360 1.618 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368886891 387015896 /nfs/dbraw/zinc/01/58/96/387015896.db2.gz FJIBSRGNMKFBIO-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368886891 387015900 /nfs/dbraw/zinc/01/59/00/387015900.db2.gz FJIBSRGNMKFBIO-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO FC(F)(F)COCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854113 387077759 /nfs/dbraw/zinc/07/77/59/387077759.db2.gz RCLKNIWORBIBAH-UHFFFAOYSA-N 1 2 249.236 1.347 20 0 BDADLO FC(F)(F)COCC[N@H+]1CCc2n[nH]cc2C1 ZINC000118854113 387077765 /nfs/dbraw/zinc/07/77/65/387077765.db2.gz RCLKNIWORBIBAH-UHFFFAOYSA-N 1 2 249.236 1.347 20 0 BDADLO C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CC=CCC1 ZINC000336243915 387080607 /nfs/dbraw/zinc/08/06/07/387080607.db2.gz VHLXYOBGWYPHPK-GFCCVEGCSA-N 1 2 219.288 1.772 20 0 BDADLO C[N@H+](CC(=O)NCC1CCC1)Cc1ccco1 ZINC000066472707 387084930 /nfs/dbraw/zinc/08/49/30/387084930.db2.gz QWYJNXDLLGIARE-UHFFFAOYSA-N 1 2 236.315 1.628 20 0 BDADLO C[N@@H+](CC(=O)NCC1CCC1)Cc1ccco1 ZINC000066472707 387084935 /nfs/dbraw/zinc/08/49/35/387084935.db2.gz QWYJNXDLLGIARE-UHFFFAOYSA-N 1 2 236.315 1.628 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC(F)(F)F)C1CC1 ZINC000336765852 387086873 /nfs/dbraw/zinc/08/68/73/387086873.db2.gz OILQLACDPKXZLP-SSDOTTSWSA-N 1 2 241.209 1.064 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000228299323 387088284 /nfs/dbraw/zinc/08/82/84/387088284.db2.gz YYKVAPCTEJUTOK-MNOVXSKESA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000228299323 387088288 /nfs/dbraw/zinc/08/82/88/387088288.db2.gz YYKVAPCTEJUTOK-MNOVXSKESA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](F)C1 ZINC000336259474 387089849 /nfs/dbraw/zinc/08/98/49/387089849.db2.gz DPVPIMMSBSHXHT-BDAKNGLRSA-N 1 2 216.300 1.333 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](F)C1 ZINC000336259474 387089853 /nfs/dbraw/zinc/08/98/53/387089853.db2.gz DPVPIMMSBSHXHT-BDAKNGLRSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)NC1CC1)c1nccs1 ZINC000070732881 387090933 /nfs/dbraw/zinc/09/09/33/387090933.db2.gz PWTGZLIYXJZTHC-SECBINFHSA-N 1 2 239.344 1.462 20 0 BDADLO CC[C@H]([NH2+]CC(=O)NC(C)C)c1nccs1 ZINC000070732878 387091349 /nfs/dbraw/zinc/09/13/49/387091349.db2.gz ZTXBFTMLBHNVRS-VIFPVBQESA-N 1 2 241.360 1.708 20 0 BDADLO CS(=O)(=O)C1C[NH+](CCC2CCCCC2)C1 ZINC000418084925 387093934 /nfs/dbraw/zinc/09/39/34/387093934.db2.gz SPOHFYUIVWUJEY-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO C[C@H](O)CN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000335000128 387094067 /nfs/dbraw/zinc/09/40/67/387094067.db2.gz XFGPKCKMWZNZOZ-QMMMGPOBSA-N 1 2 237.278 1.529 20 0 BDADLO COc1ncccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000336263076 387097382 /nfs/dbraw/zinc/09/73/82/387097382.db2.gz PXTAUSUZTKHQIO-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ncccc1C[N@H+]1CC[C@@H](F)C1 ZINC000336263076 387097386 /nfs/dbraw/zinc/09/73/86/387097386.db2.gz PXTAUSUZTKHQIO-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCCF ZINC000359423229 387100307 /nfs/dbraw/zinc/10/03/07/387100307.db2.gz LSKUGFNZFJIVIL-SNVBAGLBSA-N 1 2 242.298 1.321 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2C[C@@H](O)C2)c1Cl ZINC000336271606 387103571 /nfs/dbraw/zinc/10/35/71/387103571.db2.gz CJIXEMHLMUZMJY-OCAPTIKFSA-N 1 2 212.680 1.979 20 0 BDADLO CC(C)c1nccc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000359456438 387104057 /nfs/dbraw/zinc/10/40/57/387104057.db2.gz ZYGYXLMYPAWIBK-LLVKDONJSA-N 1 2 245.330 1.719 20 0 BDADLO C[C@@]1(F)CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000336275422 387105773 /nfs/dbraw/zinc/10/57/73/387105773.db2.gz MLYUFRKJZCVWSL-HTQZYQBOSA-N 1 2 229.217 1.734 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000336275422 387105775 /nfs/dbraw/zinc/10/57/75/387105775.db2.gz MLYUFRKJZCVWSL-HTQZYQBOSA-N 1 2 229.217 1.734 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000370446999 387115646 /nfs/dbraw/zinc/11/56/46/387115646.db2.gz JHHCKIAFOXUBCE-ZYHUDNBSSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000370446999 387115649 /nfs/dbraw/zinc/11/56/49/387115649.db2.gz JHHCKIAFOXUBCE-ZYHUDNBSSA-N 1 2 234.299 1.638 20 0 BDADLO CC(C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370418967 387116539 /nfs/dbraw/zinc/11/65/39/387116539.db2.gz QANIGBHLLHFLQH-LBPRGKRZSA-N 1 2 249.358 1.998 20 0 BDADLO COC[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353131305 387142408 /nfs/dbraw/zinc/14/24/08/387142408.db2.gz YQMWKGDUJGDZQJ-NSHDSACASA-N 1 2 246.314 1.773 20 0 BDADLO C[C@H]1CCC[C@H]([N@H+](C)Cc2nnn(C)n2)C1 ZINC000193297116 387192583 /nfs/dbraw/zinc/19/25/83/387192583.db2.gz XCGZBGNTXMAAAT-UWVGGRQHSA-N 1 2 223.324 1.221 20 0 BDADLO C[C@H]1CCC[C@H]([N@@H+](C)Cc2nnn(C)n2)C1 ZINC000193297116 387192588 /nfs/dbraw/zinc/19/25/88/387192588.db2.gz XCGZBGNTXMAAAT-UWVGGRQHSA-N 1 2 223.324 1.221 20 0 BDADLO CCC[C@H](CC)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000353160432 387147112 /nfs/dbraw/zinc/14/71/12/387147112.db2.gz DIQSUIIZNKCLTB-DTWKUNHWSA-N 1 2 234.290 1.679 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)[C@@H]1CCSC1 ZINC000120015426 387147457 /nfs/dbraw/zinc/14/74/57/387147457.db2.gz BAOUWUHEALWGTM-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1CCSC1 ZINC000120015426 387147463 /nfs/dbraw/zinc/14/74/63/387147463.db2.gz BAOUWUHEALWGTM-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCC[C@H]1c1ncon1 ZINC000371103922 387147712 /nfs/dbraw/zinc/14/77/12/387147712.db2.gz JRULJHBWKVORSN-BDAKNGLRSA-N 1 2 211.265 1.241 20 0 BDADLO COC[C@@H](C)[N@H+]1CCC[C@H]1c1ncon1 ZINC000371103922 387147718 /nfs/dbraw/zinc/14/77/18/387147718.db2.gz JRULJHBWKVORSN-BDAKNGLRSA-N 1 2 211.265 1.241 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000120033105 387149927 /nfs/dbraw/zinc/14/99/27/387149927.db2.gz PJBMFIFRNSOFHK-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000120033105 387149931 /nfs/dbraw/zinc/14/99/31/387149931.db2.gz PJBMFIFRNSOFHK-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)[C@H]1C ZINC000334094840 387193036 /nfs/dbraw/zinc/19/30/36/387193036.db2.gz QQSGHZTUCKLKGD-CHWFTXMASA-N 1 2 248.330 1.939 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2c1OCO2 ZINC000359796983 387164298 /nfs/dbraw/zinc/16/42/98/387164298.db2.gz QWYHAKUZLQTUTO-UHFFFAOYSA-N 1 2 231.255 1.761 20 0 BDADLO Cc1nnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1C ZINC000359807648 387167813 /nfs/dbraw/zinc/16/78/13/387167813.db2.gz UWDFARYTSVKXJR-SNVBAGLBSA-N 1 2 244.302 1.553 20 0 BDADLO C[C@]12C[C@H]1CCC[C@@H]2NCC(F)(F)C[NH3+] ZINC000423342939 387193295 /nfs/dbraw/zinc/19/32/95/387193295.db2.gz LBRTZGZCBFZDSL-UTLUCORTSA-N 1 2 218.291 1.749 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@H]2C)cs1 ZINC000371199640 387173082 /nfs/dbraw/zinc/17/30/82/387173082.db2.gz VQQHKAKQONVIGE-MRVPVSSYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@H]2C)cs1 ZINC000371199640 387173086 /nfs/dbraw/zinc/17/30/86/387173086.db2.gz VQQHKAKQONVIGE-MRVPVSSYSA-N 1 2 239.344 1.162 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC000571806907 387173572 /nfs/dbraw/zinc/17/35/72/387173572.db2.gz RAFWYTPRQRJXME-DRZSPHRISA-N 1 2 247.342 1.997 20 0 BDADLO CCC[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193435894 387179191 /nfs/dbraw/zinc/17/91/91/387179191.db2.gz OFTICAUFVCCWDS-JTQLQIEISA-N 1 2 223.324 1.222 20 0 BDADLO CCC[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193435894 387179197 /nfs/dbraw/zinc/17/91/97/387179197.db2.gz OFTICAUFVCCWDS-JTQLQIEISA-N 1 2 223.324 1.222 20 0 BDADLO CCC[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193435880 387179978 /nfs/dbraw/zinc/17/99/78/387179978.db2.gz OFTICAUFVCCWDS-SNVBAGLBSA-N 1 2 223.324 1.222 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193435880 387179983 /nfs/dbraw/zinc/17/99/83/387179983.db2.gz OFTICAUFVCCWDS-SNVBAGLBSA-N 1 2 223.324 1.222 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000336352605 387183772 /nfs/dbraw/zinc/18/37/72/387183772.db2.gz IMYQIGMHSWXUBE-PWSUYJOCSA-N 1 2 234.299 1.302 20 0 BDADLO CCc1nc(C(=O)N2CCn3c[nH+]cc3C2)co1 ZINC000571849557 387184005 /nfs/dbraw/zinc/18/40/05/387184005.db2.gz BXLQAZKSAIMENR-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CN(Cc1ccnn1C)c1cccc[nH+]1 ZINC000359902545 387189335 /nfs/dbraw/zinc/18/93/35/387189335.db2.gz PZGBHFSVRGAGJO-UHFFFAOYSA-N 1 2 202.261 1.452 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ncccc1C ZINC000359652092 387140116 /nfs/dbraw/zinc/14/01/16/387140116.db2.gz SPNTXEAKDJNTEN-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ncccc1C ZINC000359652092 387140121 /nfs/dbraw/zinc/14/01/21/387140121.db2.gz SPNTXEAKDJNTEN-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CCC[C@H](O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000370746600 387140912 /nfs/dbraw/zinc/14/09/12/387140912.db2.gz FPCCAUFRNKCZQK-NSHDSACASA-N 1 2 246.314 1.262 20 0 BDADLO CC[C@@H](C)[C@H](C)[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344904 387208558 /nfs/dbraw/zinc/20/85/58/387208558.db2.gz OYKTVZBEHWGFCJ-ZJUUUORDSA-N 1 2 237.351 1.609 20 0 BDADLO CC[C@@H](C)[C@H](C)[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344904 387208565 /nfs/dbraw/zinc/20/85/65/387208565.db2.gz OYKTVZBEHWGFCJ-ZJUUUORDSA-N 1 2 237.351 1.609 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C1CC(O)C1 ZINC000353470275 387209308 /nfs/dbraw/zinc/20/93/08/387209308.db2.gz QMULSGPHLXXUJU-BPCQOVAHSA-N 1 2 249.310 1.356 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C1CC(O)C1 ZINC000353470275 387209310 /nfs/dbraw/zinc/20/93/10/387209310.db2.gz QMULSGPHLXXUJU-BPCQOVAHSA-N 1 2 249.310 1.356 20 0 BDADLO Cc1ccccc1C[NH2+]Cc1ncn(C)n1 ZINC000092851846 387215247 /nfs/dbraw/zinc/21/52/47/387215247.db2.gz HMIYMILRUUNFAY-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO CCCc1nc(C[N@H+](C)CC2(O)CCC2)no1 ZINC000353490470 387215505 /nfs/dbraw/zinc/21/55/05/387215505.db2.gz QWLUMPLWCGCGDU-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@@H+](C)CC2(O)CCC2)no1 ZINC000353490470 387215512 /nfs/dbraw/zinc/21/55/12/387215512.db2.gz QWLUMPLWCGCGDU-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO Cc1nc(N[C@H](CO)c2ccccc2)cc[nH+]1 ZINC000063001711 387221632 /nfs/dbraw/zinc/22/16/32/387221632.db2.gz FERXGQKLDPFFGL-GFCCVEGCSA-N 1 2 229.283 1.931 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H](CO)O1 ZINC000230009420 387226218 /nfs/dbraw/zinc/22/62/18/387226218.db2.gz REEFFDGDTHYCSH-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H](CO)O1 ZINC000230009420 387226221 /nfs/dbraw/zinc/22/62/21/387226221.db2.gz REEFFDGDTHYCSH-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO CN(c1nc(C[N@H+](C)CCO)cs1)C1CC1 ZINC000120375890 387234851 /nfs/dbraw/zinc/23/48/51/387234851.db2.gz IYQMQKAYQRCCDT-UHFFFAOYSA-N 1 2 241.360 1.166 20 0 BDADLO CN(c1nc(C[N@@H+](C)CCO)cs1)C1CC1 ZINC000120375890 387234856 /nfs/dbraw/zinc/23/48/56/387234856.db2.gz IYQMQKAYQRCCDT-UHFFFAOYSA-N 1 2 241.360 1.166 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000360199387 387242377 /nfs/dbraw/zinc/24/23/77/387242377.db2.gz QANHRMJDSSOSLM-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336415954 387243581 /nfs/dbraw/zinc/24/35/81/387243581.db2.gz UCJKRFWJXVWDJG-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000352485766 387249030 /nfs/dbraw/zinc/24/90/30/387249030.db2.gz HQUVLSINUBZRTG-PWSUYJOCSA-N 1 2 247.342 1.810 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000371332770 387194595 /nfs/dbraw/zinc/19/45/95/387194595.db2.gz RNXMSUUJKQZYOD-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCOC(C)(C)C1 ZINC000371332770 387194600 /nfs/dbraw/zinc/19/46/00/387194600.db2.gz RNXMSUUJKQZYOD-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000336364910 387197321 /nfs/dbraw/zinc/19/73/21/387197321.db2.gz UNKABMQSACMXGV-UONOGXRCSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000336364910 387197324 /nfs/dbraw/zinc/19/73/24/387197324.db2.gz UNKABMQSACMXGV-UONOGXRCSA-N 1 2 247.342 1.862 20 0 BDADLO CC(C)C1CC([NH2+]CC(F)(F)CN)C1 ZINC000423347432 387198143 /nfs/dbraw/zinc/19/81/43/387198143.db2.gz QLGIZOUHTZPLMT-UHFFFAOYSA-N 1 2 206.280 1.605 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000336485491 387313735 /nfs/dbraw/zinc/31/37/35/387313735.db2.gz FRKXPAWPRWFXQD-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO CCC1(C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000336485492 387314082 /nfs/dbraw/zinc/31/40/82/387314082.db2.gz FRKXPAWPRWFXQD-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)CO1 ZINC000514933914 387316760 /nfs/dbraw/zinc/31/67/60/387316760.db2.gz DGUXCXPIGHXMQP-GXSJLCMTSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)CO1 ZINC000514933914 387316764 /nfs/dbraw/zinc/31/67/64/387316764.db2.gz DGUXCXPIGHXMQP-GXSJLCMTSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C2CC2)CC1 ZINC000572177524 387256961 /nfs/dbraw/zinc/25/69/61/387256961.db2.gz VHSDCJTXJUYHIR-SECBINFHSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C2CC2)CC1 ZINC000572177524 387256966 /nfs/dbraw/zinc/25/69/66/387256966.db2.gz VHSDCJTXJUYHIR-SECBINFHSA-N 1 2 233.315 1.647 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000336435510 387260804 /nfs/dbraw/zinc/26/08/04/387260804.db2.gz SEGPJYBFEASZDG-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000336435510 387260812 /nfs/dbraw/zinc/26/08/12/387260812.db2.gz SEGPJYBFEASZDG-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO O=C(CC1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336437657 387262118 /nfs/dbraw/zinc/26/21/18/387262118.db2.gz RZGCQPBUMLTLRW-VIFPVBQESA-N 1 2 219.288 1.183 20 0 BDADLO O=C(CC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336437657 387262122 /nfs/dbraw/zinc/26/21/22/387262122.db2.gz RZGCQPBUMLTLRW-VIFPVBQESA-N 1 2 219.288 1.183 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1cccnc1 ZINC000572209697 387267699 /nfs/dbraw/zinc/26/76/99/387267699.db2.gz IIQGFSWVXSOPEV-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000336441813 387271060 /nfs/dbraw/zinc/27/10/60/387271060.db2.gz HCMUJPSWLJMQDX-NSHDSACASA-N 1 2 233.315 1.314 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1ccc(C(N)=O)cc1 ZINC000353815700 387279374 /nfs/dbraw/zinc/27/93/74/387279374.db2.gz KQMRVLXFFBBHJU-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1ccc(C(N)=O)cc1 ZINC000353815700 387279377 /nfs/dbraw/zinc/27/93/77/387279377.db2.gz KQMRVLXFFBBHJU-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC12CCC2 ZINC000336457519 387283978 /nfs/dbraw/zinc/28/39/78/387283978.db2.gz XJISYTDNDVCZNL-NSHDSACASA-N 1 2 248.330 1.610 20 0 BDADLO c1coc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000120960418 387285792 /nfs/dbraw/zinc/28/57/92/387285792.db2.gz RNBLTRYKNNSRQG-LLVKDONJSA-N 1 2 233.271 1.576 20 0 BDADLO CC(F)(F)CC(=O)NCCCCn1cc[nH+]c1 ZINC000514822689 387289336 /nfs/dbraw/zinc/28/93/36/387289336.db2.gz MYOBYLDUIJPRMY-UHFFFAOYSA-N 1 2 245.273 1.825 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC12CCCC2 ZINC000336462689 387293186 /nfs/dbraw/zinc/29/31/86/387293186.db2.gz YZRZJJZUEWAEQS-JTQLQIEISA-N 1 2 233.315 1.948 20 0 BDADLO CC(C)C[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193438745 387293185 /nfs/dbraw/zinc/29/31/85/387293185.db2.gz XHQBYTHCGCTHDX-LLVKDONJSA-N 1 2 237.351 1.468 20 0 BDADLO CC(C)C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193438745 387293190 /nfs/dbraw/zinc/29/31/90/387293190.db2.gz XHQBYTHCGCTHDX-LLVKDONJSA-N 1 2 237.351 1.468 20 0 BDADLO C[C@@H]1OCC[C@@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000372359542 387295327 /nfs/dbraw/zinc/29/53/27/387295327.db2.gz VNSYAVDPXARGNL-QWRGUYRKSA-N 1 2 244.298 1.279 20 0 BDADLO Cc1ccoc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000514873131 387300725 /nfs/dbraw/zinc/30/07/25/387300725.db2.gz XSCDRWMJVDJVJE-JTQLQIEISA-N 1 2 247.298 1.806 20 0 BDADLO Cc1ccoc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000514873131 387300728 /nfs/dbraw/zinc/30/07/28/387300728.db2.gz XSCDRWMJVDJVJE-JTQLQIEISA-N 1 2 247.298 1.806 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCCCO1)CC2 ZINC000373301809 387356542 /nfs/dbraw/zinc/35/65/42/387356542.db2.gz LQHYPSQZGKAUMN-LLVKDONJSA-N 1 2 249.314 1.103 20 0 BDADLO CCn1nnc(C)c1C[NH2+][C@H]1CCCC1(F)F ZINC000648589190 387362127 /nfs/dbraw/zinc/36/21/27/387362127.db2.gz ZWGAXHBZJQEVGR-JTQLQIEISA-N 1 2 244.289 1.884 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC000648592820 387363865 /nfs/dbraw/zinc/36/38/65/387363865.db2.gz KAYUGFZOKQPVEL-UHFFFAOYSA-N 1 2 223.320 1.920 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2(CCO)CC2)[nH+]1 ZINC000431510536 387368912 /nfs/dbraw/zinc/36/89/12/387368912.db2.gz ZGPHTSOUGMAJRN-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373466428 387372912 /nfs/dbraw/zinc/37/29/12/387372912.db2.gz OQIGRJHMEBFPEH-JTQLQIEISA-N 1 2 221.304 1.186 20 0 BDADLO Cc1noc(C[N@@H+]2CCS[C@@H](C(C)C)C2)n1 ZINC000336555249 387377836 /nfs/dbraw/zinc/37/78/36/387377836.db2.gz NABORBOOVBDCCB-SNVBAGLBSA-N 1 2 241.360 1.951 20 0 BDADLO Cc1noc(C[N@H+]2CCS[C@@H](C(C)C)C2)n1 ZINC000336555249 387377840 /nfs/dbraw/zinc/37/78/40/387377840.db2.gz NABORBOOVBDCCB-SNVBAGLBSA-N 1 2 241.360 1.951 20 0 BDADLO CCn1nnc(C)c1CNc1ccc(OC)c[nH+]1 ZINC000648481852 387378548 /nfs/dbraw/zinc/37/85/48/387378548.db2.gz OROAVPFWACTQGF-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO C[C@@H](CF)[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000287161974 387379306 /nfs/dbraw/zinc/37/93/06/387379306.db2.gz IYQYTFZEHXEXDC-OIBJUYFYSA-N 1 2 228.242 1.300 20 0 BDADLO C[C@H](CF)[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000287161978 387379415 /nfs/dbraw/zinc/37/94/15/387379415.db2.gz IYQYTFZEHXEXDC-XCBNKYQSSA-N 1 2 228.242 1.300 20 0 BDADLO CC[C@]1(C(C)C)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000514997546 387320943 /nfs/dbraw/zinc/32/09/43/387320943.db2.gz FYEMFYYRAAAZQU-GXTWGEPZSA-N 1 2 249.358 1.904 20 0 BDADLO COCc1cnc(C[N@H+]2CC[C@@H]2COC)s1 ZINC000354056110 387321540 /nfs/dbraw/zinc/32/15/40/387321540.db2.gz CYAQDGTZVOVLPP-SECBINFHSA-N 1 2 242.344 1.510 20 0 BDADLO COCc1cnc(C[N@@H+]2CC[C@@H]2COC)s1 ZINC000354056110 387321544 /nfs/dbraw/zinc/32/15/44/387321544.db2.gz CYAQDGTZVOVLPP-SECBINFHSA-N 1 2 242.344 1.510 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000360634967 387326430 /nfs/dbraw/zinc/32/64/30/387326430.db2.gz FMHXIIWXISIBOY-SNVBAGLBSA-N 1 2 245.286 1.121 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(C)CCC1 ZINC000336503572 387328317 /nfs/dbraw/zinc/32/83/17/387328317.db2.gz RTMJWZNCKOOIGF-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(F)(F)F ZINC000360663058 387330226 /nfs/dbraw/zinc/33/02/26/387330226.db2.gz ZEGFYQVMCRCDPY-SSDOTTSWSA-N 1 2 249.236 1.420 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1COC[C@H]1O ZINC000336505660 387332644 /nfs/dbraw/zinc/33/26/44/387332644.db2.gz XQLCKDMTWVGPFB-NWDGAFQWSA-N 1 2 243.253 1.156 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1COC[C@H]1O ZINC000336505660 387332647 /nfs/dbraw/zinc/33/26/47/387332647.db2.gz XQLCKDMTWVGPFB-NWDGAFQWSA-N 1 2 243.253 1.156 20 0 BDADLO CCS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000121388968 387344353 /nfs/dbraw/zinc/34/43/53/387344353.db2.gz UBLRAAUONRAZIU-VIFPVBQESA-N 1 2 243.332 1.286 20 0 BDADLO COC1(C)CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336526433 387351258 /nfs/dbraw/zinc/35/12/58/387351258.db2.gz OYYQKJGLHVGXPW-UHFFFAOYSA-N 1 2 235.287 1.065 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3ccco3)C2)c1 ZINC000361255946 387426622 /nfs/dbraw/zinc/42/66/22/387426622.db2.gz XXIYNGYQHZGRDT-UHFFFAOYSA-N 1 2 217.272 1.841 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000374378314 387447970 /nfs/dbraw/zinc/44/79/70/387447970.db2.gz BHICJSBEWMPWLN-JTQLQIEISA-N 1 2 233.315 1.536 20 0 BDADLO CCCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374373272 387448952 /nfs/dbraw/zinc/44/89/52/387448952.db2.gz HHZULUNOKBGQCB-ZDUSSCGKSA-N 1 2 247.342 1.745 20 0 BDADLO CC/C=C/CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000354924840 387449376 /nfs/dbraw/zinc/44/93/76/387449376.db2.gz FEYNXZUYZSRGRB-ONEGZZNKSA-N 1 2 222.292 1.156 20 0 BDADLO CC/C=C/CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000354924840 387449381 /nfs/dbraw/zinc/44/93/81/387449381.db2.gz FEYNXZUYZSRGRB-ONEGZZNKSA-N 1 2 222.292 1.156 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccco1)C2 ZINC000374423143 387452734 /nfs/dbraw/zinc/45/27/34/387452734.db2.gz UXEAYNMTHRVOTQ-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@H]2CCOC2)s1 ZINC000361409612 387458150 /nfs/dbraw/zinc/45/81/50/387458150.db2.gz WNMHJCYDZRGDFL-JTQLQIEISA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@H]2CCOC2)s1 ZINC000361409612 387458153 /nfs/dbraw/zinc/45/81/53/387458153.db2.gz WNMHJCYDZRGDFL-JTQLQIEISA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000516129065 387460180 /nfs/dbraw/zinc/46/01/80/387460180.db2.gz ZBDVNRJTZSMDEU-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000516129065 387460184 /nfs/dbraw/zinc/46/01/84/387460184.db2.gz ZBDVNRJTZSMDEU-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H](CF)Nc1[nH+]cnc2c1cnn2C ZINC000287299681 387398116 /nfs/dbraw/zinc/39/81/16/387398116.db2.gz SUINCZSDXNHEAG-ZCFIWIBFSA-N 1 2 209.228 1.133 20 0 BDADLO CC[C@@H](C)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000423692332 387398478 /nfs/dbraw/zinc/39/84/78/387398478.db2.gz FYZUDMGRXRGHSC-NXEZZACHSA-N 1 2 248.317 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)o1 ZINC000361416399 387460372 /nfs/dbraw/zinc/46/03/72/387460372.db2.gz RWKQCEGZIGULBK-SECBINFHSA-N 1 2 246.257 1.433 20 0 BDADLO Cc1cnc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)o1 ZINC000361416399 387460375 /nfs/dbraw/zinc/46/03/75/387460375.db2.gz RWKQCEGZIGULBK-SECBINFHSA-N 1 2 246.257 1.433 20 0 BDADLO Cc1cnc(CSc2nc(N)cc(C)[nH+]2)nc1 ZINC000361088456 387400678 /nfs/dbraw/zinc/40/06/78/387400678.db2.gz ZSNYPTQJUGUXFO-UHFFFAOYSA-N 1 2 247.327 1.588 20 0 BDADLO CCOc1ncccc1CNc1cc[nH+]c(C)n1 ZINC000361158160 387409510 /nfs/dbraw/zinc/40/95/10/387409510.db2.gz CELMEJPBTZENMC-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000361175539 387411293 /nfs/dbraw/zinc/41/12/93/387411293.db2.gz OZESZENDDLQNAP-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000361175539 387411294 /nfs/dbraw/zinc/41/12/94/387411294.db2.gz OZESZENDDLQNAP-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO CCSCC[C@H](C)[N@H+](C)Cc1nnn(C)n1 ZINC000193469415 387413312 /nfs/dbraw/zinc/41/33/12/387413312.db2.gz TXPYICQSRQDVBX-VIFPVBQESA-N 1 2 243.380 1.174 20 0 BDADLO CCSCC[C@H](C)[N@@H+](C)Cc1nnn(C)n1 ZINC000193469415 387413315 /nfs/dbraw/zinc/41/33/15/387413315.db2.gz TXPYICQSRQDVBX-VIFPVBQESA-N 1 2 243.380 1.174 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](n3cccn3)C2)nc1 ZINC000361592478 387504921 /nfs/dbraw/zinc/50/49/21/387504921.db2.gz BULHPLJLCGWEPR-LBPRGKRZSA-N 1 2 243.314 1.429 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](n3cccn3)C2)nc1 ZINC000361592478 387504926 /nfs/dbraw/zinc/50/49/26/387504926.db2.gz BULHPLJLCGWEPR-LBPRGKRZSA-N 1 2 243.314 1.429 20 0 BDADLO CO[C@@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375044474 387507945 /nfs/dbraw/zinc/50/79/45/387507945.db2.gz YZASWDOQJYLVKD-VHSXEESVSA-N 1 2 237.303 1.498 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1)c1ncn(C)n1 ZINC000275681479 387511038 /nfs/dbraw/zinc/51/10/38/387511038.db2.gz CCQJYKDKRRTWKP-SNVBAGLBSA-N 1 2 216.288 1.666 20 0 BDADLO CCn1cnnc1CNc1[nH+]cccc1OC ZINC000230758276 387511314 /nfs/dbraw/zinc/51/13/14/387511314.db2.gz MPICTRBBQRRBBU-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000355283306 387512683 /nfs/dbraw/zinc/51/26/83/387512683.db2.gz DHWNNAAQUCTUOH-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000355283306 387512684 /nfs/dbraw/zinc/51/26/84/387512684.db2.gz DHWNNAAQUCTUOH-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1C[C@@H](O)C1(C)C ZINC000516491804 387514119 /nfs/dbraw/zinc/51/41/19/387514119.db2.gz LUYVBCWCOOGJFK-NXEZZACHSA-N 1 2 221.304 1.665 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000375306196 387524157 /nfs/dbraw/zinc/52/41/57/387524157.db2.gz BMCXJMRMBGRMJV-JTQLQIEISA-N 1 2 225.317 1.293 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000375306196 387524162 /nfs/dbraw/zinc/52/41/62/387524162.db2.gz BMCXJMRMBGRMJV-JTQLQIEISA-N 1 2 225.317 1.293 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375323252 387525466 /nfs/dbraw/zinc/52/54/66/387525466.db2.gz ZFZSWUFPWWUVJV-WDEREUQCSA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375323252 387525471 /nfs/dbraw/zinc/52/54/71/387525471.db2.gz ZFZSWUFPWWUVJV-WDEREUQCSA-N 1 2 239.344 1.682 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375334408 387529211 /nfs/dbraw/zinc/52/92/11/387529211.db2.gz BYVYIMIAXBXCEO-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375334408 387529215 /nfs/dbraw/zinc/52/92/15/387529215.db2.gz BYVYIMIAXBXCEO-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO FC1(C[NH+]2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000527220292 387535158 /nfs/dbraw/zinc/53/51/58/387535158.db2.gz DGCSKXZUJAWZFK-UHFFFAOYSA-N 1 2 238.310 1.029 20 0 BDADLO FC(F)(F)CN1CC[NH+](CC2(F)CC2)CC1 ZINC000527218564 387538971 /nfs/dbraw/zinc/53/89/71/387538971.db2.gz GOUURWSQXRZFMZ-UHFFFAOYSA-N 1 2 240.244 1.668 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)nc1 ZINC000426137894 387540233 /nfs/dbraw/zinc/54/02/33/387540233.db2.gz GVPAEGXVYCCARK-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)nc1 ZINC000426137894 387540237 /nfs/dbraw/zinc/54/02/37/387540237.db2.gz GVPAEGXVYCCARK-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+](CCO)CC(F)F)CCO1 ZINC000355488491 387540956 /nfs/dbraw/zinc/54/09/56/387540956.db2.gz UVPMLQMTJVNEKL-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+](CCO)CC(F)F)CCO1 ZINC000355488491 387540961 /nfs/dbraw/zinc/54/09/61/387540961.db2.gz UVPMLQMTJVNEKL-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO COC[C@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OC ZINC000355077729 387475140 /nfs/dbraw/zinc/47/51/40/387475140.db2.gz NEOVIWZPQHOBEJ-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO CCc1[nH]ccc1C(=O)Nc1cc[nH+]cc1O ZINC000516200701 387476934 /nfs/dbraw/zinc/47/69/34/387476934.db2.gz BLNQOSXBMHNFMR-UHFFFAOYSA-N 1 2 231.255 1.352 20 0 BDADLO COC[C@H](C)[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000355089910 387477053 /nfs/dbraw/zinc/47/70/53/387477053.db2.gz GKLLZWZDXZXMMV-QMMMGPOBSA-N 1 2 237.278 1.581 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1c(C)noc1C)CC2 ZINC000374691579 387481505 /nfs/dbraw/zinc/48/15/05/387481505.db2.gz DPUACVTYRROOMZ-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccoc1)CC2 ZINC000374716493 387486159 /nfs/dbraw/zinc/48/61/59/387486159.db2.gz PDMCLMXHHQARAF-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)CC1(C)CC1 ZINC000516243448 387486238 /nfs/dbraw/zinc/48/62/38/387486238.db2.gz HWIXEUFPUMLXCA-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)CC1(C)CC1 ZINC000516243448 387486240 /nfs/dbraw/zinc/48/62/40/387486240.db2.gz HWIXEUFPUMLXCA-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000421915005 387486836 /nfs/dbraw/zinc/48/68/36/387486836.db2.gz MEQJEEQRUPDEAO-SECBINFHSA-N 1 2 223.320 1.850 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CSC[C@H]1C ZINC000304519344 387490835 /nfs/dbraw/zinc/49/08/35/387490835.db2.gz PDKBLPNCFJUBCV-OUAUKWLOSA-N 1 2 245.388 1.915 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000362183656 387582200 /nfs/dbraw/zinc/58/22/00/387582200.db2.gz QEBVTKSWPWXEIF-JQWIXIFHSA-N 1 2 219.284 1.995 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000362183656 387582202 /nfs/dbraw/zinc/58/22/02/387582202.db2.gz QEBVTKSWPWXEIF-JQWIXIFHSA-N 1 2 219.284 1.995 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)no1 ZINC000528757753 387588391 /nfs/dbraw/zinc/58/83/91/387588391.db2.gz FSRXHKKVTKTNRU-BIIVNPBRSA-N 1 2 239.319 1.841 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000355885571 387589497 /nfs/dbraw/zinc/58/94/97/387589497.db2.gz YJZQYUFJTAFUOU-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000355885571 387589499 /nfs/dbraw/zinc/58/94/99/387589499.db2.gz YJZQYUFJTAFUOU-ZETCQYMHSA-N 1 2 224.226 1.149 20 0 BDADLO O=C1C[N@@H+](CC2(F)CC2)[C@H]2CCCC[C@@H]2N1 ZINC000527511062 387590492 /nfs/dbraw/zinc/59/04/92/387590492.db2.gz SLCPQNCGDPUQSR-UWVGGRQHSA-N 1 2 226.295 1.232 20 0 BDADLO O=C1C[N@H+](CC2(F)CC2)[C@H]2CCCC[C@@H]2N1 ZINC000527511062 387590494 /nfs/dbraw/zinc/59/04/94/387590494.db2.gz SLCPQNCGDPUQSR-UWVGGRQHSA-N 1 2 226.295 1.232 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(O)cc1F ZINC000355911549 387594006 /nfs/dbraw/zinc/59/40/06/387594006.db2.gz CDRSTVMGJLBWAQ-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000355991560 387602794 /nfs/dbraw/zinc/60/27/94/387602794.db2.gz QXEBBNKYTAZYMQ-CABZTGNLSA-N 1 2 236.315 1.812 20 0 BDADLO c1cn(C[C@@H]2CCCC[N@@H+]2Cc2cnc[nH]2)nn1 ZINC000376021244 387602968 /nfs/dbraw/zinc/60/29/68/387602968.db2.gz KAXDQAWYTSUGSP-LBPRGKRZSA-N 1 2 246.318 1.056 20 0 BDADLO c1cn(C[C@@H]2CCCC[N@H+]2Cc2cnc[nH]2)nn1 ZINC000376021244 387602972 /nfs/dbraw/zinc/60/29/72/387602972.db2.gz KAXDQAWYTSUGSP-LBPRGKRZSA-N 1 2 246.318 1.056 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1cnccn1 ZINC000362394785 387607553 /nfs/dbraw/zinc/60/75/53/387607553.db2.gz FUUCTPMZUXTTLZ-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000361942635 387553694 /nfs/dbraw/zinc/55/36/94/387553694.db2.gz XDAJBRIHSVKNIA-DTWKUNHWSA-N 1 2 237.328 1.169 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CCC[C@@H]1c1nccs1 ZINC000361942635 387553696 /nfs/dbraw/zinc/55/36/96/387553696.db2.gz XDAJBRIHSVKNIA-DTWKUNHWSA-N 1 2 237.328 1.169 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2cnn(C)c2)o1 ZINC000355650004 387561403 /nfs/dbraw/zinc/56/14/03/387561403.db2.gz HNEAAWRCQXMXSC-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2cnn(C)c2)o1 ZINC000355650004 387561405 /nfs/dbraw/zinc/56/14/05/387561405.db2.gz HNEAAWRCQXMXSC-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362092020 387571270 /nfs/dbraw/zinc/57/12/70/387571270.db2.gz ZYCSYPRRVOYYBM-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)no1 ZINC000362092020 387571274 /nfs/dbraw/zinc/57/12/74/387571274.db2.gz ZYCSYPRRVOYYBM-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO CO[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000362126687 387576537 /nfs/dbraw/zinc/57/65/37/387576537.db2.gz UXLAFFRYIBYVCA-SNVBAGLBSA-N 1 2 221.304 1.825 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000375737185 387577643 /nfs/dbraw/zinc/57/76/43/387577643.db2.gz XQVBAHBILNPBED-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCO[C@H](C)C1 ZINC000375737185 387577646 /nfs/dbraw/zinc/57/76/46/387577646.db2.gz XQVBAHBILNPBED-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000375737186 387577719 /nfs/dbraw/zinc/57/77/19/387577719.db2.gz XQVBAHBILNPBED-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000375737186 387577723 /nfs/dbraw/zinc/57/77/23/387577723.db2.gz XQVBAHBILNPBED-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO Fc1ccc(C[NH+]2CC3(C2)CCOC3)nc1 ZINC000527537071 387632698 /nfs/dbraw/zinc/63/26/98/387632698.db2.gz ZRTGJYSOBBPNJX-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569842 387633094 /nfs/dbraw/zinc/63/30/94/387633094.db2.gz ZRKQKZYYXNEREU-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569842 387633098 /nfs/dbraw/zinc/63/30/98/387633098.db2.gz ZRKQKZYYXNEREU-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H](C)C2CCC2)no1 ZINC000356254840 387633746 /nfs/dbraw/zinc/63/37/46/387633746.db2.gz MNBYGXSNONUYSM-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H](C)C2CCC2)no1 ZINC000356254840 387633751 /nfs/dbraw/zinc/63/37/51/387633751.db2.gz MNBYGXSNONUYSM-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO CC[C@H](NC(=O)c1cscn1)c1[nH]cc[nH+]1 ZINC000125197797 387647074 /nfs/dbraw/zinc/64/70/74/387647074.db2.gz BNLCQHRRLJDHBI-ZETCQYMHSA-N 1 2 236.300 1.747 20 0 BDADLO CCSCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356382215 387650906 /nfs/dbraw/zinc/65/09/06/387650906.db2.gz JCKJFRWLFNAIRP-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO CCSCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356382215 387650911 /nfs/dbraw/zinc/65/09/11/387650911.db2.gz JCKJFRWLFNAIRP-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000356401915 387652971 /nfs/dbraw/zinc/65/29/71/387652971.db2.gz XATMJFGYMHIAAB-AXFHLTTASA-N 1 2 223.320 1.716 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000356401915 387652975 /nfs/dbraw/zinc/65/29/75/387652975.db2.gz XATMJFGYMHIAAB-AXFHLTTASA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000356401915 387652976 /nfs/dbraw/zinc/65/29/76/387652976.db2.gz XATMJFGYMHIAAB-AXFHLTTASA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000356401915 387652977 /nfs/dbraw/zinc/65/29/77/387652977.db2.gz XATMJFGYMHIAAB-AXFHLTTASA-N 1 2 223.320 1.716 20 0 BDADLO CSC1(C[N@H+](CCO)CC(F)F)CCC1 ZINC000356427231 387657415 /nfs/dbraw/zinc/65/74/15/387657415.db2.gz OVIBGEGZZRZCIQ-UHFFFAOYSA-N 1 2 239.331 1.832 20 0 BDADLO CSC1(C[N@@H+](CCO)CC(F)F)CCC1 ZINC000356427231 387657421 /nfs/dbraw/zinc/65/74/21/387657421.db2.gz OVIBGEGZZRZCIQ-UHFFFAOYSA-N 1 2 239.331 1.832 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)oc1C ZINC000125546321 387660683 /nfs/dbraw/zinc/66/06/83/387660683.db2.gz BREHQYRKMOPQOS-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422778156 387675308 /nfs/dbraw/zinc/67/53/08/387675308.db2.gz AGUDNOYIECXZDK-JQWIXIFHSA-N 1 2 249.314 1.494 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000114339172 387675465 /nfs/dbraw/zinc/67/54/65/387675465.db2.gz MAXHQQFEUJFMMO-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000440718196 387681771 /nfs/dbraw/zinc/68/17/71/387681771.db2.gz ZLASJIGZHKLGQE-NWDGAFQWSA-N 1 2 232.343 1.387 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000440718196 387681776 /nfs/dbraw/zinc/68/17/76/387681776.db2.gz ZLASJIGZHKLGQE-NWDGAFQWSA-N 1 2 232.343 1.387 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000440766586 387686686 /nfs/dbraw/zinc/68/66/86/387686686.db2.gz RQQFSWHWJXWZDE-VHSXEESVSA-N 1 2 205.273 1.082 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@@H](COC)C1 ZINC000440766586 387686693 /nfs/dbraw/zinc/68/66/93/387686693.db2.gz RQQFSWHWJXWZDE-VHSXEESVSA-N 1 2 205.273 1.082 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1ncccc1F ZINC000527825960 387745502 /nfs/dbraw/zinc/74/55/02/387745502.db2.gz GZRBTUAVVFWEAJ-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO C[C@H]([NH2+]Cc1cncn1C)c1ncccc1F ZINC000527825927 387746221 /nfs/dbraw/zinc/74/62/21/387746221.db2.gz GWRWQILAAZRHJW-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441367152 387749920 /nfs/dbraw/zinc/74/99/20/387749920.db2.gz PJYPEQPPHACEKH-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441367152 387749927 /nfs/dbraw/zinc/74/99/27/387749927.db2.gz PJYPEQPPHACEKH-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000377880033 387754083 /nfs/dbraw/zinc/75/40/83/387754083.db2.gz RCDYMRVJGJMATQ-ZDUSSCGKSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000377880033 387754090 /nfs/dbraw/zinc/75/40/90/387754090.db2.gz RCDYMRVJGJMATQ-ZDUSSCGKSA-N 1 2 228.299 1.762 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000377196821 387698746 /nfs/dbraw/zinc/69/87/46/387698746.db2.gz OINNUHIRGSDVHN-HTQZYQBOSA-N 1 2 225.317 1.154 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000377196821 387698752 /nfs/dbraw/zinc/69/87/52/387698752.db2.gz OINNUHIRGSDVHN-HTQZYQBOSA-N 1 2 225.317 1.154 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000377222001 387703195 /nfs/dbraw/zinc/70/31/95/387703195.db2.gz LHRLTZRBBDDJIN-UTUOFQBUSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000377222001 387703199 /nfs/dbraw/zinc/70/31/99/387703199.db2.gz LHRLTZRBBDDJIN-UTUOFQBUSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C1COC1 ZINC000367241670 387704560 /nfs/dbraw/zinc/70/45/60/387704560.db2.gz SJOLUBWFVBRKGD-JTQLQIEISA-N 1 2 236.319 1.225 20 0 BDADLO C[C@@H](O)CC[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431408042 387707378 /nfs/dbraw/zinc/70/73/78/387707378.db2.gz ADNVAVISOYXSQH-MRVPVSSYSA-N 1 2 237.278 1.317 20 0 BDADLO CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431503633 387713245 /nfs/dbraw/zinc/71/32/45/387713245.db2.gz BWDWPQGCTAVBTA-UHFFFAOYSA-N 1 2 229.283 1.220 20 0 BDADLO Cc1cc(COc2cc[nH+]cc2)ncn1 ZINC000431490531 387714426 /nfs/dbraw/zinc/71/44/26/387714426.db2.gz LEEIRNBVYDMJJA-UHFFFAOYSA-N 1 2 201.229 1.759 20 0 BDADLO Cn1nnnc1CSc1[nH+]cc2ccccn21 ZINC000356784381 387718721 /nfs/dbraw/zinc/71/87/21/387718721.db2.gz SDECCXTVHVBYPE-UHFFFAOYSA-N 1 2 246.299 1.150 20 0 BDADLO OCc1cc[nH+]c(N2CCC(F)(F)C2)c1 ZINC000313275104 387735505 /nfs/dbraw/zinc/73/55/05/387735505.db2.gz YUAVSZXBANELST-UHFFFAOYSA-N 1 2 214.215 1.419 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC[C@@H]2C)oc1C ZINC000367637721 387736131 /nfs/dbraw/zinc/73/61/31/387736131.db2.gz YZUZODKKMOXNEF-VIFPVBQESA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC[C@@H]2C)oc1C ZINC000367637721 387736137 /nfs/dbraw/zinc/73/61/37/387736137.db2.gz YZUZODKKMOXNEF-VIFPVBQESA-N 1 2 224.304 1.902 20 0 BDADLO COC[C@@H]1CCN1c1cc[nH+]c(C(C)C)n1 ZINC000432166058 387767355 /nfs/dbraw/zinc/76/73/55/387767355.db2.gz JNKSXFGUHZKLFD-JTQLQIEISA-N 1 2 221.304 1.825 20 0 BDADLO COc1ccc[nH+]c1N1CCOCC2(CC2)C1 ZINC000527958633 387785984 /nfs/dbraw/zinc/78/59/84/387785984.db2.gz HAUUSKBWDRFDRA-UHFFFAOYSA-N 1 2 234.299 1.707 20 0 BDADLO CCc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000378554698 387789258 /nfs/dbraw/zinc/78/92/58/387789258.db2.gz YOTAPEIFRBJCDW-UHFFFAOYSA-N 1 2 242.326 1.897 20 0 BDADLO CCn1ncc(CN[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000527924144 387791778 /nfs/dbraw/zinc/79/17/78/387791778.db2.gz PMMFPJWQEHKGID-MWLCHTKSSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC12CC(C1)CO2 ZINC000527986701 387803704 /nfs/dbraw/zinc/80/37/04/387803704.db2.gz XENZTFKCFZUJQJ-JNHNWMDNSA-N 1 2 221.304 1.548 20 0 BDADLO Cc1cc(C)c(CNC(=O)NCC2COC2)c[nH+]1 ZINC000527994844 387805955 /nfs/dbraw/zinc/80/59/55/387805955.db2.gz IZWJJZOYJHZVNX-UHFFFAOYSA-N 1 2 249.314 1.144 20 0 BDADLO CC(C)c1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000648527591 387807309 /nfs/dbraw/zinc/80/73/09/387807309.db2.gz QYGBZKRURHUQEY-UHFFFAOYSA-N 1 2 245.330 1.623 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nccn1C(F)F ZINC000193902308 387807954 /nfs/dbraw/zinc/80/79/54/387807954.db2.gz IYQGZOWLGJHFSH-MRVPVSSYSA-N 1 2 233.262 1.745 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000193902308 387807958 /nfs/dbraw/zinc/80/79/58/387807958.db2.gz IYQGZOWLGJHFSH-MRVPVSSYSA-N 1 2 233.262 1.745 20 0 BDADLO COC[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000567288675 387808147 /nfs/dbraw/zinc/80/81/47/387808147.db2.gz WCEAGFHERMLBQE-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO COC[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000567288675 387808151 /nfs/dbraw/zinc/80/81/51/387808151.db2.gz WCEAGFHERMLBQE-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nccn1C(F)F ZINC000193902294 387808536 /nfs/dbraw/zinc/80/85/36/387808536.db2.gz IYQGZOWLGJHFSH-QMMMGPOBSA-N 1 2 233.262 1.745 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000193902294 387808542 /nfs/dbraw/zinc/80/85/42/387808542.db2.gz IYQGZOWLGJHFSH-QMMMGPOBSA-N 1 2 233.262 1.745 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@H](C2CC2)C1 ZINC000527965334 387811613 /nfs/dbraw/zinc/81/16/13/387811613.db2.gz HZNRLXFWJWKBPS-LBPRGKRZSA-N 1 2 234.299 1.705 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](O)C(C)C)[C@@H](C)CC ZINC000432845906 387832081 /nfs/dbraw/zinc/83/20/81/387832081.db2.gz LEYOGZVQPBDCMD-SDDRHHMPSA-N 1 2 245.363 1.571 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000528032872 387833803 /nfs/dbraw/zinc/83/38/03/387833803.db2.gz MMPKKTQWHMOSNG-DTWKUNHWSA-N 1 2 235.287 1.156 20 0 BDADLO Cc1c[nH]c(NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000433025650 387851769 /nfs/dbraw/zinc/85/17/69/387851769.db2.gz AEDMZJNRJRQOAX-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000442881239 387854970 /nfs/dbraw/zinc/85/49/70/387854970.db2.gz MCUMPLAQJJQKKY-ZYHUDNBSSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@](C)(CC)C1 ZINC000442881239 387854973 /nfs/dbraw/zinc/85/49/73/387854973.db2.gz MCUMPLAQJJQKKY-ZYHUDNBSSA-N 1 2 229.320 1.439 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cscn1 ZINC000062661061 387855237 /nfs/dbraw/zinc/85/52/37/387855237.db2.gz GWZLICLNHTVATE-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1CC=CC1 ZINC000528149837 387855728 /nfs/dbraw/zinc/85/57/28/387855728.db2.gz TVJDFSMYXGNIHX-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1CC=CC1 ZINC000528149837 387855736 /nfs/dbraw/zinc/85/57/36/387855736.db2.gz TVJDFSMYXGNIHX-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1CC=CCC1 ZINC000645847774 387857405 /nfs/dbraw/zinc/85/74/05/387857405.db2.gz BPGFLSKGOAWJDQ-UHFFFAOYSA-N 1 2 218.304 1.454 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC=CCC1 ZINC000645847774 387857411 /nfs/dbraw/zinc/85/74/11/387857411.db2.gz BPGFLSKGOAWJDQ-UHFFFAOYSA-N 1 2 218.304 1.454 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866693 387866208 /nfs/dbraw/zinc/86/62/08/387866208.db2.gz WXBRUJSOBWCGOU-SNVBAGLBSA-N 1 2 237.303 1.152 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866693 387866210 /nfs/dbraw/zinc/86/62/10/387866210.db2.gz WXBRUJSOBWCGOU-SNVBAGLBSA-N 1 2 237.303 1.152 20 0 BDADLO Cc1nc(N)c(CNC(=O)C2(C)CCCC2)c[nH+]1 ZINC000564064178 387816789 /nfs/dbraw/zinc/81/67/89/387816789.db2.gz WSLRUQNVULUGIK-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO COc1c(N)[nH+]cnc1NCC[C@@H]1CC=CCC1 ZINC000528184327 387876022 /nfs/dbraw/zinc/87/60/22/387876022.db2.gz YXTPOFLTPAMCHC-SNVBAGLBSA-N 1 2 248.330 1.648 20 0 BDADLO COc1c(N)nc[nH+]c1NCC[C@@H]1CC=CCC1 ZINC000528184327 387876024 /nfs/dbraw/zinc/87/60/24/387876024.db2.gz YXTPOFLTPAMCHC-SNVBAGLBSA-N 1 2 248.330 1.648 20 0 BDADLO CN(C)c1nc(C[NH+]2CCCCCC2)ns1 ZINC000163690013 387876638 /nfs/dbraw/zinc/87/66/38/387876638.db2.gz AUTNGYMUBSLGKN-UHFFFAOYSA-N 1 2 240.376 1.980 20 0 BDADLO COc1ccnc(C[NH2+]Cc2c(C)n[nH]c2C)n1 ZINC000424187056 387904367 /nfs/dbraw/zinc/90/43/67/387904367.db2.gz IMXLXLDNCICUAI-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO OCC[N@H+](Cc1ncccc1Cl)C1CC1 ZINC000528349524 387905931 /nfs/dbraw/zinc/90/59/31/387905931.db2.gz IWXLEESRNLQXDA-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO OCC[N@@H+](Cc1ncccc1Cl)C1CC1 ZINC000528349524 387905932 /nfs/dbraw/zinc/90/59/32/387905932.db2.gz IWXLEESRNLQXDA-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO CS[C@@H](C)CC(=O)NC1=[NH+]CCS1 ZINC000179127816 387929427 /nfs/dbraw/zinc/92/94/27/387929427.db2.gz YRLYFAIILRGZQJ-LURJTMIESA-N 1 2 218.347 1.347 20 0 BDADLO Cc1c(C[N@@H+]2CCc3ncsc3C2)cnn1C ZINC000438363580 387927700 /nfs/dbraw/zinc/92/77/00/387927700.db2.gz HSDWRDJKWYOZEV-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1c(C[N@H+]2CCc3ncsc3C2)cnn1C ZINC000438363580 387927703 /nfs/dbraw/zinc/92/77/03/387927703.db2.gz HSDWRDJKWYOZEV-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438366864 387927790 /nfs/dbraw/zinc/92/77/90/387927790.db2.gz YFFPWFCIEPIRPN-TUAOUCFPSA-N 1 2 237.347 1.901 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000245513371 387953893 /nfs/dbraw/zinc/95/38/93/387953893.db2.gz CKBSRJPNAGBOTP-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000245513371 387953898 /nfs/dbraw/zinc/95/38/98/387953898.db2.gz CKBSRJPNAGBOTP-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO COC[C@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000445647424 387955908 /nfs/dbraw/zinc/95/59/08/387955908.db2.gz FQCRISODZPRAAK-LLVKDONJSA-N 1 2 239.319 1.062 20 0 BDADLO C[N@@H+]1CCc2ncnc(N3CC[C@H](F)C3)c2C1 ZINC000450601313 387940198 /nfs/dbraw/zinc/94/01/98/387940198.db2.gz PDNACMYDWQEDKX-VIFPVBQESA-N 1 2 236.294 1.013 20 0 BDADLO C[N@H+]1CCc2ncnc(N3CC[C@H](F)C3)c2C1 ZINC000450601313 387940201 /nfs/dbraw/zinc/94/02/01/387940201.db2.gz PDNACMYDWQEDKX-VIFPVBQESA-N 1 2 236.294 1.013 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000445008849 387940403 /nfs/dbraw/zinc/94/04/03/387940403.db2.gz LWSSLSHRTKOMCW-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000445008849 387940407 /nfs/dbraw/zinc/94/04/07/387940407.db2.gz LWSSLSHRTKOMCW-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2CC)C[C@@H](C)O1 ZINC000245569806 387961386 /nfs/dbraw/zinc/96/13/86/387961386.db2.gz WNMIPYFTSSHOAV-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CC)C[C@@H](C)O1 ZINC000245569806 387961390 /nfs/dbraw/zinc/96/13/90/387961390.db2.gz WNMIPYFTSSHOAV-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@H](CF)[NH2+]Cc1c(Cl)cnn1C ZINC000288344594 387978540 /nfs/dbraw/zinc/97/85/40/387978540.db2.gz BRTBSRDMJNAHPE-ZCFIWIBFSA-N 1 2 205.664 1.521 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)nn1C ZINC000446070966 387991635 /nfs/dbraw/zinc/99/16/35/387991635.db2.gz IJUFEHQUKXLQDM-QJPTWQEYSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)nn1C ZINC000446070966 387991639 /nfs/dbraw/zinc/99/16/39/387991639.db2.gz IJUFEHQUKXLQDM-QJPTWQEYSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)o1 ZINC000446081404 387997501 /nfs/dbraw/zinc/99/75/01/387997501.db2.gz NPUAZNJEFBPZOG-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)o1 ZINC000446081404 387997505 /nfs/dbraw/zinc/99/75/05/387997505.db2.gz NPUAZNJEFBPZOG-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO CNc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000080538642 387998595 /nfs/dbraw/zinc/99/85/95/387998595.db2.gz QMBQJKLZBZBFAK-UHFFFAOYSA-N 1 2 245.286 1.119 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1O ZINC000080525875 387996713 /nfs/dbraw/zinc/99/67/13/387996713.db2.gz WAXXWDOMWYDZRP-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccc(F)cc2)c[nH+]1 ZINC000082268250 388021106 /nfs/dbraw/zinc/02/11/06/388021106.db2.gz LSUAKWPWEBZRAS-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccccc2)c[nH+]1 ZINC000082268185 388021261 /nfs/dbraw/zinc/02/12/61/388021261.db2.gz NEJFTLHFPPNGFR-UHFFFAOYSA-N 1 2 229.283 1.691 20 0 BDADLO C=Cn1cc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000446816435 388039624 /nfs/dbraw/zinc/03/96/24/388039624.db2.gz FMXZFUWBALNWMD-UHFFFAOYSA-N 1 2 231.303 1.349 20 0 BDADLO CN(CC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000108651209 388041700 /nfs/dbraw/zinc/04/17/00/388041700.db2.gz RVSBMLOAHRERCU-UHFFFAOYSA-N 1 2 244.335 1.186 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000440537723 388052267 /nfs/dbraw/zinc/05/22/67/388052267.db2.gz ZDXMBZPUSKOLOL-BFVZDQMLSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000440537723 388052269 /nfs/dbraw/zinc/05/22/69/388052269.db2.gz ZDXMBZPUSKOLOL-BFVZDQMLSA-N 1 2 221.341 1.577 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC(F)(F)C1 ZINC000440584641 388057097 /nfs/dbraw/zinc/05/70/97/388057097.db2.gz XDOUKHGPGGMUBY-MRVPVSSYSA-N 1 2 243.257 1.433 20 0 BDADLO CNC(=O)CSCc1c[nH+]c2ccccn12 ZINC000440581156 388057135 /nfs/dbraw/zinc/05/71/35/388057135.db2.gz DKWWZEWJJKBSKM-UHFFFAOYSA-N 1 2 235.312 1.314 20 0 BDADLO Cc1ccccc1C1([NH2+]Cc2nncn2C)CC1 ZINC000645980626 388114607 /nfs/dbraw/zinc/11/46/07/388114607.db2.gz WODZVNWQYRSLFW-UHFFFAOYSA-N 1 2 242.326 1.902 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000440692667 388066993 /nfs/dbraw/zinc/06/69/93/388066993.db2.gz LKYINVIXLVPBMV-UTLUCORTSA-N 1 2 239.356 1.488 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000440692667 388066998 /nfs/dbraw/zinc/06/69/98/388066998.db2.gz LKYINVIXLVPBMV-UTLUCORTSA-N 1 2 239.356 1.488 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCS[C@H](C)C1 ZINC000447854338 388098557 /nfs/dbraw/zinc/09/85/57/388098557.db2.gz LICSPTFULDLWSQ-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCS[C@H](C)C1 ZINC000447854338 388098559 /nfs/dbraw/zinc/09/85/59/388098559.db2.gz LICSPTFULDLWSQ-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cnc(N)s2)cn1 ZINC000086766072 388108026 /nfs/dbraw/zinc/10/80/26/388108026.db2.gz LVMGBXMQKTWFQW-UHFFFAOYSA-N 1 2 237.332 1.091 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cnc(N)s2)cn1 ZINC000086766072 388108029 /nfs/dbraw/zinc/10/80/29/388108029.db2.gz LVMGBXMQKTWFQW-UHFFFAOYSA-N 1 2 237.332 1.091 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000448857674 388116065 /nfs/dbraw/zinc/11/60/65/388116065.db2.gz RFSFOYWQNPTXKA-LLVKDONJSA-N 1 2 247.298 1.742 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1CC(C)(O)C1 ZINC000448768700 388110226 /nfs/dbraw/zinc/11/02/26/388110226.db2.gz COAOBTAJGGSNNE-UHFFFAOYSA-N 1 2 249.314 1.247 20 0 BDADLO CC[C@H](F)C[N@H+](CCO)Cc1cnn(CC)c1 ZINC000440515596 388049917 /nfs/dbraw/zinc/04/99/17/388049917.db2.gz RSUKNZSNRMXYTG-LBPRGKRZSA-N 1 2 243.326 1.445 20 0 BDADLO CC[C@H](F)C[N@@H+](CCO)Cc1cnn(CC)c1 ZINC000440515596 388049923 /nfs/dbraw/zinc/04/99/23/388049923.db2.gz RSUKNZSNRMXYTG-LBPRGKRZSA-N 1 2 243.326 1.445 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1c1cc(C)[nH+]cn1 ZINC000447063060 388050090 /nfs/dbraw/zinc/05/00/90/388050090.db2.gz HWKLBLHQTCRZSN-QWRGUYRKSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H](O)CC[C@H]2C)s1 ZINC000646144395 388156423 /nfs/dbraw/zinc/15/64/23/388156423.db2.gz QFHNLICBJFNLOB-VXNVDRBHSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H](O)CC[C@H]2C)s1 ZINC000646144395 388156425 /nfs/dbraw/zinc/15/64/25/388156425.db2.gz QFHNLICBJFNLOB-VXNVDRBHSA-N 1 2 227.333 1.192 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[C@@H]1C1CC1 ZINC000646244236 388170260 /nfs/dbraw/zinc/17/02/60/388170260.db2.gz FWVNQGFRNJCQNW-RTXFEEFZSA-N 1 2 245.326 1.360 20 0 BDADLO O=C(c1ccoc1)N1CCc2[nH]c[nH+]c2C1 ZINC000646260767 388171656 /nfs/dbraw/zinc/17/16/56/388171656.db2.gz GJKDZZDFWARZKT-UHFFFAOYSA-N 1 2 217.228 1.201 20 0 BDADLO O=C(c1ccoc1)N1CCc2[nH+]c[nH]c2C1 ZINC000646260767 388171658 /nfs/dbraw/zinc/17/16/58/388171658.db2.gz GJKDZZDFWARZKT-UHFFFAOYSA-N 1 2 217.228 1.201 20 0 BDADLO CCC[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259301 388171924 /nfs/dbraw/zinc/17/19/24/388171924.db2.gz UXDPUQXRYMYGKT-VIFPVBQESA-N 1 2 221.304 1.731 20 0 BDADLO CCC[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259301 388171926 /nfs/dbraw/zinc/17/19/26/388171926.db2.gz UXDPUQXRYMYGKT-VIFPVBQESA-N 1 2 221.304 1.731 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)o1 ZINC000646258336 388171967 /nfs/dbraw/zinc/17/19/67/388171967.db2.gz QUQBKKVKUCYJDX-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000646258336 388171969 /nfs/dbraw/zinc/17/19/69/388171969.db2.gz QUQBKKVKUCYJDX-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)ns1 ZINC000646257998 388172284 /nfs/dbraw/zinc/17/22/84/388172284.db2.gz WUQBEBCEULUUTD-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)ns1 ZINC000646257998 388172287 /nfs/dbraw/zinc/17/22/87/388172287.db2.gz WUQBEBCEULUUTD-UHFFFAOYSA-N 1 2 248.311 1.373 20 0 BDADLO COc1cccc(C[N@H+](C(C)C)C2COC2)n1 ZINC000449351776 388179805 /nfs/dbraw/zinc/17/98/05/388179805.db2.gz RHAGYGDZKJYUIB-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@@H+](C(C)C)C2COC2)n1 ZINC000449351776 388179807 /nfs/dbraw/zinc/17/98/07/388179807.db2.gz RHAGYGDZKJYUIB-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)C(F)F ZINC000449362622 388182557 /nfs/dbraw/zinc/18/25/57/388182557.db2.gz NOPKWSSVQCPFSX-MRVPVSSYSA-N 1 2 248.298 1.980 20 0 BDADLO CC[C@H]([NH2+]Cc1c(C)cnn1C)C(F)F ZINC000449365499 388183165 /nfs/dbraw/zinc/18/31/65/388183165.db2.gz WGVFGRDOWOPKCT-QMMMGPOBSA-N 1 2 217.263 1.862 20 0 BDADLO C[C@@H]1C[C@H]1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000488508172 388183325 /nfs/dbraw/zinc/18/33/25/388183325.db2.gz ACVBCYCJFFSSOJ-NEPJUHHUSA-N 1 2 247.342 1.986 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)C(F)F ZINC000449364951 388183398 /nfs/dbraw/zinc/18/33/98/388183398.db2.gz ULKYOBBQJHANHM-VHSXEESVSA-N 1 2 236.306 1.340 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnc(OC)n1 ZINC000449017395 388130876 /nfs/dbraw/zinc/13/08/76/388130876.db2.gz PKYBXWUXUBBCAL-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnc(OC)n1 ZINC000449017395 388130878 /nfs/dbraw/zinc/13/08/78/388130878.db2.gz PKYBXWUXUBBCAL-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@H+](C)Cc1ccc[nH]1 ZINC000449038568 388133814 /nfs/dbraw/zinc/13/38/14/388133814.db2.gz VTVYIKPCCJKNOK-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1nccnc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000449038568 388133815 /nfs/dbraw/zinc/13/38/15/388133815.db2.gz VTVYIKPCCJKNOK-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000449042896 388135096 /nfs/dbraw/zinc/13/50/96/388135096.db2.gz UYTRALYJQHPNET-LLVKDONJSA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@@](C)(F)C2)n1 ZINC000449042896 388135097 /nfs/dbraw/zinc/13/50/97/388135097.db2.gz UYTRALYJQHPNET-LLVKDONJSA-N 1 2 225.267 1.419 20 0 BDADLO CC/C=C/CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000454840672 388135836 /nfs/dbraw/zinc/13/58/36/388135836.db2.gz RRSOBMCXEJXLAG-UFFNRZRYSA-N 1 2 248.330 1.463 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CN(C)C(=O)[C@H]1C ZINC000646123597 388146827 /nfs/dbraw/zinc/14/68/27/388146827.db2.gz CAZMUSOKLDFRCU-SNVBAGLBSA-N 1 2 236.319 1.084 20 0 BDADLO CCn1nc(C)c(C[NH2+]C(CF)CF)c1C ZINC000449377478 388187131 /nfs/dbraw/zinc/18/71/31/388187131.db2.gz AKFGAVWLXYDNHQ-UHFFFAOYSA-N 1 2 231.290 1.917 20 0 BDADLO CCC1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000449657360 388249315 /nfs/dbraw/zinc/24/93/15/388249315.db2.gz OVCWHHXDOCWSHT-SECBINFHSA-N 1 2 246.301 1.538 20 0 BDADLO FC1(F)C[C@H]2C[N@H+](Cc3ccno3)CCN2C1 ZINC000645937075 388253226 /nfs/dbraw/zinc/25/32/26/388253226.db2.gz CQMKVUVVYSZFDK-VIFPVBQESA-N 1 2 243.257 1.200 20 0 BDADLO FC1(F)C[C@H]2C[N@@H+](Cc3ccno3)CCN2C1 ZINC000645937075 388253227 /nfs/dbraw/zinc/25/32/27/388253227.db2.gz CQMKVUVVYSZFDK-VIFPVBQESA-N 1 2 243.257 1.200 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](OC(C)C)C2)n1 ZINC000645946066 388257863 /nfs/dbraw/zinc/25/78/63/388257863.db2.gz VFNFISAXBPKLKQ-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](OC(C)C)C2)n1 ZINC000645946066 388257864 /nfs/dbraw/zinc/25/78/64/388257864.db2.gz VFNFISAXBPKLKQ-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)[nH]1 ZINC000449395754 388192630 /nfs/dbraw/zinc/19/26/30/388192630.db2.gz QQMKERIFKIYIOY-QMMMGPOBSA-N 1 2 226.251 1.345 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](F)C2)[nH]1 ZINC000449395754 388192632 /nfs/dbraw/zinc/19/26/32/388192632.db2.gz QQMKERIFKIYIOY-QMMMGPOBSA-N 1 2 226.251 1.345 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC000449393663 388193314 /nfs/dbraw/zinc/19/33/14/388193314.db2.gz MNGZRQZQKOCLNB-MRVPVSSYSA-N 1 2 211.240 1.029 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC000449393663 388193315 /nfs/dbraw/zinc/19/33/15/388193315.db2.gz MNGZRQZQKOCLNB-MRVPVSSYSA-N 1 2 211.240 1.029 20 0 BDADLO Cn1c[nH+]cc1Cn1c2ccccc2sc1=O ZINC000488875768 388198591 /nfs/dbraw/zinc/19/85/91/388198591.db2.gz XHESCJUCZDKCIF-UHFFFAOYSA-N 1 2 245.307 1.845 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000488992693 388201142 /nfs/dbraw/zinc/20/11/42/388201142.db2.gz LDDYMJSDQQFUIP-MNOVXSKESA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000488992693 388201144 /nfs/dbraw/zinc/20/11/44/388201144.db2.gz LDDYMJSDQQFUIP-MNOVXSKESA-N 1 2 238.335 1.155 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)[C@H]1CC1(C)C ZINC000489468040 388216452 /nfs/dbraw/zinc/21/64/52/388216452.db2.gz GXWGOQYRMGGBSK-LBPRGKRZSA-N 1 2 220.316 1.938 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489468040 388216455 /nfs/dbraw/zinc/21/64/55/388216455.db2.gz GXWGOQYRMGGBSK-LBPRGKRZSA-N 1 2 220.316 1.938 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2csnn2)CC1(C)C ZINC000449498016 388218917 /nfs/dbraw/zinc/21/89/17/388218917.db2.gz JONSHICRYAZEJU-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2csnn2)CC1(C)C ZINC000449498016 388218919 /nfs/dbraw/zinc/21/89/19/388218919.db2.gz JONSHICRYAZEJU-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000449514325 388221779 /nfs/dbraw/zinc/22/17/79/388221779.db2.gz VUPOZROODWMLGB-MNOVXSKESA-N 1 2 237.303 1.231 20 0 BDADLO CCOc1ccccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000449521806 388223379 /nfs/dbraw/zinc/22/33/79/388223379.db2.gz HQRCQZAJWQENEQ-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1ccccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000449521806 388223382 /nfs/dbraw/zinc/22/33/82/388223382.db2.gz HQRCQZAJWQENEQ-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](O)[C@@H](C)C2)[nH+]1 ZINC000489891235 388227345 /nfs/dbraw/zinc/22/73/45/388227345.db2.gz FJUMFFAQKKENRZ-GZMMTYOYSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc(N2CCC(O)(C(F)F)CC2)cc[nH+]1 ZINC000490009019 388230934 /nfs/dbraw/zinc/23/09/34/388230934.db2.gz FSRXMPDIEGEPMJ-UHFFFAOYSA-N 1 2 243.257 1.381 20 0 BDADLO Cc1nc(N(C)C)nc(NC2C(C)(C)C2(C)C)[nH+]1 ZINC000490081295 388234384 /nfs/dbraw/zinc/23/43/84/388234384.db2.gz QXZJMUCGBFXMIM-UHFFFAOYSA-N 1 2 249.362 1.514 20 0 BDADLO Cc1nc(NC2C(C)(C)C2(C)C)nc(N(C)C)[nH+]1 ZINC000490081295 388234386 /nfs/dbraw/zinc/23/43/86/388234386.db2.gz QXZJMUCGBFXMIM-UHFFFAOYSA-N 1 2 249.362 1.514 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000449581697 388237297 /nfs/dbraw/zinc/23/72/97/388237297.db2.gz BMPQFLSFHFUSJG-LBPRGKRZSA-N 1 2 239.363 1.947 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2COCC2(C)C)no1 ZINC000451811015 388297921 /nfs/dbraw/zinc/29/79/21/388297921.db2.gz QJGFRAJKRWHBEE-VIFPVBQESA-N 1 2 239.319 1.708 20 0 BDADLO CC(C)(C)/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000491841344 388324387 /nfs/dbraw/zinc/32/43/87/388324387.db2.gz DATMLAXBRFQKOZ-AATRIKPKSA-N 1 2 235.331 1.992 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000451320458 388262124 /nfs/dbraw/zinc/26/21/24/388262124.db2.gz AOQXXDBXVSHWHK-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000451320458 388262126 /nfs/dbraw/zinc/26/21/26/388262126.db2.gz AOQXXDBXVSHWHK-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000451320570 388262196 /nfs/dbraw/zinc/26/21/96/388262196.db2.gz AOQXXDBXVSHWHK-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000451320570 388262198 /nfs/dbraw/zinc/26/21/98/388262198.db2.gz AOQXXDBXVSHWHK-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(CCO)CC1 ZINC000493841046 256616161 /nfs/dbraw/zinc/61/61/61/256616161.db2.gz WOAMJLSEMQHWPS-UPHRSURJSA-N 1 2 249.314 1.044 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000451381497 388267592 /nfs/dbraw/zinc/26/75/92/388267592.db2.gz USPGVPWTXNZITE-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451381497 388267594 /nfs/dbraw/zinc/26/75/94/388267594.db2.gz USPGVPWTXNZITE-NSHDSACASA-N 1 2 235.331 1.428 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451418451 388271474 /nfs/dbraw/zinc/27/14/74/388271474.db2.gz MKNHZOOYWUEOTN-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451418451 388271475 /nfs/dbraw/zinc/27/14/75/388271475.db2.gz MKNHZOOYWUEOTN-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO O=c1[nH]nc(C[NH2+][C@@H]2CCC23CCCC3)[nH]1 ZINC000451457375 388276040 /nfs/dbraw/zinc/27/60/40/388276040.db2.gz MPMQWPQIBYEEHO-MRVPVSSYSA-N 1 2 222.292 1.323 20 0 BDADLO Cn1cc(C[NH2+]C(C)(C)c2ccccc2F)nn1 ZINC000492335720 388341794 /nfs/dbraw/zinc/34/17/94/388341794.db2.gz SZDGNIWVSKTUCN-UHFFFAOYSA-N 1 2 248.305 1.979 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NOC1CCCC1 ZINC000492347517 388342444 /nfs/dbraw/zinc/34/24/44/388342444.db2.gz YJPBWWJNAFFSNB-BQYQJAHWSA-N 1 2 249.314 1.907 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ncc(C)o1 ZINC000492409271 388343824 /nfs/dbraw/zinc/34/38/24/388343824.db2.gz PCQJIMPLXAOTCU-SNAWJCMRSA-N 1 2 246.270 1.851 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1CCOCC(F)F ZINC000516565166 388348692 /nfs/dbraw/zinc/34/86/92/388348692.db2.gz KNUVQTFPDAWKKX-JTQLQIEISA-N 1 2 236.306 1.294 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1CCOCC(F)F ZINC000516565166 388348696 /nfs/dbraw/zinc/34/86/96/388348696.db2.gz KNUVQTFPDAWKKX-JTQLQIEISA-N 1 2 236.306 1.294 20 0 BDADLO O=C(Cc1ccsc1)N1CC(n2cc[nH+]c2)C1 ZINC000524182602 388349009 /nfs/dbraw/zinc/34/90/09/388349009.db2.gz RCZBJUPSUQOTJO-UHFFFAOYSA-N 1 2 247.323 1.571 20 0 BDADLO COC(=O)C[N@H+](Cc1cncnc1)C1CCCC1 ZINC000131668673 388349243 /nfs/dbraw/zinc/34/92/43/388349243.db2.gz SOJHHLMTTAATSP-UHFFFAOYSA-N 1 2 249.314 1.394 20 0 BDADLO COC(=O)C[N@@H+](Cc1cncnc1)C1CCCC1 ZINC000131668673 388349245 /nfs/dbraw/zinc/34/92/45/388349245.db2.gz SOJHHLMTTAATSP-UHFFFAOYSA-N 1 2 249.314 1.394 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H](C)c1ncnn1C ZINC000276623668 388351198 /nfs/dbraw/zinc/35/11/98/388351198.db2.gz FIQGRODCPZLFIE-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO C[C@@H](NCc1[nH+]ccn1C)C(F)(F)F ZINC000277186515 388352918 /nfs/dbraw/zinc/35/29/18/388352918.db2.gz UISBTMLBOYBBTD-ZCFIWIBFSA-N 1 2 207.199 1.461 20 0 BDADLO O=C([C@@H]1CC=CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000524375106 388356683 /nfs/dbraw/zinc/35/66/83/388356683.db2.gz DVMFMBVCTHYZSN-LLVKDONJSA-N 1 2 231.299 1.623 20 0 BDADLO CC(C)SCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524397704 388358679 /nfs/dbraw/zinc/35/86/79/388358679.db2.gz SYHWWDPWASEGOA-UHFFFAOYSA-N 1 2 239.344 1.408 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](CO)C2)o1 ZINC000304341724 388359104 /nfs/dbraw/zinc/35/91/04/388359104.db2.gz XAASLHARIKGXOA-JTQLQIEISA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](CO)C2)o1 ZINC000304341724 388359106 /nfs/dbraw/zinc/35/91/06/388359106.db2.gz XAASLHARIKGXOA-JTQLQIEISA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000230267543 388365011 /nfs/dbraw/zinc/36/50/11/388365011.db2.gz XQTDZRNLOCFHOW-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000230267543 388365014 /nfs/dbraw/zinc/36/50/14/388365014.db2.gz XQTDZRNLOCFHOW-QWRGUYRKSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000573005574 388405380 /nfs/dbraw/zinc/40/53/80/388405380.db2.gz UDQZRLZEBJOLBS-NWDGAFQWSA-N 1 2 233.315 1.473 20 0 BDADLO Cn1ccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000291640306 388376325 /nfs/dbraw/zinc/37/63/25/388376325.db2.gz TUFZFTJRRYJHOY-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO Cc1cccn2cc(Cn3ccnn3)[nH+]c12 ZINC000572812807 388377814 /nfs/dbraw/zinc/37/78/14/388377814.db2.gz SRICECQUDMIZPY-UHFFFAOYSA-N 1 2 213.244 1.283 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000572816335 388378439 /nfs/dbraw/zinc/37/84/39/388378439.db2.gz YLLZXIVDBJPDJB-WDEREUQCSA-N 1 2 245.282 1.242 20 0 BDADLO CCO[C@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236914139 388386931 /nfs/dbraw/zinc/38/69/31/388386931.db2.gz GSMHEFQIWRRBAF-SNVBAGLBSA-N 1 2 236.315 1.770 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)C(C)(F)F ZINC000293568600 388390997 /nfs/dbraw/zinc/39/09/97/388390997.db2.gz DJFZGHCDVSQCDO-ZCFIWIBFSA-N 1 2 217.219 1.317 20 0 BDADLO COc1ncccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000293860366 388392953 /nfs/dbraw/zinc/39/29/53/388392953.db2.gz DGUYSUYHJSQWKK-NSHDSACASA-N 1 2 244.298 1.521 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000573016129 388406594 /nfs/dbraw/zinc/40/65/94/388406594.db2.gz IKQNEORFLFDQAA-JTQLQIEISA-N 1 2 246.314 1.984 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@@H](C)c1nccc(N)n1 ZINC000573016129 388406596 /nfs/dbraw/zinc/40/65/96/388406596.db2.gz IKQNEORFLFDQAA-JTQLQIEISA-N 1 2 246.314 1.984 20 0 BDADLO CS[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000294461318 388400686 /nfs/dbraw/zinc/40/06/86/388400686.db2.gz UGGWZNLEWPBMIZ-LURJTMIESA-N 1 2 244.751 1.654 20 0 BDADLO CS[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000294461318 388400688 /nfs/dbraw/zinc/40/06/88/388400688.db2.gz UGGWZNLEWPBMIZ-LURJTMIESA-N 1 2 244.751 1.654 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1CC(C)(C)C1 ZINC000572985780 388402578 /nfs/dbraw/zinc/40/25/78/388402578.db2.gz PHVWAIRSLTWLIS-UHFFFAOYSA-N 1 2 236.319 1.337 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1CC(C)(C)C1 ZINC000572985780 388402582 /nfs/dbraw/zinc/40/25/82/388402582.db2.gz PHVWAIRSLTWLIS-UHFFFAOYSA-N 1 2 236.319 1.337 20 0 BDADLO CCSCC[N@H+](C)Cc1nncn1C ZINC000336685770 388403678 /nfs/dbraw/zinc/40/36/78/388403678.db2.gz LAFNCGYMHQZPEI-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO CCSCC[N@@H+](C)Cc1nncn1C ZINC000336685770 388403682 /nfs/dbraw/zinc/40/36/82/388403682.db2.gz LAFNCGYMHQZPEI-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO C/C=C(/C=C/C(=O)NCCn1cc[nH+]c1)CC ZINC000492116491 388335626 /nfs/dbraw/zinc/33/56/26/388335626.db2.gz VNWPHTMTAYPBNA-VLLKVAHVSA-N 1 2 233.315 1.912 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1CCCO1 ZINC000492277591 388340207 /nfs/dbraw/zinc/34/02/07/388340207.db2.gz OLDYAMAHQMGYCS-ISALQUGTSA-N 1 2 249.314 1.211 20 0 BDADLO CO[C@@H](C)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000330363639 388443219 /nfs/dbraw/zinc/44/32/19/388443219.db2.gz NAOICMHJTNMISQ-ZETCQYMHSA-N 1 2 213.281 1.238 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649218486 388459218 /nfs/dbraw/zinc/45/92/18/388459218.db2.gz GUKLPDZPCHOWOE-SECBINFHSA-N 1 2 237.278 1.016 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649218566 388459451 /nfs/dbraw/zinc/45/94/51/388459451.db2.gz NZOAMMBCTRYHLV-SNVBAGLBSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000649215396 388459547 /nfs/dbraw/zinc/45/95/47/388459547.db2.gz KZCKNEPWOBQCTO-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO CCC[C@@H]([NH2+]CCSCC)C(=O)OC ZINC000336670939 388461660 /nfs/dbraw/zinc/46/16/60/388461660.db2.gz YNURODCDGHFIJI-SECBINFHSA-N 1 2 219.350 1.671 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1ccc(C)cn1 ZINC000336717721 388467987 /nfs/dbraw/zinc/46/79/87/388467987.db2.gz WZBRGMALRZHCQU-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CC[C@H](O)CCCNc1[nH+]cnc2c1cnn2C ZINC000337619003 388473038 /nfs/dbraw/zinc/47/30/38/388473038.db2.gz PPWNQNOUMQMELH-VIFPVBQESA-N 1 2 249.318 1.326 20 0 BDADLO C[C@@H](CC(C)(C)O)Nc1nc[nH+]c(N)c1Cl ZINC000295070247 388407748 /nfs/dbraw/zinc/40/77/48/388407748.db2.gz WIBQRIFVWXOPPY-LURJTMIESA-N 1 2 244.726 1.674 20 0 BDADLO C[C@@H](CC(C)(C)O)Nc1[nH+]cnc(N)c1Cl ZINC000295070247 388407752 /nfs/dbraw/zinc/40/77/52/388407752.db2.gz WIBQRIFVWXOPPY-LURJTMIESA-N 1 2 244.726 1.674 20 0 BDADLO Cc1nc(C)c(C[NH+]2CCOCC2)s1 ZINC000172729085 388410923 /nfs/dbraw/zinc/41/09/23/388410923.db2.gz DUTSPFPACARFCX-UHFFFAOYSA-N 1 2 212.318 1.592 20 0 BDADLO CCC(O)(CC)CNc1nc(C)[nH+]cc1C ZINC000573049201 388412119 /nfs/dbraw/zinc/41/21/19/388412119.db2.gz JUCDUIMCGRVUOY-UHFFFAOYSA-N 1 2 223.320 1.478 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccns2)s1 ZINC000404459145 388420995 /nfs/dbraw/zinc/42/09/95/388420995.db2.gz PFCBCDAFUQPQFD-UHFFFAOYSA-N 1 2 226.330 1.593 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000166688779 388429482 /nfs/dbraw/zinc/42/94/82/388429482.db2.gz LAUXOOXLOXSDGL-UHFFFAOYSA-N 1 2 221.260 1.439 20 0 BDADLO O=C1CCCN1CCCNc1cccc[nH+]1 ZINC000298203096 388436355 /nfs/dbraw/zinc/43/63/55/388436355.db2.gz MBUWZZAPLGQTRD-UHFFFAOYSA-N 1 2 219.288 1.506 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000528514948 388539683 /nfs/dbraw/zinc/53/96/83/388539683.db2.gz BKNNZFJXHAYEOI-JTQLQIEISA-N 1 2 239.290 1.539 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc(CO)ccc1F ZINC000528514948 388539685 /nfs/dbraw/zinc/53/96/85/388539685.db2.gz BKNNZFJXHAYEOI-JTQLQIEISA-N 1 2 239.290 1.539 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OCC ZINC000356277566 388547991 /nfs/dbraw/zinc/54/79/91/388547991.db2.gz HNIFQMSNABKEND-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO C=C/C(C)=C\CC(=O)NCc1c[nH+]c(C)nc1N ZINC000648902067 388486955 /nfs/dbraw/zinc/48/69/55/388486955.db2.gz JZXPGTZYOJJUSI-UITAMQMPSA-N 1 2 246.314 1.336 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OC ZINC000135243533 388487334 /nfs/dbraw/zinc/48/73/34/388487334.db2.gz JNRFHQGTGCMYKS-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO CCCC[C@@H]([NH2+]CCCF)C(=O)OC ZINC000135251575 388487378 /nfs/dbraw/zinc/48/73/78/388487378.db2.gz IMNKEEQPRDGAOD-SECBINFHSA-N 1 2 205.273 1.667 20 0 BDADLO COCCC1CC[NH+](Cc2nncn2C)CC1 ZINC000528576610 388548650 /nfs/dbraw/zinc/54/86/50/388548650.db2.gz CHWLERYSNHIFNI-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO CCC1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000547864914 388492583 /nfs/dbraw/zinc/49/25/83/388492583.db2.gz WGVPRVYPVBEIAX-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cc1ccncc1NC(=O)Cc1c[nH+]cn1C ZINC000547867960 388493936 /nfs/dbraw/zinc/49/39/36/388493936.db2.gz DEWVDQVCTAKECA-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccno1 ZINC000547947602 388497636 /nfs/dbraw/zinc/49/76/36/388497636.db2.gz OFHFLZHPFVMWBH-VIFPVBQESA-N 1 2 239.319 1.410 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccno1 ZINC000547947602 388497638 /nfs/dbraw/zinc/49/76/38/388497638.db2.gz OFHFLZHPFVMWBH-VIFPVBQESA-N 1 2 239.319 1.410 20 0 BDADLO COc1cc[nH+]c(CN2CCOCC23CCC3)c1 ZINC000135516952 388498554 /nfs/dbraw/zinc/49/85/54/388498554.db2.gz UYCVQZXHXAVRPD-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccnc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000135516952 388498556 /nfs/dbraw/zinc/49/85/56/388498556.db2.gz UYCVQZXHXAVRPD-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccnc(C[N@H+]2CCOCC23CCC3)c1 ZINC000135516952 388498558 /nfs/dbraw/zinc/49/85/58/388498558.db2.gz UYCVQZXHXAVRPD-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CC(C)[C@H](CO)C[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000343806210 388502910 /nfs/dbraw/zinc/50/29/10/388502910.db2.gz KGOYZEPQARGWIH-JTQLQIEISA-N 1 2 233.315 1.661 20 0 BDADLO CCCCn1nnnc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000548626290 388549290 /nfs/dbraw/zinc/54/92/90/388549290.db2.gz OLTMIQBGLJHYLB-SECBINFHSA-N 1 2 249.322 1.047 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000548629854 388549329 /nfs/dbraw/zinc/54/93/29/388549329.db2.gz RTBWOEXEPSZIOX-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000548629854 388549331 /nfs/dbraw/zinc/54/93/31/388549331.db2.gz RTBWOEXEPSZIOX-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)O1 ZINC000397904009 388511000 /nfs/dbraw/zinc/51/10/00/388511000.db2.gz UUZPWHVJFJNFMG-BDAKNGLRSA-N 1 2 247.302 1.343 20 0 BDADLO Fc1cnc(NCCCCn2cc[nH+]c2)nc1 ZINC000135883340 388514023 /nfs/dbraw/zinc/51/40/23/388514023.db2.gz NHLMUMXUPBLLAW-UHFFFAOYSA-N 1 2 235.266 1.705 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)Cc1ccccc1 ZINC000548132424 388515462 /nfs/dbraw/zinc/51/54/62/388515462.db2.gz IOODTNLCZDKUBA-UHFFFAOYSA-N 1 2 243.310 1.322 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OC ZINC000398046341 388515828 /nfs/dbraw/zinc/51/58/28/388515828.db2.gz BJCGJZQMPPFDKP-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000078885886 388516128 /nfs/dbraw/zinc/51/61/28/388516128.db2.gz MIQRZGCJTRHQAN-SNVBAGLBSA-N 1 2 247.298 1.197 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@@H]1C)n1cc[nH+]c1 ZINC000517034191 256812909 /nfs/dbraw/zinc/81/29/09/256812909.db2.gz UYTMXDNGQWPVNN-WDEREUQCSA-N 1 2 221.304 1.845 20 0 BDADLO C/C(Cl)=C/CN(C)Cc1[nH+]ccn1C ZINC000528426164 388523068 /nfs/dbraw/zinc/52/30/68/388523068.db2.gz QMLUWMGQJYXXSU-WTKPLQERSA-N 1 2 213.712 1.995 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000528427783 388523377 /nfs/dbraw/zinc/52/33/77/388523377.db2.gz KYOYIDTYUOIRIP-APPZFPTMSA-N 1 2 239.344 1.371 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnc(C2CC2)s1 ZINC000528427783 388523379 /nfs/dbraw/zinc/52/33/79/388523379.db2.gz KYOYIDTYUOIRIP-APPZFPTMSA-N 1 2 239.344 1.371 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000528427786 388523953 /nfs/dbraw/zinc/52/39/53/388523953.db2.gz KYOYIDTYUOIRIP-VXNVDRBHSA-N 1 2 239.344 1.371 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)s1 ZINC000528427786 388523955 /nfs/dbraw/zinc/52/39/55/388523955.db2.gz KYOYIDTYUOIRIP-VXNVDRBHSA-N 1 2 239.344 1.371 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C=C(\C)Cl ZINC000528434712 388525003 /nfs/dbraw/zinc/52/50/03/388525003.db2.gz XNQTUZLADLQYMB-NAZIUFLLSA-N 1 2 230.739 1.730 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C=C(\C)Cl ZINC000528434712 388525005 /nfs/dbraw/zinc/52/50/05/388525005.db2.gz XNQTUZLADLQYMB-NAZIUFLLSA-N 1 2 230.739 1.730 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000528472214 388531619 /nfs/dbraw/zinc/53/16/19/388531619.db2.gz BMEXUBFKWBOEBY-KDKBWWKWSA-N 1 2 235.780 1.829 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000528472214 388531621 /nfs/dbraw/zinc/53/16/21/388531621.db2.gz BMEXUBFKWBOEBY-KDKBWWKWSA-N 1 2 235.780 1.829 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000528477007 388532379 /nfs/dbraw/zinc/53/23/79/388532379.db2.gz ULGKWEQVYRZQCI-NRCMDQDQSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000528477007 388532383 /nfs/dbraw/zinc/53/23/83/388532383.db2.gz ULGKWEQVYRZQCI-NRCMDQDQSA-N 1 2 219.712 1.211 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351838238 388534627 /nfs/dbraw/zinc/53/46/27/388534627.db2.gz YINAUPGPPFJLQJ-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000351838238 388534629 /nfs/dbraw/zinc/53/46/29/388534629.db2.gz YINAUPGPPFJLQJ-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000528495210 388535275 /nfs/dbraw/zinc/53/52/75/388535275.db2.gz SOJAYORCTXQMLM-HKTIAHBFSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCOC[C@@]12CCOC2 ZINC000528495210 388535276 /nfs/dbraw/zinc/53/52/76/388535276.db2.gz SOJAYORCTXQMLM-HKTIAHBFSA-N 1 2 231.723 1.620 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H](C)CC(F)F)c[nH+]1 ZINC000648961794 388588014 /nfs/dbraw/zinc/58/80/14/388588014.db2.gz KKZQZVBMTSVGGI-LURJTMIESA-N 1 2 231.246 1.739 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1O ZINC000530006078 388604088 /nfs/dbraw/zinc/60/40/88/388604088.db2.gz NRJZRKZIPUVHQQ-JTQLQIEISA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1O ZINC000530006078 388604089 /nfs/dbraw/zinc/60/40/89/388604089.db2.gz NRJZRKZIPUVHQQ-JTQLQIEISA-N 1 2 238.262 1.564 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000521485539 388610082 /nfs/dbraw/zinc/61/00/82/388610082.db2.gz ZKGKQNSDPWMKKL-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000188943769 388614988 /nfs/dbraw/zinc/61/49/88/388614988.db2.gz UUEIPYJXRPHEPD-AWEZNQCLSA-N 1 2 245.326 1.411 20 0 BDADLO CC1(C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548656706 388551648 /nfs/dbraw/zinc/55/16/48/388551648.db2.gz WAABOIRNDYVWKT-SNVBAGLBSA-N 1 2 248.330 1.392 20 0 BDADLO Cc1noc(C23CC(C2)C[N@@H+]3[C@@H]2CCOC2)n1 ZINC000528616150 388552812 /nfs/dbraw/zinc/55/28/12/388552812.db2.gz KFIJXOBPMVOHQV-SQLBVSGCSA-N 1 2 235.287 1.088 20 0 BDADLO Cc1noc(C23CC(C2)C[N@H+]3[C@@H]2CCOC2)n1 ZINC000528616150 388552814 /nfs/dbraw/zinc/55/28/14/388552814.db2.gz KFIJXOBPMVOHQV-SQLBVSGCSA-N 1 2 235.287 1.088 20 0 BDADLO COc1cc(C)ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000548692653 388553064 /nfs/dbraw/zinc/55/30/64/388553064.db2.gz QFWFAOACAKAHJI-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO CC(C)(C(=O)Nc1cccnc1)c1c[nH+]c[nH]1 ZINC000548735912 388555601 /nfs/dbraw/zinc/55/56/01/388555601.db2.gz WZJMIUAUEGYVRW-UHFFFAOYSA-N 1 2 230.271 1.721 20 0 BDADLO CC(C)(C(=O)Nc1cccnc1)c1c[nH]c[nH+]1 ZINC000548735912 388555604 /nfs/dbraw/zinc/55/56/04/388555604.db2.gz WZJMIUAUEGYVRW-UHFFFAOYSA-N 1 2 230.271 1.721 20 0 BDADLO CSCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000359509816 388556993 /nfs/dbraw/zinc/55/69/93/388556993.db2.gz IIPZUYMGGWMJBX-UHFFFAOYSA-N 1 2 227.333 1.478 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)NCC(F)(F)F ZINC000548754912 388557160 /nfs/dbraw/zinc/55/71/60/388557160.db2.gz XWGFKCCJRDZQQW-BQBZGAKWSA-N 1 2 224.226 1.148 20 0 BDADLO CCOC[C@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000528723635 388561624 /nfs/dbraw/zinc/56/16/24/388561624.db2.gz JWEFZALXLRUNCB-HMDXOVGESA-N 1 2 219.712 1.476 20 0 BDADLO CCOC[C@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000528723635 388561626 /nfs/dbraw/zinc/56/16/26/388561626.db2.gz JWEFZALXLRUNCB-HMDXOVGESA-N 1 2 219.712 1.476 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000528724515 388562601 /nfs/dbraw/zinc/56/26/01/388562601.db2.gz XYHQCFDEXFNSFA-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000528724515 388562603 /nfs/dbraw/zinc/56/26/03/388562603.db2.gz XYHQCFDEXFNSFA-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1CCC(O)CC1 ZINC000194277752 388571104 /nfs/dbraw/zinc/57/11/04/388571104.db2.gz YDKHGIRRLBIASI-UHFFFAOYSA-N 1 2 234.299 1.880 20 0 BDADLO Cc1cccc(N(C)C(=O)CCn2cc[nH+]c2)n1 ZINC000517623222 256829447 /nfs/dbraw/zinc/82/94/47/256829447.db2.gz PGGXPMJDDZZNKV-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1cc(N2CC[C@H](OC(F)F)C2)nc[nH+]1 ZINC000549258349 388575737 /nfs/dbraw/zinc/57/57/37/388575737.db2.gz AMPMKDFORNRYCQ-QMMMGPOBSA-N 1 2 229.230 1.603 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)Cc1cnccn1 ZINC000184604642 388579958 /nfs/dbraw/zinc/57/99/58/388579958.db2.gz WKAAHDDRCSAEMK-SNVBAGLBSA-N 1 2 229.287 1.460 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)Cc1cnccn1 ZINC000184604642 388579959 /nfs/dbraw/zinc/57/99/59/388579959.db2.gz WKAAHDDRCSAEMK-SNVBAGLBSA-N 1 2 229.287 1.460 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC000521093237 256835499 /nfs/dbraw/zinc/83/54/99/256835499.db2.gz IVMFMMAPQDRZOA-LLVKDONJSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@H]1[C@@H](C(=O)Nc2cc[nH+]cc2O)[C@@H]1C1CC1 ZINC000528914097 388582942 /nfs/dbraw/zinc/58/29/42/388582942.db2.gz GLAACVJKPDSOCB-CQFDHEJISA-N 1 2 232.283 1.440 20 0 BDADLO CCOCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000081561645 388583461 /nfs/dbraw/zinc/58/34/61/388583461.db2.gz QCIAMGBVAXRCNE-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000081561645 388583463 /nfs/dbraw/zinc/58/34/63/388583463.db2.gz QCIAMGBVAXRCNE-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CC[C@H](C)F ZINC000552082675 388667232 /nfs/dbraw/zinc/66/72/32/388667232.db2.gz BDCRDRCMKCEOMY-UWVGGRQHSA-N 1 2 249.351 1.715 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CC[C@H](C)F ZINC000552082675 388667236 /nfs/dbraw/zinc/66/72/36/388667236.db2.gz BDCRDRCMKCEOMY-UWVGGRQHSA-N 1 2 249.351 1.715 20 0 BDADLO c1c[nH+]c(CNc2ccc3[nH]nnc3c2)[nH]1 ZINC000125146600 388669339 /nfs/dbraw/zinc/66/93/39/388669339.db2.gz BZQQLIHRRDFOKK-UHFFFAOYSA-N 1 2 214.232 1.293 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000248428790 388679905 /nfs/dbraw/zinc/67/99/05/388679905.db2.gz AWOVGLCITQFSSX-NXEZZACHSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000248428790 388679906 /nfs/dbraw/zinc/67/99/06/388679906.db2.gz AWOVGLCITQFSSX-NXEZZACHSA-N 1 2 225.292 1.113 20 0 BDADLO COCCOCC[N@@H+]1Cc2cccnc2C1 ZINC000551041624 388619789 /nfs/dbraw/zinc/61/97/89/388619789.db2.gz COVOKJIGMYXPAF-UHFFFAOYSA-N 1 2 222.288 1.060 20 0 BDADLO COCCOCC[N@H+]1Cc2cccnc2C1 ZINC000551041624 388619790 /nfs/dbraw/zinc/61/97/90/388619790.db2.gz COVOKJIGMYXPAF-UHFFFAOYSA-N 1 2 222.288 1.060 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000551042178 388620462 /nfs/dbraw/zinc/62/04/62/388620462.db2.gz KETIQNFBZVXGPT-UHFFFAOYSA-N 1 2 234.299 1.739 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000551042178 388620465 /nfs/dbraw/zinc/62/04/65/388620465.db2.gz KETIQNFBZVXGPT-UHFFFAOYSA-N 1 2 234.299 1.739 20 0 BDADLO Cc1cc(N2CC[C@H](O)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000189236464 388627783 /nfs/dbraw/zinc/62/77/83/388627783.db2.gz ZBMDGWUZILSVSS-SKDRFNHKSA-N 1 2 247.342 1.870 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN1Cc2ccccc2C1 ZINC000189929406 388645301 /nfs/dbraw/zinc/64/53/01/388645301.db2.gz GQDNEHHREFWNJF-ZDUSSCGKSA-N 1 2 246.354 1.723 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN1Cc2ccccc2C1 ZINC000189929406 388645305 /nfs/dbraw/zinc/64/53/05/388645305.db2.gz GQDNEHHREFWNJF-ZDUSSCGKSA-N 1 2 246.354 1.723 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ncccc2O)C1 ZINC000552866604 388739808 /nfs/dbraw/zinc/73/98/08/388739808.db2.gz ITWHLAPFVNZFLF-SECBINFHSA-N 1 2 235.287 1.068 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ncccc2O)C1 ZINC000552866604 388739812 /nfs/dbraw/zinc/73/98/12/388739812.db2.gz ITWHLAPFVNZFLF-SECBINFHSA-N 1 2 235.287 1.068 20 0 BDADLO CC(C)(C)OCCNC(=O)CCn1cc[nH+]c1 ZINC000522272685 388743620 /nfs/dbraw/zinc/74/36/20/388743620.db2.gz KDNJIGOTWDPFOW-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccc(C)n1C ZINC000194836393 388743919 /nfs/dbraw/zinc/74/39/19/388743919.db2.gz PEAIPRVLIPVKQP-UHFFFAOYSA-N 1 2 245.282 1.989 20 0 BDADLO CC(C)(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194912544 388746633 /nfs/dbraw/zinc/74/66/33/388746633.db2.gz SXKUMBHZUIDKQS-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194912544 388746636 /nfs/dbraw/zinc/74/66/36/388746636.db2.gz SXKUMBHZUIDKQS-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC12CCC2 ZINC000552414845 388705322 /nfs/dbraw/zinc/70/53/22/388705322.db2.gz ZKOACHCPFVGUNR-LBPRGKRZSA-N 1 2 247.342 1.922 20 0 BDADLO C[C@@H](NC(=O)Cc1ccoc1)c1[nH]cc[nH+]1 ZINC000552558039 388725019 /nfs/dbraw/zinc/72/50/19/388725019.db2.gz XNTZUACEXMFVDC-MRVPVSSYSA-N 1 2 219.244 1.423 20 0 BDADLO COc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000127736108 388730683 /nfs/dbraw/zinc/73/06/83/388730683.db2.gz QOANAJRFADPCCT-UHFFFAOYSA-N 1 2 247.258 1.135 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)C2CCCC2)CCO1 ZINC000523051912 388794034 /nfs/dbraw/zinc/79/40/34/388794034.db2.gz RAMTWNNBISWDLE-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)C2CCCC2)CCO1 ZINC000523051912 388794039 /nfs/dbraw/zinc/79/40/39/388794039.db2.gz RAMTWNNBISWDLE-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC1 ZINC000194508257 388806857 /nfs/dbraw/zinc/80/68/57/388806857.db2.gz PTVCPKCIAQNTIV-UHFFFAOYSA-N 1 2 227.267 1.718 20 0 BDADLO CO[C@H]1C[N@H+](Cc2noc(C)n2)CC[C@H]1C ZINC000251993097 388758738 /nfs/dbraw/zinc/75/87/38/388758738.db2.gz WCFTUSJXDCSILG-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2noc(C)n2)CC[C@H]1C ZINC000251993097 388758742 /nfs/dbraw/zinc/75/87/42/388758742.db2.gz WCFTUSJXDCSILG-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO COc1ccc[nH+]c1NCc1cnc(C)nc1 ZINC000539565171 388765388 /nfs/dbraw/zinc/76/53/88/388765388.db2.gz KTHCWHYZJXMESU-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO COc1ccc[nH+]c1NCCC[C@H](C)O ZINC000227679460 388775265 /nfs/dbraw/zinc/77/52/65/388775265.db2.gz XTRKHSPBYMVRKH-VIFPVBQESA-N 1 2 210.277 1.663 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncs2)[C@@H](C(N)=O)C1 ZINC000250101754 388782598 /nfs/dbraw/zinc/78/25/98/388782598.db2.gz RNTCBDTYBBPKFC-PSASIEDQSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncs2)[C@@H](C(N)=O)C1 ZINC000250101754 388782600 /nfs/dbraw/zinc/78/26/00/388782600.db2.gz RNTCBDTYBBPKFC-PSASIEDQSA-N 1 2 239.344 1.229 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)Cc1cccs1 ZINC000541544506 388855037 /nfs/dbraw/zinc/85/50/37/388855037.db2.gz XZRKUVARNFJIHB-UHFFFAOYSA-N 1 2 249.339 1.383 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC(F)(F)F ZINC000541551579 388857103 /nfs/dbraw/zinc/85/71/03/388857103.db2.gz DYLBGDHWPMXVDT-UHFFFAOYSA-N 1 2 235.209 1.031 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000555646090 388858232 /nfs/dbraw/zinc/85/82/32/388858232.db2.gz LHJLDTGOBIVHOT-GRYCIOLGSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000555646090 388858235 /nfs/dbraw/zinc/85/82/35/388858235.db2.gz LHJLDTGOBIVHOT-GRYCIOLGSA-N 1 2 242.363 1.400 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000556088365 388866762 /nfs/dbraw/zinc/86/67/62/388866762.db2.gz IPAMTKQWULISCU-CYBMUJFWSA-N 1 2 245.326 1.407 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000556088365 388866763 /nfs/dbraw/zinc/86/67/63/388866763.db2.gz IPAMTKQWULISCU-CYBMUJFWSA-N 1 2 245.326 1.407 20 0 BDADLO Cc1csc([C@@H](C)[NH2+]Cc2cnnn2C)n1 ZINC000129742523 388870076 /nfs/dbraw/zinc/87/00/76/388870076.db2.gz VURSQFUBQYGNGY-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO CC1(C)C(NC(=O)Cn2cc[nH+]c2)C1(C)C ZINC000564645229 388882084 /nfs/dbraw/zinc/88/20/84/388882084.db2.gz KMEWWNWLTHBUCO-UHFFFAOYSA-N 1 2 221.304 1.434 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649166418 388886125 /nfs/dbraw/zinc/88/61/25/388886125.db2.gz CVBMMRXXCPDBFU-GMTAPVOTSA-N 1 2 233.315 1.267 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000564757890 388887500 /nfs/dbraw/zinc/88/75/00/388887500.db2.gz YDPFBRYYPRHVMS-GMTAPVOTSA-N 1 2 233.315 1.455 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCS[C@H]2C)c[nH+]1 ZINC000649174504 388891645 /nfs/dbraw/zinc/89/16/45/388891645.db2.gz IEECUDVBBPMMNS-POYBYMJQSA-N 1 2 225.317 1.342 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H](O)C1 ZINC000564502880 388875614 /nfs/dbraw/zinc/87/56/14/388875614.db2.gz DKONSXKXVOHGPP-JTQLQIEISA-N 1 2 249.314 1.242 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000070191160 388877892 /nfs/dbraw/zinc/87/78/92/388877892.db2.gz KYIVBFQYQWJUNC-NSHDSACASA-N 1 2 244.360 1.361 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000070191160 388877895 /nfs/dbraw/zinc/87/78/95/388877895.db2.gz KYIVBFQYQWJUNC-NSHDSACASA-N 1 2 244.360 1.361 20 0 BDADLO CC[C@H]([NH3+])C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000564570409 388879266 /nfs/dbraw/zinc/87/92/66/388879266.db2.gz GJXVDAORXGHQKX-YFKPBYRVSA-N 1 2 232.234 1.332 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C)(F)C1 ZINC000565197752 388924724 /nfs/dbraw/zinc/92/47/24/388924724.db2.gz AZCJCEMFTLKTNC-JNHNWMDNSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C)(F)C1 ZINC000565197752 388924722 /nfs/dbraw/zinc/92/47/22/388924722.db2.gz AZCJCEMFTLKTNC-JNHNWMDNSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC=C(F)C1 ZINC000565193441 388924732 /nfs/dbraw/zinc/92/47/32/388924732.db2.gz CFEOBLKZYWLTTR-VIFPVBQESA-N 1 2 237.278 1.674 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC=C(F)C1 ZINC000565193441 388924734 /nfs/dbraw/zinc/92/47/34/388924734.db2.gz CFEOBLKZYWLTTR-VIFPVBQESA-N 1 2 237.278 1.674 20 0 BDADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)no1 ZINC000565673940 388961900 /nfs/dbraw/zinc/96/19/00/388961900.db2.gz IOXRPCXDAKJXSJ-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCOC(C)C)n1 ZINC000565456158 388946101 /nfs/dbraw/zinc/94/61/01/388946101.db2.gz KNFXBNPZQAWXNJ-SECBINFHSA-N 1 2 227.308 1.796 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCOC(C)C)n1 ZINC000565456158 388946104 /nfs/dbraw/zinc/94/61/04/388946104.db2.gz KNFXBNPZQAWXNJ-SECBINFHSA-N 1 2 227.308 1.796 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565953775 388980310 /nfs/dbraw/zinc/98/03/10/388980310.db2.gz KJJWKYCUAKZKRT-SNVBAGLBSA-N 1 2 209.293 1.703 20 0 BDADLO Cc1ccoc1C(=O)NCc1[nH]c[nH+]c1C ZINC000266973757 388997798 /nfs/dbraw/zinc/99/77/98/388997798.db2.gz MXDQALWZRZBSQV-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccs1 ZINC000266993074 388998198 /nfs/dbraw/zinc/99/81/98/388998198.db2.gz VZLYQHHUBSPRAH-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)C(C)C ZINC000267201580 388999827 /nfs/dbraw/zinc/99/98/27/388999827.db2.gz LMVWQDISESFQLB-MRVPVSSYSA-N 1 2 209.293 1.626 20 0 BDADLO FC(F)c1nnc(NCCn2cc[nH+]c2)s1 ZINC000273445632 389041077 /nfs/dbraw/zinc/04/10/77/389041077.db2.gz DXIKUADGUHYGIM-UHFFFAOYSA-N 1 2 245.258 1.784 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000507310649 533478749 /nfs/dbraw/zinc/47/87/49/533478749.db2.gz VQHFREXZHOLKGK-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000507310649 533478752 /nfs/dbraw/zinc/47/87/52/533478752.db2.gz VQHFREXZHOLKGK-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)C[C@@H]1OC ZINC000487963027 533481707 /nfs/dbraw/zinc/48/17/07/533481707.db2.gz ZPLKIQJVRLVSAQ-MXWKQRLJSA-N 1 2 240.303 1.390 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)C[C@@H]1OC ZINC000487963027 533481713 /nfs/dbraw/zinc/48/17/13/533481713.db2.gz ZPLKIQJVRLVSAQ-MXWKQRLJSA-N 1 2 240.303 1.390 20 0 BDADLO C[C@@H]1CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000264328652 132178961 /nfs/dbraw/zinc/17/89/61/132178961.db2.gz MDNLHAGERZGXKJ-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO C[C@@H]1CCCN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000264328652 132178965 /nfs/dbraw/zinc/17/89/65/132178965.db2.gz MDNLHAGERZGXKJ-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO Cc1nc(N2CCC[C@H](C3OCCO3)C2)cc[nH+]1 ZINC000266369328 132185864 /nfs/dbraw/zinc/18/58/64/132185864.db2.gz LNJFQTVPDVXNIC-NSHDSACASA-N 1 2 249.314 1.374 20 0 BDADLO Cc1nc(N2CCO[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000268053665 132190948 /nfs/dbraw/zinc/19/09/48/132190948.db2.gz UXKICDNWTRDLNZ-GHMZBOCLSA-N 1 2 219.288 1.543 20 0 BDADLO C[C@H]1COCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000270215155 132196168 /nfs/dbraw/zinc/19/61/68/132196168.db2.gz AVSVGJLEQBMQQN-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1COCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000270215155 132196171 /nfs/dbraw/zinc/19/61/71/132196171.db2.gz AVSVGJLEQBMQQN-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1OCC[C@@]12CN(c1cccc[nH+]1)C[C@@H](C)O2 ZINC000279413357 132209070 /nfs/dbraw/zinc/20/90/70/132209070.db2.gz JRHVQDQJCFDDKN-MBNYWOFBSA-N 1 2 248.326 1.854 20 0 BDADLO Clc1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC000290669533 132217394 /nfs/dbraw/zinc/21/73/94/132217394.db2.gz KJHVLNLROVSUKE-UHFFFAOYSA-N 1 2 234.690 1.952 20 0 BDADLO Cc1cc(N2CCC[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000040417988 132223439 /nfs/dbraw/zinc/22/34/39/132223439.db2.gz BXBUECDMAWPOLI-NSHDSACASA-N 1 2 235.331 1.870 20 0 BDADLO C[C@@H](O)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000120144279 132223465 /nfs/dbraw/zinc/22/34/65/132223465.db2.gz LXQJTJGHYZMVPY-PWSUYJOCSA-N 1 2 247.342 1.951 20 0 BDADLO CCOC(=O)[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000050069872 132228380 /nfs/dbraw/zinc/22/83/80/132228380.db2.gz YMXWHBHLCSBRGY-NSHDSACASA-N 1 2 249.314 1.565 20 0 BDADLO C[C@H]1CCN(c2cnccn2)C[C@H]1n1cc[nH+]c1 ZINC000301662289 132255653 /nfs/dbraw/zinc/25/56/53/132255653.db2.gz YDNXHJSZCKYQEF-NWDGAFQWSA-N 1 2 243.314 1.761 20 0 BDADLO Cc1cc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301649245 132255695 /nfs/dbraw/zinc/25/56/95/132255695.db2.gz RCZKZFXLCWDIAC-MNOVXSKESA-N 1 2 246.314 1.032 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301752340 132257216 /nfs/dbraw/zinc/25/72/16/132257216.db2.gz BKSNLIFULGMLSA-WDEREUQCSA-N 1 2 206.289 1.679 20 0 BDADLO CC(C)c1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000357582412 132274156 /nfs/dbraw/zinc/27/41/56/132274156.db2.gz PEOSHLPSFOWRDN-UHFFFAOYSA-N 1 2 243.314 1.817 20 0 BDADLO Clc1cnc(N2CCn3c[nH+]cc3C2)nc1 ZINC000357551124 132274164 /nfs/dbraw/zinc/27/41/64/132274164.db2.gz SGMZTOIYHSGNCV-UHFFFAOYSA-N 1 2 235.678 1.347 20 0 BDADLO Cc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)nc[nH+]1 ZINC000357748845 132274950 /nfs/dbraw/zinc/27/49/50/132274950.db2.gz LFOMIAYGMTXMDM-NXEZZACHSA-N 1 2 239.344 1.131 20 0 BDADLO Cc1nc(N2C[C@H](C)S(=O)[C@@H](C)C2)cc[nH+]1 ZINC000357748341 132275023 /nfs/dbraw/zinc/27/50/23/132275023.db2.gz KNTISZHBDTZIJH-IUCAKERBSA-N 1 2 239.344 1.131 20 0 BDADLO Cc1cc(N2C[C@H](C)O[C@@H](C3CC3)C2)nc[nH+]1 ZINC000359736213 132277575 /nfs/dbraw/zinc/27/75/75/132277575.db2.gz NXRDCBZJQIADPG-CMPLNLGQSA-N 1 2 233.315 1.789 20 0 BDADLO COC(=O)CC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000360975231 132279458 /nfs/dbraw/zinc/27/94/58/132279458.db2.gz SSIGUZBGVYFFEW-UHFFFAOYSA-N 1 2 249.314 1.565 20 0 BDADLO CC1=C[C@@H](C)CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000362378945 132281469 /nfs/dbraw/zinc/28/14/69/132281469.db2.gz OLSWKQADYUUPTP-SECBINFHSA-N 1 2 247.346 1.648 20 0 BDADLO CC1=C[C@@H](C)CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000362378945 132281472 /nfs/dbraw/zinc/28/14/72/132281472.db2.gz OLSWKQADYUUPTP-SECBINFHSA-N 1 2 247.346 1.648 20 0 BDADLO CC[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000375666701 132288338 /nfs/dbraw/zinc/28/83/38/132288338.db2.gz SDAVMOIXPFLBBZ-UHFFFAOYSA-N 1 2 218.300 1.664 20 0 BDADLO CC[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000375666701 132288336 /nfs/dbraw/zinc/28/83/36/132288336.db2.gz SDAVMOIXPFLBBZ-UHFFFAOYSA-N 1 2 218.300 1.664 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1cccc(F)n1)CC2 ZINC000359991725 132300313 /nfs/dbraw/zinc/30/03/13/132300313.db2.gz FGZSUABNHZBBJK-UHFFFAOYSA-N 1 2 232.262 1.746 20 0 BDADLO CCOC(=O)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054937340 132365169 /nfs/dbraw/zinc/36/51/69/132365169.db2.gz YMWJUULDNUICCU-NSHDSACASA-N 1 2 249.314 1.565 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C(F)F)CC2)c[nH+]1 ZINC000334355340 133624489 /nfs/dbraw/zinc/62/44/89/133624489.db2.gz KRKHJTSEKMTDMN-UHFFFAOYSA-N 1 2 215.203 1.246 20 0 BDADLO COC1C[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000334738921 133745276 /nfs/dbraw/zinc/74/52/76/133745276.db2.gz CSAKRPZAKQRLGT-UHFFFAOYSA-N 1 2 221.300 1.840 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000335104049 133774356 /nfs/dbraw/zinc/77/43/56/133774356.db2.gz NGTRFSKTOIMMQH-ZJUUUORDSA-N 1 2 239.294 1.863 20 0 BDADLO C[C@H]([NH2+]CCF)c1cn(-c2ccccc2)nn1 ZINC000348533993 133887247 /nfs/dbraw/zinc/88/72/47/133887247.db2.gz NDMYBXVXRWFNRP-JTQLQIEISA-N 1 2 234.278 1.887 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2ccc(C)o2)n1 ZINC000349914019 133925690 /nfs/dbraw/zinc/92/56/90/133925690.db2.gz SOKGADCOGDTEDN-WAYWQWQTSA-N 1 2 219.244 1.861 20 0 BDADLO Cc1ccc(NC(=O)Cc2ccn(C)n2)c(C)[nH+]1 ZINC000335836949 133933201 /nfs/dbraw/zinc/93/32/01/133933201.db2.gz VAADVITXVKHLQL-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO OC1(Cn2cc[nH+]c2-c2cccnc2)CCC1 ZINC000335929842 134010447 /nfs/dbraw/zinc/01/04/47/134010447.db2.gz QDMLXSQWUUSJGY-UHFFFAOYSA-N 1 2 229.283 1.860 20 0 BDADLO C[C@@H]1CC[N@@H+]([C@H]2CCOC2)CC1(F)F ZINC000335937762 134012973 /nfs/dbraw/zinc/01/29/73/134012973.db2.gz NQURYJRQKRURCP-BDAKNGLRSA-N 1 2 205.248 1.752 20 0 BDADLO C[C@@H]1CC[N@H+]([C@H]2CCOC2)CC1(F)F ZINC000335937762 134012974 /nfs/dbraw/zinc/01/29/74/134012974.db2.gz NQURYJRQKRURCP-BDAKNGLRSA-N 1 2 205.248 1.752 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000335938682 134013680 /nfs/dbraw/zinc/01/36/80/134013680.db2.gz LWBFFGZQKOVJPQ-PHIMTYICSA-N 1 2 247.298 1.207 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@](C)(F)C2)cc[nH+]1 ZINC000335940777 134017063 /nfs/dbraw/zinc/01/70/63/134017063.db2.gz PWCVQNGKQXETNY-LBPRGKRZSA-N 1 2 237.278 1.778 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000335952639 134022217 /nfs/dbraw/zinc/02/22/17/134022217.db2.gz GKBSFLGPQKEVSD-RKDXNWHRSA-N 1 2 207.277 1.462 20 0 BDADLO CC(=O)CCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000351973837 134025063 /nfs/dbraw/zinc/02/50/63/134025063.db2.gz GFLHZEQAIZOMEE-NSHDSACASA-N 1 2 249.314 1.073 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1cccc(O)c1 ZINC000336025507 134056853 /nfs/dbraw/zinc/05/68/53/134056853.db2.gz MMFZETBLUDWOPO-UHFFFAOYSA-N 1 2 217.272 1.762 20 0 BDADLO C[C@H]1[N@H+](C[C@@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026944 134057307 /nfs/dbraw/zinc/05/73/07/134057307.db2.gz GRMSEQRGCAHKAR-HTQZYQBOSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1[N@@H+](C[C@@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026944 134057308 /nfs/dbraw/zinc/05/73/08/134057308.db2.gz GRMSEQRGCAHKAR-HTQZYQBOSA-N 1 2 241.253 1.409 20 0 BDADLO CN(C)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336027590 134057658 /nfs/dbraw/zinc/05/76/58/134057658.db2.gz OJERYSMACSIYCJ-UHFFFAOYSA-N 1 2 244.298 1.848 20 0 BDADLO CCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000336038700 134060475 /nfs/dbraw/zinc/06/04/75/134060475.db2.gz CZWZKQLMXFBBMQ-JTQLQIEISA-N 1 2 236.319 1.388 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336051664 134065007 /nfs/dbraw/zinc/06/50/07/134065007.db2.gz PIARWAKRSUGEQC-SNVBAGLBSA-N 1 2 233.315 1.698 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H](C)[S@@]1=O ZINC000336089745 134077761 /nfs/dbraw/zinc/07/77/61/134077761.db2.gz SLVKAHGWIHENJG-CULMDFNYSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H](C)[S@@]1=O ZINC000336089745 134077762 /nfs/dbraw/zinc/07/77/62/134077762.db2.gz SLVKAHGWIHENJG-CULMDFNYSA-N 1 2 238.356 1.423 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC(C)C)C2 ZINC000336089604 134078090 /nfs/dbraw/zinc/07/80/90/134078090.db2.gz BNICYHQHGFBOMV-UHFFFAOYSA-N 1 2 232.327 1.835 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC(C)C)C2 ZINC000336089604 134078091 /nfs/dbraw/zinc/07/80/91/134078091.db2.gz BNICYHQHGFBOMV-UHFFFAOYSA-N 1 2 232.327 1.835 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000336096410 134080384 /nfs/dbraw/zinc/08/03/84/134080384.db2.gz ZEZVSMAPPHDHAW-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000336096410 134080385 /nfs/dbraw/zinc/08/03/85/134080385.db2.gz ZEZVSMAPPHDHAW-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@H](C)[C@H](O)C2)c(C)[nH+]1 ZINC000352181771 134093901 /nfs/dbraw/zinc/09/39/01/134093901.db2.gz IDHKHUHTMCAVMD-QPUJVOFHSA-N 1 2 249.314 1.543 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000336144797 134101689 /nfs/dbraw/zinc/10/16/89/134101689.db2.gz GDYMREBXQNSDFC-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO CCN(C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336145767 134102278 /nfs/dbraw/zinc/10/22/78/134102278.db2.gz LIZQMMMSGKQUNS-LBPRGKRZSA-N 1 2 249.314 1.606 20 0 BDADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@@H]2CCC[C@H]2O1 ZINC000336171545 134115137 /nfs/dbraw/zinc/11/51/37/134115137.db2.gz NLKBRVVWLLIXFJ-VXGBXAGGSA-N 1 2 235.331 1.942 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@@H]2CCC[C@H]2O1 ZINC000336171545 134115138 /nfs/dbraw/zinc/11/51/38/134115138.db2.gz NLKBRVVWLLIXFJ-VXGBXAGGSA-N 1 2 235.331 1.942 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336180074 134118829 /nfs/dbraw/zinc/11/88/29/134118829.db2.gz RTKVXEPFSSDTCI-PHIMTYICSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336180074 134118830 /nfs/dbraw/zinc/11/88/30/134118830.db2.gz RTKVXEPFSSDTCI-PHIMTYICSA-N 1 2 208.261 1.346 20 0 BDADLO F[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000336189259 134122790 /nfs/dbraw/zinc/12/27/90/134122790.db2.gz JZLNBJQINHXXJA-VIFPVBQESA-N 1 2 207.252 1.902 20 0 BDADLO C[C@H]1CO[C@@H](CO)CN1c1[nH]c2ccccc2[nH+]1 ZINC000168539863 134226300 /nfs/dbraw/zinc/22/63/00/134226300.db2.gz JPQYEJZLHOJWMP-VHSXEESVSA-N 1 2 247.298 1.149 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)on1 ZINC000219133505 134274743 /nfs/dbraw/zinc/27/47/43/134274743.db2.gz YXQKCUFRHZICJI-JTQLQIEISA-N 1 2 232.287 1.932 20 0 BDADLO Cc1ccc(NC(=O)c2cc[nH]n2)c(C)[nH+]1 ZINC000176199721 134289328 /nfs/dbraw/zinc/28/93/28/134289328.db2.gz SVRWNQKZQJCPLE-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC000176710803 134292526 /nfs/dbraw/zinc/29/25/26/134292526.db2.gz UGAUIPMFVMFZKJ-JTQLQIEISA-N 1 2 249.314 1.951 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccon1 ZINC000178361181 134309406 /nfs/dbraw/zinc/30/94/06/134309406.db2.gz DWDVIIDAZJQJLZ-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000178731027 134310817 /nfs/dbraw/zinc/31/08/17/134310817.db2.gz CJRRPNNXWLJBLO-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178813337 134315625 /nfs/dbraw/zinc/31/56/25/134315625.db2.gz WGKVLGJEQVCEHN-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000179591824 134321631 /nfs/dbraw/zinc/32/16/31/134321631.db2.gz PUIWFVFIKTXYKP-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000179591824 134321632 /nfs/dbraw/zinc/32/16/32/134321632.db2.gz PUIWFVFIKTXYKP-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CCOC1CC([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000221276181 134322469 /nfs/dbraw/zinc/32/24/69/134322469.db2.gz MSCRAGCDHRNJPN-WHXUTIOJSA-N 1 2 243.347 1.874 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC(C)(C)C2)no1 ZINC000182482052 134345548 /nfs/dbraw/zinc/34/55/48/134345548.db2.gz SKPDCGTXVOVEDV-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@H+]2CCCC(C)(C)C2)no1 ZINC000182482052 134345549 /nfs/dbraw/zinc/34/55/49/134345549.db2.gz SKPDCGTXVOVEDV-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO O=C(C[NH2+]Cc1ncc(Cl)s1)NC1CC1 ZINC000225308911 134354274 /nfs/dbraw/zinc/35/42/74/134354274.db2.gz ZTSBHPJMGXEQJC-UHFFFAOYSA-N 1 2 245.735 1.165 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000226494721 134363915 /nfs/dbraw/zinc/36/39/15/134363915.db2.gz HLJOXJUXQHCTMB-MWLCHTKSSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000226494721 134363916 /nfs/dbraw/zinc/36/39/16/134363916.db2.gz HLJOXJUXQHCTMB-MWLCHTKSSA-N 1 2 241.331 1.437 20 0 BDADLO CCCc1nc(C[N@H+](C)CCCCCO)no1 ZINC000227113879 134373004 /nfs/dbraw/zinc/37/30/04/134373004.db2.gz CMEQPMGDWSYDOJ-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCc1nc(C[N@@H+](C)CCCCCO)no1 ZINC000227113879 134373005 /nfs/dbraw/zinc/37/30/05/134373005.db2.gz CMEQPMGDWSYDOJ-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCO[C@@H](C)C1 ZINC000227035250 134373501 /nfs/dbraw/zinc/37/35/01/134373501.db2.gz JWCDGSNMSJDCPD-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CCO[C@@H](C)C1 ZINC000227035250 134373502 /nfs/dbraw/zinc/37/35/02/134373502.db2.gz JWCDGSNMSJDCPD-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CSC)C1CC1 ZINC000227770290 134393611 /nfs/dbraw/zinc/39/36/11/134393611.db2.gz MGPGKFDUJMDWEU-IONNQARKSA-N 1 2 217.334 1.279 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000227771263 134394224 /nfs/dbraw/zinc/39/42/24/134394224.db2.gz BMYYLWHVJIGAHL-ZJUUUORDSA-N 1 2 229.345 1.423 20 0 BDADLO Cc1nc(N2CCC[C@H]2c2ncc[nH]2)cc[nH+]1 ZINC000408171743 134432140 /nfs/dbraw/zinc/43/21/40/134432140.db2.gz NGWUGTJHVMACJT-JTQLQIEISA-N 1 2 229.287 1.850 20 0 BDADLO CCN(C)c1ccc(CNc2cnccn2)c[nH+]1 ZINC000192151708 134582358 /nfs/dbraw/zinc/58/23/58/134582358.db2.gz MFHMKBDUTUMWMV-UHFFFAOYSA-N 1 2 243.314 1.940 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)cn1 ZINC000134138037 134703197 /nfs/dbraw/zinc/70/31/97/134703197.db2.gz IFUHOEJKKZEIQJ-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CC[C@@H](NC(=O)CC[C@@H](C)OC)c1[nH]cc[nH+]1 ZINC000140646714 134792573 /nfs/dbraw/zinc/79/25/73/134792573.db2.gz OVOQZHVWKHKDOG-NXEZZACHSA-N 1 2 239.319 1.792 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061919333 134805292 /nfs/dbraw/zinc/80/52/92/134805292.db2.gz FPQWTVWWYHHJMS-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061919333 134805295 /nfs/dbraw/zinc/80/52/95/134805295.db2.gz FPQWTVWWYHHJMS-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000070651441 135002446 /nfs/dbraw/zinc/00/24/46/135002446.db2.gz HSZJWCRZGOGAGT-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO Cc1cc(C[NH2+]Cc2cncc(F)c2)on1 ZINC000230940254 135022047 /nfs/dbraw/zinc/02/20/47/135022047.db2.gz LCHGKKLWIZRNDW-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)OC ZINC000248970708 135028528 /nfs/dbraw/zinc/02/85/28/135028528.db2.gz CNWCHMOVCREJPY-MDZLAQPJSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C(=O)OC)[C@H](C)O)C1 ZINC000249106425 135033570 /nfs/dbraw/zinc/03/35/70/135033570.db2.gz QMGALRKAEOEBKR-WHOHXGKFSA-N 1 2 243.347 1.467 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000250462982 135054739 /nfs/dbraw/zinc/05/47/39/135054739.db2.gz BCPAWIVPCZXPLK-MVWJERBFSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1nc(NC[C@]2(C)CCCO2)cc[nH+]1 ZINC000087256209 135115927 /nfs/dbraw/zinc/11/59/27/135115927.db2.gz SOKHZBLBGNDFQK-NSHDSACASA-N 1 2 207.277 1.766 20 0 BDADLO CC[C@@H](CCO)CNc1cc(C)[nH+]cn1 ZINC000087371082 135126466 /nfs/dbraw/zinc/12/64/66/135126466.db2.gz FCXISLHFUCZWEF-JTQLQIEISA-N 1 2 209.293 1.606 20 0 BDADLO CN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000257694488 135140169 /nfs/dbraw/zinc/14/01/69/135140169.db2.gz OJIAHDORCXKNKW-VIFPVBQESA-N 1 2 214.215 1.053 20 0 BDADLO C[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000267036550 135151132 /nfs/dbraw/zinc/15/11/32/135151132.db2.gz GJKFKYQRTJTAQX-VHSXEESVSA-N 1 2 221.304 1.434 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cnc(N)s1 ZINC000261536211 135171688 /nfs/dbraw/zinc/17/16/88/135171688.db2.gz QTWYDMFONMNUNH-UHFFFAOYSA-N 1 2 223.305 1.080 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cnc(N)s1 ZINC000261536211 135171689 /nfs/dbraw/zinc/17/16/89/135171689.db2.gz QTWYDMFONMNUNH-UHFFFAOYSA-N 1 2 223.305 1.080 20 0 BDADLO CSCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000078880805 135244911 /nfs/dbraw/zinc/24/49/11/135244911.db2.gz JBFCXJOZVFUKFX-UHFFFAOYSA-N 1 2 225.317 1.449 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C(C)C)nn2)n(C)n1 ZINC000342237564 135254898 /nfs/dbraw/zinc/25/48/98/135254898.db2.gz TVNYUEHZMVCPDE-UHFFFAOYSA-N 1 2 248.334 1.191 20 0 BDADLO C[C@H]([NH3+])CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000261888342 135259999 /nfs/dbraw/zinc/25/99/99/135259999.db2.gz SUTBMSGRDGWTLG-QMMMGPOBSA-N 1 2 245.286 1.148 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C)OC[C@@H]2C)n1C ZINC000342781152 135317635 /nfs/dbraw/zinc/31/76/35/135317635.db2.gz NGILYKXETUBZPM-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN2CCOCC23CCC3)n1C ZINC000342783569 135317638 /nfs/dbraw/zinc/31/76/38/135317638.db2.gz QDIFLQPEEXUNGD-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1c[nH+]c(CN2CCOC[C@H]2C2CC2)n1C ZINC000342789818 135318744 /nfs/dbraw/zinc/31/87/44/135318744.db2.gz YGCXRKPMFUOJFK-LBPRGKRZSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1c[nH+]c(CN2CC=C(C)CC2)n1C ZINC000342792894 135319438 /nfs/dbraw/zinc/31/94/38/135319438.db2.gz QFYRYDPNUHZTEU-UHFFFAOYSA-N 1 2 205.305 1.881 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H](C(C)C)C2)n1C ZINC000342796165 135319709 /nfs/dbraw/zinc/31/97/09/135319709.db2.gz JDUQCPDWVRPEST-LBPRGKRZSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)s1 ZINC000262915975 135324271 /nfs/dbraw/zinc/32/42/71/135324271.db2.gz GILKNWFXNWNLNO-LURJTMIESA-N 1 2 247.270 1.387 20 0 BDADLO CC(C)C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262980092 135325496 /nfs/dbraw/zinc/32/54/96/135325496.db2.gz MQIRCBUFKZEPMM-SECBINFHSA-N 1 2 246.301 1.536 20 0 BDADLO CC1(C)CC(C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000334225520 135329992 /nfs/dbraw/zinc/32/99/92/135329992.db2.gz AYKOYUKIJBENPP-UHFFFAOYSA-N 1 2 233.315 1.662 20 0 BDADLO CC(C)[C@@H](CO)CNc1[nH+]cnc2c1cnn2C ZINC000342908794 135334011 /nfs/dbraw/zinc/33/40/11/135334011.db2.gz JFSSHKNLXPYPRV-SECBINFHSA-N 1 2 249.318 1.040 20 0 BDADLO COCc1cnc(C[N@H+](C)CC[C@@H](C)O)s1 ZINC000342942202 135337615 /nfs/dbraw/zinc/33/76/15/135337615.db2.gz LVHBHOWPGBGVQE-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO COCc1cnc(C[N@@H+](C)CC[C@@H](C)O)s1 ZINC000342942202 135337616 /nfs/dbraw/zinc/33/76/16/135337616.db2.gz LVHBHOWPGBGVQE-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cscn1 ZINC000334324983 135353037 /nfs/dbraw/zinc/35/30/37/135353037.db2.gz KLQAXGMQRDGVJM-UHFFFAOYSA-N 1 2 233.296 1.775 20 0 BDADLO CC[C@H](C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000079794580 135361588 /nfs/dbraw/zinc/36/15/88/135361588.db2.gz OUEHNHTUCVIRMM-NSHDSACASA-N 1 2 238.335 1.713 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000334353940 135369962 /nfs/dbraw/zinc/36/99/62/135369962.db2.gz JCDKBIDYIFIVFO-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccncc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000334353940 135369963 /nfs/dbraw/zinc/36/99/63/135369963.db2.gz JCDKBIDYIFIVFO-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=CCCC1 ZINC000334359985 135372001 /nfs/dbraw/zinc/37/20/01/135372001.db2.gz XTGJKZDXTUTSFJ-SNVBAGLBSA-N 1 2 231.299 1.494 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=CCCC1 ZINC000334359985 135372002 /nfs/dbraw/zinc/37/20/02/135372002.db2.gz XTGJKZDXTUTSFJ-SNVBAGLBSA-N 1 2 231.299 1.494 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC[C@@H]2C)c[nH+]1 ZINC000334363841 135373526 /nfs/dbraw/zinc/37/35/26/135373526.db2.gz LYGCBPJNBLGYGH-WCBMZHEXSA-N 1 2 221.304 1.884 20 0 BDADLO Cc1c[nH]nc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334376949 135377714 /nfs/dbraw/zinc/37/77/14/135377714.db2.gz FQGRBNASCZJBNP-LLVKDONJSA-N 1 2 231.303 1.778 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334392873 135384952 /nfs/dbraw/zinc/38/49/52/135384952.db2.gz YQVVGECEJQTTQX-JTQLQIEISA-N 1 2 235.331 1.608 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnnn2C)CCC1(F)F ZINC000334394925 135387323 /nfs/dbraw/zinc/38/73/23/135387323.db2.gz BEQPABZFYBWLMC-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnnn2C)CCC1(F)F ZINC000334394925 135387324 /nfs/dbraw/zinc/38/73/24/135387324.db2.gz BEQPABZFYBWLMC-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](CCC(F)(F)F)CCN12 ZINC000334398124 135389346 /nfs/dbraw/zinc/38/93/46/135389346.db2.gz DEBUIRSUHOQUNS-MRVPVSSYSA-N 1 2 236.237 1.245 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](CCC(F)(F)F)CCN12 ZINC000334398124 135389347 /nfs/dbraw/zinc/38/93/47/135389347.db2.gz DEBUIRSUHOQUNS-MRVPVSSYSA-N 1 2 236.237 1.245 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000334402385 135391073 /nfs/dbraw/zinc/39/10/73/135391073.db2.gz HMABPRDCJDQHAV-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000334402385 135391074 /nfs/dbraw/zinc/39/10/74/135391074.db2.gz HMABPRDCJDQHAV-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2coc3ccccc23)CCO1 ZINC000334427137 135397862 /nfs/dbraw/zinc/39/78/62/135397862.db2.gz WSIWRPAGPFRSAE-LBPRGKRZSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCO1 ZINC000334427137 135397863 /nfs/dbraw/zinc/39/78/63/135397863.db2.gz WSIWRPAGPFRSAE-LBPRGKRZSA-N 1 2 247.294 1.626 20 0 BDADLO Cc1cc(N2CC(CO)C2)nc(C(C)C)[nH+]1 ZINC000084988294 135477206 /nfs/dbraw/zinc/47/72/06/135477206.db2.gz ZHTXOZHAGPFHRH-UHFFFAOYSA-N 1 2 221.304 1.337 20 0 BDADLO CCN(C)C(=O)[C@H](C)Nc1cccc[nH+]1 ZINC000231866989 135639061 /nfs/dbraw/zinc/63/90/61/135639061.db2.gz BBKKDRXBZOPPPT-VIFPVBQESA-N 1 2 207.277 1.360 20 0 BDADLO Nc1ccc(NC(=O)CCOCC(F)F)c[nH+]1 ZINC000232336524 135654419 /nfs/dbraw/zinc/65/44/19/135654419.db2.gz ANJJPQUCOYKJOC-UHFFFAOYSA-N 1 2 245.229 1.274 20 0 BDADLO COc1cncc(C[NH2+][C@@H](C)c2nc(C)no2)c1 ZINC000343859890 135704804 /nfs/dbraw/zinc/70/48/04/135704804.db2.gz WAEAMACYCCVXKU-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO Cc1cc(N2CCOC[C@@H]2CC(F)F)nc[nH+]1 ZINC000343906218 135708920 /nfs/dbraw/zinc/70/89/20/135708920.db2.gz DCNBSMJDWKZMEV-VIFPVBQESA-N 1 2 243.257 1.645 20 0 BDADLO Cc1occc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000334610766 135779304 /nfs/dbraw/zinc/77/93/04/135779304.db2.gz DIRQJUNSNFUNOS-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO OC1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347656698 136001978 /nfs/dbraw/zinc/00/19/78/136001978.db2.gz BVXPQNZDUVZJEY-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347713784 136003272 /nfs/dbraw/zinc/00/32/72/136003272.db2.gz CWAVCJSHQVARLY-QMMMGPOBSA-N 1 2 231.246 1.092 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347713784 136003273 /nfs/dbraw/zinc/00/32/73/136003273.db2.gz CWAVCJSHQVARLY-QMMMGPOBSA-N 1 2 231.246 1.092 20 0 BDADLO CC(C)N1CC[N@H+](C[C@H]2CC[C@@H](C)O2)CC1=O ZINC000335294573 136005639 /nfs/dbraw/zinc/00/56/39/136005639.db2.gz WZFXUAMUJQYKIW-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)CC1=O ZINC000335294573 136005640 /nfs/dbraw/zinc/00/56/40/136005640.db2.gz WZFXUAMUJQYKIW-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CCCC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCC1 ZINC000347933352 136019085 /nfs/dbraw/zinc/01/90/85/136019085.db2.gz XSOBNHNDPIDEEQ-SNVBAGLBSA-N 1 2 238.335 1.959 20 0 BDADLO CCN(CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000335302739 136021330 /nfs/dbraw/zinc/02/13/30/136021330.db2.gz VGUZLEPSFLXBLX-UHFFFAOYSA-N 1 2 222.292 1.161 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ncccc1Cl ZINC000335315394 136024537 /nfs/dbraw/zinc/02/45/37/136024537.db2.gz YKILVOILLCSLGF-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ncccc1Cl ZINC000335315394 136024538 /nfs/dbraw/zinc/02/45/38/136024538.db2.gz YKILVOILLCSLGF-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO CC1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000335318735 136026287 /nfs/dbraw/zinc/02/62/87/136026287.db2.gz SQASQBSSZRJJLP-UHFFFAOYSA-N 1 2 241.294 1.964 20 0 BDADLO CCCC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000335307172 136027160 /nfs/dbraw/zinc/02/71/60/136027160.db2.gz YPNRDXQILSGCFO-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCc2ccccc2)CCOC1 ZINC000348077153 136034525 /nfs/dbraw/zinc/03/45/25/136034525.db2.gz QYQPNMQWNDVRQI-CQSZACIVSA-N 1 2 249.310 1.151 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000348223154 136047637 /nfs/dbraw/zinc/04/76/37/136047637.db2.gz IRGGVVSMPRJBIH-AAEUAGOBSA-N 1 2 238.306 1.549 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000348223154 136047638 /nfs/dbraw/zinc/04/76/38/136047638.db2.gz IRGGVVSMPRJBIH-AAEUAGOBSA-N 1 2 238.306 1.549 20 0 BDADLO Cc1ccnc(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000348195229 136051040 /nfs/dbraw/zinc/05/10/40/136051040.db2.gz LPMONBCKBNVDPT-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c(Cl)cnn2C)C[C@H]1O ZINC000335328836 136053225 /nfs/dbraw/zinc/05/32/25/136053225.db2.gz KUSLMXMTAZKRQW-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C[C@H]1O ZINC000335328836 136053226 /nfs/dbraw/zinc/05/32/26/136053226.db2.gz KUSLMXMTAZKRQW-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000335333868 136055241 /nfs/dbraw/zinc/05/52/41/136055241.db2.gz MKADEIKFUNFNAG-JTQLQIEISA-N 1 2 247.323 1.689 20 0 BDADLO Cc1cc[nH+]cc1CCCN1CC(F)C1 ZINC000348234247 136061039 /nfs/dbraw/zinc/06/10/39/136061039.db2.gz WXMHNXBMSDNGPI-UHFFFAOYSA-N 1 2 208.280 1.976 20 0 BDADLO Cc1[nH]ncc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000335354833 136071092 /nfs/dbraw/zinc/07/10/92/136071092.db2.gz AFHOKXLYPHADHN-CYBMUJFWSA-N 1 2 242.326 1.608 20 0 BDADLO CCOC[C@H]([NH2+]Cc1noc(CC)n1)C(C)C ZINC000348469625 136079878 /nfs/dbraw/zinc/07/98/78/136079878.db2.gz NRUQEFDVWRHQON-JTQLQIEISA-N 1 2 241.335 1.783 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000335385868 136088800 /nfs/dbraw/zinc/08/88/00/136088800.db2.gz BJTJDFDVQCKAEG-MNOVXSKESA-N 1 2 234.299 1.302 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000335396229 136092465 /nfs/dbraw/zinc/09/24/65/136092465.db2.gz UDAKVQKQBDNSDM-JTQLQIEISA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000335396229 136092466 /nfs/dbraw/zinc/09/24/66/136092466.db2.gz UDAKVQKQBDNSDM-JTQLQIEISA-N 1 2 241.722 1.030 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335546982 136096892 /nfs/dbraw/zinc/09/68/92/136096892.db2.gz AVUUHRJONWGTEG-SNVBAGLBSA-N 1 2 244.298 1.090 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC=C(F)C1 ZINC000335555081 136099306 /nfs/dbraw/zinc/09/93/06/136099306.db2.gz ZPQBNXRJCXNZPT-SNVBAGLBSA-N 1 2 249.289 1.531 20 0 BDADLO CC[C@@H]1CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335556257 136099539 /nfs/dbraw/zinc/09/95/39/136099539.db2.gz CLPJHHRPPNEWGQ-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)NCC2CC2)n1 ZINC000348580053 136100815 /nfs/dbraw/zinc/10/08/15/136100815.db2.gz RFOGSGDJIYJGRL-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)NCC2CC2)n1 ZINC000348580053 136100816 /nfs/dbraw/zinc/10/08/16/136100816.db2.gz RFOGSGDJIYJGRL-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335567031 136107690 /nfs/dbraw/zinc/10/76/90/136107690.db2.gz IJVAIZAUDWSWPE-SECBINFHSA-N 1 2 239.344 1.401 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cnns1 ZINC000335570615 136109248 /nfs/dbraw/zinc/10/92/48/136109248.db2.gz UOSQCVGLGKBBQR-SFYZADRCSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cnns1 ZINC000335570615 136109249 /nfs/dbraw/zinc/10/92/49/136109249.db2.gz UOSQCVGLGKBBQR-SFYZADRCSA-N 1 2 229.374 1.864 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000050373130 322849475 /nfs/dbraw/zinc/84/94/75/322849475.db2.gz WZENHDQNGDMLSR-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H](CCO)C(C)(C)C ZINC000181462198 397806924 /nfs/dbraw/zinc/80/69/24/397806924.db2.gz CWACUEZPVKJHEK-SNVBAGLBSA-N 1 2 245.363 1.715 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000181462219 397807205 /nfs/dbraw/zinc/80/72/05/397807205.db2.gz CWACUEZPVKJHEK-JTQLQIEISA-N 1 2 245.363 1.715 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOCC2CC2)n1 ZINC000309362119 397858271 /nfs/dbraw/zinc/85/82/71/397858271.db2.gz AOVYVSVWRFIJTG-QMMMGPOBSA-N 1 2 225.292 1.455 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H](C)CCO ZINC000650107258 397927087 /nfs/dbraw/zinc/92/70/87/397927087.db2.gz MHNHPRMRJRENCH-SNVBAGLBSA-N 1 2 237.303 1.047 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCCn1cc[nH+]c1 ZINC000448695240 397936220 /nfs/dbraw/zinc/93/62/20/397936220.db2.gz VGJYHYVXJKGMNU-SDDRHHMPSA-N 1 2 233.315 1.436 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000414564163 397965714 /nfs/dbraw/zinc/96/57/14/397965714.db2.gz CLJHZDJJGQQHPF-GWCFXTLKSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)o1 ZINC000414564163 397965716 /nfs/dbraw/zinc/96/57/16/397965716.db2.gz CLJHZDJJGQQHPF-GWCFXTLKSA-N 1 2 239.315 1.424 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(C)o1 ZINC000266967466 397941927 /nfs/dbraw/zinc/94/19/27/397941927.db2.gz MUNVSXPGLQLFRF-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO CCCCCOCC(=O)NCc1[nH]c[nH+]c1C ZINC000267247132 397944359 /nfs/dbraw/zinc/94/43/59/397944359.db2.gz RFENNMGGSLMZSP-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO [NH3+][C@H]1CCC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000382461472 397951329 /nfs/dbraw/zinc/95/13/29/397951329.db2.gz WLOJGRUEEMSCJM-IUCAKERBSA-N 1 2 238.360 1.519 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)Cc1cccnc1 ZINC000649567040 397956429 /nfs/dbraw/zinc/95/64/29/397956429.db2.gz BMBJNWJXCUMZDB-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)Cc1cccnc1 ZINC000649567040 397956433 /nfs/dbraw/zinc/95/64/33/397956433.db2.gz BMBJNWJXCUMZDB-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCN(Cc1ccoc1)c1nc(C)[nH+]c(N)n1 ZINC000631095147 397958313 /nfs/dbraw/zinc/95/83/13/397958313.db2.gz URLSCTJHGUOLGF-UHFFFAOYSA-N 1 2 233.275 1.212 20 0 BDADLO CCN(Cc1ccoc1)c1nc(N)nc(C)[nH+]1 ZINC000631095147 397958318 /nfs/dbraw/zinc/95/83/18/397958318.db2.gz URLSCTJHGUOLGF-UHFFFAOYSA-N 1 2 233.275 1.212 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cc(C)nn1C ZINC000385114240 397962313 /nfs/dbraw/zinc/96/23/13/397962313.db2.gz DIDPRZAXNRKHIX-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000110127491 397902848 /nfs/dbraw/zinc/90/28/48/397902848.db2.gz NYRJSDSNRYWAMI-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccon1 ZINC000308982214 397962785 /nfs/dbraw/zinc/96/27/85/397962785.db2.gz IOCLUJVFGCFNMZ-FSPLSTOPSA-N 1 2 224.182 1.248 20 0 BDADLO CCC[C@H](CNc1ccc(OC)c[nH+]1)OC ZINC000382181157 397918777 /nfs/dbraw/zinc/91/87/77/397918777.db2.gz ZKNZAJQRZYGAQB-SNVBAGLBSA-N 1 2 224.304 1.739 20 0 BDADLO CC[C@H]1[C@H](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000355786910 397922649 /nfs/dbraw/zinc/92/26/49/397922649.db2.gz SEIGEQPJEVIZLM-KOLCDFICSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@H]1[C@H](C)CCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000355786910 397922651 /nfs/dbraw/zinc/92/26/51/397922651.db2.gz SEIGEQPJEVIZLM-KOLCDFICSA-N 1 2 249.362 1.871 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CCCC1 ZINC000649531077 397922931 /nfs/dbraw/zinc/92/29/31/397922931.db2.gz XOTKSOIMWRTTDF-QWHCGFSZSA-N 1 2 247.342 1.826 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cn(C)nn2)c1F ZINC000389818722 397992914 /nfs/dbraw/zinc/99/29/14/397992914.db2.gz WSMMOMDAQXSIRF-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccs1 ZINC000029594270 397994554 /nfs/dbraw/zinc/99/45/54/397994554.db2.gz KCFPKMCVOMCIQA-SECBINFHSA-N 1 2 235.312 1.822 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]cc[nH+]2)o1 ZINC000533582365 322861761 /nfs/dbraw/zinc/86/17/61/322861761.db2.gz AHJRWTUZMPQGSX-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO CCS(=O)(=O)CC[NH+]1CC2(C1)CCCC2 ZINC000372498088 398004621 /nfs/dbraw/zinc/00/46/21/398004621.db2.gz VVGQJWRMOKLVOI-UHFFFAOYSA-N 1 2 231.361 1.297 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)C[S@](C)=O ZINC000184281992 398016818 /nfs/dbraw/zinc/01/68/18/398016818.db2.gz ZZLQMQIAVITUMD-KUTMEBCESA-N 1 2 229.349 1.136 20 0 BDADLO C[C@H](CC(=O)NC[C@@H](C)C1CC1)n1cc[nH+]c1 ZINC000649646611 398020349 /nfs/dbraw/zinc/02/03/49/398020349.db2.gz KATKAQPQCQYZBR-GHMZBOCLSA-N 1 2 235.331 1.997 20 0 BDADLO Cc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)on1 ZINC000649650763 398021198 /nfs/dbraw/zinc/02/11/98/398021198.db2.gz KUONQMVBINTNEB-SNVBAGLBSA-N 1 2 248.286 1.447 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[C@@H]1C)C2 ZINC000365082675 398021690 /nfs/dbraw/zinc/02/16/90/398021690.db2.gz NTSLJADINBBVSR-INTQDDNPSA-N 1 2 233.315 1.279 20 0 BDADLO Cn1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000277010891 398024773 /nfs/dbraw/zinc/02/47/73/398024773.db2.gz XZHUJVYVUKACBC-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000277010891 398024778 /nfs/dbraw/zinc/02/47/78/398024778.db2.gz XZHUJVYVUKACBC-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cc[nH+]c1CN1CCCC(F)(F)C1 ZINC000649692928 398040138 /nfs/dbraw/zinc/04/01/38/398040138.db2.gz KDJJHXMNDLJSKQ-UHFFFAOYSA-N 1 2 215.247 1.651 20 0 BDADLO Cc1nnsc1C[NH2+][C@@H](C)c1ccon1 ZINC000649585817 397974797 /nfs/dbraw/zinc/97/47/97/397974797.db2.gz HPGZIVHHQYQXAN-LURJTMIESA-N 1 2 224.289 1.685 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000649591235 397978239 /nfs/dbraw/zinc/97/82/39/397978239.db2.gz RAEGJBWXNJVCMR-SFGNSQDASA-N 1 2 241.360 1.844 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000649591235 397978244 /nfs/dbraw/zinc/97/82/44/397978244.db2.gz RAEGJBWXNJVCMR-SFGNSQDASA-N 1 2 241.360 1.844 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1cc(C)no1 ZINC000272624337 397980360 /nfs/dbraw/zinc/98/03/60/397980360.db2.gz VGYXSNUWUDQQSZ-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1cc(C)no1 ZINC000272624337 397980363 /nfs/dbraw/zinc/98/03/63/397980363.db2.gz VGYXSNUWUDQQSZ-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO CC[C@@H]([NH2+]CCSCC(C)C)C(=O)OC ZINC000336726777 397983094 /nfs/dbraw/zinc/98/30/94/397983094.db2.gz HASCLUJQCDBAPG-SNVBAGLBSA-N 1 2 233.377 1.917 20 0 BDADLO C[C@@H]1CN(C)CC[N@@H+]1Cc1ccccn1 ZINC000203773813 397987564 /nfs/dbraw/zinc/98/75/64/397987564.db2.gz BWESDDLFSGEAPU-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO C[C@@H]1CN(C)CC[N@H+]1Cc1ccccn1 ZINC000203773813 397987566 /nfs/dbraw/zinc/98/75/66/397987566.db2.gz BWESDDLFSGEAPU-LLVKDONJSA-N 1 2 205.305 1.218 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)nn2)[C@@H](CC)CO1 ZINC000649718759 398060650 /nfs/dbraw/zinc/06/06/50/398060650.db2.gz FYQHTGITTAITDR-NWDGAFQWSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)nn2)[C@@H](CC)CO1 ZINC000649718759 398060651 /nfs/dbraw/zinc/06/06/51/398060651.db2.gz FYQHTGITTAITDR-NWDGAFQWSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc[nH]n1 ZINC000649719131 398061409 /nfs/dbraw/zinc/06/14/09/398061409.db2.gz MDTLDLUAAHXJGO-NEPJUHHUSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc[nH]n1 ZINC000649719131 398061412 /nfs/dbraw/zinc/06/14/12/398061412.db2.gz MDTLDLUAAHXJGO-NEPJUHHUSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)CN1Cc1c[nH+]cn1C ZINC000649720575 398062380 /nfs/dbraw/zinc/06/23/80/398062380.db2.gz LMVNEJDBESWMLF-YPMHNXCESA-N 1 2 237.347 1.810 20 0 BDADLO C[N@H+](CCCO)CC(=O)OCc1ccccc1 ZINC000281853756 398064966 /nfs/dbraw/zinc/06/49/66/398064966.db2.gz NTAYRZIBZFLTJX-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO C[N@@H+](CCCO)CC(=O)OCc1ccccc1 ZINC000281853756 398064968 /nfs/dbraw/zinc/06/49/68/398064968.db2.gz NTAYRZIBZFLTJX-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H](CC)CO)s1 ZINC000649725294 398066999 /nfs/dbraw/zinc/06/69/99/398066999.db2.gz SCEOURPGLFAKHX-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H](CC)CO)s1 ZINC000649725294 398067005 /nfs/dbraw/zinc/06/70/05/398067005.db2.gz SCEOURPGLFAKHX-MRVPVSSYSA-N 1 2 229.349 1.303 20 0 BDADLO C[C@@H](CO)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000282941305 398070312 /nfs/dbraw/zinc/07/03/12/398070312.db2.gz YEFJDVAFBKKBKA-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](CO)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000282941305 398070315 /nfs/dbraw/zinc/07/03/15/398070315.db2.gz YEFJDVAFBKKBKA-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)no2)[C@@H](C)CO1 ZINC000649732232 398072376 /nfs/dbraw/zinc/07/23/76/398072376.db2.gz UTPLWIKHKRMMHF-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)no2)[C@@H](C)CO1 ZINC000649732232 398072379 /nfs/dbraw/zinc/07/23/79/398072379.db2.gz UTPLWIKHKRMMHF-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nc(N2CCC[C@H]2C(=O)NC2CC2)cc[nH+]1 ZINC000266444060 398076198 /nfs/dbraw/zinc/07/61/98/398076198.db2.gz WQZAQCXWALUGAE-NSHDSACASA-N 1 2 246.314 1.032 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@H]1C ZINC000492459466 398077775 /nfs/dbraw/zinc/07/77/75/398077775.db2.gz PRIFXKXIOBUROD-JMEBYUIHSA-N 1 2 233.315 1.927 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@H]2CCCOC2)[nH]1 ZINC000649755118 398085284 /nfs/dbraw/zinc/08/52/84/398085284.db2.gz FRDJDBVKFMYDPL-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@H]2CCCOC2)[nH]1 ZINC000649755118 398085289 /nfs/dbraw/zinc/08/52/89/398085289.db2.gz FRDJDBVKFMYDPL-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO C[N@H+](Cc1ccc(Cl)cn1)C(C)(C)C(N)=O ZINC000649711212 398055718 /nfs/dbraw/zinc/05/57/18/398055718.db2.gz JVUGLQYKCKJJQE-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)cn1)C(C)(C)C(N)=O ZINC000649711212 398055721 /nfs/dbraw/zinc/05/57/21/398055721.db2.gz JVUGLQYKCKJJQE-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280520516 398056269 /nfs/dbraw/zinc/05/62/69/398056269.db2.gz MOXWSNOOTTYJOE-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280520516 398056274 /nfs/dbraw/zinc/05/62/74/398056274.db2.gz MOXWSNOOTTYJOE-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn[nH]c2C)CCCO1 ZINC000281169245 398057887 /nfs/dbraw/zinc/05/78/87/398057887.db2.gz GURVJSFSABBXJE-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn[nH]c2C)CCCO1 ZINC000281169245 398057894 /nfs/dbraw/zinc/05/78/94/398057894.db2.gz GURVJSFSABBXJE-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CN(CCC1CC1)c1cc(CO)cc[nH+]1 ZINC000308845101 398098204 /nfs/dbraw/zinc/09/82/04/398098204.db2.gz LXKGDWVKSAFJKD-UHFFFAOYSA-N 1 2 206.289 1.810 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC(C)(F)F ZINC000521556376 398096808 /nfs/dbraw/zinc/09/68/08/398096808.db2.gz HDVSVUBRNSNXCL-UHFFFAOYSA-N 1 2 246.261 1.357 20 0 BDADLO c1nnc([C@H]([NH2+]C2CCCC2)c2cccnc2)[nH]1 ZINC000293945568 398118021 /nfs/dbraw/zinc/11/80/21/398118021.db2.gz YZBDCNOSPORVAV-GFCCVEGCSA-N 1 2 243.314 1.821 20 0 BDADLO OCC[C@@H]1CCC[N@H+](CC(F)F)CC1 ZINC000643256687 398118682 /nfs/dbraw/zinc/11/86/82/398118682.db2.gz BCMJBGCZBNBQOJ-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO OCC[C@@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000643256687 398118684 /nfs/dbraw/zinc/11/86/84/398118684.db2.gz BCMJBGCZBNBQOJ-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO Cc1nc(C[NH+]2CCC([C@H](C)CO)CC2)no1 ZINC000649803482 398111827 /nfs/dbraw/zinc/11/18/27/398111827.db2.gz KFVGJSBXIMNPMS-SECBINFHSA-N 1 2 239.319 1.218 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000336690841 398132912 /nfs/dbraw/zinc/13/29/12/398132912.db2.gz HYEUSQKQOJZFAR-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000336690841 398132914 /nfs/dbraw/zinc/13/29/14/398132914.db2.gz HYEUSQKQOJZFAR-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CCCCC1 ZINC000547864489 398133570 /nfs/dbraw/zinc/13/35/70/398133570.db2.gz DVCQZXCHGHGXCH-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCOCC[C@H]1C ZINC000376854693 167021682 /nfs/dbraw/zinc/02/16/82/167021682.db2.gz BRBIIDWEBSEGDR-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCOCC[C@H]1C ZINC000376854693 167021684 /nfs/dbraw/zinc/02/16/84/167021684.db2.gz BRBIIDWEBSEGDR-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccco1 ZINC000041392463 167047872 /nfs/dbraw/zinc/04/78/72/167047872.db2.gz HHYHLYJJXMDQDY-UHFFFAOYSA-N 1 2 210.277 1.236 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000041392463 167047874 /nfs/dbraw/zinc/04/78/74/167047874.db2.gz HHYHLYJJXMDQDY-UHFFFAOYSA-N 1 2 210.277 1.236 20 0 BDADLO COCCOCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353173106 174352965 /nfs/dbraw/zinc/35/29/65/174352965.db2.gz OJOYRHDYQMMEMM-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO Cc1nn(Cc2ccc[nH+]c2C)c(C)c1CCO ZINC000685580450 487557981 /nfs/dbraw/zinc/55/79/81/487557981.db2.gz YUZORWHOVNYNBQ-UHFFFAOYSA-N 1 2 245.326 1.786 20 0 BDADLO CC(C)(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000680290990 487558520 /nfs/dbraw/zinc/55/85/20/487558520.db2.gz QLGOBIKMLWTUFD-LLVKDONJSA-N 1 2 235.331 1.778 20 0 BDADLO CC1(C2CC2)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000685597197 487561963 /nfs/dbraw/zinc/56/19/63/487561963.db2.gz ZKUYBJQLIUPRCZ-UHFFFAOYSA-N 1 2 236.319 1.522 20 0 BDADLO O=C(CC1(O)CCC1)Nc1c[nH+]c2n1CCCC2 ZINC000556367121 322904386 /nfs/dbraw/zinc/90/43/86/322904386.db2.gz QTDBALASXWXDSD-UHFFFAOYSA-N 1 2 249.314 1.463 20 0 BDADLO Cn1cnnc1C[NH+]1CCC(C(F)F)CC1 ZINC000536355214 322910365 /nfs/dbraw/zinc/91/03/65/322910365.db2.gz RILFSDYZNHZKNU-UHFFFAOYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CCOC1 ZINC000680391707 487583202 /nfs/dbraw/zinc/58/32/02/487583202.db2.gz WMGKFUNRJZTPOS-CYBMUJFWSA-N 1 2 245.282 1.699 20 0 BDADLO CC(C)OCC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338285667 167236028 /nfs/dbraw/zinc/23/60/28/167236028.db2.gz UVSFOBRCVLDVOB-GFCCVEGCSA-N 1 2 241.331 1.091 20 0 BDADLO CC(C)OCC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338285667 167236030 /nfs/dbraw/zinc/23/60/30/167236030.db2.gz UVSFOBRCVLDVOB-GFCCVEGCSA-N 1 2 241.331 1.091 20 0 BDADLO CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255115453 322913827 /nfs/dbraw/zinc/91/38/27/322913827.db2.gz VCBLWUWBJJBAHA-DAXSKMNVSA-N 1 2 227.267 1.632 20 0 BDADLO CCC(C)(C)[N@H+](C)Cc1noc(COC)n1 ZINC000679536037 487589786 /nfs/dbraw/zinc/58/97/86/487589786.db2.gz IXGMYHYVAGYEKX-UHFFFAOYSA-N 1 2 227.308 1.836 20 0 BDADLO CCC(C)(C)[N@@H+](C)Cc1noc(COC)n1 ZINC000679536037 487589791 /nfs/dbraw/zinc/58/97/91/487589791.db2.gz IXGMYHYVAGYEKX-UHFFFAOYSA-N 1 2 227.308 1.836 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(O)c1F ZINC000530289175 487595219 /nfs/dbraw/zinc/59/52/19/487595219.db2.gz YMFFRYMVHDLXTQ-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(O)c1F ZINC000530289175 487595223 /nfs/dbraw/zinc/59/52/23/487595223.db2.gz YMFFRYMVHDLXTQ-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO CCS(=O)(=O)C1C[NH+]([C@H](C)CC(C)C)C1 ZINC000660728353 409670612 /nfs/dbraw/zinc/67/06/12/409670612.db2.gz QMMOIAOCUSRLJT-SNVBAGLBSA-N 1 2 233.377 1.540 20 0 BDADLO CC[C@@H](NC(=O)C1CCOCC1)c1[nH]cc[nH+]1 ZINC000140620475 409826904 /nfs/dbraw/zinc/82/69/04/409826904.db2.gz PJLCAYTZVUGRLR-SNVBAGLBSA-N 1 2 237.303 1.404 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CC=CC1 ZINC000660843392 409837015 /nfs/dbraw/zinc/83/70/15/409837015.db2.gz GMAHYHKAPLMYIZ-UHFFFAOYSA-N 1 2 209.249 1.173 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CC=CC1 ZINC000660843392 409837019 /nfs/dbraw/zinc/83/70/19/409837019.db2.gz GMAHYHKAPLMYIZ-UHFFFAOYSA-N 1 2 209.249 1.173 20 0 BDADLO COc1cc(C)[nH+]c(CNc2cnn(C)c2)c1 ZINC000214057986 409792062 /nfs/dbraw/zinc/79/20/62/409792062.db2.gz ICIIQJIGTXGIIP-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[C@H](CO)CSCc1c[nH+]cn1C ZINC000085191627 409916566 /nfs/dbraw/zinc/91/65/66/409916566.db2.gz LUUKTDGPVLBITG-MRVPVSSYSA-N 1 2 200.307 1.282 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046386183 409968890 /nfs/dbraw/zinc/96/88/90/409968890.db2.gz QBTYSYNAQCCKEU-KOLCDFICSA-N 1 2 233.315 1.420 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000662987964 410013926 /nfs/dbraw/zinc/01/39/26/410013926.db2.gz ZFNGPQYLJPGOAR-YIZRAAEISA-N 1 2 240.376 2.000 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000662987964 410013933 /nfs/dbraw/zinc/01/39/33/410013933.db2.gz ZFNGPQYLJPGOAR-YIZRAAEISA-N 1 2 240.376 2.000 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628120442 410021871 /nfs/dbraw/zinc/02/18/71/410021871.db2.gz NMVKSZQCODYTKU-UHFFFAOYSA-N 1 2 237.303 1.072 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628120442 410021875 /nfs/dbraw/zinc/02/18/75/410021875.db2.gz NMVKSZQCODYTKU-UHFFFAOYSA-N 1 2 237.303 1.072 20 0 BDADLO CC(C)c1noc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661083172 410117723 /nfs/dbraw/zinc/11/77/23/410117723.db2.gz ACJPZCZEFSIFMN-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO CC(C)c1noc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661083172 410117728 /nfs/dbraw/zinc/11/77/28/410117728.db2.gz ACJPZCZEFSIFMN-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)C(F)F)c1[nH]cc[nH+]1 ZINC000655403446 410208011 /nfs/dbraw/zinc/20/80/11/410208011.db2.gz AVARUMOLPTWKNI-ZCFIWIBFSA-N 1 2 231.246 1.878 20 0 BDADLO Cc1ccc(Cn2cccnc2=O)c(C)[nH+]1 ZINC000663956946 410405491 /nfs/dbraw/zinc/40/54/91/410405491.db2.gz ABNNQEZWYWRHEP-UHFFFAOYSA-N 1 2 215.256 1.303 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2CCNC2=O)cc[nH+]1 ZINC000664134733 410463367 /nfs/dbraw/zinc/46/33/67/410463367.db2.gz NXXNSRLRKIPMBL-QMMMGPOBSA-N 1 2 234.303 1.075 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CC2 ZINC000661340086 410565744 /nfs/dbraw/zinc/56/57/44/410565744.db2.gz HZKIREJQGVANMW-SECBINFHSA-N 1 2 220.276 1.104 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CC2 ZINC000661340086 410565746 /nfs/dbraw/zinc/56/57/46/410565746.db2.gz HZKIREJQGVANMW-SECBINFHSA-N 1 2 220.276 1.104 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@H]3C[C@H]3C2)nc[nH+]1 ZINC000664525764 410594818 /nfs/dbraw/zinc/59/48/18/410594818.db2.gz QOXRDNQAFOZTFR-DCAQKATOSA-N 1 2 248.330 1.116 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@H]3C[C@H]3C2)[nH+]cn1 ZINC000664525764 410594824 /nfs/dbraw/zinc/59/48/24/410594824.db2.gz QOXRDNQAFOZTFR-DCAQKATOSA-N 1 2 248.330 1.116 20 0 BDADLO O[C@@H]1CC[N@H+](CCC2CC2)CC1(F)F ZINC000661397938 410613218 /nfs/dbraw/zinc/61/32/18/410613218.db2.gz FXPWQKPAHNYWMU-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC2CC2)CC1(F)F ZINC000661397938 410613221 /nfs/dbraw/zinc/61/32/21/410613221.db2.gz FXPWQKPAHNYWMU-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2(O)CCC2)s1 ZINC000680581930 487618079 /nfs/dbraw/zinc/61/80/79/487618079.db2.gz XUUNXKVMRHFUDK-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2(O)CCC2)s1 ZINC000680581930 487618080 /nfs/dbraw/zinc/61/80/80/487618080.db2.gz XUUNXKVMRHFUDK-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2COC(C)(C)C2)o1 ZINC000661528862 410729982 /nfs/dbraw/zinc/72/99/82/410729982.db2.gz RFGXGURDFXHTHP-SECBINFHSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2COC(C)(C)C2)o1 ZINC000661528862 410729986 /nfs/dbraw/zinc/72/99/86/410729986.db2.gz RFGXGURDFXHTHP-SECBINFHSA-N 1 2 225.292 1.377 20 0 BDADLO CCc1cc(NC[C@@H](C)CCCO)nc[nH+]1 ZINC000394979942 410834745 /nfs/dbraw/zinc/83/47/45/410834745.db2.gz VUYNUFJNMHFVGJ-JTQLQIEISA-N 1 2 223.320 1.281 20 0 BDADLO CC(C)C[NH2+]c1ccc(OCC(N)=O)cc1 ZINC000037041170 167017656 /nfs/dbraw/zinc/01/76/56/167017656.db2.gz IXAACXXFODCBPU-UHFFFAOYSA-N 1 2 222.288 1.619 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000362027896 167021198 /nfs/dbraw/zinc/02/11/98/167021198.db2.gz ZSJJQTPKZTVVNI-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000362027896 167021202 /nfs/dbraw/zinc/02/12/02/167021202.db2.gz ZSJJQTPKZTVVNI-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)N1CC[C@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000295162071 167025388 /nfs/dbraw/zinc/02/53/88/167025388.db2.gz NHSDABXJIBUTBL-ZDUSSCGKSA-N 1 2 247.342 1.523 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000295162071 167025391 /nfs/dbraw/zinc/02/53/91/167025391.db2.gz NHSDABXJIBUTBL-ZDUSSCGKSA-N 1 2 247.342 1.523 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(Cl)o1 ZINC000349576888 167049894 /nfs/dbraw/zinc/04/98/94/167049894.db2.gz HFBRSOPBMKGICI-UHFFFAOYSA-N 1 2 244.722 1.889 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(Cl)o1 ZINC000349576888 167049896 /nfs/dbraw/zinc/04/98/96/167049896.db2.gz HFBRSOPBMKGICI-UHFFFAOYSA-N 1 2 244.722 1.889 20 0 BDADLO CC(C)NC(=O)CNc1[nH+]c2ccccc2n1C ZINC000079044459 167061156 /nfs/dbraw/zinc/06/11/56/167061156.db2.gz UTCRLRMPKONNDW-UHFFFAOYSA-N 1 2 246.314 1.510 20 0 BDADLO CC(C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000047575088 167073633 /nfs/dbraw/zinc/07/36/33/167073633.db2.gz RZDFJFFWCHBNHA-UHFFFAOYSA-N 1 2 236.319 1.355 20 0 BDADLO CC(C)OCC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338285668 167233893 /nfs/dbraw/zinc/23/38/93/167233893.db2.gz UVSFOBRCVLDVOB-LBPRGKRZSA-N 1 2 241.331 1.091 20 0 BDADLO CC(C)OCC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338285668 167233894 /nfs/dbraw/zinc/23/38/94/167233894.db2.gz UVSFOBRCVLDVOB-LBPRGKRZSA-N 1 2 241.331 1.091 20 0 BDADLO CC(C)OC[C@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000364196006 167271079 /nfs/dbraw/zinc/27/10/79/167271079.db2.gz GSEYAJSBYGUBSA-PGLGOXFNSA-N 1 2 233.739 1.865 20 0 BDADLO CC(C)OC[C@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000364196006 167271082 /nfs/dbraw/zinc/27/10/82/167271082.db2.gz GSEYAJSBYGUBSA-PGLGOXFNSA-N 1 2 233.739 1.865 20 0 BDADLO CC(C)ONC(=O)NCc1cn2ccccc2[nH+]1 ZINC000295900801 167276630 /nfs/dbraw/zinc/27/66/30/167276630.db2.gz ILJZVZPONANHHB-UHFFFAOYSA-N 1 2 248.286 1.474 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353907482 167350574 /nfs/dbraw/zinc/35/05/74/167350574.db2.gz YCZVLKLPSGJIAB-NWDGAFQWSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353907482 167350576 /nfs/dbraw/zinc/35/05/76/167350576.db2.gz YCZVLKLPSGJIAB-NWDGAFQWSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000069688893 167353796 /nfs/dbraw/zinc/35/37/96/167353796.db2.gz RPKFWTCBRMLTEE-MRVPVSSYSA-N 1 2 207.277 1.894 20 0 BDADLO Cc1n[nH]c(=NCCC[N@@H+](C)CC(C)C)s1 ZINC000651363810 410952736 /nfs/dbraw/zinc/95/27/36/410952736.db2.gz JAYGGOBCNOUIJE-UHFFFAOYSA-N 1 2 242.392 1.658 20 0 BDADLO Cc1n[nH]c(=NCCC[N@H+](C)CC(C)C)s1 ZINC000651363810 410952743 /nfs/dbraw/zinc/95/27/43/410952743.db2.gz JAYGGOBCNOUIJE-UHFFFAOYSA-N 1 2 242.392 1.658 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@H](CO)CCF ZINC000651463107 411046924 /nfs/dbraw/zinc/04/69/24/411046924.db2.gz KKWSLFBHQMMBDU-VIFPVBQESA-N 1 2 237.278 1.128 20 0 BDADLO CCC(F)(F)CNc1nc[nH+]c(N)c1OC ZINC000624560852 411062714 /nfs/dbraw/zinc/06/27/14/411062714.db2.gz ZJTQRVCODAXQHR-UHFFFAOYSA-N 1 2 232.234 1.525 20 0 BDADLO CCC(F)(F)CNc1[nH+]cnc(N)c1OC ZINC000624560852 411062721 /nfs/dbraw/zinc/06/27/21/411062721.db2.gz ZJTQRVCODAXQHR-UHFFFAOYSA-N 1 2 232.234 1.525 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000644794023 411068241 /nfs/dbraw/zinc/06/82/41/411068241.db2.gz HMJIBCJKVZUTDA-VHSXEESVSA-N 1 2 231.299 1.114 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651596374 411127822 /nfs/dbraw/zinc/12/78/22/411127822.db2.gz HIAFWAVFPZWBRI-MNOVXSKESA-N 1 2 246.310 1.974 20 0 BDADLO C[C@H](O)C(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651625887 411131446 /nfs/dbraw/zinc/13/14/46/411131446.db2.gz WMEPWAROPFQADS-UWVGGRQHSA-N 1 2 239.319 1.110 20 0 BDADLO Cc1ccccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000212311514 411145935 /nfs/dbraw/zinc/14/59/35/411145935.db2.gz UOXXXAZYDLVHEL-SNVBAGLBSA-N 1 2 229.283 1.307 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2CC)[C@@H](C)CO1 ZINC000651931473 411150688 /nfs/dbraw/zinc/15/06/88/411150688.db2.gz UDQREEZNRGGSLP-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2CC)[C@@H](C)CO1 ZINC000651931473 411150689 /nfs/dbraw/zinc/15/06/89/411150689.db2.gz UDQREEZNRGGSLP-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CC)c2)[C@H](C)CO1 ZINC000651931433 411150695 /nfs/dbraw/zinc/15/06/95/411150695.db2.gz RZRWXHSKDGHZFE-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)[C@H](C)CO1 ZINC000651931433 411150696 /nfs/dbraw/zinc/15/06/96/411150696.db2.gz RZRWXHSKDGHZFE-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000652055998 411100743 /nfs/dbraw/zinc/10/07/43/411100743.db2.gz SSXQJVPSYYJBNV-NTZNESFSSA-N 1 2 235.331 1.449 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000652055998 411100748 /nfs/dbraw/zinc/10/07/48/411100748.db2.gz SSXQJVPSYYJBNV-NTZNESFSSA-N 1 2 235.331 1.449 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000652059940 411102005 /nfs/dbraw/zinc/10/20/05/411102005.db2.gz MYNSAHVEZBPNPC-LLVKDONJSA-N 1 2 249.289 1.430 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000652059940 411102009 /nfs/dbraw/zinc/10/20/09/411102009.db2.gz MYNSAHVEZBPNPC-LLVKDONJSA-N 1 2 249.289 1.430 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCO[C@H]2C)c1 ZINC000652068785 411106893 /nfs/dbraw/zinc/10/68/93/411106893.db2.gz OZNJGGIUPUNFCT-ONGXEEELSA-N 1 2 222.288 1.817 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCCF)C1 ZINC000425508286 411178474 /nfs/dbraw/zinc/17/84/74/411178474.db2.gz GVTAICYFYPWTKF-UHFFFAOYSA-N 1 2 202.273 1.248 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCCF)C1 ZINC000425508286 411178477 /nfs/dbraw/zinc/17/84/77/411178477.db2.gz GVTAICYFYPWTKF-UHFFFAOYSA-N 1 2 202.273 1.248 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@@H](C)OC ZINC000656117212 411181765 /nfs/dbraw/zinc/18/17/65/411181765.db2.gz DWNYLBNWRGTTSV-MRVPVSSYSA-N 1 2 225.292 1.631 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C)C1 ZINC000656115292 411181799 /nfs/dbraw/zinc/18/17/99/411181799.db2.gz ZHDNDCLORGUFLY-MRVPVSSYSA-N 1 2 207.277 1.640 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@@H]1CCCO1 ZINC000656116889 411182162 /nfs/dbraw/zinc/18/21/62/411182162.db2.gz CLMKCNPILJMWOB-JTQLQIEISA-N 1 2 237.303 1.409 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)[C@@H](C)CO ZINC000656128487 411183876 /nfs/dbraw/zinc/18/38/76/411183876.db2.gz ULRHGZXYKWFXAV-YUMQZZPRSA-N 1 2 225.292 1.222 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CCC[C@@H]1O ZINC000656128828 411184081 /nfs/dbraw/zinc/18/40/81/411184081.db2.gz CNVHNVZDXBUPMP-ZJUUUORDSA-N 1 2 237.303 1.367 20 0 BDADLO CC[C@@H](CCO)Nc1nc[nH+]c(C)c1OC ZINC000656128696 411184257 /nfs/dbraw/zinc/18/42/57/411184257.db2.gz ZWBRAOYGDYSRJT-VIFPVBQESA-N 1 2 225.292 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)[C@@H](C)CO ZINC000656128485 411184357 /nfs/dbraw/zinc/18/43/57/411184357.db2.gz ULRHGZXYKWFXAV-JGVFFNPUSA-N 1 2 225.292 1.222 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@]1(C)OC(C)C ZINC000527797209 411243726 /nfs/dbraw/zinc/24/37/26/411243726.db2.gz AHOQKVGSXMVARQ-NEPJUHHUSA-N 1 2 223.320 1.764 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCc2c[nH]nc2C1 ZINC000656146857 411186435 /nfs/dbraw/zinc/18/64/35/411186435.db2.gz PBXDCTCAWPDVJM-NSHDSACASA-N 1 2 243.314 1.786 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@@H](C(C)C)C1 ZINC000656152830 411186629 /nfs/dbraw/zinc/18/66/29/411186629.db2.gz JCAQAYBQVOFTDD-GFCCVEGCSA-N 1 2 235.331 1.955 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC=C(C)CC1 ZINC000656151224 411186856 /nfs/dbraw/zinc/18/68/56/411186856.db2.gz LCGBMSXWHSWLHN-UHFFFAOYSA-N 1 2 219.288 1.950 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@](C)(O)C1 ZINC000656152217 411187486 /nfs/dbraw/zinc/18/74/86/411187486.db2.gz XEMVXOZRAIFJDP-GFCCVEGCSA-N 1 2 237.303 1.145 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+]CC(F)(F)CO)CS1 ZINC000655757691 411189103 /nfs/dbraw/zinc/18/91/03/411189103.db2.gz XMEMAYBBAIZUQV-JGVFFNPUSA-N 1 2 225.304 1.488 20 0 BDADLO COc1ccc(NCc2snnc2C)[nH+]c1 ZINC000309928080 411189828 /nfs/dbraw/zinc/18/98/28/411189828.db2.gz WIDGLPKPKPSNRE-UHFFFAOYSA-N 1 2 236.300 1.862 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)C[C@H](C)O ZINC000656156705 411190722 /nfs/dbraw/zinc/19/07/22/411190722.db2.gz RHNDOIXSVZPDIR-SFYZADRCSA-N 1 2 225.292 1.365 20 0 BDADLO COc1c(C)[nH+]cnc1NCCOC(C)C ZINC000656159303 411190756 /nfs/dbraw/zinc/19/07/56/411190756.db2.gz OCQHJSVRKOYTKT-UHFFFAOYSA-N 1 2 225.292 1.631 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CCCCO ZINC000656175841 411193738 /nfs/dbraw/zinc/19/37/38/411193738.db2.gz OYVQQPLMNDNAKR-UHFFFAOYSA-N 1 2 225.292 1.002 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@H](O)C(C)(C)C1 ZINC000656182682 411195768 /nfs/dbraw/zinc/19/57/68/411195768.db2.gz VRXRKBAVVQBVFY-VIFPVBQESA-N 1 2 237.303 1.001 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC1(O)CCC1 ZINC000656186506 411196313 /nfs/dbraw/zinc/19/63/13/411196313.db2.gz DMLPNSGALVSDJU-UHFFFAOYSA-N 1 2 237.303 1.511 20 0 BDADLO COc1c(C)[nH+]cnc1NCC(C)(F)F ZINC000656192361 411198445 /nfs/dbraw/zinc/19/84/45/411198445.db2.gz PZFDFGAVLNLGCG-UHFFFAOYSA-N 1 2 217.219 1.861 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](OC)C1CC1 ZINC000656192531 411198673 /nfs/dbraw/zinc/19/86/73/411198673.db2.gz ZLCKXGWPZDCOEE-SNVBAGLBSA-N 1 2 237.303 1.631 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548097163 411199738 /nfs/dbraw/zinc/19/97/38/411199738.db2.gz VJZFQDLXMXSKJH-DTORHVGOSA-N 1 2 221.304 1.727 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548097163 411199745 /nfs/dbraw/zinc/19/97/45/411199745.db2.gz VJZFQDLXMXSKJH-DTORHVGOSA-N 1 2 221.304 1.727 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C2CCC2)C1 ZINC000656201549 411205856 /nfs/dbraw/zinc/20/58/56/411205856.db2.gz KJQMJSTVPYCYEP-SNVBAGLBSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C2CCC2)C1 ZINC000656201549 411205859 /nfs/dbraw/zinc/20/58/59/411205859.db2.gz KJQMJSTVPYCYEP-SNVBAGLBSA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@@](C)(O)C1 ZINC000656201996 411206228 /nfs/dbraw/zinc/20/62/28/411206228.db2.gz YKMRQOOWSAJYHB-DKTWLAJQSA-N 1 2 223.276 1.119 20 0 BDADLO CON1CCC(Nc2nc(C)[nH+]cc2C)CC1 ZINC000656204955 411207284 /nfs/dbraw/zinc/20/72/84/411207284.db2.gz QUSUCRSGDPOVQF-UHFFFAOYSA-N 1 2 236.319 1.531 20 0 BDADLO CCc1cc(NCC2(COC)CC2)nc[nH+]1 ZINC000656213995 411211630 /nfs/dbraw/zinc/21/16/30/411211630.db2.gz LOHQCGAGZYTFEL-UHFFFAOYSA-N 1 2 221.304 1.878 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[C@H]3C)cn2c1 ZINC000048747826 411213815 /nfs/dbraw/zinc/21/38/15/411213815.db2.gz SSONDXIDLQAXRT-ZYHUDNBSSA-N 1 2 243.310 1.915 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C[C@@H](C)O)C2CC2)[nH+]1 ZINC000656229568 411215231 /nfs/dbraw/zinc/21/52/31/411215231.db2.gz AHTWQFHFBZYTKE-MRVPVSSYSA-N 1 2 246.314 1.616 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)Cn2cncn2)c1 ZINC000658044071 411216306 /nfs/dbraw/zinc/21/63/06/411216306.db2.gz MKQGZWLISPEOOY-SNVBAGLBSA-N 1 2 247.302 1.320 20 0 BDADLO Cc1cc(N(C[C@H](C)O)C2CC2)nc[nH+]1 ZINC000656229997 411216945 /nfs/dbraw/zinc/21/69/45/411216945.db2.gz JPLOOJJQZBFNAB-VIFPVBQESA-N 1 2 207.277 1.135 20 0 BDADLO CCCn1ncnc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000653902610 411217467 /nfs/dbraw/zinc/21/74/67/411217467.db2.gz XTDHZTILYVFDGF-JTQLQIEISA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653902610 411217469 /nfs/dbraw/zinc/21/74/69/411217469.db2.gz XTDHZTILYVFDGF-JTQLQIEISA-N 1 2 238.335 1.033 20 0 BDADLO CC1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000656258367 411219117 /nfs/dbraw/zinc/21/91/17/411219117.db2.gz QMFPTRFZJXZKFA-UHFFFAOYSA-N 1 2 205.305 1.671 20 0 BDADLO O=C(CCCC1CC1)NCc1[nH]cc[nH+]1 ZINC000643204837 411220577 /nfs/dbraw/zinc/22/05/77/411220577.db2.gz KULLEIXBJLNEJT-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CCn1cc(C[NH+]2CC3(CC3(F)F)C2)cn1 ZINC000656266202 411221217 /nfs/dbraw/zinc/22/12/17/411221217.db2.gz UDFXEHGLYGVDHA-UHFFFAOYSA-N 1 2 227.258 1.744 20 0 BDADLO Cc1ccc(COCc2[nH]cc[nH+]2)cn1 ZINC000655676399 411221735 /nfs/dbraw/zinc/22/17/35/411221735.db2.gz QJQLXWVDMXGDAA-UHFFFAOYSA-N 1 2 203.245 1.830 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@@H](C)c1nc(C)no1 ZINC000656277140 411227691 /nfs/dbraw/zinc/22/76/91/411227691.db2.gz AOUXUVILWALDAE-VIFPVBQESA-N 1 2 249.318 1.787 20 0 BDADLO Cc1n[nH]cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652410444 411232998 /nfs/dbraw/zinc/23/29/98/411232998.db2.gz KXOZNKQUWXAPBA-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000652411118 411233070 /nfs/dbraw/zinc/23/30/70/411233070.db2.gz DGZMDKJOSQPEEB-SECBINFHSA-N 1 2 237.303 1.188 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000653926343 411233645 /nfs/dbraw/zinc/23/36/45/411233645.db2.gz PNLHWFNRAYWEKF-GXTWGEPZSA-N 1 2 245.326 1.530 20 0 BDADLO CC(C)(NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1[nH]cc[nH+]1 ZINC000652412360 411233801 /nfs/dbraw/zinc/23/38/01/411233801.db2.gz ZRYAQYYBTUGYKI-AEJSXWLSSA-N 1 2 249.314 1.186 20 0 BDADLO CC(C)(NC(=O)CCC(F)F)c1[nH]cc[nH+]1 ZINC000652412622 411233839 /nfs/dbraw/zinc/23/38/39/411233839.db2.gz FFBQTIMVWIQFJT-UHFFFAOYSA-N 1 2 231.246 1.806 20 0 BDADLO CC(C)(NC(=O)[C@H]1CC12CC2)c1[nH]cc[nH+]1 ZINC000652413453 411234184 /nfs/dbraw/zinc/23/41/84/411234184.db2.gz BFRWIGNPDLNVDW-MRVPVSSYSA-N 1 2 219.288 1.561 20 0 BDADLO Cn1cc[nH+]c1-c1ccc2c(c1)CC[C@@H](O)C2 ZINC000656371763 411238577 /nfs/dbraw/zinc/23/85/77/411238577.db2.gz SGMANMAKWNNREQ-CYBMUJFWSA-N 1 2 228.295 1.937 20 0 BDADLO Nc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000660118846 411238985 /nfs/dbraw/zinc/23/89/85/411238985.db2.gz HMVOQXJCGZFKFU-UHFFFAOYSA-N 1 2 228.299 1.550 20 0 BDADLO Nc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000660118846 411238989 /nfs/dbraw/zinc/23/89/89/411238989.db2.gz HMVOQXJCGZFKFU-UHFFFAOYSA-N 1 2 228.299 1.550 20 0 BDADLO Nc1cccc(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000660118846 411238993 /nfs/dbraw/zinc/23/89/93/411238993.db2.gz HMVOQXJCGZFKFU-UHFFFAOYSA-N 1 2 228.299 1.550 20 0 BDADLO Nc1cccc(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000660118846 411238995 /nfs/dbraw/zinc/23/89/95/411238995.db2.gz HMVOQXJCGZFKFU-UHFFFAOYSA-N 1 2 228.299 1.550 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(COC)[nH]1)[C@H]1C[C@@H]1C ZINC000658155899 411270037 /nfs/dbraw/zinc/27/00/37/411270037.db2.gz DTNLUIAEHNNYMK-GUBZILKMSA-N 1 2 238.335 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCCC2(C)C)[nH]1 ZINC000658158143 411271487 /nfs/dbraw/zinc/27/14/87/411271487.db2.gz GEXUIXVFZQIHAT-SECBINFHSA-N 1 2 238.335 1.619 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000656453352 411275789 /nfs/dbraw/zinc/27/57/89/411275789.db2.gz UMMSNWUVSVMBLU-GJMOJQLCSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000656453352 411275794 /nfs/dbraw/zinc/27/57/94/411275794.db2.gz UMMSNWUVSVMBLU-GJMOJQLCSA-N 1 2 227.226 1.019 20 0 BDADLO CC[C@H](NC(=O)c1ccccc1O)c1[nH]cc[nH+]1 ZINC000139748603 411281492 /nfs/dbraw/zinc/28/14/92/411281492.db2.gz CNHFZRLGLCSYSZ-JTQLQIEISA-N 1 2 245.282 1.996 20 0 BDADLO Cc1c[nH+]cc(N[C@H](C)Cn2cncn2)c1 ZINC000653464256 411281635 /nfs/dbraw/zinc/28/16/35/411281635.db2.gz RJIIFDNKJPTQPM-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000514623413 411283647 /nfs/dbraw/zinc/28/36/47/411283647.db2.gz JINWZJPOGUADKQ-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000514623413 411283650 /nfs/dbraw/zinc/28/36/50/411283650.db2.gz JINWZJPOGUADKQ-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO FC(F)(F)CC1C[NH+](Cc2cc[nH]n2)C1 ZINC000656686618 411329442 /nfs/dbraw/zinc/32/94/42/411329442.db2.gz QUTQVOVRXKRGGN-UHFFFAOYSA-N 1 2 219.210 1.794 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC(C)(C)C2)c(C)o1 ZINC000659812709 411299937 /nfs/dbraw/zinc/29/99/37/411299937.db2.gz MYRCVLLLFFSQAN-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCOC(C)(C)C2)c(C)o1 ZINC000659812709 411299940 /nfs/dbraw/zinc/29/99/40/411299940.db2.gz MYRCVLLLFFSQAN-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@H]1CCC[C@@H](O)C1)CC2 ZINC000660240414 411303535 /nfs/dbraw/zinc/30/35/35/411303535.db2.gz CXTDLCJCPPNMJC-QWHCGFSZSA-N 1 2 249.358 1.558 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@H]1CCC[C@@H](O)C1)CC2 ZINC000660240414 411303541 /nfs/dbraw/zinc/30/35/41/411303541.db2.gz CXTDLCJCPPNMJC-QWHCGFSZSA-N 1 2 249.358 1.558 20 0 BDADLO Cc1[nH+]c2ccccc2n1C[C@]1(O)CCCOC1 ZINC000656692324 411331740 /nfs/dbraw/zinc/33/17/40/411331740.db2.gz SCBQHJDDWLXPCF-CQSZACIVSA-N 1 2 246.310 1.886 20 0 BDADLO Cc1nc(N2CCC[C@H]2CCC(C)C)nc(N)[nH+]1 ZINC000631170920 411319857 /nfs/dbraw/zinc/31/98/57/411319857.db2.gz SAFOEXQQIXVWOC-NSHDSACASA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H]2CCC(C)C)[nH+]1 ZINC000631170920 411319860 /nfs/dbraw/zinc/31/98/60/411319860.db2.gz SAFOEXQQIXVWOC-NSHDSACASA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)o1 ZINC000656682409 411321438 /nfs/dbraw/zinc/32/14/38/411321438.db2.gz CXKURFYLTYZRAS-POYBYMJQSA-N 1 2 247.245 1.453 20 0 BDADLO Fc1ccccc1-n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656431681 411249851 /nfs/dbraw/zinc/24/98/51/411249851.db2.gz HPQRDGDIDDOPRN-LLVKDONJSA-N 1 2 248.261 1.067 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CC[C@@H](C)SC2 ZINC000653476512 411326420 /nfs/dbraw/zinc/32/64/20/411326420.db2.gz IRQYCKLHBCVRAF-SKDRFNHKSA-N 1 2 242.388 1.829 20 0 BDADLO c1cn2c([nH+]1)[C@@H](NCc1cscn1)CCC2 ZINC000655703792 411254461 /nfs/dbraw/zinc/25/44/61/411254461.db2.gz LKEJBYKGZHRIAO-JTQLQIEISA-N 1 2 234.328 1.964 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(N)s2)[C@H](C)CO1 ZINC000403732601 411357080 /nfs/dbraw/zinc/35/70/80/411357080.db2.gz BBXUCRUMPZLDAT-RKDXNWHRSA-N 1 2 241.360 1.555 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(N)s2)[C@H](C)CO1 ZINC000403732601 411357083 /nfs/dbraw/zinc/35/70/83/411357083.db2.gz BBXUCRUMPZLDAT-RKDXNWHRSA-N 1 2 241.360 1.555 20 0 BDADLO FC(F)n1ccnc1C[N@@H+]1CCC2(COC2)C1 ZINC000662075473 411358139 /nfs/dbraw/zinc/35/81/39/411358139.db2.gz AABVBMBSQODMRY-UHFFFAOYSA-N 1 2 243.257 1.501 20 0 BDADLO FC(F)n1ccnc1C[N@H+]1CCC2(COC2)C1 ZINC000662075473 411358144 /nfs/dbraw/zinc/35/81/44/411358144.db2.gz AABVBMBSQODMRY-UHFFFAOYSA-N 1 2 243.257 1.501 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)no1 ZINC000662145602 411368217 /nfs/dbraw/zinc/36/82/17/411368217.db2.gz YICQQLCYYBDBDW-HOTUBEGUSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H](C)[C@@](C)(CO)C2)no1 ZINC000662145602 411368221 /nfs/dbraw/zinc/36/82/21/411368221.db2.gz YICQQLCYYBDBDW-HOTUBEGUSA-N 1 2 239.319 1.389 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCOC)n1 ZINC000120508241 411334161 /nfs/dbraw/zinc/33/41/61/411334161.db2.gz JEDMBGFMQWZUMK-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCOC)n1 ZINC000120508241 411334165 /nfs/dbraw/zinc/33/41/65/411334165.db2.gz JEDMBGFMQWZUMK-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661967938 411335370 /nfs/dbraw/zinc/33/53/70/411335370.db2.gz RXWZFHVCGAZHBU-NXEZZACHSA-N 1 2 234.347 1.944 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661967938 411335371 /nfs/dbraw/zinc/33/53/71/411335371.db2.gz RXWZFHVCGAZHBU-NXEZZACHSA-N 1 2 234.347 1.944 20 0 BDADLO c1[nH+]cn2c1CN(Cc1cc3n(n1)CCC3)CC2 ZINC000660585475 411340023 /nfs/dbraw/zinc/34/00/23/411340023.db2.gz ZTRRDACXKPYVFA-UHFFFAOYSA-N 1 2 243.314 1.042 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000658335731 411343508 /nfs/dbraw/zinc/34/35/08/411343508.db2.gz FTPRUGVEOUKYSI-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(C2CC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000335200352 168015112 /nfs/dbraw/zinc/01/51/12/168015112.db2.gz VTNXWXOWIAKCKY-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nccn2C)nn1C ZINC000658338761 411346603 /nfs/dbraw/zinc/34/66/03/411346603.db2.gz KUPSOWFCTZJMFV-QWRGUYRKSA-N 1 2 247.346 1.874 20 0 BDADLO Cc1cc([C@H](C)N[C@@H](C)c2[nH+]ccn2C)nn1C ZINC000658338761 411346607 /nfs/dbraw/zinc/34/66/07/411346607.db2.gz KUPSOWFCTZJMFV-QWRGUYRKSA-N 1 2 247.346 1.874 20 0 BDADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000284379128 168028544 /nfs/dbraw/zinc/02/85/44/168028544.db2.gz LVZGWWYQZNNWKE-ONEGZZNKSA-N 1 2 219.288 1.729 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000364235298 168035165 /nfs/dbraw/zinc/03/51/65/168035165.db2.gz PSQOJFXBJVGOSA-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CC1(NC(=O)Cc2cn3ccccc3[nH+]2)CCC1 ZINC000125504413 168056883 /nfs/dbraw/zinc/05/68/83/168056883.db2.gz YDHMMYAOCKHVAM-UHFFFAOYSA-N 1 2 243.310 1.936 20 0 BDADLO CC1=C(C(=O)N2CCn3c[nH+]cc3C2)CCCO1 ZINC000290967117 168076118 /nfs/dbraw/zinc/07/61/18/168076118.db2.gz SLJDVLQQUVYMNB-UHFFFAOYSA-N 1 2 247.298 1.310 20 0 BDADLO CC1=C(C(=O)NCc2[nH]cc[nH+]2)CCCO1 ZINC000133593663 168078052 /nfs/dbraw/zinc/07/80/52/168078052.db2.gz YURDSCSOOMVTLW-UHFFFAOYSA-N 1 2 221.260 1.110 20 0 BDADLO CC1=CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000281584266 168099303 /nfs/dbraw/zinc/09/93/03/168099303.db2.gz GHCHIRYEAFZXBU-UHFFFAOYSA-N 1 2 224.283 1.400 20 0 BDADLO CC1=CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000281584266 168099306 /nfs/dbraw/zinc/09/93/06/168099306.db2.gz GHCHIRYEAFZXBU-UHFFFAOYSA-N 1 2 224.283 1.400 20 0 BDADLO Cc1c[nH]nc1CNCC[N@H+]1CC=C(C)CC1 ZINC000352935759 168111843 /nfs/dbraw/zinc/11/18/43/168111843.db2.gz IMMUYTQHZSVHFR-UHFFFAOYSA-N 1 2 234.347 1.460 20 0 BDADLO Cc1c[nH]nc1CNCC[N@@H+]1CC=C(C)CC1 ZINC000352935759 168111844 /nfs/dbraw/zinc/11/18/44/168111844.db2.gz IMMUYTQHZSVHFR-UHFFFAOYSA-N 1 2 234.347 1.460 20 0 BDADLO Cc1cnc(C[N@H+]2CC=C(C)CC2)nc1 ZINC000336556183 168114711 /nfs/dbraw/zinc/11/47/11/168114711.db2.gz WUGIOZOAKMNKSB-UHFFFAOYSA-N 1 2 203.289 1.937 20 0 BDADLO Cc1cnc(C[N@@H+]2CC=C(C)CC2)nc1 ZINC000336556183 168114712 /nfs/dbraw/zinc/11/47/12/168114712.db2.gz WUGIOZOAKMNKSB-UHFFFAOYSA-N 1 2 203.289 1.937 20 0 BDADLO CCC(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000190329561 168199689 /nfs/dbraw/zinc/19/96/89/168199689.db2.gz XUEKFPWBJOLNME-UHFFFAOYSA-N 1 2 243.738 1.875 20 0 BDADLO CCC(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000190329561 168199690 /nfs/dbraw/zinc/19/96/90/168199690.db2.gz XUEKFPWBJOLNME-UHFFFAOYSA-N 1 2 243.738 1.875 20 0 BDADLO CCC(=O)CC[N@H+](CC(N)=O)Cc1ccccc1 ZINC000190229763 168200374 /nfs/dbraw/zinc/20/03/74/168200374.db2.gz RQICGFYXLRNAPO-UHFFFAOYSA-N 1 2 248.326 1.343 20 0 BDADLO CCC(=O)CC[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000190229763 168200375 /nfs/dbraw/zinc/20/03/75/168200375.db2.gz RQICGFYXLRNAPO-UHFFFAOYSA-N 1 2 248.326 1.343 20 0 BDADLO CCC(=O)CC[N@H+](C)Cc1cscn1 ZINC000190199517 168200538 /nfs/dbraw/zinc/20/05/38/168200538.db2.gz LSRSNAVSLDDDLF-UHFFFAOYSA-N 1 2 212.318 1.944 20 0 BDADLO CCC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000190199517 168200541 /nfs/dbraw/zinc/20/05/41/168200541.db2.gz LSRSNAVSLDDDLF-UHFFFAOYSA-N 1 2 212.318 1.944 20 0 BDADLO CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120464984 168224592 /nfs/dbraw/zinc/22/45/92/168224592.db2.gz NOQLDIVEIAJKQH-LLVKDONJSA-N 1 2 220.272 1.471 20 0 BDADLO CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152861722 168237435 /nfs/dbraw/zinc/23/74/35/168237435.db2.gz NUCLAZRWIZDOTI-SNVBAGLBSA-N 1 2 219.288 1.187 20 0 BDADLO CCC(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377444810 168246851 /nfs/dbraw/zinc/24/68/51/168246851.db2.gz DHVWWAGUMAEJTL-UHFFFAOYSA-N 1 2 217.232 1.011 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000659933576 411386283 /nfs/dbraw/zinc/38/62/83/411386283.db2.gz HMBZPHIFLQTQKR-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000659933576 411386286 /nfs/dbraw/zinc/38/62/86/411386286.db2.gz HMBZPHIFLQTQKR-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO CCC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000277370155 168277963 /nfs/dbraw/zinc/27/79/63/168277963.db2.gz BUXNWRLSMTVXHM-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363078474 168295354 /nfs/dbraw/zinc/29/53/54/168295354.db2.gz SVVCVPUNPTXPPA-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO CCC(C)(CC)NC(=O)NCc1c[nH+]cn1C ZINC000360296264 168308241 /nfs/dbraw/zinc/30/82/41/168308241.db2.gz OPIJUYHNEWVVBF-UHFFFAOYSA-N 1 2 238.335 1.798 20 0 BDADLO CCC(C)(CC)NC(=O)NCCn1cc[nH+]c1 ZINC000120989857 168308620 /nfs/dbraw/zinc/30/86/20/168308620.db2.gz VLUKREKJTGRKBT-UHFFFAOYSA-N 1 2 238.335 1.761 20 0 BDADLO COc1cc(C[N@@H+]2CCOC(C)(C)C2)sn1 ZINC000659812771 411460776 /nfs/dbraw/zinc/46/07/76/411460776.db2.gz NTOAHUKHOWYZJX-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO COc1cc(C[N@H+]2CCOC(C)(C)C2)sn1 ZINC000659812771 411460778 /nfs/dbraw/zinc/46/07/78/411460778.db2.gz NTOAHUKHOWYZJX-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](F)C1 ZINC000653013460 411395068 /nfs/dbraw/zinc/39/50/68/411395068.db2.gz VLERIOIBSMLCSA-SNVBAGLBSA-N 1 2 225.267 1.234 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654434036 411396286 /nfs/dbraw/zinc/39/62/86/411396286.db2.gz HWCZPQOMUYBLNO-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654434036 411396288 /nfs/dbraw/zinc/39/62/88/411396288.db2.gz HWCZPQOMUYBLNO-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccon2)o1 ZINC000055371376 411397887 /nfs/dbraw/zinc/39/78/87/411397887.db2.gz KEZYFSJPZUEVPY-UHFFFAOYSA-N 1 2 249.270 1.647 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccon2)o1 ZINC000055371376 411397889 /nfs/dbraw/zinc/39/78/89/411397889.db2.gz KEZYFSJPZUEVPY-UHFFFAOYSA-N 1 2 249.270 1.647 20 0 BDADLO Cc1cccnc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654522011 411408343 /nfs/dbraw/zinc/40/83/43/411408343.db2.gz CZEKTPCYSXGQAO-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO Cc1cccnc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654522011 411408345 /nfs/dbraw/zinc/40/83/45/411408345.db2.gz CZEKTPCYSXGQAO-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000653564580 411422597 /nfs/dbraw/zinc/42/25/97/411422597.db2.gz CMACPDMTDJHXSR-ZJUUUORDSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000653564580 411422598 /nfs/dbraw/zinc/42/25/98/411422598.db2.gz CMACPDMTDJHXSR-ZJUUUORDSA-N 1 2 237.351 1.658 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000653568051 411423401 /nfs/dbraw/zinc/42/34/01/411423401.db2.gz JLGKXFVYRHLZHM-PHIMTYICSA-N 1 2 249.362 1.660 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000653568051 411423403 /nfs/dbraw/zinc/42/34/03/411423403.db2.gz JLGKXFVYRHLZHM-PHIMTYICSA-N 1 2 249.362 1.660 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2nccn2C)c1 ZINC000272749195 411435018 /nfs/dbraw/zinc/43/50/18/411435018.db2.gz JNYADMRSBSTPEC-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2nccn2C)c1 ZINC000272749195 411435020 /nfs/dbraw/zinc/43/50/20/411435020.db2.gz JNYADMRSBSTPEC-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO CN(Cc1ccn(C)c1)Cc1[nH+]ccn1C ZINC000272749195 411435023 /nfs/dbraw/zinc/43/50/23/411435023.db2.gz JNYADMRSBSTPEC-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO Cc1c[nH]c(CNCc2cc(C)on2)[nH+]1 ZINC000657329928 411467797 /nfs/dbraw/zinc/46/77/97/411467797.db2.gz PJEASQFMPPDRPI-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2COC(C)(C)C2)no1 ZINC000659837705 411471188 /nfs/dbraw/zinc/47/11/88/411471188.db2.gz HUYLZPNHWRNBEZ-NSHDSACASA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2COC(C)(C)C2)no1 ZINC000659837705 411471190 /nfs/dbraw/zinc/47/11/90/411471190.db2.gz HUYLZPNHWRNBEZ-NSHDSACASA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1F ZINC000654986604 411471564 /nfs/dbraw/zinc/47/15/64/411471564.db2.gz MQTCGMLSGSNIIK-QWRGUYRKSA-N 1 2 242.338 1.535 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2c(C)nn(C)c2C)n1 ZINC000657340655 411473051 /nfs/dbraw/zinc/47/30/51/411473051.db2.gz UAZYXYFVZZPWNH-UHFFFAOYSA-N 1 2 233.319 1.358 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cncnc1 ZINC000655002609 411473659 /nfs/dbraw/zinc/47/36/59/411473659.db2.gz NARQQIRWMOAMRV-MRVPVSSYSA-N 1 2 231.259 1.017 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cncnc1 ZINC000655002609 411473660 /nfs/dbraw/zinc/47/36/60/411473660.db2.gz NARQQIRWMOAMRV-MRVPVSSYSA-N 1 2 231.259 1.017 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc[nH]n1 ZINC000657353721 411474115 /nfs/dbraw/zinc/47/41/15/411474115.db2.gz JVGRXBZMJMTKCM-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc3n(n2)CCC3)[nH]n1 ZINC000657368713 411480539 /nfs/dbraw/zinc/48/05/39/411480539.db2.gz RRMBFROGFRWQPQ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CC1(C)C[C@@H](N2CCn3cc[nH+]c3C2)CO1 ZINC000659867023 411482850 /nfs/dbraw/zinc/48/28/50/411482850.db2.gz RJFABNUURBQFPV-SNVBAGLBSA-N 1 2 221.304 1.266 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)co1 ZINC000659899097 411491299 /nfs/dbraw/zinc/49/12/99/411491299.db2.gz INEKITBSPWVFCC-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](n3cncn3)C2)co1 ZINC000659899097 411491300 /nfs/dbraw/zinc/49/13/00/411491300.db2.gz INEKITBSPWVFCC-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@]1(C)CC1(F)F ZINC000655126394 411500040 /nfs/dbraw/zinc/50/00/40/411500040.db2.gz NSKQSZUMHBDKMB-JTQLQIEISA-N 1 2 243.257 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C ZINC000655126601 411500091 /nfs/dbraw/zinc/50/00/91/411500091.db2.gz ILVNVKVIWPTIMP-DTWKUNHWSA-N 1 2 207.277 1.175 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](CO)CC(F)(F)F)n1 ZINC000657419469 411500502 /nfs/dbraw/zinc/50/05/02/411500502.db2.gz SHAJNVINAXMWPT-ZETCQYMHSA-N 1 2 237.225 1.121 20 0 BDADLO Cn1cnc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000659931729 411501778 /nfs/dbraw/zinc/50/17/78/411501778.db2.gz RRLMWOFCBPQKMR-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO Cn1cnc(C[N@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000659931729 411501781 /nfs/dbraw/zinc/50/17/81/411501781.db2.gz RRLMWOFCBPQKMR-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO CCc1nn(C)cc1NCc1[nH]cc(C)[nH+]1 ZINC000657426751 411503957 /nfs/dbraw/zinc/50/39/57/411503957.db2.gz KBISOTZWISGWHS-UHFFFAOYSA-N 1 2 219.292 1.626 20 0 BDADLO CC(C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655795520 411515970 /nfs/dbraw/zinc/51/59/70/411515970.db2.gz CXRPWPLVCULYPJ-QMMMGPOBSA-N 1 2 210.281 1.154 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000657327982 411466299 /nfs/dbraw/zinc/46/62/99/411466299.db2.gz PGTMEVOWXVQLCS-GXTWGEPZSA-N 1 2 243.310 1.466 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCCCOC)[C@@H](C)C1 ZINC000309672507 170035321 /nfs/dbraw/zinc/03/53/21/170035321.db2.gz WOTULXUYEQTFLG-STQMWFEESA-N 1 2 228.380 1.733 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2nccnc2C)[C@@H](C)C1 ZINC000339531814 170036236 /nfs/dbraw/zinc/03/62/36/170036236.db2.gz RVPVBZAYPPRJNS-FZMZJTMJSA-N 1 2 248.374 1.257 20 0 BDADLO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cocn1 ZINC000657527771 411541160 /nfs/dbraw/zinc/54/11/60/411541160.db2.gz YOTIIZDYAACZBE-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO Cc1cn[nH]c1CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527696 411541480 /nfs/dbraw/zinc/54/14/80/411541480.db2.gz XNSDOTPITKEVQA-NSHDSACASA-N 1 2 236.363 1.681 20 0 BDADLO Cc1cn[nH]c1CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527696 411541481 /nfs/dbraw/zinc/54/14/81/411541481.db2.gz XNSDOTPITKEVQA-NSHDSACASA-N 1 2 236.363 1.681 20 0 BDADLO CCNC(=O)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000330788205 170048428 /nfs/dbraw/zinc/04/84/28/170048428.db2.gz YGGBZZSCZCINHQ-UHFFFAOYSA-N 1 2 235.287 1.163 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000042977833 170055236 /nfs/dbraw/zinc/05/52/36/170055236.db2.gz JHYRZPYNEILLNF-UHFFFAOYSA-N 1 2 240.734 1.908 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000042977833 170055237 /nfs/dbraw/zinc/05/52/37/170055237.db2.gz JHYRZPYNEILLNF-UHFFFAOYSA-N 1 2 240.734 1.908 20 0 BDADLO CCNC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000127795928 170055648 /nfs/dbraw/zinc/05/56/48/170055648.db2.gz SEEIKWASIWRPRN-SNVBAGLBSA-N 1 2 236.315 1.941 20 0 BDADLO CCNC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000127795928 170055650 /nfs/dbraw/zinc/05/56/50/170055650.db2.gz SEEIKWASIWRPRN-SNVBAGLBSA-N 1 2 236.315 1.941 20 0 BDADLO CCNC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000298440755 170058953 /nfs/dbraw/zinc/05/89/53/170058953.db2.gz GXYYRAASTZMUSW-UHFFFAOYSA-N 1 2 245.326 1.307 20 0 BDADLO CCNC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000298440755 170058954 /nfs/dbraw/zinc/05/89/54/170058954.db2.gz GXYYRAASTZMUSW-UHFFFAOYSA-N 1 2 245.326 1.307 20 0 BDADLO CCNC(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339771303 170060058 /nfs/dbraw/zinc/06/00/58/170060058.db2.gz BOTWQQOTOGBCKR-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCNC(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339771303 170060059 /nfs/dbraw/zinc/06/00/59/170060059.db2.gz BOTWQQOTOGBCKR-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3n[nH]cc3C2)nc(C)n1 ZINC000660136048 411542918 /nfs/dbraw/zinc/54/29/18/411542918.db2.gz HICSRWUQKLCLAR-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cc1cc(C[N@H+]2CCc3n[nH]cc3C2)nc(C)n1 ZINC000660136048 411542920 /nfs/dbraw/zinc/54/29/20/411542920.db2.gz HICSRWUQKLCLAR-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000660132249 411543135 /nfs/dbraw/zinc/54/31/35/411543135.db2.gz HUWLLWCPWOHIIA-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)CCO1 ZINC000660132249 411543136 /nfs/dbraw/zinc/54/31/36/411543136.db2.gz HUWLLWCPWOHIIA-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000036915649 170088610 /nfs/dbraw/zinc/08/86/10/170088610.db2.gz MZFQVOGFSNCQLV-JGVFFNPUSA-N 1 2 241.360 1.627 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000036915652 170096279 /nfs/dbraw/zinc/09/62/79/170096279.db2.gz MZFQVOGFSNCQLV-SFYZADRCSA-N 1 2 241.360 1.627 20 0 BDADLO CCN(CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660103463 411537079 /nfs/dbraw/zinc/53/70/79/411537079.db2.gz CSIGFPRTTMPPGK-VIFPVBQESA-N 1 2 224.308 1.533 20 0 BDADLO CCn1ccc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000556844591 322928730 /nfs/dbraw/zinc/92/87/30/322928730.db2.gz QIESVPKQMFTSOR-UHFFFAOYSA-N 1 2 243.314 1.604 20 0 BDADLO CC[C@@H](COCC1CC1)[NH2+]Cc1ccn[nH]1 ZINC000657563103 411552390 /nfs/dbraw/zinc/55/23/90/411552390.db2.gz ZSPSYGHZPYZSQF-NSHDSACASA-N 1 2 223.320 1.705 20 0 BDADLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)o1 ZINC000657569551 411553587 /nfs/dbraw/zinc/55/35/87/411553587.db2.gz OZYLXUGKYLGXMS-GZMMTYOYSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)o1 ZINC000657569554 411553697 /nfs/dbraw/zinc/55/36/97/411553697.db2.gz OZYLXUGKYLGXMS-LDYMZIIASA-N 1 2 232.287 1.975 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn(C)cn2)C[C@H]1F ZINC000660219373 411555177 /nfs/dbraw/zinc/55/51/77/411555177.db2.gz CGIUQJNRUAHKLF-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn(C)cn2)C[C@H]1F ZINC000660219373 411555179 /nfs/dbraw/zinc/55/51/79/411555179.db2.gz CGIUQJNRUAHKLF-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CCN(Cc2cn(C)c[nH+]2)C[C@H]1F ZINC000660219373 411555181 /nfs/dbraw/zinc/55/51/81/411555181.db2.gz CGIUQJNRUAHKLF-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO CC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000083746817 170164131 /nfs/dbraw/zinc/16/41/31/170164131.db2.gz YXPPCAYQCDDWCL-SNVBAGLBSA-N 1 2 220.251 1.643 20 0 BDADLO COc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)on1 ZINC000660145998 411545789 /nfs/dbraw/zinc/54/57/89/411545789.db2.gz CKNVLRUVZHWKNP-UHFFFAOYSA-N 1 2 244.241 1.914 20 0 BDADLO CC[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280013181 170174232 /nfs/dbraw/zinc/17/42/32/170174232.db2.gz IZRDFKVPSBQPCY-UHFFFAOYSA-N 1 2 222.288 1.552 20 0 BDADLO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)on1 ZINC000660153376 411548402 /nfs/dbraw/zinc/54/84/02/411548402.db2.gz CIURCERZMRJEPZ-UHFFFAOYSA-N 1 2 238.287 1.438 20 0 BDADLO COc1cc(C[N@H+]2CCOC3(CCC3)C2)on1 ZINC000660153376 411548404 /nfs/dbraw/zinc/54/84/04/411548404.db2.gz CIURCERZMRJEPZ-UHFFFAOYSA-N 1 2 238.287 1.438 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCn1cc(C)cn1 ZINC000341879325 170186952 /nfs/dbraw/zinc/18/69/52/170186952.db2.gz XHLPIBRIGOREEA-UHFFFAOYSA-N 1 2 239.319 1.123 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOCC(C)C ZINC000309666536 170187081 /nfs/dbraw/zinc/18/70/81/170187081.db2.gz UJNYSPANDCDHHU-UHFFFAOYSA-N 1 2 231.336 1.590 20 0 BDADLO CCOC(=O)C1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000081386620 170190004 /nfs/dbraw/zinc/19/00/04/170190004.db2.gz VGDILBSOTZFAAG-UHFFFAOYSA-N 1 2 248.282 1.672 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H]2CCCO2)CCCC1 ZINC000037957512 170190294 /nfs/dbraw/zinc/19/02/94/170190294.db2.gz QFXPJTHHQWQTAG-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1ccon1 ZINC000265737085 170201199 /nfs/dbraw/zinc/20/11/99/170201199.db2.gz BETMCXDEMARALR-UHFFFAOYSA-N 1 2 226.276 1.450 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1ccon1 ZINC000265737085 170201200 /nfs/dbraw/zinc/20/12/00/170201200.db2.gz BETMCXDEMARALR-UHFFFAOYSA-N 1 2 226.276 1.450 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cccs1 ZINC000035124729 170214409 /nfs/dbraw/zinc/21/44/09/170214409.db2.gz RKCXQRVDORYADI-UHFFFAOYSA-N 1 2 213.302 1.743 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cccs1 ZINC000035124729 170214410 /nfs/dbraw/zinc/21/44/10/170214410.db2.gz RKCXQRVDORYADI-UHFFFAOYSA-N 1 2 213.302 1.743 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000042469192 170216719 /nfs/dbraw/zinc/21/67/19/170216719.db2.gz ZNKKVLLRWGPLQD-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000042469192 170216721 /nfs/dbraw/zinc/21/67/21/170216721.db2.gz ZNKKVLLRWGPLQD-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285444065 170219129 /nfs/dbraw/zinc/21/91/29/170219129.db2.gz XVHNRPZSGBKCCS-UHFFFAOYSA-N 1 2 235.283 1.932 20 0 BDADLO CCOC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285444065 170219130 /nfs/dbraw/zinc/21/91/30/170219130.db2.gz XVHNRPZSGBKCCS-UHFFFAOYSA-N 1 2 235.283 1.932 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125596909 170219285 /nfs/dbraw/zinc/21/92/85/170219285.db2.gz MBQSKWLSELDJER-GFCCVEGCSA-N 1 2 234.299 1.782 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125596909 170219287 /nfs/dbraw/zinc/21/92/87/170219287.db2.gz MBQSKWLSELDJER-GFCCVEGCSA-N 1 2 234.299 1.782 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000072980270 170220005 /nfs/dbraw/zinc/22/00/05/170220005.db2.gz XATLNOISJIFBQH-LBPRGKRZSA-N 1 2 236.315 1.725 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000072980270 170220007 /nfs/dbraw/zinc/22/00/07/170220007.db2.gz XATLNOISJIFBQH-LBPRGKRZSA-N 1 2 236.315 1.725 20 0 BDADLO CCOC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000322813724 170220503 /nfs/dbraw/zinc/22/05/03/170220503.db2.gz ZWOZHPOMVLVXRX-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO CCOC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000322813724 170220504 /nfs/dbraw/zinc/22/05/04/170220504.db2.gz ZWOZHPOMVLVXRX-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO CC(C)N1CC[N@@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000660235388 411557144 /nfs/dbraw/zinc/55/71/44/411557144.db2.gz PDUIMOAWINDVSS-NSHDSACASA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[N@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000660235388 411557146 /nfs/dbraw/zinc/55/71/46/411557146.db2.gz PDUIMOAWINDVSS-NSHDSACASA-N 1 2 240.347 1.107 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000043638631 170246703 /nfs/dbraw/zinc/24/67/03/170246703.db2.gz PMTXPHPHYNHPIA-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043638631 170246704 /nfs/dbraw/zinc/24/67/04/170246704.db2.gz PMTXPHPHYNHPIA-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@@H](CC)SCc1[nH+]ccn1C ZINC000158641997 170251224 /nfs/dbraw/zinc/25/12/24/170251224.db2.gz IJQYTLJYQSPDAO-SECBINFHSA-N 1 2 242.344 1.995 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1conc1C ZINC000352927889 170257956 /nfs/dbraw/zinc/25/79/56/170257956.db2.gz ZTDZBVIVBDLJLN-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1conc1C ZINC000352927889 170257959 /nfs/dbraw/zinc/25/79/59/170257959.db2.gz ZTDZBVIVBDLJLN-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000043638589 170265444 /nfs/dbraw/zinc/26/54/44/170265444.db2.gz DTFYFOWOTPWNJZ-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000043638589 170265445 /nfs/dbraw/zinc/26/54/45/170265445.db2.gz DTFYFOWOTPWNJZ-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043638723 170265611 /nfs/dbraw/zinc/26/56/11/170265611.db2.gz FPMHFIXRVCCQQG-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043638723 170265612 /nfs/dbraw/zinc/26/56/12/170265612.db2.gz FPMHFIXRVCCQQG-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cnccc1C ZINC000353629016 170265891 /nfs/dbraw/zinc/26/58/91/170265891.db2.gz VQNPAFJFPJYETC-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cnccc1C ZINC000353629016 170265892 /nfs/dbraw/zinc/26/58/92/170265892.db2.gz VQNPAFJFPJYETC-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000308489890 170267986 /nfs/dbraw/zinc/26/79/86/170267986.db2.gz QDTNPWFSIWBJGF-HRDYMLBCSA-N 1 2 217.334 1.279 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000302557568 170270839 /nfs/dbraw/zinc/27/08/39/170270839.db2.gz LYFHRDAPKFZHLA-ZJUUUORDSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000300622875 170272664 /nfs/dbraw/zinc/27/26/64/170272664.db2.gz CVINYQXZJQRTSY-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000122437640 170280105 /nfs/dbraw/zinc/28/01/05/170280105.db2.gz QRSUMRWVRFTPOO-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000122437640 170280106 /nfs/dbraw/zinc/28/01/06/170280106.db2.gz QRSUMRWVRFTPOO-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000353640424 170282238 /nfs/dbraw/zinc/28/22/38/170282238.db2.gz CLKIAJUYFKWZBW-MNOVXSKESA-N 1 2 234.299 1.717 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660340650 411571448 /nfs/dbraw/zinc/57/14/48/411571448.db2.gz MULOQMBMBBLXDW-DTWKUNHWSA-N 1 2 222.292 1.207 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660340650 411571451 /nfs/dbraw/zinc/57/14/51/411571451.db2.gz MULOQMBMBBLXDW-DTWKUNHWSA-N 1 2 222.292 1.207 20 0 BDADLO CCOC(=O)c1noc(C[NH+]2CCCCC2)n1 ZINC000314541790 170310212 /nfs/dbraw/zinc/31/02/12/170310212.db2.gz UEFMLVZVKUUPGV-UHFFFAOYSA-N 1 2 239.275 1.232 20 0 BDADLO CCOC1(C)CC[NH+](Cc2ncnn2C)CC1 ZINC000336685593 170318936 /nfs/dbraw/zinc/31/89/36/170318936.db2.gz GACCKTGQJNGLBI-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CCOC1CC(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290934527 170321675 /nfs/dbraw/zinc/32/16/75/170321675.db2.gz NFTDVUYPIXVWQJ-UHFFFAOYSA-N 1 2 249.314 1.040 20 0 BDADLO CCOC1CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000297739613 170334284 /nfs/dbraw/zinc/33/42/84/170334284.db2.gz KXOLPTCBGTVWBA-UHFFFAOYSA-N 1 2 235.287 1.643 20 0 BDADLO CCOCC(=O)NCCCNc1cccc[nH+]1 ZINC000136189468 170343589 /nfs/dbraw/zinc/34/35/89/170343589.db2.gz ZOZISFGALUSJRA-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO CCOCC(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000293967735 170353930 /nfs/dbraw/zinc/35/39/30/170353930.db2.gz UJXMVWLWFUXUOU-UHFFFAOYSA-N 1 2 225.292 1.263 20 0 BDADLO CCOCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000125318528 170362299 /nfs/dbraw/zinc/36/22/99/170362299.db2.gz KATWPQHSIOPKBZ-VIFPVBQESA-N 1 2 225.292 1.404 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)nc2)CCC1=O ZINC000660322974 411568533 /nfs/dbraw/zinc/56/85/33/411568533.db2.gz OUHZADFIKHVTSH-LLVKDONJSA-N 1 2 247.342 1.559 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CCC1=O ZINC000660322974 411568535 /nfs/dbraw/zinc/56/85/35/411568535.db2.gz OUHZADFIKHVTSH-LLVKDONJSA-N 1 2 247.342 1.559 20 0 BDADLO CCOCC[N@H+](C)CC(=O)c1cccn1C ZINC000087978556 170388396 /nfs/dbraw/zinc/38/83/96/170388396.db2.gz ZVSJMUOGVIVRKU-UHFFFAOYSA-N 1 2 224.304 1.176 20 0 BDADLO CCOCC[N@@H+](C)CC(=O)c1cccn1C ZINC000087978556 170388399 /nfs/dbraw/zinc/38/83/99/170388399.db2.gz ZVSJMUOGVIVRKU-UHFFFAOYSA-N 1 2 224.304 1.176 20 0 BDADLO CCOCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000271513158 170390892 /nfs/dbraw/zinc/39/08/92/170390892.db2.gz YZXUBYJNXNETAY-UHFFFAOYSA-N 1 2 221.304 1.827 20 0 BDADLO CCOCC[N@H+](CC)CC(=O)OC(C)(C)C ZINC000107679214 170394761 /nfs/dbraw/zinc/39/47/61/170394761.db2.gz CVQVNLAAZREEJN-UHFFFAOYSA-N 1 2 231.336 1.687 20 0 BDADLO CCOCC[N@@H+](CC)CC(=O)OC(C)(C)C ZINC000107679214 170394763 /nfs/dbraw/zinc/39/47/63/170394763.db2.gz CVQVNLAAZREEJN-UHFFFAOYSA-N 1 2 231.336 1.687 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n[nH]1 ZINC000621622748 411631718 /nfs/dbraw/zinc/63/17/18/411631718.db2.gz LSQCTEAAULFPHD-QMMMGPOBSA-N 1 2 245.286 1.185 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n[nH]1 ZINC000621622748 411631725 /nfs/dbraw/zinc/63/17/25/411631725.db2.gz LSQCTEAAULFPHD-QMMMGPOBSA-N 1 2 245.286 1.185 20 0 BDADLO CC[C@@H]1CN(c2cc(CO)cc[nH+]2)CCS1 ZINC000133147700 411633958 /nfs/dbraw/zinc/63/39/58/411633958.db2.gz TVOWPBLYQBCQEZ-LLVKDONJSA-N 1 2 238.356 1.906 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@@H](C3CCC3)C2)c1 ZINC000660797109 411634874 /nfs/dbraw/zinc/63/48/74/411634874.db2.gz LNCHSARJLGFKSH-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000660797109 411634877 /nfs/dbraw/zinc/63/48/77/411634877.db2.gz LNCHSARJLGFKSH-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000660797109 411634881 /nfs/dbraw/zinc/63/48/81/411634881.db2.gz LNCHSARJLGFKSH-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000660814865 411645123 /nfs/dbraw/zinc/64/51/23/411645123.db2.gz YBFXMDBOAAFUNE-NSHDSACASA-N 1 2 220.320 1.469 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000660814865 411645125 /nfs/dbraw/zinc/64/51/25/411645125.db2.gz YBFXMDBOAAFUNE-NSHDSACASA-N 1 2 220.320 1.469 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2[C@H](C)C[C@H]2C)[nH]1 ZINC000660443794 411585755 /nfs/dbraw/zinc/58/57/55/411585755.db2.gz AERFXLQZLSZJEY-HLTSFMKQSA-N 1 2 208.309 1.911 20 0 BDADLO O=C1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CN1C1CC1 ZINC000660443772 411585985 /nfs/dbraw/zinc/58/59/85/411585985.db2.gz JEIBCLITJBJWKW-GRYCIOLGSA-N 1 2 234.343 1.687 20 0 BDADLO O=C1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CN1C1CC1 ZINC000660443772 411585988 /nfs/dbraw/zinc/58/59/88/411585988.db2.gz JEIBCLITJBJWKW-GRYCIOLGSA-N 1 2 234.343 1.687 20 0 BDADLO CC(C)=CCC[N@H+](CCO)CC(F)F ZINC000660452313 411586891 /nfs/dbraw/zinc/58/68/91/411586891.db2.gz RWHYKLZUSVZYOF-UHFFFAOYSA-N 1 2 207.264 1.902 20 0 BDADLO CC(C)=CCC[N@@H+](CCO)CC(F)F ZINC000660452313 411586892 /nfs/dbraw/zinc/58/68/92/411586892.db2.gz RWHYKLZUSVZYOF-UHFFFAOYSA-N 1 2 207.264 1.902 20 0 BDADLO CC1=C(C)C[N@H+](CCc2cnn[nH]2)CC1 ZINC000660457712 411588158 /nfs/dbraw/zinc/58/81/58/411588158.db2.gz RQQRKOKJFBZHPQ-UHFFFAOYSA-N 1 2 206.293 1.389 20 0 BDADLO CC1=C(C)C[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660457712 411588160 /nfs/dbraw/zinc/58/81/60/411588160.db2.gz RQQRKOKJFBZHPQ-UHFFFAOYSA-N 1 2 206.293 1.389 20 0 BDADLO COC[C@@H](C[N@@H+]1CCCC[C@@H]1C(F)F)OC ZINC000660486276 411592948 /nfs/dbraw/zinc/59/29/48/411592948.db2.gz QCFOMPWHNQIQGS-NXEZZACHSA-N 1 2 237.290 1.767 20 0 BDADLO COC[C@@H](C[N@H+]1CCCC[C@@H]1C(F)F)OC ZINC000660486276 411592949 /nfs/dbraw/zinc/59/29/49/411592949.db2.gz QCFOMPWHNQIQGS-NXEZZACHSA-N 1 2 237.290 1.767 20 0 BDADLO FC1(F)C[C@H]1OCC[N@@H+]1CCOCC12CC2 ZINC000660488666 411593046 /nfs/dbraw/zinc/59/30/46/411593046.db2.gz ICEGLHOFVVMAIQ-SECBINFHSA-N 1 2 233.258 1.275 20 0 BDADLO FC1(F)C[C@H]1OCC[N@H+]1CCOCC12CC2 ZINC000660488666 411593048 /nfs/dbraw/zinc/59/30/48/411593048.db2.gz ICEGLHOFVVMAIQ-SECBINFHSA-N 1 2 233.258 1.275 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](OC(F)F)C2)co1 ZINC000660487261 411593291 /nfs/dbraw/zinc/59/32/91/411593291.db2.gz AHJLHGGOKWWEPU-VIFPVBQESA-N 1 2 232.230 1.797 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](OC(F)F)C2)co1 ZINC000660487261 411593292 /nfs/dbraw/zinc/59/32/92/411593292.db2.gz AHJLHGGOKWWEPU-VIFPVBQESA-N 1 2 232.230 1.797 20 0 BDADLO CC(C)n1ccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660577026 411603185 /nfs/dbraw/zinc/60/31/85/411603185.db2.gz DNMMAYQYLHJTMP-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)nc(C)n1 ZINC000660647357 411608624 /nfs/dbraw/zinc/60/86/24/411608624.db2.gz DGEPMZHHZVZGMC-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)nc(C)n1 ZINC000660647357 411608625 /nfs/dbraw/zinc/60/86/25/411608625.db2.gz DGEPMZHHZVZGMC-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)[nH]1 ZINC000660640968 411611109 /nfs/dbraw/zinc/61/11/09/411611109.db2.gz UCFZKIOQPUVVEY-VGMNWLOBSA-N 1 2 208.309 1.768 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)[nH]1 ZINC000660640968 411611110 /nfs/dbraw/zinc/61/11/10/411611110.db2.gz UCFZKIOQPUVVEY-VGMNWLOBSA-N 1 2 208.309 1.768 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CCc2cnn[nH]2)CCCO1 ZINC000660647446 411612885 /nfs/dbraw/zinc/61/28/85/411612885.db2.gz QUYZIIBNBLJZON-LBPRGKRZSA-N 1 2 238.335 1.094 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CCc2cnn[nH]2)CCCO1 ZINC000660647446 411612886 /nfs/dbraw/zinc/61/28/86/411612886.db2.gz QUYZIIBNBLJZON-LBPRGKRZSA-N 1 2 238.335 1.094 20 0 BDADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCF)n1 ZINC000660751107 411620540 /nfs/dbraw/zinc/62/05/40/411620540.db2.gz IZDRYIFSWSBJAA-UHFFFAOYSA-N 1 2 213.256 1.285 20 0 BDADLO OCCC[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000660761077 411621859 /nfs/dbraw/zinc/62/18/59/411621859.db2.gz WECXYLCADZNTGV-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OCCC[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000660761077 411621861 /nfs/dbraw/zinc/62/18/61/411621861.db2.gz WECXYLCADZNTGV-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO c1cn(CCNc2cc3c(nn2)CCC3)c[nH+]1 ZINC000621740661 411704314 /nfs/dbraw/zinc/70/43/14/411704314.db2.gz BSNUOXCYWIBSOR-UHFFFAOYSA-N 1 2 229.287 1.274 20 0 BDADLO Cc1cc(NCCCN2CCOC2=O)nc[nH+]1 ZINC000495709084 411647635 /nfs/dbraw/zinc/64/76/35/411647635.db2.gz YQLUELPYGCYZKX-UHFFFAOYSA-N 1 2 236.275 1.039 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2csnn2)C2(CCC2)C1 ZINC000660835278 411650505 /nfs/dbraw/zinc/65/05/05/411650505.db2.gz IEKXNGSMZIPLHB-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2csnn2)C2(CCC2)C1 ZINC000660835278 411650510 /nfs/dbraw/zinc/65/05/10/411650510.db2.gz IEKXNGSMZIPLHB-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO O[C@H]1CC[N@H+](Cc2csnn2)C2(CCC2)C1 ZINC000660835277 411650703 /nfs/dbraw/zinc/65/07/03/411650703.db2.gz IEKXNGSMZIPLHB-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2csnn2)C2(CCC2)C1 ZINC000660835277 411650706 /nfs/dbraw/zinc/65/07/06/411650706.db2.gz IEKXNGSMZIPLHB-JTQLQIEISA-N 1 2 239.344 1.418 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCC(F)(F)C1 ZINC000660841695 411652383 /nfs/dbraw/zinc/65/23/83/411652383.db2.gz IFTSCVMFVJSUKW-SSDOTTSWSA-N 1 2 247.245 1.642 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCC(F)(F)C1 ZINC000660841695 411652387 /nfs/dbraw/zinc/65/23/87/411652387.db2.gz IFTSCVMFVJSUKW-SSDOTTSWSA-N 1 2 247.245 1.642 20 0 BDADLO C[N@H+](CCC1CCOCC1)Cc1n[nH]c(=O)o1 ZINC000660841884 411653912 /nfs/dbraw/zinc/65/39/12/411653912.db2.gz JEWURCWITCTCNO-UHFFFAOYSA-N 1 2 241.291 1.024 20 0 BDADLO C[N@@H+](CCC1CCOCC1)Cc1n[nH]c(=O)o1 ZINC000660841884 411653915 /nfs/dbraw/zinc/65/39/15/411653915.db2.gz JEWURCWITCTCNO-UHFFFAOYSA-N 1 2 241.291 1.024 20 0 BDADLO C[N@H+](CCC[C@@H]1CCOC1)Cc1n[nH]c(=O)o1 ZINC000660843642 411654280 /nfs/dbraw/zinc/65/42/80/411654280.db2.gz GYPDFPDZURTNCS-SECBINFHSA-N 1 2 241.291 1.024 20 0 BDADLO C[N@@H+](CCC[C@@H]1CCOC1)Cc1n[nH]c(=O)o1 ZINC000660843642 411654285 /nfs/dbraw/zinc/65/42/85/411654285.db2.gz GYPDFPDZURTNCS-SECBINFHSA-N 1 2 241.291 1.024 20 0 BDADLO C[N@H+](CCOc1ccccc1)Cc1n[nH]c(=O)o1 ZINC000660851026 411655359 /nfs/dbraw/zinc/65/53/59/411655359.db2.gz UHQIQMSODNMPSU-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO C[N@@H+](CCOc1ccccc1)Cc1n[nH]c(=O)o1 ZINC000660851026 411655365 /nfs/dbraw/zinc/65/53/65/411655365.db2.gz UHQIQMSODNMPSU-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)c(C)n1 ZINC000660845214 411656254 /nfs/dbraw/zinc/65/62/54/411656254.db2.gz LPTTVHPQYFDZSO-UHFFFAOYSA-N 1 2 248.286 1.419 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)c(C)n1 ZINC000660845214 411656256 /nfs/dbraw/zinc/65/62/56/411656256.db2.gz LPTTVHPQYFDZSO-UHFFFAOYSA-N 1 2 248.286 1.419 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000660849458 411657023 /nfs/dbraw/zinc/65/70/23/411657023.db2.gz HORIZCFLPRIIAS-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000660849458 411657029 /nfs/dbraw/zinc/65/70/29/411657029.db2.gz HORIZCFLPRIIAS-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CCC1CCC1 ZINC000660924315 411675728 /nfs/dbraw/zinc/67/57/28/411675728.db2.gz ZMGRRAFLUUFSIH-CQSZACIVSA-N 1 2 249.358 1.984 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CCC1CCC1 ZINC000660924315 411675732 /nfs/dbraw/zinc/67/57/32/411675732.db2.gz ZMGRRAFLUUFSIH-CQSZACIVSA-N 1 2 249.358 1.984 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)on1 ZINC000660927597 411677557 /nfs/dbraw/zinc/67/75/57/411677557.db2.gz BMSUMRFOECZTKR-QWRGUYRKSA-N 1 2 249.314 1.796 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)on1 ZINC000660927597 411677560 /nfs/dbraw/zinc/67/75/60/411677560.db2.gz BMSUMRFOECZTKR-QWRGUYRKSA-N 1 2 249.314 1.796 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1CC(C)C1 ZINC000621354952 411678682 /nfs/dbraw/zinc/67/86/82/411678682.db2.gz ZSDKDZVEDFTKEQ-UHFFFAOYSA-N 1 2 222.292 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1CC(C)C1 ZINC000621354952 411678689 /nfs/dbraw/zinc/67/86/89/411678689.db2.gz ZSDKDZVEDFTKEQ-UHFFFAOYSA-N 1 2 222.292 1.525 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccc[nH]c1=O ZINC000624704206 411680019 /nfs/dbraw/zinc/68/00/19/411680019.db2.gz POSTXCXOTXYFFS-UHFFFAOYSA-N 1 2 246.270 1.506 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000092851288 170545954 /nfs/dbraw/zinc/54/59/54/170545954.db2.gz CRHZEAMXSODJBQ-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CN(C)c1noc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660931413 411681020 /nfs/dbraw/zinc/68/10/20/411681020.db2.gz MUESWWLLFNZXAJ-UWVGGRQHSA-N 1 2 236.319 1.510 20 0 BDADLO CN(C)c1noc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660931413 411681022 /nfs/dbraw/zinc/68/10/22/411681022.db2.gz MUESWWLLFNZXAJ-UWVGGRQHSA-N 1 2 236.319 1.510 20 0 BDADLO COc1cc(CNc2cc(C)[nH+]cn2)on1 ZINC000631370023 411687864 /nfs/dbraw/zinc/68/78/64/411687864.db2.gz WEIAOQRZOBCQET-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO CCc1nnc(CN(C)Cc2c[nH+]c[nH]2)s1 ZINC000661089097 411699711 /nfs/dbraw/zinc/69/97/11/411699711.db2.gz XMZJRCNUUNXNMR-UHFFFAOYSA-N 1 2 237.332 1.456 20 0 BDADLO CCc1nnc(CN(C)Cc2c[nH]c[nH+]2)s1 ZINC000661089097 411699714 /nfs/dbraw/zinc/69/97/14/411699714.db2.gz XMZJRCNUUNXNMR-UHFFFAOYSA-N 1 2 237.332 1.456 20 0 BDADLO CCCn1c(C)nnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661089265 411700664 /nfs/dbraw/zinc/70/06/64/411700664.db2.gz ZSZCQUHZEVQOFX-UHFFFAOYSA-N 1 2 248.334 1.352 20 0 BDADLO CCCn1c(C)nnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661089265 411700669 /nfs/dbraw/zinc/70/06/69/411700669.db2.gz ZSZCQUHZEVQOFX-UHFFFAOYSA-N 1 2 248.334 1.352 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(CO)cc1 ZINC000661089046 411700834 /nfs/dbraw/zinc/70/08/34/411700834.db2.gz VGCGLSITZYZXKL-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(CO)cc1 ZINC000661089046 411700838 /nfs/dbraw/zinc/70/08/38/411700838.db2.gz VGCGLSITZYZXKL-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(CO)cc1 ZINC000661089046 411700842 /nfs/dbraw/zinc/70/08/42/411700842.db2.gz VGCGLSITZYZXKL-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(CO)cc1 ZINC000661089046 411700844 /nfs/dbraw/zinc/70/08/44/411700844.db2.gz VGCGLSITZYZXKL-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2cnc[nH]2)O1 ZINC000661088445 411700906 /nfs/dbraw/zinc/70/09/06/411700906.db2.gz ICNIJBZAMXUBMX-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cnc[nH]2)O1 ZINC000661088445 411700911 /nfs/dbraw/zinc/70/09/11/411700911.db2.gz ICNIJBZAMXUBMX-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2c[nH]cn2)O1 ZINC000661088445 411700914 /nfs/dbraw/zinc/70/09/14/411700914.db2.gz ICNIJBZAMXUBMX-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2c[nH]cn2)O1 ZINC000661088445 411700917 /nfs/dbraw/zinc/70/09/17/411700917.db2.gz ICNIJBZAMXUBMX-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@]1(C2CC2)C[N@H+](Cc2ccon2)CCO1 ZINC000661172014 411728531 /nfs/dbraw/zinc/72/85/31/411728531.db2.gz RANVUMRUEIVGHN-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccon2)CCO1 ZINC000661172014 411728534 /nfs/dbraw/zinc/72/85/34/411728534.db2.gz RANVUMRUEIVGHN-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)o1 ZINC000661172090 411729182 /nfs/dbraw/zinc/72/91/82/411729182.db2.gz SDSJPXZJEGVPKP-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)o1 ZINC000661172090 411729184 /nfs/dbraw/zinc/72/91/84/411729184.db2.gz SDSJPXZJEGVPKP-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ccnn1C ZINC000517443627 411737278 /nfs/dbraw/zinc/73/72/78/411737278.db2.gz XOMWLXYRLUQNCC-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC1=CCCC1 ZINC000661262003 411744543 /nfs/dbraw/zinc/74/45/43/411744543.db2.gz OLISFRXBPJEQGM-UHFFFAOYSA-N 1 2 248.330 1.813 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCC2=CCCC2)c1 ZINC000661302809 411748881 /nfs/dbraw/zinc/74/88/81/411748881.db2.gz CGYDUESAFVFVRD-UHFFFAOYSA-N 1 2 248.330 1.372 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000131866099 170610973 /nfs/dbraw/zinc/61/09/73/170610973.db2.gz GGVXOYFOFAXISB-SNVBAGLBSA-N 1 2 242.344 1.625 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cc1ncnn1C)CC2 ZINC000661371081 411757761 /nfs/dbraw/zinc/75/77/61/411757761.db2.gz CIJBTSZNGQWHIK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cc1ncnn1C)CC2 ZINC000661371081 411757765 /nfs/dbraw/zinc/75/77/65/411757765.db2.gz CIJBTSZNGQWHIK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1[nH+]ccc2c(N)cccc21 ZINC000663841155 411760209 /nfs/dbraw/zinc/76/02/09/411760209.db2.gz AWKCWOIKSSYQPP-NXEZZACHSA-N 1 2 243.310 1.777 20 0 BDADLO CCc1cc(NC[C@@H]2CCN(C(C)=O)C2)nc[nH+]1 ZINC000663914331 411772868 /nfs/dbraw/zinc/77/28/68/411772868.db2.gz PGIIIUFLCLHWQD-NSHDSACASA-N 1 2 248.330 1.319 20 0 BDADLO CNC(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661432767 411773932 /nfs/dbraw/zinc/77/39/32/411773932.db2.gz DNQLXEMJDJUZMH-ZDUSSCGKSA-N 1 2 248.326 1.943 20 0 BDADLO CNC(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661432767 411773938 /nfs/dbraw/zinc/77/39/38/411773938.db2.gz DNQLXEMJDJUZMH-ZDUSSCGKSA-N 1 2 248.326 1.943 20 0 BDADLO Cc1cc(C)nc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000663918791 411775586 /nfs/dbraw/zinc/77/55/86/411775586.db2.gz DUVLRZCAIFWCPF-UHFFFAOYSA-N 1 2 229.287 1.379 20 0 BDADLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000661439506 411775849 /nfs/dbraw/zinc/77/58/49/411775849.db2.gz ZRKFWYBIYWYBHN-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(F)F ZINC000661439506 411775851 /nfs/dbraw/zinc/77/58/51/411775851.db2.gz ZRKFWYBIYWYBHN-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CCCc1ccc(N2CCn3c[nH+]cc3C2)nn1 ZINC000663920692 411777317 /nfs/dbraw/zinc/77/73/17/411777317.db2.gz HTWMQOBHZUSVMS-UHFFFAOYSA-N 1 2 243.314 1.646 20 0 BDADLO C[C@@H](Nc1cc2c(nn1)CCC2)c1[nH]cc[nH+]1 ZINC000663929138 411778235 /nfs/dbraw/zinc/77/82/35/411778235.db2.gz DCHGELSZLJOKGC-MRVPVSSYSA-N 1 2 229.287 1.862 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccn(C)n1 ZINC000661463886 411782629 /nfs/dbraw/zinc/78/26/29/411782629.db2.gz VTHGXNYUYMURMA-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccn(C)n1 ZINC000661463886 411782632 /nfs/dbraw/zinc/78/26/32/411782632.db2.gz VTHGXNYUYMURMA-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO Cc1nc(N2CC[C@H]2C(F)F)nc(N(C)C)[nH+]1 ZINC000663946384 411786110 /nfs/dbraw/zinc/78/61/10/411786110.db2.gz SVZHJAVIRNEFPI-ZETCQYMHSA-N 1 2 243.261 1.090 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H]2C(F)F)[nH+]1 ZINC000663946384 411786114 /nfs/dbraw/zinc/78/61/14/411786114.db2.gz SVZHJAVIRNEFPI-ZETCQYMHSA-N 1 2 243.261 1.090 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)n1 ZINC000661168993 411726640 /nfs/dbraw/zinc/72/66/40/411726640.db2.gz RHOOQQYSEOHBLZ-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)n1 ZINC000661168993 411726642 /nfs/dbraw/zinc/72/66/42/411726642.db2.gz RHOOQQYSEOHBLZ-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO COc1cc(C)nc(NCc2ccc[nH+]c2N)n1 ZINC000663961666 411791495 /nfs/dbraw/zinc/79/14/95/411791495.db2.gz GTDTVIFHELLCQR-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC(C)(C)O2)o1 ZINC000661529169 411795569 /nfs/dbraw/zinc/79/55/69/411795569.db2.gz PSOHTPVLEWKFJP-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC(C)(C)O2)o1 ZINC000661529169 411795573 /nfs/dbraw/zinc/79/55/73/411795573.db2.gz PSOHTPVLEWKFJP-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nnc(CN(C)Cc2[nH+]ccn2C(C)C)o1 ZINC000661529508 411796148 /nfs/dbraw/zinc/79/61/48/411796148.db2.gz FJEAMUWZORVBIM-UHFFFAOYSA-N 1 2 249.318 1.787 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccncc2)C[C@@H](C)C1=O ZINC000661551956 411800675 /nfs/dbraw/zinc/80/06/75/411800675.db2.gz XAYBYTRIRWITEY-GHMZBOCLSA-N 1 2 218.300 1.739 20 0 BDADLO CCn1ccc(NC(=O)CCc2c[nH+]cn2C)n1 ZINC000618042566 411805697 /nfs/dbraw/zinc/80/56/97/411805697.db2.gz BNCZMVDOFLKJKS-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@H](COC)OC ZINC000664020818 411816416 /nfs/dbraw/zinc/81/64/16/411816416.db2.gz VKMIPFTYOPFKFZ-NSHDSACASA-N 1 2 239.315 1.993 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H]2COCCO2)s1 ZINC000661610764 411816631 /nfs/dbraw/zinc/81/66/31/411816631.db2.gz GIKOCHVUAYZKBD-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H]2COCCO2)s1 ZINC000661610764 411816633 /nfs/dbraw/zinc/81/66/33/411816633.db2.gz GIKOCHVUAYZKBD-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO Cc1nc(N[C@H](CO)c2cccnc2)cc[nH+]1 ZINC000664023729 411817766 /nfs/dbraw/zinc/81/77/66/411817766.db2.gz AOZSBPIBNPYVLU-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO FC1(F)C[C@@H]1OCCOCc1[nH]cc[nH+]1 ZINC000664033197 411820625 /nfs/dbraw/zinc/82/06/25/411820625.db2.gz NEYJNMPTJHCUFS-ZETCQYMHSA-N 1 2 218.203 1.351 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)CC1=CCCOC1 ZINC000661653821 411830951 /nfs/dbraw/zinc/83/09/51/411830951.db2.gz UMWLOTTXXGCFSY-UHFFFAOYSA-N 1 2 247.342 1.608 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)CC1=CCCOC1 ZINC000661653821 411830953 /nfs/dbraw/zinc/83/09/53/411830953.db2.gz UMWLOTTXXGCFSY-UHFFFAOYSA-N 1 2 247.342 1.608 20 0 BDADLO Cn1ccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000620410993 411839526 /nfs/dbraw/zinc/83/95/26/411839526.db2.gz UNGZCMITJNCKGA-UHFFFAOYSA-N 1 2 233.275 1.036 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000661716459 411855910 /nfs/dbraw/zinc/85/59/10/411855910.db2.gz SEJFDJVCLLWYJA-JOYOIKCWSA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000661716459 411855911 /nfs/dbraw/zinc/85/59/11/411855911.db2.gz SEJFDJVCLLWYJA-JOYOIKCWSA-N 1 2 237.303 1.150 20 0 BDADLO FC(F)n1cc[nH+]c1Cn1cc(C2CC2)nn1 ZINC000664121382 411859413 /nfs/dbraw/zinc/85/94/13/411859413.db2.gz BZZGVNXDUJUIBT-UHFFFAOYSA-N 1 2 239.229 1.795 20 0 BDADLO CCOc1cc(N(C)Cc2c[nH+]c[nH]2)ncn1 ZINC000664126885 411862749 /nfs/dbraw/zinc/86/27/49/411862749.db2.gz LRNPKBUEBOBXCO-UHFFFAOYSA-N 1 2 233.275 1.235 20 0 BDADLO CCOc1cc(N(C)Cc2c[nH]c[nH+]2)ncn1 ZINC000664126885 411862754 /nfs/dbraw/zinc/86/27/54/411862754.db2.gz LRNPKBUEBOBXCO-UHFFFAOYSA-N 1 2 233.275 1.235 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@H]2CCC(C)(C)O2)nn1 ZINC000661744638 411863265 /nfs/dbraw/zinc/86/32/65/411863265.db2.gz KMUZTXSMYBKSGQ-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@H]2CCC(C)(C)O2)nn1 ZINC000661744638 411863268 /nfs/dbraw/zinc/86/32/68/411863268.db2.gz KMUZTXSMYBKSGQ-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)(C)c1nc(NC/C=C/CO)cc[nH+]1 ZINC000664238331 411894237 /nfs/dbraw/zinc/89/42/37/411894237.db2.gz XITHJSPRUNKAFM-SNAWJCMRSA-N 1 2 221.304 1.735 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)o1 ZINC000661858139 411905170 /nfs/dbraw/zinc/90/51/70/411905170.db2.gz YRCHLHMUMUWYLL-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)o1 ZINC000661858139 411905172 /nfs/dbraw/zinc/90/51/72/411905172.db2.gz YRCHLHMUMUWYLL-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1cc(NCCO[C@@H]2CC2(F)F)nc[nH+]1 ZINC000664310106 411919308 /nfs/dbraw/zinc/91/93/08/411919308.db2.gz ZIWDOEZRGVDVFC-MRVPVSSYSA-N 1 2 229.230 1.621 20 0 BDADLO C[C@@H]1CC[C@@H](Nc2cccc[nH+]2)CS1(=O)=O ZINC000664357314 411928989 /nfs/dbraw/zinc/92/89/89/411928989.db2.gz UJWFPOKURMSTMZ-NXEZZACHSA-N 1 2 240.328 1.459 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661977255 411932595 /nfs/dbraw/zinc/93/25/95/411932595.db2.gz XSLGFILPGNPGGX-IUCAKERBSA-N 1 2 207.277 1.474 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661977255 411932599 /nfs/dbraw/zinc/93/25/99/411932599.db2.gz XSLGFILPGNPGGX-IUCAKERBSA-N 1 2 207.277 1.474 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccn(C)n1 ZINC000661980296 411933705 /nfs/dbraw/zinc/93/37/05/411933705.db2.gz HMHBTDVJXLRFBH-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccn(C)n1 ZINC000661980296 411933709 /nfs/dbraw/zinc/93/37/09/411933709.db2.gz HMHBTDVJXLRFBH-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO c1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)n[nH]1 ZINC000661994053 411937827 /nfs/dbraw/zinc/93/78/27/411937827.db2.gz VBUPPQHSCDNQOH-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO c1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)n[nH]1 ZINC000661994053 411937830 /nfs/dbraw/zinc/93/78/30/411937830.db2.gz VBUPPQHSCDNQOH-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO COC[C@@H](CCNc1cc(C)[nH+]cn1)OC ZINC000664162568 411875977 /nfs/dbraw/zinc/87/59/77/411875977.db2.gz SRTCICZKXGBNAS-SNVBAGLBSA-N 1 2 225.292 1.248 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000661775235 411884103 /nfs/dbraw/zinc/88/41/03/411884103.db2.gz XXUPYDRYSFDQHJ-DTWKUNHWSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000661775235 411884106 /nfs/dbraw/zinc/88/41/06/411884106.db2.gz XXUPYDRYSFDQHJ-DTWKUNHWSA-N 1 2 245.273 1.623 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC3(COC3)C2)no1 ZINC000662076268 411970330 /nfs/dbraw/zinc/97/03/30/411970330.db2.gz YVXRUJGHALIKLI-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO CCCc1nc(C[N@H+]2CCC3(COC3)C2)no1 ZINC000662076268 411970331 /nfs/dbraw/zinc/97/03/31/411970331.db2.gz YVXRUJGHALIKLI-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662075162 411977386 /nfs/dbraw/zinc/97/73/86/411977386.db2.gz ZBWHHWQBHNAQPD-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662075162 411977391 /nfs/dbraw/zinc/97/73/91/411977391.db2.gz ZBWHHWQBHNAQPD-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000125347386 170881559 /nfs/dbraw/zinc/88/15/59/170881559.db2.gz PIXNNSVBNSLHPC-RKDXNWHRSA-N 1 2 239.344 1.730 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCc2nccnc2C1 ZINC000662123658 411994265 /nfs/dbraw/zinc/99/42/65/411994265.db2.gz AKIMLZJBRQJWHL-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCc2nccnc2C1 ZINC000662123658 411994270 /nfs/dbraw/zinc/99/42/70/411994270.db2.gz AKIMLZJBRQJWHL-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000664603375 411996736 /nfs/dbraw/zinc/99/67/36/411996736.db2.gz DNEKENASXDTXJR-MFKMUULPSA-N 1 2 248.330 1.666 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000664603375 411996739 /nfs/dbraw/zinc/99/67/39/411996739.db2.gz DNEKENASXDTXJR-MFKMUULPSA-N 1 2 248.330 1.666 20 0 BDADLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)ncn1 ZINC000664609093 411997737 /nfs/dbraw/zinc/99/77/37/411997737.db2.gz VUPRSKJSKPBPAY-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO Cc1cc(N[C@@H](C)c2nccn2C)nc[nH+]1 ZINC000664609093 411997740 /nfs/dbraw/zinc/99/77/40/411997740.db2.gz VUPRSKJSKPBPAY-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO CCn1ccnc(N[C@H](C)c2[nH+]ccn2C)c1=O ZINC000664608607 411998556 /nfs/dbraw/zinc/99/85/56/411998556.db2.gz IHYNAUKUXRDHJR-SECBINFHSA-N 1 2 247.302 1.170 20 0 BDADLO Cc1nnc(N[C@@H](C)c2[nH+]ccn2C)nc1C ZINC000664608611 411998868 /nfs/dbraw/zinc/99/88/68/411998868.db2.gz IKRRMGNOGVUJIR-VIFPVBQESA-N 1 2 232.291 1.395 20 0 BDADLO CCC(CC)CCC[N@H+](C)Cc1nnnn1C ZINC000662039782 411957408 /nfs/dbraw/zinc/95/74/08/411957408.db2.gz RRHIRKBXQRCYOM-UHFFFAOYSA-N 1 2 239.367 1.858 20 0 BDADLO CCC(CC)CCC[N@@H+](C)Cc1nnnn1C ZINC000662039782 411957411 /nfs/dbraw/zinc/95/74/11/411957411.db2.gz RRHIRKBXQRCYOM-UHFFFAOYSA-N 1 2 239.367 1.858 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000664438021 411957554 /nfs/dbraw/zinc/95/75/54/411957554.db2.gz CQRCLOIYSZCHDW-MWLCHTKSSA-N 1 2 233.315 1.704 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)no1 ZINC000662039977 411958763 /nfs/dbraw/zinc/95/87/63/411958763.db2.gz QBGMZCODNJXAGM-VHSXEESVSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H]3COC[C@H]3C2)no1 ZINC000662039977 411958765 /nfs/dbraw/zinc/95/87/65/411958765.db2.gz QBGMZCODNJXAGM-VHSXEESVSA-N 1 2 237.303 1.100 20 0 BDADLO Cc1noc(C[NH+]2CCC(c3ccon3)CC2)n1 ZINC000662046891 411963281 /nfs/dbraw/zinc/96/32/81/411963281.db2.gz UHHBXCLLOPWDLQ-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@H]1c1ccncc1 ZINC000664833411 412028433 /nfs/dbraw/zinc/02/84/33/412028433.db2.gz KZXMFLDUEJSJGH-RYUDHWBXSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)[C@H]1c1ccncc1 ZINC000664833411 412028435 /nfs/dbraw/zinc/02/84/35/412028435.db2.gz KZXMFLDUEJSJGH-RYUDHWBXSA-N 1 2 245.326 1.353 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662222136 412030979 /nfs/dbraw/zinc/03/09/79/412030979.db2.gz GIZYYVLJOGASCO-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)CC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662222136 412030980 /nfs/dbraw/zinc/03/09/80/412030980.db2.gz GIZYYVLJOGASCO-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229871 412031738 /nfs/dbraw/zinc/03/17/38/412031738.db2.gz YSWKSGMQRPNUKW-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229871 412031739 /nfs/dbraw/zinc/03/17/39/412031739.db2.gz YSWKSGMQRPNUKW-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO OCCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230811 412031866 /nfs/dbraw/zinc/03/18/66/412031866.db2.gz HJGMLGLDBSXEBG-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO OCCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230811 412031868 /nfs/dbraw/zinc/03/18/68/412031868.db2.gz HJGMLGLDBSXEBG-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO OCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231615 412032761 /nfs/dbraw/zinc/03/27/61/412032761.db2.gz QFNRRACPARHPIQ-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO OCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231615 412032767 /nfs/dbraw/zinc/03/27/67/412032767.db2.gz QFNRRACPARHPIQ-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO COCC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662239884 412037957 /nfs/dbraw/zinc/03/79/57/412037957.db2.gz YDQJUISTYUYJHA-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662239884 412037962 /nfs/dbraw/zinc/03/79/62/412037962.db2.gz YDQJUISTYUYJHA-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2cn[nH]c2)s1 ZINC000662254852 412049916 /nfs/dbraw/zinc/04/99/16/412049916.db2.gz BIATYZASZJGBST-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2cn[nH]c2)s1 ZINC000662254852 412049920 /nfs/dbraw/zinc/04/99/20/412049920.db2.gz BIATYZASZJGBST-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO COCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981773 412055080 /nfs/dbraw/zinc/05/50/80/412055080.db2.gz YZDRLNURYXEGPX-UHFFFAOYSA-N 1 2 219.244 1.510 20 0 BDADLO CC[C@@H]1CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000291738463 171018581 /nfs/dbraw/zinc/01/85/81/171018581.db2.gz YJXUZEZDCBXUPG-GHMZBOCLSA-N 1 2 236.319 1.466 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000269150295 171049205 /nfs/dbraw/zinc/04/92/05/171049205.db2.gz NEKLNVRMSGNSGW-NXEZZACHSA-N 1 2 235.287 1.560 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000341021928 171092750 /nfs/dbraw/zinc/09/27/50/171092750.db2.gz XBALASGYKQHRJN-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000341021928 171092753 /nfs/dbraw/zinc/09/27/53/171092753.db2.gz XBALASGYKQHRJN-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@@H](C)O1 ZINC000336682246 171092822 /nfs/dbraw/zinc/09/28/22/171092822.db2.gz DBXUKDADSPIRHD-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@@H](C)O1 ZINC000336682246 171092824 /nfs/dbraw/zinc/09/28/24/171092824.db2.gz DBXUKDADSPIRHD-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000270462038 171097708 /nfs/dbraw/zinc/09/77/08/171097708.db2.gz LJYVAWLCFLGJIR-QMTHXVAHSA-N 1 2 243.310 1.837 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050814158 171107132 /nfs/dbraw/zinc/10/71/32/171107132.db2.gz AAWSPCWABNPJED-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(N)nc1 ZINC000050814158 171107135 /nfs/dbraw/zinc/10/71/35/171107135.db2.gz AAWSPCWABNPJED-LLVKDONJSA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnn1C ZINC000270992211 171109623 /nfs/dbraw/zinc/10/96/23/171109623.db2.gz IKYWFAZXYHQUAA-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnn1C ZINC000270992211 171109626 /nfs/dbraw/zinc/10/96/26/171109626.db2.gz IKYWFAZXYHQUAA-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000339163687 171127477 /nfs/dbraw/zinc/12/74/77/171127477.db2.gz FBLCFMPMRYKWNA-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000280741795 171133860 /nfs/dbraw/zinc/13/38/60/171133860.db2.gz JWUONKZYWYHMGG-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333845877 171137868 /nfs/dbraw/zinc/13/78/68/171137868.db2.gz OHKGYSYPCUMNLG-ZDCRXTMVSA-N 1 2 248.330 1.987 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000281509152 171157967 /nfs/dbraw/zinc/15/79/67/171157967.db2.gz HOVURPPKVGUESC-DGCLKSJQSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711256 171160829 /nfs/dbraw/zinc/16/08/29/171160829.db2.gz PBAQTDZQKOBTES-HTQZYQBOSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711256 171160832 /nfs/dbraw/zinc/16/08/32/171160832.db2.gz PBAQTDZQKOBTES-HTQZYQBOSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(C)no1 ZINC000336553514 171204006 /nfs/dbraw/zinc/20/40/06/171204006.db2.gz RSJJUGOJHMNTKR-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(C)no1 ZINC000336553514 171204008 /nfs/dbraw/zinc/20/40/08/171204008.db2.gz RSJJUGOJHMNTKR-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000072236221 171241996 /nfs/dbraw/zinc/24/19/96/171241996.db2.gz OOYIFSVVWQIXLU-GFCCVEGCSA-N 1 2 219.284 1.954 20 0 BDADLO CC[C@H](C)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279565132 171269237 /nfs/dbraw/zinc/26/92/37/171269237.db2.gz YWFNPBHADHOXGT-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000309696743 171326466 /nfs/dbraw/zinc/32/64/66/171326466.db2.gz LGNCJYXXOASWPD-DTWKUNHWSA-N 1 2 225.292 1.240 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cocn1 ZINC000192299809 171335181 /nfs/dbraw/zinc/33/51/81/171335181.db2.gz BZHLASTVIYBVEG-IUCAKERBSA-N 1 2 225.292 1.067 20 0 BDADLO CC[C@H](C)OCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000337437818 171351541 /nfs/dbraw/zinc/35/15/41/171351541.db2.gz DRQKNSJJSHKXDA-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@H](C)OCC(=O)NCc1[nH+]ccn1CC ZINC000295595341 171354071 /nfs/dbraw/zinc/35/40/71/171354071.db2.gz IBAOMUPVLDPPEC-JTQLQIEISA-N 1 2 239.319 1.334 20 0 BDADLO CC[C@H](C)[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000301271514 171383250 /nfs/dbraw/zinc/38/32/50/171383250.db2.gz XPGNGYZJIIGHAD-CABZTGNLSA-N 1 2 223.320 1.994 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665134747 412108559 /nfs/dbraw/zinc/10/85/59/412108559.db2.gz PMSGYJLYHCXSIK-GHMZBOCLSA-N 1 2 235.331 1.828 20 0 BDADLO CC[C@H](CNC(=O)c1ccc2[nH+]ccn2c1)OC ZINC000292349629 171437080 /nfs/dbraw/zinc/43/70/80/171437080.db2.gz WGDBQPABYUKJAY-LLVKDONJSA-N 1 2 247.298 1.489 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)cn1 ZINC000662371895 412129352 /nfs/dbraw/zinc/12/93/52/412129352.db2.gz QSNSFNDCDOVYEF-NSHDSACASA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@](C)(C(F)F)C2)cn1 ZINC000662371895 412129357 /nfs/dbraw/zinc/12/93/57/412129357.db2.gz QSNSFNDCDOVYEF-NSHDSACASA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ncc2c1nc(NCC(C)(C)F)[nH+]c2N ZINC000631405786 412193471 /nfs/dbraw/zinc/19/34/71/412193471.db2.gz DUQNHMSQYBBRPB-UHFFFAOYSA-N 1 2 238.270 1.106 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccn(C)n1 ZINC000271018641 171674706 /nfs/dbraw/zinc/67/47/06/171674706.db2.gz SJDWIHGIWAAWSW-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000271018641 171674708 /nfs/dbraw/zinc/67/47/08/171674708.db2.gz SJDWIHGIWAAWSW-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000665463529 412329142 /nfs/dbraw/zinc/32/91/42/412329142.db2.gz IRIZQBLUKHNGKM-LBPRGKRZSA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000665463529 412329145 /nfs/dbraw/zinc/32/91/45/412329145.db2.gz IRIZQBLUKHNGKM-LBPRGKRZSA-N 1 2 234.299 1.016 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665474213 412332541 /nfs/dbraw/zinc/33/25/41/412332541.db2.gz WYTAYUHBMXSLCY-QJPTWQEYSA-N 1 2 247.342 1.815 20 0 BDADLO CCc1cc(N)nc(SC[C@@H](C)O)[nH+]1 ZINC000281552483 171762249 /nfs/dbraw/zinc/76/22/49/171762249.db2.gz YZEDJRDTHQQAAM-ZCFIWIBFSA-N 1 2 213.306 1.094 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000663189737 412392471 /nfs/dbraw/zinc/39/24/71/412392471.db2.gz XSFKYVMHSHEEDZ-UHFFFAOYSA-N 1 2 231.303 1.390 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000663189737 412392472 /nfs/dbraw/zinc/39/24/72/412392472.db2.gz XSFKYVMHSHEEDZ-UHFFFAOYSA-N 1 2 231.303 1.390 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cnccn2)[nH]1 ZINC000358270689 172007132 /nfs/dbraw/zinc/00/71/32/172007132.db2.gz XJDYNSNPBKRMFP-IUCAKERBSA-N 1 2 246.318 1.569 20 0 BDADLO CCc1nnc([C@H](C)Nc2cc[nH+]c(C)n2)[nH]1 ZINC000270725391 172007908 /nfs/dbraw/zinc/00/79/08/172007908.db2.gz PMORRCBZRZSCSL-ZETCQYMHSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1ncnc(NCCCn2cc[nH+]c2)c1F ZINC000091424742 172032530 /nfs/dbraw/zinc/03/25/30/172032530.db2.gz HMLNZHXQUUMLIJ-UHFFFAOYSA-N 1 2 249.293 1.877 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@H+](C)CCO ZINC000127908313 172037766 /nfs/dbraw/zinc/03/77/66/172037766.db2.gz ZFFXJEXXXSUZTM-UHFFFAOYSA-N 1 2 231.727 1.060 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@@H+](C)CCO ZINC000127908313 172037767 /nfs/dbraw/zinc/03/77/67/172037767.db2.gz ZFFXJEXXXSUZTM-UHFFFAOYSA-N 1 2 231.727 1.060 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOCC[C@@H]2C)o1 ZINC000362469574 172051010 /nfs/dbraw/zinc/05/10/10/172051010.db2.gz CRYKUUFHNZNTJM-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCOCC[C@@H]2C)o1 ZINC000362469574 172051012 /nfs/dbraw/zinc/05/10/12/172051012.db2.gz CRYKUUFHNZNTJM-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nc(SCCn2cc[nH+]c2)n[nH]1 ZINC000121887626 172061686 /nfs/dbraw/zinc/06/16/86/172061686.db2.gz ZSHJFIKALIZFMM-UHFFFAOYSA-N 1 2 223.305 1.356 20 0 BDADLO CCc1nnc(SCCn2cc[nH+]c2)[nH]1 ZINC000121887626 172061688 /nfs/dbraw/zinc/06/16/88/172061688.db2.gz ZSHJFIKALIZFMM-UHFFFAOYSA-N 1 2 223.305 1.356 20 0 BDADLO CCc1nnc([C@@H](C)N2CCn3cc[nH+]c3C2)o1 ZINC000331891220 172063316 /nfs/dbraw/zinc/06/33/16/172063316.db2.gz OFVMKBBFOVRBNR-SECBINFHSA-N 1 2 247.302 1.405 20 0 BDADLO CCc1noc(C)c1C[N@H+](CC(N)=O)C(C)C ZINC000162615743 172075973 /nfs/dbraw/zinc/07/59/73/172075973.db2.gz IMNZWHIKYVUWKF-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CCc1noc(C)c1C[N@@H+](CC(N)=O)C(C)C ZINC000162615743 172075975 /nfs/dbraw/zinc/07/59/75/172075975.db2.gz IMNZWHIKYVUWKF-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CCc1noc(C)c1C[NH+]1CC(O)(C2CC2)C1 ZINC000365710840 172076202 /nfs/dbraw/zinc/07/62/02/172076202.db2.gz ZIMUIMMMIUZYAI-UHFFFAOYSA-N 1 2 236.315 1.502 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000264341708 172092216 /nfs/dbraw/zinc/09/22/16/172092216.db2.gz CJMSIOIITLDTAM-UWVGGRQHSA-N 1 2 249.318 1.568 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC[C@]2(C)CC)cn1 ZINC000361150963 172164929 /nfs/dbraw/zinc/16/49/29/172164929.db2.gz CTISBLRRVLNJTB-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc(C[N@H+]2CCOC[C@]2(C)CC)cn1 ZINC000361150963 172164930 /nfs/dbraw/zinc/16/49/30/172164930.db2.gz CTISBLRRVLNJTB-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000093417852 172165803 /nfs/dbraw/zinc/16/58/03/172165803.db2.gz QRYQWHKSWNDOIM-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000093417852 172165804 /nfs/dbraw/zinc/16/58/04/172165804.db2.gz QRYQWHKSWNDOIM-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(N[C@@H]2CCn3cc[nH+]c32)cn1 ZINC000294067082 172186808 /nfs/dbraw/zinc/18/68/08/172186808.db2.gz KMDXSFHBYARFQJ-SNVBAGLBSA-N 1 2 217.276 1.656 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2ncnn2CC)cn1 ZINC000359052009 172197541 /nfs/dbraw/zinc/19/75/41/172197541.db2.gz DSEMIVSSCRQMIP-JTQLQIEISA-N 1 2 248.334 1.365 20 0 BDADLO CCn1ccnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000102769901 172217877 /nfs/dbraw/zinc/21/78/77/172217877.db2.gz GZSDNEPAFUMTBD-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000102769901 172217879 /nfs/dbraw/zinc/21/78/79/172217879.db2.gz GZSDNEPAFUMTBD-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378482530 172221250 /nfs/dbraw/zinc/22/12/50/172221250.db2.gz MORYSHCPYODTTI-NSHDSACASA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333448791 172221837 /nfs/dbraw/zinc/22/18/37/172221837.db2.gz YCKBVMJGCLPBKT-JGPRNRPPSA-N 1 2 248.330 1.501 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC=CCC1 ZINC000295567527 172223016 /nfs/dbraw/zinc/22/30/16/172223016.db2.gz FZOMJAGVQHALLW-LLVKDONJSA-N 1 2 233.315 1.876 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cccn1C ZINC000295742311 172223023 /nfs/dbraw/zinc/22/30/23/172223023.db2.gz MMKKZGHOKUVBCJ-UHFFFAOYSA-N 1 2 232.287 1.172 20 0 BDADLO CCn1cnnc1CNc1cc[nH+]c(C(C)C)n1 ZINC000106464720 172236492 /nfs/dbraw/zinc/23/64/92/172236492.db2.gz AIJRXQLCZLLEQQ-UHFFFAOYSA-N 1 2 246.318 1.824 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccc(C)o1 ZINC000218227094 172237125 /nfs/dbraw/zinc/23/71/25/172237125.db2.gz OWNPTEWPKQXORW-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)CCF)c1C ZINC000293544738 172245354 /nfs/dbraw/zinc/24/53/54/172245354.db2.gz DIKULQQCJKMLME-UHFFFAOYSA-N 1 2 213.300 1.921 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)CCF)c1C ZINC000293544738 172245355 /nfs/dbraw/zinc/24/53/55/172245355.db2.gz DIKULQQCJKMLME-UHFFFAOYSA-N 1 2 213.300 1.921 20 0 BDADLO CCn1ncnc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000362924540 172278309 /nfs/dbraw/zinc/27/83/09/172278309.db2.gz PUHCRVFYUWRKOC-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000362924540 172278311 /nfs/dbraw/zinc/27/83/11/172278311.db2.gz PUHCRVFYUWRKOC-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000375730510 172278996 /nfs/dbraw/zinc/27/89/96/172278996.db2.gz KUFHUWSCMFCKIK-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@H+]1CCCOC(C)(C)C1 ZINC000375730510 172278997 /nfs/dbraw/zinc/27/89/97/172278997.db2.gz KUFHUWSCMFCKIK-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000336599980 172279636 /nfs/dbraw/zinc/27/96/36/172279636.db2.gz PBOZWGCUSFWRTP-JTQLQIEISA-N 1 2 220.320 1.696 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000336599980 172279638 /nfs/dbraw/zinc/27/96/38/172279638.db2.gz PBOZWGCUSFWRTP-JTQLQIEISA-N 1 2 220.320 1.696 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1ccncc1F ZINC000338365050 172283361 /nfs/dbraw/zinc/28/33/61/172283361.db2.gz FHRAKNBYJGZUTD-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CN(C(=O)CCc1c[nH+]cn1C)C1CCCC1 ZINC000279977699 172306751 /nfs/dbraw/zinc/30/67/51/172306751.db2.gz QFESHESKEQSVMW-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO CN(C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000329319892 172309913 /nfs/dbraw/zinc/30/99/13/172309913.db2.gz REIHAMHUBYQVLR-NSHDSACASA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ncc[nH]1)C1CC1 ZINC000329319892 172309916 /nfs/dbraw/zinc/30/99/16/172309916.db2.gz REIHAMHUBYQVLR-NSHDSACASA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ncc[nH]1)C1CC1 ZINC000329319892 172309919 /nfs/dbraw/zinc/30/99/19/172309919.db2.gz REIHAMHUBYQVLR-NSHDSACASA-N 1 2 248.330 1.167 20 0 BDADLO CN(C)C(=O)CCCNc1cccc[nH+]1 ZINC000290705566 172356308 /nfs/dbraw/zinc/35/63/08/172356308.db2.gz WOCGEGBFYKIEBU-UHFFFAOYSA-N 1 2 207.277 1.362 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000157930844 172367632 /nfs/dbraw/zinc/36/76/32/172367632.db2.gz WXNFTZRIPYWDGU-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000157930844 172367635 /nfs/dbraw/zinc/36/76/35/172367635.db2.gz WXNFTZRIPYWDGU-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CN(C)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173420055 172369646 /nfs/dbraw/zinc/36/96/46/172369646.db2.gz XYPGDMDZFQUYHQ-UHFFFAOYSA-N 1 2 227.333 1.056 20 0 BDADLO CN(C)C(=O)CNc1ccc2ccccc2[nH+]1 ZINC000037207093 172371967 /nfs/dbraw/zinc/37/19/67/172371967.db2.gz BOSWJBSIGRRAOS-UHFFFAOYSA-N 1 2 229.283 1.735 20 0 BDADLO CN(C)C(=O)[C@@H]1CCCN1c1cccc[nH+]1 ZINC000280376884 172385503 /nfs/dbraw/zinc/38/55/03/172385503.db2.gz KTYPMKRHRPSCOS-JTQLQIEISA-N 1 2 219.288 1.139 20 0 BDADLO CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117751292 172391259 /nfs/dbraw/zinc/39/12/59/172391259.db2.gz ALCJSOISQQXRAF-UHFFFAOYSA-N 1 2 215.256 1.574 20 0 BDADLO C[NH+]1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000052096924 173085016 /nfs/dbraw/zinc/08/50/16/173085016.db2.gz OQGQWTCJZOXBIC-AWEZNQCLSA-N 1 2 234.343 1.142 20 0 BDADLO CN1CC[N@H+](Cc2cc3cccnc3o2)CC1=O ZINC000336221188 173087121 /nfs/dbraw/zinc/08/71/21/173087121.db2.gz OFRDECNOJRXKAM-UHFFFAOYSA-N 1 2 245.282 1.102 20 0 BDADLO CN1CC[N@@H+](Cc2cc3cccnc3o2)CC1=O ZINC000336221188 173087122 /nfs/dbraw/zinc/08/71/22/173087122.db2.gz OFRDECNOJRXKAM-UHFFFAOYSA-N 1 2 245.282 1.102 20 0 BDADLO CN1CC[N@H+](Cc2cccc3ccoc32)CC1=O ZINC000336221208 173088639 /nfs/dbraw/zinc/08/86/39/173088639.db2.gz QNNFEOCYWYQSQL-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO CN1CC[N@@H+](Cc2cccc3ccoc32)CC1=O ZINC000336221208 173088641 /nfs/dbraw/zinc/08/86/41/173088641.db2.gz QNNFEOCYWYQSQL-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000174360156 173099631 /nfs/dbraw/zinc/09/96/31/173099631.db2.gz XIDAHVNOEZFALU-LLVKDONJSA-N 1 2 238.262 1.095 20 0 BDADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000174360156 173099632 /nfs/dbraw/zinc/09/96/32/173099632.db2.gz XIDAHVNOEZFALU-LLVKDONJSA-N 1 2 238.262 1.095 20 0 BDADLO CN1C[C@@H]([NH2+]Cc2ncc(Cl)s2)CC1=O ZINC000308803738 173186794 /nfs/dbraw/zinc/18/67/94/173186794.db2.gz FPGZTZHEIJUNKW-LURJTMIESA-N 1 2 245.735 1.117 20 0 BDADLO CNC(=O)CC[N@H+](C)C/C(Cl)=C/Cl ZINC000177728646 173248235 /nfs/dbraw/zinc/24/82/35/173248235.db2.gz NDLLNJUTVJRMEI-ALCCZGGFSA-N 1 2 225.119 1.373 20 0 BDADLO CNC(=O)CC[N@@H+](C)C/C(Cl)=C/Cl ZINC000177728646 173248240 /nfs/dbraw/zinc/24/82/40/173248240.db2.gz NDLLNJUTVJRMEI-ALCCZGGFSA-N 1 2 225.119 1.373 20 0 BDADLO CNC(=O)CCN(C)c1[nH+]c2ccccc2n1C ZINC000179290041 173251621 /nfs/dbraw/zinc/25/16/21/173251621.db2.gz XLUPQZDPXLOIHB-UHFFFAOYSA-N 1 2 246.314 1.146 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000293480469 173269627 /nfs/dbraw/zinc/26/96/27/173269627.db2.gz MJVKCAPAEZXVAC-UHFFFAOYSA-N 1 2 249.358 1.691 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000293480469 173269630 /nfs/dbraw/zinc/26/96/30/173269630.db2.gz MJVKCAPAEZXVAC-UHFFFAOYSA-N 1 2 249.358 1.691 20 0 BDADLO CNC(=O)C[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000363794037 173273408 /nfs/dbraw/zinc/27/34/08/173273408.db2.gz TWAQXZUGEUNPAR-UHFFFAOYSA-N 1 2 249.314 1.208 20 0 BDADLO CNC(=O)[C@@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000267026682 173294347 /nfs/dbraw/zinc/29/43/47/173294347.db2.gz AACDLSOUQODVGV-VIFPVBQESA-N 1 2 248.330 1.172 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC000042560166 173295399 /nfs/dbraw/zinc/29/53/99/173295399.db2.gz OBJFVSMUFRTYPI-SSDOTTSWSA-N 1 2 228.242 1.189 20 0 BDADLO CNC(=O)[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000301753401 173296917 /nfs/dbraw/zinc/29/69/17/173296917.db2.gz BUOJFSATMZOOMF-NSHDSACASA-N 1 2 248.330 1.537 20 0 BDADLO CNC(=O)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC000042560163 173302414 /nfs/dbraw/zinc/30/24/14/173302414.db2.gz OBJFVSMUFRTYPI-ZETCQYMHSA-N 1 2 228.242 1.189 20 0 BDADLO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000042561660 173303490 /nfs/dbraw/zinc/30/34/90/173303490.db2.gz QIVWXQABEDGHIW-BQBZGAKWSA-N 1 2 227.333 1.237 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1conc1C ZINC000295505967 173305827 /nfs/dbraw/zinc/30/58/27/173305827.db2.gz YRMWTKRQAQSECW-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1conc1C ZINC000295505967 173305828 /nfs/dbraw/zinc/30/58/28/173305828.db2.gz YRMWTKRQAQSECW-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO COC(=O)[C@H](CC(F)F)[NH2+]CC1CC1 ZINC000336665484 173794403 /nfs/dbraw/zinc/79/44/03/173794403.db2.gz VDEIANJVNIHHEC-ZETCQYMHSA-N 1 2 207.220 1.183 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](C)O ZINC000336755298 173804672 /nfs/dbraw/zinc/80/46/72/173804672.db2.gz GGSSENYQSKHXOF-HBNTYKKESA-N 1 2 231.336 1.181 20 0 BDADLO COC1(CNc2cc(C)[nH+]cn2)CCC1 ZINC000227304677 174004705 /nfs/dbraw/zinc/00/47/05/174004705.db2.gz GJKBJUQQZHCFEO-UHFFFAOYSA-N 1 2 207.277 1.766 20 0 BDADLO COC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000271032918 174028504 /nfs/dbraw/zinc/02/85/04/174028504.db2.gz ICRDLMXGAPCKON-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO COC1C[NH+](Cc2cccc3c2OCCO3)C1 ZINC000357896198 174035447 /nfs/dbraw/zinc/03/54/47/174035447.db2.gz UNIQVBJFNRDOST-UHFFFAOYSA-N 1 2 235.283 1.288 20 0 BDADLO COCC(C)(C)NC(=O)Nc1cc[nH+]cc1C ZINC000122099223 174081085 /nfs/dbraw/zinc/08/10/85/174081085.db2.gz DQVDGABWBNUGHR-UHFFFAOYSA-N 1 2 237.303 1.937 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(C)cc2)C1 ZINC000297428672 174112737 /nfs/dbraw/zinc/11/27/37/174112737.db2.gz OFNBYGDEFPHAJS-UHFFFAOYSA-N 1 2 221.300 1.188 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(F)cc2)C1 ZINC000297305493 174113846 /nfs/dbraw/zinc/11/38/46/174113846.db2.gz BVKQMMRPPVUXKJ-UHFFFAOYSA-N 1 2 225.263 1.019 20 0 BDADLO COCCC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000353775677 174138476 /nfs/dbraw/zinc/13/84/76/174138476.db2.gz UJLJENJCOCPPBB-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO COCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276714877 174167300 /nfs/dbraw/zinc/16/73/00/174167300.db2.gz ZZRNGDDWBJAXNP-LLVKDONJSA-N 1 2 239.319 1.650 20 0 BDADLO COCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266183282 174168752 /nfs/dbraw/zinc/16/87/52/174168752.db2.gz YOENTVUGOPQBCZ-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO COCCCCCNC(=O)CCn1cc[nH+]c1 ZINC000338098961 174180136 /nfs/dbraw/zinc/18/01/36/174180136.db2.gz WUZHJCLFVVLQIB-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO COCCC[N@H+](C)Cc1csnn1 ZINC000120454986 174219060 /nfs/dbraw/zinc/21/90/60/174219060.db2.gz JZPLQRZIVYNIIO-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO COCCC[N@@H+](C)Cc1csnn1 ZINC000120454986 174219064 /nfs/dbraw/zinc/21/90/64/174219064.db2.gz JZPLQRZIVYNIIO-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO COCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280669395 174242538 /nfs/dbraw/zinc/24/25/38/174242538.db2.gz CGFGKPIQGXLTKQ-UHFFFAOYSA-N 1 2 248.286 1.492 20 0 BDADLO COCCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000152273036 174242964 /nfs/dbraw/zinc/24/29/64/174242964.db2.gz TVASNKFLDAMXMA-UHFFFAOYSA-N 1 2 237.303 1.856 20 0 BDADLO COCC[N@H+](C)Cc1nccn1-c1ccccc1 ZINC000361500342 174279932 /nfs/dbraw/zinc/27/99/32/174279932.db2.gz CVPROYOYOCJUBP-UHFFFAOYSA-N 1 2 245.326 1.951 20 0 BDADLO COCC[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC000361500342 174279934 /nfs/dbraw/zinc/27/99/34/174279934.db2.gz CVPROYOYOCJUBP-UHFFFAOYSA-N 1 2 245.326 1.951 20 0 BDADLO COCC[N@H+](C)Cc1ncc(C)s1 ZINC000271444562 174280069 /nfs/dbraw/zinc/28/00/69/174280069.db2.gz CWSDSFGUMHSFAN-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO COCC[N@@H+](C)Cc1ncc(C)s1 ZINC000271444562 174280072 /nfs/dbraw/zinc/28/00/72/174280072.db2.gz CWSDSFGUMHSFAN-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO COCC[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000105608318 174280103 /nfs/dbraw/zinc/28/01/03/174280103.db2.gz FJMYLPOSVLKKHA-UHFFFAOYSA-N 1 2 237.259 1.408 20 0 BDADLO COCC[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000105608318 174280106 /nfs/dbraw/zinc/28/01/06/174280106.db2.gz FJMYLPOSVLKKHA-UHFFFAOYSA-N 1 2 237.259 1.408 20 0 BDADLO COCC[N@H+](CC(=O)OC)[C@H]1CCCSC1 ZINC000355915822 174286562 /nfs/dbraw/zinc/28/65/62/174286562.db2.gz PNASIEBLMNEGJF-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO COCC[N@@H+](CC(=O)OC)[C@H]1CCCSC1 ZINC000355915822 174286564 /nfs/dbraw/zinc/28/65/64/174286564.db2.gz PNASIEBLMNEGJF-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO COCC[N@H+](Cc1ccco1)Cc1c[nH]nc1C ZINC000092562767 174300850 /nfs/dbraw/zinc/30/08/50/174300850.db2.gz BGKXJVOITFEUOW-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO COCC[N@@H+](Cc1ccco1)Cc1c[nH]nc1C ZINC000092562767 174300853 /nfs/dbraw/zinc/30/08/53/174300853.db2.gz BGKXJVOITFEUOW-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO COCC[N@H+](Cc1nnc(C(C)C)o1)C1CC1 ZINC000336716574 174302971 /nfs/dbraw/zinc/30/29/71/174302971.db2.gz VTCUIQPDIZWCHF-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC[N@@H+](Cc1nnc(C(C)C)o1)C1CC1 ZINC000336716574 174302973 /nfs/dbraw/zinc/30/29/73/174302973.db2.gz VTCUIQPDIZWCHF-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000358947297 174340534 /nfs/dbraw/zinc/34/05/34/174340534.db2.gz SOLTVXAAJKXJML-LLVKDONJSA-N 1 2 232.287 1.130 20 0 BDADLO COCCOC1C[NH+](Cc2c(C)noc2C)C1 ZINC000336712218 174344037 /nfs/dbraw/zinc/34/40/37/174344037.db2.gz RRJSEMHNBOHJJS-UHFFFAOYSA-N 1 2 240.303 1.139 20 0 BDADLO COCCOCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353173106 174352964 /nfs/dbraw/zinc/35/29/64/174352964.db2.gz OJOYRHDYQMMEMM-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO COCCOCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337534921 174354107 /nfs/dbraw/zinc/35/41/07/174354107.db2.gz XEORJDZIZCLBTQ-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO COCCOCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337534921 174354109 /nfs/dbraw/zinc/35/41/09/174354109.db2.gz XEORJDZIZCLBTQ-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO COC[C@@H]([NH2+][C@H](CC(C)C)C(=O)OC)C1CC1 ZINC000126169730 174488249 /nfs/dbraw/zinc/48/82/49/174488249.db2.gz MKKALXTYJZKSOO-VXGBXAGGSA-N 1 2 243.347 1.589 20 0 BDADLO CON(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000192370171 174656302 /nfs/dbraw/zinc/65/63/02/174656302.db2.gz DSJVKTWETAOSBM-UHFFFAOYSA-N 1 2 238.291 1.086 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(C)c1 ZINC000359144998 175060987 /nfs/dbraw/zinc/06/09/87/175060987.db2.gz PNRAQWFZLFIZNI-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(C)c1 ZINC000359144998 175060990 /nfs/dbraw/zinc/06/09/90/175060990.db2.gz PNRAQWFZLFIZNI-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000266994238 175061643 /nfs/dbraw/zinc/06/16/43/175061643.db2.gz WGUQNHYCMMOFGR-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000359990917 175098204 /nfs/dbraw/zinc/09/82/04/175098204.db2.gz CPGFSVYMYIQSLO-UHFFFAOYSA-N 1 2 244.298 1.344 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(OC)C2)cc1O ZINC000362319772 175098406 /nfs/dbraw/zinc/09/84/06/175098406.db2.gz HAYSPYUXUZGLLA-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nn1 ZINC000338296118 175101071 /nfs/dbraw/zinc/10/10/71/175101071.db2.gz REGLOKLIJHEUNV-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)nn1 ZINC000338296118 175101073 /nfs/dbraw/zinc/10/10/73/175101073.db2.gz REGLOKLIJHEUNV-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[NH2+]Cc2nccn2C)cc1O ZINC000071138765 175107821 /nfs/dbraw/zinc/10/78/21/175107821.db2.gz ZZXOGCIFQGRMGA-UHFFFAOYSA-N 1 2 247.298 1.424 20 0 BDADLO COc1ccc(C[NH2+]Cc2csnn2)cn1 ZINC000036902116 175108022 /nfs/dbraw/zinc/10/80/22/175108022.db2.gz WVIYDDUGGMYSEY-UHFFFAOYSA-N 1 2 236.300 1.232 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)cc1O ZINC000171646746 175108666 /nfs/dbraw/zinc/10/86/66/175108666.db2.gz ZLLPNQSEKCRLJJ-UHFFFAOYSA-N 1 2 234.255 1.679 20 0 BDADLO COc1ccc(N[C@H]2CCn3cc[nH+]c32)cn1 ZINC000294264367 175155817 /nfs/dbraw/zinc/15/58/17/175155817.db2.gz XMWCPTQLVAPLJQ-JTQLQIEISA-N 1 2 230.271 1.844 20 0 BDADLO COc1cccc(C[N@H+](C)[C@H]2CCOC2=O)c1 ZINC000298067867 175255058 /nfs/dbraw/zinc/25/50/58/175255058.db2.gz FWAQWKAKKQKBBI-LBPRGKRZSA-N 1 2 235.283 1.443 20 0 BDADLO COc1cccc(C[N@@H+](C)[C@H]2CCOC2=O)c1 ZINC000298067867 175255060 /nfs/dbraw/zinc/25/50/60/175255060.db2.gz FWAQWKAKKQKBBI-LBPRGKRZSA-N 1 2 235.283 1.443 20 0 BDADLO COc1cccc2c1CC[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000182725398 175300977 /nfs/dbraw/zinc/30/09/77/175300977.db2.gz GGQGRMFKDJOIIY-GFCCVEGCSA-N 1 2 247.294 1.369 20 0 BDADLO COc1cccc2c1CC[N@H+]([C@@H]1CCOC1=O)C2 ZINC000182725398 175300978 /nfs/dbraw/zinc/30/09/78/175300978.db2.gz GGQGRMFKDJOIIY-GFCCVEGCSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000290209269 175330446 /nfs/dbraw/zinc/33/04/46/175330446.db2.gz VSPIGQWLPSEUCP-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1ccccc1[C@@H]([NH3+])c1nnc(C)o1 ZINC000019729521 175347233 /nfs/dbraw/zinc/34/72/33/175347233.db2.gz IKQZZAWAXTZWPQ-SNVBAGLBSA-N 1 2 219.244 1.435 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1ncnn1C ZINC000149238039 175351572 /nfs/dbraw/zinc/35/15/72/175351572.db2.gz DHRYKBFKDKKODA-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000264398735 175357817 /nfs/dbraw/zinc/35/78/17/175357817.db2.gz GMILCZZGTIJFPN-ZIAGYGMSSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000264398735 175357819 /nfs/dbraw/zinc/35/78/19/175357819.db2.gz GMILCZZGTIJFPN-ZIAGYGMSSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000264398735 175357821 /nfs/dbraw/zinc/35/78/21/175357821.db2.gz GMILCZZGTIJFPN-ZIAGYGMSSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@H](C)C2)c1 ZINC000339587400 175358010 /nfs/dbraw/zinc/35/80/10/175358010.db2.gz XUTDNHOOVRBTKM-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccnc(NCCCn2cc[nH+]c2)n1 ZINC000219028224 175364351 /nfs/dbraw/zinc/36/43/51/175364351.db2.gz NMYJTCZXCQZKMS-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO COc1ccnc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000263993978 175366024 /nfs/dbraw/zinc/36/60/24/175366024.db2.gz HMTHOWGNSPMRMU-JTQLQIEISA-N 1 2 247.302 1.430 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)CF ZINC000293465569 175369652 /nfs/dbraw/zinc/36/96/52/175369652.db2.gz WCACVPRJBCECPK-QMMMGPOBSA-N 1 2 241.266 1.247 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CC(C)(F)F ZINC000293373637 175370633 /nfs/dbraw/zinc/37/06/33/175370633.db2.gz NPQXNIMUCPUBRL-UHFFFAOYSA-N 1 2 244.241 1.752 20 0 BDADLO COc1cc[nH+]cc1CSC[C@@H](C)CO ZINC000286565791 175372896 /nfs/dbraw/zinc/37/28/96/175372896.db2.gz QEICVGGZUWJYQT-VIFPVBQESA-N 1 2 227.329 1.952 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ncoc1C ZINC000286888209 175373575 /nfs/dbraw/zinc/37/35/75/175373575.db2.gz FYDFPJDXJNKTHQ-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCSC1 ZINC000336353940 175374519 /nfs/dbraw/zinc/37/45/19/175374519.db2.gz CKRDAYUWMCEDJF-QMMMGPOBSA-N 1 2 238.312 1.782 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCCO1 ZINC000121501081 175374566 /nfs/dbraw/zinc/37/45/66/175374566.db2.gz FKNVZFZTCFWIGE-NSHDSACASA-N 1 2 236.271 1.598 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)OC ZINC000131480301 175374603 /nfs/dbraw/zinc/37/46/03/175374603.db2.gz MHOFXJXNKIHVBG-SSDOTTSWSA-N 1 2 210.233 1.064 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)SC ZINC000330578780 175374725 /nfs/dbraw/zinc/37/47/25/175374725.db2.gz SJYJERAKMDKMHK-SSDOTTSWSA-N 1 2 226.301 1.780 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000376169170 175375451 /nfs/dbraw/zinc/37/54/51/175375451.db2.gz ZSXTWSYXOMXVJW-GGZOMVNGSA-N 1 2 248.282 1.454 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@](C)(F)C2)c(C)n1 ZINC000337196578 175399453 /nfs/dbraw/zinc/39/94/53/175399453.db2.gz XMWKBKOBGFEBIC-LBPRGKRZSA-N 1 2 239.294 1.728 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@](C)(F)C2)c(C)n1 ZINC000337196578 175399454 /nfs/dbraw/zinc/39/94/54/175399454.db2.gz XMWKBKOBGFEBIC-LBPRGKRZSA-N 1 2 239.294 1.728 20 0 BDADLO CS[C@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284345917 175561034 /nfs/dbraw/zinc/56/10/34/175561034.db2.gz JUHCTNVOFJKTLC-MPJRPATESA-N 1 2 225.317 1.291 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccncc1F ZINC000309791606 175897530 /nfs/dbraw/zinc/89/75/30/175897530.db2.gz PHUHEDNMWIUZND-MRVPVSSYSA-N 1 2 220.251 1.795 20 0 BDADLO C[C@@H](O)CNc1cc(NC2CCC2)nc[nH+]1 ZINC000298436789 175983533 /nfs/dbraw/zinc/98/35/33/175983533.db2.gz XHAMJZSULAOQLB-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H](O)CNc1cc(NC2CCC2)[nH+]cn1 ZINC000298436789 175983535 /nfs/dbraw/zinc/98/35/35/175983535.db2.gz XHAMJZSULAOQLB-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H](O)c1cnc(C[N@@H+]2CCCOCC2)s1 ZINC000366005457 176000222 /nfs/dbraw/zinc/00/02/22/176000222.db2.gz NTFBTULOUCGNQB-SECBINFHSA-N 1 2 242.344 1.419 20 0 BDADLO C[C@@H](O)c1cnc(C[N@H+]2CCCOCC2)s1 ZINC000366005457 176000225 /nfs/dbraw/zinc/00/02/25/176000225.db2.gz NTFBTULOUCGNQB-SECBINFHSA-N 1 2 242.344 1.419 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cn(C)nn1 ZINC000336701035 176029160 /nfs/dbraw/zinc/02/91/60/176029160.db2.gz KVVHCUICFPHEOQ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336701035 176029162 /nfs/dbraw/zinc/02/91/62/176029162.db2.gz KVVHCUICFPHEOQ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000330503998 176030670 /nfs/dbraw/zinc/03/06/70/176030670.db2.gz GMLLVURYUOYPDB-ONGXEEELSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000330503998 176030672 /nfs/dbraw/zinc/03/06/72/176030672.db2.gz GMLLVURYUOYPDB-ONGXEEELSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(C)C)C1CC1 ZINC000119253365 176031652 /nfs/dbraw/zinc/03/16/52/176031652.db2.gz MOCZFGUIXDKMNS-JTQLQIEISA-N 1 2 236.315 1.893 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(C)C)C1CC1 ZINC000119253365 176031653 /nfs/dbraw/zinc/03/16/53/176031653.db2.gz MOCZFGUIXDKMNS-JTQLQIEISA-N 1 2 236.315 1.893 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cn(C)nn1 ZINC000336700901 176035531 /nfs/dbraw/zinc/03/55/31/176035531.db2.gz GEKBXKLQKBWLGW-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336700901 176035532 /nfs/dbraw/zinc/03/55/32/176035532.db2.gz GEKBXKLQKBWLGW-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nccc(N)n1 ZINC000091988596 176035678 /nfs/dbraw/zinc/03/56/78/176035678.db2.gz IVADXVLOIDBQBC-JTQLQIEISA-N 1 2 243.314 1.647 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nccc(N)n1 ZINC000091988596 176035680 /nfs/dbraw/zinc/03/56/80/176035680.db2.gz IVADXVLOIDBQBC-JTQLQIEISA-N 1 2 243.314 1.647 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+](C)Cc1ccccc1 ZINC000188664092 176040390 /nfs/dbraw/zinc/04/03/90/176040390.db2.gz GIBIBDDBVULKBP-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+](C)Cc1ccccc1 ZINC000188664092 176040394 /nfs/dbraw/zinc/04/03/94/176040394.db2.gz GIBIBDDBVULKBP-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H]1CCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000274693044 176063732 /nfs/dbraw/zinc/06/37/32/176063732.db2.gz RHHFJJOELOLEEO-GFCCVEGCSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000336259461 176066899 /nfs/dbraw/zinc/06/68/99/176066899.db2.gz CTSGUBNGVGUTFL-MNOVXSKESA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000336259461 176066901 /nfs/dbraw/zinc/06/69/01/176066901.db2.gz CTSGUBNGVGUTFL-MNOVXSKESA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000104095275 176073024 /nfs/dbraw/zinc/07/30/24/176073024.db2.gz WTGCHNIBVUIAAA-SNVBAGLBSA-N 1 2 246.314 1.397 20 0 BDADLO C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000104095275 176073026 /nfs/dbraw/zinc/07/30/26/176073026.db2.gz WTGCHNIBVUIAAA-SNVBAGLBSA-N 1 2 246.314 1.397 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000274454663 176126803 /nfs/dbraw/zinc/12/68/03/176126803.db2.gz TVIUKWZEOGZJBF-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000339520396 176148075 /nfs/dbraw/zinc/14/80/75/176148075.db2.gz XGKKRXQIQVJZOA-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCc1[nH+]ccn1C ZINC000335905049 176152452 /nfs/dbraw/zinc/15/24/52/176152452.db2.gz XXRYMBJQMZQSDV-MFKMUULPSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000288637154 176155874 /nfs/dbraw/zinc/15/58/74/176155874.db2.gz WRFHXBWNQOXZRU-MNOVXSKESA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@H]2COCCO2)CC1(F)F ZINC000336264170 176174816 /nfs/dbraw/zinc/17/48/16/176174816.db2.gz UEKQSXRWEXOJIC-ZJUUUORDSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@H]2COCCO2)CC1(F)F ZINC000336264170 176174817 /nfs/dbraw/zinc/17/48/17/176174817.db2.gz UEKQSXRWEXOJIC-ZJUUUORDSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)[C@H]1CO ZINC000276089273 176181959 /nfs/dbraw/zinc/18/19/59/176181959.db2.gz VUKZLHNMOFSEFM-YGRLFVJLSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000092977823 176182638 /nfs/dbraw/zinc/18/26/38/176182638.db2.gz JAVOKVHNOLGWPI-SKDRFNHKSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H]1CCNC(=O)[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000193522865 176184192 /nfs/dbraw/zinc/18/41/92/176184192.db2.gz MWPVIVAAMAJHJS-KCJUWKMLSA-N 1 2 246.314 1.291 20 0 BDADLO C[C@@H]1CC[C@H](CCC(=O)NCc2[nH]cc[nH+]2)O1 ZINC000266593456 176223282 /nfs/dbraw/zinc/22/32/82/176223282.db2.gz SZRLPDOOOXLNFJ-NXEZZACHSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2c2ncon2)O1 ZINC000365057391 176223603 /nfs/dbraw/zinc/22/36/03/176223603.db2.gz ZNPSQKYQBIFHNY-MXWKQRLJSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ncon2)O1 ZINC000365057391 176223605 /nfs/dbraw/zinc/22/36/05/176223605.db2.gz ZNPSQKYQBIFHNY-MXWKQRLJSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000294384499 176246518 /nfs/dbraw/zinc/24/65/18/176246518.db2.gz XZOVVCCYQWQJQA-NXEZZACHSA-N 1 2 221.304 1.220 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000279285053 176246570 /nfs/dbraw/zinc/24/65/70/176246570.db2.gz YBNLYOIXBLBZDX-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2ncco2)CCO1 ZINC000278100411 176292805 /nfs/dbraw/zinc/29/28/05/176292805.db2.gz ZLACJVDKZQOYGR-SECBINFHSA-N 1 2 228.317 1.487 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2ncco2)CCO1 ZINC000278100411 176292807 /nfs/dbraw/zinc/29/28/07/176292807.db2.gz ZLACJVDKZQOYGR-SECBINFHSA-N 1 2 228.317 1.487 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cscn2)CCC1=O ZINC000082626344 176295461 /nfs/dbraw/zinc/29/54/61/176295461.db2.gz LNUVVROLANTUFW-SECBINFHSA-N 1 2 224.329 1.597 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cscn2)CCC1=O ZINC000082626344 176295463 /nfs/dbraw/zinc/29/54/63/176295463.db2.gz LNUVVROLANTUFW-SECBINFHSA-N 1 2 224.329 1.597 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@@H](C2CC2)O1 ZINC000280545124 176303539 /nfs/dbraw/zinc/30/35/39/176303539.db2.gz JOPNUAKWTOFVCN-SKDRFNHKSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@H](C2CC2)O1 ZINC000280545124 176303540 /nfs/dbraw/zinc/30/35/40/176303540.db2.gz JOPNUAKWTOFVCN-SKDRFNHKSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3occc3c2)CC(=O)N1 ZINC000295104298 176305001 /nfs/dbraw/zinc/30/50/01/176305001.db2.gz VIKQCQOFBGWUQX-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CC(=O)N1 ZINC000295104298 176305002 /nfs/dbraw/zinc/30/50/02/176305002.db2.gz VIKQCQOFBGWUQX-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cocn2)CC(C)(C)O1 ZINC000191936727 176310712 /nfs/dbraw/zinc/31/07/12/176310712.db2.gz AAZMJPNFLTUAIZ-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cocn2)CC(C)(C)O1 ZINC000191936727 176310713 /nfs/dbraw/zinc/31/07/13/176310713.db2.gz AAZMJPNFLTUAIZ-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1C ZINC000339562027 176314571 /nfs/dbraw/zinc/31/45/71/176314571.db2.gz FXWVWZXIAVLUNA-KBVBSXBZSA-N 1 2 236.290 1.692 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1C ZINC000339562027 176314573 /nfs/dbraw/zinc/31/45/73/176314573.db2.gz FXWVWZXIAVLUNA-KBVBSXBZSA-N 1 2 236.290 1.692 20 0 BDADLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)[C@@H]1C ZINC000339562031 176316416 /nfs/dbraw/zinc/31/64/16/176316416.db2.gz FXWVWZXIAVLUNA-LNLATYFQSA-N 1 2 236.290 1.692 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)[C@@H]1C ZINC000339562031 176316418 /nfs/dbraw/zinc/31/64/18/176316418.db2.gz FXWVWZXIAVLUNA-LNLATYFQSA-N 1 2 236.290 1.692 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)CC[S@@](=O)C1 ZINC000278187604 176319800 /nfs/dbraw/zinc/31/98/00/176319800.db2.gz PZRQQXFKXISOPJ-MEBBXXQBSA-N 1 2 224.329 1.286 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1CO ZINC000276770961 176320366 /nfs/dbraw/zinc/32/03/66/176320366.db2.gz NFSJJDZUIDPPER-KOLCDFICSA-N 1 2 233.315 1.419 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000337491064 176364843 /nfs/dbraw/zinc/36/48/43/176364843.db2.gz NNQVVGCTXNGDRK-KKZNHRDASA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982533 176382644 /nfs/dbraw/zinc/38/26/44/176382644.db2.gz DLXRYOCVSPKMDT-RKDXNWHRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982533 176382646 /nfs/dbraw/zinc/38/26/46/176382646.db2.gz DLXRYOCVSPKMDT-RKDXNWHRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H](CNC(=O)C1CCCC1)Cn1cc[nH+]c1 ZINC000266073696 176671701 /nfs/dbraw/zinc/67/17/01/176671701.db2.gz JFWFAKPUQXIAPP-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H](O)CN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000364864608 176973877 /nfs/dbraw/zinc/97/38/77/176973877.db2.gz PHUSURGAONURFF-JTQLQIEISA-N 1 2 232.287 1.084 20 0 BDADLO CCc1[nH]ccc1C(=O)NCCc1c[nH+]cn1C ZINC000556961048 322932191 /nfs/dbraw/zinc/93/21/91/322932191.db2.gz IQBRIIURVXYFRQ-UHFFFAOYSA-N 1 2 246.314 1.283 20 0 BDADLO C[C@@H](O)[C@H](C)SCc1c[nH+]cn1C ZINC000227770724 177028662 /nfs/dbraw/zinc/02/86/62/177028662.db2.gz JFJFQWCQBWSNQA-SFYZADRCSA-N 1 2 200.307 1.423 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000330503997 177045892 /nfs/dbraw/zinc/04/58/92/177045892.db2.gz GMLLVURYUOYPDB-MWLCHTKSSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000330503997 177045893 /nfs/dbraw/zinc/04/58/93/177045893.db2.gz GMLLVURYUOYPDB-MWLCHTKSSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287011461 177051801 /nfs/dbraw/zinc/05/18/01/177051801.db2.gz RLQDNVPTMDJAAK-PWSUYJOCSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287011461 177051802 /nfs/dbraw/zinc/05/18/02/177051802.db2.gz RLQDNVPTMDJAAK-PWSUYJOCSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCc2sccc2C1 ZINC000286737751 177053686 /nfs/dbraw/zinc/05/36/86/177053686.db2.gz FIVHVVDFIIXSTE-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCc2sccc2C1 ZINC000286737751 177053688 /nfs/dbraw/zinc/05/36/88/177053688.db2.gz FIVHVVDFIIXSTE-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000337464192 177126735 /nfs/dbraw/zinc/12/67/35/177126735.db2.gz LVNRTXUVTMTQIZ-ONGXEEELSA-N 1 2 246.314 1.301 20 0 BDADLO C[C@H]1CCN(C(=O)C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000279235522 177145545 /nfs/dbraw/zinc/14/55/45/177145545.db2.gz RWDMKZVYNASWJK-IUCAKERBSA-N 1 2 243.257 1.558 20 0 BDADLO C[C@H]1CC[C@H](C)N1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302881604 177200154 /nfs/dbraw/zinc/20/01/54/177200154.db2.gz JEHPJCNGOWTWDK-YUMQZZPRSA-N 1 2 246.318 1.323 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2cc[nH]n2)O1 ZINC000336691547 177200889 /nfs/dbraw/zinc/20/08/89/177200889.db2.gz MYXMTCLDKJPANR-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2cc[nH]n2)O1 ZINC000336691547 177200892 /nfs/dbraw/zinc/20/08/92/177200892.db2.gz MYXMTCLDKJPANR-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000356794994 177204889 /nfs/dbraw/zinc/20/48/89/177204889.db2.gz DFFNQYRUDJBCBS-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)NCCCn1cc[nH+]c1 ZINC000297338667 177220623 /nfs/dbraw/zinc/22/06/23/177220623.db2.gz IMBJEZAGTUGMJG-WDEREUQCSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H](C)O1 ZINC000041363422 177243631 /nfs/dbraw/zinc/24/36/31/177243631.db2.gz FGLQGOJMFFNADA-TXEJJXNPSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H](C)O1 ZINC000041363422 177243632 /nfs/dbraw/zinc/24/36/32/177243632.db2.gz FGLQGOJMFFNADA-TXEJJXNPSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1C[N@H+](CCOc2ccccc2)CCC1=O ZINC000042896702 177252761 /nfs/dbraw/zinc/25/27/61/177252761.db2.gz YHBZOMKQQJTVKG-LBPRGKRZSA-N 1 2 233.311 1.976 20 0 BDADLO C[C@H]1C[N@@H+](CCOc2ccccc2)CCC1=O ZINC000042896702 177252762 /nfs/dbraw/zinc/25/27/62/177252762.db2.gz YHBZOMKQQJTVKG-LBPRGKRZSA-N 1 2 233.311 1.976 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccccn2)CCC1=O ZINC000049693641 177254434 /nfs/dbraw/zinc/25/44/34/177254434.db2.gz GAOLVDREYMJYRR-NSHDSACASA-N 1 2 218.300 1.535 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccccn2)CCC1=O ZINC000049693641 177254435 /nfs/dbraw/zinc/25/44/35/177254435.db2.gz GAOLVDREYMJYRR-NSHDSACASA-N 1 2 218.300 1.535 20 0 BDADLO C[C@@H]1CC[C@H](C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)O1 ZINC000362090709 177259349 /nfs/dbraw/zinc/25/93/49/177259349.db2.gz ZTBUDYJVXCSVDC-NOOOWODRSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(Cl)cnn2C)CC[C@H]1O ZINC000336349179 177261332 /nfs/dbraw/zinc/26/13/32/177261332.db2.gz ZWTGFJJYHQXPFY-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(Cl)cnn2C)CC[C@H]1O ZINC000336349179 177261334 /nfs/dbraw/zinc/26/13/34/177261334.db2.gz ZWTGFJJYHQXPFY-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2)CC[S@](=O)C1 ZINC000277497728 177267657 /nfs/dbraw/zinc/26/76/57/177267657.db2.gz NSJGYKRRDREATD-ZBEGNZNMSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2)CC[S@](=O)C1 ZINC000277497728 177267659 /nfs/dbraw/zinc/26/76/59/177267659.db2.gz NSJGYKRRDREATD-ZBEGNZNMSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccon2)C[C@@]2(CCOC2)O1 ZINC000280485903 177268155 /nfs/dbraw/zinc/26/81/55/177268155.db2.gz LWIMBCMQCMHGAK-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccon2)C[C@@]2(CCOC2)O1 ZINC000280485903 177268157 /nfs/dbraw/zinc/26/81/57/177268157.db2.gz LWIMBCMQCMHGAK-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)no2)C[C@@H]1O ZINC000351808217 177270505 /nfs/dbraw/zinc/27/05/05/177270505.db2.gz JBDSDHZLJVIUCE-IUCAKERBSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)no2)C[C@@H]1O ZINC000351808217 177270506 /nfs/dbraw/zinc/27/05/06/177270506.db2.gz JBDSDHZLJVIUCE-IUCAKERBSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccs2)CCCO1 ZINC000179208914 177271725 /nfs/dbraw/zinc/27/17/25/177271725.db2.gz MXUZAHRMPOTTDN-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccs2)CCCO1 ZINC000179208914 177271726 /nfs/dbraw/zinc/27/17/26/177271726.db2.gz MXUZAHRMPOTTDN-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282103797 177274991 /nfs/dbraw/zinc/27/49/91/177274991.db2.gz ISNOLDHRFHVOFT-WDEREUQCSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282103797 177274992 /nfs/dbraw/zinc/27/49/92/177274992.db2.gz ISNOLDHRFHVOFT-WDEREUQCSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCCO1 ZINC000171917982 177277610 /nfs/dbraw/zinc/27/76/10/177277610.db2.gz CNBRGZVYNIHDCJ-JTQLQIEISA-N 1 2 233.315 1.969 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN1CCC=C(F)C1 ZINC000336573893 177290945 /nfs/dbraw/zinc/29/09/45/177290945.db2.gz PFUUIFFPMODYHV-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN1CCC=C(F)C1 ZINC000336573893 177290948 /nfs/dbraw/zinc/29/09/48/177290948.db2.gz PFUUIFFPMODYHV-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H]1COCCN1CC[N@@H+]1CCC=C(F)C1 ZINC000336573893 177290950 /nfs/dbraw/zinc/29/09/50/177290950.db2.gz PFUUIFFPMODYHV-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H]1COCCN1CC[N@H+]1CCC=C(F)C1 ZINC000336573893 177290953 /nfs/dbraw/zinc/29/09/53/177290953.db2.gz PFUUIFFPMODYHV-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1CCCC1 ZINC000355075124 177291001 /nfs/dbraw/zinc/29/10/01/177291001.db2.gz WBTMKPZRIWOODC-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1CCCC1 ZINC000355075124 177291003 /nfs/dbraw/zinc/29/10/03/177291003.db2.gz WBTMKPZRIWOODC-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnn2ccccc12 ZINC000271088847 177293276 /nfs/dbraw/zinc/29/32/76/177293276.db2.gz FIULXHCIUNWHNY-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnn2ccccc12 ZINC000271088847 177293278 /nfs/dbraw/zinc/29/32/78/177293278.db2.gz FIULXHCIUNWHNY-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000337491060 177321836 /nfs/dbraw/zinc/32/18/36/177321836.db2.gz NNQVVGCTXNGDRK-IQJOONFLSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333792996 177330230 /nfs/dbraw/zinc/33/02/30/177330230.db2.gz DSKSXFPJCWMASI-LMLFDSFASA-N 1 2 248.330 1.844 20 0 BDADLO C[C@H]1C[C@@H]1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278504660 177345682 /nfs/dbraw/zinc/34/56/82/177345682.db2.gz XSDAOEQDTLOYMF-NKWVEPMBSA-N 1 2 232.291 1.013 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nncn2C)o1 ZINC000037989095 177351545 /nfs/dbraw/zinc/35/15/45/177351545.db2.gz ALDWFZQPXUJWPO-ONGXEEELSA-N 1 2 246.314 1.821 20 0 BDADLO C[C@H]1C[C@H](C[N@H+](C)CC(F)F)CCO1 ZINC000352727726 177361965 /nfs/dbraw/zinc/36/19/65/177361965.db2.gz TTZAPWQHIXYGAE-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@H]1C[C@H](C[N@@H+](C)CC(F)F)CCO1 ZINC000352727726 177361967 /nfs/dbraw/zinc/36/19/67/177361967.db2.gz TTZAPWQHIXYGAE-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO COCc1cnc(C[N@H+](C)CCCCO)s1 ZINC000471821856 225085452 /nfs/dbraw/zinc/08/54/52/225085452.db2.gz LMLHTGFBGRQXLE-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO COCc1cnc(C[N@@H+](C)CCCCO)s1 ZINC000471821856 225085455 /nfs/dbraw/zinc/08/54/55/225085455.db2.gz LMLHTGFBGRQXLE-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ncnn1CC(F)F ZINC000488206773 225353295 /nfs/dbraw/zinc/35/32/95/225353295.db2.gz WZVATIHXJGCVPA-RKDXNWHRSA-N 1 2 244.289 1.916 20 0 BDADLO COCCSCCC[N@H+](C)Cc1nnc[nH]1 ZINC000488238472 225357315 /nfs/dbraw/zinc/35/73/15/225357315.db2.gz WVYFBRQDNUAZKT-UHFFFAOYSA-N 1 2 244.364 1.006 20 0 BDADLO COCCSCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000488238472 225357319 /nfs/dbraw/zinc/35/73/19/225357319.db2.gz WVYFBRQDNUAZKT-UHFFFAOYSA-N 1 2 244.364 1.006 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000492762961 226047471 /nfs/dbraw/zinc/04/74/71/226047471.db2.gz IKLAMTPDTCEBFK-MAFZHBQHSA-N 1 2 217.272 1.338 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccco1 ZINC000492861755 226068505 /nfs/dbraw/zinc/06/85/05/226068505.db2.gz QEOMXCIYHJVPFX-ARJAWSKDSA-N 1 2 231.255 1.375 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000492867374 226070025 /nfs/dbraw/zinc/07/00/25/226070025.db2.gz RESGLGCYDQMOEK-XXJOZFEBSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCn1cccc1 ZINC000492862836 226070804 /nfs/dbraw/zinc/07/08/04/226070804.db2.gz LEJUPHRRXABCAT-ONEGZZNKSA-N 1 2 230.271 1.041 20 0 BDADLO Cc1cc(CCNC(=O)C=Cc2c[nH]c[nH+]2)on1 ZINC000492930434 226085788 /nfs/dbraw/zinc/08/57/88/226085788.db2.gz VSRLAGBRTAIESX-IHWYPQMZSA-N 1 2 246.270 1.078 20 0 BDADLO Cc1nnc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000493302673 226180473 /nfs/dbraw/zinc/18/04/73/226180473.db2.gz OEVSBDRPMJQLJL-IHWYPQMZSA-N 1 2 235.272 1.222 20 0 BDADLO C[C@H](F)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493324363 226186956 /nfs/dbraw/zinc/18/69/56/226186956.db2.gz PZZLMIUBKVMARW-KZUAUGPASA-N 1 2 211.240 1.287 20 0 BDADLO Cc1cc(NC(=O)C=Cc2ccn(C)c2)cc[nH+]1 ZINC000493097923 226126108 /nfs/dbraw/zinc/12/61/08/226126108.db2.gz YNJMWHXBSYHAND-ONEGZZNKSA-N 1 2 241.294 1.802 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(F)(F)C1 ZINC000493164665 226143145 /nfs/dbraw/zinc/14/31/45/226143145.db2.gz WXVFOVUFXJISCY-OWOJBTEDSA-N 1 2 227.214 1.291 20 0 BDADLO CCc1onc(C)c1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493166990 226144193 /nfs/dbraw/zinc/14/41/93/226144193.db2.gz ZQDWAXCSHBGHRY-SNAWJCMRSA-N 1 2 246.270 1.920 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000495472164 226281372 /nfs/dbraw/zinc/28/13/72/226281372.db2.gz GHWJKJMFRDBVMC-SNVBAGLBSA-N 1 2 244.335 1.232 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000495472164 226281373 /nfs/dbraw/zinc/28/13/73/226281373.db2.gz GHWJKJMFRDBVMC-SNVBAGLBSA-N 1 2 244.335 1.232 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493397235 226205327 /nfs/dbraw/zinc/20/53/27/226205327.db2.gz FTOLHHVLAFZNMY-RTGHZJGBSA-N 1 2 233.315 1.926 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[C@H]1C1CC1 ZINC000493456150 226222342 /nfs/dbraw/zinc/22/23/42/226222342.db2.gz OMJDSMICFYGUDJ-SEUFLZDSSA-N 1 2 231.299 1.585 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493484273 226229240 /nfs/dbraw/zinc/22/92/40/226229240.db2.gz OUHPDYDXBJWZHT-MQQIIUIWSA-N 1 2 219.288 1.822 20 0 BDADLO C[C@@H]1COC[C@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493510872 226235907 /nfs/dbraw/zinc/23/59/07/226235907.db2.gz DNZSFTOPIHNQRI-BZDJSAGESA-N 1 2 235.287 1.059 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1cccnc1 ZINC000493690305 226249385 /nfs/dbraw/zinc/24/93/85/226249385.db2.gz ROLABGHCWHBQQO-SNAWJCMRSA-N 1 2 242.282 1.145 20 0 BDADLO CON(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCC1 ZINC000493727804 226251357 /nfs/dbraw/zinc/25/13/57/226251357.db2.gz SLWBLHLKMLUJLE-VOTSOKGWSA-N 1 2 235.287 1.756 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)NC1(CF)CCC1 ZINC000493752706 226252667 /nfs/dbraw/zinc/25/26/67/226252667.db2.gz KZUUIJMSVJIFLB-IHWYPQMZSA-N 1 2 223.251 1.431 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CF)CCC1 ZINC000493836751 226256516 /nfs/dbraw/zinc/25/65/16/226256516.db2.gz NGMGUYZPCUTWHK-NSCUHMNNSA-N 1 2 223.251 1.431 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)OCC1CC1 ZINC000496448896 226305192 /nfs/dbraw/zinc/30/51/92/226305192.db2.gz DZTMCKXDIDOCSN-VIFPVBQESA-N 1 2 223.276 1.408 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)OC1CCC1 ZINC000496645987 226310356 /nfs/dbraw/zinc/31/03/56/226310356.db2.gz ZCCYXCJPZQUNOP-UHFFFAOYSA-N 1 2 237.303 1.942 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496686848 226311605 /nfs/dbraw/zinc/31/16/05/226311605.db2.gz WIVVREYJBFZMRM-GHMZBOCLSA-N 1 2 249.314 1.315 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H]1CN(C)C(=O)O1 ZINC000496686848 226311606 /nfs/dbraw/zinc/31/16/06/226311606.db2.gz WIVVREYJBFZMRM-GHMZBOCLSA-N 1 2 249.314 1.315 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)n1 ZINC000671628442 487658187 /nfs/dbraw/zinc/65/81/87/487658187.db2.gz DAYQCBBJNCIGND-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)n1 ZINC000671628442 487658188 /nfs/dbraw/zinc/65/81/88/487658188.db2.gz DAYQCBBJNCIGND-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO CN(C)c1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000351410998 487659898 /nfs/dbraw/zinc/65/98/98/487659898.db2.gz TWCNNJVQDSGTLC-UHFFFAOYSA-N 1 2 247.302 1.259 20 0 BDADLO OCC(F)(F)C[NH2+][C@H]1CCCSC1 ZINC000184706952 262743573 /nfs/dbraw/zinc/74/35/73/262743573.db2.gz ZJQBPIKQUWAINO-ZETCQYMHSA-N 1 2 211.277 1.099 20 0 BDADLO COC(C)(C)CNc1nc(C)[nH+]cc1C ZINC000565785331 322939637 /nfs/dbraw/zinc/93/96/37/322939637.db2.gz SGIFVFNFAHGZNT-UHFFFAOYSA-N 1 2 209.293 1.352 20 0 BDADLO CC[C@@H](CSC)NC(=O)Cn1cc[nH+]c1 ZINC000557594185 322939962 /nfs/dbraw/zinc/93/99/62/322939962.db2.gz SLIZOGFNTZJMJJ-VIFPVBQESA-N 1 2 227.333 1.141 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1c(C)onc1CC ZINC000675123389 487671895 /nfs/dbraw/zinc/67/18/95/487671895.db2.gz SJYMPSFFGGIBLX-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1c(C)onc1CC ZINC000675123389 487671891 /nfs/dbraw/zinc/67/18/91/487671891.db2.gz SJYMPSFFGGIBLX-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO CCc1cc(N[C@H](C)c2ccn(C)n2)nc[nH+]1 ZINC000665739671 487672077 /nfs/dbraw/zinc/67/20/77/487672077.db2.gz UIGBSRNKJYTXHH-SECBINFHSA-N 1 2 231.303 1.946 20 0 BDADLO CCc1cc(N[C@@H]2CCc3c[nH]nc3C2)nc[nH+]1 ZINC000675157941 487676033 /nfs/dbraw/zinc/67/60/33/487676033.db2.gz FCZNLUPIKRNPDL-LLVKDONJSA-N 1 2 243.314 1.732 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC12CCC2 ZINC000675282724 487686393 /nfs/dbraw/zinc/68/63/93/487686393.db2.gz KGCRTKUZSIXOSN-LLVKDONJSA-N 1 2 233.315 1.580 20 0 BDADLO CCc1cc(NCc2cc(C)nn2C)nc[nH+]1 ZINC000672283299 487690086 /nfs/dbraw/zinc/69/00/86/487690086.db2.gz UCQOPVDOHZRZLX-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO CCOC1CC(C[N@@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC000671688517 487692370 /nfs/dbraw/zinc/69/23/70/487692370.db2.gz YITSUAJTFGXQFO-HSOILSAZSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1CC(C[N@H+]2CC(F)(F)C[C@@H]2CO)C1 ZINC000671688517 487692375 /nfs/dbraw/zinc/69/23/75/487692375.db2.gz YITSUAJTFGXQFO-HSOILSAZSA-N 1 2 249.301 1.503 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)[nH]n1 ZINC000669700032 487695820 /nfs/dbraw/zinc/69/58/20/487695820.db2.gz QDQZDHGJZOKVIC-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000669700736 487697079 /nfs/dbraw/zinc/69/70/79/487697079.db2.gz BBANSZFBESQNLM-GHMZBOCLSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000669700736 487697084 /nfs/dbraw/zinc/69/70/84/487697084.db2.gz BBANSZFBESQNLM-GHMZBOCLSA-N 1 2 233.315 1.305 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000527934747 262896672 /nfs/dbraw/zinc/89/66/72/262896672.db2.gz KTBDQSUDQKWBMC-NWDGAFQWSA-N 1 2 248.326 1.953 20 0 BDADLO CCOCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671710702 487702018 /nfs/dbraw/zinc/70/20/18/487702018.db2.gz LBRBIMFOEPDPJV-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671710702 487702024 /nfs/dbraw/zinc/70/20/24/487702024.db2.gz LBRBIMFOEPDPJV-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CC(=O)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669704377 487701976 /nfs/dbraw/zinc/70/19/76/487701976.db2.gz RQEHTSVKJRARIP-UHFFFAOYSA-N 1 2 231.255 1.642 20 0 BDADLO Cc1noc(C)c1N(C)Cc1[nH+]ccn1C ZINC000674233473 487704546 /nfs/dbraw/zinc/70/45/46/487704546.db2.gz NIHLHRJAWAZIRU-UHFFFAOYSA-N 1 2 220.276 1.661 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc(N)[nH+]1 ZINC000631165579 487719725 /nfs/dbraw/zinc/71/97/25/487719725.db2.gz NXPHHKGKDVQMKV-OPRDCNLKSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)[nH+]1 ZINC000631165579 487719729 /nfs/dbraw/zinc/71/97/29/487719729.db2.gz NXPHHKGKDVQMKV-OPRDCNLKSA-N 1 2 249.318 1.132 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CC12CCC2 ZINC000675414318 487724064 /nfs/dbraw/zinc/72/40/64/487724064.db2.gz OXWNDDYEVSHVQK-QMMMGPOBSA-N 1 2 218.256 1.338 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000681105711 487725969 /nfs/dbraw/zinc/72/59/69/487725969.db2.gz GRLBWWKJDQUKCG-MROQNXINSA-N 1 2 247.342 1.949 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000681119177 487732092 /nfs/dbraw/zinc/73/20/92/487732092.db2.gz NYPVIYAWLPJDLV-AXFHLTTASA-N 1 2 233.315 1.772 20 0 BDADLO C[C@H]1CCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665698732 487733160 /nfs/dbraw/zinc/73/31/60/487733160.db2.gz RXEMSAXBZCEUJS-DTWKUNHWSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@H]1CCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665698732 487733165 /nfs/dbraw/zinc/73/31/65/487733165.db2.gz RXEMSAXBZCEUJS-DTWKUNHWSA-N 1 2 234.303 1.881 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000088591039 487736869 /nfs/dbraw/zinc/73/68/69/487736869.db2.gz XMNYUHJYDCUXFE-LLVKDONJSA-N 1 2 249.362 1.185 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665719262 487738611 /nfs/dbraw/zinc/73/86/11/487738611.db2.gz QFDGUPTVJWCFAZ-YUMQZZPRSA-N 1 2 220.276 1.491 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665719262 487738615 /nfs/dbraw/zinc/73/86/15/487738615.db2.gz QFDGUPTVJWCFAZ-YUMQZZPRSA-N 1 2 220.276 1.491 20 0 BDADLO C[C@H]1C[C@H](O)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000665722718 487740467 /nfs/dbraw/zinc/74/04/67/487740467.db2.gz IVNKYDZHHANIHC-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1C[C@H](O)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000665722718 487740468 /nfs/dbraw/zinc/74/04/68/487740468.db2.gz IVNKYDZHHANIHC-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nnc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)s1 ZINC000661619676 487754241 /nfs/dbraw/zinc/75/42/41/487754241.db2.gz CBUHFJCMFKPRCO-YUMQZZPRSA-N 1 2 241.360 1.295 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1sccc1OC ZINC000678192745 487754291 /nfs/dbraw/zinc/75/42/91/487754291.db2.gz NKEBWPUJKSSORB-UHFFFAOYSA-N 1 2 242.344 1.325 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1sccc1OC ZINC000678192745 487754296 /nfs/dbraw/zinc/75/42/96/487754296.db2.gz NKEBWPUJKSSORB-UHFFFAOYSA-N 1 2 242.344 1.325 20 0 BDADLO Cn1cccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195017127 487763054 /nfs/dbraw/zinc/76/30/54/487763054.db2.gz IBVZKIOTBIYULU-ZDUSSCGKSA-N 1 2 236.315 1.016 20 0 BDADLO Cn1cccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195017127 487763057 /nfs/dbraw/zinc/76/30/57/487763057.db2.gz IBVZKIOTBIYULU-ZDUSSCGKSA-N 1 2 236.315 1.016 20 0 BDADLO CCOc1nc(C(=O)Nc2cc[nH+]cc2C)co1 ZINC000681263223 487763773 /nfs/dbraw/zinc/76/37/73/487763773.db2.gz KNYYJEQNVYBZFD-UHFFFAOYSA-N 1 2 247.254 1.451 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)CC ZINC000753748056 585268034 /nfs/dbraw/zinc/26/80/34/585268034.db2.gz NSEJKSQEWZVUFS-VIFPVBQESA-N 1 2 215.293 1.239 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)CC ZINC000753748056 585268035 /nfs/dbraw/zinc/26/80/35/585268035.db2.gz NSEJKSQEWZVUFS-VIFPVBQESA-N 1 2 215.293 1.239 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000555074349 487769130 /nfs/dbraw/zinc/76/91/30/487769130.db2.gz PFYWHYHLMXOEFF-ZETCQYMHSA-N 1 2 247.245 1.446 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000555074349 487769135 /nfs/dbraw/zinc/76/91/35/487769135.db2.gz PFYWHYHLMXOEFF-ZETCQYMHSA-N 1 2 247.245 1.446 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000672777848 487768932 /nfs/dbraw/zinc/76/89/32/487768932.db2.gz FEDDXCKRTZSVTI-SECBINFHSA-N 1 2 221.304 1.125 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000555073707 487769285 /nfs/dbraw/zinc/76/92/85/487769285.db2.gz GKQGCTBHDXYXOV-QMMMGPOBSA-N 1 2 234.271 1.957 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000555073707 487769289 /nfs/dbraw/zinc/76/92/89/487769289.db2.gz GKQGCTBHDXYXOV-QMMMGPOBSA-N 1 2 234.271 1.957 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]12C[C@H]1COC2(C)C ZINC000668448402 487770308 /nfs/dbraw/zinc/77/03/08/487770308.db2.gz OOTZKEUKNSTTKY-ZANVPECISA-N 1 2 249.314 1.183 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679223483 487786077 /nfs/dbraw/zinc/78/60/77/487786077.db2.gz PYZBILMJESIHPJ-VXGBXAGGSA-N 1 2 244.354 1.973 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679223483 487786080 /nfs/dbraw/zinc/78/60/80/487786080.db2.gz PYZBILMJESIHPJ-VXGBXAGGSA-N 1 2 244.354 1.973 20 0 BDADLO C[C@H](NC(=O)Nc1cccnn1)c1[nH+]ccn1C ZINC000666320031 487787325 /nfs/dbraw/zinc/78/73/25/487787325.db2.gz JXGPQZRKYXPFRL-QMMMGPOBSA-N 1 2 246.274 1.093 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000359855140 487790530 /nfs/dbraw/zinc/79/05/30/487790530.db2.gz XEXRBYSNDDUVJE-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO CO[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000684210593 487794642 /nfs/dbraw/zinc/79/46/42/487794642.db2.gz LVFDCTZVIVJGKC-LBPRGKRZSA-N 1 2 245.282 1.698 20 0 BDADLO COCCC1C[NH+](Cc2cc(COC)on2)C1 ZINC000668471828 487795413 /nfs/dbraw/zinc/79/54/13/487795413.db2.gz MNIGFVGYXPIAOU-UHFFFAOYSA-N 1 2 240.303 1.289 20 0 BDADLO C[N@@H+]1CCC[C@@H](NC(=O)C(C)(Cl)Cl)C1 ZINC000777388913 585711408 /nfs/dbraw/zinc/71/14/08/585711408.db2.gz OBVNRNMJPNDQHK-SSDOTTSWSA-N 1 2 239.146 1.391 20 0 BDADLO C[N@H+]1CCC[C@@H](NC(=O)C(C)(Cl)Cl)C1 ZINC000777388913 585711409 /nfs/dbraw/zinc/71/14/09/585711409.db2.gz OBVNRNMJPNDQHK-SSDOTTSWSA-N 1 2 239.146 1.391 20 0 BDADLO Cc1c[nH]nc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000669611167 487803763 /nfs/dbraw/zinc/80/37/63/487803763.db2.gz GJILEFYSCHRNQN-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO Cc1nc(N(C)CCC(C)C)nc(N(C)C)[nH+]1 ZINC000676077943 487810580 /nfs/dbraw/zinc/81/05/80/487810580.db2.gz SQJLIPOZHKJXAV-UHFFFAOYSA-N 1 2 237.351 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)CCC(C)C)[nH+]1 ZINC000676077943 487810585 /nfs/dbraw/zinc/81/05/85/487810585.db2.gz SQJLIPOZHKJXAV-UHFFFAOYSA-N 1 2 237.351 1.728 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875311 487811964 /nfs/dbraw/zinc/81/19/64/487811964.db2.gz PIJZUIICQAXJRL-VIFPVBQESA-N 1 2 221.304 1.287 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875311 487811967 /nfs/dbraw/zinc/81/19/67/487811967.db2.gz PIJZUIICQAXJRL-VIFPVBQESA-N 1 2 221.304 1.287 20 0 BDADLO CCOC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000569011234 322942798 /nfs/dbraw/zinc/94/27/98/322942798.db2.gz WWPWVVWPQRLKDX-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO CN(CCCO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669423455 487813646 /nfs/dbraw/zinc/81/36/46/487813646.db2.gz VJIUIFJKGNAKMS-UHFFFAOYSA-N 1 2 248.286 1.180 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000681582101 487817329 /nfs/dbraw/zinc/81/73/29/487817329.db2.gz QBOAGTCMKPOPBH-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1COC(C)(C)C1 ZINC000666493193 487820670 /nfs/dbraw/zinc/82/06/70/487820670.db2.gz SVOUVTXDJQALPI-JTQLQIEISA-N 1 2 249.314 1.501 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C)O)cc[nH+]1 ZINC000666489113 487820489 /nfs/dbraw/zinc/82/04/89/487820489.db2.gz AHJAGPUMDORJQW-ZYHUDNBSSA-N 1 2 249.314 1.189 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]c1)c1cscn1 ZINC000229125911 487822741 /nfs/dbraw/zinc/82/27/41/487822741.db2.gz AFBVSXSQHAAQQY-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000649938107 487823989 /nfs/dbraw/zinc/82/39/89/487823989.db2.gz XXWQVFYLROHMOM-SDDRHHMPSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000649938107 487823992 /nfs/dbraw/zinc/82/39/92/487823992.db2.gz XXWQVFYLROHMOM-SDDRHHMPSA-N 1 2 242.338 1.725 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000681630512 487826744 /nfs/dbraw/zinc/82/67/44/487826744.db2.gz VHKNUXPYBZLVHK-NSHDSACASA-N 1 2 207.277 1.021 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000681630512 487826746 /nfs/dbraw/zinc/82/67/46/487826746.db2.gz VHKNUXPYBZLVHK-NSHDSACASA-N 1 2 207.277 1.021 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC=CCC1 ZINC000681662087 487834004 /nfs/dbraw/zinc/83/40/04/487834004.db2.gz VGBYSFZKTUPGKL-NSHDSACASA-N 1 2 246.314 1.169 20 0 BDADLO COC(=O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000371550589 487839215 /nfs/dbraw/zinc/83/92/15/487839215.db2.gz CWTNJJGVPSHISU-JSGCOSHPSA-N 1 2 249.310 1.527 20 0 BDADLO C[C@H]1CSCC[N@H+](Cc2cnsn2)C1 ZINC000846871015 588294338 /nfs/dbraw/zinc/29/43/38/588294338.db2.gz GSVUOBUDYCAVCC-MRVPVSSYSA-N 1 2 229.374 1.723 20 0 BDADLO C[C@H]1CSCC[N@@H+](Cc2cnsn2)C1 ZINC000846871015 588294339 /nfs/dbraw/zinc/29/43/39/588294339.db2.gz GSVUOBUDYCAVCC-MRVPVSSYSA-N 1 2 229.374 1.723 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878795529 590624301 /nfs/dbraw/zinc/62/43/01/590624301.db2.gz QVBAHBXJADXLJB-UHFFFAOYSA-N 1 2 230.739 1.587 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878795529 590624303 /nfs/dbraw/zinc/62/43/03/590624303.db2.gz QVBAHBXJADXLJB-UHFFFAOYSA-N 1 2 230.739 1.587 20 0 BDADLO C[C@H]1C[C@@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000558592967 322952242 /nfs/dbraw/zinc/95/22/42/322952242.db2.gz MHEYVHBHPPSIAI-DTWKUNHWSA-N 1 2 228.299 1.532 20 0 BDADLO COC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCCC1 ZINC000668498404 487856197 /nfs/dbraw/zinc/85/61/97/487856197.db2.gz QUPBGOYIGUDVHJ-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO COC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CCCC1 ZINC000668498404 487856202 /nfs/dbraw/zinc/85/62/02/487856202.db2.gz QUPBGOYIGUDVHJ-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO COCc1csc(Cn2cc[nH+]c2)n1 ZINC000395562095 487862476 /nfs/dbraw/zinc/86/24/76/487862476.db2.gz GUVSONGWHMNGQW-UHFFFAOYSA-N 1 2 209.274 1.534 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1=CCOCC1 ZINC000334254609 487862528 /nfs/dbraw/zinc/86/25/28/487862528.db2.gz DLUIWJKVAPWIQV-UHFFFAOYSA-N 1 2 232.283 1.351 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C)cn1 ZINC000676555567 487871573 /nfs/dbraw/zinc/87/15/73/487871573.db2.gz ASDXVTJCSCXTEL-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C)cn1 ZINC000676555567 487871575 /nfs/dbraw/zinc/87/15/75/487871575.db2.gz ASDXVTJCSCXTEL-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1nnc(C)o1 ZINC000595702579 487876328 /nfs/dbraw/zinc/87/63/28/487876328.db2.gz XVKQBLHEOLOCCS-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1nnc(C)o1 ZINC000595702579 487876331 /nfs/dbraw/zinc/87/63/31/487876331.db2.gz XVKQBLHEOLOCCS-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C)c[nH+]1 ZINC000676587786 487877563 /nfs/dbraw/zinc/87/75/63/487877563.db2.gz GKGRQBMRFJGVAW-XVKPBYJWSA-N 1 2 204.273 1.715 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC[C@H]1CCCCO1 ZINC000682032357 487884693 /nfs/dbraw/zinc/88/46/93/487884693.db2.gz BYTXLNLYLAHBGS-WDEREUQCSA-N 1 2 249.301 1.648 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC[C@H]1CCCCO1 ZINC000682032357 487884697 /nfs/dbraw/zinc/88/46/97/487884697.db2.gz BYTXLNLYLAHBGS-WDEREUQCSA-N 1 2 249.301 1.648 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCCOC1 ZINC000682034331 487886805 /nfs/dbraw/zinc/88/68/05/487886805.db2.gz XIICXTDMESKBKM-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H]1CCCOC1 ZINC000682034331 487886809 /nfs/dbraw/zinc/88/68/09/487886809.db2.gz XIICXTDMESKBKM-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCCOC[C@H]2C)oc1C ZINC000676711739 487899025 /nfs/dbraw/zinc/89/90/25/487899025.db2.gz HNYSROKNBGCLTC-SECBINFHSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOC[C@H]2C)oc1C ZINC000676711739 487899032 /nfs/dbraw/zinc/89/90/32/487899032.db2.gz HNYSROKNBGCLTC-SECBINFHSA-N 1 2 224.304 1.902 20 0 BDADLO NC(=O)C[N@H+](Cc1nccs1)C1CCCC1 ZINC000676714522 487901759 /nfs/dbraw/zinc/90/17/59/487901759.db2.gz LXQWXBCDRLIPRJ-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO NC(=O)C[N@@H+](Cc1nccs1)C1CCCC1 ZINC000676714522 487901764 /nfs/dbraw/zinc/90/17/64/487901764.db2.gz LXQWXBCDRLIPRJ-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO CCCc1noc(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000676713823 487902114 /nfs/dbraw/zinc/90/21/14/487902114.db2.gz SBSKVSJFWFOMJT-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000676713823 487902117 /nfs/dbraw/zinc/90/21/17/487902117.db2.gz SBSKVSJFWFOMJT-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2(CO)CC2)s1 ZINC000682089816 487908153 /nfs/dbraw/zinc/90/81/53/487908153.db2.gz HOTYDJXOXHZSCU-UHFFFAOYSA-N 1 2 241.360 1.305 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2(CO)CC2)s1 ZINC000682089816 487908158 /nfs/dbraw/zinc/90/81/58/487908158.db2.gz HOTYDJXOXHZSCU-UHFFFAOYSA-N 1 2 241.360 1.305 20 0 BDADLO C[C@@H](CCO)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000652962171 487908356 /nfs/dbraw/zinc/90/83/56/487908356.db2.gz GMJHOGPFZYSZPA-JTQLQIEISA-N 1 2 247.298 1.177 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CCCC2 ZINC000661070302 487914460 /nfs/dbraw/zinc/91/44/60/487914460.db2.gz TZANQWSOSOYYEC-NSHDSACASA-N 1 2 248.330 1.884 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CCCC2 ZINC000661070302 487914462 /nfs/dbraw/zinc/91/44/62/487914462.db2.gz TZANQWSOSOYYEC-NSHDSACASA-N 1 2 248.330 1.884 20 0 BDADLO c1nc2c(s1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC000682169877 487924139 /nfs/dbraw/zinc/92/41/39/487924139.db2.gz OJNWSPISBFGXLF-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO c1nc2c(s1)C[N@@H+](Cc1cn[nH]c1)CC2 ZINC000682169877 487924143 /nfs/dbraw/zinc/92/41/43/487924143.db2.gz OJNWSPISBFGXLF-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)nn1 ZINC000669932890 487936175 /nfs/dbraw/zinc/93/61/75/487936175.db2.gz TYDGMOQYSSOVKR-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)nn1 ZINC000669932890 487936179 /nfs/dbraw/zinc/93/61/79/487936179.db2.gz TYDGMOQYSSOVKR-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO CC[C@@H](NC(=O)c1coc(C)n1)c1[nH]cc[nH+]1 ZINC000682363187 487939134 /nfs/dbraw/zinc/93/91/34/487939134.db2.gz LNMVCZPOSLONER-MRVPVSSYSA-N 1 2 234.259 1.587 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC000676885799 487942208 /nfs/dbraw/zinc/94/22/08/487942208.db2.gz XYOJUEDRMNLFRK-BXKDBHETSA-N 1 2 248.330 1.454 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC000676885809 487942736 /nfs/dbraw/zinc/94/27/36/487942736.db2.gz XYOJUEDRMNLFRK-SKDRFNHKSA-N 1 2 248.330 1.454 20 0 BDADLO c1cn(Cc2nc(C[C@H]3CCCO3)no2)c[nH+]1 ZINC000682375697 487943497 /nfs/dbraw/zinc/94/34/97/487943497.db2.gz LOEXIWHCDZPGSG-SECBINFHSA-N 1 2 234.259 1.036 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccc(O)cc1)C2 ZINC000682404619 487948319 /nfs/dbraw/zinc/94/83/19/487948319.db2.gz ZCSVKRUAXPKXFQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cnc2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000682404619 487948322 /nfs/dbraw/zinc/94/83/22/487948322.db2.gz ZCSVKRUAXPKXFQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cnc2c1CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000682404619 487948324 /nfs/dbraw/zinc/94/83/24/487948324.db2.gz ZCSVKRUAXPKXFQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CCC(C)(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665915643 487949783 /nfs/dbraw/zinc/94/97/83/487949783.db2.gz KCIFTHOUGMMVDH-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO CCC(C)(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665915643 487949785 /nfs/dbraw/zinc/94/97/85/487949785.db2.gz KCIFTHOUGMMVDH-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO Cc1nc(C(=O)NCCNc2cccc[nH+]2)co1 ZINC000669944827 487952291 /nfs/dbraw/zinc/95/22/91/487952291.db2.gz GUNJLKDCCJVQCX-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]cc2C)co1 ZINC000669950253 487956423 /nfs/dbraw/zinc/95/64/23/487956423.db2.gz YIEGRZHEITWPMF-UHFFFAOYSA-N 1 2 217.228 1.361 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCSC)C1CC1 ZINC000154904962 323000290 /nfs/dbraw/zinc/00/02/90/323000290.db2.gz RAFXXYIMQWYKEF-JTQLQIEISA-N 1 2 217.334 1.281 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000128270953 323006658 /nfs/dbraw/zinc/00/66/58/323006658.db2.gz LAVFBJKQMGDASG-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000128270953 323006659 /nfs/dbraw/zinc/00/66/59/323006659.db2.gz LAVFBJKQMGDASG-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000564736679 323014715 /nfs/dbraw/zinc/01/47/15/323014715.db2.gz RIUQGLVJDUDQHO-ZJUUUORDSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000564736679 323014716 /nfs/dbraw/zinc/01/47/16/323014716.db2.gz RIUQGLVJDUDQHO-ZJUUUORDSA-N 1 2 235.331 1.845 20 0 BDADLO Cn1cnnc1C[NH2+]C(C)(C)c1ccccc1F ZINC000562366102 323018152 /nfs/dbraw/zinc/01/81/52/323018152.db2.gz KIIMRKDBLJCJCJ-UHFFFAOYSA-N 1 2 248.305 1.979 20 0 BDADLO COC(=O)c1csc(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000562542331 323023618 /nfs/dbraw/zinc/02/36/18/323023618.db2.gz ZWGQAINHTZQERP-YUMQZZPRSA-N 1 2 240.328 1.912 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)C1CC(=O)C1 ZINC000562556256 323024414 /nfs/dbraw/zinc/02/44/14/323024414.db2.gz CDPDIPBNIYJAJN-UHFFFAOYSA-N 1 2 233.271 1.137 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2c[nH]c[nH+]2)[C@@H]1SC ZINC000562687720 323027747 /nfs/dbraw/zinc/02/77/47/323027747.db2.gz SDQKMTPDNMCRKS-XKSSXDPKSA-N 1 2 227.333 1.731 20 0 BDADLO COC(=O)c1cnoc1C[NH+]1C2CCC1CC2 ZINC000562852641 323032119 /nfs/dbraw/zinc/03/21/19/323032119.db2.gz JIOYJRLBIQFILO-UHFFFAOYSA-N 1 2 236.271 1.588 20 0 BDADLO Cc1cn(C)nc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569700594 323037677 /nfs/dbraw/zinc/03/76/77/323037677.db2.gz CCXIVBRHKGJEPO-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](C)c1cncnc1C ZINC000569825694 323042028 /nfs/dbraw/zinc/04/20/28/323042028.db2.gz UFWPUCWWUPGZQS-JTQLQIEISA-N 1 2 245.330 1.852 20 0 BDADLO Cc1ncc(CNc2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000569938243 323044943 /nfs/dbraw/zinc/04/49/43/323044943.db2.gz YTWFCOFCGSYIDK-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC000570039227 323048060 /nfs/dbraw/zinc/04/80/60/323048060.db2.gz CAUSFTFJPLDWQS-CYBMUJFWSA-N 1 2 248.326 1.593 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCOC[C@H]1CCCO1)C2 ZINC000570039227 323048061 /nfs/dbraw/zinc/04/80/61/323048061.db2.gz CAUSFTFJPLDWQS-CYBMUJFWSA-N 1 2 248.326 1.593 20 0 BDADLO OC[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1O ZINC000317678874 323058152 /nfs/dbraw/zinc/05/81/52/323058152.db2.gz PLJWSZJACFIIJQ-WCQYABFASA-N 1 2 244.294 1.024 20 0 BDADLO Cc1ccncc1NC(=O)Cn1cc[nH+]c1 ZINC000570495710 323061170 /nfs/dbraw/zinc/06/11/70/323061170.db2.gz CAZLSNGYPMGXAE-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO CCC[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000573018781 323061184 /nfs/dbraw/zinc/06/11/84/323061184.db2.gz CVPZXCAUPABKQO-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCN(CCCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570637502 323065599 /nfs/dbraw/zinc/06/55/99/323065599.db2.gz VDDZTUJCNOBSIT-LLVKDONJSA-N 1 2 239.319 1.065 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nn(C)cc1Cl ZINC000570672331 323066701 /nfs/dbraw/zinc/06/67/01/323066701.db2.gz PVVSXNTVKTYISO-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nn(C)cc1Cl ZINC000570672331 323066702 /nfs/dbraw/zinc/06/67/02/323066702.db2.gz PVVSXNTVKTYISO-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCC[C@@H](O)C1 ZINC000570739325 323069121 /nfs/dbraw/zinc/06/91/21/323069121.db2.gz NWHVFETXITYLHY-VXGBXAGGSA-N 1 2 235.331 1.478 20 0 BDADLO CCn1nncc1CNc1ccc(N(C)C)[nH+]c1 ZINC000570812202 323071198 /nfs/dbraw/zinc/07/11/98/323071198.db2.gz RYHXDRZLPDTMIE-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CC(C)(O)CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570855453 323072569 /nfs/dbraw/zinc/07/25/69/323072569.db2.gz UXTGJYAXBQNCRU-UHFFFAOYSA-N 1 2 239.319 1.312 20 0 BDADLO Cc1noc(C)c1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000570866292 323073091 /nfs/dbraw/zinc/07/30/91/323073091.db2.gz FZAYFPMIYJTHCN-UHFFFAOYSA-N 1 2 234.303 1.921 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000570866292 323073092 /nfs/dbraw/zinc/07/30/92/323073092.db2.gz FZAYFPMIYJTHCN-UHFFFAOYSA-N 1 2 234.303 1.921 20 0 BDADLO CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)OC ZINC000572660495 323073175 /nfs/dbraw/zinc/07/31/75/323073175.db2.gz JHFMKWVULQOJBS-GXSJLCMTSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)OC ZINC000572660495 323073176 /nfs/dbraw/zinc/07/31/76/323073176.db2.gz JHFMKWVULQOJBS-GXSJLCMTSA-N 1 2 239.319 1.130 20 0 BDADLO CCC(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000531193879 323085036 /nfs/dbraw/zinc/08/50/36/323085036.db2.gz CAQYNFVYWQONPY-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000531193879 323085037 /nfs/dbraw/zinc/08/50/37/323085037.db2.gz CAQYNFVYWQONPY-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC000041476237 323089334 /nfs/dbraw/zinc/08/93/34/323089334.db2.gz PJWZXJXPVJOSBY-UHFFFAOYSA-N 1 2 233.319 1.990 20 0 BDADLO Cc1cncc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000570984115 323102707 /nfs/dbraw/zinc/10/27/07/323102707.db2.gz SAXSEZJFVIZSGV-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO CCCC[C@@H]([NH2+]CC1(CC)COC1)C(=O)OC ZINC000394005354 323105211 /nfs/dbraw/zinc/10/52/11/323105211.db2.gz QZQLLDZZJUDULI-LLVKDONJSA-N 1 2 243.347 1.734 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C(F)F ZINC000563283992 323108293 /nfs/dbraw/zinc/10/82/93/323108293.db2.gz FPIQFOUIIQRXLJ-ZETCQYMHSA-N 1 2 217.219 1.043 20 0 BDADLO CCO[C@@H](CC)C(=O)Nc1cc[nH+]cc1CC ZINC000531547122 323109299 /nfs/dbraw/zinc/10/92/99/323109299.db2.gz ZTPITQLSVGCANS-LBPRGKRZSA-N 1 2 236.315 1.820 20 0 BDADLO Cc1cc(NC(=O)c2cncnc2C)c(C)c[nH+]1 ZINC000534299033 323115757 /nfs/dbraw/zinc/11/57/57/323115757.db2.gz AWFUBTPBMQLHNZ-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[C@@H]1C ZINC000563398141 323122882 /nfs/dbraw/zinc/12/28/82/323122882.db2.gz OZNZYWALXCTLMV-UTLUCORTSA-N 1 2 221.304 1.455 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[C@@H]1C ZINC000563398141 323122883 /nfs/dbraw/zinc/12/28/83/323122883.db2.gz OZNZYWALXCTLMV-UTLUCORTSA-N 1 2 221.304 1.455 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1(O)CCCC1 ZINC000563415501 323123436 /nfs/dbraw/zinc/12/34/36/323123436.db2.gz CPCTZLPVHZELTE-UHFFFAOYSA-N 1 2 221.304 1.232 20 0 BDADLO CC(=O)CCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000563542677 323129651 /nfs/dbraw/zinc/12/96/51/323129651.db2.gz ZADSXGJQAZQSEN-UHFFFAOYSA-N 1 2 237.303 1.439 20 0 BDADLO CCCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000571518992 323146835 /nfs/dbraw/zinc/14/68/35/323146835.db2.gz FIRFBNPJSVJSJS-UHFFFAOYSA-N 1 2 222.336 1.924 20 0 BDADLO CCCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000571518992 323146836 /nfs/dbraw/zinc/14/68/36/323146836.db2.gz FIRFBNPJSVJSJS-UHFFFAOYSA-N 1 2 222.336 1.924 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)C(C)C ZINC000229997786 323161339 /nfs/dbraw/zinc/16/13/39/323161339.db2.gz PMRBZLQHHAGONV-SECBINFHSA-N 1 2 210.277 1.519 20 0 BDADLO CCn1c[nH+]cc1CN(C)CC(F)F ZINC000417749223 323182518 /nfs/dbraw/zinc/18/25/18/323182518.db2.gz FHDCRJCVAHVVSX-UHFFFAOYSA-N 1 2 203.236 1.600 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ncn(C)n1 ZINC000391982156 323183812 /nfs/dbraw/zinc/18/38/12/323183812.db2.gz OXDBSWWKSNERSR-SNVBAGLBSA-N 1 2 246.314 1.158 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1ncccc1O ZINC000518836609 323184594 /nfs/dbraw/zinc/18/45/94/323184594.db2.gz IMSZWRYJJSVTCV-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cc1cc(N2C[C@H](C)C[C@@H](CO)C2)nc[nH+]1 ZINC000398624266 323187383 /nfs/dbraw/zinc/18/73/83/323187383.db2.gz LJYDMDKBKAZHDL-MWLCHTKSSA-N 1 2 221.304 1.240 20 0 BDADLO CCc1cnc(CN(C)Cc2[nH+]ccn2C)o1 ZINC000535653055 323187723 /nfs/dbraw/zinc/18/77/23/323187723.db2.gz FWFHNQIAJSJEHV-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO Cc1cnn(CC(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000535749162 323190375 /nfs/dbraw/zinc/19/03/75/323190375.db2.gz OQVFLCAUKBIIFN-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO Cc1cc(NC(=O)NC2CC2)c(C)c[nH+]1 ZINC000535774801 323190986 /nfs/dbraw/zinc/19/09/86/323190986.db2.gz JPZULPUJODGURX-UHFFFAOYSA-N 1 2 205.261 1.404 20 0 BDADLO CCn1cc[nH+]c1CNc1cccnc1OC ZINC000051922559 323191876 /nfs/dbraw/zinc/19/18/76/323191876.db2.gz VKTDCNRMOUIDRL-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO CCOC1(C)C[NH+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000398869832 323194199 /nfs/dbraw/zinc/19/41/99/323194199.db2.gz DSROJMCQEKCVLL-SECBINFHSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000532122330 323206545 /nfs/dbraw/zinc/20/65/45/323206545.db2.gz CRKLHGIQRCCFLL-UHFFFAOYSA-N 1 2 205.261 1.067 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@](C)(O)CC1 ZINC000230372699 323214127 /nfs/dbraw/zinc/21/41/27/323214127.db2.gz ABEWYMFKENOUQE-CYBMUJFWSA-N 1 2 236.315 1.832 20 0 BDADLO Cc1nc(N[C@H]2CC23CCOCC3)cc[nH+]1 ZINC000395633309 323233997 /nfs/dbraw/zinc/23/39/97/323233997.db2.gz FBBMQUHOSOWHHO-JTQLQIEISA-N 1 2 219.288 1.766 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)oc1C ZINC000532616931 323280087 /nfs/dbraw/zinc/28/00/87/323280087.db2.gz HCGAMJIDYCSBRP-UHFFFAOYSA-N 1 2 233.271 1.592 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000532763785 323294300 /nfs/dbraw/zinc/29/43/00/323294300.db2.gz JARCMIAOYIORBI-SNVBAGLBSA-N 1 2 245.326 1.504 20 0 BDADLO CCC(CC)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418083969 323347702 /nfs/dbraw/zinc/34/77/02/323347702.db2.gz OBMFXORYZLJLHJ-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO Cn1nncc1C[N@H+](C)Cc1cccc(O)c1 ZINC000532934255 323398410 /nfs/dbraw/zinc/39/84/10/323398410.db2.gz MOBRYGZDBYJYFJ-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1nncc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000532934255 323398413 /nfs/dbraw/zinc/39/84/13/323398413.db2.gz MOBRYGZDBYJYFJ-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO CC(C)=CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000571804607 323484015 /nfs/dbraw/zinc/48/40/15/323484015.db2.gz VWDJJEQSBFLYQS-LBPRGKRZSA-N 1 2 247.342 1.918 20 0 BDADLO CCC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000571853233 323493521 /nfs/dbraw/zinc/49/35/21/323493521.db2.gz NHMVAESLSSMZSB-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO CCC[C@@H](C)c1cc(=NC(=O)[C@H](C)[NH2+]C)[nH][nH]1 ZINC000571894981 323500691 /nfs/dbraw/zinc/50/06/91/323500691.db2.gz OCDQGVFDOJEWDC-BDAKNGLRSA-N 1 2 238.335 1.282 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000571923655 323503546 /nfs/dbraw/zinc/50/35/46/323503546.db2.gz XQGWBYZNCSKBDJ-SRVKXCTJSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)co1 ZINC000161565604 323550725 /nfs/dbraw/zinc/55/07/25/323550725.db2.gz YOHUVFZFTMOUOL-MRVPVSSYSA-N 1 2 219.244 1.802 20 0 BDADLO CNC(=O)[C@@]1(C)CCN(c2[nH+]cccc2OC)C1 ZINC000527996952 323733674 /nfs/dbraw/zinc/73/36/74/323733674.db2.gz RPTUBPXKVNDFPQ-ZDUSSCGKSA-N 1 2 249.314 1.053 20 0 BDADLO C[C@@H]1CC[C@@H](c2noc(C[NH+](C)C)n2)O1 ZINC000528239568 323792365 /nfs/dbraw/zinc/79/23/65/323792365.db2.gz PHSBZDLNFGSREQ-SFYZADRCSA-N 1 2 211.265 1.371 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)[nH]1 ZINC000537049000 324001091 /nfs/dbraw/zinc/00/10/91/324001091.db2.gz ODCZKAKCGWFEHN-LLVKDONJSA-N 1 2 244.298 1.327 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@@H]2Cc2ccccc2)[nH]1 ZINC000537049000 324001093 /nfs/dbraw/zinc/00/10/93/324001093.db2.gz ODCZKAKCGWFEHN-LLVKDONJSA-N 1 2 244.298 1.327 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccccc1 ZINC000060613014 324044151 /nfs/dbraw/zinc/04/41/51/324044151.db2.gz TVLKGOFUEWJQID-UHFFFAOYSA-N 1 2 215.256 1.912 20 0 BDADLO CCn1ccnc1CNc1ccc(N(C)C)c[nH+]1 ZINC000537320223 324064641 /nfs/dbraw/zinc/06/46/41/324064641.db2.gz DQNGJOIGBOAGLU-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO COC(=O)CSCc1c[nH+]c2ccccn12 ZINC000537429724 324071387 /nfs/dbraw/zinc/07/13/87/324071387.db2.gz BLNNHHSBHXMVLK-UHFFFAOYSA-N 1 2 236.296 1.741 20 0 BDADLO Cc1ncc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000572487311 324127540 /nfs/dbraw/zinc/12/75/40/324127540.db2.gz AUHFZRKBTHIDGQ-SECBINFHSA-N 1 2 248.286 1.447 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@H]1CCOC1 ZINC000162967577 324175623 /nfs/dbraw/zinc/17/56/23/324175623.db2.gz BSVDEGRXDWNREC-UWVGGRQHSA-N 1 2 222.288 1.927 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2cccnn2)c2[nH+]ccn21 ZINC000529457014 324304690 /nfs/dbraw/zinc/30/46/90/324304690.db2.gz IGUSCBBQJXOTIW-WCBMZHEXSA-N 1 2 243.270 1.109 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@@H]1C)c1[nH+]ccn1C ZINC000667256899 487962831 /nfs/dbraw/zinc/96/28/31/487962831.db2.gz WTDADTNKXUKQOX-DTWKUNHWSA-N 1 2 222.292 1.285 20 0 BDADLO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1csnn1 ZINC000529644718 324370422 /nfs/dbraw/zinc/37/04/22/324370422.db2.gz NWOQMKKBEKFAHT-OIBJUYFYSA-N 1 2 225.317 1.195 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+]CC(F)(F)CO)OC ZINC000639053435 487965053 /nfs/dbraw/zinc/96/50/53/487965053.db2.gz HJNRZFVGFAXUPT-DTWKUNHWSA-N 1 2 225.279 1.265 20 0 BDADLO CCCc1nnnn1Cc1cc(OC)cc(C)[nH+]1 ZINC000538754963 324757694 /nfs/dbraw/zinc/75/76/94/324757694.db2.gz QXDOSCXCOMZRFA-UHFFFAOYSA-N 1 2 247.302 1.386 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCOC[C@H]1C ZINC000564225644 324877211 /nfs/dbraw/zinc/87/72/11/324877211.db2.gz KJQGRZLLHXMXJL-KOLCDFICSA-N 1 2 221.304 1.930 20 0 BDADLO CCc1cnc(C[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000542057679 325006940 /nfs/dbraw/zinc/00/69/40/325006940.db2.gz CAZSHUHVLLVCHM-UHFFFAOYSA-N 1 2 236.315 1.849 20 0 BDADLO CCc1cnc(C[N@H+]2CCOCC3(CC3)C2)o1 ZINC000542057679 325006944 /nfs/dbraw/zinc/00/69/44/325006944.db2.gz CAZSHUHVLLVCHM-UHFFFAOYSA-N 1 2 236.315 1.849 20 0 BDADLO Cc1oncc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000130384633 325046497 /nfs/dbraw/zinc/04/64/97/325046497.db2.gz CHVPJMKSZWEZBX-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1oncc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130384633 325046502 /nfs/dbraw/zinc/04/65/02/325046502.db2.gz CHVPJMKSZWEZBX-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)c1ccsc1 ZINC000543409335 325086936 /nfs/dbraw/zinc/08/69/36/325086936.db2.gz QLRXWQIEAXBQFO-UHFFFAOYSA-N 1 2 235.312 1.454 20 0 BDADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCOC1 ZINC000543754636 325110411 /nfs/dbraw/zinc/11/04/11/325110411.db2.gz GQTWRJOZQPQUQQ-ZDUSSCGKSA-N 1 2 249.314 1.083 20 0 BDADLO Cn1nncc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000543852582 325118313 /nfs/dbraw/zinc/11/83/13/325118313.db2.gz VBPBJNSPRSOPRG-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO C[C@H](Cc1ccsc1)[NH+]1CCS(=O)CC1 ZINC000544014067 325126958 /nfs/dbraw/zinc/12/69/58/325126958.db2.gz RXKYZHBYTKAIJG-SNVBAGLBSA-N 1 2 243.397 1.743 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)Nc1ccccn1 ZINC000544411774 325142431 /nfs/dbraw/zinc/14/24/31/325142431.db2.gz GABPOEMZFVTKPE-UHFFFAOYSA-N 1 2 245.286 1.179 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000131577089 325165242 /nfs/dbraw/zinc/16/52/42/325165242.db2.gz YWKJRCBGGVNQTP-YPMHNXCESA-N 1 2 235.331 1.826 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@@H](CC)C(=O)OCC)CCO1 ZINC000131939813 325192192 /nfs/dbraw/zinc/19/21/92/325192192.db2.gz AEGDPDMCRYRDRS-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)n1 ZINC000545220751 325195590 /nfs/dbraw/zinc/19/55/90/325195590.db2.gz ZBCTZSHZDMQWLY-LBPRGKRZSA-N 1 2 247.273 1.783 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)NCC(C)C)CCO1 ZINC000132079056 325197406 /nfs/dbraw/zinc/19/74/06/325197406.db2.gz KHKTXKUHXVYOND-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)CCO1 ZINC000132079056 325197408 /nfs/dbraw/zinc/19/74/08/325197408.db2.gz KHKTXKUHXVYOND-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2[nH]cnc21 ZINC000132366450 325213271 /nfs/dbraw/zinc/21/32/71/325213271.db2.gz LHAVZNZZYPVCEC-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO CN(c1nc(N)c2ccccc2[nH+]1)C1CC(O)C1 ZINC000545347596 325215393 /nfs/dbraw/zinc/21/53/93/325215393.db2.gz UGVNZIZMWOWEKW-UHFFFAOYSA-N 1 2 244.298 1.002 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)CC1(O)CCC1 ZINC000545384742 325217338 /nfs/dbraw/zinc/21/73/38/325217338.db2.gz DUYIDHYXBQPSHV-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)CC1(O)CCC1 ZINC000545384742 325217341 /nfs/dbraw/zinc/21/73/41/325217341.db2.gz DUYIDHYXBQPSHV-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CCCc1nc(C(=O)NCc2[nH]c[nH+]c2C)co1 ZINC000546088256 325264851 /nfs/dbraw/zinc/26/48/51/325264851.db2.gz BCKQJFTYPLKFLL-UHFFFAOYSA-N 1 2 248.286 1.589 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@]2(C)CO)cc[nH+]1 ZINC000546148426 325268336 /nfs/dbraw/zinc/26/83/36/325268336.db2.gz QRDZJWLXVONHOY-ZDUSSCGKSA-N 1 2 249.314 1.191 20 0 BDADLO C[C@H]1OCC[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000546550391 325287004 /nfs/dbraw/zinc/28/70/04/325287004.db2.gz FMZUFZODFZWRMO-PSASIEDQSA-N 1 2 248.286 1.286 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccc(N)n2)C[C@H](C)S1 ZINC000135104144 325393475 /nfs/dbraw/zinc/39/34/75/325393475.db2.gz VQQFYLOZBBIQFQ-DTORHVGOSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccc(N)n2)C[C@H](C)S1 ZINC000135104144 325393478 /nfs/dbraw/zinc/39/34/78/325393478.db2.gz VQQFYLOZBBIQFQ-DTORHVGOSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@H]1C[NH+](Cc2nccc(N)n2)C[C@H](C)S1 ZINC000135104164 325393608 /nfs/dbraw/zinc/39/36/08/325393608.db2.gz VQQFYLOZBBIQFQ-IUCAKERBSA-N 1 2 238.360 1.385 20 0 BDADLO CCCc1nnnn1Cc1ccc(C)[nH+]c1C ZINC000548470017 325461640 /nfs/dbraw/zinc/46/16/40/325461640.db2.gz IIISOMKKCMLRLY-UHFFFAOYSA-N 1 2 231.303 1.686 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnnn1C(C)(C)C ZINC000548753146 325478215 /nfs/dbraw/zinc/47/82/15/325478215.db2.gz SGFJQBVGNABMOA-IUCAKERBSA-N 1 2 223.324 1.411 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC12CCCCC2 ZINC000552353324 325623986 /nfs/dbraw/zinc/62/39/86/325623986.db2.gz LLOBNVBLSWADGF-NSHDSACASA-N 1 2 233.315 1.722 20 0 BDADLO COC(=O)CSCc1c[nH+]ccc1OC ZINC000553379553 325688544 /nfs/dbraw/zinc/68/85/44/325688544.db2.gz QVMUFHNYYHIFEV-UHFFFAOYSA-N 1 2 227.285 1.496 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cc(C)on2)[nH]1 ZINC000093085390 325731052 /nfs/dbraw/zinc/73/10/52/325731052.db2.gz SKINRCHVPZQVAT-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC[C@H](C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000555893953 325773235 /nfs/dbraw/zinc/77/32/35/325773235.db2.gz BVXCIKFTXKSPIO-GFCCVEGCSA-N 1 2 249.358 1.798 20 0 BDADLO CCC1(CNc2[nH+]c(C)nc3[nH]ccc32)COC1 ZINC000556240755 325786935 /nfs/dbraw/zinc/78/69/35/325786935.db2.gz BSXLMSFFJJBXEL-UHFFFAOYSA-N 1 2 246.314 1.527 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682492581 487970644 /nfs/dbraw/zinc/97/06/44/487970644.db2.gz BCANVJBXQWWNMC-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H]([C@@H](C)O)C1 ZINC000565229418 325881908 /nfs/dbraw/zinc/88/19/08/325881908.db2.gz MTDBWWNVTXJWHX-PWSUYJOCSA-N 1 2 235.331 1.691 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000565758710 325952100 /nfs/dbraw/zinc/95/21/00/325952100.db2.gz HUQGFXGPKZUHEA-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000565758707 325952306 /nfs/dbraw/zinc/95/23/06/325952306.db2.gz HUQGFXGPKZUHEA-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1cnn(CC[N@@H+]2Cc3cccnc3C2)c1 ZINC000566138865 326001852 /nfs/dbraw/zinc/00/18/52/326001852.db2.gz RVKMPACHWAMIJS-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cnn(CC[N@H+]2Cc3cccnc3C2)c1 ZINC000566138865 326001853 /nfs/dbraw/zinc/00/18/53/326001853.db2.gz RVKMPACHWAMIJS-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO C[C@H](CC(=O)N(C)c1ncccn1)n1cc[nH+]c1 ZINC000566302812 326031015 /nfs/dbraw/zinc/03/10/15/326031015.db2.gz AFISLBULGDFMDK-SNVBAGLBSA-N 1 2 245.286 1.287 20 0 BDADLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000566304783 326031485 /nfs/dbraw/zinc/03/14/85/326031485.db2.gz QDGYVUWFRNQRKB-IJLUTSLNSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000566428417 326045217 /nfs/dbraw/zinc/04/52/17/326045217.db2.gz FOPCKDPPGSTZLG-JTQLQIEISA-N 1 2 244.335 1.930 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000566428417 326045218 /nfs/dbraw/zinc/04/52/18/326045218.db2.gz FOPCKDPPGSTZLG-JTQLQIEISA-N 1 2 244.335 1.930 20 0 BDADLO COc1ccc[nH+]c1NCCN1CCCC1=O ZINC000405474901 326114406 /nfs/dbraw/zinc/11/44/06/326114406.db2.gz HAFHQXFSJWTPHW-UHFFFAOYSA-N 1 2 235.287 1.125 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)nc1 ZINC000153844083 326115572 /nfs/dbraw/zinc/11/55/72/326115572.db2.gz YSKHXSAREFMTCB-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153844083 326115574 /nfs/dbraw/zinc/11/55/74/326115574.db2.gz YSKHXSAREFMTCB-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC(C(C)C)C(C)C)[C@@H](C)O ZINC000567130130 326121771 /nfs/dbraw/zinc/12/17/71/326121771.db2.gz XLYLVBFUVHESMH-PWSUYJOCSA-N 1 2 245.363 1.427 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1nnc(C2CC2)s1 ZINC000567158093 326125732 /nfs/dbraw/zinc/12/57/32/326125732.db2.gz GRTXFBNNFJFCRW-UHFFFAOYSA-N 1 2 249.299 1.251 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)oc1C ZINC000567346200 326169308 /nfs/dbraw/zinc/16/93/08/326169308.db2.gz JSJCGEZJWYIJKS-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO Cc1cc(C)c(C(=O)NCCCn2cc[nH+]c2)[nH]1 ZINC000155450246 326196565 /nfs/dbraw/zinc/19/65/65/326196565.db2.gz JPEYIFFSMWOAOG-UHFFFAOYSA-N 1 2 246.314 1.648 20 0 BDADLO C[C@H]([C@H](C)NC(=O)C1(C)CC1)[NH+]1CCOCC1 ZINC000155572159 326201162 /nfs/dbraw/zinc/20/11/62/326201162.db2.gz FDVPRHQUBQPXSA-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000567484593 326202045 /nfs/dbraw/zinc/20/20/45/326202045.db2.gz UGYIRILIJYGASA-RKDXNWHRSA-N 1 2 237.303 1.196 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2nc[nH]n2)C[C@H](C)O1 ZINC000567522664 326210177 /nfs/dbraw/zinc/21/01/77/326210177.db2.gz WYINEBMARNKDNK-DTORHVGOSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2nc[nH]n2)C[C@H](C)O1 ZINC000567522664 326210182 /nfs/dbraw/zinc/21/01/82/326210182.db2.gz WYINEBMARNKDNK-DTORHVGOSA-N 1 2 242.348 1.006 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2ccno2)o1 ZINC000567663435 326240745 /nfs/dbraw/zinc/24/07/45/326240745.db2.gz QRUJMLYAJGWSNS-UHFFFAOYSA-N 1 2 236.271 1.571 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2ccno2)o1 ZINC000567663435 326240746 /nfs/dbraw/zinc/24/07/46/326240746.db2.gz QRUJMLYAJGWSNS-UHFFFAOYSA-N 1 2 236.271 1.571 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC2(CCC2)C1 ZINC000567943542 326286561 /nfs/dbraw/zinc/28/65/61/326286561.db2.gz OQSDXXNSTXLEOV-NSHDSACASA-N 1 2 247.342 1.968 20 0 BDADLO C[C@H](CC(=O)N(C)c1cnn(C)c1)n1cc[nH+]c1 ZINC000567993260 326293173 /nfs/dbraw/zinc/29/31/73/326293173.db2.gz JIDQFYMYLNZNFO-SNVBAGLBSA-N 1 2 247.302 1.231 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000568039159 326299286 /nfs/dbraw/zinc/29/92/86/326299286.db2.gz FJMPWBGERCLGHN-SNVBAGLBSA-N 1 2 223.320 1.513 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568185053 326322648 /nfs/dbraw/zinc/32/26/48/326322648.db2.gz RMPZXSBXYCSXPA-IUCAKERBSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568185053 326322649 /nfs/dbraw/zinc/32/26/49/326322649.db2.gz RMPZXSBXYCSXPA-IUCAKERBSA-N 1 2 209.293 1.503 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCC1 ZINC000568184699 326322718 /nfs/dbraw/zinc/32/27/18/326322718.db2.gz FNVRPCAWYWCFSL-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCC1 ZINC000568184699 326322720 /nfs/dbraw/zinc/32/27/20/326322720.db2.gz FNVRPCAWYWCFSL-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](F)C1 ZINC000568222875 326328888 /nfs/dbraw/zinc/32/88/88/326328888.db2.gz DYBTXZGEBNIDHZ-NXEZZACHSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](F)C1 ZINC000568222875 326328891 /nfs/dbraw/zinc/32/88/91/326328891.db2.gz DYBTXZGEBNIDHZ-NXEZZACHSA-N 1 2 239.294 1.549 20 0 BDADLO CCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000568664104 326371882 /nfs/dbraw/zinc/37/18/82/326371882.db2.gz IYWZBSJQFBHCEN-SFYZADRCSA-N 1 2 208.265 1.208 20 0 BDADLO C[C@@]12C[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000568720848 326373422 /nfs/dbraw/zinc/37/34/22/326373422.db2.gz DZCICXZYCORFJN-QYTUQVAYSA-N 1 2 246.314 1.154 20 0 BDADLO C[C@@]12C[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000568720848 326373424 /nfs/dbraw/zinc/37/34/24/326373424.db2.gz DZCICXZYCORFJN-QYTUQVAYSA-N 1 2 246.314 1.154 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC2CCC1CC2 ZINC000568767604 326376441 /nfs/dbraw/zinc/37/64/41/326376441.db2.gz WINBZMRMRLSTBG-WXRRBKDZSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000569061793 326388317 /nfs/dbraw/zinc/38/83/17/326388317.db2.gz VUMOVZQEDRPQSD-ZJUUUORDSA-N 1 2 225.292 1.368 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000569061793 326388318 /nfs/dbraw/zinc/38/83/18/326388318.db2.gz VUMOVZQEDRPQSD-ZJUUUORDSA-N 1 2 225.292 1.368 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000569180477 326393682 /nfs/dbraw/zinc/39/36/82/326393682.db2.gz FIMWGWAHKUZOMF-NSHDSACASA-N 1 2 246.314 1.881 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000569180477 326393683 /nfs/dbraw/zinc/39/36/83/326393683.db2.gz FIMWGWAHKUZOMF-NSHDSACASA-N 1 2 246.314 1.881 20 0 BDADLO CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000572964773 326421578 /nfs/dbraw/zinc/42/15/78/326421578.db2.gz YPBJZCAPNSJKEL-VHSXEESVSA-N 1 2 209.293 1.749 20 0 BDADLO CCN1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1=O ZINC000669973207 487973609 /nfs/dbraw/zinc/97/36/09/487973609.db2.gz UKFJEGAOGHFZPP-SNVBAGLBSA-N 1 2 246.314 1.387 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CC=CC1 ZINC000672147606 487973951 /nfs/dbraw/zinc/97/39/51/487973951.db2.gz RBARGVSNMWANRU-LLVKDONJSA-N 1 2 231.299 1.280 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC=CCC1 ZINC000682527950 487977571 /nfs/dbraw/zinc/97/75/71/487977571.db2.gz WWXBGTXCPBRHRK-LLVKDONJSA-N 1 2 231.299 1.234 20 0 BDADLO O[C@H]1C[N@H+](CCC2CC2)CC(F)(F)C1 ZINC000682543694 487982377 /nfs/dbraw/zinc/98/23/77/487982377.db2.gz JXYIGYFIFRWAHU-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@H]1C[N@@H+](CCC2CC2)CC(F)(F)C1 ZINC000682543694 487982382 /nfs/dbraw/zinc/98/23/82/487982382.db2.gz JXYIGYFIFRWAHU-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](O)[C@H]2C)c(C)c[nH+]1 ZINC000652797132 487984883 /nfs/dbraw/zinc/98/48/83/487984883.db2.gz KAOFXKXIGNHZNV-ZYHUDNBSSA-N 1 2 249.314 1.107 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](O)CC(F)(F)C2)CCO1 ZINC000682558312 487989114 /nfs/dbraw/zinc/98/91/14/487989114.db2.gz KSIKHKVTOURWKM-OUAUKWLOSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2C[C@H](O)CC(F)(F)C2)CCO1 ZINC000682558312 487989117 /nfs/dbraw/zinc/98/91/17/487989117.db2.gz KSIKHKVTOURWKM-OUAUKWLOSA-N 1 2 249.301 1.503 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCOCC12CC2 ZINC000670008969 487991094 /nfs/dbraw/zinc/99/10/94/487991094.db2.gz NIYOPIDUCXJAPO-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn(C)nn2)cs1 ZINC000661744732 488010449 /nfs/dbraw/zinc/01/04/49/488010449.db2.gz ZGLLTVBXOQBZJU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn(C)nn2)cs1 ZINC000661744732 488010451 /nfs/dbraw/zinc/01/04/51/488010451.db2.gz ZGLLTVBXOQBZJU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)C2CCC2)[nH+]1 ZINC000677308290 488012483 /nfs/dbraw/zinc/01/24/83/488012483.db2.gz ALOWNTFYUVKSFP-MRVPVSSYSA-N 1 2 235.335 1.847 20 0 BDADLO Cc1nc(N[C@H](C)C2CCC2)nc(N(C)C)[nH+]1 ZINC000677308290 488012486 /nfs/dbraw/zinc/01/24/86/488012486.db2.gz ALOWNTFYUVKSFP-MRVPVSSYSA-N 1 2 235.335 1.847 20 0 BDADLO C[C@]1(O)CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000235750930 488013260 /nfs/dbraw/zinc/01/32/60/488013260.db2.gz YZNKHUGBHDSKFG-ZDUSSCGKSA-N 1 2 237.274 1.465 20 0 BDADLO C[C@]1(O)CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000235750930 488013268 /nfs/dbraw/zinc/01/32/68/488013268.db2.gz YZNKHUGBHDSKFG-ZDUSSCGKSA-N 1 2 237.274 1.465 20 0 BDADLO COC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001172743004 974920286 /nfs/dbraw/zinc/92/02/86/974920286.db2.gz WTNONIGKBQKJGQ-UHFFFAOYSA-N 1 2 236.262 1.414 20 0 BDADLO COC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001172743004 974920293 /nfs/dbraw/zinc/92/02/93/974920293.db2.gz WTNONIGKBQKJGQ-UHFFFAOYSA-N 1 2 236.262 1.414 20 0 BDADLO OCc1ccc(C[NH2+]Cc2ccc(F)cn2)o1 ZINC000675646156 488024932 /nfs/dbraw/zinc/02/49/32/488024932.db2.gz XXLJYDGPSQAGBM-UHFFFAOYSA-N 1 2 236.246 1.596 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667492340 488025796 /nfs/dbraw/zinc/02/57/96/488025796.db2.gz DUUSHTYWXKEISE-LLVKDONJSA-N 1 2 235.331 1.514 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667492340 488025801 /nfs/dbraw/zinc/02/58/01/488025801.db2.gz DUUSHTYWXKEISE-LLVKDONJSA-N 1 2 235.331 1.514 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000668634797 488033912 /nfs/dbraw/zinc/03/39/12/488033912.db2.gz CNXUNPZPUGESIR-PWSUYJOCSA-N 1 2 234.299 1.566 20 0 BDADLO CCCn1nccc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000667517994 488036617 /nfs/dbraw/zinc/03/66/17/488036617.db2.gz LSZMEJKWSVGQHX-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000667517994 488036621 /nfs/dbraw/zinc/03/66/21/488036621.db2.gz LSZMEJKWSVGQHX-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)CO1 ZINC000667517940 488036990 /nfs/dbraw/zinc/03/69/90/488036990.db2.gz JWKFIRBXSBRSBB-WDEREUQCSA-N 1 2 235.331 1.439 20 0 BDADLO COc1c(C)ncnc1NCc1[nH+]ccn1C ZINC000656119104 488050590 /nfs/dbraw/zinc/05/05/90/488050590.db2.gz VPKCJNVMHVSPRE-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BDADLO C[C@H]1OCCN(Cc2c[nH+]c3n2CCC3)[C@@H]1C ZINC000667638810 488064913 /nfs/dbraw/zinc/06/49/13/488064913.db2.gz AKYMMFWSGUULJO-GHMZBOCLSA-N 1 2 235.331 1.439 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000667640379 488067010 /nfs/dbraw/zinc/06/70/10/488067010.db2.gz RLOITIKIEOBYOL-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000667640379 488067013 /nfs/dbraw/zinc/06/70/13/488067013.db2.gz RLOITIKIEOBYOL-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667649029 488071826 /nfs/dbraw/zinc/07/18/26/488071826.db2.gz HIUPVZYJWYPJBR-JTQLQIEISA-N 1 2 238.335 1.206 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667649029 488071831 /nfs/dbraw/zinc/07/18/31/488071831.db2.gz HIUPVZYJWYPJBR-JTQLQIEISA-N 1 2 238.335 1.206 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)o1 ZINC000685570383 488078669 /nfs/dbraw/zinc/07/86/69/488078669.db2.gz HUXNKJSMLXSVSN-VHSXEESVSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)o1 ZINC000685570383 488078673 /nfs/dbraw/zinc/07/86/73/488078673.db2.gz HUXNKJSMLXSVSN-VHSXEESVSA-N 1 2 237.347 1.816 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000667667952 488081040 /nfs/dbraw/zinc/08/10/40/488081040.db2.gz ZOWCNXWYZXQXDZ-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000667667952 488081045 /nfs/dbraw/zinc/08/10/45/488081045.db2.gz ZOWCNXWYZXQXDZ-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CO[C@@]1(C)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000230281509 488081680 /nfs/dbraw/zinc/08/16/80/488081680.db2.gz RDIQIRABHBAZHA-ZDUSSCGKSA-N 1 2 236.315 1.579 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCc1ccon1 ZINC000667680668 488084630 /nfs/dbraw/zinc/08/46/30/488084630.db2.gz NIHPJBHRLLJCFA-UHFFFAOYSA-N 1 2 247.254 1.650 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000672344882 488087876 /nfs/dbraw/zinc/08/78/76/488087876.db2.gz HNXXXMNDMUMGAI-VWYCJHECSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000683013038 488092540 /nfs/dbraw/zinc/09/25/40/488092540.db2.gz QVXNPQIIQOLCKA-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000683013038 488092545 /nfs/dbraw/zinc/09/25/45/488092545.db2.gz QVXNPQIIQOLCKA-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000677686667 488092996 /nfs/dbraw/zinc/09/29/96/488092996.db2.gz DWGJPXPOFMIREU-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000677686667 488092999 /nfs/dbraw/zinc/09/29/99/488092999.db2.gz DWGJPXPOFMIREU-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000683014440 488093233 /nfs/dbraw/zinc/09/32/33/488093233.db2.gz QRWLDQSJUTXWNH-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000683014440 488093235 /nfs/dbraw/zinc/09/32/35/488093235.db2.gz QRWLDQSJUTXWNH-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO CC[C@@]1(NC(=O)Nc2cc[nH+]c(C)c2)CCOC1 ZINC000683034238 488101845 /nfs/dbraw/zinc/10/18/45/488101845.db2.gz BPYKONDONFSLCQ-CYBMUJFWSA-N 1 2 249.314 1.503 20 0 BDADLO COCC1([N@H+](C)Cc2nnc(C(C)C)o2)CC1 ZINC000677727411 488103825 /nfs/dbraw/zinc/10/38/25/488103825.db2.gz XVOJUGHVTJDEPJ-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC1([N@@H+](C)Cc2nnc(C(C)C)o2)CC1 ZINC000677727411 488103830 /nfs/dbraw/zinc/10/38/30/488103830.db2.gz XVOJUGHVTJDEPJ-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO FC(F)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000677730954 488108665 /nfs/dbraw/zinc/10/86/65/488108665.db2.gz MMCZSYCPRZGONP-UHFFFAOYSA-N 1 2 248.317 1.296 20 0 BDADLO FC(F)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000677730954 488108669 /nfs/dbraw/zinc/10/86/69/488108669.db2.gz MMCZSYCPRZGONP-UHFFFAOYSA-N 1 2 248.317 1.296 20 0 BDADLO FC(F)CN(CC[NH+]1CCOCC1)CC1CC1 ZINC000677730954 488108671 /nfs/dbraw/zinc/10/86/71/488108671.db2.gz MMCZSYCPRZGONP-UHFFFAOYSA-N 1 2 248.317 1.296 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCOCC23CC3)nc1 ZINC000670106872 488112995 /nfs/dbraw/zinc/11/29/95/488112995.db2.gz HGZFXKUKRVFKHZ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccc(C[N@H+]2CCOCC23CC3)nc1 ZINC000670106872 488113000 /nfs/dbraw/zinc/11/30/00/488113000.db2.gz HGZFXKUKRVFKHZ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000451817003 488114528 /nfs/dbraw/zinc/11/45/28/488114528.db2.gz QKVYEPRKOLMHRU-SCVCMEIPSA-N 1 2 233.315 1.473 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1noc2c1CCCC2 ZINC000677803051 488125577 /nfs/dbraw/zinc/12/55/77/488125577.db2.gz XDCJDGNXGHBBLS-UHFFFAOYSA-N 1 2 246.314 1.909 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cc2c(nn1)CCC2 ZINC000683188938 488126590 /nfs/dbraw/zinc/12/65/90/488126590.db2.gz AMTSKMMWMLNCOX-UHFFFAOYSA-N 1 2 229.287 1.325 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nnnn2CC2CC2)o1 ZINC000349563558 488132807 /nfs/dbraw/zinc/13/28/07/488132807.db2.gz HWLCYVFLRSGCNF-UHFFFAOYSA-N 1 2 247.302 1.274 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccsc1 ZINC000392461498 487540619 /nfs/dbraw/zinc/54/06/19/487540619.db2.gz PAJLZCIAIJJTMP-LURJTMIESA-N 1 2 224.289 1.423 20 0 BDADLO CN(C[C@H](O)C1CC1)c1[nH+]c2ccccc2n1C ZINC000677881260 487540967 /nfs/dbraw/zinc/54/09/67/487540967.db2.gz VBFJEGOEQKWGTK-ZDUSSCGKSA-N 1 2 245.326 1.780 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C)CC=CC2)c[nH+]1 ZINC000655222681 487544555 /nfs/dbraw/zinc/54/45/55/487544555.db2.gz FOSUMJLMJWGFHB-UHFFFAOYSA-N 1 2 205.261 1.557 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](CCO)C2)no1 ZINC000685563133 487545189 /nfs/dbraw/zinc/54/51/89/487545189.db2.gz ARIJRNWPSXOTDB-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](CCO)C2)no1 ZINC000685563133 487545195 /nfs/dbraw/zinc/54/51/95/487545195.db2.gz ARIJRNWPSXOTDB-MWLCHTKSSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](CCO)C2)no1 ZINC000685563131 487545796 /nfs/dbraw/zinc/54/57/96/487545796.db2.gz ARIJRNWPSXOTDB-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](CCO)C2)no1 ZINC000685563131 487545802 /nfs/dbraw/zinc/54/58/02/487545802.db2.gz ARIJRNWPSXOTDB-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668791373 487546093 /nfs/dbraw/zinc/54/60/93/487546093.db2.gz JRVMMIHHSURVOQ-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1ccoc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668791373 487546098 /nfs/dbraw/zinc/54/60/98/487546098.db2.gz JRVMMIHHSURVOQ-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000408463490 487554109 /nfs/dbraw/zinc/55/41/09/487554109.db2.gz CSMBNTJWQRFIEP-BDAKNGLRSA-N 1 2 224.308 1.142 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000408463490 487554117 /nfs/dbraw/zinc/55/41/17/487554117.db2.gz CSMBNTJWQRFIEP-BDAKNGLRSA-N 1 2 224.308 1.142 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cccnc2)c1 ZINC000680260282 487554755 /nfs/dbraw/zinc/55/47/55/487554755.db2.gz RTRBGLBFGIBBOJ-UHFFFAOYSA-N 1 2 242.282 1.795 20 0 BDADLO Cc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)n[nH]1 ZINC000680258405 487554702 /nfs/dbraw/zinc/55/47/02/487554702.db2.gz JPKKYHJGAGRZCV-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000674302976 487556323 /nfs/dbraw/zinc/55/63/23/487556323.db2.gz RZKMSAHDQDPMRA-IUCAKERBSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000674302976 487556327 /nfs/dbraw/zinc/55/63/27/487556327.db2.gz RZKMSAHDQDPMRA-IUCAKERBSA-N 1 2 239.237 1.429 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccncc2F)CCCO1 ZINC000334636929 487530873 /nfs/dbraw/zinc/53/08/73/487530873.db2.gz HRCUJTGVKDUFAO-NSHDSACASA-N 1 2 242.269 1.781 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccncc2F)CCCO1 ZINC000334636929 487530876 /nfs/dbraw/zinc/53/08/76/487530876.db2.gz HRCUJTGVKDUFAO-NSHDSACASA-N 1 2 242.269 1.781 20 0 BDADLO CCc1nnc(C[N@H+](C)C2(COC)CC2)s1 ZINC000680071417 487531957 /nfs/dbraw/zinc/53/19/57/487531957.db2.gz ZELAVHYLPHEBDL-UHFFFAOYSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2(COC)CC2)s1 ZINC000680071417 487531962 /nfs/dbraw/zinc/53/19/62/487531962.db2.gz ZELAVHYLPHEBDL-UHFFFAOYSA-N 1 2 241.360 1.711 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669280335 487475572 /nfs/dbraw/zinc/47/55/72/487475572.db2.gz BZORCHYECONNFC-SNVBAGLBSA-N 1 2 233.315 1.431 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669280335 487475576 /nfs/dbraw/zinc/47/55/76/487475576.db2.gz BZORCHYECONNFC-SNVBAGLBSA-N 1 2 233.315 1.431 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1nc2ccccc2o1 ZINC000679908575 487483941 /nfs/dbraw/zinc/48/39/41/487483941.db2.gz XHZBCDYZXGKBDR-UHFFFAOYSA-N 1 2 247.298 1.442 20 0 BDADLO CCCCOCCN1CCn2cc(C)[nH+]c2C1 ZINC000679869512 487477359 /nfs/dbraw/zinc/47/73/59/487477359.db2.gz POLNVTOVIYYMRU-UHFFFAOYSA-N 1 2 237.347 1.824 20 0 BDADLO O=C(CCCc1ccccn1)NCc1c[nH+]c[nH]1 ZINC000673916109 487477678 /nfs/dbraw/zinc/47/76/78/487477678.db2.gz UTRJITRZKJZCQJ-UHFFFAOYSA-N 1 2 244.298 1.444 20 0 BDADLO O=C(CCCc1ccccn1)NCc1c[nH]c[nH+]1 ZINC000673916109 487477682 /nfs/dbraw/zinc/47/76/82/487477682.db2.gz UTRJITRZKJZCQJ-UHFFFAOYSA-N 1 2 244.298 1.444 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000673926957 487480021 /nfs/dbraw/zinc/48/00/21/487480021.db2.gz COGPYRIDPZQIAE-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000673926957 487480024 /nfs/dbraw/zinc/48/00/24/487480024.db2.gz COGPYRIDPZQIAE-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC(F)(F)C1 ZINC000679917458 487485293 /nfs/dbraw/zinc/48/52/93/487485293.db2.gz ARVSKOLORGWICX-UHFFFAOYSA-N 1 2 237.209 1.425 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC12CCCC2 ZINC000673935907 487485383 /nfs/dbraw/zinc/48/53/83/487485383.db2.gz SBDGKSVFSIMDPG-JTQLQIEISA-N 1 2 219.288 1.606 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC12CCCC2 ZINC000673935907 487485386 /nfs/dbraw/zinc/48/53/86/487485386.db2.gz SBDGKSVFSIMDPG-JTQLQIEISA-N 1 2 219.288 1.606 20 0 BDADLO CCOC1C[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000668230934 487496238 /nfs/dbraw/zinc/49/62/38/487496238.db2.gz FDZGBYQFCFNAPG-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccc(CO)o1)CC2 ZINC000679999979 487513760 /nfs/dbraw/zinc/51/37/60/487513760.db2.gz AHYXDWAOOOKJBL-UHFFFAOYSA-N 1 2 247.298 1.293 20 0 BDADLO CC(C)CC[N@H+](Cc1nnnn1C)C1CC1 ZINC000356028980 487508252 /nfs/dbraw/zinc/50/82/52/487508252.db2.gz MZYJNMAUMYAZNX-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO CC(C)CC[N@@H+](Cc1nnnn1C)C1CC1 ZINC000356028980 487508256 /nfs/dbraw/zinc/50/82/56/487508256.db2.gz MZYJNMAUMYAZNX-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCS[C@H]1C ZINC000381637762 487516547 /nfs/dbraw/zinc/51/65/47/487516547.db2.gz XRRZDJJEJVAVAI-NKWVEPMBSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCS[C@H]1C ZINC000381637762 487516550 /nfs/dbraw/zinc/51/65/50/487516550.db2.gz XRRZDJJEJVAVAI-NKWVEPMBSA-N 1 2 240.332 1.373 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000134543866 487516711 /nfs/dbraw/zinc/51/67/11/487516711.db2.gz ZNKVNDAMEHCCFA-WCBMZHEXSA-N 1 2 209.293 1.548 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 ZINC000685447026 487524528 /nfs/dbraw/zinc/52/45/28/487524528.db2.gz GHSCFXUWSOMZGX-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1Cc1cn[nH]c1 ZINC000685447026 487524529 /nfs/dbraw/zinc/52/45/29/487524529.db2.gz GHSCFXUWSOMZGX-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO O=C([O-])c1cc(NCC[N@H+]2CC=CCC2)cc[nH+]1 ZINC000392205348 487524987 /nfs/dbraw/zinc/52/49/87/487524987.db2.gz MADNJRBIQHLQLR-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO O=C([O-])c1cc(NCC[N@@H+]2CC=CCC2)cc[nH+]1 ZINC000392205348 487524991 /nfs/dbraw/zinc/52/49/91/487524991.db2.gz MADNJRBIQHLQLR-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](OC)C2)s1 ZINC000680050721 487527098 /nfs/dbraw/zinc/52/70/98/487527098.db2.gz FBRLEGFJHBNHBZ-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](OC)C2)s1 ZINC000680050721 487527104 /nfs/dbraw/zinc/52/71/04/487527104.db2.gz FBRLEGFJHBNHBZ-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CC=CCC2)s1 ZINC000680077703 487533963 /nfs/dbraw/zinc/53/39/63/487533963.db2.gz MYJMONXWCCZIFG-UHFFFAOYSA-N 1 2 209.318 1.862 20 0 BDADLO CCc1nnc(C[N@@H+]2CC=CCC2)s1 ZINC000680077703 487533967 /nfs/dbraw/zinc/53/39/67/487533967.db2.gz MYJMONXWCCZIFG-UHFFFAOYSA-N 1 2 209.318 1.862 20 0 BDADLO Cc1nc(C)n(Cc2ccc[nH+]c2C)n1 ZINC000685578790 487557196 /nfs/dbraw/zinc/55/71/96/487557196.db2.gz GHTIBFDLQOXCMR-UHFFFAOYSA-N 1 2 202.261 1.647 20 0 BDADLO CC(C)Cn1nccc1CN(C)Cc1c[nH+]c[nH]1 ZINC000668422255 487727876 /nfs/dbraw/zinc/72/78/76/487727876.db2.gz VYUZLLOMNLTQHX-UHFFFAOYSA-N 1 2 247.346 1.894 20 0 BDADLO CC(C)Cn1nccc1CN(C)Cc1c[nH]c[nH+]1 ZINC000668422255 487727878 /nfs/dbraw/zinc/72/78/78/487727878.db2.gz VYUZLLOMNLTQHX-UHFFFAOYSA-N 1 2 247.346 1.894 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]2C[C@H]21 ZINC000672323014 487902076 /nfs/dbraw/zinc/90/20/76/487902076.db2.gz UNJNMRXIBDANOU-WCBMZHEXSA-N 1 2 229.287 1.352 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523377 487988368 /nfs/dbraw/zinc/98/83/68/487988368.db2.gz XXSIJTBYPSXFBQ-DTWKUNHWSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523377 487988371 /nfs/dbraw/zinc/98/83/71/487988371.db2.gz XXSIJTBYPSXFBQ-DTWKUNHWSA-N 1 2 221.304 1.429 20 0 BDADLO CCNC(=O)CN(C)c1cc[nH+]c2ccncc21 ZINC000677417989 488031321 /nfs/dbraw/zinc/03/13/21/488031321.db2.gz FAAUILOPESPWDK-UHFFFAOYSA-N 1 2 244.298 1.202 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(C)(O)C1 ZINC000085192823 488136359 /nfs/dbraw/zinc/13/63/59/488136359.db2.gz YXOUFAMFNCZIDR-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ccccn2)nn1 ZINC000404469754 488165333 /nfs/dbraw/zinc/16/53/33/488165333.db2.gz ZZJKFMUFBVQGNW-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO CCc1cc(N2CCC(=O)[C@@H](C)C2)nc[nH+]1 ZINC000683458762 488165895 /nfs/dbraw/zinc/16/58/95/488165895.db2.gz LCGCETBFJMLZLN-VIFPVBQESA-N 1 2 219.288 1.454 20 0 BDADLO CCn1cc[nH+]c1CNC1(C(F)F)CC1 ZINC000379967410 488165964 /nfs/dbraw/zinc/16/59/64/488165964.db2.gz ZNPAREUPIZDIMI-UHFFFAOYSA-N 1 2 215.247 1.790 20 0 BDADLO Cc1cccn2c(NC(=O)NC3CC3)c[nH+]c12 ZINC000667948015 488166595 /nfs/dbraw/zinc/16/65/95/488166595.db2.gz KQXIIEDBKIDIMB-UHFFFAOYSA-N 1 2 230.271 1.927 20 0 BDADLO CC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000683459772 488167191 /nfs/dbraw/zinc/16/71/91/488167191.db2.gz OWZOGCJEVDZSMU-UHFFFAOYSA-N 1 2 215.260 1.118 20 0 BDADLO c1cc(C[NH2+]Cc2cc3n(n2)CCC3)on1 ZINC000667978758 488174474 /nfs/dbraw/zinc/17/44/74/488174474.db2.gz MSAJDQMSFGAJMB-UHFFFAOYSA-N 1 2 218.260 1.107 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1cnn(C)c1 ZINC000680418889 488174846 /nfs/dbraw/zinc/17/48/46/488174846.db2.gz NKJDVKHBOWXUOU-MRVPVSSYSA-N 1 2 247.302 1.531 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](C)CO)no1 ZINC000678044646 488180014 /nfs/dbraw/zinc/18/00/14/488180014.db2.gz WZGUUXSSZJGUIR-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](C)CO)no1 ZINC000678044646 488180022 /nfs/dbraw/zinc/18/00/22/488180022.db2.gz WZGUUXSSZJGUIR-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cn1ncnc1C[NH+]1CC(Cc2ccccc2)C1 ZINC000677716870 488189202 /nfs/dbraw/zinc/18/92/02/488189202.db2.gz IWCRUTHJXJWVBY-UHFFFAOYSA-N 1 2 242.326 1.490 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1(C2CCC2)CC1 ZINC000652867788 488193151 /nfs/dbraw/zinc/19/31/51/488193151.db2.gz AWNSJELGIMZSBY-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO Cc1cn2ccc(NC(=O)N(C)CCO)cc2[nH+]1 ZINC000668154232 488211036 /nfs/dbraw/zinc/21/10/36/488211036.db2.gz JRANTSVKCCHFEC-UHFFFAOYSA-N 1 2 248.286 1.099 20 0 BDADLO c1snnc1C[N@@H+]1CCC12CCOCC2 ZINC000683718764 488211785 /nfs/dbraw/zinc/21/17/85/488211785.db2.gz PNFIIDRMMXGKSL-UHFFFAOYSA-N 1 2 225.317 1.293 20 0 BDADLO c1snnc1C[N@H+]1CCC12CCOCC2 ZINC000683718764 488211787 /nfs/dbraw/zinc/21/17/87/488211787.db2.gz PNFIIDRMMXGKSL-UHFFFAOYSA-N 1 2 225.317 1.293 20 0 BDADLO COC1(C)C[NH+](Cc2c(C3CCC3)cnn2C)C1 ZINC000668173627 488213711 /nfs/dbraw/zinc/21/37/11/488213711.db2.gz NBFYEAYFMHCQIH-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO COC1(C)C[NH+](Cc2cnn3c2CCC3)C1 ZINC000668173446 488213776 /nfs/dbraw/zinc/21/37/76/488213776.db2.gz IBIYSZKFYYBZMR-UHFFFAOYSA-N 1 2 221.304 1.050 20 0 BDADLO c1cc([C@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)[nH]n1 ZINC000678185807 488215149 /nfs/dbraw/zinc/21/51/49/488215149.db2.gz ZXVJDAXNXZFSPL-NSHDSACASA-N 1 2 231.303 1.512 20 0 BDADLO c1cc([C@H]2CCC[N@H+](Cc3cn[nH]c3)C2)[nH]n1 ZINC000678185807 488215150 /nfs/dbraw/zinc/21/51/50/488215150.db2.gz ZXVJDAXNXZFSPL-NSHDSACASA-N 1 2 231.303 1.512 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000678196450 488217132 /nfs/dbraw/zinc/21/71/32/488217132.db2.gz SXTMVSAWYYQAJZ-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO Cn1nccc1C[N@H+]1CCOc2ccccc2C1 ZINC000678196450 488217135 /nfs/dbraw/zinc/21/71/35/488217135.db2.gz SXTMVSAWYYQAJZ-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231651437 488219435 /nfs/dbraw/zinc/21/94/35/488219435.db2.gz OQYNMKFVZSGTCB-WCBMZHEXSA-N 1 2 239.319 1.376 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2csnn2)cn1 ZINC000398420592 488219588 /nfs/dbraw/zinc/21/95/88/488219588.db2.gz PIWDFYQOVBHLHC-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668192645 488220029 /nfs/dbraw/zinc/22/00/29/488220029.db2.gz JCEKFZCMIDAVIX-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668192645 488220036 /nfs/dbraw/zinc/22/00/36/488220036.db2.gz JCEKFZCMIDAVIX-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO CN(C(=O)NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000683850253 488232152 /nfs/dbraw/zinc/23/21/52/488232152.db2.gz UIEGTRSQZFHUJY-UHFFFAOYSA-N 1 2 236.319 1.884 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000683897347 488239550 /nfs/dbraw/zinc/23/95/50/488239550.db2.gz ZOIXFUOSZKKRNS-IUCAKERBSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000683897347 488239551 /nfs/dbraw/zinc/23/95/51/488239551.db2.gz ZOIXFUOSZKKRNS-IUCAKERBSA-N 1 2 224.304 1.901 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1oc(C)nc1C ZINC000683898495 488240088 /nfs/dbraw/zinc/24/00/88/488240088.db2.gz KWFSCQRLXNPIJI-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1oc(C)nc1C ZINC000683898495 488240089 /nfs/dbraw/zinc/24/00/89/488240089.db2.gz KWFSCQRLXNPIJI-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cncs1 ZINC000672147509 488240687 /nfs/dbraw/zinc/24/06/87/488240687.db2.gz OUNUTYKNUVLZIU-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO O=C(CC1CCCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148798 488240808 /nfs/dbraw/zinc/24/08/08/488240808.db2.gz XXUWXJPUIVSPSG-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccncc1 ZINC000672146426 488241036 /nfs/dbraw/zinc/24/10/36/488241036.db2.gz LTBVEKODCOPUTP-LLVKDONJSA-N 1 2 242.282 1.023 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154946 488242439 /nfs/dbraw/zinc/24/24/39/488242439.db2.gz VDMGTAQDVLTQEH-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155025 488242495 /nfs/dbraw/zinc/24/24/95/488242495.db2.gz WKQVKACHQOYQMM-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H]3COC[C@@H]3C2)[nH+]1 ZINC000672274597 488248979 /nfs/dbraw/zinc/24/89/79/488248979.db2.gz IJZDEIHCQXJWIZ-AOOOYVTPSA-N 1 2 244.298 1.349 20 0 BDADLO CN(CCC(N)=O)c1cc[nH+]c(C(C)(C)C)n1 ZINC000672337030 488252597 /nfs/dbraw/zinc/25/25/97/488252597.db2.gz HENCRRNFRNNCAD-UHFFFAOYSA-N 1 2 236.319 1.086 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1F ZINC000683995815 488254065 /nfs/dbraw/zinc/25/40/65/488254065.db2.gz KZENGCJKVOUNOC-MXWKQRLJSA-N 1 2 249.351 1.101 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1F ZINC000683995815 488254067 /nfs/dbraw/zinc/25/40/67/488254067.db2.gz KZENGCJKVOUNOC-MXWKQRLJSA-N 1 2 249.351 1.101 20 0 BDADLO CC(=O)NCC[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000672576502 488260364 /nfs/dbraw/zinc/26/03/64/488260364.db2.gz SFZLQUWQXYGQNU-SNVBAGLBSA-N 1 2 234.290 1.490 20 0 BDADLO CC(=O)NCC[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000672576502 488260365 /nfs/dbraw/zinc/26/03/65/488260365.db2.gz SFZLQUWQXYGQNU-SNVBAGLBSA-N 1 2 234.290 1.490 20 0 BDADLO CC[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000672990878 488270396 /nfs/dbraw/zinc/27/03/96/488270396.db2.gz VHAZVEARYZTWDF-CMPLNLGQSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)c(C)n1 ZINC000678612120 488272562 /nfs/dbraw/zinc/27/25/62/488272562.db2.gz TYCIITUAEYSKSB-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@H](CO)[N@H+](CC(F)F)CC1CCC1 ZINC000684626325 488335329 /nfs/dbraw/zinc/33/53/29/488335329.db2.gz UTGMRROSORDTJN-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](CO)[N@@H+](CC(F)F)CC1CCC1 ZINC000684626325 488335331 /nfs/dbraw/zinc/33/53/31/488335331.db2.gz UTGMRROSORDTJN-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO OC[C@H](Cc1ccccc1)Nc1cc[nH+]cc1F ZINC000678788317 488283217 /nfs/dbraw/zinc/28/32/17/488283217.db2.gz ITRQZFOVCQEKEI-LBPRGKRZSA-N 1 2 246.285 1.658 20 0 BDADLO Cc1cc(C)n(CCCNc2cc[nH+]cc2F)n1 ZINC000678788221 488283551 /nfs/dbraw/zinc/28/35/51/488283551.db2.gz FMSRQGAQWKZHFP-UHFFFAOYSA-N 1 2 248.305 1.958 20 0 BDADLO Cn1nncc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000673485309 488289951 /nfs/dbraw/zinc/28/99/51/488289951.db2.gz CRBJSDCTHGNJAI-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000678879519 488292810 /nfs/dbraw/zinc/29/28/10/488292810.db2.gz VTMXILOSHJQDSI-LBPRGKRZSA-N 1 2 235.331 1.920 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000684329186 488292935 /nfs/dbraw/zinc/29/29/35/488292935.db2.gz ZXNVOIYFFDQDRD-SECBINFHSA-N 1 2 237.278 1.016 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000673604360 488296930 /nfs/dbraw/zinc/29/69/30/488296930.db2.gz SNRLCOOLXZMGKL-NSHDSACASA-N 1 2 231.303 1.310 20 0 BDADLO CC(C)n1nccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000684360708 488300427 /nfs/dbraw/zinc/30/04/27/488300427.db2.gz HKQKWQXFCOGRNK-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO CC(C)n1nccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000684360708 488300430 /nfs/dbraw/zinc/30/04/30/488300430.db2.gz HKQKWQXFCOGRNK-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1CCC(=O)CC1 ZINC000673664380 488301564 /nfs/dbraw/zinc/30/15/64/488301564.db2.gz VELFBZAABBTGNM-UHFFFAOYSA-N 1 2 232.283 1.510 20 0 BDADLO O=C(CCn1cccc1)N1CC(n2cc[nH+]c2)C1 ZINC000673672195 488302493 /nfs/dbraw/zinc/30/24/93/488302493.db2.gz OENZQYTWJPPDNM-UHFFFAOYSA-N 1 2 244.298 1.158 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc[nH]2)on1 ZINC000673857364 488310216 /nfs/dbraw/zinc/31/02/16/488310216.db2.gz RNEQXFDQFCATHN-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc[nH]2)on1 ZINC000673857364 488310219 /nfs/dbraw/zinc/31/02/19/488310219.db2.gz RNEQXFDQFCATHN-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000684446077 488314243 /nfs/dbraw/zinc/31/42/43/488314243.db2.gz GYUOAQQTKQKZAW-BDAKNGLRSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000684446077 488314245 /nfs/dbraw/zinc/31/42/45/488314245.db2.gz GYUOAQQTKQKZAW-BDAKNGLRSA-N 1 2 235.287 1.031 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC(F)F ZINC000684452854 488315099 /nfs/dbraw/zinc/31/50/99/488315099.db2.gz NYNSKDSUAAONLR-UHFFFAOYSA-N 1 2 217.219 1.380 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1F ZINC000679218703 488317888 /nfs/dbraw/zinc/31/78/88/488317888.db2.gz BRKUMOQWOWUTIB-UWVGGRQHSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1F ZINC000679218703 488317890 /nfs/dbraw/zinc/31/78/90/488317890.db2.gz BRKUMOQWOWUTIB-UWVGGRQHSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCC1=O ZINC000684480535 488320050 /nfs/dbraw/zinc/32/00/50/488320050.db2.gz CAEHJQRTJIVJNO-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(F)c(F)c2)nn1 ZINC000054860981 488324360 /nfs/dbraw/zinc/32/43/60/488324360.db2.gz SYZYQHDNCVZUEZ-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1F ZINC000679252978 488325213 /nfs/dbraw/zinc/32/52/13/488325213.db2.gz CKVRKDUBLPCFSK-VHSXEESVSA-N 1 2 225.267 1.090 20 0 BDADLO CO[C@@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)CCO1 ZINC000684588803 488329180 /nfs/dbraw/zinc/32/91/80/488329180.db2.gz OGSCFHAPTWIYET-JTQLQIEISA-N 1 2 248.286 1.075 20 0 BDADLO COCCOC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000679355653 488343907 /nfs/dbraw/zinc/34/39/07/488343907.db2.gz OBIDVFKDZDYCST-VHSXEESVSA-N 1 2 241.335 1.420 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc[nH]n1 ZINC000684821062 488346051 /nfs/dbraw/zinc/34/60/51/488346051.db2.gz SXYQDXGPTBPTCA-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccn1 ZINC000683019759 490155357 /nfs/dbraw/zinc/15/53/57/490155357.db2.gz QRXNTIHQZJESRY-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccn1 ZINC000683019759 490155364 /nfs/dbraw/zinc/15/53/64/490155364.db2.gz QRXNTIHQZJESRY-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCN1CC[C@@H]([NH2+][C@H](C)c2cscn2)C1=O ZINC000309654008 490171714 /nfs/dbraw/zinc/17/17/14/490171714.db2.gz PBLXNFOKPVNOAV-RKDXNWHRSA-N 1 2 239.344 1.415 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc(C3CC3)cc2)n1 ZINC000236092707 490199413 /nfs/dbraw/zinc/19/94/13/490199413.db2.gz PBOTVODMNJUYCB-UHFFFAOYSA-N 1 2 242.326 1.982 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cnc[nH]1 ZINC000078679711 490216818 /nfs/dbraw/zinc/21/68/18/490216818.db2.gz JKTVTZBNFHTMMO-SSDOTTSWSA-N 1 2 220.276 1.865 20 0 BDADLO c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)[nH]n1 ZINC000655812041 490259583 /nfs/dbraw/zinc/25/95/83/490259583.db2.gz NEAAUYZYRMODHC-OLZOCXBDSA-N 1 2 235.331 1.847 20 0 BDADLO CCCCc1noc(COCc2[nH]cc[nH+]2)n1 ZINC000123773774 490259884 /nfs/dbraw/zinc/25/98/84/490259884.db2.gz QBOJJBDIIRFIHP-UHFFFAOYSA-N 1 2 236.275 1.852 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000125344819 490428694 /nfs/dbraw/zinc/42/86/94/490428694.db2.gz WQZKQQPRCDVXDQ-YIZRAAEISA-N 1 2 207.277 1.633 20 0 BDADLO Cn1cc(N[C@H](c2[nH+]ccn2C)C2CC2)cn1 ZINC000128110739 490520197 /nfs/dbraw/zinc/52/01/97/490520197.db2.gz FBKILCBKYCVMEY-NSHDSACASA-N 1 2 231.303 1.717 20 0 BDADLO CCc1cc(N[C@@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000300839259 490571092 /nfs/dbraw/zinc/57/10/92/490571092.db2.gz JGSRYHCYZALMNQ-MWLCHTKSSA-N 1 2 221.304 1.876 20 0 BDADLO COc1ccc(N[C@@H]2CCOC[C@H]2C)[nH+]c1 ZINC000300862396 490572166 /nfs/dbraw/zinc/57/21/66/490572166.db2.gz NWTWSINNNURCOL-MWLCHTKSSA-N 1 2 222.288 1.927 20 0 BDADLO CCn1ccc(NCc2[nH+]ccn2C)n1 ZINC000300828075 490667346 /nfs/dbraw/zinc/66/73/46/490667346.db2.gz BWFDMSOZGLELLN-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO Cc1cc(C(=O)C[N@@H+](C)Cc2cn[nH]c2)c(C)[nH]1 ZINC000085825517 491053587 /nfs/dbraw/zinc/05/35/87/491053587.db2.gz PEDNVMYSVDLSQD-UHFFFAOYSA-N 1 2 246.314 1.669 20 0 BDADLO Cc1cc(C(=O)C[N@H+](C)Cc2cn[nH]c2)c(C)[nH]1 ZINC000085825517 491053589 /nfs/dbraw/zinc/05/35/89/491053589.db2.gz PEDNVMYSVDLSQD-UHFFFAOYSA-N 1 2 246.314 1.669 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000493757699 491077308 /nfs/dbraw/zinc/07/73/08/491077308.db2.gz PVVQEDRQBVYLNI-UFFNRZRYSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000667475236 491107216 /nfs/dbraw/zinc/10/72/16/491107216.db2.gz JCOXGACYYIGNFZ-NWDGAFQWSA-N 1 2 249.358 1.829 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc2ccccc2n1C ZINC000293658553 491114339 /nfs/dbraw/zinc/11/43/39/491114339.db2.gz TUTBCAWDWRUYKB-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc2ccccc2n1C ZINC000293658553 491114340 /nfs/dbraw/zinc/11/43/40/491114340.db2.gz TUTBCAWDWRUYKB-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCc1c[nH+]cn1C ZINC000334631485 491124122 /nfs/dbraw/zinc/12/41/22/491124122.db2.gz NDVDKENNZNOQSX-MFKMUULPSA-N 1 2 235.331 1.863 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661084924 491127970 /nfs/dbraw/zinc/12/79/70/491127970.db2.gz GTQQFLPHCXHBMX-UWVGGRQHSA-N 1 2 238.335 1.145 20 0 BDADLO COc1ccc(N[C@@H](C)Cn2cccn2)[nH+]c1 ZINC000231130209 491131632 /nfs/dbraw/zinc/13/16/32/491131632.db2.gz SJPVQJZRVKEXPF-JTQLQIEISA-N 1 2 232.287 1.787 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccs2)ncn1 ZINC000309248216 491146704 /nfs/dbraw/zinc/14/67/04/491146704.db2.gz ZOYOBBDSEGBMPF-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO CCc1noc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000309960949 491158397 /nfs/dbraw/zinc/15/83/97/491158397.db2.gz LBWCUPKNAROVAP-ZETCQYMHSA-N 1 2 221.264 1.206 20 0 BDADLO CSCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000890873177 582582856 /nfs/dbraw/zinc/58/28/56/582582856.db2.gz ZRJHADYPJIWGON-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO Cc1ccc(CCC(=O)NCc2[nH]cc[nH+]2)o1 ZINC000471967887 533774192 /nfs/dbraw/zinc/77/41/92/533774192.db2.gz NNEHKOKUUQAYHZ-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492894193 533780812 /nfs/dbraw/zinc/78/08/12/533780812.db2.gz HDBGEASJJZJUTO-XIJCSBCJSA-N 1 2 233.315 1.975 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CS1 ZINC000493050026 533906117 /nfs/dbraw/zinc/90/61/17/533906117.db2.gz OLMVPKJUKZGRIR-SXAXMNFYSA-N 1 2 237.328 1.433 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)nc1 ZINC000494555616 533933417 /nfs/dbraw/zinc/93/34/17/533933417.db2.gz RFMXOKCOKFZSMF-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)nc1 ZINC000494555616 533933424 /nfs/dbraw/zinc/93/34/24/533933424.db2.gz RFMXOKCOKFZSMF-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)nc1 ZINC000494555617 533933613 /nfs/dbraw/zinc/93/36/13/533933613.db2.gz RFMXOKCOKFZSMF-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)nc1 ZINC000494555617 533933629 /nfs/dbraw/zinc/93/36/29/533933629.db2.gz RFMXOKCOKFZSMF-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000495442879 533933761 /nfs/dbraw/zinc/93/37/61/533933761.db2.gz MEENEVHNHMCPGP-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000495442879 533933767 /nfs/dbraw/zinc/93/37/67/533933767.db2.gz MEENEVHNHMCPGP-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO CS[C@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493100941 534044826 /nfs/dbraw/zinc/04/48/26/534044826.db2.gz BSQMQPOSEINUAN-MPJRPATESA-N 1 2 225.317 1.291 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493974097 534142479 /nfs/dbraw/zinc/14/24/79/534142479.db2.gz GZQQNESMMXLNGN-GHMZBOCLSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493974097 534142486 /nfs/dbraw/zinc/14/24/86/534142486.db2.gz GZQQNESMMXLNGN-GHMZBOCLSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493184589 534197526 /nfs/dbraw/zinc/19/75/26/534197526.db2.gz GPKVMNWDVWAVRF-VJIGKBMESA-N 1 2 205.261 1.338 20 0 BDADLO Cc1ccc(/C=C\C(=O)NCc2c[nH+]cn2C)o1 ZINC000493055047 534250037 /nfs/dbraw/zinc/25/00/37/534250037.db2.gz SJSNMXGDAIJPJZ-WAYWQWQTSA-N 1 2 245.282 1.651 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493322079 534269753 /nfs/dbraw/zinc/26/97/53/534269753.db2.gz NZUJISZWNLWSMV-VSQXVHSFSA-N 1 2 237.278 1.774 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCS1 ZINC000493744960 534276740 /nfs/dbraw/zinc/27/67/40/534276740.db2.gz ICCLVHSQPNPVMB-PKRMOACSSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493181257 534299662 /nfs/dbraw/zinc/29/96/62/534299662.db2.gz BVSIUCKTRPZGCY-VUHVRTRXSA-N 1 2 219.288 1.680 20 0 BDADLO CC(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC000175058644 534379716 /nfs/dbraw/zinc/37/97/16/534379716.db2.gz DWTWGUJUUQSIQG-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CC(=O)NCCC[N@H+](C)Cc1nccs1 ZINC000175058644 534379720 /nfs/dbraw/zinc/37/97/20/534379720.db2.gz DWTWGUJUUQSIQG-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC(C1CC1)C1CC1 ZINC000493373548 534787406 /nfs/dbraw/zinc/78/74/06/534787406.db2.gz UZIBTPMTUJVNRO-AATRIKPKSA-N 1 2 231.299 1.728 20 0 BDADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCCc2n[nH]cc21 ZINC000493860222 534787454 /nfs/dbraw/zinc/78/74/54/534787454.db2.gz UWOGNNZLXQIAPB-ONEGZZNKSA-N 1 2 243.270 1.125 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC2(CCC2)C1 ZINC000492761811 534800698 /nfs/dbraw/zinc/80/06/98/534800698.db2.gz HBPLMVYJJXRDKN-IHWYPQMZSA-N 1 2 231.299 1.826 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCCC1 ZINC000492821228 534800865 /nfs/dbraw/zinc/80/08/65/534800865.db2.gz CWGMHIFBYYQMFH-WAYWQWQTSA-N 1 2 219.288 1.826 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CCO)CC1 ZINC000492812647 534801814 /nfs/dbraw/zinc/80/18/14/534801814.db2.gz NGPOTGRRQHPHRN-UPHRSURJSA-N 1 2 249.314 1.044 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000492763294 534803276 /nfs/dbraw/zinc/80/32/76/534803276.db2.gz JCFSZBSLXUVZEC-CWBMUHOVSA-N 1 2 247.298 1.107 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccsc1 ZINC000492813126 534803635 /nfs/dbraw/zinc/80/36/35/534803635.db2.gz ORHQOBBIXNIUPP-UPHRSURJSA-N 1 2 233.296 1.801 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCCC(F)(F)F ZINC000493044424 534803900 /nfs/dbraw/zinc/80/39/00/534803900.db2.gz HMJVKAZLPWPIJS-UPHRSURJSA-N 1 2 249.192 1.423 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC=CCC1 ZINC000493642068 534804272 /nfs/dbraw/zinc/80/42/72/534804272.db2.gz ASTYAFLBVDZTII-GFVADAIESA-N 1 2 217.272 1.648 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC12CC2 ZINC000493494527 534805092 /nfs/dbraw/zinc/80/50/92/534805092.db2.gz UYYPSPFEPACUMS-IYABHPQVSA-N 1 2 203.245 1.092 20 0 BDADLO Cc1nnc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000493302678 534868745 /nfs/dbraw/zinc/86/87/45/534868745.db2.gz OEVSBDRPMJQLJL-NSCUHMNNSA-N 1 2 235.272 1.222 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263137279 534916222 /nfs/dbraw/zinc/91/62/22/534916222.db2.gz CATXHBABSMWMJW-YUMQZZPRSA-N 1 2 232.274 1.146 20 0 BDADLO COC(=O)C(C)(C)N(C)Cc1[nH+]cc(C)n1C ZINC000342794660 536427902 /nfs/dbraw/zinc/42/79/02/536427902.db2.gz VBPDPZBLSURSFY-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO CC(C)(NC(=O)/C=C/[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000493051469 527261411 /nfs/dbraw/zinc/26/14/11/527261411.db2.gz OUXZDXMOTGXJKZ-FSIBCCDJSA-N 1 2 249.314 1.354 20 0 BDADLO CC(C)(NC(=O)/C=C\[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000493051477 527264396 /nfs/dbraw/zinc/26/43/96/527264396.db2.gz OUXZDXMOTGXJKZ-XOULXFPDSA-N 1 2 249.314 1.354 20 0 BDADLO C/C=C/C=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000493863352 527578575 /nfs/dbraw/zinc/57/85/75/527578575.db2.gz WUCNLWMVUAJGON-YTXTXJHMSA-N 1 2 219.288 1.893 20 0 BDADLO C/C=C/C=C\C(=O)NCc1[nH+]ccn1CC ZINC000493254666 527606221 /nfs/dbraw/zinc/60/62/21/527606221.db2.gz MQTLUJBXAUFLJU-WZWXSLMZSA-N 1 2 219.288 1.652 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493725428 527713154 /nfs/dbraw/zinc/71/31/54/527713154.db2.gz PTHSWTGBRBLRKA-RTMURIBGSA-N 1 2 205.261 1.338 20 0 BDADLO CCC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492857293 527766352 /nfs/dbraw/zinc/76/63/52/527766352.db2.gz DEMKPDPNTLEOHE-QMAVJUDZSA-N 1 2 249.314 1.450 20 0 BDADLO CC(C)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492761835 527815830 /nfs/dbraw/zinc/81/58/30/527815830.db2.gz HEQWGMLEXIRDKX-VSQXVHSFSA-N 1 2 249.314 1.306 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492807720 527885951 /nfs/dbraw/zinc/88/59/51/527885951.db2.gz BKUYUIWNXCPIOG-ITKZLYELSA-N 1 2 237.303 1.090 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)CC[C@@H](C)F)n1 ZINC000352050885 536523247 /nfs/dbraw/zinc/52/32/47/536523247.db2.gz WFESZIIUMDXHRB-RKDXNWHRSA-N 1 2 245.298 1.957 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)CC[C@@H](C)F)n1 ZINC000352050885 536523252 /nfs/dbraw/zinc/52/32/52/536523252.db2.gz WFESZIIUMDXHRB-RKDXNWHRSA-N 1 2 245.298 1.957 20 0 BDADLO CCCN(CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760404 527947355 /nfs/dbraw/zinc/94/73/55/527947355.db2.gz DHUARLVJXNNHFX-WAYWQWQTSA-N 1 2 207.277 1.681 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493015919 527968235 /nfs/dbraw/zinc/96/82/35/527968235.db2.gz KVUPMARQQZVRCR-ADRPCIBZSA-N 1 2 249.314 1.210 20 0 BDADLO CCCC1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000471798354 528029199 /nfs/dbraw/zinc/02/91/99/528029199.db2.gz KXGGMZCZMXWNRL-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CCCN(CCC)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488393945 528061922 /nfs/dbraw/zinc/06/19/22/528061922.db2.gz HGVUMMPAFWXKTA-UHFFFAOYSA-N 1 2 237.351 1.872 20 0 BDADLO CCCN(CCC)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488393945 528061926 /nfs/dbraw/zinc/06/19/26/528061926.db2.gz HGVUMMPAFWXKTA-UHFFFAOYSA-N 1 2 237.351 1.872 20 0 BDADLO CC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493085534 528212307 /nfs/dbraw/zinc/21/23/07/528212307.db2.gz MXJHLVFROOUVDZ-NSCUHMNNSA-N 1 2 219.288 1.681 20 0 BDADLO CCOC=CC(=O)Nc1cc[nH+]c(C)c1 ZINC000493136345 528519263 /nfs/dbraw/zinc/51/92/63/528519263.db2.gz YONHBVASEJRROT-ALCCZGGFSA-N 1 2 206.245 1.301 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493773447 528691924 /nfs/dbraw/zinc/69/19/24/528691924.db2.gz ASEPKSOILHUDAK-PGLGOXFNSA-N 1 2 233.315 1.927 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)no1 ZINC000510154639 528744722 /nfs/dbraw/zinc/74/47/22/528744722.db2.gz NKHNWMZSWPHRNZ-AOOOYVTPSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)no1 ZINC000510154639 528744728 /nfs/dbraw/zinc/74/47/28/528744728.db2.gz NKHNWMZSWPHRNZ-AOOOYVTPSA-N 1 2 239.319 1.631 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813669 528954707 /nfs/dbraw/zinc/95/47/07/528954707.db2.gz QGKLUNXKEHXVEO-OMMCCPJFSA-N 1 2 221.304 1.926 20 0 BDADLO CCOC(=O)N1CC[NH+](C[C@H](F)CC)CC1 ZINC000497033643 528991873 /nfs/dbraw/zinc/99/18/73/528991873.db2.gz IOQRBXBQDKWRKD-SNVBAGLBSA-N 1 2 232.299 1.509 20 0 BDADLO CCOC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000493968444 529095355 /nfs/dbraw/zinc/09/53/55/529095355.db2.gz JPGZTCAELWTFDK-SECBINFHSA-N 1 2 218.272 1.166 20 0 BDADLO CCOC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000493968444 529095362 /nfs/dbraw/zinc/09/53/62/529095362.db2.gz JPGZTCAELWTFDK-SECBINFHSA-N 1 2 218.272 1.166 20 0 BDADLO CCN1CC[N@H+](CCC(F)(F)F)[C@@H](C)C1=O ZINC000495197039 529142482 /nfs/dbraw/zinc/14/24/82/529142482.db2.gz WHFWFHFWLGDMIS-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CCN1CC[N@@H+](CCC(F)(F)F)[C@@H](C)C1=O ZINC000495197039 529142484 /nfs/dbraw/zinc/14/24/84/529142484.db2.gz WHFWFHFWLGDMIS-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CC[C@H]1COCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493364273 529306025 /nfs/dbraw/zinc/30/60/25/529306025.db2.gz ZZQUXZJWQJGULJ-XOULXFPDSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492896495 529347476 /nfs/dbraw/zinc/34/74/76/529347476.db2.gz JGOBKTINPLGZCV-DLRQAJBASA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000492813310 529347542 /nfs/dbraw/zinc/34/75/42/529347542.db2.gz PDFMLYWKXSQILV-QMAVJUDZSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCCCS1)C(=O)OC ZINC000168388960 535804813 /nfs/dbraw/zinc/80/48/13/535804813.db2.gz YAJYDFXMNZCDNF-VHSXEESVSA-N 1 2 231.361 1.813 20 0 BDADLO CC[C@@H](O)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000367073994 535812578 /nfs/dbraw/zinc/81/25/78/535812578.db2.gz NJMBPQBQECINOE-GFCCVEGCSA-N 1 2 239.290 1.100 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000336144795 536082731 /nfs/dbraw/zinc/08/27/31/536082731.db2.gz GDYMREBXQNSDFC-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@H](CCO)CNc1cc(C)[nH+]cn1 ZINC000087371086 536092380 /nfs/dbraw/zinc/09/23/80/536092380.db2.gz FCXISLHFUCZWEF-SNVBAGLBSA-N 1 2 209.293 1.606 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000348541506 536103169 /nfs/dbraw/zinc/10/31/69/536103169.db2.gz ZOOYMYDZGXANQV-CYBMUJFWSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCc2ccc(O)cc2C1 ZINC000348541506 536103173 /nfs/dbraw/zinc/10/31/73/536103173.db2.gz ZOOYMYDZGXANQV-CYBMUJFWSA-N 1 2 249.310 1.702 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348207809 536631009 /nfs/dbraw/zinc/63/10/09/536631009.db2.gz YNGFGLFZFDNCAZ-ATZCPNFKSA-N 1 2 227.304 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348207809 536631010 /nfs/dbraw/zinc/63/10/10/536631010.db2.gz YNGFGLFZFDNCAZ-ATZCPNFKSA-N 1 2 227.304 1.047 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nnc(C)s2)CC[C@H]1C ZINC000342722652 536734423 /nfs/dbraw/zinc/73/44/23/536734423.db2.gz OIEUGTIJNCVMIR-PSASIEDQSA-N 1 2 241.360 1.703 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)s2)CC[C@H]1C ZINC000342722652 536734428 /nfs/dbraw/zinc/73/44/28/536734428.db2.gz OIEUGTIJNCVMIR-PSASIEDQSA-N 1 2 241.360 1.703 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C(=O)OC ZINC000342798183 536878238 /nfs/dbraw/zinc/87/82/38/536878238.db2.gz RYMDPROACXUEAP-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085825705 566340303 /nfs/dbraw/zinc/34/03/03/566340303.db2.gz LMIKIKNJMABGJU-SNVBAGLBSA-N 1 2 238.335 1.146 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825705 566340310 /nfs/dbraw/zinc/34/03/10/566340310.db2.gz LMIKIKNJMABGJU-SNVBAGLBSA-N 1 2 238.335 1.146 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(F)cn1 ZINC000352145674 566472998 /nfs/dbraw/zinc/47/29/98/566472998.db2.gz BHUILKPTPPLXKB-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(F)cn1 ZINC000352145674 566473006 /nfs/dbraw/zinc/47/30/06/566473006.db2.gz BHUILKPTPPLXKB-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CCOC2)[nH+]1 ZINC000892953817 583018605 /nfs/dbraw/zinc/01/86/05/583018605.db2.gz KUNRUDFATCUKEB-RKDXNWHRSA-N 1 2 208.261 1.336 20 0 BDADLO CCOCC[N@@H+](C)Cc1nccn1C1CC1 ZINC000893428694 583142173 /nfs/dbraw/zinc/14/21/73/583142173.db2.gz WZTLVZZNRBRWQT-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](C)C1CC(O)C1 ZINC000893572770 583165677 /nfs/dbraw/zinc/16/56/77/583165677.db2.gz TWPYEROQNKVNFD-UHFFFAOYSA-N 1 2 243.738 1.581 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](C)C1CC(O)C1 ZINC000893572770 583165679 /nfs/dbraw/zinc/16/56/79/583165679.db2.gz TWPYEROQNKVNFD-UHFFFAOYSA-N 1 2 243.738 1.581 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000894027457 583281950 /nfs/dbraw/zinc/28/19/50/583281950.db2.gz JDPCQGMWSWUXAO-JBLZRFIASA-N 1 2 241.331 1.485 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000894096589 583301074 /nfs/dbraw/zinc/30/10/74/583301074.db2.gz WDLQADMTHTWGJU-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)c1ccccn1 ZINC000853105918 588720671 /nfs/dbraw/zinc/72/06/71/588720671.db2.gz NOTSLZYHMOXVRG-WDEREUQCSA-N 1 2 242.269 1.892 20 0 BDADLO Cc1nn(C[N@H+](C)CC2CCCCC2)c(=O)o1 ZINC000853490023 588745715 /nfs/dbraw/zinc/74/57/15/588745715.db2.gz KWUVXROFLFKGSX-UHFFFAOYSA-N 1 2 239.319 1.614 20 0 BDADLO Cc1nn(C[N@@H+](C)CC2CCCCC2)c(=O)o1 ZINC000853490023 588745716 /nfs/dbraw/zinc/74/57/16/588745716.db2.gz KWUVXROFLFKGSX-UHFFFAOYSA-N 1 2 239.319 1.614 20 0 BDADLO Cc1nn(C[N@@H+](C)C2CCC(C)CC2)c(=O)o1 ZINC000853490951 588745851 /nfs/dbraw/zinc/74/58/51/588745851.db2.gz JXHPZHNZIBBBBX-UHFFFAOYSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)C2CCC(C)CC2)c(=O)o1 ZINC000853490951 588745852 /nfs/dbraw/zinc/74/58/52/588745852.db2.gz JXHPZHNZIBBBBX-UHFFFAOYSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c(=O)o1 ZINC000853509241 588746557 /nfs/dbraw/zinc/74/65/57/588746557.db2.gz XOQLMKHJKDMQNV-LLVKDONJSA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c(=O)o1 ZINC000853509241 588746558 /nfs/dbraw/zinc/74/65/58/588746558.db2.gz XOQLMKHJKDMQNV-LLVKDONJSA-N 1 2 239.319 1.470 20 0 BDADLO CC(C)[C@H]1CCN(C[N@@H+]2CC[C@H](F)C2)C1=O ZINC000853517614 588747217 /nfs/dbraw/zinc/74/72/17/588747217.db2.gz YXAVLCSZFNPPNM-WDEREUQCSA-N 1 2 228.311 1.492 20 0 BDADLO CC(C)[C@H]1CCN(C[N@H+]2CC[C@H](F)C2)C1=O ZINC000853517614 588747218 /nfs/dbraw/zinc/74/72/18/588747218.db2.gz YXAVLCSZFNPPNM-WDEREUQCSA-N 1 2 228.311 1.492 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cc(C)nc(C)n1 ZINC000853674037 588754930 /nfs/dbraw/zinc/75/49/30/588754930.db2.gz PNAJDIDCHSZGOY-QMMMGPOBSA-N 1 2 238.291 1.127 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCC1CCC1 ZINC000853673929 588754988 /nfs/dbraw/zinc/75/49/88/588754988.db2.gz MMXGDVAUVDJRTR-QMMMGPOBSA-N 1 2 200.282 1.710 20 0 BDADLO CC(C)c1nc(NCc2cc(=O)cc[nH]2)cc[nH+]1 ZINC000853688527 588756609 /nfs/dbraw/zinc/75/66/09/588756609.db2.gz CUFOPTDOLWXDME-UHFFFAOYSA-N 1 2 244.298 1.900 20 0 BDADLO CC(C)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000853698706 588757615 /nfs/dbraw/zinc/75/76/15/588757615.db2.gz SAKFZGPUJWQCNZ-IUCAKERBSA-N 1 2 200.282 1.708 20 0 BDADLO C[N@@H+]1CCO[C@@H](CSc2cnc(F)cn2)C1 ZINC000853706135 588758101 /nfs/dbraw/zinc/75/81/01/588758101.db2.gz IXFYDDJTWHMJOE-MRVPVSSYSA-N 1 2 243.307 1.038 20 0 BDADLO C[N@H+]1CCO[C@@H](CSc2cnc(F)cn2)C1 ZINC000853706135 588758102 /nfs/dbraw/zinc/75/81/02/588758102.db2.gz IXFYDDJTWHMJOE-MRVPVSSYSA-N 1 2 243.307 1.038 20 0 BDADLO CC[C@]1(C)OC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000853726869 588759530 /nfs/dbraw/zinc/75/95/30/588759530.db2.gz ZQUQPWJTBOFAOM-LBPRGKRZSA-N 1 2 249.270 1.311 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2C=CCC2)nc[nH+]1 ZINC000853800779 588763976 /nfs/dbraw/zinc/76/39/76/588763976.db2.gz YXWKCXJUVIZBBL-VHSXEESVSA-N 1 2 234.303 1.400 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2C=CCC2)[nH+]cn1 ZINC000853800779 588763977 /nfs/dbraw/zinc/76/39/77/588763977.db2.gz YXWKCXJUVIZBBL-VHSXEESVSA-N 1 2 234.303 1.400 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2C=CCC2)nc[nH+]1 ZINC000853800776 588764165 /nfs/dbraw/zinc/76/41/65/588764165.db2.gz YXWKCXJUVIZBBL-UWVGGRQHSA-N 1 2 234.303 1.400 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2C=CCC2)[nH+]cn1 ZINC000853800776 588764166 /nfs/dbraw/zinc/76/41/66/588764166.db2.gz YXWKCXJUVIZBBL-UWVGGRQHSA-N 1 2 234.303 1.400 20 0 BDADLO CC(C)c1nc(NC[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000853867866 588766710 /nfs/dbraw/zinc/76/67/10/588766710.db2.gz UEBQKYPXRSPZMV-SNVBAGLBSA-N 1 2 248.330 1.490 20 0 BDADLO C[C@@H](Nc1cc(F)ncn1)c1[nH+]ccn1C ZINC000853967156 588770472 /nfs/dbraw/zinc/77/04/72/588770472.db2.gz NAUBIIRBYTUCRZ-SSDOTTSWSA-N 1 2 221.239 1.522 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccoc2)no1 ZINC000854149617 588777210 /nfs/dbraw/zinc/77/72/10/588777210.db2.gz KPNOCFGCRAZMPJ-VIFPVBQESA-N 1 2 237.259 1.754 20 0 BDADLO CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000854293722 588782827 /nfs/dbraw/zinc/78/28/27/588782827.db2.gz UMFBMVUERHOKPC-HTQZYQBOSA-N 1 2 242.344 1.409 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000854482313 588789200 /nfs/dbraw/zinc/78/92/00/588789200.db2.gz ZDIKWHTUHAYFJF-YFKPBYRVSA-N 1 2 221.182 1.019 20 0 BDADLO CCC(F)(F)C(=O)N1CCn2c[nH+]cc2C1 ZINC000854528305 588790500 /nfs/dbraw/zinc/79/05/00/588790500.db2.gz YGTITUTWBZXQAC-UHFFFAOYSA-N 1 2 229.230 1.271 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc(C2CC2)ccn1 ZINC000854531348 588790767 /nfs/dbraw/zinc/79/07/67/588790767.db2.gz NGAXGYVCFOFWMY-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO CCC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854572622 588794804 /nfs/dbraw/zinc/79/48/04/588794804.db2.gz DFRCICVPROZCRE-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)c1ccccn1)c1[nH]cc[nH+]1 ZINC000854594886 588796329 /nfs/dbraw/zinc/79/63/29/588796329.db2.gz QYTBZOJLDMMDCU-VHSXEESVSA-N 1 2 244.298 1.786 20 0 BDADLO CCC(CC)(CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854606602 588797009 /nfs/dbraw/zinc/79/70/09/588797009.db2.gz DHRJQTYRTTVAPX-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO O=C(NOCCC1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854639773 588798630 /nfs/dbraw/zinc/79/86/30/588798630.db2.gz FFSHZDBNYIYFOD-SNVBAGLBSA-N 1 2 249.314 1.363 20 0 BDADLO O=C(NOCCC1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854639773 588798631 /nfs/dbraw/zinc/79/86/31/588798631.db2.gz FFSHZDBNYIYFOD-SNVBAGLBSA-N 1 2 249.314 1.363 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOCCC1CC1 ZINC000854640657 588798959 /nfs/dbraw/zinc/79/89/59/588798959.db2.gz VCRNUNBQERWUTP-GHMZBOCLSA-N 1 2 249.314 1.372 20 0 BDADLO CCc1ccncc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000855028265 588821277 /nfs/dbraw/zinc/82/12/77/588821277.db2.gz PIVUOUHVVFANBQ-UHFFFAOYSA-N 1 2 230.271 1.548 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)[C@H]1C ZINC000854955499 588818816 /nfs/dbraw/zinc/81/88/16/588818816.db2.gz YVKHWOHEPQSYFS-UTLUCORTSA-N 1 2 221.304 1.455 20 0 BDADLO C[C@H]1C[C@H]1c1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000855002116 588820021 /nfs/dbraw/zinc/82/00/21/588820021.db2.gz OQAZAZBCCHKVSX-JGVFFNPUSA-N 1 2 245.286 1.437 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C2CCC2)CC1 ZINC000855023097 588820591 /nfs/dbraw/zinc/82/05/91/588820591.db2.gz QSAYICBAJQOTKF-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO CC(C)Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000855085227 588822318 /nfs/dbraw/zinc/82/23/18/588822318.db2.gz QMZQIZYMMXZYMV-UHFFFAOYSA-N 1 2 247.302 1.513 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1=CCCCO1 ZINC000855134376 588822877 /nfs/dbraw/zinc/82/28/77/588822877.db2.gz MFTDYYVYSRREBH-UHFFFAOYSA-N 1 2 221.260 1.062 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1=CCCCO1 ZINC000855134376 588822878 /nfs/dbraw/zinc/82/28/78/588822878.db2.gz MFTDYYVYSRREBH-UHFFFAOYSA-N 1 2 221.260 1.062 20 0 BDADLO CCC/C=C\C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135427 588823211 /nfs/dbraw/zinc/82/32/11/588823211.db2.gz KSOGVTZCFXNRJZ-WAYWQWQTSA-N 1 2 207.277 1.724 20 0 BDADLO CCC/C=C\C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135427 588823212 /nfs/dbraw/zinc/82/32/12/588823212.db2.gz KSOGVTZCFXNRJZ-WAYWQWQTSA-N 1 2 207.277 1.724 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1SCCS1 ZINC000855137164 588823366 /nfs/dbraw/zinc/82/33/66/588823366.db2.gz ZCQJUUJXWZRVKO-UHFFFAOYSA-N 1 2 243.357 1.174 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1SCCS1 ZINC000855137164 588823367 /nfs/dbraw/zinc/82/33/67/588823367.db2.gz ZCQJUUJXWZRVKO-UHFFFAOYSA-N 1 2 243.357 1.174 20 0 BDADLO CCCCC[C@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135349 588823397 /nfs/dbraw/zinc/82/33/97/588823397.db2.gz KDOJXWYXJHWYAY-NSHDSACASA-N 1 2 239.319 1.309 20 0 BDADLO CCCCC[C@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135349 588823398 /nfs/dbraw/zinc/82/33/98/588823398.db2.gz KDOJXWYXJHWYAY-NSHDSACASA-N 1 2 239.319 1.309 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000855409863 588831900 /nfs/dbraw/zinc/83/19/00/588831900.db2.gz GWZVNXMUBAFIID-AMYKANGRSA-N 1 2 240.347 1.178 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000855409863 588831901 /nfs/dbraw/zinc/83/19/01/588831901.db2.gz GWZVNXMUBAFIID-AMYKANGRSA-N 1 2 240.347 1.178 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000855432733 588835571 /nfs/dbraw/zinc/83/55/71/588835571.db2.gz NJPZDDLPQOLUNA-QWRGUYRKSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC/C=C\Cl ZINC000891200736 582626596 /nfs/dbraw/zinc/62/65/96/582626596.db2.gz FYEUCNGCTICJAZ-IHWYPQMZSA-N 1 2 213.668 1.129 20 0 BDADLO CN1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000891391741 582676475 /nfs/dbraw/zinc/67/64/75/582676475.db2.gz XEAGYOIAQMUVDJ-UHFFFAOYSA-N 1 2 232.327 1.369 20 0 BDADLO COc1nccc(C[NH+]2CCC(O)CC2)c1F ZINC000891490802 582692832 /nfs/dbraw/zinc/69/28/32/582692832.db2.gz INOQBYHGAIDRPI-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO CSCCNc1cc(N(C)C)nc[nH+]1 ZINC000891511276 582694666 /nfs/dbraw/zinc/69/46/66/582694666.db2.gz RUCVLCKWBXBODZ-UHFFFAOYSA-N 1 2 212.322 1.318 20 0 BDADLO CSCCNc1cc(N(C)C)[nH+]cn1 ZINC000891511276 582694667 /nfs/dbraw/zinc/69/46/67/582694667.db2.gz RUCVLCKWBXBODZ-UHFFFAOYSA-N 1 2 212.322 1.318 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000891558255 582697375 /nfs/dbraw/zinc/69/73/75/582697375.db2.gz CKFZOPXSCVGZDU-VXGBXAGGSA-N 1 2 248.330 1.537 20 0 BDADLO COc1nccc(C[N@H+](CCO)C2CC2)c1F ZINC000891619358 582702741 /nfs/dbraw/zinc/70/27/41/582702741.db2.gz NCYNPJYAIBFISP-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO COc1nccc(C[N@@H+](CCO)C2CC2)c1F ZINC000891619358 582702743 /nfs/dbraw/zinc/70/27/43/582702743.db2.gz NCYNPJYAIBFISP-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO CCc1cc(NCc2nncn2C)nc(CC)[nH+]1 ZINC000891709076 582711045 /nfs/dbraw/zinc/71/10/45/582711045.db2.gz NFKAXMLVBBQPSD-UHFFFAOYSA-N 1 2 246.318 1.342 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)Cn2cccn2)[nH+]1 ZINC000891793358 582722023 /nfs/dbraw/zinc/72/20/23/582722023.db2.gz KSNBBGXXLZTMDG-WDEREUQCSA-N 1 2 246.314 1.832 20 0 BDADLO CN(Cc1ccoc1)c1nc(N)[nH+]c(C2CC2)n1 ZINC000891954819 582745340 /nfs/dbraw/zinc/74/53/40/582745340.db2.gz HIGWXPMVCGDMDQ-UHFFFAOYSA-N 1 2 245.286 1.561 20 0 BDADLO CN(Cc1ccoc1)c1nc(N)nc(C2CC2)[nH+]1 ZINC000891954819 582745342 /nfs/dbraw/zinc/74/53/42/582745342.db2.gz HIGWXPMVCGDMDQ-UHFFFAOYSA-N 1 2 245.286 1.561 20 0 BDADLO C[C@]1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1(F)F ZINC000855806814 588849381 /nfs/dbraw/zinc/84/93/81/588849381.db2.gz OBUGYQQBLXGSQF-JTQLQIEISA-N 1 2 243.257 1.504 20 0 BDADLO CN(Cc1cn[nH]c1)Cc1[nH+]ccn1C1CC1 ZINC000892049071 582774265 /nfs/dbraw/zinc/77/42/65/582774265.db2.gz FVWBGWNSMWACOB-UHFFFAOYSA-N 1 2 231.303 1.573 20 0 BDADLO C[C@H](Cn1cncn1)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892126597 582796214 /nfs/dbraw/zinc/79/62/14/582796214.db2.gz FDTLWTQVGPPFDW-ZJUUUORDSA-N 1 2 247.302 1.227 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000780245827 582819792 /nfs/dbraw/zinc/81/97/92/582819792.db2.gz PYGRGUOJSHKREK-VXGBXAGGSA-N 1 2 243.347 1.544 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000855933032 588854483 /nfs/dbraw/zinc/85/44/83/588854483.db2.gz WWKCOYLZEASXQP-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H](C)[C@](C)(O)CNc1cc(NC)nc[nH+]1 ZINC000892501469 582899305 /nfs/dbraw/zinc/89/93/05/582899305.db2.gz JCRSWYKUKKBCHA-JOYOIKCWSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892502606 582899781 /nfs/dbraw/zinc/89/97/81/582899781.db2.gz ULZDARPEYTXHCO-NXEZZACHSA-N 1 2 238.335 1.362 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892502606 582899785 /nfs/dbraw/zinc/89/97/85/582899785.db2.gz ULZDARPEYTXHCO-NXEZZACHSA-N 1 2 238.335 1.362 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@@H]2C[C@]2(CO)C1 ZINC000782407205 582900624 /nfs/dbraw/zinc/90/06/24/582900624.db2.gz OTBMEVZSYFAWOE-IINYFYTJSA-N 1 2 243.310 1.392 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc[nH]n2)c(C2CC2)n1 ZINC000892515647 582904750 /nfs/dbraw/zinc/90/47/50/582904750.db2.gz VUWYECVNBYGGOY-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO C[C@H]1C[C@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000892642227 582936394 /nfs/dbraw/zinc/93/63/94/582936394.db2.gz OKCWDENKQPMJBQ-UWVGGRQHSA-N 1 2 216.288 1.964 20 0 BDADLO C[C@H](NC(=O)/C=C/[C@H]1CCOC1)c1[nH+]ccn1C ZINC000856280182 588866798 /nfs/dbraw/zinc/86/67/98/588866798.db2.gz KFXTWYAQDPAKQM-SEUFLZDSSA-N 1 2 249.314 1.190 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856280941 588866867 /nfs/dbraw/zinc/86/68/67/588866867.db2.gz KGLOPUPXUQKVPR-QROTZFDESA-N 1 2 221.304 1.954 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCOC(F)F)C1CC1 ZINC000851885755 582976201 /nfs/dbraw/zinc/97/62/01/582976201.db2.gz LBSVNKDGGTUPBQ-SNVBAGLBSA-N 1 2 237.246 1.157 20 0 BDADLO CNc1cc(NC[C@@H](OC)C(C)(C)C)[nH+]cn1 ZINC000892755802 582977279 /nfs/dbraw/zinc/97/72/79/582977279.db2.gz QCGMLTPGGQSNOM-SECBINFHSA-N 1 2 238.335 1.991 20 0 BDADLO CN(CCOCC1CC1)c1nccn2c[nH+]cc12 ZINC000892883502 583002486 /nfs/dbraw/zinc/00/24/86/583002486.db2.gz NRVKBXJGYGMZPS-UHFFFAOYSA-N 1 2 246.314 1.592 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc[nH+]1 ZINC000892920642 583009584 /nfs/dbraw/zinc/00/95/84/583009584.db2.gz PHYMWPZORDNSTH-AXFHLTTASA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)[nH+]cn1 ZINC000892920642 583009586 /nfs/dbraw/zinc/00/95/86/583009586.db2.gz PHYMWPZORDNSTH-AXFHLTTASA-N 1 2 248.330 1.888 20 0 BDADLO Cn1ncc(C[NH+]2CCC(c3ccco3)CC2)n1 ZINC000852321870 583012995 /nfs/dbraw/zinc/01/29/95/583012995.db2.gz UUCRQNDZSNNNSN-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO C[C@H](Nc1nc(N)[nH+]c(C2CC2)n1)c1ccc[nH]1 ZINC000893024811 583031193 /nfs/dbraw/zinc/03/11/93/583031193.db2.gz WBOHWVAFKRMAHA-ZETCQYMHSA-N 1 2 244.302 1.832 20 0 BDADLO C[C@H](Nc1nc(N)nc(C2CC2)[nH+]1)c1ccc[nH]1 ZINC000893024811 583031195 /nfs/dbraw/zinc/03/11/95/583031195.db2.gz WBOHWVAFKRMAHA-ZETCQYMHSA-N 1 2 244.302 1.832 20 0 BDADLO C[C@H](NC(=O)C1(C2CC2)CC1)c1[nH+]ccn1C ZINC000893044810 583036314 /nfs/dbraw/zinc/03/63/14/583036314.db2.gz OIDMMKADQNSQQQ-VIFPVBQESA-N 1 2 233.315 1.788 20 0 BDADLO C[C@@](CO)([NH2+]Cc1cocn1)c1ccccc1 ZINC000395149082 583045369 /nfs/dbraw/zinc/04/53/69/583045369.db2.gz IOVPBBKFHNPVNB-ZDUSSCGKSA-N 1 2 232.283 1.672 20 0 BDADLO O=S(=O)(CC[NH+]1CCC1)C1CCCCC1 ZINC000856724824 588875167 /nfs/dbraw/zinc/87/51/67/588875167.db2.gz BEGATSQNLPAMHO-UHFFFAOYSA-N 1 2 231.361 1.440 20 0 BDADLO C[C@@H](O)c1cccc(NCC(F)(F)CO)[nH+]1 ZINC000893214622 583072570 /nfs/dbraw/zinc/07/25/70/583072570.db2.gz XQPXMWAAIZSNFD-SSDOTTSWSA-N 1 2 232.230 1.174 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccco2)c(Cl)n1 ZINC000856763664 588876377 /nfs/dbraw/zinc/87/63/77/588876377.db2.gz HUKYHBLRERQSHV-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO CCOC[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893269100 583081066 /nfs/dbraw/zinc/08/10/66/583081066.db2.gz MFKGAOLIFAFAQS-VHSXEESVSA-N 1 2 224.304 1.972 20 0 BDADLO CCOC[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893269099 583081225 /nfs/dbraw/zinc/08/12/25/583081225.db2.gz MFKGAOLIFAFAQS-UWVGGRQHSA-N 1 2 224.304 1.972 20 0 BDADLO C[C@@H](O)c1cccc(NCC2(CCO)CC2)[nH+]1 ZINC000893283596 583085353 /nfs/dbraw/zinc/08/53/53/583085353.db2.gz WBCADBYTAMNEBL-SNVBAGLBSA-N 1 2 236.315 1.709 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCC=CO2)[nH+]cn1 ZINC000893368274 583127572 /nfs/dbraw/zinc/12/75/72/583127572.db2.gz QMPPNXCXGFQOQR-SNVBAGLBSA-N 1 2 234.303 1.647 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCC=CO2)nc[nH+]1 ZINC000893368274 583127575 /nfs/dbraw/zinc/12/75/75/583127575.db2.gz QMPPNXCXGFQOQR-SNVBAGLBSA-N 1 2 234.303 1.647 20 0 BDADLO CO[C@@H]1CN(c2nccn3c[nH+]cc23)CC[C@H]1C ZINC000893390155 583134161 /nfs/dbraw/zinc/13/41/61/583134161.db2.gz ZWMIFCPUTZTRLE-ZYHUDNBSSA-N 1 2 246.314 1.591 20 0 BDADLO CCOCC[N@H+](C)Cc1nccn1C1CC1 ZINC000893428694 583142172 /nfs/dbraw/zinc/14/21/72/583142172.db2.gz WZTLVZZNRBRWQT-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO CCn1ccc(CN(C)c2cc(NC)[nH+]cn2)c1 ZINC000893443498 583144654 /nfs/dbraw/zinc/14/46/54/583144654.db2.gz IHFIRRSFOLWYMH-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCn1ccc(CN(C)c2cc(NC)nc[nH+]2)c1 ZINC000893443498 583144656 /nfs/dbraw/zinc/14/46/56/583144656.db2.gz IHFIRRSFOLWYMH-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO Cc1cnc(Cl)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000893553548 583163435 /nfs/dbraw/zinc/16/34/35/583163435.db2.gz OKPMHPUCUNNBDR-UHFFFAOYSA-N 1 2 239.706 1.151 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000893578290 583166762 /nfs/dbraw/zinc/16/67/62/583166762.db2.gz KSTIAZUXEHQSBA-RNFRBKRXSA-N 1 2 243.332 1.449 20 0 BDADLO Cn1cc(C[N@H+](C)CC2(CO)CC2)c(Cl)n1 ZINC000857040317 588883397 /nfs/dbraw/zinc/88/33/97/588883397.db2.gz QSHDGJLCBWPZKX-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1cc(C[N@@H+](C)CC2(CO)CC2)c(Cl)n1 ZINC000857040317 588883398 /nfs/dbraw/zinc/88/33/98/588883398.db2.gz QSHDGJLCBWPZKX-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000857040903 588883604 /nfs/dbraw/zinc/88/36/04/588883604.db2.gz KPPOKTKJVKCBNS-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000857040903 588883605 /nfs/dbraw/zinc/88/36/05/588883605.db2.gz KPPOKTKJVKCBNS-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO FC(F)[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000893682193 583198595 /nfs/dbraw/zinc/19/85/95/583198595.db2.gz QELYXLPJJUDRQJ-QMMMGPOBSA-N 1 2 238.241 1.821 20 0 BDADLO CNc1cc(N2CCC[C@H]2[C@@H]2CCCO2)nc[nH+]1 ZINC000893735779 583216475 /nfs/dbraw/zinc/21/64/75/583216475.db2.gz TVXPPWKULPTJDE-QWRGUYRKSA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CCC[C@H]2[C@@H]2CCCO2)[nH+]cn1 ZINC000893735779 583216478 /nfs/dbraw/zinc/21/64/78/583216478.db2.gz TVXPPWKULPTJDE-QWRGUYRKSA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CC[C@]3(C2)CCCOC3)nc[nH+]1 ZINC000893741097 583216565 /nfs/dbraw/zinc/21/65/65/583216565.db2.gz MRXJWHBWXPEEED-ZDUSSCGKSA-N 1 2 248.330 1.525 20 0 BDADLO CNc1cc(N2CC[C@]3(C2)CCCOC3)[nH+]cn1 ZINC000893741097 583216566 /nfs/dbraw/zinc/21/65/66/583216566.db2.gz MRXJWHBWXPEEED-ZDUSSCGKSA-N 1 2 248.330 1.525 20 0 BDADLO CC(C)[C@@H](CO)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893860679 583233903 /nfs/dbraw/zinc/23/39/03/583233903.db2.gz WIONWQVGLKOKPL-WDEREUQCSA-N 1 2 238.331 1.811 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](CO)C2)c1C ZINC000893864187 583234725 /nfs/dbraw/zinc/23/47/25/583234725.db2.gz SCJCSFCGJGIJMV-NSHDSACASA-N 1 2 223.320 1.231 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](CO)C2)c1C ZINC000893864187 583234728 /nfs/dbraw/zinc/23/47/28/583234728.db2.gz SCJCSFCGJGIJMV-NSHDSACASA-N 1 2 223.320 1.231 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000893917205 583246868 /nfs/dbraw/zinc/24/68/68/583246868.db2.gz TXZDAOPFGSDVIZ-RQJHMYQMSA-N 1 2 237.307 1.167 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000893917205 583246869 /nfs/dbraw/zinc/24/68/69/583246869.db2.gz TXZDAOPFGSDVIZ-RQJHMYQMSA-N 1 2 237.307 1.167 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ocnc2C)CCO1 ZINC000893920011 583247847 /nfs/dbraw/zinc/24/78/47/583247847.db2.gz NZNMTQOJZAJBHJ-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ocnc2C)CCO1 ZINC000893920011 583247851 /nfs/dbraw/zinc/24/78/51/583247851.db2.gz NZNMTQOJZAJBHJ-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CO[C@@H](CNc1cc(N(C)C)nc[nH+]1)C1CC1 ZINC000893989497 583270485 /nfs/dbraw/zinc/27/04/85/583270485.db2.gz XJSOVFHGOCQGQQ-JTQLQIEISA-N 1 2 236.319 1.380 20 0 BDADLO CO[C@@H](CNc1cc(N(C)C)[nH+]cn1)C1CC1 ZINC000893989497 583270486 /nfs/dbraw/zinc/27/04/86/583270486.db2.gz XJSOVFHGOCQGQQ-JTQLQIEISA-N 1 2 236.319 1.380 20 0 BDADLO Cc1coc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000894002832 583272632 /nfs/dbraw/zinc/27/26/32/583272632.db2.gz SGXFFXPKPUXAIE-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1coc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000894002832 583272634 /nfs/dbraw/zinc/27/26/34/583272634.db2.gz SGXFFXPKPUXAIE-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO C[C@H](CCCO)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894029398 583281530 /nfs/dbraw/zinc/28/15/30/583281530.db2.gz DCSWFVJXVJBHPC-MNOVXSKESA-N 1 2 238.331 1.955 20 0 BDADLO Cc1coc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000894096589 583301073 /nfs/dbraw/zinc/30/10/73/583301073.db2.gz WDLQADMTHTWGJU-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H](O)c1cccc(NC[C@@]2(C)CCC(=O)N2)[nH+]1 ZINC000894141298 583316912 /nfs/dbraw/zinc/31/69/12/583316912.db2.gz WEWGRZPHUGOUMF-TVQRCGJNSA-N 1 2 249.314 1.216 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000894178887 583328560 /nfs/dbraw/zinc/32/85/60/583328560.db2.gz QVDJZNVEEYHSBZ-OUAUKWLOSA-N 1 2 243.347 1.730 20 0 BDADLO CN(C)c1cc(N[C@H]2CC2(C)C)[nH+]cn1 ZINC000894189946 583332529 /nfs/dbraw/zinc/33/25/29/583332529.db2.gz LTYJLNFSGIMGET-QMMMGPOBSA-N 1 2 206.293 1.753 20 0 BDADLO CN(C)c1cc(N[C@H]2CC2(C)C)nc[nH+]1 ZINC000894189946 583332531 /nfs/dbraw/zinc/33/25/31/583332531.db2.gz LTYJLNFSGIMGET-QMMMGPOBSA-N 1 2 206.293 1.753 20 0 BDADLO C[N@H+](CC1=CCCOC1)[C@H]1CC(C)(C)OC1=O ZINC000814180511 583344640 /nfs/dbraw/zinc/34/46/40/583344640.db2.gz PWIMLEADOSCXFP-NSHDSACASA-N 1 2 239.315 1.359 20 0 BDADLO C[N@@H+](CC1=CCCOC1)[C@H]1CC(C)(C)OC1=O ZINC000814180511 583344641 /nfs/dbraw/zinc/34/46/41/583344641.db2.gz PWIMLEADOSCXFP-NSHDSACASA-N 1 2 239.315 1.359 20 0 BDADLO C[C@@H]1c2ccccc2OCC[N@H+]1CN1CCC1=O ZINC000857238071 588900804 /nfs/dbraw/zinc/90/08/04/588900804.db2.gz CBQXXLLHZUQDQP-LLVKDONJSA-N 1 2 246.310 1.632 20 0 BDADLO C[C@@H]1c2ccccc2OCC[N@@H+]1CN1CCC1=O ZINC000857238071 588900805 /nfs/dbraw/zinc/90/08/05/588900805.db2.gz CBQXXLLHZUQDQP-LLVKDONJSA-N 1 2 246.310 1.632 20 0 BDADLO CNc1cc(NC[C@@H](CC(C)C)OC)[nH+]cn1 ZINC000894229701 583384221 /nfs/dbraw/zinc/38/42/21/583384221.db2.gz URFJNHCXFBFQTB-SNVBAGLBSA-N 1 2 238.335 1.991 20 0 BDADLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000894257869 583395680 /nfs/dbraw/zinc/39/56/80/583395680.db2.gz ZLORBODAAVUWAC-LBPRGKRZSA-N 1 2 243.314 1.675 20 0 BDADLO CCn1nc(C)c(CNc2cc(NC)[nH+]cn2)n1 ZINC000894270073 583402544 /nfs/dbraw/zinc/40/25/44/583402544.db2.gz YCSLMJDCSQPGEI-UHFFFAOYSA-N 1 2 247.306 1.050 20 0 BDADLO CCn1nc(C)c(CNc2cc(NC)nc[nH+]2)n1 ZINC000894270073 583402547 /nfs/dbraw/zinc/40/25/47/583402547.db2.gz YCSLMJDCSQPGEI-UHFFFAOYSA-N 1 2 247.306 1.050 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)nc1)CN1CCC1=O ZINC000857228886 588896357 /nfs/dbraw/zinc/89/63/57/588896357.db2.gz GIDWTSPPUXVCGQ-UHFFFAOYSA-N 1 2 239.706 1.357 20 0 BDADLO C[N@H+](Cc1ccc(Cl)nc1)CN1CCC1=O ZINC000857228886 588896359 /nfs/dbraw/zinc/89/63/59/588896359.db2.gz GIDWTSPPUXVCGQ-UHFFFAOYSA-N 1 2 239.706 1.357 20 0 BDADLO Cc1cccc(OCC[N@@H+](C)CN2CCC2=O)c1 ZINC000857232342 588897702 /nfs/dbraw/zinc/89/77/02/588897702.db2.gz VUWRBJYJPWKQKA-UHFFFAOYSA-N 1 2 248.326 1.495 20 0 BDADLO Cc1cccc(OCC[N@H+](C)CN2CCC2=O)c1 ZINC000857232342 588897703 /nfs/dbraw/zinc/89/77/03/588897703.db2.gz VUWRBJYJPWKQKA-UHFFFAOYSA-N 1 2 248.326 1.495 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563246 583439092 /nfs/dbraw/zinc/43/90/92/583439092.db2.gz BSFRTHPKUCERLW-VHSXEESVSA-N 1 2 238.360 1.032 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563246 583439093 /nfs/dbraw/zinc/43/90/93/583439093.db2.gz BSFRTHPKUCERLW-VHSXEESVSA-N 1 2 238.360 1.032 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1C ZINC000894453343 583463709 /nfs/dbraw/zinc/46/37/09/583463709.db2.gz PUZHTVIKSZXHAZ-BCTVWOGZSA-N 1 2 243.376 1.225 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)[C@H](C)C[S@](C)=O)c1C ZINC000894453343 583463712 /nfs/dbraw/zinc/46/37/12/583463712.db2.gz PUZHTVIKSZXHAZ-BCTVWOGZSA-N 1 2 243.376 1.225 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000300890023 583464864 /nfs/dbraw/zinc/46/48/64/583464864.db2.gz UDUHDDCRUJELJY-GHMZBOCLSA-N 1 2 229.320 1.344 20 0 BDADLO C[S@@](=O)Cc1ccccc1NCc1c[nH+]c[nH]1 ZINC000894470930 583469299 /nfs/dbraw/zinc/46/92/99/583469299.db2.gz YNGKRSMLYKJKCH-QGZVFWFLSA-N 1 2 249.339 1.900 20 0 BDADLO C[S@@](=O)Cc1ccccc1NCc1c[nH]c[nH+]1 ZINC000894470930 583469303 /nfs/dbraw/zinc/46/93/03/583469303.db2.gz YNGKRSMLYKJKCH-QGZVFWFLSA-N 1 2 249.339 1.900 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccc(O)cc2)nn1 ZINC000894475912 583469681 /nfs/dbraw/zinc/46/96/81/583469681.db2.gz JRWMLFXPBRYKPR-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccc(O)cc2)nn1 ZINC000894475912 583469682 /nfs/dbraw/zinc/46/96/82/583469682.db2.gz JRWMLFXPBRYKPR-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894504069 583474021 /nfs/dbraw/zinc/47/40/21/583474021.db2.gz LOWBFLPCBYGQHW-LBPRGKRZSA-N 1 2 223.320 1.373 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894504069 583474022 /nfs/dbraw/zinc/47/40/22/583474022.db2.gz LOWBFLPCBYGQHW-LBPRGKRZSA-N 1 2 223.320 1.373 20 0 BDADLO CCOC(=O)[C@@H](C)NCc1[nH]cc(C(C)C)[nH+]1 ZINC000894539846 583480390 /nfs/dbraw/zinc/48/03/90/583480390.db2.gz XRCIAFHNYKEKGW-SECBINFHSA-N 1 2 239.319 1.574 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H](C)[C@H]1O ZINC000894545350 583481612 /nfs/dbraw/zinc/48/16/12/583481612.db2.gz UZSZHIQZYZXSTA-IAZYJMLFSA-N 1 2 246.314 1.182 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000894566691 583484777 /nfs/dbraw/zinc/48/47/77/583484777.db2.gz NADXGPAGRQCATP-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000894566691 583484780 /nfs/dbraw/zinc/48/47/80/583484780.db2.gz NADXGPAGRQCATP-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO COc1cc(CCO)ccc1NCc1c[nH+]c[nH]1 ZINC000894571781 583486052 /nfs/dbraw/zinc/48/60/52/583486052.db2.gz XNFLREUCUQFHGL-UHFFFAOYSA-N 1 2 247.298 1.565 20 0 BDADLO COc1cc(CCO)ccc1NCc1c[nH]c[nH+]1 ZINC000894571781 583486053 /nfs/dbraw/zinc/48/60/53/583486053.db2.gz XNFLREUCUQFHGL-UHFFFAOYSA-N 1 2 247.298 1.565 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000894576669 583487516 /nfs/dbraw/zinc/48/75/16/583487516.db2.gz DCXVVZXJHQCMCG-BDAKNGLRSA-N 1 2 234.303 1.234 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](O)C23CCC3)[nH+]cn1 ZINC000894576669 583487517 /nfs/dbraw/zinc/48/75/17/583487517.db2.gz DCXVVZXJHQCMCG-BDAKNGLRSA-N 1 2 234.303 1.234 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H](O)C23CCC3)[nH+]cn1 ZINC000894576991 583487855 /nfs/dbraw/zinc/48/78/55/583487855.db2.gz MZLULSYDYZWVRK-NXEZZACHSA-N 1 2 248.330 1.258 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000894576991 583487856 /nfs/dbraw/zinc/48/78/56/583487856.db2.gz MZLULSYDYZWVRK-NXEZZACHSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000894585065 583489422 /nfs/dbraw/zinc/48/94/22/583489422.db2.gz BMNKMZNXGUKMSB-QWRGUYRKSA-N 1 2 225.336 1.903 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000894585065 583489424 /nfs/dbraw/zinc/48/94/24/583489424.db2.gz BMNKMZNXGUKMSB-QWRGUYRKSA-N 1 2 225.336 1.903 20 0 BDADLO Cc1[nH]nc(C[NH+]2CC([C@H]3CCOC3)C2)c1C ZINC000894605406 583491329 /nfs/dbraw/zinc/49/13/29/583491329.db2.gz YKOKFVCCHPEXJN-NSHDSACASA-N 1 2 235.331 1.495 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]C(CF)CF)[C@H]1OC ZINC000894666972 583502240 /nfs/dbraw/zinc/50/22/40/583502240.db2.gz JXTFHMQOAWPWAO-IVZWLZJFSA-N 1 2 223.263 1.076 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CC[C@@H](F)C1)CCC2 ZINC000894673028 583504425 /nfs/dbraw/zinc/50/44/25/583504425.db2.gz XUHWUIFQUOVMCN-SECBINFHSA-N 1 2 223.295 1.453 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CC[C@@H](F)C1)CCC2 ZINC000894673028 583504426 /nfs/dbraw/zinc/50/44/26/583504426.db2.gz XUHWUIFQUOVMCN-SECBINFHSA-N 1 2 223.295 1.453 20 0 BDADLO CCc1nc(C[NH2+][C@H](C)COC(C)=O)co1 ZINC000894750554 583515883 /nfs/dbraw/zinc/51/58/83/583515883.db2.gz JNGQKLQMZOXOPO-MRVPVSSYSA-N 1 2 226.276 1.278 20 0 BDADLO CN(C)c1cc(N[C@H]2CO[C@@H](C3CC3)C2)[nH+]cn1 ZINC000894778502 583519702 /nfs/dbraw/zinc/51/97/02/583519702.db2.gz QKQBBRUZLRABOV-GHMZBOCLSA-N 1 2 248.330 1.522 20 0 BDADLO CN(C)c1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc[nH+]1 ZINC000894778502 583519703 /nfs/dbraw/zinc/51/97/03/583519703.db2.gz QKQBBRUZLRABOV-GHMZBOCLSA-N 1 2 248.330 1.522 20 0 BDADLO CCc1cc(C)nc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000894791108 583520186 /nfs/dbraw/zinc/52/01/86/583520186.db2.gz SOFKNLJSZZMPAI-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccc(O)c(F)c2)C1 ZINC000894823105 583525767 /nfs/dbraw/zinc/52/57/67/583525767.db2.gz WXTAEMHWOYHSCE-UHFFFAOYSA-N 1 2 239.290 1.734 20 0 BDADLO c1cn(C2CC2)c(C[NH+]2CC3(C2)CCOCC3)n1 ZINC000894831120 583527748 /nfs/dbraw/zinc/52/77/48/583527748.db2.gz YSALWXSFBFTWSO-UHFFFAOYSA-N 1 2 247.342 1.830 20 0 BDADLO CC1(O)C[NH+](Cc2cccc3c2OCC3)C1 ZINC000894831355 583528287 /nfs/dbraw/zinc/52/82/87/583528287.db2.gz VMXFVCPQOUKBHO-UHFFFAOYSA-N 1 2 219.284 1.188 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(CO)C2)o1 ZINC000894839562 583529209 /nfs/dbraw/zinc/52/92/09/583529209.db2.gz FOGYLTOBJOOCQY-UHFFFAOYSA-N 1 2 211.261 1.102 20 0 BDADLO COc1nccc(C[NH+]2CC(C)(CO)C2)c1F ZINC000894840560 583529733 /nfs/dbraw/zinc/52/97/33/583529733.db2.gz LYYSKASARMKRSC-UHFFFAOYSA-N 1 2 240.278 1.044 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)s1 ZINC000894861960 583535304 /nfs/dbraw/zinc/53/53/04/583535304.db2.gz PXYMMJLMOUTVAF-SFYZADRCSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2C[C@@H](C)[C@@H]2C)s1 ZINC000894861960 583535305 /nfs/dbraw/zinc/53/53/05/583535305.db2.gz PXYMMJLMOUTVAF-SFYZADRCSA-N 1 2 240.328 1.770 20 0 BDADLO Cc1ncoc1C[N@@H+](C(C)C)C1COC1 ZINC000894869413 583539781 /nfs/dbraw/zinc/53/97/81/583539781.db2.gz VIBBJTSJWLSFQL-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@H+](C(C)C)C1COC1 ZINC000894869413 583539782 /nfs/dbraw/zinc/53/97/82/583539782.db2.gz VIBBJTSJWLSFQL-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO COC[C@]1(C)CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894873634 583541130 /nfs/dbraw/zinc/54/11/30/583541130.db2.gz JYGPXODRNZUZFE-CYBMUJFWSA-N 1 2 237.347 1.885 20 0 BDADLO O=c1oc2ccc(C[N@H+]3CC[C@H](F)C3)cc2o1 ZINC000894875265 583541809 /nfs/dbraw/zinc/54/18/09/583541809.db2.gz ZZWBEMZGFLIAFX-VIFPVBQESA-N 1 2 237.230 1.930 20 0 BDADLO O=c1oc2ccc(C[N@@H+]3CC[C@H](F)C3)cc2o1 ZINC000894875265 583541810 /nfs/dbraw/zinc/54/18/10/583541810.db2.gz ZZWBEMZGFLIAFX-VIFPVBQESA-N 1 2 237.230 1.930 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000857762467 588909930 /nfs/dbraw/zinc/90/99/30/588909930.db2.gz DPBHLVGZTDCFCS-IJLUTSLNSA-N 1 2 240.347 1.613 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000894913482 583554947 /nfs/dbraw/zinc/55/49/47/583554947.db2.gz PDJMPSDLXFMHGO-JQWIXIFHSA-N 1 2 248.330 1.504 20 0 BDADLO CCc1nc(C[NH2+]Cc2ocnc2C)co1 ZINC000894917535 583555695 /nfs/dbraw/zinc/55/56/95/583555695.db2.gz MTYNQYLQQCOUOM-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C(=O)OC(C)(C)C ZINC000894954234 583560045 /nfs/dbraw/zinc/56/00/45/583560045.db2.gz KSNRSTLRXPSANW-LNLATYFQSA-N 1 2 229.320 1.220 20 0 BDADLO CCOC1C[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000894970693 583561020 /nfs/dbraw/zinc/56/10/20/583561020.db2.gz KUTILBLPBDCLNO-UHFFFAOYSA-N 1 2 249.266 1.607 20 0 BDADLO c1nc(C[NH+]2CC3(C2)CCCOC3)c[nH]1 ZINC000894975526 583562296 /nfs/dbraw/zinc/56/22/96/583562296.db2.gz BYRRNERSLSOJAH-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO c1ncc(C[NH+]2CC3(C2)CCCOC3)[nH]1 ZINC000894975526 583562298 /nfs/dbraw/zinc/56/22/98/583562298.db2.gz BYRRNERSLSOJAH-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO Cc1coc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000895014759 583569070 /nfs/dbraw/zinc/56/90/70/583569070.db2.gz NFDYAWLFGGDYTJ-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000895014759 583569072 /nfs/dbraw/zinc/56/90/72/583569072.db2.gz NFDYAWLFGGDYTJ-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ncoc1CNc1cc(CO)cc[nH+]1 ZINC000895038389 583570541 /nfs/dbraw/zinc/57/05/41/583570541.db2.gz OURNEBQLKCDLSR-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO CCC[C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000881529994 583573429 /nfs/dbraw/zinc/57/34/29/583573429.db2.gz MOZZDZFQCWMVKI-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO Cn1ccc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000793252095 583579274 /nfs/dbraw/zinc/57/92/74/583579274.db2.gz FJDMAGMAHMASHJ-UHFFFAOYSA-N 1 2 233.271 1.158 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1cnccn1 ZINC000133058028 583580040 /nfs/dbraw/zinc/58/00/40/583580040.db2.gz BMJRMKIHFDBAFP-UHFFFAOYSA-N 1 2 217.276 1.200 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@@H](C)CCO)C(=O)OC ZINC000895085272 583584473 /nfs/dbraw/zinc/58/44/73/583584473.db2.gz GXNHJFYWIHVVRB-DCAQKATOSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@@H](C)CCO)C(=O)OC ZINC000895085273 583584511 /nfs/dbraw/zinc/58/45/11/583584511.db2.gz GXNHJFYWIHVVRB-GARJFASQSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)c1c[nH]c(CN2CN(C)C(=O)[C@H]2C)[nH+]1 ZINC000895087195 583584830 /nfs/dbraw/zinc/58/48/30/583584830.db2.gz BJWDKVCBPQTUJL-SECBINFHSA-N 1 2 236.319 1.153 20 0 BDADLO CN(C)c1cc(N[C@H]2CC23CCC3)[nH+]cn1 ZINC000895091674 583587602 /nfs/dbraw/zinc/58/76/02/583587602.db2.gz YHJULNHJRATYBW-VIFPVBQESA-N 1 2 218.304 1.897 20 0 BDADLO CN(C)c1cc(N[C@H]2CC23CCC3)nc[nH+]1 ZINC000895091674 583587604 /nfs/dbraw/zinc/58/76/04/583587604.db2.gz YHJULNHJRATYBW-VIFPVBQESA-N 1 2 218.304 1.897 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@H](C)CCO ZINC000895106475 583589660 /nfs/dbraw/zinc/58/96/60/583589660.db2.gz XIMIORUKZIYKSH-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cccc(O)c2)[C@H]1C ZINC000895112277 583590855 /nfs/dbraw/zinc/59/08/55/583590855.db2.gz CGJACNJUELQQLG-DCAQKATOSA-N 1 2 248.326 1.490 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cccc(O)c2)[C@H]1C ZINC000895112277 583590857 /nfs/dbraw/zinc/59/08/57/583590857.db2.gz CGJACNJUELQQLG-DCAQKATOSA-N 1 2 248.326 1.490 20 0 BDADLO CCn1ccnc1SCc1cn(C)c[nH+]1 ZINC000882089131 583591205 /nfs/dbraw/zinc/59/12/05/583591205.db2.gz NRKOPNARWBFKHG-UHFFFAOYSA-N 1 2 222.317 1.929 20 0 BDADLO Cc1coc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1 ZINC000895120602 583594349 /nfs/dbraw/zinc/59/43/49/583594349.db2.gz MSUUUPSCNYSCRI-HBNTYKKESA-N 1 2 236.315 1.685 20 0 BDADLO Cc1coc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1 ZINC000895120602 583594352 /nfs/dbraw/zinc/59/43/52/583594352.db2.gz MSUUUPSCNYSCRI-HBNTYKKESA-N 1 2 236.315 1.685 20 0 BDADLO COC(=O)[C@H]1CCN(c2nc[nH+]c(C)c2C)[C@H]1C ZINC000882240930 583600410 /nfs/dbraw/zinc/60/04/10/583600410.db2.gz LRRWUSBOOQCUFV-QWRGUYRKSA-N 1 2 249.314 1.481 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC000895172843 583613134 /nfs/dbraw/zinc/61/31/34/583613134.db2.gz SXBOFDPJSLMZNH-GJMOJQLCSA-N 1 2 242.348 1.065 20 0 BDADLO CCONC(=O)C[NH2+]CCCCC(C)C ZINC000895177351 583616034 /nfs/dbraw/zinc/61/60/34/583616034.db2.gz UBMQPQQZONUTRE-UHFFFAOYSA-N 1 2 216.325 1.470 20 0 BDADLO C[C@H]([NH2+]C1CC(C(F)F)C1)c1n[nH]c(=O)n1C ZINC000895177758 583616310 /nfs/dbraw/zinc/61/63/10/583616310.db2.gz RXAWGUVIUZGZTF-VTSJMVTISA-N 1 2 246.261 1.215 20 0 BDADLO Cc1ccccc1C[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC000895185369 583619209 /nfs/dbraw/zinc/61/92/09/583619209.db2.gz ZUHODGLMCODHDR-JTQLQIEISA-N 1 2 246.314 1.680 20 0 BDADLO CCC(=O)COC(=O)c1ccc(C)[nH+]c1NC ZINC000727186644 583620873 /nfs/dbraw/zinc/62/08/73/583620873.db2.gz CQMVXIVELVZLHV-UHFFFAOYSA-N 1 2 236.271 1.568 20 0 BDADLO COCCCn1cc(C)c(NCc2c[nH+]c[nH]2)n1 ZINC000895197544 583623629 /nfs/dbraw/zinc/62/36/29/583623629.db2.gz MQELTSQFXBCMPY-UHFFFAOYSA-N 1 2 249.318 1.563 20 0 BDADLO COCCCn1cc(C)c(NCc2c[nH]c[nH+]2)n1 ZINC000895197544 583623631 /nfs/dbraw/zinc/62/36/31/583623631.db2.gz MQELTSQFXBCMPY-UHFFFAOYSA-N 1 2 249.318 1.563 20 0 BDADLO CCC(F)(F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857939128 588924255 /nfs/dbraw/zinc/92/42/55/588924255.db2.gz MSWKCDRQCCKMOE-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccn(C)n1 ZINC000857870223 588917966 /nfs/dbraw/zinc/91/79/66/588917966.db2.gz UZUFXYBBXQOYTH-BXKDBHETSA-N 1 2 245.330 1.871 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccn(C)n1 ZINC000857870223 588917967 /nfs/dbraw/zinc/91/79/67/588917967.db2.gz UZUFXYBBXQOYTH-BXKDBHETSA-N 1 2 245.330 1.871 20 0 BDADLO Cc1cnc(C[NH2+]C[C@@H]2CC(C)=NO2)o1 ZINC000895299248 583640703 /nfs/dbraw/zinc/64/07/03/583640703.db2.gz AOADRLRTDVDABI-VIFPVBQESA-N 1 2 209.249 1.237 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(OC)o2)nn1 ZINC000895357638 583657815 /nfs/dbraw/zinc/65/78/15/583657815.db2.gz HBVZAQXWGDJSQJ-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO c1cc2c(cn1)C[N@H+](CCOC1CCC1)C2 ZINC000857879730 588919331 /nfs/dbraw/zinc/91/93/31/588919331.db2.gz OTVZXOWAVOLYTN-UHFFFAOYSA-N 1 2 218.300 1.966 20 0 BDADLO c1cc2c(cn1)C[N@@H+](CCOC1CCC1)C2 ZINC000857879730 588919332 /nfs/dbraw/zinc/91/93/32/588919332.db2.gz OTVZXOWAVOLYTN-UHFFFAOYSA-N 1 2 218.300 1.966 20 0 BDADLO C[N@H+](Cc1nccn1C1CC1)CC1=CCCOC1 ZINC000895370894 583661836 /nfs/dbraw/zinc/66/18/36/583661836.db2.gz NPCKXQXINQLZQR-UHFFFAOYSA-N 1 2 247.342 1.997 20 0 BDADLO C[N@@H+](Cc1nccn1C1CC1)CC1=CCCOC1 ZINC000895370894 583661838 /nfs/dbraw/zinc/66/18/38/583661838.db2.gz NPCKXQXINQLZQR-UHFFFAOYSA-N 1 2 247.342 1.997 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCc2ccco2)c[nH+]1 ZINC000895427462 583668084 /nfs/dbraw/zinc/66/80/84/583668084.db2.gz IZKSFTLAPZHWNF-UHFFFAOYSA-N 1 2 247.298 1.836 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1CC[C@@H]1CCOC1 ZINC000895433604 583672045 /nfs/dbraw/zinc/67/20/45/583672045.db2.gz WUSHWKJJLNMJCZ-BDAKNGLRSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1CC[C@@H]1CCOC1 ZINC000895433604 583672046 /nfs/dbraw/zinc/67/20/46/583672046.db2.gz WUSHWKJJLNMJCZ-BDAKNGLRSA-N 1 2 205.248 1.752 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2ccns2)[nH+]1 ZINC000895452328 583676778 /nfs/dbraw/zinc/67/67/78/583676778.db2.gz JNWOQTXHLFTPKC-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1C ZINC000895460723 583677730 /nfs/dbraw/zinc/67/77/30/583677730.db2.gz TYAAGOMMJIQXKL-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@H](O)CC(C)(C)C2)c1C ZINC000895460723 583677732 /nfs/dbraw/zinc/67/77/32/583677732.db2.gz TYAAGOMMJIQXKL-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000895459652 583678019 /nfs/dbraw/zinc/67/80/19/583678019.db2.gz VPLSKEVQFOPGDL-KCJUWKMLSA-N 1 2 239.344 1.683 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC2CCCC2)c[nH+]1 ZINC000895479336 583680433 /nfs/dbraw/zinc/68/04/33/583680433.db2.gz NOKXHIFVPUNWRI-UHFFFAOYSA-N 1 2 235.331 1.985 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC1=NCCS1 ZINC000895479514 583680463 /nfs/dbraw/zinc/68/04/63/583680463.db2.gz WZXRWMGMTXHAMY-QMMMGPOBSA-N 1 2 241.360 1.078 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1=NCCS1 ZINC000895479514 583680464 /nfs/dbraw/zinc/68/04/64/583680464.db2.gz WZXRWMGMTXHAMY-QMMMGPOBSA-N 1 2 241.360 1.078 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C(F)=C1CCCC1 ZINC000857890675 588921385 /nfs/dbraw/zinc/92/13/85/588921385.db2.gz YHXJVWHZRWSFEN-SNVBAGLBSA-N 1 2 249.289 1.722 20 0 BDADLO CC(C(=O)N[C@H]1Cc2c[nH+]cn2C1)=C1CCC1 ZINC000857886300 588921494 /nfs/dbraw/zinc/92/14/94/588921494.db2.gz WXOBPPMHVAQVBI-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO CCCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857891440 588921616 /nfs/dbraw/zinc/92/16/16/588921616.db2.gz UWDGRDUMTHSLAN-NSHDSACASA-N 1 2 235.331 1.894 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)o1 ZINC000895628412 583698424 /nfs/dbraw/zinc/69/84/24/583698424.db2.gz URSNQFYPXQFGGF-JTQLQIEISA-N 1 2 243.278 1.849 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)o1 ZINC000895628412 583698426 /nfs/dbraw/zinc/69/84/26/583698426.db2.gz URSNQFYPXQFGGF-JTQLQIEISA-N 1 2 243.278 1.849 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2cnn(C)c2)c[nH+]1 ZINC000895688798 583706705 /nfs/dbraw/zinc/70/67/05/583706705.db2.gz ZPERJZNEUMJDFD-UHFFFAOYSA-N 1 2 247.302 1.299 20 0 BDADLO CC1(NC(=S)NCCn2cc[nH+]c2)CCC1 ZINC000840700815 583717265 /nfs/dbraw/zinc/71/72/65/583717265.db2.gz FOCZGNUOCSPOEG-UHFFFAOYSA-N 1 2 238.360 1.290 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@@H](C)CC2)[nH+]1 ZINC000895758419 583721357 /nfs/dbraw/zinc/72/13/57/583721357.db2.gz SAKFOQISJQBWMX-VIFPVBQESA-N 1 2 246.314 1.882 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC=CO1 ZINC000857947865 588924852 /nfs/dbraw/zinc/92/48/52/588924852.db2.gz DQLKUENICIUIOH-ZYHUDNBSSA-N 1 2 247.298 1.007 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000895808643 583729303 /nfs/dbraw/zinc/72/93/03/583729303.db2.gz LQDXTXQDRWVMEP-KBPBESRZSA-N 1 2 245.322 1.839 20 0 BDADLO CCC1(CC)[C@@H]([NH2+][C@H]2CCOC2=O)C[C@@H]1OC ZINC000895811040 583730464 /nfs/dbraw/zinc/73/04/64/583730464.db2.gz DIKDFNDQRSBDGU-DCAQKATOSA-N 1 2 241.331 1.485 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000895802883 583731601 /nfs/dbraw/zinc/73/16/01/583731601.db2.gz YCWLVIJECFFKBS-AGIUHOORSA-N 1 2 231.295 1.695 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000895808381 583732735 /nfs/dbraw/zinc/73/27/35/583732735.db2.gz LTDRCFYRFJTRFM-AAEUAGOBSA-N 1 2 246.310 1.234 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985714 588925611 /nfs/dbraw/zinc/92/56/11/588925611.db2.gz MBEJEXHLPIEQQZ-SFYZADRCSA-N 1 2 225.317 1.196 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979516 588925852 /nfs/dbraw/zinc/92/58/52/588925852.db2.gz CHQIYCTXGOLNEH-RKDXNWHRSA-N 1 2 219.288 1.490 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000857976075 588926447 /nfs/dbraw/zinc/92/64/47/588926447.db2.gz WUJAPISYBZIMTK-WISYIIOYSA-N 1 2 245.326 1.880 20 0 BDADLO Cc1cnn(C)c1C[NH+]1CC(OC(C)C)C1 ZINC000895955111 583752496 /nfs/dbraw/zinc/75/24/96/583752496.db2.gz PCUUHHOZDOPNMV-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977768 588926608 /nfs/dbraw/zinc/92/66/08/588926608.db2.gz HDBKNYGIZSREES-OTVCUZDGSA-N 1 2 219.288 1.800 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@@H](OC)C1 ZINC000895968191 583754262 /nfs/dbraw/zinc/75/42/62/583754262.db2.gz JHYBBKLGVMMRSR-LLVKDONJSA-N 1 2 243.328 1.561 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@@H](OC)C1 ZINC000895968191 583754263 /nfs/dbraw/zinc/75/42/63/583754263.db2.gz JHYBBKLGVMMRSR-LLVKDONJSA-N 1 2 243.328 1.561 20 0 BDADLO Cc1cnccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977088 588926642 /nfs/dbraw/zinc/92/66/42/588926642.db2.gz RQYDNDFKPCUKMA-LLVKDONJSA-N 1 2 242.282 1.461 20 0 BDADLO COCC1C[NH+](Cc2cc(F)ncc2F)C1 ZINC000895969480 583755275 /nfs/dbraw/zinc/75/52/75/583755275.db2.gz BXQLNYSDQQOULY-UHFFFAOYSA-N 1 2 228.242 1.438 20 0 BDADLO CC1=C(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCO1 ZINC000857981033 588927139 /nfs/dbraw/zinc/92/71/39/588927139.db2.gz WCEAHPLOVOTNLK-LLVKDONJSA-N 1 2 247.298 1.529 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980164 588927300 /nfs/dbraw/zinc/92/73/00/588927300.db2.gz JGQRKASFHUKJOO-UWVGGRQHSA-N 1 2 237.303 1.259 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980305 588927368 /nfs/dbraw/zinc/92/73/68/588927368.db2.gz XDBSVXZEGOYLFB-NXEZZACHSA-N 1 2 221.304 1.880 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)ccn1 ZINC000857979497 588927432 /nfs/dbraw/zinc/92/74/32/588927432.db2.gz PKDBGCWOCFNFJX-NSHDSACASA-N 1 2 242.282 1.461 20 0 BDADLO Cc1nscc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979839 588927548 /nfs/dbraw/zinc/92/75/48/588927548.db2.gz FWWNXIFOIKFNLD-SECBINFHSA-N 1 2 248.311 1.523 20 0 BDADLO O=C1C[C@@H](CCNc2cc[nH+]c(C3CC3)n2)CN1 ZINC000896141421 583774632 /nfs/dbraw/zinc/77/46/32/583774632.db2.gz PIJXYPVNNJUFML-SECBINFHSA-N 1 2 246.314 1.292 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896133935 583775091 /nfs/dbraw/zinc/77/50/91/583775091.db2.gz RCGMLUCHAWAVOR-KBVBSXBZSA-N 1 2 248.330 1.315 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896133935 583775092 /nfs/dbraw/zinc/77/50/92/583775092.db2.gz RCGMLUCHAWAVOR-KBVBSXBZSA-N 1 2 248.330 1.315 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896133935 583775093 /nfs/dbraw/zinc/77/50/93/583775093.db2.gz RCGMLUCHAWAVOR-KBVBSXBZSA-N 1 2 248.330 1.315 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000896133935 583775094 /nfs/dbraw/zinc/77/50/94/583775094.db2.gz RCGMLUCHAWAVOR-KBVBSXBZSA-N 1 2 248.330 1.315 20 0 BDADLO O=C(C[C@@H]1CCCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983452 588928397 /nfs/dbraw/zinc/92/83/97/588928397.db2.gz RZTPNUAKWPHJEC-WDEREUQCSA-N 1 2 249.314 1.403 20 0 BDADLO Cc1cc(NCC2CC3(C2)OCCO3)nc[nH+]1 ZINC000896151157 583776535 /nfs/dbraw/zinc/77/65/35/583776535.db2.gz JPOUUAGASPAIKJ-UHFFFAOYSA-N 1 2 235.287 1.350 20 0 BDADLO O=C(C[C@H]1CCCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983449 588928580 /nfs/dbraw/zinc/92/85/80/588928580.db2.gz RZTPNUAKWPHJEC-GHMZBOCLSA-N 1 2 249.314 1.403 20 0 BDADLO CCC[C@H](O)CCNc1cc[nH+]cc1F ZINC000896184217 583779583 /nfs/dbraw/zinc/77/95/83/583779583.db2.gz UHYOEXFSQCIATK-VIFPVBQESA-N 1 2 212.268 1.606 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](c3noc(C)n3)C2)n1 ZINC000896229704 583784321 /nfs/dbraw/zinc/78/43/21/583784321.db2.gz CSRQIERPKZAEPG-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)n1 ZINC000896229704 583784322 /nfs/dbraw/zinc/78/43/22/583784322.db2.gz CSRQIERPKZAEPG-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1ccncc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985380 588929151 /nfs/dbraw/zinc/92/91/51/588929151.db2.gz HKARPPVSWNKLGT-NSHDSACASA-N 1 2 242.282 1.461 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987304 588929227 /nfs/dbraw/zinc/92/92/27/588929227.db2.gz TWNXRACSLMOMHC-ZJUUUORDSA-N 1 2 221.304 1.736 20 0 BDADLO CSC[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986952 588929319 /nfs/dbraw/zinc/92/93/19/588929319.db2.gz QCSSVRGEIPKYRN-DTWKUNHWSA-N 1 2 239.344 1.443 20 0 BDADLO CCOC(=O)[C@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000896264642 583787183 /nfs/dbraw/zinc/78/71/83/583787183.db2.gz ICGZNHJYSGAFSS-NSHDSACASA-N 1 2 249.314 1.483 20 0 BDADLO CCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990054 588929675 /nfs/dbraw/zinc/92/96/75/588929675.db2.gz MGKFQPWEOFMSCV-SECBINFHSA-N 1 2 207.277 1.634 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857989569 588929745 /nfs/dbraw/zinc/92/97/45/588929745.db2.gz IYDODGAXBMEHPD-SECBINFHSA-N 1 2 205.261 1.244 20 0 BDADLO Cc1noc(C)c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857991269 588929780 /nfs/dbraw/zinc/92/97/80/588929780.db2.gz WNCLLCVTBQDQJM-VIFPVBQESA-N 1 2 246.270 1.363 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccco1 ZINC000857990062 588929827 /nfs/dbraw/zinc/92/98/27/588929827.db2.gz MLAKIZXPRDUFLO-MRVPVSSYSA-N 1 2 217.228 1.351 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccs1 ZINC000857989512 588929833 /nfs/dbraw/zinc/92/98/33/588929833.db2.gz ICQAPGTVSQJAMY-MRVPVSSYSA-N 1 2 233.296 1.819 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857989570 588929835 /nfs/dbraw/zinc/92/98/35/588929835.db2.gz IYDODGAXBMEHPD-VIFPVBQESA-N 1 2 205.261 1.244 20 0 BDADLO CCc1n[nH]cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989656 588929861 /nfs/dbraw/zinc/92/98/61/588929861.db2.gz SFMLNSXDSXRXBR-JTQLQIEISA-N 1 2 245.286 1.043 20 0 BDADLO Cc1cc(NCCOC2CCOCC2)nc[nH+]1 ZINC000896457908 583803120 /nfs/dbraw/zinc/80/31/20/583803120.db2.gz FUQOAJYHMGXDGB-UHFFFAOYSA-N 1 2 237.303 1.393 20 0 BDADLO Fc1c[nH+]ccc1NCCOC1CCOCC1 ZINC000896462451 583803609 /nfs/dbraw/zinc/80/36/09/583803609.db2.gz XYJFPQNYPQJSHK-UHFFFAOYSA-N 1 2 240.278 1.250 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccn2C2CC2)CCO1 ZINC000896574466 583813379 /nfs/dbraw/zinc/81/33/79/583813379.db2.gz RCBNLHVEDGXHGY-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccn2C2CC2)CCO1 ZINC000896574466 583813382 /nfs/dbraw/zinc/81/33/82/583813382.db2.gz RCBNLHVEDGXHGY-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ncncc1C)C2 ZINC000896654249 583821468 /nfs/dbraw/zinc/82/14/68/583821468.db2.gz LJNHTSYOMCUFSR-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO O[C@@H]1CCCC[C@@H]1CCNc1cc[nH+]cc1F ZINC000896813161 583836198 /nfs/dbraw/zinc/83/61/98/583836198.db2.gz XBCWPPUWBFIVAZ-ZWNOBZJWSA-N 1 2 238.306 1.996 20 0 BDADLO Cc1coc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000896905924 583851234 /nfs/dbraw/zinc/85/12/34/583851234.db2.gz OSVGYISVJWCOBB-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO Fc1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)ccn1 ZINC000858171605 588936756 /nfs/dbraw/zinc/93/67/56/588936756.db2.gz RUAOPQJVCRKLBV-UHFFFAOYSA-N 1 2 247.277 1.506 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccnc(C)c2)[nH+]c1C ZINC000896909539 583852626 /nfs/dbraw/zinc/85/26/26/583852626.db2.gz BGEYJNSFVZJZJJ-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CO[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)C(C)C ZINC000896913633 583853862 /nfs/dbraw/zinc/85/38/62/583853862.db2.gz IAYFPUBDWHWMIZ-NSHDSACASA-N 1 2 239.319 1.314 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cncc(O)c2)[nH+]c1C ZINC000896920737 583856499 /nfs/dbraw/zinc/85/64/99/583856499.db2.gz RGDVGANGVSRQHH-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)n1C ZINC000896927313 583859551 /nfs/dbraw/zinc/85/95/51/583859551.db2.gz HEAXUHAVQGBGTN-UHFFFAOYSA-N 1 2 246.314 1.603 20 0 BDADLO CCCCC[C@H](C)[NH2+]CC(=O)NOC ZINC000896927689 583859718 /nfs/dbraw/zinc/85/97/18/583859718.db2.gz ULXNGLBTUWRYLN-VIFPVBQESA-N 1 2 202.298 1.222 20 0 BDADLO CCc1nc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc[nH+]1 ZINC000897071340 583877065 /nfs/dbraw/zinc/87/70/65/583877065.db2.gz ALAUWBDMKKSYNM-DUYQIWHPSA-N 1 2 231.299 1.627 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000869455887 583878424 /nfs/dbraw/zinc/87/84/24/583878424.db2.gz JIGUYONEZXYXOG-VMZHVLLKSA-N 1 2 246.301 1.656 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000869455887 583878425 /nfs/dbraw/zinc/87/84/25/583878425.db2.gz JIGUYONEZXYXOG-VMZHVLLKSA-N 1 2 246.301 1.656 20 0 BDADLO CC(C)c1nc(N2CC[C@@H]2CO)cc[nH+]1 ZINC000897119751 583882630 /nfs/dbraw/zinc/88/26/30/583882630.db2.gz HZIOYRVGFSVRSC-SECBINFHSA-N 1 2 207.277 1.171 20 0 BDADLO COc1ccc[nH+]c1N(C)[C@H]1CC[C@H]1OC ZINC000897142631 583883579 /nfs/dbraw/zinc/88/35/79/583883579.db2.gz PFCHFRIHIQKQCZ-VHSXEESVSA-N 1 2 222.288 1.704 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897180028 583891040 /nfs/dbraw/zinc/89/10/40/583891040.db2.gz NQJRGMVJQDWHJZ-ATZCPNFKSA-N 1 2 243.314 1.964 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)cnc1Cl ZINC000858197282 588938444 /nfs/dbraw/zinc/93/84/44/588938444.db2.gz ATRIVJYALAOYLT-UHFFFAOYSA-N 1 2 237.694 1.451 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccco1 ZINC000728545179 583896593 /nfs/dbraw/zinc/89/65/93/583896593.db2.gz QKQNZDBNFZGJEF-SNAWJCMRSA-N 1 2 231.255 1.343 20 0 BDADLO C[N@H+](CCCCCCCO)Cc1nnc[nH]1 ZINC000751476338 583911319 /nfs/dbraw/zinc/91/13/19/583911319.db2.gz ZZKFPMGVQRTLMH-UHFFFAOYSA-N 1 2 226.324 1.179 20 0 BDADLO C[N@@H+](CCCCCCCO)Cc1nnc[nH]1 ZINC000751476338 583911320 /nfs/dbraw/zinc/91/13/20/583911320.db2.gz ZZKFPMGVQRTLMH-UHFFFAOYSA-N 1 2 226.324 1.179 20 0 BDADLO Cc1nc(N[C@H]2CCOC23CCOCC3)cc[nH+]1 ZINC000897324038 583923246 /nfs/dbraw/zinc/92/32/46/583923246.db2.gz STOGUHQMZXCVPP-NSHDSACASA-N 1 2 249.314 1.535 20 0 BDADLO CCn1cnc2c1CC[N@H+](Cc1cccn1C)C2 ZINC000897336758 583925200 /nfs/dbraw/zinc/92/52/00/583925200.db2.gz OHQKXMWOJQGCLZ-UHFFFAOYSA-N 1 2 244.342 1.800 20 0 BDADLO CCn1cnc2c1CC[N@@H+](Cc1cccn1C)C2 ZINC000897336758 583925201 /nfs/dbraw/zinc/92/52/01/583925201.db2.gz OHQKXMWOJQGCLZ-UHFFFAOYSA-N 1 2 244.342 1.800 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cccn1C)C2 ZINC000897336758 583925202 /nfs/dbraw/zinc/92/52/02/583925202.db2.gz OHQKXMWOJQGCLZ-UHFFFAOYSA-N 1 2 244.342 1.800 20 0 BDADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000799347949 583959023 /nfs/dbraw/zinc/95/90/23/583959023.db2.gz SVODKWUYZJIQQC-KCJUWKMLSA-N 1 2 249.314 1.166 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccnc(F)c2)n1 ZINC000858205837 588938688 /nfs/dbraw/zinc/93/86/88/588938688.db2.gz DXCOYANTIPEYSF-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cnn(CC)n1 ZINC000858207577 588938952 /nfs/dbraw/zinc/93/89/52/588938952.db2.gz ZOYRXOJRIGCMFF-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2COC[C@@H]2C2CC2)[nH+]c1 ZINC000897450673 583985476 /nfs/dbraw/zinc/98/54/76/583985476.db2.gz KCFAFJOSJNGKIE-ZWKOPEQDSA-N 1 2 248.326 1.972 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC[C@H]2C2CC2)[nH+]cn1 ZINC000897452420 583986107 /nfs/dbraw/zinc/98/61/07/583986107.db2.gz WYVPXWKARCTXBL-WDEREUQCSA-N 1 2 248.330 1.380 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897452420 583986109 /nfs/dbraw/zinc/98/61/09/583986109.db2.gz WYVPXWKARCTXBL-WDEREUQCSA-N 1 2 248.330 1.380 20 0 BDADLO Cc1cc(N[C@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897446070 583986603 /nfs/dbraw/zinc/98/66/03/583986603.db2.gz BTZNUZLUQKCGBX-QWRGUYRKSA-N 1 2 219.288 1.622 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889590067 583990424 /nfs/dbraw/zinc/99/04/24/583990424.db2.gz GXBOJGYRQCPNGA-RWMBFGLXSA-N 1 2 247.342 1.968 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2C[C@@H](CO)C2)[nH+]1 ZINC000864091337 584001372 /nfs/dbraw/zinc/00/13/72/584001372.db2.gz BMECWQCIXUXHGZ-BBBLOLIVSA-N 1 2 222.288 1.318 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cccc(C)n1 ZINC000842037318 584023890 /nfs/dbraw/zinc/02/38/90/584023890.db2.gz XJBPTYIVISEWLB-SECBINFHSA-N 1 2 223.276 1.423 20 0 BDADLO Cc1ccncc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000842046384 584043525 /nfs/dbraw/zinc/04/35/25/584043525.db2.gz CNLLKBFPHXJYDT-LLVKDONJSA-N 1 2 235.287 1.567 20 0 BDADLO O=C1NCCC2(C[NH+](Cc3cccc(O)c3)C2)O1 ZINC000897752641 584043837 /nfs/dbraw/zinc/04/38/37/584043837.db2.gz LXFNMXWOPPRODV-UHFFFAOYSA-N 1 2 248.282 1.077 20 0 BDADLO Cc1ccoc1C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897752484 584043850 /nfs/dbraw/zinc/04/38/50/584043850.db2.gz CYWFXWPTUXXKPE-UHFFFAOYSA-N 1 2 236.271 1.272 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2cccc(F)c2)C1 ZINC000897788717 584048226 /nfs/dbraw/zinc/04/82/26/584048226.db2.gz BZFKGZVSXYJTID-UHFFFAOYSA-N 1 2 248.301 1.632 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000897834451 584052439 /nfs/dbraw/zinc/05/24/39/584052439.db2.gz PEYLYDJFMDGEEI-AEJSXWLSSA-N 1 2 231.361 1.669 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)C(=O)OC ZINC000897833752 584052557 /nfs/dbraw/zinc/05/25/57/584052557.db2.gz XCRMSCHETIBYDW-VHSXEESVSA-N 1 2 245.319 1.069 20 0 BDADLO Cn1nncc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000858418310 588952695 /nfs/dbraw/zinc/95/26/95/588952695.db2.gz PSFITQRGPKRZMO-SECBINFHSA-N 1 2 249.343 1.439 20 0 BDADLO Cn1c[nH+]cc1CNc1cnn(C2CCC2)c1 ZINC000897875168 584056604 /nfs/dbraw/zinc/05/66/04/584056604.db2.gz BYVYHDZUCLWYKX-UHFFFAOYSA-N 1 2 231.303 1.954 20 0 BDADLO COC1(C(F)(F)F)CN(Cc2c[nH+]cn2C)C1 ZINC000897879543 584057362 /nfs/dbraw/zinc/05/73/62/584057362.db2.gz JDVBDKGAMCSQMA-UHFFFAOYSA-N 1 2 249.236 1.183 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000898018252 584075303 /nfs/dbraw/zinc/07/53/03/584075303.db2.gz ABQDWCMELAZSIG-ZSBIGDGJSA-N 1 2 247.342 1.841 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ccco1 ZINC000898028470 584076617 /nfs/dbraw/zinc/07/66/17/584076617.db2.gz QXXYCHWDRYOJKK-UHFFFAOYSA-N 1 2 221.260 1.312 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ccc(C)cn1 ZINC000898029127 584076661 /nfs/dbraw/zinc/07/66/61/584076661.db2.gz GVHLGYNQDKETFE-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO c1cc(NCc2c[nH+]c[nH]2)n([C@H]2CCCOC2)n1 ZINC000898091603 584082719 /nfs/dbraw/zinc/08/27/19/584082719.db2.gz WZDCNEAHFJIMNT-NSHDSACASA-N 1 2 247.302 1.570 20 0 BDADLO c1cc(NCc2c[nH]c[nH+]2)n([C@H]2CCCOC2)n1 ZINC000898091603 584082721 /nfs/dbraw/zinc/08/27/21/584082721.db2.gz WZDCNEAHFJIMNT-NSHDSACASA-N 1 2 247.302 1.570 20 0 BDADLO CCn1ncc(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000858444553 588955442 /nfs/dbraw/zinc/95/54/42/588955442.db2.gz MPVQEQHPZQJEOY-NSHDSACASA-N 1 2 246.318 1.119 20 0 BDADLO O[C@@H]1CCN(Cc2[nH+]ccn2C2CC2)C[C@H]1F ZINC000898183421 584093320 /nfs/dbraw/zinc/09/33/20/584093320.db2.gz JJZNIUDFDNXCQK-GHMZBOCLSA-N 1 2 239.294 1.123 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898187070 584094327 /nfs/dbraw/zinc/09/43/27/584094327.db2.gz CRPURJXSJOXCLL-NWDGAFQWSA-N 1 2 241.310 1.369 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)s1 ZINC000898191745 584095822 /nfs/dbraw/zinc/09/58/22/584095822.db2.gz FAABPQURVPNZAD-NXEZZACHSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)s1 ZINC000898191745 584095823 /nfs/dbraw/zinc/09/58/23/584095823.db2.gz FAABPQURVPNZAD-NXEZZACHSA-N 1 2 244.335 1.610 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898194805 584096151 /nfs/dbraw/zinc/09/61/51/584096151.db2.gz PALVBYWGCJDZPV-VXGBXAGGSA-N 1 2 225.263 1.297 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898194805 584096152 /nfs/dbraw/zinc/09/61/52/584096152.db2.gz PALVBYWGCJDZPV-VXGBXAGGSA-N 1 2 225.263 1.297 20 0 BDADLO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)C(=O)OC(C)(C)C ZINC000898198537 584098130 /nfs/dbraw/zinc/09/81/30/584098130.db2.gz DTFOQXBVSZENEJ-MWLCHTKSSA-N 1 2 243.347 1.467 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000898252355 584101117 /nfs/dbraw/zinc/10/11/17/584101117.db2.gz BPFLBNACOHKDLH-MVWJERBFSA-N 1 2 248.330 1.408 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]C/C=C\Cl)nn1 ZINC000898434917 584135817 /nfs/dbraw/zinc/13/58/17/584135817.db2.gz YUSNFVHTTIQOCS-PLNGDYQASA-N 1 2 228.727 1.875 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494061 584139847 /nfs/dbraw/zinc/13/98/47/584139847.db2.gz DWOTULMQKNRZIZ-NEPJUHHUSA-N 1 2 244.354 1.829 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494061 584139850 /nfs/dbraw/zinc/13/98/50/584139850.db2.gz DWOTULMQKNRZIZ-NEPJUHHUSA-N 1 2 244.354 1.829 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898489532 584139959 /nfs/dbraw/zinc/13/99/59/584139959.db2.gz DGLDBLAYXUQVGR-NSHDSACASA-N 1 2 244.354 1.973 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898489532 584139960 /nfs/dbraw/zinc/13/99/60/584139960.db2.gz DGLDBLAYXUQVGR-NSHDSACASA-N 1 2 244.354 1.973 20 0 BDADLO C[N@@H+]1CC[C@@H](C(=O)NOc2ccc(F)cc2)C1 ZINC000898573833 584142686 /nfs/dbraw/zinc/14/26/86/584142686.db2.gz TUJJPNJBROBPMA-SECBINFHSA-N 1 2 238.262 1.187 20 0 BDADLO C[N@H+]1CC[C@@H](C(=O)NOc2ccc(F)cc2)C1 ZINC000898573833 584142687 /nfs/dbraw/zinc/14/26/87/584142687.db2.gz TUJJPNJBROBPMA-SECBINFHSA-N 1 2 238.262 1.187 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000898628804 584146918 /nfs/dbraw/zinc/14/69/18/584146918.db2.gz WECOPCRMONUVJE-PHIMTYICSA-N 1 2 248.330 1.218 20 0 BDADLO CC[C@H](C)N(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000898615380 584147277 /nfs/dbraw/zinc/14/72/77/584147277.db2.gz GHFSYQNVJSDNJF-JTQLQIEISA-N 1 2 238.335 1.750 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC(C)(C)C2CC2)c1 ZINC000898626249 584147917 /nfs/dbraw/zinc/14/79/17/584147917.db2.gz DNLMZQRVCDXVPS-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO O=C(Nc1cc(F)ccn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000898672698 584148288 /nfs/dbraw/zinc/14/82/88/584148288.db2.gz GXPXZMFGGAJGIP-RKDXNWHRSA-N 1 2 246.245 1.686 20 0 BDADLO O=C(Nc1cc(F)ccn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000898672698 584148289 /nfs/dbraw/zinc/14/82/89/584148289.db2.gz GXPXZMFGGAJGIP-RKDXNWHRSA-N 1 2 246.245 1.686 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898809975 584159942 /nfs/dbraw/zinc/15/99/42/584159942.db2.gz GERGHSNGLDPDIE-YBXAARCKSA-N 1 2 245.326 1.736 20 0 BDADLO CC(C)(CNC(=O)c1cccnc1)n1cc[nH+]c1 ZINC000898893642 584165014 /nfs/dbraw/zinc/16/50/14/584165014.db2.gz OOGHVMLUBHHEAG-UHFFFAOYSA-N 1 2 244.298 1.443 20 0 BDADLO CSCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899334 584165325 /nfs/dbraw/zinc/16/53/25/584165325.db2.gz IKQKNOVKNGYQFX-UHFFFAOYSA-N 1 2 227.333 1.097 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@H](C(F)F)C1 ZINC000858531403 588963445 /nfs/dbraw/zinc/96/34/45/588963445.db2.gz FLRXLJSXQUYGMG-VIFPVBQESA-N 1 2 244.241 1.561 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC(C)(C)F)c[nH+]1 ZINC000899154254 584178323 /nfs/dbraw/zinc/17/83/23/584178323.db2.gz QJPCZXROMAIRNN-UHFFFAOYSA-N 1 2 241.310 1.791 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899199378 584180263 /nfs/dbraw/zinc/18/02/63/584180263.db2.gz DGMMMQHUPSRCRK-DJLDLDEBSA-N 1 2 205.261 1.134 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899199378 584180264 /nfs/dbraw/zinc/18/02/64/584180264.db2.gz DGMMMQHUPSRCRK-DJLDLDEBSA-N 1 2 205.261 1.134 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000899415234 584214484 /nfs/dbraw/zinc/21/44/84/584214484.db2.gz SZIWUCFPQNABIY-MROQNXINSA-N 1 2 247.342 1.682 20 0 BDADLO CC(C)(C)c1cn(C[C@@H](O)C2(O)CCC2)c[nH+]1 ZINC000899894356 584248228 /nfs/dbraw/zinc/24/82/28/584248228.db2.gz XXYJIXGFLKPEIZ-LLVKDONJSA-N 1 2 238.331 1.457 20 0 BDADLO CC[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000899904259 584250817 /nfs/dbraw/zinc/25/08/17/584250817.db2.gz IAIVARNFMQKKTA-VIFPVBQESA-N 1 2 207.277 1.408 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]1C ZINC000899934375 584257657 /nfs/dbraw/zinc/25/76/57/584257657.db2.gz DPAKKKHASQWXIG-FOGDFJRCSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000899934375 584257658 /nfs/dbraw/zinc/25/76/58/584257658.db2.gz DPAKKKHASQWXIG-FOGDFJRCSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000899952021 584259583 /nfs/dbraw/zinc/25/95/83/584259583.db2.gz PDUDGOULLVXZSR-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CNc1cccc[nH+]1 ZINC000900073638 584268854 /nfs/dbraw/zinc/26/88/54/584268854.db2.gz OFWZDRXXPCHJNW-JTQLQIEISA-N 1 2 233.315 1.750 20 0 BDADLO CCCN(CC(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900144749 584277662 /nfs/dbraw/zinc/27/76/62/584277662.db2.gz MYPKIKLYEOKYRK-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CN(C)c1ccc(CNC(=O)CCF)c[nH+]1 ZINC000900164419 584281608 /nfs/dbraw/zinc/28/16/08/584281608.db2.gz WWCIJLJWASSMOA-UHFFFAOYSA-N 1 2 225.267 1.123 20 0 BDADLO CC(C)N(CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900182150 584282918 /nfs/dbraw/zinc/28/29/18/584282918.db2.gz VKLAGMCXRFIYHH-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900180842 584283244 /nfs/dbraw/zinc/28/32/44/584283244.db2.gz BYEHTGIIFAFQLK-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CC(C)(C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900180842 584283245 /nfs/dbraw/zinc/28/32/45/584283245.db2.gz BYEHTGIIFAFQLK-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)CCF ZINC000900196521 584285241 /nfs/dbraw/zinc/28/52/41/584285241.db2.gz FYSRSBCQWHZABR-UHFFFAOYSA-N 1 2 225.267 1.123 20 0 BDADLO CN(CC1CC1)C(=O)CNc1cccc[nH+]1 ZINC000900268658 584290717 /nfs/dbraw/zinc/29/07/17/584290717.db2.gz DEKZKAMHYNLPLL-UHFFFAOYSA-N 1 2 219.288 1.362 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900363513 584296448 /nfs/dbraw/zinc/29/64/48/584296448.db2.gz BMWGEPKEXIBTDQ-BDAKNGLRSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900363513 584296449 /nfs/dbraw/zinc/29/64/49/584296449.db2.gz BMWGEPKEXIBTDQ-BDAKNGLRSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@@H](O)[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000900455352 584313083 /nfs/dbraw/zinc/31/30/83/584313083.db2.gz RMLKMEAAWPBWGO-PSASIEDQSA-N 1 2 238.287 1.436 20 0 BDADLO CC(C)CN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000900469049 584314376 /nfs/dbraw/zinc/31/43/76/584314376.db2.gz ATLQLHRUGRKHNJ-UHFFFAOYSA-N 1 2 223.320 1.845 20 0 BDADLO CC(C)C(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900548106 584321437 /nfs/dbraw/zinc/32/14/37/584321437.db2.gz JUDGBCHEOAFUGK-UHFFFAOYSA-N 1 2 209.293 1.503 20 0 BDADLO CC(C)C(C)(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900548106 584321438 /nfs/dbraw/zinc/32/14/38/584321438.db2.gz JUDGBCHEOAFUGK-UHFFFAOYSA-N 1 2 209.293 1.503 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C1CC1 ZINC000900562404 584325113 /nfs/dbraw/zinc/32/51/13/584325113.db2.gz UGNAAMPRVPAATE-LLVKDONJSA-N 1 2 219.288 1.353 20 0 BDADLO CC[C@H](O)[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000900617015 584332477 /nfs/dbraw/zinc/33/24/77/584332477.db2.gz NNWVBWZKZJSGDI-ONGXEEELSA-N 1 2 222.288 1.157 20 0 BDADLO CC1CC(Cn2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000900651375 584336286 /nfs/dbraw/zinc/33/62/86/584336286.db2.gz ZZTXAUBXXAYQFL-UHFFFAOYSA-N 1 2 231.303 1.569 20 0 BDADLO O=C(CC1COC1)NCCCNc1cccc[nH+]1 ZINC000900757328 584345715 /nfs/dbraw/zinc/34/57/15/584345715.db2.gz YBPHNOKLYZSYPP-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO Cc1cccc(N(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900737777 584347536 /nfs/dbraw/zinc/34/75/36/584347536.db2.gz ZHTBEAIRRDQSSQ-UHFFFAOYSA-N 1 2 230.271 1.319 20 0 BDADLO Cc1cccc(N(C)C(=O)Cc2c[nH]c[nH+]2)n1 ZINC000900737777 584347537 /nfs/dbraw/zinc/34/75/37/584347537.db2.gz ZHTBEAIRRDQSSQ-UHFFFAOYSA-N 1 2 230.271 1.319 20 0 BDADLO CCN(C(=O)CNc1cccc[nH+]1)C1CCC1 ZINC000900776074 584349917 /nfs/dbraw/zinc/34/99/17/584349917.db2.gz ZWQMJEJRLREPBS-UHFFFAOYSA-N 1 2 233.315 1.895 20 0 BDADLO Cc1cccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900805544 584353496 /nfs/dbraw/zinc/35/34/96/584353496.db2.gz QGQHRBNZNWEJIO-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)Cc1c[nH+]c[nH]1 ZINC000901116913 584386478 /nfs/dbraw/zinc/38/64/78/584386478.db2.gz JJHSNXAOTPMNAS-MRVPVSSYSA-N 1 2 211.265 1.141 20 0 BDADLO Cc1ccc(NC(=O)CC2COC2)c(N(C)C)[nH+]1 ZINC000901175162 584395782 /nfs/dbraw/zinc/39/57/82/584395782.db2.gz FMAGPDHRGCGXSC-UHFFFAOYSA-N 1 2 249.314 1.431 20 0 BDADLO COC[C@@H](NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000901179436 584396098 /nfs/dbraw/zinc/39/60/98/584396098.db2.gz UHBPMEJLKZXVJC-LLVKDONJSA-N 1 2 249.314 1.035 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC12CCC(CC1)C2 ZINC000901217200 584401978 /nfs/dbraw/zinc/40/19/78/584401978.db2.gz OLIQLLIEPIOVPL-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC12CCC(CC1)C2 ZINC000901217200 584401980 /nfs/dbraw/zinc/40/19/80/584401980.db2.gz OLIQLLIEPIOVPL-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)CNc1cccc[nH+]1 ZINC000901240089 584406758 /nfs/dbraw/zinc/40/67/58/584406758.db2.gz AAFWHGAYOGXRCA-UHFFFAOYSA-N 1 2 249.314 1.225 20 0 BDADLO CCCc1cc(NC(=O)Cc2c[nH+]c[nH]2)n(C)n1 ZINC000901315104 584428711 /nfs/dbraw/zinc/42/87/11/584428711.db2.gz NTDWTNVVTNQRQY-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CCCc1cc(NC(=O)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000901315104 584428712 /nfs/dbraw/zinc/42/87/12/584428712.db2.gz NTDWTNVVTNQRQY-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CC[C@H](CSC)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000901318115 584429110 /nfs/dbraw/zinc/42/91/10/584429110.db2.gz PXAUMFVHNQZVGD-SNVBAGLBSA-N 1 2 241.360 1.552 20 0 BDADLO CCO[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000901448254 584447318 /nfs/dbraw/zinc/44/73/18/584447318.db2.gz UQGQJMFSWUZENC-ZETCQYMHSA-N 1 2 238.316 1.838 20 0 BDADLO O=Cc1nc(C=Cc2cn(C3CC3)c[nH+]2)c[nH]1 ZINC000901554742 584462607 /nfs/dbraw/zinc/46/26/07/584462607.db2.gz CWNKKRXJHQLRRK-OWOJBTEDSA-N 1 2 228.255 1.924 20 0 BDADLO CNc1ccc(C)cc1C[NH2+]Cc1nncn1C ZINC000902063905 584522493 /nfs/dbraw/zinc/52/24/93/584522493.db2.gz MCWIDXBGUZDAJH-UHFFFAOYSA-N 1 2 245.330 1.455 20 0 BDADLO CCn1cnnc1NCc1[nH+]ccn1C1CC1 ZINC000902139958 584527108 /nfs/dbraw/zinc/52/71/08/584527108.db2.gz SWYWAPDWFSBKIU-UHFFFAOYSA-N 1 2 232.291 1.442 20 0 BDADLO CCCn1cc(CNc2cc[nH+]c(C)n2)nn1 ZINC000902127379 584529017 /nfs/dbraw/zinc/52/90/17/584529017.db2.gz QPLYFTYAIYQWQK-UHFFFAOYSA-N 1 2 232.291 1.399 20 0 BDADLO COc1ccc(CNc2[nH+]cccc2CO)o1 ZINC000902147408 584530897 /nfs/dbraw/zinc/53/08/97/584530897.db2.gz LDWCETOGFOBOPI-UHFFFAOYSA-N 1 2 234.255 1.788 20 0 BDADLO COc1nccc(CNc2cc(C)[nH+]cn2)c1F ZINC000902193473 584535770 /nfs/dbraw/zinc/53/57/70/584535770.db2.gz BZLWGZZSUGKFGY-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO CNc1ccccc1C[NH2+][C@H](C)c1nncn1C ZINC000902194896 584536608 /nfs/dbraw/zinc/53/66/08/584536608.db2.gz KSFRSXDHHNHPEN-SNVBAGLBSA-N 1 2 245.330 1.708 20 0 BDADLO CCn1c[nH+]c(CNC(C)(C)c2noc(C)n2)c1 ZINC000902209419 584538996 /nfs/dbraw/zinc/53/89/96/584538996.db2.gz AEOKGTLBTNIEFN-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO CC(C)c1nnnn1Cc1ccc(N(C)C)[nH+]c1 ZINC000902219522 584539367 /nfs/dbraw/zinc/53/93/67/584539367.db2.gz VZIHOMUAUZITKR-UHFFFAOYSA-N 1 2 246.318 1.306 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1C[C@]12CCOC2 ZINC000902220467 584540480 /nfs/dbraw/zinc/54/04/80/584540480.db2.gz DUMHZDHCZBFPMG-PWSUYJOCSA-N 1 2 242.319 1.336 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCOC2=O)[C@H](CC)CO1 ZINC000902301450 584553755 /nfs/dbraw/zinc/55/37/55/584553755.db2.gz DFWRIEZFRZCEAZ-GHMZBOCLSA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCOC2=O)[C@H](CC)CO1 ZINC000902301450 584553757 /nfs/dbraw/zinc/55/37/57/584553757.db2.gz DFWRIEZFRZCEAZ-GHMZBOCLSA-N 1 2 242.319 1.286 20 0 BDADLO Cc1ncn(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000902433929 584596150 /nfs/dbraw/zinc/59/61/50/584596150.db2.gz CYXMAKWALBNHIC-UHFFFAOYSA-N 1 2 217.276 1.096 20 0 BDADLO Nc1ccc(CONC(=O)C2CCC2)c[nH+]1 ZINC000902441891 584597542 /nfs/dbraw/zinc/59/75/42/584597542.db2.gz CMTUOQSQUGGHAL-UHFFFAOYSA-N 1 2 221.260 1.012 20 0 BDADLO CCNc1ccccc1C[NH2+]Cc1cn(C)nn1 ZINC000902478551 584603488 /nfs/dbraw/zinc/60/34/88/584603488.db2.gz TZLKKHIJZLRMDK-UHFFFAOYSA-N 1 2 245.330 1.537 20 0 BDADLO CCc1nc(OC)ccc1NCc1cn(C)c[nH+]1 ZINC000902681692 584655393 /nfs/dbraw/zinc/65/53/93/584655393.db2.gz YYTXHHAQSMTLCM-UHFFFAOYSA-N 1 2 246.314 1.998 20 0 BDADLO NC(CO)=[NH+]OCC1CCC2(CC2)CC1 ZINC000902764059 584663929 /nfs/dbraw/zinc/66/39/29/584663929.db2.gz SSWLZSDTEHSLEH-UHFFFAOYSA-N 1 2 212.293 1.448 20 0 BDADLO CCOCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781415 584670461 /nfs/dbraw/zinc/67/04/61/584670461.db2.gz SHZSGIWHQGEUJB-UHFFFAOYSA-N 1 2 220.272 1.989 20 0 BDADLO C[C@H]1C[C@H](NC(=O)N2CCCC2)c2[nH+]ccn21 ZINC000902943585 584695945 /nfs/dbraw/zinc/69/59/45/584695945.db2.gz SRLKGPUDJRLNNU-UWVGGRQHSA-N 1 2 234.303 1.694 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902991774 584710105 /nfs/dbraw/zinc/71/01/05/584710105.db2.gz AZCCKKYREQITED-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902991774 584710106 /nfs/dbraw/zinc/71/01/06/584710106.db2.gz AZCCKKYREQITED-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902991775 584710332 /nfs/dbraw/zinc/71/03/32/584710332.db2.gz AZCCKKYREQITED-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902991775 584710334 /nfs/dbraw/zinc/71/03/34/584710334.db2.gz AZCCKKYREQITED-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO O=C1[C@@H]([N@@H+]2CCC[C@@H](F)C2)CCN1C1CCC1 ZINC000902993099 584710843 /nfs/dbraw/zinc/71/08/43/584710843.db2.gz QMNHOQMZNQGLNA-PWSUYJOCSA-N 1 2 240.322 1.574 20 0 BDADLO O=C1[C@@H]([N@H+]2CCC[C@@H](F)C2)CCN1C1CCC1 ZINC000902993099 584710844 /nfs/dbraw/zinc/71/08/44/584710844.db2.gz QMNHOQMZNQGLNA-PWSUYJOCSA-N 1 2 240.322 1.574 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902992366 584711077 /nfs/dbraw/zinc/71/10/77/584711077.db2.gz KGYGCEXSRHMNPI-QWRGUYRKSA-N 1 2 242.338 1.820 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902992366 584711076 /nfs/dbraw/zinc/71/10/76/584711076.db2.gz KGYGCEXSRHMNPI-QWRGUYRKSA-N 1 2 242.338 1.820 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902998048 584714810 /nfs/dbraw/zinc/71/48/10/584714810.db2.gz FJTNUWWEFCQORP-QWRGUYRKSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902998048 584714811 /nfs/dbraw/zinc/71/48/11/584714811.db2.gz FJTNUWWEFCQORP-QWRGUYRKSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000902999248 584714924 /nfs/dbraw/zinc/71/49/24/584714924.db2.gz WIFFTSZCOGMDIZ-MNOVXSKESA-N 1 2 230.327 1.676 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000902999248 584714925 /nfs/dbraw/zinc/71/49/25/584714925.db2.gz WIFFTSZCOGMDIZ-MNOVXSKESA-N 1 2 230.327 1.676 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](F)C1 ZINC000903003133 584716162 /nfs/dbraw/zinc/71/61/62/584716162.db2.gz JWXMCHKSSPJWOZ-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@H](F)C1 ZINC000903003133 584716163 /nfs/dbraw/zinc/71/61/63/584716163.db2.gz JWXMCHKSSPJWOZ-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000903004013 584716663 /nfs/dbraw/zinc/71/66/63/584716663.db2.gz XJBHRTMFZSNJFD-NWDGAFQWSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](F)C2)C1 ZINC000903004013 584716665 /nfs/dbraw/zinc/71/66/65/584716665.db2.gz XJBHRTMFZSNJFD-NWDGAFQWSA-N 1 2 242.338 1.679 20 0 BDADLO CCCn1cc([C@@H](C)NCc2cn(C)c[nH+]2)nn1 ZINC000903350998 584755356 /nfs/dbraw/zinc/75/53/56/584755356.db2.gz HDZVNONBFMKIAU-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)c2ncnn21 ZINC000903443928 584768606 /nfs/dbraw/zinc/76/86/06/584768606.db2.gz LWMNOJRDQGCBQM-YEMZYZDBSA-N 1 2 212.684 1.626 20 0 BDADLO CCCCN(O)C(=O)NCCCn1cc[nH+]c1 ZINC000904157931 584843587 /nfs/dbraw/zinc/84/35/87/584843587.db2.gz LVIYVUKZDJIWBF-UHFFFAOYSA-N 1 2 240.307 1.474 20 0 BDADLO CCCCN(O)C(=O)NCc1[nH+]ccn1CC ZINC000904189000 584848343 /nfs/dbraw/zinc/84/83/43/584848343.db2.gz WEBRRUAAZPPRES-UHFFFAOYSA-N 1 2 240.307 1.604 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2CCOC2)n1 ZINC000904257693 584859370 /nfs/dbraw/zinc/85/93/70/584859370.db2.gz BUIJNNOBICEPSC-MRVPVSSYSA-N 1 2 246.270 1.526 20 0 BDADLO Cc1cc(F)c(C[NH2+][C@H]2CNOC2)c(Cl)c1 ZINC000904423782 584880096 /nfs/dbraw/zinc/88/00/96/584880096.db2.gz GXXRNZSWNWFUAL-QMMMGPOBSA-N 1 2 244.697 1.781 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C=C1CCCC1 ZINC000732093811 584933809 /nfs/dbraw/zinc/93/38/09/584933809.db2.gz LOIHJNLDRPUHFQ-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)Cc2ccco2)c[nH+]1 ZINC000732268426 584934938 /nfs/dbraw/zinc/93/49/38/584934938.db2.gz GMSSRHYMPBVQGS-QMMMGPOBSA-N 1 2 233.271 1.672 20 0 BDADLO Cc1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000733740041 584953063 /nfs/dbraw/zinc/95/30/63/584953063.db2.gz JTJSTRPJCNSUQZ-UHFFFAOYSA-N 1 2 200.201 1.693 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cnn[nH]1 ZINC000734538223 584963810 /nfs/dbraw/zinc/96/38/10/584963810.db2.gz MODKSNUDUIBWAX-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnn[nH]1 ZINC000734538223 584963811 /nfs/dbraw/zinc/96/38/11/584963811.db2.gz MODKSNUDUIBWAX-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH]nn1 ZINC000734538223 584963812 /nfs/dbraw/zinc/96/38/12/584963812.db2.gz MODKSNUDUIBWAX-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]nn1 ZINC000734538223 584963813 /nfs/dbraw/zinc/96/38/13/584963813.db2.gz MODKSNUDUIBWAX-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC1CCOCC1 ZINC000735488107 584977808 /nfs/dbraw/zinc/97/78/08/584977808.db2.gz CPLUWFODTMRAIG-UHFFFAOYSA-N 1 2 230.308 1.336 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817720430 584988471 /nfs/dbraw/zinc/98/84/71/584988471.db2.gz ROMRGQJBVKSXPI-AXFHLTTASA-N 1 2 234.299 1.900 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000890103659 585023399 /nfs/dbraw/zinc/02/33/99/585023399.db2.gz AYQYYVJFEKVSIL-CHWSQXEVSA-N 1 2 247.342 1.863 20 0 BDADLO CCc1ccccc1-c1noc([C@@H]([NH3+])COC)n1 ZINC000822697264 585027256 /nfs/dbraw/zinc/02/72/56/585027256.db2.gz ZEGJQHICIDKCCE-NSHDSACASA-N 1 2 247.298 1.945 20 0 BDADLO Cc1nc(N2[C@H](C)CC[C@H]2C)nc(N)[nH+]1 ZINC000631162537 585028444 /nfs/dbraw/zinc/02/84/44/585028444.db2.gz BNXMHZPHKUVKII-RNFRBKRXSA-N 1 2 207.281 1.139 20 0 BDADLO Cc1nc(N)nc(N2[C@H](C)CC[C@H]2C)[nH+]1 ZINC000631162537 585028445 /nfs/dbraw/zinc/02/84/45/585028445.db2.gz BNXMHZPHKUVKII-RNFRBKRXSA-N 1 2 207.281 1.139 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc(Cl)nn1 ZINC000841505057 585029900 /nfs/dbraw/zinc/02/99/00/585029900.db2.gz PKLWXCMSWLSNNB-UHFFFAOYSA-N 1 2 237.694 1.959 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838637422 585064092 /nfs/dbraw/zinc/06/40/92/585064092.db2.gz YMZCTZPCKQJMAA-HBNTYKKESA-N 1 2 248.330 1.672 20 0 BDADLO CC1(C)CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000838639176 585064174 /nfs/dbraw/zinc/06/41/74/585064174.db2.gz NTABWPZOOJSGMS-SNVBAGLBSA-N 1 2 248.330 1.769 20 0 BDADLO CCn1ncc(C[N@H+](CC)C[C@@H]2CCCO2)n1 ZINC000838802058 585069076 /nfs/dbraw/zinc/06/90/76/585069076.db2.gz KFZOJWYDQINZEY-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+](CC)C[C@@H]2CCCO2)n1 ZINC000838802058 585069077 /nfs/dbraw/zinc/06/90/77/585069077.db2.gz KFZOJWYDQINZEY-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000838848675 585074801 /nfs/dbraw/zinc/07/48/01/585074801.db2.gz ALJSKFOVXDWZPM-PWSUYJOCSA-N 1 2 229.320 1.079 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CC)n2)CCCO1 ZINC000839072685 585089591 /nfs/dbraw/zinc/08/95/91/585089591.db2.gz FFCDGFKDEDGYGV-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CC)n2)CCCO1 ZINC000839072685 585089592 /nfs/dbraw/zinc/08/95/92/585089592.db2.gz FFCDGFKDEDGYGV-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+](C(C)C)[C@@H]2CCOC2)n1 ZINC000839110035 585091500 /nfs/dbraw/zinc/09/15/00/585091500.db2.gz SFNCBHJCPMJDID-GFCCVEGCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@@H+](C(C)C)[C@@H]2CCOC2)n1 ZINC000839110035 585091501 /nfs/dbraw/zinc/09/15/01/585091501.db2.gz SFNCBHJCPMJDID-GFCCVEGCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H]2C2CC2)n1 ZINC000839126623 585093448 /nfs/dbraw/zinc/09/34/48/585093448.db2.gz VYTYUIXRGWQMOC-LLVKDONJSA-N 1 2 206.293 1.282 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H]2C2CC2)n1 ZINC000839126623 585093449 /nfs/dbraw/zinc/09/34/49/585093449.db2.gz VYTYUIXRGWQMOC-LLVKDONJSA-N 1 2 206.293 1.282 20 0 BDADLO CC[N@H+](C)[C@@H](C(=O)OCC(C)=O)c1ccccc1 ZINC000741150408 585110502 /nfs/dbraw/zinc/11/05/02/585110502.db2.gz FMGRVANOTBEPJK-CYBMUJFWSA-N 1 2 249.310 1.812 20 0 BDADLO CC[N@@H+](C)[C@@H](C(=O)OCC(C)=O)c1ccccc1 ZINC000741150408 585110503 /nfs/dbraw/zinc/11/05/03/585110503.db2.gz FMGRVANOTBEPJK-CYBMUJFWSA-N 1 2 249.310 1.812 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741739826 585117620 /nfs/dbraw/zinc/11/76/20/585117620.db2.gz GYVVTEZBHJNJGI-BDAKNGLRSA-N 1 2 215.256 1.929 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCCNC(=O)C2)s1 ZINC000741780410 585118400 /nfs/dbraw/zinc/11/84/00/585118400.db2.gz ULYSBICGGVOXNE-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCCNC(=O)C2)s1 ZINC000741780410 585118401 /nfs/dbraw/zinc/11/84/01/585118401.db2.gz ULYSBICGGVOXNE-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742194598 585122608 /nfs/dbraw/zinc/12/26/08/585122608.db2.gz ICUBKBNIIRPHSY-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742194598 585122609 /nfs/dbraw/zinc/12/26/09/585122609.db2.gz ICUBKBNIIRPHSY-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO CC1(CO[NH+]=C(N)Cc2ccccc2)COC1 ZINC000742354648 585124803 /nfs/dbraw/zinc/12/48/03/585124803.db2.gz UBVJRSDBFUQLIA-UHFFFAOYSA-N 1 2 234.299 1.764 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347051 585133818 /nfs/dbraw/zinc/13/38/18/585133818.db2.gz XLAZYPUNRFPHSM-PHIMTYICSA-N 1 2 220.320 1.386 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347051 585133819 /nfs/dbraw/zinc/13/38/19/585133819.db2.gz XLAZYPUNRFPHSM-PHIMTYICSA-N 1 2 220.320 1.386 20 0 BDADLO Cn1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000886348051 585133961 /nfs/dbraw/zinc/13/39/61/585133961.db2.gz FNZZRUKAHOLGQB-OCAPTIKFSA-N 1 2 211.696 1.525 20 0 BDADLO Cn1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000886348051 585133962 /nfs/dbraw/zinc/13/39/62/585133962.db2.gz FNZZRUKAHOLGQB-OCAPTIKFSA-N 1 2 211.696 1.525 20 0 BDADLO CC[C@H]1C[N@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743353100 585135697 /nfs/dbraw/zinc/13/56/97/585135697.db2.gz VLDGOPAPDCXTFX-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO CC[C@H]1C[N@@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743353100 585135698 /nfs/dbraw/zinc/13/56/98/585135698.db2.gz VLDGOPAPDCXTFX-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@H]2CCCO[C@@H]21 ZINC000743479265 585137592 /nfs/dbraw/zinc/13/75/92/585137592.db2.gz GNDCNCYTGMUUAY-DBIOUOCHSA-N 1 2 239.315 1.095 20 0 BDADLO Cc1nonc1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000744414139 585149915 /nfs/dbraw/zinc/14/99/15/585149915.db2.gz WIZYLQMEJOSJBH-OCAPTIKFSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nonc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000744414139 585149916 /nfs/dbraw/zinc/14/99/16/585149916.db2.gz WIZYLQMEJOSJBH-OCAPTIKFSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1cnc(COC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000745080533 585156016 /nfs/dbraw/zinc/15/60/16/585156016.db2.gz SUSXDNUKAPABKI-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000745080533 585156017 /nfs/dbraw/zinc/15/60/17/585156017.db2.gz SUSXDNUKAPABKI-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cccc(COC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000745083564 585156470 /nfs/dbraw/zinc/15/64/70/585156470.db2.gz XMVAGOXBYPEIDD-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cccc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000745083564 585156471 /nfs/dbraw/zinc/15/64/71/585156471.db2.gz XMVAGOXBYPEIDD-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000745989212 585162500 /nfs/dbraw/zinc/16/25/00/585162500.db2.gz SGFQAFSNEJNJGO-BDAKNGLRSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000745989212 585162501 /nfs/dbraw/zinc/16/25/01/585162501.db2.gz SGFQAFSNEJNJGO-BDAKNGLRSA-N 1 2 239.237 1.617 20 0 BDADLO CC(C)c1ocnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000746242296 585166272 /nfs/dbraw/zinc/16/62/72/585166272.db2.gz HIZWPVPSXREMOQ-UHFFFAOYSA-N 1 2 248.286 1.494 20 0 BDADLO C/C=C\C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746324138 585167385 /nfs/dbraw/zinc/16/73/85/585167385.db2.gz ZEEIJLVTOQIIOW-ARJAWSKDSA-N 1 2 246.301 1.750 20 0 BDADLO C/C=C\C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746324138 585167386 /nfs/dbraw/zinc/16/73/86/585167386.db2.gz ZEEIJLVTOQIIOW-ARJAWSKDSA-N 1 2 246.301 1.750 20 0 BDADLO CC(C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000746506349 585169580 /nfs/dbraw/zinc/16/95/80/585169580.db2.gz UCZNDCWJVGYZPJ-UHFFFAOYSA-N 1 2 216.300 1.146 20 0 BDADLO CC(C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000746506349 585169581 /nfs/dbraw/zinc/16/95/81/585169581.db2.gz UCZNDCWJVGYZPJ-UHFFFAOYSA-N 1 2 216.300 1.146 20 0 BDADLO C[N@H+](C[C@@H]1CCCCO1)Cn1ccsc1=O ZINC000746613089 585170943 /nfs/dbraw/zinc/17/09/43/585170943.db2.gz WKPMEINRSXSOLZ-JTQLQIEISA-N 1 2 242.344 1.368 20 0 BDADLO C[N@@H+](C[C@@H]1CCCCO1)Cn1ccsc1=O ZINC000746613089 585170944 /nfs/dbraw/zinc/17/09/44/585170944.db2.gz WKPMEINRSXSOLZ-JTQLQIEISA-N 1 2 242.344 1.368 20 0 BDADLO CC[N@H+](Cn1ccsc1=O)C1CCC1 ZINC000746618987 585171130 /nfs/dbraw/zinc/17/11/30/585171130.db2.gz JECXYBZXXOXVKM-UHFFFAOYSA-N 1 2 212.318 1.742 20 0 BDADLO CC[N@@H+](Cn1ccsc1=O)C1CCC1 ZINC000746618987 585171131 /nfs/dbraw/zinc/17/11/31/585171131.db2.gz JECXYBZXXOXVKM-UHFFFAOYSA-N 1 2 212.318 1.742 20 0 BDADLO Cc1nnc([C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000789612821 585177459 /nfs/dbraw/zinc/17/74/59/585177459.db2.gz VNWSRLXMNCGBHS-HTRCEHHLSA-N 1 2 240.263 1.116 20 0 BDADLO C[C@H](OCC1CC1)C(=O)OCc1c[nH+]cn1C ZINC000747784970 585184177 /nfs/dbraw/zinc/18/41/77/585184177.db2.gz XDHZOJMCJKLYTL-VIFPVBQESA-N 1 2 238.287 1.278 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)OCc1c[nH+]cn1C ZINC000747784968 585184270 /nfs/dbraw/zinc/18/42/70/585184270.db2.gz XDHZOJMCJKLYTL-SECBINFHSA-N 1 2 238.287 1.278 20 0 BDADLO CCOCCCC(=O)OCc1c[nH+]cn1C ZINC000747784502 585184375 /nfs/dbraw/zinc/18/43/75/585184375.db2.gz XKIDVGPOZNEHKN-UHFFFAOYSA-N 1 2 226.276 1.280 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCCOC[C@H]1C ZINC000749510743 585203083 /nfs/dbraw/zinc/20/30/83/585203083.db2.gz KULRJIUCDVFBBE-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCCOC[C@H]1C ZINC000749510743 585203084 /nfs/dbraw/zinc/20/30/84/585203084.db2.gz KULRJIUCDVFBBE-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750070659 585209818 /nfs/dbraw/zinc/20/98/18/585209818.db2.gz YYGDPJULLFMZCS-SNVBAGLBSA-N 1 2 237.303 1.730 20 0 BDADLO CCC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750070659 585209819 /nfs/dbraw/zinc/20/98/19/585209819.db2.gz YYGDPJULLFMZCS-SNVBAGLBSA-N 1 2 237.303 1.730 20 0 BDADLO Cc1cc(C(F)(F)F)c(-n2cc[nH+]c2)nn1 ZINC000750453178 585214733 /nfs/dbraw/zinc/21/47/33/585214733.db2.gz IAOYNOMTVXCISJ-UHFFFAOYSA-N 1 2 228.177 1.990 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccno1 ZINC000750528252 585216738 /nfs/dbraw/zinc/21/67/38/585216738.db2.gz MTPATYNBBRLDAC-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccno1 ZINC000750528252 585216739 /nfs/dbraw/zinc/21/67/39/585216739.db2.gz MTPATYNBBRLDAC-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO CCC[N@H+](CC)Cn1nnc2ccccc2c1=O ZINC000750602013 585217780 /nfs/dbraw/zinc/21/77/80/585217780.db2.gz HLLHYTDCXIADTM-UHFFFAOYSA-N 1 2 246.314 1.481 20 0 BDADLO CCC[N@@H+](CC)Cn1nnc2ccccc2c1=O ZINC000750602013 585217781 /nfs/dbraw/zinc/21/77/81/585217781.db2.gz HLLHYTDCXIADTM-UHFFFAOYSA-N 1 2 246.314 1.481 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000750721127 585218998 /nfs/dbraw/zinc/21/89/98/585218998.db2.gz LOFFOIMTEGVQEY-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO O[C@@H](C[N@H+]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000750721127 585218999 /nfs/dbraw/zinc/21/89/99/585218999.db2.gz LOFFOIMTEGVQEY-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO Cc1nonc1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000751230362 585226156 /nfs/dbraw/zinc/22/61/56/585226156.db2.gz LWUHGLDTLOXECC-UHFFFAOYSA-N 1 2 244.258 1.570 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000751351881 585226924 /nfs/dbraw/zinc/22/69/24/585226924.db2.gz LORKAFBOPLHZMZ-JTQLQIEISA-N 1 2 221.304 1.744 20 0 BDADLO Nc1ccc(CCC(=O)OCC2CCC2)c[nH+]1 ZINC000751461000 585230954 /nfs/dbraw/zinc/23/09/54/585230954.db2.gz OVPDRUFZYVIFBX-UHFFFAOYSA-N 1 2 234.299 1.940 20 0 BDADLO CS/C=C/C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000751581300 585233647 /nfs/dbraw/zinc/23/36/47/585233647.db2.gz ZNQJTBGFIRRWNZ-ZZXKWVIFSA-N 1 2 211.290 1.245 20 0 BDADLO CCC1(C(=O)OCC[NH+]2CCOCC2)CCC1 ZINC000751751152 585236220 /nfs/dbraw/zinc/23/62/20/585236220.db2.gz LUUIBRCQQBILOP-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CCn1cnn(C[N@@H+]2CCC[C@@H]2C)c1=S ZINC000751931486 585239727 /nfs/dbraw/zinc/23/97/27/585239727.db2.gz BABGUACJUSBJGS-VIFPVBQESA-N 1 2 226.349 1.876 20 0 BDADLO CCn1cnn(C[N@H+]2CCC[C@@H]2C)c1=S ZINC000751931486 585239728 /nfs/dbraw/zinc/23/97/28/585239728.db2.gz BABGUACJUSBJGS-VIFPVBQESA-N 1 2 226.349 1.876 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000859219548 589020643 /nfs/dbraw/zinc/02/06/43/589020643.db2.gz AZPVWBQXEDVZNX-MNOVXSKESA-N 1 2 244.335 1.232 20 0 BDADLO CCCOC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000859219548 589020644 /nfs/dbraw/zinc/02/06/44/589020644.db2.gz AZPVWBQXEDVZNX-MNOVXSKESA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@H](C)[C@@H]1C[N@H+](CCF)CCN1CCF ZINC000753182623 585254991 /nfs/dbraw/zinc/25/49/91/585254991.db2.gz FGDIKHZUMNVQDI-RYUDHWBXSA-N 1 2 234.334 1.958 20 0 BDADLO CC[C@H](C)[C@@H]1C[N@@H+](CCF)CCN1CCF ZINC000753182623 585254992 /nfs/dbraw/zinc/25/49/92/585254992.db2.gz FGDIKHZUMNVQDI-RYUDHWBXSA-N 1 2 234.334 1.958 20 0 BDADLO CC/C=C(/C)C(=O)NCCc1c[nH+]cn1C ZINC000753680956 585266377 /nfs/dbraw/zinc/26/63/77/585266377.db2.gz YZUQXJGGKZSJQZ-YHYXMXQVSA-N 1 2 221.304 1.435 20 0 BDADLO CC(C)(C)C(=O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000753746485 585267666 /nfs/dbraw/zinc/26/76/66/585267666.db2.gz LCYWSPIELGUJKU-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CC(C)(C)C(=O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000753746485 585267667 /nfs/dbraw/zinc/26/76/67/585267667.db2.gz LCYWSPIELGUJKU-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CC(C)(C)C(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000753746485 585267668 /nfs/dbraw/zinc/26/76/68/585267668.db2.gz LCYWSPIELGUJKU-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CC(C)(C)C(=O)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000753746485 585267669 /nfs/dbraw/zinc/26/76/69/585267669.db2.gz LCYWSPIELGUJKU-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CCC(=O)CC[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000753746580 585267703 /nfs/dbraw/zinc/26/77/03/585267703.db2.gz UDHYFSNYJFARDG-UHFFFAOYSA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CC[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000753746580 585267704 /nfs/dbraw/zinc/26/77/04/585267704.db2.gz UDHYFSNYJFARDG-UHFFFAOYSA-N 1 2 249.376 1.111 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1CCCOC[C@@H]1C ZINC000753796873 585269486 /nfs/dbraw/zinc/26/94/86/585269486.db2.gz UXDUVBDNLYZLCS-VIFPVBQESA-N 1 2 243.738 1.913 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1CCCOC[C@@H]1C ZINC000753796873 585269487 /nfs/dbraw/zinc/26/94/87/585269487.db2.gz UXDUVBDNLYZLCS-VIFPVBQESA-N 1 2 243.738 1.913 20 0 BDADLO CC(C(=O)NCc1c[nH+]c[nH]1)=C1CCCC1 ZINC000754302417 585282417 /nfs/dbraw/zinc/28/24/17/585282417.db2.gz MKIBDQJTPFGTOB-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO CC(C(=O)NCc1c[nH]c[nH+]1)=C1CCCC1 ZINC000754302417 585282418 /nfs/dbraw/zinc/28/24/18/585282418.db2.gz MKIBDQJTPFGTOB-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO CS/C=C/C(=O)NCc1[nH]c[nH+]c1C ZINC000754355978 585283030 /nfs/dbraw/zinc/28/30/30/585283030.db2.gz VCYKUSPWPLPYSB-ONEGZZNKSA-N 1 2 211.290 1.211 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000754564600 585286311 /nfs/dbraw/zinc/28/63/11/585286311.db2.gz GSPPKXYUCMNWCJ-RYUDHWBXSA-N 1 2 243.347 1.590 20 0 BDADLO Cc1ccc(C(=O)OCc2c[nH+]cn2C)o1 ZINC000754687480 585289362 /nfs/dbraw/zinc/28/93/62/585289362.db2.gz MZPLJRKFZBRJFM-UHFFFAOYSA-N 1 2 220.228 1.679 20 0 BDADLO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1nnc(C)o1 ZINC000755139967 585295325 /nfs/dbraw/zinc/29/53/25/585295325.db2.gz CVNCQGRAKZFLMY-GRKOMRHMSA-N 1 2 239.275 1.148 20 0 BDADLO Cn1c[nH+]cc1[C@H]1NC(=O)c2ccc(F)cc2N1 ZINC000755414556 585299334 /nfs/dbraw/zinc/29/93/34/585299334.db2.gz BACPGFXZLBMDFW-LLVKDONJSA-N 1 2 246.245 1.413 20 0 BDADLO Cc1ccc(NC(=O)c2ccc[n+]([O-])c2)c(C)[nH+]1 ZINC000755607457 585302217 /nfs/dbraw/zinc/30/22/17/585302217.db2.gz LQKFDRDCYFZMLW-UHFFFAOYSA-N 1 2 243.266 1.584 20 0 BDADLO Cc1ccnc(COC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000756199069 585315667 /nfs/dbraw/zinc/31/56/67/585315667.db2.gz VQXSCYUBNILHGE-NSHDSACASA-N 1 2 249.314 1.313 20 0 BDADLO Cc1ccnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000756199069 585315668 /nfs/dbraw/zinc/31/56/68/585315668.db2.gz VQXSCYUBNILHGE-NSHDSACASA-N 1 2 249.314 1.313 20 0 BDADLO Cc1ccnc(C[N@H+](CC(N)=O)C2CCCC2)n1 ZINC000756510208 585320554 /nfs/dbraw/zinc/32/05/54/585320554.db2.gz SOLPHZIKIGCZQU-UHFFFAOYSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1ccnc(C[N@@H+](CC(N)=O)C2CCCC2)n1 ZINC000756510208 585320555 /nfs/dbraw/zinc/32/05/55/585320555.db2.gz SOLPHZIKIGCZQU-UHFFFAOYSA-N 1 2 248.330 1.015 20 0 BDADLO CC1(C)CC[C@H](C[NH2+][C@]2(C)CCOC2=O)O1 ZINC000839606382 585331768 /nfs/dbraw/zinc/33/17/68/585331768.db2.gz PCNDTTRJFQWIKP-BXKDBHETSA-N 1 2 227.304 1.239 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)C(C)(C)O)c1 ZINC000757696792 585344509 /nfs/dbraw/zinc/34/45/09/585344509.db2.gz KFYICMKBTFRABM-UHFFFAOYSA-N 1 2 239.271 1.213 20 0 BDADLO CCCC[N@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000758293711 585353276 /nfs/dbraw/zinc/35/32/76/585353276.db2.gz XAOKIUINJDFFGZ-UHFFFAOYSA-N 1 2 238.335 1.071 20 0 BDADLO CCCC[N@@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000758293711 585353277 /nfs/dbraw/zinc/35/32/77/585353277.db2.gz XAOKIUINJDFFGZ-UHFFFAOYSA-N 1 2 238.335 1.071 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300741 585353451 /nfs/dbraw/zinc/35/34/51/585353451.db2.gz PFVZMBIWRQSJGT-GHMZBOCLSA-N 1 2 238.335 1.050 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300741 585353452 /nfs/dbraw/zinc/35/34/52/585353452.db2.gz PFVZMBIWRQSJGT-GHMZBOCLSA-N 1 2 238.335 1.050 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC[C@H]1CCCCO1 ZINC000758763683 585359649 /nfs/dbraw/zinc/35/96/49/585359649.db2.gz OWTIIXBXDBFQQD-NXEZZACHSA-N 1 2 230.308 1.479 20 0 BDADLO COC1(C)C[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000759051078 585363996 /nfs/dbraw/zinc/36/39/96/585363996.db2.gz ZVDMXDPCLJUIMM-GFCCVEGCSA-N 1 2 239.290 1.580 20 0 BDADLO Cn1c[nH+]cc1Cn1c(Cl)cccc1=O ZINC000759157112 585364634 /nfs/dbraw/zinc/36/46/34/585364634.db2.gz NDDNIDFAVHUDHA-UHFFFAOYSA-N 1 2 223.663 1.284 20 0 BDADLO CN(C(=O)C[N@H+](C)CCF)C1CCCCC1 ZINC000759327084 585367603 /nfs/dbraw/zinc/36/76/03/585367603.db2.gz IJWQYXINLQNJNN-UHFFFAOYSA-N 1 2 230.327 1.679 20 0 BDADLO CN(C(=O)C[N@@H+](C)CCF)C1CCCCC1 ZINC000759327084 585367604 /nfs/dbraw/zinc/36/76/04/585367604.db2.gz IJWQYXINLQNJNN-UHFFFAOYSA-N 1 2 230.327 1.679 20 0 BDADLO FCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000759346525 585369914 /nfs/dbraw/zinc/36/99/14/585369914.db2.gz ZFSFVPGXISVWEQ-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO FCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000759346525 585369915 /nfs/dbraw/zinc/36/99/15/585369915.db2.gz ZFSFVPGXISVWEQ-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO CC1(C)C[N@H+](CCF)CCN1CCF ZINC000759346834 585370059 /nfs/dbraw/zinc/37/00/59/585370059.db2.gz KRYMGSHZNZXVIY-UHFFFAOYSA-N 1 2 206.280 1.322 20 0 BDADLO CC1(C)C[N@@H+](CCF)CCN1CCF ZINC000759346834 585370060 /nfs/dbraw/zinc/37/00/60/585370060.db2.gz KRYMGSHZNZXVIY-UHFFFAOYSA-N 1 2 206.280 1.322 20 0 BDADLO CC1(C)CN(CCF)CC[N@@H+]1CCF ZINC000759346834 585370061 /nfs/dbraw/zinc/37/00/61/585370061.db2.gz KRYMGSHZNZXVIY-UHFFFAOYSA-N 1 2 206.280 1.322 20 0 BDADLO CC1(C)CN(CCF)CC[N@H+]1CCF ZINC000759346834 585370062 /nfs/dbraw/zinc/37/00/62/585370062.db2.gz KRYMGSHZNZXVIY-UHFFFAOYSA-N 1 2 206.280 1.322 20 0 BDADLO C[N@H+](CCF)Cc1ccc([S@@](C)=O)cc1 ZINC000759348142 585370705 /nfs/dbraw/zinc/37/07/05/585370705.db2.gz ZOYDLFTWCWIILN-OAHLLOKOSA-N 1 2 229.320 1.825 20 0 BDADLO C[N@@H+](CCF)Cc1ccc([S@@](C)=O)cc1 ZINC000759348142 585370706 /nfs/dbraw/zinc/37/07/06/585370706.db2.gz ZOYDLFTWCWIILN-OAHLLOKOSA-N 1 2 229.320 1.825 20 0 BDADLO Cl/C=C(/Cl)C[N@@H+]1CCc2n[nH]nc2C1 ZINC000759549450 585375540 /nfs/dbraw/zinc/37/55/40/585375540.db2.gz IXYPOFZCGFCGDM-ZZXKWVIFSA-N 1 2 233.102 1.482 20 0 BDADLO Cl/C=C(/Cl)C[N@H+]1CCc2n[nH]nc2C1 ZINC000759549450 585375541 /nfs/dbraw/zinc/37/55/41/585375541.db2.gz IXYPOFZCGFCGDM-ZZXKWVIFSA-N 1 2 233.102 1.482 20 0 BDADLO C/C=C\COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000759809361 585380517 /nfs/dbraw/zinc/38/05/17/585380517.db2.gz JCNPPRYBSVJQAQ-XOULXFPDSA-N 1 2 229.345 1.543 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+](C)C1CC(O)C1 ZINC000759875160 585382078 /nfs/dbraw/zinc/38/20/78/585382078.db2.gz YCKSODIJYKPRFI-UHFFFAOYSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C1CC(O)C1 ZINC000759875160 585382079 /nfs/dbraw/zinc/38/20/79/585382079.db2.gz YCKSODIJYKPRFI-UHFFFAOYSA-N 1 2 243.738 1.337 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761095140 585408633 /nfs/dbraw/zinc/40/86/33/585408633.db2.gz QLFAGMAXYDTVDA-VHSXEESVSA-N 1 2 221.304 1.862 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761095140 585408634 /nfs/dbraw/zinc/40/86/34/585408634.db2.gz QLFAGMAXYDTVDA-VHSXEESVSA-N 1 2 221.304 1.862 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761097181 585408759 /nfs/dbraw/zinc/40/87/59/585408759.db2.gz SLUCDPQOCYMOLH-DTWKUNHWSA-N 1 2 205.261 1.541 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761097181 585408760 /nfs/dbraw/zinc/40/87/60/585408760.db2.gz SLUCDPQOCYMOLH-DTWKUNHWSA-N 1 2 205.261 1.541 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000761108286 585409970 /nfs/dbraw/zinc/40/99/70/585409970.db2.gz JZCBBQXFVOTIDP-VIFPVBQESA-N 1 2 227.258 1.872 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000761108286 585409971 /nfs/dbraw/zinc/40/99/71/585409971.db2.gz JZCBBQXFVOTIDP-VIFPVBQESA-N 1 2 227.258 1.872 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCC1OCCCO1 ZINC000761118971 585410511 /nfs/dbraw/zinc/41/05/11/585410511.db2.gz QJUJGBNEIOUJRZ-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCC1OCCCO1 ZINC000761118971 585410512 /nfs/dbraw/zinc/41/05/12/585410512.db2.gz QJUJGBNEIOUJRZ-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO COc1cc(CO[NH+]=C(N)[C@H](C)OC)ccn1 ZINC000762461663 585432516 /nfs/dbraw/zinc/43/25/16/585432516.db2.gz DWVSULRLFZXCHX-QMMMGPOBSA-N 1 2 239.275 1.124 20 0 BDADLO CN(C)c1cc(Cn2ccsc2=O)cc[nH+]1 ZINC000762479171 585432832 /nfs/dbraw/zinc/43/28/32/585432832.db2.gz KTZLJKSLKHNPCG-UHFFFAOYSA-N 1 2 235.312 1.419 20 0 BDADLO COC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762560544 585433968 /nfs/dbraw/zinc/43/39/68/585433968.db2.gz GLIBIJXXPVEIHP-UHFFFAOYSA-N 1 2 205.217 1.190 20 0 BDADLO CC(=O)Oc1ccc(Cn2cc[nH+]c2)cc1 ZINC000762630514 585434529 /nfs/dbraw/zinc/43/45/29/585434529.db2.gz KDZFDJAWTVDAFI-UHFFFAOYSA-N 1 2 216.240 1.857 20 0 BDADLO C[C@H]1CCC(=CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000762804684 585437655 /nfs/dbraw/zinc/43/76/55/585437655.db2.gz HUYCTSGXXAOMDT-CBFJXKFUSA-N 1 2 232.283 1.894 20 0 BDADLO CS[C@H](C)CCC(=O)OCCn1cc[nH+]c1 ZINC000762927815 585439797 /nfs/dbraw/zinc/43/97/97/585439797.db2.gz JNSPEBZULXDPCJ-SNVBAGLBSA-N 1 2 242.344 1.958 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)cc1O ZINC000763112362 585443213 /nfs/dbraw/zinc/44/32/13/585443213.db2.gz JKFONMPYYKUUTI-UHFFFAOYSA-N 1 2 246.266 1.754 20 0 BDADLO CC[C@@H](C)CO[NH+]=C(N)COC(C)C ZINC000764548668 585467349 /nfs/dbraw/zinc/46/73/49/585467349.db2.gz KENTXWQNWHECHU-SECBINFHSA-N 1 2 202.298 1.956 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)CCn1cc[nH+]c1 ZINC000764816681 585474678 /nfs/dbraw/zinc/47/46/78/585474678.db2.gz HNCXZNVAZBGATK-SNVBAGLBSA-N 1 2 225.292 1.462 20 0 BDADLO CC[N@@H+]1C[C@H](C)N(C(=O)C(F)(F)F)C[C@H]1C ZINC000765932522 585493839 /nfs/dbraw/zinc/49/38/39/585493839.db2.gz ZSEDCPJKBBLATI-SFYZADRCSA-N 1 2 238.253 1.490 20 0 BDADLO CC[N@H+]1C[C@H](C)N(C(=O)C(F)(F)F)C[C@H]1C ZINC000765932522 585493840 /nfs/dbraw/zinc/49/38/40/585493840.db2.gz ZSEDCPJKBBLATI-SFYZADRCSA-N 1 2 238.253 1.490 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)C1CC1 ZINC000767396239 585518979 /nfs/dbraw/zinc/51/89/79/585518979.db2.gz NYUXUAFYTXDFPS-LYGAQUJYSA-N 1 2 243.372 1.197 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)C1CC1 ZINC000767396239 585518980 /nfs/dbraw/zinc/51/89/80/585518980.db2.gz NYUXUAFYTXDFPS-LYGAQUJYSA-N 1 2 243.372 1.197 20 0 BDADLO C/C=C(/C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564532 585522684 /nfs/dbraw/zinc/52/26/84/585522684.db2.gz WMGUJFHLIHFPCB-MCDZVTHESA-N 1 2 239.315 1.359 20 0 BDADLO C/C=C(/C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564532 585522685 /nfs/dbraw/zinc/52/26/85/585522685.db2.gz WMGUJFHLIHFPCB-MCDZVTHESA-N 1 2 239.315 1.359 20 0 BDADLO Cc1cc(NC(=O)N[C@H](CO)C2CC2)c(C)c[nH+]1 ZINC000767941032 585528889 /nfs/dbraw/zinc/52/88/89/585528889.db2.gz DFZJQCWDOGVHNH-GFCCVEGCSA-N 1 2 249.314 1.013 20 0 BDADLO Cc1cc(NC(=O)c2ccc(O)c(F)c2)cc[nH+]1 ZINC000768105340 585531957 /nfs/dbraw/zinc/53/19/57/585531957.db2.gz IXGMBCFRXAJKJT-UHFFFAOYSA-N 1 2 246.241 1.909 20 0 BDADLO c1cc(C[NH+]2CCN(c3cnccn3)CC2)co1 ZINC000768421645 585538520 /nfs/dbraw/zinc/53/85/20/585538520.db2.gz NHVRQLOXOGKTRU-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCC(C)(C)O ZINC000768931850 585546163 /nfs/dbraw/zinc/54/61/63/585546163.db2.gz LUPSGIJUXTYOAD-UHFFFAOYSA-N 1 2 232.324 1.461 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000768934286 585546507 /nfs/dbraw/zinc/54/65/07/585546507.db2.gz NEUFZGJOFWLXNR-MRVPVSSYSA-N 1 2 218.297 1.335 20 0 BDADLO COCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770416618 585574009 /nfs/dbraw/zinc/57/40/09/585574009.db2.gz VHPUGSISVQUWSA-SNVBAGLBSA-N 1 2 247.298 1.489 20 0 BDADLO O=C(N[C@@H]1CCCOC1)c1cccc2[nH+]ccn21 ZINC000770416231 585574123 /nfs/dbraw/zinc/57/41/23/585574123.db2.gz FJHCBHPIPVYMDE-SNVBAGLBSA-N 1 2 245.282 1.243 20 0 BDADLO CSC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770428423 585574147 /nfs/dbraw/zinc/57/41/47/585574147.db2.gz ZGOBNUQCURSCHS-VIFPVBQESA-N 1 2 249.339 1.816 20 0 BDADLO CO[C@H](C(=O)OCCn1cc[nH+]c1)C(C)C ZINC000770626417 585577958 /nfs/dbraw/zinc/57/79/58/585577958.db2.gz GITGOYJLSUEPPR-JTQLQIEISA-N 1 2 226.276 1.097 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)C1CC1 ZINC000770921671 585584361 /nfs/dbraw/zinc/58/43/61/585584361.db2.gz SSEPCOCPEHLIAR-UHFFFAOYSA-N 1 2 216.240 1.788 20 0 BDADLO CCC(CC)C(=O)OCCn1cc[nH+]c1 ZINC000771919228 585604428 /nfs/dbraw/zinc/60/44/28/585604428.db2.gz UKGZITWHSVKVFO-UHFFFAOYSA-N 1 2 210.277 1.863 20 0 BDADLO O=C(CC[C@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000771915935 585604430 /nfs/dbraw/zinc/60/44/30/585604430.db2.gz LCPUNSBYDRTMRP-LLVKDONJSA-N 1 2 238.287 1.386 20 0 BDADLO O=Cc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000772001218 585606600 /nfs/dbraw/zinc/60/66/00/585606600.db2.gz CKCMHXALTLHHPD-UHFFFAOYSA-N 1 2 244.250 1.553 20 0 BDADLO CS[C@@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000772034456 585607411 /nfs/dbraw/zinc/60/74/11/585607411.db2.gz LNVDVLXSXXIOGA-VIFPVBQESA-N 1 2 228.317 1.568 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCOC2)c(C)[nH+]1 ZINC000772045172 585607592 /nfs/dbraw/zinc/60/75/92/585607592.db2.gz BWLKJCXIAJOTCG-LBPRGKRZSA-N 1 2 235.283 1.778 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000772504938 585616839 /nfs/dbraw/zinc/61/68/39/585616839.db2.gz PUPVGAIFXGCTBP-RYUDHWBXSA-N 1 2 241.331 1.154 20 0 BDADLO CCC(CC)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805470541 585623008 /nfs/dbraw/zinc/62/30/08/585623008.db2.gz VFXIAOVELVDNRX-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO CCC(CC)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805470541 585623009 /nfs/dbraw/zinc/62/30/09/585623009.db2.gz VFXIAOVELVDNRX-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772813497 585624639 /nfs/dbraw/zinc/62/46/39/585624639.db2.gz OFJVEXDNVVBLKG-QZGLAHODSA-N 1 2 219.288 1.349 20 0 BDADLO CC=C(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772813497 585624640 /nfs/dbraw/zinc/62/46/40/585624640.db2.gz OFJVEXDNVVBLKG-QZGLAHODSA-N 1 2 219.288 1.349 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cn1cc(Cl)cn1 ZINC000772820491 585624674 /nfs/dbraw/zinc/62/46/74/585624674.db2.gz IFHFVCUJGNFVIK-VIFPVBQESA-N 1 2 229.711 1.605 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cn1cc(Cl)cn1 ZINC000772820491 585624675 /nfs/dbraw/zinc/62/46/75/585624675.db2.gz IFHFVCUJGNFVIK-VIFPVBQESA-N 1 2 229.711 1.605 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OC2CCCC2)C1 ZINC000805475101 585627481 /nfs/dbraw/zinc/62/74/81/585627481.db2.gz WXLAJIOIAVYWIG-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OC2CCCC2)C1 ZINC000805475101 585627482 /nfs/dbraw/zinc/62/74/82/585627482.db2.gz WXLAJIOIAVYWIG-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(F)CCCC1 ZINC000772966258 585628314 /nfs/dbraw/zinc/62/83/14/585628314.db2.gz CUNOOICOTHRNGQ-UHFFFAOYSA-N 1 2 211.240 1.308 20 0 BDADLO Cc1nnc(CO[NH+]=C(N)c2ccccc2)s1 ZINC000773184240 585633293 /nfs/dbraw/zinc/63/32/93/585633293.db2.gz ONHXWHQXXQRJMC-UHFFFAOYSA-N 1 2 248.311 1.893 20 0 BDADLO CC[C@@H](SC)C(=O)NOC1CC[NH+](C)CC1 ZINC000773543230 585640033 /nfs/dbraw/zinc/64/00/33/585640033.db2.gz VBAYOLOAXMTQND-SNVBAGLBSA-N 1 2 246.376 1.270 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1CCC(=O)CC1 ZINC000774141759 585651817 /nfs/dbraw/zinc/65/18/17/585651817.db2.gz ZQEBEWPFLJSRPY-UHFFFAOYSA-N 1 2 236.271 1.223 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cn1cccnc1=S ZINC000774650882 585662681 /nfs/dbraw/zinc/66/26/81/585662681.db2.gz SGTILLBZAJGSQG-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cn1cccnc1=S ZINC000774650882 585662682 /nfs/dbraw/zinc/66/26/82/585662682.db2.gz SGTILLBZAJGSQG-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C(C)(C)F ZINC000805522349 585664900 /nfs/dbraw/zinc/66/49/00/585664900.db2.gz WSICCYDNSNLLRW-UHFFFAOYSA-N 1 2 227.235 1.882 20 0 BDADLO CCc1cnc(C[N@@H+]2CCOCC[C@@H]2C)o1 ZINC000775568871 585679797 /nfs/dbraw/zinc/67/97/97/585679797.db2.gz XOGLRCTVLOTLGO-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCOCC[C@@H]2C)o1 ZINC000775568871 585679798 /nfs/dbraw/zinc/67/97/98/585679798.db2.gz XOGLRCTVLOTLGO-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1nccn1C(F)F ZINC000775566693 585679875 /nfs/dbraw/zinc/67/98/75/585679875.db2.gz AFMAVDPSSAVVES-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1nccn1C(F)F ZINC000775566693 585679876 /nfs/dbraw/zinc/67/98/76/585679876.db2.gz AFMAVDPSSAVVES-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO CCc1noc(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000775570475 585680311 /nfs/dbraw/zinc/68/03/11/585680311.db2.gz OUXUQHUFMCOBPY-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000775570475 585680312 /nfs/dbraw/zinc/68/03/12/585680312.db2.gz OUXUQHUFMCOBPY-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CC(C)(O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000775968657 585688630 /nfs/dbraw/zinc/68/86/30/585688630.db2.gz XCNDUUSGPCTCSX-UHFFFAOYSA-N 1 2 247.298 1.225 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)c2ccccc2)C1 ZINC000776306534 585695471 /nfs/dbraw/zinc/69/54/71/585695471.db2.gz NHALQKDNJRGYSR-UHFFFAOYSA-N 1 2 249.310 1.564 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000776521904 585700096 /nfs/dbraw/zinc/70/00/96/585700096.db2.gz WTQKKUCAZUFXTQ-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000776521904 585700097 /nfs/dbraw/zinc/70/00/97/585700097.db2.gz WTQKKUCAZUFXTQ-QMMMGPOBSA-N 1 2 210.277 1.365 20 0 BDADLO CC(C)COC(=O)C[N@H+](CCCO)C1CC1 ZINC000776584329 585701583 /nfs/dbraw/zinc/70/15/83/585701583.db2.gz LWDLJZGYHYFLOW-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)COC(=O)C[N@@H+](CCCO)C1CC1 ZINC000776584329 585701584 /nfs/dbraw/zinc/70/15/84/585701584.db2.gz LWDLJZGYHYFLOW-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO COCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000776819908 585706061 /nfs/dbraw/zinc/70/60/61/585706061.db2.gz KHJXXGGZMWYMNX-UHFFFAOYSA-N 1 2 247.298 1.491 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCF ZINC000776854078 585706108 /nfs/dbraw/zinc/70/61/08/585706108.db2.gz OEDBMNMZDZBARJ-MRVPVSSYSA-N 1 2 204.289 1.191 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCF ZINC000776854078 585706109 /nfs/dbraw/zinc/70/61/09/585706109.db2.gz OEDBMNMZDZBARJ-MRVPVSSYSA-N 1 2 204.289 1.191 20 0 BDADLO CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777456147 585712666 /nfs/dbraw/zinc/71/26/66/585712666.db2.gz YABFZAUCPCLEMB-SECBINFHSA-N 1 2 249.314 1.688 20 0 BDADLO C/C=C\C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777457287 585712668 /nfs/dbraw/zinc/71/26/68/585712668.db2.gz MXFFIEOBHXWWLO-FIFYQCSRSA-N 1 2 205.261 1.649 20 0 BDADLO COC(=O)/C(C)=C\CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000778228836 585728365 /nfs/dbraw/zinc/72/83/65/585728365.db2.gz PEFFMRZLBCIZLP-VQNWOSHQSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778228836 585728366 /nfs/dbraw/zinc/72/83/66/585728366.db2.gz PEFFMRZLBCIZLP-VQNWOSHQSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778228836 585728367 /nfs/dbraw/zinc/72/83/67/585728367.db2.gz PEFFMRZLBCIZLP-VQNWOSHQSA-N 1 2 249.314 1.666 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncnc2)C[C@@H]1F ZINC000779148253 585745832 /nfs/dbraw/zinc/74/58/32/585745832.db2.gz HDNPSXOMVFQEAF-KOLCDFICSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncnc2)C[C@@H]1F ZINC000779148253 585745833 /nfs/dbraw/zinc/74/58/33/585745833.db2.gz HDNPSXOMVFQEAF-KOLCDFICSA-N 1 2 209.268 1.657 20 0 BDADLO NC(CCO)=[NH+]OCc1cccc(F)c1Cl ZINC000780126365 585772880 /nfs/dbraw/zinc/77/28/80/585772880.db2.gz ZUSHPKINKMYLPK-UHFFFAOYSA-N 1 2 246.669 1.860 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC=CO1 ZINC000781478880 585796846 /nfs/dbraw/zinc/79/68/46/585796846.db2.gz FLFNHFYUQZSFJQ-NSHDSACASA-N 1 2 235.287 1.082 20 0 BDADLO CCOCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000782336360 585815570 /nfs/dbraw/zinc/81/55/70/585815570.db2.gz DIPVEUXIHKHPBY-SNVBAGLBSA-N 1 2 232.324 1.582 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000782540167 585820036 /nfs/dbraw/zinc/82/00/36/585820036.db2.gz ZSAWDPBURNRJHN-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000782540167 585820037 /nfs/dbraw/zinc/82/00/37/585820037.db2.gz ZSAWDPBURNRJHN-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(F)c1 ZINC000782585747 585820909 /nfs/dbraw/zinc/82/09/09/585820909.db2.gz PNEUOHWCQXPTSM-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(F)c1 ZINC000782585747 585820910 /nfs/dbraw/zinc/82/09/10/585820910.db2.gz PNEUOHWCQXPTSM-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO CCc1cnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782607574 585821613 /nfs/dbraw/zinc/82/16/13/585821613.db2.gz KCFUNDMGYILFFZ-SKDRFNHKSA-N 1 2 222.288 1.051 20 0 BDADLO CCc1cnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782607574 585821614 /nfs/dbraw/zinc/82/16/14/585821614.db2.gz KCFUNDMGYILFFZ-SKDRFNHKSA-N 1 2 222.288 1.051 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)[nH]1 ZINC000782613339 585822280 /nfs/dbraw/zinc/82/22/80/585822280.db2.gz HRYAXYPBUZFCEZ-SMDDNHRTSA-N 1 2 248.326 1.128 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)[nH]1 ZINC000782613339 585822281 /nfs/dbraw/zinc/82/22/81/585822281.db2.gz HRYAXYPBUZFCEZ-SMDDNHRTSA-N 1 2 248.326 1.128 20 0 BDADLO OCCSCCSCCn1cc[nH+]c1 ZINC000783583509 585837391 /nfs/dbraw/zinc/83/73/91/585837391.db2.gz PABSITYQQXXEBL-UHFFFAOYSA-N 1 2 232.374 1.342 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CC1 ZINC000784055464 585847982 /nfs/dbraw/zinc/84/79/82/585847982.db2.gz RJCSKDUTXONKAT-RYUDHWBXSA-N 1 2 234.299 1.863 20 0 BDADLO CCC/C=C\C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784919069 585868347 /nfs/dbraw/zinc/86/83/47/585868347.db2.gz VNZPLBYNNHGYOC-FOQNGQEVSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@H](NC(=O)/C=C\SC)c1[nH]cc[nH+]1 ZINC000785420755 585873257 /nfs/dbraw/zinc/87/32/57/585873257.db2.gz BYROMEYQHLFBNJ-NZGHECTNSA-N 1 2 225.317 1.854 20 0 BDADLO CC[C@H](NC(=O)C=CSC)c1[nH]cc[nH+]1 ZINC000785420755 585873258 /nfs/dbraw/zinc/87/32/58/585873258.db2.gz BYROMEYQHLFBNJ-NZGHECTNSA-N 1 2 225.317 1.854 20 0 BDADLO C[C@H](O)C[N@H+](C/C(Cl)=C/Cl)[C@@H](C)CO ZINC000785534399 585875129 /nfs/dbraw/zinc/87/51/29/585875129.db2.gz KRWZTGDSOTXTJR-JPUWEUPBSA-N 1 2 242.146 1.369 20 0 BDADLO C[C@H](O)C[N@@H+](C/C(Cl)=C/Cl)[C@@H](C)CO ZINC000785534399 585875130 /nfs/dbraw/zinc/87/51/30/585875130.db2.gz KRWZTGDSOTXTJR-JPUWEUPBSA-N 1 2 242.146 1.369 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000785521934 585875240 /nfs/dbraw/zinc/87/52/40/585875240.db2.gz IVRZLBRQHXAVTQ-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO COCC[N@H+](CCF)Cc1ccccn1 ZINC000805783404 585876482 /nfs/dbraw/zinc/87/64/82/585876482.db2.gz XHPYGENBLIPTTP-UHFFFAOYSA-N 1 2 212.268 1.500 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccccn1 ZINC000805783404 585876483 /nfs/dbraw/zinc/87/64/83/585876483.db2.gz XHPYGENBLIPTTP-UHFFFAOYSA-N 1 2 212.268 1.500 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000786677081 585895954 /nfs/dbraw/zinc/89/59/54/585895954.db2.gz MSXLQVSYYBVUEH-VHSXEESVSA-N 1 2 247.298 1.488 20 0 BDADLO CSC1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000787246064 585903436 /nfs/dbraw/zinc/90/34/36/585903436.db2.gz BMUMAOOLTHPEFJ-UHFFFAOYSA-N 1 2 240.328 1.712 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c(C)o1 ZINC000787417443 585909001 /nfs/dbraw/zinc/90/90/01/585909001.db2.gz NFEFJWKWEWDTIQ-ZWNOBZJWSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c(C)o1 ZINC000787417443 585909002 /nfs/dbraw/zinc/90/90/02/585909002.db2.gz NFEFJWKWEWDTIQ-ZWNOBZJWSA-N 1 2 239.315 1.478 20 0 BDADLO COCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789605310 585944688 /nfs/dbraw/zinc/94/46/88/585944688.db2.gz FRPNOBFTMQMRTF-VIFPVBQESA-N 1 2 216.281 1.090 20 0 BDADLO CC(C)OCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789607732 585946073 /nfs/dbraw/zinc/94/60/73/585946073.db2.gz IBPIMFSZUHEGKK-VIFPVBQESA-N 1 2 216.281 1.089 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000789608519 585946292 /nfs/dbraw/zinc/94/62/92/585946292.db2.gz KJMWHVLBRLTTBM-BDAKNGLRSA-N 1 2 216.281 1.089 20 0 BDADLO NC(=[NH+]OCC1CCCC1)[C@@H]1CCCO1 ZINC000789610845 585946554 /nfs/dbraw/zinc/94/65/54/585946554.db2.gz LULVXCQGRPLHPM-JTQLQIEISA-N 1 2 212.293 1.854 20 0 BDADLO NC(=[NH+]OCC1CCOCC1)[C@@H]1CCCO1 ZINC000789614018 585946819 /nfs/dbraw/zinc/94/68/19/585946819.db2.gz ZXHPOENBVJUHTE-JTQLQIEISA-N 1 2 228.292 1.090 20 0 BDADLO NC(=[NH+]OC[C@H]1CCCOC1)[C@@H]1CCCO1 ZINC000789614235 585946913 /nfs/dbraw/zinc/94/69/13/585946913.db2.gz YWJVITWRBNYTGB-UWVGGRQHSA-N 1 2 228.292 1.090 20 0 BDADLO Cc1ccc2[nH+]c(CNc3nncn3C)cn2c1 ZINC000789878693 585952367 /nfs/dbraw/zinc/95/23/67/585952367.db2.gz SFWZBNKLETWGEB-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO Cc1n[nH]nc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000789947382 585954410 /nfs/dbraw/zinc/95/44/10/585954410.db2.gz ATUHXHXNLDZCJS-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000790338653 585964164 /nfs/dbraw/zinc/96/41/64/585964164.db2.gz NOJKXDVOPHFILE-DTWKUNHWSA-N 1 2 247.302 1.626 20 0 BDADLO COC(=O)NCc1cn2ccccc2[nH+]1 ZINC000790429729 585964555 /nfs/dbraw/zinc/96/45/55/585964555.db2.gz FIZSWSFPJVALPV-UHFFFAOYSA-N 1 2 205.217 1.190 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2CCCC2=O)c1 ZINC000790451476 585964908 /nfs/dbraw/zinc/96/49/08/585964908.db2.gz NMXXAJQPWSMECF-UHFFFAOYSA-N 1 2 235.331 1.520 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2CCCC2=O)c1 ZINC000790451476 585964909 /nfs/dbraw/zinc/96/49/09/585964909.db2.gz NMXXAJQPWSMECF-UHFFFAOYSA-N 1 2 235.331 1.520 20 0 BDADLO CCC1=C(C(=O)NCc2[nH+]ccn2C)CCCO1 ZINC000790583124 585966490 /nfs/dbraw/zinc/96/64/90/585966490.db2.gz UJJBUTXKMLYUCW-UHFFFAOYSA-N 1 2 249.314 1.511 20 0 BDADLO Cc1cccn2cc(CC(=O)OC[C@H](C)O)[nH+]c12 ZINC000791884441 585990124 /nfs/dbraw/zinc/99/01/24/585990124.db2.gz BAQKYGMMAFFEDI-JTQLQIEISA-N 1 2 248.282 1.109 20 0 BDADLO Cn1ccc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000792018662 585993795 /nfs/dbraw/zinc/99/37/95/585993795.db2.gz IMNLMXISJKDRHA-UHFFFAOYSA-N 1 2 231.255 1.359 20 0 BDADLO COC1(C(=O)OCc2cc[nH+]c(N)c2)CCC1 ZINC000792118268 585996001 /nfs/dbraw/zinc/99/60/01/585996001.db2.gz CKTVCWAROSNLPP-UHFFFAOYSA-N 1 2 236.271 1.276 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792149405 585996599 /nfs/dbraw/zinc/99/65/99/585996599.db2.gz HJGSHYVFFHPEMK-QWRGUYRKSA-N 1 2 234.299 1.999 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)c1cccc2[nH+]ccn21 ZINC000792526887 586001709 /nfs/dbraw/zinc/00/17/09/586001709.db2.gz BKFMIGCBVJDKSV-NXEZZACHSA-N 1 2 229.283 1.957 20 0 BDADLO CON(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000792924282 586007224 /nfs/dbraw/zinc/00/72/24/586007224.db2.gz WCZUUFGRMKMMMC-UHFFFAOYSA-N 1 2 233.271 1.515 20 0 BDADLO COCC1(C(=O)OCc2c[nH+]cn2C)CCC1 ZINC000793162889 586012307 /nfs/dbraw/zinc/01/23/07/586012307.db2.gz OPMVAQCTCXAVGP-UHFFFAOYSA-N 1 2 238.287 1.280 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793237128 586014851 /nfs/dbraw/zinc/01/48/51/586014851.db2.gz FESXIVZEXPOCMA-VXGBXAGGSA-N 1 2 236.315 1.798 20 0 BDADLO CCC[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793251095 586015091 /nfs/dbraw/zinc/01/50/91/586015091.db2.gz TXFXDWRURSRWBB-SNVBAGLBSA-N 1 2 224.304 1.942 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CCCOC1 ZINC000793507920 586021140 /nfs/dbraw/zinc/02/11/40/586021140.db2.gz HVAZMMBLRZIARK-NSHDSACASA-N 1 2 248.326 1.821 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc[nH]1 ZINC000793746084 586025833 /nfs/dbraw/zinc/02/58/33/586025833.db2.gz JQSDLOKKCPNVSA-JTQLQIEISA-N 1 2 246.314 1.558 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CN1C[C@@H](C(F)F)CC1=O ZINC000793808489 586026811 /nfs/dbraw/zinc/02/68/11/586026811.db2.gz HBKWZBZJLDVVQR-DTWKUNHWSA-N 1 2 232.274 1.542 20 0 BDADLO CC[C@@H]1CC[N@H+]1CN1C[C@@H](C(F)F)CC1=O ZINC000793808489 586026812 /nfs/dbraw/zinc/02/68/12/586026812.db2.gz HBKWZBZJLDVVQR-DTWKUNHWSA-N 1 2 232.274 1.542 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CN1C(=O)c2ccccc2C1=O ZINC000793819203 586027163 /nfs/dbraw/zinc/02/71/63/586027163.db2.gz HGTMHURCHPOSPJ-SNVBAGLBSA-N 1 2 244.294 1.724 20 0 BDADLO CC[C@@H]1CC[N@H+]1CN1C(=O)c2ccccc2C1=O ZINC000793819203 586027164 /nfs/dbraw/zinc/02/71/64/586027164.db2.gz HGTMHURCHPOSPJ-SNVBAGLBSA-N 1 2 244.294 1.724 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cn1c2ccccc2n(C)c1=O ZINC000793821300 586027595 /nfs/dbraw/zinc/02/75/95/586027595.db2.gz OOLBGZBTPPPUAN-LLVKDONJSA-N 1 2 245.326 1.782 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cn1c2ccccc2n(C)c1=O ZINC000793821300 586027596 /nfs/dbraw/zinc/02/75/96/586027596.db2.gz OOLBGZBTPPPUAN-LLVKDONJSA-N 1 2 245.326 1.782 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC000794410730 586039030 /nfs/dbraw/zinc/03/90/30/586039030.db2.gz FOJHPYPNNWIBET-NSHDSACASA-N 1 2 249.314 1.295 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCC3(C2)OCCO3)cn1 ZINC000794410730 586039031 /nfs/dbraw/zinc/03/90/31/586039031.db2.gz FOJHPYPNNWIBET-NSHDSACASA-N 1 2 249.314 1.295 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)[nH]1 ZINC000794448964 586039848 /nfs/dbraw/zinc/03/98/48/586039848.db2.gz JZSJTPQAJITXLW-ZETCQYMHSA-N 1 2 234.225 1.497 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)(F)F)C2)[nH]1 ZINC000794448964 586039849 /nfs/dbraw/zinc/03/98/49/586039849.db2.gz JZSJTPQAJITXLW-ZETCQYMHSA-N 1 2 234.225 1.497 20 0 BDADLO NC(=[NH+]OC[C@@H]1CCCO1)c1ccccc1 ZINC000794518880 586041291 /nfs/dbraw/zinc/04/12/91/586041291.db2.gz MVYTVQSBDVCPAV-NSHDSACASA-N 1 2 220.272 1.712 20 0 BDADLO NC(=[NH+]OC[C@H]1CCCO1)c1ccccc1 ZINC000794518878 586041317 /nfs/dbraw/zinc/04/13/17/586041317.db2.gz MVYTVQSBDVCPAV-LLVKDONJSA-N 1 2 220.272 1.712 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]2C[C@@H]21 ZINC000794797476 586048915 /nfs/dbraw/zinc/04/89/15/586048915.db2.gz VPCNPLFLQNAUBP-MNOVXSKESA-N 1 2 234.303 1.077 20 0 BDADLO CC1=C(C)C[N@H+](Cn2ccsc2=O)CC1 ZINC000794880107 586052949 /nfs/dbraw/zinc/05/29/49/586052949.db2.gz IHAHVUBIRXXUAY-UHFFFAOYSA-N 1 2 224.329 1.909 20 0 BDADLO CC1=C(C)C[N@@H+](Cn2ccsc2=O)CC1 ZINC000794880107 586052951 /nfs/dbraw/zinc/05/29/51/586052951.db2.gz IHAHVUBIRXXUAY-UHFFFAOYSA-N 1 2 224.329 1.909 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cnns1 ZINC000859300562 589028150 /nfs/dbraw/zinc/02/81/50/589028150.db2.gz AUVQYPILCQWJAS-ZETCQYMHSA-N 1 2 201.295 1.005 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cnns1 ZINC000859300562 589028151 /nfs/dbraw/zinc/02/81/51/589028151.db2.gz AUVQYPILCQWJAS-ZETCQYMHSA-N 1 2 201.295 1.005 20 0 BDADLO CCOC1CC(CO[NH+]=C(N)[C@@H](C)OC)C1 ZINC000795216224 586070097 /nfs/dbraw/zinc/07/00/97/586070097.db2.gz ZHDMUDKHOSKLLB-XNWIYYODSA-N 1 2 230.308 1.335 20 0 BDADLO NC(=[NH+]OCCCCF)[C@@H]1CCCO1 ZINC000795229571 586072599 /nfs/dbraw/zinc/07/25/99/586072599.db2.gz KPEOFKSYHFHJCG-QMMMGPOBSA-N 1 2 204.245 1.414 20 0 BDADLO C[N@H+](Cc1cccnc1)[C@@H]1CC(C)(C)OC1=O ZINC000795663144 586090429 /nfs/dbraw/zinc/09/04/29/586090429.db2.gz YECTXQYSJWCSEK-LLVKDONJSA-N 1 2 234.299 1.608 20 0 BDADLO C[N@@H+](Cc1cccnc1)[C@@H]1CC(C)(C)OC1=O ZINC000795663144 586090430 /nfs/dbraw/zinc/09/04/30/586090430.db2.gz YECTXQYSJWCSEK-LLVKDONJSA-N 1 2 234.299 1.608 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)O1 ZINC000795710377 586091592 /nfs/dbraw/zinc/09/15/92/586091592.db2.gz OUZIHJNCHZWUEE-GMTAPVOTSA-N 1 2 241.331 1.580 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)O1 ZINC000795710377 586091593 /nfs/dbraw/zinc/09/15/93/586091593.db2.gz OUZIHJNCHZWUEE-GMTAPVOTSA-N 1 2 241.331 1.580 20 0 BDADLO COc1ccc([NH2+]CC2(C)COC2)cc1CO ZINC000796334957 586101121 /nfs/dbraw/zinc/10/11/21/586101121.db2.gz UIEJVDNBNUZGER-UHFFFAOYSA-N 1 2 237.299 1.636 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H](C)[S@]1=O ZINC000796366425 586101597 /nfs/dbraw/zinc/10/15/97/586101597.db2.gz LJGCTVFIUNCTOK-WMFCPRSFSA-N 1 2 235.780 1.970 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H](C)[S@]1=O ZINC000796366425 586101598 /nfs/dbraw/zinc/10/15/98/586101598.db2.gz LJGCTVFIUNCTOK-WMFCPRSFSA-N 1 2 235.780 1.970 20 0 BDADLO CC[C@@H]1C[N@H+](CCC(C)=O)C[C@H](C)[S@]1=O ZINC000796373272 586102038 /nfs/dbraw/zinc/10/20/38/586102038.db2.gz AHEMUGUKJJGNDV-FIXISWKDSA-N 1 2 231.361 1.197 20 0 BDADLO CC[C@@H]1C[N@@H+](CCC(C)=O)C[C@H](C)[S@]1=O ZINC000796373272 586102039 /nfs/dbraw/zinc/10/20/39/586102039.db2.gz AHEMUGUKJJGNDV-FIXISWKDSA-N 1 2 231.361 1.197 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1occ2c1CCOC2 ZINC000796381687 586102457 /nfs/dbraw/zinc/10/24/57/586102457.db2.gz VSLSHDNNTCNLTR-UHFFFAOYSA-N 1 2 247.254 1.005 20 0 BDADLO CCc1noc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000796542916 586106614 /nfs/dbraw/zinc/10/66/14/586106614.db2.gz LMKDBVQUDPAMQR-UHFFFAOYSA-N 1 2 231.246 1.863 20 0 BDADLO C[C@]1(C(N)=O)CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000796580798 586107322 /nfs/dbraw/zinc/10/73/22/586107322.db2.gz LPHCGXLWPYCYAX-QMMMGPOBSA-N 1 2 242.216 1.084 20 0 BDADLO C[C@]1(C(N)=O)CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000796580798 586107323 /nfs/dbraw/zinc/10/73/23/586107323.db2.gz LPHCGXLWPYCYAX-QMMMGPOBSA-N 1 2 242.216 1.084 20 0 BDADLO CC(C)([NH2+]Cc1ccon1)C(=O)N1CCCC1 ZINC000796591260 586108195 /nfs/dbraw/zinc/10/81/95/586108195.db2.gz DJDXXQGQOIBPEH-UHFFFAOYSA-N 1 2 237.303 1.165 20 0 BDADLO Cc1cc[nH]c1C(=O)OCCn1cc[nH+]c1 ZINC000797909770 586134166 /nfs/dbraw/zinc/13/41/66/586134166.db2.gz VVDOESPKBZYXLU-UHFFFAOYSA-N 1 2 219.244 1.377 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC[S@](C)=O ZINC000798194255 586139295 /nfs/dbraw/zinc/13/92/95/586139295.db2.gz YMQISYLNEHROFB-BONVTDFDSA-N 1 2 226.345 1.243 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC[S@](C)=O ZINC000798194255 586139296 /nfs/dbraw/zinc/13/92/96/586139296.db2.gz YMQISYLNEHROFB-BONVTDFDSA-N 1 2 226.345 1.243 20 0 BDADLO Cc1c(C(=O)OCCCn2cc[nH+]c2)ccn1C ZINC000798724652 586149106 /nfs/dbraw/zinc/14/91/06/586149106.db2.gz CSZSAJBAHGCOFU-UHFFFAOYSA-N 1 2 247.298 1.777 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965356 586154440 /nfs/dbraw/zinc/15/44/40/586154440.db2.gz ZXPMVAIPTIHDRD-NSHDSACASA-N 1 2 234.299 1.434 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965356 586154441 /nfs/dbraw/zinc/15/44/41/586154441.db2.gz ZXPMVAIPTIHDRD-NSHDSACASA-N 1 2 234.299 1.434 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(Cl)n(C)n2)[C@H]1C ZINC000859316604 589030940 /nfs/dbraw/zinc/03/09/40/589030940.db2.gz YGIVIOGLDFNXRA-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)[C@H]1C ZINC000859316604 589030941 /nfs/dbraw/zinc/03/09/41/589030941.db2.gz YGIVIOGLDFNXRA-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO CC[C@H]1C[N@H+](Cn2cc(Cl)cn2)CCCO1 ZINC000799162029 586162857 /nfs/dbraw/zinc/16/28/57/586162857.db2.gz KFAGTUZNUQXCRR-NSHDSACASA-N 1 2 243.738 1.995 20 0 BDADLO CC[C@H]1C[N@@H+](Cn2cc(Cl)cn2)CCCO1 ZINC000799162029 586162858 /nfs/dbraw/zinc/16/28/58/586162858.db2.gz KFAGTUZNUQXCRR-NSHDSACASA-N 1 2 243.738 1.995 20 0 BDADLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccoc1 ZINC000800293789 586209391 /nfs/dbraw/zinc/20/93/91/586209391.db2.gz LEGZSUBNYKYGOI-UHFFFAOYSA-N 1 2 234.303 1.916 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1c[nH]c(=S)[nH]1 ZINC000800691018 586226954 /nfs/dbraw/zinc/22/69/54/586226954.db2.gz ZTPZTELUXWWBKE-UHFFFAOYSA-N 1 2 234.284 1.076 20 0 BDADLO Cc1nc(C(=O)OCCCn2cc[nH+]c2)co1 ZINC000801397012 586255546 /nfs/dbraw/zinc/25/55/46/586255546.db2.gz LBWZDUICXHFGPG-UHFFFAOYSA-N 1 2 235.243 1.427 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564270 586263207 /nfs/dbraw/zinc/26/32/07/586263207.db2.gz YGDIUTFIAHMDBX-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801564270 586263208 /nfs/dbraw/zinc/26/32/08/586263208.db2.gz YGDIUTFIAHMDBX-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO CN1CC[N@@H+](CCSC(C)(C)C)CC1=O ZINC000801922870 586277462 /nfs/dbraw/zinc/27/74/62/586277462.db2.gz RHMTZNNGAQXMQA-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO CC(C)(C)SCC[NH+]1CCS(=O)CC1 ZINC000801920501 586277438 /nfs/dbraw/zinc/27/74/38/586277438.db2.gz QWGTYPXKGKMMFN-UHFFFAOYSA-N 1 2 235.418 1.582 20 0 BDADLO CN1CC[N@H+](CCSC(C)(C)C)CC1=O ZINC000801922870 586277461 /nfs/dbraw/zinc/27/74/61/586277461.db2.gz RHMTZNNGAQXMQA-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000801944308 586281697 /nfs/dbraw/zinc/28/16/97/586281697.db2.gz RYUUYZKAMHQSGR-SWLSCSKDSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000801944308 586281701 /nfs/dbraw/zinc/28/17/01/586281701.db2.gz RYUUYZKAMHQSGR-SWLSCSKDSA-N 1 2 247.338 1.939 20 0 BDADLO C[C@H]1C[N@H+](CN2CCC(C)(C)C2=O)[C@@H](C)CO1 ZINC000839956975 586294009 /nfs/dbraw/zinc/29/40/09/586294009.db2.gz AQKGJCKEHNMPJH-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCC(C)(C)C2=O)[C@@H](C)CO1 ZINC000839956975 586294010 /nfs/dbraw/zinc/29/40/10/586294010.db2.gz AQKGJCKEHNMPJH-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CO ZINC000802225699 586296713 /nfs/dbraw/zinc/29/67/13/586296713.db2.gz NLVYHCBCBGEIBT-UHFFFAOYSA-N 1 2 246.266 1.216 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241322 586299394 /nfs/dbraw/zinc/29/93/94/586299394.db2.gz ZPIODCDZHOIMPD-GRYCIOLGSA-N 1 2 243.322 1.866 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241322 586299397 /nfs/dbraw/zinc/29/93/97/586299397.db2.gz ZPIODCDZHOIMPD-GRYCIOLGSA-N 1 2 243.322 1.866 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CCOC(C)(C)C2)C(=O)[C@@H]1C ZINC000839964694 586304362 /nfs/dbraw/zinc/30/43/62/586304362.db2.gz RFVSFLCKVPTJMP-WDEREUQCSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@H]1CN(C[N@H+]2CCOC(C)(C)C2)C(=O)[C@@H]1C ZINC000839964694 586304364 /nfs/dbraw/zinc/30/43/64/586304364.db2.gz RFVSFLCKVPTJMP-WDEREUQCSA-N 1 2 240.347 1.169 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000802653559 586307797 /nfs/dbraw/zinc/30/77/97/586307797.db2.gz YCWONNNWPJBZBU-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000802653559 586307799 /nfs/dbraw/zinc/30/77/99/586307799.db2.gz YCWONNNWPJBZBU-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO C[C@@H](C(=O)OCCCc1[nH+]ccn1C)C1CC1 ZINC000802783649 586314045 /nfs/dbraw/zinc/31/40/45/586314045.db2.gz APMNOHNZLSJFHT-SNVBAGLBSA-N 1 2 236.315 1.942 20 0 BDADLO C/C=C(\C)C(=O)OCCCc1[nH+]ccn1C ZINC000802786665 586314266 /nfs/dbraw/zinc/31/42/66/586314266.db2.gz WVEWQRZKXALCKN-ONNFQVAWSA-N 1 2 222.288 1.862 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803701954 586370093 /nfs/dbraw/zinc/37/00/93/586370093.db2.gz BGSBWPLYYQWQPB-MWLCHTKSSA-N 1 2 229.320 1.483 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CCOC(C)(C)[C@H]2C)C1=O ZINC000840029806 586385051 /nfs/dbraw/zinc/38/50/51/586385051.db2.gz VCOSCWGVRCAKCW-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CCOC(C)(C)[C@H]2C)C1=O ZINC000840029806 586385053 /nfs/dbraw/zinc/38/50/53/586385053.db2.gz VCOSCWGVRCAKCW-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000840034445 586385808 /nfs/dbraw/zinc/38/58/08/586385808.db2.gz BZBBCVNSMILKDT-NSHDSACASA-N 1 2 238.331 1.067 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CCOC3(CCC3)C2)C1=O ZINC000840034445 586385811 /nfs/dbraw/zinc/38/58/11/586385811.db2.gz BZBBCVNSMILKDT-NSHDSACASA-N 1 2 238.331 1.067 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]2C[C@@H]21 ZINC000804303668 586389940 /nfs/dbraw/zinc/38/99/40/586389940.db2.gz WUELGVQJULVNSL-PWSUYJOCSA-N 1 2 241.294 1.959 20 0 BDADLO C/C(=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804334911 586391303 /nfs/dbraw/zinc/39/13/03/586391303.db2.gz MQJVIZIOOXKQEE-GYGFLDJKSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H]1CN(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000840040680 586391476 /nfs/dbraw/zinc/39/14/76/586391476.db2.gz OOPWUTXMEVHLDQ-WYUUTHIRSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000840040680 586391477 /nfs/dbraw/zinc/39/14/77/586391477.db2.gz OOPWUTXMEVHLDQ-WYUUTHIRSA-N 1 2 240.347 1.168 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC=CO1 ZINC000804333960 586391671 /nfs/dbraw/zinc/39/16/71/586391671.db2.gz UGSBFPNWNWCQOP-ZYHUDNBSSA-N 1 2 247.298 1.007 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)C1=O ZINC000840042367 586395081 /nfs/dbraw/zinc/39/50/81/586395081.db2.gz OQJYACJUBOGWCU-AXFHLTTASA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CC[C@H](C)[C@@H](F)C2)C1=O ZINC000840042367 586395083 /nfs/dbraw/zinc/39/50/83/586395083.db2.gz OQJYACJUBOGWCU-AXFHLTTASA-N 1 2 228.311 1.492 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cnn(C)n2)cn1 ZINC000806167135 586406744 /nfs/dbraw/zinc/40/67/44/586406744.db2.gz LPMVAPBQKYJWGB-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CN1Cc2cccnc2C1=O ZINC000840076587 586419115 /nfs/dbraw/zinc/41/91/15/586419115.db2.gz PJGCAWJBYBRUBJ-LLVKDONJSA-N 1 2 231.299 1.479 20 0 BDADLO CC[C@@H]1CC[N@H+]1CN1Cc2cccnc2C1=O ZINC000840076587 586419117 /nfs/dbraw/zinc/41/91/17/586419117.db2.gz PJGCAWJBYBRUBJ-LLVKDONJSA-N 1 2 231.299 1.479 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCO[C@H](C)C2)n1 ZINC000843145047 586433412 /nfs/dbraw/zinc/43/34/12/586433412.db2.gz SFYSXRJLNXEXEV-BDAKNGLRSA-N 1 2 225.292 1.462 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cccnc1F ZINC000807450558 586444745 /nfs/dbraw/zinc/44/47/45/586444745.db2.gz KVZTVVBKXZCTNP-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CC[NH2+]Cc1noc(/C=C\c2cccnc2)n1 ZINC000843145506 586445347 /nfs/dbraw/zinc/44/53/47/586445347.db2.gz NNHUREWKKJHEJO-WAYWQWQTSA-N 1 2 230.271 1.745 20 0 BDADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@H](F)C2)[C@H]1C1CC1 ZINC000840102627 586446838 /nfs/dbraw/zinc/44/68/38/586446838.db2.gz XWUZORCTFZHJOP-QWRGUYRKSA-N 1 2 240.322 1.635 20 0 BDADLO CC1(C)C(=O)N(C[N@H+]2CC[C@H](F)C2)[C@H]1C1CC1 ZINC000840102627 586446840 /nfs/dbraw/zinc/44/68/40/586446840.db2.gz XWUZORCTFZHJOP-QWRGUYRKSA-N 1 2 240.322 1.635 20 0 BDADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC[C@H](F)C1 ZINC000840103503 586447231 /nfs/dbraw/zinc/44/72/31/586447231.db2.gz MKKQKFVRSXSWJL-NSHDSACASA-N 1 2 240.322 1.780 20 0 BDADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC[C@H](F)C1 ZINC000840103503 586447232 /nfs/dbraw/zinc/44/72/32/586447232.db2.gz MKKQKFVRSXSWJL-NSHDSACASA-N 1 2 240.322 1.780 20 0 BDADLO O=C1CC2(CCCC2)CN1C[N@H+]1CC[C@@H](F)C1 ZINC000840103502 586447256 /nfs/dbraw/zinc/44/72/56/586447256.db2.gz MKKQKFVRSXSWJL-LLVKDONJSA-N 1 2 240.322 1.780 20 0 BDADLO O=C1CC2(CCCC2)CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000840103502 586447257 /nfs/dbraw/zinc/44/72/57/586447257.db2.gz MKKQKFVRSXSWJL-LLVKDONJSA-N 1 2 240.322 1.780 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000840105383 586447432 /nfs/dbraw/zinc/44/74/32/586447432.db2.gz YCOHWHPUDPLVBL-WDEREUQCSA-N 1 2 228.311 1.636 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](F)C2)C1 ZINC000840105383 586447434 /nfs/dbraw/zinc/44/74/34/586447434.db2.gz YCOHWHPUDPLVBL-WDEREUQCSA-N 1 2 228.311 1.636 20 0 BDADLO CO[C@@H]1CC[N@H+](Cn2cc(Cl)cn2)C[C@@H]1C ZINC000840121906 586450382 /nfs/dbraw/zinc/45/03/82/586450382.db2.gz BWSLBZZPJYODKI-GXSJLCMTSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cn2cc(Cl)cn2)C[C@@H]1C ZINC000840121906 586450384 /nfs/dbraw/zinc/45/03/84/586450384.db2.gz BWSLBZZPJYODKI-GXSJLCMTSA-N 1 2 243.738 1.851 20 0 BDADLO Cc1cnc(COC(=O)[C@@H]2CCCC[N@H+]2C)nc1 ZINC000808519951 586477205 /nfs/dbraw/zinc/47/72/05/586477205.db2.gz HHGUOYSGYIXSFH-NSHDSACASA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cnc(COC(=O)[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000808519951 586477207 /nfs/dbraw/zinc/47/72/07/586477207.db2.gz HHGUOYSGYIXSFH-NSHDSACASA-N 1 2 249.314 1.313 20 0 BDADLO CC[N@H+](CCC(=O)C(C)C)CC(=O)OC ZINC000808717470 586483974 /nfs/dbraw/zinc/48/39/74/586483974.db2.gz JELPFJPLPGAONG-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO CC[N@@H+](CCC(=O)C(C)C)CC(=O)OC ZINC000808717470 586483975 /nfs/dbraw/zinc/48/39/75/586483975.db2.gz JELPFJPLPGAONG-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)C(C)C ZINC000808755685 586489040 /nfs/dbraw/zinc/48/90/40/586489040.db2.gz JUMCXOJLCZWQNF-SECBINFHSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)C(C)C ZINC000808755685 586489041 /nfs/dbraw/zinc/48/90/41/586489041.db2.gz JUMCXOJLCZWQNF-SECBINFHSA-N 1 2 215.293 1.095 20 0 BDADLO C[Si](C)(C)C[N@@H+]1CCOCC(F)(F)C1 ZINC000808785051 586490454 /nfs/dbraw/zinc/49/04/54/586490454.db2.gz ROOCRKUHLBNEHA-UHFFFAOYSA-N 1 2 223.339 1.831 20 0 BDADLO C[Si](C)(C)C[N@H+]1CCOCC(F)(F)C1 ZINC000808785051 586490455 /nfs/dbraw/zinc/49/04/55/586490455.db2.gz ROOCRKUHLBNEHA-UHFFFAOYSA-N 1 2 223.339 1.831 20 0 BDADLO C[N@H+](Cn1ccsc1=O)C1CC(C)(C)C1 ZINC000840163037 586500868 /nfs/dbraw/zinc/50/08/68/586500868.db2.gz DOMFZWIXWKAREB-UHFFFAOYSA-N 1 2 226.345 1.988 20 0 BDADLO C[N@@H+](Cn1ccsc1=O)C1CC(C)(C)C1 ZINC000840163037 586500869 /nfs/dbraw/zinc/50/08/69/586500869.db2.gz DOMFZWIXWKAREB-UHFFFAOYSA-N 1 2 226.345 1.988 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(F)nc1C ZINC000809743768 586516112 /nfs/dbraw/zinc/51/61/12/586516112.db2.gz DKCJUTZIRDNAFG-UHFFFAOYSA-N 1 2 236.250 1.510 20 0 BDADLO C[N@H+]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188757 586536531 /nfs/dbraw/zinc/53/65/31/586536531.db2.gz UOAGCALYLQGSDD-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810188757 586536526 /nfs/dbraw/zinc/53/65/26/586536526.db2.gz UOAGCALYLQGSDD-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810188757 586536528 /nfs/dbraw/zinc/53/65/28/586536528.db2.gz UOAGCALYLQGSDD-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188757 586536530 /nfs/dbraw/zinc/53/65/30/586536530.db2.gz UOAGCALYLQGSDD-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(F)CCCCC1 ZINC000810386163 586538708 /nfs/dbraw/zinc/53/87/08/586538708.db2.gz ONPVEAWINVVWTP-UHFFFAOYSA-N 1 2 225.267 1.698 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)nc1 ZINC000810754647 586546154 /nfs/dbraw/zinc/54/61/54/586546154.db2.gz CYMKZUFWUGBWJG-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)[C@H](F)C(=O)NCc1c[nH+]cn1C ZINC000810755161 586546288 /nfs/dbraw/zinc/54/62/88/586546288.db2.gz NBAIKMVWQCLDKB-VIFPVBQESA-N 1 2 213.256 1.030 20 0 BDADLO C[C@H](O)CSCc1cc[nH+]c(N(C)C)c1 ZINC000840212610 586548539 /nfs/dbraw/zinc/54/85/39/586548539.db2.gz YFYLHVILWPBBTM-VIFPVBQESA-N 1 2 226.345 1.762 20 0 BDADLO CC/C=C(/C)C(=O)NCc1c[nH+]cn1C ZINC000811589495 586561674 /nfs/dbraw/zinc/56/16/74/586561674.db2.gz XEMXXRVJWXGQEM-UITAMQMPSA-N 1 2 207.277 1.393 20 0 BDADLO C[C@H]1C[N@H+](Cn2ccsc2=O)CCC1(F)F ZINC000811780862 586566726 /nfs/dbraw/zinc/56/67/26/586566726.db2.gz RODHCLZHTQPEFC-QMMMGPOBSA-N 1 2 248.298 1.844 20 0 BDADLO C[C@H]1C[N@@H+](Cn2ccsc2=O)CCC1(F)F ZINC000811780862 586566727 /nfs/dbraw/zinc/56/67/27/586566727.db2.gz RODHCLZHTQPEFC-QMMMGPOBSA-N 1 2 248.298 1.844 20 0 BDADLO CC[N@H+](CN1CCSC1=O)[C@H]1CCOC1 ZINC000812296930 586572652 /nfs/dbraw/zinc/57/26/52/586572652.db2.gz SKPLDNYTNOEZIJ-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO CC[N@@H+](CN1CCSC1=O)[C@H]1CCOC1 ZINC000812296930 586572653 /nfs/dbraw/zinc/57/26/53/586572653.db2.gz SKPLDNYTNOEZIJ-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO CC[N@H+](C[C@H](C)OC)Cn1ncsc1=S ZINC000812301693 586573040 /nfs/dbraw/zinc/57/30/40/586573040.db2.gz KTYFISRBZKVQHU-QMMMGPOBSA-N 1 2 247.389 1.988 20 0 BDADLO CC[N@@H+](C[C@H](C)OC)Cn1ncsc1=S ZINC000812301693 586573041 /nfs/dbraw/zinc/57/30/41/586573041.db2.gz KTYFISRBZKVQHU-QMMMGPOBSA-N 1 2 247.389 1.988 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC(C)(C)C(F)F ZINC000812487201 586578146 /nfs/dbraw/zinc/57/81/46/586578146.db2.gz WMFULTGMLWIKLW-UHFFFAOYSA-N 1 2 246.261 1.263 20 0 BDADLO C[N@H+](Cc1ccco1)[C@@H]1CC(C)(C)OC1=O ZINC000814180977 586616080 /nfs/dbraw/zinc/61/60/80/586616080.db2.gz UFLYXOHFGVZGBG-SNVBAGLBSA-N 1 2 223.272 1.806 20 0 BDADLO C[N@@H+](Cc1ccco1)[C@@H]1CC(C)(C)OC1=O ZINC000814180977 586616081 /nfs/dbraw/zinc/61/60/81/586616081.db2.gz UFLYXOHFGVZGBG-SNVBAGLBSA-N 1 2 223.272 1.806 20 0 BDADLO C[C@]1(C(=O)NC2=[NH+]CCS2)C[C@H]2C[C@H]2C1 ZINC000814799744 586635476 /nfs/dbraw/zinc/63/54/76/586635476.db2.gz CYRWIJYQDMXUCQ-VROVMSAKSA-N 1 2 224.329 1.642 20 0 BDADLO CCc1ccc(C[N@H+](CC)CC(=O)NC)nc1 ZINC000815020722 586664518 /nfs/dbraw/zinc/66/45/18/586664518.db2.gz DIZRYWJJHJQROG-UHFFFAOYSA-N 1 2 235.331 1.212 20 0 BDADLO CCc1ccc(C[N@@H+](CC)CC(=O)NC)nc1 ZINC000815020722 586664520 /nfs/dbraw/zinc/66/45/20/586664520.db2.gz DIZRYWJJHJQROG-UHFFFAOYSA-N 1 2 235.331 1.212 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000815137830 586669398 /nfs/dbraw/zinc/66/93/98/586669398.db2.gz OBBIIHATOWWYFB-QMMMGPOBSA-N 1 2 248.290 1.155 20 0 BDADLO C[C@]1(C(=O)OCCn2cc[nH+]c2)C[C@H]2C[C@H]2C1 ZINC000815360780 586680655 /nfs/dbraw/zinc/68/06/55/586680655.db2.gz ANTSFLCROMZQIJ-PJXYFTJBSA-N 1 2 234.299 1.863 20 0 BDADLO CN(CCC[NH+](C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000815951347 586699539 /nfs/dbraw/zinc/69/95/39/586699539.db2.gz AZEWTLZCKSKPIJ-SSDOTTSWSA-N 1 2 244.232 1.297 20 0 BDADLO CN(CCC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000815951347 586699540 /nfs/dbraw/zinc/69/95/40/586699540.db2.gz AZEWTLZCKSKPIJ-SSDOTTSWSA-N 1 2 244.232 1.297 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C(F)F ZINC000816481332 586736204 /nfs/dbraw/zinc/73/62/04/586736204.db2.gz QZTYKXBBCNTEMU-UHFFFAOYSA-N 1 2 211.171 1.538 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C)c2Cl)CCCO1 ZINC000816502758 586737472 /nfs/dbraw/zinc/73/74/72/586737472.db2.gz OZIWYODTVUDUMQ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2Cl)CCCO1 ZINC000816502758 586737473 /nfs/dbraw/zinc/73/74/73/586737473.db2.gz OZIWYODTVUDUMQ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CCOC(=O)[C@@H](F)C1C[NH+](CC2(F)CC2)C1 ZINC000816634807 586746036 /nfs/dbraw/zinc/74/60/36/586746036.db2.gz SSSCYKNNNRTKJV-VIFPVBQESA-N 1 2 233.258 1.322 20 0 BDADLO C/C=C(\CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000816651501 586752847 /nfs/dbraw/zinc/75/28/47/586752847.db2.gz JCODRHKKIYTNAY-YCRREMRBSA-N 1 2 219.288 1.651 20 0 BDADLO C/C=C(\CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000816651501 586752848 /nfs/dbraw/zinc/75/28/48/586752848.db2.gz JCODRHKKIYTNAY-YCRREMRBSA-N 1 2 219.288 1.651 20 0 BDADLO C[C@@H](NC(=O)C(C)(Cl)Cl)c1[nH]cc[nH+]1 ZINC000816719322 586759876 /nfs/dbraw/zinc/75/98/76/586759876.db2.gz WGDHKRPFMMNQKN-RXMQYKEDSA-N 1 2 236.102 1.781 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000859824847 589063997 /nfs/dbraw/zinc/06/39/97/589063997.db2.gz FNWUSJASFCULEJ-DGORSVRFSA-N 1 2 243.347 1.730 20 0 BDADLO Cc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816846034 586768289 /nfs/dbraw/zinc/76/82/89/586768289.db2.gz MCFJCEALZIANJF-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO CCc1ccc(O)c(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816941728 586772352 /nfs/dbraw/zinc/77/23/52/586772352.db2.gz PHYGHGLITXGEFU-UHFFFAOYSA-N 1 2 245.282 1.859 20 0 BDADLO CCC[C@H](OCC)C(=O)OCCn1cc[nH+]c1 ZINC000859839472 589065255 /nfs/dbraw/zinc/06/52/55/589065255.db2.gz FGIDOQKAWYQAPP-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000817231419 586787517 /nfs/dbraw/zinc/78/75/17/586787517.db2.gz SQDSVUKSPYOTEF-VIFPVBQESA-N 1 2 206.245 1.226 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC12CC2 ZINC000817233229 586788353 /nfs/dbraw/zinc/78/83/53/586788353.db2.gz PTJXFZWTCPPMJR-WDEREUQCSA-N 1 2 239.315 1.050 20 0 BDADLO CN(C)c1cc(COC(=O)[C@@H]2CC23CC3)cc[nH+]1 ZINC000817233688 586788398 /nfs/dbraw/zinc/78/83/98/586788398.db2.gz USEKKMHPKGBPCP-NSHDSACASA-N 1 2 246.310 1.991 20 0 BDADLO CCn1nc(C)c(CNCc2c[nH+]cn2CC)n1 ZINC000818223257 586879632 /nfs/dbraw/zinc/87/96/32/586879632.db2.gz SUFDCQLMQZVFSK-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2c(C)noc2C)n1 ZINC000818219645 586880090 /nfs/dbraw/zinc/88/00/90/586880090.db2.gz BYZSCHCPNDBMDR-UHFFFAOYSA-N 1 2 249.318 1.501 20 0 BDADLO CCNC(=S)NCCc1cn2ccccc2[nH+]1 ZINC000818264064 586882709 /nfs/dbraw/zinc/88/27/09/586882709.db2.gz NZKPRGKSJWWBRK-UHFFFAOYSA-N 1 2 248.355 1.361 20 0 BDADLO Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000819012358 586923616 /nfs/dbraw/zinc/92/36/16/586923616.db2.gz JZVXDNQIPXJLGC-LLVKDONJSA-N 1 2 237.303 1.131 20 0 BDADLO Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000819012358 586923621 /nfs/dbraw/zinc/92/36/21/586923621.db2.gz JZVXDNQIPXJLGC-LLVKDONJSA-N 1 2 237.303 1.131 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCCO2)cc[nH+]1 ZINC000819274679 586946570 /nfs/dbraw/zinc/94/65/70/586946570.db2.gz JIXVCPVXNMKPQU-ITKZLYELSA-N 1 2 232.283 1.486 20 0 BDADLO COC[C@H](O)CNc1ccc([NH+](C)C)cc1C ZINC000819410222 586961807 /nfs/dbraw/zinc/96/18/07/586961807.db2.gz YSQMORKOIJANII-GFCCVEGCSA-N 1 2 238.331 1.480 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)C(F)=C1CCC1 ZINC000819544968 586976043 /nfs/dbraw/zinc/97/60/43/586976043.db2.gz XBBSUNONQZNCBY-VIFPVBQESA-N 1 2 235.262 1.852 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(F)=C1CCC1 ZINC000819555746 586977219 /nfs/dbraw/zinc/97/72/19/586977219.db2.gz DRSMRTFSSNUVHK-UHFFFAOYSA-N 1 2 237.278 1.927 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2ccns2)[nH]1 ZINC000860062520 589078433 /nfs/dbraw/zinc/07/84/33/589078433.db2.gz XJRZHQOSNIQJQT-ZCFIWIBFSA-N 1 2 223.305 1.420 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)C2CCCC2)S1 ZINC000819759461 586990375 /nfs/dbraw/zinc/99/03/75/586990375.db2.gz HUPJQSWYJUAHJD-SSDOTTSWSA-N 1 2 212.318 1.784 20 0 BDADLO CSC[C@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775273 586992178 /nfs/dbraw/zinc/99/21/78/586992178.db2.gz YGHIBCUOMTUCER-NKWVEPMBSA-N 1 2 232.374 1.593 20 0 BDADLO C[C@@H](C(=O)[O-])[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000819896071 587001473 /nfs/dbraw/zinc/00/14/73/587001473.db2.gz RYCCLTOJRBIXKW-JTQLQIEISA-N 1 2 249.314 1.431 20 0 BDADLO CCc1cc(NCc2nn(CC)nc2C)nc[nH+]1 ZINC000819938246 587003850 /nfs/dbraw/zinc/00/38/50/587003850.db2.gz DUCVEGGQWQVORN-UHFFFAOYSA-N 1 2 246.318 1.571 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000820085242 587020182 /nfs/dbraw/zinc/02/01/82/587020182.db2.gz RYQNHFAOQVSVSU-WDEREUQCSA-N 1 2 228.336 1.314 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000820085242 587020185 /nfs/dbraw/zinc/02/01/85/587020185.db2.gz RYQNHFAOQVSVSU-WDEREUQCSA-N 1 2 228.336 1.314 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000820085929 587021002 /nfs/dbraw/zinc/02/10/02/587021002.db2.gz ZHFWOWJIVOBKOF-SNVBAGLBSA-N 1 2 247.298 1.330 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1[nH]cc[nH+]1 ZINC000820191814 587033605 /nfs/dbraw/zinc/03/36/05/587033605.db2.gz QMAZSJQXENBURP-UUFBCVLASA-N 1 2 247.298 1.010 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820222580 587036230 /nfs/dbraw/zinc/03/62/30/587036230.db2.gz SRLWLOMVNIPUIM-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820222580 587036231 /nfs/dbraw/zinc/03/62/31/587036231.db2.gz SRLWLOMVNIPUIM-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820348329 587044589 /nfs/dbraw/zinc/04/45/89/587044589.db2.gz QYCLYBDEFFBBDG-QWRGUYRKSA-N 1 2 228.336 1.314 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(=O)[O-] ZINC000820348329 587044590 /nfs/dbraw/zinc/04/45/90/587044590.db2.gz QYCLYBDEFFBBDG-QWRGUYRKSA-N 1 2 228.336 1.314 20 0 BDADLO CCN(CC(C)=O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000820423524 587047914 /nfs/dbraw/zinc/04/79/14/587047914.db2.gz GLNSDHHMMQFVLB-UHFFFAOYSA-N 1 2 245.282 1.385 20 0 BDADLO CC(C)c1nccc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000820581583 587056523 /nfs/dbraw/zinc/05/65/23/587056523.db2.gz XFIQHIZOSIQPDV-UHFFFAOYSA-N 1 2 243.314 1.886 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cnn(C)c2)on1 ZINC000820808046 587073246 /nfs/dbraw/zinc/07/32/46/587073246.db2.gz WHDPOFIIRDFQLU-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821036601 587090171 /nfs/dbraw/zinc/09/01/71/587090171.db2.gz KNSNYQVMENSQLS-IVZWLZJFSA-N 1 2 237.303 1.702 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821036601 587090174 /nfs/dbraw/zinc/09/01/74/587090174.db2.gz KNSNYQVMENSQLS-IVZWLZJFSA-N 1 2 237.303 1.702 20 0 BDADLO CCC1(NC(=O)/C=C\c2cn(C)c[nH+]2)CC1 ZINC000821105278 587095890 /nfs/dbraw/zinc/09/58/90/587095890.db2.gz IMVZQJSNEJLDTP-PLNGDYQASA-N 1 2 219.288 1.492 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H]2C2CC2)c1 ZINC000821149064 587099188 /nfs/dbraw/zinc/09/91/88/587099188.db2.gz GHAVTGPEKCLOKE-ZYOFXKKJSA-N 1 2 231.299 1.444 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)ncn1 ZINC000821221560 587102536 /nfs/dbraw/zinc/10/25/36/587102536.db2.gz VKXQBGYAUHUJPD-LBPRGKRZSA-N 1 2 243.314 1.675 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)ncn1 ZINC000821221560 587102537 /nfs/dbraw/zinc/10/25/37/587102537.db2.gz VKXQBGYAUHUJPD-LBPRGKRZSA-N 1 2 243.314 1.675 20 0 BDADLO CCCCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000821385771 587115709 /nfs/dbraw/zinc/11/57/09/587115709.db2.gz OFZSFIHPQUIBCL-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000821509749 587123647 /nfs/dbraw/zinc/12/36/47/587123647.db2.gz UXIFMFGGLORBID-NSHDSACASA-N 1 2 245.282 1.383 20 0 BDADLO O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000821509749 587123648 /nfs/dbraw/zinc/12/36/48/587123648.db2.gz UXIFMFGGLORBID-NSHDSACASA-N 1 2 245.282 1.383 20 0 BDADLO CC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)O ZINC000821555446 587128033 /nfs/dbraw/zinc/12/80/33/587128033.db2.gz AQARHYXNANZHNL-WPRPVWTQSA-N 1 2 247.298 1.452 20 0 BDADLO CCCC[C@](C)(F)C(=O)NCCn1cc[nH+]c1 ZINC000821931595 587147202 /nfs/dbraw/zinc/14/72/02/587147202.db2.gz UKCKVYDNTJBSBU-LBPRGKRZSA-N 1 2 241.310 1.918 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]2C[C@H]21 ZINC000822857598 587189940 /nfs/dbraw/zinc/18/99/40/587189940.db2.gz SDSNMXMUMIOLMS-BTQIBKBOSA-N 1 2 231.299 1.524 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2C[C@H]21 ZINC000822857598 587189942 /nfs/dbraw/zinc/18/99/42/587189942.db2.gz SDSNMXMUMIOLMS-BTQIBKBOSA-N 1 2 231.299 1.524 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)/C=C\c2cn(C)c[nH+]2)C[C@H]1C ZINC000822944117 587194887 /nfs/dbraw/zinc/19/48/87/587194887.db2.gz OQOWTYQBEKKRKA-WBIMAMMNSA-N 1 2 247.342 1.936 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1cnn(C)n1 ZINC000823836100 587241360 /nfs/dbraw/zinc/24/13/60/587241360.db2.gz CJQLLDKMZZUHON-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO CCOCC[N@H+](C)Cc1nn(CC)nc1C ZINC000824125167 587257370 /nfs/dbraw/zinc/25/73/70/587257370.db2.gz GDBXQWAPJBWXMN-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO CCOCC[N@@H+](C)Cc1nn(CC)nc1C ZINC000824125167 587257371 /nfs/dbraw/zinc/25/73/71/587257371.db2.gz GDBXQWAPJBWXMN-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO CN(CCc1ccccn1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824228247 587261272 /nfs/dbraw/zinc/26/12/72/587261272.db2.gz MHMKVNJYCHORIR-UHFFFAOYSA-N 1 2 244.298 1.048 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)[C@H]2CCOC2)n1 ZINC000824422852 587269914 /nfs/dbraw/zinc/26/99/14/587269914.db2.gz GHUSIIKYWBPSOB-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)[C@H]2CCOC2)n1 ZINC000824422852 587269915 /nfs/dbraw/zinc/26/99/15/587269915.db2.gz GHUSIIKYWBPSOB-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO O=Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)co1 ZINC000825512361 587322880 /nfs/dbraw/zinc/32/28/80/587322880.db2.gz CEIQWMQRUUBPNF-JTQLQIEISA-N 1 2 245.238 1.163 20 0 BDADLO CC(C)n1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000825584254 587326027 /nfs/dbraw/zinc/32/60/27/587326027.db2.gz CLFMNBWUVLQAGA-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO C/C(=C/C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)[O-] ZINC000825736174 587334985 /nfs/dbraw/zinc/33/49/85/587334985.db2.gz VXVVWHMOWDSOFK-SGAXSIHGSA-N 1 2 249.314 1.620 20 0 BDADLO CSC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000826011221 587348405 /nfs/dbraw/zinc/34/84/05/587348405.db2.gz BNODSAGPHFTSIN-UHFFFAOYSA-N 1 2 227.333 1.178 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000826064909 587350090 /nfs/dbraw/zinc/35/00/90/587350090.db2.gz RDGOCHZQSLUVLU-NXEZZACHSA-N 1 2 221.304 1.742 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826312085 587352026 /nfs/dbraw/zinc/35/20/26/587352026.db2.gz VQPKRKVMUMRDAY-YUMQZZPRSA-N 1 2 230.275 1.390 20 0 BDADLO Cc1cc[nH+]c(N(C)CC2CC2)c1-c1nn[nH]n1 ZINC000826309265 587352408 /nfs/dbraw/zinc/35/24/08/587352408.db2.gz JNYFUHJOTXXXNO-UHFFFAOYSA-N 1 2 244.302 1.416 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cc(F)ncc1F ZINC000826769371 587361555 /nfs/dbraw/zinc/36/15/55/587361555.db2.gz KPQWIEFYISXKQV-UHFFFAOYSA-N 1 2 238.241 1.715 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cc(F)ncc1F ZINC000826769371 587361556 /nfs/dbraw/zinc/36/15/56/587361556.db2.gz KPQWIEFYISXKQV-UHFFFAOYSA-N 1 2 238.241 1.715 20 0 BDADLO OC/C=C\C[NH2+]Cc1c(F)ccc(O)c1F ZINC000826941871 587366356 /nfs/dbraw/zinc/36/63/56/587366356.db2.gz LOKKGYQJUDDINB-UPHRSURJSA-N 1 2 229.226 1.309 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(F)nc1C ZINC000827053970 587369299 /nfs/dbraw/zinc/36/92/99/587369299.db2.gz JUQYLBKWGXENOS-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(F)nc1C ZINC000827053970 587369300 /nfs/dbraw/zinc/36/93/00/587369300.db2.gz JUQYLBKWGXENOS-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn(C)nn2)c(C)o1 ZINC000827305150 587376242 /nfs/dbraw/zinc/37/62/42/587376242.db2.gz OANYGIGBCXDKHT-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn(C)nn2)c(C)o1 ZINC000827305150 587376243 /nfs/dbraw/zinc/37/62/43/587376243.db2.gz OANYGIGBCXDKHT-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000827431694 587380819 /nfs/dbraw/zinc/38/08/19/587380819.db2.gz SFIAJAVAHLCUFV-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO CCC(F)(F)C(=O)NCCCCn1cc[nH+]c1 ZINC000827544629 587385479 /nfs/dbraw/zinc/38/54/79/587385479.db2.gz HAGSSIUXFQHJHW-UHFFFAOYSA-N 1 2 245.273 1.825 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(F)ccc(O)c1F ZINC000827714330 587398788 /nfs/dbraw/zinc/39/87/88/587398788.db2.gz BOFRFZCXNXGCJU-PWSUYJOCSA-N 1 2 243.253 1.937 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)CC(C)C ZINC000827876902 587407181 /nfs/dbraw/zinc/40/71/81/587407181.db2.gz LWVJJWXZFNKYSJ-LBPRGKRZSA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)CC(C)C ZINC000827876902 587407183 /nfs/dbraw/zinc/40/71/83/587407183.db2.gz LWVJJWXZFNKYSJ-LBPRGKRZSA-N 1 2 241.331 1.629 20 0 BDADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C=O)c1 ZINC000827977496 587414590 /nfs/dbraw/zinc/41/45/90/587414590.db2.gz LMUNHRDKTDBQTM-PHIMTYICSA-N 1 2 248.282 1.011 20 0 BDADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C=O)c1 ZINC000827977496 587414591 /nfs/dbraw/zinc/41/45/91/587414591.db2.gz LMUNHRDKTDBQTM-PHIMTYICSA-N 1 2 248.282 1.011 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)CC1=CCCC1 ZINC000828099262 587419377 /nfs/dbraw/zinc/41/93/77/587419377.db2.gz QYLOUWCDVPZOFN-UHFFFAOYSA-N 1 2 231.361 1.463 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)CC1=CCCC1 ZINC000828099262 587419379 /nfs/dbraw/zinc/41/93/79/587419379.db2.gz QYLOUWCDVPZOFN-UHFFFAOYSA-N 1 2 231.361 1.463 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000828409084 587440538 /nfs/dbraw/zinc/44/05/38/587440538.db2.gz ZEAJLSKLSJVGKM-AAEUAGOBSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000828409084 587440539 /nfs/dbraw/zinc/44/05/39/587440539.db2.gz ZEAJLSKLSJVGKM-AAEUAGOBSA-N 1 2 243.347 1.073 20 0 BDADLO CC[C@H](NC(=O)CSC(F)F)c1[nH]cc[nH+]1 ZINC000828693147 587457497 /nfs/dbraw/zinc/45/74/97/587457497.db2.gz OMWBNDHLLOLTLU-LURJTMIESA-N 1 2 249.286 1.933 20 0 BDADLO CCc1nocc1C(=O)OCCCn1cc[nH+]c1 ZINC000860435165 589100533 /nfs/dbraw/zinc/10/05/33/589100533.db2.gz TZHNMKLGVDDEFE-UHFFFAOYSA-N 1 2 249.270 1.681 20 0 BDADLO CSC(C)(C)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000828773168 587461032 /nfs/dbraw/zinc/46/10/32/587461032.db2.gz BRQWHUSFQNBZJM-VIFPVBQESA-N 1 2 230.377 1.291 20 0 BDADLO CSC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000828773168 587461034 /nfs/dbraw/zinc/46/10/34/587461034.db2.gz BRQWHUSFQNBZJM-VIFPVBQESA-N 1 2 230.377 1.291 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829162245 587485402 /nfs/dbraw/zinc/48/54/02/587485402.db2.gz GFQVHLQRWGNZLG-QMMMGPOBSA-N 1 2 241.722 1.117 20 0 BDADLO C[C@H](CO)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829162245 587485403 /nfs/dbraw/zinc/48/54/03/587485403.db2.gz GFQVHLQRWGNZLG-QMMMGPOBSA-N 1 2 241.722 1.117 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829176695 587486878 /nfs/dbraw/zinc/48/68/78/587486878.db2.gz WXWHBESHTPGIRB-MRVPVSSYSA-N 1 2 241.722 1.259 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829176695 587486879 /nfs/dbraw/zinc/48/68/79/587486879.db2.gz WXWHBESHTPGIRB-MRVPVSSYSA-N 1 2 241.722 1.259 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)CC[S@](C)=O)c1 ZINC000829275110 587490768 /nfs/dbraw/zinc/49/07/68/587490768.db2.gz KTQPYHWFNYEQOJ-INIZCTEOSA-N 1 2 243.347 1.944 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)CC[S@](C)=O)c1 ZINC000829275110 587490769 /nfs/dbraw/zinc/49/07/69/587490769.db2.gz KTQPYHWFNYEQOJ-INIZCTEOSA-N 1 2 243.347 1.944 20 0 BDADLO CO[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000829414978 587496642 /nfs/dbraw/zinc/49/66/42/587496642.db2.gz IDEIKUJLONHXHD-VIFPVBQESA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000829414977 587496823 /nfs/dbraw/zinc/49/68/23/587496823.db2.gz IDEIKUJLONHXHD-SECBINFHSA-N 1 2 239.319 1.130 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)[C@H]3CC3(C)C)cc2C1 ZINC000829434784 587497129 /nfs/dbraw/zinc/49/71/29/587497129.db2.gz JDOZTXFUHJWQGQ-SNVBAGLBSA-N 1 2 248.330 1.313 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)[C@H]3CC3(C)C)cc2C1 ZINC000829434784 587497131 /nfs/dbraw/zinc/49/71/31/587497131.db2.gz JDOZTXFUHJWQGQ-SNVBAGLBSA-N 1 2 248.330 1.313 20 0 BDADLO CC/C=C(/C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829452043 587498285 /nfs/dbraw/zinc/49/82/85/587498285.db2.gz VJDNHBHMTFDNAT-YHYXMXQVSA-N 1 2 248.330 1.623 20 0 BDADLO CC/C=C(/C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829452043 587498286 /nfs/dbraw/zinc/49/82/86/587498286.db2.gz VJDNHBHMTFDNAT-YHYXMXQVSA-N 1 2 248.330 1.623 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000829506264 587500986 /nfs/dbraw/zinc/50/09/86/587500986.db2.gz QFYLTNMJWJEGNU-SNVBAGLBSA-N 1 2 235.274 1.712 20 0 BDADLO CCC(=O)CCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000829506264 587500987 /nfs/dbraw/zinc/50/09/87/587500987.db2.gz QFYLTNMJWJEGNU-SNVBAGLBSA-N 1 2 235.274 1.712 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)OC1CCC1 ZINC000829621912 587506449 /nfs/dbraw/zinc/50/64/49/587506449.db2.gz COPABFLTNAYOPF-UHFFFAOYSA-N 1 2 223.276 1.552 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(C(F)F)CC1 ZINC000830033480 587533045 /nfs/dbraw/zinc/53/30/45/587533045.db2.gz IQRDGBUAYAUEQF-UHFFFAOYSA-N 1 2 244.241 1.551 20 0 BDADLO CN(C)c1cc(C[N@H+](C2CC2)C2COC2)ccn1 ZINC000830235413 587543111 /nfs/dbraw/zinc/54/31/11/587543111.db2.gz HKPUZCBTHSRXKW-UHFFFAOYSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1cc(C[N@@H+](C2CC2)C2COC2)ccn1 ZINC000830235413 587543112 /nfs/dbraw/zinc/54/31/12/587543112.db2.gz HKPUZCBTHSRXKW-UHFFFAOYSA-N 1 2 247.342 1.511 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000830662103 587562831 /nfs/dbraw/zinc/56/28/31/587562831.db2.gz IORKRDVTZHBIIK-SSDOTTSWSA-N 1 2 243.257 1.429 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000830662103 587562832 /nfs/dbraw/zinc/56/28/32/587562832.db2.gz IORKRDVTZHBIIK-SSDOTTSWSA-N 1 2 243.257 1.429 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)CCSC)n1 ZINC000830999511 587581629 /nfs/dbraw/zinc/58/16/29/587581629.db2.gz MYZTUZPOFRXLRA-UHFFFAOYSA-N 1 2 242.392 1.791 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)CCSC)n1 ZINC000830999511 587581630 /nfs/dbraw/zinc/58/16/30/587581630.db2.gz MYZTUZPOFRXLRA-UHFFFAOYSA-N 1 2 242.392 1.791 20 0 BDADLO CO[C@H]1C[C@@H]([NH2+]CC(=O)OCC(C)C)C1(C)C ZINC000831337936 587598718 /nfs/dbraw/zinc/59/87/18/587598718.db2.gz CEFDITKPMHOWIK-MNOVXSKESA-N 1 2 243.347 1.589 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000831331842 587599253 /nfs/dbraw/zinc/59/92/53/587599253.db2.gz ARRWVBDUMDUVQZ-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC000831359118 587600787 /nfs/dbraw/zinc/60/07/87/587600787.db2.gz RCIYEECBQJBBTB-WDEREUQCSA-N 1 2 238.335 1.486 20 0 BDADLO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC000831359118 587600789 /nfs/dbraw/zinc/60/07/89/587600789.db2.gz RCIYEECBQJBBTB-WDEREUQCSA-N 1 2 238.335 1.486 20 0 BDADLO CCON(CC)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000831450863 587608106 /nfs/dbraw/zinc/60/81/06/587608106.db2.gz GCLMQUNDZTVGBX-UHFFFAOYSA-N 1 2 225.292 1.315 20 0 BDADLO CCC(=O)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831453990 587608825 /nfs/dbraw/zinc/60/88/25/587608825.db2.gz MDLLWLPMISWHLF-SNVBAGLBSA-N 1 2 249.314 1.312 20 0 BDADLO CC1(C)CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000831555253 587619201 /nfs/dbraw/zinc/61/92/01/587619201.db2.gz LEULBVDRRBHOCK-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000831739058 587629691 /nfs/dbraw/zinc/62/96/91/587629691.db2.gz PZBQOUPNDWHDRC-GHMZBOCLSA-N 1 2 248.330 1.769 20 0 BDADLO C[C@@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000831739059 587629846 /nfs/dbraw/zinc/62/98/46/587629846.db2.gz PZBQOUPNDWHDRC-MNOVXSKESA-N 1 2 248.330 1.769 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CCCCO1 ZINC000831913316 587636124 /nfs/dbraw/zinc/63/61/24/587636124.db2.gz NZNKFMHQDPBJSH-JTQLQIEISA-N 1 2 237.303 1.028 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC12CCC(CC1)C2 ZINC000832059149 587644338 /nfs/dbraw/zinc/64/43/38/587644338.db2.gz RAKLHXVJZZMNRI-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CCF ZINC000832130497 587645704 /nfs/dbraw/zinc/64/57/04/587645704.db2.gz YWYYAZWMERROOM-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CCF ZINC000832130497 587645705 /nfs/dbraw/zinc/64/57/05/587645705.db2.gz YWYYAZWMERROOM-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000832146676 587646604 /nfs/dbraw/zinc/64/66/04/587646604.db2.gz BKXNVBLBBYLBQU-MXWKQRLJSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H]1CCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832380698 587657058 /nfs/dbraw/zinc/65/70/58/587657058.db2.gz VBHYKHIAJKFRPM-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO CCC(F)(F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000832517865 587664539 /nfs/dbraw/zinc/66/45/39/587664539.db2.gz QXNUJOFLTXRJIZ-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)c[nH+]1 ZINC000834401387 587754613 /nfs/dbraw/zinc/75/46/13/587754613.db2.gz IHQHSUYKMFPMNM-JBLDHEPKSA-N 1 2 249.314 1.406 20 0 BDADLO CCc1cccc(C(=O)OCc2c[nH+]cn2C)n1 ZINC000835194786 587788252 /nfs/dbraw/zinc/78/82/52/587788252.db2.gz MYCZBMJLRHVLEO-UHFFFAOYSA-N 1 2 245.282 1.735 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC1(F)F ZINC000835195957 587788436 /nfs/dbraw/zinc/78/84/36/587788436.db2.gz VHBQKVRUNSEVQE-ZETCQYMHSA-N 1 2 216.187 1.119 20 0 BDADLO CCC[C@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000835349818 587798016 /nfs/dbraw/zinc/79/80/16/587798016.db2.gz LJSXXVUQCIGDSS-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO CCCCCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836197727 587828142 /nfs/dbraw/zinc/82/81/42/587828142.db2.gz WSMTVQFMEFBNGL-SNVBAGLBSA-N 1 2 236.319 1.817 20 0 BDADLO CCC1(CNC(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000836338525 587831051 /nfs/dbraw/zinc/83/10/51/587831051.db2.gz CLXRYXIXUGTVFZ-JTQLQIEISA-N 1 2 248.330 1.817 20 0 BDADLO Cc1nocc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000867180034 587835094 /nfs/dbraw/zinc/83/50/94/587835094.db2.gz RWGQOVPIZBCGGM-JTQLQIEISA-N 1 2 246.270 1.683 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C(=O)C(C)(C)C)c2[nH+]ccn21 ZINC000836952566 587843607 /nfs/dbraw/zinc/84/36/07/587843607.db2.gz BOGBBDKINDVCTF-BDAKNGLRSA-N 1 2 249.314 1.620 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C(=O)C(C)(C)C)c2[nH+]ccn21 ZINC000836952570 587843783 /nfs/dbraw/zinc/84/37/83/587843783.db2.gz BOGBBDKINDVCTF-RKDXNWHRSA-N 1 2 249.314 1.620 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)NC1CCCCC1 ZINC000837313891 587865344 /nfs/dbraw/zinc/86/53/44/587865344.db2.gz RBHKATGVIGQMKN-NSHDSACASA-N 1 2 248.330 1.960 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCCS1 ZINC000837555687 587881750 /nfs/dbraw/zinc/88/17/50/587881750.db2.gz NQGUGEUGNXYNMT-JTQLQIEISA-N 1 2 240.328 1.401 20 0 BDADLO CCC/C=C\C(=O)NCCc1cn(C)c[nH+]1 ZINC000837716667 587892417 /nfs/dbraw/zinc/89/24/17/587892417.db2.gz ZJRURCQVFODMBR-WAYWQWQTSA-N 1 2 221.304 1.435 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000837977856 587906805 /nfs/dbraw/zinc/90/68/05/587906805.db2.gz BAPZEYYBFYIDNX-MRVPVSSYSA-N 1 2 230.214 1.472 20 0 BDADLO CCO/C=C/C(=O)OCCCn1cc[nH+]c1 ZINC000840589866 587913211 /nfs/dbraw/zinc/91/32/11/587913211.db2.gz QNZPXXIEGYOEKO-RUDMXATFSA-N 1 2 224.260 1.367 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccoc1C ZINC000840911021 587929191 /nfs/dbraw/zinc/92/91/91/587929191.db2.gz UGDPPWOUQOQVHJ-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccoc1C ZINC000840911021 587929192 /nfs/dbraw/zinc/92/91/92/587929192.db2.gz UGDPPWOUQOQVHJ-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCc2sccc2C1 ZINC000104052613 587929704 /nfs/dbraw/zinc/92/97/04/587929704.db2.gz ARMYEQVSTDGIRH-UHFFFAOYSA-N 1 2 236.340 1.686 20 0 BDADLO O=C1CCCN1C[N@H+]1CCc2sccc2C1 ZINC000104052613 587929705 /nfs/dbraw/zinc/92/97/05/587929705.db2.gz ARMYEQVSTDGIRH-UHFFFAOYSA-N 1 2 236.340 1.686 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]C[C@H]1CCC=CO1 ZINC000840957235 587931932 /nfs/dbraw/zinc/93/19/32/587931932.db2.gz KDZMNESFMYYCOA-NEPJUHHUSA-N 1 2 239.315 1.610 20 0 BDADLO COC1(CCO[NH+]=C(N)COC(C)C)CCC1 ZINC000842025726 587987619 /nfs/dbraw/zinc/98/76/19/587987619.db2.gz RHNNODRXJUSIFN-UHFFFAOYSA-N 1 2 244.335 1.869 20 0 BDADLO CCn1nncc1CO[NH+]=C(N)c1ccccc1 ZINC000842013632 587988930 /nfs/dbraw/zinc/98/89/30/587988930.db2.gz QBJNWNSYTVZOGQ-UHFFFAOYSA-N 1 2 245.286 1.345 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)CC(C)C ZINC000842035867 587992005 /nfs/dbraw/zinc/99/20/05/587992005.db2.gz FPPLJPBFSKCNLF-IUCAKERBSA-N 1 2 202.298 1.954 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000842046474 587992424 /nfs/dbraw/zinc/99/24/24/587992424.db2.gz JHBVNKJHYPHIFR-SECBINFHSA-N 1 2 240.278 1.638 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)OC ZINC000842047446 587992740 /nfs/dbraw/zinc/99/27/40/587992740.db2.gz NWVWEKWYLBBXEQ-DTWKUNHWSA-N 1 2 216.281 1.089 20 0 BDADLO CC[C@H](COC(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC000842080495 587996803 /nfs/dbraw/zinc/99/68/03/587996803.db2.gz PVYSFUHOASASIT-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H](COC(=O)[C@H]1CCCC[N@H+]1C)OC ZINC000842080495 587996804 /nfs/dbraw/zinc/99/68/04/587996804.db2.gz PVYSFUHOASASIT-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1ccc(C(=O)OCc2c[nH+]cn2C)nc1C ZINC000842314236 588016342 /nfs/dbraw/zinc/01/63/42/588016342.db2.gz VOIZUUDPYZUMSG-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO CCC[C@@H](C)c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000842490365 588030386 /nfs/dbraw/zinc/03/03/86/588030386.db2.gz LWYSOGUSEYHHRR-ZJUUUORDSA-N 1 2 239.319 1.976 20 0 BDADLO CCC[C@@H](C)c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000842490365 588030388 /nfs/dbraw/zinc/03/03/88/588030388.db2.gz LWYSOGUSEYHHRR-ZJUUUORDSA-N 1 2 239.319 1.976 20 0 BDADLO CC(C)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842657996 588049868 /nfs/dbraw/zinc/04/98/68/588049868.db2.gz VQNAEQSUQCOYEZ-SNVBAGLBSA-N 1 2 230.308 1.336 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842891194 588070835 /nfs/dbraw/zinc/07/08/35/588070835.db2.gz PLTCHLNVYZRRMB-PWSUYJOCSA-N 1 2 246.310 1.717 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)CCO)C(=O)OC(C)(C)C ZINC000842926339 588072037 /nfs/dbraw/zinc/07/20/37/588072037.db2.gz WSZMGNAFWQARHR-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO CC[NH2+]Cc1noc(COc2ccc(O)cc2)n1 ZINC000843141213 588085907 /nfs/dbraw/zinc/08/59/07/588085907.db2.gz KQGJTVGGZUUOCF-UHFFFAOYSA-N 1 2 249.270 1.464 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C2(F)CC2)n1 ZINC000843604574 588129232 /nfs/dbraw/zinc/12/92/32/588129232.db2.gz OSRQWWWLQCSMCK-UHFFFAOYSA-N 1 2 243.307 1.645 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)C3(F)CC3)cn21 ZINC000843793818 588140892 /nfs/dbraw/zinc/14/08/92/588140892.db2.gz DONBOBSUEUAXTJ-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO CCC/C(C)=C\C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883453 588147223 /nfs/dbraw/zinc/14/72/23/588147223.db2.gz HYAINDPLEBKKRZ-TWGQIWQCSA-N 1 2 248.330 1.730 20 0 BDADLO Cc1nc(N)c(CNC(=O)C=C2CCCC2)c[nH+]1 ZINC000843883223 588147324 /nfs/dbraw/zinc/14/73/24/588147324.db2.gz DPZMMQDXKIIFAX-UHFFFAOYSA-N 1 2 246.314 1.484 20 0 BDADLO CCON(C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000844075385 588160299 /nfs/dbraw/zinc/16/02/99/588160299.db2.gz NFRWDNOEMBQEOI-UHFFFAOYSA-N 1 2 225.292 1.531 20 0 BDADLO CCON(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000844075385 588160301 /nfs/dbraw/zinc/16/03/01/588160301.db2.gz NFRWDNOEMBQEOI-UHFFFAOYSA-N 1 2 225.292 1.531 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000844405823 588190569 /nfs/dbraw/zinc/19/05/69/588190569.db2.gz VXNPXYJIOKWNNT-VXGBXAGGSA-N 1 2 243.347 1.877 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844451511 588195395 /nfs/dbraw/zinc/19/53/95/588195395.db2.gz KAPPUYIVGAPVFK-PRJMDXOYSA-N 1 2 243.257 1.890 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844451511 588195397 /nfs/dbraw/zinc/19/53/97/588195397.db2.gz KAPPUYIVGAPVFK-PRJMDXOYSA-N 1 2 243.257 1.890 20 0 BDADLO C[C@@H](CC(=O)Nc1cnsn1)n1cc[nH+]c1 ZINC000844529871 588200820 /nfs/dbraw/zinc/20/08/20/588200820.db2.gz XGRGKWFFNQJITJ-ZETCQYMHSA-N 1 2 237.288 1.324 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000844537989 588201391 /nfs/dbraw/zinc/20/13/91/588201391.db2.gz TUYUXWIRKVVZOC-QWHCGFSZSA-N 1 2 247.342 1.863 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000844537964 588201426 /nfs/dbraw/zinc/20/14/26/588201426.db2.gz RZCYDGXKKZXPFB-NTZNESFSSA-N 1 2 245.326 1.639 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@H](C)C2=O)[C@@H](C)CO1 ZINC000844727187 588215166 /nfs/dbraw/zinc/21/51/66/588215166.db2.gz DNTLWPJBQBWFHW-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@H](C)C2=O)[C@@H](C)CO1 ZINC000844727187 588215167 /nfs/dbraw/zinc/21/51/67/588215167.db2.gz DNTLWPJBQBWFHW-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO O=C(NC1CC=CC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000845226342 588224397 /nfs/dbraw/zinc/22/43/97/588224397.db2.gz OWTDUIWKZDUXGD-SNVBAGLBSA-N 1 2 232.287 1.346 20 0 BDADLO COC/C(C)=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000845239687 588224516 /nfs/dbraw/zinc/22/45/16/588224516.db2.gz CHSCMJUMEDXBNY-UITAMQMPSA-N 1 2 236.271 1.300 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845281251 588225562 /nfs/dbraw/zinc/22/55/62/588225562.db2.gz JLJXMMIKNJHJGK-ZJUUUORDSA-N 1 2 238.287 1.745 20 0 BDADLO C[C@@H](O)CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284092 588225762 /nfs/dbraw/zinc/22/57/62/588225762.db2.gz KNQXBPZSHUGILZ-WDEREUQCSA-N 1 2 240.303 1.538 20 0 BDADLO C[C@H](CC(=O)OCc1cn[nH]c1)n1cc[nH+]c1 ZINC000845286129 588225788 /nfs/dbraw/zinc/22/57/88/588225788.db2.gz VKHCMZMBLMHGST-SECBINFHSA-N 1 2 234.259 1.301 20 0 BDADLO Cc1cc(N2C[C@H]3[C@@H](C2)C3(F)F)nc[nH+]1 ZINC000845751399 588243642 /nfs/dbraw/zinc/24/36/42/588243642.db2.gz AZZHNVUIQDIERU-OCAPTIKFSA-N 1 2 211.215 1.486 20 0 BDADLO CC[C@@H](NC(=O)C=C(C)COC)c1[nH]cc[nH+]1 ZINC000845953731 588251420 /nfs/dbraw/zinc/25/14/20/588251420.db2.gz ZIJCDAYEUBCRGJ-UJICNMFASA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@@H](NC(=O)/C=C(/C)COC)c1[nH]cc[nH+]1 ZINC000845953731 588251421 /nfs/dbraw/zinc/25/14/21/588251421.db2.gz ZIJCDAYEUBCRGJ-UJICNMFASA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(C)nn2)[C@@H](C)CO1 ZINC000846044201 588254551 /nfs/dbraw/zinc/25/45/51/588254551.db2.gz FMBRQXMCBHAECZ-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(C)nn2)[C@@H](C)CO1 ZINC000846044201 588254552 /nfs/dbraw/zinc/25/45/52/588254552.db2.gz FMBRQXMCBHAECZ-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OCC23CCC3)nn1 ZINC000846066298 588255161 /nfs/dbraw/zinc/25/51/61/588255161.db2.gz BTGQQHWNEKJCSC-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)nn1 ZINC000846066298 588255162 /nfs/dbraw/zinc/25/51/62/588255162.db2.gz BTGQQHWNEKJCSC-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000846084956 588255978 /nfs/dbraw/zinc/25/59/78/588255978.db2.gz GGLMLSUOEMYZRN-RKDXNWHRSA-N 1 2 214.309 1.078 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000846088347 588256433 /nfs/dbraw/zinc/25/64/33/588256433.db2.gz XSQPJINMLLATHJ-WDEREUQCSA-N 1 2 228.336 1.470 20 0 BDADLO C[C@@H](CCO)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000846599653 588278873 /nfs/dbraw/zinc/27/88/73/588278873.db2.gz HJIGGQRDPYODKG-JTQLQIEISA-N 1 2 247.298 1.177 20 0 BDADLO COCCC[N@@H+](C)Cc1cnsn1 ZINC000846780598 588288011 /nfs/dbraw/zinc/28/80/11/588288011.db2.gz SQVWHNUUBZMGTN-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO COCCC[N@H+](C)Cc1cnsn1 ZINC000846780598 588288010 /nfs/dbraw/zinc/28/80/10/588288010.db2.gz SQVWHNUUBZMGTN-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCCNC(=O)C1 ZINC000846794896 588288593 /nfs/dbraw/zinc/28/85/93/588288593.db2.gz CHFXOMIAVBWPFT-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCCNC(=O)C1 ZINC000846794896 588288594 /nfs/dbraw/zinc/28/85/94/588288594.db2.gz CHFXOMIAVBWPFT-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000846811661 588290423 /nfs/dbraw/zinc/29/04/23/588290423.db2.gz MLGUQXIYQXDAHA-SECBINFHSA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC000846811661 588290424 /nfs/dbraw/zinc/29/04/24/588290424.db2.gz MLGUQXIYQXDAHA-SECBINFHSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838342 588292289 /nfs/dbraw/zinc/29/22/89/588292289.db2.gz YKRWDMYJZSGSLM-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838342 588292290 /nfs/dbraw/zinc/29/22/90/588292290.db2.gz YKRWDMYJZSGSLM-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@]1(CCCO)CCC[N@@H+]1Cc1cnsn1 ZINC000846841097 588292675 /nfs/dbraw/zinc/29/26/75/588292675.db2.gz WONPLLIXAYTJMO-LLVKDONJSA-N 1 2 241.360 1.665 20 0 BDADLO C[C@]1(CCCO)CCC[N@H+]1Cc1cnsn1 ZINC000846841097 588292676 /nfs/dbraw/zinc/29/26/76/588292676.db2.gz WONPLLIXAYTJMO-LLVKDONJSA-N 1 2 241.360 1.665 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnsn2)CCCO1 ZINC000846889628 588295613 /nfs/dbraw/zinc/29/56/13/588295613.db2.gz PGFUJWFOUWGRFY-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnsn2)CCCO1 ZINC000846889628 588295614 /nfs/dbraw/zinc/29/56/14/588295614.db2.gz PGFUJWFOUWGRFY-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2cnsn2)cn1 ZINC000846971224 588299152 /nfs/dbraw/zinc/29/91/52/588299152.db2.gz SSIFZQYLPABNPH-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO CON1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000846975029 588299368 /nfs/dbraw/zinc/29/93/68/588299368.db2.gz FUGUWQBSHQSQSM-UHFFFAOYSA-N 1 2 224.279 1.505 20 0 BDADLO OCCC[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846984657 588300471 /nfs/dbraw/zinc/30/04/71/588300471.db2.gz PXOUAXAJAIYHSS-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OCCC[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846984657 588300472 /nfs/dbraw/zinc/30/04/72/588300472.db2.gz PXOUAXAJAIYHSS-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCCO ZINC000847058807 588305598 /nfs/dbraw/zinc/30/55/98/588305598.db2.gz CCBMMYBWCMWTAZ-UHFFFAOYSA-N 1 2 217.309 1.080 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847518957 588315402 /nfs/dbraw/zinc/31/54/02/588315402.db2.gz XFIGEQMXDCYGDY-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847518957 588315403 /nfs/dbraw/zinc/31/54/03/588315403.db2.gz XFIGEQMXDCYGDY-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOC/C=C\Cl ZINC000848104899 588356273 /nfs/dbraw/zinc/35/62/73/588356273.db2.gz DNRBPCZLFMVLHD-YAJNLLPGSA-N 1 2 243.694 1.389 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOC/C=C\Cl ZINC000848104899 588356274 /nfs/dbraw/zinc/35/62/74/588356274.db2.gz DNRBPCZLFMVLHD-YAJNLLPGSA-N 1 2 243.694 1.389 20 0 BDADLO CC[C@H](C)CONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848120828 588358867 /nfs/dbraw/zinc/35/88/67/588358867.db2.gz PQIJVBDUATVAED-VHSXEESVSA-N 1 2 239.319 1.682 20 0 BDADLO CC[C@H](C)CONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848120828 588358870 /nfs/dbraw/zinc/35/88/70/588358870.db2.gz PQIJVBDUATVAED-VHSXEESVSA-N 1 2 239.319 1.682 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NOC3CCC3)ccn12 ZINC000848163132 588362495 /nfs/dbraw/zinc/36/24/95/588362495.db2.gz WLJYPRFPTNWINW-UHFFFAOYSA-N 1 2 245.282 1.857 20 0 BDADLO CCc1cc(C[NH2+][C@H]2CCCn3ccnc32)[nH]n1 ZINC000848531197 588393116 /nfs/dbraw/zinc/39/31/16/588393116.db2.gz OUUYKUWEKGOXLG-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CC(C)c1nc(N(C[C@H](C)O)C2CC2)cc[nH+]1 ZINC000848791693 588413478 /nfs/dbraw/zinc/41/34/78/588413478.db2.gz QHBRYMWOPPWJIM-JTQLQIEISA-N 1 2 235.331 1.950 20 0 BDADLO C[NH+](C)c1ccc(-n2cc(C(C)(C)O)nn2)cc1 ZINC000849146376 588455310 /nfs/dbraw/zinc/45/53/10/588455310.db2.gz QSIFAWRKDXTDOG-UHFFFAOYSA-N 1 2 246.314 1.561 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C=CCC1 ZINC000849225987 588463047 /nfs/dbraw/zinc/46/30/47/588463047.db2.gz JUDCWZWFKGQUKP-GHMZBOCLSA-N 1 2 234.303 1.289 20 0 BDADLO Cn1cc[nH+]c1CNc1nnc(C2CC2)n1C ZINC000849347194 588474390 /nfs/dbraw/zinc/47/43/90/588474390.db2.gz VYHRRAHCIWDIDJ-UHFFFAOYSA-N 1 2 232.291 1.038 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000849395417 588476588 /nfs/dbraw/zinc/47/65/88/588476588.db2.gz VRCPKZFUMCCWSH-ZJUUUORDSA-N 1 2 234.303 1.379 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OCC[C@@H](C)O ZINC000849690592 588486542 /nfs/dbraw/zinc/48/65/42/588486542.db2.gz JBMHMUNUGCAFPN-SECBINFHSA-N 1 2 238.287 1.359 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC=C(C)C)C1 ZINC000849734359 588491468 /nfs/dbraw/zinc/49/14/68/588491468.db2.gz GAJSNQHZSOUMFV-LBPRGKRZSA-N 1 2 241.331 1.607 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCC=C(C)C)C1 ZINC000849734359 588491469 /nfs/dbraw/zinc/49/14/69/588491469.db2.gz GAJSNQHZSOUMFV-LBPRGKRZSA-N 1 2 241.331 1.607 20 0 BDADLO Nc1ccc(CCC(=O)OCc2cc[nH]n2)c[nH+]1 ZINC000849747323 588493161 /nfs/dbraw/zinc/49/31/61/588493161.db2.gz MGMONZUOGMKQSH-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCC1(C)C ZINC000850071046 588518219 /nfs/dbraw/zinc/51/82/19/588518219.db2.gz ZLMIZKJYTCXGKL-NSHDSACASA-N 1 2 236.315 1.942 20 0 BDADLO CO[C@@H](C(=O)OCCn1cc[nH+]c1)C1CCC1 ZINC000850177470 588524276 /nfs/dbraw/zinc/52/42/76/588524276.db2.gz WFYVNZPCCRNTLM-LLVKDONJSA-N 1 2 238.287 1.241 20 0 BDADLO CCn1cnc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000850184203 588525392 /nfs/dbraw/zinc/52/53/92/588525392.db2.gz VIUAMYSOKJRRJL-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO FCC(CF)[NH2+]Cc1ccnn1CC1CC1 ZINC000850312985 588536241 /nfs/dbraw/zinc/53/62/41/588536241.db2.gz KJUQWORNDIHOCM-UHFFFAOYSA-N 1 2 229.274 1.690 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cncnc2)c1F ZINC000850380990 588542824 /nfs/dbraw/zinc/54/28/24/588542824.db2.gz SIVJHDWIECLADL-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850970049 588580741 /nfs/dbraw/zinc/58/07/41/588580741.db2.gz NJUNEZQGJYTHON-GDNZZTSVSA-N 1 2 248.326 1.942 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)CCCF ZINC000851025557 588584911 /nfs/dbraw/zinc/58/49/11/588584911.db2.gz ADKTWPQFNVCZPZ-UHFFFAOYSA-N 1 2 240.278 1.941 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2cnon2)c1 ZINC000851718249 588616673 /nfs/dbraw/zinc/61/66/73/588616673.db2.gz GPAFXTKUWSAZGD-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2cnon2)c1 ZINC000851718249 588616674 /nfs/dbraw/zinc/61/66/74/588616674.db2.gz GPAFXTKUWSAZGD-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC000851736671 588620349 /nfs/dbraw/zinc/62/03/49/588620349.db2.gz ULVAJYPKMQCEGX-ZETCQYMHSA-N 1 2 237.130 1.516 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC000851736671 588620350 /nfs/dbraw/zinc/62/03/50/588620350.db2.gz ULVAJYPKMQCEGX-ZETCQYMHSA-N 1 2 237.130 1.516 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC000851736670 588620357 /nfs/dbraw/zinc/62/03/57/588620357.db2.gz ULVAJYPKMQCEGX-SSDOTTSWSA-N 1 2 237.130 1.516 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC000851736670 588620358 /nfs/dbraw/zinc/62/03/58/588620358.db2.gz ULVAJYPKMQCEGX-SSDOTTSWSA-N 1 2 237.130 1.516 20 0 BDADLO CCC[C@](C)([NH2+]CCC(OC)OC)C(=O)OC ZINC000851777007 588627161 /nfs/dbraw/zinc/62/71/61/588627161.db2.gz GKFVHEGHMLYWPZ-LBPRGKRZSA-N 1 2 247.335 1.317 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnon2)CCS1 ZINC000851791637 588629282 /nfs/dbraw/zinc/62/92/82/588629282.db2.gz DUZQEXVPRQTPPN-JTQLQIEISA-N 1 2 227.333 1.643 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnon2)CCS1 ZINC000851791637 588629283 /nfs/dbraw/zinc/62/92/83/588629283.db2.gz DUZQEXVPRQTPPN-JTQLQIEISA-N 1 2 227.333 1.643 20 0 BDADLO FC(F)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000851793822 588629392 /nfs/dbraw/zinc/62/93/92/588629392.db2.gz KTBCEUZQTGXQOI-OCAPTIKFSA-N 1 2 207.220 1.089 20 0 BDADLO FC(F)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000851793822 588629393 /nfs/dbraw/zinc/62/93/93/588629393.db2.gz KTBCEUZQTGXQOI-OCAPTIKFSA-N 1 2 207.220 1.089 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1cnon1 ZINC000851866234 588633328 /nfs/dbraw/zinc/63/33/28/588633328.db2.gz KLCDKNMPTOVNBS-UHFFFAOYSA-N 1 2 224.289 1.201 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1cnon1 ZINC000851866234 588633329 /nfs/dbraw/zinc/63/33/29/588633329.db2.gz KLCDKNMPTOVNBS-UHFFFAOYSA-N 1 2 224.289 1.201 20 0 BDADLO c1c[nH]c([C@H]2CCC[N@H+]2Cc2cnon2)c1 ZINC000851824563 588633706 /nfs/dbraw/zinc/63/37/06/588633706.db2.gz WGQRWZQQCXZLCM-LLVKDONJSA-N 1 2 218.260 1.735 20 0 BDADLO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cnon2)c1 ZINC000851824563 588633707 /nfs/dbraw/zinc/63/37/07/588633707.db2.gz WGQRWZQQCXZLCM-LLVKDONJSA-N 1 2 218.260 1.735 20 0 BDADLO Fc1cccc(C[N@@H+]2CCC3(C2)OCCO3)n1 ZINC000851839240 588634201 /nfs/dbraw/zinc/63/42/01/588634201.db2.gz KKCPIOLYONDWKW-UHFFFAOYSA-N 1 2 238.262 1.170 20 0 BDADLO Fc1cccc(C[N@H+]2CCC3(C2)OCCO3)n1 ZINC000851839240 588634202 /nfs/dbraw/zinc/63/42/02/588634202.db2.gz KKCPIOLYONDWKW-UHFFFAOYSA-N 1 2 238.262 1.170 20 0 BDADLO FC(F)(F)C1C[NH+](Cc2cn[nH]c2)C1 ZINC000851857146 588635665 /nfs/dbraw/zinc/63/56/65/588635665.db2.gz MZZRJQUMJJSDGN-UHFFFAOYSA-N 1 2 205.183 1.404 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851871292 588637111 /nfs/dbraw/zinc/63/71/11/588637111.db2.gz OLHCVLQWWJMPDU-SNVBAGLBSA-N 1 2 239.319 1.003 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851871292 588637112 /nfs/dbraw/zinc/63/71/12/588637112.db2.gz OLHCVLQWWJMPDU-SNVBAGLBSA-N 1 2 239.319 1.003 20 0 BDADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@H]3C[C@H]32)nn1 ZINC000851877476 588638640 /nfs/dbraw/zinc/63/86/40/588638640.db2.gz IOTKZGXDTFOSPR-GXSJLCMTSA-N 1 2 220.320 1.627 20 0 BDADLO CC(C)(C)n1cc(C[N@H+]2CC[C@H]3C[C@H]32)nn1 ZINC000851877476 588638641 /nfs/dbraw/zinc/63/86/41/588638641.db2.gz IOTKZGXDTFOSPR-GXSJLCMTSA-N 1 2 220.320 1.627 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3cccc(F)n3)CCN12 ZINC000851884277 588639828 /nfs/dbraw/zinc/63/98/28/588639828.db2.gz PJGZOKKSFZORNV-NSHDSACASA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3cccc(F)n3)CCN12 ZINC000851884277 588639829 /nfs/dbraw/zinc/63/98/29/588639829.db2.gz PJGZOKKSFZORNV-NSHDSACASA-N 1 2 249.289 1.027 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cn(C)nc2C)n1 ZINC000851899263 588641657 /nfs/dbraw/zinc/64/16/57/588641657.db2.gz ZVRMMAPFZQORJE-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO Cn1cc([C@H]([NH2+]Cc2cnon2)C(C)(C)C)cn1 ZINC000851904988 588642047 /nfs/dbraw/zinc/64/20/47/588642047.db2.gz ASPDWUJIPRDSKD-NSHDSACASA-N 1 2 249.318 1.680 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCC1=O ZINC000851952089 588647640 /nfs/dbraw/zinc/64/76/40/588647640.db2.gz IDFSVMUHUOKRKP-ZWNOBZJWSA-N 1 2 234.299 1.026 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCC1=O ZINC000851952089 588647641 /nfs/dbraw/zinc/64/76/41/588647641.db2.gz IDFSVMUHUOKRKP-ZWNOBZJWSA-N 1 2 234.299 1.026 20 0 BDADLO c1nonc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000851970710 588649654 /nfs/dbraw/zinc/64/96/54/588649654.db2.gz JAWAPBUEIJPPMD-LBPRGKRZSA-N 1 2 237.303 1.461 20 0 BDADLO CC1(C)OC[C@@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000852006819 588654682 /nfs/dbraw/zinc/65/46/82/588654682.db2.gz DYMUQTLTODPTOC-LLVKDONJSA-N 1 2 234.299 1.549 20 0 BDADLO CC1(C)OC[C@@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000852006819 588654683 /nfs/dbraw/zinc/65/46/83/588654683.db2.gz DYMUQTLTODPTOC-LLVKDONJSA-N 1 2 234.299 1.549 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCCC[C@H]2C(F)F)O1 ZINC000852015499 588655586 /nfs/dbraw/zinc/65/55/86/588655586.db2.gz LSIRYIBUCNEBHV-BDAKNGLRSA-N 1 2 233.258 1.812 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCCC[C@H]2C(F)F)O1 ZINC000852015499 588655587 /nfs/dbraw/zinc/65/55/87/588655587.db2.gz LSIRYIBUCNEBHV-BDAKNGLRSA-N 1 2 233.258 1.812 20 0 BDADLO CO[C@@H](C[NH2+][C@]1(C)CCOC1=O)C1CCC1 ZINC000852062462 588658725 /nfs/dbraw/zinc/65/87/25/588658725.db2.gz FTBCHUFRZKHTIM-CMPLNLGQSA-N 1 2 227.304 1.097 20 0 BDADLO c1nonc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000852137321 588666090 /nfs/dbraw/zinc/66/60/90/588666090.db2.gz NIESNBKDBRIUAV-SNVBAGLBSA-N 1 2 225.317 1.397 20 0 BDADLO c1nonc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000852137321 588666091 /nfs/dbraw/zinc/66/60/91/588666091.db2.gz NIESNBKDBRIUAV-SNVBAGLBSA-N 1 2 225.317 1.397 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2cnon2)cn1 ZINC000852142885 588666702 /nfs/dbraw/zinc/66/67/02/588666702.db2.gz DJTFIGQKHXKMRU-MRVPVSSYSA-N 1 2 221.264 1.137 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CC(F)(F)C1 ZINC000852187856 588671125 /nfs/dbraw/zinc/67/11/25/588671125.db2.gz VFVYBSWQOVBHCY-UHFFFAOYSA-N 1 2 233.218 1.252 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CC(F)(F)C1 ZINC000852187856 588671126 /nfs/dbraw/zinc/67/11/26/588671126.db2.gz VFVYBSWQOVBHCY-UHFFFAOYSA-N 1 2 233.218 1.252 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000852210600 588672448 /nfs/dbraw/zinc/67/24/48/588672448.db2.gz IHHUMEOCJVDIJE-NSHDSACASA-N 1 2 225.292 1.459 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000852210600 588672449 /nfs/dbraw/zinc/67/24/49/588672449.db2.gz IHHUMEOCJVDIJE-NSHDSACASA-N 1 2 225.292 1.459 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000852220148 588674012 /nfs/dbraw/zinc/67/40/12/588674012.db2.gz XSGFXTFBTKHUKB-JQWIXIFHSA-N 1 2 220.320 1.672 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000852220148 588674013 /nfs/dbraw/zinc/67/40/13/588674013.db2.gz XSGFXTFBTKHUKB-JQWIXIFHSA-N 1 2 220.320 1.672 20 0 BDADLO CCCCOC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000852284135 588674599 /nfs/dbraw/zinc/67/45/99/588674599.db2.gz HYZIRDSNRVLCQX-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCCCOC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000852284135 588674600 /nfs/dbraw/zinc/67/46/00/588674600.db2.gz HYZIRDSNRVLCQX-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCCCOC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000852286270 588675851 /nfs/dbraw/zinc/67/58/51/588675851.db2.gz BDSDSQKVEPXUFC-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO CCCCOC(=O)[C@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000852286270 588675852 /nfs/dbraw/zinc/67/58/52/588675852.db2.gz BDSDSQKVEPXUFC-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO CCOC(=O)[C@]1(F)C[N@H+](CCF)CC12CCC2 ZINC000852315061 588678179 /nfs/dbraw/zinc/67/81/79/588678179.db2.gz IHXCQXOMRPZLNP-GFCCVEGCSA-N 1 2 247.285 1.713 20 0 BDADLO CCOC(=O)[C@]1(F)C[N@@H+](CCF)CC12CCC2 ZINC000852315061 588678180 /nfs/dbraw/zinc/67/81/80/588678180.db2.gz IHXCQXOMRPZLNP-GFCCVEGCSA-N 1 2 247.285 1.713 20 0 BDADLO O[C@@H]1CC[N@H+](CC2(O)CCCCC2)CC1(F)F ZINC000852413648 588681550 /nfs/dbraw/zinc/68/15/50/588681550.db2.gz YWJJZILLDPFPOP-SNVBAGLBSA-N 1 2 249.301 1.384 20 0 BDADLO O[C@@H]1CC[N@@H+](CC2(O)CCCCC2)CC1(F)F ZINC000852413648 588681551 /nfs/dbraw/zinc/68/15/51/588681551.db2.gz YWJJZILLDPFPOP-SNVBAGLBSA-N 1 2 249.301 1.384 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)C[C@@H]1COCCO1 ZINC000852498426 588685908 /nfs/dbraw/zinc/68/59/08/588685908.db2.gz HSAOBROZRZBVNO-MRVPVSSYSA-N 1 2 240.130 1.653 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)C[C@@H]1COCCO1 ZINC000852498426 588685909 /nfs/dbraw/zinc/68/59/09/588685909.db2.gz HSAOBROZRZBVNO-MRVPVSSYSA-N 1 2 240.130 1.653 20 0 BDADLO C[C@]12COC[C@H]1C[N@H+](CC(F)(F)C(F)F)C2 ZINC000852534549 588688501 /nfs/dbraw/zinc/68/85/01/588688501.db2.gz MSGRAUYYKOUSKL-APPZFPTMSA-N 1 2 241.228 1.855 20 0 BDADLO C[C@]12COC[C@H]1C[N@@H+](CC(F)(F)C(F)F)C2 ZINC000852534549 588688502 /nfs/dbraw/zinc/68/85/02/588688502.db2.gz MSGRAUYYKOUSKL-APPZFPTMSA-N 1 2 241.228 1.855 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852584434 588691829 /nfs/dbraw/zinc/69/18/29/588691829.db2.gz NHCDEKNSFLUABY-DCAQKATOSA-N 1 2 241.331 1.221 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC(c2ccon2)CC1 ZINC000852673722 588694872 /nfs/dbraw/zinc/69/48/72/588694872.db2.gz XCWHMBKWGILQPD-LLVKDONJSA-N 1 2 236.271 1.170 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCOC(F)F)CCO1 ZINC000852783728 588700511 /nfs/dbraw/zinc/70/05/11/588700511.db2.gz UFCXDQQBIPPQHT-VIFPVBQESA-N 1 2 245.216 1.582 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCOC(F)F)CCO1 ZINC000852783728 588700512 /nfs/dbraw/zinc/70/05/12/588700512.db2.gz UFCXDQQBIPPQHT-VIFPVBQESA-N 1 2 245.216 1.582 20 0 BDADLO COC1CC(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000860553094 589105795 /nfs/dbraw/zinc/10/57/95/589105795.db2.gz FKANDOFFNTYXSZ-VQXHTEKXSA-N 1 2 249.314 1.498 20 0 BDADLO CC[C@@H](NC(=O)Cn1nccc1C)c1[nH]cc[nH+]1 ZINC000860889081 589126234 /nfs/dbraw/zinc/12/62/34/589126234.db2.gz NORCVSGBILJOGA-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000118394922 589169591 /nfs/dbraw/zinc/16/95/91/589169591.db2.gz XGIOQBNYBFUWPV-JTQLQIEISA-N 1 2 245.344 1.707 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000118394922 589169593 /nfs/dbraw/zinc/16/95/93/589169593.db2.gz XGIOQBNYBFUWPV-JTQLQIEISA-N 1 2 245.344 1.707 20 0 BDADLO C[C@@H](CC(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000861759129 589176755 /nfs/dbraw/zinc/17/67/55/589176755.db2.gz GQSCLNLHIKVMSM-VIFPVBQESA-N 1 2 233.315 1.731 20 0 BDADLO C[C@@H](CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000861759129 589176756 /nfs/dbraw/zinc/17/67/56/589176756.db2.gz GQSCLNLHIKVMSM-VIFPVBQESA-N 1 2 233.315 1.731 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NOC(C)C)CC2 ZINC000861881348 589181497 /nfs/dbraw/zinc/18/14/97/589181497.db2.gz SRJQTBMZPCTYFR-JTQLQIEISA-N 1 2 237.303 1.210 20 0 BDADLO CCOC(=O)CN(Cc1[nH]cc(C)[nH+]1)C(C)C ZINC000862230054 589195633 /nfs/dbraw/zinc/19/56/33/589195633.db2.gz YBEDYIOBEXRCLS-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO Cc1c(F)nccc1CN(C)Cc1[nH+]ccn1C ZINC000862302278 589200614 /nfs/dbraw/zinc/20/06/14/589200614.db2.gz PXKYKAWGAGINSE-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1[nH]c(CN2CCC[C@]23CCOC3=O)[nH+]c1C ZINC000862333506 589201056 /nfs/dbraw/zinc/20/10/56/589201056.db2.gz SOGIYAHWXCXODW-CYBMUJFWSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccnc(F)c2)o1 ZINC000862334976 589201369 /nfs/dbraw/zinc/20/13/69/589201369.db2.gz WCBHIFAXKIYAST-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000862339821 589201784 /nfs/dbraw/zinc/20/17/84/589201784.db2.gz IVPFBWKAAMASPW-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2oc(C)nc2C)n1 ZINC000862397373 589208773 /nfs/dbraw/zinc/20/87/73/589208773.db2.gz GDZUOSFJVKFCPQ-UHFFFAOYSA-N 1 2 249.318 1.501 20 0 BDADLO CC1(C)CC(=O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862771024 589240640 /nfs/dbraw/zinc/24/06/40/589240640.db2.gz PQGHUAWETKTKCG-UHFFFAOYSA-N 1 2 249.314 1.170 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@@H+]2CCOC[C@@H]2CC)C1 ZINC000119334176 589271845 /nfs/dbraw/zinc/27/18/45/589271845.db2.gz LRISSVJRXJPFFC-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@H+]2CCOC[C@@H]2CC)C1 ZINC000119334176 589271847 /nfs/dbraw/zinc/27/18/47/589271847.db2.gz LRISSVJRXJPFFC-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO C[C@H]1C[C@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000863461021 589290403 /nfs/dbraw/zinc/29/04/03/589290403.db2.gz SPXQQOIMSJQSKD-ONGXEEELSA-N 1 2 219.288 1.779 20 0 BDADLO C[C@H]1C[C@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000863468345 589290938 /nfs/dbraw/zinc/29/09/38/589290938.db2.gz WIEUOABSWSWZHP-IUCAKERBSA-N 1 2 214.309 1.956 20 0 BDADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000863474233 589291263 /nfs/dbraw/zinc/29/12/63/589291263.db2.gz ACFOBCNFIVNHKQ-OUAUKWLOSA-N 1 2 242.319 1.194 20 0 BDADLO NC(=[NH+]OCc1ccnc(F)c1)[C@H]1CCCO1 ZINC000863473023 589291331 /nfs/dbraw/zinc/29/13/31/589291331.db2.gz XHGIJKVXMPUFKG-SECBINFHSA-N 1 2 239.250 1.398 20 0 BDADLO CCOCCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863479712 589292562 /nfs/dbraw/zinc/29/25/62/589292562.db2.gz WEUQLORRUQXULV-UHFFFAOYSA-N 1 2 244.335 1.871 20 0 BDADLO CC1(C)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1(F)F ZINC000864074548 589339767 /nfs/dbraw/zinc/33/97/67/589339767.db2.gz XOSNLAKQECSWAD-QMMMGPOBSA-N 1 2 243.257 1.360 20 0 BDADLO CC1(C)[C@H](CNC(=O)Cc2c[nH+]c[nH]2)C1(F)F ZINC000864074548 589339769 /nfs/dbraw/zinc/33/97/69/589339769.db2.gz XOSNLAKQECSWAD-QMMMGPOBSA-N 1 2 243.257 1.360 20 0 BDADLO C[C@H](O)c1ccc(N2C[C@@H]3COC[C@]3(C)C2)[nH+]c1 ZINC000864088395 589343077 /nfs/dbraw/zinc/34/30/77/589343077.db2.gz AMXMWZFHHMNQOM-SUHUHFCYSA-N 1 2 248.326 1.608 20 0 BDADLO CC/C=C(\F)C(=O)N1CC[NH+](C)CC1 ZINC000864382376 589356842 /nfs/dbraw/zinc/35/68/42/589356842.db2.gz QAXVGGHAPBBIPX-WTKPLQERSA-N 1 2 200.257 1.024 20 0 BDADLO CCCN(CCC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864412602 589360124 /nfs/dbraw/zinc/36/01/24/589360124.db2.gz WNYDIUOLYWWLOH-SNVBAGLBSA-N 1 2 225.292 1.092 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000864414094 589360203 /nfs/dbraw/zinc/36/02/03/589360203.db2.gz ZISSWUXVSFTRCS-YVECIDJPSA-N 1 2 247.342 1.682 20 0 BDADLO CC[C@H](C)N(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865081453 589407967 /nfs/dbraw/zinc/40/79/67/589407967.db2.gz BVKXETAAKGSZGW-FJOGCWAESA-N 1 2 240.347 1.132 20 0 BDADLO COC/C=C/C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865139991 589410574 /nfs/dbraw/zinc/41/05/74/589410574.db2.gz AVFKKPOYVCZJFT-JOAKQRRISA-N 1 2 249.314 1.318 20 0 BDADLO Cc1nc(NC[C@@H]2CC2(Cl)Cl)nc(N)[nH+]1 ZINC000865411226 589434407 /nfs/dbraw/zinc/43/44/07/589434407.db2.gz UEFZXSPFCVDIAN-YFKPBYRVSA-N 1 2 248.117 1.368 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CC2(Cl)Cl)[nH+]1 ZINC000865411226 589434408 /nfs/dbraw/zinc/43/44/08/589434408.db2.gz UEFZXSPFCVDIAN-YFKPBYRVSA-N 1 2 248.117 1.368 20 0 BDADLO Cc1noc(C)c1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000865438202 589435868 /nfs/dbraw/zinc/43/58/68/589435868.db2.gz ORBAPPSLOXNAAX-UHFFFAOYSA-N 1 2 248.290 1.003 20 0 BDADLO Cc1noc(C)c1CN(C)c1nc(N)nc(C)[nH+]1 ZINC000865438202 589435869 /nfs/dbraw/zinc/43/58/69/589435869.db2.gz ORBAPPSLOXNAAX-UHFFFAOYSA-N 1 2 248.290 1.003 20 0 BDADLO C[C@H](O)c1ccc(NC[C@H](O)c2ccco2)[nH+]c1 ZINC000865439624 589436203 /nfs/dbraw/zinc/43/62/03/589436203.db2.gz YASOMTYCFHJXGG-ONGXEEELSA-N 1 2 248.282 1.873 20 0 BDADLO OCCn1cc(NCc2cn(C3CC3)c[nH+]2)cn1 ZINC000865445504 589436672 /nfs/dbraw/zinc/43/66/72/589436672.db2.gz PMLLRVMVUGSPSP-UHFFFAOYSA-N 1 2 247.302 1.019 20 0 BDADLO Cn1ccc(NCc2cn(C3CC3)c[nH+]2)n1 ZINC000865489662 589441164 /nfs/dbraw/zinc/44/11/64/589441164.db2.gz RUFARCYWIUZYKK-UHFFFAOYSA-N 1 2 217.276 1.564 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc(C)ncn2)nn1 ZINC000865511588 589442424 /nfs/dbraw/zinc/44/24/24/589442424.db2.gz GSZLFNIWTNAQDW-UHFFFAOYSA-N 1 2 246.318 1.076 20 0 BDADLO CCCNc1cc(NCC2(C)COC2)nc[nH+]1 ZINC000865536989 589444030 /nfs/dbraw/zinc/44/40/30/589444030.db2.gz SPXYYZFEXYVGPB-UHFFFAOYSA-N 1 2 236.319 1.747 20 0 BDADLO CCCNc1cc(NCC2(C)COC2)[nH+]cn1 ZINC000865536989 589444031 /nfs/dbraw/zinc/44/40/31/589444031.db2.gz SPXYYZFEXYVGPB-UHFFFAOYSA-N 1 2 236.319 1.747 20 0 BDADLO C[C@@H](O)c1ccc(NCC2(C)COC2)[nH+]c1 ZINC000865536719 589444404 /nfs/dbraw/zinc/44/44/04/589444404.db2.gz JEILMHYOTNYZMY-SECBINFHSA-N 1 2 222.288 1.583 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cnc(CC)o2)nn1 ZINC000865591865 589449919 /nfs/dbraw/zinc/44/99/19/589449919.db2.gz NLYVFPCDUUIOHV-UHFFFAOYSA-N 1 2 249.318 1.528 20 0 BDADLO C[C@@H](Nc1ccc([C@H](C)O)c[nH+]1)c1ncnn1C ZINC000865720537 589458149 /nfs/dbraw/zinc/45/81/49/589458149.db2.gz IMAAWFOUNIMECZ-BDAKNGLRSA-N 1 2 247.302 1.437 20 0 BDADLO CCOC1CC2(C[C@@H]2C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000865719576 589458158 /nfs/dbraw/zinc/45/81/58/589458158.db2.gz VPAFHXPJKUYMTL-RUETXSTFSA-N 1 2 249.314 1.231 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865716631 589458283 /nfs/dbraw/zinc/45/82/83/589458283.db2.gz CCCRAZKATFIYHJ-GUBZILKMSA-N 1 2 224.304 1.970 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ccnc(F)c1 ZINC000865722845 589458435 /nfs/dbraw/zinc/45/84/35/589458435.db2.gz QZIZQSDMUNLFQC-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ccnc(F)c2)n1 ZINC000865722376 589458705 /nfs/dbraw/zinc/45/87/05/589458705.db2.gz IRVIAYYILDNKCW-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H]2C[C@@H](O)C2)[nH+]c1 ZINC000865862896 589465915 /nfs/dbraw/zinc/46/59/15/589465915.db2.gz SSYCGJYPOIHVRF-QNSHHTMESA-N 1 2 208.261 1.070 20 0 BDADLO C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2CS3)[nH+]c1 ZINC000865870776 589466217 /nfs/dbraw/zinc/46/62/17/589466217.db2.gz AGOQZGJEMPDYRY-MIMYLULJSA-N 1 2 236.340 1.829 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@@H]2CCCNC2=O)[nH+]c1 ZINC000865872199 589466375 /nfs/dbraw/zinc/46/63/75/589466375.db2.gz SYPZDOXHFABPIM-KOLCDFICSA-N 1 2 249.314 1.073 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878661 589467090 /nfs/dbraw/zinc/46/70/90/589467090.db2.gz VSPHESHSZXLCLT-MGAJPHDKSA-N 1 2 245.326 1.559 20 0 BDADLO CCCNc1cc(N(C)[C@@H](C)CCO)nc[nH+]1 ZINC000865912105 589468282 /nfs/dbraw/zinc/46/82/82/589468282.db2.gz KKQJMOMSLYLCAG-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCCNc1cc(N(C)[C@@H](C)CCO)[nH+]cn1 ZINC000865912105 589468283 /nfs/dbraw/zinc/46/82/83/589468283.db2.gz KKQJMOMSLYLCAG-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C)n1)C(OC)OC ZINC000865924195 589468782 /nfs/dbraw/zinc/46/87/82/589468782.db2.gz JCLYLIUTRQITDC-VIFPVBQESA-N 1 2 225.292 1.594 20 0 BDADLO CC(C)Cc1cc(N[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000865956040 589470287 /nfs/dbraw/zinc/47/02/87/589470287.db2.gz RLTLQMLOIVNKSG-XYPYZODXSA-N 1 2 221.304 1.610 20 0 BDADLO c1ccc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)[nH+]c1 ZINC000866045423 589473704 /nfs/dbraw/zinc/47/37/04/589473704.db2.gz METVOQLEWXIMIP-STXZSOOUSA-N 1 2 216.284 1.917 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1noc(C)n1 ZINC000866059813 589474429 /nfs/dbraw/zinc/47/44/29/589474429.db2.gz QEDDMTARTKVHDJ-SSDOTTSWSA-N 1 2 249.274 1.085 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866267814 589483745 /nfs/dbraw/zinc/48/37/45/589483745.db2.gz HYKYWSGYEAJNFY-KKZNHRDASA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1nc[nH+]c(C)c1OC ZINC000866304174 589485448 /nfs/dbraw/zinc/48/54/48/589485448.db2.gz VCHCXOUBBIOISV-WPRPVWTQSA-N 1 2 239.319 1.755 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cncn1C ZINC000866644518 589506917 /nfs/dbraw/zinc/50/69/17/589506917.db2.gz WCCHJWVSZHFOKC-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866823247 589519467 /nfs/dbraw/zinc/51/94/67/589519467.db2.gz KJFHQSJURBZKPA-CLJBBPMWSA-N 1 2 237.278 1.647 20 0 BDADLO CCC=C(F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000866823247 589519470 /nfs/dbraw/zinc/51/94/70/589519470.db2.gz KJFHQSJURBZKPA-CLJBBPMWSA-N 1 2 237.278 1.647 20 0 BDADLO CC(C)(CNC(=O)OCCCF)n1cc[nH+]c1 ZINC000867723440 589532209 /nfs/dbraw/zinc/53/22/09/589532209.db2.gz GYQDAROJGGOOIX-UHFFFAOYSA-N 1 2 243.282 1.704 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)OCC1CC1 ZINC000867756078 589532924 /nfs/dbraw/zinc/53/29/24/589532924.db2.gz FTPACOXMCQFKKY-UHFFFAOYSA-N 1 2 209.249 1.388 20 0 BDADLO COC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867793545 589534474 /nfs/dbraw/zinc/53/44/74/589534474.db2.gz HXOITEDJDHPCRY-LLVKDONJSA-N 1 2 220.272 1.529 20 0 BDADLO COC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867793545 589534476 /nfs/dbraw/zinc/53/44/76/589534476.db2.gz HXOITEDJDHPCRY-LLVKDONJSA-N 1 2 220.272 1.529 20 0 BDADLO CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H]1C1CC1 ZINC000868443072 589558634 /nfs/dbraw/zinc/55/86/34/589558634.db2.gz SKFSVTBRSDADCM-WDEREUQCSA-N 1 2 249.314 1.090 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NOC1CCCC1 ZINC000868478440 589559904 /nfs/dbraw/zinc/55/99/04/589559904.db2.gz VLKKBNQIRVVDID-UHFFFAOYSA-N 1 2 238.291 1.425 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCC1(C)C ZINC000868611565 589567862 /nfs/dbraw/zinc/56/78/62/589567862.db2.gz ZDRKECCQRNTNOE-SECBINFHSA-N 1 2 236.319 1.740 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NOC/C=C\Cl ZINC000868633082 589569561 /nfs/dbraw/zinc/56/95/61/589569561.db2.gz VKUJUMDEBPKISX-IHWYPQMZSA-N 1 2 244.682 1.235 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NOC1CCC1 ZINC000868667079 589571864 /nfs/dbraw/zinc/57/18/64/589571864.db2.gz YNOGJQSGDKNECE-UHFFFAOYSA-N 1 2 224.264 1.035 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000868838448 589579097 /nfs/dbraw/zinc/57/90/97/589579097.db2.gz DYYJRBIGFSOILU-LPTSXCQYSA-N 1 2 247.342 1.371 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868878419 589581014 /nfs/dbraw/zinc/58/10/14/589581014.db2.gz DYSBTWOASIRWFA-SCZZXKLOSA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869222823 589592863 /nfs/dbraw/zinc/59/28/63/589592863.db2.gz KKNFNNZPEFCAOE-SCZZXKLOSA-N 1 2 225.292 1.090 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000869223663 589593000 /nfs/dbraw/zinc/59/30/00/589593000.db2.gz JMAIUEIRCYGSJN-NUGNTBJXSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000869223663 589593002 /nfs/dbraw/zinc/59/30/02/589593002.db2.gz JMAIUEIRCYGSJN-NUGNTBJXSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000869301648 589596909 /nfs/dbraw/zinc/59/69/09/589596909.db2.gz JFSJLEKJSSZXMC-YBXAARCKSA-N 1 2 247.342 1.889 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@H]2CCSC2)c[nH+]1 ZINC000869603613 589615847 /nfs/dbraw/zinc/61/58/47/589615847.db2.gz BOKKJDOPHVKLFI-VIFPVBQESA-N 1 2 239.344 1.591 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)OCCF ZINC000869972800 589640638 /nfs/dbraw/zinc/64/06/38/589640638.db2.gz DOGPEEVZHNAUSK-UHFFFAOYSA-N 1 2 240.209 1.529 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccnc(F)c1 ZINC000871006116 589709719 /nfs/dbraw/zinc/70/97/19/589709719.db2.gz PFOKQHVBYQFYEB-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO C/C=C\C[S@@](=O)Cc1[nH+]ccn1CC(F)F ZINC000871607026 589774945 /nfs/dbraw/zinc/77/49/45/589774945.db2.gz VOUXHMXOLGVEMM-RXYHWBRQSA-N 1 2 248.298 1.973 20 0 BDADLO O=[S@@](Cc1[nH+]ccn1CC(F)F)CC1CC1 ZINC000871612311 589776693 /nfs/dbraw/zinc/77/66/93/589776693.db2.gz WDJGPBLZIBIKRX-MRXNPFEDSA-N 1 2 248.298 1.807 20 0 BDADLO CO[C@H]1C[C@@H](CO[NH+]=C(N)c2ccccc2)C1 ZINC000871718904 589797856 /nfs/dbraw/zinc/79/78/56/589797856.db2.gz PKQCFIXSODDXIA-KLPPZKSPSA-N 1 2 234.299 1.958 20 0 BDADLO CO[C@H]1C[C@@H](CO[NH+]=C(N)COC(C)C)C1 ZINC000871728466 589799650 /nfs/dbraw/zinc/79/96/50/589799650.db2.gz UKGCUKRMLJCTDC-AOOOYVTPSA-N 1 2 230.308 1.335 20 0 BDADLO CO[C@H]1C[C@@H](CO[NH+]=C(N)[C@@H]2CCCO2)C1 ZINC000871749117 589804235 /nfs/dbraw/zinc/80/42/35/589804235.db2.gz RBNOXBKTZYOSSZ-AEJSXWLSSA-N 1 2 228.292 1.089 20 0 BDADLO CC[C@H](CO[NH+]=C(N)COC1CCC1)OC ZINC000871778851 589815291 /nfs/dbraw/zinc/81/52/91/589815291.db2.gz WBUQNGYGKLVTAN-SECBINFHSA-N 1 2 230.308 1.479 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000871925877 589833105 /nfs/dbraw/zinc/83/31/05/589833105.db2.gz FOLQOUVJNHSWQO-DTWKUNHWSA-N 1 2 249.318 1.777 20 0 BDADLO O=c1c2c([nH]n1CC1CCCCC1)CC[NH2+]C2 ZINC000871943942 589837609 /nfs/dbraw/zinc/83/76/09/589837609.db2.gz CWUPDYCQDFTEMH-NSHDSACASA-N 1 2 235.331 1.374 20 0 BDADLO Cc1cc(F)ccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000871948647 589839425 /nfs/dbraw/zinc/83/94/25/589839425.db2.gz WUXGYSQSZQSDFU-JTQLQIEISA-N 1 2 247.273 1.446 20 0 BDADLO COC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989416 589854568 /nfs/dbraw/zinc/85/45/68/589854568.db2.gz NOLOWNUTGMRKEB-VIFPVBQESA-N 1 2 212.293 1.188 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000872134947 589878584 /nfs/dbraw/zinc/87/85/84/589878584.db2.gz AJPMNLAPTRMXIC-SSDOTTSWSA-N 1 2 236.250 1.763 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312587 589909459 /nfs/dbraw/zinc/90/94/59/589909459.db2.gz KABWRAYJEQOVLT-WZRBSPASSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cc(NC[C@H]2C[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000872720663 589964761 /nfs/dbraw/zinc/96/47/61/589964761.db2.gz WDSSOKWEHLAXIV-HOMQSWHASA-N 1 2 233.315 1.845 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@H+](CN2CCC2=O)C1 ZINC000872804404 589971429 /nfs/dbraw/zinc/97/14/29/589971429.db2.gz JZIUYAZXVBQGKT-SECBINFHSA-N 1 2 236.237 1.451 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@@H+](CN2CCC2=O)C1 ZINC000872804404 589971430 /nfs/dbraw/zinc/97/14/30/589971430.db2.gz JZIUYAZXVBQGKT-SECBINFHSA-N 1 2 236.237 1.451 20 0 BDADLO COCC[C@@H](C)[NH2+]c1ccc(OCCO)cc1 ZINC000124502495 590034745 /nfs/dbraw/zinc/03/47/45/590034745.db2.gz NGKZDWBKMTXWKI-LLVKDONJSA-N 1 2 239.315 1.895 20 0 BDADLO CON(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000873909172 590078195 /nfs/dbraw/zinc/07/81/95/590078195.db2.gz SJSYPVYQEUPODK-JTQLQIEISA-N 1 2 225.292 1.490 20 0 BDADLO O=C([O-])[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000874053526 590087700 /nfs/dbraw/zinc/08/77/00/590087700.db2.gz FEJLHYNONDDRLV-MGCOHNPYSA-N 1 2 245.282 1.287 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@H](O)C2)[nH+]c1 ZINC000124927544 590101860 /nfs/dbraw/zinc/10/18/60/590101860.db2.gz CFSLYOCZYDMGLO-KOLCDFICSA-N 1 2 222.288 1.096 20 0 BDADLO CCCN(CCO)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124925862 590102024 /nfs/dbraw/zinc/10/20/24/590102024.db2.gz IGICWZLYPFVMMN-SNVBAGLBSA-N 1 2 224.304 1.344 20 0 BDADLO C[C@@H](O)c1ccc(N(C)CC(C)(C)O)[nH+]c1 ZINC000124946932 590102868 /nfs/dbraw/zinc/10/28/68/590102868.db2.gz IDHVAFKJXSVGSA-SECBINFHSA-N 1 2 224.304 1.342 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C ZINC000874699646 590124297 /nfs/dbraw/zinc/12/42/97/590124297.db2.gz KVQFGAFRTUGSFB-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C ZINC000874699646 590124299 /nfs/dbraw/zinc/12/42/99/590124299.db2.gz KVQFGAFRTUGSFB-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1CCC1 ZINC000874698389 590124496 /nfs/dbraw/zinc/12/44/96/590124496.db2.gz CHYRAIYKFVYOJP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1CCC1 ZINC000874698389 590124497 /nfs/dbraw/zinc/12/44/97/590124497.db2.gz CHYRAIYKFVYOJP-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CC12CCC2)n1cc[nH+]c1 ZINC000874771305 590127604 /nfs/dbraw/zinc/12/76/04/590127604.db2.gz CVLFREPFFDMXQF-GHMZBOCLSA-N 1 2 233.315 1.893 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874773394 590127981 /nfs/dbraw/zinc/12/79/81/590127981.db2.gz SYPXTZKQYZHNMB-KKZNHRDASA-N 1 2 231.299 1.572 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874773394 590127983 /nfs/dbraw/zinc/12/79/83/590127983.db2.gz SYPXTZKQYZHNMB-KKZNHRDASA-N 1 2 231.299 1.572 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000874779053 590130711 /nfs/dbraw/zinc/13/07/11/590130711.db2.gz WFFJSDLUCYXWHH-CMPLNLGQSA-N 1 2 245.326 1.504 20 0 BDADLO CCn1ncc(NC(=O)Cn2cc[nH+]c2)c1C ZINC000874814377 590140213 /nfs/dbraw/zinc/14/02/13/590140213.db2.gz HZDJQQFSTGZHGH-UHFFFAOYSA-N 1 2 233.275 1.047 20 0 BDADLO CCn1ncc(NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000874815922 590140339 /nfs/dbraw/zinc/14/03/39/590140339.db2.gz QZTIAFZCYUGPLK-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO CCn1ncc(NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000874815922 590140340 /nfs/dbraw/zinc/14/03/40/590140340.db2.gz QZTIAFZCYUGPLK-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO CON(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876208201 590190999 /nfs/dbraw/zinc/19/09/99/590190999.db2.gz ZDTASVWJMRSNLV-LBPRGKRZSA-N 1 2 249.314 1.376 20 0 BDADLO CON(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876208201 590191001 /nfs/dbraw/zinc/19/10/01/590191001.db2.gz ZDTASVWJMRSNLV-LBPRGKRZSA-N 1 2 249.314 1.376 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000876528594 590208871 /nfs/dbraw/zinc/20/88/71/590208871.db2.gz ZLLXPYUHWJNTAL-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000876528594 590208873 /nfs/dbraw/zinc/20/88/73/590208873.db2.gz ZLLXPYUHWJNTAL-SNVBAGLBSA-N 1 2 240.278 1.186 20 0 BDADLO CCCn1cc(C[N@H+](C)C[C@H]2CCCO2)nn1 ZINC000876566608 590217196 /nfs/dbraw/zinc/21/71/96/590217196.db2.gz NMVAXQIKXKYJOL-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@@H+](C)C[C@H]2CCCO2)nn1 ZINC000876566608 590217197 /nfs/dbraw/zinc/21/71/97/590217197.db2.gz NMVAXQIKXKYJOL-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO COc1cnc(F)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000876915487 590256505 /nfs/dbraw/zinc/25/65/05/590256505.db2.gz SYKXCDZCFATQPF-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000877471094 590334973 /nfs/dbraw/zinc/33/49/73/590334973.db2.gz OLXWILMNJMLELD-NXEZZACHSA-N 1 2 211.305 1.860 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000877532606 590349141 /nfs/dbraw/zinc/34/91/41/590349141.db2.gz VRNHKXSPPNVOLW-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000877532606 590349143 /nfs/dbraw/zinc/34/91/43/590349143.db2.gz VRNHKXSPPNVOLW-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877539946 590350748 /nfs/dbraw/zinc/35/07/48/590350748.db2.gz QWFDZGRKSSFGAK-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCOC3)sn1 ZINC000877555445 590356779 /nfs/dbraw/zinc/35/67/79/590356779.db2.gz YIFKRFWGLHZNHW-UHFFFAOYSA-N 1 2 210.302 1.365 20 0 BDADLO CC[C@H]1C[C@@H](C[N@@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632632 590378897 /nfs/dbraw/zinc/37/88/97/590378897.db2.gz ICNCJPZOCCSBIB-AAEUAGOBSA-N 1 2 249.358 1.941 20 0 BDADLO CC[C@H]1C[C@@H](C[N@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632632 590378900 /nfs/dbraw/zinc/37/89/00/590378900.db2.gz ICNCJPZOCCSBIB-AAEUAGOBSA-N 1 2 249.358 1.941 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000877682272 590391105 /nfs/dbraw/zinc/39/11/05/590391105.db2.gz IIVATLKWEHXTGA-DTWKUNHWSA-N 1 2 212.272 1.185 20 0 BDADLO CC1(C)C[C@@H](O)C[N@H+](Cc2cscn2)C1 ZINC000877753745 590417210 /nfs/dbraw/zinc/41/72/10/590417210.db2.gz RMUOHQLEXMAOAT-SNVBAGLBSA-N 1 2 226.345 1.736 20 0 BDADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2cscn2)C1 ZINC000877753745 590417212 /nfs/dbraw/zinc/41/72/12/590417212.db2.gz RMUOHQLEXMAOAT-SNVBAGLBSA-N 1 2 226.345 1.736 20 0 BDADLO CCOC(=O)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000877771318 590421933 /nfs/dbraw/zinc/42/19/33/590421933.db2.gz NYCKZCAVNJNPMA-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000877843989 590432163 /nfs/dbraw/zinc/43/21/63/590432163.db2.gz RGBBGUNXCPMBOG-GFCCVEGCSA-N 1 2 242.282 1.757 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)NCCCn1cc[nH+]c1 ZINC000877949769 590454856 /nfs/dbraw/zinc/45/48/56/590454856.db2.gz OVIMCTXUOBBZLK-STQMWFEESA-N 1 2 247.342 1.826 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCCOC(F)(F)F ZINC000877953567 590456632 /nfs/dbraw/zinc/45/66/32/590456632.db2.gz NYUQEBJBIYJRJP-QMMMGPOBSA-N 1 2 227.226 1.634 20 0 BDADLO C[C@H]1COCC[N@H+]1CCCOC(F)(F)F ZINC000877953567 590456633 /nfs/dbraw/zinc/45/66/33/590456633.db2.gz NYUQEBJBIYJRJP-QMMMGPOBSA-N 1 2 227.226 1.634 20 0 BDADLO COCC[N@H+](C)Cc1scnc1Cl ZINC000877983975 590465920 /nfs/dbraw/zinc/46/59/20/590465920.db2.gz YGMKMKBGGWLICD-UHFFFAOYSA-N 1 2 220.725 1.875 20 0 BDADLO COCC[N@@H+](C)Cc1scnc1Cl ZINC000877983975 590465922 /nfs/dbraw/zinc/46/59/22/590465922.db2.gz YGMKMKBGGWLICD-UHFFFAOYSA-N 1 2 220.725 1.875 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC2(CCC2)CO1 ZINC000878046806 590480059 /nfs/dbraw/zinc/48/00/59/590480059.db2.gz KDSXEFGYAAZOQD-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC2(CCC2)CO1 ZINC000878046806 590480062 /nfs/dbraw/zinc/48/00/62/590480062.db2.gz KDSXEFGYAAZOQD-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nccn1CC(F)F ZINC000878133103 590503628 /nfs/dbraw/zinc/50/36/28/590503628.db2.gz FXJIXVDUTLVZIS-SECBINFHSA-N 1 2 247.289 1.351 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nccn1CC(F)F ZINC000878133103 590503631 /nfs/dbraw/zinc/50/36/31/590503631.db2.gz FXJIXVDUTLVZIS-SECBINFHSA-N 1 2 247.289 1.351 20 0 BDADLO COC(=O)C[N@H+](CC[C@@H](O)C(C)C)C1CC1 ZINC000878174221 590515112 /nfs/dbraw/zinc/51/51/12/590515112.db2.gz LIXPUIZRKHIOMC-LLVKDONJSA-N 1 2 229.320 1.031 20 0 BDADLO COC(=O)C[N@@H+](CC[C@@H](O)C(C)C)C1CC1 ZINC000878174221 590515113 /nfs/dbraw/zinc/51/51/13/590515113.db2.gz LIXPUIZRKHIOMC-LLVKDONJSA-N 1 2 229.320 1.031 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@H](O)C(C)C)C(C)(C)C ZINC000878266229 590531501 /nfs/dbraw/zinc/53/15/01/590531501.db2.gz ZWXMPNKGBLUMAM-QWRGUYRKSA-N 1 2 245.363 1.571 20 0 BDADLO Cc1conc1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000878264538 590531778 /nfs/dbraw/zinc/53/17/78/590531778.db2.gz FYOGIAXEOGXQCF-UHFFFAOYSA-N 1 2 237.303 1.261 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@@H](O)C(C)C)C(C)(C)C ZINC000878266227 590531907 /nfs/dbraw/zinc/53/19/07/590531907.db2.gz ZWXMPNKGBLUMAM-MNOVXSKESA-N 1 2 245.363 1.571 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2csnn2)CC1 ZINC000127037771 590536173 /nfs/dbraw/zinc/53/61/73/590536173.db2.gz CADGMPHPCCZHTE-UHFFFAOYSA-N 1 2 241.316 1.066 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000878315040 590542324 /nfs/dbraw/zinc/54/23/24/590542324.db2.gz DPBLRXJGYYPHBJ-JTQLQIEISA-N 1 2 211.309 1.249 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000878315040 590542325 /nfs/dbraw/zinc/54/23/25/590542325.db2.gz DPBLRXJGYYPHBJ-JTQLQIEISA-N 1 2 211.309 1.249 20 0 BDADLO COC(=O)[C@]1([NH2+]C[C@H](C)C(C)(C)C)CCOC1 ZINC000878333656 590548453 /nfs/dbraw/zinc/54/84/53/590548453.db2.gz AHAXEBPXBPUVBN-GWCFXTLKSA-N 1 2 243.347 1.590 20 0 BDADLO C=C/C=C\CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493889 590579180 /nfs/dbraw/zinc/57/91/80/590579180.db2.gz WZGGAORSXDNOST-XOULXFPDSA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C\CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493889 590579183 /nfs/dbraw/zinc/57/91/83/590579183.db2.gz WZGGAORSXDNOST-XOULXFPDSA-N 1 2 217.259 1.821 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000878492846 590580116 /nfs/dbraw/zinc/58/01/16/590580116.db2.gz SVCMVPVAHSDWPE-UMNHJUIQSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000878492846 590580118 /nfs/dbraw/zinc/58/01/18/590580118.db2.gz SVCMVPVAHSDWPE-UMNHJUIQSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000878533973 590587866 /nfs/dbraw/zinc/58/78/66/590587866.db2.gz CJOBEEWMVOIMQO-MFKMUULPSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000878533973 590587867 /nfs/dbraw/zinc/58/78/67/590587867.db2.gz CJOBEEWMVOIMQO-MFKMUULPSA-N 1 2 236.315 1.982 20 0 BDADLO C=C/C=C\CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622220 590597251 /nfs/dbraw/zinc/59/72/51/590597251.db2.gz MSTFXQFMSKMWGY-DLRQAJBASA-N 1 2 248.330 1.822 20 0 BDADLO C=C/C=C\CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622220 590597253 /nfs/dbraw/zinc/59/72/53/590597253.db2.gz MSTFXQFMSKMWGY-DLRQAJBASA-N 1 2 248.330 1.822 20 0 BDADLO C[C@]1([NH2+]C[C@H]2CCC3(CCC3)O2)CCOC1=O ZINC000878631378 590597586 /nfs/dbraw/zinc/59/75/86/590597586.db2.gz FROXEFKSFLEJSK-PWSUYJOCSA-N 1 2 239.315 1.383 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000878645974 590601318 /nfs/dbraw/zinc/60/13/18/590601318.db2.gz QWJNGJXCRUHVOW-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO Cc1conc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000878645974 590601319 /nfs/dbraw/zinc/60/13/19/590601319.db2.gz QWJNGJXCRUHVOW-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO CC[C@H](C)N1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC000878684714 590609175 /nfs/dbraw/zinc/60/91/75/590609175.db2.gz YMRWCVCIXYZHGG-UONOGXRCSA-N 1 2 242.407 1.810 20 0 BDADLO Cn1ncc2c1CCC[N@H+](Cc1cnc[nH]1)C2 ZINC000878708636 590613974 /nfs/dbraw/zinc/61/39/74/590613974.db2.gz UYZKDRXSEQCOJQ-UHFFFAOYSA-N 1 2 231.303 1.092 20 0 BDADLO Cn1ncc2c1CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC000878708636 590613975 /nfs/dbraw/zinc/61/39/75/590613975.db2.gz UYZKDRXSEQCOJQ-UHFFFAOYSA-N 1 2 231.303 1.092 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000878719730 590616128 /nfs/dbraw/zinc/61/61/28/590616128.db2.gz BIMZWTLAVKZINQ-LLVKDONJSA-N 1 2 249.314 1.262 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000878719730 590616130 /nfs/dbraw/zinc/61/61/30/590616130.db2.gz BIMZWTLAVKZINQ-LLVKDONJSA-N 1 2 249.314 1.262 20 0 BDADLO CN1CCC[C@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878790994 590623617 /nfs/dbraw/zinc/62/36/17/590623617.db2.gz AKUCEPLQSJBZEM-JTQLQIEISA-N 1 2 228.723 1.436 20 0 BDADLO CN1CCC[C@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878790994 590623619 /nfs/dbraw/zinc/62/36/19/590623619.db2.gz AKUCEPLQSJBZEM-JTQLQIEISA-N 1 2 228.723 1.436 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC=C(Cl)C1 ZINC000878793419 590624386 /nfs/dbraw/zinc/62/43/86/590624386.db2.gz MHAOFGVJFAGCOU-QMMMGPOBSA-N 1 2 228.723 1.482 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC=C(Cl)C1 ZINC000878793419 590624388 /nfs/dbraw/zinc/62/43/88/590624388.db2.gz MHAOFGVJFAGCOU-QMMMGPOBSA-N 1 2 228.723 1.482 20 0 BDADLO C=C/C=C\CC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000878811492 590626503 /nfs/dbraw/zinc/62/65/03/590626503.db2.gz GTLJWXMZOIZWIF-WSNITJDQSA-N 1 2 247.342 1.926 20 0 BDADLO C=C/C=C\CC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000878811492 590626505 /nfs/dbraw/zinc/62/65/05/590626505.db2.gz GTLJWXMZOIZWIF-WSNITJDQSA-N 1 2 247.342 1.926 20 0 BDADLO OC[C@@H]1CC[C@@H](CO)[NH+]1C/C(Cl)=C\Cl ZINC000878883169 590640443 /nfs/dbraw/zinc/64/04/43/590640443.db2.gz NTXIRXLVMBTCER-LFTMGRLWSA-N 1 2 240.130 1.123 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000878979621 590666374 /nfs/dbraw/zinc/66/63/74/590666374.db2.gz ZHNAIKMDKMTQHQ-VIFPVBQESA-N 1 2 243.257 1.853 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878979621 590666377 /nfs/dbraw/zinc/66/63/77/590666377.db2.gz ZHNAIKMDKMTQHQ-VIFPVBQESA-N 1 2 243.257 1.853 20 0 BDADLO COC(C[N@@H+]1CCC[C@H]1c1ncccn1)OC ZINC000878979039 590666988 /nfs/dbraw/zinc/66/69/88/590666988.db2.gz UHAMLWFIRRLXRA-JTQLQIEISA-N 1 2 237.303 1.232 20 0 BDADLO COC(C[N@H+]1CCC[C@H]1c1ncccn1)OC ZINC000878979039 590666990 /nfs/dbraw/zinc/66/69/90/590666990.db2.gz UHAMLWFIRRLXRA-JTQLQIEISA-N 1 2 237.303 1.232 20 0 BDADLO O=C(COC1CC1)NCc1ccn2cc[nH+]c2c1 ZINC000879172075 590707177 /nfs/dbraw/zinc/70/71/77/590707177.db2.gz RKBXNUNWECYNFL-UHFFFAOYSA-N 1 2 245.282 1.130 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)n1 ZINC000879317876 590738602 /nfs/dbraw/zinc/73/86/02/590738602.db2.gz MYXZSLBNOZYDQL-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@H+]2C[C@H](OC)CC[C@H]2C)n1 ZINC000879317876 590738603 /nfs/dbraw/zinc/73/86/03/590738603.db2.gz MYXZSLBNOZYDQL-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)OCC(C)C)C1 ZINC000879322735 590741671 /nfs/dbraw/zinc/74/16/71/590741671.db2.gz VMTYMAKELNNVJZ-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)OCC(C)C)C1 ZINC000879322735 590741672 /nfs/dbraw/zinc/74/16/72/590741672.db2.gz VMTYMAKELNNVJZ-VXGBXAGGSA-N 1 2 243.347 1.685 20 0 BDADLO O=C(COC1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000879372240 590754848 /nfs/dbraw/zinc/75/48/48/590754848.db2.gz GQYBFIAWOBPIQI-SNVBAGLBSA-N 1 2 235.287 1.252 20 0 BDADLO Cc1nonc1C[NH+]1CCC(C)(F)CC1 ZINC000879382303 590757819 /nfs/dbraw/zinc/75/78/19/590757819.db2.gz UZQDDEZXMRNAPA-UHFFFAOYSA-N 1 2 213.256 1.702 20 0 BDADLO COCCC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501171 590783343 /nfs/dbraw/zinc/78/33/43/590783343.db2.gz KJDKBQMGGIMWRJ-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO COCCC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501171 590783344 /nfs/dbraw/zinc/78/33/44/590783344.db2.gz KJDKBQMGGIMWRJ-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879615822 590828323 /nfs/dbraw/zinc/82/83/23/590828323.db2.gz BNLUFMCHHGTERM-SNVBAGLBSA-N 1 2 243.347 1.421 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879615822 590828326 /nfs/dbraw/zinc/82/83/26/590828326.db2.gz BNLUFMCHHGTERM-SNVBAGLBSA-N 1 2 243.347 1.421 20 0 BDADLO O=C1OCC[C@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879668264 590845425 /nfs/dbraw/zinc/84/54/25/590845425.db2.gz NYUSHOZFWZEXOM-IWSPIJDZSA-N 1 2 249.232 1.789 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2OC3CCC2CC3)C1 ZINC000879800025 590876704 /nfs/dbraw/zinc/87/67/04/590876704.db2.gz NVVJWWVJKUABSI-LPQWGVIOSA-N 1 2 211.305 1.970 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2OC3CCC2CC3)C1 ZINC000879800025 590876699 /nfs/dbraw/zinc/87/66/99/590876699.db2.gz NVVJWWVJKUABSI-LPQWGVIOSA-N 1 2 211.305 1.970 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](O)C(C)C ZINC000879980552 590901898 /nfs/dbraw/zinc/90/18/98/590901898.db2.gz IVAPPSGYEQOVLH-NEPJUHHUSA-N 1 2 243.347 1.325 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCC[C@@H](C)O ZINC000879983154 590902346 /nfs/dbraw/zinc/90/23/46/590902346.db2.gz VFKKFXIJTUKUTP-PWSUYJOCSA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)NCc1c[nH+]c[nH]1 ZINC000879980104 590902767 /nfs/dbraw/zinc/90/27/67/590902767.db2.gz FXQMKMWOSRLNPA-NSHDSACASA-N 1 2 237.303 1.231 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)NCc1c[nH]c[nH+]1 ZINC000879980104 590902771 /nfs/dbraw/zinc/90/27/71/590902771.db2.gz FXQMKMWOSRLNPA-NSHDSACASA-N 1 2 237.303 1.231 20 0 BDADLO COC(=O)[C@H](Cc1cncs1)[NH2+]CCCF ZINC000879990502 590905417 /nfs/dbraw/zinc/90/54/17/590905417.db2.gz DLUGJDNQMXRWLA-VIFPVBQESA-N 1 2 246.307 1.176 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880065966 590913726 /nfs/dbraw/zinc/91/37/26/590913726.db2.gz ZGIUTROYTRVUSP-RKDXNWHRSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)C[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880065966 590913727 /nfs/dbraw/zinc/91/37/27/590913727.db2.gz ZGIUTROYTRVUSP-RKDXNWHRSA-N 1 2 239.237 1.617 20 0 BDADLO C[C@@H]1C[N@H+](CCF)CC[C@H](C(F)(F)F)O1 ZINC000880060760 590915147 /nfs/dbraw/zinc/91/51/47/590915147.db2.gz UCKDISQFTPXPSS-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)CC[C@H](C(F)(F)F)O1 ZINC000880060760 590915150 /nfs/dbraw/zinc/91/51/50/590915150.db2.gz UCKDISQFTPXPSS-HTQZYQBOSA-N 1 2 229.217 1.998 20 0 BDADLO CC(=O)c1cc(C[NH+]2CCC(F)CC2)on1 ZINC000880239364 590972265 /nfs/dbraw/zinc/97/22/65/590972265.db2.gz FMZGNGMPACIPET-UHFFFAOYSA-N 1 2 226.251 1.811 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](CF)C2)n1 ZINC000880293967 590988359 /nfs/dbraw/zinc/98/83/59/590988359.db2.gz GKFAVKRYZAXNLT-DTWKUNHWSA-N 1 2 243.282 1.568 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](CF)C2)n1 ZINC000880293967 590988362 /nfs/dbraw/zinc/98/83/62/590988362.db2.gz GKFAVKRYZAXNLT-DTWKUNHWSA-N 1 2 243.282 1.568 20 0 BDADLO Cn1cc(C[NH2+]C2(c3ncccn3)CCC2)cn1 ZINC000880365061 591010645 /nfs/dbraw/zinc/01/06/45/591010645.db2.gz DDHXZPVZONTEQN-UHFFFAOYSA-N 1 2 243.314 1.379 20 0 BDADLO C[C@H]1c2sccc2CC[N@H+]1Cc1ncnn1C ZINC000880378452 591018296 /nfs/dbraw/zinc/01/82/96/591018296.db2.gz ULKKPJMSSJMCEJ-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ncnn1C ZINC000880378452 591018298 /nfs/dbraw/zinc/01/82/98/591018298.db2.gz ULKKPJMSSJMCEJ-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880434360 591036178 /nfs/dbraw/zinc/03/61/78/591036178.db2.gz BVTMDLIQYNIIOU-VHSXEESVSA-N 1 2 237.290 1.767 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880434360 591036182 /nfs/dbraw/zinc/03/61/82/591036182.db2.gz BVTMDLIQYNIIOU-VHSXEESVSA-N 1 2 237.290 1.767 20 0 BDADLO Cc1nocc1NC(=O)CCn1cc[nH+]c1 ZINC000880449779 591047779 /nfs/dbraw/zinc/04/77/79/591047779.db2.gz LYBACPUOGOPKCD-UHFFFAOYSA-N 1 2 220.232 1.208 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880486198 591060235 /nfs/dbraw/zinc/06/02/35/591060235.db2.gz LZHCOAWTNOIDHK-LBPRGKRZSA-N 1 2 221.304 1.197 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880486198 591060238 /nfs/dbraw/zinc/06/02/38/591060238.db2.gz LZHCOAWTNOIDHK-LBPRGKRZSA-N 1 2 221.304 1.197 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880486196 591060606 /nfs/dbraw/zinc/06/06/06/591060606.db2.gz LZHCOAWTNOIDHK-GFCCVEGCSA-N 1 2 221.304 1.197 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880486196 591060610 /nfs/dbraw/zinc/06/06/10/591060610.db2.gz LZHCOAWTNOIDHK-GFCCVEGCSA-N 1 2 221.304 1.197 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3ncncc3C2)s1 ZINC000880595836 591104849 /nfs/dbraw/zinc/10/48/49/591104849.db2.gz ZAVNCAHZBQGETR-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3ncncc3C2)s1 ZINC000880595836 591104854 /nfs/dbraw/zinc/10/48/54/591104854.db2.gz ZAVNCAHZBQGETR-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1oncc1C[N@@H+]1CCc2ncncc2C1 ZINC000880597543 591107006 /nfs/dbraw/zinc/10/70/06/591107006.db2.gz YRIYHAMKQBTQGN-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1oncc1C[N@H+]1CCc2ncncc2C1 ZINC000880597543 591107007 /nfs/dbraw/zinc/10/70/07/591107007.db2.gz YRIYHAMKQBTQGN-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2ncncc2C1 ZINC000880598857 591108213 /nfs/dbraw/zinc/10/82/13/591108213.db2.gz ZSTVAUQTXGYAOH-UHFFFAOYSA-N 1 2 241.298 1.133 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2ncncc2C1 ZINC000880598857 591108216 /nfs/dbraw/zinc/10/82/16/591108216.db2.gz ZSTVAUQTXGYAOH-UHFFFAOYSA-N 1 2 241.298 1.133 20 0 BDADLO c1[nH]cc(Cn2cc([C@H]3CCCCO3)nn2)[nH+]1 ZINC000881289595 591181218 /nfs/dbraw/zinc/18/12/18/591181218.db2.gz OTNPRMRWLIXNIE-LLVKDONJSA-N 1 2 233.275 1.291 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc(C2(O)CCC2)nn1 ZINC000881312045 591186918 /nfs/dbraw/zinc/18/69/18/591186918.db2.gz HBLUFIBCHRRVGE-UHFFFAOYSA-N 1 2 244.298 1.401 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000881480918 591210610 /nfs/dbraw/zinc/21/06/10/591210610.db2.gz ACCLGSDRNAPSDY-NXEZZACHSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000881480921 591211706 /nfs/dbraw/zinc/21/17/06/591211706.db2.gz ACCLGSDRNAPSDY-ZJUUUORDSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@H]1CCN1C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000881481113 591211969 /nfs/dbraw/zinc/21/19/69/591211969.db2.gz HZALTHXDEVZASI-VIFPVBQESA-N 1 2 247.273 1.637 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C=CCC1 ZINC000881495907 591218809 /nfs/dbraw/zinc/21/88/09/591218809.db2.gz BGMIZWLULQHJAR-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO C=C/C=C/CCNC(=O)Cc1c[nH+]cn1C ZINC000881566605 591241425 /nfs/dbraw/zinc/24/14/25/591241425.db2.gz BSUFQGZWJPWVTQ-SNAWJCMRSA-N 1 2 219.288 1.211 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2CCCO2)c1C ZINC000881733876 591267953 /nfs/dbraw/zinc/26/79/53/591267953.db2.gz BQBCCMZXVUDWMX-SNVBAGLBSA-N 1 2 207.277 1.684 20 0 BDADLO Cc1[nH+]cnc(NCCNc2ncccn2)c1C ZINC000881802458 591271933 /nfs/dbraw/zinc/27/19/33/591271933.db2.gz OYOGBBSETIHEND-UHFFFAOYSA-N 1 2 244.302 1.407 20 0 BDADLO Cc1nccc(CNc2nc[nH+]c(C)c2C)n1 ZINC000881831008 591273694 /nfs/dbraw/zinc/27/36/94/591273694.db2.gz LCUCXKKZGFPCAS-UHFFFAOYSA-N 1 2 229.287 1.804 20 0 BDADLO CC(C)C[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000881866611 591274995 /nfs/dbraw/zinc/27/49/95/591274995.db2.gz QTOANQAMGYYTER-LLVKDONJSA-N 1 2 224.304 1.393 20 0 BDADLO Cc1[nH+]cnc(NC[C@](C)(O)C2CC2)c1C ZINC000881975881 591284960 /nfs/dbraw/zinc/28/49/60/591284960.db2.gz VXGPCXLNVAJAFB-LBPRGKRZSA-N 1 2 221.304 1.666 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)CC[S@@](C)=O)c1C ZINC000882032569 591288190 /nfs/dbraw/zinc/28/81/90/591288190.db2.gz LLIJJFIEAYAGES-VPTHRUTESA-N 1 2 241.360 1.662 20 0 BDADLO CCC1(O)CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000882027028 591289073 /nfs/dbraw/zinc/28/90/73/591289073.db2.gz FLGIHVSRSIRDFQ-UHFFFAOYSA-N 1 2 235.331 1.835 20 0 BDADLO Cc1[nH+]cnc(NCc2ccon2)c1C ZINC000882049302 591291775 /nfs/dbraw/zinc/29/17/75/591291775.db2.gz PMFDZZVKADZQFF-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO COC(=O)[C@@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882090596 591295819 /nfs/dbraw/zinc/29/58/19/591295819.db2.gz RRSVSSPHKHKZAH-ZDUSSCGKSA-N 1 2 249.314 1.483 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882096865 591297569 /nfs/dbraw/zinc/29/75/69/591297569.db2.gz PPISZFHTPOZBIH-NSHDSACASA-N 1 2 248.330 1.516 20 0 BDADLO CC(=O)OCCCSCc1cn(C)c[nH+]1 ZINC000882160247 591309118 /nfs/dbraw/zinc/30/91/18/591309118.db2.gz NCLMSJICNSJVTP-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)C[C@H](C)O)c1C ZINC000882174585 591311095 /nfs/dbraw/zinc/31/10/95/591311095.db2.gz IKBRMEXZWBLLHP-SFYZADRCSA-N 1 2 209.293 1.665 20 0 BDADLO CC1(C)OCC(Nc2cc[nH+]cc2F)CO1 ZINC000882184442 591311751 /nfs/dbraw/zinc/31/17/51/591311751.db2.gz OWQNOFGLBQKGHF-UHFFFAOYSA-N 1 2 226.251 1.206 20 0 BDADLO CC[C@@H](CNc1nc[nH+]c(C)c1C)OC ZINC000882385126 591341501 /nfs/dbraw/zinc/34/15/01/591341501.db2.gz CNJWARNLDFMRMZ-JTQLQIEISA-N 1 2 209.293 1.930 20 0 BDADLO COC[C@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882408849 591343910 /nfs/dbraw/zinc/34/39/10/591343910.db2.gz SMUHJYHIIIZNKP-CYBMUJFWSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NCC2(CC(N)=O)CC2)c1C ZINC000882471265 591353808 /nfs/dbraw/zinc/35/38/08/591353808.db2.gz NHRACBYJIYTMEE-UHFFFAOYSA-N 1 2 234.303 1.161 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H](C)C[C@H](CO)C2)c1C ZINC000882471372 591354090 /nfs/dbraw/zinc/35/40/90/591354090.db2.gz PZDRXQFSWBKEKF-SKDRFNHKSA-N 1 2 235.331 1.548 20 0 BDADLO CCC[N@H+](CCC(C)=O)CC(=O)OCC ZINC000129699159 591379783 /nfs/dbraw/zinc/37/97/83/591379783.db2.gz UJLCFHRTJALXNM-UHFFFAOYSA-N 1 2 215.293 1.241 20 0 BDADLO CCC[N@@H+](CCC(C)=O)CC(=O)OCC ZINC000129699159 591379787 /nfs/dbraw/zinc/37/97/87/591379787.db2.gz UJLCFHRTJALXNM-UHFFFAOYSA-N 1 2 215.293 1.241 20 0 BDADLO Cc1[nH+]cnc(NCC[C@]2(O)CCOC2)c1C ZINC000882526910 591381971 /nfs/dbraw/zinc/38/19/71/591381971.db2.gz SVOVHSFEZNDJNI-LBPRGKRZSA-N 1 2 237.303 1.047 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)c2n[nH]c(=O)n2C)c1C ZINC000882542400 591388893 /nfs/dbraw/zinc/38/88/93/591388893.db2.gz UPMNUWMNNXRDFJ-MRVPVSSYSA-N 1 2 248.290 1.101 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)c2nccc(N)n2)c1C ZINC000882566385 591391744 /nfs/dbraw/zinc/39/17/44/591391744.db2.gz JQFVHEKQROKOIL-SECBINFHSA-N 1 2 244.302 1.639 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H](C)C(=O)[C@H](C)C2)c1C ZINC000882609735 591399682 /nfs/dbraw/zinc/39/96/82/591399682.db2.gz XRXSOMWAOWEJGM-RKDXNWHRSA-N 1 2 233.315 1.755 20 0 BDADLO C[C@H](Nc1ncc(C=O)cn1)c1[nH+]ccn1C ZINC000882625116 591402807 /nfs/dbraw/zinc/40/28/07/591402807.db2.gz AHCVSCCZKZNCEK-QMMMGPOBSA-N 1 2 231.259 1.196 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)[C@H]2CCCO2)c1C ZINC000882650553 591406704 /nfs/dbraw/zinc/40/67/04/591406704.db2.gz CBAMHZJNTMXMJL-GHMZBOCLSA-N 1 2 237.303 1.045 20 0 BDADLO COC(C)(C)CCNc1cc(CO)cc[nH+]1 ZINC000882691599 591413035 /nfs/dbraw/zinc/41/30/35/591413035.db2.gz SAHHYAFHOPCSCM-UHFFFAOYSA-N 1 2 224.304 1.801 20 0 BDADLO CC1(C)C[C@H](O)CN(c2cc(CO)cc[nH+]2)C1 ZINC000882703081 591413279 /nfs/dbraw/zinc/41/32/79/591413279.db2.gz RVRAAMPRKDNMCM-NSHDSACASA-N 1 2 236.315 1.171 20 0 BDADLO CCOC1CC2(C[C@@H]2Nc2cc(CO)cc[nH+]2)C1 ZINC000882720230 591420370 /nfs/dbraw/zinc/42/03/70/591420370.db2.gz OEPXZYMGEFFGPV-LXVYMNJGSA-N 1 2 248.326 1.943 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1C=CCC1 ZINC000882757134 591429966 /nfs/dbraw/zinc/42/99/66/591429966.db2.gz YLHRBWDCOXEZSF-QMMMGPOBSA-N 1 2 244.302 1.324 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](CF)C1 ZINC000882839101 591450386 /nfs/dbraw/zinc/45/03/86/591450386.db2.gz HEBVPOYWWHDDPT-SECBINFHSA-N 1 2 225.267 1.589 20 0 BDADLO C[C@H](O)c1ccc(N2CCC[C@@H](CO)C2)[nH+]c1 ZINC000213230614 591455903 /nfs/dbraw/zinc/45/59/03/591455903.db2.gz QTAVZVIUEUYUJO-WDEREUQCSA-N 1 2 236.315 1.344 20 0 BDADLO C[C@@H](O)c1ccc(N(C)Cc2cnn(C)c2)[nH+]c1 ZINC000213251392 591456658 /nfs/dbraw/zinc/45/66/58/591456658.db2.gz NRXQWPDXJZHGEG-SNVBAGLBSA-N 1 2 246.314 1.505 20 0 BDADLO Cc1nc(NC[C@@H](CO)Cc2ccoc2)cc[nH+]1 ZINC000882866420 591456800 /nfs/dbraw/zinc/45/68/00/591456800.db2.gz MACGLTMFJGFGGZ-LBPRGKRZSA-N 1 2 247.298 1.641 20 0 BDADLO CCCNc1cc(N(CCC)CCO)nc[nH+]1 ZINC000130322394 591459011 /nfs/dbraw/zinc/45/90/11/591459011.db2.gz PGDRLDWYJXHZIV-UHFFFAOYSA-N 1 2 238.335 1.507 20 0 BDADLO CCCNc1cc(N(CCC)CCO)[nH+]cn1 ZINC000130322394 591459015 /nfs/dbraw/zinc/45/90/15/591459015.db2.gz PGDRLDWYJXHZIV-UHFFFAOYSA-N 1 2 238.335 1.507 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cnc(C2CC2)o1 ZINC000882981290 591491084 /nfs/dbraw/zinc/49/10/84/591491084.db2.gz HHVIEMSFDRBPPM-SSDOTTSWSA-N 1 2 239.275 1.585 20 0 BDADLO CC(C)[C@@H](O)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000882990298 591498314 /nfs/dbraw/zinc/49/83/14/591498314.db2.gz FWIASPIVASXKCD-VHSXEESVSA-N 1 2 230.308 1.071 20 0 BDADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCF ZINC000130702084 591503223 /nfs/dbraw/zinc/50/32/23/591503223.db2.gz MYRYGWOJPLCKTJ-SECBINFHSA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCF ZINC000130702084 591503226 /nfs/dbraw/zinc/50/32/26/591503226.db2.gz MYRYGWOJPLCKTJ-SECBINFHSA-N 1 2 217.284 1.762 20 0 BDADLO C=C/C=C/CCn1cc[nH+]c1CN1CCOCC1 ZINC000883003444 591506597 /nfs/dbraw/zinc/50/65/97/591506597.db2.gz QCAYHVAHBIZADN-ONEGZZNKSA-N 1 2 247.342 1.848 20 0 BDADLO NC(CO)=[NH+]OCc1cccc(C(F)(F)F)c1 ZINC000883009742 591509242 /nfs/dbraw/zinc/50/92/42/591509242.db2.gz RTVDIYUMZWQDDX-UHFFFAOYSA-N 1 2 248.204 1.696 20 0 BDADLO Cc1ccccc1CCCO[NH+]=C(N)CO ZINC000883011370 591511659 /nfs/dbraw/zinc/51/16/59/591511659.db2.gz SGIZSTFIZNJOSY-UHFFFAOYSA-N 1 2 222.288 1.418 20 0 BDADLO Cc1cccc(CCCO[NH+]=C(N)CO)c1 ZINC000883012190 591512531 /nfs/dbraw/zinc/51/25/31/591512531.db2.gz XDDBIVLXJVCPHU-UHFFFAOYSA-N 1 2 222.288 1.418 20 0 BDADLO CC(C)(C)c1cccc(CO[NH+]=C(N)CO)c1 ZINC000883013128 591514094 /nfs/dbraw/zinc/51/40/94/591514094.db2.gz GCQCJUKFAWEXQC-UHFFFAOYSA-N 1 2 236.315 1.975 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000883048391 591527928 /nfs/dbraw/zinc/52/79/28/591527928.db2.gz NOXRAYNBLUKCGP-JTQLQIEISA-N 1 2 222.288 1.958 20 0 BDADLO Cc1nc([C@@H](C)O[NH+]=C(N)c2ccccc2)no1 ZINC000883048856 591528423 /nfs/dbraw/zinc/52/84/23/591528423.db2.gz XEVKNHBFLILBOV-MRVPVSSYSA-N 1 2 246.270 1.986 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC[C@H]1C=CCC1 ZINC000883068520 591534153 /nfs/dbraw/zinc/53/41/53/591534153.db2.gz XTTYAOWFRJEKHX-NSHDSACASA-N 1 2 234.303 1.149 20 0 BDADLO O=c1[nH]c2ccc(C[NH2+]C(CF)CF)cc2[nH]1 ZINC000883132073 591546535 /nfs/dbraw/zinc/54/65/35/591546535.db2.gz FDVRURCWHFBMSK-UHFFFAOYSA-N 1 2 241.241 1.666 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)no1 ZINC000883140360 591549951 /nfs/dbraw/zinc/54/99/51/591549951.db2.gz RBMFKPVXYZLIPV-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO CCC[C@H](OC)c1noc([C@@H]([NH3+])COC)n1 ZINC000131171188 591565175 /nfs/dbraw/zinc/56/51/75/591565175.db2.gz PICIMSUVDCMKCN-YUMQZZPRSA-N 1 2 229.280 1.203 20 0 BDADLO CCn1ncc(CNCc2[nH]cc(C(C)C)[nH+]2)n1 ZINC000883185116 591565280 /nfs/dbraw/zinc/56/52/80/591565280.db2.gz OGFTWUYKDBKPAW-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@H]1C=CCC1 ZINC000883652152 591710585 /nfs/dbraw/zinc/71/05/85/591710585.db2.gz DLWGSDRTBXRUMG-JTQLQIEISA-N 1 2 234.303 1.186 20 0 BDADLO C=C/C=C/CCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000883669906 591714835 /nfs/dbraw/zinc/71/48/35/591714835.db2.gz TYPZYYXBWJKXNI-UFFNRZRYSA-N 1 2 246.314 1.759 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000883844234 591754888 /nfs/dbraw/zinc/75/48/88/591754888.db2.gz ATXNROKDCGREAL-GHMZBOCLSA-N 1 2 246.314 1.073 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C2CCCC2)CCO1 ZINC000800084672 591819053 /nfs/dbraw/zinc/81/90/53/591819053.db2.gz CIFSYEZIVDOEPR-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C2CCCC2)CCO1 ZINC000800084672 591819056 /nfs/dbraw/zinc/81/90/56/591819056.db2.gz CIFSYEZIVDOEPR-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CC(=O)CCC(=O)OCCCn1cc[nH+]c1 ZINC000800097832 591821741 /nfs/dbraw/zinc/82/17/41/591821741.db2.gz ZPAOFAHQXKWEEF-UHFFFAOYSA-N 1 2 224.260 1.186 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)CC2(C)CC2)CCO1 ZINC000800214412 591841109 /nfs/dbraw/zinc/84/11/09/591841109.db2.gz KZNQLVYSHGROSV-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)CC2(C)CC2)CCO1 ZINC000800214412 591841112 /nfs/dbraw/zinc/84/11/12/591841112.db2.gz KZNQLVYSHGROSV-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCCF ZINC000884083307 591846374 /nfs/dbraw/zinc/84/63/74/591846374.db2.gz KDHGUVMZAVLVFH-SNVBAGLBSA-N 1 2 242.298 1.273 20 0 BDADLO COCCO[NH+]=C(N)c1ccccc1C ZINC000884084600 591847528 /nfs/dbraw/zinc/84/75/28/591847528.db2.gz WCVINPGYBXZLCR-UHFFFAOYSA-N 1 2 208.261 1.488 20 0 BDADLO CCc1nc(NCCc2csc(N)n2)cc[nH+]1 ZINC000884504936 591960020 /nfs/dbraw/zinc/96/00/20/591960020.db2.gz VCOSOGUXZLTHOL-UHFFFAOYSA-N 1 2 249.343 1.732 20 0 BDADLO CCc1nc(NCCCc2nncn2C)cc[nH+]1 ZINC000884512902 591961771 /nfs/dbraw/zinc/96/17/71/591961771.db2.gz TUJOPKHORYTPBD-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BDADLO CCc1nc(N(CC)[C@@H](C)CO)cc[nH+]1 ZINC000884516324 591963026 /nfs/dbraw/zinc/96/30/26/591963026.db2.gz HTSNIAVSGRPEJS-VIFPVBQESA-N 1 2 209.293 1.246 20 0 BDADLO CCc1nc(N[C@H](C)Cc2cnn(C)c2)cc[nH+]1 ZINC000884522992 591965883 /nfs/dbraw/zinc/96/58/83/591965883.db2.gz NADUHDNYEGEWSL-SNVBAGLBSA-N 1 2 245.330 1.816 20 0 BDADLO CCc1nc(N2CCC[C@H](CO)[C@H]2C)cc[nH+]1 ZINC000884532070 591969796 /nfs/dbraw/zinc/96/97/96/591969796.db2.gz BKLNIAIGUWJAGU-GHMZBOCLSA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000884546631 591974906 /nfs/dbraw/zinc/97/49/06/591974906.db2.gz POGHMYRPDFDFDC-SECBINFHSA-N 1 2 207.277 1.000 20 0 BDADLO CCc1nc(N2CC[C@@H](O)C2(C)C)cc[nH+]1 ZINC000884558790 591979304 /nfs/dbraw/zinc/97/93/04/591979304.db2.gz DSKWMFLSJFZTIG-SECBINFHSA-N 1 2 221.304 1.389 20 0 BDADLO O=C(/C=C/c1cccs1)NCCc1[nH]cc[nH+]1 ZINC000135070037 591981983 /nfs/dbraw/zinc/98/19/83/591981983.db2.gz VYMNXSCAKIVGJW-ONEGZZNKSA-N 1 2 247.323 1.843 20 0 BDADLO CCc1nc(N2CCC([C@@H](C)O)CC2)cc[nH+]1 ZINC000884572263 591984246 /nfs/dbraw/zinc/98/42/46/591984246.db2.gz JSCJYNBVKFJIAB-SNVBAGLBSA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc[nH+]1 ZINC000884570635 591984483 /nfs/dbraw/zinc/98/44/83/591984483.db2.gz UJNUEZCIUGGRNS-HAOVPJPFSA-N 1 2 245.326 1.874 20 0 BDADLO Cl/C=C/C[N@@H+]1CCC2(C1)OCCO2 ZINC000135188832 591995110 /nfs/dbraw/zinc/99/51/10/591995110.db2.gz IVSRVUHGSKYZFR-HNQUOIGGSA-N 1 2 203.669 1.188 20 0 BDADLO Cl/C=C/C[N@H+]1CCC2(C1)OCCO2 ZINC000135188832 591995111 /nfs/dbraw/zinc/99/51/11/591995111.db2.gz IVSRVUHGSKYZFR-HNQUOIGGSA-N 1 2 203.669 1.188 20 0 BDADLO c1ccc(N2C[C@@H]3CSC[C@@H]3C2)[nH+]c1 ZINC000884646195 592001969 /nfs/dbraw/zinc/00/19/69/592001969.db2.gz KIJKMXIGKHKHHI-AOOOYVTPSA-N 1 2 206.314 1.881 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC[C@]12C[C@H]1CCC2 ZINC000885991902 592124269 /nfs/dbraw/zinc/12/42/69/592124269.db2.gz XQDBFMXAOZSFEX-RISCZKNCSA-N 1 2 245.326 1.800 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2[nH]nc(C)c2C)n1 ZINC000886149055 592163789 /nfs/dbraw/zinc/16/37/89/592163789.db2.gz FDTAVMAGMWMKJQ-UHFFFAOYSA-N 1 2 248.334 1.236 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886157924 592166049 /nfs/dbraw/zinc/16/60/49/592166049.db2.gz OACXJKWNNJPKKV-GARJFASQSA-N 1 2 247.285 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886157924 592166051 /nfs/dbraw/zinc/16/60/51/592166051.db2.gz OACXJKWNNJPKKV-GARJFASQSA-N 1 2 247.285 1.115 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886183765 592171657 /nfs/dbraw/zinc/17/16/57/592171657.db2.gz MTWJNCLNSABCMF-MVWJERBFSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886183765 592171659 /nfs/dbraw/zinc/17/16/59/592171659.db2.gz MTWJNCLNSABCMF-MVWJERBFSA-N 1 2 241.331 1.437 20 0 BDADLO OCc1ccc(C[NH2+]Cc2cc(C3CC3)no2)o1 ZINC000886272646 592193003 /nfs/dbraw/zinc/19/30/03/592193003.db2.gz XDOXJMLXHFSZQS-UHFFFAOYSA-N 1 2 248.282 1.927 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncco2)cn1 ZINC000886274213 592194668 /nfs/dbraw/zinc/19/46/68/592194668.db2.gz OFXCNWHITHGCRJ-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886274438 592195036 /nfs/dbraw/zinc/19/50/36/592195036.db2.gz SYTPAHLABBJKSH-STQMWFEESA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886274438 592195037 /nfs/dbraw/zinc/19/50/37/592195037.db2.gz SYTPAHLABBJKSH-STQMWFEESA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886274438 592195039 /nfs/dbraw/zinc/19/50/39/592195039.db2.gz SYTPAHLABBJKSH-STQMWFEESA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886274438 592195041 /nfs/dbraw/zinc/19/50/41/592195041.db2.gz SYTPAHLABBJKSH-STQMWFEESA-N 1 2 235.331 1.799 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ncco1 ZINC000886276063 592195609 /nfs/dbraw/zinc/19/56/09/592195609.db2.gz VVOCTYBPLMWDTO-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO C[C@](O)(C[N@@H+]1Cc2ccc(O)cc2C1)C(F)F ZINC000886296869 592201793 /nfs/dbraw/zinc/20/17/93/592201793.db2.gz CIPKGAUAJQATLV-LBPRGKRZSA-N 1 2 243.253 1.724 20 0 BDADLO C[C@](O)(C[N@H+]1Cc2ccc(O)cc2C1)C(F)F ZINC000886296869 592201794 /nfs/dbraw/zinc/20/17/94/592201794.db2.gz CIPKGAUAJQATLV-LBPRGKRZSA-N 1 2 243.253 1.724 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347821 592214298 /nfs/dbraw/zinc/21/42/98/592214298.db2.gz AEQQQGHJPROFMF-AOOOYVTPSA-N 1 2 219.288 1.789 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347821 592214299 /nfs/dbraw/zinc/21/42/99/592214299.db2.gz AEQQQGHJPROFMF-AOOOYVTPSA-N 1 2 219.288 1.789 20 0 BDADLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886349084 592215315 /nfs/dbraw/zinc/21/53/15/592215315.db2.gz XZIDXBSNVVJXOG-AOOOYVTPSA-N 1 2 249.314 1.347 20 0 BDADLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886349084 592215316 /nfs/dbraw/zinc/21/53/16/592215316.db2.gz XZIDXBSNVVJXOG-AOOOYVTPSA-N 1 2 249.314 1.347 20 0 BDADLO CCn1cc(Cl)c(NCc2[nH]cc[nH+]2)n1 ZINC000886368102 592220893 /nfs/dbraw/zinc/22/08/93/592220893.db2.gz BGDRCZCXYCOHHQ-UHFFFAOYSA-N 1 2 225.683 1.892 20 0 BDADLO Fc1cccc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000886447490 592226056 /nfs/dbraw/zinc/22/60/56/592226056.db2.gz MNCKIZRYFLHRBB-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO Fc1cccc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000886447490 592226057 /nfs/dbraw/zinc/22/60/57/592226057.db2.gz MNCKIZRYFLHRBB-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCCn2nncc2C1 ZINC000886452752 592226739 /nfs/dbraw/zinc/22/67/39/592226739.db2.gz NPFSPDZEVKZDLD-UHFFFAOYSA-N 1 2 247.302 1.289 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCCn2nncc2C1 ZINC000886452752 592226742 /nfs/dbraw/zinc/22/67/42/592226742.db2.gz NPFSPDZEVKZDLD-UHFFFAOYSA-N 1 2 247.302 1.289 20 0 BDADLO C[C@H](NCCC[NH+]1CCOCC1)c1ncco1 ZINC000886532492 592249728 /nfs/dbraw/zinc/24/97/28/592249728.db2.gz JYOPDJKQAAVIDI-NSHDSACASA-N 1 2 239.319 1.048 20 0 BDADLO C[C@@H](O)CCN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000219805826 592251128 /nfs/dbraw/zinc/25/11/28/592251128.db2.gz BFZKJZLGLXJDGT-ZJUUUORDSA-N 1 2 224.304 1.342 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ncco1 ZINC000886540949 592254256 /nfs/dbraw/zinc/25/42/56/592254256.db2.gz NGWCUQVURZPJPD-MWLCHTKSSA-N 1 2 249.314 1.479 20 0 BDADLO C/C=C/C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886608105 592273813 /nfs/dbraw/zinc/27/38/13/592273813.db2.gz JYVXFQVZGIZDIQ-HWKANZROSA-N 1 2 219.288 1.364 20 0 BDADLO COC(=O)[C@H]1CC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000886607590 592274795 /nfs/dbraw/zinc/27/47/95/592274795.db2.gz UYNWTWFMKWURPF-YUMQZZPRSA-N 1 2 233.258 1.715 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1C[C@H]1C)C2 ZINC000886614758 592275883 /nfs/dbraw/zinc/27/58/83/592275883.db2.gz JJNZODVPCMQFJF-NXEZZACHSA-N 1 2 233.315 1.444 20 0 BDADLO C/C=C/C=C/C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886628950 592281597 /nfs/dbraw/zinc/28/15/97/592281597.db2.gz LGUWNTQPRQKBNM-TWTPFVCWSA-N 1 2 245.326 1.920 20 0 BDADLO CC[C@@H](COC)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753872 592316727 /nfs/dbraw/zinc/31/67/27/592316727.db2.gz YBZMKSSRHWJMRX-QMMMGPOBSA-N 1 2 244.364 1.182 20 0 BDADLO CC[C@@H](COC)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753872 592316731 /nfs/dbraw/zinc/31/67/31/592316731.db2.gz YBZMKSSRHWJMRX-QMMMGPOBSA-N 1 2 244.364 1.182 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)CC(C)C)cs1 ZINC000076718622 592318399 /nfs/dbraw/zinc/31/83/99/592318399.db2.gz VAVXDKLSCOBOLX-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)CC(C)C)cs1 ZINC000076718622 592318403 /nfs/dbraw/zinc/31/84/03/592318403.db2.gz VAVXDKLSCOBOLX-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)no1 ZINC000886836058 592356710 /nfs/dbraw/zinc/35/67/10/592356710.db2.gz VCOLZIJCEWLBOH-GHMZBOCLSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)no1 ZINC000886836058 592356713 /nfs/dbraw/zinc/35/67/13/592356713.db2.gz VCOLZIJCEWLBOH-GHMZBOCLSA-N 1 2 237.303 1.379 20 0 BDADLO COC(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC000886850515 592366999 /nfs/dbraw/zinc/36/69/99/592366999.db2.gz ITAXRMIVAHLSFN-QMMMGPOBSA-N 1 2 241.316 1.073 20 0 BDADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000886850515 592367005 /nfs/dbraw/zinc/36/70/05/592367005.db2.gz ITAXRMIVAHLSFN-QMMMGPOBSA-N 1 2 241.316 1.073 20 0 BDADLO Cn1c[nH+]c(/C=C2/C(=O)Oc3ccccc32)c1 ZINC000221211573 592401180 /nfs/dbraw/zinc/40/11/80/592401180.db2.gz ROMOXQDBZHGVDL-IZZDOVSWSA-N 1 2 226.235 1.880 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@]12C[C@H]1CCC2 ZINC000887031795 592424393 /nfs/dbraw/zinc/42/43/93/592424393.db2.gz NDNBJYLVQBCYBP-LDYMZIIASA-N 1 2 205.261 1.011 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@]12C[C@H]1CCC2 ZINC000887031795 592424395 /nfs/dbraw/zinc/42/43/95/592424395.db2.gz NDNBJYLVQBCYBP-LDYMZIIASA-N 1 2 205.261 1.011 20 0 BDADLO C=C/C=C/CC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887078776 592435199 /nfs/dbraw/zinc/43/51/99/592435199.db2.gz CRFDQVSXEJAMJI-SGUJLRQBSA-N 1 2 241.356 1.709 20 0 BDADLO C=C/C=C/CC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887078776 592435203 /nfs/dbraw/zinc/43/52/03/592435203.db2.gz CRFDQVSXEJAMJI-SGUJLRQBSA-N 1 2 241.356 1.709 20 0 BDADLO CC/C=C\CC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887076064 592436015 /nfs/dbraw/zinc/43/60/15/592436015.db2.gz WDHSOVZOYBDNIE-WYGGZMRJSA-N 1 2 243.372 1.933 20 0 BDADLO CC/C=C\CC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887076064 592436018 /nfs/dbraw/zinc/43/60/18/592436018.db2.gz WDHSOVZOYBDNIE-WYGGZMRJSA-N 1 2 243.372 1.933 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCF)n1C1CC1 ZINC000887138820 592453230 /nfs/dbraw/zinc/45/32/30/592453230.db2.gz NEVRGJODTKYKDW-UHFFFAOYSA-N 1 2 226.299 1.713 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCF)n1C1CC1 ZINC000887138820 592453233 /nfs/dbraw/zinc/45/32/33/592453233.db2.gz NEVRGJODTKYKDW-UHFFFAOYSA-N 1 2 226.299 1.713 20 0 BDADLO C[N@H+](CCCF)Cc1nccn1CC(F)F ZINC000887143639 592459130 /nfs/dbraw/zinc/45/91/30/592459130.db2.gz JIRKDBMZZCPDSY-UHFFFAOYSA-N 1 2 235.253 1.940 20 0 BDADLO C[N@@H+](CCCF)Cc1nccn1CC(F)F ZINC000887143639 592459131 /nfs/dbraw/zinc/45/91/31/592459131.db2.gz JIRKDBMZZCPDSY-UHFFFAOYSA-N 1 2 235.253 1.940 20 0 BDADLO CCn1cc(C[N@H+](C)[C@@H](C)c2cccnc2)nn1 ZINC000887555407 592525324 /nfs/dbraw/zinc/52/53/24/592525324.db2.gz IXYXUFLPALDNDQ-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)nn1 ZINC000887555407 592525327 /nfs/dbraw/zinc/52/53/27/592525327.db2.gz IXYXUFLPALDNDQ-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC2(CCCC2)C1 ZINC000302465087 592548670 /nfs/dbraw/zinc/54/86/70/592548670.db2.gz FIJAPFMHFSKANP-UHFFFAOYSA-N 1 2 248.330 1.838 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC2(CCCC2)C1 ZINC000302465087 592548672 /nfs/dbraw/zinc/54/86/72/592548672.db2.gz FIJAPFMHFSKANP-UHFFFAOYSA-N 1 2 248.330 1.838 20 0 BDADLO CCc1cnc(NC(=O)CCCn2cc[nH+]c2)o1 ZINC000889391653 592606114 /nfs/dbraw/zinc/60/61/14/592606114.db2.gz PZYCMQDKBSBLQO-UHFFFAOYSA-N 1 2 248.286 1.852 20 0 BDADLO O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889619322 592631164 /nfs/dbraw/zinc/63/11/64/592631164.db2.gz XMWVNKOSJUGHCK-PREPNJAASA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889619322 592631167 /nfs/dbraw/zinc/63/11/67/592631167.db2.gz XMWVNKOSJUGHCK-PREPNJAASA-N 1 2 245.326 1.818 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C(C)(C)C2CCC2)c1 ZINC000890104325 592679780 /nfs/dbraw/zinc/67/97/80/592679780.db2.gz JNJKHFALRHWNLU-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO C/C(=C(\F)C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890104203 592680088 /nfs/dbraw/zinc/68/00/88/592680088.db2.gz VJNWQPQTOCPQQV-DHZHZOJOSA-N 1 2 237.278 1.690 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103340 592680662 /nfs/dbraw/zinc/68/06/62/592680662.db2.gz JSBQCXIRYCOMHY-LLVKDONJSA-N 1 2 239.319 1.242 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCC2(C)C)c1 ZINC000890106714 592681771 /nfs/dbraw/zinc/68/17/71/592681771.db2.gz BOHCSTKIBYCUDW-LLVKDONJSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000890104737 592682147 /nfs/dbraw/zinc/68/21/47/592682147.db2.gz PPCMLNIEIQYPAU-NTZNESFSSA-N 1 2 245.326 1.639 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)c1ccccc1 ZINC000890108159 592683511 /nfs/dbraw/zinc/68/35/11/592683511.db2.gz UNHXFHPUEXTFCS-NSHDSACASA-N 1 2 243.310 1.840 20 0 BDADLO CCC(C)(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107965 592683550 /nfs/dbraw/zinc/68/35/50/592683550.db2.gz SMHSNTBUKNZTLP-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2C(C)(C)C2(C)C)c1 ZINC000890110442 592683810 /nfs/dbraw/zinc/68/38/10/592683810.db2.gz PSPDTPGCNGVVRN-UHFFFAOYSA-N 1 2 235.331 1.719 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C23CCC(CC2)C3)c1 ZINC000890110057 592684740 /nfs/dbraw/zinc/68/47/40/592684740.db2.gz WFBPBBPQIDQJNT-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO Cc1ncc(C(=O)NCc2cn(C)c[nH+]2)s1 ZINC000890114514 592685355 /nfs/dbraw/zinc/68/53/55/592685355.db2.gz NOWQAEOCCVKDNA-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CCCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890117718 592685854 /nfs/dbraw/zinc/68/58/54/592685854.db2.gz SNGVSKTUZIGSGE-UHFFFAOYSA-N 1 2 209.293 1.617 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CC(C)(C)C)c1 ZINC000890117926 592685857 /nfs/dbraw/zinc/68/58/57/592685857.db2.gz ZQTMMHRKVAJKOW-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229934379 597248474 /nfs/dbraw/zinc/24/84/74/597248474.db2.gz HTXNFVYKEQPXOT-UWVGGRQHSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229934379 597248476 /nfs/dbraw/zinc/24/84/76/597248476.db2.gz HTXNFVYKEQPXOT-UWVGGRQHSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H](c1noc([C@@H](C)[NH+](C)C)n1)[C@H]1CCCO1 ZINC000924175318 634571313 /nfs/dbraw/zinc/57/13/13/634571313.db2.gz OZQVWZMIXNAEQJ-IVZWLZJFSA-N 1 2 239.319 1.975 20 0 BDADLO CC1(CC(=O)N2CCC[N@H+](CCF)CC2)CC1 ZINC000981636051 635381599 /nfs/dbraw/zinc/38/15/99/635381599.db2.gz PZOXGEWUWFYZNZ-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO CC1(CC(=O)N2CCC[N@@H+](CCF)CC2)CC1 ZINC000981636051 635381606 /nfs/dbraw/zinc/38/16/06/635381606.db2.gz PZOXGEWUWFYZNZ-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO CCCNc1cc(NCc2cccnn2)nc[nH+]1 ZINC000233204942 635529770 /nfs/dbraw/zinc/52/97/70/635529770.db2.gz KDNHHZFTDVYFOE-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO CCCNc1cc(NCc2cccnn2)[nH+]cn1 ZINC000233204942 635529777 /nfs/dbraw/zinc/52/97/77/635529777.db2.gz KDNHHZFTDVYFOE-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cnc(Cl)s1 ZINC000308313888 631277834 /nfs/dbraw/zinc/27/78/34/631277834.db2.gz TZJHCYSPJPWIIH-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cnc(Cl)s1 ZINC000308313888 631277836 /nfs/dbraw/zinc/27/78/36/631277836.db2.gz TZJHCYSPJPWIIH-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CCN(C(C)=O)C1C[NH+](Cc2ccsc2)C1 ZINC000949539937 631299170 /nfs/dbraw/zinc/29/91/70/631299170.db2.gz UMZYUHUWDOLHDU-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO C[C@H](C(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000308391472 631310371 /nfs/dbraw/zinc/31/03/71/631310371.db2.gz MRIKSIQNSLUMRS-QMMMGPOBSA-N 1 2 219.288 1.326 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933398012 631359048 /nfs/dbraw/zinc/35/90/48/631359048.db2.gz IORYRDQQPAUZNE-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933398012 631359051 /nfs/dbraw/zinc/35/90/51/631359051.db2.gz IORYRDQQPAUZNE-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO C[N@H+](Cc1nc(Br)c[nH]1)C1CC1 ZINC000891620005 631413112 /nfs/dbraw/zinc/41/31/12/631413112.db2.gz MEKMOCIZFUOWAL-UHFFFAOYSA-N 1 2 230.109 1.766 20 0 BDADLO C[N@@H+](Cc1nc(Br)c[nH]1)C1CC1 ZINC000891620005 631413115 /nfs/dbraw/zinc/41/31/15/631413115.db2.gz MEKMOCIZFUOWAL-UHFFFAOYSA-N 1 2 230.109 1.766 20 0 BDADLO CCc1cc(N2CCO[C@H](C)C2)nc(CC)[nH+]1 ZINC000891651827 631428008 /nfs/dbraw/zinc/42/80/08/631428008.db2.gz YCWNVKQCORAVSK-SNVBAGLBSA-N 1 2 235.331 1.827 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000308811177 631568186 /nfs/dbraw/zinc/56/81/86/631568186.db2.gz NSZYIIAMFXSAPK-GFCCVEGCSA-N 1 2 207.273 1.051 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000934012077 631587510 /nfs/dbraw/zinc/58/75/10/631587510.db2.gz PHYMJRKHUIOOLI-VIFPVBQESA-N 1 2 208.261 1.119 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC000934012077 631587515 /nfs/dbraw/zinc/58/75/15/631587515.db2.gz PHYMJRKHUIOOLI-VIFPVBQESA-N 1 2 208.261 1.119 20 0 BDADLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H]2CO)c1 ZINC000934024457 631598354 /nfs/dbraw/zinc/59/83/54/631598354.db2.gz DAVYOIXQTFAJBV-ZDUSSCGKSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H]2CO)c1 ZINC000934024457 631598365 /nfs/dbraw/zinc/59/83/65/631598365.db2.gz DAVYOIXQTFAJBV-ZDUSSCGKSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]2CO)nc2ccccc12 ZINC000934020388 631620943 /nfs/dbraw/zinc/62/09/43/631620943.db2.gz BLINNGLEURJLHC-NSHDSACASA-N 1 2 243.310 1.505 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]2CO)nc2ccccc12 ZINC000934020388 631620945 /nfs/dbraw/zinc/62/09/45/631620945.db2.gz BLINNGLEURJLHC-NSHDSACASA-N 1 2 243.310 1.505 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]2CO)nc2ccccc12 ZINC000934020387 631621580 /nfs/dbraw/zinc/62/15/80/631621580.db2.gz BLINNGLEURJLHC-LLVKDONJSA-N 1 2 243.310 1.505 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]2CO)nc2ccccc12 ZINC000934020387 631621586 /nfs/dbraw/zinc/62/15/86/631621586.db2.gz BLINNGLEURJLHC-LLVKDONJSA-N 1 2 243.310 1.505 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000934023767 631623539 /nfs/dbraw/zinc/62/35/39/631623539.db2.gz LGPLCXRESIYCGY-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000934023767 631623542 /nfs/dbraw/zinc/62/35/42/631623542.db2.gz LGPLCXRESIYCGY-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO Cc1[nH+]ccn1CCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000924873370 635682606 /nfs/dbraw/zinc/68/26/06/635682606.db2.gz MRMWNJRBHKSTNX-KOLCDFICSA-N 1 2 246.318 1.079 20 0 BDADLO Cc1nccn1CC[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000924873370 635682610 /nfs/dbraw/zinc/68/26/10/635682610.db2.gz MRMWNJRBHKSTNX-KOLCDFICSA-N 1 2 246.318 1.079 20 0 BDADLO CC[C@@H](CNc1cc(NC)nc[nH+]1)OC ZINC000308868615 631699090 /nfs/dbraw/zinc/69/90/90/631699090.db2.gz XXJSWIDKUFGEHM-QMMMGPOBSA-N 1 2 210.281 1.355 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H](C)C2)nc(N)[nH+]1 ZINC000308903191 631723525 /nfs/dbraw/zinc/72/35/25/631723525.db2.gz UTNBOXWFXPEYLW-XPUUQOCRSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000308903191 631723531 /nfs/dbraw/zinc/72/35/31/631723531.db2.gz UTNBOXWFXPEYLW-XPUUQOCRSA-N 1 2 207.281 1.363 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC000255486617 631767119 /nfs/dbraw/zinc/76/71/19/631767119.db2.gz XKHFXSUTMORZQW-NHLYECAPSA-N 1 2 202.685 1.079 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC000255486617 631767127 /nfs/dbraw/zinc/76/71/27/631767127.db2.gz XKHFXSUTMORZQW-NHLYECAPSA-N 1 2 202.685 1.079 20 0 BDADLO CN1C(=O)C2(CCCC2)[NH2+]C12CCCC2 ZINC000308969911 631774570 /nfs/dbraw/zinc/77/45/70/631774570.db2.gz YOWROEIJOBLMIG-UHFFFAOYSA-N 1 2 208.305 1.631 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)on1 ZINC000934479415 631873589 /nfs/dbraw/zinc/87/35/89/631873589.db2.gz RVGHBZUDKNMQLW-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@]2(C)C2CC2)on1 ZINC000934479415 631873594 /nfs/dbraw/zinc/87/35/94/631873594.db2.gz RVGHBZUDKNMQLW-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO O[C@H]1CC[N@H+](CCc2ccns2)C[C@@H]1F ZINC000934568889 631936144 /nfs/dbraw/zinc/93/61/44/631936144.db2.gz WNAWTUKETNQXIW-UWVGGRQHSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1F ZINC000934568889 631936147 /nfs/dbraw/zinc/93/61/47/631936147.db2.gz WNAWTUKETNQXIW-UWVGGRQHSA-N 1 2 230.308 1.090 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(C)n1 ZINC000934571979 631944199 /nfs/dbraw/zinc/94/41/99/631944199.db2.gz HYXGNSOVPFOPJW-CHWSQXEVSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(C)n1 ZINC000934571979 631944207 /nfs/dbraw/zinc/94/42/07/631944207.db2.gz HYXGNSOVPFOPJW-CHWSQXEVSA-N 1 2 238.306 1.603 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccsc2)n1 ZINC000051860795 631971856 /nfs/dbraw/zinc/97/18/56/631971856.db2.gz HIPGUJSNXGAFTK-UHFFFAOYSA-N 1 2 223.301 1.831 20 0 BDADLO CCCSCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309301182 631994631 /nfs/dbraw/zinc/99/46/31/631994631.db2.gz TYUNULPZZWAROX-UHFFFAOYSA-N 1 2 240.328 1.850 20 0 BDADLO FCC[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934638008 631997673 /nfs/dbraw/zinc/99/76/73/631997673.db2.gz KJXHLROFCXLKHB-GFCCVEGCSA-N 1 2 231.311 1.473 20 0 BDADLO FCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934638008 631997685 /nfs/dbraw/zinc/99/76/85/631997685.db2.gz KJXHLROFCXLKHB-GFCCVEGCSA-N 1 2 231.311 1.473 20 0 BDADLO CCOC(=O)C[N@H+](CC(OC)OC)C(C)(C)C ZINC000161651385 632115063 /nfs/dbraw/zinc/11/50/63/632115063.db2.gz DYKBZUMEEDACJA-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(=O)C[N@@H+](CC(OC)OC)C(C)(C)C ZINC000161651385 632115069 /nfs/dbraw/zinc/11/50/69/632115069.db2.gz DYKBZUMEEDACJA-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000126275652 632118743 /nfs/dbraw/zinc/11/87/43/632118743.db2.gz QRVYUINBVZCSQM-SDDRHHMPSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@H](O)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935332559 632621795 /nfs/dbraw/zinc/62/17/95/632621795.db2.gz CLSCZEDPXQDYMW-IUCAKERBSA-N 1 2 247.298 1.452 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccn1C ZINC000309082149 632634152 /nfs/dbraw/zinc/63/41/52/632634152.db2.gz RFDCMYFDVMHBCO-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NOC1CCCC1 ZINC000292312333 632653945 /nfs/dbraw/zinc/65/39/45/632653945.db2.gz IGYOLLBCWXNVKD-UHFFFAOYSA-N 1 2 238.291 1.094 20 0 BDADLO CO[C@H](C)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000309817998 632671840 /nfs/dbraw/zinc/67/18/40/632671840.db2.gz CLWHVSYFEMBVLM-NXEZZACHSA-N 1 2 231.336 1.731 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccnn2C)no1 ZINC000235500465 632767558 /nfs/dbraw/zinc/76/75/58/632767558.db2.gz YMJWPWCHXDCUBE-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO CC(C)(C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC000309335369 632944308 /nfs/dbraw/zinc/94/43/08/632944308.db2.gz IWBMOHOKYRXAKW-LURJTMIESA-N 1 2 244.232 1.391 20 0 BDADLO CC(C)(C)[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC000309335369 632944311 /nfs/dbraw/zinc/94/43/11/632944311.db2.gz IWBMOHOKYRXAKW-LURJTMIESA-N 1 2 244.232 1.391 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CC(C)(C)F)c2ncnn21 ZINC000926779094 633048744 /nfs/dbraw/zinc/04/87/44/633048744.db2.gz GSNIAJOUZKKTNM-JGVFFNPUSA-N 1 2 212.272 1.622 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cnn(C)n1 ZINC000926816830 633130972 /nfs/dbraw/zinc/13/09/72/633130972.db2.gz PMOIZDWFFVRUAH-ZJUUUORDSA-N 1 2 246.318 1.197 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@@]4(CCOC4)C3)c12 ZINC000892888884 633239524 /nfs/dbraw/zinc/23/95/24/633239524.db2.gz MJYZCIAZYGZVLL-CYBMUJFWSA-N 1 2 244.298 1.346 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1C ZINC000894855403 635953621 /nfs/dbraw/zinc/95/36/21/635953621.db2.gz PFMVAIPPQKAJKM-ZDUSSCGKSA-N 1 2 249.358 1.906 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](O)C23CCCC3)c1C ZINC000894855403 635953629 /nfs/dbraw/zinc/95/36/29/635953629.db2.gz PFMVAIPPQKAJKM-ZDUSSCGKSA-N 1 2 249.358 1.906 20 0 BDADLO OC[C@]1(O)CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000307371216 635987906 /nfs/dbraw/zinc/98/79/06/635987906.db2.gz SXXPZGGUBKTIME-OTOXVQDCSA-N 1 2 240.130 1.125 20 0 BDADLO OC[C@]1(O)CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000307371216 635987911 /nfs/dbraw/zinc/98/79/11/635987911.db2.gz SXXPZGGUBKTIME-OTOXVQDCSA-N 1 2 240.130 1.125 20 0 BDADLO Cn1c[nH+]c(CCNc2nccs2)c1 ZINC000307462725 635988189 /nfs/dbraw/zinc/98/81/89/635988189.db2.gz FBRNROSYZVJMHS-UHFFFAOYSA-N 1 2 208.290 1.531 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)cn1 ZINC000307486508 635988960 /nfs/dbraw/zinc/98/89/60/635988960.db2.gz BYWUKPAQPLLRQT-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)cn1 ZINC000307486508 635988962 /nfs/dbraw/zinc/98/89/62/635988962.db2.gz BYWUKPAQPLLRQT-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO COCC(C)(C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000924095655 633855765 /nfs/dbraw/zinc/85/57/65/633855765.db2.gz CKCKYHVTYSKKEX-MRVPVSSYSA-N 1 2 227.308 1.616 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)C1(CO)CCC1 ZINC000930554377 633892793 /nfs/dbraw/zinc/89/27/93/633892793.db2.gz KLQIDOVWQOHWHO-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)C1(CO)CCC1 ZINC000930554377 633892798 /nfs/dbraw/zinc/89/27/98/633892798.db2.gz KLQIDOVWQOHWHO-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@@H](Nc1nccs1)[C@@H](C)[NH+]1CCOCC1 ZINC000309736736 634000531 /nfs/dbraw/zinc/00/05/31/634000531.db2.gz CMIVACRBSTXLDT-NXEZZACHSA-N 1 2 241.360 1.664 20 0 BDADLO CO[C@@H](C[NH2+]Cc1ccn(C)n1)C(F)(F)F ZINC000309962293 634054046 /nfs/dbraw/zinc/05/40/46/634054046.db2.gz LVLCSFBJTQLVJU-QMMMGPOBSA-N 1 2 237.225 1.087 20 0 BDADLO COc1ccnc([C@@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000925661741 634226168 /nfs/dbraw/zinc/22/61/68/634226168.db2.gz VXQAGZBRZSSFNK-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OC1CCCC1 ZINC000297168141 634228891 /nfs/dbraw/zinc/22/88/91/634228891.db2.gz SGJWKSCGLDIYTI-UHFFFAOYSA-N 1 2 223.276 1.589 20 0 BDADLO Cc1ccn(CCCc2c[nH+]cn2C)c(=O)c1 ZINC000314264229 635160441 /nfs/dbraw/zinc/16/04/41/635160441.db2.gz ZDZCILFROKCNOP-UHFFFAOYSA-N 1 2 231.299 1.523 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000336599592 635187155 /nfs/dbraw/zinc/18/71/55/635187155.db2.gz VCUZCNKAUPIVSW-VHSXEESVSA-N 1 2 236.319 1.408 20 0 BDADLO CC(C)(C)C(=O)CCN1CC[NH+](C2CC2)CC1 ZINC000054026756 635331755 /nfs/dbraw/zinc/33/17/55/635331755.db2.gz QZHHZGVOETZOSX-UHFFFAOYSA-N 1 2 238.375 1.772 20 0 BDADLO CC(=O)c1c(F)cncc1NCc1c[nH+]cn1C ZINC000893897457 635638828 /nfs/dbraw/zinc/63/88/28/635638828.db2.gz DNVUNMVQZHGZQM-UHFFFAOYSA-N 1 2 248.261 1.769 20 0 BDADLO C[C@H]1[C@H](CO)CCCN1c1nccn2c[nH+]cc12 ZINC000894224091 635756704 /nfs/dbraw/zinc/75/67/04/635756704.db2.gz VHABYSYACWZIFA-QWRGUYRKSA-N 1 2 246.314 1.327 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000895907329 636182388 /nfs/dbraw/zinc/18/23/88/636182388.db2.gz BOFXRBZBXBGLHU-WCBMZHEXSA-N 1 2 208.261 1.021 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cnn(C)n1 ZINC000925274293 636698229 /nfs/dbraw/zinc/69/82/29/636698229.db2.gz LTYCNPJJJTVFIE-MFKMUULPSA-N 1 2 246.314 1.199 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000897659610 636834061 /nfs/dbraw/zinc/83/40/61/636834061.db2.gz BYXVGJMQACRIOJ-VIFPVBQESA-N 1 2 223.276 1.270 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000897659610 636834064 /nfs/dbraw/zinc/83/40/64/636834064.db2.gz BYXVGJMQACRIOJ-VIFPVBQESA-N 1 2 223.276 1.270 20 0 BDADLO CNc1cc(N(C)CCc2ccccn2)nc[nH+]1 ZINC000128161462 637011845 /nfs/dbraw/zinc/01/18/45/637011845.db2.gz BWHMWLBTLAHGHO-UHFFFAOYSA-N 1 2 243.314 1.592 20 0 BDADLO CC[C@H](C)c1noc([C@H]2C[N@H+](C)C[C@H](C)O2)n1 ZINC000923808444 637033097 /nfs/dbraw/zinc/03/30/97/637033097.db2.gz MWBZTNYVEJNUKL-LPEHRKFASA-N 1 2 239.319 1.975 20 0 BDADLO CC[C@H](C)c1noc([C@H]2C[N@@H+](C)C[C@H](C)O2)n1 ZINC000923808444 637033099 /nfs/dbraw/zinc/03/30/99/637033099.db2.gz MWBZTNYVEJNUKL-LPEHRKFASA-N 1 2 239.319 1.975 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)C12CC(C1)C2 ZINC000898503062 637045739 /nfs/dbraw/zinc/04/57/39/637045739.db2.gz GQPVNSQXJUFTAL-AKJDGMEZSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)C12CC(C1)C2 ZINC000898503062 637045743 /nfs/dbraw/zinc/04/57/43/637045743.db2.gz GQPVNSQXJUFTAL-AKJDGMEZSA-N 1 2 240.322 1.337 20 0 BDADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C=C1CCCC1 ZINC000898888440 637061370 /nfs/dbraw/zinc/06/13/70/637061370.db2.gz PANQOGPMWHEMAC-NSHDSACASA-N 1 2 249.314 1.070 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898909981 637063525 /nfs/dbraw/zinc/06/35/25/637063525.db2.gz WOPADGGJHFTTFH-GHMZBOCLSA-N 1 2 235.331 1.781 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000898974813 637069322 /nfs/dbraw/zinc/06/93/22/637069322.db2.gz FBYKHTFZPHONMP-RYUDHWBXSA-N 1 2 247.342 1.795 20 0 BDADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)[C@@H](C)CO1 ZINC000900136339 637173068 /nfs/dbraw/zinc/17/30/68/637173068.db2.gz HYDZPZVGIWMFEG-QWRGUYRKSA-N 1 2 249.314 1.129 20 0 BDADLO COC[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccco1 ZINC000900921549 637205688 /nfs/dbraw/zinc/20/56/88/637205688.db2.gz DTKINKDAYLASES-JTQLQIEISA-N 1 2 249.270 1.049 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901009655 637219441 /nfs/dbraw/zinc/21/94/41/637219441.db2.gz MEHKMNWTZVQPCX-SNVBAGLBSA-N 1 2 221.304 1.457 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901011024 637221307 /nfs/dbraw/zinc/22/13/07/637221307.db2.gz WMEJFPSRFNZBKD-GFCCVEGCSA-N 1 2 247.342 1.998 20 0 BDADLO CCC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901026011 637228571 /nfs/dbraw/zinc/22/85/71/637228571.db2.gz MKQOKIDFMJLKMS-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@](C)(O)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904264842 637394375 /nfs/dbraw/zinc/39/43/75/637394375.db2.gz AAHUUCAEVKPMSX-LBPRGKRZSA-N 1 2 248.286 1.640 20 0 BDADLO CC[NH2+]Cc1noc(/C=C\c2cn(C)cn2)n1 ZINC000904493741 637421256 /nfs/dbraw/zinc/42/12/56/637421256.db2.gz GILPXLBPOIXJPJ-PLNGDYQASA-N 1 2 233.275 1.083 20 0 BDADLO Cc1cc(C)c(C(=O)NC2CC2)c(C)[nH+]1 ZINC000905066937 637597695 /nfs/dbraw/zinc/59/76/95/637597695.db2.gz CLDPFKBTEMIWQH-UHFFFAOYSA-N 1 2 204.273 1.899 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905268771 637728335 /nfs/dbraw/zinc/72/83/35/637728335.db2.gz ROAABBITVNAWJY-VIFPVBQESA-N 1 2 237.290 1.287 20 0 BDADLO CC[C@@](O)(C[NH2+]Cc1ncccn1)C(F)(F)F ZINC000905371816 637790875 /nfs/dbraw/zinc/79/08/75/637790875.db2.gz LBVGPMARSAZVQW-SECBINFHSA-N 1 2 249.236 1.270 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCSC2=O)CCO1 ZINC000905738379 637904877 /nfs/dbraw/zinc/90/48/77/637904877.db2.gz KTZMJSGSKFCBOD-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCSC2=O)CCO1 ZINC000905738379 637904880 /nfs/dbraw/zinc/90/48/80/637904880.db2.gz KTZMJSGSKFCBOD-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCOCCF)C(=O)OC ZINC000905775813 637906857 /nfs/dbraw/zinc/90/68/57/637906857.db2.gz YPJDGWJHPOKKJY-ZJUUUORDSA-N 1 2 235.299 1.150 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1C=CCC1)C(=O)OC ZINC000905780904 637909884 /nfs/dbraw/zinc/90/98/84/637909884.db2.gz UASGHWCEEXQFNX-DCAQKATOSA-N 1 2 211.305 1.882 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000905781418 637910426 /nfs/dbraw/zinc/91/04/26/637910426.db2.gz XDNCOTSOEUSSLE-OPRDCNLKSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000905762194 637915796 /nfs/dbraw/zinc/91/57/96/637915796.db2.gz KXLJEXVCXVPXTR-BBBLOLIVSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@](O)(C[N@@H+]1CCOC[C@@H]1C)C(F)(F)F ZINC000905905145 637971034 /nfs/dbraw/zinc/97/10/34/637971034.db2.gz OKRYHBAVZLHRIY-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@](O)(C[N@H+]1CCOC[C@@H]1C)C(F)(F)F ZINC000905905145 637971040 /nfs/dbraw/zinc/97/10/40/637971040.db2.gz OKRYHBAVZLHRIY-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[N@@H+](Cc1cn(C2CC2)nn1)C[C@H]1CCCO1 ZINC000906257515 638129228 /nfs/dbraw/zinc/12/92/28/638129228.db2.gz HGTKMXBQFLBQOK-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO C[N@H+](Cc1cn(C2CC2)nn1)C[C@H]1CCCO1 ZINC000906257515 638129230 /nfs/dbraw/zinc/12/92/30/638129230.db2.gz HGTKMXBQFLBQOK-GFCCVEGCSA-N 1 2 236.319 1.224 20 0 BDADLO CC1=CC[N@H+](Cc2cn(C3CC3)nn2)CC1 ZINC000906289890 638132701 /nfs/dbraw/zinc/13/27/01/638132701.db2.gz MDQOUDMITVTAKN-UHFFFAOYSA-N 1 2 218.304 1.765 20 0 BDADLO CC1=CC[N@@H+](Cc2cn(C3CC3)nn2)CC1 ZINC000906289890 638132704 /nfs/dbraw/zinc/13/27/04/638132704.db2.gz MDQOUDMITVTAKN-UHFFFAOYSA-N 1 2 218.304 1.765 20 0 BDADLO c1c(C[N@@H+]2CCCSCC2)nnn1C1CC1 ZINC000906290005 638133095 /nfs/dbraw/zinc/13/30/95/638133095.db2.gz LEWKWRMCYVSHRW-UHFFFAOYSA-N 1 2 238.360 1.552 20 0 BDADLO c1c(C[N@H+]2CCCSCC2)nnn1C1CC1 ZINC000906290005 638133100 /nfs/dbraw/zinc/13/31/00/638133100.db2.gz LEWKWRMCYVSHRW-UHFFFAOYSA-N 1 2 238.360 1.552 20 0 BDADLO c1c(C[NH+](C2CC2)C2CC2)nnn1C1CC1 ZINC000906315788 638140334 /nfs/dbraw/zinc/14/03/34/638140334.db2.gz NMGRQUXCCVHBAA-UHFFFAOYSA-N 1 2 218.304 1.740 20 0 BDADLO Cc1cc(C)c(C(=O)NCC2(O)CCC2)c(C)[nH+]1 ZINC000906760720 638241790 /nfs/dbraw/zinc/24/17/90/638241790.db2.gz PVPAEVYCWMTOGZ-UHFFFAOYSA-N 1 2 248.326 1.652 20 0 BDADLO C[C@H]1OCC[C@]1(C)NC(=O)CNc1cccc[nH+]1 ZINC000907328760 638356871 /nfs/dbraw/zinc/35/68/71/638356871.db2.gz WFCQGKHDVRBTIX-MFKMUULPSA-N 1 2 249.314 1.177 20 0 BDADLO CC(C)=CCCNC(=O)CNc1cccc[nH+]1 ZINC000907689832 638449014 /nfs/dbraw/zinc/44/90/14/638449014.db2.gz ZGEIFTSFQBLNJY-UHFFFAOYSA-N 1 2 233.315 1.966 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000908190844 638598285 /nfs/dbraw/zinc/59/82/85/638598285.db2.gz GULAHXLQGRYTJN-SNVBAGLBSA-N 1 2 233.315 1.798 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCCSC1 ZINC000908214732 638615673 /nfs/dbraw/zinc/61/56/73/638615673.db2.gz PFLQDOKJBBYJSP-SECBINFHSA-N 1 2 239.344 1.212 20 0 BDADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C1CC1 ZINC000908282215 638632891 /nfs/dbraw/zinc/63/28/91/638632891.db2.gz BZBZYVVCIQYXBD-LBPRGKRZSA-N 1 2 233.315 1.599 20 0 BDADLO CC1(C)CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908449104 638719330 /nfs/dbraw/zinc/71/93/30/638719330.db2.gz VULRLASIDUXVOV-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908509319 639002452 /nfs/dbraw/zinc/00/24/52/639002452.db2.gz LHYBUHQTAGCHPE-LLVKDONJSA-N 1 2 225.267 1.303 20 0 BDADLO C[C@]1(F)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908509320 639003090 /nfs/dbraw/zinc/00/30/90/639003090.db2.gz LHYBUHQTAGCHPE-NSHDSACASA-N 1 2 225.267 1.303 20 0 BDADLO CC[C@@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908557751 639014532 /nfs/dbraw/zinc/01/45/32/639014532.db2.gz JTYRXHDHSZQIER-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)[C@@H]1C[C@@H]1C)[NH+](C)C ZINC000909257212 639185437 /nfs/dbraw/zinc/18/54/37/639185437.db2.gz URXJYFGZTFZYMK-HOSYDEDBSA-N 1 2 241.331 1.341 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)[C@@H]1C[C@H]1C)[NH+](C)C ZINC000909257211 639185706 /nfs/dbraw/zinc/18/57/06/639185706.db2.gz URXJYFGZTFZYMK-CKYFFXLPSA-N 1 2 241.331 1.341 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000909907577 639268306 /nfs/dbraw/zinc/26/83/06/639268306.db2.gz PEWWLNMNVXSIBN-WDEREUQCSA-N 1 2 233.315 1.654 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cn2ccsc2=O)C1 ZINC000746620217 639296824 /nfs/dbraw/zinc/29/68/24/639296824.db2.gz NBJBGYSHZMQMOQ-SNVBAGLBSA-N 1 2 242.344 1.226 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000746620217 639296829 /nfs/dbraw/zinc/29/68/29/639296829.db2.gz NBJBGYSHZMQMOQ-SNVBAGLBSA-N 1 2 242.344 1.226 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC=CC1 ZINC000910027643 639318048 /nfs/dbraw/zinc/31/80/48/639318048.db2.gz RKAJCUPKUSQANN-UHFFFAOYSA-N 1 2 231.299 1.160 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)CNc2cccc[nH+]2)[C@H]1C ZINC000910933931 639532771 /nfs/dbraw/zinc/53/27/71/639532771.db2.gz XDKDSCWEWMEHLS-UTUOFQBUSA-N 1 2 247.342 1.996 20 0 BDADLO CC1(CCC(=O)NCCn2cc[nH+]c2)CC1 ZINC000930222693 639639256 /nfs/dbraw/zinc/63/92/56/639639256.db2.gz QXZBQKPBJMBZFA-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000930245670 639656174 /nfs/dbraw/zinc/65/61/74/639656174.db2.gz SIFIBMBDQFLUSV-BXXZLRJFSA-N 1 2 229.295 1.786 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000930245670 639656180 /nfs/dbraw/zinc/65/61/80/639656180.db2.gz SIFIBMBDQFLUSV-BXXZLRJFSA-N 1 2 229.295 1.786 20 0 BDADLO CCON(C(=O)CNc1cccc[nH+]1)C(C)C ZINC000911552378 639663906 /nfs/dbraw/zinc/66/39/06/639663906.db2.gz GADAEBNWEAZHMO-UHFFFAOYSA-N 1 2 237.303 1.682 20 0 BDADLO Nc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000930262433 639668872 /nfs/dbraw/zinc/66/88/72/639668872.db2.gz DZRXXERCTQISJX-GFCCVEGCSA-N 1 2 243.314 1.724 20 0 BDADLO Nc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000930262433 639668876 /nfs/dbraw/zinc/66/88/76/639668876.db2.gz DZRXXERCTQISJX-GFCCVEGCSA-N 1 2 243.314 1.724 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000911608096 639676454 /nfs/dbraw/zinc/67/64/54/639676454.db2.gz NFMLSMIZPSOLIV-IJLUTSLNSA-N 1 2 245.326 1.798 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000930344617 639717542 /nfs/dbraw/zinc/71/75/42/639717542.db2.gz ZBJTVPKNUCYSMM-BNFOFFDWSA-N 1 2 235.274 1.545 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000930344617 639717546 /nfs/dbraw/zinc/71/75/46/639717546.db2.gz ZBJTVPKNUCYSMM-BNFOFFDWSA-N 1 2 235.274 1.545 20 0 BDADLO Cc1nnsc1[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000930515133 639795049 /nfs/dbraw/zinc/79/50/49/639795049.db2.gz JIPOTAPUCVLXSB-MRVPVSSYSA-N 1 2 249.343 1.689 20 0 BDADLO C[C@@]1([NH2+]CCc2cccc(F)c2)CCOC1=O ZINC000930521664 639796887 /nfs/dbraw/zinc/79/68/87/639796887.db2.gz JCLUXEMSTQNRON-CYBMUJFWSA-N 1 2 237.274 1.663 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nncn1C(C)C ZINC000930561498 639811466 /nfs/dbraw/zinc/81/14/66/639811466.db2.gz ZLGBDBNVQGKZNN-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nncn1C(C)C ZINC000930561498 639811467 /nfs/dbraw/zinc/81/14/67/639811467.db2.gz ZLGBDBNVQGKZNN-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO Cc1cc(NC(=O)NC/C=C/Cl)c(C)c[nH+]1 ZINC000930626238 639830168 /nfs/dbraw/zinc/83/01/68/639830168.db2.gz LVLPCZLCYNNMCR-ONEGZZNKSA-N 1 2 239.706 1.994 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1nncs1 ZINC000930739355 639888013 /nfs/dbraw/zinc/88/80/13/639888013.db2.gz MGYWVQZSUICRMH-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1nncs1 ZINC000930739355 639888020 /nfs/dbraw/zinc/88/80/20/639888020.db2.gz MGYWVQZSUICRMH-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](CCCc1cccnc1)Cc1n[nH]c(=O)o1 ZINC000930758757 639899231 /nfs/dbraw/zinc/89/92/31/639899231.db2.gz KSBYCHRANMSZQJ-UHFFFAOYSA-N 1 2 248.286 1.235 20 0 BDADLO C[N@@H+](CCCc1cccnc1)Cc1n[nH]c(=O)o1 ZINC000930758757 639899236 /nfs/dbraw/zinc/89/92/36/639899236.db2.gz KSBYCHRANMSZQJ-UHFFFAOYSA-N 1 2 248.286 1.235 20 0 BDADLO CCC(=O)N1CCN(Cc2cc(C)cc(C)[nH+]2)C1 ZINC000930759905 639899949 /nfs/dbraw/zinc/89/99/49/639899949.db2.gz CJWNRXJVTRQGQV-UHFFFAOYSA-N 1 2 247.342 1.710 20 0 BDADLO CCCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000912047476 639933721 /nfs/dbraw/zinc/93/37/21/639933721.db2.gz LYGAHXRJASOALL-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO OC[C@@H]1CCCCC[N@@H+]1Cc1nncs1 ZINC000930866203 639958394 /nfs/dbraw/zinc/95/83/94/639958394.db2.gz BZBXMXWWFOQXOQ-VIFPVBQESA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@@H]1CCCCC[N@H+]1Cc1nncs1 ZINC000930866203 639958398 /nfs/dbraw/zinc/95/83/98/639958398.db2.gz BZBXMXWWFOQXOQ-VIFPVBQESA-N 1 2 227.333 1.275 20 0 BDADLO C[C@@H]1CCCCN1NC(=O)CCn1cc[nH+]c1 ZINC000912147867 639974841 /nfs/dbraw/zinc/97/48/41/639974841.db2.gz JVHYUCWVYXEJNI-LLVKDONJSA-N 1 2 236.319 1.179 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(N)nc1)c1cscn1 ZINC000930965825 640001538 /nfs/dbraw/zinc/00/15/38/640001538.db2.gz VRZOQZWHSOLTKC-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCOCC1 ZINC000931129963 640070011 /nfs/dbraw/zinc/07/00/11/640070011.db2.gz IRBYRBZMASMTEZ-UHFFFAOYSA-N 1 2 245.282 1.425 20 0 BDADLO CC(C)OCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135745 640070667 /nfs/dbraw/zinc/07/06/67/640070667.db2.gz JKWFKQSIFZKDNV-NSHDSACASA-N 1 2 238.335 1.757 20 0 BDADLO CC(C)OCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135745 640070677 /nfs/dbraw/zinc/07/06/77/640070677.db2.gz JKWFKQSIFZKDNV-NSHDSACASA-N 1 2 238.335 1.757 20 0 BDADLO c1nnc([C@@H]2CCC[N@H+]2CCc2ccncc2)[nH]1 ZINC000931134583 640071542 /nfs/dbraw/zinc/07/15/42/640071542.db2.gz VKNOJEAVBGJTGN-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1nnc([C@@H]2CCC[N@@H+]2CCc2ccncc2)[nH]1 ZINC000931134583 640071548 /nfs/dbraw/zinc/07/15/48/640071548.db2.gz VKNOJEAVBGJTGN-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO C[C@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141015 640072073 /nfs/dbraw/zinc/07/20/73/640072073.db2.gz DUVBQYIKZWYLDO-MXWKQRLJSA-N 1 2 236.319 1.367 20 0 BDADLO C[C@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141015 640072077 /nfs/dbraw/zinc/07/20/77/640072077.db2.gz DUVBQYIKZWYLDO-MXWKQRLJSA-N 1 2 236.319 1.367 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CCF)C1 ZINC000912506955 640101194 /nfs/dbraw/zinc/10/11/94/640101194.db2.gz MYOIUBYAYUOAKX-SNVBAGLBSA-N 1 2 239.294 1.550 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCCO1 ZINC000912584975 640121972 /nfs/dbraw/zinc/12/19/72/640121972.db2.gz WBAGUDOPCIWLKK-HOSYDEDBSA-N 1 2 249.314 1.259 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)C[C@H]1C[C@@H](O)C1 ZINC000931268279 640122523 /nfs/dbraw/zinc/12/25/23/640122523.db2.gz UPTIIDCUTURCQK-DTORHVGOSA-N 1 2 242.269 1.563 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)C[C@H]1C[C@@H](O)C1 ZINC000931268279 640122529 /nfs/dbraw/zinc/12/25/29/640122529.db2.gz UPTIIDCUTURCQK-DTORHVGOSA-N 1 2 242.269 1.563 20 0 BDADLO CC/C=C(\F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614405 640138564 /nfs/dbraw/zinc/13/85/64/640138564.db2.gz NYEUUWBTRZCTDV-YHYXMXQVSA-N 1 2 239.294 1.998 20 0 BDADLO CCC(O)(CC)C[N@H+](C)Cc1nncs1 ZINC000931335226 640161813 /nfs/dbraw/zinc/16/18/13/640161813.db2.gz UQFPTYGNQOPTPP-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)Cc1nncs1 ZINC000931335226 640161816 /nfs/dbraw/zinc/16/18/16/640161816.db2.gz UQFPTYGNQOPTPP-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@H]2C[C@H]2C1 ZINC000912678986 640163805 /nfs/dbraw/zinc/16/38/05/640163805.db2.gz RQCAOAAIRMMNJD-QWRGUYRKSA-N 1 2 231.299 1.362 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1=CCCC1 ZINC000912690094 640166933 /nfs/dbraw/zinc/16/69/33/640166933.db2.gz GRSRVXGAVVAJGH-UHFFFAOYSA-N 1 2 205.261 1.179 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCc1ccco1 ZINC000912710923 640179375 /nfs/dbraw/zinc/17/93/75/640179375.db2.gz ZOEGIBKVDLCKQL-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931460510 640215904 /nfs/dbraw/zinc/21/59/04/640215904.db2.gz YDDIWHWBBMOSRG-LLGDCAAFSA-N 1 2 249.314 1.448 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931460510 640215906 /nfs/dbraw/zinc/21/59/06/640215906.db2.gz YDDIWHWBBMOSRG-LLGDCAAFSA-N 1 2 249.314 1.448 20 0 BDADLO CCC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)OCC ZINC000912975664 640259392 /nfs/dbraw/zinc/25/93/92/640259392.db2.gz KQEVDHTTWOZSNE-NSHDSACASA-N 1 2 239.319 1.274 20 0 BDADLO Cc1c[nH]c(CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000913208563 640335603 /nfs/dbraw/zinc/33/56/03/640335603.db2.gz GVUNEJNVQORSQJ-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO CC[C@H](CO)[NH2+]Cc1noc(C(C)C)n1 ZINC000931766855 640358780 /nfs/dbraw/zinc/35/87/80/640358780.db2.gz LMIFYPLJXATSMA-MRVPVSSYSA-N 1 2 213.281 1.054 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000931773084 640366477 /nfs/dbraw/zinc/36/64/77/640366477.db2.gz NLYDOZRAXUHBFJ-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(c2ccccc2)C1 ZINC000913429097 640369897 /nfs/dbraw/zinc/36/98/97/640369897.db2.gz NDLNIBWUMMTUFP-UHFFFAOYSA-N 1 2 241.294 1.578 20 0 BDADLO CN(CC(F)F)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931932889 640393474 /nfs/dbraw/zinc/39/34/74/640393474.db2.gz DBYMXKIRXNYHDB-UHFFFAOYSA-N 1 2 239.225 1.900 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000054764766 640405280 /nfs/dbraw/zinc/40/52/80/640405280.db2.gz BGBXSMDHSOMHAR-LLVKDONJSA-N 1 2 231.303 1.310 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)OC ZINC000163955853 640432475 /nfs/dbraw/zinc/43/24/75/640432475.db2.gz PISLRCBWXDOQGL-VLEAKVRGSA-N 1 2 243.347 1.323 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000156346220 640435809 /nfs/dbraw/zinc/43/58/09/640435809.db2.gz DOYXBRRQFZBQKR-WDEREUQCSA-N 1 2 231.336 1.325 20 0 BDADLO O=C(NC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000932229515 640452045 /nfs/dbraw/zinc/45/20/45/640452045.db2.gz APQYZONKZJIUAG-UHFFFAOYSA-N 1 2 215.256 1.845 20 0 BDADLO Cn1cncc1C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932268381 640467661 /nfs/dbraw/zinc/46/76/61/640467661.db2.gz MXTFUKYGUMHBHW-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cncc1C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932268381 640467662 /nfs/dbraw/zinc/46/76/62/640467662.db2.gz MXTFUKYGUMHBHW-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932334516 640478073 /nfs/dbraw/zinc/47/80/73/640478073.db2.gz GKBJTKJDKSRTPA-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932334516 640478081 /nfs/dbraw/zinc/47/80/81/640478081.db2.gz GKBJTKJDKSRTPA-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cscn2)CCO1 ZINC000932350603 640494748 /nfs/dbraw/zinc/49/47/48/640494748.db2.gz UWPOHHUYRNYGNJ-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cscn2)CCO1 ZINC000932350603 640494754 /nfs/dbraw/zinc/49/47/54/640494754.db2.gz UWPOHHUYRNYGNJ-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000164872558 640512478 /nfs/dbraw/zinc/51/24/78/640512478.db2.gz CIGCWOYYXDGACI-VIFPVBQESA-N 1 2 219.292 1.477 20 0 BDADLO CCCNc1cc(N(C)CC(C)(C)O)nc[nH+]1 ZINC000156868343 640515305 /nfs/dbraw/zinc/51/53/05/640515305.db2.gz YADUPRQNHKXJPQ-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO CCCNc1cc(N(C)CC(C)(C)O)[nH+]cn1 ZINC000156868343 640515310 /nfs/dbraw/zinc/51/53/10/640515310.db2.gz YADUPRQNHKXJPQ-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO CCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001030036059 640523820 /nfs/dbraw/zinc/52/38/20/640523820.db2.gz QLRPOBWIWPWEDB-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CC(=O)NC1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001030039562 640529856 /nfs/dbraw/zinc/52/98/56/640529856.db2.gz HWMITLPEMCESAP-AWEZNQCLSA-N 1 2 248.301 1.633 20 0 BDADLO CC1(C(=O)NCCc2[nH]cc[nH+]2)CC=CC1 ZINC000932475697 640543280 /nfs/dbraw/zinc/54/32/80/640543280.db2.gz RNUYOASURZVTBD-UHFFFAOYSA-N 1 2 219.288 1.425 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2ccncc2)C1 ZINC001030051778 640548114 /nfs/dbraw/zinc/54/81/14/640548114.db2.gz SSAQFKBRGVYQQG-UHFFFAOYSA-N 1 2 245.326 1.462 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccccc2C)C1 ZINC001030069183 640572951 /nfs/dbraw/zinc/57/29/51/640572951.db2.gz ZGEYTULRKSFGLL-UHFFFAOYSA-N 1 2 218.300 1.429 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602348 640583817 /nfs/dbraw/zinc/58/38/17/640583817.db2.gz CBLZBWWQKJGGNV-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602348 640583824 /nfs/dbraw/zinc/58/38/24/640583824.db2.gz CBLZBWWQKJGGNV-UHFFFAOYSA-N 1 2 243.314 1.499 20 0 BDADLO OC1(C2CCC2)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000932813115 640612966 /nfs/dbraw/zinc/61/29/66/640612966.db2.gz DBTBMFAONCZZLG-UHFFFAOYSA-N 1 2 235.331 1.537 20 0 BDADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)C=CCC1 ZINC000932827272 640614119 /nfs/dbraw/zinc/61/41/19/640614119.db2.gz SMARHAARNLRZJW-CYBMUJFWSA-N 1 2 231.299 1.623 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2cnc(C)[nH]2)C1 ZINC001030158121 640640582 /nfs/dbraw/zinc/64/05/82/640640582.db2.gz JPLAARDAUMYJIY-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccc(Cl)o2)CC[N@@H+]1C ZINC000224994004 640653979 /nfs/dbraw/zinc/65/39/79/640653979.db2.gz JXSQXABMBRIPLW-MRVPVSSYSA-N 1 2 242.706 1.709 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccc(Cl)o2)CC[N@H+]1C ZINC000224994004 640653984 /nfs/dbraw/zinc/65/39/84/640653984.db2.gz JXSQXABMBRIPLW-MRVPVSSYSA-N 1 2 242.706 1.709 20 0 BDADLO CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC000932971349 640655350 /nfs/dbraw/zinc/65/53/50/640655350.db2.gz LYCDBBGVKSYIIO-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(CC)[nH]2)C1 ZINC000932971349 640655354 /nfs/dbraw/zinc/65/53/54/640655354.db2.gz LYCDBBGVKSYIIO-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(C)no1 ZINC000933215313 640683139 /nfs/dbraw/zinc/68/31/39/640683139.db2.gz CAGJFTQYKXGVJX-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(C)no1 ZINC000933215313 640683144 /nfs/dbraw/zinc/68/31/44/640683144.db2.gz CAGJFTQYKXGVJX-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nn2)CCCO1 ZINC000167404463 640716980 /nfs/dbraw/zinc/71/69/80/640716980.db2.gz CWTRJVIFYWHDCT-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)CCCO1 ZINC000167404463 640716985 /nfs/dbraw/zinc/71/69/85/640716985.db2.gz CWTRJVIFYWHDCT-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C=CCC1 ZINC000933994511 640801316 /nfs/dbraw/zinc/80/13/16/640801316.db2.gz XSJJMMFRPLZWQR-GFCCVEGCSA-N 1 2 219.288 1.691 20 0 BDADLO O=C(C[N@H+](Cc1ccoc1)C1CC1)N1CCCC1 ZINC000934002348 640803315 /nfs/dbraw/zinc/80/33/15/640803315.db2.gz SJVVURHPOFROAT-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO O=C(C[N@@H+](Cc1ccoc1)C1CC1)N1CCCC1 ZINC000934002348 640803320 /nfs/dbraw/zinc/80/33/20/640803320.db2.gz SJVVURHPOFROAT-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO c1cc(C[N@@H+](CC2OCCO2)C2CC2)co1 ZINC000934001919 640803395 /nfs/dbraw/zinc/80/33/95/640803395.db2.gz LJZDUCGUNUNPBN-UHFFFAOYSA-N 1 2 223.272 1.617 20 0 BDADLO c1cc(C[N@H+](CC2OCCO2)C2CC2)co1 ZINC000934001919 640803398 /nfs/dbraw/zinc/80/33/98/640803398.db2.gz LJZDUCGUNUNPBN-UHFFFAOYSA-N 1 2 223.272 1.617 20 0 BDADLO CC[NH+]1CC(NC(=O)c2conc2C(C)C)C1 ZINC001030437042 640859281 /nfs/dbraw/zinc/85/92/81/640859281.db2.gz WESOGHHPQMCUHA-UHFFFAOYSA-N 1 2 237.303 1.232 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2onc(C)c2C)C1 ZINC001030497284 640884802 /nfs/dbraw/zinc/88/48/02/640884802.db2.gz RFLLPTXKKLVMAG-UHFFFAOYSA-N 1 2 237.303 1.115 20 0 BDADLO CCC[NH+]1CC(NC(=O)C2(F)CCCC2)C1 ZINC001030579223 640926666 /nfs/dbraw/zinc/92/66/66/640926666.db2.gz YLMSGJKMOZNTRA-UHFFFAOYSA-N 1 2 228.311 1.479 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000170930686 640939860 /nfs/dbraw/zinc/93/98/60/640939860.db2.gz ODEOJKLJNAUEGK-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000170930686 640939863 /nfs/dbraw/zinc/93/98/63/640939863.db2.gz ODEOJKLJNAUEGK-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC[C@H]1CC ZINC000087638708 640951826 /nfs/dbraw/zinc/95/18/26/640951826.db2.gz PABXZXXLMARALL-MVIFTORASA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC[C@H]1CC ZINC000087638708 640951831 /nfs/dbraw/zinc/95/18/31/640951831.db2.gz PABXZXXLMARALL-MVIFTORASA-N 1 2 227.304 1.217 20 0 BDADLO CCCNc1cc(N[C@H](C)CO)nc[nH+]1 ZINC000087811453 641050316 /nfs/dbraw/zinc/05/03/16/641050316.db2.gz NOSQDMCVECREKL-MRVPVSSYSA-N 1 2 210.281 1.091 20 0 BDADLO CCCNc1cc(N[C@H](C)CO)[nH+]cn1 ZINC000087811453 641050320 /nfs/dbraw/zinc/05/03/20/641050320.db2.gz NOSQDMCVECREKL-MRVPVSSYSA-N 1 2 210.281 1.091 20 0 BDADLO CCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000087811132 641050529 /nfs/dbraw/zinc/05/05/29/641050529.db2.gz BPRUEHGRCGTAGE-MRVPVSSYSA-N 1 2 210.281 1.091 20 0 BDADLO CCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000087811132 641050534 /nfs/dbraw/zinc/05/05/34/641050534.db2.gz BPRUEHGRCGTAGE-MRVPVSSYSA-N 1 2 210.281 1.091 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103507 641066372 /nfs/dbraw/zinc/06/63/72/641066372.db2.gz BMXNAJYGDOTLEH-NXEZZACHSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103507 641066375 /nfs/dbraw/zinc/06/63/75/641066375.db2.gz BMXNAJYGDOTLEH-NXEZZACHSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106364 641067654 /nfs/dbraw/zinc/06/76/54/641067654.db2.gz TXVPCJMODGDEQY-QWRGUYRKSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106364 641067660 /nfs/dbraw/zinc/06/76/60/641067660.db2.gz TXVPCJMODGDEQY-QWRGUYRKSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106366 641068871 /nfs/dbraw/zinc/06/88/71/641068871.db2.gz TXVPCJMODGDEQY-WDEREUQCSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106366 641068876 /nfs/dbraw/zinc/06/88/76/641068876.db2.gz TXVPCJMODGDEQY-WDEREUQCSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106361 641069220 /nfs/dbraw/zinc/06/92/20/641069220.db2.gz TXVPCJMODGDEQY-GHMZBOCLSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106361 641069226 /nfs/dbraw/zinc/06/92/26/641069226.db2.gz TXVPCJMODGDEQY-GHMZBOCLSA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nccn1C ZINC000934112898 641076769 /nfs/dbraw/zinc/07/67/69/641076769.db2.gz WSWBIJAGJFRZNR-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nccn1C ZINC000934112898 641076771 /nfs/dbraw/zinc/07/67/71/641076771.db2.gz WSWBIJAGJFRZNR-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nccc(C)n1 ZINC000934113496 641077776 /nfs/dbraw/zinc/07/77/76/641077776.db2.gz BCUSDOXTSFRXQF-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nccc(C)n1 ZINC000934113496 641077780 /nfs/dbraw/zinc/07/77/80/641077780.db2.gz BCUSDOXTSFRXQF-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127241 641086376 /nfs/dbraw/zinc/08/63/76/641086376.db2.gz UBEQIQXCGRYEEV-ZJUUUORDSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127241 641086386 /nfs/dbraw/zinc/08/63/86/641086386.db2.gz UBEQIQXCGRYEEV-ZJUUUORDSA-N 1 2 239.319 1.802 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)o1 ZINC000934125452 641087541 /nfs/dbraw/zinc/08/75/41/641087541.db2.gz GXTSOHSLUZIJJO-BDAKNGLRSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)o1 ZINC000934125452 641087546 /nfs/dbraw/zinc/08/75/46/641087546.db2.gz GXTSOHSLUZIJJO-BDAKNGLRSA-N 1 2 225.292 1.241 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)Cc1cccnc1)C(=O)OC ZINC000934231234 641108125 /nfs/dbraw/zinc/10/81/25/641108125.db2.gz NYQRXTKZZGCOPV-CMPLNLGQSA-N 1 2 236.315 1.554 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)CC[C@@H]1O ZINC000231284925 641155159 /nfs/dbraw/zinc/15/51/59/641155159.db2.gz YSTZYLBCEYAYEC-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)CC[C@@H]1O ZINC000231284925 641155160 /nfs/dbraw/zinc/15/51/60/641155160.db2.gz YSTZYLBCEYAYEC-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934475045 641168040 /nfs/dbraw/zinc/16/80/40/641168040.db2.gz IMGRTICJRXZLDD-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934475045 641168043 /nfs/dbraw/zinc/16/80/43/641168043.db2.gz IMGRTICJRXZLDD-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)cn1 ZINC000934481595 641171538 /nfs/dbraw/zinc/17/15/38/641171538.db2.gz ISOAWLHLPQWPPX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@]2(C)C2CC2)cn1 ZINC000934481595 641171541 /nfs/dbraw/zinc/17/15/41/641171541.db2.gz ISOAWLHLPQWPPX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000932976887 641172525 /nfs/dbraw/zinc/17/25/25/641172525.db2.gz HEVHDJGZOUWIFG-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000932976887 641172534 /nfs/dbraw/zinc/17/25/34/641172534.db2.gz HEVHDJGZOUWIFG-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cccs1)C1CC1 ZINC000231789050 641202552 /nfs/dbraw/zinc/20/25/52/641202552.db2.gz FMFLAXWLZOIHMW-NSHDSACASA-N 1 2 239.340 1.832 20 0 BDADLO O=C(NC[C@@H](O)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000934653188 641235894 /nfs/dbraw/zinc/23/58/94/641235894.db2.gz GAGVVBCZKTWEAQ-GFCCVEGCSA-N 1 2 245.282 1.064 20 0 BDADLO C[C@H](CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934818401 641277422 /nfs/dbraw/zinc/27/74/22/641277422.db2.gz AGWOAVUBZXRTGU-MRVPVSSYSA-N 1 2 233.271 1.064 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)C1CC1 ZINC000934818877 641278435 /nfs/dbraw/zinc/27/84/35/641278435.db2.gz NSWWCNZZYIXIJZ-JTQLQIEISA-N 1 2 229.320 1.077 20 0 BDADLO COCC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000934891662 641297462 /nfs/dbraw/zinc/29/74/62/641297462.db2.gz UHTXJYKYQUEIHV-UHFFFAOYSA-N 1 2 245.282 1.472 20 0 BDADLO Cc1cc(NC(=O)COC(F)(F)F)c(C)c[nH+]1 ZINC000935017383 641319499 /nfs/dbraw/zinc/31/94/99/641319499.db2.gz SLYZPLMKAGDGCQ-UHFFFAOYSA-N 1 2 248.204 1.595 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC001030755760 641337395 /nfs/dbraw/zinc/33/73/95/641337395.db2.gz FJYFGDTVQBRMHV-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO CC[C@@](C)(CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935105478 641340124 /nfs/dbraw/zinc/34/01/24/641340124.db2.gz YYCDYNATJWZFTE-ZDUSSCGKSA-N 1 2 247.298 1.454 20 0 BDADLO COC(=O)C[N@@H+](CC(OC)OC)C1CCCC1 ZINC000151981490 641501349 /nfs/dbraw/zinc/50/13/49/641501349.db2.gz FHDYUOMVWPFQSX-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO COC(=O)C[N@H+](CC(OC)OC)C1CCCC1 ZINC000151981490 641501353 /nfs/dbraw/zinc/50/13/53/641501353.db2.gz FHDYUOMVWPFQSX-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C)CC=CC1 ZINC000936024453 641520520 /nfs/dbraw/zinc/52/05/20/641520520.db2.gz LVYMIRDGVMHNTM-UHFFFAOYSA-N 1 2 219.288 1.393 20 0 BDADLO CCONC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000040513709 641532670 /nfs/dbraw/zinc/53/26/70/641532670.db2.gz SVHUOSYLZQVBDG-UHFFFAOYSA-N 1 2 245.282 1.613 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(OC)c2C)C1 ZINC001031015522 641596091 /nfs/dbraw/zinc/59/60/91/641596091.db2.gz YRPQVQBVZNQLHO-UHFFFAOYSA-N 1 2 248.326 1.438 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152594328 641621350 /nfs/dbraw/zinc/62/13/50/641621350.db2.gz JNBURTHRTILCDU-SECBINFHSA-N 1 2 237.303 1.429 20 0 BDADLO Cc1ccc(NC(=O)c2cocn2)c(N(C)C)[nH+]1 ZINC000152704506 641634544 /nfs/dbraw/zinc/63/45/44/641634544.db2.gz ANBOHRXAZFNZLO-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1C[C@H]1C1CC1 ZINC001031080866 641685792 /nfs/dbraw/zinc/68/57/92/641685792.db2.gz SGMCYZVJVULFKE-NWDGAFQWSA-N 1 2 240.322 1.193 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914432769 641701961 /nfs/dbraw/zinc/70/19/61/641701961.db2.gz DNAQWVDZKBJQGJ-NWDGAFQWSA-N 1 2 221.304 1.233 20 0 BDADLO CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000049369595 641716756 /nfs/dbraw/zinc/71/67/56/641716756.db2.gz FPPLZCUMZYNTKV-UHFFFAOYSA-N 1 2 244.298 1.691 20 0 BDADLO CCCN1CC[N@H+](CCC(C)=O)C(C)(C)C1=O ZINC000187868870 641730106 /nfs/dbraw/zinc/73/01/06/641730106.db2.gz NTFFYWXXZWHWKM-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CCCN1CC[N@@H+](CCC(C)=O)C(C)(C)C1=O ZINC000187868870 641730111 /nfs/dbraw/zinc/73/01/11/641730111.db2.gz NTFFYWXXZWHWKM-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CCSC1 ZINC000187916454 641733383 /nfs/dbraw/zinc/73/33/83/641733383.db2.gz JNWPFFQXHOQCGQ-UWVGGRQHSA-N 1 2 231.361 1.669 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000835351095 641792629 /nfs/dbraw/zinc/79/26/29/641792629.db2.gz XCXHBKLMFARSNB-NXEZZACHSA-N 1 2 208.261 1.472 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001031237065 641835634 /nfs/dbraw/zinc/83/56/34/641835634.db2.gz REXCSFXOOKYOEK-JTQLQIEISA-N 1 2 224.348 1.633 20 0 BDADLO CCN(C(C)=O)C1C[NH+](Cc2cccnc2C)C1 ZINC000949544493 641840058 /nfs/dbraw/zinc/84/00/58/641840058.db2.gz OKRXAWKGANJMQN-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CCN(C(=O)C1CC1)C1C[NH+](CC=C(C)C)C1 ZINC000949547927 641842549 /nfs/dbraw/zinc/84/25/49/641842549.db2.gz MQLLYURAUYAWRQ-UHFFFAOYSA-N 1 2 236.359 1.895 20 0 BDADLO C/C(=C\C(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000788048273 641868023 /nfs/dbraw/zinc/86/80/23/641868023.db2.gz YNDUODLQUXXTLC-JXMROGBWSA-N 1 2 234.299 1.862 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1ccccc1C ZINC000732822327 641872988 /nfs/dbraw/zinc/87/29/88/641872988.db2.gz LLIKRPICOOADNH-CQSZACIVSA-N 1 2 245.326 1.850 20 0 BDADLO CC(C)(C)c1noc(OCc2ccc(N)[nH+]c2)n1 ZINC000917015665 641993379 /nfs/dbraw/zinc/99/33/79/641993379.db2.gz KQDRLAYYDPNTGB-UHFFFAOYSA-N 1 2 248.286 1.923 20 0 BDADLO Cc1[nH]c(CSc2cn[nH]n2)c(C)[nH+]1 ZINC000917174456 642026951 /nfs/dbraw/zinc/02/69/51/642026951.db2.gz VXJZFZACEOMQKV-UHFFFAOYSA-N 1 2 209.278 1.437 20 0 BDADLO Cc1[nH]c(CSc2c[nH]nn2)c(C)[nH+]1 ZINC000917174456 642026959 /nfs/dbraw/zinc/02/69/59/642026959.db2.gz VXJZFZACEOMQKV-UHFFFAOYSA-N 1 2 209.278 1.437 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cncnc2C(C)C)C1 ZINC001031398921 642075150 /nfs/dbraw/zinc/07/51/50/642075150.db2.gz BDOFORSALUFELY-UHFFFAOYSA-N 1 2 248.330 1.034 20 0 BDADLO CCc1ccsc1C(=O)NC1C[NH+](CC)C1 ZINC001031429609 642130529 /nfs/dbraw/zinc/13/05/29/642130529.db2.gz LYGYSMCKAVVEBL-UHFFFAOYSA-N 1 2 238.356 1.744 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001031447267 642165217 /nfs/dbraw/zinc/16/52/17/642165217.db2.gz VJUJWKSPGHNWFR-XIVSLSHWSA-N 1 2 236.359 1.633 20 0 BDADLO Cc1ccnc(SCC[NH+]2CCOCC2)c1 ZINC000918757116 642262484 /nfs/dbraw/zinc/26/24/84/642262484.db2.gz WFXZSDOOPDMLIE-UHFFFAOYSA-N 1 2 238.356 1.814 20 0 BDADLO CCN(Cc1c[nH+]cn1C)C(C)(C)C(=O)OC ZINC000933187803 642378669 /nfs/dbraw/zinc/37/86/69/642378669.db2.gz NUNOEVYDTATPRG-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@@H]1CCC[C@H]1O ZINC000930094973 642381844 /nfs/dbraw/zinc/38/18/44/642381844.db2.gz APZZDAIPJAFSPG-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@@H]1CCC[C@H]1O ZINC000930094973 642381848 /nfs/dbraw/zinc/38/18/48/642381848.db2.gz APZZDAIPJAFSPG-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO CCn1cnc2c1CC[N@H+](Cc1cc[nH]n1)C2 ZINC000933254433 642425017 /nfs/dbraw/zinc/42/50/17/642425017.db2.gz BWRZHGUSUSSJCI-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1cnc2c1CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000933254433 642425021 /nfs/dbraw/zinc/42/50/21/642425021.db2.gz BWRZHGUSUSSJCI-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000891402216 642476060 /nfs/dbraw/zinc/47/60/60/642476060.db2.gz PMPPZKVXAULABT-AOOOYVTPSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000891402216 642476062 /nfs/dbraw/zinc/47/60/62/642476062.db2.gz PMPPZKVXAULABT-AOOOYVTPSA-N 1 2 225.288 1.897 20 0 BDADLO CC[C@H](CO)Nc1cc(NCC(C)C)[nH+]cn1 ZINC000891421489 642515775 /nfs/dbraw/zinc/51/57/75/642515775.db2.gz GDJCKDGORGGRNJ-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@H](CO)Nc1cc(NCC(C)C)nc[nH+]1 ZINC000891421489 642515781 /nfs/dbraw/zinc/51/57/81/642515781.db2.gz GDJCKDGORGGRNJ-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000921374918 642605374 /nfs/dbraw/zinc/60/53/74/642605374.db2.gz CILZOLLBBDDYIG-SDDRHHMPSA-N 1 2 233.315 1.578 20 0 BDADLO CC(C)=CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179514267 642721721 /nfs/dbraw/zinc/72/17/21/642721721.db2.gz QQPUXAINFOHSOM-LLVKDONJSA-N 1 2 227.304 1.217 20 0 BDADLO OC[C@@H](CC(F)F)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353590461 642879892 /nfs/dbraw/zinc/87/98/92/642879892.db2.gz UFHGKTXWXBIZRL-VXNVDRBHSA-N 1 2 245.273 1.393 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCSC2)n1 ZINC000070004940 642948376 /nfs/dbraw/zinc/94/83/76/642948376.db2.gz DVSLOJMLTQYZBZ-SSDOTTSWSA-N 1 2 213.306 1.400 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182289938 642990087 /nfs/dbraw/zinc/99/00/87/642990087.db2.gz CQUQYLUNOHBAHL-NEPJUHHUSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1coc(C(=O)NCC2C[NH+](CCF)C2)c1 ZINC001031911094 643043213 /nfs/dbraw/zinc/04/32/13/643043213.db2.gz BKTROZDXAAXSQA-UHFFFAOYSA-N 1 2 240.278 1.219 20 0 BDADLO C[N@H+](Cc1ccoc1)CC(C)(C)S(C)(=O)=O ZINC000092403716 643123843 /nfs/dbraw/zinc/12/38/43/643123843.db2.gz DTWXEAZGPBZPSN-UHFFFAOYSA-N 1 2 245.344 1.535 20 0 BDADLO C[N@@H+](Cc1ccoc1)CC(C)(C)S(C)(=O)=O ZINC000092403716 643123846 /nfs/dbraw/zinc/12/38/46/643123846.db2.gz DTWXEAZGPBZPSN-UHFFFAOYSA-N 1 2 245.344 1.535 20 0 BDADLO CS[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000081466916 643222493 /nfs/dbraw/zinc/22/24/93/643222493.db2.gz NCJLXAFKPMMIQZ-UWVGGRQHSA-N 1 2 239.344 1.283 20 0 BDADLO Cc1ccn(C[NH+]2CCC(C)CC2)c(=O)c1C#N ZINC000184677317 643228565 /nfs/dbraw/zinc/22/85/65/643228565.db2.gz PNVONVZUZAASBM-UHFFFAOYSA-N 1 2 245.326 1.718 20 0 BDADLO C[N@H+](CC(F)F)C1CCN(CC#N)CC1 ZINC000081546958 643237244 /nfs/dbraw/zinc/23/72/44/643237244.db2.gz REROHBCAUKOMOS-UHFFFAOYSA-N 1 2 217.263 1.171 20 0 BDADLO C[N@@H+](CC(F)F)C1CCN(CC#N)CC1 ZINC000081546958 643237249 /nfs/dbraw/zinc/23/72/49/643237249.db2.gz REROHBCAUKOMOS-UHFFFAOYSA-N 1 2 217.263 1.171 20 0 BDADLO COCC1=CC[N@H+](Cn2cc[nH]c2=S)CC1 ZINC000185039849 643262411 /nfs/dbraw/zinc/26/24/11/643262411.db2.gz VLVKRIQJFNGEGM-UHFFFAOYSA-N 1 2 239.344 1.408 20 0 BDADLO COCC1=CC[N@@H+](Cn2cc[nH]c2=S)CC1 ZINC000185039849 643262418 /nfs/dbraw/zinc/26/24/18/643262418.db2.gz VLVKRIQJFNGEGM-UHFFFAOYSA-N 1 2 239.344 1.408 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000082797685 643381878 /nfs/dbraw/zinc/38/18/78/643381878.db2.gz DRGXLNHRFJYOTC-SNVBAGLBSA-N 1 2 219.284 1.779 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000082797685 643381883 /nfs/dbraw/zinc/38/18/83/643381883.db2.gz DRGXLNHRFJYOTC-SNVBAGLBSA-N 1 2 219.284 1.779 20 0 BDADLO CC(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001032281720 643440202 /nfs/dbraw/zinc/44/02/02/643440202.db2.gz DTNVHNJHNKVNEX-SEUFLZDSSA-N 1 2 242.750 1.680 20 0 BDADLO CC(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001032281720 643440211 /nfs/dbraw/zinc/44/02/11/643440211.db2.gz DTNVHNJHNKVNEX-SEUFLZDSSA-N 1 2 242.750 1.680 20 0 BDADLO CCc1nsc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000382484232 643504259 /nfs/dbraw/zinc/50/42/59/643504259.db2.gz GHIHOLINUVEBPX-SFYZADRCSA-N 1 2 226.349 1.204 20 0 BDADLO ClC1(Cl)C[C@@H]1C[NH+]1CCOCC1 ZINC000307707410 643583166 /nfs/dbraw/zinc/58/31/66/643583166.db2.gz HIZVKUMJJIHANR-SSDOTTSWSA-N 1 2 210.104 1.512 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000289580484 643611151 /nfs/dbraw/zinc/61/11/51/643611151.db2.gz SMOPBQSCEDRKPB-UHFFFAOYSA-N 1 2 235.262 1.853 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@H]2C)n1 ZINC000086761048 643638189 /nfs/dbraw/zinc/63/81/89/643638189.db2.gz GXNMHQWXESMCPT-JGVFFNPUSA-N 1 2 211.265 1.072 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000255203882 643641910 /nfs/dbraw/zinc/64/19/10/643641910.db2.gz GOKNREQMYDODNY-MTCWXPTMSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000255203882 643641913 /nfs/dbraw/zinc/64/19/13/643641913.db2.gz GOKNREQMYDODNY-MTCWXPTMSA-N 1 2 231.723 1.619 20 0 BDADLO CN(CCC(F)(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000352290733 643660431 /nfs/dbraw/zinc/66/04/31/643660431.db2.gz SZYNTZMGNQLMFA-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO CN(CCC(F)(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000352290733 643660435 /nfs/dbraw/zinc/66/04/35/643660435.db2.gz SZYNTZMGNQLMFA-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO CC(=O)NCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001000349505 643777065 /nfs/dbraw/zinc/77/70/65/643777065.db2.gz SQTFTPWHRBYWOK-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO CC(=O)NCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001000349505 643777069 /nfs/dbraw/zinc/77/70/69/643777069.db2.gz SQTFTPWHRBYWOK-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cnc(C)c(C)c1 ZINC000921874854 643815112 /nfs/dbraw/zinc/81/51/12/643815112.db2.gz OTCLNTWTLMKDBO-UHFFFAOYSA-N 1 2 244.298 1.911 20 0 BDADLO CC(=O)CCC(=O)OCc1ccc[nH+]c1N ZINC000922179856 643893837 /nfs/dbraw/zinc/89/38/37/643893837.db2.gz MKKZTQMXPMWLBD-UHFFFAOYSA-N 1 2 222.244 1.076 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1csnn1 ZINC000922185362 643896567 /nfs/dbraw/zinc/89/65/67/643896567.db2.gz WQWQGBRQOPXGCT-ZETCQYMHSA-N 1 2 236.300 1.490 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)c(C)c1 ZINC000922274681 643944057 /nfs/dbraw/zinc/94/40/57/643944057.db2.gz JMAHPRBMFMDOAR-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO CCc1n[nH]cc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922336839 643975560 /nfs/dbraw/zinc/97/55/60/643975560.db2.gz DOTDGOVIDSFXOY-UHFFFAOYSA-N 1 2 246.270 1.306 20 0 BDADLO CCO[C@@H](CC)C(=O)OCc1ccc[nH+]c1N ZINC000922383440 643983658 /nfs/dbraw/zinc/98/36/58/643983658.db2.gz XPICUPMGOXTXSE-JTQLQIEISA-N 1 2 238.287 1.522 20 0 BDADLO Nc1ccc(COC(=O)CCC2CC2)c[nH+]1 ZINC000922465642 643998052 /nfs/dbraw/zinc/99/80/52/643998052.db2.gz ZRCFVTADOQNCNQ-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO CCC(C)(CC)C(=O)NCCn1cc[nH+]c1 ZINC000158629825 644001595 /nfs/dbraw/zinc/00/15/95/644001595.db2.gz IHDZVRXPAPGBMP-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO C[C@]1(C(=O)OCc2ccc[nH+]c2N)CCOC1 ZINC000922607614 644040601 /nfs/dbraw/zinc/04/06/01/644040601.db2.gz QHQVNTHKPFWODS-LBPRGKRZSA-N 1 2 236.271 1.134 20 0 BDADLO Cn1ncnc1C[NH2+]C(C)(C)/C=C\Cl ZINC000922644411 644049699 /nfs/dbraw/zinc/04/96/99/644049699.db2.gz HTYLMNRQOIEEIV-PLNGDYQASA-N 1 2 214.700 1.436 20 0 BDADLO CC(F)(F)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922649778 644058362 /nfs/dbraw/zinc/05/83/62/644058362.db2.gz SGSSVFVTVJERNS-UHFFFAOYSA-N 1 2 230.214 1.752 20 0 BDADLO CC(C)/C=C/C(=O)OCc1ccc(N)[nH+]c1 ZINC000922655933 644059361 /nfs/dbraw/zinc/05/93/61/644059361.db2.gz INGACCOVMQAOGK-ZZXKWVIFSA-N 1 2 220.272 1.919 20 0 BDADLO CC(C)(C(=O)OCc1ccc[nH+]c1N)C(F)F ZINC000922683756 644065082 /nfs/dbraw/zinc/06/50/82/644065082.db2.gz FDHYAOQOKOYZFC-UHFFFAOYSA-N 1 2 244.241 1.998 20 0 BDADLO C[C@@]1(C(=O)OCc2ccc(N)[nH+]c2)CC1(F)F ZINC000922808245 644101531 /nfs/dbraw/zinc/10/15/31/644101531.db2.gz WUVLBQLPYVKVNO-JTQLQIEISA-N 1 2 242.225 1.752 20 0 BDADLO Nc1ccc(COC(=O)/C=C/[C@@H]2CCCO2)c[nH+]1 ZINC000922816307 644107350 /nfs/dbraw/zinc/10/73/50/644107350.db2.gz OEWJVOGPKILTHD-MALLOTDXSA-N 1 2 248.282 1.442 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCC(=O)C1 ZINC000922833488 644112296 /nfs/dbraw/zinc/11/22/96/644112296.db2.gz IJAGUYSVOIPJCI-MRVPVSSYSA-N 1 2 234.255 1.076 20 0 BDADLO Nc1ccc(COC(=O)CCCF)c[nH+]1 ZINC000922870124 644124276 /nfs/dbraw/zinc/12/42/76/644124276.db2.gz NUFBSMNISLPUMS-UHFFFAOYSA-N 1 2 212.224 1.457 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922942213 644195795 /nfs/dbraw/zinc/19/57/95/644195795.db2.gz SLCQJRGGKMLRDU-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@H]1CO[C@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922942212 644196469 /nfs/dbraw/zinc/19/64/69/644196469.db2.gz SLCQJRGGKMLRDU-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO CCOC(=O)C[N@H+](CC)C/C=C(\C)COC ZINC000929360187 644270045 /nfs/dbraw/zinc/27/00/45/644270045.db2.gz MQHATSKBFLEHLP-YRNVUSSQSA-N 1 2 229.320 1.464 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C/C=C(\C)COC ZINC000929360187 644270048 /nfs/dbraw/zinc/27/00/48/644270048.db2.gz MQHATSKBFLEHLP-YRNVUSSQSA-N 1 2 229.320 1.464 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC(C)=O ZINC000194075364 644297154 /nfs/dbraw/zinc/29/71/54/644297154.db2.gz ROWDVOGIIXKUAH-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC(C)=O ZINC000194075364 644297162 /nfs/dbraw/zinc/29/71/62/644297162.db2.gz ROWDVOGIIXKUAH-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO Cc1ccc(N(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC000081027045 644302592 /nfs/dbraw/zinc/30/25/92/644302592.db2.gz XWPROSZWCCMSQY-UHFFFAOYSA-N 1 2 229.283 1.855 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)C[C@H](C)O)c1Cl ZINC000084275472 644422790 /nfs/dbraw/zinc/42/27/90/644422790.db2.gz FMVSSVDIVXVARI-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)C[C@H](C)O)c1Cl ZINC000084275472 644422792 /nfs/dbraw/zinc/42/27/92/644422792.db2.gz FMVSSVDIVXVARI-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000923440492 644433533 /nfs/dbraw/zinc/43/35/33/644433533.db2.gz HRCDGAIHOAMEPD-GMTAPVOTSA-N 1 2 238.287 1.097 20 0 BDADLO CC[C@@H](CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494203 644443518 /nfs/dbraw/zinc/44/35/18/644443518.db2.gz METZOKYPRXQIMF-BDAKNGLRSA-N 1 2 217.309 1.077 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCO[C@H]2C)n1 ZINC000086761050 644471440 /nfs/dbraw/zinc/47/14/40/644471440.db2.gz GXNMHQWXESMCPT-YUMQZZPRSA-N 1 2 211.265 1.072 20 0 BDADLO CC(=O)C1CC[NH+](Cc2nccs2)CC1 ZINC000087376987 644492785 /nfs/dbraw/zinc/49/27/85/644492785.db2.gz WTSPREIHAAPVQZ-UHFFFAOYSA-N 1 2 224.329 1.944 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087620251 644499365 /nfs/dbraw/zinc/49/93/65/644499365.db2.gz DWKUCQPASJJGHD-GXSJLCMTSA-N 1 2 231.361 1.813 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NN1CCCCC1 ZINC000089542790 644556617 /nfs/dbraw/zinc/55/66/17/644556617.db2.gz JYAZSYDUJVDHAM-UHFFFAOYSA-N 1 2 236.319 1.180 20 0 BDADLO CC(=O)CCCC(=O)OCc1c[nH+]cn1C ZINC000755812997 644620537 /nfs/dbraw/zinc/62/05/37/644620537.db2.gz YHIKQKVSUVRPNE-UHFFFAOYSA-N 1 2 224.260 1.223 20 0 BDADLO CC[N@H+](CC(=O)N(C)OC)Cc1ccoc1 ZINC000091554119 644629828 /nfs/dbraw/zinc/62/98/28/644629828.db2.gz PQGPTOVWZPRJBR-UHFFFAOYSA-N 1 2 226.276 1.121 20 0 BDADLO CC[N@@H+](CC(=O)N(C)OC)Cc1ccoc1 ZINC000091554119 644629835 /nfs/dbraw/zinc/62/98/35/644629835.db2.gz PQGPTOVWZPRJBR-UHFFFAOYSA-N 1 2 226.276 1.121 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000805323443 644665745 /nfs/dbraw/zinc/66/57/45/644665745.db2.gz OFIMJFBEIDUOSH-GHMZBOCLSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000805323445 644666199 /nfs/dbraw/zinc/66/61/99/644666199.db2.gz OFIMJFBEIDUOSH-MNOVXSKESA-N 1 2 247.342 1.750 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cc[nH]c1 ZINC000784018948 644761714 /nfs/dbraw/zinc/76/17/14/644761714.db2.gz DUIALXRAOREXBT-UHFFFAOYSA-N 1 2 219.244 1.458 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1ncccn1 ZINC000792281863 644796134 /nfs/dbraw/zinc/79/61/34/644796134.db2.gz NYQWCXXOBMUQDX-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1ncccn1 ZINC000792281863 644796137 /nfs/dbraw/zinc/79/61/37/644796137.db2.gz NYQWCXXOBMUQDX-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(C)CCC1 ZINC000793240494 644801360 /nfs/dbraw/zinc/80/13/60/644801360.db2.gz FUGNMIPGLROISV-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2cc(C)n(C)n2)[nH]n1 ZINC000800478405 644836113 /nfs/dbraw/zinc/83/61/13/644836113.db2.gz GLNZSELNRYHRAO-SNVBAGLBSA-N 1 2 247.346 1.865 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc[nH]1 ZINC000807171277 644860824 /nfs/dbraw/zinc/86/08/24/644860824.db2.gz RBVOLMPQFFNACU-VIFPVBQESA-N 1 2 232.287 1.168 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000808141908 644875809 /nfs/dbraw/zinc/87/58/09/644875809.db2.gz WRBDZLCPLMBGLM-LBPRGKRZSA-N 1 2 242.388 1.641 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000808141907 644876266 /nfs/dbraw/zinc/87/62/66/644876266.db2.gz WRBDZLCPLMBGLM-GFCCVEGCSA-N 1 2 242.388 1.641 20 0 BDADLO CCCOC(=O)NCCCCn1cc[nH+]c1 ZINC000304609271 644922171 /nfs/dbraw/zinc/92/21/71/644922171.db2.gz RKWWOULRJMGXRJ-UHFFFAOYSA-N 1 2 225.292 1.800 20 0 BDADLO COCCC1C[NH+](Cc2cnn(C)c2Cl)C1 ZINC000826894246 645069449 /nfs/dbraw/zinc/06/94/49/645069449.db2.gz MFPFAMXNCVPLFU-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO Cn1cc(Cl)cc1C[N@H+](C)CC[S@@](C)=O ZINC000828040583 645091262 /nfs/dbraw/zinc/09/12/62/645091262.db2.gz JKCHLCHWKYIEFY-OAHLLOKOSA-N 1 2 248.779 1.489 20 0 BDADLO Cn1cc(Cl)cc1C[N@@H+](C)CC[S@@](C)=O ZINC000828040583 645091268 /nfs/dbraw/zinc/09/12/68/645091268.db2.gz JKCHLCHWKYIEFY-OAHLLOKOSA-N 1 2 248.779 1.489 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(F)(F)CC)C[C@@H]1C ZINC000831142247 645128358 /nfs/dbraw/zinc/12/83/58/645128358.db2.gz IICAJIIVQGZEFK-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(F)(F)CC)C[C@@H]1C ZINC000831142247 645128363 /nfs/dbraw/zinc/12/83/63/645128363.db2.gz IICAJIIVQGZEFK-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO Cc1ccncc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000926525286 645256010 /nfs/dbraw/zinc/25/60/10/645256010.db2.gz JQOVGPMSFMMJGS-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO C/C=C\COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845446580 645361889 /nfs/dbraw/zinc/36/18/89/645361889.db2.gz CYBTTWKSAYPICV-IHWYPQMZSA-N 1 2 234.299 1.881 20 0 BDADLO FC(F)[C@@H]1C[N@@H+]([C@@H]2CO[C@H](C3CC3)C2)CCO1 ZINC000926820472 645444190 /nfs/dbraw/zinc/44/41/90/645444190.db2.gz BYQJSHGOHYXVFC-DCAQKATOSA-N 1 2 247.285 1.520 20 0 BDADLO FC(F)[C@@H]1C[N@H+]([C@@H]2CO[C@H](C3CC3)C2)CCO1 ZINC000926820472 645444197 /nfs/dbraw/zinc/44/41/97/645444197.db2.gz BYQJSHGOHYXVFC-DCAQKATOSA-N 1 2 247.285 1.520 20 0 BDADLO COc1ccc(F)c(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000857466447 645569950 /nfs/dbraw/zinc/56/99/50/645569950.db2.gz UPENNQPELQWINY-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO COc1cc(NC(=O)Cc2[nH]cc[nH+]2)ccc1F ZINC000857490050 645576812 /nfs/dbraw/zinc/57/68/12/645576812.db2.gz IIMWAPCGMBSCRY-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1nccn1C1CC1 ZINC000857540053 645603884 /nfs/dbraw/zinc/60/38/84/645603884.db2.gz RICHEECTFFHLMO-UHFFFAOYSA-N 1 2 245.286 1.443 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@]12C[C@H]1CCCC2 ZINC000927428591 645610542 /nfs/dbraw/zinc/61/05/42/645610542.db2.gz HCAKWFPKSCIUOW-MFKMUULPSA-N 1 2 233.315 1.649 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000927435118 645611737 /nfs/dbraw/zinc/61/17/37/645611737.db2.gz DDBVUGMZIQSBSU-SMDDNHRTSA-N 1 2 247.342 1.659 20 0 BDADLO Nc1ccc(CNC(=O)/C=C\C2CC2)c[nH+]1 ZINC000927776839 645656051 /nfs/dbraw/zinc/65/60/51/645656051.db2.gz NUBGTLLBEBVIDK-XQRVVYSFSA-N 1 2 217.272 1.246 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCn2cccc2C1 ZINC000928963214 645919429 /nfs/dbraw/zinc/91/94/29/645919429.db2.gz VLCQOCOPYMVMJU-UHFFFAOYSA-N 1 2 244.298 1.117 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929123789 645955809 /nfs/dbraw/zinc/95/58/09/645955809.db2.gz DNQOYOIIDDCCMK-RCNKOFRFSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929123789 645955817 /nfs/dbraw/zinc/95/58/17/645955817.db2.gz DNQOYOIIDDCCMK-RCNKOFRFSA-N 1 2 227.304 1.215 20 0 BDADLO C[C@H](c1nc([C@H]2CCOC[C@H]2C)no1)[NH+](C)C ZINC000924054884 645972935 /nfs/dbraw/zinc/97/29/35/645972935.db2.gz XNDWJOBFEUGBLX-BBBLOLIVSA-N 1 2 239.319 1.832 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(CCF)c2)[C@H](C)CO1 ZINC000929181775 645991442 /nfs/dbraw/zinc/99/14/42/645991442.db2.gz HFNOTNYBHNFQFM-GHMZBOCLSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)[C@H](C)CO1 ZINC000929181775 645991448 /nfs/dbraw/zinc/99/14/48/645991448.db2.gz HFNOTNYBHNFQFM-GHMZBOCLSA-N 1 2 241.310 1.462 20 0 BDADLO COc1nnc(C[N@H+](C)[C@@H](C)C2CC2)s1 ZINC000929203846 646003992 /nfs/dbraw/zinc/00/39/92/646003992.db2.gz PIIHYWKJMAMUAF-ZETCQYMHSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@@H+](C)[C@@H](C)C2CC2)s1 ZINC000929203846 646003995 /nfs/dbraw/zinc/00/39/95/646003995.db2.gz PIIHYWKJMAMUAF-ZETCQYMHSA-N 1 2 227.333 1.777 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1CCOC[C@@H]1C ZINC000929250975 646032775 /nfs/dbraw/zinc/03/27/75/646032775.db2.gz FBFDMHCXNQGTPA-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1onc(C)c1C[N@H+]1CCOC[C@@H]1C ZINC000929250975 646032780 /nfs/dbraw/zinc/03/27/80/646032780.db2.gz FBFDMHCXNQGTPA-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000929256605 646040758 /nfs/dbraw/zinc/04/07/58/646040758.db2.gz DWPQQAGNHRCKSE-TUAOUCFPSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000929256605 646040765 /nfs/dbraw/zinc/04/07/65/646040765.db2.gz DWPQQAGNHRCKSE-TUAOUCFPSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cc1)c1cnn(C)n1 ZINC000924526848 646048267 /nfs/dbraw/zinc/04/82/67/646048267.db2.gz ZATLMOGCFDFGLG-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2cccnc2)n1 ZINC000924531745 646050156 /nfs/dbraw/zinc/05/01/56/646050156.db2.gz NNXNCJZMYHFKQV-JTQLQIEISA-N 1 2 245.330 1.852 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2nonc2C)cn1 ZINC000924614930 646078548 /nfs/dbraw/zinc/07/85/48/646078548.db2.gz LOZGSBQTKJUTKJ-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1cnn(C)n1 ZINC000924901615 646128732 /nfs/dbraw/zinc/12/87/32/646128732.db2.gz ZPQQGQXWUMYYKD-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(CC(F)F)C1CCC1 ZINC000925249332 646221664 /nfs/dbraw/zinc/22/16/64/646221664.db2.gz MSFWVHRRCLRUCW-UHFFFAOYSA-N 1 2 243.257 1.598 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cnnn1C ZINC000925285292 646232092 /nfs/dbraw/zinc/23/20/92/646232092.db2.gz LOXMOLDAMHECJN-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCOC1CC1 ZINC000929678688 646238249 /nfs/dbraw/zinc/23/82/49/646238249.db2.gz FECMTHLYINCMKH-HFBDOXOYSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCOC1CC1 ZINC000929678688 646238253 /nfs/dbraw/zinc/23/82/53/646238253.db2.gz FECMTHLYINCMKH-HFBDOXOYSA-N 1 2 231.361 1.007 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929684842 646243897 /nfs/dbraw/zinc/24/38/97/646243897.db2.gz LBVIEGMKRMSRQU-ZJUUUORDSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929684842 646243904 /nfs/dbraw/zinc/24/39/04/646243904.db2.gz LBVIEGMKRMSRQU-ZJUUUORDSA-N 1 2 241.360 1.664 20 0 BDADLO COC/C(C)=C/C[N@H+](CC(=O)OC)C1CC1 ZINC000929807094 646326938 /nfs/dbraw/zinc/32/69/38/646326938.db2.gz UTQZIVLHRXZPQE-UXBLZVDNSA-N 1 2 227.304 1.217 20 0 BDADLO COC/C(C)=C/C[N@@H+](CC(=O)OC)C1CC1 ZINC000929807094 646326945 /nfs/dbraw/zinc/32/69/45/646326945.db2.gz UTQZIVLHRXZPQE-UXBLZVDNSA-N 1 2 227.304 1.217 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000929836037 646350433 /nfs/dbraw/zinc/35/04/33/646350433.db2.gz PCENSQJGUAELLL-RDQDRAATSA-N 1 2 243.347 1.851 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000929836037 646350439 /nfs/dbraw/zinc/35/04/39/646350439.db2.gz PCENSQJGUAELLL-RDQDRAATSA-N 1 2 243.347 1.851 20 0 BDADLO COC/C(C)=C\C[NH2+]C(C)(C)c1noc(C)n1 ZINC000929968189 646379227 /nfs/dbraw/zinc/37/92/27/646379227.db2.gz LYWMGMFDKUJSOX-TWGQIWQCSA-N 1 2 239.319 1.795 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC2(CCC2)C1 ZINC000930144005 646457589 /nfs/dbraw/zinc/45/75/89/646457589.db2.gz SMMDAEGKABSHRN-HWKANZROSA-N 1 2 239.315 1.361 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC2(CCC2)C1 ZINC000930144005 646457592 /nfs/dbraw/zinc/45/75/92/646457592.db2.gz SMMDAEGKABSHRN-HWKANZROSA-N 1 2 239.315 1.361 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000925821449 646495364 /nfs/dbraw/zinc/49/53/64/646495364.db2.gz NLXYUFFUFSMYEK-BCTVWOGZSA-N 1 2 243.332 1.233 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000925821449 646495370 /nfs/dbraw/zinc/49/53/70/646495370.db2.gz NLXYUFFUFSMYEK-BCTVWOGZSA-N 1 2 243.332 1.233 20 0 BDADLO CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCC2(OC)OC)C1 ZINC000925929033 646544163 /nfs/dbraw/zinc/54/41/63/646544163.db2.gz IHGUGABYOIOLFM-TUAOUCFPSA-N 1 2 242.363 1.068 20 0 BDADLO CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCC2(OC)OC)C1 ZINC000925929033 646544169 /nfs/dbraw/zinc/54/41/69/646544169.db2.gz IHGUGABYOIOLFM-TUAOUCFPSA-N 1 2 242.363 1.068 20 0 BDADLO OCC(F)(F)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000926191668 646590829 /nfs/dbraw/zinc/59/08/29/646590829.db2.gz GJXHIGOWMBPLAX-JTQLQIEISA-N 1 2 249.301 1.695 20 0 BDADLO C[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724708661 711609487 /nfs/dbraw/zinc/60/94/87/711609487.db2.gz QQKVMENYHVZHRO-JGVFFNPUSA-N 1 2 220.263 1.227 20 0 BDADLO CN(Cc1cccs1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724737322 711610781 /nfs/dbraw/zinc/61/07/81/711610781.db2.gz AGXKWBTUIDFUFD-MRVPVSSYSA-N 1 2 248.298 1.689 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[C@H]([NH3+])C(F)F ZINC000724751249 711610821 /nfs/dbraw/zinc/61/08/21/711610821.db2.gz JIENOWDQDISUDW-YIZRAAEISA-N 1 2 234.290 1.758 20 0 BDADLO Cc1cnc(NC(=O)C[C@H]([NH3+])C(F)F)s1 ZINC000724750878 711610541 /nfs/dbraw/zinc/61/05/41/711610541.db2.gz HMACZWRYOYJDFQ-YFKPBYRVSA-N 1 2 235.259 1.373 20 0 BDADLO COC[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892631205 711680032 /nfs/dbraw/zinc/68/00/32/711680032.db2.gz FWWNXMSXXXPVJZ-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)C(N)=O ZINC000309759755 711700696 /nfs/dbraw/zinc/70/06/96/711700696.db2.gz IJZMVUMJYRNKOQ-VIFPVBQESA-N 1 2 221.304 1.347 20 0 BDADLO COC[C@H](C[NH2+][C@H]1CCCc2[nH]ncc21)OC ZINC000353667210 711893135 /nfs/dbraw/zinc/89/31/35/711893135.db2.gz BGHOIDBYDNQYKW-ONGXEEELSA-N 1 2 239.319 1.038 20 0 BDADLO CN(C(=O)c1ccoc1)[C@@H]1CC[N@H+](CCF)C1 ZINC001032909689 711966895 /nfs/dbraw/zinc/96/68/95/711966895.db2.gz NBWOEAGEDDHCGV-LLVKDONJSA-N 1 2 240.278 1.395 20 0 BDADLO CN(C(=O)c1ccoc1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032909689 711966896 /nfs/dbraw/zinc/96/68/96/711966896.db2.gz NBWOEAGEDDHCGV-LLVKDONJSA-N 1 2 240.278 1.395 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000707262431 712167618 /nfs/dbraw/zinc/16/76/18/712167618.db2.gz WAVTXGIAPJZCEZ-XUIVZRPNSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000707262431 712167620 /nfs/dbraw/zinc/16/76/20/712167620.db2.gz WAVTXGIAPJZCEZ-XUIVZRPNSA-N 1 2 241.331 1.605 20 0 BDADLO CCC[C@@H](CNc1cc(NC)nc[nH+]1)OC ZINC000378775594 712360636 /nfs/dbraw/zinc/36/06/36/712360636.db2.gz DLLDOHJIDDAANC-VIFPVBQESA-N 1 2 224.308 1.167 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)OC ZINC000714336089 712482893 /nfs/dbraw/zinc/48/28/93/712482893.db2.gz AWKRTFAJBKLTSE-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1ccns1 ZINC000715974849 712550780 /nfs/dbraw/zinc/55/07/80/712550780.db2.gz GBEKIDDHXAOOOV-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CCC[C@@H](CCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000716942570 712598004 /nfs/dbraw/zinc/59/80/04/712598004.db2.gz AGGVHZAIPJUNBR-MNOVXSKESA-N 1 2 245.363 1.857 20 0 BDADLO CO[C@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000718736017 712778985 /nfs/dbraw/zinc/77/89/85/712778985.db2.gz PNZWMRKPPDGIIV-ONGXEEELSA-N 1 2 224.308 1.242 20 0 BDADLO CO[C@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000718736017 712778987 /nfs/dbraw/zinc/77/89/87/712778987.db2.gz PNZWMRKPPDGIIV-ONGXEEELSA-N 1 2 224.308 1.242 20 0 BDADLO CC(=O)C1CC[NH+](Cc2snnc2C)CC1 ZINC000381636135 710666084 /nfs/dbraw/zinc/66/60/84/710666084.db2.gz OHEBREPXNQDIOV-UHFFFAOYSA-N 1 2 239.344 1.648 20 0 BDADLO O=C(NC[C@@H]1CC[N@H+]1CCF)C1=CCCC1 ZINC001038167843 710676719 /nfs/dbraw/zinc/67/67/19/710676719.db2.gz KJZXZJNRWGQLCX-NSHDSACASA-N 1 2 226.295 1.257 20 0 BDADLO O=C(NC[C@@H]1CC[N@@H+]1CCF)C1=CCCC1 ZINC001038167843 710676721 /nfs/dbraw/zinc/67/67/21/710676721.db2.gz KJZXZJNRWGQLCX-NSHDSACASA-N 1 2 226.295 1.257 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000380387638 712900566 /nfs/dbraw/zinc/90/05/66/712900566.db2.gz ZUKARJVGOOVYJX-XIJCSBCJSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000380387638 712900567 /nfs/dbraw/zinc/90/05/67/712900567.db2.gz ZUKARJVGOOVYJX-XIJCSBCJSA-N 1 2 227.304 1.215 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccoc2)C1 ZINC001042476598 710785891 /nfs/dbraw/zinc/78/58/91/710785891.db2.gz KVEBXCYQHZFNRM-UHFFFAOYSA-N 1 2 208.261 1.056 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)c2cncs2)C1 ZINC001042514369 710789624 /nfs/dbraw/zinc/78/96/24/710789624.db2.gz KISZGJKOEKZSAK-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO O[C@@H]1CC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000382157477 710801099 /nfs/dbraw/zinc/80/10/99/710801099.db2.gz ROTVVWKKWGRKFM-ZYHUDNBSSA-N 1 2 217.272 1.176 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2occ3c2CCC3)C1 ZINC001043471841 710807877 /nfs/dbraw/zinc/80/78/77/710807877.db2.gz MUJLJACWKRCNMD-UHFFFAOYSA-N 1 2 248.326 1.544 20 0 BDADLO CC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C(C)(C)O ZINC000393988564 710836339 /nfs/dbraw/zinc/83/63/39/710836339.db2.gz MDHUBGJSPUSJFA-ZJUUUORDSA-N 1 2 245.363 1.856 20 0 BDADLO c1cc(OCCO[C@@H]2CCOC2)cc[nH+]1 ZINC000902732947 710886255 /nfs/dbraw/zinc/88/62/55/710886255.db2.gz FXZPZQNMJNVNPW-LLVKDONJSA-N 1 2 209.245 1.266 20 0 BDADLO Cc1nc(N[C@@H]2CCN(C(=O)C(C)C)C2)cc[nH+]1 ZINC001056575273 710947178 /nfs/dbraw/zinc/94/71/78/710947178.db2.gz ICWWUBUYOTXZKS-LLVKDONJSA-N 1 2 248.330 1.454 20 0 BDADLO Cn1c[nH+]cc1CNc1cc(C(C)(C)C)ncn1 ZINC000388486663 711060909 /nfs/dbraw/zinc/06/09/09/711060909.db2.gz CRWKKFFVCSZTFD-UHFFFAOYSA-N 1 2 245.330 1.542 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000389333742 711076102 /nfs/dbraw/zinc/07/61/02/711076102.db2.gz SZMXMLBVAKLILZ-LLVKDONJSA-N 1 2 243.314 1.377 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@@H](O)CC ZINC000390510771 711122867 /nfs/dbraw/zinc/12/28/67/711122867.db2.gz ZISZXYYVXAAQAP-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO CO[C@H](C[NH2+]Cc1cn(C)cn1)C(F)(F)F ZINC000390576717 711127112 /nfs/dbraw/zinc/12/71/12/711127112.db2.gz WCQLCTKUOZHXJC-MRVPVSSYSA-N 1 2 237.225 1.087 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)C(OC)OC)s1 ZINC000391875704 711141883 /nfs/dbraw/zinc/14/18/83/711141883.db2.gz OXRUIIGDSUAHFH-SSDOTTSWSA-N 1 2 245.348 1.198 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OC ZINC000395082256 711200492 /nfs/dbraw/zinc/20/04/92/711200492.db2.gz AXTSGLCDGWBLFH-SDDRHHMPSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)C(=O)OC(C)(C)C)C[C@H](C)O ZINC000397799887 711392289 /nfs/dbraw/zinc/39/22/89/711392289.db2.gz DZIZAVVJVHINKE-VWYCJHECSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H]([NH2+]CCC1(O)CCC1)C(=O)OC(C)(C)C ZINC000398112249 711402368 /nfs/dbraw/zinc/40/23/68/711402368.db2.gz BGPBQEHPHAZFNP-JTQLQIEISA-N 1 2 243.347 1.611 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000399946739 711437735 /nfs/dbraw/zinc/43/77/35/711437735.db2.gz UNDTYRNJYURDNH-ONGXEEELSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000399946739 711437736 /nfs/dbraw/zinc/43/77/36/711437736.db2.gz UNDTYRNJYURDNH-ONGXEEELSA-N 1 2 241.360 1.664 20 0 BDADLO Cc1nc(NC2CCC(C)(O)CC2)cc[nH+]1 ZINC000381400798 710632913 /nfs/dbraw/zinc/63/29/13/710632913.db2.gz QYIKUANQWFEPIX-UHFFFAOYSA-N 1 2 221.304 1.891 20 0 BDADLO CCC(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001057264340 710951114 /nfs/dbraw/zinc/95/11/14/710951114.db2.gz FLZWUUHMXSJJKE-UHFFFAOYSA-N 1 2 248.330 1.598 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2cncs2)[nH]1 ZINC000392355728 711145497 /nfs/dbraw/zinc/14/54/97/711145497.db2.gz SODNFRDSRXTBCC-ZETCQYMHSA-N 1 2 237.332 1.674 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cc(C#N)cs2)[nH]1 ZINC000392413801 711146875 /nfs/dbraw/zinc/14/68/75/711146875.db2.gz FWPZLQYFGWKVBS-ZETCQYMHSA-N 1 2 247.327 1.897 20 0 BDADLO C[C@@H](C[NH2+][C@H](C)C(=O)OC(C)(C)C)C[C@H](C)O ZINC000397799886 711391630 /nfs/dbraw/zinc/39/16/30/711391630.db2.gz DZIZAVVJVHINKE-OUAUKWLOSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000932333999 711453526 /nfs/dbraw/zinc/45/35/26/711453526.db2.gz CYBJWOZVRQOXHN-NSHDSACASA-N 1 2 235.331 1.440 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000932333999 711453528 /nfs/dbraw/zinc/45/35/28/711453528.db2.gz CYBJWOZVRQOXHN-NSHDSACASA-N 1 2 235.331 1.440 20 0 BDADLO CNc1cc(N2CC[C@H](SC)C2)nc[nH+]1 ZINC000383201950 711465636 /nfs/dbraw/zinc/46/56/36/711465636.db2.gz NRHRMTBHLXACNM-QMMMGPOBSA-N 1 2 224.333 1.460 20 0 BDADLO CNc1cc(N2CC[C@H](SC)C2)[nH+]cn1 ZINC000383201950 711465637 /nfs/dbraw/zinc/46/56/37/711465637.db2.gz NRHRMTBHLXACNM-QMMMGPOBSA-N 1 2 224.333 1.460 20 0 BDADLO CCc1ccc(C[NH+]2CC(O)(C(C)C)C2)nc1 ZINC000393443726 711477094 /nfs/dbraw/zinc/47/70/94/711477094.db2.gz WXKWCSQXZJRBSP-UHFFFAOYSA-N 1 2 234.343 1.847 20 0 BDADLO CCc1cc(NCc2ccnn2C)nc(CC)[nH+]1 ZINC000891740834 711542759 /nfs/dbraw/zinc/54/27/59/711542759.db2.gz YXYGLSJQRDDFLO-UHFFFAOYSA-N 1 2 245.330 1.947 20 0 BDADLO COC[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892631205 711680031 /nfs/dbraw/zinc/68/00/31/711680031.db2.gz FWWNXMSXXXPVJZ-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO Cc1ccncc1Cc1noc([C@@H](C)[NH+](C)C)n1 ZINC000924120723 711702373 /nfs/dbraw/zinc/70/23/73/711702373.db2.gz WTEJRJJJTYLAFH-SNVBAGLBSA-N 1 2 246.314 1.986 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000723032208 711717258 /nfs/dbraw/zinc/71/72/58/711717258.db2.gz IQXUGBITYYOWBH-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@]1(C)CO ZINC000723032208 711717259 /nfs/dbraw/zinc/71/72/59/711717259.db2.gz IQXUGBITYYOWBH-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO C[C@@H](CCCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000087359969 711835042 /nfs/dbraw/zinc/83/50/42/711835042.db2.gz NLINXLNLHPTFIM-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO COCC[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000068960419 711890369 /nfs/dbraw/zinc/89/03/69/711890369.db2.gz WILAQKUNDFBHDU-CYBMUJFWSA-N 1 2 248.326 1.496 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000068960419 711890370 /nfs/dbraw/zinc/89/03/70/711890370.db2.gz WILAQKUNDFBHDU-CYBMUJFWSA-N 1 2 248.326 1.496 20 0 BDADLO CC1(C)C[N@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721931260 711939334 /nfs/dbraw/zinc/93/93/34/711939334.db2.gz HERGVWULXFTNAT-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721931260 711939338 /nfs/dbraw/zinc/93/93/38/711939338.db2.gz HERGVWULXFTNAT-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001032850182 711962771 /nfs/dbraw/zinc/96/27/71/711962771.db2.gz BBAFFSXOKKDJBY-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001032850182 711962772 /nfs/dbraw/zinc/96/27/72/711962772.db2.gz BBAFFSXOKKDJBY-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000922549865 711973218 /nfs/dbraw/zinc/97/32/18/711973218.db2.gz YUDPNTHIHVRBBL-CQSZACIVSA-N 1 2 245.326 1.493 20 0 BDADLO CC(=O)N[C@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034061627 712038211 /nfs/dbraw/zinc/03/82/11/712038211.db2.gz TXPXESJBAYNJJB-NSHDSACASA-N 1 2 237.303 1.165 20 0 BDADLO CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034061627 712038213 /nfs/dbraw/zinc/03/82/13/712038213.db2.gz TXPXESJBAYNJJB-NSHDSACASA-N 1 2 237.303 1.165 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000704793266 712117597 /nfs/dbraw/zinc/11/75/97/712117597.db2.gz UWCHVCDUFMTXTM-DTWKUNHWSA-N 1 2 235.274 1.773 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000704793266 712117599 /nfs/dbraw/zinc/11/75/99/712117599.db2.gz UWCHVCDUFMTXTM-DTWKUNHWSA-N 1 2 235.274 1.773 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC000704968441 712121727 /nfs/dbraw/zinc/12/17/27/712121727.db2.gz ZSWUHTVBUVBNML-DTWKUNHWSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC000704968441 712121724 /nfs/dbraw/zinc/12/17/24/712121724.db2.gz ZSWUHTVBUVBNML-DTWKUNHWSA-N 1 2 239.237 1.020 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)[C@@H]1C ZINC000706748472 712153903 /nfs/dbraw/zinc/15/39/03/712153903.db2.gz KOFBJXFBDHGJIZ-HTQZYQBOSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)[C@@H]1C ZINC000706748472 712153906 /nfs/dbraw/zinc/15/39/06/712153906.db2.gz KOFBJXFBDHGJIZ-HTQZYQBOSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)[C@H]1C ZINC000706748478 712154117 /nfs/dbraw/zinc/15/41/17/712154117.db2.gz KOFBJXFBDHGJIZ-SFYZADRCSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)[C@H]1C ZINC000706748478 712154118 /nfs/dbraw/zinc/15/41/18/712154118.db2.gz KOFBJXFBDHGJIZ-SFYZADRCSA-N 1 2 211.696 1.970 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1Cl ZINC000707138008 712165527 /nfs/dbraw/zinc/16/55/27/712165527.db2.gz QJFANVIYQQYBIR-VIFPVBQESA-N 1 2 243.738 1.419 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@H](O)C2(C)C)cc1Cl ZINC000707138008 712165528 /nfs/dbraw/zinc/16/55/28/712165528.db2.gz QJFANVIYQQYBIR-VIFPVBQESA-N 1 2 243.738 1.419 20 0 BDADLO CNc1cc(N2CC[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000707191537 712166212 /nfs/dbraw/zinc/16/62/12/712166212.db2.gz WFHVRQXYQIQAEJ-GFCCVEGCSA-N 1 2 234.303 1.135 20 0 BDADLO CNc1cc(N2CC[C@@]3(CCOC3)C2)[nH+]cn1 ZINC000707191537 712166213 /nfs/dbraw/zinc/16/62/13/712166213.db2.gz WFHVRQXYQIQAEJ-GFCCVEGCSA-N 1 2 234.303 1.135 20 0 BDADLO CCC[C@H]1CN(c2cc(NC)[nH+]cn2)CCO1 ZINC000708899042 712203579 /nfs/dbraw/zinc/20/35/79/712203579.db2.gz NGTFNIGLABFFFZ-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCC[C@H]1CN(c2cc(NC)nc[nH+]2)CCO1 ZINC000708899042 712203580 /nfs/dbraw/zinc/20/35/80/712203580.db2.gz NGTFNIGLABFFFZ-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000709715894 712216899 /nfs/dbraw/zinc/21/68/99/712216899.db2.gz QVJDRKPPGPPXBD-UTLUCORTSA-N 1 2 231.361 1.812 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCc1ccns1 ZINC000710028976 712242157 /nfs/dbraw/zinc/24/21/57/712242157.db2.gz ZEXVTDFXYPXHOQ-UHFFFAOYSA-N 1 2 222.317 1.507 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000710053998 712243542 /nfs/dbraw/zinc/24/35/42/712243542.db2.gz KWHQSYQSOYPICX-MWLCHTKSSA-N 1 2 245.330 1.930 20 0 BDADLO O[C@H](C[NH2+]Cc1nccn1C1CC1)C(F)(F)F ZINC000711817057 712332438 /nfs/dbraw/zinc/33/24/38/712332438.db2.gz KMUGYBRMHXGHTG-MRVPVSSYSA-N 1 2 249.236 1.231 20 0 BDADLO CC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001065635753 712355829 /nfs/dbraw/zinc/35/58/29/712355829.db2.gz SBHWSBNJWCDJSR-BXKDBHETSA-N 1 2 248.330 1.454 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC000379118706 712370438 /nfs/dbraw/zinc/37/04/38/712370438.db2.gz MZERUWWXZQCRJD-UHFFFAOYSA-N 1 2 204.273 1.121 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584948 712389216 /nfs/dbraw/zinc/38/92/16/712389216.db2.gz WVGOJBBXBJBVLN-DTWKUNHWSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584948 712389219 /nfs/dbraw/zinc/38/92/19/712389219.db2.gz WVGOJBBXBJBVLN-DTWKUNHWSA-N 1 2 239.319 1.322 20 0 BDADLO CCCn1cc(C[NH2+][C@H](C)c2cccnc2)nn1 ZINC000714495974 712492516 /nfs/dbraw/zinc/49/25/16/712492516.db2.gz YYQLXXBGQKMTAQ-LLVKDONJSA-N 1 2 245.330 1.934 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)nn1 ZINC000715837561 712535136 /nfs/dbraw/zinc/53/51/36/712535136.db2.gz RHZAIFQMFCWHGX-NXEZZACHSA-N 1 2 248.334 1.823 20 0 BDADLO CCCn1cc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)nn1 ZINC000715837566 712535179 /nfs/dbraw/zinc/53/51/79/712535179.db2.gz RHZAIFQMFCWHGX-ZJUUUORDSA-N 1 2 248.334 1.823 20 0 BDADLO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000715837562 712535571 /nfs/dbraw/zinc/53/55/71/712535571.db2.gz RHZAIFQMFCWHGX-UWVGGRQHSA-N 1 2 248.334 1.823 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cn(C)nn1 ZINC000715849361 712535883 /nfs/dbraw/zinc/53/58/83/712535883.db2.gz FBZMOMFYHCLNDG-GXFFZTMASA-N 1 2 246.314 1.199 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1cn(C)nn1 ZINC000715856124 712537545 /nfs/dbraw/zinc/53/75/45/712537545.db2.gz QOTXTISGRPEQDT-NXEZZACHSA-N 1 2 231.303 1.622 20 0 BDADLO CCCn1cc([C@H](C)[NH2+]Cc2cncn2C)nn1 ZINC000715885291 712539777 /nfs/dbraw/zinc/53/97/77/712539777.db2.gz RFEJTEZARRWOKK-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CCCn1cc([C@H](C)NCc2c[nH+]cn2C)nn1 ZINC000715885291 712539778 /nfs/dbraw/zinc/53/97/78/712539778.db2.gz RFEJTEZARRWOKK-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccns1)c1cn(C)nn1 ZINC000715932082 712543557 /nfs/dbraw/zinc/54/35/57/712543557.db2.gz BZCMZDGHQQSOGH-YUMQZZPRSA-N 1 2 237.332 1.683 20 0 BDADLO Cc1noc(C[NH+]2CCC(C(C)(C)O)CC2)n1 ZINC000716416973 712559633 /nfs/dbraw/zinc/55/96/33/712559633.db2.gz XGINLRRMHGPXAA-UHFFFAOYSA-N 1 2 239.319 1.361 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1cc(NC)nc[nH+]1 ZINC000716864208 712579139 /nfs/dbraw/zinc/57/91/39/712579139.db2.gz GRBZLNDFJWFOQR-BDAKNGLRSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1[nH+]cnc2c1cnn2C ZINC000716914555 712581934 /nfs/dbraw/zinc/58/19/34/712581934.db2.gz HMBAUEPRARQBES-IUCAKERBSA-N 1 2 249.318 1.325 20 0 BDADLO O=C(NOC1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000812788568 712586585 /nfs/dbraw/zinc/58/65/85/712586585.db2.gz PCUHXFROJPFTKE-VIFPVBQESA-N 1 2 235.287 1.046 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000379944882 712634735 /nfs/dbraw/zinc/63/47/35/712634735.db2.gz DAQBODHVGHUSJL-VHSXEESVSA-N 1 2 213.277 1.220 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000379944881 712634766 /nfs/dbraw/zinc/63/47/66/712634766.db2.gz DAQBODHVGHUSJL-UWVGGRQHSA-N 1 2 213.277 1.220 20 0 BDADLO OC[C@@H]([NH2+]CC(F)(F)C(F)F)C1CCC1 ZINC000717623932 712661705 /nfs/dbraw/zinc/66/17/05/712661705.db2.gz ADSXLGLBINJXOL-SSDOTTSWSA-N 1 2 229.217 1.637 20 0 BDADLO CCCNc1cc(N2C[C@H](O)C[C@H]2C)nc[nH+]1 ZINC000384866542 712703758 /nfs/dbraw/zinc/70/37/58/712703758.db2.gz PKEDLTQHPCMLLO-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CCCNc1cc(N2C[C@H](O)C[C@H]2C)[nH+]cn1 ZINC000384866542 712703760 /nfs/dbraw/zinc/70/37/60/712703760.db2.gz PKEDLTQHPCMLLO-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC ZINC000385012027 712707703 /nfs/dbraw/zinc/70/77/03/712707703.db2.gz WTZUHAQUKJXNOJ-MJDLHHQISA-N 1 2 243.347 1.730 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[C@H]1CCCO1 ZINC000720596823 712856622 /nfs/dbraw/zinc/85/66/22/712856622.db2.gz NUGNWJACPBMYQM-LDYMZIIASA-N 1 2 237.303 1.149 20 0 BDADLO C[C@H]1Cc2cc(C[NH+]3CC(C)(O)C3)ccc2O1 ZINC000720725493 712862846 /nfs/dbraw/zinc/86/28/46/712862846.db2.gz DYEQIEVKYWIDBZ-JTQLQIEISA-N 1 2 233.311 1.577 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720789649 712865971 /nfs/dbraw/zinc/86/59/71/712865971.db2.gz TVWWAMSMIACDKD-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720789649 712865973 /nfs/dbraw/zinc/86/59/73/712865973.db2.gz TVWWAMSMIACDKD-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO CNc1cc(N2CCSC[C@H](C)C2)nc[nH+]1 ZINC000380334301 712887166 /nfs/dbraw/zinc/88/71/66/712887166.db2.gz DRXIZNGFPYXVQJ-SECBINFHSA-N 1 2 238.360 1.708 20 0 BDADLO CNc1cc(N2CCSC[C@H](C)C2)[nH+]cn1 ZINC000380334301 712887168 /nfs/dbraw/zinc/88/71/68/712887168.db2.gz DRXIZNGFPYXVQJ-SECBINFHSA-N 1 2 238.360 1.708 20 0 BDADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001037979190 712894720 /nfs/dbraw/zinc/89/47/20/712894720.db2.gz ABOWPWBUPSOWFK-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001037979190 712894721 /nfs/dbraw/zinc/89/47/21/712894721.db2.gz ABOWPWBUPSOWFK-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cc(C)c(CNS(=O)(=O)CCl)c[nH+]1 ZINC000397080562 957465840 /nfs/dbraw/zinc/46/58/40/957465840.db2.gz GACOPOOPVPEHQF-UHFFFAOYSA-N 1 2 248.735 1.314 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2ccncn2)C1 ZINC001140346126 958254351 /nfs/dbraw/zinc/25/43/51/958254351.db2.gz PCDRXNIIZHTDTQ-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2ccncn2)C1 ZINC001140346126 958254356 /nfs/dbraw/zinc/25/43/56/958254356.db2.gz PCDRXNIIZHTDTQ-LLVKDONJSA-N 1 2 209.268 1.801 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)c(C)n1 ZINC000724767278 959424044 /nfs/dbraw/zinc/42/40/44/959424044.db2.gz RMAZUGQTVJUITO-QMMMGPOBSA-N 1 2 243.257 1.619 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000724782844 959489120 /nfs/dbraw/zinc/48/91/20/959489120.db2.gz PBNYHYJFQGCNOG-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1ncc(C[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000724782844 959489126 /nfs/dbraw/zinc/48/91/26/959489126.db2.gz PBNYHYJFQGCNOG-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@H](C)C2)c[nH]1 ZINC000724782844 959489133 /nfs/dbraw/zinc/48/91/33/959489133.db2.gz PBNYHYJFQGCNOG-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@H](C)C2)c[nH]1 ZINC000724782844 959489140 /nfs/dbraw/zinc/48/91/40/959489140.db2.gz PBNYHYJFQGCNOG-SECBINFHSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000695140613 960115117 /nfs/dbraw/zinc/11/51/17/960115117.db2.gz ASFAQHBXPFORJY-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000695140613 960115125 /nfs/dbraw/zinc/11/51/25/960115125.db2.gz ASFAQHBXPFORJY-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO CC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105126063 960459951 /nfs/dbraw/zinc/45/99/51/960459951.db2.gz JIYXESZCGGKRFG-LLVKDONJSA-N 1 2 236.319 1.358 20 0 BDADLO Cc1cc(C[NH+]2CCC(F)(F)CC2)[nH]n1 ZINC001203067622 960584494 /nfs/dbraw/zinc/58/44/94/960584494.db2.gz QULYPZDXUAIWPS-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140887893 960671063 /nfs/dbraw/zinc/67/10/63/960671063.db2.gz HTOLNTYHEUIOQF-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001141051598 960842124 /nfs/dbraw/zinc/84/21/24/960842124.db2.gz HVEHBUWVRCRGJO-UWVGGRQHSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001141051598 960842140 /nfs/dbraw/zinc/84/21/40/960842140.db2.gz HVEHBUWVRCRGJO-UWVGGRQHSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1cc(C)nc(OC2C[NH+](C(C)C)C2)n1 ZINC001225642360 962486386 /nfs/dbraw/zinc/48/63/86/962486386.db2.gz OMIMDYZLXGTKCU-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206654872 963041483 /nfs/dbraw/zinc/04/14/83/963041483.db2.gz DVWONKYVVZOKIL-SNVBAGLBSA-N 1 2 244.289 1.195 20 0 BDADLO C[NH2+][C@@H]1CCN1C(F)(F)c1nccc(Cl)n1 ZINC001156638911 963420592 /nfs/dbraw/zinc/42/05/92/963420592.db2.gz NPUAEGVUZACTBH-ZETCQYMHSA-N 1 2 248.664 1.431 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1cnccn1 ZINC001157461754 963604858 /nfs/dbraw/zinc/60/48/58/963604858.db2.gz RMVWCQFNEPIOBR-UHFFFAOYSA-N 1 2 217.276 1.200 20 0 BDADLO CSc1cc[nH+]c(N[C@H]2C[C@@H](CO)C2)c1 ZINC001157464207 963620624 /nfs/dbraw/zinc/62/06/24/963620624.db2.gz VWBDPBACMIXOII-DTORHVGOSA-N 1 2 224.329 1.986 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+]C1CCC(C)CC1 ZINC001168196675 963964680 /nfs/dbraw/zinc/96/46/80/963964680.db2.gz KJVYPWXFGWVKAZ-ILDUYXDCSA-N 1 2 229.320 1.079 20 0 BDADLO CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001089189915 965507420 /nfs/dbraw/zinc/50/74/20/965507420.db2.gz GHCFYKOJCMTJIQ-BDAKNGLRSA-N 1 2 236.319 1.500 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585248 965527191 /nfs/dbraw/zinc/52/71/91/965527191.db2.gz BSNBKQZSBQVXRD-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585248 965527215 /nfs/dbraw/zinc/52/72/15/965527215.db2.gz BSNBKQZSBQVXRD-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO CCCOCCNc1[nH+]cccc1OC ZINC000715040464 965607516 /nfs/dbraw/zinc/60/75/16/965607516.db2.gz UAMKAJXLCZCWQX-UHFFFAOYSA-N 1 2 210.277 1.929 20 0 BDADLO CCc1cn(CC2(CC(=O)OC)CC2)c[nH+]1 ZINC001166821637 966422522 /nfs/dbraw/zinc/42/25/22/966422522.db2.gz BDNFFGDSUSAMME-UHFFFAOYSA-N 1 2 222.288 1.789 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2nnc[nH]2)CC1 ZINC001237602875 966675996 /nfs/dbraw/zinc/67/59/96/966675996.db2.gz ZYPSTPVOCDHJBE-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001237602875 966676003 /nfs/dbraw/zinc/67/60/03/966676003.db2.gz ZYPSTPVOCDHJBE-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001203977981 966836147 /nfs/dbraw/zinc/83/61/47/966836147.db2.gz SCKGUVZDZBAZTL-ZJUUUORDSA-N 1 2 207.277 1.021 20 0 BDADLO C[C@@H](Nc1cc(N)nc[nH+]1)c1ccno1 ZINC001163212200 968007511 /nfs/dbraw/zinc/00/75/11/968007511.db2.gz DEJXICOTOHNNIN-ZCFIWIBFSA-N 1 2 205.221 1.220 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(F)F)[C@H]1OC ZINC000697553749 968015395 /nfs/dbraw/zinc/01/53/95/968015395.db2.gz JXZCWAZGWJSHJG-IWSPIJDZSA-N 1 2 223.263 1.424 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252021859 968443718 /nfs/dbraw/zinc/44/37/18/968443718.db2.gz QTRSHCHRSXBFAG-BDAKNGLRSA-N 1 2 241.253 1.063 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252021859 968443727 /nfs/dbraw/zinc/44/37/27/968443727.db2.gz QTRSHCHRSXBFAG-BDAKNGLRSA-N 1 2 241.253 1.063 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@H](O)CCCC)C(=O)OC ZINC001252113527 968598499 /nfs/dbraw/zinc/59/84/99/968598499.db2.gz FKTDYOMTIYVPDD-NWDGAFQWSA-N 1 2 245.363 1.859 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001207141519 968652215 /nfs/dbraw/zinc/65/22/15/968652215.db2.gz MEQICMXUFLVTJE-GHMZBOCLSA-N 1 2 221.304 1.266 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@@H](C(C)=O)C1 ZINC001207146998 968657947 /nfs/dbraw/zinc/65/79/47/968657947.db2.gz UYSDPSCWNORXEZ-LLVKDONJSA-N 1 2 221.304 1.314 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001207146998 968657954 /nfs/dbraw/zinc/65/79/54/968657954.db2.gz UYSDPSCWNORXEZ-LLVKDONJSA-N 1 2 221.304 1.314 20 0 BDADLO O[C@@H]1C[N@H+](CCc2cccc(Cl)c2)C[C@@H]1F ZINC001207420599 968759220 /nfs/dbraw/zinc/75/92/20/968759220.db2.gz JFCXPZXTNDSCLP-NWDGAFQWSA-N 1 2 243.709 1.897 20 0 BDADLO O[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)C[C@@H]1F ZINC001207420599 968759228 /nfs/dbraw/zinc/75/92/28/968759228.db2.gz JFCXPZXTNDSCLP-NWDGAFQWSA-N 1 2 243.709 1.897 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cncnc1 ZINC000179425273 968874307 /nfs/dbraw/zinc/87/43/07/968874307.db2.gz KXBXPDBLZJTHFS-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cncnc1 ZINC000179425273 968874309 /nfs/dbraw/zinc/87/43/09/968874309.db2.gz KXBXPDBLZJTHFS-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO CCC[C@H](O)C[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001252778412 968951429 /nfs/dbraw/zinc/95/14/29/968951429.db2.gz KMTDVYBZDCQTDZ-VHSXEESVSA-N 1 2 237.290 1.239 20 0 BDADLO C[N@H+](CCc1c(F)cccc1F)C1COC1 ZINC001208117888 969005834 /nfs/dbraw/zinc/00/58/34/969005834.db2.gz GORSJKFTFQUXIV-UHFFFAOYSA-N 1 2 227.254 1.838 20 0 BDADLO C[N@@H+](CCc1c(F)cccc1F)C1COC1 ZINC001208117888 969005848 /nfs/dbraw/zinc/00/58/48/969005848.db2.gz GORSJKFTFQUXIV-UHFFFAOYSA-N 1 2 227.254 1.838 20 0 BDADLO CC(C)(C)OC[C@@H](O)CNc1cccc[nH+]1 ZINC001253437886 969173929 /nfs/dbraw/zinc/17/39/29/969173929.db2.gz IASCEAGYBHJSHV-JTQLQIEISA-N 1 2 224.304 1.670 20 0 BDADLO CCCCC[C@@H](O)C[NH2+][C@H](CC)C(=O)OC ZINC001253546881 969217553 /nfs/dbraw/zinc/21/75/53/969217553.db2.gz BOTPEPGUXQAYHV-GHMZBOCLSA-N 1 2 231.336 1.469 20 0 BDADLO CC[N@@H+](CC1=NOCC1)C[C@H](O)C(F)(F)F ZINC001169538965 969736825 /nfs/dbraw/zinc/73/68/25/969736825.db2.gz MDVPEBWLTSLLHT-QMMMGPOBSA-N 1 2 240.225 1.008 20 0 BDADLO CC[N@H+](CC1=NOCC1)C[C@H](O)C(F)(F)F ZINC001169538965 969736837 /nfs/dbraw/zinc/73/68/37/969736837.db2.gz MDVPEBWLTSLLHT-QMMMGPOBSA-N 1 2 240.225 1.008 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CCOCC(F)(F)C2)CCO1 ZINC001255535955 970301324 /nfs/dbraw/zinc/30/13/24/970301324.db2.gz OEXPBEUXXHJCNH-JTQLQIEISA-N 1 2 249.301 1.912 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CCOCC(F)(F)C2)CCO1 ZINC001255535955 970301337 /nfs/dbraw/zinc/30/13/37/970301337.db2.gz OEXPBEUXXHJCNH-JTQLQIEISA-N 1 2 249.301 1.912 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)[C@@H](C)O ZINC001170104303 970301720 /nfs/dbraw/zinc/30/17/20/970301720.db2.gz LMELXJNDLCMSPR-DBIOUOCHSA-N 1 2 229.320 1.077 20 0 BDADLO CC(=O)N(C)C1C[NH+]([C@H](C)CC(F)(F)F)C1 ZINC001255659386 970435952 /nfs/dbraw/zinc/43/59/52/970435952.db2.gz YACMJZDFDVRJEM-SSDOTTSWSA-N 1 2 238.253 1.490 20 0 BDADLO CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001170227845 970633364 /nfs/dbraw/zinc/63/33/64/970633364.db2.gz QCPWSXIFRYKRIJ-MXWKQRLJSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@@H]1C[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001170227845 970633370 /nfs/dbraw/zinc/63/33/70/970633370.db2.gz QCPWSXIFRYKRIJ-MXWKQRLJSA-N 1 2 249.301 1.646 20 0 BDADLO CCOc1ccc(C[N@H+](CC)C2COC2)cn1 ZINC001231655646 977667762 /nfs/dbraw/zinc/66/77/62/977667762.db2.gz FTBNHXYPHWETQC-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccc(C[N@@H+](CC)C2COC2)cn1 ZINC001231655646 977667777 /nfs/dbraw/zinc/66/77/77/977667777.db2.gz FTBNHXYPHWETQC-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001232246428 977977014 /nfs/dbraw/zinc/97/70/14/977977014.db2.gz IOCJWXXDVYMHSE-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001232246428 977977023 /nfs/dbraw/zinc/97/70/23/977977023.db2.gz IOCJWXXDVYMHSE-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H]3OCC[C@H]32)[nH]1 ZINC001232459823 978082213 /nfs/dbraw/zinc/08/22/13/978082213.db2.gz IHZGJQNECYVOFB-GHMZBOCLSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H]3OCC[C@H]32)[nH]1 ZINC001232459823 978082218 /nfs/dbraw/zinc/08/22/18/978082218.db2.gz IHZGJQNECYVOFB-GHMZBOCLSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c[nH]1 ZINC001232459823 978082228 /nfs/dbraw/zinc/08/22/28/978082228.db2.gz IHZGJQNECYVOFB-GHMZBOCLSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3OCC[C@H]32)c[nH]1 ZINC001232459823 978082235 /nfs/dbraw/zinc/08/22/35/978082235.db2.gz IHZGJQNECYVOFB-GHMZBOCLSA-N 1 2 207.277 1.081 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CC(F)(F)C1 ZINC001177994609 978493154 /nfs/dbraw/zinc/49/31/54/978493154.db2.gz YJILIRPPQOGTRC-UHFFFAOYSA-N 1 2 243.257 1.598 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)sn1 ZINC001233310197 978536122 /nfs/dbraw/zinc/53/61/22/978536122.db2.gz VNYYHCGXZXZEIX-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)sn1 ZINC001233310197 978536127 /nfs/dbraw/zinc/53/61/27/978536127.db2.gz VNYYHCGXZXZEIX-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO C[N@@H+](Cc1c(F)ccc(O)c1F)CC1COC1 ZINC001233396227 978598046 /nfs/dbraw/zinc/59/80/46/978598046.db2.gz QMLSTLYVBPPLPU-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO C[N@H+](Cc1c(F)ccc(O)c1F)CC1COC1 ZINC001233396227 978598050 /nfs/dbraw/zinc/59/80/50/978598050.db2.gz QMLSTLYVBPPLPU-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cscn2)[nH+]1 ZINC001178669090 978606505 /nfs/dbraw/zinc/60/65/05/978606505.db2.gz CRWKYYUJOQMDFD-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO Cc1cc(C[S@@](=O)Cc2c[nH+]cn2C)on1 ZINC001340276176 979002454 /nfs/dbraw/zinc/00/24/54/979002454.db2.gz KJRRESCWALXEBX-INIZCTEOSA-N 1 2 239.300 1.165 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235415762 979040011 /nfs/dbraw/zinc/04/00/11/979040011.db2.gz BYRWARIXQXPIAI-BDAKNGLRSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235415762 979040014 /nfs/dbraw/zinc/04/00/14/979040014.db2.gz BYRWARIXQXPIAI-BDAKNGLRSA-N 1 2 241.722 1.333 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1c(C)ncn1C ZINC001235550727 979090611 /nfs/dbraw/zinc/09/06/11/979090611.db2.gz VVIJGNWKZGHVAT-LBPRGKRZSA-N 1 2 235.331 1.672 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(C)ncn1C ZINC001235550727 979090617 /nfs/dbraw/zinc/09/06/17/979090617.db2.gz VVIJGNWKZGHVAT-LBPRGKRZSA-N 1 2 235.331 1.672 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@]1(F)Cl ZINC001181673122 979246133 /nfs/dbraw/zinc/24/61/33/979246133.db2.gz LSFHJDXGUVVPCW-OIBJUYFYSA-N 1 2 245.685 1.003 20 0 BDADLO C[C@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C)[NH+](C)C ZINC001604642247 979690638 /nfs/dbraw/zinc/69/06/38/979690638.db2.gz AVFBAMBFQUCIDC-WISYIIOYSA-N 1 2 242.363 1.416 20 0 BDADLO CCOc1ncc(C[NH+]2CC=CC2)cc1F ZINC001236691150 979691145 /nfs/dbraw/zinc/69/11/45/979691145.db2.gz RFQZJFNVHZQXPM-UHFFFAOYSA-N 1 2 222.263 1.991 20 0 BDADLO CCN(CC[NH+](C)C)CC1OC=CC1=S ZINC001237179083 979827913 /nfs/dbraw/zinc/82/79/13/979827913.db2.gz CZQBMALPDZJJPX-UHFFFAOYSA-N 1 2 228.361 1.952 20 0 BDADLO CC[N@H+](CCN(C)C)CC1OC=CC1=S ZINC001237179083 979827917 /nfs/dbraw/zinc/82/79/17/979827917.db2.gz CZQBMALPDZJJPX-UHFFFAOYSA-N 1 2 228.361 1.952 20 0 BDADLO CC[N@@H+](CCN(C)C)CC1OC=CC1=S ZINC001237179083 979827919 /nfs/dbraw/zinc/82/79/19/979827919.db2.gz CZQBMALPDZJJPX-UHFFFAOYSA-N 1 2 228.361 1.952 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cccc(C)c1OC ZINC001237499670 979921881 /nfs/dbraw/zinc/92/18/81/979921881.db2.gz DPTGDCVRUVPKQJ-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cccc(C)c1OC ZINC001237499670 979921899 /nfs/dbraw/zinc/92/18/99/979921899.db2.gz DPTGDCVRUVPKQJ-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO CCOc1ccc(C[NH+]2CC(CO)C2)c(F)c1 ZINC001237635645 979979975 /nfs/dbraw/zinc/97/99/75/979979975.db2.gz UVLZTRMUGOBDPZ-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO COc1ccc(C)c(C[NH+]2CC(OC)C2)c1 ZINC001237713618 980034747 /nfs/dbraw/zinc/03/47/47/980034747.db2.gz LZPQDONXLMGKKC-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COc1ccoc1C[NH+]1CC2(COC2)C1 ZINC001237863029 980100386 /nfs/dbraw/zinc/10/03/86/980100386.db2.gz IKMCIBCEZMWPIP-UHFFFAOYSA-N 1 2 209.245 1.120 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cnc(F)cc1Cl ZINC001238018045 980124466 /nfs/dbraw/zinc/12/44/66/980124466.db2.gz OUPLUNQFNVHLKO-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cnc(F)cc1Cl ZINC001238018045 980124470 /nfs/dbraw/zinc/12/44/70/980124470.db2.gz OUPLUNQFNVHLKO-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCC(F)F ZINC001346747147 980898279 /nfs/dbraw/zinc/89/82/79/980898279.db2.gz JJKTZMZALIRJIU-UHFFFAOYSA-N 1 2 232.230 1.992 20 0 BDADLO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001347104042 980973607 /nfs/dbraw/zinc/97/36/07/980973607.db2.gz JQBFGUWLQUYZTL-RKDXNWHRSA-N 1 2 226.349 1.521 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(F)(F)F ZINC001347696230 981146473 /nfs/dbraw/zinc/14/64/73/981146473.db2.gz WOEMYNLVYPPKRT-SSDOTTSWSA-N 1 2 249.236 1.420 20 0 BDADLO CC[C@H](F)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC001348329018 981336561 /nfs/dbraw/zinc/33/65/61/981336561.db2.gz WMRDBGRBYZSFNP-IUCAKERBSA-N 1 2 221.247 1.322 20 0 BDADLO CC[C@H](F)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC001348329018 981336566 /nfs/dbraw/zinc/33/65/66/981336566.db2.gz WMRDBGRBYZSFNP-IUCAKERBSA-N 1 2 221.247 1.322 20 0 BDADLO C[C@@H](Cc1nnc(C[NH+](C)C)o1)[C@@H]1CCCO1 ZINC001348435806 981361613 /nfs/dbraw/zinc/36/16/13/981361613.db2.gz IHSMLEYAXQQMKA-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO C[C@H](NC(=O)CCc1[nH+]ccn1C)C(F)(F)F ZINC001348846784 981456123 /nfs/dbraw/zinc/45/61/23/981456123.db2.gz WOEMYNLVYPPKRT-ZETCQYMHSA-N 1 2 249.236 1.420 20 0 BDADLO CCN(C(=O)OCC(C)C)C1C[NH+](C)C1 ZINC001193831955 981464861 /nfs/dbraw/zinc/46/48/61/981464861.db2.gz RBRFVXTVNFATGT-UHFFFAOYSA-N 1 2 214.309 1.415 20 0 BDADLO COc1ncc(/C(C)=C/C=C/[NH3+])c(OC)n1 ZINC001240904886 981955306 /nfs/dbraw/zinc/95/53/06/981955306.db2.gz QFIQDKUDFUGWQG-HLQBBKRNSA-N 1 2 221.260 1.370 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)C1CC1 ZINC001352853147 982603857 /nfs/dbraw/zinc/60/38/57/982603857.db2.gz BNCZEFXCJDNAHF-SECBINFHSA-N 1 2 221.304 1.125 20 0 BDADLO O[C@@]1(C2CC2)CCN(c2cc[nH+]cc2F)C1 ZINC001353017809 982667154 /nfs/dbraw/zinc/66/71/54/982667154.db2.gz QDRHDSPXZQCDIN-LBPRGKRZSA-N 1 2 222.263 1.572 20 0 BDADLO C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC001592611232 983183931 /nfs/dbraw/zinc/18/39/31/983183931.db2.gz MIXRJIDKZXGBKB-SECBINFHSA-N 1 2 222.288 1.164 20 0 BDADLO C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC001592611232 983183936 /nfs/dbraw/zinc/18/39/36/983183936.db2.gz MIXRJIDKZXGBKB-SECBINFHSA-N 1 2 222.288 1.164 20 0 BDADLO CC(C)C[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201463907 983235679 /nfs/dbraw/zinc/23/56/79/983235679.db2.gz OONPYPBPTZIKSU-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)C[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201463907 983235691 /nfs/dbraw/zinc/23/56/91/983235691.db2.gz OONPYPBPTZIKSU-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)C[NH+]1CC(O)(C(F)(F)F)C1 ZINC001201499276 983265685 /nfs/dbraw/zinc/26/56/85/983265685.db2.gz IPLGBQXOEQJIAU-SSDOTTSWSA-N 1 2 211.227 1.642 20 0 BDADLO C[NH+]1CC(Oc2cnc3[nH]ccc3c2)C1 ZINC001226091079 974784430 /nfs/dbraw/zinc/78/44/30/974784430.db2.gz DUPQQZKITCRNOO-UHFFFAOYSA-N 1 2 203.245 1.207 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@@H](C)CCOCC(C)C ZINC001172453075 974817379 /nfs/dbraw/zinc/81/73/79/974817379.db2.gz BHYAVLZTNWGYGC-NSHDSACASA-N 1 2 245.363 1.979 20 0 BDADLO CCOC(=O)[C@@H](CC)OCc1c[nH+]cn1C ZINC001222600157 972600941 /nfs/dbraw/zinc/60/09/41/972600941.db2.gz LRLWYJUVJGQPJH-SNVBAGLBSA-N 1 2 226.276 1.278 20 0 BDADLO COc1ncc(C[NH+]2CCSCC2)cc1F ZINC001144455288 972829817 /nfs/dbraw/zinc/82/98/17/972829817.db2.gz QYSPNWBOWKFMJJ-UHFFFAOYSA-N 1 2 242.319 1.778 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144544969 972858888 /nfs/dbraw/zinc/85/88/88/972858888.db2.gz NGCMMLJISQTJBD-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144544969 972858894 /nfs/dbraw/zinc/85/88/94/972858894.db2.gz NGCMMLJISQTJBD-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO CC[NH+]1CC(OCc2nc(C)cc(C)n2)C1 ZINC001223345734 972989531 /nfs/dbraw/zinc/98/95/31/972989531.db2.gz JMMZRGOSYCEHLL-UHFFFAOYSA-N 1 2 221.304 1.314 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001256421497 970826942 /nfs/dbraw/zinc/82/69/42/970826942.db2.gz KOFKYTXTYAUCDX-NWDGAFQWSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001256421497 970826944 /nfs/dbraw/zinc/82/69/44/970826944.db2.gz KOFKYTXTYAUCDX-NWDGAFQWSA-N 1 2 247.342 1.175 20 0 BDADLO CC(C)Cc1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001256431876 970838302 /nfs/dbraw/zinc/83/83/02/970838302.db2.gz FHQBDOXHQIOQHQ-UHFFFAOYSA-N 1 2 206.249 1.582 20 0 BDADLO Cc1c[nH+]c(N2CCN(CCF)CC2)c(N)c1 ZINC000402720576 970837621 /nfs/dbraw/zinc/83/76/21/970837621.db2.gz KNNIBAWWFOLLTG-UHFFFAOYSA-N 1 2 238.310 1.064 20 0 BDADLO CC(C)[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001129537686 970854775 /nfs/dbraw/zinc/85/47/75/970854775.db2.gz AZCMTTSRZXYDHQ-JTQLQIEISA-N 1 2 223.320 1.371 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001256657801 970904159 /nfs/dbraw/zinc/90/41/59/970904159.db2.gz MVIMXBHTWFUSAV-VXNVDRBHSA-N 1 2 218.260 1.517 20 0 BDADLO C[C@H](c1nnc([C@@H]2C[C@H]2C)o1)n1cc[nH+]c1 ZINC001256660349 970906450 /nfs/dbraw/zinc/90/64/50/970906450.db2.gz VKKYVTKFWRBTDU-IWSPIJDZSA-N 1 2 218.260 1.999 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc([C@@H]2C[N@H+](C)CCN2C)o1 ZINC001256699025 970924690 /nfs/dbraw/zinc/92/46/90/970924690.db2.gz IMEOHIDALUIPEH-UTLUCORTSA-N 1 2 236.319 1.111 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc([C@@H]2C[N@@H+](C)CCN2C)o1 ZINC001256699025 970924701 /nfs/dbraw/zinc/92/47/01/970924701.db2.gz IMEOHIDALUIPEH-UTLUCORTSA-N 1 2 236.319 1.111 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@H](C)Cc1ccncc1 ZINC001256718048 970937297 /nfs/dbraw/zinc/93/72/97/970937297.db2.gz AMMUDNSQPWCILM-SNVBAGLBSA-N 1 2 236.315 1.554 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(OC)c(O)c1 ZINC001216206178 970987097 /nfs/dbraw/zinc/98/70/97/970987097.db2.gz MNEBZHQRVFAKDU-UHFFFAOYSA-N 1 2 247.254 1.943 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC001257071152 971084347 /nfs/dbraw/zinc/08/43/47/971084347.db2.gz VXNYHDPPXZICRV-JGPRNRPPSA-N 1 2 241.331 1.628 20 0 BDADLO Cc1c[nH+]c(NC2=CCCOC2)c(N)c1 ZINC001216505546 971104960 /nfs/dbraw/zinc/10/49/60/971104960.db2.gz YCPRUDLTXWDUCV-UHFFFAOYSA-N 1 2 205.261 1.688 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCc3cccnc32)nn1 ZINC000404473463 971168666 /nfs/dbraw/zinc/16/86/66/971168666.db2.gz NSQZSOYIBKTRBN-LBPRGKRZSA-N 1 2 243.314 1.470 20 0 BDADLO CCC[C@@H](CC)[N@@H+]1CCN(C)C[C@@H]1C(=O)OC ZINC001257268288 971172345 /nfs/dbraw/zinc/17/23/45/971172345.db2.gz FUMCGYRFKRKMOF-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@@H](CC)[N@H+]1CCN(C)C[C@@H]1C(=O)OC ZINC001257268288 971172349 /nfs/dbraw/zinc/17/23/49/971172349.db2.gz FUMCGYRFKRKMOF-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO COc1ccc[nH+]c1NCCN1CCCCC1=O ZINC000405333993 971236797 /nfs/dbraw/zinc/23/67/97/971236797.db2.gz FXGCGKJZFPFRPA-UHFFFAOYSA-N 1 2 249.314 1.515 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCCC1 ZINC001257350822 971263440 /nfs/dbraw/zinc/26/34/40/971263440.db2.gz UWGXLMJXKIAOCB-WPRPVWTQSA-N 1 2 215.268 1.514 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCCC1 ZINC001257350822 971263452 /nfs/dbraw/zinc/26/34/52/971263452.db2.gz UWGXLMJXKIAOCB-WPRPVWTQSA-N 1 2 215.268 1.514 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000405662550 971290532 /nfs/dbraw/zinc/29/05/32/971290532.db2.gz OHPNUBIWUQPLDR-BCMRRPTOSA-N 1 2 209.293 1.231 20 0 BDADLO CCCc1nnc([C@@H]([NH3+])COC(C)(C)C)o1 ZINC001217697988 971333793 /nfs/dbraw/zinc/33/37/93/971333793.db2.gz ZONAQAJJXGKMAV-QMMMGPOBSA-N 1 2 227.308 1.837 20 0 BDADLO [NH3+][C@H](CO)c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001217697061 971334408 /nfs/dbraw/zinc/33/44/08/971334408.db2.gz UQVWRGWQVYMZKY-GARJFASQSA-N 1 2 245.282 1.333 20 0 BDADLO [NH3+][C@@H](CO)c1nnc(CCCc2ccccc2)o1 ZINC001217699714 971338641 /nfs/dbraw/zinc/33/86/41/971338641.db2.gz VZZJPOFHMAMJDN-NSHDSACASA-N 1 2 247.298 1.237 20 0 BDADLO [NH3+][C@@H](CO)c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001217699622 971339753 /nfs/dbraw/zinc/33/97/53/971339753.db2.gz UQVWRGWQVYMZKY-MXWKQRLJSA-N 1 2 245.282 1.333 20 0 BDADLO Cc1nnc([C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)o1 ZINC001217705711 971344132 /nfs/dbraw/zinc/34/41/32/971344132.db2.gz JCOWKKGFFDZCMP-NKWVEPMBSA-N 1 2 235.209 1.981 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCCCC1 ZINC001257456208 971376689 /nfs/dbraw/zinc/37/66/89/971376689.db2.gz QSESQXZWPQUZLP-ONGXEEELSA-N 1 2 229.295 1.905 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCCCC1 ZINC001257456208 971376694 /nfs/dbraw/zinc/37/66/94/971376694.db2.gz QSESQXZWPQUZLP-ONGXEEELSA-N 1 2 229.295 1.905 20 0 BDADLO Cc1nc(C[NH+]2CCC(n3cnnc3)CC2)co1 ZINC001206073769 971406287 /nfs/dbraw/zinc/40/62/87/971406287.db2.gz CWAPXPITFQKQMR-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cc(=O)cc(O[C@H]2CC[NH2+]CC2(F)F)[nH]1 ZINC001218004568 971567384 /nfs/dbraw/zinc/56/73/84/971567384.db2.gz ASXMMHHRRWRHNC-VIFPVBQESA-N 1 2 244.241 1.472 20 0 BDADLO Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)nc1 ZINC001218006488 971569278 /nfs/dbraw/zinc/56/92/78/971569278.db2.gz LQQIDTKPFMIFHS-MRVPVSSYSA-N 1 2 229.230 1.040 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cocn1 ZINC001133682098 971592239 /nfs/dbraw/zinc/59/22/39/971592239.db2.gz KAXFAONEIXQRTD-UHFFFAOYSA-N 1 2 217.228 1.361 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1ccc3[nH]cnc3c1)C2 ZINC001276770852 971599954 /nfs/dbraw/zinc/59/99/54/971599954.db2.gz VBLLELZOIMTZHL-UHFFFAOYSA-N 1 2 242.326 1.453 20 0 BDADLO C[N@H+]1CCC12CN(Cc1ccc3[nH]cnc3c1)C2 ZINC001276770852 971599964 /nfs/dbraw/zinc/59/99/64/971599964.db2.gz VBLLELZOIMTZHL-UHFFFAOYSA-N 1 2 242.326 1.453 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1ccc3nc[nH]c3c1)C2 ZINC001276770852 971599973 /nfs/dbraw/zinc/59/99/73/971599973.db2.gz VBLLELZOIMTZHL-UHFFFAOYSA-N 1 2 242.326 1.453 20 0 BDADLO C[N@H+]1CCC12CN(Cc1ccc3nc[nH]c3c1)C2 ZINC001276770852 971599982 /nfs/dbraw/zinc/59/99/82/971599982.db2.gz VBLLELZOIMTZHL-UHFFFAOYSA-N 1 2 242.326 1.453 20 0 BDADLO C[N@H+](CC(F)F)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172031345 974298189 /nfs/dbraw/zinc/29/81/89/974298189.db2.gz WWOUQAIYUUHEDG-SECBINFHSA-N 1 2 232.274 1.337 20 0 BDADLO C[N@@H+](CC(F)F)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172031345 974298212 /nfs/dbraw/zinc/29/82/12/974298212.db2.gz WWOUQAIYUUHEDG-SECBINFHSA-N 1 2 232.274 1.337 20 0 BDADLO CN(C)c1cc(C2=CCCOC2)cc[nH+]1 ZINC001245157463 971699044 /nfs/dbraw/zinc/69/90/44/971699044.db2.gz HJTPFSKEKXXISP-UHFFFAOYSA-N 1 2 204.273 1.951 20 0 BDADLO Oc1cc2c(cc1OC[C@H]1C[C@H](O)C1)CC[NH+]=C2 ZINC001218429130 971807298 /nfs/dbraw/zinc/80/72/98/971807298.db2.gz TUTOMILAZJJCIO-OTCDBFHCSA-N 1 2 247.294 1.517 20 0 BDADLO CCCCCOC(=O)C[NH2+][C@H]1CCCOCC1 ZINC001170800520 971843055 /nfs/dbraw/zinc/84/30/55/971843055.db2.gz DINDUPGDLKFUHW-LBPRGKRZSA-N 1 2 243.347 1.879 20 0 BDADLO C[C@@H]1CC[C@H]([NH+]2CC(S(C)(=O)=O)C2)C[C@@H]1C ZINC001172372028 974571180 /nfs/dbraw/zinc/57/11/80/974571180.db2.gz BRUBYSCEIVMVOZ-VWYCJHECSA-N 1 2 245.388 1.540 20 0 BDADLO C=C(N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218847479 971955032 /nfs/dbraw/zinc/95/50/32/971955032.db2.gz GDXPOTPBYNTBIH-UHFFFAOYSA-N 1 2 242.282 1.342 20 0 BDADLO Cc1cncc(C[N@@H+]2CCC[C@@H]2CF)n1 ZINC001203180509 972023586 /nfs/dbraw/zinc/02/35/86/972023586.db2.gz LVSYUMJCSZLIKE-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cncc(C[N@H+]2CCC[C@@H]2CF)n1 ZINC001203180509 972023587 /nfs/dbraw/zinc/02/35/87/972023587.db2.gz LVSYUMJCSZLIKE-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccncc1 ZINC000218794596 972074820 /nfs/dbraw/zinc/07/48/20/972074820.db2.gz SPYFMZZORLQLKN-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO CCN(CCSC)C(=O)Cc1[nH]cc[nH+]1 ZINC001331221707 974649809 /nfs/dbraw/zinc/64/98/09/974649809.db2.gz VSJXLTQJBLKAQH-UHFFFAOYSA-N 1 2 227.333 1.164 20 0 BDADLO CC[C@@H](C)C[C@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220240075 972193556 /nfs/dbraw/zinc/19/35/56/972193556.db2.gz DNAOOHCYYOGFCA-BDAKNGLRSA-N 1 2 216.300 1.239 20 0 BDADLO Cc1cccc(C)c1CNC(=O)C1(F)C[NH2+]C1 ZINC001220347838 972214392 /nfs/dbraw/zinc/21/43/92/972214392.db2.gz MLHZHTZHMIKHHW-UHFFFAOYSA-N 1 2 236.290 1.231 20 0 BDADLO Cc1nnc(C[NH2+][C@H]2COC(C)(C)C2)o1 ZINC000396456127 956869143 /nfs/dbraw/zinc/86/91/43/956869143.db2.gz HEMIACNESSVORD-MRVPVSSYSA-N 1 2 211.265 1.035 20 0 BDADLO Cc1cc(C)c(Nc2c(C(N)=O)cnn2C)c[nH+]1 ZINC001213505554 957004144 /nfs/dbraw/zinc/00/41/44/957004144.db2.gz INBDMBNTLMXHMO-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO CC(=O)c1cccnc1NC1=CC[N@H+](C)CC1 ZINC001208719133 957136848 /nfs/dbraw/zinc/13/68/48/957136848.db2.gz OYTINCIKQZGGTE-UHFFFAOYSA-N 1 2 231.299 1.916 20 0 BDADLO CC(=O)c1cccnc1NC1=CC[N@@H+](C)CC1 ZINC001208719133 957136851 /nfs/dbraw/zinc/13/68/51/957136851.db2.gz OYTINCIKQZGGTE-UHFFFAOYSA-N 1 2 231.299 1.916 20 0 BDADLO COC(=O)[C@H](N/C(C)=C/C=C/[NH3+])C(F)(F)F ZINC001171016075 972246827 /nfs/dbraw/zinc/24/68/27/972246827.db2.gz XOGXYJZHRSYLKP-YBMFFVESSA-N 1 2 238.209 1.056 20 0 BDADLO CO[C@@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC000076244074 957326277 /nfs/dbraw/zinc/32/62/77/957326277.db2.gz PYNYOGACGYCAFO-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425911 957445274 /nfs/dbraw/zinc/44/52/74/957445274.db2.gz GUQFYAIYXRCADR-NEPJUHHUSA-N 1 2 245.326 1.386 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425911 957445282 /nfs/dbraw/zinc/44/52/82/957445282.db2.gz GUQFYAIYXRCADR-NEPJUHHUSA-N 1 2 245.326 1.386 20 0 BDADLO Cn1nc2ccccc2c1C[NH+]1CC(C)(O)C1 ZINC001209534906 957493235 /nfs/dbraw/zinc/49/32/35/957493235.db2.gz OUJGWARAPGNHFM-UHFFFAOYSA-N 1 2 231.299 1.140 20 0 BDADLO Cn1nc2ccccc2c1C[N@H+](C)C1COC1 ZINC001209542184 957494120 /nfs/dbraw/zinc/49/41/20/957494120.db2.gz IUGSJNULLUXPPN-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO Cn1nc2ccccc2c1C[N@@H+](C)C1COC1 ZINC001209542184 957494127 /nfs/dbraw/zinc/49/41/27/957494127.db2.gz IUGSJNULLUXPPN-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO O=C1CC[C@@]2(CCC[N@H+](Cc3ccon3)C2)O1 ZINC001209568778 957508663 /nfs/dbraw/zinc/50/86/63/957508663.db2.gz WYZXAZZCMMSEGT-GFCCVEGCSA-N 1 2 236.271 1.346 20 0 BDADLO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccon3)C2)O1 ZINC001209568778 957508672 /nfs/dbraw/zinc/50/86/72/957508672.db2.gz WYZXAZZCMMSEGT-GFCCVEGCSA-N 1 2 236.271 1.346 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)[nH]2)[C@@H](C)C1 ZINC001209578819 957514118 /nfs/dbraw/zinc/51/41/18/957514118.db2.gz OCQHDYDPTQOYIX-NSHDSACASA-N 1 2 235.331 1.376 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)[nH]2)[C@@H](C)C1 ZINC001209578819 957514124 /nfs/dbraw/zinc/51/41/24/957514124.db2.gz OCQHDYDPTQOYIX-NSHDSACASA-N 1 2 235.331 1.376 20 0 BDADLO N=c1ccc(F)c(N)n1-c1ccc2[nH]c[nH+]c2c1 ZINC001209844187 957541988 /nfs/dbraw/zinc/54/19/88/957541988.db2.gz KASXDEVKPXXBAM-UHFFFAOYSA-N 1 2 243.245 1.554 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3OCC[C@H]3C2)nc[nH+]1 ZINC001167211576 957545723 /nfs/dbraw/zinc/54/57/23/957545723.db2.gz CTSFYBNZUWOBMW-WDEREUQCSA-N 1 2 248.330 1.158 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3OCC[C@H]3C2)[nH+]cn1 ZINC001167211576 957545731 /nfs/dbraw/zinc/54/57/31/957545731.db2.gz CTSFYBNZUWOBMW-WDEREUQCSA-N 1 2 248.330 1.158 20 0 BDADLO Cc1c[nH+]c(Nc2ccnnc2)c(N)c1 ZINC001209956956 957578603 /nfs/dbraw/zinc/57/86/03/957578603.db2.gz CAVMKWGJIKKLRK-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cnc(C)cc2C)no1 ZINC000397416076 957623979 /nfs/dbraw/zinc/62/39/79/957623979.db2.gz ZCPVDEVFNXVJAW-SNVBAGLBSA-N 1 2 248.286 1.395 20 0 BDADLO CC(C)c1nc(CC[N@H+](C)Cc2cnc[nH]2)no1 ZINC001136866038 972281258 /nfs/dbraw/zinc/28/12/58/972281258.db2.gz IEUMRMPDIZUZMG-UHFFFAOYSA-N 1 2 249.318 1.591 20 0 BDADLO CC(C)c1nc(CC[N@@H+](C)Cc2cnc[nH]2)no1 ZINC001136866038 972281262 /nfs/dbraw/zinc/28/12/62/972281262.db2.gz IEUMRMPDIZUZMG-UHFFFAOYSA-N 1 2 249.318 1.591 20 0 BDADLO CC(C)c1nc(CC[N@H+](C)Cc2c[nH]cn2)no1 ZINC001136866038 972281265 /nfs/dbraw/zinc/28/12/65/972281265.db2.gz IEUMRMPDIZUZMG-UHFFFAOYSA-N 1 2 249.318 1.591 20 0 BDADLO CC(C)c1nc(CC[N@@H+](C)Cc2c[nH]cn2)no1 ZINC001136866038 972281270 /nfs/dbraw/zinc/28/12/70/972281270.db2.gz IEUMRMPDIZUZMG-UHFFFAOYSA-N 1 2 249.318 1.591 20 0 BDADLO CC[C@H](C)[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210208236 957670483 /nfs/dbraw/zinc/67/04/83/957670483.db2.gz ROJYAGURYBFEMZ-NWDGAFQWSA-N 1 2 215.337 1.770 20 0 BDADLO Cc1ccnn1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC001136873334 972285015 /nfs/dbraw/zinc/28/50/15/972285015.db2.gz MITJAKWEWYOJEO-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC001347109380 957773576 /nfs/dbraw/zinc/77/35/76/957773576.db2.gz KXPIBIXWIAUAIR-RYUDHWBXSA-N 1 2 247.342 1.754 20 0 BDADLO C[Si](C)(C)c1ccc[nH+]c1NC1CC(=O)C1 ZINC001167336135 957790633 /nfs/dbraw/zinc/79/06/33/957790633.db2.gz PPRFWVGILBMHPT-UHFFFAOYSA-N 1 2 234.375 1.770 20 0 BDADLO O=C1CC(Nc2c[nH+]c3c(c2)CCC3)C1 ZINC001167341604 957801453 /nfs/dbraw/zinc/80/14/53/957801453.db2.gz WSSXTHVTWVSIFU-UHFFFAOYSA-N 1 2 202.257 1.714 20 0 BDADLO Cc1c[nH+]c(Nc2c[nH]c(=O)c(F)c2)c(N)c1 ZINC001210599369 957819253 /nfs/dbraw/zinc/81/92/53/957819253.db2.gz WHENPWKXSZVFIA-UHFFFAOYSA-N 1 2 234.234 1.956 20 0 BDADLO CN(C)c1ccc(NC2CC(=O)C2)[nH+]c1 ZINC001167344885 957821159 /nfs/dbraw/zinc/82/11/59/957821159.db2.gz XRSSDJMUGRAQAR-UHFFFAOYSA-N 1 2 205.261 1.291 20 0 BDADLO CC[C@@H](C)CN1CC[NH2+]CC(F)(F)C1 ZINC001210814782 957910591 /nfs/dbraw/zinc/91/05/91/957910591.db2.gz JTRXVEYUZREQBQ-SECBINFHSA-N 1 2 206.280 1.573 20 0 BDADLO CNc1ncccc1C[NH+]1CC(C(F)F)C1 ZINC000706481239 957919659 /nfs/dbraw/zinc/91/96/59/957919659.db2.gz AFZXNWZWELOZRT-UHFFFAOYSA-N 1 2 227.258 1.820 20 0 BDADLO COc1ncc(C[N@@H+]2CCCC23COC3)cc1C ZINC001137006267 972321195 /nfs/dbraw/zinc/32/11/95/972321195.db2.gz LAHULNYFHKUHAR-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1ncc(C[N@H+]2CCCC23COC3)cc1C ZINC001137006267 972321199 /nfs/dbraw/zinc/32/11/99/972321199.db2.gz LAHULNYFHKUHAR-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO CC(=O)N1CC(Nc2ccc([NH+](C)C)c(C)c2)C1 ZINC001171080374 972327065 /nfs/dbraw/zinc/32/70/65/972327065.db2.gz QSRWOGDNFKIJMF-UHFFFAOYSA-N 1 2 247.342 1.704 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140469427 958541942 /nfs/dbraw/zinc/54/19/42/958541942.db2.gz OSFKXGAQRVRTPQ-UWVGGRQHSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140469427 958541950 /nfs/dbraw/zinc/54/19/50/958541950.db2.gz OSFKXGAQRVRTPQ-UWVGGRQHSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140469429 958542162 /nfs/dbraw/zinc/54/21/62/958542162.db2.gz OSFKXGAQRVRTPQ-ZJUUUORDSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140469429 958542172 /nfs/dbraw/zinc/54/21/72/958542172.db2.gz OSFKXGAQRVRTPQ-ZJUUUORDSA-N 1 2 249.314 1.510 20 0 BDADLO c1cn(CCO[C@@H]2CCc3cccnc32)c[nH+]1 ZINC001222134209 972381061 /nfs/dbraw/zinc/38/10/61/972381061.db2.gz BTWPTMNGWPRDJW-GFCCVEGCSA-N 1 2 229.283 1.982 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(F)(F)C[C@]1(C)CO ZINC001204587454 958877198 /nfs/dbraw/zinc/87/71/98/958877198.db2.gz DLBAGYRMZXTBHC-SNVBAGLBSA-N 1 2 245.273 1.310 20 0 BDADLO C=CC(=O)OC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222134216 972384393 /nfs/dbraw/zinc/38/43/93/972384393.db2.gz BUGJMSVPOACEHP-SNVBAGLBSA-N 1 2 224.260 1.017 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(F)(F)[C@@H](F)C1 ZINC001204587926 958893110 /nfs/dbraw/zinc/89/31/10/958893110.db2.gz NVVPSEINMUVGHY-VIFPVBQESA-N 1 2 233.237 1.897 20 0 BDADLO Cc1cn2c(n1)[C@H](OCCn1cc[nH+]c1)CCC2 ZINC001222138797 972388470 /nfs/dbraw/zinc/38/84/70/972388470.db2.gz KIRSCQHQRRHRAQ-GFCCVEGCSA-N 1 2 246.314 1.940 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[C@@H]1F ZINC001143445947 959022946 /nfs/dbraw/zinc/02/29/46/959022946.db2.gz NDIGZNBVWIPVKN-VWYCJHECSA-N 1 2 249.289 1.135 20 0 BDADLO C=Cc1cnc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167612673 959061203 /nfs/dbraw/zinc/06/12/03/959061203.db2.gz FDWIISOJEYJDEW-UHFFFAOYSA-N 1 2 227.271 1.709 20 0 BDADLO COCc1nccnc1NCc1cc[nH+]c(N)c1 ZINC001167613443 959062434 /nfs/dbraw/zinc/06/24/34/959062434.db2.gz KHMFPGLHROBZKH-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO Cc1cc(NCc2cc[nH+]c(N)c2)nnc1C ZINC001167613650 959072124 /nfs/dbraw/zinc/07/21/24/959072124.db2.gz LMSHNBCVUYPLFD-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Nc1cc(CNc2ccnc3nc[nH]c32)cc[nH+]1 ZINC001167616999 959083181 /nfs/dbraw/zinc/08/31/81/959083181.db2.gz UESMRJPPBKCUMK-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO CCc1ncc(F)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167616647 959083495 /nfs/dbraw/zinc/08/34/95/959083495.db2.gz DMGAOJXJLHQYHK-UHFFFAOYSA-N 1 2 247.277 1.767 20 0 BDADLO COc1ccncc1NCc1cc[nH+]c(N)c1 ZINC001167616901 959086018 /nfs/dbraw/zinc/08/60/18/959086018.db2.gz CBLVKYNZCCNPSA-UHFFFAOYSA-N 1 2 230.271 1.680 20 0 BDADLO COc1cccc(CC[N@H+](C)Cc2cnn[nH]2)c1 ZINC001203205720 959179226 /nfs/dbraw/zinc/17/92/26/959179226.db2.gz DXKFOWIDDHAVMW-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1cccc(CC[N@@H+](C)Cc2cnn[nH]2)c1 ZINC001203205720 959179235 /nfs/dbraw/zinc/17/92/35/959179235.db2.gz DXKFOWIDDHAVMW-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1cccc(CC[N@H+](C)Cc2c[nH]nn2)c1 ZINC001203205720 959179244 /nfs/dbraw/zinc/17/92/44/959179244.db2.gz DXKFOWIDDHAVMW-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1cccc(CC[N@@H+](C)Cc2c[nH]nn2)c1 ZINC001203205720 959179257 /nfs/dbraw/zinc/17/92/57/959179257.db2.gz DXKFOWIDDHAVMW-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)F ZINC000724701767 959215154 /nfs/dbraw/zinc/21/51/54/959215154.db2.gz MKUQVGLYRSIPDU-FNCVBFRFSA-N 1 2 232.274 1.274 20 0 BDADLO CN(Cc1ccsc1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724739063 959325386 /nfs/dbraw/zinc/32/53/86/959325386.db2.gz KXDPPSSMHVTFJX-QMMMGPOBSA-N 1 2 248.298 1.689 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000724776230 959443655 /nfs/dbraw/zinc/44/36/55/959443655.db2.gz YLGJXDPFBDLAAD-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000724776230 959443661 /nfs/dbraw/zinc/44/36/61/959443661.db2.gz YLGJXDPFBDLAAD-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO C[NH2+][C@@H](COC(C)(C)C)c1nnc(C)o1 ZINC001217718757 959561214 /nfs/dbraw/zinc/56/12/14/959561214.db2.gz ZYKPQMCMAZPYLE-QMMMGPOBSA-N 1 2 213.281 1.454 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc[nH]c1 ZINC000179650103 959747142 /nfs/dbraw/zinc/74/71/42/959747142.db2.gz GYWANDMCTNBSGA-LBPRGKRZSA-N 1 2 236.315 1.932 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc[nH]c1 ZINC000179650103 959747153 /nfs/dbraw/zinc/74/71/53/959747153.db2.gz GYWANDMCTNBSGA-LBPRGKRZSA-N 1 2 236.315 1.932 20 0 BDADLO C/C=C/C=C/C(=O)NCCc1[nH+]ccn1C ZINC001144008569 972457922 /nfs/dbraw/zinc/45/79/22/972457922.db2.gz MFRJQUVHOJOLMJ-VNKDHWASSA-N 1 2 219.288 1.211 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1N)c1nncn1C ZINC001352849344 959957027 /nfs/dbraw/zinc/95/70/27/959957027.db2.gz GQVOKTIKHIWIRW-QMMMGPOBSA-N 1 2 249.293 1.387 20 0 BDADLO CC[C@@H](C(=O)OC)[NH+]1CCC(F)(F)CC1 ZINC000695090405 960093612 /nfs/dbraw/zinc/09/36/12/960093612.db2.gz INXOLKBYYVDDKA-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ncco3)C2)no1 ZINC001141004297 960183185 /nfs/dbraw/zinc/18/31/85/960183185.db2.gz AOIJJVCBGKTUJS-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ncco3)C2)no1 ZINC001141004297 960183190 /nfs/dbraw/zinc/18/31/90/960183190.db2.gz AOIJJVCBGKTUJS-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)C1(Cl)CC1 ZINC000695657905 960328805 /nfs/dbraw/zinc/32/88/05/960328805.db2.gz ZBUOQLCKQJFRPK-JGVFFNPUSA-N 1 2 228.727 1.626 20 0 BDADLO CN(C)c1ccc(NC(C)(C)CCO)[nH+]c1 ZINC001167742074 960402234 /nfs/dbraw/zinc/40/22/34/960402234.db2.gz SEJPRTBZSRVEHB-UHFFFAOYSA-N 1 2 223.320 1.721 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(Cl)ncc2F)C[C@H]1O ZINC001140605868 960450589 /nfs/dbraw/zinc/45/05/89/960450589.db2.gz NSDXZISNLBJNNO-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(Cl)ncc2F)C[C@H]1O ZINC001140605868 960450600 /nfs/dbraw/zinc/45/06/00/960450600.db2.gz NSDXZISNLBJNNO-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCO3)C2)cc(C)c1O ZINC001140659017 960478517 /nfs/dbraw/zinc/47/85/17/960478517.db2.gz INBMPBGLLUAHGK-UHFFFAOYSA-N 1 2 233.311 1.984 20 0 BDADLO COc1ccc(C[N@@H+]2CCC23COC3)c(C)c1 ZINC001140678213 960481881 /nfs/dbraw/zinc/48/18/81/960481881.db2.gz URONZWITITZGRC-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO COc1ccc(C[N@H+]2CCC23COC3)c(C)c1 ZINC001140678213 960481895 /nfs/dbraw/zinc/48/18/95/960481895.db2.gz URONZWITITZGRC-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO OCc1ccc(C[N@@H+]2CCOC3(CC3)C2)o1 ZINC001140685018 960499805 /nfs/dbraw/zinc/49/98/05/960499805.db2.gz YWIAWQCWWZORHW-UHFFFAOYSA-N 1 2 223.272 1.137 20 0 BDADLO OCc1ccc(C[N@H+]2CCOC3(CC3)C2)o1 ZINC001140685018 960499815 /nfs/dbraw/zinc/49/98/15/960499815.db2.gz YWIAWQCWWZORHW-UHFFFAOYSA-N 1 2 223.272 1.137 20 0 BDADLO C[C@@H](CC(=O)NC/C=C/C1CC1)n1cc[nH+]c1 ZINC001327223894 972507771 /nfs/dbraw/zinc/50/77/71/972507771.db2.gz VSANKUUKKINLEP-VUDBWIFFSA-N 1 2 233.315 1.917 20 0 BDADLO Nc1ccc(N[C@@H]2NC(=O)c3ccccc32)c[nH+]1 ZINC001171128104 972512174 /nfs/dbraw/zinc/51/21/74/972512174.db2.gz WKGANSMBUAAMSW-GFCCVEGCSA-N 1 2 240.266 1.518 20 0 BDADLO O[C@@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@H]1F ZINC001140802211 960597813 /nfs/dbraw/zinc/59/78/13/960597813.db2.gz QUXLWXYNYJPSAO-DGCLKSJQSA-N 1 2 249.289 1.468 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1N ZINC001140902000 960676108 /nfs/dbraw/zinc/67/61/08/960676108.db2.gz QZCWEWSDKNTMPU-WCQYABFASA-N 1 2 234.299 1.251 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1N ZINC001140902000 960676118 /nfs/dbraw/zinc/67/61/18/960676118.db2.gz QZCWEWSDKNTMPU-WCQYABFASA-N 1 2 234.299 1.251 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140914531 960683741 /nfs/dbraw/zinc/68/37/41/960683741.db2.gz MQKYBQGWHZHPOA-SECBINFHSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140914531 960683752 /nfs/dbraw/zinc/68/37/52/960683752.db2.gz MQKYBQGWHZHPOA-SECBINFHSA-N 1 2 246.232 1.667 20 0 BDADLO Cc1cc(C[N@H+](C)CCc2ccncc2)n[nH]1 ZINC001203076755 960689605 /nfs/dbraw/zinc/68/96/05/960689605.db2.gz JTXSGSCICAACGZ-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1cc(C[N@@H+](C)CCc2ccncc2)n[nH]1 ZINC001203076755 960689614 /nfs/dbraw/zinc/68/96/14/960689614.db2.gz JTXSGSCICAACGZ-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO c1ncc(C[N@@H+]2CCCC3(C2)OCCO3)o1 ZINC001140932242 960710415 /nfs/dbraw/zinc/71/04/15/960710415.db2.gz GHXXGBWTINWRIS-UHFFFAOYSA-N 1 2 224.260 1.014 20 0 BDADLO c1ncc(C[N@H+]2CCCC3(C2)OCCO3)o1 ZINC001140932242 960710433 /nfs/dbraw/zinc/71/04/33/960710433.db2.gz GHXXGBWTINWRIS-UHFFFAOYSA-N 1 2 224.260 1.014 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1ccncc1 ZINC001140934637 960719265 /nfs/dbraw/zinc/71/92/65/960719265.db2.gz QKDLDRLTTFNLNX-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1ccncc1 ZINC001140934637 960719267 /nfs/dbraw/zinc/71/92/67/960719267.db2.gz QKDLDRLTTFNLNX-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)n[nH]1 ZINC001203082374 960753081 /nfs/dbraw/zinc/75/30/81/960753081.db2.gz QHGWMRYRZKURHL-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)n[nH]1 ZINC001203082374 960753098 /nfs/dbraw/zinc/75/30/98/960753098.db2.gz QHGWMRYRZKURHL-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO c1coc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC001141008935 960807272 /nfs/dbraw/zinc/80/72/72/960807272.db2.gz QKFIKEQORITAKJ-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO c1coc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC001141008935 960807275 /nfs/dbraw/zinc/80/72/75/960807275.db2.gz QKFIKEQORITAKJ-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO Cc1ccncc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001141031352 960820487 /nfs/dbraw/zinc/82/04/87/960820487.db2.gz IUFQKWFFLPZAID-UHFFFAOYSA-N 1 2 235.306 1.228 20 0 BDADLO Cc1ncoc1C[NH+]1CCN(CCF)CC1 ZINC001141052752 960846609 /nfs/dbraw/zinc/84/66/09/960846609.db2.gz GXAGNOYMAFWIFQ-UHFFFAOYSA-N 1 2 227.283 1.070 20 0 BDADLO c1nc(C[NH+]2CCC(n3cnnc3)CC2)co1 ZINC001141130174 960881002 /nfs/dbraw/zinc/88/10/02/960881002.db2.gz ANNAIXCZOJSLOA-UHFFFAOYSA-N 1 2 233.275 1.103 20 0 BDADLO CCn1ncc(C[N@H+](CCCCO)C2CC2)n1 ZINC000838836631 961093349 /nfs/dbraw/zinc/09/33/49/961093349.db2.gz JLYOEXNIIIGGFV-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCn1ncc(C[N@@H+](CCCCO)C2CC2)n1 ZINC000838836631 961093380 /nfs/dbraw/zinc/09/33/80/961093380.db2.gz JLYOEXNIIIGGFV-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@]23CCOC3)cn1 ZINC001203120906 961436160 /nfs/dbraw/zinc/43/61/60/961436160.db2.gz HBMUZNPTJPUBRL-LBPRGKRZSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@]23CCOC3)cn1 ZINC001203120906 961436186 /nfs/dbraw/zinc/43/61/86/961436186.db2.gz HBMUZNPTJPUBRL-LBPRGKRZSA-N 1 2 219.288 1.150 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001481647854 961487126 /nfs/dbraw/zinc/48/71/26/961487126.db2.gz HXGAVROFZMTVJJ-JTQLQIEISA-N 1 2 230.327 1.296 20 0 BDADLO CSc1cncc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001142549694 961488339 /nfs/dbraw/zinc/48/83/39/961488339.db2.gz PEVUXAJEDWNNGB-UHFFFAOYSA-N 1 2 248.311 1.708 20 0 BDADLO Cc1ncc(C[NH+]2CC3(CSC3)C2)cn1 ZINC001203122293 961503218 /nfs/dbraw/zinc/50/32/18/961503218.db2.gz WFBSENQWIWHZHI-UHFFFAOYSA-N 1 2 221.329 1.334 20 0 BDADLO Cc1nc(N2CC[C@@H](CO)C2)cc(C(C)C)[nH+]1 ZINC000709796216 961585522 /nfs/dbraw/zinc/58/55/22/961585522.db2.gz QTEYKIVRENLCDD-LLVKDONJSA-N 1 2 235.331 1.727 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)s1 ZINC001139809058 961667956 /nfs/dbraw/zinc/66/79/56/961667956.db2.gz MZIOJSNLXGHBCI-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)s1 ZINC001139809058 961667945 /nfs/dbraw/zinc/66/79/45/961667945.db2.gz MZIOJSNLXGHBCI-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1nc(NCc2ncon2)cc(C(C)C)[nH+]1 ZINC000709842634 961707770 /nfs/dbraw/zinc/70/77/70/961707770.db2.gz SHDQVUIEEDUWBY-UHFFFAOYSA-N 1 2 233.275 1.904 20 0 BDADLO Cc1ccc(Nc2cnc(N)cn2)c(C)[nH+]1 ZINC000087734073 961732415 /nfs/dbraw/zinc/73/24/15/961732415.db2.gz WLHJANFOILSRBX-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CC(C)(C)C(=O)NCCOc1cc[nH+]cc1 ZINC001142781662 961743113 /nfs/dbraw/zinc/74/31/13/961743113.db2.gz FLBSKUJELYMPSR-UHFFFAOYSA-N 1 2 222.288 1.623 20 0 BDADLO COCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001142819971 961779448 /nfs/dbraw/zinc/77/94/48/961779448.db2.gz LHVJWPDXADVHAI-UHFFFAOYSA-N 1 2 245.282 1.516 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccn3ccnc23)C[C@@H]1F ZINC001142945264 961848927 /nfs/dbraw/zinc/84/89/27/961848927.db2.gz ZPDHFAOVZRDCJD-NWDGAFQWSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccn3ccnc23)C[C@@H]1F ZINC001142945264 961848928 /nfs/dbraw/zinc/84/89/28/961848928.db2.gz ZPDHFAOVZRDCJD-NWDGAFQWSA-N 1 2 249.289 1.503 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc2nccn2c1 ZINC001143027883 961867777 /nfs/dbraw/zinc/86/77/77/961867777.db2.gz SVTPRFIFDUPDHY-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc2nccn2c1 ZINC001143027883 961867780 /nfs/dbraw/zinc/86/77/80/961867780.db2.gz SVTPRFIFDUPDHY-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1ccc(CN2Cc3ncsc3C2)c(N)[nH+]1 ZINC001143208483 961939702 /nfs/dbraw/zinc/93/97/02/961939702.db2.gz ZLZVOQJVLJYBAJ-UHFFFAOYSA-N 1 2 246.339 1.945 20 0 BDADLO COc1ccccc1C[N@H+](C)C1(C)COC1 ZINC001203434527 962089231 /nfs/dbraw/zinc/08/92/31/962089231.db2.gz NIJFECBBPPHAEE-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO COc1ccccc1C[N@@H+](C)C1(C)COC1 ZINC001203434527 962089256 /nfs/dbraw/zinc/08/92/56/962089256.db2.gz NIJFECBBPPHAEE-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCc1ccccc1C[N@@H+]1CC[C@H]1C(=O)OC ZINC000130962049 962235597 /nfs/dbraw/zinc/23/55/97/962235597.db2.gz LRWCHLBDGJSHJZ-ZDUSSCGKSA-N 1 2 233.311 1.996 20 0 BDADLO CCc1ccccc1C[N@H+]1CC[C@H]1C(=O)OC ZINC000130962049 962235614 /nfs/dbraw/zinc/23/56/14/962235614.db2.gz LRWCHLBDGJSHJZ-ZDUSSCGKSA-N 1 2 233.311 1.996 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)Cc1ccco1)n1cc[nH+]c1 ZINC000048573378 962431630 /nfs/dbraw/zinc/43/16/30/962431630.db2.gz SCBOFENUIFSHJK-WDEREUQCSA-N 1 2 247.298 1.785 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2CCC1CC2 ZINC001152845247 962483925 /nfs/dbraw/zinc/48/39/25/962483925.db2.gz LYVMXMAOOMAIDG-UHFFFAOYSA-N 1 2 233.315 1.662 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924947236 962583968 /nfs/dbraw/zinc/58/39/68/962583968.db2.gz CAIUJAKHNJOPSF-SCZZXKLOSA-N 1 2 248.334 1.269 20 0 BDADLO Cc1cc(F)ccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001269534392 962704232 /nfs/dbraw/zinc/70/42/32/962704232.db2.gz AZXJJSBQXOVYJS-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO Cc1cc(F)ccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001269534392 962704244 /nfs/dbraw/zinc/70/42/44/962704244.db2.gz AZXJJSBQXOVYJS-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO Cc1c[nH]c2cccc(C(=O)NC3C[NH+](C)C3)c12 ZINC001154085462 962705850 /nfs/dbraw/zinc/70/58/50/962705850.db2.gz SULKUWJPQVVLQK-UHFFFAOYSA-N 1 2 243.310 1.520 20 0 BDADLO C[NH+]1CC(NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001154136946 962718307 /nfs/dbraw/zinc/71/83/07/962718307.db2.gz AFQXNYDXSONMNX-UHFFFAOYSA-N 1 2 247.273 1.351 20 0 BDADLO COc1ccccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001269581223 962720472 /nfs/dbraw/zinc/72/04/72/962720472.db2.gz HXKFDKSSHKMOPU-UHFFFAOYSA-N 1 2 246.310 1.225 20 0 BDADLO COc1ccccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001269581223 962720478 /nfs/dbraw/zinc/72/04/78/962720478.db2.gz HXKFDKSSHKMOPU-UHFFFAOYSA-N 1 2 246.310 1.225 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)c(O)c1 ZINC001270024142 962843476 /nfs/dbraw/zinc/84/34/76/962843476.db2.gz MZBZQXXKLRUHPD-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)c(O)c1 ZINC001270024142 962843483 /nfs/dbraw/zinc/84/34/83/962843483.db2.gz MZBZQXXKLRUHPD-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO CSc1cc[nH+]c(N2CCn3nncc3C2)c1 ZINC001154829525 962860548 /nfs/dbraw/zinc/86/05/48/962860548.db2.gz PJSPMBWHWQTDJL-UHFFFAOYSA-N 1 2 247.327 1.415 20 0 BDADLO COCc1cc[nH+]c(NC[C@@H](O)c2ccco2)c1 ZINC001154869373 962875093 /nfs/dbraw/zinc/87/50/93/962875093.db2.gz VPTROJKBNUNKFC-LLVKDONJSA-N 1 2 248.282 1.967 20 0 BDADLO Cc1oncc1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001154884653 962883932 /nfs/dbraw/zinc/88/39/32/962883932.db2.gz RISFTIGBHIZBTR-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO CSc1nc(NCc2ncon2)cc(C)[nH+]1 ZINC001154887972 962885050 /nfs/dbraw/zinc/88/50/50/962885050.db2.gz WMCCUDPXFRDVFY-UHFFFAOYSA-N 1 2 237.288 1.502 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC000092973374 962931634 /nfs/dbraw/zinc/93/16/34/962931634.db2.gz PXZWMFGRSIWNGJ-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO C[C@@H]1SCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894364024 962967646 /nfs/dbraw/zinc/96/76/46/962967646.db2.gz PIFFPLSTTOSIMX-DTWKUNHWSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@@H]1SCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894364024 962967650 /nfs/dbraw/zinc/96/76/50/962967650.db2.gz PIFFPLSTTOSIMX-DTWKUNHWSA-N 1 2 238.360 1.849 20 0 BDADLO COC1C[C@H]2CC[C@@H](C1)N2c1cc(N)nc[nH+]1 ZINC001155810688 963179006 /nfs/dbraw/zinc/17/90/06/963179006.db2.gz SIHJKVOTIDYNOM-ULKQDVFKSA-N 1 2 234.303 1.205 20 0 BDADLO C[NH+]1CC(Oc2cccc3ncccc32)C1 ZINC001226656542 963275114 /nfs/dbraw/zinc/27/51/14/963275114.db2.gz XUSVBBOPZSMLNN-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc(F)nc2)C1 ZINC001226698152 963299709 /nfs/dbraw/zinc/29/97/09/963299709.db2.gz PMSPQXACXJYFPV-UHFFFAOYSA-N 1 2 210.252 1.692 20 0 BDADLO C[NH+]1CC(Oc2cccc3c2CCC3)C1 ZINC001226789174 963356977 /nfs/dbraw/zinc/35/69/77/963356977.db2.gz KGESUYFMTVUORF-UHFFFAOYSA-N 1 2 203.285 1.868 20 0 BDADLO CCCOCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156537921 963383146 /nfs/dbraw/zinc/38/31/46/963383146.db2.gz DALBJZDFNPRVEE-UHFFFAOYSA-N 1 2 225.292 1.015 20 0 BDADLO CCCOCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156537921 963383157 /nfs/dbraw/zinc/38/31/57/963383157.db2.gz DALBJZDFNPRVEE-UHFFFAOYSA-N 1 2 225.292 1.015 20 0 BDADLO CSc1nc(NCc2cncnc2)cc(C)[nH+]1 ZINC001156570745 963390900 /nfs/dbraw/zinc/39/09/00/963390900.db2.gz WSIFVIOUZSBNHW-UHFFFAOYSA-N 1 2 247.327 1.909 20 0 BDADLO COc1ccc(NCc2cc[nH+]c(N)c2)nn1 ZINC001156756238 963455464 /nfs/dbraw/zinc/45/54/64/963455464.db2.gz UNQMZLMPRHMJFU-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO COC(=O)CCN(C)c1[nH+]c(C)ccc1OC ZINC001156809220 963466752 /nfs/dbraw/zinc/46/67/52/963466752.db2.gz KCWSZUJMSMSGMF-UHFFFAOYSA-N 1 2 238.287 1.398 20 0 BDADLO C[NH+]1CC(Oc2ccc3oc(=O)ccc3c2)C1 ZINC001227226145 963482358 /nfs/dbraw/zinc/48/23/58/963482358.db2.gz UMDOCABXQPDRNA-UHFFFAOYSA-N 1 2 231.251 1.486 20 0 BDADLO CCOC(=O)C=Cc1cccnc1NC=[NH2+] ZINC001157073394 963518694 /nfs/dbraw/zinc/51/86/94/963518694.db2.gz JHTSBGPHPHWHBJ-AATRIKPKSA-N 1 2 219.244 1.677 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@H]2C(C)C)[nH+]c1C ZINC000896914267 963526929 /nfs/dbraw/zinc/52/69/29/963526929.db2.gz WUIYQGJWQPMFNZ-QWRGUYRKSA-N 1 2 235.331 1.935 20 0 BDADLO Nc1ccc2c(c1)CN(c1cc(N)nc[nH+]1)CC2 ZINC001157226626 963556702 /nfs/dbraw/zinc/55/67/02/963556702.db2.gz YTHZFAYEPDLMHM-UHFFFAOYSA-N 1 2 241.298 1.204 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1nnc(C)cc1C ZINC001157459599 963620994 /nfs/dbraw/zinc/62/09/94/963620994.db2.gz CGYZXFXVLPBCTF-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO CC[N@H+](Cc1nc(COC(C)C)no1)C1CC1 ZINC000342224281 963626374 /nfs/dbraw/zinc/62/63/74/963626374.db2.gz WNIWMVSXPKYISJ-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO CC[N@@H+](Cc1nc(COC(C)C)no1)C1CC1 ZINC000342224281 963626378 /nfs/dbraw/zinc/62/63/78/963626378.db2.gz WNIWMVSXPKYISJ-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO Cn1c[nH+]c(CCNc2cc(C(=O)[O-])cc[nH+]2)c1 ZINC000313247827 963629545 /nfs/dbraw/zinc/62/95/45/963629545.db2.gz UFTJBFNTVXBAPV-UHFFFAOYSA-N 1 2 246.270 1.168 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2C[C@@](C)(O)C2)c1C(N)=O ZINC001157554738 963659248 /nfs/dbraw/zinc/65/92/48/963659248.db2.gz TUZBYQIYMNOPJV-SWZMTVOYSA-N 1 2 249.314 1.062 20 0 BDADLO C[NH+]1CC(Oc2ccc(-c3nnco3)cc2)C1 ZINC001228302382 963737760 /nfs/dbraw/zinc/73/77/60/963737760.db2.gz LGEPRCFWOYSKLM-UHFFFAOYSA-N 1 2 231.255 1.429 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@@H]1CC(=O)N(C)C1 ZINC001157904729 963761147 /nfs/dbraw/zinc/76/11/47/963761147.db2.gz IDQIAZVMJVAPDH-VIFPVBQESA-N 1 2 237.278 1.419 20 0 BDADLO CSCc1ccc(NCCn2cnnc2)[nH+]c1 ZINC001158038285 963798747 /nfs/dbraw/zinc/79/87/47/963798747.db2.gz HGBFLGSOVWWKFP-UHFFFAOYSA-N 1 2 249.343 1.648 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cncn1C ZINC001204385990 963914226 /nfs/dbraw/zinc/91/42/26/963914226.db2.gz NFRRMZLGTAEXAU-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cncn1C ZINC001204385990 963914232 /nfs/dbraw/zinc/91/42/32/963914232.db2.gz NFRRMZLGTAEXAU-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1cncn1C ZINC001204386355 963922656 /nfs/dbraw/zinc/92/26/56/963922656.db2.gz VFOCLZFBGCXOJJ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1cncn1C ZINC001204386355 963922662 /nfs/dbraw/zinc/92/26/62/963922662.db2.gz VFOCLZFBGCXOJJ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1nc2c(s1)CN(Cc1c[nH+]cn1C)CC2 ZINC001204387284 963951069 /nfs/dbraw/zinc/95/10/69/963951069.db2.gz AYTQBVFEXZUHEJ-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO COC(=O)C1([NH2+]C2CCC(C)CC2)CC1 ZINC001168192975 963955726 /nfs/dbraw/zinc/95/57/26/963955726.db2.gz KDGYJMJDVDSLCH-UHFFFAOYSA-N 1 2 211.305 1.860 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C1CCC(C)CC1)[C@@H](C)O ZINC001168199248 963963236 /nfs/dbraw/zinc/96/32/36/963963236.db2.gz JLZZQFNUTFCVQQ-RUJICJSRSA-N 1 2 243.347 1.467 20 0 BDADLO CCc1nc(N2C[C@@H]3CCCC(=O)[C@H]3C2)cc[nH+]1 ZINC001158999915 963973281 /nfs/dbraw/zinc/97/32/81/963973281.db2.gz IXVZJMQQQDUAPN-QWRGUYRKSA-N 1 2 245.326 1.844 20 0 BDADLO c1cc2cc(NC[C@H]3COCCO3)[nH+]cc2[nH]1 ZINC001168261586 964084291 /nfs/dbraw/zinc/08/42/91/964084291.db2.gz QRPGRGAUHRXJKK-JTQLQIEISA-N 1 2 233.271 1.390 20 0 BDADLO Cc1ccc(-c2noc(C[NH+]3CCC3)n2)nc1 ZINC001212095654 964258995 /nfs/dbraw/zinc/25/89/95/964258995.db2.gz SDKYAONBEKMHPE-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(C)C ZINC000148475196 964310148 /nfs/dbraw/zinc/31/01/48/964310148.db2.gz QELTYNLTAFPXSX-MXWKQRLJSA-N 1 2 229.320 1.341 20 0 BDADLO COC(=O)C[C@H](C)Nc1[nH+]c(C)ccc1OC ZINC001160529274 964325484 /nfs/dbraw/zinc/32/54/84/964325484.db2.gz XAKGHTIXKNTBEI-VIFPVBQESA-N 1 2 238.287 1.762 20 0 BDADLO CC(C)n1cccc(NC2C[NH+](C(C)C)C2)c1=O ZINC001168317451 964430438 /nfs/dbraw/zinc/43/04/38/964430438.db2.gz MHBPWMAIHXJYHX-UHFFFAOYSA-N 1 2 249.358 1.934 20 0 BDADLO COC(=O)c1c(OC)cc[nH+]c1NCC(C)C ZINC001161644906 964659993 /nfs/dbraw/zinc/65/99/93/964659993.db2.gz MKLXAAJYYONYBZ-UHFFFAOYSA-N 1 2 238.287 1.945 20 0 BDADLO c1cn(CCCNc2ccc3ncnn3c2)c[nH+]1 ZINC001161682736 964683778 /nfs/dbraw/zinc/68/37/78/964683778.db2.gz YKAMHSZREBPEAG-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO c1cn(CCCNc2cncc3nnoc32)c[nH+]1 ZINC001161689220 964686967 /nfs/dbraw/zinc/68/69/67/964686967.db2.gz LGLIEZOJEDMQSH-UHFFFAOYSA-N 1 2 244.258 1.317 20 0 BDADLO Cc1nnc(CNc2[nH+]ccc(F)c2C)o1 ZINC001161712211 964702581 /nfs/dbraw/zinc/70/25/81/964702581.db2.gz FHXYTLUILDQHEU-UHFFFAOYSA-N 1 2 222.223 1.833 20 0 BDADLO CC(C)OCCNc1ccn2cc(N)[nH+]c2c1 ZINC001161788560 964756014 /nfs/dbraw/zinc/75/60/14/964756014.db2.gz DVBWNJZKUUTMHM-UHFFFAOYSA-N 1 2 234.303 1.753 20 0 BDADLO O=C1COc2c[nH+]c(NC3CCOCC3)cc2N1 ZINC001161858769 964795389 /nfs/dbraw/zinc/79/53/89/964795389.db2.gz FVAZPVGGZAXPKM-UHFFFAOYSA-N 1 2 249.270 1.003 20 0 BDADLO CCN(C)c1cc(NCc2ccnn2C)[nH+]cn1 ZINC001161870773 964803772 /nfs/dbraw/zinc/80/37/72/964803772.db2.gz GZUQKJDDPQTILD-UHFFFAOYSA-N 1 2 246.318 1.278 20 0 BDADLO CCN(C)c1cc(NCc2ccnn2C)nc[nH+]1 ZINC001161870773 964803778 /nfs/dbraw/zinc/80/37/78/964803778.db2.gz GZUQKJDDPQTILD-UHFFFAOYSA-N 1 2 246.318 1.278 20 0 BDADLO CCc1coc(CNc2cc[nH+]c(C)n2)n1 ZINC001162138329 964855490 /nfs/dbraw/zinc/85/54/90/964855490.db2.gz UOVVYJLRCCFVAQ-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3nc[nH]c32)CCC1=O ZINC001142673105 964882553 /nfs/dbraw/zinc/88/25/53/964882553.db2.gz ZKDLVSMMWFSBMO-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3nc[nH]c32)CCC1=O ZINC001142673105 964882557 /nfs/dbraw/zinc/88/25/57/964882557.db2.gz ZKDLVSMMWFSBMO-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO Cc1oncc1CNc1cc[nH+]cc1F ZINC001162269527 964896771 /nfs/dbraw/zinc/89/67/71/964896771.db2.gz MOLXVMNOPNKOKI-UHFFFAOYSA-N 1 2 207.208 1.551 20 0 BDADLO CCOC(C)(C)CNc1cc(NC)nc[nH+]1 ZINC000167103803 965219226 /nfs/dbraw/zinc/21/92/26/965219226.db2.gz RQXVTRLOCSOIAJ-UHFFFAOYSA-N 1 2 224.308 1.745 20 0 BDADLO COc1c[nH+]c(N[C@@H]2CNC(=O)C2(C)C)c(C)c1 ZINC001163009111 965227277 /nfs/dbraw/zinc/22/72/77/965227277.db2.gz RJUBYQXNTMQRKK-SNVBAGLBSA-N 1 2 249.314 1.335 20 0 BDADLO Cc1nc(NCc2ccn(C)c(=O)c2)cc[nH+]1 ZINC001168401929 965228134 /nfs/dbraw/zinc/22/81/34/965228134.db2.gz FULJHAKXZIWJMF-UHFFFAOYSA-N 1 2 230.271 1.096 20 0 BDADLO CCOc1ccc[nH+]c1N[C@H]1CNC(=O)C1(C)C ZINC001163014924 965230229 /nfs/dbraw/zinc/23/02/29/965230229.db2.gz CMMAJIWDWLXKEF-JTQLQIEISA-N 1 2 249.314 1.417 20 0 BDADLO CC(C)c1ccc(NC[C@@H]2CNC(=O)O2)[nH+]c1 ZINC001163018231 965234870 /nfs/dbraw/zinc/23/48/70/965234870.db2.gz FRJUXISJJSAWCR-SNVBAGLBSA-N 1 2 235.287 1.725 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@H]1CNC(=O)O1 ZINC001163018314 965235563 /nfs/dbraw/zinc/23/55/63/965235563.db2.gz HDUOEPBVIVJQAC-ZETCQYMHSA-N 1 2 225.223 1.049 20 0 BDADLO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)C(=O)OC(C)(C)C ZINC000696096155 965237947 /nfs/dbraw/zinc/23/79/47/965237947.db2.gz RJTUASRTMZLQMT-NXEZZACHSA-N 1 2 243.347 1.467 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccccc1O ZINC000059219615 965246507 /nfs/dbraw/zinc/24/65/07/965246507.db2.gz WPIUGZNPRVHPCN-UHFFFAOYSA-N 1 2 232.239 1.446 20 0 BDADLO CC(C)(C)OC(=O)CCNc1c[nH+]cc(N)c1 ZINC001163414392 965399810 /nfs/dbraw/zinc/39/98/10/965399810.db2.gz NEKOPYJCNXJKBF-UHFFFAOYSA-N 1 2 237.303 1.808 20 0 BDADLO CCOC(=O)C=C(N)Nc1cc[nH+]c(CC)c1 ZINC001163449067 965408839 /nfs/dbraw/zinc/40/88/39/965408839.db2.gz MTXSKZPHDFSSED-UHFFFAOYSA-N 1 2 235.287 1.408 20 0 BDADLO Oc1ccc2[nH]cc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)c2c1 ZINC001232868436 965422589 /nfs/dbraw/zinc/42/25/89/965422589.db2.gz LOFSRZVLNJRGOI-UONOGXRCSA-N 1 2 244.294 1.847 20 0 BDADLO Oc1ccc2[nH]cc(C[N@H+]3CCO[C@@H]4C[C@@H]43)c2c1 ZINC001232868436 965422592 /nfs/dbraw/zinc/42/25/92/965422592.db2.gz LOFSRZVLNJRGOI-UONOGXRCSA-N 1 2 244.294 1.847 20 0 BDADLO Cc1c[nH+]c(N2CCC2)nc1NC1CC1 ZINC001163532870 965428843 /nfs/dbraw/zinc/42/88/43/965428843.db2.gz MTLYHYRFLSSINY-UHFFFAOYSA-N 1 2 204.277 1.569 20 0 BDADLO C[C@H]1CCCN(c2cc(N3CCC3)[nH+]cn2)C1 ZINC001163537899 965432239 /nfs/dbraw/zinc/43/22/39/965432239.db2.gz BWHDGTOAJXXGIT-NSHDSACASA-N 1 2 232.331 1.923 20 0 BDADLO C[C@H]1CCCN(c2cc(N3CCC3)nc[nH+]2)C1 ZINC001163537899 965432260 /nfs/dbraw/zinc/43/22/60/965432260.db2.gz BWHDGTOAJXXGIT-NSHDSACASA-N 1 2 232.331 1.923 20 0 BDADLO c1nc(N2CCSCC2)cc(N2CCC2)[nH+]1 ZINC001163538940 965435943 /nfs/dbraw/zinc/43/59/43/965435943.db2.gz PVUBNBDKSBYNJQ-UHFFFAOYSA-N 1 2 236.344 1.240 20 0 BDADLO c1nc(N2CCC2)cc(N2CCSCC2)[nH+]1 ZINC001163538940 965435951 /nfs/dbraw/zinc/43/59/51/965435951.db2.gz PVUBNBDKSBYNJQ-UHFFFAOYSA-N 1 2 236.344 1.240 20 0 BDADLO O=C1NC(=O)[C@@H](Nc2ccc3[nH]c[nH+]c3c2)S1 ZINC001163671426 965498994 /nfs/dbraw/zinc/49/89/94/965498994.db2.gz FCYZTTUDYYVWOQ-VIFPVBQESA-N 1 2 248.267 1.284 20 0 BDADLO CC(C)c1ccc(N2CCn3cnnc3C2)[nH+]c1 ZINC001163679231 965502769 /nfs/dbraw/zinc/50/27/69/965502769.db2.gz AKSLEQXEAWVUBK-UHFFFAOYSA-N 1 2 243.314 1.817 20 0 BDADLO COCC1CN(c2nc(C)[nH+]c3c2CCC3)C1 ZINC001163732631 965546909 /nfs/dbraw/zinc/54/69/09/965546909.db2.gz LEXBBJMYAXZNQX-UHFFFAOYSA-N 1 2 233.315 1.356 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2CC3(CC(O)C3)C2)c1 ZINC001163735031 965551836 /nfs/dbraw/zinc/55/18/36/965551836.db2.gz CMOBMWJTMYQWJM-UHFFFAOYSA-N 1 2 239.706 1.278 20 0 BDADLO Cc1c[nH+]c(N2CC(N3CC(F)C3)C2)c(C)c1 ZINC001163755460 965569477 /nfs/dbraw/zinc/56/94/77/965569477.db2.gz LSJFKDSFFKGGHQ-UHFFFAOYSA-N 1 2 235.306 1.541 20 0 BDADLO CC(C)(C)C(=O)C[NH2+]c1ccc2c(=O)[nH]cc-2[nH]1 ZINC001164000751 965686327 /nfs/dbraw/zinc/68/63/27/965686327.db2.gz VPRNMZCAINJORG-UHFFFAOYSA-N 1 2 247.298 1.352 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCCC(=O)[C@H](F)C1 ZINC001164132398 965753458 /nfs/dbraw/zinc/75/34/58/965753458.db2.gz IQHQQDIRCAHPTN-SNVBAGLBSA-N 1 2 237.278 1.601 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@@](C)(CO)C2)c1 ZINC001164144361 965755629 /nfs/dbraw/zinc/75/56/29/965755629.db2.gz TYSDNCGXPWCRFO-CYBMUJFWSA-N 1 2 236.315 1.437 20 0 BDADLO C[C@H]1C[C@@H](CO)N(c2cc(N)cc(Cl)[nH+]2)C1 ZINC001164150610 965761429 /nfs/dbraw/zinc/76/14/29/965761429.db2.gz NMNJHYIPHMWORM-CBAPKCEASA-N 1 2 241.722 1.524 20 0 BDADLO CC(C)Oc1cc(NC[C@H]2CCC(=O)N2)cc[nH+]1 ZINC001164166539 965771345 /nfs/dbraw/zinc/77/13/45/965771345.db2.gz DNUIIZRTPVFOBP-LLVKDONJSA-N 1 2 249.314 1.559 20 0 BDADLO Nc1[nH+]ccc(F)c1NCC1(CO)CCC1 ZINC001164363761 965858627 /nfs/dbraw/zinc/85/86/27/965858627.db2.gz KQDGONKTQDYVOO-UHFFFAOYSA-N 1 2 225.267 1.377 20 0 BDADLO CSc1cc[nH+]c(N2CCOC[C@H](O)C2)c1 ZINC001164519213 965900706 /nfs/dbraw/zinc/90/07/06/965900706.db2.gz VLVRVZOGQPJIDF-SECBINFHSA-N 1 2 240.328 1.001 20 0 BDADLO C[C@H](CCO)Nc1[nH+]cnc2[nH]cc(F)c21 ZINC001165859122 966182514 /nfs/dbraw/zinc/18/25/14/966182514.db2.gz SLPGOLJLLISFTP-ZCFIWIBFSA-N 1 2 224.239 1.280 20 0 BDADLO CC1(C[NH3+])C[NH+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC001206710896 966184262 /nfs/dbraw/zinc/18/42/62/966184262.db2.gz AOPOWWZFFRFGGF-UHFFFAOYSA-N 1 2 234.299 1.165 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)n1cc[nH+]c1 ZINC000253372298 966261918 /nfs/dbraw/zinc/26/19/18/966261918.db2.gz DXZLWJKCKBNETO-AXFHLTTASA-N 1 2 237.303 1.080 20 0 BDADLO Cc1c[nH+]c(Nc2cc[nH]c(=O)c2)c(N)c1 ZINC001212267687 966392215 /nfs/dbraw/zinc/39/22/15/966392215.db2.gz XEORJDSPBFPBSY-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO COC(=O)c1ccnc(NCc2c[nH+]cn2C)c1 ZINC000388487873 966420729 /nfs/dbraw/zinc/42/07/29/966420729.db2.gz DREWSIRXGBPAIA-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO CCc1cn(CC(=O)c2cccn2C)c[nH+]1 ZINC001166822477 966426391 /nfs/dbraw/zinc/42/63/91/966426391.db2.gz LSPHXHQYEXTVLY-UHFFFAOYSA-N 1 2 217.272 1.667 20 0 BDADLO Cc1cc(Cl)c(C)c(N2CC(O)C2)[nH+]1 ZINC001166936258 966451546 /nfs/dbraw/zinc/45/15/46/966451546.db2.gz JBDHJKCCWUJFOR-UHFFFAOYSA-N 1 2 212.680 1.533 20 0 BDADLO CCN(c1[nH+]ccc(C)c1NC(C)=O)C1COC1 ZINC001166943545 966470235 /nfs/dbraw/zinc/47/02/35/966470235.db2.gz PDNGRFUVKDBOTA-UHFFFAOYSA-N 1 2 249.314 1.574 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccco1 ZINC001203273215 966590231 /nfs/dbraw/zinc/59/02/31/966590231.db2.gz WWGZOXBZCCKYEV-UHTWSYAYSA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccco1 ZINC001203273215 966590246 /nfs/dbraw/zinc/59/02/46/966590246.db2.gz WWGZOXBZCCKYEV-UHTWSYAYSA-N 1 2 237.299 1.251 20 0 BDADLO CCN(Cc1cccn1C)C1C[NH+](C)C1 ZINC001203267759 966592639 /nfs/dbraw/zinc/59/26/39/966592639.db2.gz ZSPSJSPUARQXCH-UHFFFAOYSA-N 1 2 207.321 1.161 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccccc2F)C1 ZINC001203352687 966609032 /nfs/dbraw/zinc/60/90/32/966609032.db2.gz KUIOMMDHSHJESX-UHFFFAOYSA-N 1 2 237.274 1.821 20 0 BDADLO Cc1ccc(Nc2cnn(C)n2)c(C)[nH+]1 ZINC001203370781 966618672 /nfs/dbraw/zinc/61/86/72/966618672.db2.gz VBECMFYXFXGXBJ-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO CNc1ccc(Nc2[nH+]cccc2N)cn1 ZINC001203448813 966650206 /nfs/dbraw/zinc/65/02/06/966650206.db2.gz LJIFMZADGONMOF-UHFFFAOYSA-N 1 2 215.260 1.844 20 0 BDADLO CNc1ccc(Nc2ncccc2N)c[nH+]1 ZINC001203448813 966650211 /nfs/dbraw/zinc/65/02/11/966650211.db2.gz LJIFMZADGONMOF-UHFFFAOYSA-N 1 2 215.260 1.844 20 0 BDADLO CNc1ccc(Nc2ncnn3cccc23)c[nH+]1 ZINC001203448730 966650537 /nfs/dbraw/zinc/65/05/37/966650537.db2.gz HIENAMHWEMUQQR-UHFFFAOYSA-N 1 2 240.270 1.332 20 0 BDADLO COc1ccc(C[N@H+](C)C2COC2)cc1F ZINC001203793450 966782486 /nfs/dbraw/zinc/78/24/86/966782486.db2.gz JPZNXBXTCQRWMS-UHFFFAOYSA-N 1 2 225.263 1.665 20 0 BDADLO COc1ccc(C[N@@H+](C)C2COC2)cc1F ZINC001203793450 966782495 /nfs/dbraw/zinc/78/24/95/966782495.db2.gz JPZNXBXTCQRWMS-UHFFFAOYSA-N 1 2 225.263 1.665 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859547 966798773 /nfs/dbraw/zinc/79/87/73/966798773.db2.gz VZOAXEPUGNDVGT-QWHCGFSZSA-N 1 2 239.290 1.687 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859547 966798785 /nfs/dbraw/zinc/79/87/85/966798785.db2.gz VZOAXEPUGNDVGT-QWHCGFSZSA-N 1 2 239.290 1.687 20 0 BDADLO Cn1cnc2c1C[N@H+](Cc1cccc(O)c1)CC2 ZINC001203866802 966802678 /nfs/dbraw/zinc/80/26/78/966802678.db2.gz AFDCIIIPQMOVMY-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cnc2c1C[N@@H+](Cc1cccc(O)c1)CC2 ZINC001203866802 966802685 /nfs/dbraw/zinc/80/26/85/966802685.db2.gz AFDCIIIPQMOVMY-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127810856 966809144 /nfs/dbraw/zinc/80/91/44/966809144.db2.gz OKIZPOLPWRWOPZ-LURJTMIESA-N 1 2 230.205 1.003 20 0 BDADLO CCC[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127810856 966809154 /nfs/dbraw/zinc/80/91/54/966809154.db2.gz OKIZPOLPWRWOPZ-LURJTMIESA-N 1 2 230.205 1.003 20 0 BDADLO CC(=O)Nc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001203927768 966821120 /nfs/dbraw/zinc/82/11/20/966821120.db2.gz DWJPVDTXKGKYAI-UHFFFAOYSA-N 1 2 246.310 1.620 20 0 BDADLO CC(=O)Nc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001203927768 966821129 /nfs/dbraw/zinc/82/11/29/966821129.db2.gz DWJPVDTXKGKYAI-UHFFFAOYSA-N 1 2 246.310 1.620 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001203977981 966836142 /nfs/dbraw/zinc/83/61/42/966836142.db2.gz SCKGUVZDZBAZTL-ZJUUUORDSA-N 1 2 207.277 1.021 20 0 BDADLO CCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001060783110 966836861 /nfs/dbraw/zinc/83/68/61/966836861.db2.gz WJSADTNISDLYEJ-LLVKDONJSA-N 1 2 248.330 1.455 20 0 BDADLO FCCN1CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204008892 966841850 /nfs/dbraw/zinc/84/18/50/966841850.db2.gz LEHLTDLAZOVZJM-UHFFFAOYSA-N 1 2 211.284 1.102 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc[nH]1 ZINC001204011051 966852409 /nfs/dbraw/zinc/85/24/09/966852409.db2.gz GUDSIQMASYGTSV-NSHDSACASA-N 1 2 224.304 1.644 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc[nH]1 ZINC001204011051 966852413 /nfs/dbraw/zinc/85/24/13/966852413.db2.gz GUDSIQMASYGTSV-NSHDSACASA-N 1 2 224.304 1.644 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CCO1 ZINC001204050950 966871720 /nfs/dbraw/zinc/87/17/20/966871720.db2.gz BYGMSUHYXRXVMY-JTQLQIEISA-N 1 2 235.283 1.636 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)CCO1 ZINC001204050950 966871721 /nfs/dbraw/zinc/87/17/21/966871721.db2.gz BYGMSUHYXRXVMY-JTQLQIEISA-N 1 2 235.283 1.636 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccccn1 ZINC001204066484 966875387 /nfs/dbraw/zinc/87/53/87/966875387.db2.gz XJHJTTSCAMYSBF-WXHSDQCUSA-N 1 2 246.310 1.608 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccccn1 ZINC001204066484 966875390 /nfs/dbraw/zinc/87/53/90/966875390.db2.gz XJHJTTSCAMYSBF-WXHSDQCUSA-N 1 2 246.310 1.608 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccnc2)CCC1=O ZINC001204072392 966880912 /nfs/dbraw/zinc/88/09/12/966880912.db2.gz BCJZIKULDGRZCF-LLVKDONJSA-N 1 2 218.300 1.883 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccnc2)CCC1=O ZINC001204072392 966880916 /nfs/dbraw/zinc/88/09/16/966880916.db2.gz BCJZIKULDGRZCF-LLVKDONJSA-N 1 2 218.300 1.883 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC001204093375 966891498 /nfs/dbraw/zinc/89/14/98/966891498.db2.gz FZLFMTWKEVASBP-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC001204093375 966891504 /nfs/dbraw/zinc/89/15/04/966891504.db2.gz FZLFMTWKEVASBP-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccoc2)C1 ZINC001204241006 966938760 /nfs/dbraw/zinc/93/87/60/966938760.db2.gz QQKGWWHHVHCWAI-MNOVXSKESA-N 1 2 213.252 1.432 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccoc2)C1 ZINC001204241006 966938766 /nfs/dbraw/zinc/93/87/66/966938766.db2.gz QQKGWWHHVHCWAI-MNOVXSKESA-N 1 2 213.252 1.432 20 0 BDADLO Cc1cc(-c2ccc(C(N)=O)nc2)c[nH+]c1N ZINC001239555039 966990928 /nfs/dbraw/zinc/99/09/28/966990928.db2.gz JXNGDTOUKSRUFF-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1ccco1)n1cc[nH+]c1 ZINC000045857877 966995832 /nfs/dbraw/zinc/99/58/32/966995832.db2.gz SQRDPHXEEUYBIO-JTQLQIEISA-N 1 2 233.271 1.696 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1F ZINC001204487819 967007048 /nfs/dbraw/zinc/00/70/48/967007048.db2.gz QEWJXEROZOOQJE-NWDGAFQWSA-N 1 2 237.274 1.136 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1F ZINC001204487819 967007055 /nfs/dbraw/zinc/00/70/55/967007055.db2.gz QEWJXEROZOOQJE-NWDGAFQWSA-N 1 2 237.274 1.136 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc2c1OCC2 ZINC001204492387 967007520 /nfs/dbraw/zinc/00/75/20/967007520.db2.gz MHKTZXOSIYOHIH-BETUJISGSA-N 1 2 231.295 1.595 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc2c1OCC2 ZINC001204492387 967007524 /nfs/dbraw/zinc/00/75/24/967007524.db2.gz MHKTZXOSIYOHIH-BETUJISGSA-N 1 2 231.295 1.595 20 0 BDADLO c1csc(C[N@@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001204544523 967042309 /nfs/dbraw/zinc/04/23/09/967042309.db2.gz DAWRFINDUDPJNP-RKDXNWHRSA-N 1 2 210.302 1.506 20 0 BDADLO c1csc(C[N@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001204544523 967042327 /nfs/dbraw/zinc/04/23/27/967042327.db2.gz DAWRFINDUDPJNP-RKDXNWHRSA-N 1 2 210.302 1.506 20 0 BDADLO Nc1ccc2c(c1)c(=O)[nH]n2-c1ccc[nH+]c1N ZINC001212401874 967050564 /nfs/dbraw/zinc/05/05/64/967050564.db2.gz KKFXZFFVUXRYQP-UHFFFAOYSA-N 1 2 241.254 1.291 20 0 BDADLO Cc1c(C[N@@H+]2CCc3cccnc3C2)cnn1C ZINC001204571681 967053956 /nfs/dbraw/zinc/05/39/56/967053956.db2.gz CNVWSSNCMPUKMX-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1c(C[N@H+]2CCc3cccnc3C2)cnn1C ZINC001204571681 967053969 /nfs/dbraw/zinc/05/39/69/967053969.db2.gz CNVWSSNCMPUKMX-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cc(-n2nc3c(c2N)CCCC3)c[nH+]c1N ZINC001249784266 967061630 /nfs/dbraw/zinc/06/16/30/967061630.db2.gz HTWVIYCLPHRSDX-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)C(F)(F)C1 ZINC001204590098 967085421 /nfs/dbraw/zinc/08/54/21/967085421.db2.gz NHZIGYQPRGDCCA-UHFFFAOYSA-N 1 2 229.230 1.128 20 0 BDADLO Cn1nccc1Nc1ccn2cc[nH+]c2c1 ZINC001204950925 967248754 /nfs/dbraw/zinc/24/87/54/967248754.db2.gz HTHBABNMXNJVOG-UHFFFAOYSA-N 1 2 213.244 1.811 20 0 BDADLO Cc1cc(N)n(-c2ccn3cc[nH+]c3c2)n1 ZINC001204950942 967249814 /nfs/dbraw/zinc/24/98/14/967249814.db2.gz IRQMOWBEGMTGBG-UHFFFAOYSA-N 1 2 213.244 1.411 20 0 BDADLO c1cn2ccc(Nc3cnns3)cc2[nH+]1 ZINC001204959871 967261414 /nfs/dbraw/zinc/26/14/14/967261414.db2.gz YPQRVEJZGZOHNZ-UHFFFAOYSA-N 1 2 217.257 1.929 20 0 BDADLO CCN(CC)C(=O)Cc1ccc2[nH+]ccn2c1 ZINC001250008568 967267568 /nfs/dbraw/zinc/26/75/68/967267568.db2.gz FSYUHUJPCGBSGG-UHFFFAOYSA-N 1 2 231.299 1.745 20 0 BDADLO O=c1[nH]cncc1Nc1ccn2cc[nH+]c2c1 ZINC001204965817 967268333 /nfs/dbraw/zinc/26/83/33/967268333.db2.gz GYZKJRDBYPLVCL-UHFFFAOYSA-N 1 2 227.227 1.574 20 0 BDADLO CCN(CC)C(=O)Cc1cc[nH+]c(NC)c1 ZINC001250012527 967271919 /nfs/dbraw/zinc/27/19/19/967271919.db2.gz MKANVWFSQSTVAK-UHFFFAOYSA-N 1 2 221.304 1.534 20 0 BDADLO CCOc1cc(C[N@H+](C)C2(C)COC2)ccn1 ZINC001250014126 967273881 /nfs/dbraw/zinc/27/38/81/967273881.db2.gz DEUXZDDXEVLQDI-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cc(C[N@@H+](C)C2(C)COC2)ccn1 ZINC001250014126 967273885 /nfs/dbraw/zinc/27/38/85/967273885.db2.gz DEUXZDDXEVLQDI-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COCC[NH+](CCOC)Cc1ncccc1F ZINC001205052500 967307981 /nfs/dbraw/zinc/30/79/81/967307981.db2.gz JRBXCPOWYPSDIS-UHFFFAOYSA-N 1 2 242.294 1.316 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001205137885 967382793 /nfs/dbraw/zinc/38/27/93/967382793.db2.gz CJPGYYUVNKVOOZ-SECBINFHSA-N 1 2 229.274 1.897 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001205137885 967382812 /nfs/dbraw/zinc/38/28/12/967382812.db2.gz CJPGYYUVNKVOOZ-SECBINFHSA-N 1 2 229.274 1.897 20 0 BDADLO c1nn(CC[NH+]2CCOCC2)cc1CC1CCC1 ZINC001250140692 967429394 /nfs/dbraw/zinc/42/93/94/967429394.db2.gz BAJJRUSYGLNLBO-UHFFFAOYSA-N 1 2 249.358 1.558 20 0 BDADLO NC(=O)C1C[NH+](Cc2sccc2Cl)C1 ZINC001205340021 967557198 /nfs/dbraw/zinc/55/71/98/967557198.db2.gz YFFYGDJBFRBMMN-UHFFFAOYSA-N 1 2 230.720 1.319 20 0 BDADLO CC(=O)c1cccc(CC[NH+]2CCOCC2)c1 ZINC001250274431 967598109 /nfs/dbraw/zinc/59/81/09/967598109.db2.gz IYZLFIZUTCXUQD-UHFFFAOYSA-N 1 2 233.311 1.764 20 0 BDADLO OC1C[NH+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168718289 967624304 /nfs/dbraw/zinc/62/43/04/967624304.db2.gz NZEVGKNJZJXHDC-SECBINFHSA-N 1 2 223.703 1.484 20 0 BDADLO COCCCc1c[nH+]c2c(c1)OCCN2C ZINC001250303754 967648608 /nfs/dbraw/zinc/64/86/08/967648608.db2.gz UCSJRVRMCCXIMD-UHFFFAOYSA-N 1 2 222.288 1.489 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)cn1 ZINC001205514233 967657006 /nfs/dbraw/zinc/65/70/06/967657006.db2.gz ZNVXNXVGVZFGHH-PWSUYJOCSA-N 1 2 241.310 1.055 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)cn1 ZINC001205514233 967657020 /nfs/dbraw/zinc/65/70/20/967657020.db2.gz ZNVXNXVGVZFGHH-PWSUYJOCSA-N 1 2 241.310 1.055 20 0 BDADLO COc1cc[nH+]c(Nc2cnn(C3COC3)c2)c1 ZINC001205537640 967666731 /nfs/dbraw/zinc/66/67/31/967666731.db2.gz QLNLMIQQNSNXMM-UHFFFAOYSA-N 1 2 246.270 1.602 20 0 BDADLO O=C1NCCc2cc(CCn3cc[nH+]c3)ccc21 ZINC001250319507 967693136 /nfs/dbraw/zinc/69/31/36/967693136.db2.gz SKOCDSDLTRMRMA-UHFFFAOYSA-N 1 2 241.294 1.412 20 0 BDADLO CN1CCOc2cc(CCn3cc[nH+]c3)ccc21 ZINC001250320069 967696006 /nfs/dbraw/zinc/69/60/06/967696006.db2.gz XKRCKKPYPHPDJZ-UHFFFAOYSA-N 1 2 243.310 1.954 20 0 BDADLO CNc1ccc(Nc2nonc2OC)c[nH+]1 ZINC001203448629 967714538 /nfs/dbraw/zinc/71/45/38/967714538.db2.gz CITLLNQUGAZZDG-UHFFFAOYSA-N 1 2 221.220 1.259 20 0 BDADLO Cc1nnc(Cc2c[nH+]c(C)c(N)c2)o1 ZINC001250338349 967717023 /nfs/dbraw/zinc/71/70/23/967717023.db2.gz FVIMMXUTQGYGMT-UHFFFAOYSA-N 1 2 204.233 1.254 20 0 BDADLO CNc1ccc(Cc2nnc(C)o2)c[nH+]1 ZINC001250337909 967725792 /nfs/dbraw/zinc/72/57/92/967725792.db2.gz AJVJBXDGQUUYFO-UHFFFAOYSA-N 1 2 204.233 1.406 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cnoc2)CCC1(F)F ZINC001205669796 967756904 /nfs/dbraw/zinc/75/69/04/967756904.db2.gz ADSOGBIPKAJAHN-VIFPVBQESA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cnoc2)CCC1(F)F ZINC001205669796 967756921 /nfs/dbraw/zinc/75/69/21/967756921.db2.gz ADSOGBIPKAJAHN-VIFPVBQESA-N 1 2 232.230 1.124 20 0 BDADLO Cc1cc(Cc2c[nH+]c(C)c(N)c2)on1 ZINC001250364788 967772672 /nfs/dbraw/zinc/77/26/72/967772672.db2.gz UJMCGODIFRTCST-UHFFFAOYSA-N 1 2 203.245 1.859 20 0 BDADLO CN1CC[N@H+](Cc2cnoc2)Cc2cccnc21 ZINC001205689269 967779294 /nfs/dbraw/zinc/77/92/94/967779294.db2.gz MBHCIYTUZUTIST-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO CN1CC[N@@H+](Cc2cnoc2)Cc2cccnc21 ZINC001205689269 967779302 /nfs/dbraw/zinc/77/93/02/967779302.db2.gz MBHCIYTUZUTIST-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO O=C(Cc1ccc(-c2[nH]cc[nH+]2)cc1)NC1CC1 ZINC001250381940 967802583 /nfs/dbraw/zinc/80/25/83/967802583.db2.gz NFIABKFRKRYTOX-UHFFFAOYSA-N 1 2 241.294 1.898 20 0 BDADLO Cc1cccnc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001205800501 967827150 /nfs/dbraw/zinc/82/71/50/967827150.db2.gz WRMXZVLSDXFUHT-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1cccnc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001205800501 967827152 /nfs/dbraw/zinc/82/71/52/967827152.db2.gz WRMXZVLSDXFUHT-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1cccnc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001205800501 967827156 /nfs/dbraw/zinc/82/71/56/967827156.db2.gz WRMXZVLSDXFUHT-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1cc(C[NH+]2CC(C(F)F)C2)n(C)n1 ZINC001205935883 967891397 /nfs/dbraw/zinc/89/13/97/967891397.db2.gz VNUJXJGALHDOOV-UHFFFAOYSA-N 1 2 215.247 1.425 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711198669 967998250 /nfs/dbraw/zinc/99/82/50/967998250.db2.gz KMFJYYBIZFGIKI-ILWJIGKKSA-N 1 2 206.293 1.473 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711198669 967998279 /nfs/dbraw/zinc/99/82/79/967998279.db2.gz KMFJYYBIZFGIKI-ILWJIGKKSA-N 1 2 206.293 1.473 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccccc1O ZINC001206188990 968118601 /nfs/dbraw/zinc/11/86/01/968118601.db2.gz UXATXBILGJPYQT-UHFFFAOYSA-N 1 2 247.254 1.337 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC3(CN(C)C3)C2)s1 ZINC001206198791 968126408 /nfs/dbraw/zinc/12/64/08/968126408.db2.gz IVBKJRASIGNLRH-UHFFFAOYSA-N 1 2 237.372 1.507 20 0 BDADLO Cn1cnc(C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001206206972 968134018 /nfs/dbraw/zinc/13/40/18/968134018.db2.gz KQAMRHFCRMUDSZ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cnc(C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001206206972 968134022 /nfs/dbraw/zinc/13/40/22/968134022.db2.gz KQAMRHFCRMUDSZ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C)CCCC1=O ZINC001206322901 968228935 /nfs/dbraw/zinc/22/89/35/968228935.db2.gz UXKZNFYBFBITEE-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C)CCCC1=O ZINC001206322901 968228940 /nfs/dbraw/zinc/22/89/40/968228940.db2.gz UXKZNFYBFBITEE-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC001250973357 968234658 /nfs/dbraw/zinc/23/46/58/968234658.db2.gz WQEZOEABLDVJSX-BDAKNGLRSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC001250973357 968234665 /nfs/dbraw/zinc/23/46/65/968234665.db2.gz WQEZOEABLDVJSX-BDAKNGLRSA-N 1 2 241.253 1.266 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@@H](O)COc1ccccc1 ZINC001251163750 968273152 /nfs/dbraw/zinc/27/31/52/968273152.db2.gz BXQLKLBRUBMUBV-LLVKDONJSA-N 1 2 247.298 1.570 20 0 BDADLO CC[C@@H](O)C[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001251774020 968319730 /nfs/dbraw/zinc/31/97/30/968319730.db2.gz GDAGVAFJCKSUJM-LLVKDONJSA-N 1 2 249.310 1.560 20 0 BDADLO CC[C@@H](O)C[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001251774020 968319738 /nfs/dbraw/zinc/31/97/38/968319738.db2.gz GDAGVAFJCKSUJM-LLVKDONJSA-N 1 2 249.310 1.560 20 0 BDADLO COc1cnccc1C[N@@H+]1CCCCC12COC2 ZINC001206473745 968329316 /nfs/dbraw/zinc/32/93/16/968329316.db2.gz ZVEOXZAAQPIXEY-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cnccc1C[N@H+]1CCCCC12COC2 ZINC001206473745 968329325 /nfs/dbraw/zinc/32/93/25/968329325.db2.gz ZVEOXZAAQPIXEY-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2ccc(F)cc2)o1 ZINC001251876064 968370747 /nfs/dbraw/zinc/37/07/47/968370747.db2.gz XIODJOKORVHCKD-UHFFFAOYSA-N 1 2 235.262 1.861 20 0 BDADLO OCCn1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001206570788 968391072 /nfs/dbraw/zinc/39/10/72/968391072.db2.gz JXGVTQYSRCCIEF-UHFFFAOYSA-N 1 2 228.255 1.190 20 0 BDADLO C[C@H](O)C[NH2+]C1(c2ccccc2Cl)COC1 ZINC001251973392 968415059 /nfs/dbraw/zinc/41/50/59/968415059.db2.gz CSDQOAGCCHXFTI-VIFPVBQESA-N 1 2 241.718 1.536 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@@H](O)c1ccccc1 ZINC001251980275 968424315 /nfs/dbraw/zinc/42/43/15/968424315.db2.gz OVNJRRFSIKIFLJ-LLVKDONJSA-N 1 2 217.272 1.864 20 0 BDADLO COc1cc(N)n(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001206722714 968439583 /nfs/dbraw/zinc/43/95/83/968439583.db2.gz HOZFYFXMFFDQLT-UHFFFAOYSA-N 1 2 247.302 1.233 20 0 BDADLO CNc1ccc(Nc2onc(C)c2C(N)=O)c[nH+]1 ZINC001203449047 968441084 /nfs/dbraw/zinc/44/10/84/968441084.db2.gz XIIFFWOZACDITM-UHFFFAOYSA-N 1 2 247.258 1.262 20 0 BDADLO Cc1[nH+]cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)n1C ZINC001206793311 968477753 /nfs/dbraw/zinc/47/77/53/968477753.db2.gz WHVPIJCUPMMDQT-PHIMTYICSA-N 1 2 233.315 1.424 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(C)ccn2)C[C@@H]1F ZINC001206847609 968496404 /nfs/dbraw/zinc/49/64/04/968496404.db2.gz PKRGCYUSZMIWGV-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(C)ccn2)C[C@@H]1F ZINC001206847609 968496409 /nfs/dbraw/zinc/49/64/09/968496409.db2.gz PKRGCYUSZMIWGV-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc(C3CC3)nn2)C1 ZINC001231028792 968511039 /nfs/dbraw/zinc/51/10/39/968511039.db2.gz VPTSANODAUXHPE-NSHDSACASA-N 1 2 249.314 1.063 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc(C3CC3)nn2)C1 ZINC001231028792 968511053 /nfs/dbraw/zinc/51/10/53/968511053.db2.gz VPTSANODAUXHPE-NSHDSACASA-N 1 2 249.314 1.063 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822522251 968521560 /nfs/dbraw/zinc/52/15/60/968521560.db2.gz HCIKPPGXNCXGTQ-MTCWXPTMSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2c(cnn2C)C1 ZINC001206992246 968528258 /nfs/dbraw/zinc/52/82/58/968528258.db2.gz WFKARKSEOGHYCS-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2c(cnn2C)C1 ZINC001206992246 968528264 /nfs/dbraw/zinc/52/82/64/968528264.db2.gz WFKARKSEOGHYCS-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1ccc[nH]c1=O ZINC001207006207 968543398 /nfs/dbraw/zinc/54/33/98/968543398.db2.gz CMIZYASHTLWHCM-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1ccc[nH]c1=O ZINC001207006207 968543403 /nfs/dbraw/zinc/54/34/03/968543403.db2.gz CMIZYASHTLWHCM-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)C[C@H](C)O1 ZINC001207064104 968594062 /nfs/dbraw/zinc/59/40/62/968594062.db2.gz KXZQZCXDVKCVHA-AOOOYVTPSA-N 1 2 222.288 1.396 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)C[C@H](C)O1 ZINC001207064104 968594067 /nfs/dbraw/zinc/59/40/67/968594067.db2.gz KXZQZCXDVKCVHA-AOOOYVTPSA-N 1 2 222.288 1.396 20 0 BDADLO CCc1nccc(C[N@@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001207081929 968614696 /nfs/dbraw/zinc/61/46/96/968614696.db2.gz ADFBZTOKGDEBAE-NXEZZACHSA-N 1 2 223.295 1.971 20 0 BDADLO CCc1nccc(C[N@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001207081929 968614699 /nfs/dbraw/zinc/61/46/99/968614699.db2.gz ADFBZTOKGDEBAE-NXEZZACHSA-N 1 2 223.295 1.971 20 0 BDADLO COCCOc1cc(NCC(C)(C)O)cc[nH+]1 ZINC001252350622 968623652 /nfs/dbraw/zinc/62/36/52/968623652.db2.gz JZVDOBRSAKBKJO-UHFFFAOYSA-N 1 2 240.303 1.290 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207097190 968628131 /nfs/dbraw/zinc/62/81/31/968628131.db2.gz MLVZVEFJXMBTOQ-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207097190 968628135 /nfs/dbraw/zinc/62/81/35/968628135.db2.gz MLVZVEFJXMBTOQ-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001207133516 968643303 /nfs/dbraw/zinc/64/33/03/968643303.db2.gz QHBXAGXTCQSNBM-WDEREUQCSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001207133516 968643310 /nfs/dbraw/zinc/64/33/10/968643310.db2.gz QHBXAGXTCQSNBM-WDEREUQCSA-N 1 2 242.294 1.444 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001207141519 968652197 /nfs/dbraw/zinc/65/21/97/968652197.db2.gz MEQICMXUFLVTJE-GHMZBOCLSA-N 1 2 221.304 1.266 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1F ZINC001207154480 968665056 /nfs/dbraw/zinc/66/50/56/968665056.db2.gz ZIIXROFTLKXSGU-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1F ZINC001207154480 968665063 /nfs/dbraw/zinc/66/50/63/968665063.db2.gz ZIIXROFTLKXSGU-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1ncc(CNc2cc(N(C)C)nc[nH+]2)s1 ZINC001154792679 968667909 /nfs/dbraw/zinc/66/79/09/968667909.db2.gz TZCUUTBMWRSXKV-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1ncc(CNc2cc(N(C)C)[nH+]cn2)s1 ZINC001154792679 968667918 /nfs/dbraw/zinc/66/79/18/968667918.db2.gz TZCUUTBMWRSXKV-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001207163155 968669770 /nfs/dbraw/zinc/66/97/70/968669770.db2.gz OPGISVRTMUHUCI-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001207163155 968669776 /nfs/dbraw/zinc/66/97/76/968669776.db2.gz OPGISVRTMUHUCI-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001207162027 968671027 /nfs/dbraw/zinc/67/10/27/968671027.db2.gz PCVZHQNBSRMAEL-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001207162027 968671030 /nfs/dbraw/zinc/67/10/30/968671030.db2.gz PCVZHQNBSRMAEL-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO c1ccc(COCC[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001207237795 968686100 /nfs/dbraw/zinc/68/61/00/968686100.db2.gz RJEMKYCALOZAMN-UONOGXRCSA-N 1 2 233.311 1.676 20 0 BDADLO c1ccc(COCC[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001207237795 968686106 /nfs/dbraw/zinc/68/61/06/968686106.db2.gz RJEMKYCALOZAMN-UONOGXRCSA-N 1 2 233.311 1.676 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001207416911 968762305 /nfs/dbraw/zinc/76/23/05/968762305.db2.gz SMKDLGRYAZRVKG-UHFFFAOYSA-N 1 2 249.314 1.219 20 0 BDADLO COc1cccc(CC[NH+]2CC3(CCO3)C2)c1 ZINC001207432103 968771218 /nfs/dbraw/zinc/77/12/18/968771218.db2.gz WTKPONPYOZSZAV-UHFFFAOYSA-N 1 2 233.311 1.712 20 0 BDADLO O=C1CCC[N@@H+](C[C@H]2CCCOC2)C[C@@H]1F ZINC001207460723 968785351 /nfs/dbraw/zinc/78/53/51/968785351.db2.gz GWXQYXBKYSULNJ-MNOVXSKESA-N 1 2 229.295 1.416 20 0 BDADLO O=C1CCC[N@H+](C[C@H]2CCCOC2)C[C@@H]1F ZINC001207460723 968785353 /nfs/dbraw/zinc/78/53/53/968785353.db2.gz GWXQYXBKYSULNJ-MNOVXSKESA-N 1 2 229.295 1.416 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CCNC(=O)C1 ZINC001154935101 968787216 /nfs/dbraw/zinc/78/72/16/968787216.db2.gz LLRNGGBGKORDFT-VIFPVBQESA-N 1 2 235.287 1.028 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1ccc(F)cc1 ZINC001207513572 968811468 /nfs/dbraw/zinc/81/14/68/968811468.db2.gz NWTZEVQHLRDMNU-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccc(F)cc1 ZINC001207513572 968811471 /nfs/dbraw/zinc/81/14/71/968811471.db2.gz NWTZEVQHLRDMNU-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO F[C@H]1CCN(C2C[NH+](Cc3cccs3)C2)C1 ZINC001204015743 968815043 /nfs/dbraw/zinc/81/50/43/968815043.db2.gz KXPUEKNRBULJMH-JTQLQIEISA-N 1 2 240.347 1.976 20 0 BDADLO O=C1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1F ZINC001207630799 968848305 /nfs/dbraw/zinc/84/83/05/968848305.db2.gz YNFRPHUNMINJSJ-QCNOEVLYSA-N 1 2 223.291 1.812 20 0 BDADLO O=C1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1F ZINC001207630799 968848308 /nfs/dbraw/zinc/84/83/08/968848308.db2.gz YNFRPHUNMINJSJ-QCNOEVLYSA-N 1 2 223.291 1.812 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)COC(C)C ZINC001252667173 968901364 /nfs/dbraw/zinc/90/13/64/968901364.db2.gz NMCMXYUQSLRKRO-JTQLQIEISA-N 1 2 240.303 1.288 20 0 BDADLO c1ccc(OC2C[NH+](C[C@H]3CCCO3)C2)cc1 ZINC001207860784 968908359 /nfs/dbraw/zinc/90/83/59/968908359.db2.gz HJJOENQPRUYRNK-CYBMUJFWSA-N 1 2 233.311 1.929 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CC(=O)N[C@H](C)C2)o1 ZINC001207944255 968942435 /nfs/dbraw/zinc/94/24/35/968942435.db2.gz OLLFEMJWNDDMIB-SNVBAGLBSA-N 1 2 236.315 1.341 20 0 BDADLO Cc1ccc(CCC[N@H+]2CC(=O)N[C@H](C)C2)o1 ZINC001207944255 968942440 /nfs/dbraw/zinc/94/24/40/968942440.db2.gz OLLFEMJWNDDMIB-SNVBAGLBSA-N 1 2 236.315 1.341 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001252778412 968951422 /nfs/dbraw/zinc/95/14/22/968951422.db2.gz KMTDVYBZDCQTDZ-VHSXEESVSA-N 1 2 237.290 1.239 20 0 BDADLO Cc1cc[nH]c(=NNC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC000088423022 968967822 /nfs/dbraw/zinc/96/78/22/968967822.db2.gz RYUCDYPSSVWSKZ-SNVBAGLBSA-N 1 2 245.286 1.291 20 0 BDADLO CC1=C[C@@H](C)[C@H](C[NH+]2CC(F)(CO)C2)CC1 ZINC001208163016 969092398 /nfs/dbraw/zinc/09/23/98/969092398.db2.gz UAUMFHMAGZWIOM-NEPJUHHUSA-N 1 2 227.323 1.995 20 0 BDADLO CC1(O)C[NH+](CCc2cccc(F)c2)C1 ZINC001208196315 969127317 /nfs/dbraw/zinc/12/73/17/969127317.db2.gz OZASMVAPWVEUJK-UHFFFAOYSA-N 1 2 209.264 1.435 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc[nH]1 ZINC000190588383 969153436 /nfs/dbraw/zinc/15/34/36/969153436.db2.gz MKGWVCACBXELMZ-JTQLQIEISA-N 1 2 208.261 1.152 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc[nH]1 ZINC000190588383 969153442 /nfs/dbraw/zinc/15/34/42/969153442.db2.gz MKGWVCACBXELMZ-JTQLQIEISA-N 1 2 208.261 1.152 20 0 BDADLO Cc1nc(N[C@@H](C)CNC(=O)C2(C)CC2)cc[nH+]1 ZINC001098326395 969154124 /nfs/dbraw/zinc/15/41/24/969154124.db2.gz VPTIADIMQTVLPP-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO CS(=O)(=O)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242018220 969172565 /nfs/dbraw/zinc/17/25/65/969172565.db2.gz ACAGTFXEBSZXJO-UHFFFAOYSA-N 1 2 238.268 1.415 20 0 BDADLO CCCCC[C@H](O)CN1CC[NH+](C)CC1 ZINC001253520197 969197949 /nfs/dbraw/zinc/19/79/49/969197949.db2.gz UOEXCMZKMSTXCI-LBPRGKRZSA-N 1 2 214.353 1.175 20 0 BDADLO CCCCC[C@H](O)C[N@@H+]1CC[C@H]1C(=O)OC ZINC001253525740 969203064 /nfs/dbraw/zinc/20/30/64/969203064.db2.gz QPYZBCBGTMFBSH-QWRGUYRKSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCC[C@H](O)C[N@H+]1CC[C@H]1C(=O)OC ZINC001253525740 969203069 /nfs/dbraw/zinc/20/30/69/969203069.db2.gz QPYZBCBGTMFBSH-QWRGUYRKSA-N 1 2 229.320 1.175 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)c1ccccc1 ZINC001208723885 969208464 /nfs/dbraw/zinc/20/84/64/969208464.db2.gz UNCHUTQTUIBKSM-NSHDSACASA-N 1 2 249.310 1.610 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001208723885 969208470 /nfs/dbraw/zinc/20/84/70/969208470.db2.gz UNCHUTQTUIBKSM-NSHDSACASA-N 1 2 249.310 1.610 20 0 BDADLO CCCCC[C@@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001253557660 969230123 /nfs/dbraw/zinc/23/01/23/969230123.db2.gz NIWGLGWHGRLHII-VXGBXAGGSA-N 1 2 245.363 1.859 20 0 BDADLO CCCCC[C@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001253557659 969231113 /nfs/dbraw/zinc/23/11/13/969231113.db2.gz NIWGLGWHGRLHII-RYUDHWBXSA-N 1 2 245.363 1.859 20 0 BDADLO NC(=O)CCNc1cc(-c2ccncc2)cc[nH+]1 ZINC001168954820 969305309 /nfs/dbraw/zinc/30/53/09/969305309.db2.gz QNXMQDVXKGKXSA-UHFFFAOYSA-N 1 2 242.282 1.431 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+]1CCn2nccc2C1 ZINC001208922803 969307860 /nfs/dbraw/zinc/30/78/60/969307860.db2.gz PJZWNIAEYHBVGD-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+]1CCn2nccc2C1 ZINC001208922803 969307864 /nfs/dbraw/zinc/30/78/64/969307864.db2.gz PJZWNIAEYHBVGD-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO CC(=O)N1CCC[C@@H](C[NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001208953360 969313070 /nfs/dbraw/zinc/31/30/70/969313070.db2.gz DFZGXSUYMDBERK-QJPTWQEYSA-N 1 2 246.301 1.237 20 0 BDADLO COCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209048370 969335444 /nfs/dbraw/zinc/33/54/44/969335444.db2.gz GGESWHHQQHCXGN-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO COCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209048370 969335450 /nfs/dbraw/zinc/33/54/50/969335450.db2.gz GGESWHHQQHCXGN-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cc(F)cc(F)c1 ZINC001209133802 969354049 /nfs/dbraw/zinc/35/40/49/969354049.db2.gz VCRGUMOUFSRWFW-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cc(F)cc(F)c1 ZINC001209133802 969354055 /nfs/dbraw/zinc/35/40/55/969354055.db2.gz VCRGUMOUFSRWFW-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001253758459 969378793 /nfs/dbraw/zinc/37/87/93/969378793.db2.gz YTQIXTCDCHQVCI-NXEZZACHSA-N 1 2 239.281 1.930 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001253758459 969378799 /nfs/dbraw/zinc/37/87/99/969378799.db2.gz YTQIXTCDCHQVCI-NXEZZACHSA-N 1 2 239.281 1.930 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)C(C)C ZINC001253778213 969399287 /nfs/dbraw/zinc/39/92/87/969399287.db2.gz JAPMJZUYQKPLTK-RYUDHWBXSA-N 1 2 245.363 1.571 20 0 BDADLO Cc1cn(C)nc1CNc1cccc[nH+]1 ZINC000723520358 969436373 /nfs/dbraw/zinc/43/63/73/969436373.db2.gz XAYRQNXVZOBCPN-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO C=Cc1ccccc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169129652 969438987 /nfs/dbraw/zinc/43/89/87/969438987.db2.gz BSPQSIAWHMKDPS-YPMHNXCESA-N 1 2 246.310 1.645 20 0 BDADLO c1ccc(N2CC(c3nnc(C4CC4)o3)C2)[nH+]c1 ZINC001254065456 969470300 /nfs/dbraw/zinc/47/03/00/969470300.db2.gz XNCHXYAOKSUUGQ-UHFFFAOYSA-N 1 2 242.282 1.946 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001209555252 969542286 /nfs/dbraw/zinc/54/22/86/969542286.db2.gz XTIMFVLHDPZBLI-GHMZBOCLSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001209555252 969542291 /nfs/dbraw/zinc/54/22/91/969542291.db2.gz XTIMFVLHDPZBLI-GHMZBOCLSA-N 1 2 227.283 1.013 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)no1 ZINC001209569006 969549868 /nfs/dbraw/zinc/54/98/68/969549868.db2.gz BQLGDKYGKLYCKB-LLVKDONJSA-N 1 2 246.270 1.118 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)no1 ZINC001209569006 969549874 /nfs/dbraw/zinc/54/98/74/969549874.db2.gz BQLGDKYGKLYCKB-LLVKDONJSA-N 1 2 246.270 1.118 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)no1 ZINC001209570401 969552627 /nfs/dbraw/zinc/55/26/27/969552627.db2.gz USIMMRVDDQOWCI-NSHDSACASA-N 1 2 246.270 1.118 20 0 BDADLO c1cc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)no1 ZINC001209570401 969552631 /nfs/dbraw/zinc/55/26/31/969552631.db2.gz USIMMRVDDQOWCI-NSHDSACASA-N 1 2 246.270 1.118 20 0 BDADLO COc1cc(C[N@H+](C)C2(C)COC2)ccn1 ZINC001209640918 969568343 /nfs/dbraw/zinc/56/83/43/969568343.db2.gz PIVSZXPTCOUEBJ-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cc(C[N@@H+](C)C2(C)COC2)ccn1 ZINC001209640918 969568348 /nfs/dbraw/zinc/56/83/48/969568348.db2.gz PIVSZXPTCOUEBJ-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO Nc1cc[nH+]cc1CN1CCC[C@@]2(CCO2)C1 ZINC001209729921 969590542 /nfs/dbraw/zinc/59/05/42/969590542.db2.gz BEAJDADNLNNZTH-CYBMUJFWSA-N 1 2 233.315 1.249 20 0 BDADLO Nc1ccncc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001209729921 969590547 /nfs/dbraw/zinc/59/05/47/969590547.db2.gz BEAJDADNLNNZTH-CYBMUJFWSA-N 1 2 233.315 1.249 20 0 BDADLO Nc1ccncc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001209729921 969590553 /nfs/dbraw/zinc/59/05/53/969590553.db2.gz BEAJDADNLNNZTH-CYBMUJFWSA-N 1 2 233.315 1.249 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c2cccnc21 ZINC001209750433 969601734 /nfs/dbraw/zinc/60/17/34/969601734.db2.gz IRDUQGPPHLMCGF-OLZOCXBDSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@H]3C[C@H]32)c2cccnc21 ZINC001209750433 969601741 /nfs/dbraw/zinc/60/17/41/969601741.db2.gz IRDUQGPPHLMCGF-OLZOCXBDSA-N 1 2 243.310 1.546 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+]([C@@H]1CCCOC1)C2 ZINC001254386643 969602250 /nfs/dbraw/zinc/60/22/50/969602250.db2.gz BRHBIEVGHSTGPN-SNVBAGLBSA-N 1 2 222.288 1.520 20 0 BDADLO Cc1nc2c(o1)CC[N@H+]([C@@H]1CCCOC1)C2 ZINC001254386643 969602258 /nfs/dbraw/zinc/60/22/58/969602258.db2.gz BRHBIEVGHSTGPN-SNVBAGLBSA-N 1 2 222.288 1.520 20 0 BDADLO O[C@@H](CNc1cc2cc[nH]c2c[nH+]1)C(F)(F)F ZINC001169456604 969644945 /nfs/dbraw/zinc/64/49/45/969644945.db2.gz JCZCGWHGRHWWFO-QMMMGPOBSA-N 1 2 245.204 1.898 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cnc2cc[nH]c2c1 ZINC001169654447 969799385 /nfs/dbraw/zinc/79/93/85/969799385.db2.gz RYQZKQHQZQHTTP-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cnc2cc[nH]c2c1 ZINC001169654447 969799389 /nfs/dbraw/zinc/79/93/89/969799389.db2.gz RYQZKQHQZQHTTP-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO O=C1SCC[C@@H]1[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254839614 969801742 /nfs/dbraw/zinc/80/17/42/969801742.db2.gz UOMJKSINIQUDKM-QWRGUYRKSA-N 1 2 240.372 1.092 20 0 BDADLO CC(C)c1cccc(NC[C@H]2COCC[N@@H+]2C)n1 ZINC001169654216 969801708 /nfs/dbraw/zinc/80/17/08/969801708.db2.gz PBTMYKFSGOEDJB-LBPRGKRZSA-N 1 2 249.358 1.948 20 0 BDADLO CC(C)c1cccc(NC[C@H]2COCC[N@H+]2C)n1 ZINC001169654216 969801709 /nfs/dbraw/zinc/80/17/09/969801709.db2.gz PBTMYKFSGOEDJB-LBPRGKRZSA-N 1 2 249.358 1.948 20 0 BDADLO Cc1ncccc1NC[C@@H]1COCC[N@H+]1C ZINC001169658426 969803564 /nfs/dbraw/zinc/80/35/64/969803564.db2.gz WHZRUTDDJOWDSI-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ncccc1NC[C@@H]1COCC[N@@H+]1C ZINC001169658426 969803567 /nfs/dbraw/zinc/80/35/67/969803567.db2.gz WHZRUTDDJOWDSI-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO C=CC(=O)NCCNc1c[nH+]c(C)c(C)c1 ZINC001169804703 969851405 /nfs/dbraw/zinc/85/14/05/969851405.db2.gz NKCQIYXUSQDCPH-UHFFFAOYSA-N 1 2 219.288 1.413 20 0 BDADLO Cc1[nH+]cc(Nc2cc(=O)[nH]c(=S)[nH]2)cc1N ZINC001210286924 969853264 /nfs/dbraw/zinc/85/32/64/969853264.db2.gz GYOQLNIPZRRZMW-UHFFFAOYSA-N 1 2 249.299 1.500 20 0 BDADLO Cc1[nH+]cc(Nc2cnccc2C(N)=O)cc1N ZINC001210287191 969853977 /nfs/dbraw/zinc/85/39/77/969853977.db2.gz NQILEUMQHSQUJV-UHFFFAOYSA-N 1 2 243.270 1.210 20 0 BDADLO Cc1[nH+]cc(Nc2ncc(F)cc2O)cc1N ZINC001210287301 969854402 /nfs/dbraw/zinc/85/44/02/969854402.db2.gz QIPHEQFDDUSPSM-UHFFFAOYSA-N 1 2 234.234 1.956 20 0 BDADLO O=C1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255027110 969854406 /nfs/dbraw/zinc/85/44/06/969854406.db2.gz HCNOHMGGWWRITO-UHFFFAOYSA-N 1 2 215.296 1.819 20 0 BDADLO O=C1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC001255027110 969854413 /nfs/dbraw/zinc/85/44/13/969854413.db2.gz HCNOHMGGWWRITO-UHFFFAOYSA-N 1 2 215.296 1.819 20 0 BDADLO OC[C@@H]1C[N@H+](C2CCOCC2)CC(F)(F)C1 ZINC001255038173 969858874 /nfs/dbraw/zinc/85/88/74/969858874.db2.gz FBYNEVLYFHOICR-VIFPVBQESA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@@H]1C[N@@H+](C2CCOCC2)CC(F)(F)C1 ZINC001255038173 969858872 /nfs/dbraw/zinc/85/88/72/969858872.db2.gz FBYNEVLYFHOICR-VIFPVBQESA-N 1 2 235.274 1.115 20 0 BDADLO CS(=O)(=O)C1CCC([N@@H+]2CC[C@@H](F)C2)CC1 ZINC001169877096 969872740 /nfs/dbraw/zinc/87/27/40/969872740.db2.gz VRVNXNGMVNOFBP-KPPDAEKUSA-N 1 2 249.351 1.386 20 0 BDADLO CS(=O)(=O)C1CCC([N@H+]2CC[C@@H](F)C2)CC1 ZINC001169877096 969872746 /nfs/dbraw/zinc/87/27/46/969872746.db2.gz VRVNXNGMVNOFBP-KPPDAEKUSA-N 1 2 249.351 1.386 20 0 BDADLO Nc1cc(CNc2ccnc3ccnn32)cc[nH+]1 ZINC001156755672 969993995 /nfs/dbraw/zinc/99/39/95/969993995.db2.gz HLBPJJJNPHZMAP-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO OC[C@H](c1nnc(C2CCC2)o1)n1cc[nH+]c1 ZINC001255182458 970000608 /nfs/dbraw/zinc/00/06/08/970000608.db2.gz NABVVFVPCMQCPD-SECBINFHSA-N 1 2 234.259 1.115 20 0 BDADLO Cc1cc[nH]c(=O)c1C(=O)OCCn1cc[nH+]c1 ZINC001255234990 970011954 /nfs/dbraw/zinc/01/19/54/970011954.db2.gz VTNWNSAEBRXEPM-UHFFFAOYSA-N 1 2 247.254 1.149 20 0 BDADLO CCCC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001255320020 970092073 /nfs/dbraw/zinc/09/20/73/970092073.db2.gz NMHJLFUIBCKEKM-JQWIXIFHSA-N 1 2 229.320 1.487 20 0 BDADLO C[N@@H+]1CC[C@H](N[C@@H](CO)c2ccc(F)cc2)C1 ZINC001255411923 970132318 /nfs/dbraw/zinc/13/23/18/970132318.db2.gz DOQITSBGFZVAAE-STQMWFEESA-N 1 2 238.306 1.153 20 0 BDADLO C[N@H+]1CC[C@H](N[C@@H](CO)c2ccc(F)cc2)C1 ZINC001255411923 970132320 /nfs/dbraw/zinc/13/23/20/970132320.db2.gz DOQITSBGFZVAAE-STQMWFEESA-N 1 2 238.306 1.153 20 0 BDADLO COc1c[nH+]ccc1-n1c(N)csc1=N ZINC001211257128 970205697 /nfs/dbraw/zinc/20/56/97/970205697.db2.gz HSVVOZOKBJOPHR-UHFFFAOYSA-N 1 2 222.273 1.004 20 0 BDADLO C[C@@H](N[C@@H]1CCC[N@H+](C)C1)c1ccno1 ZINC001255480606 970218253 /nfs/dbraw/zinc/21/82/53/970218253.db2.gz YLVVJFTWSFVZQG-NXEZZACHSA-N 1 2 209.293 1.419 20 0 BDADLO C[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccno1 ZINC001255480606 970218266 /nfs/dbraw/zinc/21/82/66/970218266.db2.gz YLVVJFTWSFVZQG-NXEZZACHSA-N 1 2 209.293 1.419 20 0 BDADLO Nc1cccc(CN2CC[NH2+]CC(F)(F)C2)c1 ZINC001211347345 970240181 /nfs/dbraw/zinc/24/01/81/970240181.db2.gz OZXVWJXBFGOOOK-UHFFFAOYSA-N 1 2 241.285 1.309 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOC[C@H]2C)c1C ZINC000091810305 970267361 /nfs/dbraw/zinc/26/73/61/970267361.db2.gz QMHJJFRXYGBXFT-SNVBAGLBSA-N 1 2 237.347 1.741 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOC[C@H]2C)c1C ZINC000091810305 970267372 /nfs/dbraw/zinc/26/73/72/970267372.db2.gz QMHJJFRXYGBXFT-SNVBAGLBSA-N 1 2 237.347 1.741 20 0 BDADLO CC(=O)c1nn(-c2c[nH+]c(C)cc2C)cc1N ZINC001213511046 970330467 /nfs/dbraw/zinc/33/04/67/970330467.db2.gz SVUBIQFYYIXXJK-UHFFFAOYSA-N 1 2 230.271 1.669 20 0 BDADLO Cc1cc(C)c(Nc2ncnn3cccc23)c[nH+]1 ZINC001213505421 970333852 /nfs/dbraw/zinc/33/38/52/970333852.db2.gz DVXILSHZQXXKGX-UHFFFAOYSA-N 1 2 239.282 1.907 20 0 BDADLO Cc1c[nH+]cc(Nc2cnccc2C(N)=O)c1C ZINC001213524666 970345587 /nfs/dbraw/zinc/34/55/87/970345587.db2.gz CBGFVSAEXQKKLU-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO COC[C@H](C)[NH+]1CC(Oc2cccnc2)C1 ZINC001255575610 970368878 /nfs/dbraw/zinc/36/88/78/970368878.db2.gz BMJLYLSLOYZHCD-JTQLQIEISA-N 1 2 222.288 1.180 20 0 BDADLO FC(F)(F)CN1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000179844075 970520148 /nfs/dbraw/zinc/52/01/48/970520148.db2.gz OECJJIPRTIPHFC-UHFFFAOYSA-N 1 2 247.264 1.695 20 0 BDADLO Cc1ccc(-c2noc([C@@]3([NH3+])CCOC3)n2)nc1 ZINC000401186336 970665961 /nfs/dbraw/zinc/66/59/61/970665961.db2.gz MBYCJAUPLKVKRB-GFCCVEGCSA-N 1 2 246.270 1.014 20 0 BDADLO COc1cccc(C[C@H](C)[N@@H+]2CCNC(=O)C2)c1 ZINC001256155339 970672613 /nfs/dbraw/zinc/67/26/13/970672613.db2.gz FRVZNQDZRZKAMV-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(C[C@H](C)[N@H+]2CCNC(=O)C2)c1 ZINC001256155339 970672617 /nfs/dbraw/zinc/67/26/17/970672617.db2.gz FRVZNQDZRZKAMV-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO Cc1noc(C)c1NC(=O)CCc1c[nH+]cn1C ZINC001256332715 970741016 /nfs/dbraw/zinc/74/10/16/970741016.db2.gz UTIKBMDBRFMFFH-UHFFFAOYSA-N 1 2 248.286 1.596 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001144108547 972578186 /nfs/dbraw/zinc/57/81/86/972578186.db2.gz YJGYSICCZIVWCF-WCQYABFASA-N 1 2 239.290 1.605 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001144108547 972578203 /nfs/dbraw/zinc/57/82/03/972578203.db2.gz YJGYSICCZIVWCF-WCQYABFASA-N 1 2 239.290 1.605 20 0 BDADLO CCOC(=O)C1CC(OCc2c[nH+]cn2C)C1 ZINC001222595147 972594145 /nfs/dbraw/zinc/59/41/45/972594145.db2.gz QJCOGKVZUXWNAA-UHFFFAOYSA-N 1 2 238.287 1.278 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1CCOC[C@H]1F ZINC001222600632 972600681 /nfs/dbraw/zinc/60/06/81/972600681.db2.gz SRJGHCNLSPPPCI-ZJUUUORDSA-N 1 2 214.240 1.064 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncn[nH]1)C1CCOCC1 ZINC001327519202 972608748 /nfs/dbraw/zinc/60/87/48/972608748.db2.gz LGYPRKHUZLWTPB-SNVBAGLBSA-N 1 2 224.308 1.100 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)[nH]1 ZINC001327517038 972609193 /nfs/dbraw/zinc/60/91/93/972609193.db2.gz AFEJELGTLDKAAM-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H](C3CCOCC3)C2)[nH]1 ZINC001327517038 972609199 /nfs/dbraw/zinc/60/91/99/972609199.db2.gz AFEJELGTLDKAAM-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1c(C[N@@H+]2CC[C@]23CCOC3)onc1C1CC1 ZINC001327534836 972618188 /nfs/dbraw/zinc/61/81/88/972618188.db2.gz HBOLDODJEBHWFY-CYBMUJFWSA-N 1 2 234.299 1.917 20 0 BDADLO c1c(C[N@H+]2CC[C@]23CCOC3)onc1C1CC1 ZINC001327534836 972618193 /nfs/dbraw/zinc/61/81/93/972618193.db2.gz HBOLDODJEBHWFY-CYBMUJFWSA-N 1 2 234.299 1.917 20 0 BDADLO c1c(C[N@@H+]2CC[C@@]23CCOC3)onc1C1CC1 ZINC001327534837 972620001 /nfs/dbraw/zinc/62/00/01/972620001.db2.gz HBOLDODJEBHWFY-ZDUSSCGKSA-N 1 2 234.299 1.917 20 0 BDADLO c1c(C[N@H+]2CC[C@@]23CCOC3)onc1C1CC1 ZINC001327534837 972620010 /nfs/dbraw/zinc/62/00/10/972620010.db2.gz HBOLDODJEBHWFY-ZDUSSCGKSA-N 1 2 234.299 1.917 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144169152 972668224 /nfs/dbraw/zinc/66/82/24/972668224.db2.gz YFDHAVSMIHQOHT-WDEREUQCSA-N 1 2 235.262 1.078 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144169152 972668234 /nfs/dbraw/zinc/66/82/34/972668234.db2.gz YFDHAVSMIHQOHT-WDEREUQCSA-N 1 2 235.262 1.078 20 0 BDADLO c1cc2ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)nc2[nH]1 ZINC001144185333 972678416 /nfs/dbraw/zinc/67/84/16/972678416.db2.gz CKDCLJUMAMDGDB-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)nc2[nH]1 ZINC001144185333 972678420 /nfs/dbraw/zinc/67/84/20/972678420.db2.gz CKDCLJUMAMDGDB-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO Cc1c[nH]c(CCNC(=O)CCC(=O)C2CC2)[nH+]1 ZINC001144229275 972698311 /nfs/dbraw/zinc/69/83/11/972698311.db2.gz REBVBYDFDZJRPE-UHFFFAOYSA-N 1 2 249.314 1.136 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2C[C@]23CCOC3)o1 ZINC001327867279 972770938 /nfs/dbraw/zinc/77/09/38/972770938.db2.gz WQWXNQFQJVTPHB-KWQFWETISA-N 1 2 223.276 1.025 20 0 BDADLO COC(=O)c1ccccc1COC1C[NH+](C)C1 ZINC001223037631 972815386 /nfs/dbraw/zinc/81/53/86/972815386.db2.gz OHXNOMYGRHHMBP-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC1CCC1 ZINC000845476481 972828570 /nfs/dbraw/zinc/82/85/70/972828570.db2.gz HCWYNKMDAIIBME-UHFFFAOYSA-N 1 2 234.299 1.858 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnc(OC)c(F)c1 ZINC001144478046 972836995 /nfs/dbraw/zinc/83/69/95/972836995.db2.gz AFEVFUJUPJMEIC-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnc(OC)c(F)c1 ZINC001144478046 972837004 /nfs/dbraw/zinc/83/70/04/972837004.db2.gz AFEVFUJUPJMEIC-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO c1nc(C[NH+]2CCSCC2)c2ccccn12 ZINC001144614859 972889831 /nfs/dbraw/zinc/88/98/31/972889831.db2.gz AVGPMQPGGVNJMC-UHFFFAOYSA-N 1 2 233.340 1.883 20 0 BDADLO CO[C@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144611603 972890193 /nfs/dbraw/zinc/89/01/93/972890193.db2.gz RWBFYNJRNIEPCS-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)c(O)cc2F)C[C@@H]1O ZINC001144647185 972910341 /nfs/dbraw/zinc/91/03/41/972910341.db2.gz BWMUJWIAJGNEPL-MADCSZMMSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)c(O)cc2F)C[C@@H]1O ZINC001144647185 972910350 /nfs/dbraw/zinc/91/03/50/972910350.db2.gz BWMUJWIAJGNEPL-MADCSZMMSA-N 1 2 243.253 1.483 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2ccsc2)o1 ZINC001328432280 973051759 /nfs/dbraw/zinc/05/17/59/973051759.db2.gz BNYKIFYSESSBIF-UHFFFAOYSA-N 1 2 223.301 1.784 20 0 BDADLO Cc1cc(CO[C@@H]2CCCOC2=O)cc(C)[nH+]1 ZINC001223422181 973059770 /nfs/dbraw/zinc/05/97/70/973059770.db2.gz ULKSTNQRRFDHLN-GFCCVEGCSA-N 1 2 235.283 1.921 20 0 BDADLO CC(=O)N1CC(OCc2cc(C)[nH+]c(C)c2)C1 ZINC001223426037 973065917 /nfs/dbraw/zinc/06/59/17/973065917.db2.gz XORAXESPSPZICP-UHFFFAOYSA-N 1 2 234.299 1.446 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC001328784382 973345093 /nfs/dbraw/zinc/34/50/93/973345093.db2.gz DKQZVTLXCMPDFG-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC001328784382 973345100 /nfs/dbraw/zinc/34/51/00/973345100.db2.gz DKQZVTLXCMPDFG-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO COCCn1c[nH+]cc1CNC(=O)c1ccco1 ZINC001147096259 973433451 /nfs/dbraw/zinc/43/34/51/973433451.db2.gz GSXUSQJCXPDDDD-UHFFFAOYSA-N 1 2 249.270 1.053 20 0 BDADLO Cc1cncc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001147402221 973597724 /nfs/dbraw/zinc/59/77/24/973597724.db2.gz GUAKNMPTFMIUJD-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO COc1cccc(OCCOC2C[NH+](C)C2)c1 ZINC001224412708 973629642 /nfs/dbraw/zinc/62/96/42/973629642.db2.gz QQAJBPDLWRBBAG-UHFFFAOYSA-N 1 2 237.299 1.405 20 0 BDADLO Cc1nc(NC(=O)Cc2c[nH+]cn2C)oc1C ZINC001147966509 973789426 /nfs/dbraw/zinc/78/94/26/973789426.db2.gz HPGKSDWGESYWKT-UHFFFAOYSA-N 1 2 234.259 1.206 20 0 BDADLO CC(C)=CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001276998249 973976661 /nfs/dbraw/zinc/97/66/61/973976661.db2.gz ZZPWQSQFPGDPKT-UHFFFAOYSA-N 1 2 249.314 1.379 20 0 BDADLO COC1CCC(COC2C[NH+](C)C2)CC1 ZINC001224839941 974014103 /nfs/dbraw/zinc/01/41/03/974014103.db2.gz KSYXXOQABCNFPE-UHFFFAOYSA-N 1 2 213.321 1.522 20 0 BDADLO C/C=C(\C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093544644 974028957 /nfs/dbraw/zinc/02/89/57/974028957.db2.gz QHCRAKGORMBOHG-RUDMXATFSA-N 1 2 234.303 1.279 20 0 BDADLO Fc1cccc2c1C[C@H]([NH2+]Cc1ncon1)C2 ZINC001171768204 974153679 /nfs/dbraw/zinc/15/36/79/974153679.db2.gz FOSYXNULTIBIKV-SECBINFHSA-N 1 2 233.246 1.466 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN1CCCC(F)(F)C1 ZINC001171734756 974162526 /nfs/dbraw/zinc/16/25/26/974162526.db2.gz KTFUCAXFMJECMQ-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN1CCCC(F)(F)C1 ZINC001171734756 974162542 /nfs/dbraw/zinc/16/25/42/974162542.db2.gz KTFUCAXFMJECMQ-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO CN1CC[N@@H+]([C@H]2Cc3cccc(F)c3C2)CC1=O ZINC001171792748 974189028 /nfs/dbraw/zinc/18/90/28/974189028.db2.gz IXCYIVUUEMUDRO-NSHDSACASA-N 1 2 248.301 1.067 20 0 BDADLO CN1CC[N@H+]([C@H]2Cc3cccc(F)c3C2)CC1=O ZINC001171792748 974189041 /nfs/dbraw/zinc/18/90/41/974189041.db2.gz IXCYIVUUEMUDRO-NSHDSACASA-N 1 2 248.301 1.067 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171801672 974194311 /nfs/dbraw/zinc/19/43/11/974194311.db2.gz QOHYDXBBLLUUPL-GXSJLCMTSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171801672 974194340 /nfs/dbraw/zinc/19/43/40/974194340.db2.gz QOHYDXBBLLUUPL-GXSJLCMTSA-N 1 2 248.301 1.113 20 0 BDADLO Fc1cccc2c1C[C@H]([N@@H+]1CCO[C@H]3C[C@H]31)C2 ZINC001171811518 974198262 /nfs/dbraw/zinc/19/82/62/974198262.db2.gz ZAIVACNJCRWWDC-HONMWMINSA-N 1 2 233.286 1.766 20 0 BDADLO Fc1cccc2c1C[C@H]([N@H+]1CCO[C@H]3C[C@H]31)C2 ZINC001171811518 974198271 /nfs/dbraw/zinc/19/82/71/974198271.db2.gz ZAIVACNJCRWWDC-HONMWMINSA-N 1 2 233.286 1.766 20 0 BDADLO C[C@@H]1CCC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001330548517 974309296 /nfs/dbraw/zinc/30/92/96/974309296.db2.gz YOYJPCJDHVMYGA-ZJUUUORDSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001330548517 974309302 /nfs/dbraw/zinc/30/93/02/974309302.db2.gz YOYJPCJDHVMYGA-ZJUUUORDSA-N 1 2 208.309 1.815 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(c2)CCC3)C1 ZINC001225264456 974326924 /nfs/dbraw/zinc/32/69/24/974326924.db2.gz WARDVIDPMFAUPJ-UHFFFAOYSA-N 1 2 203.285 1.868 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc(Cl)cn2)C1 ZINC001225274496 974334313 /nfs/dbraw/zinc/33/43/13/974334313.db2.gz DMBGVPITFOMCOC-SNVBAGLBSA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc(Cl)cn2)C1 ZINC001225274496 974334323 /nfs/dbraw/zinc/33/43/23/974334323.db2.gz DMBGVPITFOMCOC-SNVBAGLBSA-N 1 2 242.706 1.444 20 0 BDADLO Cc1cccc(O[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001225276472 974343087 /nfs/dbraw/zinc/34/30/87/974343087.db2.gz UQIXUOLYKKPWEB-LBPRGKRZSA-N 1 2 236.315 1.490 20 0 BDADLO COC(=O)[C@H](Oc1cc[nH+]cc1)C(F)(F)F ZINC001225291814 974365821 /nfs/dbraw/zinc/36/58/21/974365821.db2.gz YWSGWKVRXGIDLJ-ZETCQYMHSA-N 1 2 235.161 1.564 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cccc(F)c2N)n1C ZINC001330627139 974374030 /nfs/dbraw/zinc/37/40/30/974374030.db2.gz SQEVZEKBDBMINR-UHFFFAOYSA-N 1 2 249.293 1.135 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccoc1 ZINC000096083511 974378462 /nfs/dbraw/zinc/37/84/62/974378462.db2.gz STTQAVBBIFYMAP-FUNVUKJBSA-N 1 2 237.299 1.658 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccoc1 ZINC000096083511 974378471 /nfs/dbraw/zinc/37/84/71/974378471.db2.gz STTQAVBBIFYMAP-FUNVUKJBSA-N 1 2 237.299 1.658 20 0 BDADLO CC[NH+]1CC(Oc2cccc(OC)c2OC)C1 ZINC001225301361 974380003 /nfs/dbraw/zinc/38/00/03/974380003.db2.gz DWLMKIWHOCYEHJ-UHFFFAOYSA-N 1 2 237.299 1.787 20 0 BDADLO CC[NH+]1CC(Oc2ccc(OC)c(OC)c2)C1 ZINC001225313326 974389746 /nfs/dbraw/zinc/38/97/46/974389746.db2.gz ROJUDNAJHALEAV-UHFFFAOYSA-N 1 2 237.299 1.787 20 0 BDADLO Cc1ncccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001225351211 974432810 /nfs/dbraw/zinc/43/28/10/974432810.db2.gz HZIVUPWJNINCSX-NSHDSACASA-N 1 2 236.315 1.490 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)CCC1=O ZINC001330751347 974453564 /nfs/dbraw/zinc/45/35/64/974453564.db2.gz GPHOEZKJMVTRNR-ZJUUUORDSA-N 1 2 249.314 1.042 20 0 BDADLO CC1(C)C[C@H]([NH2+]C2(c3ncccn3)CC2)CO1 ZINC001172278655 974496320 /nfs/dbraw/zinc/49/63/20/974496320.db2.gz JQAOZSLSHBSPME-JTQLQIEISA-N 1 2 233.315 1.623 20 0 BDADLO CC[NH+]1CC(Oc2ccc(OC(C)=O)cc2)C1 ZINC001225495455 974531609 /nfs/dbraw/zinc/53/16/09/974531609.db2.gz CZMUGBIIWHLVKO-UHFFFAOYSA-N 1 2 235.283 1.695 20 0 BDADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC001331026709 974562760 /nfs/dbraw/zinc/56/27/60/974562760.db2.gz YPQKRRPZBQVXRQ-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1CC3(CCC3)CO1)CC2 ZINC001331109141 974605065 /nfs/dbraw/zinc/60/50/65/974605065.db2.gz IAMUDFRSBFDHNF-ZDUSSCGKSA-N 1 2 247.342 1.658 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1CC3(CCC3)CO1)CC2 ZINC001331109141 974605069 /nfs/dbraw/zinc/60/50/69/974605069.db2.gz IAMUDFRSBFDHNF-ZDUSSCGKSA-N 1 2 247.342 1.658 20 0 BDADLO c1[nH+]cn2c1CN(C[C@@H]1CC[C@@H](C3CC3)O1)CC2 ZINC001331252496 974662347 /nfs/dbraw/zinc/66/23/47/974662347.db2.gz GCJMFUMIWXVOSW-KBPBESRZSA-N 1 2 247.342 1.656 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172416365 974685578 /nfs/dbraw/zinc/68/55/78/974685578.db2.gz GZZZQKYENRSDNK-WDEREUQCSA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@H](C)[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172416365 974685581 /nfs/dbraw/zinc/68/55/81/974685581.db2.gz GZZZQKYENRSDNK-WDEREUQCSA-N 1 2 231.311 1.805 20 0 BDADLO CC(C)OCC[C@H](C)[NH2+]CC(=O)OC(C)C ZINC001172433126 974720441 /nfs/dbraw/zinc/72/04/41/974720441.db2.gz GLWVNVCCSSCDFN-NSHDSACASA-N 1 2 231.336 1.731 20 0 BDADLO CC(C)[NH+]1CC(Oc2ncnc3c2CCC3)C1 ZINC001226382643 974872212 /nfs/dbraw/zinc/87/22/12/974872212.db2.gz CUSSJLOVYJTJCL-UHFFFAOYSA-N 1 2 233.315 1.437 20 0 BDADLO CC[NH+]1CC(Oc2nncc3ccccc32)C1 ZINC001226390570 974876269 /nfs/dbraw/zinc/87/62/69/974876269.db2.gz UUBUSXSVRNJSSX-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO OCc1ccc(C[NH+]2CC3(C2)CCCCO3)cc1 ZINC001203181616 974901189 /nfs/dbraw/zinc/90/11/89/974901189.db2.gz BXNIPWWRIBBLLV-UHFFFAOYSA-N 1 2 247.338 1.934 20 0 BDADLO C[NH+]1CC(Oc2cnc3ccccc3c2)C1 ZINC001226659201 975005789 /nfs/dbraw/zinc/00/57/89/975005789.db2.gz OTMAKDLVVPKTHU-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(F)nc1 ZINC001226696608 975030234 /nfs/dbraw/zinc/03/02/34/975030234.db2.gz CIXRVJMNRLRNST-JTQLQIEISA-N 1 2 240.278 1.320 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1F ZINC001203254075 975057318 /nfs/dbraw/zinc/05/73/18/975057318.db2.gz BHBOOHKBZIMOFQ-WDEREUQCSA-N 1 2 212.268 1.194 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1F ZINC001203254075 975057325 /nfs/dbraw/zinc/05/73/25/975057325.db2.gz BHBOOHKBZIMOFQ-WDEREUQCSA-N 1 2 212.268 1.194 20 0 BDADLO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C(=O)OC)[C@@H](C)O)C1 ZINC001173266868 975133910 /nfs/dbraw/zinc/13/39/10/975133910.db2.gz HXTZHNFKANJBNX-GWOFURMSSA-N 1 2 229.320 1.077 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1ncnn1C ZINC001332947115 975336673 /nfs/dbraw/zinc/33/66/73/975336673.db2.gz SYVRNDYOZJMPTC-NXEZZACHSA-N 1 2 246.318 1.325 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nncs2)CCS1 ZINC001332990003 975360998 /nfs/dbraw/zinc/36/09/98/975360998.db2.gz HCGBJALYBCJSEV-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nncs2)CCS1 ZINC001332990003 975361008 /nfs/dbraw/zinc/36/10/08/975361008.db2.gz HCGBJALYBCJSEV-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO CC1(F)C[NH+]([C@@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173748593 975538617 /nfs/dbraw/zinc/53/86/17/975538617.db2.gz PRLHOFRPWBWMDQ-ZJUUUORDSA-N 1 2 239.298 1.201 20 0 BDADLO CCn1nccc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001333308849 975643271 /nfs/dbraw/zinc/64/32/71/975643271.db2.gz ZZBFSBNANIHIEC-ONGXEEELSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCc2ccns2)no1 ZINC001333329343 975661952 /nfs/dbraw/zinc/66/19/52/975661952.db2.gz VMPJJYZUHKYZPS-ZETCQYMHSA-N 1 2 238.316 1.728 20 0 BDADLO CCOC(=O)c1ccccc1OC1C[NH+](CC)C1 ZINC001228070015 975891211 /nfs/dbraw/zinc/89/12/11/975891211.db2.gz APJJCUZWANTMPQ-UHFFFAOYSA-N 1 2 249.310 1.946 20 0 BDADLO CO[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001333680399 975982651 /nfs/dbraw/zinc/98/26/51/975982651.db2.gz UDNPMWFKZZEBNM-UKKRHICBSA-N 1 2 249.314 1.197 20 0 BDADLO CO[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001333680399 975982670 /nfs/dbraw/zinc/98/26/70/975982670.db2.gz UDNPMWFKZZEBNM-UKKRHICBSA-N 1 2 249.314 1.197 20 0 BDADLO CC[C@@H](O)C(=O)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327938 976119457 /nfs/dbraw/zinc/11/94/57/976119457.db2.gz YKDNHTBKBLHRGI-LLVKDONJSA-N 1 2 234.255 1.548 20 0 BDADLO Cc1[nH]c2ccc(OC3COCOC3)cc2[nH+]1 ZINC001228327567 976125282 /nfs/dbraw/zinc/12/52/82/976125282.db2.gz RPABMSRKRYYKMD-UHFFFAOYSA-N 1 2 234.255 1.623 20 0 BDADLO COc1ncc(Nc2cccn3cc[nH+]c23)cn1 ZINC001174033716 976236141 /nfs/dbraw/zinc/23/61/41/976236141.db2.gz STNGGRJSGVXXHI-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Cn1cnc(Nc2cc[nH+]c3ccccc23)n1 ZINC001174037209 976242772 /nfs/dbraw/zinc/24/27/72/976242772.db2.gz PBVITQQVUMQKED-UHFFFAOYSA-N 1 2 225.255 1.529 20 0 BDADLO Cc1cc(C[N@H+](C)C2(CO)CCC2)n[nH]1 ZINC001334059284 976260060 /nfs/dbraw/zinc/26/00/60/976260060.db2.gz ADHGHKMUEOZKKT-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2n[nH]c3ccccc32)C1 ZINC001228523267 976270003 /nfs/dbraw/zinc/27/00/03/976270003.db2.gz CPPVFMFSUAPLHG-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2n[nH]c3ccccc32)C1 ZINC001228523267 976270025 /nfs/dbraw/zinc/27/00/25/976270025.db2.gz CPPVFMFSUAPLHG-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nncs1 ZINC001334171724 976340146 /nfs/dbraw/zinc/34/01/46/976340146.db2.gz MQEAUYMRRGZIIM-OPRDCNLKSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nncs1 ZINC001334171724 976340165 /nfs/dbraw/zinc/34/01/65/976340165.db2.gz MQEAUYMRRGZIIM-OPRDCNLKSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nncs1 ZINC001334171722 976343445 /nfs/dbraw/zinc/34/34/45/976343445.db2.gz MQEAUYMRRGZIIM-KXUCPTDWSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nncs1 ZINC001334171722 976343461 /nfs/dbraw/zinc/34/34/61/976343461.db2.gz MQEAUYMRRGZIIM-KXUCPTDWSA-N 1 2 241.360 1.519 20 0 BDADLO CC[NH+]1CC(Oc2nc3ccccc3n2C)C1 ZINC001228659089 976418348 /nfs/dbraw/zinc/41/83/48/976418348.db2.gz DTTCZRYKDRYBAM-UHFFFAOYSA-N 1 2 231.299 1.656 20 0 BDADLO C[NH+]1CCC(Oc2ccc3nn[nH]c3c2)CC1 ZINC001228663861 976420352 /nfs/dbraw/zinc/42/03/52/976420352.db2.gz JJVPZKTXAJISEG-UHFFFAOYSA-N 1 2 232.287 1.431 20 0 BDADLO Cc1cc(C[NH2+]Cc2ocnc2C)on1 ZINC001334279739 976422054 /nfs/dbraw/zinc/42/20/54/976422054.db2.gz FWCPDZYSHARXTQ-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC001334355715 976467142 /nfs/dbraw/zinc/46/71/42/976467142.db2.gz PIPZSKDEVIVVFC-JGVFFNPUSA-N 1 2 249.318 1.832 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001334500009 976546893 /nfs/dbraw/zinc/54/68/93/976546893.db2.gz OZZTVXDCIWLLAT-GMTAPVOTSA-N 1 2 237.303 1.128 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001334500008 976548977 /nfs/dbraw/zinc/54/89/77/976548977.db2.gz OZZTVXDCIWLLAT-DCAQKATOSA-N 1 2 237.303 1.128 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)nc(SC)n2)C1 ZINC001228909392 976572405 /nfs/dbraw/zinc/57/24/05/976572405.db2.gz JKKKRFUZPVCWTE-UHFFFAOYSA-N 1 2 239.344 1.590 20 0 BDADLO COC(C)(C)c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001334723314 976603765 /nfs/dbraw/zinc/60/37/65/976603765.db2.gz KQIFTTHFAVHJPM-HTQZYQBOSA-N 1 2 248.286 1.945 20 0 BDADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CCn2cncc2C1 ZINC001334926025 976790490 /nfs/dbraw/zinc/79/04/90/976790490.db2.gz YMVASCRBNXNMRH-SNVBAGLBSA-N 1 2 246.289 1.994 20 0 BDADLO C[C@H](c1ccc(F)nc1)[N@H+]1CCn2cncc2C1 ZINC001334926025 976790505 /nfs/dbraw/zinc/79/05/05/976790505.db2.gz YMVASCRBNXNMRH-SNVBAGLBSA-N 1 2 246.289 1.994 20 0 BDADLO CC(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001334932633 976796428 /nfs/dbraw/zinc/79/64/28/976796428.db2.gz BUFUNSRNYNWYQX-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](C(=O)NC1CCC(=O)CC1)n1cc[nH+]c1 ZINC001335123139 976855367 /nfs/dbraw/zinc/85/53/67/976855367.db2.gz HUSKWUPMDTYBQS-VIFPVBQESA-N 1 2 235.287 1.072 20 0 BDADLO Cc1cccc2c1nc(=O)[nH]c2OC1C[NH+](C)C1 ZINC001229405805 976861171 /nfs/dbraw/zinc/86/11/71/976861171.db2.gz ZZZLPZFWEPBVAY-UHFFFAOYSA-N 1 2 245.282 1.337 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H](C)c1cc(CO)on1 ZINC001335284180 976923739 /nfs/dbraw/zinc/92/37/39/976923739.db2.gz XWEREVYFVDZBDZ-JTQLQIEISA-N 1 2 247.298 1.721 20 0 BDADLO NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1F ZINC001277414323 976967509 /nfs/dbraw/zinc/96/75/09/976967509.db2.gz IETBEFODAPOJAZ-GXFFZTMASA-N 1 2 234.274 1.275 20 0 BDADLO NC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1F ZINC001277414323 976967514 /nfs/dbraw/zinc/96/75/14/976967514.db2.gz IETBEFODAPOJAZ-GXFFZTMASA-N 1 2 234.274 1.275 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)n1cc[nH+]c1 ZINC001335362779 976996518 /nfs/dbraw/zinc/99/65/18/976996518.db2.gz VXSOEAKJDQASIS-WRWGMCAJSA-N 1 2 233.315 1.749 20 0 BDADLO FC1(F)CCN(c2nccn3c[nH+]cc23)C1 ZINC001335471035 977077687 /nfs/dbraw/zinc/07/76/87/977077687.db2.gz KYAVHIYEEDOKGA-UHFFFAOYSA-N 1 2 224.214 1.575 20 0 BDADLO CC(C)(C)c1cn(C[C@H]2CCC(=O)O2)c[nH+]1 ZINC001335497955 977100055 /nfs/dbraw/zinc/10/00/55/977100055.db2.gz PGMCIVSQQMHZDN-SECBINFHSA-N 1 2 222.288 1.886 20 0 BDADLO Fc1cncc(F)c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC001335594172 977168634 /nfs/dbraw/zinc/16/86/34/977168634.db2.gz MRSKQSFCRJYVBA-HQJQHLMTSA-N 1 2 210.227 1.954 20 0 BDADLO Fc1cncc(F)c1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC001335594172 977168644 /nfs/dbraw/zinc/16/86/44/977168644.db2.gz MRSKQSFCRJYVBA-HQJQHLMTSA-N 1 2 210.227 1.954 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc[nH+]cc2F)on1 ZINC001175196732 977291554 /nfs/dbraw/zinc/29/15/54/977291554.db2.gz FFLIXGWNOYYKTN-QMMMGPOBSA-N 1 2 235.262 1.982 20 0 BDADLO CC[NH+]1CC(Oc2cc(O)cc(OC)c2)C1 ZINC001230707571 977303612 /nfs/dbraw/zinc/30/36/12/977303612.db2.gz HTRNHAYDYGUXPQ-UHFFFAOYSA-N 1 2 223.272 1.484 20 0 BDADLO CC(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230731532 977318728 /nfs/dbraw/zinc/31/87/28/977318728.db2.gz ZRVLXEJLTYJNJV-GFCCVEGCSA-N 1 2 244.354 1.925 20 0 BDADLO CC(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230731532 977318741 /nfs/dbraw/zinc/31/87/41/977318741.db2.gz ZRVLXEJLTYJNJV-GFCCVEGCSA-N 1 2 244.354 1.925 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccns1 ZINC001335848406 977325849 /nfs/dbraw/zinc/32/58/49/977325849.db2.gz XAWTUVGQWVJVNA-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccns1 ZINC001335848406 977325852 /nfs/dbraw/zinc/32/58/52/977325852.db2.gz XAWTUVGQWVJVNA-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC001335906762 977360335 /nfs/dbraw/zinc/36/03/35/977360335.db2.gz OUYCAEHPJVZYTH-FWWRYZNZSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCO[C@@](C)(CC)C1 ZINC001335906762 977360341 /nfs/dbraw/zinc/36/03/41/977360341.db2.gz OUYCAEHPJVZYTH-FWWRYZNZSA-N 1 2 241.331 1.607 20 0 BDADLO COc1nccnc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175338912 977387789 /nfs/dbraw/zinc/38/77/89/977387789.db2.gz QZVPTGQEURQKGG-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO CC[C@@H](O)C[NH2+][C@H](C)c1noc(C(F)F)n1 ZINC001336016653 977430565 /nfs/dbraw/zinc/43/05/65/977430565.db2.gz FYNRNMPJDNPGOG-PHDIDXHHSA-N 1 2 235.234 1.429 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccsn1 ZINC001175522637 977505196 /nfs/dbraw/zinc/50/51/96/977505196.db2.gz KQYWIQSWQCTCBA-UHFFFAOYSA-N 1 2 222.273 1.368 20 0 BDADLO C[C@@H](C(=O)NCC(=O)C(C)(C)C)n1cc[nH+]c1 ZINC001336205943 977569384 /nfs/dbraw/zinc/56/93/84/977569384.db2.gz WUIDFCKPTCDRCM-VIFPVBQESA-N 1 2 237.303 1.176 20 0 BDADLO Cc1c(F)ccc(C[NH+]2CC(CO)C2)c1F ZINC001231477939 977601185 /nfs/dbraw/zinc/60/11/85/977601185.db2.gz UOWNVFSFKLQZSU-UHFFFAOYSA-N 1 2 227.254 1.697 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1c[nH]c2cccnc12 ZINC001231490934 977615290 /nfs/dbraw/zinc/61/52/90/977615290.db2.gz ZMWGLFMCWSQXTN-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]c2cccnc12 ZINC001231490934 977615295 /nfs/dbraw/zinc/61/52/95/977615295.db2.gz ZMWGLFMCWSQXTN-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO Cc1nc(N)ncc1Nc1cccc2[nH+]ccn21 ZINC001175663743 977639936 /nfs/dbraw/zinc/63/99/36/977639936.db2.gz LCFFUVYVLWTJSO-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO CCOc1ccc(C[NH+]2CC3(CC(O)C3)C2)cn1 ZINC001231650019 977665530 /nfs/dbraw/zinc/66/55/30/977665530.db2.gz UMBTZGZOEZESPZ-UHFFFAOYSA-N 1 2 248.326 1.437 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1ncccn1 ZINC001175706059 977689487 /nfs/dbraw/zinc/68/94/87/977689487.db2.gz CHGCMNWXKUBVJI-GFCCVEGCSA-N 1 2 237.347 1.706 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001175706059 977689494 /nfs/dbraw/zinc/68/94/94/977689494.db2.gz CHGCMNWXKUBVJI-GFCCVEGCSA-N 1 2 237.347 1.706 20 0 BDADLO C[C@H]([C@H](C)O)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001175890521 977771944 /nfs/dbraw/zinc/77/19/44/977771944.db2.gz AMUDMJIGWKHUIX-ZJUUUORDSA-N 1 2 239.290 1.098 20 0 BDADLO Cc1cc(C[N@@H+](C)C2(C)COC2)cnc1F ZINC001231927166 977798289 /nfs/dbraw/zinc/79/82/89/977798289.db2.gz LDKASBFMOGQWGV-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(C[N@H+](C)C2(C)COC2)cnc1F ZINC001231927166 977798300 /nfs/dbraw/zinc/79/83/00/977798300.db2.gz LDKASBFMOGQWGV-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO CCc1ccc(N(C)[C@@H](C)C[S@@](C)=O)[nH+]c1 ZINC001336590403 977800668 /nfs/dbraw/zinc/80/06/68/977800668.db2.gz RRBLXBJJADEVTB-MGPLVRAMSA-N 1 2 240.372 1.847 20 0 BDADLO COc1cnc(C[N@H+](C)Cc2ccncc2)cn1 ZINC001231938241 977808093 /nfs/dbraw/zinc/80/80/93/977808093.db2.gz BRHHBBKLUBOHND-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cnc(C[N@@H+](C)Cc2ccncc2)cn1 ZINC001231938241 977808094 /nfs/dbraw/zinc/80/80/94/977808094.db2.gz BRHHBBKLUBOHND-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1cc(F)cc(N2CC[C@](O)(C(F)F)C2)[nH+]1 ZINC001336647119 977826959 /nfs/dbraw/zinc/82/69/59/977826959.db2.gz LLLMYCYDUYOJBV-LLVKDONJSA-N 1 2 246.232 1.735 20 0 BDADLO Nc1cc(N2CC[C@@H](c3cccnc3)C2)[nH+]cn1 ZINC001336680431 977850212 /nfs/dbraw/zinc/85/02/12/977850212.db2.gz TVSQCEFTSIUQKP-LLVKDONJSA-N 1 2 241.298 1.448 20 0 BDADLO CCn1cnc2c1ncnc2Nc1[nH]cc[nH+]1 ZINC001176082167 977879483 /nfs/dbraw/zinc/87/94/83/977879483.db2.gz XJFMCDPBELGDKW-UHFFFAOYSA-N 1 2 229.247 1.313 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)[nH]1 ZINC001232073017 977881266 /nfs/dbraw/zinc/88/12/66/977881266.db2.gz MMOMWGVXXGYNNV-SCZZXKLOSA-N 1 2 240.278 1.591 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)[nH]1 ZINC001232073017 977881270 /nfs/dbraw/zinc/88/12/70/977881270.db2.gz MMOMWGVXXGYNNV-SCZZXKLOSA-N 1 2 240.278 1.591 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc2ccncc2[nH]1 ZINC001232094268 977892977 /nfs/dbraw/zinc/89/29/77/977892977.db2.gz PQGNWKUFYPVXTC-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc2ccncc2[nH]1 ZINC001232094268 977892980 /nfs/dbraw/zinc/89/29/80/977892980.db2.gz PQGNWKUFYPVXTC-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCOCC2)[nH+]cn1 ZINC001336735144 977894856 /nfs/dbraw/zinc/89/48/56/977894856.db2.gz JWBXGXGFTDSNGK-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCOCC2)nc[nH+]1 ZINC001336735144 977894859 /nfs/dbraw/zinc/89/48/59/977894859.db2.gz JWBXGXGFTDSNGK-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO Cc1nnc(Nc2cc(C)[nH+]c(C)c2)o1 ZINC001176051746 977896027 /nfs/dbraw/zinc/89/60/27/977896027.db2.gz IOQUETPQCKOPLP-UHFFFAOYSA-N 1 2 204.233 1.555 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cn(C)nc1C1CC1 ZINC001232168100 977905228 /nfs/dbraw/zinc/90/52/28/977905228.db2.gz BJYDXTAURBUYSV-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cn(C)nc1C1CC1 ZINC001232168100 977905245 /nfs/dbraw/zinc/90/52/45/977905245.db2.gz BJYDXTAURBUYSV-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccnc(C(C)(C)C)c1 ZINC001232214195 977943346 /nfs/dbraw/zinc/94/33/46/977943346.db2.gz MQCWCAHDIQJFHE-UHFFFAOYSA-N 1 2 249.358 1.557 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccnc(C(C)(C)C)c1 ZINC001232214195 977943354 /nfs/dbraw/zinc/94/33/54/977943354.db2.gz MQCWCAHDIQJFHE-UHFFFAOYSA-N 1 2 249.358 1.557 20 0 BDADLO COc1cc[nH+]cc1Nc1nccnc1C ZINC001176116839 977945578 /nfs/dbraw/zinc/94/55/78/977945578.db2.gz MJIJXRWGSBUWSV-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO COc1cncc(Nc2c[nH+]ccc2OC)n1 ZINC001176116731 977946351 /nfs/dbraw/zinc/94/63/51/977946351.db2.gz KPMXAXBODSQPIO-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO COc1cc[nH+]cc1Nc1c(C)cnn1CCO ZINC001176121448 977950423 /nfs/dbraw/zinc/95/04/23/977950423.db2.gz IMOYLKVXSTVVSX-UHFFFAOYSA-N 1 2 248.286 1.331 20 0 BDADLO COc1cc[nH+]cc1Nc1ncccc1C(N)=O ZINC001176119411 977951147 /nfs/dbraw/zinc/95/11/47/977951147.db2.gz YRLJHXGDEJUXLB-UHFFFAOYSA-N 1 2 244.254 1.328 20 0 BDADLO O=C([O-])C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001595102803 977951550 /nfs/dbraw/zinc/95/15/50/977951550.db2.gz UINWCFQCNXCBME-LBPRGKRZSA-N 1 2 245.282 1.299 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnsc1 ZINC001232231902 977970423 /nfs/dbraw/zinc/97/04/23/977970423.db2.gz VQTQAHAJFQZZKK-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cnsc1 ZINC001232231902 977970434 /nfs/dbraw/zinc/97/04/34/977970434.db2.gz VQTQAHAJFQZZKK-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO COCc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001232301915 977994470 /nfs/dbraw/zinc/99/44/70/977994470.db2.gz DSHPCBMOQNMKCK-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO COCc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001232301915 977994477 /nfs/dbraw/zinc/99/44/77/977994477.db2.gz DSHPCBMOQNMKCK-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO CSc1ccc(C[NH+]2CC(CO)C2)cn1 ZINC001232328389 978003210 /nfs/dbraw/zinc/00/32/10/978003210.db2.gz GYZJKHJAGICTAW-UHFFFAOYSA-N 1 2 224.329 1.228 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)c(C)n1 ZINC001232332230 978007586 /nfs/dbraw/zinc/00/75/86/978007586.db2.gz ORWWZZMOTQCYOX-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)c(C)n1 ZINC001232332230 978007600 /nfs/dbraw/zinc/00/76/00/978007600.db2.gz ORWWZZMOTQCYOX-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(N)nc2C)C[C@@H]1F ZINC001232340440 978020985 /nfs/dbraw/zinc/02/09/85/978020985.db2.gz RQUPJGAGYZZOQW-WDEREUQCSA-N 1 2 239.294 1.141 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(N)nc2C)C[C@@H]1F ZINC001232340440 978020996 /nfs/dbraw/zinc/02/09/96/978020996.db2.gz RQUPJGAGYZZOQW-WDEREUQCSA-N 1 2 239.294 1.141 20 0 BDADLO Fc1ccc2nc(C[N@@H+]3CCCOCC3)cn2c1 ZINC001232408900 978051472 /nfs/dbraw/zinc/05/14/72/978051472.db2.gz AGEIDGRBLIXHNI-UHFFFAOYSA-N 1 2 249.289 1.696 20 0 BDADLO Fc1ccc2nc(C[N@H+]3CCCOCC3)cn2c1 ZINC001232408900 978051479 /nfs/dbraw/zinc/05/14/79/978051479.db2.gz AGEIDGRBLIXHNI-UHFFFAOYSA-N 1 2 249.289 1.696 20 0 BDADLO Cc1c([C@H](C)Nc2cc[nH+]cc2F)cnn1C ZINC001336918227 978055923 /nfs/dbraw/zinc/05/59/23/978055923.db2.gz KBHQZCIOFMEMIL-QMMMGPOBSA-N 1 2 234.278 1.858 20 0 BDADLO Cc1[nH]cc(CN2CC3(C2)CCCO3)[nH+]1 ZINC001232459674 978084232 /nfs/dbraw/zinc/08/42/32/978084232.db2.gz GMOOGXGXZTUXJR-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCCO3)c[nH+]1 ZINC001232459674 978084217 /nfs/dbraw/zinc/08/42/17/978084217.db2.gz GMOOGXGXZTUXJR-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cc([C@@H]2CCCC[N@@H+]2CCO)n[nH]1 ZINC001176474465 978096179 /nfs/dbraw/zinc/09/61/79/978096179.db2.gz JXVAIVODGDJESH-NSHDSACASA-N 1 2 209.293 1.237 20 0 BDADLO Cc1cc([C@@H]2CCCC[N@H+]2CCO)n[nH]1 ZINC001176474465 978096189 /nfs/dbraw/zinc/09/61/89/978096189.db2.gz JXVAIVODGDJESH-NSHDSACASA-N 1 2 209.293 1.237 20 0 BDADLO Cc1[nH]c(CN(C)Cc2nccs2)c[nH+]1 ZINC001232464191 978107631 /nfs/dbraw/zinc/10/76/31/978107631.db2.gz UVGUIOQCKUSYLX-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2nccs2)[nH+]1 ZINC001232464191 978107643 /nfs/dbraw/zinc/10/76/43/978107643.db2.gz UVGUIOQCKUSYLX-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001176515716 978113227 /nfs/dbraw/zinc/11/32/27/978113227.db2.gz MATLDWBVQFWQNE-ZYHUDNBSSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001176515716 978113237 /nfs/dbraw/zinc/11/32/37/978113237.db2.gz MATLDWBVQFWQNE-ZYHUDNBSSA-N 1 2 249.314 1.218 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)cc(C)n1 ZINC001337005001 978122580 /nfs/dbraw/zinc/12/25/80/978122580.db2.gz RFWVXRALHGNQCI-UHFFFAOYSA-N 1 2 244.298 1.325 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001337012019 978125211 /nfs/dbraw/zinc/12/52/11/978125211.db2.gz OCEWEJKSELYOSC-IUCAKERBSA-N 1 2 213.256 1.136 20 0 BDADLO Cc1cc(C[N@H+](C)CCC2CCOCC2)n[nH]1 ZINC001337042479 978140991 /nfs/dbraw/zinc/14/09/91/978140991.db2.gz NYMSYVVUVZVSJB-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO COC(=O)C1C[NH+](Cc2c(C)cccc2F)C1 ZINC001232490885 978143416 /nfs/dbraw/zinc/14/34/16/978143416.db2.gz SIKXNMRJMPJHNE-UHFFFAOYSA-N 1 2 237.274 1.739 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1CCOC2(CC2)C1 ZINC001232513573 978163306 /nfs/dbraw/zinc/16/33/06/978163306.db2.gz KUYPJCSXOJIAGY-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1CCOC2(CC2)C1 ZINC001232513573 978163312 /nfs/dbraw/zinc/16/33/12/978163312.db2.gz KUYPJCSXOJIAGY-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO CCOc1ccnc(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001232578456 978187090 /nfs/dbraw/zinc/18/70/90/978187090.db2.gz BNWKZLZRQIHVTP-UHFFFAOYSA-N 1 2 248.326 1.437 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1noc2cnccc21 ZINC001176828047 978190704 /nfs/dbraw/zinc/19/07/04/978190704.db2.gz VMCPIOYQKFDOIE-UHFFFAOYSA-N 1 2 243.226 1.127 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1noc2cccnc21 ZINC001176825902 978194683 /nfs/dbraw/zinc/19/46/83/978194683.db2.gz DOEXVZZHVVQOGP-UHFFFAOYSA-N 1 2 243.226 1.127 20 0 BDADLO COc1cccc(C)c1C[NH+]1CC(O)C1 ZINC001232620834 978199389 /nfs/dbraw/zinc/19/93/89/978199389.db2.gz UJDYYSXPJIKXIN-UHFFFAOYSA-N 1 2 207.273 1.180 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001232623409 978199551 /nfs/dbraw/zinc/19/95/51/978199551.db2.gz OOHIWRPSWQHDQQ-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cccc(C)c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001232623409 978199560 /nfs/dbraw/zinc/19/95/60/978199560.db2.gz OOHIWRPSWQHDQQ-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO CNc1ccccc1C[NH+]1CCC(=O)CC1 ZINC001232666728 978214593 /nfs/dbraw/zinc/21/45/93/978214593.db2.gz MKFHMORNXKTDDF-UHFFFAOYSA-N 1 2 218.300 1.893 20 0 BDADLO COc1cc(C[NH+](C)C)c(Br)cn1 ZINC001232744150 978256241 /nfs/dbraw/zinc/25/62/41/978256241.db2.gz LCJITMKJIHAMLP-UHFFFAOYSA-N 1 2 245.120 1.914 20 0 BDADLO CNc1ccccc1C[NH+]1CCN(C#N)CC1 ZINC001232676014 978245645 /nfs/dbraw/zinc/24/56/45/978245645.db2.gz RXDRLOGHDKHJNE-UHFFFAOYSA-N 1 2 230.315 1.327 20 0 BDADLO CCCn1cnc(C[NH+]2CC3(C2)CCOC3)c1 ZINC001232795139 978281625 /nfs/dbraw/zinc/28/16/25/978281625.db2.gz JPAZCIUKHSZFMX-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@H](C)COC)c[nH+]1 ZINC001597250773 978301413 /nfs/dbraw/zinc/30/14/13/978301413.db2.gz JVRHEMFUVHYXQF-VIFPVBQESA-N 1 2 239.319 1.261 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@H](C)COC)[nH+]1 ZINC001597250773 978301421 /nfs/dbraw/zinc/30/14/21/978301421.db2.gz JVRHEMFUVHYXQF-VIFPVBQESA-N 1 2 239.319 1.261 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232931702 978342883 /nfs/dbraw/zinc/34/28/83/978342883.db2.gz RYXYPFUXUXNYKJ-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232931702 978342894 /nfs/dbraw/zinc/34/28/94/978342894.db2.gz RYXYPFUXUXNYKJ-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CC1(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)CC1 ZINC001597584627 978344121 /nfs/dbraw/zinc/34/41/21/978344121.db2.gz HVZHROUJOHXGOZ-UHFFFAOYSA-N 1 2 233.315 1.705 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)c(O)c1F ZINC001232931142 978344841 /nfs/dbraw/zinc/34/48/41/978344841.db2.gz JQTSBFHDMKWBSJ-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232931142 978344855 /nfs/dbraw/zinc/34/48/55/978344855.db2.gz JQTSBFHDMKWBSJ-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO c1nc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)cc2o1 ZINC001232943241 978357728 /nfs/dbraw/zinc/35/77/28/978357728.db2.gz YNCBMSPEFMDQFZ-QWRGUYRKSA-N 1 2 230.267 1.801 20 0 BDADLO c1nc2ccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)cc2o1 ZINC001232943241 978357738 /nfs/dbraw/zinc/35/77/38/978357738.db2.gz YNCBMSPEFMDQFZ-QWRGUYRKSA-N 1 2 230.267 1.801 20 0 BDADLO Cc1c[nH]nc1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811574 978375464 /nfs/dbraw/zinc/37/54/64/978375464.db2.gz HWUFNVCTUZRFFE-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO Cc1c[nH]nc1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811574 978375475 /nfs/dbraw/zinc/37/54/75/978375475.db2.gz HWUFNVCTUZRFFE-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCO1 ZINC001337510533 978383340 /nfs/dbraw/zinc/38/33/40/978383340.db2.gz RMIKSAKWTQSJIS-JTQLQIEISA-N 1 2 220.272 1.238 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2c2cccs2)C1 ZINC001177542040 978387375 /nfs/dbraw/zinc/38/73/75/978387375.db2.gz AFXANBJODKRVKM-UWVGGRQHSA-N 1 2 236.340 1.282 20 0 BDADLO CC[N@H+](Cc1cnc(C)cc1C)C1COC1 ZINC001233009648 978405533 /nfs/dbraw/zinc/40/55/33/978405533.db2.gz IGYRMDGSNKATLS-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CC[N@@H+](Cc1cnc(C)cc1C)C1COC1 ZINC001233009648 978405540 /nfs/dbraw/zinc/40/55/40/978405540.db2.gz IGYRMDGSNKATLS-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCn3cncc3C2)cn1 ZINC001233009553 978409831 /nfs/dbraw/zinc/40/98/31/978409831.db2.gz DAZDPTKCOMSLID-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCn3cncc3C2)cn1 ZINC001233009553 978409839 /nfs/dbraw/zinc/40/98/39/978409839.db2.gz DAZDPTKCOMSLID-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO CSC=CC(=O)Nc1c(C)c[nH+]cc1C ZINC001337639341 978439246 /nfs/dbraw/zinc/43/92/46/978439246.db2.gz IIKWHKXJQJPUIE-PLNGDYQASA-N 1 2 222.313 1.936 20 0 BDADLO O=C(Cc1ccc[nH]1)Nc1cc[nH+]c2c1CCC2 ZINC001177865002 978446441 /nfs/dbraw/zinc/44/64/41/978446441.db2.gz RWZQEFHOUVWZQG-UHFFFAOYSA-N 1 2 241.294 1.502 20 0 BDADLO COC(C[N@H+](C)Cc1cccc(O)c1F)OC ZINC001233057372 978452194 /nfs/dbraw/zinc/45/21/94/978452194.db2.gz LBUCKCZMGRNJKD-UHFFFAOYSA-N 1 2 243.278 1.582 20 0 BDADLO COC(C[N@@H+](C)Cc1cccc(O)c1F)OC ZINC001233057372 978452206 /nfs/dbraw/zinc/45/22/06/978452206.db2.gz LBUCKCZMGRNJKD-UHFFFAOYSA-N 1 2 243.278 1.582 20 0 BDADLO CC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177925514 978476344 /nfs/dbraw/zinc/47/63/44/978476344.db2.gz KUGZGPICTCCYCE-KOLCDFICSA-N 1 2 235.287 1.024 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCc2[nH]ccc2C1 ZINC001177998132 978481388 /nfs/dbraw/zinc/48/13/88/978481388.db2.gz NSUJTNCFFNRRAS-UHFFFAOYSA-N 1 2 244.298 1.255 20 0 BDADLO CC(C)(O)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177998184 978482696 /nfs/dbraw/zinc/48/26/96/978482696.db2.gz MDDBXQTYFWCZMI-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO CCc1ccc(N(C)C[C@@H](O)C2CC2)[nH+]c1 ZINC001337799618 978500527 /nfs/dbraw/zinc/50/05/27/978500527.db2.gz RWRQYXVFEMSDDB-GFCCVEGCSA-N 1 2 220.316 1.851 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CCC[C@H]1C(C)=O ZINC001233258435 978516297 /nfs/dbraw/zinc/51/62/97/978516297.db2.gz FHZHBOCWICABSB-LBPRGKRZSA-N 1 2 249.310 1.954 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CCC[C@H]1C(C)=O ZINC001233258435 978516303 /nfs/dbraw/zinc/51/63/03/978516303.db2.gz FHZHBOCWICABSB-LBPRGKRZSA-N 1 2 249.310 1.954 20 0 BDADLO Nc1cc(N2CC[C@@H](c3ccco3)C2)[nH+]cn1 ZINC001337852074 978527017 /nfs/dbraw/zinc/52/70/17/978527017.db2.gz UNSVUDIYEUHQIR-SECBINFHSA-N 1 2 230.271 1.646 20 0 BDADLO CC(=O)N[C@@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337909534 978558591 /nfs/dbraw/zinc/55/85/91/978558591.db2.gz IGQYNKNKJIDTPM-LLVKDONJSA-N 1 2 237.278 1.244 20 0 BDADLO Cc1cnsc1CN1CCc2c([nH+]cn2C)C1 ZINC001233322029 978561296 /nfs/dbraw/zinc/56/12/96/978561296.db2.gz OVECJSBZOXORSK-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO O=C1CCCN(Cc2cccc3[nH+]ccn32)CC1 ZINC001233361445 978573908 /nfs/dbraw/zinc/57/39/08/978573908.db2.gz OXATXKCHSQSFGV-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCC[N@H+](Cc2cccc3nccn32)CC1 ZINC001233361445 978573915 /nfs/dbraw/zinc/57/39/15/978573915.db2.gz OXATXKCHSQSFGV-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCC[N@@H+](Cc2cccc3nccn32)CC1 ZINC001233361445 978573923 /nfs/dbraw/zinc/57/39/23/978573923.db2.gz OXATXKCHSQSFGV-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO Nc1cccc(CN2CCC(=O)[C@@H](F)CC2)[nH+]1 ZINC001233368975 978585629 /nfs/dbraw/zinc/58/56/29/978585629.db2.gz RCRNVRNADOFNLF-JTQLQIEISA-N 1 2 237.278 1.167 20 0 BDADLO C[C@H]1CC(=O)CCN1Cc1cccc(N)[nH+]1 ZINC001233368859 978585761 /nfs/dbraw/zinc/58/57/61/978585761.db2.gz KSVCSCZWFGSBDE-VIFPVBQESA-N 1 2 219.288 1.217 20 0 BDADLO CN(Cc1cncnc1)Cc1cccc(N)[nH+]1 ZINC001233372915 978587433 /nfs/dbraw/zinc/58/74/33/978587433.db2.gz LAERAWPVJMXDKA-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@H+](Cc1cc(F)c(F)cc1N)C1(C)COC1 ZINC001233381370 978593874 /nfs/dbraw/zinc/59/38/74/978593874.db2.gz AVHOVPSPLRBYLW-UHFFFAOYSA-N 1 2 242.269 1.768 20 0 BDADLO C[N@@H+](Cc1cc(F)c(F)cc1N)C1(C)COC1 ZINC001233381370 978593882 /nfs/dbraw/zinc/59/38/82/978593882.db2.gz AVHOVPSPLRBYLW-UHFFFAOYSA-N 1 2 242.269 1.768 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]1 ZINC001338041490 978597188 /nfs/dbraw/zinc/59/71/88/978597188.db2.gz AGFVTZRTISEYGB-JOYOIKCWSA-N 1 2 222.263 1.490 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ocnc2CC)c[nH+]1 ZINC001178670207 978604163 /nfs/dbraw/zinc/60/41/63/978604163.db2.gz UOOHAYITKQUQSV-UHFFFAOYSA-N 1 2 248.286 1.453 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ocnc2CC)[nH+]1 ZINC001178670207 978604169 /nfs/dbraw/zinc/60/41/69/978604169.db2.gz UOOHAYITKQUQSV-UHFFFAOYSA-N 1 2 248.286 1.453 20 0 BDADLO CCc1[nH]c(CNC(=O)C=Cc2ccc[nH]2)c[nH+]1 ZINC001178669373 978604634 /nfs/dbraw/zinc/60/46/34/978604634.db2.gz HNYCFIRTBDKTCO-AATRIKPKSA-N 1 2 244.298 1.630 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=Cc2ccc[nH]2)[nH+]1 ZINC001178669373 978604641 /nfs/dbraw/zinc/60/46/41/978604641.db2.gz HNYCFIRTBDKTCO-AATRIKPKSA-N 1 2 244.298 1.630 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cscn2)c[nH+]1 ZINC001178669090 978606500 /nfs/dbraw/zinc/60/65/00/978606500.db2.gz CRWKYYUJOQMDFD-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1c[nH]ccc1=O ZINC001338310610 978657444 /nfs/dbraw/zinc/65/74/44/978657444.db2.gz REWQBWUMPPEPMB-SNVBAGLBSA-N 1 2 249.314 1.186 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1c[nH]ccc1=O ZINC001338310610 978657449 /nfs/dbraw/zinc/65/74/49/978657449.db2.gz REWQBWUMPPEPMB-SNVBAGLBSA-N 1 2 249.314 1.186 20 0 BDADLO CN(c1nnc([C@@H]2CCCC[N@@H+]2C)n1C)C1CC1 ZINC001338415303 978676350 /nfs/dbraw/zinc/67/63/50/978676350.db2.gz ARSAFCFEJYOCKN-NSHDSACASA-N 1 2 249.362 1.571 20 0 BDADLO CN(c1nnc([C@@H]2CCCC[N@H+]2C)n1C)C1CC1 ZINC001338415303 978676354 /nfs/dbraw/zinc/67/63/54/978676354.db2.gz ARSAFCFEJYOCKN-NSHDSACASA-N 1 2 249.362 1.571 20 0 BDADLO CC[NH2+][C@@H](C)CN(C)C(=O)C(F)C(F)(F)F ZINC001277827062 978762296 /nfs/dbraw/zinc/76/22/96/978762296.db2.gz UORQMVKCPXITOX-NKWVEPMBSA-N 1 2 244.232 1.343 20 0 BDADLO CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001277827062 978762300 /nfs/dbraw/zinc/76/23/00/978762300.db2.gz UORQMVKCPXITOX-NKWVEPMBSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2nnc(CO)[nH]2)C[C@@H]1C ZINC001179842072 978762899 /nfs/dbraw/zinc/76/28/99/978762899.db2.gz AVZKBONRKVGOSB-UTLUCORTSA-N 1 2 238.335 1.211 20 0 BDADLO CCc1nocc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001338987472 978766643 /nfs/dbraw/zinc/76/66/43/978766643.db2.gz NNJYSQBHCBTHQY-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CO[C@H](C)C1 ZINC001338994234 978767568 /nfs/dbraw/zinc/76/75/68/978767568.db2.gz YDNMAWCASPHFOR-GHMZBOCLSA-N 1 2 234.299 1.484 20 0 BDADLO C[C@@H](CC(=O)NC1C[NH+](C)C1)C(F)(F)F ZINC001180091419 978810318 /nfs/dbraw/zinc/81/03/18/978810318.db2.gz XVUHHRZTRSRGDM-LURJTMIESA-N 1 2 224.226 1.005 20 0 BDADLO C=C(F)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001180110635 978819659 /nfs/dbraw/zinc/81/96/59/978819659.db2.gz BVALWRYHAZKJCO-CYBMUJFWSA-N 1 2 248.301 1.985 20 0 BDADLO C=C(F)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001180110635 978819664 /nfs/dbraw/zinc/81/96/64/978819664.db2.gz BVALWRYHAZKJCO-CYBMUJFWSA-N 1 2 248.301 1.985 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC001339458977 978855413 /nfs/dbraw/zinc/85/54/13/978855413.db2.gz NTMSKSQSVRJSQD-UHFFFAOYSA-N 1 2 245.286 1.053 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCCOC3)c(C)[nH+]1 ZINC001234608600 978872640 /nfs/dbraw/zinc/87/26/40/978872640.db2.gz HULLBTNLGYDOPD-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO Cc1cc(F)cc(N(C)[C@@H]2CCN(C)C2=O)[nH+]1 ZINC001339587986 978876689 /nfs/dbraw/zinc/87/66/89/978876689.db2.gz FEAXTTZSJTVSNX-SNVBAGLBSA-N 1 2 237.278 1.196 20 0 BDADLO Cc1nn(C)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC001339646407 978884108 /nfs/dbraw/zinc/88/41/08/978884108.db2.gz IQZNKZAOLPKKLI-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1nn(C)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC001339646407 978884112 /nfs/dbraw/zinc/88/41/12/978884112.db2.gz IQZNKZAOLPKKLI-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1cnn([C@@H]2CCN(c3cc(N)nc[nH+]3)C2)c1 ZINC001339730844 978900039 /nfs/dbraw/zinc/90/00/39/978900039.db2.gz QGYMYZWYQVPJAP-SNVBAGLBSA-N 1 2 244.302 1.015 20 0 BDADLO Cn1ccnc1CNc1ccc(N)[nH+]c1 ZINC000070854154 978922422 /nfs/dbraw/zinc/92/24/22/978922422.db2.gz ZFKHCKWGQFJQKU-UHFFFAOYSA-N 1 2 203.249 1.009 20 0 BDADLO CCOc1noc2cc(OC3C[NH+](C)C3)ccc21 ZINC001234905564 978930218 /nfs/dbraw/zinc/93/02/18/978930218.db2.gz QLAYSQRRBBBPIS-UHFFFAOYSA-N 1 2 248.282 1.919 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2cc(CO)on2)cn1 ZINC001339981971 978952608 /nfs/dbraw/zinc/95/26/08/978952608.db2.gz VELHXCUFCKHAQF-JTQLQIEISA-N 1 2 247.298 1.721 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1ncc(F)cn1 ZINC001235011196 978953394 /nfs/dbraw/zinc/95/33/94/978953394.db2.gz NLDUNWMZMIHPPF-UHFFFAOYSA-N 1 2 241.266 1.001 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1ncc(F)cn1 ZINC001235011196 978953399 /nfs/dbraw/zinc/95/33/99/978953399.db2.gz NLDUNWMZMIHPPF-UHFFFAOYSA-N 1 2 241.266 1.001 20 0 BDADLO COC(=O)c1ccnc(C[NH+]2CC=CC2)c1 ZINC001235198749 978995714 /nfs/dbraw/zinc/99/57/14/978995714.db2.gz NDKSNEDRUGTWON-UHFFFAOYSA-N 1 2 218.256 1.240 20 0 BDADLO COCCCC[S@](=O)Cc1c[nH+]cn1C ZINC001340276154 979001676 /nfs/dbraw/zinc/00/16/76/979001676.db2.gz JNPFOPPWUALHPC-HNNXBMFYSA-N 1 2 230.333 1.095 20 0 BDADLO CCc1cccc(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)n1 ZINC001235249290 979007956 /nfs/dbraw/zinc/00/79/56/979007956.db2.gz ALSDYWGOAAOCAH-STQMWFEESA-N 1 2 238.306 1.813 20 0 BDADLO CCc1cccc(C[N@H+]2C[C@H](F)[C@@H](OC)C2)n1 ZINC001235249290 979007960 /nfs/dbraw/zinc/00/79/60/979007960.db2.gz ALSDYWGOAAOCAH-STQMWFEESA-N 1 2 238.306 1.813 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001181299692 979037004 /nfs/dbraw/zinc/03/70/04/979037004.db2.gz CYDUVBBRZPZSRB-SNVBAGLBSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H](O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001181351861 979049320 /nfs/dbraw/zinc/04/93/20/979049320.db2.gz SPUXRURZBPSJIE-MRVPVSSYSA-N 1 2 219.244 1.044 20 0 BDADLO Cc1ncn(C)c1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001235540145 979058969 /nfs/dbraw/zinc/05/89/69/979058969.db2.gz HNNKKEWJQMFCRI-NXEZZACHSA-N 1 2 223.320 1.338 20 0 BDADLO C[C@H]([NH2+]Cc1nncs1)c1cccnc1 ZINC001340714211 979076930 /nfs/dbraw/zinc/07/69/30/979076930.db2.gz RBNMWKSLDVZDMB-QMMMGPOBSA-N 1 2 220.301 1.784 20 0 BDADLO Cc1ccc(Nc2c(N)cnn2CCO)c(C)[nH+]1 ZINC001203367333 979102818 /nfs/dbraw/zinc/10/28/18/979102818.db2.gz KMYDIKUJWVTMPF-UHFFFAOYSA-N 1 2 247.302 1.213 20 0 BDADLO O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC001602348574 979108878 /nfs/dbraw/zinc/10/88/78/979108878.db2.gz KBAXGVGLRNVIRP-ZDUSSCGKSA-N 1 2 248.326 1.617 20 0 BDADLO CCC[C@@H](OC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001340810422 979116294 /nfs/dbraw/zinc/11/62/94/979116294.db2.gz JOARNFFZUSCJBD-LLVKDONJSA-N 1 2 236.315 1.874 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[C@H]1CCC2 ZINC001341047511 979210939 /nfs/dbraw/zinc/21/09/39/979210939.db2.gz ZGWVRSIMBKDEHA-DMDPSCGWSA-N 1 2 233.315 1.578 20 0 BDADLO Nc1cc(-c2cnc3nonc3c2)cc[nH+]1 ZINC001236029035 979323910 /nfs/dbraw/zinc/32/39/10/979323910.db2.gz ZQWPPSAQDIPLMZ-UHFFFAOYSA-N 1 2 213.200 1.262 20 0 BDADLO CC[C@H](CC(C)C)C(=O)NC1C[NH+](C)C1 ZINC001181842605 979335196 /nfs/dbraw/zinc/33/51/96/979335196.db2.gz LRWZFMIAUNETJI-SNVBAGLBSA-N 1 2 212.337 1.489 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC001181952170 979382256 /nfs/dbraw/zinc/38/22/56/979382256.db2.gz MQXCBWHTXVCFND-SSDOTTSWSA-N 1 2 235.209 1.340 20 0 BDADLO COc1ccc(C[N@H+](C)CCO)c(Cl)c1O ZINC001236257166 979477500 /nfs/dbraw/zinc/47/75/00/979477500.db2.gz VJBLXQSXVKBDIW-UHFFFAOYSA-N 1 2 245.706 1.478 20 0 BDADLO COc1ccc(C[N@@H+](C)CCO)c(Cl)c1O ZINC001236257166 979477506 /nfs/dbraw/zinc/47/75/06/979477506.db2.gz VJBLXQSXVKBDIW-UHFFFAOYSA-N 1 2 245.706 1.478 20 0 BDADLO Sc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC001236288240 979492207 /nfs/dbraw/zinc/49/22/07/979492207.db2.gz GGYDTUYDWSTPTE-CMPLNLGQSA-N 1 2 220.341 1.379 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2C[C@@H]2C2CC2)o1 ZINC001341625429 979496682 /nfs/dbraw/zinc/49/66/82/979496682.db2.gz LAABQLKBDJKXBE-BDAKNGLRSA-N 1 2 207.277 1.645 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)CNC3=O)c[nH+]1 ZINC001236312439 979516232 /nfs/dbraw/zinc/51/62/32/979516232.db2.gz QKWWSKLTLWTXKZ-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO CNC(=O)Cc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236313423 979519521 /nfs/dbraw/zinc/51/95/21/979519521.db2.gz OIJHDPJTNAXRMT-UHFFFAOYSA-N 1 2 241.294 1.619 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1CCC[C@@H](F)C1)C(F)F ZINC001341897788 979591179 /nfs/dbraw/zinc/59/11/79/979591179.db2.gz NWEIKDZWKJRNLO-BWZBUEFSSA-N 1 2 238.253 1.366 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001182742024 979634142 /nfs/dbraw/zinc/63/41/42/979634142.db2.gz CJKHCXCYAZHTSQ-LLVKDONJSA-N 1 2 247.298 1.680 20 0 BDADLO C[C@H]([NH3+])CONC(=O)C1(c2ccccc2)CC1 ZINC001342061114 979642733 /nfs/dbraw/zinc/64/27/33/979642733.db2.gz UEUKNWKPQKQTIT-JTQLQIEISA-N 1 2 234.299 1.113 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC001182829633 979652599 /nfs/dbraw/zinc/65/25/99/979652599.db2.gz DVTZFKGAVWXVAG-NSHDSACASA-N 1 2 248.330 1.708 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC001182829633 979652605 /nfs/dbraw/zinc/65/26/05/979652605.db2.gz DVTZFKGAVWXVAG-NSHDSACASA-N 1 2 248.330 1.708 20 0 BDADLO Cc1ncn(C)c1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182828773 979654835 /nfs/dbraw/zinc/65/48/35/979654835.db2.gz KGZXOYWHVHFTLB-JTQLQIEISA-N 1 2 236.319 1.150 20 0 BDADLO Cc1ncn(C)c1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182828773 979654847 /nfs/dbraw/zinc/65/48/47/979654847.db2.gz KGZXOYWHVHFTLB-JTQLQIEISA-N 1 2 236.319 1.150 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCc3nn(C)cc3C2)o1 ZINC001236590710 979672792 /nfs/dbraw/zinc/67/27/92/979672792.db2.gz GGSADIGKFCDRFN-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCc3nn(C)cc3C2)o1 ZINC001236590710 979672796 /nfs/dbraw/zinc/67/27/96/979672796.db2.gz GGSADIGKFCDRFN-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO CC(C)(C)ONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001183029368 979702415 /nfs/dbraw/zinc/70/24/15/979702415.db2.gz IHUGLGFKAPQIPN-HTQZYQBOSA-N 1 2 223.276 1.360 20 0 BDADLO CC(C)(C)ONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001183029368 979702426 /nfs/dbraw/zinc/70/24/26/979702426.db2.gz IHUGLGFKAPQIPN-HTQZYQBOSA-N 1 2 223.276 1.360 20 0 BDADLO CCOc1cncc(C[NH+]2CC3(COC3)C2)c1 ZINC001236835064 979753682 /nfs/dbraw/zinc/75/36/82/979753682.db2.gz HBTZXVJBBQKLMI-UHFFFAOYSA-N 1 2 234.299 1.313 20 0 BDADLO CSC[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001183217312 979774883 /nfs/dbraw/zinc/77/48/83/979774883.db2.gz QOUIRSBVDVLZOZ-SECBINFHSA-N 1 2 241.360 1.078 20 0 BDADLO c1cc(C[C@H]2CCCO2)cc(N2CCOCC2)[nH+]1 ZINC001250106746 979809486 /nfs/dbraw/zinc/80/94/86/979809486.db2.gz WQDUETBQILSELC-CYBMUJFWSA-N 1 2 248.326 1.640 20 0 BDADLO Oc1cc2ccccc2c(C[NH+]2CC(O)C2)c1 ZINC001237066979 979815306 /nfs/dbraw/zinc/81/53/06/979815306.db2.gz YXBZFQSPUXRGLZ-UHFFFAOYSA-N 1 2 229.279 1.722 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2ncc(C)o2)c[nH+]1 ZINC001342500452 979816894 /nfs/dbraw/zinc/81/68/94/979816894.db2.gz MSFQVDWMFTUPSA-UHFFFAOYSA-N 1 2 248.286 1.862 20 0 BDADLO O=c1[nH]c(Cl)c(C[N@H+]2CCC[C@H](O)C2)s1 ZINC001237157418 979825605 /nfs/dbraw/zinc/82/56/05/979825605.db2.gz GKFOUGBKPBONNZ-LURJTMIESA-N 1 2 248.735 1.459 20 0 BDADLO O=c1[nH]c(Cl)c(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC001237157418 979825611 /nfs/dbraw/zinc/82/56/11/979825611.db2.gz GKFOUGBKPBONNZ-LURJTMIESA-N 1 2 248.735 1.459 20 0 BDADLO C[N@@H+]1CCc2cc(C(=O)N3CCCCO3)[nH]c2C1 ZINC001278099655 979900051 /nfs/dbraw/zinc/90/00/51/979900051.db2.gz CVLDVSKYFPBHPB-UHFFFAOYSA-N 1 2 249.314 1.170 20 0 BDADLO C[N@H+]1CCc2cc(C(=O)N3CCCCO3)[nH]c2C1 ZINC001278099655 979900071 /nfs/dbraw/zinc/90/00/71/979900071.db2.gz CVLDVSKYFPBHPB-UHFFFAOYSA-N 1 2 249.314 1.170 20 0 BDADLO CC/C=C/NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935929 979901222 /nfs/dbraw/zinc/90/12/22/979901222.db2.gz MRYYOIFWOFAEQV-FPYGCLRLSA-N 1 2 219.288 1.636 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001237588221 979944562 /nfs/dbraw/zinc/94/45/62/979944562.db2.gz NNFQRHGRYQWQDK-KOLCDFICSA-N 1 2 211.284 1.693 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001237588221 979944568 /nfs/dbraw/zinc/94/45/68/979944568.db2.gz NNFQRHGRYQWQDK-KOLCDFICSA-N 1 2 211.284 1.693 20 0 BDADLO CCn1cncc1C[N@@H+]1CCCC12COC2 ZINC001237589393 979949770 /nfs/dbraw/zinc/94/97/70/979949770.db2.gz CLDCRTKJJBGQBQ-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CCn1cncc1C[N@H+]1CCCC12COC2 ZINC001237589393 979949782 /nfs/dbraw/zinc/94/97/82/979949782.db2.gz CLDCRTKJJBGQBQ-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CC(C)C[NH+](Cc1nc[nH]n1)CC(C)C ZINC001237603712 979968203 /nfs/dbraw/zinc/96/82/03/979968203.db2.gz WXICZGBEHNNGBI-UHFFFAOYSA-N 1 2 210.325 1.919 20 0 BDADLO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nnc[nH]1 ZINC001237609703 979971796 /nfs/dbraw/zinc/97/17/96/979971796.db2.gz ZLCZITGOSXUNAM-VIFPVBQESA-N 1 2 224.308 1.194 20 0 BDADLO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1nnc[nH]1 ZINC001237609703 979971805 /nfs/dbraw/zinc/97/18/05/979971805.db2.gz ZLCZITGOSXUNAM-VIFPVBQESA-N 1 2 224.308 1.194 20 0 BDADLO CCOC(=O)CCN(C)c1nccn2c[nH+]cc12 ZINC001343140173 980021455 /nfs/dbraw/zinc/02/14/55/980021455.db2.gz QDKWGGJZFGGCLT-UHFFFAOYSA-N 1 2 248.286 1.119 20 0 BDADLO COc1ccncc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001343409809 980098053 /nfs/dbraw/zinc/09/80/53/980098053.db2.gz SJALKKXDHMEQGB-ZCFIWIBFSA-N 1 2 245.229 1.011 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC001343457424 980113725 /nfs/dbraw/zinc/11/37/25/980113725.db2.gz QFFPQNDLBMMRRA-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cc(C[NH2+]CCn2cc[nH+]c2)[nH]c1C(=O)[O-] ZINC001607650261 980122223 /nfs/dbraw/zinc/12/22/23/980122223.db2.gz RVOPRLGIYOFCMB-UHFFFAOYSA-N 1 2 248.286 1.008 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(O)ccc2C)C[C@@H]1F ZINC001238092697 980142022 /nfs/dbraw/zinc/14/20/22/980142022.db2.gz JIYBVSMQJBOOQG-STQMWFEESA-N 1 2 239.290 1.869 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(O)ccc2C)C[C@@H]1F ZINC001238092697 980142027 /nfs/dbraw/zinc/14/20/27/980142027.db2.gz JIYBVSMQJBOOQG-STQMWFEESA-N 1 2 239.290 1.869 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CC1(C)CCC1 ZINC001185112269 980179757 /nfs/dbraw/zinc/17/97/57/980179757.db2.gz LBZPUOYYNQFJGJ-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CN(C)c1ccc(C[C@@H]2COC(C)(C)O2)c[nH+]1 ZINC001250183486 980197728 /nfs/dbraw/zinc/19/77/28/980197728.db2.gz PZYQGPFECCGSGK-LLVKDONJSA-N 1 2 236.315 1.842 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cncnc1C)C2 ZINC001238175570 980204764 /nfs/dbraw/zinc/20/47/64/980204764.db2.gz NASWBDRBGYKYAK-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cncnc1C)C2 ZINC001238175570 980204772 /nfs/dbraw/zinc/20/47/72/980204772.db2.gz NASWBDRBGYKYAK-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ncncc1C[NH+]1CC(C(F)F)C1 ZINC001238172227 980206683 /nfs/dbraw/zinc/20/66/83/980206683.db2.gz DEFIOWMCXRCASK-UHFFFAOYSA-N 1 2 213.231 1.482 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H]2C)c(C)c1 ZINC001238426899 980258475 /nfs/dbraw/zinc/25/84/75/980258475.db2.gz OLAZORKRNZFVRF-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H]2C)c(C)c1 ZINC001238426899 980258483 /nfs/dbraw/zinc/25/84/83/980258483.db2.gz OLAZORKRNZFVRF-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO COc1c(C[N@@H+]2CC[C@@H](O)C2)ccc(F)c1F ZINC001238474825 980276413 /nfs/dbraw/zinc/27/64/13/980276413.db2.gz LTHYVDBJZZVAAO-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO COc1c(C[N@H+]2CC[C@@H](O)C2)ccc(F)c1F ZINC001238474825 980276422 /nfs/dbraw/zinc/27/64/22/980276422.db2.gz LTHYVDBJZZVAAO-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)o1 ZINC001278248349 980288713 /nfs/dbraw/zinc/28/87/13/980288713.db2.gz AFSVNELLXFECLJ-TVQRCGJNSA-N 1 2 234.299 1.292 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(N)=O)o1 ZINC001278248349 980288728 /nfs/dbraw/zinc/28/87/28/980288728.db2.gz AFSVNELLXFECLJ-TVQRCGJNSA-N 1 2 234.299 1.292 20 0 BDADLO Cc1cncnc1NCc1ccc(N)[nH+]c1 ZINC001186157665 980340429 /nfs/dbraw/zinc/34/04/29/980340429.db2.gz UDFPSDPGUINQMC-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO CCN(C(=O)c1ccc(O)cc1C)C1C[NH+](C)C1 ZINC001186182279 980344142 /nfs/dbraw/zinc/34/41/42/980344142.db2.gz VWQMEKDYZHKNRD-UHFFFAOYSA-N 1 2 248.326 1.477 20 0 BDADLO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001344333621 980372581 /nfs/dbraw/zinc/37/25/81/980372581.db2.gz DAOJMGRKXCMENZ-ZWNOBZJWSA-N 1 2 243.347 1.731 20 0 BDADLO O=C(NCc1c[nH+]cn1CCF)NCC1CC1 ZINC001186642060 980424859 /nfs/dbraw/zinc/42/48/59/980424859.db2.gz HSBXLROKAUFAIH-UHFFFAOYSA-N 1 2 240.282 1.062 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1oc(C)nc1C ZINC001344970665 980510175 /nfs/dbraw/zinc/51/01/75/980510175.db2.gz DBWYTCRIAMYMOK-UHFFFAOYSA-N 1 2 249.270 1.865 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)c1ncc[nH]1 ZINC001187742702 980548165 /nfs/dbraw/zinc/54/81/65/980548165.db2.gz UNFKXYLZHLFMGN-UHFFFAOYSA-N 1 2 245.286 1.261 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)cn1C ZINC001188084443 980590624 /nfs/dbraw/zinc/59/06/24/980590624.db2.gz UEMNZSOTBLGYSP-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO Cc1[nH]ccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001188159173 980621893 /nfs/dbraw/zinc/62/18/93/980621893.db2.gz JIKLKXCCJAZEJN-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1[nH]ccc1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001188156328 980622494 /nfs/dbraw/zinc/62/24/94/980622494.db2.gz MBTDDAAOFFMUHN-UHFFFAOYSA-N 1 2 244.298 1.218 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1C[C@@H]1F ZINC001345608915 980646369 /nfs/dbraw/zinc/64/63/69/980646369.db2.gz BLUAZPSXQRNBKC-BDAKNGLRSA-N 1 2 212.224 1.304 20 0 BDADLO FC(F)n1cc(CC[NH+]2CCOCC2)cn1 ZINC001250277298 980651635 /nfs/dbraw/zinc/65/16/35/980651635.db2.gz BYCRKXIDQJSQIR-UHFFFAOYSA-N 1 2 231.246 1.153 20 0 BDADLO C[N@H+](CC(=O)OC[C@H]1CCO1)Cc1ccccc1 ZINC001346033969 980735705 /nfs/dbraw/zinc/73/57/05/980735705.db2.gz BQOYNDSEGLVTRS-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO C[N@@H+](CC(=O)OC[C@H]1CCO1)Cc1ccccc1 ZINC001346033969 980735712 /nfs/dbraw/zinc/73/57/12/980735712.db2.gz BQOYNDSEGLVTRS-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CCCCC1 ZINC001346061867 980744410 /nfs/dbraw/zinc/74/44/10/980744410.db2.gz WHMDIJFPDKSBTA-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO CC(C)[C@]1(CO)CCN(c2cccc[nH+]2)C1 ZINC000335292919 980748805 /nfs/dbraw/zinc/74/88/05/980748805.db2.gz CALAOMFRQHRAJM-CYBMUJFWSA-N 1 2 220.316 1.926 20 0 BDADLO Nc1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250315016 980754815 /nfs/dbraw/zinc/75/48/15/980754815.db2.gz BIVIZMSXNMJHFQ-UHFFFAOYSA-N 1 2 205.236 1.847 20 0 BDADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nncn2C)cnn1C ZINC001346217239 980789230 /nfs/dbraw/zinc/78/92/30/980789230.db2.gz KPNFCOMHRDDJBC-DTWKUNHWSA-N 1 2 248.334 1.269 20 0 BDADLO COc1ncc(-c2c[nH+]cn2C)cc1N ZINC001239635244 980823345 /nfs/dbraw/zinc/82/33/45/980823345.db2.gz WZXLXHDUSHTYAQ-UHFFFAOYSA-N 1 2 204.233 1.073 20 0 BDADLO CC(C)(COC(=O)C12CC(C1)C2)n1cc[nH+]c1 ZINC001346607692 980869148 /nfs/dbraw/zinc/86/91/48/980869148.db2.gz BXQAKOHHHMFCQJ-UHFFFAOYSA-N 1 2 234.299 1.962 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1(C)CC1 ZINC001346614580 980870360 /nfs/dbraw/zinc/87/03/60/980870360.db2.gz SZGZHKCSYSHMCR-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CCSC1 ZINC001346746968 980898209 /nfs/dbraw/zinc/89/82/09/980898209.db2.gz JCUFVOKSPUOOST-VIFPVBQESA-N 1 2 240.328 1.699 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001346823093 980916546 /nfs/dbraw/zinc/91/65/46/980916546.db2.gz MWJQISBNPKLZQQ-NWDGAFQWSA-N 1 2 234.299 1.566 20 0 BDADLO C[C@@H](SCCn1cc[nH+]c1)c1nncn1C ZINC001346904153 980931316 /nfs/dbraw/zinc/93/13/16/980931316.db2.gz HORPPOVURFKYFA-SECBINFHSA-N 1 2 237.332 1.506 20 0 BDADLO COc1c(C)cc(C(=O)NC2C[NH+](C)C2)cc1C ZINC001191079448 980966975 /nfs/dbraw/zinc/96/69/75/980966975.db2.gz SOPPKWMZGXLLOH-UHFFFAOYSA-N 1 2 248.326 1.356 20 0 BDADLO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001347104042 980973605 /nfs/dbraw/zinc/97/36/05/980973605.db2.gz JQBFGUWLQUYZTL-RKDXNWHRSA-N 1 2 226.349 1.521 20 0 BDADLO CS(=O)(=O)c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001239834326 980975030 /nfs/dbraw/zinc/97/50/30/980975030.db2.gz LUTFCEXRCFOSFR-UHFFFAOYSA-N 1 2 248.307 1.734 20 0 BDADLO CNC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001239853381 980991596 /nfs/dbraw/zinc/99/15/96/980991596.db2.gz PLWMFZFXXCLDAF-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCc1ccccn1 ZINC001347228409 981014897 /nfs/dbraw/zinc/01/48/97/981014897.db2.gz SLEHXKZLSJOKJD-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO Cc1ccc(-c2cccc(C(N)=O)c2)[nH+]c1N ZINC001239881525 981014990 /nfs/dbraw/zinc/01/49/90/981014990.db2.gz FTIDSAXDCBKXNN-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO CNc1cc(-c2cccc(C(N)=O)c2)cc[nH+]1 ZINC001239885903 981019112 /nfs/dbraw/zinc/01/91/12/981019112.db2.gz STEWKLUOYYTCLK-UHFFFAOYSA-N 1 2 227.267 1.889 20 0 BDADLO CCOC[C@H]1CC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001191473503 981036499 /nfs/dbraw/zinc/03/64/99/981036499.db2.gz FCBRIFSZVAZCLK-UWVGGRQHSA-N 1 2 241.360 1.958 20 0 BDADLO CCOC[C@H]1CC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001191473503 981036504 /nfs/dbraw/zinc/03/65/04/981036504.db2.gz FCBRIFSZVAZCLK-UWVGGRQHSA-N 1 2 241.360 1.958 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001347336623 981050096 /nfs/dbraw/zinc/05/00/96/981050096.db2.gz XKBAXSWHXSLZCN-LLVKDONJSA-N 1 2 237.347 2.000 20 0 BDADLO O=C(NCc1c[nH+]cn1CC1CC1)NC1CC1 ZINC001191505550 981059314 /nfs/dbraw/zinc/05/93/14/981059314.db2.gz AKDRPNJGTHUNFR-UHFFFAOYSA-N 1 2 234.303 1.255 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC1CC=CC1 ZINC001347418240 981074869 /nfs/dbraw/zinc/07/48/69/981074869.db2.gz INOKQQUQPXJBGY-UHFFFAOYSA-N 1 2 247.342 1.825 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)n1cccc1 ZINC001347420868 981075467 /nfs/dbraw/zinc/07/54/67/981075467.db2.gz BGMVSHRWNMMHCT-LLVKDONJSA-N 1 2 244.298 1.288 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001347478320 981089172 /nfs/dbraw/zinc/08/91/72/981089172.db2.gz VMKDRZFPUAEOQO-GRYCIOLGSA-N 1 2 247.342 1.658 20 0 BDADLO Cc1[nH]nc(NC(=O)CCc2[nH+]ccn2C)c1C ZINC001347591204 981122945 /nfs/dbraw/zinc/12/29/45/981122945.db2.gz BANNMURLRUZUMR-UHFFFAOYSA-N 1 2 247.302 1.331 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NOC/C=C\Cl ZINC001347608753 981126747 /nfs/dbraw/zinc/12/67/47/981126747.db2.gz OEOIYWBAUDWKFO-DJWKRKHSSA-N 1 2 243.694 1.153 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001347735381 981157723 /nfs/dbraw/zinc/15/77/23/981157723.db2.gz IZJIQVCWMQXBOW-QJPTWQEYSA-N 1 2 247.342 1.515 20 0 BDADLO COCc1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240213934 981161303 /nfs/dbraw/zinc/16/13/03/981161303.db2.gz IBBZZAVUHXAWNF-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO NC(=O)c1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214041 981161692 /nfs/dbraw/zinc/16/16/92/981161692.db2.gz KPLKNUFWTOXLEB-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO Cn1ncc(-c2ccc3[nH+]ccn3c2)cc1=O ZINC001240217894 981165888 /nfs/dbraw/zinc/16/58/88/981165888.db2.gz PTKPDTMLRCYVGT-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO COCc1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240217403 981168041 /nfs/dbraw/zinc/16/80/41/981168041.db2.gz OTBMAELBYADLEM-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO Cn1nccc(-c2ccc3[nH+]ccn3c2)c1=O ZINC001240221062 981176540 /nfs/dbraw/zinc/17/65/40/981176540.db2.gz FNJJHLYIISIOON-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1ccncn1 ZINC001250493291 981198624 /nfs/dbraw/zinc/19/86/24/981198624.db2.gz PLAFKRHPHHFNLB-UHFFFAOYSA-N 1 2 214.272 1.913 20 0 BDADLO C[C@H](C(=O)N1CCC[C@](C)(F)C1)n1cc[nH+]c1 ZINC001347860189 981201831 /nfs/dbraw/zinc/20/18/31/981201831.db2.gz CILRJYKQUGVWHO-PWSUYJOCSA-N 1 2 239.294 1.795 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001348186963 981305750 /nfs/dbraw/zinc/30/57/50/981305750.db2.gz CMOYXHORQUVUGS-NEPJUHHUSA-N 1 2 249.358 1.857 20 0 BDADLO CCc1[nH]ccc1C(=O)NCCc1[nH+]ccn1C ZINC001348253974 981319264 /nfs/dbraw/zinc/31/92/64/981319264.db2.gz DTGTUNDSCGYHSM-UHFFFAOYSA-N 1 2 246.314 1.283 20 0 BDADLO COC(=O)c1ccc(-c2c[nH+]cn2C)cc1OC ZINC001240445170 981390403 /nfs/dbraw/zinc/39/04/03/981390403.db2.gz MFBPVWVXECEEBU-UHFFFAOYSA-N 1 2 246.266 1.882 20 0 BDADLO CC(C)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001348680775 981418896 /nfs/dbraw/zinc/41/88/96/981418896.db2.gz UKWAFYSTAAPWKZ-UHFFFAOYSA-N 1 2 235.331 1.782 20 0 BDADLO c1cn2ccc(-c3cncc4nnoc43)cc2[nH+]1 ZINC001240518045 981447316 /nfs/dbraw/zinc/44/73/16/981447316.db2.gz MBOKLMOIDIPUAZ-UHFFFAOYSA-N 1 2 237.222 1.933 20 0 BDADLO CC(C)COC(=O)N1CCc2[nH+]ccn2CC1 ZINC001193829920 981465511 /nfs/dbraw/zinc/46/55/11/981465511.db2.gz OOOQOBRLAWFNIG-UHFFFAOYSA-N 1 2 237.303 1.534 20 0 BDADLO CCCOC(=O)N1CCc2[nH+]ccn2CC1 ZINC001194109463 981554336 /nfs/dbraw/zinc/55/43/36/981554336.db2.gz LYGNKKJDJOBNCH-UHFFFAOYSA-N 1 2 223.276 1.288 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[C@@H]1F ZINC001349575570 981581151 /nfs/dbraw/zinc/58/11/51/981581151.db2.gz VBEHHSZUTPTISI-IUCAKERBSA-N 1 2 219.219 1.631 20 0 BDADLO Cc1cc(C[NH+]2CCC([C@@H](C)CO)CC2)n[nH]1 ZINC001349570967 981582301 /nfs/dbraw/zinc/58/23/01/981582301.db2.gz XAOCKTNJQSYWMA-JTQLQIEISA-N 1 2 237.347 1.559 20 0 BDADLO Oc1ccc(F)cc1-c1nccc(C2C[NH2+]C2)n1 ZINC001240696720 981607556 /nfs/dbraw/zinc/60/75/56/981607556.db2.gz WICKOOIRLQXTNW-UHFFFAOYSA-N 1 2 245.257 1.675 20 0 BDADLO CCOC(=O)C[C@@H](C)Nc1cc[nH+]c(CC)n1 ZINC001349996285 981840067 /nfs/dbraw/zinc/84/00/67/981840067.db2.gz XKKAZEQHZLXXGI-SECBINFHSA-N 1 2 237.303 1.793 20 0 BDADLO CC(C)=C(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001584478149 981874253 /nfs/dbraw/zinc/87/42/53/981874253.db2.gz HVBVKHDCZJLQNC-UHFFFAOYSA-N 1 2 221.304 1.435 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cccnn2)c[nH+]1 ZINC001585011339 981901663 /nfs/dbraw/zinc/90/16/63/981901663.db2.gz DBPDKHBCASNSAJ-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO Cc1cc(-c2cc[nH+]c3c2CCN3)n(C)n1 ZINC001240862103 981901982 /nfs/dbraw/zinc/90/19/82/981901982.db2.gz DXMBYVYYZHXPPH-UHFFFAOYSA-N 1 2 214.272 1.759 20 0 BDADLO CC[C@H](C)COC(=O)NC1C[NH+](C)C1 ZINC001194819270 981912709 /nfs/dbraw/zinc/91/27/09/981912709.db2.gz DFOWKEGKKBXYMN-QMMMGPOBSA-N 1 2 200.282 1.073 20 0 BDADLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)sn1 ZINC001586091364 981965510 /nfs/dbraw/zinc/96/55/10/981965510.db2.gz OAKPNDNKKAECNA-UHFFFAOYSA-N 1 2 249.295 1.529 20 0 BDADLO C/C(=C\C(=O)NCCc1[nH]cc[nH+]1)c1ccco1 ZINC001586295386 981986646 /nfs/dbraw/zinc/98/66/46/981986646.db2.gz ITEWISXIDCCBSS-MDZDMXLPSA-N 1 2 245.282 1.765 20 0 BDADLO CC(C)N(C(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC001586659689 982009011 /nfs/dbraw/zinc/00/90/11/982009011.db2.gz XIWHOYRRRPQDMS-UHFFFAOYSA-N 1 2 235.331 1.752 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)OCCF ZINC001194994026 982022898 /nfs/dbraw/zinc/02/28/98/982022898.db2.gz DIWUZMIAJAVOIC-UHFFFAOYSA-N 1 2 228.223 1.156 20 0 BDADLO CCOc1ccc(OC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001587401184 982068875 /nfs/dbraw/zinc/06/88/75/982068875.db2.gz SCTYIWXZBYAYAL-UHFFFAOYSA-N 1 2 246.266 1.957 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc(N2CCOCC2)nc1 ZINC001240995559 982079789 /nfs/dbraw/zinc/07/97/89/982079789.db2.gz HUWYAMNDYSZVLF-NXADRHRGSA-N 1 2 245.326 1.794 20 0 BDADLO CCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001350951162 982132848 /nfs/dbraw/zinc/13/28/48/982132848.db2.gz FLXCZYRXYUQJOB-UHFFFAOYSA-N 1 2 221.304 1.536 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(CO)on1 ZINC001350959391 982139537 /nfs/dbraw/zinc/13/95/37/982139537.db2.gz YTXWMSBCQPXWND-JGVFFNPUSA-N 1 2 236.275 1.302 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)o1 ZINC001203300745 982169599 /nfs/dbraw/zinc/16/95/99/982169599.db2.gz SCUQNYHJVBILIN-UHFFFAOYSA-N 1 2 248.326 1.833 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)o1 ZINC001203300745 982169610 /nfs/dbraw/zinc/16/96/10/982169610.db2.gz SCUQNYHJVBILIN-UHFFFAOYSA-N 1 2 248.326 1.833 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001351161222 982225377 /nfs/dbraw/zinc/22/53/77/982225377.db2.gz FDESCYSCQHUXEK-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001351161222 982225387 /nfs/dbraw/zinc/22/53/87/982225387.db2.gz FDESCYSCQHUXEK-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO COC(=O)c1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241162006 982300801 /nfs/dbraw/zinc/30/08/01/982300801.db2.gz FNMPFHRIXMZWAF-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCc1[nH+]ccn1C ZINC001195503583 982301921 /nfs/dbraw/zinc/30/19/21/982301921.db2.gz LSNNGHYUSSNJGQ-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1c(-c2cc[nH+]c(N)c2)cnc2nccnc12 ZINC001241162803 982302489 /nfs/dbraw/zinc/30/24/89/982302489.db2.gz MLARFQPVKIELIR-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO COC(=O)c1ccc(N)c(-c2cc[nH+]c(N)c2)c1 ZINC001241164168 982309288 /nfs/dbraw/zinc/30/92/88/982309288.db2.gz WWAJTJUTQKADLA-UHFFFAOYSA-N 1 2 243.266 1.700 20 0 BDADLO Nc1cc(-c2ccc(=O)n(CC3CC3)c2)cc[nH+]1 ZINC001241170635 982316241 /nfs/dbraw/zinc/31/62/41/982316241.db2.gz SXYVBQNRUUVIRF-UHFFFAOYSA-N 1 2 241.294 1.903 20 0 BDADLO COCCn1cc(-c2cc[nH+]c(N)c2)ccc1=O ZINC001241170105 982317513 /nfs/dbraw/zinc/31/75/13/982317513.db2.gz IVJIPFVFJNTNNU-UHFFFAOYSA-N 1 2 245.282 1.139 20 0 BDADLO CC[C@H](C)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195666712 982332802 /nfs/dbraw/zinc/33/28/02/982332802.db2.gz BQVDQXDCVYJDPA-LBPRGKRZSA-N 1 2 244.354 1.926 20 0 BDADLO CC[C@H](C)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195666712 982332814 /nfs/dbraw/zinc/33/28/14/982332814.db2.gz BQVDQXDCVYJDPA-LBPRGKRZSA-N 1 2 244.354 1.926 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1(C)CC1 ZINC001351657738 982353885 /nfs/dbraw/zinc/35/38/85/982353885.db2.gz RZGHATBSGDSKDI-NXEZZACHSA-N 1 2 248.330 1.296 20 0 BDADLO CN(C)C(=O)OCCn1c[nH+]c(C(C)(C)C)c1 ZINC001351782955 982384117 /nfs/dbraw/zinc/38/41/17/982384117.db2.gz STMMUONZZPUQRS-UHFFFAOYSA-N 1 2 239.319 1.879 20 0 BDADLO O[C@H](C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1)C(F)(F)F ZINC001250965096 982399640 /nfs/dbraw/zinc/39/96/40/982399640.db2.gz QFXGINXBNAYAOX-RULNZFCNSA-N 1 2 227.201 1.199 20 0 BDADLO O[C@H](C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1)C(F)(F)F ZINC001250965096 982399644 /nfs/dbraw/zinc/39/96/44/982399644.db2.gz QFXGINXBNAYAOX-RULNZFCNSA-N 1 2 227.201 1.199 20 0 BDADLO CC[C@@](C)(O)CNc1cc(N(C)C)nc[nH+]1 ZINC001351964044 982419995 /nfs/dbraw/zinc/41/99/95/982419995.db2.gz UABVERUBDRUVIO-LLVKDONJSA-N 1 2 224.308 1.116 20 0 BDADLO CC[C@@](C)(O)CNc1cc(N(C)C)[nH+]cn1 ZINC001351964044 982420006 /nfs/dbraw/zinc/42/00/06/982420006.db2.gz UABVERUBDRUVIO-LLVKDONJSA-N 1 2 224.308 1.116 20 0 BDADLO CN(Cc1ccon1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001352214799 982490223 /nfs/dbraw/zinc/49/02/23/982490223.db2.gz ALTFMDRGVZRLNC-NXEZZACHSA-N 1 2 246.270 1.160 20 0 BDADLO CN(Cc1ccon1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001352214799 982490230 /nfs/dbraw/zinc/49/02/30/982490230.db2.gz ALTFMDRGVZRLNC-NXEZZACHSA-N 1 2 246.270 1.160 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1nncs1 ZINC001352227353 982494203 /nfs/dbraw/zinc/49/42/03/982494203.db2.gz CDVDTXNSKOQGIP-RNFRBKRXSA-N 1 2 249.299 1.028 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1nncs1 ZINC001352227353 982494208 /nfs/dbraw/zinc/49/42/08/982494208.db2.gz CDVDTXNSKOQGIP-RNFRBKRXSA-N 1 2 249.299 1.028 20 0 BDADLO COC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000080983783 982531180 /nfs/dbraw/zinc/53/11/80/982531180.db2.gz PBXBSHRXAWYIMR-UHFFFAOYSA-N 1 2 235.287 1.360 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2Cc3cn[nH]c3C[C@@H](C)C2)O1 ZINC001197787029 982591900 /nfs/dbraw/zinc/59/19/00/982591900.db2.gz TWTWKHYISVHSKJ-WZRBSPASSA-N 1 2 249.358 1.971 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[O-] ZINC001589068154 982594911 /nfs/dbraw/zinc/59/49/11/982594911.db2.gz USCZEKZHYMTSMN-WOPDTQHZSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[O-] ZINC001589068154 982594927 /nfs/dbraw/zinc/59/49/27/982594927.db2.gz USCZEKZHYMTSMN-WOPDTQHZSA-N 1 2 240.347 1.314 20 0 BDADLO C[NH+]1CC(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001197822654 982610740 /nfs/dbraw/zinc/61/07/40/982610740.db2.gz LGHXJPVCKXZVAG-UHFFFAOYSA-N 1 2 240.253 1.668 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1CC(C)(C)C1 ZINC001352878682 982622709 /nfs/dbraw/zinc/62/27/09/982622709.db2.gz SGLNJDOUFHFGQJ-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1cnccn1 ZINC001352900916 982629371 /nfs/dbraw/zinc/62/93/71/982629371.db2.gz PRBTVIXAXHHKOI-UWVGGRQHSA-N 1 2 245.286 1.112 20 0 BDADLO COC[C@](C)(CO)[NH2+]Cc1ncoc1C(C)C ZINC001352918166 982636763 /nfs/dbraw/zinc/63/67/63/982636763.db2.gz XKZGTHQCOSPGMH-LBPRGKRZSA-N 1 2 242.319 1.285 20 0 BDADLO C=CS(=O)(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001198556564 982778738 /nfs/dbraw/zinc/77/87/38/982778738.db2.gz XIJBQPJRAHSKED-UHFFFAOYSA-N 1 2 237.284 1.528 20 0 BDADLO C=C/C=C/CCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001353227611 982791383 /nfs/dbraw/zinc/79/13/83/982791383.db2.gz HNGZCZIRQWOQPM-BTDICHCPSA-N 1 2 239.315 1.383 20 0 BDADLO C=C/C=C/CCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001353227611 982791394 /nfs/dbraw/zinc/79/13/94/982791394.db2.gz HNGZCZIRQWOQPM-BTDICHCPSA-N 1 2 239.315 1.383 20 0 BDADLO CSc1cccnc1NC(=O)Cn1cc[nH+]c1 ZINC001300262290 982835684 /nfs/dbraw/zinc/83/56/84/982835684.db2.gz YPFXOAXNYJXYME-UHFFFAOYSA-N 1 2 248.311 1.639 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cc(C3CC3)no2)cn1 ZINC001353558622 982891230 /nfs/dbraw/zinc/89/12/30/982891230.db2.gz AYQHCFIGIAMZQV-UHFFFAOYSA-N 1 2 244.298 1.940 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc(N)nc1C(F)(F)F ZINC001241650417 982891798 /nfs/dbraw/zinc/89/17/98/982891798.db2.gz CVSMRACZKSXXAK-PIXFVPMGSA-N 1 2 244.220 1.953 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)c(O)c1 ZINC001353668433 982961197 /nfs/dbraw/zinc/96/11/97/982961197.db2.gz YLPTVGIKUCSVAU-ZETCQYMHSA-N 1 2 244.241 1.622 20 0 BDADLO Cc1nc(N(C)CCNC(=O)C2(C)CC2)cc[nH+]1 ZINC001100372785 982964950 /nfs/dbraw/zinc/96/49/50/982964950.db2.gz HRHCPNPKHCPBQP-UHFFFAOYSA-N 1 2 248.330 1.138 20 0 BDADLO Cc1c(Cl)onc1C(=O)N1CC[NH+](C)CC1 ZINC001199669440 982972052 /nfs/dbraw/zinc/97/20/52/982972052.db2.gz BVRURXMDLBWQSG-UHFFFAOYSA-N 1 2 243.694 1.024 20 0 BDADLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C1(C)C ZINC001353886620 983054386 /nfs/dbraw/zinc/05/43/86/983054386.db2.gz LTDBRFOAESSYOG-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO CCC1CCN(c2cc(N)nc[nH+]2)CC1 ZINC000082426634 983071341 /nfs/dbraw/zinc/07/13/41/983071341.db2.gz XVOCUMAIPNZEHS-UHFFFAOYSA-N 1 2 206.293 1.685 20 0 BDADLO Cc1cc(NC(=S)NC2CC2)cc[nH+]1 ZINC001200618837 983095108 /nfs/dbraw/zinc/09/51/08/983095108.db2.gz YEZGSFAWNSEEKX-UHFFFAOYSA-N 1 2 207.302 1.261 20 0 BDADLO CN1CC[C@@]2(CCC[N@H+](CC(F)F)CC2)C1=O ZINC001273849110 983096732 /nfs/dbraw/zinc/09/67/32/983096732.db2.gz VWHAJTNULQSQFU-GFCCVEGCSA-N 1 2 246.301 1.586 20 0 BDADLO CN1CC[C@@]2(CCC[N@@H+](CC(F)F)CC2)C1=O ZINC001273849110 983096748 /nfs/dbraw/zinc/09/67/48/983096748.db2.gz VWHAJTNULQSQFU-GFCCVEGCSA-N 1 2 246.301 1.586 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cscn2)cc1 ZINC001241892600 983110353 /nfs/dbraw/zinc/11/03/53/983110353.db2.gz LJWDRSBJRCMPIH-NSHDSACASA-N 1 2 248.307 1.983 20 0 BDADLO Nc1ccc(Nc2cnc3cnccn32)c[nH+]1 ZINC001201280000 983158633 /nfs/dbraw/zinc/15/86/33/983158633.db2.gz WZAKPVVGMNAVQL-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO Cc1c[nH]c(=O)cc1Nc1ccc(N)[nH+]c1 ZINC001201279707 983158949 /nfs/dbraw/zinc/15/89/49/983158949.db2.gz YTRFHTVFMQAQSZ-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(N)nc1 ZINC001201286954 983163949 /nfs/dbraw/zinc/16/39/49/983163949.db2.gz JURULFYEEUKEAP-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO Nc1ccc2ncn(-c3ccc(N)[nH+]c3)c2c1 ZINC001201286947 983164083 /nfs/dbraw/zinc/16/40/83/983164083.db2.gz JLTVPUNJYRCKCH-UHFFFAOYSA-N 1 2 225.255 1.585 20 0 BDADLO Cn1nnc2cc(Nc3ccc(N)[nH+]c3)ccc21 ZINC001201287038 983166869 /nfs/dbraw/zinc/16/68/69/983166869.db2.gz PMANRTJCHILRKB-UHFFFAOYSA-N 1 2 240.270 1.689 20 0 BDADLO CC(C)c1nnc(Nc2ccc(N)[nH+]c2)o1 ZINC001201272393 983173910 /nfs/dbraw/zinc/17/39/10/983173910.db2.gz MRGAEAGXIYYHMV-UHFFFAOYSA-N 1 2 219.248 1.914 20 0 BDADLO COc1cc(Nc2ccc(N)[nH+]c2)ncn1 ZINC001201272363 983174290 /nfs/dbraw/zinc/17/42/90/983174290.db2.gz LKKHFZLYRWCKTL-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO Nc1ccc(Nc2noc3cccnc32)c[nH+]1 ZINC001201272724 983174319 /nfs/dbraw/zinc/17/43/19/983174319.db2.gz TYHMQCRLGQAFEH-UHFFFAOYSA-N 1 2 227.227 1.944 20 0 BDADLO Nc1ccc(Nc2cnc3cccnn32)c[nH+]1 ZINC001201278153 983176230 /nfs/dbraw/zinc/17/62/30/983176230.db2.gz CFWAWSNMSPGRNM-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO COc1nc(C)ncc1Nc1ccc(N)[nH+]c1 ZINC001201278175 983179400 /nfs/dbraw/zinc/17/94/00/983179400.db2.gz DFEDGVPOUYLOCX-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO Cc1cc(F)cc(N2CCOC[C@H]2C)[nH+]1 ZINC001354177454 983184185 /nfs/dbraw/zinc/18/41/85/983184185.db2.gz AQXBJGZLTGSSOG-SECBINFHSA-N 1 2 210.252 1.754 20 0 BDADLO c1c[nH]c(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC001242015348 983210940 /nfs/dbraw/zinc/21/09/40/983210940.db2.gz AVDLPYZCXOEYPJ-UHFFFAOYSA-N 1 2 211.228 1.657 20 0 BDADLO C[C@@H]([NH3+])C[N@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959631 983228195 /nfs/dbraw/zinc/22/81/95/983228195.db2.gz WFQRQDOUJWXKST-LDYMZIIASA-N 1 2 240.278 1.230 20 0 BDADLO C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959631 983228203 /nfs/dbraw/zinc/22/82/03/983228203.db2.gz WFQRQDOUJWXKST-LDYMZIIASA-N 1 2 240.278 1.230 20 0 BDADLO CCCC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001252075922 983233141 /nfs/dbraw/zinc/23/31/41/983233141.db2.gz FGYPANFWQCZQQC-JTQLQIEISA-N 1 2 209.293 1.748 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)o1 ZINC001354266607 983240655 /nfs/dbraw/zinc/24/06/55/983240655.db2.gz QTIOLBUNGICYOG-WDEREUQCSA-N 1 2 238.335 1.029 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)o1 ZINC001354266607 983240671 /nfs/dbraw/zinc/24/06/71/983240671.db2.gz QTIOLBUNGICYOG-WDEREUQCSA-N 1 2 238.335 1.029 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2[nH]cnc21 ZINC001242068090 983297479 /nfs/dbraw/zinc/29/74/79/983297479.db2.gz KKLQDCSADBISAK-UHFFFAOYSA-N 1 2 226.243 1.306 20 0 BDADLO COC(=O)c1nccnc1-c1c[nH+]c(N)cc1C ZINC001242071078 983303794 /nfs/dbraw/zinc/30/37/94/983303794.db2.gz SLNZXHYAPRLUCK-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Cc1cncc(-c2c[nH+]c(N)cc2C)n1 ZINC001242070716 983305483 /nfs/dbraw/zinc/30/54/83/983305483.db2.gz KMLGMFAZAMSDBC-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cnc2cc[nH]c2n1 ZINC001242070675 983305719 /nfs/dbraw/zinc/30/57/19/983305719.db2.gz ITPLXHBDLBJXDZ-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2ncccc21 ZINC001242071069 983306373 /nfs/dbraw/zinc/30/63/73/983306373.db2.gz RSTQQTABQLGHFQ-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(O)cc1O ZINC001593700914 983340970 /nfs/dbraw/zinc/34/09/70/983340970.db2.gz PZNPBOBUSVFYCW-UHFFFAOYSA-N 1 2 247.254 1.013 20 0 BDADLO CCc1onc(C)c1C[NH+]1CC(O)(C(C)C)C1 ZINC001354714466 983347595 /nfs/dbraw/zinc/34/75/95/983347595.db2.gz RSRKCCNJTKKRMD-UHFFFAOYSA-N 1 2 238.331 1.748 20 0 BDADLO Cn1ncc2c1C[N@H+](CCc1ccccc1)C2 ZINC001201603619 983373998 /nfs/dbraw/zinc/37/39/98/983373998.db2.gz JXVZNDRDWLZGKV-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO Cn1ncc2c1C[N@@H+](CCc1ccccc1)C2 ZINC001201603619 983374002 /nfs/dbraw/zinc/37/40/02/983374002.db2.gz JXVZNDRDWLZGKV-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO C[C@@H]1CC([NH2+]Cc2ncn[nH]2)C[C@@H](C)C1 ZINC000082830359 983391557 /nfs/dbraw/zinc/39/15/57/983391557.db2.gz DFLKEDPZYARCHY-IUCAKERBSA-N 1 2 208.309 1.719 20 0 BDADLO CSCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001201681742 983394515 /nfs/dbraw/zinc/39/45/15/983394515.db2.gz GUEFKDIIMMMYEZ-VIFPVBQESA-N 1 2 219.325 1.743 20 0 BDADLO CSCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001201681742 983394517 /nfs/dbraw/zinc/39/45/17/983394517.db2.gz GUEFKDIIMMMYEZ-VIFPVBQESA-N 1 2 219.325 1.743 20 0 BDADLO Oc1cc(F)ccc1-c1cc2c(nn1)C[NH2+]C2 ZINC001242218463 983421362 /nfs/dbraw/zinc/42/13/62/983421362.db2.gz VIMOMVPUWQIDDJ-UHFFFAOYSA-N 1 2 231.230 1.592 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccnn1C ZINC001202389026 983632574 /nfs/dbraw/zinc/63/25/74/983632574.db2.gz ZMVUKDAHALLZLB-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001252106614 983648753 /nfs/dbraw/zinc/64/87/53/983648753.db2.gz ONUIPYIKYBHDCO-GHMZBOCLSA-N 1 2 245.363 1.715 20 0 BDADLO COc1ccc(NC(=O)NC2C[NH+](C)C2)cc1 ZINC001202400706 983654240 /nfs/dbraw/zinc/65/42/40/983654240.db2.gz POITZWSFCZBRPK-UHFFFAOYSA-N 1 2 235.287 1.131 20 0 BDADLO N#CN1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202444632 983663421 /nfs/dbraw/zinc/66/34/21/983663421.db2.gz KVHBBTHXTRFADW-UHFFFAOYSA-N 1 2 221.226 1.428 20 0 BDADLO O=C1CCC[N@@H+](C[C@H]2CCOC2)C[C@@H]1F ZINC001202463687 983671032 /nfs/dbraw/zinc/67/10/32/983671032.db2.gz CPLVCVQVDZUZBY-ZJUUUORDSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[N@H+](C[C@H]2CCOC2)C[C@@H]1F ZINC001202463687 983671044 /nfs/dbraw/zinc/67/10/44/983671044.db2.gz CPLVCVQVDZUZBY-ZJUUUORDSA-N 1 2 215.268 1.026 20 0 BDADLO CC(C)(C)NC(=O)N1CCc2[nH+]ccn2CC1 ZINC001202476273 983725587 /nfs/dbraw/zinc/72/55/87/983725587.db2.gz IJSCJRDKWIHOPZ-UHFFFAOYSA-N 1 2 236.319 1.249 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCn2c(C)ncc2C1 ZINC001252779722 983882545 /nfs/dbraw/zinc/88/25/45/983882545.db2.gz KAAYLOFAWLOBGH-LBPRGKRZSA-N 1 2 223.320 1.168 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCn2c(C)ncc2C1 ZINC001252779722 983882556 /nfs/dbraw/zinc/88/25/56/983882556.db2.gz KAAYLOFAWLOBGH-LBPRGKRZSA-N 1 2 223.320 1.168 20 0 BDADLO CCCSCc1nc(C[NH2+]CC)no1 ZINC000379918431 983912354 /nfs/dbraw/zinc/91/23/54/983912354.db2.gz FLMXOHPEQJSBNZ-UHFFFAOYSA-N 1 2 215.322 1.822 20 0 BDADLO CCNC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001202541074 983923628 /nfs/dbraw/zinc/92/36/28/983923628.db2.gz MSFRQTMCFCSJEN-UHFFFAOYSA-N 1 2 249.314 1.654 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCN2C[C@@H](F)C[C@H]2C1 ZINC001560201224 983937649 /nfs/dbraw/zinc/93/76/49/983937649.db2.gz GFAHIMLJCOBECW-UBHSHLNASA-N 1 2 249.333 1.871 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCN2C[C@@H](F)C[C@H]2C1 ZINC001560201224 983937653 /nfs/dbraw/zinc/93/76/53/983937653.db2.gz GFAHIMLJCOBECW-UBHSHLNASA-N 1 2 249.333 1.871 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC001137140371 983967556 /nfs/dbraw/zinc/96/75/56/983967556.db2.gz WWTOQDOPWPXRKJ-KCJUWKMLSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC001137140373 983967920 /nfs/dbraw/zinc/96/79/20/983967920.db2.gz WWTOQDOPWPXRKJ-LDYMZIIASA-N 1 2 249.314 1.340 20 0 BDADLO COc1ccc(NC(=O)NC2C[NH+](C)C2)c(C)c1 ZINC001202729769 984174365 /nfs/dbraw/zinc/17/43/65/984174365.db2.gz IXFPEAZAMKMAPL-UHFFFAOYSA-N 1 2 249.314 1.439 20 0 BDADLO CC(=O)NCc1cc(-c2c[nH+]cn2C)ccc1F ZINC001242827432 984183711 /nfs/dbraw/zinc/18/37/11/984183711.db2.gz ADYMZYUWLSLYON-UHFFFAOYSA-N 1 2 247.273 1.862 20 0 BDADLO COCC[N@H+](C)Cc1cnccc1Cl ZINC001137230163 984195427 /nfs/dbraw/zinc/19/54/27/984195427.db2.gz KATHZVGGDGLHFX-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO COCC[N@@H+](C)Cc1cnccc1Cl ZINC001137230163 984195429 /nfs/dbraw/zinc/19/54/29/984195429.db2.gz KATHZVGGDGLHFX-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO OCc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001242970100 984334490 /nfs/dbraw/zinc/33/44/90/984334490.db2.gz HUOZULDCDAKZIP-UHFFFAOYSA-N 1 2 225.251 1.889 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1NC(=O)CC2 ZINC001243068071 984482213 /nfs/dbraw/zinc/48/22/13/984482213.db2.gz VAAHEOINZDDZGT-UHFFFAOYSA-N 1 2 227.267 1.972 20 0 BDADLO COc1cc(C)[nH+]cc1-c1cncn1C ZINC001243068028 984485766 /nfs/dbraw/zinc/48/57/66/984485766.db2.gz SPJGCORRBZWOKK-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCC(=O)N2 ZINC001243068583 984490106 /nfs/dbraw/zinc/49/01/06/984490106.db2.gz FSVSYWGZTSTSMT-UHFFFAOYSA-N 1 2 227.267 1.972 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2oc(C(N)=O)nc2c1 ZINC001243072596 984505502 /nfs/dbraw/zinc/50/55/02/984505502.db2.gz RTCFUVNKKPVKBZ-UHFFFAOYSA-N 1 2 242.238 1.327 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccncc2)CCO1 ZINC001256749233 984810639 /nfs/dbraw/zinc/81/06/39/984810639.db2.gz BXUUIGMMIMQTDA-BXUZGUMPSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccncc2)CCO1 ZINC001256749233 984810643 /nfs/dbraw/zinc/81/06/43/984810643.db2.gz BXUUIGMMIMQTDA-BXUZGUMPSA-N 1 2 248.326 1.302 20 0 BDADLO CN(C)C[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001257356143 984922226 /nfs/dbraw/zinc/92/22/26/984922226.db2.gz QBORYNCYWMHQJT-LBPRGKRZSA-N 1 2 212.337 1.191 20 0 BDADLO CN(C)C[C@H]1COCC[N@H+]1C1CCCC1 ZINC001257356143 984922256 /nfs/dbraw/zinc/92/22/56/984922256.db2.gz QBORYNCYWMHQJT-LBPRGKRZSA-N 1 2 212.337 1.191 20 0 BDADLO CCN(CC)c1ncc(-c2ccc[nH+]c2N)cn1 ZINC001243473300 985024257 /nfs/dbraw/zinc/02/42/57/985024257.db2.gz KGKYYFDCZDKYJA-UHFFFAOYSA-N 1 2 243.314 1.967 20 0 BDADLO Cc1nc(C(N)=O)ccc1-c1ccc[nH+]c1N ZINC001243474264 985025852 /nfs/dbraw/zinc/02/58/52/985025852.db2.gz VBAVCAINSLAICA-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cn1nnc2cc(-c3ccc[nH+]c3N)ccc21 ZINC001243475067 985028436 /nfs/dbraw/zinc/02/84/36/985028436.db2.gz CWGFJKMVKNJLFV-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(=O)n(CC2CC2)c1 ZINC001243477555 985034766 /nfs/dbraw/zinc/03/47/66/985034766.db2.gz SYSGGZCEBHGLTK-UHFFFAOYSA-N 1 2 241.294 1.903 20 0 BDADLO CNC(=O)c1cc(-c2ccc[nH+]c2N)cnc1F ZINC001243477807 985039668 /nfs/dbraw/zinc/03/96/68/985039668.db2.gz OYOUBLMETPUQRI-UHFFFAOYSA-N 1 2 246.245 1.225 20 0 BDADLO CC[C@H](CO)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456340455 985135323 /nfs/dbraw/zinc/13/53/23/985135323.db2.gz IUGXWHZZFVXUHO-SECBINFHSA-N 1 2 239.319 1.168 20 0 BDADLO CC[C@H](CO)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456340455 985135333 /nfs/dbraw/zinc/13/53/33/985135333.db2.gz IUGXWHZZFVXUHO-SECBINFHSA-N 1 2 239.319 1.168 20 0 BDADLO C[C@@H](C(=O)Nc1cc(F)ccn1)n1cc[nH+]c1 ZINC001457937866 985251031 /nfs/dbraw/zinc/25/10/31/985251031.db2.gz WDDMBPCAUQDGNF-QMMMGPOBSA-N 1 2 234.234 1.617 20 0 BDADLO Cc1nc(NCc2cccc(N)n2)cc[nH+]1 ZINC001458636841 985335563 /nfs/dbraw/zinc/33/55/63/985335563.db2.gz DIOPZARDLWANDH-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO CCc1[nH]c(CNc2nccnc2F)c[nH+]1 ZINC001458655853 985340239 /nfs/dbraw/zinc/34/02/39/985340239.db2.gz QVQPHFXRLBYJAN-UHFFFAOYSA-N 1 2 221.239 1.513 20 0 BDADLO CCc1[nH]cc(CNc2nccnc2F)[nH+]1 ZINC001458655853 985340252 /nfs/dbraw/zinc/34/02/52/985340252.db2.gz QVQPHFXRLBYJAN-UHFFFAOYSA-N 1 2 221.239 1.513 20 0 BDADLO CCc1[nH]c(CNc2cc(C)nc(CO)n2)c[nH+]1 ZINC001458669209 985342041 /nfs/dbraw/zinc/34/20/41/985342041.db2.gz OUTLBFQKPSRUHE-UHFFFAOYSA-N 1 2 247.302 1.175 20 0 BDADLO CCc1[nH]cc(CNc2cc(C)nc(CO)n2)[nH+]1 ZINC001458669209 985342065 /nfs/dbraw/zinc/34/20/65/985342065.db2.gz OUTLBFQKPSRUHE-UHFFFAOYSA-N 1 2 247.302 1.175 20 0 BDADLO CCc1cn(CCCCCNC(C)=O)c[nH+]1 ZINC001459264370 985427785 /nfs/dbraw/zinc/42/77/85/985427785.db2.gz URORGSUQYKUOSF-UHFFFAOYSA-N 1 2 223.320 1.752 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@@H](C)CCSC ZINC001258199603 985606035 /nfs/dbraw/zinc/60/60/35/985606035.db2.gz IRGDEOSQSDVTLR-QMMMGPOBSA-N 1 2 219.350 1.669 20 0 BDADLO C[C@@H](c1csnn1)[NH+]1CCC(C)(CO)CC1 ZINC001459907706 985661504 /nfs/dbraw/zinc/66/15/04/985661504.db2.gz JGZJMVNVGYEDIQ-VIFPVBQESA-N 1 2 241.360 1.694 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001460079747 985730070 /nfs/dbraw/zinc/73/00/70/985730070.db2.gz MZOFEHYTWQPFHR-QWRGUYRKSA-N 1 2 245.363 1.713 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000083247075 985755920 /nfs/dbraw/zinc/75/59/20/985755920.db2.gz WUZDVWOWHDLYLV-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000083247075 985755942 /nfs/dbraw/zinc/75/59/42/985755942.db2.gz WUZDVWOWHDLYLV-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO Fc1ccccc1OCC[NH2+]Cc1ccn[nH]1 ZINC001461012781 985998067 /nfs/dbraw/zinc/99/80/67/985998067.db2.gz FNTNMCUTUIKIRL-UHFFFAOYSA-N 1 2 235.262 1.717 20 0 BDADLO COc1cc(C)ccc1C[NH2+]Cc1nncn1C ZINC001461036047 986001082 /nfs/dbraw/zinc/00/10/82/986001082.db2.gz OYBZACULEMWUAT-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC001327871227 986055788 /nfs/dbraw/zinc/05/57/88/986055788.db2.gz XQRNMPHPPJDBSE-LBPRGKRZSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cnon1 ZINC001327871227 986055802 /nfs/dbraw/zinc/05/58/02/986055802.db2.gz XQRNMPHPPJDBSE-LBPRGKRZSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cc3cccnc3o2)n1 ZINC001461412459 986057522 /nfs/dbraw/zinc/05/75/22/986057522.db2.gz RMODVVVMYWAYHQ-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cc1cc(NC(=O)C[C@H]([NH3+])C(F)F)[nH]c(=O)c1 ZINC001579626997 986143060 /nfs/dbraw/zinc/14/30/60/986143060.db2.gz VRCLKNRMBWTQJB-LURJTMIESA-N 1 2 245.229 1.017 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2nnc(CO)[nH]2)CC1 ZINC001461840325 986190629 /nfs/dbraw/zinc/19/06/29/986190629.db2.gz CLRAHSRGZRSOKW-ZJUUUORDSA-N 1 2 238.335 1.355 20 0 BDADLO CNc1ccc(C)cc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC001461888728 986216012 /nfs/dbraw/zinc/21/60/12/986216012.db2.gz NNNUKBZZSQEHQQ-NSHDSACASA-N 1 2 247.342 1.357 20 0 BDADLO CNc1ccc(C)cc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC001461888728 986216024 /nfs/dbraw/zinc/21/60/24/986216024.db2.gz NNNUKBZZSQEHQQ-NSHDSACASA-N 1 2 247.342 1.357 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037988193 986237591 /nfs/dbraw/zinc/23/75/91/986237591.db2.gz YLHOUOOUESGZPT-LBPRGKRZSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1nocc1C[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037988193 986237606 /nfs/dbraw/zinc/23/76/06/986237606.db2.gz YLHOUOOUESGZPT-LBPRGKRZSA-N 1 2 249.314 1.084 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C1CCC1 ZINC001038008529 986247518 /nfs/dbraw/zinc/24/75/18/986247518.db2.gz WFAORPQAUPLTAJ-RYUDHWBXSA-N 1 2 242.338 1.725 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)C1CCC1 ZINC001038008529 986247528 /nfs/dbraw/zinc/24/75/28/986247528.db2.gz WFAORPQAUPLTAJ-RYUDHWBXSA-N 1 2 242.338 1.725 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)nn1 ZINC001462075566 986275698 /nfs/dbraw/zinc/27/56/98/986275698.db2.gz IRAAFUTXEPXHMM-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC3(C2)OCCO3)nn1 ZINC001462075566 986275708 /nfs/dbraw/zinc/27/57/08/986275708.db2.gz IRAAFUTXEPXHMM-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CCCn1c[nH+]cc1CN1CC(=O)N(C2CC2)C1 ZINC001462181116 986306582 /nfs/dbraw/zinc/30/65/82/986306582.db2.gz ZUDKYFMZSVHBNM-UHFFFAOYSA-N 1 2 248.330 1.057 20 0 BDADLO CCCn1c[nH+]cc1CN(C)Cc1nncn1C ZINC001462319123 986349934 /nfs/dbraw/zinc/34/99/34/986349934.db2.gz PHPOFHXPDRPIFS-UHFFFAOYSA-N 1 2 248.334 1.054 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccn1 ZINC001463901529 986587640 /nfs/dbraw/zinc/58/76/40/986587640.db2.gz YSTMVNRTDYNCEM-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@@H](F)C1 ZINC000689415234 986590861 /nfs/dbraw/zinc/59/08/61/986590861.db2.gz SQJHHPISGPKXDN-AYYIZTPMSA-N 1 2 215.268 1.540 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@@H](F)C1 ZINC000689415234 986590870 /nfs/dbraw/zinc/59/08/70/986590870.db2.gz SQJHHPISGPKXDN-AYYIZTPMSA-N 1 2 215.268 1.540 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C)ccn1 ZINC001464200489 986614930 /nfs/dbraw/zinc/61/49/30/986614930.db2.gz FDDHUEBRUDKPMB-SNVBAGLBSA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C)ccn1 ZINC001464200489 986614943 /nfs/dbraw/zinc/61/49/43/986614943.db2.gz FDDHUEBRUDKPMB-SNVBAGLBSA-N 1 2 219.288 1.423 20 0 BDADLO Cc1ccc(C2=CCS(=O)(=O)CC2)[nH+]c1N ZINC001245208113 986730514 /nfs/dbraw/zinc/73/05/14/986730514.db2.gz RFOBHVSGSUPRKS-UHFFFAOYSA-N 1 2 238.312 1.174 20 0 BDADLO C=C/C=C\CC(=O)N(C)CCCn1cc[nH+]c1 ZINC001465985801 986762989 /nfs/dbraw/zinc/76/29/89/986762989.db2.gz DVMODWNZVDQKGW-PLNGDYQASA-N 1 2 233.315 1.864 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC=C(F)C1 ZINC001466439953 986800617 /nfs/dbraw/zinc/80/06/17/986800617.db2.gz RURDSJHYNLOPBC-UHFFFAOYSA-N 1 2 223.251 1.346 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC001255045207 986803391 /nfs/dbraw/zinc/80/33/91/986803391.db2.gz YSKJUPOYBJAZQY-SECBINFHSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+](C2CCOCC2)CCO1 ZINC001255045207 986803396 /nfs/dbraw/zinc/80/33/96/986803396.db2.gz YSKJUPOYBJAZQY-SECBINFHSA-N 1 2 239.237 1.429 20 0 BDADLO COCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001139546045 986831399 /nfs/dbraw/zinc/83/13/99/986831399.db2.gz NKBUHCJAIBQTRS-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO Nc1ccc(F)c(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001580448230 986856262 /nfs/dbraw/zinc/85/62/62/986856262.db2.gz ZBZQYXQOXRSVER-UHFFFAOYSA-N 1 2 248.261 1.702 20 0 BDADLO CCc1cnc(C[NH2+]CCNC(=O)C(C)C)o1 ZINC000700376067 986857333 /nfs/dbraw/zinc/85/73/33/986857333.db2.gz YMUPHSUVTRUELX-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO COCC[N@@H+](C)Cc1ccc(Cl)nc1F ZINC001137470805 986917683 /nfs/dbraw/zinc/91/76/83/986917683.db2.gz LSELMWVVLKOVIW-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO Cc1cc(-c2cc(N(C)C)ncn2)c[nH+]c1N ZINC001245536567 986913240 /nfs/dbraw/zinc/91/32/40/986913240.db2.gz RYUDTNMMFNWNKM-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO COC(=O)c1ncncc1-c1c[nH+]c(N)c(C)c1 ZINC001245535952 986915576 /nfs/dbraw/zinc/91/55/76/986915576.db2.gz FXZBKMSBPZUHRW-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Cc1cc(-c2cccc3c2C(=O)NC3)c[nH+]c1N ZINC001245536720 986915652 /nfs/dbraw/zinc/91/56/52/986915652.db2.gz LATWPBZHMZGTCO-UHFFFAOYSA-N 1 2 239.278 1.883 20 0 BDADLO COC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245537704 986917544 /nfs/dbraw/zinc/91/75/44/986917544.db2.gz USFNBISFHGPHAP-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO COCC[N@H+](C)Cc1ccc(Cl)nc1F ZINC001137470805 986917672 /nfs/dbraw/zinc/91/76/72/986917672.db2.gz LSELMWVVLKOVIW-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO Cc1cc(-c2ccc(=S)[nH]n2)c[nH+]c1N ZINC001245538287 986918520 /nfs/dbraw/zinc/91/85/20/986918520.db2.gz LGBBLANFGVRJQS-UHFFFAOYSA-N 1 2 218.285 1.718 20 0 BDADLO Cc1cc(-c2cccn(C)c2=O)c[nH+]c1N ZINC001245537997 986922561 /nfs/dbraw/zinc/92/25/61/986922561.db2.gz IUCPBCJLOBSQAR-UHFFFAOYSA-N 1 2 215.256 1.338 20 0 BDADLO C[C@H](N[C@H]1CCC[N@H+](C)C1)c1ccno1 ZINC001255480607 986976958 /nfs/dbraw/zinc/97/69/58/986976958.db2.gz YLVVJFTWSFVZQG-UWVGGRQHSA-N 1 2 209.293 1.419 20 0 BDADLO C[C@H](N[C@H]1CCC[N@@H+](C)C1)c1ccno1 ZINC001255480607 986976967 /nfs/dbraw/zinc/97/69/67/986976967.db2.gz YLVVJFTWSFVZQG-UWVGGRQHSA-N 1 2 209.293 1.419 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC001245643948 987014658 /nfs/dbraw/zinc/01/46/58/987014658.db2.gz MBWHGZXWKNJIAT-OXLFPFNRSA-N 1 2 246.310 1.517 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H](C)COC)[C@@H](C)CC ZINC001255562656 987016439 /nfs/dbraw/zinc/01/64/39/987016439.db2.gz FDMOBVNUEHXPFL-GARJFASQSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001255647377 987042712 /nfs/dbraw/zinc/04/27/12/987042712.db2.gz UJDRPXSJSGCKEY-GJMOJQLCSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001255647377 987042724 /nfs/dbraw/zinc/04/27/24/987042724.db2.gz UJDRPXSJSGCKEY-GJMOJQLCSA-N 1 2 229.217 1.732 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001470578035 987053798 /nfs/dbraw/zinc/05/37/98/987053798.db2.gz RUELOEFPWKKJLD-JGPRNRPPSA-N 1 2 246.314 1.262 20 0 BDADLO CC(F)(F)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001472065140 987172022 /nfs/dbraw/zinc/17/20/22/987172022.db2.gz OISRRTRLLPJFGW-UHFFFAOYSA-N 1 2 243.257 1.560 20 0 BDADLO COCCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472094582 987174946 /nfs/dbraw/zinc/17/49/46/987174946.db2.gz BYJQGTGBKAPJBG-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO COCCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472094582 987174972 /nfs/dbraw/zinc/17/49/72/987174972.db2.gz BYJQGTGBKAPJBG-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO Cc1nc(NCCN(C)C(=O)[C@@H]2C[C@@H]2C)cc[nH+]1 ZINC001101492467 987191996 /nfs/dbraw/zinc/19/19/96/987191996.db2.gz FIDJPHYCVRNBFF-GXSJLCMTSA-N 1 2 248.330 1.311 20 0 BDADLO C[NH+](C)CCN1N=C(c2cccc(N)c2)CC1=O ZINC001245949286 987226850 /nfs/dbraw/zinc/22/68/50/987226850.db2.gz TYFJHWROULQBAH-UHFFFAOYSA-N 1 2 246.314 1.400 20 0 BDADLO C[NH+](C)CCn1[nH]c(-c2cccc(N)c2)cc1=O ZINC001245949286 987226855 /nfs/dbraw/zinc/22/68/55/987226855.db2.gz TYFJHWROULQBAH-UHFFFAOYSA-N 1 2 246.314 1.400 20 0 BDADLO CC[C@H](CNC(C)=O)Nc1cc[nH+]c(C)n1 ZINC001102970429 987228801 /nfs/dbraw/zinc/22/88/01/987228801.db2.gz RELZYLANPIMGCO-SNVBAGLBSA-N 1 2 222.292 1.112 20 0 BDADLO CCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001102957461 987234073 /nfs/dbraw/zinc/23/40/73/987234073.db2.gz CKFZYFRFMNTCCI-SNVBAGLBSA-N 1 2 236.319 1.502 20 0 BDADLO CCc1cc(N2CC[C@H](CO)[C@@H]2C)nc(CC)[nH+]1 ZINC001472770743 987278168 /nfs/dbraw/zinc/27/81/68/987278168.db2.gz SXNPSPSZJGYKQD-WDEREUQCSA-N 1 2 249.358 1.809 20 0 BDADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)o1)CC1CC1 ZINC001473110778 987337958 /nfs/dbraw/zinc/33/79/58/987337958.db2.gz KTIVBKRHGVCPKT-UHFFFAOYSA-N 1 2 243.328 1.525 20 0 BDADLO C[N@H+](Cc1ccc(S(C)(=O)=O)o1)CC1CC1 ZINC001473110778 987337963 /nfs/dbraw/zinc/33/79/63/987337963.db2.gz KTIVBKRHGVCPKT-UHFFFAOYSA-N 1 2 243.328 1.525 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1noc(C)n1 ZINC001473367717 987406994 /nfs/dbraw/zinc/40/69/94/987406994.db2.gz AOIVFYAXFMQYJG-GHMZBOCLSA-N 1 2 239.319 1.988 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCC2(O)CCC2)no1 ZINC001473362930 987407064 /nfs/dbraw/zinc/40/70/64/987407064.db2.gz WFGKUEDQSQHPOS-MRVPVSSYSA-N 1 2 225.292 1.334 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC001473387789 987412744 /nfs/dbraw/zinc/41/27/44/987412744.db2.gz MECUKPWOXBLYJD-DCAQKATOSA-N 1 2 249.301 1.239 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC001473387789 987412757 /nfs/dbraw/zinc/41/27/57/987412757.db2.gz MECUKPWOXBLYJD-DCAQKATOSA-N 1 2 249.301 1.239 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC001473387790 987413068 /nfs/dbraw/zinc/41/30/68/987413068.db2.gz MECUKPWOXBLYJD-GARJFASQSA-N 1 2 249.301 1.239 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC001473387790 987413079 /nfs/dbraw/zinc/41/30/79/987413079.db2.gz MECUKPWOXBLYJD-GARJFASQSA-N 1 2 249.301 1.239 20 0 BDADLO Cc1cnccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116007730 987427497 /nfs/dbraw/zinc/42/74/97/987427497.db2.gz URENEPXLSGJITF-SNVBAGLBSA-N 1 2 230.271 1.208 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CCCS1)n1cc[nH+]c1 ZINC001116253747 987495225 /nfs/dbraw/zinc/49/52/25/987495225.db2.gz ZCVPHWPMAOHFFL-NXEZZACHSA-N 1 2 239.344 1.456 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CCCS1)n1cc[nH+]c1 ZINC001116253750 987495723 /nfs/dbraw/zinc/49/57/23/987495723.db2.gz ZCVPHWPMAOHFFL-ZJUUUORDSA-N 1 2 239.344 1.456 20 0 BDADLO Cc1c[nH+]c(Nc2cc(C)nc3ncnn32)[nH]1 ZINC001116319497 987515494 /nfs/dbraw/zinc/51/54/94/987515494.db2.gz QZTVQCVUPNKSCH-UHFFFAOYSA-N 1 2 229.247 1.208 20 0 BDADLO C[C@@H](C(=O)Nc1cccc(O)c1)n1cc[nH+]c1 ZINC001116345297 987526108 /nfs/dbraw/zinc/52/61/08/987526108.db2.gz OIOXBQRCRNBHQQ-VIFPVBQESA-N 1 2 231.255 1.788 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCn3nccc3C2)O1 ZINC001473671188 987526333 /nfs/dbraw/zinc/52/63/33/987526333.db2.gz UFKXXRKESHQWLQ-GFCCVEGCSA-N 1 2 235.331 1.656 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCn3nccc3C2)O1 ZINC001473671188 987526344 /nfs/dbraw/zinc/52/63/44/987526344.db2.gz UFKXXRKESHQWLQ-GFCCVEGCSA-N 1 2 235.331 1.656 20 0 BDADLO CN(C)c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001473711215 987533057 /nfs/dbraw/zinc/53/30/57/987533057.db2.gz LIQBBHWYPODLBR-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001473711215 987533065 /nfs/dbraw/zinc/53/30/65/987533065.db2.gz LIQBBHWYPODLBR-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@@H](c3ncccn3)C2)n1 ZINC001473834950 987575594 /nfs/dbraw/zinc/57/55/94/987575594.db2.gz XBWZJWVPMVZHLB-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@@H](c3ncccn3)C2)n1 ZINC001473834950 987575607 /nfs/dbraw/zinc/57/56/07/987575607.db2.gz XBWZJWVPMVZHLB-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO Cc1cc(C[N@@H+](C)CC2(O)CCCC2)n[nH]1 ZINC001116443926 987576487 /nfs/dbraw/zinc/57/64/87/987576487.db2.gz LOQPDYDHGFAVNN-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1cc(C[N@H+](C)CC2(O)CCCC2)n[nH]1 ZINC001116443926 987576494 /nfs/dbraw/zinc/57/64/94/987576494.db2.gz LOQPDYDHGFAVNN-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001116445168 987579592 /nfs/dbraw/zinc/57/95/92/987579592.db2.gz OSWGIPCWXSJADL-LBPRGKRZSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001116445168 987579601 /nfs/dbraw/zinc/57/96/01/987579601.db2.gz OSWGIPCWXSJADL-LBPRGKRZSA-N 1 2 237.303 1.103 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC001116505775 987608887 /nfs/dbraw/zinc/60/88/87/987608887.db2.gz RSBCHFZLOCUAFR-QMMMGPOBSA-N 1 2 234.307 1.180 20 0 BDADLO Cn1nncc1NCc1cccc2[nH+]ccn21 ZINC001474299484 987680981 /nfs/dbraw/zinc/68/09/81/987680981.db2.gz DPYUQZHSGZVRDU-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO CC(=O)c1ccc(C(=O)NCC[NH+]2CC=CC2)o1 ZINC001116812968 987718093 /nfs/dbraw/zinc/71/80/93/987718093.db2.gz NBQTUVMMYVGFLY-UHFFFAOYSA-N 1 2 248.282 1.084 20 0 BDADLO CCn1ccc(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC001474678002 987798425 /nfs/dbraw/zinc/79/84/25/987798425.db2.gz BYLDHGIDYWUTLS-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO CCn1ccc(C[N@H+]2CCS[C@H](C)C2)n1 ZINC001474678002 987798431 /nfs/dbraw/zinc/79/84/31/987798431.db2.gz BYLDHGIDYWUTLS-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO Cc1cc(C)c(NC(=O)N2CC[C@H]2CO)c(C)[nH+]1 ZINC001476698307 987849113 /nfs/dbraw/zinc/84/91/13/987849113.db2.gz GDHITJFOKJFGOZ-NSHDSACASA-N 1 2 249.314 1.605 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCCC1(F)F)n1cc[nH+]c1 ZINC001117673245 987860086 /nfs/dbraw/zinc/86/00/86/987860086.db2.gz GGAQVHYVQNBPOZ-IUCAKERBSA-N 1 2 243.257 1.748 20 0 BDADLO COC(=O)NC1C[NH+](Cc2sccc2C)C1 ZINC001117869183 987952757 /nfs/dbraw/zinc/95/27/57/987952757.db2.gz ZKCSSCFXLDCZAR-UHFFFAOYSA-N 1 2 240.328 1.597 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccno2)nn1 ZINC001118264725 988164935 /nfs/dbraw/zinc/16/49/35/988164935.db2.gz MHGGXQJGELKYTR-UHFFFAOYSA-N 1 2 204.233 1.063 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)n(C)n1 ZINC001322301338 988194881 /nfs/dbraw/zinc/19/48/81/988194881.db2.gz GJLYVMAJIGHNDG-NXEZZACHSA-N 1 2 248.334 1.269 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2CCCOC2)o1 ZINC001322340838 988214286 /nfs/dbraw/zinc/21/42/86/988214286.db2.gz WGLMAOJEZBVGEC-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2COc3ccccc32)o1 ZINC001322339005 988215345 /nfs/dbraw/zinc/21/53/45/988215345.db2.gz FZKVGKWXFZMKML-SNVBAGLBSA-N 1 2 245.282 1.656 20 0 BDADLO C[NH2+][C@@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC001118506102 988405576 /nfs/dbraw/zinc/40/55/76/988405576.db2.gz KSOCTCMUCPSBRF-YFKPBYRVSA-N 1 2 232.234 1.202 20 0 BDADLO COc1ccnc(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001323085182 988451494 /nfs/dbraw/zinc/45/14/94/988451494.db2.gz QOSIFCNSPKLOPM-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO C=C/C(C)=C/CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001323288056 988487403 /nfs/dbraw/zinc/48/74/03/988487403.db2.gz WOGNLIOQGMIGAW-KBVBDRTLSA-N 1 2 240.322 1.669 20 0 BDADLO C=C/C(C)=C/CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001323288056 988487405 /nfs/dbraw/zinc/48/74/05/988487405.db2.gz WOGNLIOQGMIGAW-KBVBDRTLSA-N 1 2 240.322 1.669 20 0 BDADLO C=C/C(C)=C\CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001323288055 988487884 /nfs/dbraw/zinc/48/78/84/988487884.db2.gz WOGNLIOQGMIGAW-CSXHZRMWSA-N 1 2 240.322 1.669 20 0 BDADLO C=C/C(C)=C\CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001323288055 988487885 /nfs/dbraw/zinc/48/78/85/988487885.db2.gz WOGNLIOQGMIGAW-CSXHZRMWSA-N 1 2 240.322 1.669 20 0 BDADLO CC(C)=CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001498920674 988513441 /nfs/dbraw/zinc/51/34/41/988513441.db2.gz PBXCDMGIHFWPLH-JTQLQIEISA-N 1 2 214.284 1.113 20 0 BDADLO CC(C)=CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001498920674 988513432 /nfs/dbraw/zinc/51/34/32/988513432.db2.gz PBXCDMGIHFWPLH-JTQLQIEISA-N 1 2 214.284 1.113 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118782601 988582320 /nfs/dbraw/zinc/58/23/20/988582320.db2.gz UQOYLCMYTRVWQE-WDEREUQCSA-N 1 2 223.320 1.997 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)C(F)(F)F)n1cc[nH+]c1 ZINC001118799492 988603462 /nfs/dbraw/zinc/60/34/62/988603462.db2.gz ZCVNUIBFZWTKTR-RQJHMYQMSA-N 1 2 235.209 1.511 20 0 BDADLO C[C@@H]1[N@H+](CN2C(=O)CC2(C)C)CCOC1(C)C ZINC001323943909 988659687 /nfs/dbraw/zinc/65/96/87/988659687.db2.gz PZIJOBHXEZFJJX-JTQLQIEISA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1[N@@H+](CN2C(=O)CC2(C)C)CCOC1(C)C ZINC001323943909 988659691 /nfs/dbraw/zinc/65/96/91/988659691.db2.gz PZIJOBHXEZFJJX-JTQLQIEISA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(F)F ZINC001548718099 988662263 /nfs/dbraw/zinc/66/22/63/988662263.db2.gz WTUFNSLNSIDBTD-JGVFFNPUSA-N 1 2 243.257 1.215 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001324233311 988767011 /nfs/dbraw/zinc/76/70/11/988767011.db2.gz HIUGZKUSFQPRKK-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001324233311 988767021 /nfs/dbraw/zinc/76/70/21/988767021.db2.gz HIUGZKUSFQPRKK-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO C[C@H](C(=O)NCC[C@H](C)F)n1cc[nH+]c1 ZINC001324373596 988818658 /nfs/dbraw/zinc/81/86/58/988818658.db2.gz ODCRADIHHWEXBI-DTWKUNHWSA-N 1 2 213.256 1.308 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001324372758 988819518 /nfs/dbraw/zinc/81/95/18/988819518.db2.gz DWOCOWVFLPKEPA-OPRDCNLKSA-N 1 2 207.277 1.311 20 0 BDADLO [NH3+]Cc1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001247387128 988873024 /nfs/dbraw/zinc/87/30/24/988873024.db2.gz XVRHPPODDDMZTM-UHFFFAOYSA-N 1 2 229.239 1.324 20 0 BDADLO CCc1cccc(-c2noc([C@H]([NH3+])CO)n2)c1 ZINC001247490763 988896420 /nfs/dbraw/zinc/89/64/20/988896420.db2.gz KRTIOAMGDIDZJA-SNVBAGLBSA-N 1 2 233.271 1.291 20 0 BDADLO CN1CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001324646253 988902648 /nfs/dbraw/zinc/90/26/48/988902648.db2.gz JBFWVUCAAAOIOY-UHFFFAOYSA-N 1 2 219.332 1.570 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](CC1CC1)C(=O)OC)OC ZINC001119302230 988909005 /nfs/dbraw/zinc/90/90/05/988909005.db2.gz OTHIFMOEHDTRNI-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1ccc(F)c(-c2noc([C@@H]([NH3+])CO)n2)c1 ZINC001247614481 988946762 /nfs/dbraw/zinc/94/67/62/988946762.db2.gz ZGRIAISFFJQOJO-VIFPVBQESA-N 1 2 237.234 1.176 20 0 BDADLO C[C@H](C(=O)NC1(C2(C)CC2)CC1)n1cc[nH+]c1 ZINC001324949487 989028786 /nfs/dbraw/zinc/02/87/86/989028786.db2.gz IIWNSKBBQRMKHG-SNVBAGLBSA-N 1 2 233.315 1.893 20 0 BDADLO CCc1ccc(N2CCN3C(=O)OC[C@@H]3C2)[nH+]c1 ZINC001515566322 989067056 /nfs/dbraw/zinc/06/70/56/989067056.db2.gz WWUGNVXCWSJOOJ-NSHDSACASA-N 1 2 247.298 1.285 20 0 BDADLO CCc1ccc(N2CC[C@H](C(=O)NC)C2)[nH+]c1 ZINC001515832723 989119454 /nfs/dbraw/zinc/11/94/54/989119454.db2.gz SVIGBTPXWKNEKC-NSHDSACASA-N 1 2 233.315 1.216 20 0 BDADLO Cc1noc2ccc(C[NH+]3CC(C)(O)C3)cc12 ZINC001248686979 989123131 /nfs/dbraw/zinc/12/31/31/989123131.db2.gz CKMRYRULDRYYAX-UHFFFAOYSA-N 1 2 232.283 1.703 20 0 BDADLO COC/C=C\C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001515893945 989127609 /nfs/dbraw/zinc/12/76/09/989127609.db2.gz FWEOWPUKYZUUGN-PLNGDYQASA-N 1 2 238.287 1.364 20 0 BDADLO C[C@@H](c1nc([C@@H]2CCCO2)no1)n1cc[nH+]c1 ZINC001325492687 989195667 /nfs/dbraw/zinc/19/56/67/989195667.db2.gz ZIBGAZVPATWHEX-IUCAKERBSA-N 1 2 234.259 1.727 20 0 BDADLO COC(C)(C)c1noc(C2([NH+](C)C)CC2)n1 ZINC001119598022 989213310 /nfs/dbraw/zinc/21/33/10/989213310.db2.gz JEPAMFNHXQIRFP-UHFFFAOYSA-N 1 2 225.292 1.502 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC001119634047 989269774 /nfs/dbraw/zinc/26/97/74/989269774.db2.gz XNFMWJXUQXWQAP-ZYHUDNBSSA-N 1 2 249.314 1.040 20 0 BDADLO CC[C@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001518050323 989277211 /nfs/dbraw/zinc/27/72/11/989277211.db2.gz YKWBPHNKAJWXAT-VIFPVBQESA-N 1 2 210.277 1.992 20 0 BDADLO CC[N@H+](CCOC)Cc1cc(C)sn1 ZINC001249571743 989309010 /nfs/dbraw/zinc/30/90/10/989309010.db2.gz VOWJDCQDHHDLMS-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO CC[N@@H+](CCOC)Cc1cc(C)sn1 ZINC001249571743 989309024 /nfs/dbraw/zinc/30/90/24/989309024.db2.gz VOWJDCQDHHDLMS-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2CC[C@H](C)C2)s1 ZINC001249463096 989290444 /nfs/dbraw/zinc/29/04/44/989290444.db2.gz SOQSXECUDGKTOE-QMMMGPOBSA-N 1 2 240.328 1.772 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2CC[C@H](C)C2)s1 ZINC001249463096 989290455 /nfs/dbraw/zinc/29/04/55/989290455.db2.gz SOQSXECUDGKTOE-QMMMGPOBSA-N 1 2 240.328 1.772 20 0 BDADLO CC1(O)C[NH+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249522041 989292162 /nfs/dbraw/zinc/29/21/62/989292162.db2.gz MFJAMGMSPAILNK-UHFFFAOYSA-N 1 2 234.274 1.874 20 0 BDADLO Brc1cnc(C[NH+]2CCCC2)cn1 ZINC001249489481 989294148 /nfs/dbraw/zinc/29/41/48/989294148.db2.gz RNHBBWZWTDZFEQ-UHFFFAOYSA-N 1 2 242.120 1.835 20 0 BDADLO CCO[C@H](CC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001518384355 989302329 /nfs/dbraw/zinc/30/23/29/989302329.db2.gz OLTQEAVBYCQWHY-LLVKDONJSA-N 1 2 236.315 1.874 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1cc(C)sn1 ZINC001249594205 989321748 /nfs/dbraw/zinc/32/17/48/989321748.db2.gz ZZJFKTFOMUEASE-UHFFFAOYSA-N 1 2 228.317 1.446 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1cc(C)sn1 ZINC001249594205 989321760 /nfs/dbraw/zinc/32/17/60/989321760.db2.gz ZZJFKTFOMUEASE-UHFFFAOYSA-N 1 2 228.317 1.446 20 0 BDADLO C[C@H](c1nc(Cc2cn[nH]c2)no1)n1cc[nH+]c1 ZINC001119688314 989333743 /nfs/dbraw/zinc/33/37/43/989333743.db2.gz ZHAKQIXOWWXMST-MRVPVSSYSA-N 1 2 244.258 1.189 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1(CF)CCC1 ZINC001119684170 989335263 /nfs/dbraw/zinc/33/52/63/989335263.db2.gz YATYBNOETGIEHA-UHFFFAOYSA-N 1 2 238.262 1.847 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@H]1F ZINC001519042240 989375530 /nfs/dbraw/zinc/37/55/30/989375530.db2.gz VPNGPFGZYPEIOY-QWHCGFSZSA-N 1 2 248.301 1.476 20 0 BDADLO CC[C@H](F)C(=O)OCCCc1c[nH+]cn1C ZINC001519060713 989376768 /nfs/dbraw/zinc/37/67/68/989376768.db2.gz NCGBKWJJMKVIJZ-JTQLQIEISA-N 1 2 228.267 1.644 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nncs1 ZINC001119759578 989384440 /nfs/dbraw/zinc/38/44/40/989384440.db2.gz ZNGFAZMCPTYYLS-JVHMLUBASA-N 1 2 225.317 1.026 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nncs1 ZINC001119759578 989384449 /nfs/dbraw/zinc/38/44/49/989384449.db2.gz ZNGFAZMCPTYYLS-JVHMLUBASA-N 1 2 225.317 1.026 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCN(C)[C@H](C)C1 ZINC001119771878 989396618 /nfs/dbraw/zinc/39/66/18/989396618.db2.gz SOJAEVAEKKXUQM-QJPTWQEYSA-N 1 2 242.363 1.210 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCN(C)[C@H](C)C1 ZINC001119771878 989396629 /nfs/dbraw/zinc/39/66/29/989396629.db2.gz SOJAEVAEKKXUQM-QJPTWQEYSA-N 1 2 242.363 1.210 20 0 BDADLO CCc1ncc(C[N@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC001119811152 989410837 /nfs/dbraw/zinc/41/08/37/989410837.db2.gz WVZHXUGSAACWCG-JDNHERCYSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1ncc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC001119811152 989410846 /nfs/dbraw/zinc/41/08/46/989410846.db2.gz WVZHXUGSAACWCG-JDNHERCYSA-N 1 2 244.360 1.436 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1F ZINC001519515043 989423298 /nfs/dbraw/zinc/42/32/98/989423298.db2.gz ROZLOUOPHRSLFH-ZJUUUORDSA-N 1 2 237.278 1.358 20 0 BDADLO C[C@H](C1CC1)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC001119843764 989434128 /nfs/dbraw/zinc/43/41/28/989434128.db2.gz GIINLIUMMCOMBL-VXNVDRBHSA-N 1 2 205.248 1.487 20 0 BDADLO C[C@H](C1CC1)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC001119843764 989434130 /nfs/dbraw/zinc/43/41/30/989434130.db2.gz GIINLIUMMCOMBL-VXNVDRBHSA-N 1 2 205.248 1.487 20 0 BDADLO CN(C)c1cc(N(C)CCC(F)(F)F)nc[nH+]1 ZINC001119937526 989493811 /nfs/dbraw/zinc/49/38/11/989493811.db2.gz VKOWRISYLGLLBB-UHFFFAOYSA-N 1 2 248.252 1.931 20 0 BDADLO CN(C)c1cc(N(C)CCC(F)(F)F)[nH+]cn1 ZINC001119937526 989493821 /nfs/dbraw/zinc/49/38/21/989493821.db2.gz VKOWRISYLGLLBB-UHFFFAOYSA-N 1 2 248.252 1.931 20 0 BDADLO CC[C@H](CO)Nc1cc(N2CC=CCC2)nc[nH+]1 ZINC001119954524 989505802 /nfs/dbraw/zinc/50/58/02/989505802.db2.gz PVGOVBNNTILNMW-LLVKDONJSA-N 1 2 248.330 1.426 20 0 BDADLO CC[C@H](CO)Nc1cc(N2CC=CCC2)[nH+]cn1 ZINC001119954524 989505808 /nfs/dbraw/zinc/50/58/08/989505808.db2.gz PVGOVBNNTILNMW-LLVKDONJSA-N 1 2 248.330 1.426 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cccn1C1CC1 ZINC001326425052 989548963 /nfs/dbraw/zinc/54/89/63/989548963.db2.gz CLATYXVNJPRSLQ-UHFFFAOYSA-N 1 2 235.331 1.343 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cccn1C1CC1 ZINC001326425052 989548966 /nfs/dbraw/zinc/54/89/66/989548966.db2.gz CLATYXVNJPRSLQ-UHFFFAOYSA-N 1 2 235.331 1.343 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C(C)(C)COC ZINC001520440383 989560975 /nfs/dbraw/zinc/56/09/75/989560975.db2.gz GNQITPISAJOWNB-UHFFFAOYSA-N 1 2 240.303 1.619 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCCSC1)n1cc[nH+]c1 ZINC001326450822 989566439 /nfs/dbraw/zinc/56/64/39/989566439.db2.gz CTVFZEIDCAJIQU-ZJUUUORDSA-N 1 2 239.344 1.456 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCCc1[nH+]ccn1C ZINC001520626990 989584821 /nfs/dbraw/zinc/58/48/21/989584821.db2.gz VKBQBFLTSDYSDW-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001520646632 989587578 /nfs/dbraw/zinc/58/75/78/989587578.db2.gz GTVXCQSGDFQNRJ-QWRGUYRKSA-N 1 2 235.331 1.658 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2F)C1 ZINC001521214092 989653881 /nfs/dbraw/zinc/65/38/81/989653881.db2.gz DZKXEVWRDMNEMR-BBBLOLIVSA-N 1 2 237.278 1.094 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1ncon1 ZINC001120509935 989688070 /nfs/dbraw/zinc/68/80/70/989688070.db2.gz YBLYXGGBMXZJKM-NXEZZACHSA-N 1 2 227.308 1.517 20 0 BDADLO NC(CCO)=[NH+]OCc1ccccc1C1CC1 ZINC001326796493 989718317 /nfs/dbraw/zinc/71/83/17/989718317.db2.gz WRIGTSBCQIQLLZ-UHFFFAOYSA-N 1 2 234.299 1.945 20 0 BDADLO Cc1nc(CNC(=O)Cc2[nH]c[nH+]c2C)oc1C ZINC001521824015 989806049 /nfs/dbraw/zinc/80/60/49/989806049.db2.gz CHICOPMAXAJDIY-UHFFFAOYSA-N 1 2 248.286 1.182 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001522102460 989832099 /nfs/dbraw/zinc/83/20/99/989832099.db2.gz ZWNIPKOZPTZYRO-JGVFFNPUSA-N 1 2 234.290 1.473 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2ccns2)C[C@@H]1C ZINC001120710146 989840610 /nfs/dbraw/zinc/84/06/10/989840610.db2.gz GPZBEOURKBQNAI-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2ccns2)C[C@@H]1C ZINC001120710146 989840612 /nfs/dbraw/zinc/84/06/12/989840612.db2.gz GPZBEOURKBQNAI-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]1C(C)(C)C ZINC001120764206 989871212 /nfs/dbraw/zinc/87/12/12/989871212.db2.gz BLDHQEMPBNEUEY-LLVKDONJSA-N 1 2 235.331 1.610 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1([C@H]2CCCO2)CCC1 ZINC001522780620 989875735 /nfs/dbraw/zinc/87/57/35/989875735.db2.gz YCRUWBBABAQKMP-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO CC1(C)C[N@H+](CCNc2nncs2)CCO1 ZINC001120784193 989880863 /nfs/dbraw/zinc/88/08/63/989880863.db2.gz GODJUOHDSZJOGE-UHFFFAOYSA-N 1 2 242.348 1.061 20 0 BDADLO CC1(C)C[N@@H+](CCNc2nncs2)CCO1 ZINC001120784193 989880870 /nfs/dbraw/zinc/88/08/70/989880870.db2.gz GODJUOHDSZJOGE-UHFFFAOYSA-N 1 2 242.348 1.061 20 0 BDADLO CCc1ccc(N2C[C@H](O)[C@@H](CC)C2)[nH+]c1 ZINC001120828567 989908147 /nfs/dbraw/zinc/90/81/47/989908147.db2.gz STMLOXQAVLHHKH-RYUDHWBXSA-N 1 2 220.316 1.851 20 0 BDADLO CCCN(CC(N)=O)c1ccc(CC)c[nH+]1 ZINC001120850985 989923640 /nfs/dbraw/zinc/92/36/40/989923640.db2.gz MVWQKDFKCGOXNS-UHFFFAOYSA-N 1 2 221.304 1.346 20 0 BDADLO CCNC(=O)CN(C)c1cc(F)cc(C)[nH+]1 ZINC001120886940 989946217 /nfs/dbraw/zinc/94/62/17/989946217.db2.gz WFMGAGNHYBFANF-UHFFFAOYSA-N 1 2 225.267 1.101 20 0 BDADLO Cc1cccn2cc(CC(=O)N(C)C#N)[nH+]c12 ZINC001523735876 989947801 /nfs/dbraw/zinc/94/78/01/989947801.db2.gz KGTOGPWIOJDEIZ-UHFFFAOYSA-N 1 2 228.255 1.125 20 0 BDADLO CCc1ccc(N2CC[C@@](C)(O)C2)[nH+]c1 ZINC001120902143 989958558 /nfs/dbraw/zinc/95/85/58/989958558.db2.gz YUWKWQTWAGFNEJ-GFCCVEGCSA-N 1 2 206.289 1.605 20 0 BDADLO CC(C)CO[C@@H]1CCN(c2cc(N)nc[nH+]2)C1 ZINC001120909297 989964071 /nfs/dbraw/zinc/96/40/71/989964071.db2.gz FCFHZANJJCWTQR-SNVBAGLBSA-N 1 2 236.319 1.310 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ncccn2)c[nH+]1 ZINC001525405692 990043656 /nfs/dbraw/zinc/04/36/56/990043656.db2.gz UFGQVUIDARTPEQ-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO CC[C@@H](OC)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001526101334 990113352 /nfs/dbraw/zinc/11/33/52/990113352.db2.gz UHSXVYOLHSDDBU-SNVBAGLBSA-N 1 2 240.303 1.586 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@H](C)CO1 ZINC001527011295 990197833 /nfs/dbraw/zinc/19/78/33/990197833.db2.gz ARNYOGZOOGCDAU-GXSJLCMTSA-N 1 2 238.287 1.371 20 0 BDADLO CNc1cc(CNC(=O)NC2CCC2)cc[nH+]1 ZINC001528002338 990255255 /nfs/dbraw/zinc/25/52/55/990255255.db2.gz OAUPEWPMFMNFNG-UHFFFAOYSA-N 1 2 234.303 1.475 20 0 BDADLO Cc1n[nH]c(C)c1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001528910759 990321303 /nfs/dbraw/zinc/32/13/03/990321303.db2.gz QWAANMNFCBTUAU-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO CC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001122359430 990356302 /nfs/dbraw/zinc/35/63/02/990356302.db2.gz GKOTUSUFUPLARX-UHFFFAOYSA-N 1 2 225.292 1.024 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001122678231 990432252 /nfs/dbraw/zinc/43/22/52/990432252.db2.gz UGSOIZQTNCKADW-JMJZKYOTSA-N 1 2 248.282 1.079 20 0 BDADLO CC(C)(COC(=O)COC1CC1)n1cc[nH+]c1 ZINC001123052039 990498572 /nfs/dbraw/zinc/49/85/72/990498572.db2.gz YYVDPAGMTUJGKM-UHFFFAOYSA-N 1 2 238.287 1.340 20 0 BDADLO CCCOCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123161057 990518627 /nfs/dbraw/zinc/51/86/27/990518627.db2.gz OSORRGVSFZHLCF-UHFFFAOYSA-N 1 2 240.303 1.588 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccc(C)nn1 ZINC001123379507 990567525 /nfs/dbraw/zinc/56/75/25/990567525.db2.gz UXWGZQAARVAOMB-UHFFFAOYSA-N 1 2 246.270 1.358 20 0 BDADLO CC[C@H](C)OCC(=O)OCc1c[nH+]cn1CC ZINC001123379809 990570071 /nfs/dbraw/zinc/57/00/71/990570071.db2.gz XZQBJXGWTUJYJJ-JTQLQIEISA-N 1 2 240.303 1.761 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@@H]2F)[nH+]c1C ZINC001123657243 990638137 /nfs/dbraw/zinc/63/81/37/990638137.db2.gz HUMJOHITOLFAHC-SFYZADRCSA-N 1 2 211.240 1.001 20 0 BDADLO CNc1cc(CNC(=O)NC2CCCC2)cc[nH+]1 ZINC001123749454 990660241 /nfs/dbraw/zinc/66/02/41/990660241.db2.gz ZGMYDMLNRDKVBS-UHFFFAOYSA-N 1 2 248.330 1.865 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccoc1 ZINC001542223525 990660265 /nfs/dbraw/zinc/66/02/65/990660265.db2.gz JODLHQPLSVGMCQ-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CC[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001123766729 990663847 /nfs/dbraw/zinc/66/38/47/990663847.db2.gz TYJIDKHHQITUKG-SECBINFHSA-N 1 2 239.319 1.235 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC1(C)C ZINC001543275031 990686030 /nfs/dbraw/zinc/68/60/30/990686030.db2.gz MZOLBFIUQRPKQT-SECBINFHSA-N 1 2 221.304 1.423 20 0 BDADLO Cc1nocc1NC(=O)CCc1[nH+]ccn1C ZINC001123906621 990698299 /nfs/dbraw/zinc/69/82/99/990698299.db2.gz ZJOITFWAFFSWHG-UHFFFAOYSA-N 1 2 234.259 1.288 20 0 BDADLO CCNc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001123966477 990718044 /nfs/dbraw/zinc/71/80/44/990718044.db2.gz QLCXQYCBLZTNEG-UHFFFAOYSA-N 1 2 245.286 1.418 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1=CCCCC1 ZINC001124009433 990730700 /nfs/dbraw/zinc/73/07/00/990730700.db2.gz BVWDTOARLJJNCN-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CCc1ccc(O)c(NC(=O)[C@@H]2CC[N@H+]2CC)c1 ZINC001547362974 990763103 /nfs/dbraw/zinc/76/31/03/990763103.db2.gz RCHGWLKRTSLZDQ-LBPRGKRZSA-N 1 2 248.326 1.987 20 0 BDADLO CCc1ccc(O)c(NC(=O)[C@@H]2CC[N@@H+]2CC)c1 ZINC001547362974 990763111 /nfs/dbraw/zinc/76/31/11/990763111.db2.gz RCHGWLKRTSLZDQ-LBPRGKRZSA-N 1 2 248.326 1.987 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](O)C[C@H]2C)[nH+]1 ZINC001548514399 990765870 /nfs/dbraw/zinc/76/58/70/990765870.db2.gz CJRVOVFYOXAHND-PSASIEDQSA-N 1 2 210.252 1.489 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001548698908 990777961 /nfs/dbraw/zinc/77/79/61/990777961.db2.gz SCHSLINAGVWXLM-NSHDSACASA-N 1 2 247.342 1.777 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001137529555 990821714 /nfs/dbraw/zinc/82/17/14/990821714.db2.gz LTENDPLYTPCXFR-ZMLRMANQSA-N 1 2 236.290 1.880 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001137529555 990821719 /nfs/dbraw/zinc/82/17/19/990821719.db2.gz LTENDPLYTPCXFR-ZMLRMANQSA-N 1 2 236.290 1.880 20 0 BDADLO CC[N@H+](Cc1cccnc1)Cc1cncnc1 ZINC001137667970 990834743 /nfs/dbraw/zinc/83/47/43/990834743.db2.gz MQSIFRKWNQGXQM-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1cccnc1)Cc1cncnc1 ZINC001137667970 990834746 /nfs/dbraw/zinc/83/47/46/990834746.db2.gz MQSIFRKWNQGXQM-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3sccc3C2)cn1 ZINC001138161189 990891587 /nfs/dbraw/zinc/89/15/87/990891587.db2.gz OADHHCXFGXYSHT-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3sccc3C2)cn1 ZINC001138161189 990891589 /nfs/dbraw/zinc/89/15/89/990891589.db2.gz OADHHCXFGXYSHT-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c2nccnc2c1 ZINC001138307834 990909354 /nfs/dbraw/zinc/90/93/54/990909354.db2.gz NYSKXCYQXKICMZ-QWHCGFSZSA-N 1 2 241.294 1.603 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c2nccnc2c1 ZINC001138307834 990909366 /nfs/dbraw/zinc/90/93/66/990909366.db2.gz NYSKXCYQXKICMZ-QWHCGFSZSA-N 1 2 241.294 1.603 20 0 BDADLO CC[C@@H](C)CC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841742 990914782 /nfs/dbraw/zinc/91/47/82/990914782.db2.gz QEQKBUSEENHXSV-SNVBAGLBSA-N 1 2 247.342 1.985 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001558088752 990923032 /nfs/dbraw/zinc/92/30/32/990923032.db2.gz YKHLKXHFSKPDPJ-NWDGAFQWSA-N 1 2 247.342 1.680 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCOC2(CC2)C1 ZINC001138397100 990937579 /nfs/dbraw/zinc/93/75/79/990937579.db2.gz STLLGSBXQMAMOV-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Oc1cccnc1C[N@H+]1CCOC2(CC2)C1 ZINC001138397100 990937587 /nfs/dbraw/zinc/93/75/87/990937587.db2.gz STLLGSBXQMAMOV-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO CCc1[nH]c(CNC(=O)c2[nH]ccc2C)c[nH+]1 ZINC001558497190 990947645 /nfs/dbraw/zinc/94/76/45/990947645.db2.gz DTRMSKGERNTTSQ-UHFFFAOYSA-N 1 2 232.287 1.539 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2[nH]ccc2C)[nH+]1 ZINC001558497190 990947651 /nfs/dbraw/zinc/94/76/51/990947651.db2.gz DTRMSKGERNTTSQ-UHFFFAOYSA-N 1 2 232.287 1.539 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC001558497962 990956883 /nfs/dbraw/zinc/95/68/83/990956883.db2.gz JFEHUDJUEBCTJM-MYJAWHEDSA-N 1 2 233.315 1.634 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC001558497962 990956890 /nfs/dbraw/zinc/95/68/90/990956890.db2.gz JFEHUDJUEBCTJM-MYJAWHEDSA-N 1 2 233.315 1.634 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)s1 ZINC001138493289 990966213 /nfs/dbraw/zinc/96/62/13/990966213.db2.gz VUIKECSPBSVUBP-MNOVXSKESA-N 1 2 238.356 1.787 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)s1 ZINC001138493289 990966222 /nfs/dbraw/zinc/96/62/22/990966222.db2.gz VUIKECSPBSVUBP-MNOVXSKESA-N 1 2 238.356 1.787 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)Cc2ccco2)[nH+]1 ZINC001558560280 990968835 /nfs/dbraw/zinc/96/88/35/990968835.db2.gz GZPRXQHWZXBMML-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)Cc2ccco2)c[nH+]1 ZINC001558560280 990968844 /nfs/dbraw/zinc/96/88/44/990968844.db2.gz GZPRXQHWZXBMML-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1cc(C[NH+]2CCN(C#N)CC2)c(C)s1 ZINC001138571352 990976380 /nfs/dbraw/zinc/97/63/80/990976380.db2.gz JYAQMGIEEFMGIM-UHFFFAOYSA-N 1 2 235.356 1.964 20 0 BDADLO c1cc2cc(C[N@@H+]3CCOCC34CC4)cnc2[nH]1 ZINC001138737057 991022940 /nfs/dbraw/zinc/02/29/40/991022940.db2.gz AXTSFJKZCHRCKA-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1cc2cc(C[N@H+]3CCOCC34CC4)cnc2[nH]1 ZINC001138737057 991022950 /nfs/dbraw/zinc/02/29/50/991022950.db2.gz AXTSFJKZCHRCKA-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO CC1(C)C[N@H+](Cc2cccc3ccnn32)CCO1 ZINC001138804737 991062791 /nfs/dbraw/zinc/06/27/91/991062791.db2.gz UUDQLZWAPCHWPV-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccc3ccnn32)CCO1 ZINC001138804737 991062798 /nfs/dbraw/zinc/06/27/98/991062798.db2.gz UUDQLZWAPCHWPV-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO c1cc2cccc(C[N@@H+]3CCOC4(CC4)C3)n2n1 ZINC001138809882 991070196 /nfs/dbraw/zinc/07/01/96/991070196.db2.gz GKGCXAXWSFIFEY-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cc2cccc(C[N@H+]3CCOC4(CC4)C3)n2n1 ZINC001138809882 991070201 /nfs/dbraw/zinc/07/02/01/991070201.db2.gz GKGCXAXWSFIFEY-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)nn1C ZINC001138826767 991079046 /nfs/dbraw/zinc/07/90/46/991079046.db2.gz VTZBAWCLRIUTNK-CABZTGNLSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)C[C@H]2CF)nn1C ZINC001138826767 991079054 /nfs/dbraw/zinc/07/90/54/991079054.db2.gz VTZBAWCLRIUTNK-CABZTGNLSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3cnccc3C2)n1 ZINC001138935391 991103788 /nfs/dbraw/zinc/10/37/88/991103788.db2.gz NASPHESGVHRXDS-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3cnccc3C2)n1 ZINC001138935391 991103794 /nfs/dbraw/zinc/10/37/94/991103794.db2.gz NASPHESGVHRXDS-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3nn(C)cc3C2)n1 ZINC001138938377 991107695 /nfs/dbraw/zinc/10/76/95/991107695.db2.gz KHMUGCHFXMRHTC-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3nn(C)cc3C2)n1 ZINC001138938377 991107702 /nfs/dbraw/zinc/10/77/02/991107702.db2.gz KHMUGCHFXMRHTC-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO COc1nn(C)cc1NCc1ccc[nH+]c1N ZINC001308728668 991111743 /nfs/dbraw/zinc/11/17/43/991111743.db2.gz KWVUXKPLXXPQNN-UHFFFAOYSA-N 1 2 233.275 1.018 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2nc(C)c[nH]2)C1 ZINC001138942809 991114044 /nfs/dbraw/zinc/11/40/44/991114044.db2.gz RFZLADMQRVWTSR-VIFPVBQESA-N 1 2 209.293 1.185 20 0 BDADLO CC(C)[N@H+](Cc1cccnc1N)C1COC1 ZINC001308782785 991130593 /nfs/dbraw/zinc/13/05/93/991130593.db2.gz RGVKEXLGXQADFS-UHFFFAOYSA-N 1 2 221.304 1.273 20 0 BDADLO CC(C)[N@@H+](Cc1cccnc1N)C1COC1 ZINC001308782785 991130602 /nfs/dbraw/zinc/13/06/02/991130602.db2.gz RGVKEXLGXQADFS-UHFFFAOYSA-N 1 2 221.304 1.273 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1F ZINC001139061042 991131043 /nfs/dbraw/zinc/13/10/43/991131043.db2.gz JLTMWJFXHSHOEZ-NWDGAFQWSA-N 1 2 235.258 1.947 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1F ZINC001139061042 991131049 /nfs/dbraw/zinc/13/10/49/991131049.db2.gz JLTMWJFXHSHOEZ-NWDGAFQWSA-N 1 2 235.258 1.947 20 0 BDADLO CCCn1cc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001139043598 991133701 /nfs/dbraw/zinc/13/37/01/991133701.db2.gz UQBNGVNUVQEVHQ-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO CCCn1cc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001139043598 991133705 /nfs/dbraw/zinc/13/37/05/991133705.db2.gz UQBNGVNUVQEVHQ-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO Cc1ccc(CNc2cc(CO)cc[nH+]2)cn1 ZINC001202891911 991135639 /nfs/dbraw/zinc/13/56/39/991135639.db2.gz HOWRTMJHNOACQM-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccncn1 ZINC001139103096 991148307 /nfs/dbraw/zinc/14/83/07/991148307.db2.gz VSCAVAQVBUHRMK-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccncn1 ZINC001139103096 991148316 /nfs/dbraw/zinc/14/83/16/991148316.db2.gz VSCAVAQVBUHRMK-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001139144417 991160571 /nfs/dbraw/zinc/16/05/71/991160571.db2.gz GGZKVKVZGWLWKV-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CCOC2(CC2)C1 ZINC001139144417 991160583 /nfs/dbraw/zinc/16/05/83/991160583.db2.gz GGZKVKVZGWLWKV-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO CCOc1ccncc1C[N@@H+]1CCOCC12CC2 ZINC001139632559 991299026 /nfs/dbraw/zinc/29/90/26/991299026.db2.gz RBYGJWCQULRMAJ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccncc1C[N@H+]1CCOCC12CC2 ZINC001139632559 991299039 /nfs/dbraw/zinc/29/90/39/991299039.db2.gz RBYGJWCQULRMAJ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccncc1C[N@@H+]1CC[C@H]1COC ZINC001139631856 991300937 /nfs/dbraw/zinc/30/09/37/991300937.db2.gz HQNOUNCGXDRBEV-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccncc1C[N@H+]1CC[C@H]1COC ZINC001139631856 991300946 /nfs/dbraw/zinc/30/09/46/991300946.db2.gz HQNOUNCGXDRBEV-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccncc1C[N@@H+]1CC[C@]12CCOC2 ZINC001139632111 991303392 /nfs/dbraw/zinc/30/33/92/991303392.db2.gz KKLZLZBLDOVZAK-CQSZACIVSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccncc1C[N@H+]1CC[C@]12CCOC2 ZINC001139632111 991303403 /nfs/dbraw/zinc/30/34/03/991303403.db2.gz KKLZLZBLDOVZAK-CQSZACIVSA-N 1 2 248.326 1.845 20 0 BDADLO c1cnc2cc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)cnc2c1 ZINC001139741180 991350409 /nfs/dbraw/zinc/35/04/09/991350409.db2.gz IAMKOXDQSFYFDD-RYUDHWBXSA-N 1 2 241.294 1.603 20 0 BDADLO c1cnc2cc(C[N@H+]3C[C@@H]4C[C@H]3CO4)cnc2c1 ZINC001139741180 991350416 /nfs/dbraw/zinc/35/04/16/991350416.db2.gz IAMKOXDQSFYFDD-RYUDHWBXSA-N 1 2 241.294 1.603 20 0 BDADLO Fc1cc(C[N@@H+]2CCn3nccc3C2)ccn1 ZINC001139835125 991389890 /nfs/dbraw/zinc/38/98/90/991389890.db2.gz LRIORRIQRBDSKK-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cc(C[N@H+]2CCn3nccc3C2)ccn1 ZINC001139835125 991389897 /nfs/dbraw/zinc/38/98/97/991389897.db2.gz LRIORRIQRBDSKK-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001328648645 991395737 /nfs/dbraw/zinc/39/57/37/991395737.db2.gz DOXFECJIZMPERR-UWVGGRQHSA-N 1 2 229.283 1.863 20 0 BDADLO CC[N@H+](Cc1ccnc(F)c1)C1CN(C)C1 ZINC001139835930 991396969 /nfs/dbraw/zinc/39/69/69/991396969.db2.gz UKFZNQUERFDPPV-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO CC[N@@H+](Cc1ccnc(F)c1)C1CN(C)C1 ZINC001139835930 991396974 /nfs/dbraw/zinc/39/69/74/991396974.db2.gz UKFZNQUERFDPPV-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)nc2)C[C@@H]1F ZINC001139928848 991418479 /nfs/dbraw/zinc/41/84/79/991418479.db2.gz FSFBKFLCKBECJJ-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)nc2)C[C@@H]1F ZINC001139928848 991418486 /nfs/dbraw/zinc/41/84/86/991418486.db2.gz FSFBKFLCKBECJJ-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO Cn1ccc(C[N@H+](C)CCOC2CC2)n1 ZINC001560218547 991420896 /nfs/dbraw/zinc/42/08/96/991420896.db2.gz GZULQDJSOVNKBP-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccc(C[N@@H+](C)CCOC2CC2)n1 ZINC001560218547 991420900 /nfs/dbraw/zinc/42/09/00/991420900.db2.gz GZULQDJSOVNKBP-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@]12CCC[C@H]1OCC2 ZINC001560235844 991433727 /nfs/dbraw/zinc/43/37/27/991433727.db2.gz XJYKZKXZRVLEET-ZYHUDNBSSA-N 1 2 236.319 1.196 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@]12CCC[C@H]1OCC2 ZINC001560235844 991433737 /nfs/dbraw/zinc/43/37/37/991433737.db2.gz XJYKZKXZRVLEET-ZYHUDNBSSA-N 1 2 236.319 1.196 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@@H+]1[C@@H](C)CC1CC1 ZINC001258471283 991434947 /nfs/dbraw/zinc/43/49/47/991434947.db2.gz XWMVTKQGKZEHNB-GWCFXTLKSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@H+]1[C@@H](C)CC1CC1 ZINC001258471283 991434950 /nfs/dbraw/zinc/43/49/50/991434950.db2.gz XWMVTKQGKZEHNB-GWCFXTLKSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH2+]Cc1noc(C)n1 ZINC001258471768 991442108 /nfs/dbraw/zinc/44/21/08/991442108.db2.gz FKBKEBLEXJAIKG-MRVPVSSYSA-N 1 2 241.291 1.199 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cccnn1 ZINC001139972748 991443215 /nfs/dbraw/zinc/44/32/15/991443215.db2.gz ZZPXWMXDVHFYPP-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cccnn1 ZINC001139972748 991443220 /nfs/dbraw/zinc/44/32/20/991443220.db2.gz ZZPXWMXDVHFYPP-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1ccnnc1 ZINC001139980637 991453358 /nfs/dbraw/zinc/45/33/58/991453358.db2.gz VLNHUWKIXXUKME-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1ccnnc1 ZINC001139980637 991453367 /nfs/dbraw/zinc/45/33/67/991453367.db2.gz VLNHUWKIXXUKME-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccnnc1 ZINC001139984302 991459575 /nfs/dbraw/zinc/45/95/75/991459575.db2.gz ZLEFXUZBMMZPPP-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccnnc1 ZINC001139984302 991459579 /nfs/dbraw/zinc/45/95/79/991459579.db2.gz ZLEFXUZBMMZPPP-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cnn1 ZINC001139985011 991460813 /nfs/dbraw/zinc/46/08/13/991460813.db2.gz HFEWVYVRNFZHIT-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CC2)cnn1 ZINC001139985011 991460817 /nfs/dbraw/zinc/46/08/17/991460817.db2.gz HFEWVYVRNFZHIT-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@H+](C)CC(=O)OCC ZINC001258490684 991462679 /nfs/dbraw/zinc/46/26/79/991462679.db2.gz FINWVWYXHOGZTO-JTQLQIEISA-N 1 2 245.319 1.213 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@@H+](C)CC(=O)OCC ZINC001258490684 991462683 /nfs/dbraw/zinc/46/26/83/991462683.db2.gz FINWVWYXHOGZTO-JTQLQIEISA-N 1 2 245.319 1.213 20 0 BDADLO CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC001317223991 991464635 /nfs/dbraw/zinc/46/46/35/991464635.db2.gz XOYIPFXQQLGEMK-SFYZADRCSA-N 1 2 242.348 1.103 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cn(C)nc1C ZINC001560471427 991483380 /nfs/dbraw/zinc/48/33/80/991483380.db2.gz OOPQSXMXFOYNNZ-NSHDSACASA-N 1 2 247.346 1.796 20 0 BDADLO Nc1nccnc1C[NH+]1CC2(CCC2)C1 ZINC001140011725 991483546 /nfs/dbraw/zinc/48/35/46/991483546.db2.gz ZHYFSPFJCQNTSB-UHFFFAOYSA-N 1 2 204.277 1.045 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001140051011 991501190 /nfs/dbraw/zinc/50/11/90/991501190.db2.gz RYXKHAGOPPCUCR-NEPJUHHUSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001140051011 991501199 /nfs/dbraw/zinc/50/11/99/991501199.db2.gz RYXKHAGOPPCUCR-NEPJUHHUSA-N 1 2 243.253 1.436 20 0 BDADLO COc1c(Cl)cccc1C[NH+]1CC(CO)C1 ZINC001140067929 991515038 /nfs/dbraw/zinc/51/50/38/991515038.db2.gz TUCXJPWIPKXUNN-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO OCc1nnc(C[NH2+]CC2CCCCCC2)[nH]1 ZINC001560626307 991529017 /nfs/dbraw/zinc/52/90/17/991529017.db2.gz JIWIAMJXACJOPZ-UHFFFAOYSA-N 1 2 238.335 1.357 20 0 BDADLO CC[C@H]1CCC[C@H]([NH2+]Cc2nnc(CO)[nH]2)C1 ZINC001560626555 991532349 /nfs/dbraw/zinc/53/23/49/991532349.db2.gz RTCJSKCLYOMOFG-UWVGGRQHSA-N 1 2 238.335 1.355 20 0 BDADLO CC[N@H+](Cc1cccc(F)n1)C1CN(C)C1 ZINC001140135916 991538602 /nfs/dbraw/zinc/53/86/02/991538602.db2.gz YBIHALAHVXIQGL-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO CC[N@@H+](Cc1cccc(F)n1)C1CN(C)C1 ZINC001140135916 991538615 /nfs/dbraw/zinc/53/86/15/991538615.db2.gz YBIHALAHVXIQGL-UHFFFAOYSA-N 1 2 223.295 1.357 20 0 BDADLO C[C@H](Cc1cccnc1)[N@@H+]1Cc2cncnc2C1 ZINC001258621844 991549350 /nfs/dbraw/zinc/54/93/50/991549350.db2.gz BLYALPIFLQCTKO-LLVKDONJSA-N 1 2 240.310 1.818 20 0 BDADLO C[C@H](Cc1cccnc1)[N@H+]1Cc2cncnc2C1 ZINC001258621844 991549356 /nfs/dbraw/zinc/54/93/56/991549356.db2.gz BLYALPIFLQCTKO-LLVKDONJSA-N 1 2 240.310 1.818 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)Cc2cccnc2)CC1=O ZINC001258629453 991572947 /nfs/dbraw/zinc/57/29/47/991572947.db2.gz BAQQPTSHQPAXPN-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@H+]([C@H](C)Cc2cccnc2)CC1=O ZINC001258629453 991572957 /nfs/dbraw/zinc/57/29/57/991572957.db2.gz BAQQPTSHQPAXPN-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO O=C1CC[N@@H+](Cc2ccncc2O)CC[C@@H]1F ZINC001140273717 991576175 /nfs/dbraw/zinc/57/61/75/991576175.db2.gz PVVRBCNOERDOJI-JTQLQIEISA-N 1 2 238.262 1.290 20 0 BDADLO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccncc1O ZINC001140276420 991585691 /nfs/dbraw/zinc/58/56/91/991585691.db2.gz DNMWTNZJKUWTOQ-TXEJJXNPSA-N 1 2 246.310 1.873 20 0 BDADLO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccncc1O ZINC001140276420 991585702 /nfs/dbraw/zinc/58/57/02/991585702.db2.gz DNMWTNZJKUWTOQ-TXEJJXNPSA-N 1 2 246.310 1.873 20 0 BDADLO CCCCCC(=O)NC1C[NH+](CCOCC)C1 ZINC001318001788 991609688 /nfs/dbraw/zinc/60/96/88/991609688.db2.gz FYWKTBRIHHHUJD-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140386590 991629966 /nfs/dbraw/zinc/62/99/66/991629966.db2.gz SUUFCWPEGLRWDE-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140386590 991629976 /nfs/dbraw/zinc/62/99/76/991629976.db2.gz SUUFCWPEGLRWDE-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO CCOC1C[NH+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140385153 991630755 /nfs/dbraw/zinc/63/07/55/991630755.db2.gz UYSNMBPMEKHILO-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318225754 991637678 /nfs/dbraw/zinc/63/76/78/991637678.db2.gz GXHJXYWHZDKYGJ-QWRGUYRKSA-N 1 2 223.320 1.947 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1CCC(F)(F)CC1 ZINC001140468582 991647351 /nfs/dbraw/zinc/64/73/51/991647351.db2.gz PQYFJNDFQBGELT-UHFFFAOYSA-N 1 2 245.229 1.119 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC001560951467 991666979 /nfs/dbraw/zinc/66/69/79/991666979.db2.gz JAPDDGZNGPEFPT-SECBINFHSA-N 1 2 209.293 1.193 20 0 BDADLO CO[C@H](C)C[N@H+]1CCCc2[nH]ncc2C1 ZINC001560951467 991666990 /nfs/dbraw/zinc/66/69/90/991666990.db2.gz JAPDDGZNGPEFPT-SECBINFHSA-N 1 2 209.293 1.193 20 0 BDADLO C[C@@H](C(=O)NCC(C1CC1)C1CC1)n1cc[nH+]c1 ZINC001318738329 991710068 /nfs/dbraw/zinc/71/00/68/991710068.db2.gz WIFNDESLVJOIKI-JTQLQIEISA-N 1 2 247.342 1.997 20 0 BDADLO C[C@@H](c1nc(CC2CC2)no1)n1cc[nH+]c1 ZINC001318764348 991711776 /nfs/dbraw/zinc/71/17/76/991711776.db2.gz IUUSCPMVMASKIJ-QMMMGPOBSA-N 1 2 218.260 1.828 20 0 BDADLO C[C@H](C(=O)N1C[C@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC001318997348 991759674 /nfs/dbraw/zinc/75/96/74/991759674.db2.gz TWZVLAJENSJYMS-OUAUKWLOSA-N 1 2 221.304 1.559 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1C ZINC001565569122 991788815 /nfs/dbraw/zinc/78/88/15/991788815.db2.gz ZWPXJARDVIBAJK-SNVBAGLBSA-N 1 2 248.330 1.628 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1C ZINC001565569122 991788826 /nfs/dbraw/zinc/78/88/26/991788826.db2.gz ZWPXJARDVIBAJK-SNVBAGLBSA-N 1 2 248.330 1.628 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1cccn1C)n1cc[nH+]c1 ZINC001319139483 991796461 /nfs/dbraw/zinc/79/64/61/991796461.db2.gz YGNMZDONNIGQPQ-NSHDSACASA-N 1 2 246.314 1.441 20 0 BDADLO CCN(CC1CC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001565685490 991799946 /nfs/dbraw/zinc/79/99/46/991799946.db2.gz AIAWGVCVJLRUDE-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1cc(C[S@](=O)Cc2c[nH+]cn2C)no1 ZINC001319164395 991805583 /nfs/dbraw/zinc/80/55/83/991805583.db2.gz RDFCSROPMRLJHS-INIZCTEOSA-N 1 2 239.300 1.165 20 0 BDADLO C[C@@H](C(=O)N1CCC1(C)C)n1cc[nH+]c1 ZINC001319319269 991839322 /nfs/dbraw/zinc/83/93/22/991839322.db2.gz ACXDSZUBDOLXRX-VIFPVBQESA-N 1 2 207.277 1.455 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCSC1 ZINC001567147074 991948921 /nfs/dbraw/zinc/94/89/21/991948921.db2.gz NDYNJCZYHXIRSL-SECBINFHSA-N 1 2 239.344 1.225 20 0 BDADLO CCC(=O)N(C)CC[N@H+](C)Cc1ccns1 ZINC001319967146 992047042 /nfs/dbraw/zinc/04/70/42/992047042.db2.gz WTSDSLDVHVGWED-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCC(=O)N(C)CC[N@@H+](C)Cc1ccns1 ZINC001319967146 992047053 /nfs/dbraw/zinc/04/70/53/992047053.db2.gz WTSDSLDVHVGWED-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO C[C@H](C(=O)Nc1cccc(O)c1F)n1cc[nH+]c1 ZINC001320325289 992171518 /nfs/dbraw/zinc/17/15/18/992171518.db2.gz BNHOURCPZMUVOE-MRVPVSSYSA-N 1 2 249.245 1.928 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NC(C)(C)C(F)F ZINC001568645999 992201901 /nfs/dbraw/zinc/20/19/01/992201901.db2.gz JVSACHABPALJBC-SSDOTTSWSA-N 1 2 220.263 1.241 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NC(C)(C)C(F)F ZINC001568645999 992201911 /nfs/dbraw/zinc/20/19/11/992201911.db2.gz JVSACHABPALJBC-SSDOTTSWSA-N 1 2 220.263 1.241 20 0 BDADLO Nc1cc(COC(=O)C2(CF)CCC2)cc[nH+]1 ZINC001261457847 992319597 /nfs/dbraw/zinc/31/95/97/992319597.db2.gz ADRKRVGOVBMUQI-UHFFFAOYSA-N 1 2 238.262 1.847 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ncnn1C ZINC001320999485 992426371 /nfs/dbraw/zinc/42/63/71/992426371.db2.gz NDJYNVGPQWMHHG-VHSXEESVSA-N 1 2 231.303 1.622 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCCOCC1 ZINC001261783576 992507659 /nfs/dbraw/zinc/50/76/59/992507659.db2.gz RLJDTNBSYKBMKB-GHMZBOCLSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1(CF)CCC1 ZINC001261783667 992509519 /nfs/dbraw/zinc/50/95/19/992509519.db2.gz UGLHHEARGHQLQC-VIFPVBQESA-N 1 2 237.278 1.584 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCc2ccnn2C)no1 ZINC001321298785 992511871 /nfs/dbraw/zinc/51/18/71/992511871.db2.gz LAHIGCVMDPEZFE-MRVPVSSYSA-N 1 2 235.291 1.005 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccnc(N)c2)s1 ZINC001321328231 992516761 /nfs/dbraw/zinc/51/67/61/992516761.db2.gz HUMXVHVOKHUPSY-SSDOTTSWSA-N 1 2 249.343 1.675 20 0 BDADLO CCC[C@H](CCO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001261880340 992555980 /nfs/dbraw/zinc/55/59/80/992555980.db2.gz XJNGONZRYDYUJX-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CC[C@H](O)C(C)C)no1 ZINC001262013672 992604424 /nfs/dbraw/zinc/60/44/24/992604424.db2.gz JHWLNEKCOIHSEM-SCZZXKLOSA-N 1 2 227.308 1.436 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1C[C@H]1[C@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001262152052 992696945 /nfs/dbraw/zinc/69/69/45/992696945.db2.gz CZLPMIITXLEVBE-RXGFPQBGSA-N 1 2 247.342 1.852 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cn(C)nn1 ZINC001262160775 992720891 /nfs/dbraw/zinc/72/08/91/992720891.db2.gz ORQHOALTOBDUPD-UWVGGRQHSA-N 1 2 246.318 1.197 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nc(C2CC2)no1 ZINC001262332778 992839220 /nfs/dbraw/zinc/83/92/20/992839220.db2.gz LFJMYLPXTILNRB-UWVGGRQHSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C2CC2)no1 ZINC001262332778 992839225 /nfs/dbraw/zinc/83/92/25/992839225.db2.gz LFJMYLPXTILNRB-UWVGGRQHSA-N 1 2 237.303 1.556 20 0 BDADLO Cc1cnc(NC(=O)C[NH+]2CCCC2)o1 ZINC001262340978 992847472 /nfs/dbraw/zinc/84/74/72/992847472.db2.gz UGRAQIMRRNWRTL-UHFFFAOYSA-N 1 2 209.249 1.017 20 0 BDADLO Cc1ncoc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001262347228 992849441 /nfs/dbraw/zinc/84/94/41/992849441.db2.gz XMUVLMXVSRFEHF-VIFPVBQESA-N 1 2 234.259 1.057 20 0 BDADLO C[C@H](C(=O)Nc1ccnn1C1CC1)n1cc[nH+]c1 ZINC001262348365 992851976 /nfs/dbraw/zinc/85/19/76/992851976.db2.gz FWVHRBMIIFAVQX-SECBINFHSA-N 1 2 245.286 1.614 20 0 BDADLO CCOCCCCNc1cc(N(C)C)nc[nH+]1 ZINC001262356752 992856085 /nfs/dbraw/zinc/85/60/85/992856085.db2.gz MJKSQKDUKBGXTC-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCOCCCCNc1cc(N(C)C)[nH+]cn1 ZINC001262356752 992856087 /nfs/dbraw/zinc/85/60/87/992856087.db2.gz MJKSQKDUKBGXTC-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO Cc1nc([C@H](C)Nc2cc(N(C)C)nc[nH+]2)no1 ZINC001262361384 992858124 /nfs/dbraw/zinc/85/81/24/992858124.db2.gz LQTAOCZFJKKQOK-ZETCQYMHSA-N 1 2 248.290 1.407 20 0 BDADLO Cc1nc([C@H](C)Nc2cc(N(C)C)[nH+]cn2)no1 ZINC001262361384 992858128 /nfs/dbraw/zinc/85/81/28/992858128.db2.gz LQTAOCZFJKKQOK-ZETCQYMHSA-N 1 2 248.290 1.407 20 0 BDADLO C=CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001262555183 992908115 /nfs/dbraw/zinc/90/81/15/992908115.db2.gz IGIRYZOZVRQRTK-UHFFFAOYSA-N 1 2 245.326 1.874 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccns1 ZINC001262619650 992969135 /nfs/dbraw/zinc/96/91/35/992969135.db2.gz FZLXEDWNEWJNCS-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2ccns2)[C@H](C)C1 ZINC001262624931 992974323 /nfs/dbraw/zinc/97/43/23/992974323.db2.gz VFSFJRFALDRRKT-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2ccns2)[C@H](C)C1 ZINC001262624931 992974331 /nfs/dbraw/zinc/97/43/31/992974331.db2.gz VFSFJRFALDRRKT-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CCNC(=O)CN(CC)c1ccc(CC)c[nH+]1 ZINC001262676930 993018289 /nfs/dbraw/zinc/01/82/89/993018289.db2.gz WCYRCHHTITURIX-UHFFFAOYSA-N 1 2 235.331 1.606 20 0 BDADLO Cc1cc(=O)[nH]c(NCCCCn2cc[nH+]c2)n1 ZINC001262689482 993029524 /nfs/dbraw/zinc/02/95/24/993029524.db2.gz AUVQUIHSEAACTD-UHFFFAOYSA-N 1 2 247.302 1.579 20 0 BDADLO Cc1[nH+]ccn1CCNc1cc(CO)cc(C)n1 ZINC001262704986 993048556 /nfs/dbraw/zinc/04/85/56/993048556.db2.gz SKKDJDZPNUXQIJ-UHFFFAOYSA-N 1 2 246.314 1.499 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001262805272 993068810 /nfs/dbraw/zinc/06/88/10/993068810.db2.gz LGWXPCMKHOONKW-IJLUTSLNSA-N 1 2 248.326 1.872 20 0 BDADLO CC1(C)CCC[C@H]([NH2+][C@@H](CO)c2c[nH]nn2)C1 ZINC001575945190 993136618 /nfs/dbraw/zinc/13/66/18/993136618.db2.gz HIGXYIIDMQHHPI-ONGXEEELSA-N 1 2 238.335 1.397 20 0 BDADLO CC1(C)C(C)(C)C1(C)NC(=O)C[C@H]([NH3+])C(F)F ZINC001263260105 993194349 /nfs/dbraw/zinc/19/43/49/993194349.db2.gz QNPSXETYRLJHAU-ZETCQYMHSA-N 1 2 248.317 1.910 20 0 BDADLO CCc1ncnc(NC2C[NH+](C(C)C)C2)c1F ZINC000379120471 993218471 /nfs/dbraw/zinc/21/84/71/993218471.db2.gz NVHFBDYLVNFNIY-UHFFFAOYSA-N 1 2 238.310 1.683 20 0 BDADLO CC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000585336102 993254673 /nfs/dbraw/zinc/25/46/73/993254673.db2.gz SGWJZDJWNHZMSI-LBPRGKRZSA-N 1 2 220.272 1.471 20 0 BDADLO Nc1cccc(CN2CCC(F)(F)C2)[nH+]1 ZINC000380271168 993322852 /nfs/dbraw/zinc/32/28/52/993322852.db2.gz WDHVWRQGKLSYQB-UHFFFAOYSA-N 1 2 213.231 1.505 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCC(C)(C)O)no1 ZINC000380338530 993327134 /nfs/dbraw/zinc/32/71/34/993327134.db2.gz QXSTWVSXYWNLLA-SSDOTTSWSA-N 1 2 213.281 1.190 20 0 BDADLO Cc1[nH]cnc1C(=O)OCCCc1[nH+]ccn1C ZINC001263470563 993328614 /nfs/dbraw/zinc/32/86/14/993328614.db2.gz GSOXHDIFVAXLQO-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001263500921 993344204 /nfs/dbraw/zinc/34/42/04/993344204.db2.gz ZVFZPAZJSYUPRQ-ZYHUDNBSSA-N 1 2 248.326 1.961 20 0 BDADLO CNc1cc(CNC(=O)N[C@H]2CC2(C)C)cc[nH+]1 ZINC001263764327 993494732 /nfs/dbraw/zinc/49/47/32/993494732.db2.gz GFXYLCQXUXBGGW-JTQLQIEISA-N 1 2 248.330 1.721 20 0 BDADLO C[C@H]1Cc2cnccc2N1C(=O)Cc1c[nH]c[nH+]1 ZINC001263871748 993571118 /nfs/dbraw/zinc/57/11/18/993571118.db2.gz YPWPZJUBCKQZPK-VIFPVBQESA-N 1 2 242.282 1.325 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001263921706 993604429 /nfs/dbraw/zinc/60/44/29/993604429.db2.gz CQACPCQSWDJQTM-KXNHARMFSA-N 1 2 247.342 1.371 20 0 BDADLO CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001264360564 993711258 /nfs/dbraw/zinc/71/12/58/993711258.db2.gz REACZLRONKBPOZ-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001264360564 993711268 /nfs/dbraw/zinc/71/12/68/993711268.db2.gz REACZLRONKBPOZ-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO CN1CCOC[C@@H]1CNc1ccc2c([nH+]1)CCC2 ZINC000700196852 993824732 /nfs/dbraw/zinc/82/47/32/993824732.db2.gz DTMKUXSZRLDZKA-LBPRGKRZSA-N 1 2 247.342 1.313 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cccc(O)c2)[nH]1 ZINC000392387965 993859161 /nfs/dbraw/zinc/85/91/61/993859161.db2.gz RIVLVRFNCBIFKH-UHFFFAOYSA-N 1 2 232.287 1.363 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(N)n1 ZINC000701868095 993933546 /nfs/dbraw/zinc/93/35/46/993933546.db2.gz OZMKORORRABCLB-NSHDSACASA-N 1 2 223.295 1.906 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@H](F)C2)c(N)n1 ZINC000701868095 993933559 /nfs/dbraw/zinc/93/35/59/993933559.db2.gz OZMKORORRABCLB-NSHDSACASA-N 1 2 223.295 1.906 20 0 BDADLO O=C(NC1CC(F)(F)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332456878 994110662 /nfs/dbraw/zinc/11/06/62/994110662.db2.gz WJQUYYGYZXPPGM-HTQZYQBOSA-N 1 2 241.241 1.427 20 0 BDADLO O=C(NC1CC(F)(F)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332456878 994110678 /nfs/dbraw/zinc/11/06/78/994110678.db2.gz WJQUYYGYZXPPGM-HTQZYQBOSA-N 1 2 241.241 1.427 20 0 BDADLO CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCF)CC1 ZINC001316604998 994127070 /nfs/dbraw/zinc/12/70/70/994127070.db2.gz NBCXMHNILWSQAM-NSHDSACASA-N 1 2 242.338 1.679 20 0 BDADLO CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CCF)CC1 ZINC001316604998 994127075 /nfs/dbraw/zinc/12/70/75/994127075.db2.gz NBCXMHNILWSQAM-NSHDSACASA-N 1 2 242.338 1.679 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001294145427 994683282 /nfs/dbraw/zinc/68/32/82/994683282.db2.gz IGYZZWCIHGJZCD-SFYZADRCSA-N 1 2 241.241 1.066 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ncon1 ZINC001335484200 994787661 /nfs/dbraw/zinc/78/76/61/994787661.db2.gz XGYOIMRQLNOTTR-CMPLNLGQSA-N 1 2 247.298 1.324 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnco1 ZINC001297440720 994867002 /nfs/dbraw/zinc/86/70/02/994867002.db2.gz UPAGBARCASLULM-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO Cc1cc(F)cc(N(C)Cc2nccn2C)[nH+]1 ZINC001336444770 995026519 /nfs/dbraw/zinc/02/65/19/995026519.db2.gz IYOSEYYQZOHNFZ-UHFFFAOYSA-N 1 2 234.278 1.899 20 0 BDADLO c1nnc(C[NH2+][C@H](c2ccncc2)C2CC2)[nH]1 ZINC001336477066 995046001 /nfs/dbraw/zinc/04/60/01/995046001.db2.gz MLKXWXXUUSPWNB-LBPRGKRZSA-N 1 2 229.287 1.441 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)o1 ZINC001336731302 995089432 /nfs/dbraw/zinc/08/94/32/995089432.db2.gz DFVOHHYONNGEIT-UHFFFAOYSA-N 1 2 248.286 1.385 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccc(O)c1 ZINC001301532289 995091060 /nfs/dbraw/zinc/09/10/60/995091060.db2.gz MSUIBJKSZPSMGD-LLVKDONJSA-N 1 2 243.266 1.464 20 0 BDADLO C/C=C\[C@H](O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304107738 995189703 /nfs/dbraw/zinc/18/97/03/995189703.db2.gz KUIWAPAKIUHHAJ-LWTINBJPSA-N 1 2 237.303 1.086 20 0 BDADLO C/C=C\[C@H](O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304107738 995189711 /nfs/dbraw/zinc/18/97/11/995189711.db2.gz KUIWAPAKIUHHAJ-LWTINBJPSA-N 1 2 237.303 1.086 20 0 BDADLO CCc1cn(C[C@H]2CC3(CC3)C(=O)O2)c[nH+]1 ZINC001307397532 995344885 /nfs/dbraw/zinc/34/48/85/995344885.db2.gz RPQBJFIPDLLGIZ-SNVBAGLBSA-N 1 2 220.272 1.541 20 0 BDADLO CCC1(O)CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001307499661 995382654 /nfs/dbraw/zinc/38/26/54/995382654.db2.gz MZGBVDBZJURSKA-VIFPVBQESA-N 1 2 238.335 1.411 20 0 BDADLO CCOCC[N@H+](C)Cc1csnc1OC ZINC001307609521 995418010 /nfs/dbraw/zinc/41/80/10/995418010.db2.gz PRZKIDFNNPBOKE-UHFFFAOYSA-N 1 2 230.333 1.620 20 0 BDADLO CCOCC[N@@H+](C)Cc1csnc1OC ZINC001307609521 995418015 /nfs/dbraw/zinc/41/80/15/995418015.db2.gz PRZKIDFNNPBOKE-UHFFFAOYSA-N 1 2 230.333 1.620 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001307724418 995444334 /nfs/dbraw/zinc/44/43/34/995444334.db2.gz PIGGENJHIVOQBB-KCJUWKMLSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001307724418 995444338 /nfs/dbraw/zinc/44/43/38/995444338.db2.gz PIGGENJHIVOQBB-KCJUWKMLSA-N 1 2 239.344 1.446 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1ccn(C)n1 ZINC001308151928 995574569 /nfs/dbraw/zinc/57/45/69/995574569.db2.gz QSCMGWNOBKSFRU-UHFFFAOYSA-N 1 2 211.309 1.277 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1ccn(C)n1 ZINC001308151928 995574579 /nfs/dbraw/zinc/57/45/79/995574579.db2.gz QSCMGWNOBKSFRU-UHFFFAOYSA-N 1 2 211.309 1.277 20 0 BDADLO CC1([NH3+])CC[NH+](Cc2cc(C(=O)[O-])co2)CC1 ZINC001594047725 997715257 /nfs/dbraw/zinc/71/52/57/997715257.db2.gz RAMDLCALKKJBPT-UHFFFAOYSA-N 1 2 238.287 1.291 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC000296009273 398136583 /nfs/dbraw/zinc/13/65/83/398136583.db2.gz LKNKGSUYGIHVOF-GFCCVEGCSA-N 1 2 239.294 1.809 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC000296009273 398136585 /nfs/dbraw/zinc/13/65/85/398136585.db2.gz LKNKGSUYGIHVOF-GFCCVEGCSA-N 1 2 239.294 1.809 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000296009277 398137437 /nfs/dbraw/zinc/13/74/37/398137437.db2.gz LKNKGSUYGIHVOF-LBPRGKRZSA-N 1 2 239.294 1.809 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000296009277 398137439 /nfs/dbraw/zinc/13/74/39/398137439.db2.gz LKNKGSUYGIHVOF-LBPRGKRZSA-N 1 2 239.294 1.809 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CCO[C@H]2C[C@H]21 ZINC000644865488 398138033 /nfs/dbraw/zinc/13/80/33/398138033.db2.gz RFLFWISAXMUKPS-NEPJUHHUSA-N 1 2 247.273 1.690 20 0 BDADLO Cc1cnc(CNc2ccc(CO)c[nH+]2)s1 ZINC000296869706 398141444 /nfs/dbraw/zinc/14/14/44/398141444.db2.gz PKRBMLGHCOIMJJ-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO CS[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602126370 349456549 /nfs/dbraw/zinc/45/65/49/349456549.db2.gz ASEJWRGRTVBWPS-IWSPIJDZSA-N 1 2 239.344 1.381 20 0 BDADLO CS[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602126370 349456553 /nfs/dbraw/zinc/45/65/53/349456553.db2.gz ASEJWRGRTVBWPS-IWSPIJDZSA-N 1 2 239.344 1.381 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000084862387 136211712 /nfs/dbraw/zinc/21/17/12/136211712.db2.gz UPZIFOILAYCVKN-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1F ZINC000084862387 136211713 /nfs/dbraw/zinc/21/17/13/136211713.db2.gz UPZIFOILAYCVKN-LLVKDONJSA-N 1 2 240.253 1.415 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320141 398143346 /nfs/dbraw/zinc/14/33/46/398143346.db2.gz FUIZQKGDOIDAGK-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320141 398143348 /nfs/dbraw/zinc/14/33/48/398143348.db2.gz FUIZQKGDOIDAGK-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC(C)C[N@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000062742713 349491302 /nfs/dbraw/zinc/49/13/02/349491302.db2.gz SAEXZMUJWVTAQZ-UHFFFAOYSA-N 1 2 239.319 1.316 20 0 BDADLO CC(C)C[N@@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000062742713 349491304 /nfs/dbraw/zinc/49/13/04/349491304.db2.gz SAEXZMUJWVTAQZ-UHFFFAOYSA-N 1 2 239.319 1.316 20 0 BDADLO CCC(CC)(C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000310442228 168326922 /nfs/dbraw/zinc/32/69/22/168326922.db2.gz WBBKNLMBOLLUHN-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1(C)CCCC1 ZINC000188450980 346812328 /nfs/dbraw/zinc/81/23/28/346812328.db2.gz KGOFJBGGHIIXFE-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCC(CC)([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000336680633 168330956 /nfs/dbraw/zinc/33/09/56/168330956.db2.gz OEZRPFPQUVUCFR-JTQLQIEISA-N 1 2 231.336 1.325 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)no1 ZINC000361426278 177985911 /nfs/dbraw/zinc/98/59/11/177985911.db2.gz MZVKHIDEYFKJFS-SECBINFHSA-N 1 2 246.257 1.433 20 0 BDADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)no1 ZINC000361426278 177985914 /nfs/dbraw/zinc/98/59/14/177985914.db2.gz MZVKHIDEYFKJFS-SECBINFHSA-N 1 2 246.257 1.433 20 0 BDADLO Cc1cc(C[NH+]2CCC(n3cncn3)CC2)no1 ZINC000336717669 177986752 /nfs/dbraw/zinc/98/67/52/177986752.db2.gz UFTZIFXTECWNSA-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H](C)CCO)no1 ZINC000649866977 398148238 /nfs/dbraw/zinc/14/82/38/398148238.db2.gz BDGCQTDPXXRIDP-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H](C)CCO)no1 ZINC000649866977 398148241 /nfs/dbraw/zinc/14/82/41/398148241.db2.gz BDGCQTDPXXRIDP-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCCC3)ncn1 ZINC000293190319 177996271 /nfs/dbraw/zinc/99/62/71/177996271.db2.gz OGSYSZKMIAVPJI-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCCC3)ncn1 ZINC000293190319 177996274 /nfs/dbraw/zinc/99/62/74/177996274.db2.gz OGSYSZKMIAVPJI-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)n(C)n1 ZINC000334942968 178005112 /nfs/dbraw/zinc/00/51/12/178005112.db2.gz FMASGKQZTXFRPR-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)n(C)n1 ZINC000334942968 178005114 /nfs/dbraw/zinc/00/51/14/178005114.db2.gz FMASGKQZTXFRPR-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H](C)CCO)[nH]1 ZINC000649871054 398153617 /nfs/dbraw/zinc/15/36/17/398153617.db2.gz QOYMNNIZIULURW-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H](C)CCO)[nH]1 ZINC000649871054 398153619 /nfs/dbraw/zinc/15/36/19/398153619.db2.gz QOYMNNIZIULURW-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO Cc1cnc(NCCCCn2cc[nH+]c2)nc1 ZINC000063048886 349505170 /nfs/dbraw/zinc/50/51/70/349505170.db2.gz VACBREWOBUVMND-UHFFFAOYSA-N 1 2 231.303 1.874 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccn1 ZINC000563369339 398167705 /nfs/dbraw/zinc/16/77/05/398167705.db2.gz JPNDDGXFIQEAKB-SNVBAGLBSA-N 1 2 244.298 1.300 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccn1 ZINC000563369339 398167706 /nfs/dbraw/zinc/16/77/06/398167706.db2.gz JPNDDGXFIQEAKB-SNVBAGLBSA-N 1 2 244.298 1.300 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)ccn1 ZINC000527537515 398171808 /nfs/dbraw/zinc/17/18/08/398171808.db2.gz CNASDJJVFKQLNZ-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)ccn1 ZINC000527537515 398171811 /nfs/dbraw/zinc/17/18/11/398171811.db2.gz CNASDJJVFKQLNZ-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)no1 ZINC000649902589 398176330 /nfs/dbraw/zinc/17/63/30/398176330.db2.gz CBBHDHCFVDAVQO-SNVBAGLBSA-N 1 2 243.257 1.863 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)no1 ZINC000649902589 398176336 /nfs/dbraw/zinc/17/63/36/398176336.db2.gz CBBHDHCFVDAVQO-SNVBAGLBSA-N 1 2 243.257 1.863 20 0 BDADLO C[C@H]1SCC[N@H+](CCc2cnn[nH]2)[C@@H]1C ZINC000647964445 398178365 /nfs/dbraw/zinc/17/83/65/398178365.db2.gz KFAUIXCHBTYALW-RKDXNWHRSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@H]1SCC[N@@H+](CCc2cnn[nH]2)[C@@H]1C ZINC000647964445 398178367 /nfs/dbraw/zinc/17/83/67/398178367.db2.gz KFAUIXCHBTYALW-RKDXNWHRSA-N 1 2 226.349 1.173 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000277900635 398179453 /nfs/dbraw/zinc/17/94/53/398179453.db2.gz UKBWIXGYJDVCOE-WDSKDSINSA-N 1 2 230.699 1.548 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000277900635 398179457 /nfs/dbraw/zinc/17/94/57/398179457.db2.gz UKBWIXGYJDVCOE-WDSKDSINSA-N 1 2 230.699 1.548 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649908509 398183895 /nfs/dbraw/zinc/18/38/95/398183895.db2.gz PTBMZPMLKYHUHK-VIFPVBQESA-N 1 2 228.246 1.344 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649908509 398183898 /nfs/dbraw/zinc/18/38/98/398183898.db2.gz PTBMZPMLKYHUHK-VIFPVBQESA-N 1 2 228.246 1.344 20 0 BDADLO COCc1nc(C[NH+]2CCCCC2)no1 ZINC000161894694 349513666 /nfs/dbraw/zinc/51/36/66/349513666.db2.gz YDKKJHZIPJIFEK-UHFFFAOYSA-N 1 2 211.265 1.202 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ncc[nH]2)CCS1 ZINC000072836667 398188518 /nfs/dbraw/zinc/18/85/18/398188518.db2.gz UVKLCOUMBOAXHQ-SNVBAGLBSA-N 1 2 225.361 1.983 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ncc[nH]2)CCS1 ZINC000072836667 398188520 /nfs/dbraw/zinc/18/85/20/398188520.db2.gz UVKLCOUMBOAXHQ-SNVBAGLBSA-N 1 2 225.361 1.983 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nncn1C ZINC000276871214 178085437 /nfs/dbraw/zinc/08/54/37/178085437.db2.gz LOOLMNYZFLHZPP-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)Cc1nncn1C ZINC000276871214 178085439 /nfs/dbraw/zinc/08/54/39/178085439.db2.gz LOOLMNYZFLHZPP-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000649938183 398191718 /nfs/dbraw/zinc/19/17/18/398191718.db2.gz RDMYHBLRUAVEMU-UTLUCORTSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000649938183 398191720 /nfs/dbraw/zinc/19/17/20/398191720.db2.gz RDMYHBLRUAVEMU-UTLUCORTSA-N 1 2 216.300 1.333 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000649938185 398191911 /nfs/dbraw/zinc/19/19/11/398191911.db2.gz REENQEPGBQMCKP-VWYCJHECSA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000649938185 398191912 /nfs/dbraw/zinc/19/19/12/398191912.db2.gz REENQEPGBQMCKP-VWYCJHECSA-N 1 2 230.327 1.724 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC000647966643 398192702 /nfs/dbraw/zinc/19/27/02/398192702.db2.gz BMWOYHMGJRSABS-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC000647966643 398192705 /nfs/dbraw/zinc/19/27/05/398192705.db2.gz BMWOYHMGJRSABS-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1[nH]c(=O)[nH]c1C(=O)Nc1ccc(C)[nH+]c1C ZINC000576238659 365534251 /nfs/dbraw/zinc/53/42/51/365534251.db2.gz DLHCNICCNAYWNV-UHFFFAOYSA-N 1 2 246.270 1.688 20 0 BDADLO C[C@H](N[C@@H](C)c1[nH+]ccn1C)c1ccon1 ZINC000336747809 398196789 /nfs/dbraw/zinc/19/67/89/398196789.db2.gz SFQXDERWKHZSRV-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1cc(N)nc(S[C@H]2CCCCC2=O)[nH+]1 ZINC000071858217 178109672 /nfs/dbraw/zinc/10/96/72/178109672.db2.gz JZXYGOVWMIPIFM-VIFPVBQESA-N 1 2 237.328 1.971 20 0 BDADLO Cc1cc(N2CC(CO)C2)nc(C2CC2)[nH+]1 ZINC000182583946 178113000 /nfs/dbraw/zinc/11/30/00/178113000.db2.gz XKDKJUSRLLVZOJ-UHFFFAOYSA-N 1 2 219.288 1.091 20 0 BDADLO Cc1cc(N2CCC[C@@H]2CCO)nc[nH+]1 ZINC000336656114 178114054 /nfs/dbraw/zinc/11/40/54/178114054.db2.gz AFGCPQIZGSLHHQ-SNVBAGLBSA-N 1 2 207.277 1.136 20 0 BDADLO CCCCNc1cc(NC[C@@H]2C[C@@H]2C)nc(N)[nH+]1 ZINC000341783904 398185489 /nfs/dbraw/zinc/18/54/89/398185489.db2.gz YVFZPOUWXZMAOV-UWVGGRQHSA-N 1 2 249.362 1.591 20 0 BDADLO CCCCNc1cc(NC[C@@H]2C[C@@H]2C)[nH+]c(N)n1 ZINC000341783904 398185490 /nfs/dbraw/zinc/18/54/90/398185490.db2.gz YVFZPOUWXZMAOV-UWVGGRQHSA-N 1 2 249.362 1.591 20 0 BDADLO Cc1cc(N2CC[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000061707336 178119547 /nfs/dbraw/zinc/11/95/47/178119547.db2.gz BYJFCIFSIHTXSM-JTQLQIEISA-N 1 2 221.304 1.479 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000302734405 178121170 /nfs/dbraw/zinc/12/11/70/178121170.db2.gz VSUCIEBMMQHCFK-PWSUYJOCSA-N 1 2 249.358 1.973 20 0 BDADLO Cc1cc(NC(=O)CC2OCCCO2)cc[nH+]1 ZINC000193240765 178127290 /nfs/dbraw/zinc/12/72/90/178127290.db2.gz SCCCHNWWGZWKDF-UHFFFAOYSA-N 1 2 236.271 1.482 20 0 BDADLO Cn1cnc(C[NH2+]C/C=C/c2ccccc2)n1 ZINC000092851256 398206528 /nfs/dbraw/zinc/20/65/28/398206528.db2.gz CEAMIARSNFGUIP-VMPITWQZSA-N 1 2 228.299 1.618 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(F)F ZINC000163093165 538926217 /nfs/dbraw/zinc/92/62/17/538926217.db2.gz LKMUMMQXUAMLTI-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(F)F ZINC000163093165 538926219 /nfs/dbraw/zinc/92/62/19/538926219.db2.gz LKMUMMQXUAMLTI-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1cc(NC(=O)N2CC(C(C)(C)O)C2)cc[nH+]1 ZINC000278546399 178135652 /nfs/dbraw/zinc/13/56/52/178135652.db2.gz KREXLOGLQQDHPC-UHFFFAOYSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(C)n(CC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000073069523 178136038 /nfs/dbraw/zinc/13/60/38/178136038.db2.gz NWCYIHYTZMJCBC-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CCCOC2)cc[nH+]1 ZINC000179802651 178140177 /nfs/dbraw/zinc/14/01/77/178140177.db2.gz PGRMCYAZOTUKFP-LLVKDONJSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1nc(CNC(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000119817106 178140646 /nfs/dbraw/zinc/14/06/46/178140646.db2.gz PVHAYGSFERXPJN-UHFFFAOYSA-N 1 2 247.258 1.403 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)CCCO)cc[nH+]1 ZINC000271135871 178141203 /nfs/dbraw/zinc/14/12/03/178141203.db2.gz OLJFAIDSFLQZFE-VIFPVBQESA-N 1 2 237.303 1.673 20 0 BDADLO CCc1cc(N[C@H](CC)[C@H](C)O)nc[nH+]1 ZINC000386668271 398215076 /nfs/dbraw/zinc/21/50/76/398215076.db2.gz FWPGHLHABVAEQT-WCBMZHEXSA-N 1 2 209.293 1.610 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCOC2)cc[nH+]1 ZINC000066897432 178147423 /nfs/dbraw/zinc/14/74/23/178147423.db2.gz YJJXDHZZZVTYFN-VIFPVBQESA-N 1 2 206.245 1.365 20 0 BDADLO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000301232087 178165252 /nfs/dbraw/zinc/16/52/52/178165252.db2.gz JORLQXVIIUBZNE-SNVBAGLBSA-N 1 2 231.303 1.730 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnc(C#N)c2)[C@@H]1C ZINC000380376624 343984644 /nfs/dbraw/zinc/98/46/44/343984644.db2.gz DHVNYFLZGXDKHL-GHMZBOCLSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1C ZINC000380376624 343984646 /nfs/dbraw/zinc/98/46/46/343984646.db2.gz DHVNYFLZGXDKHL-GHMZBOCLSA-N 1 2 231.299 1.562 20 0 BDADLO Cc1cc(NCC(=O)NC(C)C)nc(C2CC2)[nH+]1 ZINC000116259882 178154448 /nfs/dbraw/zinc/15/44/48/178154448.db2.gz RLSGOQLYBGXYAF-UHFFFAOYSA-N 1 2 248.330 1.599 20 0 BDADLO Cc1n[nH]cc1CCCNc1cc(C)[nH+]cn1 ZINC000050182944 178160102 /nfs/dbraw/zinc/16/01/02/178160102.db2.gz FZFGTAQFDPODAP-UHFFFAOYSA-N 1 2 231.303 1.861 20 0 BDADLO CCC(CC)CC(=O)NCc1[nH]cc[nH+]1 ZINC000129627473 168345380 /nfs/dbraw/zinc/34/53/80/168345380.db2.gz QQRWENWDQVTNQQ-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO Cc1cc(NCC[C@H](C)[S@@](C)=O)nc[nH+]1 ZINC000133133076 178163634 /nfs/dbraw/zinc/16/36/34/178163634.db2.gz RKPAGMHPOLRAQP-VFZGTOFNSA-N 1 2 227.333 1.354 20 0 BDADLO Cc1cc(NC[C@@H]2CCCCO2)nc[nH+]1 ZINC000042822060 178164554 /nfs/dbraw/zinc/16/45/54/178164554.db2.gz ITEUBXBBKYLPEW-JTQLQIEISA-N 1 2 207.277 1.766 20 0 BDADLO Cc1cc(NCc2cc(C(N)=O)co2)nc[nH+]1 ZINC000302400020 178171225 /nfs/dbraw/zinc/17/12/25/178171225.db2.gz JVZYUANABRIXSX-UHFFFAOYSA-N 1 2 232.243 1.089 20 0 BDADLO Cc1cc(NCc2ccnc3ccnn32)nc[nH+]1 ZINC000302070520 178175152 /nfs/dbraw/zinc/17/51/52/178175152.db2.gz UICPNSLOSXLPPS-UHFFFAOYSA-N 1 2 240.270 1.440 20 0 BDADLO Cc1cc(N[C@@H](C)CO)nc(-c2cccnc2)[nH+]1 ZINC000110098367 178178696 /nfs/dbraw/zinc/17/86/96/178178696.db2.gz CYBJROYRZBTROL-JTQLQIEISA-N 1 2 244.298 1.640 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc(C)[nH+]cn2)n[nH]1 ZINC000133534537 178179191 /nfs/dbraw/zinc/17/91/91/178179191.db2.gz HANFAKBDXQNFLH-VIFPVBQESA-N 1 2 231.303 1.860 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc(C)[nH+]cn2)[nH]n1 ZINC000133534537 178179193 /nfs/dbraw/zinc/17/91/93/178179193.db2.gz HANFAKBDXQNFLH-VIFPVBQESA-N 1 2 231.303 1.860 20 0 BDADLO Cc1cc(N[C@H]2CCC(=O)NC2)nc(C2CC2)[nH+]1 ZINC000265326707 178188887 /nfs/dbraw/zinc/18/88/87/178188887.db2.gz FVILCJYODVSVNR-JTQLQIEISA-N 1 2 246.314 1.353 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H]3OCCC[C@@H]23)nc[nH+]1 ZINC000302543232 178184241 /nfs/dbraw/zinc/18/42/41/178184241.db2.gz IDIFAOYUYZDGTP-HBNTYKKESA-N 1 2 219.288 1.764 20 0 BDADLO Cc1cc(N[C@H](C)CCS(C)(=O)=O)nc[nH+]1 ZINC000301639123 178185353 /nfs/dbraw/zinc/18/53/53/178185353.db2.gz AWMPDRJOXMVNTM-MRVPVSSYSA-N 1 2 243.332 1.020 20 0 BDADLO Cc1cc(N[C@H](CCO)c2ccco2)nc[nH+]1 ZINC000302225351 178187601 /nfs/dbraw/zinc/18/76/01/178187601.db2.gz RHEGLQUQRNNYJX-SNVBAGLBSA-N 1 2 233.271 1.914 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCC[C@H]1F)n1cc[nH+]c1 ZINC000650060073 398229714 /nfs/dbraw/zinc/22/97/14/398229714.db2.gz CJHKOCQPAHWJRR-MXWKQRLJSA-N 1 2 239.294 1.841 20 0 BDADLO Cc1ccc(CN(C)C(=O)CCc2c[nH+]c[nH]2)o1 ZINC000276539981 538932702 /nfs/dbraw/zinc/93/27/02/538932702.db2.gz FAOASWNEOOBFNT-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cc1ccc(CN(C)C(=O)CCc2c[nH]c[nH+]2)o1 ZINC000276539981 538932703 /nfs/dbraw/zinc/93/27/03/538932703.db2.gz FAOASWNEOOBFNT-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CCc1cc(N2CC[C@@H](C)[C@H]2CO)nc(C)[nH+]1 ZINC000276039739 538931881 /nfs/dbraw/zinc/93/18/81/538931881.db2.gz NFPSDKYGRDGZCH-BXKDBHETSA-N 1 2 235.331 1.555 20 0 BDADLO CCc1nc([C@H](C)Nc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000275794361 538932059 /nfs/dbraw/zinc/93/20/59/538932059.db2.gz JIPFGEYEYOWPKM-QMMMGPOBSA-N 1 2 246.318 1.947 20 0 BDADLO CC(C)c1cc(NC(=O)CCc2c[nH+]c[nH]2)n[nH]1 ZINC000276477300 538932262 /nfs/dbraw/zinc/93/22/62/538932262.db2.gz RLCUTQDLPMVNAX-UHFFFAOYSA-N 1 2 247.302 1.828 20 0 BDADLO CC(C)c1cc(NC(=O)CCc2c[nH]c[nH+]2)n[nH]1 ZINC000276477300 538932263 /nfs/dbraw/zinc/93/22/63/538932263.db2.gz RLCUTQDLPMVNAX-UHFFFAOYSA-N 1 2 247.302 1.828 20 0 BDADLO c1cn(Cc2nc([C@H]3CCCS3)no2)c[nH+]1 ZINC000277877214 538934564 /nfs/dbraw/zinc/93/45/64/538934564.db2.gz KSSIROVABWFXCX-MRVPVSSYSA-N 1 2 236.300 1.883 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC(C)(C)C ZINC000070819102 361768899 /nfs/dbraw/zinc/76/88/99/361768899.db2.gz IAYKDDVIVRVLJN-UHFFFAOYSA-N 1 2 245.348 1.217 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CC(=O)NCC2CC2)no1 ZINC000280903548 178222504 /nfs/dbraw/zinc/22/25/04/178222504.db2.gz FCFFDNQMPGHXTH-SECBINFHSA-N 1 2 237.303 1.160 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(F)c1 ZINC000334233411 136224579 /nfs/dbraw/zinc/22/45/79/136224579.db2.gz OICYJYWSIQMAAA-UHFFFAOYSA-N 1 2 248.261 1.881 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)no1 ZINC000282874385 178226894 /nfs/dbraw/zinc/22/68/94/178226894.db2.gz VJLKVRBEWGVHLH-SVRRBLITSA-N 1 2 238.209 1.557 20 0 BDADLO CCCCCOC1C[NH+](C[C@H](O)COCC)C1 ZINC000517215053 259305207 /nfs/dbraw/zinc/30/52/07/259305207.db2.gz AOECLAXWSIJDSU-LBPRGKRZSA-N 1 2 245.363 1.275 20 0 BDADLO CC(C)c1cccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000334494106 136226000 /nfs/dbraw/zinc/22/60/00/136226000.db2.gz ZQGJCZPIVAPIIW-UHFFFAOYSA-N 1 2 247.342 1.593 20 0 BDADLO Cc1cc([C@@H]2C[N@H+](CCO)CCO2)ccc1F ZINC000128920098 178243066 /nfs/dbraw/zinc/24/30/66/178243066.db2.gz BEHABBTVVORLBT-ZDUSSCGKSA-N 1 2 239.290 1.500 20 0 BDADLO Cc1cc([C@@H]2C[N@@H+](CCO)CCO2)ccc1F ZINC000128920098 178243069 /nfs/dbraw/zinc/24/30/69/178243069.db2.gz BEHABBTVVORLBT-ZDUSSCGKSA-N 1 2 239.290 1.500 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)CC(=O)OC)OC ZINC000602441419 349527228 /nfs/dbraw/zinc/52/72/28/349527228.db2.gz FYPDVFMFYVRZMZ-NXEZZACHSA-N 1 2 217.309 1.152 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)CC(=O)OC)OC ZINC000602441419 349527232 /nfs/dbraw/zinc/52/72/32/349527232.db2.gz FYPDVFMFYVRZMZ-NXEZZACHSA-N 1 2 217.309 1.152 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CC(=O)NCC(F)F)no1 ZINC000282428562 178245601 /nfs/dbraw/zinc/24/56/01/178245601.db2.gz CZUKBUBFNQRSQJ-ZETCQYMHSA-N 1 2 247.245 1.015 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CC2(C)OCCCO2)no1 ZINC000284960163 178247516 /nfs/dbraw/zinc/24/75/16/178247516.db2.gz FJWUSYQLRJWJIP-JTQLQIEISA-N 1 2 240.303 1.787 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)no1 ZINC000336710543 178255324 /nfs/dbraw/zinc/25/53/24/178255324.db2.gz RUDCFXWCMGIYHG-DTWKUNHWSA-N 1 2 225.292 1.110 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)no1 ZINC000285462748 178255715 /nfs/dbraw/zinc/25/57/15/178255715.db2.gz ZZAFUGYDLORLPX-DTWKUNHWSA-N 1 2 243.282 1.108 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc(CC(C)C)no1 ZINC000076495841 398241997 /nfs/dbraw/zinc/24/19/97/398241997.db2.gz SVMGZPHQLYQLCK-UHFFFAOYSA-N 1 2 241.335 1.783 20 0 BDADLO Cc1cc2[nH+]cn(C[C@@H]3CNC(=O)O3)c2cc1C ZINC000130778167 178304842 /nfs/dbraw/zinc/30/48/42/178304842.db2.gz RPFZXEYITZQWAG-JTQLQIEISA-N 1 2 245.282 1.762 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC=C(F)C1 ZINC000576529536 365621039 /nfs/dbraw/zinc/62/10/39/365621039.db2.gz PEVHUYPAIIFKEP-UHFFFAOYSA-N 1 2 224.239 1.131 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC=C(F)C1 ZINC000576529536 365621044 /nfs/dbraw/zinc/62/10/44/365621044.db2.gz PEVHUYPAIIFKEP-UHFFFAOYSA-N 1 2 224.239 1.131 20 0 BDADLO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000649446667 398251062 /nfs/dbraw/zinc/25/10/62/398251062.db2.gz YHNKPEPKPBFOIY-SMDDNHRTSA-N 1 2 245.326 1.664 20 0 BDADLO C[C@H](CC(=O)NCCc1ccc[nH]1)n1cc[nH+]c1 ZINC000576641995 365647666 /nfs/dbraw/zinc/64/76/66/365647666.db2.gz ZYQAHNYBRSEQKG-LLVKDONJSA-N 1 2 246.314 1.521 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH+]1CCS(=O)CC1)OC ZINC000602465901 349538955 /nfs/dbraw/zinc/53/89/55/349538955.db2.gz RXYDLOSBZLYFNI-GHMZBOCLSA-N 1 2 233.377 1.112 20 0 BDADLO Cc1ncc2c(n1)CC[N@@H+](CCOCC(C)C)C2 ZINC000576685326 365656388 /nfs/dbraw/zinc/65/63/88/365656388.db2.gz MFJAKPJJZSLKAW-UHFFFAOYSA-N 1 2 249.358 1.816 20 0 BDADLO Cc1ncc2c(n1)CC[N@H+](CCOCC(C)C)C2 ZINC000576685326 365656390 /nfs/dbraw/zinc/65/63/90/365656390.db2.gz MFJAKPJJZSLKAW-UHFFFAOYSA-N 1 2 249.358 1.816 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCC1(C)C)c1c[nH]c[nH+]1 ZINC000561753433 323006315 /nfs/dbraw/zinc/00/63/15/323006315.db2.gz KLQIYVRMLMOQJS-SECBINFHSA-N 1 2 235.331 1.992 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nnc(C2CC2)s1 ZINC000428133892 398258391 /nfs/dbraw/zinc/25/83/91/398258391.db2.gz ZMQJUTPUBVGXQO-UHFFFAOYSA-N 1 2 235.316 1.775 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1CCCCC1 ZINC000290738763 538946669 /nfs/dbraw/zinc/94/66/69/538946669.db2.gz WWRSBIUMLAQMGT-UHFFFAOYSA-N 1 2 236.319 1.552 20 0 BDADLO Cc1nccnc1NCc1c[nH+]cn1C ZINC000291167145 538947730 /nfs/dbraw/zinc/94/77/30/538947730.db2.gz QPUXPWQNMKJMNB-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1cccc(NC(=O)NCc2c[nH+]cn2C)n1 ZINC000290469887 538946940 /nfs/dbraw/zinc/94/69/40/538946940.db2.gz TWXWUIAZDKGAAP-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cc1c(C[N@@H+](C)[C@@H](C)c2cnccn2)cnn1C ZINC000576741103 365674148 /nfs/dbraw/zinc/67/41/48/365674148.db2.gz RRZHQKPHQGDILS-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1c(C[N@H+](C)[C@@H](C)c2cnccn2)cnn1C ZINC000576741103 365674157 /nfs/dbraw/zinc/67/41/57/365674157.db2.gz RRZHQKPHQGDILS-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1cccs1 ZINC000291402109 538947236 /nfs/dbraw/zinc/94/72/36/538947236.db2.gz ISFVQRVOBNSCTN-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO Cc1ccnc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000334538659 136230976 /nfs/dbraw/zinc/23/09/76/136230976.db2.gz IXVSZAMIHFGVEX-UHFFFAOYSA-N 1 2 231.259 1.435 20 0 BDADLO CCOc1cc(NCCc2cn(C)c[nH+]2)ncn1 ZINC000313465752 398255596 /nfs/dbraw/zinc/25/55/96/398255596.db2.gz YQZSRBLPHRAWPD-UHFFFAOYSA-N 1 2 247.302 1.263 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccoc1C1CC1 ZINC000291491614 538948162 /nfs/dbraw/zinc/94/81/62/538948162.db2.gz REGWIUYQIJXPQP-UHFFFAOYSA-N 1 2 245.282 1.821 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CCSCC1 ZINC000291491710 538948173 /nfs/dbraw/zinc/94/81/73/538948173.db2.gz RFLYYIJJLCRAME-UHFFFAOYSA-N 1 2 239.344 1.180 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CC=CC1 ZINC000291470761 538948282 /nfs/dbraw/zinc/94/82/82/538948282.db2.gz PBIIAQKIIIIUGR-UHFFFAOYSA-N 1 2 205.261 1.003 20 0 BDADLO CC1(O)CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000232846458 398263793 /nfs/dbraw/zinc/26/37/93/398263793.db2.gz VHTHQFMGRSVTCQ-UHFFFAOYSA-N 1 2 242.710 1.063 20 0 BDADLO CC1(O)CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000232846458 398263795 /nfs/dbraw/zinc/26/37/95/398263795.db2.gz VHTHQFMGRSVTCQ-UHFFFAOYSA-N 1 2 242.710 1.063 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cccc(C)n1 ZINC000381593989 398265380 /nfs/dbraw/zinc/26/53/80/398265380.db2.gz DYKXLWZEQFPLFM-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335065021 136232582 /nfs/dbraw/zinc/23/25/82/136232582.db2.gz HAYFGKMLAJSNAB-JTQLQIEISA-N 1 2 233.670 1.839 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335065021 136232583 /nfs/dbraw/zinc/23/25/83/136232583.db2.gz HAYFGKMLAJSNAB-JTQLQIEISA-N 1 2 233.670 1.839 20 0 BDADLO c1c[nH+]c(CNc2cnn(CC3CC3)c2)[nH]1 ZINC000179078358 538954505 /nfs/dbraw/zinc/95/45/05/538954505.db2.gz XAEITBNULJARFB-UHFFFAOYSA-N 1 2 217.276 1.628 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCOC)[C@@H](C)CC ZINC000053257498 346845464 /nfs/dbraw/zinc/84/54/64/346845464.db2.gz XXTKDIGFLOXATQ-VHSXEESVSA-N 1 2 217.309 1.200 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@]1(C)CCCO1 ZINC000378864755 346848789 /nfs/dbraw/zinc/84/87/89/346848789.db2.gz YATYNLLDROVCOL-KOLCDFICSA-N 1 2 209.293 1.457 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@]1(C)CCCO1 ZINC000378864757 346848821 /nfs/dbraw/zinc/84/88/21/346848821.db2.gz YATYNLLDROVCOL-ONGXEEELSA-N 1 2 209.293 1.457 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCCCO1 ZINC000334666470 398272674 /nfs/dbraw/zinc/27/26/74/398272674.db2.gz REPJFDPSAGTJOK-SNVBAGLBSA-N 1 2 249.314 1.727 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000179733116 538955957 /nfs/dbraw/zinc/95/59/57/538955957.db2.gz AVBIQGQHTAGTJX-QWRGUYRKSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000179733116 538955958 /nfs/dbraw/zinc/95/59/58/538955958.db2.gz AVBIQGQHTAGTJX-QWRGUYRKSA-N 1 2 237.347 1.592 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421414108 192342281 /nfs/dbraw/zinc/34/22/81/192342281.db2.gz AAFUZWPTSJUIGG-IJLUTSLNSA-N 1 2 233.315 1.436 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000602585094 349611830 /nfs/dbraw/zinc/61/18/30/349611830.db2.gz MEWUEUNOSMCRBH-NXEZZACHSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636738525 349610948 /nfs/dbraw/zinc/61/09/48/349610948.db2.gz VATZDUYWUUFKCP-JFGNBEQYSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000180927715 538958881 /nfs/dbraw/zinc/95/88/81/538958881.db2.gz YGQUTFWOKMOWIS-SCZZXKLOSA-N 1 2 248.330 1.132 20 0 BDADLO COC(=O)[C@H](NCc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000600157375 342692622 /nfs/dbraw/zinc/69/26/22/342692622.db2.gz VWMPYMPCOFWHGZ-LLVKDONJSA-N 1 2 237.303 1.068 20 0 BDADLO COc1ccc([C@H](CCO)[NH2+]CC(F)F)cc1 ZINC000182403319 538963230 /nfs/dbraw/zinc/96/32/30/538963230.db2.gz DUHSUBIFTPFCOP-NSHDSACASA-N 1 2 245.269 1.973 20 0 BDADLO CC(C)c1nc(CN2CCn3cc[nH+]c3C2)no1 ZINC000097201313 398278403 /nfs/dbraw/zinc/27/84/03/398278403.db2.gz KMGHISOJNBOPBV-UHFFFAOYSA-N 1 2 247.302 1.405 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC000165472199 361839953 /nfs/dbraw/zinc/83/99/53/361839953.db2.gz QAHCRAKPGWMLKK-SSDOTTSWSA-N 1 2 239.344 1.245 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2CC=CCC2)on1 ZINC000602589260 349613625 /nfs/dbraw/zinc/61/36/25/349613625.db2.gz RWDDFJTZWINGOO-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2CC=CCC2)on1 ZINC000602589260 349613627 /nfs/dbraw/zinc/61/36/27/349613627.db2.gz RWDDFJTZWINGOO-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO CCC[C@H](C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000602588844 349613645 /nfs/dbraw/zinc/61/36/45/349613645.db2.gz ABXPLPBOZZCHQH-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO COc1ccc(OC)c(C[NH2+]Cc2ccno2)c1 ZINC000231884838 342741519 /nfs/dbraw/zinc/74/15/19/342741519.db2.gz CBXVSDTURMKTTN-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCCCC1 ZINC000335124853 398280058 /nfs/dbraw/zinc/28/00/58/398280058.db2.gz WKJGYXPSXNPNLF-LBPRGKRZSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1nnc(NCCc2ccc(C)[nH+]c2)o1 ZINC000309622942 342759713 /nfs/dbraw/zinc/75/97/13/342759713.db2.gz DXVVAAQTAMQFDZ-UHFFFAOYSA-N 1 2 218.260 1.736 20 0 BDADLO CC[C@@H](C[C@@H](C)CO)Nc1cc[nH+]c(C)n1 ZINC000309629161 342760230 /nfs/dbraw/zinc/76/02/30/342760230.db2.gz GONDUIZTIAWZAN-KOLCDFICSA-N 1 2 223.320 1.994 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CCCO1 ZINC000649489801 398286779 /nfs/dbraw/zinc/28/67/79/398286779.db2.gz HQHMXVONFWFNHV-ZDUSSCGKSA-N 1 2 235.331 1.440 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CCCO1 ZINC000649489801 398286781 /nfs/dbraw/zinc/28/67/81/398286781.db2.gz HQHMXVONFWFNHV-ZDUSSCGKSA-N 1 2 235.331 1.440 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000348783076 136238551 /nfs/dbraw/zinc/23/85/51/136238551.db2.gz HJOVCPSITKNQHK-LLVKDONJSA-N 1 2 244.285 1.881 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000348783076 136238552 /nfs/dbraw/zinc/23/85/52/136238552.db2.gz HJOVCPSITKNQHK-LLVKDONJSA-N 1 2 244.285 1.881 20 0 BDADLO Cn1ncc(Cl)c1C[NH2+]Cc1cc[nH]n1 ZINC000189172700 346862140 /nfs/dbraw/zinc/86/21/40/346862140.db2.gz LNFVTXNRFOLGDN-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO COCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000066378287 342788831 /nfs/dbraw/zinc/78/88/31/342788831.db2.gz PFYJBYRALKYPLE-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO COCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000066378287 342788832 /nfs/dbraw/zinc/78/88/32/342788832.db2.gz PFYJBYRALKYPLE-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CC1(F)F ZINC000618595061 342795802 /nfs/dbraw/zinc/79/58/02/342795802.db2.gz MHSMKIUVADXVOL-SNVBAGLBSA-N 1 2 243.257 1.422 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@]1(C)CC1(F)F ZINC000618595061 342795803 /nfs/dbraw/zinc/79/58/03/342795803.db2.gz MHSMKIUVADXVOL-SNVBAGLBSA-N 1 2 243.257 1.422 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624653842 342810637 /nfs/dbraw/zinc/81/06/37/342810637.db2.gz DJACIBZPFQCUNF-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624653842 342810638 /nfs/dbraw/zinc/81/06/38/342810638.db2.gz DJACIBZPFQCUNF-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(NC[C@H]2C[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000624666917 342813832 /nfs/dbraw/zinc/81/38/32/342813832.db2.gz WDSSOKWEHLAXIV-JGZJWPJOSA-N 1 2 233.315 1.267 20 0 BDADLO Cc1cc(C)cc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634583754 342815319 /nfs/dbraw/zinc/81/53/19/342815319.db2.gz HCFMALDMDKRVIY-LBPRGKRZSA-N 1 2 243.310 1.616 20 0 BDADLO Cc1cc(N[C@H]2CO[C@H](C3CC3)C2)nc[nH+]1 ZINC000624674350 342817517 /nfs/dbraw/zinc/81/75/17/342817517.db2.gz YSKIVVQSRJOGPP-MNOVXSKESA-N 1 2 219.288 1.764 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ncc(C)cc1C ZINC000401109138 398289111 /nfs/dbraw/zinc/28/91/11/398289111.db2.gz NIPXUDVGQGVHDY-UHFFFAOYSA-N 1 2 236.315 1.346 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ncc(C)cc1C ZINC000401109138 398289113 /nfs/dbraw/zinc/28/91/13/398289113.db2.gz NIPXUDVGQGVHDY-UHFFFAOYSA-N 1 2 236.315 1.346 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1ccon1 ZINC000187049578 538975399 /nfs/dbraw/zinc/97/53/99/538975399.db2.gz SOPNYXHVKYUWTB-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO CC[N@@H+]1CC(=O)NC12C[C@H](C)C[C@@H](C)C2 ZINC000336461748 342807039 /nfs/dbraw/zinc/80/70/39/342807039.db2.gz IWEKKOYOIJCILY-NXEZZACHSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+]1CC(=O)NC12C[C@H](C)C[C@@H](C)C2 ZINC000336461748 342807040 /nfs/dbraw/zinc/80/70/40/342807040.db2.gz IWEKKOYOIJCILY-NXEZZACHSA-N 1 2 210.321 1.591 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000059639072 342834839 /nfs/dbraw/zinc/83/48/39/342834839.db2.gz ZGSIQFVESBMGRS-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000059639072 342834840 /nfs/dbraw/zinc/83/48/40/342834840.db2.gz ZGSIQFVESBMGRS-NSHDSACASA-N 1 2 249.310 1.833 20 0 BDADLO COC[C@]1(C)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000624773674 342827355 /nfs/dbraw/zinc/82/73/55/342827355.db2.gz PSSGNYLZBMZWBU-LBPRGKRZSA-N 1 2 237.303 1.027 20 0 BDADLO CN(CC(C)(C)O)c1[nH]c2ccccc2[nH+]1 ZINC000086274201 398291442 /nfs/dbraw/zinc/29/14/42/398291442.db2.gz SDLKKYOAHUAPBL-UHFFFAOYSA-N 1 2 219.288 1.770 20 0 BDADLO Nc1[nH+]cnc(N2CCC[C@H]3C[C@H]32)c1Cl ZINC000379875636 538981058 /nfs/dbraw/zinc/98/10/58/538981058.db2.gz ACJVYIJLAKLAEV-NKWVEPMBSA-N 1 2 224.695 1.701 20 0 BDADLO Nc1nc[nH+]c(N2CCC[C@H]3C[C@H]32)c1Cl ZINC000379875636 538981060 /nfs/dbraw/zinc/98/10/60/538981060.db2.gz ACJVYIJLAKLAEV-NKWVEPMBSA-N 1 2 224.695 1.701 20 0 BDADLO Nc1[nH+]cnc(N2CCC3(CC3)C2)c1Cl ZINC000380094213 538985036 /nfs/dbraw/zinc/98/50/36/538985036.db2.gz JUQOFSWZITVCSR-UHFFFAOYSA-N 1 2 224.695 1.703 20 0 BDADLO Nc1nc[nH+]c(N2CCC3(CC3)C2)c1Cl ZINC000380094213 538985037 /nfs/dbraw/zinc/98/50/37/538985037.db2.gz JUQOFSWZITVCSR-UHFFFAOYSA-N 1 2 224.695 1.703 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1Cc2cccc(F)c2C1 ZINC000622693905 342837834 /nfs/dbraw/zinc/83/78/34/342837834.db2.gz ZYPPHYSHQVKAAJ-UHFFFAOYSA-N 1 2 245.257 1.565 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCSC[C@H]1C ZINC000193354752 539005078 /nfs/dbraw/zinc/00/50/78/539005078.db2.gz NBJDZYYQJXRSNY-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncnc1C[N@H+]1CCSC[C@H]1C ZINC000193354752 539005080 /nfs/dbraw/zinc/00/50/80/539005080.db2.gz NBJDZYYQJXRSNY-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCc1cc(N(C)CCCCO)nc[nH+]1 ZINC000384969552 539012895 /nfs/dbraw/zinc/01/28/95/539012895.db2.gz RQJOHCKBGBMVTM-UHFFFAOYSA-N 1 2 209.293 1.248 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccsc1 ZINC000192628745 538996619 /nfs/dbraw/zinc/99/66/19/538996619.db2.gz APCLOBOPYCWOFQ-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccsc1 ZINC000192628745 538996621 /nfs/dbraw/zinc/99/66/21/538996621.db2.gz APCLOBOPYCWOFQ-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1CC2(CCC2)C1 ZINC000649499717 398295856 /nfs/dbraw/zinc/29/58/56/398295856.db2.gz HILNNWZVJHLHKL-UHFFFAOYSA-N 1 2 248.330 1.515 20 0 BDADLO Cc1nc(N[C@@H](C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000390181801 539020197 /nfs/dbraw/zinc/02/01/97/539020197.db2.gz JZBNPSMEWCLSKJ-ONGXEEELSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cnoc1)CC2 ZINC000625000430 342841975 /nfs/dbraw/zinc/84/19/75/342841975.db2.gz QJDFLGFPXXDDGK-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO CC(C)c1nc(N[C@H](CO)C(C)C)cc[nH+]1 ZINC000390489690 539022712 /nfs/dbraw/zinc/02/27/12/539022712.db2.gz PWDXJQMLGUHTIB-SNVBAGLBSA-N 1 2 223.320 1.451 20 0 BDADLO C[NH+](C)CCCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000036896403 398296797 /nfs/dbraw/zinc/29/67/97/398296797.db2.gz BCBJLQJWCJWWOU-UHFFFAOYSA-N 1 2 223.276 1.143 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(O)cc1)c1ncn(C)n1 ZINC000391830689 539027820 /nfs/dbraw/zinc/02/78/20/539027820.db2.gz GVABRBCISDTTLH-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(F)cn1 ZINC000389820117 539017386 /nfs/dbraw/zinc/01/73/86/539017386.db2.gz CCVUPYBAYSZYCE-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO Oc1cccc2c1C[C@@H]([NH2+]CC(F)F)C2 ZINC000389851470 539017768 /nfs/dbraw/zinc/01/77/68/539017768.db2.gz VOXINQGNZZLGSI-QMMMGPOBSA-N 1 2 213.227 1.714 20 0 BDADLO CC(C)n1cc(NCc2c[nH+]cn2C)cn1 ZINC000082393489 361997259 /nfs/dbraw/zinc/99/72/59/361997259.db2.gz LLCGCJNSVZDFLT-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC(C)(C)C2)n1 ZINC000625046597 342845868 /nfs/dbraw/zinc/84/58/68/342845868.db2.gz MWNFSYLEQISYCY-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1cncc(C[N@H+]2CCOC(C)(C)C2)n1 ZINC000625046597 342845869 /nfs/dbraw/zinc/84/58/69/342845869.db2.gz MWNFSYLEQISYCY-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000348877935 136242693 /nfs/dbraw/zinc/24/26/93/136242693.db2.gz POUMVCKBAFMKSS-SECBINFHSA-N 1 2 245.273 1.779 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000348877935 136242694 /nfs/dbraw/zinc/24/26/94/136242694.db2.gz POUMVCKBAFMKSS-SECBINFHSA-N 1 2 245.273 1.779 20 0 BDADLO CC(C)Cn1nccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000648009011 398299795 /nfs/dbraw/zinc/29/97/95/398299795.db2.gz JTYXCSFEBPDNET-UHFFFAOYSA-N 1 2 247.346 1.894 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000648009011 398299797 /nfs/dbraw/zinc/29/97/97/398299797.db2.gz JTYXCSFEBPDNET-UHFFFAOYSA-N 1 2 247.346 1.894 20 0 BDADLO CC[C@]1(C)COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493501111 529407667 /nfs/dbraw/zinc/40/76/67/529407667.db2.gz UFJQBWKDDYPHLQ-MUBLQREKSA-N 1 2 249.314 1.450 20 0 BDADLO COC1CC(c2nc(Cc3c[nH+]cn3C)no2)C1 ZINC000624553630 344007656 /nfs/dbraw/zinc/00/76/56/344007656.db2.gz SEFFECWXEUGFRG-UHFFFAOYSA-N 1 2 248.286 1.286 20 0 BDADLO CCCC[N@H+](C)Cc1noc(CCOC)n1 ZINC000351338547 136244618 /nfs/dbraw/zinc/24/46/18/136244618.db2.gz LGMRJYOASXIDSS-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCCC[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351338547 136244619 /nfs/dbraw/zinc/24/46/19/136244619.db2.gz LGMRJYOASXIDSS-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO C[C@@H]([NH2+]Cc1cnns1)c1ccccn1 ZINC000308928076 342877224 /nfs/dbraw/zinc/87/72/24/342877224.db2.gz QNSYRNRKKIKJTC-MRVPVSSYSA-N 1 2 220.301 1.784 20 0 BDADLO CCc1cc(NC(=O)CCn2cc[nH+]c2)n[nH]1 ZINC000134496596 342860081 /nfs/dbraw/zinc/86/00/81/342860081.db2.gz UMDCFXMBDGNUGH-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000045753453 342916859 /nfs/dbraw/zinc/91/68/59/342916859.db2.gz LNOVCRXDAOPJIN-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000045753453 342916861 /nfs/dbraw/zinc/91/68/61/342916861.db2.gz LNOVCRXDAOPJIN-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCn1nccc1CC[NH+]1CCN(CC)CC1 ZINC000351621594 136248359 /nfs/dbraw/zinc/24/83/59/136248359.db2.gz TYYICCQQIRUCNV-UHFFFAOYSA-N 1 2 236.363 1.083 20 0 BDADLO Cc1cc(N[C@H]2COCC2(C)C)nc[nH+]1 ZINC000313055949 259330094 /nfs/dbraw/zinc/33/00/94/259330094.db2.gz JELCBYJOMHFZGB-VIFPVBQESA-N 1 2 207.277 1.622 20 0 BDADLO O=c1c2c([nH]n1-c1ccccc1F)CC[NH2+]C2 ZINC000634587202 342931154 /nfs/dbraw/zinc/93/11/54/342931154.db2.gz HNCAXXLXBPWDNE-MRVPVSSYSA-N 1 2 233.246 1.138 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)no1 ZINC000351627727 136248739 /nfs/dbraw/zinc/24/87/39/136248739.db2.gz KEAMLYLKYYLGJZ-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)no1 ZINC000351627727 136248740 /nfs/dbraw/zinc/24/87/40/136248740.db2.gz KEAMLYLKYYLGJZ-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO COc1cccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634585683 342928614 /nfs/dbraw/zinc/92/86/14/342928614.db2.gz OHBNZAQOKKJTIN-LLVKDONJSA-N 1 2 245.282 1.007 20 0 BDADLO COC(=O)[C@@H](C)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602644776 349656768 /nfs/dbraw/zinc/65/67/68/349656768.db2.gz NLRZVBIPXSZQGB-SCZZXKLOSA-N 1 2 237.303 1.022 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH2+][C@H](C)C(=O)OC)OC ZINC000602644827 349656879 /nfs/dbraw/zinc/65/68/79/349656879.db2.gz OLORGBGFKXLMAO-OPRDCNLKSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@@H](C)C2)nc(N)[nH+]1 ZINC000304458020 398336488 /nfs/dbraw/zinc/33/64/88/398336488.db2.gz LQOHPRHZBMBANA-APPZFPTMSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000304458020 398336489 /nfs/dbraw/zinc/33/64/89/398336489.db2.gz LQOHPRHZBMBANA-APPZFPTMSA-N 1 2 221.308 1.610 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H]2CCSC2)no1 ZINC000119960331 398336573 /nfs/dbraw/zinc/33/65/73/398336573.db2.gz MVDMHMGVKHIGRP-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H]2CCSC2)no1 ZINC000119960331 398336574 /nfs/dbraw/zinc/33/65/74/398336574.db2.gz MVDMHMGVKHIGRP-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO Cc1cnc(C[N@@H+](C)C2(C(N)=O)CCCC2)o1 ZINC000120151829 398337012 /nfs/dbraw/zinc/33/70/12/398337012.db2.gz ODKWBQRGPVGKGN-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cnc(C[N@H+](C)C2(C(N)=O)CCCC2)o1 ZINC000120151829 398337013 /nfs/dbraw/zinc/33/70/13/398337013.db2.gz ODKWBQRGPVGKGN-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO CO[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120161984 398337086 /nfs/dbraw/zinc/33/70/86/398337086.db2.gz RPMKSVPYBQLJQL-NXEZZACHSA-N 1 2 237.303 1.498 20 0 BDADLO C[C@H]1C[NH+](Cc2cnc3ccccn23)C[C@H](C)O1 ZINC000157310494 344013106 /nfs/dbraw/zinc/01/31/06/344013106.db2.gz NRQVPUKNJFTFGC-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000354851735 398330755 /nfs/dbraw/zinc/33/07/55/398330755.db2.gz VJTDABAUYJTFDQ-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000602683355 349675405 /nfs/dbraw/zinc/67/54/05/349675405.db2.gz VHDPQGOLBQLVGK-LPEHRKFASA-N 1 2 217.309 1.340 20 0 BDADLO Cc1cc(C(=O)NCCCF)c2[nH+]ccn2c1 ZINC000626181957 346900186 /nfs/dbraw/zinc/90/01/86/346900186.db2.gz HDZQANUBAZTWGA-UHFFFAOYSA-N 1 2 235.262 1.732 20 0 BDADLO COC1CC([N@H+](C)Cc2ncnn2C(C)C)C1 ZINC000352204913 536719980 /nfs/dbraw/zinc/71/99/80/536719980.db2.gz ZEQQTFISRFKLFP-UHFFFAOYSA-N 1 2 238.335 1.468 20 0 BDADLO COC1CC([N@@H+](C)Cc2ncnn2C(C)C)C1 ZINC000352204913 536719986 /nfs/dbraw/zinc/71/99/86/536719986.db2.gz ZEQQTFISRFKLFP-UHFFFAOYSA-N 1 2 238.335 1.468 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)sn1 ZINC000602712886 349704745 /nfs/dbraw/zinc/70/47/45/349704745.db2.gz PRKQBQHRSPDTLY-KPCOEVGBSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)sn1 ZINC000602712886 349704749 /nfs/dbraw/zinc/70/47/49/349704749.db2.gz PRKQBQHRSPDTLY-KPCOEVGBSA-N 1 2 242.369 1.157 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cs1 ZINC000351825705 136255876 /nfs/dbraw/zinc/25/58/76/136255876.db2.gz JHIJTIUBEFRJLP-WPRPVWTQSA-N 1 2 242.344 1.102 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cs1 ZINC000351825705 136255877 /nfs/dbraw/zinc/25/58/77/136255877.db2.gz JHIJTIUBEFRJLP-WPRPVWTQSA-N 1 2 242.344 1.102 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cnns1 ZINC000493212825 529556154 /nfs/dbraw/zinc/55/61/54/529556154.db2.gz BZOLWELKOHHAOB-ONEGZZNKSA-N 1 2 249.299 1.406 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC1CCC1 ZINC000492493397 529558645 /nfs/dbraw/zinc/55/86/45/529558645.db2.gz OHCGYZVKQPKTBH-SREVYHEPSA-N 1 2 233.315 1.833 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC=C(C)C ZINC000493856266 529558731 /nfs/dbraw/zinc/55/87/31/529558731.db2.gz OLXFYNJQLDIGSG-WAYWQWQTSA-N 1 2 233.315 1.999 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H](C)OC ZINC000492005949 529559500 /nfs/dbraw/zinc/55/95/00/529559500.db2.gz UWXQPNDUNVDGSE-WWQCOOJYSA-N 1 2 237.303 1.067 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NOC(C)C ZINC000493014953 529560000 /nfs/dbraw/zinc/56/00/00/529560000.db2.gz FIFPLYWVUVBEOA-WAYWQWQTSA-N 1 2 223.276 1.372 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOc2ccccc2C1 ZINC000602766165 349721691 /nfs/dbraw/zinc/72/16/91/349721691.db2.gz CRRYUSVQMBYYGM-UHFFFAOYSA-N 1 2 245.326 1.684 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOc2ccccc2C1 ZINC000602766165 349721693 /nfs/dbraw/zinc/72/16/93/349721693.db2.gz CRRYUSVQMBYYGM-UHFFFAOYSA-N 1 2 245.326 1.684 20 0 BDADLO CC(C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076048872 344021235 /nfs/dbraw/zinc/02/12/35/344021235.db2.gz YVHKCYRJLCGHFS-JTQLQIEISA-N 1 2 236.319 1.707 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cn1 ZINC000351858715 136258848 /nfs/dbraw/zinc/25/88/48/136258848.db2.gz VUYWSBLKJSGULJ-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cn1 ZINC000351858715 136258849 /nfs/dbraw/zinc/25/88/49/136258849.db2.gz VUYWSBLKJSGULJ-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000602768899 349723511 /nfs/dbraw/zinc/72/35/11/349723511.db2.gz WUQYBSHDZVCMTO-GFCCVEGCSA-N 1 2 232.331 1.668 20 0 BDADLO CCN(C#N)CC[N@H+]1CCn2cccc2[C@H]1C ZINC000602768899 349723512 /nfs/dbraw/zinc/72/35/12/349723512.db2.gz WUQYBSHDZVCMTO-GFCCVEGCSA-N 1 2 232.331 1.668 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cc[nH]c(=O)c1 ZINC000602769122 349723531 /nfs/dbraw/zinc/72/35/31/349723531.db2.gz MUTYTSYTGPXGSP-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cc[nH]c(=O)c1 ZINC000602769122 349723533 /nfs/dbraw/zinc/72/35/33/349723533.db2.gz MUTYTSYTGPXGSP-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NCC1CCC1 ZINC000047597693 342986256 /nfs/dbraw/zinc/98/62/56/342986256.db2.gz BGNUBVPMLIAVRU-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO Cc1ccc(F)c(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000020471961 342986283 /nfs/dbraw/zinc/98/62/83/342986283.db2.gz VZJYTDVWAXYAST-SNVBAGLBSA-N 1 2 240.303 1.735 20 0 BDADLO C[C@@H](c1ccccc1)n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634599446 342988508 /nfs/dbraw/zinc/98/85/08/342988508.db2.gz IRYHRPAYHOOJLT-JQWIXIFHSA-N 1 2 243.310 1.555 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000602795590 349736651 /nfs/dbraw/zinc/73/66/51/349736651.db2.gz BKBLMGMXMGUMSX-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000602795590 349736655 /nfs/dbraw/zinc/73/66/55/349736655.db2.gz BKBLMGMXMGUMSX-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(C)=O)CC2 ZINC000602799028 349739568 /nfs/dbraw/zinc/73/95/68/349739568.db2.gz QCDFWWSSTIFNPF-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO COC(=O)c1ccc2c(c1)C[N@H+](CC(C)=O)CC2 ZINC000602799028 349739573 /nfs/dbraw/zinc/73/95/73/349739573.db2.gz QCDFWWSSTIFNPF-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO Cc1cccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634604366 342998770 /nfs/dbraw/zinc/99/87/70/342998770.db2.gz DBVVFZIGZLUUPM-LBPRGKRZSA-N 1 2 243.310 1.303 20 0 BDADLO COC(=O)C[N@H+](C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000602780417 349746289 /nfs/dbraw/zinc/74/62/89/349746289.db2.gz PNBMDPRVQZUCRY-NSHDSACASA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000602780417 349746291 /nfs/dbraw/zinc/74/62/91/349746291.db2.gz PNBMDPRVQZUCRY-NSHDSACASA-N 1 2 241.331 1.439 20 0 BDADLO CCN(C#N)CC[N@H+](CC)Cc1cnn(C)c1 ZINC000602772104 349726107 /nfs/dbraw/zinc/72/61/07/349726107.db2.gz PCFCOYLBDPFNCR-UHFFFAOYSA-N 1 2 235.335 1.045 20 0 BDADLO CCN(C#N)CC[N@@H+](CC)Cc1cnn(C)c1 ZINC000602772104 349726109 /nfs/dbraw/zinc/72/61/09/349726109.db2.gz PCFCOYLBDPFNCR-UHFFFAOYSA-N 1 2 235.335 1.045 20 0 BDADLO CCN(C#N)CC[NH2+]C(CC)(CC)C(=O)OC ZINC000602809872 349754508 /nfs/dbraw/zinc/75/45/08/349754508.db2.gz RORQSXWBPLMOAA-UHFFFAOYSA-N 1 2 241.335 1.111 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccc(Cl)s1 ZINC000037988942 343040118 /nfs/dbraw/zinc/04/01/18/343040118.db2.gz DMBIMURVFCHJLZ-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CCN1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000176978075 346920010 /nfs/dbraw/zinc/92/00/10/346920010.db2.gz CKCDIMFLCKMCEI-GFCCVEGCSA-N 1 2 219.332 1.780 20 0 BDADLO Cc1[nH]nc2ncc(C[N@H+]3CCOC[C@@H]3C)cc12 ZINC000351879171 136262257 /nfs/dbraw/zinc/26/22/57/136262257.db2.gz HDWWWDXEALRYRL-VIFPVBQESA-N 1 2 246.314 1.487 20 0 BDADLO Cc1[nH]nc2ncc(C[N@@H+]3CCOC[C@@H]3C)cc12 ZINC000351879171 136262258 /nfs/dbraw/zinc/26/22/58/136262258.db2.gz HDWWWDXEALRYRL-VIFPVBQESA-N 1 2 246.314 1.487 20 0 BDADLO C[C@@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(C)(C)C ZINC000634629899 343038349 /nfs/dbraw/zinc/03/83/49/343038349.db2.gz GWQRFPGUHKSYAR-RKDXNWHRSA-N 1 2 223.320 1.229 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880005 349790874 /nfs/dbraw/zinc/79/08/74/349790874.db2.gz IZEHGWWLNNBHQO-SNVBAGLBSA-N 1 2 223.276 1.110 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880005 349790876 /nfs/dbraw/zinc/79/08/76/349790876.db2.gz IZEHGWWLNNBHQO-SNVBAGLBSA-N 1 2 223.276 1.110 20 0 BDADLO CCN(C#N)CC[NH2+][C@H](C)c1cscn1 ZINC000602881083 349790907 /nfs/dbraw/zinc/79/09/07/349790907.db2.gz CJVWMLJWIFHORA-SECBINFHSA-N 1 2 224.333 1.597 20 0 BDADLO COc1cccnc1CNc1nc(C)[nH+]cc1C ZINC000576837329 365700329 /nfs/dbraw/zinc/70/03/29/365700329.db2.gz IRNRERBTDPIRBE-UHFFFAOYSA-N 1 2 244.298 1.531 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccns1 ZINC000602885431 349793344 /nfs/dbraw/zinc/79/33/44/349793344.db2.gz WTIOZKAYWOWSDC-UHFFFAOYSA-N 1 2 224.333 1.378 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccns1 ZINC000602885431 349793348 /nfs/dbraw/zinc/79/33/48/349793348.db2.gz WTIOZKAYWOWSDC-UHFFFAOYSA-N 1 2 224.333 1.378 20 0 BDADLO CC[C@H](C)[N@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000049328825 343103557 /nfs/dbraw/zinc/10/35/57/343103557.db2.gz RVQOJLNFHPDOJR-NSHDSACASA-N 1 2 239.319 1.458 20 0 BDADLO CC[C@H](C)[N@@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000049328825 343103559 /nfs/dbraw/zinc/10/35/59/343103559.db2.gz RVQOJLNFHPDOJR-NSHDSACASA-N 1 2 239.319 1.458 20 0 BDADLO CC(C)CCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640939562 362079041 /nfs/dbraw/zinc/07/90/41/362079041.db2.gz CKHDSLDNUGAMMW-GFCCVEGCSA-N 1 2 238.335 1.375 20 0 BDADLO CC[C@H]1C[N@H+](CCN(C#N)CC)[C@@H](C)CO1 ZINC000602866030 349797831 /nfs/dbraw/zinc/79/78/31/349797831.db2.gz MONTYESDHBOPAY-RYUDHWBXSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@H]1C[N@@H+](CCN(C#N)CC)[C@@H](C)CO1 ZINC000602866030 349797834 /nfs/dbraw/zinc/79/78/34/349797834.db2.gz MONTYESDHBOPAY-RYUDHWBXSA-N 1 2 225.336 1.289 20 0 BDADLO CSCCCC(=O)NCCn1cc[nH+]c1 ZINC000128348300 346929265 /nfs/dbraw/zinc/92/92/65/346929265.db2.gz XGWWKLXXXYUHGI-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO c1cn(CCc2nc(COC3CCC3)no2)c[nH+]1 ZINC000634673541 343124566 /nfs/dbraw/zinc/12/45/66/343124566.db2.gz NGDDEXMLDZEMKC-UHFFFAOYSA-N 1 2 248.286 1.578 20 0 BDADLO CCc1noc(C[NH+]2CCC(CCO)CC2)n1 ZINC000309983822 343131092 /nfs/dbraw/zinc/13/10/92/343131092.db2.gz SDBLOACNMMBJRO-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579751 192355391 /nfs/dbraw/zinc/35/53/91/192355391.db2.gz UZKOVLBBSFLVLV-STQMWFEESA-N 1 2 248.326 1.740 20 0 BDADLO COc1ccc[nH+]c1NCC[C@H](C)OC ZINC000379918456 365734329 /nfs/dbraw/zinc/73/43/29/365734329.db2.gz FMXAIGXVHUYBQT-VIFPVBQESA-N 1 2 210.277 1.927 20 0 BDADLO C[C@@H](NC(=O)COC(C)(C)C)c1[nH]cc[nH+]1 ZINC000125402917 343173576 /nfs/dbraw/zinc/17/35/76/343173576.db2.gz KRWUENMOKPFCGU-MRVPVSSYSA-N 1 2 225.292 1.402 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(C)C ZINC000160212228 343203384 /nfs/dbraw/zinc/20/33/84/343203384.db2.gz HLUJYUIFKYUYGK-QWRGUYRKSA-N 1 2 243.347 1.731 20 0 BDADLO CCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000163113200 343206305 /nfs/dbraw/zinc/20/63/05/343206305.db2.gz KTKSDJMRONUUMO-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000163113200 343206307 /nfs/dbraw/zinc/20/63/07/343206307.db2.gz KTKSDJMRONUUMO-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CCC(CC)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625298498 343227332 /nfs/dbraw/zinc/22/73/32/343227332.db2.gz SDCRZHUAMNFZCD-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO CCC(CC)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625298498 343227333 /nfs/dbraw/zinc/22/73/33/343227333.db2.gz SDCRZHUAMNFZCD-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1F ZINC000625314141 343231065 /nfs/dbraw/zinc/23/10/65/343231065.db2.gz MHBYZRLMJCGUMJ-WDEREUQCSA-N 1 2 244.354 1.829 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1F ZINC000625314141 343231066 /nfs/dbraw/zinc/23/10/66/343231066.db2.gz MHBYZRLMJCGUMJ-WDEREUQCSA-N 1 2 244.354 1.829 20 0 BDADLO CC(C)c1nc(N[C@@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000569719682 323038990 /nfs/dbraw/zinc/03/89/90/323038990.db2.gz VSDFFFYQTCAVQC-UWVGGRQHSA-N 1 2 221.304 1.611 20 0 BDADLO CN(C)c1ccc(NCc2cnn(C)c2)c[nH+]1 ZINC000036988759 343329646 /nfs/dbraw/zinc/32/96/46/343329646.db2.gz XAOBBZHZEUTCIM-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO C[C@@H]([NH2+]c1ccc(OCC(N)=O)cc1)C1CC1 ZINC000037041344 343331673 /nfs/dbraw/zinc/33/16/73/343331673.db2.gz ZOVWJOLXSLGFCM-SECBINFHSA-N 1 2 234.299 1.761 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCCO2)[nH+]1 ZINC000348722178 136294767 /nfs/dbraw/zinc/29/47/67/136294767.db2.gz SDARTYASGLMULB-VIFPVBQESA-N 1 2 232.287 1.279 20 0 BDADLO CC(C)/C=C\c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053933 362163933 /nfs/dbraw/zinc/16/39/33/362163933.db2.gz QXKLLBLKZDVSGC-PLNGDYQASA-N 1 2 231.303 1.729 20 0 BDADLO CC(C)CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650743 343337763 /nfs/dbraw/zinc/33/77/63/343337763.db2.gz SCNSMIPKKRCFLQ-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO CC[C@H]1CCC[C@]2(C1)NC(=O)C[N@@H+]2CC ZINC000335643562 136304074 /nfs/dbraw/zinc/30/40/74/136304074.db2.gz POSKVTKLTMLQON-JQWIXIFHSA-N 1 2 210.321 1.735 20 0 BDADLO CC[C@H]1CCC[C@]2(C1)NC(=O)C[N@H+]2CC ZINC000335643562 136304075 /nfs/dbraw/zinc/30/40/75/136304075.db2.gz POSKVTKLTMLQON-JQWIXIFHSA-N 1 2 210.321 1.735 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCCCS2)c[nH+]1 ZINC000335672778 136316999 /nfs/dbraw/zinc/31/69/99/136316999.db2.gz RMHCYYSMKAENCK-SECBINFHSA-N 1 2 239.344 1.734 20 0 BDADLO CCC1(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000362965989 168438125 /nfs/dbraw/zinc/43/81/25/168438125.db2.gz IDHGRFUZCNDQGU-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO C[C@H](O)CN(C)c1[nH+]c2cccc(F)c2n1C ZINC000335678138 136319439 /nfs/dbraw/zinc/31/94/39/136319439.db2.gz ISWIRXYMAGJFLP-QMMMGPOBSA-N 1 2 237.278 1.529 20 0 BDADLO CC1(C)C[C@@H](n2cc(Cn3cc[nH+]c3)nn2)CO1 ZINC000641088644 362211676 /nfs/dbraw/zinc/21/16/76/362211676.db2.gz JVQZDMHFPLONBF-LLVKDONJSA-N 1 2 247.302 1.263 20 0 BDADLO Cc1cc(Cn2cc(C3(F)COC3)nn2)cc[nH+]1 ZINC000641089487 362213904 /nfs/dbraw/zinc/21/39/04/362213904.db2.gz OXEIRTVATUULBM-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO CC(C)=CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367084887 136333269 /nfs/dbraw/zinc/33/32/69/136333269.db2.gz OFCSEPVPMHKUHU-ZDUSSCGKSA-N 1 2 245.326 1.521 20 0 BDADLO c1ccc(N2CC[C@@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000335703450 136334626 /nfs/dbraw/zinc/33/46/26/136334626.db2.gz YKGXEABSCWLWNV-NEPJUHHUSA-N 1 2 218.300 1.944 20 0 BDADLO O=C([O-])c1ccc[nH+]c1NCCn1cc[nH+]c1 ZINC000042208974 343431577 /nfs/dbraw/zinc/43/15/77/343431577.db2.gz YWKKITWICDMVFE-UHFFFAOYSA-N 1 2 232.243 1.088 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccncc2)C[C@@H](C)S1=O ZINC000335708799 136336946 /nfs/dbraw/zinc/33/69/46/136336946.db2.gz LAKBKVUXUGJAOM-GHMZBOCLSA-N 1 2 238.356 1.423 20 0 BDADLO COCc1cnc(C[N@H+](C)[C@@H](C)CO)s1 ZINC000349294847 136337854 /nfs/dbraw/zinc/33/78/54/136337854.db2.gz ILTGADDYBSEQGV-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1cnc(C[N@@H+](C)[C@@H](C)CO)s1 ZINC000349294847 136337855 /nfs/dbraw/zinc/33/78/55/136337855.db2.gz ILTGADDYBSEQGV-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000335713396 136338465 /nfs/dbraw/zinc/33/84/65/136338465.db2.gz RCRNTSRLPKGMPQ-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccncc1 ZINC000335713396 136338466 /nfs/dbraw/zinc/33/84/66/136338466.db2.gz RCRNTSRLPKGMPQ-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857798 136356184 /nfs/dbraw/zinc/35/61/84/136356184.db2.gz YPEIDIIZKFJSDK-SVRRBLITSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857798 136356185 /nfs/dbraw/zinc/35/61/85/136356185.db2.gz YPEIDIIZKFJSDK-SVRRBLITSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@@H](CF)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000350521051 136361774 /nfs/dbraw/zinc/36/17/74/136361774.db2.gz VVBMPJKXXXCIAI-QWRGUYRKSA-N 1 2 245.342 1.518 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351107767 136367978 /nfs/dbraw/zinc/36/79/78/136367978.db2.gz ZCSAIYYUJJUBTK-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351107767 136367979 /nfs/dbraw/zinc/36/79/79/136367979.db2.gz ZCSAIYYUJJUBTK-GFCCVEGCSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cn1 ZINC000580548281 365750202 /nfs/dbraw/zinc/75/02/02/365750202.db2.gz MOKJJDFRWYVOFB-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cn1 ZINC000580548281 365750211 /nfs/dbraw/zinc/75/02/11/365750211.db2.gz MOKJJDFRWYVOFB-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC=CC1 ZINC000616693618 343539460 /nfs/dbraw/zinc/53/94/60/343539460.db2.gz UNQLZSINIXDFKK-JTQLQIEISA-N 1 2 245.326 1.740 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC=CC1 ZINC000616693618 343539462 /nfs/dbraw/zinc/53/94/62/343539462.db2.gz UNQLZSINIXDFKK-JTQLQIEISA-N 1 2 245.326 1.740 20 0 BDADLO CCSCCNc1ccc(OC)c[nH+]1 ZINC000379547657 343576775 /nfs/dbraw/zinc/57/67/75/343576775.db2.gz XYMUHYMRMKEAQY-UHFFFAOYSA-N 1 2 212.318 1.677 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC(F)(F)F)C(C)C ZINC000070912412 343565619 /nfs/dbraw/zinc/56/56/19/343565619.db2.gz PTZGXARFVUGNHI-SSDOTTSWSA-N 1 2 227.226 1.726 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000602902069 349816714 /nfs/dbraw/zinc/81/67/14/349816714.db2.gz FPTZWOOVUFIWTQ-DTORHVGOSA-N 1 2 235.274 1.915 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000602902069 349816718 /nfs/dbraw/zinc/81/67/18/349816718.db2.gz FPTZWOOVUFIWTQ-DTORHVGOSA-N 1 2 235.274 1.915 20 0 BDADLO CCOCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000119001470 343593374 /nfs/dbraw/zinc/59/33/74/343593374.db2.gz OVHVRYMZBMUGGG-VIFPVBQESA-N 1 2 217.309 1.200 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000073709648 343580161 /nfs/dbraw/zinc/58/01/61/343580161.db2.gz WTODXISZZMQJNO-UHFFFAOYSA-N 1 2 233.246 1.685 20 0 BDADLO C[C@H]1C[N@H+](CCC(F)(F)F)CC[S@@](=O)C1 ZINC000335863508 344034934 /nfs/dbraw/zinc/03/49/34/344034934.db2.gz XMBCAXUVLOFSGS-VXJOIVPMSA-N 1 2 243.294 1.639 20 0 BDADLO C[C@H]1C[N@@H+](CCC(F)(F)F)CC[S@@](=O)C1 ZINC000335863508 344034935 /nfs/dbraw/zinc/03/49/35/344034935.db2.gz XMBCAXUVLOFSGS-VXJOIVPMSA-N 1 2 243.294 1.639 20 0 BDADLO Cc1[nH]ncc1C[N@H+](CCO)CC(C)(C)C ZINC000678241403 488225297 /nfs/dbraw/zinc/22/52/97/488225297.db2.gz GKRKPKIPQWRASL-UHFFFAOYSA-N 1 2 225.336 1.559 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](CCO)CC(C)(C)C ZINC000678241403 488225298 /nfs/dbraw/zinc/22/52/98/488225298.db2.gz GKRKPKIPQWRASL-UHFFFAOYSA-N 1 2 225.336 1.559 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1ccccc1F ZINC000622745817 343605559 /nfs/dbraw/zinc/60/55/59/343605559.db2.gz XFLZOKSSCAMOFE-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1ccccc1F ZINC000622745817 343605560 /nfs/dbraw/zinc/60/55/60/343605560.db2.gz XFLZOKSSCAMOFE-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC1(C)C ZINC000620075694 343633016 /nfs/dbraw/zinc/63/30/16/343633016.db2.gz AUJHCXDRUOUGRZ-LBPRGKRZSA-N 1 2 221.304 1.267 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000570281058 323055018 /nfs/dbraw/zinc/05/50/18/323055018.db2.gz SECHJECATPLOBO-LLVKDONJSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H](CCO)SCc1[nH+]ccn1C ZINC000083812496 343673485 /nfs/dbraw/zinc/67/34/85/343673485.db2.gz SATCYBXLSBWUTC-QMMMGPOBSA-N 1 2 200.307 1.424 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC(C)(C)C)C(C)(C)C ZINC000119131478 343651317 /nfs/dbraw/zinc/65/13/17/343651317.db2.gz WVJNSZIJLKNBKM-JTQLQIEISA-N 1 2 245.363 1.979 20 0 BDADLO COC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602950896 349829146 /nfs/dbraw/zinc/82/91/46/349829146.db2.gz PDJJAVQMEJAVOE-UHFFFAOYSA-N 1 2 203.257 1.231 20 0 BDADLO CCCSCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000058298566 343699602 /nfs/dbraw/zinc/69/96/02/343699602.db2.gz QTNKUWLPTIGNOV-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO CC1(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178386330 346954092 /nfs/dbraw/zinc/95/40/92/346954092.db2.gz DBISJUFPFOWQOD-UHFFFAOYSA-N 1 2 229.283 1.751 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636773725 349837597 /nfs/dbraw/zinc/83/75/97/349837597.db2.gz AQQVWNZFEMWFHQ-VHSXEESVSA-N 1 2 248.330 1.153 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CSC[C@@H]2C)no1 ZINC000309035198 346955985 /nfs/dbraw/zinc/95/59/85/346955985.db2.gz HQFIIENBTBKFMB-JGVFFNPUSA-N 1 2 227.333 1.473 20 0 BDADLO Cc1cc(CNC(=O)COC(F)F)cc(C)[nH+]1 ZINC000421574206 192364213 /nfs/dbraw/zinc/36/42/13/192364213.db2.gz FAIIWSWQAHOHOJ-UHFFFAOYSA-N 1 2 244.241 1.554 20 0 BDADLO Cc1cnc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000625435088 343736689 /nfs/dbraw/zinc/73/66/89/343736689.db2.gz NDZLPXWYIFNAOE-SNVBAGLBSA-N 1 2 243.314 1.627 20 0 BDADLO C[N@H+](CC(=O)NCC1CC1)Cc1ccco1 ZINC000042334287 343742939 /nfs/dbraw/zinc/74/29/39/343742939.db2.gz AOOOLOXKVZAGLS-UHFFFAOYSA-N 1 2 222.288 1.238 20 0 BDADLO C[N@@H+](CC(=O)NCC1CC1)Cc1ccco1 ZINC000042334287 343742943 /nfs/dbraw/zinc/74/29/43/343742943.db2.gz AOOOLOXKVZAGLS-UHFFFAOYSA-N 1 2 222.288 1.238 20 0 BDADLO C[C@H](CC(=O)N1CC[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC000619340643 343743493 /nfs/dbraw/zinc/74/34/93/343743493.db2.gz QVBPNOCCLFCTJB-WOPDTQHZSA-N 1 2 233.315 1.703 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccoc1Cl ZINC000336394184 537806506 /nfs/dbraw/zinc/80/65/06/537806506.db2.gz XCPNYQPFWVSLNQ-UHFFFAOYSA-N 1 2 239.662 1.597 20 0 BDADLO CCOCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000048128774 343714121 /nfs/dbraw/zinc/71/41/21/343714121.db2.gz OBJJHOXWTCPMAJ-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CS[C@@H](CO)[C@H](C)Nc1cc[nH+]cc1F ZINC000380301814 343723076 /nfs/dbraw/zinc/72/30/76/343723076.db2.gz DWCIYLVPZGLITA-XVKPBYJWSA-N 1 2 230.308 1.167 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccccn1 ZINC000061512252 343725782 /nfs/dbraw/zinc/72/57/82/343725782.db2.gz YBFGSAGFGJMTFT-UHFFFAOYSA-N 1 2 230.271 1.087 20 0 BDADLO O=C(COCc1ccccc1)NCc1c[nH+]c[nH]1 ZINC000088753265 343730411 /nfs/dbraw/zinc/73/04/11/343730411.db2.gz KUNMZLXHSRFQGE-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO O=C(COCc1ccccc1)NCc1c[nH]c[nH+]1 ZINC000088753265 343730412 /nfs/dbraw/zinc/73/04/12/343730412.db2.gz KUNMZLXHSRFQGE-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CSC(C)C ZINC000570404632 323058672 /nfs/dbraw/zinc/05/86/72/323058672.db2.gz LFWRXJMPRYNXIN-UHFFFAOYSA-N 1 2 241.360 1.661 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CSC2(C)C)C1 ZINC000584182396 343770978 /nfs/dbraw/zinc/77/09/78/343770978.db2.gz ZLORZMWVFICSRW-SECBINFHSA-N 1 2 242.388 1.338 20 0 BDADLO CCC[C@H](OCC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000625450813 343777741 /nfs/dbraw/zinc/77/77/41/343777741.db2.gz RKBYZOIRBGGALA-JTQLQIEISA-N 1 2 239.319 1.274 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H](CCO)C1 ZINC000128579168 349856123 /nfs/dbraw/zinc/85/61/23/349856123.db2.gz YQFNYYNFBLRTPN-LLVKDONJSA-N 1 2 236.315 1.689 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H]2COC[C@@H]2C1 ZINC000624408779 343758579 /nfs/dbraw/zinc/75/85/79/343758579.db2.gz FAZUBRGHBNIQBN-QWRGUYRKSA-N 1 2 234.299 1.563 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]cn2C)c1F ZINC000336531342 537813507 /nfs/dbraw/zinc/81/35/07/537813507.db2.gz AJNIZTQQKXGUNV-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1Cc1cn(C)c[nH+]1 ZINC000683897114 488233549 /nfs/dbraw/zinc/23/35/49/488233549.db2.gz MYZXQCBKKXRZHF-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cn(C)cn1 ZINC000683897114 488233552 /nfs/dbraw/zinc/23/35/52/488233552.db2.gz MYZXQCBKKXRZHF-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cn(C)cn1 ZINC000683897114 488233554 /nfs/dbraw/zinc/23/35/54/488233554.db2.gz MYZXQCBKKXRZHF-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOC(C)(C)C ZINC000678283511 488237247 /nfs/dbraw/zinc/23/72/47/488237247.db2.gz DZQWRBIVJBLRNY-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000396809504 349879000 /nfs/dbraw/zinc/87/90/00/349879000.db2.gz AZTXXWCYHLUAGT-BDAKNGLRSA-N 1 2 215.293 1.095 20 0 BDADLO CCC[C@H](OCC)C(=O)NCc1[nH]cc[nH+]1 ZINC000625488721 343884549 /nfs/dbraw/zinc/88/45/49/343884549.db2.gz IQFAMQFMWOMOTJ-VIFPVBQESA-N 1 2 225.292 1.231 20 0 BDADLO C[N@H+](CC(=O)NCC(C)(C)C)Cc1ccccn1 ZINC000625453351 343860456 /nfs/dbraw/zinc/86/04/56/343860456.db2.gz JQZPMDSSACUDAI-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccccn1 ZINC000625453351 343860458 /nfs/dbraw/zinc/86/04/58/343860458.db2.gz JQZPMDSSACUDAI-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO COc1ccncc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000625467608 343872558 /nfs/dbraw/zinc/87/25/58/343872558.db2.gz HIURFMRKWUIDJN-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)s1)C1(CO)CC1 ZINC000528503080 262953801 /nfs/dbraw/zinc/95/38/01/262953801.db2.gz KIJRXTSGPYUTSL-UHFFFAOYSA-N 1 2 239.344 1.372 20 0 BDADLO CCCC[C@@H]([NH2+]CCSC)C(=O)OC ZINC000135130585 343941702 /nfs/dbraw/zinc/94/17/02/343941702.db2.gz XIRKXLFQOZZATP-SECBINFHSA-N 1 2 219.350 1.671 20 0 BDADLO C[C@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000641240624 362297185 /nfs/dbraw/zinc/29/71/85/362297185.db2.gz IQQJOEXPUZSDIL-QMMMGPOBSA-N 1 2 207.277 1.308 20 0 BDADLO CSC[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000187945819 259371888 /nfs/dbraw/zinc/37/18/88/259371888.db2.gz YMBMJGKIZZAFSZ-QMMMGPOBSA-N 1 2 227.320 1.686 20 0 BDADLO CSC[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000187945819 259371889 /nfs/dbraw/zinc/37/18/89/259371889.db2.gz YMBMJGKIZZAFSZ-QMMMGPOBSA-N 1 2 227.320 1.686 20 0 BDADLO Cc1ccnc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000580592506 365800512 /nfs/dbraw/zinc/80/05/12/365800512.db2.gz SSGSJVKMWUOFQW-UHFFFAOYSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1ncc(C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000628117808 343967451 /nfs/dbraw/zinc/96/74/51/343967451.db2.gz VRXYTGYNKRGIKM-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ncc[nH]1 ZINC000336738956 537838606 /nfs/dbraw/zinc/83/86/06/537838606.db2.gz KSNDEJKQFHJKGU-RNFRBKRXSA-N 1 2 237.225 1.374 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H]3C)ccn12 ZINC000641244509 362307976 /nfs/dbraw/zinc/30/79/76/362307976.db2.gz PCBDJVUMLXVAMN-SECBINFHSA-N 1 2 229.283 1.877 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@H]1C)n1cc[nH+]c1 ZINC000641246757 362316905 /nfs/dbraw/zinc/31/69/05/362316905.db2.gz IYPBJSHXAONGBQ-ZJUUUORDSA-N 1 2 207.277 1.455 20 0 BDADLO CCc1cc(N[C@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000127239691 344063343 /nfs/dbraw/zinc/06/33/43/344063343.db2.gz NNGARBSBALCNMA-ZJUUUORDSA-N 1 2 221.304 1.876 20 0 BDADLO CCNC(=O)CN(CC)c1cc[nH+]cc1F ZINC000641261772 362336930 /nfs/dbraw/zinc/33/69/30/362336930.db2.gz UJEVXUSFBBUUCC-UHFFFAOYSA-N 1 2 225.267 1.183 20 0 BDADLO CC(C)COCCCNc1cc(CO)cc[nH+]1 ZINC000641267432 362340342 /nfs/dbraw/zinc/34/03/42/362340342.db2.gz UDXWRGKJMYKGEZ-UHFFFAOYSA-N 1 2 238.331 1.470 20 0 BDADLO O=C(NC1CC1)[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000641284694 362344609 /nfs/dbraw/zinc/34/46/09/362344609.db2.gz PJKACXWWYHKYDD-LBPRGKRZSA-N 1 2 249.289 1.468 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2nccs2)CCO1 ZINC000634734921 344115492 /nfs/dbraw/zinc/11/54/92/344115492.db2.gz RSHCAIUBPSSIPB-QMMMGPOBSA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2nccs2)CCO1 ZINC000634734921 344115495 /nfs/dbraw/zinc/11/54/95/344115495.db2.gz RSHCAIUBPSSIPB-QMMMGPOBSA-N 1 2 248.298 1.999 20 0 BDADLO O[C@@H]1CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641299637 362350773 /nfs/dbraw/zinc/35/07/73/362350773.db2.gz VUBNXJIQHQHNGJ-DTWKUNHWSA-N 1 2 210.252 1.358 20 0 BDADLO Fc1c[nH+]ccc1NCCOCC(F)(F)F ZINC000641300551 362352730 /nfs/dbraw/zinc/35/27/30/362352730.db2.gz OICVFSZOAOAUER-UHFFFAOYSA-N 1 2 238.184 1.633 20 0 BDADLO Cc1cnc(C[NH+](C2CC2)C2CC2)nc1 ZINC000625843155 344094468 /nfs/dbraw/zinc/09/44/68/344094468.db2.gz QFXFRVUMLGKALK-UHFFFAOYSA-N 1 2 203.289 1.912 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000588648588 344167971 /nfs/dbraw/zinc/16/79/71/344167971.db2.gz TUBKXPRSAVVJDE-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000588648588 344167975 /nfs/dbraw/zinc/16/79/75/344167975.db2.gz TUBKXPRSAVVJDE-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nc(C)n1 ZINC000625853995 344125791 /nfs/dbraw/zinc/12/57/91/344125791.db2.gz QEZQUMMRRDARDF-UONOGXRCSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nc(C)n1 ZINC000625853995 344125794 /nfs/dbraw/zinc/12/57/94/344125794.db2.gz QEZQUMMRRDARDF-UONOGXRCSA-N 1 2 247.342 1.847 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2ccon2)CCO1 ZINC000634753802 344208128 /nfs/dbraw/zinc/20/81/28/344208128.db2.gz NVZBHALQIJUARY-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2ccon2)CCO1 ZINC000634753802 344208129 /nfs/dbraw/zinc/20/81/29/344208129.db2.gz NVZBHALQIJUARY-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC(C)(C)C ZINC000130812301 344224304 /nfs/dbraw/zinc/22/43/04/344224304.db2.gz OMAPKYXWLYNYLP-BDAKNGLRSA-N 1 2 231.361 1.812 20 0 BDADLO COCC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641327557 362364972 /nfs/dbraw/zinc/36/49/72/362364972.db2.gz AILVOMWBYMZXPB-VIFPVBQESA-N 1 2 210.277 1.411 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(C)o1 ZINC000628136070 344201281 /nfs/dbraw/zinc/20/12/81/344201281.db2.gz PXWJZERQLRYIJI-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(C)o1 ZINC000628136070 344201283 /nfs/dbraw/zinc/20/12/83/344201283.db2.gz PXWJZERQLRYIJI-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC1CC1)CC2 ZINC000625871336 344251118 /nfs/dbraw/zinc/25/11/18/344251118.db2.gz CULMTOHGRNRPNB-LBPRGKRZSA-N 1 2 247.342 1.670 20 0 BDADLO CC1(C)CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000309362810 347040891 /nfs/dbraw/zinc/04/08/91/347040891.db2.gz OGQMCGCEXNKTNW-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO CCC[C@@H](CCO)Nc1[nH+]cnc2c1cnn2C ZINC000631426209 344263810 /nfs/dbraw/zinc/26/38/10/344263810.db2.gz HKDCVPOETYGNFZ-VIFPVBQESA-N 1 2 249.318 1.326 20 0 BDADLO OCCC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641359823 362376112 /nfs/dbraw/zinc/37/61/12/362376112.db2.gz LBSDXZLKLBLLGC-UHFFFAOYSA-N 1 2 224.279 1.820 20 0 BDADLO Cc1noc(C)c1CCNc1cc(CO)cc[nH+]1 ZINC000641364525 362377627 /nfs/dbraw/zinc/37/76/27/362377627.db2.gz WSRCHTFNDXOEDI-UHFFFAOYSA-N 1 2 247.298 1.833 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000641374510 362381897 /nfs/dbraw/zinc/38/18/97/362381897.db2.gz WSLFGOJEXAEFRK-SKDRFNHKSA-N 1 2 226.295 1.852 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634779768 344316616 /nfs/dbraw/zinc/31/66/16/344316616.db2.gz FPZNESWMAXNHDI-QNSHHTMESA-N 1 2 223.276 1.017 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634779768 344316619 /nfs/dbraw/zinc/31/66/19/344316619.db2.gz FPZNESWMAXNHDI-QNSHHTMESA-N 1 2 223.276 1.017 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc2[nH]nnc2c1 ZINC000032529792 344426069 /nfs/dbraw/zinc/42/60/69/344426069.db2.gz NLUMNJBAJQUXEM-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO O[C@@H]1CCC[C@H](CNc2cc[nH+]cc2F)C1 ZINC000641394648 362389654 /nfs/dbraw/zinc/38/96/54/362389654.db2.gz SOJDMNMHJCKKJG-VHSXEESVSA-N 1 2 224.279 1.606 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccncc1 ZINC000042221952 344447082 /nfs/dbraw/zinc/44/70/82/344447082.db2.gz ZHDPWIAGELTMIW-UHFFFAOYSA-N 1 2 208.261 1.077 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccncc1 ZINC000042221952 344447085 /nfs/dbraw/zinc/44/70/85/344447085.db2.gz ZHDPWIAGELTMIW-UHFFFAOYSA-N 1 2 208.261 1.077 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C ZINC000042534204 344458633 /nfs/dbraw/zinc/45/86/33/344458633.db2.gz HTANFCJRMXKQPN-SECBINFHSA-N 1 2 209.293 1.434 20 0 BDADLO COCCOC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641398661 362392988 /nfs/dbraw/zinc/39/29/88/362392988.db2.gz UAPVAWUGDFBNKA-JTQLQIEISA-N 1 2 240.303 1.037 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000381203834 344484630 /nfs/dbraw/zinc/48/46/30/344484630.db2.gz FSDFMUZBNQUGMS-VHSXEESVSA-N 1 2 219.288 1.266 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)C(F)(F)F ZINC000234949415 344494135 /nfs/dbraw/zinc/49/41/35/344494135.db2.gz WIWPFFLTCFZEBL-SSDOTTSWSA-N 1 2 236.193 1.425 20 0 BDADLO OCc1cc[nH+]c(NCCC(F)(F)F)c1 ZINC000641407241 362395197 /nfs/dbraw/zinc/39/51/97/362395197.db2.gz ZJWIKEYBSVQPHU-UHFFFAOYSA-N 1 2 220.194 1.938 20 0 BDADLO CC[C@H](C[C@H](C)CO)Nc1cc(CO)cc[nH+]1 ZINC000641410369 362401249 /nfs/dbraw/zinc/40/12/49/362401249.db2.gz SGWPLEVCXCXEJN-CMPLNLGQSA-N 1 2 238.331 1.783 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000043628698 344529012 /nfs/dbraw/zinc/52/90/12/344529012.db2.gz FBXNJAXUNPHJPS-NSHDSACASA-N 1 2 221.300 1.988 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000043628698 344529014 /nfs/dbraw/zinc/52/90/14/344529014.db2.gz FBXNJAXUNPHJPS-NSHDSACASA-N 1 2 221.300 1.988 20 0 BDADLO C[N@H+](CCO)Cc1ccncc1Br ZINC000395934719 344575126 /nfs/dbraw/zinc/57/51/26/344575126.db2.gz GZBDDACHBJHSCI-UHFFFAOYSA-N 1 2 245.120 1.268 20 0 BDADLO C[N@@H+](CCO)Cc1ccncc1Br ZINC000395934719 344575128 /nfs/dbraw/zinc/57/51/28/344575128.db2.gz GZBDDACHBJHSCI-UHFFFAOYSA-N 1 2 245.120 1.268 20 0 BDADLO CCN(C[C@@H]1CCOC1)c1cc(CO)cc[nH+]1 ZINC000641451471 362425905 /nfs/dbraw/zinc/42/59/05/362425905.db2.gz SHJVTHQKMNGBBZ-LBPRGKRZSA-N 1 2 236.315 1.437 20 0 BDADLO COC(=O)C[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000603319783 349913724 /nfs/dbraw/zinc/91/37/24/349913724.db2.gz OMDDXNQVAYZSST-VIFPVBQESA-N 1 2 238.262 1.753 20 0 BDADLO OCc1cc[nH+]c(NCCC2=CCCC2)c1 ZINC000641458504 362432968 /nfs/dbraw/zinc/43/29/68/362432968.db2.gz BKCLAJNDVNSYMR-UHFFFAOYSA-N 1 2 218.300 1.908 20 0 BDADLO OCc1cc[nH+]c(N[C@H](CO)CC2CC2)c1 ZINC000641460765 362432990 /nfs/dbraw/zinc/43/29/90/362432990.db2.gz ARRSOYDKYCAENS-NSHDSACASA-N 1 2 222.288 1.147 20 0 BDADLO C[C@H](CCO)SCc1cn(C)c[nH+]1 ZINC000603319927 349913989 /nfs/dbraw/zinc/91/39/89/349913989.db2.gz NOZBFUCLNCNXIV-MRVPVSSYSA-N 1 2 200.307 1.424 20 0 BDADLO C[C@H](C[C@@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641436067 362417676 /nfs/dbraw/zinc/41/76/76/362417676.db2.gz NENBPGFWDGXEJY-ZJUUUORDSA-N 1 2 224.279 1.870 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349234993 534963475 /nfs/dbraw/zinc/96/34/75/534963475.db2.gz FLYAHLPJXHCBBG-UWVGGRQHSA-N 1 2 239.319 1.486 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)[C@@H]1CCCCO1 ZINC000641482460 362450240 /nfs/dbraw/zinc/45/02/40/362450240.db2.gz PMIUWZPYXHTLOY-PWSUYJOCSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@@H](O)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641484265 362452704 /nfs/dbraw/zinc/45/27/04/362452704.db2.gz LYDLBZSOGFMOQY-RKDXNWHRSA-N 1 2 210.252 1.428 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC000577854264 344611151 /nfs/dbraw/zinc/61/11/51/344611151.db2.gz HRXLFJWEVNADHA-YFKTTZPYSA-N 1 2 233.315 1.749 20 0 BDADLO OCC[C@@H]1CCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641503922 362466572 /nfs/dbraw/zinc/46/65/72/362466572.db2.gz JAVGZTFIVKKUPW-ONGXEEELSA-N 1 2 224.279 1.606 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@H](C)[C@H](C)O1 ZINC000641521679 362478699 /nfs/dbraw/zinc/47/86/99/362478699.db2.gz LPFKGKYFMZENEU-MXWKQRLJSA-N 1 2 236.315 1.576 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@@H](C)[C@@H](C)O1 ZINC000641521680 362479284 /nfs/dbraw/zinc/47/92/84/362479284.db2.gz LPFKGKYFMZENEU-OUAUKWLOSA-N 1 2 236.315 1.576 20 0 BDADLO CN(Cc1cccnc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493740976 530005794 /nfs/dbraw/zinc/00/57/94/530005794.db2.gz PCAYNGLWSNAEJC-PLNGDYQASA-N 1 2 242.282 1.477 20 0 BDADLO CN(Cc1ccco1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492825854 530006638 /nfs/dbraw/zinc/00/66/38/530006638.db2.gz TUUJCCWBULVGLY-PLNGDYQASA-N 1 2 231.255 1.675 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626001489 344662369 /nfs/dbraw/zinc/66/23/69/344662369.db2.gz RCTFSGNCMYTTTD-LLVKDONJSA-N 1 2 242.294 1.852 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626001489 344662370 /nfs/dbraw/zinc/66/23/70/344662370.db2.gz RCTFSGNCMYTTTD-LLVKDONJSA-N 1 2 242.294 1.852 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005873 344664004 /nfs/dbraw/zinc/66/40/04/344664004.db2.gz LYKQZFIIFOVBOP-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005873 344664006 /nfs/dbraw/zinc/66/40/06/344664006.db2.gz LYKQZFIIFOVBOP-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ccn1 ZINC000626006950 344665764 /nfs/dbraw/zinc/66/57/64/344665764.db2.gz PHLBWKGTVYBWMW-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CCF)C2)ccn1 ZINC000626006950 344665766 /nfs/dbraw/zinc/66/57/66/344665766.db2.gz PHLBWKGTVYBWMW-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO c1cn(CCCNc2cccnn2)c[nH+]1 ZINC000052815968 344669810 /nfs/dbraw/zinc/66/98/10/344669810.db2.gz AGEYDSJWEFECHZ-UHFFFAOYSA-N 1 2 203.249 1.175 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017310 344673836 /nfs/dbraw/zinc/67/38/36/344673836.db2.gz HCKULWWZVJQPLV-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017310 344673839 /nfs/dbraw/zinc/67/38/39/344673839.db2.gz HCKULWWZVJQPLV-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018524 344674351 /nfs/dbraw/zinc/67/43/51/344674351.db2.gz KIDJLFAZVRZVEY-CIUDSAMLSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018524 344674354 /nfs/dbraw/zinc/67/43/54/344674354.db2.gz KIDJLFAZVRZVEY-CIUDSAMLSA-N 1 2 241.253 1.673 20 0 BDADLO CCc1cc(N(CC)CCC(=O)OC)nc[nH+]1 ZINC000050085225 344640155 /nfs/dbraw/zinc/64/01/55/344640155.db2.gz PKTFFYYGWYUYNT-UHFFFAOYSA-N 1 2 237.303 1.428 20 0 BDADLO CNC(=O)[C@@]1(C)CCN(c2cc[nH+]cc2F)C1 ZINC000641547521 362494955 /nfs/dbraw/zinc/49/49/55/362494955.db2.gz ASVSHWMLKSXENI-LBPRGKRZSA-N 1 2 237.278 1.183 20 0 BDADLO C[C@@H](Cc1nc([C@H]2CCOC2)no1)n1cc[nH+]c1 ZINC000351394223 344750957 /nfs/dbraw/zinc/75/09/57/344750957.db2.gz BWMUJWZHRCFLBC-UWVGGRQHSA-N 1 2 248.286 1.574 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](C2CC2)C1 ZINC000290789141 537855493 /nfs/dbraw/zinc/85/54/93/537855493.db2.gz DKXCMDWJYHJSAI-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](C2CC2)C1 ZINC000290789141 537855501 /nfs/dbraw/zinc/85/55/01/537855501.db2.gz DKXCMDWJYHJSAI-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO COCc1nc(C[NH+]2CCC(O)CC2)cs1 ZINC000075621069 344781118 /nfs/dbraw/zinc/78/11/18/344781118.db2.gz KXERRIPXPWSZRJ-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000673008551 488271657 /nfs/dbraw/zinc/27/16/57/488271657.db2.gz FYUIPAJACVKUDP-MRVPVSSYSA-N 1 2 243.257 1.267 20 0 BDADLO C[C@H](CC[S@](C)=O)Nc1cc[nH+]cc1F ZINC000603303706 349916229 /nfs/dbraw/zinc/91/62/29/349916229.db2.gz QVRAFVWZVKPDAE-GLEZIHRCSA-N 1 2 230.308 1.212 20 0 BDADLO C[C@@H](C[S@@](C)=O)Nc1nc[nH+]c2c1CCC2 ZINC000164226901 323077187 /nfs/dbraw/zinc/07/71/87/323077187.db2.gz ISXIXAOJLFMOGW-PWJLMRLQSA-N 1 2 239.344 1.144 20 0 BDADLO CCn1cc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000076176295 344799350 /nfs/dbraw/zinc/79/93/50/344799350.db2.gz VQRLWSNDOLXPOH-UHFFFAOYSA-N 1 2 233.275 1.128 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000075637003 344782443 /nfs/dbraw/zinc/78/24/43/344782443.db2.gz DAUVMAJJQHFLIY-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000075637003 344782444 /nfs/dbraw/zinc/78/24/44/344782444.db2.gz DAUVMAJJQHFLIY-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO Cc1nnc(C[NH+]2C[C@H](C)S[C@@H](C)C2)o1 ZINC000075891550 344787016 /nfs/dbraw/zinc/78/70/16/344787016.db2.gz LVTZWNZSTOTFER-YUMQZZPRSA-N 1 2 227.333 1.704 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)C ZINC000076552832 344804386 /nfs/dbraw/zinc/80/43/86/344804386.db2.gz KPBWCOAHHPCRNW-SNVBAGLBSA-N 1 2 238.335 1.617 20 0 BDADLO O[C@@H](CNc1cccc[nH+]1)c1ccco1 ZINC000076685271 344805519 /nfs/dbraw/zinc/80/55/19/344805519.db2.gz QZBRMLRGOBGJHD-VIFPVBQESA-N 1 2 204.229 1.820 20 0 BDADLO O[C@H](CNc1cccc[nH+]1)c1ccco1 ZINC000076685275 344805748 /nfs/dbraw/zinc/80/57/48/344805748.db2.gz QZBRMLRGOBGJHD-SECBINFHSA-N 1 2 204.229 1.820 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291462369 537861522 /nfs/dbraw/zinc/86/15/22/537861522.db2.gz OFZNVEIKDOMEBU-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](CCO)C2)s1 ZINC000678623507 488273240 /nfs/dbraw/zinc/27/32/40/488273240.db2.gz HMYIPYALSAKVQV-SNVBAGLBSA-N 1 2 241.360 1.441 20 0 BDADLO CC1(C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000077352678 344817225 /nfs/dbraw/zinc/81/72/25/344817225.db2.gz VIDMHUHESRVOBB-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO CCC(=O)N1CCC[N@H+](Cc2ccno2)CC1 ZINC000077387723 344817859 /nfs/dbraw/zinc/81/78/59/344817859.db2.gz YYXQLRVRKFAXON-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO CCC(=O)N1CCC[N@@H+](Cc2ccno2)CC1 ZINC000077387723 344817862 /nfs/dbraw/zinc/81/78/62/344817862.db2.gz YYXQLRVRKFAXON-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO C[C@H](NC(=O)C12CC(C1)C2)c1[nH+]ccn1C ZINC000628148970 344835509 /nfs/dbraw/zinc/83/55/09/344835509.db2.gz HQRICBBBQVZXSV-QTZUAFFRSA-N 1 2 219.288 1.397 20 0 BDADLO CC[C@@H]1COCCN1c1cc[nH+]c(C)n1 ZINC000078264712 344840583 /nfs/dbraw/zinc/84/05/83/344840583.db2.gz SVJLTNJYYHLXFH-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC=CCC1 ZINC000077592710 344823170 /nfs/dbraw/zinc/82/31/70/344823170.db2.gz UKIAUQGKPKWJNL-SNVBAGLBSA-N 1 2 234.303 1.328 20 0 BDADLO CCn1nccc1C[NH2+]Cc1ncc(C)o1 ZINC000234211068 537864188 /nfs/dbraw/zinc/86/41/88/537864188.db2.gz NMYCGGXLNWYIPM-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO Cc1[nH]c(CN(C)CC(F)F)[nH+]c1C ZINC000628155522 344846285 /nfs/dbraw/zinc/84/62/85/344846285.db2.gz CCNMWANOGJABNQ-UHFFFAOYSA-N 1 2 203.236 1.723 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1 ZINC000078337883 344848626 /nfs/dbraw/zinc/84/86/26/344848626.db2.gz KMIDPUVRRADGSC-LLVKDONJSA-N 1 2 237.299 1.559 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1 ZINC000078337883 344848629 /nfs/dbraw/zinc/84/86/29/344848629.db2.gz KMIDPUVRRADGSC-LLVKDONJSA-N 1 2 237.299 1.559 20 0 BDADLO Cc1ncc(C[NH+]2CCN(CC(F)F)CC2)o1 ZINC000628156605 344849391 /nfs/dbraw/zinc/84/93/91/344849391.db2.gz VMJKRJPWZSLQRO-UHFFFAOYSA-N 1 2 245.273 1.366 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000628153944 344843132 /nfs/dbraw/zinc/84/31/32/344843132.db2.gz HVFMCWLRSPFUTN-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000628153944 344843134 /nfs/dbraw/zinc/84/31/34/344843134.db2.gz HVFMCWLRSPFUTN-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000628162051 344862416 /nfs/dbraw/zinc/86/24/16/344862416.db2.gz BNPXKNOUMCOKKJ-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000628162051 344862418 /nfs/dbraw/zinc/86/24/18/344862418.db2.gz BNPXKNOUMCOKKJ-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO COCCN(Cc1[nH]c(C)c(C)[nH+]1)CC(F)F ZINC000628162403 344863114 /nfs/dbraw/zinc/86/31/14/344863114.db2.gz OSYUFCBSXZZRLG-UHFFFAOYSA-N 1 2 247.289 1.740 20 0 BDADLO COC[C@@H]([NH2+]Cc1nnsc1Cl)C(C)C ZINC000380341122 344872503 /nfs/dbraw/zinc/87/25/03/344872503.db2.gz RRCSNDPUQCSHJR-MRVPVSSYSA-N 1 2 249.767 1.952 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000628175359 344898097 /nfs/dbraw/zinc/89/80/97/344898097.db2.gz USAYEPJEECLYIG-VIFPVBQESA-N 1 2 211.334 1.655 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000628175359 344898099 /nfs/dbraw/zinc/89/80/99/344898099.db2.gz USAYEPJEECLYIG-VIFPVBQESA-N 1 2 211.334 1.655 20 0 BDADLO c1nc(C2CC2)oc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000628177409 344905185 /nfs/dbraw/zinc/90/51/85/344905185.db2.gz XZVCNTNEXCNPAH-PHIMTYICSA-N 1 2 234.299 1.915 20 0 BDADLO c1nc(C2CC2)oc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000628177409 344905187 /nfs/dbraw/zinc/90/51/87/344905187.db2.gz XZVCNTNEXCNPAH-PHIMTYICSA-N 1 2 234.299 1.915 20 0 BDADLO CCC1(O)CC[NH+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000628183391 344929687 /nfs/dbraw/zinc/92/96/87/344929687.db2.gz ZQPAELJETUHJJI-UHFFFAOYSA-N 1 2 237.347 1.763 20 0 BDADLO CCC1(O)CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628183391 344929688 /nfs/dbraw/zinc/92/96/88/344929688.db2.gz ZQPAELJETUHJJI-UHFFFAOYSA-N 1 2 237.347 1.763 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2nccs2)[nH+]1 ZINC000628181509 344921324 /nfs/dbraw/zinc/92/13/24/344921324.db2.gz GEVDBNDMIRFRNV-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO C[C@@H](CNC(=O)c1cccnc1)Cn1cc[nH+]c1 ZINC000153706945 344958927 /nfs/dbraw/zinc/95/89/27/344958927.db2.gz JNJWESKDWUYOEN-NSHDSACASA-N 1 2 244.298 1.344 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628198784 344963195 /nfs/dbraw/zinc/96/31/95/344963195.db2.gz KTSRQNHCFNTYCI-UHFFFAOYSA-N 1 2 237.303 1.168 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC000583443262 344977295 /nfs/dbraw/zinc/97/72/95/344977295.db2.gz FTPJQEQXTUMXQK-VWYCJHECSA-N 1 2 233.315 1.312 20 0 BDADLO COC(=O)[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000579207007 344943587 /nfs/dbraw/zinc/94/35/87/344943587.db2.gz ASDRMQSDFAYIJO-ZDUSSCGKSA-N 1 2 249.314 1.565 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000079577339 344991813 /nfs/dbraw/zinc/99/18/13/344991813.db2.gz JTHBZBALTCCOJO-TUAOUCFPSA-N 1 2 235.331 1.824 20 0 BDADLO CCc1nc(C[N@H+](CC)C[C@@H]2CCOC2)no1 ZINC000054317387 344992179 /nfs/dbraw/zinc/99/21/79/344992179.db2.gz DAODOXHNNXPRGS-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@@H+](CC)C[C@@H]2CCOC2)no1 ZINC000054317387 344992180 /nfs/dbraw/zinc/99/21/80/344992180.db2.gz DAODOXHNNXPRGS-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CC1(C)OCC[C@H]1Nc1cc[nH+]cc1F ZINC000641614928 362547552 /nfs/dbraw/zinc/54/75/52/362547552.db2.gz AERXLQDQTQFJPQ-SNVBAGLBSA-N 1 2 210.252 1.622 20 0 BDADLO C[C@@H]1CSC[C@@H]1Nc1cc[nH+]cc1F ZINC000641592833 362534569 /nfs/dbraw/zinc/53/45/69/362534569.db2.gz PQTQVCKFOSXSLN-XCBNKYQSSA-N 1 2 212.293 1.806 20 0 BDADLO CC(C)[C@@H](CO)CNc1cc[nH+]cc1F ZINC000641603038 362540301 /nfs/dbraw/zinc/54/03/01/362540301.db2.gz AHXVFXOCLDGPLN-SECBINFHSA-N 1 2 212.268 1.319 20 0 BDADLO Fc1c[nH+]ccc1N1CCC[C@H](n2ccnn2)C1 ZINC000641641893 362568549 /nfs/dbraw/zinc/56/85/49/362568549.db2.gz QVQDLYGYUSIFBB-JTQLQIEISA-N 1 2 247.277 1.654 20 0 BDADLO C[C@@H]1SCC[C@H]1Nc1cc[nH+]cc1F ZINC000641646667 362572688 /nfs/dbraw/zinc/57/26/88/362572688.db2.gz LLFRDZOKDBUAJN-IONNQARKSA-N 1 2 212.293 1.949 20 0 BDADLO C[C@@H]1SCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641647137 362573629 /nfs/dbraw/zinc/57/36/29/362573629.db2.gz PRVJNDBGDIVAEM-WCBMZHEXSA-N 1 2 224.329 1.880 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CO1 ZINC000641648420 362575133 /nfs/dbraw/zinc/57/51/33/362575133.db2.gz JNHDIABBQDENOY-WPRPVWTQSA-N 1 2 208.261 1.163 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CO1 ZINC000641648418 362575409 /nfs/dbraw/zinc/57/54/09/362575409.db2.gz JNHDIABBQDENOY-SCZZXKLOSA-N 1 2 208.261 1.163 20 0 BDADLO OCC1(CCNc2cc[nH+]cc2F)CCC1 ZINC000641651834 362578579 /nfs/dbraw/zinc/57/85/79/362578579.db2.gz FPAYJRFUKFSIPZ-UHFFFAOYSA-N 1 2 224.279 1.607 20 0 BDADLO C[C@@H](COCC1CC1)Nc1cc[nH+]cc1F ZINC000641652076 362578667 /nfs/dbraw/zinc/57/86/67/362578667.db2.gz PRAAMJLDGPBKLR-VIFPVBQESA-N 1 2 224.279 1.870 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641626353 362555402 /nfs/dbraw/zinc/55/54/02/362555402.db2.gz ADRWVCKGHHDYAW-DTORHVGOSA-N 1 2 210.252 1.622 20 0 BDADLO C[C@H]1CC[C@H](CNc2cc[nH+]cc2F)O1 ZINC000641626926 362556846 /nfs/dbraw/zinc/55/68/46/362556846.db2.gz IBOPYXDSHMNQLJ-DTWKUNHWSA-N 1 2 210.252 1.622 20 0 BDADLO O=C(Nc1ccncc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155874089 345109879 /nfs/dbraw/zinc/10/98/79/345109879.db2.gz QOTQGZWLKHHXST-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO Cc1ncc(CNc2cc(CO)cc[nH+]2)o1 ZINC000641629202 362559571 /nfs/dbraw/zinc/55/95/71/362559571.db2.gz XOSRZVVQUJJRGS-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO CCCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155876814 345110224 /nfs/dbraw/zinc/11/02/24/345110224.db2.gz TUTXTLBPVILLHR-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CO[C@@H]([C@@H](C)Nc1cc(CO)cc[nH+]1)C1CC1 ZINC000641630095 362560138 /nfs/dbraw/zinc/56/01/38/362560138.db2.gz RQHAFDBEEUHRJO-RNCFNFMXSA-N 1 2 236.315 1.799 20 0 BDADLO Fc1c[nH+]ccc1N1C[C@@H]2C[C@H]1CS2 ZINC000641629565 362560727 /nfs/dbraw/zinc/56/07/27/362560727.db2.gz IZYZBROKXZSOFS-YUMQZZPRSA-N 1 2 210.277 1.915 20 0 BDADLO CCC1(CNc2cc(CO)cc[nH+]2)COC1 ZINC000641630847 362562005 /nfs/dbraw/zinc/56/20/05/362562005.db2.gz XAJUQOVXADKFPB-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccon1 ZINC000634986542 345166455 /nfs/dbraw/zinc/16/64/55/345166455.db2.gz YAQDVYHPWOWXEW-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO COC(=O)CCNc1cc(C2CC2)[nH+]cn1 ZINC000260518027 345171220 /nfs/dbraw/zinc/17/12/20/345171220.db2.gz UMQHUBMCJSQUDY-UHFFFAOYSA-N 1 2 221.260 1.329 20 0 BDADLO CCN(CC)C(=O)CSCc1cn(C)c[nH+]1 ZINC000603328187 349924023 /nfs/dbraw/zinc/92/40/23/349924023.db2.gz UNAIYCAEXXBURB-UHFFFAOYSA-N 1 2 241.360 1.522 20 0 BDADLO CC[C@H]([NH2+]Cc1ccon1)[C@@H](O)C(F)(F)F ZINC000634973632 345152605 /nfs/dbraw/zinc/15/26/05/345152605.db2.gz GTIHDMHHIVWCMH-JGVFFNPUSA-N 1 2 238.209 1.466 20 0 BDADLO CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635057367 345231560 /nfs/dbraw/zinc/23/15/60/345231560.db2.gz UNYWACCKSNDWKX-NXEZZACHSA-N 1 2 221.304 1.820 20 0 BDADLO CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635057367 345231561 /nfs/dbraw/zinc/23/15/61/345231561.db2.gz UNYWACCKSNDWKX-NXEZZACHSA-N 1 2 221.304 1.820 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccccc2)[nH+]1 ZINC000635058346 345231897 /nfs/dbraw/zinc/23/18/97/345231897.db2.gz KBMVSQHQYVKRJM-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO O=C(NCc1ccncc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635064884 345233480 /nfs/dbraw/zinc/23/34/80/345233480.db2.gz DDYIBVAGSJDWFS-GHMZBOCLSA-N 1 2 242.282 1.225 20 0 BDADLO O=C(NCc1ccncc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635064884 345233483 /nfs/dbraw/zinc/23/34/83/345233483.db2.gz DDYIBVAGSJDWFS-GHMZBOCLSA-N 1 2 242.282 1.225 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccccn2)[nH+]1 ZINC000635066310 345238159 /nfs/dbraw/zinc/23/81/59/345238159.db2.gz SOVDQGKGVVDYNC-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO CC(C)C[C@@H](C(=O)N1CCC1)n1cc[nH+]c1 ZINC000635138380 345256497 /nfs/dbraw/zinc/25/64/97/345256497.db2.gz XGDHFVOIOYYXAG-NSHDSACASA-N 1 2 221.304 1.703 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000408468355 345318531 /nfs/dbraw/zinc/31/85/31/345318531.db2.gz QFTVZBOLNYGUIN-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCCO2)[nH]1 ZINC000408468355 345318534 /nfs/dbraw/zinc/31/85/34/345318534.db2.gz QFTVZBOLNYGUIN-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1cn2ccc(C(=O)N(C)C3CC3)cc2[nH+]1 ZINC000635264126 345289257 /nfs/dbraw/zinc/28/92/57/345289257.db2.gz YWIPZIPYRPBOAX-UHFFFAOYSA-N 1 2 229.283 1.877 20 0 BDADLO CCn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000635281825 345293833 /nfs/dbraw/zinc/29/38/33/345293833.db2.gz NNUAEFBVPRMTMW-NXEZZACHSA-N 1 2 245.286 1.368 20 0 BDADLO CCn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000635281825 345293837 /nfs/dbraw/zinc/29/38/37/345293837.db2.gz NNUAEFBVPRMTMW-NXEZZACHSA-N 1 2 245.286 1.368 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CC(C)(C)O ZINC000158338595 345324162 /nfs/dbraw/zinc/32/41/62/345324162.db2.gz LOIMQKQDOFWBNM-UHFFFAOYSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CC(C)(C)O ZINC000158338595 345324163 /nfs/dbraw/zinc/32/41/63/345324163.db2.gz LOIMQKQDOFWBNM-UHFFFAOYSA-N 1 2 240.351 1.199 20 0 BDADLO CCc1c[nH]c(CC(=O)NC(C)(C)COC)[nH+]1 ZINC000635483015 345390904 /nfs/dbraw/zinc/39/09/04/345390904.db2.gz LLEMEKMKPRDAHH-UHFFFAOYSA-N 1 2 239.319 1.056 20 0 BDADLO CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635449411 345376025 /nfs/dbraw/zinc/37/60/25/345376025.db2.gz WZUUVWVPGDJHJN-RKDXNWHRSA-N 1 2 207.277 1.382 20 0 BDADLO CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635449411 345376027 /nfs/dbraw/zinc/37/60/27/345376027.db2.gz WZUUVWVPGDJHJN-RKDXNWHRSA-N 1 2 207.277 1.382 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635462390 345382377 /nfs/dbraw/zinc/38/23/77/345382377.db2.gz QEBKBJQRYLOTIP-OPRDCNLKSA-N 1 2 221.304 1.770 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635462390 345382379 /nfs/dbraw/zinc/38/23/79/345382379.db2.gz QEBKBJQRYLOTIP-OPRDCNLKSA-N 1 2 221.304 1.770 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000158873496 345382668 /nfs/dbraw/zinc/38/26/68/345382668.db2.gz MQVUGLBXNNIWBD-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000158873496 345382670 /nfs/dbraw/zinc/38/26/70/345382670.db2.gz MQVUGLBXNNIWBD-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC[C@H](C)OC)[nH+]1 ZINC000635474826 345386754 /nfs/dbraw/zinc/38/67/54/345386754.db2.gz CXXJQLOIMVTDGG-VIFPVBQESA-N 1 2 239.319 1.056 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC[C@@H](F)C1)c1c[nH]c[nH+]1 ZINC000574893263 345431223 /nfs/dbraw/zinc/43/12/23/345431223.db2.gz RLVMWUOYUOEYRA-BDAKNGLRSA-N 1 2 239.294 1.694 20 0 BDADLO CC[C@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)CCO1 ZINC000080945978 345454052 /nfs/dbraw/zinc/45/40/52/345454052.db2.gz ALRLZSOTAVCOCH-JTQLQIEISA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C(=O)N(C)C)[nH+]1 ZINC000080947820 345454133 /nfs/dbraw/zinc/45/41/33/345454133.db2.gz VGUNWLBGCZVOID-ZETCQYMHSA-N 1 2 247.302 1.155 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C(F)F)CC[C@@H]1O ZINC000159464000 345436052 /nfs/dbraw/zinc/43/60/52/345436052.db2.gz MBCPJJFIJRHWHT-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C(F)F)CC[C@@H]1O ZINC000159464000 345436053 /nfs/dbraw/zinc/43/60/53/345436053.db2.gz MBCPJJFIJRHWHT-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO CCc1cccc(OCc2nc(C[NH2+]C)no2)c1 ZINC000562740683 345442723 /nfs/dbraw/zinc/44/27/23/345442723.db2.gz VEMVSPQQSFXNGQ-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO C[C@H](CNC(=O)/C=C/C1CC1)Cn1cc[nH+]c1 ZINC000081801300 345492711 /nfs/dbraw/zinc/49/27/11/345492711.db2.gz RCNRKNHGWXHXLJ-SGUJLRQBSA-N 1 2 233.315 1.602 20 0 BDADLO Cc1ncsc1C(=O)NCc1[nH+]ccn1C ZINC000082270181 345500031 /nfs/dbraw/zinc/50/00/31/345500031.db2.gz LOZRIPHTFHCXLU-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO O=C1CC[C@H]2CN(c3cc[nH+]cc3F)CC[C@H]2N1 ZINC000641660270 362586534 /nfs/dbraw/zinc/58/65/34/362586534.db2.gz ZKHWUIICUFZDPA-GXSJLCMTSA-N 1 2 249.289 1.326 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]3COC[C@H]3C2)c1 ZINC000641666360 362588607 /nfs/dbraw/zinc/58/86/07/362588607.db2.gz DONMODKQFSFOCB-VXGBXAGGSA-N 1 2 234.299 1.047 20 0 BDADLO c1cnn([C@H]2CCCC[C@H]2[NH2+]Cc2ccn[nH]2)c1 ZINC000081197292 345467319 /nfs/dbraw/zinc/46/73/19/345467319.db2.gz UHIYLEOUNSLBEN-OLZOCXBDSA-N 1 2 245.330 1.880 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1CCC=CCC1 ZINC000635544652 345559929 /nfs/dbraw/zinc/55/99/29/345559929.db2.gz KBPKSZPNSBHDNI-UHFFFAOYSA-N 1 2 233.315 1.815 20 0 BDADLO COC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000090451542 345568968 /nfs/dbraw/zinc/56/89/68/345568968.db2.gz ZJKWTBHCORLGRL-KOLCDFICSA-N 1 2 243.347 1.731 20 0 BDADLO Fc1c[nH+]ccc1NCC[C@@H]1CCCOC1 ZINC000641675774 362596786 /nfs/dbraw/zinc/59/67/86/362596786.db2.gz DCNUHTUHUJAGIA-JTQLQIEISA-N 1 2 224.279 1.871 20 0 BDADLO COc1ccsc1C[N@@H+]1CCOC[C@@H]1C ZINC000091814771 345611255 /nfs/dbraw/zinc/61/12/55/345611255.db2.gz BMDVOMOZAZCLCL-VIFPVBQESA-N 1 2 227.329 1.977 20 0 BDADLO COc1ccsc1C[N@H+]1CCOC[C@@H]1C ZINC000091814771 345611258 /nfs/dbraw/zinc/61/12/58/345611258.db2.gz BMDVOMOZAZCLCL-VIFPVBQESA-N 1 2 227.329 1.977 20 0 BDADLO FCCOCCNc1cc[nH+]cc1F ZINC000641673027 362597463 /nfs/dbraw/zinc/59/74/63/362597463.db2.gz GZUZKVMHHYTQLX-UHFFFAOYSA-N 1 2 202.204 1.041 20 0 BDADLO Cc1nc(N2C[C@H]3C[C@@]3(O)C2)c2c([nH+]1)CCCC2 ZINC000641712397 362623865 /nfs/dbraw/zinc/62/38/65/362623865.db2.gz JCOKRNQUEFXVBD-QMTHXVAHSA-N 1 2 245.326 1.235 20 0 BDADLO CCc1cc(C(=O)Nc2cc[nH+]c(C)c2)n(C)n1 ZINC000635553241 345650011 /nfs/dbraw/zinc/65/00/11/345650011.db2.gz YOWOEDREVITSGP-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO CN(C)C(=O)[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000641677023 362598898 /nfs/dbraw/zinc/59/88/98/362598898.db2.gz BKKJWXLQKKFPOZ-NSHDSACASA-N 1 2 237.278 1.278 20 0 BDADLO C[C@@H]1C[C@H](CO)CCN1c1cc[nH+]cc1F ZINC000641679156 362600487 /nfs/dbraw/zinc/60/04/87/362600487.db2.gz HVJBARISTSOOLV-NXEZZACHSA-N 1 2 224.279 1.818 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000093317431 345652150 /nfs/dbraw/zinc/65/21/50/345652150.db2.gz RQNMAWABHGVGKC-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000093317431 345652153 /nfs/dbraw/zinc/65/21/53/345652153.db2.gz RQNMAWABHGVGKC-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CCn1cnc2c1ncnc2-n1cc[nH+]c1 ZINC000136156920 345679322 /nfs/dbraw/zinc/67/93/22/345679322.db2.gz IGEZFHNSZHCKNI-UHFFFAOYSA-N 1 2 214.232 1.032 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1C[C@H]2C[C@@]2(O)C1 ZINC000641714211 362629964 /nfs/dbraw/zinc/62/99/64/362629964.db2.gz WNTUGQIEXZNLEL-AMIZOPFISA-N 1 2 247.273 1.283 20 0 BDADLO O[C@@]12C[C@@H]1CN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000641715681 362632957 /nfs/dbraw/zinc/63/29/57/362632957.db2.gz XLVAKRMNURHYRM-PRHODGIISA-N 1 2 215.256 1.134 20 0 BDADLO O[C@]12C[C@H]1CN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000641715683 362633150 /nfs/dbraw/zinc/63/31/50/362633150.db2.gz XLVAKRMNURHYRM-UFBFGSQYSA-N 1 2 215.256 1.134 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCOC2)nc[nH+]1 ZINC000223673202 345748933 /nfs/dbraw/zinc/74/89/33/345748933.db2.gz CEPWDMGCMUHOAB-SNVBAGLBSA-N 1 2 207.277 1.258 20 0 BDADLO Cc1nc[nH]c1C(=O)NCCCCn1cc[nH+]c1 ZINC000635558280 345726505 /nfs/dbraw/zinc/72/65/05/345726505.db2.gz IWSJRNJEKVXSFZ-UHFFFAOYSA-N 1 2 247.302 1.125 20 0 BDADLO Fc1ccc2c(c1)OCCN(Cc1[nH]cc[nH+]1)C2 ZINC000626152610 345782657 /nfs/dbraw/zinc/78/26/57/345782657.db2.gz XXXMDSURCWDNSB-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NCC(C)C)o1 ZINC000049091187 345856028 /nfs/dbraw/zinc/85/60/28/345856028.db2.gz UDDFENSJZBVSQQ-UHFFFAOYSA-N 1 2 238.331 1.792 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NCC(C)C)o1 ZINC000049091187 345856032 /nfs/dbraw/zinc/85/60/32/345856032.db2.gz UDDFENSJZBVSQQ-UHFFFAOYSA-N 1 2 238.331 1.792 20 0 BDADLO Cc1cc(C)n(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000141106513 345836344 /nfs/dbraw/zinc/83/63/44/345836344.db2.gz WROYDIIEVDZWLJ-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635582208 345878546 /nfs/dbraw/zinc/87/85/46/345878546.db2.gz JPJKJBAAANTFBX-HBNTYKKESA-N 1 2 231.299 1.738 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635582208 345878548 /nfs/dbraw/zinc/87/85/48/345878548.db2.gz JPJKJBAAANTFBX-HBNTYKKESA-N 1 2 231.299 1.738 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC1 ZINC000635586310 345880727 /nfs/dbraw/zinc/88/07/27/345880727.db2.gz TXCOBXXKWDUMTL-GHMZBOCLSA-N 1 2 233.315 1.914 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC1 ZINC000635586310 345880732 /nfs/dbraw/zinc/88/07/32/345880732.db2.gz TXCOBXXKWDUMTL-GHMZBOCLSA-N 1 2 233.315 1.914 20 0 BDADLO CCc1cc(N[C@@H](C)CN2CCCC2=O)nc[nH+]1 ZINC000603383580 349940645 /nfs/dbraw/zinc/94/06/45/349940645.db2.gz GRVORCJUZXINLL-JTQLQIEISA-N 1 2 248.330 1.462 20 0 BDADLO CNc1cc(N2CCCCCC2)nc[nH+]1 ZINC000087806032 345941245 /nfs/dbraw/zinc/94/12/45/345941245.db2.gz NEALLCDJOUZPGN-UHFFFAOYSA-N 1 2 206.293 1.899 20 0 BDADLO CNc1cc(N2CCCCCC2)[nH+]cn1 ZINC000087806032 345941246 /nfs/dbraw/zinc/94/12/46/345941246.db2.gz NEALLCDJOUZPGN-UHFFFAOYSA-N 1 2 206.293 1.899 20 0 BDADLO COCCCCN(C)c1cc(C)[nH+]cn1 ZINC000419014900 192094449 /nfs/dbraw/zinc/09/44/49/192094449.db2.gz LFXDEMIKUMVKQH-UHFFFAOYSA-N 1 2 209.293 1.648 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cn[nH]c1 ZINC000586767742 346075025 /nfs/dbraw/zinc/07/50/25/346075025.db2.gz WMMDCRWYBSODFI-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cn[nH]c1 ZINC000586767742 346075027 /nfs/dbraw/zinc/07/50/27/346075027.db2.gz WMMDCRWYBSODFI-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC=C(C)C)[nH+]1 ZINC000635845830 346088912 /nfs/dbraw/zinc/08/89/12/346088912.db2.gz OGWZXVHCOLZZHW-UHFFFAOYSA-N 1 2 235.331 1.987 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCCCO3)cc2[nH+]1 ZINC000635850237 346090267 /nfs/dbraw/zinc/09/02/67/346090267.db2.gz LFKKTIFAEHZALY-UHFFFAOYSA-N 1 2 245.282 1.810 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@H](C)O)cs1 ZINC000051838172 346090285 /nfs/dbraw/zinc/09/02/85/346090285.db2.gz NFJPZQXGCILSQW-QMMMGPOBSA-N 1 2 214.334 1.518 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@H](C)O)cs1 ZINC000051838172 346090287 /nfs/dbraw/zinc/09/02/87/346090287.db2.gz NFJPZQXGCILSQW-QMMMGPOBSA-N 1 2 214.334 1.518 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CCC=CCC1 ZINC000635986704 346139468 /nfs/dbraw/zinc/13/94/68/346139468.db2.gz RNQJFVLCUSGRRA-GFCCVEGCSA-N 1 2 245.326 1.670 20 0 BDADLO FCC(CF)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000449382693 201897259 /nfs/dbraw/zinc/89/72/59/201897259.db2.gz XXTOWVDGEZDYDJ-UHFFFAOYSA-N 1 2 225.242 1.960 20 0 BDADLO CO[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635927320 346117749 /nfs/dbraw/zinc/11/77/49/346117749.db2.gz XSARXMOFARRTSL-OPRDCNLKSA-N 1 2 237.303 1.007 20 0 BDADLO CO[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635927320 346117751 /nfs/dbraw/zinc/11/77/51/346117751.db2.gz XSARXMOFARRTSL-OPRDCNLKSA-N 1 2 237.303 1.007 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C(C)C)CC2)[nH+]1 ZINC000635966392 346125932 /nfs/dbraw/zinc/12/59/32/346125932.db2.gz QIULRUWKZZSFBY-UHFFFAOYSA-N 1 2 235.331 1.819 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635977850 346131170 /nfs/dbraw/zinc/13/11/70/346131170.db2.gz HMDCHPQDZLHWQN-RKDXNWHRSA-N 1 2 219.288 1.572 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635977850 346131171 /nfs/dbraw/zinc/13/11/71/346131171.db2.gz HMDCHPQDZLHWQN-RKDXNWHRSA-N 1 2 219.288 1.572 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cc(C)no2)o1 ZINC000631151982 346165999 /nfs/dbraw/zinc/16/59/99/346165999.db2.gz DJCRSNZWVZDPTJ-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO CSCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036194 346171044 /nfs/dbraw/zinc/17/10/44/346171044.db2.gz NIOSFJPGONIAJB-VIFPVBQESA-N 1 2 239.344 1.067 20 0 BDADLO Cc1cccc(-c2noc([C@H]([NH3+])CO)n2)c1 ZINC000022151418 179000061 /nfs/dbraw/zinc/00/00/61/179000061.db2.gz YDPOBEOBDYCCMJ-SECBINFHSA-N 1 2 219.244 1.037 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](CO)c2ccsc2)o1 ZINC000628239842 346200489 /nfs/dbraw/zinc/20/04/89/346200489.db2.gz GVJOOANVYVPZBM-NSHDSACASA-N 1 2 238.312 1.868 20 0 BDADLO Cc1ncc(C[NH2+][C@H](CCO)c2ccco2)o1 ZINC000628240038 346201249 /nfs/dbraw/zinc/20/12/49/346201249.db2.gz OFDAWXNGAIAKSW-LLVKDONJSA-N 1 2 236.271 1.789 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1nc(C)c[nH]1 ZINC000628247916 346215548 /nfs/dbraw/zinc/21/55/48/346215548.db2.gz VAAWDHLQXUQPBX-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1nc(C)c[nH]1 ZINC000628247916 346215549 /nfs/dbraw/zinc/21/55/49/346215549.db2.gz VAAWDHLQXUQPBX-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C(C)C)C2)[nH+]c1C ZINC000628234766 346188303 /nfs/dbraw/zinc/18/83/03/346188303.db2.gz MKVZMXHLDNWQOC-LBPRGKRZSA-N 1 2 237.347 1.883 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2ccccn2)[nH+]1 ZINC000628237882 346194486 /nfs/dbraw/zinc/19/44/86/346194486.db2.gz CJLWVGVTKKMQOE-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C(C)(C)C)C2)[nH+]1 ZINC000628255000 346237921 /nfs/dbraw/zinc/23/79/21/346237921.db2.gz XYZGMDWHDOLHET-LLVKDONJSA-N 1 2 237.347 1.965 20 0 BDADLO CCc1cc(NC[C@@](C)(O)[C@H](C)CC)nc[nH+]1 ZINC000603393997 349945682 /nfs/dbraw/zinc/94/56/82/349945682.db2.gz LTOWLRKONSVQGV-ZWNOBZJWSA-N 1 2 237.347 1.670 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000631156337 346278630 /nfs/dbraw/zinc/27/86/30/346278630.db2.gz LPSKFGGCSMNALD-UTLUCORTSA-N 1 2 237.303 1.182 20 0 BDADLO CO[C@H]1C[C@@H](N(C)Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628271863 346282336 /nfs/dbraw/zinc/28/23/36/346282336.db2.gz UDKMGIWEMGQHST-PHIMTYICSA-N 1 2 223.320 1.636 20 0 BDADLO COCc1cc(C[NH2+][C@@H](C)CF)no1 ZINC000641753686 362678264 /nfs/dbraw/zinc/67/82/64/362678264.db2.gz FQRPLTOPYTWVKL-ZETCQYMHSA-N 1 2 202.229 1.269 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000636143392 346332289 /nfs/dbraw/zinc/33/22/89/346332289.db2.gz TYKZNMWMISBAMQ-WGBDABJCSA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000636143392 346332291 /nfs/dbraw/zinc/33/22/91/346332291.db2.gz TYKZNMWMISBAMQ-WGBDABJCSA-N 1 2 245.326 1.914 20 0 BDADLO CCOC(=O)C1(C)CC([NH2+][C@@H](C)C(F)F)C1 ZINC000603429286 349952054 /nfs/dbraw/zinc/95/20/54/349952054.db2.gz MYWPFMKKRNBZNR-JYPKXMCJSA-N 1 2 235.274 1.961 20 0 BDADLO CCCn1nccc1CNc1cc(CO)cc[nH+]1 ZINC000641762062 362684967 /nfs/dbraw/zinc/68/49/67/362684967.db2.gz CLDWBSIEKPNGDP-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636178513 346346603 /nfs/dbraw/zinc/34/66/03/346346603.db2.gz WDKDRQWIQZUJLK-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636178513 346346606 /nfs/dbraw/zinc/34/66/06/346346606.db2.gz WDKDRQWIQZUJLK-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC(C)(C)F)[nH+]1 ZINC000636181341 346348520 /nfs/dbraw/zinc/34/85/20/346348520.db2.gz DGGFMFOOAHJCCN-UHFFFAOYSA-N 1 2 241.310 1.769 20 0 BDADLO C[C@@H]([NH2+]Cc1ccncc1N)c1cscn1 ZINC000641771850 362711139 /nfs/dbraw/zinc/71/11/39/362711139.db2.gz JMXSPXMMEXIKOP-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C ZINC000563382538 323121900 /nfs/dbraw/zinc/12/19/00/323121900.db2.gz CCFDCMBQDANAOH-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C ZINC000563382538 323121901 /nfs/dbraw/zinc/12/19/01/323121901.db2.gz CCFDCMBQDANAOH-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1CCN(Cc2[nH+]ccn2C)C[C@@H]1F ZINC000679217899 488318012 /nfs/dbraw/zinc/31/80/12/488318012.db2.gz KWIIEECEPUUJSZ-UWVGGRQHSA-N 1 2 211.284 1.600 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(C)(C)C[C@H](C)O ZINC000563420142 323123987 /nfs/dbraw/zinc/12/39/87/323123987.db2.gz MZVMGVRFYCDQOJ-JTQLQIEISA-N 1 2 237.347 1.724 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000603412652 349961178 /nfs/dbraw/zinc/96/11/78/349961178.db2.gz JQMTUTYORIKSIT-VIFPVBQESA-N 1 2 215.247 1.613 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000603412652 349961179 /nfs/dbraw/zinc/96/11/79/349961179.db2.gz JQMTUTYORIKSIT-VIFPVBQESA-N 1 2 215.247 1.613 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000563411871 323124673 /nfs/dbraw/zinc/12/46/73/323124673.db2.gz GMHWORJPWZDQCN-YIZRAAEISA-N 1 2 207.277 1.633 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679221702 488319760 /nfs/dbraw/zinc/31/97/60/488319760.db2.gz HAWBLTKCOMYMOK-SDDRHHMPSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679221702 488319762 /nfs/dbraw/zinc/31/97/62/488319762.db2.gz HAWBLTKCOMYMOK-SDDRHHMPSA-N 1 2 244.354 1.827 20 0 BDADLO Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800708 362752323 /nfs/dbraw/zinc/75/23/23/362752323.db2.gz DFFBAXNFRPRBET-OCCSQVGLSA-N 1 2 248.374 1.037 20 0 BDADLO Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800708 362752327 /nfs/dbraw/zinc/75/23/27/362752327.db2.gz DFFBAXNFRPRBET-OCCSQVGLSA-N 1 2 248.374 1.037 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC=CCC1 ZINC000636805589 349970733 /nfs/dbraw/zinc/97/07/33/349970733.db2.gz GOIWHUFYABFGCS-MNOVXSKESA-N 1 2 246.314 1.216 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC2CCC2)CC[S@]1=O ZINC000419207543 192103397 /nfs/dbraw/zinc/10/33/97/192103397.db2.gz PDINLHOYDAGVOE-BDJLRTHQSA-N 1 2 245.388 1.256 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC2CCC2)CC[S@]1=O ZINC000419207543 192103398 /nfs/dbraw/zinc/10/33/98/192103398.db2.gz PDINLHOYDAGVOE-BDJLRTHQSA-N 1 2 245.388 1.256 20 0 BDADLO COCC(C)(C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580092941 346519313 /nfs/dbraw/zinc/51/93/13/346519313.db2.gz VCBJSMFMRWXVJL-SECBINFHSA-N 1 2 239.319 1.130 20 0 BDADLO COCC(C)(C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580092941 346519315 /nfs/dbraw/zinc/51/93/15/346519315.db2.gz VCBJSMFMRWXVJL-SECBINFHSA-N 1 2 239.319 1.130 20 0 BDADLO CC[N@@H+](Cc1ccccn1)CC1OCCO1 ZINC000182454484 347095471 /nfs/dbraw/zinc/09/54/71/347095471.db2.gz CFOHGXLGGCVQGV-UHFFFAOYSA-N 1 2 222.288 1.276 20 0 BDADLO CC[N@H+](Cc1ccccn1)CC1OCCO1 ZINC000182454484 347095477 /nfs/dbraw/zinc/09/54/77/347095477.db2.gz CFOHGXLGGCVQGV-UHFFFAOYSA-N 1 2 222.288 1.276 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226949 488322230 /nfs/dbraw/zinc/32/22/30/488322230.db2.gz WCWKIEYJUUTVTO-UWVGGRQHSA-N 1 2 216.300 1.193 20 0 BDADLO CCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226949 488322233 /nfs/dbraw/zinc/32/22/33/488322233.db2.gz WCWKIEYJUUTVTO-UWVGGRQHSA-N 1 2 216.300 1.193 20 0 BDADLO Cc1cccc(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000186878109 346543255 /nfs/dbraw/zinc/54/32/55/346543255.db2.gz WRZYGZHQNQBZFL-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO CC(C)=CC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187086820 346554153 /nfs/dbraw/zinc/55/41/53/346554153.db2.gz KHORTWQXSWQRBJ-UHFFFAOYSA-N 1 2 224.348 1.753 20 0 BDADLO CC(C)=CC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187086820 346554158 /nfs/dbraw/zinc/55/41/58/346554158.db2.gz KHORTWQXSWQRBJ-UHFFFAOYSA-N 1 2 224.348 1.753 20 0 BDADLO CC(C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636448017 346570061 /nfs/dbraw/zinc/57/00/61/346570061.db2.gz SARYCTBWADJUKL-JTQLQIEISA-N 1 2 236.319 1.153 20 0 BDADLO COC[C@H](C)C[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000187586597 346588401 /nfs/dbraw/zinc/58/84/01/346588401.db2.gz IECHAVYGPPTGFT-LLVKDONJSA-N 1 2 246.314 1.962 20 0 BDADLO CCCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180292203 535052083 /nfs/dbraw/zinc/05/20/83/535052083.db2.gz UMKUPCPDTMEXCP-TXEJJXNPSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180292203 535052089 /nfs/dbraw/zinc/05/20/89/535052089.db2.gz UMKUPCPDTMEXCP-TXEJJXNPSA-N 1 2 242.363 1.402 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOC1CCC1 ZINC000588199177 346646647 /nfs/dbraw/zinc/64/66/47/346646647.db2.gz HAZVDPNWVGJWFY-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOC1CCC1 ZINC000588199177 346646648 /nfs/dbraw/zinc/64/66/48/346646648.db2.gz HAZVDPNWVGJWFY-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO Cn1cc(C[NH2+]Cc2n[nH]c3ccccc32)cn1 ZINC000589644346 346724668 /nfs/dbraw/zinc/72/46/68/346724668.db2.gz BZFLNBAPSXNQTP-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000221621319 346693725 /nfs/dbraw/zinc/69/37/25/346693725.db2.gz KKACXQWGDMCRST-LBPRGKRZSA-N 1 2 222.263 1.319 20 0 BDADLO COc1cc[nH+]cc1Cn1nc(C)cc1C ZINC000334184273 346758059 /nfs/dbraw/zinc/75/80/59/346758059.db2.gz DBFGLXNLBWATSP-UHFFFAOYSA-N 1 2 217.272 1.952 20 0 BDADLO CC[C@@H](NC(=O)CCC(C)(C)O)c1[nH]cc[nH+]1 ZINC000584327640 346769843 /nfs/dbraw/zinc/76/98/43/346769843.db2.gz GYIPAQDAPFLDFG-SECBINFHSA-N 1 2 239.319 1.528 20 0 BDADLO CCc1noc(C[N@H+](C)CCOC(C)(C)C)n1 ZINC000590060512 346769863 /nfs/dbraw/zinc/76/98/63/346769863.db2.gz FRRIOTGZCFEMMR-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCc1noc(C[N@@H+](C)CCOC(C)(C)C)n1 ZINC000590060512 346769865 /nfs/dbraw/zinc/76/98/65/346769865.db2.gz FRRIOTGZCFEMMR-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCc1nc(C[NH2+][C@H](COC)C2CC2)no1 ZINC000181560355 346755220 /nfs/dbraw/zinc/75/52/20/346755220.db2.gz XVHNLPVQVXKJLC-SECBINFHSA-N 1 2 225.292 1.147 20 0 BDADLO Cc1cccc(OCC[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368639053 179167172 /nfs/dbraw/zinc/16/71/72/179167172.db2.gz RSHXDFIRWYZROQ-KGLIPLIRSA-N 1 2 233.311 1.847 20 0 BDADLO Cc1cccc(OCC[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000368639053 179167175 /nfs/dbraw/zinc/16/71/75/179167175.db2.gz RSHXDFIRWYZROQ-KGLIPLIRSA-N 1 2 233.311 1.847 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[C@H]1C ZINC000641828663 362776159 /nfs/dbraw/zinc/77/61/59/362776159.db2.gz ROBCODBKMJVMLR-NXEZZACHSA-N 1 2 236.319 1.768 20 0 BDADLO Cn1cnnc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189657018 347212390 /nfs/dbraw/zinc/21/23/90/347212390.db2.gz GZDOEPZKKCOACM-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](CO)c3ccccc32)[nH+]1 ZINC000628294520 347181113 /nfs/dbraw/zinc/18/11/13/347181113.db2.gz WEJOKEYDDUZVJJ-LLVKDONJSA-N 1 2 243.310 1.814 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000363926743 347188181 /nfs/dbraw/zinc/18/81/81/347188181.db2.gz LCYMAFBOLCLKAD-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO CCCCOCC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000310020433 347219744 /nfs/dbraw/zinc/21/97/44/347219744.db2.gz NALKTNSXXJTXMJ-JTQLQIEISA-N 1 2 226.324 1.282 20 0 BDADLO Cc1c[nH]c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)[nH+]1 ZINC000628296829 347243375 /nfs/dbraw/zinc/24/33/75/347243375.db2.gz AHELPYPISDQXBN-KGLIPLIRSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1cccc([C@H](C)[NH2+]Cc2nnn(C)n2)c1C ZINC000194286587 179196093 /nfs/dbraw/zinc/19/60/93/179196093.db2.gz XZFXSEYWFHBLOB-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCOCC1CCC1 ZINC000419210968 192104542 /nfs/dbraw/zinc/10/45/42/192104542.db2.gz WDOYJPHPUWIMJO-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1CCC1 ZINC000419210968 192104544 /nfs/dbraw/zinc/10/45/44/192104544.db2.gz WDOYJPHPUWIMJO-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CO[C@H]([C@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000388236203 347254241 /nfs/dbraw/zinc/25/42/41/347254241.db2.gz OQTQYQXVIDQHJN-GZMMTYOYSA-N 1 2 209.293 1.313 20 0 BDADLO CO[C@@H]([C@@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000388236206 347254502 /nfs/dbraw/zinc/25/45/02/347254502.db2.gz OQTQYQXVIDQHJN-KCJUWKMLSA-N 1 2 209.293 1.313 20 0 BDADLO CCc1[nH+]c(C)ccc1OCc1nnc(C)n1C ZINC000190778619 347335752 /nfs/dbraw/zinc/33/57/52/347335752.db2.gz CFNCTXWONYAVRI-UHFFFAOYSA-N 1 2 246.314 1.968 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CC2(CCC2)C1 ZINC000616921145 347450052 /nfs/dbraw/zinc/45/00/52/347450052.db2.gz GTTJXALKCXLMEU-UHFFFAOYSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CC2(CCC2)C1 ZINC000616921145 347450057 /nfs/dbraw/zinc/45/00/57/347450057.db2.gz GTTJXALKCXLMEU-UHFFFAOYSA-N 1 2 233.315 1.948 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)C(C)(C)O)cn21 ZINC000188460862 179230029 /nfs/dbraw/zinc/23/00/29/179230029.db2.gz AYYYLYNHEUVQIA-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CC2(CC2)C1 ZINC000616921703 347451576 /nfs/dbraw/zinc/45/15/76/347451576.db2.gz ABSQKQIRTWIIBC-UHFFFAOYSA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CC2(CC2)C1 ZINC000616921703 347451578 /nfs/dbraw/zinc/45/15/78/347451578.db2.gz ABSQKQIRTWIIBC-UHFFFAOYSA-N 1 2 219.288 1.558 20 0 BDADLO C[C@H](CC(F)(F)F)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922033 347452693 /nfs/dbraw/zinc/45/26/93/347452693.db2.gz NBDSQAHEJLFUOH-SSDOTTSWSA-N 1 2 249.236 1.957 20 0 BDADLO C[C@H](CC(F)(F)F)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922033 347452694 /nfs/dbraw/zinc/45/26/94/347452694.db2.gz NBDSQAHEJLFUOH-SSDOTTSWSA-N 1 2 249.236 1.957 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC[C@H]1CCCO1 ZINC000616923577 347453552 /nfs/dbraw/zinc/45/35/52/347453552.db2.gz MSNTZEYOODLNRY-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC[C@H]1CCCO1 ZINC000616923577 347453555 /nfs/dbraw/zinc/45/35/55/347453555.db2.gz MSNTZEYOODLNRY-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)CCC1 ZINC000616925301 347456467 /nfs/dbraw/zinc/45/64/67/347456467.db2.gz CQEZDQOLDWGGNN-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)CCC1 ZINC000616925301 347456470 /nfs/dbraw/zinc/45/64/70/347456470.db2.gz CQEZDQOLDWGGNN-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO COC(C)(C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571527545 323146989 /nfs/dbraw/zinc/14/69/89/323146989.db2.gz YQYCPHAAPUYOHS-SNVBAGLBSA-N 1 2 239.319 1.375 20 0 BDADLO CO[C@H](C)CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927652 347456887 /nfs/dbraw/zinc/45/68/87/347456887.db2.gz NHRKWUPAALEXGD-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CO[C@H](C)CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927652 347456889 /nfs/dbraw/zinc/45/68/89/347456889.db2.gz NHRKWUPAALEXGD-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO C[C@H]1COC2(CCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000617942235 347443763 /nfs/dbraw/zinc/44/37/63/347443763.db2.gz JQMLGHUYABROEL-NSHDSACASA-N 1 2 249.314 1.053 20 0 BDADLO c1[nH]cc(CCc2nc(C3CC3)no2)[nH+]1 ZINC000684835258 488347772 /nfs/dbraw/zinc/34/77/72/488347772.db2.gz VRVKIVJEHDFKGU-UHFFFAOYSA-N 1 2 204.233 1.455 20 0 BDADLO c1[nH]c(CCc2nc(C3CC3)no2)c[nH+]1 ZINC000684835258 488347775 /nfs/dbraw/zinc/34/77/75/488347775.db2.gz VRVKIVJEHDFKGU-UHFFFAOYSA-N 1 2 204.233 1.455 20 0 BDADLO CC(C)n1cnc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616928701 347495113 /nfs/dbraw/zinc/49/51/13/347495113.db2.gz JJEOAYJVUJCLRB-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO CC(C)n1cnc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616928701 347495116 /nfs/dbraw/zinc/49/51/16/347495116.db2.gz JJEOAYJVUJCLRB-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928856 347495687 /nfs/dbraw/zinc/49/56/87/347495687.db2.gz OTBOVNXMHJRKAX-VHSXEESVSA-N 1 2 249.314 1.373 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928856 347495691 /nfs/dbraw/zinc/49/56/91/347495691.db2.gz OTBOVNXMHJRKAX-VHSXEESVSA-N 1 2 249.314 1.373 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616926501 347458162 /nfs/dbraw/zinc/45/81/62/347458162.db2.gz FNHXEAYKNALYQK-GHMZBOCLSA-N 1 2 237.303 1.326 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616926501 347458166 /nfs/dbraw/zinc/45/81/66/347458166.db2.gz FNHXEAYKNALYQK-GHMZBOCLSA-N 1 2 237.303 1.326 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)ccn1 ZINC000616927166 347460328 /nfs/dbraw/zinc/46/03/28/347460328.db2.gz BUFIONHYDMBSJU-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)ccn1 ZINC000616927166 347460329 /nfs/dbraw/zinc/46/03/29/347460329.db2.gz BUFIONHYDMBSJU-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO COC(=O)CC1(C[N@H+](C)Cc2ncc[nH]2)CC1 ZINC000590601376 347476017 /nfs/dbraw/zinc/47/60/17/347476017.db2.gz SIVIQVLGKQQAIS-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)CC1(C[N@@H+](C)Cc2ncc[nH]2)CC1 ZINC000590601376 347476019 /nfs/dbraw/zinc/47/60/19/347476019.db2.gz SIVIQVLGKQQAIS-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000356596725 187376815 /nfs/dbraw/zinc/37/68/15/187376815.db2.gz QUIRCINKICCHOX-VHSXEESVSA-N 1 2 221.304 1.660 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC1(C)C)C2 ZINC000616265880 347510524 /nfs/dbraw/zinc/51/05/24/347510524.db2.gz GHCZLYJQHVQPQY-SKDRFNHKSA-N 1 2 247.342 1.738 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC1(C)C)CC2 ZINC000616265880 347510527 /nfs/dbraw/zinc/51/05/27/347510527.db2.gz GHCZLYJQHVQPQY-SKDRFNHKSA-N 1 2 247.342 1.738 20 0 BDADLO CC[C@@H](C[NH2+][C@@](C)(CC)C(=O)OC)OC ZINC000419225216 192107175 /nfs/dbraw/zinc/10/71/75/192107175.db2.gz GUAVGYHTUMGLON-ONGXEEELSA-N 1 2 217.309 1.343 20 0 BDADLO CCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590732724 347500600 /nfs/dbraw/zinc/50/06/00/347500600.db2.gz OTNRLMZIWJLXBD-LLVKDONJSA-N 1 2 221.304 1.847 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000616977439 347558977 /nfs/dbraw/zinc/55/89/77/347558977.db2.gz DTDICVRLPZRJID-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cocn1 ZINC000591170677 347628329 /nfs/dbraw/zinc/62/83/29/347628329.db2.gz YCVXGCCAWYATRW-UHFFFAOYSA-N 1 2 219.200 1.331 20 0 BDADLO CC[C@@H](C[NH2+][C@](C)(CC)C(=O)OC)OC ZINC000419225212 192107622 /nfs/dbraw/zinc/10/76/22/192107622.db2.gz GUAVGYHTUMGLON-GXSJLCMTSA-N 1 2 217.309 1.343 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](C(=O)OC)C2)nc[nH+]1 ZINC000591195722 347629459 /nfs/dbraw/zinc/62/94/59/347629459.db2.gz JHGJQUTYJLFDSK-WAAGHKOSSA-N 1 2 235.287 1.403 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1cnn(C)n1 ZINC000290080047 179268656 /nfs/dbraw/zinc/26/86/56/179268656.db2.gz UYNFKSFSWJNSLP-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1cnn(C)n1 ZINC000290080047 179268659 /nfs/dbraw/zinc/26/86/59/179268659.db2.gz UYNFKSFSWJNSLP-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccco1 ZINC000066564454 347766328 /nfs/dbraw/zinc/76/63/28/347766328.db2.gz ZVKPSVBVHVCUHZ-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000066564454 347766331 /nfs/dbraw/zinc/76/63/31/347766331.db2.gz ZVKPSVBVHVCUHZ-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000592365513 347775012 /nfs/dbraw/zinc/77/50/12/347775012.db2.gz WCBQUWBMNHCPEP-OUAUKWLOSA-N 1 2 243.347 1.874 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000360374444 187380689 /nfs/dbraw/zinc/38/06/89/187380689.db2.gz UQXQHCBMWUKDBT-NXEZZACHSA-N 1 2 239.294 1.360 20 0 BDADLO Cc1nc(N(C)Cc2ccncc2)cc[nH+]1 ZINC000360223729 187380780 /nfs/dbraw/zinc/38/07/80/187380780.db2.gz AMOINERYYDZSJB-UHFFFAOYSA-N 1 2 214.272 1.816 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]C1CSC1 ZINC000592524791 347795072 /nfs/dbraw/zinc/79/50/72/347795072.db2.gz DBBAGPQDSAQPEY-SECBINFHSA-N 1 2 231.361 1.669 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)COCC1CC1)C(=O)OC ZINC000593182810 347869163 /nfs/dbraw/zinc/86/91/63/347869163.db2.gz FWQLHVCPRILJDV-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(C)CCOCC1 ZINC000593277725 347877645 /nfs/dbraw/zinc/87/76/45/347877645.db2.gz LMIJALVSLJCQGV-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO O=[S@]1C[C@@H]2C[C@H]1CN2c1cc[nH+]c(C2CC2)n1 ZINC000593511190 347902229 /nfs/dbraw/zinc/90/22/29/347902229.db2.gz VHPADDDCDRKZHX-YMNVWFMLSA-N 1 2 249.339 1.064 20 0 BDADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1nnc[nH]1 ZINC000037919255 179321062 /nfs/dbraw/zinc/32/10/62/179321062.db2.gz GYMAFRWTEZRPKR-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO CC(C)C[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000360939168 187382748 /nfs/dbraw/zinc/38/27/48/187382748.db2.gz AMNJYHPMSMWEPI-SECBINFHSA-N 1 2 222.288 1.830 20 0 BDADLO COC[C@H](CC(C)(C)C)[NH2+][C@H](C)C(=O)OC ZINC000593621315 347916783 /nfs/dbraw/zinc/91/67/83/347916783.db2.gz INZXXZYTQVVJCC-ZJUUUORDSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1ncsc1NC(=O)Cc1c[nH+]cn1C ZINC000577407277 365948735 /nfs/dbraw/zinc/94/87/35/365948735.db2.gz PJMJSLDEGXMLOH-UHFFFAOYSA-N 1 2 236.300 1.366 20 0 BDADLO Cc1nc(C[NH2+][C@@H](CO)c2ccccc2)[nH]c1C ZINC000577412515 365950380 /nfs/dbraw/zinc/95/03/80/365950380.db2.gz RWZBFXUEETWARI-ZDUSSCGKSA-N 1 2 245.326 1.850 20 0 BDADLO Cc1[nH]c(CN[C@@H](CO)c2ccccc2)[nH+]c1C ZINC000577412515 365950385 /nfs/dbraw/zinc/95/03/85/365950385.db2.gz RWZBFXUEETWARI-ZDUSSCGKSA-N 1 2 245.326 1.850 20 0 BDADLO CC1(C)SC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000577432318 365953242 /nfs/dbraw/zinc/95/32/42/365953242.db2.gz VOBFGWIRRVSWPC-MRVPVSSYSA-N 1 2 239.344 1.353 20 0 BDADLO CC[C@@](C)(CNc1nc[nH+]c(N)c1OC)OC ZINC000323255093 347985158 /nfs/dbraw/zinc/98/51/58/347985158.db2.gz UUZYTTGRSAYTBA-NSHDSACASA-N 1 2 240.307 1.294 20 0 BDADLO CC[C@@](C)(CNc1[nH+]cnc(N)c1OC)OC ZINC000323255093 347985161 /nfs/dbraw/zinc/98/51/61/347985161.db2.gz UUZYTTGRSAYTBA-NSHDSACASA-N 1 2 240.307 1.294 20 0 BDADLO c1nc2cc(C[NH2+]Cc3cocn3)ccc2[nH]1 ZINC000594061379 347996305 /nfs/dbraw/zinc/99/63/05/347996305.db2.gz OQGBBBQEEAATHW-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO c1nc2ccc(C[NH2+]Cc3cocn3)cc2[nH]1 ZINC000594061379 347996309 /nfs/dbraw/zinc/99/63/09/347996309.db2.gz OQGBBBQEEAATHW-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1CCCOCC1 ZINC000361746904 187383763 /nfs/dbraw/zinc/38/37/63/187383763.db2.gz XLYCIAUJOCOAHJ-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1CCCOCC1 ZINC000361746904 187383766 /nfs/dbraw/zinc/38/37/66/187383766.db2.gz XLYCIAUJOCOAHJ-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCCC[C@@H]([NH2+]CC1(COC)CC1)C(=O)OC ZINC000594551740 348068428 /nfs/dbraw/zinc/06/84/28/348068428.db2.gz CXMZHWLXQIMYQJ-LLVKDONJSA-N 1 2 243.347 1.734 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)SC ZINC000594367033 348043000 /nfs/dbraw/zinc/04/30/00/348043000.db2.gz MESRQMUCYSTTTG-QMMMGPOBSA-N 1 2 227.333 1.271 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CCCC3)[nH+]c12 ZINC000041291904 179355874 /nfs/dbraw/zinc/35/58/74/179355874.db2.gz JORSPQVBIAIEGW-UHFFFAOYSA-N 1 2 243.310 1.808 20 0 BDADLO Cc1cccn2cc(CC(=O)NC3CCC3)[nH+]c12 ZINC000334150154 179356318 /nfs/dbraw/zinc/35/63/18/179356318.db2.gz IOMBCGDXWCLHDH-UHFFFAOYSA-N 1 2 243.310 1.854 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cnccc1C)C1CC1 ZINC000594711024 348104223 /nfs/dbraw/zinc/10/42/23/348104223.db2.gz LDUJYJOSLNAJEQ-CYBMUJFWSA-N 1 2 248.326 1.474 20 0 BDADLO Cc1cccn2cc(CNC(=O)N(C)C)[nH+]c12 ZINC000110798448 179357396 /nfs/dbraw/zinc/35/73/96/179357396.db2.gz KBANBUSLBYTYSW-UHFFFAOYSA-N 1 2 232.287 1.414 20 0 BDADLO Cc1cccn2c(CN3CCO[C@H]4C[C@H]43)c[nH+]c12 ZINC000366558473 179355090 /nfs/dbraw/zinc/35/50/90/179355090.db2.gz LLNRIRILDOLNRV-OLZOCXBDSA-N 1 2 243.310 1.616 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000304112532 187388077 /nfs/dbraw/zinc/38/80/77/187388077.db2.gz MXEYADJTWPRPSD-QWRGUYRKSA-N 1 2 239.319 1.503 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000304112532 187388079 /nfs/dbraw/zinc/38/80/79/187388079.db2.gz MXEYADJTWPRPSD-QWRGUYRKSA-N 1 2 239.319 1.503 20 0 BDADLO CC(C)Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000374713854 187388269 /nfs/dbraw/zinc/38/82/69/187388269.db2.gz WVZNXGCPZDWMIN-OKILXGFUSA-N 1 2 249.358 1.902 20 0 BDADLO CC(C)Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000374713854 187388271 /nfs/dbraw/zinc/38/82/71/187388271.db2.gz WVZNXGCPZDWMIN-OKILXGFUSA-N 1 2 249.358 1.902 20 0 BDADLO c1snnc1C[NH2+]CCOC1CCCCC1 ZINC000082627257 348188605 /nfs/dbraw/zinc/18/86/05/348188605.db2.gz BXKATHSIENDGEK-UHFFFAOYSA-N 1 2 241.360 1.977 20 0 BDADLO Cc1cccnc1C[N@H+](C)Cc1cnccn1 ZINC000093179217 179371197 /nfs/dbraw/zinc/37/11/97/179371197.db2.gz QHKAEPRPDJGMMN-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cccnc1C[N@@H+](C)Cc1cnccn1 ZINC000093179217 179371199 /nfs/dbraw/zinc/37/11/99/179371199.db2.gz QHKAEPRPDJGMMN-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000375779147 187389355 /nfs/dbraw/zinc/38/93/55/187389355.db2.gz WHDWLWIGANFTEW-LLVKDONJSA-N 1 2 233.315 1.589 20 0 BDADLO CC[C@@](COC)([NH2+]CCC1CCC1)C(=O)OC ZINC000595529484 348272596 /nfs/dbraw/zinc/27/25/96/348272596.db2.gz IVVSKTADDYOJGT-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO C(c1noc2c1CCCC2)[N@@H+]1CCCOCC1 ZINC000595557707 348280638 /nfs/dbraw/zinc/28/06/38/348280638.db2.gz KJVDOYZEGRRQOU-UHFFFAOYSA-N 1 2 236.315 1.776 20 0 BDADLO C(c1noc2c1CCCC2)[N@H+]1CCCOCC1 ZINC000595557707 348280640 /nfs/dbraw/zinc/28/06/40/348280640.db2.gz KJVDOYZEGRRQOU-UHFFFAOYSA-N 1 2 236.315 1.776 20 0 BDADLO CS[C@@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000595567759 348283831 /nfs/dbraw/zinc/28/38/31/348283831.db2.gz LHOMYSZCQHNFSE-QMMMGPOBSA-N 1 2 242.348 1.303 20 0 BDADLO CS[C@@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000595567759 348283835 /nfs/dbraw/zinc/28/38/35/348283835.db2.gz LHOMYSZCQHNFSE-QMMMGPOBSA-N 1 2 242.348 1.303 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1ccncc1 ZINC000595678035 348310222 /nfs/dbraw/zinc/31/02/22/348310222.db2.gz PEWDDLQFWQXNHT-UHFFFAOYSA-N 1 2 246.310 1.262 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCc1ccncc1 ZINC000595678035 348310224 /nfs/dbraw/zinc/31/02/24/348310224.db2.gz PEWDDLQFWQXNHT-UHFFFAOYSA-N 1 2 246.310 1.262 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)Cc1c[nH+]cn1C ZINC000563873856 323182134 /nfs/dbraw/zinc/18/21/34/323182134.db2.gz YRDCNRRZQTXICQ-LLVKDONJSA-N 1 2 237.347 1.857 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCCF ZINC000595775175 348338140 /nfs/dbraw/zinc/33/81/40/348338140.db2.gz JXDAWQICGWZABV-VIFPVBQESA-N 1 2 209.236 1.227 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](CO)C1)c1ccccc1F ZINC000162132183 362893587 /nfs/dbraw/zinc/89/35/87/362893587.db2.gz CTOYQNAUOPCAEK-SNVBAGLBSA-N 1 2 237.274 1.323 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](CO)C1)c1ccccc1F ZINC000162132183 362893592 /nfs/dbraw/zinc/89/35/92/362893592.db2.gz CTOYQNAUOPCAEK-SNVBAGLBSA-N 1 2 237.274 1.323 20 0 BDADLO COC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595832931 348366593 /nfs/dbraw/zinc/36/65/93/348366593.db2.gz KIOBTOLXAOSUFH-UHFFFAOYSA-N 1 2 224.260 1.027 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000595833732 348367366 /nfs/dbraw/zinc/36/73/66/348367366.db2.gz LLIVEXLSYLWBGD-VIFPVBQESA-N 1 2 238.287 1.416 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C[C@H]1C(C)C)C1CC1 ZINC000419334858 192124617 /nfs/dbraw/zinc/12/46/17/192124617.db2.gz UHOHIPNXYNJHIL-AXFHLTTASA-N 1 2 211.305 1.572 20 0 BDADLO CC[C@@H]([NH2+]CCCc1ccco1)C(=O)OC ZINC000596045305 348428680 /nfs/dbraw/zinc/42/86/80/348428680.db2.gz BOIVGUBCTSVVBN-LLVKDONJSA-N 1 2 225.288 1.753 20 0 BDADLO Cc1cc(N2C[C@H](C)C[C@H](CO)C2)nc[nH+]1 ZINC000398624263 323187324 /nfs/dbraw/zinc/18/73/24/323187324.db2.gz LJYDMDKBKAZHDL-KOLCDFICSA-N 1 2 221.304 1.240 20 0 BDADLO COC(=O)C1(COc2cc[nH+]cc2)CC1 ZINC000596274552 348493994 /nfs/dbraw/zinc/49/39/94/348493994.db2.gz UBRIVNVHNAAXCH-UHFFFAOYSA-N 1 2 207.229 1.414 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000402175434 349993776 /nfs/dbraw/zinc/99/37/76/349993776.db2.gz YCGGMFUPLJVHLL-UTLUCORTSA-N 1 2 229.320 1.484 20 0 BDADLO COC(=O)[C@@H](C)N(C)c1[nH+]ccc2[nH]ccc21 ZINC000596216916 348468660 /nfs/dbraw/zinc/46/86/60/348468660.db2.gz HOMLHMXCTQMXRY-MRVPVSSYSA-N 1 2 233.271 1.561 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](C(=O)OC)C2)nc[nH+]1 ZINC000596555225 348577887 /nfs/dbraw/zinc/57/78/87/348577887.db2.gz JHGJQUTYJLFDSK-CZMCAQCFSA-N 1 2 235.287 1.403 20 0 BDADLO CCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000308786316 348590175 /nfs/dbraw/zinc/59/01/75/348590175.db2.gz FSKCWWBHAKINKE-MRVPVSSYSA-N 1 2 207.277 1.777 20 0 BDADLO COC(=O)c1sc(-n2cc[nH+]c2)nc1Cl ZINC000037473446 348618334 /nfs/dbraw/zinc/61/83/34/348618334.db2.gz POCZCAUDRPDXBZ-UHFFFAOYSA-N 1 2 243.675 1.769 20 0 BDADLO COC(=O)C[NH+]1CCC(OC(C)C)CC1 ZINC000531402344 348626468 /nfs/dbraw/zinc/62/64/68/348626468.db2.gz JPDGPUMCKMXEIE-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccnc(C)c1 ZINC000598586445 348996035 /nfs/dbraw/zinc/99/60/35/348996035.db2.gz VFIJXLPHYFYZJL-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccnc(C)c1 ZINC000598586445 348996036 /nfs/dbraw/zinc/99/60/36/348996036.db2.gz VFIJXLPHYFYZJL-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccnc(C)c1 ZINC000598611294 348999855 /nfs/dbraw/zinc/99/98/55/348999855.db2.gz LMHOJPNRDSTJOR-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccnc(C)c1 ZINC000598611294 348999857 /nfs/dbraw/zinc/99/98/57/348999857.db2.gz LMHOJPNRDSTJOR-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OCC ZINC000401986028 349038236 /nfs/dbraw/zinc/03/82/36/349038236.db2.gz BTDIQBYLZVYHGO-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@]12C[C@H]1CCC2 ZINC000421789083 192382192 /nfs/dbraw/zinc/38/21/92/192382192.db2.gz ZHQOWHYXVHFSIJ-TZMCWYRMSA-N 1 2 247.342 1.922 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942424 349062582 /nfs/dbraw/zinc/06/25/82/349062582.db2.gz AGWIVGXIPPZGHH-WCBMZHEXSA-N 1 2 239.344 1.066 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944248 349062898 /nfs/dbraw/zinc/06/28/98/349062898.db2.gz LAEVZAMJEYTHAS-DTWKUNHWSA-N 1 2 239.344 1.066 20 0 BDADLO CCO[C@@H](C[NH2+][C@H](C(=O)OC)C1CC1)C1CC1 ZINC000599378973 349163210 /nfs/dbraw/zinc/16/32/10/349163210.db2.gz VQEMNBZUFDHORT-RYUDHWBXSA-N 1 2 241.331 1.343 20 0 BDADLO CCc1cc(N)nc(SC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000421836910 192390971 /nfs/dbraw/zinc/39/09/71/192390971.db2.gz ICBKPKQTMAIDES-OTSSQURYSA-N 1 2 239.344 1.315 20 0 BDADLO COC(=O)CCCC[N@H+](C)Cc1noc(C)n1 ZINC000599353782 349164612 /nfs/dbraw/zinc/16/46/12/349164612.db2.gz PWVMOLKSPWIAHO-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO COC(=O)CCCC[N@@H+](C)Cc1noc(C)n1 ZINC000599353782 349164614 /nfs/dbraw/zinc/16/46/14/349164614.db2.gz PWVMOLKSPWIAHO-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO CC[C@](COC)([NH2+]C[C@H]1C[C@@H]1C)C(=O)OC ZINC000599437270 349175900 /nfs/dbraw/zinc/17/59/00/349175900.db2.gz MSBZNXZPPKMLEH-HOSYDEDBSA-N 1 2 229.320 1.200 20 0 BDADLO CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)OC ZINC000599625621 349230739 /nfs/dbraw/zinc/23/07/39/349230739.db2.gz NUSSMMXDQSOUKM-SSRBZLIGSA-N 1 2 229.320 1.340 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](CC(F)F)[C@H]2CCC[C@@H]21 ZINC000599653849 349234503 /nfs/dbraw/zinc/23/45/03/349234503.db2.gz HLSXCTQOLFUZAN-BBBLOLIVSA-N 1 2 247.285 1.915 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](CC(F)F)[C@H]2CCC[C@@H]21 ZINC000599653849 349234506 /nfs/dbraw/zinc/23/45/06/349234506.db2.gz HLSXCTQOLFUZAN-BBBLOLIVSA-N 1 2 247.285 1.915 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC000600105361 349291627 /nfs/dbraw/zinc/29/16/27/349291627.db2.gz NBMVWQAXKIZFLU-SNVBAGLBSA-N 1 2 224.260 1.120 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C)o1 ZINC000600105361 349291628 /nfs/dbraw/zinc/29/16/28/349291628.db2.gz NBMVWQAXKIZFLU-SNVBAGLBSA-N 1 2 224.260 1.120 20 0 BDADLO CCCN(CC(=O)OC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600105843 349292635 /nfs/dbraw/zinc/29/26/35/349292635.db2.gz CZOOLSJMZBRHRX-UHFFFAOYSA-N 1 2 239.319 1.412 20 0 BDADLO CSC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000601688648 349323429 /nfs/dbraw/zinc/32/34/29/349323429.db2.gz BLTMGVBUSPXXPH-UHFFFAOYSA-N 1 2 239.344 1.237 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cscn1 ZINC000161153976 349394340 /nfs/dbraw/zinc/39/43/40/349394340.db2.gz QRMPGHNDYDXZGD-BDAKNGLRSA-N 1 2 239.344 1.462 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cscn1 ZINC000161153885 349394347 /nfs/dbraw/zinc/39/43/47/349394347.db2.gz QRMPGHNDYDXZGD-IUCAKERBSA-N 1 2 239.344 1.462 20 0 BDADLO Cc1ccc(F)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000053001700 190998863 /nfs/dbraw/zinc/99/88/63/190998863.db2.gz JBDPMKHUGOCXDV-UHFFFAOYSA-N 1 2 236.290 1.522 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cocn2)n1C ZINC000602003143 349411721 /nfs/dbraw/zinc/41/17/21/349411721.db2.gz ROUULXLJAILEDN-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO CCc1cc(N[C@@H]2CCN(C(C)C)C2=O)nc[nH+]1 ZINC000604045153 350072988 /nfs/dbraw/zinc/07/29/88/350072988.db2.gz QEJMKDPLQBRQCP-LLVKDONJSA-N 1 2 248.330 1.460 20 0 BDADLO Cc1noc(C)c1[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000603801586 350035211 /nfs/dbraw/zinc/03/52/11/350035211.db2.gz ZVXVILSILLDLLT-SSDOTTSWSA-N 1 2 248.286 1.434 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCOC1 ZINC000603809128 350036922 /nfs/dbraw/zinc/03/69/22/350036922.db2.gz OWDWUWCSATUHER-SECBINFHSA-N 1 2 231.255 1.309 20 0 BDADLO CC(F)(F)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000603870780 350047048 /nfs/dbraw/zinc/04/70/48/350047048.db2.gz SAGRUYGFZPCIKS-UHFFFAOYSA-N 1 2 217.219 1.461 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccon3)C2)[nH]1 ZINC000268490221 180042438 /nfs/dbraw/zinc/04/24/38/180042438.db2.gz PXOVXZWHARFMRC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccon3)C2)[nH]1 ZINC000268490221 180042439 /nfs/dbraw/zinc/04/24/39/180042439.db2.gz PXOVXZWHARFMRC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccon3)C2)n1 ZINC000268490221 180042440 /nfs/dbraw/zinc/04/24/40/180042440.db2.gz PXOVXZWHARFMRC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccon3)C2)n1 ZINC000268490221 180042441 /nfs/dbraw/zinc/04/24/41/180042441.db2.gz PXOVXZWHARFMRC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccon3)C2)n[nH]1 ZINC000268490221 180042442 /nfs/dbraw/zinc/04/24/42/180042442.db2.gz PXOVXZWHARFMRC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccon3)C2)n[nH]1 ZINC000268490221 180042443 /nfs/dbraw/zinc/04/24/43/180042443.db2.gz PXOVXZWHARFMRC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CC3CCC3)CCO2)no1 ZINC000329711213 180045981 /nfs/dbraw/zinc/04/59/81/180045981.db2.gz OHZHGWHTRZUSKC-NSHDSACASA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CC3CCC3)CCO2)no1 ZINC000329711213 180045984 /nfs/dbraw/zinc/04/59/84/180045984.db2.gz OHZHGWHTRZUSKC-NSHDSACASA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccon3)C2)[nH]1 ZINC000268490219 180053984 /nfs/dbraw/zinc/05/39/84/180053984.db2.gz PXOVXZWHARFMRC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccon3)C2)[nH]1 ZINC000268490219 180053986 /nfs/dbraw/zinc/05/39/86/180053986.db2.gz PXOVXZWHARFMRC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccon3)C2)n1 ZINC000268490219 180053988 /nfs/dbraw/zinc/05/39/88/180053988.db2.gz PXOVXZWHARFMRC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccon3)C2)n1 ZINC000268490219 180053990 /nfs/dbraw/zinc/05/39/90/180053990.db2.gz PXOVXZWHARFMRC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccon3)C2)n[nH]1 ZINC000268490219 180053992 /nfs/dbraw/zinc/05/39/92/180053992.db2.gz PXOVXZWHARFMRC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccon3)C2)n[nH]1 ZINC000268490219 180053994 /nfs/dbraw/zinc/05/39/94/180053994.db2.gz PXOVXZWHARFMRC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)[C@@H]2CCOC2)[nH+]1 ZINC000359299919 180060021 /nfs/dbraw/zinc/06/00/21/180060021.db2.gz RHSMEUADUNCOCY-PSASIEDQSA-N 1 2 246.314 1.525 20 0 BDADLO Cc1nc(N2CC(CO)C2)c2c([nH+]1)CCCC2 ZINC000182583825 180067930 /nfs/dbraw/zinc/06/79/30/180067930.db2.gz QYOGNIJENGWDGA-UHFFFAOYSA-N 1 2 233.315 1.092 20 0 BDADLO Cc1nc(N(C)CCCCO)c2c([nH+]1)CCCC2 ZINC000276167450 180068804 /nfs/dbraw/zinc/06/88/04/180068804.db2.gz CGHQIOJYMDDVQS-UHFFFAOYSA-N 1 2 249.358 1.873 20 0 BDADLO Cc1nc(N[C@@H](C)CCO)c2c([nH+]1)CCCC2 ZINC000272714163 180069536 /nfs/dbraw/zinc/06/95/36/180069536.db2.gz ACRVNCJELDDACR-VIFPVBQESA-N 1 2 235.331 1.847 20 0 BDADLO CCc1nc(C[NH2+][C@@](C)(CC)C(N)=O)cs1 ZINC000133391755 191040149 /nfs/dbraw/zinc/04/01/49/191040149.db2.gz XURVPZRWVWXUFF-NSHDSACASA-N 1 2 241.360 1.449 20 0 BDADLO Cc1nc2n(n1)C[C@H](Nc1cccc[nH+]1)CC2 ZINC000263861049 180113872 /nfs/dbraw/zinc/11/38/72/180113872.db2.gz AMUCORORPKEARI-SNVBAGLBSA-N 1 2 229.287 1.408 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)CF ZINC000288022233 180103796 /nfs/dbraw/zinc/10/37/96/180103796.db2.gz BVELFHFWMFWWDC-SECBINFHSA-N 1 2 249.289 1.819 20 0 BDADLO Cc1[nH+]c2ccccc2n1CCNC(=O)C1CC1 ZINC000008135451 180104114 /nfs/dbraw/zinc/10/41/14/180104114.db2.gz IZJKZFXIPJBEMY-UHFFFAOYSA-N 1 2 243.310 1.871 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)CC(F)(F)F)c[nH+]1 ZINC000362060013 180132143 /nfs/dbraw/zinc/13/21/43/180132143.db2.gz UQANMLCJKQQAFP-YFKPBYRVSA-N 1 2 235.209 1.789 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000336576219 180118689 /nfs/dbraw/zinc/11/86/89/180118689.db2.gz SRJBPEDJZJMJAP-DDFAGTSDSA-N 1 2 233.315 1.771 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccoc1C ZINC000343265288 180118899 /nfs/dbraw/zinc/11/88/99/180118899.db2.gz BELHXWQQPAPHKP-UHFFFAOYSA-N 1 2 247.298 1.821 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cncc(F)c1 ZINC000336312285 180121654 /nfs/dbraw/zinc/12/16/54/180121654.db2.gz JGYWTORDRUZKIO-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO Cc1[nH]c(C(=O)NC2C(C)(C)C2(C)C)c[nH+]1 ZINC000339265393 180128463 /nfs/dbraw/zinc/12/84/63/180128463.db2.gz PIYSKBFECIUNQQ-UHFFFAOYSA-N 1 2 221.304 1.883 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2nncn2C)s1 ZINC000037797346 180157807 /nfs/dbraw/zinc/15/78/07/180157807.db2.gz OROCNUITDYYGLH-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1cc(NC[C@@](C)(O)C2CC2)nc(C2CC2)[nH+]1 ZINC000604756477 350187694 /nfs/dbraw/zinc/18/76/94/350187694.db2.gz HOPLTYVGDWZWNP-CQSZACIVSA-N 1 2 247.342 1.657 20 0 BDADLO CC(=O)N1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC000428460939 191077096 /nfs/dbraw/zinc/07/70/96/191077096.db2.gz LJXUHLMPZKFFAW-LLVKDONJSA-N 1 2 248.330 1.010 20 0 BDADLO Cc1nc(NCCS(=O)(=O)C(C)C)cc[nH+]1 ZINC000289156842 180198125 /nfs/dbraw/zinc/19/81/25/180198125.db2.gz UDGNVJCSHFJUMQ-UHFFFAOYSA-N 1 2 243.332 1.020 20 0 BDADLO Cc1ccn2cc(CNCc3cocn3)[nH+]c2c1 ZINC000428845606 191078456 /nfs/dbraw/zinc/07/84/56/191078456.db2.gz LNRQQZJYLKSMEH-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1nc(NC[C@@H]2CCCCO2)cc[nH+]1 ZINC000054936322 180200366 /nfs/dbraw/zinc/20/03/66/180200366.db2.gz AIJSPTMLOJRCJD-JTQLQIEISA-N 1 2 207.277 1.766 20 0 BDADLO Cc1nc(NCCc2ccccn2)cc[nH+]1 ZINC000054935609 180201253 /nfs/dbraw/zinc/20/12/53/180201253.db2.gz CPAVDYQHGHQOBC-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO Cc1nc(NCc2ccn(C)n2)cc[nH+]1 ZINC000124820230 180202621 /nfs/dbraw/zinc/20/26/21/180202621.db2.gz QUCMCJWZTLOYLB-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(N[C@H]2CCC(=O)N[C@@H]2C2CC2)cc[nH+]1 ZINC000376487404 180205375 /nfs/dbraw/zinc/20/53/75/180205375.db2.gz WCRXQYTUQWSVAT-GXFFZTMASA-N 1 2 246.314 1.254 20 0 BDADLO Cc1nc(N[C@H](CO)C2CCCC2)cc[nH+]1 ZINC000290685003 180206239 /nfs/dbraw/zinc/20/62/39/180206239.db2.gz JBJDYRIRKWDEQM-LLVKDONJSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](O)C2(C)C)cc[nH+]1 ZINC000168301743 180207457 /nfs/dbraw/zinc/20/74/57/180207457.db2.gz JMBXWBNXHRJXQM-DTWKUNHWSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1nc(N[C@H]2c3ccccc3C[C@@H]2O)cc[nH+]1 ZINC000080572353 180207631 /nfs/dbraw/zinc/20/76/31/180207631.db2.gz XXISSSYNCOSLQS-JSGCOSHPSA-N 1 2 241.294 1.855 20 0 BDADLO Cc1nccc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC000266183287 180208289 /nfs/dbraw/zinc/20/82/89/180208289.db2.gz VVUGWDDXGBMNRD-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO Cc1nc(NCCC2CCOCC2)cc[nH+]1 ZINC000336679049 180180419 /nfs/dbraw/zinc/18/04/19/180180419.db2.gz WZINBTXJKGRJLD-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1ncccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264571719 180213780 /nfs/dbraw/zinc/21/37/80/180213780.db2.gz UOPJXPFNKKSCNJ-JTQLQIEISA-N 1 2 244.298 1.405 20 0 BDADLO Cc1[nH+]cccc1NCc1csnn1 ZINC000085726684 180226388 /nfs/dbraw/zinc/22/63/88/180226388.db2.gz CVNQFZIHEZHYPL-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO Cc1ncccc1OCc1c[nH+]cn1C ZINC000272788035 180228431 /nfs/dbraw/zinc/22/84/31/180228431.db2.gz BQDGJVULLOTBRV-UHFFFAOYSA-N 1 2 203.245 1.703 20 0 BDADLO CCOCCN1CC[NH+](CC2(F)CC2)CC1 ZINC000526969702 323309285 /nfs/dbraw/zinc/30/92/85/323309285.db2.gz PCTRGXIVCXLYAB-UHFFFAOYSA-N 1 2 230.327 1.143 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1ccn(C)n1 ZINC000336662869 180312694 /nfs/dbraw/zinc/31/26/94/180312694.db2.gz CXEWZHVPKGNUAN-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1ccn(C)n1 ZINC000336662869 180312695 /nfs/dbraw/zinc/31/26/95/180312695.db2.gz CXEWZHVPKGNUAN-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CC[C@H](NC(C)=O)C(=O)Nc1c(C)cc[nH+]c1C ZINC000637243626 350342281 /nfs/dbraw/zinc/34/22/81/350342281.db2.gz VWOYIXVBBHCTMK-NSHDSACASA-N 1 2 249.314 1.552 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1nccs1 ZINC000335165366 538090156 /nfs/dbraw/zinc/09/01/56/538090156.db2.gz KVLXQVMBOCEGIV-UHFFFAOYSA-N 1 2 237.288 1.198 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccccc1F ZINC000335199397 538091512 /nfs/dbraw/zinc/09/15/12/538091512.db2.gz MHKGAENZJRXTPI-UHFFFAOYSA-N 1 2 233.246 1.489 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000617215869 350386177 /nfs/dbraw/zinc/38/61/77/350386177.db2.gz KKPKFUOQJJHUBN-MJVIPROJSA-N 1 2 245.326 1.504 20 0 BDADLO CC[N@H+](Cc1ncc(C)cn1)[C@@H]1CCOC1 ZINC000336677775 350439374 /nfs/dbraw/zinc/43/93/74/350439374.db2.gz WGNRZLZHSNRTED-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC[N@@H+](Cc1ncc(C)cn1)[C@@H]1CCOC1 ZINC000336677775 350439378 /nfs/dbraw/zinc/43/93/78/350439378.db2.gz WGNRZLZHSNRTED-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CCn1ccnc1C[N@H+](CC)[C@H]1CCOC1 ZINC000336669097 350432976 /nfs/dbraw/zinc/43/29/76/350432976.db2.gz REVBMQLIBIYFAP-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@@H+](CC)[C@H]1CCOC1 ZINC000336669097 350432979 /nfs/dbraw/zinc/43/29/79/350432979.db2.gz REVBMQLIBIYFAP-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C)n(C)n1 ZINC000336714024 350465658 /nfs/dbraw/zinc/46/56/58/350465658.db2.gz PPJLMEXKFXYUQM-UHFFFAOYSA-N 1 2 247.346 1.484 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C)n(C)n1 ZINC000336714024 350465663 /nfs/dbraw/zinc/46/56/63/350465663.db2.gz PPJLMEXKFXYUQM-UHFFFAOYSA-N 1 2 247.346 1.484 20 0 BDADLO CCc1nc(C[N@H+](C[C@H](C)OC)C(C)C)no1 ZINC000336715586 350470201 /nfs/dbraw/zinc/47/02/01/350470201.db2.gz ULPDJORBMFZYMF-JTQLQIEISA-N 1 2 241.335 1.877 20 0 BDADLO CCc1nc(C[N@@H+](C[C@H](C)OC)C(C)C)no1 ZINC000336715586 350470205 /nfs/dbraw/zinc/47/02/05/350470205.db2.gz ULPDJORBMFZYMF-JTQLQIEISA-N 1 2 241.335 1.877 20 0 BDADLO CC(C)[C@@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428001699 191105293 /nfs/dbraw/zinc/10/52/93/191105293.db2.gz RWQNNQZORVTBSR-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427992747 191105379 /nfs/dbraw/zinc/10/53/79/191105379.db2.gz MTTDXDJKRHQXQP-SNVBAGLBSA-N 1 2 221.304 1.504 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCSC)C(C)(C)C ZINC000089920835 362964860 /nfs/dbraw/zinc/96/48/60/362964860.db2.gz LRSATOGUUPANIV-MRVPVSSYSA-N 1 2 219.350 1.527 20 0 BDADLO CSCC[N@H+](C)Cc1nnnn1C(C)C ZINC000152517903 191114653 /nfs/dbraw/zinc/11/46/53/191114653.db2.gz HSEMOYKUHKZQMN-UHFFFAOYSA-N 1 2 229.353 1.049 20 0 BDADLO CSCC[N@@H+](C)Cc1nnnn1C(C)C ZINC000152517903 191114655 /nfs/dbraw/zinc/11/46/55/191114655.db2.gz HSEMOYKUHKZQMN-UHFFFAOYSA-N 1 2 229.353 1.049 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2C[C@H]2CCC=CO2)no1 ZINC000365797502 350612833 /nfs/dbraw/zinc/61/28/33/350612833.db2.gz SLNOOAGRYKAWEK-GHMZBOCLSA-N 1 2 235.287 1.899 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2C[C@H]2CCC=CO2)no1 ZINC000365797502 350612836 /nfs/dbraw/zinc/61/28/36/350612836.db2.gz SLNOOAGRYKAWEK-GHMZBOCLSA-N 1 2 235.287 1.899 20 0 BDADLO Cc1ncc(C[NH2+]Cc2nccs2)o1 ZINC000397959497 362973723 /nfs/dbraw/zinc/97/37/23/362973723.db2.gz UGLXILDFATWUFX-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO C/C=C/CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000637484287 350643926 /nfs/dbraw/zinc/64/39/26/350643926.db2.gz DUGNLEPPUNQFEQ-NSCUHMNNSA-N 1 2 248.330 1.875 20 0 BDADLO C/C=C/CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000637484287 350643928 /nfs/dbraw/zinc/64/39/28/350643928.db2.gz DUGNLEPPUNQFEQ-NSCUHMNNSA-N 1 2 248.330 1.875 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936937 350629648 /nfs/dbraw/zinc/62/96/48/350629648.db2.gz SHWTVSZEZQYDFA-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936937 350629652 /nfs/dbraw/zinc/62/96/52/350629652.db2.gz SHWTVSZEZQYDFA-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1cnn(C)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000617277763 350664356 /nfs/dbraw/zinc/66/43/56/350664356.db2.gz PTJBMZHCBUKGAC-JTQLQIEISA-N 1 2 247.302 1.515 20 0 BDADLO Cc1cccc2[nH+]c(CN3CCOC[C@@H]3C)cn21 ZINC000051687588 350762670 /nfs/dbraw/zinc/76/26/70/350762670.db2.gz HRYNJUYXXPFSKK-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cn1cc[nH+]c1CSc1nncs1 ZINC000248139972 187468696 /nfs/dbraw/zinc/46/86/96/187468696.db2.gz PWAPDAHKVVJILK-UHFFFAOYSA-N 1 2 212.303 1.564 20 0 BDADLO CC[C@@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000339219929 350741650 /nfs/dbraw/zinc/74/16/50/350741650.db2.gz LKPHUYXGZKHOGT-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000339219929 350741652 /nfs/dbraw/zinc/74/16/52/350741652.db2.gz LKPHUYXGZKHOGT-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)[C@@H](C)CO ZINC000339630526 350770402 /nfs/dbraw/zinc/77/04/02/350770402.db2.gz VNYWIXRLWNEKLC-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)[C@@H](C)CO ZINC000339630526 350770404 /nfs/dbraw/zinc/77/04/04/350770404.db2.gz VNYWIXRLWNEKLC-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO Cc1[nH]c(CN2C[C@@H]3C[C@H]2CS3)[nH+]c1C ZINC000628309838 350785863 /nfs/dbraw/zinc/78/58/63/350785863.db2.gz WQBPCTWUXCRNME-UWVGGRQHSA-N 1 2 223.345 1.716 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)[nH]c1C ZINC000628309838 350785867 /nfs/dbraw/zinc/78/58/67/350785867.db2.gz WQBPCTWUXCRNME-UWVGGRQHSA-N 1 2 223.345 1.716 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H]2CS3)[nH]c1C ZINC000628309838 350785871 /nfs/dbraw/zinc/78/58/71/350785871.db2.gz WQBPCTWUXCRNME-UWVGGRQHSA-N 1 2 223.345 1.716 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](CF)C2)[nH+]c1C ZINC000628310070 350787473 /nfs/dbraw/zinc/78/74/73/350787473.db2.gz LRZWNHGQNPZQCE-JTQLQIEISA-N 1 2 227.283 1.197 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCC(=O)OC(C)(C)C ZINC000174434230 191124560 /nfs/dbraw/zinc/12/45/60/191124560.db2.gz MUDWTJKYIWLOBO-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000577604808 366014450 /nfs/dbraw/zinc/01/44/50/366014450.db2.gz WCJUEQDZDIDLSK-NWDGAFQWSA-N 1 2 248.330 1.408 20 0 BDADLO c1cn(-c2cc(Nc3cn[nH]c3)ncn2)c[nH+]1 ZINC000607142838 350943693 /nfs/dbraw/zinc/94/36/93/350943693.db2.gz KZOIPFSCRTVUAB-UHFFFAOYSA-N 1 2 227.231 1.129 20 0 BDADLO Cc1cc(NC[C@H](C)C[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000607147494 350947778 /nfs/dbraw/zinc/94/77/78/350947778.db2.gz PNORBEXEPYETQT-KOLCDFICSA-N 1 2 249.358 1.903 20 0 BDADLO CC(C)c1nc(N2CC(O)(C3CC3)C2)cc[nH+]1 ZINC000364134645 191129015 /nfs/dbraw/zinc/12/90/15/191129015.db2.gz DTQLOTXEVSMWDC-UHFFFAOYSA-N 1 2 233.315 1.561 20 0 BDADLO COc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398311545 351024145 /nfs/dbraw/zinc/02/41/45/351024145.db2.gz SVPDNLQVRSAPBD-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO Cc1ccc(C)c(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398318493 351025102 /nfs/dbraw/zinc/02/51/02/351025102.db2.gz XQQUXPXQAYBHJQ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1ccc(C)c(C[NH2+]Cc2c[nH]nn2)c1 ZINC000398318493 351025106 /nfs/dbraw/zinc/02/51/06/351025106.db2.gz XQQUXPXQAYBHJQ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1ccc(C)c(C[NH2+]Cc2cn[nH]n2)c1 ZINC000398318493 351025110 /nfs/dbraw/zinc/02/51/10/351025110.db2.gz XQQUXPXQAYBHJQ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO CCCOc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398323873 351034600 /nfs/dbraw/zinc/03/46/00/351034600.db2.gz DLFLOAFVZPPXHL-UHFFFAOYSA-N 1 2 246.314 1.883 20 0 BDADLO CS[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000382854163 351055291 /nfs/dbraw/zinc/05/52/91/351055291.db2.gz BNSCVUGQKQRASM-SNVBAGLBSA-N 1 2 224.329 1.516 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000398363340 351123231 /nfs/dbraw/zinc/12/32/31/351123231.db2.gz KDAUMUBSASBJII-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1ccc(C[NH2+]Cc2c[nH]nn2)s1 ZINC000398363340 351123232 /nfs/dbraw/zinc/12/32/32/351123232.db2.gz KDAUMUBSASBJII-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn[nH]n2)s1 ZINC000398363340 351123236 /nfs/dbraw/zinc/12/32/36/351123236.db2.gz KDAUMUBSASBJII-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000623578655 363011175 /nfs/dbraw/zinc/01/11/75/363011175.db2.gz RGWOWOATAJSKQX-JGVFFNPUSA-N 1 2 212.322 1.178 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000623578655 363011177 /nfs/dbraw/zinc/01/11/77/363011177.db2.gz RGWOWOATAJSKQX-JGVFFNPUSA-N 1 2 212.322 1.178 20 0 BDADLO COc1ccccc1[C@H]1C[N@H+](CCO)CCO1 ZINC000616644471 351163485 /nfs/dbraw/zinc/16/34/85/351163485.db2.gz CUVXPUZGEMRWMA-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO COc1ccccc1[C@H]1C[N@@H+](CCO)CCO1 ZINC000616644471 351163487 /nfs/dbraw/zinc/16/34/87/351163487.db2.gz CUVXPUZGEMRWMA-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC000398391974 351130479 /nfs/dbraw/zinc/13/04/79/351130479.db2.gz KMHNZPKGODYIGQ-NXEZZACHSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC000398391974 351130483 /nfs/dbraw/zinc/13/04/83/351130483.db2.gz KMHNZPKGODYIGQ-NXEZZACHSA-N 1 2 208.309 1.721 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H]2C)nc(N)[nH+]1 ZINC000379923478 351288683 /nfs/dbraw/zinc/28/86/83/351288683.db2.gz SOROSKXVVKYMCY-HTRCEHHLSA-N 1 2 207.281 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000379923478 351288686 /nfs/dbraw/zinc/28/86/86/351288686.db2.gz SOROSKXVVKYMCY-HTRCEHHLSA-N 1 2 207.281 1.193 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1=COCCO1 ZINC000265252962 351265930 /nfs/dbraw/zinc/26/59/30/351265930.db2.gz UALPVXALWGNIQC-UHFFFAOYSA-N 1 2 234.255 1.471 20 0 BDADLO CC1CCC(O)(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000083468355 351389657 /nfs/dbraw/zinc/38/96/57/351389657.db2.gz FMYQXIMAGMKZQS-UHFFFAOYSA-N 1 2 223.320 1.441 20 0 BDADLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)OC ZINC000072728868 351393827 /nfs/dbraw/zinc/39/38/27/351393827.db2.gz FYZZRFGSWFWKTF-UHFFFAOYSA-N 1 2 247.298 1.619 20 0 BDADLO CC[N@H+](Cc1ccncc1)Cc1nccc(N)n1 ZINC000270984558 351394478 /nfs/dbraw/zinc/39/44/78/351394478.db2.gz HAISHUFHPXJUSQ-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO CC[N@@H+](Cc1ccncc1)Cc1nccc(N)n1 ZINC000270984558 351394485 /nfs/dbraw/zinc/39/44/85/351394485.db2.gz HAISHUFHPXJUSQ-UHFFFAOYSA-N 1 2 243.314 1.476 20 0 BDADLO O=C(CC1CC1)NCc1cn2ccccc2[nH+]1 ZINC000028875617 351341467 /nfs/dbraw/zinc/34/14/67/351341467.db2.gz LREKMNOOHKPMNI-UHFFFAOYSA-N 1 2 229.283 1.751 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000674231396 487527524 /nfs/dbraw/zinc/52/75/24/487527524.db2.gz WDXBJKIBRAWSOZ-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO CC(C)(O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000674231396 487527525 /nfs/dbraw/zinc/52/75/25/487527525.db2.gz WDXBJKIBRAWSOZ-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1cnn(C)c1 ZINC000271473000 351419199 /nfs/dbraw/zinc/41/91/99/351419199.db2.gz JDSVFUOXEHMVCB-GFCCVEGCSA-N 1 2 233.319 1.693 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]C2CSC2)s1 ZINC000307012207 351420003 /nfs/dbraw/zinc/42/00/03/351420003.db2.gz KPCRFWBIMDMFIL-RXMQYKEDSA-N 1 2 215.347 1.613 20 0 BDADLO CC(C)C[C@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000337206652 191136806 /nfs/dbraw/zinc/13/68/06/191136806.db2.gz MYRWWHHXZFJITK-JTQLQIEISA-N 1 2 238.335 1.482 20 0 BDADLO CC(C)C[C@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000337206652 191136809 /nfs/dbraw/zinc/13/68/09/191136809.db2.gz MYRWWHHXZFJITK-JTQLQIEISA-N 1 2 238.335 1.482 20 0 BDADLO CC(C)C[C@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000337206652 191136812 /nfs/dbraw/zinc/13/68/12/191136812.db2.gz MYRWWHHXZFJITK-JTQLQIEISA-N 1 2 238.335 1.482 20 0 BDADLO CC(C)C[C@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000337206652 191136813 /nfs/dbraw/zinc/13/68/13/191136813.db2.gz MYRWWHHXZFJITK-JTQLQIEISA-N 1 2 238.335 1.482 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000337210363 191136869 /nfs/dbraw/zinc/13/68/69/191136869.db2.gz CKYVUBLZCZFLJT-OZVIIMIRSA-N 1 2 247.404 1.500 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000337210363 191136871 /nfs/dbraw/zinc/13/68/71/191136871.db2.gz CKYVUBLZCZFLJT-OZVIIMIRSA-N 1 2 247.404 1.500 20 0 BDADLO COC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)C ZINC000572057267 323530142 /nfs/dbraw/zinc/53/01/42/323530142.db2.gz JZTAUMUPDDLBIG-LLVKDONJSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000300842275 187486060 /nfs/dbraw/zinc/48/60/60/187486060.db2.gz ISKIFUFHKAXXQH-SRVKXCTJSA-N 1 2 224.348 1.774 20 0 BDADLO COc1cccc(C)c1C[NH+]1CCOCC1 ZINC000637810422 351650590 /nfs/dbraw/zinc/65/05/90/351650590.db2.gz DPZBOGDTVNEQHL-UHFFFAOYSA-N 1 2 221.300 1.836 20 0 BDADLO O=c1c(C[NH+]2CCOCC2)cccn1C(F)F ZINC000637810849 351651222 /nfs/dbraw/zinc/65/12/22/351651222.db2.gz JXHZGBYVJKGZDH-UHFFFAOYSA-N 1 2 244.241 1.076 20 0 BDADLO C[C@H]1C[NH+](Cc2ccns2)C[C@H](C)O1 ZINC000637814754 351654010 /nfs/dbraw/zinc/65/40/10/351654010.db2.gz NDBYCZVLZUUBEQ-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@H](CNc1c[nH+]cc(N(C)C)c1)C1CC1 ZINC000639364656 538100830 /nfs/dbraw/zinc/10/08/30/538100830.db2.gz ZKJFRKZLWUSPCS-CYBMUJFWSA-N 1 2 235.331 1.985 20 0 BDADLO CCC[NH+]1CCN(C[C@](C)(OC)C2CC2)CC1 ZINC000637829832 351677939 /nfs/dbraw/zinc/67/79/39/351677939.db2.gz QCFPIDLESDYQTI-AWEZNQCLSA-N 1 2 240.391 1.829 20 0 BDADLO C[C@H](CC(=O)N(C)c1ccccn1)n1cc[nH+]c1 ZINC000577734970 366047346 /nfs/dbraw/zinc/04/73/46/366047346.db2.gz QOLMVIZJFTWJGA-LLVKDONJSA-N 1 2 244.298 1.892 20 0 BDADLO CCn1ncc(C(=O)Nc2ccc(N)[nH+]c2)c1C ZINC000637830163 351678661 /nfs/dbraw/zinc/67/86/61/351678661.db2.gz SSSOARNHGYENAM-UHFFFAOYSA-N 1 2 245.286 1.271 20 0 BDADLO CC1(C)C[N@H+](Cc2cocn2)CC[C@@H]1O ZINC000277296701 351697734 /nfs/dbraw/zinc/69/77/34/351697734.db2.gz AOFWVBATPUAHIR-JTQLQIEISA-N 1 2 210.277 1.267 20 0 BDADLO CC1(C)C[N@@H+](Cc2cocn2)CC[C@@H]1O ZINC000277296701 351697735 /nfs/dbraw/zinc/69/77/35/351697735.db2.gz AOFWVBATPUAHIR-JTQLQIEISA-N 1 2 210.277 1.267 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000577767104 366057553 /nfs/dbraw/zinc/05/75/53/366057553.db2.gz RWXDVDXPMCFBNG-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000577767104 366057558 /nfs/dbraw/zinc/05/75/58/366057558.db2.gz RWXDVDXPMCFBNG-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)[C@H](C)CO1 ZINC000637931115 351807661 /nfs/dbraw/zinc/80/76/61/351807661.db2.gz ZIZZNGFOVQTVGC-NQBHXWOUSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)[C@H](C)CO1 ZINC000637931115 351807664 /nfs/dbraw/zinc/80/76/64/351807664.db2.gz ZIZZNGFOVQTVGC-NQBHXWOUSA-N 1 2 249.358 1.980 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000618867751 351859436 /nfs/dbraw/zinc/85/94/36/351859436.db2.gz YKZLZRXCGOMPCN-VXGBXAGGSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000618868121 351874467 /nfs/dbraw/zinc/87/44/67/351874467.db2.gz KPKHKQNXAJZUNU-NSHDSACASA-N 1 2 221.304 1.267 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2CCC[C@H]2CCO2)no1 ZINC000637998396 351875584 /nfs/dbraw/zinc/87/55/84/351875584.db2.gz IGIPDCCPXMNVMT-WDEREUQCSA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2CCC[C@H]2CCO2)no1 ZINC000637998396 351875585 /nfs/dbraw/zinc/87/55/85/351875585.db2.gz IGIPDCCPXMNVMT-WDEREUQCSA-N 1 2 237.303 1.776 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+]1CCn2cnnc2C1)OC ZINC000638049868 351927167 /nfs/dbraw/zinc/92/71/67/351927167.db2.gz PTYWCRWMSHPKGQ-GHMZBOCLSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+]1CCn2cnnc2C1)OC ZINC000638049868 351927169 /nfs/dbraw/zinc/92/71/69/351927169.db2.gz PTYWCRWMSHPKGQ-GHMZBOCLSA-N 1 2 238.335 1.155 20 0 BDADLO CN(Cc1cc[nH]n1)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638063474 351935407 /nfs/dbraw/zinc/93/54/07/351935407.db2.gz GKTAIIRJZKTLJI-LBPRGKRZSA-N 1 2 245.330 1.726 20 0 BDADLO COCC[N@H+](CCC[C@H]1CCO1)CC(F)F ZINC000638016130 351894208 /nfs/dbraw/zinc/89/42/08/351894208.db2.gz UVACOMIGGKIVPC-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO COCC[N@@H+](CCC[C@H]1CCO1)CC(F)F ZINC000638016130 351894211 /nfs/dbraw/zinc/89/42/11/351894211.db2.gz UVACOMIGGKIVPC-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO CC[N@H+](Cc1nc(C)cs1)[C@@H]1CCNC1=O ZINC000281510361 351895637 /nfs/dbraw/zinc/89/56/37/351895637.db2.gz BGPDQFOWRPRADC-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1nc(C)cs1)[C@@H]1CCNC1=O ZINC000281510361 351895640 /nfs/dbraw/zinc/89/56/40/351895640.db2.gz BGPDQFOWRPRADC-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1 ZINC000340105251 351904390 /nfs/dbraw/zinc/90/43/90/351904390.db2.gz IUFJMZOQFHPBSZ-LBPRGKRZSA-N 1 2 243.310 1.631 20 0 BDADLO CC[N@H+](Cc1ncc(C)s1)[C@H]1CCNC1=O ZINC000281849995 351912693 /nfs/dbraw/zinc/91/26/93/351912693.db2.gz NLRWJMGTEQPPMB-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1ncc(C)s1)[C@H]1CCNC1=O ZINC000281849995 351912697 /nfs/dbraw/zinc/91/26/97/351912697.db2.gz NLRWJMGTEQPPMB-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO C[C@@H]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073045563 351986893 /nfs/dbraw/zinc/98/68/93/351986893.db2.gz DGINHUFBBDSNGY-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@@H](C)c1nncn1C ZINC000287737166 352133005 /nfs/dbraw/zinc/13/30/05/352133005.db2.gz KWWGZPOUNVZTII-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@@H](C)c1nncn1C ZINC000287737166 352133010 /nfs/dbraw/zinc/13/30/10/352133010.db2.gz KWWGZPOUNVZTII-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CCN1CC[N@H+](Cc2nc(C)ccc2O)[C@H](C)C1 ZINC000289190951 352175207 /nfs/dbraw/zinc/17/52/07/352175207.db2.gz AUXHVUIIUIDAHV-GFCCVEGCSA-N 1 2 249.358 1.622 20 0 BDADLO CCN1CC[N@@H+](Cc2nc(C)ccc2O)[C@H](C)C1 ZINC000289190951 352175211 /nfs/dbraw/zinc/17/52/11/352175211.db2.gz AUXHVUIIUIDAHV-GFCCVEGCSA-N 1 2 249.358 1.622 20 0 BDADLO CC[N@H+](Cc1cc[nH]n1)Cc1ccncc1 ZINC000289890133 352201504 /nfs/dbraw/zinc/20/15/04/352201504.db2.gz SSYGMNNCNMTAHC-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO CC[N@@H+](Cc1cc[nH]n1)Cc1ccncc1 ZINC000289890133 352201510 /nfs/dbraw/zinc/20/15/10/352201510.db2.gz SSYGMNNCNMTAHC-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO CC(C)c1cc(-n2cc[nH+]c2)n2ncnc2n1 ZINC000613362438 363139050 /nfs/dbraw/zinc/13/90/50/363139050.db2.gz NPKKLUYDXOHYOK-UHFFFAOYSA-N 1 2 228.259 1.433 20 0 BDADLO CCCCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364028320 168665556 /nfs/dbraw/zinc/66/55/56/168665556.db2.gz HBSUVHQMXVOPQS-VIFPVBQESA-N 1 2 234.290 1.680 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C)ncn1 ZINC000292437644 352320239 /nfs/dbraw/zinc/32/02/39/352320239.db2.gz MVBYAXNRBJMXMC-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C)ncn1 ZINC000292437644 352320246 /nfs/dbraw/zinc/32/02/46/352320246.db2.gz MVBYAXNRBJMXMC-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000411223512 191171006 /nfs/dbraw/zinc/17/10/06/191171006.db2.gz DBVAECVPRZSNIZ-JTQLQIEISA-N 1 2 243.347 1.875 20 0 BDADLO Cc1[nH+]c2cc(NS(C)(=O)=O)ccc2n1C ZINC000074985709 363185087 /nfs/dbraw/zinc/18/50/87/363185087.db2.gz WWHSXQWCZDMLQV-UHFFFAOYSA-N 1 2 239.300 1.253 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)C1CCC1 ZINC000607874693 352377612 /nfs/dbraw/zinc/37/76/12/352377612.db2.gz YITJFOVRFAVSDR-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000294674748 352382706 /nfs/dbraw/zinc/38/27/06/352382706.db2.gz STPLWDWQXUQOOU-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000411430984 191184688 /nfs/dbraw/zinc/18/46/88/191184688.db2.gz YZESVRCVBAFKRT-LBPRGKRZSA-N 1 2 249.358 1.941 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000411430984 191184689 /nfs/dbraw/zinc/18/46/89/191184689.db2.gz YZESVRCVBAFKRT-LBPRGKRZSA-N 1 2 249.358 1.941 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(C)C(C)C ZINC000411409949 191185114 /nfs/dbraw/zinc/18/51/14/191185114.db2.gz ABAQWEVPMFVOAQ-CYBMUJFWSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(C)C(C)C ZINC000411409949 191185116 /nfs/dbraw/zinc/18/51/16/191185116.db2.gz ABAQWEVPMFVOAQ-CYBMUJFWSA-N 1 2 242.363 1.354 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cncs1 ZINC000411683086 191205102 /nfs/dbraw/zinc/20/51/02/191205102.db2.gz QLUKEEANRKAASJ-MRVPVSSYSA-N 1 2 228.317 1.179 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cncs1 ZINC000411683086 191205104 /nfs/dbraw/zinc/20/51/04/191205104.db2.gz QLUKEEANRKAASJ-MRVPVSSYSA-N 1 2 228.317 1.179 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411718442 191206727 /nfs/dbraw/zinc/20/67/27/191206727.db2.gz CFSWXMPKSYTZSC-SFYZADRCSA-N 1 2 212.297 1.141 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411718442 191206730 /nfs/dbraw/zinc/20/67/30/191206730.db2.gz CFSWXMPKSYTZSC-SFYZADRCSA-N 1 2 212.297 1.141 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH+]c[nH]2)[nH]n1 ZINC000607948736 352454540 /nfs/dbraw/zinc/45/45/40/352454540.db2.gz QUVQOVHCWDKIKY-UHFFFAOYSA-N 1 2 233.275 1.015 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH]c[nH+]2)[nH]n1 ZINC000607948736 352454545 /nfs/dbraw/zinc/45/45/45/352454545.db2.gz QUVQOVHCWDKIKY-UHFFFAOYSA-N 1 2 233.275 1.015 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)CC1CC1)C1CC1 ZINC000341716507 180757111 /nfs/dbraw/zinc/75/71/11/180757111.db2.gz HOVUAJGMVKPIPL-GFCCVEGCSA-N 1 2 233.315 1.788 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000411857106 191219912 /nfs/dbraw/zinc/21/99/12/191219912.db2.gz LNXUJANCZVJVQC-LLVKDONJSA-N 1 2 241.310 1.463 20 0 BDADLO CCn1ccnc1C[N@H+]1CCCO[C@H](CF)C1 ZINC000411857106 191219913 /nfs/dbraw/zinc/21/99/13/191219913.db2.gz LNXUJANCZVJVQC-LLVKDONJSA-N 1 2 241.310 1.463 20 0 BDADLO c1cc(C[NH2+]Cc2[nH]nc3ccccc32)n[nH]1 ZINC000608055977 352652063 /nfs/dbraw/zinc/65/20/63/352652063.db2.gz VVBOCERRRYGLIL-UHFFFAOYSA-N 1 2 227.271 1.576 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCO[C@H](CF)C1 ZINC000411859367 191222176 /nfs/dbraw/zinc/22/21/76/191222176.db2.gz OXHFWOFWOFLQTE-LLVKDONJSA-N 1 2 241.310 1.634 20 0 BDADLO CCc1nc(C[NH2+][C@@H](C)C2(OC)CCC2)no1 ZINC000412019523 191236733 /nfs/dbraw/zinc/23/67/33/191236733.db2.gz FQHXVYZCNANSST-VIFPVBQESA-N 1 2 239.319 1.679 20 0 BDADLO Cc1nc(N2CCC[C@H](c3cc[nH]n3)C2)cc[nH+]1 ZINC000608080446 352728770 /nfs/dbraw/zinc/72/87/70/352728770.db2.gz ABICVDXYGOKORZ-NSHDSACASA-N 1 2 243.314 1.892 20 0 BDADLO Cc1nc(N2CCC[C@H](CCC(N)=O)C2)cc[nH+]1 ZINC000608082305 352741489 /nfs/dbraw/zinc/74/14/89/352741489.db2.gz XXLUBUDBWNVKHY-LLVKDONJSA-N 1 2 248.330 1.267 20 0 BDADLO Cc1nc(N2CCC[C@@H](CCC(N)=O)C2)cc[nH+]1 ZINC000608082306 352741687 /nfs/dbraw/zinc/74/16/87/352741687.db2.gz XXLUBUDBWNVKHY-NSHDSACASA-N 1 2 248.330 1.267 20 0 BDADLO Cc1nnc(N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000608082789 352749599 /nfs/dbraw/zinc/74/95/99/352749599.db2.gz KTTANACXFOOPKH-SNVBAGLBSA-N 1 2 249.343 1.885 20 0 BDADLO Cc1cc(NC(=O)c2cncs2)cc[nH+]1 ZINC000334176031 352761206 /nfs/dbraw/zinc/76/12/06/352761206.db2.gz CLBCWQYATHCDFS-UHFFFAOYSA-N 1 2 219.269 1.521 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(C2CCC2)C1 ZINC000334183476 352772421 /nfs/dbraw/zinc/77/24/21/352772421.db2.gz FQLZYOKMSYBUQZ-UHFFFAOYSA-N 1 2 219.288 1.142 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000334185249 352773819 /nfs/dbraw/zinc/77/38/19/352773819.db2.gz DUSCXXZQXKBLJT-NWDGAFQWSA-N 1 2 249.314 1.183 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000334188856 352778571 /nfs/dbraw/zinc/77/85/71/352778571.db2.gz KDTHLGJVKGOWLO-LLVKDONJSA-N 1 2 223.320 1.430 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000334188856 352778576 /nfs/dbraw/zinc/77/85/76/352778576.db2.gz KDTHLGJVKGOWLO-LLVKDONJSA-N 1 2 223.320 1.430 20 0 BDADLO CC[N@H+](Cc1nnn(C)n1)C1CC(C)(C)C1 ZINC000412044676 191251398 /nfs/dbraw/zinc/25/13/98/191251398.db2.gz XWDHPDLVRVMOHI-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO CC[N@@H+](Cc1nnn(C)n1)C1CC(C)(C)C1 ZINC000412044676 191251399 /nfs/dbraw/zinc/25/13/99/191251399.db2.gz XWDHPDLVRVMOHI-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CCC2)C1 ZINC000334234325 352850766 /nfs/dbraw/zinc/85/07/66/352850766.db2.gz ZJSSSFZBRJDLKN-JTQLQIEISA-N 1 2 248.330 1.472 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000334259581 352871496 /nfs/dbraw/zinc/87/14/96/352871496.db2.gz QOIIJEKPRTZNAY-GFCCVEGCSA-N 1 2 227.254 1.732 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000334259581 352871500 /nfs/dbraw/zinc/87/15/00/352871500.db2.gz QOIIJEKPRTZNAY-GFCCVEGCSA-N 1 2 227.254 1.732 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000334246232 352836047 /nfs/dbraw/zinc/83/60/47/352836047.db2.gz UIZBIKPMFFGPHZ-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cncs1 ZINC000334274878 352911397 /nfs/dbraw/zinc/91/13/97/352911397.db2.gz MDJKKBZBDGROOE-YUMQZZPRSA-N 1 2 216.281 1.048 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cncs1 ZINC000334274878 352911401 /nfs/dbraw/zinc/91/14/01/352911401.db2.gz MDJKKBZBDGROOE-YUMQZZPRSA-N 1 2 216.281 1.048 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334264289 352898999 /nfs/dbraw/zinc/89/89/99/352898999.db2.gz KVQRPWGNWPLMBL-RKDXNWHRSA-N 1 2 221.304 1.744 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334264289 352899002 /nfs/dbraw/zinc/89/90/02/352899002.db2.gz KVQRPWGNWPLMBL-RKDXNWHRSA-N 1 2 221.304 1.744 20 0 BDADLO O=C(NCc1ccc[nH+]c1N1CCCC1)C1CC1 ZINC000617479509 352945399 /nfs/dbraw/zinc/94/53/99/352945399.db2.gz QBFNGQJUARETSJ-UHFFFAOYSA-N 1 2 245.326 1.708 20 0 BDADLO CC(C)Cc1c[nH]c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000412131802 191261876 /nfs/dbraw/zinc/26/18/76/191261876.db2.gz VPIRTKAOWXTPEI-UHFFFAOYSA-N 1 2 246.314 1.866 20 0 BDADLO CC(C)Cc1c[nH]c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000412131802 191261879 /nfs/dbraw/zinc/26/18/79/191261879.db2.gz VPIRTKAOWXTPEI-UHFFFAOYSA-N 1 2 246.314 1.866 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC1(C)C)[NH+]1CCOCC1 ZINC000334375726 353032360 /nfs/dbraw/zinc/03/23/60/353032360.db2.gz DRRVSLBVIYEMBI-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cncc(C)c1 ZINC000638811081 353001360 /nfs/dbraw/zinc/00/13/60/353001360.db2.gz IUZSUCKUBVIBQU-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1[nH+]c2cccc(F)c2n1C ZINC000334361846 353012497 /nfs/dbraw/zinc/01/24/97/353012497.db2.gz JPKFSIKMLXIOKP-BDAKNGLRSA-N 1 2 249.289 1.672 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC[C@]2(C)CO)cc[nH+]1 ZINC000608090079 353110485 /nfs/dbraw/zinc/11/04/85/353110485.db2.gz ZCCSLXAVJABXHE-BXUZGUMPSA-N 1 2 249.358 1.985 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1nccn1C)OC ZINC000638919179 353084071 /nfs/dbraw/zinc/08/40/71/353084071.db2.gz KNJZIDBOMRLOLM-NSHDSACASA-N 1 2 225.336 1.667 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1nccn1C)OC ZINC000638919179 353084072 /nfs/dbraw/zinc/08/40/72/353084072.db2.gz KNJZIDBOMRLOLM-NSHDSACASA-N 1 2 225.336 1.667 20 0 BDADLO Cc1nc(N[C@@H]2CCC(F)(F)C2)nc(N)[nH+]1 ZINC000393739809 353084981 /nfs/dbraw/zinc/08/49/81/353084981.db2.gz DIFWKMNXQXXXLJ-ZCFIWIBFSA-N 1 2 229.234 1.192 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC(F)(F)C2)[nH+]1 ZINC000393739809 353084983 /nfs/dbraw/zinc/08/49/83/353084983.db2.gz DIFWKMNXQXXXLJ-ZCFIWIBFSA-N 1 2 229.234 1.192 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC[C@H](O)CC1 ZINC000242838141 538108705 /nfs/dbraw/zinc/10/87/05/538108705.db2.gz FUJQWXHGYVCVPW-KYZUINATSA-N 1 2 247.302 1.079 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C[C@H]1CCCO1 ZINC000048990503 353159172 /nfs/dbraw/zinc/15/91/72/353159172.db2.gz NUSTYPXBJVWNSQ-SNVBAGLBSA-N 1 2 249.314 1.655 20 0 BDADLO CC(C)(C)n1ncnc1C[N@@H+]1CCCOCC1 ZINC000367300096 188067454 /nfs/dbraw/zinc/06/74/54/188067454.db2.gz RTMPFQWBDULSDZ-UHFFFAOYSA-N 1 2 238.335 1.255 20 0 BDADLO CC(C)(C)n1ncnc1C[N@H+]1CCCOCC1 ZINC000367300096 188067455 /nfs/dbraw/zinc/06/74/55/188067455.db2.gz RTMPFQWBDULSDZ-UHFFFAOYSA-N 1 2 238.335 1.255 20 0 BDADLO Cc1cc(NC(=O)CCc2ncccn2)cc[nH+]1 ZINC000359918162 188068806 /nfs/dbraw/zinc/06/88/06/188068806.db2.gz QOAHMBJSMMLIIQ-UHFFFAOYSA-N 1 2 242.282 1.173 20 0 BDADLO C(c1nnc2n1CCOC2)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368694367 188074378 /nfs/dbraw/zinc/07/43/78/188074378.db2.gz YVXIRNHIPNPSNA-GHMZBOCLSA-N 1 2 248.330 1.183 20 0 BDADLO C(c1nnc2n1CCOC2)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368694367 188074380 /nfs/dbraw/zinc/07/43/80/188074380.db2.gz YVXIRNHIPNPSNA-GHMZBOCLSA-N 1 2 248.330 1.183 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C1CC1 ZINC000373530103 188076619 /nfs/dbraw/zinc/07/66/19/188076619.db2.gz BFPFLORUMCNGFO-ZDUSSCGKSA-N 1 2 247.342 1.754 20 0 BDADLO C/C(=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000376534873 188078203 /nfs/dbraw/zinc/07/82/03/188078203.db2.gz ISAPIAQOAKJANU-LAHYYIKRSA-N 1 2 245.326 1.740 20 0 BDADLO CC(=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000376534873 188078205 /nfs/dbraw/zinc/07/82/05/188078205.db2.gz ISAPIAQOAKJANU-LAHYYIKRSA-N 1 2 245.326 1.740 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376954485 188079109 /nfs/dbraw/zinc/07/91/09/188079109.db2.gz LFNIWXSDFILSTN-NEPJUHHUSA-N 1 2 249.358 1.854 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOCC(F)F ZINC000190894120 188081002 /nfs/dbraw/zinc/08/10/02/188081002.db2.gz VDUPHHPQCSVYCS-UHFFFAOYSA-N 1 2 219.235 1.089 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310094306 188081432 /nfs/dbraw/zinc/08/14/32/188081432.db2.gz HERIJVGVETWQAW-JTQLQIEISA-N 1 2 243.347 1.421 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310094306 188081434 /nfs/dbraw/zinc/08/14/34/188081434.db2.gz HERIJVGVETWQAW-JTQLQIEISA-N 1 2 243.347 1.421 20 0 BDADLO c1nnc([C@H]2CCCC[N@H+]2C[C@H]2CCCO2)[nH]1 ZINC000329395697 538108960 /nfs/dbraw/zinc/10/89/60/538108960.db2.gz VSJIADOMKKJQIO-GHMZBOCLSA-N 1 2 236.319 1.511 20 0 BDADLO c1nnc([C@H]2CCCC[N@@H+]2C[C@H]2CCCO2)[nH]1 ZINC000329395697 538108961 /nfs/dbraw/zinc/10/89/61/538108961.db2.gz VSJIADOMKKJQIO-GHMZBOCLSA-N 1 2 236.319 1.511 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000042666264 188084094 /nfs/dbraw/zinc/08/40/94/188084094.db2.gz UHUWNXOEEXKXDM-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000042666264 188084096 /nfs/dbraw/zinc/08/40/96/188084096.db2.gz UHUWNXOEEXKXDM-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000073950861 353177034 /nfs/dbraw/zinc/17/70/34/353177034.db2.gz WIELIGUKKMVCPO-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccc(=O)[nH]c1)CC2 ZINC000638972119 353177444 /nfs/dbraw/zinc/17/74/44/353177444.db2.gz CWOHHDDWPUKKSI-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1ccns1 ZINC000638954217 353167508 /nfs/dbraw/zinc/16/75/08/353167508.db2.gz ADTOFTDVHGBJLP-UHFFFAOYSA-N 1 2 241.360 1.621 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1ccns1 ZINC000638954217 353167510 /nfs/dbraw/zinc/16/75/10/353167510.db2.gz ADTOFTDVHGBJLP-UHFFFAOYSA-N 1 2 241.360 1.621 20 0 BDADLO Cc1sccc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000638978647 353185591 /nfs/dbraw/zinc/18/55/91/353185591.db2.gz KRGHTWUQZJDZGI-QMMMGPOBSA-N 1 2 228.342 1.658 20 0 BDADLO OCc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715378 188125688 /nfs/dbraw/zinc/12/56/88/188125688.db2.gz CFZNPTOXGLBWFY-UHFFFAOYSA-N 1 2 203.245 1.514 20 0 BDADLO CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000057053806 188126870 /nfs/dbraw/zinc/12/68/70/188126870.db2.gz CWTLRUNSVUOMEO-UHFFFAOYSA-N 1 2 247.342 1.392 20 0 BDADLO CC(=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000047864549 188152482 /nfs/dbraw/zinc/15/24/82/188152482.db2.gz IVHUJCTXIWMFPC-UHFFFAOYSA-N 1 2 246.354 1.783 20 0 BDADLO CC(=O)N1CC[NH+](Cc2occc2C)CC1 ZINC000157863123 188158264 /nfs/dbraw/zinc/15/82/64/188158264.db2.gz INUYYSCHQCWJJG-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CC(C)[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000308458002 188163437 /nfs/dbraw/zinc/16/34/37/188163437.db2.gz NBEWFKMBYCCOLG-SECBINFHSA-N 1 2 209.280 1.979 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000308458002 188163439 /nfs/dbraw/zinc/16/34/39/188163439.db2.gz NBEWFKMBYCCOLG-SECBINFHSA-N 1 2 209.280 1.979 20 0 BDADLO CC(C)(F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179444052 188167707 /nfs/dbraw/zinc/16/77/07/188167707.db2.gz RLTULXVKSNKUFL-UHFFFAOYSA-N 1 2 235.262 1.699 20 0 BDADLO CC(=O)N(C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000268028470 188196095 /nfs/dbraw/zinc/19/60/95/188196095.db2.gz WPGYUIIRQVBVKG-UHFFFAOYSA-N 1 2 235.287 1.115 20 0 BDADLO Cc1cnc(N(C)CCCn2cc[nH+]c2)nc1C ZINC000270796264 188198397 /nfs/dbraw/zinc/19/83/97/188198397.db2.gz SONKLZOVTPJQQU-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO CC(C)Cc1noc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000274005294 188200036 /nfs/dbraw/zinc/20/00/36/188200036.db2.gz KGLBWXCOFKWGDU-SECBINFHSA-N 1 2 249.318 1.842 20 0 BDADLO CO[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000297928287 188214796 /nfs/dbraw/zinc/21/47/96/188214796.db2.gz YHJAMIBSLXFJRB-GFCCVEGCSA-N 1 2 245.282 1.698 20 0 BDADLO CC[C@H](CO)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000297739446 188215193 /nfs/dbraw/zinc/21/51/93/188215193.db2.gz KWGOHOZIBGYGDN-SNVBAGLBSA-N 1 2 237.303 1.625 20 0 BDADLO Cc1nc(N(C)C[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000340915237 188217041 /nfs/dbraw/zinc/21/70/41/188217041.db2.gz LZNIAGNDEAISHD-SSDOTTSWSA-N 1 2 235.209 1.144 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(N)=O)CCO2 ZINC000285648097 188207880 /nfs/dbraw/zinc/20/78/80/188207880.db2.gz SHGFQXFYUXIUPV-SNVBAGLBSA-N 1 2 234.299 1.063 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(N)=O)CCO2 ZINC000285648097 188207882 /nfs/dbraw/zinc/20/78/82/188207882.db2.gz SHGFQXFYUXIUPV-SNVBAGLBSA-N 1 2 234.299 1.063 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287578120 188209191 /nfs/dbraw/zinc/20/91/91/188209191.db2.gz QIJVXANYHBWSBD-LLVKDONJSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccno1 ZINC000336336613 188229181 /nfs/dbraw/zinc/22/91/81/188229181.db2.gz YIFSNVDETKLUNI-LBPRGKRZSA-N 1 2 223.320 1.447 20 0 BDADLO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccno1 ZINC000336336613 188229182 /nfs/dbraw/zinc/22/91/82/188229182.db2.gz YIFSNVDETKLUNI-LBPRGKRZSA-N 1 2 223.320 1.447 20 0 BDADLO COc1ccc(N[C@H](C)[C@H]2CCOC2)[nH+]c1 ZINC000225835913 538114290 /nfs/dbraw/zinc/11/42/90/538114290.db2.gz OWAGSZJRZOUSRR-ZJUUUORDSA-N 1 2 222.288 1.927 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc(F)cn1 ZINC000343272352 353294666 /nfs/dbraw/zinc/29/46/66/353294666.db2.gz UHPLKBLLHZWPIY-UHFFFAOYSA-N 1 2 234.234 1.446 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336298504 188227945 /nfs/dbraw/zinc/22/79/45/188227945.db2.gz ASNJSRACHYFDBO-DGCLKSJQSA-N 1 2 247.342 1.908 20 0 BDADLO COC1CC(N(C)c2cc(C)[nH+]cn2)C1 ZINC000343266385 353279846 /nfs/dbraw/zinc/27/98/46/353279846.db2.gz RQOVITYJMODWLS-UHFFFAOYSA-N 1 2 207.277 1.399 20 0 BDADLO CC(C)N1CCC[C@H]([N@@H+]2CCOC[C@@H]2C)C1=O ZINC000336264300 188228272 /nfs/dbraw/zinc/22/82/72/188228272.db2.gz DCJKDQCFASCGTP-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@H]([N@H+]2CCOC[C@@H]2C)C1=O ZINC000336264300 188228273 /nfs/dbraw/zinc/22/82/73/188228273.db2.gz DCJKDQCFASCGTP-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnoc2C)[C@H](C)C1 ZINC000336314143 188228944 /nfs/dbraw/zinc/22/89/44/188228944.db2.gz CKAATHFUBFDVCB-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnoc2C)[C@H](C)C1 ZINC000336314143 188228946 /nfs/dbraw/zinc/22/89/46/188228946.db2.gz CKAATHFUBFDVCB-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)sn1 ZINC000639058688 353365277 /nfs/dbraw/zinc/36/52/77/353365277.db2.gz UDRFVBUODTYXHC-WDEREUQCSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)sn1 ZINC000639058688 353365279 /nfs/dbraw/zinc/36/52/79/353365279.db2.gz UDRFVBUODTYXHC-WDEREUQCSA-N 1 2 239.388 1.976 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ccns1)c1ccco1 ZINC000639054136 353353235 /nfs/dbraw/zinc/35/32/35/353353235.db2.gz RJMXVOYIODLPGJ-SNVBAGLBSA-N 1 2 238.312 1.949 20 0 BDADLO Cc1cc(N(C)[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000343289374 353368888 /nfs/dbraw/zinc/36/88/88/353368888.db2.gz PZKSQMSOAOODDZ-UWVGGRQHSA-N 1 2 207.277 1.135 20 0 BDADLO CS[C@H]1CCCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091631885 353410174 /nfs/dbraw/zinc/41/01/74/353410174.db2.gz FXRQKHWHTVXFRU-QMMMGPOBSA-N 1 2 242.348 1.228 20 0 BDADLO CS[C@H]1CCCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091631885 353410177 /nfs/dbraw/zinc/41/01/77/353410177.db2.gz FXRQKHWHTVXFRU-QMMMGPOBSA-N 1 2 242.348 1.228 20 0 BDADLO CCc1nc(C[NH2+][C@]2(C)CCO[C@H]2C)no1 ZINC000336778161 353506949 /nfs/dbraw/zinc/50/69/49/353506949.db2.gz KNKZHGDSSOFDKN-GZMMTYOYSA-N 1 2 225.292 1.289 20 0 BDADLO CC(=O)NC1C[NH+](Cc2csc(C)c2)C1 ZINC000334512360 353539007 /nfs/dbraw/zinc/53/90/07/353539007.db2.gz YIPQQCDTVRWXOG-UHFFFAOYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncnn2C)sn1 ZINC000639098315 353497680 /nfs/dbraw/zinc/49/76/80/353497680.db2.gz WNVIYCWEZKGFHR-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO CCc1nc(C)c(CNCc2[nH]cc[nH+]2)o1 ZINC000336777929 353504221 /nfs/dbraw/zinc/50/42/21/353504221.db2.gz JXPCVHJGHZIMSN-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2ncc[nH]2)o1 ZINC000336777929 353504223 /nfs/dbraw/zinc/50/42/23/353504223.db2.gz JXPCVHJGHZIMSN-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CC1=CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000232811565 353576586 /nfs/dbraw/zinc/57/65/86/353576586.db2.gz NBPPXEDFSZZXIW-UHFFFAOYSA-N 1 2 224.695 1.869 20 0 BDADLO CC1=CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000232811565 353576588 /nfs/dbraw/zinc/57/65/88/353576588.db2.gz NBPPXEDFSZZXIW-UHFFFAOYSA-N 1 2 224.695 1.869 20 0 BDADLO C[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000334512978 353554751 /nfs/dbraw/zinc/55/47/51/353554751.db2.gz ZOJKKEHEIGPGGX-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000334512978 353554753 /nfs/dbraw/zinc/55/47/53/353554753.db2.gz ZOJKKEHEIGPGGX-GXFFZTMASA-N 1 2 239.290 1.580 20 0 BDADLO CO[C@@H]1CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000231683846 353644120 /nfs/dbraw/zinc/64/41/20/353644120.db2.gz CPAWERGSIRHHSG-NXEZZACHSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1cc(NCC(F)(F)CO)nc(C(C)C)[nH+]1 ZINC000231779810 353651955 /nfs/dbraw/zinc/65/19/55/353651955.db2.gz HUTNHWNHPFYYTM-UHFFFAOYSA-N 1 2 245.273 1.948 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085824937 491053491 /nfs/dbraw/zinc/05/34/91/491053491.db2.gz AVJJKPNACKHVCS-JTQLQIEISA-N 1 2 238.335 1.097 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085824937 491053492 /nfs/dbraw/zinc/05/34/92/491053492.db2.gz AVJJKPNACKHVCS-JTQLQIEISA-N 1 2 238.335 1.097 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000194455776 353662838 /nfs/dbraw/zinc/66/28/38/353662838.db2.gz SGOZSZWYXIDGKS-GHMZBOCLSA-N 1 2 238.335 1.617 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)cc1F ZINC000194426909 353655247 /nfs/dbraw/zinc/65/52/47/353655247.db2.gz ZXXLUPYMTCWAMM-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)cc1F ZINC000194426919 353655467 /nfs/dbraw/zinc/65/54/67/353655467.db2.gz ZXXLUPYMTCWAMM-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO Fc1cccc2c1C[N@H+](C[C@H]1COCCO1)C2 ZINC000335158885 181006593 /nfs/dbraw/zinc/00/65/93/181006593.db2.gz XPVVKLZBFKXGCL-NSHDSACASA-N 1 2 237.274 1.557 20 0 BDADLO Fc1cccc2c1C[N@@H+](C[C@H]1COCCO1)C2 ZINC000335158885 181006594 /nfs/dbraw/zinc/00/65/94/181006594.db2.gz XPVVKLZBFKXGCL-NSHDSACASA-N 1 2 237.274 1.557 20 0 BDADLO Fc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000336443494 181019443 /nfs/dbraw/zinc/01/94/43/181019443.db2.gz YNFVBLFZUIRRSR-TXEJJXNPSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000336443494 181019445 /nfs/dbraw/zinc/01/94/45/181019445.db2.gz YNFVBLFZUIRRSR-TXEJJXNPSA-N 1 2 222.263 1.584 20 0 BDADLO CC[C@@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313746 353868108 /nfs/dbraw/zinc/86/81/08/353868108.db2.gz LRBGUCMYACPXBG-VIFPVBQESA-N 1 2 248.286 1.227 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000334520962 353885414 /nfs/dbraw/zinc/88/54/14/353885414.db2.gz FINROMAWTXNSKW-CABZTGNLSA-N 1 2 249.314 1.047 20 0 BDADLO COCC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000343536553 353916891 /nfs/dbraw/zinc/91/68/91/353916891.db2.gz UFVOVRUAMPNOEI-UHFFFAOYSA-N 1 2 225.292 1.121 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc[nH+]1 ZINC000343553946 353920212 /nfs/dbraw/zinc/92/02/12/353920212.db2.gz VKYUUVJCFVJXSS-SDDRHHMPSA-N 1 2 247.342 1.807 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C4CC4)n3)C[C@@H]12 ZINC000343514512 353925208 /nfs/dbraw/zinc/92/52/08/353925208.db2.gz KBMOWMNPYVYMAN-IJLUTSLNSA-N 1 2 245.326 1.561 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C4CC4)n3)C[C@H]12 ZINC000343514511 353925241 /nfs/dbraw/zinc/92/52/41/353925241.db2.gz KBMOWMNPYVYMAN-GRYCIOLGSA-N 1 2 245.326 1.561 20 0 BDADLO Cc1cc(N2CC[C@H](COC(F)F)C2)nc[nH+]1 ZINC000343520817 353927031 /nfs/dbraw/zinc/92/70/31/353927031.db2.gz HXPWRUFAEQFSSV-VIFPVBQESA-N 1 2 243.257 1.851 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)C(C)(C)C)no1 ZINC000343751337 353972516 /nfs/dbraw/zinc/97/25/16/353972516.db2.gz DFNRRXHYIADOOL-VIFPVBQESA-N 1 2 241.335 1.610 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@H]1CCCO1 ZINC000334548032 353986439 /nfs/dbraw/zinc/98/64/39/353986439.db2.gz LMERNWXOFWBGMS-MEBBXXQBSA-N 1 2 231.361 1.008 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1C[C@H]1CCCO1 ZINC000334548032 353986443 /nfs/dbraw/zinc/98/64/43/353986443.db2.gz LMERNWXOFWBGMS-MEBBXXQBSA-N 1 2 231.361 1.008 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCC2(C)C)[nH+]1 ZINC000343795306 354000046 /nfs/dbraw/zinc/00/00/46/354000046.db2.gz RAZDRVRDUUOBMQ-VIFPVBQESA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@H]2CCC2(C)C)nc(N(C)C)[nH+]1 ZINC000343795306 354000049 /nfs/dbraw/zinc/00/00/49/354000049.db2.gz RAZDRVRDUUOBMQ-VIFPVBQESA-N 1 2 235.335 1.268 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccn1C ZINC000334555753 354000970 /nfs/dbraw/zinc/00/09/70/354000970.db2.gz SLKSCAPJWKCDGC-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccn1C ZINC000334555753 354000973 /nfs/dbraw/zinc/00/09/73/354000973.db2.gz SLKSCAPJWKCDGC-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC000343814475 354012439 /nfs/dbraw/zinc/01/24/39/354012439.db2.gz LFAAAFCVWPIECC-DCAQKATOSA-N 1 2 245.363 1.571 20 0 BDADLO COc1cncc(C[NH2+][C@H](C)c2ccon2)c1 ZINC000343859874 354025148 /nfs/dbraw/zinc/02/51/48/354025148.db2.gz VZRHNJMRYYCAMN-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343937376 354047599 /nfs/dbraw/zinc/04/75/99/354047599.db2.gz YCMDFAMZNWFKGT-FOGDFJRCSA-N 1 2 233.315 1.360 20 0 BDADLO OCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000344008709 354114910 /nfs/dbraw/zinc/11/49/10/354114910.db2.gz ZJKIRFKNZDIXJR-GFCCVEGCSA-N 1 2 246.314 1.256 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccnc1 ZINC000344151336 354156160 /nfs/dbraw/zinc/15/61/60/354156160.db2.gz BIIKOHWOTHTVAO-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000231349015 363343266 /nfs/dbraw/zinc/34/32/66/363343266.db2.gz PSPVBYUDMGNRHD-ZJUUUORDSA-N 1 2 231.361 1.813 20 0 BDADLO Cc1c[nH]c(C[NH+]2CCC(F)(F)CC2)n1 ZINC000529560156 324342332 /nfs/dbraw/zinc/34/23/32/324342332.db2.gz YTHDKLLMCQKNSM-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO Cc1c[nH]c(CN2CCC(F)(F)CC2)[nH+]1 ZINC000529560156 324342338 /nfs/dbraw/zinc/34/23/38/324342338.db2.gz YTHDKLLMCQKNSM-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000627141642 363361929 /nfs/dbraw/zinc/36/19/29/363361929.db2.gz AXSPODKMOAUFPU-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO NC(=O)CC1C[NH+](Cc2ccncc2Cl)C1 ZINC000529607907 324363094 /nfs/dbraw/zinc/36/30/94/324363094.db2.gz JJDPGVWULBSHMX-UHFFFAOYSA-N 1 2 239.706 1.042 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000334596237 354229868 /nfs/dbraw/zinc/22/98/68/354229868.db2.gz MIEYOZXNTJKIDK-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(CC1CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000334596567 354230272 /nfs/dbraw/zinc/23/02/72/354230272.db2.gz PPCMNSFLSYXZHN-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)[nH]n1 ZINC000334597134 354231362 /nfs/dbraw/zinc/23/13/62/354231362.db2.gz OMWUTBLLIGTSAZ-JTQLQIEISA-N 1 2 245.286 1.419 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)n[nH]1 ZINC000334597134 354231366 /nfs/dbraw/zinc/23/13/66/354231366.db2.gz OMWUTBLLIGTSAZ-JTQLQIEISA-N 1 2 245.286 1.419 20 0 BDADLO COC1(C)C[NH+](Cc2cc(C)ns2)C1 ZINC000639180906 354289806 /nfs/dbraw/zinc/28/98/06/354289806.db2.gz PIZTYKUFQCKXDA-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000334610742 354293381 /nfs/dbraw/zinc/29/33/81/354293381.db2.gz HFFJGOTUVNGENK-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000334610742 354293384 /nfs/dbraw/zinc/29/33/84/354293384.db2.gz HFFJGOTUVNGENK-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC(C)(C)[C@@H]1C ZINC000334610742 354293387 /nfs/dbraw/zinc/29/33/87/354293387.db2.gz HFFJGOTUVNGENK-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO c1nc2n(n1)CC[N@@H+](CC1=CCCCC1)C2 ZINC000334620940 354357783 /nfs/dbraw/zinc/35/77/83/354357783.db2.gz BTCINHAVLFPVCQ-UHFFFAOYSA-N 1 2 218.304 1.594 20 0 BDADLO c1nc2n(n1)CC[N@H+](CC1=CCCCC1)C2 ZINC000334620940 354357785 /nfs/dbraw/zinc/35/77/85/354357785.db2.gz BTCINHAVLFPVCQ-UHFFFAOYSA-N 1 2 218.304 1.594 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CS1 ZINC000412612230 191300790 /nfs/dbraw/zinc/30/07/90/191300790.db2.gz VDEPBALMEJNLMM-VHSXEESVSA-N 1 2 239.344 1.283 20 0 BDADLO CSCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334633044 354376945 /nfs/dbraw/zinc/37/69/45/354376945.db2.gz GPWAQUHNNANSHC-UHFFFAOYSA-N 1 2 225.317 1.521 20 0 BDADLO CC(C)[C@H](O)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334642454 354398880 /nfs/dbraw/zinc/39/88/80/354398880.db2.gz VSMFYRATLWTAAU-ZJUUUORDSA-N 1 2 237.303 1.090 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]c(C)n2)[C@H]1C ZINC000344975817 354404235 /nfs/dbraw/zinc/40/42/35/354404235.db2.gz CYCKBFYAWOVKOR-WPRPVWTQSA-N 1 2 235.287 1.173 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1ccns1 ZINC000639190153 354413373 /nfs/dbraw/zinc/41/33/73/354413373.db2.gz LQMGRYLDOYPCAZ-UHFFFAOYSA-N 1 2 248.355 1.894 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000334674253 354416543 /nfs/dbraw/zinc/41/65/43/354416543.db2.gz JLYUMOWULJTGTG-HNNXBMFYSA-N 1 2 243.294 1.782 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(F)(F)F ZINC000334674253 354416546 /nfs/dbraw/zinc/41/65/46/354416546.db2.gz JLYUMOWULJTGTG-HNNXBMFYSA-N 1 2 243.294 1.782 20 0 BDADLO C(c1nnc2n1CCCC2)[NH+]1CCSCC1 ZINC000334674714 354417789 /nfs/dbraw/zinc/41/77/89/354417789.db2.gz RSRUSOHOUPDADD-UHFFFAOYSA-N 1 2 238.360 1.163 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000639189850 354458333 /nfs/dbraw/zinc/45/83/33/354458333.db2.gz JDJZAVZBACQZJY-NSHDSACASA-N 1 2 220.320 1.436 20 0 BDADLO Cn1ncnc1C[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000639189850 354458336 /nfs/dbraw/zinc/45/83/36/354458336.db2.gz JDJZAVZBACQZJY-NSHDSACASA-N 1 2 220.320 1.436 20 0 BDADLO CC(C)(C(=O)N1CC[C@@H]1C1CC1)c1c[nH+]c[nH]1 ZINC000334689926 354478362 /nfs/dbraw/zinc/47/83/62/354478362.db2.gz OHVYHXGUHSBZGK-SNVBAGLBSA-N 1 2 233.315 1.698 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@](F)(CO)C2)n1 ZINC000335925907 134008731 /nfs/dbraw/zinc/00/87/31/134008731.db2.gz MIQZSIHCYXVGRV-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@](F)(CO)C2)n1 ZINC000335925907 134008732 /nfs/dbraw/zinc/00/87/32/134008732.db2.gz MIQZSIHCYXVGRV-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO CC(C)C(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000578061012 366207296 /nfs/dbraw/zinc/20/72/96/366207296.db2.gz AVIBYCKEPUKSPO-UHFFFAOYSA-N 1 2 223.320 1.682 20 0 BDADLO CC/C=C/CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000334705751 354499206 /nfs/dbraw/zinc/49/92/06/354499206.db2.gz JTDLQIFBRIVQBH-ONEGZZNKSA-N 1 2 234.303 1.375 20 0 BDADLO C[C@H](C(=O)Nc1cc[nH+]cc1O)C1CCC1 ZINC000334717225 354516123 /nfs/dbraw/zinc/51/61/23/354516123.db2.gz SVOMNZBFPUIODL-QMMMGPOBSA-N 1 2 220.272 1.584 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)CCCCO1 ZINC000334753317 354574968 /nfs/dbraw/zinc/57/49/68/354574968.db2.gz SHOBKELLEJEPBG-CQSZACIVSA-N 1 2 248.326 1.964 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cs1 ZINC000334766669 354588322 /nfs/dbraw/zinc/58/83/22/354588322.db2.gz DPFCNLDOGUOKKA-SNVBAGLBSA-N 1 2 240.328 1.793 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cs1 ZINC000334766669 354588325 /nfs/dbraw/zinc/58/83/25/354588325.db2.gz DPFCNLDOGUOKKA-SNVBAGLBSA-N 1 2 240.328 1.793 20 0 BDADLO O=C1C[N@H+](Cc2ccc(C3CC3)cc2)CCN1 ZINC000334795360 354549237 /nfs/dbraw/zinc/54/92/37/354549237.db2.gz NLVVLTJRXCSWQB-UHFFFAOYSA-N 1 2 230.311 1.496 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(C3CC3)cc2)CCN1 ZINC000334795360 354549241 /nfs/dbraw/zinc/54/92/41/354549241.db2.gz NLVVLTJRXCSWQB-UHFFFAOYSA-N 1 2 230.311 1.496 20 0 BDADLO COCc1ccc(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000345364100 354634773 /nfs/dbraw/zinc/63/47/73/354634773.db2.gz YGYKXIPERNTTFF-UHFFFAOYSA-N 1 2 248.238 1.201 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@H](F)C1 ZINC000335096449 354636032 /nfs/dbraw/zinc/63/60/32/354636032.db2.gz MTPSKJWELNTEOY-BDAKNGLRSA-N 1 2 225.267 1.554 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@H](F)C1 ZINC000335096449 354636034 /nfs/dbraw/zinc/63/60/34/354636034.db2.gz MTPSKJWELNTEOY-BDAKNGLRSA-N 1 2 225.267 1.554 20 0 BDADLO CC(C)[C@H]1[N@H+](Cc2ncnn2C)CC1(C)C ZINC000639204788 354656252 /nfs/dbraw/zinc/65/62/52/354656252.db2.gz RVRBSCOHMYGRRP-LLVKDONJSA-N 1 2 222.336 1.682 20 0 BDADLO CC(C)[C@H]1[N@@H+](Cc2ncnn2C)CC1(C)C ZINC000639204788 354656254 /nfs/dbraw/zinc/65/62/54/354656254.db2.gz RVRBSCOHMYGRRP-LLVKDONJSA-N 1 2 222.336 1.682 20 0 BDADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCO[C@H]2C[C@H]21 ZINC000639200893 354605417 /nfs/dbraw/zinc/60/54/17/354605417.db2.gz DPYXXRWMIBRKOZ-WOPDTQHZSA-N 1 2 233.315 1.344 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCSCC1 ZINC000335939939 134014139 /nfs/dbraw/zinc/01/41/39/134014139.db2.gz RYNMLAWAXWCNMZ-UHFFFAOYSA-N 1 2 240.376 1.798 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCSCC1 ZINC000335939939 134014140 /nfs/dbraw/zinc/01/41/40/134014140.db2.gz RYNMLAWAXWCNMZ-UHFFFAOYSA-N 1 2 240.376 1.798 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345687969 354732260 /nfs/dbraw/zinc/73/22/60/354732260.db2.gz HVQAIWPGQKCPSQ-DTWKUNHWSA-N 1 2 234.290 1.488 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345690938 354732829 /nfs/dbraw/zinc/73/28/29/354732829.db2.gz CGTNYDQFVHTMKA-NXEZZACHSA-N 1 2 248.317 1.878 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCC[C@H](F)C1 ZINC000335116912 354707183 /nfs/dbraw/zinc/70/71/83/354707183.db2.gz ROUBLTNUTNVZMQ-BDAKNGLRSA-N 1 2 238.262 1.676 20 0 BDADLO CCc1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000345693231 354733671 /nfs/dbraw/zinc/73/36/71/354733671.db2.gz PRDDWEMIXPMQJE-UHFFFAOYSA-N 1 2 241.254 1.880 20 0 BDADLO CN(C)c1ccc(CNC(=O)c2ccc[nH]2)c[nH+]1 ZINC000345606584 354728329 /nfs/dbraw/zinc/72/83/29/354728329.db2.gz CMOMACRRCBQGNF-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CCOC2)cc[nH+]1 ZINC000335136342 354785984 /nfs/dbraw/zinc/78/59/84/354785984.db2.gz WUNIRXDDQCGOKE-LBPRGKRZSA-N 1 2 220.272 1.177 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CCOC2)cc[nH+]1 ZINC000335136341 354786172 /nfs/dbraw/zinc/78/61/72/354786172.db2.gz WUNIRXDDQCGOKE-GFCCVEGCSA-N 1 2 220.272 1.177 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000345891421 354799323 /nfs/dbraw/zinc/79/93/23/354799323.db2.gz SKWVYTHJUAIADR-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000345891421 354799325 /nfs/dbraw/zinc/79/93/25/354799325.db2.gz SKWVYTHJUAIADR-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO O=S1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000335142823 354849581 /nfs/dbraw/zinc/84/95/81/354849581.db2.gz CUTQWFAYXHOGFC-NSHDSACASA-N 1 2 231.361 1.010 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC000639216772 354858035 /nfs/dbraw/zinc/85/80/35/354858035.db2.gz BQWKUXZTTMDZNE-LBPRGKRZSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC000639216772 354858038 /nfs/dbraw/zinc/85/80/38/354858038.db2.gz BQWKUXZTTMDZNE-LBPRGKRZSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H]1COCC[N@@H+]1[C@H](c1nccn1C)C1CC1 ZINC000639217638 354865928 /nfs/dbraw/zinc/86/59/28/354865928.db2.gz INNUPFWWNYZBJP-JQWIXIFHSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@H]1COCC[N@H+]1[C@H](c1nccn1C)C1CC1 ZINC000639217638 354865933 /nfs/dbraw/zinc/86/59/33/354865933.db2.gz INNUPFWWNYZBJP-JQWIXIFHSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@H]([NH2+]Cc1cscn1)c1ccnn1C ZINC000235504000 363447043 /nfs/dbraw/zinc/44/70/43/363447043.db2.gz OUMHQWNBOLITNC-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)[nH]n1 ZINC000346398823 354910272 /nfs/dbraw/zinc/91/02/72/354910272.db2.gz NSPSHKNIWYKZLK-UHFFFAOYSA-N 1 2 247.302 1.528 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](CO)[C@H]1C ZINC000335168489 354929583 /nfs/dbraw/zinc/92/95/83/354929583.db2.gz GYADQMKJCVCCRT-MNOVXSKESA-N 1 2 249.314 1.047 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172064 354936756 /nfs/dbraw/zinc/93/67/56/354936756.db2.gz AMCNKSMPEYOLTJ-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172064 354936758 /nfs/dbraw/zinc/93/67/58/354936758.db2.gz AMCNKSMPEYOLTJ-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000623201811 354954439 /nfs/dbraw/zinc/95/44/39/354954439.db2.gz JOAIFDXFYXZYJY-GXSJLCMTSA-N 1 2 233.315 1.772 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCCn1cccn1 ZINC000346560653 354968275 /nfs/dbraw/zinc/96/82/75/354968275.db2.gz JEDRNGOGDMJPRY-UHFFFAOYSA-N 1 2 247.302 1.045 20 0 BDADLO Cc1cc(NCCOc2ccc(F)cc2)nc[nH+]1 ZINC000346597834 354988410 /nfs/dbraw/zinc/98/84/10/354988410.db2.gz WSOKMVJAZXCSDY-UHFFFAOYSA-N 1 2 247.273 1.837 20 0 BDADLO C[C@H](CO)SCc1c[nH+]c2ccccn12 ZINC000346608209 354991676 /nfs/dbraw/zinc/99/16/76/354991676.db2.gz LIKAUQMYBDBIJO-SECBINFHSA-N 1 2 222.313 1.948 20 0 BDADLO CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335184121 355082651 /nfs/dbraw/zinc/08/26/51/355082651.db2.gz RHHBDZDERLLWHX-UHFFFAOYSA-N 1 2 204.233 1.476 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)cn2)[C@H](C)C1=O ZINC000335218749 355058071 /nfs/dbraw/zinc/05/80/71/355058071.db2.gz DPUIMIGXDMSKMP-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)cn2)[C@H](C)C1=O ZINC000335218749 355058074 /nfs/dbraw/zinc/05/80/74/355058074.db2.gz DPUIMIGXDMSKMP-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC[N@H+](CCOC1CCC1)Cc1cn(C)nn1 ZINC000346947586 355161254 /nfs/dbraw/zinc/16/12/54/355161254.db2.gz OVXVCTYENMIAMQ-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC[N@@H+](CCOC1CCC1)Cc1cn(C)nn1 ZINC000346947586 355161256 /nfs/dbraw/zinc/16/12/56/355161256.db2.gz OVXVCTYENMIAMQ-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000335249231 355168231 /nfs/dbraw/zinc/16/82/31/355168231.db2.gz IYVVXKPPOHXAIP-APPZFPTMSA-N 1 2 225.317 1.154 20 0 BDADLO CC[C@@H](NC(=O)c1cc(F)c[nH]1)c1[nH]cc[nH+]1 ZINC000346905243 355149912 /nfs/dbraw/zinc/14/99/12/355149912.db2.gz KYVDNTUYAZBREV-MRVPVSSYSA-N 1 2 236.250 1.758 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC000346978238 355212826 /nfs/dbraw/zinc/21/28/26/355212826.db2.gz KVFLLDNZJSWXDJ-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO CC(C)[C@@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413154269 191357096 /nfs/dbraw/zinc/35/70/96/191357096.db2.gz NGZCWOWSRCTSDH-JTQLQIEISA-N 1 2 236.319 1.480 20 0 BDADLO CC(C)[C@@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413154269 191357099 /nfs/dbraw/zinc/35/70/99/191357099.db2.gz NGZCWOWSRCTSDH-JTQLQIEISA-N 1 2 236.319 1.480 20 0 BDADLO CO[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413169432 191359689 /nfs/dbraw/zinc/35/96/89/191359689.db2.gz KUWPIBJHGYYPEZ-SNVBAGLBSA-N 1 2 234.303 1.276 20 0 BDADLO CO[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413169432 191359691 /nfs/dbraw/zinc/35/96/91/191359691.db2.gz KUWPIBJHGYYPEZ-SNVBAGLBSA-N 1 2 234.303 1.276 20 0 BDADLO Cc1cc(N)nc(SCCn2cccn2)[nH+]1 ZINC000063533840 324616938 /nfs/dbraw/zinc/61/69/38/324616938.db2.gz AWFZMKRAVIJFNG-UHFFFAOYSA-N 1 2 235.316 1.356 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347627689 355240174 /nfs/dbraw/zinc/24/01/74/355240174.db2.gz WBKDNMDKPXDQST-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347627689 355240175 /nfs/dbraw/zinc/24/01/75/355240175.db2.gz WBKDNMDKPXDQST-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347626159 355240214 /nfs/dbraw/zinc/24/02/14/355240214.db2.gz JUPKBERBWQKJHZ-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347626159 355240220 /nfs/dbraw/zinc/24/02/20/355240220.db2.gz JUPKBERBWQKJHZ-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CC[C@@H]1C[N@H+](CCNC(=O)CC2CC2)CCO1 ZINC000347632458 355241658 /nfs/dbraw/zinc/24/16/58/355241658.db2.gz PQUSILIKHKRAGY-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1C[N@@H+](CCNC(=O)CC2CC2)CCO1 ZINC000347632458 355241662 /nfs/dbraw/zinc/24/16/62/355241662.db2.gz PQUSILIKHKRAGY-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]2C(C)C)[nH+]1 ZINC000413443563 191385032 /nfs/dbraw/zinc/38/50/32/191385032.db2.gz WCVMTCREZCCDRC-VHSXEESVSA-N 1 2 235.335 1.124 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2C(C)C)nc(N(C)C)[nH+]1 ZINC000413443563 191385035 /nfs/dbraw/zinc/38/50/35/191385035.db2.gz WCVMTCREZCCDRC-VHSXEESVSA-N 1 2 235.335 1.124 20 0 BDADLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccn(C)n1 ZINC000347675751 355261513 /nfs/dbraw/zinc/26/15/13/355261513.db2.gz LIRMYUITKYCLQN-SNVBAGLBSA-N 1 2 233.319 1.347 20 0 BDADLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccn(C)n1 ZINC000347675751 355261514 /nfs/dbraw/zinc/26/15/14/355261514.db2.gz LIRMYUITKYCLQN-SNVBAGLBSA-N 1 2 233.319 1.347 20 0 BDADLO CC1(O)CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347674601 355261761 /nfs/dbraw/zinc/26/17/61/355261761.db2.gz FSNGZTGXRUZCEH-UHFFFAOYSA-N 1 2 245.273 1.625 20 0 BDADLO CC(C)(CCNc1cccc[nH+]1)S(C)(=O)=O ZINC000413522919 191393235 /nfs/dbraw/zinc/39/32/35/191393235.db2.gz RKGRPMCXHVCLAS-UHFFFAOYSA-N 1 2 242.344 1.707 20 0 BDADLO CC[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000413196611 191362483 /nfs/dbraw/zinc/36/24/83/191362483.db2.gz AAHWVWCDYIMOKK-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000413196611 191362485 /nfs/dbraw/zinc/36/24/85/191362485.db2.gz AAHWVWCDYIMOKK-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO CO[C@H](C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413263208 191366693 /nfs/dbraw/zinc/36/66/93/191366693.db2.gz VDKYIJQXWHRJJH-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO CO[C@H](C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413263208 191366694 /nfs/dbraw/zinc/36/66/94/191366694.db2.gz VDKYIJQXWHRJJH-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO CC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)[C@H](C)O ZINC000413308654 191371591 /nfs/dbraw/zinc/37/15/91/191371591.db2.gz ADPDMJDUFPVUKV-WCBMZHEXSA-N 1 2 236.319 1.622 20 0 BDADLO CC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)[C@H](C)O ZINC000413308654 191371594 /nfs/dbraw/zinc/37/15/94/191371594.db2.gz ADPDMJDUFPVUKV-WCBMZHEXSA-N 1 2 236.319 1.622 20 0 BDADLO COCc1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC000639253511 355291336 /nfs/dbraw/zinc/29/13/36/355291336.db2.gz IDCIUSDYALAUKV-UHFFFAOYSA-N 1 2 221.300 1.400 20 0 BDADLO CCN(C)c1ccc(C[NH+]2CC(C)(O)C2)cn1 ZINC000639253819 355293117 /nfs/dbraw/zinc/29/31/17/355293117.db2.gz RLHLJAFFWZQWDQ-UHFFFAOYSA-N 1 2 235.331 1.104 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000639268185 355327698 /nfs/dbraw/zinc/32/76/98/355327698.db2.gz VVVDPGJZWVVFCB-NXEZZACHSA-N 1 2 226.299 1.668 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349234995 355372141 /nfs/dbraw/zinc/37/21/41/355372141.db2.gz FLYAHLPJXHCBBG-ZJUUUORDSA-N 1 2 239.319 1.486 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2ccon2)c1 ZINC000349237238 355373143 /nfs/dbraw/zinc/37/31/43/355373143.db2.gz DYPVWHHOTZQGCI-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)NC(C)(C)C ZINC000349241431 355373893 /nfs/dbraw/zinc/37/38/93/355373893.db2.gz NFNYXWFUFKZLQQ-RKDXNWHRSA-N 1 2 239.319 1.628 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CC2(C)C)n1C ZINC000335775836 355400727 /nfs/dbraw/zinc/40/07/27/355400727.db2.gz NFBKJEZTWWYAQW-VIFPVBQESA-N 1 2 208.309 1.354 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CC2(C)C)n1C ZINC000335775836 355400730 /nfs/dbraw/zinc/40/07/30/355400730.db2.gz NFBKJEZTWWYAQW-VIFPVBQESA-N 1 2 208.309 1.354 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2)o1 ZINC000349834385 355490426 /nfs/dbraw/zinc/49/04/26/355490426.db2.gz WYLBUORFJPMHDL-UHFFFAOYSA-N 1 2 244.294 1.864 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2)o1 ZINC000349834385 355490431 /nfs/dbraw/zinc/49/04/31/355490431.db2.gz WYLBUORFJPMHDL-UHFFFAOYSA-N 1 2 244.294 1.864 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCSC1 ZINC000335812367 355499326 /nfs/dbraw/zinc/49/93/26/355499326.db2.gz RDBBAJSQBXMNLM-VIFPVBQESA-N 1 2 222.313 1.504 20 0 BDADLO FC1(F)COCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000335794990 355450232 /nfs/dbraw/zinc/45/02/32/355450232.db2.gz OHFOMZYFPJHBMM-JTQLQIEISA-N 1 2 235.274 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000335794990 355450235 /nfs/dbraw/zinc/45/02/35/355450235.db2.gz OHFOMZYFPJHBMM-JTQLQIEISA-N 1 2 235.274 1.381 20 0 BDADLO C(c1nc(C2CC2)no1)[NH+]1CCC2(CCO2)CC1 ZINC000367100930 355456727 /nfs/dbraw/zinc/45/67/27/355456727.db2.gz RBBBZYNWWMPNMQ-UHFFFAOYSA-N 1 2 249.314 1.702 20 0 BDADLO Cc1cc(N2CCSC[C@H]2C)nc[nH+]1 ZINC000336000035 134044124 /nfs/dbraw/zinc/04/41/24/134044124.db2.gz LXRHKHXXMYWWHQ-SECBINFHSA-N 1 2 209.318 1.727 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335821396 355540168 /nfs/dbraw/zinc/54/01/68/355540168.db2.gz DMDUXXPYLCECTH-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335821396 355540171 /nfs/dbraw/zinc/54/01/71/355540171.db2.gz DMDUXXPYLCECTH-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CCc1cc[nH+]cc1NCc1ncnn1CC ZINC000639293854 355547232 /nfs/dbraw/zinc/54/72/32/355547232.db2.gz HFVIZEPHPCYZTN-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO OC1(C(F)F)CCN(c2cccc[nH+]2)CC1 ZINC000335816543 355507036 /nfs/dbraw/zinc/50/70/36/355507036.db2.gz UPYHLXMBZPZUHZ-UHFFFAOYSA-N 1 2 228.242 1.678 20 0 BDADLO CC(C)Cc1noc(CCn2cc[nH+]c2)n1 ZINC000349860629 355508742 /nfs/dbraw/zinc/50/87/42/355508742.db2.gz LOEFGHLMPQYONS-UHFFFAOYSA-N 1 2 220.276 1.707 20 0 BDADLO C[NH2+]Cc1noc(Cc2cc(F)ccc2F)n1 ZINC000349917375 355526559 /nfs/dbraw/zinc/52/65/59/355526559.db2.gz ZSGPVHANRJMIKK-UHFFFAOYSA-N 1 2 239.225 1.658 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335855998 355600752 /nfs/dbraw/zinc/60/07/52/355600752.db2.gz SINUPAMDWNWBBY-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335855998 355600754 /nfs/dbraw/zinc/60/07/54/355600754.db2.gz SINUPAMDWNWBBY-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000335873543 355641204 /nfs/dbraw/zinc/64/12/04/355641204.db2.gz ICKINQNGZVZVCG-ZJUUUORDSA-N 1 2 236.319 1.408 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccnc(C)n1 ZINC000350242710 355654363 /nfs/dbraw/zinc/65/43/63/355654363.db2.gz UQTNLTOFSZZTAF-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccnc(C)n1 ZINC000350242710 355654365 /nfs/dbraw/zinc/65/43/65/355654365.db2.gz UQTNLTOFSZZTAF-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO c1coc([C@@H]2C[N@H+](Cc3ccno3)CCO2)c1 ZINC000335861908 355625266 /nfs/dbraw/zinc/62/52/66/355625266.db2.gz PEDDLLBNOSVLED-LBPRGKRZSA-N 1 2 234.255 1.841 20 0 BDADLO c1coc([C@@H]2C[N@@H+](Cc3ccno3)CCO2)c1 ZINC000335861908 355625267 /nfs/dbraw/zinc/62/52/67/355625267.db2.gz PEDDLLBNOSVLED-LBPRGKRZSA-N 1 2 234.255 1.841 20 0 BDADLO CCc1nc(C(=O)N2CC[NH+](CC)CC2)co1 ZINC000335868089 355633761 /nfs/dbraw/zinc/63/37/61/355633761.db2.gz QYJCVBUAFYTZDG-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CC[C@](C)(C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320670 355721335 /nfs/dbraw/zinc/72/13/35/355721335.db2.gz GKNSIVXYVWWVLA-GFCCVEGCSA-N 1 2 223.320 1.551 20 0 BDADLO CC[C@](C)(C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320670 355721337 /nfs/dbraw/zinc/72/13/37/355721337.db2.gz GKNSIVXYVWWVLA-GFCCVEGCSA-N 1 2 223.320 1.551 20 0 BDADLO CO[C@](C)(c1noc(C[NH+](C)C)n1)C1CC1 ZINC000350428062 355704219 /nfs/dbraw/zinc/70/42/19/355704219.db2.gz HZWNETOVLWSBPQ-NSHDSACASA-N 1 2 225.292 1.403 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320962 355722132 /nfs/dbraw/zinc/72/21/32/355722132.db2.gz QLSUTLMUJWKULW-MFKMUULPSA-N 1 2 237.347 1.797 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320962 355722135 /nfs/dbraw/zinc/72/21/35/355722135.db2.gz QLSUTLMUJWKULW-MFKMUULPSA-N 1 2 237.347 1.797 20 0 BDADLO CO[C@@H](C[N@@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639321137 355722432 /nfs/dbraw/zinc/72/24/32/355722432.db2.gz IAFMDNJMFPLCCT-LBPRGKRZSA-N 1 2 221.304 1.161 20 0 BDADLO CO[C@@H](C[N@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639321137 355722435 /nfs/dbraw/zinc/72/24/35/355722435.db2.gz IAFMDNJMFPLCCT-LBPRGKRZSA-N 1 2 221.304 1.161 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCCSCC2)no1 ZINC000336009294 134050034 /nfs/dbraw/zinc/05/00/34/134050034.db2.gz DMJISOSFGOHHDZ-QMMMGPOBSA-N 1 2 227.333 1.878 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCCSCC2)no1 ZINC000336009294 134050035 /nfs/dbraw/zinc/05/00/35/134050035.db2.gz DMJISOSFGOHHDZ-QMMMGPOBSA-N 1 2 227.333 1.878 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000639317874 355713849 /nfs/dbraw/zinc/71/38/49/355713849.db2.gz QQUDGEFZCMFZFL-GFCCVEGCSA-N 1 2 244.298 1.298 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000350699739 355743453 /nfs/dbraw/zinc/74/34/53/355743453.db2.gz LSLUQTIMKBLRFM-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000350699739 355743457 /nfs/dbraw/zinc/74/34/57/355743457.db2.gz LSLUQTIMKBLRFM-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(C)cc1F ZINC000639332913 355759674 /nfs/dbraw/zinc/75/96/74/355759674.db2.gz QXOKKNYKGKOVRE-UHFFFAOYSA-N 1 2 224.279 1.312 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(C)cc1F ZINC000639332913 355759675 /nfs/dbraw/zinc/75/96/75/355759675.db2.gz QXOKKNYKGKOVRE-UHFFFAOYSA-N 1 2 224.279 1.312 20 0 BDADLO Cc1nc(C[N@H+](C)CCC[C@H]2CCO2)no1 ZINC000639333160 355761390 /nfs/dbraw/zinc/76/13/90/355761390.db2.gz UCQPAKTYNSQGPS-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(C[N@@H+](C)CCC[C@H]2CCO2)no1 ZINC000639333160 355761392 /nfs/dbraw/zinc/76/13/92/355761392.db2.gz UCQPAKTYNSQGPS-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1c[nH+]c(CN2CC(CC(F)F)C2)n1C ZINC000425363092 191822699 /nfs/dbraw/zinc/82/26/99/191822699.db2.gz AMNMZWNAGJTJIZ-UHFFFAOYSA-N 1 2 229.274 1.816 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cc(OC)no1 ZINC000639325387 355727425 /nfs/dbraw/zinc/72/74/25/355727425.db2.gz WXPXMUNVGGDWAT-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N1CCn2cc[nH+]c2C1 ZINC000336015509 134053159 /nfs/dbraw/zinc/05/31/59/134053159.db2.gz VHSLIVUSMWKOGU-VHSXEESVSA-N 1 2 219.288 1.271 20 0 BDADLO CC1(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)COC1 ZINC000608497544 355824212 /nfs/dbraw/zinc/82/42/12/355824212.db2.gz DJICAGCKHCXGGW-QMMMGPOBSA-N 1 2 239.237 1.286 20 0 BDADLO CC1(C[N@H+]2CCO[C@H](C(F)(F)F)C2)COC1 ZINC000608497544 355824213 /nfs/dbraw/zinc/82/42/13/355824213.db2.gz DJICAGCKHCXGGW-QMMMGPOBSA-N 1 2 239.237 1.286 20 0 BDADLO CCc1cnc(C[N@H+](CCCO)C2CC2)o1 ZINC000608497914 355824906 /nfs/dbraw/zinc/82/49/06/355824906.db2.gz QXCJCOGGNNOGND-UHFFFAOYSA-N 1 2 224.304 1.584 20 0 BDADLO CCc1cnc(C[N@@H+](CCCO)C2CC2)o1 ZINC000608497914 355824908 /nfs/dbraw/zinc/82/49/08/355824908.db2.gz QXCJCOGGNNOGND-UHFFFAOYSA-N 1 2 224.304 1.584 20 0 BDADLO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363513 355848137 /nfs/dbraw/zinc/84/81/37/355848137.db2.gz NCPFBKVOYWYRLL-GHMZBOCLSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363513 355848140 /nfs/dbraw/zinc/84/81/40/355848140.db2.gz NCPFBKVOYWYRLL-GHMZBOCLSA-N 1 2 208.309 1.863 20 0 BDADLO CC(C)(C)OC1CC([NH2+]Cc2c[nH]nn2)C1 ZINC000628363495 355848235 /nfs/dbraw/zinc/84/82/35/355848235.db2.gz MLBKOUMOGNQTLI-UHFFFAOYSA-N 1 2 224.308 1.240 20 0 BDADLO CC(C)(C)OC1CC([NH2+]Cc2cn[nH]n2)C1 ZINC000628363495 355848238 /nfs/dbraw/zinc/84/82/38/355848238.db2.gz MLBKOUMOGNQTLI-UHFFFAOYSA-N 1 2 224.308 1.240 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1cc2cnccc2o1 ZINC000628364104 355851175 /nfs/dbraw/zinc/85/11/75/355851175.db2.gz MDSHENWCWKQNTI-QMMMGPOBSA-N 1 2 243.270 1.797 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCC12CC2 ZINC000623254338 355853040 /nfs/dbraw/zinc/85/30/40/355853040.db2.gz ZDCKTCFXONMUAT-JQWIXIFHSA-N 1 2 245.326 1.504 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1ccc(O)cc1 ZINC000227542124 491085037 /nfs/dbraw/zinc/08/50/37/491085037.db2.gz YPDBODCRFGUIJM-UHFFFAOYSA-N 1 2 217.215 1.109 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000623255189 355856705 /nfs/dbraw/zinc/85/67/05/355856705.db2.gz SURGOGMRVJWMNR-WFFHOREQSA-N 1 2 245.326 1.360 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@H]1C1CCC1 ZINC000623254982 355856722 /nfs/dbraw/zinc/85/67/22/355856722.db2.gz DDHSEHQQCOTWRM-WCFLWFBJSA-N 1 2 245.326 1.360 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@H]1C1CCC1 ZINC000623254981 355856938 /nfs/dbraw/zinc/85/69/38/355856938.db2.gz DDHSEHQQCOTWRM-KGYLQXTDSA-N 1 2 245.326 1.360 20 0 BDADLO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCOCC1 ZINC000191870721 355857632 /nfs/dbraw/zinc/85/76/32/355857632.db2.gz SLJLLGJDLPKAPX-CYBMUJFWSA-N 1 2 246.310 1.272 20 0 BDADLO NC(=O)C1([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000352880389 181215503 /nfs/dbraw/zinc/21/55/03/181215503.db2.gz BYCKQPSIEJEMMN-UHFFFAOYSA-N 1 2 240.690 1.153 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000608591958 355872166 /nfs/dbraw/zinc/87/21/66/355872166.db2.gz YWGMMUKNKDXIRN-TXEJJXNPSA-N 1 2 249.314 1.053 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2cc[nH]n2)C1 ZINC000639379247 355914594 /nfs/dbraw/zinc/91/45/94/355914594.db2.gz GLGOXTAWTVMYNE-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO COCC1(C2CC2)CN(Cc2c[nH+]c(C)n2C)C1 ZINC000639383061 355936942 /nfs/dbraw/zinc/93/69/42/355936942.db2.gz PNEDGMOBYCDUQA-UHFFFAOYSA-N 1 2 249.358 1.587 20 0 BDADLO CCc1cc(CNCc2[nH]cc[nH+]2)on1 ZINC000309065519 355990413 /nfs/dbraw/zinc/99/04/13/355990413.db2.gz ZAWKTUDIYVOUMN-UHFFFAOYSA-N 1 2 206.249 1.250 20 0 BDADLO CC[N@H+](C[C@H](C)O)[C@H](C)c1noc(C)n1 ZINC000352114802 134070126 /nfs/dbraw/zinc/07/01/26/134070126.db2.gz DBHTXTHGBUWXHF-JGVFFNPUSA-N 1 2 213.281 1.142 20 0 BDADLO CC[N@@H+](C[C@H](C)O)[C@H](C)c1noc(C)n1 ZINC000352114802 134070127 /nfs/dbraw/zinc/07/01/27/134070127.db2.gz DBHTXTHGBUWXHF-JGVFFNPUSA-N 1 2 213.281 1.142 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351103906 355948025 /nfs/dbraw/zinc/94/80/25/355948025.db2.gz SHWUJDJJZMGPAH-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351103906 355948026 /nfs/dbraw/zinc/94/80/26/355948026.db2.gz SHWUJDJJZMGPAH-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000351505989 356005061 /nfs/dbraw/zinc/00/50/61/356005061.db2.gz QRMZWSGTPSXIOO-GZMMTYOYSA-N 1 2 233.315 1.479 20 0 BDADLO COCCC[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000351664890 356049277 /nfs/dbraw/zinc/04/92/77/356049277.db2.gz JVRBCFUKGRLGSC-VIFPVBQESA-N 1 2 238.287 1.210 20 0 BDADLO CC(C)CCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257128 356017357 /nfs/dbraw/zinc/01/73/57/356017357.db2.gz DZEXASVEPSMMOY-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC(C)(C)[C@H]2C)cn1 ZINC000351872523 356106190 /nfs/dbraw/zinc/10/61/90/356106190.db2.gz DHFZYYKMWBILCK-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC(C)(C)[C@H]2C)cn1 ZINC000351872523 356106194 /nfs/dbraw/zinc/10/61/94/356106194.db2.gz DHFZYYKMWBILCK-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H](C)[N@H+](C)Cc1noc(CCOC)n1 ZINC000351714266 356067872 /nfs/dbraw/zinc/06/78/72/356067872.db2.gz BRMPJWCOHURHSM-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO CC[C@H](C)[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351714266 356067876 /nfs/dbraw/zinc/06/78/76/356067876.db2.gz BRMPJWCOHURHSM-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO C[C@H]1CCCC[C@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418084786 191965080 /nfs/dbraw/zinc/96/50/80/191965080.db2.gz RLZNESGVZXJPLT-QWRGUYRKSA-N 1 2 245.388 1.542 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261477 356152335 /nfs/dbraw/zinc/15/23/35/356152335.db2.gz TZORACGUXRDFIW-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO CCC(C)(CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262229 356162571 /nfs/dbraw/zinc/16/25/71/356162571.db2.gz UAFXOUNECGPUNT-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)NC(=O)CC[N@H+](C)Cc1ccon1 ZINC000351903164 356174738 /nfs/dbraw/zinc/17/47/38/356174738.db2.gz KYXUXOWIJTVWPN-UHFFFAOYSA-N 1 2 225.292 1.021 20 0 BDADLO CC(C)NC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000351903164 356174743 /nfs/dbraw/zinc/17/47/43/356174743.db2.gz KYXUXOWIJTVWPN-UHFFFAOYSA-N 1 2 225.292 1.021 20 0 BDADLO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCNC(=O)C1 ZINC000336097112 134080411 /nfs/dbraw/zinc/08/04/11/134080411.db2.gz PSQHTTGQNQOKLU-LLVKDONJSA-N 1 2 244.338 1.668 20 0 BDADLO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCNC(=O)C1 ZINC000336097112 134080412 /nfs/dbraw/zinc/08/04/12/134080412.db2.gz PSQHTTGQNQOKLU-LLVKDONJSA-N 1 2 244.338 1.668 20 0 BDADLO CC(C)CC(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623264555 356236046 /nfs/dbraw/zinc/23/60/46/356236046.db2.gz OKFWMRFQNPBRGO-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO O=C(CCC1CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265042 356231381 /nfs/dbraw/zinc/23/13/81/356231381.db2.gz ZPZFTMSDDQPXFY-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO Cc1ccc(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)o1 ZINC000623263604 356202680 /nfs/dbraw/zinc/20/26/80/356202680.db2.gz RMYAFQPFXACEQH-SNVBAGLBSA-N 1 2 245.282 1.068 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCS[C@H](C)C2)[nH]1 ZINC000336111571 134086611 /nfs/dbraw/zinc/08/66/11/134086611.db2.gz IAHDGMBWCGDOEI-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCS[C@H](C)C2)[nH]1 ZINC000336111571 134086612 /nfs/dbraw/zinc/08/66/12/134086612.db2.gz IAHDGMBWCGDOEI-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000336114708 134087562 /nfs/dbraw/zinc/08/75/62/134087562.db2.gz SZGKEQMSRVLZDZ-CQSZACIVSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000336114708 134087563 /nfs/dbraw/zinc/08/75/63/134087563.db2.gz SZGKEQMSRVLZDZ-CQSZACIVSA-N 1 2 249.358 1.967 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000617637932 356238970 /nfs/dbraw/zinc/23/89/70/356238970.db2.gz DEDYEUALDFWJGS-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000617637932 356238972 /nfs/dbraw/zinc/23/89/72/356238972.db2.gz DEDYEUALDFWJGS-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000617638545 356242338 /nfs/dbraw/zinc/24/23/38/356242338.db2.gz PQVGYNBUINZPPI-VXGBXAGGSA-N 1 2 249.358 1.998 20 0 BDADLO COCCC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639460793 356244352 /nfs/dbraw/zinc/24/43/52/356244352.db2.gz LQKQRTGDGZIKEL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639460793 356244355 /nfs/dbraw/zinc/24/43/55/356244355.db2.gz LQKQRTGDGZIKEL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000639460865 356244589 /nfs/dbraw/zinc/24/45/89/356244589.db2.gz NFHPERHMNKRARM-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639460865 356244595 /nfs/dbraw/zinc/24/45/95/356244595.db2.gz NFHPERHMNKRARM-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO CC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000639459575 356247338 /nfs/dbraw/zinc/24/73/38/356247338.db2.gz PWVAAVLHRJHNAK-ZDUSSCGKSA-N 1 2 237.299 1.850 20 0 BDADLO CC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000639459575 356247339 /nfs/dbraw/zinc/24/73/39/356247339.db2.gz PWVAAVLHRJHNAK-ZDUSSCGKSA-N 1 2 237.299 1.850 20 0 BDADLO CC(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000639459867 356247784 /nfs/dbraw/zinc/24/77/84/356247784.db2.gz CUJOYZRBEIENPP-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000639459867 356247788 /nfs/dbraw/zinc/24/77/88/356247788.db2.gz CUJOYZRBEIENPP-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO CC[C@@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000617640245 356248579 /nfs/dbraw/zinc/24/85/79/356248579.db2.gz WNDLTEFKZLVXCA-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CCC(F)(F)C[N@H+](CCCO)C1CC1 ZINC000639492603 356313422 /nfs/dbraw/zinc/31/34/22/356313422.db2.gz DCYZOVGDKWGKGX-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@@H+](CCCO)C1CC1 ZINC000639492603 356313424 /nfs/dbraw/zinc/31/34/24/356313424.db2.gz DCYZOVGDKWGKGX-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623267153 356318982 /nfs/dbraw/zinc/31/89/82/356318982.db2.gz LMGIBCDERJFPEO-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000639514233 356347533 /nfs/dbraw/zinc/34/75/33/356347533.db2.gz CYBONPFNDWQYMO-UHFFFAOYSA-N 1 2 214.696 1.699 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000639514233 356347535 /nfs/dbraw/zinc/34/75/35/356347535.db2.gz CYBONPFNDWQYMO-UHFFFAOYSA-N 1 2 214.696 1.699 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1[nH+]c2ccc(F)cc2n1C ZINC000336132159 134094426 /nfs/dbraw/zinc/09/44/26/134094426.db2.gz BFQKYZVADHHEDW-PSASIEDQSA-N 1 2 249.289 1.672 20 0 BDADLO CCC(F)(F)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000639534722 356387304 /nfs/dbraw/zinc/38/73/04/356387304.db2.gz CFYRZRNKLVCZCY-SSDOTTSWSA-N 1 2 222.279 1.521 20 0 BDADLO Cc1ncc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)s1 ZINC000623269609 356370520 /nfs/dbraw/zinc/37/05/20/356370520.db2.gz OXXBHHLUALBRAU-MRVPVSSYSA-N 1 2 248.311 1.003 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccon1 ZINC000365486927 181274411 /nfs/dbraw/zinc/27/44/11/181274411.db2.gz VLHVMLNSVLEJPX-JLLWLGSASA-N 1 2 249.314 1.293 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccon1 ZINC000365486927 181274413 /nfs/dbraw/zinc/27/44/13/181274413.db2.gz VLHVMLNSVLEJPX-JLLWLGSASA-N 1 2 249.314 1.293 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(N(C)C)no1 ZINC000532318401 356414481 /nfs/dbraw/zinc/41/44/81/356414481.db2.gz BPUAPMYAUDULMK-YUMQZZPRSA-N 1 2 210.281 1.118 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278818 356427754 /nfs/dbraw/zinc/42/77/54/356427754.db2.gz DWSSUFBUJPLFMO-QWRGUYRKSA-N 1 2 231.299 1.280 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)n1C)C[C@H](C)O ZINC000352219406 134108713 /nfs/dbraw/zinc/10/87/13/134108713.db2.gz CSZWWKSUVHJHPY-JTQLQIEISA-N 1 2 240.351 1.141 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)n1C)C[C@H](C)O ZINC000352219406 134108714 /nfs/dbraw/zinc/10/87/14/134108714.db2.gz CSZWWKSUVHJHPY-JTQLQIEISA-N 1 2 240.351 1.141 20 0 BDADLO CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000420618122 192249599 /nfs/dbraw/zinc/24/95/99/192249599.db2.gz CDZJUBISNBECAR-LBPRGKRZSA-N 1 2 248.330 1.117 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC[C@@H](C)C2)[nH]1 ZINC000190475560 356445975 /nfs/dbraw/zinc/44/59/75/356445975.db2.gz PDFGKCBHKJEELP-VIFPVBQESA-N 1 2 240.376 1.552 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC[C@@H](C)C2)[nH]1 ZINC000190475560 356445978 /nfs/dbraw/zinc/44/59/78/356445978.db2.gz PDFGKCBHKJEELP-VIFPVBQESA-N 1 2 240.376 1.552 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000623282353 356467486 /nfs/dbraw/zinc/46/74/86/356467486.db2.gz UOUOKFPLSZWWOT-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO CCCN1C[C@H](CNc2cccc[nH+]2)CC1=O ZINC000420650477 192254849 /nfs/dbraw/zinc/25/48/49/192254849.db2.gz HYBUZVMKAQFIER-NSHDSACASA-N 1 2 233.315 1.752 20 0 BDADLO C[N@H+](Cc1ncccn1)[C@H]1CCCOC1 ZINC000352232085 134113000 /nfs/dbraw/zinc/11/30/00/134113000.db2.gz TYNBNEAFLDWMTN-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO C[N@@H+](Cc1ncccn1)[C@H]1CCCOC1 ZINC000352232085 134113001 /nfs/dbraw/zinc/11/30/01/134113001.db2.gz TYNBNEAFLDWMTN-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336165782 134113050 /nfs/dbraw/zinc/11/30/50/134113050.db2.gz UVXJGDWCXWAFDZ-SNVBAGLBSA-N 1 2 233.315 1.362 20 0 BDADLO CC[N@H+](CCCO)Cc1nn(C)cc1Cl ZINC000420917580 192272808 /nfs/dbraw/zinc/27/28/08/192272808.db2.gz SSSOPPYRRDDDIZ-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CC[N@@H+](CCCO)Cc1nn(C)cc1Cl ZINC000420917580 192272811 /nfs/dbraw/zinc/27/28/11/192272811.db2.gz SSSOPPYRRDDDIZ-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CC[C@H](C)CNC(=O)NCc1[nH+]ccn1CC ZINC000420849346 192263674 /nfs/dbraw/zinc/26/36/74/192263674.db2.gz SXNUEWSSCDFUMR-JTQLQIEISA-N 1 2 238.335 1.748 20 0 BDADLO C[C@H]1C[C@H](c2nc(Cc3c[nH+]cn3C)no2)CO1 ZINC000350196613 366260997 /nfs/dbraw/zinc/26/09/97/366260997.db2.gz KTBQYTMOZSEESL-IUCAKERBSA-N 1 2 248.286 1.286 20 0 BDADLO CC[C@@H](SCC[NH+]1CCOCC1)C(=O)OC ZINC000179478426 366263061 /nfs/dbraw/zinc/26/30/61/366263061.db2.gz UQUGJZZLTZMTLC-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CO[C@@H](c1nc(Cc2c[nH+]cn2C)no1)C1CC1 ZINC000350222597 366264484 /nfs/dbraw/zinc/26/44/84/366264484.db2.gz VTJHVFXONCWIMF-LLVKDONJSA-N 1 2 248.286 1.491 20 0 BDADLO C[C@H]([N@H+](C)Cc1nn(C)cc1Cl)C(C)(C)O ZINC000420958956 192282033 /nfs/dbraw/zinc/28/20/33/192282033.db2.gz DYRNDPGDYIONOX-QMMMGPOBSA-N 1 2 245.754 1.665 20 0 BDADLO C[C@H]([N@@H+](C)Cc1nn(C)cc1Cl)C(C)(C)O ZINC000420958956 192282035 /nfs/dbraw/zinc/28/20/35/192282035.db2.gz DYRNDPGDYIONOX-QMMMGPOBSA-N 1 2 245.754 1.665 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)C[C@H](C)O ZINC000420962475 192283782 /nfs/dbraw/zinc/28/37/82/192283782.db2.gz KJZXOABZRUNYAF-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)C[C@H](C)O ZINC000420962475 192283786 /nfs/dbraw/zinc/28/37/86/192283786.db2.gz KJZXOABZRUNYAF-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000639615424 356532844 /nfs/dbraw/zinc/53/28/44/356532844.db2.gz OSSWPIVJCZOJEE-GFCCVEGCSA-N 1 2 220.272 1.124 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000639615424 356532848 /nfs/dbraw/zinc/53/28/48/356532848.db2.gz OSSWPIVJCZOJEE-GFCCVEGCSA-N 1 2 220.272 1.124 20 0 BDADLO Cn1c[nH+]cc1Cc1nc([C@@H]2CCCO2)no1 ZINC000350414816 366277917 /nfs/dbraw/zinc/27/79/17/366277917.db2.gz MVZAWCWWNJQGMH-VIFPVBQESA-N 1 2 234.259 1.245 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@]23CCOC3)s1 ZINC000421013676 192301412 /nfs/dbraw/zinc/30/14/12/192301412.db2.gz GKRAQJODVQATRF-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@]23CCOC3)s1 ZINC000421013676 192301415 /nfs/dbraw/zinc/30/14/15/192301415.db2.gz GKRAQJODVQATRF-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO CC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000639642815 356555473 /nfs/dbraw/zinc/55/54/73/356555473.db2.gz XYUYZDJFUVKNSU-UHFFFAOYSA-N 1 2 219.288 1.098 20 0 BDADLO CC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000639642815 356555475 /nfs/dbraw/zinc/55/54/75/356555475.db2.gz XYUYZDJFUVKNSU-UHFFFAOYSA-N 1 2 219.288 1.098 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)[nH]1 ZINC000421026008 192307540 /nfs/dbraw/zinc/30/75/40/192307540.db2.gz RMQFMYALRYPSHW-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)[nH]1 ZINC000421026008 192307542 /nfs/dbraw/zinc/30/75/42/192307542.db2.gz RMQFMYALRYPSHW-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO O=C(CCCC(=O)C1CC1)Nc1cc[nH+]cc1O ZINC000449850918 202046745 /nfs/dbraw/zinc/04/67/45/202046745.db2.gz OPUFONYEJHGWBZ-UHFFFAOYSA-N 1 2 248.282 1.297 20 0 BDADLO CC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000639654067 356565960 /nfs/dbraw/zinc/56/59/60/356565960.db2.gz FUZXIASKWYCZKU-UHFFFAOYSA-N 1 2 216.284 1.760 20 0 BDADLO CC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000639654067 356565964 /nfs/dbraw/zinc/56/59/64/356565964.db2.gz FUZXIASKWYCZKU-UHFFFAOYSA-N 1 2 216.284 1.760 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC ZINC000402149682 356564646 /nfs/dbraw/zinc/56/46/46/356564646.db2.gz OPHAXLYKZNQYMX-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC(=O)CC12CCC2 ZINC000639672938 356589288 /nfs/dbraw/zinc/58/92/88/356589288.db2.gz LEFCIDXQVBNLTJ-UHFFFAOYSA-N 1 2 235.331 1.377 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC(=O)CC12CCC2 ZINC000639672938 356589291 /nfs/dbraw/zinc/58/92/91/356589291.db2.gz LEFCIDXQVBNLTJ-UHFFFAOYSA-N 1 2 235.331 1.377 20 0 BDADLO COC1(C(F)(F)F)CC[NH+](CC(C)=O)CC1 ZINC000639672859 356589367 /nfs/dbraw/zinc/58/93/67/356589367.db2.gz JAJQLBQXYJJKNO-UHFFFAOYSA-N 1 2 239.237 1.619 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302915 356584318 /nfs/dbraw/zinc/58/43/18/356584318.db2.gz RZVOBGLGJUJDKG-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@H](NC(=O)c1cn(CC)cn1)c1[nH]cc[nH+]1 ZINC000613578912 363521365 /nfs/dbraw/zinc/52/13/65/363521365.db2.gz FGZJVEIMIODNRI-VIFPVBQESA-N 1 2 247.302 1.507 20 0 BDADLO CCC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623307858 356614473 /nfs/dbraw/zinc/61/44/73/356614473.db2.gz PPXXSRYITVMJCI-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623305242 356599570 /nfs/dbraw/zinc/59/95/70/356599570.db2.gz OFBITSVOWOJJLC-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305636 356600861 /nfs/dbraw/zinc/60/08/61/356600861.db2.gz WWPHXGHLXMFIQT-QWRGUYRKSA-N 1 2 235.331 1.606 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088225582 356622490 /nfs/dbraw/zinc/62/24/90/356622490.db2.gz YAZPBGFQZNRKOU-MRVPVSSYSA-N 1 2 209.211 1.850 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088225582 356622492 /nfs/dbraw/zinc/62/24/92/356622492.db2.gz YAZPBGFQZNRKOU-MRVPVSSYSA-N 1 2 209.211 1.850 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000639730074 356624431 /nfs/dbraw/zinc/62/44/31/356624431.db2.gz MTXVVIUIPDKNCI-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000639730074 356624433 /nfs/dbraw/zinc/62/44/33/356624433.db2.gz MTXVVIUIPDKNCI-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CC(C)c1nnc(CN2CC[NH+](C)CC2)s1 ZINC000450241063 202103435 /nfs/dbraw/zinc/10/34/35/202103435.db2.gz JURCASXLPXYZPY-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO C[C@@H](c1ccccc1)[C@H](O)CN1CC[NH+](C)CC1 ZINC000450243034 202106859 /nfs/dbraw/zinc/10/68/59/202106859.db2.gz QYDFMTGZVASDPL-DZGCQCFKSA-N 1 2 248.370 1.398 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)C1(CO)CC1 ZINC000630095062 363545650 /nfs/dbraw/zinc/54/56/50/363545650.db2.gz QRGGHQUZRWGDAV-VIFPVBQESA-N 1 2 222.288 1.147 20 0 BDADLO CC(=O)C[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC000639747481 356642259 /nfs/dbraw/zinc/64/22/59/356642259.db2.gz BOHWNTIONUBAPI-UHFFFAOYSA-N 1 2 249.314 1.217 20 0 BDADLO CCOC(=O)C[N@H+](C)CC1CCC(=O)CC1 ZINC000450327358 202130320 /nfs/dbraw/zinc/13/03/20/202130320.db2.gz LRZOGWNLQBVMST-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)C[N@@H+](C)CC1CCC(=O)CC1 ZINC000450327358 202130323 /nfs/dbraw/zinc/13/03/23/202130323.db2.gz LRZOGWNLQBVMST-UHFFFAOYSA-N 1 2 227.304 1.241 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000169798377 363556136 /nfs/dbraw/zinc/55/61/36/363556136.db2.gz HPTKQDOJAPVMIO-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Cc1ccccc1 ZINC000041535598 358511560 /nfs/dbraw/zinc/51/15/60/358511560.db2.gz VPIWDVAAQACWBI-UHFFFAOYSA-N 1 2 229.283 1.279 20 0 BDADLO CC(C)C[N@@H+]1CC[C@H](CN=c2[nH]ncs2)C1 ZINC000450380898 202147050 /nfs/dbraw/zinc/14/70/50/202147050.db2.gz SGJQROGMCPEDJW-SNVBAGLBSA-N 1 2 240.376 1.350 20 0 BDADLO CC(C)C[N@H+]1CC[C@H](CN=c2[nH]ncs2)C1 ZINC000450380898 202147053 /nfs/dbraw/zinc/14/70/53/202147053.db2.gz SGJQROGMCPEDJW-SNVBAGLBSA-N 1 2 240.376 1.350 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccccn1)C(=O)OC ZINC000168230213 134160815 /nfs/dbraw/zinc/16/08/15/134160815.db2.gz IZHZTXKOWOCSOM-LLVKDONJSA-N 1 2 222.288 1.165 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c[nH]1 ZINC000639776232 356717863 /nfs/dbraw/zinc/71/78/63/356717863.db2.gz KKGLCJJWJRXJQF-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c[nH]1 ZINC000639776232 356717866 /nfs/dbraw/zinc/71/78/66/356717866.db2.gz KKGLCJJWJRXJQF-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)[nH]1 ZINC000639776232 356717868 /nfs/dbraw/zinc/71/78/68/356717868.db2.gz KKGLCJJWJRXJQF-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)[nH]1 ZINC000639776232 356717872 /nfs/dbraw/zinc/71/78/72/356717872.db2.gz KKGLCJJWJRXJQF-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776997 356719721 /nfs/dbraw/zinc/71/97/21/356719721.db2.gz GRNQMEXTGSVCCX-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776997 356719723 /nfs/dbraw/zinc/71/97/23/356719723.db2.gz GRNQMEXTGSVCCX-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)[nH]1 ZINC000639777192 356720571 /nfs/dbraw/zinc/72/05/71/356720571.db2.gz IZWYHFHHZAKVBX-SNVBAGLBSA-N 1 2 232.291 1.173 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)[nH]1 ZINC000639777192 356720575 /nfs/dbraw/zinc/72/05/75/356720575.db2.gz IZWYHFHHZAKVBX-SNVBAGLBSA-N 1 2 232.291 1.173 20 0 BDADLO Cn1cc[nH+]c1[C@H](NCC(F)F)C(C)(C)CO ZINC000639772397 356711965 /nfs/dbraw/zinc/71/19/65/356711965.db2.gz NPOXIFAHYYDKAF-VIFPVBQESA-N 1 2 247.289 1.334 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OCC ZINC000384772592 356745091 /nfs/dbraw/zinc/74/50/91/356745091.db2.gz PIHMDBLMSQAJGM-NOOOWODRSA-N 1 2 243.347 1.874 20 0 BDADLO c1n[nH]c(=NC2CC([NH+]3CCCCC3)C2)s1 ZINC000450495311 202185420 /nfs/dbraw/zinc/18/54/20/202185420.db2.gz UOHUBZGNWIUAQT-UHFFFAOYSA-N 1 2 238.360 1.389 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cncc(C)c2)CCO1 ZINC000639838062 356828263 /nfs/dbraw/zinc/82/82/63/356828263.db2.gz ORQLNFQNTPNVKM-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cncc(C)c2)CCO1 ZINC000639838062 356828268 /nfs/dbraw/zinc/82/82/68/356828268.db2.gz ORQLNFQNTPNVKM-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000639837159 356829221 /nfs/dbraw/zinc/82/92/21/356829221.db2.gz PLJXENSQAFASEP-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000639837159 356829224 /nfs/dbraw/zinc/82/92/24/356829224.db2.gz PLJXENSQAFASEP-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@H]1C[N@H+](CCc2cccc(C)n2)CCO1 ZINC000639837442 356830602 /nfs/dbraw/zinc/83/06/02/356830602.db2.gz QSGKRNOASOALCU-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CO[C@H]1C[N@@H+](CCc2cccc(C)n2)CCO1 ZINC000639837442 356830603 /nfs/dbraw/zinc/83/06/03/356830603.db2.gz QSGKRNOASOALCU-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC(C)C ZINC000356037745 356785660 /nfs/dbraw/zinc/78/56/60/356785660.db2.gz RAMKUXSMDUTDMI-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC(C)C ZINC000356037745 356785662 /nfs/dbraw/zinc/78/56/62/356785662.db2.gz RAMKUXSMDUTDMI-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO C(c1noc(C[N@@H+]2CCC3(COC3)C2)n1)C1CC1 ZINC000639862827 356869503 /nfs/dbraw/zinc/86/95/03/356869503.db2.gz PCEZWLHOKOSJDK-UHFFFAOYSA-N 1 2 249.314 1.244 20 0 BDADLO C(c1noc(C[N@H+]2CCC3(COC3)C2)n1)C1CC1 ZINC000639862827 356869505 /nfs/dbraw/zinc/86/95/05/356869505.db2.gz PCEZWLHOKOSJDK-UHFFFAOYSA-N 1 2 249.314 1.244 20 0 BDADLO COCC[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000054354050 363569383 /nfs/dbraw/zinc/56/93/83/363569383.db2.gz KTBKSCJDVZJXMN-UHFFFAOYSA-N 1 2 247.298 1.815 20 0 BDADLO CC1(C)CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000358954487 356880007 /nfs/dbraw/zinc/88/00/07/356880007.db2.gz WABMMZUCDIOTLI-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000054354050 363569386 /nfs/dbraw/zinc/56/93/86/363569386.db2.gz KTBKSCJDVZJXMN-UHFFFAOYSA-N 1 2 247.298 1.815 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000353152505 538735793 /nfs/dbraw/zinc/73/57/93/538735793.db2.gz OHKNFNAAHUXTMH-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000353152505 538735799 /nfs/dbraw/zinc/73/57/99/538735799.db2.gz OHKNFNAAHUXTMH-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1ncccn1 ZINC000639842764 356837415 /nfs/dbraw/zinc/83/74/15/356837415.db2.gz JYVHNZSVPAXIBD-LLVKDONJSA-N 1 2 243.314 1.547 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000155490353 538719045 /nfs/dbraw/zinc/71/90/45/538719045.db2.gz HQGUTBQNCHDEKH-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000155490353 538719049 /nfs/dbraw/zinc/71/90/49/538719049.db2.gz HQGUTBQNCHDEKH-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO COCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC000054361251 363569537 /nfs/dbraw/zinc/56/95/37/363569537.db2.gz YYXMNFJOUSQFCW-UHFFFAOYSA-N 1 2 213.281 1.271 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000054361251 363569539 /nfs/dbraw/zinc/56/95/39/363569539.db2.gz YYXMNFJOUSQFCW-UHFFFAOYSA-N 1 2 213.281 1.271 20 0 BDADLO C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1[nH]cc[nH+]1 ZINC000353450599 538744652 /nfs/dbraw/zinc/74/46/52/538744652.db2.gz UQNPRJHWJPXFGC-KOLCDFICSA-N 1 2 244.298 1.287 20 0 BDADLO C[C@H](NCc1ncnn1C(C)(C)C)c1[nH]cc[nH+]1 ZINC000353589472 538751840 /nfs/dbraw/zinc/75/18/40/538751840.db2.gz GRYCIZWXDAZCIM-VIFPVBQESA-N 1 2 248.334 1.607 20 0 BDADLO CCc1ccnc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000360564699 356908560 /nfs/dbraw/zinc/90/85/60/356908560.db2.gz RNZTWZOXKCKVIF-UHFFFAOYSA-N 1 2 244.298 1.157 20 0 BDADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000361067572 356916827 /nfs/dbraw/zinc/91/68/27/356916827.db2.gz RSIIYBITVQIQJW-VIFPVBQESA-N 1 2 245.273 1.623 20 0 BDADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000361067572 356916832 /nfs/dbraw/zinc/91/68/32/356916832.db2.gz RSIIYBITVQIQJW-VIFPVBQESA-N 1 2 245.273 1.623 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nnnn1C ZINC000361121686 356916862 /nfs/dbraw/zinc/91/68/62/356916862.db2.gz WOAKACYONRVQAY-VIFPVBQESA-N 1 2 246.318 1.018 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@H](C)OC)[nH]1 ZINC000361567396 356933507 /nfs/dbraw/zinc/93/35/07/356933507.db2.gz WKKBQQSTVXKQCC-VIFPVBQESA-N 1 2 226.324 1.224 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@H](C)OC)[nH]1 ZINC000361567396 356933509 /nfs/dbraw/zinc/93/35/09/356933509.db2.gz WKKBQQSTVXKQCC-VIFPVBQESA-N 1 2 226.324 1.224 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)[C@H]1CCOC1 ZINC000361595262 356934687 /nfs/dbraw/zinc/93/46/87/356934687.db2.gz MYCWKXGRYDSGMW-JTQLQIEISA-N 1 2 236.319 1.293 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@H]1CCOC1 ZINC000361595262 356934690 /nfs/dbraw/zinc/93/46/90/356934690.db2.gz MYCWKXGRYDSGMW-JTQLQIEISA-N 1 2 236.319 1.293 20 0 BDADLO CCc1nc(C[NH+]2CCC3(CC3)CC2)n[nH]1 ZINC000368361405 356971307 /nfs/dbraw/zinc/97/13/07/356971307.db2.gz MNQVBYBJISDJDX-UHFFFAOYSA-N 1 2 220.320 1.743 20 0 BDADLO CC[N@H+](Cc1cnnn1C)Cc1cccc(F)c1 ZINC000120009367 357031690 /nfs/dbraw/zinc/03/16/90/357031690.db2.gz XVSCDEMHULDAQF-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cnnn1C)Cc1cccc(F)c1 ZINC000120009367 357031694 /nfs/dbraw/zinc/03/16/94/357031694.db2.gz XVSCDEMHULDAQF-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)Nc2cc[nH+]cc2C)C1 ZINC000626469366 357005816 /nfs/dbraw/zinc/00/58/16/357005816.db2.gz YLGGOKSBJZOBRD-MGCOHNPYSA-N 1 2 235.287 1.111 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000399684732 357011621 /nfs/dbraw/zinc/01/16/21/357011621.db2.gz QYQHYJNSFOBHOR-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1COCCC[N@H+]1CC(=O)OC(C)(C)C ZINC000399684732 357011624 /nfs/dbraw/zinc/01/16/24/357011624.db2.gz QYQHYJNSFOBHOR-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cc(O)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000353941171 538771192 /nfs/dbraw/zinc/77/11/92/538771192.db2.gz UYOQDGGVWFHYIK-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1cc(O)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000353941171 538771197 /nfs/dbraw/zinc/77/11/97/538771197.db2.gz UYOQDGGVWFHYIK-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Cc1ccccc1 ZINC000355255258 538790524 /nfs/dbraw/zinc/79/05/24/538790524.db2.gz POAYFBAYGCEPLI-UHFFFAOYSA-N 1 2 229.283 1.279 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1ccsc1 ZINC000355273421 538792113 /nfs/dbraw/zinc/79/21/13/538792113.db2.gz WJWAGHLSTMJNCQ-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000354817555 538784565 /nfs/dbraw/zinc/78/45/65/538784565.db2.gz AJJXGQCXGLZDJB-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000354817555 538784569 /nfs/dbraw/zinc/78/45/69/538784569.db2.gz AJJXGQCXGLZDJB-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO CC(C)[C@H](Nc1cccnn1)c1[nH]cc[nH+]1 ZINC000390341603 357090386 /nfs/dbraw/zinc/09/03/86/357090386.db2.gz NBZWVLBAHHCZNQ-JTQLQIEISA-N 1 2 217.276 1.431 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nc(N(C)C)no2)cn1 ZINC000354977828 538786819 /nfs/dbraw/zinc/78/68/19/538786819.db2.gz IYNNBKYMAMRLFG-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC(F)(F)C1 ZINC000355777297 538804038 /nfs/dbraw/zinc/80/40/38/538804038.db2.gz KYLQCFVHYDDDPS-UHFFFAOYSA-N 1 2 229.230 1.210 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC(F)(F)C1 ZINC000355777297 538804044 /nfs/dbraw/zinc/80/40/44/538804044.db2.gz KYLQCFVHYDDDPS-UHFFFAOYSA-N 1 2 229.230 1.210 20 0 BDADLO CC(C)(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000072264430 325131952 /nfs/dbraw/zinc/13/19/52/325131952.db2.gz UDHPTVXXIAXBPM-UHFFFAOYSA-N 1 2 245.388 1.667 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)sn1 ZINC000639891781 357215072 /nfs/dbraw/zinc/21/50/72/357215072.db2.gz AYOYUVSZQDMLII-WDEREUQCSA-N 1 2 224.329 1.896 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)sn1 ZINC000639891781 357215076 /nfs/dbraw/zinc/21/50/76/357215076.db2.gz AYOYUVSZQDMLII-WDEREUQCSA-N 1 2 224.329 1.896 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000639900394 357284417 /nfs/dbraw/zinc/28/44/17/357284417.db2.gz SIUCALZOVAMOMV-HOSYDEDBSA-N 1 2 249.314 1.499 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)CC1(C)COC1 ZINC000628423701 357248724 /nfs/dbraw/zinc/24/87/24/357248724.db2.gz GEXWBVVVCFETLP-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)CC1(C)COC1 ZINC000628423701 357248728 /nfs/dbraw/zinc/24/87/28/357248728.db2.gz GEXWBVVVCFETLP-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(F)(F)F ZINC000356986429 538823202 /nfs/dbraw/zinc/82/32/02/538823202.db2.gz QVGOBDODHIRECZ-QMMMGPOBSA-N 1 2 249.236 1.799 20 0 BDADLO CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(F)(F)F ZINC000356986429 538823209 /nfs/dbraw/zinc/82/32/09/538823209.db2.gz QVGOBDODHIRECZ-QMMMGPOBSA-N 1 2 249.236 1.799 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CCCO3)nc1 ZINC000628427166 357256139 /nfs/dbraw/zinc/25/61/39/357256139.db2.gz JZMJJRNDWVYCCG-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cn1 ZINC000385317543 357271841 /nfs/dbraw/zinc/27/18/41/357271841.db2.gz NFRWKBDFDYMMLK-UHFFFAOYSA-N 1 2 248.246 1.213 20 0 BDADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)C[C@H]1F ZINC000582721615 357371558 /nfs/dbraw/zinc/37/15/58/357371558.db2.gz VBDNWKYSGVJMLE-MWLCHTKSSA-N 1 2 223.251 1.015 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423284784 192677567 /nfs/dbraw/zinc/67/75/67/192677567.db2.gz YKFDXECHHUAANG-WEDXCCLWSA-N 1 2 239.344 1.448 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582519470 357324518 /nfs/dbraw/zinc/32/45/18/357324518.db2.gz MMFRBTAFCRHCIW-UTLUCORTSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000582519470 357324521 /nfs/dbraw/zinc/32/45/21/357324521.db2.gz MMFRBTAFCRHCIW-UTLUCORTSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582519468 357324601 /nfs/dbraw/zinc/32/46/01/357324601.db2.gz MMFRBTAFCRHCIW-OPRDCNLKSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000582519468 357324603 /nfs/dbraw/zinc/32/46/03/357324603.db2.gz MMFRBTAFCRHCIW-OPRDCNLKSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582519466 357324727 /nfs/dbraw/zinc/32/47/27/357324727.db2.gz MMFRBTAFCRHCIW-KXUCPTDWSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000582519466 357324729 /nfs/dbraw/zinc/32/47/29/357324729.db2.gz MMFRBTAFCRHCIW-KXUCPTDWSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H](NC(=O)COC1CCCC1)c1[nH]cc[nH+]1 ZINC000584361392 357327605 /nfs/dbraw/zinc/32/76/05/357327605.db2.gz OKSBRUCQFGIGLN-SECBINFHSA-N 1 2 237.303 1.546 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C1CCC1 ZINC000157507573 538828630 /nfs/dbraw/zinc/82/86/30/538828630.db2.gz DGJYHTKOISWJEX-MRVPVSSYSA-N 1 2 231.303 1.964 20 0 BDADLO CC(C)Oc1nccnc1NCc1c[nH+]cn1C ZINC000357582267 538830030 /nfs/dbraw/zinc/83/00/30/538830030.db2.gz OKRLZXGYGINKJD-UHFFFAOYSA-N 1 2 247.302 1.031 20 0 BDADLO CCC(C)(C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582669034 357359556 /nfs/dbraw/zinc/35/95/56/357359556.db2.gz WKSGNMZVSBHGHC-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C[C@H]1CCOC1 ZINC000582673340 357360004 /nfs/dbraw/zinc/36/00/04/357360004.db2.gz VAZADQLGMQYJLC-SNVBAGLBSA-N 1 2 249.314 1.513 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2ccc(C)cn2)n1 ZINC000582772846 357385767 /nfs/dbraw/zinc/38/57/67/357385767.db2.gz NOGQMRHOWUVJLS-WAYWQWQTSA-N 1 2 230.271 1.663 20 0 BDADLO CCn1cc[nH+]c1CNc1cccc(OC)n1 ZINC000395462526 357441347 /nfs/dbraw/zinc/44/13/47/357441347.db2.gz SSNOSCLAGSRUQX-UHFFFAOYSA-N 1 2 232.287 1.341 20 0 BDADLO CCN(CC)C(=O)NCc1[nH+]ccn1CC ZINC000395308545 357423141 /nfs/dbraw/zinc/42/31/41/357423141.db2.gz FVSVQQQVTHSTFF-UHFFFAOYSA-N 1 2 224.308 1.454 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](Cc1nncn1C)C2 ZINC000582880514 357429456 /nfs/dbraw/zinc/42/94/56/357429456.db2.gz MBYUXFBTRABDRK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](Cc1nncn1C)C2 ZINC000582880514 357429460 /nfs/dbraw/zinc/42/94/60/357429460.db2.gz MBYUXFBTRABDRK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO C[C@H](CO)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000157932628 538845769 /nfs/dbraw/zinc/84/57/69/538845769.db2.gz BOYWRYBVYIPQJS-NSHDSACASA-N 1 2 231.299 1.913 20 0 BDADLO COC1CC([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000230696837 357567854 /nfs/dbraw/zinc/56/78/54/357567854.db2.gz YTPJWZHZKGUSOJ-IDKOKCKLSA-N 1 2 229.320 1.484 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188559685 357561333 /nfs/dbraw/zinc/56/13/33/357561333.db2.gz PRGCZYUBVMQXDM-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188559685 357561337 /nfs/dbraw/zinc/56/13/37/357561337.db2.gz PRGCZYUBVMQXDM-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000190702386 357725884 /nfs/dbraw/zinc/72/58/84/357725884.db2.gz TVPFNHQVFRGCHC-SRVKXCTJSA-N 1 2 243.347 1.826 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000190702386 357725887 /nfs/dbraw/zinc/72/58/87/357725887.db2.gz TVPFNHQVFRGCHC-SRVKXCTJSA-N 1 2 243.347 1.826 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190847430 357726212 /nfs/dbraw/zinc/72/62/12/357726212.db2.gz GCYKZPKPIAVBCF-ZJUUUORDSA-N 1 2 239.319 1.253 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190847430 357726219 /nfs/dbraw/zinc/72/62/19/357726219.db2.gz GCYKZPKPIAVBCF-ZJUUUORDSA-N 1 2 239.319 1.253 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000190194175 357690764 /nfs/dbraw/zinc/69/07/64/357690764.db2.gz JAWXXZGQVSUCQN-LLVKDONJSA-N 1 2 235.331 1.958 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000190194175 357690768 /nfs/dbraw/zinc/69/07/68/357690768.db2.gz JAWXXZGQVSUCQN-LLVKDONJSA-N 1 2 235.331 1.958 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OC ZINC000191095681 357749237 /nfs/dbraw/zinc/74/92/37/357749237.db2.gz NPSYWBPXQLYPHR-YFKTTZPYSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](NC(=O)c1ccnc(C)c1)c1[nH]cc[nH+]1 ZINC000234036440 357768303 /nfs/dbraw/zinc/76/83/03/357768303.db2.gz URRFDICTYYWYRH-NSHDSACASA-N 1 2 244.298 1.994 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cccnc1)C1CC1 ZINC000234552339 357811883 /nfs/dbraw/zinc/81/18/83/357811883.db2.gz UPPWNRYOPBRVBG-LBPRGKRZSA-N 1 2 234.299 1.165 20 0 BDADLO COC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000192155209 357825508 /nfs/dbraw/zinc/82/55/08/357825508.db2.gz BLXUSYLTMPUIKU-CYBMUJFWSA-N 1 2 243.310 1.954 20 0 BDADLO CCN(C)c1ccc(CNc2ncnn2C)c[nH+]1 ZINC000191550653 357784552 /nfs/dbraw/zinc/78/45/52/357784552.db2.gz SRMOPGMVHWTKNS-UHFFFAOYSA-N 1 2 246.318 1.278 20 0 BDADLO CCn1cc(NCc2c[nH+]cn2CC)cn1 ZINC000085183157 134224974 /nfs/dbraw/zinc/22/49/74/134224974.db2.gz GQMXWCGFBPMISA-UHFFFAOYSA-N 1 2 219.292 1.732 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926513 357851642 /nfs/dbraw/zinc/85/16/42/357851642.db2.gz YKDHNBOYVGULBY-SCZZXKLOSA-N 1 2 222.288 1.536 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926513 357851645 /nfs/dbraw/zinc/85/16/45/357851645.db2.gz YKDHNBOYVGULBY-SCZZXKLOSA-N 1 2 222.288 1.536 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000192887816 357857646 /nfs/dbraw/zinc/85/76/46/357857646.db2.gz FUXRUSTVHQBBEY-KOLCDFICSA-N 1 2 249.314 1.511 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000192887788 357857845 /nfs/dbraw/zinc/85/78/45/357857845.db2.gz FUXRUSTVHQBBEY-ONGXEEELSA-N 1 2 249.314 1.511 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925713 357830200 /nfs/dbraw/zinc/83/02/00/357830200.db2.gz CPFWWHLSULFNEM-MWLCHTKSSA-N 1 2 236.315 1.926 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925713 357830204 /nfs/dbraw/zinc/83/02/04/357830204.db2.gz CPFWWHLSULFNEM-MWLCHTKSSA-N 1 2 236.315 1.926 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000192465697 357836146 /nfs/dbraw/zinc/83/61/46/357836146.db2.gz VRSOMDRTQALLJB-LLVKDONJSA-N 1 2 221.300 1.916 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000192465697 357836149 /nfs/dbraw/zinc/83/61/49/357836149.db2.gz VRSOMDRTQALLJB-LLVKDONJSA-N 1 2 221.300 1.916 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000193065217 357866365 /nfs/dbraw/zinc/86/63/65/357866365.db2.gz XWLQRCBLBANANL-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000193065217 357866369 /nfs/dbraw/zinc/86/63/69/357866369.db2.gz XWLQRCBLBANANL-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(F)c1 ZINC000168597808 134227655 /nfs/dbraw/zinc/22/76/55/134227655.db2.gz SVMHJSGEGCFBNF-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(F)c1 ZINC000168597808 134227656 /nfs/dbraw/zinc/22/76/56/134227656.db2.gz SVMHJSGEGCFBNF-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO COCCCCC[N@H+](CCO)CC(F)F ZINC000193407468 357882024 /nfs/dbraw/zinc/88/20/24/357882024.db2.gz BNQWOTJVQIYCEJ-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO COCCCCC[N@@H+](CCO)CC(F)F ZINC000193407468 357882026 /nfs/dbraw/zinc/88/20/26/357882026.db2.gz BNQWOTJVQIYCEJ-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO O=C(NCCCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000583726366 357910337 /nfs/dbraw/zinc/91/03/37/357910337.db2.gz PFWKTGBXPPXSNF-UHFFFAOYSA-N 1 2 248.330 1.599 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)OC[C@H]1CC ZINC000404094445 357969496 /nfs/dbraw/zinc/96/94/96/357969496.db2.gz FMUZPROTSDLZMY-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000404094445 357969499 /nfs/dbraw/zinc/96/94/99/357969499.db2.gz FMUZPROTSDLZMY-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]([NH2+]Cc1ccno1)c1ccccn1 ZINC000219366161 357995705 /nfs/dbraw/zinc/99/57/05/357995705.db2.gz HMCSGNQFMNXKKB-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cnc(C)nc1 ZINC000639970627 358023292 /nfs/dbraw/zinc/02/32/92/358023292.db2.gz QAXNEICDPXBPEU-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cnc(C)nc1 ZINC000639970627 358023297 /nfs/dbraw/zinc/02/32/97/358023297.db2.gz QAXNEICDPXBPEU-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1cn[nH]c1C)OC ZINC000639970789 358023940 /nfs/dbraw/zinc/02/39/40/358023940.db2.gz KROJSXFRGRBPHH-LLVKDONJSA-N 1 2 211.309 1.575 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1cn[nH]c1C)OC ZINC000639970789 358023942 /nfs/dbraw/zinc/02/39/42/358023942.db2.gz KROJSXFRGRBPHH-LLVKDONJSA-N 1 2 211.309 1.575 20 0 BDADLO COCCCCC[N@H+](C)Cc1cn[nH]c1C ZINC000639970738 358024360 /nfs/dbraw/zinc/02/43/60/358024360.db2.gz RHVCQOBYYSHCTP-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO COCCCCC[N@@H+](C)Cc1cn[nH]c1C ZINC000639970738 358024363 /nfs/dbraw/zinc/02/43/63/358024363.db2.gz RHVCQOBYYSHCTP-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO COc1cc(C[N@H+](C)Cc2c[nH]nc2C)on1 ZINC000639971740 358030807 /nfs/dbraw/zinc/03/08/07/358030807.db2.gz WJBCXAFFISKUIP-UHFFFAOYSA-N 1 2 236.275 1.347 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)on1 ZINC000639971740 358030813 /nfs/dbraw/zinc/03/08/13/358030813.db2.gz WJBCXAFFISKUIP-UHFFFAOYSA-N 1 2 236.275 1.347 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1cn[nH]c1 ZINC000610662108 358047424 /nfs/dbraw/zinc/04/74/24/358047424.db2.gz GHGXXEPWSAHDDO-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662108 358047427 /nfs/dbraw/zinc/04/74/27/358047427.db2.gz GHGXXEPWSAHDDO-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@H](C)[N@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000037474728 358071216 /nfs/dbraw/zinc/07/12/16/358071216.db2.gz WUEMYYZKJMDNCR-JTQLQIEISA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@H](C)[N@@H+](CCn1cc[nH+]c1)CC(=O)[O-] ZINC000037474728 358071217 /nfs/dbraw/zinc/07/12/17/358071217.db2.gz WUEMYYZKJMDNCR-JTQLQIEISA-N 1 2 225.292 1.068 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)(C)C)no1)C[C@@H](C)O ZINC000352195334 535389469 /nfs/dbraw/zinc/38/94/69/535389469.db2.gz PYBDDKKFUQGJND-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@H+](Cc1nc(C(C)(C)C)no1)C[C@@H](C)O ZINC000352195334 535389474 /nfs/dbraw/zinc/38/94/74/535389474.db2.gz PYBDDKKFUQGJND-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO OCCC1(CCO)CC[NH+](CC(F)F)CC1 ZINC000640010703 358077132 /nfs/dbraw/zinc/07/71/32/358077132.db2.gz IHLDRPRNCBCPEC-UHFFFAOYSA-N 1 2 237.290 1.099 20 0 BDADLO COc1cc[nH+]cc1NC(=O)NCC(F)(F)F ZINC000133848859 325324026 /nfs/dbraw/zinc/32/40/26/325324026.db2.gz QIASNBBHROOUGF-UHFFFAOYSA-N 1 2 249.192 1.774 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000170768203 134253335 /nfs/dbraw/zinc/25/33/35/134253335.db2.gz IVWYWLGLMHTOKE-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000170768203 134253336 /nfs/dbraw/zinc/25/33/36/134253336.db2.gz IVWYWLGLMHTOKE-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@H](CCF)C1 ZINC000628459954 358094526 /nfs/dbraw/zinc/09/45/26/358094526.db2.gz ZXZKITZNVJZCSQ-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@@H](CCF)C1 ZINC000628459955 358094658 /nfs/dbraw/zinc/09/46/58/358094658.db2.gz ZXZKITZNVJZCSQ-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CC[C@]1(O)CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000640035234 358124971 /nfs/dbraw/zinc/12/49/71/358124971.db2.gz IQROWDQXFQTJIC-SKDRFNHKSA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@]1(O)CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000640035234 358124974 /nfs/dbraw/zinc/12/49/74/358124974.db2.gz IQROWDQXFQTJIC-SKDRFNHKSA-N 1 2 239.319 1.676 20 0 BDADLO CCc1noc(C[NH+]2CCC(C)(F)CC2)n1 ZINC000640069692 358155334 /nfs/dbraw/zinc/15/53/34/358155334.db2.gz IAJGFYWYAOELFO-UHFFFAOYSA-N 1 2 227.283 1.956 20 0 BDADLO CC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000450624160 202216052 /nfs/dbraw/zinc/21/60/52/202216052.db2.gz OTMPQMOHMSWMEB-CYBMUJFWSA-N 1 2 246.310 1.210 20 0 BDADLO CC(=O)c1cccc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000450624160 202216053 /nfs/dbraw/zinc/21/60/53/202216053.db2.gz OTMPQMOHMSWMEB-CYBMUJFWSA-N 1 2 246.310 1.210 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(c2ncccn2)CC1(C)C ZINC000450648130 202225557 /nfs/dbraw/zinc/22/55/57/202225557.db2.gz OLDWOBDVEDZQEG-SNVBAGLBSA-N 1 2 243.314 1.798 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]1C1CC1 ZINC000450646761 202226058 /nfs/dbraw/zinc/22/60/58/202226058.db2.gz SIJSAPPCRUVJSA-JTQLQIEISA-N 1 2 229.287 1.352 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000450644520 202222793 /nfs/dbraw/zinc/22/27/93/202222793.db2.gz FRLCOUPSKYSPEM-IUCAKERBSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)s1 ZINC000450644520 202222796 /nfs/dbraw/zinc/22/27/96/202222796.db2.gz FRLCOUPSKYSPEM-IUCAKERBSA-N 1 2 241.360 1.474 20 0 BDADLO CCc1nc(N(CC)C2COC2)cc(C)[nH+]1 ZINC000450646000 202223636 /nfs/dbraw/zinc/22/36/36/202223636.db2.gz DSIKNPXDAZIAGA-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO CCn1cc[nH+]c1CNc1cncc(C)n1 ZINC000450679861 202232017 /nfs/dbraw/zinc/23/20/17/202232017.db2.gz KDNPJBMZMQNYPN-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@H](C)CC ZINC000450687358 202233849 /nfs/dbraw/zinc/23/38/49/202233849.db2.gz APGGRQHNHIXDSF-GRYCIOLGSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000450708986 202240149 /nfs/dbraw/zinc/24/01/49/202240149.db2.gz SESYOCPSWYOHFR-YNEHKIRRSA-N 1 2 247.342 1.915 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000450728368 202248327 /nfs/dbraw/zinc/24/83/27/202248327.db2.gz KWDRTAHWFAZRQX-JVUFJMBOSA-N 1 2 242.344 1.516 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000172989472 134271651 /nfs/dbraw/zinc/27/16/51/134271651.db2.gz HYEYICSRHCZBCY-HPOULIHZSA-N 1 2 205.685 1.086 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000172989472 134271652 /nfs/dbraw/zinc/27/16/52/134271652.db2.gz HYEYICSRHCZBCY-HPOULIHZSA-N 1 2 205.685 1.086 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nnn(C)n2)s1 ZINC000226389062 358338057 /nfs/dbraw/zinc/33/80/57/358338057.db2.gz NNMXIOPOVNYMPE-UHFFFAOYSA-N 1 2 237.332 1.124 20 0 BDADLO CC(C)c1cnc(C[N@H+](C)CCO)s1 ZINC000134871140 325380212 /nfs/dbraw/zinc/38/02/12/325380212.db2.gz PVDLVBZETKOMQV-UHFFFAOYSA-N 1 2 214.334 1.691 20 0 BDADLO CC(C)c1cnc(C[N@@H+](C)CCO)s1 ZINC000134871140 325380213 /nfs/dbraw/zinc/38/02/13/325380213.db2.gz PVDLVBZETKOMQV-UHFFFAOYSA-N 1 2 214.334 1.691 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000252684251 366413629 /nfs/dbraw/zinc/41/36/29/366413629.db2.gz QLRQBXVSNAZBPM-CKEKPRIKSA-N 1 2 237.303 1.085 20 0 BDADLO CCOC(=O)[C@@H](C)N(C)Cc1[nH+]cc(C)n1C ZINC000342796861 535422807 /nfs/dbraw/zinc/42/28/07/535422807.db2.gz BYDFXNHMZCEFMX-SNVBAGLBSA-N 1 2 239.319 1.112 20 0 BDADLO CCC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)OCC ZINC000228863049 358387208 /nfs/dbraw/zinc/38/72/08/358387208.db2.gz MEOUOPMTGIUBLV-GARJFASQSA-N 1 2 243.347 1.467 20 0 BDADLO CCCc1noc([C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000351182957 366443106 /nfs/dbraw/zinc/44/31/06/366443106.db2.gz KYJOAJPZKDPVGY-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CCCc1noc([C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000351182957 366443111 /nfs/dbraw/zinc/44/31/11/366443111.db2.gz KYJOAJPZKDPVGY-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)Cc1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000351189258 366445353 /nfs/dbraw/zinc/44/53/53/366445353.db2.gz UAFCSFZTMRLCRU-SECBINFHSA-N 1 2 225.292 1.271 20 0 BDADLO CC(C)Cc1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000351189258 366445358 /nfs/dbraw/zinc/44/53/58/366445358.db2.gz UAFCSFZTMRLCRU-SECBINFHSA-N 1 2 225.292 1.271 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000351191489 366446561 /nfs/dbraw/zinc/44/65/61/366446561.db2.gz YMIUNYWVKGFTMJ-LLVKDONJSA-N 1 2 245.282 1.740 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000351191489 366446566 /nfs/dbraw/zinc/44/65/66/366446566.db2.gz YMIUNYWVKGFTMJ-LLVKDONJSA-N 1 2 245.282 1.740 20 0 BDADLO CCC(CC)c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000351214815 366452055 /nfs/dbraw/zinc/45/20/55/366452055.db2.gz RAZNRLQQXZVJKR-JTQLQIEISA-N 1 2 239.319 1.976 20 0 BDADLO CCC(CC)c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000351214815 366452062 /nfs/dbraw/zinc/45/20/62/366452062.db2.gz RAZNRLQQXZVJKR-JTQLQIEISA-N 1 2 239.319 1.976 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1CCCC[C@@H]1O ZINC000231358449 358417112 /nfs/dbraw/zinc/41/71/12/358417112.db2.gz NVVCNWJUEYIYQX-UWVGGRQHSA-N 1 2 237.290 1.097 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1CCCC[C@@H]1O ZINC000231358449 358417114 /nfs/dbraw/zinc/41/71/14/358417114.db2.gz NVVCNWJUEYIYQX-UWVGGRQHSA-N 1 2 237.290 1.097 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008749 358430467 /nfs/dbraw/zinc/43/04/67/358430467.db2.gz JGXKINFHXJXXSG-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCc2c[nH]nc2C1 ZINC000611008749 358430469 /nfs/dbraw/zinc/43/04/69/358430469.db2.gz JGXKINFHXJXXSG-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008749 358430473 /nfs/dbraw/zinc/43/04/73/358430473.db2.gz JGXKINFHXJXXSG-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000611008749 358430475 /nfs/dbraw/zinc/43/04/75/358430475.db2.gz JGXKINFHXJXXSG-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000044424572 358549154 /nfs/dbraw/zinc/54/91/54/358549154.db2.gz KYPOCLRVBCMQBB-PSASIEDQSA-N 1 2 239.319 1.376 20 0 BDADLO C[C@H](O)CCC[NH+]1CCN(CC2CC2)CC1 ZINC000045620625 358563935 /nfs/dbraw/zinc/56/39/35/358563935.db2.gz KGHBTJFCZRHXCU-LBPRGKRZSA-N 1 2 226.364 1.175 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nnc[nH]1 ZINC000174821382 134282443 /nfs/dbraw/zinc/28/24/43/134282443.db2.gz UJEAPHGJTYBYAY-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc[nH]1 ZINC000174821382 134282444 /nfs/dbraw/zinc/28/24/44/134282444.db2.gz UJEAPHGJTYBYAY-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO CC[C@@H](Nc1ncc(F)cn1)c1[nH]cc[nH+]1 ZINC000125217093 358535703 /nfs/dbraw/zinc/53/57/03/358535703.db2.gz JDJIYSVFOUNINQ-MRVPVSSYSA-N 1 2 221.239 1.902 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)NCC(F)F)c2[nH+]ccn21 ZINC000640194630 358613392 /nfs/dbraw/zinc/61/33/92/358613392.db2.gz IAOUZYITMZLDQD-RQJHMYQMSA-N 1 2 244.245 1.453 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)NCC(F)F)c2[nH+]ccn21 ZINC000640194629 358613449 /nfs/dbraw/zinc/61/34/49/358613449.db2.gz IAOUZYITMZLDQD-RNFRBKRXSA-N 1 2 244.245 1.453 20 0 BDADLO O=C(CC1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212872612 358634361 /nfs/dbraw/zinc/63/43/61/358634361.db2.gz PJAOBUVWAZMZCF-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO O=C(CC1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212872612 358634364 /nfs/dbraw/zinc/63/43/64/358634364.db2.gz PJAOBUVWAZMZCF-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000130690066 358639742 /nfs/dbraw/zinc/63/97/42/358639742.db2.gz ZMQRGQIYHLAASC-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000130690066 358639745 /nfs/dbraw/zinc/63/97/45/358639745.db2.gz ZMQRGQIYHLAASC-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000129628309 358591451 /nfs/dbraw/zinc/59/14/51/358591451.db2.gz BEVUTISDQLDWKF-QWRGUYRKSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000129628309 358591454 /nfs/dbraw/zinc/59/14/54/358591454.db2.gz BEVUTISDQLDWKF-QWRGUYRKSA-N 1 2 229.320 1.437 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000049114075 358672930 /nfs/dbraw/zinc/67/29/30/358672930.db2.gz POZNBJRBWQHJJZ-JTQLQIEISA-N 1 2 245.282 1.846 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131652276 358687909 /nfs/dbraw/zinc/68/79/09/358687909.db2.gz KVVHNHNFCLBHDJ-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CC[C@H](Nc1nccn(C)c1=O)c1[nH]cc[nH+]1 ZINC000139841427 358748187 /nfs/dbraw/zinc/74/81/87/358748187.db2.gz UFXJPCXVSURJJT-QMMMGPOBSA-N 1 2 233.275 1.067 20 0 BDADLO CCCCc1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000051838724 358764458 /nfs/dbraw/zinc/76/44/58/358764458.db2.gz UGVPYXNJSDIMQS-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCCc1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000051838724 358764460 /nfs/dbraw/zinc/76/44/60/358764460.db2.gz UGVPYXNJSDIMQS-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CC(C)CCc1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000132113039 358707671 /nfs/dbraw/zinc/70/76/71/358707671.db2.gz VCWXQNDMRXPTJU-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)CCc1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000132113039 358707674 /nfs/dbraw/zinc/70/76/74/358707674.db2.gz VCWXQNDMRXPTJU-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613670872 363618040 /nfs/dbraw/zinc/61/80/40/363618040.db2.gz UNJBPNLKPGNSJH-NOOOWODRSA-N 1 2 245.326 1.360 20 0 BDADLO CCCc1cc(NC(=O)CCn2cc[nH+]c2)n[nH]1 ZINC000134627257 358799634 /nfs/dbraw/zinc/79/96/34/358799634.db2.gz GVAXCBZXFGKVCI-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)NCC1CC1 ZINC000055054701 358880701 /nfs/dbraw/zinc/88/07/01/358880701.db2.gz VYMOLEIAXDNMSS-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)NCC1CC1 ZINC000055054701 358880704 /nfs/dbraw/zinc/88/07/04/358880704.db2.gz VYMOLEIAXDNMSS-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO COC(C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)OC ZINC000136743921 358885604 /nfs/dbraw/zinc/88/56/04/358885604.db2.gz YBLFBLYERIYKOT-JTQLQIEISA-N 1 2 239.319 1.208 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCCn3nccc32)nc1 ZINC000640219655 358889139 /nfs/dbraw/zinc/88/91/39/358889139.db2.gz GFQQIIONTMJPPG-LLVKDONJSA-N 1 2 243.314 1.606 20 0 BDADLO Cn1cc[nH+]c1CN1C(=O)c2ccccc2C1=O ZINC000059853422 358920132 /nfs/dbraw/zinc/92/01/32/358920132.db2.gz ITAGFKOZXFAKBC-UHFFFAOYSA-N 1 2 241.250 1.216 20 0 BDADLO CC[C@H](NC(=O)c1cnc(C)cn1)c1[nH]cc[nH+]1 ZINC000140444676 358922530 /nfs/dbraw/zinc/92/25/30/358922530.db2.gz SKANLQPGHHFSCU-VIFPVBQESA-N 1 2 245.286 1.389 20 0 BDADLO CC[C@@H](NC(=O)C[C@@H](C)COC)c1[nH]cc[nH+]1 ZINC000140522331 358922698 /nfs/dbraw/zinc/92/26/98/358922698.db2.gz FSMFEDMCOXKEEO-NXEZZACHSA-N 1 2 239.319 1.650 20 0 BDADLO CC[C@@H](NC(=O)COC(C)(C)C)c1[nH]cc[nH+]1 ZINC000140670914 358924676 /nfs/dbraw/zinc/92/46/76/358924676.db2.gz ZIFCDNNBLOIBFE-SECBINFHSA-N 1 2 239.319 1.792 20 0 BDADLO CC[C@H](C(=O)OC)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180495 358928944 /nfs/dbraw/zinc/92/89/44/358928944.db2.gz YMWGHABMJUXGEH-MRVPVSSYSA-N 1 2 233.258 1.669 20 0 BDADLO CCc1cc(N[C@H](C)CC[S@@](C)=O)nc[nH+]1 ZINC000130270083 358995544 /nfs/dbraw/zinc/99/55/44/358995544.db2.gz XDBALVYBZBDYFT-ABKXIKBNSA-N 1 2 241.360 1.608 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1Cc2ccccc2O1 ZINC000070989951 359068526 /nfs/dbraw/zinc/06/85/26/359068526.db2.gz HGBKLOVPHSKWSY-LLVKDONJSA-N 1 2 243.266 1.030 20 0 BDADLO O=C(CCc1ccccc1)NCc1[nH]cc[nH+]1 ZINC000070990458 359069945 /nfs/dbraw/zinc/06/99/45/359069945.db2.gz ABUNSCQGJQAYLM-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO C[C@@H](Oc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000070991144 359070117 /nfs/dbraw/zinc/07/01/17/359070117.db2.gz JPQLFSFVLYNRHH-SNVBAGLBSA-N 1 2 245.282 1.493 20 0 BDADLO Cc1ccccc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000070990549 359070141 /nfs/dbraw/zinc/07/01/41/359070141.db2.gz ZOUCCFJHCDIAIB-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CC(C)(C)OC ZINC000181004244 535445340 /nfs/dbraw/zinc/44/53/40/535445340.db2.gz VILKVFZFOFRDEL-LLVKDONJSA-N 1 2 245.363 1.979 20 0 BDADLO CCOCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000073420841 359101894 /nfs/dbraw/zinc/10/18/94/359101894.db2.gz NVXHKJXPHWPSMY-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](O)C1 ZINC000074313767 359114261 /nfs/dbraw/zinc/11/42/61/359114261.db2.gz FYBTZBLDQRPEQC-APPZFPTMSA-N 1 2 223.276 1.075 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](O)C1 ZINC000074313767 359114266 /nfs/dbraw/zinc/11/42/66/359114266.db2.gz FYBTZBLDQRPEQC-APPZFPTMSA-N 1 2 223.276 1.075 20 0 BDADLO CCc1nc(CNCc2[nH+]ccn2C)cs1 ZINC000070798406 359064331 /nfs/dbraw/zinc/06/43/31/359064331.db2.gz PIZXURMPNBAYBE-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Cc1cc(NC(=O)Cn2cccn2)cc[nH+]1 ZINC000074696033 359124952 /nfs/dbraw/zinc/12/49/52/359124952.db2.gz KUGAXQFCLNXDPJ-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO O=C(Nc1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000074902453 359133755 /nfs/dbraw/zinc/13/37/55/359133755.db2.gz HOUBQUYJCPJFBP-UHFFFAOYSA-N 1 2 242.282 1.931 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000246819317 359167916 /nfs/dbraw/zinc/16/79/16/359167916.db2.gz NRDUZOPAOSRHOY-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000247997138 359251987 /nfs/dbraw/zinc/25/19/87/359251987.db2.gz JZOVEPOFIQDJGH-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000247997138 359251993 /nfs/dbraw/zinc/25/19/93/359251993.db2.gz JZOVEPOFIQDJGH-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000248137683 359255952 /nfs/dbraw/zinc/25/59/52/359255952.db2.gz PFFXORCTJOBZQF-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000248137683 359255955 /nfs/dbraw/zinc/25/59/55/359255955.db2.gz PFFXORCTJOBZQF-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000247205204 359201889 /nfs/dbraw/zinc/20/18/89/359201889.db2.gz LZOPWHZPVJLCHH-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@H]1CC ZINC000247205204 359201896 /nfs/dbraw/zinc/20/18/96/359201896.db2.gz LZOPWHZPVJLCHH-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H](F)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633276775 359273914 /nfs/dbraw/zinc/27/39/14/359273914.db2.gz JSTVDHLLJWLZCD-MRVPVSSYSA-N 1 2 228.271 1.299 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611502705 359378603 /nfs/dbraw/zinc/37/86/03/359378603.db2.gz XDSWUAJHOJQRFE-IVZWLZJFSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611502705 359378607 /nfs/dbraw/zinc/37/86/07/359378607.db2.gz XDSWUAJHOJQRFE-IVZWLZJFSA-N 1 2 217.284 1.618 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC000611648511 359408332 /nfs/dbraw/zinc/40/83/32/359408332.db2.gz BUXFMKRNIPPAHY-NNYUYHANSA-N 1 2 247.342 1.638 20 0 BDADLO Cc1nc(N2CCC[C@@H](C(C)C)CC2)nc(N)[nH+]1 ZINC000380791283 359654549 /nfs/dbraw/zinc/65/45/49/359654549.db2.gz LDGGFTUCOSSFRX-LLVKDONJSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](C(C)C)CC2)[nH+]1 ZINC000380791283 359654555 /nfs/dbraw/zinc/65/45/55/359654555.db2.gz LDGGFTUCOSSFRX-LLVKDONJSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1cc(NCCC2(CO)CC2)nc(C2CC2)[nH+]1 ZINC000450818739 202276012 /nfs/dbraw/zinc/27/60/12/202276012.db2.gz BKOATXUNCLSEHA-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2csnn2)CC[C@H]1C ZINC000450832330 202280906 /nfs/dbraw/zinc/28/09/06/202280906.db2.gz VKHJSRQJEPIUGY-WCABBAIRSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2csnn2)CC[C@H]1C ZINC000450832330 202280910 /nfs/dbraw/zinc/28/09/10/202280910.db2.gz VKHJSRQJEPIUGY-WCABBAIRSA-N 1 2 241.360 1.956 20 0 BDADLO CCc1ncc(CNc2cc[nH+]c(C)n2)o1 ZINC000450846659 202285214 /nfs/dbraw/zinc/28/52/14/202285214.db2.gz NAROMGUDQHGLRI-UHFFFAOYSA-N 1 2 218.260 1.369 20 0 BDADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000450857828 202292515 /nfs/dbraw/zinc/29/25/15/202292515.db2.gz KNWISPXSZDWNMW-SSDOTTSWSA-N 1 2 234.225 1.579 20 0 BDADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450857828 202292517 /nfs/dbraw/zinc/29/25/17/202292517.db2.gz KNWISPXSZDWNMW-SSDOTTSWSA-N 1 2 234.225 1.579 20 0 BDADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000450857828 202292519 /nfs/dbraw/zinc/29/25/19/202292519.db2.gz KNWISPXSZDWNMW-SSDOTTSWSA-N 1 2 234.225 1.579 20 0 BDADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450857828 202292521 /nfs/dbraw/zinc/29/25/21/202292521.db2.gz KNWISPXSZDWNMW-SSDOTTSWSA-N 1 2 234.225 1.579 20 0 BDADLO COC[C@@H](OC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000612226760 359740330 /nfs/dbraw/zinc/74/03/30/359740330.db2.gz OKRJPQFUOXARPW-LLVKDONJSA-N 1 2 238.287 1.298 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(C)[nH+]1 ZINC000612226648 359741006 /nfs/dbraw/zinc/74/10/06/359741006.db2.gz MYVIXRVKAPTRLP-IAZYJMLFSA-N 1 2 232.283 1.529 20 0 BDADLO Cc1cc(N2C[C@H](C)C[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000450933738 202313060 /nfs/dbraw/zinc/31/30/60/202313060.db2.gz AUOPFJMKJASTKC-BXKDBHETSA-N 1 2 247.342 1.870 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000451071798 202345756 /nfs/dbraw/zinc/34/57/56/202345756.db2.gz CFOFLQQLXMNFLE-JTQLQIEISA-N 1 2 206.293 1.427 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000451071798 202345760 /nfs/dbraw/zinc/34/57/60/202345760.db2.gz CFOFLQQLXMNFLE-JTQLQIEISA-N 1 2 206.293 1.427 20 0 BDADLO COC(=O)c1oc(C[N@@H+]2CC[C@H](F)C2)cc1C ZINC000451181055 202369302 /nfs/dbraw/zinc/36/93/02/202369302.db2.gz DPRAYXBSKOZEKJ-VIFPVBQESA-N 1 2 241.262 1.918 20 0 BDADLO COC(=O)c1oc(C[N@H+]2CC[C@H](F)C2)cc1C ZINC000451181055 202369303 /nfs/dbraw/zinc/36/93/03/202369303.db2.gz DPRAYXBSKOZEKJ-VIFPVBQESA-N 1 2 241.262 1.918 20 0 BDADLO CC(C)[N@H+](CC(=O)N1CCCCC1)C1COC1 ZINC000451121896 202357656 /nfs/dbraw/zinc/35/76/56/202357656.db2.gz UWBXYKOCUZZMGC-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)[N@@H+](CC(=O)N1CCCCC1)C1COC1 ZINC000451121896 202357658 /nfs/dbraw/zinc/35/76/58/202357658.db2.gz UWBXYKOCUZZMGC-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO COc1ncccc1C[N@H+](C(C)C)C1COC1 ZINC000451120571 202357803 /nfs/dbraw/zinc/35/78/03/202357803.db2.gz MKBMZOJAOOKXQF-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@@H+](C(C)C)C1COC1 ZINC000451120571 202357806 /nfs/dbraw/zinc/35/78/06/202357806.db2.gz MKBMZOJAOOKXQF-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451130867 202362425 /nfs/dbraw/zinc/36/24/25/202362425.db2.gz PBNXVXZQFBRATN-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451130867 202362428 /nfs/dbraw/zinc/36/24/28/202362428.db2.gz PBNXVXZQFBRATN-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)CC(C)(C)CO ZINC000451245278 202386064 /nfs/dbraw/zinc/38/60/64/202386064.db2.gz HEYUVVHZWHTMHE-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)CC(C)(C)CO ZINC000451245278 202386067 /nfs/dbraw/zinc/38/60/67/202386067.db2.gz HEYUVVHZWHTMHE-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451183864 202373582 /nfs/dbraw/zinc/37/35/82/202373582.db2.gz JJTDDFZKFWBHDF-VXGBXAGGSA-N 1 2 244.354 1.923 20 0 BDADLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451183864 202373585 /nfs/dbraw/zinc/37/35/85/202373585.db2.gz JJTDDFZKFWBHDF-VXGBXAGGSA-N 1 2 244.354 1.923 20 0 BDADLO COC[C@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000087263081 359904509 /nfs/dbraw/zinc/90/45/09/359904509.db2.gz ARUOHQMZGULHGY-SECBINFHSA-N 1 2 225.292 1.041 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H](F)C2)c(C)n1 ZINC000451197469 202378175 /nfs/dbraw/zinc/37/81/75/202378175.db2.gz OHWIPXDHTQYWEY-SNVBAGLBSA-N 1 2 225.267 1.337 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H](F)C2)c(C)n1 ZINC000451197469 202378177 /nfs/dbraw/zinc/37/81/77/202378177.db2.gz OHWIPXDHTQYWEY-SNVBAGLBSA-N 1 2 225.267 1.337 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)no1 ZINC000087409592 359910878 /nfs/dbraw/zinc/91/08/78/359910878.db2.gz QYZCSMDUXBVSQT-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO CC[N@H+](Cc1nc2cccnc2s1)C1COC1 ZINC000451281784 202393888 /nfs/dbraw/zinc/39/38/88/202393888.db2.gz AFZMWLPVZWGJPZ-UHFFFAOYSA-N 1 2 249.339 1.912 20 0 BDADLO CC[N@@H+](Cc1nc2cccnc2s1)C1COC1 ZINC000451281784 202393890 /nfs/dbraw/zinc/39/38/90/202393890.db2.gz AFZMWLPVZWGJPZ-UHFFFAOYSA-N 1 2 249.339 1.912 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC(C)(C)CO ZINC000451256956 202390230 /nfs/dbraw/zinc/39/02/30/202390230.db2.gz UQYQVVKGYQAKCL-UHFFFAOYSA-N 1 2 240.351 1.309 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC(C)(C)CO ZINC000451256956 202390233 /nfs/dbraw/zinc/39/02/33/202390233.db2.gz UQYQVVKGYQAKCL-UHFFFAOYSA-N 1 2 240.351 1.309 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(O)cc1F ZINC000578687981 366626926 /nfs/dbraw/zinc/62/69/26/366626926.db2.gz CNBXOAZMEPCXFG-UHFFFAOYSA-N 1 2 249.245 1.446 20 0 BDADLO OC1(CNc2cc(N3CCCC3)nc[nH+]2)CCC1 ZINC000578709674 366628172 /nfs/dbraw/zinc/62/81/72/366628172.db2.gz RWVRHKIFAVLTEA-UHFFFAOYSA-N 1 2 248.330 1.404 20 0 BDADLO OC1(CNc2cc(N3CCCC3)[nH+]cn2)CCC1 ZINC000578709674 366628174 /nfs/dbraw/zinc/62/81/74/366628174.db2.gz RWVRHKIFAVLTEA-UHFFFAOYSA-N 1 2 248.330 1.404 20 0 BDADLO O[C@H](CNc1cc(NC2CC2)nc[nH+]1)C1CCC1 ZINC000578725172 366632459 /nfs/dbraw/zinc/63/24/59/366632459.db2.gz CSNIDBQLYBCGLE-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H](CNc1cc(NC2CC2)[nH+]cn1)C1CCC1 ZINC000578725172 366632465 /nfs/dbraw/zinc/63/24/65/366632465.db2.gz CSNIDBQLYBCGLE-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)ccn1 ZINC000578763273 366642290 /nfs/dbraw/zinc/64/22/90/366642290.db2.gz SAOUFGCKHFQZMX-LLVKDONJSA-N 1 2 233.315 1.091 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2c(s1)CCC2 ZINC000088753617 359976232 /nfs/dbraw/zinc/97/62/32/359976232.db2.gz MQBAJPWUWXGXCO-UHFFFAOYSA-N 1 2 247.323 1.890 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2c(s1)CCC2 ZINC000088753617 359976238 /nfs/dbraw/zinc/97/62/38/359976238.db2.gz MQBAJPWUWXGXCO-UHFFFAOYSA-N 1 2 247.323 1.890 20 0 BDADLO Cn1ccnc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000169270882 360019967 /nfs/dbraw/zinc/01/99/67/360019967.db2.gz SOPCLFLDSDCPSS-CQSZACIVSA-N 1 2 245.326 1.417 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000578958596 366679875 /nfs/dbraw/zinc/67/98/75/366679875.db2.gz SZAZTGRWDVGRGP-ZNSHCXBVSA-N 1 2 248.330 1.987 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnn(CC)c1 ZINC000091980387 360139287 /nfs/dbraw/zinc/13/92/87/360139287.db2.gz MDYALNGTQLDICH-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnn(CC)c1 ZINC000091980387 360139292 /nfs/dbraw/zinc/13/92/92/360139292.db2.gz MDYALNGTQLDICH-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cn(C)nc1C ZINC000091980177 360140272 /nfs/dbraw/zinc/14/02/72/360140272.db2.gz VZGFBVZPRPRHMO-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cn(C)nc1C ZINC000091980177 360140275 /nfs/dbraw/zinc/14/02/75/360140275.db2.gz VZGFBVZPRPRHMO-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000091926865 360136743 /nfs/dbraw/zinc/13/67/43/360136743.db2.gz WJWVYEMJTYRBKM-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000091926865 360136744 /nfs/dbraw/zinc/13/67/44/360136744.db2.gz WJWVYEMJTYRBKM-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO CC[N@@H+](CC(C)=O)C[C@@H]1COc2ccccc2O1 ZINC000612912971 360183782 /nfs/dbraw/zinc/18/37/82/360183782.db2.gz CTIVRRZDWPWZEK-GFCCVEGCSA-N 1 2 249.310 1.737 20 0 BDADLO CC[N@H+](CC(C)=O)C[C@@H]1COc2ccccc2O1 ZINC000612912971 360183787 /nfs/dbraw/zinc/18/37/87/360183787.db2.gz CTIVRRZDWPWZEK-GFCCVEGCSA-N 1 2 249.310 1.737 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000093773293 360275514 /nfs/dbraw/zinc/27/55/14/360275514.db2.gz KJZUMVQSNAYVIC-NSHDSACASA-N 1 2 241.331 1.605 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000093773293 360275515 /nfs/dbraw/zinc/27/55/15/360275515.db2.gz KJZUMVQSNAYVIC-NSHDSACASA-N 1 2 241.331 1.605 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096641894 360351292 /nfs/dbraw/zinc/35/12/92/360351292.db2.gz LUMQSVDPLFBGEJ-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000633722691 360386991 /nfs/dbraw/zinc/38/69/91/360386991.db2.gz SUVLLGNEEOHKNX-MRVPVSSYSA-N 1 2 239.294 1.379 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000633722691 360386996 /nfs/dbraw/zinc/38/69/96/360386996.db2.gz SUVLLGNEEOHKNX-MRVPVSSYSA-N 1 2 239.294 1.379 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000098000544 360387195 /nfs/dbraw/zinc/38/71/95/360387195.db2.gz ZNXVQDSTAVRUES-GRYCIOLGSA-N 1 2 241.331 1.581 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000098000544 360387200 /nfs/dbraw/zinc/38/72/00/360387200.db2.gz ZNXVQDSTAVRUES-GRYCIOLGSA-N 1 2 241.331 1.581 20 0 BDADLO Cc1nocc1CNc1cc(C)[nH+]cn1 ZINC000397873110 363726262 /nfs/dbraw/zinc/72/62/62/363726262.db2.gz IWMDTNDQQWRUMW-UHFFFAOYSA-N 1 2 204.233 1.115 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000096786431 360354984 /nfs/dbraw/zinc/35/49/84/360354984.db2.gz VAQXKBDPVMOGNN-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000096786431 360354988 /nfs/dbraw/zinc/35/49/88/360354988.db2.gz VAQXKBDPVMOGNN-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCc1cnc(C[N@H+](C)CCc2cnccn2)o1 ZINC000537841273 360398952 /nfs/dbraw/zinc/39/89/52/360398952.db2.gz OCJUYPOKEPHAIW-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CCc1cnc(C[N@@H+](C)CCc2cnccn2)o1 ZINC000537841273 360398958 /nfs/dbraw/zinc/39/89/58/360398958.db2.gz OCJUYPOKEPHAIW-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000614152294 363737963 /nfs/dbraw/zinc/73/79/63/363737963.db2.gz WQHNGWZBHOTEEY-UYNYGYNWSA-N 1 2 245.326 1.438 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1CC=CC1 ZINC000628542954 360551759 /nfs/dbraw/zinc/55/17/59/360551759.db2.gz ODKXYGPHENXRRI-UHFFFAOYSA-N 1 2 233.315 1.746 20 0 BDADLO COc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]n1 ZINC000628626744 360582461 /nfs/dbraw/zinc/58/24/61/360582461.db2.gz AZDRIPPXMULWIK-MRVPVSSYSA-N 1 2 249.274 1.205 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccsc1 ZINC000309527525 491149994 /nfs/dbraw/zinc/14/99/94/491149994.db2.gz CVNRTVINSVQACN-SFYZADRCSA-N 1 2 237.332 1.683 20 0 BDADLO NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000027846194 181305043 /nfs/dbraw/zinc/30/50/43/181305043.db2.gz UNNSMCKKXBJFOF-UHFFFAOYSA-N 1 2 201.229 1.030 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(C1CC1)C1CC1 ZINC000628813454 360665940 /nfs/dbraw/zinc/66/59/40/360665940.db2.gz SACQDZPYXWICGO-SNVBAGLBSA-N 1 2 245.326 1.599 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCC(C)(C)C ZINC000628915192 360748890 /nfs/dbraw/zinc/74/88/90/360748890.db2.gz ACJPOQSYONNROL-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCC(C)(C)C ZINC000628915192 360748895 /nfs/dbraw/zinc/74/88/95/360748895.db2.gz ACJPOQSYONNROL-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)C(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914903 360749159 /nfs/dbraw/zinc/74/91/59/360749159.db2.gz NUDKXZMVDANRJU-NSHDSACASA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)C(C)(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914903 360749163 /nfs/dbraw/zinc/74/91/63/360749163.db2.gz NUDKXZMVDANRJU-NSHDSACASA-N 1 2 242.363 1.115 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000629033473 360817594 /nfs/dbraw/zinc/81/75/94/360817594.db2.gz VTIVYFFZWRCZQV-MXQLGCADSA-N 1 2 219.288 1.138 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)c[nH+]1 ZINC000629140777 360899545 /nfs/dbraw/zinc/89/95/45/360899545.db2.gz YMYVKYBBTBUROB-ONGXEEELSA-N 1 2 235.287 1.015 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CO[C@H](C3CC3)C2)c[nH+]1 ZINC000629140775 360899552 /nfs/dbraw/zinc/89/95/52/360899552.db2.gz YMYVKYBBTBUROB-KOLCDFICSA-N 1 2 235.287 1.015 20 0 BDADLO NC(=S)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000089202723 181320538 /nfs/dbraw/zinc/32/05/38/181320538.db2.gz ASUVMZVCHARNLO-UHFFFAOYSA-N 1 2 203.270 1.711 20 0 BDADLO CCc1nocc1C[NH2+]Cc1conc1C ZINC000631209741 361075684 /nfs/dbraw/zinc/07/56/84/361075684.db2.gz ZAUBBVLWCLEYRI-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO C[C@H]1C[C@H](N2C(=O)[C@H](C)N(C)C2=O)c2[nH+]ccn21 ZINC000629475898 361087788 /nfs/dbraw/zinc/08/77/88/361087788.db2.gz SNQCBKIJLVUWET-CIUDSAMLSA-N 1 2 248.286 1.171 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)nn1 ZINC000424197290 200885578 /nfs/dbraw/zinc/88/55/78/200885578.db2.gz NWMAUZKERAOJQX-CHWSQXEVSA-N 1 2 246.289 1.542 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640479971 361261622 /nfs/dbraw/zinc/26/16/22/361261622.db2.gz TUUDMWLDFLYYJP-PSASIEDQSA-N 1 2 210.302 1.018 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640479971 361261628 /nfs/dbraw/zinc/26/16/28/361261628.db2.gz TUUDMWLDFLYYJP-PSASIEDQSA-N 1 2 210.302 1.018 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640480590 361263950 /nfs/dbraw/zinc/26/39/50/361263950.db2.gz VRFISMGISXKINH-BXKDBHETSA-N 1 2 238.356 1.662 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cs1 ZINC000640480590 361263952 /nfs/dbraw/zinc/26/39/52/361263952.db2.gz VRFISMGISXKINH-BXKDBHETSA-N 1 2 238.356 1.662 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)C3CC3)ccn12 ZINC000579022372 366698719 /nfs/dbraw/zinc/69/87/19/366698719.db2.gz VOOMRSHNVQPYHK-UHFFFAOYSA-N 1 2 229.283 1.877 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000248966137 325629859 /nfs/dbraw/zinc/62/98/59/325629859.db2.gz BQTSKHRQDPQHBM-GARJFASQSA-N 1 2 231.336 1.467 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2CCO)[nH]1 ZINC000428439619 201018563 /nfs/dbraw/zinc/01/85/63/201018563.db2.gz METJMHRJKUTZAA-SNVBAGLBSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2CCO)[nH]1 ZINC000428439619 201018566 /nfs/dbraw/zinc/01/85/66/201018566.db2.gz METJMHRJKUTZAA-SNVBAGLBSA-N 1 2 238.335 1.275 20 0 BDADLO CCc1nc(C)c(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000428471276 201023129 /nfs/dbraw/zinc/02/31/29/201023129.db2.gz WHGVXQALVYKXRC-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CCc1nc(C)c(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000428471276 201023132 /nfs/dbraw/zinc/02/31/32/201023132.db2.gz WHGVXQALVYKXRC-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO COC1(C)CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000428348888 201009355 /nfs/dbraw/zinc/00/93/55/201009355.db2.gz QDRPXHVIJHPBNQ-UHFFFAOYSA-N 1 2 224.308 1.114 20 0 BDADLO Nc1ccc(NC(=O)c2c[nH]c(C3CC3)n2)c[nH+]1 ZINC000428892994 201047268 /nfs/dbraw/zinc/04/72/68/201047268.db2.gz SHMMWLVBIFBRPP-UHFFFAOYSA-N 1 2 243.270 1.347 20 0 BDADLO Cc1cc(N2CC[C@H](C)[S@@](=O)CC2)nc[nH+]1 ZINC000428664143 201032156 /nfs/dbraw/zinc/03/21/56/201032156.db2.gz AKOFUFNCWJRXAE-QFYYESIMSA-N 1 2 239.344 1.132 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)C1CC1 ZINC000079768364 370692213 /nfs/dbraw/zinc/69/22/13/370692213.db2.gz CRMGVGANANRQGC-SNVBAGLBSA-N 1 2 229.320 1.031 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)C1CC1 ZINC000079768364 370692216 /nfs/dbraw/zinc/69/22/16/370692216.db2.gz CRMGVGANANRQGC-SNVBAGLBSA-N 1 2 229.320 1.031 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H](O)C1CC1 ZINC000614275106 363768098 /nfs/dbraw/zinc/76/80/98/363768098.db2.gz FYJONEIVYRFTIQ-LLVKDONJSA-N 1 2 231.255 1.044 20 0 BDADLO CCC[C@@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275980 363768119 /nfs/dbraw/zinc/76/81/19/363768119.db2.gz QVGAVMDJYXQIEY-CYBMUJFWSA-N 1 2 247.298 1.824 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614243784 363759461 /nfs/dbraw/zinc/75/94/61/363759461.db2.gz FGZOPQPFGNEYLD-AEJSXWLSSA-N 1 2 233.315 1.524 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614243784 363759465 /nfs/dbraw/zinc/75/94/65/363759465.db2.gz FGZOPQPFGNEYLD-AEJSXWLSSA-N 1 2 233.315 1.524 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C[C@@H](C)OC ZINC000428986474 201059834 /nfs/dbraw/zinc/05/98/34/201059834.db2.gz ZIQSAFCJYIENTG-SNVBAGLBSA-N 1 2 240.351 1.785 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)C[C@@H](C)OC ZINC000428986474 201059836 /nfs/dbraw/zinc/05/98/36/201059836.db2.gz ZIQSAFCJYIENTG-SNVBAGLBSA-N 1 2 240.351 1.785 20 0 BDADLO CCn1ncnc1C[N@H+](C)C(C)(C)COC ZINC000429260251 201086368 /nfs/dbraw/zinc/08/63/68/201086368.db2.gz ALDKCXXQWBEYNZ-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncnc1C[N@@H+](C)C(C)(C)COC ZINC000429260251 201086371 /nfs/dbraw/zinc/08/63/71/201086371.db2.gz ALDKCXXQWBEYNZ-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1oc(CC)nc1C ZINC000429162952 201076825 /nfs/dbraw/zinc/07/68/25/201076825.db2.gz TXDPNENSIBJCSQ-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1oc(CC)nc1C ZINC000429162952 201076829 /nfs/dbraw/zinc/07/68/29/201076829.db2.gz TXDPNENSIBJCSQ-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)OC ZINC000429234553 201080578 /nfs/dbraw/zinc/08/05/78/201080578.db2.gz OVLPJYDOCPKXTG-ZYHUDNBSSA-N 1 2 249.310 1.401 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000579271560 366753414 /nfs/dbraw/zinc/75/34/14/366753414.db2.gz FPSVHTHITRRVNA-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO c1nc(N2CCCC2)ncc1C[NH+]1CC2(CC2)C1 ZINC000579315012 366758581 /nfs/dbraw/zinc/75/85/81/366758581.db2.gz GUJGPYSATFWPGY-UHFFFAOYSA-N 1 2 244.342 1.673 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000429572682 201118871 /nfs/dbraw/zinc/11/88/71/201118871.db2.gz WADWXYSWBGFUBH-UWVGGRQHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000429572682 201118873 /nfs/dbraw/zinc/11/88/73/201118873.db2.gz WADWXYSWBGFUBH-UWVGGRQHSA-N 1 2 239.319 1.836 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ncc(CC)s1 ZINC000430143070 201146579 /nfs/dbraw/zinc/14/65/79/201146579.db2.gz WNVCOWNPMHPPNY-UHFFFAOYSA-N 1 2 241.360 1.403 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ncc(CC)s1 ZINC000430143070 201146582 /nfs/dbraw/zinc/14/65/82/201146582.db2.gz WNVCOWNPMHPPNY-UHFFFAOYSA-N 1 2 241.360 1.403 20 0 BDADLO CCc1cc(N[C@H](CO)C(C)(C)C)nc[nH+]1 ZINC000309964745 491158467 /nfs/dbraw/zinc/15/84/67/491158467.db2.gz MYJXCUWTDUWRPD-SNVBAGLBSA-N 1 2 223.320 1.858 20 0 BDADLO c1cc2[nH+]ccc(NC[C@H]3CCCOC3)c2cn1 ZINC000433807255 201196163 /nfs/dbraw/zinc/19/61/63/201196163.db2.gz FDTYXRXXPBYEOC-LLVKDONJSA-N 1 2 243.310 1.890 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000152579618 201201378 /nfs/dbraw/zinc/20/13/78/201201378.db2.gz FBXOPKIXQISMND-NSHDSACASA-N 1 2 248.330 1.633 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2(O)CCCC2)no1 ZINC000152063988 201189685 /nfs/dbraw/zinc/18/96/85/201189685.db2.gz KDARPXFFLDYLFD-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+](C)CC2(O)CCCC2)no1 ZINC000152063988 201189689 /nfs/dbraw/zinc/18/96/89/201189689.db2.gz KDARPXFFLDYLFD-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](C)C[C@@H](C)O)[nH+]1 ZINC000433796383 201194063 /nfs/dbraw/zinc/19/40/63/201194063.db2.gz LUCZKPSENJWUNC-RKDXNWHRSA-N 1 2 248.330 1.507 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)OC[C@@H]2C)[nH+]1 ZINC000433773055 201194668 /nfs/dbraw/zinc/19/46/68/201194668.db2.gz GFKSEMPDKGDYPL-IUCAKERBSA-N 1 2 246.314 1.880 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC(F)(F)F ZINC000036893188 361577181 /nfs/dbraw/zinc/57/71/81/361577181.db2.gz HMTVRFGCGPMTMZ-UHFFFAOYSA-N 1 2 231.181 1.338 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000154542299 201284204 /nfs/dbraw/zinc/28/42/04/201284204.db2.gz JNVNDOUWPBCIHP-VHSXEESVSA-N 1 2 231.361 1.813 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000436041392 201307035 /nfs/dbraw/zinc/30/70/35/201307035.db2.gz CXVZFAMVOQBFMH-UTUOFQBUSA-N 1 2 240.347 1.012 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000436041391 201307179 /nfs/dbraw/zinc/30/71/79/201307179.db2.gz CXVZFAMVOQBFMH-TUAOUCFPSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](c1ccccc1)[C@@H](O)CN1CC[NH+](C)CC1 ZINC000450243039 201309968 /nfs/dbraw/zinc/30/99/68/201309968.db2.gz QYDFMTGZVASDPL-ZFWWWQNUSA-N 1 2 248.370 1.398 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000437898661 201378444 /nfs/dbraw/zinc/37/84/44/201378444.db2.gz BPBKXKDDVXWBLE-NSHDSACASA-N 1 2 249.358 1.737 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000437898661 201378448 /nfs/dbraw/zinc/37/84/48/201378448.db2.gz BPBKXKDDVXWBLE-NSHDSACASA-N 1 2 249.358 1.737 20 0 BDADLO C[C@H]([NH2+][C@H]1CCn2ccnc21)[C@@H](O)C(F)(F)F ZINC000631716158 364088975 /nfs/dbraw/zinc/08/89/75/364088975.db2.gz JBGOKKDLXDPKJY-BIIVOSGPSA-N 1 2 249.236 1.229 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnc[nH]1 ZINC000622083056 370699454 /nfs/dbraw/zinc/69/94/54/370699454.db2.gz XLERMOBIPRXSRJ-QMMMGPOBSA-N 1 2 233.275 1.117 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COC(F)F ZINC000622083635 370699561 /nfs/dbraw/zinc/69/95/61/370699561.db2.gz JHFFORQUPSKKOP-SSDOTTSWSA-N 1 2 247.245 1.319 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ncoc1C ZINC000622082292 370699867 /nfs/dbraw/zinc/69/98/67/370699867.db2.gz KLVGZMAENPXIBK-QMMMGPOBSA-N 1 2 248.286 1.690 20 0 BDADLO Cc1ccc(CNC(=O)NCCn2cc[nH+]c2)o1 ZINC000630404419 364135650 /nfs/dbraw/zinc/13/56/50/364135650.db2.gz DMAUCFWNELMVHZ-UHFFFAOYSA-N 1 2 248.286 1.284 20 0 BDADLO COC[C@]1(C)C[C@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000630606483 364329622 /nfs/dbraw/zinc/32/96/22/364329622.db2.gz YQZAHWIGKOJAIE-NEPJUHHUSA-N 1 2 247.302 1.120 20 0 BDADLO Fc1cccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)c1 ZINC000630596427 364310621 /nfs/dbraw/zinc/31/06/21/364310621.db2.gz HKRZJQKTUGUYPV-LBPRGKRZSA-N 1 2 248.261 1.067 20 0 BDADLO CCc1nocc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000615039905 364408507 /nfs/dbraw/zinc/40/85/07/364408507.db2.gz VGKXQRNRYQISTG-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCC1(C)CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615107324 364496875 /nfs/dbraw/zinc/49/68/75/364496875.db2.gz ATKPMQYFYKYVIN-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO CCC1(C)CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615107324 364496883 /nfs/dbraw/zinc/49/68/83/364496883.db2.gz ATKPMQYFYKYVIN-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO Cc1nc(NCc2nnc(C(C)C)n2C)cc[nH+]1 ZINC000182035257 366861938 /nfs/dbraw/zinc/86/19/38/366861938.db2.gz WNAVNNDYBSRLIJ-UHFFFAOYSA-N 1 2 246.318 1.649 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000615233519 364649513 /nfs/dbraw/zinc/64/95/13/364649513.db2.gz HZNLJQCYOAWELO-URLYPYJESA-N 1 2 246.310 1.753 20 0 BDADLO CCc1cnc(C[N@H+](CC)CCOCCO)o1 ZINC000554565223 364689736 /nfs/dbraw/zinc/68/97/36/364689736.db2.gz DRNYKRDINZOQBK-UHFFFAOYSA-N 1 2 242.319 1.068 20 0 BDADLO CCc1cnc(C[N@@H+](CC)CCOCCO)o1 ZINC000554565223 364689744 /nfs/dbraw/zinc/68/97/44/364689744.db2.gz DRNYKRDINZOQBK-UHFFFAOYSA-N 1 2 242.319 1.068 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615363048 364733945 /nfs/dbraw/zinc/73/39/45/364733945.db2.gz IOMCNZRHDXEOLV-LNFKQOIKSA-N 1 2 233.315 1.390 20 0 BDADLO CCc1ocnc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568532799 364764900 /nfs/dbraw/zinc/76/49/00/364764900.db2.gz LEVRAINQAPMBJB-SSDOTTSWSA-N 1 2 234.259 1.451 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000573555557 364859353 /nfs/dbraw/zinc/85/93/53/364859353.db2.gz WIINBYYELRYBDQ-VWYCJHECSA-N 1 2 248.330 1.940 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccsn1 ZINC000573697107 364896077 /nfs/dbraw/zinc/89/60/77/364896077.db2.gz RFMXLQFWXCSTID-UHFFFAOYSA-N 1 2 236.300 1.290 20 0 BDADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000573700734 364898428 /nfs/dbraw/zinc/89/84/28/364898428.db2.gz YAZXIVAZVOFDNH-UHFFFAOYSA-N 1 2 249.236 1.588 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cscn1 ZINC000617820717 364923293 /nfs/dbraw/zinc/92/32/93/364923293.db2.gz DIAWYPTWBAUIHY-QMMMGPOBSA-N 1 2 236.300 1.217 20 0 BDADLO C[C@@]12C[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333755494 541409376 /nfs/dbraw/zinc/40/93/76/541409376.db2.gz YMGRDZTVLDJLJO-COMAGPEQSA-N 1 2 248.330 1.378 20 0 BDADLO C[C@@]12C[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333755494 541409381 /nfs/dbraw/zinc/40/93/81/541409381.db2.gz YMGRDZTVLDJLJO-COMAGPEQSA-N 1 2 248.330 1.378 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC000573907956 364941117 /nfs/dbraw/zinc/94/11/17/364941117.db2.gz DZTFDDQNCAYSCD-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015519 541424243 /nfs/dbraw/zinc/42/42/43/541424243.db2.gz XQVIUMNREMEPLH-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCC1(C)C ZINC000336015310 541424466 /nfs/dbraw/zinc/42/44/66/541424466.db2.gz WZCNZZLFHJUSFU-NSHDSACASA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000574043473 364974998 /nfs/dbraw/zinc/97/49/98/364974998.db2.gz CYOHTBJOMUCDME-JBLDHEPKSA-N 1 2 247.342 1.990 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000574043473 364974999 /nfs/dbraw/zinc/97/49/99/364974999.db2.gz CYOHTBJOMUCDME-JBLDHEPKSA-N 1 2 247.342 1.990 20 0 BDADLO Cc1cc(N2CCC[C@@H](n3ccnn3)C2)nc[nH+]1 ZINC000574751431 365135290 /nfs/dbraw/zinc/13/52/90/365135290.db2.gz DNKWXKCMHBWYBQ-LLVKDONJSA-N 1 2 244.302 1.218 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCCC1CC1 ZINC000574565731 365090449 /nfs/dbraw/zinc/09/04/49/365090449.db2.gz CIRLGXZVZZCBOR-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO COC[C@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574576136 365095023 /nfs/dbraw/zinc/09/50/23/365095023.db2.gz IJJQWRKRDFYITN-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000574749572 365133468 /nfs/dbraw/zinc/13/34/68/365133468.db2.gz LKFNMABPFIHHJX-MRTMQBJTSA-N 1 2 239.344 1.448 20 0 BDADLO CC[C@@H](F)CS(=O)(=O)Cc1[nH+]ccn1CC ZINC000443055171 193011116 /nfs/dbraw/zinc/01/11/16/193011116.db2.gz FATZIHNUCAGUEQ-SECBINFHSA-N 1 2 248.323 1.566 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(CF)CCC1 ZINC000574807060 365147975 /nfs/dbraw/zinc/14/79/75/365147975.db2.gz SKJRVMKLAOVUKQ-UHFFFAOYSA-N 1 2 240.282 1.112 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000443999817 193033649 /nfs/dbraw/zinc/03/36/49/193033649.db2.gz DUHSCGKKTCWMKA-SCZZXKLOSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@H]2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000443999817 193033651 /nfs/dbraw/zinc/03/36/51/193033651.db2.gz DUHSCGKKTCWMKA-SCZZXKLOSA-N 1 2 235.335 1.268 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccccc2N)n1 ZINC000575180324 365231728 /nfs/dbraw/zinc/23/17/28/365231728.db2.gz OAJOTSYATPXKCB-UHFFFAOYSA-N 1 2 232.287 1.156 20 0 BDADLO COC(=O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000575426900 365316308 /nfs/dbraw/zinc/31/63/08/365316308.db2.gz CRQGKNAEFMKUTB-UHFFFAOYSA-N 1 2 248.282 1.004 20 0 BDADLO COC(=O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000575426900 365316314 /nfs/dbraw/zinc/31/63/14/365316314.db2.gz CRQGKNAEFMKUTB-UHFFFAOYSA-N 1 2 248.282 1.004 20 0 BDADLO C[C@@H]1CCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000575763432 365358233 /nfs/dbraw/zinc/35/82/33/365358233.db2.gz TZDZJIZAWBFKBR-SNVBAGLBSA-N 1 2 236.319 1.014 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@](C)(O)CC1 ZINC000576052520 365465679 /nfs/dbraw/zinc/46/56/79/365465679.db2.gz NLDSAYGGEGKGBP-CYBMUJFWSA-N 1 2 235.331 1.835 20 0 BDADLO C[C@@H](CC(=O)N[C@@]1(C)CCOC1)n1cc[nH+]c1 ZINC000575991741 365438626 /nfs/dbraw/zinc/43/86/26/365438626.db2.gz BEYQPAKYDZBTLQ-JQWIXIFHSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@@H](CC(=O)N[C@]1(C)CCOC1)n1cc[nH+]c1 ZINC000575991740 365438786 /nfs/dbraw/zinc/43/87/86/365438786.db2.gz BEYQPAKYDZBTLQ-CMPLNLGQSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+](C)C[C@H]1CCCO1 ZINC000576169274 365509057 /nfs/dbraw/zinc/50/90/57/365509057.db2.gz DGTKEEAQYMOMNB-VHSXEESVSA-N 1 2 236.319 1.061 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)C[C@H]1CCCO1 ZINC000576169274 365509060 /nfs/dbraw/zinc/50/90/60/365509060.db2.gz DGTKEEAQYMOMNB-VHSXEESVSA-N 1 2 236.319 1.061 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nnc(C)o1 ZINC000182640604 366924791 /nfs/dbraw/zinc/92/47/91/366924791.db2.gz MXPVFBZAGHHCPB-QMMMGPOBSA-N 1 2 241.291 1.152 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nnc(C)o1 ZINC000182640604 366924792 /nfs/dbraw/zinc/92/47/92/366924792.db2.gz MXPVFBZAGHHCPB-QMMMGPOBSA-N 1 2 241.291 1.152 20 0 BDADLO Cc1nc(N2CC[C@@H]3OCC[C@@H]3C2)cc[nH+]1 ZINC000564903138 325824530 /nfs/dbraw/zinc/82/45/30/325824530.db2.gz HVCHOBKHSBIIEF-MNOVXSKESA-N 1 2 219.288 1.400 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](n3cncn3)C2)o1 ZINC000681600645 541492837 /nfs/dbraw/zinc/49/28/37/541492837.db2.gz AAGZTQJEKDXHQU-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](n3cncn3)C2)o1 ZINC000681600645 541492839 /nfs/dbraw/zinc/49/28/39/541492839.db2.gz AAGZTQJEKDXHQU-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000579707620 366985527 /nfs/dbraw/zinc/98/55/27/366985527.db2.gz BIYUZUMKIMDMMD-LLVKDONJSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000579707620 366985530 /nfs/dbraw/zinc/98/55/30/366985530.db2.gz BIYUZUMKIMDMMD-LLVKDONJSA-N 1 2 238.335 1.297 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000383659493 541514427 /nfs/dbraw/zinc/51/44/27/541514427.db2.gz IYANZOJUHMVANG-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1 ZINC000383659493 541514429 /nfs/dbraw/zinc/51/44/29/541514429.db2.gz IYANZOJUHMVANG-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CNC(=O)CSCc1c(C)[nH+]c2ccccn21 ZINC000440584615 201495239 /nfs/dbraw/zinc/49/52/39/201495239.db2.gz ODBWJYOAGAOVMX-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO CCN1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000185166071 367122935 /nfs/dbraw/zinc/12/29/35/367122935.db2.gz DWSCITUWTOHRNN-CYBMUJFWSA-N 1 2 242.363 1.167 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC[C@H]2C)[nH]1 ZINC000184585301 367084986 /nfs/dbraw/zinc/08/49/86/367084986.db2.gz ZGWWBRZKNHEZBQ-MRVPVSSYSA-N 1 2 226.349 1.304 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC[C@H]2C)[nH]1 ZINC000184585301 367084991 /nfs/dbraw/zinc/08/49/91/367084991.db2.gz ZGWWBRZKNHEZBQ-MRVPVSSYSA-N 1 2 226.349 1.304 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)COC(F)F)[nH+]1 ZINC000580838239 367184280 /nfs/dbraw/zinc/18/42/80/367184280.db2.gz AFZWIODUUSZYGU-UHFFFAOYSA-N 1 2 247.245 1.309 20 0 BDADLO CC(C)N(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000580784016 367166950 /nfs/dbraw/zinc/16/69/50/367166950.db2.gz XLMBYVAVWKXLDT-SNVBAGLBSA-N 1 2 235.331 1.988 20 0 BDADLO CC(C)N(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000580784016 367166958 /nfs/dbraw/zinc/16/69/58/367166958.db2.gz XLMBYVAVWKXLDT-SNVBAGLBSA-N 1 2 235.331 1.988 20 0 BDADLO CC[C@@H](C)[C@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000580934522 367208713 /nfs/dbraw/zinc/20/87/13/367208713.db2.gz DZWUYCDXLDHRAT-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO COC[C@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000193893682 367224244 /nfs/dbraw/zinc/22/42/44/367224244.db2.gz VTEINTHSDFRGAR-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO COC[C@H](C)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000193893682 367224248 /nfs/dbraw/zinc/22/42/48/367224248.db2.gz VTEINTHSDFRGAR-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000581064142 367249365 /nfs/dbraw/zinc/24/93/65/367249365.db2.gz CFZIVAUVPBFDMT-MWLCHTKSSA-N 1 2 234.303 1.207 20 0 BDADLO CC[C@H]([NH2+]Cc1cc[nH]n1)c1ccn(C)n1 ZINC000381312096 367379491 /nfs/dbraw/zinc/37/94/91/367379491.db2.gz ALHKZPHUTKANII-JTQLQIEISA-N 1 2 219.292 1.384 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2C[C@H]2C2CCC2)n1 ZINC000381488381 367418185 /nfs/dbraw/zinc/41/81/85/367418185.db2.gz KXHLIOQXPKPXHR-DTWKUNHWSA-N 1 2 207.277 1.693 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOC2CCC2)o1 ZINC000381762551 367455801 /nfs/dbraw/zinc/45/58/01/367455801.db2.gz UIKTVBNXIBXHQD-QMMMGPOBSA-N 1 2 225.292 1.598 20 0 BDADLO CC[C@@H](C)OCC(=O)Nc1cc(C)[nH+]cc1C ZINC000565550325 325926924 /nfs/dbraw/zinc/92/69/24/325926924.db2.gz YKXSUEHRKCTKDB-LLVKDONJSA-N 1 2 236.315 1.874 20 0 BDADLO Cc1nc(N2C[C@@H]3CCCC[C@@H]3C2)nc(N)[nH+]1 ZINC000383824580 367654528 /nfs/dbraw/zinc/65/45/28/367654528.db2.gz HVLQSEBZWFEBCW-AOOOYVTPSA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(N)nc(N2C[C@@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000383824580 367654532 /nfs/dbraw/zinc/65/45/32/367654532.db2.gz HVLQSEBZWFEBCW-AOOOYVTPSA-N 1 2 233.319 1.219 20 0 BDADLO CS[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581675266 367704871 /nfs/dbraw/zinc/70/48/71/367704871.db2.gz MTSFNSRUADBALZ-DTWKUNHWSA-N 1 2 241.360 1.456 20 0 BDADLO CS[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581675266 367704876 /nfs/dbraw/zinc/70/48/76/367704876.db2.gz MTSFNSRUADBALZ-DTWKUNHWSA-N 1 2 241.360 1.456 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ncccc1F ZINC000622361566 370868694 /nfs/dbraw/zinc/86/86/94/370868694.db2.gz MANQHPIAPQQSIQ-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO O=C(Cc1ccc(O)c(F)c1)NCc1[nH]cc[nH+]1 ZINC000622366817 370872163 /nfs/dbraw/zinc/87/21/63/370872163.db2.gz QHJMSQSAURTZEQ-UHFFFAOYSA-N 1 2 249.245 1.113 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000581820842 367831271 /nfs/dbraw/zinc/83/12/71/367831271.db2.gz YRWVELWUGPEYBA-NGZCFLSTSA-N 1 2 239.344 1.710 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000581820842 367831277 /nfs/dbraw/zinc/83/12/77/367831277.db2.gz YRWVELWUGPEYBA-NGZCFLSTSA-N 1 2 239.344 1.710 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000581854651 367843978 /nfs/dbraw/zinc/84/39/78/367843978.db2.gz LUXAOWYKEVPKBQ-SECBINFHSA-N 1 2 237.303 1.339 20 0 BDADLO CCC(=O)CCC[NH+]1CCN(C(=O)OC)CC1 ZINC000387030109 368043535 /nfs/dbraw/zinc/04/35/35/368043535.db2.gz OHFOZZOVOILSSQ-UHFFFAOYSA-N 1 2 242.319 1.130 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCn2cc[nH+]c2)n1 ZINC000581951985 368017647 /nfs/dbraw/zinc/01/76/47/368017647.db2.gz VDZCDIXTUIHXOY-SECBINFHSA-N 1 2 235.291 1.268 20 0 BDADLO Cc1noc([C@@H](C)N(C)CCn2cc[nH+]c2)n1 ZINC000581951985 368017656 /nfs/dbraw/zinc/01/76/56/368017656.db2.gz VDZCDIXTUIHXOY-SECBINFHSA-N 1 2 235.291 1.268 20 0 BDADLO C[C@@H](CC(=O)N1CC(C)C1)n1cc[nH+]c1 ZINC000566340200 326034808 /nfs/dbraw/zinc/03/48/08/326034808.db2.gz IPMWQPPYYBWKLE-JTQLQIEISA-N 1 2 207.277 1.313 20 0 BDADLO CC[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418933 326043374 /nfs/dbraw/zinc/04/33/74/326043374.db2.gz LJDPZHHAPJAFHA-VXNVDRBHSA-N 1 2 213.281 1.142 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000566418933 326043375 /nfs/dbraw/zinc/04/33/75/326043375.db2.gz LJDPZHHAPJAFHA-VXNVDRBHSA-N 1 2 213.281 1.142 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]1C1CC1 ZINC000615684942 368202577 /nfs/dbraw/zinc/20/25/77/368202577.db2.gz LGYVUFBRNBSFIJ-ZWNOBZJWSA-N 1 2 245.326 1.526 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]1C1CC1 ZINC000615684942 368202582 /nfs/dbraw/zinc/20/25/82/368202582.db2.gz LGYVUFBRNBSFIJ-ZWNOBZJWSA-N 1 2 245.326 1.526 20 0 BDADLO CS[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000042796409 368320905 /nfs/dbraw/zinc/32/09/05/368320905.db2.gz RJDAPYVCKNSASN-VIFPVBQESA-N 1 2 227.333 1.141 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(F)(F)F ZINC000042536066 368310627 /nfs/dbraw/zinc/31/06/27/368310627.db2.gz ASPUHNKAKAKZHD-ZETCQYMHSA-N 1 2 235.209 1.340 20 0 BDADLO COC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000044714289 368422053 /nfs/dbraw/zinc/42/20/53/368422053.db2.gz RKKQWRWZJUFAEC-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045785331 368432173 /nfs/dbraw/zinc/43/21/73/368432173.db2.gz IVXIMRGRYKKNLT-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045785331 368432174 /nfs/dbraw/zinc/43/21/74/368432174.db2.gz IVXIMRGRYKKNLT-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046886559 368453337 /nfs/dbraw/zinc/45/33/37/368453337.db2.gz KBJVMVZFVPYWMF-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO O=C(NC1CC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047608831 368465185 /nfs/dbraw/zinc/46/51/85/368465185.db2.gz RSZFRSDQPGPDHF-LLVKDONJSA-N 1 2 245.326 1.577 20 0 BDADLO COCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000057824728 368500900 /nfs/dbraw/zinc/50/09/00/368500900.db2.gz TVPNVTJMVDRWDN-UHFFFAOYSA-N 1 2 244.298 1.905 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)C/C=C/Cl ZINC000058453051 368511712 /nfs/dbraw/zinc/51/17/12/368511712.db2.gz IKERGXGOWBIUIA-VOTSOKGWSA-N 1 2 218.728 1.539 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)C/C=C/Cl ZINC000058453051 368511716 /nfs/dbraw/zinc/51/17/16/368511716.db2.gz IKERGXGOWBIUIA-VOTSOKGWSA-N 1 2 218.728 1.539 20 0 BDADLO CCCN(CCC)C(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000058755417 368518678 /nfs/dbraw/zinc/51/86/78/368518678.db2.gz SCALDLAXXIBOGG-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCN(CCC)C(=O)C[N@H+]1CCOC[C@@H]1C ZINC000058755417 368518682 /nfs/dbraw/zinc/51/86/82/368518682.db2.gz SCALDLAXXIBOGG-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCn1nnnc1C[N@H+](C(C)C)C1CC1 ZINC000061164323 368559963 /nfs/dbraw/zinc/55/99/63/368559963.db2.gz AUXLEKPLMQJAPA-UHFFFAOYSA-N 1 2 237.351 1.846 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C(C)C)C1CC1 ZINC000061164323 368559970 /nfs/dbraw/zinc/55/99/70/368559970.db2.gz AUXLEKPLMQJAPA-UHFFFAOYSA-N 1 2 237.351 1.846 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456386780 202941329 /nfs/dbraw/zinc/94/13/29/202941329.db2.gz NGPZWWIABDUXAT-VHSXEESVSA-N 1 2 239.319 1.505 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000066560435 368652396 /nfs/dbraw/zinc/65/23/96/368652396.db2.gz IUMOFBPZHKSHLK-LLVKDONJSA-N 1 2 238.718 1.790 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000066560435 368652401 /nfs/dbraw/zinc/65/24/01/368652401.db2.gz IUMOFBPZHKSHLK-LLVKDONJSA-N 1 2 238.718 1.790 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000622418715 370910998 /nfs/dbraw/zinc/91/09/98/370910998.db2.gz PUKYIMCKEZPJGG-LLVKDONJSA-N 1 2 245.326 1.916 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000622418715 370911003 /nfs/dbraw/zinc/91/10/03/370911003.db2.gz PUKYIMCKEZPJGG-LLVKDONJSA-N 1 2 245.326 1.916 20 0 BDADLO Cc1ccc(NC(=O)Cc2cncnc2)c(C)[nH+]1 ZINC000622425440 370913858 /nfs/dbraw/zinc/91/38/58/370913858.db2.gz CGESYSIKELNXIE-UHFFFAOYSA-N 1 2 242.282 1.670 20 0 BDADLO CCOCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068570068 368731484 /nfs/dbraw/zinc/73/14/84/368731484.db2.gz QKIPTERJTADKOI-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)C1CCC1 ZINC000457404253 203056258 /nfs/dbraw/zinc/05/62/58/203056258.db2.gz PYGVDPMZLYHEMI-SNVBAGLBSA-N 1 2 235.331 1.815 20 0 BDADLO CC(C)(NC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1[nH]cc[nH+]1 ZINC000615955111 368773112 /nfs/dbraw/zinc/77/31/12/368773112.db2.gz UYWATFMEEDYJAZ-MYJAWHEDSA-N 1 2 233.315 1.807 20 0 BDADLO CC[C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000073552225 368809112 /nfs/dbraw/zinc/80/91/12/368809112.db2.gz WTTXESWURCZHDN-JTQLQIEISA-N 1 2 209.293 1.388 20 0 BDADLO CC[C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000073922418 368821891 /nfs/dbraw/zinc/82/18/91/368821891.db2.gz DDKYGSTXEGLSDG-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)S1 ZINC000074095386 368828865 /nfs/dbraw/zinc/82/88/65/368828865.db2.gz CXMSKTNPUCXDTA-UWVGGRQHSA-N 1 2 239.344 1.236 20 0 BDADLO CCC1(O)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000072724256 368780076 /nfs/dbraw/zinc/78/00/76/368780076.db2.gz QHUJUEOHHLERNZ-UHFFFAOYSA-N 1 2 209.293 1.147 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccn(CC)c1 ZINC000616136014 368977546 /nfs/dbraw/zinc/97/75/46/368977546.db2.gz PRFLMZLWFLTFMH-NSHDSACASA-N 1 2 238.331 1.891 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccn(CC)c1 ZINC000616136014 368977550 /nfs/dbraw/zinc/97/75/50/368977550.db2.gz PRFLMZLWFLTFMH-NSHDSACASA-N 1 2 238.331 1.891 20 0 BDADLO Cc1cccn2c(NC(=O)[C@@H]3CCOC3)c[nH+]c12 ZINC000619013792 368954558 /nfs/dbraw/zinc/95/45/58/368954558.db2.gz YXDVVZNLXWVEAC-SNVBAGLBSA-N 1 2 245.282 1.618 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(C)(C)C ZINC000616111044 368957505 /nfs/dbraw/zinc/95/75/05/368957505.db2.gz AILJKOOZUOTNBE-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000616115346 368960029 /nfs/dbraw/zinc/96/00/29/368960029.db2.gz JOIRVCDCGFEERH-ITGUQSILSA-N 1 2 246.310 1.207 20 0 BDADLO CCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000616193842 369024253 /nfs/dbraw/zinc/02/42/53/369024253.db2.gz NUHXHFVDPXLIFY-GHMZBOCLSA-N 1 2 233.315 1.392 20 0 BDADLO COCC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000457556394 203073431 /nfs/dbraw/zinc/07/34/31/203073431.db2.gz HPPJEHUODGASKP-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457859735 203112700 /nfs/dbraw/zinc/11/27/00/203112700.db2.gz OIERNFGLHHFANW-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457846937 203111202 /nfs/dbraw/zinc/11/12/02/203111202.db2.gz CKZZDZIUVHPODV-JSGCOSHPSA-N 1 2 249.358 1.761 20 0 BDADLO CC(C)[C@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457863728 203114029 /nfs/dbraw/zinc/11/40/29/203114029.db2.gz SMHCEDAYLFMUND-LLVKDONJSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000458008762 203127438 /nfs/dbraw/zinc/12/74/38/203127438.db2.gz STFMAFADVCXSPV-GHMZBOCLSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCC1CCC1 ZINC000618617156 369185707 /nfs/dbraw/zinc/18/57/07/369185707.db2.gz SDVSOCQBWPYWAB-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000458107269 203134081 /nfs/dbraw/zinc/13/40/81/203134081.db2.gz COBOXWCPRUYQJH-NWDGAFQWSA-N 1 2 235.331 1.513 20 0 BDADLO CC1CC(NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000458506478 203178070 /nfs/dbraw/zinc/17/80/70/203178070.db2.gz WGBYPNQZIXYLOI-UHFFFAOYSA-N 1 2 236.319 1.060 20 0 BDADLO CCOCC[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000567604627 326227553 /nfs/dbraw/zinc/22/75/53/326227553.db2.gz LCTAJLRUJLMSCR-UHFFFAOYSA-N 1 2 226.276 1.346 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000567604627 326227557 /nfs/dbraw/zinc/22/75/57/326227557.db2.gz LCTAJLRUJLMSCR-UHFFFAOYSA-N 1 2 226.276 1.346 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000459399463 203273832 /nfs/dbraw/zinc/27/38/32/203273832.db2.gz LZIVVQULNJFAKB-GFCCVEGCSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000459399463 203273834 /nfs/dbraw/zinc/27/38/34/203273834.db2.gz LZIVVQULNJFAKB-GFCCVEGCSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000619133897 369292890 /nfs/dbraw/zinc/29/28/90/369292890.db2.gz FZHHHVZYWHHJSO-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO O=S1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459338406 203260011 /nfs/dbraw/zinc/26/00/11/203260011.db2.gz GPYPHMYKQFCEFJ-UHFFFAOYSA-N 1 2 245.388 1.258 20 0 BDADLO CC[N@H+](CCOCC1CCCC1)CC(=O)OC ZINC000459335777 203262221 /nfs/dbraw/zinc/26/22/21/203262221.db2.gz IOHFMWITAJVFFL-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CC[N@@H+](CCOCC1CCCC1)CC(=O)OC ZINC000459335777 203262225 /nfs/dbraw/zinc/26/22/25/203262225.db2.gz IOHFMWITAJVFFL-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO c1nc(C2CC2)ncc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459351111 203263835 /nfs/dbraw/zinc/26/38/35/203263835.db2.gz OPNKCBJTSSIQBR-BETUJISGSA-N 1 2 245.326 1.717 20 0 BDADLO c1nc(C2CC2)ncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459351111 203263837 /nfs/dbraw/zinc/26/38/37/203263837.db2.gz OPNKCBJTSSIQBR-BETUJISGSA-N 1 2 245.326 1.717 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619369852 369328612 /nfs/dbraw/zinc/32/86/12/369328612.db2.gz DXNXHGYPUMHSRG-DDHJBXDOSA-N 1 2 245.326 1.392 20 0 BDADLO CC(C)(C)OC(=O)CC[NH2+]Cc1ccn[nH]1 ZINC000164687874 203292012 /nfs/dbraw/zinc/29/20/12/203292012.db2.gz FTCPPBNQFHOKQI-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]2C[C@H]2C1 ZINC000619373666 369329925 /nfs/dbraw/zinc/32/99/25/369329925.db2.gz WIACXRNEAUSAIJ-AXFHLTTASA-N 1 2 245.326 1.383 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]2C[C@H]2C1 ZINC000619373666 369329928 /nfs/dbraw/zinc/32/99/28/369329928.db2.gz WIACXRNEAUSAIJ-AXFHLTTASA-N 1 2 245.326 1.383 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2C(C)(C)C2(F)F)c[nH+]1 ZINC000619394941 369333891 /nfs/dbraw/zinc/33/38/91/369333891.db2.gz YMUPAAZQKVKTDG-QMMMGPOBSA-N 1 2 243.257 1.739 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619337172 369312762 /nfs/dbraw/zinc/31/27/62/369312762.db2.gz FSUULTTWSAVPLD-GMTAPVOTSA-N 1 2 233.315 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619337172 369312767 /nfs/dbraw/zinc/31/27/67/369312767.db2.gz FSUULTTWSAVPLD-GMTAPVOTSA-N 1 2 233.315 1.457 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[C@H]2C1 ZINC000619339992 369314478 /nfs/dbraw/zinc/31/44/78/369314478.db2.gz VOOGWUOTHOYPHF-TUAOUCFPSA-N 1 2 245.326 1.314 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cnc2cnccn12 ZINC000623680025 369381719 /nfs/dbraw/zinc/38/17/19/369381719.db2.gz USSDEFITDDCOJQ-UHFFFAOYSA-N 1 2 240.257 1.864 20 0 BDADLO CCc1nocc1C[NH+]1CC(C)(OC)C1 ZINC000459582157 203307031 /nfs/dbraw/zinc/30/70/31/203307031.db2.gz LTDDSYOEBANQPB-UHFFFAOYSA-N 1 2 210.277 1.458 20 0 BDADLO CC[C@](COC)([NH2+]CCCSC)C(=O)OC ZINC000459584522 203307781 /nfs/dbraw/zinc/30/77/81/203307781.db2.gz HLWTWWLDFHQLCK-LLVKDONJSA-N 1 2 249.376 1.297 20 0 BDADLO COc1c(O)cccc1C[NH+]1CC(C)(OC)C1 ZINC000459592668 203308951 /nfs/dbraw/zinc/30/89/51/203308951.db2.gz VGUNHAAKJLBKDD-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CCCC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459599803 203311754 /nfs/dbraw/zinc/31/17/54/203311754.db2.gz YFNFNLXDNSYHSN-LLVKDONJSA-N 1 2 217.309 1.344 20 0 BDADLO Cc1ncccc1C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000459620204 203318178 /nfs/dbraw/zinc/31/81/78/203318178.db2.gz QEVIZBNVQDYIOI-UHFFFAOYSA-N 1 2 245.326 1.100 20 0 BDADLO COc1cc(F)cc(C[NH+]2CC(C)(CO)C2)c1 ZINC000459620465 203318542 /nfs/dbraw/zinc/31/85/42/203318542.db2.gz LKSDMRGVWOYPGM-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1CC ZINC000403845973 369412683 /nfs/dbraw/zinc/41/26/83/369412683.db2.gz FBXFJYCYRCQZNY-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000403845973 369412687 /nfs/dbraw/zinc/41/26/87/369412687.db2.gz FBXFJYCYRCQZNY-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOC1(C)C[NH+](Cc2cccnc2)C1 ZINC000459622986 203322168 /nfs/dbraw/zinc/32/21/68/203322168.db2.gz POKBPGBTGLZXCH-UHFFFAOYSA-N 1 2 206.289 1.692 20 0 BDADLO COc1ccc[nH+]c1NC[C@](C)(O)CSC ZINC000230150234 369430875 /nfs/dbraw/zinc/43/08/75/369430875.db2.gz PIYZFIOUUWLKEC-NSHDSACASA-N 1 2 242.344 1.616 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ncc(C)o1 ZINC000567812233 326261506 /nfs/dbraw/zinc/26/15/06/326261506.db2.gz NJNNBULUADHQPQ-IVZWLZJFSA-N 1 2 226.276 1.047 20 0 BDADLO COCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515726 369457103 /nfs/dbraw/zinc/45/71/03/369457103.db2.gz WIJGTTVLJXJPFQ-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO COCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619515726 369457107 /nfs/dbraw/zinc/45/71/07/369457107.db2.gz WIJGTTVLJXJPFQ-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@H](CO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631032137 370969845 /nfs/dbraw/zinc/96/98/45/370969845.db2.gz VQDCQBMVUSDYFZ-VIFPVBQESA-N 1 2 246.314 1.440 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459746122 203351442 /nfs/dbraw/zinc/35/14/42/203351442.db2.gz YZOODKXHUQKLIC-NSHDSACASA-N 1 2 239.290 1.539 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459746122 203351446 /nfs/dbraw/zinc/35/14/46/203351446.db2.gz YZOODKXHUQKLIC-NSHDSACASA-N 1 2 239.290 1.539 20 0 BDADLO C[C@H]1CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000619662878 369515675 /nfs/dbraw/zinc/51/56/75/369515675.db2.gz KDBWUNFOAOWFQN-NSHDSACASA-N 1 2 248.330 1.687 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620075076 369708502 /nfs/dbraw/zinc/70/85/02/369708502.db2.gz PCZJYAMQKCKNFO-OTYXRUKQSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620075076 369708508 /nfs/dbraw/zinc/70/85/08/369708508.db2.gz PCZJYAMQKCKNFO-OTYXRUKQSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1(CC(C)C)CC1 ZINC000620284960 369801164 /nfs/dbraw/zinc/80/11/64/369801164.db2.gz PRUXXJBKJXXGNO-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1cc(CC(=O)N[C@@H](C)c2[nH+]ccn2C)no1 ZINC000620601809 369950483 /nfs/dbraw/zinc/95/04/83/369950483.db2.gz ZTACFPWNRDQAOY-VIFPVBQESA-N 1 2 248.286 1.136 20 0 BDADLO COC[C@@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620602771 369950723 /nfs/dbraw/zinc/95/07/23/369950723.db2.gz DUCYXFBMRSLISF-VHSXEESVSA-N 1 2 239.319 1.270 20 0 BDADLO C[C@H](NC(=O)[C@]1(C)CCOC1)c1[nH+]ccn1C ZINC000620603379 369951344 /nfs/dbraw/zinc/95/13/44/369951344.db2.gz HDRGLALGIIBVSI-JOYOIKCWSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H](NC(=O)C1(C)CCC1)c1[nH+]ccn1C ZINC000620603835 369951681 /nfs/dbraw/zinc/95/16/81/369951681.db2.gz NTNBFPUNSXZUMR-SECBINFHSA-N 1 2 221.304 1.788 20 0 BDADLO Cc1cccnc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604821 369953393 /nfs/dbraw/zinc/95/33/93/369953393.db2.gz XHPINPFMPHWUIQ-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](NC(=O)c1ncccc1F)c1[nH+]ccn1C ZINC000620607280 369955205 /nfs/dbraw/zinc/95/52/05/369955205.db2.gz GLXFDWSGYUCPLE-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CC12CC2)c1[nH+]ccn1C ZINC000620610168 369957214 /nfs/dbraw/zinc/95/72/14/369957214.db2.gz FOLVYLLDLWWMCD-IUCAKERBSA-N 1 2 219.288 1.397 20 0 BDADLO C[C@H](NC(=O)[C@@]1(C)CC1(F)F)c1[nH+]ccn1C ZINC000620612221 369957904 /nfs/dbraw/zinc/95/79/04/369957904.db2.gz RYADMZPMQRYKCX-OIBJUYFYSA-N 1 2 243.257 1.643 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1[nH+]ccn1C ZINC000620612576 369957937 /nfs/dbraw/zinc/95/79/37/369957937.db2.gz YXYYWNOZKUWSRK-ZDCRXTMVSA-N 1 2 249.314 1.165 20 0 BDADLO C[C@H](NC(=O)[C@]1(C)CC1(F)F)c1[nH+]ccn1C ZINC000620612223 369957942 /nfs/dbraw/zinc/95/79/42/369957942.db2.gz RYADMZPMQRYKCX-XVKPBYJWSA-N 1 2 243.257 1.643 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NCC1CC=CC1 ZINC000623705316 369979157 /nfs/dbraw/zinc/97/91/57/369979157.db2.gz QWFGVLPJJZECMJ-UHFFFAOYSA-N 1 2 234.303 1.149 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620648795 369972404 /nfs/dbraw/zinc/97/24/04/369972404.db2.gz KVEHFDXRCAQLSI-VIFPVBQESA-N 1 2 233.271 1.616 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccnc1 ZINC000074859452 370048206 /nfs/dbraw/zinc/04/82/06/370048206.db2.gz UCGVNJJSWFCUKA-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO CC(F)(F)CNc1nc[nH+]c(N)c1Cl ZINC000307596432 370005861 /nfs/dbraw/zinc/00/58/61/370005861.db2.gz MHSICEFIYYUUAY-UHFFFAOYSA-N 1 2 222.626 1.779 20 0 BDADLO CC(F)(F)CNc1[nH+]cnc(N)c1Cl ZINC000307596432 370005862 /nfs/dbraw/zinc/00/58/62/370005862.db2.gz MHSICEFIYYUUAY-UHFFFAOYSA-N 1 2 222.626 1.779 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCO1 ZINC000074859407 370048238 /nfs/dbraw/zinc/04/82/38/370048238.db2.gz LOFULFGHZAVXGR-SNVBAGLBSA-N 1 2 231.255 1.452 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000621045669 370081098 /nfs/dbraw/zinc/08/10/98/370081098.db2.gz QOSIDTYGXJWRJQ-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621297870 370226589 /nfs/dbraw/zinc/22/65/89/370226589.db2.gz BDQOKLJSINEYQE-NSHDSACASA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cncc(Cl)c1 ZINC000621297870 370226591 /nfs/dbraw/zinc/22/65/91/370226591.db2.gz BDQOKLJSINEYQE-NSHDSACASA-N 1 2 226.707 1.956 20 0 BDADLO C[N@H+](Cc1cncc(Cl)c1)[C@@H]1CCNC1=O ZINC000621270919 370203140 /nfs/dbraw/zinc/20/31/40/370203140.db2.gz OYWGZFXAHWKFKJ-SNVBAGLBSA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1cncc(Cl)c1)[C@@H]1CCNC1=O ZINC000621270919 370203147 /nfs/dbraw/zinc/20/31/47/370203147.db2.gz OYWGZFXAHWKFKJ-SNVBAGLBSA-N 1 2 239.706 1.055 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCC(F)(F)C2)C1 ZINC000568206284 326326303 /nfs/dbraw/zinc/32/63/03/326326303.db2.gz IWKDEBVACCOYIS-UHFFFAOYSA-N 1 2 232.274 1.196 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cocn2)cn1 ZINC000309907059 370275049 /nfs/dbraw/zinc/27/50/49/370275049.db2.gz KWUKVSROESSBPE-UHFFFAOYSA-N 1 2 220.276 1.571 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1CO ZINC000621347733 370282659 /nfs/dbraw/zinc/28/26/59/370282659.db2.gz KVPALSLGURFWNX-ZYHUDNBSSA-N 1 2 247.342 1.809 20 0 BDADLO CN(C(=O)C[NH+]1CCCC1)c1nccs1 ZINC000076426089 370285993 /nfs/dbraw/zinc/28/59/93/370285993.db2.gz PVPDLBZROVRUFM-UHFFFAOYSA-N 1 2 225.317 1.202 20 0 BDADLO CCc1cc(NCC2CC(C)C2)nc[nH+]1 ZINC000621353457 370288451 /nfs/dbraw/zinc/28/84/51/370288451.db2.gz VKOSCISTUZAPFX-UHFFFAOYSA-N 1 2 205.305 1.919 20 0 BDADLO CCc1cc(NC[C@H](O)[C@@H](C)CC)nc[nH+]1 ZINC000310018477 370289127 /nfs/dbraw/zinc/28/91/27/370289127.db2.gz LZLPDMGHTIGJPJ-ONGXEEELSA-N 1 2 223.320 1.858 20 0 BDADLO Cc1nc(N2CC(CC3CC3)C2)nc(N(C)C)[nH+]1 ZINC000621359834 370294065 /nfs/dbraw/zinc/29/40/65/370294065.db2.gz YQSHBBZZFPCRCF-UHFFFAOYSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(CC3CC3)C2)[nH+]1 ZINC000621359834 370294073 /nfs/dbraw/zinc/29/40/73/370294073.db2.gz YQSHBBZZFPCRCF-UHFFFAOYSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](CO)C2)no1 ZINC000621371980 370309853 /nfs/dbraw/zinc/30/98/53/370309853.db2.gz NBRRKTZFOUSJQP-YWVKMMECSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](CO)C2)no1 ZINC000621371980 370309855 /nfs/dbraw/zinc/30/98/55/370309855.db2.gz NBRRKTZFOUSJQP-YWVKMMECSA-N 1 2 239.319 1.389 20 0 BDADLO CN(C)C(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621400234 370339315 /nfs/dbraw/zinc/33/93/15/370339315.db2.gz BCXHJSLBNPTCEW-LLVKDONJSA-N 1 2 248.317 1.878 20 0 BDADLO CCN(CC1CC1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077223652 370401291 /nfs/dbraw/zinc/40/12/91/370401291.db2.gz ZCFBCZWOYQWTPK-UHFFFAOYSA-N 1 2 243.314 1.899 20 0 BDADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000077286472 370409408 /nfs/dbraw/zinc/40/94/08/370409408.db2.gz YYJAHADWLJESHG-GFCCVEGCSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000077286472 370409414 /nfs/dbraw/zinc/40/94/14/370409414.db2.gz YYJAHADWLJESHG-GFCCVEGCSA-N 1 2 249.314 1.261 20 0 BDADLO CCOC(=O)CC[N@H+](Cc1ccon1)C1CC1 ZINC000077655347 370449150 /nfs/dbraw/zinc/44/91/50/370449150.db2.gz RCSPCHNFLNRVTO-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO CCOC(=O)CC[N@@H+](Cc1ccon1)C1CC1 ZINC000077655347 370449155 /nfs/dbraw/zinc/44/91/55/370449155.db2.gz RCSPCHNFLNRVTO-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nccnc1C ZINC000621709745 370454996 /nfs/dbraw/zinc/45/49/96/370454996.db2.gz CLMTWKQKZPKLLR-CMPLNLGQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nccnc1C ZINC000621709745 370454998 /nfs/dbraw/zinc/45/49/98/370454998.db2.gz CLMTWKQKZPKLLR-CMPLNLGQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1nccnc1C ZINC000621722653 370473874 /nfs/dbraw/zinc/47/38/74/370473874.db2.gz DQAWWKHIFWAHLA-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1nccnc1C ZINC000621722653 370473880 /nfs/dbraw/zinc/47/38/80/370473880.db2.gz DQAWWKHIFWAHLA-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1nccnc1C)CC2 ZINC000621721931 370474067 /nfs/dbraw/zinc/47/40/67/370474067.db2.gz FGJNUHWTCNRQGO-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CCO[C@@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000568402816 326354976 /nfs/dbraw/zinc/35/49/76/326354976.db2.gz XKMSANGVKAQOOG-VIFPVBQESA-N 1 2 239.319 1.494 20 0 BDADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccno1 ZINC000066695599 370603366 /nfs/dbraw/zinc/60/33/66/370603366.db2.gz LSIODVUWJCHJMH-UHFFFAOYSA-N 1 2 225.292 1.021 20 0 BDADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccno1 ZINC000066695599 370603372 /nfs/dbraw/zinc/60/33/72/370603372.db2.gz LSIODVUWJCHJMH-UHFFFAOYSA-N 1 2 225.292 1.021 20 0 BDADLO CC(C)(C(=O)Nc1cncnc1)c1c[nH+]c[nH]1 ZINC000621955623 370620687 /nfs/dbraw/zinc/62/06/87/370620687.db2.gz KRLITXMONCEMKR-UHFFFAOYSA-N 1 2 231.259 1.116 20 0 BDADLO CC(C)(C(=O)Nc1cncnc1)c1c[nH]c[nH+]1 ZINC000621955623 370620694 /nfs/dbraw/zinc/62/06/94/370620694.db2.gz KRLITXMONCEMKR-UHFFFAOYSA-N 1 2 231.259 1.116 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@@H](C)CO)[nH+]1 ZINC000631050138 371096950 /nfs/dbraw/zinc/09/69/50/371096950.db2.gz DMEQLTSIBFYJNJ-QMMMGPOBSA-N 1 2 234.303 1.296 20 0 BDADLO CSC[C@](C)(O)CNc1cc[nH+]cc1F ZINC000389941433 371183322 /nfs/dbraw/zinc/18/33/22/371183322.db2.gz ORLWOJITHXYUCA-SNVBAGLBSA-N 1 2 230.308 1.169 20 0 BDADLO COc1ccc[nH+]c1NCc1cc(C)ncn1 ZINC000624066387 371288466 /nfs/dbraw/zinc/28/84/66/371288466.db2.gz ILRSEESBNXZUFB-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO C/C=C\CNC(=O)NCc1[nH+]ccn1CC ZINC000624150555 371347327 /nfs/dbraw/zinc/34/73/27/371347327.db2.gz NGJZRFPNDDKFPZ-HYXAFXHYSA-N 1 2 222.292 1.278 20 0 BDADLO Cc1nc(N(C)[C@@H](C)c2ccccn2)nc(N)[nH+]1 ZINC000631079953 371489393 /nfs/dbraw/zinc/48/93/93/371489393.db2.gz QSYSMIYZEHCPJW-QMMMGPOBSA-N 1 2 244.302 1.185 20 0 BDADLO Cc1nc(N)nc(N(C)[C@@H](C)c2ccccn2)[nH+]1 ZINC000631079953 371489395 /nfs/dbraw/zinc/48/93/95/371489395.db2.gz QSYSMIYZEHCPJW-QMMMGPOBSA-N 1 2 244.302 1.185 20 0 BDADLO C=C/C(C)=C\CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370958 371587986 /nfs/dbraw/zinc/58/79/86/371587986.db2.gz RGBHSCRMDBOIGF-WMZJFQQLSA-N 1 2 231.299 1.817 20 0 BDADLO C=C/C(C)=C\CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370958 371587988 /nfs/dbraw/zinc/58/79/88/371587988.db2.gz RGBHSCRMDBOIGF-WMZJFQQLSA-N 1 2 231.299 1.817 20 0 BDADLO O=C(CCC(F)(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000627369381 371588497 /nfs/dbraw/zinc/58/84/97/371588497.db2.gz RNYFGNCUUHDWPI-UHFFFAOYSA-N 1 2 247.220 1.637 20 0 BDADLO O=C(CCC(F)(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000627369381 371588502 /nfs/dbraw/zinc/58/85/02/371588502.db2.gz RNYFGNCUUHDWPI-UHFFFAOYSA-N 1 2 247.220 1.637 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373541 371591753 /nfs/dbraw/zinc/59/17/53/371591753.db2.gz UWFIOXJTAVYMSP-GHMZBOCLSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373541 371591757 /nfs/dbraw/zinc/59/17/57/371591757.db2.gz UWFIOXJTAVYMSP-GHMZBOCLSA-N 1 2 247.342 1.977 20 0 BDADLO CCc1cc(NCCCOCCOC)nc[nH+]1 ZINC000226528570 371688225 /nfs/dbraw/zinc/68/82/25/371688225.db2.gz IMANPEQXRSOLRT-UHFFFAOYSA-N 1 2 239.319 1.504 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@@H]1CO ZINC000276632292 181834706 /nfs/dbraw/zinc/83/47/06/181834706.db2.gz SYOODSGDGMEAEX-PLWSPRCSSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000375754139 181854501 /nfs/dbraw/zinc/85/45/01/181854501.db2.gz JHXAJLSRIXEDKF-QMMMGPOBSA-N 1 2 229.230 1.312 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC13CC3)CC2 ZINC000627831959 372044598 /nfs/dbraw/zinc/04/45/98/372044598.db2.gz UUVJCQFUWHGCJA-WDEREUQCSA-N 1 2 245.326 1.423 20 0 BDADLO Cc1nc(N2CC[C@@]3(CC[C@H](C)C3)C2)nc(N)[nH+]1 ZINC000631204137 372234145 /nfs/dbraw/zinc/23/41/45/372234145.db2.gz YNMHMKSELCAUPJ-TVQRCGJNSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@]3(CC[C@H](C)C3)C2)[nH+]1 ZINC000631204137 372234149 /nfs/dbraw/zinc/23/41/49/372234149.db2.gz YNMHMKSELCAUPJ-TVQRCGJNSA-N 1 2 247.346 1.609 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccncc1 ZINC000631208365 372237536 /nfs/dbraw/zinc/23/75/36/372237536.db2.gz WSYLPXGOQJUWDZ-JTQLQIEISA-N 1 2 244.298 1.267 20 0 BDADLO OCCCN(CCO)c1cc2ccccc2c[nH+]1 ZINC000631132333 372205077 /nfs/dbraw/zinc/20/50/77/372205077.db2.gz GTYVXNIXYCLSLK-UHFFFAOYSA-N 1 2 246.310 1.416 20 0 BDADLO CCCN(CC(N)=O)c1cc2ccccc2c[nH+]1 ZINC000631288435 372278739 /nfs/dbraw/zinc/27/87/39/372278739.db2.gz PVPYGUXVUGPUFK-UHFFFAOYSA-N 1 2 243.310 1.937 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000631300914 372284612 /nfs/dbraw/zinc/28/46/12/372284612.db2.gz GXDMUMZLHXSNFG-DTORHVGOSA-N 1 2 246.314 1.438 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]2c2cccnc2)cc[nH+]1 ZINC000631356361 372311414 /nfs/dbraw/zinc/31/14/14/372311414.db2.gz WCAMCUXVSIJGRW-STQMWFEESA-N 1 2 240.310 1.818 20 0 BDADLO Cc1cc(N2CC(Cc3cnn(C)c3)C2)nc[nH+]1 ZINC000631374851 372321996 /nfs/dbraw/zinc/32/19/96/372321996.db2.gz BHGPPMNFDFBQOV-UHFFFAOYSA-N 1 2 243.314 1.197 20 0 BDADLO Cc1noc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000631431658 372360543 /nfs/dbraw/zinc/36/05/43/372360543.db2.gz WEIRQKORJXCSEE-SVRRBLITSA-N 1 2 247.258 1.010 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](CO)C2)nc[nH+]1 ZINC000631426364 372356749 /nfs/dbraw/zinc/35/67/49/372356749.db2.gz OXIVPVVLPFWSBU-WAAGHKOSSA-N 1 2 207.277 1.222 20 0 BDADLO O[C@@H]1CCOC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000631529942 372411495 /nfs/dbraw/zinc/41/14/95/372411495.db2.gz RCZVNFNTEOTCCY-CHWSQXEVSA-N 1 2 244.294 1.797 20 0 BDADLO c1cn2cc(C[NH+]3CCSCC3)nc2s1 ZINC000171627328 372713757 /nfs/dbraw/zinc/71/37/57/372713757.db2.gz GKZAHZVLIJQUMN-UHFFFAOYSA-N 1 2 239.369 1.945 20 0 BDADLO O=C(COc1cc[nH+]cc1)N1CCCCCC1 ZINC000276402988 182005025 /nfs/dbraw/zinc/00/50/25/182005025.db2.gz DOBIUIJDUXDSCQ-UHFFFAOYSA-N 1 2 234.299 1.863 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc[nH+]cc1O ZINC000333565750 182021424 /nfs/dbraw/zinc/02/14/24/182021424.db2.gz OUXZUHVLIKIDLI-UTLUCORTSA-N 1 2 232.283 1.584 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)C[C@H](O)C1CC1 ZINC000685460554 487528095 /nfs/dbraw/zinc/52/80/95/487528095.db2.gz BCWSOIHGDTVPJF-NSHDSACASA-N 1 2 243.738 1.276 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000685460554 487528096 /nfs/dbraw/zinc/52/80/96/487528096.db2.gz BCWSOIHGDTVPJF-NSHDSACASA-N 1 2 243.738 1.276 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOCC1CC1 ZINC000172764389 373068711 /nfs/dbraw/zinc/06/87/11/373068711.db2.gz VXOZCQZJNUFCLL-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOCC1CC1 ZINC000172764389 373068714 /nfs/dbraw/zinc/06/87/14/373068714.db2.gz VXOZCQZJNUFCLL-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO Cc1nc(N[C@@H]2CCCC(C)(C)C2)nc(N)[nH+]1 ZINC000379841209 373071878 /nfs/dbraw/zinc/07/18/78/373071878.db2.gz BSPKNHKERRYNGB-SECBINFHSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC(C)(C)C2)[nH+]1 ZINC000379841209 373071890 /nfs/dbraw/zinc/07/18/90/373071890.db2.gz BSPKNHKERRYNGB-SECBINFHSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@H](C)CS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632750234 373126283 /nfs/dbraw/zinc/12/62/83/373126283.db2.gz UCMOVJMGINYGJC-VIFPVBQESA-N 1 2 245.348 1.217 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@@H]1C1CC1 ZINC000329712000 182085551 /nfs/dbraw/zinc/08/55/51/182085551.db2.gz PJTQIITVQWNLJF-BDAKNGLRSA-N 1 2 218.256 1.194 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632986239 373242879 /nfs/dbraw/zinc/24/28/79/373242879.db2.gz VNDDFYUZVBDEGD-UWVGGRQHSA-N 1 2 236.319 1.740 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC12CC2 ZINC000633032936 373257077 /nfs/dbraw/zinc/25/70/77/373257077.db2.gz DMROFQCBEFNLGP-SNVBAGLBSA-N 1 2 248.330 1.552 20 0 BDADLO CC(C)[C@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633096677 373293853 /nfs/dbraw/zinc/29/38/53/373293853.db2.gz LYTGHOYVRFJSSO-SNVBAGLBSA-N 1 2 238.335 1.843 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000633203855 373342237 /nfs/dbraw/zinc/34/22/37/373342237.db2.gz PLXQWDXCOPYXSA-VHSXEESVSA-N 1 2 234.303 1.350 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1C(F)F ZINC000633240142 373395762 /nfs/dbraw/zinc/39/57/62/373395762.db2.gz VGVXTJSJJVHASE-CBAPKCEASA-N 1 2 243.257 1.454 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1C(F)F ZINC000633240142 373395766 /nfs/dbraw/zinc/39/57/66/373395766.db2.gz VGVXTJSJJVHASE-CBAPKCEASA-N 1 2 243.257 1.454 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633280015 373443696 /nfs/dbraw/zinc/44/36/96/373443696.db2.gz CMVJZYIKFOVLRN-ZJUUUORDSA-N 1 2 236.319 1.597 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CSC1 ZINC000633288624 373453035 /nfs/dbraw/zinc/45/30/35/373453035.db2.gz NLFCLNVPALLESW-MRVPVSSYSA-N 1 2 239.344 1.443 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1CC=CC1 ZINC000633365614 373499975 /nfs/dbraw/zinc/49/99/75/373499975.db2.gz SGVOTUKOPWTACE-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC(C)(C)F ZINC000633393290 373520487 /nfs/dbraw/zinc/52/04/87/373520487.db2.gz NASANUVHODZDQU-UHFFFAOYSA-N 1 2 228.271 1.299 20 0 BDADLO CC(C)(F)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000633722550 373713686 /nfs/dbraw/zinc/71/36/86/373713686.db2.gz QZVWAUFDEBCZGD-UHFFFAOYSA-N 1 2 216.300 1.193 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C(F)F ZINC000278541815 182169496 /nfs/dbraw/zinc/16/94/96/182169496.db2.gz CFJFUZGMFPOOEN-UHFFFAOYSA-N 1 2 229.230 1.265 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CCCCO1 ZINC000269377150 182189557 /nfs/dbraw/zinc/18/95/57/182189557.db2.gz FUFOKXOFDVHFNX-NSHDSACASA-N 1 2 249.314 1.179 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCSC1 ZINC000352708729 182215552 /nfs/dbraw/zinc/21/55/52/182215552.db2.gz XLYQDWHLOYNENX-SNVBAGLBSA-N 1 2 239.344 1.143 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccco1 ZINC000041392502 374138247 /nfs/dbraw/zinc/13/82/47/374138247.db2.gz GQIVDFGBAOEHDZ-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000041392502 374138252 /nfs/dbraw/zinc/13/82/52/374138252.db2.gz GQIVDFGBAOEHDZ-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO C[C@H](CC1CCC1)NC(=O)CCn1cc[nH+]c1 ZINC000634368187 374213702 /nfs/dbraw/zinc/21/37/02/374213702.db2.gz ZGMKLJTUIUKSAF-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccnc(C2CC2)n1 ZINC000358138111 182274491 /nfs/dbraw/zinc/27/44/91/182274491.db2.gz PCRBTWCVQOYMGX-UHFFFAOYSA-N 1 2 243.270 1.007 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1nccs1 ZINC000336576029 182274656 /nfs/dbraw/zinc/27/46/56/182274656.db2.gz OBEBLYSBVOVKBR-UHFFFAOYSA-N 1 2 223.261 1.188 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2[nH]ccc2s1 ZINC000356157350 182269790 /nfs/dbraw/zinc/26/97/90/182269790.db2.gz UIEIBFSJRPTHIH-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2[nH]ccc2s1 ZINC000356157350 182269792 /nfs/dbraw/zinc/26/97/92/182269792.db2.gz UIEIBFSJRPTHIH-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO O=C(N[C@@H]1CCCOC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366555701 182295041 /nfs/dbraw/zinc/29/50/41/182295041.db2.gz MZKRKHPMOSFPSJ-ZJUUUORDSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(N[C@@H]1CCCOC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366555701 182295042 /nfs/dbraw/zinc/29/50/42/182295042.db2.gz MZKRKHPMOSFPSJ-ZJUUUORDSA-N 1 2 249.314 1.125 20 0 BDADLO Cc1nn(C)cc1CNc1cccc(CO)[nH+]1 ZINC000432728738 206063597 /nfs/dbraw/zinc/06/35/97/206063597.db2.gz DEPHMSYZVMIINN-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1ccccn1 ZINC000194427402 206091754 /nfs/dbraw/zinc/09/17/54/206091754.db2.gz UEJSOEUDRDNCPL-UHFFFAOYSA-N 1 2 240.270 1.311 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC(F)(F)F)[C@H](C)CO1 ZINC000194306894 206088898 /nfs/dbraw/zinc/08/88/98/206088898.db2.gz UICXUWAWLWKFDZ-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC(F)(F)F)[C@H](C)CO1 ZINC000194306894 206088900 /nfs/dbraw/zinc/08/89/00/206088900.db2.gz UICXUWAWLWKFDZ-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000447873927 206094481 /nfs/dbraw/zinc/09/44/81/206094481.db2.gz ULECPKQBBKPVQO-IUCAKERBSA-N 1 2 239.319 1.396 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000447873927 206094485 /nfs/dbraw/zinc/09/44/85/206094485.db2.gz ULECPKQBBKPVQO-IUCAKERBSA-N 1 2 239.319 1.396 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000169798189 182342446 /nfs/dbraw/zinc/34/24/46/182342446.db2.gz BHQRPGXXDNFIRK-VIFPVBQESA-N 1 2 247.323 1.689 20 0 BDADLO CCOc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000459579219 206135995 /nfs/dbraw/zinc/13/59/95/206135995.db2.gz JFZJZPUSBSCJPR-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCCC1 ZINC000336456074 182385448 /nfs/dbraw/zinc/38/54/48/182385448.db2.gz VTAYZYHMATZACY-UHFFFAOYSA-N 1 2 230.271 1.962 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccccn1 ZINC000109890401 182387316 /nfs/dbraw/zinc/38/73/16/182387316.db2.gz XHCQUOVWTSHYFN-UHFFFAOYSA-N 1 2 215.212 1.435 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccncc1 ZINC000109889257 182387831 /nfs/dbraw/zinc/38/78/31/182387831.db2.gz NYIZYFZPRVDUDA-UHFFFAOYSA-N 1 2 215.212 1.435 20 0 BDADLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000522006100 259582298 /nfs/dbraw/zinc/58/22/98/259582298.db2.gz LGFUIHSBEKMMJR-SNVBAGLBSA-N 1 2 221.304 1.845 20 0 BDADLO CCCCSCCC(=O)NCc1[nH]cc[nH+]1 ZINC000122155299 168930464 /nfs/dbraw/zinc/93/04/64/168930464.db2.gz OPLMUWSBWJTTCL-UHFFFAOYSA-N 1 2 241.360 1.949 20 0 BDADLO OC1C[NH+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000071139240 183031475 /nfs/dbraw/zinc/03/14/75/183031475.db2.gz KVMWMAOUHMJEHK-UHFFFAOYSA-N 1 2 247.216 1.762 20 0 BDADLO OC1(c2ccccc2)C[NH+](Cc2ccccn2)C1 ZINC000285899177 183022767 /nfs/dbraw/zinc/02/27/67/183022767.db2.gz ZQGWZSYSQQZRQI-UHFFFAOYSA-N 1 2 240.306 1.785 20 0 BDADLO OCC1(Nc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000178372929 183039945 /nfs/dbraw/zinc/03/99/45/183039945.db2.gz ADPDEXOGCGDZDQ-UHFFFAOYSA-N 1 2 219.288 1.681 20 0 BDADLO OCC[N@H+](Cc1nc(C2CC2)no1)C1CCC1 ZINC000221174981 183072361 /nfs/dbraw/zinc/07/23/61/183072361.db2.gz PJLWELNARXWXNV-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCC[N@@H+](Cc1nc(C2CC2)no1)C1CCC1 ZINC000221174981 183072364 /nfs/dbraw/zinc/07/23/64/183072364.db2.gz PJLWELNARXWXNV-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120427647 183077130 /nfs/dbraw/zinc/07/71/30/183077130.db2.gz GLGBWMJNQJQMKT-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO OCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120427647 183077131 /nfs/dbraw/zinc/07/71/31/183077131.db2.gz GLGBWMJNQJQMKT-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO OCC[N@H+](Cc1ccon1)Cc1ccccc1 ZINC000265843300 183069216 /nfs/dbraw/zinc/06/92/16/183069216.db2.gz ODBLZIJJCQCJTL-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO OCC[N@@H+](Cc1ccon1)Cc1ccccc1 ZINC000265843300 183069220 /nfs/dbraw/zinc/06/92/20/183069220.db2.gz ODBLZIJJCQCJTL-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO OCCc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000294292134 183100843 /nfs/dbraw/zinc/10/08/43/183100843.db2.gz ZGDDUGKBOKBHIN-ZDUSSCGKSA-N 1 2 243.310 1.975 20 0 BDADLO CCCC[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)OC ZINC000300423419 169013418 /nfs/dbraw/zinc/01/34/18/169013418.db2.gz RHYHXKLPFCHVMB-MDZLAQPJSA-N 1 2 243.347 1.875 20 0 BDADLO OC[C@H](CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000280858778 183138775 /nfs/dbraw/zinc/13/87/75/183138775.db2.gz DLBILZJOMRHSKO-QWRGUYRKSA-N 1 2 222.288 1.139 20 0 BDADLO OC[C@H]([NH2+]CCF)c1c(F)cccc1F ZINC000336739315 183139534 /nfs/dbraw/zinc/13/95/34/183139534.db2.gz SKWWMWFEUBXKNJ-VIFPVBQESA-N 1 2 219.206 1.557 20 0 BDADLO CCCCc1nc(C[NH2+][C@@H](C)[C@@H](C)CO)no1 ZINC000358791394 169025818 /nfs/dbraw/zinc/02/58/18/169025818.db2.gz LEFLKJFVPGNAJT-UWVGGRQHSA-N 1 2 241.335 1.519 20 0 BDADLO CCCCc1nc(C[N@@H+]2CC[C@](C)(O)C2)no1 ZINC000332727635 169026552 /nfs/dbraw/zinc/02/65/52/169026552.db2.gz STWMNYADEXKVRM-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1nc(C[N@H+]2CC[C@](C)(O)C2)no1 ZINC000332727635 169026553 /nfs/dbraw/zinc/02/65/53/169026553.db2.gz STWMNYADEXKVRM-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC000268953860 183125736 /nfs/dbraw/zinc/12/57/36/183125736.db2.gz GCWXKJLIPATKSI-ZDUSSCGKSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC000268953860 183125738 /nfs/dbraw/zinc/12/57/38/183125738.db2.gz GCWXKJLIPATKSI-ZDUSSCGKSA-N 1 2 247.294 1.626 20 0 BDADLO CCCCc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000336709770 169030157 /nfs/dbraw/zinc/03/01/57/169030157.db2.gz PXHDVTUDJGGYEQ-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000336709770 169030159 /nfs/dbraw/zinc/03/01/59/169030159.db2.gz PXHDVTUDJGGYEQ-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn2ccccc12 ZINC000336406244 183129535 /nfs/dbraw/zinc/12/95/35/183129535.db2.gz VSGOTNLHEBDNHX-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn2ccccc12 ZINC000336406244 183129538 /nfs/dbraw/zinc/12/95/38/183129538.db2.gz VSGOTNLHEBDNHX-RYUDHWBXSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2ccncc2)C1 ZINC000287013960 183157762 /nfs/dbraw/zinc/15/77/62/183157762.db2.gz RPPKOTJYFDAMOJ-LBPRGKRZSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2ccncc2)C1 ZINC000287013960 183157764 /nfs/dbraw/zinc/15/77/64/183157764.db2.gz RPPKOTJYFDAMOJ-LBPRGKRZSA-N 1 2 224.279 1.378 20 0 BDADLO CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364262135 169046558 /nfs/dbraw/zinc/04/65/58/169046558.db2.gz ATWBXQWYMVSTET-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO OCc1cccc(NCc2ccco2)[nH+]1 ZINC000308909660 183168116 /nfs/dbraw/zinc/16/81/16/183168116.db2.gz SKZQQNCBKHIQDZ-UHFFFAOYSA-N 1 2 204.229 1.779 20 0 BDADLO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccn[nH]1 ZINC000273091285 183173674 /nfs/dbraw/zinc/17/36/74/183173674.db2.gz KYIFRSMEILGBQK-AWEZNQCLSA-N 1 2 245.326 1.493 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061708066 183199491 /nfs/dbraw/zinc/19/94/91/183199491.db2.gz GEPKBVGFOUIMTJ-SSDOTTSWSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061708066 183199494 /nfs/dbraw/zinc/19/94/94/183199494.db2.gz GEPKBVGFOUIMTJ-SSDOTTSWSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@@H]1CC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000276928369 183204102 /nfs/dbraw/zinc/20/41/02/183204102.db2.gz PNEXSKIRDDDGGG-GXSJLCMTSA-N 1 2 233.315 1.927 20 0 BDADLO O[C@@H]1C[NH+](Cc2ccc(Cl)cc2F)C[C@H]1O ZINC000236529802 183205998 /nfs/dbraw/zinc/20/59/98/183205998.db2.gz KEVDFTWSGAEDRD-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000367830159 183221898 /nfs/dbraw/zinc/22/18/98/183221898.db2.gz AMLKNKZKKXWYJT-UPJWGTAASA-N 1 2 219.284 1.193 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000367830159 183221900 /nfs/dbraw/zinc/22/19/00/183221900.db2.gz AMLKNKZKKXWYJT-UPJWGTAASA-N 1 2 219.284 1.193 20 0 BDADLO O[C@H](COCc1cccs1)Cn1cc[nH+]c1 ZINC000068045730 183226866 /nfs/dbraw/zinc/22/68/66/183226866.db2.gz SQCDVKTVQMWPSF-JTQLQIEISA-N 1 2 238.312 1.522 20 0 BDADLO O[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC12CC2 ZINC000336321471 183208815 /nfs/dbraw/zinc/20/88/15/183208815.db2.gz ZCODNMLBIUCJQZ-LLVKDONJSA-N 1 2 229.283 1.524 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1c(C)noc1C ZINC000056508751 169095099 /nfs/dbraw/zinc/09/50/99/169095099.db2.gz FETSGKBLBXYWKB-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1c(C)noc1C ZINC000056508751 169095101 /nfs/dbraw/zinc/09/51/01/169095101.db2.gz FETSGKBLBXYWKB-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cocn1 ZINC000288570662 183250475 /nfs/dbraw/zinc/25/04/75/183250475.db2.gz NASGMXMXPDPTRW-AAEUAGOBSA-N 1 2 246.266 1.259 20 0 BDADLO O[C@]1(CNc2ccc3ccccc3[nH+]2)CCOC1 ZINC000229624478 183251258 /nfs/dbraw/zinc/25/12/58/183251258.db2.gz MXTFSWWBVOYERF-AWEZNQCLSA-N 1 2 244.294 1.798 20 0 BDADLO O[C@]1(CNc2cccc[nH+]2)CCSC1 ZINC000277140463 183251665 /nfs/dbraw/zinc/25/16/65/183251665.db2.gz CCQLXXHYLSVUNZ-JTQLQIEISA-N 1 2 210.302 1.362 20 0 BDADLO O[C@H]1CCCC[C@H]1C[N@@H+]1CCn2ccnc2C1 ZINC000062323746 183232683 /nfs/dbraw/zinc/23/26/83/183232683.db2.gz QZBQDIIHAXFAIX-RYUDHWBXSA-N 1 2 235.331 1.250 20 0 BDADLO O[C@H]1CCCC[C@H]1C[N@H+]1CCn2ccnc2C1 ZINC000062323746 183232685 /nfs/dbraw/zinc/23/26/85/183232685.db2.gz QZBQDIIHAXFAIX-RYUDHWBXSA-N 1 2 235.331 1.250 20 0 BDADLO CCCN(CCC)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000357042321 169143500 /nfs/dbraw/zinc/14/35/00/169143500.db2.gz KICZIRMUBMNOES-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C)n1C1CC1 ZINC000303265955 169167521 /nfs/dbraw/zinc/16/75/21/169167521.db2.gz VHIHVILTKRMAKM-UHFFFAOYSA-N 1 2 238.335 1.126 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C)n1C1CC1 ZINC000303265955 169167522 /nfs/dbraw/zinc/16/75/22/169167522.db2.gz VHIHVILTKRMAKM-UHFFFAOYSA-N 1 2 238.335 1.126 20 0 BDADLO CCC[N@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000338252177 169167655 /nfs/dbraw/zinc/16/76/55/169167655.db2.gz HIDHGOFVTOHTHC-UHFFFAOYSA-N 1 2 240.351 1.237 20 0 BDADLO CCC[N@@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000338252177 169167658 /nfs/dbraw/zinc/16/76/58/169167658.db2.gz HIDHGOFVTOHTHC-UHFFFAOYSA-N 1 2 240.351 1.237 20 0 BDADLO CCC[N@H+](Cc1csnn1)CC(C)(C)O ZINC000336684247 169181785 /nfs/dbraw/zinc/18/17/85/169181785.db2.gz KHEPOKYMMDBYRF-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO CCC[N@@H+](Cc1csnn1)CC(C)(C)O ZINC000336684247 169181790 /nfs/dbraw/zinc/18/17/90/169181790.db2.gz KHEPOKYMMDBYRF-UHFFFAOYSA-N 1 2 229.349 1.521 20 0 BDADLO c1c[nH+]c(COCc2noc(C3CC3)n2)[nH]1 ZINC000340548335 183327423 /nfs/dbraw/zinc/32/74/23/183327423.db2.gz YGCRNZQTYPCMAK-UHFFFAOYSA-N 1 2 220.232 1.387 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2csnn2)[nH]1 ZINC000375346444 183329593 /nfs/dbraw/zinc/32/95/93/183329593.db2.gz YJCROHMBUXHHJL-SECBINFHSA-N 1 2 235.316 1.598 20 0 BDADLO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC000124393824 169197106 /nfs/dbraw/zinc/19/71/06/169197106.db2.gz NQSTZNHEYJYGCR-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nncs1 ZINC000124393824 169197108 /nfs/dbraw/zinc/19/71/08/169197108.db2.gz NQSTZNHEYJYGCR-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO c1cc(C[NH2+]CCOC2CCCCC2)[nH]n1 ZINC000082394738 183350774 /nfs/dbraw/zinc/35/07/74/183350774.db2.gz AXNLOGRETSZHLH-UHFFFAOYSA-N 1 2 223.320 1.849 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3cc[nH]c3n2)n[nH]1 ZINC000353221919 183351607 /nfs/dbraw/zinc/35/16/07/183351607.db2.gz GLXLCJSLYYKCDE-UHFFFAOYSA-N 1 2 227.271 1.576 20 0 BDADLO CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287748 169233532 /nfs/dbraw/zinc/23/35/32/169233532.db2.gz RXWDXVKTJYZRLM-UHFFFAOYSA-N 1 2 217.272 1.403 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000332672699 169222434 /nfs/dbraw/zinc/22/24/34/169222434.db2.gz FPBDSHIGKRCETK-UHFFFAOYSA-N 1 2 248.326 1.277 20 0 BDADLO CCCNC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000332672699 169222436 /nfs/dbraw/zinc/22/24/36/169222436.db2.gz FPBDSHIGKRCETK-UHFFFAOYSA-N 1 2 248.326 1.277 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000361216748 169222715 /nfs/dbraw/zinc/22/27/15/169222715.db2.gz VHFCVCDTFUXVRJ-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000361216748 169222717 /nfs/dbraw/zinc/22/27/17/169222717.db2.gz VHFCVCDTFUXVRJ-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177711680 169237271 /nfs/dbraw/zinc/23/72/71/169237271.db2.gz MSDJZWXLKLHPME-UHFFFAOYSA-N 1 2 232.287 1.544 20 0 BDADLO CCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000048850472 169237674 /nfs/dbraw/zinc/23/76/74/169237674.db2.gz YKILICCXAYIMEQ-UHFFFAOYSA-N 1 2 246.314 1.852 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1cnccc1C ZINC000361414166 169241591 /nfs/dbraw/zinc/24/15/91/169241591.db2.gz UQJDNTSFJWIAFH-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnccc1C ZINC000361414166 169241593 /nfs/dbraw/zinc/24/15/93/169241593.db2.gz UQJDNTSFJWIAFH-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO c1nc(C[NH2+][C@H]2CCOC2)nn1-c1ccccc1 ZINC000293397760 183386243 /nfs/dbraw/zinc/38/62/43/183386243.db2.gz LGWKUISRLUFVCE-NSHDSACASA-N 1 2 244.298 1.146 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)CCn1cccn1 ZINC000119712850 169298316 /nfs/dbraw/zinc/29/83/16/169298316.db2.gz URKNDCIWVDWDRT-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCn1cccn1 ZINC000119712850 169298318 /nfs/dbraw/zinc/29/83/18/169298318.db2.gz URKNDCIWVDWDRT-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132553993 169298512 /nfs/dbraw/zinc/29/85/12/169298512.db2.gz IRXDFBCBGQRYDN-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132553993 169298514 /nfs/dbraw/zinc/29/85/14/169298514.db2.gz IRXDFBCBGQRYDN-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CCCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341996754 169340148 /nfs/dbraw/zinc/34/01/48/169340148.db2.gz FBQAGWFGZVWPSY-NSHDSACASA-N 1 2 244.404 1.682 20 0 BDADLO CCCSCC(=O)NCc1c[nH+]cn1C ZINC000355256005 169337482 /nfs/dbraw/zinc/33/74/82/169337482.db2.gz QZWAQJYXCFTFDW-UHFFFAOYSA-N 1 2 227.333 1.180 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000225431840 134353385 /nfs/dbraw/zinc/35/33/85/134353385.db2.gz UGSHKYRQEVTFFJ-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000225431840 134353386 /nfs/dbraw/zinc/35/33/86/134353386.db2.gz UGSHKYRQEVTFFJ-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1nncn1C ZINC000037016702 383931228 /nfs/dbraw/zinc/93/12/28/383931228.db2.gz CVPGRXYQHKVBLN-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO COC[C@@](C)(O)CNc1[nH+]ccc(C)c1Cl ZINC000309665366 383890465 /nfs/dbraw/zinc/89/04/65/383890465.db2.gz TTZBBOUJZPLSOL-NSHDSACASA-N 1 2 244.722 1.853 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000036427318 383901277 /nfs/dbraw/zinc/90/12/77/383901277.db2.gz RIKJQXYTDSEMTK-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000036427318 383901279 /nfs/dbraw/zinc/90/12/79/383901279.db2.gz RIKJQXYTDSEMTK-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119855216 383902160 /nfs/dbraw/zinc/90/21/60/383902160.db2.gz LFGACASIMQWOHF-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119855216 383902172 /nfs/dbraw/zinc/90/21/72/383902172.db2.gz LFGACASIMQWOHF-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCOCC12CCC2 ZINC000336447537 383903441 /nfs/dbraw/zinc/90/34/41/383903441.db2.gz POGHBZAHPHMGQZ-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCOCC12CCC2 ZINC000336447537 383903448 /nfs/dbraw/zinc/90/34/48/383903448.db2.gz POGHBZAHPHMGQZ-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO COCc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000066971256 383904313 /nfs/dbraw/zinc/90/43/13/383904313.db2.gz IFWJQWYBVZZFRV-UHFFFAOYSA-N 1 2 231.299 1.846 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(C)C ZINC000227018989 383986466 /nfs/dbraw/zinc/98/64/66/383986466.db2.gz QELTYNLTAFPXSX-GMTAPVOTSA-N 1 2 229.320 1.341 20 0 BDADLO O[C@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000518488532 383945798 /nfs/dbraw/zinc/94/57/98/383945798.db2.gz BTDZJFWVSSWLPN-SNVBAGLBSA-N 1 2 234.303 1.234 20 0 BDADLO O[C@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000518488532 383945809 /nfs/dbraw/zinc/94/58/09/383945809.db2.gz BTDZJFWVSSWLPN-SNVBAGLBSA-N 1 2 234.303 1.234 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)[nH]1)C(F)F ZINC000449358111 383966913 /nfs/dbraw/zinc/96/69/13/383966913.db2.gz DVLLTGDVVPJDJU-MRVPVSSYSA-N 1 2 246.257 1.935 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nnc(C2CC2)o1 ZINC000523086896 259642768 /nfs/dbraw/zinc/64/27/68/259642768.db2.gz AEPKUWJLOULDHW-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nnc(C2CC2)o1 ZINC000523086896 259642769 /nfs/dbraw/zinc/64/27/69/259642769.db2.gz AEPKUWJLOULDHW-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CCS[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000114336015 384031781 /nfs/dbraw/zinc/03/17/81/384031781.db2.gz GXOGOCMYHIYYOL-SNVBAGLBSA-N 1 2 241.360 1.804 20 0 BDADLO CCOC[C@@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000069277599 384038447 /nfs/dbraw/zinc/03/84/47/384038447.db2.gz MEJXNPCGZYZJHS-NSHDSACASA-N 1 2 234.299 1.742 20 0 BDADLO CCC[N@H+](CCC(F)(F)F)CC(=O)OC ZINC000077111541 384055419 /nfs/dbraw/zinc/05/54/19/384055419.db2.gz AJRBOHKAPXIAMY-UHFFFAOYSA-N 1 2 227.226 1.824 20 0 BDADLO CCC[N@@H+](CCC(F)(F)F)CC(=O)OC ZINC000077111541 384055421 /nfs/dbraw/zinc/05/54/21/384055421.db2.gz AJRBOHKAPXIAMY-UHFFFAOYSA-N 1 2 227.226 1.824 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnn[nH]2)CCS1 ZINC000334360557 384057115 /nfs/dbraw/zinc/05/71/15/384057115.db2.gz ZIDAIHMKHRIPKC-SNVBAGLBSA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000334360557 384057122 /nfs/dbraw/zinc/05/71/22/384057122.db2.gz ZIDAIHMKHRIPKC-SNVBAGLBSA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2c[nH]nn2)CCS1 ZINC000334360557 384057131 /nfs/dbraw/zinc/05/71/31/384057131.db2.gz ZIDAIHMKHRIPKC-SNVBAGLBSA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000334360557 384057136 /nfs/dbraw/zinc/05/71/36/384057136.db2.gz ZIDAIHMKHRIPKC-SNVBAGLBSA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cn[nH]n2)CCS1 ZINC000334360557 384057143 /nfs/dbraw/zinc/05/71/43/384057143.db2.gz ZIDAIHMKHRIPKC-SNVBAGLBSA-N 1 2 226.349 1.378 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cn[nH]n2)CCS1 ZINC000334360557 384057147 /nfs/dbraw/zinc/05/71/47/384057147.db2.gz ZIDAIHMKHRIPKC-SNVBAGLBSA-N 1 2 226.349 1.378 20 0 BDADLO CSC[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078296214 384062378 /nfs/dbraw/zinc/06/23/78/384062378.db2.gz HYNJOWXQAKMMQS-SNVBAGLBSA-N 1 2 227.333 1.311 20 0 BDADLO CC[C@H](C[N@@H+]1CCO[C@H](C(F)(F)F)C1)OC ZINC000642687539 384070233 /nfs/dbraw/zinc/07/02/33/384070233.db2.gz UXFVGTSQGRZNJB-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@H](C[N@H+]1CCO[C@H](C(F)(F)F)C1)OC ZINC000642687539 384070242 /nfs/dbraw/zinc/07/02/42/384070242.db2.gz UXFVGTSQGRZNJB-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@]1(C(N)=O)CC[N@H+](Cc2csnn2)C1 ZINC000332636174 384092207 /nfs/dbraw/zinc/09/22/07/384092207.db2.gz JLBWNNKZJCRDLK-VIFPVBQESA-N 1 2 226.305 1.285 20 0 BDADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2csnn2)C1 ZINC000332636174 384092215 /nfs/dbraw/zinc/09/22/15/384092215.db2.gz JLBWNNKZJCRDLK-VIFPVBQESA-N 1 2 226.305 1.285 20 0 BDADLO CC[C@H]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000560328374 384073723 /nfs/dbraw/zinc/07/37/23/384073723.db2.gz ZYSZBIIKKMFHRX-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CCOc1cc(N[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000090793478 384074916 /nfs/dbraw/zinc/07/49/16/384074916.db2.gz JAVOIHNDSGDANB-SNVBAGLBSA-N 1 2 247.302 1.572 20 0 BDADLO O=C(CCC1CC1)NCCCn1cc[nH+]c1 ZINC000115315315 384076816 /nfs/dbraw/zinc/07/68/16/384076816.db2.gz ILOBUJPSPOETPB-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CC(C)Cn1cc(C[NH2+]C(CF)CF)cn1 ZINC000449380008 384096049 /nfs/dbraw/zinc/09/60/49/384096049.db2.gz LNJLTWFUAHCYSR-UHFFFAOYSA-N 1 2 231.290 1.936 20 0 BDADLO Cc1nonc1C[NH2+][C@H](CO)c1ccccc1 ZINC000070261858 384096532 /nfs/dbraw/zinc/09/65/32/384096532.db2.gz QZFMIUSUTYMZAE-GFCCVEGCSA-N 1 2 233.271 1.201 20 0 BDADLO COC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000050063435 384105041 /nfs/dbraw/zinc/10/50/41/384105041.db2.gz VURFAGWSWAKQRY-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000050063435 384105045 /nfs/dbraw/zinc/10/50/45/384105045.db2.gz VURFAGWSWAKQRY-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO Cc1nc(C[N@H+](CCCO)CC(C)(C)C)no1 ZINC000304017445 384125068 /nfs/dbraw/zinc/12/50/68/384125068.db2.gz WYGKOXHUFAICSF-UHFFFAOYSA-N 1 2 241.335 1.609 20 0 BDADLO Cc1nc(C[N@@H+](CCCO)CC(C)(C)C)no1 ZINC000304017445 384125076 /nfs/dbraw/zinc/12/50/76/384125076.db2.gz WYGKOXHUFAICSF-UHFFFAOYSA-N 1 2 241.335 1.609 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCOC[C@@H]3C)n2c1 ZINC000091810718 384148953 /nfs/dbraw/zinc/14/89/53/384148953.db2.gz CGWFSAUSARKGNQ-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000091863884 384150043 /nfs/dbraw/zinc/15/00/43/384150043.db2.gz UKRNWPJHPMOWTP-SNVBAGLBSA-N 1 2 249.314 1.051 20 0 BDADLO CCc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)o1 ZINC000091863884 384150049 /nfs/dbraw/zinc/15/00/49/384150049.db2.gz UKRNWPJHPMOWTP-SNVBAGLBSA-N 1 2 249.314 1.051 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@](C)(O)C2)s1 ZINC000680059483 487528530 /nfs/dbraw/zinc/52/85/30/487528530.db2.gz LVWKINGDCBSYFA-JTQLQIEISA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@](C)(O)C2)s1 ZINC000680059483 487528532 /nfs/dbraw/zinc/52/85/32/487528532.db2.gz LVWKINGDCBSYFA-JTQLQIEISA-N 1 2 227.333 1.057 20 0 BDADLO Cc1ccncc1NCc1[nH+]ccn1C ZINC000070958467 384144033 /nfs/dbraw/zinc/14/40/33/384144033.db2.gz ZEFLJTNBYKMUPK-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cc1nc(N)c(CNC(=O)CCC(C)C)c[nH+]1 ZINC000560499408 384174620 /nfs/dbraw/zinc/17/46/20/384174620.db2.gz OTZCFLGTUGLTLQ-UHFFFAOYSA-N 1 2 236.319 1.250 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000628117747 384174790 /nfs/dbraw/zinc/17/47/90/384174790.db2.gz TYSJMIYNTLGJBK-AOOOYVTPSA-N 1 2 209.293 1.327 20 0 BDADLO COC[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000071271676 384159315 /nfs/dbraw/zinc/15/93/15/384159315.db2.gz VIYSSRHXNQWELM-NSHDSACASA-N 1 2 232.283 1.654 20 0 BDADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000367849900 384175994 /nfs/dbraw/zinc/17/59/94/384175994.db2.gz ZUOAQFAAEBWXKO-UONOGXRCSA-N 1 2 246.310 1.618 20 0 BDADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000367849900 384176001 /nfs/dbraw/zinc/17/60/01/384176001.db2.gz ZUOAQFAAEBWXKO-UONOGXRCSA-N 1 2 246.310 1.618 20 0 BDADLO CC[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)[C@H](C)O ZINC000642913874 384179609 /nfs/dbraw/zinc/17/96/09/384179609.db2.gz BAPKLWMAWPQJTG-ONGXEEELSA-N 1 2 247.298 1.680 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2nc(C)no2)cn1 ZINC000356521000 384179792 /nfs/dbraw/zinc/17/97/92/384179792.db2.gz SOHGMWIZJQDTJE-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO CC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000117873983 384183846 /nfs/dbraw/zinc/18/38/46/384183846.db2.gz KLTRHJBTTNBYEH-NSHDSACASA-N 1 2 207.273 1.852 20 0 BDADLO CC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000117873983 384183851 /nfs/dbraw/zinc/18/38/51/384183851.db2.gz KLTRHJBTTNBYEH-NSHDSACASA-N 1 2 207.273 1.852 20 0 BDADLO FC(F)(F)Cn1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000092845640 384195864 /nfs/dbraw/zinc/19/58/64/384195864.db2.gz UTVLSJKQKBRQBN-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO C[C@H]([NH2+]Cc1cncn1C)c1nccs1 ZINC000082474059 384230351 /nfs/dbraw/zinc/23/03/51/384230351.db2.gz ZXUWBQACHYAPSK-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO c1nnc([C@@H]([NH2+]C2CC2)c2ccccc2)[nH]1 ZINC000289270579 384231990 /nfs/dbraw/zinc/23/19/90/384231990.db2.gz PCWXLTNHBOSTRF-NSHDSACASA-N 1 2 214.272 1.646 20 0 BDADLO Cc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)C2)o1 ZINC000042544283 384232188 /nfs/dbraw/zinc/23/21/88/384232188.db2.gz JUHPLJXIWKHCPT-GHMZBOCLSA-N 1 2 208.305 1.943 20 0 BDADLO Cc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)C2)o1 ZINC000042544283 384232192 /nfs/dbraw/zinc/23/21/92/384232192.db2.gz JUHPLJXIWKHCPT-GHMZBOCLSA-N 1 2 208.305 1.943 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccc(CO)o2)[C@H]1C ZINC000093418286 384236277 /nfs/dbraw/zinc/23/62/77/384236277.db2.gz JFTJDMUQIXUCAN-UWVGGRQHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccc(CO)o2)[C@H]1C ZINC000093418286 384236285 /nfs/dbraw/zinc/23/62/85/384236285.db2.gz JFTJDMUQIXUCAN-UWVGGRQHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(CO)o1 ZINC000093418285 384236679 /nfs/dbraw/zinc/23/66/79/384236679.db2.gz JFTJDMUQIXUCAN-ZJUUUORDSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(CO)o1 ZINC000093418285 384236687 /nfs/dbraw/zinc/23/66/87/384236687.db2.gz JFTJDMUQIXUCAN-ZJUUUORDSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295044486 384240205 /nfs/dbraw/zinc/24/02/05/384240205.db2.gz OCJCUAZSHFHCOC-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295044486 384240211 /nfs/dbraw/zinc/24/02/11/384240211.db2.gz OCJCUAZSHFHCOC-VIFPVBQESA-N 1 2 232.736 1.753 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185993435 134399611 /nfs/dbraw/zinc/39/96/11/134399611.db2.gz UZMFPSHVCFMROJ-ZWNOBZJWSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@H](O)C[C@H]1CCCN1c1cccc[nH+]1 ZINC000133363097 384243772 /nfs/dbraw/zinc/24/37/72/384243772.db2.gz TYQUEOHYSCIWSJ-GHMZBOCLSA-N 1 2 206.289 1.821 20 0 BDADLO CCOCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119273565 384252904 /nfs/dbraw/zinc/25/29/04/384252904.db2.gz QNJJZNGLMRISHF-UHFFFAOYSA-N 1 2 223.276 1.548 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)o1 ZINC000093642574 384255254 /nfs/dbraw/zinc/25/52/54/384255254.db2.gz VZPDEPGICKVHRN-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)o1 ZINC000093642574 384255258 /nfs/dbraw/zinc/25/52/58/384255258.db2.gz VZPDEPGICKVHRN-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000119471352 384277827 /nfs/dbraw/zinc/27/78/27/384277827.db2.gz MEWHWTQUZSKXAB-UHFFFAOYSA-N 1 2 218.300 1.269 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000119471352 384277832 /nfs/dbraw/zinc/27/78/32/384277832.db2.gz MEWHWTQUZSKXAB-UHFFFAOYSA-N 1 2 218.300 1.269 20 0 BDADLO COC(=O)C[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000132927448 384264076 /nfs/dbraw/zinc/26/40/76/384264076.db2.gz FBBLLRBQPCADCY-QMMMGPOBSA-N 1 2 236.271 1.528 20 0 BDADLO COC(=O)C[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000132927622 384264830 /nfs/dbraw/zinc/26/48/30/384264830.db2.gz FBBLLRBQPCADCY-MRVPVSSYSA-N 1 2 236.271 1.528 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)s1 ZINC000235211433 384265230 /nfs/dbraw/zinc/26/52/30/384265230.db2.gz NSZGVABCZMCSEH-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO CCN1CC[N@H+](CCc2ccncc2C)CC1=O ZINC000569571955 384268948 /nfs/dbraw/zinc/26/89/48/384268948.db2.gz QLLFSKDXLDUBAC-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO CCN1CC[N@@H+](CCc2ccncc2C)CC1=O ZINC000569571955 384268949 /nfs/dbraw/zinc/26/89/49/384268949.db2.gz QLLFSKDXLDUBAC-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO CCN1C[C@@H](Nc2cccc[nH+]2)CC1=O ZINC000335434338 384274547 /nfs/dbraw/zinc/27/45/47/384274547.db2.gz IQHXJHZHKXUPFB-VIFPVBQESA-N 1 2 205.261 1.114 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1cc[nH]n1 ZINC000119812337 384305478 /nfs/dbraw/zinc/30/54/78/384305478.db2.gz PBFZPVBUGFDWIQ-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1cc[nH]n1 ZINC000119812337 384305480 /nfs/dbraw/zinc/30/54/80/384305480.db2.gz PBFZPVBUGFDWIQ-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO CC[C@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000569618589 384308945 /nfs/dbraw/zinc/30/89/45/384308945.db2.gz JCWBFSRDGJPDHN-NSHDSACASA-N 1 2 234.299 1.212 20 0 BDADLO CC[C@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000569618589 384308947 /nfs/dbraw/zinc/30/89/47/384308947.db2.gz JCWBFSRDGJPDHN-NSHDSACASA-N 1 2 234.299 1.212 20 0 BDADLO C[C@H](O)CCN(C)c1[nH+]c2ccccc2n1C ZINC000133937836 384318994 /nfs/dbraw/zinc/31/89/94/384318994.db2.gz WSOQSSSVGIJALR-JTQLQIEISA-N 1 2 233.315 1.780 20 0 BDADLO Cc1ccc(O)c(C[NH2+]CC(F)F)n1 ZINC000147258173 384284754 /nfs/dbraw/zinc/28/47/54/384284754.db2.gz VGVVVCVPRKLLBE-UHFFFAOYSA-N 1 2 202.204 1.450 20 0 BDADLO COC(=O)C1([N@H+](C)Cc2cccnc2)CCCC1 ZINC000133482263 384294087 /nfs/dbraw/zinc/29/40/87/384294087.db2.gz VUDGLMNNXPDWBX-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)C1([N@@H+](C)Cc2cccnc2)CCCC1 ZINC000133482263 384294090 /nfs/dbraw/zinc/29/40/90/384294090.db2.gz VUDGLMNNXPDWBX-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO Cc1nc(N2CC[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000304504819 384335372 /nfs/dbraw/zinc/33/53/72/384335372.db2.gz QRKWPNXIQUXQQW-VIFPVBQESA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C(C)C)C2)[nH+]1 ZINC000304504819 384335379 /nfs/dbraw/zinc/33/53/79/384335379.db2.gz QRKWPNXIQUXQQW-VIFPVBQESA-N 1 2 221.308 1.245 20 0 BDADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cccc(F)c1 ZINC000134200612 384339485 /nfs/dbraw/zinc/33/94/85/384339485.db2.gz XIHCJXBEFDHQRO-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CC[C@@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000642704013 384349199 /nfs/dbraw/zinc/34/91/99/384349199.db2.gz LXXUYXSRJZEXLB-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@@H](C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000642704013 384349204 /nfs/dbraw/zinc/34/92/04/384349204.db2.gz LXXUYXSRJZEXLB-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)OC ZINC000300383774 384363224 /nfs/dbraw/zinc/36/32/24/384363224.db2.gz IEQZYTGBTRURBG-KXUCPTDWSA-N 1 2 231.361 1.812 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCOC(C)(C)C1 ZINC000084093662 384364655 /nfs/dbraw/zinc/36/46/55/384364655.db2.gz SUKKHBYRZBSBKH-JTQLQIEISA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCOC(C)(C)C1 ZINC000084093662 384364662 /nfs/dbraw/zinc/36/46/62/384364662.db2.gz SUKKHBYRZBSBKH-JTQLQIEISA-N 1 2 227.304 1.049 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)no1 ZINC000159195438 384365243 /nfs/dbraw/zinc/36/52/43/384365243.db2.gz LPCDHRMTKKLDJH-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)no1 ZINC000159195438 384365249 /nfs/dbraw/zinc/36/52/49/384365249.db2.gz LPCDHRMTKKLDJH-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@]23CCOC3)c(C)c[nH+]1 ZINC000368145916 384324264 /nfs/dbraw/zinc/32/42/64/384324264.db2.gz AENNWXFDVLLWSI-SMDDNHRTSA-N 1 2 246.310 1.485 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@]23CCOC3)c(C)c[nH+]1 ZINC000368145915 384324300 /nfs/dbraw/zinc/32/43/00/384324300.db2.gz AENNWXFDVLLWSI-RISCZKNCSA-N 1 2 246.310 1.485 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000168826192 384325472 /nfs/dbraw/zinc/32/54/72/384325472.db2.gz NEFSEEKCAIZQPU-SECBINFHSA-N 1 2 208.261 1.672 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)c1cccs1 ZINC000120043633 384327029 /nfs/dbraw/zinc/32/70/29/384327029.db2.gz KRDPDMMPTPJBIA-AWEZNQCLSA-N 1 2 226.326 1.789 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000332673317 384329603 /nfs/dbraw/zinc/32/96/03/384329603.db2.gz IOSZCMQMXKUYCT-BDAKNGLRSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H](O)C[C@H]2C)no1 ZINC000332673317 384329605 /nfs/dbraw/zinc/32/96/05/384329605.db2.gz IOSZCMQMXKUYCT-BDAKNGLRSA-N 1 2 225.292 1.148 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)on1 ZINC000134071940 384330796 /nfs/dbraw/zinc/33/07/96/384330796.db2.gz PQFWECABUPFSBF-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO Cc1cc(C[N@H+]2CCCC3(C2)OCCO3)on1 ZINC000134071940 384330799 /nfs/dbraw/zinc/33/07/99/384330799.db2.gz PQFWECABUPFSBF-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](O)CSC)C(=O)OC ZINC000187890636 384334797 /nfs/dbraw/zinc/33/47/97/384334797.db2.gz JCGUWQVTGLDWHI-GXSJLCMTSA-N 1 2 249.376 1.032 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCOC[C@H]1C ZINC000121596893 384426704 /nfs/dbraw/zinc/42/67/04/384426704.db2.gz DDKHYLYWEPRRJY-SNVBAGLBSA-N 1 2 235.287 1.643 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cccc(O)c1F ZINC000556554153 384425549 /nfs/dbraw/zinc/42/55/49/384425549.db2.gz BDSOALCPIDUNLS-UHFFFAOYSA-N 1 2 249.245 1.757 20 0 BDADLO CC[NH+](CC)Cc1nc([C@@H](C)OC)no1 ZINC000175066745 384390617 /nfs/dbraw/zinc/39/06/17/384390617.db2.gz MXBCUSKPNFEEPS-MRVPVSSYSA-N 1 2 213.281 1.619 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)s1 ZINC000235515692 384425750 /nfs/dbraw/zinc/42/57/50/384425750.db2.gz NSZGVABCZMCSEH-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000530516751 384391096 /nfs/dbraw/zinc/39/10/96/384391096.db2.gz NCZXATSGVMRJGB-GFCCVEGCSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000530516751 384391102 /nfs/dbraw/zinc/39/11/02/384391102.db2.gz NCZXATSGVMRJGB-GFCCVEGCSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC[C@@H]1C[C@H]1C1CC1 ZINC000556569475 384428504 /nfs/dbraw/zinc/42/85/04/384428504.db2.gz FVIXJCCETSRYQS-RYUDHWBXSA-N 1 2 248.330 1.228 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2ccco2)c1 ZINC000135324184 384433412 /nfs/dbraw/zinc/43/34/12/384433412.db2.gz LEFBKBZNIFOATA-UHFFFAOYSA-N 1 2 235.239 1.949 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCSCC1 ZINC000121780223 384438747 /nfs/dbraw/zinc/43/87/47/384438747.db2.gz JIAWSJVQVOFKHN-UHFFFAOYSA-N 1 2 237.328 1.971 20 0 BDADLO COCCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000122173898 384463502 /nfs/dbraw/zinc/46/35/02/384463502.db2.gz BWDGVMQLXYABAO-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000371739633 384468708 /nfs/dbraw/zinc/46/87/08/384468708.db2.gz OHJDZCYXLOPVCD-UHFFFAOYSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000371739633 384468714 /nfs/dbraw/zinc/46/87/14/384468714.db2.gz OHJDZCYXLOPVCD-UHFFFAOYSA-N 1 2 243.347 1.831 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)no1 ZINC000408433672 384474208 /nfs/dbraw/zinc/47/42/08/384474208.db2.gz NHLHLWFIGDAKCE-IQJOONFLSA-N 1 2 239.319 1.359 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)no1 ZINC000408433672 384474214 /nfs/dbraw/zinc/47/42/14/384474214.db2.gz NHLHLWFIGDAKCE-IQJOONFLSA-N 1 2 239.319 1.359 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCC(=O)NC1CC1 ZINC000079044465 384482821 /nfs/dbraw/zinc/48/28/21/384482821.db2.gz VVHFDSADGHOYCY-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO CCc1cc(N[C@@H]2CO[C@H](C)C2)nc[nH+]1 ZINC000402125828 384497957 /nfs/dbraw/zinc/49/79/57/384497957.db2.gz FZQAXUJXKFHJIL-SCZZXKLOSA-N 1 2 207.277 1.628 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc[nH]1 ZINC000161656312 384515140 /nfs/dbraw/zinc/51/51/40/384515140.db2.gz SMCMQKNNTRTGSG-UHFFFAOYSA-N 1 2 232.287 1.374 20 0 BDADLO CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000150871266 384518372 /nfs/dbraw/zinc/51/83/72/384518372.db2.gz KZVREOONCMYPTN-UHFFFAOYSA-N 1 2 230.271 1.838 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000183961895 384542750 /nfs/dbraw/zinc/54/27/50/384542750.db2.gz QHLIGVIQHCFFMQ-WDEREUQCSA-N 1 2 249.314 1.625 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000080336272 384547163 /nfs/dbraw/zinc/54/71/63/384547163.db2.gz FZMWBWAXELTYKA-VIFPVBQESA-N 1 2 232.283 1.819 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000151236472 384551123 /nfs/dbraw/zinc/55/11/23/384551123.db2.gz AZNNVGSOUAKGJR-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000151236343 384551742 /nfs/dbraw/zinc/55/17/42/384551742.db2.gz AZNNVGSOUAKGJR-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCCC[C@@H]1CO ZINC000049752067 384562290 /nfs/dbraw/zinc/56/22/90/384562290.db2.gz WBQVTNWRRYFGTP-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCCC[C@@H]1CO ZINC000049752067 384562296 /nfs/dbraw/zinc/56/22/96/384562296.db2.gz WBQVTNWRRYFGTP-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccnn1C)c1ccc(C)o1 ZINC000080238810 384540176 /nfs/dbraw/zinc/54/01/76/384540176.db2.gz PFBAFUPALHXYFQ-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000184149268 384573793 /nfs/dbraw/zinc/57/37/93/384573793.db2.gz BAXLKNNFLSRTNP-UHFFFAOYSA-N 1 2 240.278 1.227 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000184149268 384573801 /nfs/dbraw/zinc/57/38/01/384573801.db2.gz BAXLKNNFLSRTNP-UHFFFAOYSA-N 1 2 240.278 1.227 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc(CO)c1 ZINC000049856684 384574213 /nfs/dbraw/zinc/57/42/13/384574213.db2.gz CHDNUEPJKZYFLH-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO CN(CCn1cc[nH+]c1)Cc1nccs1 ZINC000162130443 384574617 /nfs/dbraw/zinc/57/46/17/384574617.db2.gz MIOIECUNWSVLAY-UHFFFAOYSA-N 1 2 222.317 1.472 20 0 BDADLO C[C@H]1CSCCN1c1[nH+]cnc2c1cnn2C ZINC000172373934 384576586 /nfs/dbraw/zinc/57/65/86/384576586.db2.gz OHHYEAQBNXKCHB-QMMMGPOBSA-N 1 2 249.343 1.305 20 0 BDADLO FC(F)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000171669289 384628368 /nfs/dbraw/zinc/62/83/68/384628368.db2.gz XCALGHSUXJZEMG-MRVPVSSYSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000171669289 384628373 /nfs/dbraw/zinc/62/83/73/384628373.db2.gz XCALGHSUXJZEMG-MRVPVSSYSA-N 1 2 205.248 1.752 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)C[C@@H]1CCCO1 ZINC000517962708 384596724 /nfs/dbraw/zinc/59/67/24/384596724.db2.gz YYEIACALTYOCMO-JQWIXIFHSA-N 1 2 235.331 1.885 20 0 BDADLO CCCc1nc(C)c(C[NH+]2CCOCC2)o1 ZINC000428474624 384676630 /nfs/dbraw/zinc/67/66/30/384676630.db2.gz STHMCDPWQDVLCG-UHFFFAOYSA-N 1 2 224.304 1.768 20 0 BDADLO C[C@@H](O)[C@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000162691037 384666420 /nfs/dbraw/zinc/66/64/20/384666420.db2.gz RRDAOMWLZOGXQX-MNOVXSKESA-N 1 2 245.326 1.780 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@](C)(O)C2)o1 ZINC000124394955 384637306 /nfs/dbraw/zinc/63/73/06/384637306.db2.gz SIFDTZGQYFVNOW-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@](C)(O)C2)o1 ZINC000124394955 384637311 /nfs/dbraw/zinc/63/73/11/384637311.db2.gz SIFDTZGQYFVNOW-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000043627867 384648974 /nfs/dbraw/zinc/64/89/74/384648974.db2.gz OFMSMWIPZPUCPD-BDAKNGLRSA-N 1 2 227.329 1.830 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000184787855 384650238 /nfs/dbraw/zinc/65/02/38/384650238.db2.gz PZZQACPTWVALED-NWDGAFQWSA-N 1 2 235.331 1.682 20 0 BDADLO CN(C)c1ccc(NCc2ncc[nH]2)[nH+]c1 ZINC000124572536 384653295 /nfs/dbraw/zinc/65/32/95/384653295.db2.gz VOWZSJNLEFYJHT-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccncc2)no1 ZINC000044293775 384655139 /nfs/dbraw/zinc/65/51/39/384655139.db2.gz GTDDETSVOZSEFW-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO C[C@@H](O)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000162649352 384661582 /nfs/dbraw/zinc/66/15/82/384661582.db2.gz PGMHUQUAIFTTJW-NXEZZACHSA-N 1 2 231.299 1.770 20 0 BDADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CCF ZINC000335913820 384676971 /nfs/dbraw/zinc/67/69/71/384676971.db2.gz UJIVEVFDDPLOKZ-UHFFFAOYSA-N 1 2 211.215 1.516 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cnn(CCO)c1 ZINC000643758330 384726143 /nfs/dbraw/zinc/72/61/43/384726143.db2.gz QIDYXEMEIAOXLR-UHFFFAOYSA-N 1 2 249.318 1.265 20 0 BDADLO CC(C)c1nc(N2CCC(C(N)=O)CC2)cc[nH+]1 ZINC000106462005 384690258 /nfs/dbraw/zinc/69/02/58/384690258.db2.gz BNYQTEDGYNSMLR-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO Cc1cc(NC(=O)c2ccc(=O)[nH]n2)cc[nH+]1 ZINC000072709898 384703073 /nfs/dbraw/zinc/70/30/73/384703073.db2.gz XZDYSSMLEZEHHM-UHFFFAOYSA-N 1 2 230.227 1.138 20 0 BDADLO CON(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000185352675 384708920 /nfs/dbraw/zinc/70/89/20/384708920.db2.gz RUXHVJHOXHJYIS-UHFFFAOYSA-N 1 2 248.286 1.080 20 0 BDADLO CC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125337350 384710720 /nfs/dbraw/zinc/71/07/20/384710720.db2.gz SPSOZXRKLAMNPS-ZDUSSCGKSA-N 1 2 246.310 1.139 20 0 BDADLO CC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125337350 384710728 /nfs/dbraw/zinc/71/07/28/384710728.db2.gz SPSOZXRKLAMNPS-ZDUSSCGKSA-N 1 2 246.310 1.139 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)n1 ZINC000185426892 384718391 /nfs/dbraw/zinc/71/83/91/384718391.db2.gz WYLAHMLXZLNWRL-VFZGTOFNSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1csc(C[N@H+](C)[C@@H](C)C[S@](C)=O)n1 ZINC000185426892 384718397 /nfs/dbraw/zinc/71/83/97/384718397.db2.gz WYLAHMLXZLNWRL-VFZGTOFNSA-N 1 2 246.401 1.650 20 0 BDADLO COC(C)(C)[C@H](C)[NH2+]CC(F)(F)CO ZINC000300988719 384776257 /nfs/dbraw/zinc/77/62/57/384776257.db2.gz LKIBVUHNBGFVBK-ZETCQYMHSA-N 1 2 211.252 1.017 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000331291120 384730987 /nfs/dbraw/zinc/73/09/87/384730987.db2.gz WHZQMLFAHRKAMV-DTWKUNHWSA-N 1 2 225.292 1.402 20 0 BDADLO CCC[C@](C)(O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000125827933 384750413 /nfs/dbraw/zinc/75/04/13/384750413.db2.gz YIAMWBHCTHTLPD-LBPRGKRZSA-N 1 2 222.288 1.880 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1C[C@@H]1C ZINC000449625965 384751088 /nfs/dbraw/zinc/75/10/88/384751088.db2.gz CQBCMCIKIBFDBK-CIUDSAMLSA-N 1 2 207.264 1.590 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1C[C@@H]1C ZINC000449625965 384751098 /nfs/dbraw/zinc/75/10/98/384751098.db2.gz CQBCMCIKIBFDBK-CIUDSAMLSA-N 1 2 207.264 1.590 20 0 BDADLO Cn1c[nH+]cc1CNc1cncc(F)c1 ZINC000300978465 384758145 /nfs/dbraw/zinc/75/81/45/384758145.db2.gz YDHZEJWKMZCLQQ-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1ccoc1 ZINC000087290226 384758818 /nfs/dbraw/zinc/75/88/18/384758818.db2.gz VILLFEYZKLMUIO-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO CC[C@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000557047585 384772675 /nfs/dbraw/zinc/77/26/75/384772675.db2.gz NUIADZJRUBDXHS-SFYZADRCSA-N 1 2 211.265 1.012 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)no1 ZINC000163497971 384816948 /nfs/dbraw/zinc/81/69/48/384816948.db2.gz AWOVGLCITQFSSX-ZJUUUORDSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)no1 ZINC000163497971 384816949 /nfs/dbraw/zinc/81/69/49/384816949.db2.gz AWOVGLCITQFSSX-ZJUUUORDSA-N 1 2 225.292 1.113 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CC1 ZINC000449654160 384825093 /nfs/dbraw/zinc/82/50/93/384825093.db2.gz UYHCXXZYADRYMF-WCBMZHEXSA-N 1 2 246.301 1.394 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000303982073 384832987 /nfs/dbraw/zinc/83/29/87/384832987.db2.gz GBPITDCTIRENBU-RKDXNWHRSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](O)C2)o1 ZINC000303982073 384832991 /nfs/dbraw/zinc/83/29/91/384832991.db2.gz GBPITDCTIRENBU-RKDXNWHRSA-N 1 2 225.292 1.150 20 0 BDADLO CCCc1nsc(NCc2[nH+]ccn2C)n1 ZINC000083668843 384788739 /nfs/dbraw/zinc/78/87/39/384788739.db2.gz YGLKEIVXRLORKR-UHFFFAOYSA-N 1 2 237.332 1.836 20 0 BDADLO CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)OCC ZINC000398075085 384797866 /nfs/dbraw/zinc/79/78/66/384797866.db2.gz KPJNKCIMCHYRGQ-UTUOFQBUSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1nsc(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000364029876 384869856 /nfs/dbraw/zinc/86/98/56/384869856.db2.gz BWSXHROUPAZVHP-MRVPVSSYSA-N 1 2 235.316 1.911 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636454246 384884768 /nfs/dbraw/zinc/88/47/68/384884768.db2.gz ZDRSXKIMVNMYKL-VHSXEESVSA-N 1 2 236.319 1.296 20 0 BDADLO CCCCc1nc(C[N@H+](CCO)C(C)C)no1 ZINC000177034146 384849601 /nfs/dbraw/zinc/84/96/01/384849601.db2.gz WBOJEMQABLFXJU-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](CCO)C(C)C)no1 ZINC000177034146 384849612 /nfs/dbraw/zinc/84/96/12/384849612.db2.gz WBOJEMQABLFXJU-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO Cc1csc(C[NH2+]Cc2cc(C)nn2C)n1 ZINC000084244120 384851966 /nfs/dbraw/zinc/85/19/66/384851966.db2.gz CSYKIXIFIWJBSC-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000449663760 384852166 /nfs/dbraw/zinc/85/21/66/384852166.db2.gz PADCBGWROFQUSO-OUAUKWLOSA-N 1 2 229.320 1.484 20 0 BDADLO CC(C)COCC[NH2+][C@H](C)c1csnn1 ZINC000398228288 384857778 /nfs/dbraw/zinc/85/77/78/384857778.db2.gz HUFVFKJWBJPTFX-SECBINFHSA-N 1 2 229.349 1.861 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccncc1 ZINC000186639445 384861329 /nfs/dbraw/zinc/86/13/29/384861329.db2.gz CRXYEOFXEGQAOK-ZDUSSCGKSA-N 1 2 232.283 1.363 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccncc1 ZINC000186639445 384861338 /nfs/dbraw/zinc/86/13/38/384861338.db2.gz CRXYEOFXEGQAOK-ZDUSSCGKSA-N 1 2 232.283 1.363 20 0 BDADLO CCOC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000175050150 384863255 /nfs/dbraw/zinc/86/32/55/384863255.db2.gz RSZOHTZRWRBQDX-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO COC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175114500 384867790 /nfs/dbraw/zinc/86/77/90/384867790.db2.gz JPNCTUAEFGDYRH-GFCCVEGCSA-N 1 2 236.315 1.725 20 0 BDADLO COC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175114500 384867793 /nfs/dbraw/zinc/86/77/93/384867793.db2.gz JPNCTUAEFGDYRH-GFCCVEGCSA-N 1 2 236.315 1.725 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cncn1C ZINC000177075443 384868814 /nfs/dbraw/zinc/86/88/14/384868814.db2.gz PMQILEKTZAHARI-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cncn1C ZINC000177075443 384868822 /nfs/dbraw/zinc/86/88/22/384868822.db2.gz PMQILEKTZAHARI-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC000177075443 384868828 /nfs/dbraw/zinc/86/88/28/384868828.db2.gz PMQILEKTZAHARI-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000557449851 384951162 /nfs/dbraw/zinc/95/11/62/384951162.db2.gz GLNIYNKPPHRVJV-JTQLQIEISA-N 1 2 221.304 1.362 20 0 BDADLO C(=C/c1ccccc1)\C[N@@H+]1CCn2cnnc2C1 ZINC000105918780 384890448 /nfs/dbraw/zinc/89/04/48/384890448.db2.gz HGDVEYRFKNRCAN-QPJJXVBHSA-N 1 2 240.310 1.807 20 0 BDADLO C(=C/c1ccccc1)\C[N@H+]1CCn2cnnc2C1 ZINC000105918780 384890457 /nfs/dbraw/zinc/89/04/57/384890457.db2.gz HGDVEYRFKNRCAN-QPJJXVBHSA-N 1 2 240.310 1.807 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1C ZINC000127380841 384890882 /nfs/dbraw/zinc/89/08/82/384890882.db2.gz JYASTVWEYWGIEQ-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1C ZINC000127380841 384890889 /nfs/dbraw/zinc/89/08/89/384890889.db2.gz JYASTVWEYWGIEQ-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO Cc1nc(C[NH+]2CCC(n3cccn3)CC2)no1 ZINC000109008263 384919203 /nfs/dbraw/zinc/91/92/03/384919203.db2.gz FNLMIGDTMQWZCH-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000051821514 384919672 /nfs/dbraw/zinc/91/96/72/384919672.db2.gz ICWMZOLSGAGIOW-ZETCQYMHSA-N 1 2 219.235 1.091 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000051821514 384919679 /nfs/dbraw/zinc/91/96/79/384919679.db2.gz ICWMZOLSGAGIOW-ZETCQYMHSA-N 1 2 219.235 1.091 20 0 BDADLO C[N@H+](Cc1nc(-c2ccco2)no1)[C@@H]1CCOC1 ZINC000106882441 384937517 /nfs/dbraw/zinc/93/75/17/384937517.db2.gz JAUHRAXUPDYQCO-SECBINFHSA-N 1 2 249.270 1.550 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@@H]1CCOC1 ZINC000106882441 384937522 /nfs/dbraw/zinc/93/75/22/384937522.db2.gz JAUHRAXUPDYQCO-SECBINFHSA-N 1 2 249.270 1.550 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccoc1 ZINC000087289818 384941345 /nfs/dbraw/zinc/94/13/45/384941345.db2.gz KTYMQCMIPUUTRN-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@@H]1C[C@@H](Nc2ccc(N(C)CCO)c[nH+]2)[C@H]1C ZINC000644541433 384947698 /nfs/dbraw/zinc/94/76/98/384947698.db2.gz FWUSYUMOWYVFGZ-NTZNESFSSA-N 1 2 249.358 1.967 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000164343761 384967048 /nfs/dbraw/zinc/96/70/48/384967048.db2.gz UGBQSGFMJVYVFH-NSHDSACASA-N 1 2 237.328 1.469 20 0 BDADLO Cc1[nH]c(CNc2ccc3[nH]nnc3c2)[nH+]c1C ZINC000565785638 385021500 /nfs/dbraw/zinc/02/15/00/385021500.db2.gz AWINIVXLMXQBEI-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO Cc1[nH]c(CNc2ccc3nn[nH]c3c2)[nH+]c1C ZINC000565785638 385021507 /nfs/dbraw/zinc/02/15/07/385021507.db2.gz AWINIVXLMXQBEI-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccns2)[nH]1 ZINC000404419444 384982340 /nfs/dbraw/zinc/98/23/40/384982340.db2.gz BNPHCDVGUDPQIR-UHFFFAOYSA-N 1 2 223.305 1.113 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc(C)s2)sn1 ZINC000404449920 384998565 /nfs/dbraw/zinc/99/85/65/384998565.db2.gz LXCNCEXDGBVETJ-UHFFFAOYSA-N 1 2 240.357 1.901 20 0 BDADLO Cc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000360247485 385005033 /nfs/dbraw/zinc/00/50/33/385005033.db2.gz BXETZVGNVFAJSM-YPMHNXCESA-N 1 2 249.314 1.169 20 0 BDADLO C[C@H](CC[S@](C)=O)Nc1cccc[nH+]1 ZINC000130130388 385022922 /nfs/dbraw/zinc/02/29/22/385022922.db2.gz VJABKLOYSNMUNI-YMTOWFKASA-N 1 2 212.318 1.651 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H](O)C1 ZINC000286969053 385084048 /nfs/dbraw/zinc/08/40/48/385084048.db2.gz BDMNDWAMYJDZJQ-LLVKDONJSA-N 1 2 249.314 1.687 20 0 BDADLO CN(C)c1ccc(CNC(=O)/C=C\C2CC2)c[nH+]1 ZINC000491932204 385061256 /nfs/dbraw/zinc/06/12/56/385061256.db2.gz QFFQHJCMROQHHU-VURMDHGXSA-N 1 2 245.326 1.730 20 0 BDADLO CCC1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000177604571 385064010 /nfs/dbraw/zinc/06/40/10/385064010.db2.gz DRTAYJXXUCRJMH-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000165080877 385067361 /nfs/dbraw/zinc/06/73/61/385067361.db2.gz FTBPPVZDSSVYJJ-ZYHUDNBSSA-N 1 2 223.320 1.703 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000569352211 385023882 /nfs/dbraw/zinc/02/38/82/385023882.db2.gz VYEATAOTGHYSHX-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000569352211 385023886 /nfs/dbraw/zinc/02/38/86/385023886.db2.gz VYEATAOTGHYSHX-QMMMGPOBSA-N 1 2 226.345 1.981 20 0 BDADLO C=C/C(C)=C\CC(=O)N1CCn2c[nH+]cc2C1 ZINC000644619285 385027518 /nfs/dbraw/zinc/02/75/18/385027518.db2.gz UVAALPPWJHDNLP-WCIBSUBMSA-N 1 2 231.299 1.748 20 0 BDADLO COc1ccc2c(c1)[nH+]ccc2OCC(N)=O ZINC000156992060 385037303 /nfs/dbraw/zinc/03/73/03/385037303.db2.gz VEOXJUZFMUROAT-UHFFFAOYSA-N 1 2 232.239 1.108 20 0 BDADLO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000647244017 385043105 /nfs/dbraw/zinc/04/31/05/385043105.db2.gz SCWGVJQAYQWXJI-CABZTGNLSA-N 1 2 225.336 1.605 20 0 BDADLO CC(C(=O)NCCn1cc[nH+]c1)=C1CCCC1 ZINC000176547302 385111253 /nfs/dbraw/zinc/11/12/53/385111253.db2.gz HFJQRWXKNPORPU-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO CN(C[C@@H]1CC=CCC1)C(=O)Cc1c[nH+]cn1C ZINC000557765213 385115360 /nfs/dbraw/zinc/11/53/60/385115360.db2.gz OXIBIVWBGYGKTA-GFCCVEGCSA-N 1 2 247.342 1.777 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cn[nH]c2)o1 ZINC000308793490 385116817 /nfs/dbraw/zinc/11/68/17/385116817.db2.gz JHJHRZYYHOJXNQ-QMMMGPOBSA-N 1 2 206.249 1.557 20 0 BDADLO CCc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000189066521 385120629 /nfs/dbraw/zinc/12/06/29/385120629.db2.gz CEDMRTZNZWNGQK-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CCc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000189066521 385120637 /nfs/dbraw/zinc/12/06/37/385120637.db2.gz CEDMRTZNZWNGQK-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc[nH]1 ZINC000491953430 385121253 /nfs/dbraw/zinc/12/12/53/385121253.db2.gz KNPOYZPIQHPLPP-SGUJLRQBSA-N 1 2 244.298 1.429 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000189074535 385121429 /nfs/dbraw/zinc/12/14/29/385121429.db2.gz SIUOHABOHITJFE-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000189074535 385121434 /nfs/dbraw/zinc/12/14/34/385121434.db2.gz SIUOHABOHITJFE-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644716229 385134516 /nfs/dbraw/zinc/13/45/16/385134516.db2.gz GPYKNQZZLUHEMU-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644716229 385134520 /nfs/dbraw/zinc/13/45/20/385134520.db2.gz GPYKNQZZLUHEMU-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO CS(=O)(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000061744405 385135642 /nfs/dbraw/zinc/13/56/42/385135642.db2.gz CBEOCMIEYRRKPL-UHFFFAOYSA-N 1 2 239.340 1.089 20 0 BDADLO CS(=O)(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000061744405 385135647 /nfs/dbraw/zinc/13/56/47/385135647.db2.gz CBEOCMIEYRRKPL-UHFFFAOYSA-N 1 2 239.340 1.089 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000189261457 385138428 /nfs/dbraw/zinc/13/84/28/385138428.db2.gz OQCXICFESBDONL-GHMZBOCLSA-N 1 2 249.314 1.671 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@@H]1O ZINC000179862670 385139654 /nfs/dbraw/zinc/13/96/54/385139654.db2.gz UEMSTWYSUXQQEI-QWRGUYRKSA-N 1 2 235.287 1.425 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000644677071 385089866 /nfs/dbraw/zinc/08/98/66/385089866.db2.gz HZDKEOGEJNWZBC-JTQLQIEISA-N 1 2 231.303 1.701 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000644677071 385089874 /nfs/dbraw/zinc/08/98/74/385089874.db2.gz HZDKEOGEJNWZBC-JTQLQIEISA-N 1 2 231.303 1.701 20 0 BDADLO COCC1([N@H+](C)Cc2nnc(C(C)C)[nH]2)CC1 ZINC000644680031 385093671 /nfs/dbraw/zinc/09/36/71/385093671.db2.gz NMNNBKPQFHABPE-UHFFFAOYSA-N 1 2 238.335 1.539 20 0 BDADLO COCC1([N@@H+](C)Cc2nnc(C(C)C)[nH]2)CC1 ZINC000644680031 385093677 /nfs/dbraw/zinc/09/36/77/385093677.db2.gz NMNNBKPQFHABPE-UHFFFAOYSA-N 1 2 238.335 1.539 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1cscn1 ZINC000188894711 385105835 /nfs/dbraw/zinc/10/58/35/385105835.db2.gz RMDRGMWJQOALBC-UHFFFAOYSA-N 1 2 236.287 1.857 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1cscn1 ZINC000188894711 385105838 /nfs/dbraw/zinc/10/58/38/385105838.db2.gz RMDRGMWJQOALBC-UHFFFAOYSA-N 1 2 236.287 1.857 20 0 BDADLO C=C/C(C)=C\CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000648291078 385106255 /nfs/dbraw/zinc/10/62/55/385106255.db2.gz WESZONYOJIFOAU-YHYXMXQVSA-N 1 2 219.288 1.891 20 0 BDADLO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000647248230 385191263 /nfs/dbraw/zinc/19/12/63/385191263.db2.gz HZQOQDFJBCCAGU-PHIMTYICSA-N 1 2 223.320 1.845 20 0 BDADLO CCc1cc(O)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000360474598 385193635 /nfs/dbraw/zinc/19/36/35/385193635.db2.gz QGDBKMLCXZVKMQ-UHFFFAOYSA-N 1 2 245.282 1.790 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000176762000 385144807 /nfs/dbraw/zinc/14/48/07/385144807.db2.gz VOJCKTZEOITPCR-LLVKDONJSA-N 1 2 249.314 1.999 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000151984613 385146237 /nfs/dbraw/zinc/14/62/37/385146237.db2.gz OJCKGVCJDMNMTP-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000151984613 385146242 /nfs/dbraw/zinc/14/62/42/385146242.db2.gz OJCKGVCJDMNMTP-ZDUSSCGKSA-N 1 2 249.310 1.920 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cscn1 ZINC000113349567 385147220 /nfs/dbraw/zinc/14/72/20/385147220.db2.gz KDBRHDWKZLOIMM-QMMMGPOBSA-N 1 2 248.373 1.056 20 0 BDADLO Cc1ccc(NC(=O)NC[C@@H](C)CO)c(C)[nH+]1 ZINC000152251885 385170453 /nfs/dbraw/zinc/17/04/53/385170453.db2.gz SWPAIYNGPLDOCB-MRVPVSSYSA-N 1 2 237.303 1.448 20 0 BDADLO Cc1ccc(NC(=O)NC[C@H]2CCCO2)c(C)[nH+]1 ZINC000152307335 385173966 /nfs/dbraw/zinc/17/39/66/385173966.db2.gz YBZZIRHBALGRCI-LLVKDONJSA-N 1 2 249.314 1.999 20 0 BDADLO CC(C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000201275945 385206166 /nfs/dbraw/zinc/20/61/66/385206166.db2.gz HQSDPZBLRLGBKY-UHFFFAOYSA-N 1 2 218.300 1.744 20 0 BDADLO CC(C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000201275945 385206173 /nfs/dbraw/zinc/20/61/73/385206173.db2.gz HQSDPZBLRLGBKY-UHFFFAOYSA-N 1 2 218.300 1.744 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1nc(C)sc1C ZINC000429119892 385207217 /nfs/dbraw/zinc/20/72/17/385207217.db2.gz APNCGWSZTICCIU-UHFFFAOYSA-N 1 2 241.360 1.457 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1nc(C)sc1C ZINC000429119892 385207222 /nfs/dbraw/zinc/20/72/22/385207222.db2.gz APNCGWSZTICCIU-UHFFFAOYSA-N 1 2 241.360 1.457 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cncn2C)CCO1 ZINC000190109422 385210941 /nfs/dbraw/zinc/21/09/41/385210941.db2.gz IXQCUYNZYLXDNZ-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cncn2C)CCO1 ZINC000190109422 385210947 /nfs/dbraw/zinc/21/09/47/385210947.db2.gz IXQCUYNZYLXDNZ-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000110128593 385215286 /nfs/dbraw/zinc/21/52/86/385215286.db2.gz FMXYEURHSPYQBS-ZJUUUORDSA-N 1 2 233.315 1.968 20 0 BDADLO CCOCCO[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000130097841 385217489 /nfs/dbraw/zinc/21/74/89/385217489.db2.gz QVPDGHAXNMFZBQ-LBPRGKRZSA-N 1 2 236.315 1.713 20 0 BDADLO CCN(C)C(=O)CC[N@H+](C)Cc1cscn1 ZINC000130218443 385228033 /nfs/dbraw/zinc/22/80/33/385228033.db2.gz YMEPYGOYGOMHCS-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCN(C)C(=O)CC[N@@H+](C)Cc1cscn1 ZINC000130218443 385228038 /nfs/dbraw/zinc/22/80/38/385228038.db2.gz YMEPYGOYGOMHCS-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CC(C)=CCNC(=O)NCCn1cc[nH+]c1 ZINC000190491836 385246186 /nfs/dbraw/zinc/24/61/86/385246186.db2.gz RQTJRHCTKZJHNI-UHFFFAOYSA-N 1 2 222.292 1.149 20 0 BDADLO C[N@H+](CCOCCO)Cc1ccncc1Cl ZINC000301046704 385248712 /nfs/dbraw/zinc/24/87/12/385248712.db2.gz OXYSNJKSWGQMHM-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO C[N@@H+](CCOCCO)Cc1ccncc1Cl ZINC000301046704 385248719 /nfs/dbraw/zinc/24/87/19/385248719.db2.gz OXYSNJKSWGQMHM-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cncs1 ZINC000189993211 385202894 /nfs/dbraw/zinc/20/28/94/385202894.db2.gz PZRZLIIHZHKAES-LLVKDONJSA-N 1 2 240.328 1.671 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cncs1 ZINC000189993211 385202903 /nfs/dbraw/zinc/20/29/03/385202903.db2.gz PZRZLIIHZHKAES-LLVKDONJSA-N 1 2 240.328 1.671 20 0 BDADLO C[N@H+](Cc1nccs1)CC1(CO)CC1 ZINC000190027980 385205536 /nfs/dbraw/zinc/20/55/36/385205536.db2.gz KHCCIPWRQIHNOA-UHFFFAOYSA-N 1 2 212.318 1.347 20 0 BDADLO C[N@@H+](Cc1nccs1)CC1(CO)CC1 ZINC000190027980 385205544 /nfs/dbraw/zinc/20/55/44/385205544.db2.gz KHCCIPWRQIHNOA-UHFFFAOYSA-N 1 2 212.318 1.347 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccon1 ZINC000308982216 385324033 /nfs/dbraw/zinc/32/40/33/385324033.db2.gz IOCLUJVFGCFNMZ-VDTYLAMSSA-N 1 2 224.182 1.248 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCSCC2)[nH]1 ZINC000335881361 385310689 /nfs/dbraw/zinc/31/06/89/385310689.db2.gz CABQBUDCANMNPJ-UHFFFAOYSA-N 1 2 212.322 1.052 20 0 BDADLO Cc1nnc(C[N@H+]2CCCSCC2)[nH]1 ZINC000335881361 385310694 /nfs/dbraw/zinc/31/06/94/385310694.db2.gz CABQBUDCANMNPJ-UHFFFAOYSA-N 1 2 212.322 1.052 20 0 BDADLO C[C@@]1(O)CC[N@H+](CC(=O)OCc2ccccc2)C1 ZINC000177978142 385313150 /nfs/dbraw/zinc/31/31/50/385313150.db2.gz WYJQTQQIWYDJJG-CQSZACIVSA-N 1 2 249.310 1.187 20 0 BDADLO C[C@@]1(O)CC[N@@H+](CC(=O)OCc2ccccc2)C1 ZINC000177978142 385313157 /nfs/dbraw/zinc/31/31/57/385313157.db2.gz WYJQTQQIWYDJJG-CQSZACIVSA-N 1 2 249.310 1.187 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(F)n1 ZINC000131147706 385314788 /nfs/dbraw/zinc/31/47/88/385314788.db2.gz ZFXZMOHQAJCCHM-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CC(C)C)C(=O)OC ZINC000308963706 385315593 /nfs/dbraw/zinc/31/55/93/385315593.db2.gz TXHMDOHUJDZUJY-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000424964842 385259197 /nfs/dbraw/zinc/25/91/97/385259197.db2.gz GFIRVPOWKYHKNP-ZJUUUORDSA-N 1 2 231.299 1.114 20 0 BDADLO CC[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177711902 385274739 /nfs/dbraw/zinc/27/47/39/385274739.db2.gz MTMLOXLOQGMWMD-SNVBAGLBSA-N 1 2 246.314 1.932 20 0 BDADLO CCC[C@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292176900 385280563 /nfs/dbraw/zinc/28/05/63/385280563.db2.gz AOUVZFIPJZUPDI-JTQLQIEISA-N 1 2 238.335 1.750 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H]1C1CC1)C1CC1 ZINC000308908131 385283902 /nfs/dbraw/zinc/28/39/02/385283902.db2.gz CZUTYQYVJHCXBX-GMTAPVOTSA-N 1 2 209.289 1.326 20 0 BDADLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(N)=O)o1 ZINC000130930632 385294430 /nfs/dbraw/zinc/29/44/30/385294430.db2.gz CIYLIQKNGIUOEH-JTQLQIEISA-N 1 2 238.287 1.048 20 0 BDADLO COCc1ccc([C@@H]2CCC[N@H+]2CC(N)=O)o1 ZINC000130930632 385294437 /nfs/dbraw/zinc/29/44/37/385294437.db2.gz CIYLIQKNGIUOEH-JTQLQIEISA-N 1 2 238.287 1.048 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158045799 385330738 /nfs/dbraw/zinc/33/07/38/385330738.db2.gz JKOPJRNGAKQJKO-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000158045799 385330743 /nfs/dbraw/zinc/33/07/43/385330743.db2.gz JKOPJRNGAKQJKO-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO Cc1n[nH]cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000178092170 385332110 /nfs/dbraw/zinc/33/21/10/385332110.db2.gz DYHDDCDFTOEPSY-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO Cc1noc(C2CC[NH+](Cc3cocn3)CC2)n1 ZINC000191932839 385334520 /nfs/dbraw/zinc/33/45/20/385334520.db2.gz XGRLCLFICJXNMN-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO COC(=O)C[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000178854898 385338715 /nfs/dbraw/zinc/33/87/15/385338715.db2.gz CXUVJAHKOYURMW-JTQLQIEISA-N 1 2 235.287 1.317 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1O ZINC000335363182 385354082 /nfs/dbraw/zinc/35/40/82/385354082.db2.gz OGBSPABZUKTBIY-GHMZBOCLSA-N 1 2 243.253 1.156 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1O ZINC000335363182 385354086 /nfs/dbraw/zinc/35/40/86/385354086.db2.gz OGBSPABZUKTBIY-GHMZBOCLSA-N 1 2 243.253 1.156 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CC1CCC1 ZINC000154803413 385357462 /nfs/dbraw/zinc/35/74/62/385357462.db2.gz AYHDEZKXYKRFJS-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC=C(C)C1 ZINC000280701112 385357841 /nfs/dbraw/zinc/35/78/41/385357841.db2.gz CKSPWHGYLDTTQA-UHFFFAOYSA-N 1 2 211.305 1.982 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC=C(C)C1 ZINC000280701112 385357843 /nfs/dbraw/zinc/35/78/43/385357843.db2.gz CKSPWHGYLDTTQA-UHFFFAOYSA-N 1 2 211.305 1.982 20 0 BDADLO CCCc1nc(C[NH2+]C2(CO)CCCC2)no1 ZINC000179066523 385366149 /nfs/dbraw/zinc/36/61/49/385366149.db2.gz QNRFROODPLRULI-UHFFFAOYSA-N 1 2 239.319 1.417 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1CC1 ZINC000155029219 385369348 /nfs/dbraw/zinc/36/93/48/385369348.db2.gz IHXBKKCFQDLRJL-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO C[C@@H](CCO)CCNc1nc[nH+]c(N)c1Cl ZINC000295003352 385372224 /nfs/dbraw/zinc/37/22/24/385372224.db2.gz RZLWKMWGQZXHSA-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@@H](CCO)CCNc1[nH+]cnc(N)c1Cl ZINC000295003352 385372227 /nfs/dbraw/zinc/37/22/27/385372227.db2.gz RZLWKMWGQZXHSA-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO CC(C)(O)CCNc1cccc(-n2cc[nH+]c2)n1 ZINC000364367319 385390464 /nfs/dbraw/zinc/39/04/64/385390464.db2.gz WXONIFZFVRTYPK-UHFFFAOYSA-N 1 2 246.314 1.262 20 0 BDADLO CC(C)c1nc(NCC(=O)N(C)C)cc[nH+]1 ZINC000110115046 385382732 /nfs/dbraw/zinc/38/27/32/385382732.db2.gz INOSMGJOONOARY-UHFFFAOYSA-N 1 2 222.292 1.100 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn(C)c2)[C@H]1C ZINC000178587421 385394340 /nfs/dbraw/zinc/39/43/40/385394340.db2.gz SQGBRFWOPSUKPU-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn(C)c2)[C@H]1C ZINC000178587421 385394344 /nfs/dbraw/zinc/39/43/44/385394344.db2.gz SQGBRFWOPSUKPU-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C=Cn1cc(C[N@H+]2CCCC[C@@H]2C(=O)OC)cn1 ZINC000193647444 385406808 /nfs/dbraw/zinc/40/68/08/385406808.db2.gz WCEPHBRMBWBNCA-GFCCVEGCSA-N 1 2 249.314 1.511 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCCC[C@@H]2C(=O)OC)cn1 ZINC000193647444 385406816 /nfs/dbraw/zinc/40/68/16/385406816.db2.gz WCEPHBRMBWBNCA-GFCCVEGCSA-N 1 2 249.314 1.511 20 0 BDADLO CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155713459 385408314 /nfs/dbraw/zinc/40/83/14/385408314.db2.gz ASBKWCFPSICCAS-UHFFFAOYSA-N 1 2 235.287 1.185 20 0 BDADLO CCOCC[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC000181636623 385411590 /nfs/dbraw/zinc/41/15/90/385411590.db2.gz ICKILOMRUXSBGR-WDEREUQCSA-N 1 2 231.336 1.590 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000193999556 385421501 /nfs/dbraw/zinc/42/15/01/385421501.db2.gz BRKHVEZXDXIRIA-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000193999556 385421503 /nfs/dbraw/zinc/42/15/03/385421503.db2.gz BRKHVEZXDXIRIA-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cn3ccccc3n2)[C@H]1C ZINC000156184901 385440399 /nfs/dbraw/zinc/44/03/99/385440399.db2.gz IDHSTVNHMFWQOL-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cn3ccccc3n2)[C@H]1C ZINC000156184901 385440401 /nfs/dbraw/zinc/44/04/01/385440401.db2.gz IDHSTVNHMFWQOL-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO CC[C@@H]([NH2+]CCC1(F)CCC1)C(=O)OC ZINC000309163863 385445007 /nfs/dbraw/zinc/44/50/07/385445007.db2.gz IBHQDWURHBQSCZ-SECBINFHSA-N 1 2 217.284 1.810 20 0 BDADLO COCc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000179208431 385452362 /nfs/dbraw/zinc/45/23/62/385452362.db2.gz WZBFOHPIJKVKPP-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO COCc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000179208431 385452364 /nfs/dbraw/zinc/45/23/64/385452364.db2.gz WZBFOHPIJKVKPP-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000194951337 385453330 /nfs/dbraw/zinc/45/33/30/385453330.db2.gz RYSWFSLQDOSUQZ-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000194951337 385453335 /nfs/dbraw/zinc/45/33/35/385453335.db2.gz RYSWFSLQDOSUQZ-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492867589 385455419 /nfs/dbraw/zinc/45/54/19/385455419.db2.gz RTTDPRDNSGDTEQ-WQMVXFAESA-N 1 2 233.315 1.975 20 0 BDADLO c1cn(-c2cccc(NC3CCC3)n2)c[nH+]1 ZINC000378194733 385436169 /nfs/dbraw/zinc/43/61/69/385436169.db2.gz NAODQKMQIFJPMT-UHFFFAOYSA-N 1 2 214.272 1.654 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000492801627 385437824 /nfs/dbraw/zinc/43/78/24/385437824.db2.gz PCNMPGZZABJRQG-ZWNMCFTASA-N 1 2 235.287 1.060 20 0 BDADLO COCc1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000179394325 385465303 /nfs/dbraw/zinc/46/53/03/385465303.db2.gz MGMMVNLHVGJMLD-UHFFFAOYSA-N 1 2 237.299 1.438 20 0 BDADLO COCc1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000179394325 385465305 /nfs/dbraw/zinc/46/53/05/385465305.db2.gz MGMMVNLHVGJMLD-UHFFFAOYSA-N 1 2 237.299 1.438 20 0 BDADLO CC(C)c1noc(OCc2cc[nH+]c(N)c2)n1 ZINC000195501150 385472031 /nfs/dbraw/zinc/47/20/31/385472031.db2.gz ZOQGCLWBPWPJPA-UHFFFAOYSA-N 1 2 234.259 1.749 20 0 BDADLO FC(F)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000171669286 385505369 /nfs/dbraw/zinc/50/53/69/385505369.db2.gz XCALGHSUXJZEMG-QMMMGPOBSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000171669286 385505372 /nfs/dbraw/zinc/50/53/72/385505372.db2.gz XCALGHSUXJZEMG-QMMMGPOBSA-N 1 2 205.248 1.752 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364743390 385508259 /nfs/dbraw/zinc/50/82/59/385508259.db2.gz QIHBQSJHLQHQNB-AAEUAGOBSA-N 1 2 249.310 1.701 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364743390 385508264 /nfs/dbraw/zinc/50/82/64/385508264.db2.gz QIHBQSJHLQHQNB-AAEUAGOBSA-N 1 2 249.310 1.701 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1C/C=C/Cl ZINC000364738975 385509346 /nfs/dbraw/zinc/50/93/46/385509346.db2.gz NCKLPSRUVHPZLF-GDACHTDGSA-N 1 2 243.734 1.809 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1C/C=C/Cl ZINC000364738975 385509350 /nfs/dbraw/zinc/50/93/50/385509350.db2.gz NCKLPSRUVHPZLF-GDACHTDGSA-N 1 2 243.734 1.809 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCCCC1 ZINC000157626783 385510968 /nfs/dbraw/zinc/51/09/68/385510968.db2.gz XAAOBCVLBQVBAX-UHFFFAOYSA-N 1 2 219.288 1.506 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OC ZINC000183196752 385511617 /nfs/dbraw/zinc/51/16/17/385511617.db2.gz RKZRYDWEDJFMRU-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000364760017 385512076 /nfs/dbraw/zinc/51/20/76/385512076.db2.gz GDAXMHMDPBXHGU-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000364760017 385512083 /nfs/dbraw/zinc/51/20/83/385512083.db2.gz GDAXMHMDPBXHGU-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)c1nnc(CNCc2[nH]cc[nH+]2)s1 ZINC000309322820 385532389 /nfs/dbraw/zinc/53/23/89/385532389.db2.gz FPBOUYLHHQQLGP-UHFFFAOYSA-N 1 2 237.332 1.674 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171926276 385534000 /nfs/dbraw/zinc/53/40/00/385534000.db2.gz ZBHUQEVSNJRSCI-PSASIEDQSA-N 1 2 215.256 1.473 20 0 BDADLO O=C1NCC[N@@H+](CCCF)[C@@H]1c1cccs1 ZINC000364893543 385536475 /nfs/dbraw/zinc/53/64/75/385536475.db2.gz PYLYFBXXSHRLPJ-SNVBAGLBSA-N 1 2 242.319 1.581 20 0 BDADLO O=C1NCC[N@H+](CCCF)[C@@H]1c1cccs1 ZINC000364893543 385536478 /nfs/dbraw/zinc/53/64/78/385536478.db2.gz PYLYFBXXSHRLPJ-SNVBAGLBSA-N 1 2 242.319 1.581 20 0 BDADLO COC[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493661964 533126946 /nfs/dbraw/zinc/12/69/46/533126946.db2.gz YMECFNWOKQDSMP-BTDICHCPSA-N 1 2 249.314 1.450 20 0 BDADLO COC(=O)COC[C@@H](C)Nc1c[nH+]ccc1C ZINC000295799522 385527834 /nfs/dbraw/zinc/52/78/34/385527834.db2.gz SQDVKVQVLPGNQB-SNVBAGLBSA-N 1 2 238.287 1.380 20 0 BDADLO COC(=O)COC[C@H](C)Nc1c[nH+]cc(C)c1 ZINC000295673399 385528651 /nfs/dbraw/zinc/52/86/51/385528651.db2.gz KJGANKULENBEPX-JTQLQIEISA-N 1 2 238.287 1.380 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)on1 ZINC000107289811 385561348 /nfs/dbraw/zinc/56/13/48/385561348.db2.gz XNHGCKHKKFCACW-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO COC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280790882 385604592 /nfs/dbraw/zinc/60/45/92/385604592.db2.gz OZERUFOIDBBEHN-UHFFFAOYSA-N 1 2 233.271 1.698 20 0 BDADLO CCC[C@](C)([NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000262343018 385605063 /nfs/dbraw/zinc/60/50/63/385605063.db2.gz YYXQGOPHGHZGBJ-LBPRGKRZSA-N 1 2 247.302 1.414 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCOC2)c(C)c[nH+]1 ZINC000493470099 385579733 /nfs/dbraw/zinc/57/97/33/385579733.db2.gz VIKWKPJZPCTQFF-MVZIDQBPSA-N 1 2 246.310 1.652 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(C2CC2)CCC1 ZINC000280893673 385614207 /nfs/dbraw/zinc/61/42/07/385614207.db2.gz DIVFQUAIUXKXIR-UHFFFAOYSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1(C2CC2)CCC1 ZINC000280893673 385614217 /nfs/dbraw/zinc/61/42/17/385614217.db2.gz DIVFQUAIUXKXIR-UHFFFAOYSA-N 1 2 247.342 1.957 20 0 BDADLO COc1ncccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493756256 385614879 /nfs/dbraw/zinc/61/48/79/385614879.db2.gz NXSUKUNUYBJCAU-SNAWJCMRSA-N 1 2 244.254 1.465 20 0 BDADLO CCCCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000269649513 385617673 /nfs/dbraw/zinc/61/76/73/385617673.db2.gz TXAFQCRBRWCZRM-UHFFFAOYSA-N 1 2 246.318 1.847 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000066696139 385621988 /nfs/dbraw/zinc/62/19/88/385621988.db2.gz SCZSHLHHOQYKJF-SNVBAGLBSA-N 1 2 207.273 1.852 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000066696139 385621992 /nfs/dbraw/zinc/62/19/92/385621992.db2.gz SCZSHLHHOQYKJF-SNVBAGLBSA-N 1 2 207.273 1.852 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1ccco1 ZINC000054459213 385630017 /nfs/dbraw/zinc/63/00/17/385630017.db2.gz DPYNVYSTIVZPGU-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO CC(C)[C@H](C)CC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000365125024 385607959 /nfs/dbraw/zinc/60/79/59/385607959.db2.gz PADOUNJMRXIEBJ-LLVKDONJSA-N 1 2 249.358 1.987 20 0 BDADLO CCCC[C@@H](C)N(C)c1nc(C)[nH+]c(N)n1 ZINC000309476389 385608510 /nfs/dbraw/zinc/60/85/10/385608510.db2.gz VAQGDXFLXQYYQT-MRVPVSSYSA-N 1 2 223.324 1.777 20 0 BDADLO CCCC[C@@H](C)N(C)c1nc(N)nc(C)[nH+]1 ZINC000309476389 385608512 /nfs/dbraw/zinc/60/85/12/385608512.db2.gz VAQGDXFLXQYYQT-MRVPVSSYSA-N 1 2 223.324 1.777 20 0 BDADLO CN(CCC1CC1)C(=O)CCc1c[nH+]cn1C ZINC000281303188 385655015 /nfs/dbraw/zinc/65/50/15/385655015.db2.gz TYEKTQNBHTVPJM-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451118899 385659329 /nfs/dbraw/zinc/65/93/29/385659329.db2.gz BKVSNRGKMXWNDV-SNVBAGLBSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451118899 385659335 /nfs/dbraw/zinc/65/93/35/385659335.db2.gz BKVSNRGKMXWNDV-SNVBAGLBSA-N 1 2 240.347 1.010 20 0 BDADLO CN(CCCO)c1cc[nH+]c(C2CC2)n1 ZINC000281591211 385683289 /nfs/dbraw/zinc/68/32/89/385683289.db2.gz FBLLBHPZDNKWLP-UHFFFAOYSA-N 1 2 207.277 1.173 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000414530438 385686813 /nfs/dbraw/zinc/68/68/13/385686813.db2.gz XKTTWWBXWOYEBO-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000414530438 385686815 /nfs/dbraw/zinc/68/68/15/385686815.db2.gz XKTTWWBXWOYEBO-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO COC(=O)[C@H]([NH2+]CCSCC(C)C)C1CC1 ZINC000309550266 385687961 /nfs/dbraw/zinc/68/79/61/385687961.db2.gz IBDWJGYAJKIDDY-LLVKDONJSA-N 1 2 245.388 1.917 20 0 BDADLO COc1cc(C)[nH+]c(CN(C)c2cnn(C)c2)c1 ZINC000270256217 385688553 /nfs/dbraw/zinc/68/85/53/385688553.db2.gz JKEACLPCDHFMIU-UHFFFAOYSA-N 1 2 246.314 1.769 20 0 BDADLO C[C@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CCO1 ZINC000645220588 385689063 /nfs/dbraw/zinc/68/90/63/385689063.db2.gz MQRRSEYRIFRASB-RYUDHWBXSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)CCO1 ZINC000645220588 385689068 /nfs/dbraw/zinc/68/90/68/385689068.db2.gz MQRRSEYRIFRASB-RYUDHWBXSA-N 1 2 249.310 1.547 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)C1(C)C ZINC000184695613 385692011 /nfs/dbraw/zinc/69/20/11/385692011.db2.gz CUXMBYPYRGBUKL-BDAKNGLRSA-N 1 2 237.290 1.407 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000270437267 385707794 /nfs/dbraw/zinc/70/77/94/385707794.db2.gz DPCUCUTYIKTPIA-ONGXEEELSA-N 1 2 233.315 1.561 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000182817637 385709451 /nfs/dbraw/zinc/70/94/51/385709451.db2.gz BPKAQXDWIZNQFW-UHFFFAOYSA-N 1 2 219.292 1.143 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC1(F)CCC1)C1CC1 ZINC000309599040 385728085 /nfs/dbraw/zinc/72/80/85/385728085.db2.gz XBVQSYPQUAAUIZ-JTQLQIEISA-N 1 2 229.295 1.810 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCOC2(CCC2)C1 ZINC000270859475 385753388 /nfs/dbraw/zinc/75/33/88/385753388.db2.gz RKCWCSPBSYPLJG-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)o1 ZINC000282414748 385757647 /nfs/dbraw/zinc/75/76/47/385757647.db2.gz DIGHUBWTGRFZIL-SNVBAGLBSA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)o1 ZINC000282414748 385757655 /nfs/dbraw/zinc/75/76/55/385757655.db2.gz DIGHUBWTGRFZIL-SNVBAGLBSA-N 1 2 236.315 1.505 20 0 BDADLO C[C@H](O)C1CC[NH+](Cc2cnns2)CC1 ZINC000336699979 385758436 /nfs/dbraw/zinc/75/84/36/385758436.db2.gz PDSCZUPPCJYOAY-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nc(N2CCC([C@@H](C)O)CC2)cc[nH+]1 ZINC000230904781 385764666 /nfs/dbraw/zinc/76/46/66/385764666.db2.gz FZJRFEHLLZCJLT-SECBINFHSA-N 1 2 221.304 1.382 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCC1CC1)[C@@H](C)O ZINC000309648586 385767386 /nfs/dbraw/zinc/76/73/86/385767386.db2.gz NFWFYUIMMIHZCL-IQJOONFLSA-N 1 2 229.320 1.077 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)CCO ZINC000271000074 385769617 /nfs/dbraw/zinc/76/96/17/385769617.db2.gz DFWNRSNXJOCCQI-UHFFFAOYSA-N 1 2 237.303 1.673 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000309658104 385779241 /nfs/dbraw/zinc/77/92/41/385779241.db2.gz QMQDKEZMONIPCA-YYMQPOIQSA-N 1 2 243.372 1.979 20 0 BDADLO CO[C@@H](C)CCC(=O)NCCCn1cc[nH+]c1 ZINC000182957281 385725976 /nfs/dbraw/zinc/72/59/76/385725976.db2.gz VHHLEVFEUQZZGK-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](C)O ZINC000282049232 385726363 /nfs/dbraw/zinc/72/63/63/385726363.db2.gz RNESBDVHQXQCRN-MFKMUULPSA-N 1 2 249.310 1.140 20 0 BDADLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](C)O ZINC000282049232 385726366 /nfs/dbraw/zinc/72/63/66/385726366.db2.gz RNESBDVHQXQCRN-MFKMUULPSA-N 1 2 249.310 1.140 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@H+](CCC3CC3)C2)O1 ZINC000408459671 385726824 /nfs/dbraw/zinc/72/68/24/385726824.db2.gz YPFLHMIIEZEULG-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@@H+](CCC3CC3)C2)O1 ZINC000408459671 385726831 /nfs/dbraw/zinc/72/68/31/385726831.db2.gz YPFLHMIIEZEULG-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCC3CC3)C2)o1 ZINC000408459671 385726835 /nfs/dbraw/zinc/72/68/35/385726835.db2.gz YPFLHMIIEZEULG-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCC3CC3)C2)o1 ZINC000408459671 385726839 /nfs/dbraw/zinc/72/68/39/385726839.db2.gz YPFLHMIIEZEULG-JTQLQIEISA-N 1 2 237.303 1.755 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)o1 ZINC000271181728 385801098 /nfs/dbraw/zinc/80/10/98/385801098.db2.gz HVIAEPVLCGPCOX-USBNGQNGSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)o1 ZINC000271181728 385801099 /nfs/dbraw/zinc/80/10/99/385801099.db2.gz HVIAEPVLCGPCOX-USBNGQNGSA-N 1 2 241.356 1.929 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000283402297 385819727 /nfs/dbraw/zinc/81/97/27/385819727.db2.gz HHONMHTZVYVWPZ-AATRIKPKSA-N 1 2 207.277 1.680 20 0 BDADLO COc1c(C[N@@H+]2CCC[C@@H]2CF)c(C)nn1C ZINC000294200597 385821867 /nfs/dbraw/zinc/82/18/67/385821867.db2.gz XUVATIDNBZUETJ-SNVBAGLBSA-N 1 2 241.310 1.671 20 0 BDADLO COc1c(C[N@H+]2CCC[C@@H]2CF)c(C)nn1C ZINC000294200597 385821871 /nfs/dbraw/zinc/82/18/71/385821871.db2.gz XUVATIDNBZUETJ-SNVBAGLBSA-N 1 2 241.310 1.671 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)nn1 ZINC000283555651 385823206 /nfs/dbraw/zinc/82/32/06/385823206.db2.gz NMXOSHNWXIHITM-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)nn1 ZINC000283555651 385823210 /nfs/dbraw/zinc/82/32/10/385823210.db2.gz NMXOSHNWXIHITM-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO Cn1cncc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000271405474 385824978 /nfs/dbraw/zinc/82/49/78/385824978.db2.gz UYUMOTMHOSZMJU-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1cncc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000271405474 385824982 /nfs/dbraw/zinc/82/49/82/385824982.db2.gz UYUMOTMHOSZMJU-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1c[nH+]cc1CN(Cc1cccnc1)C1CC1 ZINC000271405474 385824988 /nfs/dbraw/zinc/82/49/88/385824988.db2.gz UYUMOTMHOSZMJU-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO COC[C@](C)([NH2+]CC1CCCC1)C(=O)OC ZINC000121241007 385829784 /nfs/dbraw/zinc/82/97/84/385829784.db2.gz DLQNKNUIJJZDIJ-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000335670869 385832350 /nfs/dbraw/zinc/83/23/50/385832350.db2.gz XLPSVXQEYBMDFU-UHFFFAOYSA-N 1 2 215.256 1.508 20 0 BDADLO C[C@H](O)CNc1cc(NC2CCCC2)nc[nH+]1 ZINC000294319514 385836671 /nfs/dbraw/zinc/83/66/71/385836671.db2.gz IQOHKTIBSXGATN-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO C[C@H](O)CNc1cc(NC2CCCC2)[nH+]cn1 ZINC000294319514 385836673 /nfs/dbraw/zinc/83/66/73/385836673.db2.gz IQOHKTIBSXGATN-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO COC(=O)c1c(OCc2c[nH+]cn2C)ccn1C ZINC000283977404 385843245 /nfs/dbraw/zinc/84/32/45/385843245.db2.gz GPKDQKRHRUIVHJ-UHFFFAOYSA-N 1 2 249.270 1.124 20 0 BDADLO Cc1noc(NCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000284107899 385851336 /nfs/dbraw/zinc/85/13/36/385851336.db2.gz WPGDYUHVIWSCOC-UHFFFAOYSA-N 1 2 243.270 1.946 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC1(F)F ZINC000294461278 385853033 /nfs/dbraw/zinc/85/30/33/385853033.db2.gz CHMIQKCKPUEGPE-SSDOTTSWSA-N 1 2 212.199 1.984 20 0 BDADLO CCC[C@H](O)CNC(=O)Nc1cc[nH+]cc1C ZINC000271115251 385788371 /nfs/dbraw/zinc/78/83/71/385788371.db2.gz HMTLGBRHHHOZGC-JTQLQIEISA-N 1 2 237.303 1.673 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282834054 385789519 /nfs/dbraw/zinc/78/95/19/385789519.db2.gz UZGDOSRGOXHVIY-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282834054 385789524 /nfs/dbraw/zinc/78/95/24/385789524.db2.gz UZGDOSRGOXHVIY-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@H](O)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000271127773 385790728 /nfs/dbraw/zinc/79/07/28/385790728.db2.gz LVNHZRXMNSANQY-NSHDSACASA-N 1 2 237.303 1.673 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCSC1 ZINC000282906466 385794041 /nfs/dbraw/zinc/79/40/41/385794041.db2.gz XHHSJEGKEJWYGM-GPYPMJJRSA-N 1 2 237.328 1.292 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)C/C=C\c1ccncc1 ZINC000494980747 533147355 /nfs/dbraw/zinc/14/73/55/533147355.db2.gz QUXQTCNPEHZLNL-WAYWQWQTSA-N 1 2 248.326 1.978 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)C/C=C\c1ccncc1 ZINC000494980747 533147361 /nfs/dbraw/zinc/14/73/61/533147361.db2.gz QUXQTCNPEHZLNL-WAYWQWQTSA-N 1 2 248.326 1.978 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000272253767 385888345 /nfs/dbraw/zinc/88/83/45/385888345.db2.gz IXAYEFMZBKUZLU-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CCO[C@H](C)C1 ZINC000272253767 385888347 /nfs/dbraw/zinc/88/83/47/385888347.db2.gz IXAYEFMZBKUZLU-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000285072640 385896935 /nfs/dbraw/zinc/89/69/35/385896935.db2.gz HAQKRFHDBVOUGF-JTQLQIEISA-N 1 2 246.314 1.592 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COC(C)C ZINC000122297920 385897516 /nfs/dbraw/zinc/89/75/16/385897516.db2.gz ACHNJXMCLHUBJS-UHFFFAOYSA-N 1 2 208.261 1.754 20 0 BDADLO COC1(C)CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000272355422 385898333 /nfs/dbraw/zinc/89/83/33/385898333.db2.gz LTAFPQRCAXXDQJ-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1c[nH+]cc1CS[C@H]1CCCOC1 ZINC000272422822 385900959 /nfs/dbraw/zinc/90/09/59/385900959.db2.gz IBWLVOBXTQGZAJ-JTQLQIEISA-N 1 2 212.318 1.832 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000643241968 385904790 /nfs/dbraw/zinc/90/47/90/385904790.db2.gz XLJYWFGWRVQCBO-VXGBXAGGSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CCc2nnc(C)[nH]2)no1 ZINC000285195040 385905266 /nfs/dbraw/zinc/90/52/66/385905266.db2.gz NVGHKRCPZGRTHY-QMMMGPOBSA-N 1 2 235.291 1.303 20 0 BDADLO O=C(c1cc(F)c[nH]1)N1CCn2c[nH+]cc2C1 ZINC000294867316 385905878 /nfs/dbraw/zinc/90/58/78/385905878.db2.gz YQMRPLBQNUTSIE-UHFFFAOYSA-N 1 2 234.234 1.006 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccno1 ZINC000335818651 385908430 /nfs/dbraw/zinc/90/84/30/385908430.db2.gz ZZRLQTIRYUWRLB-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccno1 ZINC000335818651 385908435 /nfs/dbraw/zinc/90/84/35/385908435.db2.gz ZZRLQTIRYUWRLB-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO COCc1cccc(C[NH2+]Cc2ncn(C)n2)c1 ZINC000218960701 385913503 /nfs/dbraw/zinc/91/35/03/385913503.db2.gz ZBMIZXRLMVZVCL-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000294923155 385916269 /nfs/dbraw/zinc/91/62/69/385916269.db2.gz AZKABIWRAGDKGT-SNVBAGLBSA-N 1 2 211.334 1.655 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000294923155 385916272 /nfs/dbraw/zinc/91/62/72/385916272.db2.gz AZKABIWRAGDKGT-SNVBAGLBSA-N 1 2 211.334 1.655 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000414588978 385865791 /nfs/dbraw/zinc/86/57/91/385865791.db2.gz WCKWDIRXFWAOKF-ZJRBINPNSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000414588978 385865793 /nfs/dbraw/zinc/86/57/93/385865793.db2.gz WCKWDIRXFWAOKF-ZJRBINPNSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000284384458 385865938 /nfs/dbraw/zinc/86/59/38/385865938.db2.gz FRLVESMWTCJOSO-MRVPVSSYSA-N 1 2 226.345 1.833 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000284384458 385865942 /nfs/dbraw/zinc/86/59/42/385865942.db2.gz FRLVESMWTCJOSO-MRVPVSSYSA-N 1 2 226.345 1.833 20 0 BDADLO Cc1cnccc1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000647809160 385867403 /nfs/dbraw/zinc/86/74/03/385867403.db2.gz XMADRHGZHRCDFQ-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO COc1nccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000294586950 385871074 /nfs/dbraw/zinc/87/10/74/385871074.db2.gz RCDNMFXACYLJET-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO CN(CCC(F)(F)F)C(=O)CCn1cc[nH+]c1 ZINC000338048540 385881064 /nfs/dbraw/zinc/88/10/64/385881064.db2.gz WUIGDSAPTHBCIL-UHFFFAOYSA-N 1 2 249.236 1.684 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000284727480 385882180 /nfs/dbraw/zinc/88/21/80/385882180.db2.gz WSGPYYMMGIRQGH-TUAOUCFPSA-N 1 2 248.330 1.675 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+]([C@H]2C=CCCC2)C1 ZINC000284727480 385882183 /nfs/dbraw/zinc/88/21/83/385882183.db2.gz WSGPYYMMGIRQGH-TUAOUCFPSA-N 1 2 248.330 1.675 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000294679134 385882678 /nfs/dbraw/zinc/88/26/78/385882678.db2.gz MUOKTRHTIZWQHR-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000294679134 385882682 /nfs/dbraw/zinc/88/26/82/385882682.db2.gz MUOKTRHTIZWQHR-FVMDXXJSSA-N 1 2 242.344 1.183 20 0 BDADLO C[N@H+](Cc1cocn1)[C@H](CO)c1ccccc1 ZINC000295129583 385976373 /nfs/dbraw/zinc/97/63/73/385976373.db2.gz XTZWICPCTKYUHJ-CYBMUJFWSA-N 1 2 232.283 1.840 20 0 BDADLO C[N@@H+](Cc1cocn1)[C@H](CO)c1ccccc1 ZINC000295129583 385976377 /nfs/dbraw/zinc/97/63/77/385976377.db2.gz XTZWICPCTKYUHJ-CYBMUJFWSA-N 1 2 232.283 1.840 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336769694 385991398 /nfs/dbraw/zinc/99/13/98/385991398.db2.gz SGULCRCCFIIGSD-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000285523492 385937343 /nfs/dbraw/zinc/93/73/43/385937343.db2.gz RVNOORGDKNULAU-UWVGGRQHSA-N 1 2 248.282 1.528 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC1OCCO1)CCO2 ZINC000285544372 385940753 /nfs/dbraw/zinc/94/07/53/385940753.db2.gz LUVGUYWAVUIHJS-UHFFFAOYSA-N 1 2 249.310 1.562 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC1OCCO1)CCO2 ZINC000285544372 385940756 /nfs/dbraw/zinc/94/07/56/385940756.db2.gz LUVGUYWAVUIHJS-UHFFFAOYSA-N 1 2 249.310 1.562 20 0 BDADLO C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)[C@H](C)[NH3+] ZINC000335047519 385944826 /nfs/dbraw/zinc/94/48/26/385944826.db2.gz VDIBUPIEJATGKP-NTSWFWBYSA-N 1 2 244.241 1.136 20 0 BDADLO CCN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000338306771 385953639 /nfs/dbraw/zinc/95/36/39/385953639.db2.gz WPOQFEZCQDPEBY-UHFFFAOYSA-N 1 2 236.319 1.309 20 0 BDADLO CC[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)OC ZINC000189236510 385953815 /nfs/dbraw/zinc/95/38/15/385953815.db2.gz QLSRWVUSRYBDOS-UWVGGRQHSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cn[nH]c1 ZINC000338294475 385956032 /nfs/dbraw/zinc/95/60/32/385956032.db2.gz APAIHNCBRWBRBH-SECBINFHSA-N 1 2 248.334 1.607 20 0 BDADLO Cc1cc(C2CC[NH+](Cc3ncc[nH]3)CC2)[nH]n1 ZINC000272968953 385957374 /nfs/dbraw/zinc/95/73/74/385957374.db2.gz OPRFVNNIBRJUAU-UHFFFAOYSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc(C2CC[NH+](Cc3ncc[nH]3)CC2)n[nH]1 ZINC000272968953 385957380 /nfs/dbraw/zinc/95/73/80/385957380.db2.gz OPRFVNNIBRJUAU-UHFFFAOYSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CO[C@H](C)C2)cc(C)[nH+]1 ZINC000335058191 385958927 /nfs/dbraw/zinc/95/89/27/385958927.db2.gz YWCFBFXBYPJNMQ-YPMHNXCESA-N 1 2 248.326 1.740 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCO[C@@H]2C)c[nH+]1 ZINC000335059114 385961296 /nfs/dbraw/zinc/96/12/96/385961296.db2.gz PJERSAZLLXXWIH-YPMHNXCESA-N 1 2 248.326 1.740 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)nn1 ZINC000334836178 385965849 /nfs/dbraw/zinc/96/58/49/385965849.db2.gz XZTMIGOPLSXNLG-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@H]2CF)nn1 ZINC000334836178 385965855 /nfs/dbraw/zinc/96/58/55/385965855.db2.gz XZTMIGOPLSXNLG-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccnc(NC(=O)NCc2[nH+]ccn2C)c1 ZINC000273072601 385965787 /nfs/dbraw/zinc/96/57/87/385965787.db2.gz AJOJQEFIYCLVES-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO CCc1ccc(O)c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000115156840 385973925 /nfs/dbraw/zinc/97/39/25/385973925.db2.gz FEMSYEJDSVTGMZ-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000345099765 385997383 /nfs/dbraw/zinc/99/73/83/385997383.db2.gz RIKOFMOWSZCSMF-UHFFFAOYSA-N 1 2 210.277 1.236 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345099765 385997391 /nfs/dbraw/zinc/99/73/91/385997391.db2.gz RIKOFMOWSZCSMF-UHFFFAOYSA-N 1 2 210.277 1.236 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccncc2)n1 ZINC000273416314 385997505 /nfs/dbraw/zinc/99/75/05/385997505.db2.gz PSJGLNBIGZKLCO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccncc2)n1 ZINC000273416314 385997514 /nfs/dbraw/zinc/99/75/14/385997514.db2.gz PSJGLNBIGZKLCO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000295583423 386055687 /nfs/dbraw/zinc/05/56/87/386055687.db2.gz NKFIXOMTIRHWHF-GFCCVEGCSA-N 1 2 239.294 1.624 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)C(=O)OC ZINC000336749735 385999296 /nfs/dbraw/zinc/99/92/96/385999296.db2.gz YWIFOWGKIWCXCS-NHCYSSNCSA-N 1 2 229.320 1.079 20 0 BDADLO CON(CC(C)(C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000286581130 386055979 /nfs/dbraw/zinc/05/59/79/386055979.db2.gz SOUDRHYYBYSRGD-UHFFFAOYSA-N 1 2 239.319 1.778 20 0 BDADLO CCO[C@H]1COCC[C@H]1Nc1cccc[nH+]1 ZINC000336770553 386008193 /nfs/dbraw/zinc/00/81/93/386008193.db2.gz TWYNSURWPHBONY-MNOVXSKESA-N 1 2 222.288 1.688 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)nn1 ZINC000295296698 386009066 /nfs/dbraw/zinc/00/90/66/386009066.db2.gz FDMPAVAEFXNCBL-GFCCVEGCSA-N 1 2 239.294 1.809 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)nn1 ZINC000295296698 386009069 /nfs/dbraw/zinc/00/90/69/386009069.db2.gz FDMPAVAEFXNCBL-GFCCVEGCSA-N 1 2 239.294 1.809 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000286223247 386010978 /nfs/dbraw/zinc/01/09/78/386010978.db2.gz DCJYOFDBYYRWIX-PHIMTYICSA-N 1 2 233.315 1.968 20 0 BDADLO Cc1nc(C2CC2)oc1C(=O)NCc1[nH]cc[nH+]1 ZINC000273599425 386017450 /nfs/dbraw/zinc/01/74/50/386017450.db2.gz KYOQVSYJAQZHIJ-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO C[N@H+](Cc1cccc(F)c1F)C(C)(C)C(N)=O ZINC000295376162 386019549 /nfs/dbraw/zinc/01/95/49/386019549.db2.gz KCUFNHAQRQOVOW-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO C[N@@H+](Cc1cccc(F)c1F)C(C)(C)C(N)=O ZINC000295376162 386019551 /nfs/dbraw/zinc/01/95/51/386019551.db2.gz KCUFNHAQRQOVOW-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO C[NH2+]Cc1noc([C@H](F)c2ccccc2)n1 ZINC000414638965 386022533 /nfs/dbraw/zinc/02/25/33/386022533.db2.gz FVFWZPFHTVJTRS-SNVBAGLBSA-N 1 2 221.235 1.848 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000189545520 386022917 /nfs/dbraw/zinc/02/29/17/386022917.db2.gz WEFYKHNEAGGBBE-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000295385163 386023863 /nfs/dbraw/zinc/02/38/63/386023863.db2.gz PJPAVXNUORDOPI-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000295385163 386023866 /nfs/dbraw/zinc/02/38/66/386023866.db2.gz PJPAVXNUORDOPI-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO CCC[N@@H+]1CC(=O)NC12C[C@@H](C)C[C@H](C)C2 ZINC000414186709 386027648 /nfs/dbraw/zinc/02/76/48/386027648.db2.gz PQLPIABJSPCKBJ-QWRGUYRKSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)NC12C[C@@H](C)C[C@H](C)C2 ZINC000414186709 386027652 /nfs/dbraw/zinc/02/76/52/386027652.db2.gz PQLPIABJSPCKBJ-QWRGUYRKSA-N 1 2 224.348 1.981 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CCC[C@@H](F)C2)n1 ZINC000335074176 386036822 /nfs/dbraw/zinc/03/68/22/386036822.db2.gz AFVLJQMLBOQGBX-HTQZYQBOSA-N 1 2 213.256 1.785 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCC(=O)[C@H](C)C2)CC1 ZINC000338568403 386057145 /nfs/dbraw/zinc/05/71/45/386057145.db2.gz DMYRLFKCQAQTAC-SNVBAGLBSA-N 1 2 239.315 1.241 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCC(=O)[C@H](C)C2)CC1 ZINC000338568403 386057150 /nfs/dbraw/zinc/05/71/50/386057150.db2.gz DMYRLFKCQAQTAC-SNVBAGLBSA-N 1 2 239.315 1.241 20 0 BDADLO Cn1ccnc1C[N@H+](C)CC1=CCCOC1 ZINC000273802462 386038936 /nfs/dbraw/zinc/03/89/36/386038936.db2.gz XGINFBSFLPSDDY-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CC1=CCCOC1 ZINC000273802462 386038941 /nfs/dbraw/zinc/03/89/41/386038941.db2.gz XGINFBSFLPSDDY-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000334437397 386043030 /nfs/dbraw/zinc/04/30/30/386043030.db2.gz RHNFMLXMKFZEIN-JTQLQIEISA-N 1 2 245.282 1.643 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(C(F)F)no1 ZINC000425424264 386043940 /nfs/dbraw/zinc/04/39/40/386043940.db2.gz WKVCABJRPNVZSH-UHFFFAOYSA-N 1 2 235.234 1.212 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(C(F)F)no1 ZINC000425424264 386043944 /nfs/dbraw/zinc/04/39/44/386043944.db2.gz WKVCABJRPNVZSH-UHFFFAOYSA-N 1 2 235.234 1.212 20 0 BDADLO CO[C@@H](C[N@@H+]1CCNC(=O)[C@@H]1C)c1ccccc1 ZINC000338549052 386044798 /nfs/dbraw/zinc/04/47/98/386044798.db2.gz MEPNGUNAWRLOHP-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C[N@H+]1CCNC(=O)[C@@H]1C)c1ccccc1 ZINC000338549052 386044803 /nfs/dbraw/zinc/04/48/03/386044803.db2.gz MEPNGUNAWRLOHP-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000334439566 386047993 /nfs/dbraw/zinc/04/79/93/386047993.db2.gz LBDBFNGGELNEET-WDEREUQCSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000334439566 386047999 /nfs/dbraw/zinc/04/79/99/386047999.db2.gz LBDBFNGGELNEET-WDEREUQCSA-N 1 2 237.347 1.816 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)[C@H]1CCSC1 ZINC000425426569 386051322 /nfs/dbraw/zinc/05/13/22/386051322.db2.gz WJZUTMBWPYCAJZ-LURJTMIESA-N 1 2 249.286 1.945 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@H]1CCSC1 ZINC000425426569 386051326 /nfs/dbraw/zinc/05/13/26/386051326.db2.gz WJZUTMBWPYCAJZ-LURJTMIESA-N 1 2 249.286 1.945 20 0 BDADLO Cn1cc(C[NH+]2CCSCC2)c(C(F)F)n1 ZINC000274469290 386109061 /nfs/dbraw/zinc/10/90/61/386109061.db2.gz JJGDTGGECQSKKC-UHFFFAOYSA-N 1 2 247.314 1.907 20 0 BDADLO CCC1(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000295978894 386117937 /nfs/dbraw/zinc/11/79/37/386117937.db2.gz SYGGSJITOIVTQQ-UHFFFAOYSA-N 1 2 243.310 1.936 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ncc[nH]2)O1 ZINC000647930010 386121033 /nfs/dbraw/zinc/12/10/33/386121033.db2.gz LXKNXGHOCHXHNO-ZJUUUORDSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ncc[nH]2)O1 ZINC000647930010 386121037 /nfs/dbraw/zinc/12/10/37/386121037.db2.gz LXKNXGHOCHXHNO-ZJUUUORDSA-N 1 2 209.293 1.409 20 0 BDADLO Cn1ccc(CNc2cc[nH+]c3ccncc23)n1 ZINC000345166004 386063056 /nfs/dbraw/zinc/06/30/56/386063056.db2.gz VFZWIMYILVKGJL-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO c1cn(CCCN2CCCc3n[nH]cc32)c[nH+]1 ZINC000425440061 386064665 /nfs/dbraw/zinc/06/46/65/386064665.db2.gz CPEYZDSWPWGLKX-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCCOC2)cc(C)[nH+]1 ZINC000335073253 386065149 /nfs/dbraw/zinc/06/51/49/386065149.db2.gz LGJGTQGGQYDTGQ-ZDUSSCGKSA-N 1 2 248.326 1.741 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)C(C)C)C2 ZINC000365367786 386067276 /nfs/dbraw/zinc/06/72/76/386067276.db2.gz JNIHDZCGDSGPSC-NWDGAFQWSA-N 1 2 249.358 1.915 20 0 BDADLO C[C@H]([NH2+]Cc1ncc(Cl)n1C)c1cn[nH]c1 ZINC000274081873 386068340 /nfs/dbraw/zinc/06/83/40/386068340.db2.gz QRVIJWIVVHNEPL-ZETCQYMHSA-N 1 2 239.710 1.647 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](C/C=C/Cl)[C@H]12 ZINC000366643083 386070313 /nfs/dbraw/zinc/07/03/13/386070313.db2.gz OLNXIWUQMLDIFP-JOWNYMRCSA-N 1 2 215.680 1.376 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](C/C=C/Cl)[C@H]12 ZINC000366643083 386070315 /nfs/dbraw/zinc/07/03/15/386070315.db2.gz OLNXIWUQMLDIFP-JOWNYMRCSA-N 1 2 215.680 1.376 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000331838352 386074807 /nfs/dbraw/zinc/07/48/07/386074807.db2.gz FRSBBYFUQLSRMR-JOYOIKCWSA-N 1 2 221.304 1.771 20 0 BDADLO Cc1n[nH]cc1CNC(=O)Nc1cc[nH+]cc1C ZINC000274131437 386075885 /nfs/dbraw/zinc/07/58/85/386075885.db2.gz PGEYDWHYWDHDDB-UHFFFAOYSA-N 1 2 245.286 1.743 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)C[C@H](C)OC ZINC000425444075 386076447 /nfs/dbraw/zinc/07/64/47/386076447.db2.gz LEBHCGWNHBIIRK-ZETCQYMHSA-N 1 2 249.261 1.864 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)C[C@H](C)OC ZINC000425444075 386076448 /nfs/dbraw/zinc/07/64/48/386076448.db2.gz LEBHCGWNHBIIRK-ZETCQYMHSA-N 1 2 249.261 1.864 20 0 BDADLO C[N@H+](CCO)Cc1ncc(Cl)s1 ZINC000308076415 386078972 /nfs/dbraw/zinc/07/89/72/386078972.db2.gz DBVRLKUNMGCKNT-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO C[N@@H+](CCO)Cc1ncc(Cl)s1 ZINC000308076415 386078975 /nfs/dbraw/zinc/07/89/75/386078975.db2.gz DBVRLKUNMGCKNT-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO Cc1[nH]c(C(=O)NCC2=CCCCC2)c[nH+]1 ZINC000295793938 386087764 /nfs/dbraw/zinc/08/77/64/386087764.db2.gz MMGXVVZIXUAIIT-UHFFFAOYSA-N 1 2 219.288 1.948 20 0 BDADLO Cc1nc(NCc2cn3cc(C)ccc3[nH+]2)n[nH]1 ZINC000295814493 386089561 /nfs/dbraw/zinc/08/95/61/386089561.db2.gz CZHGXTLZHFYTOH-UHFFFAOYSA-N 1 2 242.286 1.681 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000287066284 386093539 /nfs/dbraw/zinc/09/35/39/386093539.db2.gz LBQLESWYWRZWAE-VXGBXAGGSA-N 1 2 249.314 1.767 20 0 BDADLO Cc1nnc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000287747371 386144698 /nfs/dbraw/zinc/14/46/98/386144698.db2.gz GPFYYOFKTMGMME-ONGXEEELSA-N 1 2 247.302 1.662 20 0 BDADLO COc1ccncc1CN(C)Cc1[nH+]ccn1C ZINC000287723699 386145926 /nfs/dbraw/zinc/14/59/26/386145926.db2.gz KFCACPDRJJPGPP-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CCOCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000027986975 386146550 /nfs/dbraw/zinc/14/65/50/386146550.db2.gz JFABQLCELOTMRL-UHFFFAOYSA-N 1 2 220.276 1.715 20 0 BDADLO CO[C@H](C[N@H+]1CC(=O)N[C@H](C)C1)c1ccccc1 ZINC000296259048 386156292 /nfs/dbraw/zinc/15/62/92/386156292.db2.gz PRQWOLCPXIXVRY-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C[N@@H+]1CC(=O)N[C@H](C)C1)c1ccccc1 ZINC000296259048 386156297 /nfs/dbraw/zinc/15/62/97/386156297.db2.gz PRQWOLCPXIXVRY-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000190213942 386160664 /nfs/dbraw/zinc/16/06/64/386160664.db2.gz QOLVYCZZMLRBTC-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000190213942 386160667 /nfs/dbraw/zinc/16/06/67/386160667.db2.gz QOLVYCZZMLRBTC-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccon1)C(C)C ZINC000296305099 386161684 /nfs/dbraw/zinc/16/16/84/386161684.db2.gz NUBARSMLCWISDF-NSHDSACASA-N 1 2 239.319 1.267 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccs2)CC[S@]1=O ZINC000334477719 386164646 /nfs/dbraw/zinc/16/46/46/386164646.db2.gz PQCPKVGFFJHIPB-YMTOWFKASA-N 1 2 229.370 1.701 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccs2)CC[S@]1=O ZINC000334477719 386164653 /nfs/dbraw/zinc/16/46/53/386164653.db2.gz PQCPKVGFFJHIPB-YMTOWFKASA-N 1 2 229.370 1.701 20 0 BDADLO COC(=O)[C@@H](C)Sc1[nH+]cnc2[nH]ccc21 ZINC000263716636 386169503 /nfs/dbraw/zinc/16/95/03/386169503.db2.gz AROUMPDUXLICLX-ZCFIWIBFSA-N 1 2 237.284 1.612 20 0 BDADLO O=C(c1c[nH]cn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000263750257 386171435 /nfs/dbraw/zinc/17/14/35/386171435.db2.gz PVDNJBNPZUBAIF-SNVBAGLBSA-N 1 2 245.286 1.500 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000414373357 386175644 /nfs/dbraw/zinc/17/56/44/386175644.db2.gz RRJMWLXVRSFHNV-SNVBAGLBSA-N 1 2 221.304 1.260 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000414373357 386175647 /nfs/dbraw/zinc/17/56/47/386175647.db2.gz RRJMWLXVRSFHNV-SNVBAGLBSA-N 1 2 221.304 1.260 20 0 BDADLO CO[C@@H](C[N@@H+](CC(F)F)C[C@H](C)O)C1CC1 ZINC000425495776 386176944 /nfs/dbraw/zinc/17/69/44/386176944.db2.gz TUMOYHDLFIQWJQ-WPRPVWTQSA-N 1 2 237.290 1.359 20 0 BDADLO CO[C@@H](C[N@H+](CC(F)F)C[C@H](C)O)C1CC1 ZINC000425495776 386176948 /nfs/dbraw/zinc/17/69/48/386176948.db2.gz TUMOYHDLFIQWJQ-WPRPVWTQSA-N 1 2 237.290 1.359 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C)nn1 ZINC000414373379 386178142 /nfs/dbraw/zinc/17/81/42/386178142.db2.gz RULKOQVNYYZKPH-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C)nn1 ZINC000414373379 386178145 /nfs/dbraw/zinc/17/81/45/386178145.db2.gz RULKOQVNYYZKPH-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C(C)(F)F ZINC000338932198 386182701 /nfs/dbraw/zinc/18/27/01/386182701.db2.gz ZERPQJUPJNXQSY-IUCAKERBSA-N 1 2 245.273 1.679 20 0 BDADLO C[C@]1(CNc2nc[nH+]c(N)c2Cl)CCCO1 ZINC000235741463 386187932 /nfs/dbraw/zinc/18/79/32/386187932.db2.gz RRNCAZHJZNPCPO-SNVBAGLBSA-N 1 2 242.710 1.693 20 0 BDADLO C[C@]1(CNc2[nH+]cnc(N)c2Cl)CCCO1 ZINC000235741463 386187939 /nfs/dbraw/zinc/18/79/39/386187939.db2.gz RRNCAZHJZNPCPO-SNVBAGLBSA-N 1 2 242.710 1.693 20 0 BDADLO Cn1c[nH+]cc1CN1CC(C(F)F)C1 ZINC000647930108 386135177 /nfs/dbraw/zinc/13/51/77/386135177.db2.gz PTYPSDRAAIWNIM-UHFFFAOYSA-N 1 2 201.220 1.117 20 0 BDADLO CCCCCNC(=O)NCc1[nH+]ccn1CC ZINC000296152150 386142270 /nfs/dbraw/zinc/14/22/70/386142270.db2.gz JTPOCFXYFVWMQP-UHFFFAOYSA-N 1 2 238.335 1.892 20 0 BDADLO Cc1[nH]c(C(=O)NCCCOCC2CC2)c[nH+]1 ZINC000264661535 386260145 /nfs/dbraw/zinc/26/01/45/386260145.db2.gz HVFAONINLAMFNA-UHFFFAOYSA-N 1 2 237.303 1.265 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@@H]2C)nc[nH+]1 ZINC000264318636 386226901 /nfs/dbraw/zinc/22/69/01/386226901.db2.gz JIJYXHFTPLFKHL-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@@H]2C)[nH+]cn1 ZINC000264318636 386226906 /nfs/dbraw/zinc/22/69/06/386226906.db2.gz JIJYXHFTPLFKHL-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@H](C)Cn2cccn2)o1 ZINC000264402487 386233574 /nfs/dbraw/zinc/23/35/74/386233574.db2.gz WAYCULMHIDWVBF-SNVBAGLBSA-N 1 2 249.318 1.568 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C(=O)c2ccccc2)C1 ZINC000297231637 386234464 /nfs/dbraw/zinc/23/44/64/386234464.db2.gz YJJMAEHTKJIKBI-UHFFFAOYSA-N 1 2 246.310 1.078 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=CCCCC1 ZINC000275750107 386236499 /nfs/dbraw/zinc/23/64/99/386236499.db2.gz SIVCEEPNWAZETJ-NSHDSACASA-N 1 2 233.315 1.888 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000339073777 386238825 /nfs/dbraw/zinc/23/88/25/386238825.db2.gz MQMRSMWGXWRWQX-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000339073777 386238829 /nfs/dbraw/zinc/23/88/29/386238829.db2.gz MQMRSMWGXWRWQX-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nc(N(C)C)nc(NC2CCCCC2)[nH+]1 ZINC000408361616 386239859 /nfs/dbraw/zinc/23/98/59/386239859.db2.gz HYJUZNGRALZYLV-UHFFFAOYSA-N 1 2 235.335 1.413 20 0 BDADLO Cc1nc(NC2CCCCC2)nc(N(C)C)[nH+]1 ZINC000408361616 386239864 /nfs/dbraw/zinc/23/98/64/386239864.db2.gz HYJUZNGRALZYLV-UHFFFAOYSA-N 1 2 235.335 1.413 20 0 BDADLO Cc1ncccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000264561155 386248486 /nfs/dbraw/zinc/24/84/86/386248486.db2.gz RBQWMUSGSBHFAX-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000336643333 386249375 /nfs/dbraw/zinc/24/93/75/386249375.db2.gz CCEIFDSGLPWJIF-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000336643333 386249381 /nfs/dbraw/zinc/24/93/81/386249381.db2.gz CCEIFDSGLPWJIF-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1cc[nH]n1 ZINC000336643585 386251137 /nfs/dbraw/zinc/25/11/37/386251137.db2.gz DBRWCPVPVVKQHI-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1cc[nH]n1 ZINC000336643585 386251141 /nfs/dbraw/zinc/25/11/41/386251141.db2.gz DBRWCPVPVVKQHI-UHFFFAOYSA-N 1 2 211.309 1.657 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc[nH]c1 ZINC000264597247 386252294 /nfs/dbraw/zinc/25/22/94/386252294.db2.gz UAYXZCIADZIBAF-SECBINFHSA-N 1 2 218.260 1.030 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2cccs2)c[nH+]1 ZINC000264618458 386255120 /nfs/dbraw/zinc/25/51/20/386255120.db2.gz BAPCEIAZNDPIEF-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](C)C2)no1 ZINC000336648151 386256826 /nfs/dbraw/zinc/25/68/26/386256826.db2.gz NNPAYFYWYWRINV-VIFPVBQESA-N 1 2 209.293 1.864 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](C)C2)no1 ZINC000336648151 386256831 /nfs/dbraw/zinc/25/68/31/386256831.db2.gz NNPAYFYWYWRINV-VIFPVBQESA-N 1 2 209.293 1.864 20 0 BDADLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275232524 386194344 /nfs/dbraw/zinc/19/43/44/386194344.db2.gz WADDZOPQANQORJ-QMMMGPOBSA-N 1 2 249.270 1.640 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC)nc1 ZINC000339001280 386198078 /nfs/dbraw/zinc/19/80/78/386198078.db2.gz QKKRHLWZTZPBAK-CYBMUJFWSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC)nc1 ZINC000339001280 386198082 /nfs/dbraw/zinc/19/80/82/386198082.db2.gz QKKRHLWZTZPBAK-CYBMUJFWSA-N 1 2 247.342 1.354 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cs1 ZINC000296727072 386198097 /nfs/dbraw/zinc/19/80/97/386198097.db2.gz JJVODIZXYVSAQF-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cs1 ZINC000296727072 386198101 /nfs/dbraw/zinc/19/81/01/386198101.db2.gz JJVODIZXYVSAQF-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO CCCn1cc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338998566 386198649 /nfs/dbraw/zinc/19/86/49/386198649.db2.gz OEXINNUHDWCAHS-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CCCn1cc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000338998566 386198651 /nfs/dbraw/zinc/19/86/51/386198651.db2.gz OEXINNUHDWCAHS-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CC(C)Cn1cc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000338999218 386199119 /nfs/dbraw/zinc/19/91/19/386199119.db2.gz WYPUCBIWRLOVIJ-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)Cn1cc(C[N@H+]2CCOCC23CC3)cn1 ZINC000338999218 386199122 /nfs/dbraw/zinc/19/91/22/386199122.db2.gz WYPUCBIWRLOVIJ-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CC(F)(F)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000289289610 386280945 /nfs/dbraw/zinc/28/09/45/386280945.db2.gz UGDNBBMRBMKVAK-QMMMGPOBSA-N 1 2 243.257 1.771 20 0 BDADLO Cc1n[nH]cc1CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264879660 386281822 /nfs/dbraw/zinc/28/18/22/386281822.db2.gz SOLPYVUYMFGFOJ-UHFFFAOYSA-N 1 2 247.302 1.112 20 0 BDADLO Cn1ncc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000289337801 386288670 /nfs/dbraw/zinc/28/86/70/386288670.db2.gz ITUGIYZOZPDBFB-NSHDSACASA-N 1 2 246.318 1.265 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2nccs2)c1 ZINC000336667922 386295169 /nfs/dbraw/zinc/29/51/69/386295169.db2.gz PUXYCOQJPIWTNU-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2nccs2)c1 ZINC000336667922 386295174 /nfs/dbraw/zinc/29/51/74/386295174.db2.gz PUXYCOQJPIWTNU-UHFFFAOYSA-N 1 2 236.344 1.780 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336668015 386295276 /nfs/dbraw/zinc/29/52/76/386295276.db2.gz QQVLXNCYEDPUGE-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336668015 386295279 /nfs/dbraw/zinc/29/52/79/386295279.db2.gz QQVLXNCYEDPUGE-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO Nc1cc(C[N@H+](C2CC2)C2COC2)ccn1 ZINC000298044467 386295951 /nfs/dbraw/zinc/29/59/51/386295951.db2.gz DMUUVMMEHWDNEL-UHFFFAOYSA-N 1 2 219.288 1.027 20 0 BDADLO Nc1cc(C[N@@H+](C2CC2)C2COC2)ccn1 ZINC000298044467 386295954 /nfs/dbraw/zinc/29/59/54/386295954.db2.gz DMUUVMMEHWDNEL-UHFFFAOYSA-N 1 2 219.288 1.027 20 0 BDADLO O=C1OCC[C@H]1[NH2+][C@H]1CCc2ccccc2OC1 ZINC000366986657 386299349 /nfs/dbraw/zinc/29/93/49/386299349.db2.gz FNIJAHWARXPFKR-NWDGAFQWSA-N 1 2 247.294 1.285 20 0 BDADLO O=C(C=C1CCCCC1)NCc1[nH]cc[nH+]1 ZINC000265094931 386305315 /nfs/dbraw/zinc/30/53/15/386305315.db2.gz DUIHPZWUFUNAFH-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000335266889 386305473 /nfs/dbraw/zinc/30/54/73/386305473.db2.gz ZFTNOZVTSIGQOG-MGPLVRAMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000335266889 386305479 /nfs/dbraw/zinc/30/54/79/386305479.db2.gz ZFTNOZVTSIGQOG-MGPLVRAMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000265161867 386312005 /nfs/dbraw/zinc/31/20/05/386312005.db2.gz RLQNPHHGYDXCAQ-CQSZACIVSA-N 1 2 245.326 1.715 20 0 BDADLO Cc1cc(C(=O)C[N@@H+](C)C2CC(O)C2)c(C)[nH]1 ZINC000331944246 386313234 /nfs/dbraw/zinc/31/32/34/386313234.db2.gz HWCGIAHAHTXPLA-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO Cc1cc(C(=O)C[N@H+](C)C2CC(O)C2)c(C)[nH]1 ZINC000331944246 386313239 /nfs/dbraw/zinc/31/32/39/386313239.db2.gz HWCGIAHAHTXPLA-UHFFFAOYSA-N 1 2 236.315 1.269 20 0 BDADLO Cc1cc(N[C@@H]2CO[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000402006576 386319235 /nfs/dbraw/zinc/31/92/35/386319235.db2.gz AGTNWBCRZVNISN-QWRGUYRKSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2CCC2)[nH+]cn1 ZINC000298290617 386319876 /nfs/dbraw/zinc/31/98/76/386319876.db2.gz QDOSTPCPHLMQPJ-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2CCC2)nc[nH+]1 ZINC000298290617 386319880 /nfs/dbraw/zinc/31/98/80/386319880.db2.gz QDOSTPCPHLMQPJ-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO CO[C@@H](C)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000276038170 386266739 /nfs/dbraw/zinc/26/67/39/386266739.db2.gz NADKMQZERYVOPU-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO CO[C@@H](C)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000276038170 386266746 /nfs/dbraw/zinc/26/67/46/386266746.db2.gz NADKMQZERYVOPU-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO CC[N@H+](CCOC)Cc1nccc(C)n1 ZINC000336651196 386266783 /nfs/dbraw/zinc/26/67/83/386266783.db2.gz USVSNNMUUVXYAW-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO CC[N@@H+](CCOC)Cc1nccc(C)n1 ZINC000336651196 386266789 /nfs/dbraw/zinc/26/67/89/386266789.db2.gz USVSNNMUUVXYAW-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1C(C)(C)C1(C)C ZINC000339163929 386270728 /nfs/dbraw/zinc/27/07/28/386270728.db2.gz IRSOTIWPCRCLHN-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CCc1ncc(C[N@H+](C)Cc2ccc[nH]2)cn1 ZINC000414392707 386272278 /nfs/dbraw/zinc/27/22/78/386272278.db2.gz CKIXDLYTTRYAJX-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1ncc(C[N@@H+](C)Cc2ccc[nH]2)cn1 ZINC000414392707 386272285 /nfs/dbraw/zinc/27/22/85/386272285.db2.gz CKIXDLYTTRYAJX-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc[nH]1 ZINC000339171252 386274945 /nfs/dbraw/zinc/27/49/45/386274945.db2.gz MRGVHWZQVUIGGI-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1cnccn1 ZINC000289268593 386277430 /nfs/dbraw/zinc/27/74/30/386277430.db2.gz DSTLCSDQUROBEA-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000289268593 386277435 /nfs/dbraw/zinc/27/74/35/386277435.db2.gz DSTLCSDQUROBEA-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000298418983 386339993 /nfs/dbraw/zinc/33/99/93/386339993.db2.gz QOXSANCITZTWDY-MNOVXSKESA-N 1 2 243.310 1.649 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccon1)c1[nH]cc[nH+]1 ZINC000276527533 386341192 /nfs/dbraw/zinc/34/11/92/386341192.db2.gz CQYWPIQQCXBDEN-SECBINFHSA-N 1 2 234.259 1.525 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1CCCC1 ZINC000298422673 386341235 /nfs/dbraw/zinc/34/12/35/386341235.db2.gz HXLDLRZEBKWBGT-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000276540788 386341604 /nfs/dbraw/zinc/34/16/04/386341604.db2.gz GBQACQVLBQPQRA-SNAWJCMRSA-N 1 2 219.288 1.872 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(C(=O)OC)co1 ZINC000339288749 386342446 /nfs/dbraw/zinc/34/24/46/386342446.db2.gz DTYHVMOVFQFTOB-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(C(=O)OC)co1 ZINC000339288749 386342449 /nfs/dbraw/zinc/34/24/49/386342449.db2.gz DTYHVMOVFQFTOB-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1CC1 ZINC000298495274 386351370 /nfs/dbraw/zinc/35/13/70/386351370.db2.gz XKSCZPMCVRUMJJ-VIFPVBQESA-N 1 2 207.277 1.188 20 0 BDADLO CC(C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000276622921 386354467 /nfs/dbraw/zinc/35/44/67/386354467.db2.gz VAKKNNJIWAQPOJ-UHFFFAOYSA-N 1 2 209.293 1.220 20 0 BDADLO CCCCCNC(=O)CCc1c[nH+]cn1C ZINC000276679090 386361632 /nfs/dbraw/zinc/36/16/32/386361632.db2.gz ONAWGAHCMWIGEC-UHFFFAOYSA-N 1 2 223.320 1.659 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000347362717 386366623 /nfs/dbraw/zinc/36/66/23/386366623.db2.gz MURPOFQEWRTFAZ-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000347362717 386366630 /nfs/dbraw/zinc/36/66/30/386366630.db2.gz MURPOFQEWRTFAZ-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CC(C)COC[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC000265776673 386370367 /nfs/dbraw/zinc/37/03/67/386370367.db2.gz DIJWHWKHTVRNNE-LBPRGKRZSA-N 1 2 242.319 1.140 20 0 BDADLO CC(C)COC[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC000265776673 386370377 /nfs/dbraw/zinc/37/03/77/386370377.db2.gz DIJWHWKHTVRNNE-LBPRGKRZSA-N 1 2 242.319 1.140 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H]2CCCO2)nc1 ZINC000336690255 386370358 /nfs/dbraw/zinc/37/03/58/386370358.db2.gz APKMLTQDLNXQCG-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCO2)nc1 ZINC000336690255 386370365 /nfs/dbraw/zinc/37/03/65/386370365.db2.gz APKMLTQDLNXQCG-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347381024 386373084 /nfs/dbraw/zinc/37/30/84/386373084.db2.gz NJYXYYJGQXTZOC-GXSJLCMTSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347381024 386373088 /nfs/dbraw/zinc/37/30/88/386373088.db2.gz NJYXYYJGQXTZOC-GXSJLCMTSA-N 1 2 216.300 1.335 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1nccn1C ZINC000289962514 386376849 /nfs/dbraw/zinc/37/68/49/386376849.db2.gz YIFQOUGDVKFYRH-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO CN(C)c1cccnc1CNCc1[nH+]ccn1C ZINC000289962514 386376855 /nfs/dbraw/zinc/37/68/55/386376855.db2.gz YIFQOUGDVKFYRH-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC1CCC1)C1CC1 ZINC000336774917 386376976 /nfs/dbraw/zinc/37/69/76/386376976.db2.gz XLKMOHVAJJOZTB-LLVKDONJSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)nn1C ZINC000336696957 386377971 /nfs/dbraw/zinc/37/79/71/386377971.db2.gz JZDRDQVUPRXVSW-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)nn1C ZINC000336696957 386377974 /nfs/dbraw/zinc/37/79/74/386377974.db2.gz JZDRDQVUPRXVSW-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO CC(C)=CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000276815632 386377999 /nfs/dbraw/zinc/37/79/99/386377999.db2.gz NVGHBEDVWHVBRM-SNVBAGLBSA-N 1 2 206.293 1.621 20 0 BDADLO CC(C)=CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000276815632 386378002 /nfs/dbraw/zinc/37/80/02/386378002.db2.gz NVGHBEDVWHVBRM-SNVBAGLBSA-N 1 2 206.293 1.621 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1Cc1ccncc1 ZINC000276831414 386379927 /nfs/dbraw/zinc/37/99/27/386379927.db2.gz RDQMJPVZRUHTHG-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1ccncc1 ZINC000276831414 386379932 /nfs/dbraw/zinc/37/99/32/386379932.db2.gz RDQMJPVZRUHTHG-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO CC(C)c1nc(N(C)[C@H]2CCOC2)cc[nH+]1 ZINC000112966927 386380936 /nfs/dbraw/zinc/38/09/36/386380936.db2.gz YSZLRANCQAZSEB-JTQLQIEISA-N 1 2 221.304 1.825 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1Cc1ccn(C)c1 ZINC000276838075 386381198 /nfs/dbraw/zinc/38/11/98/386381198.db2.gz SAAPOHMLWKAFAF-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1ccn(C)c1 ZINC000276838075 386381202 /nfs/dbraw/zinc/38/12/02/386381202.db2.gz SAAPOHMLWKAFAF-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H](CNC(=O)C[C@H]1C=CCC1)Cn1cc[nH+]c1 ZINC000265866591 386382453 /nfs/dbraw/zinc/38/24/53/386382453.db2.gz XXAWLIGDCZUUHR-STQMWFEESA-N 1 2 247.342 1.992 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nnc(C)s1 ZINC000339287079 386339511 /nfs/dbraw/zinc/33/95/11/386339511.db2.gz YKDQBYWBKSZMMU-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nnc(C)s1 ZINC000339287079 386339513 /nfs/dbraw/zinc/33/95/13/386339513.db2.gz YKDQBYWBKSZMMU-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1cn[nH]c1C[N@H+](CCO)Cc1ccccc1 ZINC000290479813 386441686 /nfs/dbraw/zinc/44/16/86/386441686.db2.gz QVSKTPFZZIJPJA-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](CCO)Cc1ccccc1 ZINC000290479813 386441693 /nfs/dbraw/zinc/44/16/93/386441693.db2.gz QVSKTPFZZIJPJA-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1c[nH]nc1C[N@H+](CCO)Cc1ccccc1 ZINC000290479813 386441699 /nfs/dbraw/zinc/44/16/99/386441699.db2.gz QVSKTPFZZIJPJA-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](CCO)Cc1ccccc1 ZINC000290479813 386441704 /nfs/dbraw/zinc/44/17/04/386441704.db2.gz QVSKTPFZZIJPJA-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO CCCc1noc(C[N@H+](CC)[C@H]2CCOC2)n1 ZINC000336718934 386445808 /nfs/dbraw/zinc/44/58/08/386445808.db2.gz RKWPJFHSLNXHHA-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@@H+](CC)[C@H]2CCOC2)n1 ZINC000336718934 386445813 /nfs/dbraw/zinc/44/58/13/386445813.db2.gz RKWPJFHSLNXHHA-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccoc2)nn1C ZINC000336700066 386387938 /nfs/dbraw/zinc/38/79/38/386387938.db2.gz KFVHOKROGFVQBH-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccoc2)nn1C ZINC000336700066 386387941 /nfs/dbraw/zinc/38/79/41/386387941.db2.gz KFVHOKROGFVQBH-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CC(C)(C)C(=O)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266010183 386388708 /nfs/dbraw/zinc/38/87/08/386388708.db2.gz ASJHPDFDBUUOFS-UHFFFAOYSA-N 1 2 245.282 1.888 20 0 BDADLO C[C@@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)C1CC1 ZINC000298824888 386389579 /nfs/dbraw/zinc/38/95/79/386389579.db2.gz GXJCQSACMOQILG-DTWKUNHWSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](Nc1cc(NC[C@H](C)O)nc[nH+]1)C1CC1 ZINC000298824888 386389588 /nfs/dbraw/zinc/38/95/88/386389588.db2.gz GXJCQSACMOQILG-DTWKUNHWSA-N 1 2 236.319 1.480 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC23CCC3)n1 ZINC000336704723 386391910 /nfs/dbraw/zinc/39/19/10/386391910.db2.gz NNHRHOORZXGXSE-UHFFFAOYSA-N 1 2 233.315 1.873 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2CCC23CCC3)n1 ZINC000336704723 386391922 /nfs/dbraw/zinc/39/19/22/386391922.db2.gz NNHRHOORZXGXSE-UHFFFAOYSA-N 1 2 233.315 1.873 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000336704083 386393520 /nfs/dbraw/zinc/39/35/20/386393520.db2.gz PEDQCPPDEAXUCU-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000336704083 386393523 /nfs/dbraw/zinc/39/35/23/386393523.db2.gz PEDQCPPDEAXUCU-MNOVXSKESA-N 1 2 221.304 1.394 20 0 BDADLO CC[C@H]([NH2+]CCSC(C)C)C(=O)OC ZINC000308483364 386397914 /nfs/dbraw/zinc/39/79/14/386397914.db2.gz NVEJEKLUSWDYJD-VIFPVBQESA-N 1 2 219.350 1.669 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cncs1 ZINC000298933593 386400524 /nfs/dbraw/zinc/40/05/24/386400524.db2.gz AURAKVIGCKKSGN-QMMMGPOBSA-N 1 2 236.300 1.158 20 0 BDADLO CSCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000298977173 386402451 /nfs/dbraw/zinc/40/24/51/386402451.db2.gz MYIYXKFJXCCXQC-UHFFFAOYSA-N 1 2 249.339 1.622 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000299086288 386411274 /nfs/dbraw/zinc/41/12/74/386411274.db2.gz KAGGJFKRJJLVEW-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000299086288 386411279 /nfs/dbraw/zinc/41/12/79/386411279.db2.gz KAGGJFKRJJLVEW-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO c1cc(C[NH2+][C@H]2[C@H]3Cc4ccccc4[C@H]32)[nH]n1 ZINC000290313693 386420027 /nfs/dbraw/zinc/42/00/27/386420027.db2.gz CIDMHWXGZUTPLM-MJBXVCDLSA-N 1 2 225.295 1.838 20 0 BDADLO Cc1ccn2cc(CNC(=O)C(C)(C)O)[nH+]c2c1 ZINC000277245370 386421347 /nfs/dbraw/zinc/42/13/47/386421347.db2.gz YVQZEKZVXSDTTB-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO O=C1NCCCC[C@@H]1[N@@H+]1CCC=C(F)C1 ZINC000299185293 386425498 /nfs/dbraw/zinc/42/54/98/386425498.db2.gz AHNSMWLTHNYXIM-JTQLQIEISA-N 1 2 212.268 1.214 20 0 BDADLO O=C1NCCCC[C@@H]1[N@H+]1CCC=C(F)C1 ZINC000299185293 386425504 /nfs/dbraw/zinc/42/55/04/386425504.db2.gz AHNSMWLTHNYXIM-JTQLQIEISA-N 1 2 212.268 1.214 20 0 BDADLO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000237949295 386425661 /nfs/dbraw/zinc/42/56/61/386425661.db2.gz XFJKNZODWMZZOW-HTQZYQBOSA-N 1 2 245.286 1.024 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336713726 386431003 /nfs/dbraw/zinc/43/10/03/386431003.db2.gz QDHFUNNORFINDW-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336713726 386431009 /nfs/dbraw/zinc/43/10/09/386431009.db2.gz QDHFUNNORFINDW-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)nn1 ZINC000414432196 386434504 /nfs/dbraw/zinc/43/45/04/386434504.db2.gz ISOQZNLLNOAPCL-SDDRHHMPSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)nn1 ZINC000414432196 386434509 /nfs/dbraw/zinc/43/45/09/386434509.db2.gz ISOQZNLLNOAPCL-SDDRHHMPSA-N 1 2 235.331 1.783 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000343221555 386435502 /nfs/dbraw/zinc/43/55/02/386435502.db2.gz DGYHTCANRKLJNU-LLVKDONJSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnoc2C)s1 ZINC000336777832 386435892 /nfs/dbraw/zinc/43/58/92/386435892.db2.gz JQTMKPWKZYYVDL-LURJTMIESA-N 1 2 238.316 1.994 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)CC[C@H](C)O ZINC000266780767 386466568 /nfs/dbraw/zinc/46/65/68/386466568.db2.gz ZRNDLWGTCVXUFS-NSHDSACASA-N 1 2 225.336 1.667 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)CC[C@H](C)O ZINC000266780767 386466573 /nfs/dbraw/zinc/46/65/73/386466573.db2.gz ZRNDLWGTCVXUFS-NSHDSACASA-N 1 2 225.336 1.667 20 0 BDADLO CO[C@H](C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290689381 386467893 /nfs/dbraw/zinc/46/78/93/386467893.db2.gz MNCQYMOKCKADNW-SECBINFHSA-N 1 2 248.286 1.491 20 0 BDADLO CC1(C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000299566873 386468015 /nfs/dbraw/zinc/46/80/15/386468015.db2.gz AZBOKZZNCUVMNZ-SECBINFHSA-N 1 2 207.277 1.188 20 0 BDADLO CC(C)c1nnc(N2CCn3c[nH+]cc3C2)s1 ZINC000290752360 386470449 /nfs/dbraw/zinc/47/04/49/386470449.db2.gz SQYAXIVMRVYMGM-UHFFFAOYSA-N 1 2 249.343 1.878 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339572459 386470716 /nfs/dbraw/zinc/47/07/16/386470716.db2.gz VVEGLZVWQGQWPT-QWRGUYRKSA-N 1 2 222.336 1.774 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339572459 386470721 /nfs/dbraw/zinc/47/07/21/386470721.db2.gz VVEGLZVWQGQWPT-QWRGUYRKSA-N 1 2 222.336 1.774 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)C(C)(C)C ZINC000266792277 386471356 /nfs/dbraw/zinc/47/13/56/386471356.db2.gz CRUFFCPYOBXDPH-SECBINFHSA-N 1 2 237.303 1.003 20 0 BDADLO COCCc1noc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339574751 386472129 /nfs/dbraw/zinc/47/21/29/386472129.db2.gz RRQZFYRSCRGBOT-RKDXNWHRSA-N 1 2 225.292 1.099 20 0 BDADLO COCCc1noc(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339574751 386472132 /nfs/dbraw/zinc/47/21/32/386472132.db2.gz RRQZFYRSCRGBOT-RKDXNWHRSA-N 1 2 225.292 1.099 20 0 BDADLO Cc1ccsc1CNC(=O)CCn1cc[nH+]c1 ZINC000299684742 386481391 /nfs/dbraw/zinc/48/13/91/386481391.db2.gz UMWQCAOUZCUZJD-UHFFFAOYSA-N 1 2 249.339 1.960 20 0 BDADLO Cc1ncsc1CCNc1cc(C)[nH+]cn1 ZINC000391225155 386492457 /nfs/dbraw/zinc/49/24/57/386492457.db2.gz ZHKJNVJFNISLFW-UHFFFAOYSA-N 1 2 234.328 1.626 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290971621 386493987 /nfs/dbraw/zinc/49/39/87/386493987.db2.gz TWTGEAHZDVYRIW-SECBINFHSA-N 1 2 219.288 1.271 20 0 BDADLO O=C(c1ccoc1)N1CCn2c[nH+]cc2C1 ZINC000290973611 386494575 /nfs/dbraw/zinc/49/45/75/386494575.db2.gz UGEKEBIOLXICLG-UHFFFAOYSA-N 1 2 217.228 1.132 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3csnn3)C2)c1 ZINC000290988906 386497130 /nfs/dbraw/zinc/49/71/30/386497130.db2.gz UXPDEUZCFRGWHV-LLVKDONJSA-N 1 2 249.343 1.490 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3csnn3)C2)c1 ZINC000290988906 386497133 /nfs/dbraw/zinc/49/71/33/386497133.db2.gz UXPDEUZCFRGWHV-LLVKDONJSA-N 1 2 249.343 1.490 20 0 BDADLO CO[C@H](C)CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000291009958 386499255 /nfs/dbraw/zinc/49/92/55/386499255.db2.gz ZWVFMBNOEWBTGB-SNVBAGLBSA-N 1 2 237.303 1.040 20 0 BDADLO Cn1ncc2c1nc(N[C@H]1CC=CCC1)[nH+]c2N ZINC000278211697 386500550 /nfs/dbraw/zinc/50/05/50/386500550.db2.gz FRLPIFINLIPJIK-QMMMGPOBSA-N 1 2 244.302 1.466 20 0 BDADLO C[C@H](CNC(=O)[C@H](C)C1CC1)Cn1cc[nH+]c1 ZINC000267193559 386506029 /nfs/dbraw/zinc/50/60/29/386506029.db2.gz ZERFLXXIYJWNHD-GHMZBOCLSA-N 1 2 235.331 1.682 20 0 BDADLO CSCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000267194016 386507205 /nfs/dbraw/zinc/50/72/05/386507205.db2.gz KNRDZKWVSSWSHC-UHFFFAOYSA-N 1 2 241.360 1.868 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000336783737 386507746 /nfs/dbraw/zinc/50/77/46/386507746.db2.gz BXRVONXVPFXEAH-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000336783737 386507751 /nfs/dbraw/zinc/50/77/51/386507751.db2.gz BXRVONXVPFXEAH-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339676348 386515742 /nfs/dbraw/zinc/51/57/42/386515742.db2.gz JBARHJSZRCOFOW-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO Cn1ncc(Br)c1C[N@H+](C)C1CC1 ZINC000278361327 386517930 /nfs/dbraw/zinc/51/79/30/386517930.db2.gz AVLPNWAELCXCMC-UHFFFAOYSA-N 1 2 244.136 1.777 20 0 BDADLO Cn1ncc(Br)c1C[N@@H+](C)C1CC1 ZINC000278361327 386517933 /nfs/dbraw/zinc/51/79/33/386517933.db2.gz AVLPNWAELCXCMC-UHFFFAOYSA-N 1 2 244.136 1.777 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC1CCC1 ZINC000267332025 386530635 /nfs/dbraw/zinc/53/06/35/386530635.db2.gz MCLDTUBSBKXJRC-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1ccncc1C)C2 ZINC000528396452 386520224 /nfs/dbraw/zinc/52/02/24/386520224.db2.gz GYOVWBPBDMGQAI-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccncc1C)C2 ZINC000528396452 386520228 /nfs/dbraw/zinc/52/02/28/386520228.db2.gz GYOVWBPBDMGQAI-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1c(Cl)cnn1C ZINC000187314774 386521657 /nfs/dbraw/zinc/52/16/57/386521657.db2.gz FNAXXFIXURPVQG-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000187314774 386521664 /nfs/dbraw/zinc/52/16/64/386521664.db2.gz FNAXXFIXURPVQG-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO Cc1nsc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000336754747 386522891 /nfs/dbraw/zinc/52/28/91/386522891.db2.gz XEEOYSRHNGXZQT-XVKPBYJWSA-N 1 2 238.360 1.163 20 0 BDADLO Cc1nsc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000336754747 386522899 /nfs/dbraw/zinc/52/28/99/386522899.db2.gz XEEOYSRHNGXZQT-XVKPBYJWSA-N 1 2 238.360 1.163 20 0 BDADLO COC[C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000277659162 386454581 /nfs/dbraw/zinc/45/45/81/386454581.db2.gz OWSBQXSNUPOULH-ZJUUUORDSA-N 1 2 239.319 1.506 20 0 BDADLO CO[C@H](C)C[N@H+](Cc1csnn1)C(C)C ZINC000336720248 386454602 /nfs/dbraw/zinc/45/46/02/386454602.db2.gz ZQYATBKPQKQUAQ-SECBINFHSA-N 1 2 229.349 1.783 20 0 BDADLO CO[C@H](C)C[N@@H+](Cc1csnn1)C(C)C ZINC000336720248 386454607 /nfs/dbraw/zinc/45/46/07/386454607.db2.gz ZQYATBKPQKQUAQ-SECBINFHSA-N 1 2 229.349 1.783 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](C)[C@H]2CCCO2)no1 ZINC000183136035 386457230 /nfs/dbraw/zinc/45/72/30/386457230.db2.gz JKHQECISEOIKCL-VHSXEESVSA-N 1 2 239.319 1.850 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000299511203 386462222 /nfs/dbraw/zinc/46/22/22/386462222.db2.gz TZBQUCNMIKTJDH-KCJUWKMLSA-N 1 2 236.271 1.454 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C)(C)C[C@H](C)O)c[nH+]1 ZINC000266735869 386464775 /nfs/dbraw/zinc/46/47/75/386464775.db2.gz LLUCKOYSIAEDTI-QMMMGPOBSA-N 1 2 239.319 1.245 20 0 BDADLO CC(C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000299540156 386466001 /nfs/dbraw/zinc/46/60/01/386466001.db2.gz AVBYELQFGGGIRD-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO COCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187681461 386574471 /nfs/dbraw/zinc/57/44/71/386574471.db2.gz FDULTJXHBMKMSL-GFCCVEGCSA-N 1 2 249.289 1.874 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000267766538 386580732 /nfs/dbraw/zinc/58/07/32/386580732.db2.gz SGEATFUARYCXFI-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ncn1 ZINC000291923875 386598591 /nfs/dbraw/zinc/59/85/91/386598591.db2.gz ACIRCHNLKTXDMH-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ncn1 ZINC000291923875 386598597 /nfs/dbraw/zinc/59/85/97/386598597.db2.gz ACIRCHNLKTXDMH-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000291821339 386587290 /nfs/dbraw/zinc/58/72/90/386587290.db2.gz SDXJKJKORRDROK-YRFDSLTASA-N 1 2 233.193 1.490 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)C[C@@H](C)OC ZINC000353224615 386532267 /nfs/dbraw/zinc/53/22/67/386532267.db2.gz YYLUIPOWVHWRMQ-SNVBAGLBSA-N 1 2 240.351 1.463 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)C[C@@H](C)OC ZINC000353224615 386532272 /nfs/dbraw/zinc/53/22/72/386532272.db2.gz YYLUIPOWVHWRMQ-SNVBAGLBSA-N 1 2 240.351 1.463 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)C(=O)N1CCCCC1 ZINC000135700299 386535993 /nfs/dbraw/zinc/53/59/93/386535993.db2.gz WBLIQPZABUMUBQ-NSHDSACASA-N 1 2 233.315 1.895 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)C[C@@H](C)O ZINC000291369537 386536272 /nfs/dbraw/zinc/53/62/72/386536272.db2.gz ZSTCMPMMXMQIGS-SCZZXKLOSA-N 1 2 243.328 1.275 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)C[C@@H](C)O ZINC000291369537 386536275 /nfs/dbraw/zinc/53/62/75/386536275.db2.gz ZSTCMPMMXMQIGS-SCZZXKLOSA-N 1 2 243.328 1.275 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(F)cc2C)C1 ZINC000291386234 386539698 /nfs/dbraw/zinc/53/96/98/386539698.db2.gz BVUOUXOOFULQHE-UHFFFAOYSA-N 1 2 236.290 1.454 20 0 BDADLO CCN(CC(C)C)C(=O)Cc1[nH]c[nH+]c1C ZINC000278536127 386542956 /nfs/dbraw/zinc/54/29/56/386542956.db2.gz FMBGYJMQIAWVJM-UHFFFAOYSA-N 1 2 223.320 1.765 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]CCF)nn1 ZINC000308520804 386545782 /nfs/dbraw/zinc/54/57/82/386545782.db2.gz HOCXYNJURUAHMP-UHFFFAOYSA-N 1 2 200.261 1.092 20 0 BDADLO CC(C)[C@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000291428615 386546467 /nfs/dbraw/zinc/54/64/67/386546467.db2.gz HMSRNFIQIJGYPF-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO COCc1cc(C[N@@H+]2CCCSCC2)no1 ZINC000291504254 386550733 /nfs/dbraw/zinc/55/07/33/386550733.db2.gz VWYTUNPFKYCHSW-UHFFFAOYSA-N 1 2 242.344 1.760 20 0 BDADLO COCc1cc(C[N@H+]2CCCSCC2)no1 ZINC000291504254 386550742 /nfs/dbraw/zinc/55/07/42/386550742.db2.gz VWYTUNPFKYCHSW-UHFFFAOYSA-N 1 2 242.344 1.760 20 0 BDADLO Cn1c2c(cccc2F)[nH]c1=[NH+][C@@H]1CCOC1 ZINC000336930587 386553208 /nfs/dbraw/zinc/55/32/08/386553208.db2.gz PHRGMDCVJCODLN-MRVPVSSYSA-N 1 2 235.262 1.335 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCCCC1 ZINC000278640578 386558113 /nfs/dbraw/zinc/55/81/13/386558113.db2.gz NWDUGLHEHDCWKW-UHFFFAOYSA-N 1 2 221.304 1.663 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C)cc1 ZINC000278657438 386560554 /nfs/dbraw/zinc/56/05/54/386560554.db2.gz PCBFMWOJEOUEPT-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C)cc1 ZINC000278657438 386560563 /nfs/dbraw/zinc/56/05/63/386560563.db2.gz PCBFMWOJEOUEPT-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CC(C)(C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000267613226 386562696 /nfs/dbraw/zinc/56/26/96/386562696.db2.gz VCTPKTHMIRLLMZ-UHFFFAOYSA-N 1 2 246.314 1.932 20 0 BDADLO COc1cccc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC000335406878 386566715 /nfs/dbraw/zinc/56/67/15/386566715.db2.gz QKINKFDEIXGDNE-VIFPVBQESA-N 1 2 210.252 1.634 20 0 BDADLO COc1cccc(C[N@H+]2CC[C@H](F)C2)n1 ZINC000335406878 386566721 /nfs/dbraw/zinc/56/67/21/386566721.db2.gz QKINKFDEIXGDNE-VIFPVBQESA-N 1 2 210.252 1.634 20 0 BDADLO Cc1oncc1C[NH2+][C@H](C)c1ccon1 ZINC000336756719 386570603 /nfs/dbraw/zinc/57/06/03/386570603.db2.gz JPRONTVTAIGPPM-SSDOTTSWSA-N 1 2 207.233 1.822 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)on1 ZINC000335409221 386571148 /nfs/dbraw/zinc/57/11/48/386571148.db2.gz QUULUSUHEQQZSV-LLVKDONJSA-N 1 2 240.328 1.383 20 0 BDADLO c1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)on1 ZINC000335409221 386571152 /nfs/dbraw/zinc/57/11/52/386571152.db2.gz QUULUSUHEQQZSV-LLVKDONJSA-N 1 2 240.328 1.383 20 0 BDADLO c1c[nH+]c(CN2CCO[C@@]3(CCSC3)C2)[nH]1 ZINC000335410689 386572805 /nfs/dbraw/zinc/57/28/05/386572805.db2.gz ROXZPYJTKPHQHR-NSHDSACASA-N 1 2 239.344 1.118 20 0 BDADLO CC[C@H](NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000336646353 386620458 /nfs/dbraw/zinc/62/04/58/386620458.db2.gz CSJVDXYTLPIZIQ-LURJTMIESA-N 1 2 207.199 1.840 20 0 BDADLO COC[C@H]([NH2+]Cc1ncc(C)o1)[C@H]1CCCO1 ZINC000279019745 386622432 /nfs/dbraw/zinc/62/24/32/386622432.db2.gz GNHGFCXPUIXIJX-WDEREUQCSA-N 1 2 240.303 1.267 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)C[C@@H]1F ZINC000335499574 386626098 /nfs/dbraw/zinc/62/60/98/386626098.db2.gz JSMFJZALAYRODT-GXSJLCMTSA-N 1 2 208.236 1.499 20 0 BDADLO CCc1cc(N)nc(SCCn2cc[nH+]c2)n1 ZINC000279075833 386627015 /nfs/dbraw/zinc/62/70/15/386627015.db2.gz KYLQMNUYKUENCK-UHFFFAOYSA-N 1 2 249.343 1.610 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccon1 ZINC000336782349 386634086 /nfs/dbraw/zinc/63/40/86/386634086.db2.gz XIUTUMKRBKNJQK-SECBINFHSA-N 1 2 225.292 1.194 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000279108950 386634931 /nfs/dbraw/zinc/63/49/31/386634931.db2.gz BRWDWPMMKVWINQ-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO CCc1cc(NCc2c[nH+]cn2C)n(C)n1 ZINC000119607438 386636930 /nfs/dbraw/zinc/63/69/30/386636930.db2.gz FFGOXPHCALUCIW-UHFFFAOYSA-N 1 2 219.292 1.328 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCOC2CCC2)no1 ZINC000329241665 386642121 /nfs/dbraw/zinc/64/21/21/386642121.db2.gz RWENSCMJTGRKIZ-UHFFFAOYSA-N 1 2 239.319 1.772 20 0 BDADLO COC(=O)[C@]1([NH2+]C[C@H](C)CC(C)C)CCOC1 ZINC000337198669 386648172 /nfs/dbraw/zinc/64/81/72/386648172.db2.gz ZVSNGFKNTFIDER-YPMHNXCESA-N 1 2 243.347 1.590 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000414472218 386652933 /nfs/dbraw/zinc/65/29/33/386652933.db2.gz RDFHJFWCXAEQTH-SNVBAGLBSA-N 1 2 228.267 1.407 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](CF)C1 ZINC000414472218 386652940 /nfs/dbraw/zinc/65/29/40/386652940.db2.gz RDFHJFWCXAEQTH-SNVBAGLBSA-N 1 2 228.267 1.407 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCC1 ZINC000292343843 386653119 /nfs/dbraw/zinc/65/31/19/386653119.db2.gz PKLWHVIYTOJREJ-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000292343843 386653129 /nfs/dbraw/zinc/65/31/29/386653129.db2.gz PKLWHVIYTOJREJ-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000106936806 386654076 /nfs/dbraw/zinc/65/40/76/386654076.db2.gz QJICEUAFXINGRI-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000106936806 386654079 /nfs/dbraw/zinc/65/40/79/386654079.db2.gz QJICEUAFXINGRI-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[C@@H]1C ZINC000278901112 386603471 /nfs/dbraw/zinc/60/34/71/386603471.db2.gz PRVYWAKYNYDSEL-CBAPKCEASA-N 1 2 207.277 1.033 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000644994804 386660352 /nfs/dbraw/zinc/66/03/52/386660352.db2.gz QWPVVQSBRNIJMU-RKDXNWHRSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000644994804 386660354 /nfs/dbraw/zinc/66/03/54/386660354.db2.gz QWPVVQSBRNIJMU-RKDXNWHRSA-N 1 2 241.253 1.266 20 0 BDADLO Cn1ccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000268558033 386662676 /nfs/dbraw/zinc/66/26/76/386662676.db2.gz DNSVOIDZUFCWFI-UHFFFAOYSA-N 1 2 232.287 1.042 20 0 BDADLO Cc1nnc(N(C)Cc2[nH]cc[nH+]2)s1 ZINC000428125996 386664179 /nfs/dbraw/zinc/66/41/79/386664179.db2.gz QDYGYPHXPQREKN-UHFFFAOYSA-N 1 2 209.278 1.206 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229575372 386668989 /nfs/dbraw/zinc/66/89/89/386668989.db2.gz OZEGHCSUXDJTKJ-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229575372 386668995 /nfs/dbraw/zinc/66/89/95/386668995.db2.gz OZEGHCSUXDJTKJ-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000520416491 386670431 /nfs/dbraw/zinc/67/04/31/386670431.db2.gz GGKGUZUOBOLIEM-RKDXNWHRSA-N 1 2 221.304 1.807 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000520426517 386673344 /nfs/dbraw/zinc/67/33/44/386673344.db2.gz KWBPPRJHLLPLCF-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000520426517 386673350 /nfs/dbraw/zinc/67/33/50/386673350.db2.gz KWBPPRJHLLPLCF-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)Cc1ccnn1C ZINC000335528762 386676057 /nfs/dbraw/zinc/67/60/57/386676057.db2.gz QOVYZHPAAFLGHE-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO CCCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454187817 386677233 /nfs/dbraw/zinc/67/72/33/386677233.db2.gz MXSMQWQULPPHEP-ZJUUUORDSA-N 1 2 236.319 1.988 20 0 BDADLO CC[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301814362 386678714 /nfs/dbraw/zinc/67/87/14/386678714.db2.gz IGZFWIPTMWOXHH-MRVPVSSYSA-N 1 2 232.287 1.395 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)Cc1cnn(C)c1 ZINC000335531492 386679841 /nfs/dbraw/zinc/67/98/41/386679841.db2.gz QGGOAHKUUUQYTF-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO CN1C[C@@H]2CCC[N@H+](Cc3ccco3)[C@@H]2C1 ZINC000335531543 386680578 /nfs/dbraw/zinc/68/05/78/386680578.db2.gz SCBLUVWZLSFDPJ-WCQYABFASA-N 1 2 220.316 1.806 20 0 BDADLO CN1C[C@@H]2CCC[N@@H+](Cc3ccco3)[C@@H]2C1 ZINC000335531543 386680581 /nfs/dbraw/zinc/68/05/81/386680581.db2.gz SCBLUVWZLSFDPJ-WCQYABFASA-N 1 2 220.316 1.806 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ncc[nH]1 ZINC000124697617 386680754 /nfs/dbraw/zinc/68/07/54/386680754.db2.gz JVAZAECWOYXYDM-DTWKUNHWSA-N 1 2 219.292 1.555 20 0 BDADLO CO[C@H](C)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000526957827 386709362 /nfs/dbraw/zinc/70/93/62/386709362.db2.gz URULKUMSCRRPID-SNVBAGLBSA-N 1 2 237.303 1.277 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)C(=O)OC ZINC000192854463 386686144 /nfs/dbraw/zinc/68/61/44/386686144.db2.gz FJLXPUMZPUWMDI-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO CCC[C@](C)([NH2+]CCOCC(C)C)C(=O)OC ZINC000337258983 386690969 /nfs/dbraw/zinc/69/09/69/386690969.db2.gz VNUKIWUOMDYQMG-ZDUSSCGKSA-N 1 2 245.363 1.980 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]CC1=CCCOC1 ZINC000414483332 386693929 /nfs/dbraw/zinc/69/39/29/386693929.db2.gz FDVWHSVMMLOLKH-LBPRGKRZSA-N 1 2 239.315 1.264 20 0 BDADLO CCC(=O)N1CC[N@H+](Cc2ccccc2)C1 ZINC000335483657 386711942 /nfs/dbraw/zinc/71/19/42/386711942.db2.gz IWHHKQRDBZODJX-UHFFFAOYSA-N 1 2 218.300 1.698 20 0 BDADLO CCC(=O)N1CC[N@@H+](Cc2ccccc2)C1 ZINC000335483657 386711948 /nfs/dbraw/zinc/71/19/48/386711948.db2.gz IWHHKQRDBZODJX-UHFFFAOYSA-N 1 2 218.300 1.698 20 0 BDADLO CN(C)c1noc(COc2cc[nH+]cc2)n1 ZINC000292595947 386696370 /nfs/dbraw/zinc/69/63/70/386696370.db2.gz BRAKTLGLIGPGRO-UHFFFAOYSA-N 1 2 220.232 1.110 20 0 BDADLO CC[C@H]([NH2+]CCCC(=O)OC(C)C)C(=O)OC ZINC000192864783 386703072 /nfs/dbraw/zinc/70/30/72/386703072.db2.gz XIJQGKOMXGKQDB-JTQLQIEISA-N 1 2 245.319 1.259 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCC(C)(C)C1 ZINC000527025808 386733003 /nfs/dbraw/zinc/73/30/03/386733003.db2.gz PIQKSCGPAGZXBR-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1nccs1 ZINC000302907234 386736037 /nfs/dbraw/zinc/73/60/37/386736037.db2.gz HFXYTLALWGAXJY-BDAKNGLRSA-N 1 2 241.360 1.536 20 0 BDADLO Cc1noc(C[N@H+](C)CCOc2ccccc2)n1 ZINC000247995917 386739127 /nfs/dbraw/zinc/73/91/27/386739127.db2.gz ADJZTUXOJGZLOU-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOc2ccccc2)n1 ZINC000247995917 386739136 /nfs/dbraw/zinc/73/91/36/386739136.db2.gz ADJZTUXOJGZLOU-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc[nH]2)n(C)n1 ZINC000417785381 386720610 /nfs/dbraw/zinc/72/06/10/386720610.db2.gz PNWKCTJFIOFEOC-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc[nH]2)n(C)n1 ZINC000417785381 386720621 /nfs/dbraw/zinc/72/06/21/386720621.db2.gz PNWKCTJFIOFEOC-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000335541757 386723172 /nfs/dbraw/zinc/72/31/72/386723172.db2.gz CKNGHLOLWXJPFG-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000335541757 386723179 /nfs/dbraw/zinc/72/31/79/386723179.db2.gz CKNGHLOLWXJPFG-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000268946205 386725264 /nfs/dbraw/zinc/72/52/64/386725264.db2.gz BIXLHPXCWGLSGT-STQMWFEESA-N 1 2 242.326 1.803 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000268946205 386725274 /nfs/dbraw/zinc/72/52/74/386725274.db2.gz BIXLHPXCWGLSGT-STQMWFEESA-N 1 2 242.326 1.803 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000268967846 386728703 /nfs/dbraw/zinc/72/87/03/386728703.db2.gz LMYBPVVQEFIGNO-RYUDHWBXSA-N 1 2 219.284 1.647 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000268967846 386728708 /nfs/dbraw/zinc/72/87/08/386728708.db2.gz LMYBPVVQEFIGNO-RYUDHWBXSA-N 1 2 219.284 1.647 20 0 BDADLO CC[C@H](O)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000292806407 386730289 /nfs/dbraw/zinc/73/02/89/386730289.db2.gz RUOBMPFNGFOIEF-JTQLQIEISA-N 1 2 237.303 1.591 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2=CCC2)C1 ZINC000334146817 386744805 /nfs/dbraw/zinc/74/48/05/386744805.db2.gz CRBNMXSFAHJJCH-NSHDSACASA-N 1 2 231.299 1.456 20 0 BDADLO C[C@@H](O)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292898219 386746117 /nfs/dbraw/zinc/74/61/17/386746117.db2.gz AGAPXCVBVOSRRD-LLVKDONJSA-N 1 2 243.310 1.569 20 0 BDADLO C[C@@H](O)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292898219 386746122 /nfs/dbraw/zinc/74/61/22/386746122.db2.gz AGAPXCVBVOSRRD-LLVKDONJSA-N 1 2 243.310 1.569 20 0 BDADLO CCc1nnc(C[N@H+]2CC(C)=C[C@H](C)C2)[nH]1 ZINC000335539915 386747036 /nfs/dbraw/zinc/74/70/36/386747036.db2.gz ZLRRUMQBDNHXRG-VIFPVBQESA-N 1 2 220.320 1.765 20 0 BDADLO CCc1nnc(C[N@@H+]2CC(C)=C[C@H](C)C2)[nH]1 ZINC000335539915 386747043 /nfs/dbraw/zinc/74/70/43/386747043.db2.gz ZLRRUMQBDNHXRG-VIFPVBQESA-N 1 2 220.320 1.765 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)nn2)CCS1 ZINC000335539930 386747341 /nfs/dbraw/zinc/74/73/41/386747341.db2.gz KXJDSMHQSAOZAW-JTQLQIEISA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)nn2)CCS1 ZINC000335539930 386747344 /nfs/dbraw/zinc/74/73/44/386747344.db2.gz KXJDSMHQSAOZAW-JTQLQIEISA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334151260 386748581 /nfs/dbraw/zinc/74/85/81/386748581.db2.gz QFWWVHDNFPLYGS-RKDXNWHRSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334151260 386748586 /nfs/dbraw/zinc/74/85/86/386748586.db2.gz QFWWVHDNFPLYGS-RKDXNWHRSA-N 1 2 221.304 1.429 20 0 BDADLO c1nc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c[nH]1 ZINC000334153001 386751857 /nfs/dbraw/zinc/75/18/57/386751857.db2.gz NEIMBGPUCMRMPN-OLZOCXBDSA-N 1 2 247.342 1.943 20 0 BDADLO c1nc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c[nH]1 ZINC000334153001 386751864 /nfs/dbraw/zinc/75/18/64/386751864.db2.gz NEIMBGPUCMRMPN-OLZOCXBDSA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)[nH]1 ZINC000334153001 386751868 /nfs/dbraw/zinc/75/18/68/386751868.db2.gz NEIMBGPUCMRMPN-OLZOCXBDSA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)[nH]1 ZINC000334153001 386751876 /nfs/dbraw/zinc/75/18/76/386751876.db2.gz NEIMBGPUCMRMPN-OLZOCXBDSA-N 1 2 247.342 1.943 20 0 BDADLO Cc1cc(N[C@@H](C(N)=O)C(C)C)nc(C2CC2)[nH+]1 ZINC000269133927 386754096 /nfs/dbraw/zinc/75/40/96/386754096.db2.gz ICAINYDIXZNZNQ-LLVKDONJSA-N 1 2 248.330 1.584 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCNC1=O)c1c(F)cccc1F ZINC000269242744 386766725 /nfs/dbraw/zinc/76/67/25/386766725.db2.gz CDDAPFCIHBIECT-OIBJUYFYSA-N 1 2 240.253 1.504 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)[C@H]1C ZINC000335538885 386744058 /nfs/dbraw/zinc/74/40/58/386744058.db2.gz OOKLZVDSAIDVHF-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)[C@H]1C ZINC000335538885 386744065 /nfs/dbraw/zinc/74/40/65/386744065.db2.gz OOKLZVDSAIDVHF-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@H](C)c2cnn(C)c2)[nH]1 ZINC000293213301 386790405 /nfs/dbraw/zinc/79/04/05/386790405.db2.gz POZYVGBXAYLVGZ-SECBINFHSA-N 1 2 248.334 1.512 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cnccc1C ZINC000269436698 386792250 /nfs/dbraw/zinc/79/22/50/386792250.db2.gz RIUZHYZCXCNHCJ-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cnccc1C ZINC000269436698 386792258 /nfs/dbraw/zinc/79/22/58/386792258.db2.gz RIUZHYZCXCNHCJ-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CO[C@H]1C[C@@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000300386222 386793132 /nfs/dbraw/zinc/79/31/32/386793132.db2.gz LFXPKALLFMPSRG-BDAKNGLRSA-N 1 2 225.292 1.281 20 0 BDADLO FC[C@@H]1CCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000293253591 386793782 /nfs/dbraw/zinc/79/37/82/386793782.db2.gz ZMXDDURTYNJJEU-NSHDSACASA-N 1 2 234.278 1.663 20 0 BDADLO FC[C@@H]1CCC[N@H+]1Cc1cn2cccnc2n1 ZINC000293253591 386793790 /nfs/dbraw/zinc/79/37/90/386793790.db2.gz ZMXDDURTYNJJEU-NSHDSACASA-N 1 2 234.278 1.663 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2c[nH]cn2)C[C@H]1C ZINC000280248226 386793988 /nfs/dbraw/zinc/79/39/88/386793988.db2.gz OFNYZTHQEPSLFA-KOLCDFICSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2c[nH]cn2)C[C@H]1C ZINC000280248226 386793995 /nfs/dbraw/zinc/79/39/95/386793995.db2.gz OFNYZTHQEPSLFA-KOLCDFICSA-N 1 2 237.303 1.041 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340879304 386795074 /nfs/dbraw/zinc/79/50/74/386795074.db2.gz UEFAPOGPBPBSEC-SNVBAGLBSA-N 1 2 247.302 1.186 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340879304 386795078 /nfs/dbraw/zinc/79/50/78/386795078.db2.gz UEFAPOGPBPBSEC-SNVBAGLBSA-N 1 2 247.302 1.186 20 0 BDADLO CCC[C@@H]([NH2+][C@H](CC)COC)C(=O)OC ZINC000336761657 386796918 /nfs/dbraw/zinc/79/69/18/386796918.db2.gz MXUNJDNKJXDFJR-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](CCO)c2ccccc2)[nH]1 ZINC000293277570 386796224 /nfs/dbraw/zinc/79/62/24/386796224.db2.gz SVCALVFICGJOPW-LBPRGKRZSA-N 1 2 246.314 1.326 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H](C)OC)C(=O)OCC ZINC000191222653 386778010 /nfs/dbraw/zinc/77/80/10/386778010.db2.gz PNFVRQABHYWAFM-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO O=C(CNc1cc[nH+]c2ccncc12)NC1CC1 ZINC000269368951 386785041 /nfs/dbraw/zinc/78/50/41/386785041.db2.gz OTZWTOHYCLUTKW-UHFFFAOYSA-N 1 2 242.282 1.320 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCC(N)=O)s1 ZINC000330610372 386787007 /nfs/dbraw/zinc/78/70/07/386787007.db2.gz NKUNHANQXIYYDH-ZCFIWIBFSA-N 1 2 228.321 1.765 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCC(N)=O)s1 ZINC000330610372 386787013 /nfs/dbraw/zinc/78/70/13/386787013.db2.gz NKUNHANQXIYYDH-ZCFIWIBFSA-N 1 2 228.321 1.765 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000357475915 386787953 /nfs/dbraw/zinc/78/79/53/386787953.db2.gz VXJZYERBPFIAPH-OUAUKWLOSA-N 1 2 233.315 1.312 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1csc(C)n1 ZINC000293451749 386819030 /nfs/dbraw/zinc/81/90/30/386819030.db2.gz COHPAOCNWVYBGO-SNVBAGLBSA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1csc(C)n1 ZINC000293451749 386819033 /nfs/dbraw/zinc/81/90/33/386819033.db2.gz COHPAOCNWVYBGO-SNVBAGLBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000269449349 386797197 /nfs/dbraw/zinc/79/71/97/386797197.db2.gz CARUFSLZDRJWTK-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1ccncc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000269449349 386797201 /nfs/dbraw/zinc/79/72/01/386797201.db2.gz CARUFSLZDRJWTK-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000300022033 386798960 /nfs/dbraw/zinc/79/89/60/386798960.db2.gz YKAHXVNXXBXCRE-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@H](NC(=O)COC(C)C)c1[nH]cc[nH+]1 ZINC000125346660 386800909 /nfs/dbraw/zinc/80/09/09/386800909.db2.gz KGQRJCVODRONBK-VIFPVBQESA-N 1 2 225.292 1.402 20 0 BDADLO CCCNC(=O)CCC[N@@H+]1CCC(F)(F)C1 ZINC000411494553 386824132 /nfs/dbraw/zinc/82/41/32/386824132.db2.gz JMBSDYGFRMNZKM-UHFFFAOYSA-N 1 2 234.290 1.634 20 0 BDADLO CCCNC(=O)CCC[N@H+]1CCC(F)(F)C1 ZINC000411494553 386824139 /nfs/dbraw/zinc/82/41/39/386824139.db2.gz JMBSDYGFRMNZKM-UHFFFAOYSA-N 1 2 234.290 1.634 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cnc(C)cn1 ZINC000357580599 386810176 /nfs/dbraw/zinc/81/01/76/386810176.db2.gz IMAVFAHEGUCWCW-UHFFFAOYSA-N 1 2 242.282 1.417 20 0 BDADLO Cn1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)n1 ZINC000334749333 386814400 /nfs/dbraw/zinc/81/44/00/386814400.db2.gz MJYQNLQEQFBLSJ-OLZOCXBDSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)n1 ZINC000334749333 386814404 /nfs/dbraw/zinc/81/44/04/386814404.db2.gz MJYQNLQEQFBLSJ-OLZOCXBDSA-N 1 2 249.358 1.810 20 0 BDADLO CCN(CC1CC1)C(=O)CCc1c[nH+]cn1C ZINC000280451551 386815470 /nfs/dbraw/zinc/81/54/70/386815470.db2.gz GHYVVVVJXMVOFR-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000293488205 386826072 /nfs/dbraw/zinc/82/60/72/386826072.db2.gz AIQNGBSQZYFWNY-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000293488205 386826078 /nfs/dbraw/zinc/82/60/78/386826078.db2.gz AIQNGBSQZYFWNY-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1O ZINC000357688174 386827388 /nfs/dbraw/zinc/82/73/88/386827388.db2.gz BOZTWPLRYGGRSV-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccc(F)cn1 ZINC000293518369 386827878 /nfs/dbraw/zinc/82/78/78/386827878.db2.gz IMADKDJZMCFAEL-LLVKDONJSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccc(F)cn1 ZINC000293518369 386827884 /nfs/dbraw/zinc/82/78/84/386827884.db2.gz IMADKDJZMCFAEL-LLVKDONJSA-N 1 2 210.252 1.441 20 0 BDADLO Cc1ccc(NC(=O)NCCF)c(C)[nH+]1 ZINC000280607281 386829431 /nfs/dbraw/zinc/82/94/31/386829431.db2.gz FLNFYMAEQPTUIV-UHFFFAOYSA-N 1 2 211.240 1.789 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cnn(C)c2C)n1C ZINC000341083524 386835325 /nfs/dbraw/zinc/83/53/25/386835325.db2.gz WYQHEEZOYZISNY-SNVBAGLBSA-N 1 2 247.346 1.621 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)c2cnn(C)c2C)n1C ZINC000341083524 386835336 /nfs/dbraw/zinc/83/53/36/386835336.db2.gz WYQHEEZOYZISNY-SNVBAGLBSA-N 1 2 247.346 1.621 20 0 BDADLO c1cn(C[C@@H]2COc3ccccc3O2)c[nH+]1 ZINC000027881680 386841455 /nfs/dbraw/zinc/84/14/55/386841455.db2.gz OITUGMZTFPLOGE-SNVBAGLBSA-N 1 2 216.240 1.723 20 0 BDADLO CC(C)c1nc(N[C@H](CO)C2CCCC2)cc[nH+]1 ZINC000357778891 386843439 /nfs/dbraw/zinc/84/34/39/386843439.db2.gz DWBKVKKFUNTOQR-GFCCVEGCSA-N 1 2 249.358 1.985 20 0 BDADLO Cc1[nH]nc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000330804762 386892393 /nfs/dbraw/zinc/89/23/93/386892393.db2.gz LIJGBBMYBJPPIC-QMMMGPOBSA-N 1 2 247.302 1.042 20 0 BDADLO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[S@]1=O ZINC000334790325 386854156 /nfs/dbraw/zinc/85/41/56/386854156.db2.gz MPLJNRUBIPAKRD-ANRSDYALSA-N 1 2 237.315 1.485 20 0 BDADLO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[S@]1=O ZINC000334790325 386854160 /nfs/dbraw/zinc/85/41/60/386854160.db2.gz MPLJNRUBIPAKRD-ANRSDYALSA-N 1 2 237.315 1.485 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C=CCCC1 ZINC000341244212 386866287 /nfs/dbraw/zinc/86/62/87/386866287.db2.gz WOVRCDPCPXUPEB-NEPJUHHUSA-N 1 2 248.330 1.680 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2c[nH]nc2C)n1 ZINC000341263846 386870526 /nfs/dbraw/zinc/87/05/26/386870526.db2.gz IWQFSBMGNCZRBZ-UHFFFAOYSA-N 1 2 235.291 1.434 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2ccnn2C)n1 ZINC000341262335 386870799 /nfs/dbraw/zinc/87/07/99/386870799.db2.gz BZFIWTPDLZLMSP-UHFFFAOYSA-N 1 2 235.291 1.136 20 0 BDADLO CCCCNc1cc(N[C@H](C)CC)nc(N)[nH+]1 ZINC000341267826 386872026 /nfs/dbraw/zinc/87/20/26/386872026.db2.gz JZKQIKVFFCEBLO-SECBINFHSA-N 1 2 237.351 1.733 20 0 BDADLO CCCCNc1cc(N[C@H](C)CC)[nH+]c(N)n1 ZINC000341267826 386872034 /nfs/dbraw/zinc/87/20/34/386872034.db2.gz JZKQIKVFFCEBLO-SECBINFHSA-N 1 2 237.351 1.733 20 0 BDADLO C[C@H]1C[NH+](Cc2cccn2C)C[C@H](C)S1=O ZINC000335751285 386876369 /nfs/dbraw/zinc/87/63/69/386876369.db2.gz MXWIMJXNLNKKKV-QWRGUYRKSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@H](O)CCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301784804 386878132 /nfs/dbraw/zinc/87/81/32/386878132.db2.gz OODAVVSNGFAIRD-VIFPVBQESA-N 1 2 246.314 1.419 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000334836927 386878709 /nfs/dbraw/zinc/87/87/09/386878709.db2.gz PGPSUKZCWWAASE-LDYMZIIASA-N 1 2 238.287 1.713 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000334836927 386878710 /nfs/dbraw/zinc/87/87/10/386878710.db2.gz PGPSUKZCWWAASE-LDYMZIIASA-N 1 2 238.287 1.713 20 0 BDADLO C[C@H]1OCCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335752606 386879051 /nfs/dbraw/zinc/87/90/51/386879051.db2.gz QYADHISDKKGNCA-MNOVXSKESA-N 1 2 249.314 1.040 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)COCC)C(=O)OC ZINC000336744897 386883118 /nfs/dbraw/zinc/88/31/18/386883118.db2.gz AAKAJPLHHJXWLW-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CCCO1 ZINC000330777426 386884245 /nfs/dbraw/zinc/88/42/45/386884245.db2.gz UPHUCTGEGHGNKV-LLVKDONJSA-N 1 2 234.299 1.574 20 0 BDADLO CC[C@@H](C)CONC(=O)CCc1[nH]cc[nH+]1 ZINC000293831084 386885843 /nfs/dbraw/zinc/88/58/43/386885843.db2.gz VQPPXBUNHTZQOT-SECBINFHSA-N 1 2 225.292 1.436 20 0 BDADLO Nc1nc(N[C@H]2CCCOC2)[nH+]c2ccccc12 ZINC000301862626 386886158 /nfs/dbraw/zinc/88/61/58/386886158.db2.gz GFDLGCTTYJMKFY-VIFPVBQESA-N 1 2 244.298 1.803 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334862394 386917245 /nfs/dbraw/zinc/91/72/45/386917245.db2.gz LCQVANAAAMQTAK-SNVBAGLBSA-N 1 2 227.283 1.197 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000334862394 386917248 /nfs/dbraw/zinc/91/72/48/386917248.db2.gz LCQVANAAAMQTAK-SNVBAGLBSA-N 1 2 227.283 1.197 20 0 BDADLO Cc1cnc([C@@H](C)NCc2[nH+]cc(C)n2C)o1 ZINC000341395822 386901690 /nfs/dbraw/zinc/90/16/90/386901690.db2.gz ZSUPXJNWCXXULA-SNVBAGLBSA-N 1 2 234.303 1.876 20 0 BDADLO O[C@@]1(C2CC2)CCN(c2cccc[nH+]2)C1 ZINC000335764564 386906304 /nfs/dbraw/zinc/90/63/04/386906304.db2.gz ZJRYZIDEYFRPGN-LBPRGKRZSA-N 1 2 204.273 1.433 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1 ZINC000335767772 386911148 /nfs/dbraw/zinc/91/11/48/386911148.db2.gz PBGZICPUIGQVRW-SNVBAGLBSA-N 1 2 242.282 1.092 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1 ZINC000335767772 386911151 /nfs/dbraw/zinc/91/11/51/386911151.db2.gz PBGZICPUIGQVRW-SNVBAGLBSA-N 1 2 242.282 1.092 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000334818587 386947319 /nfs/dbraw/zinc/94/73/19/386947319.db2.gz NCVXHHANEQAOTO-GHMZBOCLSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](F)C2)C1 ZINC000334818587 386947323 /nfs/dbraw/zinc/94/73/23/386947323.db2.gz NCVXHHANEQAOTO-GHMZBOCLSA-N 1 2 228.311 1.289 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000331928418 386927029 /nfs/dbraw/zinc/92/70/29/386927029.db2.gz QKMKLVFOVHSMNI-LPEHRKFASA-N 1 2 237.303 1.402 20 0 BDADLO CCC(C)(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334870961 386931051 /nfs/dbraw/zinc/93/10/51/386931051.db2.gz UBUKPPYWYKPWGY-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308421495 533205383 /nfs/dbraw/zinc/20/53/83/533205383.db2.gz OOVALAXQJVSKLY-GUBZILKMSA-N 1 2 227.304 1.095 20 0 BDADLO CCN(CC(N)=O)c1cc(C)[nH+]c(C(C)C)n1 ZINC000302744915 386934249 /nfs/dbraw/zinc/93/42/49/386934249.db2.gz FECBZEZWYFMBFT-UHFFFAOYSA-N 1 2 236.319 1.220 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330923699 386934776 /nfs/dbraw/zinc/93/47/76/386934776.db2.gz DRHUZAZNMMSDTO-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000330929851 386934892 /nfs/dbraw/zinc/93/48/92/386934892.db2.gz ZCKREXNGIXVGAC-SECBINFHSA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000330929851 386934894 /nfs/dbraw/zinc/93/48/94/386934894.db2.gz ZCKREXNGIXVGAC-SECBINFHSA-N 1 2 209.293 1.708 20 0 BDADLO O=C(CCC1CCC1)Nc1cc[nH+]cc1O ZINC000358342902 386937164 /nfs/dbraw/zinc/93/71/64/386937164.db2.gz VAQRDNRDLWCPMH-UHFFFAOYSA-N 1 2 220.272 1.728 20 0 BDADLO CSC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000332007116 386940701 /nfs/dbraw/zinc/94/07/01/386940701.db2.gz QSHZDQLZVGNRIK-UHFFFAOYSA-N 1 2 225.317 1.312 20 0 BDADLO Cc1cc(N2C[C@@H]3C[C@H]2CS3)nc[nH+]1 ZINC000334818462 386946001 /nfs/dbraw/zinc/94/60/01/386946001.db2.gz LSCLBRBMCQFABP-IUCAKERBSA-N 1 2 207.302 1.479 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc[nH]c1)C1CC1 ZINC000341701648 386952900 /nfs/dbraw/zinc/95/29/00/386952900.db2.gz AYJAAVHOZPYSNP-NSHDSACASA-N 1 2 244.298 1.629 20 0 BDADLO Cn1cc[nH+]c1Cn1nnc(-c2ccccc2)n1 ZINC000341696603 386953438 /nfs/dbraw/zinc/95/34/38/386953438.db2.gz JYIFILVZMKLDBO-UHFFFAOYSA-N 1 2 240.270 1.122 20 0 BDADLO CO[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341716444 386954956 /nfs/dbraw/zinc/95/49/56/386954956.db2.gz HBEZVMSCZRQIPQ-WCBMZHEXSA-N 1 2 237.303 1.022 20 0 BDADLO CC(C)CCO[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000341747058 386959047 /nfs/dbraw/zinc/95/90/47/386959047.db2.gz CCFHABAZSITZAD-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000334885512 386959050 /nfs/dbraw/zinc/95/90/50/386959050.db2.gz LKKDMPVBOAKSSJ-SFYZADRCSA-N 1 2 239.344 1.942 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000334885512 386959054 /nfs/dbraw/zinc/95/90/54/386959054.db2.gz LKKDMPVBOAKSSJ-SFYZADRCSA-N 1 2 239.344 1.942 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)CCc1c[nH+]cn1C ZINC000334885395 386959317 /nfs/dbraw/zinc/95/93/17/386959317.db2.gz YBUKDFKJOBDSQD-AOOOYVTPSA-N 1 2 221.304 1.362 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368330262 386960362 /nfs/dbraw/zinc/96/03/62/386960362.db2.gz DTSVQIUDPJKZLS-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368330262 386960365 /nfs/dbraw/zinc/96/03/65/386960365.db2.gz DTSVQIUDPJKZLS-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368330263 386960578 /nfs/dbraw/zinc/96/05/78/386960578.db2.gz DTSVQIUDPJKZLS-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368330263 386960582 /nfs/dbraw/zinc/96/05/82/386960582.db2.gz DTSVQIUDPJKZLS-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000332120856 386961029 /nfs/dbraw/zinc/96/10/29/386961029.db2.gz HMOIPFMJUHOABP-MWLCHTKSSA-N 1 2 242.319 1.038 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000332120856 386961035 /nfs/dbraw/zinc/96/10/35/386961035.db2.gz HMOIPFMJUHOABP-MWLCHTKSSA-N 1 2 242.319 1.038 20 0 BDADLO OCCC[N@H+](CC(F)F)CC1CCC1 ZINC000341755483 386961143 /nfs/dbraw/zinc/96/11/43/386961143.db2.gz YAQCAOWYTMOKGC-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO OCCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341755483 386961145 /nfs/dbraw/zinc/96/11/45/386961145.db2.gz YAQCAOWYTMOKGC-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)C1CC(=O)C1 ZINC000368428404 386971639 /nfs/dbraw/zinc/97/16/39/386971639.db2.gz FRJYFCULTGAVIL-LLVKDONJSA-N 1 2 247.298 1.063 20 0 BDADLO C[N@H+](Cc1nc(-c2ccoc2)no1)C1(CO)CC1 ZINC000353021757 386980592 /nfs/dbraw/zinc/98/05/92/386980592.db2.gz CJTJSJIRKQTFRK-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccoc2)no1)C1(CO)CC1 ZINC000353021757 386980598 /nfs/dbraw/zinc/98/05/98/386980598.db2.gz CJTJSJIRKQTFRK-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000331177509 386985506 /nfs/dbraw/zinc/98/55/06/386985506.db2.gz QLHGVYXNGCPQGI-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000331177509 386985509 /nfs/dbraw/zinc/98/55/09/386985509.db2.gz QLHGVYXNGCPQGI-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CC[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(N)=O ZINC000331197635 386986720 /nfs/dbraw/zinc/98/67/20/386986720.db2.gz SWOVLRQAPCAMFZ-ZETCQYMHSA-N 1 2 238.291 1.117 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353009011 386987721 /nfs/dbraw/zinc/98/77/21/386987721.db2.gz POYFMJSHGZOLBG-SECBINFHSA-N 1 2 245.273 1.481 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353009011 386987726 /nfs/dbraw/zinc/98/77/26/386987726.db2.gz POYFMJSHGZOLBG-SECBINFHSA-N 1 2 245.273 1.481 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000528472174 386987975 /nfs/dbraw/zinc/98/79/75/386987975.db2.gz KKXRIKDGHUZESO-SGDMMICCSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000528472174 386987981 /nfs/dbraw/zinc/98/79/81/386987981.db2.gz KKXRIKDGHUZESO-SGDMMICCSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000528472197 386988622 /nfs/dbraw/zinc/98/86/22/386988622.db2.gz KKXRIKDGHUZESO-VGANXODHSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCCNC(=O)[C@H]1C ZINC000528472197 386988624 /nfs/dbraw/zinc/98/86/24/386988624.db2.gz KKXRIKDGHUZESO-VGANXODHSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000528472189 386988680 /nfs/dbraw/zinc/98/86/80/386988680.db2.gz KKXRIKDGHUZESO-USYJTPIQSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCCNC(=O)[C@H]1C ZINC000528472189 386988684 /nfs/dbraw/zinc/98/86/84/386988684.db2.gz KKXRIKDGHUZESO-USYJTPIQSA-N 1 2 216.712 1.339 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@@H+]1CCC[C@]12CCOC2 ZINC000341948868 387003532 /nfs/dbraw/zinc/00/35/32/387003532.db2.gz LUJSLDCOQRPZPN-CYBMUJFWSA-N 1 2 248.330 1.437 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@H+]1CCC[C@]12CCOC2 ZINC000341948868 387003539 /nfs/dbraw/zinc/00/35/39/387003539.db2.gz LUJSLDCOQRPZPN-CYBMUJFWSA-N 1 2 248.330 1.437 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cc(C)no2)C1 ZINC000332699002 387004141 /nfs/dbraw/zinc/00/41/41/387004141.db2.gz MVXKFHJHSVYLMH-WPRPVWTQSA-N 1 2 239.275 1.108 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cc(C)no2)C1 ZINC000332699002 387004145 /nfs/dbraw/zinc/00/41/45/387004145.db2.gz MVXKFHJHSVYLMH-WPRPVWTQSA-N 1 2 239.275 1.108 20 0 BDADLO O=C1NCC[N@@H+](CC2CC2)[C@H]1c1ccccc1F ZINC000368190117 386948230 /nfs/dbraw/zinc/94/82/30/386948230.db2.gz TXGPJBXIBHSOJG-ZDUSSCGKSA-N 1 2 248.301 1.709 20 0 BDADLO O=C1NCC[N@H+](CC2CC2)[C@H]1c1ccccc1F ZINC000368190117 386948234 /nfs/dbraw/zinc/94/82/34/386948234.db2.gz TXGPJBXIBHSOJG-ZDUSSCGKSA-N 1 2 248.301 1.709 20 0 BDADLO Cc1cc(NCCc2ccccc2O)nc[nH+]1 ZINC000353051892 387032405 /nfs/dbraw/zinc/03/24/05/387032405.db2.gz WVXYFVKHXFUFSL-UHFFFAOYSA-N 1 2 229.283 1.567 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333423879 387033735 /nfs/dbraw/zinc/03/37/35/387033735.db2.gz SGIXGMMVICDELF-JGPRNRPPSA-N 1 2 248.330 1.360 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H]1C1CC1 ZINC000334979106 387066550 /nfs/dbraw/zinc/06/65/50/387066550.db2.gz CKUHNCILFBMXFC-GFCCVEGCSA-N 1 2 231.299 1.828 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000639363676 387043872 /nfs/dbraw/zinc/04/38/72/387043872.db2.gz DTZLPFLMLIWBLU-GXFFZTMASA-N 1 2 235.331 1.985 20 0 BDADLO CCc1noc(C[NH+]2CCC(O)(CC)CC2)n1 ZINC000608500742 387045068 /nfs/dbraw/zinc/04/50/68/387045068.db2.gz HNRQYYXTZNBKQG-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000333982508 387048221 /nfs/dbraw/zinc/04/82/21/387048221.db2.gz OLNCCJIGFRHRDF-PELKAZGASA-N 1 2 239.319 1.245 20 0 BDADLO Cc1ccncc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000359050751 387051001 /nfs/dbraw/zinc/05/10/01/387051001.db2.gz FPGLNEZBGNUBMC-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1ccsc1 ZINC000359130277 387057608 /nfs/dbraw/zinc/05/76/08/387057608.db2.gz LEGWAILKSNUXHO-QMMMGPOBSA-N 1 2 235.312 1.891 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1ccsc1 ZINC000359130277 387057613 /nfs/dbraw/zinc/05/76/13/387057613.db2.gz LEGWAILKSNUXHO-QMMMGPOBSA-N 1 2 235.312 1.891 20 0 BDADLO CCOC1(C)C[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC000398886134 387011180 /nfs/dbraw/zinc/01/11/80/387011180.db2.gz KKXSZBQHLIVSKT-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO COCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000519115277 387011366 /nfs/dbraw/zinc/01/13/66/387011366.db2.gz UTRPVCIGSFWHSZ-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO COC(=O)c1cnc([C@H](C)[NH2+]CCF)s1 ZINC000314774091 387012789 /nfs/dbraw/zinc/01/27/89/387012789.db2.gz HRFUPJIIOSOLGO-LURJTMIESA-N 1 2 232.280 1.550 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](O)C23CCCC3)no1 ZINC000333055410 387014587 /nfs/dbraw/zinc/01/45/87/387014587.db2.gz RFTAOTFVBZQYKS-JTQLQIEISA-N 1 2 237.303 1.257 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](O)C23CCCC3)no1 ZINC000333055410 387014591 /nfs/dbraw/zinc/01/45/91/387014591.db2.gz RFTAOTFVBZQYKS-JTQLQIEISA-N 1 2 237.303 1.257 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000334942504 387019980 /nfs/dbraw/zinc/01/99/80/387019980.db2.gz JIMVBOGEFYSMAM-CMPLNLGQSA-N 1 2 247.342 1.782 20 0 BDADLO CCn1cncc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334942922 387020277 /nfs/dbraw/zinc/02/02/77/387020277.db2.gz DDQJOOBFQKLCBO-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cncc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000334942922 387020280 /nfs/dbraw/zinc/02/02/80/387020280.db2.gz DDQJOOBFQKLCBO-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](OC)C(C)(C)C)C1CC1 ZINC000358846364 387021842 /nfs/dbraw/zinc/02/18/42/387021842.db2.gz HLPQKPNSEZQVDI-WDEREUQCSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1ccc(F)c(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000334943572 387021995 /nfs/dbraw/zinc/02/19/95/387021995.db2.gz STTMVQNKZOWJMC-UHFFFAOYSA-N 1 2 246.289 1.783 20 0 BDADLO C[NH2+]Cc1noc([C@]2(C)CCC[C@@H]2C)n1 ZINC000334881801 387026175 /nfs/dbraw/zinc/02/61/75/387026175.db2.gz LTDXSIWBXMYECD-GZMMTYOYSA-N 1 2 209.293 1.867 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333352196 387029739 /nfs/dbraw/zinc/02/97/39/387029739.db2.gz FQZNDRRFKDDDHR-JGPRNRPPSA-N 1 2 231.299 1.732 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H](O)C2)nn1C ZINC000334982081 387069274 /nfs/dbraw/zinc/06/92/74/387069274.db2.gz JWNSBTLTVFJFHA-VIFPVBQESA-N 1 2 243.738 1.339 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H](O)C2)nn1C ZINC000334982081 387069278 /nfs/dbraw/zinc/06/92/78/387069278.db2.gz JWNSBTLTVFJFHA-VIFPVBQESA-N 1 2 243.738 1.339 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCCCNC2=O)o1 ZINC000369827984 387071925 /nfs/dbraw/zinc/07/19/25/387071925.db2.gz CDZRPVWKHBMOHR-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H]2CCCCNC2=O)o1 ZINC000369827984 387071928 /nfs/dbraw/zinc/07/19/28/387071928.db2.gz CDZRPVWKHBMOHR-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CC(C)(C(=O)N1CCC(C)(C)C1)c1c[nH+]c[nH]1 ZINC000334990179 387079303 /nfs/dbraw/zinc/07/93/03/387079303.db2.gz URFLFNLILPDZKQ-UHFFFAOYSA-N 1 2 235.331 1.946 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066404193 387083337 /nfs/dbraw/zinc/08/33/37/387083337.db2.gz DNXJINDQSABYON-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066404193 387083343 /nfs/dbraw/zinc/08/33/43/387083343.db2.gz DNXJINDQSABYON-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CO[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000352349682 387093471 /nfs/dbraw/zinc/09/34/71/387093471.db2.gz GBDHMFNIPJLUQL-WDEREUQCSA-N 1 2 239.319 1.059 20 0 BDADLO CS[C@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000336261514 387095526 /nfs/dbraw/zinc/09/55/26/387095526.db2.gz HIQDESLIDCNIEF-APPZFPTMSA-N 1 2 227.333 1.876 20 0 BDADLO CS[C@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000336261514 387095533 /nfs/dbraw/zinc/09/55/33/387095533.db2.gz HIQDESLIDCNIEF-APPZFPTMSA-N 1 2 227.333 1.876 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C(F)(F)F ZINC000335001796 387095686 /nfs/dbraw/zinc/09/56/86/387095686.db2.gz CTUIVBKXQVIQTF-YFKPBYRVSA-N 1 2 233.193 1.631 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccco1 ZINC000335004579 387099132 /nfs/dbraw/zinc/09/91/32/387099132.db2.gz MVMXUOYPOYWDJF-ZUZCIYMTSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccco1 ZINC000335004579 387099134 /nfs/dbraw/zinc/09/91/34/387099134.db2.gz MVMXUOYPOYWDJF-ZUZCIYMTSA-N 1 2 227.329 1.623 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc[nH]c1 ZINC000068324885 387105673 /nfs/dbraw/zinc/10/56/73/387105673.db2.gz ZYNRFAMBQPISHG-UHFFFAOYSA-N 1 2 217.228 1.671 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)n(C)n1 ZINC000334947108 387109014 /nfs/dbraw/zinc/10/90/14/387109014.db2.gz FFRQPMLIQPMNSS-FZMZJTMJSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)n(C)n1 ZINC000334947108 387109020 /nfs/dbraw/zinc/10/90/20/387109020.db2.gz FFRQPMLIQPMNSS-FZMZJTMJSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](CF)C2)s1 ZINC000336280008 387110314 /nfs/dbraw/zinc/11/03/14/387110314.db2.gz LOEAAAMJJWJZJL-SNVBAGLBSA-N 1 2 244.335 1.930 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](CF)C2)s1 ZINC000336280008 387110318 /nfs/dbraw/zinc/11/03/18/387110318.db2.gz LOEAAAMJJWJZJL-SNVBAGLBSA-N 1 2 244.335 1.930 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000119274942 387113856 /nfs/dbraw/zinc/11/38/56/387113856.db2.gz QAHMENXHVMQZIK-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000119274942 387113861 /nfs/dbraw/zinc/11/38/61/387113861.db2.gz QAHMENXHVMQZIK-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CO[C@@H]1C[C@H](c2nnc[nH]2)[N@H+](CC[C@H](C)F)C1 ZINC000352372660 387116095 /nfs/dbraw/zinc/11/60/95/387116095.db2.gz VJOZOVSWZCADHT-IVZWLZJFSA-N 1 2 242.298 1.315 20 0 BDADLO CO[C@@H]1C[C@H](c2nnc[nH]2)[N@@H+](CC[C@H](C)F)C1 ZINC000352372660 387116099 /nfs/dbraw/zinc/11/60/99/387116099.db2.gz VJOZOVSWZCADHT-IVZWLZJFSA-N 1 2 242.298 1.315 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000336290631 387122359 /nfs/dbraw/zinc/12/23/59/387122359.db2.gz ZXTLNCLFVHFCRA-SNVBAGLBSA-N 1 2 238.360 1.143 20 0 BDADLO Cn1ncnc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000336290631 387122366 /nfs/dbraw/zinc/12/23/66/387122366.db2.gz ZXTLNCLFVHFCRA-SNVBAGLBSA-N 1 2 238.360 1.143 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@@H]2C2CC2)[nH]1 ZINC000336291776 387124083 /nfs/dbraw/zinc/12/40/83/387124083.db2.gz PJTFDECTFDSULE-SNVBAGLBSA-N 1 2 238.360 1.441 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@@H]2C2CC2)[nH]1 ZINC000336291776 387124089 /nfs/dbraw/zinc/12/40/89/387124089.db2.gz PJTFDECTFDSULE-SNVBAGLBSA-N 1 2 238.360 1.441 20 0 BDADLO O=S1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000119448602 387132370 /nfs/dbraw/zinc/13/23/70/387132370.db2.gz GZCWTADZXNVIKV-UHFFFAOYSA-N 1 2 248.351 1.732 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000228922963 387126216 /nfs/dbraw/zinc/12/62/16/387126216.db2.gz JNRCHPTYSDKKLZ-VIFPVBQESA-N 1 2 221.304 1.852 20 0 BDADLO COC[C@@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000370612449 387130124 /nfs/dbraw/zinc/13/01/24/387130124.db2.gz MNRLKXVODRUQJB-SNVBAGLBSA-N 1 2 232.287 1.136 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000119575541 387141551 /nfs/dbraw/zinc/14/15/51/387141551.db2.gz ZYPIWQMMJXUCMD-SECBINFHSA-N 1 2 245.286 1.116 20 0 BDADLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000353158911 387147092 /nfs/dbraw/zinc/14/70/92/387147092.db2.gz CCXQWSDHNGMEOT-VXGBXAGGSA-N 1 2 239.319 1.002 20 0 BDADLO CCC[C@]1(CO)CC[N@H+](CC(F)F)C1 ZINC000367356776 387158275 /nfs/dbraw/zinc/15/82/75/387158275.db2.gz PWYFCBNXQIJSBS-JTQLQIEISA-N 1 2 207.264 1.736 20 0 BDADLO CCC[C@]1(CO)CC[N@@H+](CC(F)F)C1 ZINC000367356776 387158281 /nfs/dbraw/zinc/15/82/81/387158281.db2.gz PWYFCBNXQIJSBS-JTQLQIEISA-N 1 2 207.264 1.736 20 0 BDADLO CC1(C)CC[N@H+](CC(=O)Nc2cnns2)C1 ZINC000571775478 387168955 /nfs/dbraw/zinc/16/89/55/387168955.db2.gz XDYPTVBUWPVUMI-UHFFFAOYSA-N 1 2 240.332 1.209 20 0 BDADLO CC1(C)CC[N@@H+](CC(=O)Nc2cnns2)C1 ZINC000571775478 387168961 /nfs/dbraw/zinc/16/89/61/387168961.db2.gz XDYPTVBUWPVUMI-UHFFFAOYSA-N 1 2 240.332 1.209 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+]1CCNC(=O)[C@@H]1C ZINC000571834794 387179597 /nfs/dbraw/zinc/17/95/97/387179597.db2.gz DGAALSRUFRXZLI-ZJUUUORDSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+]1CCNC(=O)[C@@H]1C ZINC000571834794 387179602 /nfs/dbraw/zinc/17/96/02/387179602.db2.gz DGAALSRUFRXZLI-ZJUUUORDSA-N 1 2 238.356 1.499 20 0 BDADLO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000353336249 387182587 /nfs/dbraw/zinc/18/25/87/387182587.db2.gz NFISLGOMDMBJSP-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000353336247 387183108 /nfs/dbraw/zinc/18/31/08/387183108.db2.gz NFISLGOMDMBJSP-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CCc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000120131450 387186604 /nfs/dbraw/zinc/18/66/04/387186604.db2.gz FAXLQCQGKINRHC-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)c(C)n1C ZINC000336357466 387187722 /nfs/dbraw/zinc/18/77/22/387187722.db2.gz ZBRUVGFPRJJRMH-UHFFFAOYSA-N 1 2 245.282 1.417 20 0 BDADLO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000193188732 387188453 /nfs/dbraw/zinc/18/84/53/387188453.db2.gz XVPNHGHWKKRWBH-JTQLQIEISA-N 1 2 243.310 1.792 20 0 BDADLO [NH3+]CC(F)(F)CN[C@@H]1CCCC12CCC2 ZINC000423341230 387189956 /nfs/dbraw/zinc/18/99/56/387189956.db2.gz KCJXYUHIZAZBMK-SECBINFHSA-N 1 2 218.291 1.893 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(C)n1 ZINC000336303981 387133982 /nfs/dbraw/zinc/13/39/82/387133982.db2.gz FWAANUCQNBJAQL-SNVBAGLBSA-N 1 2 233.315 1.019 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)c(C)n1 ZINC000336303981 387133987 /nfs/dbraw/zinc/13/39/87/387133987.db2.gz FWAANUCQNBJAQL-SNVBAGLBSA-N 1 2 233.315 1.019 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2C2CC2)no1 ZINC000336307576 387136361 /nfs/dbraw/zinc/13/63/61/387136361.db2.gz UGMUKHXFHGFJIG-SNVBAGLBSA-N 1 2 239.344 1.705 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H]2C2CC2)no1 ZINC000336307576 387136367 /nfs/dbraw/zinc/13/63/67/387136367.db2.gz UGMUKHXFHGFJIG-SNVBAGLBSA-N 1 2 239.344 1.705 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1NCC(F)(F)C[NH3+] ZINC000423350397 387203208 /nfs/dbraw/zinc/20/32/08/387203208.db2.gz ZGQVOIKBFKMVSX-MYJAWHEDSA-N 1 2 220.307 1.995 20 0 BDADLO C[N@H+](Cc1cc(F)ccc1F)[C@H]1CCNC1=O ZINC000336382623 387214216 /nfs/dbraw/zinc/21/42/16/387214216.db2.gz KZYZWYQATMGOAI-NSHDSACASA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1cc(F)ccc1F)[C@H]1CCNC1=O ZINC000336382623 387214222 /nfs/dbraw/zinc/21/42/22/387214222.db2.gz KZYZWYQATMGOAI-NSHDSACASA-N 1 2 240.253 1.285 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000336393380 387222389 /nfs/dbraw/zinc/22/23/89/387222389.db2.gz WWCCSJGCVNOLSN-YPMHNXCESA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000336393380 387222393 /nfs/dbraw/zinc/22/23/93/387222393.db2.gz WWCCSJGCVNOLSN-YPMHNXCESA-N 1 2 249.358 1.810 20 0 BDADLO COC(=O)c1cc(C[N@H+](C)Cc2cc[nH]n2)c[nH]1 ZINC000353528042 387223539 /nfs/dbraw/zinc/22/35/39/387223539.db2.gz FTGFSXCLLTZPPX-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc[nH]n2)c[nH]1 ZINC000353528042 387223542 /nfs/dbraw/zinc/22/35/42/387223542.db2.gz FTGFSXCLLTZPPX-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO COCc1ccc(C[N@H+](C)Cc2cc[nH]n2)o1 ZINC000353530245 387223781 /nfs/dbraw/zinc/22/37/81/387223781.db2.gz SAOKMUHYGNZNPE-UHFFFAOYSA-N 1 2 235.287 1.781 20 0 BDADLO COCc1ccc(C[N@@H+](C)Cc2cc[nH]n2)o1 ZINC000353530245 387223787 /nfs/dbraw/zinc/22/37/87/387223787.db2.gz SAOKMUHYGNZNPE-UHFFFAOYSA-N 1 2 235.287 1.781 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)s1 ZINC000230015829 387226886 /nfs/dbraw/zinc/22/68/86/387226886.db2.gz AXMHCKRRDWVIPZ-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)s1 ZINC000230015829 387226889 /nfs/dbraw/zinc/22/68/89/387226889.db2.gz AXMHCKRRDWVIPZ-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC[C@@H]1CCOC1 ZINC000230042048 387229041 /nfs/dbraw/zinc/22/90/41/387229041.db2.gz LKRBOLKAEBFUBX-SECBINFHSA-N 1 2 247.302 1.202 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2[nH]c(=O)oc21 ZINC000352465766 387229119 /nfs/dbraw/zinc/22/91/19/387229119.db2.gz OGLMFIKCPXUZFC-UHFFFAOYSA-N 1 2 244.254 1.879 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000360115543 387229661 /nfs/dbraw/zinc/22/96/61/387229661.db2.gz NHWFVTSMSFMGGD-GXSJLCMTSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360115543 387229669 /nfs/dbraw/zinc/22/96/69/387229669.db2.gz NHWFVTSMSFMGGD-GXSJLCMTSA-N 1 2 249.362 1.516 20 0 BDADLO C[NH2+]Cc1noc([C@H]2CCc3ccccc32)n1 ZINC000336408493 387237917 /nfs/dbraw/zinc/23/79/17/387237917.db2.gz BGOAIJWTBIGEAJ-NSHDSACASA-N 1 2 229.283 1.867 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000336410759 387238203 /nfs/dbraw/zinc/23/82/03/387238203.db2.gz KOBPIIARMPHBLC-RQJHMYQMSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ncc(Cl)s1 ZINC000336410759 387238204 /nfs/dbraw/zinc/23/82/04/387238204.db2.gz KOBPIIARMPHBLC-RQJHMYQMSA-N 1 2 232.736 1.752 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360174921 387238425 /nfs/dbraw/zinc/23/84/25/387238425.db2.gz GQJCZUVMEXXEDN-ZJUUUORDSA-N 1 2 221.304 1.804 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000371696933 387242009 /nfs/dbraw/zinc/24/20/09/387242009.db2.gz RBSGGQOKLPVLOW-RKDXNWHRSA-N 1 2 211.265 1.241 20 0 BDADLO CO[C@H](C)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000371696933 387242014 /nfs/dbraw/zinc/24/20/14/387242014.db2.gz RBSGGQOKLPVLOW-RKDXNWHRSA-N 1 2 211.265 1.241 20 0 BDADLO CCC[C@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000572132487 387244827 /nfs/dbraw/zinc/24/48/27/387244827.db2.gz GBEHEQZUGCVILZ-LBPRGKRZSA-N 1 2 248.326 1.602 20 0 BDADLO CCC[C@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000572132487 387244831 /nfs/dbraw/zinc/24/48/31/387244831.db2.gz GBEHEQZUGCVILZ-LBPRGKRZSA-N 1 2 248.326 1.602 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000371747157 387244958 /nfs/dbraw/zinc/24/49/58/387244958.db2.gz OUQVNKLQLAKSEC-STQMWFEESA-N 1 2 235.331 1.765 20 0 BDADLO CC1CCC([N@H+](Cc2nnn(C)n2)C2CC2)CC1 ZINC000193302412 387195658 /nfs/dbraw/zinc/19/56/58/387195658.db2.gz ZZGUZZBLNNTGFD-UHFFFAOYSA-N 1 2 249.362 1.753 20 0 BDADLO CC1CCC([N@@H+](Cc2nnn(C)n2)C2CC2)CC1 ZINC000193302412 387195668 /nfs/dbraw/zinc/19/56/68/387195668.db2.gz ZZGUZZBLNNTGFD-UHFFFAOYSA-N 1 2 249.362 1.753 20 0 BDADLO Cc1nc(N2CC[C@](C)(C(N)=O)C2)c(C)c(C)[nH+]1 ZINC000360255911 387252317 /nfs/dbraw/zinc/25/23/17/387252317.db2.gz DHGJBNWJSXYNPF-ZDUSSCGKSA-N 1 2 248.330 1.104 20 0 BDADLO COc1ccc(=NCc2c[nH+]cn2C(C)C)[nH]n1 ZINC000424709631 387255270 /nfs/dbraw/zinc/25/52/70/387255270.db2.gz ABFNEMMZGNRKLG-UHFFFAOYSA-N 1 2 247.302 1.297 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230314068 387261675 /nfs/dbraw/zinc/26/16/75/387261675.db2.gz MAIBZJGXIHMOMH-NEPJUHHUSA-N 1 2 221.304 1.375 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccc(C)cn2)CCO1 ZINC000353715310 387263765 /nfs/dbraw/zinc/26/37/65/387263765.db2.gz RTCIGUSSXQBKRA-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccc(C)cn2)CCO1 ZINC000353715310 387263768 /nfs/dbraw/zinc/26/37/68/387263768.db2.gz RTCIGUSSXQBKRA-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@@H]12 ZINC000360339231 387266291 /nfs/dbraw/zinc/26/62/91/387266291.db2.gz WDDJGQWJUGLSOJ-DGCLKSJQSA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccc(F)cc3)[C@@H]12 ZINC000360339231 387266293 /nfs/dbraw/zinc/26/62/93/387266293.db2.gz WDDJGQWJUGLSOJ-DGCLKSJQSA-N 1 2 249.285 1.963 20 0 BDADLO CC(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353739407 387266686 /nfs/dbraw/zinc/26/66/86/387266686.db2.gz PSOSSOPFHHOOCL-JTQLQIEISA-N 1 2 209.293 1.291 20 0 BDADLO C[N@H+](CCCc1ccncc1)Cc1nnc[nH]1 ZINC000360438943 387284533 /nfs/dbraw/zinc/28/45/33/387284533.db2.gz UIFPGEXVQMFCPS-UHFFFAOYSA-N 1 2 231.303 1.264 20 0 BDADLO C[N@@H+](CCCc1ccncc1)Cc1nnc[nH]1 ZINC000360438943 387284539 /nfs/dbraw/zinc/28/45/39/387284539.db2.gz UIFPGEXVQMFCPS-UHFFFAOYSA-N 1 2 231.303 1.264 20 0 BDADLO CN(c1cc(NC2CC2)[nH+]cn1)[C@@H]1CCCOC1 ZINC000564136377 387296611 /nfs/dbraw/zinc/29/66/11/387296611.db2.gz CZZBUQNBMUMEGI-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO CN(c1cc(NC2CC2)nc[nH+]1)[C@@H]1CCCOC1 ZINC000564136377 387296618 /nfs/dbraw/zinc/29/66/18/387296618.db2.gz CZZBUQNBMUMEGI-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858981 387297754 /nfs/dbraw/zinc/29/77/54/387297754.db2.gz XNOICZMRJOHNAP-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858981 387297759 /nfs/dbraw/zinc/29/77/59/387297759.db2.gz XNOICZMRJOHNAP-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1ccnc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336532659 387355233 /nfs/dbraw/zinc/35/52/33/387355233.db2.gz HBHUNFUTWVHEQC-JTQLQIEISA-N 1 2 231.303 1.480 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336532217 387355417 /nfs/dbraw/zinc/35/54/17/387355417.db2.gz GFNJCYGWDFIONZ-BDAKNGLRSA-N 1 2 223.276 1.108 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000520829411 387384040 /nfs/dbraw/zinc/38/40/40/387384040.db2.gz SILNOMXNLNKNLH-SECBINFHSA-N 1 2 209.293 1.434 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H]2CCCC[C@H]21 ZINC000515397252 387374825 /nfs/dbraw/zinc/37/48/25/387374825.db2.gz KXRWUFYUUFRQEH-FRRDWIJNSA-N 1 2 247.342 1.920 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000515397251 387375023 /nfs/dbraw/zinc/37/50/23/387375023.db2.gz KXRWUFYUUFRQEH-AGIUHOORSA-N 1 2 247.342 1.920 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C1CC1 ZINC000373531835 387381149 /nfs/dbraw/zinc/38/11/49/387381149.db2.gz DXSLZNZWHDERBT-GFCCVEGCSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C1CC1 ZINC000373531835 387381153 /nfs/dbraw/zinc/38/11/53/387381153.db2.gz DXSLZNZWHDERBT-GFCCVEGCSA-N 1 2 233.315 1.743 20 0 BDADLO CCC[C@H](C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000354479013 387382248 /nfs/dbraw/zinc/38/22/48/387382248.db2.gz PFBOKGWGZIYMIY-JTQLQIEISA-N 1 2 248.330 1.643 20 0 BDADLO CCC[C@H](C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000354479013 387382250 /nfs/dbraw/zinc/38/22/50/387382250.db2.gz PFBOKGWGZIYMIY-JTQLQIEISA-N 1 2 248.330 1.643 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccon1 ZINC000195391128 387321859 /nfs/dbraw/zinc/32/18/59/387321859.db2.gz SMZRBFXMMWTERG-UHFFFAOYSA-N 1 2 232.243 1.388 20 0 BDADLO Fc1ccc2c(c1)[C@@H](NCc1[nH]cc[nH+]1)CO2 ZINC000336501762 387327323 /nfs/dbraw/zinc/32/73/23/387327323.db2.gz JHZCVIQCWATNAA-JTQLQIEISA-N 1 2 233.246 1.772 20 0 BDADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc[nH]1)CO2 ZINC000336501762 387327326 /nfs/dbraw/zinc/32/73/26/387327326.db2.gz JHZCVIQCWATNAA-JTQLQIEISA-N 1 2 233.246 1.772 20 0 BDADLO CC1(C)C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000162210089 387327583 /nfs/dbraw/zinc/32/75/83/387327583.db2.gz OLWIEDQBOGFCNB-ZETCQYMHSA-N 1 2 206.245 1.772 20 0 BDADLO CC(C)c1nc(NC[C@]2(C)CCOC2)cc[nH+]1 ZINC000354089884 387330176 /nfs/dbraw/zinc/33/01/76/387330176.db2.gz GPZOJHDLJDSEAX-ZDUSSCGKSA-N 1 2 235.331 1.860 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(F)(F)F)C2 ZINC000360663665 387330310 /nfs/dbraw/zinc/33/03/10/387330310.db2.gz QZFWJPSKAAFLDB-ZETCQYMHSA-N 1 2 247.220 1.185 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H](C)C2CC2)nc[nH+]1 ZINC000354202491 387344667 /nfs/dbraw/zinc/34/46/67/387344667.db2.gz GXJCQSACMOQILG-IUCAKERBSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H](C)C2CC2)[nH+]cn1 ZINC000354202491 387344671 /nfs/dbraw/zinc/34/46/71/387344671.db2.gz GXJCQSACMOQILG-IUCAKERBSA-N 1 2 236.319 1.480 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(CCF)CC1 ZINC000354236563 387350122 /nfs/dbraw/zinc/35/01/22/387350122.db2.gz DLORPMFWVUOFLP-UHFFFAOYSA-N 1 2 225.267 1.508 20 0 BDADLO COCc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)no1 ZINC000515792192 387426110 /nfs/dbraw/zinc/42/61/10/387426110.db2.gz RJXAKWIVOXLDLF-DTORHVGOSA-N 1 2 210.277 1.804 20 0 BDADLO COCc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)no1 ZINC000515792192 387426115 /nfs/dbraw/zinc/42/61/15/387426115.db2.gz RJXAKWIVOXLDLF-DTORHVGOSA-N 1 2 210.277 1.804 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352663937 387427339 /nfs/dbraw/zinc/42/73/39/387427339.db2.gz AHIKNDWCZXIOSU-WDEREUQCSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352663937 387427345 /nfs/dbraw/zinc/42/73/45/387427345.db2.gz AHIKNDWCZXIOSU-WDEREUQCSA-N 1 2 238.335 1.204 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423798079 387428554 /nfs/dbraw/zinc/42/85/54/387428554.db2.gz JBQFIGXUMLWLDL-LURJTMIESA-N 1 2 242.216 1.097 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000361305396 387435933 /nfs/dbraw/zinc/43/59/33/387435933.db2.gz XRESNIAFBGPOOX-UHIISALHSA-N 1 2 247.342 1.750 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C)nc1 ZINC000121908040 387438438 /nfs/dbraw/zinc/43/84/38/387438438.db2.gz QIRIVMPLBOVOQC-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C)nc1 ZINC000121908040 387438443 /nfs/dbraw/zinc/43/84/43/387438443.db2.gz QIRIVMPLBOVOQC-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000271186481 387440480 /nfs/dbraw/zinc/44/04/80/387440480.db2.gz JXCIXORKBNEKMK-NWDGAFQWSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000271186481 387440485 /nfs/dbraw/zinc/44/04/85/387440485.db2.gz JXCIXORKBNEKMK-NWDGAFQWSA-N 1 2 248.326 1.831 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2CC2)C1 ZINC000374352144 387444931 /nfs/dbraw/zinc/44/49/31/387444931.db2.gz OJRAJJPIYCLSLY-JTQLQIEISA-N 1 2 219.288 1.146 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@@](=O)[C@@H](C)[C@H]2C)O1 ZINC000354899016 387445007 /nfs/dbraw/zinc/44/50/07/387445007.db2.gz VJOCUODFNGXJTR-KEBCXIEDSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@@](=O)[C@@H](C)[C@H]2C)O1 ZINC000354899016 387445011 /nfs/dbraw/zinc/44/50/11/387445011.db2.gz VJOCUODFNGXJTR-KEBCXIEDSA-N 1 2 245.388 1.395 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](OC)C1 ZINC000361371620 387451059 /nfs/dbraw/zinc/45/10/59/387451059.db2.gz IBLJPUWASRSWDC-CHWSQXEVSA-N 1 2 249.310 1.621 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](OC)C1 ZINC000361371620 387451065 /nfs/dbraw/zinc/45/10/65/387451065.db2.gz IBLJPUWASRSWDC-CHWSQXEVSA-N 1 2 249.310 1.621 20 0 BDADLO CCc1cc(N[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000052005943 387454068 /nfs/dbraw/zinc/45/40/68/387454068.db2.gz KYRPHDGXJXKIMU-GHMZBOCLSA-N 1 2 221.304 1.754 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000361414633 387456317 /nfs/dbraw/zinc/45/63/17/387456317.db2.gz WGHZOMYPWPUEHN-LLVKDONJSA-N 1 2 247.342 1.489 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000361414633 387456324 /nfs/dbraw/zinc/45/63/24/387456324.db2.gz WGHZOMYPWPUEHN-LLVKDONJSA-N 1 2 247.342 1.489 20 0 BDADLO Cc1noc(C[N@@H+](C(C)C)[C@H]2CCOC2)n1 ZINC000361422032 387458781 /nfs/dbraw/zinc/45/87/81/387458781.db2.gz XYAWFOLWMANBAW-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C(C)C)[C@H]2CCOC2)n1 ZINC000361422032 387458782 /nfs/dbraw/zinc/45/87/82/387458782.db2.gz XYAWFOLWMANBAW-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO CN(C)c1nccc(C[N@@H+]2CCC[C@H]2CF)n1 ZINC000354520983 387387871 /nfs/dbraw/zinc/38/78/71/387387871.db2.gz LCCNXPKMQBYRBB-NSHDSACASA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1nccc(C[N@H+]2CCC[C@H]2CF)n1 ZINC000354520983 387387874 /nfs/dbraw/zinc/38/78/74/387387874.db2.gz LCCNXPKMQBYRBB-NSHDSACASA-N 1 2 238.310 1.477 20 0 BDADLO COc1c(O)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000352628113 387389586 /nfs/dbraw/zinc/38/95/86/387389586.db2.gz JBOGEKPYNVRFRA-TXEJJXNPSA-N 1 2 249.310 1.764 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000352628113 387389590 /nfs/dbraw/zinc/38/95/90/387389590.db2.gz JBOGEKPYNVRFRA-TXEJJXNPSA-N 1 2 249.310 1.764 20 0 BDADLO CC[C@H]([NH3+])CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000423672884 387393242 /nfs/dbraw/zinc/39/32/42/387393242.db2.gz FJLQSWWMYDBTEN-ZETCQYMHSA-N 1 2 244.241 1.138 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1nc(N(C)C)no1 ZINC000354622880 387404937 /nfs/dbraw/zinc/40/49/37/387404937.db2.gz BWHNFXYYLSZUPY-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO C[S@@](=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000121796982 387405320 /nfs/dbraw/zinc/40/53/20/387405320.db2.gz QJDZGUWRMKXLHI-INIZCTEOSA-N 1 2 235.312 1.759 20 0 BDADLO Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000121765561 387406539 /nfs/dbraw/zinc/40/65/39/387406539.db2.gz RIJAGYXTIATIBO-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO C[N@H+](Cc1nccs1)Cc1ncccc1O ZINC000572408397 387407636 /nfs/dbraw/zinc/40/76/36/387407636.db2.gz VUHCEIMADCPWQI-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1nccs1)Cc1ncccc1O ZINC000572408397 387407641 /nfs/dbraw/zinc/40/76/41/387407641.db2.gz VUHCEIMADCPWQI-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C/C=C\c1ccncc1 ZINC000361183128 387412203 /nfs/dbraw/zinc/41/22/03/387412203.db2.gz ODULNDINGINJSW-DOGVGXBMSA-N 1 2 234.299 1.588 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C/C=C\c1ccncc1 ZINC000361183128 387412206 /nfs/dbraw/zinc/41/22/06/387412206.db2.gz ODULNDINGINJSW-DOGVGXBMSA-N 1 2 234.299 1.588 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(C(F)(F)F)n1 ZINC000122209533 387498990 /nfs/dbraw/zinc/49/89/90/387498990.db2.gz KZQPSJRDNGQXGJ-UHFFFAOYSA-N 1 2 230.193 1.684 20 0 BDADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1nccs1 ZINC000361582772 387500733 /nfs/dbraw/zinc/50/07/33/387500733.db2.gz BAUAPGXHMDUCQY-UWVGGRQHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nccs1 ZINC000361582772 387500738 /nfs/dbraw/zinc/50/07/38/387500738.db2.gz BAUAPGXHMDUCQY-UWVGGRQHSA-N 1 2 242.344 1.115 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)nc1 ZINC000361592477 387505873 /nfs/dbraw/zinc/50/58/73/387505873.db2.gz BULHPLJLCGWEPR-GFCCVEGCSA-N 1 2 243.314 1.429 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](n3cccn3)C2)nc1 ZINC000361592477 387505878 /nfs/dbraw/zinc/50/58/78/387505878.db2.gz BULHPLJLCGWEPR-GFCCVEGCSA-N 1 2 243.314 1.429 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOCC(F)(F)F ZINC000361644456 387515945 /nfs/dbraw/zinc/51/59/45/387515945.db2.gz AHINRVBRRVUPRP-ZETCQYMHSA-N 1 2 243.225 1.059 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOCC(F)(F)F ZINC000361644456 387515949 /nfs/dbraw/zinc/51/59/49/387515949.db2.gz AHINRVBRRVUPRP-ZETCQYMHSA-N 1 2 243.225 1.059 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000352820583 387517313 /nfs/dbraw/zinc/51/73/13/387517313.db2.gz BCKXBMXFHCVFKL-WDEREUQCSA-N 1 2 234.347 1.433 20 0 BDADLO Cc1cn[nH]c1CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000352820583 387517315 /nfs/dbraw/zinc/51/73/15/387517315.db2.gz BCKXBMXFHCVFKL-WDEREUQCSA-N 1 2 234.347 1.433 20 0 BDADLO c1nc(C[NH2+]Cc2cccnc2)cs1 ZINC000040420099 387526265 /nfs/dbraw/zinc/52/62/65/387526265.db2.gz LHMLVJLWOCQJBK-UHFFFAOYSA-N 1 2 205.286 1.828 20 0 BDADLO Cc1cnc(CNc2nc[nH+]c(N)c2Cl)o1 ZINC000192737716 387532563 /nfs/dbraw/zinc/53/25/63/387532563.db2.gz FBBNGFGTYRDZSG-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO Cc1cnc(CNc2[nH+]cnc(N)c2Cl)o1 ZINC000192737716 387532567 /nfs/dbraw/zinc/53/25/67/387532567.db2.gz FBBNGFGTYRDZSG-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO CO[C@@H](C)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375355806 387533284 /nfs/dbraw/zinc/53/32/84/387533284.db2.gz PTIJBBYPIJWQOO-JTQLQIEISA-N 1 2 239.290 1.364 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC12CCOCC2 ZINC000375416597 387536655 /nfs/dbraw/zinc/53/66/55/387536655.db2.gz ROKSKZDHCNSSGV-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO COC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000375387710 387537142 /nfs/dbraw/zinc/53/71/42/387537142.db2.gz BAFSJEHUXPQBLR-JQWIXIFHSA-N 1 2 246.314 1.519 20 0 BDADLO Cn1cc(N2CC[C@@H](Nc3cccc[nH+]3)C2)cn1 ZINC000361832313 387539818 /nfs/dbraw/zinc/53/98/18/387539818.db2.gz XGLUFVJQDZQDOR-LLVKDONJSA-N 1 2 243.314 1.506 20 0 BDADLO Cn1c[nH+]cc1Cc1nc2ccccc2c(=O)[nH]1 ZINC000352830145 387540916 /nfs/dbraw/zinc/54/09/16/387540916.db2.gz UZIAFUFMWIXDPH-UHFFFAOYSA-N 1 2 240.266 1.660 20 0 BDADLO CCc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(C)n1 ZINC000355051003 387470486 /nfs/dbraw/zinc/47/04/86/387470486.db2.gz AORZMMZXBNDQDL-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCO2)s1 ZINC000355051614 387470622 /nfs/dbraw/zinc/47/06/22/387470622.db2.gz CBTVRHSBEWSSFD-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCO2)s1 ZINC000355051614 387470625 /nfs/dbraw/zinc/47/06/25/387470625.db2.gz CBTVRHSBEWSSFD-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352758299 387473677 /nfs/dbraw/zinc/47/36/77/387473677.db2.gz IZVRISRDXWJYBU-MLGOLLRUSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)CCOCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352758299 387473682 /nfs/dbraw/zinc/47/36/82/387473682.db2.gz IZVRISRDXWJYBU-MLGOLLRUSA-N 1 2 247.404 1.502 20 0 BDADLO CO[C@@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000336620329 387475705 /nfs/dbraw/zinc/47/57/05/387475705.db2.gz FRJOMPDYRTYUQR-SNVBAGLBSA-N 1 2 249.289 1.938 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cccs1)CC2 ZINC000374684762 387479658 /nfs/dbraw/zinc/47/96/58/387479658.db2.gz XDAGSMGJCOZHMQ-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2noc(C)n2)CC1 ZINC000374692863 387482675 /nfs/dbraw/zinc/48/26/75/387482675.db2.gz IXCJMJHGZGMDIY-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2noc(C)n2)CC1 ZINC000374692863 387482678 /nfs/dbraw/zinc/48/26/78/387482678.db2.gz IXCJMJHGZGMDIY-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2noc(C)n2)CC1 ZINC000374692862 387483631 /nfs/dbraw/zinc/48/36/31/387483631.db2.gz IXCJMJHGZGMDIY-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2noc(C)n2)CC1 ZINC000374692862 387483633 /nfs/dbraw/zinc/48/36/33/387483633.db2.gz IXCJMJHGZGMDIY-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H](O)C1CCCCC1 ZINC000336633557 387484587 /nfs/dbraw/zinc/48/45/87/387484587.db2.gz INRFERXEIAALKW-CYBMUJFWSA-N 1 2 248.326 1.692 20 0 BDADLO C(=C\c1ccncc1)\C[N@@H+]1CCn2ncnc2C1 ZINC000426152999 387542640 /nfs/dbraw/zinc/54/26/40/387542640.db2.gz JWLZQTROCSKMOV-UPHRSURJSA-N 1 2 241.298 1.202 20 0 BDADLO C(=C\c1ccncc1)\C[N@H+]1CCn2ncnc2C1 ZINC000426152999 387542644 /nfs/dbraw/zinc/54/26/44/387542644.db2.gz JWLZQTROCSKMOV-UPHRSURJSA-N 1 2 241.298 1.202 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2nnsc2Cl)C[C@@H]1O ZINC000516310186 387492209 /nfs/dbraw/zinc/49/22/09/387492209.db2.gz FSFSHJOYQHTZAQ-RQJHMYQMSA-N 1 2 247.751 1.441 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000516310184 387492773 /nfs/dbraw/zinc/49/27/73/387492773.db2.gz FSFSHJOYQHTZAQ-NKWVEPMBSA-N 1 2 247.751 1.441 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374819466 387492797 /nfs/dbraw/zinc/49/27/97/387492797.db2.gz NPOYCMFTOXYPMG-CHWSQXEVSA-N 1 2 247.294 1.241 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374819466 387492803 /nfs/dbraw/zinc/49/28/03/387492803.db2.gz NPOYCMFTOXYPMG-CHWSQXEVSA-N 1 2 247.294 1.241 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](C3CC3)C2)no1 ZINC000374829116 387493026 /nfs/dbraw/zinc/49/30/26/387493026.db2.gz SAGVDXHMMCYBKU-JTQLQIEISA-N 1 2 237.303 1.448 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](C3CC3)C2)no1 ZINC000374829116 387493032 /nfs/dbraw/zinc/49/30/32/387493032.db2.gz SAGVDXHMMCYBKU-JTQLQIEISA-N 1 2 237.303 1.448 20 0 BDADLO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1O ZINC000211614079 387580040 /nfs/dbraw/zinc/58/00/40/387580040.db2.gz OCRPPRXMSXUCGJ-TXEJJXNPSA-N 1 2 249.310 1.764 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1O ZINC000211614079 387580044 /nfs/dbraw/zinc/58/00/44/387580044.db2.gz OCRPPRXMSXUCGJ-TXEJJXNPSA-N 1 2 249.310 1.764 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1noc(C)n1 ZINC000375787118 387582067 /nfs/dbraw/zinc/58/20/67/387582067.db2.gz FZPMQEIENBLUBD-BSFRTMCYSA-N 1 2 249.314 1.233 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1noc(C)n1 ZINC000375787118 387582069 /nfs/dbraw/zinc/58/20/69/387582069.db2.gz FZPMQEIENBLUBD-BSFRTMCYSA-N 1 2 249.314 1.233 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3cccn3C)C2)c1 ZINC000375845627 387587740 /nfs/dbraw/zinc/58/77/40/387587740.db2.gz BYAVRRHUBSGVTB-UHFFFAOYSA-N 1 2 230.315 1.587 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000528488698 387588708 /nfs/dbraw/zinc/58/87/08/387588708.db2.gz GLWDTNUXHQOFQH-WWQRDVDESA-N 1 2 207.676 1.535 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[C@@](F)(CO)C1 ZINC000528488698 387588711 /nfs/dbraw/zinc/58/87/11/387588711.db2.gz GLWDTNUXHQOFQH-WWQRDVDESA-N 1 2 207.676 1.535 20 0 BDADLO Cc1ccc(NC(=O)COCc2[nH]cc[nH+]2)cc1 ZINC000123802345 387595350 /nfs/dbraw/zinc/59/53/50/387595350.db2.gz LOIDXLHAWNWFED-UHFFFAOYSA-N 1 2 245.282 1.873 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375941487 387597532 /nfs/dbraw/zinc/59/75/32/387597532.db2.gz LNYMLIBISINWDL-GRYCIOLGSA-N 1 2 247.342 1.782 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000355997530 387603356 /nfs/dbraw/zinc/60/33/56/387603356.db2.gz ZQPHBSMNWDUNIR-MWLCHTKSSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000422637130 387610707 /nfs/dbraw/zinc/61/07/07/387610707.db2.gz XLMQUWZGPIMJQZ-HTQZYQBOSA-N 1 2 220.263 1.146 20 0 BDADLO CCCC[N@H+](CCOC)Cc1csnn1 ZINC000124419814 387618047 /nfs/dbraw/zinc/61/80/47/387618047.db2.gz BIFMHFQINIPWPO-UHFFFAOYSA-N 1 2 229.349 1.787 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1csnn1 ZINC000124419814 387618051 /nfs/dbraw/zinc/61/80/51/387618051.db2.gz BIFMHFQINIPWPO-UHFFFAOYSA-N 1 2 229.349 1.787 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC(CC2CC2)C1 ZINC000527555070 387619857 /nfs/dbraw/zinc/61/98/57/387619857.db2.gz LNOZQFGJNPPHAZ-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO C[C@H](O)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000305687201 387627010 /nfs/dbraw/zinc/62/70/10/387627010.db2.gz APTVJFCLGJBDCA-VIFPVBQESA-N 1 2 231.255 1.192 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OCC ZINC000328408868 387556019 /nfs/dbraw/zinc/55/60/19/387556019.db2.gz UPLQFJRBLMAYHW-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nncn1C ZINC000037017393 387557549 /nfs/dbraw/zinc/55/75/49/387557549.db2.gz UNZATPCZYUWKNW-UWVGGRQHSA-N 1 2 246.314 1.933 20 0 BDADLO C[C@H]([NH2+]Cc1ccco1)c1nnc2n1CCC2 ZINC000037148849 387560420 /nfs/dbraw/zinc/56/04/20/387560420.db2.gz MEDAEYNPTJIPBH-VIFPVBQESA-N 1 2 232.287 1.668 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2cncnc2)o1 ZINC000355646809 387561329 /nfs/dbraw/zinc/56/13/29/387561329.db2.gz BMQKWUJAWJOUAK-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2cncnc2)o1 ZINC000355646809 387561334 /nfs/dbraw/zinc/56/13/34/387561334.db2.gz BMQKWUJAWJOUAK-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1noc(C[NH2+][C@H](C)c2cccnc2)n1 ZINC000037989665 387570200 /nfs/dbraw/zinc/57/02/00/387570200.db2.gz QIKKKRXLOUNHJG-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362092019 387570621 /nfs/dbraw/zinc/57/06/21/387570621.db2.gz ZYCSYPRRVOYYBM-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@H](C)[C@H](CO)C2)no1 ZINC000362092019 387570626 /nfs/dbraw/zinc/57/06/26/387570626.db2.gz ZYCSYPRRVOYYBM-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569760 387633851 /nfs/dbraw/zinc/63/38/51/387633851.db2.gz AISSPXHGGPMKMG-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569760 387633854 /nfs/dbraw/zinc/63/38/54/387633854.db2.gz AISSPXHGGPMKMG-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000042569762 387634069 /nfs/dbraw/zinc/63/40/69/387634069.db2.gz AISSPXHGGPMKMG-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000042569762 387634076 /nfs/dbraw/zinc/63/40/76/387634076.db2.gz AISSPXHGGPMKMG-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@H]1C(F)(F)F ZINC000527630046 387641750 /nfs/dbraw/zinc/64/17/50/387641750.db2.gz QKBOJLWNYOTBFG-QMMMGPOBSA-N 1 2 233.237 1.947 20 0 BDADLO CC[C@@H](NC(=O)c1cscn1)c1[nH]cc[nH+]1 ZINC000125197993 387645359 /nfs/dbraw/zinc/64/53/59/387645359.db2.gz BNLCQHRRLJDHBI-SSDOTTSWSA-N 1 2 236.300 1.747 20 0 BDADLO Cc1ccc(NC(=O)CCCCC(N)=O)c(C)[nH+]1 ZINC000430886878 387658068 /nfs/dbraw/zinc/65/80/68/387658068.db2.gz CORCDMLKOHVPNW-UHFFFAOYSA-N 1 2 249.314 1.683 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@@H](CC)C2)cn1 ZINC000125561292 387660016 /nfs/dbraw/zinc/66/00/16/387660016.db2.gz JVITWAQQPLLFMG-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@@H](CC)C2)cn1 ZINC000125561292 387660020 /nfs/dbraw/zinc/66/00/20/387660020.db2.gz JVITWAQQPLLFMG-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccco1 ZINC000125720971 387664346 /nfs/dbraw/zinc/66/43/46/387664346.db2.gz VZINQDJWTDUVHR-WDEREUQCSA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccco1 ZINC000125720971 387664351 /nfs/dbraw/zinc/66/43/51/387664351.db2.gz VZINQDJWTDUVHR-WDEREUQCSA-N 1 2 239.271 1.042 20 0 BDADLO CCC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000362949488 387676279 /nfs/dbraw/zinc/67/62/79/387676279.db2.gz PHAVPOLJXCLHAY-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C1CC1 ZINC000362962859 387679935 /nfs/dbraw/zinc/67/99/35/387679935.db2.gz XGGYVYPXGGWGFM-LLVKDONJSA-N 1 2 248.330 1.504 20 0 BDADLO CC1(C)CC[N@H+](Cc2ncnn2CCF)C1 ZINC000440761079 387686434 /nfs/dbraw/zinc/68/64/34/387686434.db2.gz FTKVKNVOJNNQJY-UHFFFAOYSA-N 1 2 226.299 1.480 20 0 BDADLO CC1(C)CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440761079 387686437 /nfs/dbraw/zinc/68/64/37/387686437.db2.gz FTKVKNVOJNNQJY-UHFFFAOYSA-N 1 2 226.299 1.480 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000440775757 387692272 /nfs/dbraw/zinc/69/22/72/387692272.db2.gz AGRDSNYISHJWSJ-VIFPVBQESA-N 1 2 212.272 1.232 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000440775757 387692276 /nfs/dbraw/zinc/69/22/76/387692276.db2.gz AGRDSNYISHJWSJ-VIFPVBQESA-N 1 2 212.272 1.232 20 0 BDADLO Cc1cccc(C[N@@H+]2CCOC[C@@]23CCOC3)n1 ZINC000441381042 387752715 /nfs/dbraw/zinc/75/27/15/387752715.db2.gz HDAUBYWYPBHZND-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cccc(C[N@H+]2CCOC[C@@]23CCOC3)n1 ZINC000441381042 387752718 /nfs/dbraw/zinc/75/27/18/387752718.db2.gz HDAUBYWYPBHZND-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](F)CC ZINC000440790661 387699298 /nfs/dbraw/zinc/69/92/98/387699298.db2.gz LSNTUVHBVXHRIQ-DTWKUNHWSA-N 1 2 205.273 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](F)CC ZINC000440790661 387699304 /nfs/dbraw/zinc/69/93/04/387699304.db2.gz LSNTUVHBVXHRIQ-DTWKUNHWSA-N 1 2 205.273 1.618 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000452013418 387701231 /nfs/dbraw/zinc/70/12/31/387701231.db2.gz JEUOLYZVKQSMFI-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@]12C[C@@H]1COC2(C)C ZINC000527766151 387702082 /nfs/dbraw/zinc/70/20/82/387702082.db2.gz LLPLRGPAGNGZPJ-PWSUYJOCSA-N 1 2 221.304 1.375 20 0 BDADLO Cc1cnc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)nc1 ZINC000452108150 387738596 /nfs/dbraw/zinc/73/85/96/387738596.db2.gz DCMAKQAWDXZWOH-NEPJUHHUSA-N 1 2 247.342 1.642 20 0 BDADLO Cc1cnc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)nc1 ZINC000452108150 387738600 /nfs/dbraw/zinc/73/86/00/387738600.db2.gz DCMAKQAWDXZWOH-NEPJUHHUSA-N 1 2 247.342 1.642 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ccnn2CC)CCO1 ZINC000128170219 387739609 /nfs/dbraw/zinc/73/96/09/387739609.db2.gz ONONHVIGKASIGO-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ccnn2CC)CCO1 ZINC000128170219 387739612 /nfs/dbraw/zinc/73/96/12/387739612.db2.gz ONONHVIGKASIGO-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196333 387769603 /nfs/dbraw/zinc/76/96/03/387769603.db2.gz KRWVQJSHDGAFSQ-VQCYPWCPSA-N 1 2 247.342 1.986 20 0 BDADLO CC(C)(C)C=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378196333 387769606 /nfs/dbraw/zinc/76/96/06/387769606.db2.gz KRWVQJSHDGAFSQ-VQCYPWCPSA-N 1 2 247.342 1.986 20 0 BDADLO O=S1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527888938 387772630 /nfs/dbraw/zinc/77/26/30/387772630.db2.gz UITYVPCZUJGPAF-UHFFFAOYSA-N 1 2 246.335 1.804 20 0 BDADLO CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)F ZINC000452244279 387778412 /nfs/dbraw/zinc/77/84/12/387778412.db2.gz LQJPHFCEPNSJIR-MRVPVSSYSA-N 1 2 231.246 1.433 20 0 BDADLO CSCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378515508 387789824 /nfs/dbraw/zinc/78/98/24/387789824.db2.gz DKGCQVVMWYJQBL-SECBINFHSA-N 1 2 239.344 1.826 20 0 BDADLO Cc1cnn(C)c1C[NH+]1CC2(C1)CCCO2 ZINC000628427762 387793841 /nfs/dbraw/zinc/79/38/41/387793841.db2.gz XUFUTIHDGTYLCN-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Fc1ccc(C[NH2+]Cc2ncc[nH]2)c(F)c1 ZINC000051017047 387798982 /nfs/dbraw/zinc/79/89/82/387798982.db2.gz FTNZZRQPWDSQSV-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO Fc1ccc(CNCc2[nH]cc[nH+]2)c(F)c1 ZINC000051017047 387798984 /nfs/dbraw/zinc/79/89/84/387798984.db2.gz FTNZZRQPWDSQSV-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](C)c1nncn1C ZINC000527981803 387799372 /nfs/dbraw/zinc/79/93/72/387799372.db2.gz PYZLKFOVRNIZSH-SECBINFHSA-N 1 2 247.302 1.434 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC12CC2 ZINC000527988343 387804047 /nfs/dbraw/zinc/80/40/47/387804047.db2.gz XFUVJICAXSHCEV-NEPJUHHUSA-N 1 2 247.342 1.968 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000452343261 387806634 /nfs/dbraw/zinc/80/66/34/387806634.db2.gz MTAWKQXQIRJNGT-UHFFFAOYSA-N 1 2 219.288 1.958 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@@H]1CCCO1 ZINC000527965477 387810988 /nfs/dbraw/zinc/81/09/88/387810988.db2.gz JRMCJXGRAFNKHF-JTQLQIEISA-N 1 2 222.288 1.705 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@@H](C2CC2)C1 ZINC000527965331 387811689 /nfs/dbraw/zinc/81/16/89/387811689.db2.gz HZNRLXFWJWKBPS-GFCCVEGCSA-N 1 2 234.299 1.705 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000564100517 387826575 /nfs/dbraw/zinc/82/65/75/387826575.db2.gz UQVWTYXTTZQVPX-MNOVXSKESA-N 1 2 248.330 1.549 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(F)cc2F)nn1 ZINC000054861136 387828845 /nfs/dbraw/zinc/82/88/45/387828845.db2.gz CAKAPIMKCZSEJG-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)C(C)C)[C@H](C)CC ZINC000432845904 387832491 /nfs/dbraw/zinc/83/24/91/387832491.db2.gz LEYOGZVQPBDCMD-IJLUTSLNSA-N 1 2 245.363 1.571 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H](C)COCC)C(=O)OCC ZINC000432912887 387838652 /nfs/dbraw/zinc/83/86/52/387838652.db2.gz CWKOYJSCHPNQRJ-XPMWWOIKSA-N 1 2 243.347 1.899 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CCCCCO)[nH+]1 ZINC000432927745 387843690 /nfs/dbraw/zinc/84/36/90/387843690.db2.gz NVBXEXURCRJESL-UHFFFAOYSA-N 1 2 248.330 1.865 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1CC=CC1 ZINC000528111955 387848154 /nfs/dbraw/zinc/84/81/54/387848154.db2.gz BBKLSBHBQFACJG-UHFFFAOYSA-N 1 2 229.287 1.741 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1nc[nH+]c(N)c1OC ZINC000528157139 387856957 /nfs/dbraw/zinc/85/69/57/387856957.db2.gz QGGDPYJMFMFELV-HQJQHLMTSA-N 1 2 238.291 1.047 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1[nH+]cnc(N)c1OC ZINC000528157139 387856960 /nfs/dbraw/zinc/85/69/60/387856960.db2.gz QGGDPYJMFMFELV-HQJQHLMTSA-N 1 2 238.291 1.047 20 0 BDADLO CCCCn1nnnc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000548626291 387863323 /nfs/dbraw/zinc/86/33/23/387863323.db2.gz OLTMIQBGLJHYLB-VIFPVBQESA-N 1 2 249.322 1.047 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)no1 ZINC000193963546 387871348 /nfs/dbraw/zinc/87/13/48/387871348.db2.gz QKTWDLHDSVSITB-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)no1 ZINC000193963546 387871351 /nfs/dbraw/zinc/87/13/51/387871351.db2.gz QKTWDLHDSVSITB-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](C)[C@H](OC)C1 ZINC000527976585 387815289 /nfs/dbraw/zinc/81/52/89/387815289.db2.gz DGWFGDNCMFUJTE-ZYHUDNBSSA-N 1 2 236.315 1.951 20 0 BDADLO C/C(Cl)=C/C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000528340490 387894515 /nfs/dbraw/zinc/89/45/15/387894515.db2.gz TUQGHTNOEQQRLJ-WMZJFQQLSA-N 1 2 245.754 1.428 20 0 BDADLO Cn1ccc(CNc2nc[nH+]c(N)c2Cl)n1 ZINC000236107434 387875392 /nfs/dbraw/zinc/87/53/92/387875392.db2.gz QMWSRXODKVNEKN-UHFFFAOYSA-N 1 2 238.682 1.058 20 0 BDADLO Cn1ccc(CNc2[nH+]cnc(N)c2Cl)n1 ZINC000236107434 387875394 /nfs/dbraw/zinc/87/53/94/387875394.db2.gz QMWSRXODKVNEKN-UHFFFAOYSA-N 1 2 238.682 1.058 20 0 BDADLO CO[C@H]1CCCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492758561 533220233 /nfs/dbraw/zinc/22/02/33/533220233.db2.gz AQFRZKPTHYXICF-MVSYMCDOSA-N 1 2 249.314 1.497 20 0 BDADLO C[C@H]([NH2+]CC1=CCCOC1)C(=O)OC(C)(C)C ZINC000158043422 387889016 /nfs/dbraw/zinc/88/90/16/387889016.db2.gz QHPWHYHJGHTDCH-JTQLQIEISA-N 1 2 241.331 1.653 20 0 BDADLO CSCC[C@@H](CO)Nc1cccc[nH+]1 ZINC000154599199 387900531 /nfs/dbraw/zinc/90/05/31/387900531.db2.gz MYFRZLRHGONAKE-VIFPVBQESA-N 1 2 212.318 1.608 20 0 BDADLO C/C(Cl)=C/C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000528344575 387904068 /nfs/dbraw/zinc/90/40/68/387904068.db2.gz KCTWLDHREINOJW-CHDHTGKKSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C/C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000528344575 387904072 /nfs/dbraw/zinc/90/40/72/387904072.db2.gz KCTWLDHREINOJW-CHDHTGKKSA-N 1 2 237.752 1.248 20 0 BDADLO C[N@H+](CCO)Cc1ncccc1Cl ZINC000528347898 387906243 /nfs/dbraw/zinc/90/62/43/387906243.db2.gz IBBOHYBFYAQYEG-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO C[N@@H+](CCO)Cc1ncccc1Cl ZINC000528347898 387906247 /nfs/dbraw/zinc/90/62/47/387906247.db2.gz IBBOHYBFYAQYEG-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO Cc1cnc(C[N@@H+]2CCc3ncsc3C2)cn1 ZINC000438367696 387930852 /nfs/dbraw/zinc/93/08/52/387930852.db2.gz XANOITXSLARGFF-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1cnc(C[N@H+]2CCc3ncsc3C2)cn1 ZINC000438367696 387930857 /nfs/dbraw/zinc/93/08/57/387930857.db2.gz XANOITXSLARGFF-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)co1 ZINC000548701843 387951214 /nfs/dbraw/zinc/95/12/14/387951214.db2.gz OUFLHKKYLGALSP-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO COC(=O)C1([NH2+]CCc2ccncc2)CCCC1 ZINC000438975995 387970171 /nfs/dbraw/zinc/97/01/71/387970171.db2.gz HLDFRYHUIALNIB-UHFFFAOYSA-N 1 2 248.326 1.700 20 0 BDADLO Cc1oncc1C[N@H+](CCO)Cc1cccnc1 ZINC000445813433 387970639 /nfs/dbraw/zinc/97/06/39/387970639.db2.gz IJLVNKXJIOAOQN-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1oncc1C[N@@H+](CCO)Cc1cccnc1 ZINC000445813433 387970640 /nfs/dbraw/zinc/97/06/40/387970640.db2.gz IJLVNKXJIOAOQN-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO CCc1nocc1CNc1cc[nH+]cc1F ZINC000453050162 387970762 /nfs/dbraw/zinc/97/07/62/387970762.db2.gz UFKVNQGRJGJXEN-UHFFFAOYSA-N 1 2 221.235 1.805 20 0 BDADLO COCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000439026817 387975701 /nfs/dbraw/zinc/97/57/01/387975701.db2.gz JYOXLAUQJPHVIY-UHFFFAOYSA-N 1 2 234.259 1.102 20 0 BDADLO COC[C@H]1C[N@H+](CCC(F)(F)F)C[C@H](C)O1 ZINC000439275853 387989118 /nfs/dbraw/zinc/98/91/18/387989118.db2.gz QQJDANSRMNTFHV-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H]1C[N@@H+](CCC(F)(F)F)C[C@H](C)O1 ZINC000439275853 387989121 /nfs/dbraw/zinc/98/91/21/387989121.db2.gz QQJDANSRMNTFHV-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000245892678 387989559 /nfs/dbraw/zinc/98/95/59/387989559.db2.gz RZWSLYVSTLIZOE-YUMQZZPRSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000245892678 387989564 /nfs/dbraw/zinc/98/95/64/387989564.db2.gz RZWSLYVSTLIZOE-YUMQZZPRSA-N 1 2 213.281 1.006 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)no1 ZINC000446083387 387997823 /nfs/dbraw/zinc/99/78/23/387997823.db2.gz RGEFGUSVGVGDCJ-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)no1 ZINC000446083387 387997828 /nfs/dbraw/zinc/99/78/28/387997828.db2.gz RGEFGUSVGVGDCJ-GARJFASQSA-N 1 2 224.304 1.981 20 0 BDADLO Cn1c[nH+]cc1CSc1ncnc2[nH]cnc21 ZINC000439553833 388009672 /nfs/dbraw/zinc/00/96/72/388009672.db2.gz ZPYVNKYOEVJIRK-UHFFFAOYSA-N 1 2 246.299 1.379 20 0 BDADLO CC[C@@H]([NH2+]CC(F)(F)CO)c1ccncc1 ZINC000453202912 388010225 /nfs/dbraw/zinc/01/02/25/388010225.db2.gz UPCLWCDXKCZSCV-SNVBAGLBSA-N 1 2 230.258 1.750 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNc1ncccc1F ZINC000439615465 388011890 /nfs/dbraw/zinc/01/18/90/388011890.db2.gz RXKVTXVYHQMVQX-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNc1ncccc1F ZINC000439615465 388011894 /nfs/dbraw/zinc/01/18/94/388011894.db2.gz RXKVTXVYHQMVQX-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO Cc1ccc(NC(=O)c2cnns2)c(C)[nH+]1 ZINC000446442779 388021463 /nfs/dbraw/zinc/02/14/63/388021463.db2.gz VIKBXLZBVPBSHT-UHFFFAOYSA-N 1 2 234.284 1.802 20 0 BDADLO CC[C@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000156803268 388035738 /nfs/dbraw/zinc/03/57/38/388035738.db2.gz CVRCZMNSDFUEIS-SNVBAGLBSA-N 1 2 221.304 1.927 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453317151 388044048 /nfs/dbraw/zinc/04/40/48/388044048.db2.gz JJVNBKVXCMNQJM-TUAOUCFPSA-N 1 2 245.363 1.976 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)CC1(C)C ZINC000440519677 388051166 /nfs/dbraw/zinc/05/11/66/388051166.db2.gz MYHRROQBFFFDTB-VIFPVBQESA-N 1 2 223.324 1.078 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)CC1(C)C ZINC000440519677 388051170 /nfs/dbraw/zinc/05/11/70/388051170.db2.gz MYHRROQBFFFDTB-VIFPVBQESA-N 1 2 223.324 1.078 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1c1cc[nH+]c(C)n1 ZINC000447067259 388051686 /nfs/dbraw/zinc/05/16/86/388051686.db2.gz JYIIGCFWDRCCLU-KOLCDFICSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1cccc(NCc2[nH+]ccn2C)c1C(N)=O ZINC000447099552 388052922 /nfs/dbraw/zinc/05/29/22/388052922.db2.gz IHOKCNGFMCBZRD-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000440537779 388052917 /nfs/dbraw/zinc/05/29/17/388052917.db2.gz ZOMDRKQXYMUBIO-GHMZBOCLSA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000440537779 388052918 /nfs/dbraw/zinc/05/29/18/388052918.db2.gz ZOMDRKQXYMUBIO-GHMZBOCLSA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000440530290 388053216 /nfs/dbraw/zinc/05/32/16/388053216.db2.gz JZHHIDYHAMNBQD-VHSXEESVSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000440530290 388053220 /nfs/dbraw/zinc/05/32/20/388053220.db2.gz JZHHIDYHAMNBQD-VHSXEESVSA-N 1 2 216.300 1.287 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000440533912 388053287 /nfs/dbraw/zinc/05/32/87/388053287.db2.gz JZDJIJKIVVERJQ-UHFFFAOYSA-N 1 2 229.230 1.045 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)[C@H]1C ZINC000423281975 388063983 /nfs/dbraw/zinc/06/39/83/388063983.db2.gz VPNLCVAJWHMMJN-KHQFGBGNSA-N 1 2 239.344 1.400 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000084081055 388070537 /nfs/dbraw/zinc/07/05/37/388070537.db2.gz SMOICZGQWVZNMA-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000084081055 388070541 /nfs/dbraw/zinc/07/05/41/388070541.db2.gz SMOICZGQWVZNMA-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC000116884399 388071541 /nfs/dbraw/zinc/07/15/41/388071541.db2.gz VCQZQKUFTILKMN-SECBINFHSA-N 1 2 232.299 1.555 20 0 BDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC000116884399 388071546 /nfs/dbraw/zinc/07/15/46/388071546.db2.gz VCQZQKUFTILKMN-SECBINFHSA-N 1 2 232.299 1.555 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000453414143 388078652 /nfs/dbraw/zinc/07/86/52/388078652.db2.gz KCLRKQWDIFEIRT-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000453414143 388078654 /nfs/dbraw/zinc/07/86/54/388078654.db2.gz KCLRKQWDIFEIRT-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO COC1(CC[N@H+](CCO)CC(F)F)CCC1 ZINC000336659006 388083325 /nfs/dbraw/zinc/08/33/25/388083325.db2.gz PFZCZFVFWDOZTI-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO COC1(CC[N@@H+](CCO)CC(F)F)CCC1 ZINC000336659006 388083326 /nfs/dbraw/zinc/08/33/26/388083326.db2.gz PFZCZFVFWDOZTI-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1O ZINC000085203441 388085051 /nfs/dbraw/zinc/08/50/51/388085051.db2.gz FSCHATKCFQLURO-UHFFFAOYSA-N 1 2 245.282 1.926 20 0 BDADLO C[N@@H+](Cc1cncs1)C[C@@H](O)C(F)(F)F ZINC000349373892 388094442 /nfs/dbraw/zinc/09/44/42/388094442.db2.gz XNOPSKCOTRZESU-SSDOTTSWSA-N 1 2 240.250 1.498 20 0 BDADLO C[N@H+](Cc1cncs1)C[C@@H](O)C(F)(F)F ZINC000349373892 388094444 /nfs/dbraw/zinc/09/44/44/388094444.db2.gz XNOPSKCOTRZESU-SSDOTTSWSA-N 1 2 240.250 1.498 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447828859 388095230 /nfs/dbraw/zinc/09/52/30/388095230.db2.gz FEWHSCDCKRYGPU-UWVGGRQHSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447828859 388095231 /nfs/dbraw/zinc/09/52/31/388095231.db2.gz FEWHSCDCKRYGPU-UWVGGRQHSA-N 1 2 229.320 1.295 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)CCOCC ZINC000447848059 388097662 /nfs/dbraw/zinc/09/76/62/388097662.db2.gz AGRVPLADFCIOJR-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)CCOCC ZINC000447848059 388097665 /nfs/dbraw/zinc/09/76/65/388097665.db2.gz AGRVPLADFCIOJR-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@](O)(CC)C1 ZINC000447877594 388099280 /nfs/dbraw/zinc/09/92/80/388099280.db2.gz IBEZWXYWPBBJQZ-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@](O)(CC)C1 ZINC000447877594 388099282 /nfs/dbraw/zinc/09/92/82/388099282.db2.gz IBEZWXYWPBBJQZ-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cccc(C)n1 ZINC000086485913 388103847 /nfs/dbraw/zinc/10/38/47/388103847.db2.gz LKUXJIOBEMEHAW-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cccc(C)n1 ZINC000086485913 388103850 /nfs/dbraw/zinc/10/38/50/388103850.db2.gz LKUXJIOBEMEHAW-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)CC1(O)CCC1 ZINC000448772902 388109815 /nfs/dbraw/zinc/10/98/15/388109815.db2.gz SPWVKKUYNDHCNP-UHFFFAOYSA-N 1 2 249.314 1.391 20 0 BDADLO CCOCC[N@H+](C)Cc1ccncc1F ZINC000449225290 388159362 /nfs/dbraw/zinc/15/93/62/388159362.db2.gz JXHSMIIZGJOKJO-UHFFFAOYSA-N 1 2 212.268 1.689 20 0 BDADLO CCOCC[N@@H+](C)Cc1ccncc1F ZINC000449225290 388159363 /nfs/dbraw/zinc/15/93/63/388159363.db2.gz JXHSMIIZGJOKJO-UHFFFAOYSA-N 1 2 212.268 1.689 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000449256932 388163769 /nfs/dbraw/zinc/16/37/69/388163769.db2.gz KETWHLSHVZAQSY-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000449256932 388163771 /nfs/dbraw/zinc/16/37/71/388163771.db2.gz KETWHLSHVZAQSY-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000250043618 388167760 /nfs/dbraw/zinc/16/77/60/388167760.db2.gz GZRTXVBPEFVWRX-RKDXNWHRSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000250043618 388167761 /nfs/dbraw/zinc/16/77/61/388167761.db2.gz GZRTXVBPEFVWRX-RKDXNWHRSA-N 1 2 239.319 1.938 20 0 BDADLO FCC(CF)[NH2+]Cc1cccc2c1OCCO2 ZINC000449379360 388188173 /nfs/dbraw/zinc/18/81/73/388188173.db2.gz HQTBQOOYOWHPQF-UHFFFAOYSA-N 1 2 243.253 1.855 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)[C@H]1C ZINC000646252610 388170979 /nfs/dbraw/zinc/17/09/79/388170979.db2.gz GFJFGLREXYSZJP-UWVGGRQHSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)[C@H]1C ZINC000646252610 388170980 /nfs/dbraw/zinc/17/09/80/388170980.db2.gz GFJFGLREXYSZJP-UWVGGRQHSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000646252611 388171004 /nfs/dbraw/zinc/17/10/04/388171004.db2.gz GFJFGLREXYSZJP-VHSXEESVSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000646252611 388171005 /nfs/dbraw/zinc/17/10/05/388171005.db2.gz GFJFGLREXYSZJP-VHSXEESVSA-N 1 2 222.336 1.873 20 0 BDADLO CC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000646260893 388171595 /nfs/dbraw/zinc/17/15/95/388171595.db2.gz PDIBUEMESROULF-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO CC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000646260893 388171598 /nfs/dbraw/zinc/17/15/98/388171598.db2.gz PDIBUEMESROULF-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646261787 388173184 /nfs/dbraw/zinc/17/31/84/388173184.db2.gz XEKMDLMNFBFIQR-VIFPVBQESA-N 1 2 249.314 1.110 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646261787 388173187 /nfs/dbraw/zinc/17/31/87/388173187.db2.gz XEKMDLMNFBFIQR-VIFPVBQESA-N 1 2 249.314 1.110 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1[nH+]ccn1CC ZINC000456096680 388177201 /nfs/dbraw/zinc/17/72/01/388177201.db2.gz IUQIARSPXCNVTA-UHFFFAOYSA-N 1 2 246.314 1.724 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456105400 388178092 /nfs/dbraw/zinc/17/80/92/388178092.db2.gz UICBEEDGVIROJP-HMDXOVGESA-N 1 2 233.315 1.912 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000456105400 388178094 /nfs/dbraw/zinc/17/80/94/388178094.db2.gz UICBEEDGVIROJP-HMDXOVGESA-N 1 2 233.315 1.912 20 0 BDADLO Cc1ncc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000449348559 388179136 /nfs/dbraw/zinc/17/91/36/388179136.db2.gz CEAVVMYFQAAWIG-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1ncc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000449348559 388179139 /nfs/dbraw/zinc/17/91/39/388179139.db2.gz CEAVVMYFQAAWIG-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO CO[C@H](C)CSc1nc(N)cc(C)[nH+]1 ZINC000164008918 388125962 /nfs/dbraw/zinc/12/59/62/388125962.db2.gz RXGBWAKTEUULAE-SSDOTTSWSA-N 1 2 213.306 1.494 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1c(C)nnn1CC ZINC000449015630 388129900 /nfs/dbraw/zinc/12/99/00/388129900.db2.gz LFBZNPHLSPZISV-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1c(C)nnn1CC ZINC000449015630 388129902 /nfs/dbraw/zinc/12/99/02/388129902.db2.gz LFBZNPHLSPZISV-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000162244203 388134608 /nfs/dbraw/zinc/13/46/08/388134608.db2.gz YCURLISFCICTBV-MNOVXSKESA-N 1 2 245.363 1.713 20 0 BDADLO CC/C=C/CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000454968329 388143314 /nfs/dbraw/zinc/14/33/14/388143314.db2.gz HBCRBQBNNHWHSM-FSIBCCDJSA-N 1 2 248.330 1.532 20 0 BDADLO CC/C=C/CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000454968329 388143316 /nfs/dbraw/zinc/14/33/16/388143316.db2.gz HBCRBQBNNHWHSM-FSIBCCDJSA-N 1 2 248.330 1.532 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCC1(CO)CC1 ZINC000455041082 388146186 /nfs/dbraw/zinc/14/61/86/388146186.db2.gz WRJRQDOKIQTJGA-UHFFFAOYSA-N 1 2 249.314 1.096 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449653776 388248554 /nfs/dbraw/zinc/24/85/54/388248554.db2.gz SZTYZSCSCVQYCA-BDAKNGLRSA-N 1 2 234.290 1.394 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449660300 388249960 /nfs/dbraw/zinc/24/99/60/388249960.db2.gz FVYALUVWLMTFSD-ZJUUUORDSA-N 1 2 217.309 1.341 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccco1 ZINC000456365571 388197773 /nfs/dbraw/zinc/19/77/73/388197773.db2.gz ZBMMONQMDLCKPC-VIFPVBQESA-N 1 2 233.271 1.987 20 0 BDADLO CCCOCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456404324 388199464 /nfs/dbraw/zinc/19/94/64/388199464.db2.gz XEYQVNTVWDORBC-SNVBAGLBSA-N 1 2 239.319 1.507 20 0 BDADLO CCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000313440130 256548921 /nfs/dbraw/zinc/54/89/21/256548921.db2.gz FEQYANZRKYHQNC-UHFFFAOYSA-N 1 2 224.308 1.062 20 0 BDADLO Cc1nc(N2C[C@H](C)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000489959080 388229114 /nfs/dbraw/zinc/22/91/14/388229114.db2.gz XQSOEQZYFHLWSG-ZJUUUORDSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000489959080 388229116 /nfs/dbraw/zinc/22/91/16/388229116.db2.gz XQSOEQZYFHLWSG-ZJUUUORDSA-N 1 2 249.362 1.871 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC2CC2)C1 ZINC000518244640 256564741 /nfs/dbraw/zinc/56/47/41/256564741.db2.gz XSEWVURIINBSHU-GFCCVEGCSA-N 1 2 247.342 1.611 20 0 BDADLO Cc1nc(N2CC[C@@H]3CCC[C@H]32)nc(N(C)C)[nH+]1 ZINC000490037310 388231624 /nfs/dbraw/zinc/23/16/24/388231624.db2.gz XYCURZIWAVPVCC-WDEREUQCSA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H]3CCC[C@H]32)[nH+]1 ZINC000490037310 388231627 /nfs/dbraw/zinc/23/16/27/388231627.db2.gz XYCURZIWAVPVCC-WDEREUQCSA-N 1 2 247.346 1.625 20 0 BDADLO CC[C@@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000490067993 388233043 /nfs/dbraw/zinc/23/30/43/388233043.db2.gz ZPOSVBAOKOXRHP-CYBMUJFWSA-N 1 2 235.331 1.753 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000490063112 388233324 /nfs/dbraw/zinc/23/33/24/388233324.db2.gz NHAYLQTVDUTMNA-BDAKNGLRSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000490063112 388233326 /nfs/dbraw/zinc/23/33/26/388233326.db2.gz NHAYLQTVDUTMNA-BDAKNGLRSA-N 1 2 235.335 1.481 20 0 BDADLO COCC[N@H+](Cc1nccs1)[C@@H]1CCOC1 ZINC000490082419 388234965 /nfs/dbraw/zinc/23/49/65/388234965.db2.gz ANRADKNYHNWWQM-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COCC[N@@H+](Cc1nccs1)[C@@H]1CCOC1 ZINC000490082419 388234968 /nfs/dbraw/zinc/23/49/68/388234968.db2.gz ANRADKNYHNWWQM-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COC(C)(C)CC(=O)NCCCn1cc[nH+]c1 ZINC000490460065 388239603 /nfs/dbraw/zinc/23/96/03/388239603.db2.gz WOFPYCYJKKNPQE-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO C[C@H](O)C[N@H+](CC[C@H]1CCOC1)CC(F)F ZINC000449632575 388244278 /nfs/dbraw/zinc/24/42/78/388244278.db2.gz ROBQRHWJIDWVBE-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC[C@H]1CCOC1)CC(F)F ZINC000449632575 388244281 /nfs/dbraw/zinc/24/42/81/388244281.db2.gz ROBQRHWJIDWVBE-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000449632244 388245838 /nfs/dbraw/zinc/24/58/38/388245838.db2.gz QTSXZQCDDPXJDT-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000449632244 388245841 /nfs/dbraw/zinc/24/58/41/388245841.db2.gz QTSXZQCDDPXJDT-NXEZZACHSA-N 1 2 237.290 1.361 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CC(C(C)(C)C)C1)[C@@H](C)O ZINC000459514105 388246003 /nfs/dbraw/zinc/24/60/03/388246003.db2.gz RYXCYTRVPKLCSA-AGVGLQIMSA-N 1 2 243.347 1.323 20 0 BDADLO CC(C)(C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449645719 388247709 /nfs/dbraw/zinc/24/77/09/388247709.db2.gz LKHMKONBAXMVDX-VIFPVBQESA-N 1 2 248.317 1.784 20 0 BDADLO C[C@@H](O)C[N@H+](CCc1cccnc1)CC(F)F ZINC000451833018 388299886 /nfs/dbraw/zinc/29/98/86/388299886.db2.gz MATDEGUNJHTHCO-SNVBAGLBSA-N 1 2 244.285 1.572 20 0 BDADLO C[C@@H](O)C[N@@H+](CCc1cccnc1)CC(F)F ZINC000451833018 388299888 /nfs/dbraw/zinc/29/98/88/388299888.db2.gz MATDEGUNJHTHCO-SNVBAGLBSA-N 1 2 244.285 1.572 20 0 BDADLO CC(C)(C)/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000491839167 388324357 /nfs/dbraw/zinc/32/43/57/388324357.db2.gz RAPRIQAEKQHTJF-SNAWJCMRSA-N 1 2 233.315 1.869 20 0 BDADLO C/C=C/C=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000491889735 388326513 /nfs/dbraw/zinc/32/65/13/388326513.db2.gz WCXRMXNFHFJSCE-SWBALALESA-N 1 2 233.315 1.912 20 0 BDADLO O=C(/C=C\C1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000491896158 388326721 /nfs/dbraw/zinc/32/67/21/388326721.db2.gz RWQZDLRGTOLURK-UPHRSURJSA-N 1 2 235.287 1.009 20 0 BDADLO O=C(C=CC1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000491896158 388326722 /nfs/dbraw/zinc/32/67/22/388326722.db2.gz RWQZDLRGTOLURK-UPHRSURJSA-N 1 2 235.287 1.009 20 0 BDADLO CN(C)c1noc(C[NH+]2CCC(CF)CC2)n1 ZINC000451398668 388269684 /nfs/dbraw/zinc/26/96/84/388269684.db2.gz XBBGDEKBDLMAQK-UHFFFAOYSA-N 1 2 242.298 1.317 20 0 BDADLO CC[C@@H](NC(=O)/C=C\C1CC1)c1[nH]cc[nH+]1 ZINC000492007868 388331246 /nfs/dbraw/zinc/33/12/46/388331246.db2.gz YBDPUPJOKBOVIK-WWQCOOJYSA-N 1 2 219.288 1.943 20 0 BDADLO CC[C@@H](NC(=O)C=CC1CC1)c1[nH]cc[nH+]1 ZINC000492007868 388331247 /nfs/dbraw/zinc/33/12/47/388331247.db2.gz YBDPUPJOKBOVIK-WWQCOOJYSA-N 1 2 219.288 1.943 20 0 BDADLO COC(=O)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451487534 388277512 /nfs/dbraw/zinc/27/75/12/388277512.db2.gz BVFNXTSMPBSTCV-NXEZZACHSA-N 1 2 229.320 1.341 20 0 BDADLO CSCCC[N@H+](C)Cc1nncn1C ZINC000336693291 388404122 /nfs/dbraw/zinc/40/41/22/388404122.db2.gz RDRASMDERWUSMO-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO CSCCC[N@@H+](C)Cc1nncn1C ZINC000336693291 388404123 /nfs/dbraw/zinc/40/41/23/388404123.db2.gz RDRASMDERWUSMO-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO Cc1csc(C[NH2+]CN2CCC(=O)CC2)n1 ZINC000275705387 388344996 /nfs/dbraw/zinc/34/49/96/388344996.db2.gz KGILOZNVLAOBIB-UHFFFAOYSA-N 1 2 239.344 1.164 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1ncnn1C ZINC000277015105 388352527 /nfs/dbraw/zinc/35/25/27/388352527.db2.gz YKSLHXRELIKEGV-MRVPVSSYSA-N 1 2 203.249 1.383 20 0 BDADLO CC[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234100375 388353581 /nfs/dbraw/zinc/35/35/81/388353581.db2.gz HPRBVYOHUPWLJV-ZETCQYMHSA-N 1 2 226.711 1.949 20 0 BDADLO CC[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000234100375 388353582 /nfs/dbraw/zinc/35/35/82/388353582.db2.gz HPRBVYOHUPWLJV-ZETCQYMHSA-N 1 2 226.711 1.949 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1snnc1C ZINC000572648699 388363410 /nfs/dbraw/zinc/36/34/10/388363410.db2.gz NQVVNVOURJOYRA-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1snnc1C ZINC000572648699 388363412 /nfs/dbraw/zinc/36/34/12/388363412.db2.gz NQVVNVOURJOYRA-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC(=O)C1 ZINC000572767764 388374583 /nfs/dbraw/zinc/37/45/83/388374583.db2.gz LCHONKOJRFFWEG-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO CC[C@H]([NH3+])C(=O)NCc1nccc2ccccc21 ZINC000236917050 388386920 /nfs/dbraw/zinc/38/69/20/388386920.db2.gz ICJFNAZQVOAQEV-LBPRGKRZSA-N 1 2 243.310 1.588 20 0 BDADLO CCC[C@H]([NH3+])C(=O)N[C@@H]1COc2ccccc2C1 ZINC000236917027 388386991 /nfs/dbraw/zinc/38/69/91/388386991.db2.gz UVJUISGXQRBYAN-RYUDHWBXSA-N 1 2 248.326 1.234 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ccoc2Cl)C1 ZINC000293575225 388390218 /nfs/dbraw/zinc/39/02/18/388390218.db2.gz AIEHHPOBXPOCMS-UHFFFAOYSA-N 1 2 242.706 1.755 20 0 BDADLO O=C(/C=C/C1CCC1)NCCc1[nH]cc[nH+]1 ZINC000492096638 388334897 /nfs/dbraw/zinc/33/48/97/388334897.db2.gz QYQDKRHGYAYUEB-SNAWJCMRSA-N 1 2 219.288 1.425 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C/C1CCOCC1 ZINC000492110812 388335343 /nfs/dbraw/zinc/33/53/43/388335343.db2.gz QDADZGJHUJXTSB-NSCUHMNNSA-N 1 2 249.314 1.317 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)C ZINC000492260001 388339683 /nfs/dbraw/zinc/33/96/83/388339683.db2.gz LDIPGNGAKOYWNH-WAYWQWQTSA-N 1 2 207.277 1.441 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1ncccn1 ZINC000167252861 388439801 /nfs/dbraw/zinc/43/98/01/388439801.db2.gz OJLJPVSOLBDPDM-UHFFFAOYSA-N 1 2 214.272 1.470 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC(C)(C)C ZINC000336900023 388441676 /nfs/dbraw/zinc/44/16/76/388441676.db2.gz RQLLQMYCYKQHGL-NXEZZACHSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H]([NH2+]CCF)c1nc(C(C)(C)C)no1 ZINC000330363547 388443135 /nfs/dbraw/zinc/44/31/35/388443135.db2.gz JJSKBWDFIFFONU-ZETCQYMHSA-N 1 2 215.272 1.987 20 0 BDADLO CC[C@](C)(CNc1nc[nH+]c(N)c1Cl)OC ZINC000322899601 388449637 /nfs/dbraw/zinc/44/96/37/388449637.db2.gz CXOQWCCYVAYZPM-SNVBAGLBSA-N 1 2 244.726 1.939 20 0 BDADLO CC[C@](C)(CNc1[nH+]cnc(N)c1Cl)OC ZINC000322899601 388449638 /nfs/dbraw/zinc/44/96/38/388449638.db2.gz CXOQWCCYVAYZPM-SNVBAGLBSA-N 1 2 244.726 1.939 20 0 BDADLO CCN(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000041569694 388458484 /nfs/dbraw/zinc/45/84/84/388458484.db2.gz CIGBBLWQYXAPGJ-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000336893901 388472017 /nfs/dbraw/zinc/47/20/17/388472017.db2.gz LFDJKLXOZZNMRC-DTWKUNHWSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000195514394 388475990 /nfs/dbraw/zinc/47/59/90/388475990.db2.gz XXKOIWDCDVSEOI-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CO[C@@H](CNc1cc(C)[nH+]cn1)C1CC1 ZINC000338795264 388478585 /nfs/dbraw/zinc/47/85/85/388478585.db2.gz SHQNFWHHLSJRRQ-JTQLQIEISA-N 1 2 207.277 1.044 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)CC(C)(C)O1 ZINC000141356981 388408887 /nfs/dbraw/zinc/40/88/87/388408887.db2.gz TZCJTXIVPZXALT-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC(C)(C)O1 ZINC000141356981 388408891 /nfs/dbraw/zinc/40/88/91/388408891.db2.gz TZCJTXIVPZXALT-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H](CCCCO)Nc1nc[nH+]c(N)c1Cl ZINC000296391266 388422821 /nfs/dbraw/zinc/42/28/21/388422821.db2.gz UZQDAOGPSXZQQX-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO C[C@@H](CCCCO)Nc1[nH+]cnc(N)c1Cl ZINC000296391266 388422824 /nfs/dbraw/zinc/42/28/24/388422824.db2.gz UZQDAOGPSXZQQX-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO CC(C)=CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573219103 388433627 /nfs/dbraw/zinc/43/36/27/388433627.db2.gz ZHFWORAATTUNGG-SNVBAGLBSA-N 1 2 221.304 1.671 20 0 BDADLO CC(C)=CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573219103 388433630 /nfs/dbraw/zinc/43/36/30/388433630.db2.gz ZHFWORAATTUNGG-SNVBAGLBSA-N 1 2 221.304 1.671 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](O)CCC(C)C)C(C)C ZINC000517210779 388542200 /nfs/dbraw/zinc/54/22/00/388542200.db2.gz GKIHYIGIDGVRJJ-VXGBXAGGSA-N 1 2 245.363 1.571 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000548519629 388545179 /nfs/dbraw/zinc/54/51/79/388545179.db2.gz MGJASKOHIOVTKF-GHMZBOCLSA-N 1 2 233.315 1.221 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000548519630 388545257 /nfs/dbraw/zinc/54/52/57/388545257.db2.gz MGJASKOHIOVTKF-PHIMTYICSA-N 1 2 233.315 1.221 20 0 BDADLO C[C@@H](NC(=O)CSC1CC1)c1[nH]cc[nH+]1 ZINC000517245830 388546246 /nfs/dbraw/zinc/54/62/46/388546246.db2.gz CSTGQJZVZMEMRY-SSDOTTSWSA-N 1 2 225.317 1.483 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC(C2CC2)CC1 ZINC000646759880 388483676 /nfs/dbraw/zinc/48/36/76/388483676.db2.gz DASNYSVZYJMGBZ-UHFFFAOYSA-N 1 2 233.315 1.532 20 0 BDADLO Cc1c[nH]cc1C(=O)NCCc1c[nH+]cn1C ZINC000547804368 388484617 /nfs/dbraw/zinc/48/46/17/388484617.db2.gz WARVFFSFPIRFCV-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO CCCC[C@@H]([NH2+]CC(C)(C)OC)C(=O)OC ZINC000135232245 388486244 /nfs/dbraw/zinc/48/62/44/388486244.db2.gz LLLSYFBGGOXFIV-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO CCCC1(C(=O)NCc2c[nH+]c(C)nc2N)CC1 ZINC000648901876 388486933 /nfs/dbraw/zinc/48/69/33/388486933.db2.gz GZWCVRFDOPKJCE-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO Cc1nc(N)c(CNC(=O)C2=CCCCC2)c[nH+]1 ZINC000648902117 388487333 /nfs/dbraw/zinc/48/73/33/388487333.db2.gz VDILLTDEBVSJBH-UHFFFAOYSA-N 1 2 246.314 1.314 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1cccc(CO)c1 ZINC000547927012 388495202 /nfs/dbraw/zinc/49/52/02/388495202.db2.gz WLJXNNDKEGXHPN-UHFFFAOYSA-N 1 2 245.282 1.094 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H](O)CC1 ZINC000378771564 388500500 /nfs/dbraw/zinc/50/05/00/388500500.db2.gz FZKHZFHMUOXHGA-JTQLQIEISA-N 1 2 222.288 1.441 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ncccc1Cl ZINC000528510217 388507653 /nfs/dbraw/zinc/50/76/53/388507653.db2.gz BXNKADYHICJZJG-VIFPVBQESA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ncccc1Cl ZINC000528510217 388507657 /nfs/dbraw/zinc/50/76/57/388507657.db2.gz BXNKADYHICJZJG-VIFPVBQESA-N 1 2 226.707 1.956 20 0 BDADLO Cc1ccc(C)c([C@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000398051911 388515280 /nfs/dbraw/zinc/51/52/80/388515280.db2.gz WTCNGPAXMJENRU-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCNC(=O)C1(C)C ZINC000528385036 388519478 /nfs/dbraw/zinc/51/94/78/388519478.db2.gz VECXHSRPQTVFMS-YWEYNIOJSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCNC(=O)C1(C)C ZINC000528385036 388519479 /nfs/dbraw/zinc/51/94/79/388519479.db2.gz VECXHSRPQTVFMS-YWEYNIOJSA-N 1 2 216.712 1.339 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cccnc1 ZINC000136046133 388520161 /nfs/dbraw/zinc/52/01/61/388520161.db2.gz ANIMTFFBKZOGBF-AATRIKPKSA-N 1 2 242.282 1.950 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccsc1 ZINC000548190889 388521071 /nfs/dbraw/zinc/52/10/71/388521071.db2.gz QROQEMSKZDYDHX-UHFFFAOYSA-N 1 2 221.285 1.663 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000528402561 388521166 /nfs/dbraw/zinc/52/11/66/388521166.db2.gz HBAQARLBTAYQIQ-FSZCPTMNSA-N 1 2 242.750 1.872 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000528402561 388521169 /nfs/dbraw/zinc/52/11/69/388521169.db2.gz HBAQARLBTAYQIQ-FSZCPTMNSA-N 1 2 242.750 1.872 20 0 BDADLO CC(C)N(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548195221 388521408 /nfs/dbraw/zinc/52/14/08/388521408.db2.gz IZRXMHMDMUTBNM-UHFFFAOYSA-N 1 2 221.304 1.362 20 0 BDADLO C[C@H](CC(=O)Nc1cnn(C)c1)n1cc[nH+]c1 ZINC000516870896 388522734 /nfs/dbraw/zinc/52/27/34/388522734.db2.gz QUVUQVWCFMIDKH-SECBINFHSA-N 1 2 233.275 1.206 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](O)C3(CC3)C2)[nH+]1 ZINC000548286074 388526207 /nfs/dbraw/zinc/52/62/07/388526207.db2.gz FOKXWKYSQYSLIE-SNVBAGLBSA-N 1 2 244.298 1.227 20 0 BDADLO C[N@H+](CCCCO)Cc1nc(C(C)(C)C)no1 ZINC000349932761 388529287 /nfs/dbraw/zinc/52/92/87/388529287.db2.gz GRXRVBXYQOTYHV-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO C[N@@H+](CCCCO)Cc1nc(C(C)(C)C)no1 ZINC000349932761 388529289 /nfs/dbraw/zinc/52/92/89/388529289.db2.gz GRXRVBXYQOTYHV-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CCOC2)[nH+]1 ZINC000516975975 388529412 /nfs/dbraw/zinc/52/94/12/388529412.db2.gz PWULTENZDKOIKY-VIFPVBQESA-N 1 2 237.303 1.106 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000516976063 388529468 /nfs/dbraw/zinc/52/94/68/388529468.db2.gz SXSWEWGICZHCSS-MRVPVSSYSA-N 1 2 239.344 1.514 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528467702 388530940 /nfs/dbraw/zinc/53/09/40/388530940.db2.gz YRCDEOAKBONWOT-DCQANWLSSA-N 1 2 248.326 1.810 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C(F)F ZINC000516202146 256769760 /nfs/dbraw/zinc/76/97/60/256769760.db2.gz OLSHOUZDODBXQN-SECBINFHSA-N 1 2 243.257 1.219 20 0 BDADLO COCC[N@H+](C)Cc1ccsc1C(=O)OC ZINC000088498661 388532673 /nfs/dbraw/zinc/53/26/73/388532673.db2.gz MFKIRFFDIPDOEL-UHFFFAOYSA-N 1 2 243.328 1.613 20 0 BDADLO COCC[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000088498661 388532675 /nfs/dbraw/zinc/53/26/75/388532675.db2.gz MFKIRFFDIPDOEL-UHFFFAOYSA-N 1 2 243.328 1.613 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000528479987 388532899 /nfs/dbraw/zinc/53/28/99/388532899.db2.gz XAGCAQUETVYMMV-CHDHTGKKSA-N 1 2 226.711 1.797 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000528479987 388532900 /nfs/dbraw/zinc/53/29/00/388532900.db2.gz XAGCAQUETVYMMV-CHDHTGKKSA-N 1 2 226.711 1.797 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000516310183 256771874 /nfs/dbraw/zinc/77/18/74/256771874.db2.gz FSFSHJOYQHTZAQ-BQBZGAKWSA-N 1 2 247.751 1.441 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H](C)CC(F)F)c[nH+]1 ZINC000648961795 388588001 /nfs/dbraw/zinc/58/80/01/388588001.db2.gz KKZQZVBMTSVGGI-ZCFIWIBFSA-N 1 2 231.246 1.739 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccs2)[C@H](C(N)=O)C1 ZINC000187396833 388608202 /nfs/dbraw/zinc/60/82/02/388608202.db2.gz CLJWJVYZFIAIEL-BDAKNGLRSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccs2)[C@H](C(N)=O)C1 ZINC000187396833 388608205 /nfs/dbraw/zinc/60/82/05/388608205.db2.gz CLJWJVYZFIAIEL-BDAKNGLRSA-N 1 2 239.344 1.229 20 0 BDADLO OCc1ccc(F)c(COCc2[nH]cc[nH+]2)c1 ZINC000530108608 388609663 /nfs/dbraw/zinc/60/96/63/388609663.db2.gz PVVDBKUYFKLCPK-UHFFFAOYSA-N 1 2 236.246 1.758 20 0 BDADLO CSC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000550663201 388612439 /nfs/dbraw/zinc/61/24/39/388612439.db2.gz IHKHKYFVZVRPEQ-SNVBAGLBSA-N 1 2 224.329 1.121 20 0 BDADLO CSC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000550663201 388612440 /nfs/dbraw/zinc/61/24/40/388612440.db2.gz IHKHKYFVZVRPEQ-SNVBAGLBSA-N 1 2 224.329 1.121 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C1CC1 ZINC000356707470 388551030 /nfs/dbraw/zinc/55/10/30/388551030.db2.gz YFLJEQCWJNVXKG-MVWJERBFSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)(C(=O)NCC1(C2CC2)CC1)c1c[nH]c[nH+]1 ZINC000548745264 388555862 /nfs/dbraw/zinc/55/58/62/388555862.db2.gz VETJXIMUSYUYOD-UHFFFAOYSA-N 1 2 247.342 1.994 20 0 BDADLO FC(F)O[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000548986557 388569583 /nfs/dbraw/zinc/56/95/83/388569583.db2.gz HMUDNGHPUWRLSN-QMMMGPOBSA-N 1 2 214.215 1.900 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC(F)(F)C[C@H]2C)n1 ZINC000528773350 388571211 /nfs/dbraw/zinc/57/12/11/388571211.db2.gz PRSUYDBSTGPFPL-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CCn1ncc(C[N@H+]2CCC(F)(F)C[C@H]2C)n1 ZINC000528773350 388571213 /nfs/dbraw/zinc/57/12/13/388571213.db2.gz PRSUYDBSTGPFPL-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549081663 388572206 /nfs/dbraw/zinc/57/22/06/388572206.db2.gz AIBBSBUKMPQSSE-YUMQZZPRSA-N 1 2 237.246 1.252 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549081663 388572208 /nfs/dbraw/zinc/57/22/08/388572208.db2.gz AIBBSBUKMPQSSE-YUMQZZPRSA-N 1 2 237.246 1.252 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)OCC(C)C ZINC000522075749 388683922 /nfs/dbraw/zinc/68/39/22/388683922.db2.gz BCNFYJHOJXTUGF-LLVKDONJSA-N 1 2 236.315 1.812 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)CCS1 ZINC000189480708 388635392 /nfs/dbraw/zinc/63/53/92/388635392.db2.gz MROAHVVHJGABLL-DTWKUNHWSA-N 1 2 241.364 1.099 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)CCS1 ZINC000189480708 388635395 /nfs/dbraw/zinc/63/53/95/388635395.db2.gz MROAHVVHJGABLL-DTWKUNHWSA-N 1 2 241.364 1.099 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](COC)C(C)C ZINC000083400088 388639296 /nfs/dbraw/zinc/63/92/96/388639296.db2.gz QWBHWINACVRJAH-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OCC ZINC000328408870 388642383 /nfs/dbraw/zinc/64/23/83/388642383.db2.gz UPLQFJRBLMAYHW-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ncccc2F)c[nH+]1 ZINC000530309899 388647930 /nfs/dbraw/zinc/64/79/30/388647930.db2.gz STBRIHKHIYQQKV-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000251561323 388749510 /nfs/dbraw/zinc/74/95/10/388749510.db2.gz QRLNEPUGWQWWQC-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000248655581 388688510 /nfs/dbraw/zinc/68/85/10/388688510.db2.gz BVOKKSYNYPTEFF-ZJUUUORDSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncnc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000248655581 388688513 /nfs/dbraw/zinc/68/85/13/388688513.db2.gz BVOKKSYNYPTEFF-ZJUUUORDSA-N 1 2 240.376 1.624 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)OCC1CC1 ZINC000192899983 388689043 /nfs/dbraw/zinc/68/90/43/388689043.db2.gz MKLMNUZZPJYKMG-UHFFFAOYSA-N 1 2 245.282 1.971 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)c2nnnn2C)CCS1 ZINC000249293462 388715301 /nfs/dbraw/zinc/71/53/01/388715301.db2.gz MROAHVVHJGABLL-BDAKNGLRSA-N 1 2 241.364 1.099 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)c2nnnn2C)CCS1 ZINC000249293462 388715304 /nfs/dbraw/zinc/71/53/04/388715304.db2.gz MROAHVVHJGABLL-BDAKNGLRSA-N 1 2 241.364 1.099 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000554400612 388813906 /nfs/dbraw/zinc/81/39/06/388813906.db2.gz IRKLSUXEVSJEQV-GFCCVEGCSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H](CO)O1 ZINC000230016715 388810389 /nfs/dbraw/zinc/81/03/89/388810389.db2.gz UQQNNZZKLZOXOE-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H](CO)O1 ZINC000230016715 388810393 /nfs/dbraw/zinc/81/03/93/388810393.db2.gz UQQNNZZKLZOXOE-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO CC[C@H](C(=O)N=c1cc2ccccn2[nH]1)[NH+](C)C ZINC000553319342 388763249 /nfs/dbraw/zinc/76/32/49/388763249.db2.gz GMWYMOHTNWUNQW-LLVKDONJSA-N 1 2 246.314 1.035 20 0 BDADLO CC[C@@H](C(=O)N=c1cc2ccccn2[nH]1)[NH+](C)C ZINC000553319343 388763471 /nfs/dbraw/zinc/76/34/71/388763471.db2.gz GMWYMOHTNWUNQW-NSHDSACASA-N 1 2 246.314 1.035 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(CO)o1 ZINC000091981281 388778301 /nfs/dbraw/zinc/77/83/01/388778301.db2.gz YPFKQVZFFPVUGR-SNVBAGLBSA-N 1 2 225.288 1.383 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(CO)o1 ZINC000091981281 388778306 /nfs/dbraw/zinc/77/83/06/388778306.db2.gz YPFKQVZFFPVUGR-SNVBAGLBSA-N 1 2 225.288 1.383 20 0 BDADLO FC1=CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000539812803 388779624 /nfs/dbraw/zinc/77/96/24/388779624.db2.gz ZJKMBXOHXDFJSY-GFCCVEGCSA-N 1 2 229.295 1.741 20 0 BDADLO FC1=CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000539812803 388779627 /nfs/dbraw/zinc/77/96/27/388779627.db2.gz ZJKMBXOHXDFJSY-GFCCVEGCSA-N 1 2 229.295 1.741 20 0 BDADLO Cc1cc(NCCSC(C)C)nc[nH+]1 ZINC000336697132 177708628 /nfs/dbraw/zinc/70/86/28/177708628.db2.gz UNFCIHLRTFHKOJ-UHFFFAOYSA-N 1 2 211.334 1.760 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@H](CC)C(=O)OCC)CCO1 ZINC000252801271 388785161 /nfs/dbraw/zinc/78/51/61/388785161.db2.gz AEGDPDMCRYRDRS-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@H]1C[N@H+]([C@H](CC)C(=O)OCC)CCO1 ZINC000252801271 388785165 /nfs/dbraw/zinc/78/51/65/388785165.db2.gz AEGDPDMCRYRDRS-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CO[C@@H](C)CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541153988 388843160 /nfs/dbraw/zinc/84/31/60/388843160.db2.gz RWAPIYULMUNQQJ-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO COC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000554580909 388823082 /nfs/dbraw/zinc/82/30/82/388823082.db2.gz PMOIXXYAXYPKQF-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO C[C@@]1(O)CCCN(c2cccc[nH+]2)CC1 ZINC000230372776 388823342 /nfs/dbraw/zinc/82/33/42/388823342.db2.gz KJABSXCLCLJAJV-GFCCVEGCSA-N 1 2 206.289 1.823 20 0 BDADLO O=C([C@H]1C[C@@H]1C(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000554787855 388831089 /nfs/dbraw/zinc/83/10/89/388831089.db2.gz VGCDOFKCQPLULK-IUCAKERBSA-N 1 2 241.241 1.168 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000554934714 388836225 /nfs/dbraw/zinc/83/62/25/388836225.db2.gz CUYUAZCXYBLXDV-FBIMIBRVSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000554934714 388836229 /nfs/dbraw/zinc/83/62/29/388836229.db2.gz CUYUAZCXYBLXDV-FBIMIBRVSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCOCC12CCC2 ZINC000093509824 388842116 /nfs/dbraw/zinc/84/21/16/388842116.db2.gz IDIKMLUZPFPLMR-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCOCC12CCC2 ZINC000093509824 388842119 /nfs/dbraw/zinc/84/21/19/388842119.db2.gz IDIKMLUZPFPLMR-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]Cc2cnnn2C)s1 ZINC000129793417 388870977 /nfs/dbraw/zinc/87/09/77/388870977.db2.gz ZTPJMBXERCRTOI-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO CCC[C@H](CC)NC(=O)Cn1cc[nH+]c1 ZINC000564639823 388881292 /nfs/dbraw/zinc/88/12/92/388881292.db2.gz DYJZBNRMLJEBBF-JTQLQIEISA-N 1 2 209.293 1.578 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649166417 388885948 /nfs/dbraw/zinc/88/59/48/388885948.db2.gz CVBMMRXXCPDBFU-GARJFASQSA-N 1 2 233.315 1.267 20 0 BDADLO CO[C@@H](C[N@@H+]1CCC[C@H]1c1ncon1)C1CC1 ZINC000564880109 388895551 /nfs/dbraw/zinc/89/55/51/388895551.db2.gz BVSMIDATGFEUSY-QWRGUYRKSA-N 1 2 237.303 1.632 20 0 BDADLO CO[C@@H](C[N@H+]1CCC[C@H]1c1ncon1)C1CC1 ZINC000564880109 388895556 /nfs/dbraw/zinc/89/55/56/388895556.db2.gz BVSMIDATGFEUSY-QWRGUYRKSA-N 1 2 237.303 1.632 20 0 BDADLO CCOC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000564880877 388896361 /nfs/dbraw/zinc/89/63/61/388896361.db2.gz GPRXBFIWCUUIOV-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO CCOC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000564880877 388896364 /nfs/dbraw/zinc/89/63/64/388896364.db2.gz GPRXBFIWCUUIOV-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CCCOC2)c(C)c[nH+]1 ZINC000541898324 388875282 /nfs/dbraw/zinc/87/52/82/388875282.db2.gz DMBMJTINYYWRFN-CQSZACIVSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCOC(C)(C)C ZINC000565224026 388928404 /nfs/dbraw/zinc/92/84/04/388928404.db2.gz YDKHSURPGHDIEL-UHFFFAOYSA-N 1 2 223.320 1.742 20 0 BDADLO CCn1cccc1C[N@@H+]1CCn2nncc2C1 ZINC000565230613 388929192 /nfs/dbraw/zinc/92/91/92/388929192.db2.gz TVMOVFNFJFIQKN-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1cccc1C[N@H+]1CCn2nncc2C1 ZINC000565230613 388929196 /nfs/dbraw/zinc/92/91/96/388929196.db2.gz TVMOVFNFJFIQKN-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CC1(C(=O)NCc2[nH]cc[nH+]2)CCCCC1 ZINC000153271205 388958725 /nfs/dbraw/zinc/95/87/25/388958725.db2.gz WSYVYNGMTMYNNA-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CCc1ncc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000566014752 388983219 /nfs/dbraw/zinc/98/32/19/388983219.db2.gz QYHLCKSUZVURJV-NSHDSACASA-N 1 2 223.295 1.973 20 0 BDADLO CCc1ncc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000566014752 388983215 /nfs/dbraw/zinc/98/32/15/388983215.db2.gz QYHLCKSUZVURJV-NSHDSACASA-N 1 2 223.295 1.973 20 0 BDADLO Cn1nnc2cc(CNc3c[nH]c[nH+]3)ccc21 ZINC000566041533 388984184 /nfs/dbraw/zinc/98/41/84/388984184.db2.gz MBUSPUKLWBOCCU-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO CCCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566097011 388986898 /nfs/dbraw/zinc/98/68/98/388986898.db2.gz CEGTXNFFEKCRMX-QMMMGPOBSA-N 1 2 213.306 1.011 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000267004236 388997712 /nfs/dbraw/zinc/99/77/12/388997712.db2.gz ZTDSALJOMNVATQ-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CCn1nnc(C)c1CNc1c[nH+]cc(C)c1 ZINC000565814225 388971724 /nfs/dbraw/zinc/97/17/24/388971724.db2.gz FEPNOWJZDFQZBO-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1nccs1 ZINC000273340014 389039272 /nfs/dbraw/zinc/03/92/72/389039272.db2.gz WGXUOWDXKKYRJY-ZCFIWIBFSA-N 1 2 249.286 1.175 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2CCO)cc[nH+]1 ZINC000054937122 132365192 /nfs/dbraw/zinc/36/51/92/132365192.db2.gz TUVUXYINGJOTET-LLVKDONJSA-N 1 2 221.304 1.526 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493181254 533369203 /nfs/dbraw/zinc/36/92/03/533369203.db2.gz BVSIUCKTRPZGCY-CYNONHLPSA-N 1 2 219.288 1.680 20 0 BDADLO COC[C@@](C)(O)CCNc1cccc[nH+]1 ZINC000450592849 533381514 /nfs/dbraw/zinc/38/15/14/533381514.db2.gz PXACZIKHGITUQC-NSHDSACASA-N 1 2 210.277 1.281 20 0 BDADLO COC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494261790 533427637 /nfs/dbraw/zinc/42/76/37/533427637.db2.gz IRCNZBPXDHNMQY-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO COC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494261790 533427642 /nfs/dbraw/zinc/42/76/42/533427642.db2.gz IRCNZBPXDHNMQY-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO CO[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1OC ZINC000487063400 533484574 /nfs/dbraw/zinc/48/45/74/533484574.db2.gz ACTSQKZEKFXGJC-TXEJJXNPSA-N 1 2 247.298 1.413 20 0 BDADLO CSC1(CNC(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493069643 533485109 /nfs/dbraw/zinc/48/51/09/533485109.db2.gz ILPYUUYRQCCNFK-IHWYPQMZSA-N 1 2 237.328 1.435 20 0 BDADLO CSCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492868540 533566193 /nfs/dbraw/zinc/56/61/93/533566193.db2.gz SRZSIBDFHAOBBV-ARJAWSKDSA-N 1 2 225.317 1.292 20 0 BDADLO Cc1nc(N2C[C@@H](C)OC(C)(C)C2)cc[nH+]1 ZINC000266144857 132184285 /nfs/dbraw/zinc/18/42/85/132184285.db2.gz RLHGTLLDNSLWRK-SECBINFHSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000265610868 132183046 /nfs/dbraw/zinc/18/30/46/132183046.db2.gz OLUZSBBDYVOQSJ-UHFFFAOYSA-N 1 2 245.286 1.100 20 0 BDADLO Cc1nc(N2CCSC[C@H]2C)cc[nH+]1 ZINC000266240973 132185217 /nfs/dbraw/zinc/18/52/17/132185217.db2.gz LHSUKBVRWXNRBV-MRVPVSSYSA-N 1 2 209.318 1.727 20 0 BDADLO C[C@@H]1COCCN1c1cc[nH+]c2ccncc21 ZINC000267168032 132188294 /nfs/dbraw/zinc/18/82/94/132188294.db2.gz BQQFDUYHPFLDDS-SNVBAGLBSA-N 1 2 229.283 1.855 20 0 BDADLO Cc1nc(N2CCOCC2)c2c([nH+]1)CCCC2 ZINC000267995208 132191223 /nfs/dbraw/zinc/19/12/23/132191223.db2.gz RRTXUMVDOWDPKM-UHFFFAOYSA-N 1 2 233.315 1.500 20 0 BDADLO Cc1nc(N2CCO[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000268835777 132193625 /nfs/dbraw/zinc/19/36/25/132193625.db2.gz UFXLGBRNJZKAIT-IUCAKERBSA-N 1 2 207.277 1.399 20 0 BDADLO Fc1cnc(N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000269488550 132194408 /nfs/dbraw/zinc/19/44/08/132194408.db2.gz NJSMGNYPUXQARC-UHFFFAOYSA-N 1 2 247.277 1.654 20 0 BDADLO c1ccc(N2CCO[C@@H]3CCC[C@@H]32)[nH+]c1 ZINC000271638596 132199742 /nfs/dbraw/zinc/19/97/42/132199742.db2.gz PGKFIJUZDKNTJI-WDEREUQCSA-N 1 2 204.273 1.839 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000277000405 132206709 /nfs/dbraw/zinc/20/67/09/132206709.db2.gz WYRBURARRPJMNB-KOLCDFICSA-N 1 2 249.314 1.420 20 0 BDADLO CCc1nc(N2CCOC[C@@H]2C)cc(C)[nH+]1 ZINC000283693618 132212927 /nfs/dbraw/zinc/21/29/27/132212927.db2.gz ZBXOGGNUTGQUMQ-JTQLQIEISA-N 1 2 221.304 1.573 20 0 BDADLO Cc1nccnc1N1CCn2c[nH+]cc2C1 ZINC000290635361 132216933 /nfs/dbraw/zinc/21/69/33/132216933.db2.gz HMZMYTHRXRTJEY-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO Cc1cc(N2CCO[C@H](c3ccco3)C2)nc[nH+]1 ZINC000133426745 132238118 /nfs/dbraw/zinc/23/81/18/132238118.db2.gz IRBMXRCBUUFYPY-LBPRGKRZSA-N 1 2 245.282 1.956 20 0 BDADLO CC(=O)N(C)C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000301224808 132251729 /nfs/dbraw/zinc/25/17/29/132251729.db2.gz FPNKHRUXJVEFSM-UHFFFAOYSA-N 1 2 248.330 1.232 20 0 BDADLO Cc1cc(N2CCC(n3cncn3)CC2)nc[nH+]1 ZINC000301247286 132252155 /nfs/dbraw/zinc/25/21/55/132252155.db2.gz QOEDXGKYPINDAO-UHFFFAOYSA-N 1 2 244.302 1.218 20 0 BDADLO Nc1nc(N2CCC[C@@H](O)C2)[nH+]c2ccccc12 ZINC000301754925 132257487 /nfs/dbraw/zinc/25/74/87/132257487.db2.gz CVFMEBXFYAFCLO-SECBINFHSA-N 1 2 244.298 1.173 20 0 BDADLO Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000301793406 132257790 /nfs/dbraw/zinc/25/77/90/132257790.db2.gz SCPAQJOLSHKHPO-GHMZBOCLSA-N 1 2 221.304 1.382 20 0 BDADLO CC[NH+]1CCN(c2ncncc2Cl)CC1 ZINC000302595873 132264524 /nfs/dbraw/zinc/26/45/24/132264524.db2.gz XIJBOCFVCXUJIY-UHFFFAOYSA-N 1 2 226.711 1.272 20 0 BDADLO C[C@@H]1CC[C@@H](C(N)=O)CN1c1cccc[nH+]1 ZINC000302655314 132265308 /nfs/dbraw/zinc/26/53/08/132265308.db2.gz KRBVXKZNZWOYKJ-NXEZZACHSA-N 1 2 219.288 1.172 20 0 BDADLO OCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000105785466 132267235 /nfs/dbraw/zinc/26/72/35/132267235.db2.gz AAPVNTRTICSJEY-UHFFFAOYSA-N 1 2 236.319 1.261 20 0 BDADLO OCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000105785466 132267236 /nfs/dbraw/zinc/26/72/36/132267236.db2.gz AAPVNTRTICSJEY-UHFFFAOYSA-N 1 2 236.319 1.261 20 0 BDADLO Cc1nc(N2CCOC(C)(C)[C@@H]2C)cc[nH+]1 ZINC000357179618 132272808 /nfs/dbraw/zinc/27/28/08/132272808.db2.gz NGQPJWXLOVBINC-VIFPVBQESA-N 1 2 221.304 1.789 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000357205406 132272836 /nfs/dbraw/zinc/27/28/36/132272836.db2.gz SSHHGXZIRYKZEM-HZMBPMFUSA-N 1 2 243.310 1.837 20 0 BDADLO O=C1C[N@H+](CC2CC2)CCN1c1ccccc1 ZINC000360601179 132278898 /nfs/dbraw/zinc/27/88/98/132278898.db2.gz YHYFPHNJXVICBZ-UHFFFAOYSA-N 1 2 230.311 1.745 20 0 BDADLO O=C1C[N@@H+](CC2CC2)CCN1c1ccccc1 ZINC000360601179 132278903 /nfs/dbraw/zinc/27/89/03/132278903.db2.gz YHYFPHNJXVICBZ-UHFFFAOYSA-N 1 2 230.311 1.745 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H](C)O1 ZINC000361026111 132279666 /nfs/dbraw/zinc/27/96/66/132279666.db2.gz RGZKUGUESYRDQP-GXSJLCMTSA-N 1 2 221.304 1.789 20 0 BDADLO O=C(NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036178941 132340708 /nfs/dbraw/zinc/34/07/08/132340708.db2.gz OUGQFBKALNAOGG-UHFFFAOYSA-N 1 2 246.314 1.076 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2c2ncccn2)[nH]1 ZINC000301576233 132359688 /nfs/dbraw/zinc/35/96/88/132359688.db2.gz MGGFRICRWJQNPH-SNVBAGLBSA-N 1 2 229.287 1.931 20 0 BDADLO COC(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000051449039 132361188 /nfs/dbraw/zinc/36/11/88/132361188.db2.gz BKUJAVNJHRVYRC-UHFFFAOYSA-N 1 2 220.272 1.471 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1[C@@H](C)C[C@@H]1C ZINC000334520079 133679580 /nfs/dbraw/zinc/67/95/80/133679580.db2.gz VPNXDRXBXNAUJJ-UWVGGRQHSA-N 1 2 236.319 1.595 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CCC[C@H]21 ZINC000335882678 133949831 /nfs/dbraw/zinc/94/98/31/133949831.db2.gz SOBCBABTYFCNOH-NWDGAFQWSA-N 1 2 233.315 1.674 20 0 BDADLO CN(CCCCO)c1cc[nH+]c2ccncc21 ZINC000350703175 133957449 /nfs/dbraw/zinc/95/74/49/133957449.db2.gz SKWUREWRQDZPMQ-UHFFFAOYSA-N 1 2 231.299 1.839 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000335926669 134009075 /nfs/dbraw/zinc/00/90/75/134009075.db2.gz YQBULPPEMPZVPK-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000335926669 134009076 /nfs/dbraw/zinc/00/90/76/134009076.db2.gz YQBULPPEMPZVPK-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000335932782 134011438 /nfs/dbraw/zinc/01/14/38/134011438.db2.gz FEZOXFCHBNHSTL-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000335932782 134011439 /nfs/dbraw/zinc/01/14/39/134011439.db2.gz FEZOXFCHBNHSTL-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000335932782 134011440 /nfs/dbraw/zinc/01/14/40/134011440.db2.gz FEZOXFCHBNHSTL-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000335932782 134011441 /nfs/dbraw/zinc/01/14/41/134011441.db2.gz FEZOXFCHBNHSTL-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000351931592 134012284 /nfs/dbraw/zinc/01/22/84/134012284.db2.gz RRZRXIWZTZNWMQ-ONGXEEELSA-N 1 2 249.314 1.543 20 0 BDADLO C1=C(C[NH+]2CCN(C3CCC3)CC2)COCC1 ZINC000335942777 134018364 /nfs/dbraw/zinc/01/83/64/134018364.db2.gz HLXHBSHNAMNVBG-UHFFFAOYSA-N 1 2 236.359 1.503 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)C2)cc1 ZINC000335944710 134019654 /nfs/dbraw/zinc/01/96/54/134019654.db2.gz BXPIWNHJQSCBTE-WBMJQRKESA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)C2)cc1 ZINC000335944710 134019655 /nfs/dbraw/zinc/01/96/55/134019655.db2.gz BXPIWNHJQSCBTE-WBMJQRKESA-N 1 2 237.368 1.948 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000335946081 134019768 /nfs/dbraw/zinc/01/97/68/134019768.db2.gz ZJWZCJSIXCHQAL-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1ccccc1C[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000335945324 134020188 /nfs/dbraw/zinc/02/01/88/134020188.db2.gz XBNRQWYGBGCINX-WBMJQRKESA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccccc1C[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000335945324 134020189 /nfs/dbraw/zinc/02/01/89/134020189.db2.gz XBNRQWYGBGCINX-WBMJQRKESA-N 1 2 237.368 1.948 20 0 BDADLO COc1ccsc1CN1CCn2cc[nH+]c2C1 ZINC000335945368 134020199 /nfs/dbraw/zinc/02/01/99/134020199.db2.gz HGIUEWHXKXWOKX-UHFFFAOYSA-N 1 2 249.339 1.969 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335949702 134021420 /nfs/dbraw/zinc/02/14/20/134021420.db2.gz FXURSJYOXJQFFH-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1sccc1F ZINC000335948913 134021436 /nfs/dbraw/zinc/02/14/36/134021436.db2.gz STUVDMVEFULFCF-UHFFFAOYSA-N 1 2 239.275 1.551 20 0 BDADLO C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCOC1 ZINC000335978699 134032326 /nfs/dbraw/zinc/03/23/26/134032326.db2.gz RIANLGSRVKZQMH-ZDUSSCGKSA-N 1 2 249.314 1.042 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2c1CNC2=O ZINC000335985651 134038623 /nfs/dbraw/zinc/03/86/23/134038623.db2.gz AEUWVUPDOWNABL-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO CC(C)=CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335992195 134040691 /nfs/dbraw/zinc/04/06/91/134040691.db2.gz ZPJAJCGSHLRQCW-YABSGUDNSA-N 1 2 215.362 1.794 20 0 BDADLO CC(C)=CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335992195 134040692 /nfs/dbraw/zinc/04/06/92/134040692.db2.gz ZPJAJCGSHLRQCW-YABSGUDNSA-N 1 2 215.362 1.794 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352026036 134042468 /nfs/dbraw/zinc/04/24/68/134042468.db2.gz CWSVZYVFLGBIPZ-HTQZYQBOSA-N 1 2 245.277 1.248 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352026036 134042469 /nfs/dbraw/zinc/04/24/69/134042469.db2.gz CWSVZYVFLGBIPZ-HTQZYQBOSA-N 1 2 245.277 1.248 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+](C)CC[C@@H](C)F)n1 ZINC000352050882 134046378 /nfs/dbraw/zinc/04/63/78/134046378.db2.gz WFESZIIUMDXHRB-BDAKNGLRSA-N 1 2 245.298 1.957 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+](C)CC[C@@H](C)F)n1 ZINC000352050882 134046379 /nfs/dbraw/zinc/04/63/79/134046379.db2.gz WFESZIIUMDXHRB-BDAKNGLRSA-N 1 2 245.298 1.957 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)nc2)C[C@@H](C)O1 ZINC000352050773 134046818 /nfs/dbraw/zinc/04/68/18/134046818.db2.gz VAQWUPQBYHCFKM-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@@H](C)O1 ZINC000352050773 134046819 /nfs/dbraw/zinc/04/68/19/134046819.db2.gz VAQWUPQBYHCFKM-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC=C(F)C1 ZINC000336023882 134046832 /nfs/dbraw/zinc/04/68/32/134046832.db2.gz RLRFCVUEXVSBGK-VIFPVBQESA-N 1 2 228.311 1.849 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC=C(F)C1 ZINC000336023882 134046833 /nfs/dbraw/zinc/04/68/33/134046833.db2.gz RLRFCVUEXVSBGK-VIFPVBQESA-N 1 2 228.311 1.849 20 0 BDADLO C[C@@H]1[N@H+](C[C@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026947 134057314 /nfs/dbraw/zinc/05/73/14/134057314.db2.gz GRMSEQRGCAHKAR-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1[N@@H+](C[C@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026947 134057315 /nfs/dbraw/zinc/05/73/15/134057315.db2.gz GRMSEQRGCAHKAR-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000336044660 134063090 /nfs/dbraw/zinc/06/30/90/134063090.db2.gz MELLNOOCXXCVMA-JTQLQIEISA-N 1 2 235.331 1.946 20 0 BDADLO Cn1cc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC000336044153 134063240 /nfs/dbraw/zinc/06/32/40/134063240.db2.gz MZUOEKIMVGYZHV-SECBINFHSA-N 1 2 245.286 1.202 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000336049926 134064668 /nfs/dbraw/zinc/06/46/68/134064668.db2.gz CZXJQKVLCTYFHK-RYUDHWBXSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)no1 ZINC000336056766 134066784 /nfs/dbraw/zinc/06/67/84/134066784.db2.gz BZKNNDKHLKBPGS-ZWNOBZJWSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)no1 ZINC000336056766 134066785 /nfs/dbraw/zinc/06/67/85/134066785.db2.gz BZKNNDKHLKBPGS-ZWNOBZJWSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)co1 ZINC000336063188 134069171 /nfs/dbraw/zinc/06/91/71/134069171.db2.gz GJAVKIGJGWDPJO-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)CF ZINC000336063571 134069474 /nfs/dbraw/zinc/06/94/74/134069474.db2.gz VXBSGDOGVFEKOZ-UHFFFAOYSA-N 1 2 225.267 1.682 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CO[C@H](C)C1 ZINC000336065931 134070532 /nfs/dbraw/zinc/07/05/32/134070532.db2.gz QUWVCVJIWCMCHN-NXEZZACHSA-N 1 2 220.272 1.175 20 0 BDADLO CC(C)=CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336081103 134075183 /nfs/dbraw/zinc/07/51/83/134075183.db2.gz JXKRJXFWYKTGHO-LLVKDONJSA-N 1 2 248.330 1.463 20 0 BDADLO CC(C)=CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336081104 134075202 /nfs/dbraw/zinc/07/52/02/134075202.db2.gz JXKRJXFWYKTGHO-NSHDSACASA-N 1 2 248.330 1.463 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)C(C)(F)F)cc[nH+]1 ZINC000336109714 134085784 /nfs/dbraw/zinc/08/57/84/134085784.db2.gz MJSSMLISGMOPES-MRVPVSSYSA-N 1 2 243.257 1.977 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cscn2)CC12CC2 ZINC000336109565 134085867 /nfs/dbraw/zinc/08/58/67/134085867.db2.gz RWQTWYCEKQFRGK-SECBINFHSA-N 1 2 210.302 1.100 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cscn2)CC12CC2 ZINC000336109565 134085868 /nfs/dbraw/zinc/08/58/68/134085868.db2.gz RWQTWYCEKQFRGK-SECBINFHSA-N 1 2 210.302 1.100 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCOC2(C)C)cc[nH+]1 ZINC000336109457 134085898 /nfs/dbraw/zinc/08/58/98/134085898.db2.gz FXADHRFPDORELT-LLVKDONJSA-N 1 2 249.314 1.501 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000336110057 134085936 /nfs/dbraw/zinc/08/59/36/134085936.db2.gz XRFPKWHPHJHKIE-QWRGUYRKSA-N 1 2 220.320 1.878 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000336110057 134085937 /nfs/dbraw/zinc/08/59/37/134085937.db2.gz XRFPKWHPHJHKIE-QWRGUYRKSA-N 1 2 220.320 1.878 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCOC2(C)C)cc[nH+]1 ZINC000336109458 134086052 /nfs/dbraw/zinc/08/60/52/134086052.db2.gz FXADHRFPDORELT-NSHDSACASA-N 1 2 249.314 1.501 20 0 BDADLO CCC[C@H]([NH2+]C(C)C)C(=O)N=c1cc(C)[nH][nH]1 ZINC000352167447 134090276 /nfs/dbraw/zinc/09/02/76/134090276.db2.gz BDPGUPBGXCHKHN-JTQLQIEISA-N 1 2 238.335 1.245 20 0 BDADLO Cc1[nH+]cn(Cc2nnc(C(C)(C)C)[nH]2)c1C ZINC000336136651 134096223 /nfs/dbraw/zinc/09/62/23/134096223.db2.gz JFOVLAUIYQUBLK-UHFFFAOYSA-N 1 2 233.319 1.964 20 0 BDADLO Cn1nnc(C[NH+]2CCC(C)(C3CC3)CC2)n1 ZINC000352187567 134099568 /nfs/dbraw/zinc/09/95/68/134099568.db2.gz CXUDTFGYXLCWBU-UHFFFAOYSA-N 1 2 235.335 1.222 20 0 BDADLO Cc1cc(C)c(NC(=O)N(C)CCO)c(C)[nH+]1 ZINC000336147284 134102512 /nfs/dbraw/zinc/10/25/12/134102512.db2.gz LYYDBMJTFNBHOR-UHFFFAOYSA-N 1 2 237.303 1.463 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000336155570 134105787 /nfs/dbraw/zinc/10/57/87/134105787.db2.gz RBHCEKZWQLJVQK-SNVBAGLBSA-N 1 2 247.298 1.890 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000336155570 134105788 /nfs/dbraw/zinc/10/57/88/134105788.db2.gz RBHCEKZWQLJVQK-SNVBAGLBSA-N 1 2 247.298 1.890 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000336162193 134111367 /nfs/dbraw/zinc/11/13/67/134111367.db2.gz CINKACOWECBBFX-ONGXEEELSA-N 1 2 234.299 1.429 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000336162191 134111580 /nfs/dbraw/zinc/11/15/80/134111580.db2.gz CINKACOWECBBFX-KOLCDFICSA-N 1 2 234.299 1.429 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336168394 134113945 /nfs/dbraw/zinc/11/39/45/134113945.db2.gz MXZGLRGHXYAHOG-SNVBAGLBSA-N 1 2 230.271 1.715 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000336178642 134117406 /nfs/dbraw/zinc/11/74/06/134117406.db2.gz YDZSRTJXENFMIQ-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000336178642 134117407 /nfs/dbraw/zinc/11/74/07/134117407.db2.gz YDZSRTJXENFMIQ-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000336213007 134135074 /nfs/dbraw/zinc/13/50/74/134135074.db2.gz ZTGIQNAIDABABV-PWSUYJOCSA-N 1 2 249.314 1.047 20 0 BDADLO CSC[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759727 134283290 /nfs/dbraw/zinc/28/32/90/134283290.db2.gz AWNKUAUEBMELAH-MRVPVSSYSA-N 1 2 227.333 1.068 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)CCO1 ZINC000179869676 134324296 /nfs/dbraw/zinc/32/42/96/134324296.db2.gz TYXCQARNFBMNGN-NSHDSACASA-N 1 2 237.347 1.859 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CCO1 ZINC000179869676 134324297 /nfs/dbraw/zinc/32/42/97/134324297.db2.gz TYXCQARNFBMNGN-NSHDSACASA-N 1 2 237.347 1.859 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000181042188 134333157 /nfs/dbraw/zinc/33/31/57/134333157.db2.gz BBIBPOKDDQMHIS-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000181042188 134333158 /nfs/dbraw/zinc/33/31/58/134333158.db2.gz BBIBPOKDDQMHIS-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO COCCCCC[N@H+](C)Cc1noc(C)n1 ZINC000181688254 134338689 /nfs/dbraw/zinc/33/86/89/134338689.db2.gz KXHYFNLQVBQDCS-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO COCCCCC[N@@H+](C)Cc1noc(C)n1 ZINC000181688254 134338690 /nfs/dbraw/zinc/33/86/90/134338690.db2.gz KXHYFNLQVBQDCS-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H]2CCSC2)no1 ZINC000182662193 134346603 /nfs/dbraw/zinc/34/66/03/134346603.db2.gz CDYYUFJQHKSFIZ-QMMMGPOBSA-N 1 2 243.332 1.153 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H]2CCSC2)no1 ZINC000182662193 134346604 /nfs/dbraw/zinc/34/66/04/134346604.db2.gz CDYYUFJQHKSFIZ-QMMMGPOBSA-N 1 2 243.332 1.153 20 0 BDADLO CCSCC[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183695843 134353187 /nfs/dbraw/zinc/35/31/87/134353187.db2.gz MVAYCLGQEOYQPJ-UWVGGRQHSA-N 1 2 233.377 1.917 20 0 BDADLO CC[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225427806 134353479 /nfs/dbraw/zinc/35/34/79/134353479.db2.gz QBAMMKMCYXTLRK-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000225427806 134353480 /nfs/dbraw/zinc/35/34/80/134353480.db2.gz QBAMMKMCYXTLRK-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185322775 134379965 /nfs/dbraw/zinc/37/99/65/134379965.db2.gz FJUALCQAMSMQKC-MRVPVSSYSA-N 1 2 240.253 1.239 20 0 BDADLO NC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185322775 134379966 /nfs/dbraw/zinc/37/99/66/134379966.db2.gz FJUALCQAMSMQKC-MRVPVSSYSA-N 1 2 240.253 1.239 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc(N2CCCC2)[nH+]cn1 ZINC000408109974 134395268 /nfs/dbraw/zinc/39/52/68/134395268.db2.gz JHUXUHFCVRYVBF-WDEREUQCSA-N 1 2 248.330 1.036 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc(N2CCCC2)nc[nH+]1 ZINC000408109974 134395269 /nfs/dbraw/zinc/39/52/69/134395269.db2.gz JHUXUHFCVRYVBF-WDEREUQCSA-N 1 2 248.330 1.036 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1OC[C@H]2CCC[C@H]12 ZINC000368093915 134502831 /nfs/dbraw/zinc/50/28/31/134502831.db2.gz NCDJNNKWBOPEPG-NTZNESFSSA-N 1 2 246.310 1.566 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@@H](C)O ZINC000191964476 134578301 /nfs/dbraw/zinc/57/83/01/134578301.db2.gz DYGMDHUZEXHYOD-MXWKQRLJSA-N 1 2 243.347 1.467 20 0 BDADLO CCC[C@H]([NH2+][C@H](COC)C1CC1)C(=O)OCC ZINC000136627173 134789532 /nfs/dbraw/zinc/78/95/32/134789532.db2.gz JSEMOQHAYPUAHC-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CSCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650742 134921767 /nfs/dbraw/zinc/92/17/67/134921767.db2.gz HHIWVUMBSWKCSV-UHFFFAOYSA-N 1 2 213.306 1.121 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc(Cl)c[nH]1 ZINC000070651576 135005748 /nfs/dbraw/zinc/00/57/48/135005748.db2.gz CAQSWIGKNYWHPK-UHFFFAOYSA-N 1 2 224.651 1.321 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000248420070 135008477 /nfs/dbraw/zinc/00/84/77/135008477.db2.gz LLYQCORCGYFCFM-NWDGAFQWSA-N 1 2 239.315 1.996 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000248420070 135008479 /nfs/dbraw/zinc/00/84/79/135008479.db2.gz LLYQCORCGYFCFM-NWDGAFQWSA-N 1 2 239.315 1.996 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N(C)C ZINC000070733130 135010844 /nfs/dbraw/zinc/01/08/44/135010844.db2.gz TZMVYYYNATUOMW-JGVFFNPUSA-N 1 2 227.333 1.270 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249321067 135042743 /nfs/dbraw/zinc/04/27/43/135042743.db2.gz LHJLDTGOBIVHOT-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249321067 135042745 /nfs/dbraw/zinc/04/27/45/135042745.db2.gz LHJLDTGOBIVHOT-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO F[C@@H]1C[NH2+][C@@H](c2nc(CC3CC3)no2)C1 ZINC000261708293 135111609 /nfs/dbraw/zinc/11/16/09/135111609.db2.gz IPDKNSSUJDGVCN-JGVFFNPUSA-N 1 2 211.240 1.395 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)[C@H](C)CO)C(=O)OCC ZINC000252954721 135117428 /nfs/dbraw/zinc/11/74/28/135117428.db2.gz QVXYCQWPPCTHHU-VWYCJHECSA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)C[C@@H](C)N(C)c1cc(C)[nH+]cn1 ZINC000259931340 135145245 /nfs/dbraw/zinc/14/52/45/135145245.db2.gz BEBSQOLRMXRQSG-SNVBAGLBSA-N 1 2 237.303 1.563 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)CC(C)(C)O ZINC000078747932 135150349 /nfs/dbraw/zinc/15/03/49/135150349.db2.gz BBADECHOJCCKFM-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)CC(C)(C)O ZINC000078747932 135150350 /nfs/dbraw/zinc/15/03/50/135150350.db2.gz BBADECHOJCCKFM-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CC(C)(C)O)no1 ZINC000078778437 135150905 /nfs/dbraw/zinc/15/09/05/135150905.db2.gz WNZIJHUIBBQMIP-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CC(C)(C)O)no1 ZINC000078778437 135150906 /nfs/dbraw/zinc/15/09/06/135150906.db2.gz WNZIJHUIBBQMIP-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC=CCC1 ZINC000084081827 135181403 /nfs/dbraw/zinc/18/14/03/135181403.db2.gz CHQVOHUHXVCUAW-SECBINFHSA-N 1 2 205.261 1.382 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC=CCC1 ZINC000084081827 135181404 /nfs/dbraw/zinc/18/14/04/135181404.db2.gz CHQVOHUHXVCUAW-SECBINFHSA-N 1 2 205.261 1.382 20 0 BDADLO CN(Cc1noc(C[NH3+])n1)C1CCCCCC1 ZINC000261541902 135181703 /nfs/dbraw/zinc/18/17/03/135181703.db2.gz MHBLUFWMIKMADR-UHFFFAOYSA-N 1 2 238.335 1.683 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)c(O)c1 ZINC000261553437 135192643 /nfs/dbraw/zinc/19/26/43/135192643.db2.gz SLICZVALYCUPNI-SECBINFHSA-N 1 2 238.312 1.302 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1CCOCC1 ZINC000078879972 135245260 /nfs/dbraw/zinc/24/52/60/135245260.db2.gz GSKZJFJNHCINRJ-UHFFFAOYSA-N 1 2 249.314 1.513 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366773492 135268525 /nfs/dbraw/zinc/26/85/25/135268525.db2.gz OJPLRRANVXLWKN-JQWIXIFHSA-N 1 2 247.342 1.834 20 0 BDADLO Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000342440873 135274597 /nfs/dbraw/zinc/27/45/97/135274597.db2.gz SFDZHFMANDFLHO-AOOOYVTPSA-N 1 2 205.261 1.153 20 0 BDADLO C[C@H]1CSC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000342517771 135285785 /nfs/dbraw/zinc/28/57/85/135285785.db2.gz XTMUWZBTUDNUEK-DTWKUNHWSA-N 1 2 239.344 1.210 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2cc[nH]n2)n1C ZINC000342779300 135317563 /nfs/dbraw/zinc/31/75/63/135317563.db2.gz KSSOVKXOCWFICQ-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CC[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000262777659 135318544 /nfs/dbraw/zinc/31/85/44/135318544.db2.gz KKTOEOLEHRDIGN-SECBINFHSA-N 1 2 248.330 1.070 20 0 BDADLO Cc1cnc(C[N@@H+]2CCS[C@@H](C)C2)n1C ZINC000342795054 135319460 /nfs/dbraw/zinc/31/94/60/135319460.db2.gz WAHQKTXSNWANCV-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@H+]2CCS[C@@H](C)C2)n1C ZINC000342795054 135319461 /nfs/dbraw/zinc/31/94/61/135319461.db2.gz WAHQKTXSNWANCV-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1c[nH+]c(CN2CCS[C@@H](C)C2)n1C ZINC000342795054 135319462 /nfs/dbraw/zinc/31/94/62/135319462.db2.gz WAHQKTXSNWANCV-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H](C)C2)n1C ZINC000342799038 135321216 /nfs/dbraw/zinc/32/12/16/135321216.db2.gz MJVARXJLKSHTNC-JTQLQIEISA-N 1 2 223.320 1.197 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H](C)C2)n1C ZINC000342799038 135321217 /nfs/dbraw/zinc/32/12/17/135321217.db2.gz MJVARXJLKSHTNC-JTQLQIEISA-N 1 2 223.320 1.197 20 0 BDADLO Cc1c[nH+]c(CN2CCOC[C@@H](C)C2)n1C ZINC000342799038 135321219 /nfs/dbraw/zinc/32/12/19/135321219.db2.gz MJVARXJLKSHTNC-JTQLQIEISA-N 1 2 223.320 1.197 20 0 BDADLO Cc1c[nH+]c(CN(C)C[C@@H]2CCCO2)n1C ZINC000342769477 135326080 /nfs/dbraw/zinc/32/60/80/135326080.db2.gz SCFZNAZEYOVVKT-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCO2)n1C ZINC000342769477 135326081 /nfs/dbraw/zinc/32/60/81/135326081.db2.gz SCFZNAZEYOVVKT-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCO2)n1C ZINC000342769477 135326082 /nfs/dbraw/zinc/32/60/82/135326082.db2.gz SCFZNAZEYOVVKT-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CNc2cccc(CO)c2)n1C ZINC000342767820 135326162 /nfs/dbraw/zinc/32/61/62/135326162.db2.gz FYWRIBVATDNALC-UHFFFAOYSA-N 1 2 231.299 1.833 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]cc(C)n2C)C[C@@H](C)O1 ZINC000342774388 135327787 /nfs/dbraw/zinc/32/77/87/135327787.db2.gz DFDIFKDIUZNZAR-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCCCC1 ZINC000334226448 135330181 /nfs/dbraw/zinc/33/01/81/135330181.db2.gz FMFFRTJDYAVULG-SNVBAGLBSA-N 1 2 233.315 1.842 20 0 BDADLO O=C(NCCC1CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263090029 135331701 /nfs/dbraw/zinc/33/17/01/135331701.db2.gz YJKOSPONYMDNIH-JTQLQIEISA-N 1 2 246.301 1.680 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263085687 135332032 /nfs/dbraw/zinc/33/20/32/135332032.db2.gz XWHQOZBWWZTHDG-VIFPVBQESA-N 1 2 232.274 1.242 20 0 BDADLO CCCN(CCC)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263106938 135333180 /nfs/dbraw/zinc/33/31/80/135333180.db2.gz ZYVXZCKIIFKKHZ-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)[nH]1 ZINC000334308677 135349777 /nfs/dbraw/zinc/34/97/77/135349777.db2.gz ICCGHBLUOPNFCE-BDAKNGLRSA-N 1 2 208.309 1.768 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@@H]2C)[nH]1 ZINC000334308677 135349779 /nfs/dbraw/zinc/34/97/79/135349779.db2.gz ICCGHBLUOPNFCE-BDAKNGLRSA-N 1 2 208.309 1.768 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC12CCCC2 ZINC000334330399 135354970 /nfs/dbraw/zinc/35/49/70/135354970.db2.gz KKDVXJIRJYYMOT-LLVKDONJSA-N 1 2 247.342 1.959 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)c1cc[nH+]c(C2CC2)n1 ZINC000269992454 135365040 /nfs/dbraw/zinc/36/50/40/135365040.db2.gz PLCDNNJHXMHARS-NWDGAFQWSA-N 1 2 247.342 1.951 20 0 BDADLO Cc1cc(NC(=O)c2cnns2)cc[nH+]1 ZINC000080157679 135367615 /nfs/dbraw/zinc/36/76/15/135367615.db2.gz KXGBJJPAXKSLJZ-UHFFFAOYSA-N 1 2 220.257 1.494 20 0 BDADLO CC[NH+]1CCN(C(=O)c2occ3c2CCC3)CC1 ZINC000334350961 135368587 /nfs/dbraw/zinc/36/85/87/135368587.db2.gz VZFUZYYXWWLPHF-UHFFFAOYSA-N 1 2 248.326 1.546 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@@H+]1CCC=C(F)C1 ZINC000334360394 135372851 /nfs/dbraw/zinc/37/28/51/135372851.db2.gz YXNHUWLPWLJOHR-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@H+]1CCC=C(F)C1 ZINC000334360394 135372852 /nfs/dbraw/zinc/37/28/52/135372852.db2.gz YXNHUWLPWLJOHR-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N1CCC=C(F)C1 ZINC000334360394 135372854 /nfs/dbraw/zinc/37/28/54/135372854.db2.gz YXNHUWLPWLJOHR-NSHDSACASA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000334386681 135383217 /nfs/dbraw/zinc/38/32/17/135383217.db2.gz OASALHRLZBKKFD-MNOVXSKESA-N 1 2 233.315 1.314 20 0 BDADLO CN(c1[nH+]c2cccc(F)c2n1C)[C@H]1CCOC1 ZINC000334390086 135383792 /nfs/dbraw/zinc/38/37/92/135383792.db2.gz SOUMDIVJLCCAEG-VIFPVBQESA-N 1 2 249.289 1.938 20 0 BDADLO C[C@H](O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000075777303 135391079 /nfs/dbraw/zinc/39/10/79/135391079.db2.gz NLNHDFSSXDGMIA-VIFPVBQESA-N 1 2 217.309 1.031 20 0 BDADLO C[C@H](O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000075777303 135391081 /nfs/dbraw/zinc/39/10/81/135391081.db2.gz NLNHDFSSXDGMIA-VIFPVBQESA-N 1 2 217.309 1.031 20 0 BDADLO CCn1ccnc1C[N@H+](C)CC[C@H](C)O ZINC000075779884 135391420 /nfs/dbraw/zinc/39/14/20/135391420.db2.gz ORIWMMRWKAJNHT-JTQLQIEISA-N 1 2 211.309 1.106 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CC[C@H](C)O ZINC000075779884 135391421 /nfs/dbraw/zinc/39/14/21/135391421.db2.gz ORIWMMRWKAJNHT-JTQLQIEISA-N 1 2 211.309 1.106 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334457941 135415425 /nfs/dbraw/zinc/41/54/25/135415425.db2.gz JFFIGERATGLFBQ-ZWNOBZJWSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334457941 135415427 /nfs/dbraw/zinc/41/54/27/135415427.db2.gz JFFIGERATGLFBQ-ZWNOBZJWSA-N 1 2 242.338 1.868 20 0 BDADLO COc1cccc(C[NH2+]Cc2ncn(C)n2)c1 ZINC000092851842 135584948 /nfs/dbraw/zinc/58/49/48/135584948.db2.gz DVNZMAKHRWSRJV-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000096785909 135628030 /nfs/dbraw/zinc/62/80/30/135628030.db2.gz YPYWTJPPEWKECY-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO C[NH2+]Cc1noc([C@]2(C)CC=CCC2)n1 ZINC000334883307 135848203 /nfs/dbraw/zinc/84/82/03/135848203.db2.gz VUSUIROECYRQQX-LLVKDONJSA-N 1 2 207.277 1.787 20 0 BDADLO CCCCO[C@H]1C[C@H]([NH2+]CC(=O)OC)C1(C)C ZINC000347710934 136002431 /nfs/dbraw/zinc/00/24/31/136002431.db2.gz XXUCPRGAOSUTHT-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CCCCO[C@H]1C[C@@H]([NH2+]CC(=O)OC)C1(C)C ZINC000347710933 136002447 /nfs/dbraw/zinc/00/24/47/136002447.db2.gz XXUCPRGAOSUTHT-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347729299 136004099 /nfs/dbraw/zinc/00/40/99/136004099.db2.gz WTBDXBXDOLYGLM-VIFPVBQESA-N 1 2 231.246 1.499 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347729299 136004100 /nfs/dbraw/zinc/00/41/00/136004100.db2.gz WTBDXBXDOLYGLM-VIFPVBQESA-N 1 2 231.246 1.499 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000347688815 136005072 /nfs/dbraw/zinc/00/50/72/136005072.db2.gz RNJGFBRAZSKAFS-SECBINFHSA-N 1 2 231.246 1.235 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000347688815 136005073 /nfs/dbraw/zinc/00/50/73/136005073.db2.gz RNJGFBRAZSKAFS-SECBINFHSA-N 1 2 231.246 1.235 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000347696067 136006452 /nfs/dbraw/zinc/00/64/52/136006452.db2.gz ZKURNFRGXQCASQ-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000347696067 136006453 /nfs/dbraw/zinc/00/64/53/136006453.db2.gz ZKURNFRGXQCASQ-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO CC(C)n1cc(C[N@H+](C)[C@@H]2CCOC2)nn1 ZINC000347785489 136009688 /nfs/dbraw/zinc/00/96/88/136009688.db2.gz QBYHBLWTBWEEHD-LLVKDONJSA-N 1 2 224.308 1.080 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)[C@@H]2CCOC2)nn1 ZINC000347785489 136009689 /nfs/dbraw/zinc/00/96/89/136009689.db2.gz QBYHBLWTBWEEHD-LLVKDONJSA-N 1 2 224.308 1.080 20 0 BDADLO CC[C@@H](C)[C@H](NCCn1cc[nH+]c1)C(=O)OC ZINC000348009073 136021245 /nfs/dbraw/zinc/02/12/45/136021245.db2.gz RFSPGSYEOHPXOW-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO CCOC(=O)CC[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000347992457 136023321 /nfs/dbraw/zinc/02/33/21/136023321.db2.gz AWYXYMQTANXGLP-KOLCDFICSA-N 1 2 245.319 1.117 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCC=C(F)C2)c1 ZINC000335317101 136025156 /nfs/dbraw/zinc/02/51/56/136025156.db2.gz YLUNWTTTWNJUSO-UHFFFAOYSA-N 1 2 209.268 1.751 20 0 BDADLO Cc1cnn(CC[N@H+]2CCC=C(F)C2)c1 ZINC000335317101 136025157 /nfs/dbraw/zinc/02/51/57/136025157.db2.gz YLUNWTTTWNJUSO-UHFFFAOYSA-N 1 2 209.268 1.751 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335309183 136028132 /nfs/dbraw/zinc/02/81/32/136028132.db2.gz MFGVRHANZXQKBK-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO CCC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000335311768 136030066 /nfs/dbraw/zinc/03/00/66/136030066.db2.gz GIAUMSCNPVPOKH-QMMMGPOBSA-N 1 2 211.265 1.365 20 0 BDADLO CCC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000335311768 136030067 /nfs/dbraw/zinc/03/00/67/136030067.db2.gz GIAUMSCNPVPOKH-QMMMGPOBSA-N 1 2 211.265 1.365 20 0 BDADLO CC(C)n1cc(C[N@H+](C)CC2(CO)CC2)nn1 ZINC000348219499 136047336 /nfs/dbraw/zinc/04/73/36/136047336.db2.gz ZONWXYTVOFXDCD-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)CC2(CO)CC2)nn1 ZINC000348219499 136047337 /nfs/dbraw/zinc/04/73/37/136047337.db2.gz ZONWXYTVOFXDCD-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO COC(=O)C[N@H+](C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000348226711 136048321 /nfs/dbraw/zinc/04/83/21/136048321.db2.gz IGIGVORWISQFLL-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)C[N@@H+](C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000348226711 136048322 /nfs/dbraw/zinc/04/83/22/136048322.db2.gz IGIGVORWISQFLL-LLVKDONJSA-N 1 2 241.331 1.581 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000335328502 136053159 /nfs/dbraw/zinc/05/31/59/136053159.db2.gz IERSFDZBRZVUPL-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000335328502 136053160 /nfs/dbraw/zinc/05/31/60/136053160.db2.gz IERSFDZBRZVUPL-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000335328502 136053161 /nfs/dbraw/zinc/05/31/61/136053161.db2.gz IERSFDZBRZVUPL-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000335328502 136053162 /nfs/dbraw/zinc/05/31/62/136053162.db2.gz IERSFDZBRZVUPL-OLZOCXBDSA-N 1 2 235.331 1.862 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335332805 136054420 /nfs/dbraw/zinc/05/44/20/136054420.db2.gz LSFCMQBXRBKFSV-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335352335 136069845 /nfs/dbraw/zinc/06/98/45/136069845.db2.gz MNZOPARAEYLCDT-NSHDSACASA-N 1 2 235.331 1.782 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1coc(C)c1 ZINC000348353380 136072108 /nfs/dbraw/zinc/07/21/08/136072108.db2.gz ZYKJHNKHPOKQGA-UHFFFAOYSA-N 1 2 246.266 1.922 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC(=O)C2)cc[nH+]1 ZINC000335361278 136080756 /nfs/dbraw/zinc/08/07/56/136080756.db2.gz XHSZYYOPKFFDOZ-VIFPVBQESA-N 1 2 218.256 1.120 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC(=O)C2)cc[nH+]1 ZINC000335361275 136080920 /nfs/dbraw/zinc/08/09/20/136080920.db2.gz XHSZYYOPKFFDOZ-SECBINFHSA-N 1 2 218.256 1.120 20 0 BDADLO CC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335380969 136087249 /nfs/dbraw/zinc/08/72/49/136087249.db2.gz IIYWVXIRVDXHOA-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335380969 136087250 /nfs/dbraw/zinc/08/72/50/136087250.db2.gz IIYWVXIRVDXHOA-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000335383621 136088012 /nfs/dbraw/zinc/08/80/12/136088012.db2.gz FYABVWWJENBWAR-GHMZBOCLSA-N 1 2 249.314 1.501 20 0 BDADLO CC1(C(N)=O)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335392060 136091048 /nfs/dbraw/zinc/09/10/48/136091048.db2.gz ZFSYSUZGHSBZSU-UHFFFAOYSA-N 1 2 230.271 1.924 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cncc(F)c2)C1 ZINC000335395396 136092327 /nfs/dbraw/zinc/09/23/27/136092327.db2.gz LUSHKQWMVHTCIW-UHFFFAOYSA-N 1 2 223.251 1.578 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000335396230 136092408 /nfs/dbraw/zinc/09/24/08/136092408.db2.gz UDAKVQKQBDNSDM-SNVBAGLBSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000335396230 136092409 /nfs/dbraw/zinc/09/24/09/136092409.db2.gz UDAKVQKQBDNSDM-SNVBAGLBSA-N 1 2 241.722 1.030 20 0 BDADLO Cc1cnc(C[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000335396018 136092584 /nfs/dbraw/zinc/09/25/84/136092584.db2.gz GDLXPSIOTDBYRO-UHFFFAOYSA-N 1 2 209.249 1.340 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335560344 136105901 /nfs/dbraw/zinc/10/59/01/136105901.db2.gz SXJVHLAGWBDAIZ-ZYHUDNBSSA-N 1 2 247.342 1.702 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CC12CC2 ZINC000335567019 136107911 /nfs/dbraw/zinc/10/79/11/136107911.db2.gz IESPJHRUDUNWIP-NSHDSACASA-N 1 2 241.294 1.751 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649538510 397929222 /nfs/dbraw/zinc/92/92/22/397929222.db2.gz PJMDPKDKURALMA-SNVBAGLBSA-N 1 2 237.372 1.767 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649538510 397929228 /nfs/dbraw/zinc/92/92/28/397929228.db2.gz PJMDPKDKURALMA-SNVBAGLBSA-N 1 2 237.372 1.767 20 0 BDADLO COc1cccc2c1C[N@H+](Cc1cn[nH]n1)CC2 ZINC000650109746 397932046 /nfs/dbraw/zinc/93/20/46/397932046.db2.gz IBMMIYMVPWRLDZ-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc2c1C[N@@H+](Cc1cn[nH]n1)CC2 ZINC000650109746 397932049 /nfs/dbraw/zinc/93/20/49/397932049.db2.gz IBMMIYMVPWRLDZ-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc2c1C[N@H+](Cc1c[nH]nn1)CC2 ZINC000650109746 397932055 /nfs/dbraw/zinc/93/20/55/397932055.db2.gz IBMMIYMVPWRLDZ-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc2c1C[N@@H+](Cc1c[nH]nn1)CC2 ZINC000650109746 397932059 /nfs/dbraw/zinc/93/20/59/397932059.db2.gz IBMMIYMVPWRLDZ-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cc1cncc(CC[N@@H+](C)Cc2nccs2)n1 ZINC000649546441 397937996 /nfs/dbraw/zinc/93/79/96/397937996.db2.gz PYGRYTYMSSGAJC-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1cncc(CC[N@H+](C)Cc2nccs2)n1 ZINC000649546441 397937999 /nfs/dbraw/zinc/93/79/99/397937999.db2.gz PYGRYTYMSSGAJC-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ccc(C)nn2)CCO1 ZINC000414442296 397941905 /nfs/dbraw/zinc/94/19/05/397941905.db2.gz XOZTVTRAXSWLLM-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ccc(C)nn2)CCO1 ZINC000414442296 397941910 /nfs/dbraw/zinc/94/19/10/397941910.db2.gz XOZTVTRAXSWLLM-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO C[C@H]1[N@H+](Cc2cc3n(n2)CCC3)CCOC1(C)C ZINC000649551969 397945808 /nfs/dbraw/zinc/94/58/08/397945808.db2.gz SCDSAWXJJFSMAX-LLVKDONJSA-N 1 2 249.358 1.829 20 0 BDADLO C[C@H]1[N@@H+](Cc2cc3n(n2)CCC3)CCOC1(C)C ZINC000649551969 397945812 /nfs/dbraw/zinc/94/58/12/397945812.db2.gz SCDSAWXJJFSMAX-LLVKDONJSA-N 1 2 249.358 1.829 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000650186655 397967275 /nfs/dbraw/zinc/96/72/75/397967275.db2.gz YQJQWUALAQESMO-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc(C[N@H+]2CC[C@@H](O)[C@H]2C)n1 ZINC000650186655 397967280 /nfs/dbraw/zinc/96/72/80/397967280.db2.gz YQJQWUALAQESMO-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO COc1nccnc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000449231728 397952028 /nfs/dbraw/zinc/95/20/28/397952028.db2.gz FUCHPNFPCOEVBP-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COc1nccnc1C[N@H+]1CCOCC2(CC2)C1 ZINC000449231728 397952031 /nfs/dbraw/zinc/95/20/31/397952031.db2.gz FUCHPNFPCOEVBP-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CCCOC1 ZINC000414482563 397954049 /nfs/dbraw/zinc/95/40/49/397954049.db2.gz DJTOULHNZFCISK-MNOVXSKESA-N 1 2 227.304 1.097 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000649566487 397955587 /nfs/dbraw/zinc/95/55/87/397955587.db2.gz MATGSJNPADNJJF-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000649566487 397955592 /nfs/dbraw/zinc/95/55/92/397955592.db2.gz MATGSJNPADNJJF-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCCCO ZINC000193594209 397896741 /nfs/dbraw/zinc/89/67/41/397896741.db2.gz XLGLMINEKNYGRX-UHFFFAOYSA-N 1 2 223.276 1.284 20 0 BDADLO CCc1nocc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000590605219 397905928 /nfs/dbraw/zinc/90/59/28/397905928.db2.gz FADZFODDHGOAQG-JDNHERCYSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1nocc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000590605219 397905931 /nfs/dbraw/zinc/90/59/31/397905931.db2.gz FADZFODDHGOAQG-JDNHERCYSA-N 1 2 244.360 1.436 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@@H](C)O1 ZINC000649528979 397920992 /nfs/dbraw/zinc/92/09/92/397920992.db2.gz ZVYHVUAAICWPCC-RISCZKNCSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@@H](C)O1 ZINC000649528979 397920998 /nfs/dbraw/zinc/92/09/98/397920998.db2.gz ZVYHVUAAICWPCC-RISCZKNCSA-N 1 2 249.358 1.829 20 0 BDADLO O[C@@H]1COC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000323140177 398001656 /nfs/dbraw/zinc/00/16/56/398001656.db2.gz XGQOBSRGZQFRTO-JGVFFNPUSA-N 1 2 248.204 1.272 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@H](F)C1 ZINC000649621596 398004619 /nfs/dbraw/zinc/00/46/19/398004619.db2.gz HEURUNRJBHFACA-ZETCQYMHSA-N 1 2 201.270 1.390 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@H](F)C1 ZINC000649621596 398004620 /nfs/dbraw/zinc/00/46/20/398004620.db2.gz HEURUNRJBHFACA-ZETCQYMHSA-N 1 2 201.270 1.390 20 0 BDADLO c1c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn2c1CCC2 ZINC000649627741 398008833 /nfs/dbraw/zinc/00/88/33/398008833.db2.gz SZVWWEIJHFQFHH-RYUDHWBXSA-N 1 2 235.356 1.519 20 0 BDADLO c1c(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn2c1CCC2 ZINC000649627741 398008837 /nfs/dbraw/zinc/00/88/37/398008837.db2.gz SZVWWEIJHFQFHH-RYUDHWBXSA-N 1 2 235.356 1.519 20 0 BDADLO COC(=O)[C@H]1C[N@H+](CC(F)F)CC12CCC2 ZINC000373176559 398016614 /nfs/dbraw/zinc/01/66/14/398016614.db2.gz BXKLMBGRHFCCBK-MRVPVSSYSA-N 1 2 233.258 1.527 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](CC(F)F)CC12CCC2 ZINC000373176559 398016619 /nfs/dbraw/zinc/01/66/19/398016619.db2.gz BXKLMBGRHFCCBK-MRVPVSSYSA-N 1 2 233.258 1.527 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC23CCCC3)on1 ZINC000649656553 398027221 /nfs/dbraw/zinc/02/72/21/398027221.db2.gz SFSASZYRFNDPJP-UHFFFAOYSA-N 1 2 249.314 1.940 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC23CCCC3)on1 ZINC000649656553 398027225 /nfs/dbraw/zinc/02/72/25/398027225.db2.gz SFSASZYRFNDPJP-UHFFFAOYSA-N 1 2 249.314 1.940 20 0 BDADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1cn[nH]c1 ZINC000649585220 397973017 /nfs/dbraw/zinc/97/30/17/397973017.db2.gz PASNLVOZJIFERX-SECBINFHSA-N 1 2 231.303 1.403 20 0 BDADLO FC1(F)CCCN(CCn2cc[nH+]c2)C1 ZINC000649695080 398043001 /nfs/dbraw/zinc/04/30/01/398043001.db2.gz GVBGLNATWNWQFG-UHFFFAOYSA-N 1 2 215.247 1.614 20 0 BDADLO FC1(F)CCC[N@@H+]([C@H]2CCCOC2)C1 ZINC000649694950 398043044 /nfs/dbraw/zinc/04/30/44/398043044.db2.gz ARRLSPSAJDYFTP-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CCC[N@H+]([C@H]2CCCOC2)C1 ZINC000649694950 398043046 /nfs/dbraw/zinc/04/30/46/398043046.db2.gz ARRLSPSAJDYFTP-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1csc(C)n1 ZINC000272756113 397985116 /nfs/dbraw/zinc/98/51/16/397985116.db2.gz BHGUETDYUJRLMR-QMMMGPOBSA-N 1 2 214.334 1.918 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1csc(C)n1 ZINC000272756113 397985118 /nfs/dbraw/zinc/98/51/18/397985118.db2.gz BHGUETDYUJRLMR-QMMMGPOBSA-N 1 2 214.334 1.918 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000365048892 397987412 /nfs/dbraw/zinc/98/74/12/397987412.db2.gz VUGPJTBVXPJWIL-WDEREUQCSA-N 1 2 246.314 1.525 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000353174731 397988130 /nfs/dbraw/zinc/98/81/30/397988130.db2.gz QFSOBYNRDKADHS-WCQYABFASA-N 1 2 237.347 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000353174731 397988131 /nfs/dbraw/zinc/98/81/31/397988131.db2.gz QFSOBYNRDKADHS-WCQYABFASA-N 1 2 237.347 1.701 20 0 BDADLO CCc1ccc(CNc2c[nH]c[nH+]2)cn1 ZINC000309060591 398065498 /nfs/dbraw/zinc/06/54/98/398065498.db2.gz WIQQXDHOZNVJLS-UHFFFAOYSA-N 1 2 202.261 1.979 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC(C)C)[C@H](C)CO1 ZINC000649730391 398067889 /nfs/dbraw/zinc/06/78/89/398067889.db2.gz QVSHFXNUMCUBPC-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)[C@H](C)CO1 ZINC000649730391 398067890 /nfs/dbraw/zinc/06/78/90/398067890.db2.gz QVSHFXNUMCUBPC-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C)[C@H](C)CO1 ZINC000649732402 398072549 /nfs/dbraw/zinc/07/25/49/398072549.db2.gz WYZOVRPEDREPQN-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)nc2)[C@@H](C)CO1 ZINC000649734977 398073483 /nfs/dbraw/zinc/07/34/83/398073483.db2.gz DHVLUAYZZOAVRF-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)[C@@H](C)CO1 ZINC000649734977 398073486 /nfs/dbraw/zinc/07/34/86/398073486.db2.gz DHVLUAYZZOAVRF-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(C)n2)[C@@H](C)CO1 ZINC000649737438 398075500 /nfs/dbraw/zinc/07/55/00/398075500.db2.gz ZNEMCIVMUAICGT-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(C)n2)[C@@H](C)CO1 ZINC000649737438 398075501 /nfs/dbraw/zinc/07/55/01/398075501.db2.gz ZNEMCIVMUAICGT-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CO[C@](C)(C[N@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000638096273 398075697 /nfs/dbraw/zinc/07/56/97/398075697.db2.gz GZYVEMTWCAIYEY-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@](C)(C[N@@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000638096273 398075704 /nfs/dbraw/zinc/07/57/04/398075704.db2.gz GZYVEMTWCAIYEY-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(C)n2)[C@H](C)CO1 ZINC000649737439 398076116 /nfs/dbraw/zinc/07/61/16/398076116.db2.gz ZNEMCIVMUAICGT-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(C)n2)[C@H](C)CO1 ZINC000649737439 398076119 /nfs/dbraw/zinc/07/61/19/398076119.db2.gz ZNEMCIVMUAICGT-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000649736407 398077575 /nfs/dbraw/zinc/07/75/75/398077575.db2.gz ZYGLDRPANLKCKA-NWDGAFQWSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC000649736407 398077577 /nfs/dbraw/zinc/07/75/77/398077577.db2.gz ZYGLDRPANLKCKA-NWDGAFQWSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC000649736408 398077879 /nfs/dbraw/zinc/07/78/79/398077879.db2.gz ZYGLDRPANLKCKA-RYUDHWBXSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC000649736408 398077883 /nfs/dbraw/zinc/07/78/83/398077883.db2.gz ZYGLDRPANLKCKA-RYUDHWBXSA-N 1 2 249.310 1.547 20 0 BDADLO CC[N@H+](Cc1ncccn1)[C@H]1CCCOC1 ZINC000649754048 398084180 /nfs/dbraw/zinc/08/41/80/398084180.db2.gz AULSDRHBZJXRBX-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO CC[N@@H+](Cc1ncccn1)[C@H]1CCCOC1 ZINC000649754048 398084182 /nfs/dbraw/zinc/08/41/82/398084182.db2.gz AULSDRHBZJXRBX-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736307 398095918 /nfs/dbraw/zinc/09/59/18/398095918.db2.gz HPUZLMGMMALDKD-VHSXEESVSA-N 1 2 235.331 1.977 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736307 398095922 /nfs/dbraw/zinc/09/59/22/398095922.db2.gz HPUZLMGMMALDKD-VHSXEESVSA-N 1 2 235.331 1.977 20 0 BDADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccccc1 ZINC000116285421 398090203 /nfs/dbraw/zinc/09/02/03/398090203.db2.gz UTQKXYNGFNGDOP-QWHCGFSZSA-N 1 2 249.310 1.449 20 0 BDADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccccc1 ZINC000116285421 398090204 /nfs/dbraw/zinc/09/02/04/398090204.db2.gz UTQKXYNGFNGDOP-QWHCGFSZSA-N 1 2 249.310 1.449 20 0 BDADLO C[N@H+](CCO)Cc1noc(-c2ccsc2)n1 ZINC000050104606 398053502 /nfs/dbraw/zinc/05/35/02/398053502.db2.gz AKOMEHPAPVBYKJ-UHFFFAOYSA-N 1 2 239.300 1.222 20 0 BDADLO C[N@@H+](CCO)Cc1noc(-c2ccsc2)n1 ZINC000050104606 398053505 /nfs/dbraw/zinc/05/35/05/398053505.db2.gz AKOMEHPAPVBYKJ-UHFFFAOYSA-N 1 2 239.300 1.222 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1CC3(CC3)C1)CC2 ZINC000613400988 398098392 /nfs/dbraw/zinc/09/83/92/398098392.db2.gz HFHJIQQSFICEHQ-UHFFFAOYSA-N 1 2 245.326 1.724 20 0 BDADLO Cc1nc(C[N@H+](C)CC[C@H]2CCCO2)no1 ZINC000191059081 398100909 /nfs/dbraw/zinc/10/09/09/398100909.db2.gz XJXFHLMYWQSGGJ-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(C[N@@H+](C)CC[C@H]2CCCO2)no1 ZINC000191059081 398100910 /nfs/dbraw/zinc/10/09/10/398100910.db2.gz XJXFHLMYWQSGGJ-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(NCC2CCCCCC2)nc(N)[nH+]1 ZINC000389504601 398103845 /nfs/dbraw/zinc/10/38/45/398103845.db2.gz XNVBNHXUZCKYIO-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO Cc1nc(N)nc(NCC2CCCCCC2)[nH+]1 ZINC000389504601 398103847 /nfs/dbraw/zinc/10/38/47/398103847.db2.gz XNVBNHXUZCKYIO-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO C[C@@H](CO)C1CC[NH+](Cc2csnn2)CC1 ZINC000649798780 398107662 /nfs/dbraw/zinc/10/76/62/398107662.db2.gz HUJDTQBTCOZMMQ-VIFPVBQESA-N 1 2 241.360 1.379 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CC3(F)F)CC2)no1 ZINC000649776104 398098096 /nfs/dbraw/zinc/09/80/96/398098096.db2.gz DHMOFDVVYIHABZ-UHFFFAOYSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1cc(NCc2cccnn2)nc[nH+]1 ZINC000235858968 398117547 /nfs/dbraw/zinc/11/75/47/398117547.db2.gz TXCRAQLIXFWFJX-UHFFFAOYSA-N 1 2 201.233 1.187 20 0 BDADLO C[C@@H](CO)C1CC[NH+](CC(F)F)CC1 ZINC000649799305 398109324 /nfs/dbraw/zinc/10/93/24/398109324.db2.gz UMBZFSXSLJUEED-QMMMGPOBSA-N 1 2 207.264 1.592 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295049259 398131659 /nfs/dbraw/zinc/13/16/59/398131659.db2.gz BACOANFYEYPTFX-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295049259 398131660 /nfs/dbraw/zinc/13/16/60/398131660.db2.gz BACOANFYEYPTFX-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649211431 398129427 /nfs/dbraw/zinc/12/94/27/398129427.db2.gz KVHCGWPUPWNSJJ-NEPJUHHUSA-N 1 2 249.358 1.950 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649213711 398131033 /nfs/dbraw/zinc/13/10/33/398131033.db2.gz JJNWWIYEJAUYAL-SNVBAGLBSA-N 1 2 231.299 1.280 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(C2CC2)cn1 ZINC000650344181 398131352 /nfs/dbraw/zinc/13/13/52/398131352.db2.gz ZUNWPZXMOHNSMO-UHFFFAOYSA-N 1 2 202.261 1.542 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1csnn1 ZINC000398239506 322866906 /nfs/dbraw/zinc/86/69/06/322866906.db2.gz NVOXDBQBGTUONX-ZETCQYMHSA-N 1 2 242.348 1.103 20 0 BDADLO CC(C)NC(=O)OC1C[NH+](Cc2cc[nH]c2)C1 ZINC000297525909 167080313 /nfs/dbraw/zinc/08/03/13/167080313.db2.gz YSEVBIQZEZFDPQ-UHFFFAOYSA-N 1 2 237.303 1.334 20 0 BDADLO O=C([C@H]1CC12CCCC2)N1CC(n2cc[nH+]c2)C1 ZINC000530622322 322887781 /nfs/dbraw/zinc/88/77/81/322887781.db2.gz NPQBCHYEUNHTMB-GFCCVEGCSA-N 1 2 245.326 1.847 20 0 BDADLO CCc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1O ZINC000674361022 487565302 /nfs/dbraw/zinc/56/53/02/487565302.db2.gz DKVCTMKNCGNDOQ-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CCc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1O ZINC000674361022 487565308 /nfs/dbraw/zinc/56/53/08/487565308.db2.gz DKVCTMKNCGNDOQ-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CCn1cc(C[NH2+]Cc2cccnc2C)nn1 ZINC000404459795 487569734 /nfs/dbraw/zinc/56/97/34/487569734.db2.gz QAFBIRXUESXTBD-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000670989323 487573433 /nfs/dbraw/zinc/57/34/33/487573433.db2.gz QALQRTRUWMNNBL-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000670989323 487573435 /nfs/dbraw/zinc/57/34/35/487573435.db2.gz QALQRTRUWMNNBL-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccncc1 ZINC000527527946 487574523 /nfs/dbraw/zinc/57/45/23/487574523.db2.gz DLHAEYZXXYUROU-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccncc1 ZINC000527527946 487574527 /nfs/dbraw/zinc/57/45/27/487574527.db2.gz DLHAEYZXXYUROU-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCSC1 ZINC000685752619 487575966 /nfs/dbraw/zinc/57/59/66/487575966.db2.gz YZSGYISLLWNGBP-QMMMGPOBSA-N 1 2 225.317 1.169 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCSC1 ZINC000685752619 487575972 /nfs/dbraw/zinc/57/59/72/487575972.db2.gz YZSGYISLLWNGBP-QMMMGPOBSA-N 1 2 225.317 1.169 20 0 BDADLO CC(C)OCCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330559266 167217349 /nfs/dbraw/zinc/21/73/49/167217349.db2.gz IQRPXIIEIPGCDZ-MNOVXSKESA-N 1 2 244.335 1.426 20 0 BDADLO CC(C)OCCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330559266 167217353 /nfs/dbraw/zinc/21/73/53/167217353.db2.gz IQRPXIIEIPGCDZ-MNOVXSKESA-N 1 2 244.335 1.426 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653811350 487584651 /nfs/dbraw/zinc/58/46/51/487584651.db2.gz FRNLFHYBBJSPJX-ZDUSSCGKSA-N 1 2 249.358 1.954 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653811350 487584656 /nfs/dbraw/zinc/58/46/56/487584656.db2.gz FRNLFHYBBJSPJX-ZDUSSCGKSA-N 1 2 249.358 1.954 20 0 BDADLO CCC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000036804866 487590019 /nfs/dbraw/zinc/59/00/19/487590019.db2.gz YSFNQFHXHOZIGT-QMMMGPOBSA-N 1 2 219.292 1.964 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667493980 487591372 /nfs/dbraw/zinc/59/13/72/487591372.db2.gz JSIVXBVGGAJKLH-GFCCVEGCSA-N 1 2 235.331 1.440 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667493980 487591382 /nfs/dbraw/zinc/59/13/82/487591382.db2.gz JSIVXBVGGAJKLH-GFCCVEGCSA-N 1 2 235.331 1.440 20 0 BDADLO CCc1noc(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000680418876 487591787 /nfs/dbraw/zinc/59/17/87/487591787.db2.gz MYFBTOFUSVYNAE-QMMMGPOBSA-N 1 2 235.291 1.216 20 0 BDADLO Cc1cccc(CCNc2nnc(C)c(C)n2)[nH+]1 ZINC000530429692 487598758 /nfs/dbraw/zinc/59/87/58/487598758.db2.gz BNLUHWNMMHIBBY-UHFFFAOYSA-N 1 2 243.314 1.268 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCCO1 ZINC000653873289 487600000 /nfs/dbraw/zinc/60/00/00/487600000.db2.gz ONAWZKKTNBVOEP-NWDGAFQWSA-N 1 2 223.320 1.847 20 0 BDADLO C[C@@H](CC(=O)NC(C)(C)C)n1cc[nH+]c1 ZINC000556686747 322919393 /nfs/dbraw/zinc/91/93/93/322919393.db2.gz PVYREKSQHXPQHS-VIFPVBQESA-N 1 2 209.293 1.749 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335201773 487607540 /nfs/dbraw/zinc/60/75/40/487607540.db2.gz XDSMOBGXAXRADE-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335201773 487607546 /nfs/dbraw/zinc/60/75/46/487607546.db2.gz XDSMOBGXAXRADE-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C)CC=CC1 ZINC000655227090 409640922 /nfs/dbraw/zinc/64/09/22/409640922.db2.gz DRSJMODTSPWHKG-UHFFFAOYSA-N 1 2 233.315 1.578 20 0 BDADLO CCOCC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662368631 409676173 /nfs/dbraw/zinc/67/61/73/409676173.db2.gz DXEKRKYJARHPCS-SNVBAGLBSA-N 1 2 223.263 1.379 20 0 BDADLO CCOCC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662368631 409676179 /nfs/dbraw/zinc/67/61/79/409676179.db2.gz DXEKRKYJARHPCS-SNVBAGLBSA-N 1 2 223.263 1.379 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC(F)(F)C1 ZINC000673008624 487610419 /nfs/dbraw/zinc/61/04/19/487610419.db2.gz NFOJPKVLSCLEKV-QMMMGPOBSA-N 1 2 243.257 1.646 20 0 BDADLO CC[C@@H]1C[N@H+](CC)CCN1CC1(C)COC1 ZINC000660734513 409679469 /nfs/dbraw/zinc/67/94/69/409679469.db2.gz CUVUGWXLUQUKAW-GFCCVEGCSA-N 1 2 226.364 1.439 20 0 BDADLO CC[C@@H]1C[N@@H+](CC)CCN1CC1(C)COC1 ZINC000660734513 409679477 /nfs/dbraw/zinc/67/94/77/409679477.db2.gz CUVUGWXLUQUKAW-GFCCVEGCSA-N 1 2 226.364 1.439 20 0 BDADLO CCCCOCC[N@H+](C)Cc1nc(C)no1 ZINC000653890826 487610481 /nfs/dbraw/zinc/61/04/81/487610481.db2.gz OOMUGLAUQHERLS-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1nc(C)no1 ZINC000653890826 487610483 /nfs/dbraw/zinc/61/04/83/487610483.db2.gz OOMUGLAUQHERLS-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO C[C@@H](O)C[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660768243 409728120 /nfs/dbraw/zinc/72/81/20/409728120.db2.gz QZBHCFBAHUEELW-PWSUYJOCSA-N 1 2 246.314 1.207 20 0 BDADLO C[C@@H](O)C[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660768243 409728127 /nfs/dbraw/zinc/72/81/27/409728127.db2.gz QZBHCFBAHUEELW-PWSUYJOCSA-N 1 2 246.314 1.207 20 0 BDADLO CC[C@H](NC(=O)C1CCOCC1)c1[nH]cc[nH+]1 ZINC000140620294 409825916 /nfs/dbraw/zinc/82/59/16/409825916.db2.gz PJLCAYTZVUGRLR-JTQLQIEISA-N 1 2 237.303 1.404 20 0 BDADLO CC(C)C[C@@H](C)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843042 409836393 /nfs/dbraw/zinc/83/63/93/409836393.db2.gz SMYNARFXIGNIDR-SECBINFHSA-N 1 2 227.308 1.889 20 0 BDADLO CC(C)C[C@@H](C)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843042 409836400 /nfs/dbraw/zinc/83/64/00/409836400.db2.gz SMYNARFXIGNIDR-SECBINFHSA-N 1 2 227.308 1.889 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C1CCC1 ZINC000660844891 409843943 /nfs/dbraw/zinc/84/39/43/409843943.db2.gz WPLSUZONJFEPMF-SECBINFHSA-N 1 2 241.291 1.022 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C1CCC1 ZINC000660844891 409843953 /nfs/dbraw/zinc/84/39/53/409843953.db2.gz WPLSUZONJFEPMF-SECBINFHSA-N 1 2 241.291 1.022 20 0 BDADLO CCc1cccc(C[N@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660845716 409850680 /nfs/dbraw/zinc/85/06/80/409850680.db2.gz SVZUBWAHQINICL-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CCc1cccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660845716 409850692 /nfs/dbraw/zinc/85/06/92/409850692.db2.gz SVZUBWAHQINICL-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO c1c[nH+]c(CN2CCO[C@@H](c3ccccc3)C2)[nH]1 ZINC000111198592 410217635 /nfs/dbraw/zinc/21/76/35/410217635.db2.gz JXCJWUYTKZDOSA-CYBMUJFWSA-N 1 2 243.310 1.983 20 0 BDADLO CN(CC(=O)c1cccn1C)Cc1c[nH+]c[nH]1 ZINC000661088826 410157240 /nfs/dbraw/zinc/15/72/40/410157240.db2.gz WUWOUMSQCDDMFH-UHFFFAOYSA-N 1 2 232.287 1.063 20 0 BDADLO CN(CC(=O)c1cccn1C)Cc1c[nH]c[nH+]1 ZINC000661088826 410157246 /nfs/dbraw/zinc/15/72/46/410157246.db2.gz WUWOUMSQCDDMFH-UHFFFAOYSA-N 1 2 232.287 1.063 20 0 BDADLO c1cc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)n[nH]1 ZINC000559477926 410178524 /nfs/dbraw/zinc/17/85/24/410178524.db2.gz PENSGZZKGKDZJW-UHFFFAOYSA-N 1 2 243.270 1.683 20 0 BDADLO CCc1c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cnn1C ZINC000655401785 410205088 /nfs/dbraw/zinc/20/50/88/410205088.db2.gz DHCKVAIFSAHZLD-MRVPVSSYSA-N 1 2 247.302 1.197 20 0 BDADLO CCN(CCO)c1cc[nH+]c2ccncc21 ZINC000085652541 410466513 /nfs/dbraw/zinc/46/65/13/410466513.db2.gz KCTOOIFINBEXLM-UHFFFAOYSA-N 1 2 217.272 1.448 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)c1ccco1 ZINC000650789221 410434787 /nfs/dbraw/zinc/43/47/87/410434787.db2.gz KVOTYEWNSSZTQL-JTQLQIEISA-N 1 2 247.298 1.916 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1nccs1 ZINC000650787643 410435799 /nfs/dbraw/zinc/43/57/99/410435799.db2.gz JTBATBNOKOHKCS-UHFFFAOYSA-N 1 2 236.300 1.290 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC12CCC2 ZINC000650788829 410436146 /nfs/dbraw/zinc/43/61/46/410436146.db2.gz WRCACLRXUNAXNU-SNVBAGLBSA-N 1 2 233.315 1.709 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C2CCC2)CC1 ZINC000650838865 410530737 /nfs/dbraw/zinc/53/07/37/410530737.db2.gz ZFYKGLPXERPDBP-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO O[C@H]1CC[N@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000661405194 410618045 /nfs/dbraw/zinc/61/80/45/410618045.db2.gz CQRUXZMUOTVLAH-MNOVXSKESA-N 1 2 249.301 1.648 20 0 BDADLO O[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000661405194 410618050 /nfs/dbraw/zinc/61/80/50/410618050.db2.gz CQRUXZMUOTVLAH-MNOVXSKESA-N 1 2 249.301 1.648 20 0 BDADLO CCCc1nc(C(=O)NCc2c[nH+]c[nH]2)co1 ZINC000680581339 487618091 /nfs/dbraw/zinc/61/80/91/487618091.db2.gz NAXBDTTWQXJIEG-UHFFFAOYSA-N 1 2 234.259 1.280 20 0 BDADLO CCCc1nc(C(=O)NCc2c[nH]c[nH+]2)co1 ZINC000680581339 487618096 /nfs/dbraw/zinc/61/80/96/487618096.db2.gz NAXBDTTWQXJIEG-UHFFFAOYSA-N 1 2 234.259 1.280 20 0 BDADLO COc1ccc(CO)c(-c2c[nH+]cn2C)c1 ZINC000665209696 410718952 /nfs/dbraw/zinc/71/89/52/410718952.db2.gz IMZUGAOYALNAEQ-UHFFFAOYSA-N 1 2 218.256 1.588 20 0 BDADLO CC(C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119549169 166707706 /nfs/dbraw/zinc/70/77/06/166707706.db2.gz JZTQEZLSIYRZES-LBPRGKRZSA-N 1 2 249.358 1.857 20 0 BDADLO CN(CCc1ccncc1)c1cc(CO)cc[nH+]1 ZINC000040879078 410893906 /nfs/dbraw/zinc/89/39/06/410893906.db2.gz OBXSWJXZILPVDN-UHFFFAOYSA-N 1 2 243.310 1.648 20 0 BDADLO CN(CCc1ccccn1)c1cc(CO)cc[nH+]1 ZINC000040864933 410896480 /nfs/dbraw/zinc/89/64/80/410896480.db2.gz BWVZVXAVMJJQHO-UHFFFAOYSA-N 1 2 243.310 1.648 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278761200 167051869 /nfs/dbraw/zinc/05/18/69/167051869.db2.gz XVHABRZDSCKURG-LLVKDONJSA-N 1 2 236.319 1.071 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278761200 167051870 /nfs/dbraw/zinc/05/18/70/167051870.db2.gz XVHABRZDSCKURG-LLVKDONJSA-N 1 2 236.319 1.071 20 0 BDADLO CC(C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372921768 167141051 /nfs/dbraw/zinc/14/10/51/167141051.db2.gz JWEPNDPTJDPHHN-LLVKDONJSA-N 1 2 216.288 1.892 20 0 BDADLO CC(C)Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000179764892 167148216 /nfs/dbraw/zinc/14/82/16/167148216.db2.gz YRNWPZAWWDIUHX-UHFFFAOYSA-N 1 2 235.331 1.734 20 0 BDADLO CC(C)OCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000288827228 167192198 /nfs/dbraw/zinc/19/21/98/167192198.db2.gz IRPFCMKRVAFIBG-UHFFFAOYSA-N 1 2 233.271 1.698 20 0 BDADLO CC(C)OCCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000346274039 167209025 /nfs/dbraw/zinc/20/90/25/167209025.db2.gz IVTJRCLDKJVHOI-JTQLQIEISA-N 1 2 241.339 1.018 20 0 BDADLO CC(C)OCCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000346274039 167209029 /nfs/dbraw/zinc/20/90/29/167209029.db2.gz IVTJRCLDKJVHOI-JTQLQIEISA-N 1 2 241.339 1.018 20 0 BDADLO CC(C)OC[C@H]1C[N@H+](Cc2cc[nH]c2)CCO1 ZINC000372124774 167270987 /nfs/dbraw/zinc/27/09/87/167270987.db2.gz UFKBIPBGFHPIQF-CYBMUJFWSA-N 1 2 238.331 1.641 20 0 BDADLO CC(C)OC[C@H]1C[N@@H+](Cc2cc[nH]c2)CCO1 ZINC000372124774 167270992 /nfs/dbraw/zinc/27/09/92/167270992.db2.gz UFKBIPBGFHPIQF-CYBMUJFWSA-N 1 2 238.331 1.641 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000264175345 167363823 /nfs/dbraw/zinc/36/38/23/167363823.db2.gz MKTZTYPRMFPAHR-SNVBAGLBSA-N 1 2 238.335 1.606 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCC(F)F ZINC000651419716 411000263 /nfs/dbraw/zinc/00/02/63/411000263.db2.gz KGEOKVDLRKFZIH-UHFFFAOYSA-N 1 2 243.257 1.143 20 0 BDADLO CCN1C[C@@H](CNc2cccc[nH+]2)CC1=O ZINC000651421768 411005918 /nfs/dbraw/zinc/00/59/18/411005918.db2.gz WSFUNVAOUJWCSR-SNVBAGLBSA-N 1 2 219.288 1.362 20 0 BDADLO CCN(C[C@@H]1CCCO1)c1cc(CO)cc[nH+]1 ZINC000042470096 411007083 /nfs/dbraw/zinc/00/70/83/411007083.db2.gz YEFWRMPWROXUIA-LBPRGKRZSA-N 1 2 236.315 1.579 20 0 BDADLO CN(Cc1ccoc1)c1cc(CO)cc[nH+]1 ZINC000042448545 411009608 /nfs/dbraw/zinc/00/96/08/411009608.db2.gz GLUQWOHVLNOMOO-UHFFFAOYSA-N 1 2 218.256 1.803 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000651463740 411048204 /nfs/dbraw/zinc/04/82/04/411048204.db2.gz YMIAMKQRTYMYMR-GZMMTYOYSA-N 1 2 223.320 1.794 20 0 BDADLO C[C@H](CC(=O)NC(C)(C)[C@H](C)O)n1cc[nH+]c1 ZINC000651625889 411131473 /nfs/dbraw/zinc/13/14/73/411131473.db2.gz WMEPWAROPFQADS-ZJUUUORDSA-N 1 2 239.319 1.110 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CC[C@@H]1C ZINC000655952949 411163177 /nfs/dbraw/zinc/16/31/77/411163177.db2.gz ZHABDKKMUDJYIR-VIFPVBQESA-N 1 2 235.287 1.394 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2conc2C)[C@@H](C)CO1 ZINC000651932246 411150683 /nfs/dbraw/zinc/15/06/83/411150683.db2.gz OUDGMPJVDRFBBN-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2conc2C)[C@@H](C)CO1 ZINC000651932246 411150684 /nfs/dbraw/zinc/15/06/84/411150684.db2.gz OUDGMPJVDRFBBN-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO COCc1cc[nH+]c(NC[C@@H](C)COC)c1 ZINC000652067712 411103086 /nfs/dbraw/zinc/10/30/86/411103086.db2.gz DKXFBJGCUJVENQ-SNVBAGLBSA-N 1 2 224.304 1.922 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)Cn2cccn2)c1 ZINC000652067797 411104850 /nfs/dbraw/zinc/10/48/50/411104850.db2.gz HWNJGUXZUJDBHL-NSHDSACASA-N 1 2 246.314 1.925 20 0 BDADLO COCc1cc[nH+]c(NCC[C@H]2CCOC2)c1 ZINC000652067826 411105077 /nfs/dbraw/zinc/10/50/77/411105077.db2.gz ITTIUKUAJHFSDR-NSHDSACASA-N 1 2 236.315 1.488 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCO[C@H]2C)c1 ZINC000652068782 411106440 /nfs/dbraw/zinc/10/64/40/411106440.db2.gz OZNJGGIUPUNFCT-GXSJLCMTSA-N 1 2 222.288 1.817 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCSCC1 ZINC000656110165 411180288 /nfs/dbraw/zinc/18/02/88/411180288.db2.gz UWQXMSJZNWGCGG-UHFFFAOYSA-N 1 2 225.317 1.347 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1nccs1 ZINC000656109999 411180730 /nfs/dbraw/zinc/18/07/30/411180730.db2.gz NUUHJQUHIZOTAM-UHFFFAOYSA-N 1 2 236.300 1.862 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)Cc1cnccn1 ZINC000656126966 411183005 /nfs/dbraw/zinc/18/30/05/411183005.db2.gz FDVWINPGGLEEHE-UHFFFAOYSA-N 1 2 245.286 1.220 20 0 BDADLO CC[C@@H](O)CCCNc1nc[nH+]c(C)c1OC ZINC000656127928 411183349 /nfs/dbraw/zinc/18/33/49/411183349.db2.gz CQNLNSIGZZMSEU-SNVBAGLBSA-N 1 2 239.319 1.757 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)Cc1cc[nH]n1 ZINC000656125607 411183539 /nfs/dbraw/zinc/18/35/39/411183539.db2.gz RTNKAEWALVAFCI-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO COc1c(C)[nH+]cnc1NCC(C)(C)CO ZINC000656149486 411186168 /nfs/dbraw/zinc/18/61/68/411186168.db2.gz VZBBMSMEVQRJJV-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ncccc1F ZINC000656150132 411187413 /nfs/dbraw/zinc/18/74/13/411187413.db2.gz IEMPHSTTXAYSCX-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cc(=O)n(C)cn1 ZINC000656151225 411187467 /nfs/dbraw/zinc/18/74/67/411187467.db2.gz LFOJCWVXJRDFBC-UHFFFAOYSA-N 1 2 244.298 1.138 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H](O)C2(CC2)C1 ZINC000656165312 411190051 /nfs/dbraw/zinc/19/00/51/411190051.db2.gz QFLLQTDKUOGQRL-SNVBAGLBSA-N 1 2 219.288 1.055 20 0 BDADLO COc1nn(C)cc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000655759985 411191071 /nfs/dbraw/zinc/19/10/71/411191071.db2.gz JLPDOHTZOWCTOU-SECBINFHSA-N 1 2 247.302 1.572 20 0 BDADLO CNC(=O)CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653832604 411195853 /nfs/dbraw/zinc/19/58/53/411195853.db2.gz LBKKJVQGJDSLGW-UHFFFAOYSA-N 1 2 240.253 1.417 20 0 BDADLO CCC1(CNc2nc[nH+]c(C)c2OC)COC1 ZINC000656197128 411201779 /nfs/dbraw/zinc/20/17/79/411201779.db2.gz GXAZQDLDKYDKDA-UHFFFAOYSA-N 1 2 237.303 1.632 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CC12CCOCC2 ZINC000656196910 411201837 /nfs/dbraw/zinc/20/18/37/411201837.db2.gz UPCVIMLKOCYFNL-SNVBAGLBSA-N 1 2 249.314 1.775 20 0 BDADLO C[C@H]1C[C@H](NC(=O)N2CC(C)(C)C2)c2[nH+]ccn21 ZINC000656199209 411202006 /nfs/dbraw/zinc/20/20/06/411202006.db2.gz UICXHSQLXYXTKH-UWVGGRQHSA-N 1 2 248.330 1.940 20 0 BDADLO Cc1noc(C[N@H+](C)CC2CCC(=O)CC2)n1 ZINC000653889240 411209860 /nfs/dbraw/zinc/20/98/60/411209860.db2.gz WFJPBHLWBJOMSO-UHFFFAOYSA-N 1 2 237.303 1.569 20 0 BDADLO Cc1noc(C[N@@H+](C)CC2CCC(=O)CC2)n1 ZINC000653889240 411209861 /nfs/dbraw/zinc/20/98/61/411209861.db2.gz WFJPBHLWBJOMSO-UHFFFAOYSA-N 1 2 237.303 1.569 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(CC)CC)C[C@@H](C)O1 ZINC000247492939 411209921 /nfs/dbraw/zinc/20/99/21/411209921.db2.gz HBRGBSMMBQVOEJ-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@@H](C)O1 ZINC000247492939 411209925 /nfs/dbraw/zinc/20/99/25/411209925.db2.gz HBRGBSMMBQVOEJ-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000653888936 411210147 /nfs/dbraw/zinc/21/01/47/411210147.db2.gz LCFJSACBPWFKHH-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000653888936 411210150 /nfs/dbraw/zinc/21/01/50/411210150.db2.gz LCFJSACBPWFKHH-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000653896206 411212633 /nfs/dbraw/zinc/21/26/33/411212633.db2.gz NORJMSFIFBZBCN-MRVPVSSYSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000653896206 411212637 /nfs/dbraw/zinc/21/26/37/411212637.db2.gz NORJMSFIFBZBCN-MRVPVSSYSA-N 1 2 237.303 1.292 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659293433 411214445 /nfs/dbraw/zinc/21/44/45/411214445.db2.gz DHQJBRMXQISWEA-WPRPVWTQSA-N 1 2 235.287 1.417 20 0 BDADLO C=Cn1cc(C[NH+]2CC3(CC3(F)F)C2)cn1 ZINC000656265681 411221569 /nfs/dbraw/zinc/22/15/69/411221569.db2.gz WBHRRVWESVKJCP-UHFFFAOYSA-N 1 2 225.242 1.825 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1csnn1 ZINC000656274805 411224637 /nfs/dbraw/zinc/22/46/37/411224637.db2.gz NFLBXMDFJFSLAM-RYUDHWBXSA-N 1 2 247.323 1.286 20 0 BDADLO Cc1c(CO)cccc1-c1[nH+]ccn1C ZINC000656371593 411236335 /nfs/dbraw/zinc/23/63/35/411236335.db2.gz JJWIZXATKWMWOG-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO C[C@@H](CF)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652182586 411167180 /nfs/dbraw/zinc/16/71/80/411167180.db2.gz SYFBZQOORLNEIY-VIFPVBQESA-N 1 2 239.294 1.236 20 0 BDADLO CCn1nncc1C[N@H+](C)CCOC(C)(C)C ZINC000656458962 411269779 /nfs/dbraw/zinc/26/97/79/411269779.db2.gz RSFIRPYUWAHWQS-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCn1nncc1C[N@@H+](C)CCOC(C)(C)C ZINC000656458962 411269781 /nfs/dbraw/zinc/26/97/81/411269781.db2.gz RSFIRPYUWAHWQS-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCc1ccncc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000652897622 411270780 /nfs/dbraw/zinc/27/07/80/411270780.db2.gz YLVFXNQPZSSZIH-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO c1cn(Cc2cn(CC3CCCC3)nn2)c[nH+]1 ZINC000656451651 411273720 /nfs/dbraw/zinc/27/37/20/411273720.db2.gz WMCLMIHAIVLKNI-UHFFFAOYSA-N 1 2 231.303 1.713 20 0 BDADLO CCC(CC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658163161 411276216 /nfs/dbraw/zinc/27/62/16/411276216.db2.gz ZXZRDGUWMWDCHN-UHFFFAOYSA-N 1 2 212.297 1.229 20 0 BDADLO CC[C@@H](NC(=O)c1ccccc1O)c1[nH]cc[nH+]1 ZINC000139748741 411281413 /nfs/dbraw/zinc/28/14/13/411281413.db2.gz CNHFZRLGLCSYSZ-SNVBAGLBSA-N 1 2 245.282 1.996 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000656496921 411287665 /nfs/dbraw/zinc/28/76/65/411287665.db2.gz NGGJXCVMTUNXHW-RKDXNWHRSA-N 1 2 207.277 1.035 20 0 BDADLO CC[C@H](C)N(CC)C(=O)NCCn1cc[nH+]c1 ZINC000656537343 411291548 /nfs/dbraw/zinc/29/15/48/411291548.db2.gz DNGXBJURDVYAKV-NSHDSACASA-N 1 2 238.335 1.713 20 0 BDADLO C[C@H]1C[NH+](CCSc2ncco2)C[C@H](C)O1 ZINC000566497784 411296421 /nfs/dbraw/zinc/29/64/21/411296421.db2.gz KARWVIXAJYYJNN-UWVGGRQHSA-N 1 2 242.344 1.876 20 0 BDADLO C[C@H](NC(=O)NCC1=CCCC1)c1[nH+]ccn1C ZINC000661958826 411331094 /nfs/dbraw/zinc/33/10/94/411331094.db2.gz CRMWPCFPZOXLFK-JTQLQIEISA-N 1 2 248.330 1.891 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658252053 411314191 /nfs/dbraw/zinc/31/41/91/411314191.db2.gz IDZMHQUKLYUQGI-UWJYBYFXSA-N 1 2 235.331 1.672 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CCO1 ZINC000219832598 411314703 /nfs/dbraw/zinc/31/47/03/411314703.db2.gz MGJQCIJUYCSLDO-RKDXNWHRSA-N 1 2 247.302 1.343 20 0 BDADLO CC1(C)CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000267366897 167914302 /nfs/dbraw/zinc/91/43/02/167914302.db2.gz DTLQYBMFVSMWCL-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CCOC1C[NH+](Cc2cn(C)nc2CC)C1 ZINC000656657957 411317488 /nfs/dbraw/zinc/31/74/88/411317488.db2.gz UHRIVCWPRFJMKC-UHFFFAOYSA-N 1 2 223.320 1.203 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661853593 411320360 /nfs/dbraw/zinc/32/03/60/411320360.db2.gz WEFNXWHKRAHZGL-BDAKNGLRSA-N 1 2 224.308 1.112 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661853593 411320361 /nfs/dbraw/zinc/32/03/61/411320361.db2.gz WEFNXWHKRAHZGL-BDAKNGLRSA-N 1 2 224.308 1.112 20 0 BDADLO CCCN1CC[C@H]([NH2+][C@H](C)c2ccn(C)n2)C1 ZINC000658286963 411323654 /nfs/dbraw/zinc/32/36/54/411323654.db2.gz WVUBZJAIGFPGHX-NEPJUHHUSA-N 1 2 236.363 1.555 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCn3ccnc32)n(C)n1 ZINC000655766450 411248950 /nfs/dbraw/zinc/24/89/50/411248950.db2.gz QXVHOVWNXSUHML-GFCCVEGCSA-N 1 2 245.330 1.550 20 0 BDADLO C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000130543108 411352873 /nfs/dbraw/zinc/35/28/73/411352873.db2.gz DYYPSCFWLGKMTQ-QMMMGPOBSA-N 1 2 223.276 1.142 20 0 BDADLO C[C@H](CCO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000652955412 411353784 /nfs/dbraw/zinc/35/37/84/411353784.db2.gz CPNCVDPZRHIDNK-MNOVXSKESA-N 1 2 239.319 1.064 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000403732597 411356194 /nfs/dbraw/zinc/35/61/94/411356194.db2.gz BBXUCRUMPZLDAT-DTWKUNHWSA-N 1 2 241.360 1.555 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000403732597 411356198 /nfs/dbraw/zinc/35/61/98/411356198.db2.gz BBXUCRUMPZLDAT-DTWKUNHWSA-N 1 2 241.360 1.555 20 0 BDADLO CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000376868843 168018645 /nfs/dbraw/zinc/01/86/45/168018645.db2.gz HWDRWBCYMXHTIF-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CC1(CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000279852399 168018687 /nfs/dbraw/zinc/01/86/87/168018687.db2.gz GNEPYZXJGLAUAN-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO CC1(C[NH2+][C@@H]2CCCc3[nH]ncc32)OCCO1 ZINC000368616597 168044815 /nfs/dbraw/zinc/04/48/15/168044815.db2.gz UHWKHIAIWMAEMW-SNVBAGLBSA-N 1 2 237.303 1.140 20 0 BDADLO CC1(CO)C[NH+](Cc2cc(F)ccc2F)C1 ZINC000334647801 168051287 /nfs/dbraw/zinc/05/12/87/168051287.db2.gz QORQKEWOMKCPJQ-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO CC1=C(C)CN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000281862949 168081851 /nfs/dbraw/zinc/08/18/51/168081851.db2.gz ZATBHXVVXMCAJF-UHFFFAOYSA-N 1 2 248.330 1.672 20 0 BDADLO CC1=CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000336668086 168099906 /nfs/dbraw/zinc/09/99/06/168099906.db2.gz QAUQVKXCBUXGQV-UHFFFAOYSA-N 1 2 219.292 1.160 20 0 BDADLO CC1=CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000336668086 168099909 /nfs/dbraw/zinc/09/99/09/168099909.db2.gz QAUQVKXCBUXGQV-UHFFFAOYSA-N 1 2 219.292 1.160 20 0 BDADLO CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC000267675610 168140316 /nfs/dbraw/zinc/14/03/16/168140316.db2.gz GXDJZMHGUFNOIQ-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000279908489 168140408 /nfs/dbraw/zinc/14/04/08/168140408.db2.gz NAUMOJHWJWEBTF-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000279908489 168140410 /nfs/dbraw/zinc/14/04/10/168140410.db2.gz NAUMOJHWJWEBTF-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO CC1CC(NC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335478876 168143864 /nfs/dbraw/zinc/14/38/64/168143864.db2.gz VOBYKWLKQCOOEQ-IEIXJENWSA-N 1 2 225.317 1.058 20 0 BDADLO CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000276734759 168170504 /nfs/dbraw/zinc/17/05/04/168170504.db2.gz UHGMGCHBGRAVAF-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000336594212 168174556 /nfs/dbraw/zinc/17/45/56/168174556.db2.gz WKWHGYDDXGIPKV-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000014193618 168179061 /nfs/dbraw/zinc/17/90/61/168179061.db2.gz JGQNLKUYCIAVFL-UHFFFAOYSA-N 1 2 240.332 1.209 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000190315630 168202916 /nfs/dbraw/zinc/20/29/16/168202916.db2.gz PKCNYYYGBIBORA-NSHDSACASA-N 1 2 236.319 1.321 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@H]1c1nncn1C ZINC000190315630 168202918 /nfs/dbraw/zinc/20/29/18/168202918.db2.gz PKCNYYYGBIBORA-NSHDSACASA-N 1 2 236.319 1.321 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000370204493 168203188 /nfs/dbraw/zinc/20/31/88/168203188.db2.gz QQFKFXFJPWBEBH-ZUZCIYMTSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000370204493 168203190 /nfs/dbraw/zinc/20/31/90/168203190.db2.gz QQFKFXFJPWBEBH-ZUZCIYMTSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000335738160 168219707 /nfs/dbraw/zinc/21/97/07/168219707.db2.gz FIRPCDXXCZVCKO-JTQLQIEISA-N 1 2 236.319 1.025 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(C)cc1Cl ZINC000653493028 411383496 /nfs/dbraw/zinc/38/34/96/411383496.db2.gz HWPQVXCHKNXDOG-UHFFFAOYSA-N 1 2 240.734 1.826 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000653493028 411383500 /nfs/dbraw/zinc/38/35/00/411383500.db2.gz HWPQVXCHKNXDOG-UHFFFAOYSA-N 1 2 240.734 1.826 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000659933579 411386110 /nfs/dbraw/zinc/38/61/10/411386110.db2.gz HMBZPHIFLQTQKR-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000659933579 411386112 /nfs/dbraw/zinc/38/61/12/411386112.db2.gz HMBZPHIFLQTQKR-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO CCC(C)(C)CNC(=O)NCCn1cc[nH+]c1 ZINC000192269802 168279460 /nfs/dbraw/zinc/27/94/60/168279460.db2.gz WAUQZKJTQJTXPF-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)o1 ZINC000657305383 411456625 /nfs/dbraw/zinc/45/66/25/411456625.db2.gz ZJILFDILFCPTKH-PWSUYJOCSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)o1 ZINC000657305383 411456628 /nfs/dbraw/zinc/45/66/28/411456628.db2.gz ZJILFDILFCPTKH-PWSUYJOCSA-N 1 2 236.315 1.848 20 0 BDADLO CCOc1ncccc1C[NH2+]Cc1nc(C)c[nH]1 ZINC000657306852 411458194 /nfs/dbraw/zinc/45/81/94/411458194.db2.gz ZJUUSWXFSHMQAU-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccnc2N(C)C)n1 ZINC000657308906 411458452 /nfs/dbraw/zinc/45/84/52/411458452.db2.gz YBZBEOLOFHYGAB-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657306971 411458640 /nfs/dbraw/zinc/45/86/40/411458640.db2.gz FDWVSFCXSHTJBE-UHFFFAOYSA-N 1 2 246.318 1.026 20 0 BDADLO C[C@H](CC(=O)Nc1ccc(N)nc1)n1cc[nH+]c1 ZINC000653048451 411403926 /nfs/dbraw/zinc/40/39/26/411403926.db2.gz BDTIQHCRYWGEFF-SECBINFHSA-N 1 2 245.286 1.280 20 0 BDADLO Nc1cc(CN2CCCC(F)(F)C2)cc[nH+]1 ZINC000405073626 411415583 /nfs/dbraw/zinc/41/55/83/411415583.db2.gz YUICRDKNLLSOEM-UHFFFAOYSA-N 1 2 227.258 1.725 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405049699 411416038 /nfs/dbraw/zinc/41/60/38/411416038.db2.gz AWFXQAZHVHOAPA-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405049699 411416042 /nfs/dbraw/zinc/41/60/42/411416042.db2.gz AWFXQAZHVHOAPA-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCCSC2)c[nH+]1 ZINC000267375571 411421081 /nfs/dbraw/zinc/42/10/81/411421081.db2.gz SZWOIKSVSRTKIA-MRVPVSSYSA-N 1 2 225.317 1.344 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000267374708 411421170 /nfs/dbraw/zinc/42/11/70/411421170.db2.gz QQUAIIZJVLMKOY-SECBINFHSA-N 1 2 232.287 1.338 20 0 BDADLO c1ccc2c(c1)C[NH+](CC1OCCO1)C2 ZINC000272217192 411433510 /nfs/dbraw/zinc/43/35/10/411433510.db2.gz HGWSKISTQXKHFL-UHFFFAOYSA-N 1 2 205.257 1.375 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccnc2)n1 ZINC000657285958 411444859 /nfs/dbraw/zinc/44/48/59/411444859.db2.gz JCEFHGDAAZNERV-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1nn(C(C)C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000654819345 411450737 /nfs/dbraw/zinc/45/07/37/411450737.db2.gz FBZBCILNKYNTLT-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO Cc1nn(C(C)C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000654819345 411450738 /nfs/dbraw/zinc/45/07/38/411450738.db2.gz FBZBCILNKYNTLT-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C1CC1 ZINC000654829114 411453204 /nfs/dbraw/zinc/45/32/04/411453204.db2.gz XQWODDBHVRINOV-VIFPVBQESA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C1CC1 ZINC000654829114 411453206 /nfs/dbraw/zinc/45/32/06/411453206.db2.gz XQWODDBHVRINOV-VIFPVBQESA-N 1 2 235.331 1.893 20 0 BDADLO COc1ccc(C(=O)NC2C[NH+](C(C)C)C2)o1 ZINC000655007473 411475400 /nfs/dbraw/zinc/47/54/00/411475400.db2.gz KOMJJWSEQYOWGJ-UHFFFAOYSA-N 1 2 238.287 1.111 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000655010497 411475405 /nfs/dbraw/zinc/47/54/05/411475405.db2.gz ACRHMULRRMSNRI-NTZNESFSSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000655010497 411475407 /nfs/dbraw/zinc/47/54/07/411475407.db2.gz ACRHMULRRMSNRI-NTZNESFSSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000655010496 411476328 /nfs/dbraw/zinc/47/63/28/411476328.db2.gz ACRHMULRRMSNRI-NQBHXWOUSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000655010496 411476332 /nfs/dbraw/zinc/47/63/32/411476332.db2.gz ACRHMULRRMSNRI-NQBHXWOUSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(F)(F)C1 ZINC000655029865 411481402 /nfs/dbraw/zinc/48/14/02/411481402.db2.gz WVMIIZDSXQHUPH-SSDOTTSWSA-N 1 2 243.257 1.502 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(F)(F)C1 ZINC000655029865 411481405 /nfs/dbraw/zinc/48/14/05/411481405.db2.gz WVMIIZDSXQHUPH-SSDOTTSWSA-N 1 2 243.257 1.502 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H](O)C(C)C ZINC000659879222 411488392 /nfs/dbraw/zinc/48/83/92/411488392.db2.gz SINFQIRPNSESPV-SECBINFHSA-N 1 2 225.279 1.217 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H](O)C(C)C ZINC000659879222 411488393 /nfs/dbraw/zinc/48/83/93/411488393.db2.gz SINFQIRPNSESPV-SECBINFHSA-N 1 2 225.279 1.217 20 0 BDADLO C[C@@H](CF)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655079755 411491094 /nfs/dbraw/zinc/49/10/94/411491094.db2.gz NJZQZSDGJYFQLZ-YUMQZZPRSA-N 1 2 213.256 1.063 20 0 BDADLO C[C@@H](CF)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655079755 411491099 /nfs/dbraw/zinc/49/10/99/411491099.db2.gz NJZQZSDGJYFQLZ-YUMQZZPRSA-N 1 2 213.256 1.063 20 0 BDADLO C[C@H](CF)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655079752 411491521 /nfs/dbraw/zinc/49/15/21/411491521.db2.gz NJZQZSDGJYFQLZ-HTQZYQBOSA-N 1 2 213.256 1.063 20 0 BDADLO C[C@H](CF)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655079752 411491524 /nfs/dbraw/zinc/49/15/24/411491524.db2.gz NJZQZSDGJYFQLZ-HTQZYQBOSA-N 1 2 213.256 1.063 20 0 BDADLO Fc1cccnc1C[NH2+]Cc1cnn2c1CCC2 ZINC000657413439 411499708 /nfs/dbraw/zinc/49/97/08/411499708.db2.gz BNVKGCREORQFDC-UHFFFAOYSA-N 1 2 246.289 1.653 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2cccc(C)n2)C1=O ZINC000660080571 411534191 /nfs/dbraw/zinc/53/41/91/411534191.db2.gz MIBFBGWJJVMICA-ZDUSSCGKSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2cccc(C)n2)C1=O ZINC000660080571 411534193 /nfs/dbraw/zinc/53/41/93/411534193.db2.gz MIBFBGWJJVMICA-ZDUSSCGKSA-N 1 2 247.342 1.443 20 0 BDADLO CCc1nnc([C@H](C)NCc2c[nH+]c(C)n2C)[nH]1 ZINC000657420053 411501859 /nfs/dbraw/zinc/50/18/59/411501859.db2.gz JTQPDXIRCJHQJT-QMMMGPOBSA-N 1 2 248.334 1.260 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1n[nH]cc1C ZINC000655134305 411501978 /nfs/dbraw/zinc/50/19/78/411501978.db2.gz CZVZZBMCIKRVFH-VIFPVBQESA-N 1 2 247.302 1.426 20 0 BDADLO Cc1c[nH]c(CN[C@H](C)c2nnc(C)s2)[nH+]1 ZINC000657436928 411509075 /nfs/dbraw/zinc/50/90/75/411509075.db2.gz WDWRXNZAGPCBFX-SSDOTTSWSA-N 1 2 237.332 1.729 20 0 BDADLO CCCn1nccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000657445845 411512799 /nfs/dbraw/zinc/51/27/99/411512799.db2.gz LRTRGMSKTKBXMQ-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CC1CC([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)C1 ZINC000655794207 411515830 /nfs/dbraw/zinc/51/58/30/411515830.db2.gz JLZHGRLIEREKNP-UDNWOFFPSA-N 1 2 236.319 1.544 20 0 BDADLO OCc1ccc(NCc2cnn3c2CCC3)[nH+]c1 ZINC000657469601 411522196 /nfs/dbraw/zinc/52/21/96/411522196.db2.gz XXWOLZDBOUHWBN-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO Cc1c[nH]c(CNc2cc(C3CC3)n(C)n2)[nH+]1 ZINC000657470333 411522571 /nfs/dbraw/zinc/52/25/71/411522571.db2.gz FSTMACFNNJNTKN-UHFFFAOYSA-N 1 2 231.303 1.941 20 0 BDADLO CC[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000368807663 170031582 /nfs/dbraw/zinc/03/15/82/170031582.db2.gz SQADFOTYXBSRRG-VHSXEESVSA-N 1 2 237.303 1.729 20 0 BDADLO CC[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000368807663 170031585 /nfs/dbraw/zinc/03/15/85/170031585.db2.gz SQADFOTYXBSRRG-VHSXEESVSA-N 1 2 237.303 1.729 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]C2CC(F)(F)C2)[C@@H](C)C1 ZINC000309059640 170034505 /nfs/dbraw/zinc/03/45/05/170034505.db2.gz VUDOSOQHJXYVSB-WPRPVWTQSA-N 1 2 218.291 1.714 20 0 BDADLO CC(C)=CCCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660126514 411541396 /nfs/dbraw/zinc/54/13/96/411541396.db2.gz RESZGDLOLRVQPH-CQSZACIVSA-N 1 2 238.375 1.749 20 0 BDADLO CCC[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000660132271 411543107 /nfs/dbraw/zinc/54/31/07/411543107.db2.gz HZXIUBGUJXBODF-MNOVXSKESA-N 1 2 249.301 1.912 20 0 BDADLO CCC[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000660132271 411543108 /nfs/dbraw/zinc/54/31/08/411543108.db2.gz HZXIUBGUJXBODF-MNOVXSKESA-N 1 2 249.301 1.912 20 0 BDADLO CCNC(=O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000035133821 170066926 /nfs/dbraw/zinc/06/69/26/170066926.db2.gz FHWZNFRGMIWGDV-UHFFFAOYSA-N 1 2 236.319 1.456 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCCSCC2)[nH]1 ZINC000660139734 411543802 /nfs/dbraw/zinc/54/38/02/411543802.db2.gz FLXDQDBTEUUAHD-SECBINFHSA-N 1 2 240.376 1.867 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCCSCC2)[nH]1 ZINC000660139734 411543804 /nfs/dbraw/zinc/54/38/04/411543804.db2.gz FLXDQDBTEUUAHD-SECBINFHSA-N 1 2 240.376 1.867 20 0 BDADLO CCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295179392 170072644 /nfs/dbraw/zinc/07/26/44/170072644.db2.gz BNQXQFMDHZOKJB-SECBINFHSA-N 1 2 236.319 1.533 20 0 BDADLO CCNC(=O)N1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301676755 170075116 /nfs/dbraw/zinc/07/51/16/170075116.db2.gz SQXIQGPXTJUPGV-JTQLQIEISA-N 1 2 249.318 1.001 20 0 BDADLO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1csnn1 ZINC000657496755 411536403 /nfs/dbraw/zinc/53/64/03/411536403.db2.gz QUYXTEQVLXCHGM-QMMMGPOBSA-N 1 2 249.343 1.532 20 0 BDADLO CCNC(=O)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000264675904 170096482 /nfs/dbraw/zinc/09/64/82/170096482.db2.gz VMWSZYHBRDYNMV-QMMMGPOBSA-N 1 2 234.303 1.291 20 0 BDADLO CC(C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660205918 411553379 /nfs/dbraw/zinc/55/33/79/411553379.db2.gz LMPJPHIYFBEUKT-JTQLQIEISA-N 1 2 238.335 1.826 20 0 BDADLO Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657569376 411553592 /nfs/dbraw/zinc/55/35/92/411553592.db2.gz MJASMUDBBXGQCA-PWSUYJOCSA-N 1 2 243.314 1.777 20 0 BDADLO CC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000336745969 170142796 /nfs/dbraw/zinc/14/27/96/170142796.db2.gz AVRRDZYIIRASEK-QMMMGPOBSA-N 1 2 213.281 1.665 20 0 BDADLO NC(=O)C1([NH2+]Cc2nsc3ccccc23)CC1 ZINC000660226140 411555678 /nfs/dbraw/zinc/55/56/78/411555678.db2.gz UQWSLWNQLKVRDV-UHFFFAOYSA-N 1 2 247.323 1.404 20 0 BDADLO Cc1nnc([C@H](C)N(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000660142263 411544963 /nfs/dbraw/zinc/54/49/63/411544963.db2.gz SPNUTTXRWKOSOT-ZETCQYMHSA-N 1 2 220.280 1.029 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144671 411544988 /nfs/dbraw/zinc/54/49/88/411544988.db2.gz XIMIXRSQGSJBDU-ZJUUUORDSA-N 1 2 238.335 1.145 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)co1 ZINC000660147385 411546276 /nfs/dbraw/zinc/54/62/76/411546276.db2.gz FQRNEMBQOWBUNE-GFCCVEGCSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)co1 ZINC000660147385 411546278 /nfs/dbraw/zinc/54/62/78/411546278.db2.gz FQRNEMBQOWBUNE-GFCCVEGCSA-N 1 2 249.314 1.180 20 0 BDADLO CCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000062366991 170178558 /nfs/dbraw/zinc/17/85/58/170178558.db2.gz MVJVIRBGWSSUKZ-UHFFFAOYSA-N 1 2 241.258 1.037 20 0 BDADLO CCOC(=O)CCC[NH2+]C(C)(C)C(=O)OCC ZINC000118863790 170202770 /nfs/dbraw/zinc/20/27/70/170202770.db2.gz CSZNMWHOQSUWRL-UHFFFAOYSA-N 1 2 245.319 1.261 20 0 BDADLO CCOC(=O)CCN(C)c1cc(C)[nH+]cn1 ZINC000050087112 170204135 /nfs/dbraw/zinc/20/41/35/170204135.db2.gz ZTSLATAMGHLMTM-UHFFFAOYSA-N 1 2 223.276 1.174 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1scnc1C ZINC000050285540 170214402 /nfs/dbraw/zinc/21/44/02/170214402.db2.gz PUEISLXUWQGHPX-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1scnc1C ZINC000050285540 170214403 /nfs/dbraw/zinc/21/44/03/170214403.db2.gz PUEISLXUWQGHPX-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000042223915 170215139 /nfs/dbraw/zinc/21/51/39/170215139.db2.gz YGWAMPIGYJZFPU-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000042223915 170215140 /nfs/dbraw/zinc/21/51/40/170215140.db2.gz YGWAMPIGYJZFPU-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000341896186 170216067 /nfs/dbraw/zinc/21/60/67/170216067.db2.gz YCCWZUKIJLCLOW-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000341896186 170216068 /nfs/dbraw/zinc/21/60/68/170216068.db2.gz YCCWZUKIJLCLOW-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)CN(Cc1c[nH+]c[nH]1)C(C)C ZINC000179424712 170218112 /nfs/dbraw/zinc/21/81/12/170218112.db2.gz OZIWDKSOXWOCMU-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(=O)CN(Cc1c[nH]c[nH+]1)C(C)C ZINC000179424712 170218113 /nfs/dbraw/zinc/21/81/13/170218113.db2.gz OZIWDKSOXWOCMU-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375004342 170218607 /nfs/dbraw/zinc/21/86/07/170218607.db2.gz MUURLGFNECIPGL-SECBINFHSA-N 1 2 223.276 1.110 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000159334357 170218651 /nfs/dbraw/zinc/21/86/51/170218651.db2.gz LSSWLODACFJMHH-LLVKDONJSA-N 1 2 222.288 1.715 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000159334357 170218652 /nfs/dbraw/zinc/21/86/52/170218652.db2.gz LSSWLODACFJMHH-LLVKDONJSA-N 1 2 222.288 1.715 20 0 BDADLO CCOC(=O)C[N@@H+]1CCCO[C@@H](CC)C1 ZINC000300930209 170219112 /nfs/dbraw/zinc/21/91/12/170219112.db2.gz QXDNWKJAQDJDJT-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@H+]1CCCO[C@@H](CC)C1 ZINC000300930209 170219113 /nfs/dbraw/zinc/21/91/13/170219113.db2.gz QXDNWKJAQDJDJT-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000369671874 170220206 /nfs/dbraw/zinc/22/02/06/170220206.db2.gz WKBPYAYMARVMLW-CYBMUJFWSA-N 1 2 241.331 1.585 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000369671874 170220207 /nfs/dbraw/zinc/22/02/07/170220207.db2.gz WKBPYAYMARVMLW-CYBMUJFWSA-N 1 2 241.331 1.585 20 0 BDADLO CCOC(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000279033118 170229746 /nfs/dbraw/zinc/22/97/46/170229746.db2.gz DWYMCZSLZGTWGU-UHFFFAOYSA-N 1 2 241.316 1.276 20 0 BDADLO CCOC(=O)CSCc1c[nH+]ccc1OC ZINC000286588629 170229983 /nfs/dbraw/zinc/22/99/83/170229983.db2.gz NLYCXUOGAKIJDJ-UHFFFAOYSA-N 1 2 241.312 1.887 20 0 BDADLO CCOC(=O)[C@@H](C)N(Cc1c[nH+]c[nH]1)C1CC1 ZINC000191714304 170247089 /nfs/dbraw/zinc/24/70/89/170247089.db2.gz LSMIPIDRQCNUEX-SECBINFHSA-N 1 2 237.303 1.326 20 0 BDADLO CCOC(=O)[C@@H](C)N(Cc1c[nH]c[nH+]1)C1CC1 ZINC000191714304 170247091 /nfs/dbraw/zinc/24/70/91/170247091.db2.gz LSMIPIDRQCNUEX-SECBINFHSA-N 1 2 237.303 1.326 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC3(CC3)C2)co1 ZINC000660241536 411558261 /nfs/dbraw/zinc/55/82/61/411558261.db2.gz DQPVRUCMPJGHKN-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC3(CC3)C2)co1 ZINC000660241536 411558262 /nfs/dbraw/zinc/55/82/62/411558262.db2.gz DQPVRUCMPJGHKN-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO CC[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660245351 411558828 /nfs/dbraw/zinc/55/88/28/411558828.db2.gz OTXQGWKGOVDSSR-MRVPVSSYSA-N 1 2 210.281 1.350 20 0 BDADLO CC[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660245351 411558829 /nfs/dbraw/zinc/55/88/29/411558829.db2.gz OTXQGWKGOVDSSR-MRVPVSSYSA-N 1 2 210.281 1.350 20 0 BDADLO Cc1c(Cl)c(C[NH2+]C/C=C\CO)nn1C ZINC000657595055 411560472 /nfs/dbraw/zinc/56/04/72/411560472.db2.gz WLUIAWIKXOBPRK-ARJAWSKDSA-N 1 2 229.711 1.020 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccncc1 ZINC000043638591 170265207 /nfs/dbraw/zinc/26/52/07/170265207.db2.gz YJCBUKGSKKIJAL-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccncc1 ZINC000043638591 170265209 /nfs/dbraw/zinc/26/52/09/170265209.db2.gz YJCBUKGSKKIJAL-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cccnc1 ZINC000353659910 170265377 /nfs/dbraw/zinc/26/53/77/170265377.db2.gz RWLYVPSTYVHLMW-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cccnc1 ZINC000353659910 170265379 /nfs/dbraw/zinc/26/53/79/170265379.db2.gz RWLYVPSTYVHLMW-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCCc2occc2C1 ZINC000288974832 170266483 /nfs/dbraw/zinc/26/64/83/170266483.db2.gz YXVYXECVQLRPKG-JTQLQIEISA-N 1 2 237.299 1.979 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCCc2occc2C1 ZINC000288974832 170266484 /nfs/dbraw/zinc/26/64/84/170266484.db2.gz YXVYXECVQLRPKG-JTQLQIEISA-N 1 2 237.299 1.979 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000336776072 170267998 /nfs/dbraw/zinc/26/79/98/170267998.db2.gz DPTXBQCOBSTHQN-UMNHJUIQSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCOC1(C)C ZINC000328392475 170272685 /nfs/dbraw/zinc/27/26/85/170272685.db2.gz OVNQNKOHPQKNFR-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000657608037 411561782 /nfs/dbraw/zinc/56/17/82/411561782.db2.gz RAYOZIFAVAQFOX-ZJUUUORDSA-N 1 2 238.335 1.619 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2ccc(C)cc2)n1 ZINC000657605304 411563940 /nfs/dbraw/zinc/56/39/40/411563940.db2.gz MWZFBKIPFLOGMH-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO CO[C@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)C1CCC1 ZINC000660369508 411572313 /nfs/dbraw/zinc/57/23/13/411572313.db2.gz XCNTVRWRZUUYSD-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@H](C[N@H+]1CC(F)(F)C[C@H]1CO)C1CCC1 ZINC000660369508 411572314 /nfs/dbraw/zinc/57/23/14/411572314.db2.gz XCNTVRWRZUUYSD-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000275451262 170311381 /nfs/dbraw/zinc/31/13/81/170311381.db2.gz OXSBHGBDPSQFDY-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO C[C@H]1CCC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000657668213 411574023 /nfs/dbraw/zinc/57/40/23/411574023.db2.gz YARXNBSBSMYUGX-GXSJLCMTSA-N 1 2 209.293 1.457 20 0 BDADLO CO[C@H](C[NH2+][C@H](C)c1ncn(C)n1)C1CCC1 ZINC000660374747 411574809 /nfs/dbraw/zinc/57/48/09/411574809.db2.gz XGKLEPHRIGHJPW-MWLCHTKSSA-N 1 2 238.335 1.281 20 0 BDADLO CCOCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293794362 170351932 /nfs/dbraw/zinc/35/19/32/170351932.db2.gz CXMGDFLSRINGNW-AATRIKPKSA-N 1 2 237.303 1.354 20 0 BDADLO COc1ccnc(C[NH2+]CC2(F)CC2)c1F ZINC000657673288 411575645 /nfs/dbraw/zinc/57/56/45/411575645.db2.gz HPCYXODGYSPOKI-UHFFFAOYSA-N 1 2 228.242 1.821 20 0 BDADLO CCOCC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000282066061 170355988 /nfs/dbraw/zinc/35/59/88/170355988.db2.gz WIYJVQDJUGTNAR-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO CCOCCCC(=O)Nc1c[nH+]ccc1OC ZINC000299469743 170366565 /nfs/dbraw/zinc/36/65/65/170366565.db2.gz GNLWDXVSOAAGDO-UHFFFAOYSA-N 1 2 238.287 1.845 20 0 BDADLO CCOCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000370748538 170376472 /nfs/dbraw/zinc/37/64/72/170376472.db2.gz HAGVNNDYDJYANS-UHFFFAOYSA-N 1 2 246.314 1.528 20 0 BDADLO CCOCCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000180196158 170388581 /nfs/dbraw/zinc/38/85/81/170388581.db2.gz UBXKVAJVJLUGTN-UHFFFAOYSA-N 1 2 247.298 1.443 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000338283682 170390988 /nfs/dbraw/zinc/39/09/88/170390988.db2.gz RSDNWKPBVSXBQR-MRVPVSSYSA-N 1 2 229.349 1.876 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000338283682 170390989 /nfs/dbraw/zinc/39/09/89/170390989.db2.gz RSDNWKPBVSXBQR-MRVPVSSYSA-N 1 2 229.349 1.876 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192720390 170391009 /nfs/dbraw/zinc/39/10/09/170391009.db2.gz SOPSZYLSSYETFD-SNVBAGLBSA-N 1 2 239.319 1.520 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192720390 170391010 /nfs/dbraw/zinc/39/10/10/170391010.db2.gz SOPSZYLSSYETFD-SNVBAGLBSA-N 1 2 239.319 1.520 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C)cs1 ZINC000118533016 170391381 /nfs/dbraw/zinc/39/13/81/170391381.db2.gz PVUBDFVSLBTERH-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C)cs1 ZINC000118533016 170391383 /nfs/dbraw/zinc/39/13/83/170391383.db2.gz PVUBDFVSLBTERH-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CCC(O)CC1 ZINC000663328985 411626810 /nfs/dbraw/zinc/62/68/10/411626810.db2.gz RNPHYIRMAIXIDO-UHFFFAOYSA-N 1 2 243.310 1.778 20 0 BDADLO CCOCC[NH2+]C(CC)(CC)C(=O)OCC ZINC000309925837 170411534 /nfs/dbraw/zinc/41/15/34/170411534.db2.gz VERDJTYNNKGXFC-UHFFFAOYSA-N 1 2 231.336 1.734 20 0 BDADLO CCOc1cc(-n2cc[nH+]c2)nc(C)n1 ZINC000663342880 411634116 /nfs/dbraw/zinc/63/41/16/411634116.db2.gz SHVSHBDVCXETJZ-UHFFFAOYSA-N 1 2 204.233 1.369 20 0 BDADLO Cc1ccccc1C(F)(F)C[NH2+]CCC(N)=O ZINC000663367869 411639330 /nfs/dbraw/zinc/63/93/30/411639330.db2.gz UDJONANUUZDYQV-UHFFFAOYSA-N 1 2 242.269 1.552 20 0 BDADLO CC1(C)CC(NC(=O)NCCn2cc[nH+]c2)C1 ZINC000660821676 411647172 /nfs/dbraw/zinc/64/71/72/411647172.db2.gz YZCIPOWZSYOXTH-UHFFFAOYSA-N 1 2 236.319 1.371 20 0 BDADLO CC(=O)c1ccnc(N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000663386829 411644022 /nfs/dbraw/zinc/64/40/22/411644022.db2.gz SCBXPLAQLCCJGP-SNVBAGLBSA-N 1 2 244.298 1.981 20 0 BDADLO CCNc1nccnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000663386138 411644219 /nfs/dbraw/zinc/64/42/19/411644219.db2.gz DCERVDLLWSCNAB-SNVBAGLBSA-N 1 2 246.318 1.606 20 0 BDADLO CC(=O)c1ccnc(N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000663386827 411644263 /nfs/dbraw/zinc/64/42/63/411644263.db2.gz SCBXPLAQLCCJGP-JTQLQIEISA-N 1 2 244.298 1.981 20 0 BDADLO CC[N@@H+]1CCN([C@@H](C)c2n[nH]c(C)n2)C[C@@H]1C ZINC000663383435 411644574 /nfs/dbraw/zinc/64/45/74/411644574.db2.gz GCHCWFZXENRSHJ-UWVGGRQHSA-N 1 2 237.351 1.200 20 0 BDADLO CC[N@H+]1CCN([C@@H](C)c2n[nH]c(C)n2)C[C@@H]1C ZINC000663383435 411644578 /nfs/dbraw/zinc/64/45/78/411644578.db2.gz GCHCWFZXENRSHJ-UWVGGRQHSA-N 1 2 237.351 1.200 20 0 BDADLO CO[C@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392268 411578610 /nfs/dbraw/zinc/57/86/10/411578610.db2.gz YPBGSCQBIVSVJW-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392268 411578612 /nfs/dbraw/zinc/57/86/12/411578612.db2.gz YPBGSCQBIVSVJW-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](CO)COC(C)C)co1 ZINC000660418656 411582060 /nfs/dbraw/zinc/58/20/60/411582060.db2.gz RCZSRABDYVQYDN-GFCCVEGCSA-N 1 2 242.319 1.201 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](CO)COC(C)C)co1 ZINC000660418656 411582062 /nfs/dbraw/zinc/58/20/62/411582062.db2.gz RCZSRABDYVQYDN-GFCCVEGCSA-N 1 2 242.319 1.201 20 0 BDADLO C[C@H]([NH2+]Cc1ccncc1F)c1nccn1C ZINC000657792752 411598620 /nfs/dbraw/zinc/59/86/20/411598620.db2.gz FTXRVQYGCURUCM-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1nccn1C ZINC000657794075 411598688 /nfs/dbraw/zinc/59/86/88/411598688.db2.gz NUEGZGQEDKALDP-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3CC=CC3)C2)[nH]1 ZINC000660555789 411599567 /nfs/dbraw/zinc/59/95/67/411599567.db2.gz BLGILRDMCVLHAJ-NSHDSACASA-N 1 2 248.330 1.656 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CC=CC3)C2)[nH]1 ZINC000660555789 411599568 /nfs/dbraw/zinc/59/95/68/411599568.db2.gz BLGILRDMCVLHAJ-NSHDSACASA-N 1 2 248.330 1.656 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000660556156 411599598 /nfs/dbraw/zinc/59/95/98/411599598.db2.gz DSNHXCSVVDMWNB-HRDYMLBCSA-N 1 2 222.292 1.189 20 0 BDADLO CCc1nocc1C[N@H+]1CCN(C)C[C@@H]1CC ZINC000660645057 411611716 /nfs/dbraw/zinc/61/17/16/411611716.db2.gz RDTDFTVJADQPQW-LBPRGKRZSA-N 1 2 237.347 1.763 20 0 BDADLO CCc1nocc1C[N@@H+]1CCN(C)C[C@@H]1CC ZINC000660645057 411611717 /nfs/dbraw/zinc/61/17/17/411611717.db2.gz RDTDFTVJADQPQW-LBPRGKRZSA-N 1 2 237.347 1.763 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000660757237 411621312 /nfs/dbraw/zinc/62/13/12/411621312.db2.gz JNVGNRUYZZZGRF-LPEHRKFASA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)C[C@H](C)C2)[nH]1 ZINC000660757237 411621313 /nfs/dbraw/zinc/62/13/13/411621313.db2.gz JNVGNRUYZZZGRF-LPEHRKFASA-N 1 2 238.335 1.131 20 0 BDADLO C[C@H](NC(=O)NCCC1CC1)c1[nH+]ccn1C ZINC000660762161 411621968 /nfs/dbraw/zinc/62/19/68/411621968.db2.gz DUAVIIJPPRLEDA-VIFPVBQESA-N 1 2 236.319 1.580 20 0 BDADLO CCN(CCO)c1[nH+]ccc2c(N)cccc21 ZINC000663314381 411622263 /nfs/dbraw/zinc/62/22/63/411622263.db2.gz NCBOEKFVWRGBKN-UHFFFAOYSA-N 1 2 231.299 1.636 20 0 BDADLO Cc1cc(NCCc2cncnc2)nc[nH+]1 ZINC000528196610 411651255 /nfs/dbraw/zinc/65/12/55/411651255.db2.gz ITSIBKWQBBRALE-UHFFFAOYSA-N 1 2 215.260 1.230 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660845952 411655831 /nfs/dbraw/zinc/65/58/31/411655831.db2.gz VQLZGRIUZMYMLX-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2n[nH]c(=O)o2)c1 ZINC000660845952 411655833 /nfs/dbraw/zinc/65/58/33/411655833.db2.gz VQLZGRIUZMYMLX-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1cccnc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845750 411657176 /nfs/dbraw/zinc/65/71/76/411657176.db2.gz UEMZTQLKSFERGH-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1cccnc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845750 411657179 /nfs/dbraw/zinc/65/71/79/411657179.db2.gz UEMZTQLKSFERGH-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO C[N@H+](CCC1CCCC1)Cc1n[nH]c(=O)o1 ZINC000660850673 411657472 /nfs/dbraw/zinc/65/74/72/411657472.db2.gz WUDBFJVDDDHZLH-UHFFFAOYSA-N 1 2 225.292 1.787 20 0 BDADLO C[N@@H+](CCC1CCCC1)Cc1n[nH]c(=O)o1 ZINC000660850673 411657475 /nfs/dbraw/zinc/65/74/75/411657475.db2.gz WUDBFJVDDDHZLH-UHFFFAOYSA-N 1 2 225.292 1.787 20 0 BDADLO CCC(CC)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844740 411658209 /nfs/dbraw/zinc/65/82/09/411658209.db2.gz USEIJAGWIOTYMK-UHFFFAOYSA-N 1 2 213.281 1.643 20 0 BDADLO CCC(CC)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844740 411658212 /nfs/dbraw/zinc/65/82/12/411658212.db2.gz USEIJAGWIOTYMK-UHFFFAOYSA-N 1 2 213.281 1.643 20 0 BDADLO C[C@H](NC(=O)NC1CC=CC1)c1[nH+]ccn1C ZINC000660893971 411663911 /nfs/dbraw/zinc/66/39/11/411663911.db2.gz BOSMXZBQEWDUIB-VIFPVBQESA-N 1 2 234.303 1.499 20 0 BDADLO C[C@@H](NC(=O)NC1CC=CC1)c1[nH+]ccn1C ZINC000660893970 411664445 /nfs/dbraw/zinc/66/44/45/411664445.db2.gz BOSMXZBQEWDUIB-SECBINFHSA-N 1 2 234.303 1.499 20 0 BDADLO CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000071490779 411717660 /nfs/dbraw/zinc/71/76/60/411717660.db2.gz CTLJFZIBKPHQSV-UHFFFAOYSA-N 1 2 217.272 1.321 20 0 BDADLO FCCn1ncnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931023 411681300 /nfs/dbraw/zinc/68/13/00/411681300.db2.gz MLYLOEQWUYLGCZ-QWRGUYRKSA-N 1 2 238.310 1.622 20 0 BDADLO FCCn1ncnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931023 411681304 /nfs/dbraw/zinc/68/13/04/411681304.db2.gz MLYLOEQWUYLGCZ-QWRGUYRKSA-N 1 2 238.310 1.622 20 0 BDADLO CCOC(=O)[C@H](C)CNc1nc[nH+]c2c1CCC2 ZINC000531203206 411682547 /nfs/dbraw/zinc/68/25/47/411682547.db2.gz MSZRVPFWTKHBRM-SECBINFHSA-N 1 2 249.314 1.576 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(C2CC2)CC1 ZINC000660943237 411685701 /nfs/dbraw/zinc/68/57/01/411685701.db2.gz CEOSBPFRAVPNOI-UHFFFAOYSA-N 1 2 248.330 1.741 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(C2CC2)CC1 ZINC000660943237 411685704 /nfs/dbraw/zinc/68/57/04/411685704.db2.gz CEOSBPFRAVPNOI-UHFFFAOYSA-N 1 2 248.330 1.741 20 0 BDADLO CC(C)CNC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661085184 411697747 /nfs/dbraw/zinc/69/77/47/411697747.db2.gz IDBOBPOUVZZNNS-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2cnc[nH]2)O1 ZINC000661088444 411700091 /nfs/dbraw/zinc/70/00/91/411700091.db2.gz ICNIJBZAMXUBMX-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cnc[nH]2)O1 ZINC000661088444 411700094 /nfs/dbraw/zinc/70/00/94/411700094.db2.gz ICNIJBZAMXUBMX-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2c[nH]cn2)O1 ZINC000661088444 411700097 /nfs/dbraw/zinc/70/00/97/411700097.db2.gz ICNIJBZAMXUBMX-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2c[nH]cn2)O1 ZINC000661088444 411700099 /nfs/dbraw/zinc/70/00/99/411700099.db2.gz ICNIJBZAMXUBMX-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO C[N@H+](CCOC1CCC1)Cc1cnc[nH]1 ZINC000661089731 411701698 /nfs/dbraw/zinc/70/16/98/411701698.db2.gz GBDRDMRUIRIMMQ-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@@H+](CCOC1CCC1)Cc1cnc[nH]1 ZINC000661089731 411701702 /nfs/dbraw/zinc/70/17/02/411701702.db2.gz GBDRDMRUIRIMMQ-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](CCOC1CCC1)Cc1c[nH]cn1 ZINC000661089731 411701707 /nfs/dbraw/zinc/70/17/07/411701707.db2.gz GBDRDMRUIRIMMQ-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@@H+](CCOC1CCC1)Cc1c[nH]cn1 ZINC000661089731 411701712 /nfs/dbraw/zinc/70/17/12/411701712.db2.gz GBDRDMRUIRIMMQ-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](CCc1cscn1)Cc1cnc[nH]1 ZINC000661090810 411702533 /nfs/dbraw/zinc/70/25/33/411702533.db2.gz RZTHFKDSZVMTKC-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1cscn1)Cc1cnc[nH]1 ZINC000661090810 411702536 /nfs/dbraw/zinc/70/25/36/411702536.db2.gz RZTHFKDSZVMTKC-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](CO)C1CC1 ZINC000519776473 411735711 /nfs/dbraw/zinc/73/57/11/411735711.db2.gz OYWZGCNAJNIXRF-NSHDSACASA-N 1 2 221.304 1.524 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CCc1cncs1)CC2 ZINC000663751615 411739213 /nfs/dbraw/zinc/73/92/13/411739213.db2.gz LSYHOOUHOJKFSN-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CCc1cncs1)CC2 ZINC000663751615 411739216 /nfs/dbraw/zinc/73/92/16/411739216.db2.gz LSYHOOUHOJKFSN-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO CC/C=C/CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661263251 411745813 /nfs/dbraw/zinc/74/58/13/411745813.db2.gz ZVSUSIDKQPNIJH-PORFMDCZSA-N 1 2 236.319 1.747 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC(C2CCC2)CC1 ZINC000661374627 411752413 /nfs/dbraw/zinc/75/24/13/411752413.db2.gz NKEMDVGZPZOPMX-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC(C2CCC2)CC1 ZINC000661374627 411752419 /nfs/dbraw/zinc/75/24/19/411752419.db2.gz NKEMDVGZPZOPMX-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC(C2CCC2)CC1 ZINC000661374627 411752421 /nfs/dbraw/zinc/75/24/21/411752421.db2.gz NKEMDVGZPZOPMX-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cc1nncn1C)CC2 ZINC000661371065 411757630 /nfs/dbraw/zinc/75/76/30/411757630.db2.gz BWKDGEKJFNEHME-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cc1nncn1C)CC2 ZINC000661371065 411757633 /nfs/dbraw/zinc/75/76/33/411757633.db2.gz BWKDGEKJFNEHME-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1nnc(NCc2ccc[nH+]c2N)nc1C ZINC000663962627 411792854 /nfs/dbraw/zinc/79/28/54/411792854.db2.gz OIEASKRSGJLPAE-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1nc(CNc2nc(C)[nH+]cc2C)no1 ZINC000516218804 411760810 /nfs/dbraw/zinc/76/08/10/411760810.db2.gz IFFMKUYMVDVPCT-UHFFFAOYSA-N 1 2 219.248 1.397 20 0 BDADLO CCc1cc(NC(=O)C[NH+]2CC(C)(C)C2)n[nH]1 ZINC000616351685 411762890 /nfs/dbraw/zinc/76/28/90/411762890.db2.gz CISGDOMLXKLMRJ-UHFFFAOYSA-N 1 2 236.319 1.252 20 0 BDADLO CCc1cc(NC[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000624666121 411769388 /nfs/dbraw/zinc/76/93/88/411769388.db2.gz LWCPIOITWGMERD-CZMCAQCFSA-N 1 2 207.277 1.222 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(F)F ZINC000661401191 411769517 /nfs/dbraw/zinc/76/95/17/411769517.db2.gz ANIDXMXJZIPJSV-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(F)F ZINC000661401191 411769519 /nfs/dbraw/zinc/76/95/19/411769519.db2.gz ANIDXMXJZIPJSV-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO CCc1cc(NCc2cccc(CO)n2)nc[nH+]1 ZINC000631334559 411769513 /nfs/dbraw/zinc/76/95/13/411769513.db2.gz GCLYKVOHIQIJID-UHFFFAOYSA-N 1 2 244.298 1.538 20 0 BDADLO O[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000661405814 411769607 /nfs/dbraw/zinc/76/96/07/411769607.db2.gz GVNZKIBSLAVQFZ-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000661405814 411769610 /nfs/dbraw/zinc/76/96/10/411769610.db2.gz GVNZKIBSLAVQFZ-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO CC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CCC1 ZINC000661409352 411770495 /nfs/dbraw/zinc/77/04/95/411770495.db2.gz UXINNCFBQLJCHP-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO CC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)CCC1 ZINC000661409352 411770499 /nfs/dbraw/zinc/77/04/99/411770499.db2.gz UXINNCFBQLJCHP-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000661443434 411771820 /nfs/dbraw/zinc/77/18/20/411771820.db2.gz QSBLJYXSMLUCPN-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000661443434 411771824 /nfs/dbraw/zinc/77/18/24/411771824.db2.gz QSBLJYXSMLUCPN-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO CCc1nc(N2CCc3nc[nH]c3C2)cc(C)[nH+]1 ZINC000663920644 411776157 /nfs/dbraw/zinc/77/61/57/411776157.db2.gz XKTHAYRZFVUUJR-UHFFFAOYSA-N 1 2 243.314 1.633 20 0 BDADLO NC(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440933 411778365 /nfs/dbraw/zinc/77/83/65/411778365.db2.gz VSOLVYPKOGHPMX-LBPRGKRZSA-N 1 2 234.299 1.682 20 0 BDADLO NC(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440933 411778370 /nfs/dbraw/zinc/77/83/70/411778370.db2.gz VSOLVYPKOGHPMX-LBPRGKRZSA-N 1 2 234.299 1.682 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ccn(CC)n2)[nH+]1 ZINC000636173031 411780437 /nfs/dbraw/zinc/78/04/37/411780437.db2.gz MMUZDYXIYKRCHD-UHFFFAOYSA-N 1 2 247.302 1.370 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661465360 411782571 /nfs/dbraw/zinc/78/25/71/411782571.db2.gz AHYUOGADNAYNNZ-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661465360 411782573 /nfs/dbraw/zinc/78/25/73/411782573.db2.gz AHYUOGADNAYNNZ-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO OC[C@@H]([NH2+]Cc1nnsc1Cl)C1CCC1 ZINC000661159371 411724382 /nfs/dbraw/zinc/72/43/82/411724382.db2.gz VDPXVQGSSFHZBT-MRVPVSSYSA-N 1 2 247.751 1.442 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)n1 ZINC000661168992 411726189 /nfs/dbraw/zinc/72/61/89/411726189.db2.gz RHOOQQYSEOHBLZ-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)n1 ZINC000661168992 411726192 /nfs/dbraw/zinc/72/61/92/411726192.db2.gz RHOOQQYSEOHBLZ-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515057 411794819 /nfs/dbraw/zinc/79/48/19/411794819.db2.gz USDLRJHMOSXMQS-NSHDSACASA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515057 411794821 /nfs/dbraw/zinc/79/48/21/411794821.db2.gz USDLRJHMOSXMQS-NSHDSACASA-N 1 2 222.263 1.319 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2nnc(C)o2)n1 ZINC000661528938 411795833 /nfs/dbraw/zinc/79/58/33/411795833.db2.gz CFMRSHVIVOAANP-UHFFFAOYSA-N 1 2 249.318 1.323 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2nnc(C)o2)n1 ZINC000661528938 411795837 /nfs/dbraw/zinc/79/58/37/411795837.db2.gz CFMRSHVIVOAANP-UHFFFAOYSA-N 1 2 249.318 1.323 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC1(C)C ZINC000663975926 411798492 /nfs/dbraw/zinc/79/84/92/411798492.db2.gz SWGUHUFWSZCMRS-LBPRGKRZSA-N 1 2 236.319 1.408 20 0 BDADLO CCCCOCC[N@H+](C)Cc1nnc(C)o1 ZINC000661532018 411798581 /nfs/dbraw/zinc/79/85/81/411798581.db2.gz OUQXBPOHKMPLFO-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1nnc(C)o1 ZINC000661532018 411798583 /nfs/dbraw/zinc/79/85/83/411798583.db2.gz OUQXBPOHKMPLFO-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOCCC(C)C)o1 ZINC000661532096 411798626 /nfs/dbraw/zinc/79/86/26/411798626.db2.gz RJOGWWDTHHHMAS-UHFFFAOYSA-N 1 2 241.335 1.873 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOCCC(C)C)o1 ZINC000661532096 411798628 /nfs/dbraw/zinc/79/86/28/411798628.db2.gz RJOGWWDTHHHMAS-UHFFFAOYSA-N 1 2 241.335 1.873 20 0 BDADLO CC[C@@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000188656104 170686614 /nfs/dbraw/zinc/68/66/14/170686614.db2.gz GUVCAPZICNLZSL-SNVBAGLBSA-N 1 2 209.293 1.436 20 0 BDADLO CCc1cc(NCc2cc(=O)cc[nH]2)nc[nH+]1 ZINC000664009846 411811262 /nfs/dbraw/zinc/81/12/62/411811262.db2.gz OQXHXDAXLXRPOR-UHFFFAOYSA-N 1 2 230.271 1.339 20 0 BDADLO Nc1[nH+]cccc1CO[C@@H]1CCCc2c[nH]nc21 ZINC000664016150 411814381 /nfs/dbraw/zinc/81/43/81/411814381.db2.gz NGYVLGNYBZUSAT-LLVKDONJSA-N 1 2 244.298 1.981 20 0 BDADLO CCc1nc(C)c(COCc2[nH]cc[nH+]2)o1 ZINC000664032207 411820242 /nfs/dbraw/zinc/82/02/42/411820242.db2.gz GQWLSVZJKJDBDV-UHFFFAOYSA-N 1 2 221.260 1.985 20 0 BDADLO Cc1nn(C)c(OCc2ccc[nH+]c2N)c1C ZINC000664030375 411820538 /nfs/dbraw/zinc/82/05/38/411820538.db2.gz GPTQGHYPGNJPND-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO FC1(F)C[C@H]1OCCOCc1[nH]cc[nH+]1 ZINC000664033196 411820669 /nfs/dbraw/zinc/82/06/69/411820669.db2.gz NEYJNMPTJHCUFS-SSDOTTSWSA-N 1 2 218.203 1.351 20 0 BDADLO CCn1nncc1CNc1cc[nH+]c(C)n1 ZINC000528064308 411824550 /nfs/dbraw/zinc/82/45/50/411824550.db2.gz PKRSCJQWWGNWSM-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H](CCF)C2)[nH]1 ZINC000661691912 411842112 /nfs/dbraw/zinc/84/21/12/411842112.db2.gz ZWNJOPMARNIBBE-QMMMGPOBSA-N 1 2 228.271 1.082 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H](CCF)C2)[nH]1 ZINC000661691912 411842114 /nfs/dbraw/zinc/84/21/14/411842114.db2.gz ZWNJOPMARNIBBE-QMMMGPOBSA-N 1 2 228.271 1.082 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000360016745 170746852 /nfs/dbraw/zinc/74/68/52/170746852.db2.gz BTUWSSUTUNZRJI-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO OCCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661729858 411861236 /nfs/dbraw/zinc/86/12/36/411861236.db2.gz FXMPOJLKWDFHLN-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661729858 411861241 /nfs/dbraw/zinc/86/12/41/411861241.db2.gz FXMPOJLKWDFHLN-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO CCC(=O)CCC[N@H+](C)Cc1cn(C)nn1 ZINC000661743779 411862747 /nfs/dbraw/zinc/86/27/47/411862747.db2.gz MHXGTIYWXVYVFH-UHFFFAOYSA-N 1 2 224.308 1.006 20 0 BDADLO CCC(=O)CCC[N@@H+](C)Cc1cn(C)nn1 ZINC000661743779 411862752 /nfs/dbraw/zinc/86/27/52/411862752.db2.gz MHXGTIYWXVYVFH-UHFFFAOYSA-N 1 2 224.308 1.006 20 0 BDADLO Cc1nc(C[N@@H+]2CCC(=O)N(C)CC2)cs1 ZINC000661806281 411884937 /nfs/dbraw/zinc/88/49/37/411884937.db2.gz GWDOPHQNMOTIOW-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1nc(C[N@H+]2CCC(=O)N(C)CC2)cs1 ZINC000661806281 411884941 /nfs/dbraw/zinc/88/49/41/411884941.db2.gz GWDOPHQNMOTIOW-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO CO[C@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)C12CCC2 ZINC000631301031 411898879 /nfs/dbraw/zinc/89/88/79/411898879.db2.gz MZXCQSLOGUVEIX-IUCAKERBSA-N 1 2 249.318 1.132 20 0 BDADLO CO[C@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)C12CCC2 ZINC000631301031 411898884 /nfs/dbraw/zinc/89/88/84/411898884.db2.gz MZXCQSLOGUVEIX-IUCAKERBSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C2(CO)CC2)[nH+]1 ZINC000664271495 411907787 /nfs/dbraw/zinc/90/77/87/411907787.db2.gz KXLZXZNADSHRNU-QMMMGPOBSA-N 1 2 246.314 1.839 20 0 BDADLO COCCN(CCF)c1cc[nH+]c(C)n1 ZINC000664305039 411916326 /nfs/dbraw/zinc/91/63/26/411916326.db2.gz BETZOEIISCHHRG-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO Cc1nc(N2CCC[C@@](O)(C3CC3)C2)cc[nH+]1 ZINC000664350760 411929618 /nfs/dbraw/zinc/92/96/18/411929618.db2.gz OEYNQVVENCMIRW-ZDUSSCGKSA-N 1 2 233.315 1.526 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](CO)C2CCC2)[nH+]1 ZINC000664171066 411877966 /nfs/dbraw/zinc/87/79/66/411877966.db2.gz LTUYYCAULLOSDO-LLVKDONJSA-N 1 2 246.314 1.839 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2[C@H](C)O)[nH]1 ZINC000661767396 411878114 /nfs/dbraw/zinc/87/81/14/411878114.db2.gz LGKQKPWBMQEETP-VHSXEESVSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)[nH]1 ZINC000661767396 411878120 /nfs/dbraw/zinc/87/81/20/411878120.db2.gz LGKQKPWBMQEETP-VHSXEESVSA-N 1 2 238.335 1.273 20 0 BDADLO CCc1cc(NC[C@@H](CO)CC2CC2)nc[nH+]1 ZINC000664464713 411966282 /nfs/dbraw/zinc/96/62/82/411966282.db2.gz WOGOCJHJCCZMRX-NSHDSACASA-N 1 2 235.331 1.860 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCC3(COC3)C2)on1 ZINC000662074043 411968481 /nfs/dbraw/zinc/96/84/81/411968481.db2.gz OXPDYGNSJNUYSZ-UHFFFAOYSA-N 1 2 236.271 1.100 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCC3(COC3)C2)on1 ZINC000662074043 411968483 /nfs/dbraw/zinc/96/84/83/411968483.db2.gz OXPDYGNSJNUYSZ-UHFFFAOYSA-N 1 2 236.271 1.100 20 0 BDADLO CCc1cc(NCCc2cncc(C)n2)nc[nH+]1 ZINC000664487257 411970559 /nfs/dbraw/zinc/97/05/59/411970559.db2.gz KVEMUSPJJZKDAG-UHFFFAOYSA-N 1 2 243.314 1.792 20 0 BDADLO CC(C)CC1([NH2+]Cc2n[nH]c(=O)[nH]2)CC1 ZINC000662072374 411973650 /nfs/dbraw/zinc/97/36/50/411973650.db2.gz REVYWXFERUDZNO-UHFFFAOYSA-N 1 2 210.281 1.179 20 0 BDADLO c1ccc(N2CC[C@H]3COC[C@@H]3C2)[nH+]c1 ZINC000664554364 411984703 /nfs/dbraw/zinc/98/47/03/411984703.db2.gz AFIZEZTZKIKKLH-QWRGUYRKSA-N 1 2 204.273 1.554 20 0 BDADLO Cc1nc(N2CC[C@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000664557449 411986423 /nfs/dbraw/zinc/98/64/23/411986423.db2.gz QVIZKHSXWXWLGG-QWRGUYRKSA-N 1 2 219.288 1.258 20 0 BDADLO C[C@H](NC(=O)N(C)CC1CC1)c1[nH+]ccn1C ZINC000662097791 411988316 /nfs/dbraw/zinc/98/83/16/411988316.db2.gz SLWYOOBHZWQUGI-VIFPVBQESA-N 1 2 236.319 1.533 20 0 BDADLO C[C@@H](NC(=O)N1CCC[C@H]1C)c1[nH+]ccn1C ZINC000662102875 411988894 /nfs/dbraw/zinc/98/88/94/411988894.db2.gz ZNIWMGDTUQETMT-NXEZZACHSA-N 1 2 236.319 1.675 20 0 BDADLO C[C@H](NC(=O)Nc1cnn(C)c1)c1[nH+]ccn1C ZINC000664577101 411990468 /nfs/dbraw/zinc/99/04/68/411990468.db2.gz DDMMIYIOEYKCBU-QMMMGPOBSA-N 1 2 248.290 1.036 20 0 BDADLO Cc1cc(N2CCC3(COC3)C2)nc[nH+]1 ZINC000664572631 411991015 /nfs/dbraw/zinc/99/10/15/411991015.db2.gz MONPPZFGKJVWLC-UHFFFAOYSA-N 1 2 205.261 1.012 20 0 BDADLO FC(F)COCC[N@@H+]1CCc2nccnc2C1 ZINC000662121579 411992109 /nfs/dbraw/zinc/99/21/09/411992109.db2.gz OSSGLBQJIWWBIB-UHFFFAOYSA-N 1 2 243.257 1.116 20 0 BDADLO FC(F)COCC[N@H+]1CCc2nccnc2C1 ZINC000662121579 411992110 /nfs/dbraw/zinc/99/21/10/411992110.db2.gz OSSGLBQJIWWBIB-UHFFFAOYSA-N 1 2 243.257 1.116 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@]1(C)CO ZINC000664593516 411992850 /nfs/dbraw/zinc/99/28/50/411992850.db2.gz CUZXWODDMKSJFA-CMPLNLGQSA-N 1 2 206.289 1.536 20 0 BDADLO C[C@H](Nc1cnccn1)c1[nH+]ccn1C ZINC000664608235 411997664 /nfs/dbraw/zinc/99/76/64/411997664.db2.gz CKGIJETXNVLAAE-QMMMGPOBSA-N 1 2 203.249 1.383 20 0 BDADLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)nn1 ZINC000664608543 411998876 /nfs/dbraw/zinc/99/88/76/411998876.db2.gz GSBXYXSPZMXHRT-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO C[C@H](NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1[nH+]ccn1C ZINC000664773186 412021019 /nfs/dbraw/zinc/02/10/19/412021019.db2.gz SOKLZKYYNNHWSY-UKKRHICBSA-N 1 2 248.330 1.579 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029617 411945363 /nfs/dbraw/zinc/94/53/63/411945363.db2.gz HUWXKAGRMIALQF-UTLUCORTSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029617 411945366 /nfs/dbraw/zinc/94/53/66/411945366.db2.gz HUWXKAGRMIALQF-UTLUCORTSA-N 1 2 239.344 1.567 20 0 BDADLO CCc1cc(N2CCC[C@@H]2[C@H](C)O)nc(C)[nH+]1 ZINC000664440354 411959494 /nfs/dbraw/zinc/95/94/94/411959494.db2.gz UOFZDOVIQWSAJC-JOYOIKCWSA-N 1 2 235.331 1.697 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662222135 412030853 /nfs/dbraw/zinc/03/08/53/412030853.db2.gz GIZYYVLJOGASCO-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)CC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662222135 412030856 /nfs/dbraw/zinc/03/08/56/412030856.db2.gz GIZYYVLJOGASCO-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000664860250 412032314 /nfs/dbraw/zinc/03/23/14/412032314.db2.gz FIDFRIJIJBZDIO-UHFFFAOYSA-N 1 2 249.343 1.518 20 0 BDADLO Cc1nnsc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000664860250 412032319 /nfs/dbraw/zinc/03/23/19/412032319.db2.gz FIDFRIJIJBZDIO-UHFFFAOYSA-N 1 2 249.343 1.518 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229870 412033230 /nfs/dbraw/zinc/03/32/30/412033230.db2.gz YSWKSGMQRPNUKW-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229870 412033233 /nfs/dbraw/zinc/03/32/33/412033233.db2.gz YSWKSGMQRPNUKW-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO c1n[nH]c2c1C[N@H+](CC[C@@H]1CCOC1)CCC2 ZINC000664861834 412034917 /nfs/dbraw/zinc/03/49/17/412034917.db2.gz ZFUDDVDTFTWFPQ-LLVKDONJSA-N 1 2 235.331 1.585 20 0 BDADLO c1n[nH]c2c1C[N@@H+](CC[C@@H]1CCOC1)CCC2 ZINC000664861834 412034919 /nfs/dbraw/zinc/03/49/19/412034919.db2.gz ZFUDDVDTFTWFPQ-LLVKDONJSA-N 1 2 235.331 1.585 20 0 BDADLO COCC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662239883 412037463 /nfs/dbraw/zinc/03/74/63/412037463.db2.gz YDQJUISTYUYJHA-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662239883 412037466 /nfs/dbraw/zinc/03/74/66/412037466.db2.gz YDQJUISTYUYJHA-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@@H]1CCN1C(=O)NCc1[nH+]ccn1CC ZINC000298381283 171017982 /nfs/dbraw/zinc/01/79/82/171017982.db2.gz IXHJMHRIIVRSKI-SNVBAGLBSA-N 1 2 236.319 1.597 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H](C)O1 ZINC000111694633 171076855 /nfs/dbraw/zinc/07/68/55/171076855.db2.gz QTZOYYZDPKWXDF-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H](C)O1 ZINC000111694633 171076857 /nfs/dbraw/zinc/07/68/57/171076857.db2.gz QTZOYYZDPKWXDF-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(OC)nn2)CCO1 ZINC000283627851 171089005 /nfs/dbraw/zinc/08/90/05/171089005.db2.gz RYYLWQDUZOOGGS-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)nn2)CCO1 ZINC000283627851 171089011 /nfs/dbraw/zinc/08/90/11/171089011.db2.gz RYYLWQDUZOOGGS-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccc2OC)CCO1 ZINC000287513425 171090241 /nfs/dbraw/zinc/09/02/41/171090241.db2.gz YPVSAXVHUBHCCR-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccc2OC)CCO1 ZINC000287513425 171090248 /nfs/dbraw/zinc/09/02/48/171090248.db2.gz YPVSAXVHUBHCCR-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)C2CC2)C[C@H](C)O1 ZINC000359594715 171096167 /nfs/dbraw/zinc/09/61/67/171096167.db2.gz KXMRMMKUVCLCMU-WCQGTBRESA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)C2CC2)C[C@H](C)O1 ZINC000359594715 171096169 /nfs/dbraw/zinc/09/61/69/171096169.db2.gz KXMRMMKUVCLCMU-WCQGTBRESA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000270463326 171097903 /nfs/dbraw/zinc/09/79/03/171097903.db2.gz LJYVAWLCFLGJIR-YGRLFVJLSA-N 1 2 243.310 1.837 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccon1 ZINC000265827880 171113449 /nfs/dbraw/zinc/11/34/49/171113449.db2.gz JTDHJAJFAABKDQ-MWLCHTKSSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccon1 ZINC000265827880 171113450 /nfs/dbraw/zinc/11/34/50/171113450.db2.gz JTDHJAJFAABKDQ-MWLCHTKSSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354334329 171116784 /nfs/dbraw/zinc/11/67/84/171116784.db2.gz ZWTBCOFOFOAXAG-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](CC)Cc1ccncc1 ZINC000271056114 171240246 /nfs/dbraw/zinc/24/02/46/171240246.db2.gz ZKSYKCUREWCBLX-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](CC)Cc1ccncc1 ZINC000271056114 171240247 /nfs/dbraw/zinc/24/02/47/171240247.db2.gz ZKSYKCUREWCBLX-GFCCVEGCSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362573667 171241625 /nfs/dbraw/zinc/24/16/25/171241625.db2.gz VVZIRSHJUKSORS-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362573667 171241628 /nfs/dbraw/zinc/24/16/28/171241628.db2.gz VVZIRSHJUKSORS-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@H](C(N)=O)[N@H+](C)Cc1cnc(C)s1 ZINC000171078636 171242748 /nfs/dbraw/zinc/24/27/48/171242748.db2.gz IDBDNLSULIVSIE-SECBINFHSA-N 1 2 227.333 1.147 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1cnc(C)s1 ZINC000171078636 171242749 /nfs/dbraw/zinc/24/27/49/171242749.db2.gz IDBDNLSULIVSIE-SECBINFHSA-N 1 2 227.333 1.147 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1c[nH]nc1C ZINC000281241709 171312063 /nfs/dbraw/zinc/31/20/63/171312063.db2.gz LTFCBYUXSSEXIT-VIFPVBQESA-N 1 2 239.319 1.492 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1c[nH]nc1C ZINC000281241709 171312066 /nfs/dbraw/zinc/31/20/66/171312066.db2.gz LTFCBYUXSSEXIT-VIFPVBQESA-N 1 2 239.319 1.492 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084195 171334470 /nfs/dbraw/zinc/33/44/70/171334470.db2.gz ASUKYXPWODLORR-FIQHERPVSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084195 171334471 /nfs/dbraw/zinc/33/44/71/171334471.db2.gz ASUKYXPWODLORR-FIQHERPVSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000360016743 171335706 /nfs/dbraw/zinc/33/57/06/171335706.db2.gz BTUWSSUTUNZRJI-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000264141089 171386580 /nfs/dbraw/zinc/38/65/80/171386580.db2.gz IXJFETZMIVVMHN-UWVGGRQHSA-N 1 2 238.335 1.654 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+]Cc1ccn[nH]1)OC ZINC000294290851 171392561 /nfs/dbraw/zinc/39/25/61/171392561.db2.gz UECNNXDSVISQOO-ONGXEEELSA-N 1 2 211.309 1.560 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000665188397 412123758 /nfs/dbraw/zinc/12/37/58/412123758.db2.gz MVLJYUCETJRWGV-ILWJIGKKSA-N 1 2 234.303 1.350 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000665188397 412123762 /nfs/dbraw/zinc/12/37/62/412123762.db2.gz MVLJYUCETJRWGV-ILWJIGKKSA-N 1 2 234.303 1.350 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)CSC)c1[nH]cc[nH+]1 ZINC000300774720 171504419 /nfs/dbraw/zinc/50/44/19/171504419.db2.gz KRQXMPFOGZVDAZ-IUCAKERBSA-N 1 2 241.360 1.976 20 0 BDADLO OCc1cc2c(cc1-c1c[nH]c[nH+]1)OCCO2 ZINC000665223632 412161556 /nfs/dbraw/zinc/16/15/56/412161556.db2.gz QMJNJMBOHWPREX-UHFFFAOYSA-N 1 2 232.239 1.340 20 0 BDADLO Cn1c[nH+]cc1-c1cc2c(cc1CO)OCCO2 ZINC000665223547 412161835 /nfs/dbraw/zinc/16/18/35/412161835.db2.gz NWTUYCPYNNYUMY-UHFFFAOYSA-N 1 2 246.266 1.351 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(NCc2c[nH+]cn2C)o1 ZINC000630962828 412269771 /nfs/dbraw/zinc/26/97/71/412269771.db2.gz SQZOOEXBKUDVJD-CBAPKCEASA-N 1 2 233.275 1.539 20 0 BDADLO CN(CC(F)F)C(C)(C)C[NH+]1CCOCC1 ZINC000665280380 412224386 /nfs/dbraw/zinc/22/43/86/412224386.db2.gz HIUZYDLWTUMWRP-UHFFFAOYSA-N 1 2 236.306 1.294 20 0 BDADLO Fc1cnccc1NCc1c[nH+]c2n1CCC2 ZINC000663255740 412402536 /nfs/dbraw/zinc/40/25/36/412402536.db2.gz IFNPADAQJGUKFM-UHFFFAOYSA-N 1 2 232.262 1.397 20 0 BDADLO CCc1nc([C@@H]2CCC[N@@H+]2C[C@H](C)O)no1 ZINC000369390153 172003553 /nfs/dbraw/zinc/00/35/53/172003553.db2.gz XDDOMHTWEJPYSZ-IUCAKERBSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nc([C@@H]2CCC[N@H+]2C[C@H](C)O)no1 ZINC000369390153 172003555 /nfs/dbraw/zinc/00/35/55/172003555.db2.gz XDDOMHTWEJPYSZ-IUCAKERBSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)[nH]1 ZINC000285308591 172007668 /nfs/dbraw/zinc/00/76/68/172007668.db2.gz SLJJKINXCBOMEY-YUMQZZPRSA-N 1 2 234.307 1.502 20 0 BDADLO CCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000333293023 172008512 /nfs/dbraw/zinc/00/85/12/172008512.db2.gz ASUXQWAHLZGTRW-NXEZZACHSA-N 1 2 237.303 1.558 20 0 BDADLO CCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000333293023 172008515 /nfs/dbraw/zinc/00/85/15/172008515.db2.gz ASUXQWAHLZGTRW-NXEZZACHSA-N 1 2 237.303 1.558 20 0 BDADLO CCc1ncc(CN2CCn3c[nH+]cc3C2)s1 ZINC000291619318 172017146 /nfs/dbraw/zinc/01/71/46/172017146.db2.gz RNLFYKSOYKVOQZ-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCc1nnc(C[N@H+](C(C)C)[C@@H]2CCOC2)o1 ZINC000361414253 172047401 /nfs/dbraw/zinc/04/74/01/172047401.db2.gz IIHKYCFOZIPSBR-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@@H+](C(C)C)[C@@H]2CCOC2)o1 ZINC000361414253 172047404 /nfs/dbraw/zinc/04/74/04/172047404.db2.gz IIHKYCFOZIPSBR-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCn2ccnc2)o1 ZINC000124446739 172048077 /nfs/dbraw/zinc/04/80/77/172048077.db2.gz PAZDBFBFMPWLPX-UHFFFAOYSA-N 1 2 249.318 1.351 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCn2ccnc2)o1 ZINC000124446739 172048080 /nfs/dbraw/zinc/04/80/80/172048080.db2.gz PAZDBFBFMPWLPX-UHFFFAOYSA-N 1 2 249.318 1.351 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)o1 ZINC000369869068 172049821 /nfs/dbraw/zinc/04/98/21/172049821.db2.gz XCIQTWUYROAPNM-NXEZZACHSA-N 1 2 237.303 1.385 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H]3OCC[C@H]32)o1 ZINC000369869068 172049822 /nfs/dbraw/zinc/04/98/22/172049822.db2.gz XCIQTWUYROAPNM-NXEZZACHSA-N 1 2 237.303 1.385 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccco2)s1 ZINC000289830486 172052344 /nfs/dbraw/zinc/05/23/44/172052344.db2.gz OFZSQKXYEMCJNI-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000273403953 172088575 /nfs/dbraw/zinc/08/85/75/172088575.db2.gz RKCYMXDRIOFCFF-RKDXNWHRSA-N 1 2 249.318 1.777 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1ccno1 ZINC000293346241 172095218 /nfs/dbraw/zinc/09/52/18/172095218.db2.gz HKSWIJNYLPRMRJ-UHFFFAOYSA-N 1 2 221.260 1.857 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1ccno1 ZINC000293346241 172095223 /nfs/dbraw/zinc/09/52/23/172095223.db2.gz HKSWIJNYLPRMRJ-UHFFFAOYSA-N 1 2 221.260 1.857 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](C)C1 ZINC000334424953 172098084 /nfs/dbraw/zinc/09/80/84/172098084.db2.gz UGDMXFHPVCIRQD-SECBINFHSA-N 1 2 210.277 1.458 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](C)C1 ZINC000334424953 172098087 /nfs/dbraw/zinc/09/80/87/172098087.db2.gz UGDMXFHPVCIRQD-SECBINFHSA-N 1 2 210.277 1.458 20 0 BDADLO CCc1nocc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000353364530 172098496 /nfs/dbraw/zinc/09/84/96/172098496.db2.gz NXBUCPPILBJQNX-NSHDSACASA-N 1 2 228.267 1.143 20 0 BDADLO CCc1nocc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000353364530 172098497 /nfs/dbraw/zinc/09/84/97/172098497.db2.gz NXBUCPPILBJQNX-NSHDSACASA-N 1 2 228.267 1.143 20 0 BDADLO CCc1nocc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000353491695 172098662 /nfs/dbraw/zinc/09/86/62/172098662.db2.gz KUMDWEIQDOOHDN-GFCCVEGCSA-N 1 2 242.294 1.533 20 0 BDADLO CCc1nocc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000353491695 172098664 /nfs/dbraw/zinc/09/86/64/172098664.db2.gz KUMDWEIQDOOHDN-GFCCVEGCSA-N 1 2 242.294 1.533 20 0 BDADLO CCc1nocc1C[NH2+]Cc1ccn(C)n1 ZINC000339332479 172101313 /nfs/dbraw/zinc/10/13/13/172101313.db2.gz DMNJLVQGWBFWBD-UHFFFAOYSA-N 1 2 220.276 1.260 20 0 BDADLO CCn1cc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000130867803 172164057 /nfs/dbraw/zinc/16/40/57/172164057.db2.gz INLBRPVKMNNNIC-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000130867803 172164059 /nfs/dbraw/zinc/16/40/59/172164059.db2.gz INLBRPVKMNNNIC-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000179860931 172164498 /nfs/dbraw/zinc/16/44/98/172164498.db2.gz XDNBLMZHRLFSRW-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000179860931 172164500 /nfs/dbraw/zinc/16/45/00/172164500.db2.gz XDNBLMZHRLFSRW-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(CN2CCc3c([nH+]cn3C)C2)cn1 ZINC000374420556 172164723 /nfs/dbraw/zinc/16/47/23/172164723.db2.gz LUAUBCXJZCDDJZ-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1cc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000283715755 172175495 /nfs/dbraw/zinc/17/54/95/172175495.db2.gz APJJEGKGLKLQOJ-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1ccnn1CC ZINC000352368242 172217373 /nfs/dbraw/zinc/21/73/73/172217373.db2.gz GDLFBVXCYUXHML-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccc(C)o1 ZINC000295555859 172221602 /nfs/dbraw/zinc/22/16/02/172221602.db2.gz FCFAHRLEXLEDJZ-UHFFFAOYSA-N 1 2 233.271 1.734 20 0 BDADLO CCn1cc[nH+]c1CNC(C)(C)c1noc(C)n1 ZINC000330621791 172221606 /nfs/dbraw/zinc/22/16/06/172221606.db2.gz BVSYIOICLFHARB-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1[nH]ccc1C ZINC000295448578 172221920 /nfs/dbraw/zinc/22/19/20/172221920.db2.gz ATYXHCIAPBZPGS-UHFFFAOYSA-N 1 2 232.287 1.470 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1(C)CCC1 ZINC000297997779 172222299 /nfs/dbraw/zinc/22/22/99/172222299.db2.gz CXRKWXOJAFMENU-UHFFFAOYSA-N 1 2 236.319 1.645 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1coc(C)c1 ZINC000295535733 172222492 /nfs/dbraw/zinc/22/24/92/172222492.db2.gz CCFQPAQYBKSPHZ-UHFFFAOYSA-N 1 2 233.271 1.734 20 0 BDADLO CCn1cc[nH+]c1CNc1nnc(C2CC2)o1 ZINC000270454039 172226021 /nfs/dbraw/zinc/22/60/21/172226021.db2.gz DGIASYJULPDIIV-UHFFFAOYSA-N 1 2 233.275 1.776 20 0 BDADLO CCn1cnnc1CCNc1cc(C)[nH+]cn1 ZINC000301394816 172234676 /nfs/dbraw/zinc/23/46/76/172234676.db2.gz KUZWHZZTEITIRZ-UHFFFAOYSA-N 1 2 232.291 1.051 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1ccncc1 ZINC000183745475 172262772 /nfs/dbraw/zinc/26/27/72/172262772.db2.gz XJHLOBJUQZTECP-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1ccncc1 ZINC000183745475 172262775 /nfs/dbraw/zinc/26/27/75/172262775.db2.gz XJHLOBJUQZTECP-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1nc(C)no1 ZINC000361602241 172272448 /nfs/dbraw/zinc/27/24/48/172272448.db2.gz IOSVZGASFPZZQE-QMMMGPOBSA-N 1 2 235.291 1.445 20 0 BDADLO CCn1nccc1NC(=O)CCc1c[nH+]cn1C ZINC000339098919 172274351 /nfs/dbraw/zinc/27/43/51/172274351.db2.gz MTIBWSMUJPFLRW-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CCn1ncnc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361417961 172278568 /nfs/dbraw/zinc/27/85/68/172278568.db2.gz ZNRQMEYFHUWLKJ-NSHDSACASA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361417961 172278569 /nfs/dbraw/zinc/27/85/69/172278569.db2.gz ZNRQMEYFHUWLKJ-NSHDSACASA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000365884207 172278602 /nfs/dbraw/zinc/27/86/02/172278602.db2.gz SJOAEASDVLIVMX-JTQLQIEISA-N 1 2 246.318 1.358 20 0 BDADLO CCn1ncnc1CNc1cc[nH+]c(C(C)C)n1 ZINC000360123994 172281120 /nfs/dbraw/zinc/28/11/20/172281120.db2.gz RGGSTTKGFIVDFH-UHFFFAOYSA-N 1 2 246.318 1.245 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000283482666 172294143 /nfs/dbraw/zinc/29/41/43/172294143.db2.gz NLLXIJPFQRSPJJ-VOTSOKGWSA-N 1 2 219.288 1.824 20 0 BDADLO CN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@@H]1CCOC1 ZINC000365822124 172333504 /nfs/dbraw/zinc/33/35/04/172333504.db2.gz UMFUOOFSIMUZRL-MNOVXSKESA-N 1 2 249.314 1.008 20 0 BDADLO Cn1ncnc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000172718575 172936108 /nfs/dbraw/zinc/93/61/08/172936108.db2.gz KLTBGMVUEPMKIW-CYBMUJFWSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1ncnc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000172718575 172936110 /nfs/dbraw/zinc/93/61/10/172936110.db2.gz KLTBGMVUEPMKIW-CYBMUJFWSA-N 1 2 242.326 1.934 20 0 BDADLO CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000067446293 173087229 /nfs/dbraw/zinc/08/72/29/173087229.db2.gz XBQGYSADMACISA-UHFFFAOYSA-N 1 2 232.327 1.369 20 0 BDADLO CN1CC[N@H+](Cc2ccc3c(c2)CCC3)CC1=O ZINC000172660598 173088801 /nfs/dbraw/zinc/08/88/01/173088801.db2.gz KLMAKHLESYRUCV-UHFFFAOYSA-N 1 2 244.338 1.449 20 0 BDADLO CN1CC[N@@H+](Cc2ccc3c(c2)CCC3)CC1=O ZINC000172660598 173088803 /nfs/dbraw/zinc/08/88/03/173088803.db2.gz KLMAKHLESYRUCV-UHFFFAOYSA-N 1 2 244.338 1.449 20 0 BDADLO C[NH+]1CCN(c2nnc(C(F)F)s2)CC1 ZINC000268565457 173096394 /nfs/dbraw/zinc/09/63/94/173096394.db2.gz FRHRWBWLZCHFMY-UHFFFAOYSA-N 1 2 234.275 1.228 20 0 BDADLO C[N@@H+]1CC[C@@H](CNc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051043229 173117665 /nfs/dbraw/zinc/11/76/65/173117665.db2.gz PLQSFUKSNBGQEV-VIFPVBQESA-N 1 2 235.287 1.143 20 0 BDADLO C[N@H+]1CC[C@@H](CNc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051043229 173117667 /nfs/dbraw/zinc/11/76/67/173117667.db2.gz PLQSFUKSNBGQEV-VIFPVBQESA-N 1 2 235.287 1.143 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000363312873 173120053 /nfs/dbraw/zinc/12/00/53/173120053.db2.gz CBNJBQJPQBNAOQ-QWHCGFSZSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000363312873 173120057 /nfs/dbraw/zinc/12/00/57/173120057.db2.gz CBNJBQJPQBNAOQ-QWHCGFSZSA-N 1 2 248.301 1.803 20 0 BDADLO CNC(=O)CCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000153313249 173236307 /nfs/dbraw/zinc/23/63/07/173236307.db2.gz AVKHAHHCIDBJPI-UHFFFAOYSA-N 1 2 235.287 1.245 20 0 BDADLO CNC(=O)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000293132043 173277162 /nfs/dbraw/zinc/27/71/62/173277162.db2.gz LHWGHMWKAWSUCC-UHFFFAOYSA-N 1 2 239.344 1.166 20 0 BDADLO CNC(=O)[C@@H]([NH2+]Cc1cscn1)C(C)C ZINC000125026028 173296854 /nfs/dbraw/zinc/29/68/54/173296854.db2.gz XAGNIGDGICQFFA-VIFPVBQESA-N 1 2 227.333 1.003 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC000173616750 173297588 /nfs/dbraw/zinc/29/75/88/173297588.db2.gz FENZAXAMLJJVFL-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC000173616750 173297589 /nfs/dbraw/zinc/29/75/89/173297589.db2.gz FENZAXAMLJJVFL-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000118757446 173309538 /nfs/dbraw/zinc/30/95/38/173309538.db2.gz BSKRYVSUXDGALA-UHFFFAOYSA-N 1 2 215.256 1.540 20 0 BDADLO CC1(C)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000087257615 487627659 /nfs/dbraw/zinc/62/76/59/487627659.db2.gz GDIBAGNTRKJPLN-UHFFFAOYSA-N 1 2 206.289 1.810 20 0 BDADLO COC1(CNc2nc[nH+]c(N)c2Cl)CCC1 ZINC000234783627 174006790 /nfs/dbraw/zinc/00/67/90/174006790.db2.gz IJPMPFZUPXDEHQ-UHFFFAOYSA-N 1 2 242.710 1.693 20 0 BDADLO COC1(CNc2[nH+]cnc(N)c2Cl)CCC1 ZINC000234783627 174006792 /nfs/dbraw/zinc/00/67/92/174006792.db2.gz IJPMPFZUPXDEHQ-UHFFFAOYSA-N 1 2 242.710 1.693 20 0 BDADLO COC1CN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000336695452 174034741 /nfs/dbraw/zinc/03/47/41/174034741.db2.gz JJVQHLDRXCPCCP-UHFFFAOYSA-N 1 2 249.236 1.276 20 0 BDADLO COCC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000231695757 174037174 /nfs/dbraw/zinc/03/71/74/174037174.db2.gz QDOMSLZKHIIMNE-UHFFFAOYSA-N 1 2 232.283 1.869 20 0 BDADLO COCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000071478552 174059794 /nfs/dbraw/zinc/05/97/94/174059794.db2.gz YSTVNVWDJOFHDI-UHFFFAOYSA-N 1 2 219.244 1.228 20 0 BDADLO COCC(C)(C)C[N@H+](CCO)CC(F)F ZINC000355535889 174070328 /nfs/dbraw/zinc/07/03/28/174070328.db2.gz QIACCZPHVGUJSN-UHFFFAOYSA-N 1 2 225.279 1.218 20 0 BDADLO COCC(C)(C)C[N@@H+](CCO)CC(F)F ZINC000355535889 174070330 /nfs/dbraw/zinc/07/03/30/174070330.db2.gz QIACCZPHVGUJSN-UHFFFAOYSA-N 1 2 225.279 1.218 20 0 BDADLO COCC(C)(C)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000310133875 174074262 /nfs/dbraw/zinc/07/42/62/174074262.db2.gz YUKCVSIAJLAUHF-SNVBAGLBSA-N 1 2 245.363 1.979 20 0 BDADLO COCC1(C[N@H+](CCO)CC(F)F)CCC1 ZINC000336644752 174098131 /nfs/dbraw/zinc/09/81/31/174098131.db2.gz AFICOOGJMJSRGS-UHFFFAOYSA-N 1 2 237.290 1.363 20 0 BDADLO COCC1(C[N@@H+](CCO)CC(F)F)CCC1 ZINC000336644752 174098133 /nfs/dbraw/zinc/09/81/33/174098133.db2.gz AFICOOGJMJSRGS-UHFFFAOYSA-N 1 2 237.290 1.363 20 0 BDADLO COCC1(C[NH2+]C(C)(C)C(=O)OC)CCC1 ZINC000336764269 174103104 /nfs/dbraw/zinc/10/31/04/174103104.db2.gz NDVJXPPYHMDIOB-UHFFFAOYSA-N 1 2 229.320 1.344 20 0 BDADLO COCCCCC(=O)NCCCn1cc[nH+]c1 ZINC000123313904 174172623 /nfs/dbraw/zinc/17/26/23/174172623.db2.gz RJRGRAUMXNLAAN-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO COCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000352682775 174180294 /nfs/dbraw/zinc/18/02/94/174180294.db2.gz HERQUQHJFPANNI-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C)s1 ZINC000358505215 174217488 /nfs/dbraw/zinc/21/74/88/174217488.db2.gz HGXXTKYZCXTADE-UHFFFAOYSA-N 1 2 215.322 1.315 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000358505215 174217489 /nfs/dbraw/zinc/21/74/89/174217489.db2.gz HGXXTKYZCXTADE-UHFFFAOYSA-N 1 2 215.322 1.315 20 0 BDADLO COCC[N@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000267068747 174280178 /nfs/dbraw/zinc/28/01/78/174280178.db2.gz VKFYZTKXXDZCBD-SECBINFHSA-N 1 2 244.360 1.929 20 0 BDADLO COCC[N@@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000267068747 174280181 /nfs/dbraw/zinc/28/01/81/174280181.db2.gz VKFYZTKXXDZCBD-SECBINFHSA-N 1 2 244.360 1.929 20 0 BDADLO COCC[N@H+](Cc1cscn1)C1CC1 ZINC000338407347 174300681 /nfs/dbraw/zinc/30/06/81/174300681.db2.gz NZPKQGMOIQSCFN-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO COCC[N@@H+](Cc1cscn1)C1CC1 ZINC000338407347 174300683 /nfs/dbraw/zinc/30/06/83/174300683.db2.gz NZPKQGMOIQSCFN-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO COCCN(Cc1[nH+]ccn1C)CC(F)F ZINC000103485464 174302396 /nfs/dbraw/zinc/30/23/96/174302396.db2.gz WZMRPLLNTIRQIA-UHFFFAOYSA-N 1 2 233.262 1.134 20 0 BDADLO COCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125369403 174311892 /nfs/dbraw/zinc/31/18/92/174311892.db2.gz PJICMXWFQNUXOX-NSHDSACASA-N 1 2 227.329 1.768 20 0 BDADLO COCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125369403 174311894 /nfs/dbraw/zinc/31/18/94/174311894.db2.gz PJICMXWFQNUXOX-NSHDSACASA-N 1 2 227.329 1.768 20 0 BDADLO COCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029402395 174328070 /nfs/dbraw/zinc/32/80/70/174328070.db2.gz KCDWUVIAFQMAQJ-UHFFFAOYSA-N 1 2 245.282 1.249 20 0 BDADLO COCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000364742878 174338458 /nfs/dbraw/zinc/33/84/58/174338458.db2.gz YXXSPLXNSPJTRY-NSHDSACASA-N 1 2 232.287 1.130 20 0 BDADLO COCCOCC[N@H+](C)Cc1nc(C)cs1 ZINC000079437765 174351500 /nfs/dbraw/zinc/35/15/00/174351500.db2.gz VAMPXSHZGZVBFF-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO COCCOCC[N@@H+](C)Cc1nc(C)cs1 ZINC000079437765 174351503 /nfs/dbraw/zinc/35/15/03/174351503.db2.gz VAMPXSHZGZVBFF-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO COCCO[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000275897974 174366964 /nfs/dbraw/zinc/36/69/64/174366964.db2.gz YYGCCLGMYNEDEC-NSHDSACASA-N 1 2 237.303 1.027 20 0 BDADLO COCCO[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000189695815 174366994 /nfs/dbraw/zinc/36/69/94/174366994.db2.gz MKRIOVOGCGFUBF-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO COCCO[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000189695815 174366996 /nfs/dbraw/zinc/36/69/96/174366996.db2.gz MKRIOVOGCGFUBF-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO CO[C@H](C)CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000286413718 174821156 /nfs/dbraw/zinc/82/11/56/174821156.db2.gz OBFVBEPOQXBMGN-SNVBAGLBSA-N 1 2 247.298 1.441 20 0 BDADLO COc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1C ZINC000271162149 175100329 /nfs/dbraw/zinc/10/03/29/175100329.db2.gz DTRWTNLYYNWMQW-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO COc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1C ZINC000271162149 175100332 /nfs/dbraw/zinc/10/03/32/175100332.db2.gz DTRWTNLYYNWMQW-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000132238385 175100734 /nfs/dbraw/zinc/10/07/34/175100734.db2.gz HIYMIHJADYTMNV-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000132238385 175100736 /nfs/dbraw/zinc/10/07/36/175100736.db2.gz HIYMIHJADYTMNV-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)nn1 ZINC000283419074 175100845 /nfs/dbraw/zinc/10/08/45/175100845.db2.gz FSSRGCCZKGTCIV-VXGBXAGGSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)nn1 ZINC000283419074 175100846 /nfs/dbraw/zinc/10/08/46/175100846.db2.gz FSSRGCCZKGTCIV-VXGBXAGGSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000155961002 175101326 /nfs/dbraw/zinc/10/13/26/175101326.db2.gz MSZKMPJFFWKNFN-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000155961002 175101327 /nfs/dbraw/zinc/10/13/27/175101327.db2.gz MSZKMPJFFWKNFN-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(F)c(C[NH2+]Cc2ccn(C)n2)c1 ZINC000339333727 175125549 /nfs/dbraw/zinc/12/55/49/175125549.db2.gz AKSHMDUCYRNDAE-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO COc1ccc([NH2+]CCCS(C)(=O)=O)cc1 ZINC000063014737 175150353 /nfs/dbraw/zinc/15/03/53/175150353.db2.gz FZCXWWBGQBLVFR-UHFFFAOYSA-N 1 2 243.328 1.542 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2nncn2C)c1 ZINC000299580608 175255146 /nfs/dbraw/zinc/25/51/46/175255146.db2.gz IXEPUPFMXOGNJH-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2nncn2C)c1 ZINC000299580608 175255148 /nfs/dbraw/zinc/25/51/48/175255148.db2.gz IXEPUPFMXOGNJH-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000374068220 175261638 /nfs/dbraw/zinc/26/16/38/175261638.db2.gz MMDATPIKZILIJT-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000374068220 175261640 /nfs/dbraw/zinc/26/16/40/175261640.db2.gz MMDATPIKZILIJT-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cccc(C[NH2+]Cc2nccs2)n1 ZINC000222053081 175265299 /nfs/dbraw/zinc/26/52/99/175265299.db2.gz JWNQOVYIWAEVLB-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO COc1ccccc1C[N@H+](C)CC1OCCO1 ZINC000181988825 175325121 /nfs/dbraw/zinc/32/51/21/175325121.db2.gz CYFNINHTFKMEGJ-UHFFFAOYSA-N 1 2 237.299 1.500 20 0 BDADLO COc1ccccc1C[N@@H+](C)CC1OCCO1 ZINC000181988825 175325123 /nfs/dbraw/zinc/32/51/23/175325123.db2.gz CYFNINHTFKMEGJ-UHFFFAOYSA-N 1 2 237.299 1.500 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC000293039450 175346517 /nfs/dbraw/zinc/34/65/17/175346517.db2.gz DXAARMZUXZTODG-SECBINFHSA-N 1 2 246.314 1.973 20 0 BDADLO COc1ccnc(NCCc2cc[nH+]cc2C)n1 ZINC000270023633 175364312 /nfs/dbraw/zinc/36/43/12/175364312.db2.gz WZVRNIWZNZLKQB-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1ccnc(NCc2ccc(N)[nH+]c2)n1 ZINC000302780380 175366426 /nfs/dbraw/zinc/36/64/26/175366426.db2.gz RHWWKZJTHIBQQZ-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO COc1ccncc1C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000287653113 175370459 /nfs/dbraw/zinc/37/04/59/175370459.db2.gz GTNLIZLBXORIKE-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@H]1CC1(C)C ZINC000293046997 175372428 /nfs/dbraw/zinc/37/24/28/175372428.db2.gz RTUIUOABFSIJMA-NSHDSACASA-N 1 2 249.314 1.688 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000293278733 175372516 /nfs/dbraw/zinc/37/25/16/175372516.db2.gz GWXSQYDWJQGBRR-VXGBXAGGSA-N 1 2 248.326 1.999 20 0 BDADLO COc1cc[nH+]cc1COCc1ncc[nH]1 ZINC000288713559 175373515 /nfs/dbraw/zinc/37/35/15/175373515.db2.gz VJTFOGFXAFWIJK-UHFFFAOYSA-N 1 2 219.244 1.530 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cc(C)on1 ZINC000074540575 175374791 /nfs/dbraw/zinc/37/47/91/175374791.db2.gz NLRMSQXLJOTGIK-UHFFFAOYSA-N 1 2 247.254 1.568 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1C(F)F ZINC000337941514 175374936 /nfs/dbraw/zinc/37/49/36/175374936.db2.gz QZWQJTFOUGRAJQ-RNFRBKRXSA-N 1 2 242.225 1.930 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000376169168 175375292 /nfs/dbraw/zinc/37/52/92/175375292.db2.gz ZSXTWSYXOMXVJW-AXTRIDKLSA-N 1 2 248.282 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](OC)C1CC1 ZINC000279421409 175375579 /nfs/dbraw/zinc/37/55/79/175375579.db2.gz CRPXYQPLCIVLQZ-NSHDSACASA-N 1 2 236.271 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1CC=CC1 ZINC000077740294 175375635 /nfs/dbraw/zinc/37/56/35/175375635.db2.gz YIBBWCXMTPSBCO-UHFFFAOYSA-N 1 2 218.256 1.995 20 0 BDADLO COc1ccsc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338996534 175378974 /nfs/dbraw/zinc/37/89/74/175378974.db2.gz LHZVEUIPKFIBMT-NSHDSACASA-N 1 2 245.319 1.663 20 0 BDADLO COc1ccsc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338996534 175378975 /nfs/dbraw/zinc/37/89/75/175378975.db2.gz LHZVEUIPKFIBMT-NSHDSACASA-N 1 2 245.319 1.663 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000289351480 175385498 /nfs/dbraw/zinc/38/54/98/175385498.db2.gz YCCZCENYHQFCOD-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000289351480 175385499 /nfs/dbraw/zinc/38/54/99/175385499.db2.gz YCCZCENYHQFCOD-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO C[C@@H](CO)CSCCn1cc[nH+]c1 ZINC000085138540 175745180 /nfs/dbraw/zinc/74/51/80/175745180.db2.gz IDRFWSQNPVQUFF-VIFPVBQESA-N 1 2 200.307 1.245 20 0 BDADLO C[C@@H](O)C[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000341645711 175765367 /nfs/dbraw/zinc/76/53/67/175765367.db2.gz XLDSAMTVCKROQE-VHSXEESVSA-N 1 2 247.298 1.224 20 0 BDADLO C[C@@H](O)[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000162690787 175996134 /nfs/dbraw/zinc/99/61/34/175996134.db2.gz RRDAOMWLZOGXQX-GHMZBOCLSA-N 1 2 245.326 1.780 20 0 BDADLO C[C@@H](c1c(F)cccc1F)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278802630 176012949 /nfs/dbraw/zinc/01/29/49/176012949.db2.gz OSNMHTIKTGIXAA-BKDNQFJXSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278802630 176012950 /nfs/dbraw/zinc/01/29/50/176012950.db2.gz OSNMHTIKTGIXAA-BKDNQFJXSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](C)C1 ZINC000299187739 176028304 /nfs/dbraw/zinc/02/83/04/176028304.db2.gz CMNGOVSSHLPQQU-MNOVXSKESA-N 1 2 206.289 1.863 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](C)C1 ZINC000299187739 176028306 /nfs/dbraw/zinc/02/83/06/176028306.db2.gz CMNGOVSSHLPQQU-MNOVXSKESA-N 1 2 206.289 1.863 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC1 ZINC000271554372 176028865 /nfs/dbraw/zinc/02/88/65/176028865.db2.gz OSRDJGROHABKGU-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC1 ZINC000271554372 176028866 /nfs/dbraw/zinc/02/88/66/176028866.db2.gz OSRDJGROHABKGU-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc[nH]n1 ZINC000114461160 176036086 /nfs/dbraw/zinc/03/60/86/176036086.db2.gz XTLCQFBJWAJTTN-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000114461160 176036087 /nfs/dbraw/zinc/03/60/87/176036087.db2.gz XTLCQFBJWAJTTN-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573371 176037250 /nfs/dbraw/zinc/03/72/50/176037250.db2.gz RTGBTACYXJPHPJ-GXFFZTMASA-N 1 2 233.315 1.648 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573371 176037251 /nfs/dbraw/zinc/03/72/51/176037251.db2.gz RTGBTACYXJPHPJ-GXFFZTMASA-N 1 2 233.315 1.648 20 0 BDADLO C[C@@H](c1nc(Cc2c[nH+]cn2C)no1)C1CC1 ZINC000329743437 176038468 /nfs/dbraw/zinc/03/84/68/176038468.db2.gz XEOBSHBCMSYGGY-MRVPVSSYSA-N 1 2 232.287 1.907 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)C1CC(O)C1 ZINC000329522437 176038609 /nfs/dbraw/zinc/03/86/09/176038609.db2.gz PKXATFRBOOIZBQ-WFRXLMHJSA-N 1 2 237.303 1.463 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)C1CC(O)C1 ZINC000329522437 176038611 /nfs/dbraw/zinc/03/86/11/176038611.db2.gz PKXATFRBOOIZBQ-WFRXLMHJSA-N 1 2 237.303 1.463 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1[nH+]ccn1C ZINC000280478180 176043645 /nfs/dbraw/zinc/04/36/45/176043645.db2.gz IYAYFIGKHFAZFR-UWVGGRQHSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1coc2ccccc12 ZINC000123421419 176047032 /nfs/dbraw/zinc/04/70/32/176047032.db2.gz IXPMLFACVNSANZ-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1coc2ccccc12 ZINC000123421419 176047034 /nfs/dbraw/zinc/04/70/34/176047034.db2.gz IXPMLFACVNSANZ-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000076830006 176085685 /nfs/dbraw/zinc/08/56/85/176085685.db2.gz KQFIUDCMISPVNG-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000264249620 176148941 /nfs/dbraw/zinc/14/89/41/176148941.db2.gz BFHZSHSTZIXTJL-NXEZZACHSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000336243956 176152098 /nfs/dbraw/zinc/15/20/98/176152098.db2.gz YQYUQBBCRCCCTR-SKDRFNHKSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1CC[C@@H](C)C1 ZINC000289998337 176180030 /nfs/dbraw/zinc/18/00/30/176180030.db2.gz KZCIJHZNARCZHC-RNFRBKRXSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1CC[C@@H](C)C1 ZINC000289998337 176180031 /nfs/dbraw/zinc/18/00/31/176180031.db2.gz KZCIJHZNARCZHC-RNFRBKRXSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)[C@@H]1C ZINC000302905807 176182543 /nfs/dbraw/zinc/18/25/43/176182543.db2.gz SURJQOKYZFOFQC-RNFRBKRXSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)[C@@H]1C ZINC000302905807 176182545 /nfs/dbraw/zinc/18/25/45/176182545.db2.gz SURJQOKYZFOFQC-RNFRBKRXSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000362239497 176188690 /nfs/dbraw/zinc/18/86/90/176188690.db2.gz SODOJCPXLCPSIY-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1CC(=O)OC(C)(C)C ZINC000362239497 176188691 /nfs/dbraw/zinc/18/86/91/176188691.db2.gz SODOJCPXLCPSIY-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1CC[C@@H](CCC(=O)NCc2c[nH+]c[nH]2)O1 ZINC000332350943 176202432 /nfs/dbraw/zinc/20/24/32/176202432.db2.gz VKVBFYJFNAYKRJ-KOLCDFICSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@@H]1CC[C@@H](CCC(=O)NCc2c[nH]c[nH+]2)O1 ZINC000332350943 176202434 /nfs/dbraw/zinc/20/24/34/176202434.db2.gz VKVBFYJFNAYKRJ-KOLCDFICSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCCNc2cccc[nH+]2)O1 ZINC000331089253 176220536 /nfs/dbraw/zinc/22/05/36/176220536.db2.gz TUYREAKBEXNSHD-GHMZBOCLSA-N 1 2 249.314 1.177 20 0 BDADLO C[C@@H]1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC000337938686 176229057 /nfs/dbraw/zinc/22/90/57/176229057.db2.gz UNFQXFGDHARCFI-ZJUUUORDSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)c2cccn2C)CCS1 ZINC000122518196 176285392 /nfs/dbraw/zinc/28/53/92/176285392.db2.gz JCUUJSPAMCDAKI-SNVBAGLBSA-N 1 2 238.356 1.645 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)c2cccn2C)CCS1 ZINC000122518196 176285394 /nfs/dbraw/zinc/28/53/94/176285394.db2.gz JCUUJSPAMCDAKI-SNVBAGLBSA-N 1 2 238.356 1.645 20 0 BDADLO C[C@@H]1C[N@H+](CCN2Cc3ccccc3C2)CCO1 ZINC000189929334 176291429 /nfs/dbraw/zinc/29/14/29/176291429.db2.gz UOPBUJWGZQSSSW-CYBMUJFWSA-N 1 2 246.354 1.723 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2Cc3ccccc3C2)CCO1 ZINC000189929334 176291430 /nfs/dbraw/zinc/29/14/30/176291430.db2.gz UOPBUJWGZQSSSW-CYBMUJFWSA-N 1 2 246.354 1.723 20 0 BDADLO C[C@@H]1C[N@H+](CCO)C[C@H](c2ccsc2)O1 ZINC000120612962 176293079 /nfs/dbraw/zinc/29/30/79/176293079.db2.gz IGQTWMWZXJQGGJ-MWLCHTKSSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@@H]1C[N@@H+](CCO)C[C@H](c2ccsc2)O1 ZINC000120612962 176293082 /nfs/dbraw/zinc/29/30/82/176293082.db2.gz IGQTWMWZXJQGGJ-MWLCHTKSSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)ncc2F)CCCO1 ZINC000294962114 176300863 /nfs/dbraw/zinc/30/08/63/176300863.db2.gz WGJXNQAEECPBGV-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)ncc2F)CCCO1 ZINC000294962114 176300865 /nfs/dbraw/zinc/30/08/65/176300865.db2.gz WGJXNQAEECPBGV-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccsc2)CC(=O)N1C ZINC000282741685 176309320 /nfs/dbraw/zinc/30/93/20/176309320.db2.gz NHNNTHXTKOOPFF-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccsc2)CC(=O)N1C ZINC000282741685 176309321 /nfs/dbraw/zinc/30/93/21/176309321.db2.gz NHNNTHXTKOOPFF-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C2CC2)O1 ZINC000279415317 176311575 /nfs/dbraw/zinc/31/15/75/176311575.db2.gz WJVVKRVYFSJNAX-KOLCDFICSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000109834218 176312555 /nfs/dbraw/zinc/31/25/55/176312555.db2.gz JAWADDGGPQFKKL-SECBINFHSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293325977 176316468 /nfs/dbraw/zinc/31/64/68/176316468.db2.gz GEWWTGFVUZHZAA-OPRDCNLKSA-N 1 2 234.303 1.144 20 0 BDADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000293325977 176316469 /nfs/dbraw/zinc/31/64/69/176316469.db2.gz GEWWTGFVUZHZAA-OPRDCNLKSA-N 1 2 234.303 1.144 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000336293113 176316721 /nfs/dbraw/zinc/31/67/21/176316721.db2.gz IGVWECJDZYHDLO-NXEZZACHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000336293113 176316722 /nfs/dbraw/zinc/31/67/22/176316722.db2.gz IGVWECJDZYHDLO-NXEZZACHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@H]1C ZINC000278412045 176320953 /nfs/dbraw/zinc/32/09/53/176320953.db2.gz NXVNIWIXSYFHMX-OCAPTIKFSA-N 1 2 246.318 1.038 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)NCC2(C)CC2)c2[nH+]ccn21 ZINC000333148975 176374301 /nfs/dbraw/zinc/37/43/01/176374301.db2.gz HPDHGTYNSPDFCS-NXEZZACHSA-N 1 2 248.330 1.988 20 0 BDADLO C[C@H](CF)[NH2+]Cc1ccn(C(F)F)n1 ZINC000336693148 176648673 /nfs/dbraw/zinc/64/86/73/176648673.db2.gz QYNNKZOXSDLWTQ-ZCFIWIBFSA-N 1 2 207.199 1.726 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000047265017 177044668 /nfs/dbraw/zinc/04/46/68/177044668.db2.gz MSMHGVRMVCQSLQ-LLVKDONJSA-N 1 2 249.358 1.989 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000047265017 177044669 /nfs/dbraw/zinc/04/46/69/177044669.db2.gz MSMHGVRMVCQSLQ-LLVKDONJSA-N 1 2 249.358 1.989 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342193766 177052657 /nfs/dbraw/zinc/05/26/57/177052657.db2.gz CBNHGOWBFOGYIU-MXWKQRLJSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342193766 177052658 /nfs/dbraw/zinc/05/26/58/177052658.db2.gz CBNHGOWBFOGYIU-MXWKQRLJSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000034224464 177060682 /nfs/dbraw/zinc/06/06/82/177060682.db2.gz JAAQKQBXFIMGGA-JTQLQIEISA-N 1 2 204.273 1.007 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000034224464 177060683 /nfs/dbraw/zinc/06/06/83/177060683.db2.gz JAAQKQBXFIMGGA-JTQLQIEISA-N 1 2 204.273 1.007 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCCn2cc[nH+]c2)C1 ZINC000267828916 177067021 /nfs/dbraw/zinc/06/70/21/177067021.db2.gz CGYUUKIZHLFBNV-UTEVDWOZSA-N 1 2 233.315 1.746 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279114234 177092354 /nfs/dbraw/zinc/09/23/54/177092354.db2.gz CJVHOGCYFBMNEI-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000363212732 177093438 /nfs/dbraw/zinc/09/34/38/177093438.db2.gz XSKIYQXXFSQRMW-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119115181 177107838 /nfs/dbraw/zinc/10/78/38/177107838.db2.gz NLRMUZCNBILPMT-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280520490 177140333 /nfs/dbraw/zinc/14/03/33/177140333.db2.gz MOXWSNOOTTYJOE-GXSJLCMTSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280520490 177140339 /nfs/dbraw/zinc/14/03/39/177140339.db2.gz MOXWSNOOTTYJOE-GXSJLCMTSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCN(C(=O)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000123383397 177145930 /nfs/dbraw/zinc/14/59/30/177145930.db2.gz KTBCPDCDBWAAIR-CMPLNLGQSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000265824143 177146678 /nfs/dbraw/zinc/14/66/78/177146678.db2.gz XQIKMTZGBYIGNA-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1C[C@@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000265824142 177147023 /nfs/dbraw/zinc/14/70/23/177147023.db2.gz XQIKMTZGBYIGNA-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H]1CC[N@H+](Cc2csc(Cl)n2)[C@H]1CO ZINC000295961702 177166587 /nfs/dbraw/zinc/16/65/87/177166587.db2.gz JOHAFYOTICOKKH-CBAPKCEASA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@H]1CO ZINC000295961702 177166588 /nfs/dbraw/zinc/16/65/88/177166588.db2.gz JOHAFYOTICOKKH-CBAPKCEASA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CC12CCC2 ZINC000329267427 177168242 /nfs/dbraw/zinc/16/82/42/177168242.db2.gz GIXGEWDIJBRRIM-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC12CCC2 ZINC000329267427 177168243 /nfs/dbraw/zinc/16/82/43/177168243.db2.gz GIXGEWDIJBRRIM-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278395279 177172353 /nfs/dbraw/zinc/17/23/53/177172353.db2.gz MMPDNBMEGMVSPI-JGVFFNPUSA-N 1 2 246.318 1.180 20 0 BDADLO C[C@H]1CCN(c2nncs2)C[C@@H]1n1cc[nH+]c1 ZINC000297352211 177173209 /nfs/dbraw/zinc/17/32/09/177173209.db2.gz BNHMUKOJODUQMG-UWVGGRQHSA-N 1 2 249.343 1.822 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000330973892 177188271 /nfs/dbraw/zinc/18/82/71/177188271.db2.gz UTVDSBMWYDQIQL-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000330973892 177188272 /nfs/dbraw/zinc/18/82/72/177188272.db2.gz UTVDSBMWYDQIQL-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000237556639 177188495 /nfs/dbraw/zinc/18/84/95/177188495.db2.gz IBXCRIGKWOXPDO-ONGXEEELSA-N 1 2 249.314 1.950 20 0 BDADLO C[C@H]1CC[C@]2(CC[N@H+](Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000359552757 177207911 /nfs/dbraw/zinc/20/79/11/177207911.db2.gz GTZYTBKAZJZUMT-CABZTGNLSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1CN(C(=O)c2cncs2)C[C@H](C)[N@H+]1C ZINC000293879948 177230524 /nfs/dbraw/zinc/23/05/24/177230524.db2.gz CPCMTXZHYZOYPI-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CN(C(=O)c2cncs2)C[C@H](C)[N@@H+]1C ZINC000293879948 177230525 /nfs/dbraw/zinc/23/05/25/177230525.db2.gz CPCMTXZHYZOYPI-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cocn1 ZINC000271945406 177241651 /nfs/dbraw/zinc/24/16/51/177241651.db2.gz ARSVDZINSQAXMT-JOYOIKCWSA-N 1 2 221.304 1.247 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)c1cccn1C ZINC000293510839 177245734 /nfs/dbraw/zinc/24/57/34/177245734.db2.gz VCSGDUNIXLFLFQ-VHSXEESVSA-N 1 2 206.289 1.548 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)c1cccn1C ZINC000293510839 177245736 /nfs/dbraw/zinc/24/57/36/177245736.db2.gz VCSGDUNIXLFLFQ-VHSXEESVSA-N 1 2 206.289 1.548 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccccc2F)CC(=O)N1 ZINC000295043967 177254629 /nfs/dbraw/zinc/25/46/29/177254629.db2.gz OYHQYFANWQHQQQ-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccccc2F)CC(=O)N1 ZINC000295043967 177254630 /nfs/dbraw/zinc/25/46/30/177254630.db2.gz OYHQYFANWQHQQQ-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000308848464 177258114 /nfs/dbraw/zinc/25/81/14/177258114.db2.gz QHVDYEUBTVXGEG-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000308848464 177258115 /nfs/dbraw/zinc/25/81/15/177258115.db2.gz QHVDYEUBTVXGEG-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3c2OCO3)CCO1 ZINC000179861711 177264822 /nfs/dbraw/zinc/26/48/22/177264822.db2.gz NNZKECNENPTPNR-JTQLQIEISA-N 1 2 235.283 1.636 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)CCO1 ZINC000179861711 177264825 /nfs/dbraw/zinc/26/48/25/177264825.db2.gz NNZKECNENPTPNR-JTQLQIEISA-N 1 2 235.283 1.636 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccn2)CC[S@@](=O)C1 ZINC000277552042 177266816 /nfs/dbraw/zinc/26/68/16/177266816.db2.gz RCMHGYQPEHKOGI-MEDUHNTESA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[S@@](=O)C1 ZINC000277552042 177266818 /nfs/dbraw/zinc/26/68/18/177266818.db2.gz RCMHGYQPEHKOGI-MEDUHNTESA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)CCC1(F)F ZINC000289765743 177267935 /nfs/dbraw/zinc/26/79/35/177267935.db2.gz LACUKZJGQQJMFK-VIFPVBQESA-N 1 2 229.274 1.897 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)CCC1(F)F ZINC000289765743 177267936 /nfs/dbraw/zinc/26/79/36/177267936.db2.gz LACUKZJGQQJMFK-VIFPVBQESA-N 1 2 229.274 1.897 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C(F)F)CCCO1 ZINC000170766629 177271479 /nfs/dbraw/zinc/27/14/79/177271479.db2.gz BJXLMGHQDJPGCI-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C(F)F)CCCO1 ZINC000170766629 177271480 /nfs/dbraw/zinc/27/14/80/177271480.db2.gz BJXLMGHQDJPGCI-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C2CC2)O1 ZINC000279415314 177272297 /nfs/dbraw/zinc/27/22/97/177272297.db2.gz WJVVKRVYFSJNAX-GXSJLCMTSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@H]1COCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000338256514 177289173 /nfs/dbraw/zinc/28/91/73/177289173.db2.gz SNVRXURTLVHXFL-SNVBAGLBSA-N 1 2 233.315 1.827 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1ccn(C)n1 ZINC000271194377 177305308 /nfs/dbraw/zinc/30/53/08/177305308.db2.gz QYHCKWADLZIIJW-VIFPVBQESA-N 1 2 211.334 1.357 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1ccn(C)n1 ZINC000271194377 177305310 /nfs/dbraw/zinc/30/53/10/177305310.db2.gz QYHCKWADLZIIJW-VIFPVBQESA-N 1 2 211.334 1.357 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000479103466 225177178 /nfs/dbraw/zinc/17/71/78/225177178.db2.gz IUMRTVFQIYSHKJ-JTQLQIEISA-N 1 2 237.303 1.311 20 0 BDADLO Cc1cc(NC[C@H](CO)c2ccccc2)nc[nH+]1 ZINC000487657855 225320408 /nfs/dbraw/zinc/32/04/08/225320408.db2.gz SQTWWIZXFQRBNK-CYBMUJFWSA-N 1 2 243.310 1.395 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668321339 487646728 /nfs/dbraw/zinc/64/67/28/487646728.db2.gz RAMUBSBURNWAMZ-QCNOEVLYSA-N 1 2 247.342 1.828 20 0 BDADLO Cc1cccnc1/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000492629609 226030677 /nfs/dbraw/zinc/03/06/77/226030677.db2.gz ZQESMXDBQWBWPA-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)n(C)n1 ZINC000492772132 226050612 /nfs/dbraw/zinc/05/06/12/226050612.db2.gz HWSGSVIAYNKDHC-ARJAWSKDSA-N 1 2 231.259 1.104 20 0 BDADLO COCC1=CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492812162 226058215 /nfs/dbraw/zinc/05/82/15/226058215.db2.gz MEGRIZXZNVLQSE-IHWYPQMZSA-N 1 2 247.298 1.228 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(O)c1F ZINC000492861073 226068359 /nfs/dbraw/zinc/06/83/59/226068359.db2.gz JAGZQNNNCUAZHY-SNAWJCMRSA-N 1 2 247.229 1.906 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccccc1 ZINC000492856863 226068715 /nfs/dbraw/zinc/06/87/15/226068715.db2.gz CMAZREZKNSGKIE-SREVYHEPSA-N 1 2 241.294 1.782 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492868653 226072677 /nfs/dbraw/zinc/07/26/77/226072677.db2.gz TXIZVFBOXRAFCE-FNSKHJIESA-N 1 2 249.314 1.354 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000492891416 226076436 /nfs/dbraw/zinc/07/64/36/226076436.db2.gz CWVLORHAZNRVPJ-KZUAUGPASA-N 1 2 231.259 1.023 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOC[C@@H]1C1CC1 ZINC000492897561 226077746 /nfs/dbraw/zinc/07/77/46/226077746.db2.gz KAWLSJYUALADCY-VSQXVHSFSA-N 1 2 247.298 1.060 20 0 BDADLO COCCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904672 226081391 /nfs/dbraw/zinc/08/13/91/226081391.db2.gz XNTGLGWXCXELAK-WAYWQWQTSA-N 1 2 237.303 1.356 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC12CCCC2 ZINC000492965820 226093841 /nfs/dbraw/zinc/09/38/41/226093841.db2.gz WVJMCSFIRAOCOD-UFFNRZRYSA-N 1 2 231.299 1.872 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493023511 226106113 /nfs/dbraw/zinc/10/61/13/226106113.db2.gz PEOVRZYJOQQSKO-XIJCSBCJSA-N 1 2 235.287 1.107 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1cncs1 ZINC000493335914 226189453 /nfs/dbraw/zinc/18/94/53/226189453.db2.gz OFBGQUKDKDRBJS-NSCUHMNNSA-N 1 2 248.311 1.206 20 0 BDADLO C[C@@H]1CN=C(NC(=O)C=Cc2c[nH]c[nH+]2)S1 ZINC000493093841 226124587 /nfs/dbraw/zinc/12/45/87/226124587.db2.gz KHUNPPWAZPJEPO-SKRYNEFJSA-N 1 2 236.300 1.030 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493168494 226144424 /nfs/dbraw/zinc/14/44/24/226144424.db2.gz SDXJKJKORRDROK-VROIDLATSA-N 1 2 233.193 1.490 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC12CC2 ZINC000493231906 226161954 /nfs/dbraw/zinc/16/19/54/226161954.db2.gz ASGKCYLATSKOLN-FHKCNRDCSA-N 1 2 203.245 1.092 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC12CC2 ZINC000493231905 226162147 /nfs/dbraw/zinc/16/21/47/226162147.db2.gz ASGKCYLATSKOLN-CMLYIYFCSA-N 1 2 203.245 1.092 20 0 BDADLO COC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000493345905 226191843 /nfs/dbraw/zinc/19/18/43/226191843.db2.gz AIUKAGXQKJQKEB-DOGVGXBMSA-N 1 2 237.303 1.210 20 0 BDADLO C[C@H](C[C@H]1CCCO1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493366290 226197059 /nfs/dbraw/zinc/19/70/59/226197059.db2.gz HZBNHSGDRIXKIX-XKFHPXPTSA-N 1 2 249.314 1.497 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCF ZINC000493398300 226204961 /nfs/dbraw/zinc/20/49/61/226204961.db2.gz HTAAADLSFFQVQY-ONEGZZNKSA-N 1 2 211.240 1.289 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493563861 226243631 /nfs/dbraw/zinc/24/36/31/226243631.db2.gz WFTOBCMWVAJZKW-GMCFVEKCSA-N 1 2 235.287 1.107 20 0 BDADLO CCn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493583191 226244342 /nfs/dbraw/zinc/24/43/42/226244342.db2.gz GDUKDZUJYMICKR-ONEGZZNKSA-N 1 2 231.259 1.278 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000493680511 226248840 /nfs/dbraw/zinc/24/88/40/226248840.db2.gz BHSDMTUUXIUIPM-YEZKRMTDSA-N 1 2 235.287 1.060 20 0 BDADLO COC[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493699837 226250157 /nfs/dbraw/zinc/25/01/57/226250157.db2.gz ZBQZBUIDOGLEBT-DOGVGXBMSA-N 1 2 249.314 1.308 20 0 BDADLO CO[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1(C)C ZINC000493757810 226252699 /nfs/dbraw/zinc/25/26/99/226252699.db2.gz PBOSCKYXDHIWFT-WQMVXFAESA-N 1 2 249.314 1.353 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccco1 ZINC000493837925 226256528 /nfs/dbraw/zinc/25/65/28/226256528.db2.gz QBCVFXWSDBUXPX-ONEGZZNKSA-N 1 2 217.228 1.332 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C/C1CCCC1 ZINC000493846063 226256916 /nfs/dbraw/zinc/25/69/16/226256916.db2.gz CEWFOVLQTRMHNX-VOTSOKGWSA-N 1 2 247.342 1.825 20 0 BDADLO COC[C@@]1(C)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493866619 226258237 /nfs/dbraw/zinc/25/82/37/226258237.db2.gz BJLWYYYSHLQCDR-OOPCZODUSA-N 1 2 249.314 1.308 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C/C=C/c1ccncc1 ZINC000494982618 226273799 /nfs/dbraw/zinc/27/37/99/226273799.db2.gz WVEWGKIQMBRTBK-VJTBZZIASA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1C/C=C/c1ccncc1 ZINC000494982618 226273800 /nfs/dbraw/zinc/27/38/00/226273800.db2.gz WVEWGKIQMBRTBK-VJTBZZIASA-N 1 2 248.326 1.176 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCCF ZINC000309117909 487649491 /nfs/dbraw/zinc/64/94/91/487649491.db2.gz MKMZDHDJKBBWEI-UHFFFAOYSA-N 1 2 214.244 1.229 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCCF ZINC000309117909 487649499 /nfs/dbraw/zinc/64/94/99/487649499.db2.gz MKMZDHDJKBBWEI-UHFFFAOYSA-N 1 2 214.244 1.229 20 0 BDADLO Cc1cc(N2CC[C@H](C(F)F)C2)nc[nH+]1 ZINC000672275329 487651830 /nfs/dbraw/zinc/65/18/30/487651830.db2.gz ONXGDXRENOKBNN-QMMMGPOBSA-N 1 2 213.231 1.876 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1F ZINC000680864082 487659982 /nfs/dbraw/zinc/65/99/82/487659982.db2.gz DPDAIEFTHJCMPJ-GJMOJQLCSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1F ZINC000680864082 487659987 /nfs/dbraw/zinc/65/99/87/487659987.db2.gz DPDAIEFTHJCMPJ-GJMOJQLCSA-N 1 2 229.217 1.590 20 0 BDADLO c1cc(N2CCC[C@@H]3COC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000665739470 487668085 /nfs/dbraw/zinc/66/80/85/487668085.db2.gz QNIFFAFFWFRZSL-NEPJUHHUSA-N 1 2 245.326 1.969 20 0 BDADLO Cc1nc(C)c(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000173600174 229355492 /nfs/dbraw/zinc/35/54/92/229355492.db2.gz NAGJCYAAGGDSTE-UHFFFAOYSA-N 1 2 248.286 1.308 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1occ2c1CCC2 ZINC000671655258 487674097 /nfs/dbraw/zinc/67/40/97/487674097.db2.gz NCAQBWOUZMWAHN-UHFFFAOYSA-N 1 2 245.282 1.395 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000669700738 487696815 /nfs/dbraw/zinc/69/68/15/487696815.db2.gz BBANSZFBESQNLM-QWRGUYRKSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000669700738 487696821 /nfs/dbraw/zinc/69/68/21/487696821.db2.gz BBANSZFBESQNLM-QWRGUYRKSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H]1N(Cc2c[nH+]c3n2CCC3)CCOC1(C)C ZINC000667651131 487697657 /nfs/dbraw/zinc/69/76/57/487697657.db2.gz NFAPQSFNZLOVPK-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)s1)C1(CO)CC1 ZINC000528503080 262953799 /nfs/dbraw/zinc/95/37/99/262953799.db2.gz KIJRXTSGPYUTSL-UHFFFAOYSA-N 1 2 239.344 1.372 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671710227 487701965 /nfs/dbraw/zinc/70/19/65/487701965.db2.gz YXICZUJQYDYHPI-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671710227 487701968 /nfs/dbraw/zinc/70/19/68/487701968.db2.gz YXICZUJQYDYHPI-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](CO)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671709444 487702562 /nfs/dbraw/zinc/70/25/62/487702562.db2.gz DZRCKZCBQNVXIB-XHNCKOQMSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671709444 487702566 /nfs/dbraw/zinc/70/25/66/487702566.db2.gz DZRCKZCBQNVXIB-XHNCKOQMSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCO ZINC000671708940 487702615 /nfs/dbraw/zinc/70/26/15/487702615.db2.gz JYYLWNJBUBAZRN-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCO ZINC000671708940 487702619 /nfs/dbraw/zinc/70/26/19/487702619.db2.gz JYYLWNJBUBAZRN-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc2occc2c1 ZINC000671716377 487703906 /nfs/dbraw/zinc/70/39/06/487703906.db2.gz FBHGWCBMJZIRKB-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO C[C@H](C(=O)NC1=[NH+]CCS1)C1CCC1 ZINC000901153777 584391374 /nfs/dbraw/zinc/39/13/74/584391374.db2.gz GQYLECDJVVCCIQ-ZETCQYMHSA-N 1 2 212.318 1.642 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]CC(F)(F)CO)c(C)n1 ZINC000681057802 487709312 /nfs/dbraw/zinc/70/93/12/487709312.db2.gz XCTVMOKKOSRGGC-VIFPVBQESA-N 1 2 244.285 1.977 20 0 BDADLO C[N@H+](Cc1noc2c1CCCC2)C1(CO)CC1 ZINC000671727472 487709630 /nfs/dbraw/zinc/70/96/30/487709630.db2.gz AFPLZLBSYWOEDX-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO C[N@@H+](Cc1noc2c1CCCC2)C1(CO)CC1 ZINC000671727472 487709632 /nfs/dbraw/zinc/70/96/32/487709632.db2.gz AFPLZLBSYWOEDX-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO CCc1nc(C(=O)NCc2c[nH+]c[nH]2)c(C)o1 ZINC000671733254 487713403 /nfs/dbraw/zinc/71/34/03/487713403.db2.gz YSUCGYAQUPFWQA-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1nc(C(=O)NCc2c[nH]c[nH+]2)c(C)o1 ZINC000671733254 487713406 /nfs/dbraw/zinc/71/34/06/487713406.db2.gz YSUCGYAQUPFWQA-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1cc(NC[C@H]2CCCC(=O)N2)nc[nH+]1 ZINC000683938870 487719262 /nfs/dbraw/zinc/71/92/62/487719262.db2.gz UDRYEVPGRADCHN-SNVBAGLBSA-N 1 2 234.303 1.120 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]cc1C)C1CCC1 ZINC000668419435 487720451 /nfs/dbraw/zinc/72/04/51/487720451.db2.gz CPJJZQNRQYORNM-LBPRGKRZSA-N 1 2 234.299 1.566 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)[C@H]1CCCO1 ZINC000668419845 487722253 /nfs/dbraw/zinc/72/22/53/487722253.db2.gz NQQKOKQWCYCNRZ-GXFFZTMASA-N 1 2 248.326 1.956 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)C[C@@H]2CCOC2)c[nH+]1 ZINC000675416371 487725105 /nfs/dbraw/zinc/72/51/05/487725105.db2.gz RXKXGUDPNKDBJA-WPRPVWTQSA-N 1 2 237.303 1.263 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000681120542 487732716 /nfs/dbraw/zinc/73/27/16/487732716.db2.gz AIXGFEJNPOELGL-YIZRAAEISA-N 1 2 219.288 1.039 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000681120542 487732717 /nfs/dbraw/zinc/73/27/17/487732717.db2.gz AIXGFEJNPOELGL-YIZRAAEISA-N 1 2 219.288 1.039 20 0 BDADLO CC1=C(C)CN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665716311 487734511 /nfs/dbraw/zinc/73/45/11/487734511.db2.gz TYIPCNVQZXKBEO-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO CC1=C(C)CN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665716311 487734517 /nfs/dbraw/zinc/73/45/17/487734517.db2.gz TYIPCNVQZXKBEO-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO COCC[C@@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412070089 487735067 /nfs/dbraw/zinc/73/50/67/487735067.db2.gz ICASWSBQQBCWSX-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO COCC[C@@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412070089 487735074 /nfs/dbraw/zinc/73/50/74/487735074.db2.gz ICASWSBQQBCWSX-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO O[C@@H]1CC[C@@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000665714157 487738084 /nfs/dbraw/zinc/73/80/84/487738084.db2.gz ARTJKVBTXZGAKM-MWLCHTKSSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@@H]1CC[C@@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000665714157 487738090 /nfs/dbraw/zinc/73/80/90/487738090.db2.gz ARTJKVBTXZGAKM-MWLCHTKSSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H]1CC[C@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000665714158 487738161 /nfs/dbraw/zinc/73/81/61/487738161.db2.gz ARTJKVBTXZGAKM-ONGXEEELSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H]1CC[C@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000665714158 487738167 /nfs/dbraw/zinc/73/81/67/487738167.db2.gz ARTJKVBTXZGAKM-ONGXEEELSA-N 1 2 248.330 1.624 20 0 BDADLO c1nc(N2C[C@@H]3COC[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000665716852 487739270 /nfs/dbraw/zinc/73/92/70/487739270.db2.gz LJJKVBQCDVWNSD-AOOOYVTPSA-N 1 2 246.314 1.134 20 0 BDADLO c1nc(NC2CC2)cc(N2C[C@@H]3COC[C@@H]3C2)[nH+]1 ZINC000665716852 487739276 /nfs/dbraw/zinc/73/92/76/487739276.db2.gz LJJKVBQCDVWNSD-AOOOYVTPSA-N 1 2 246.314 1.134 20 0 BDADLO Cc1c[nH]nc1C(=O)NCCCCn1cc[nH+]c1 ZINC000669604606 487755446 /nfs/dbraw/zinc/75/54/46/487755446.db2.gz ZVHWLVSSUVKHEF-UHFFFAOYSA-N 1 2 247.302 1.125 20 0 BDADLO COc1cc(N2CCn3cc(C)[nH+]c3C2)ncn1 ZINC000681238156 487756315 /nfs/dbraw/zinc/75/63/15/487756315.db2.gz QYDSUOULWCVYPE-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO CCC[N@@H+](Cn1ccsc1=O)C1CC1 ZINC000746620959 585170936 /nfs/dbraw/zinc/17/09/36/585170936.db2.gz POPQMULJWYPCDS-UHFFFAOYSA-N 1 2 212.318 1.742 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC000675709661 487768630 /nfs/dbraw/zinc/76/86/30/487768630.db2.gz XPKDXHZBXNGOOS-SSDOTTSWSA-N 1 2 229.230 1.636 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000111246857 487772229 /nfs/dbraw/zinc/77/22/29/487772229.db2.gz CUFYOQZVFFMBSP-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO Cc1cnc(=S)n(C[N@@H+](C)C2CC2)c1 ZINC000758298612 585353475 /nfs/dbraw/zinc/35/34/75/585353475.db2.gz JGKBIJQQEBFKST-UHFFFAOYSA-N 1 2 209.318 1.973 20 0 BDADLO Cc1cnc(=S)n(C[N@H+](C)C2CC2)c1 ZINC000758298612 585353476 /nfs/dbraw/zinc/35/34/76/585353476.db2.gz JGKBIJQQEBFKST-UHFFFAOYSA-N 1 2 209.318 1.973 20 0 BDADLO CC[C@@H]1C[N@@H+](CCF)CCN1CC(F)F ZINC000766268362 585499948 /nfs/dbraw/zinc/49/99/48/585499948.db2.gz JHVKEKQCFAJEMK-SECBINFHSA-N 1 2 224.270 1.617 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)CCCF ZINC000666367126 487795086 /nfs/dbraw/zinc/79/50/86/487795086.db2.gz WNVCWZSBMVCHQT-UHFFFAOYSA-N 1 2 239.294 1.514 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@H](C)C(F)F)n1 ZINC000389969285 487801778 /nfs/dbraw/zinc/80/17/78/487801778.db2.gz RLBHJMYGGGNTFI-SSDOTTSWSA-N 1 2 216.231 1.839 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H](C)C2CC2)[nH+]1 ZINC000676078450 487809718 /nfs/dbraw/zinc/80/97/18/487809718.db2.gz GENHOGTUDMUQIL-QMMMGPOBSA-N 1 2 235.335 1.704 20 0 BDADLO Cc1nc(NC[C@H](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000676078450 487809723 /nfs/dbraw/zinc/80/97/23/487809723.db2.gz GENHOGTUDMUQIL-QMMMGPOBSA-N 1 2 235.335 1.704 20 0 BDADLO CCC1(CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000676082514 487811305 /nfs/dbraw/zinc/81/13/05/487811305.db2.gz PVONQUJNGFICAL-UHFFFAOYSA-N 1 2 235.335 1.848 20 0 BDADLO CCC1(CNc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000676082514 487811312 /nfs/dbraw/zinc/81/13/12/487811312.db2.gz PVONQUJNGFICAL-UHFFFAOYSA-N 1 2 235.335 1.848 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000681550241 487812415 /nfs/dbraw/zinc/81/24/15/487812415.db2.gz MQHIABKVJPWGLL-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO Cc1nc(C(=O)N(C)CCCn2cc[nH+]c2)co1 ZINC000681554160 487815896 /nfs/dbraw/zinc/81/58/96/487815896.db2.gz MOYRAMLRCMEEPZ-UHFFFAOYSA-N 1 2 248.286 1.342 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H]3C[C@@H]3C2)cc[nH+]1 ZINC000666490759 487820695 /nfs/dbraw/zinc/82/06/95/487820695.db2.gz XYEOEPBOSHUUJD-GHMZBOCLSA-N 1 2 231.299 1.686 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](CO)C1CCC1 ZINC000666493678 487820703 /nfs/dbraw/zinc/82/07/03/487820703.db2.gz MDQQOZDWJBBLAO-GFCCVEGCSA-N 1 2 249.314 1.094 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H]3C[C@H]3C2)c(C)c[nH+]1 ZINC000666496517 487822178 /nfs/dbraw/zinc/82/21/78/487822178.db2.gz OYLSATBEABSGDZ-RYUDHWBXSA-N 1 2 245.326 1.994 20 0 BDADLO CO[C@@H](C)CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569347758 487822624 /nfs/dbraw/zinc/82/26/24/487822624.db2.gz PGZJCXBNMUGERQ-VIFPVBQESA-N 1 2 239.319 1.576 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000649938108 487824017 /nfs/dbraw/zinc/82/40/17/487824017.db2.gz XXWQVFYLROHMOM-SRVKXCTJSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000649938108 487824020 /nfs/dbraw/zinc/82/40/20/487824020.db2.gz XXWQVFYLROHMOM-SRVKXCTJSA-N 1 2 242.338 1.725 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000684325959 487824581 /nfs/dbraw/zinc/82/45/81/487824581.db2.gz ZMYWTNQHJDBMRC-SECBINFHSA-N 1 2 237.278 1.016 20 0 BDADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1F ZINC000679259053 487835969 /nfs/dbraw/zinc/83/59/69/487835969.db2.gz ZBZSNYODUYBPKL-WDEREUQCSA-N 1 2 239.294 1.480 20 0 BDADLO COc1cncc(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000676373289 487842893 /nfs/dbraw/zinc/84/28/93/487842893.db2.gz LKJXAGWXMSPIOH-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cncc(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000676373289 487842899 /nfs/dbraw/zinc/84/28/99/487842899.db2.gz LKJXAGWXMSPIOH-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO CCc1c[nH]c(=O)c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000668996144 487845181 /nfs/dbraw/zinc/84/51/81/487845181.db2.gz VVPPUTQPJMYQLX-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO CCc1c[nH]c(=O)c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000668996144 487845184 /nfs/dbraw/zinc/84/51/84/487845184.db2.gz VVPPUTQPJMYQLX-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000878791408 590623568 /nfs/dbraw/zinc/62/35/68/590623568.db2.gz DYALWHFGDBWKFR-VIFPVBQESA-N 1 2 214.696 1.093 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CCC=C(Cl)C1 ZINC000878791408 590623569 /nfs/dbraw/zinc/62/35/69/590623569.db2.gz DYALWHFGDBWKFR-VIFPVBQESA-N 1 2 214.696 1.093 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)no1 ZINC000681712286 487848430 /nfs/dbraw/zinc/84/84/30/487848430.db2.gz SVJOVAZHLLFZGM-UWVGGRQHSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)no1 ZINC000681712286 487848436 /nfs/dbraw/zinc/84/84/36/487848436.db2.gz SVJOVAZHLLFZGM-UWVGGRQHSA-N 1 2 237.303 1.590 20 0 BDADLO COCC(C)(C)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668496664 487854020 /nfs/dbraw/zinc/85/40/20/487854020.db2.gz AIKSCTOIWHFOJG-SECBINFHSA-N 1 2 237.290 1.361 20 0 BDADLO COCC(C)(C)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668496664 487854026 /nfs/dbraw/zinc/85/40/26/487854026.db2.gz AIKSCTOIWHFOJG-SECBINFHSA-N 1 2 237.290 1.361 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cncc(F)c1)CC2 ZINC000681751373 487854482 /nfs/dbraw/zinc/85/44/82/487854482.db2.gz ZHQSPUJBTSCLKK-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cncc(F)c1)CC2 ZINC000681751373 487854487 /nfs/dbraw/zinc/85/44/87/487854487.db2.gz ZHQSPUJBTSCLKK-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO CCN(C[C@@H]1CCOC1)c1cc[nH+]c(C)n1 ZINC000676491481 487855523 /nfs/dbraw/zinc/85/55/23/487855523.db2.gz DCHWCQORDSSCKU-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2CCC[C@@H]21 ZINC000681762908 487858892 /nfs/dbraw/zinc/85/88/92/487858892.db2.gz TWYRDIXQRKFAPY-MNOVXSKESA-N 1 2 219.288 1.284 20 0 BDADLO C[C@@]1(F)CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000334254594 487862784 /nfs/dbraw/zinc/86/27/84/487862784.db2.gz YAERTSQEZFIRSJ-LLVKDONJSA-N 1 2 240.282 1.027 20 0 BDADLO Cc1nccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000666711038 487863791 /nfs/dbraw/zinc/86/37/91/487863791.db2.gz QRAQPTPTROCXAV-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO Cc1nccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000666711038 487863798 /nfs/dbraw/zinc/86/37/98/487863798.db2.gz QRAQPTPTROCXAV-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO C[C@@H](NC(=O)Nc1cncnc1)c1[nH+]ccn1C ZINC000666731334 487867011 /nfs/dbraw/zinc/86/70/11/487867011.db2.gz AOWSSQRNYMZOLE-MRVPVSSYSA-N 1 2 246.274 1.093 20 0 BDADLO C[C@H](NC(=O)Nc1cncnc1)c1[nH+]ccn1C ZINC000666731335 487867245 /nfs/dbraw/zinc/86/72/45/487867245.db2.gz AOWSSQRNYMZOLE-QMMMGPOBSA-N 1 2 246.274 1.093 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2[nH]ncc2C)C1 ZINC000668514598 487877237 /nfs/dbraw/zinc/87/72/37/487877237.db2.gz LDYOGRHTARNZHL-UHFFFAOYSA-N 1 2 249.358 1.967 20 0 BDADLO CC(C)(CC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC000682024079 487879919 /nfs/dbraw/zinc/87/99/19/487879919.db2.gz IFLWCDUXIUFOPM-UHFFFAOYSA-N 1 2 249.236 1.730 20 0 BDADLO CCO[C@@H](CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000531013184 322972897 /nfs/dbraw/zinc/97/28/97/322972897.db2.gz WZKRBKLZVZVMGZ-JTQLQIEISA-N 1 2 225.292 1.149 20 0 BDADLO CC[C@H](NC(=O)c1ccnn1CC)c1[nH]cc[nH+]1 ZINC000682040521 487888580 /nfs/dbraw/zinc/88/85/80/487888580.db2.gz GOFPESXHOWPVIU-VIFPVBQESA-N 1 2 247.302 1.507 20 0 BDADLO Cn1nnc(C[N@H+](C)C(C)(C)c2ccccc2)n1 ZINC000671245742 487889636 /nfs/dbraw/zinc/88/96/36/487889636.db2.gz MTEGQMCEWUZTMH-UHFFFAOYSA-N 1 2 245.330 1.577 20 0 BDADLO Cn1nnc(C[N@@H+](C)C(C)(C)c2ccccc2)n1 ZINC000671245742 487889638 /nfs/dbraw/zinc/88/96/38/487889638.db2.gz MTEGQMCEWUZTMH-UHFFFAOYSA-N 1 2 245.330 1.577 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(O)C2)cc1OC ZINC000089647000 487891348 /nfs/dbraw/zinc/89/13/48/487891348.db2.gz YEXXJBOBYZFQSA-UHFFFAOYSA-N 1 2 237.299 1.270 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000676686533 487892701 /nfs/dbraw/zinc/89/27/01/487892701.db2.gz PFSHCOOTMIFQGP-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cnc(C[N@H+]2CCCOC[C@H]2C)o1 ZINC000676711683 487898475 /nfs/dbraw/zinc/89/84/75/487898475.db2.gz UWTIJDQZKOIBBO-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCOC[C@H]2C)o1 ZINC000676711683 487898478 /nfs/dbraw/zinc/89/84/78/487898478.db2.gz UWTIJDQZKOIBBO-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668536457 487900265 /nfs/dbraw/zinc/90/02/65/487900265.db2.gz UDVYIJOAQPKPJU-HBNTYKKESA-N 1 2 233.315 1.505 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cscn1 ZINC000676713517 487902461 /nfs/dbraw/zinc/90/24/61/487902461.db2.gz PTSXJAGYZZVZOO-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cscn1 ZINC000676713517 487902468 /nfs/dbraw/zinc/90/24/68/487902468.db2.gz PTSXJAGYZZVZOO-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CCc1cc(C(=O)Nc2ccc(N)[nH+]c2)n(C)n1 ZINC000090127224 487905467 /nfs/dbraw/zinc/90/54/67/487905467.db2.gz KLRXTQILTRFLMJ-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)[C@@H](C)[C@H](C)O1 ZINC000682091065 487908601 /nfs/dbraw/zinc/90/86/01/487908601.db2.gz FFSISNNCAZHXHS-UTLUCORTSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)[C@@H](C)[C@H](C)O1 ZINC000682091065 487908606 /nfs/dbraw/zinc/90/86/06/487908606.db2.gz FFSISNNCAZHXHS-UTLUCORTSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccsc1 ZINC000669919518 487924149 /nfs/dbraw/zinc/92/41/49/487924149.db2.gz WAKOYJPKBQJSEQ-SECBINFHSA-N 1 2 235.312 1.822 20 0 BDADLO Cc1c(C[N@@H+]2CCc3cn[nH]c3C2)cnn1C ZINC000676793706 487930809 /nfs/dbraw/zinc/93/08/09/487930809.db2.gz NQCCVYYIBCPJKA-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1c(C[N@H+]2CCc3cn[nH]c3C2)cnn1C ZINC000676793706 487930814 /nfs/dbraw/zinc/93/08/14/487930814.db2.gz NQCCVYYIBCPJKA-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO CCc1nc(C[NH2+]C2COCCOC2)cs1 ZINC000309522156 487934676 /nfs/dbraw/zinc/93/46/76/487934676.db2.gz AOTAFXVYOUFSRL-UHFFFAOYSA-N 1 2 242.344 1.211 20 0 BDADLO CO[C@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000652406949 487946767 /nfs/dbraw/zinc/94/67/67/487946767.db2.gz VPUCPCXTBZPUQW-MRVPVSSYSA-N 1 2 225.292 1.104 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCOC1 ZINC000676945279 487948305 /nfs/dbraw/zinc/94/83/05/487948305.db2.gz VWQMYFBOOQPVGY-JTQLQIEISA-N 1 2 246.270 1.245 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665915641 487949733 /nfs/dbraw/zinc/94/97/33/487949733.db2.gz KCIFTHOUGMMVDH-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665915641 487949735 /nfs/dbraw/zinc/94/97/35/487949735.db2.gz KCIFTHOUGMMVDH-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO C[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857720 533705197 /nfs/dbraw/zinc/70/51/97/533705197.db2.gz DYOIRRTUQIWOTH-XRVBUDJMSA-N 1 2 205.261 1.434 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667161099 487951211 /nfs/dbraw/zinc/95/12/11/487951211.db2.gz VKWGESUTTXCHTP-SNVBAGLBSA-N 1 2 245.282 1.424 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667161099 487951214 /nfs/dbraw/zinc/95/12/14/487951214.db2.gz VKWGESUTTXCHTP-SNVBAGLBSA-N 1 2 245.282 1.424 20 0 BDADLO CCc1noc([C@@H](C)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000661084835 487954354 /nfs/dbraw/zinc/95/43/54/487954354.db2.gz FVTVBFOPCSLXBA-MRVPVSSYSA-N 1 2 235.291 1.548 20 0 BDADLO CCc1noc([C@@H](C)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000661084835 487954360 /nfs/dbraw/zinc/95/43/60/487954360.db2.gz FVTVBFOPCSLXBA-MRVPVSSYSA-N 1 2 235.291 1.548 20 0 BDADLO CC1(CC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000569426018 322965874 /nfs/dbraw/zinc/96/58/74/322965874.db2.gz QCSWNFWEMONARF-UHFFFAOYSA-N 1 2 219.288 1.457 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000561720657 323005950 /nfs/dbraw/zinc/00/59/50/323005950.db2.gz URTAJWMIAQANRK-MXWKQRLJSA-N 1 2 248.330 1.296 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)[C@H](C)C1 ZINC000398346153 323010618 /nfs/dbraw/zinc/01/06/18/323010618.db2.gz XGRFXAKFLUNLHI-FXPVBKGRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)[C@H](C)C1 ZINC000398346153 323010619 /nfs/dbraw/zinc/01/06/19/323010619.db2.gz XGRFXAKFLUNLHI-FXPVBKGRSA-N 1 2 208.309 1.719 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1cc(C)on1 ZINC000566689116 323010940 /nfs/dbraw/zinc/01/09/40/323010940.db2.gz NWKIUTOYYLMUHJ-UHFFFAOYSA-N 1 2 249.274 1.000 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1cc(C)on1 ZINC000566689116 323010941 /nfs/dbraw/zinc/01/09/41/323010941.db2.gz NWKIUTOYYLMUHJ-UHFFFAOYSA-N 1 2 249.274 1.000 20 0 BDADLO CC[C@@H]1CN(c2[nH+]cccc2OC)C[C@@H]1O ZINC000400057536 323013855 /nfs/dbraw/zinc/01/38/55/323013855.db2.gz XPGDSWNKQVZYOE-ZJUUUORDSA-N 1 2 222.288 1.297 20 0 BDADLO CC(C)(C(=O)NCC1=CCCOC1)c1c[nH]c[nH+]1 ZINC000562358349 323017645 /nfs/dbraw/zinc/01/76/45/323017645.db2.gz LNCBQVXOWHTCCU-UHFFFAOYSA-N 1 2 249.314 1.150 20 0 BDADLO COCCCn1ccc(NCc2c[nH+]cn2C)n1 ZINC000151631109 323021428 /nfs/dbraw/zinc/02/14/28/323021428.db2.gz NEXGYAYLLOFSLC-UHFFFAOYSA-N 1 2 249.318 1.265 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)CCC1CC1 ZINC000562512956 323022157 /nfs/dbraw/zinc/02/21/57/323022157.db2.gz XIKDGVXOCOVFKJ-UHFFFAOYSA-N 1 2 237.351 1.705 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)CCC1CC1 ZINC000562512956 323022158 /nfs/dbraw/zinc/02/21/58/323022158.db2.gz XIKDGVXOCOVFKJ-UHFFFAOYSA-N 1 2 237.351 1.705 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000562521327 323022717 /nfs/dbraw/zinc/02/27/17/323022717.db2.gz LNKFMVAZQNGBQJ-MWLCHTKSSA-N 1 2 219.288 1.313 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000562636510 323025959 /nfs/dbraw/zinc/02/59/59/323025959.db2.gz JRXMWYRUYTVFNQ-GFCCVEGCSA-N 1 2 235.331 1.968 20 0 BDADLO OCC1(C[N@@H+]2Cc3cccc(F)c3C2)COC1 ZINC000562684685 323027493 /nfs/dbraw/zinc/02/74/93/323027493.db2.gz PTFZZNLYFOIZEN-UHFFFAOYSA-N 1 2 237.274 1.150 20 0 BDADLO OCC1(C[N@H+]2Cc3cccc(F)c3C2)COC1 ZINC000562684685 323027494 /nfs/dbraw/zinc/02/74/94/323027494.db2.gz PTFZZNLYFOIZEN-UHFFFAOYSA-N 1 2 237.274 1.150 20 0 BDADLO O[C@@H](CNc1cc[nH+]c2ccncc12)C1CCC1 ZINC000562705103 323028438 /nfs/dbraw/zinc/02/84/38/323028438.db2.gz DLPNKVWIMOILSX-AWEZNQCLSA-N 1 2 243.310 1.625 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000562778845 323030408 /nfs/dbraw/zinc/03/04/08/323030408.db2.gz DSJZRAVSDFKZQP-WDEREUQCSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000562778843 323030431 /nfs/dbraw/zinc/03/04/31/323030431.db2.gz DSJZRAVSDFKZQP-MNOVXSKESA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H](CCC1CC1)NC(=O)Cc1c[nH+]cn1C ZINC000562883044 323032730 /nfs/dbraw/zinc/03/27/30/323032730.db2.gz NYNWVIKCIFUHFE-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H](CCC1CC1)NC(=O)Cc1c[nH+]cn1C ZINC000562883045 323032747 /nfs/dbraw/zinc/03/27/47/323032747.db2.gz NYNWVIKCIFUHFE-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO CCN1C[C@@H](C)[N@H+](Cc2ncccc2O)C[C@@H]1C ZINC000562900958 323033205 /nfs/dbraw/zinc/03/32/05/323033205.db2.gz AOQHXPYICBPSLE-NWDGAFQWSA-N 1 2 249.358 1.702 20 0 BDADLO CCN1C[C@@H](C)[N@@H+](Cc2ncccc2O)C[C@@H]1C ZINC000562900958 323033206 /nfs/dbraw/zinc/03/32/06/323033206.db2.gz AOQHXPYICBPSLE-NWDGAFQWSA-N 1 2 249.358 1.702 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000569688558 323036921 /nfs/dbraw/zinc/03/69/21/323036921.db2.gz WHZSRPZLNHQPDM-WPRPVWTQSA-N 1 2 233.315 1.744 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000569688558 323036922 /nfs/dbraw/zinc/03/69/22/323036922.db2.gz WHZSRPZLNHQPDM-WPRPVWTQSA-N 1 2 233.315 1.744 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC=CCC1 ZINC000569867371 323043094 /nfs/dbraw/zinc/04/30/94/323043094.db2.gz HRMIGHPERGZBEY-QMMMGPOBSA-N 1 2 244.302 1.296 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](F)C1 ZINC000569858891 323043237 /nfs/dbraw/zinc/04/32/37/323043237.db2.gz KDJVEZMAGQXEAV-JTQLQIEISA-N 1 2 239.294 1.313 20 0 BDADLO Cc1nn(C)cc1CNc1nc(C)[nH+]cc1C ZINC000570060841 323048923 /nfs/dbraw/zinc/04/89/23/323048923.db2.gz UDHHBFXDWOZKPL-UHFFFAOYSA-N 1 2 231.303 1.169 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(F)cc1O ZINC000570072384 323049228 /nfs/dbraw/zinc/04/92/28/323049228.db2.gz YUGHKIONOSMCIM-UHFFFAOYSA-N 1 2 249.245 1.446 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000570281058 323055017 /nfs/dbraw/zinc/05/50/17/323055017.db2.gz SECHJECATPLOBO-LLVKDONJSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C1CC1 ZINC000570407126 323058602 /nfs/dbraw/zinc/05/86/02/323058602.db2.gz JJCAEWZMGZUIEI-QXEWZRGKSA-N 1 2 248.330 1.987 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(F)F ZINC000570411938 323058884 /nfs/dbraw/zinc/05/88/84/323058884.db2.gz VAKFOUSHDGDZOG-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(F)F ZINC000570411938 323058885 /nfs/dbraw/zinc/05/88/85/323058885.db2.gz VAKFOUSHDGDZOG-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccncc1C ZINC000570592534 323064140 /nfs/dbraw/zinc/06/41/40/323064140.db2.gz POWAURPQVWZTJP-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccncc1C ZINC000570592534 323064141 /nfs/dbraw/zinc/06/41/41/323064141.db2.gz POWAURPQVWZTJP-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H](CO)C1 ZINC000160303703 323064767 /nfs/dbraw/zinc/06/47/67/323064767.db2.gz NPBJTIAHKIQQPK-SNVBAGLBSA-N 1 2 222.288 1.299 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H](O)C2CCC2)cc[nH+]1 ZINC000570793539 323070528 /nfs/dbraw/zinc/07/05/28/323070528.db2.gz IVVQHKWHHPTVQB-GFCCVEGCSA-N 1 2 249.314 1.094 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000563030405 323080480 /nfs/dbraw/zinc/08/04/80/323080480.db2.gz GOJCUNAOFNCYBX-VWYCJHECSA-N 1 2 248.330 1.408 20 0 BDADLO O=C([C@H]1C[C@@H]1C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000531195851 323085111 /nfs/dbraw/zinc/08/51/11/323085111.db2.gz LETHNXFGSJWDMO-NEPJUHHUSA-N 1 2 231.299 1.313 20 0 BDADLO Cc1cc(=NC(=O)Nc2cc(C)[nH+]cc2C)[nH][nH]1 ZINC000567820261 323089470 /nfs/dbraw/zinc/08/94/70/323089470.db2.gz HNHIDPVKEAHTBZ-UHFFFAOYSA-N 1 2 245.286 1.218 20 0 BDADLO C[C@H](CC(=O)NCC(C)(C)C)n1cc[nH+]c1 ZINC000563221800 323104824 /nfs/dbraw/zinc/10/48/24/323104824.db2.gz DVXMTBVYNUXPGN-SNVBAGLBSA-N 1 2 223.320 1.997 20 0 BDADLO COc1ccc[nH+]c1N1CCC([C@H](C)O)CC1 ZINC000234946033 323105702 /nfs/dbraw/zinc/10/57/02/323105702.db2.gz AFYYYKMXQAZILS-JTQLQIEISA-N 1 2 236.315 1.687 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC(C)(C)CO ZINC000565435355 323107118 /nfs/dbraw/zinc/10/71/18/323107118.db2.gz ZZCCJYNARUPRCN-UHFFFAOYSA-N 1 2 223.320 1.336 20 0 BDADLO COC[C@@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563283964 323108423 /nfs/dbraw/zinc/10/84/23/323108423.db2.gz FIJDFXOYGBYFSB-VIFPVBQESA-N 1 2 239.319 1.434 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531812839 323114629 /nfs/dbraw/zinc/11/46/29/323114629.db2.gz NWMCJRSFHUWJDD-AAEUAGOBSA-N 1 2 233.315 1.703 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCOCC1CC1)C1CC1 ZINC000534315229 323116314 /nfs/dbraw/zinc/11/63/14/323116314.db2.gz PLBXRTIIUQYLMN-CYBMUJFWSA-N 1 2 241.331 1.344 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1F ZINC000401750509 323119214 /nfs/dbraw/zinc/11/92/14/323119214.db2.gz NIHGRJVKZDMLJX-UHFFFAOYSA-N 1 2 247.273 1.532 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C)C1 ZINC000563385577 323122339 /nfs/dbraw/zinc/12/23/39/323122339.db2.gz PRVCQFHEKOQIPF-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C)C1 ZINC000563385577 323122340 /nfs/dbraw/zinc/12/23/40/323122340.db2.gz PRVCQFHEKOQIPF-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC1CCCC1 ZINC000563420015 323123909 /nfs/dbraw/zinc/12/39/09/323123909.db2.gz IMSGTNZTTARYFW-UHFFFAOYSA-N 1 2 232.291 1.130 20 0 BDADLO CCC[C@H](CNc1nc(C)[nH+]cc1C)OC ZINC000563423715 323124272 /nfs/dbraw/zinc/12/42/72/323124272.db2.gz IQJDDQTUUPDPNI-LLVKDONJSA-N 1 2 223.320 1.742 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CC12CC2 ZINC000563422667 323124311 /nfs/dbraw/zinc/12/43/11/323124311.db2.gz AMXXDDRRHIPCHH-JTQLQIEISA-N 1 2 203.289 1.727 20 0 BDADLO COC(=O)[C@H]1CC[C@@H](Nc2nc(C)[nH+]cc2C)C1 ZINC000563548504 323129746 /nfs/dbraw/zinc/12/97/46/323129746.db2.gz HQNKBYSJPHJENN-WDEREUQCSA-N 1 2 249.314 1.847 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CCCNC1=O ZINC000571150154 323136535 /nfs/dbraw/zinc/13/65/35/323136535.db2.gz QGWGFIGPIGZWFF-NSHDSACASA-N 1 2 248.326 1.857 20 0 BDADLO COC[C@H]1CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000571377592 323143049 /nfs/dbraw/zinc/14/30/49/323143049.db2.gz NNTNGCMVUFTWRD-LLVKDONJSA-N 1 2 249.314 1.373 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H](C1CC1)C1CCC1 ZINC000571379399 323143139 /nfs/dbraw/zinc/14/31/39/323143139.db2.gz SZWHLQPNECOHON-ZDUSSCGKSA-N 1 2 233.315 1.578 20 0 BDADLO Cc1cc(N[C@@H]([C@H](CO)C2CC2)C2CC2)nc[nH+]1 ZINC000571493551 323145971 /nfs/dbraw/zinc/14/59/71/323145971.db2.gz OTYBVHMZDKANQV-TZMCWYRMSA-N 1 2 247.342 1.994 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@@H](F)C1 ZINC000572856103 323149324 /nfs/dbraw/zinc/14/93/24/323149324.db2.gz XZHJJDLJIPJWHV-RQJHMYQMSA-N 1 2 226.255 1.370 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@@H](F)C1 ZINC000572856103 323149325 /nfs/dbraw/zinc/14/93/25/323149325.db2.gz XZHJJDLJIPJWHV-RQJHMYQMSA-N 1 2 226.255 1.370 20 0 BDADLO CCCCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000571634932 323150097 /nfs/dbraw/zinc/15/00/97/323150097.db2.gz SWYASCHZOWFNHA-SECBINFHSA-N 1 2 227.333 1.401 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cnn(C)c1 ZINC000049316069 323159590 /nfs/dbraw/zinc/15/95/90/323159590.db2.gz AFVXJPMBXBQNPP-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)OC)C[C@H](C)O1 ZINC000111694640 323162862 /nfs/dbraw/zinc/16/28/62/323162862.db2.gz FICZWOHJPZUVRR-LPEHRKFASA-N 1 2 215.293 1.047 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)OC)C[C@H](C)O1 ZINC000111694640 323162863 /nfs/dbraw/zinc/16/28/63/323162863.db2.gz FICZWOHJPZUVRR-LPEHRKFASA-N 1 2 215.293 1.047 20 0 BDADLO c1cc(C[NH2+]CCc2cnc(C3CC3)nc2)[nH]n1 ZINC000535188764 323167946 /nfs/dbraw/zinc/16/79/46/323167946.db2.gz BGUNTCOGDVPGHE-UHFFFAOYSA-N 1 2 243.314 1.409 20 0 BDADLO c1nc2cc(C[NH+]3CCOCC3)ccc2[nH]1 ZINC000113144623 323173260 /nfs/dbraw/zinc/17/32/60/323173260.db2.gz XCWVLBKSGPPFNW-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO c1nc2ccc(C[NH+]3CCOCC3)cc2[nH]1 ZINC000113144623 323173261 /nfs/dbraw/zinc/17/32/61/323173261.db2.gz XCWVLBKSGPPFNW-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)C(C)(C)C ZINC000563717355 323175392 /nfs/dbraw/zinc/17/53/92/323175392.db2.gz UGPXRFAJFZRWLZ-SECBINFHSA-N 1 2 238.335 1.654 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000563736255 323176459 /nfs/dbraw/zinc/17/64/59/323176459.db2.gz CSKYFKBUUJYMRS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000563736255 323176460 /nfs/dbraw/zinc/17/64/60/323176460.db2.gz CSKYFKBUUJYMRS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)C1(O)CCCC1 ZINC000563784820 323177716 /nfs/dbraw/zinc/17/77/16/323177716.db2.gz VMLYRJIBHPBZDG-UHFFFAOYSA-N 1 2 249.314 1.463 20 0 BDADLO CCCC1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000563879221 323182428 /nfs/dbraw/zinc/18/24/28/323182428.db2.gz VPFHIUFHXIAEGZ-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1cc(NC(=O)C2CCC(=O)CC2)c(C)c[nH+]1 ZINC000535748600 323190355 /nfs/dbraw/zinc/19/03/55/323190355.db2.gz SDGIVEAUYJGZQW-UHFFFAOYSA-N 1 2 246.310 1.818 20 0 BDADLO COC(=O)c1cccc(Cn2cc[nH+]c2)n1 ZINC000520331388 323218985 /nfs/dbraw/zinc/21/89/85/323218985.db2.gz BPPWDNVKOQCCEX-UHFFFAOYSA-N 1 2 217.228 1.113 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)Nc2cccc3[nH+]ccn32)O1 ZINC000532433255 323264591 /nfs/dbraw/zinc/26/45/91/323264591.db2.gz AFBHTUCQFGGHAC-NXEZZACHSA-N 1 2 245.282 1.840 20 0 BDADLO O=C(C[NH+]1C2CCC1CC2)Nc1nccs1 ZINC000532466410 323266570 /nfs/dbraw/zinc/26/65/70/323266570.db2.gz LSCUBRIVBHVVSN-UHFFFAOYSA-N 1 2 237.328 1.708 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc[nH+]c(C3CC3)n2)o1 ZINC000532883550 323311683 /nfs/dbraw/zinc/31/16/83/323311683.db2.gz FMLGIJAUEOZNIX-ZETCQYMHSA-N 1 2 245.286 1.640 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CCC2(CC2)CC1 ZINC000563930749 323324000 /nfs/dbraw/zinc/32/40/00/323324000.db2.gz YJVIHSMEIISEQW-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000530404350 323384312 /nfs/dbraw/zinc/38/43/12/323384312.db2.gz LNQKCRNIXXCJLS-GRYCIOLGSA-N 1 2 249.358 1.856 20 0 BDADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1[nH+]cccc1OC ZINC000527944551 323723048 /nfs/dbraw/zinc/72/30/48/323723048.db2.gz NVPZBVUERSOARH-UWVGGRQHSA-N 1 2 249.314 1.417 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCn2cc[nH+]c2)[C@H]1C1CC1 ZINC000527947933 323724034 /nfs/dbraw/zinc/72/40/34/323724034.db2.gz YUSTYBOQDOJNMR-MVWJERBFSA-N 1 2 233.315 1.291 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)co1 ZINC000660375300 487961541 /nfs/dbraw/zinc/96/15/41/487961541.db2.gz RWJXECXQFAHJHU-LPEHRKFASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)co1 ZINC000660375300 487961546 /nfs/dbraw/zinc/96/15/46/487961546.db2.gz RWJXECXQFAHJHU-LPEHRKFASA-N 1 2 224.304 1.981 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@H](F)C1)c1[nH+]ccn1C ZINC000667248921 487961612 /nfs/dbraw/zinc/96/16/12/487961612.db2.gz IWMVUPVILRNERQ-BDAKNGLRSA-N 1 2 240.282 1.235 20 0 BDADLO O[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000116931013 323891240 /nfs/dbraw/zinc/89/12/40/323891240.db2.gz LENFALKCANHWFV-LLVKDONJSA-N 1 2 214.268 1.806 20 0 BDADLO C[C@H](NC(=O)N1[C@@H](C)C[C@@H]1C)c1[nH+]ccn1C ZINC000667249871 487961878 /nfs/dbraw/zinc/96/18/78/487961878.db2.gz BCZMECKBXYMWQT-GUBZILKMSA-N 1 2 236.319 1.673 20 0 BDADLO C[C@H](NC(=O)N1CC(C)(C)C1)c1[nH+]ccn1C ZINC000667250714 487961949 /nfs/dbraw/zinc/96/19/49/487961949.db2.gz UJTYKMKTNINPIZ-VIFPVBQESA-N 1 2 236.319 1.533 20 0 BDADLO COc1c(C[NH2+]Cc2ccc(C)o2)c(C)nn1C ZINC000123010567 324074382 /nfs/dbraw/zinc/07/43/82/324074382.db2.gz XETCFJOSMABUII-UHFFFAOYSA-N 1 2 249.314 1.928 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000537760313 324101794 /nfs/dbraw/zinc/10/17/94/324101794.db2.gz WTHHBSWSXFFYQP-NXEZZACHSA-N 1 2 245.282 1.698 20 0 BDADLO COC(=O)C1([NH2+]CCc2cn[nH]c2)CCCC1 ZINC000459370034 324146151 /nfs/dbraw/zinc/14/61/51/324146151.db2.gz GUSNMYKUPVLDSQ-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO Cc1cc(C)c(NC(=O)NCC2COC2)c(C)[nH+]1 ZINC000529102193 324245748 /nfs/dbraw/zinc/24/57/48/324245748.db2.gz GZMSDWQFWJLRTD-UHFFFAOYSA-N 1 2 249.314 1.775 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCCC23CC3)c1 ZINC000529479354 324310543 /nfs/dbraw/zinc/31/05/43/324310543.db2.gz YQXNKELNWFTNGV-GFCCVEGCSA-N 1 2 247.342 1.659 20 0 BDADLO CCCN(CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667256223 487962860 /nfs/dbraw/zinc/96/28/60/487962860.db2.gz HFVCXUZYLWXWTM-SNVBAGLBSA-N 1 2 238.335 1.923 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000529591689 324355525 /nfs/dbraw/zinc/35/55/25/324355525.db2.gz UQZKKFFOLNOCJF-MXWKQRLJSA-N 1 2 233.315 1.884 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000529591690 324355629 /nfs/dbraw/zinc/35/56/29/324355629.db2.gz UQZKKFFOLNOCJF-OUAUKWLOSA-N 1 2 233.315 1.884 20 0 BDADLO OCCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC000529601736 324360964 /nfs/dbraw/zinc/36/09/64/324360964.db2.gz QTIIDGICYKRODK-UHFFFAOYSA-N 1 2 210.252 1.035 20 0 BDADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1csnn1 ZINC000529668173 324374926 /nfs/dbraw/zinc/37/49/26/324374926.db2.gz DPLCAHVHZIHIJO-ZJUUUORDSA-N 1 2 227.333 1.584 20 0 BDADLO CCCN(CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667256222 487963006 /nfs/dbraw/zinc/96/30/06/487963006.db2.gz HFVCXUZYLWXWTM-JTQLQIEISA-N 1 2 238.335 1.923 20 0 BDADLO C[C@H](NC(=O)NC1(C)CCC1)c1[nH+]ccn1C ZINC000667253098 487963325 /nfs/dbraw/zinc/96/33/25/487963325.db2.gz XYQIUCFKPIBBLI-VIFPVBQESA-N 1 2 236.319 1.723 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c[nH+]1 ZINC000529982467 324446277 /nfs/dbraw/zinc/44/62/77/324446277.db2.gz RNXMMBNZOMTEOO-LEQIOUOKSA-N 1 2 237.303 1.260 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)NCCCF)cc2n1C ZINC000530287734 324574834 /nfs/dbraw/zinc/57/48/34/324574834.db2.gz SXFWEGKTXVRIND-UHFFFAOYSA-N 1 2 249.289 1.971 20 0 BDADLO C[C@@H](NC(=O)c1cccs1)c1[nH]cc[nH+]1 ZINC000125375940 324638881 /nfs/dbraw/zinc/63/88/81/324638881.db2.gz RMMNVDIOJCBHMX-SSDOTTSWSA-N 1 2 221.285 1.962 20 0 BDADLO Cc1ccc(/C=C/C(=O)NCCn2cc[nH+]c2)o1 ZINC000068741870 324896542 /nfs/dbraw/zinc/89/65/42/324896542.db2.gz PMTKXJUEWKFDIV-SNAWJCMRSA-N 1 2 245.282 1.614 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c(C)c[nH+]1 ZINC000540948933 324934550 /nfs/dbraw/zinc/93/45/50/324934550.db2.gz GXFMXPJMXBGXNF-UHTWSYAYSA-N 1 2 246.310 1.484 20 0 BDADLO O=c1[nH]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000070163098 324995893 /nfs/dbraw/zinc/99/58/93/324995893.db2.gz WYAKGDQWSZAJSM-UHFFFAOYSA-N 1 2 242.282 1.616 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2nnc(C)o2)ccn1 ZINC000542616470 325037095 /nfs/dbraw/zinc/03/70/95/325037095.db2.gz ZPJZWPBFRIPORV-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1cccnc1 ZINC000070980848 325048446 /nfs/dbraw/zinc/04/84/46/325048446.db2.gz BZYMOUCHMDBIIT-SNAWJCMRSA-N 1 2 242.282 1.477 20 0 BDADLO CCOc1nccnc1NCCCn1cc[nH+]c1 ZINC000542828196 325055211 /nfs/dbraw/zinc/05/52/11/325055211.db2.gz QFPRDXSNKLEHDX-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO Cc1cc(C)c(C(=O)Nc2cc[nH+]cc2O)[nH]1 ZINC000131274284 325133428 /nfs/dbraw/zinc/13/34/28/325133428.db2.gz MWIYWISVJSKUQA-UHFFFAOYSA-N 1 2 231.255 1.984 20 0 BDADLO Cc1cc(NC(=O)NCC[C@@H]2CCOC2)cc[nH+]1 ZINC000544262412 325136644 /nfs/dbraw/zinc/13/66/44/325136644.db2.gz RZOSXQTVDHJTHF-LLVKDONJSA-N 1 2 249.314 1.360 20 0 BDADLO Cc1[nH]ccc1C(=O)NCCc1c[nH+]cn1C ZINC000544365815 325139310 /nfs/dbraw/zinc/13/93/10/325139310.db2.gz KUOKOMWIOBMNCJ-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)NCC(C)C)CCO1 ZINC000132079255 325197426 /nfs/dbraw/zinc/19/74/26/325197426.db2.gz KHKTXKUHXVYOND-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)NCC(C)C)CCO1 ZINC000132079255 325197428 /nfs/dbraw/zinc/19/74/28/325197428.db2.gz KHKTXKUHXVYOND-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO C[N@H+](Cc1cccnc1)[C@H]1CCN(C2CC2)C1=O ZINC000132494660 325221325 /nfs/dbraw/zinc/22/13/25/325221325.db2.gz WXMBBVIWSIMVNJ-ZDUSSCGKSA-N 1 2 245.326 1.277 20 0 BDADLO C[N@@H+](Cc1cccnc1)[C@H]1CCN(C2CC2)C1=O ZINC000132494660 325221327 /nfs/dbraw/zinc/22/13/27/325221327.db2.gz WXMBBVIWSIMVNJ-ZDUSSCGKSA-N 1 2 245.326 1.277 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000132571864 325225950 /nfs/dbraw/zinc/22/59/50/325225950.db2.gz FSWQQNOQGFXEQX-JQWIXIFHSA-N 1 2 240.347 1.154 20 0 BDADLO CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000132571864 325225952 /nfs/dbraw/zinc/22/59/52/325225952.db2.gz FSWQQNOQGFXEQX-JQWIXIFHSA-N 1 2 240.347 1.154 20 0 BDADLO CCN(C(=O)N1CC(n2cc[nH+]c2)C1)C(C)C ZINC000546598449 325291503 /nfs/dbraw/zinc/29/15/03/325291503.db2.gz ZVJLDNQNPFIQKH-UHFFFAOYSA-N 1 2 236.319 1.590 20 0 BDADLO C[C@H](CN1CCCC1=O)Nc1cccc[nH+]1 ZINC000076871992 325358600 /nfs/dbraw/zinc/35/86/00/325358600.db2.gz XRCUFCRSICZIRC-SNVBAGLBSA-N 1 2 219.288 1.504 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)n1C ZINC000135071949 325391499 /nfs/dbraw/zinc/39/14/99/325391499.db2.gz KKUBHOSMPGTRJO-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000547786545 325397933 /nfs/dbraw/zinc/39/79/33/325397933.db2.gz GWZWAGLMCFRIMO-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1cccc(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000547786545 325397934 /nfs/dbraw/zinc/39/79/34/325397934.db2.gz GWZWAGLMCFRIMO-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1[nH+]c2ccccn2c1Cn1ncsc1=O ZINC000135468501 325413634 /nfs/dbraw/zinc/41/36/34/325413634.db2.gz PTISYVCSYPUWMX-UHFFFAOYSA-N 1 2 246.295 1.309 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@](C)(CC)C1 ZINC000135645677 325421169 /nfs/dbraw/zinc/42/11/69/325421169.db2.gz NGJAPJSUCBLAQP-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1cccnc1NC(=O)Cc1c[nH+]cn1C ZINC000548520054 325465813 /nfs/dbraw/zinc/46/58/13/325465813.db2.gz RESDRFBUGNJVKL-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO CCO[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227780 325611805 /nfs/dbraw/zinc/61/18/05/325611805.db2.gz QTQFYZMIUMMYCL-SFYZADRCSA-N 1 2 211.265 1.012 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)OC)[C@H](C)CC ZINC000248615679 325614745 /nfs/dbraw/zinc/61/47/45/325614745.db2.gz YWMUJMJOMWTLGM-OUAUKWLOSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1CCC(=O)[C@@H]1C)c1[nH]cc[nH+]1 ZINC000552557261 325653489 /nfs/dbraw/zinc/65/34/89/325653489.db2.gz AKNAILQHSDXGJJ-OPRDCNLKSA-N 1 2 249.314 1.592 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000553372706 325688147 /nfs/dbraw/zinc/68/81/47/325688147.db2.gz BXWSCOYCWFFVDD-LLVKDONJSA-N 1 2 248.326 1.979 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000555215675 325749919 /nfs/dbraw/zinc/74/99/19/325749919.db2.gz OLBZHUZFNLKQJV-SECBINFHSA-N 1 2 207.277 1.140 20 0 BDADLO CC(=O)C1(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556127310 325779523 /nfs/dbraw/zinc/77/95/23/325779523.db2.gz LBDXXZIAUYCCNH-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000566305984 326031901 /nfs/dbraw/zinc/03/19/01/326031901.db2.gz CPDQPPQOBPFXPJ-ZJUUUORDSA-N 1 2 239.344 1.600 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000566305984 326031903 /nfs/dbraw/zinc/03/19/03/326031903.db2.gz CPDQPPQOBPFXPJ-ZJUUUORDSA-N 1 2 239.344 1.600 20 0 BDADLO CC/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566309504 326032384 /nfs/dbraw/zinc/03/23/84/326032384.db2.gz ZROAVWPMGZBTJI-ZWNMCFTASA-N 1 2 221.304 1.917 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC12CCC2 ZINC000566446039 326048672 /nfs/dbraw/zinc/04/86/72/326048672.db2.gz GVELABQPGMZJKR-JTQLQIEISA-N 1 2 233.315 1.743 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC12CCC2 ZINC000566446039 326048673 /nfs/dbraw/zinc/04/86/73/326048673.db2.gz GVELABQPGMZJKR-JTQLQIEISA-N 1 2 233.315 1.743 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C)CC1 ZINC000566457966 326050819 /nfs/dbraw/zinc/05/08/19/326050819.db2.gz MXIZPFNNJFCJCB-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C)CC1 ZINC000566457966 326050820 /nfs/dbraw/zinc/05/08/20/326050820.db2.gz MXIZPFNNJFCJCB-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC=CCC1 ZINC000566925218 326095052 /nfs/dbraw/zinc/09/50/52/326095052.db2.gz ZXTXZTZIBLBJPW-QWRGUYRKSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC=CCC1 ZINC000566925218 326095054 /nfs/dbraw/zinc/09/50/54/326095054.db2.gz ZXTXZTZIBLBJPW-QWRGUYRKSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC=CCC1 ZINC000566925216 326095206 /nfs/dbraw/zinc/09/52/06/326095206.db2.gz ZXTXZTZIBLBJPW-GHMZBOCLSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC=CCC1 ZINC000566925216 326095208 /nfs/dbraw/zinc/09/52/08/326095208.db2.gz ZXTXZTZIBLBJPW-GHMZBOCLSA-N 1 2 233.315 1.813 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccc(C)nc1 ZINC000153788406 326113060 /nfs/dbraw/zinc/11/30/60/326113060.db2.gz SXPFXWQQKSZHRN-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C)nc1 ZINC000153788406 326113062 /nfs/dbraw/zinc/11/30/62/326113062.db2.gz SXPFXWQQKSZHRN-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)O1 ZINC000567123055 326119935 /nfs/dbraw/zinc/11/99/35/326119935.db2.gz YRHIHJGNUWHONM-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc[nH+]c(C)n2)o1 ZINC000309759758 326166960 /nfs/dbraw/zinc/16/69/60/326166960.db2.gz IJZRVRRRVKMTEL-ZCFIWIBFSA-N 1 2 219.248 1.650 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000567486097 326202670 /nfs/dbraw/zinc/20/26/70/326202670.db2.gz ZVQRBQKQOOSRHK-IXLVHKGHSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000567486097 326202671 /nfs/dbraw/zinc/20/26/71/326202671.db2.gz ZVQRBQKQOOSRHK-IXLVHKGHSA-N 1 2 233.315 1.503 20 0 BDADLO CC[C@@H](COC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567504953 326206477 /nfs/dbraw/zinc/20/64/77/326206477.db2.gz HKOMIFSPMIWXBG-MNOVXSKESA-N 1 2 239.319 1.375 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000156291314 326226182 /nfs/dbraw/zinc/22/61/82/326226182.db2.gz INDOTURNRCUUBV-HZSPNIEDSA-N 1 2 239.407 1.401 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N1CCCCC1 ZINC000156401417 326231159 /nfs/dbraw/zinc/23/11/59/326231159.db2.gz QXAWKDUAJYKIGV-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000156401417 326231156 /nfs/dbraw/zinc/23/11/56/326231156.db2.gz QXAWKDUAJYKIGV-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H](O)[C@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000567695735 326246946 /nfs/dbraw/zinc/24/69/46/326246946.db2.gz BAZFXSXQYMBTMY-QWRGUYRKSA-N 1 2 246.314 1.126 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1(CF)CCC1 ZINC000567768467 326257125 /nfs/dbraw/zinc/25/71/25/326257125.db2.gz OJRVEOKAHSVTTA-UHFFFAOYSA-N 1 2 235.266 1.667 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2ccncc2C)C1 ZINC000567790372 326258399 /nfs/dbraw/zinc/25/83/99/326258399.db2.gz YTCWXFSKMQDMCK-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2ccncc2C)C1 ZINC000567790372 326258400 /nfs/dbraw/zinc/25/84/00/326258400.db2.gz YTCWXFSKMQDMCK-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000567985900 326291705 /nfs/dbraw/zinc/29/17/05/326291705.db2.gz BZJNXMXELZHEJF-JTQLQIEISA-N 1 2 241.360 1.703 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000567985900 326291709 /nfs/dbraw/zinc/29/17/09/326291709.db2.gz BZJNXMXELZHEJF-JTQLQIEISA-N 1 2 241.360 1.703 20 0 BDADLO C[C@H](CC(=O)NCCCCF)n1cc[nH+]c1 ZINC000567993141 326293244 /nfs/dbraw/zinc/29/32/44/326293244.db2.gz GUDFPHFMHQCXBF-SNVBAGLBSA-N 1 2 227.283 1.700 20 0 BDADLO Cc1ccncc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000568190134 326323732 /nfs/dbraw/zinc/32/37/32/326323732.db2.gz AODXVNGQKFRVNN-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568192827 326323907 /nfs/dbraw/zinc/32/39/07/326323907.db2.gz WBHZKAQYRJFRMT-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568192827 326323908 /nfs/dbraw/zinc/32/39/08/326323908.db2.gz WBHZKAQYRJFRMT-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@@]2(C)CCCO2)C1 ZINC000568196670 326324904 /nfs/dbraw/zinc/32/49/04/326324904.db2.gz JPCWYASUQOKJOY-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ccoc1 ZINC000568334617 326345443 /nfs/dbraw/zinc/34/54/43/326345443.db2.gz CGAVRGIYHFPVJE-UHFFFAOYSA-N 1 2 203.245 1.720 20 0 BDADLO C[C@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@H]1F ZINC000568382625 326351867 /nfs/dbraw/zinc/35/18/67/326351867.db2.gz FCSFNQCMOOKBQI-PWSUYJOCSA-N 1 2 239.294 1.528 20 0 BDADLO Cc1ncc(NC(=O)C[C@H](C)n2cc[nH+]c2)cn1 ZINC000568400814 326354885 /nfs/dbraw/zinc/35/48/85/326354885.db2.gz QGDXVQJOKBSHSC-VIFPVBQESA-N 1 2 245.286 1.571 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](CC2CC2)C1 ZINC000568531627 326364062 /nfs/dbraw/zinc/36/40/62/326364062.db2.gz IRLQXSRUUNXZKI-JTQLQIEISA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](CC2CC2)C1 ZINC000568531627 326364065 /nfs/dbraw/zinc/36/40/65/326364065.db2.gz IRLQXSRUUNXZKI-JTQLQIEISA-N 1 2 248.330 1.694 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000568606877 326366865 /nfs/dbraw/zinc/36/68/65/326366865.db2.gz QTKMERSENVBKLS-OUAUKWLOSA-N 1 2 235.331 1.466 20 0 BDADLO OCC1(C[NH2+]Cc2ccn[nH]2)CC2(CCC2)C1 ZINC000568712454 326373119 /nfs/dbraw/zinc/37/31/19/326373119.db2.gz YLTLCWIPSSSOOC-UHFFFAOYSA-N 1 2 235.331 1.442 20 0 BDADLO CCC[C@@H](C)[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000568771184 326376710 /nfs/dbraw/zinc/37/67/10/326376710.db2.gz KYTKHAOHISGDNA-PWSUYJOCSA-N 1 2 249.358 1.985 20 0 BDADLO C[C@@H]1CC[C@H]1[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000568874379 326380604 /nfs/dbraw/zinc/38/06/04/326380604.db2.gz OOUIBGIJZFUGNE-JLLWLGSASA-N 1 2 243.314 1.677 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1CC12CC2)n1cc[nH+]c1 ZINC000569108085 326390789 /nfs/dbraw/zinc/39/07/89/326390789.db2.gz JLFQOVUKUWKWEQ-WDEREUQCSA-N 1 2 233.315 1.751 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2cccnc2)C1 ZINC000569115890 326391301 /nfs/dbraw/zinc/39/13/01/326391301.db2.gz CBTFVXYVVLASEN-UHFFFAOYSA-N 1 2 219.288 1.362 20 0 BDADLO COc1ccc(C)nc1NC(=O)Cn1cc[nH+]c1 ZINC000569167583 326393457 /nfs/dbraw/zinc/39/34/57/326393457.db2.gz UOUQJULUHROVAM-UHFFFAOYSA-N 1 2 246.270 1.234 20 0 BDADLO CCn1ccnc1NC(=O)CCCn1cc[nH+]c1 ZINC000665670821 487974582 /nfs/dbraw/zinc/97/45/82/487974582.db2.gz AWFDTJCLIYMGSR-UHFFFAOYSA-N 1 2 247.302 1.518 20 0 BDADLO O[C@@H]1C[N@H+](CCC2CC2)CC(F)(F)C1 ZINC000682543695 487982431 /nfs/dbraw/zinc/98/24/31/487982431.db2.gz JXYIGYFIFRWAHU-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO O[C@@H]1C[N@@H+](CCC2CC2)CC(F)(F)C1 ZINC000682543695 487982435 /nfs/dbraw/zinc/98/24/35/487982435.db2.gz JXYIGYFIFRWAHU-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccc(N)n1)c1ccccn1 ZINC000653612229 487982387 /nfs/dbraw/zinc/98/23/87/487982387.db2.gz FAFZCMPGESUSEX-NXEZZACHSA-N 1 2 243.314 1.866 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000677143042 487983149 /nfs/dbraw/zinc/98/31/49/487983149.db2.gz ISIIPBAAAXJDGG-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CCc1noc(C[N@@H+]2CCCO[C@@H](CC)C2)n1 ZINC000685007355 487990414 /nfs/dbraw/zinc/99/04/14/487990414.db2.gz LOIPLDJCDKQJPW-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+]2CCCO[C@@H](CC)C2)n1 ZINC000685007355 487990423 /nfs/dbraw/zinc/99/04/23/487990423.db2.gz LOIPLDJCDKQJPW-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2nc[nH+]c3c2OCCN3)C1 ZINC000665702329 487992882 /nfs/dbraw/zinc/99/28/82/487992882.db2.gz XFBSWUWJEYGEAX-RKDXNWHRSA-N 1 2 234.303 1.516 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2[nH+]cnc3c2OCCN3)C1 ZINC000665702329 487992888 /nfs/dbraw/zinc/99/28/88/487992888.db2.gz XFBSWUWJEYGEAX-RKDXNWHRSA-N 1 2 234.303 1.516 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668603345 487995695 /nfs/dbraw/zinc/99/56/95/487995695.db2.gz DACQRLJIRWSUGA-BRPSZJMVSA-N 1 2 205.261 1.072 20 0 BDADLO CCN1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000677195112 487999186 /nfs/dbraw/zinc/99/91/86/487999186.db2.gz LXYDEIPCMQYBDN-SNVBAGLBSA-N 1 2 239.388 1.978 20 0 BDADLO CCN1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000677195112 487999193 /nfs/dbraw/zinc/99/91/93/487999193.db2.gz LXYDEIPCMQYBDN-SNVBAGLBSA-N 1 2 239.388 1.978 20 0 BDADLO OC[C@@H](CC1CC1)Nc1cc[nH+]c2ccncc12 ZINC000677236562 488004397 /nfs/dbraw/zinc/00/43/97/488004397.db2.gz GGBDJWHXAKMVGY-LLVKDONJSA-N 1 2 243.310 1.625 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2CCc3ccccc3C2)C1=O ZINC000682676348 488011699 /nfs/dbraw/zinc/01/16/99/488011699.db2.gz ZAHACQASPVMZBI-CYBMUJFWSA-N 1 2 246.310 1.207 20 0 BDADLO CCN1OC[C@@H]([N@H+]2CCc3ccccc3C2)C1=O ZINC000682676348 488011703 /nfs/dbraw/zinc/01/17/03/488011703.db2.gz ZAHACQASPVMZBI-CYBMUJFWSA-N 1 2 246.310 1.207 20 0 BDADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cn1 ZINC000644838304 488016805 /nfs/dbraw/zinc/01/68/05/488016805.db2.gz RUOXJEYIECZJCT-QWHCGFSZSA-N 1 2 247.342 1.511 20 0 BDADLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cn1 ZINC000644838304 488016809 /nfs/dbraw/zinc/01/68/09/488016809.db2.gz RUOXJEYIECZJCT-QWHCGFSZSA-N 1 2 247.342 1.511 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCC1 ZINC000677339389 488018911 /nfs/dbraw/zinc/01/89/11/488018911.db2.gz VQXLKBIVPBYHOD-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO C=C/C(C)=C/CC(=O)NCCCn1cc[nH+]c1 ZINC000682692258 488018959 /nfs/dbraw/zinc/01/89/59/488018959.db2.gz CZBDFSVWIWVEIY-LFYBBSHMSA-N 1 2 233.315 1.912 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)C2CCC2)c[nH+]1 ZINC000677342810 488023240 /nfs/dbraw/zinc/02/32/40/488023240.db2.gz CJLZLKFMZZZSPW-SSDOTTSWSA-N 1 2 207.277 1.637 20 0 BDADLO c1[nH+]c2n(c1CN1CCSCC1)CCC2 ZINC000667494647 488026491 /nfs/dbraw/zinc/02/64/91/488026491.db2.gz GBLFLUYNZOZYTJ-UHFFFAOYSA-N 1 2 223.345 1.378 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](C2CCC2)C1 ZINC000666077602 488029711 /nfs/dbraw/zinc/02/97/11/488029711.db2.gz ZRZXKKWRFJRBHF-LBPRGKRZSA-N 1 2 233.315 1.532 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000682760086 488031893 /nfs/dbraw/zinc/03/18/93/488031893.db2.gz NVSUXRRGYPSNPM-VXGBXAGGSA-N 1 2 239.315 1.814 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000682760086 488031895 /nfs/dbraw/zinc/03/18/95/488031895.db2.gz NVSUXRRGYPSNPM-VXGBXAGGSA-N 1 2 239.315 1.814 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000669163096 488033319 /nfs/dbraw/zinc/03/33/19/488033319.db2.gz HKMLAFHITRYIMX-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)CO1 ZINC000667517939 488036766 /nfs/dbraw/zinc/03/67/66/488036766.db2.gz JWKFIRBXSBRSBB-QWRGUYRKSA-N 1 2 235.331 1.439 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667532662 488040055 /nfs/dbraw/zinc/04/00/55/488040055.db2.gz UWPUNXPMEDKSJN-LBPRGKRZSA-N 1 2 235.331 1.440 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667532662 488040057 /nfs/dbraw/zinc/04/00/57/488040057.db2.gz UWPUNXPMEDKSJN-LBPRGKRZSA-N 1 2 235.331 1.440 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1CC1(C)C ZINC000670076047 488050772 /nfs/dbraw/zinc/05/07/72/488050772.db2.gz PVSBCDUPJXTWJH-LLVKDONJSA-N 1 2 248.330 1.490 20 0 BDADLO CN(Cc1c[nH+]c2n1CCC2)[C@@H]1CCOC1 ZINC000667597290 488056139 /nfs/dbraw/zinc/05/61/39/488056139.db2.gz IPADPFJYQVOUHL-SNVBAGLBSA-N 1 2 221.304 1.050 20 0 BDADLO Nc1c(F)cccc1C[NH2+]CC(F)F ZINC000147872886 488061898 /nfs/dbraw/zinc/06/18/98/488061898.db2.gz SPVSKYPSGWSKNS-UHFFFAOYSA-N 1 2 204.195 1.763 20 0 BDADLO CC(C)=CCNC(=O)CCCn1cc[nH+]c1 ZINC000682952749 488071669 /nfs/dbraw/zinc/07/16/69/488071669.db2.gz DGKFMNWQONRWFO-UHFFFAOYSA-N 1 2 221.304 1.746 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)CCCCO ZINC000092171330 488084028 /nfs/dbraw/zinc/08/40/28/488084028.db2.gz RLLSVANOHGSTDM-UHFFFAOYSA-N 1 2 237.303 1.249 20 0 BDADLO CC[C@@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)C[C@H]1O ZINC000677651066 488088950 /nfs/dbraw/zinc/08/89/50/488088950.db2.gz WBGSMIVRYYQXEK-MWLCHTKSSA-N 1 2 246.314 1.473 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccn1 ZINC000683011194 488090482 /nfs/dbraw/zinc/09/04/82/488090482.db2.gz NXJOSCOZORDMCO-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccn1 ZINC000683011194 488090485 /nfs/dbraw/zinc/09/04/85/488090485.db2.gz NXJOSCOZORDMCO-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)ccn2)[C@H](C)C1 ZINC000683013073 488092567 /nfs/dbraw/zinc/09/25/67/488092567.db2.gz CZPHVVSAIXSYQO-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)ccn2)[C@H](C)C1 ZINC000683013073 488092574 /nfs/dbraw/zinc/09/25/74/488092574.db2.gz CZPHVVSAIXSYQO-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccnc(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000683016951 488093175 /nfs/dbraw/zinc/09/31/75/488093175.db2.gz HGPRSYQVEQJCSL-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccnc(C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000683016951 488093177 /nfs/dbraw/zinc/09/31/77/488093177.db2.gz HGPRSYQVEQJCSL-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000683019907 488096681 /nfs/dbraw/zinc/09/66/81/488096681.db2.gz XDLHBLZPBHHCQV-QMMMGPOBSA-N 1 2 213.231 1.564 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000683019907 488096682 /nfs/dbraw/zinc/09/66/82/488096682.db2.gz XDLHBLZPBHHCQV-QMMMGPOBSA-N 1 2 213.231 1.564 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC=CCC1 ZINC000683022435 488098051 /nfs/dbraw/zinc/09/80/51/488098051.db2.gz UUEKEZYCWBEDQE-VIFPVBQESA-N 1 2 219.292 1.331 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC=CCC1 ZINC000683022435 488098055 /nfs/dbraw/zinc/09/80/55/488098055.db2.gz UUEKEZYCWBEDQE-VIFPVBQESA-N 1 2 219.292 1.331 20 0 BDADLO COCC1([N@H+](C)Cc2nnc(C3CC3)o2)CC1 ZINC000677729168 488106958 /nfs/dbraw/zinc/10/69/58/488106958.db2.gz ZHWZGQYEBXTAEX-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO COCC1([N@@H+](C)Cc2nnc(C3CC3)o2)CC1 ZINC000677729168 488106963 /nfs/dbraw/zinc/10/69/63/488106963.db2.gz ZHWZGQYEBXTAEX-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO CCc1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000674066798 488111555 /nfs/dbraw/zinc/11/15/55/488111555.db2.gz AGJKTNKYRMGVHL-UHFFFAOYSA-N 1 2 217.276 1.399 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668687883 488116201 /nfs/dbraw/zinc/11/62/01/488116201.db2.gz HPUWPDFFKGAHAN-ITGUQSILSA-N 1 2 247.342 1.826 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667771404 488116821 /nfs/dbraw/zinc/11/68/21/488116821.db2.gz ZXNINEPPVOICBO-SSDOTTSWSA-N 1 2 232.243 1.141 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667771404 488116823 /nfs/dbraw/zinc/11/68/23/488116823.db2.gz ZXNINEPPVOICBO-SSDOTTSWSA-N 1 2 232.243 1.141 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000677803047 488125943 /nfs/dbraw/zinc/12/59/43/488125943.db2.gz XARRFPQJERSOOA-SECBINFHSA-N 1 2 238.335 1.145 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)[C@@H](C(N)=O)c1ccccc1 ZINC000677803077 488126008 /nfs/dbraw/zinc/12/60/08/488126008.db2.gz YFIRKFBUCQZYFC-GFCCVEGCSA-N 1 2 244.298 1.068 20 0 BDADLO O=C(CCc1cccnc1)NCCn1cc[nH+]c1 ZINC000041979558 488128525 /nfs/dbraw/zinc/12/85/25/488128525.db2.gz IDFJYMSQKNMYDZ-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000685569661 487541845 /nfs/dbraw/zinc/54/18/45/487541845.db2.gz NQNRUIYYFNQWIR-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000685569661 487541851 /nfs/dbraw/zinc/54/18/51/487541851.db2.gz NQNRUIYYFNQWIR-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000334726693 487545635 /nfs/dbraw/zinc/54/56/35/487545635.db2.gz RMCNGHOJJKEQDA-SNVBAGLBSA-N 1 2 233.315 1.783 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)s1 ZINC000668792132 487546110 /nfs/dbraw/zinc/54/61/10/487546110.db2.gz MUCZUNLMJSJRKD-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)s1 ZINC000668792132 487546114 /nfs/dbraw/zinc/54/61/14/487546114.db2.gz MUCZUNLMJSJRKD-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1oc(C)nc1C ZINC000685565400 487547397 /nfs/dbraw/zinc/54/73/97/487547397.db2.gz XPQXOCKXDXPBEV-JTQLQIEISA-N 1 2 237.303 1.002 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1oc(C)nc1C ZINC000685565400 487547399 /nfs/dbraw/zinc/54/73/99/487547399.db2.gz XPQXOCKXDXPBEV-JTQLQIEISA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000685566926 487548009 /nfs/dbraw/zinc/54/80/09/487548009.db2.gz QTSQUYDTMNNMGO-ZJUUUORDSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000685566926 487548015 /nfs/dbraw/zinc/54/80/15/487548015.db2.gz QTSQUYDTMNNMGO-ZJUUUORDSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000685570290 487551550 /nfs/dbraw/zinc/55/15/50/487551550.db2.gz BHPQLZDNVKOXBU-LLVKDONJSA-N 1 2 249.314 1.098 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000685570290 487551554 /nfs/dbraw/zinc/55/15/54/487551554.db2.gz BHPQLZDNVKOXBU-LLVKDONJSA-N 1 2 249.314 1.098 20 0 BDADLO Cc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)on1 ZINC000680254942 487553439 /nfs/dbraw/zinc/55/34/39/487553439.db2.gz HAYXRJGCWQHEQL-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000685573136 487553579 /nfs/dbraw/zinc/55/35/79/487553579.db2.gz HQWGEWXSWUVEBQ-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000685573136 487553581 /nfs/dbraw/zinc/55/35/81/487553581.db2.gz HQWGEWXSWUVEBQ-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO CCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000612035701 487531978 /nfs/dbraw/zinc/53/19/78/487531978.db2.gz WYXFTELGPYRMMJ-GHMZBOCLSA-N 1 2 247.342 1.830 20 0 BDADLO FC(F)CC1C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668251367 487556827 /nfs/dbraw/zinc/55/68/27/487556827.db2.gz XAHLVGVILHBMHW-UHFFFAOYSA-N 1 2 241.285 1.916 20 0 BDADLO FC(F)c1nnc2n1CC[N@@H+](CC1(F)CC1)C2 ZINC000668798374 487556906 /nfs/dbraw/zinc/55/69/06/487556906.db2.gz LKCITUXDJGJHKK-UHFFFAOYSA-N 1 2 246.236 1.533 20 0 BDADLO FC(F)c1nnc2n1CC[N@H+](CC1(F)CC1)C2 ZINC000668798374 487556913 /nfs/dbraw/zinc/55/69/13/487556913.db2.gz LKCITUXDJGJHKK-UHFFFAOYSA-N 1 2 246.236 1.533 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC13CCC3)CC2 ZINC000679893558 487481723 /nfs/dbraw/zinc/48/17/23/487481723.db2.gz QYDWABWYRQZPIC-LLVKDONJSA-N 1 2 245.326 1.724 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cnn(C)c1C)CC2 ZINC000679869991 487477774 /nfs/dbraw/zinc/47/77/74/487477774.db2.gz TXRVLQROBWYIGC-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cnn(C)c1C)CC2 ZINC000679869991 487477778 /nfs/dbraw/zinc/47/77/78/487477778.db2.gz TXRVLQROBWYIGC-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO O=C(C1CC2(CC2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000668758659 487490874 /nfs/dbraw/zinc/49/08/74/487490874.db2.gz DGEULZRQYBHYCL-UHFFFAOYSA-N 1 2 231.299 1.457 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)N(C)Cc1[nH]cc[nH+]1 ZINC000677801844 487495348 /nfs/dbraw/zinc/49/53/48/487495348.db2.gz JUSSSSQMCBGYLE-QMMMGPOBSA-N 1 2 247.302 1.863 20 0 BDADLO Cn1cc(C[NH2+]Cc2nc3c(s2)CCC3)nn1 ZINC000679932465 487495987 /nfs/dbraw/zinc/49/59/87/487495987.db2.gz GCRLWAZPXVBZJK-UHFFFAOYSA-N 1 2 249.343 1.050 20 0 BDADLO CCn1nncc1C[NH2+]C1(C(F)F)CCCC1 ZINC000669568798 487501025 /nfs/dbraw/zinc/50/10/25/487501025.db2.gz LKJHXDUSXLSJBF-UHFFFAOYSA-N 1 2 244.289 1.966 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cn(C)nc1C)CC2 ZINC000680001521 487512888 /nfs/dbraw/zinc/51/28/88/487512888.db2.gz ZRBSABMICGEBDX-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cn(C)nc1C)CC2 ZINC000680001521 487512890 /nfs/dbraw/zinc/51/28/90/487512890.db2.gz ZRBSABMICGEBDX-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)ccn1 ZINC000677818614 487513127 /nfs/dbraw/zinc/51/31/27/487513127.db2.gz DGSQTJXNZOOOMH-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)ccn1 ZINC000677818614 487513131 /nfs/dbraw/zinc/51/31/31/487513131.db2.gz DGSQTJXNZOOOMH-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668704526 488142122 /nfs/dbraw/zinc/14/21/22/488142122.db2.gz DIIUHNHMFMTXCY-PWSUYJOCSA-N 1 2 221.304 1.186 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668704526 488142127 /nfs/dbraw/zinc/14/21/27/488142127.db2.gz DIIUHNHMFMTXCY-PWSUYJOCSA-N 1 2 221.304 1.186 20 0 BDADLO c1noc([C@@H]2COCC[N@H+]2CC2CCCC2)n1 ZINC000685416035 487517228 /nfs/dbraw/zinc/51/72/28/487517228.db2.gz YRZRMMQTKWVMCJ-NSHDSACASA-N 1 2 237.303 1.633 20 0 BDADLO c1noc([C@@H]2COCC[N@@H+]2CC2CCCC2)n1 ZINC000685416035 487517231 /nfs/dbraw/zinc/51/72/31/487517231.db2.gz YRZRMMQTKWVMCJ-NSHDSACASA-N 1 2 237.303 1.633 20 0 BDADLO C[N@H+](CCO[C@H]1CCCCO1)Cc1ncc[nH]1 ZINC000685412280 487517555 /nfs/dbraw/zinc/51/75/55/487517555.db2.gz ZBKKPKIVVGXWLR-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@H]1CCCCO1)Cc1ncc[nH]1 ZINC000685412280 487517558 /nfs/dbraw/zinc/51/75/58/487517558.db2.gz ZBKKPKIVVGXWLR-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000685449237 487524317 /nfs/dbraw/zinc/52/43/17/487524317.db2.gz TYBJHGAJEOZIAQ-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000685449237 487524321 /nfs/dbraw/zinc/52/43/21/487524321.db2.gz TYBJHGAJEOZIAQ-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1Cc2ccccc21)c1[nH]cc[nH+]1 ZINC000141045642 487570822 /nfs/dbraw/zinc/57/08/22/487570822.db2.gz TYEATLOTVGHTOO-BXKDBHETSA-N 1 2 241.294 1.927 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000309869282 487728463 /nfs/dbraw/zinc/72/84/63/487728463.db2.gz PXPQYCFLIWNFID-MRVPVSSYSA-N 1 2 237.225 1.121 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cocn1 ZINC000675573598 487750121 /nfs/dbraw/zinc/75/01/21/487750121.db2.gz RYBARGOPGITFEG-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO c1nc(CC[NH2+]Cc2[nH]nc3ccccc32)n[nH]1 ZINC000675641802 487758459 /nfs/dbraw/zinc/75/84/59/487758459.db2.gz LAFIEBFFFYNNBA-UHFFFAOYSA-N 1 2 242.286 1.013 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)C[C@@H](O)C1CC1 ZINC000681404725 487789739 /nfs/dbraw/zinc/78/97/39/487789739.db2.gz WEZSNOYEHRKLLU-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)C[C@@H](O)C1CC1 ZINC000681404725 487789744 /nfs/dbraw/zinc/78/97/44/487789744.db2.gz WEZSNOYEHRKLLU-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC2(CC(F)C2)C1 ZINC000677124326 487976135 /nfs/dbraw/zinc/97/61/35/487976135.db2.gz CBEWTNOEDZULNB-UHFFFAOYSA-N 1 2 247.277 1.302 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000677122918 487976328 /nfs/dbraw/zinc/97/63/28/487976328.db2.gz WZNDFZMNXWZERG-LLVKDONJSA-N 1 2 247.342 1.560 20 0 BDADLO O=C(Nc1cc[nH]n1)Nc1ccc2[nH+]ccn2c1 ZINC000683162146 488122601 /nfs/dbraw/zinc/12/26/01/488122601.db2.gz HFPILMXXYUYCAM-UHFFFAOYSA-N 1 2 242.242 1.701 20 0 BDADLO CCOCC[N@H+](CC)[C@H](C)c1nc(C)no1 ZINC000677890574 488149841 /nfs/dbraw/zinc/14/98/41/488149841.db2.gz ZLXVAKORYMZMEV-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO CCOCC[N@@H+](CC)[C@H](C)c1nc(C)no1 ZINC000677890574 488149846 /nfs/dbraw/zinc/14/98/46/488149846.db2.gz ZLXVAKORYMZMEV-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC12CCC2 ZINC000677922164 488157131 /nfs/dbraw/zinc/15/71/31/488157131.db2.gz UPUBLEISCWHBAF-UWVGGRQHSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC12CCC2 ZINC000677922164 488157135 /nfs/dbraw/zinc/15/71/35/488157135.db2.gz UPUBLEISCWHBAF-UWVGGRQHSA-N 1 2 245.326 1.573 20 0 BDADLO CCc1cc(N[C@H]2CCC[C@H]2C(=O)NC)nc[nH+]1 ZINC000677956733 488165599 /nfs/dbraw/zinc/16/55/99/488165599.db2.gz BKCLZPJLQYKYTA-MNOVXSKESA-N 1 2 248.330 1.366 20 0 BDADLO CC(C)[NH+]1CCN(C(=O)c2nccs2)CC1 ZINC000683534860 488189299 /nfs/dbraw/zinc/18/92/99/488189299.db2.gz AZMHWZFNDSPHMS-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c(C3CC3)cnn2C)o1 ZINC000668027873 488189315 /nfs/dbraw/zinc/18/93/15/488189315.db2.gz SKVLBLZLFXSAOS-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000668029710 488190142 /nfs/dbraw/zinc/19/01/42/488190142.db2.gz OMSBBFUOFAYHJV-NWDGAFQWSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1nccs1 ZINC000683566270 488197379 /nfs/dbraw/zinc/19/73/79/488197379.db2.gz REUVBFCMFVEZTF-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1nccs1 ZINC000683566270 488197383 /nfs/dbraw/zinc/19/73/83/488197383.db2.gz REUVBFCMFVEZTF-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1cc(NC(=O)NC2CCOCC2)c(C)c[nH+]1 ZINC000678098783 488198360 /nfs/dbraw/zinc/19/83/60/488198360.db2.gz QZLAACZIQMKUPA-UHFFFAOYSA-N 1 2 249.314 1.421 20 0 BDADLO C([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1noc(C2CC2)n1 ZINC000668096758 488202215 /nfs/dbraw/zinc/20/22/15/488202215.db2.gz PUFNBEUDRFWUJJ-GHMZBOCLSA-N 1 2 249.314 1.604 20 0 BDADLO CC1CCN(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000085968781 488221626 /nfs/dbraw/zinc/22/16/26/488221626.db2.gz RUCSWQTVRSMZRA-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CC1CCN(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000085968781 488221630 /nfs/dbraw/zinc/22/16/30/488221630.db2.gz RUCSWQTVRSMZRA-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CC(C)n1cc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000678265857 488230205 /nfs/dbraw/zinc/23/02/05/488230205.db2.gz AJRNMMQICOMHQP-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000678265857 488230207 /nfs/dbraw/zinc/23/02/07/488230207.db2.gz AJRNMMQICOMHQP-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOC(C)(C)C ZINC000678283511 488237246 /nfs/dbraw/zinc/23/72/46/488237246.db2.gz DZQWRBIVJBLRNY-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]ccn2C)sn1 ZINC000683888982 488237728 /nfs/dbraw/zinc/23/77/28/488237728.db2.gz PVJMMTWJUYOCBX-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccco1 ZINC000672146091 488240897 /nfs/dbraw/zinc/24/08/97/488240897.db2.gz BLZHEFDFOMTXOH-VIFPVBQESA-N 1 2 231.255 1.221 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149078 488241928 /nfs/dbraw/zinc/24/19/28/488241928.db2.gz FGZVIOQMEDRBML-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000672151126 488241996 /nfs/dbraw/zinc/24/19/96/488241996.db2.gz MOAQRJZZNRAUBA-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO CC(C)CCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672154700 488242445 /nfs/dbraw/zinc/24/24/45/488242445.db2.gz QKYGMAHXYFXMCR-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO CCc1nc(N2CCCOC[C@H]2C)cc(C)[nH+]1 ZINC000672240858 488247089 /nfs/dbraw/zinc/24/70/89/488247089.db2.gz VOGXMOGOWHQUPL-LLVKDONJSA-N 1 2 235.331 1.963 20 0 BDADLO CC1(C)CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000683939230 488248256 /nfs/dbraw/zinc/24/82/56/488248256.db2.gz LKNHRCXZSCTKOE-UHFFFAOYSA-N 1 2 229.287 1.509 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC2(CCC2)CC1 ZINC000672254385 488248552 /nfs/dbraw/zinc/24/85/52/488248552.db2.gz JZKZGBZNWNTRQA-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO Cc1nc(N2CC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000683939490 488248740 /nfs/dbraw/zinc/24/87/40/488248740.db2.gz XYEVNIGMZLPHFT-UHFFFAOYSA-N 1 2 221.308 1.092 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(C)(C)C2)[nH+]1 ZINC000683939490 488248742 /nfs/dbraw/zinc/24/87/42/488248742.db2.gz XYEVNIGMZLPHFT-UHFFFAOYSA-N 1 2 221.308 1.092 20 0 BDADLO Cc1ccncc1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000678416359 488253257 /nfs/dbraw/zinc/25/32/57/488253257.db2.gz MIVOXDFLHPZTPC-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO CC1(C)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000683993348 488253626 /nfs/dbraw/zinc/25/36/26/488253626.db2.gz FXIDXUNEDWLHNF-SNVBAGLBSA-N 1 2 248.330 1.249 20 0 BDADLO CCc1noc(C[N@H+](C)CCc2cnccn2)n1 ZINC000678468364 488257683 /nfs/dbraw/zinc/25/76/83/488257683.db2.gz WMRDBBDUGLWYCU-UHFFFAOYSA-N 1 2 247.302 1.097 20 0 BDADLO CCc1noc(C[N@@H+](C)CCc2cnccn2)n1 ZINC000678468364 488257687 /nfs/dbraw/zinc/25/76/87/488257687.db2.gz WMRDBBDUGLWYCU-UHFFFAOYSA-N 1 2 247.302 1.097 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000684084473 488262972 /nfs/dbraw/zinc/26/29/72/488262972.db2.gz VPAGMIGGNSRLQP-SNVBAGLBSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC=CCC2)n1 ZINC000684094620 488265872 /nfs/dbraw/zinc/26/58/72/488265872.db2.gz MWCXUKKOMFORQH-JTQLQIEISA-N 1 2 219.288 1.814 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccsc1 ZINC000678593004 488269333 /nfs/dbraw/zinc/26/93/33/488269333.db2.gz KOYGUEUWSLBOKI-QMMMGPOBSA-N 1 2 249.343 1.920 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000672950647 488269962 /nfs/dbraw/zinc/26/99/62/488269962.db2.gz MXCSHALSDYSXOQ-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO CC(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000673035532 488271890 /nfs/dbraw/zinc/27/18/90/488271890.db2.gz NVICBKHSWRIBRT-UHFFFAOYSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1F ZINC000673057429 488272534 /nfs/dbraw/zinc/27/25/34/488272534.db2.gz YWHQQZUGKRKOLH-ZJUUUORDSA-N 1 2 239.294 1.549 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](CCO)C2)s1 ZINC000678623507 488273238 /nfs/dbraw/zinc/27/32/38/488273238.db2.gz HMYIPYALSAKVQV-SNVBAGLBSA-N 1 2 241.360 1.441 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000673080981 488275530 /nfs/dbraw/zinc/27/55/30/488275530.db2.gz YJDGHFDCZZGCFE-OUAUKWLOSA-N 1 2 248.330 1.707 20 0 BDADLO CC(C)(NC(=O)Cn1cc[nH+]c1)C(F)F ZINC000684340128 488288969 /nfs/dbraw/zinc/28/89/69/488288969.db2.gz JVKCCKZLNNKEOB-UHFFFAOYSA-N 1 2 217.219 1.043 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3c(c2)COC3)no1 ZINC000678935008 488296262 /nfs/dbraw/zinc/29/62/62/488296262.db2.gz AQNFCVZCHNMCDW-UHFFFAOYSA-N 1 2 230.267 1.995 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)[nH]1 ZINC000673666574 488301473 /nfs/dbraw/zinc/30/14/73/488301473.db2.gz QHXOBACEGVHOFJ-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CC=CCC2)o1 ZINC000679323408 488336968 /nfs/dbraw/zinc/33/69/68/488336968.db2.gz OWROTWIKJUIEEI-SECBINFHSA-N 1 2 207.277 1.955 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CC=CCC2)o1 ZINC000679323408 488336970 /nfs/dbraw/zinc/33/69/70/488336970.db2.gz OWROTWIKJUIEEI-SECBINFHSA-N 1 2 207.277 1.955 20 0 BDADLO COC[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(C)o1 ZINC000673812015 488308099 /nfs/dbraw/zinc/30/80/99/488308099.db2.gz UADQWAPMBFYPJS-NSHDSACASA-N 1 2 235.287 1.788 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1F ZINC000679219589 488318835 /nfs/dbraw/zinc/31/88/35/488318835.db2.gz DONFLHSHTBNGGV-KOLCDFICSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1F ZINC000679219589 488318837 /nfs/dbraw/zinc/31/88/37/488318837.db2.gz DONFLHSHTBNGGV-KOLCDFICSA-N 1 2 228.311 1.193 20 0 BDADLO CC(C)(NC(=O)CCc1c[nH+]c[nH]1)C(F)F ZINC000684497041 488322352 /nfs/dbraw/zinc/32/23/52/488322352.db2.gz MTPGZFCFUJSUBK-UHFFFAOYSA-N 1 2 231.246 1.502 20 0 BDADLO CC(C)(NC(=O)CCc1c[nH]c[nH+]1)C(F)F ZINC000684497041 488322354 /nfs/dbraw/zinc/32/23/54/488322354.db2.gz MTPGZFCFUJSUBK-UHFFFAOYSA-N 1 2 231.246 1.502 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)nn1C ZINC000679226858 488322482 /nfs/dbraw/zinc/32/24/82/488322482.db2.gz VVLRLNWQOFMTGP-JOYOIKCWSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)nn1C ZINC000679226858 488322483 /nfs/dbraw/zinc/32/24/83/488322483.db2.gz VVLRLNWQOFMTGP-JOYOIKCWSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(C(F)F)C2)[nH+]1 ZINC000684577719 488328616 /nfs/dbraw/zinc/32/86/16/488328616.db2.gz DCWTXMSQFDGQKN-UHFFFAOYSA-N 1 2 238.241 1.968 20 0 BDADLO CC1(F)C[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000684607526 488331211 /nfs/dbraw/zinc/33/12/11/488331211.db2.gz JEBMPESLVBFCMG-NSHDSACASA-N 1 2 215.312 1.971 20 0 BDADLO Cc1nccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000684619799 488334128 /nfs/dbraw/zinc/33/41/28/488334128.db2.gz PKDZGTZUQKVFAV-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000684619799 488334129 /nfs/dbraw/zinc/33/41/29/488334129.db2.gz PKDZGTZUQKVFAV-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2ccon2)C1 ZINC000684669585 488337917 /nfs/dbraw/zinc/33/79/17/488337917.db2.gz WEZNRQIOSOFCFB-VIFPVBQESA-N 1 2 235.287 1.511 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000684669585 488337920 /nfs/dbraw/zinc/33/79/20/488337920.db2.gz WEZNRQIOSOFCFB-VIFPVBQESA-N 1 2 235.287 1.511 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CC1 ZINC000684675608 488338268 /nfs/dbraw/zinc/33/82/68/488338268.db2.gz ZHQKAWIFHUDOSA-NWDGAFQWSA-N 1 2 233.315 1.578 20 0 BDADLO Cc1nc(NCCOC[C@@H]2CCOC2)cc[nH+]1 ZINC000608085624 490101849 /nfs/dbraw/zinc/10/18/49/490101849.db2.gz BSWVZSLFEXNFCM-LLVKDONJSA-N 1 2 237.303 1.250 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000653887911 490154565 /nfs/dbraw/zinc/15/45/65/490154565.db2.gz ALYCCXMLWOBKAE-SECBINFHSA-N 1 2 213.281 1.235 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000653887911 490154569 /nfs/dbraw/zinc/15/45/69/490154569.db2.gz ALYCCXMLWOBKAE-SECBINFHSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2ccncc2C)n1 ZINC000653888297 490155099 /nfs/dbraw/zinc/15/50/99/490155099.db2.gz MAKMOVHZRRETTQ-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2ccncc2C)n1 ZINC000653888297 490155105 /nfs/dbraw/zinc/15/51/05/490155105.db2.gz MAKMOVHZRRETTQ-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO CCN1CC[N@H+](Cc2nc(C)ccc2O)C[C@@H]1C ZINC000211384394 490200881 /nfs/dbraw/zinc/20/08/81/490200881.db2.gz WRSKICOSGVVKLV-LBPRGKRZSA-N 1 2 249.358 1.622 20 0 BDADLO CCN1CC[N@@H+](Cc2nc(C)ccc2O)C[C@@H]1C ZINC000211384394 490200886 /nfs/dbraw/zinc/20/08/86/490200886.db2.gz WRSKICOSGVVKLV-LBPRGKRZSA-N 1 2 249.358 1.622 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H]2C)[nH+]1 ZINC000674336413 490214749 /nfs/dbraw/zinc/21/47/49/490214749.db2.gz GDYLQMWYZSQCDA-ZETCQYMHSA-N 1 2 202.261 1.865 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000398352588 490270140 /nfs/dbraw/zinc/27/01/40/490270140.db2.gz IYWXMCMFSMGPCG-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO c1[nH]nnc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000398352588 490270155 /nfs/dbraw/zinc/27/01/55/490270155.db2.gz IYWXMCMFSMGPCG-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO c1n[nH]nc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000398352588 490270163 /nfs/dbraw/zinc/27/01/63/490270163.db2.gz IYWXMCMFSMGPCG-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO FC1(F)C[C@H]1OCC[NH2+]Cc1csnn1 ZINC000668527631 490352130 /nfs/dbraw/zinc/35/21/30/490352130.db2.gz GXXHSUNQOQYNEV-SSDOTTSWSA-N 1 2 235.259 1.052 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cncnc2)[C@H]1C ZINC000126515013 490502292 /nfs/dbraw/zinc/50/22/92/490502292.db2.gz GYRCQHNMAURJKV-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cncnc2)[C@H]1C ZINC000126515013 490502296 /nfs/dbraw/zinc/50/22/96/490502296.db2.gz GYRCQHNMAURJKV-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO CC(C)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635055260 490522167 /nfs/dbraw/zinc/52/21/67/490522167.db2.gz SEXPQXYGJZFAPA-QMMMGPOBSA-N 1 2 249.236 1.901 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555622 490534628 /nfs/dbraw/zinc/53/46/28/490534628.db2.gz NYPVIYAWLPJDLV-DCAQKATOSA-N 1 2 233.315 1.772 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000128159288 490574325 /nfs/dbraw/zinc/57/43/25/490574325.db2.gz YPHSIUSSGXDSNO-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000128159288 490574328 /nfs/dbraw/zinc/57/43/28/490574328.db2.gz YPHSIUSSGXDSNO-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO OCC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000128376784 490577029 /nfs/dbraw/zinc/57/70/29/490577029.db2.gz KKUGYHKKXKVYEN-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OCC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000128376784 490577034 /nfs/dbraw/zinc/57/70/34/490577034.db2.gz KKUGYHKKXKVYEN-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO Cn1cc[nH+]c1CS(=O)(=O)c1cccs1 ZINC000128328648 490577881 /nfs/dbraw/zinc/57/78/81/490577881.db2.gz CVTNOGPSENORGX-UHFFFAOYSA-N 1 2 242.325 1.456 20 0 BDADLO Cc1nc(N2CCO[C@H]([C@@H]3CCCO3)C2)cc[nH+]1 ZINC000128867815 490593821 /nfs/dbraw/zinc/59/38/21/490593821.db2.gz DVMSORSGEVECNX-RYUDHWBXSA-N 1 2 249.314 1.169 20 0 BDADLO CN(C)c1nc(CNCc2[nH]cc[nH+]2)cs1 ZINC000080244994 490627399 /nfs/dbraw/zinc/62/73/99/490627399.db2.gz ILHWQURIXDWVQM-UHFFFAOYSA-N 1 2 237.332 1.222 20 0 BDADLO Cn1nnc(C[NH2+]Cc2ccc(C3CC3)cc2)n1 ZINC000398032424 490691326 /nfs/dbraw/zinc/69/13/26/490691326.db2.gz KVCAFOSIGBXULF-UHFFFAOYSA-N 1 2 243.314 1.377 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)[C@@H](C)CO1 ZINC000651404851 491059401 /nfs/dbraw/zinc/05/94/01/491059401.db2.gz FALMPGZDGQPNKI-GXSJLCMTSA-N 1 2 221.304 1.789 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000119949018 491093715 /nfs/dbraw/zinc/09/37/15/491093715.db2.gz YLCCAKASXJNLLP-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)C[C@H](C)O1 ZINC000119949018 491093716 /nfs/dbraw/zinc/09/37/16/491093716.db2.gz YLCCAKASXJNLLP-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO O=C(CCc1cccnc1)NCc1c[nH+]c[nH]1 ZINC000088753498 491108322 /nfs/dbraw/zinc/10/83/22/491108322.db2.gz LMZZBGCRFFIRHI-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(CCc1cccnc1)NCc1c[nH]c[nH+]1 ZINC000088753498 491108323 /nfs/dbraw/zinc/10/83/23/491108323.db2.gz LMZZBGCRFFIRHI-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC[C@H](Nc1cnccn1)c1[nH]cc[nH+]1 ZINC000125230324 491128859 /nfs/dbraw/zinc/12/88/59/491128859.db2.gz WAKHSOZZYLOTQK-QMMMGPOBSA-N 1 2 203.249 1.763 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ncc[nH]1 ZINC000138943146 491129691 /nfs/dbraw/zinc/12/96/91/491129691.db2.gz ZMXHMEAYYQVALD-SNVBAGLBSA-N 1 2 241.298 1.908 20 0 BDADLO CCc1cc(NCCc2ccn(C)n2)nc[nH+]1 ZINC000230878066 491130981 /nfs/dbraw/zinc/13/09/81/491130981.db2.gz GGCGNHXNTPTVTH-UHFFFAOYSA-N 1 2 231.303 1.427 20 0 BDADLO COCC[C@@]1([NH2+]CC(F)F)CCOC1 ZINC000308627605 491137520 /nfs/dbraw/zinc/13/75/20/491137520.db2.gz XHPRELZCKUQEMV-SECBINFHSA-N 1 2 209.236 1.037 20 0 BDADLO C[C@@H](C[NH+]1CC2(C1)CNC(=O)O2)c1ccccc1 ZINC000496201244 533807515 /nfs/dbraw/zinc/80/75/15/533807515.db2.gz TYKTVGRBMUDNSV-NSHDSACASA-N 1 2 246.310 1.584 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC/C=C/Cl ZINC000891202313 582628565 /nfs/dbraw/zinc/62/85/65/582628565.db2.gz MXLILGRERVAAQW-GORDUTHDSA-N 1 2 227.695 1.221 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC/C=C/Cl ZINC000891203542 582629588 /nfs/dbraw/zinc/62/95/88/582629588.db2.gz XVQRMRMWAYCIAF-DAFODLJHSA-N 1 2 213.668 1.211 20 0 BDADLO Cc1c[nH]cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000488318904 533983966 /nfs/dbraw/zinc/98/39/66/533983966.db2.gz VWJPJNQCEJXVIT-UHFFFAOYSA-N 1 2 246.314 1.682 20 0 BDADLO Cc1cc(NC[C@@H]2C[C@H]2C(C)C)nc[nH+]1 ZINC000450815386 534034222 /nfs/dbraw/zinc/03/42/22/534034222.db2.gz XZHWSNIDKDMZGB-QWRGUYRKSA-N 1 2 205.305 1.911 20 0 BDADLO C[C@H]1CSCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493068255 534062590 /nfs/dbraw/zinc/06/25/90/534062590.db2.gz CRVCITIYXJYTHJ-XADBCAIWSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@@H]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000492892932 534149048 /nfs/dbraw/zinc/14/90/48/534149048.db2.gz FRUNGNXWMBYYIT-CUTFZCDZSA-N 1 2 249.314 1.495 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900258 534198164 /nfs/dbraw/zinc/19/81/64/534198164.db2.gz UTOCNCIMYIZFGI-OCBRSHQWSA-N 1 2 205.261 1.338 20 0 BDADLO Cc1ccc(O)c(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493229569 534198415 /nfs/dbraw/zinc/19/84/15/534198415.db2.gz ZIQNTUILVKGVKD-HWKANZROSA-N 1 2 244.254 1.471 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812876 534204014 /nfs/dbraw/zinc/20/40/14/534204014.db2.gz NTOXTUVJRRSFLJ-HUAUEDMRSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H](F)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493594401 534277120 /nfs/dbraw/zinc/27/71/20/534277120.db2.gz YUUIMKINGDLTRO-UFUPEUMYSA-N 1 2 211.240 1.287 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C)[C@@H](C)O1 ZINC000493453193 534275582 /nfs/dbraw/zinc/27/55/82/534275582.db2.gz FIWSUDZLGYYCEM-VMZVSEJASA-N 1 2 249.314 1.447 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493205894 534275771 /nfs/dbraw/zinc/27/57/71/534275771.db2.gz WLKSUFDEGAQGFT-HIHHVFROSA-N 1 2 219.288 1.537 20 0 BDADLO CC(C)(C(=O)N1CCn2c[nH+]cc2C1)C(F)F ZINC000336024930 534319086 /nfs/dbraw/zinc/31/90/86/534319086.db2.gz KNSAINWBIIVNDB-UHFFFAOYSA-N 1 2 243.257 1.517 20 0 BDADLO CC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043975233 534360297 /nfs/dbraw/zinc/36/02/97/534360297.db2.gz DVVHAHBEAGKSGC-UHFFFAOYSA-N 1 2 233.315 1.434 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)CC(C)(C)O)cc2[nH+]1 ZINC000471624314 534656356 /nfs/dbraw/zinc/65/63/56/534656356.db2.gz HCPNEEDHRQFOLO-UHFFFAOYSA-N 1 2 247.298 1.971 20 0 BDADLO Cc1nc(N2CCN(CC(F)F)CC2)cc[nH+]1 ZINC000174708293 534756682 /nfs/dbraw/zinc/75/66/82/534756682.db2.gz FRSLDURFHVYEJW-UHFFFAOYSA-N 1 2 242.273 1.172 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCOC[C@@H]1C1CC1 ZINC000493639325 534787187 /nfs/dbraw/zinc/78/71/87/534787187.db2.gz CXNWFMYLCPZJIH-PGLGOXFNSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCCC[C@H]1O ZINC000493503903 534803037 /nfs/dbraw/zinc/80/30/37/534803037.db2.gz ZMIWRKDXRZENHX-UXFRKABBSA-N 1 2 249.314 1.233 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccnc1 ZINC000492824980 534803619 /nfs/dbraw/zinc/80/36/19/534803619.db2.gz RGXJDVUGGQMIMO-ARJAWSKDSA-N 1 2 228.255 1.134 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000494130942 534816148 /nfs/dbraw/zinc/81/61/48/534816148.db2.gz DMTSISRLCVZQFQ-LBPRGKRZSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000494130942 534816152 /nfs/dbraw/zinc/81/61/52/534816152.db2.gz DMTSISRLCVZQFQ-LBPRGKRZSA-N 1 2 247.298 1.108 20 0 BDADLO CC(C)(C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492893526 527665959 /nfs/dbraw/zinc/66/59/59/527665959.db2.gz GCAMFTTVYQJUHO-PLNGDYQASA-N 1 2 221.304 1.975 20 0 BDADLO CC(C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493286475 527703684 /nfs/dbraw/zinc/70/36/84/527703684.db2.gz LEQGQLILXMXXJD-WAYWQWQTSA-N 1 2 221.304 1.975 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492856292 527792981 /nfs/dbraw/zinc/79/29/81/527792981.db2.gz BNUZUNAYTVJBPT-UFFNRZRYSA-N 1 2 233.315 1.927 20 0 BDADLO CC1(C)SC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492769240 527821184 /nfs/dbraw/zinc/82/11/84/527821184.db2.gz PKXWZYSJLMAOCC-ZBJFTSOASA-N 1 2 237.328 1.433 20 0 BDADLO CCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488392148 527869127 /nfs/dbraw/zinc/86/91/27/527869127.db2.gz DJXBWBURNHHXHL-UHFFFAOYSA-N 1 2 209.297 1.092 20 0 BDADLO CCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488392148 527869133 /nfs/dbraw/zinc/86/91/33/527869133.db2.gz DJXBWBURNHHXHL-UHFFFAOYSA-N 1 2 209.297 1.092 20 0 BDADLO CCC1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493019563 527871329 /nfs/dbraw/zinc/87/13/29/527871329.db2.gz KEVIXMZEQRESBE-ARJAWSKDSA-N 1 2 205.261 1.291 20 0 BDADLO CC1(C2(NC(=O)/C=C/c3[nH]cc[nH+]3)CC2)CC1 ZINC000493166343 527901673 /nfs/dbraw/zinc/90/16/73/527901673.db2.gz YHHJLDJWGAPQOF-NSCUHMNNSA-N 1 2 231.299 1.872 20 0 BDADLO CC(C)OCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492898985 527939560 /nfs/dbraw/zinc/93/95/60/527939560.db2.gz LOIHPDCOZKAJTH-PLNGDYQASA-N 1 2 237.303 1.354 20 0 BDADLO CCN(CC(F)(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493326015 527964997 /nfs/dbraw/zinc/96/49/97/527964997.db2.gz SCJDDECNEIIIKS-ONEGZZNKSA-N 1 2 247.220 1.834 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493698688 528076473 /nfs/dbraw/zinc/07/64/73/528076473.db2.gz UNFFOBVGRDOCRP-VMDCKITASA-N 1 2 235.287 1.107 20 0 BDADLO CCOC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492822425 528403949 /nfs/dbraw/zinc/40/39/49/528403949.db2.gz JBOLKHAGIJAHEE-WAYWQWQTSA-N 1 2 237.303 1.354 20 0 BDADLO CCO/C=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000493700359 528525733 /nfs/dbraw/zinc/52/57/33/528525733.db2.gz XIKCWUIHUOJBOP-MEQVVJDKSA-N 1 2 237.303 1.186 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492856290 528691575 /nfs/dbraw/zinc/69/15/75/528691575.db2.gz BNUZUNAYTVJBPT-DLRQAJBASA-N 1 2 233.315 1.927 20 0 BDADLO CC(F)(F)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493286728 528718948 /nfs/dbraw/zinc/71/89/48/528718948.db2.gz BCCBCDOPHZYBRT-ARJAWSKDSA-N 1 2 243.257 1.975 20 0 BDADLO CCN(C[C@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493585904 528743550 /nfs/dbraw/zinc/74/35/50/528743550.db2.gz NXHZQMWFIPFGSR-FOQNGQEVSA-N 1 2 249.314 1.450 20 0 BDADLO CC(C)N(C(=O)/C=C/c1[nH]cc[nH+]1)C1COC1 ZINC000493790317 528766667 /nfs/dbraw/zinc/76/66/67/528766667.db2.gz MQRFFADJHOGTSA-ONEGZZNKSA-N 1 2 235.287 1.059 20 0 BDADLO CCC(CC)N(CC)C(=O)Cn1cc[nH+]c1 ZINC000494840310 528771416 /nfs/dbraw/zinc/77/14/16/528771416.db2.gz ZZLGQHSPUJFYND-UHFFFAOYSA-N 1 2 223.320 1.920 20 0 BDADLO CCOC[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493166600 528929060 /nfs/dbraw/zinc/92/90/60/528929060.db2.gz ZCWVLSIYPUSUBQ-PGLGOXFNSA-N 1 2 249.314 1.308 20 0 BDADLO CCC[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000492967283 528941261 /nfs/dbraw/zinc/94/12/61/528941261.db2.gz YKMSIONSYGNSEX-GZTOBOFZSA-N 1 2 237.303 1.354 20 0 BDADLO CC[C@H]1CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493457291 529239990 /nfs/dbraw/zinc/23/99/90/529239990.db2.gz RZWGNQFLPLIXJH-NWALNABHSA-N 1 2 205.261 1.434 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336189215 534925272 /nfs/dbraw/zinc/92/52/72/534925272.db2.gz ONDXDFPRJRJVEW-SECBINFHSA-N 1 2 234.303 1.207 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C(C)C)n1C ZINC000176360782 534968501 /nfs/dbraw/zinc/96/85/01/534968501.db2.gz PUOGMQTXCKHCLM-UHFFFAOYSA-N 1 2 240.351 1.141 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C(C)C)n1C ZINC000176360782 534968507 /nfs/dbraw/zinc/96/85/07/534968507.db2.gz PUOGMQTXCKHCLM-UHFFFAOYSA-N 1 2 240.351 1.141 20 0 BDADLO CC(C)[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360613399 535205012 /nfs/dbraw/zinc/20/50/12/535205012.db2.gz UBFLJJHFOPXFEF-UHFFFAOYSA-N 1 2 236.290 1.883 20 0 BDADLO CC(C)[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360613399 535205017 /nfs/dbraw/zinc/20/50/17/535205017.db2.gz UBFLJJHFOPXFEF-UHFFFAOYSA-N 1 2 236.290 1.883 20 0 BDADLO CC(C)([NH3+])CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000335146462 535208459 /nfs/dbraw/zinc/20/84/59/535208459.db2.gz QLVJYLXYTHRSQK-UHFFFAOYSA-N 1 2 244.241 1.138 20 0 BDADLO CCC1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000175907785 535247640 /nfs/dbraw/zinc/24/76/40/535247640.db2.gz NBLPSVADYXNLHU-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000175907785 535247645 /nfs/dbraw/zinc/24/76/45/535247645.db2.gz NBLPSVADYXNLHU-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000351102784 535262711 /nfs/dbraw/zinc/26/27/11/535262711.db2.gz QMWWDHRVKCZFNU-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000351102784 535262714 /nfs/dbraw/zinc/26/27/14/535262714.db2.gz QMWWDHRVKCZFNU-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC1(C)CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000335311671 535319113 /nfs/dbraw/zinc/31/91/13/535319113.db2.gz BADKFHIVTYHCQC-SECBINFHSA-N 1 2 221.304 1.852 20 0 BDADLO CC1(C)CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000335311671 535319118 /nfs/dbraw/zinc/31/91/18/535319118.db2.gz BADKFHIVTYHCQC-SECBINFHSA-N 1 2 221.304 1.852 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)C)no1)C[C@H](C)O ZINC000352220666 535389842 /nfs/dbraw/zinc/38/98/42/535389842.db2.gz IXEZRJHPHXHXHA-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@H+](Cc1nc(C(C)C)no1)C[C@H](C)O ZINC000352220666 535389845 /nfs/dbraw/zinc/38/98/45/535389845.db2.gz IXEZRJHPHXHXHA-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CCC[C@@H]1CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342797268 535437299 /nfs/dbraw/zinc/43/72/99/535437299.db2.gz OICZPYWMTSRNAV-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000248415672 535445508 /nfs/dbraw/zinc/44/55/08/535445508.db2.gz IBYQGLMTYIPIPR-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000248415672 535445513 /nfs/dbraw/zinc/44/55/13/535445513.db2.gz IBYQGLMTYIPIPR-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)c2nc(C)no2)cn1 ZINC000342427489 535613551 /nfs/dbraw/zinc/61/35/51/535613551.db2.gz ATOMUWRWEAVNSO-VIFPVBQESA-N 1 2 249.318 1.835 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000261322028 535627241 /nfs/dbraw/zinc/62/72/41/535627241.db2.gz KAYIBYRAXXQTNO-WCBMZHEXSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000261322028 535627247 /nfs/dbraw/zinc/62/72/47/535627247.db2.gz KAYIBYRAXXQTNO-WCBMZHEXSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)CCC[N@H+](C)[C@@H](C)C(=O)OCC ZINC000342747386 535632208 /nfs/dbraw/zinc/63/22/08/535632208.db2.gz HKQUPROIFUINNA-JTQLQIEISA-N 1 2 245.319 1.213 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000342747386 535632212 /nfs/dbraw/zinc/63/22/12/535632212.db2.gz HKQUPROIFUINNA-JTQLQIEISA-N 1 2 245.319 1.213 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)o1 ZINC000347962304 535858319 /nfs/dbraw/zinc/85/83/19/535858319.db2.gz DPEZZGFVCNLSQI-NXEZZACHSA-N 1 2 249.318 1.568 20 0 BDADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCC1 ZINC000335283172 535956295 /nfs/dbraw/zinc/95/62/95/535956295.db2.gz FJYGHEVAOXJUSI-UHFFFAOYSA-N 1 2 221.304 1.698 20 0 BDADLO CCc1cnc(CNc2cc(C)[nH+]cn2)o1 ZINC000221224260 536053829 /nfs/dbraw/zinc/05/38/29/536053829.db2.gz ZJHNVMMBAOKMRP-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000342575832 536064153 /nfs/dbraw/zinc/06/41/53/536064153.db2.gz RMHKDXZGYCBWLJ-SKDRFNHKSA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@H]1C[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000227013668 536172858 /nfs/dbraw/zinc/17/28/58/536172858.db2.gz IRTLCUSDIKJGQO-CBAPKCEASA-N 1 2 217.276 1.574 20 0 BDADLO COC[C@@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000223713772 536719999 /nfs/dbraw/zinc/71/99/99/536719999.db2.gz BIBTZCQFXREBIX-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO COc1ccc(O)c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080587423 536820407 /nfs/dbraw/zinc/82/04/07/536820407.db2.gz GBQZVAWLTYPDDX-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO COCCc1nc(C[N@@H+]2CCC(C)(C)C2)no1 ZINC000351515909 536834104 /nfs/dbraw/zinc/83/41/04/536834104.db2.gz DMQSYXPFMWYGJD-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO COCCc1nc(C[N@H+]2CCC(C)(C)C2)no1 ZINC000351515909 536834108 /nfs/dbraw/zinc/83/41/08/536834108.db2.gz DMQSYXPFMWYGJD-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccn(C)c2)o1 ZINC000235957370 537907629 /nfs/dbraw/zinc/90/76/29/537907629.db2.gz BWZOWMALHLCXFP-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000334230021 538060681 /nfs/dbraw/zinc/06/06/81/538060681.db2.gz RDJNSBOSOWENLS-DTORHVGOSA-N 1 2 207.277 1.352 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000334230021 538060688 /nfs/dbraw/zinc/06/06/88/538060688.db2.gz RDJNSBOSOWENLS-DTORHVGOSA-N 1 2 207.277 1.352 20 0 BDADLO CCCCCOCC(=O)NCc1c[nH+]cn1C ZINC000291226959 566270093 /nfs/dbraw/zinc/27/00/93/566270093.db2.gz NGZLSUHDYCSUCM-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO Cc1nc(CN[C@H]2CCn3cc[nH+]c32)cs1 ZINC000393309657 566332639 /nfs/dbraw/zinc/33/26/39/566332639.db2.gz PUQPPGLFYKRVBL-JTQLQIEISA-N 1 2 234.328 1.883 20 0 BDADLO Cc1nc(CN[C@@H]2CCn3cc[nH+]c32)cs1 ZINC000393309658 566333135 /nfs/dbraw/zinc/33/31/35/566333135.db2.gz PUQPPGLFYKRVBL-SNVBAGLBSA-N 1 2 234.328 1.883 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1noc(C2CC2)n1 ZINC000330206029 566341410 /nfs/dbraw/zinc/34/14/10/566341410.db2.gz CXFWPWUCPUHLKQ-QPUJVOFHSA-N 1 2 237.303 1.604 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)[C@H]1C ZINC000339582614 566373664 /nfs/dbraw/zinc/37/36/64/566373664.db2.gz YXHWUNQTQCXLKO-RQJHMYQMSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)[C@H]1C ZINC000339582614 566373669 /nfs/dbraw/zinc/37/36/69/566373669.db2.gz YXHWUNQTQCXLKO-RQJHMYQMSA-N 1 2 224.226 1.005 20 0 BDADLO CO[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000332899078 566377504 /nfs/dbraw/zinc/37/75/04/566377504.db2.gz WJMTXGHJKWWCQP-ONGXEEELSA-N 1 2 237.303 1.026 20 0 BDADLO CO[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000332899078 566377507 /nfs/dbraw/zinc/37/75/07/566377507.db2.gz WJMTXGHJKWWCQP-ONGXEEELSA-N 1 2 237.303 1.026 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC[C@H]1CCCO1 ZINC000194417568 566492657 /nfs/dbraw/zinc/49/26/57/566492657.db2.gz NNSZXXNTGNVICZ-SECBINFHSA-N 1 2 247.302 1.437 20 0 BDADLO CN(C)c1cc(N[C@H]2CCSC2)nc[nH+]1 ZINC000892703461 582961485 /nfs/dbraw/zinc/96/14/85/582961485.db2.gz LSWVBCNDWCVMLF-QMMMGPOBSA-N 1 2 224.333 1.460 20 0 BDADLO CC[C@@H](C[C@@H](C)CO)Nc1cc(NC)nc[nH+]1 ZINC000892744931 582975344 /nfs/dbraw/zinc/97/53/44/582975344.db2.gz HDXUXSBKVMLHLG-ZJUUUORDSA-N 1 2 238.335 1.727 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)C1CCC1 ZINC000893517318 583155653 /nfs/dbraw/zinc/15/56/53/583155653.db2.gz PUTWPNKKZXQZOV-SNVBAGLBSA-N 1 2 220.272 1.980 20 0 BDADLO CC[C@@H](CNc1cc(N(C)C)nc[nH+]1)OC ZINC000893916987 583247185 /nfs/dbraw/zinc/24/71/85/583247185.db2.gz FNHLQEGYCHXXMO-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO CC[C@@H](CNc1cc(N(C)C)[nH+]cn1)OC ZINC000893916987 583247186 /nfs/dbraw/zinc/24/71/86/583247186.db2.gz FNHLQEGYCHXXMO-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894019066 583273396 /nfs/dbraw/zinc/27/33/96/583273396.db2.gz FUSOGCXGFBWBRZ-LLVKDONJSA-N 1 2 223.320 1.495 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2CCC[C@H]2C)s1 ZINC000894020573 583274881 /nfs/dbraw/zinc/27/48/81/583274881.db2.gz IGLFYGIBJVUNKW-MRVPVSSYSA-N 1 2 240.328 1.914 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2CCC[C@H]2C)s1 ZINC000894020573 583274884 /nfs/dbraw/zinc/27/48/84/583274884.db2.gz IGLFYGIBJVUNKW-MRVPVSSYSA-N 1 2 240.328 1.914 20 0 BDADLO COCC(COC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894075287 583297580 /nfs/dbraw/zinc/29/75/80/583297580.db2.gz IRFZHSICQSXGPW-VIFPVBQESA-N 1 2 240.303 1.208 20 0 BDADLO CCCCNC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853045235 588717549 /nfs/dbraw/zinc/71/75/49/588717549.db2.gz SGFITPRQAKSLMZ-VIFPVBQESA-N 1 2 240.376 1.745 20 0 BDADLO CC(C)NC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853044594 588717557 /nfs/dbraw/zinc/71/75/57/588717557.db2.gz LFCSLDUHZPZDSQ-QMMMGPOBSA-N 1 2 226.349 1.354 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853107369 588720823 /nfs/dbraw/zinc/72/08/23/588720823.db2.gz RIWIKGKTXDPDIF-SECBINFHSA-N 1 2 216.231 1.360 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCOC2=S)C[C@H](C)O1 ZINC000111168053 588725858 /nfs/dbraw/zinc/72/58/58/588725858.db2.gz QDNJNHXEMLZMKG-UWVGGRQHSA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCOC2=S)C[C@H](C)O1 ZINC000111168053 588725859 /nfs/dbraw/zinc/72/58/59/588725859.db2.gz QDNJNHXEMLZMKG-UWVGGRQHSA-N 1 2 244.360 1.060 20 0 BDADLO Cc1nn(C[N@@H+](C)CC(C)(C)C)c(=O)o1 ZINC000853497063 588746324 /nfs/dbraw/zinc/74/63/24/588746324.db2.gz PAIHLJFMIIVPPP-UHFFFAOYSA-N 1 2 213.281 1.080 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c(=O)o1 ZINC000853489935 588745644 /nfs/dbraw/zinc/74/56/44/588745644.db2.gz XMTAAEGMYFSUEI-ONGXEEELSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c(=O)o1 ZINC000853489935 588745645 /nfs/dbraw/zinc/74/56/45/588745645.db2.gz XMTAAEGMYFSUEI-ONGXEEELSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)CC(C)(C)C)c(=O)o1 ZINC000853497063 588746325 /nfs/dbraw/zinc/74/63/25/588746325.db2.gz PAIHLJFMIIVPPP-UHFFFAOYSA-N 1 2 213.281 1.080 20 0 BDADLO CCC(CC)CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000853668125 588754031 /nfs/dbraw/zinc/75/40/31/588754031.db2.gz VJHSPBSRBNDFJI-UHFFFAOYSA-N 1 2 243.351 1.836 20 0 BDADLO CCc1nc(C)c(CO[NH+]=C(N)[C@@H](C)OC)o1 ZINC000853673535 588754629 /nfs/dbraw/zinc/75/46/29/588754629.db2.gz FZIBRGIKOVXTKO-MRVPVSSYSA-N 1 2 241.291 1.579 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@H](C)OC)C1CCC1 ZINC000853674241 588754675 /nfs/dbraw/zinc/75/46/75/588754675.db2.gz UTAWOJFODREPFJ-WPRPVWTQSA-N 1 2 230.308 1.335 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCO1 ZINC000853699279 588757720 /nfs/dbraw/zinc/75/77/20/588757720.db2.gz ZUYGGCJXLGABST-LMLFDSFASA-N 1 2 224.304 1.710 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)C1CCC1 ZINC000853699101 588757770 /nfs/dbraw/zinc/75/77/70/588757770.db2.gz WWCFZABXTWWYOF-QWRGUYRKSA-N 1 2 242.319 1.479 20 0 BDADLO CC(C)[C@@H](C)O[NH+]=C(N)COC[C@H]1CCOC1 ZINC000853727397 588759670 /nfs/dbraw/zinc/75/96/70/588759670.db2.gz FJEGIKOYNNHQDO-MNOVXSKESA-N 1 2 244.335 1.582 20 0 BDADLO CC(C)c1nc(NCCOCCF)cc[nH+]1 ZINC000853995109 588770910 /nfs/dbraw/zinc/77/09/10/588770910.db2.gz BZNWEIBHXAVSRN-UHFFFAOYSA-N 1 2 227.283 1.998 20 0 BDADLO CC12CC(C1)CN2C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854095258 588774650 /nfs/dbraw/zinc/77/46/50/588774650.db2.gz FOWXCDYWSNEHOS-QUNCOHTASA-N 1 2 246.314 1.522 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 ZINC000854140540 588776433 /nfs/dbraw/zinc/77/64/33/588776433.db2.gz GVAYSMDBFRKECV-HLTSFMKQSA-N 1 2 225.292 1.618 20 0 BDADLO c1[nH]cc(-c2cnn([C@H]3CCCCO3)c2)[nH+]1 ZINC000854206797 588779242 /nfs/dbraw/zinc/77/92/42/588779242.db2.gz ANBHEALOMHHNPE-LLVKDONJSA-N 1 2 218.260 1.972 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nc2c(s1)CCC2 ZINC000854313607 588783204 /nfs/dbraw/zinc/78/32/04/588783204.db2.gz YWGXUEICNXEAEZ-UHFFFAOYSA-N 1 2 248.311 1.536 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000854419121 588786234 /nfs/dbraw/zinc/78/62/34/588786234.db2.gz MGCQALHNPPMCDL-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO CCC(F)(F)C(=O)NCc1c[nH+]cn1C ZINC000854498913 588789457 /nfs/dbraw/zinc/78/94/57/588789457.db2.gz OBBFEKOMKYXETE-UHFFFAOYSA-N 1 2 217.219 1.082 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC1(C)C ZINC000854498507 588789524 /nfs/dbraw/zinc/78/95/24/588789524.db2.gz GSZWMVSBUMICDF-SNVBAGLBSA-N 1 2 221.304 1.473 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854533588 588790864 /nfs/dbraw/zinc/79/08/64/588790864.db2.gz UIAIPHBXTXTLNX-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594377 588796353 /nfs/dbraw/zinc/79/63/53/588796353.db2.gz JRQFNBOHDGLXGW-SECBINFHSA-N 1 2 207.277 1.943 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCc1c[nH+]cn1C ZINC000854499123 588789636 /nfs/dbraw/zinc/78/96/36/588789636.db2.gz SWJNZCSKIDTMTR-SNVBAGLBSA-N 1 2 247.298 1.508 20 0 BDADLO CC(C)(C)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854659766 588799764 /nfs/dbraw/zinc/79/97/64/588799764.db2.gz RHMXSDHXJRCZNN-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO CCc1nocc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854686068 588801139 /nfs/dbraw/zinc/80/11/39/588801139.db2.gz RLUHDDFLYZQQSZ-JTQLQIEISA-N 1 2 246.270 1.308 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854684558 588801338 /nfs/dbraw/zinc/80/13/38/588801338.db2.gz BNRYKADWWJMCFA-HRDYMLBCSA-N 1 2 205.261 1.100 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCC1(F)F ZINC000854819543 588812126 /nfs/dbraw/zinc/81/21/26/588812126.db2.gz XMCFSVJDLBPIMM-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO CC[C@@H]1CC[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854888820 588815703 /nfs/dbraw/zinc/81/57/03/588815703.db2.gz WWKCOYLZEASXQP-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000854917373 588816829 /nfs/dbraw/zinc/81/68/29/588816829.db2.gz NYDHCCVAKCHYKP-UTLUCORTSA-N 1 2 219.288 1.257 20 0 BDADLO CC1=NO[C@H](C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000854960201 588819059 /nfs/dbraw/zinc/81/90/59/588819059.db2.gz FLKSOBIYZCHVCB-LBPRGKRZSA-N 1 2 247.298 1.479 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000854981941 588819546 /nfs/dbraw/zinc/81/95/46/588819546.db2.gz HLPPTAPPLNMBNB-QWRGUYRKSA-N 1 2 233.315 1.505 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1=COCCC1 ZINC000855134214 588822805 /nfs/dbraw/zinc/82/28/05/588822805.db2.gz IOHIBHGSLFGFIZ-UHFFFAOYSA-N 1 2 221.260 1.062 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1=COCCC1 ZINC000855134214 588822806 /nfs/dbraw/zinc/82/28/06/588822806.db2.gz IOHIBHGSLFGFIZ-UHFFFAOYSA-N 1 2 221.260 1.062 20 0 BDADLO CS/C=C/C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134626 588823032 /nfs/dbraw/zinc/82/30/32/588823032.db2.gz UWSDWKVQLZUIIC-ONEGZZNKSA-N 1 2 211.290 1.245 20 0 BDADLO CS/C=C/C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134626 588823033 /nfs/dbraw/zinc/82/30/33/588823033.db2.gz UWSDWKVQLZUIIC-ONEGZZNKSA-N 1 2 211.290 1.245 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccccn1 ZINC000855136430 588823512 /nfs/dbraw/zinc/82/35/12/588823512.db2.gz QJVMQLARIAKPEB-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccccn1 ZINC000855136430 588823513 /nfs/dbraw/zinc/82/35/13/588823513.db2.gz QJVMQLARIAKPEB-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C=CCC1 ZINC000855434485 588836290 /nfs/dbraw/zinc/83/62/90/588836290.db2.gz LMRRHMUHHKYAJO-GMTAPVOTSA-N 1 2 231.299 1.358 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000846090268 582644579 /nfs/dbraw/zinc/64/45/79/582644579.db2.gz FFDARUBOMJCLSF-QWRGUYRKSA-N 1 2 242.363 1.859 20 0 BDADLO C[C@H]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000855796366 588848619 /nfs/dbraw/zinc/84/86/19/588848619.db2.gz HERGBHMOUURSLQ-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891413563 582680771 /nfs/dbraw/zinc/68/07/71/582680771.db2.gz VUONQNLIRFBWLO-IUCAKERBSA-N 1 2 210.277 1.318 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(OC)o1 ZINC000891504549 582693900 /nfs/dbraw/zinc/69/39/00/582693900.db2.gz WOJYSFBYEHBLOW-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(OC)o1 ZINC000891504549 582693901 /nfs/dbraw/zinc/69/39/01/582693901.db2.gz WOJYSFBYEHBLOW-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000891543602 582696034 /nfs/dbraw/zinc/69/60/34/582696034.db2.gz UBOOIWBVTUZFDY-SNVBAGLBSA-N 1 2 221.304 1.439 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000891561910 582697211 /nfs/dbraw/zinc/69/72/11/582697211.db2.gz HNDQWUNCNPPKMW-LBPRGKRZSA-N 1 2 235.331 1.829 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000891558244 582697531 /nfs/dbraw/zinc/69/75/31/582697531.db2.gz BZAIHJUFEDOTMF-SDDRHHMPSA-N 1 2 248.330 1.371 20 0 BDADLO CCc1cc(NCC(=O)NC2CC2)nc(CC)[nH+]1 ZINC000891589912 582699983 /nfs/dbraw/zinc/69/99/83/582699983.db2.gz UFKRMVNOIAYKPV-UHFFFAOYSA-N 1 2 248.330 1.292 20 0 BDADLO CC[C@H]1CN(c2cc(N(C)C)[nH+]cn2)CCO1 ZINC000891684864 582709865 /nfs/dbraw/zinc/70/98/65/582709865.db2.gz YNLPPKMTOZTGRL-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO CC[C@H]1CN(c2cc(N(C)C)nc[nH+]2)CCO1 ZINC000891684864 582709867 /nfs/dbraw/zinc/70/98/67/582709867.db2.gz YNLPPKMTOZTGRL-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO CN(C)c1cc(NC[C@@H](O)c2ccco2)[nH+]cn1 ZINC000891778261 582719450 /nfs/dbraw/zinc/71/94/50/582719450.db2.gz LHJPXMBYORIOLU-SECBINFHSA-N 1 2 248.286 1.281 20 0 BDADLO CN(C)c1cc(NC[C@@H](O)c2ccco2)nc[nH+]1 ZINC000891778261 582719451 /nfs/dbraw/zinc/71/94/51/582719451.db2.gz LHJPXMBYORIOLU-SECBINFHSA-N 1 2 248.286 1.281 20 0 BDADLO C[C@H]1C[C@@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000891825893 582727350 /nfs/dbraw/zinc/72/73/50/582727350.db2.gz MOTQEHUZEFWSMZ-DTWKUNHWSA-N 1 2 206.293 1.611 20 0 BDADLO C[C@H]1C[C@@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000891825893 582727352 /nfs/dbraw/zinc/72/73/52/582727352.db2.gz MOTQEHUZEFWSMZ-DTWKUNHWSA-N 1 2 206.293 1.611 20 0 BDADLO c1[nH+]cn2ccnc(N3CCCSCC3)c12 ZINC000891864282 582731040 /nfs/dbraw/zinc/73/10/40/582731040.db2.gz OXBUFCWIPMNYOW-UHFFFAOYSA-N 1 2 234.328 1.673 20 0 BDADLO C[C@H]1CN(c2nccn3c[nH+]cc23)CC(C)(C)O1 ZINC000892024821 582764536 /nfs/dbraw/zinc/76/45/36/582764536.db2.gz GTLYDTCXNFQZGA-JTQLQIEISA-N 1 2 246.314 1.733 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2c3c(nn2C)CCC3)[C@H]1C ZINC000892048061 582773238 /nfs/dbraw/zinc/77/32/38/582773238.db2.gz GZBNKYNAVMGTRT-QWRGUYRKSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2c3c(nn2C)CCC3)[C@H]1C ZINC000892048061 582773240 /nfs/dbraw/zinc/77/32/40/582773240.db2.gz GZBNKYNAVMGTRT-QWRGUYRKSA-N 1 2 249.358 1.518 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000892049545 582775229 /nfs/dbraw/zinc/77/52/29/582775229.db2.gz RYSYKVGJPNMNEZ-ZJUUUORDSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000892049545 582775231 /nfs/dbraw/zinc/77/52/31/582775231.db2.gz RYSYKVGJPNMNEZ-ZJUUUORDSA-N 1 2 225.288 1.897 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1Cc1[nH+]ccn1C1CC1 ZINC000892050173 582775616 /nfs/dbraw/zinc/77/56/16/582775616.db2.gz WYPWWWPGIRRNPG-MNOVXSKESA-N 1 2 235.331 1.827 20 0 BDADLO CC[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000855876911 588852604 /nfs/dbraw/zinc/85/26/04/588852604.db2.gz LMBRYNNESXBNDN-GFCCVEGCSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1c1ccco1 ZINC000114336970 582822321 /nfs/dbraw/zinc/82/23/21/582822321.db2.gz MDHPLZGNFONLMX-RKDXNWHRSA-N 1 2 231.255 1.423 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000725778244 582848498 /nfs/dbraw/zinc/84/84/98/582848498.db2.gz LABAFWVCZBOYGK-LLVKDONJSA-N 1 2 243.310 1.696 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000725778244 582848500 /nfs/dbraw/zinc/84/85/00/582848500.db2.gz LABAFWVCZBOYGK-LLVKDONJSA-N 1 2 243.310 1.696 20 0 BDADLO c1cc(C[NH2+]Cc2cnn3ccccc23)no1 ZINC000093305911 582875732 /nfs/dbraw/zinc/87/57/32/582875732.db2.gz AWAIYIIABZAKJD-UHFFFAOYSA-N 1 2 228.255 1.612 20 0 BDADLO CCc1cc(C[NH2+]Cc2cn(CC)nn2)on1 ZINC000892398029 582875859 /nfs/dbraw/zinc/87/58/59/582875859.db2.gz TZTNHGRLDCFJTJ-UHFFFAOYSA-N 1 2 235.291 1.138 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)CCO)[nH+]1 ZINC000892616402 582930606 /nfs/dbraw/zinc/93/06/06/582930606.db2.gz LGBWDCKZUNSCEP-DTWKUNHWSA-N 1 2 210.277 1.318 20 0 BDADLO CCc1cc(N[C@H]2CCN(C)C2=O)nc(CC)[nH+]1 ZINC000892621221 582931732 /nfs/dbraw/zinc/93/17/32/582931732.db2.gz IOQXYFCPGKMAEF-JTQLQIEISA-N 1 2 248.330 1.244 20 0 BDADLO CN(C)c1cc(N(C)C2CCC2)nc[nH+]1 ZINC000892694542 582957661 /nfs/dbraw/zinc/95/76/61/582957661.db2.gz UEGUROJYVRWMPR-UHFFFAOYSA-N 1 2 206.293 1.531 20 0 BDADLO CN(C)c1cc(N(C)C2CCC2)[nH+]cn1 ZINC000892694542 582957663 /nfs/dbraw/zinc/95/76/63/582957663.db2.gz UEGUROJYVRWMPR-UHFFFAOYSA-N 1 2 206.293 1.531 20 0 BDADLO CN(C)c1cc(N[C@H]2CCSC2)[nH+]cn1 ZINC000892703461 582961483 /nfs/dbraw/zinc/96/14/83/582961483.db2.gz LSWVBCNDWCVMLF-QMMMGPOBSA-N 1 2 224.333 1.460 20 0 BDADLO CCC(F)(F)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856282301 588867231 /nfs/dbraw/zinc/86/72/31/588867231.db2.gz WGXKYOJVFMJVKY-SSDOTTSWSA-N 1 2 231.246 1.643 20 0 BDADLO CCCN(CC)c1nccn2c[nH+]cc12 ZINC000892787551 582982661 /nfs/dbraw/zinc/98/26/61/582982661.db2.gz QNSVVZJSTNANPZ-UHFFFAOYSA-N 1 2 204.277 1.966 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)[C@H]1C ZINC000892802805 582986409 /nfs/dbraw/zinc/98/64/09/582986409.db2.gz VFYKHYIPNKBAED-UWVGGRQHSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)[C@H]1C ZINC000892802805 582986410 /nfs/dbraw/zinc/98/64/10/582986410.db2.gz VFYKHYIPNKBAED-UWVGGRQHSA-N 1 2 220.320 1.777 20 0 BDADLO c1csc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000892898909 583006875 /nfs/dbraw/zinc/00/68/75/583006875.db2.gz HQYSWHYCPRIBME-UHFFFAOYSA-N 1 2 206.274 1.401 20 0 BDADLO CCOc1cncc(C[NH2+]Cc2ccon2)c1 ZINC000856771128 588876834 /nfs/dbraw/zinc/87/68/34/588876834.db2.gz APOBECSUAJXREB-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccon1 ZINC000745082708 583031162 /nfs/dbraw/zinc/03/11/62/583031162.db2.gz QSTOXTTUUCBRJH-JTQLQIEISA-N 1 2 224.260 1.202 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccon1 ZINC000745082708 583031166 /nfs/dbraw/zinc/03/11/66/583031166.db2.gz QSTOXTTUUCBRJH-JTQLQIEISA-N 1 2 224.260 1.202 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H](C)CO1)c1[nH+]ccn1C ZINC000893045642 583036999 /nfs/dbraw/zinc/03/69/99/583036999.db2.gz ZMUXIJZBPATXIW-GUBZILKMSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@@H](O)c1cccc(N2CCOC3(CCC3)C2)[nH+]1 ZINC000893056039 583039032 /nfs/dbraw/zinc/03/90/32/583039032.db2.gz QCXNAPWNBCYUEY-LLVKDONJSA-N 1 2 248.326 1.894 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@@H]2CCOC2)[nH+]1 ZINC000893144634 583056824 /nfs/dbraw/zinc/05/68/24/583056824.db2.gz RYTAGDYQDJIJRJ-GHMZBOCLSA-N 1 2 236.315 1.973 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@H](CC(C)C)C2)c(=O)o1 ZINC000853498468 583058043 /nfs/dbraw/zinc/05/80/43/583058043.db2.gz BUKGOAHHSPVSLV-LLVKDONJSA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c(=O)o1 ZINC000853498468 583058044 /nfs/dbraw/zinc/05/80/44/583058044.db2.gz BUKGOAHHSPVSLV-LLVKDONJSA-N 1 2 239.319 1.470 20 0 BDADLO C[C@@H](O)c1cccc(NCCc2ccn(C)n2)[nH+]1 ZINC000893179579 583064633 /nfs/dbraw/zinc/06/46/33/583064633.db2.gz WAQVZRLUBISZEE-SNVBAGLBSA-N 1 2 246.314 1.523 20 0 BDADLO OC[C@@H]([NH2+]Cc1cnccn1)c1ccsc1 ZINC000856779190 588877358 /nfs/dbraw/zinc/87/73/58/588877358.db2.gz UVJWWKLETVNHCE-LLVKDONJSA-N 1 2 235.312 1.361 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+]C1(CO)CCCCC1 ZINC000776590649 583124747 /nfs/dbraw/zinc/12/47/47/583124747.db2.gz JCOLDSNYAUPNCN-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H](C)OC)nc[nH+]1 ZINC000893410060 583138826 /nfs/dbraw/zinc/13/88/26/583138826.db2.gz ZPXMOCJDICROKA-YUMQZZPRSA-N 1 2 210.281 1.354 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H](C)OC)[nH+]cn1 ZINC000893410060 583138827 /nfs/dbraw/zinc/13/88/27/583138827.db2.gz ZPXMOCJDICROKA-YUMQZZPRSA-N 1 2 210.281 1.354 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1cnn(C)c1 ZINC000893519240 583156055 /nfs/dbraw/zinc/15/60/55/583156055.db2.gz PGJZROWTAFIYPT-SNVBAGLBSA-N 1 2 246.270 1.227 20 0 BDADLO CO[C@]1(C)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893592111 583168746 /nfs/dbraw/zinc/16/87/46/583168746.db2.gz INEGKQOXJPSYMS-CYBMUJFWSA-N 1 2 246.314 1.735 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)COC(C)=O)C(=O)OC ZINC000893600265 583170519 /nfs/dbraw/zinc/17/05/19/583170519.db2.gz UEVBUEVQYQJSTN-KOLCDFICSA-N 1 2 245.319 1.259 20 0 BDADLO CCOCC[N@H+](C)Cc1cn(C)nc1Cl ZINC000857037863 588883262 /nfs/dbraw/zinc/88/32/62/588883262.db2.gz ZALSOPHDZUWGBR-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCOCC[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857037863 588883263 /nfs/dbraw/zinc/88/32/63/588883263.db2.gz ZALSOPHDZUWGBR-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO c1[nH+]cn2ccnc(N3CCC4(CC4)C3)c12 ZINC000893683112 583198589 /nfs/dbraw/zinc/19/85/89/583198589.db2.gz ZNHJGLAQJVCNIO-UHFFFAOYSA-N 1 2 214.272 1.720 20 0 BDADLO CCOc1cncc(C[NH2+]Cc2nonc2C)c1 ZINC000857046332 588884266 /nfs/dbraw/zinc/88/42/66/588884266.db2.gz MEZCHKLGWSZDJC-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO CN(C)c1cc(NCCCOC(F)F)[nH+]cn1 ZINC000893719161 583212426 /nfs/dbraw/zinc/21/24/26/583212426.db2.gz XOXAEJRZOLVQRT-UHFFFAOYSA-N 1 2 246.261 1.584 20 0 BDADLO CN(C)c1cc(NCCCOC(F)F)nc[nH+]1 ZINC000893719161 583212429 /nfs/dbraw/zinc/21/24/29/583212429.db2.gz XOXAEJRZOLVQRT-UHFFFAOYSA-N 1 2 246.261 1.584 20 0 BDADLO CNc1cc(N2CCC[C@@H]2[C@H]2CCCO2)nc[nH+]1 ZINC000893735777 583216112 /nfs/dbraw/zinc/21/61/12/583216112.db2.gz TVXPPWKULPTJDE-GHMZBOCLSA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CCC[C@@H]2[C@H]2CCCO2)[nH+]cn1 ZINC000893735777 583216114 /nfs/dbraw/zinc/21/61/14/583216114.db2.gz TVXPPWKULPTJDE-GHMZBOCLSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000893844390 583232303 /nfs/dbraw/zinc/23/23/03/583232303.db2.gz CUHZIDORDZBVOA-SECBINFHSA-N 1 2 236.319 1.408 20 0 BDADLO CC(C)[C@H](CO)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893860678 583233697 /nfs/dbraw/zinc/23/36/97/583233697.db2.gz WIONWQVGLKOKPL-QWRGUYRKSA-N 1 2 238.331 1.811 20 0 BDADLO CC(C)[C@H](CO)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893860677 583233825 /nfs/dbraw/zinc/23/38/25/583233825.db2.gz WIONWQVGLKOKPL-MNOVXSKESA-N 1 2 238.331 1.811 20 0 BDADLO CSc1ccc(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000893903847 583242920 /nfs/dbraw/zinc/24/29/20/583242920.db2.gz WRMNHWNKRUREDN-UHFFFAOYSA-N 1 2 242.344 1.522 20 0 BDADLO CSc1ccc(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000893903847 583242921 /nfs/dbraw/zinc/24/29/21/583242921.db2.gz WRMNHWNKRUREDN-UHFFFAOYSA-N 1 2 242.344 1.522 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)co1 ZINC000893905823 583242930 /nfs/dbraw/zinc/24/29/30/583242930.db2.gz RSSUMAIXDHMNRY-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)co1 ZINC000893905823 583242931 /nfs/dbraw/zinc/24/29/31/583242931.db2.gz RSSUMAIXDHMNRY-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CNc1cc(N2CCC(F)(F)[C@H](C)C2)nc[nH+]1 ZINC000893904612 583242946 /nfs/dbraw/zinc/24/29/46/583242946.db2.gz IGZUZXJDUJHOPN-MRVPVSSYSA-N 1 2 242.273 2.000 20 0 BDADLO CNc1cc(N2CCC(F)(F)[C@H](C)C2)[nH+]cn1 ZINC000893904612 583242948 /nfs/dbraw/zinc/24/29/48/583242948.db2.gz IGZUZXJDUJHOPN-MRVPVSSYSA-N 1 2 242.273 2.000 20 0 BDADLO COC1CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000893914961 583246397 /nfs/dbraw/zinc/24/63/97/583246397.db2.gz NXFILFPXZOSTDD-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@@H](CNc1cccc([C@@H](C)O)[nH+]1)OC ZINC000893916399 583246832 /nfs/dbraw/zinc/24/68/32/583246832.db2.gz APRYQBHDUMBCFF-ZJUUUORDSA-N 1 2 224.304 1.972 20 0 BDADLO CCc1cc(N[C@H](CC)C(N)=O)nc(CC)[nH+]1 ZINC000893930020 583250525 /nfs/dbraw/zinc/25/05/25/583250525.db2.gz PEQSQVYLTBEGPZ-SECBINFHSA-N 1 2 236.319 1.277 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2c1NCCC2 ZINC000893946469 583257036 /nfs/dbraw/zinc/25/70/36/583257036.db2.gz AJPAJYFKYPXIQK-UHFFFAOYSA-N 1 2 248.326 1.650 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000893946469 583257039 /nfs/dbraw/zinc/25/70/39/583257039.db2.gz AJPAJYFKYPXIQK-UHFFFAOYSA-N 1 2 248.326 1.650 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2c(C)ccnc2N)CCO1 ZINC000894034583 583278058 /nfs/dbraw/zinc/27/80/58/583278058.db2.gz RRTNRFMKBJMFOX-GFCCVEGCSA-N 1 2 249.358 1.973 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2c(C)ccnc2N)CCO1 ZINC000894034583 583278060 /nfs/dbraw/zinc/27/80/60/583278060.db2.gz RRTNRFMKBJMFOX-GFCCVEGCSA-N 1 2 249.358 1.973 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@H](C)[C@H]2C)c1C ZINC000894026504 583280490 /nfs/dbraw/zinc/28/04/90/583280490.db2.gz LTXGAKZPDAJVCQ-GHMZBOCLSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1C ZINC000894026504 583280492 /nfs/dbraw/zinc/28/04/92/583280492.db2.gz LTXGAKZPDAJVCQ-GHMZBOCLSA-N 1 2 223.320 1.636 20 0 BDADLO CNc1cc(N2CC[C@H](OC)[C@@H](C)C2)nc[nH+]1 ZINC000894062654 583292480 /nfs/dbraw/zinc/29/24/80/583292480.db2.gz FBJDOEHENQCLBD-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@H](OC)[C@@H](C)C2)[nH+]cn1 ZINC000894062654 583292483 /nfs/dbraw/zinc/29/24/83/583292483.db2.gz FBJDOEHENQCLBD-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO Cc1cc(N2CC(C)(CO)C2)nc(C2CCC2)[nH+]1 ZINC000894079387 583297340 /nfs/dbraw/zinc/29/73/40/583297340.db2.gz FXAVLNABERHXTG-UHFFFAOYSA-N 1 2 247.342 1.871 20 0 BDADLO CNc1cc(N[C@@H](C)Cc2cnn(C)c2)[nH+]cn1 ZINC000894097658 583302666 /nfs/dbraw/zinc/30/26/66/583302666.db2.gz BBSXSIZMRKEJDZ-VIFPVBQESA-N 1 2 246.318 1.295 20 0 BDADLO CCn1cc([C@H](C)Nc2cc(NC)[nH+]cn2)cn1 ZINC000894108520 583307823 /nfs/dbraw/zinc/30/78/23/583307823.db2.gz ZPMPWNZODSLFMR-VIFPVBQESA-N 1 2 246.318 1.908 20 0 BDADLO CCn1cc([C@H](C)Nc2cc(NC)nc[nH+]2)cn1 ZINC000894108520 583307824 /nfs/dbraw/zinc/30/78/24/583307824.db2.gz ZPMPWNZODSLFMR-VIFPVBQESA-N 1 2 246.318 1.908 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000894168409 583324222 /nfs/dbraw/zinc/32/42/22/583324222.db2.gz SUQZSOFWHWXGSS-MRVPVSSYSA-N 1 2 241.262 1.525 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000894168409 583324226 /nfs/dbraw/zinc/32/42/26/583324226.db2.gz SUQZSOFWHWXGSS-MRVPVSSYSA-N 1 2 241.262 1.525 20 0 BDADLO COC(=O)[C@H]1[C@H](CNc2cccc[nH+]2)C1(F)F ZINC000894196728 583335734 /nfs/dbraw/zinc/33/57/34/583335734.db2.gz ABBLEQNRHABSBC-IONNQARKSA-N 1 2 242.225 1.548 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc[nH]c1C1CC1 ZINC000788205224 583355600 /nfs/dbraw/zinc/35/56/00/583355600.db2.gz OIXVYXNXRIDRRV-UHFFFAOYSA-N 1 2 245.282 1.946 20 0 BDADLO O=C(CC1CCC1)OCC[NH+]1CCOCC1 ZINC000747708163 583375848 /nfs/dbraw/zinc/37/58/48/583375848.db2.gz BHYSJESCFWEQGQ-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@H](C)OC ZINC000857280517 588902690 /nfs/dbraw/zinc/90/26/90/588902690.db2.gz LVKJECYGHGJJNH-UWVGGRQHSA-N 1 2 239.319 1.505 20 0 BDADLO CC[C@@H]1C[C@H](Nc2cc(NC)nc[nH+]2)CCO1 ZINC000894249209 583391638 /nfs/dbraw/zinc/39/16/38/583391638.db2.gz PJMHKMPKSMCYAQ-NXEZZACHSA-N 1 2 236.319 1.888 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc(F)nn1 ZINC000857225634 588896172 /nfs/dbraw/zinc/89/61/72/588896172.db2.gz WOTMNCWELZZFKI-UHFFFAOYSA-N 1 2 221.239 1.444 20 0 BDADLO COc1cccc(C[N@H+](C)CN2CCC2=O)c1 ZINC000857228627 588896362 /nfs/dbraw/zinc/89/63/62/588896362.db2.gz CLEBWGUIIYPWFL-UHFFFAOYSA-N 1 2 234.299 1.317 20 0 BDADLO COc1cccc(C[N@@H+](C)CN2CCC2=O)c1 ZINC000857228627 588896364 /nfs/dbraw/zinc/89/63/64/588896364.db2.gz CLEBWGUIIYPWFL-UHFFFAOYSA-N 1 2 234.299 1.317 20 0 BDADLO CCn1cc(C[N@@H+]2CCOCC23CC3)c(C)n1 ZINC000894280787 583408211 /nfs/dbraw/zinc/40/82/11/583408211.db2.gz YMNWQNUGAJCYLN-UHFFFAOYSA-N 1 2 235.331 1.576 20 0 BDADLO CCn1cc(C[N@H+]2CCOCC23CC3)c(C)n1 ZINC000894280787 583408212 /nfs/dbraw/zinc/40/82/12/583408212.db2.gz YMNWQNUGAJCYLN-UHFFFAOYSA-N 1 2 235.331 1.576 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(O)c(F)c2)C1 ZINC000894281057 583408593 /nfs/dbraw/zinc/40/85/93/583408593.db2.gz ODEQMCQKFAWEGI-GFCCVEGCSA-N 1 2 243.253 1.438 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000894281057 583408595 /nfs/dbraw/zinc/40/85/95/583408595.db2.gz ODEQMCQKFAWEGI-GFCCVEGCSA-N 1 2 243.253 1.438 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@](F)(CO)C2)c(C)n1 ZINC000894281556 583408616 /nfs/dbraw/zinc/40/86/16/583408616.db2.gz RHWZHQXNSWPJIO-GFCCVEGCSA-N 1 2 241.310 1.118 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@](F)(CO)C2)c(C)n1 ZINC000894281556 583408618 /nfs/dbraw/zinc/40/86/18/583408618.db2.gz RHWZHQXNSWPJIO-GFCCVEGCSA-N 1 2 241.310 1.118 20 0 BDADLO O=C1CCN1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000857229501 588896789 /nfs/dbraw/zinc/89/67/89/588896789.db2.gz URIHYTPPJHCBFY-QMMMGPOBSA-N 1 2 236.237 1.451 20 0 BDADLO O=C1CCN1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000857229501 588896790 /nfs/dbraw/zinc/89/67/90/588896790.db2.gz URIHYTPPJHCBFY-QMMMGPOBSA-N 1 2 236.237 1.451 20 0 BDADLO O=C1CCN1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000857231281 588897063 /nfs/dbraw/zinc/89/70/63/588897063.db2.gz CIVWEDAPWJFAOW-UHFFFAOYSA-N 1 2 248.301 1.980 20 0 BDADLO O=C1CCN1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000857231281 588897065 /nfs/dbraw/zinc/89/70/65/588897065.db2.gz CIVWEDAPWJFAOW-UHFFFAOYSA-N 1 2 248.301 1.980 20 0 BDADLO C[C@H](O)c1cccc(N[C@H](CO)CCF)[nH+]1 ZINC000894401728 583449968 /nfs/dbraw/zinc/44/99/68/583449968.db2.gz DXKSMHQMOOPQFV-IUCAKERBSA-N 1 2 228.267 1.267 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000894421039 583455178 /nfs/dbraw/zinc/45/51/78/583455178.db2.gz UALQVDQCJFRCTQ-NSHDSACASA-N 1 2 224.304 1.840 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000894421039 583455182 /nfs/dbraw/zinc/45/51/82/583455182.db2.gz UALQVDQCJFRCTQ-NSHDSACASA-N 1 2 224.304 1.840 20 0 BDADLO CCc1cc(N(C[C@H](C)O)C2CC2)nc(CC)[nH+]1 ZINC000894437410 583460022 /nfs/dbraw/zinc/46/00/22/583460022.db2.gz YROFAAUQSWCPJN-JTQLQIEISA-N 1 2 249.358 1.951 20 0 BDADLO CN(C)CC[N@H+](C)C[C@H]1C[C@]1(C)Br ZINC000894450383 583462808 /nfs/dbraw/zinc/46/28/08/583462808.db2.gz UDCNJFBDWZRZOM-ZJUUUORDSA-N 1 2 249.196 1.653 20 0 BDADLO CN(C)CC[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC000894450383 583462811 /nfs/dbraw/zinc/46/28/11/583462811.db2.gz UDCNJFBDWZRZOM-ZJUUUORDSA-N 1 2 249.196 1.653 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)c1cc(C(F)F)ncn1 ZINC000894471179 583469215 /nfs/dbraw/zinc/46/92/15/583469215.db2.gz KSHJLIMMBCWLAI-UHFFFAOYSA-N 1 2 239.229 1.774 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)c1cc(C(F)F)ncn1 ZINC000894471179 583469217 /nfs/dbraw/zinc/46/92/17/583469217.db2.gz KSHJLIMMBCWLAI-UHFFFAOYSA-N 1 2 239.229 1.774 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000894501147 583474754 /nfs/dbraw/zinc/47/47/54/583474754.db2.gz SPMWYTYPBWTCTR-WCBMZHEXSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000894501147 583474755 /nfs/dbraw/zinc/47/47/55/583474755.db2.gz SPMWYTYPBWTCTR-WCBMZHEXSA-N 1 2 237.303 1.069 20 0 BDADLO CCO[C@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC000894527229 583477430 /nfs/dbraw/zinc/47/74/30/583477430.db2.gz VDRFXSRZCDKNRS-MGCOHNPYSA-N 1 2 236.319 1.522 20 0 BDADLO CCO[C@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC000894527229 583477433 /nfs/dbraw/zinc/47/74/33/583477433.db2.gz VDRFXSRZCDKNRS-MGCOHNPYSA-N 1 2 236.319 1.522 20 0 BDADLO COC[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894538803 583480022 /nfs/dbraw/zinc/48/00/22/583480022.db2.gz MDCPGASVDCBWAV-NOOOWODRSA-N 1 2 241.331 1.343 20 0 BDADLO CN(C)c1cc(N2C[C@H]3COC[C@@]3(C)C2)nc[nH+]1 ZINC000894564572 583484311 /nfs/dbraw/zinc/48/43/11/583484311.db2.gz STNSRLDCCODLNR-GXFFZTMASA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2C[C@H]3COC[C@@]3(C)C2)[nH+]cn1 ZINC000894564572 583484313 /nfs/dbraw/zinc/48/43/13/583484313.db2.gz STNSRLDCCODLNR-GXFFZTMASA-N 1 2 248.330 1.015 20 0 BDADLO CC(C)Cn1nccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894587163 583490000 /nfs/dbraw/zinc/49/00/00/583490000.db2.gz SNQCSWMBOCHADT-UHFFFAOYSA-N 1 2 247.346 1.894 20 0 BDADLO COC(=O)c1cnc(C[NH+]2[C@H](C)C[C@H]2C)s1 ZINC000894601012 583491513 /nfs/dbraw/zinc/49/15/13/583491513.db2.gz ONRGMJOTORDCNJ-HTQZYQBOSA-N 1 2 240.328 1.912 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1C ZINC000894595591 583493039 /nfs/dbraw/zinc/49/30/39/583493039.db2.gz ILHCOAJKHCTRNR-NSHDSACASA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1C ZINC000894595591 583493042 /nfs/dbraw/zinc/49/30/42/583493042.db2.gz ILHCOAJKHCTRNR-NSHDSACASA-N 1 2 223.320 1.229 20 0 BDADLO CC(C)(C)c1nc(N2CC3CC2(C)C3)nc(N)[nH+]1 ZINC000894658323 583501234 /nfs/dbraw/zinc/50/12/34/583501234.db2.gz VGPWUENBQMNLEH-UHFFFAOYSA-N 1 2 247.346 1.740 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCn3ccnc32)c(C)n1 ZINC000894668145 583502982 /nfs/dbraw/zinc/50/29/82/583502982.db2.gz JUONMXGZTOGFAL-LBPRGKRZSA-N 1 2 245.330 1.643 20 0 BDADLO c1nn(C2CCC2)cc1C[N@H+](C1CC1)C1COC1 ZINC000894659560 583504599 /nfs/dbraw/zinc/50/45/99/583504599.db2.gz VPKAIYLVTYOELW-UHFFFAOYSA-N 1 2 247.342 1.971 20 0 BDADLO c1nn(C2CCC2)cc1C[N@@H+](C1CC1)C1COC1 ZINC000894659560 583504600 /nfs/dbraw/zinc/50/46/00/583504600.db2.gz VPKAIYLVTYOELW-UHFFFAOYSA-N 1 2 247.342 1.971 20 0 BDADLO Cc1coc(C[N@@H+]2CCOCC23CC3)c1 ZINC000894683831 583508034 /nfs/dbraw/zinc/50/80/34/583508034.db2.gz GCZCLACHQRGBOL-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1coc(C[N@H+]2CCOCC23CC3)c1 ZINC000894683831 583508036 /nfs/dbraw/zinc/50/80/36/583508036.db2.gz GCZCLACHQRGBOL-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000894696096 583509430 /nfs/dbraw/zinc/50/94/30/583509430.db2.gz KFZCMZCPLROSIQ-UHFFFAOYSA-N 1 2 246.314 1.806 20 0 BDADLO CN(C)c1cc(NCC2CC=CC2)[nH+]cn1 ZINC000894716439 583511424 /nfs/dbraw/zinc/51/14/24/583511424.db2.gz YTPULWKPDSTCAC-UHFFFAOYSA-N 1 2 218.304 1.921 20 0 BDADLO CN(C)c1cc(NCC2CC=CC2)nc[nH+]1 ZINC000894716439 583511426 /nfs/dbraw/zinc/51/14/26/583511426.db2.gz YTPULWKPDSTCAC-UHFFFAOYSA-N 1 2 218.304 1.921 20 0 BDADLO CNc1cc(N[C@@H]2CC=C(C(=O)OC)C2)nc[nH+]1 ZINC000894726201 583515496 /nfs/dbraw/zinc/51/54/96/583515496.db2.gz SSAHJSUFSGIWEC-SECBINFHSA-N 1 2 248.286 1.192 20 0 BDADLO CNc1cc(N[C@@H]2CC=C(C(=O)OC)C2)[nH+]cn1 ZINC000894726201 583515498 /nfs/dbraw/zinc/51/54/98/583515498.db2.gz SSAHJSUFSGIWEC-SECBINFHSA-N 1 2 248.286 1.192 20 0 BDADLO CCc1nc(C[NH2+][C@@H](C)COC(C)=O)co1 ZINC000894750555 583515953 /nfs/dbraw/zinc/51/59/53/583515953.db2.gz JNGQKLQMZOXOPO-QMMMGPOBSA-N 1 2 226.276 1.278 20 0 BDADLO c1[nH]c(CN2CCOCc3ccccc32)c[nH+]1 ZINC000894790866 583520143 /nfs/dbraw/zinc/52/01/43/583520143.db2.gz YCWVJVJGQXXEDA-UHFFFAOYSA-N 1 2 229.283 1.947 20 0 BDADLO c1[nH]cc(CN2CCOCc3ccccc32)[nH+]1 ZINC000894790866 583520144 /nfs/dbraw/zinc/52/01/44/583520144.db2.gz YCWVJVJGQXXEDA-UHFFFAOYSA-N 1 2 229.283 1.947 20 0 BDADLO COC(=O)[C@@H](C[NH2+]Cc1ccn[nH]1)CC(C)C ZINC000894790933 583520342 /nfs/dbraw/zinc/52/03/42/583520342.db2.gz OLVLDJSUEJIWFJ-SNVBAGLBSA-N 1 2 239.319 1.335 20 0 BDADLO CC1=CC[C@@H]([N@@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894806289 583522996 /nfs/dbraw/zinc/52/29/96/583522996.db2.gz MNKAGJWTOCKDCE-LLVKDONJSA-N 1 2 248.330 1.085 20 0 BDADLO CC1=CC[C@@H]([N@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894806289 583522997 /nfs/dbraw/zinc/52/29/97/583522997.db2.gz MNKAGJWTOCKDCE-LLVKDONJSA-N 1 2 248.330 1.085 20 0 BDADLO COC1C[NH+](Cc2cn3ccnc3s2)C1 ZINC000894819275 583524698 /nfs/dbraw/zinc/52/46/98/583524698.db2.gz KJUCDATVECXMAI-UHFFFAOYSA-N 1 2 223.301 1.226 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC000894819375 583525132 /nfs/dbraw/zinc/52/51/32/583525132.db2.gz IYQXARXWYDAMAB-KYZUINATSA-N 1 2 222.292 1.132 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC000894819375 583525133 /nfs/dbraw/zinc/52/51/33/583525133.db2.gz IYQXARXWYDAMAB-KYZUINATSA-N 1 2 222.292 1.132 20 0 BDADLO CCc1nnc(C[NH+]2CC(C(C)(C)O)C2)s1 ZINC000894831134 583527672 /nfs/dbraw/zinc/52/76/72/583527672.db2.gz ZLTOOSKBWXWPTN-UHFFFAOYSA-N 1 2 241.360 1.303 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC(C)(O)C2)cc1C ZINC000894830188 583527884 /nfs/dbraw/zinc/52/78/84/583527884.db2.gz GQPONNQDPPOKSB-UHFFFAOYSA-N 1 2 249.310 1.348 20 0 BDADLO CCn1cc(C[NH+]2CC(C)(CCOC)C2)nn1 ZINC000894838983 583529261 /nfs/dbraw/zinc/52/92/61/583529261.db2.gz HLKXGLCXSXCJEX-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCn1cc(C[NH+]2CC(C)(CC)C2)nn1 ZINC000894839940 583530207 /nfs/dbraw/zinc/53/02/07/583530207.db2.gz LESKPFVFRNGQNZ-UHFFFAOYSA-N 1 2 208.309 1.530 20 0 BDADLO Cc1cc(N2CC(c3ccccn3)C2)nc[nH+]1 ZINC000894846027 583531520 /nfs/dbraw/zinc/53/15/20/583531520.db2.gz RANYMEVCMPLWNM-UHFFFAOYSA-N 1 2 226.283 1.784 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2cnc[nH]2)o1 ZINC000894852358 583531634 /nfs/dbraw/zinc/53/16/34/583531634.db2.gz SHWAWFUKRJZSBX-UHFFFAOYSA-N 1 2 234.303 1.948 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(SC)o1 ZINC000894851511 583531839 /nfs/dbraw/zinc/53/18/39/583531839.db2.gz MLPIHVOWRXXNFS-UHFFFAOYSA-N 1 2 242.344 1.699 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(SC)o1 ZINC000894851511 583531841 /nfs/dbraw/zinc/53/18/41/583531841.db2.gz MLPIHVOWRXXNFS-UHFFFAOYSA-N 1 2 242.344 1.699 20 0 BDADLO CCC[C@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000894867115 583538611 /nfs/dbraw/zinc/53/86/11/583538611.db2.gz HZOQDZVTGGOTMC-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000894867115 583538612 /nfs/dbraw/zinc/53/86/12/583538612.db2.gz HZOQDZVTGGOTMC-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@@H](CCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000894867114 583538623 /nfs/dbraw/zinc/53/86/23/583538623.db2.gz HZOQDZVTGGOTMC-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@@H](CCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000894867114 583538625 /nfs/dbraw/zinc/53/86/25/583538625.db2.gz HZOQDZVTGGOTMC-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccncc1Cl ZINC000880486040 583544034 /nfs/dbraw/zinc/54/40/34/583544034.db2.gz JTJTZHICDSPDQN-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ccncc1Cl ZINC000880486040 583544036 /nfs/dbraw/zinc/54/40/36/583544036.db2.gz JTJTZHICDSPDQN-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894881962 583544292 /nfs/dbraw/zinc/54/42/92/583544292.db2.gz TYTMXGZUKZZZPL-WCQYABFASA-N 1 2 237.347 1.619 20 0 BDADLO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894881962 583544294 /nfs/dbraw/zinc/54/42/94/583544294.db2.gz TYTMXGZUKZZZPL-WCQYABFASA-N 1 2 237.347 1.619 20 0 BDADLO COCc1nc(C[N@@H+]2CC=C[C@H]2CO)cs1 ZINC000880486302 583544342 /nfs/dbraw/zinc/54/43/42/583544342.db2.gz NSVOHYFMLMJKKD-JTQLQIEISA-N 1 2 240.328 1.022 20 0 BDADLO COCc1nc(C[N@H+]2CC=C[C@H]2CO)cs1 ZINC000880486302 583544343 /nfs/dbraw/zinc/54/43/43/583544343.db2.gz NSVOHYFMLMJKKD-JTQLQIEISA-N 1 2 240.328 1.022 20 0 BDADLO CC[C@@]1(O)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894937713 583558513 /nfs/dbraw/zinc/55/85/13/583558513.db2.gz ROTRYXSRQBRUNC-CYBMUJFWSA-N 1 2 246.314 1.471 20 0 BDADLO O[C@H]1C[C@H]2C[C@@H](C1)N(c1nccn3c[nH+]cc13)C2 ZINC000894988555 583565302 /nfs/dbraw/zinc/56/53/02/583565302.db2.gz VGFNBVBKMYLVMU-VWYCJHECSA-N 1 2 244.298 1.079 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)CCS1 ZINC000895038204 583570605 /nfs/dbraw/zinc/57/06/05/583570605.db2.gz UCDIWCBBBUPYHL-SECBINFHSA-N 1 2 238.360 1.484 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)CCS1 ZINC000895038204 583570606 /nfs/dbraw/zinc/57/06/06/583570606.db2.gz UCDIWCBBBUPYHL-SECBINFHSA-N 1 2 238.360 1.484 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CCC[C@@H]2C[C@@H]21 ZINC000895077036 583581303 /nfs/dbraw/zinc/58/13/03/583581303.db2.gz FTQOQDKHMLHKLM-MXWKQRLJSA-N 1 2 246.314 1.522 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H](O)c2ccco2)c1 ZINC000881802266 583585370 /nfs/dbraw/zinc/58/53/70/583585370.db2.gz ZGKLCCTVAIFEAV-SNVBAGLBSA-N 1 2 234.255 1.312 20 0 BDADLO Cc1[nH+]cnc(NCC2(C(N)=O)CCCC2)c1C ZINC000881987660 583590008 /nfs/dbraw/zinc/59/00/08/583590008.db2.gz COSUUMHTIPXDKJ-UHFFFAOYSA-N 1 2 248.330 1.551 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cccn1C ZINC000895113301 583591155 /nfs/dbraw/zinc/59/11/55/583591155.db2.gz IMEDHPZECFYAEK-AXFHLTTASA-N 1 2 235.331 1.122 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cccn1C ZINC000895113301 583591157 /nfs/dbraw/zinc/59/11/57/583591157.db2.gz IMEDHPZECFYAEK-AXFHLTTASA-N 1 2 235.331 1.122 20 0 BDADLO CN(C)c1cc(NCCc2ccns2)[nH+]cn1 ZINC000895130070 583601196 /nfs/dbraw/zinc/60/11/96/583601196.db2.gz IXTAYISYKSYGSI-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO CN(C)c1cc(NCCc2ccns2)nc[nH+]1 ZINC000895130070 583601197 /nfs/dbraw/zinc/60/11/97/583601197.db2.gz IXTAYISYKSYGSI-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO CSc1ccc[nH+]c1N[C@H](C)CCO ZINC000895162572 583610824 /nfs/dbraw/zinc/61/08/24/583610824.db2.gz HVFBPOZOYFOKAP-MRVPVSSYSA-N 1 2 212.318 1.986 20 0 BDADLO Cc1occc1C[NH2+][C@@H](C)C1N=NC(=O)N1C ZINC000895170130 583612291 /nfs/dbraw/zinc/61/22/91/583612291.db2.gz CRYWPYPWISGPCD-ZETCQYMHSA-N 1 2 236.275 1.273 20 0 BDADLO CC/C=C(\C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000727106026 583616198 /nfs/dbraw/zinc/61/61/98/583616198.db2.gz GTZMXVOSAMNEBO-LFYBBSHMSA-N 1 2 240.347 1.133 20 0 BDADLO Cc1ccnc(N)c1C[NH+]1CC2(CC2(F)F)C1 ZINC000895184781 583619073 /nfs/dbraw/zinc/61/90/73/583619073.db2.gz WSNWCAQCQZQEGW-UHFFFAOYSA-N 1 2 239.269 1.813 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC2(CC2(F)F)C1 ZINC000895184781 583619074 /nfs/dbraw/zinc/61/90/74/583619074.db2.gz WSNWCAQCQZQEGW-UHFFFAOYSA-N 1 2 239.269 1.813 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)Cc2cc[nH]c(=O)c2)n1 ZINC000895220845 583628587 /nfs/dbraw/zinc/62/85/87/583628587.db2.gz LSNLBNFKBGNLAS-QMMMGPOBSA-N 1 2 248.286 1.672 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)Cc2cc[nH]c(=O)c2)n1 ZINC000895220845 583628588 /nfs/dbraw/zinc/62/85/88/583628588.db2.gz LSNLBNFKBGNLAS-QMMMGPOBSA-N 1 2 248.286 1.672 20 0 BDADLO CNc1cc(CNc2nc(C)ns2)cc[nH+]1 ZINC000895255915 583633802 /nfs/dbraw/zinc/63/38/02/583633802.db2.gz TUPSNZISBWGCTA-UHFFFAOYSA-N 1 2 235.316 1.895 20 0 BDADLO O=c1ccccn1CC[N@@H+]1Cc2ccncc2C1 ZINC000857876216 588919184 /nfs/dbraw/zinc/91/91/84/588919184.db2.gz ADLBIZDFRVXLJV-UHFFFAOYSA-N 1 2 241.294 1.259 20 0 BDADLO O=c1ccccn1CC[N@H+]1Cc2ccncc2C1 ZINC000857876216 588919186 /nfs/dbraw/zinc/91/91/86/588919186.db2.gz ADLBIZDFRVXLJV-UHFFFAOYSA-N 1 2 241.294 1.259 20 0 BDADLO CCC(C)(C)OC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000895392582 583663824 /nfs/dbraw/zinc/66/38/24/583663824.db2.gz QWMYISIRKVGLAV-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CCC(C)(C)OC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000895392582 583663825 /nfs/dbraw/zinc/66/38/25/583663825.db2.gz QWMYISIRKVGLAV-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO Cc1nc([C@@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000895402411 583665400 /nfs/dbraw/zinc/66/54/00/583665400.db2.gz FSXRKAMBLLOOKV-SNVBAGLBSA-N 1 2 230.271 1.767 20 0 BDADLO C[N@H+](C[C@@]1(C)CCCS1)C1CS(=O)(=O)C1 ZINC000895399878 583666116 /nfs/dbraw/zinc/66/61/16/583666116.db2.gz WJRNDAUOQRAVGM-SNVBAGLBSA-N 1 2 249.401 1.001 20 0 BDADLO C[N@@H+](C[C@@]1(C)CCCS1)C1CS(=O)(=O)C1 ZINC000895399878 583666118 /nfs/dbraw/zinc/66/61/18/583666118.db2.gz WJRNDAUOQRAVGM-SNVBAGLBSA-N 1 2 249.401 1.001 20 0 BDADLO CCc1nnc(C[NH2+]C[C@@H]2CC(C)=NO2)s1 ZINC000895428026 583668428 /nfs/dbraw/zinc/66/84/28/583668428.db2.gz FALADHJLLCOVDU-QMMMGPOBSA-N 1 2 240.332 1.355 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CCOCC1 ZINC000895431355 583670135 /nfs/dbraw/zinc/67/01/35/583670135.db2.gz LLVVNSSFOFPWGN-GHMZBOCLSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@@H]1C(F)F)C1CCOCC1 ZINC000895431355 583670138 /nfs/dbraw/zinc/67/01/38/583670138.db2.gz LLVVNSSFOFPWGN-GHMZBOCLSA-N 1 2 249.301 1.767 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC[C@@H]1C(F)F ZINC000895431458 583670828 /nfs/dbraw/zinc/67/08/28/583670828.db2.gz NFPNJDRZWXQLEN-SECBINFHSA-N 1 2 227.258 1.812 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@H]1C(F)F ZINC000895436822 583674619 /nfs/dbraw/zinc/67/46/19/583674619.db2.gz PZXVITGMLVIDII-QMMMGPOBSA-N 1 2 201.220 1.260 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1C ZINC000895460724 583677641 /nfs/dbraw/zinc/67/76/41/583677641.db2.gz TYAAGOMMJIQXKL-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c1C ZINC000895460724 583677643 /nfs/dbraw/zinc/67/76/43/583677643.db2.gz TYAAGOMMJIQXKL-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2nc(F)ccc21 ZINC000857891508 588921589 /nfs/dbraw/zinc/92/15/89/588921589.db2.gz ITKCVDNSYUNVMZ-UHFFFAOYSA-N 1 2 246.245 1.007 20 0 BDADLO CC(C)c1nc(NC2CC(CC(N)=O)C2)cc[nH+]1 ZINC000895542845 583688692 /nfs/dbraw/zinc/68/86/92/583688692.db2.gz QRAGGODKZMJDHQ-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H](C)COC(C)=O ZINC000895596991 583695665 /nfs/dbraw/zinc/69/56/65/583695665.db2.gz JQZNDSHQIAGWMT-ZETCQYMHSA-N 1 2 209.236 1.573 20 0 BDADLO c1cc(C[NH+]2CC(CC3CCOCC3)C2)no1 ZINC000895615343 583696168 /nfs/dbraw/zinc/69/61/68/583696168.db2.gz MZNYONDWIXOJKT-UHFFFAOYSA-N 1 2 236.315 1.923 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857941840 588924495 /nfs/dbraw/zinc/92/44/95/588924495.db2.gz OFARKASKOMAEQA-CDCCAWJDSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ncco1 ZINC000895763611 583722664 /nfs/dbraw/zinc/72/26/64/583722664.db2.gz DIRIQFPWZVAQFM-JFGNBEQYSA-N 1 2 235.331 1.808 20 0 BDADLO CC(=O)c1nc(NC[C@@H]2CC[N@H+]2C)sc1C ZINC000895769927 583724509 /nfs/dbraw/zinc/72/45/09/583724509.db2.gz WCBIJMBKQHONQQ-VIFPVBQESA-N 1 2 239.344 1.770 20 0 BDADLO CC(=O)c1nc(NC[C@@H]2CC[N@@H+]2C)sc1C ZINC000895769927 583724511 /nfs/dbraw/zinc/72/45/11/583724511.db2.gz WCBIJMBKQHONQQ-VIFPVBQESA-N 1 2 239.344 1.770 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncc(C)o1 ZINC000895801655 583731187 /nfs/dbraw/zinc/73/11/87/583731187.db2.gz SAXZSZCBBMIGTE-NSHDSACASA-N 1 2 239.319 1.506 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000895802885 583731565 /nfs/dbraw/zinc/73/15/65/583731565.db2.gz YCWLVIJECFFKBS-UPJWGTAASA-N 1 2 231.295 1.695 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895808484 583732982 /nfs/dbraw/zinc/73/29/82/583732982.db2.gz JDYPJRYDDBYKIP-YIZRAAEISA-N 1 2 215.318 1.176 20 0 BDADLO CC1(C)CC2(CC([NH2+][C@H]3CCOC3=O)C2)CO1 ZINC000895811853 583733066 /nfs/dbraw/zinc/73/30/66/583733066.db2.gz JIQJLXMNYPSTGB-QUNCOHTASA-N 1 2 239.315 1.239 20 0 BDADLO O=C(C=C1CCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963328 588925649 /nfs/dbraw/zinc/92/56/49/588925649.db2.gz UDYUYCCHYLGEOF-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO C[C@H]1COC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000895911748 583745734 /nfs/dbraw/zinc/74/57/34/583745734.db2.gz WGUNFQUIVYUHBZ-GZMMTYOYSA-N 1 2 244.298 1.659 20 0 BDADLO O=C(CCCF)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976052 588925990 /nfs/dbraw/zinc/92/59/90/588925990.db2.gz WMDYBNHTNWZQOH-MRVPVSSYSA-N 1 2 211.240 1.194 20 0 BDADLO Cc1nc(N2CCC[C@H]2c2ncccn2)cc[nH+]1 ZINC000895946556 583749267 /nfs/dbraw/zinc/74/92/67/583749267.db2.gz ZNSOFOVYPSOUOE-NSHDSACASA-N 1 2 241.298 1.917 20 0 BDADLO Cc1cc(N(C)C[C@H](O)c2cccnc2)nc[nH+]1 ZINC000895935469 583749915 /nfs/dbraw/zinc/74/99/15/583749915.db2.gz JKKSXXZRDLNOCM-LBPRGKRZSA-N 1 2 244.298 1.350 20 0 BDADLO CCn1cc[nH+]c1CN1CC(OC(C)C)C1 ZINC000895952491 583751339 /nfs/dbraw/zinc/75/13/39/583751339.db2.gz OMJVDVLUXUYNGY-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO CC(C)OC1CN(Cc2c[nH+]cn2C)C1 ZINC000895952377 583751638 /nfs/dbraw/zinc/75/16/38/583751638.db2.gz MHHKPJONNVEIAJ-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO C[NH+](C)C1(c2nc(Cc3ccccn3)no2)CC1 ZINC000895949762 583751679 /nfs/dbraw/zinc/75/16/79/583751679.db2.gz SOKZXAOYBRNRET-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCO[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857976006 588926470 /nfs/dbraw/zinc/92/64/70/588926470.db2.gz VHELKVNSNIOJRE-PWSUYJOCSA-N 1 2 249.314 1.259 20 0 BDADLO CC(C)OC1C[NH+](Cc2cnn3ccccc23)C1 ZINC000895955876 583752618 /nfs/dbraw/zinc/75/26/18/583752618.db2.gz WSIPAMCGAOVTNN-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1=CCCCC1 ZINC000857977410 588926695 /nfs/dbraw/zinc/92/66/95/588926695.db2.gz DMECSCUXFSTHCT-LLVKDONJSA-N 1 2 231.299 1.945 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980165 588927194 /nfs/dbraw/zinc/92/71/94/588927194.db2.gz JGQRKASFHUKJOO-VHSXEESVSA-N 1 2 237.303 1.259 20 0 BDADLO CC(F)(F)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978965 588927598 /nfs/dbraw/zinc/92/75/98/588927598.db2.gz MIPWNWYPLAQEFX-SSDOTTSWSA-N 1 2 229.230 1.489 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980306 588927664 /nfs/dbraw/zinc/92/76/64/588927664.db2.gz XDBSVXZEGOYLFB-UWVGGRQHSA-N 1 2 221.304 1.880 20 0 BDADLO CCCSC[C@@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000896043292 583766832 /nfs/dbraw/zinc/76/68/32/583766832.db2.gz ORZYFLYFLSIQFL-BBBLOLIVSA-N 1 2 249.376 1.030 20 0 BDADLO Cc1ccn(C)c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982101 588927744 /nfs/dbraw/zinc/92/77/44/588927744.db2.gz MWCYGIJBFOYKSJ-JTQLQIEISA-N 1 2 244.298 1.405 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CCCC23CC3)c1 ZINC000896079432 583769334 /nfs/dbraw/zinc/76/93/34/583769334.db2.gz LBBPGEORCHRNSQ-NSHDSACASA-N 1 2 248.330 1.552 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)co1 ZINC000857981205 588927999 /nfs/dbraw/zinc/92/79/99/588927999.db2.gz BRAUWKYAPJGJPE-JTQLQIEISA-N 1 2 231.255 1.659 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982734 588928211 /nfs/dbraw/zinc/92/82/11/588928211.db2.gz RASWGASVRMCQDW-WPRPVWTQSA-N 1 2 225.267 1.438 20 0 BDADLO CO[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)C ZINC000857981398 588928242 /nfs/dbraw/zinc/92/82/42/588928242.db2.gz CSROPUHOZJJNLV-MWLCHTKSSA-N 1 2 237.303 1.115 20 0 BDADLO C[NH+](C)C1(c2nc(C[C@@H]3CCCO3)no2)CC1 ZINC000896169069 583777187 /nfs/dbraw/zinc/77/71/87/583777187.db2.gz CNNZSMAUNSELGE-VIFPVBQESA-N 1 2 237.303 1.342 20 0 BDADLO Cc1nc(C(=O)N[C@@H]2CCn3c[nH+]cc32)co1 ZINC000857983213 588928804 /nfs/dbraw/zinc/92/88/04/588928804.db2.gz XMBXNTWFYYKMGN-MRVPVSSYSA-N 1 2 232.243 1.054 20 0 BDADLO O=C(CC[C@@H]1CCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857984270 588928849 /nfs/dbraw/zinc/92/88/49/588928849.db2.gz APDFVPJOWSMAEX-QWRGUYRKSA-N 1 2 249.314 1.403 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccco1 ZINC000857985801 588929146 /nfs/dbraw/zinc/92/91/46/588929146.db2.gz JZLWWXLLTDJHOU-ZJUUUORDSA-N 1 2 245.282 1.841 20 0 BDADLO CCOC(=O)[C@@H]1CCN(c2cc[nH+]c(CC)n2)C1 ZINC000896265662 583787970 /nfs/dbraw/zinc/78/79/70/583787970.db2.gz OSHMERAUHSNFGV-SNVBAGLBSA-N 1 2 249.314 1.428 20 0 BDADLO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986802 588929449 /nfs/dbraw/zinc/92/94/49/588929449.db2.gz XAQBSEWRQAOUJK-OALRPVAKSA-N 1 2 231.299 1.800 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)on1 ZINC000857989674 588929733 /nfs/dbraw/zinc/92/97/33/588929733.db2.gz SJMNTHAQAAUQNO-MRVPVSSYSA-N 1 2 232.243 1.054 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccccn1 ZINC000857989451 588929808 /nfs/dbraw/zinc/92/98/08/588929808.db2.gz HQKOHQNNBBZOFS-SECBINFHSA-N 1 2 228.255 1.153 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991041 588930126 /nfs/dbraw/zinc/93/01/26/588930126.db2.gz YZKIIVUDBZOHQY-SNVBAGLBSA-N 1 2 221.304 1.880 20 0 BDADLO C=C/C=C\CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000896438746 583802502 /nfs/dbraw/zinc/80/25/02/583802502.db2.gz TUBBVUWCPZDBFC-PLNGDYQASA-N 1 2 234.303 1.352 20 0 BDADLO Cc1[nH+]cnc(NCCO[C@@H]2CCOC2)c1C ZINC000896473247 583803014 /nfs/dbraw/zinc/80/30/14/583803014.db2.gz JZHHMWXBHYHQCM-LLVKDONJSA-N 1 2 237.303 1.311 20 0 BDADLO CCOCCOCCNc1cc(CO)cc[nH+]1 ZINC000896482578 583805950 /nfs/dbraw/zinc/80/59/50/583805950.db2.gz ZETSPKMVUJWMPP-UHFFFAOYSA-N 1 2 240.303 1.039 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnn(C)c2Cl)CCO1 ZINC000896576733 583814000 /nfs/dbraw/zinc/81/40/00/583814000.db2.gz DRVRQVUAODKSQL-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnn(C)c2Cl)CCO1 ZINC000896576733 583814002 /nfs/dbraw/zinc/81/40/02/583814002.db2.gz DRVRQVUAODKSQL-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO COCC(C)(C)c1noc(Cn2cc[nH+]c2)n1 ZINC000896590332 583816016 /nfs/dbraw/zinc/81/60/16/583816016.db2.gz XHTRSKORBYBPAE-UHFFFAOYSA-N 1 2 236.275 1.238 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2CC2CC2)cc[nH+]1 ZINC000896639464 583819935 /nfs/dbraw/zinc/81/99/35/583819935.db2.gz UUGMSTPZZDYFSL-LBPRGKRZSA-N 1 2 233.315 1.790 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nccs1)C2 ZINC000896650230 583820723 /nfs/dbraw/zinc/82/07/23/583820723.db2.gz DKFVSPSNLOQBLA-UHFFFAOYSA-N 1 2 234.328 1.922 20 0 BDADLO CCC1(CC)CNC(=O)[C@H]1Nc1cc(C)[nH+]cn1 ZINC000896672505 583821751 /nfs/dbraw/zinc/82/17/51/583821751.db2.gz CWLIZKVQOAOZHZ-LLVKDONJSA-N 1 2 248.330 1.502 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](CO)C2)nc(CC)[nH+]1 ZINC000896695474 583824631 /nfs/dbraw/zinc/82/46/31/583824631.db2.gz UFMKTJWAHPGIKH-HOMQSWHASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(N(C)Cc2cccc(=O)[nH]2)nc[nH+]1 ZINC000896732470 583827833 /nfs/dbraw/zinc/82/78/33/583827833.db2.gz KEOOONZDOXCHKE-UHFFFAOYSA-N 1 2 230.271 1.522 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000896800011 583835102 /nfs/dbraw/zinc/83/51/02/583835102.db2.gz FKNHPOYDFOLGMS-QWHCGFSZSA-N 1 2 248.326 1.943 20 0 BDADLO OC1(C2(CNc3cc[nH+]cc3F)CC2)CCC1 ZINC000896811134 583835577 /nfs/dbraw/zinc/83/55/77/583835577.db2.gz DRJHWQNLCBCEMG-UHFFFAOYSA-N 1 2 236.290 1.750 20 0 BDADLO Cn1nccc1[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000896830056 583837882 /nfs/dbraw/zinc/83/78/82/583837882.db2.gz LJFUCXSCWFYDIQ-LBPRGKRZSA-N 1 2 244.298 1.393 20 0 BDADLO CONC(=O)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000896925101 583857952 /nfs/dbraw/zinc/85/79/52/583857952.db2.gz UNLDIGRXKAFPMI-NSHDSACASA-N 1 2 236.315 1.366 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000896925873 583858091 /nfs/dbraw/zinc/85/80/91/583858091.db2.gz CJHYGJXETXMXMY-VIFPVBQESA-N 1 2 242.344 1.336 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000896926975 583858667 /nfs/dbraw/zinc/85/86/67/583858667.db2.gz MSUSMNJOQLCHNY-HBIQZDMRSA-N 1 2 240.347 1.468 20 0 BDADLO CCCC[C@@H](C)[C@H](C)[NH2+]CC(=O)NOC ZINC000896927346 583859688 /nfs/dbraw/zinc/85/96/88/583859688.db2.gz QDDFCJAFMJGLIY-ZJUUUORDSA-N 1 2 216.325 1.468 20 0 BDADLO CC[C@H](Cc1cccs1)[NH2+]CC(=O)NOC ZINC000896926728 583859815 /nfs/dbraw/zinc/85/98/15/583859815.db2.gz LSWAIZVINLRLGW-SECBINFHSA-N 1 2 242.344 1.336 20 0 BDADLO CCN(CCC(=O)NC)c1[nH+]cccc1OC ZINC000896977060 583865550 /nfs/dbraw/zinc/86/55/50/583865550.db2.gz GOIUNGATKJKICB-UHFFFAOYSA-N 1 2 237.303 1.053 20 0 BDADLO Fc1c[nH+]ccc1N1CCC[C@H]1C1OCCO1 ZINC000897003655 583868989 /nfs/dbraw/zinc/86/89/89/583868989.db2.gz FAQVSZIWEYQURI-NSHDSACASA-N 1 2 238.262 1.562 20 0 BDADLO CCc1nc(N[C@@H]2CC23CC(O)C3)cc[nH+]1 ZINC000897086571 583878482 /nfs/dbraw/zinc/87/84/82/583878482.db2.gz GDHRNVHDFHXMHS-NBBOBHDQSA-N 1 2 219.288 1.364 20 0 BDADLO OC[C@H]1CCN1c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000897119726 583882517 /nfs/dbraw/zinc/88/25/17/583882517.db2.gz GQSXLHYDDBKJBZ-LLVKDONJSA-N 1 2 245.326 1.802 20 0 BDADLO CCc1nc(N(C)[C@@H]2CC[C@@H]2OC)cc[nH+]1 ZINC000897140595 583883111 /nfs/dbraw/zinc/88/31/11/583883111.db2.gz ZLCBJXLOMZNQOV-ZJUUUORDSA-N 1 2 221.304 1.653 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1cc(N(C)C)[nH+]cn1 ZINC000897142566 583883743 /nfs/dbraw/zinc/88/37/43/583883743.db2.gz OJRCXMFFDOGCGR-NXEZZACHSA-N 1 2 236.319 1.156 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1cc(N(C)C)nc[nH+]1 ZINC000897142566 583883745 /nfs/dbraw/zinc/88/37/45/583883745.db2.gz OJRCXMFFDOGCGR-NXEZZACHSA-N 1 2 236.319 1.156 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897177175 583890162 /nfs/dbraw/zinc/89/01/62/583890162.db2.gz KQJWLRMVIKEQFY-XHNCKOQMSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897177175 583890163 /nfs/dbraw/zinc/89/01/63/583890163.db2.gz KQJWLRMVIKEQFY-XHNCKOQMSA-N 1 2 234.303 1.668 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C=C(C1CC1)C1CC1 ZINC000728544854 583896458 /nfs/dbraw/zinc/89/64/58/583896458.db2.gz MIJCXELLCFRWTG-UHFFFAOYSA-N 1 2 245.326 1.783 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@H](O)[C@H](F)C2)[nH+]c1 ZINC000897378515 583946187 /nfs/dbraw/zinc/94/61/87/583946187.db2.gz CNRLVPIKDLWQIB-GDPRMGEGSA-N 1 2 240.278 1.044 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@H](O)[C@@H](F)C2)[nH+]c1 ZINC000897378520 583946575 /nfs/dbraw/zinc/94/65/75/583946575.db2.gz CNRLVPIKDLWQIB-LSJOCFKGSA-N 1 2 240.278 1.044 20 0 BDADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000799347951 583959177 /nfs/dbraw/zinc/95/91/77/583959177.db2.gz SVODKWUYZJIQQC-LDYMZIIASA-N 1 2 249.314 1.166 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC(F)(F)CC1 ZINC000862713457 583968000 /nfs/dbraw/zinc/96/80/00/583968000.db2.gz KUCYKECYBWCRSI-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO CCC(F)(F)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000862899721 583972009 /nfs/dbraw/zinc/97/20/09/583972009.db2.gz VLKQDHVKWCLZAK-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO CCc1nc(N[C@H]2COC[C@H]2C2CC2)cc[nH+]1 ZINC000897451447 583985917 /nfs/dbraw/zinc/98/59/17/583985917.db2.gz NAVVYEPDNACULF-QWRGUYRKSA-N 1 2 233.315 1.876 20 0 BDADLO Cc1nc(N[C@@H]2COC[C@H]2C2CC2)cc[nH+]1 ZINC000897446285 583986339 /nfs/dbraw/zinc/98/63/39/583986339.db2.gz DJUJLBRNPPLSCA-WDEREUQCSA-N 1 2 219.288 1.622 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@@H]1C[C@@H]1C ZINC000863457069 583991865 /nfs/dbraw/zinc/99/18/65/583991865.db2.gz AAQPEFYYCMGBRD-CBAPKCEASA-N 1 2 227.308 1.056 20 0 BDADLO CN(C)c1cc(NC/C=C/Cl)[nH+]cn1 ZINC000897501178 583997775 /nfs/dbraw/zinc/99/77/75/583997775.db2.gz OOSXOGJRESRJHL-ONEGZZNKSA-N 1 2 212.684 1.707 20 0 BDADLO CN(C)c1cc(NC/C=C/Cl)nc[nH+]1 ZINC000897501178 583997776 /nfs/dbraw/zinc/99/77/76/583997776.db2.gz OOSXOGJRESRJHL-ONEGZZNKSA-N 1 2 212.684 1.707 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccnn1C1CC1 ZINC000889685920 584013314 /nfs/dbraw/zinc/01/33/14/584013314.db2.gz FXZNRYMGMJGOLB-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccnn1C1CC1 ZINC000889685920 584013315 /nfs/dbraw/zinc/01/33/15/584013315.db2.gz FXZNRYMGMJGOLB-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO COC(=O)C[C@@H]1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000897544843 584015846 /nfs/dbraw/zinc/01/58/46/584015846.db2.gz XYLOOXUWYQNZRW-MNOVXSKESA-N 1 2 249.314 1.929 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@H]1O ZINC000897680630 584038630 /nfs/dbraw/zinc/03/86/30/584038630.db2.gz LAUDAIYCSAHZEF-JVXZTZIISA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@H]1O ZINC000897680630 584038631 /nfs/dbraw/zinc/03/86/31/584038631.db2.gz LAUDAIYCSAHZEF-JVXZTZIISA-N 1 2 245.244 1.917 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1O ZINC000897681035 584039203 /nfs/dbraw/zinc/03/92/03/584039203.db2.gz XZXAUEDXAPOSGV-HTRCEHHLSA-N 1 2 249.236 1.241 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1O ZINC000897681035 584039204 /nfs/dbraw/zinc/03/92/04/584039204.db2.gz XZXAUEDXAPOSGV-HTRCEHHLSA-N 1 2 249.236 1.241 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(C2CC2)CC1 ZINC000897729462 584045919 /nfs/dbraw/zinc/04/59/19/584045919.db2.gz BAELOHRMNSYLEN-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO CCC[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C(=O)OC ZINC000897833870 584052762 /nfs/dbraw/zinc/05/27/62/584052762.db2.gz BCNRCDGKLSFBPW-SNVBAGLBSA-N 1 2 238.287 1.219 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C(=O)OC ZINC000897834522 584052806 /nfs/dbraw/zinc/05/28/06/584052806.db2.gz SCBWCDGQZIWONE-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)C(=O)OC ZINC000897834659 584052989 /nfs/dbraw/zinc/05/29/89/584052989.db2.gz VCXYNMNCEFCTOA-KXUCPTDWSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](OC)[C@H](C)CC)C(=O)OC ZINC000897834270 584053051 /nfs/dbraw/zinc/05/30/51/584053051.db2.gz LFJRUVJQJFWZHI-IJLUTSLNSA-N 1 2 245.363 1.979 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)C(=O)OC ZINC000897833783 584053114 /nfs/dbraw/zinc/05/31/14/584053114.db2.gz YEPQWUXUOWCNQX-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@@H]2C)c[nH+]1 ZINC000897852550 584054538 /nfs/dbraw/zinc/05/45/38/584054538.db2.gz FQDDECVBSMPWOF-ONGXEEELSA-N 1 2 235.331 1.793 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000898045390 584073904 /nfs/dbraw/zinc/07/39/04/584073904.db2.gz LPENQLLWUJQDMX-UHFFFAOYSA-N 1 2 247.346 1.661 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ccccc1F ZINC000898028655 584077003 /nfs/dbraw/zinc/07/70/03/584077003.db2.gz WAPQXMIVRUVGHO-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO CCn1cc(C[NH2+]Cc2cn(C)cn2)c(C)n1 ZINC000898042807 584080400 /nfs/dbraw/zinc/08/04/00/584080400.db2.gz YEHDLDBIVDHBMG-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000898131878 584084694 /nfs/dbraw/zinc/08/46/94/584084694.db2.gz CFDBSBZMUOFYDO-GFCCVEGCSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000898131878 584084697 /nfs/dbraw/zinc/08/46/97/584084697.db2.gz CFDBSBZMUOFYDO-GFCCVEGCSA-N 1 2 249.314 1.938 20 0 BDADLO Cn1ncc(C[NH+]2CC(Cc3ccoc3)C2)n1 ZINC000898159815 584087681 /nfs/dbraw/zinc/08/76/81/584087681.db2.gz IBDYTMCNDMYLDM-UHFFFAOYSA-N 1 2 232.287 1.083 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898182124 584093458 /nfs/dbraw/zinc/09/34/58/584093458.db2.gz ATPHPTHHCIJBAH-MNOVXSKESA-N 1 2 213.252 1.493 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898182124 584093459 /nfs/dbraw/zinc/09/34/59/584093459.db2.gz ATPHPTHHCIJBAH-MNOVXSKESA-N 1 2 213.252 1.493 20 0 BDADLO Cc1c(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)ccnc1F ZINC000898189534 584094726 /nfs/dbraw/zinc/09/47/26/584094726.db2.gz VFAIFPYACCTKEC-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)ccnc1F ZINC000898189534 584094728 /nfs/dbraw/zinc/09/47/28/584094728.db2.gz VFAIFPYACCTKEC-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cn1 ZINC000898194418 584095907 /nfs/dbraw/zinc/09/59/07/584095907.db2.gz YUVNKKPSEZIEHJ-RYUDHWBXSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cn1 ZINC000898194418 584095908 /nfs/dbraw/zinc/09/59/08/584095908.db2.gz YUVNKKPSEZIEHJ-RYUDHWBXSA-N 1 2 241.310 1.369 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898195296 584096918 /nfs/dbraw/zinc/09/69/18/584096918.db2.gz VXFCVAWFOJMGMP-GHMZBOCLSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898195296 584096920 /nfs/dbraw/zinc/09/69/20/584096920.db2.gz VXFCVAWFOJMGMP-GHMZBOCLSA-N 1 2 213.252 1.493 20 0 BDADLO Nc1cc(CN2CCO[C@H](C(F)F)C2)cc[nH+]1 ZINC000801562777 584127821 /nfs/dbraw/zinc/12/78/21/584127821.db2.gz FDYOJTSBMHNHAI-VIFPVBQESA-N 1 2 243.257 1.130 20 0 BDADLO CC(C)n1ncnc1C[NH2+]C/C=C/Cl ZINC000898428210 584133168 /nfs/dbraw/zinc/13/31/68/584133168.db2.gz HNERZMKOAXSMEC-ONEGZZNKSA-N 1 2 214.700 1.701 20 0 BDADLO CC1CC(C(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC000898494398 584140229 /nfs/dbraw/zinc/14/02/29/584140229.db2.gz ALZFEUKEILHUBB-MCIGGMRASA-N 1 2 242.338 1.583 20 0 BDADLO CC1CC(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898494398 584140231 /nfs/dbraw/zinc/14/02/31/584140231.db2.gz ALZFEUKEILHUBB-MCIGGMRASA-N 1 2 242.338 1.583 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@]23C[C@H]2CCCC3)c1 ZINC000898615632 584147240 /nfs/dbraw/zinc/14/72/40/584147240.db2.gz NWBHZHZATRNOQM-ZWNOBZJWSA-N 1 2 248.330 1.552 20 0 BDADLO C/C=C\CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000858499795 588960687 /nfs/dbraw/zinc/96/06/87/588960687.db2.gz NZADEECRGPNQPI-PKRMOACSSA-N 1 2 220.276 1.203 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000898880422 584162344 /nfs/dbraw/zinc/16/23/44/584162344.db2.gz RDTRLXYOJUHEFN-GHMZBOCLSA-N 1 2 248.330 1.906 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884407 584163844 /nfs/dbraw/zinc/16/38/44/584163844.db2.gz QJBDJMKVBYPDJQ-VHSXEESVSA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898893532 584164934 /nfs/dbraw/zinc/16/49/34/584164934.db2.gz MABVKKGJWGLKAR-UHFFFAOYSA-N 1 2 223.320 1.781 20 0 BDADLO Cc1c[nH]cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899966 584164983 /nfs/dbraw/zinc/16/49/83/584164983.db2.gz UHGPCDKEEYYADZ-UHFFFAOYSA-N 1 2 246.314 1.685 20 0 BDADLO CC(C)(CNC(=O)c1ccccn1)n1cc[nH+]c1 ZINC000898893441 584165205 /nfs/dbraw/zinc/16/52/05/584165205.db2.gz KYQKFKBYBORZMY-UHFFFAOYSA-N 1 2 244.298 1.443 20 0 BDADLO Cc1ccoc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899143 584165336 /nfs/dbraw/zinc/16/53/36/584165336.db2.gz IKYUYWGCSBVVJE-UHFFFAOYSA-N 1 2 247.298 1.950 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](CF)C1 ZINC000899205175 584182087 /nfs/dbraw/zinc/18/20/87/584182087.db2.gz KYLBMCCKDXEANZ-IVZWLZJFSA-N 1 2 237.278 1.331 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](CF)C1 ZINC000899205175 584182090 /nfs/dbraw/zinc/18/20/90/584182090.db2.gz KYLBMCCKDXEANZ-IVZWLZJFSA-N 1 2 237.278 1.331 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000899416721 584214885 /nfs/dbraw/zinc/21/48/85/584214885.db2.gz RRKHRBBEGXNOKF-BBHBSTQDSA-N 1 2 233.315 1.740 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000899811862 584238874 /nfs/dbraw/zinc/23/88/74/584238874.db2.gz TVWOFEXSCOMJQW-SNVBAGLBSA-N 1 2 239.294 1.264 20 0 BDADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000899981942 584262050 /nfs/dbraw/zinc/26/20/50/584262050.db2.gz FDWRHWUTVXMNMK-SECBINFHSA-N 1 2 219.288 1.408 20 0 BDADLO CCOc1ncccc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900185151 584284158 /nfs/dbraw/zinc/28/41/58/584284158.db2.gz AKCYKFRZABOLHJ-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCOc1ncccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900185151 584284159 /nfs/dbraw/zinc/28/41/59/584284159.db2.gz AKCYKFRZABOLHJ-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000900214210 584286465 /nfs/dbraw/zinc/28/64/65/584286465.db2.gz BPXRMAIIESEBPU-BZJXQOFCSA-N 1 2 227.695 1.530 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1Cc2ccccc21 ZINC000900267488 584290212 /nfs/dbraw/zinc/29/02/12/584290212.db2.gz HAZZMMVLDLXKPW-NSHDSACASA-N 1 2 241.294 1.408 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1Cc2ccccc21 ZINC000900267488 584290213 /nfs/dbraw/zinc/29/02/13/584290213.db2.gz HAZZMMVLDLXKPW-NSHDSACASA-N 1 2 241.294 1.408 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)CC1COC1 ZINC000900323753 584294912 /nfs/dbraw/zinc/29/49/12/584294912.db2.gz ZTVVUTSWAFRVTM-UHFFFAOYSA-N 1 2 235.287 1.123 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900363515 584296406 /nfs/dbraw/zinc/29/64/06/584296406.db2.gz BMWGEPKEXIBTDQ-IUCAKERBSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900363515 584296407 /nfs/dbraw/zinc/29/64/07/584296407.db2.gz BMWGEPKEXIBTDQ-IUCAKERBSA-N 1 2 209.293 1.503 20 0 BDADLO C[C@H]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900346582 584296457 /nfs/dbraw/zinc/29/64/57/584296457.db2.gz KJYJVZRLTNBVBT-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCC[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900346582 584296458 /nfs/dbraw/zinc/29/64/58/584296458.db2.gz KJYJVZRLTNBVBT-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000900368241 584297609 /nfs/dbraw/zinc/29/76/09/584297609.db2.gz BGYRHOUQXDHWLL-QWHCGFSZSA-N 1 2 241.294 1.625 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000900368241 584297611 /nfs/dbraw/zinc/29/76/11/584297611.db2.gz BGYRHOUQXDHWLL-QWHCGFSZSA-N 1 2 241.294 1.625 20 0 BDADLO CCN(CCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900453980 584313204 /nfs/dbraw/zinc/31/32/04/584313204.db2.gz QOLVVULHBSSZJL-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC1COC1 ZINC000900454243 584313303 /nfs/dbraw/zinc/31/33/03/584313303.db2.gz DVTWCCFZRLJRFN-UHFFFAOYSA-N 1 2 222.244 1.065 20 0 BDADLO Cc1cn2cc(NC(=O)CCF)ccc2[nH+]1 ZINC000900490839 584317059 /nfs/dbraw/zinc/31/70/59/584317059.db2.gz BRRVKGQSAZWTEJ-UHFFFAOYSA-N 1 2 221.235 1.941 20 0 BDADLO CCc1cc(N[C@@H]2CC=C(C(=O)OC)C2)nc[nH+]1 ZINC000858689673 588974535 /nfs/dbraw/zinc/97/45/35/588974535.db2.gz ITYVBEHEBNSYFL-LLVKDONJSA-N 1 2 247.298 1.713 20 0 BDADLO COC(=O)C1=CC[C@@H](Nc2[nH+]cccc2OC)C1 ZINC000858692426 588974827 /nfs/dbraw/zinc/97/48/27/588974827.db2.gz VXFATBDMNYTTIA-SNVBAGLBSA-N 1 2 248.282 1.764 20 0 BDADLO CCOC(=O)C1=CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000858732933 588975453 /nfs/dbraw/zinc/97/54/53/588975453.db2.gz GBUKIBFHWDKANN-LLVKDONJSA-N 1 2 247.298 1.849 20 0 BDADLO CC[C@H](O)[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000900617012 584332288 /nfs/dbraw/zinc/33/22/88/584332288.db2.gz NNWVBWZKZJSGDI-KOLCDFICSA-N 1 2 222.288 1.157 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900619680 584333181 /nfs/dbraw/zinc/33/31/81/584333181.db2.gz VKOADKZWOTUTRR-FOQNGQEVSA-N 1 2 234.299 1.468 20 0 BDADLO CCCCN(CCOC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900645422 584338255 /nfs/dbraw/zinc/33/82/55/584338255.db2.gz YKARCJOSXJRGKY-UHFFFAOYSA-N 1 2 239.319 1.227 20 0 BDADLO O=C(CCF)NCCCCn1cc[nH+]c1 ZINC000900693844 584338543 /nfs/dbraw/zinc/33/85/43/584338543.db2.gz BVAZVPYTWRVDJW-UHFFFAOYSA-N 1 2 213.256 1.139 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900676679 584340124 /nfs/dbraw/zinc/34/01/24/584340124.db2.gz JFXTUNGGCUCORR-SNVBAGLBSA-N 1 2 233.315 1.656 20 0 BDADLO C[C@]1(CNC(=O)CNc2cccc[nH+]2)CCOC1 ZINC000900701646 584342363 /nfs/dbraw/zinc/34/23/63/584342363.db2.gz ZSYVAHNHXBCVAI-CYBMUJFWSA-N 1 2 249.314 1.036 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1CCSCC1 ZINC000900706802 584343448 /nfs/dbraw/zinc/34/34/48/584343448.db2.gz ZAHSWKIPQWAUOO-UHFFFAOYSA-N 1 2 239.344 1.212 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC1CCSCC1 ZINC000900706802 584343449 /nfs/dbraw/zinc/34/34/49/584343449.db2.gz ZAHSWKIPQWAUOO-UHFFFAOYSA-N 1 2 239.344 1.212 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC=CCC1 ZINC000900763464 584345721 /nfs/dbraw/zinc/34/57/21/584345721.db2.gz KBQJOYUODRBRAJ-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC=CCC1 ZINC000900763464 584345722 /nfs/dbraw/zinc/34/57/22/584345722.db2.gz KBQJOYUODRBRAJ-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO C[C@@H]1SCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000900758667 584345984 /nfs/dbraw/zinc/34/59/84/584345984.db2.gz WJICKNDAPXUIPD-IUCAKERBSA-N 1 2 239.344 1.305 20 0 BDADLO O=C(CC(F)(F)C(F)F)NCc1c[nH+]c[nH]1 ZINC000900781508 584350035 /nfs/dbraw/zinc/35/00/35/584350035.db2.gz SDVPVJTVQGMMMM-UHFFFAOYSA-N 1 2 239.172 1.316 20 0 BDADLO O=C(CC(F)(F)C(F)F)NCc1c[nH]c[nH+]1 ZINC000900781508 584350037 /nfs/dbraw/zinc/35/00/37/584350037.db2.gz SDVPVJTVQGMMMM-UHFFFAOYSA-N 1 2 239.172 1.316 20 0 BDADLO CSCC[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900765084 584353617 /nfs/dbraw/zinc/35/36/17/584353617.db2.gz UXSADQRWKPAFLT-SECBINFHSA-N 1 2 241.360 1.552 20 0 BDADLO CC(C)c1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000858815115 588977047 /nfs/dbraw/zinc/97/70/47/588977047.db2.gz KTNUXNOFBXKVFQ-AOOOYVTPSA-N 1 2 248.330 1.300 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000900896827 584362313 /nfs/dbraw/zinc/36/23/13/584362313.db2.gz YGOVLWWJDJGXNN-IUCAKERBSA-N 1 2 207.277 1.067 20 0 BDADLO C/C=C/[C@@H](O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900981353 584372648 /nfs/dbraw/zinc/37/26/48/584372648.db2.gz ASXHTUMSNKSSHC-QAVQXKDTSA-N 1 2 249.314 1.053 20 0 BDADLO C/C=C/[C@@H](O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900981353 584372650 /nfs/dbraw/zinc/37/26/50/584372650.db2.gz ASXHTUMSNKSSHC-QAVQXKDTSA-N 1 2 249.314 1.053 20 0 BDADLO O=C(CCF)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900981347 584372741 /nfs/dbraw/zinc/37/27/41/584372741.db2.gz AQMBJVMGFUHHEO-UHFFFAOYSA-N 1 2 225.267 1.475 20 0 BDADLO O=C(CCF)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900981347 584372743 /nfs/dbraw/zinc/37/27/43/584372743.db2.gz AQMBJVMGFUHHEO-UHFFFAOYSA-N 1 2 225.267 1.475 20 0 BDADLO C/C=C/C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901003523 584373647 /nfs/dbraw/zinc/37/36/47/584373647.db2.gz YUKPJAVJHFFQDS-DEQVHDEQSA-N 1 2 219.288 1.775 20 0 BDADLO Cc1cc(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)no1 ZINC000900998547 584374853 /nfs/dbraw/zinc/37/48/53/584374853.db2.gz VKBGERCEDSCWRI-UHFFFAOYSA-N 1 2 248.286 1.182 20 0 BDADLO C[C@@H]1COCCCN1C(=O)CNc1cccc[nH+]1 ZINC000901153547 584391604 /nfs/dbraw/zinc/39/16/04/584391604.db2.gz XJEDTOCUVMJZGL-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@H]1CCOCCN1C(=O)CNc1cccc[nH+]1 ZINC000901328905 584424039 /nfs/dbraw/zinc/42/40/39/584424039.db2.gz IZQZPKYDXACUQE-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO c1c(CCC[NH+]2CCOCC2)onc1C1CC1 ZINC000901396554 584438568 /nfs/dbraw/zinc/43/85/68/584438568.db2.gz OIDPUDJINWNDBK-UHFFFAOYSA-N 1 2 236.315 1.817 20 0 BDADLO CCO[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000901416760 584441263 /nfs/dbraw/zinc/44/12/63/584441263.db2.gz UVMQQSLMQUBUQD-ZETCQYMHSA-N 1 2 213.306 1.842 20 0 BDADLO Cc1cc(N)nc(SCC(=O)[C@@H]2C[C@H]2C)[nH+]1 ZINC000901415199 584441646 /nfs/dbraw/zinc/44/16/46/584441646.db2.gz GAQALRALCIGKLG-HTRCEHHLSA-N 1 2 237.328 1.684 20 0 BDADLO CO[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000901447378 584447268 /nfs/dbraw/zinc/44/72/68/584447268.db2.gz NRXIUSZRHPRKHH-LURJTMIESA-N 1 2 224.289 1.448 20 0 BDADLO CCn1cc(Cn2c[nH+]c(C(C)(C)C)c2)nn1 ZINC000901585427 584467674 /nfs/dbraw/zinc/46/76/74/584467674.db2.gz BLWTWMQVLUSYGE-UHFFFAOYSA-N 1 2 233.319 1.840 20 0 BDADLO Cc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)[O-])c[nH+]1 ZINC000901980578 584511997 /nfs/dbraw/zinc/51/19/97/584511997.db2.gz PDIFRWMOGNYTIE-NSHDSACASA-N 1 2 236.315 1.728 20 0 BDADLO Cc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)[O-])c[nH+]1 ZINC000901980578 584511999 /nfs/dbraw/zinc/51/19/99/584511999.db2.gz PDIFRWMOGNYTIE-NSHDSACASA-N 1 2 236.315 1.728 20 0 BDADLO O=C1c2ccccc2CN1C[NH+]1CCSCC1 ZINC000902055156 584518212 /nfs/dbraw/zinc/51/82/12/584518212.db2.gz LSNYSWVXMDRNLH-UHFFFAOYSA-N 1 2 248.351 1.649 20 0 BDADLO Cc1[nH]c(CN=c2nc[nH]n2C(C)(C)C)[nH+]c1C ZINC000902086867 584524648 /nfs/dbraw/zinc/52/46/48/584524648.db2.gz XKIVFDZUROGIRZ-UHFFFAOYSA-N 1 2 248.334 1.407 20 0 BDADLO CCc1nnc(NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000902100274 584525588 /nfs/dbraw/zinc/52/55/88/584525588.db2.gz LECRGOAKHHTPKJ-UHFFFAOYSA-N 1 2 221.264 1.584 20 0 BDADLO COCc1cc(CNc2cc[nH+]c(C)n2)no1 ZINC000902124067 584529014 /nfs/dbraw/zinc/52/90/14/584529014.db2.gz AJVSSNUIGOWPMQ-UHFFFAOYSA-N 1 2 234.259 1.532 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902168969 584534820 /nfs/dbraw/zinc/53/48/20/584534820.db2.gz BINCKBHRRZHGDK-OSMZGAPFSA-N 1 2 242.322 1.999 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902168969 584534821 /nfs/dbraw/zinc/53/48/21/584534821.db2.gz BINCKBHRRZHGDK-OSMZGAPFSA-N 1 2 242.322 1.999 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCOC1CC1 ZINC000902271975 584549894 /nfs/dbraw/zinc/54/98/94/584549894.db2.gz BOTLPXWJQCEBRN-JTQLQIEISA-N 1 2 244.335 1.725 20 0 BDADLO Nc1ccc(CO[C@@H]2CCCc3c[nH]nc32)c[nH+]1 ZINC000902355497 584569514 /nfs/dbraw/zinc/56/95/14/584569514.db2.gz ILXMVYYYIPRSSZ-LLVKDONJSA-N 1 2 244.298 1.981 20 0 BDADLO NC(=[NH+]OC1CC2(CCC2)C1)[C@@H]1CCCO1 ZINC000902380516 584576085 /nfs/dbraw/zinc/57/60/85/584576085.db2.gz HNMCIKAFYGNVQR-JTQLQIEISA-N 1 2 224.304 1.997 20 0 BDADLO CC[C@@H]1C[C@H]1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000902381204 584576569 /nfs/dbraw/zinc/57/65/69/584576569.db2.gz LXHXGYZSGJHJIQ-KXUCPTDWSA-N 1 2 212.293 1.710 20 0 BDADLO NC(=[NH+]OCCc1ccns1)[C@@H]1CCCO1 ZINC000902380600 584576998 /nfs/dbraw/zinc/57/69/98/584576998.db2.gz IHTZGVANQAQWPB-VIFPVBQESA-N 1 2 241.316 1.363 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(CO)c(C)n1 ZINC000902500075 584620103 /nfs/dbraw/zinc/62/01/03/584620103.db2.gz STXYQHSOBQFZPK-UHFFFAOYSA-N 1 2 233.271 1.136 20 0 BDADLO Cc1nonc1CSCCn1cc[nH+]c1 ZINC000902530059 584633307 /nfs/dbraw/zinc/63/33/07/584633307.db2.gz ZSIYJGBOJVLKNY-UHFFFAOYSA-N 1 2 224.289 1.508 20 0 BDADLO Cn1c[nH+]cc1Cn1cc2c(n1)C(=O)CCC2 ZINC000902548688 584635288 /nfs/dbraw/zinc/63/52/88/584635288.db2.gz SBPQFANAFOBHAB-UHFFFAOYSA-N 1 2 230.271 1.184 20 0 BDADLO COC(=O)c1nn(Cc2ccc[nH+]c2C)cc1C ZINC000902601376 584641176 /nfs/dbraw/zinc/64/11/76/584641176.db2.gz QQMGATKSNWHABY-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO c1cn(C2CC2)c(CNc2nncn2C2CC2)[nH+]1 ZINC000902657965 584650437 /nfs/dbraw/zinc/65/04/37/584650437.db2.gz LUPYQDHEXUZNKX-UHFFFAOYSA-N 1 2 244.302 1.757 20 0 BDADLO CCc1ncc(CO[NH+]=C(N)[C@@H](C)OC)o1 ZINC000902717237 584658002 /nfs/dbraw/zinc/65/80/02/584658002.db2.gz NOUVADSPCSPAJW-SSDOTTSWSA-N 1 2 227.264 1.270 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)COC(C)C ZINC000902701948 584658522 /nfs/dbraw/zinc/65/85/22/584658522.db2.gz NSKJLUDJSLLVJQ-YHYXMXQVSA-N 1 2 230.308 1.503 20 0 BDADLO CCNC(=O)NOCc1cc(OC)cc(C)[nH+]1 ZINC000902770964 584667971 /nfs/dbraw/zinc/66/79/71/584667971.db2.gz IJVFTYAJSPGJLZ-UHFFFAOYSA-N 1 2 239.275 1.149 20 0 BDADLO COC(=O)CCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781084 584670288 /nfs/dbraw/zinc/67/02/88/584670288.db2.gz DPMFUPPIUJMXBQ-UHFFFAOYSA-N 1 2 248.282 1.905 20 0 BDADLO CCCOC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000859116420 589004126 /nfs/dbraw/zinc/00/41/26/589004126.db2.gz HRCMCNHOQXJUAR-VIFPVBQESA-N 1 2 223.276 1.334 20 0 BDADLO O=C(OC1COC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000902918238 584692046 /nfs/dbraw/zinc/69/20/46/584692046.db2.gz IKAVGQOWCNYLQJ-VIFPVBQESA-N 1 2 237.259 1.082 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902992368 584711230 /nfs/dbraw/zinc/71/12/30/584711230.db2.gz KGYGCEXSRHMNPI-WDEREUQCSA-N 1 2 242.338 1.820 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902992368 584711231 /nfs/dbraw/zinc/71/12/31/584711231.db2.gz KGYGCEXSRHMNPI-WDEREUQCSA-N 1 2 242.338 1.820 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000737 584715705 /nfs/dbraw/zinc/71/57/05/584715705.db2.gz IKDUXPDUVOAHTQ-MNOVXSKESA-N 1 2 230.327 1.725 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000737 584715706 /nfs/dbraw/zinc/71/57/06/584715706.db2.gz IKDUXPDUVOAHTQ-MNOVXSKESA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903004072 584716925 /nfs/dbraw/zinc/71/69/25/584716925.db2.gz YZJBVEMYXLKFNE-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903004072 584716926 /nfs/dbraw/zinc/71/69/26/584716926.db2.gz YZJBVEMYXLKFNE-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903290100 584746113 /nfs/dbraw/zinc/74/61/13/584746113.db2.gz XACOULKRTZEZHQ-PIYOJAEESA-N 1 2 233.315 1.545 20 0 BDADLO C1=CCN(CCC2SCCS2)[NH2+]C1 ZINC000903491180 584780839 /nfs/dbraw/zinc/78/08/39/584780839.db2.gz YSIOAZMOZHBHKX-UHFFFAOYSA-N 1 2 216.375 1.559 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(C2CC2)n1 ZINC000904273226 584859850 /nfs/dbraw/zinc/85/98/50/584859850.db2.gz WIILRCNBQDHORO-UHFFFAOYSA-N 1 2 216.244 1.900 20 0 BDADLO CCCOC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000859173540 589013901 /nfs/dbraw/zinc/01/39/01/589013901.db2.gz VZPGMJMIPIANFA-MRVPVSSYSA-N 1 2 209.249 1.464 20 0 BDADLO c1[nH]nc2c1C[N@H+](Cc1cnccn1)CCC2 ZINC000828009226 584901375 /nfs/dbraw/zinc/90/13/75/584901375.db2.gz ILFFHTVPDMLKOY-UHFFFAOYSA-N 1 2 229.287 1.148 20 0 BDADLO c1[nH]nc2c1C[N@@H+](Cc1cnccn1)CCC2 ZINC000828009226 584901376 /nfs/dbraw/zinc/90/13/76/584901376.db2.gz ILFFHTVPDMLKOY-UHFFFAOYSA-N 1 2 229.287 1.148 20 0 BDADLO C(c1nnc2n1CCCCC2)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761085493 584909095 /nfs/dbraw/zinc/90/90/95/584909095.db2.gz CAKNBIZJHLTPPW-WDEREUQCSA-N 1 2 232.331 1.599 20 0 BDADLO C(c1nnc2n1CCCCC2)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761085493 584909096 /nfs/dbraw/zinc/90/90/96/584909096.db2.gz CAKNBIZJHLTPPW-WDEREUQCSA-N 1 2 232.331 1.599 20 0 BDADLO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(Cl)cc1F ZINC000730432488 584910861 /nfs/dbraw/zinc/91/08/61/584910861.db2.gz IXVGYDOHNYETAZ-ZETCQYMHSA-N 1 2 244.697 1.785 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000730432488 584910862 /nfs/dbraw/zinc/91/08/62/584910862.db2.gz IXVGYDOHNYETAZ-ZETCQYMHSA-N 1 2 244.697 1.785 20 0 BDADLO O=C(NC1=[NH+]CCS1)C1CCSCC1 ZINC000732929916 584941983 /nfs/dbraw/zinc/94/19/83/584941983.db2.gz AOUYHYIEZKTPDY-UHFFFAOYSA-N 1 2 230.358 1.349 20 0 BDADLO CCCSCC(=O)OCCn1cc[nH+]c1 ZINC000788052693 584943993 /nfs/dbraw/zinc/94/39/93/584943993.db2.gz DYSHBTMDWFRSQT-UHFFFAOYSA-N 1 2 228.317 1.570 20 0 BDADLO COCCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000733493986 584949990 /nfs/dbraw/zinc/94/99/90/584949990.db2.gz FDVHROCGXJNZCI-UHFFFAOYSA-N 1 2 234.255 1.528 20 0 BDADLO CC/C=C(\C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733884536 584954052 /nfs/dbraw/zinc/95/40/52/584954052.db2.gz GGSTYMGYPWJUEO-ONNFQVAWSA-N 1 2 219.288 1.623 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc[nH]c1=S ZINC000733955299 584955512 /nfs/dbraw/zinc/95/55/12/584955512.db2.gz FWJOVJNHEVCLKZ-UHFFFAOYSA-N 1 2 234.284 1.023 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000769115826 584956910 /nfs/dbraw/zinc/95/69/10/584956910.db2.gz PYCKHOJLSOEWAZ-PWSUYJOCSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000769115826 584956911 /nfs/dbraw/zinc/95/69/11/584956911.db2.gz PYCKHOJLSOEWAZ-PWSUYJOCSA-N 1 2 248.326 1.725 20 0 BDADLO Cc1nc(N2CC[C@H]([C@@H]3CCCO3)C2)cc[nH+]1 ZINC000884731860 584963066 /nfs/dbraw/zinc/96/30/66/584963066.db2.gz GSUHLJCGCCVLHF-RYUDHWBXSA-N 1 2 233.315 1.790 20 0 BDADLO Cc1cnoc1C(=O)OCCn1cc[nH+]c1 ZINC000771990929 585011933 /nfs/dbraw/zinc/01/19/33/585011933.db2.gz ABIGMYXWYHHGLY-UHFFFAOYSA-N 1 2 221.216 1.037 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000771996250 585011949 /nfs/dbraw/zinc/01/19/49/585011949.db2.gz OXRGHIDUSOVXGV-WDEREUQCSA-N 1 2 220.272 1.472 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000821261576 585015633 /nfs/dbraw/zinc/01/56/33/585015633.db2.gz ROMOZYAUNFUQOW-GXFFZTMASA-N 1 2 218.300 1.965 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000821261576 585015634 /nfs/dbraw/zinc/01/56/34/585015634.db2.gz ROMOZYAUNFUQOW-GXFFZTMASA-N 1 2 218.300 1.965 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099812 585022861 /nfs/dbraw/zinc/02/28/61/585022861.db2.gz KOFIARUWNQZYIB-NUGNTBJXSA-N 1 2 233.315 1.328 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCC(C)(C)C)c1 ZINC000890114224 585024080 /nfs/dbraw/zinc/02/40/80/585024080.db2.gz YVAYPKKUOJMHRI-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccoc1 ZINC000788086260 585039334 /nfs/dbraw/zinc/03/93/34/585039334.db2.gz YISHHLXHOTWBPR-SNVBAGLBSA-N 1 2 227.235 1.480 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccoc1 ZINC000788086260 585039335 /nfs/dbraw/zinc/03/93/35/585039335.db2.gz YISHHLXHOTWBPR-SNVBAGLBSA-N 1 2 227.235 1.480 20 0 BDADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(F)(F)F ZINC000737994427 585039942 /nfs/dbraw/zinc/03/99/42/585039942.db2.gz DPZQODNZVBBRJF-QMMMGPOBSA-N 1 2 238.253 1.347 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(F)(F)F ZINC000737994427 585039943 /nfs/dbraw/zinc/03/99/43/585039943.db2.gz DPZQODNZVBBRJF-QMMMGPOBSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859201949 589018273 /nfs/dbraw/zinc/01/82/73/589018273.db2.gz PMGKSZRJWPMIQJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859201949 589018274 /nfs/dbraw/zinc/01/82/74/589018274.db2.gz PMGKSZRJWPMIQJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CCn1ncc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000838790325 585070557 /nfs/dbraw/zinc/07/05/57/585070557.db2.gz ZAUCIVYNZPGPKK-SNVBAGLBSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000838790325 585070558 /nfs/dbraw/zinc/07/05/58/585070558.db2.gz ZAUCIVYNZPGPKK-SNVBAGLBSA-N 1 2 226.349 1.235 20 0 BDADLO C[N@H+](CCC(=O)N1CCCC1)CC(F)F ZINC000838818947 585072117 /nfs/dbraw/zinc/07/21/17/585072117.db2.gz MRILIAOYSRYBBS-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO C[N@@H+](CCC(=O)N1CCCC1)CC(F)F ZINC000838818947 585072118 /nfs/dbraw/zinc/07/21/18/585072118.db2.gz MRILIAOYSRYBBS-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)C1(C)CC1 ZINC000838958174 585080735 /nfs/dbraw/zinc/08/07/35/585080735.db2.gz WERXRZBRSDECTB-UHFFFAOYSA-N 1 2 234.299 1.991 20 0 BDADLO CCn1ncc(C[NH+]2CCC(C)(OC)CC2)n1 ZINC000838997935 585085791 /nfs/dbraw/zinc/08/57/91/585085791.db2.gz RFQQPIAZUDHXPK-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+](C)CCCn2ccnc2)n1 ZINC000839096595 585090676 /nfs/dbraw/zinc/09/06/76/585090676.db2.gz RSHKRFGQGCLJEI-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO CCn1ncc(C[N@@H+](C)CCCn2ccnc2)n1 ZINC000839096595 585090677 /nfs/dbraw/zinc/09/06/77/585090677.db2.gz RSHKRFGQGCLJEI-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO CCn1ncc(CN(C)CCCn2cc[nH+]c2)n1 ZINC000839096595 585090678 /nfs/dbraw/zinc/09/06/78/585090678.db2.gz RSHKRFGQGCLJEI-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO Cn1ncc(C[NH+]2CC3(C2)CCCC3)n1 ZINC000839106935 585091392 /nfs/dbraw/zinc/09/13/92/585091392.db2.gz QGHWOFUSPMNGCG-UHFFFAOYSA-N 1 2 206.293 1.191 20 0 BDADLO COC1C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000839131148 585093772 /nfs/dbraw/zinc/09/37/72/585093772.db2.gz OADMZYIYWRIWFD-UHFFFAOYSA-N 1 2 216.284 1.999 20 0 BDADLO Cc1nonc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201707 585099517 /nfs/dbraw/zinc/09/95/17/585099517.db2.gz QCESORXHCLZFNN-YUMQZZPRSA-N 1 2 211.290 1.068 20 0 BDADLO Cc1nonc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201707 585099518 /nfs/dbraw/zinc/09/95/18/585099518.db2.gz QCESORXHCLZFNN-YUMQZZPRSA-N 1 2 211.290 1.068 20 0 BDADLO CCC1(C(=O)Nc2ccn3cc[nH+]c3c2)COC1 ZINC000839361073 585101971 /nfs/dbraw/zinc/10/19/71/585101971.db2.gz VKGFIJUUZIWXDN-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO Cc1cc(COC(=O)[C@H]2CCCC[N@H+]2C)on1 ZINC000741144981 585110412 /nfs/dbraw/zinc/11/04/12/585110412.db2.gz IEYOXCBJJJUAKQ-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1cc(COC(=O)[C@H]2CCCC[N@@H+]2C)on1 ZINC000741144981 585110413 /nfs/dbraw/zinc/11/04/13/585110413.db2.gz IEYOXCBJJJUAKQ-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO C[C@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741739827 585117421 /nfs/dbraw/zinc/11/74/21/585117421.db2.gz GYVVTEZBHJNJGI-DTWKUNHWSA-N 1 2 215.256 1.929 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)s1 ZINC000742193418 585122968 /nfs/dbraw/zinc/12/29/68/585122968.db2.gz BPPHRVNCAGFOQW-SECBINFHSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000742193418 585122969 /nfs/dbraw/zinc/12/29/69/585122969.db2.gz BPPHRVNCAGFOQW-SECBINFHSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCc2[nH+]ccn2C)o1 ZINC000742633668 585129197 /nfs/dbraw/zinc/12/91/97/585129197.db2.gz KFUMHJYUVPIWND-SNVBAGLBSA-N 1 2 247.298 1.741 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1C(=O)CC12CCC2 ZINC000743364488 585136244 /nfs/dbraw/zinc/13/62/44/585136244.db2.gz NLZCLGFWVCMBGL-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1C(=O)CC12CCC2 ZINC000743364488 585136245 /nfs/dbraw/zinc/13/62/45/585136245.db2.gz NLZCLGFWVCMBGL-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@H]2CCCO[C@H]21 ZINC000743479266 585137420 /nfs/dbraw/zinc/13/74/20/585137420.db2.gz GNDCNCYTGMUUAY-GWOFURMSSA-N 1 2 239.315 1.095 20 0 BDADLO Cc1[nH]c(C(=O)NCCOC2CCC2)c[nH+]1 ZINC000743746738 585139182 /nfs/dbraw/zinc/13/91/82/585139182.db2.gz KGRFAHRHECLULY-UHFFFAOYSA-N 1 2 223.276 1.017 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cscn1 ZINC000745080229 585156269 /nfs/dbraw/zinc/15/62/69/585156269.db2.gz QOJNRJFFYQAUAE-JTQLQIEISA-N 1 2 240.328 1.671 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cscn1 ZINC000745080229 585156270 /nfs/dbraw/zinc/15/62/70/585156270.db2.gz QOJNRJFFYQAUAE-JTQLQIEISA-N 1 2 240.328 1.671 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[Si](C)(C)C ZINC000745086793 585156512 /nfs/dbraw/zinc/15/65/12/585156512.db2.gz TXQIZBNAQFTCAN-SNVBAGLBSA-N 1 2 229.396 1.891 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[Si](C)(C)C ZINC000745086793 585156513 /nfs/dbraw/zinc/15/65/13/585156513.db2.gz TXQIZBNAQFTCAN-SNVBAGLBSA-N 1 2 229.396 1.891 20 0 BDADLO O=C(CCn1cccc1)NC1=[NH+]CCS1 ZINC000746103739 585163127 /nfs/dbraw/zinc/16/31/27/585163127.db2.gz XAAHKFUZJFOHCV-UHFFFAOYSA-N 1 2 223.301 1.097 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccc(F)nc1 ZINC000746266744 585166600 /nfs/dbraw/zinc/16/66/00/585166600.db2.gz YOPPPYMTEXOGLC-UHFFFAOYSA-N 1 2 245.257 1.852 20 0 BDADLO COCC[N@H+](CCF)Cc1ccco1 ZINC000746500272 585168637 /nfs/dbraw/zinc/16/86/37/585168637.db2.gz WBVGMUVUSUGHSU-UHFFFAOYSA-N 1 2 201.241 1.698 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccco1 ZINC000746500272 585168638 /nfs/dbraw/zinc/16/86/38/585168638.db2.gz WBVGMUVUSUGHSU-UHFFFAOYSA-N 1 2 201.241 1.698 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000746501401 585169258 /nfs/dbraw/zinc/16/92/58/585169258.db2.gz AVMWITSMBATTLO-UHFFFAOYSA-N 1 2 240.278 1.277 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000746501401 585169259 /nfs/dbraw/zinc/16/92/59/585169259.db2.gz AVMWITSMBATTLO-UHFFFAOYSA-N 1 2 240.278 1.277 20 0 BDADLO CCC[N@H+](Cn1ccsc1=O)C1CC1 ZINC000746620959 585170935 /nfs/dbraw/zinc/17/09/35/585170935.db2.gz POPQMULJWYPCDS-UHFFFAOYSA-N 1 2 212.318 1.742 20 0 BDADLO Cc1nnc([C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000789612828 585177393 /nfs/dbraw/zinc/17/73/93/585177393.db2.gz VNWSRLXMNCGBHS-SVRRBLITSA-N 1 2 240.263 1.116 20 0 BDADLO CCC[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000747784012 585184264 /nfs/dbraw/zinc/18/42/64/585184264.db2.gz RUJPNTCGPPIXAR-SECBINFHSA-N 1 2 210.277 1.900 20 0 BDADLO Cn1c[nH+]cc1COC(=O)Cc1ccccc1F ZINC000747783343 585184330 /nfs/dbraw/zinc/18/43/30/585184330.db2.gz MWZDFDZUVCJYCH-UHFFFAOYSA-N 1 2 248.257 1.845 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1=CCCCO1 ZINC000748025537 585186642 /nfs/dbraw/zinc/18/66/42/585186642.db2.gz ZXJPMYQAXCXCCH-UHFFFAOYSA-N 1 2 247.298 1.304 20 0 BDADLO CCCCCCOCC(=O)NCc1c[nH+]c[nH]1 ZINC000748322548 585190557 /nfs/dbraw/zinc/19/05/57/585190557.db2.gz PDFXHFKMPBEIQD-UHFFFAOYSA-N 1 2 239.319 1.623 20 0 BDADLO CCCCCCOCC(=O)NCc1c[nH]c[nH+]1 ZINC000748322548 585190558 /nfs/dbraw/zinc/19/05/58/585190558.db2.gz PDFXHFKMPBEIQD-UHFFFAOYSA-N 1 2 239.319 1.623 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H]1c1ccccc1 ZINC000749113873 585199540 /nfs/dbraw/zinc/19/95/40/585199540.db2.gz JCZBMUGGITVAPI-NWDGAFQWSA-N 1 2 217.268 1.749 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H]1c1ccccc1 ZINC000749113873 585199541 /nfs/dbraw/zinc/19/95/41/585199541.db2.gz JCZBMUGGITVAPI-NWDGAFQWSA-N 1 2 217.268 1.749 20 0 BDADLO CS/C=C/C(=O)N(C)Cc1[nH+]ccn1C ZINC000751580284 585233621 /nfs/dbraw/zinc/23/36/21/585233621.db2.gz TWUJSUOQWITXRG-QPJJXVBHSA-N 1 2 225.317 1.255 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cn1cc(Cl)cn1 ZINC000751947006 585239050 /nfs/dbraw/zinc/23/90/50/585239050.db2.gz MAOMASKMPTZOCN-JTQLQIEISA-N 1 2 229.711 1.605 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cn1cc(Cl)cn1 ZINC000751947006 585239051 /nfs/dbraw/zinc/23/90/51/585239051.db2.gz MAOMASKMPTZOCN-JTQLQIEISA-N 1 2 229.711 1.605 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000752313904 585244583 /nfs/dbraw/zinc/24/45/83/585244583.db2.gz IBIBFCVKAGWDCH-STQMWFEESA-N 1 2 231.295 1.619 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000752313904 585244584 /nfs/dbraw/zinc/24/45/84/585244584.db2.gz IBIBFCVKAGWDCH-STQMWFEESA-N 1 2 231.295 1.619 20 0 BDADLO CC[C@@H](C)OCC(=O)OCc1c[nH+]cn1C ZINC000752512468 585247192 /nfs/dbraw/zinc/24/71/92/585247192.db2.gz KTQZCHMRZKARKL-SECBINFHSA-N 1 2 226.276 1.278 20 0 BDADLO COc1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000752626929 585248462 /nfs/dbraw/zinc/24/84/62/585248462.db2.gz PVGHCBYJUYVUFQ-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO CCC/C=C/C(=O)NCc1c[nH+]cn1C ZINC000752950105 585251666 /nfs/dbraw/zinc/25/16/66/585251666.db2.gz FSHLUGYQJMFWOK-AATRIKPKSA-N 1 2 207.277 1.393 20 0 BDADLO Cn1c[nH+]cc1COC(=O)Cc1cccs1 ZINC000753147985 585254384 /nfs/dbraw/zinc/25/43/84/585254384.db2.gz SQSRTFGRURKADF-UHFFFAOYSA-N 1 2 236.296 1.768 20 0 BDADLO COC1(C(=O)OCCn2cc[nH+]c2)CCCC1 ZINC000753515392 585260337 /nfs/dbraw/zinc/26/03/37/585260337.db2.gz MYSNJCKCDZKEFH-UHFFFAOYSA-N 1 2 238.287 1.386 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)nc1 ZINC000753569484 585262060 /nfs/dbraw/zinc/26/20/60/585262060.db2.gz OJASFWSXDZKACV-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)NCc1[nH]cc[nH+]1 ZINC000753572268 585262093 /nfs/dbraw/zinc/26/20/93/585262093.db2.gz TVSSENZHZNIPRU-SNVBAGLBSA-N 1 2 237.303 1.231 20 0 BDADLO C[N@H+](CC[C@H]1CCOC1=O)CC(F)F ZINC000753846271 585270855 /nfs/dbraw/zinc/27/08/55/585270855.db2.gz XOAGMQIUFUSCJZ-ZETCQYMHSA-N 1 2 207.220 1.137 20 0 BDADLO C[N@@H+](CC[C@H]1CCOC1=O)CC(F)F ZINC000753846271 585270856 /nfs/dbraw/zinc/27/08/56/585270856.db2.gz XOAGMQIUFUSCJZ-ZETCQYMHSA-N 1 2 207.220 1.137 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893816 585271597 /nfs/dbraw/zinc/27/15/97/585271597.db2.gz BEURQAJMVKPGPJ-YFKTTZPYSA-N 1 2 239.315 1.049 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893816 585271598 /nfs/dbraw/zinc/27/15/98/585271598.db2.gz BEURQAJMVKPGPJ-YFKTTZPYSA-N 1 2 239.315 1.049 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CC1(Cl)Cl ZINC000754301178 585282288 /nfs/dbraw/zinc/28/22/88/585282288.db2.gz BNXUNGWLZWLHLK-ZCFIWIBFSA-N 1 2 234.086 1.220 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CC1(Cl)Cl ZINC000754301178 585282289 /nfs/dbraw/zinc/28/22/89/585282289.db2.gz BNXUNGWLZWLHLK-ZCFIWIBFSA-N 1 2 234.086 1.220 20 0 BDADLO OCC[C@@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000754489722 585285191 /nfs/dbraw/zinc/28/51/91/585285191.db2.gz WQQCYDNMUQBLSH-GFCCVEGCSA-N 1 2 243.310 1.625 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC1OCCCO1 ZINC000754651193 585288500 /nfs/dbraw/zinc/28/85/00/585288500.db2.gz IUZYHJHLFARYRF-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO Cn1c[nH+]cc1COC(=O)Cc1ccsc1 ZINC000754684982 585289250 /nfs/dbraw/zinc/28/92/50/585289250.db2.gz NRXXHJGUHVHWPS-UHFFFAOYSA-N 1 2 236.296 1.768 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000755070527 585294065 /nfs/dbraw/zinc/29/40/65/585294065.db2.gz BLBLYXXWLRKXEG-NWDGAFQWSA-N 1 2 242.363 1.859 20 0 BDADLO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000755139974 585295461 /nfs/dbraw/zinc/29/54/61/585295461.db2.gz CVNCQGRAKZFLMY-TVSKSKRASA-N 1 2 239.275 1.148 20 0 BDADLO C[C@H]1CCC[C@H]([N@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300743 585353313 /nfs/dbraw/zinc/35/33/13/585353313.db2.gz PFVZMBIWRQSJGT-QWRGUYRKSA-N 1 2 238.335 1.050 20 0 BDADLO C[C@H]1CCC[C@H]([N@@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300743 585353314 /nfs/dbraw/zinc/35/33/14/585353314.db2.gz PFVZMBIWRQSJGT-QWRGUYRKSA-N 1 2 238.335 1.050 20 0 BDADLO C[C@@H]1CCC[C@H]([N@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300742 585353531 /nfs/dbraw/zinc/35/35/31/585353531.db2.gz PFVZMBIWRQSJGT-MNOVXSKESA-N 1 2 238.335 1.050 20 0 BDADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300742 585353532 /nfs/dbraw/zinc/35/35/32/585353532.db2.gz PFVZMBIWRQSJGT-MNOVXSKESA-N 1 2 238.335 1.050 20 0 BDADLO FCC[NH+]1CCN(Cc2cscn2)CC1 ZINC000759330561 585367977 /nfs/dbraw/zinc/36/79/77/585367977.db2.gz NWSKUFFAYDTVLZ-UHFFFAOYSA-N 1 2 229.324 1.230 20 0 BDADLO CC(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000759340543 585368540 /nfs/dbraw/zinc/36/85/40/585368540.db2.gz VUXBCDISCQJBEC-JTQLQIEISA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000759340543 585368541 /nfs/dbraw/zinc/36/85/41/585368541.db2.gz VUXBCDISCQJBEC-JTQLQIEISA-N 1 2 216.300 1.193 20 0 BDADLO C[N@H+](CCF)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000759343134 585369844 /nfs/dbraw/zinc/36/98/44/585369844.db2.gz RCCLJOWOCYRETR-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@@H+](CCF)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000759343134 585369845 /nfs/dbraw/zinc/36/98/45/585369845.db2.gz RCCLJOWOCYRETR-SSDOTTSWSA-N 1 2 242.216 1.051 20 0 BDADLO FCC[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000759348305 585370447 /nfs/dbraw/zinc/37/04/47/585370447.db2.gz UHTLXEWRHBLANQ-UHFFFAOYSA-N 1 2 246.289 1.730 20 0 BDADLO FCC[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000759348305 585370448 /nfs/dbraw/zinc/37/04/48/585370448.db2.gz UHTLXEWRHBLANQ-UHFFFAOYSA-N 1 2 246.289 1.730 20 0 BDADLO Cc1nsc(N2CCC[N@H+](CCF)CC2)n1 ZINC000759348308 585370632 /nfs/dbraw/zinc/37/06/32/585370632.db2.gz UJTDWTAFXRGQGN-UHFFFAOYSA-N 1 2 244.339 1.328 20 0 BDADLO Cc1nsc(N2CCC[N@@H+](CCF)CC2)n1 ZINC000759348308 585370633 /nfs/dbraw/zinc/37/06/33/585370633.db2.gz UJTDWTAFXRGQGN-UHFFFAOYSA-N 1 2 244.339 1.328 20 0 BDADLO C/C=C/C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759470488 585373624 /nfs/dbraw/zinc/37/36/24/585373624.db2.gz SEDLTGYTKYOMEI-HEKLCECKSA-N 1 2 233.315 1.869 20 0 BDADLO CS(=O)(=O)C1CC[NH+](C/C=C/Cl)CC1 ZINC000760960635 585402685 /nfs/dbraw/zinc/40/26/85/585402685.db2.gz IQGGBWJLLKPQAW-GORDUTHDSA-N 1 2 237.752 1.248 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCCC(C)C ZINC000762210262 585429095 /nfs/dbraw/zinc/42/90/95/585429095.db2.gz NNPXEYMHVKULNW-SECBINFHSA-N 1 2 202.298 1.956 20 0 BDADLO FC(F)C[N@H+](C[C@H]1COCCO1)C1CCC1 ZINC000887102278 585440114 /nfs/dbraw/zinc/44/01/14/585440114.db2.gz JODSNNXQNBXYEJ-JTQLQIEISA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)C[N@@H+](C[C@H]1COCCO1)C1CCC1 ZINC000887102278 585440115 /nfs/dbraw/zinc/44/01/15/585440115.db2.gz JODSNNXQNBXYEJ-JTQLQIEISA-N 1 2 235.274 1.521 20 0 BDADLO O=C1O[C@@H](COCc2[nH]cc[nH+]2)CC12CC2 ZINC000762970228 585440421 /nfs/dbraw/zinc/44/04/21/585440421.db2.gz RTVUEQGPBOQXQU-MRVPVSSYSA-N 1 2 222.244 1.022 20 0 BDADLO CCCc1cc(C(=O)OCCn2cc[nH+]c2)n[nH]1 ZINC000763113992 585443218 /nfs/dbraw/zinc/44/32/18/585443218.db2.gz RBVYWYURVUNKDI-UHFFFAOYSA-N 1 2 248.286 1.416 20 0 BDADLO Cc1ccc(CC(=O)OCCn2cc[nH+]c2)cc1 ZINC000763111324 585443447 /nfs/dbraw/zinc/44/34/47/585443447.db2.gz HNDCWIQEWHGPHF-UHFFFAOYSA-N 1 2 244.294 1.977 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccoc1 ZINC000763294607 585446108 /nfs/dbraw/zinc/44/61/08/585446108.db2.gz UKZMUILPKDFYLP-UHFFFAOYSA-N 1 2 220.228 1.723 20 0 BDADLO Cc1cc(NC(=O)c2cccc(F)n2)c(C)c[nH+]1 ZINC000765000637 585479156 /nfs/dbraw/zinc/47/91/56/585479156.db2.gz ZQGLYIZENFVHBX-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO O=C(NN1CCCCC1)c1cccc2[nH+]ccn21 ZINC000765239745 585483054 /nfs/dbraw/zinc/48/30/54/585483054.db2.gz TZBKBGHCGQTFCG-UHFFFAOYSA-N 1 2 244.298 1.465 20 0 BDADLO CC[C@@H]1C[N@H+](CCF)CCN1CC(F)F ZINC000766268362 585499947 /nfs/dbraw/zinc/49/99/47/585499947.db2.gz JHVKEKQCFAJEMK-SECBINFHSA-N 1 2 224.270 1.617 20 0 BDADLO O=C(Nc1cnccn1)c1cccc2[nH+]ccn21 ZINC000766357765 585501342 /nfs/dbraw/zinc/50/13/42/585501342.db2.gz MQZMYWOQRKXAHB-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO NC(=O)[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000766455360 585502751 /nfs/dbraw/zinc/50/27/51/585502751.db2.gz DQCJTMWHVZFAEZ-GFCCVEGCSA-N 1 2 248.257 1.735 20 0 BDADLO FCCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000767042086 585512761 /nfs/dbraw/zinc/51/27/61/585512761.db2.gz WRYJXXBNUHHVIL-UHFFFAOYSA-N 1 2 240.297 1.913 20 0 BDADLO FCC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000767042086 585512762 /nfs/dbraw/zinc/51/27/62/585512762.db2.gz WRYJXXBNUHHVIL-UHFFFAOYSA-N 1 2 240.297 1.913 20 0 BDADLO FCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000767551161 585522250 /nfs/dbraw/zinc/52/22/50/585522250.db2.gz ZRWUPQUOJBMTNL-UHFFFAOYSA-N 1 2 223.295 1.169 20 0 BDADLO FCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000767551161 585522251 /nfs/dbraw/zinc/52/22/51/585522251.db2.gz ZRWUPQUOJBMTNL-UHFFFAOYSA-N 1 2 223.295 1.169 20 0 BDADLO CC(C)(F)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767584722 585522867 /nfs/dbraw/zinc/52/28/67/585522867.db2.gz JIDLVMSQERXWRI-AOOOYVTPSA-N 1 2 245.294 1.141 20 0 BDADLO CC(C)(F)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767584722 585522868 /nfs/dbraw/zinc/52/28/68/585522868.db2.gz JIDLVMSQERXWRI-AOOOYVTPSA-N 1 2 245.294 1.141 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](CCO)C1CC1 ZINC000767915192 585528256 /nfs/dbraw/zinc/52/82/56/585528256.db2.gz SMRXHLRXHQVCJM-LBPRGKRZSA-N 1 2 249.314 1.094 20 0 BDADLO CC(C)(F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000768422602 585538636 /nfs/dbraw/zinc/53/86/36/585538636.db2.gz GUIYTPIDNWFCRF-UHFFFAOYSA-N 1 2 239.294 1.864 20 0 BDADLO CC(C)(F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000768422602 585538637 /nfs/dbraw/zinc/53/86/37/585538637.db2.gz GUIYTPIDNWFCRF-UHFFFAOYSA-N 1 2 239.294 1.864 20 0 BDADLO Cn1nccc1CO[NH+]=C(N)COC(C)(C)C ZINC000768932262 585546288 /nfs/dbraw/zinc/54/62/88/585546288.db2.gz NCJHOLSCBALTLW-UHFFFAOYSA-N 1 2 240.307 1.234 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C(C)(C)C ZINC000769807693 585564099 /nfs/dbraw/zinc/56/40/99/585564099.db2.gz YVKHFZXIWZZZKF-MNOVXSKESA-N 1 2 245.363 1.715 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)C1=COCC1 ZINC000770922636 585584277 /nfs/dbraw/zinc/58/42/77/585584277.db2.gz ONOLAALHJUCPKM-UHFFFAOYSA-N 1 2 244.250 1.682 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(F)(F)F ZINC000771407625 585594093 /nfs/dbraw/zinc/59/40/93/585594093.db2.gz SDQUMBJJIUTJBN-RNFRBKRXSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(F)(F)F ZINC000771407625 585594094 /nfs/dbraw/zinc/59/40/94/585594094.db2.gz SDQUMBJJIUTJBN-RNFRBKRXSA-N 1 2 224.226 1.100 20 0 BDADLO CCOCC(=O)OCc1ccc(C)[nH+]c1C ZINC000771891774 585603848 /nfs/dbraw/zinc/60/38/48/585603848.db2.gz BYNRUNBPMDWXRZ-UHFFFAOYSA-N 1 2 223.272 1.778 20 0 BDADLO Cc1ncccc1C(=O)OCCn1cc[nH+]c1 ZINC000771958490 585605550 /nfs/dbraw/zinc/60/55/50/585605550.db2.gz MTWCYXUWUPYPCG-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCCCO1 ZINC000772650846 585619689 /nfs/dbraw/zinc/61/96/89/585619689.db2.gz MFKQXIWIKHOYFD-SNVBAGLBSA-N 1 2 224.260 1.032 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCCCO1 ZINC000772650843 585619812 /nfs/dbraw/zinc/61/98/12/585619812.db2.gz MFKQXIWIKHOYFD-JTQLQIEISA-N 1 2 224.260 1.032 20 0 BDADLO Cc1cncc(C=CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000772697540 585621175 /nfs/dbraw/zinc/62/11/75/585621175.db2.gz LRNXILYSHUZNOB-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1cncc(C=CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000772697540 585621176 /nfs/dbraw/zinc/62/11/76/585621176.db2.gz LRNXILYSHUZNOB-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO CC/C=C/CCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805471563 585624062 /nfs/dbraw/zinc/62/40/62/585624062.db2.gz NYPLIBJKULKQOI-BTDICHCPSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C/CCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805471563 585624063 /nfs/dbraw/zinc/62/40/63/585624063.db2.gz NYPLIBJKULKQOI-BTDICHCPSA-N 1 2 241.331 1.607 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772813496 585624742 /nfs/dbraw/zinc/62/47/42/585624742.db2.gz OFJVEXDNVVBLKG-PTDYZRSTSA-N 1 2 219.288 1.349 20 0 BDADLO CC=C(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772813496 585624743 /nfs/dbraw/zinc/62/47/43/585624743.db2.gz OFJVEXDNVVBLKG-PTDYZRSTSA-N 1 2 219.288 1.349 20 0 BDADLO CSCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000773519162 585639210 /nfs/dbraw/zinc/63/92/10/585639210.db2.gz SOADSRVRSFTAPZ-UHFFFAOYSA-N 1 2 236.296 1.854 20 0 BDADLO CC(C)C1(O)C[NH+]([C@@H](C)c2ccccn2)C1 ZINC000773893981 585645902 /nfs/dbraw/zinc/64/59/02/585645902.db2.gz QEQVUVMOEMUOAO-NSHDSACASA-N 1 2 220.316 1.845 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccn(C)c1 ZINC000805497296 585646141 /nfs/dbraw/zinc/64/61/41/585646141.db2.gz UMNDXWPTLOWCPC-UHFFFAOYSA-N 1 2 246.266 1.786 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000774728045 585664145 /nfs/dbraw/zinc/66/41/45/585664145.db2.gz KEVUFFXJGULQHD-JTQLQIEISA-N 1 2 237.303 1.094 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000774728045 585664146 /nfs/dbraw/zinc/66/41/46/585664146.db2.gz KEVUFFXJGULQHD-JTQLQIEISA-N 1 2 237.303 1.094 20 0 BDADLO CCc1ccnc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000775091743 585672111 /nfs/dbraw/zinc/67/21/11/585672111.db2.gz VDGAFIAFFOOZFK-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO CCOCCONC(=O)c1cccc2[nH+]ccn21 ZINC000775233833 585673534 /nfs/dbraw/zinc/67/35/34/585673534.db2.gz JMFMDKVDRQTLGC-UHFFFAOYSA-N 1 2 249.270 1.032 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC[C@H]2C)nc1 ZINC000775569921 585680450 /nfs/dbraw/zinc/68/04/50/585680450.db2.gz IODRTMYGHDGCMS-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC[C@H]2C)nc1 ZINC000775569921 585680451 /nfs/dbraw/zinc/68/04/51/585680451.db2.gz IODRTMYGHDGCMS-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)(C)C(=O)N1CC[N@H+](CCF)C(C)(C)C1 ZINC000776036676 585689482 /nfs/dbraw/zinc/68/94/82/585689482.db2.gz PUGPOVJILAFGNX-UHFFFAOYSA-N 1 2 244.354 1.925 20 0 BDADLO CC(C)(C)C(=O)N1CC[N@@H+](CCF)C(C)(C)C1 ZINC000776036676 585689483 /nfs/dbraw/zinc/68/94/83/585689483.db2.gz PUGPOVJILAFGNX-UHFFFAOYSA-N 1 2 244.354 1.925 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CCC(C)C)C1 ZINC000776305982 585695173 /nfs/dbraw/zinc/69/51/73/585695173.db2.gz IOZOUAYFGLZICY-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCCn2cc[nH+]c2)CCO1 ZINC000776412537 585697965 /nfs/dbraw/zinc/69/79/65/585697965.db2.gz IKLBUCZUTXDKDN-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000776578069 585701070 /nfs/dbraw/zinc/70/10/70/585701070.db2.gz CUUINYSMNSFHKE-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000776578069 585701071 /nfs/dbraw/zinc/70/10/71/585701071.db2.gz CUUINYSMNSFHKE-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C\Cl ZINC000776854679 585706377 /nfs/dbraw/zinc/70/63/77/585706377.db2.gz WOKVMHMJOUYFRT-NMTCXDENSA-N 1 2 232.755 1.974 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C\Cl ZINC000776854679 585706378 /nfs/dbraw/zinc/70/63/78/585706378.db2.gz WOKVMHMJOUYFRT-NMTCXDENSA-N 1 2 232.755 1.974 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C\Cl ZINC000776854677 585706380 /nfs/dbraw/zinc/70/63/80/585706380.db2.gz WOKVMHMJOUYFRT-ATJFRQLMSA-N 1 2 232.755 1.974 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C\Cl ZINC000776854677 585706381 /nfs/dbraw/zinc/70/63/81/585706381.db2.gz WOKVMHMJOUYFRT-ATJFRQLMSA-N 1 2 232.755 1.974 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(CF)cc1 ZINC000777542702 585714615 /nfs/dbraw/zinc/71/46/15/585714615.db2.gz XCGJTVVOBZLNHE-UHFFFAOYSA-N 1 2 225.263 1.761 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777542702 585714616 /nfs/dbraw/zinc/71/46/16/585714616.db2.gz XCGJTVVOBZLNHE-UHFFFAOYSA-N 1 2 225.263 1.761 20 0 BDADLO O=S1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777583150 585716040 /nfs/dbraw/zinc/71/60/40/585716040.db2.gz MTEXNYRXZIMNKJ-UHFFFAOYSA-N 1 2 241.331 1.720 20 0 BDADLO Fc1cccc([C@@H]2CC[N@@H+]2CC2OCCO2)c1 ZINC000777596718 585716966 /nfs/dbraw/zinc/71/69/66/585716966.db2.gz WGAWGVYSECFWHE-LBPRGKRZSA-N 1 2 237.274 1.945 20 0 BDADLO Fc1cccc([C@@H]2CC[N@H+]2CC2OCCO2)c1 ZINC000777596718 585716967 /nfs/dbraw/zinc/71/69/67/585716967.db2.gz WGAWGVYSECFWHE-LBPRGKRZSA-N 1 2 237.274 1.945 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1CCCCO1 ZINC000778122660 585726021 /nfs/dbraw/zinc/72/60/21/585726021.db2.gz TVZGDAQMWMTTII-NWDGAFQWSA-N 1 2 241.331 1.583 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1CCCCO1 ZINC000778122660 585726022 /nfs/dbraw/zinc/72/60/22/585726022.db2.gz TVZGDAQMWMTTII-NWDGAFQWSA-N 1 2 241.331 1.583 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1cn[nH]c1 ZINC000778140697 585726042 /nfs/dbraw/zinc/72/60/42/585726042.db2.gz DRUJDQWXZWNFBN-QMMMGPOBSA-N 1 2 249.318 1.941 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000778987187 585743496 /nfs/dbraw/zinc/74/34/96/585743496.db2.gz PRBJZRKHWWLTNT-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000778987187 585743497 /nfs/dbraw/zinc/74/34/97/585743497.db2.gz PRBJZRKHWWLTNT-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094702 585745256 /nfs/dbraw/zinc/74/52/56/585745256.db2.gz DZZUFERZOHBBOU-MRVPVSSYSA-N 1 2 225.267 1.062 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000779198567 585747112 /nfs/dbraw/zinc/74/71/12/585747112.db2.gz JEQPDOFQJAYKPQ-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1ccoc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000779198567 585747113 /nfs/dbraw/zinc/74/71/13/585747113.db2.gz JEQPDOFQJAYKPQ-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc(N(C)C)cc1 ZINC000779423871 585754951 /nfs/dbraw/zinc/75/49/51/585754951.db2.gz VHFNFZAOOYNOFN-JTQLQIEISA-N 1 2 208.305 1.935 20 0 BDADLO C[C@@H](CCO)Nc1ccc([NH+](C)C)cc1 ZINC000779423871 585754952 /nfs/dbraw/zinc/75/49/52/585754952.db2.gz VHFNFZAOOYNOFN-JTQLQIEISA-N 1 2 208.305 1.935 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCC[NH+]1CCOCC1 ZINC000780848591 585785235 /nfs/dbraw/zinc/78/52/35/585785235.db2.gz PUIMESPIEHJENJ-VAWYXSNFSA-N 1 2 240.347 1.181 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781354172 585795068 /nfs/dbraw/zinc/79/50/68/585795068.db2.gz OTQQKQQXVSHVTQ-HTQZYQBOSA-N 1 2 235.230 1.006 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781354172 585795069 /nfs/dbraw/zinc/79/50/69/585795069.db2.gz OTQQKQQXVSHVTQ-HTQZYQBOSA-N 1 2 235.230 1.006 20 0 BDADLO COC(C[N@@H+]1CCC[C@H]1C(F)F)OC ZINC000781903763 585805092 /nfs/dbraw/zinc/80/50/92/585805092.db2.gz KDWIUIAQIIUHLC-ZETCQYMHSA-N 1 2 209.236 1.335 20 0 BDADLO COC(C[N@H+]1CCC[C@H]1C(F)F)OC ZINC000781903763 585805093 /nfs/dbraw/zinc/80/50/93/585805093.db2.gz KDWIUIAQIIUHLC-ZETCQYMHSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@H](O)C(C)(C)NC(=O)c1cccc2[nH+]ccn21 ZINC000782028717 585807150 /nfs/dbraw/zinc/80/71/50/585807150.db2.gz IHGYTKWGUFQBPF-VIFPVBQESA-N 1 2 247.298 1.224 20 0 BDADLO C[C@@H](C1CC1)N1CC[NH+](C2CCC2)CC1 ZINC000782180726 585810446 /nfs/dbraw/zinc/81/04/46/585810446.db2.gz AMWJBAHUGAAQQG-NSHDSACASA-N 1 2 208.349 1.955 20 0 BDADLO C[C@H]1COc2ccccc2C[N@@H+]1Cn1cnnc1 ZINC000782289965 585814153 /nfs/dbraw/zinc/81/41/53/585814153.db2.gz NHXUNVQSDQPJCM-NSHDSACASA-N 1 2 244.298 1.519 20 0 BDADLO C[C@H]1COc2ccccc2C[N@H+]1Cn1cnnc1 ZINC000782289965 585814154 /nfs/dbraw/zinc/81/41/54/585814154.db2.gz NHXUNVQSDQPJCM-NSHDSACASA-N 1 2 244.298 1.519 20 0 BDADLO CO[C@H](C)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000782335497 585815423 /nfs/dbraw/zinc/81/54/23/585815423.db2.gz CLHWCHFFKPWBFV-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@H](C)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000782335497 585815424 /nfs/dbraw/zinc/81/54/24/585815424.db2.gz CLHWCHFFKPWBFV-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@H](C)CCC(=O)OCCn1cc[nH+]c1 ZINC000782431130 585817850 /nfs/dbraw/zinc/81/78/50/585817850.db2.gz HHGMZHZLUNBLOS-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO Cc1oncc1C[N@H+](C)Cc1cn[nH]c1 ZINC000782515499 585819772 /nfs/dbraw/zinc/81/97/72/585819772.db2.gz CXHXEXREXMYZFQ-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1oncc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000782515499 585819773 /nfs/dbraw/zinc/81/97/73/585819773.db2.gz CXHXEXREXMYZFQ-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1ccncc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782583758 585820759 /nfs/dbraw/zinc/82/07/59/585820759.db2.gz LZOBUCCQMXICTB-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782583758 585820760 /nfs/dbraw/zinc/82/07/60/585820760.db2.gz LZOBUCCQMXICTB-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C/C=C\c1ccccc1 ZINC000782588574 585820934 /nfs/dbraw/zinc/82/09/34/585820934.db2.gz XQEIGYYRPXTANX-XURPKSDJSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1C/C=C\c1ccccc1 ZINC000782588574 585820935 /nfs/dbraw/zinc/82/09/35/585820935.db2.gz XQEIGYYRPXTANX-XURPKSDJSA-N 1 2 244.338 1.862 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)oc1C ZINC000782636324 585823522 /nfs/dbraw/zinc/82/35/22/585823522.db2.gz XTYMVIPIZDKUIB-PWSUYJOCSA-N 1 2 222.288 1.106 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)oc1C ZINC000782636324 585823523 /nfs/dbraw/zinc/82/35/23/585823523.db2.gz XTYMVIPIZDKUIB-PWSUYJOCSA-N 1 2 222.288 1.106 20 0 BDADLO COCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783157193 585828583 /nfs/dbraw/zinc/82/85/83/585828583.db2.gz NSLJLBYLVNTRBO-UHFFFAOYSA-N 1 2 240.278 1.903 20 0 BDADLO COC[C@@H](C)C[NH2+]c1ccc(OCCO)cc1 ZINC000783585166 585837528 /nfs/dbraw/zinc/83/75/28/585837528.db2.gz PVOAPIKNDDYSCB-NSHDSACASA-N 1 2 239.315 1.752 20 0 BDADLO Cn1cc[nH+]c1CSCCSCCO ZINC000783614707 585838517 /nfs/dbraw/zinc/83/85/17/585838517.db2.gz NJGDKVXPFDEMCB-UHFFFAOYSA-N 1 2 232.374 1.379 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccoc1 ZINC000783728296 585840813 /nfs/dbraw/zinc/84/08/13/585840813.db2.gz KWAHDQACFPQSAG-LBPRGKRZSA-N 1 2 236.315 1.626 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccoc1 ZINC000783728296 585840814 /nfs/dbraw/zinc/84/08/14/585840814.db2.gz KWAHDQACFPQSAG-LBPRGKRZSA-N 1 2 236.315 1.626 20 0 BDADLO C[C@H](c1nncn1C)[NH+]1CCC(F)(F)CC1 ZINC000805753163 585844642 /nfs/dbraw/zinc/84/46/42/585844642.db2.gz NKBQISXYYYPHFD-MRVPVSSYSA-N 1 2 230.262 1.607 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCCS1 ZINC000783947369 585846120 /nfs/dbraw/zinc/84/61/20/585846120.db2.gz FBAJIRIMDAKSMB-SNVBAGLBSA-N 1 2 240.328 1.712 20 0 BDADLO CC(C)[C@H](F)C(=O)NCc1[nH+]ccn1C ZINC000784396902 585858536 /nfs/dbraw/zinc/85/85/36/585858536.db2.gz VXYJGQWUSBVVNM-VIFPVBQESA-N 1 2 213.256 1.030 20 0 BDADLO CC(C)[C@H](F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000784410556 585858700 /nfs/dbraw/zinc/85/87/00/585858700.db2.gz ILNJGCNAXGVWAL-JTQLQIEISA-N 1 2 225.267 1.261 20 0 BDADLO CO[C@H](C)CCC(=O)OCCCn1cc[nH+]c1 ZINC000784646188 585865119 /nfs/dbraw/zinc/86/51/19/585865119.db2.gz LJEXTLMUWNXVBF-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1(C)CC1 ZINC000784906682 585868372 /nfs/dbraw/zinc/86/83/72/585868372.db2.gz JTAPLOLBCBMEBB-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO CCC1(C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000784920067 585868466 /nfs/dbraw/zinc/86/84/66/585868466.db2.gz YODYODJAYAKRFC-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CC/C=C(/C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784922433 585868480 /nfs/dbraw/zinc/86/84/80/585868480.db2.gz SSDOKXFGXSJNKJ-DKRCXCIFSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@@H](NC(=O)[C@H](O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785420758 585873365 /nfs/dbraw/zinc/87/33/65/585873365.db2.gz CAMRURMQBUDHOJ-BDAKNGLRSA-N 1 2 239.319 1.384 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785421635 585873499 /nfs/dbraw/zinc/87/34/99/585873499.db2.gz PSIXTYGXLMOOET-OTOXVQDCSA-N 1 2 207.277 1.943 20 0 BDADLO CC=C(C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785421635 585873500 /nfs/dbraw/zinc/87/35/00/585873500.db2.gz PSIXTYGXLMOOET-OTOXVQDCSA-N 1 2 207.277 1.943 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000785766843 585880234 /nfs/dbraw/zinc/88/02/34/585880234.db2.gz LRCAFZYSIVBYAG-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000785766843 585880235 /nfs/dbraw/zinc/88/02/35/585880235.db2.gz LRCAFZYSIVBYAG-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nonc2C)C1 ZINC000805819738 585897941 /nfs/dbraw/zinc/89/79/41/585897941.db2.gz YCNDCKZMHUWAAQ-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nonc2C)C1 ZINC000805819738 585897942 /nfs/dbraw/zinc/89/79/42/585897942.db2.gz YCNDCKZMHUWAAQ-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(Cl)cs1 ZINC000787123743 585901674 /nfs/dbraw/zinc/90/16/74/585901674.db2.gz LPGXXOJKONHHES-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(Cl)cs1 ZINC000787123743 585901675 /nfs/dbraw/zinc/90/16/75/585901675.db2.gz LPGXXOJKONHHES-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000787183895 585902383 /nfs/dbraw/zinc/90/23/83/585902383.db2.gz FRDFRFARPOWAAL-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Nc1cc(COC(=O)c2ccc(O)cc2)cc[nH+]1 ZINC000787579649 585912445 /nfs/dbraw/zinc/91/24/45/585912445.db2.gz XBAGXXBCPSIPCN-UHFFFAOYSA-N 1 2 244.250 1.726 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000788747976 585929926 /nfs/dbraw/zinc/92/99/26/585929926.db2.gz PTJVBCDZYHRJSS-JXMFCEOTSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H](O)CCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000789367642 585941419 /nfs/dbraw/zinc/94/14/19/585941419.db2.gz QKZZUHBJRBDMLD-VIFPVBQESA-N 1 2 245.754 1.666 20 0 BDADLO C[C@H](O)CCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000789367642 585941420 /nfs/dbraw/zinc/94/14/20/585941420.db2.gz QKZZUHBJRBDMLD-VIFPVBQESA-N 1 2 245.754 1.666 20 0 BDADLO CCCCC[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000789575544 585944344 /nfs/dbraw/zinc/94/43/44/585944344.db2.gz ASAQHCVXQNKRTM-HTAVTVPLSA-N 1 2 243.347 1.875 20 0 BDADLO CC(C)(C)OCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789612805 585946499 /nfs/dbraw/zinc/94/64/99/585946499.db2.gz VMOUAPXUKBAVOI-VIFPVBQESA-N 1 2 230.308 1.479 20 0 BDADLO NC(=[NH+]OCCCCCF)[C@H]1CCCO1 ZINC000789611324 585946534 /nfs/dbraw/zinc/94/65/34/585946534.db2.gz RCXOMHJJVMJBKV-SECBINFHSA-N 1 2 218.272 1.804 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC=CCC1 ZINC000789777813 585949728 /nfs/dbraw/zinc/94/97/28/585949728.db2.gz WSJTWCKJBQJMMQ-LLVKDONJSA-N 1 2 234.299 1.862 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+]([C@@H]2CCOC2=O)CCO1 ZINC000790430986 585964542 /nfs/dbraw/zinc/96/45/42/585964542.db2.gz HAEYIJHTOOTCOS-NXEZZACHSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+]([C@@H]2CCOC2=O)CCO1 ZINC000790430986 585964543 /nfs/dbraw/zinc/96/45/43/585964543.db2.gz HAEYIJHTOOTCOS-NXEZZACHSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](CN2CCCC2=O)CCO1 ZINC000790431762 585964552 /nfs/dbraw/zinc/96/45/52/585964552.db2.gz UCZIINIRQLFXMP-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](CN2CCCC2=O)CCO1 ZINC000790431762 585964553 /nfs/dbraw/zinc/96/45/53/585964553.db2.gz UCZIINIRQLFXMP-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO C[C@H]1CCSCC[N@@H+]1Cn1ccsc1=O ZINC000790478487 585965246 /nfs/dbraw/zinc/96/52/46/585965246.db2.gz PDRXPHJEMNJWHB-VIFPVBQESA-N 1 2 244.385 1.695 20 0 BDADLO C[C@H]1CCSCC[N@H+]1Cn1ccsc1=O ZINC000790478487 585965247 /nfs/dbraw/zinc/96/52/47/585965247.db2.gz PDRXPHJEMNJWHB-VIFPVBQESA-N 1 2 244.385 1.695 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C)c1Cl ZINC000790984045 585971428 /nfs/dbraw/zinc/97/14/28/585971428.db2.gz CESJTLJWNZTTKK-ZETCQYMHSA-N 1 2 242.710 1.404 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1Cl ZINC000790984045 585971429 /nfs/dbraw/zinc/97/14/29/585971429.db2.gz CESJTLJWNZTTKK-ZETCQYMHSA-N 1 2 242.710 1.404 20 0 BDADLO COC/C=C\C(=O)Nc1c[nH+]ccc1OC ZINC000791345009 585978152 /nfs/dbraw/zinc/97/81/52/585978152.db2.gz PJSHGNVVXVYCMA-ARJAWSKDSA-N 1 2 222.244 1.231 20 0 BDADLO COc1ccc2nc(C[NH+]3[C@@H](C)C[C@@H]3C)[nH]c2n1 ZINC000791575097 585984378 /nfs/dbraw/zinc/98/43/78/585984378.db2.gz AMJKVWWQXRMOBB-IUCAKERBSA-N 1 2 246.314 1.949 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1[C@@H]1CCOC1=O ZINC000791579528 585984600 /nfs/dbraw/zinc/98/46/00/585984600.db2.gz QVQCAITVHUNQDJ-GJMOJQLCSA-N 1 2 237.221 1.575 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1[C@@H]1CCOC1=O ZINC000791579528 585984601 /nfs/dbraw/zinc/98/46/01/585984601.db2.gz QVQCAITVHUNQDJ-GJMOJQLCSA-N 1 2 237.221 1.575 20 0 BDADLO Cc1c(C(=O)OCc2cc[nH+]c(N)c2)cnn1C ZINC000791662365 585986111 /nfs/dbraw/zinc/98/61/11/585986111.db2.gz VHHAUSHAAYJMLG-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000792198776 585997361 /nfs/dbraw/zinc/99/73/61/585997361.db2.gz CAZBIEGUBQLYRX-MWLCHTKSSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1cnccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792202232 585997830 /nfs/dbraw/zinc/99/78/30/585997830.db2.gz NWLXUEPRCGMOSS-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CC(C)(C)OC[C@@H]2C)C1 ZINC000792726271 586004548 /nfs/dbraw/zinc/00/45/48/586004548.db2.gz BOWCQROBUQITRV-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CC(C)(C)OC[C@@H]2C)C1 ZINC000792726271 586004549 /nfs/dbraw/zinc/00/45/49/586004549.db2.gz BOWCQROBUQITRV-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792876307 586006141 /nfs/dbraw/zinc/00/61/41/586006141.db2.gz USKUUKDQXUVCOF-UHFFFAOYSA-N 1 2 209.264 1.737 20 0 BDADLO Cc1cccnc1C(=O)OCCc1c[nH+]cn1C ZINC000793252046 586015097 /nfs/dbraw/zinc/01/50/97/586015097.db2.gz DFDKJWMJCZEJAN-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@]1(C)CCCO1 ZINC000793254683 586015353 /nfs/dbraw/zinc/01/53/53/586015353.db2.gz DQPHWCCDAIIALL-LBPRGKRZSA-N 1 2 238.287 1.075 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccnc(F)c2)C1 ZINC000859281415 589027481 /nfs/dbraw/zinc/02/74/81/589027481.db2.gz QRYZTHFNMNGEFW-UHFFFAOYSA-N 1 2 224.279 1.423 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CN1C[C@H](C(F)F)CC1=O ZINC000793808493 586026832 /nfs/dbraw/zinc/02/68/32/586026832.db2.gz HBKWZBZJLDVVQR-RKDXNWHRSA-N 1 2 232.274 1.542 20 0 BDADLO CC[C@@H]1CC[N@H+]1CN1C[C@H](C(F)F)CC1=O ZINC000793808493 586026833 /nfs/dbraw/zinc/02/68/33/586026833.db2.gz HBKWZBZJLDVVQR-RKDXNWHRSA-N 1 2 232.274 1.542 20 0 BDADLO C[C@@H]1CC(=O)N(C[NH+]2CCC(F)(F)CC2)C1 ZINC000794684822 586046649 /nfs/dbraw/zinc/04/66/49/586046649.db2.gz BTDSEQSJQBRMNS-SECBINFHSA-N 1 2 232.274 1.543 20 0 BDADLO CC(=O)CC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000796307699 586100082 /nfs/dbraw/zinc/10/00/82/586100082.db2.gz CJNZZVKZBKWBAL-VXNVDRBHSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000796307699 586100083 /nfs/dbraw/zinc/10/00/83/586100083.db2.gz CJNZZVKZBKWBAL-VXNVDRBHSA-N 1 2 239.237 1.617 20 0 BDADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCF)C1 ZINC000796298379 586100199 /nfs/dbraw/zinc/10/01/99/586100199.db2.gz LFFFEVHXZUNSHP-QMMMGPOBSA-N 1 2 243.200 1.383 20 0 BDADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCF)C1 ZINC000796298379 586100200 /nfs/dbraw/zinc/10/02/00/586100200.db2.gz LFFFEVHXZUNSHP-QMMMGPOBSA-N 1 2 243.200 1.383 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H](C)[S@@]1=O ZINC000796366427 586101541 /nfs/dbraw/zinc/10/15/41/586101541.db2.gz LJGCTVFIUNCTOK-QJUSXJSGSA-N 1 2 235.780 1.970 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H](C)[S@@]1=O ZINC000796366427 586101542 /nfs/dbraw/zinc/10/15/42/586101542.db2.gz LJGCTVFIUNCTOK-QJUSXJSGSA-N 1 2 235.780 1.970 20 0 BDADLO CC[C@@H]1C[N@H+](CCC(C)=O)C[C@H](C)[S@@]1=O ZINC000796373270 586102088 /nfs/dbraw/zinc/10/20/88/586102088.db2.gz AHEMUGUKJJGNDV-RWSFTLGLSA-N 1 2 231.361 1.197 20 0 BDADLO CC[C@@H]1C[N@@H+](CCC(C)=O)C[C@H](C)[S@@]1=O ZINC000796373270 586102089 /nfs/dbraw/zinc/10/20/89/586102089.db2.gz AHEMUGUKJJGNDV-RWSFTLGLSA-N 1 2 231.361 1.197 20 0 BDADLO CC[C@@](C)(OC)C(=O)OCCn1cc[nH+]c1 ZINC000796395380 586102589 /nfs/dbraw/zinc/10/25/89/586102589.db2.gz CWMHJIWJAMAYDO-LLVKDONJSA-N 1 2 226.276 1.241 20 0 BDADLO CON(Cc1c[nH+]cn1C)CC(C)(C)C ZINC000796477133 586104805 /nfs/dbraw/zinc/10/48/05/586104805.db2.gz DLLMYJRMQLCCLO-UHFFFAOYSA-N 1 2 211.309 1.830 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000796497517 586105036 /nfs/dbraw/zinc/10/50/36/586105036.db2.gz AKVOVFGINVMEIC-RQJHMYQMSA-N 1 2 240.130 1.674 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000796497517 586105037 /nfs/dbraw/zinc/10/50/37/586105037.db2.gz AKVOVFGINVMEIC-RQJHMYQMSA-N 1 2 240.130 1.674 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796540302 586106512 /nfs/dbraw/zinc/10/65/12/586106512.db2.gz RNQOQWOEUAKVCO-JTQLQIEISA-N 1 2 248.317 1.878 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000796690878 586110246 /nfs/dbraw/zinc/11/02/46/586110246.db2.gz BZPDBCAGZGHDBF-LLVKDONJSA-N 1 2 237.303 1.884 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000796690878 586110247 /nfs/dbraw/zinc/11/02/47/586110247.db2.gz BZPDBCAGZGHDBF-LLVKDONJSA-N 1 2 237.303 1.884 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C(C)(C)C(F)F ZINC000796742246 586111308 /nfs/dbraw/zinc/11/13/08/586111308.db2.gz HUOSPFRTMUZWIE-UHFFFAOYSA-N 1 2 232.230 1.755 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCC(F)(F)C1 ZINC000796741488 586111382 /nfs/dbraw/zinc/11/13/82/586111382.db2.gz VXEAFKYBTRVMLA-QMMMGPOBSA-N 1 2 244.241 1.899 20 0 BDADLO CCOC(=O)c1cnn(C[N@@H+]2CCC=C(C)C2)c1 ZINC000797822791 586132311 /nfs/dbraw/zinc/13/23/11/586132311.db2.gz SDCNLHGNIYRLDH-UHFFFAOYSA-N 1 2 249.314 1.669 20 0 BDADLO CCOC(=O)c1cnn(C[N@H+]2CCC=C(C)C2)c1 ZINC000797822791 586132312 /nfs/dbraw/zinc/13/23/12/586132312.db2.gz SDCNLHGNIYRLDH-UHFFFAOYSA-N 1 2 249.314 1.669 20 0 BDADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)C1CC1 ZINC000798623782 586146410 /nfs/dbraw/zinc/14/64/10/586146410.db2.gz UYZYJRYFBPFCSP-ONGXEEELSA-N 1 2 239.315 1.382 20 0 BDADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)C1CC1 ZINC000798623782 586146411 /nfs/dbraw/zinc/14/64/11/586146411.db2.gz UYZYJRYFBPFCSP-ONGXEEELSA-N 1 2 239.315 1.382 20 0 BDADLO CSCCC[N@H+](C)Cn1ccsc1=O ZINC000799160144 586163122 /nfs/dbraw/zinc/16/31/22/586163122.db2.gz DMQLWAJPPOIGFP-UHFFFAOYSA-N 1 2 232.374 1.552 20 0 BDADLO CSCCC[N@@H+](C)Cn1ccsc1=O ZINC000799160144 586163124 /nfs/dbraw/zinc/16/31/24/586163124.db2.gz DMQLWAJPPOIGFP-UHFFFAOYSA-N 1 2 232.374 1.552 20 0 BDADLO CCOCC1(C(=O)OCc2c[nH+]cn2C)CC1 ZINC000799614155 586186244 /nfs/dbraw/zinc/18/62/44/586186244.db2.gz AZGSNSXTLUDWRP-UHFFFAOYSA-N 1 2 238.287 1.280 20 0 BDADLO C[C@H]1CN(C(=O)c2cc(C3CC3)no2)CC[N@@H+]1C ZINC000799644405 586187390 /nfs/dbraw/zinc/18/73/90/586187390.db2.gz IXZCTTIIPZSBHP-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1CN(C(=O)c2cc(C3CC3)no2)CC[N@H+]1C ZINC000799644405 586187392 /nfs/dbraw/zinc/18/73/92/586187392.db2.gz IXZCTTIIPZSBHP-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000800395106 586215749 /nfs/dbraw/zinc/21/57/49/586215749.db2.gz OWNNESKBUKUGPU-KKZNHRDASA-N 1 2 238.287 1.277 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801568067 586261192 /nfs/dbraw/zinc/26/11/92/586261192.db2.gz XAOQQMQXURZXEB-UWVGGRQHSA-N 1 2 249.301 1.910 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801568067 586261194 /nfs/dbraw/zinc/26/11/94/586261194.db2.gz XAOQQMQXURZXEB-UWVGGRQHSA-N 1 2 249.301 1.910 20 0 BDADLO CC(C)COCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561413 586262695 /nfs/dbraw/zinc/26/26/95/586262695.db2.gz VTPVYMLHZNTOIT-SNVBAGLBSA-N 1 2 237.290 1.625 20 0 BDADLO CC(C)COCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801561413 586262698 /nfs/dbraw/zinc/26/26/98/586262698.db2.gz VTPVYMLHZNTOIT-SNVBAGLBSA-N 1 2 237.290 1.625 20 0 BDADLO CCN1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)C1=O ZINC000801684206 586268664 /nfs/dbraw/zinc/26/86/64/586268664.db2.gz VLICWRZBYGDQOQ-SNVBAGLBSA-N 1 2 248.330 1.633 20 0 BDADLO COC(C[N@@H+]1Cc2ccc(O)cc2C1)OC ZINC000859477086 589040088 /nfs/dbraw/zinc/04/00/88/589040088.db2.gz HEOSEZTYOHTYDX-UHFFFAOYSA-N 1 2 223.272 1.327 20 0 BDADLO COC(C[N@H+]1Cc2ccc(O)cc2C1)OC ZINC000859477086 589040089 /nfs/dbraw/zinc/04/00/89/589040089.db2.gz HEOSEZTYOHTYDX-UHFFFAOYSA-N 1 2 223.272 1.327 20 0 BDADLO C[C@H]1CN(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@@H]1C ZINC000839950134 586284905 /nfs/dbraw/zinc/28/49/05/586284905.db2.gz OOPWUTXMEVHLDQ-NNYUYHANSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CN(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@@H]1C ZINC000839950134 586284907 /nfs/dbraw/zinc/28/49/07/586284907.db2.gz OOPWUTXMEVHLDQ-NNYUYHANSA-N 1 2 240.347 1.168 20 0 BDADLO CC(C)[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802231244 586297259 /nfs/dbraw/zinc/29/72/59/586297259.db2.gz AOKOYEUPKPMOPB-MNOVXSKESA-N 1 2 231.311 1.866 20 0 BDADLO CC(C)[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802231244 586297260 /nfs/dbraw/zinc/29/72/60/586297260.db2.gz AOKOYEUPKPMOPB-MNOVXSKESA-N 1 2 231.311 1.866 20 0 BDADLO CSC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CC1 ZINC000802230768 586297706 /nfs/dbraw/zinc/29/77/06/586297706.db2.gz OTVIFDUXSHCUII-VIFPVBQESA-N 1 2 247.335 1.469 20 0 BDADLO CSC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802230768 586297707 /nfs/dbraw/zinc/29/77/07/586297707.db2.gz OTVIFDUXSHCUII-VIFPVBQESA-N 1 2 247.335 1.469 20 0 BDADLO CC(C)(C)OCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239717 586298729 /nfs/dbraw/zinc/29/87/29/586298729.db2.gz XWAIUBCEJZDDNL-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO CC(C)(C)OCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239717 586298730 /nfs/dbraw/zinc/29/87/30/586298730.db2.gz XWAIUBCEJZDDNL-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO Cc1ncoc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802240894 586299069 /nfs/dbraw/zinc/29/90/69/586299069.db2.gz GLFXGKLVEQWMPU-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO Cc1ncoc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240894 586299072 /nfs/dbraw/zinc/29/90/72/586299072.db2.gz GLFXGKLVEQWMPU-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO C/C=C(/C)C(=O)OC1C[NH+](CCOCC)C1 ZINC000802772846 586313549 /nfs/dbraw/zinc/31/35/49/586313549.db2.gz WNUIKEBULDOCEQ-WMZJFQQLSA-N 1 2 227.304 1.217 20 0 BDADLO C[C@H](C(=O)OCCCCF)[NH+]1CCSCC1 ZINC000803405510 586352175 /nfs/dbraw/zinc/35/21/75/586352175.db2.gz KWOSRFAFRJOCGH-SNVBAGLBSA-N 1 2 249.351 1.717 20 0 BDADLO Cc1ccnc(C[NH+](C2CC2)C2CC2)n1 ZINC000859626660 589048787 /nfs/dbraw/zinc/04/87/87/589048787.db2.gz GQAOMGZNIUJOPF-UHFFFAOYSA-N 1 2 203.289 1.912 20 0 BDADLO CCC/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333537 586391291 /nfs/dbraw/zinc/39/12/91/586391291.db2.gz LOKOBDMSALRBRE-WYGGZMRJSA-N 1 2 233.315 1.670 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335411 586391554 /nfs/dbraw/zinc/39/15/54/586391554.db2.gz YSZNGSQKIPPGTD-MLRMMBSGSA-N 1 2 247.342 1.916 20 0 BDADLO C/C(=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804334910 586391728 /nfs/dbraw/zinc/39/17/28/586391728.db2.gz MQJVIZIOOXKQEE-GCZGVDRJSA-N 1 2 245.326 1.670 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337330 586392109 /nfs/dbraw/zinc/39/21/09/586392109.db2.gz YGOPQTSMEVMOGA-KSXVILFYSA-N 1 2 219.288 1.280 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337194 586392274 /nfs/dbraw/zinc/39/22/74/586392274.db2.gz WLECNUAVCDBMSS-LLMHMKPQSA-N 1 2 233.315 1.670 20 0 BDADLO O=C1c2ncccc2CN1C[N@H+]1CC=CCC1 ZINC000840043521 586392569 /nfs/dbraw/zinc/39/25/69/586392569.db2.gz TYALXWNWPYQUQT-UHFFFAOYSA-N 1 2 229.283 1.257 20 0 BDADLO O=C1c2ncccc2CN1C[N@@H+]1CC=CCC1 ZINC000840043521 586392571 /nfs/dbraw/zinc/39/25/71/586392571.db2.gz TYALXWNWPYQUQT-UHFFFAOYSA-N 1 2 229.283 1.257 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840043574 586392893 /nfs/dbraw/zinc/39/28/93/586392893.db2.gz ULVKFXWSKZCESO-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840043574 586392896 /nfs/dbraw/zinc/39/28/96/586392896.db2.gz ULVKFXWSKZCESO-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCC(C)(C)C2=O)C[C@H]1F ZINC000840043919 586393200 /nfs/dbraw/zinc/39/32/00/586393200.db2.gz WKSLXSFQNQMOCX-GHMZBOCLSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCC(C)(C)C2=O)C[C@H]1F ZINC000840043919 586393203 /nfs/dbraw/zinc/39/32/03/586393203.db2.gz WKSLXSFQNQMOCX-GHMZBOCLSA-N 1 2 242.338 1.882 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cn1cc(C)cnc1=S ZINC000840082311 586422397 /nfs/dbraw/zinc/42/23/97/586422397.db2.gz AQAZLDPAKGBZKD-JTQLQIEISA-N 1 2 239.344 1.599 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cn1cc(C)cnc1=S ZINC000840082311 586422399 /nfs/dbraw/zinc/42/23/99/586422399.db2.gz AQAZLDPAKGBZKD-JTQLQIEISA-N 1 2 239.344 1.599 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cn1cccnc1=S ZINC000840084549 586423982 /nfs/dbraw/zinc/42/39/82/586423982.db2.gz UHKXJZWIBDTTFB-VIFPVBQESA-N 1 2 225.317 1.291 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cn1cccnc1=S ZINC000840084549 586423985 /nfs/dbraw/zinc/42/39/85/586423985.db2.gz UHKXJZWIBDTTFB-VIFPVBQESA-N 1 2 225.317 1.291 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCC=CO1 ZINC000807320186 586434925 /nfs/dbraw/zinc/43/49/25/586434925.db2.gz HBIQLEIUBNAADP-SNVBAGLBSA-N 1 2 235.287 1.151 20 0 BDADLO CC[NH2+]Cc1noc(COc2cc(C)on2)n1 ZINC000843145434 586445073 /nfs/dbraw/zinc/44/50/73/586445073.db2.gz LDCDMKCMUAVXJX-UHFFFAOYSA-N 1 2 238.247 1.055 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2CCCC2=O)C1 ZINC000840098846 586445759 /nfs/dbraw/zinc/44/57/59/586445759.db2.gz FFNNTPZKDHCITB-LLVKDONJSA-N 1 2 214.284 1.390 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2CCCC2=O)C1 ZINC000840098846 586445760 /nfs/dbraw/zinc/44/57/60/586445760.db2.gz FFNNTPZKDHCITB-LLVKDONJSA-N 1 2 214.284 1.390 20 0 BDADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@H+]1CC[C@H](F)C1 ZINC000840102640 586446463 /nfs/dbraw/zinc/44/64/63/586446463.db2.gz YJUJOAZGHAXSGF-OUAUKWLOSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@@H+]1CC[C@H](F)C1 ZINC000840102640 586446465 /nfs/dbraw/zinc/44/64/65/586446465.db2.gz YJUJOAZGHAXSGF-OUAUKWLOSA-N 1 2 226.295 1.246 20 0 BDADLO CC1(C)CC(=O)N(C[NH+]2CCC(F)(F)CC2)C1 ZINC000808184053 586467115 /nfs/dbraw/zinc/46/71/15/586467115.db2.gz VTJGXQXBCGUWSL-UHFFFAOYSA-N 1 2 246.301 1.934 20 0 BDADLO COc1ccc(C[NH2+]Cc2cn(C)cn2)c(F)c1 ZINC000808396356 586470927 /nfs/dbraw/zinc/47/09/27/586470927.db2.gz XLFSYIRFCZDMBZ-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO CCOc1cccc(NCc2cn(C)c[nH+]2)n1 ZINC000808396157 586470959 /nfs/dbraw/zinc/47/09/59/586470959.db2.gz LXQAJZMURFZUDT-UHFFFAOYSA-N 1 2 232.287 1.826 20 0 BDADLO CN(C)c1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000808417934 586471663 /nfs/dbraw/zinc/47/16/63/586471663.db2.gz FWXKZPFXSBTMKQ-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO CC(C)C(=O)CC[N@H+](C)Cc1cc[nH]n1 ZINC000808726792 586485207 /nfs/dbraw/zinc/48/52/07/586485207.db2.gz NZHIJTGDWFHQOW-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC(C)C(=O)CC[N@@H+](C)Cc1cc[nH]n1 ZINC000808726792 586485208 /nfs/dbraw/zinc/48/52/08/586485208.db2.gz NZHIJTGDWFHQOW-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC[N@H+](CCC(=O)C(C)C)Cc1cn(C)nn1 ZINC000808746274 586487666 /nfs/dbraw/zinc/48/76/66/586487666.db2.gz LWUOTCNCHLPIOO-UHFFFAOYSA-N 1 2 238.335 1.252 20 0 BDADLO CC[N@@H+](CCC(=O)C(C)C)Cc1cn(C)nn1 ZINC000808746274 586487668 /nfs/dbraw/zinc/48/76/68/586487668.db2.gz LWUOTCNCHLPIOO-UHFFFAOYSA-N 1 2 238.335 1.252 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000808757043 586489092 /nfs/dbraw/zinc/48/90/92/586489092.db2.gz COEDJBCJDLHDGD-SNVBAGLBSA-N 1 2 235.274 1.568 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000808757043 586489094 /nfs/dbraw/zinc/48/90/94/586489094.db2.gz COEDJBCJDLHDGD-SNVBAGLBSA-N 1 2 235.274 1.568 20 0 BDADLO CC(=O)c1nccn1Cc1ccc[nH+]c1C ZINC000810008317 586530812 /nfs/dbraw/zinc/53/08/12/586530812.db2.gz GHDBRHXZBFEAPQ-UHFFFAOYSA-N 1 2 215.256 1.837 20 0 BDADLO Cn1c[nH+]c(CNc2cccc3[nH]c(=O)oc32)c1 ZINC000810160980 586536367 /nfs/dbraw/zinc/53/63/67/586536367.db2.gz BISRFYHFIYHMGR-UHFFFAOYSA-N 1 2 244.254 1.879 20 0 BDADLO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000810204598 586536633 /nfs/dbraw/zinc/53/66/33/586536633.db2.gz BKQWATRFJFHXRJ-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000810204598 586536634 /nfs/dbraw/zinc/53/66/34/586536634.db2.gz BKQWATRFJFHXRJ-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204598 586536636 /nfs/dbraw/zinc/53/66/36/586536636.db2.gz BKQWATRFJFHXRJ-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204598 586536638 /nfs/dbraw/zinc/53/66/38/586536638.db2.gz BKQWATRFJFHXRJ-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCC2 ZINC000810754534 586546175 /nfs/dbraw/zinc/54/61/75/586546175.db2.gz HCBLXYKONKJKLJ-SNVBAGLBSA-N 1 2 219.288 1.227 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1(CCF)CC1 ZINC000810754224 586546345 /nfs/dbraw/zinc/54/63/45/586546345.db2.gz UKANSBDAMUJLTP-SNVBAGLBSA-N 1 2 247.285 1.713 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1(CCF)CC1 ZINC000810754224 586546346 /nfs/dbraw/zinc/54/63/46/586546346.db2.gz UKANSBDAMUJLTP-SNVBAGLBSA-N 1 2 247.285 1.713 20 0 BDADLO CC(C)n1cnc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000811212047 586557198 /nfs/dbraw/zinc/55/71/98/586557198.db2.gz MZSLKVQIHZTPTD-UHFFFAOYSA-N 1 2 248.286 1.518 20 0 BDADLO OCc1ccc(NCc2ccc(F)nc2)[nH+]c1 ZINC000811501181 586559857 /nfs/dbraw/zinc/55/98/57/586559857.db2.gz GFUPBTNSQUXDEX-UHFFFAOYSA-N 1 2 233.246 1.720 20 0 BDADLO CC(C)CNC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712187 586566164 /nfs/dbraw/zinc/56/61/64/586566164.db2.gz KUKFUBTXLZNPRU-UHFFFAOYSA-N 1 2 238.360 1.229 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCCC1 ZINC000811808390 586566868 /nfs/dbraw/zinc/56/68/68/586566868.db2.gz HGMJYTUVDHCBJA-SNVBAGLBSA-N 1 2 248.330 1.463 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCC1 ZINC000811808390 586566869 /nfs/dbraw/zinc/56/68/69/586566869.db2.gz HGMJYTUVDHCBJA-SNVBAGLBSA-N 1 2 248.330 1.463 20 0 BDADLO C[C@H](CNC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000811892152 586568372 /nfs/dbraw/zinc/56/83/72/586568372.db2.gz LQRFIUVHLQUFPO-SECBINFHSA-N 1 2 236.319 1.265 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000813088695 586591217 /nfs/dbraw/zinc/59/12/17/586591217.db2.gz ZSNYONODVUYTBT-ZYHUDNBSSA-N 1 2 236.315 1.942 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2conc2C)C1 ZINC000816520705 586738214 /nfs/dbraw/zinc/73/82/14/586738214.db2.gz WCFOWKSXCQEDQB-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2conc2C)C1 ZINC000816520705 586738216 /nfs/dbraw/zinc/73/82/16/586738216.db2.gz WCFOWKSXCQEDQB-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1Cl)[C@@H]1CCOC1 ZINC000816617412 586744524 /nfs/dbraw/zinc/74/45/24/586744524.db2.gz YBXUIXUIVYCVKN-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1Cl)[C@@H]1CCOC1 ZINC000816617412 586744526 /nfs/dbraw/zinc/74/45/26/586744526.db2.gz YBXUIXUIVYCVKN-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H](NC(=O)C1SCCS1)c1[nH]cc[nH+]1 ZINC000816719043 586760050 /nfs/dbraw/zinc/76/00/50/586760050.db2.gz MXDMKODTFRPQET-ZCFIWIBFSA-N 1 2 243.357 1.393 20 0 BDADLO C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C[NH+](C)C ZINC000816721547 586760432 /nfs/dbraw/zinc/76/04/32/586760432.db2.gz FOACDZSICKSHDM-RNFRBKRXSA-N 1 2 244.232 1.201 20 0 BDADLO C[C@H](CNC(=O)C(F)C(F)(F)F)C[NH+](C)C ZINC000816721547 586760433 /nfs/dbraw/zinc/76/04/33/586760433.db2.gz FOACDZSICKSHDM-RNFRBKRXSA-N 1 2 244.232 1.201 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816815319 586765969 /nfs/dbraw/zinc/76/59/69/586765969.db2.gz RWDRKWSTDLMKFJ-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](CCc1ccco1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816821567 586766181 /nfs/dbraw/zinc/76/61/81/586766181.db2.gz FPPFKYKBVMVHOP-JTQLQIEISA-N 1 2 247.298 1.683 20 0 BDADLO CC(=O)c1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816840195 586767632 /nfs/dbraw/zinc/76/76/32/586767632.db2.gz FOBWOVUSSUXPPI-UHFFFAOYSA-N 1 2 243.266 1.794 20 0 BDADLO CC(C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816857385 586768304 /nfs/dbraw/zinc/76/83/04/586768304.db2.gz FUSYLEUCLJOXFY-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO C[C@H](c1ccco1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816858432 586768444 /nfs/dbraw/zinc/76/84/44/586768444.db2.gz OMGFYHLKTZNZIG-SECBINFHSA-N 1 2 233.271 1.765 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000859829112 589064478 /nfs/dbraw/zinc/06/44/78/589064478.db2.gz LEYNEYXZXLTQCT-BLFANLJRSA-N 1 2 243.347 1.587 20 0 BDADLO CN(CCc1ccncc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816908441 586770802 /nfs/dbraw/zinc/77/08/02/586770802.db2.gz FLTHJKKLICVSQR-UHFFFAOYSA-N 1 2 244.298 1.048 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000816970666 586775743 /nfs/dbraw/zinc/77/57/43/586775743.db2.gz GSGKMIDCGNSULT-QWRGUYRKSA-N 1 2 249.314 1.026 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)/C=C/SC ZINC000817087248 586781222 /nfs/dbraw/zinc/78/12/22/586781222.db2.gz HVOARZOTRNOHOR-GQCTYLIASA-N 1 2 238.312 1.583 20 0 BDADLO CON(C)C(=O)CNc1cc[nH+]c(C(C)C)n1 ZINC000817125678 586782716 /nfs/dbraw/zinc/78/27/16/586782716.db2.gz SXWPGPYUKZHBRU-UHFFFAOYSA-N 1 2 238.291 1.032 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CC12CC2 ZINC000817232960 586787979 /nfs/dbraw/zinc/78/79/79/586787979.db2.gz PSPGDRVDPGDFDK-JTQLQIEISA-N 1 2 233.267 1.934 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@]1(C)CC1(F)F ZINC000817720509 586820436 /nfs/dbraw/zinc/82/04/36/586820436.db2.gz SWTYWVZUPVBZJP-SECBINFHSA-N 1 2 230.214 1.509 20 0 BDADLO CCON(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817786178 586828137 /nfs/dbraw/zinc/82/81/37/586828137.db2.gz SGYZFAIZOHRQOM-UHFFFAOYSA-N 1 2 237.303 1.791 20 0 BDADLO CCO[C@H](C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000859865691 589067975 /nfs/dbraw/zinc/06/79/75/589067975.db2.gz QNVDEQGJEDMNKT-NSHDSACASA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)c1nc(NC[C@H]2CCCNC2=O)cc[nH+]1 ZINC000840349346 586828820 /nfs/dbraw/zinc/82/88/20/586828820.db2.gz HCUWXWGOFAIYMB-SNVBAGLBSA-N 1 2 248.330 1.538 20 0 BDADLO FCC[C@@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000859904141 589069784 /nfs/dbraw/zinc/06/97/84/589069784.db2.gz WOYLYDSEOTWLMF-FAIQTLDISA-N 1 2 207.676 1.799 20 0 BDADLO FCC[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000859904141 589069786 /nfs/dbraw/zinc/06/97/86/589069786.db2.gz WOYLYDSEOTWLMF-FAIQTLDISA-N 1 2 207.676 1.799 20 0 BDADLO COc1cccc2c1C[N@H+](CC(OC)OC)C2 ZINC000859939751 589072143 /nfs/dbraw/zinc/07/21/43/589072143.db2.gz PKNGJCYOEXMUJW-UHFFFAOYSA-N 1 2 237.299 1.630 20 0 BDADLO COc1cccc2c1C[N@@H+](CC(OC)OC)C2 ZINC000859939751 589072144 /nfs/dbraw/zinc/07/21/44/589072144.db2.gz PKNGJCYOEXMUJW-UHFFFAOYSA-N 1 2 237.299 1.630 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccc(C)nc2)n1 ZINC000818223456 586880563 /nfs/dbraw/zinc/88/05/63/586880563.db2.gz XBNLCUJTFLZZMC-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO CC(F)(F)CNC(=O)c1cccc2[nH+]ccn21 ZINC000818261451 586882955 /nfs/dbraw/zinc/88/29/55/586882955.db2.gz PDMBKEBKMMFQNP-UHFFFAOYSA-N 1 2 239.225 1.719 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000818345064 586887297 /nfs/dbraw/zinc/88/72/97/586887297.db2.gz IXCDFNVJXWTNBH-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO C[N@H+](C/C(Cl)=C\Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960053 589074059 /nfs/dbraw/zinc/07/40/59/589074059.db2.gz HOTBSAGECLUOSO-ZOMJGMAFSA-N 1 2 237.130 1.501 20 0 BDADLO C[N@@H+](C/C(Cl)=C\Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960053 589074061 /nfs/dbraw/zinc/07/40/61/589074061.db2.gz HOTBSAGECLUOSO-ZOMJGMAFSA-N 1 2 237.130 1.501 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C/[C@@H]1CCCO1 ZINC000819346201 586954858 /nfs/dbraw/zinc/95/48/58/586954858.db2.gz UGOSJLCRCXJFIH-YEZKRMTDSA-N 1 2 235.287 1.070 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C/[C@H]1CCCO1 ZINC000819346199 586955058 /nfs/dbraw/zinc/95/50/58/586955058.db2.gz UGOSJLCRCXJFIH-ORAHPGNNSA-N 1 2 235.287 1.070 20 0 BDADLO COC[C@@H](O)CNc1ccc([NH+](C)C)cc1C ZINC000819410223 586961902 /nfs/dbraw/zinc/96/19/02/586961902.db2.gz YSQMORKOIJANII-LBPRGKRZSA-N 1 2 238.331 1.480 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccns1 ZINC000860058801 589077599 /nfs/dbraw/zinc/07/75/99/589077599.db2.gz ORCMTYQRIGMTFT-SSDOTTSWSA-N 1 2 249.343 1.989 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccns1 ZINC000860057839 589077813 /nfs/dbraw/zinc/07/78/13/589077813.db2.gz BSQDJZVDSZPDKK-RQJHMYQMSA-N 1 2 238.320 1.078 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccns1 ZINC000860062376 589078519 /nfs/dbraw/zinc/07/85/19/589078519.db2.gz WAGKLPVEYQZEAA-LURJTMIESA-N 1 2 209.278 1.112 20 0 BDADLO CCOCCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819763946 586990696 /nfs/dbraw/zinc/99/06/96/586990696.db2.gz JAJHUSHPMUWULT-QMMMGPOBSA-N 1 2 230.333 1.411 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)C[C@H]2C=CCC2)S1 ZINC000819766668 586991509 /nfs/dbraw/zinc/99/15/09/586991509.db2.gz HSWVQLGMGGLLAR-IUCAKERBSA-N 1 2 224.329 1.950 20 0 BDADLO CS[C@@H](C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775498 586992287 /nfs/dbraw/zinc/99/22/87/586992287.db2.gz CVRJLXVGRPRLLO-BQBZGAKWSA-N 1 2 232.374 1.736 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819782488 586994764 /nfs/dbraw/zinc/99/47/64/586994764.db2.gz VYIFFRBBHHDKLP-BWZBUEFSSA-N 1 2 212.318 1.640 20 0 BDADLO O=C(C=Cc1ccco1)N1CCc2[nH]c[nH+]c2C1 ZINC000819972242 587009045 /nfs/dbraw/zinc/00/90/45/587009045.db2.gz AYGQUSLWAFSLJK-ARJAWSKDSA-N 1 2 243.266 1.601 20 0 BDADLO O=C(C=Cc1ccco1)N1CCc2[nH+]c[nH]c2C1 ZINC000819972242 587009049 /nfs/dbraw/zinc/00/90/49/587009049.db2.gz AYGQUSLWAFSLJK-ARJAWSKDSA-N 1 2 243.266 1.601 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000820078515 587019153 /nfs/dbraw/zinc/01/91/53/587019153.db2.gz MXDGGNYIERLMIV-ZJUUUORDSA-N 1 2 237.303 1.213 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000820078510 587019244 /nfs/dbraw/zinc/01/92/44/587019244.db2.gz MXDGGNYIERLMIV-NXEZZACHSA-N 1 2 237.303 1.213 20 0 BDADLO C=C=CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000820199582 587034462 /nfs/dbraw/zinc/03/44/62/587034462.db2.gz XUJYWBDOCFKPOV-UHFFFAOYSA-N 1 2 241.294 1.802 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820348328 587044658 /nfs/dbraw/zinc/04/46/58/587044658.db2.gz QYCLYBDEFFBBDG-MNOVXSKESA-N 1 2 228.336 1.314 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820348328 587044659 /nfs/dbraw/zinc/04/46/59/587044659.db2.gz QYCLYBDEFFBBDG-MNOVXSKESA-N 1 2 228.336 1.314 20 0 BDADLO CCn1ccc(C(=O)NCc2[nH]c[nH+]c2C)c1C ZINC000820510890 587051973 /nfs/dbraw/zinc/05/19/73/587051973.db2.gz SAOYLJMLARDKKP-UHFFFAOYSA-N 1 2 246.314 1.778 20 0 BDADLO Clc1cncc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000820581014 587056063 /nfs/dbraw/zinc/05/60/63/587056063.db2.gz LDCRYWQUBNGRNA-UHFFFAOYSA-N 1 2 235.678 1.416 20 0 BDADLO C=C=CCNc1[nH+]cnc2c1cnn2C ZINC000820585711 587056231 /nfs/dbraw/zinc/05/62/31/587056231.db2.gz AOCAIHGPTBQXIU-UHFFFAOYSA-N 1 2 201.233 1.116 20 0 BDADLO Cc1ncoc1CNc1cc[nH+]c(C)n1 ZINC000820591705 587057191 /nfs/dbraw/zinc/05/71/91/587057191.db2.gz NPWIXXYIFTYIQU-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000820663780 587064044 /nfs/dbraw/zinc/06/40/44/587064044.db2.gz ZKNQWOMIKRDUMV-VIFPVBQESA-N 1 2 245.282 1.424 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2ccnn2C)on1 ZINC000820807398 587073316 /nfs/dbraw/zinc/07/33/16/587073316.db2.gz HTDDQIUKWVWVTK-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2)on1 ZINC000820808045 587073464 /nfs/dbraw/zinc/07/34/64/587073464.db2.gz WHDPOFIIRDFQLU-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO CC[C@H](CO)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820958291 587084518 /nfs/dbraw/zinc/08/45/18/587084518.db2.gz SHAHPGDHCBWGQI-SNVBAGLBSA-N 1 2 247.298 1.406 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CCOC2(C)C)c1 ZINC000821109875 587096474 /nfs/dbraw/zinc/09/64/74/587096474.db2.gz JYRTXMVBCXLBOS-SGUJLRQBSA-N 1 2 249.314 1.117 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000821179502 587100090 /nfs/dbraw/zinc/10/00/90/587100090.db2.gz OHJRNJCXNTWAMC-VUHVRTRXSA-N 1 2 219.288 1.348 20 0 BDADLO C[C@H]1COCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000821305914 587106205 /nfs/dbraw/zinc/10/62/05/587106205.db2.gz DCGPNTTWDMMHOW-GMTAPVOTSA-N 1 2 249.314 1.008 20 0 BDADLO C[C@H]1COCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000821305914 587106206 /nfs/dbraw/zinc/10/62/06/587106206.db2.gz DCGPNTTWDMMHOW-GMTAPVOTSA-N 1 2 249.314 1.008 20 0 BDADLO O=C([O-])CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000821523891 587125404 /nfs/dbraw/zinc/12/54/04/587125404.db2.gz FUPXMFZGMMTIFQ-UHFFFAOYSA-N 1 2 237.303 1.454 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@H]1C ZINC000821564499 587128527 /nfs/dbraw/zinc/12/85/27/587128527.db2.gz IMFFMMSJMSSSCI-NXEZZACHSA-N 1 2 219.288 1.684 20 0 BDADLO CC(C)(NC(=O)CC1(C)COC1)c1[nH]cc[nH+]1 ZINC000821756807 587137092 /nfs/dbraw/zinc/13/70/92/587137092.db2.gz AMDUOIGKCCHGOP-UHFFFAOYSA-N 1 2 237.303 1.188 20 0 BDADLO CCC[C@H](CC)C(=O)NCCc1c[nH+]cn1C ZINC000821833179 587141726 /nfs/dbraw/zinc/14/17/26/587141726.db2.gz PUUPWMCYZIYYIW-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1nnc(C2CCC2)[nH]1 ZINC000821920345 587146831 /nfs/dbraw/zinc/14/68/31/587146831.db2.gz RTJFNDRFXYEJGF-UHFFFAOYSA-N 1 2 249.318 1.107 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1nc(C2CCC2)n[nH]1 ZINC000821920345 587146833 /nfs/dbraw/zinc/14/68/33/587146833.db2.gz RTJFNDRFXYEJGF-UHFFFAOYSA-N 1 2 249.318 1.107 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC000822706349 587182141 /nfs/dbraw/zinc/18/21/41/587182141.db2.gz PMFVVWKQRVXVJN-VIFPVBQESA-N 1 2 234.259 1.086 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CCC=CCC1 ZINC000822998518 587197375 /nfs/dbraw/zinc/19/73/75/587197375.db2.gz ZUMVTROQSJCNFM-UHFFFAOYSA-N 1 2 233.315 1.783 20 0 BDADLO O=C(NOC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823301275 587215043 /nfs/dbraw/zinc/21/50/43/587215043.db2.gz CMIWOJGNGRPFLR-RKDXNWHRSA-N 1 2 221.260 1.114 20 0 BDADLO O=C(NOC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823301275 587215044 /nfs/dbraw/zinc/21/50/44/587215044.db2.gz CMIWOJGNGRPFLR-RKDXNWHRSA-N 1 2 221.260 1.114 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000823432353 587221200 /nfs/dbraw/zinc/22/12/00/587221200.db2.gz GFFDFQAOJDGQOZ-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000823432353 587221202 /nfs/dbraw/zinc/22/12/02/587221202.db2.gz GFFDFQAOJDGQOZ-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823428245 587221281 /nfs/dbraw/zinc/22/12/81/587221281.db2.gz DDVLISHMLAGGEW-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823428245 587221283 /nfs/dbraw/zinc/22/12/83/587221283.db2.gz DDVLISHMLAGGEW-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823565179 587231690 /nfs/dbraw/zinc/23/16/90/587231690.db2.gz NQDVQGGOVYPILJ-RKDXNWHRSA-N 1 2 209.293 1.503 20 0 BDADLO CN(C(=O)/C=C/c1cn(C)c[nH+]1)C(C)(C)C ZINC000823658699 587235310 /nfs/dbraw/zinc/23/53/10/587235310.db2.gz CTIQIOPVSYVYRI-VOTSOKGWSA-N 1 2 221.304 1.690 20 0 BDADLO COc1nccnc1C[NH+]1CCC(F)(F)CC1 ZINC000824321054 587266018 /nfs/dbraw/zinc/26/60/18/587266018.db2.gz OGSHNVDKSIYXLE-UHFFFAOYSA-N 1 2 243.257 1.716 20 0 BDADLO FCC(CF)[NH2+]Cc1ccc(F)nc1 ZINC000824555412 587276044 /nfs/dbraw/zinc/27/60/44/587276044.db2.gz UGMUDWHBYDIRDC-UHFFFAOYSA-N 1 2 204.195 1.618 20 0 BDADLO OCCC[N@H+]1CCC[C@@H](NCc2ccoc2)C1 ZINC000824583505 587278169 /nfs/dbraw/zinc/27/81/69/587278169.db2.gz NQFOPQDADNPOBI-CYBMUJFWSA-N 1 2 238.331 1.216 20 0 BDADLO CC(C)C[C@@H](C(=O)Nn1cccn1)n1cc[nH+]c1 ZINC000824903598 587292503 /nfs/dbraw/zinc/29/25/03/587292503.db2.gz BBYOTKIMTDYQTC-NSHDSACASA-N 1 2 247.302 1.437 20 0 BDADLO Cn1ncc(C[N@@H+]2CCSC[C@H]2C2CC2)n1 ZINC000824914797 587293611 /nfs/dbraw/zinc/29/36/11/587293611.db2.gz ZMKMFKMRRBOQCJ-NSHDSACASA-N 1 2 238.360 1.143 20 0 BDADLO Cn1ncc(C[N@H+]2CCSC[C@H]2C2CC2)n1 ZINC000824914797 587293612 /nfs/dbraw/zinc/29/36/12/587293612.db2.gz ZMKMFKMRRBOQCJ-NSHDSACASA-N 1 2 238.360 1.143 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000825666035 587329253 /nfs/dbraw/zinc/32/92/53/587329253.db2.gz FJRGFZIPSLQXHB-QMMMGPOBSA-N 1 2 235.274 1.615 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCCC1CC1 ZINC000825680322 587331927 /nfs/dbraw/zinc/33/19/27/587331927.db2.gz JKGGKJYHZCDJCK-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C/C(=C\C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741132 587335886 /nfs/dbraw/zinc/33/58/86/587335886.db2.gz IURVOTNCCCIBLY-BCMYLCSRSA-N 1 2 240.347 1.480 20 0 BDADLO C/C(=C\C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741132 587335887 /nfs/dbraw/zinc/33/58/87/587335887.db2.gz IURVOTNCCCIBLY-BCMYLCSRSA-N 1 2 240.347 1.480 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCOC3)nn2c1CCC2 ZINC000826024101 587348875 /nfs/dbraw/zinc/34/88/75/587348875.db2.gz RDLJMCNYAVJUNH-UHFFFAOYSA-N 1 2 233.315 1.052 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2C[C@H]2C)c1-c1nn[nH]n1 ZINC000826312082 587352239 /nfs/dbraw/zinc/35/22/39/587352239.db2.gz VQPKRKVMUMRDAY-HTQZYQBOSA-N 1 2 230.275 1.390 20 0 BDADLO Cc1cc[nH+]c(N[C@@H](C)C2CC2)c1-c1nn[nH]n1 ZINC000826311804 587352413 /nfs/dbraw/zinc/35/24/13/587352413.db2.gz NXMWIXPYQDKLOP-QMMMGPOBSA-N 1 2 244.302 1.781 20 0 BDADLO CCc1csc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000826585171 587355727 /nfs/dbraw/zinc/35/57/27/587355727.db2.gz YLGIYZSAVDZDMK-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826736167 587360673 /nfs/dbraw/zinc/36/06/73/587360673.db2.gz HRXKYANQJKLLMX-SWHYSGLUSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826736167 587360674 /nfs/dbraw/zinc/36/06/74/587360674.db2.gz HRXKYANQJKLLMX-SWHYSGLUSA-N 1 2 244.338 1.945 20 0 BDADLO O=C1N[C@@H]2CN(c3cccc[nH+]3)CC[C@H]2CO1 ZINC000826839769 587364073 /nfs/dbraw/zinc/36/40/73/587364073.db2.gz BZAVQVVWEJSIHD-VHSXEESVSA-N 1 2 233.271 1.016 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000827612169 587392517 /nfs/dbraw/zinc/39/25/17/587392517.db2.gz DAHJPYDQOMOCKM-GMTAPVOTSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000827740893 587400819 /nfs/dbraw/zinc/40/08/19/587400819.db2.gz JGAFOYGSCWBJJZ-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC=CO2)s1 ZINC000827806366 587403651 /nfs/dbraw/zinc/40/36/51/587403651.db2.gz SASYSHROWVRQGA-JTQLQIEISA-N 1 2 239.344 1.971 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC=CO2)s1 ZINC000827806366 587403652 /nfs/dbraw/zinc/40/36/52/587403652.db2.gz SASYSHROWVRQGA-JTQLQIEISA-N 1 2 239.344 1.971 20 0 BDADLO Cn1ncc(C[N@H+](C)C2(CO)CC2)c1Cl ZINC000827903563 587408692 /nfs/dbraw/zinc/40/86/92/587408692.db2.gz KDQZMAOOGKKGSV-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(C[N@@H+](C)C2(CO)CC2)c1Cl ZINC000827903563 587408694 /nfs/dbraw/zinc/40/86/94/587408694.db2.gz KDQZMAOOGKKGSV-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO C[N@@H+](Cc1c(F)ccc(O)c1F)C1(CO)CC1 ZINC000827903629 587408917 /nfs/dbraw/zinc/40/89/17/587408917.db2.gz MIHDBRNXWVEAGG-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO CCC[C@H]1SCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000827924550 587409753 /nfs/dbraw/zinc/40/97/53/587409753.db2.gz VFBOLCBOGYFODO-LLVKDONJSA-N 1 2 239.344 1.654 20 0 BDADLO CCc1cnc(C[N@H+](C)CC[S@@](C)=O)s1 ZINC000827963027 587413605 /nfs/dbraw/zinc/41/36/05/587413605.db2.gz BCAMPFSKDANHHO-OAHLLOKOSA-N 1 2 246.401 1.516 20 0 BDADLO CCc1cnc(C[N@@H+](C)CC[S@@](C)=O)s1 ZINC000827963027 587413606 /nfs/dbraw/zinc/41/36/06/587413606.db2.gz BCAMPFSKDANHHO-OAHLLOKOSA-N 1 2 246.401 1.516 20 0 BDADLO CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)COC1 ZINC000828134820 587421167 /nfs/dbraw/zinc/42/11/67/587421167.db2.gz FYKKOMZXJMQOAY-UHFFFAOYSA-N 1 2 231.255 1.082 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC[C@H](C)O)C(C)(C)C ZINC000828379633 587438848 /nfs/dbraw/zinc/43/88/48/587438848.db2.gz NANQFDXEXKNHKL-WDEREUQCSA-N 1 2 245.363 1.715 20 0 BDADLO CCc1nocc1C[N@H+](C)CC[S@](C)=O ZINC000828581067 587451902 /nfs/dbraw/zinc/45/19/02/587451902.db2.gz FCIFEHFIFJQMKG-HNNXBMFYSA-N 1 2 230.333 1.047 20 0 BDADLO CCc1nocc1C[N@@H+](C)CC[S@](C)=O ZINC000828581067 587451903 /nfs/dbraw/zinc/45/19/03/587451903.db2.gz FCIFEHFIFJQMKG-HNNXBMFYSA-N 1 2 230.333 1.047 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000828607712 587453359 /nfs/dbraw/zinc/45/33/59/587453359.db2.gz WWVFDZNFTMPNEM-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000828834334 587465713 /nfs/dbraw/zinc/46/57/13/587465713.db2.gz PVIALOUOLOMMII-DCAQKATOSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)S1 ZINC000828956379 587475618 /nfs/dbraw/zinc/47/56/18/587475618.db2.gz WCSQNDUVJNSPJZ-DTORHVGOSA-N 1 2 239.344 1.305 20 0 BDADLO CC(C)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829099570 587483012 /nfs/dbraw/zinc/48/30/12/587483012.db2.gz NBQZHZBDDCIZKL-UHFFFAOYSA-N 1 2 233.315 1.830 20 0 BDADLO O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829111260 587483300 /nfs/dbraw/zinc/48/33/00/587483300.db2.gz OFKDFHQVVPFUAO-UHFFFAOYSA-N 1 2 231.299 1.584 20 0 BDADLO O=C(C(F)F)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829112070 587483320 /nfs/dbraw/zinc/48/33/20/587483320.db2.gz YBKHVADQQLPCAG-UHFFFAOYSA-N 1 2 241.241 1.439 20 0 BDADLO COCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829112002 587483553 /nfs/dbraw/zinc/48/35/53/587483553.db2.gz YLNPQCPMPCSNBE-UHFFFAOYSA-N 1 2 227.695 1.135 20 0 BDADLO COCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829112002 587483555 /nfs/dbraw/zinc/48/35/55/587483555.db2.gz YLNPQCPMPCSNBE-UHFFFAOYSA-N 1 2 227.695 1.135 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC2(CCCC2)C1 ZINC000829167797 587486022 /nfs/dbraw/zinc/48/60/22/587486022.db2.gz NJZWBFPUOHDWCA-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO FCC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000829261220 587490378 /nfs/dbraw/zinc/49/03/78/587490378.db2.gz JSFJJXQLDGCIIS-SECBINFHSA-N 1 2 205.298 1.164 20 0 BDADLO FCC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829261220 587490379 /nfs/dbraw/zinc/49/03/79/587490379.db2.gz JSFJJXQLDGCIIS-SECBINFHSA-N 1 2 205.298 1.164 20 0 BDADLO C[C@@H](C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)C1CC1 ZINC000829441998 587497577 /nfs/dbraw/zinc/49/75/77/587497577.db2.gz PZLXTYICJRACRV-SECBINFHSA-N 1 2 248.330 1.313 20 0 BDADLO C[C@@H](C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)C1CC1 ZINC000829441998 587497579 /nfs/dbraw/zinc/49/75/79/587497579.db2.gz PZLXTYICJRACRV-SECBINFHSA-N 1 2 248.330 1.313 20 0 BDADLO CC(C)=CC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829471984 587499440 /nfs/dbraw/zinc/49/94/40/587499440.db2.gz JYXRQWZAEZUFJE-UHFFFAOYSA-N 1 2 234.303 1.233 20 0 BDADLO CC(C)=CC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829471984 587499441 /nfs/dbraw/zinc/49/94/41/587499441.db2.gz JYXRQWZAEZUFJE-UHFFFAOYSA-N 1 2 234.303 1.233 20 0 BDADLO COC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000829483566 587500395 /nfs/dbraw/zinc/50/03/95/587500395.db2.gz BLTMZVKNQWCCLD-QMMMGPOBSA-N 1 2 233.271 1.328 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000829505248 587501013 /nfs/dbraw/zinc/50/10/13/587501013.db2.gz IMHWUXAODHCOIQ-SECBINFHSA-N 1 2 248.298 1.652 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000829505248 587501014 /nfs/dbraw/zinc/50/10/14/587501014.db2.gz IMHWUXAODHCOIQ-SECBINFHSA-N 1 2 248.298 1.652 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(CC(F)(F)F)C1 ZINC000830132302 587538436 /nfs/dbraw/zinc/53/84/36/587538436.db2.gz RFMQSSBDYAKNHI-UHFFFAOYSA-N 1 2 247.220 1.363 20 0 BDADLO CSC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830504863 587555191 /nfs/dbraw/zinc/55/51/91/587555191.db2.gz FQFKKKUXJLKBQY-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO OC[C@]1(F)C[N@H+](CCF)C[C@H]1c1ccccc1 ZINC000830738467 587565952 /nfs/dbraw/zinc/56/59/52/587565952.db2.gz GAQCVKGDLAEQHH-QWHCGFSZSA-N 1 2 241.281 1.756 20 0 BDADLO OC[C@]1(F)C[N@@H+](CCF)C[C@H]1c1ccccc1 ZINC000830738467 587565953 /nfs/dbraw/zinc/56/59/53/587565953.db2.gz GAQCVKGDLAEQHH-QWHCGFSZSA-N 1 2 241.281 1.756 20 0 BDADLO CCN(C)C(=O)[C@@H]([NH2+]Cc1c[nH]cn1)C(C)C ZINC000830868921 587574472 /nfs/dbraw/zinc/57/44/72/587574472.db2.gz KXZHCTHSBYRBMQ-NSHDSACASA-N 1 2 238.335 1.002 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](O)C2CC2)c(N(C)C)[nH+]1 ZINC000830890939 587575319 /nfs/dbraw/zinc/57/53/19/587575319.db2.gz SZOAAQKUDFLBGK-NSHDSACASA-N 1 2 249.314 1.165 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccc2nn[nH]c2c1)C1CC1 ZINC000831068597 587584798 /nfs/dbraw/zinc/58/47/98/587584798.db2.gz ZCPPDMGVAAIVSI-SECBINFHSA-N 1 2 245.286 1.024 20 0 BDADLO O=C(OC1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000831076084 587585311 /nfs/dbraw/zinc/58/53/11/587585311.db2.gz XSQUZIDTLCKHBN-UHFFFAOYSA-N 1 2 221.260 1.429 20 0 BDADLO O=C(NN1CCCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000831256460 587593929 /nfs/dbraw/zinc/59/39/29/587593929.db2.gz WLLRUCCVAOYPEZ-SNVBAGLBSA-N 1 2 248.330 1.032 20 0 BDADLO O=C(NN1CCCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000831256460 587593930 /nfs/dbraw/zinc/59/39/30/587593930.db2.gz WLLRUCCVAOYPEZ-SNVBAGLBSA-N 1 2 248.330 1.032 20 0 BDADLO CC[C@@H](C[C@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC000831302620 587596762 /nfs/dbraw/zinc/59/67/62/587596762.db2.gz IHHBRSIKOGHWEK-UWVGGRQHSA-N 1 2 239.319 1.008 20 0 BDADLO CC[C@@H](C[C@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC000831302620 587596764 /nfs/dbraw/zinc/59/67/64/587596764.db2.gz IHHBRSIKOGHWEK-UWVGGRQHSA-N 1 2 239.319 1.008 20 0 BDADLO O=C(NCCC1CC=CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000831420163 587605048 /nfs/dbraw/zinc/60/50/48/587605048.db2.gz JTRRPOXJTIDAHA-VXGBXAGGSA-N 1 2 245.326 1.986 20 0 BDADLO O=C(NCCC1CC=CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000831420163 587605050 /nfs/dbraw/zinc/60/50/50/587605050.db2.gz JTRRPOXJTIDAHA-VXGBXAGGSA-N 1 2 245.326 1.986 20 0 BDADLO CCCONC(=O)Nc1cc(C)[nH+]cc1C ZINC000831594817 587622097 /nfs/dbraw/zinc/62/20/97/587622097.db2.gz XYYXCLANFXMLJH-UHFFFAOYSA-N 1 2 223.276 1.583 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC12CCC2 ZINC000831612380 587623081 /nfs/dbraw/zinc/62/30/81/587623081.db2.gz MKEMQCNCJJDLKC-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831607473 587623473 /nfs/dbraw/zinc/62/34/73/587623473.db2.gz PVJWZJHJIIOJDB-QMMMGPOBSA-N 1 2 231.259 1.110 20 0 BDADLO Cc1ccncc1[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831613642 587624330 /nfs/dbraw/zinc/62/43/30/587624330.db2.gz SQPLOLCSHVDIPR-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1[nH+]c2cc(OS(C)(=O)=O)ccc2n1C ZINC000831642722 587625606 /nfs/dbraw/zinc/62/56/06/587625606.db2.gz KMVGFXSSYKULFT-UHFFFAOYSA-N 1 2 240.284 1.220 20 0 BDADLO CN(C[C@@H]1CC=CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000832043368 587643692 /nfs/dbraw/zinc/64/36/92/587643692.db2.gz FRGRXZRXIXBTOJ-LLVKDONJSA-N 1 2 233.315 1.767 20 0 BDADLO C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCO1 ZINC000832445131 587660499 /nfs/dbraw/zinc/66/04/99/587660499.db2.gz PAENDEKQMMNLJG-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@@]1(CNC(=O)Cc2c[nH+]c[nH]2)CCCCO1 ZINC000832445131 587660500 /nfs/dbraw/zinc/66/05/00/587660500.db2.gz PAENDEKQMMNLJG-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832655606 587674134 /nfs/dbraw/zinc/67/41/34/587674134.db2.gz RNAJOFCYQRFORY-IUCAKERBSA-N 1 2 207.277 1.257 20 0 BDADLO CC1(C)CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832671420 587675995 /nfs/dbraw/zinc/67/59/95/587675995.db2.gz IUJJDQQJFKCLKK-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833277167 587704031 /nfs/dbraw/zinc/70/40/31/587704031.db2.gz ATWOIXALZKSHDG-DCAQKATOSA-N 1 2 233.315 1.736 20 0 BDADLO CCc1cc(C(=O)N[C@H]2CCn3cc[nH+]c32)[nH]n1 ZINC000833300208 587705350 /nfs/dbraw/zinc/70/53/50/587705350.db2.gz NYIARTVGFBIUTF-VIFPVBQESA-N 1 2 245.286 1.043 20 0 BDADLO C/C(=C/C[N@H+](C)CCCn1cc[nH+]c1)C(=O)[O-] ZINC000833383817 587712622 /nfs/dbraw/zinc/71/26/22/587712622.db2.gz QEWDXDMPUZWVIY-WCIBSUBMSA-N 1 2 237.303 1.236 20 0 BDADLO C/C(=C/C[N@@H+](C)CCCn1cc[nH+]c1)C(=O)[O-] ZINC000833383817 587712624 /nfs/dbraw/zinc/71/26/24/587712624.db2.gz QEWDXDMPUZWVIY-WCIBSUBMSA-N 1 2 237.303 1.236 20 0 BDADLO CC(C)[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000834664862 587763359 /nfs/dbraw/zinc/76/33/59/587763359.db2.gz WKTRQOHFQCGRJS-GFCCVEGCSA-N 1 2 220.272 1.732 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000834840343 587768411 /nfs/dbraw/zinc/76/84/11/587768411.db2.gz LXSUEMZVUBOKEP-LLVKDONJSA-N 1 2 247.298 1.680 20 0 BDADLO O=C(CSC1CC1)OCCn1cc[nH+]c1 ZINC000835350607 587798074 /nfs/dbraw/zinc/79/80/74/587798074.db2.gz RBJQGOXOIPNASS-UHFFFAOYSA-N 1 2 226.301 1.322 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccsn1 ZINC000835370066 587798669 /nfs/dbraw/zinc/79/86/69/587798669.db2.gz CMZBBPZOVDGJAZ-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccsn1 ZINC000835370066 587798670 /nfs/dbraw/zinc/79/86/70/587798670.db2.gz CMZBBPZOVDGJAZ-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836457620 587833635 /nfs/dbraw/zinc/83/36/35/587833635.db2.gz XHACKQNUWVJDNQ-VHSXEESVSA-N 1 2 248.330 1.816 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@@H]1C ZINC000836515945 587834564 /nfs/dbraw/zinc/83/45/64/587834564.db2.gz GMYZQMPUMILUIW-GMTAPVOTSA-N 1 2 248.330 1.768 20 0 BDADLO COC/C=C\C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000867179032 587834750 /nfs/dbraw/zinc/83/47/50/587834750.db2.gz ASDMECUFQUPSJM-ATPLWMGHSA-N 1 2 235.287 1.276 20 0 BDADLO O=C(NOC1CCC1)Nc1ccn2cc[nH+]c2c1 ZINC000836580854 587835402 /nfs/dbraw/zinc/83/54/02/587835402.db2.gz AGBYZVFDNZPVCA-UHFFFAOYSA-N 1 2 246.270 1.940 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NOC(C)C ZINC000836628269 587835591 /nfs/dbraw/zinc/83/55/91/587835591.db2.gz OLFXBUSUNSREIH-SECBINFHSA-N 1 2 240.307 1.603 20 0 BDADLO Cc1nonc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104687 587854019 /nfs/dbraw/zinc/85/40/19/587854019.db2.gz JKKRCVSHWXECSL-UHFFFAOYSA-N 1 2 246.270 1.320 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000837676337 587890289 /nfs/dbraw/zinc/89/02/89/587890289.db2.gz MQSMLRNCUFMERV-GXSJLCMTSA-N 1 2 233.315 1.880 20 0 BDADLO CCC[C@H](OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000837798118 587896047 /nfs/dbraw/zinc/89/60/47/587896047.db2.gz XNBUCWBTJUPLQB-JTQLQIEISA-N 1 2 238.287 1.522 20 0 BDADLO CC[C@@H](O)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000837810047 587897371 /nfs/dbraw/zinc/89/73/71/587897371.db2.gz JAVTYVISYFYPKN-GFCCVEGCSA-N 1 2 237.299 1.903 20 0 BDADLO CCO/C=C\C(=O)OCCCn1cc[nH+]c1 ZINC000840589867 587913226 /nfs/dbraw/zinc/91/32/26/587913226.db2.gz QNZPXXIEGYOEKO-WTKPLQERSA-N 1 2 224.260 1.367 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)c1ccccc1 ZINC000842013976 587988831 /nfs/dbraw/zinc/98/88/31/587988831.db2.gz YDOFLLPDAPZUKX-SECBINFHSA-N 1 2 208.261 1.304 20 0 BDADLO Cc1nc(CC(N)=[NH+]OCC[C@@H](C)O)cs1 ZINC000842023060 587989606 /nfs/dbraw/zinc/98/96/06/587989606.db2.gz DQEBYXLNYXKFAA-SSDOTTSWSA-N 1 2 243.332 1.263 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC[C@H](C)O ZINC000842033627 587991439 /nfs/dbraw/zinc/99/14/39/587991439.db2.gz SMILCMAVDYCNQV-VHSXEESVSA-N 1 2 232.324 1.317 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H]1CCC(F)(F)C1 ZINC000842035877 587991857 /nfs/dbraw/zinc/99/18/57/587991857.db2.gz FVDMDCLOVCQHCO-JGVFFNPUSA-N 1 2 236.262 1.955 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCOCC1CCCC1 ZINC000842037312 587992223 /nfs/dbraw/zinc/99/22/23/587992223.db2.gz XESZMHBSQIYTMR-JTQLQIEISA-N 1 2 244.335 1.727 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC1(OC)CCC1 ZINC000842037263 587992227 /nfs/dbraw/zinc/99/22/27/587992227.db2.gz VCWDQXBKIVMKFL-QMMMGPOBSA-N 1 2 216.281 1.089 20 0 BDADLO NC(=[NH+]OCCOCC1CCC1)[C@H]1CCCO1 ZINC000842046268 587992341 /nfs/dbraw/zinc/99/23/41/587992341.db2.gz AXKMDFLCDFHGQR-LLVKDONJSA-N 1 2 242.319 1.481 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)OCCn1cc[nH+]c1 ZINC000842116278 588001786 /nfs/dbraw/zinc/00/17/86/588001786.db2.gz OBISQXFVHPSKAJ-NSHDSACASA-N 1 2 240.303 1.487 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCC[C@@H]1CCOC1 ZINC000842649430 588049075 /nfs/dbraw/zinc/04/90/75/588049075.db2.gz LTARJVOFEJZOMJ-NXEZZACHSA-N 1 2 230.308 1.336 20 0 BDADLO CCSCSC[C@H]1C[N@H+](C)CCO1 ZINC000842653522 588049582 /nfs/dbraw/zinc/04/95/82/588049582.db2.gz PEASIERHKIBIDG-SECBINFHSA-N 1 2 221.391 1.761 20 0 BDADLO CCSCSC[C@H]1C[N@@H+](C)CCO1 ZINC000842653522 588049583 /nfs/dbraw/zinc/04/95/83/588049583.db2.gz PEASIERHKIBIDG-SECBINFHSA-N 1 2 221.391 1.761 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCCO1 ZINC000867317571 588078554 /nfs/dbraw/zinc/07/85/54/588078554.db2.gz QGCMTVHRCNHAMY-UHFFFAOYSA-N 1 2 249.245 1.180 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(N)nc1 ZINC000843064913 588078820 /nfs/dbraw/zinc/07/88/20/588078820.db2.gz ZXBYCWMUUOGVSF-VIFPVBQESA-N 1 2 237.303 1.047 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N)nc1 ZINC000843064913 588078822 /nfs/dbraw/zinc/07/88/22/588078822.db2.gz ZXBYCWMUUOGVSF-VIFPVBQESA-N 1 2 237.303 1.047 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CC[C@H](CC)O2)n1 ZINC000843144489 588085878 /nfs/dbraw/zinc/08/58/78/588085878.db2.gz DOXFJEMKAXXJDD-IUCAKERBSA-N 1 2 225.292 1.809 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2O[C@@H](C)C[C@@H]2C)n1 ZINC000843144374 588086394 /nfs/dbraw/zinc/08/63/94/588086394.db2.gz WYABKXHTNTVCRD-OYNCUSHFSA-N 1 2 225.292 1.665 20 0 BDADLO COCC1(CC(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000843600769 588128827 /nfs/dbraw/zinc/12/88/27/588128827.db2.gz IXSOHLKDISXRKX-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cccnc1F ZINC000843690224 588132921 /nfs/dbraw/zinc/13/29/21/588132921.db2.gz QONFXIYHCZCHEV-UHFFFAOYSA-N 1 2 248.261 1.836 20 0 BDADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(F)CC1 ZINC000843780310 588139647 /nfs/dbraw/zinc/13/96/47/588139647.db2.gz KKEBLIYAHVGGKA-UHFFFAOYSA-N 1 2 237.278 1.618 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844134915 588169533 /nfs/dbraw/zinc/16/95/33/588169533.db2.gz LDGIKMYARUGSDH-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO O=C(NOCCC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844145433 588170693 /nfs/dbraw/zinc/17/06/93/588170693.db2.gz WWDGAZBCWCAKPW-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO COC/C(C)=C\C(=O)Nc1c[nH+]ccc1OC ZINC000844356055 588187579 /nfs/dbraw/zinc/18/75/79/588187579.db2.gz BJYIZVOIHJGIGN-TWGQIWQCSA-N 1 2 236.271 1.621 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnoc2C)[C@@H](C)CO1 ZINC000844390315 588189152 /nfs/dbraw/zinc/18/91/52/588189152.db2.gz GJJYUVBHNJYJPT-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnoc2C)[C@@H](C)CO1 ZINC000844390315 588189154 /nfs/dbraw/zinc/18/91/54/588189154.db2.gz GJJYUVBHNJYJPT-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450961 588195365 /nfs/dbraw/zinc/19/53/65/588195365.db2.gz HZHMSPCLOXFXJN-APQOSEDMSA-N 1 2 229.230 1.636 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450961 588195366 /nfs/dbraw/zinc/19/53/66/588195366.db2.gz HZHMSPCLOXFXJN-APQOSEDMSA-N 1 2 229.230 1.636 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(F)F)CC1(C)C ZINC000844552385 588201983 /nfs/dbraw/zinc/20/19/83/588201983.db2.gz MRSAXZIVILEIAK-ZETCQYMHSA-N 1 2 243.257 1.595 20 0 BDADLO CCCC[N@H+](Cn1nc(C)n(C)c1=O)C1CC1 ZINC000844685752 588213561 /nfs/dbraw/zinc/21/35/61/588213561.db2.gz GYHOIIYRWQBDBE-UHFFFAOYSA-N 1 2 238.335 1.112 20 0 BDADLO CCCC[N@@H+](Cn1nc(C)n(C)c1=O)C1CC1 ZINC000844685752 588213564 /nfs/dbraw/zinc/21/35/64/588213564.db2.gz GYHOIIYRWQBDBE-UHFFFAOYSA-N 1 2 238.335 1.112 20 0 BDADLO COC(=O)CCCO[NH+]=C(N)c1ccccc1 ZINC000844762650 588216208 /nfs/dbraw/zinc/21/62/08/588216208.db2.gz YFPJEFFYEMYJPG-UHFFFAOYSA-N 1 2 236.271 1.486 20 0 BDADLO COCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845274718 588225078 /nfs/dbraw/zinc/22/50/78/588225078.db2.gz AENUEQDTKYDTMU-SECBINFHSA-N 1 2 212.249 1.024 20 0 BDADLO C[C@@H](CC(=O)OC[C@H]1CCCO1)n1cc[nH+]c1 ZINC000845278462 588225149 /nfs/dbraw/zinc/22/51/49/588225149.db2.gz GGPNWVYOHGYMDE-WDEREUQCSA-N 1 2 238.287 1.556 20 0 BDADLO CC[C@H](COC(=O)C[C@H](C)n1cc[nH+]c1)OC ZINC000845285795 588225860 /nfs/dbraw/zinc/22/58/60/588225860.db2.gz KKKKYASHBXCDSY-WDEREUQCSA-N 1 2 240.303 1.802 20 0 BDADLO C[C@H](CC(=O)OC1CCOCC1)n1cc[nH+]c1 ZINC000845498764 588231014 /nfs/dbraw/zinc/23/10/14/588231014.db2.gz BPCZINFUQVZMDE-SNVBAGLBSA-N 1 2 238.287 1.556 20 0 BDADLO C[C@@H](CC(=O)O[C@H]1CCO[C@H]1C)n1cc[nH+]c1 ZINC000845521548 588231921 /nfs/dbraw/zinc/23/19/21/588231921.db2.gz ZJLVKXOXMMPFLP-DCAQKATOSA-N 1 2 238.287 1.555 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)OC1CC1 ZINC000845524765 588232137 /nfs/dbraw/zinc/23/21/37/588232137.db2.gz BZBHVCCJNPTFQB-UHFFFAOYSA-N 1 2 220.272 1.468 20 0 BDADLO C[C@@H](CC(=O)NOCC(F)F)n1cc[nH+]c1 ZINC000845945068 588251371 /nfs/dbraw/zinc/25/13/71/588251371.db2.gz WVWGCOOIZNAMPM-ZETCQYMHSA-N 1 2 233.218 1.147 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](COC)CC(C)(C)C ZINC000845962734 588252051 /nfs/dbraw/zinc/25/20/51/588252051.db2.gz APRLVRSTDCYRDP-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000846087930 588256052 /nfs/dbraw/zinc/25/60/52/588256052.db2.gz VOEGTCRRUXHKFG-NEPJUHHUSA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000846086297 588256075 /nfs/dbraw/zinc/25/60/75/588256075.db2.gz NSHVSWGISYALTE-VHSXEESVSA-N 1 2 228.336 1.468 20 0 BDADLO CCCC[C@H](C)[NH2+]CC(=O)NOCC ZINC000846090964 588256371 /nfs/dbraw/zinc/25/63/71/588256371.db2.gz GVBAVVPALJHRQF-VIFPVBQESA-N 1 2 202.298 1.222 20 0 BDADLO CCONC(=O)C[NH2+]C/C(C)=C/c1ccccc1 ZINC000846088817 588256394 /nfs/dbraw/zinc/25/63/94/588256394.db2.gz LRUPYKPNXYVPPH-FMIVXFBMSA-N 1 2 248.326 1.747 20 0 BDADLO OC[C@@H](CCF)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000846208667 588259923 /nfs/dbraw/zinc/25/99/23/588259923.db2.gz KNLLDNARDLSANA-SCZZXKLOSA-N 1 2 227.283 1.097 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C(\C)COC ZINC000846238415 588262325 /nfs/dbraw/zinc/26/23/25/588262325.db2.gz NNGULXXCBIYLAM-JXMROGBWSA-N 1 2 237.303 1.112 20 0 BDADLO C/C=C(\C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846245319 588262402 /nfs/dbraw/zinc/26/24/02/588262402.db2.gz VBAWOOAKBZVRSW-VMPITWQZSA-N 1 2 207.277 1.727 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846768623 588286937 /nfs/dbraw/zinc/28/69/37/588286937.db2.gz AQENXIIGMQOKFV-UHFFFAOYSA-N 1 2 245.685 1.052 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846768623 588286938 /nfs/dbraw/zinc/28/69/38/588286938.db2.gz AQENXIIGMQOKFV-UHFFFAOYSA-N 1 2 245.685 1.052 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1c(C)nsc1C ZINC000846782602 588288001 /nfs/dbraw/zinc/28/80/01/588288001.db2.gz VDKWGXDQROONEN-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1c(C)nsc1C ZINC000846782602 588288002 /nfs/dbraw/zinc/28/80/02/588288002.db2.gz VDKWGXDQROONEN-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846805340 588288237 /nfs/dbraw/zinc/28/82/37/588288237.db2.gz BOYGZCLUHUBWFS-WDEREUQCSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846805340 588288238 /nfs/dbraw/zinc/28/82/38/588288238.db2.gz BOYGZCLUHUBWFS-WDEREUQCSA-N 1 2 241.360 1.664 20 0 BDADLO CCN1C[C@@H](C[NH+]2Cc3ccccc3C2)OC1=O ZINC000846803360 588289171 /nfs/dbraw/zinc/28/91/71/588289171.db2.gz MVCGVYVUOLBRIH-CYBMUJFWSA-N 1 2 246.310 1.843 20 0 BDADLO CCN1C[C@H](C[NH+]2Cc3ccccc3C2)OC1=O ZINC000846803363 588289249 /nfs/dbraw/zinc/28/92/49/588289249.db2.gz MVCGVYVUOLBRIH-ZDUSSCGKSA-N 1 2 246.310 1.843 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1ccc2nonc2c1 ZINC000846806842 588289567 /nfs/dbraw/zinc/28/95/67/588289567.db2.gz OWJCYQTUZKHOQB-UHFFFAOYSA-N 1 2 244.254 1.843 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1ccc2nonc2c1 ZINC000846806842 588289568 /nfs/dbraw/zinc/28/95/68/588289568.db2.gz OWJCYQTUZKHOQB-UHFFFAOYSA-N 1 2 244.254 1.843 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1cnsn1 ZINC000846808169 588290126 /nfs/dbraw/zinc/29/01/26/588290126.db2.gz WQPGPGUPMNYWRG-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1cnsn1 ZINC000846808169 588290127 /nfs/dbraw/zinc/29/01/27/588290127.db2.gz WQPGPGUPMNYWRG-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000846815416 588290825 /nfs/dbraw/zinc/29/08/25/588290825.db2.gz KRAFABMHXBSHDP-JTQLQIEISA-N 1 2 225.317 1.151 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000846815416 588290826 /nfs/dbraw/zinc/29/08/26/588290826.db2.gz KRAFABMHXBSHDP-JTQLQIEISA-N 1 2 225.317 1.151 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1cnsn1 ZINC000846814604 588291026 /nfs/dbraw/zinc/29/10/26/588291026.db2.gz DNWZYNICTMBALY-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1cnsn1 ZINC000846814604 588291027 /nfs/dbraw/zinc/29/10/27/588291027.db2.gz DNWZYNICTMBALY-UHFFFAOYSA-N 1 2 215.322 1.395 20 0 BDADLO COC1(C)CC[NH+](Cc2cnsn2)CC1 ZINC000846846496 588293049 /nfs/dbraw/zinc/29/30/49/588293049.db2.gz GXEIIHYKYKYIRI-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CCCC[N@H+](CCCO)Cc1cnsn1 ZINC000846846143 588293219 /nfs/dbraw/zinc/29/32/19/588293219.db2.gz DABLPDBTDLPUGT-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO CCCC[N@@H+](CCCO)Cc1cnsn1 ZINC000846846143 588293220 /nfs/dbraw/zinc/29/32/20/588293220.db2.gz DABLPDBTDLPUGT-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnsn2)CCS1 ZINC000846872226 588294986 /nfs/dbraw/zinc/29/49/86/588294986.db2.gz KXONWYTWDNFEGX-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)CCS1 ZINC000846872226 588294987 /nfs/dbraw/zinc/29/49/87/588294987.db2.gz KXONWYTWDNFEGX-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846889930 588295630 /nfs/dbraw/zinc/29/56/30/588295630.db2.gz RENSGXZIKQJOFD-SNVBAGLBSA-N 1 2 246.339 1.923 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846889930 588295631 /nfs/dbraw/zinc/29/56/31/588295631.db2.gz RENSGXZIKQJOFD-SNVBAGLBSA-N 1 2 246.339 1.923 20 0 BDADLO BrC1(C[N@@H+]2CCOCC23CC3)CC1 ZINC000846892605 588295811 /nfs/dbraw/zinc/29/58/11/588295811.db2.gz AGQPWCBFILRLGJ-UHFFFAOYSA-N 1 2 246.148 1.779 20 0 BDADLO BrC1(C[N@H+]2CCOCC23CC3)CC1 ZINC000846892605 588295812 /nfs/dbraw/zinc/29/58/12/588295812.db2.gz AGQPWCBFILRLGJ-UHFFFAOYSA-N 1 2 246.148 1.779 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000846896275 588296161 /nfs/dbraw/zinc/29/61/61/588296161.db2.gz VZMJPVYTRPBGMR-MNOVXSKESA-N 1 2 239.344 1.682 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000846896275 588296162 /nfs/dbraw/zinc/29/61/62/588296162.db2.gz VZMJPVYTRPBGMR-MNOVXSKESA-N 1 2 239.344 1.682 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnsn2)CC1(C)C ZINC000846954659 588298252 /nfs/dbraw/zinc/29/82/52/588298252.db2.gz BMACIUARIJMIFZ-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnsn2)CC1(C)C ZINC000846954659 588298253 /nfs/dbraw/zinc/29/82/53/588298253.db2.gz BMACIUARIJMIFZ-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO CC(=O)C1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000846954182 588298255 /nfs/dbraw/zinc/29/82/55/588298255.db2.gz UFQLXNMCADMAFC-MRVPVSSYSA-N 1 2 237.303 1.740 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000846958677 588298603 /nfs/dbraw/zinc/29/86/03/588298603.db2.gz JDZFCBHOEJUPMC-HBNTYKKESA-N 1 2 243.347 1.467 20 0 BDADLO CCOC(C[N@H+](CC)Cc1ccon1)OCC ZINC000846970843 588299218 /nfs/dbraw/zinc/29/92/18/588299218.db2.gz LOTCLFOHSSJEAT-UHFFFAOYSA-N 1 2 242.319 1.896 20 0 BDADLO CCOC(C[N@@H+](CC)Cc1ccon1)OCC ZINC000846970843 588299219 /nfs/dbraw/zinc/29/92/19/588299219.db2.gz LOTCLFOHSSJEAT-UHFFFAOYSA-N 1 2 242.319 1.896 20 0 BDADLO C[N@H+](Cc1cnsn1)[C@@H](CO)CC(C)(C)C ZINC000846974408 588299370 /nfs/dbraw/zinc/29/93/70/588299370.db2.gz NTXFDHPFIHQWAT-SNVBAGLBSA-N 1 2 243.376 1.767 20 0 BDADLO C[N@@H+](Cc1cnsn1)[C@@H](CO)CC(C)(C)C ZINC000846974408 588299371 /nfs/dbraw/zinc/29/93/71/588299371.db2.gz NTXFDHPFIHQWAT-SNVBAGLBSA-N 1 2 243.376 1.767 20 0 BDADLO CON1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000846984964 588300268 /nfs/dbraw/zinc/30/02/68/588300268.db2.gz ZFNOQMKYEIDIRX-UHFFFAOYSA-N 1 2 224.279 1.505 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000846983878 588300427 /nfs/dbraw/zinc/30/04/27/588300427.db2.gz OGODDJGGFRJNKZ-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000846983878 588300428 /nfs/dbraw/zinc/30/04/28/588300428.db2.gz OGODDJGGFRJNKZ-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846992622 588300686 /nfs/dbraw/zinc/30/06/86/588300686.db2.gz PLVWWRNEUGDVPR-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846992622 588300687 /nfs/dbraw/zinc/30/06/87/588300687.db2.gz PLVWWRNEUGDVPR-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@H](C)O ZINC000847060554 588305431 /nfs/dbraw/zinc/30/54/31/588305431.db2.gz KLHJAYFDVLNXHE-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO CCO/C=C\C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000847433246 588313222 /nfs/dbraw/zinc/31/32/22/588313222.db2.gz XZACFHUBZBKKMD-YVMONPNESA-N 1 2 248.282 1.221 20 0 BDADLO CCO/C=C/C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000847437339 588313314 /nfs/dbraw/zinc/31/33/14/588313314.db2.gz LDJWDIPDBZJSNB-BIPYJSMBSA-N 1 2 249.314 1.597 20 0 BDADLO C=C=CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000848112769 588355596 /nfs/dbraw/zinc/35/55/96/588355596.db2.gz SOMUVGVNOZZGNO-SNVBAGLBSA-N 1 2 205.261 1.292 20 0 BDADLO C=C=CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000848112597 588356655 /nfs/dbraw/zinc/35/66/55/588356655.db2.gz MLPPTQHKEVVHIS-UHFFFAOYSA-N 1 2 231.299 1.219 20 0 BDADLO CC[C@H](C)CONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848120827 588358944 /nfs/dbraw/zinc/35/89/44/588358944.db2.gz PQIJVBDUATVAED-UWVGGRQHSA-N 1 2 239.319 1.682 20 0 BDADLO CC[C@H](C)CONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848120827 588358945 /nfs/dbraw/zinc/35/89/45/588358945.db2.gz PQIJVBDUATVAED-UWVGGRQHSA-N 1 2 239.319 1.682 20 0 BDADLO CC[C@@H](C)CONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848120829 588358962 /nfs/dbraw/zinc/35/89/62/588358962.db2.gz PQIJVBDUATVAED-ZJUUUORDSA-N 1 2 239.319 1.682 20 0 BDADLO CC[C@@H](C)CONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848120829 588358963 /nfs/dbraw/zinc/35/89/63/588358963.db2.gz PQIJVBDUATVAED-ZJUUUORDSA-N 1 2 239.319 1.682 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780041 588413614 /nfs/dbraw/zinc/41/36/14/588413614.db2.gz GRIPOBXMBANJOV-SNVBAGLBSA-N 1 2 246.266 1.777 20 0 BDADLO CCOCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782066 588413802 /nfs/dbraw/zinc/41/38/02/588413802.db2.gz QHLCBWJHSMAEDR-UHFFFAOYSA-N 1 2 248.282 1.836 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000848885911 588417070 /nfs/dbraw/zinc/41/70/70/588417070.db2.gz CKTHZDVZYNMIBL-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000848885911 588417071 /nfs/dbraw/zinc/41/70/71/588417071.db2.gz CKTHZDVZYNMIBL-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnc(Cl)n1C ZINC000848914068 588420087 /nfs/dbraw/zinc/42/00/87/588420087.db2.gz HVUXELDENDDVNP-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnc(Cl)n1C ZINC000848914068 588420088 /nfs/dbraw/zinc/42/00/88/588420088.db2.gz HVUXELDENDDVNP-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(CC2CC2)no1 ZINC000849228340 588463717 /nfs/dbraw/zinc/46/37/17/588463717.db2.gz ITFDUJRFRKADSM-VIFPVBQESA-N 1 2 225.292 1.447 20 0 BDADLO CC(C)Cc1noc([C@@H]([NH3+])COC(C)C)n1 ZINC000849228774 588464048 /nfs/dbraw/zinc/46/40/48/588464048.db2.gz PQCQBMLMMVGENM-VIFPVBQESA-N 1 2 227.308 1.693 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=S)NCC1CC1 ZINC000849255425 588465384 /nfs/dbraw/zinc/46/53/84/588465384.db2.gz PGHKBGQVUIECTO-SECBINFHSA-N 1 2 238.360 1.146 20 0 BDADLO CC(C)[C@@H](O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000849817638 588503345 /nfs/dbraw/zinc/50/33/45/588503345.db2.gz JFSVVUQBBBSMCS-QWRGUYRKSA-N 1 2 240.303 1.394 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000849859195 588505755 /nfs/dbraw/zinc/50/57/55/588505755.db2.gz OWMSAEONDPBLOO-CYZMBNFOSA-N 1 2 248.326 1.942 20 0 BDADLO C[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc[nH]1 ZINC000850228205 588530790 /nfs/dbraw/zinc/53/07/90/588530790.db2.gz ADFCPCZNSSKEBR-VIFPVBQESA-N 1 2 248.334 1.607 20 0 BDADLO Cc1[nH]c(CNCc2cccnc2F)[nH+]c1C ZINC000850281319 588534695 /nfs/dbraw/zinc/53/46/95/588534695.db2.gz HOOWPOFHEWFOJH-UHFFFAOYSA-N 1 2 234.278 1.850 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)n1 ZINC000850375995 588541925 /nfs/dbraw/zinc/54/19/25/588541925.db2.gz VIJKTSZWXPUTQG-STQMWFEESA-N 1 2 243.310 1.986 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000885579754 588562566 /nfs/dbraw/zinc/56/25/66/588562566.db2.gz MGROSXGHIXRIDN-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1ccc(OCC[N@@H+](C)Cc2cnon2)cc1 ZINC000851717194 588616159 /nfs/dbraw/zinc/61/61/59/588616159.db2.gz INCNSYPNRYONGN-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1ccc(OCC[N@H+](C)Cc2cnon2)cc1 ZINC000851717194 588616160 /nfs/dbraw/zinc/61/61/60/588616160.db2.gz INCNSYPNRYONGN-UHFFFAOYSA-N 1 2 247.298 1.889 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H](O)c2ccccn2)no1 ZINC000851725610 588618152 /nfs/dbraw/zinc/61/81/52/588618152.db2.gz BZOITDVTQHHKMI-ZDUSSCGKSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H](O)c2ccccn2)no1 ZINC000851725610 588618153 /nfs/dbraw/zinc/61/81/53/588618153.db2.gz BZOITDVTQHHKMI-ZDUSSCGKSA-N 1 2 247.298 1.543 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cnon2)ccc1O ZINC000851753432 588623681 /nfs/dbraw/zinc/62/36/81/588623681.db2.gz VMKKYYAOOPMFCO-UHFFFAOYSA-N 1 2 249.270 1.416 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cnon2)ccc1O ZINC000851753432 588623682 /nfs/dbraw/zinc/62/36/82/588623682.db2.gz VMKKYYAOOPMFCO-UHFFFAOYSA-N 1 2 249.270 1.416 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnon2)CCS1 ZINC000851792710 588626421 /nfs/dbraw/zinc/62/64/21/588626421.db2.gz QYJPBPKVKWIMFV-SECBINFHSA-N 1 2 213.306 1.397 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnon2)CCS1 ZINC000851792710 588626422 /nfs/dbraw/zinc/62/64/22/588626422.db2.gz QYJPBPKVKWIMFV-SECBINFHSA-N 1 2 213.306 1.397 20 0 BDADLO OCCCC[NH+]1CCN(CCC2CCC2)CC1 ZINC000851848419 588634783 /nfs/dbraw/zinc/63/47/83/588634783.db2.gz JNOMIXGZIDELSR-UHFFFAOYSA-N 1 2 240.391 1.567 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cnon1 ZINC000851873248 588637536 /nfs/dbraw/zinc/63/75/36/588637536.db2.gz UJRNOVNXYGXQLS-SECBINFHSA-N 1 2 218.260 1.658 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cnon1 ZINC000851873248 588637537 /nfs/dbraw/zinc/63/75/37/588637537.db2.gz UJRNOVNXYGXQLS-SECBINFHSA-N 1 2 218.260 1.658 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000851875593 588638128 /nfs/dbraw/zinc/63/81/28/588638128.db2.gz OQPRMWDHXWATAB-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000851875593 588638129 /nfs/dbraw/zinc/63/81/29/588638129.db2.gz OQPRMWDHXWATAB-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1cccnc1 ZINC000851892858 588641361 /nfs/dbraw/zinc/64/13/61/588641361.db2.gz DINRZJIRPTXZCY-MRVPVSSYSA-N 1 2 204.233 1.315 20 0 BDADLO C[C@H]1C[NH+](CCOC(F)F)C[C@H](C)S1=O ZINC000851980781 588650962 /nfs/dbraw/zinc/65/09/62/588650962.db2.gz WUGXCCOKUAUASI-YUMQZZPRSA-N 1 2 241.303 1.067 20 0 BDADLO CSCCC[N@H+](C)Cc1cnon1 ZINC000852008945 588654842 /nfs/dbraw/zinc/65/48/42/588654842.db2.gz GIJDEIMZOBZORN-UHFFFAOYSA-N 1 2 201.295 1.255 20 0 BDADLO CSCCC[N@@H+](C)Cc1cnon1 ZINC000852008945 588654843 /nfs/dbraw/zinc/65/48/43/588654843.db2.gz GIJDEIMZOBZORN-UHFFFAOYSA-N 1 2 201.295 1.255 20 0 BDADLO CO[C@@H](C[NH2+][C@@]1(C)CCOC1=O)C1CCC1 ZINC000852062463 588658446 /nfs/dbraw/zinc/65/84/46/588658446.db2.gz FTBCHUFRZKHTIM-JQWIXIFHSA-N 1 2 227.304 1.097 20 0 BDADLO CCOC1(C)CC[NH+](Cc2cnon2)CC1 ZINC000852075537 588658903 /nfs/dbraw/zinc/65/89/03/588658903.db2.gz OLYIHGQFQYXTNM-UHFFFAOYSA-N 1 2 225.292 1.461 20 0 BDADLO c1nonc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000852079014 588660233 /nfs/dbraw/zinc/66/02/33/588660233.db2.gz XTLLUCJMXHRKFL-LLVKDONJSA-N 1 2 237.303 1.318 20 0 BDADLO c1nonc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000852079014 588660234 /nfs/dbraw/zinc/66/02/34/588660234.db2.gz XTLLUCJMXHRKFL-LLVKDONJSA-N 1 2 237.303 1.318 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)no1 ZINC000852121188 588664990 /nfs/dbraw/zinc/66/49/90/588664990.db2.gz KPAOPGJXZFBJAU-SNVBAGLBSA-N 1 2 232.230 1.185 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)no1 ZINC000852121188 588664991 /nfs/dbraw/zinc/66/49/91/588664991.db2.gz KPAOPGJXZFBJAU-SNVBAGLBSA-N 1 2 232.230 1.185 20 0 BDADLO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cnon2)C1 ZINC000852172929 588669068 /nfs/dbraw/zinc/66/90/68/588669068.db2.gz WCMNRGDIFKIYTN-QWHCGFSZSA-N 1 2 245.282 1.378 20 0 BDADLO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnon2)C1 ZINC000852172929 588669069 /nfs/dbraw/zinc/66/90/69/588669069.db2.gz WCMNRGDIFKIYTN-QWHCGFSZSA-N 1 2 245.282 1.378 20 0 BDADLO CCCC[N@@H+]1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000852168452 588669181 /nfs/dbraw/zinc/66/91/81/588669181.db2.gz WTCFRCMQXHAJKK-JTQLQIEISA-N 1 2 246.376 1.505 20 0 BDADLO CCCC[N@H+]1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000852168452 588669182 /nfs/dbraw/zinc/66/91/82/588669182.db2.gz WTCFRCMQXHAJKK-JTQLQIEISA-N 1 2 246.376 1.505 20 0 BDADLO Fc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000852212601 588672434 /nfs/dbraw/zinc/67/24/34/588672434.db2.gz CUQSKCFMJZSBII-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO Fc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000852212601 588672435 /nfs/dbraw/zinc/67/24/35/588672435.db2.gz CUQSKCFMJZSBII-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)on1 ZINC000852214106 588672940 /nfs/dbraw/zinc/67/29/40/588672940.db2.gz SPIRJMCKJNEIGU-OCAPTIKFSA-N 1 2 230.214 1.380 20 0 BDADLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)on1 ZINC000852214106 588672941 /nfs/dbraw/zinc/67/29/41/588672941.db2.gz SPIRJMCKJNEIGU-OCAPTIKFSA-N 1 2 230.214 1.380 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000852270829 588675130 /nfs/dbraw/zinc/67/51/30/588675130.db2.gz SNMKCXPHKMETNF-ZJUUUORDSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000852270829 588675131 /nfs/dbraw/zinc/67/51/31/588675131.db2.gz SNMKCXPHKMETNF-ZJUUUORDSA-N 1 2 236.319 1.740 20 0 BDADLO Cc1oncc1CN(C)Cc1c[nH+]c[nH]1 ZINC000852288375 588675785 /nfs/dbraw/zinc/67/57/85/588675785.db2.gz NTOZYOMPKXSNKR-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1oncc1CN(C)Cc1c[nH]c[nH+]1 ZINC000852288375 588675786 /nfs/dbraw/zinc/67/57/86/588675786.db2.gz NTOZYOMPKXSNKR-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO O=C1CCC2=C(CC[N@H+](Cc3cscn3)C2)N1 ZINC000852300935 588677310 /nfs/dbraw/zinc/67/73/10/588677310.db2.gz XMPFAVIZQNHVAW-UHFFFAOYSA-N 1 2 249.339 1.513 20 0 BDADLO O=C1CCC2=C(CC[N@@H+](Cc3cscn3)C2)N1 ZINC000852300935 588677311 /nfs/dbraw/zinc/67/73/11/588677311.db2.gz XMPFAVIZQNHVAW-UHFFFAOYSA-N 1 2 249.339 1.513 20 0 BDADLO CC[C@@H](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000852342211 588679060 /nfs/dbraw/zinc/67/90/60/588679060.db2.gz JZPARCLSWLVKDT-SNVBAGLBSA-N 1 2 238.335 1.656 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000852345966 588679142 /nfs/dbraw/zinc/67/91/42/588679142.db2.gz QPEDLUWNKDCYDJ-UWVGGRQHSA-N 1 2 246.314 1.285 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000852345966 588679143 /nfs/dbraw/zinc/67/91/43/588679143.db2.gz QPEDLUWNKDCYDJ-UWVGGRQHSA-N 1 2 246.314 1.285 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1C=CCC1 ZINC000852369366 588680137 /nfs/dbraw/zinc/68/01/37/588680137.db2.gz CLSBJBHINAEGCG-SNVBAGLBSA-N 1 2 234.303 1.421 20 0 BDADLO CC(C)c1nc(N2CCC3(C2)OCCO3)cc[nH+]1 ZINC000110587497 588680654 /nfs/dbraw/zinc/68/06/54/588680654.db2.gz BGEZJCWJZPOJQQ-UHFFFAOYSA-N 1 2 249.314 1.553 20 0 BDADLO C[C@H]([NH2+]CC1OCCO1)c1cscn1 ZINC000852417939 588681579 /nfs/dbraw/zinc/68/15/79/588681579.db2.gz YQWUAPWOGDNPKZ-ZETCQYMHSA-N 1 2 214.290 1.167 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC(=O)C(C)C)o1 ZINC000852471006 588683188 /nfs/dbraw/zinc/68/31/88/588683188.db2.gz AQEZFCXISFMWEQ-UHFFFAOYSA-N 1 2 225.292 1.425 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC(=O)C(C)C)o1 ZINC000852471006 588683189 /nfs/dbraw/zinc/68/31/89/588683189.db2.gz AQEZFCXISFMWEQ-UHFFFAOYSA-N 1 2 225.292 1.425 20 0 BDADLO COC(=O)/C(C)=C/C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000852473921 588683454 /nfs/dbraw/zinc/68/34/54/588683454.db2.gz IIVWWRPKBVIVIN-UJQHZETGSA-N 1 2 239.315 1.263 20 0 BDADLO COCC[N@H+](CCF)Cc1cc(C2CC2)no1 ZINC000852480536 588684369 /nfs/dbraw/zinc/68/43/69/588684369.db2.gz RKULTSADOMIAJM-UHFFFAOYSA-N 1 2 242.294 1.970 20 0 BDADLO COCC[N@@H+](CCF)Cc1cc(C2CC2)no1 ZINC000852480536 588684370 /nfs/dbraw/zinc/68/43/70/588684370.db2.gz RKULTSADOMIAJM-UHFFFAOYSA-N 1 2 242.294 1.970 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+](CCF)CCOC ZINC000852484216 588685180 /nfs/dbraw/zinc/68/51/80/588685180.db2.gz XYKRCXGYQYCDJP-LLVKDONJSA-N 1 2 248.342 1.161 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](CCF)CCOC ZINC000852484216 588685181 /nfs/dbraw/zinc/68/51/81/588685181.db2.gz XYKRCXGYQYCDJP-LLVKDONJSA-N 1 2 248.342 1.161 20 0 BDADLO C[C@@]12COC[C@H]1C[N@H+](CC(F)(F)C(F)F)C2 ZINC000852534552 588688504 /nfs/dbraw/zinc/68/85/04/588688504.db2.gz MSGRAUYYKOUSKL-VXNVDRBHSA-N 1 2 241.228 1.855 20 0 BDADLO C[C@@]12COC[C@H]1C[N@@H+](CC(F)(F)C(F)F)C2 ZINC000852534552 588688505 /nfs/dbraw/zinc/68/85/05/588688505.db2.gz MSGRAUYYKOUSKL-VXNVDRBHSA-N 1 2 241.228 1.855 20 0 BDADLO COc1ccc2c(c1)CC[N@H+]([C@@H]1CCOC1=O)C2 ZINC000852551391 588688997 /nfs/dbraw/zinc/68/89/97/588688997.db2.gz UKUSFTZBISTRPR-CYBMUJFWSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccc2c(c1)CC[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000852551391 588688998 /nfs/dbraw/zinc/68/89/98/588688998.db2.gz UKUSFTZBISTRPR-CYBMUJFWSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccc2c(c1)CC[N@H+]([C@H]1CCOC1=O)C2 ZINC000852551392 588689147 /nfs/dbraw/zinc/68/91/47/588689147.db2.gz UKUSFTZBISTRPR-ZDUSSCGKSA-N 1 2 247.294 1.369 20 0 BDADLO COc1ccc2c(c1)CC[N@@H+]([C@H]1CCOC1=O)C2 ZINC000852551392 588689148 /nfs/dbraw/zinc/68/91/48/588689148.db2.gz UKUSFTZBISTRPR-ZDUSSCGKSA-N 1 2 247.294 1.369 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnon2)C[C@H](C)O1 ZINC000852588753 588692386 /nfs/dbraw/zinc/69/23/86/588692386.db2.gz YLHMRZVVRNRQNA-BDAKNGLRSA-N 1 2 211.265 1.069 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnon2)C[C@H](C)O1 ZINC000852588753 588692387 /nfs/dbraw/zinc/69/23/87/588692387.db2.gz YLHMRZVVRNRQNA-BDAKNGLRSA-N 1 2 211.265 1.069 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852585393 588692534 /nfs/dbraw/zinc/69/25/34/588692534.db2.gz FGMOFHMVHYQLQA-WDEREUQCSA-N 1 2 241.331 1.223 20 0 BDADLO Cl/C=C\C[N@@H+]1CCc2nccnc2C1 ZINC000852699304 588696765 /nfs/dbraw/zinc/69/67/65/588696765.db2.gz IASXDCFQPUCCKN-IWQZZHSRSA-N 1 2 209.680 1.587 20 0 BDADLO Cl/C=C\C[N@H+]1CCc2nccnc2C1 ZINC000852699304 588696766 /nfs/dbraw/zinc/69/67/66/588696766.db2.gz IASXDCFQPUCCKN-IWQZZHSRSA-N 1 2 209.680 1.587 20 0 BDADLO Cl/C=C/C[N@@H+]1CCc2nccnc2C1 ZINC000852699303 588696897 /nfs/dbraw/zinc/69/68/97/588696897.db2.gz IASXDCFQPUCCKN-HNQUOIGGSA-N 1 2 209.680 1.587 20 0 BDADLO Cl/C=C/C[N@H+]1CCc2nccnc2C1 ZINC000852699303 588696898 /nfs/dbraw/zinc/69/68/98/588696898.db2.gz IASXDCFQPUCCKN-HNQUOIGGSA-N 1 2 209.680 1.587 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCC(=O)C2CC2)CCO1 ZINC000852784473 588702156 /nfs/dbraw/zinc/70/21/56/588702156.db2.gz MJRYLJFNRDVZNJ-LBPRGKRZSA-N 1 2 247.285 1.712 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCC(=O)C2CC2)CCO1 ZINC000852784473 588702157 /nfs/dbraw/zinc/70/21/57/588702157.db2.gz MJRYLJFNRDVZNJ-LBPRGKRZSA-N 1 2 247.285 1.712 20 0 BDADLO COC1CC(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000860553093 589105901 /nfs/dbraw/zinc/10/59/01/589105901.db2.gz FKANDOFFNTYXSZ-ILDUYXDCSA-N 1 2 249.314 1.498 20 0 BDADLO CCc1nocc1C(=O)OCc1c[nH+]cn1C ZINC000860576451 589107054 /nfs/dbraw/zinc/10/70/54/589107054.db2.gz TWXAFVCLNAWKRF-UHFFFAOYSA-N 1 2 235.243 1.328 20 0 BDADLO Cc1nocc1C(=O)OCc1c[nH+]cn1C ZINC000860576314 589107221 /nfs/dbraw/zinc/10/72/21/589107221.db2.gz RLSDWHRWPCPVMW-UHFFFAOYSA-N 1 2 221.216 1.074 20 0 BDADLO Cc1cocc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000860719614 589116096 /nfs/dbraw/zinc/11/60/96/589116096.db2.gz ZXJIBDNQSOBIBD-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO Cc1cocc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000860719614 589116097 /nfs/dbraw/zinc/11/60/97/589116097.db2.gz ZXJIBDNQSOBIBD-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO Cc1nocc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000860719007 589116139 /nfs/dbraw/zinc/11/61/39/589116139.db2.gz NKGBWVOOVAPMRQ-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO Cc1nocc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000860719007 589116140 /nfs/dbraw/zinc/11/61/40/589116140.db2.gz NKGBWVOOVAPMRQ-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)C1(F)CCCC1 ZINC000861761406 589176842 /nfs/dbraw/zinc/17/68/42/589176842.db2.gz FWELXFPOWNYJDM-UHFFFAOYSA-N 1 2 237.278 1.577 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)C1(F)CCCC1 ZINC000861761406 589176844 /nfs/dbraw/zinc/17/68/44/589176844.db2.gz FWELXFPOWNYJDM-UHFFFAOYSA-N 1 2 237.278 1.577 20 0 BDADLO O=C(CSC(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000861762784 589177364 /nfs/dbraw/zinc/17/73/64/589177364.db2.gz FNJMKKXSJJDAQP-UHFFFAOYSA-N 1 2 247.270 1.250 20 0 BDADLO O=C(CSC(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000861762784 589177365 /nfs/dbraw/zinc/17/73/65/589177365.db2.gz FNJMKKXSJJDAQP-UHFFFAOYSA-N 1 2 247.270 1.250 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cnc(C)o2)C1 ZINC000862252410 589197420 /nfs/dbraw/zinc/19/74/20/589197420.db2.gz SYTNWUSZEKFCTQ-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cnc(C)o2)C1 ZINC000862252410 589197421 /nfs/dbraw/zinc/19/74/21/589197421.db2.gz SYTNWUSZEKFCTQ-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccns1 ZINC000862411109 589210614 /nfs/dbraw/zinc/21/06/14/589210614.db2.gz SATDEAYGVXMGCQ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccns1 ZINC000862411109 589210615 /nfs/dbraw/zinc/21/06/15/589210615.db2.gz SATDEAYGVXMGCQ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO C[C@H](CSC(C)(C)C)[NH2+]Cc1c[nH]nn1 ZINC000862424357 589211744 /nfs/dbraw/zinc/21/17/44/589211744.db2.gz MUUJQQXLMWLYKG-MRVPVSSYSA-N 1 2 228.365 1.815 20 0 BDADLO C[C@H](CSC(C)(C)C)[NH2+]Cc1cn[nH]n1 ZINC000862424357 589211746 /nfs/dbraw/zinc/21/17/46/589211746.db2.gz MUUJQQXLMWLYKG-MRVPVSSYSA-N 1 2 228.365 1.815 20 0 BDADLO CCCOCSc1[nH+]cnc2c1cnn2C ZINC000863278194 589275730 /nfs/dbraw/zinc/27/57/30/589275730.db2.gz BREFQUCFRBQJNJ-UHFFFAOYSA-N 1 2 238.316 1.840 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@@H]1CCOC1 ZINC000119399077 589276689 /nfs/dbraw/zinc/27/66/89/589276689.db2.gz NUCIRJWCJXRPMB-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCOC1 ZINC000119399077 589276690 /nfs/dbraw/zinc/27/66/90/589276690.db2.gz NUCIRJWCJXRPMB-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO COC1CC(O[NH+]=C(N)[C@H](C)OCC(C)C)C1 ZINC000863457067 589289372 /nfs/dbraw/zinc/28/93/72/589289372.db2.gz DDRZJPMBQCOJLW-WHXUTIOJSA-N 1 2 244.335 1.723 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC1CC(C)(C)C1 ZINC000863459019 589290071 /nfs/dbraw/zinc/29/00/71/589290071.db2.gz JGVHJQKZXPCQIP-QMMMGPOBSA-N 1 2 214.309 1.956 20 0 BDADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000863475273 589291747 /nfs/dbraw/zinc/29/17/47/589291747.db2.gz KALJNKDAPUJSHH-OUAUKWLOSA-N 1 2 242.319 1.336 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](OCC)C2CC2)n1 ZINC000863656560 589308075 /nfs/dbraw/zinc/30/80/75/589308075.db2.gz PHPVQADKIPVLKT-JTQLQIEISA-N 1 2 225.292 1.667 20 0 BDADLO CC[C@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000204198325 589316024 /nfs/dbraw/zinc/31/60/24/589316024.db2.gz HAJYVRQEXLNFME-NSHDSACASA-N 1 2 229.320 1.298 20 0 BDADLO C[C@H](O)c1cccc(N2C[C@@H]3COC[C@]3(C)C2)[nH+]1 ZINC000864089609 589342892 /nfs/dbraw/zinc/34/28/92/589342892.db2.gz UWFAGMONFOKRKA-WDMOLILDSA-N 1 2 248.326 1.608 20 0 BDADLO CC(C)Cc1cc(N[C@H]2C[C@@H](CO)C2)nc[nH+]1 ZINC000864091286 589343233 /nfs/dbraw/zinc/34/32/33/589343233.db2.gz ATCFUOBPNFBZMY-KLPPZKSPSA-N 1 2 235.331 1.858 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000864093525 589344326 /nfs/dbraw/zinc/34/43/26/589344326.db2.gz RXVRIBRUCUSSHO-XRNSZHNASA-N 1 2 222.288 1.724 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864384914 589357383 /nfs/dbraw/zinc/35/73/83/589357383.db2.gz IGIPIKUTISHNQW-ZJUUUORDSA-N 1 2 248.317 1.878 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864384914 589357384 /nfs/dbraw/zinc/35/73/84/589357384.db2.gz IGIPIKUTISHNQW-ZJUUUORDSA-N 1 2 248.317 1.878 20 0 BDADLO O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCC1 ZINC000864608656 589382779 /nfs/dbraw/zinc/38/27/79/589382779.db2.gz SIECBYVJJXYSJJ-VIFPVBQESA-N 1 2 232.274 1.196 20 0 BDADLO O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCC1 ZINC000864608656 589382781 /nfs/dbraw/zinc/38/27/81/589382781.db2.gz SIECBYVJJXYSJJ-VIFPVBQESA-N 1 2 232.274 1.196 20 0 BDADLO CCCCN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864724805 589391204 /nfs/dbraw/zinc/39/12/04/589391204.db2.gz RMKONZWJZTVDSA-AATRIKPKSA-N 1 2 240.347 1.133 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865162359 589411538 /nfs/dbraw/zinc/41/15/38/589411538.db2.gz KUYVAWDPXZUZIU-KKZNHRDASA-N 1 2 237.303 1.233 20 0 BDADLO C[N@H+](CCOCC1CC1)CN1CCSC1=O ZINC000120410701 589412488 /nfs/dbraw/zinc/41/24/88/589412488.db2.gz NAKDBDOCYZATRF-UHFFFAOYSA-N 1 2 244.360 1.471 20 0 BDADLO C[N@@H+](CCOCC1CC1)CN1CCSC1=O ZINC000120410701 589412490 /nfs/dbraw/zinc/41/24/90/589412490.db2.gz NAKDBDOCYZATRF-UHFFFAOYSA-N 1 2 244.360 1.471 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000865172284 589412705 /nfs/dbraw/zinc/41/27/05/589412705.db2.gz TXFWCBDTKIDCAG-BJIOATRMSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000865172284 589412706 /nfs/dbraw/zinc/41/27/06/589412706.db2.gz TXFWCBDTKIDCAG-BJIOATRMSA-N 1 2 244.310 1.087 20 0 BDADLO C[N@H+](C/C=C/Cl)CC(=O)NC(C)(C)C ZINC000120447172 589415456 /nfs/dbraw/zinc/41/54/56/589415456.db2.gz MWNDSEXYIYGHMO-AATRIKPKSA-N 1 2 218.728 1.585 20 0 BDADLO C[N@@H+](C/C=C/Cl)CC(=O)NC(C)(C)C ZINC000120447172 589415457 /nfs/dbraw/zinc/41/54/57/589415457.db2.gz MWNDSEXYIYGHMO-AATRIKPKSA-N 1 2 218.728 1.585 20 0 BDADLO CCCn1cc(CNc2cccc[nH+]2)nn1 ZINC000865289672 589419491 /nfs/dbraw/zinc/41/94/91/589419491.db2.gz CFPJGCWCFVGOEJ-UHFFFAOYSA-N 1 2 217.276 1.695 20 0 BDADLO CC(C)Cc1cc(-n2cc[nH+]c2)ncn1 ZINC000865412262 589434060 /nfs/dbraw/zinc/43/40/60/589434060.db2.gz MEJDAGYQMNOTDM-UHFFFAOYSA-N 1 2 202.261 1.861 20 0 BDADLO c1cc(CNCc2cn(C3CC3)c[nH+]2)n[nH]1 ZINC000865455174 589437052 /nfs/dbraw/zinc/43/70/52/589437052.db2.gz WZPXTEOVMQQIRV-UHFFFAOYSA-N 1 2 217.276 1.231 20 0 BDADLO c1cc(C[NH2+]Cc2cn(C3CC3)cn2)n[nH]1 ZINC000865455174 589437053 /nfs/dbraw/zinc/43/70/53/589437053.db2.gz WZPXTEOVMQQIRV-UHFFFAOYSA-N 1 2 217.276 1.231 20 0 BDADLO CCn1cc(C[NH2+]Cc2cn(C3CC3)cn2)cn1 ZINC000865468053 589438571 /nfs/dbraw/zinc/43/85/71/589438571.db2.gz AGPJUAPZCXHMOC-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO CC(C)Cc1cc(NCC(C)(C)O)nc[nH+]1 ZINC000865507191 589441737 /nfs/dbraw/zinc/44/17/37/589441737.db2.gz LQQSGONIOROXBZ-UHFFFAOYSA-N 1 2 223.320 1.858 20 0 BDADLO Cc1nc(NCCNc2ccccc2)nc(N)[nH+]1 ZINC000865545246 589445439 /nfs/dbraw/zinc/44/54/39/589445439.db2.gz FQGHFMBQILUFCN-UHFFFAOYSA-N 1 2 244.302 1.286 20 0 BDADLO Cc1nc(N)nc(NCCNc2ccccc2)[nH+]1 ZINC000865545246 589445440 /nfs/dbraw/zinc/44/54/40/589445440.db2.gz FQGHFMBQILUFCN-UHFFFAOYSA-N 1 2 244.302 1.286 20 0 BDADLO COc1cncc(NCc2cn(C)c[nH+]2)c1 ZINC000865657235 589454699 /nfs/dbraw/zinc/45/46/99/589454699.db2.gz YDZUDWGLONSDNF-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO Fc1ccc(NCCCCn2cc[nH+]c2)nn1 ZINC000865657811 589455040 /nfs/dbraw/zinc/45/50/40/589455040.db2.gz RLOSHFPRHYRQAA-UHFFFAOYSA-N 1 2 235.266 1.705 20 0 BDADLO C[C@H](O)c1ccc(N2CCC[C@H]2CCO)[nH+]c1 ZINC000865689765 589456026 /nfs/dbraw/zinc/45/60/26/589456026.db2.gz OIXBUJLVFSXUBC-JQWIXIFHSA-N 1 2 236.315 1.486 20 0 BDADLO CC/C=C(/F)C(=O)N1CC[NH+](CCOC)CC1 ZINC000865787546 589461933 /nfs/dbraw/zinc/46/19/33/589461933.db2.gz PUNFOMGXTDXFLE-NYYWCZLTSA-N 1 2 244.310 1.040 20 0 BDADLO CC(C)Cc1cc(N[C@@H]2COC(=O)C2)nc[nH+]1 ZINC000865820840 589463179 /nfs/dbraw/zinc/46/31/79/589463179.db2.gz YCKYXVRZLJNTFI-JTQLQIEISA-N 1 2 235.287 1.403 20 0 BDADLO COc1ncncc1C[NH2+][C@@H](C)c1ccnn1C ZINC000865838529 589464457 /nfs/dbraw/zinc/46/44/57/589464457.db2.gz XLHBIYRHWYTGJJ-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@@H](C(=O)OCC1CC1)[NH+]1CCSCC1 ZINC000120787923 589466107 /nfs/dbraw/zinc/46/61/07/589466107.db2.gz ACUITOHPIPUFTB-VIFPVBQESA-N 1 2 229.345 1.377 20 0 BDADLO CCc1cc(N[C@@H](CC)C(OC)OC)nc[nH+]1 ZINC000865922659 589468759 /nfs/dbraw/zinc/46/87/59/589468759.db2.gz BJZLAAGDDHSGBF-JTQLQIEISA-N 1 2 239.319 1.848 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1C2CCCC1CCC2 ZINC000866101413 589476106 /nfs/dbraw/zinc/47/61/06/589476106.db2.gz VDTZIBFAPXJSIU-CBINBANVSA-N 1 2 249.314 1.377 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ncc[nH]1 ZINC000866634902 589506261 /nfs/dbraw/zinc/50/62/61/589506261.db2.gz VJHRDKCBYOOMNA-VHSXEESVSA-N 1 2 231.303 1.792 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OCCCF ZINC000867936137 589540475 /nfs/dbraw/zinc/54/04/75/589540475.db2.gz VEINRJWEBIRAKW-UHFFFAOYSA-N 1 2 215.228 1.006 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000868413390 589557985 /nfs/dbraw/zinc/55/79/85/589557985.db2.gz SHIFDDURZFYXBW-QTKMDUPCSA-N 1 2 233.315 1.328 20 0 BDADLO C=C=CCNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000868497681 589561188 /nfs/dbraw/zinc/56/11/88/589561188.db2.gz UTDOGHYKCREORK-SNVBAGLBSA-N 1 2 244.285 1.421 20 0 BDADLO C=C=CCNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000868497681 589561189 /nfs/dbraw/zinc/56/11/89/589561189.db2.gz UTDOGHYKCREORK-SNVBAGLBSA-N 1 2 244.285 1.421 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000868507429 589561409 /nfs/dbraw/zinc/56/14/09/589561409.db2.gz VNLBQDBRUFZTGZ-NZFPMDFQSA-N 1 2 233.315 1.879 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@H]1C(F)F ZINC000868604536 589566982 /nfs/dbraw/zinc/56/69/82/589566982.db2.gz OEKNIYRCHUIVTN-VIFPVBQESA-N 1 2 243.257 1.529 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000868697534 589573508 /nfs/dbraw/zinc/57/35/08/589573508.db2.gz BVLVQOJHRFWBJZ-YCFDNDNXSA-N 1 2 223.251 1.187 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868812745 589578012 /nfs/dbraw/zinc/57/80/12/589578012.db2.gz KEIDQOWWLRHGMN-WPRPVWTQSA-N 1 2 237.303 1.233 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869101775 589588986 /nfs/dbraw/zinc/58/89/86/589588986.db2.gz QKADRUJUBJDEDA-OLXTUZCPSA-N 1 2 237.278 1.578 20 0 BDADLO CO[C@H](C)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000122465115 589592065 /nfs/dbraw/zinc/59/20/65/589592065.db2.gz BOEHGMCIVUYROZ-ZJUUUORDSA-N 1 2 247.360 1.002 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000122543864 589600311 /nfs/dbraw/zinc/60/03/11/589600311.db2.gz NEZZSNHWTOPBAU-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000122543864 589600312 /nfs/dbraw/zinc/60/03/12/589600312.db2.gz NEZZSNHWTOPBAU-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO Cc1cc(F)ncc1C(=O)OCCn1cc[nH+]c1 ZINC000870004860 589642101 /nfs/dbraw/zinc/64/21/01/589642101.db2.gz XGHAOWNLROYNIO-UHFFFAOYSA-N 1 2 249.245 1.583 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC[C@H]1F ZINC000870489195 589668864 /nfs/dbraw/zinc/66/88/64/589668864.db2.gz HUHXXSZZUDFXML-MNOVXSKESA-N 1 2 239.294 1.739 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC[C@H]1F ZINC000870489195 589668865 /nfs/dbraw/zinc/66/88/65/589668865.db2.gz HUHXXSZZUDFXML-MNOVXSKESA-N 1 2 239.294 1.739 20 0 BDADLO CCc1cc(NCCC[S@@](C)=O)nc[nH+]1 ZINC000123472273 589720205 /nfs/dbraw/zinc/72/02/05/589720205.db2.gz VYRYKGVREUMSNL-HNNXBMFYSA-N 1 2 227.333 1.220 20 0 BDADLO OCCCSCc1[nH+]ccn1CC(F)F ZINC000871676563 589788436 /nfs/dbraw/zinc/78/84/36/589788436.db2.gz ZVHGORLILQMURB-UHFFFAOYSA-N 1 2 236.287 1.764 20 0 BDADLO Cc1conc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000871749033 589804454 /nfs/dbraw/zinc/80/44/54/589804454.db2.gz QYEKCBZSAMXHBF-VIFPVBQESA-N 1 2 225.248 1.160 20 0 BDADLO CC(C)OCCO[NH+]=C(N)COC1CCC1 ZINC000871778621 589813579 /nfs/dbraw/zinc/81/35/79/589813579.db2.gz QJTXLILRSHMWCI-UHFFFAOYSA-N 1 2 230.308 1.479 20 0 BDADLO CC(=O)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000123849375 589829727 /nfs/dbraw/zinc/82/97/27/589829727.db2.gz WLQYZMFMTBQLKT-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO Cc1[nH+]c2ccccc2n1C[C@H](O)CC(C)(C)O ZINC000871963921 589847784 /nfs/dbraw/zinc/84/77/84/589847784.db2.gz MBXOQNMSVHWRDG-LLVKDONJSA-N 1 2 248.326 1.867 20 0 BDADLO CS(=O)(=O)CC[NH+]1CC(c2ccccc2)C1 ZINC000871988209 589853826 /nfs/dbraw/zinc/85/38/26/589853826.db2.gz MEGGMIRPUHHYQD-UHFFFAOYSA-N 1 2 239.340 1.130 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872216622 589895322 /nfs/dbraw/zinc/89/53/22/589895322.db2.gz ZAUCYERBGUUJKD-QMMMGPOBSA-N 1 2 225.279 1.143 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1OCC2 ZINC000872280195 589905182 /nfs/dbraw/zinc/90/51/82/589905182.db2.gz PAAGWXIEUNEAOU-MFKMUULPSA-N 1 2 249.314 1.170 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312586 589909438 /nfs/dbraw/zinc/90/94/38/589909438.db2.gz KABWRAYJEQOVLT-LOWVWBTDSA-N 1 2 241.331 1.629 20 0 BDADLO CCC[N@H+](CCC1OCCO1)CC(F)F ZINC000124075660 589926688 /nfs/dbraw/zinc/92/66/88/589926688.db2.gz LVAPHVRJUAIFCG-UHFFFAOYSA-N 1 2 223.263 1.727 20 0 BDADLO CCC[N@@H+](CCC1OCCO1)CC(F)F ZINC000124075660 589926689 /nfs/dbraw/zinc/92/66/89/589926689.db2.gz LVAPHVRJUAIFCG-UHFFFAOYSA-N 1 2 223.263 1.727 20 0 BDADLO CC(C)c1nnc(N(C)Cc2[nH]cc[nH+]2)o1 ZINC000872456038 589941309 /nfs/dbraw/zinc/94/13/09/589941309.db2.gz AOTFPGGJMSHHQE-UHFFFAOYSA-N 1 2 221.264 1.553 20 0 BDADLO O=c1sccn1C[NH+]1CCC(CCF)CC1 ZINC000872647462 589958755 /nfs/dbraw/zinc/95/87/55/589958755.db2.gz AYJWIKMSIKGQNH-UHFFFAOYSA-N 1 2 244.335 1.939 20 0 BDADLO Cc1nc(N2CC[C@@H](C(C)(C)O)C2)c(C)c(C)[nH+]1 ZINC000872782994 589970125 /nfs/dbraw/zinc/97/01/25/589970125.db2.gz GYUTULVATUNZGW-GFCCVEGCSA-N 1 2 249.358 1.999 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC12CCC2 ZINC000873016866 589979842 /nfs/dbraw/zinc/97/98/42/589979842.db2.gz RLBBIDLVYNUIPQ-SNVBAGLBSA-N 1 2 234.303 1.162 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873157212 589988749 /nfs/dbraw/zinc/98/87/49/589988749.db2.gz UJBJYOPCGVEWRS-DRZSPHRISA-N 1 2 235.331 1.765 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2nccnc2C)[nH+]c1C ZINC000873186652 589990635 /nfs/dbraw/zinc/99/06/35/589990635.db2.gz UGWKTQWGRBRCEM-LLVKDONJSA-N 1 2 245.330 1.976 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1cnc(N)cn1 ZINC000873203104 589992794 /nfs/dbraw/zinc/99/27/94/589992794.db2.gz PNRVNSXVDAUWES-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1cnc(N)cn1 ZINC000873203104 589992796 /nfs/dbraw/zinc/99/27/96/589992796.db2.gz PNRVNSXVDAUWES-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO CC[C@H](OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)=O ZINC000873385386 590035561 /nfs/dbraw/zinc/03/55/61/590035561.db2.gz VAGQVVGVFBJOGY-UMNHJUIQSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)=O ZINC000873385386 590035564 /nfs/dbraw/zinc/03/55/64/590035564.db2.gz VAGQVVGVFBJOGY-UMNHJUIQSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)=O ZINC000873403042 590038828 /nfs/dbraw/zinc/03/88/28/590038828.db2.gz BMHCHLYWDOQMLG-KOLCDFICSA-N 1 2 238.287 1.745 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000020294652 590097205 /nfs/dbraw/zinc/09/72/05/590097205.db2.gz DYDIDFFZUNMWAW-VIFPVBQESA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000020294652 590097207 /nfs/dbraw/zinc/09/72/07/590097207.db2.gz DYDIDFFZUNMWAW-VIFPVBQESA-N 1 2 239.706 1.185 20 0 BDADLO COCCN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124927182 590101715 /nfs/dbraw/zinc/10/17/15/590101715.db2.gz RERJVXKEDSIUSU-VIFPVBQESA-N 1 2 210.277 1.218 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2nccnc2C)c[nH+]1 ZINC000874664393 590122559 /nfs/dbraw/zinc/12/25/59/590122559.db2.gz IZXVZJRWCMNHAQ-QMMMGPOBSA-N 1 2 245.286 1.308 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CCC2 ZINC000874777015 590129114 /nfs/dbraw/zinc/12/91/14/590129114.db2.gz IBYBBLNHGCHTDI-KOLCDFICSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CCC2 ZINC000874777015 590129116 /nfs/dbraw/zinc/12/91/16/590129116.db2.gz IBYBBLNHGCHTDI-KOLCDFICSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000875519231 590164965 /nfs/dbraw/zinc/16/49/65/590164965.db2.gz ZLYQTFYKOSHJLT-GMTAPVOTSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC(=O)O1 ZINC000875693837 590168439 /nfs/dbraw/zinc/16/84/39/590168439.db2.gz ZFJWIELCGBKFEM-SECBINFHSA-N 1 2 234.255 1.343 20 0 BDADLO Cc1cc(/C=C\N2CCCC2=O)cc[nH+]1 ZINC000876500926 590202937 /nfs/dbraw/zinc/20/29/37/590202937.db2.gz JZYMVOIBFKHEJD-YVMONPNESA-N 1 2 202.257 1.983 20 0 BDADLO OCC[N@H+](Cc1nc(Cl)cs1)C1CC1 ZINC000876579145 590218113 /nfs/dbraw/zinc/21/81/13/590218113.db2.gz CFKJDLYMNWFXBG-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO OCC[N@@H+](Cc1nc(Cl)cs1)C1CC1 ZINC000876579145 590218114 /nfs/dbraw/zinc/21/81/14/590218114.db2.gz CFKJDLYMNWFXBG-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cc(C)cc(C)c1 ZINC000876586822 590218466 /nfs/dbraw/zinc/21/84/66/590218466.db2.gz JIYLHAVMKWOGAM-UHFFFAOYSA-N 1 2 235.327 1.951 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cc(C)cc(C)c1 ZINC000876586822 590218468 /nfs/dbraw/zinc/21/84/68/590218468.db2.gz JIYLHAVMKWOGAM-UHFFFAOYSA-N 1 2 235.327 1.951 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2=O)o1 ZINC000126112749 590231344 /nfs/dbraw/zinc/23/13/44/590231344.db2.gz MRDDCDFHHULTKZ-SNVBAGLBSA-N 1 2 209.245 1.335 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CCOC2=O)o1 ZINC000126112749 590231345 /nfs/dbraw/zinc/23/13/45/590231345.db2.gz MRDDCDFHHULTKZ-SNVBAGLBSA-N 1 2 209.245 1.335 20 0 BDADLO CCCn1cc(C[N@@H+]2CCC2(C)C)nn1 ZINC000876743712 590236440 /nfs/dbraw/zinc/23/64/40/590236440.db2.gz KZNLZXSMZMNKJM-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO CCCn1cc(C[N@H+]2CCC2(C)C)nn1 ZINC000876743712 590236441 /nfs/dbraw/zinc/23/64/41/590236441.db2.gz KZNLZXSMZMNKJM-UHFFFAOYSA-N 1 2 208.309 1.672 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccc(F)n1 ZINC000877114958 590288034 /nfs/dbraw/zinc/28/80/34/590288034.db2.gz FGZXVGNLOYTPAD-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(Cl)cs1)C(=O)N(C)C ZINC000877158438 590294162 /nfs/dbraw/zinc/29/41/62/590294162.db2.gz SSZZXTIGDZAOBP-ZCFIWIBFSA-N 1 2 247.751 1.363 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](C)OC ZINC000877302561 590309790 /nfs/dbraw/zinc/30/97/90/590309790.db2.gz GDAZRSWBBPMTRW-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)[C@H]1CO ZINC000877464909 590333607 /nfs/dbraw/zinc/33/36/07/590333607.db2.gz OTQAPXVBKXAVQZ-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)[C@H]1CO ZINC000877464909 590333610 /nfs/dbraw/zinc/33/36/10/590333610.db2.gz OTQAPXVBKXAVQZ-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO COC1C[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000877579121 590364488 /nfs/dbraw/zinc/36/44/88/590364488.db2.gz UZFABGSECBAEQJ-ZCFIWIBFSA-N 1 2 210.104 1.511 20 0 BDADLO CN(C)c1ccc(F)cc1C[NH+]1CC(C)(O)C1 ZINC000877580509 590364707 /nfs/dbraw/zinc/36/47/07/590364707.db2.gz FGSAYMJLMJALHT-UHFFFAOYSA-N 1 2 238.306 1.458 20 0 BDADLO CCCn1cc(C[NH+]2CC(CC)C2)nn1 ZINC000877579044 590364840 /nfs/dbraw/zinc/36/48/40/590364840.db2.gz MLEAOSHYBVDRPR-UHFFFAOYSA-N 1 2 208.309 1.530 20 0 BDADLO COc1cnc(F)c(C[NH+]2CC(CCO)C2)c1 ZINC000877581008 590365686 /nfs/dbraw/zinc/36/56/86/590365686.db2.gz VQCPPWTYGUNWGE-UHFFFAOYSA-N 1 2 240.278 1.044 20 0 BDADLO COCC1(C)C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000877582446 590366631 /nfs/dbraw/zinc/36/66/31/590366631.db2.gz WLORBUXLGULBGS-UHFFFAOYSA-N 1 2 241.722 1.598 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1ccc(Cl)nn1)CC2 ZINC000877630668 590377784 /nfs/dbraw/zinc/37/77/84/590377784.db2.gz ITJPJQKTKISUDH-GZMMTYOYSA-N 1 2 239.706 1.087 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1ccc(Cl)nn1)CC2 ZINC000877630668 590377787 /nfs/dbraw/zinc/37/77/87/590377787.db2.gz ITJPJQKTKISUDH-GZMMTYOYSA-N 1 2 239.706 1.087 20 0 BDADLO COCc1cc(C[NH2+]C2CSC2)no1 ZINC000877633928 590378734 /nfs/dbraw/zinc/37/87/34/590378734.db2.gz ANTBFUOODWDSFH-UHFFFAOYSA-N 1 2 214.290 1.026 20 0 BDADLO Cn1cc(CNCc2[nH]cc[nH+]2)c(Cl)n1 ZINC000877672709 590389527 /nfs/dbraw/zinc/38/95/27/590389527.db2.gz LFNRTFWLNCTFQE-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO COC(=O)C1(O)C[NH+](Cc2cccc(C)c2C)C1 ZINC000877768201 590420471 /nfs/dbraw/zinc/42/04/71/590420471.db2.gz BVIHWGFYEWLCLC-UHFFFAOYSA-N 1 2 249.310 1.023 20 0 BDADLO COC(=O)[C@H](Cc1cncs1)[NH2+]CC1CC1 ZINC000877802229 590425013 /nfs/dbraw/zinc/42/50/13/590425013.db2.gz RHINOYVMQLITOP-JTQLQIEISA-N 1 2 240.328 1.227 20 0 BDADLO c1cc(CCOCc2[nH]cc[nH+]2)sn1 ZINC000877884451 590438634 /nfs/dbraw/zinc/43/86/34/590438634.db2.gz XTCKEEJVIMIQGZ-UHFFFAOYSA-N 1 2 209.274 1.626 20 0 BDADLO FC(F)Cn1ccnc1C[NH+]1CCCC1 ZINC000877934977 590451980 /nfs/dbraw/zinc/45/19/80/590451980.db2.gz NEIAYUNPRWAFRS-UHFFFAOYSA-N 1 2 215.247 1.744 20 0 BDADLO O=S1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878094082 590488362 /nfs/dbraw/zinc/48/83/62/590488362.db2.gz PILBICJQITVCGJ-NSHDSACASA-N 1 2 243.372 1.010 20 0 BDADLO C[N@H+](Cc1nc2c(o1)CCCC2)[C@@H]1CCOC1 ZINC000878083659 590488968 /nfs/dbraw/zinc/48/89/68/590488968.db2.gz CIVGDFRPVSLUGC-SNVBAGLBSA-N 1 2 236.315 1.774 20 0 BDADLO C[N@@H+](Cc1nc2c(o1)CCCC2)[C@@H]1CCOC1 ZINC000878083659 590488971 /nfs/dbraw/zinc/48/89/71/590488971.db2.gz CIVGDFRPVSLUGC-SNVBAGLBSA-N 1 2 236.315 1.774 20 0 BDADLO CCc1ccc(N2CC[NH+](CC(C)=O)CC2)cc1 ZINC000878148271 590506229 /nfs/dbraw/zinc/50/62/29/590506229.db2.gz FZQKFCOFRODWBX-UHFFFAOYSA-N 1 2 246.354 1.960 20 0 BDADLO FC(F)(F)OCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000878152653 590508246 /nfs/dbraw/zinc/50/82/46/590508246.db2.gz CPFRMWRQZWEGFX-DTORHVGOSA-N 1 2 239.237 1.776 20 0 BDADLO FC(F)(F)OCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000878152653 590508250 /nfs/dbraw/zinc/50/82/50/590508250.db2.gz CPFRMWRQZWEGFX-DTORHVGOSA-N 1 2 239.237 1.776 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000878166451 590512547 /nfs/dbraw/zinc/51/25/47/590512547.db2.gz VAPZCCHZZNOTDK-SNVBAGLBSA-N 1 2 237.303 1.243 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000878166451 590512549 /nfs/dbraw/zinc/51/25/49/590512549.db2.gz VAPZCCHZZNOTDK-SNVBAGLBSA-N 1 2 237.303 1.243 20 0 BDADLO C[N@H+](CCCOC(F)(F)F)Cc1nnc[nH]1 ZINC000878175958 590516177 /nfs/dbraw/zinc/51/61/77/590516177.db2.gz GMIFJRRZYDVSGG-UHFFFAOYSA-N 1 2 238.213 1.163 20 0 BDADLO C[N@@H+](CCCOC(F)(F)F)Cc1nnc[nH]1 ZINC000878175958 590516180 /nfs/dbraw/zinc/51/61/80/590516180.db2.gz GMIFJRRZYDVSGG-UHFFFAOYSA-N 1 2 238.213 1.163 20 0 BDADLO CCC(F)(F)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000878249225 590528021 /nfs/dbraw/zinc/52/80/21/590528021.db2.gz LIYULTADDNIJMO-UHFFFAOYSA-N 1 2 234.290 1.680 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878297757 590536620 /nfs/dbraw/zinc/53/66/20/590536620.db2.gz PAXAJHBRJOYVDD-VIFPVBQESA-N 1 2 224.304 1.366 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878297757 590536621 /nfs/dbraw/zinc/53/66/21/590536621.db2.gz PAXAJHBRJOYVDD-VIFPVBQESA-N 1 2 224.304 1.366 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCC2(CCC2)O1 ZINC000878315571 590541761 /nfs/dbraw/zinc/54/17/61/590541761.db2.gz RKEILIRONOXQBW-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCC2(CCC2)O1 ZINC000878315571 590541762 /nfs/dbraw/zinc/54/17/62/590541762.db2.gz RKEILIRONOXQBW-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO FC(F)Cn1ccnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000878316620 590542767 /nfs/dbraw/zinc/54/27/67/590542767.db2.gz KOPDAGMJCNHJKY-DTWKUNHWSA-N 1 2 227.258 1.742 20 0 BDADLO FC(F)Cn1ccnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000878316620 590542770 /nfs/dbraw/zinc/54/27/70/590542770.db2.gz KOPDAGMJCNHJKY-DTWKUNHWSA-N 1 2 227.258 1.742 20 0 BDADLO Cc1conc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000878331790 590548857 /nfs/dbraw/zinc/54/88/57/590548857.db2.gz YJOXQLGLABWHFK-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1conc1C[N@H+]1CCOC2(CCC2)C1 ZINC000878331790 590548859 /nfs/dbraw/zinc/54/88/59/590548859.db2.gz YJOXQLGLABWHFK-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000878383992 590557524 /nfs/dbraw/zinc/55/75/24/590557524.db2.gz XCQIYEDWAXTSCR-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000878383992 590557527 /nfs/dbraw/zinc/55/75/27/590557527.db2.gz XCQIYEDWAXTSCR-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000878466239 590573036 /nfs/dbraw/zinc/57/30/36/590573036.db2.gz IXROKGZRTVQQAC-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000878466239 590573037 /nfs/dbraw/zinc/57/30/37/590573037.db2.gz IXROKGZRTVQQAC-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000878492844 590579627 /nfs/dbraw/zinc/57/96/27/590579627.db2.gz SVCMVPVAHSDWPE-JBLDHEPKSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000878492844 590579629 /nfs/dbraw/zinc/57/96/29/590579629.db2.gz SVCMVPVAHSDWPE-JBLDHEPKSA-N 1 2 249.314 1.069 20 0 BDADLO CC1(C)CO[C@@H](C[NH2+][C@@]2(C)CCOC2=O)C1 ZINC000878632330 590598118 /nfs/dbraw/zinc/59/81/18/590598118.db2.gz PDSXMMLXEKBBFL-SKDRFNHKSA-N 1 2 227.304 1.097 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000878669469 590606729 /nfs/dbraw/zinc/60/67/29/590606729.db2.gz DJGQKYVQDXCWTI-MRVPVSSYSA-N 1 2 229.217 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000878669469 590606731 /nfs/dbraw/zinc/60/67/31/590606731.db2.gz DJGQKYVQDXCWTI-MRVPVSSYSA-N 1 2 229.217 1.734 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000878685598 590609162 /nfs/dbraw/zinc/60/91/62/590609162.db2.gz XEFMHBFMDZNJGA-NXEZZACHSA-N 1 2 239.306 1.341 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000878685598 590609163 /nfs/dbraw/zinc/60/91/63/590609163.db2.gz XEFMHBFMDZNJGA-NXEZZACHSA-N 1 2 239.306 1.341 20 0 BDADLO CC[C@@](COC)([NH2+]CCCC1CC1)C(=O)OC ZINC000878698359 590610334 /nfs/dbraw/zinc/61/03/34/590610334.db2.gz QZYHTRPURJCUNQ-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878718596 590614944 /nfs/dbraw/zinc/61/49/44/590614944.db2.gz VGUDFDKCAWIXRR-KXUCPTDWSA-N 1 2 246.376 1.217 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878718596 590614946 /nfs/dbraw/zinc/61/49/46/590614946.db2.gz VGUDFDKCAWIXRR-KXUCPTDWSA-N 1 2 246.376 1.217 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC=C(Cl)C1)C1CC1 ZINC000878792790 590623805 /nfs/dbraw/zinc/62/38/05/590623805.db2.gz YNTVDEFGSGCROH-UHFFFAOYSA-N 1 2 228.723 1.436 20 0 BDADLO CN(C(=O)C[N@H+]1CCC=C(Cl)C1)C1CC1 ZINC000878792790 590623806 /nfs/dbraw/zinc/62/38/06/590623806.db2.gz YNTVDEFGSGCROH-UHFFFAOYSA-N 1 2 228.723 1.436 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000878915456 590649606 /nfs/dbraw/zinc/64/96/06/590649606.db2.gz VIENETHPQUHFMV-KXUCPTDWSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000878915456 590649608 /nfs/dbraw/zinc/64/96/08/590649608.db2.gz VIENETHPQUHFMV-KXUCPTDWSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCO1 ZINC000878968941 590663590 /nfs/dbraw/zinc/66/35/90/590663590.db2.gz GEWSMJGUDQSOGZ-CYDGBPFRSA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCO1 ZINC000878968941 590663592 /nfs/dbraw/zinc/66/35/92/590663592.db2.gz GEWSMJGUDQSOGZ-CYDGBPFRSA-N 1 2 241.331 1.249 20 0 BDADLO CC(C)CC1([NH2+]CC(=O)N=S(C)(C)=O)CC1 ZINC000878994685 590672565 /nfs/dbraw/zinc/67/25/65/590672565.db2.gz XSHLOSVTGSZJKS-UHFFFAOYSA-N 1 2 246.376 1.409 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000879066932 590690464 /nfs/dbraw/zinc/69/04/64/590690464.db2.gz RYKFMZSDEPCWSC-HTQZYQBOSA-N 1 2 219.231 1.137 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000879066932 590690465 /nfs/dbraw/zinc/69/04/65/590690465.db2.gz RYKFMZSDEPCWSC-HTQZYQBOSA-N 1 2 219.231 1.137 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](CF)C2)cc[nH+]1 ZINC000879070492 590691615 /nfs/dbraw/zinc/69/16/15/590691615.db2.gz KCBNTWKGJLNDBF-SNVBAGLBSA-N 1 2 237.278 1.635 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@H](O)C(C)C ZINC000879188437 590710732 /nfs/dbraw/zinc/71/07/32/590710732.db2.gz LHLZIAAYXVSTMB-LBPRGKRZSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@H](O)C(C)C ZINC000879188437 590710733 /nfs/dbraw/zinc/71/07/33/590710733.db2.gz LHLZIAAYXVSTMB-LBPRGKRZSA-N 1 2 225.336 1.557 20 0 BDADLO COC(CC[N@H+](C)Cc1cn[nH]c1C)OC ZINC000879188446 590710908 /nfs/dbraw/zinc/71/09/08/590710908.db2.gz LPVZFHQNOITCNJ-UHFFFAOYSA-N 1 2 227.308 1.159 20 0 BDADLO COC(CC[N@@H+](C)Cc1cn[nH]c1C)OC ZINC000879188446 590710910 /nfs/dbraw/zinc/71/09/10/590710910.db2.gz LPVZFHQNOITCNJ-UHFFFAOYSA-N 1 2 227.308 1.159 20 0 BDADLO Cc1n[nH]cc1CN(C)Cc1cn(C)c[nH+]1 ZINC000879188953 590711894 /nfs/dbraw/zinc/71/18/94/590711894.db2.gz UHWCBCVRFSVIKK-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1[nH]c(CN(C)OCC(F)(F)F)[nH+]c1C ZINC000879517423 590787138 /nfs/dbraw/zinc/78/71/38/590787138.db2.gz QUWCTOGEXAZXKG-UHFFFAOYSA-N 1 2 237.225 1.952 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1C[C@H](O)C1 ZINC000879526500 590789029 /nfs/dbraw/zinc/78/90/29/590789029.db2.gz NYCHANNAJDAXTE-XYPYZODXSA-N 1 2 249.314 1.591 20 0 BDADLO CCOC(COCc1[nH]cc[nH+]1)OCC ZINC000127911417 590842309 /nfs/dbraw/zinc/84/23/09/590842309.db2.gz DSQGBIWAHYALNR-UHFFFAOYSA-N 1 2 214.265 1.325 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@@H+](C/C=C\Cl)C[C@H]2C1 ZINC000879931507 590891013 /nfs/dbraw/zinc/89/10/13/590891013.db2.gz SSTKQSUWZINAJR-CVLTWBRKSA-N 1 2 249.763 1.105 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@H+](C/C=C\Cl)C[C@H]2C1 ZINC000879931507 590891016 /nfs/dbraw/zinc/89/10/16/590891016.db2.gz SSTKQSUWZINAJR-CVLTWBRKSA-N 1 2 249.763 1.105 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](O)CC ZINC000879982432 590904080 /nfs/dbraw/zinc/90/40/80/590904080.db2.gz HUUCBLPOEXUQKJ-QWRGUYRKSA-N 1 2 229.320 1.079 20 0 BDADLO COC(=O)[C@H](Cc1cncs1)[NH2+]C(C)C ZINC000879993179 590905434 /nfs/dbraw/zinc/90/54/34/590905434.db2.gz OZVVSMAXKJAZPL-VIFPVBQESA-N 1 2 228.317 1.225 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnon2)C1 ZINC000880003483 590906327 /nfs/dbraw/zinc/90/63/27/590906327.db2.gz HSQMYEQZOHMHNE-MRVPVSSYSA-N 1 2 235.209 1.844 20 0 BDADLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnon2)C1 ZINC000880003483 590906331 /nfs/dbraw/zinc/90/63/31/590906331.db2.gz HSQMYEQZOHMHNE-MRVPVSSYSA-N 1 2 235.209 1.844 20 0 BDADLO C[C@@H]1C[N@H+](CCF)CC[C@@H](C(F)(F)F)O1 ZINC000880060763 590914887 /nfs/dbraw/zinc/91/48/87/590914887.db2.gz UCKDISQFTPXPSS-SFYZADRCSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)CC[C@@H](C(F)(F)F)O1 ZINC000880060763 590914890 /nfs/dbraw/zinc/91/48/90/590914890.db2.gz UCKDISQFTPXPSS-SFYZADRCSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)COC2CC2)c2[nH+]ccn21 ZINC000880226724 590960980 /nfs/dbraw/zinc/96/09/80/590960980.db2.gz BQCFVBJSNKRXGA-WCBMZHEXSA-N 1 2 235.287 1.184 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](CF)C1)Nc1ccon1 ZINC000880234967 590966951 /nfs/dbraw/zinc/96/69/51/590966951.db2.gz MFDZZWFNHSWKHZ-VIFPVBQESA-N 1 2 241.266 1.295 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](CF)C1)Nc1ccon1 ZINC000880234967 590966954 /nfs/dbraw/zinc/96/69/54/590966954.db2.gz MFDZZWFNHSWKHZ-VIFPVBQESA-N 1 2 241.266 1.295 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccn2C)C1 ZINC000128293760 590968063 /nfs/dbraw/zinc/96/80/63/590968063.db2.gz QKPPAVRQEVTFFM-GFCCVEGCSA-N 1 2 249.358 1.673 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccn2C)C1 ZINC000128293760 590968065 /nfs/dbraw/zinc/96/80/65/590968065.db2.gz QKPPAVRQEVTFFM-GFCCVEGCSA-N 1 2 249.358 1.673 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(F)CC1 ZINC000880239799 590973258 /nfs/dbraw/zinc/97/32/58/590973258.db2.gz RHUJDQHMUFLRHW-UHFFFAOYSA-N 1 2 212.272 1.232 20 0 BDADLO COCc1noc([C@H](C)[NH+]2CCC(F)CC2)n1 ZINC000880240224 590973560 /nfs/dbraw/zinc/97/35/60/590973560.db2.gz QGNGXFLPKSPBEV-QMMMGPOBSA-N 1 2 243.282 1.711 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880298819 590992191 /nfs/dbraw/zinc/99/21/91/590992191.db2.gz KHKUHXLPNAXUTP-LLVKDONJSA-N 1 2 240.326 1.726 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@H](CF)C1 ZINC000880298819 590992194 /nfs/dbraw/zinc/99/21/94/590992194.db2.gz KHKUHXLPNAXUTP-LLVKDONJSA-N 1 2 240.326 1.726 20 0 BDADLO CO[C@]1(C(F)(F)F)CC[N@H+](CCF)C1 ZINC000880306130 590998788 /nfs/dbraw/zinc/99/87/88/590998788.db2.gz MDWBFRXUNMGFNE-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO CO[C@]1(C(F)(F)F)CC[N@@H+](CCF)C1 ZINC000880306130 590998790 /nfs/dbraw/zinc/99/87/90/590998790.db2.gz MDWBFRXUNMGFNE-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO c1n[nH]cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880366199 591012124 /nfs/dbraw/zinc/01/21/24/591012124.db2.gz ACCYHMVRCFUEJS-UHFFFAOYSA-N 1 2 229.287 1.369 20 0 BDADLO C[C@H]1c2sccc2CC[N@H+]1Cc1cn(C)nn1 ZINC000880376889 591016341 /nfs/dbraw/zinc/01/63/41/591016341.db2.gz KUOJIXRCYMQXBQ-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1cn(C)nn1 ZINC000880376889 591016343 /nfs/dbraw/zinc/01/63/43/591016343.db2.gz KUOJIXRCYMQXBQ-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880484650 591058832 /nfs/dbraw/zinc/05/88/32/591058832.db2.gz RUTGBQBSZFAVNX-JTQLQIEISA-N 1 2 237.303 1.001 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880484650 591058838 /nfs/dbraw/zinc/05/88/38/591058838.db2.gz RUTGBQBSZFAVNX-JTQLQIEISA-N 1 2 237.303 1.001 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CC=C[C@H]2CO)c(C)n1C ZINC000880486344 591060172 /nfs/dbraw/zinc/06/01/72/591060172.db2.gz QFMAHIYRXSFVSU-LBPRGKRZSA-N 1 2 248.326 1.057 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CC=C[C@H]2CO)c(C)n1C ZINC000880486344 591060175 /nfs/dbraw/zinc/06/01/75/591060175.db2.gz QFMAHIYRXSFVSU-LBPRGKRZSA-N 1 2 248.326 1.057 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2CC=C[C@H]2CO)o1 ZINC000880485824 591060300 /nfs/dbraw/zinc/06/03/00/591060300.db2.gz LGUGDLKJSGKYKK-JTQLQIEISA-N 1 2 236.315 1.705 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2CC=C[C@H]2CO)o1 ZINC000880485824 591060305 /nfs/dbraw/zinc/06/03/05/591060305.db2.gz LGUGDLKJSGKYKK-JTQLQIEISA-N 1 2 236.315 1.705 20 0 BDADLO Cc1ccccc1NC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880486885 591061325 /nfs/dbraw/zinc/06/13/25/591061325.db2.gz VUNOYMFQGGPCAZ-LBPRGKRZSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1ccccc1NC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880486885 591061328 /nfs/dbraw/zinc/06/13/28/591061328.db2.gz VUNOYMFQGGPCAZ-LBPRGKRZSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1cnc(C[N@@H+]2CC=C[C@@H]2CO)s1 ZINC000880488447 591062586 /nfs/dbraw/zinc/06/25/86/591062586.db2.gz FRCUXJRQMMKFIZ-SECBINFHSA-N 1 2 210.302 1.184 20 0 BDADLO Cc1cnc(C[N@H+]2CC=C[C@@H]2CO)s1 ZINC000880488447 591062590 /nfs/dbraw/zinc/06/25/90/591062590.db2.gz FRCUXJRQMMKFIZ-SECBINFHSA-N 1 2 210.302 1.184 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2ncncc2C1 ZINC000880595071 591105212 /nfs/dbraw/zinc/10/52/12/591105212.db2.gz KXYHBTBEMZLMJG-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2ncncc2C1 ZINC000880595071 591105216 /nfs/dbraw/zinc/10/52/16/591105216.db2.gz KXYHBTBEMZLMJG-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCc2ncncc2C1 ZINC000880593127 591105663 /nfs/dbraw/zinc/10/56/63/591105663.db2.gz NWPOYYADYSQAGN-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCc2ncncc2C1 ZINC000880593127 591105667 /nfs/dbraw/zinc/10/56/67/591105667.db2.gz NWPOYYADYSQAGN-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO FC(F)OCC[N@@H+]1CCc2ncncc2C1 ZINC000880597237 591106978 /nfs/dbraw/zinc/10/69/78/591106978.db2.gz ANUHIUAFJLCWMV-UHFFFAOYSA-N 1 2 229.230 1.074 20 0 BDADLO FC(F)OCC[N@H+]1CCc2ncncc2C1 ZINC000880597237 591106981 /nfs/dbraw/zinc/10/69/81/591106981.db2.gz ANUHIUAFJLCWMV-UHFFFAOYSA-N 1 2 229.230 1.074 20 0 BDADLO c1ncc2c(n1)CC[N@@H+](CCOCC1CCC1)C2 ZINC000880597833 591107018 /nfs/dbraw/zinc/10/70/18/591107018.db2.gz GEJFHUPLKTXIFH-UHFFFAOYSA-N 1 2 247.342 1.651 20 0 BDADLO c1ncc2c(n1)CC[N@H+](CCOCC1CCC1)C2 ZINC000880597833 591107022 /nfs/dbraw/zinc/10/70/22/591107022.db2.gz GEJFHUPLKTXIFH-UHFFFAOYSA-N 1 2 247.342 1.651 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCc3ncncc3C2)[nH]1 ZINC000880598356 591108228 /nfs/dbraw/zinc/10/82/28/591108228.db2.gz OOBXEAOKNVZBLC-QMMMGPOBSA-N 1 2 244.302 1.022 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCc3ncncc3C2)[nH]1 ZINC000880598356 591108231 /nfs/dbraw/zinc/10/82/31/591108231.db2.gz OOBXEAOKNVZBLC-QMMMGPOBSA-N 1 2 244.302 1.022 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC3CSC3)ccn12 ZINC000880727453 591128669 /nfs/dbraw/zinc/12/86/69/591128669.db2.gz NMPNBLNTZTXBKQ-UHFFFAOYSA-N 1 2 247.323 1.488 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NC1CSC1 ZINC000880738301 591136093 /nfs/dbraw/zinc/13/60/93/591136093.db2.gz FAUAAXKBNCZKPM-UHFFFAOYSA-N 1 2 247.323 1.108 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)NC3CCC3)cc2C1 ZINC000880814024 591143789 /nfs/dbraw/zinc/14/37/89/591143789.db2.gz FHXYDZTYVRYWMJ-UHFFFAOYSA-N 1 2 249.318 1.003 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)NC3CCC3)cc2C1 ZINC000880814024 591143792 /nfs/dbraw/zinc/14/37/92/591143792.db2.gz FHXYDZTYVRYWMJ-UHFFFAOYSA-N 1 2 249.318 1.003 20 0 BDADLO O[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000211349250 591160961 /nfs/dbraw/zinc/16/09/61/591160961.db2.gz TVPGYMRWIZHETK-RXLGXGPVSA-N 1 2 210.104 1.762 20 0 BDADLO O[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211349250 591160964 /nfs/dbraw/zinc/16/09/64/591160964.db2.gz TVPGYMRWIZHETK-RXLGXGPVSA-N 1 2 210.104 1.762 20 0 BDADLO CCCC(=O)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000881289906 591181074 /nfs/dbraw/zinc/18/10/74/591181074.db2.gz OLLRUHVOISBANX-UHFFFAOYSA-N 1 2 233.275 1.043 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000881493502 591216800 /nfs/dbraw/zinc/21/68/00/591216800.db2.gz RRYQPVMNMOYDBM-VXGBXAGGSA-N 1 2 245.326 1.528 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000881564286 591239903 /nfs/dbraw/zinc/23/99/03/591239903.db2.gz QGVJHQCCCWTQQT-VSQXVHSFSA-N 1 2 245.326 1.694 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H](CF)C1 ZINC000881673969 591264199 /nfs/dbraw/zinc/26/41/99/591264199.db2.gz MIKARNVPIZCXNY-SECBINFHSA-N 1 2 225.267 1.160 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H](CF)C1 ZINC000881673970 591264357 /nfs/dbraw/zinc/26/43/57/591264357.db2.gz MIKARNVPIZCXNY-VIFPVBQESA-N 1 2 225.267 1.160 20 0 BDADLO C[C@H](CC(=O)N1CC[C@H](CF)C1)n1cc[nH+]c1 ZINC000881676106 591265041 /nfs/dbraw/zinc/26/50/41/591265041.db2.gz FXQHKQLBPNLAHF-GHMZBOCLSA-N 1 2 239.294 1.652 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CF)C1 ZINC000881676643 591265429 /nfs/dbraw/zinc/26/54/29/591265429.db2.gz IXXHNIZNGDAVAY-NXEZZACHSA-N 1 2 239.294 1.406 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CF)C1 ZINC000881676643 591265430 /nfs/dbraw/zinc/26/54/30/591265430.db2.gz IXXHNIZNGDAVAY-NXEZZACHSA-N 1 2 239.294 1.406 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)Cn2cccn2)c1C ZINC000881802569 591271927 /nfs/dbraw/zinc/27/19/27/591271927.db2.gz CIMRVOLNHPQZTC-SECBINFHSA-N 1 2 231.303 1.791 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)CN2CCCC2=O)c1C ZINC000881830235 591273636 /nfs/dbraw/zinc/27/36/36/591273636.db2.gz XPXZPBUAIAVDEE-VIFPVBQESA-N 1 2 248.330 1.516 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)CC(C)C)c1C ZINC000881866804 591275981 /nfs/dbraw/zinc/27/59/81/591275981.db2.gz YPKCZRMAQFUAER-NSHDSACASA-N 1 2 223.320 1.912 20 0 BDADLO Cc1[nH+]cnc(N(C)CC(C)(C)O)c1C ZINC000881983597 591285466 /nfs/dbraw/zinc/28/54/66/591285466.db2.gz IXWDUYAUXVGWBC-UHFFFAOYSA-N 1 2 209.293 1.301 20 0 BDADLO CC[C@H](CCO)CNc1nc[nH+]c(C)c1C ZINC000882078481 591294581 /nfs/dbraw/zinc/29/45/81/591294581.db2.gz XCDSZNPNCYNKLU-LLVKDONJSA-N 1 2 223.320 1.914 20 0 BDADLO COC(C)(C)CN(C)c1nc[nH+]c(C)c1C ZINC000882084348 591295396 /nfs/dbraw/zinc/29/53/96/591295396.db2.gz OXCYUZXFSHDUSO-UHFFFAOYSA-N 1 2 223.320 1.955 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@H](C)[S@](C)=O)c1C ZINC000882107477 591299165 /nfs/dbraw/zinc/29/91/65/591299165.db2.gz WLMJVDTUJVZEEV-BCTVWOGZSA-N 1 2 241.360 1.662 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)c2cccnc2)c1C ZINC000882117027 591300560 /nfs/dbraw/zinc/30/05/60/591300560.db2.gz LDJULTHLWAEWEB-GFCCVEGCSA-N 1 2 244.298 1.634 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]([C@H]3CCOC3)C2)c1C ZINC000882125101 591301823 /nfs/dbraw/zinc/30/18/23/591301823.db2.gz MGPOPPJXYULGCM-OLZOCXBDSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH+]cnc(N(C)CC2(O)CCCC2)c1C ZINC000882127621 591302531 /nfs/dbraw/zinc/30/25/31/591302531.db2.gz KFYCELWPUGSJOW-UHFFFAOYSA-N 1 2 235.331 1.835 20 0 BDADLO CC(=O)OC1CCN(c2cc[nH+]cc2F)CC1 ZINC000882129462 591303044 /nfs/dbraw/zinc/30/30/44/591303044.db2.gz SCIRXMSQVAVSEA-UHFFFAOYSA-N 1 2 238.262 1.753 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)C[C@@H](C)O)c1C ZINC000882174584 591310900 /nfs/dbraw/zinc/31/09/00/591310900.db2.gz IKBRMEXZWBLLHP-JGVFFNPUSA-N 1 2 209.293 1.665 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCN(C)C(=O)C2)c1C ZINC000882236190 591319322 /nfs/dbraw/zinc/31/93/22/591319322.db2.gz BSGFVFDPEIZSKT-SNVBAGLBSA-N 1 2 234.303 1.126 20 0 BDADLO Cc1[nH+]c(C(C)C)ccc1CN1C(=O)COC1=O ZINC000882275811 591324511 /nfs/dbraw/zinc/32/45/11/591324511.db2.gz BJGNVSUIXBVRSK-UHFFFAOYSA-N 1 2 248.282 1.992 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@@H](C(F)F)C2)c1 ZINC000882317533 591330370 /nfs/dbraw/zinc/33/03/70/591330370.db2.gz IRNIXJMSCMISNP-SECBINFHSA-N 1 2 244.241 1.044 20 0 BDADLO Cc1[nH+]cnc(NCc2ccncn2)c1C ZINC000882367758 591339007 /nfs/dbraw/zinc/33/90/07/591339007.db2.gz QXAZZWSNFHEVPI-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO COCCC1(C)CN(c2nc[nH+]c(C)c2C)C1 ZINC000882380928 591339788 /nfs/dbraw/zinc/33/97/88/591339788.db2.gz LPFWPGUJUYPDJR-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1ncnc(N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000882389256 591341143 /nfs/dbraw/zinc/34/11/43/591341143.db2.gz DKEKMEFHPHMNOE-SECBINFHSA-N 1 2 217.276 1.990 20 0 BDADLO Cc1ncnc(NCc2c[nH+]cn2C)c1C ZINC000882384184 591341187 /nfs/dbraw/zinc/34/11/87/591341187.db2.gz IZRIIFYPDVDHKE-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CCn1cc[nH+]c1CNc1ncnc(C)c1C ZINC000882412290 591344725 /nfs/dbraw/zinc/34/47/25/591344725.db2.gz CYAJBTAZROGKRD-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCC1(CNc2nc[nH+]c(C)c2C)COC1 ZINC000882429201 591347590 /nfs/dbraw/zinc/34/75/90/591347590.db2.gz XJKLITRLNFSDAE-UHFFFAOYSA-N 1 2 221.304 1.932 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1C ZINC000882464579 591353279 /nfs/dbraw/zinc/35/32/79/591353279.db2.gz SGEKNUSJGYQBKG-XQQFMLRXSA-N 1 2 247.342 1.691 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCNC(=O)CC2)c1C ZINC000882462863 591353344 /nfs/dbraw/zinc/35/33/44/591353344.db2.gz WPJRZPOHXTXUGE-JTQLQIEISA-N 1 2 234.303 1.174 20 0 BDADLO Cc1[nH+]cnc(N[C@H](CO)CCF)c1C ZINC000882530728 591383642 /nfs/dbraw/zinc/38/36/42/591383642.db2.gz LBDBWJRMAWMMAZ-VIFPVBQESA-N 1 2 213.256 1.226 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)c2n[nH]c(=O)n2C)c1C ZINC000882542401 591388740 /nfs/dbraw/zinc/38/87/40/591388740.db2.gz UPMNUWMNNXRDFJ-QMMMGPOBSA-N 1 2 248.290 1.101 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC3(CCC3)O2)c[nH+]1 ZINC000882545000 591389710 /nfs/dbraw/zinc/38/97/10/591389710.db2.gz ZLETXRSIFQSUCB-JTQLQIEISA-N 1 2 249.314 1.550 20 0 BDADLO Cc1[nH+]cnc(NCCO[C@H]2CC2(F)F)c1C ZINC000882615587 591400451 /nfs/dbraw/zinc/40/04/51/591400451.db2.gz VLUALYYVPWYESQ-VIFPVBQESA-N 1 2 243.257 1.930 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H](C)[C@](C)(CO)C2)c1C ZINC000882636609 591404346 /nfs/dbraw/zinc/40/43/46/591404346.db2.gz XECIZFGUXNFVTI-RNCFNFMXSA-N 1 2 235.331 1.548 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1cc(CO)cc[nH+]1 ZINC000882707935 591416117 /nfs/dbraw/zinc/41/61/17/591416117.db2.gz INVSGFWNXLBGLD-MWLCHTKSSA-N 1 2 224.304 1.535 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2C=CCC2)c1 ZINC000882756225 591429751 /nfs/dbraw/zinc/42/97/51/591429751.db2.gz SIBMOFRWPKSJLK-JTQLQIEISA-N 1 2 204.273 1.952 20 0 BDADLO C[C@H](O)c1ccc(N2CCC[C@H](CO)C2)[nH+]c1 ZINC000213230553 591455669 /nfs/dbraw/zinc/45/56/69/591455669.db2.gz QTAVZVIUEUYUJO-QWRGUYRKSA-N 1 2 236.315 1.344 20 0 BDADLO C[C@H](O)c1ccc(N2CCC(CO)CC2)[nH+]c1 ZINC000213225955 591455787 /nfs/dbraw/zinc/45/57/87/591455787.db2.gz QCVJKLCTZNMHRF-JTQLQIEISA-N 1 2 236.315 1.344 20 0 BDADLO CC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000213283033 591460836 /nfs/dbraw/zinc/46/08/36/591460836.db2.gz OYGMIIPBLPMHTE-UHFFFAOYSA-N 1 2 219.288 1.036 20 0 BDADLO CO[C@@H]1COCC[C@@H]1N(C)c1cc[nH+]c(C)n1 ZINC000882939589 591478558 /nfs/dbraw/zinc/47/85/58/591478558.db2.gz BMSMCXWZGWNOLC-WDEREUQCSA-N 1 2 237.303 1.025 20 0 BDADLO CC(C)[C@H](O)CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000882990299 591498281 /nfs/dbraw/zinc/49/82/81/591498281.db2.gz FWIASPIVASXKCD-ZJUUUORDSA-N 1 2 230.308 1.071 20 0 BDADLO NC(CO)=[NH+]OCCOc1cccc(Cl)c1 ZINC000883009490 591509402 /nfs/dbraw/zinc/50/94/02/591509402.db2.gz JKHJSUIRTSJEFA-UHFFFAOYSA-N 1 2 244.678 1.210 20 0 BDADLO Cc1[nH+]cccc1Cn1cc2c(n1)CC[C@H](O)C2 ZINC000883008798 591509923 /nfs/dbraw/zinc/50/99/23/591509923.db2.gz NNVYRUFXNFTPLE-ZDUSSCGKSA-N 1 2 243.310 1.484 20 0 BDADLO NC(CO)=[NH+]OCc1ccc(C(F)F)cc1 ZINC000883011826 591510517 /nfs/dbraw/zinc/51/05/17/591510517.db2.gz KRQQSZDSAISBHS-UHFFFAOYSA-N 1 2 230.214 1.615 20 0 BDADLO NC(CO)=[NH+]OCc1ccc(CF)cc1 ZINC000883011819 591510926 /nfs/dbraw/zinc/51/09/26/591510926.db2.gz KEOKRASNTYPNFT-UHFFFAOYSA-N 1 2 212.224 1.147 20 0 BDADLO COc1cc(CO[NH+]=C(N)CO)ccc1Cl ZINC000883012535 591512106 /nfs/dbraw/zinc/51/21/06/591512106.db2.gz JUOAVDCYJJDXIX-UHFFFAOYSA-N 1 2 244.678 1.339 20 0 BDADLO CN(CCCO[NH+]=C(N)CO)c1ccccc1 ZINC000883012559 591512121 /nfs/dbraw/zinc/51/21/21/591512121.db2.gz KIXCPPISVQSXSY-UHFFFAOYSA-N 1 2 237.303 1.004 20 0 BDADLO NC(CO)=[NH+]OCCc1ccc(Cl)cc1 ZINC000883012438 591512576 /nfs/dbraw/zinc/51/25/76/591512576.db2.gz GIPRUENUKWTAFT-UHFFFAOYSA-N 1 2 228.679 1.373 20 0 BDADLO NC(CO)=[NH+]OCC1CCC(F)(F)CC1 ZINC000883012532 591513343 /nfs/dbraw/zinc/51/33/43/591513343.db2.gz JRCGRISARSZAON-UHFFFAOYSA-N 1 2 222.235 1.303 20 0 BDADLO C=C/C=C\CCNC(=O)NCCCn1cc[nH+]c1 ZINC000883035978 591522571 /nfs/dbraw/zinc/52/25/71/591522571.db2.gz WAAPAEHRANKUPB-ARJAWSKDSA-N 1 2 248.330 1.705 20 0 BDADLO CCn1cccc(C[NH2+]Cc2cc(C)on2)c1=O ZINC000883106145 591540903 /nfs/dbraw/zinc/54/09/03/591540903.db2.gz JMMZTELXNNUHMK-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO Cc1c(NCc2cn(C3CC3)c[nH+]2)nnn1C ZINC000883229784 591580036 /nfs/dbraw/zinc/58/00/36/591580036.db2.gz QVOARHOCIWHQQT-UHFFFAOYSA-N 1 2 232.291 1.267 20 0 BDADLO CC[NH+]1CC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883354092 591624737 /nfs/dbraw/zinc/62/47/37/591624737.db2.gz KOZOXNPXFWJGDI-IHRRRGAJSA-N 1 2 239.407 1.401 20 0 BDADLO CC[NH+]1CC[C@H]1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883354092 591624740 /nfs/dbraw/zinc/62/47/40/591624740.db2.gz KOZOXNPXFWJGDI-IHRRRGAJSA-N 1 2 239.407 1.401 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)nc1)C(F)F ZINC000883406890 591649498 /nfs/dbraw/zinc/64/94/98/591649498.db2.gz DPWMJLHIESOSQG-LURJTMIESA-N 1 2 204.195 1.964 20 0 BDADLO CCn1cc(C[N@H+](C)C[C@H]2CCCCO2)nn1 ZINC000883998573 591789311 /nfs/dbraw/zinc/78/93/11/591789311.db2.gz BDONPYYOAJMDGT-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1cc(C[N@@H+](C)C[C@H]2CCCCO2)nn1 ZINC000883998573 591789315 /nfs/dbraw/zinc/78/93/15/591789315.db2.gz BDONPYYOAJMDGT-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)nn1 ZINC000884003949 591791082 /nfs/dbraw/zinc/79/10/82/591791082.db2.gz WNEHYKJQQGYHSC-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO CCCNc1cc(N[C@H]2CCCOC2)nc[nH+]1 ZINC000133433417 591792302 /nfs/dbraw/zinc/79/23/02/591792302.db2.gz GEDUBDRRJVQJNZ-JTQLQIEISA-N 1 2 236.319 1.889 20 0 BDADLO CCCNc1cc(N[C@H]2CCCOC2)[nH+]cn1 ZINC000133433417 591792304 /nfs/dbraw/zinc/79/23/04/591792304.db2.gz GEDUBDRRJVQJNZ-JTQLQIEISA-N 1 2 236.319 1.889 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)c2ccco2)CCO1 ZINC000800087341 591820132 /nfs/dbraw/zinc/82/01/32/591820132.db2.gz GTRYFQNZXZBUCH-JTQLQIEISA-N 1 2 239.271 1.157 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)c2ccco2)CCO1 ZINC000800087341 591820135 /nfs/dbraw/zinc/82/01/35/591820135.db2.gz GTRYFQNZXZBUCH-JTQLQIEISA-N 1 2 239.271 1.157 20 0 BDADLO CCC(C)(C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800159607 591829458 /nfs/dbraw/zinc/82/94/58/591829458.db2.gz SSQDYAHTJITUKQ-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCC(C)(C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800159607 591829456 /nfs/dbraw/zinc/82/94/56/591829456.db2.gz SSQDYAHTJITUKQ-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C2(C)CCC2)CCO1 ZINC000800179048 591832260 /nfs/dbraw/zinc/83/22/60/591832260.db2.gz HZJWCSHPNHGCKU-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C2(C)CCC2)CCO1 ZINC000800179048 591832264 /nfs/dbraw/zinc/83/22/64/591832264.db2.gz HZJWCSHPNHGCKU-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C=C2CCC2)CCO1 ZINC000800180997 591834004 /nfs/dbraw/zinc/83/40/04/591834004.db2.gz CUDOMLRXXNHBFS-LLVKDONJSA-N 1 2 239.315 1.361 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C=C2CCC2)CCO1 ZINC000800180997 591834007 /nfs/dbraw/zinc/83/40/07/591834007.db2.gz CUDOMLRXXNHBFS-LLVKDONJSA-N 1 2 239.315 1.361 20 0 BDADLO CCc1nc(N2CCC[C@H](F)C2)cc[nH+]1 ZINC000884496301 591957105 /nfs/dbraw/zinc/95/71/05/591957105.db2.gz SCAWRNKFNDFGQC-VIFPVBQESA-N 1 2 209.268 1.977 20 0 BDADLO CCOC1CN(c2cc[nH+]c(CC)n2)C1 ZINC000884517882 591964063 /nfs/dbraw/zinc/96/40/63/591964063.db2.gz YMBJAYXVKYWTRC-UHFFFAOYSA-N 1 2 207.277 1.264 20 0 BDADLO CCc1nc(NCc2ccc(=O)[nH]n2)cc[nH+]1 ZINC000884518129 591964087 /nfs/dbraw/zinc/96/40/87/591964087.db2.gz GJJWJRYJTPRHFH-UHFFFAOYSA-N 1 2 231.259 1.147 20 0 BDADLO CCc1nc(N2CC[C@@H](CCCO)C2)cc[nH+]1 ZINC000884525264 591965489 /nfs/dbraw/zinc/96/54/89/591965489.db2.gz QMODVWDFXFKLEE-LLVKDONJSA-N 1 2 235.331 1.638 20 0 BDADLO CCc1nc(N2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000884533800 591969339 /nfs/dbraw/zinc/96/93/39/591969339.db2.gz RETSHSYVNGPOCE-UHFFFAOYSA-N 1 2 246.314 1.055 20 0 BDADLO CCc1nc(N2C[C@H](C)C[C@@H](CO)C2)cc[nH+]1 ZINC000884533310 591969349 /nfs/dbraw/zinc/96/93/49/591969349.db2.gz FCCXZENKMMTQFN-GHMZBOCLSA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N[C@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000884543387 591972335 /nfs/dbraw/zinc/97/23/35/591972335.db2.gz CPADNDATIVAMBM-DTWKUNHWSA-N 1 2 207.277 1.628 20 0 BDADLO CCc1nc(N2CC[C@H](O)C(F)(F)C2)cc[nH+]1 ZINC000884555560 591977288 /nfs/dbraw/zinc/97/72/88/591977288.db2.gz UNONQFQHNPKUDM-QMMMGPOBSA-N 1 2 243.257 1.245 20 0 BDADLO CCc1nc(N2C[C@H]3COC[C@@]3(C)C2)cc[nH+]1 ZINC000884556981 591978301 /nfs/dbraw/zinc/97/83/01/591978301.db2.gz DWIBIJAAKKEULY-GXFFZTMASA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N2CC[C@@H]3C[C@@H]3C2)cc[nH+]1 ZINC000884559406 591978932 /nfs/dbraw/zinc/97/89/32/591978932.db2.gz UEHLYNAWWMDXRT-NXEZZACHSA-N 1 2 203.289 1.885 20 0 BDADLO CCc1nc(NC[C@H](CO)CC2CC2)cc[nH+]1 ZINC000884558435 591979043 /nfs/dbraw/zinc/97/90/43/591979043.db2.gz SVLJYJYTCHWJEH-LLVKDONJSA-N 1 2 235.331 1.860 20 0 BDADLO CCc1nc(N2CC(COC)(C3CC3)C2)cc[nH+]1 ZINC000884570643 591984058 /nfs/dbraw/zinc/98/40/58/591984058.db2.gz UMEUKEDUCDJNQL-UHFFFAOYSA-N 1 2 247.342 1.902 20 0 BDADLO CCc1nc(N2CCS[C@H](C)C2)cc[nH+]1 ZINC000884574493 591984317 /nfs/dbraw/zinc/98/43/17/591984317.db2.gz MSIYOSYEMXKRDL-SECBINFHSA-N 1 2 223.345 1.981 20 0 BDADLO CCc1nc(N[C@H](C)[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000884571672 591984585 /nfs/dbraw/zinc/98/45/85/591984585.db2.gz VMVSAYZUAIXRIV-MUWHJKNJSA-N 1 2 249.236 1.763 20 0 BDADLO CCc1nc(N[C@@H](C)c2ccnn2C)cc[nH+]1 ZINC000884574863 591985076 /nfs/dbraw/zinc/98/50/76/591985076.db2.gz VYFCXQSPKXAGFI-VIFPVBQESA-N 1 2 231.303 1.946 20 0 BDADLO c1nc(N2C[C@@H]3C[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000884591104 591989975 /nfs/dbraw/zinc/98/99/75/591989975.db2.gz LNROMPKYJBLMOM-DTORHVGOSA-N 1 2 216.288 1.507 20 0 BDADLO c1nc(NC2CC2)cc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884591104 591989977 /nfs/dbraw/zinc/98/99/77/591989977.db2.gz LNROMPKYJBLMOM-DTORHVGOSA-N 1 2 216.288 1.507 20 0 BDADLO COC(=O)N[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000884770824 592017523 /nfs/dbraw/zinc/01/75/23/592017523.db2.gz MTMPWTFTVDZQRX-QMMMGPOBSA-N 1 2 239.250 1.155 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@]12C[C@H]1CCC2 ZINC000885997638 592125695 /nfs/dbraw/zinc/12/56/95/592125695.db2.gz XOPKQUJEDLXAFW-MFKMUULPSA-N 1 2 233.315 1.649 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@]12C[C@H]1CCC2 ZINC000885997638 592125698 /nfs/dbraw/zinc/12/56/98/592125698.db2.gz XOPKQUJEDLXAFW-MFKMUULPSA-N 1 2 233.315 1.649 20 0 BDADLO Cc1coc(C[NH2+]Cc2cc(C)ncn2)c1 ZINC000886047056 592139802 /nfs/dbraw/zinc/13/98/02/592139802.db2.gz VECZOWPQBSVPIU-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000889316191 592150222 /nfs/dbraw/zinc/15/02/22/592150222.db2.gz ZSFLROXGAYULFB-PRTUSXBOSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1coc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000886129528 592160054 /nfs/dbraw/zinc/16/00/54/592160054.db2.gz HVHCDQQGBPHRCI-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000886177206 592170255 /nfs/dbraw/zinc/17/02/55/592170255.db2.gz WUSKIJMVXUTJIW-GFCCVEGCSA-N 1 2 231.303 1.778 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000886177206 592170256 /nfs/dbraw/zinc/17/02/56/592170256.db2.gz WUSKIJMVXUTJIW-GFCCVEGCSA-N 1 2 231.303 1.778 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886181484 592170816 /nfs/dbraw/zinc/17/08/16/592170816.db2.gz MTWJNCLNSABCMF-JLLWLGSASA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886181484 592170817 /nfs/dbraw/zinc/17/08/17/592170817.db2.gz MTWJNCLNSABCMF-JLLWLGSASA-N 1 2 241.331 1.437 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2nonc2C)c1C ZINC000886184301 592171695 /nfs/dbraw/zinc/17/16/95/592171695.db2.gz YSKXEEXUMZZURD-UHFFFAOYSA-N 1 2 221.264 1.008 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000886247148 592185541 /nfs/dbraw/zinc/18/55/41/592185541.db2.gz IWFIVQQILAMJON-JTQLQIEISA-N 1 2 246.318 1.134 20 0 BDADLO Cn1c[nH+]c(CNCc2cc(C3CC3)no2)c1 ZINC000886270767 592191782 /nfs/dbraw/zinc/19/17/82/592191782.db2.gz MFYDFPHRACVISG-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000886270767 592191783 /nfs/dbraw/zinc/19/17/83/592191783.db2.gz MFYDFPHRACVISG-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncco2)n(C)n1 ZINC000886272288 592192721 /nfs/dbraw/zinc/19/27/21/592192721.db2.gz LVFWESWMBAWMKF-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ncco2)C1 ZINC000886274579 592194275 /nfs/dbraw/zinc/19/42/75/592194275.db2.gz WPCUTDWCFSGWRJ-WDEREUQCSA-N 1 2 239.319 1.046 20 0 BDADLO COCCN1CC[C@@H]([NH2+][C@H](C)c2ncco2)C1 ZINC000886274576 592194615 /nfs/dbraw/zinc/19/46/15/592194615.db2.gz WPCUTDWCFSGWRJ-GHMZBOCLSA-N 1 2 239.319 1.046 20 0 BDADLO c1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)nn1-c1ccccc1 ZINC000886346942 592213450 /nfs/dbraw/zinc/21/34/50/592213450.db2.gz VJAVREMKKLEHNH-TXEJJXNPSA-N 1 2 240.310 1.719 20 0 BDADLO c1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)nn1-c1ccccc1 ZINC000886346942 592213451 /nfs/dbraw/zinc/21/34/51/592213451.db2.gz VJAVREMKKLEHNH-TXEJJXNPSA-N 1 2 240.310 1.719 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890267810 592223901 /nfs/dbraw/zinc/22/39/01/592223901.db2.gz HLSUJVRMXKEPMC-AOOOYVTPSA-N 1 2 219.288 1.211 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ncco1 ZINC000886530999 592247604 /nfs/dbraw/zinc/24/76/04/592247604.db2.gz UYUGJRKTDLNAJB-RKDXNWHRSA-N 1 2 222.244 1.652 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687921 592303349 /nfs/dbraw/zinc/30/33/49/592303349.db2.gz HHBHRGIBNJLCOT-SNVBAGLBSA-N 1 2 245.286 1.239 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687921 592303355 /nfs/dbraw/zinc/30/33/55/592303355.db2.gz HHBHRGIBNJLCOT-SNVBAGLBSA-N 1 2 245.286 1.239 20 0 BDADLO C[C@@H](N[C@H](CCO)C(F)(F)F)c1[nH]cc[nH+]1 ZINC000886801441 592332143 /nfs/dbraw/zinc/33/21/43/592332143.db2.gz NLLPUNBOUIJJME-RNFRBKRXSA-N 1 2 237.225 1.374 20 0 BDADLO CCOC(=O)[C@H](CCCC(C)C)[NH2+]CCO ZINC000886935391 592396798 /nfs/dbraw/zinc/39/67/98/592396798.db2.gz IIBSBCXRBFFHSL-NSHDSACASA-N 1 2 231.336 1.326 20 0 BDADLO CCOC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCCF ZINC000886962723 592402433 /nfs/dbraw/zinc/40/24/33/592402433.db2.gz CRZFVAXFFNRBKW-WDEREUQCSA-N 1 2 247.310 1.436 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000887032946 592426126 /nfs/dbraw/zinc/42/61/26/592426126.db2.gz BXXXEOKOQFKEDU-IMSIIYSGSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000887032946 592426127 /nfs/dbraw/zinc/42/61/27/592426127.db2.gz BXXXEOKOQFKEDU-IMSIIYSGSA-N 1 2 245.326 1.573 20 0 BDADLO C[C@@H](Nc1ncnc2c1CCC2)c1[nH]cc[nH+]1 ZINC000139874875 592434980 /nfs/dbraw/zinc/43/49/80/592434980.db2.gz VOBOTMPPBFFZKZ-MRVPVSSYSA-N 1 2 229.287 1.862 20 0 BDADLO Cc1[nH]c(C(=O)NC2([C@H]3CCCCO3)CC2)c[nH+]1 ZINC000887094172 592440514 /nfs/dbraw/zinc/44/05/14/592440514.db2.gz FJVISCZWMINEAE-LLVKDONJSA-N 1 2 249.314 1.550 20 0 BDADLO CC(=O)NCCC[N@H+](CC(F)F)C1CCC1 ZINC000887098870 592441159 /nfs/dbraw/zinc/44/11/59/592441159.db2.gz FOAABIMTRWBILV-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO CC(=O)NCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887098870 592441163 /nfs/dbraw/zinc/44/11/63/592441163.db2.gz FOAABIMTRWBILV-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO O=C1CC[C@@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102137 592442853 /nfs/dbraw/zinc/44/28/53/592442853.db2.gz DMULGHMTYHTROQ-VIFPVBQESA-N 1 2 233.258 1.812 20 0 BDADLO O=C1CC[C@@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102137 592442857 /nfs/dbraw/zinc/44/28/57/592442857.db2.gz DMULGHMTYHTROQ-VIFPVBQESA-N 1 2 233.258 1.812 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CCCF)n1 ZINC000887137479 592451260 /nfs/dbraw/zinc/45/12/60/592451260.db2.gz JKGHNUUGDKIPBN-MRVPVSSYSA-N 1 2 215.272 1.984 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CCCF)n1 ZINC000887137479 592451272 /nfs/dbraw/zinc/45/12/72/592451272.db2.gz JKGHNUUGDKIPBN-MRVPVSSYSA-N 1 2 215.272 1.984 20 0 BDADLO COCc1noc([C@@H](C)[N@H+](C)CCCF)n1 ZINC000887141513 592457057 /nfs/dbraw/zinc/45/70/57/592457057.db2.gz XIBLPWLOWSSBHF-MRVPVSSYSA-N 1 2 231.271 1.568 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+](C)CCCF)n1 ZINC000887141513 592457064 /nfs/dbraw/zinc/45/70/64/592457064.db2.gz XIBLPWLOWSSBHF-MRVPVSSYSA-N 1 2 231.271 1.568 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCF)[nH]1 ZINC000887141550 592457801 /nfs/dbraw/zinc/45/78/01/592457801.db2.gz ZKQFCZLDKNUNTE-UHFFFAOYSA-N 1 2 200.261 1.159 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCF)[nH]1 ZINC000887141550 592457805 /nfs/dbraw/zinc/45/78/05/592457805.db2.gz ZKQFCZLDKNUNTE-UHFFFAOYSA-N 1 2 200.261 1.159 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000887477770 592512802 /nfs/dbraw/zinc/51/28/02/592512802.db2.gz ZHPWHEWTWNDNAN-GHMZBOCLSA-N 1 2 249.314 1.026 20 0 BDADLO C=C=CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000887917722 592558889 /nfs/dbraw/zinc/55/88/89/592558889.db2.gz OUNLEXLLYARCRQ-UHFFFAOYSA-N 1 2 246.314 1.919 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000889225197 592590234 /nfs/dbraw/zinc/59/02/34/592590234.db2.gz KNWJVSIKFZJSFF-UWVGGRQHSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@H]1CSCCCN1C(=O)Cn1cc[nH+]c1 ZINC000889917753 592661778 /nfs/dbraw/zinc/66/17/78/592661778.db2.gz KPDJBBVIICSKKX-JTQLQIEISA-N 1 2 239.344 1.237 20 0 BDADLO Cc1ccoc1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890103561 592679223 /nfs/dbraw/zinc/67/92/23/592679223.db2.gz MYQFOBPSMAMWDT-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO Cc1cnc(F)c(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890099791 592679425 /nfs/dbraw/zinc/67/94/25/592679425.db2.gz KBQDKIADJNSBRT-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CC[C@@H](CC(F)F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104865 592679791 /nfs/dbraw/zinc/67/97/91/592679791.db2.gz RTFGGKOQTBRDLD-QMMMGPOBSA-N 1 2 245.273 1.718 20 0 BDADLO CCC(C)(C)OCC(=O)NCc1cn(C)c[nH+]1 ZINC000890105207 592680912 /nfs/dbraw/zinc/68/09/12/592680912.db2.gz ZELUPOOFEZMXGK-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)ns1 ZINC000890106748 592681242 /nfs/dbraw/zinc/68/12/42/592681242.db2.gz CWDNOIKPGHYECV-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107084 592681564 /nfs/dbraw/zinc/68/15/64/592681564.db2.gz HUXYXUSCVBJNDJ-CMPLNLGQSA-N 1 2 235.331 1.863 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107086 592681956 /nfs/dbraw/zinc/68/19/56/592681956.db2.gz HUXYXUSCVBJNDJ-PWSUYJOCSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)C(F)(F)F ZINC000890110428 592684190 /nfs/dbraw/zinc/68/41/90/592684190.db2.gz PAPMUTPJDVGTHP-LURJTMIESA-N 1 2 235.209 1.235 20 0 BDADLO CCC[C@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890114652 592685474 /nfs/dbraw/zinc/68/54/74/592685474.db2.gz TXWRDVDFDPHCDT-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO CCCCSCC(=O)NCc1cn(C)c[nH+]1 ZINC000890116899 592685825 /nfs/dbraw/zinc/68/58/25/592685825.db2.gz HJOPMXZZXJTGKL-UHFFFAOYSA-N 1 2 241.360 1.570 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2ccncc2)c1 ZINC000890117485 592685885 /nfs/dbraw/zinc/68/58/85/592685885.db2.gz SDLQMKKCCKCRQG-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC=CCC2)c1 ZINC000890117714 592685915 /nfs/dbraw/zinc/68/59/15/592685915.db2.gz SEEATIQEFUKQSD-SNVBAGLBSA-N 1 2 219.288 1.393 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000035387676 601800905 /nfs/dbraw/zinc/80/09/05/601800905.db2.gz DEGKKHIZRRYRSA-JTQLQIEISA-N 1 2 245.282 1.435 20 0 BDADLO O=C([O-])[C@@H]1CC12CC[NH+](CCn1cc[nH+]c1)CC2 ZINC000405409345 605141430 /nfs/dbraw/zinc/14/14/30/605141430.db2.gz VYWNIFQZPKXVKU-NSHDSACASA-N 1 2 249.314 1.070 20 0 BDADLO CSC1(CNc2cc(N(C)C)nc[nH+]2)CC1 ZINC000893560131 635160502 /nfs/dbraw/zinc/16/05/02/635160502.db2.gz VWZAOWGBDVRCDP-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CSC1(CNc2cc(N(C)C)[nH+]cn2)CC1 ZINC000893560131 635160504 /nfs/dbraw/zinc/16/05/04/635160504.db2.gz VWZAOWGBDVRCDP-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CCC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001009822056 634593178 /nfs/dbraw/zinc/59/31/78/634593178.db2.gz GUGPSYDRAPEAGW-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001009822056 634593182 /nfs/dbraw/zinc/59/31/82/634593182.db2.gz GUGPSYDRAPEAGW-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)CCC(=O)OCC ZINC000178560169 635453489 /nfs/dbraw/zinc/45/34/89/635453489.db2.gz XVHFGWUYJVMPOP-SNVBAGLBSA-N 1 2 245.319 1.213 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCC(=O)OCC ZINC000178560169 635453492 /nfs/dbraw/zinc/45/34/92/635453492.db2.gz XVHFGWUYJVMPOP-SNVBAGLBSA-N 1 2 245.319 1.213 20 0 BDADLO CCCNc1cc(N[C@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000228275189 635458736 /nfs/dbraw/zinc/45/87/36/635458736.db2.gz GOLDYBQGVAWITI-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@H](C)C[C@@H](C)O)[nH+]cn1 ZINC000228275189 635458739 /nfs/dbraw/zinc/45/87/39/635458739.db2.gz GOLDYBQGVAWITI-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO Cc1cncc(C[NH+]2CC(O)(C(C)C)C2)c1 ZINC000228634446 635463728 /nfs/dbraw/zinc/46/37/28/635463728.db2.gz NZHMBOHFTNQKLX-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO CCCNc1cc(NC[C@H](O)CC)nc[nH+]1 ZINC000230058236 635480064 /nfs/dbraw/zinc/48/00/64/635480064.db2.gz SLZIKNZPKHVRJI-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(NC[C@H](O)CC)[nH+]cn1 ZINC000230058236 635480083 /nfs/dbraw/zinc/48/00/83/635480083.db2.gz SLZIKNZPKHVRJI-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CN(C)c1ccc(NCc2cn(C)cn2)c[nH+]1 ZINC000310307597 635588036 /nfs/dbraw/zinc/58/80/36/635588036.db2.gz CYXQXMCWJZFYIC-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CCc1cc(N2CCC[C@H](CO)C2)nc(CC)[nH+]1 ZINC000891437433 631253632 /nfs/dbraw/zinc/25/36/32/631253632.db2.gz XBGUJIKZTZEUOD-NSHDSACASA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1CC(C)(C)C1 ZINC000395233606 631315561 /nfs/dbraw/zinc/31/55/61/631315561.db2.gz VTZMZNWPFMQOLF-UHFFFAOYSA-N 1 2 231.303 1.964 20 0 BDADLO Cc1cc(NC(=O)CCCn2cncn2)cc[nH+]1 ZINC000077323929 631320925 /nfs/dbraw/zinc/32/09/25/631320925.db2.gz ZZWSTJNWSLJJBC-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308421497 631329510 /nfs/dbraw/zinc/32/95/10/631329510.db2.gz OOVALAXQJVSKLY-KXUCPTDWSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000891695784 631451768 /nfs/dbraw/zinc/45/17/68/631451768.db2.gz CLFYHVZOOCXGKP-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000891695784 631451774 /nfs/dbraw/zinc/45/17/74/631451774.db2.gz CLFYHVZOOCXGKP-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO CCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000087806353 631481836 /nfs/dbraw/zinc/48/18/36/631481836.db2.gz COWWTIXYEIOTBV-UHFFFAOYSA-N 1 2 238.360 1.852 20 0 BDADLO CCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000087806353 631481841 /nfs/dbraw/zinc/48/18/41/631481841.db2.gz COWWTIXYEIOTBV-UHFFFAOYSA-N 1 2 238.360 1.852 20 0 BDADLO O=C(N[C@H]1CCSC1)c1cc2c[nH+]ccc2[nH]1 ZINC000933684750 631487876 /nfs/dbraw/zinc/48/78/76/631487876.db2.gz PIVDMEVICAGIKY-VIFPVBQESA-N 1 2 247.323 1.798 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H]2CO)c(Cl)n1 ZINC000934011107 631587919 /nfs/dbraw/zinc/58/79/19/631587919.db2.gz JKZPILDKUFRWPE-JTQLQIEISA-N 1 2 226.707 1.610 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H]2CO)c(Cl)n1 ZINC000934011107 631587926 /nfs/dbraw/zinc/58/79/26/631587926.db2.gz JKZPILDKUFRWPE-JTQLQIEISA-N 1 2 226.707 1.610 20 0 BDADLO Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CO)c1F ZINC000934017111 631614201 /nfs/dbraw/zinc/61/42/01/631614201.db2.gz YQJYIEZDFOYLOB-VIFPVBQESA-N 1 2 227.254 1.840 20 0 BDADLO Cc1ccc(F)c(C[N@H+]2CC[C@H]2CO)c1F ZINC000934017111 631614207 /nfs/dbraw/zinc/61/42/07/631614207.db2.gz YQJYIEZDFOYLOB-VIFPVBQESA-N 1 2 227.254 1.840 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934126211 631702837 /nfs/dbraw/zinc/70/28/37/631702837.db2.gz UOURASHNAKRINU-LPEHRKFASA-N 1 2 239.319 1.802 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934126211 631702846 /nfs/dbraw/zinc/70/28/46/631702846.db2.gz UOURASHNAKRINU-LPEHRKFASA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nc(C(C)C)no1 ZINC000934132603 631707489 /nfs/dbraw/zinc/70/74/89/631707489.db2.gz RMDVFHQMUNDMCJ-UWVGGRQHSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000934132603 631707491 /nfs/dbraw/zinc/70/74/91/631707491.db2.gz RMDVFHQMUNDMCJ-UWVGGRQHSA-N 1 2 239.319 1.802 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@]23C[C@H]2CCC3)[nH+]c1C ZINC000934425863 631834197 /nfs/dbraw/zinc/83/41/97/631834197.db2.gz PVSZNZAMTMCJQP-ZWNOBZJWSA-N 1 2 233.315 1.833 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1F ZINC000934570272 631940157 /nfs/dbraw/zinc/94/01/57/631940157.db2.gz JCVLWOAKSAYVRQ-VXGBXAGGSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1F ZINC000934570272 631940167 /nfs/dbraw/zinc/94/01/67/631940167.db2.gz JCVLWOAKSAYVRQ-VXGBXAGGSA-N 1 2 227.254 1.730 20 0 BDADLO CC1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000308864147 631987605 /nfs/dbraw/zinc/98/76/05/631987605.db2.gz WFUHCPVCIDZURB-UHFFFAOYSA-N 1 2 206.245 1.507 20 0 BDADLO CO[C@@H](CNc1cc[nH+]c(C)n1)C(F)(F)F ZINC000309408145 632049717 /nfs/dbraw/zinc/04/97/17/632049717.db2.gz BHIJCNJRBQIWBL-ZETCQYMHSA-N 1 2 235.209 1.774 20 0 BDADLO Cc1cc(C)n(Cc2ccc(N)[nH+]c2)n1 ZINC000050818618 632061373 /nfs/dbraw/zinc/06/13/73/632061373.db2.gz BCHFLIWMLPZIRS-UHFFFAOYSA-N 1 2 202.261 1.525 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CC[C@@H]1CCCO1 ZINC000934819916 632091535 /nfs/dbraw/zinc/09/15/35/632091535.db2.gz LBDFHWCZAFSBPW-NSHDSACASA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ncc[nH]1 ZINC000926561910 632552250 /nfs/dbraw/zinc/55/22/50/632552250.db2.gz BZKZUPFWKVHMTL-DCAQKATOSA-N 1 2 248.330 1.214 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000309137087 632645353 /nfs/dbraw/zinc/64/53/53/632645353.db2.gz OKIANHSLPVXBHB-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000309137087 632645357 /nfs/dbraw/zinc/64/53/57/632645357.db2.gz OKIANHSLPVXBHB-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CC1(COC)CCC1 ZINC000309737648 632664254 /nfs/dbraw/zinc/66/42/54/632664254.db2.gz GWSSTSSHNALEMC-JTQLQIEISA-N 1 2 229.320 1.344 20 0 BDADLO Cc1noc(C)c1CN(C)Cc1c[nH+]cn1C ZINC000177252890 632794445 /nfs/dbraw/zinc/79/44/45/632794445.db2.gz TZJLUIPTAYLPCV-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCOC23CCCCC3)[nH]n1 ZINC000924988021 635825644 /nfs/dbraw/zinc/82/56/44/635825644.db2.gz BUBGGNCIDWNJIU-GFCCVEGCSA-N 1 2 235.331 1.991 20 0 BDADLO c1cc(C[NH2+][C@H]2CCOC23CCCCC3)[nH]n1 ZINC000924988027 635826154 /nfs/dbraw/zinc/82/61/54/635826154.db2.gz BUBGGNCIDWNJIU-LBPRGKRZSA-N 1 2 235.331 1.991 20 0 BDADLO CCN(CCSC)c1nccn2c[nH+]cc12 ZINC000894365466 635865262 /nfs/dbraw/zinc/86/52/62/635865262.db2.gz BQVWENZDLZPWCD-UHFFFAOYSA-N 1 2 236.344 1.919 20 0 BDADLO Nc1cc(COC(=O)CSC(F)F)cc[nH+]1 ZINC000309552494 633197024 /nfs/dbraw/zinc/19/70/24/633197024.db2.gz KVKZIQWGEZIROI-UHFFFAOYSA-N 1 2 248.254 1.663 20 0 BDADLO Nc1cc(CSc2cccc[n+]2[O-])cc[nH+]1 ZINC000309559489 633198364 /nfs/dbraw/zinc/19/83/64/633198364.db2.gz NYMHGZBIFNLHAE-UHFFFAOYSA-N 1 2 233.296 1.590 20 0 BDADLO O[C@H](CNc1cccc[nH+]1)c1ccccn1 ZINC000309630262 633217233 /nfs/dbraw/zinc/21/72/33/633217233.db2.gz KDFGLIXYYBGPPO-LLVKDONJSA-N 1 2 215.256 1.622 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC[S@@](C)=O)[nH+]1 ZINC000081000515 633231447 /nfs/dbraw/zinc/23/14/47/633231447.db2.gz RDBMAILEYHZRII-INIZCTEOSA-N 1 2 238.316 1.057 20 0 BDADLO COC(C)(C)CN(C)c1nccn2c[nH+]cc12 ZINC000892902042 633240815 /nfs/dbraw/zinc/24/08/15/633240815.db2.gz CTEDTAMMFXCKKD-UHFFFAOYSA-N 1 2 234.303 1.591 20 0 BDADLO CNc1cc(N2[C@H](C)CC[C@H]2C)nc[nH+]1 ZINC000892899915 633241152 /nfs/dbraw/zinc/24/11/52/633241152.db2.gz NXXHTFAOUMDOCB-RKDXNWHRSA-N 1 2 206.293 1.896 20 0 BDADLO CNc1cc(N2[C@H](C)CC[C@H]2C)[nH+]cn1 ZINC000892899915 633241156 /nfs/dbraw/zinc/24/11/56/633241156.db2.gz NXXHTFAOUMDOCB-RKDXNWHRSA-N 1 2 206.293 1.896 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000895033513 636017804 /nfs/dbraw/zinc/01/78/04/636017804.db2.gz DLOLAWKDGPDQMO-QWRGUYRKSA-N 1 2 237.347 1.878 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000895033513 636017807 /nfs/dbraw/zinc/01/78/07/636017807.db2.gz DLOLAWKDGPDQMO-QWRGUYRKSA-N 1 2 237.347 1.878 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029201115 636021789 /nfs/dbraw/zinc/02/17/89/636021789.db2.gz YZMYYFVLNXNBFI-WISYIIOYSA-N 1 2 240.322 1.287 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029201115 636021793 /nfs/dbraw/zinc/02/17/93/636021793.db2.gz YZMYYFVLNXNBFI-WISYIIOYSA-N 1 2 240.322 1.287 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CF)C1 ZINC000881675557 636045111 /nfs/dbraw/zinc/04/51/11/636045111.db2.gz YMFKRFIOVOAPPZ-SNVBAGLBSA-N 1 2 239.294 1.171 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC000928553034 636087545 /nfs/dbraw/zinc/08/75/45/636087545.db2.gz BRJHTQBDGHUMGC-ZCFIWIBFSA-N 1 2 245.735 1.230 20 0 BDADLO C[N@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC000928553034 636087547 /nfs/dbraw/zinc/08/75/47/636087547.db2.gz BRJHTQBDGHUMGC-ZCFIWIBFSA-N 1 2 245.735 1.230 20 0 BDADLO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000928570486 636115205 /nfs/dbraw/zinc/11/52/05/636115205.db2.gz UKVFQLMTGGRLLJ-CYBMUJFWSA-N 1 2 246.310 1.323 20 0 BDADLO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000928570486 636115210 /nfs/dbraw/zinc/11/52/10/636115210.db2.gz UKVFQLMTGGRLLJ-CYBMUJFWSA-N 1 2 246.310 1.323 20 0 BDADLO COC(C)(C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000928592951 636134975 /nfs/dbraw/zinc/13/49/75/636134975.db2.gz BNDDSAXSEMZFBT-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1cc(N(C)C)[nH+]cn1 ZINC000892942198 633749865 /nfs/dbraw/zinc/74/98/65/633749865.db2.gz UBRDJAQAHCMJKR-ZJUUUORDSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1cc(N(C)C)nc[nH+]1 ZINC000892942198 633749875 /nfs/dbraw/zinc/74/98/75/633749875.db2.gz UBRDJAQAHCMJKR-ZJUUUORDSA-N 1 2 236.319 1.156 20 0 BDADLO CNc1cc(N[C@@H]2CCOC2(C)C)nc[nH+]1 ZINC000328398416 633761833 /nfs/dbraw/zinc/76/18/33/633761833.db2.gz QYTSGQPOSFHZDP-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO CNc1cc(N[C@@H]2CCOC2(C)C)[nH+]cn1 ZINC000328398416 633761837 /nfs/dbraw/zinc/76/18/37/633761837.db2.gz QYTSGQPOSFHZDP-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO CCCOC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308618786 633772668 /nfs/dbraw/zinc/77/26/68/633772668.db2.gz NVFLNBJMONHXKB-UHFFFAOYSA-N 1 2 244.335 1.233 20 0 BDADLO CO[C@H]1CCC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000178961985 633849914 /nfs/dbraw/zinc/84/99/14/633849914.db2.gz ZGWZCDNFEDHFKD-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000178961985 633849916 /nfs/dbraw/zinc/84/99/16/633849916.db2.gz ZGWZCDNFEDHFKD-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+]C(C)(C)C(C)(C)O ZINC000309893757 633911100 /nfs/dbraw/zinc/91/11/00/633911100.db2.gz DWYJAVJHBJGYQN-SECBINFHSA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000930623007 633946222 /nfs/dbraw/zinc/94/62/22/633946222.db2.gz MQXYGTWKGKQOMK-KXUCPTDWSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000930623007 633946227 /nfs/dbraw/zinc/94/62/27/633946227.db2.gz MQXYGTWKGKQOMK-KXUCPTDWSA-N 1 2 217.284 1.618 20 0 BDADLO CCC[C@H]([NH2+][C@H](CC)CO)C(=O)OCC ZINC000216249491 633969468 /nfs/dbraw/zinc/96/94/68/633969468.db2.gz AUROBELOXHBKAE-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO CC(C)C[C@@H](CO)N(C)c1nccn2c[nH+]cc12 ZINC000893246714 633971284 /nfs/dbraw/zinc/97/12/84/633971284.db2.gz QMROKUAHXUVVPM-NSHDSACASA-N 1 2 248.330 1.573 20 0 BDADLO CCC1(CC)[C@@H]([NH2+][C@@H](C)C(=O)OC)C[C@@H]1OC ZINC000178365434 634023550 /nfs/dbraw/zinc/02/35/50/634023550.db2.gz AVKFSPJIJBNPQF-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000309925483 634043035 /nfs/dbraw/zinc/04/30/35/634043035.db2.gz VDKNEZAOZRZVIN-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@@H](CO)C1CC[NH+](Cc2nncs2)CC1 ZINC000930856732 634138054 /nfs/dbraw/zinc/13/80/54/634138054.db2.gz ZSZPSGPVSMTOQY-VIFPVBQESA-N 1 2 241.360 1.379 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000930866510 634145254 /nfs/dbraw/zinc/14/52/54/634145254.db2.gz WTAFJFHZSLEYSY-DYEKYZERSA-N 1 2 249.358 1.840 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000930866510 634145260 /nfs/dbraw/zinc/14/52/60/634145260.db2.gz WTAFJFHZSLEYSY-DYEKYZERSA-N 1 2 249.358 1.840 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](COCC)C(C)C ZINC000189815872 634183426 /nfs/dbraw/zinc/18/34/26/634183426.db2.gz OYZGCCLVIMFKEK-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1nccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000956944790 634313126 /nfs/dbraw/zinc/31/31/26/634313126.db2.gz SUBRHGOZPSMYAR-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1nccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000956944790 634313127 /nfs/dbraw/zinc/31/31/27/634313127.db2.gz SUBRHGOZPSMYAR-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO O=C(c1ccoc1)N1CCC[N@@H+](CCF)CC1 ZINC000980704595 635260689 /nfs/dbraw/zinc/26/06/89/635260689.db2.gz NMAOYQMKQXVRPT-UHFFFAOYSA-N 1 2 240.278 1.397 20 0 BDADLO O=C(c1ccoc1)N1CCC[N@H+](CCF)CC1 ZINC000980704595 635260695 /nfs/dbraw/zinc/26/06/95/635260695.db2.gz NMAOYQMKQXVRPT-UHFFFAOYSA-N 1 2 240.278 1.397 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000259980759 635282731 /nfs/dbraw/zinc/28/27/31/635282731.db2.gz KOGXCAQCRKOIOC-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000259980759 635282736 /nfs/dbraw/zinc/28/27/36/635282736.db2.gz KOGXCAQCRKOIOC-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO CC[C@@H](CO)[NH2+][C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000931772192 635335237 /nfs/dbraw/zinc/33/52/37/635335237.db2.gz KTZZGOJWMNICHZ-QWRGUYRKSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]([NH2+][C@@H]1CNOC1)c1nc2ccccc2n1C ZINC000925863200 635562426 /nfs/dbraw/zinc/56/24/26/635562426.db2.gz JXDBBYZXSSYOOP-VHSXEESVSA-N 1 2 246.314 1.127 20 0 BDADLO CN(C)c1cc(N2C[C@H]3[C@@H](C2)C3(F)F)nc[nH+]1 ZINC000894406783 635892710 /nfs/dbraw/zinc/89/27/10/635892710.db2.gz NZJFFMNWJPOESR-OCAPTIKFSA-N 1 2 240.257 1.244 20 0 BDADLO CN(C)c1cc(N2C[C@H]3[C@@H](C2)C3(F)F)[nH+]cn1 ZINC000894406783 635892713 /nfs/dbraw/zinc/89/27/13/635892713.db2.gz NZJFFMNWJPOESR-OCAPTIKFSA-N 1 2 240.257 1.244 20 0 BDADLO C[C@@H]1C[NH+](Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000751926771 636450096 /nfs/dbraw/zinc/45/00/96/636450096.db2.gz IDMGXOHNTCSHHA-GHMZBOCLSA-N 1 2 246.314 1.041 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000169798141 636541837 /nfs/dbraw/zinc/54/18/37/636541837.db2.gz KJHVSDNPFIMAHJ-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO COc1c(C)c[nH+]c(CNCc2ncc[nH]2)c1C ZINC000067694597 636768360 /nfs/dbraw/zinc/76/83/60/636768360.db2.gz QWVAJDUHZPOYKE-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO CC(C)Cc1ccccc1C[N@@H+]1CCNC(=O)C1 ZINC000929138507 636830251 /nfs/dbraw/zinc/83/02/51/636830251.db2.gz UWRKVFJNYBWIGJ-UHFFFAOYSA-N 1 2 246.354 1.817 20 0 BDADLO CC(C)Cc1ccccc1C[N@H+]1CCNC(=O)C1 ZINC000929138507 636830256 /nfs/dbraw/zinc/83/02/56/636830256.db2.gz UWRKVFJNYBWIGJ-UHFFFAOYSA-N 1 2 246.354 1.817 20 0 BDADLO CCc1coc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000897659609 636834111 /nfs/dbraw/zinc/83/41/11/636834111.db2.gz BYXVGJMQACRIOJ-SECBINFHSA-N 1 2 223.276 1.270 20 0 BDADLO CCc1coc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000897659609 636834114 /nfs/dbraw/zinc/83/41/14/636834114.db2.gz BYXVGJMQACRIOJ-SECBINFHSA-N 1 2 223.276 1.270 20 0 BDADLO c1sc([C@H]2COCC[NH2+]2)nc1-c1cccnc1 ZINC000084078537 636874382 /nfs/dbraw/zinc/87/43/82/636874382.db2.gz HWWONMVEIMWLPE-SNVBAGLBSA-N 1 2 247.323 1.866 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C(=O)OC(C)(C)C ZINC000323310579 636920035 /nfs/dbraw/zinc/92/00/35/636920035.db2.gz TYIVLFPIZFBWMK-IVZWLZJFSA-N 1 2 229.320 1.220 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC000898910611 637063759 /nfs/dbraw/zinc/06/37/59/637063759.db2.gz UTWKILDRDRJDDX-JTQLQIEISA-N 1 2 233.315 1.535 20 0 BDADLO CCn1cc(C[NH+]2CCC(C)(F)CC2)nn1 ZINC000899886294 637148234 /nfs/dbraw/zinc/14/82/34/637148234.db2.gz OQNXRANCGVBAAO-UHFFFAOYSA-N 1 2 226.299 1.622 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2cccnc2)c[nH+]1 ZINC000899915906 637154286 /nfs/dbraw/zinc/15/42/86/637154286.db2.gz LIYZDUFRZVMODI-UHFFFAOYSA-N 1 2 244.298 1.960 20 0 BDADLO Cc1cnc(CNC(=O)CNc2cccc[nH+]2)o1 ZINC000900906649 637201375 /nfs/dbraw/zinc/20/13/75/637201375.db2.gz OHRRTJNURGFGIH-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BDADLO COC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccco1 ZINC000900921551 637207230 /nfs/dbraw/zinc/20/72/30/637207230.db2.gz DTKINKDAYLASES-SNVBAGLBSA-N 1 2 249.270 1.049 20 0 BDADLO Cc1[nH]c(CNC(=O)c2coc(CO)c2)[nH+]c1C ZINC000900999336 637224487 /nfs/dbraw/zinc/22/44/87/637224487.db2.gz GAKVCARBFWXQNA-UHFFFAOYSA-N 1 2 249.270 1.042 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000901026350 637228319 /nfs/dbraw/zinc/22/83/19/637228319.db2.gz LMXPMEIZLAJDBO-DTORHVGOSA-N 1 2 207.277 1.352 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)CNc1cccc[nH+]1 ZINC000901029257 637229787 /nfs/dbraw/zinc/22/97/87/637229787.db2.gz MIELVLAFWJCUFQ-GHMZBOCLSA-N 1 2 233.315 1.893 20 0 BDADLO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)C1(O)CCC1 ZINC000905263793 637717068 /nfs/dbraw/zinc/71/70/68/637717068.db2.gz WVYPHJQLDYHYSQ-IUCAKERBSA-N 1 2 235.274 1.040 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCc1ccco1)C(=O)OC ZINC000905747142 637896977 /nfs/dbraw/zinc/89/69/77/637896977.db2.gz JXDYSSOFMWDUOL-ZYHUDNBSSA-N 1 2 239.315 1.999 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CC(C)(C)OC2=O)CCO1 ZINC000905740742 637905456 /nfs/dbraw/zinc/90/54/56/637905456.db2.gz SSBAZXLREQNWLX-SNVBAGLBSA-N 1 2 242.319 1.286 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CC(C)(C)OC2=O)CCO1 ZINC000905740742 637905461 /nfs/dbraw/zinc/90/54/61/637905461.db2.gz SSBAZXLREQNWLX-SNVBAGLBSA-N 1 2 242.319 1.286 20 0 BDADLO CC(C)/C=C\c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817968 637943414 /nfs/dbraw/zinc/94/34/14/637943414.db2.gz XHZDRBNXVZVPHE-HYXAFXHYSA-N 1 2 243.314 1.973 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1COC[C@H]1C ZINC000905869033 637954768 /nfs/dbraw/zinc/95/47/68/637954768.db2.gz YDOMQVMJFXILKV-WOPDTQHZSA-N 1 2 243.347 1.589 20 0 BDADLO CCC1(C)C[NH+](CC[S@@](=O)C(F)(F)F)C1 ZINC000905959389 638005409 /nfs/dbraw/zinc/00/54/09/638005409.db2.gz SLQFFHRIINCABF-OAHLLOKOSA-N 1 2 243.294 1.987 20 0 BDADLO COc1ncc(-c2c[nH+]cn2C)cc1C ZINC000906189291 638096722 /nfs/dbraw/zinc/09/67/22/638096722.db2.gz BWSKFLDSKQMEDZ-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO CC(=O)CCn1cc(C[NH+]2C3CCC2CC3)nn1 ZINC000906252965 638117454 /nfs/dbraw/zinc/11/74/54/638117454.db2.gz TYFIVWOCDRIGNW-UHFFFAOYSA-N 1 2 248.330 1.384 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1cnn(C)c1 ZINC000906288879 638132540 /nfs/dbraw/zinc/13/25/40/638132540.db2.gz COQNTSGOHRVUBP-VIFPVBQESA-N 1 2 246.318 1.197 20 0 BDADLO COc1ncccc1-c1c[nH+]c(C)n1C ZINC000906547261 638208588 /nfs/dbraw/zinc/20/85/88/638208588.db2.gz ZFHODKCSSOVLRE-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO COC1(CNC(=O)CNc2cccc[nH+]2)CCC1 ZINC000907261156 638334933 /nfs/dbraw/zinc/33/49/33/638334933.db2.gz PEENLTSPDFTMAM-UHFFFAOYSA-N 1 2 249.314 1.179 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCCCS1 ZINC000907320340 638352559 /nfs/dbraw/zinc/35/25/59/638352559.db2.gz KWFWLZNQKJFOLM-SNVBAGLBSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000907404627 638372571 /nfs/dbraw/zinc/37/25/71/638372571.db2.gz MLTJFOCWXFADKL-CMPLNLGQSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H](CCC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907435927 638382754 /nfs/dbraw/zinc/38/27/54/638382754.db2.gz DPNUSWZCSKDNOV-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907524475 638396009 /nfs/dbraw/zinc/39/60/09/638396009.db2.gz CYBPQYVIHCTLJJ-ORZBULNSSA-N 1 2 239.706 1.457 20 0 BDADLO CCOC[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000907537986 638399011 /nfs/dbraw/zinc/39/90/11/638399011.db2.gz PFKMCYGHOPOPKE-JTQLQIEISA-N 1 2 237.303 1.035 20 0 BDADLO CO[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907634320 638425942 /nfs/dbraw/zinc/42/59/42/638425942.db2.gz LHKKCCDOYRHBDI-SNVBAGLBSA-N 1 2 236.315 1.772 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ncccc1F ZINC000907861813 638490703 /nfs/dbraw/zinc/49/07/03/638490703.db2.gz XJMYHVAPZSJIGI-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907909603 638509005 /nfs/dbraw/zinc/50/90/05/638509005.db2.gz AVEGUIFYTOSWGG-UWVGGRQHSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]2C2CC2)c[nH+]1 ZINC000908558713 639009790 /nfs/dbraw/zinc/00/97/90/639009790.db2.gz XHIGRGIHWWNJGE-LBPRGKRZSA-N 1 2 247.342 1.938 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[C@H]1C1CC1 ZINC000910407266 639436359 /nfs/dbraw/zinc/43/63/59/639436359.db2.gz XXUJDPHHOANMSA-YPMHNXCESA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)OCC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000910472918 639463669 /nfs/dbraw/zinc/46/36/69/639463669.db2.gz XVXQFCAUNHQLTM-UHFFFAOYSA-N 1 2 239.319 1.272 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000911299861 639614251 /nfs/dbraw/zinc/61/42/51/639614251.db2.gz AXENJICQHZUHDT-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1cnc(C(=O)NCCn2cc[nH+]c2)cc1C ZINC000930220303 639640855 /nfs/dbraw/zinc/64/08/55/639640855.db2.gz AQNRKLYKNTWHDR-UHFFFAOYSA-N 1 2 244.298 1.325 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1CCOC1CC1 ZINC000930470457 639769504 /nfs/dbraw/zinc/76/95/04/639769504.db2.gz VNEQVLKEXXEROZ-SECBINFHSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1CCOC1CC1 ZINC000930470457 639769506 /nfs/dbraw/zinc/76/95/06/639769506.db2.gz VNEQVLKEXXEROZ-SECBINFHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1c(F)cncc1F ZINC000930598707 639816211 /nfs/dbraw/zinc/81/62/11/639816211.db2.gz QFPSWOZKBVVJJT-QMMMGPOBSA-N 1 2 230.258 1.563 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1c(F)cncc1F ZINC000930598707 639816212 /nfs/dbraw/zinc/81/62/12/639816212.db2.gz QFPSWOZKBVVJJT-QMMMGPOBSA-N 1 2 230.258 1.563 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](F)C2)c(C)nn1 ZINC000930602581 639817213 /nfs/dbraw/zinc/81/72/13/639817213.db2.gz ADXQTJDISCZEHI-NSHDSACASA-N 1 2 209.268 1.637 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](F)C2)c(C)nn1 ZINC000930602581 639817214 /nfs/dbraw/zinc/81/72/14/639817214.db2.gz ADXQTJDISCZEHI-NSHDSACASA-N 1 2 209.268 1.637 20 0 BDADLO COc1nnc(C[N@@H+](C)[C@@H](C)C(C)(C)O)s1 ZINC000930614050 639823566 /nfs/dbraw/zinc/82/35/66/639823566.db2.gz SLLWKZBQBLMLEV-ZETCQYMHSA-N 1 2 245.348 1.138 20 0 BDADLO COc1nnc(C[N@H+](C)[C@@H](C)C(C)(C)O)s1 ZINC000930614050 639823565 /nfs/dbraw/zinc/82/35/65/639823565.db2.gz SLLWKZBQBLMLEV-ZETCQYMHSA-N 1 2 245.348 1.138 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC12CCCC2 ZINC000911864280 639852185 /nfs/dbraw/zinc/85/21/85/639852185.db2.gz DGHCVEMUZWHTBQ-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(F)cncc2F)C1 ZINC000930669809 639857007 /nfs/dbraw/zinc/85/70/07/639857007.db2.gz CMFDLGWJVQKMPZ-BDAKNGLRSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930669809 639857011 /nfs/dbraw/zinc/85/70/11/639857011.db2.gz CMFDLGWJVQKMPZ-BDAKNGLRSA-N 1 2 242.269 1.563 20 0 BDADLO CC[C@@H](CO)[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000930714315 639874882 /nfs/dbraw/zinc/87/48/82/639874882.db2.gz CWHSKFNCVWUCBS-AWEZNQCLSA-N 1 2 233.311 1.976 20 0 BDADLO CC[C@@H](CO)[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000930714315 639874885 /nfs/dbraw/zinc/87/48/85/639874885.db2.gz CWHSKFNCVWUCBS-AWEZNQCLSA-N 1 2 233.311 1.976 20 0 BDADLO COC[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930746283 639894337 /nfs/dbraw/zinc/89/43/37/639894337.db2.gz BFBMBWLKCDNTPP-SECBINFHSA-N 1 2 247.298 1.575 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2nncs2)C2(CCC2)C1 ZINC000930752819 639896876 /nfs/dbraw/zinc/89/68/76/639896876.db2.gz AVNCKURUZVYYEO-SECBINFHSA-N 1 2 239.344 1.418 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2nncs2)C2(CCC2)C1 ZINC000930752819 639896880 /nfs/dbraw/zinc/89/68/80/639896880.db2.gz AVNCKURUZVYYEO-SECBINFHSA-N 1 2 239.344 1.418 20 0 BDADLO C[C@@H](Cc1ccccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000912059699 639929438 /nfs/dbraw/zinc/92/94/38/639929438.db2.gz POJOPPOMUHMTSN-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO CC(C)[C@@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930870179 639963383 /nfs/dbraw/zinc/96/33/83/639963383.db2.gz BTOOGSKEFKDTLJ-CABZTGNLSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@H](O)CCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930874437 639964747 /nfs/dbraw/zinc/96/47/47/639964747.db2.gz PVDSFDAQMVATCE-CABZTGNLSA-N 1 2 229.320 1.221 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000930889208 639968065 /nfs/dbraw/zinc/96/80/65/639968065.db2.gz KANZOAGICWTOMR-ZKXNXJMVSA-N 1 2 239.319 1.964 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000930889208 639968071 /nfs/dbraw/zinc/96/80/71/639968071.db2.gz KANZOAGICWTOMR-ZKXNXJMVSA-N 1 2 239.319 1.964 20 0 BDADLO C[C@H]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000912503531 640099625 /nfs/dbraw/zinc/09/96/25/640099625.db2.gz KXKSCJSYEFMOHH-ONGXEEELSA-N 1 2 237.303 1.026 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912583757 640121670 /nfs/dbraw/zinc/12/16/70/640121670.db2.gz FGPOXPYQSIKBRD-QZGLAHODSA-N 1 2 223.251 1.708 20 0 BDADLO CC[C@](C)(O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000931467279 640226642 /nfs/dbraw/zinc/22/66/42/640226642.db2.gz IDCIXIVJZWXLJR-ZDUSSCGKSA-N 1 2 247.298 1.742 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931467326 640227410 /nfs/dbraw/zinc/22/74/10/640227410.db2.gz NSCDYEVIXYZSGA-LWTINBJPSA-N 1 2 249.314 1.448 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931467326 640227414 /nfs/dbraw/zinc/22/74/14/640227414.db2.gz NSCDYEVIXYZSGA-LWTINBJPSA-N 1 2 249.314 1.448 20 0 BDADLO Cc1c[nH]c(CNC(=O)CCCn2cc[nH+]c2)n1 ZINC000913215421 640329550 /nfs/dbraw/zinc/32/95/50/640329550.db2.gz JNMZUXVKBPNBRA-UHFFFAOYSA-N 1 2 247.302 1.011 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H](CC(C)C)C(N)=O)o1 ZINC000931706608 640330240 /nfs/dbraw/zinc/33/02/40/640330240.db2.gz IHXFMAOPHBIIKI-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H](CC(C)C)C(N)=O)o1 ZINC000931706608 640330252 /nfs/dbraw/zinc/33/02/52/640330252.db2.gz IHXFMAOPHBIIKI-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO CO[C@H]1C[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000913347592 640356944 /nfs/dbraw/zinc/35/69/44/640356944.db2.gz OPMJRBSOJAOZEQ-PHIMTYICSA-N 1 2 249.314 1.035 20 0 BDADLO CCCNc1cc(NC[C@@H](C)CCO)nc[nH+]1 ZINC000156698261 640485679 /nfs/dbraw/zinc/48/56/79/640485679.db2.gz JWJZSBCZRUXQRY-JTQLQIEISA-N 1 2 238.335 1.729 20 0 BDADLO CCCNc1cc(NC[C@@H](C)CCO)[nH+]cn1 ZINC000156698261 640485685 /nfs/dbraw/zinc/48/56/85/640485685.db2.gz JWJZSBCZRUXQRY-JTQLQIEISA-N 1 2 238.335 1.729 20 0 BDADLO CCCOc1ccnc(NCCn2cc[nH+]c2)n1 ZINC000164524743 640488247 /nfs/dbraw/zinc/48/82/47/640488247.db2.gz PVHPEFDMKUGHTQ-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932357280 640498386 /nfs/dbraw/zinc/49/83/86/640498386.db2.gz ZOOKNWOPJXEPMS-LBPRGKRZSA-N 1 2 248.330 1.044 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CCF ZINC000932434612 640526268 /nfs/dbraw/zinc/52/62/68/640526268.db2.gz NTWQDFUBBJKQNX-SECBINFHSA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CCF ZINC000932434612 640526273 /nfs/dbraw/zinc/52/62/73/640526273.db2.gz NTWQDFUBBJKQNX-SECBINFHSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@H]1COC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000932487865 640552010 /nfs/dbraw/zinc/55/20/10/640552010.db2.gz DDKDUJSPPGKNBE-NTSWFWBYSA-N 1 2 233.218 1.132 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)c1ccccc1 ZINC001030059993 640559388 /nfs/dbraw/zinc/55/93/88/640559388.db2.gz MDLJMSAPDIWGQX-UHFFFAOYSA-N 1 2 236.290 1.460 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCn2cccc2C1 ZINC000932525711 640563267 /nfs/dbraw/zinc/56/32/67/640563267.db2.gz GYOIMCDTRTYWAV-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCn2cccc2C1 ZINC000932525711 640563274 /nfs/dbraw/zinc/56/32/74/640563274.db2.gz GYOIMCDTRTYWAV-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001030075186 640577878 /nfs/dbraw/zinc/57/78/78/640577878.db2.gz RQEBWFZXYNSYDF-SMDDNHRTSA-N 1 2 244.338 1.643 20 0 BDADLO Cc1cc(CCC(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000932607511 640584138 /nfs/dbraw/zinc/58/41/38/640584138.db2.gz UKIVVPOOHDIMNV-UHFFFAOYSA-N 1 2 245.282 1.680 20 0 BDADLO CC(C)C[NH+]1CC(NC(=O)c2cncs2)C1 ZINC001030133717 640624538 /nfs/dbraw/zinc/62/45/38/640624538.db2.gz VTMHQVIOJCWKTA-UHFFFAOYSA-N 1 2 239.344 1.213 20 0 BDADLO CCO[C@@H](C[N@@H+]1CC(=O)CC[C@@H]1C)C1CC1 ZINC000932876092 640635283 /nfs/dbraw/zinc/63/52/83/640635283.db2.gz HPEQHTLHAGDLDD-GWCFXTLKSA-N 1 2 225.332 1.855 20 0 BDADLO CCO[C@@H](C[N@H+]1CC(=O)CC[C@@H]1C)C1CC1 ZINC000932876092 640635287 /nfs/dbraw/zinc/63/52/87/640635287.db2.gz HPEQHTLHAGDLDD-GWCFXTLKSA-N 1 2 225.332 1.855 20 0 BDADLO CO[C@H](C[N@@H+]1CC(=O)CC[C@@H]1C)[C@@H]1CCOC1 ZINC000932880144 640638699 /nfs/dbraw/zinc/63/86/99/640638699.db2.gz WRZBFJTWXFJGAW-DMDPSCGWSA-N 1 2 241.331 1.091 20 0 BDADLO CO[C@H](C[N@H+]1CC(=O)CC[C@@H]1C)[C@@H]1CCOC1 ZINC000932880144 640638702 /nfs/dbraw/zinc/63/87/02/640638702.db2.gz WRZBFJTWXFJGAW-DMDPSCGWSA-N 1 2 241.331 1.091 20 0 BDADLO COC/C(C)=C/C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000933150047 640670092 /nfs/dbraw/zinc/67/00/92/640670092.db2.gz PKJGWULJJAPSGY-CDCCAWJDSA-N 1 2 229.320 1.366 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000157419069 640675081 /nfs/dbraw/zinc/67/50/81/640675081.db2.gz RDVMYSHOYCVXHA-NXEZZACHSA-N 1 2 239.290 1.908 20 0 BDADLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCOC1CC1 ZINC000933168208 640675232 /nfs/dbraw/zinc/67/52/32/640675232.db2.gz YGPACEZWCYLLDY-MFKMUULPSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCOC1CC1 ZINC000933168208 640675235 /nfs/dbraw/zinc/67/52/35/640675235.db2.gz YGPACEZWCYLLDY-MFKMUULPSA-N 1 2 239.315 1.193 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@@H](C)OC)n1 ZINC000166805565 640678131 /nfs/dbraw/zinc/67/81/31/640678131.db2.gz WLUHZUMQCGFFGT-MRVPVSSYSA-N 1 2 213.281 1.147 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933204705 640679573 /nfs/dbraw/zinc/67/95/73/640679573.db2.gz UKXMUGFKVUTPDZ-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933204705 640679578 /nfs/dbraw/zinc/67/95/78/640679578.db2.gz UKXMUGFKVUTPDZ-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO CC(=O)OC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000157533772 640690936 /nfs/dbraw/zinc/69/09/36/640690936.db2.gz ZVICBZBJKCDNEI-UHFFFAOYSA-N 1 2 235.287 1.317 20 0 BDADLO O=C1C[N@@H+](CCCF)[C@H](c2ccccc2)CN1 ZINC000933326245 640703458 /nfs/dbraw/zinc/70/34/58/640703458.db2.gz GJURTTVIIUQYJR-LBPRGKRZSA-N 1 2 236.290 1.519 20 0 BDADLO O=C1C[N@H+](CCCF)[C@H](c2ccccc2)CN1 ZINC000933326245 640703460 /nfs/dbraw/zinc/70/34/60/640703460.db2.gz GJURTTVIIUQYJR-LBPRGKRZSA-N 1 2 236.290 1.519 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1cnccc1C ZINC000933337925 640706287 /nfs/dbraw/zinc/70/62/87/640706287.db2.gz WTXUFYJGXFUERW-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1cnccc1C ZINC000933337925 640706291 /nfs/dbraw/zinc/70/62/91/640706291.db2.gz WTXUFYJGXFUERW-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nn2)CCCO1 ZINC000167404578 640717290 /nfs/dbraw/zinc/71/72/90/640717290.db2.gz CWTRJVIFYWHDCT-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nn2)CCCO1 ZINC000167404578 640717294 /nfs/dbraw/zinc/71/72/94/640717294.db2.gz CWTRJVIFYWHDCT-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)coc2C)C1 ZINC001030271268 640720161 /nfs/dbraw/zinc/72/01/61/640720161.db2.gz BNGNKXKXVBKQJP-UHFFFAOYSA-N 1 2 222.288 1.330 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001030296563 640737412 /nfs/dbraw/zinc/73/74/12/640737412.db2.gz ACCRAULLIKDZII-ZJUUUORDSA-N 1 2 228.311 1.335 20 0 BDADLO FCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933675557 640741397 /nfs/dbraw/zinc/74/13/97/640741397.db2.gz PIWVCZGTSKBBFH-QWRGUYRKSA-N 1 2 217.284 1.083 20 0 BDADLO FCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933675557 640741402 /nfs/dbraw/zinc/74/14/02/640741402.db2.gz PIWVCZGTSKBBFH-QWRGUYRKSA-N 1 2 217.284 1.083 20 0 BDADLO CNC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046467441 640770504 /nfs/dbraw/zinc/77/05/04/640770504.db2.gz FPDNXAQAVQDPBZ-SECBINFHSA-N 1 2 224.308 1.227 20 0 BDADLO CC[N@H+](CCC(=O)NC)[C@H](C)c1csnn1 ZINC000933863420 640774394 /nfs/dbraw/zinc/77/43/94/640774394.db2.gz YCBIILKEIYTSAW-MRVPVSSYSA-N 1 2 242.348 1.057 20 0 BDADLO CC[N@@H+](CCC(=O)NC)[C@H](C)c1csnn1 ZINC000933863420 640774396 /nfs/dbraw/zinc/77/43/96/640774396.db2.gz YCBIILKEIYTSAW-MRVPVSSYSA-N 1 2 242.348 1.057 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000226820343 640794877 /nfs/dbraw/zinc/79/48/77/640794877.db2.gz YWJNVGZGRRXPEB-LLVKDONJSA-N 1 2 228.299 1.592 20 0 BDADLO O=C(C[N@H+](Cc1ccoc1)C1CC1)NCC1CC1 ZINC000934001346 640801864 /nfs/dbraw/zinc/80/18/64/640801864.db2.gz APXOWDWFFJZYBZ-UHFFFAOYSA-N 1 2 248.326 1.770 20 0 BDADLO O=C(C[N@@H+](Cc1ccoc1)C1CC1)NCC1CC1 ZINC000934001346 640801868 /nfs/dbraw/zinc/80/18/68/640801868.db2.gz APXOWDWFFJZYBZ-UHFFFAOYSA-N 1 2 248.326 1.770 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1[nH]ncc1C ZINC000934105624 640813759 /nfs/dbraw/zinc/81/37/59/640813759.db2.gz PMHUCRKJKOAYCM-WDEREUQCSA-N 1 2 209.293 1.327 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1[nH]ncc1C ZINC000934105624 640813764 /nfs/dbraw/zinc/81/37/64/640813764.db2.gz PMHUCRKJKOAYCM-WDEREUQCSA-N 1 2 209.293 1.327 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(F)ccc2F)C1 ZINC001030446197 640863694 /nfs/dbraw/zinc/86/36/94/640863694.db2.gz ABMDHMMYUFXJIT-UHFFFAOYSA-N 1 2 240.253 1.399 20 0 BDADLO CCc1cnccc1C(=O)NC1C[NH+](CC)C1 ZINC001030579278 640926394 /nfs/dbraw/zinc/92/63/94/640926394.db2.gz BIJYHVKWQCVPLM-UHFFFAOYSA-N 1 2 233.315 1.078 20 0 BDADLO CC(C)NC(=S)NCCNc1cccc[nH+]1 ZINC000061172567 640933006 /nfs/dbraw/zinc/93/30/06/640933006.db2.gz IETJDKOLTSKGJT-UHFFFAOYSA-N 1 2 238.360 1.366 20 0 BDADLO CCCNc1cc(NCC[C@H](C)O)nc[nH+]1 ZINC000087831795 641062943 /nfs/dbraw/zinc/06/29/43/641062943.db2.gz YKBXOLUURVFOEZ-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(NCC[C@H](C)O)[nH+]cn1 ZINC000087831795 641062946 /nfs/dbraw/zinc/06/29/46/641062946.db2.gz YKBXOLUURVFOEZ-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO CCN(CC(C)(C)O)c1cc(NC)[nH+]cn1 ZINC000087838539 641065160 /nfs/dbraw/zinc/06/51/60/641065160.db2.gz YGRXDQCMLSYHCS-UHFFFAOYSA-N 1 2 224.308 1.116 20 0 BDADLO CCN(CC(C)(C)O)c1cc(NC)nc[nH+]1 ZINC000087838539 641065164 /nfs/dbraw/zinc/06/51/64/641065164.db2.gz YGRXDQCMLSYHCS-UHFFFAOYSA-N 1 2 224.308 1.116 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ncccn1 ZINC000934110371 641074865 /nfs/dbraw/zinc/07/48/65/641074865.db2.gz ZHLIHLAESRYEPF-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ncccn1 ZINC000934110371 641074868 /nfs/dbraw/zinc/07/48/68/641074868.db2.gz ZHLIHLAESRYEPF-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nccs1 ZINC000934117194 641083350 /nfs/dbraw/zinc/08/33/50/641083350.db2.gz ZNWZSYBPDSWZSU-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nccs1 ZINC000934117194 641083353 /nfs/dbraw/zinc/08/33/53/641083353.db2.gz ZNWZSYBPDSWZSU-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nc(C)c(C)o1 ZINC000934127202 641087725 /nfs/dbraw/zinc/08/77/25/641087725.db2.gz STFHZIPINLCHGD-WDEREUQCSA-N 1 2 224.304 1.901 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000934127202 641087728 /nfs/dbraw/zinc/08/77/28/641087728.db2.gz STFHZIPINLCHGD-WDEREUQCSA-N 1 2 224.304 1.901 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934234299 641111443 /nfs/dbraw/zinc/11/14/43/641111443.db2.gz KMRWDTCWXGWHCO-UWVGGRQHSA-N 1 2 222.288 1.164 20 0 BDADLO CC(=O)C[N@@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000934326581 641127540 /nfs/dbraw/zinc/12/75/40/641127540.db2.gz AXWLYAXHGFPEOI-GFCCVEGCSA-N 1 2 232.327 1.786 20 0 BDADLO CC(=O)C[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000934326581 641127547 /nfs/dbraw/zinc/12/75/47/641127547.db2.gz AXWLYAXHGFPEOI-GFCCVEGCSA-N 1 2 232.327 1.786 20 0 BDADLO OCC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000231276081 641150590 /nfs/dbraw/zinc/15/05/90/641150590.db2.gz JUHMAITZNMWWAG-UHFFFAOYSA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000231277455 641150634 /nfs/dbraw/zinc/15/06/34/641150634.db2.gz TVTRIKKMNBKSEK-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000231277455 641150639 /nfs/dbraw/zinc/15/06/39/641150639.db2.gz TVTRIKKMNBKSEK-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934571283 641199546 /nfs/dbraw/zinc/19/95/46/641199546.db2.gz QYKRGYKYJQYKHA-CHWSQXEVSA-N 1 2 239.290 1.600 20 0 BDADLO COc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934571283 641199555 /nfs/dbraw/zinc/19/95/55/641199555.db2.gz QYKRGYKYJQYKHA-CHWSQXEVSA-N 1 2 239.290 1.600 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000088001062 641224968 /nfs/dbraw/zinc/22/49/68/641224968.db2.gz LDIGKBZYWJDJMK-LURJTMIESA-N 1 2 225.273 1.444 20 0 BDADLO c1nonc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934695903 641248420 /nfs/dbraw/zinc/24/84/20/641248420.db2.gz CEVWOIFQEVABKZ-GFCCVEGCSA-N 1 2 230.271 1.706 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CCC[C@@H](C)O ZINC000934820409 641281335 /nfs/dbraw/zinc/28/13/35/641281335.db2.gz OQGGJTCYGKXNDW-SNVBAGLBSA-N 1 2 231.336 1.467 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N(CCO)C1CC1 ZINC000934807099 641276642 /nfs/dbraw/zinc/27/66/42/641276642.db2.gz PHXNODPTRHLTGQ-UHFFFAOYSA-N 1 2 245.282 1.160 20 0 BDADLO CO[C@H](C[NH2+]C(C)(C)C(=O)OC(C)C)C1CC1 ZINC000934818484 641280011 /nfs/dbraw/zinc/28/00/11/641280011.db2.gz DNHKRGCTKBQPPA-LLVKDONJSA-N 1 2 243.347 1.731 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001030724205 641323473 /nfs/dbraw/zinc/32/34/73/641323473.db2.gz VZMFFGSHJNXMFY-WCFLWFBJSA-N 1 2 236.359 1.633 20 0 BDADLO O=C(NN1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935101521 641337796 /nfs/dbraw/zinc/33/77/96/641337796.db2.gz XMANSKZNJHAWIV-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CC3(CCC3)C2)C1 ZINC001030813324 641363637 /nfs/dbraw/zinc/36/36/37/641363637.db2.gz DJPBMPNGQCZSRI-UHFFFAOYSA-N 1 2 222.332 1.387 20 0 BDADLO CCSCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829245405 641415798 /nfs/dbraw/zinc/41/57/98/641415798.db2.gz LSYVIZSTDFKBTJ-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO CCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935863161 641496345 /nfs/dbraw/zinc/49/63/45/641496345.db2.gz ZORPSBOXFYEQND-UHFFFAOYSA-N 1 2 245.282 1.160 20 0 BDADLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1(CO)CC1 ZINC000935951472 641506944 /nfs/dbraw/zinc/50/69/44/641506944.db2.gz ZJKYEVKMLBVSRA-UHFFFAOYSA-N 1 2 245.282 1.160 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ncsc1C1CC1 ZINC000914118988 641575113 /nfs/dbraw/zinc/57/51/13/641575113.db2.gz CMUPMMHGKFCWGP-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001031006770 641583887 /nfs/dbraw/zinc/58/38/87/641583887.db2.gz XQMXEIZQNYBKJK-LBPRGKRZSA-N 1 2 234.343 1.553 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001031020941 641597978 /nfs/dbraw/zinc/59/79/78/641597978.db2.gz PCBKVTIPQXXMIK-GFCCVEGCSA-N 1 2 236.290 1.518 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031048707 641644460 /nfs/dbraw/zinc/64/44/60/641644460.db2.gz VMUZUVONQOLZEQ-WDEREUQCSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031048701 641645070 /nfs/dbraw/zinc/64/50/70/641645070.db2.gz VMUZUVONQOLZEQ-GHMZBOCLSA-N 1 2 242.338 1.583 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cc(C)ccn2)no1 ZINC000159344865 641677125 /nfs/dbraw/zinc/67/71/25/641677125.db2.gz WJGXNAIZPMKNIM-QMMMGPOBSA-N 1 2 234.259 1.086 20 0 BDADLO COC[C@H]([NH3+])c1nc(Cc2ccccc2C)no1 ZINC000159337950 641677417 /nfs/dbraw/zinc/67/74/17/641677417.db2.gz LYMCUJQCAROOFO-NSHDSACASA-N 1 2 247.298 1.615 20 0 BDADLO CC[C@H]1CC[N@H+](Cc2nnc(OC)s2)C1 ZINC000929822592 641696953 /nfs/dbraw/zinc/69/69/53/641696953.db2.gz PGDUUKNKXFJHAX-QMMMGPOBSA-N 1 2 227.333 1.779 20 0 BDADLO CC[C@H]1CC[N@@H+](Cc2nnc(OC)s2)C1 ZINC000929822592 641696960 /nfs/dbraw/zinc/69/69/60/641696960.db2.gz PGDUUKNKXFJHAX-QMMMGPOBSA-N 1 2 227.333 1.779 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCSC1 ZINC000049369168 641717578 /nfs/dbraw/zinc/71/75/78/641717578.db2.gz BOTSNXJEDDZFOF-YUMQZZPRSA-N 1 2 203.307 1.033 20 0 BDADLO CC1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CCC1 ZINC001015530544 641734077 /nfs/dbraw/zinc/73/40/77/641734077.db2.gz VVYFQJTYMJTEJS-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO CC1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CCC1 ZINC001015530544 641734081 /nfs/dbraw/zinc/73/40/81/641734081.db2.gz VVYFQJTYMJTEJS-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO OCC[C@H]([NH2+]Cc1c[nH]cn1)c1cccs1 ZINC000077459639 641857532 /nfs/dbraw/zinc/85/75/32/641857532.db2.gz BXMGCPLYPQPFTD-JTQLQIEISA-N 1 2 237.328 1.685 20 0 BDADLO CCC(=O)CC[N@@H+]1CCN(CC)C(=O)C1(C)C ZINC000190343438 641859003 /nfs/dbraw/zinc/85/90/03/641859003.db2.gz VOKWJWDLUMHFTE-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CCC(=O)CC[N@H+]1CCN(CC)C(=O)C1(C)C ZINC000190343438 641859000 /nfs/dbraw/zinc/85/90/00/641859000.db2.gz VOKWJWDLUMHFTE-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CC[C@H](CO)Sc1nc(N)cc(C)[nH+]1 ZINC000916175878 641913931 /nfs/dbraw/zinc/91/39/31/641913931.db2.gz BJQZDYMUQFGTFG-SSDOTTSWSA-N 1 2 213.306 1.230 20 0 BDADLO COC[C@@H](C)C[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000192006665 641956139 /nfs/dbraw/zinc/95/61/39/641956139.db2.gz WDMMQKUGAKMBMM-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](c1nc(Cc2cnn(C)c2)no1)[NH+](C)C ZINC000923864763 642176229 /nfs/dbraw/zinc/17/62/29/642176229.db2.gz XNIBIYHOHVDYES-MRVPVSSYSA-N 1 2 235.291 1.017 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccccc2N(C)C)C1 ZINC001031474244 642188936 /nfs/dbraw/zinc/18/89/36/642188936.db2.gz DDQIYYKDSQXTBM-UHFFFAOYSA-N 1 2 247.342 1.187 20 0 BDADLO CCn1cnc2c1CC[N@H+](Cc1ccnn1C)C2 ZINC000933252849 642422057 /nfs/dbraw/zinc/42/20/57/642422057.db2.gz HZHWEXFYJGMGBR-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1cnc2c1CC[N@@H+](Cc1ccnn1C)C2 ZINC000933252849 642422066 /nfs/dbraw/zinc/42/20/66/642422066.db2.gz HZHWEXFYJGMGBR-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CSCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000308196831 642490881 /nfs/dbraw/zinc/49/08/81/642490881.db2.gz TWDNCTDKFMPNJW-SSDOTTSWSA-N 1 2 211.277 1.315 20 0 BDADLO CSCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000308196831 642490886 /nfs/dbraw/zinc/49/08/86/642490886.db2.gz TWDNCTDKFMPNJW-SSDOTTSWSA-N 1 2 211.277 1.315 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000921066352 642573910 /nfs/dbraw/zinc/57/39/10/642573910.db2.gz KALLEIWAPHCFIG-ZDUSSCGKSA-N 1 2 249.289 1.680 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](C)CCO)C(=O)OC ZINC000233035641 642648116 /nfs/dbraw/zinc/64/81/16/642648116.db2.gz UVTODZMOFULSSH-VHSXEESVSA-N 1 2 217.309 1.079 20 0 BDADLO CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968755716 642819233 /nfs/dbraw/zinc/81/92/33/642819233.db2.gz ZRTYXPDDCZYFPO-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000968755716 642819235 /nfs/dbraw/zinc/81/92/35/642819235.db2.gz ZRTYXPDDCZYFPO-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO CC(C)COC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000181476866 642876833 /nfs/dbraw/zinc/87/68/33/642876833.db2.gz JEXPAQJKZCPPBQ-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1=CCCC1 ZINC000181632457 642891882 /nfs/dbraw/zinc/89/18/82/642891882.db2.gz JRCICFFJLXAQKH-NSHDSACASA-N 1 2 239.315 1.361 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccs1 ZINC000069794756 642906544 /nfs/dbraw/zinc/90/65/44/642906544.db2.gz KCZDCZUGKNWVFI-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO C#CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181975618 642934679 /nfs/dbraw/zinc/93/46/79/642934679.db2.gz MTBUJDSXBKWPOI-GFCCVEGCSA-N 1 2 217.268 1.466 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)C1CC2(CC2)C1 ZINC001031967628 643122778 /nfs/dbraw/zinc/12/27/78/643122778.db2.gz XABFPHCZVPORJD-UHFFFAOYSA-N 1 2 240.322 1.194 20 0 BDADLO CCc1cc(N2CCC3(C2)OCCO3)nc(C)[nH+]1 ZINC000306613119 643198242 /nfs/dbraw/zinc/19/82/42/643198242.db2.gz NLTZGWLEVBJHSZ-UHFFFAOYSA-N 1 2 249.314 1.301 20 0 BDADLO CSCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073828062 643222249 /nfs/dbraw/zinc/22/22/49/643222249.db2.gz LZAJQPGXNLRBGR-VIFPVBQESA-N 1 2 227.333 1.141 20 0 BDADLO Cc1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000093529040 643338400 /nfs/dbraw/zinc/33/84/00/643338400.db2.gz ZTTCWDTVBUAUFC-UHFFFAOYSA-N 1 2 217.276 1.096 20 0 BDADLO COCCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000082777016 643378652 /nfs/dbraw/zinc/37/86/52/643378652.db2.gz UDFXXLICUWJTPM-SECBINFHSA-N 1 2 217.309 1.343 20 0 BDADLO CN(C)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000073172182 643407436 /nfs/dbraw/zinc/40/74/36/643407436.db2.gz MZKXXMUFEJYNGO-UHFFFAOYSA-N 1 2 244.298 1.588 20 0 BDADLO C#Cc1cccc(N(C)C(=O)Cn2cc[nH+]c2)c1 ZINC000073367058 643445545 /nfs/dbraw/zinc/44/55/45/643445545.db2.gz YJGSPEFUDUUEFF-UHFFFAOYSA-N 1 2 239.278 1.527 20 0 BDADLO CCC/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983325 643485689 /nfs/dbraw/zinc/48/56/89/643485689.db2.gz KZCLHYAXLKJRJG-PLNGDYQASA-N 1 2 219.288 1.623 20 0 BDADLO COC(OC)[C@@H](C)[NH2+]Cc1cscn1 ZINC000079608524 643491163 /nfs/dbraw/zinc/49/11/63/643491163.db2.gz AEDXAELCUMIMKH-SSDOTTSWSA-N 1 2 216.306 1.240 20 0 BDADLO CN(Cc1cccc(C(N)=O)c1)c1cccc[nH+]1 ZINC000048706766 643605883 /nfs/dbraw/zinc/60/58/83/643605883.db2.gz OAHAMSOYQXBUJV-UHFFFAOYSA-N 1 2 241.294 1.817 20 0 BDADLO Cn1nc2c(c1CNc1cccc[nH+]1)CCC2 ZINC000921561032 643611350 /nfs/dbraw/zinc/61/13/50/643611350.db2.gz BGOQKSMXGMPTFS-UHFFFAOYSA-N 1 2 228.299 1.916 20 0 BDADLO CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC000970921051 643618561 /nfs/dbraw/zinc/61/85/61/643618561.db2.gz OECWOELFKWXINZ-ZYHUDNBSSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC000970921051 643618568 /nfs/dbraw/zinc/61/85/68/643618568.db2.gz OECWOELFKWXINZ-ZYHUDNBSSA-N 1 2 248.330 1.090 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000084002401 643639095 /nfs/dbraw/zinc/63/90/95/643639095.db2.gz OAORWVPCIHRKRI-GULOHRGCSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000084002401 643639098 /nfs/dbraw/zinc/63/90/98/643639098.db2.gz OAORWVPCIHRKRI-GULOHRGCSA-N 1 2 227.304 1.217 20 0 BDADLO C[N@H+](CN1C(=O)CC2(CCCC2)C1=O)C1CC1 ZINC000073586196 643689233 /nfs/dbraw/zinc/68/92/33/643689233.db2.gz GMYVSVXCHQWXOB-UHFFFAOYSA-N 1 2 236.315 1.357 20 0 BDADLO C[N@@H+](CN1C(=O)CC2(CCCC2)C1=O)C1CC1 ZINC000073586196 643689236 /nfs/dbraw/zinc/68/92/36/643689236.db2.gz GMYVSVXCHQWXOB-UHFFFAOYSA-N 1 2 236.315 1.357 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC1(Cl)Cl ZINC000085987460 643880433 /nfs/dbraw/zinc/88/04/33/643880433.db2.gz IVALFLQEMQYJHD-ZETCQYMHSA-N 1 2 249.097 1.657 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CSC(C)(C)C ZINC000085988206 643880905 /nfs/dbraw/zinc/88/09/05/643880905.db2.gz JAPGBJQIKRSREQ-UHFFFAOYSA-N 1 2 242.344 1.995 20 0 BDADLO CCc1ncncc1C(=O)OCc1c[nH+]cn1C ZINC000085988436 643881356 /nfs/dbraw/zinc/88/13/56/643881356.db2.gz FSVFYXCCXSEFKB-UHFFFAOYSA-N 1 2 246.270 1.130 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@]12CCCO2 ZINC000922303572 643963408 /nfs/dbraw/zinc/96/34/08/643963408.db2.gz WFTOUFGWNQIUJO-GXFFZTMASA-N 1 2 249.314 1.170 20 0 BDADLO CC(C)OCCC(=O)OCc1ccc[nH+]c1N ZINC000922328041 643971780 /nfs/dbraw/zinc/97/17/80/643971780.db2.gz NBOIWJCFTLYMAQ-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1(O)CCCC1 ZINC000922338115 643974658 /nfs/dbraw/zinc/97/46/58/643974658.db2.gz HWBSNKMPBOIVRU-UHFFFAOYSA-N 1 2 236.271 1.012 20 0 BDADLO CCc1n[nH]cc1C(=O)OCc1ccc[nH+]c1N ZINC000922336667 643975546 /nfs/dbraw/zinc/97/55/46/643975546.db2.gz BPWAYIRDOKRUIZ-UHFFFAOYSA-N 1 2 246.270 1.306 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CCCOC2)c[nH+]1 ZINC000922411352 643988408 /nfs/dbraw/zinc/98/84/08/643988408.db2.gz ILEFHDBNQWRAFS-JTQLQIEISA-N 1 2 236.271 1.134 20 0 BDADLO CO[C@@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922401556 643988879 /nfs/dbraw/zinc/98/88/79/643988879.db2.gz GKVOZOKOOOYOJK-QMMMGPOBSA-N 1 2 224.260 1.132 20 0 BDADLO CCC[C@@H](O)CC(=O)OCc1ccc[nH+]c1N ZINC000922461633 643998512 /nfs/dbraw/zinc/99/85/12/643998512.db2.gz DTQGDZVRMKMRJF-SNVBAGLBSA-N 1 2 238.287 1.258 20 0 BDADLO Nc1ccc(COC(=O)/C=C\C2CC2)c[nH+]1 ZINC000922495214 644004461 /nfs/dbraw/zinc/00/44/61/644004461.db2.gz FBMDCDWYLKHFRE-XQRVVYSFSA-N 1 2 218.256 1.673 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CC23CCC3)c[nH+]1 ZINC000922527946 644016096 /nfs/dbraw/zinc/01/60/96/644016096.db2.gz KYKKCECWQWTCFD-JTQLQIEISA-N 1 2 232.283 1.897 20 0 BDADLO CC(Cl)(Cl)C(=O)OCc1ccc[nH+]c1N ZINC000922588896 644037430 /nfs/dbraw/zinc/03/74/30/644037430.db2.gz SPWHQTSLMVHYJW-UHFFFAOYSA-N 1 2 249.097 1.901 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCc1ccc[nH+]c1N ZINC000922635242 644048090 /nfs/dbraw/zinc/04/80/90/644048090.db2.gz QUBFMQCLXUBYGM-SECBINFHSA-N 1 2 226.251 1.701 20 0 BDADLO CCn1c[nH+]cc1CNc1nncn1C1CC1 ZINC000922660019 644062005 /nfs/dbraw/zinc/06/20/05/644062005.db2.gz RTFKKODVPKQTNA-UHFFFAOYSA-N 1 2 232.291 1.442 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CCC=CO2)c[nH+]1 ZINC000922674849 644065463 /nfs/dbraw/zinc/06/54/63/644065463.db2.gz DWLDVYHKQKKFFQ-SNVBAGLBSA-N 1 2 234.255 1.400 20 0 BDADLO CO[C@@H](C(=O)OCc1ccc[nH+]c1N)C1CC1 ZINC000922685044 644067471 /nfs/dbraw/zinc/06/74/71/644067471.db2.gz XVGFVTJFGOQBDW-SNVBAGLBSA-N 1 2 236.271 1.132 20 0 BDADLO CC[C@](C)(OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922699644 644070711 /nfs/dbraw/zinc/07/07/11/644070711.db2.gz YQPSWOSXFRIPRY-LBPRGKRZSA-N 1 2 238.287 1.522 20 0 BDADLO Cc1cn(C)nc1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922801522 644097269 /nfs/dbraw/zinc/09/72/69/644097269.db2.gz AJUMZLABWYEHEN-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)[nH]n1 ZINC000922814216 644099309 /nfs/dbraw/zinc/09/93/09/644099309.db2.gz UDZNGCMOAKIMBU-LBPRGKRZSA-N 1 2 235.331 1.991 20 0 BDADLO CCN(C(=O)c1cc(C)co1)C1C[NH+](CC)C1 ZINC000951210351 644203860 /nfs/dbraw/zinc/20/38/60/644203860.db2.gz YAIVETZWHXXDFX-UHFFFAOYSA-N 1 2 236.315 1.754 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cncc(O)c2)o1 ZINC000922975946 644205370 /nfs/dbraw/zinc/20/53/70/644205370.db2.gz OTJBEQMXDGUCSM-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cncc(O)c1 ZINC000922975533 644206240 /nfs/dbraw/zinc/20/62/40/644206240.db2.gz HWIKZDVGGCYPFN-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cnc[nH]1 ZINC000922981689 644215122 /nfs/dbraw/zinc/21/51/22/644215122.db2.gz IHNZHJRZSYPDKR-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1nccn1C ZINC000922987168 644217005 /nfs/dbraw/zinc/21/70/05/644217005.db2.gz AYOGGKOBWGJXQO-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO CONC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000194619985 644334877 /nfs/dbraw/zinc/33/48/77/644334877.db2.gz QCDZGOGIYJLRQC-UHFFFAOYSA-N 1 2 246.270 1.233 20 0 BDADLO C/C=C(/C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000081750461 644342605 /nfs/dbraw/zinc/34/26/05/644342605.db2.gz DTIWYBXXVVRHIE-XRHVUQDBSA-N 1 2 240.347 1.178 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)co1 ZINC000091928229 644641926 /nfs/dbraw/zinc/64/19/26/644641926.db2.gz HAJXCGJEJMOXBZ-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)co1 ZINC000091928229 644641928 /nfs/dbraw/zinc/64/19/28/644641928.db2.gz HAJXCGJEJMOXBZ-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000247730277 644646790 /nfs/dbraw/zinc/64/67/90/644646790.db2.gz VBYPBBZKFXCBCT-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000247730277 644646796 /nfs/dbraw/zinc/64/67/96/644646796.db2.gz VBYPBBZKFXCBCT-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1noc(C)c1CC(=O)OCCn1cc[nH+]c1 ZINC000771875964 644690193 /nfs/dbraw/zinc/69/01/93/644690193.db2.gz XAAUPKSWPDQNPW-UHFFFAOYSA-N 1 2 249.270 1.274 20 0 BDADLO C[C@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)OC(C)(C)C ZINC000094801695 644729893 /nfs/dbraw/zinc/72/98/93/644729893.db2.gz VLBLHLZSJCUBDG-GXFFZTMASA-N 1 2 243.347 1.875 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)/C=C/c1ccc[nH]1 ZINC000793239998 644802076 /nfs/dbraw/zinc/80/20/76/644802076.db2.gz BAPXYMMOMKMFGV-SNAWJCMRSA-N 1 2 245.282 1.547 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCc3n[nH]cc3C2)n1 ZINC000843144333 644862474 /nfs/dbraw/zinc/86/24/74/644862474.db2.gz AREUBGRPTFJSLD-MRVPVSSYSA-N 1 2 247.302 1.175 20 0 BDADLO CC(C)[NH+]1CCN(C(=O)C(C)(F)F)CC1 ZINC000808455978 644879075 /nfs/dbraw/zinc/87/90/75/644879075.db2.gz YUTDFNXUAAOKSM-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO CS[C@@H]1CC[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000304536619 644916201 /nfs/dbraw/zinc/91/62/01/644916201.db2.gz VDWHXWVSOVQOIG-JGVFFNPUSA-N 1 2 239.348 1.458 20 0 BDADLO CS[C@@H]1CC[C@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000304536619 644916206 /nfs/dbraw/zinc/91/62/06/644916206.db2.gz VDWHXWVSOVQOIG-JGVFFNPUSA-N 1 2 239.348 1.458 20 0 BDADLO O=C(NOCCC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000817399659 644977086 /nfs/dbraw/zinc/97/70/86/644977086.db2.gz VPTVDCKFYACARX-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO Cc1cc(CNC(=S)NC2CC2)cc(C)[nH+]1 ZINC000817560412 644988805 /nfs/dbraw/zinc/98/88/05/644988805.db2.gz MYFUPWDZIIQXLZ-UHFFFAOYSA-N 1 2 235.356 1.825 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1C=CCC1 ZINC000834324219 645137902 /nfs/dbraw/zinc/13/79/02/645137902.db2.gz ZWVWHHSMYWDDEM-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO COCc1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000842040637 645237326 /nfs/dbraw/zinc/23/73/26/645237326.db2.gz JXPFYNJWMQSUKL-UHFFFAOYSA-N 1 2 238.287 1.214 20 0 BDADLO CCCc1ncc(C[NH2+][C@@H](C)c2cnnn2C)o1 ZINC000926536731 645263175 /nfs/dbraw/zinc/26/31/75/645263175.db2.gz HQMOWFVZKKBJNH-VIFPVBQESA-N 1 2 249.318 1.606 20 0 BDADLO COc1cccnc1C[NH2+][C@@H](C)c1cnnn1C ZINC000926549054 645271054 /nfs/dbraw/zinc/27/10/54/645271054.db2.gz GILIYMYBSQRVCF-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)c2cnnn2C)c1 ZINC000926659391 645342648 /nfs/dbraw/zinc/34/26/48/645342648.db2.gz HUMIMNWYVBGTSG-SECBINFHSA-N 1 2 247.302 1.530 20 0 BDADLO Cc1ncccc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926759723 645409472 /nfs/dbraw/zinc/40/94/72/645409472.db2.gz FTDQVYMBUYHRMN-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)no1 ZINC000848926666 645445156 /nfs/dbraw/zinc/44/51/56/645445156.db2.gz VLQNTRSNIYBDJI-KBPBESRZSA-N 1 2 244.294 1.731 20 0 BDADLO COCc1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857437862 645558664 /nfs/dbraw/zinc/55/86/64/645558664.db2.gz IHHQLQIXOYFAAB-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO Cc1c(F)cccc1C(=O)NCc1c[nH+]cn1C ZINC000857507310 645582108 /nfs/dbraw/zinc/58/21/08/645582108.db2.gz PMMFFLLXRVCOLR-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1nccn1C1CC1 ZINC000857540036 645604603 /nfs/dbraw/zinc/60/46/03/645604603.db2.gz QIJXEADWEVXHDX-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927494963 645627958 /nfs/dbraw/zinc/62/79/58/645627958.db2.gz MUPIULOCDREBOO-HOSYDEDBSA-N 1 2 233.315 1.505 20 0 BDADLO CCOC1(C(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000927777725 645655789 /nfs/dbraw/zinc/65/57/89/645655789.db2.gz MNHHKINRLMRDEN-UHFFFAOYSA-N 1 2 249.314 1.239 20 0 BDADLO Nc1ccc(CNC(=O)C2CC3(CC3)C2)c[nH+]1 ZINC000927776961 645656315 /nfs/dbraw/zinc/65/63/15/645656315.db2.gz HYAIFDHJXDDOTN-UHFFFAOYSA-N 1 2 231.299 1.470 20 0 BDADLO CCOCC1(C(=O)NCc2ccc(N)[nH+]c2)CC1 ZINC000927776896 645656737 /nfs/dbraw/zinc/65/67/37/645656737.db2.gz FEAWELHVZBBLFJ-UHFFFAOYSA-N 1 2 249.314 1.097 20 0 BDADLO C([C@H]1CC2(CCC2)CO1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491680 645815070 /nfs/dbraw/zinc/81/50/70/645815070.db2.gz QIPIBAXRUAGTJK-SNVBAGLBSA-N 1 2 248.330 1.122 20 0 BDADLO C([C@H]1CC2(CCC2)CO1)[N@H+]1CCc2nn[nH]c2C1 ZINC000878491680 645815073 /nfs/dbraw/zinc/81/50/73/645815073.db2.gz QIPIBAXRUAGTJK-SNVBAGLBSA-N 1 2 248.330 1.122 20 0 BDADLO CCc1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C)s1 ZINC000928567681 645827721 /nfs/dbraw/zinc/82/77/21/645827721.db2.gz YFSBFERKQBZNNE-QMMMGPOBSA-N 1 2 239.344 1.139 20 0 BDADLO CCc1ncc(C(=O)NC[C@@H]2CC[N@H+]2C)s1 ZINC000928567681 645827725 /nfs/dbraw/zinc/82/77/25/645827725.db2.gz YFSBFERKQBZNNE-QMMMGPOBSA-N 1 2 239.344 1.139 20 0 BDADLO C[C@H](c1nc([C@@H]2CCOC[C@H]2C)no1)[NH+](C)C ZINC000924054886 645973160 /nfs/dbraw/zinc/97/31/60/645973160.db2.gz XNDWJOBFEUGBLX-OPRDCNLKSA-N 1 2 239.319 1.832 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(CCF)c2)[C@@H](C)CO1 ZINC000929181778 645991202 /nfs/dbraw/zinc/99/12/02/645991202.db2.gz HFNOTNYBHNFQFM-WDEREUQCSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)[C@@H](C)CO1 ZINC000929181778 645991206 /nfs/dbraw/zinc/99/12/06/645991206.db2.gz HFNOTNYBHNFQFM-WDEREUQCSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnn(CCF)c1 ZINC000929181776 645992127 /nfs/dbraw/zinc/99/21/27/645992127.db2.gz HFNOTNYBHNFQFM-MNOVXSKESA-N 1 2 241.310 1.462 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnn(CCF)c1 ZINC000929181776 645992130 /nfs/dbraw/zinc/99/21/30/645992130.db2.gz HFNOTNYBHNFQFM-MNOVXSKESA-N 1 2 241.310 1.462 20 0 BDADLO Cc1nnsc1[C@H](C)[NH+]1CCSCC1 ZINC000929276078 646056500 /nfs/dbraw/zinc/05/65/00/646056500.db2.gz ICOOVSYGGKQFSK-QMMMGPOBSA-N 1 2 229.374 1.956 20 0 BDADLO c1cc([C@@H]2CCC[N@@H+](Cc3nncs3)C2)n[nH]1 ZINC000929295007 646067393 /nfs/dbraw/zinc/06/73/93/646067393.db2.gz APTLFBKFCJLZEE-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO c1cc([C@@H]2CCC[N@H+](Cc3nncs3)C2)n[nH]1 ZINC000929295007 646067395 /nfs/dbraw/zinc/06/73/95/646067395.db2.gz APTLFBKFCJLZEE-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO C[N@H+](CCO[C@H]1CCOC1)Cc1cscn1 ZINC000929342026 646087959 /nfs/dbraw/zinc/08/79/59/646087959.db2.gz BLVCGXMXTHSYRZ-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1cscn1 ZINC000929342026 646087963 /nfs/dbraw/zinc/08/79/63/646087963.db2.gz BLVCGXMXTHSYRZ-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cnn(C)c1 ZINC000924753347 646099984 /nfs/dbraw/zinc/09/99/84/646099984.db2.gz RXNYVFXVWVOJPW-NSHDSACASA-N 1 2 246.314 1.884 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cnn(C)n1 ZINC000925088593 646180273 /nfs/dbraw/zinc/18/02/73/646180273.db2.gz LTYCNPJJJTVFIE-ZWNOBZJWSA-N 1 2 246.314 1.199 20 0 BDADLO COC(=O)CC[N@H+](Cc1nncs1)C(C)C ZINC000929636108 646213966 /nfs/dbraw/zinc/21/39/66/646213966.db2.gz RIKVTBPGQAOEIE-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO COC(=O)CC[N@@H+](Cc1nncs1)C(C)C ZINC000929636108 646213976 /nfs/dbraw/zinc/21/39/76/646213976.db2.gz RIKVTBPGQAOEIE-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO CC[N@H+](Cc1nnc(OC)s1)CC(C)(C)O ZINC000929643972 646218933 /nfs/dbraw/zinc/21/89/33/646218933.db2.gz LEJFNDDVKKDTJN-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO CC[N@@H+](Cc1nnc(OC)s1)CC(C)(C)O ZINC000929643972 646218937 /nfs/dbraw/zinc/21/89/37/646218937.db2.gz LEJFNDDVKKDTJN-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)CC(C)(C)O ZINC000929657147 646224962 /nfs/dbraw/zinc/22/49/62/646224962.db2.gz TXSUGGPIMNXALS-UHFFFAOYSA-N 1 2 230.258 1.563 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)CC(C)(C)O ZINC000929657147 646224973 /nfs/dbraw/zinc/22/49/73/646224973.db2.gz TXSUGGPIMNXALS-UHFFFAOYSA-N 1 2 230.258 1.563 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2nncs2)C1 ZINC000929692421 646246191 /nfs/dbraw/zinc/24/61/91/646246191.db2.gz DDHRQMCTDXQSTR-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000929692421 646246195 /nfs/dbraw/zinc/24/61/95/646246195.db2.gz DDHRQMCTDXQSTR-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CCC=CCC1 ZINC000925388126 646256035 /nfs/dbraw/zinc/25/60/35/646256035.db2.gz UIOIOCPKVANZQT-UHFFFAOYSA-N 1 2 219.288 1.567 20 0 BDADLO COc1nnc(C[NH+]2C[C@@H](C)[C@H](C)C2)s1 ZINC000929753629 646286030 /nfs/dbraw/zinc/28/60/30/646286030.db2.gz CUEQVSWLFKUINO-HTQZYQBOSA-N 1 2 227.333 1.635 20 0 BDADLO CC[C@H](CO)[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000929760412 646294776 /nfs/dbraw/zinc/29/47/76/646294776.db2.gz BOICJNASJJISNB-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](CO)[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000929760412 646294780 /nfs/dbraw/zinc/29/47/80/646294780.db2.gz BOICJNASJJISNB-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO COC/C(C)=C/C[NH2+]C(C)(C)c1noc(C)n1 ZINC000929968188 646380092 /nfs/dbraw/zinc/38/00/92/646380092.db2.gz LYWMGMFDKUJSOX-RMKNXTFCSA-N 1 2 239.319 1.795 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)nn1 ZINC000925636368 646380180 /nfs/dbraw/zinc/38/01/80/646380180.db2.gz YDQUGEVTSUNRQP-NXEZZACHSA-N 1 2 248.334 1.994 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)nn1 ZINC000925636371 646380243 /nfs/dbraw/zinc/38/02/43/646380243.db2.gz YDQUGEVTSUNRQP-ZJUUUORDSA-N 1 2 248.334 1.994 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000930012922 646394221 /nfs/dbraw/zinc/39/42/21/646394221.db2.gz FGMJNPOLZRTFAM-KOLCDFICSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000930012922 646394229 /nfs/dbraw/zinc/39/42/29/646394229.db2.gz FGMJNPOLZRTFAM-KOLCDFICSA-N 1 2 239.319 1.429 20 0 BDADLO C[N@H+](Cc1nncs1)[C@@H](CO)C(C)(C)C ZINC000930056849 646415063 /nfs/dbraw/zinc/41/50/63/646415063.db2.gz IUMVFYANUGUVSY-QMMMGPOBSA-N 1 2 229.349 1.377 20 0 BDADLO C[N@@H+](Cc1nncs1)[C@@H](CO)C(C)(C)C ZINC000930056849 646415070 /nfs/dbraw/zinc/41/50/70/646415070.db2.gz IUMVFYANUGUVSY-QMMMGPOBSA-N 1 2 229.349 1.377 20 0 BDADLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000930060650 646415662 /nfs/dbraw/zinc/41/56/62/646415662.db2.gz NKDJUFITAUWXNX-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000930060650 646415665 /nfs/dbraw/zinc/41/56/65/646415665.db2.gz NKDJUFITAUWXNX-DTWKUNHWSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](CCc1ccns1)Cc1ncc[nH]1 ZINC000930120879 646443368 /nfs/dbraw/zinc/44/33/68/646443368.db2.gz KEBCCKBQLLXOCM-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1ccns1)Cc1ncc[nH]1 ZINC000930120879 646443372 /nfs/dbraw/zinc/44/33/72/646443372.db2.gz KEBCCKBQLLXOCM-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cncc1F ZINC000930126320 646449058 /nfs/dbraw/zinc/44/90/58/646449058.db2.gz ROKUVKCKULNYOG-JGVFFNPUSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cncc1F ZINC000930126320 646449064 /nfs/dbraw/zinc/44/90/64/646449064.db2.gz ROKUVKCKULNYOG-JGVFFNPUSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cncc1F ZINC000930126318 646449152 /nfs/dbraw/zinc/44/91/52/646449152.db2.gz ROKUVKCKULNYOG-HTQZYQBOSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cncc1F ZINC000930126318 646449157 /nfs/dbraw/zinc/44/91/57/646449157.db2.gz ROKUVKCKULNYOG-HTQZYQBOSA-N 1 2 228.242 1.315 20 0 BDADLO COC[C@](C)([NH2+]CC1CC(C)C1)C(=O)OC ZINC000930156081 646463783 /nfs/dbraw/zinc/46/37/83/646463783.db2.gz UBBLHLGTHRIEQZ-CBINBANVSA-N 1 2 229.320 1.200 20 0 BDADLO CC[C@@H]1C[C@H]1C[NH2+][C@](C)(COC)C(=O)OC ZINC000930156060 646465350 /nfs/dbraw/zinc/46/53/50/646465350.db2.gz TVUNFUFJUIJEOK-JFGNBEQYSA-N 1 2 229.320 1.200 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000930162597 646467522 /nfs/dbraw/zinc/46/75/22/646467522.db2.gz PJRYPXZHBHAUMP-DTWKUNHWSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nsc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000930162597 646467525 /nfs/dbraw/zinc/46/75/25/646467525.db2.gz PJRYPXZHBHAUMP-DTWKUNHWSA-N 1 2 241.360 1.474 20 0 BDADLO COCC1(C)CC[NH+](Cc2nncs2)CC1 ZINC000930179715 646482310 /nfs/dbraw/zinc/48/23/10/646482310.db2.gz OKUGXRBLEOFSDG-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO OCC[C@@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC000930190811 646484566 /nfs/dbraw/zinc/48/45/66/646484566.db2.gz LRADMHQLQIFIJI-LLVKDONJSA-N 1 2 249.339 1.751 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CNOC1)c1cccnc1Cl ZINC000925864872 646516949 /nfs/dbraw/zinc/51/69/49/646516949.db2.gz UMFJHUICUBWRPZ-HTQZYQBOSA-N 1 2 227.695 1.289 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cnn(C)n1 ZINC000926128908 646581019 /nfs/dbraw/zinc/58/10/19/646581019.db2.gz YOUOSVCQNNACBH-DTWKUNHWSA-N 1 2 249.293 1.761 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000926162885 646587812 /nfs/dbraw/zinc/58/78/12/646587812.db2.gz YWCOZGNLGXICHH-SSDOTTSWSA-N 1 2 241.291 1.180 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)c1ncco1)[C@@H]1CCCO1 ZINC000926319993 646615817 /nfs/dbraw/zinc/61/58/17/646615817.db2.gz JNJPDSIGVOJVPD-DCAQKATOSA-N 1 2 240.303 1.519 20 0 BDADLO CC[C@H]1COC[C@@H]1[NH2+]C1(C(F)F)CC1 ZINC000926364367 646619944 /nfs/dbraw/zinc/61/99/44/646619944.db2.gz HTMWPELJCUVJFU-YUMQZZPRSA-N 1 2 205.248 1.799 20 0 BDADLO [NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)C(F)F ZINC000724741834 711609696 /nfs/dbraw/zinc/60/96/96/711609696.db2.gz ZMOQTNPCJAFBGX-VIFPVBQESA-N 1 2 246.232 1.424 20 0 BDADLO CCC(CC)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724727199 711609861 /nfs/dbraw/zinc/60/98/61/711609861.db2.gz KGPVCBCRLQGESA-SSDOTTSWSA-N 1 2 208.252 1.274 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@H]1C ZINC000724759545 711610828 /nfs/dbraw/zinc/61/08/28/711610828.db2.gz QXPDHQKGRIEDEP-KATARQTJSA-N 1 2 248.317 1.910 20 0 BDADLO CCCCN(CC)C(=O)C[C@H]([NH3+])C(F)F ZINC000724727555 711610105 /nfs/dbraw/zinc/61/01/05/711610105.db2.gz NVVOTGVUEWSDOO-QMMMGPOBSA-N 1 2 222.279 1.618 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C(F)F)no2)[C@H](C)O1 ZINC000895724567 711781314 /nfs/dbraw/zinc/78/13/14/711781314.db2.gz ICIVJLUSGWPQSG-DSYKOEDSSA-N 1 2 247.245 1.663 20 0 BDADLO CO[C@H]1C[C@@H](CSc2nc(N)cc(C)[nH+]2)C1 ZINC000721905165 711813684 /nfs/dbraw/zinc/81/36/84/711813684.db2.gz BBEBPQPHGPUDIK-DTORHVGOSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@H](CCCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000087359970 711834942 /nfs/dbraw/zinc/83/49/42/711834942.db2.gz NLINXLNLHPTFIM-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO CC(C)=CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000701222423 712018563 /nfs/dbraw/zinc/01/85/63/712018563.db2.gz WPTZKYRPVTUMQJ-UHFFFAOYSA-N 1 2 221.304 1.701 20 0 BDADLO CC[N@H+](C)Cc1cn(C)nc1Br ZINC000713818733 712381261 /nfs/dbraw/zinc/38/12/61/712381261.db2.gz WZYXAUAYWXGELA-UHFFFAOYSA-N 1 2 232.125 1.634 20 0 BDADLO CC[N@@H+](C)Cc1cn(C)nc1Br ZINC000713818733 712381263 /nfs/dbraw/zinc/38/12/63/712381263.db2.gz WZYXAUAYWXGELA-UHFFFAOYSA-N 1 2 232.125 1.634 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OC/C=C\Cl)C1 ZINC000805475793 712414706 /nfs/dbraw/zinc/41/47/06/712414706.db2.gz XOORFJKLUBPAHH-ZBJFTSOASA-N 1 2 233.695 1.003 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OC/C=C\Cl)C1 ZINC000805475793 712414708 /nfs/dbraw/zinc/41/47/08/712414708.db2.gz XOORFJKLUBPAHH-ZBJFTSOASA-N 1 2 233.695 1.003 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)C(=O)OC ZINC000713599293 712466823 /nfs/dbraw/zinc/46/68/23/712466823.db2.gz KBUYSTINMIANHP-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](Cc1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000036994156 712528936 /nfs/dbraw/zinc/52/89/36/712528936.db2.gz IUEBXZUQCYORIG-SECBINFHSA-N 1 2 205.261 1.724 20 0 BDADLO Cc1ncsc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715896082 712540663 /nfs/dbraw/zinc/54/06/63/712540663.db2.gz VLGUSSDEXKXKOW-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000716309243 712554024 /nfs/dbraw/zinc/55/40/24/712554024.db2.gz IUCWQJVKWXBLKQ-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000716309243 712554026 /nfs/dbraw/zinc/55/40/26/712554026.db2.gz IUCWQJVKWXBLKQ-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000716855220 712578854 /nfs/dbraw/zinc/57/88/54/712578854.db2.gz IBVDYRKGTJYMRJ-GARJFASQSA-N 1 2 245.363 1.856 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)C1CCC1)C(=O)OC(C)(C)C ZINC000717640897 712662832 /nfs/dbraw/zinc/66/28/32/712662832.db2.gz BLHVPBSCGAGQAZ-ONGXEEELSA-N 1 2 243.347 1.467 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142471 712713543 /nfs/dbraw/zinc/71/35/43/712713543.db2.gz COVTXWJIQLOIBC-WDEREUQCSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142471 712713545 /nfs/dbraw/zinc/71/35/45/712713545.db2.gz COVTXWJIQLOIBC-WDEREUQCSA-N 1 2 238.335 1.349 20 0 BDADLO CNc1cc(NC[C@@H](OC)C(C)C)[nH+]cn1 ZINC000381262619 710615186 /nfs/dbraw/zinc/61/51/86/710615186.db2.gz FGUJLAPRACADGP-SECBINFHSA-N 1 2 224.308 1.023 20 0 BDADLO COC(=O)N1CC(C)([NH2+]Cc2cscn2)C1 ZINC000381348299 710625600 /nfs/dbraw/zinc/62/56/00/710625600.db2.gz ZTGYQQMPGUYPBF-UHFFFAOYSA-N 1 2 241.316 1.073 20 0 BDADLO Cc1n[nH]c(C)c1C[NH2+]Cc1nonc1C ZINC000381582714 710658863 /nfs/dbraw/zinc/65/88/63/710658863.db2.gz GAGVHKASOUZHGG-UHFFFAOYSA-N 1 2 221.264 1.008 20 0 BDADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001039492399 710739056 /nfs/dbraw/zinc/73/90/56/710739056.db2.gz CCBCTVWSZBSLGH-KHQOXSAWSA-N 1 2 242.750 1.824 20 0 BDADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001039492399 710739061 /nfs/dbraw/zinc/73/90/61/710739061.db2.gz CCBCTVWSZBSLGH-KHQOXSAWSA-N 1 2 242.750 1.824 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723611894 710728605 /nfs/dbraw/zinc/72/86/05/710728605.db2.gz ZCUUVZPSIKEFJJ-GMTAPVOTSA-N 1 2 236.319 1.100 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723611894 710728607 /nfs/dbraw/zinc/72/86/07/710728607.db2.gz ZCUUVZPSIKEFJJ-GMTAPVOTSA-N 1 2 236.319 1.100 20 0 BDADLO CNc1cc(N2CCO[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000380493452 712901381 /nfs/dbraw/zinc/90/13/81/712901381.db2.gz BGVFEDIKBCEEJT-DTWKUNHWSA-N 1 2 222.292 1.132 20 0 BDADLO CNc1cc(N2CCO[C@H](C)[C@@H]2C)[nH+]cn1 ZINC000380493452 712901382 /nfs/dbraw/zinc/90/13/82/712901382.db2.gz BGVFEDIKBCEEJT-DTWKUNHWSA-N 1 2 222.292 1.132 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001040020579 710757034 /nfs/dbraw/zinc/75/70/34/710757034.db2.gz NWTRCCFARXIYOK-KWQFWETISA-N 1 2 234.303 1.206 20 0 BDADLO CN(C(=O)c1ccco1)C1C[NH+](CCCF)C1 ZINC001042417684 710783233 /nfs/dbraw/zinc/78/32/33/710783233.db2.gz BKHXHFUKICHKSP-UHFFFAOYSA-N 1 2 240.278 1.395 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)c2nccs2)C1 ZINC001044082667 710818099 /nfs/dbraw/zinc/81/80/99/710818099.db2.gz BDNHBHDDGDQFKS-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccc(OC)o2)C1 ZINC001044086536 710818981 /nfs/dbraw/zinc/81/89/81/710818981.db2.gz AQQPQCUDOZWAAL-UHFFFAOYSA-N 1 2 238.287 1.064 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2nocc2C)C1 ZINC001046091852 710847509 /nfs/dbraw/zinc/84/75/09/710847509.db2.gz UWXIOGRMKOZMKY-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2nocc2C)C1 ZINC001046091852 710847512 /nfs/dbraw/zinc/84/75/12/710847512.db2.gz UWXIOGRMKOZMKY-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC001050795589 710955821 /nfs/dbraw/zinc/95/58/21/710955821.db2.gz RFUUFTOCXFUQEA-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC001050795589 710955823 /nfs/dbraw/zinc/95/58/23/710955823.db2.gz RFUUFTOCXFUQEA-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001068749978 711024499 /nfs/dbraw/zinc/02/44/99/711024499.db2.gz NWTRCCFARXIYOK-GZMMTYOYSA-N 1 2 234.303 1.206 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000389807582 711089102 /nfs/dbraw/zinc/08/91/02/711089102.db2.gz ASWKIQFLBNYOSC-LBPRGKRZSA-N 1 2 243.314 1.377 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000390194608 711108641 /nfs/dbraw/zinc/10/86/41/711108641.db2.gz OSNPENSPPNSTMG-SNVBAGLBSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@@]1([NH2+]CC[C@H]2CCCCO2)CCOC1=O ZINC000390626648 711129542 /nfs/dbraw/zinc/12/95/42/711129542.db2.gz JYMWCZFSSBVMJL-ZYHUDNBSSA-N 1 2 227.304 1.241 20 0 BDADLO CCC[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)OCC ZINC000390752502 711132733 /nfs/dbraw/zinc/13/27/33/711132733.db2.gz DRVXJNGKMWQXEU-QWRGUYRKSA-N 1 2 229.320 1.079 20 0 BDADLO NC(=O)c1coc(C[NH2+]Cc2ccoc2)c1 ZINC000390819971 711136550 /nfs/dbraw/zinc/13/65/50/711136550.db2.gz VGILWKQXLQOIRU-UHFFFAOYSA-N 1 2 220.228 1.261 20 0 BDADLO COC1(C[NH2+][C@H]2CCOC2=O)CCCCC1 ZINC000393758424 711172395 /nfs/dbraw/zinc/17/23/95/711172395.db2.gz JOQNDCCCBCAYEG-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)C(=O)OC(C)(C)C ZINC000393989737 711182166 /nfs/dbraw/zinc/18/21/66/711182166.db2.gz QHOJWFSVJHBOCX-BDAKNGLRSA-N 1 2 231.336 1.466 20 0 BDADLO CCN(CC)C(=O)C[NH2+]Cc1ncc(C)s1 ZINC000394718879 711197008 /nfs/dbraw/zinc/19/70/08/711197008.db2.gz IPNFMVIKHPBBAH-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](C)c1nccnc1C ZINC000397953504 711398071 /nfs/dbraw/zinc/39/80/71/711398071.db2.gz QOECMHMZIVUDJX-JTQLQIEISA-N 1 2 232.287 1.932 20 0 BDADLO C[C@H]1C[N@H+](Cc2scnc2Cl)CC[C@@H]1O ZINC000721929764 710692229 /nfs/dbraw/zinc/69/22/29/710692229.db2.gz PZAZZJKHMSTLBD-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2scnc2Cl)CC[C@@H]1O ZINC000721929764 710692231 /nfs/dbraw/zinc/69/22/31/710692231.db2.gz PZAZZJKHMSTLBD-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1ccccc1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724758202 710746151 /nfs/dbraw/zinc/74/61/51/710746151.db2.gz ADDURUNXAILYGT-SNVBAGLBSA-N 1 2 242.269 1.594 20 0 BDADLO Cc1cccc(N(C)C(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC000724763550 710746022 /nfs/dbraw/zinc/74/60/22/710746022.db2.gz XZIYLGYIPAOARK-SNVBAGLBSA-N 1 2 242.269 1.940 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)C2CCC2)C1 ZINC001042399881 710781174 /nfs/dbraw/zinc/78/11/74/710781174.db2.gz XNDWYOGWNNIOST-UHFFFAOYSA-N 1 2 236.359 1.895 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)nc[nH+]1 ZINC000384554724 710918347 /nfs/dbraw/zinc/91/83/47/710918347.db2.gz GTLIPKDJJYPZSF-HRDYMLBCSA-N 1 2 222.292 1.496 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)[nH+]cn1 ZINC000384554724 710918348 /nfs/dbraw/zinc/91/83/48/710918348.db2.gz GTLIPKDJJYPZSF-HRDYMLBCSA-N 1 2 222.292 1.496 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)[nH]1 ZINC000392428563 711146822 /nfs/dbraw/zinc/14/68/22/711146822.db2.gz ZYHIAALBXHGEBF-SECBINFHSA-N 1 2 241.298 1.836 20 0 BDADLO Nc1ccc(CSc2nnnn2C2CC2)c[nH+]1 ZINC000050834222 711503525 /nfs/dbraw/zinc/50/35/25/711503525.db2.gz UHAFRHYBOHVXOW-UHFFFAOYSA-N 1 2 248.315 1.278 20 0 BDADLO Cc1cc(N2CCOCC2)nc(C2CCC2)[nH+]1 ZINC000891401932 711511727 /nfs/dbraw/zinc/51/17/27/711511727.db2.gz MJYLGLDQQQTCJW-UHFFFAOYSA-N 1 2 233.315 1.889 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CC2)OCCO3)co1 ZINC000723623096 711526893 /nfs/dbraw/zinc/52/68/93/711526893.db2.gz HGSUOPRFNUDYPX-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO CNc1cc(NCCOCC(F)F)[nH+]cn1 ZINC000234506195 711558069 /nfs/dbraw/zinc/55/80/69/711558069.db2.gz STZHNCIWFWHDHS-UHFFFAOYSA-N 1 2 232.234 1.212 20 0 BDADLO CC(C)CN(C(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC000724753753 711610596 /nfs/dbraw/zinc/61/05/96/711610596.db2.gz YPJKGBSTNCSZFI-VIFPVBQESA-N 1 2 234.290 1.616 20 0 BDADLO Cc1[nH]c(CN(C)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000724774322 711611968 /nfs/dbraw/zinc/61/19/68/711611968.db2.gz GBXBMGLEDGDBDV-SNVBAGLBSA-N 1 2 209.293 1.247 20 0 BDADLO CCCCOC(=O)C[NH2+]C1(CO)CCCC1 ZINC000053069508 711651747 /nfs/dbraw/zinc/65/17/47/711651747.db2.gz BQYMSMJVKFISTK-UHFFFAOYSA-N 1 2 229.320 1.224 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)cn2)c(C)o1 ZINC000309621893 711654914 /nfs/dbraw/zinc/65/49/14/711654914.db2.gz DOTLRLQOZXUDBV-UHFFFAOYSA-N 1 2 219.288 1.920 20 0 BDADLO CC[C@@](C)(O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000311232240 711683071 /nfs/dbraw/zinc/68/30/71/711683071.db2.gz JTBNTTDUSWZJQX-GFCCVEGCSA-N 1 2 249.318 1.182 20 0 BDADLO CC(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001068271183 711689874 /nfs/dbraw/zinc/68/98/74/711689874.db2.gz LBGXLQDRHYVOOV-CABZTGNLSA-N 1 2 248.330 1.454 20 0 BDADLO CCOC(=O)C[N@H+](CCC(=O)CC)C(C)C ZINC000190208259 711706354 /nfs/dbraw/zinc/70/63/54/711706354.db2.gz GUVIDBQOULIASM-UHFFFAOYSA-N 1 2 229.320 1.629 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(=O)CC)C(C)C ZINC000190208259 711706356 /nfs/dbraw/zinc/70/63/56/711706356.db2.gz GUVIDBQOULIASM-UHFFFAOYSA-N 1 2 229.320 1.629 20 0 BDADLO CCNC(=O)C(C)(C)[NH2+]C/C(Cl)=C\Cl ZINC000313058142 711712906 /nfs/dbraw/zinc/71/29/06/711712906.db2.gz KKPHREYOGVLVEE-FNORWQNLSA-N 1 2 239.146 1.810 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000335196630 711721268 /nfs/dbraw/zinc/72/12/68/711721268.db2.gz WGSYITMQJNFTFQ-CYBMUJFWSA-N 1 2 241.294 1.376 20 0 BDADLO CC(C)OC(=O)NCCc1cn(C)c[nH+]1 ZINC000313447819 711726286 /nfs/dbraw/zinc/72/62/86/711726286.db2.gz UDXYHZWDERPOFJ-UHFFFAOYSA-N 1 2 211.265 1.097 20 0 BDADLO Cc1csc(C[NH2+]Cc2cnn(C)c2)n1 ZINC000038054755 711755419 /nfs/dbraw/zinc/75/54/19/711755419.db2.gz SOZCBQGHSDFPMR-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CNc1cc(N2CC[C@H](C(C)(C)O)C2)nc[nH+]1 ZINC000721778322 711769324 /nfs/dbraw/zinc/76/93/24/711769324.db2.gz QGIBHPBQTVIVSH-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CC[C@H](C(C)(C)O)C2)[nH+]cn1 ZINC000721778322 711769325 /nfs/dbraw/zinc/76/93/25/711769325.db2.gz QGIBHPBQTVIVSH-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000894532093 711771717 /nfs/dbraw/zinc/77/17/17/711771717.db2.gz ACHIQALOQLWAFR-GXFFZTMASA-N 1 2 235.331 1.347 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000894532093 711771718 /nfs/dbraw/zinc/77/17/18/711771718.db2.gz ACHIQALOQLWAFR-GXFFZTMASA-N 1 2 235.331 1.347 20 0 BDADLO CCc1nc(C(=O)N(C)C2C[NH+](CC)C2)co1 ZINC001042640531 711792150 /nfs/dbraw/zinc/79/21/50/711792150.db2.gz XKTVLVDELWRSLW-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229572536 711838246 /nfs/dbraw/zinc/83/82/46/711838246.db2.gz SXZOQCPYVYQXOP-WDEREUQCSA-N 1 2 229.320 1.032 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229572536 711838247 /nfs/dbraw/zinc/83/82/47/711838247.db2.gz SXZOQCPYVYQXOP-WDEREUQCSA-N 1 2 229.320 1.032 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001032845028 711961434 /nfs/dbraw/zinc/96/14/34/711961434.db2.gz RWPWLMHJHHMSFK-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001032845028 711961436 /nfs/dbraw/zinc/96/14/36/711961436.db2.gz RWPWLMHJHHMSFK-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H](F)C1 ZINC000701906336 712031969 /nfs/dbraw/zinc/03/19/69/712031969.db2.gz ZZQUPGTUWSTWFN-BSKOKIOFSA-N 1 2 215.268 1.540 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@H](F)C1 ZINC000701906336 712031971 /nfs/dbraw/zinc/03/19/71/712031971.db2.gz ZZQUPGTUWSTWFN-BSKOKIOFSA-N 1 2 215.268 1.540 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(N)nn1 ZINC000703953488 712092367 /nfs/dbraw/zinc/09/23/67/712092367.db2.gz PUUNGEQYNMRBLU-GFCCVEGCSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(N)nn1 ZINC000703953488 712092369 /nfs/dbraw/zinc/09/23/69/712092369.db2.gz PUUNGEQYNMRBLU-GFCCVEGCSA-N 1 2 236.319 1.060 20 0 BDADLO CNc1cc(N2CCC[C@@H]2C(C)(C)O)nc[nH+]1 ZINC000707386149 712170221 /nfs/dbraw/zinc/17/02/21/712170221.db2.gz IBQSUVDGXJBVIK-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N2CCC[C@@H]2C(C)(C)O)[nH+]cn1 ZINC000707386149 712170223 /nfs/dbraw/zinc/17/02/23/712170223.db2.gz IBQSUVDGXJBVIK-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C)cn2)n(C)n1 ZINC000709917389 712233081 /nfs/dbraw/zinc/23/30/81/712233081.db2.gz CRIBLPSJCGJZQK-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO CCn1ccnc1C[NH2+][C@H]1CCC1(OC)OC ZINC000710985637 712271741 /nfs/dbraw/zinc/27/17/41/712271741.db2.gz BVPORKWCQCDJTD-JTQLQIEISA-N 1 2 239.319 1.144 20 0 BDADLO Cc1csc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000379025091 712368627 /nfs/dbraw/zinc/36/86/27/712368627.db2.gz CABBMWJHFVWEKH-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO Cc1csc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000379025091 712368629 /nfs/dbraw/zinc/36/86/29/712368629.db2.gz CABBMWJHFVWEKH-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)cs2)C1 ZINC000379080896 712369486 /nfs/dbraw/zinc/36/94/86/712369486.db2.gz XQPJXJTZBGCHLG-UHFFFAOYSA-N 1 2 224.329 1.490 20 0 BDADLO COC[C@H]([NH3+])c1nc(CC2CCCC2)no1 ZINC000379118939 712370452 /nfs/dbraw/zinc/37/04/52/712370452.db2.gz ZOJYOLZGJLBJLP-VIFPVBQESA-N 1 2 225.292 1.449 20 0 BDADLO CC(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001066270026 712373024 /nfs/dbraw/zinc/37/30/24/712373024.db2.gz XDXZBGXKTJYOBY-GFCCVEGCSA-N 1 2 248.330 1.455 20 0 BDADLO CCc1nc(C[NH2+][C@H](C)C(OC)OC)cs1 ZINC000328413662 712383770 /nfs/dbraw/zinc/38/37/70/712383770.db2.gz XWKGVHVQVPAYBE-MRVPVSSYSA-N 1 2 244.360 1.803 20 0 BDADLO CC[C@H](O)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795226 712449255 /nfs/dbraw/zinc/44/92/55/712449255.db2.gz IKIIZWDGVYJWBT-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795226 712449254 /nfs/dbraw/zinc/44/92/54/712449254.db2.gz IKIIZWDGVYJWBT-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@]1(C(F)(F)F)C[N@H+](CCCCO)CCO1 ZINC000712797480 712449282 /nfs/dbraw/zinc/44/92/82/712449282.db2.gz SUISXKZNNLCCRI-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO C[C@]1(C(F)(F)F)C[N@@H+](CCCCO)CCO1 ZINC000712797480 712449284 /nfs/dbraw/zinc/44/92/84/712449284.db2.gz SUISXKZNNLCCRI-SECBINFHSA-N 1 2 241.253 1.412 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712794279 712449413 /nfs/dbraw/zinc/44/94/13/712449413.db2.gz FNVMRFULVFCPFM-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)CC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712794279 712449414 /nfs/dbraw/zinc/44/94/14/712449414.db2.gz FNVMRFULVFCPFM-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)NCCc1[nH]cc[nH+]1 ZINC000712924336 712450319 /nfs/dbraw/zinc/45/03/19/712450319.db2.gz NEOMVQXJXZWYEJ-QWRGUYRKSA-N 1 2 233.315 1.505 20 0 BDADLO CCCNc1cc(N2C[C@@H](F)[C@@H](F)C2)nc[nH+]1 ZINC000714535432 712494287 /nfs/dbraw/zinc/49/42/87/712494287.db2.gz ANRKWBGTJTXOIV-DTORHVGOSA-N 1 2 242.273 1.795 20 0 BDADLO CCCNc1cc(N2C[C@@H](F)[C@@H](F)C2)[nH+]cn1 ZINC000714535432 712494289 /nfs/dbraw/zinc/49/42/89/712494289.db2.gz ANRKWBGTJTXOIV-DTORHVGOSA-N 1 2 242.273 1.795 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715412612 712518041 /nfs/dbraw/zinc/51/80/41/712518041.db2.gz HGNQPFVHBWYKTH-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715412612 712518043 /nfs/dbraw/zinc/51/80/43/712518043.db2.gz HGNQPFVHBWYKTH-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO C[C@H]([NH2+]Cc1ccsc1)c1cn(C)nn1 ZINC000715889417 712540140 /nfs/dbraw/zinc/54/01/40/712540140.db2.gz GGHUSMVJXRYYJD-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccns1 ZINC000715928254 712542999 /nfs/dbraw/zinc/54/29/99/712542999.db2.gz SSNCNNRFAPBBEW-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccns1 ZINC000715974833 712551027 /nfs/dbraw/zinc/55/10/27/712551027.db2.gz FVYNREOZACEFQT-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1nsc(NCC[N@H+]2CCC[C@H]2C)n1 ZINC000380001894 712651570 /nfs/dbraw/zinc/65/15/70/712651570.db2.gz KFVPMSCOBABUPB-MRVPVSSYSA-N 1 2 226.349 1.165 20 0 BDADLO Cc1nsc(NCC[N@@H+]2CCC[C@H]2C)n1 ZINC000380001894 712651572 /nfs/dbraw/zinc/65/15/72/712651572.db2.gz KFVPMSCOBABUPB-MRVPVSSYSA-N 1 2 226.349 1.165 20 0 BDADLO Cc1coc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000718475135 712761534 /nfs/dbraw/zinc/76/15/34/712761534.db2.gz BHGYIJMZFRXETP-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cc1coc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000718560321 712772272 /nfs/dbraw/zinc/77/22/72/712772272.db2.gz PSVXHWGWXHZEDK-SNVBAGLBSA-N 1 2 222.288 1.364 20 0 BDADLO Cc1coc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000718560321 712772273 /nfs/dbraw/zinc/77/22/73/712772273.db2.gz PSVXHWGWXHZEDK-SNVBAGLBSA-N 1 2 222.288 1.364 20 0 BDADLO COC(C)(C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000720147685 712827854 /nfs/dbraw/zinc/82/78/54/712827854.db2.gz IHXMUMVPKHMWLA-MRVPVSSYSA-N 1 2 249.318 1.589 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)c2cccn2C)CCO1 ZINC000720407593 712840231 /nfs/dbraw/zinc/84/02/31/712840231.db2.gz OPVNGVWAHURGTL-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)c2cccn2C)CCO1 ZINC000720407593 712840233 /nfs/dbraw/zinc/84/02/33/712840233.db2.gz OPVNGVWAHURGTL-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO Cc1conc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000720408611 712840698 /nfs/dbraw/zinc/84/06/98/712840698.db2.gz GFPJAOCSCSQNIH-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO C[C@@H]([NH2+]C/C=C\Cl)c1cn(C)nn1 ZINC000720603852 712857753 /nfs/dbraw/zinc/85/77/53/712857753.db2.gz VVTHBIGVNALTHX-KFOINNEUSA-N 1 2 200.673 1.218 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)[C@@H]2CCCO2)n1 ZINC000720608104 712858722 /nfs/dbraw/zinc/85/87/22/712858722.db2.gz IIIMDOFISYLCGS-BDAKNGLRSA-N 1 2 225.292 1.462 20 0 BDADLO C[C@H](OCC[NH+]1CCOCC1)C1CCC1 ZINC001210206661 957672789 /nfs/dbraw/zinc/67/27/89/957672789.db2.gz IEBYOMKLQWAXBY-NSHDSACASA-N 1 2 213.321 1.524 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(F)(F)C[C@@]1(C)CO ZINC001204587446 958878723 /nfs/dbraw/zinc/87/87/23/958878723.db2.gz DLBAGYRMZXTBHC-JTQLQIEISA-N 1 2 245.273 1.310 20 0 BDADLO CNc1ccc(Nc2ccncn2)c[nH+]1 ZINC000308914871 959540368 /nfs/dbraw/zinc/54/03/68/959540368.db2.gz FNXYQBSUCJAFNG-UHFFFAOYSA-N 1 2 201.233 1.657 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)n[nH]1 ZINC001203076621 960689209 /nfs/dbraw/zinc/68/92/09/960689209.db2.gz HDTACVMZSRUCIA-GXSJLCMTSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)n[nH]1 ZINC001203076621 960689218 /nfs/dbraw/zinc/68/92/18/960689218.db2.gz HDTACVMZSRUCIA-GXSJLCMTSA-N 1 2 209.293 1.063 20 0 BDADLO C[C@H]1CC[N@H+](Cc2csnn2)CC[C@]1(C)O ZINC001140992563 960778038 /nfs/dbraw/zinc/77/80/38/960778038.db2.gz KDQKIOJPLAGUAE-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2csnn2)CC[C@]1(C)O ZINC001140992563 960778051 /nfs/dbraw/zinc/77/80/51/960778051.db2.gz KDQKIOJPLAGUAE-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO F[C@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC001140992709 960778539 /nfs/dbraw/zinc/77/85/39/960778539.db2.gz RJQYPUOTBJEHHM-QMMMGPOBSA-N 1 2 215.297 1.862 20 0 BDADLO F[C@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC001140992709 960778552 /nfs/dbraw/zinc/77/85/52/960778552.db2.gz RJQYPUOTBJEHHM-QMMMGPOBSA-N 1 2 215.297 1.862 20 0 BDADLO CC[N@H+](Cc1csnn1)C1CCOCC1 ZINC001140995716 960793215 /nfs/dbraw/zinc/79/32/15/960793215.db2.gz FSGKLCNJDOCHIA-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@@H+](Cc1csnn1)C1CCOCC1 ZINC001140995716 960793249 /nfs/dbraw/zinc/79/32/49/960793249.db2.gz FSGKLCNJDOCHIA-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2ncco2)C1 ZINC001141010738 960813917 /nfs/dbraw/zinc/81/39/17/960813917.db2.gz GNJYHCHBOQVDSY-SNVBAGLBSA-N 1 2 208.261 1.476 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC001141010738 960813918 /nfs/dbraw/zinc/81/39/18/960813918.db2.gz GNJYHCHBOQVDSY-SNVBAGLBSA-N 1 2 208.261 1.476 20 0 BDADLO CCC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001154017997 962683468 /nfs/dbraw/zinc/68/34/68/962683468.db2.gz TXCLCFNZCVMSRA-UHFFFAOYSA-N 1 2 244.232 1.393 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001154802130 962852576 /nfs/dbraw/zinc/85/25/76/962852576.db2.gz QFMDJMRNMPCRIE-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO COc1c[nH+]c(N[C@@H](C)CCO)c(C)c1 ZINC001156446657 963349818 /nfs/dbraw/zinc/34/98/18/963349818.db2.gz JKVLSJDMSUCTMW-VIFPVBQESA-N 1 2 210.277 1.581 20 0 BDADLO CSc1cc[nH+]c(N2CC3(CCO3)C2)c1 ZINC001166942722 966466670 /nfs/dbraw/zinc/46/66/70/966466670.db2.gz LWLDJGUZCGTPGF-UHFFFAOYSA-N 1 2 222.313 1.783 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2cn[nH]c2CC)C1 ZINC001237651255 966683438 /nfs/dbraw/zinc/68/34/38/966683438.db2.gz OFLSWPSYSUHEOT-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2cn[nH]c2CC)C1 ZINC001237651255 966683450 /nfs/dbraw/zinc/68/34/50/966683450.db2.gz OFLSWPSYSUHEOT-GFCCVEGCSA-N 1 2 237.347 1.973 20 0 BDADLO Cc1nc[nH]c1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001204592190 967087185 /nfs/dbraw/zinc/08/71/85/967087185.db2.gz KZDFVTUDXBXDHR-VIFPVBQESA-N 1 2 241.335 1.748 20 0 BDADLO Fc1cccnc1C[NH+]1CC2(C1)CCOC2 ZINC001206055719 968021699 /nfs/dbraw/zinc/02/16/99/968021699.db2.gz LYEJGPLBBCDJSY-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO Cc1nc(N2CCCCO2)cc(N(C)C)[nH+]1 ZINC001163929228 968135432 /nfs/dbraw/zinc/13/54/32/968135432.db2.gz YNBFDCDIEZAPJF-UHFFFAOYSA-N 1 2 222.292 1.383 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001252108998 968590719 /nfs/dbraw/zinc/59/07/19/968590719.db2.gz UUBCYCULRYVCNA-TUAOUCFPSA-N 1 2 245.363 1.715 20 0 BDADLO CCOc1cc[nH+]cc1NCC(C)(C)O ZINC001252346758 968626319 /nfs/dbraw/zinc/62/63/19/968626319.db2.gz QEEHVOMWZYTSSF-UHFFFAOYSA-N 1 2 210.277 1.663 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@H](C(C)=O)C1 ZINC001207146999 968656293 /nfs/dbraw/zinc/65/62/93/968656293.db2.gz UYSDPSCWNORXEZ-NSHDSACASA-N 1 2 221.304 1.314 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@H](C(C)=O)C1 ZINC001207146999 968656297 /nfs/dbraw/zinc/65/62/97/968656297.db2.gz UYSDPSCWNORXEZ-NSHDSACASA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cncc(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001207155525 968665966 /nfs/dbraw/zinc/66/59/66/968665966.db2.gz ROWICJHIDNEJEM-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1cncc(C[N@H+]2CCCC(=O)CC2)c1 ZINC001207155525 968665968 /nfs/dbraw/zinc/66/59/68/968665968.db2.gz ROWICJHIDNEJEM-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001207413782 968757926 /nfs/dbraw/zinc/75/79/26/968757926.db2.gz XWMAJLUVOAOQAH-DTORHVGOSA-N 1 2 233.258 1.527 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001207413782 968757928 /nfs/dbraw/zinc/75/79/28/968757928.db2.gz XWMAJLUVOAOQAH-DTORHVGOSA-N 1 2 233.258 1.527 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cccs1 ZINC001204015741 968813234 /nfs/dbraw/zinc/81/32/34/968813234.db2.gz KXJCZKNOLMFKLI-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cccs1 ZINC001204015741 968813237 /nfs/dbraw/zinc/81/32/37/968813237.db2.gz KXJCZKNOLMFKLI-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@H+](CC1CCSCC1)C2 ZINC001207756061 968874270 /nfs/dbraw/zinc/87/42/70/968874270.db2.gz AOYLCTKPIATWDQ-UWVGGRQHSA-N 1 2 227.329 1.129 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@@H+](CC1CCSCC1)C2 ZINC001207756061 968874278 /nfs/dbraw/zinc/87/42/78/968874278.db2.gz AOYLCTKPIATWDQ-UWVGGRQHSA-N 1 2 227.329 1.129 20 0 BDADLO Cc1cccc2[nH+]cc(NS(C)(=O)=O)n21 ZINC001252650099 968892286 /nfs/dbraw/zinc/89/22/86/968892286.db2.gz BYMKDOWUBFQAQC-UHFFFAOYSA-N 1 2 225.273 1.014 20 0 BDADLO CS[C@H](C)CC[N@@H+]1CCCC(=O)C1 ZINC001208146978 969068101 /nfs/dbraw/zinc/06/81/01/969068101.db2.gz KSGUTEAVKIMRDY-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CS[C@H](C)CC[N@H+]1CCCC(=O)C1 ZINC001208146978 969068114 /nfs/dbraw/zinc/06/81/14/969068114.db2.gz KSGUTEAVKIMRDY-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CCOC1C[NH+](C[C@H](C)C(F)(F)F)C1 ZINC001208896863 969284835 /nfs/dbraw/zinc/28/48/35/969284835.db2.gz XRNOCBMNINKSFR-ZETCQYMHSA-N 1 2 211.227 1.906 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253721737 969347878 /nfs/dbraw/zinc/34/78/78/969347878.db2.gz HKEMXINSRHTJMN-MWLCHTKSSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001253721737 969347883 /nfs/dbraw/zinc/34/78/83/969347883.db2.gz HKEMXINSRHTJMN-MWLCHTKSSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001253758447 969375071 /nfs/dbraw/zinc/37/50/71/969375071.db2.gz YQAUJLBUQDLLBQ-VHSXEESVSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001253758447 969375081 /nfs/dbraw/zinc/37/50/81/969375081.db2.gz YQAUJLBUQDLLBQ-VHSXEESVSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cncs1 ZINC001209549838 969537140 /nfs/dbraw/zinc/53/71/40/969537140.db2.gz OLYUIZUNZXYKQE-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cncs1 ZINC001209549838 969537145 /nfs/dbraw/zinc/53/71/45/969537145.db2.gz OLYUIZUNZXYKQE-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)[nH]1 ZINC001209570307 969553020 /nfs/dbraw/zinc/55/30/20/969553020.db2.gz NSNOFCNHDNGQBF-JTQLQIEISA-N 1 2 206.289 1.877 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)[nH]1 ZINC001209570307 969553025 /nfs/dbraw/zinc/55/30/25/969553025.db2.gz NSNOFCNHDNGQBF-JTQLQIEISA-N 1 2 206.289 1.877 20 0 BDADLO FC1(F)CCN(C2C[NH+]([C@H]3CCCOC3)C2)C1 ZINC001254382014 969596453 /nfs/dbraw/zinc/59/64/53/969596453.db2.gz BVEYWNIOZKOHMF-JTQLQIEISA-N 1 2 246.301 1.191 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109608559 970003513 /nfs/dbraw/zinc/00/35/13/970003513.db2.gz UUWSUZCXEOQZKV-ZNSHCXBVSA-N 1 2 246.301 1.426 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109608559 970003524 /nfs/dbraw/zinc/00/35/24/970003524.db2.gz UUWSUZCXEOQZKV-ZNSHCXBVSA-N 1 2 246.301 1.426 20 0 BDADLO Fc1ccc(CN2CC[NH2+]CC(F)(F)C2)cc1 ZINC001210815689 970048536 /nfs/dbraw/zinc/04/85/36/970048536.db2.gz YKYZXKZRIUIIMX-UHFFFAOYSA-N 1 2 244.260 1.866 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC001255523502 970283766 /nfs/dbraw/zinc/28/37/66/970283766.db2.gz BPMKAGWADMANGD-SECBINFHSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCOC(C)(C)C2)no1 ZINC001255535596 970301369 /nfs/dbraw/zinc/30/13/69/970301369.db2.gz MYZUKCFDOFIKOS-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCOC(C)(C)C2)no1 ZINC001255535596 970301382 /nfs/dbraw/zinc/30/13/82/970301382.db2.gz MYZUKCFDOFIKOS-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H](C)COC)[C@@H](C)CC ZINC001255559461 970336915 /nfs/dbraw/zinc/33/69/15/970336915.db2.gz FDMOBVNUEHXPFL-AXFHLTTASA-N 1 2 231.336 1.589 20 0 BDADLO F[C@@H]1C[N@H+](C2CCC3(CC2)OCCO3)C[C@@H]1F ZINC001255622915 970399954 /nfs/dbraw/zinc/39/99/54/970399954.db2.gz NPWSPTXJFVZPOO-PHIMTYICSA-N 1 2 247.285 1.664 20 0 BDADLO F[C@@H]1C[N@@H+](C2CCC3(CC2)OCCO3)C[C@@H]1F ZINC001255622915 970399966 /nfs/dbraw/zinc/39/99/66/970399966.db2.gz NPWSPTXJFVZPOO-PHIMTYICSA-N 1 2 247.285 1.664 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH+]1CCN(C)CC1 ZINC001255647380 970424203 /nfs/dbraw/zinc/42/42/03/970424203.db2.gz WRRLZMMCCGOASR-QMMMGPOBSA-N 1 2 210.243 1.575 20 0 BDADLO COC(=O)C[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256144373 970670340 /nfs/dbraw/zinc/67/03/40/970670340.db2.gz NTIDIUGAQWUVJS-JTQLQIEISA-N 1 2 237.299 1.389 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]C[C@@](C)(O)C(F)F)o1 ZINC001332366357 975075308 /nfs/dbraw/zinc/07/53/08/975075308.db2.gz XJAANONELOTFCJ-SSDLBLMSSA-N 1 2 235.234 1.045 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2c(O)cccc2O)C1 ZINC001227037684 975230408 /nfs/dbraw/zinc/23/04/08/975230408.db2.gz UJRHMUHOHXQPHN-UHFFFAOYSA-N 1 2 237.299 1.959 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCC[C@H](C)CC1)[C@@H](C)O ZINC001332739823 975276617 /nfs/dbraw/zinc/27/66/17/975276617.db2.gz XGDPKFZDULWNMG-USZNOCQGSA-N 1 2 243.347 1.467 20 0 BDADLO Cn1cc(C[N@@H+]2CC=C[C@@H]2CO)c(C(F)F)n1 ZINC001333085597 975403652 /nfs/dbraw/zinc/40/36/52/975403652.db2.gz SZUZIDYTZGNGJQ-SECBINFHSA-N 1 2 243.257 1.090 20 0 BDADLO Cn1cc(C[N@H+]2CC=C[C@@H]2CO)c(C(F)F)n1 ZINC001333085597 975403669 /nfs/dbraw/zinc/40/36/69/975403669.db2.gz SZUZIDYTZGNGJQ-SECBINFHSA-N 1 2 243.257 1.090 20 0 BDADLO COc1ncccc1OC1C[NH+](C(C)C)C1 ZINC001228593297 976368730 /nfs/dbraw/zinc/36/87/30/976368730.db2.gz QZOCPPHQPHRTOV-UHFFFAOYSA-N 1 2 222.288 1.562 20 0 BDADLO Cc1nc(Cl)ncc1OC1C[NH+](C(C)C)C1 ZINC001231031591 977434753 /nfs/dbraw/zinc/43/47/53/977434753.db2.gz QCLJJLNGXBOXCK-UHFFFAOYSA-N 1 2 241.722 1.910 20 0 BDADLO COCC1C[NH+](Cc2ncccc2Cl)C1 ZINC001231958226 977810230 /nfs/dbraw/zinc/81/02/30/977810230.db2.gz PTJRDAYUXPBKBC-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO CCOc1nccnc1Nc1[nH]cc[nH+]1 ZINC001176080697 977875956 /nfs/dbraw/zinc/87/59/56/977875956.db2.gz VCBBHBWWRDQPPC-UHFFFAOYSA-N 1 2 205.221 1.342 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)s1 ZINC001232247400 977975455 /nfs/dbraw/zinc/97/54/55/977975455.db2.gz ZZYGXHOEUDZDRH-CIUDSAMLSA-N 1 2 227.308 1.779 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)s1 ZINC001232247400 977975464 /nfs/dbraw/zinc/97/54/64/977975464.db2.gz ZZYGXHOEUDZDRH-CIUDSAMLSA-N 1 2 227.308 1.779 20 0 BDADLO Cc1c(F)cc(C[NH+]2CC(CO)C2)cc1F ZINC001232423728 978052853 /nfs/dbraw/zinc/05/28/53/978052853.db2.gz UXINKQRYUDAYRI-UHFFFAOYSA-N 1 2 227.254 1.697 20 0 BDADLO Cc1[nH]c(CN2CCC[C@H](F)C(=O)C2)c[nH+]1 ZINC001232458194 978088517 /nfs/dbraw/zinc/08/85/17/978088517.db2.gz FDUUPLWYSNPNAV-JTQLQIEISA-N 1 2 225.267 1.221 20 0 BDADLO Cc1[nH]cc(CN2CCC[C@H](F)C(=O)C2)[nH+]1 ZINC001232458194 978088525 /nfs/dbraw/zinc/08/85/25/978088525.db2.gz FDUUPLWYSNPNAV-JTQLQIEISA-N 1 2 225.267 1.221 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccncc2)c[nH+]1 ZINC001232459363 978091451 /nfs/dbraw/zinc/09/14/51/978091451.db2.gz DASXNFMWPKZTIP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cscn2)c[nH+]1 ZINC001232465138 978111205 /nfs/dbraw/zinc/11/12/05/978111205.db2.gz VYUBZTUKYGYCRB-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2cscn2)[nH+]1 ZINC001232465138 978111215 /nfs/dbraw/zinc/11/12/15/978111215.db2.gz VYUBZTUKYGYCRB-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO COc1cccc(C)c1C[N@H+](C)C1COC1 ZINC001232627833 978203511 /nfs/dbraw/zinc/20/35/11/978203511.db2.gz PVWZXRXJEVAMOW-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COc1cccc(C)c1C[N@@H+](C)C1COC1 ZINC001232627833 978203523 /nfs/dbraw/zinc/20/35/23/978203523.db2.gz PVWZXRXJEVAMOW-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001337274548 978256215 /nfs/dbraw/zinc/25/62/15/978256215.db2.gz LQSXGFXYHVNWDP-SCZZXKLOSA-N 1 2 225.267 1.062 20 0 BDADLO CC1CC(N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001177994177 978495668 /nfs/dbraw/zinc/49/56/68/978495668.db2.gz RVDSONMSSKEPDW-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO CCc1ccc(N2CC[C@@](F)(CO)C2)[nH+]c1 ZINC001339712572 978896014 /nfs/dbraw/zinc/89/60/14/978896014.db2.gz YHWUYENVORBNMF-LBPRGKRZSA-N 1 2 224.279 1.555 20 0 BDADLO C[C@H](C(=O)N1[C@H](C)CC[C@@H]1C)n1cc[nH+]c1 ZINC001340274426 978998694 /nfs/dbraw/zinc/99/86/94/978998694.db2.gz UJHLFNCBQHKNFW-OUAUKWLOSA-N 1 2 221.304 1.844 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@@]2(F)Cl)c1 ZINC001181668272 979241040 /nfs/dbraw/zinc/24/10/40/979241040.db2.gz OVSJAAQPEDHXMN-WPRPVWTQSA-N 1 2 245.685 1.003 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2CC[C@H]2C)[nH]n1 ZINC001237035908 979806941 /nfs/dbraw/zinc/80/69/41/979806941.db2.gz SWKRRWLPMWGYPN-MRVPVSSYSA-N 1 2 223.276 1.181 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2CC[C@H]2C)[nH]n1 ZINC001237035908 979806945 /nfs/dbraw/zinc/80/69/45/979806945.db2.gz SWKRRWLPMWGYPN-MRVPVSSYSA-N 1 2 223.276 1.181 20 0 BDADLO CC[NH+]1CCN(CC2OC=CC2=S)CC1 ZINC001237183128 979833314 /nfs/dbraw/zinc/83/33/14/979833314.db2.gz PXMHVJJHEQDNIH-UHFFFAOYSA-N 1 2 226.345 1.706 20 0 BDADLO CCN1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237183128 979833319 /nfs/dbraw/zinc/83/33/19/979833319.db2.gz PXMHVJJHEQDNIH-UHFFFAOYSA-N 1 2 226.345 1.706 20 0 BDADLO Nc1cccc(C[NH+]2CC3(CCO3)C2)c1 ZINC001237222906 979856737 /nfs/dbraw/zinc/85/67/37/979856737.db2.gz YIGQZMZQNJCLCF-UHFFFAOYSA-N 1 2 204.273 1.244 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)co2)C1 ZINC001237648843 979977900 /nfs/dbraw/zinc/97/79/00/979977900.db2.gz JVBFETCFUMDYHK-NSHDSACASA-N 1 2 222.288 1.784 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@@H](OC)C1 ZINC001237651839 980011200 /nfs/dbraw/zinc/01/12/00/980011200.db2.gz ZIGVBYUZTMWEDS-SNVBAGLBSA-N 1 2 209.293 1.193 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@@H](OC)C1 ZINC001237651839 980011203 /nfs/dbraw/zinc/01/12/03/980011203.db2.gz ZIGVBYUZTMWEDS-SNVBAGLBSA-N 1 2 209.293 1.193 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(Cl)n1 ZINC001237795937 980047058 /nfs/dbraw/zinc/04/70/58/980047058.db2.gz SAKQCPUCPLUBCG-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](O)C2)c(Cl)n1 ZINC001237795937 980047072 /nfs/dbraw/zinc/04/70/72/980047072.db2.gz SAKQCPUCPLUBCG-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO CCc1ncc(C[N@@H+]2CCN(C)[C@H](C)C2)s1 ZINC001237825308 980073401 /nfs/dbraw/zinc/07/34/01/980073401.db2.gz AILBZRRIAKKCOL-SNVBAGLBSA-N 1 2 239.388 1.841 20 0 BDADLO CCc1ncc(C[N@H+]2CCN(C)[C@H](C)C2)s1 ZINC001237825308 980073409 /nfs/dbraw/zinc/07/34/09/980073409.db2.gz AILBZRRIAKKCOL-SNVBAGLBSA-N 1 2 239.388 1.841 20 0 BDADLO CC(C)=C(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001343780558 980235610 /nfs/dbraw/zinc/23/56/10/980235610.db2.gz KTUKPRRALUQQSW-UHFFFAOYSA-N 1 2 219.288 1.582 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCSC1)n1cc[nH+]c1 ZINC001344351546 980375011 /nfs/dbraw/zinc/37/50/11/980375011.db2.gz IIZKMUYVRCFMMS-RKDXNWHRSA-N 1 2 225.317 1.066 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]n1 ZINC001346207610 980787528 /nfs/dbraw/zinc/78/75/28/980787528.db2.gz LQEWBCUPTAGYKI-DTORHVGOSA-N 1 2 213.231 1.415 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]n1 ZINC001346207610 980787533 /nfs/dbraw/zinc/78/75/33/980787533.db2.gz LQEWBCUPTAGYKI-DTORHVGOSA-N 1 2 213.231 1.415 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001347888798 981208340 /nfs/dbraw/zinc/20/83/40/981208340.db2.gz IKCIRNMDXHRGIW-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1cc(F)cc(C)[nH+]1 ZINC001348044142 981260277 /nfs/dbraw/zinc/26/02/77/981260277.db2.gz XDYCOIQFAJAXED-QMMMGPOBSA-N 1 2 240.278 1.774 20 0 BDADLO Cc1sccc1C(=O)NC1C[NH+](C)C1 ZINC001193384707 981310652 /nfs/dbraw/zinc/31/06/52/981310652.db2.gz FPRWYLZMNOVZSL-UHFFFAOYSA-N 1 2 210.302 1.100 20 0 BDADLO C[N@@H+]1CCO[C@H](CNC(=O)OCC(C)(C)C)C1 ZINC001194401738 981799020 /nfs/dbraw/zinc/79/90/20/981799020.db2.gz PYZKXXSROLNXHM-SNVBAGLBSA-N 1 2 244.335 1.089 20 0 BDADLO C[N@H+]1CCO[C@H](CNC(=O)OCC(C)(C)C)C1 ZINC001194401738 981799040 /nfs/dbraw/zinc/79/90/40/981799040.db2.gz PYZKXXSROLNXHM-SNVBAGLBSA-N 1 2 244.335 1.089 20 0 BDADLO CC[C@@H](C)COC(=O)NCCc1[nH+]ccn1C ZINC001194839957 981929257 /nfs/dbraw/zinc/92/92/57/981929257.db2.gz XBKIASBSOVCIFF-SNVBAGLBSA-N 1 2 239.319 1.735 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)C(F)(F)F)c(C)o1 ZINC001250956785 982378924 /nfs/dbraw/zinc/37/89/24/982378924.db2.gz LJWQABBORBQYFM-QMMMGPOBSA-N 1 2 238.209 1.304 20 0 BDADLO CC[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001352434419 982526344 /nfs/dbraw/zinc/52/63/44/982526344.db2.gz YMIOPWSSLAYFCD-LLVKDONJSA-N 1 2 235.331 1.658 20 0 BDADLO COCNC(=S)Nc1ccc2[nH+]ccn2c1 ZINC001198804952 982849490 /nfs/dbraw/zinc/84/94/90/982849490.db2.gz YFNKDXMYJUDATO-UHFFFAOYSA-N 1 2 236.300 1.225 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H](F)C1 ZINC001354084066 983147192 /nfs/dbraw/zinc/14/71/92/983147192.db2.gz VLKGUPKKPDZRPG-IUCAKERBSA-N 1 2 225.267 1.349 20 0 BDADLO CC(C)NC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001200777226 983359159 /nfs/dbraw/zinc/35/91/59/983359159.db2.gz WIGWUMPTPBEKOZ-UHFFFAOYSA-N 1 2 235.356 1.687 20 0 BDADLO CC(C)NC(=S)NCCOc1cc[nH+]cc1 ZINC001200795529 983373834 /nfs/dbraw/zinc/37/38/34/983373834.db2.gz NZURCZNJTWVYEO-UHFFFAOYSA-N 1 2 239.344 1.333 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001172416363 974684203 /nfs/dbraw/zinc/68/42/03/974684203.db2.gz GZZZQKYENRSDNK-QWRGUYRKSA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@H](C)[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001172416363 974684209 /nfs/dbraw/zinc/68/42/09/974684209.db2.gz GZZZQKYENRSDNK-QWRGUYRKSA-N 1 2 231.311 1.805 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)CCOCC(C)C ZINC001172458984 974822816 /nfs/dbraw/zinc/82/28/16/974822816.db2.gz IAJOCMDBTSDDLJ-LLVKDONJSA-N 1 2 231.336 1.590 20 0 BDADLO CC[C@H]([NH2+]Cc1ncn[nH]1)[C@H]1CCCOC1 ZINC001331838095 974831703 /nfs/dbraw/zinc/83/17/03/974831703.db2.gz UCPAAEOVUGLYLX-UWVGGRQHSA-N 1 2 224.308 1.100 20 0 BDADLO Oc1c(F)cc(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000128097051 973735683 /nfs/dbraw/zinc/73/56/83/973735683.db2.gz BKMPNJVOQNVSDM-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO CN1CC[NH+](CCO[C@H]2CCCC[C@H]2F)CC1 ZINC001224548935 973764118 /nfs/dbraw/zinc/76/41/18/973764118.db2.gz HYIOFFDKBBLHPG-OLZOCXBDSA-N 1 2 244.354 1.531 20 0 BDADLO C[C@H](c1nnc([C@@H]2C[C@@H]2C)o1)n1cc[nH+]c1 ZINC001256660345 970904761 /nfs/dbraw/zinc/90/47/61/970904761.db2.gz VKKYVTKFWRBTDU-DJLDLDEBSA-N 1 2 218.260 1.999 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001256661182 970909839 /nfs/dbraw/zinc/90/98/39/970909839.db2.gz ZGVIHMVXJXKZLO-XPUUQOCRSA-N 1 2 204.233 1.507 20 0 BDADLO CCOC(=O)c1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243947640 971034678 /nfs/dbraw/zinc/03/46/78/971034678.db2.gz NQGYURMNFLRUMW-UHFFFAOYSA-N 1 2 232.283 1.983 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257073467 971090351 /nfs/dbraw/zinc/09/03/51/971090351.db2.gz OBSSCKZYXKIAQG-MXWKQRLJSA-N 1 2 243.347 1.872 20 0 BDADLO CCC[C@H](CC)[NH2+][C@@H](CC(=O)OC)C(=O)OC ZINC001257244253 971137530 /nfs/dbraw/zinc/13/75/30/971137530.db2.gz LQAXWFMWZUJADY-UWVGGRQHSA-N 1 2 245.319 1.259 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCC=C(Cl)C1 ZINC000404391027 971159060 /nfs/dbraw/zinc/15/90/60/971159060.db2.gz MLYVGECYTMBJJA-QMMMGPOBSA-N 1 2 202.685 1.079 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCC=C(Cl)C1 ZINC000404391027 971159066 /nfs/dbraw/zinc/15/90/66/971159066.db2.gz MLYVGECYTMBJJA-QMMMGPOBSA-N 1 2 202.685 1.079 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(C)nc2)nn1 ZINC000404448962 971162088 /nfs/dbraw/zinc/16/20/88/971162088.db2.gz LJRSOXBLGWBHPA-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001257317169 971214603 /nfs/dbraw/zinc/21/46/03/971214603.db2.gz SPYFBPHDCTXOHC-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001257317169 971214612 /nfs/dbraw/zinc/21/46/12/971214612.db2.gz SPYFBPHDCTXOHC-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CC(=O)N[C@H]1C[C@H](Nc2cccc[nH+]2)C1 ZINC001170571867 971214977 /nfs/dbraw/zinc/21/49/77/971214977.db2.gz GHYIOILRTVGVPE-MGCOHNPYSA-N 1 2 205.261 1.161 20 0 BDADLO CC(=O)OC[C@H]([NH3+])c1nnc(CCC(C)C)o1 ZINC001217698979 971333181 /nfs/dbraw/zinc/33/31/81/971333181.db2.gz ILQRPSIDQVPJKI-VIFPVBQESA-N 1 2 241.291 1.221 20 0 BDADLO CC(=O)OC[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC001217698845 971334326 /nfs/dbraw/zinc/33/43/26/971334326.db2.gz HYRVELOPNPWOLP-JTQLQIEISA-N 1 2 247.254 1.300 20 0 BDADLO CCc1nnc([C@H](COC(C)(C)C)[NH2+]C)o1 ZINC001217717239 971356085 /nfs/dbraw/zinc/35/60/85/971356085.db2.gz GUWJVYWCXGOHRN-QMMMGPOBSA-N 1 2 227.308 1.708 20 0 BDADLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)ncc1F ZINC001158703268 971403086 /nfs/dbraw/zinc/40/30/86/971403086.db2.gz ZIHDXVSLOWEISH-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)ncc1F ZINC001158703268 971403093 /nfs/dbraw/zinc/40/30/93/971403093.db2.gz ZIHDXVSLOWEISH-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO CCCCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257519580 971447382 /nfs/dbraw/zinc/44/73/82/971447382.db2.gz KUPSSFSLRNKIKV-DCAQKATOSA-N 1 2 211.305 1.955 20 0 BDADLO CCCCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257519580 971447392 /nfs/dbraw/zinc/44/73/92/971447392.db2.gz KUPSSFSLRNKIKV-DCAQKATOSA-N 1 2 211.305 1.955 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCCSC1 ZINC001257667603 971465536 /nfs/dbraw/zinc/46/55/36/971465536.db2.gz HZBFWOGABSMORL-SECBINFHSA-N 1 2 217.334 1.425 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCCSC1 ZINC001257667604 971465745 /nfs/dbraw/zinc/46/57/45/971465745.db2.gz HZBFWOGABSMORL-VIFPVBQESA-N 1 2 217.334 1.425 20 0 BDADLO O=C(NOC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000812787217 971533341 /nfs/dbraw/zinc/53/33/41/971533341.db2.gz HXSAMQYPQOMAEG-VIFPVBQESA-N 1 2 235.287 1.046 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2c(F)cccc2F)C1 ZINC001225205926 974227870 /nfs/dbraw/zinc/22/78/70/974227870.db2.gz GYMVYBZMBCLXQH-SECBINFHSA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2c(F)cccc2F)C1 ZINC001225205926 974227886 /nfs/dbraw/zinc/22/78/86/974227886.db2.gz GYMVYBZMBCLXQH-SECBINFHSA-N 1 2 243.253 1.674 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1ncc(Cl)s1)C2 ZINC001276775258 971613208 /nfs/dbraw/zinc/61/32/08/971613208.db2.gz GIHUEIPGXUZBSY-UHFFFAOYSA-N 1 2 243.763 1.686 20 0 BDADLO C[N@H+]1CCC12CN(Cc1ncc(Cl)s1)C2 ZINC001276775258 971613212 /nfs/dbraw/zinc/61/32/12/971613212.db2.gz GIHUEIPGXUZBSY-UHFFFAOYSA-N 1 2 243.763 1.686 20 0 BDADLO CC(C)[NH+]1CC(Oc2ncccc2N)C1 ZINC001218191588 971623951 /nfs/dbraw/zinc/62/39/51/971623951.db2.gz CGHSYNFPEWJTKV-UHFFFAOYSA-N 1 2 207.277 1.135 20 0 BDADLO Cc1ccc(OC2C[NH+](C(C)C)C2)c(CO)n1 ZINC001225282591 974350340 /nfs/dbraw/zinc/35/03/40/974350340.db2.gz UOLNVMJUHGBPDY-UHFFFAOYSA-N 1 2 236.315 1.354 20 0 BDADLO Cc1cc(N2CCOCC2)[nH+]cc1-c1cc[nH]n1 ZINC001245314219 971784173 /nfs/dbraw/zinc/78/41/73/971784173.db2.gz NRBDOHZYDZAJFM-UHFFFAOYSA-N 1 2 244.298 1.617 20 0 BDADLO Oc1cc2c(cc1O[C@H]1C[C@@H](O)C1)CC[NH+]=C2 ZINC001218422108 971797144 /nfs/dbraw/zinc/79/71/44/971797144.db2.gz HEGULSVCGPAFTK-PHIMTYICSA-N 1 2 233.267 1.269 20 0 BDADLO Cc1cc[nH+]c(C)c1OC[C@H]1C[C@@H](O)C1 ZINC001218432198 971811977 /nfs/dbraw/zinc/81/19/77/971811977.db2.gz HQMHXGCBEPEXJK-PHIMTYICSA-N 1 2 207.273 1.848 20 0 BDADLO Cc1cc(-c2ncnc3c2COC3)c[nH+]c1N ZINC001245536694 971849451 /nfs/dbraw/zinc/84/94/51/971849451.db2.gz AUUWJGHVPNFUTC-UHFFFAOYSA-N 1 2 228.255 1.459 20 0 BDADLO CNC(=O)c1cncc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245537509 971851306 /nfs/dbraw/zinc/85/13/06/971851306.db2.gz FRNURJVMTXXJAD-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO C[C@@H]1CC[C@H]([N@@H+]2CCOC(=O)C2)C[C@@H]1C ZINC001172379913 974585626 /nfs/dbraw/zinc/58/56/26/974585626.db2.gz PXSQILYQWVHXCV-VWYCJHECSA-N 1 2 211.305 1.670 20 0 BDADLO C[C@@H]1CC[C@H]([N@H+]2CCOC(=O)C2)C[C@@H]1C ZINC001172379913 974585633 /nfs/dbraw/zinc/58/56/33/974585633.db2.gz PXSQILYQWVHXCV-VWYCJHECSA-N 1 2 211.305 1.670 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]1C(=O)OC ZINC001172332570 974593632 /nfs/dbraw/zinc/59/36/32/974593632.db2.gz UDSLHHRSAHWDOF-WOPDTQHZSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]1C(=O)OC ZINC001172332570 974593638 /nfs/dbraw/zinc/59/36/38/974593638.db2.gz UDSLHHRSAHWDOF-WOPDTQHZSA-N 1 2 243.347 1.827 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001135687757 971963440 /nfs/dbraw/zinc/96/34/40/971963440.db2.gz WINYZQOUJKNDSW-NSHDSACASA-N 1 2 222.263 1.858 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001135687757 971963450 /nfs/dbraw/zinc/96/34/50/971963450.db2.gz WINYZQOUJKNDSW-NSHDSACASA-N 1 2 222.263 1.858 20 0 BDADLO O=C(NCc1ccc2c(c1)CCC2)C1(F)C[NH2+]C1 ZINC001219571811 972031354 /nfs/dbraw/zinc/03/13/54/972031354.db2.gz QKLFIGAGZAVUSD-UHFFFAOYSA-N 1 2 248.301 1.103 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc[nH]1)C1CCCC1 ZINC000190688585 972042156 /nfs/dbraw/zinc/04/21/56/972042156.db2.gz QBOQXWZEVKPXEF-UHFFFAOYSA-N 1 2 236.315 1.932 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc[nH]1)C1CCCC1 ZINC000190688585 972042168 /nfs/dbraw/zinc/04/21/68/972042168.db2.gz QBOQXWZEVKPXEF-UHFFFAOYSA-N 1 2 236.315 1.932 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc2c1OCO2 ZINC001204050941 972081631 /nfs/dbraw/zinc/08/16/31/972081631.db2.gz BUXGERGDNYOKIH-TXEJJXNPSA-N 1 2 247.294 1.779 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc2c1OCO2 ZINC001204050941 972081635 /nfs/dbraw/zinc/08/16/35/972081635.db2.gz BUXGERGDNYOKIH-TXEJJXNPSA-N 1 2 247.294 1.779 20 0 BDADLO CC[C@H](CC(C)C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172403095 974654577 /nfs/dbraw/zinc/65/45/77/974654577.db2.gz YBKQLWUXULIONQ-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001136638312 972218923 /nfs/dbraw/zinc/21/89/23/972218923.db2.gz VWYRJLOLWRWVFK-NEPJUHHUSA-N 1 2 245.326 1.847 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1C ZINC001136710596 972244107 /nfs/dbraw/zinc/24/41/07/972244107.db2.gz RGTKJKAXTIWJAO-WCBMZHEXSA-N 1 2 221.304 1.565 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nccc2cc[nH]c21 ZINC001167127755 957426133 /nfs/dbraw/zinc/42/61/33/957426133.db2.gz ZVJURPHYTJJDNY-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO COc1ccc(C)[nH+]c1N1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001167169845 957515566 /nfs/dbraw/zinc/51/55/66/957515566.db2.gz GHXQOVPNAQISEH-IRUJWGPZSA-N 1 2 248.326 1.870 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cnc[nH]2)CCC1(F)F ZINC001136864994 972279330 /nfs/dbraw/zinc/27/93/30/972279330.db2.gz NMSMHVSFCDYVGI-SECBINFHSA-N 1 2 233.237 1.979 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cnc[nH]2)CCC1(F)F ZINC001136864994 972279339 /nfs/dbraw/zinc/27/93/39/972279339.db2.gz NMSMHVSFCDYVGI-SECBINFHSA-N 1 2 233.237 1.979 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136864994 972279343 /nfs/dbraw/zinc/27/93/43/972279343.db2.gz NMSMHVSFCDYVGI-SECBINFHSA-N 1 2 233.237 1.979 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136864994 972279351 /nfs/dbraw/zinc/27/93/51/972279351.db2.gz NMSMHVSFCDYVGI-SECBINFHSA-N 1 2 233.237 1.979 20 0 BDADLO Cc1ncsc1C[NH+]1CCN(CCF)CC1 ZINC001206986837 957715025 /nfs/dbraw/zinc/71/50/25/957715025.db2.gz HBRSZPDXDXBDHR-UHFFFAOYSA-N 1 2 243.351 1.539 20 0 BDADLO COC(=O)C1(C)CC[NH+](Cc2c[nH]cn2)CC1 ZINC001136871497 972289380 /nfs/dbraw/zinc/28/93/80/972289380.db2.gz NSZWWUYOGJEVGM-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO FC1(F)CO[C@@]2(CC[N@H+](Cc3c[nH]cn3)C2)C1 ZINC001136871935 972292875 /nfs/dbraw/zinc/29/28/75/972292875.db2.gz VLWMYUPSVJZLAG-JTQLQIEISA-N 1 2 243.257 1.410 20 0 BDADLO FC1(F)CO[C@@]2(CC[N@@H+](Cc3c[nH]cn3)C2)C1 ZINC001136871935 972292879 /nfs/dbraw/zinc/29/28/79/972292879.db2.gz VLWMYUPSVJZLAG-JTQLQIEISA-N 1 2 243.257 1.410 20 0 BDADLO O=C1CC(Nc2[nH+]cnc3[nH]cc(F)c32)C1 ZINC001167334239 957789507 /nfs/dbraw/zinc/78/95/07/957789507.db2.gz KPKPMKYYKRNZNU-UHFFFAOYSA-N 1 2 220.207 1.240 20 0 BDADLO Cn1ccc(NCCCn2cc[nH+]c2)n1 ZINC000086780458 958008609 /nfs/dbraw/zinc/00/86/09/958008609.db2.gz CAMJSISZWNDMDL-UHFFFAOYSA-N 1 2 205.265 1.119 20 0 BDADLO O[C@@H]1C[N@H+](Cc2nccs2)CC[C@H]1F ZINC001204544833 958125827 /nfs/dbraw/zinc/12/58/27/958125827.db2.gz JLBSVNLBFFYZIB-HTQZYQBOSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2nccs2)CC[C@H]1F ZINC001204544833 958125836 /nfs/dbraw/zinc/12/58/36/958125836.db2.gz JLBSVNLBFFYZIB-HTQZYQBOSA-N 1 2 216.281 1.048 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H]1C(F)(F)F)n1cc[nH+]c1 ZINC001347784500 958138386 /nfs/dbraw/zinc/13/83/86/958138386.db2.gz JJLXOWCMPRILAL-HTQZYQBOSA-N 1 2 247.220 1.607 20 0 BDADLO COc1ncc(C[N@@H+]2CCOC3(CC3)C2)cc1C ZINC001137009571 972323664 /nfs/dbraw/zinc/32/36/64/972323664.db2.gz ICKRKNNYYLEKEZ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1ncc(C[N@H+]2CCOC3(CC3)C2)cc1C ZINC001137009571 972323668 /nfs/dbraw/zinc/32/36/68/972323668.db2.gz ICKRKNNYYLEKEZ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1ccncn1 ZINC001140348778 958278840 /nfs/dbraw/zinc/27/88/40/958278840.db2.gz BILMBWZXJAPUJN-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1ccncn1 ZINC001140348778 958278854 /nfs/dbraw/zinc/27/88/54/958278854.db2.gz BILMBWZXJAPUJN-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC(C)n1nccc1C[NH+]1CC2(COC2)C1 ZINC001207170267 958295731 /nfs/dbraw/zinc/29/57/31/958295731.db2.gz VLHGBYGNYMJAIK-UHFFFAOYSA-N 1 2 221.304 1.296 20 0 BDADLO O[C@@H](C[NH+]1CC(C(F)F)C1)C(F)(F)F ZINC000707021776 958336939 /nfs/dbraw/zinc/33/69/39/958336939.db2.gz LUELNXHDRSZXFS-YFKPBYRVSA-N 1 2 219.153 1.107 20 0 BDADLO Oc1cccc(C[NH+]2CCN(CCF)CC2)c1 ZINC000402835096 958344886 /nfs/dbraw/zinc/34/48/86/958344886.db2.gz IOSYVGTXLVYCEN-UHFFFAOYSA-N 1 2 238.306 1.479 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC23CCC3)c(N)n1 ZINC000707191841 958396059 /nfs/dbraw/zinc/39/60/59/958396059.db2.gz IEFJNEFBNLPFPK-UHFFFAOYSA-N 1 2 247.342 1.727 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC23CCC3)c(N)n1 ZINC000707191841 958396079 /nfs/dbraw/zinc/39/60/79/958396079.db2.gz IEFJNEFBNLPFPK-UHFFFAOYSA-N 1 2 247.342 1.727 20 0 BDADLO C[C@@H](OCCn1cc[nH+]c1)C1CCOCC1 ZINC001222134950 972383351 /nfs/dbraw/zinc/38/33/51/972383351.db2.gz SXNGWFNPBNCDTF-LLVKDONJSA-N 1 2 224.304 1.715 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC[C@H](F)C(=O)C1 ZINC001204587340 958878312 /nfs/dbraw/zinc/87/83/12/958878312.db2.gz AWGSOTMFAHOXMN-VIFPVBQESA-N 1 2 225.267 1.221 20 0 BDADLO Cc1noc([C@@H]2CCCN2Cc2[nH]c[nH+]c2C)n1 ZINC001204592784 958991016 /nfs/dbraw/zinc/99/10/16/958991016.db2.gz RGEQTDMLZQGGKN-NSHDSACASA-N 1 2 247.302 1.747 20 0 BDADLO COc1cc(C)c(NCc2cc[nH+]c(N)c2)nn1 ZINC001167613670 959066416 /nfs/dbraw/zinc/06/64/16/959066416.db2.gz LRFNICKMRSSJMH-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1cc(NCc2cc[nH+]c(N)c2)c(F)cn1 ZINC001167616888 959083825 /nfs/dbraw/zinc/08/38/25/959083825.db2.gz SALRIKUJSBAVEF-UHFFFAOYSA-N 1 2 248.261 1.819 20 0 BDADLO Cc1cc(NCc2cc[nH+]c(N)c2)ncn1 ZINC001167617593 959085539 /nfs/dbraw/zinc/08/55/39/959085539.db2.gz QTVUIBRYTNRYRK-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO C[C@H](C(=O)NCCCC1CC1)n1cc[nH+]c1 ZINC001327111911 972413433 /nfs/dbraw/zinc/41/34/33/972413433.db2.gz GIPWFGSQCZEQTJ-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO CON(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001350925072 959423775 /nfs/dbraw/zinc/42/37/75/959423775.db2.gz YXPLUSMYILDRKU-SNVBAGLBSA-N 1 2 237.303 1.244 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccc(O)cc1)C(F)F ZINC000724769922 959427357 /nfs/dbraw/zinc/42/73/57/959427357.db2.gz DNGHMGOMSRDCRF-QMMMGPOBSA-N 1 2 230.214 1.313 20 0 BDADLO COc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cn1 ZINC000724769090 959429019 /nfs/dbraw/zinc/42/90/19/959429019.db2.gz AGPORWYLFAWMRM-SSDOTTSWSA-N 1 2 245.229 1.011 20 0 BDADLO CC[N@H+](CCNC(C)=O)Cc1nc(C)c(C)o1 ZINC001480957893 959820904 /nfs/dbraw/zinc/82/09/04/959820904.db2.gz MZQVMBFTSJICPU-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO CC[N@@H+](CCNC(C)=O)Cc1nc(C)c(C)o1 ZINC001480957893 959820905 /nfs/dbraw/zinc/82/09/05/959820905.db2.gz MZQVMBFTSJICPU-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC001140988236 960156436 /nfs/dbraw/zinc/15/64/36/960156436.db2.gz SWLPPRSOPUNZAE-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC001140988236 960156445 /nfs/dbraw/zinc/15/64/45/960156445.db2.gz SWLPPRSOPUNZAE-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cn1ncn(C)c1=S ZINC000173520684 960353520 /nfs/dbraw/zinc/35/35/20/960353520.db2.gz HMAGBHKBYQQUAU-MRVPVSSYSA-N 1 2 212.322 1.393 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cn1ncn(C)c1=S ZINC000173520684 960353525 /nfs/dbraw/zinc/35/35/25/960353525.db2.gz HMAGBHKBYQQUAU-MRVPVSSYSA-N 1 2 212.322 1.393 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001327225294 972506375 /nfs/dbraw/zinc/50/63/75/972506375.db2.gz WHENVXLJOLQTGG-JTQLQIEISA-N 1 2 225.317 1.211 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@@]12CCOC2 ZINC001327225294 972506387 /nfs/dbraw/zinc/50/63/87/972506387.db2.gz WHENVXLJOLQTGG-JTQLQIEISA-N 1 2 225.317 1.211 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(CO)o1 ZINC001140682366 960489395 /nfs/dbraw/zinc/48/93/95/960489395.db2.gz ZDZONQLGJNALMU-CYBMUJFWSA-N 1 2 239.315 1.629 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(CO)o1 ZINC001140682366 960489406 /nfs/dbraw/zinc/48/94/06/960489406.db2.gz ZDZONQLGJNALMU-CYBMUJFWSA-N 1 2 239.315 1.629 20 0 BDADLO CC[N@H+](Cc1c(C)nn(C)c1C)C1COC1 ZINC001203059130 960528373 /nfs/dbraw/zinc/52/83/73/960528373.db2.gz DERGAYALKXAJGD-UHFFFAOYSA-N 1 2 223.320 1.258 20 0 BDADLO CC[N@@H+](Cc1c(C)nn(C)c1C)C1COC1 ZINC001203059130 960528381 /nfs/dbraw/zinc/52/83/81/960528381.db2.gz DERGAYALKXAJGD-UHFFFAOYSA-N 1 2 223.320 1.258 20 0 BDADLO COC(=O)C1CC[NH+](Cc2cc(C)n[nH]2)CC1 ZINC001203072939 960649745 /nfs/dbraw/zinc/64/97/45/960649745.db2.gz VNDCKYCKARSKAO-UHFFFAOYSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C1C[NH+](Cc2c(N)cccc2F)C1 ZINC001140872557 960659842 /nfs/dbraw/zinc/65/98/42/960659842.db2.gz FSWAIGJJWYLRLV-UHFFFAOYSA-N 1 2 238.262 1.013 20 0 BDADLO Cc1cc(C[NH+]2CCC(CF)CC2)n[nH]1 ZINC001203077431 960687714 /nfs/dbraw/zinc/68/77/14/960687714.db2.gz XYRIYKZWWHHFMB-UHFFFAOYSA-N 1 2 211.284 1.900 20 0 BDADLO Cc1cc(C[N@H+](C)CCc2cccnc2)n[nH]1 ZINC001203077262 960689934 /nfs/dbraw/zinc/68/99/34/960689934.db2.gz VDVCQYVSYOBKLX-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1cc(C[N@@H+](C)CCc2cccnc2)n[nH]1 ZINC001203077262 960689941 /nfs/dbraw/zinc/68/99/41/960689941.db2.gz VDVCQYVSYOBKLX-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cnco1 ZINC001140932579 960710849 /nfs/dbraw/zinc/71/08/49/960710849.db2.gz SZJZNFZIRTYIMR-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cnco1 ZINC001140932579 960710856 /nfs/dbraw/zinc/71/08/56/960710856.db2.gz SZJZNFZIRTYIMR-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(C)n[nH]1)C2 ZINC001203082062 960772054 /nfs/dbraw/zinc/77/20/54/960772054.db2.gz KFKVHTVEBDOIBS-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(C)n[nH]1)C2 ZINC001203082062 960772060 /nfs/dbraw/zinc/77/20/60/960772060.db2.gz KFKVHTVEBDOIBS-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO CCCOC1CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141044492 960828954 /nfs/dbraw/zinc/82/89/54/960828954.db2.gz LTCPXSNQNINARO-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOC2(CC2)C1 ZINC001141054856 960854311 /nfs/dbraw/zinc/85/43/11/960854311.db2.gz AXFFFNCYBBONLQ-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOC2(CC2)C1 ZINC001141054856 960854314 /nfs/dbraw/zinc/85/43/14/960854314.db2.gz AXFFFNCYBBONLQ-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO CCCCc1[nH]c(CN2CCN(C#N)CC2)c[nH+]1 ZINC001141074660 960856736 /nfs/dbraw/zinc/85/67/36/960856736.db2.gz QDAXMJOZXYYZLR-UHFFFAOYSA-N 1 2 247.346 1.351 20 0 BDADLO CCCCc1[nH]cc(CN2CCN(C#N)CC2)[nH+]1 ZINC001141074660 960856741 /nfs/dbraw/zinc/85/67/41/960856741.db2.gz QDAXMJOZXYYZLR-UHFFFAOYSA-N 1 2 247.346 1.351 20 0 BDADLO O=C1CN(Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001141242567 961019436 /nfs/dbraw/zinc/01/94/36/961019436.db2.gz AIJMUACQJBPKSV-UHFFFAOYSA-N 1 2 227.267 1.257 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)F ZINC001141979791 961200779 /nfs/dbraw/zinc/20/07/79/961200779.db2.gz XUCCTRABLQIOHZ-FSDSQADBSA-N 1 2 229.230 1.283 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)F ZINC001141979791 961200797 /nfs/dbraw/zinc/20/07/97/961200797.db2.gz XUCCTRABLQIOHZ-FSDSQADBSA-N 1 2 229.230 1.283 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC001142076645 961240140 /nfs/dbraw/zinc/24/01/40/961240140.db2.gz RTWGNGGRSXFJOH-QMMMGPOBSA-N 1 2 241.722 1.597 20 0 BDADLO CCOC(=O)CCc1cccnc1NC=[NH2+] ZINC001167865855 961344970 /nfs/dbraw/zinc/34/49/70/961344970.db2.gz VWYOVGMRIHZKOT-UHFFFAOYSA-N 1 2 221.260 1.596 20 0 BDADLO CCCOCCNc1ccn2cc(N)[nH+]c2c1 ZINC001167873324 961391617 /nfs/dbraw/zinc/39/16/17/961391617.db2.gz MWIRAOFOULGPSQ-UHFFFAOYSA-N 1 2 234.303 1.755 20 0 BDADLO O=C1CC[N@H+](Cc2csc(Cl)c2)CCN1 ZINC001142760455 961712288 /nfs/dbraw/zinc/71/22/88/961712288.db2.gz UUFLVUSUJCXARM-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO O=C1CC[N@@H+](Cc2csc(Cl)c2)CCN1 ZINC001142760455 961712304 /nfs/dbraw/zinc/71/23/04/961712304.db2.gz UUFLVUSUJCXARM-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO NC(=[NH2+])N(C(=O)C(F)F)c1ccccc1F ZINC001142789181 961757336 /nfs/dbraw/zinc/75/73/36/961757336.db2.gz HHEJJKUYIXUCIF-UHFFFAOYSA-N 1 2 231.177 1.317 20 0 BDADLO COC1(C)CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143017898 961864227 /nfs/dbraw/zinc/86/42/27/961864227.db2.gz AUYNZHIXZIWBTA-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO COc1cccc(C[N@@H+]2CCC[C@H]2C(C)=O)n1 ZINC001137536508 961882069 /nfs/dbraw/zinc/88/20/69/961882069.db2.gz IIAGZOAOCXTQQL-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO COc1cccc(C[N@H+]2CCC[C@H]2C(C)=O)n1 ZINC001137536508 961882071 /nfs/dbraw/zinc/88/20/71/961882071.db2.gz IIAGZOAOCXTQQL-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc3cccnc3[nH]2)C[C@@H]1F ZINC001143216260 961954048 /nfs/dbraw/zinc/95/40/48/961954048.db2.gz ALGVFTSEFRFZHK-RYUDHWBXSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc3cccnc3[nH]2)C[C@@H]1F ZINC001143216260 961954067 /nfs/dbraw/zinc/95/40/67/961954067.db2.gz ALGVFTSEFRFZHK-RYUDHWBXSA-N 1 2 249.289 1.732 20 0 BDADLO c1c2cccnc2[nH]c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001143224477 961964913 /nfs/dbraw/zinc/96/49/13/961964913.db2.gz SWLLQHWORNBGTD-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO c1c2cccnc2[nH]c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001143224477 961964932 /nfs/dbraw/zinc/96/49/32/961964932.db2.gz SWLLQHWORNBGTD-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO CC1(CC(F)F)C[NH+](Cc2cnccn2)C1 ZINC000843424507 962004709 /nfs/dbraw/zinc/00/47/09/962004709.db2.gz BYPGMVVKUWTZSP-UHFFFAOYSA-N 1 2 227.258 1.954 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167931586 962065128 /nfs/dbraw/zinc/06/51/28/962065128.db2.gz OSKIAOVUKIJILJ-SSRBZLIGSA-N 1 2 227.279 1.370 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167931586 962065149 /nfs/dbraw/zinc/06/51/49/962065149.db2.gz OSKIAOVUKIJILJ-SSRBZLIGSA-N 1 2 227.279 1.370 20 0 BDADLO CCCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC000045877196 962072031 /nfs/dbraw/zinc/07/20/31/962072031.db2.gz UZKCWOHUVLWJRH-SNVBAGLBSA-N 1 2 209.293 1.703 20 0 BDADLO Cc1cc(OC2C[NH+](C)C2)cc2c1NC(=O)C2 ZINC001225416995 962135910 /nfs/dbraw/zinc/13/59/10/962135910.db2.gz SHOUJQQLPHGPOZ-UHFFFAOYSA-N 1 2 232.283 1.182 20 0 BDADLO O=C(CCCC1CC1)NCC1C[NH+](CCF)C1 ZINC001268863264 962358768 /nfs/dbraw/zinc/35/87/68/962358768.db2.gz WQUWBOXSVILUKI-UHFFFAOYSA-N 1 2 242.338 1.584 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)[C@@]1(C)C[C@@H]3C=C[C@H]1C3)C2 ZINC001269080929 962446940 /nfs/dbraw/zinc/44/69/40/962446940.db2.gz RATNRUQDSUBDIW-DYEKYZERSA-N 1 2 246.354 1.505 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)[C@@]1(C)C[C@@H]3C=C[C@H]1C3)C2 ZINC001269080929 962446949 /nfs/dbraw/zinc/44/69/49/962446949.db2.gz RATNRUQDSUBDIW-DYEKYZERSA-N 1 2 246.354 1.505 20 0 BDADLO Cc1nc(C[NH2+]C2(CNC(=O)C3CC3)CC2)co1 ZINC001269362267 962625983 /nfs/dbraw/zinc/62/59/83/962625983.db2.gz WMJQJFLHJLJBAB-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1cn[nH]c1 ZINC000711738991 962755422 /nfs/dbraw/zinc/75/54/22/962755422.db2.gz ORPIHDKKKZCPOF-SECBINFHSA-N 1 2 231.303 1.792 20 0 BDADLO O=C(NC[C@H]1C[C@H](F)C1)c1cccc2[nH+]ccn21 ZINC001154526293 962796542 /nfs/dbraw/zinc/79/65/42/962796542.db2.gz PBMRVWMDOWRWOH-MGCOHNPYSA-N 1 2 247.273 1.812 20 0 BDADLO COc1cc(C)c[nH+]c1NCCn1ccnn1 ZINC001154622303 962814340 /nfs/dbraw/zinc/81/43/40/962814340.db2.gz IRVHXNBMMZBZAQ-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BDADLO Nc1cc(Cl)[nH+]c(NCC2COC2)c1 ZINC001154634581 962820600 /nfs/dbraw/zinc/82/06/00/962820600.db2.gz WTITUYDYVQYTJV-UHFFFAOYSA-N 1 2 213.668 1.376 20 0 BDADLO COCc1cc[nH+]c(NCC2COC2)c1 ZINC001154633856 962821617 /nfs/dbraw/zinc/82/16/17/962821617.db2.gz FOCQMKNHKAINRZ-UHFFFAOYSA-N 1 2 208.261 1.286 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@@H]1CCNC(=O)C1 ZINC001154934158 962913167 /nfs/dbraw/zinc/91/31/67/962913167.db2.gz PRIWJLOBSOHRDL-SECBINFHSA-N 1 2 237.278 1.467 20 0 BDADLO NC(=[NH2+])N(c1ccc(F)cc1)c1cccc[n+]1[O-] ZINC001167993517 963177590 /nfs/dbraw/zinc/17/75/90/963177590.db2.gz YPVPBELBLNUJEW-UHFFFAOYSA-N 1 2 246.245 1.491 20 0 BDADLO CC[C@@H](C)Nc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001167998011 963202534 /nfs/dbraw/zinc/20/25/34/963202534.db2.gz DCXNTSWNABQXKP-SSDOTTSWSA-N 1 2 221.260 1.623 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccn(C(C)C)n1 ZINC001155951508 963213275 /nfs/dbraw/zinc/21/32/75/963213275.db2.gz YKCQRQYNMHYRRR-JTQLQIEISA-N 1 2 236.319 1.497 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccn(C(C)C)n1 ZINC001155951508 963213283 /nfs/dbraw/zinc/21/32/83/963213283.db2.gz YKCQRQYNMHYRRR-JTQLQIEISA-N 1 2 236.319 1.497 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](F)c1ccccc1 ZINC001270948556 963306123 /nfs/dbraw/zinc/30/61/23/963306123.db2.gz RZRRQCBMSPKXHB-XQQFMLRXSA-N 1 2 248.301 1.612 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](F)c1ccccc1 ZINC001270948556 963306137 /nfs/dbraw/zinc/30/61/37/963306137.db2.gz RZRRQCBMSPKXHB-XQQFMLRXSA-N 1 2 248.301 1.612 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)C2(CC2)C1 ZINC001156401561 963331620 /nfs/dbraw/zinc/33/16/20/963331620.db2.gz IBLNVJCMJCBUDO-JTQLQIEISA-N 1 2 232.331 1.921 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)C2(CC2)C1 ZINC001156401561 963331631 /nfs/dbraw/zinc/33/16/31/963331631.db2.gz IBLNVJCMJCBUDO-JTQLQIEISA-N 1 2 232.331 1.921 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)[nH]1 ZINC000392413798 963374876 /nfs/dbraw/zinc/37/48/76/963374876.db2.gz FWPZLQYFGWKVBS-SSDOTTSWSA-N 1 2 247.327 1.897 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccccc2Cl)C1 ZINC001203377944 963376054 /nfs/dbraw/zinc/37/60/54/963376054.db2.gz ZPGLRWITYNTFQN-UHFFFAOYSA-N 1 2 239.702 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CO[C@@H](C)C2)c[nH+]1 ZINC001156538383 963378426 /nfs/dbraw/zinc/37/84/26/963378426.db2.gz SRXKSNRNWNNBOM-DTWKUNHWSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CO[C@@H](C)C2)[nH+]1 ZINC001156538383 963378430 /nfs/dbraw/zinc/37/84/30/963378430.db2.gz SRXKSNRNWNNBOM-DTWKUNHWSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]c(CNC(=O)CSC(F)F)c[nH+]1 ZINC001156537872 963378498 /nfs/dbraw/zinc/37/84/98/963378498.db2.gz ASTVGTMPYYNXFH-UHFFFAOYSA-N 1 2 249.286 1.544 20 0 BDADLO CCc1[nH]cc(CNC(=O)CSC(F)F)[nH+]1 ZINC001156537872 963378508 /nfs/dbraw/zinc/37/85/08/963378508.db2.gz ASTVGTMPYYNXFH-UHFFFAOYSA-N 1 2 249.286 1.544 20 0 BDADLO COc1cc(C)c[nH+]c1NCC(C)(C)C(N)=O ZINC001156738205 963450474 /nfs/dbraw/zinc/45/04/74/963450474.db2.gz CCROGPBAUXOQOM-UHFFFAOYSA-N 1 2 237.303 1.322 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001204383932 963451398 /nfs/dbraw/zinc/45/13/98/963451398.db2.gz OHPHJRGRNRHBMM-QWHCGFSZSA-N 1 2 247.342 1.754 20 0 BDADLO Nc1cc(CNc2cccnn2)cc[nH+]1 ZINC001156755680 963453400 /nfs/dbraw/zinc/45/34/00/963453400.db2.gz HPGQKYICZDCMKH-UHFFFAOYSA-N 1 2 201.233 1.066 20 0 BDADLO Nc1cc(CNc2ncnc3cc[nH]c32)cc[nH+]1 ZINC001156756023 963454447 /nfs/dbraw/zinc/45/44/47/963454447.db2.gz OKJYFRDTNXPDKB-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO CN(C)c1cc(N2Cc3ncsc3C2)nc[nH+]1 ZINC001156816109 963469582 /nfs/dbraw/zinc/46/95/82/963469582.db2.gz OXGQJHVUILZEGI-UHFFFAOYSA-N 1 2 247.327 1.519 20 0 BDADLO CN(C)c1cc(N2Cc3ncsc3C2)[nH+]cn1 ZINC001156816109 963469586 /nfs/dbraw/zinc/46/95/86/963469586.db2.gz OXGQJHVUILZEGI-UHFFFAOYSA-N 1 2 247.327 1.519 20 0 BDADLO Cc1cc(CN(C)C(=O)[C@@H](C)n2cc[nH+]c2)no1 ZINC000052606804 963499785 /nfs/dbraw/zinc/49/97/85/963499785.db2.gz OFBKLMJYWKHSIN-SNVBAGLBSA-N 1 2 248.286 1.399 20 0 BDADLO CC(C)[C@H](C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156965193 963502966 /nfs/dbraw/zinc/50/29/66/963502966.db2.gz VZJOJSZRRJSJLD-QMMMGPOBSA-N 1 2 246.314 1.919 20 0 BDADLO C[C@H](NC(=O)c1ccc2[nH+]c(N)[nH]c2c1)C1CC1 ZINC001156975047 963506368 /nfs/dbraw/zinc/50/63/68/963506368.db2.gz FBUHHNYHKXREGX-ZETCQYMHSA-N 1 2 244.298 1.673 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)COC2CC2)[nH+]1 ZINC001157125049 963534513 /nfs/dbraw/zinc/53/45/13/963534513.db2.gz QLUBPNCOMAUWNA-UHFFFAOYSA-N 1 2 237.303 1.328 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)COC2CC2)c[nH+]1 ZINC001157125049 963534518 /nfs/dbraw/zinc/53/45/18/963534518.db2.gz QLUBPNCOMAUWNA-UHFFFAOYSA-N 1 2 237.303 1.328 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1cccnn1 ZINC001157461325 963620722 /nfs/dbraw/zinc/62/07/22/963620722.db2.gz GMFCJGXFAMFDRS-UHFFFAOYSA-N 1 2 217.276 1.200 20 0 BDADLO Cc1nc(NCC(C)(C)C(C)(F)F)nc(N)[nH+]1 ZINC000697035811 963665801 /nfs/dbraw/zinc/66/58/01/963665801.db2.gz WQJSKLXRZWLIGE-UHFFFAOYSA-N 1 2 245.277 1.856 20 0 BDADLO Cc1nc(N)nc(NCC(C)(C)C(C)(F)F)[nH+]1 ZINC000697035811 963665809 /nfs/dbraw/zinc/66/58/09/963665809.db2.gz WQJSKLXRZWLIGE-UHFFFAOYSA-N 1 2 245.277 1.856 20 0 BDADLO Nc1cc(Cl)[nH+]c(NCC2CC(=O)C2)c1 ZINC001157607589 963676107 /nfs/dbraw/zinc/67/61/07/963676107.db2.gz KZBURBJQRGMNND-UHFFFAOYSA-N 1 2 225.679 1.708 20 0 BDADLO c1n[nH]cc1OC1C[NH+](Cc2ccccc2)C1 ZINC001228322166 963752707 /nfs/dbraw/zinc/75/27/07/963752707.db2.gz DDDANLTZOTVEQY-UHFFFAOYSA-N 1 2 229.283 1.673 20 0 BDADLO CCC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098734601 963759694 /nfs/dbraw/zinc/75/96/94/963759694.db2.gz QAQLGOBNTXBWRW-VIFPVBQESA-N 1 2 236.319 1.502 20 0 BDADLO C[C@]1(F)CCCCN(C(=O)C2(F)C[NH2+]C2)C1 ZINC001157905863 963761232 /nfs/dbraw/zinc/76/12/32/963761232.db2.gz XIIVNSOGVKBELG-JTQLQIEISA-N 1 2 232.274 1.039 20 0 BDADLO CCC(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H]1C ZINC001088435550 963771827 /nfs/dbraw/zinc/77/18/27/963771827.db2.gz GZZXLRABMOHKBP-KOLCDFICSA-N 1 2 237.303 1.164 20 0 BDADLO CCC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1C ZINC001088435550 963771829 /nfs/dbraw/zinc/77/18/29/963771829.db2.gz GZZXLRABMOHKBP-KOLCDFICSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088437904 963777715 /nfs/dbraw/zinc/77/77/15/963777715.db2.gz AYMOSHPOSXQJLS-PELKAZGASA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088437904 963777720 /nfs/dbraw/zinc/77/77/20/963777720.db2.gz AYMOSHPOSXQJLS-PELKAZGASA-N 1 2 237.303 1.082 20 0 BDADLO CCCNc1[nH+]ccc(OC)c1C(=O)OC ZINC001168132523 963821875 /nfs/dbraw/zinc/82/18/75/963821875.db2.gz LNSBNUQZONBCKL-UHFFFAOYSA-N 1 2 224.260 1.699 20 0 BDADLO CCCNc1cc[nH+]c(C(=O)OC)c1C ZINC001168138136 963837455 /nfs/dbraw/zinc/83/74/55/963837455.db2.gz YXDDTSVVYXKDCW-UHFFFAOYSA-N 1 2 208.261 1.999 20 0 BDADLO CCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158519784 963881919 /nfs/dbraw/zinc/88/19/19/963881919.db2.gz XWURRUJRGHCZJE-ZETCQYMHSA-N 1 2 244.232 1.393 20 0 BDADLO CCC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158519784 963881921 /nfs/dbraw/zinc/88/19/21/963881921.db2.gz XWURRUJRGHCZJE-ZETCQYMHSA-N 1 2 244.232 1.393 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C2CC2)nn1 ZINC001158706629 963906371 /nfs/dbraw/zinc/90/63/71/963906371.db2.gz CDRDVAAXQQAJLC-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C2CC2)nn1 ZINC001158706629 963906378 /nfs/dbraw/zinc/90/63/78/963906378.db2.gz CDRDVAAXQQAJLC-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO Cc1nc(N[C@H]2CCCOC2)c2c([nH+]1)CCC2 ZINC001158714410 963907510 /nfs/dbraw/zinc/90/75/10/963907510.db2.gz XTORHUHOXRHKQK-JTQLQIEISA-N 1 2 233.315 1.865 20 0 BDADLO OCC1(Nc2[nH+]cccc2-n2cccc2)COC1 ZINC001168172973 963909395 /nfs/dbraw/zinc/90/93/95/963909395.db2.gz CRAWSGKLYLQINZ-UHFFFAOYSA-N 1 2 245.282 1.046 20 0 BDADLO CN(CC(=O)c1ccccc1)Cc1c[nH+]cn1C ZINC001204386201 963916701 /nfs/dbraw/zinc/91/67/01/963916701.db2.gz RCCLXMBFBROFBE-UHFFFAOYSA-N 1 2 243.310 1.735 20 0 BDADLO C=CC(=O)NCCNc1ccc(C=C)c[nH+]1 ZINC001158835201 963938168 /nfs/dbraw/zinc/93/81/68/963938168.db2.gz OKAJKJCFQGLEJE-UHFFFAOYSA-N 1 2 217.272 1.439 20 0 BDADLO CO[C@@H]1COCC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC001168194904 963960607 /nfs/dbraw/zinc/96/06/07/963960607.db2.gz RHVWIMMWPNEIDE-CHWSQXEVSA-N 1 2 236.315 1.914 20 0 BDADLO CCc1nc(N2C[C@@H]3C(=O)CCC[C@@H]3C2)cc[nH+]1 ZINC001158999914 963972217 /nfs/dbraw/zinc/97/22/17/963972217.db2.gz IXVZJMQQQDUAPN-MNOVXSKESA-N 1 2 245.326 1.844 20 0 BDADLO CC(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001159003473 963972974 /nfs/dbraw/zinc/97/29/74/963972974.db2.gz IMDXVMWJAPJPPR-UHFFFAOYSA-N 1 2 249.314 1.333 20 0 BDADLO CC(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001159003473 963972978 /nfs/dbraw/zinc/97/29/78/963972978.db2.gz IMDXVMWJAPJPPR-UHFFFAOYSA-N 1 2 249.314 1.333 20 0 BDADLO c1nc2ccccn2c1C[NH+]1CC2(COC2)C1 ZINC001203144492 964121800 /nfs/dbraw/zinc/12/18/00/964121800.db2.gz LJIKZXMYLSLHMF-UHFFFAOYSA-N 1 2 229.283 1.167 20 0 BDADLO COc1c[nH+]c(N[C@H]2C[C@H](NC(C)=O)C2)c(C)c1 ZINC001159509222 964121949 /nfs/dbraw/zinc/12/19/49/964121949.db2.gz UJSMBRYUNHWYCO-XYPYZODXSA-N 1 2 249.314 1.478 20 0 BDADLO COc1ncccc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095383 964252727 /nfs/dbraw/zinc/25/27/27/964252727.db2.gz FPZPCWZUOIEGDT-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO COC(=O)C[C@@H](C)Nc1ccc(Cl)c(N)[nH+]1 ZINC001160531919 964329954 /nfs/dbraw/zinc/32/99/54/964329954.db2.gz HMKFVVZFUVPDFK-ZCFIWIBFSA-N 1 2 243.694 1.681 20 0 BDADLO C=Cc1ccc(NC[C@@H](C)CNC(C)=O)[nH+]c1 ZINC001160657615 964377416 /nfs/dbraw/zinc/37/74/16/964377416.db2.gz ZKQOQUOLWNNKFJ-JTQLQIEISA-N 1 2 233.315 1.909 20 0 BDADLO CCC1(Nc2cc3c(c[nH+]2)OCC(=O)N3)COC1 ZINC001168316228 964437910 /nfs/dbraw/zinc/43/79/10/964437910.db2.gz DEVSANDGTANQSM-UHFFFAOYSA-N 1 2 249.270 1.003 20 0 BDADLO COc1cc[nH+]cc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168346396 964485921 /nfs/dbraw/zinc/48/59/21/964485921.db2.gz OUEXKOXHVNZCPH-WVSHTKLVSA-N 1 2 222.288 1.663 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001161466443 964608079 /nfs/dbraw/zinc/60/80/79/964608079.db2.gz YSVLPFIRMRYMEF-AXFHLTTASA-N 1 2 237.303 1.128 20 0 BDADLO CC(=O)NCCNc1[nH+]cccc1-n1cccc1 ZINC001161654593 964665799 /nfs/dbraw/zinc/66/57/99/964665799.db2.gz PKJHGPZVCRJSND-UHFFFAOYSA-N 1 2 244.298 1.420 20 0 BDADLO CC(=O)NCCNc1cc2cc(C)[nH]c2c[nH+]1 ZINC001161654602 964667638 /nfs/dbraw/zinc/66/76/38/964667638.db2.gz PVTMOHNDJPAHEC-UHFFFAOYSA-N 1 2 232.287 1.419 20 0 BDADLO COc1nccc(NCCCn2cc[nH+]c2)n1 ZINC001161681393 964684992 /nfs/dbraw/zinc/68/49/92/964684992.db2.gz WAZXPTUALFKLEY-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO c1cc2[n-][nH+]c(NCCCn3cc[nH+]c3)cc-2n1 ZINC001161682498 964685367 /nfs/dbraw/zinc/68/53/67/964685367.db2.gz SAYOCZTYCHHHJS-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO Cc1ccc(NCCCn2cc[nH+]c2)[n+]([O-])c1 ZINC001161688472 964688434 /nfs/dbraw/zinc/68/84/34/964688434.db2.gz TXJZFZLUUDMXGN-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO O=C(Nc1ncccc1O)[C@H]1CC2CC[NH+]1CC2 ZINC001142626070 964711983 /nfs/dbraw/zinc/71/19/83/964711983.db2.gz CUEPOBAQXFPYAW-SNVBAGLBSA-N 1 2 247.298 1.210 20 0 BDADLO Cc1cncnc1NC(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142629717 964718945 /nfs/dbraw/zinc/71/89/45/964718945.db2.gz VPDXAPDYHZCOEY-NSHDSACASA-N 1 2 246.314 1.208 20 0 BDADLO O=C1COc2c[nH+]c(NC3CC(F)C3)cc2N1 ZINC001162207733 964868371 /nfs/dbraw/zinc/86/83/71/964868371.db2.gz PBWLRVQJRNIGFE-UHFFFAOYSA-N 1 2 237.234 1.325 20 0 BDADLO CN(C)c1ccc(NC[C@H](O)c2ccco2)[nH+]c1 ZINC001162260898 964893414 /nfs/dbraw/zinc/89/34/14/964893414.db2.gz KGLMFCZJNHGUPU-NSHDSACASA-N 1 2 247.298 1.886 20 0 BDADLO Cc1cc(NC[C@H]2CCNC(=O)C2)c[nH+]c1C ZINC001162331793 964935448 /nfs/dbraw/zinc/93/54/48/964935448.db2.gz BGXZICGPOUVPNV-NSHDSACASA-N 1 2 233.315 1.637 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231663076 965279303 /nfs/dbraw/zinc/27/93/03/965279303.db2.gz LCNWBMOUZOVBSC-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231663076 965279311 /nfs/dbraw/zinc/27/93/11/965279311.db2.gz LCNWBMOUZOVBSC-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CCCNc1cc(NCCC[C@@H](C)O)nc[nH+]1 ZINC000227852265 965279727 /nfs/dbraw/zinc/27/97/27/965279727.db2.gz FUUCMLRUXPWEBX-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NCCC[C@@H](C)O)[nH+]cn1 ZINC000227852265 965279735 /nfs/dbraw/zinc/27/97/35/965279735.db2.gz FUUCMLRUXPWEBX-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO Nc1cc(N[C@@H]2CCc3c2cccc3O)[nH+]cn1 ZINC001163194556 965293955 /nfs/dbraw/zinc/29/39/55/965293955.db2.gz FEQMUJXXEFNOAV-SNVBAGLBSA-N 1 2 242.282 1.864 20 0 BDADLO CNc1ccc(Nc2c(C)cnn2C)c[nH+]1 ZINC001203450199 965549547 /nfs/dbraw/zinc/54/95/47/965549547.db2.gz XNRRQEFTZNBBEK-UHFFFAOYSA-N 1 2 217.276 1.909 20 0 BDADLO CN(Cc1ncccn1)c1ccc(Cl)c(N)[nH+]1 ZINC001163927087 965639230 /nfs/dbraw/zinc/63/92/30/965639230.db2.gz RDORKOLMYDRVTD-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO Cc1nc(N2CCCO[C@@H](C)C2)c2c([nH+]1)CCC2 ZINC001163962692 965662954 /nfs/dbraw/zinc/66/29/54/965662954.db2.gz NAXCZCWAWARTBH-JTQLQIEISA-N 1 2 247.342 1.889 20 0 BDADLO Nc1cc(Cl)[nH+]c(N2Cc3cncnc3C2)c1 ZINC001163984675 965680267 /nfs/dbraw/zinc/68/02/67/965680267.db2.gz ZCNAAWHPWMBKTL-UHFFFAOYSA-N 1 2 247.689 1.627 20 0 BDADLO Cc1c[nH+]cc(NC[C@H]2CCC(=O)N2)c1C ZINC001164166493 965772995 /nfs/dbraw/zinc/77/29/95/965772995.db2.gz CDRLPRZZCZRNHB-SNVBAGLBSA-N 1 2 219.288 1.389 20 0 BDADLO CCc1cc(N2C[C@@H](F)[C@H](F)C2)nc(C)[nH+]1 ZINC001164211399 965796938 /nfs/dbraw/zinc/79/69/38/965796938.db2.gz WCJWWAXLBDMIBR-NXEZZACHSA-N 1 2 227.258 1.844 20 0 BDADLO C=Cc1cccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001164304808 965839425 /nfs/dbraw/zinc/83/94/25/965839425.db2.gz GLGWNRCBVNRILP-STQMWFEESA-N 1 2 246.310 1.645 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(COC)ccn1 ZINC001164378387 965866227 /nfs/dbraw/zinc/86/62/27/965866227.db2.gz LKCKBJAPGHUREW-NSHDSACASA-N 1 2 249.314 1.261 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(COC)ccn1 ZINC001164378387 965866235 /nfs/dbraw/zinc/86/62/35/965866235.db2.gz LKCKBJAPGHUREW-NSHDSACASA-N 1 2 249.314 1.261 20 0 BDADLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(C)n1 ZINC001164488501 965895989 /nfs/dbraw/zinc/89/59/89/965895989.db2.gz FWSFTNZXDIDSCY-UHFFFAOYSA-N 1 2 242.273 1.138 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@](C)(O)C1 ZINC001165227790 965993901 /nfs/dbraw/zinc/99/39/01/965993901.db2.gz FEPRKZBKEVBKJY-ZDUSSCGKSA-N 1 2 249.314 1.310 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@](C)(O)C1 ZINC001165229783 965997930 /nfs/dbraw/zinc/99/79/30/965997930.db2.gz RVFHHYXBMJILER-LBPRGKRZSA-N 1 2 222.288 1.360 20 0 BDADLO CCN(CCNc1cc[nH+]c(C)n1)C(C)=O ZINC001106650007 966026988 /nfs/dbraw/zinc/02/69/88/966026988.db2.gz SUYRHUSVQQJPBV-UHFFFAOYSA-N 1 2 222.292 1.065 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(C)c1ccccc1OC ZINC001165645034 966143641 /nfs/dbraw/zinc/14/36/41/966143641.db2.gz KMLBZHAIQOHDHI-LBPRGKRZSA-N 1 2 248.326 1.752 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(C)c1ccccc1OC ZINC001165645034 966143654 /nfs/dbraw/zinc/14/36/54/966143654.db2.gz KMLBZHAIQOHDHI-LBPRGKRZSA-N 1 2 248.326 1.752 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1CC=CC1 ZINC001123474411 966184937 /nfs/dbraw/zinc/18/49/37/966184937.db2.gz ZEKXEHOKBYARNI-UHFFFAOYSA-N 1 2 220.272 1.912 20 0 BDADLO C[C@H](CCO)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001165893443 966195439 /nfs/dbraw/zinc/19/54/39/966195439.db2.gz KACIWGDYTJCTFV-LLVKDONJSA-N 1 2 246.314 1.509 20 0 BDADLO C[C@@H]1C(=O)NCCN1c1[nH+]ccc2ccccc21 ZINC001166558056 966302149 /nfs/dbraw/zinc/30/21/49/966302149.db2.gz TWKOSOBUQSWDKF-SNVBAGLBSA-N 1 2 241.294 1.560 20 0 BDADLO CN1CC[C@@H](Nc2cc3cc[nH]c3c[nH+]2)C1=O ZINC001166637131 966342984 /nfs/dbraw/zinc/34/29/84/966342984.db2.gz QLIXZPLBTSTIMS-SECBINFHSA-N 1 2 230.271 1.206 20 0 BDADLO CCc1cn(CC[C@H]2COC(C)(C)O2)c[nH+]1 ZINC001166823010 966427917 /nfs/dbraw/zinc/42/79/17/966427917.db2.gz QBKGGOQUBYXTIG-NSHDSACASA-N 1 2 224.304 1.987 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccc2c1OCC2 ZINC001166854261 966432156 /nfs/dbraw/zinc/43/21/56/966432156.db2.gz JUJFIKXPWKTKTR-UHFFFAOYSA-N 1 2 243.266 1.526 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCC[C@@H](C(N)=O)C1 ZINC001166932366 966446505 /nfs/dbraw/zinc/44/65/05/966446505.db2.gz CUUMZBJKRHLRHF-SNVBAGLBSA-N 1 2 249.314 1.100 20 0 BDADLO Cc1nc(N2CC3(CCO3)C2)c2c([nH+]1)CCC2 ZINC001166942469 966466482 /nfs/dbraw/zinc/46/64/82/966466482.db2.gz VMDWEKXEDIIMAL-UHFFFAOYSA-N 1 2 231.299 1.253 20 0 BDADLO C[N@H+](Cc1cnc2ccccn12)C1(C)COC1 ZINC001203155514 966531136 /nfs/dbraw/zinc/53/11/36/966531136.db2.gz UFINPACGQVVYOQ-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1cnc2ccccn12)C1(C)COC1 ZINC001203155514 966531141 /nfs/dbraw/zinc/53/11/41/966531141.db2.gz UFINPACGQVVYOQ-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cccn1C ZINC001203257292 966583189 /nfs/dbraw/zinc/58/31/89/966583189.db2.gz ICYMEWFPVUDFBC-SMDDNHRTSA-N 1 2 248.326 1.553 20 0 BDADLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cccn1C ZINC001203257292 966583198 /nfs/dbraw/zinc/58/31/98/966583198.db2.gz ICYMEWFPVUDFBC-SMDDNHRTSA-N 1 2 248.326 1.553 20 0 BDADLO Cn1cccc1C[N@@H+]1CCn2nccc2C1 ZINC001203270928 966592160 /nfs/dbraw/zinc/59/21/60/966592160.db2.gz TWTAJJMJMGDWKO-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1cccc1C[N@H+]1CCn2nccc2C1 ZINC001203270928 966592166 /nfs/dbraw/zinc/59/21/66/966592166.db2.gz TWTAJJMJMGDWKO-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccco3)[C@@H]2C1 ZINC001203273213 966593538 /nfs/dbraw/zinc/59/35/38/966593538.db2.gz WWGZOXBZCCKYEV-CYZMBNFOSA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccco3)[C@@H]2C1 ZINC001203273213 966593543 /nfs/dbraw/zinc/59/35/43/966593543.db2.gz WWGZOXBZCCKYEV-CYZMBNFOSA-N 1 2 237.299 1.251 20 0 BDADLO Cn1ncc2c1C[N@H+](Cc1ccco1)CC2 ZINC001203284033 966594569 /nfs/dbraw/zinc/59/45/69/966594569.db2.gz QGXXKLQNHBHWQU-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1ncc2c1C[N@@H+](Cc1ccco1)CC2 ZINC001203284033 966594581 /nfs/dbraw/zinc/59/45/81/966594581.db2.gz QGXXKLQNHBHWQU-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1F ZINC001203289638 966603591 /nfs/dbraw/zinc/60/35/91/966603591.db2.gz KFHPSVIYMQJQCK-WDEREUQCSA-N 1 2 213.252 1.757 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1F ZINC001203289638 966603598 /nfs/dbraw/zinc/60/35/98/966603598.db2.gz KFHPSVIYMQJQCK-WDEREUQCSA-N 1 2 213.252 1.757 20 0 BDADLO CNc1ccc(Nc2cnn(CCOC)c2)c[nH+]1 ZINC001203449438 966647097 /nfs/dbraw/zinc/64/70/97/966647097.db2.gz GDXYWQZWPAFYBD-UHFFFAOYSA-N 1 2 247.302 1.710 20 0 BDADLO CNc1ccc(Nc2cnc(OC)nc2C)c[nH+]1 ZINC001203449586 966650555 /nfs/dbraw/zinc/65/05/55/966650555.db2.gz KLLZVGWVLIFARB-UHFFFAOYSA-N 1 2 245.286 1.974 20 0 BDADLO Cc1ncncc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001238164082 966726810 /nfs/dbraw/zinc/72/68/10/966726810.db2.gz JOVLPCRMHCSXDJ-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)c1 ZINC001203817939 966784787 /nfs/dbraw/zinc/78/47/87/966784787.db2.gz PYLMMQLYQHUTKL-QWHCGFSZSA-N 1 2 239.290 1.864 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H](OC)[C@@H](F)C2)c1 ZINC001203817939 966784797 /nfs/dbraw/zinc/78/47/97/966784797.db2.gz PYLMMQLYQHUTKL-QWHCGFSZSA-N 1 2 239.290 1.864 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)n1 ZINC001204374618 966979314 /nfs/dbraw/zinc/97/93/14/966979314.db2.gz MZAQEEBSOSEICU-RKDXNWHRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)n1 ZINC001204374618 966979319 /nfs/dbraw/zinc/97/93/19/966979319.db2.gz MZAQEEBSOSEICU-RKDXNWHRSA-N 1 2 230.308 1.356 20 0 BDADLO Nc1cccc2c1cnn2-c1ccc[nH+]c1N ZINC001212399827 967046283 /nfs/dbraw/zinc/04/62/83/967046283.db2.gz MCPKYNSBXHAYRY-UHFFFAOYSA-N 1 2 225.255 1.585 20 0 BDADLO Cc1cc(-n2ncc3cc(N)cnc32)c[nH+]c1N ZINC001249783749 967058242 /nfs/dbraw/zinc/05/82/42/967058242.db2.gz BBXDQANDXRRTDC-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1cc(-n2ncc3cc(N)ncc32)c[nH+]c1N ZINC001249784510 967061648 /nfs/dbraw/zinc/06/16/48/967061648.db2.gz PNJWNEYSDUYKFH-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1cc(C)cc(CC[N@H+]2CCN(C)C(=O)C2)c1 ZINC001204648953 967113500 /nfs/dbraw/zinc/11/35/00/967113500.db2.gz YTWBJIRNFQJQNV-UHFFFAOYSA-N 1 2 246.354 1.620 20 0 BDADLO Cc1cc(C)cc(CC[N@@H+]2CCN(C)C(=O)C2)c1 ZINC001204648953 967113513 /nfs/dbraw/zinc/11/35/13/967113513.db2.gz YTWBJIRNFQJQNV-UHFFFAOYSA-N 1 2 246.354 1.620 20 0 BDADLO C[N@@H+]1CCO[C@H](COCC(=O)c2ccccc2)C1 ZINC001204722922 967140548 /nfs/dbraw/zinc/14/05/48/967140548.db2.gz MOLSVHGHMMLTKE-ZDUSSCGKSA-N 1 2 249.310 1.217 20 0 BDADLO C[N@H+]1CCO[C@H](COCC(=O)c2ccccc2)C1 ZINC001204722922 967140553 /nfs/dbraw/zinc/14/05/53/967140553.db2.gz MOLSVHGHMMLTKE-ZDUSSCGKSA-N 1 2 249.310 1.217 20 0 BDADLO CCOC(=O)C(=O)Cc1cc(C)[nH+]c(C)c1 ZINC001249913248 967149150 /nfs/dbraw/zinc/14/91/50/967149150.db2.gz GOQHYVPDXZNRFI-UHFFFAOYSA-N 1 2 221.256 1.373 20 0 BDADLO COc1cc(C[NH+]2CCOCC2)ccc1NC#N ZINC001168636635 967161631 /nfs/dbraw/zinc/16/16/31/967161631.db2.gz RMMCIXNFSJCHMC-UHFFFAOYSA-N 1 2 247.298 1.420 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)n[nH]1 ZINC001116439027 967163939 /nfs/dbraw/zinc/16/39/39/967163939.db2.gz CQZRDPKEZAPAME-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)n[nH]1 ZINC001116439027 967163942 /nfs/dbraw/zinc/16/39/42/967163942.db2.gz CQZRDPKEZAPAME-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO COc1ncc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001239845514 967225420 /nfs/dbraw/zinc/22/54/20/967225420.db2.gz UTLNRBYPFQFYIT-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Cn1cnc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204951689 967252935 /nfs/dbraw/zinc/25/29/35/967252935.db2.gz WYTHWHQNEMZGCN-UHFFFAOYSA-N 1 2 214.232 1.206 20 0 BDADLO CNc1ccc(Nc2cnc(C)cn2)c[nH+]1 ZINC001203447244 967266068 /nfs/dbraw/zinc/26/60/68/967266068.db2.gz KKGMOZDAACRQPZ-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO Cc1ncc(Nc2ccn3cc[nH+]c3c2)c(=O)[nH]1 ZINC001204971371 967269147 /nfs/dbraw/zinc/26/91/47/967269147.db2.gz JYLJCLOQHPOVPS-UHFFFAOYSA-N 1 2 241.254 1.882 20 0 BDADLO CNC(=O)c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001240014286 967276348 /nfs/dbraw/zinc/27/63/48/967276348.db2.gz HLHBINIPALYMIV-UHFFFAOYSA-N 1 2 227.267 1.690 20 0 BDADLO COc1ccc(C(N)=O)cc1-c1cc[nH+]c(N)c1 ZINC001205213562 967431093 /nfs/dbraw/zinc/43/10/93/967431093.db2.gz BRCYXOUIXFZRJO-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO Nc1c(Cl)cccc1CC[NH+]1CCOCC1 ZINC001250276367 967611072 /nfs/dbraw/zinc/61/10/72/967611072.db2.gz CUJDNALSCVKPGL-UHFFFAOYSA-N 1 2 240.734 1.797 20 0 BDADLO CNc1ccccc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001205450452 967633149 /nfs/dbraw/zinc/63/31/49/967633149.db2.gz IYMIJMUOYMXQAJ-NSHDSACASA-N 1 2 247.342 1.391 20 0 BDADLO CNc1ccccc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001205450452 967633158 /nfs/dbraw/zinc/63/31/58/967633158.db2.gz IYMIJMUOYMXQAJ-NSHDSACASA-N 1 2 247.342 1.391 20 0 BDADLO OCC1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000084989522 967640554 /nfs/dbraw/zinc/64/05/54/967640554.db2.gz JKMGALBXWYXSQN-UHFFFAOYSA-N 1 2 229.682 1.903 20 0 BDADLO OCCc1cccc(CCn2cc[nH+]c2)c1 ZINC001250316156 967676545 /nfs/dbraw/zinc/67/65/45/967676545.db2.gz CETKURKEWNBELM-UHFFFAOYSA-N 1 2 216.284 1.661 20 0 BDADLO CC(C)(O)c1cncc(CCn2cc[nH+]c2)c1 ZINC001250315479 967680230 /nfs/dbraw/zinc/68/02/30/967680230.db2.gz NHLUPQNHNKBFDY-UHFFFAOYSA-N 1 2 231.299 1.748 20 0 BDADLO CCNC(=O)c1ccc(CCn2cc[nH+]c2)cc1 ZINC001250316223 967680738 /nfs/dbraw/zinc/68/07/38/967680738.db2.gz DORFRSMSCHCPNW-UHFFFAOYSA-N 1 2 243.310 1.876 20 0 BDADLO c1cn(CCc2cnn(CC3CC3)c2)c[nH+]1 ZINC001250315469 967681402 /nfs/dbraw/zinc/68/14/02/967681402.db2.gz NBTCJKJLYCNWQI-UHFFFAOYSA-N 1 2 216.288 1.732 20 0 BDADLO Oc1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250316699 967686519 /nfs/dbraw/zinc/68/65/19/967686519.db2.gz TVGORMZSXCMDMJ-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO c1cc2c([nH+]c1NCC1COC1)CCOC2 ZINC001161945767 967692356 /nfs/dbraw/zinc/69/23/56/967692356.db2.gz GYLIHWNSJDHHAZ-UHFFFAOYSA-N 1 2 220.272 1.213 20 0 BDADLO Oc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250319995 967698182 /nfs/dbraw/zinc/69/81/82/967698182.db2.gz WRQNUZPQKIQEJS-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO OCc1cc(CCn2cc[nH+]c2)ccc1O ZINC001250321292 967698691 /nfs/dbraw/zinc/69/86/91/967698691.db2.gz ZXFTUYWCEIRWMG-UHFFFAOYSA-N 1 2 218.256 1.324 20 0 BDADLO FC(F)(F)Cn1cc(CCn2cc[nH+]c2)cn1 ZINC001250320876 967698764 /nfs/dbraw/zinc/69/87/64/967698764.db2.gz RSVXSWZNZAHFAO-UHFFFAOYSA-N 1 2 244.220 1.885 20 0 BDADLO Cc1ccc(CCn2cc[nH+]c2)c(CO)c1 ZINC001250320982 967699007 /nfs/dbraw/zinc/69/90/07/967699007.db2.gz UTMFMNBIVDWNLM-UHFFFAOYSA-N 1 2 216.284 1.927 20 0 BDADLO Cc1noc(Cc2ccc[nH+]c2N2CCCC2)n1 ZINC001250357195 967766197 /nfs/dbraw/zinc/76/61/97/967766197.db2.gz XFNDGOHKPSOHOG-UHFFFAOYSA-N 1 2 244.298 1.964 20 0 BDADLO c1nocc1C[NH+]1CCN(c2cccnc2)CC1 ZINC001205677787 967769845 /nfs/dbraw/zinc/76/98/45/967769845.db2.gz NOQZNSNGIBFJNS-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO COCc1nc(Cc2ccc(N(C)C)[nH+]c2)no1 ZINC001250368414 967776478 /nfs/dbraw/zinc/77/64/78/967776478.db2.gz PZLQBIMTXZEVGO-UHFFFAOYSA-N 1 2 248.286 1.268 20 0 BDADLO Cc1cc(Cc2c[nH+]c(C)c(N)c2)n(C)n1 ZINC001250420088 967829199 /nfs/dbraw/zinc/82/91/99/967829199.db2.gz UGRRGPYXWRCFRI-UHFFFAOYSA-N 1 2 216.288 1.605 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1ncccc1C ZINC001205813825 967833808 /nfs/dbraw/zinc/83/38/08/967833808.db2.gz KHDJTGDKJJTUKL-LBPRGKRZSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1ncccc1C ZINC001205813825 967833810 /nfs/dbraw/zinc/83/38/10/967833810.db2.gz KHDJTGDKJJTUKL-LBPRGKRZSA-N 1 2 236.315 1.237 20 0 BDADLO CCc1[nH]c2cc3c(cc2[nH+]1)OCC(=O)N3 ZINC001250426633 967844107 /nfs/dbraw/zinc/84/41/07/967844107.db2.gz OPMGZIURZVPRLE-UHFFFAOYSA-N 1 2 217.228 1.456 20 0 BDADLO Cc1cc(NC2(C(N)=O)CC2)ccc1[NH+](C)C ZINC001162549563 967865761 /nfs/dbraw/zinc/86/57/61/967865761.db2.gz POANEWAXIRQEFZ-UHFFFAOYSA-N 1 2 233.315 1.491 20 0 BDADLO CCn1cnc(Cl)c1C[N@H+](C)C[C@@H](C)O ZINC001205980123 967920975 /nfs/dbraw/zinc/92/09/75/967920975.db2.gz DKOGOGVBWLBTLX-MRVPVSSYSA-N 1 2 231.727 1.369 20 0 BDADLO CCn1cnc(Cl)c1C[N@@H+](C)C[C@@H](C)O ZINC001205980123 967920997 /nfs/dbraw/zinc/92/09/97/967920997.db2.gz DKOGOGVBWLBTLX-MRVPVSSYSA-N 1 2 231.727 1.369 20 0 BDADLO Cc1ccc(-c2c[nH+]c(N)cc2C)nn1 ZINC001250520137 968025980 /nfs/dbraw/zinc/02/59/80/968025980.db2.gz QTIRBQKFQJHKMW-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@]3(CCO3)C2)co1 ZINC001206073794 968042188 /nfs/dbraw/zinc/04/21/88/968042188.db2.gz DJVRHKBEAOXNTI-LBPRGKRZSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@]3(CCO3)C2)co1 ZINC001206073794 968042199 /nfs/dbraw/zinc/04/21/99/968042199.db2.gz DJVRHKBEAOXNTI-LBPRGKRZSA-N 1 2 222.288 1.738 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2coc(C)n2)C1 ZINC001206087331 968058352 /nfs/dbraw/zinc/05/83/52/968058352.db2.gz PJTWVZUBKJKKJP-MRVPVSSYSA-N 1 2 210.277 1.450 20 0 BDADLO Cn1ccc(Nc2ccn3cc[nH+]c3c2)cc1=O ZINC001206092268 968060876 /nfs/dbraw/zinc/06/08/76/968060876.db2.gz XYFSMWFTYCTLPT-UHFFFAOYSA-N 1 2 240.266 1.777 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)[nH]1 ZINC001206221417 968149322 /nfs/dbraw/zinc/14/93/22/968149322.db2.gz GJKGHSMJQXYUGR-SNVBAGLBSA-N 1 2 247.264 1.789 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)[nH]1 ZINC001206221417 968149328 /nfs/dbraw/zinc/14/93/28/968149328.db2.gz GJKGHSMJQXYUGR-SNVBAGLBSA-N 1 2 247.264 1.789 20 0 BDADLO Cc1cc(N[C@@H]2C=CS(=O)(=O)C2)c[nH+]c1C ZINC001164014694 968157201 /nfs/dbraw/zinc/15/72/01/968157201.db2.gz BHYZBQXKMMYXAJ-SNVBAGLBSA-N 1 2 238.312 1.421 20 0 BDADLO N=C1C=CC(Cl)=C(N)[N@H+]1c1ccccc1N ZINC001206315754 968223590 /nfs/dbraw/zinc/22/35/90/968223590.db2.gz VKPZMKPYHAQWNX-UHFFFAOYSA-N 1 2 234.690 1.775 20 0 BDADLO N=C1C=CC(Cl)=C(N)[N@@H+]1c1ccccc1N ZINC001206315754 968223601 /nfs/dbraw/zinc/22/36/01/968223601.db2.gz VKPZMKPYHAQWNX-UHFFFAOYSA-N 1 2 234.690 1.775 20 0 BDADLO O[C@@H]1COCCN(c2cc3ccccc3c[nH+]2)C1 ZINC001164506560 968237611 /nfs/dbraw/zinc/23/76/11/968237611.db2.gz DYBLNWIEFCJSQP-ZDUSSCGKSA-N 1 2 244.294 1.432 20 0 BDADLO O[C@@H](C[NH2+]Cc1ncco1)COc1ccccc1 ZINC001251151231 968270103 /nfs/dbraw/zinc/27/01/03/968270103.db2.gz YBQJPUGAKBRIPI-NSHDSACASA-N 1 2 248.282 1.204 20 0 BDADLO COC1(C[N@H+](C)Cc2nc(C)no2)CCC1 ZINC001119302134 968316220 /nfs/dbraw/zinc/31/62/20/968316220.db2.gz OFFARZHEUBXSRJ-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COC1(C[N@@H+](C)Cc2nc(C)no2)CCC1 ZINC001119302134 968316229 /nfs/dbraw/zinc/31/62/29/968316229.db2.gz OFFARZHEUBXSRJ-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001251778060 968318784 /nfs/dbraw/zinc/31/87/84/968318784.db2.gz QBJXIOQSPZJYOK-YPMHNXCESA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001251778060 968318794 /nfs/dbraw/zinc/31/87/94/968318794.db2.gz QBJXIOQSPZJYOK-YPMHNXCESA-N 1 2 236.315 1.226 20 0 BDADLO C[C@H](O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001251956749 968388221 /nfs/dbraw/zinc/38/82/21/968388221.db2.gz QISVJKNSUOWNEK-JTQLQIEISA-N 1 2 221.304 1.475 20 0 BDADLO Cc1cc(N(C)CC2COC2)nc(C2CC2)[nH+]1 ZINC001166948943 968401564 /nfs/dbraw/zinc/40/15/64/968401564.db2.gz OXAZKOAMTMSYGF-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@H](C)O)C(=O)OC ZINC001251978083 968420034 /nfs/dbraw/zinc/42/00/34/968420034.db2.gz LCCSRWDEZWPECY-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1ccc(OCCOC2C[NH+](C)C2)cc1 ZINC001206624467 968424054 /nfs/dbraw/zinc/42/40/54/968424054.db2.gz UPYQPDYDBLNALL-UHFFFAOYSA-N 1 2 221.300 1.704 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252015273 968438820 /nfs/dbraw/zinc/43/88/20/968438820.db2.gz WNJOJAOQCBWEFE-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252015273 968438824 /nfs/dbraw/zinc/43/88/24/968438824.db2.gz WNJOJAOQCBWEFE-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC001168765871 968480431 /nfs/dbraw/zinc/48/04/31/968480431.db2.gz NPQVECJLAZWBOL-BXKDBHETSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC001168765871 968480441 /nfs/dbraw/zinc/48/04/41/968480441.db2.gz NPQVECJLAZWBOL-BXKDBHETSA-N 1 2 236.315 1.755 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CCOCC3)no1 ZINC001206818975 968489724 /nfs/dbraw/zinc/48/97/24/968489724.db2.gz OCFJYECDWKTUHJ-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO COC(=O)CC[N@H+](Cc1cc(C)on1)C1CC1 ZINC001206821869 968492292 /nfs/dbraw/zinc/49/22/92/968492292.db2.gz CRLFBJZOIQMKLP-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)CC[N@@H+](Cc1cc(C)on1)C1CC1 ZINC001206821869 968492295 /nfs/dbraw/zinc/49/22/95/968492295.db2.gz CRLFBJZOIQMKLP-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO CCCC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001252079302 968496463 /nfs/dbraw/zinc/49/64/63/968496463.db2.gz MXFWWGIQOKYSNP-VIFPVBQESA-N 1 2 249.318 1.326 20 0 BDADLO CC[N@H+](Cc1cc(C)ccn1)C1COC1 ZINC001206853442 968499620 /nfs/dbraw/zinc/49/96/20/968499620.db2.gz UBYXPGRQMUDNNK-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1cc(C)ccn1)C1COC1 ZINC001206853442 968499622 /nfs/dbraw/zinc/49/96/22/968499622.db2.gz UBYXPGRQMUDNNK-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CSCC ZINC000164135357 968508837 /nfs/dbraw/zinc/50/88/37/968508837.db2.gz JJVONTSGFGGPJB-IUCAKERBSA-N 1 2 219.350 1.669 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3COC[C@H]3C2)nc[nH+]1 ZINC001120057879 968516459 /nfs/dbraw/zinc/51/64/59/968516459.db2.gz PEAVHZJUIKDDSK-WDEREUQCSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3COC[C@H]3C2)[nH+]cn1 ZINC001120057879 968516461 /nfs/dbraw/zinc/51/64/61/968516461.db2.gz PEAVHZJUIKDDSK-WDEREUQCSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3COC[C@@H]3C2)nc[nH+]1 ZINC001120057875 968517979 /nfs/dbraw/zinc/51/79/79/968517979.db2.gz PEAVHZJUIKDDSK-QWRGUYRKSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3COC[C@@H]3C2)[nH+]cn1 ZINC001120057875 968517984 /nfs/dbraw/zinc/51/79/84/968517984.db2.gz PEAVHZJUIKDDSK-QWRGUYRKSA-N 1 2 248.330 1.015 20 0 BDADLO C[C@H]1CC[C@@H](CO)N1Cc1[nH+]cc2ccccn21 ZINC001207049179 968580185 /nfs/dbraw/zinc/58/01/85/968580185.db2.gz QEIHDUOBUXOBLP-AAEUAGOBSA-N 1 2 245.326 1.680 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)s1 ZINC001207058763 968589348 /nfs/dbraw/zinc/58/93/48/968589348.db2.gz LMDQJJUYQKITFX-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)s1 ZINC001207058763 968589353 /nfs/dbraw/zinc/58/93/53/968589353.db2.gz LMDQJJUYQKITFX-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO CCc1nccc(C[N@@H+]2CCC[C@H]2C(C)=O)n1 ZINC001207091312 968625111 /nfs/dbraw/zinc/62/51/11/968625111.db2.gz SBLURVMFSGHIGG-LBPRGKRZSA-N 1 2 233.315 1.592 20 0 BDADLO CCc1nccc(C[N@H+]2CCC[C@H]2C(C)=O)n1 ZINC001207091312 968625113 /nfs/dbraw/zinc/62/51/13/968625113.db2.gz SBLURVMFSGHIGG-LBPRGKRZSA-N 1 2 233.315 1.592 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001207140888 968651567 /nfs/dbraw/zinc/65/15/67/968651567.db2.gz BQAQGQCNORTAPK-STQMWFEESA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001207140888 968651571 /nfs/dbraw/zinc/65/15/71/968651571.db2.gz BQAQGQCNORTAPK-STQMWFEESA-N 1 2 249.358 1.904 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000827849500 968716767 /nfs/dbraw/zinc/71/67/67/968716767.db2.gz RDIYZIADBBIIBX-UHFFFAOYSA-N 1 2 247.298 1.787 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@H]2CCC=CO2)n1 ZINC001207775404 968881167 /nfs/dbraw/zinc/88/11/67/968881167.db2.gz PZHCISBKQWIGAL-GFCCVEGCSA-N 1 2 221.304 1.545 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@H]2CCC=CO2)n1 ZINC001207775404 968881170 /nfs/dbraw/zinc/88/11/70/968881170.db2.gz PZHCISBKQWIGAL-GFCCVEGCSA-N 1 2 221.304 1.545 20 0 BDADLO CC(=O)NC1C[NH+](CCCc2ccc(C)o2)C1 ZINC001207947845 968943100 /nfs/dbraw/zinc/94/31/00/968943100.db2.gz LHOPUSHLKXDYTJ-UHFFFAOYSA-N 1 2 236.315 1.341 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252803412 968989601 /nfs/dbraw/zinc/98/96/01/968989601.db2.gz RJSAVLPGKAQYPI-NEPJUHHUSA-N 1 2 243.347 1.469 20 0 BDADLO COC[C@@H](O)CNc1ccccc1-n1cc[nH+]c1 ZINC001252809935 968997103 /nfs/dbraw/zinc/99/71/03/968997103.db2.gz UXNAFQMLLQQZLQ-NSHDSACASA-N 1 2 247.298 1.292 20 0 BDADLO C[N@H+](CCOCC1CC1)CN1C(=O)CC1(C)C ZINC001252821738 969016573 /nfs/dbraw/zinc/01/65/73/969016573.db2.gz FZGYRKIVHGYDRM-UHFFFAOYSA-N 1 2 240.347 1.313 20 0 BDADLO C[N@@H+](CCOCC1CC1)CN1C(=O)CC1(C)C ZINC001252821738 969016587 /nfs/dbraw/zinc/01/65/87/969016587.db2.gz FZGYRKIVHGYDRM-UHFFFAOYSA-N 1 2 240.347 1.313 20 0 BDADLO OC1(CNc2ccn3cc[nH+]c3c2)CCOCC1 ZINC001252957397 969052776 /nfs/dbraw/zinc/05/27/76/969052776.db2.gz LICVANPRCZBBNU-UHFFFAOYSA-N 1 2 247.298 1.288 20 0 BDADLO Cc1cn2cc(-c3cnc(N)nc3C)ccc2[nH+]1 ZINC001241647133 969078560 /nfs/dbraw/zinc/07/85/60/969078560.db2.gz QXXDAKDZOHHVNV-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO C[C@@](O)(CNc1cc[nH+]nc1)c1ccccc1 ZINC001253090582 969081151 /nfs/dbraw/zinc/08/11/51/969081151.db2.gz IPQBDAFQUBUCAI-CYBMUJFWSA-N 1 2 229.283 1.796 20 0 BDADLO CCS(=O)(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001253261787 969123200 /nfs/dbraw/zinc/12/32/00/969123200.db2.gz YSFOQJDDEUAWGR-UHFFFAOYSA-N 1 2 239.300 1.404 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001253506673 969194949 /nfs/dbraw/zinc/19/49/49/969194949.db2.gz ASVCNHMFHIEPMU-QWRGUYRKSA-N 1 2 223.320 1.995 20 0 BDADLO COc1nc(-c2c[nH+]c(N)cc2C)nc(C)c1F ZINC001242072186 969196849 /nfs/dbraw/zinc/19/68/49/969196849.db2.gz DXZOGCQSTMJRQY-UHFFFAOYSA-N 1 2 248.261 1.885 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(C2=CCOCC2)cc1 ZINC001242077050 969200677 /nfs/dbraw/zinc/20/06/77/969200677.db2.gz LMCOEJJYCBWXPK-CYBMUJFWSA-N 1 2 247.294 1.663 20 0 BDADLO COC(=O)[C@H](C)C[NH+]1CC(Oc2ccccc2)C1 ZINC001208719160 969204025 /nfs/dbraw/zinc/20/40/25/969204025.db2.gz PTFHRZSRWWQENV-LLVKDONJSA-N 1 2 249.310 1.559 20 0 BDADLO CCCCC[C@H](O)C[N@@H+]1CCN(CC)C(=O)C1 ZINC001253535825 969204144 /nfs/dbraw/zinc/20/41/44/969204144.db2.gz NYRVKJLVMKISAD-LBPRGKRZSA-N 1 2 242.363 1.092 20 0 BDADLO CCCCC[C@H](O)C[N@H+]1CCN(CC)C(=O)C1 ZINC001253535825 969204152 /nfs/dbraw/zinc/20/41/52/969204152.db2.gz NYRVKJLVMKISAD-LBPRGKRZSA-N 1 2 242.363 1.092 20 0 BDADLO CCCCC[C@H](O)C[NH+]1CC(OC(C)=O)C1 ZINC001253532326 969204188 /nfs/dbraw/zinc/20/41/88/969204188.db2.gz IYMPTLODDGMYOW-NSHDSACASA-N 1 2 229.320 1.175 20 0 BDADLO CCCCC[C@H](O)CN1CC[N@H+](C)[C@H](C)C1 ZINC001253537583 969211206 /nfs/dbraw/zinc/21/12/06/969211206.db2.gz ZRUHVBGATARNTA-OLZOCXBDSA-N 1 2 228.380 1.564 20 0 BDADLO CCCCC[C@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC001253537583 969211211 /nfs/dbraw/zinc/21/12/11/969211211.db2.gz ZRUHVBGATARNTA-OLZOCXBDSA-N 1 2 228.380 1.564 20 0 BDADLO CN1CC2(C1)CCC[N@@H+](Cc1ccns1)C2 ZINC001276592320 969249984 /nfs/dbraw/zinc/24/99/84/969249984.db2.gz ZDTPDEKEJLXMKA-UHFFFAOYSA-N 1 2 237.372 1.671 20 0 BDADLO NC(=O)CCNc1ccc(-n2cccc2)c[nH+]1 ZINC001168952663 969291149 /nfs/dbraw/zinc/29/11/49/969291149.db2.gz MEMVPKSEPZYYHP-UHFFFAOYSA-N 1 2 230.271 1.160 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2C)[nH]1 ZINC001168982931 969301815 /nfs/dbraw/zinc/30/18/15/969301815.db2.gz UNRMXFDOMBHREL-SFYZADRCSA-N 1 2 248.334 1.567 20 0 BDADLO Cn1ccc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169003745 969326661 /nfs/dbraw/zinc/32/66/61/969326661.db2.gz CQLZXSQUOSSPEE-UHFFFAOYSA-N 1 2 241.298 1.722 20 0 BDADLO COCCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001209052585 969337598 /nfs/dbraw/zinc/33/75/98/969337598.db2.gz ZCHBDLFTZZQPBI-NSHDSACASA-N 1 2 239.319 1.942 20 0 BDADLO COCCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001209052585 969337602 /nfs/dbraw/zinc/33/76/02/969337602.db2.gz ZCHBDLFTZZQPBI-NSHDSACASA-N 1 2 239.319 1.942 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC001253740849 969358464 /nfs/dbraw/zinc/35/84/64/969358464.db2.gz KVRJLZDFWDSDAF-UWVGGRQHSA-N 1 2 231.336 1.323 20 0 BDADLO c1ccn(-c2ccc[nH+]c2NCC2OCCO2)c1 ZINC001169062058 969373741 /nfs/dbraw/zinc/37/37/41/969373741.db2.gz BNOXVRIHDAQMNY-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001253756842 969374087 /nfs/dbraw/zinc/37/40/87/969374087.db2.gz KCUYLLBCLJJRPK-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001253756842 969374093 /nfs/dbraw/zinc/37/40/93/969374093.db2.gz KCUYLLBCLJJRPK-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO COc1c[nH+]c(NCC2OCCO2)c2[nH]ccc21 ZINC001169063365 969375636 /nfs/dbraw/zinc/37/56/36/969375636.db2.gz YSFDTGPRNYNIKE-UHFFFAOYSA-N 1 2 249.270 1.356 20 0 BDADLO C[C@@H]1CN(CC2COC(C)(C)OC2)CC[N@@H+]1C ZINC001209199968 969386603 /nfs/dbraw/zinc/38/66/03/969386603.db2.gz XPGMQBSLEMZLHT-LLVKDONJSA-N 1 2 242.363 1.021 20 0 BDADLO C[C@@H]1CN(CC2COC(C)(C)OC2)CC[N@H+]1C ZINC001209199968 969386610 /nfs/dbraw/zinc/38/66/10/969386610.db2.gz XPGMQBSLEMZLHT-LLVKDONJSA-N 1 2 242.363 1.021 20 0 BDADLO c1ccc(OCC[N@@H+]2CCC23COC3)cc1 ZINC001209299111 969430374 /nfs/dbraw/zinc/43/03/74/969430374.db2.gz XFABSKQNACJDEX-UHFFFAOYSA-N 1 2 219.284 1.540 20 0 BDADLO c1ccc(OCC[N@H+]2CCC23COC3)cc1 ZINC001209299111 969430380 /nfs/dbraw/zinc/43/03/80/969430380.db2.gz XFABSKQNACJDEX-UHFFFAOYSA-N 1 2 219.284 1.540 20 0 BDADLO CCN(Cc1ccc(C)[nH]1)C1C[NH+](C)C1 ZINC001209576453 969559968 /nfs/dbraw/zinc/55/99/68/969559968.db2.gz UZFMAUFFZDUEJF-UHFFFAOYSA-N 1 2 207.321 1.459 20 0 BDADLO O=S1(=O)CC[C@H]([NH+]2Cc3ccccc3C2)C1 ZINC001254328846 969562816 /nfs/dbraw/zinc/56/28/16/969562816.db2.gz WWYONPBKRYOCPD-LBPRGKRZSA-N 1 2 237.324 1.189 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cnccn1 ZINC001209786572 969623261 /nfs/dbraw/zinc/62/32/61/969623261.db2.gz CJMUAHJZHOYUBC-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cnccn1 ZINC001209786572 969623265 /nfs/dbraw/zinc/62/32/65/969623265.db2.gz CJMUAHJZHOYUBC-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO Cn1cc(Nc2ccc3[nH]c[nH+]c3c2)nn1 ZINC001209844978 969657565 /nfs/dbraw/zinc/65/75/65/969657565.db2.gz SOWNVUJZXWHEPC-UHFFFAOYSA-N 1 2 214.232 1.435 20 0 BDADLO CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001169462381 969664487 /nfs/dbraw/zinc/66/44/87/969664487.db2.gz FJWQXJDQGFXYOZ-HBNTYKKESA-N 1 2 248.317 1.625 20 0 BDADLO C[C@H](OCC[NH+]1CCOCC1)c1cccnc1 ZINC001210191879 969825923 /nfs/dbraw/zinc/82/59/23/969825923.db2.gz JTSXFADJDOKSGX-LBPRGKRZSA-N 1 2 236.315 1.491 20 0 BDADLO C(C[NH+]1CCOCC1)O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001210209289 969832939 /nfs/dbraw/zinc/83/29/39/969832939.db2.gz ZTQRADKJPLJIRZ-YNEHKIRRSA-N 1 2 225.332 1.524 20 0 BDADLO Cc1[nH+]cc(Nc2nonc2C2CC2)cc1N ZINC001210289145 969857461 /nfs/dbraw/zinc/85/74/61/969857461.db2.gz WQDDNGGHKMVYIJ-UHFFFAOYSA-N 1 2 231.259 1.976 20 0 BDADLO Cc1nc(NC[C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001108640362 969893501 /nfs/dbraw/zinc/89/35/01/969893501.db2.gz VBZRWKBWEBTBIV-WCABBAIRSA-N 1 2 248.330 1.358 20 0 BDADLO COc1cc(C)c[nH+]c1NC1CC(=O)C1 ZINC001156617049 969944040 /nfs/dbraw/zinc/94/40/40/969944040.db2.gz YJLNUCSNRGIDRP-UHFFFAOYSA-N 1 2 206.245 1.542 20 0 BDADLO CNC(=O)[C@H](C)Nc1c(C)cc[nH+]c1C ZINC001169986822 969945408 /nfs/dbraw/zinc/94/54/08/969945408.db2.gz WZZRZYDSJCOISA-VIFPVBQESA-N 1 2 207.277 1.245 20 0 BDADLO Cn1c[nH+]c(Cc2nnc(C3CCC3)o2)c1 ZINC001255182427 970000065 /nfs/dbraw/zinc/00/00/65/970000065.db2.gz LRNWCQAJSGWTQR-UHFFFAOYSA-N 1 2 218.260 1.661 20 0 BDADLO CCCN(C)c1cc(-n2cncn2)nc(C)[nH+]1 ZINC001156881614 970018749 /nfs/dbraw/zinc/01/87/49/970018749.db2.gz FOKIBVJTTSAWCI-UHFFFAOYSA-N 1 2 232.291 1.212 20 0 BDADLO CCOC(=O)C=Cc1ccc(NC=[NH2+])nc1 ZINC001157077832 970073790 /nfs/dbraw/zinc/07/37/90/970073790.db2.gz JIUHIGBFQLHBMW-GQCTYLIASA-N 1 2 219.244 1.677 20 0 BDADLO Cc1cccc(C2([NH2+][C@H]3CCN(C)C3)COC2)c1 ZINC001255415205 970136035 /nfs/dbraw/zinc/13/60/35/970136035.db2.gz FGLXZYRXXPRCTK-AWEZNQCLSA-N 1 2 246.354 1.514 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cncs1)c1cn(C)nn1 ZINC000720581844 970158144 /nfs/dbraw/zinc/15/81/44/970158144.db2.gz FJPSORNJCINDRX-YUMQZZPRSA-N 1 2 237.332 1.683 20 0 BDADLO COC(=O)c1cc(-c2c[nH+]cn2C)cnc1OC ZINC001243069032 970264158 /nfs/dbraw/zinc/26/41/58/970264158.db2.gz NCBNRTRAHIJNDB-UHFFFAOYSA-N 1 2 247.254 1.277 20 0 BDADLO COC(=O)Cc1ccc(-c2c[nH+]cn2C)cc1F ZINC001243071694 970281601 /nfs/dbraw/zinc/28/16/01/970281601.db2.gz YCJVBEKCPZJAEM-UHFFFAOYSA-N 1 2 248.257 1.942 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C)C1)[C@@H](C)O ZINC001170104304 970301451 /nfs/dbraw/zinc/30/14/51/970301451.db2.gz LMELXJNDLCMSPR-VLEAKVRGSA-N 1 2 229.320 1.077 20 0 BDADLO C[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCOC2)o1 ZINC001255540080 970310779 /nfs/dbraw/zinc/31/07/79/970310779.db2.gz JZALRBYXNRKCAK-UWVGGRQHSA-N 1 2 237.303 1.730 20 0 BDADLO C[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCOC2)o1 ZINC001255540080 970310785 /nfs/dbraw/zinc/31/07/85/970310785.db2.gz JZALRBYXNRKCAK-UWVGGRQHSA-N 1 2 237.303 1.730 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)COC)C(C)C ZINC001255558262 970340617 /nfs/dbraw/zinc/34/06/17/970340617.db2.gz HTGOJNWMOAJCHN-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO COC[C@H](C)[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001255576684 970377237 /nfs/dbraw/zinc/37/72/37/970377237.db2.gz KTUZBGLKYBQYGL-JTQLQIEISA-N 1 2 239.290 1.924 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001255646369 970424890 /nfs/dbraw/zinc/42/48/90/970424890.db2.gz NQDRJDDTZKZFIG-DSYKOEDSSA-N 1 2 215.190 1.342 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001255646369 970424896 /nfs/dbraw/zinc/42/48/96/970424896.db2.gz NQDRJDDTZKZFIG-DSYKOEDSSA-N 1 2 215.190 1.342 20 0 BDADLO c1cn(CCc2nnc(C3CCOCC3)o2)c[nH+]1 ZINC001255665118 970442406 /nfs/dbraw/zinc/44/24/06/970442406.db2.gz QWFPYRGGUYYWDT-UHFFFAOYSA-N 1 2 248.286 1.403 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170257422 970640367 /nfs/dbraw/zinc/64/03/67/970640367.db2.gz AOMWEUGKSBWMTF-LLVKDONJSA-N 1 2 245.326 1.595 20 0 BDADLO Cc1ccc(-c2noc([C@]3([NH3+])CCOC3)n2)nc1 ZINC000401186340 970663332 /nfs/dbraw/zinc/66/33/32/970663332.db2.gz MBYCJAUPLKVKRB-LBPRGKRZSA-N 1 2 246.270 1.014 20 0 BDADLO Cc1nn(C)cc1[C@H](C)OCc1c[nH+]cn1C ZINC001222588360 972587515 /nfs/dbraw/zinc/58/75/15/972587515.db2.gz XXVCCVCTJCGUIY-JTQLQIEISA-N 1 2 234.303 1.740 20 0 BDADLO C=CC(=O)OC[C@@H](C)OCc1c[nH+]cn1C ZINC001222595086 972593518 /nfs/dbraw/zinc/59/35/18/972593518.db2.gz NVZVHANFXNKMQM-SECBINFHSA-N 1 2 224.260 1.054 20 0 BDADLO CCC(=O)[C@H](CC)OCc1c[nH+]cn1C ZINC001222601151 972597966 /nfs/dbraw/zinc/59/79/66/972597966.db2.gz YLFFXUSYKJWQIK-NSHDSACASA-N 1 2 210.277 1.694 20 0 BDADLO C[N@H+](Cc1ccc2cc[nH]c2n1)C1COC1 ZINC001144179884 972653839 /nfs/dbraw/zinc/65/38/39/972653839.db2.gz XOWIFGBLHUMQNC-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1ccc2cc[nH]c2n1)C1COC1 ZINC001144179884 972653843 /nfs/dbraw/zinc/65/38/43/972653843.db2.gz XOWIFGBLHUMQNC-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC001144168773 972664983 /nfs/dbraw/zinc/66/49/83/972664983.db2.gz KFJCVMUAFIEXRX-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC001144168773 972664989 /nfs/dbraw/zinc/66/49/89/972664989.db2.gz KFJCVMUAFIEXRX-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001327719066 972712818 /nfs/dbraw/zinc/71/28/18/972712818.db2.gz BGNGIKUXLUHOEV-NEPJUHHUSA-N 1 2 247.342 1.991 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@]23CCOC3)n(CC2CC2)n1 ZINC001327823601 972745904 /nfs/dbraw/zinc/74/59/04/972745904.db2.gz HXLIGQQLFFPSNL-AWEZNQCLSA-N 1 2 247.342 1.658 20 0 BDADLO c1cc(C[N@H+]2CC[C@@]23CCOC3)n(CC2CC2)n1 ZINC001327823601 972745919 /nfs/dbraw/zinc/74/59/19/972745919.db2.gz HXLIGQQLFFPSNL-AWEZNQCLSA-N 1 2 247.342 1.658 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1c(F)cc(O)cc1F ZINC001144544643 972858232 /nfs/dbraw/zinc/85/82/32/972858232.db2.gz BGQMVIZFXHKRGB-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1c(F)cc(O)cc1F ZINC001144544643 972858236 /nfs/dbraw/zinc/85/82/36/972858236.db2.gz BGQMVIZFXHKRGB-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@H]1C[C@H](O)CN1Cc1[nH+]cn2ccccc12 ZINC001144611844 972889788 /nfs/dbraw/zinc/88/97/88/972889788.db2.gz UUDRSUKGEBIISU-MNOVXSKESA-N 1 2 231.299 1.289 20 0 BDADLO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nnc[nH]1 ZINC001328410803 973031649 /nfs/dbraw/zinc/03/16/49/973031649.db2.gz WEMWZIRBYKJZRG-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[C@@]1(COC)CCC[N@H+]1Cc1nnc[nH]1 ZINC001328410803 973031659 /nfs/dbraw/zinc/03/16/59/973031659.db2.gz WEMWZIRBYKJZRG-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO Cc1cc(COC[C@@H]2COCCO2)cc(C)[nH+]1 ZINC001223418881 973051426 /nfs/dbraw/zinc/05/14/26/973051426.db2.gz CIFDIPUNLNWTNP-ZDUSSCGKSA-N 1 2 237.299 1.630 20 0 BDADLO Cc1cc(COC[C@@H]2COCO2)cc(C)[nH+]1 ZINC001223420145 973056242 /nfs/dbraw/zinc/05/62/42/973056242.db2.gz IHXDIVJDBYBNAZ-GFCCVEGCSA-N 1 2 223.272 1.588 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)C1CC=CC1 ZINC001146704341 973206898 /nfs/dbraw/zinc/20/68/98/973206898.db2.gz ZOSGBDHDPOIKQP-UHFFFAOYSA-N 1 2 232.283 1.543 20 0 BDADLO CN(C)c1ccccc1COC1C[NH+](C)C1 ZINC001223973220 973363622 /nfs/dbraw/zinc/36/36/22/973363622.db2.gz QMWKSAXGVRXJOJ-UHFFFAOYSA-N 1 2 220.316 1.583 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2ccn(C)c2)[nH+]1 ZINC001147013947 973389917 /nfs/dbraw/zinc/38/99/17/973389917.db2.gz PBXIKWXPASMYMU-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO CC(C)(C(=O)N1C[C@@H](F)[C@@H](F)C1)c1c[nH+]c[nH]1 ZINC001329009117 973430219 /nfs/dbraw/zinc/43/02/19/973430219.db2.gz OFJATJRWMQPRGX-OCAPTIKFSA-N 1 2 243.257 1.206 20 0 BDADLO CCN(C(=O)c1cccc(C)n1)C1C[NH+](C)C1 ZINC001147215190 973487600 /nfs/dbraw/zinc/48/76/00/973487600.db2.gz OABJDWVUZUNVPQ-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO Cc1[nH]c(CN2CC[C@@]23CCOC3)[nH+]c1C ZINC001329160495 973531084 /nfs/dbraw/zinc/53/10/84/973531084.db2.gz DHWSUEAGSPBGJG-LBPRGKRZSA-N 1 2 221.304 1.391 20 0 BDADLO COCC(C)(C)c1nnc(C[NH+](C)C)o1 ZINC001329270934 973624704 /nfs/dbraw/zinc/62/47/04/973624704.db2.gz RSJHVJQOFLHOBK-UHFFFAOYSA-N 1 2 213.281 1.055 20 0 BDADLO COc1ncc(-c2c[nH+]c(C)n2C)cn1 ZINC001329286867 973642327 /nfs/dbraw/zinc/64/23/27/973642327.db2.gz FATHBLXIQVQUGA-UHFFFAOYSA-N 1 2 204.233 1.194 20 0 BDADLO Oc1c(F)cc(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000128097051 973735673 /nfs/dbraw/zinc/73/56/73/973735673.db2.gz BKMPNJVOQNVSDM-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1csnn1 ZINC000128451675 973802606 /nfs/dbraw/zinc/80/26/06/973802606.db2.gz NNOXOIVMUFGVGW-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1csnn1 ZINC000128451675 973802611 /nfs/dbraw/zinc/80/26/11/973802611.db2.gz NNOXOIVMUFGVGW-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1csnn1 ZINC000128451415 973806761 /nfs/dbraw/zinc/80/67/61/973806761.db2.gz NNOXOIVMUFGVGW-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1csnn1 ZINC000128451415 973806764 /nfs/dbraw/zinc/80/67/64/973806764.db2.gz NNOXOIVMUFGVGW-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO CCC(=O)NCC1([NH2+]Cc2nocc2C)CC1 ZINC001276986646 973811741 /nfs/dbraw/zinc/81/17/41/973811741.db2.gz YMFKPVDEEJXDLX-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO C[C@H](C(=O)NCc1ccnc(F)c1)n1cc[nH+]c1 ZINC001329601108 973849719 /nfs/dbraw/zinc/84/97/19/973849719.db2.gz GZHGODLJQCRFPG-SECBINFHSA-N 1 2 248.261 1.295 20 0 BDADLO c1ccc(C[NH+]2CC(OCC3COC3)C2)cc1 ZINC001224743481 973904182 /nfs/dbraw/zinc/90/41/82/973904182.db2.gz KBWGMFVLQOXASH-UHFFFAOYSA-N 1 2 233.311 1.534 20 0 BDADLO CN(C)c1cc(NC2CCCC2)[nH+]cn1 ZINC000585415630 973910929 /nfs/dbraw/zinc/91/09/29/973910929.db2.gz ZZCGAJNFRGUWML-UHFFFAOYSA-N 1 2 206.293 1.897 20 0 BDADLO CN(C)c1cc(NC2CCCC2)nc[nH+]1 ZINC000585415630 973910942 /nfs/dbraw/zinc/91/09/42/973910942.db2.gz ZZCGAJNFRGUWML-UHFFFAOYSA-N 1 2 206.293 1.897 20 0 BDADLO Cc1nc(NCCNC(=O)c2ccoc2)cc[nH+]1 ZINC001093508671 974026345 /nfs/dbraw/zinc/02/63/45/974026345.db2.gz CTZJHBMBBFKZOI-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO Cc1nc(NCCNC(=O)[C@H](C)C2CC2)cc[nH+]1 ZINC001093538916 974028283 /nfs/dbraw/zinc/02/82/83/974028283.db2.gz HRQXXJLIELTRQS-SECBINFHSA-N 1 2 248.330 1.359 20 0 BDADLO CC/C(C)=C/C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093596904 974032389 /nfs/dbraw/zinc/03/23/89/974032389.db2.gz BFEXIAXTFLLIQU-MDZDMXLPSA-N 1 2 248.330 1.669 20 0 BDADLO Cc1nc(NCCCNC(=O)[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001094289988 974066087 /nfs/dbraw/zinc/06/60/87/974066087.db2.gz FPGVPBBMIKGGGS-MWLCHTKSSA-N 1 2 248.330 1.359 20 0 BDADLO Cc1nc(NCCCNC(=O)[C@H]2C[C@H]2C)cc[nH+]1 ZINC001094289987 974066997 /nfs/dbraw/zinc/06/69/97/974066997.db2.gz FPGVPBBMIKGGGS-KOLCDFICSA-N 1 2 248.330 1.359 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(C)o2)[nH]n1 ZINC001330097869 974107708 /nfs/dbraw/zinc/10/77/08/974107708.db2.gz HONDBLGAIJFCSI-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO N#CN1CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171811801 974203957 /nfs/dbraw/zinc/20/39/57/974203957.db2.gz ILLXTBMHRCZTQI-LBPRGKRZSA-N 1 2 245.301 1.392 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)c2ncnn21 ZINC001330301466 974221153 /nfs/dbraw/zinc/22/11/53/974221153.db2.gz LYLRGKCHJMGJGH-WCBMZHEXSA-N 1 2 247.277 1.608 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC/C=C/C1CC1 ZINC001330478916 974272821 /nfs/dbraw/zinc/27/28/21/974272821.db2.gz NGLDZNVXYCNDCH-OWOJBTEDSA-N 1 2 219.288 1.425 20 0 BDADLO CCN1CC[C@H]([N@@H+]2CCC(F)(F)C2)CC1=O ZINC001172043717 974318664 /nfs/dbraw/zinc/31/86/64/974318664.db2.gz QKIZDODVNPRCSI-VIFPVBQESA-N 1 2 232.274 1.338 20 0 BDADLO CCN1CC[C@H]([N@H+]2CCC(F)(F)C2)CC1=O ZINC001172043717 974318676 /nfs/dbraw/zinc/31/86/76/974318676.db2.gz QKIZDODVNPRCSI-VIFPVBQESA-N 1 2 232.274 1.338 20 0 BDADLO CCN1CC[C@H]([N@H+](C)CC(F)F)CC1=O ZINC001172049111 974331026 /nfs/dbraw/zinc/33/10/26/974331026.db2.gz KQMSUBOKLJPRMK-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)CC(F)F)CC1=O ZINC001172049111 974331034 /nfs/dbraw/zinc/33/10/34/974331034.db2.gz KQMSUBOKLJPRMK-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO Cc1ccc(O[C@H](C)C[NH+]2CCOCC2)cn1 ZINC001225277178 974340919 /nfs/dbraw/zinc/34/09/19/974340919.db2.gz LWRXURDQOLOOKG-GFCCVEGCSA-N 1 2 236.315 1.490 20 0 BDADLO c1cn2c(n1)[C@H](Oc1cc[nH+]cc1)CC2 ZINC001225290089 974360351 /nfs/dbraw/zinc/36/03/51/974360351.db2.gz TUWJPUCIHZZQMJ-SNVBAGLBSA-N 1 2 201.229 1.802 20 0 BDADLO O=C1CC[C@H]2C[C@H]([NH+]3C[C@@H](F)[C@H](F)C3)CCN12 ZINC001172161424 974423021 /nfs/dbraw/zinc/42/30/21/974423021.db2.gz HNHNPILCGUJODP-LMLFDSFASA-N 1 2 244.285 1.132 20 0 BDADLO Cc1nc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)O3)no1 ZINC001172221943 974458061 /nfs/dbraw/zinc/45/80/61/974458061.db2.gz QAWNCKLWANHTIB-FGWVZKOKSA-N 1 2 237.303 1.520 20 0 BDADLO Cc1nc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)O3)no1 ZINC001172221943 974458065 /nfs/dbraw/zinc/45/80/65/974458065.db2.gz QAWNCKLWANHTIB-FGWVZKOKSA-N 1 2 237.303 1.520 20 0 BDADLO CCCOC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223322 974461131 /nfs/dbraw/zinc/46/11/31/974461131.db2.gz ROLNKQZVPWBJRA-FGWVZKOKSA-N 1 2 227.304 1.239 20 0 BDADLO CC[NH+]1CC(Oc2cccc(C(=O)NC)c2)C1 ZINC001225418577 974479065 /nfs/dbraw/zinc/47/90/65/974479065.db2.gz HBLNOUOKJORMOS-UHFFFAOYSA-N 1 2 234.299 1.129 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)CO1 ZINC001172282186 974541490 /nfs/dbraw/zinc/54/14/90/974541490.db2.gz ARJGBFPEORYMDL-LPEHRKFASA-N 1 2 219.275 1.936 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2C[C@@H](F)C[C@H]2CF)CO1 ZINC001172282186 974541497 /nfs/dbraw/zinc/54/14/97/974541497.db2.gz ARJGBFPEORYMDL-LPEHRKFASA-N 1 2 219.275 1.936 20 0 BDADLO C[NH+]1CC(Oc2nc3ccccc3[nH]2)C1 ZINC001225577448 974562684 /nfs/dbraw/zinc/56/26/84/974562684.db2.gz WNRNVWIDIYTKCE-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001331279739 974668353 /nfs/dbraw/zinc/66/83/53/974668353.db2.gz IEFHHEYZFFCBNN-ONGXEEELSA-N 1 2 221.304 1.749 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001331279736 974668774 /nfs/dbraw/zinc/66/87/74/974668774.db2.gz IEFHHEYZFFCBNN-MWLCHTKSSA-N 1 2 221.304 1.749 20 0 BDADLO O=C(c1cocn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001331311088 974678618 /nfs/dbraw/zinc/67/86/18/974678618.db2.gz WQLTWQAYFJCFNQ-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO O=C(c1cocn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001331311088 974678624 /nfs/dbraw/zinc/67/86/24/974678624.db2.gz WQLTWQAYFJCFNQ-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO CCOC(=O)c1c(C)cccc1OC1C[NH+](C)C1 ZINC001225806004 974691178 /nfs/dbraw/zinc/69/11/78/974691178.db2.gz PKOAZVDACQNXSO-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO Cc1cc[nH+]c(N)c1CN(C)CC(F)F ZINC001331551699 974761866 /nfs/dbraw/zinc/76/18/66/974761866.db2.gz FMSUIJPBQBBNEI-UHFFFAOYSA-N 1 2 215.247 1.669 20 0 BDADLO COC(=O)/C=C/c1ccc(OC2C[NH+](C)C2)cc1 ZINC001226244562 974838028 /nfs/dbraw/zinc/83/80/28/974838028.db2.gz CCMPNHBTZWCENN-VMPITWQZSA-N 1 2 247.294 1.566 20 0 BDADLO COC(=O)c1ccc(C)c(OC2C[NH+](C)C2)c1 ZINC001226492315 974925271 /nfs/dbraw/zinc/92/52/71/974925271.db2.gz VKVKHJZQOAWZIP-UHFFFAOYSA-N 1 2 235.283 1.474 20 0 BDADLO Cc1[nH]c(CNC(=O)CC2CCC2)[nH+]c1C ZINC001332052143 974933705 /nfs/dbraw/zinc/93/37/05/974933705.db2.gz CBCGMPOAUYIOLG-UHFFFAOYSA-N 1 2 221.304 1.833 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc3nccn3n2)C1 ZINC001226560160 974954109 /nfs/dbraw/zinc/95/41/09/974954109.db2.gz BSBFRBMXOLWCHQ-UHFFFAOYSA-N 1 2 232.287 1.201 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)[nH]c(=S)n2)C1 ZINC001226802660 975093139 /nfs/dbraw/zinc/09/31/39/975093139.db2.gz YEYGRXVYUFVHSU-UHFFFAOYSA-N 1 2 225.317 1.157 20 0 BDADLO C[C@H](C(=O)NC1(C2CC2)CCC1)n1cc[nH+]c1 ZINC001332415715 975102460 /nfs/dbraw/zinc/10/24/60/975102460.db2.gz CDQSTIXGMJWZHG-SNVBAGLBSA-N 1 2 233.315 1.893 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C)cn2)ncn1 ZINC001332422578 975109756 /nfs/dbraw/zinc/10/97/56/975109756.db2.gz XKUFSRAXYZEKGV-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](CC)C1)[C@@H](C)O ZINC001173264384 975125029 /nfs/dbraw/zinc/12/50/29/975125029.db2.gz SDLJVTYTCVEXDR-DDHJBXDOSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1ccc2[nH]c(=O)cc(OC3C[NH+](C)C3)c2c1 ZINC001226852638 975125557 /nfs/dbraw/zinc/12/55/57/975125557.db2.gz SMUQQCPFDRIRET-UHFFFAOYSA-N 1 2 244.294 1.942 20 0 BDADLO CC[C@@H]1CC[C@@H]([NH2+][C@]2(C(=O)OC)CCOC2)C1 ZINC001173274337 975154582 /nfs/dbraw/zinc/15/45/82/975154582.db2.gz INGIZBVGXVRCKU-NQBHXWOUSA-N 1 2 241.331 1.487 20 0 BDADLO CO[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001332543345 975205998 /nfs/dbraw/zinc/20/59/98/975205998.db2.gz UECMQUJRHMOZQS-LBPRGKRZSA-N 1 2 248.326 1.868 20 0 BDADLO C[C@@H](CC(=O)Nc1ccc[n+]([O-])c1)n1cc[nH+]c1 ZINC001332695295 975257688 /nfs/dbraw/zinc/25/76/88/975257688.db2.gz WGLCOZCEFCDVNT-JTQLQIEISA-N 1 2 246.270 1.106 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC[C@H](C)CC1)[C@@H](C)O ZINC001332739821 975276412 /nfs/dbraw/zinc/27/64/12/975276412.db2.gz XGDPKFZDULWNMG-QCNOEVLYSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1cccc(O)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001227139519 975292818 /nfs/dbraw/zinc/29/28/18/975292818.db2.gz LUQNDRFNSKXUCL-NSHDSACASA-N 1 2 237.299 1.410 20 0 BDADLO Cc1cccc(O)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001227139519 975292827 /nfs/dbraw/zinc/29/28/27/975292827.db2.gz LUQNDRFNSKXUCL-NSHDSACASA-N 1 2 237.299 1.410 20 0 BDADLO Cc1cccc(O)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001227139518 975294195 /nfs/dbraw/zinc/29/41/95/975294195.db2.gz LUQNDRFNSKXUCL-LLVKDONJSA-N 1 2 237.299 1.410 20 0 BDADLO Cc1cccc(O)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001227139518 975294201 /nfs/dbraw/zinc/29/42/01/975294201.db2.gz LUQNDRFNSKXUCL-LLVKDONJSA-N 1 2 237.299 1.410 20 0 BDADLO CC[NH+]1CC(Oc2cccc(NC(N)=O)c2)C1 ZINC001227194096 975307031 /nfs/dbraw/zinc/30/70/31/975307031.db2.gz HGVXBSUAINBWCY-UHFFFAOYSA-N 1 2 235.287 1.260 20 0 BDADLO C[C@H](C(=O)N1CCO[C@H](C)CC1)n1cc[nH+]c1 ZINC001332926710 975326029 /nfs/dbraw/zinc/32/60/29/975326029.db2.gz VDGGBELWAJTPAG-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@@H]1COC(=O)C1 ZINC001227263383 975337441 /nfs/dbraw/zinc/33/74/41/975337441.db2.gz GCKMVEHYPCSYSB-VIFPVBQESA-N 1 2 207.229 1.393 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccccc2F)C1 ZINC001203345969 975369420 /nfs/dbraw/zinc/36/94/20/975369420.db2.gz GDKBSCAUDVENMN-ZYHUDNBSSA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccccc2F)C1 ZINC001203345969 975369423 /nfs/dbraw/zinc/36/94/23/975369423.db2.gz GDKBSCAUDVENMN-ZYHUDNBSSA-N 1 2 241.281 1.978 20 0 BDADLO CC[NH+]1CC(Oc2cccc(O)c2C)C1 ZINC001227429093 975397627 /nfs/dbraw/zinc/39/76/27/975397627.db2.gz VGZCPOSFKUDYEA-UHFFFAOYSA-N 1 2 207.273 1.784 20 0 BDADLO CC[C@H](CC(F)F)C(=O)NCc1c[nH+]cn1C ZINC001333104840 975424637 /nfs/dbraw/zinc/42/46/37/975424637.db2.gz YFFRIIWJDIHNFV-MRVPVSSYSA-N 1 2 245.273 1.718 20 0 BDADLO CCn1c[nH+]cc1CN[C@@H]1C[C@@H](C)n2ncnc21 ZINC001333308547 975637652 /nfs/dbraw/zinc/63/76/52/975637652.db2.gz WYQOCGGHPPSTIP-MWLCHTKSSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1nocc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001333314603 975649679 /nfs/dbraw/zinc/64/96/79/975649679.db2.gz ATGPHQZXOTWZIO-MRVPVSSYSA-N 1 2 220.232 1.379 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)no1 ZINC001333399781 975751856 /nfs/dbraw/zinc/75/18/56/975751856.db2.gz COZBYYHNFUBFBP-WPRPVWTQSA-N 1 2 239.319 1.844 20 0 BDADLO CC[NH+]1CC(Oc2nccc3cc[nH]c32)C1 ZINC001227896738 975776691 /nfs/dbraw/zinc/77/66/91/975776691.db2.gz GCIPJHBFLKGWOQ-UHFFFAOYSA-N 1 2 217.272 1.646 20 0 BDADLO O=C(C[C@H]1CC=CCC1)N1CCn2c[nH+]cc2C1 ZINC001333471314 975801546 /nfs/dbraw/zinc/80/15/46/975801546.db2.gz KOPJYTDBZVIWKY-LBPRGKRZSA-N 1 2 245.326 1.972 20 0 BDADLO C[NH+]1CC(Oc2ccc(C(N)=O)c(Cl)c2)C1 ZINC001227950776 975810961 /nfs/dbraw/zinc/81/09/61/975810961.db2.gz LDLUJYYFNJIRHH-UHFFFAOYSA-N 1 2 240.690 1.132 20 0 BDADLO O=C(NC1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171402618 975856683 /nfs/dbraw/zinc/85/66/83/975856683.db2.gz JFADUJNRKLNAJW-UHFFFAOYSA-N 1 2 234.303 1.392 20 0 BDADLO c1nonc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC001333588205 975872240 /nfs/dbraw/zinc/87/22/40/975872240.db2.gz STWLLDBVNZPVJO-LBPRGKRZSA-N 1 2 230.271 1.706 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCSCC1 ZINC001333615429 975892714 /nfs/dbraw/zinc/89/27/14/975892714.db2.gz FVBNUOYUTMMECY-UHFFFAOYSA-N 1 2 247.323 1.752 20 0 BDADLO O[C@H]1C[N@H+](Cc2nccn2C2CC2)CC12CC2 ZINC001333717505 976024885 /nfs/dbraw/zinc/02/48/85/976024885.db2.gz NDVFYGFGJUEQPO-NSHDSACASA-N 1 2 233.315 1.175 20 0 BDADLO O[C@H]1C[N@@H+](Cc2nccn2C2CC2)CC12CC2 ZINC001333717505 976024901 /nfs/dbraw/zinc/02/49/01/976024901.db2.gz NDVFYGFGJUEQPO-NSHDSACASA-N 1 2 233.315 1.175 20 0 BDADLO CCc1cc(OC2C[NH+](CC)C2)ncn1 ZINC001228293323 976073182 /nfs/dbraw/zinc/07/31/82/976073182.db2.gz USXIJQKMZVQSTA-UHFFFAOYSA-N 1 2 207.277 1.122 20 0 BDADLO O=c1sccn1C[N@H+]1CC[C@@H](CF)C1 ZINC001333812509 976101941 /nfs/dbraw/zinc/10/19/41/976101941.db2.gz JKSDQXVUWDOSAD-QMMMGPOBSA-N 1 2 216.281 1.159 20 0 BDADLO O=c1sccn1C[N@@H+]1CC[C@@H](CF)C1 ZINC001333812509 976101950 /nfs/dbraw/zinc/10/19/50/976101950.db2.gz JKSDQXVUWDOSAD-QMMMGPOBSA-N 1 2 216.281 1.159 20 0 BDADLO Cn1cnc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC001333826421 976108707 /nfs/dbraw/zinc/10/87/07/976108707.db2.gz MRBISCLCVRPFNJ-UHFFFAOYSA-N 1 2 247.346 1.731 20 0 BDADLO Cc1[nH]c2ccc(OC3CC(=O)C3)cc2[nH+]1 ZINC001228328833 976118149 /nfs/dbraw/zinc/11/81/49/976118149.db2.gz JHWVNPOHVJNNDZ-UHFFFAOYSA-N 1 2 216.240 1.982 20 0 BDADLO Cc1[nH]c2ccc(O[C@@H]3CCCOC3=O)cc2[nH+]1 ZINC001228326077 976121257 /nfs/dbraw/zinc/12/12/57/976121257.db2.gz DURIKLCBGPVXNY-GFCCVEGCSA-N 1 2 246.266 1.956 20 0 BDADLO Cc1[nH]c2ccc(OC[C@@H]3COCCO3)cc2[nH+]1 ZINC001228326333 976121605 /nfs/dbraw/zinc/12/16/05/976121605.db2.gz HBJMWUQNVQCHKE-NSHDSACASA-N 1 2 248.282 1.666 20 0 BDADLO COc1ncc(Nc2cc(C)[nH+]c(OC)c2)cn1 ZINC001174034429 976235474 /nfs/dbraw/zinc/23/54/74/976235474.db2.gz UMJROACVORCYKD-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO Cc1nocc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC001334075961 976274722 /nfs/dbraw/zinc/27/47/22/976274722.db2.gz IQVJJGPBGTZSQF-UHFFFAOYSA-N 1 2 247.258 1.227 20 0 BDADLO C[C@H](Nc1nccs1)[C@@H]1C[N@H+](C)CCO1 ZINC001334171682 976349403 /nfs/dbraw/zinc/34/94/03/976349403.db2.gz MFFGVBPFXYNOQD-IUCAKERBSA-N 1 2 227.333 1.274 20 0 BDADLO C[C@H](Nc1nccs1)[C@@H]1C[N@@H+](C)CCO1 ZINC001334171682 976349414 /nfs/dbraw/zinc/34/94/14/976349414.db2.gz MFFGVBPFXYNOQD-IUCAKERBSA-N 1 2 227.333 1.274 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCCOCC2)o1 ZINC001334281295 976422778 /nfs/dbraw/zinc/42/27/78/976422778.db2.gz VINSHPDGFZBVNP-QMMMGPOBSA-N 1 2 211.265 1.161 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCCOCC2)o1 ZINC001334281295 976422785 /nfs/dbraw/zinc/42/27/85/976422785.db2.gz VINSHPDGFZBVNP-QMMMGPOBSA-N 1 2 211.265 1.161 20 0 BDADLO c1n[nH]cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001174293492 976468994 /nfs/dbraw/zinc/46/89/94/976468994.db2.gz DIMYSBXXCIYBDI-UHFFFAOYSA-N 1 2 245.286 1.385 20 0 BDADLO CCc1sc([C@@H]2COCC[NH2+]2)nc1C ZINC000259549579 976492471 /nfs/dbraw/zinc/49/24/71/976492471.db2.gz UMVNNMIWEGRKAB-QMMMGPOBSA-N 1 2 212.318 1.675 20 0 BDADLO CC[NH+]1CC(Oc2cccn3cc(C)nc23)C1 ZINC001228839784 976516466 /nfs/dbraw/zinc/51/64/66/976516466.db2.gz YTVVRKLXPXOORK-UHFFFAOYSA-N 1 2 231.299 1.726 20 0 BDADLO Cc1cn2cccc(OC3C[NH+](C)C3)c2n1 ZINC001228839774 976517068 /nfs/dbraw/zinc/51/70/68/976517068.db2.gz YOHRJDCCFVXJDJ-UHFFFAOYSA-N 1 2 217.272 1.336 20 0 BDADLO Cn1cc(Nc2cccn3cc[nH+]c23)cn1 ZINC001174328973 976529227 /nfs/dbraw/zinc/52/92/27/976529227.db2.gz WCGVRVYJOZZEHX-UHFFFAOYSA-N 1 2 213.244 1.811 20 0 BDADLO C[NH+]1CC(Oc2cnc3ccsc3c2)C1 ZINC001228895040 976566503 /nfs/dbraw/zinc/56/65/03/976566503.db2.gz KATZEBLJVWKNAF-UHFFFAOYSA-N 1 2 220.297 1.989 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3c(c2)OCC3)C1 ZINC001228996707 976626456 /nfs/dbraw/zinc/62/64/56/976626456.db2.gz IMKDWBUXIIHXLD-ZDUSSCGKSA-N 1 2 249.310 1.331 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3c(c2)OCC3)C1 ZINC001228996707 976626462 /nfs/dbraw/zinc/62/64/62/976626462.db2.gz IMKDWBUXIIHXLD-ZDUSSCGKSA-N 1 2 249.310 1.331 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3cnccc32)C1 ZINC001228996266 976626872 /nfs/dbraw/zinc/62/68/72/976626872.db2.gz OBCGWCKZQMIFIS-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO C[NH+]1CC(Oc2n[nH]c3cc(F)ccc32)C1 ZINC001229169102 976784764 /nfs/dbraw/zinc/78/47/64/976784764.db2.gz HSMFJZVNYNSLFN-UHFFFAOYSA-N 1 2 221.235 1.395 20 0 BDADLO CC(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001334932635 976794214 /nfs/dbraw/zinc/79/42/14/976794214.db2.gz BUFUNSRNYNWYQX-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)[C@H]1CCOC1 ZINC001334942257 976802869 /nfs/dbraw/zinc/80/28/69/976802869.db2.gz UTPIRCVBYZAJOV-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)[C@H]1CCOC1 ZINC001334942257 976802872 /nfs/dbraw/zinc/80/28/72/976802872.db2.gz UTPIRCVBYZAJOV-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO CC[NH+]1CC(Oc2c3c(cnc2C)COC3)C1 ZINC001229788801 976983099 /nfs/dbraw/zinc/98/30/99/976983099.db2.gz ANTZNEIFSPMPQN-UHFFFAOYSA-N 1 2 234.299 1.503 20 0 BDADLO COc1nc(C)cc(OC2C[NH+](C(C)C)C2)n1 ZINC001229825423 976997235 /nfs/dbraw/zinc/99/72/35/976997235.db2.gz JOCSHCVAUYKYAW-UHFFFAOYSA-N 1 2 237.303 1.265 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccn(C)n2)nc1 ZINC001335480992 977092182 /nfs/dbraw/zinc/09/21/82/977092182.db2.gz FRQYHXVSLYZLMP-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ncnn2C)c(C)n1 ZINC001335491511 977096100 /nfs/dbraw/zinc/09/61/00/977096100.db2.gz XDNSDGPXJLJOTP-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2ncco2)C1 ZINC000259989874 977129252 /nfs/dbraw/zinc/12/92/52/977129252.db2.gz LEDMFGLFHKONNO-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ncco2)C1 ZINC000259989874 977129267 /nfs/dbraw/zinc/12/92/67/977129267.db2.gz LEDMFGLFHKONNO-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CC(=O)N1CCc2c1cccc2OC1C[NH+](C)C1 ZINC001230482742 977223977 /nfs/dbraw/zinc/22/39/77/977223977.db2.gz XVDFTYFUOZUORS-UHFFFAOYSA-N 1 2 246.310 1.288 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccns2)[nH+]c1C ZINC001335811097 977299795 /nfs/dbraw/zinc/29/97/95/977299795.db2.gz PFSYJQUUDYLYNK-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1nccn1C ZINC001336018821 977432244 /nfs/dbraw/zinc/43/22/44/977432244.db2.gz QQWPGJKJZGABKC-UWVGGRQHSA-N 1 2 247.302 1.055 20 0 BDADLO Cc1ccnc2[nH]c(OC3C[NH+](C(C)C)C3)nc21 ZINC001231057310 977446876 /nfs/dbraw/zinc/44/68/76/977446876.db2.gz UGTWLDSIRSJFDA-UHFFFAOYSA-N 1 2 246.314 1.738 20 0 BDADLO CC[C@H](O)C(=O)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080467 977473547 /nfs/dbraw/zinc/47/35/47/977473547.db2.gz DGCIVKHGGGXOLL-NSHDSACASA-N 1 2 246.266 1.753 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001231348207 977576296 /nfs/dbraw/zinc/57/62/96/977576296.db2.gz BGZUSKRKERXUFE-UHFFFAOYSA-N 1 2 243.209 1.701 20 0 BDADLO COc1nccnc1N=C1CCC[N@H+](C)C1 ZINC001175575495 977582201 /nfs/dbraw/zinc/58/22/01/977582201.db2.gz XXZPBFVXIDOJQN-UHFFFAOYSA-N 1 2 220.276 1.117 20 0 BDADLO COc1nccnc1N=C1CCC[N@@H+](C)C1 ZINC001175575495 977582208 /nfs/dbraw/zinc/58/22/08/977582208.db2.gz XXZPBFVXIDOJQN-UHFFFAOYSA-N 1 2 220.276 1.117 20 0 BDADLO COC(C)(C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC001336245158 977592607 /nfs/dbraw/zinc/59/26/07/977592607.db2.gz JQQJDFCQSJMLQW-SSDOTTSWSA-N 1 2 213.281 1.574 20 0 BDADLO C[C@@H]1CCC(F)(F)CN1C(=O)Cn1cc[nH+]c1 ZINC001336261053 977603889 /nfs/dbraw/zinc/60/38/89/977603889.db2.gz IZMSVMTYAWUQLZ-SECBINFHSA-N 1 2 243.257 1.529 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)ncc2[nH]1 ZINC001231671491 977681580 /nfs/dbraw/zinc/68/15/80/977681580.db2.gz QJYLZEZRHXJRFJ-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)ncc2[nH]1 ZINC001231671491 977681588 /nfs/dbraw/zinc/68/15/88/977681588.db2.gz QJYLZEZRHXJRFJ-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001231740581 977723271 /nfs/dbraw/zinc/72/32/71/977723271.db2.gz LLDOHONDWOFSNO-LLVKDONJSA-N 1 2 240.278 1.186 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC001231740581 977723279 /nfs/dbraw/zinc/72/32/79/977723279.db2.gz LLDOHONDWOFSNO-LLVKDONJSA-N 1 2 240.278 1.186 20 0 BDADLO Cc1cc(F)cc(N(C)Cc2ncc[nH]2)[nH+]1 ZINC001336513370 977734632 /nfs/dbraw/zinc/73/46/32/977734632.db2.gz JLMCRNFSYFBFON-UHFFFAOYSA-N 1 2 220.251 1.889 20 0 BDADLO CC(C)Oc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231763957 977735752 /nfs/dbraw/zinc/73/57/52/977735752.db2.gz NPGLKQSIIXGIKU-QWHCGFSZSA-N 1 2 248.326 1.842 20 0 BDADLO CC(C)Oc1ncccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231763957 977735767 /nfs/dbraw/zinc/73/57/67/977735767.db2.gz NPGLKQSIIXGIKU-QWHCGFSZSA-N 1 2 248.326 1.842 20 0 BDADLO Cc1cc(F)cc(N(C)CC(C)(C)O)[nH+]1 ZINC001336513045 977736539 /nfs/dbraw/zinc/73/65/39/977736539.db2.gz DYSKYYGKRICIFI-UHFFFAOYSA-N 1 2 212.268 1.736 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001336572896 977785115 /nfs/dbraw/zinc/78/51/15/977785115.db2.gz ZYCSZOVOUYYGSG-YUMQZZPRSA-N 1 2 211.240 1.192 20 0 BDADLO Cc1cc(F)cc(N(C)[C@@H](C)C[S@@](C)=O)[nH+]1 ZINC001336576111 977793563 /nfs/dbraw/zinc/79/35/63/977793563.db2.gz DVPVLHHSUZTYGE-XXFAHNHDSA-N 1 2 244.335 1.732 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001277586306 977797032 /nfs/dbraw/zinc/79/70/32/977797032.db2.gz OJYAKZMEQKSKAN-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO COc1ccnc(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001231967078 977813509 /nfs/dbraw/zinc/81/35/09/977813509.db2.gz RMUKHKFYXDOXFH-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO c1[nH]nc2c1cccc2C[NH+]1CC2(CCO2)C1 ZINC001231974222 977818563 /nfs/dbraw/zinc/81/85/63/977818563.db2.gz XPRZWWMDXGWGIB-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc(C)n1 ZINC001232000930 977833840 /nfs/dbraw/zinc/83/38/40/977833840.db2.gz FZXSCQDFPYTMGQ-BETUJISGSA-N 1 2 218.300 1.672 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc(C)n1 ZINC001232000930 977833850 /nfs/dbraw/zinc/83/38/50/977833850.db2.gz FZXSCQDFPYTMGQ-BETUJISGSA-N 1 2 218.300 1.672 20 0 BDADLO CCc1ccc(N2CC[C@@](O)(C(F)F)C2)[nH+]c1 ZINC001336653029 977834819 /nfs/dbraw/zinc/83/48/19/977834819.db2.gz PFGIGZKFKCZDOC-LBPRGKRZSA-N 1 2 242.269 1.850 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(C2CC2)n1 ZINC001232169001 977902700 /nfs/dbraw/zinc/90/27/00/977902700.db2.gz BZBNXFQFDXALRY-RYUDHWBXSA-N 1 2 233.315 1.271 20 0 BDADLO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(C2CC2)n1 ZINC001232169001 977902711 /nfs/dbraw/zinc/90/27/11/977902711.db2.gz BZBNXFQFDXALRY-RYUDHWBXSA-N 1 2 233.315 1.271 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ncsc1C ZINC001232208503 977938847 /nfs/dbraw/zinc/93/88/47/977938847.db2.gz XLGAPYJYXKRHES-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ncsc1C ZINC001232208503 977938863 /nfs/dbraw/zinc/93/88/63/977938863.db2.gz XLGAPYJYXKRHES-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO COc1cc[nH+]cc1Nc1ccnn1C1COC1 ZINC001176118433 977946649 /nfs/dbraw/zinc/94/66/49/977946649.db2.gz KXIAITIPMOBFMC-UHFFFAOYSA-N 1 2 246.270 1.602 20 0 BDADLO COc1cc[nH+]cc1Nc1cncc(CO)c1 ZINC001176118603 977950031 /nfs/dbraw/zinc/95/00/31/977950031.db2.gz JRVYNLHUZFLLHS-UHFFFAOYSA-N 1 2 231.255 1.721 20 0 BDADLO COc1cc[nH+]cc1Nc1ccncn1 ZINC001176119219 977954184 /nfs/dbraw/zinc/95/41/84/977954184.db2.gz OQXXOUYQVAIYQV-UHFFFAOYSA-N 1 2 202.217 1.624 20 0 BDADLO Cc1cc(Nc2ccc(=O)[nH]c2)nc(C)[nH+]1 ZINC001176125110 977957756 /nfs/dbraw/zinc/95/77/56/977957756.db2.gz VPESNKFRZVUCHD-UHFFFAOYSA-N 1 2 216.244 1.938 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cnsc1)C2 ZINC001232229878 977963555 /nfs/dbraw/zinc/96/35/55/977963555.db2.gz YMEPGJOMGGIEJW-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO COCc1cccc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC001232252151 977983472 /nfs/dbraw/zinc/98/34/72/977983472.db2.gz OMIIDAJQXMTAIZ-JTQLQIEISA-N 1 2 224.279 1.772 20 0 BDADLO COCc1cccc(C[N@H+]2CC[C@H](F)C2)n1 ZINC001232252151 977983481 /nfs/dbraw/zinc/98/34/81/977983481.db2.gz OMIIDAJQXMTAIZ-JTQLQIEISA-N 1 2 224.279 1.772 20 0 BDADLO OCC1C[NH+](Cc2cc(Cl)cs2)C1 ZINC001232281406 977991879 /nfs/dbraw/zinc/99/18/79/977991879.db2.gz LMBZKFZNXNKTQA-UHFFFAOYSA-N 1 2 217.721 1.826 20 0 BDADLO CC(C)(C)[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001336865386 978009400 /nfs/dbraw/zinc/00/94/00/978009400.db2.gz WWPYWMJGEPGMFJ-SNVBAGLBSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCOC[C@H]1C ZINC001232337623 978011621 /nfs/dbraw/zinc/01/16/21/978011621.db2.gz AYCSZBBTLKHVSA-SECBINFHSA-N 1 2 221.304 1.193 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCOC[C@H]1C ZINC001232337623 978011627 /nfs/dbraw/zinc/01/16/27/978011627.db2.gz AYCSZBBTLKHVSA-SECBINFHSA-N 1 2 221.304 1.193 20 0 BDADLO COc1cc(C)c(C[N@H+](C)C2(C)COC2)cn1 ZINC001232353310 978030254 /nfs/dbraw/zinc/03/02/54/978030254.db2.gz KLMORRAPVCCERP-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO COc1cc(C)c(C[N@@H+](C)C2(C)COC2)cn1 ZINC001232353310 978030263 /nfs/dbraw/zinc/03/02/63/978030263.db2.gz KLMORRAPVCCERP-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccncc1 ZINC001232428995 978073120 /nfs/dbraw/zinc/07/31/20/978073120.db2.gz ZUFARPICMLSAMM-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccncc1 ZINC001232428995 978073128 /nfs/dbraw/zinc/07/31/28/978073128.db2.gz ZUFARPICMLSAMM-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccno2)c[nH+]1 ZINC001232465306 978077938 /nfs/dbraw/zinc/07/79/38/978077938.db2.gz IHBQIURRQPAFSC-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2ccno2)[nH+]1 ZINC001232465306 978077945 /nfs/dbraw/zinc/07/79/45/978077945.db2.gz IHBQIURRQPAFSC-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)C[C@H](F)CS3)c[nH+]1 ZINC001232465096 978107887 /nfs/dbraw/zinc/10/78/87/978107887.db2.gz SZGBJDXWHDBCGP-VIFPVBQESA-N 1 2 241.335 1.748 20 0 BDADLO Cc1[nH]cc(CN2CC3(C2)C[C@H](F)CS3)[nH+]1 ZINC001232465096 978107890 /nfs/dbraw/zinc/10/78/90/978107890.db2.gz SZGBJDXWHDBCGP-VIFPVBQESA-N 1 2 241.335 1.748 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1cnc(C)[nH]1 ZINC001232463778 978110869 /nfs/dbraw/zinc/11/08/69/978110869.db2.gz NENDJWIUCHHYCK-UHFFFAOYSA-N 1 2 233.319 1.437 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1cnc(C)[nH]1 ZINC001232463778 978110873 /nfs/dbraw/zinc/11/08/73/978110873.db2.gz NENDJWIUCHHYCK-UHFFFAOYSA-N 1 2 233.319 1.437 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1c[nH]c(C)n1 ZINC001232463778 978110879 /nfs/dbraw/zinc/11/08/79/978110879.db2.gz NENDJWIUCHHYCK-UHFFFAOYSA-N 1 2 233.319 1.437 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1c[nH]c(C)n1 ZINC001232463778 978110884 /nfs/dbraw/zinc/11/08/84/978110884.db2.gz NENDJWIUCHHYCK-UHFFFAOYSA-N 1 2 233.319 1.437 20 0 BDADLO CCc1csc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)n1 ZINC001232468974 978119258 /nfs/dbraw/zinc/11/92/58/978119258.db2.gz HIKMISKNMNSCGA-UWVGGRQHSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1csc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)n1 ZINC001232468974 978119267 /nfs/dbraw/zinc/11/92/67/978119267.db2.gz HIKMISKNMNSCGA-UWVGGRQHSA-N 1 2 244.335 1.610 20 0 BDADLO Fc1ccnc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001232498771 978153382 /nfs/dbraw/zinc/15/33/82/978153382.db2.gz LFFLWRNSXLNHAR-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ccnc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001232498771 978153404 /nfs/dbraw/zinc/15/34/04/978153404.db2.gz LFFLWRNSXLNHAR-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Nc1cc(N2CCOCC3(CCC3)C2)[nH+]cn1 ZINC001337119054 978174009 /nfs/dbraw/zinc/17/40/09/978174009.db2.gz PVOBIIREQLXVJY-UHFFFAOYSA-N 1 2 234.303 1.066 20 0 BDADLO COc1cc(C(=O)OCCn2cc[nH+]c2)ccn1 ZINC001337132378 978178969 /nfs/dbraw/zinc/17/89/69/978178969.db2.gz ULVBUDMZBXFSGA-UHFFFAOYSA-N 1 2 247.254 1.144 20 0 BDADLO CCOc1ccnc(C[NH+]2CC3(COC3)C2)c1 ZINC001232578434 978185175 /nfs/dbraw/zinc/18/51/75/978185175.db2.gz BJQRQENAQBIUPJ-UHFFFAOYSA-N 1 2 234.299 1.313 20 0 BDADLO C[C@]1(F)CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1F ZINC001176829679 978190848 /nfs/dbraw/zinc/19/08/48/978190848.db2.gz XAHITIAOKLHHMD-ONGXEEELSA-N 1 2 243.257 1.251 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(F)(F)C1 ZINC001176825898 978192933 /nfs/dbraw/zinc/19/29/33/978192933.db2.gz DKJTYFXIWOHXLG-UHFFFAOYSA-N 1 2 229.230 1.208 20 0 BDADLO CCc1nccnc1NC(=O)CCn1cc[nH+]c1 ZINC001176873376 978219060 /nfs/dbraw/zinc/21/90/60/978219060.db2.gz KGGBSYUWFSYRCG-UHFFFAOYSA-N 1 2 245.286 1.264 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCC12COC2 ZINC001232672061 978222522 /nfs/dbraw/zinc/22/25/22/978222522.db2.gz WMQQZKIJDGBLCB-UHFFFAOYSA-N 1 2 218.300 1.703 20 0 BDADLO CNc1ccccc1C[N@H+]1CCC12COC2 ZINC001232672061 978222532 /nfs/dbraw/zinc/22/25/32/978222532.db2.gz WMQQZKIJDGBLCB-UHFFFAOYSA-N 1 2 218.300 1.703 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)co1 ZINC001596634334 978242281 /nfs/dbraw/zinc/24/22/81/978242281.db2.gz HEXJOSORKNIACD-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H](C)C(F)(F)F)c[nH+]1 ZINC001597249902 978302827 /nfs/dbraw/zinc/30/28/27/978302827.db2.gz DBJAEYWLTHQVIX-LURJTMIESA-N 1 2 249.236 1.787 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H](C)C(F)(F)F)[nH+]1 ZINC001597249902 978302838 /nfs/dbraw/zinc/30/28/38/978302838.db2.gz DBJAEYWLTHQVIX-LURJTMIESA-N 1 2 249.236 1.787 20 0 BDADLO C[N@H+](CCF)Cc1ccc(C(C)(C)O)nc1 ZINC001232832352 978302892 /nfs/dbraw/zinc/30/28/92/978302892.db2.gz DDVDKPBGZIXSIN-UHFFFAOYSA-N 1 2 226.295 1.710 20 0 BDADLO C[N@@H+](CCF)Cc1ccc(C(C)(C)O)nc1 ZINC001232832352 978302901 /nfs/dbraw/zinc/30/29/01/978302901.db2.gz DDVDKPBGZIXSIN-UHFFFAOYSA-N 1 2 226.295 1.710 20 0 BDADLO CC(C)(O)c1ccc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC001232825801 978306339 /nfs/dbraw/zinc/30/63/39/978306339.db2.gz BGTVGBGKVYMVJA-NSHDSACASA-N 1 2 238.306 1.853 20 0 BDADLO CC(C)(O)c1ccc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC001232825801 978306352 /nfs/dbraw/zinc/30/63/52/978306352.db2.gz BGTVGBGKVYMVJA-NSHDSACASA-N 1 2 238.306 1.853 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccncc2C)c[nH+]1 ZINC001597258067 978307514 /nfs/dbraw/zinc/30/75/14/978307514.db2.gz SOWNIKHYIKXNCX-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccncc2C)[nH+]1 ZINC001597258067 978307525 /nfs/dbraw/zinc/30/75/25/978307525.db2.gz SOWNIKHYIKXNCX-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001232878691 978313349 /nfs/dbraw/zinc/31/33/49/978313349.db2.gz RMTJXXYEZWGYDO-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001232878691 978313358 /nfs/dbraw/zinc/31/33/58/978313358.db2.gz RMTJXXYEZWGYDO-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232931681 978343654 /nfs/dbraw/zinc/34/36/54/978343654.db2.gz RBCCRGGPRMNVBA-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232931681 978343665 /nfs/dbraw/zinc/34/36/65/978343665.db2.gz RBCCRGGPRMNVBA-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO CN(CC(=O)Nc1ccc[nH]1)c1cccc[nH+]1 ZINC001177409056 978350824 /nfs/dbraw/zinc/35/08/24/978350824.db2.gz HHSBVWCNAFQKMK-UHFFFAOYSA-N 1 2 230.271 1.485 20 0 BDADLO C[C@H]1CCN1C(=O)CN(C)c1cccc[nH+]1 ZINC001177409301 978353133 /nfs/dbraw/zinc/35/31/33/978353133.db2.gz KSWDHFSUXUEYDO-JTQLQIEISA-N 1 2 219.288 1.139 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3ncoc3c2)CCN1C ZINC001232942802 978354531 /nfs/dbraw/zinc/35/45/31/978354531.db2.gz KLVIYJRYELXGPW-LLVKDONJSA-N 1 2 245.326 1.964 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3ncoc3c2)CCN1C ZINC001232942802 978354542 /nfs/dbraw/zinc/35/45/42/978354542.db2.gz KLVIYJRYELXGPW-LLVKDONJSA-N 1 2 245.326 1.964 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1(C)CC1 ZINC001337469612 978356286 /nfs/dbraw/zinc/35/62/86/978356286.db2.gz UEZJFHQVJLKRIZ-QWRGUYRKSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1(C)CC1 ZINC001337469611 978357175 /nfs/dbraw/zinc/35/71/75/978357175.db2.gz UEZJFHQVJLKRIZ-MNOVXSKESA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cnn(CC(=O)Nc2c(C)c[nH+]cc2C)c1 ZINC001337509034 978382101 /nfs/dbraw/zinc/38/21/01/978382101.db2.gz JVWWTUHIMMVNGO-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+]1CCn2nccc2C1 ZINC001232992994 978395093 /nfs/dbraw/zinc/39/50/93/978395093.db2.gz OLJYQHHEJYZILJ-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1ncc(F)cc1C[N@H+]1CCn2nccc2C1 ZINC001232992994 978395099 /nfs/dbraw/zinc/39/50/99/978395099.db2.gz OLJYQHHEJYZILJ-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Fc1c[nH+]ccc1NCc1nccn1C(F)F ZINC001337650720 978442927 /nfs/dbraw/zinc/44/29/27/978442927.db2.gz JOWWMTFVCOANGU-UHFFFAOYSA-N 1 2 242.204 1.846 20 0 BDADLO CCC[N@H+](C)Cc1nc2ccccn2n1 ZINC001233067603 978455291 /nfs/dbraw/zinc/45/52/91/978455291.db2.gz COIPREIIUBAOHO-UHFFFAOYSA-N 1 2 204.277 1.571 20 0 BDADLO CCC[N@@H+](C)Cc1nc2ccccn2n1 ZINC001233067603 978455310 /nfs/dbraw/zinc/45/53/10/978455310.db2.gz COIPREIIUBAOHO-UHFFFAOYSA-N 1 2 204.277 1.571 20 0 BDADLO C[C@H](C(=O)N1CC(C(F)F)C1)n1cc[nH+]c1 ZINC001177925208 978471916 /nfs/dbraw/zinc/47/19/16/978471916.db2.gz BWFISZSYUOXVGQ-SSDOTTSWSA-N 1 2 229.230 1.168 20 0 BDADLO C[C@H](C(=O)N(C)C1CC(F)(F)C1)n1cc[nH+]c1 ZINC001177921641 978472017 /nfs/dbraw/zinc/47/20/17/978472017.db2.gz IKOZEOXDBBRIMP-MRVPVSSYSA-N 1 2 243.257 1.700 20 0 BDADLO C[C@H](C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1)n1cc[nH+]c1 ZINC001177922509 978473288 /nfs/dbraw/zinc/47/32/88/978473288.db2.gz MFQHSWPEWJXODO-RCWTZXSCSA-N 1 2 237.278 1.261 20 0 BDADLO C[C@H](C(=O)NC1(C(F)(F)F)CC1)n1cc[nH+]c1 ZINC001177929813 978478004 /nfs/dbraw/zinc/47/80/04/978478004.db2.gz ROWFJRQHSDMVBJ-SSDOTTSWSA-N 1 2 247.220 1.655 20 0 BDADLO Cc1cc(C[N@@H+](C)C2COC2)cnc1C ZINC001233162196 978482056 /nfs/dbraw/zinc/48/20/56/978482056.db2.gz WRMBMRFEKKLNSC-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO Cc1cc(C[N@H+](C)C2COC2)cnc1C ZINC001233162196 978482059 /nfs/dbraw/zinc/48/20/59/978482059.db2.gz WRMBMRFEKKLNSC-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(F)c(O)c1 ZINC001177998758 978488412 /nfs/dbraw/zinc/48/84/12/978488412.db2.gz WMMMSSLUDWSWIT-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO Cc1cnc(NC(=O)CCc2[nH]cc[nH+]2)nc1C ZINC001177990707 978493000 /nfs/dbraw/zinc/49/30/00/978493000.db2.gz ZTIXNVVLXCWDFL-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001233193437 978494271 /nfs/dbraw/zinc/49/42/71/978494271.db2.gz ATVBXMOFWJMPOS-WDEREUQCSA-N 1 2 220.272 1.069 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001233193437 978494279 /nfs/dbraw/zinc/49/42/79/978494279.db2.gz ATVBXMOFWJMPOS-WDEREUQCSA-N 1 2 220.272 1.069 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cn(CC)nc2C)[nH]1 ZINC001337790668 978497470 /nfs/dbraw/zinc/49/74/70/978497470.db2.gz GYSQGGRDMVGJFX-UHFFFAOYSA-N 1 2 248.334 1.182 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc(C)c(O)c1 ZINC001233231691 978503765 /nfs/dbraw/zinc/50/37/65/978503765.db2.gz YFZSNOACOXHRQA-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc(C)c(O)c1 ZINC001233231691 978503776 /nfs/dbraw/zinc/50/37/76/978503776.db2.gz YFZSNOACOXHRQA-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO O=C(Nc1ccc[nH]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178101662 978506223 /nfs/dbraw/zinc/50/62/23/978506223.db2.gz CVXPGHXMNPJJNU-SECBINFHSA-N 1 2 230.271 1.412 20 0 BDADLO Cn1ccc(NCc2cccc3[nH+]ccn32)n1 ZINC001178165990 978517076 /nfs/dbraw/zinc/51/70/76/978517076.db2.gz QJUQYPPYVKUCQR-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO Cc1cc(F)cc(N(C)CC2(O)CCC2)[nH+]1 ZINC001337833175 978517925 /nfs/dbraw/zinc/51/79/25/978517925.db2.gz XYRQBAVITCWPKE-UHFFFAOYSA-N 1 2 224.279 1.880 20 0 BDADLO CCn1cc([C@@H](C)Nc2cc(N)nc[nH+]2)cn1 ZINC001337892282 978550072 /nfs/dbraw/zinc/55/00/72/978550072.db2.gz JIFUDKSYQBPJDZ-MRVPVSSYSA-N 1 2 232.291 1.448 20 0 BDADLO CO[C@H]1CN(Cc2cccc3[nH+]ccn32)C[C@@H]1F ZINC001233361053 978573273 /nfs/dbraw/zinc/57/32/73/978573273.db2.gz WVMAWLHPRYMJMA-RYUDHWBXSA-N 1 2 249.289 1.503 20 0 BDADLO Nc1cccc(CN2CCCC(=O)[C@@H](F)C2)[nH+]1 ZINC001233368850 978584837 /nfs/dbraw/zinc/58/48/37/978584837.db2.gz KOJAWCHOSFIAJT-JTQLQIEISA-N 1 2 237.278 1.167 20 0 BDADLO Nc1cccc(CN2CCc3ncsc3C2)[nH+]1 ZINC001233372071 978586594 /nfs/dbraw/zinc/58/65/94/978586594.db2.gz WDWDMWOSXLKPOZ-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1cccc(C[N@@H+]2CCc3ncsc3C2)n1 ZINC001233372071 978586598 /nfs/dbraw/zinc/58/65/98/978586598.db2.gz WDWDMWOSXLKPOZ-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1cccc(C[N@H+]2CCc3ncsc3C2)n1 ZINC001233372071 978586601 /nfs/dbraw/zinc/58/66/01/978586601.db2.gz WDWDMWOSXLKPOZ-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@H]2C[C@@H]2C)[nH+]1 ZINC001178563951 978596042 /nfs/dbraw/zinc/59/60/42/978596042.db2.gz OQHKJBWYCRCPFE-CBAPKCEASA-N 1 2 207.277 1.033 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001178565373 978596085 /nfs/dbraw/zinc/59/60/85/978596085.db2.gz NHBUBKUZSIVNSX-ONGXEEELSA-N 1 2 220.272 1.233 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC001233394003 978599928 /nfs/dbraw/zinc/59/99/28/978599928.db2.gz VWRILVDPZMEWAM-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1c(F)ccc(O)c1F ZINC001233394003 978599933 /nfs/dbraw/zinc/59/99/33/978599933.db2.gz VWRILVDPZMEWAM-MRVPVSSYSA-N 1 2 243.253 1.627 20 0 BDADLO CCC[C@@H](OC)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178669907 978605801 /nfs/dbraw/zinc/60/58/01/978605801.db2.gz QVKNEOLWANDECI-SNVBAGLBSA-N 1 2 239.319 1.403 20 0 BDADLO CCC[C@@H](OC)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178669907 978605808 /nfs/dbraw/zinc/60/58/08/978605808.db2.gz QVKNEOLWANDECI-SNVBAGLBSA-N 1 2 239.319 1.403 20 0 BDADLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCF)C1CC1 ZINC001233528486 978622027 /nfs/dbraw/zinc/62/20/27/978622027.db2.gz AGPSEBXWVAEKIT-ZYHUDNBSSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCF)C1CC1 ZINC001233528486 978622038 /nfs/dbraw/zinc/62/20/38/978622038.db2.gz AGPSEBXWVAEKIT-ZYHUDNBSSA-N 1 2 242.338 1.535 20 0 BDADLO COc1ccc2c(c1)[nH]nc2OC1C[NH+](C)C1 ZINC001233608616 978648462 /nfs/dbraw/zinc/64/84/62/978648462.db2.gz IDCXMLZOHUIVCW-UHFFFAOYSA-N 1 2 233.271 1.264 20 0 BDADLO Cc1ocnc1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179091766 978666119 /nfs/dbraw/zinc/66/61/19/978666119.db2.gz CKKOZTNHERVZOS-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1ocnc1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179091766 978666127 /nfs/dbraw/zinc/66/61/27/978666127.db2.gz CKKOZTNHERVZOS-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CC1(C)C[NH+](Cc2ccc3c(n2)OCCO3)C1 ZINC001233839948 978708776 /nfs/dbraw/zinc/70/87/76/978708776.db2.gz ZEBBFTZLXFLJOI-UHFFFAOYSA-N 1 2 234.299 1.695 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccoc1 ZINC001204247675 978710757 /nfs/dbraw/zinc/71/07/57/978710757.db2.gz ONIIWCZYJAMTFY-GRYCIOLGSA-N 1 2 235.283 1.806 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccoc1 ZINC001204247675 978710759 /nfs/dbraw/zinc/71/07/59/978710759.db2.gz ONIIWCZYJAMTFY-GRYCIOLGSA-N 1 2 235.283 1.806 20 0 BDADLO Cc1cc2c[nH]nc2cc1OC1C[NH+](C)C1 ZINC001234034575 978759479 /nfs/dbraw/zinc/75/94/79/978759479.db2.gz VQKXUAMRAILGTL-UHFFFAOYSA-N 1 2 217.272 1.564 20 0 BDADLO CC1(C)CCC[C@H]([NH2+]Cc2nnc(CO)[nH]2)C1 ZINC001179842178 978762323 /nfs/dbraw/zinc/76/23/23/978762323.db2.gz DPQYZWTUNFYOFE-VIFPVBQESA-N 1 2 238.335 1.355 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000069847478 978762934 /nfs/dbraw/zinc/76/29/34/978762934.db2.gz NHYPOOOLIWXJNY-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001338994237 978768095 /nfs/dbraw/zinc/76/80/95/978768095.db2.gz YDNMAWCASPHFOR-QWRGUYRKSA-N 1 2 234.299 1.484 20 0 BDADLO CC[NH+]1CC(Oc2cnc(Cl)c(OC)c2)C1 ZINC001234125268 978781598 /nfs/dbraw/zinc/78/15/98/978781598.db2.gz VZJRUBRUYXEARI-UHFFFAOYSA-N 1 2 242.706 1.827 20 0 BDADLO COC[C@@H]1C[N@H+](C[C@H](C)C(F)(F)F)CCO1 ZINC000441155436 978818005 /nfs/dbraw/zinc/81/80/05/978818005.db2.gz OSHMUTOZQBFLMW-IUCAKERBSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@@H]1C[N@@H+](C[C@H](C)C(F)(F)F)CCO1 ZINC000441155436 978818008 /nfs/dbraw/zinc/81/80/08/978818008.db2.gz OSHMUTOZQBFLMW-IUCAKERBSA-N 1 2 241.253 1.532 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc3cccnc3[nH]2)C1 ZINC001234630278 978878269 /nfs/dbraw/zinc/87/82/69/978878269.db2.gz SSGKFZVTXVZINX-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc3cccnc3[nH]2)C1 ZINC001234630278 978878270 /nfs/dbraw/zinc/87/82/70/978878270.db2.gz SSGKFZVTXVZINX-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(F)cn2)CCC[C@H]1O ZINC001235004238 978947123 /nfs/dbraw/zinc/94/71/23/978947123.db2.gz JELWRGCKAAMQAM-MWLCHTKSSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(F)cn2)CCC[C@H]1O ZINC001235004238 978947126 /nfs/dbraw/zinc/94/71/26/978947126.db2.gz JELWRGCKAAMQAM-MWLCHTKSSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@]1(CF)CC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235002596 978947340 /nfs/dbraw/zinc/94/73/40/978947340.db2.gz BWFDLGRAFYRWOL-LLVKDONJSA-N 1 2 227.258 1.797 20 0 BDADLO C[C@]1(CF)CC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235002596 978947346 /nfs/dbraw/zinc/94/73/46/978947346.db2.gz BWFDLGRAFYRWOL-LLVKDONJSA-N 1 2 227.258 1.797 20 0 BDADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cnn(C)n2)cnn1C ZINC001339979372 978949965 /nfs/dbraw/zinc/94/99/65/978949965.db2.gz JSWSGYKMUACMAH-IUCAKERBSA-N 1 2 248.334 1.269 20 0 BDADLO Fc1cnc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)nc1 ZINC001235009724 978950999 /nfs/dbraw/zinc/95/09/99/978950999.db2.gz AGIDLCRDQKTAIL-WCBMZHEXSA-N 1 2 207.252 1.600 20 0 BDADLO Fc1cnc(C[N@H+]2C[C@H]3CC[C@@H]2C3)nc1 ZINC001235009724 978951002 /nfs/dbraw/zinc/95/10/02/978951002.db2.gz AGIDLCRDQKTAIL-WCBMZHEXSA-N 1 2 207.252 1.600 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(F)cn2)C[C@@]1(C)O ZINC001235007150 978951514 /nfs/dbraw/zinc/95/15/14/978951514.db2.gz RDNWAVYBCJMJBT-BXKDBHETSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(F)cn2)C[C@@]1(C)O ZINC001235007150 978951518 /nfs/dbraw/zinc/95/15/18/978951518.db2.gz RDNWAVYBCJMJBT-BXKDBHETSA-N 1 2 239.294 1.209 20 0 BDADLO C[NH+]1CC(NC(=O)Cc2cc3ccccc3o2)C1 ZINC001181100966 979003145 /nfs/dbraw/zinc/00/31/45/979003145.db2.gz RLRKPDNUJVHZLD-UHFFFAOYSA-N 1 2 244.294 1.406 20 0 BDADLO CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)n1 ZINC001235257226 979010410 /nfs/dbraw/zinc/01/04/10/979010410.db2.gz GEENYXZUTYMULB-STQMWFEESA-N 1 2 218.300 1.617 20 0 BDADLO CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)n1 ZINC001235257226 979010417 /nfs/dbraw/zinc/01/04/17/979010417.db2.gz GEENYXZUTYMULB-STQMWFEESA-N 1 2 218.300 1.617 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181229123 979024818 /nfs/dbraw/zinc/02/48/18/979024818.db2.gz HFROZGBGUFTBMA-PHIMTYICSA-N 1 2 247.342 1.996 20 0 BDADLO Nc1cc(CC(=O)Nc2cccnc2F)cc[nH+]1 ZINC001181229866 979025635 /nfs/dbraw/zinc/02/56/35/979025635.db2.gz MSZZRZFEHWPCIE-UHFFFAOYSA-N 1 2 246.245 1.379 20 0 BDADLO Nc1cc(CC(=O)N[C@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC001181276773 979031019 /nfs/dbraw/zinc/03/10/19/979031019.db2.gz ISQKTECDWIGKBS-QWRGUYRKSA-N 1 2 231.299 1.121 20 0 BDADLO Nc1cc(CC(=O)N[C@@H]2CC=CCC2)cc[nH+]1 ZINC001181279556 979032395 /nfs/dbraw/zinc/03/23/95/979032395.db2.gz LDDGOAMTDWPCPF-LLVKDONJSA-N 1 2 231.299 1.431 20 0 BDADLO CCN(C(=O)[C@H]1CC1(C)C)C1C[NH+](C)C1 ZINC001181300771 979036246 /nfs/dbraw/zinc/03/62/46/979036246.db2.gz UBZXHGQGDBJVDI-SNVBAGLBSA-N 1 2 210.321 1.195 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235417371 979043474 /nfs/dbraw/zinc/04/34/74/979043474.db2.gz MMBGAQOJBKQQMK-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235417371 979043482 /nfs/dbraw/zinc/04/34/82/979043482.db2.gz MMBGAQOJBKQQMK-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CC(F)(F)C[C@H]1CF ZINC001235539178 979076547 /nfs/dbraw/zinc/07/65/47/979076547.db2.gz QHLZYVBUGUBJEA-VIFPVBQESA-N 1 2 247.264 1.908 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCc2occc2C1 ZINC001235545969 979084747 /nfs/dbraw/zinc/08/47/47/979084747.db2.gz AZSMLXWWZFORJJ-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCc2occc2C1 ZINC001235545969 979084758 /nfs/dbraw/zinc/08/47/58/979084758.db2.gz AZSMLXWWZFORJJ-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001235550832 979092212 /nfs/dbraw/zinc/09/22/12/979092212.db2.gz ZJKQUCRHOKCSGG-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001235550832 979092218 /nfs/dbraw/zinc/09/22/18/979092218.db2.gz ZJKQUCRHOKCSGG-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO OCCC[NH+]1CC(Oc2ccccc2)C1 ZINC001235704814 979131270 /nfs/dbraw/zinc/13/12/70/979131270.db2.gz BDKLAZXVZYLWEJ-UHFFFAOYSA-N 1 2 207.273 1.132 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)c[nH]c1=O ZINC001341187465 979269191 /nfs/dbraw/zinc/26/91/91/979269191.db2.gz MTXAQZMSJXISNF-VIFPVBQESA-N 1 2 246.270 1.492 20 0 BDADLO CCCc1ncc(C[NH2+]Cc2cccnc2N)o1 ZINC001181763389 979286348 /nfs/dbraw/zinc/28/63/48/979286348.db2.gz ICEAZFJHGDBPDZ-UHFFFAOYSA-N 1 2 246.314 1.894 20 0 BDADLO CCC(CC)(CC(=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC001595057227 979297642 /nfs/dbraw/zinc/29/76/42/979297642.db2.gz GOAGVQIPKQWUGO-UHFFFAOYSA-N 1 2 242.363 1.705 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2CC23CCCCC3)C1 ZINC001181908593 979367119 /nfs/dbraw/zinc/36/71/19/979367119.db2.gz NIFIAAMACYVWDL-LLVKDONJSA-N 1 2 222.332 1.387 20 0 BDADLO OC1C[NH+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001250030269 979370196 /nfs/dbraw/zinc/37/01/96/979370196.db2.gz RSRQKRVLJKEZQX-UHFFFAOYSA-N 1 2 245.244 1.968 20 0 BDADLO [NH3+][C@@H]1CCN(Cc2ccc(S)cc2)C1 ZINC001236174797 979437165 /nfs/dbraw/zinc/43/71/65/979437165.db2.gz YTWSKCPTEBUNRQ-SNVBAGLBSA-N 1 2 208.330 1.508 20 0 BDADLO c1cc(N2CCOCC2)[nH+]cc1CC1CC1 ZINC001250036551 979458810 /nfs/dbraw/zinc/45/88/10/979458810.db2.gz VUOWTWIITGNEPY-UHFFFAOYSA-N 1 2 218.300 1.871 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001341567194 979471321 /nfs/dbraw/zinc/47/13/21/979471321.db2.gz FPWLEUZWPCJCCN-GFCCVEGCSA-N 1 2 237.347 1.967 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001341567194 979471323 /nfs/dbraw/zinc/47/13/23/979471323.db2.gz FPWLEUZWPCJCCN-GFCCVEGCSA-N 1 2 237.347 1.967 20 0 BDADLO CCOc1cc(F)c(C[N@H+](C)CCO)c(F)c1 ZINC001236256104 979474948 /nfs/dbraw/zinc/47/49/48/979474948.db2.gz LBPRJLDDWHHHHO-UHFFFAOYSA-N 1 2 245.269 1.788 20 0 BDADLO CCOc1cc(F)c(C[N@@H+](C)CCO)c(F)c1 ZINC001236256104 979474951 /nfs/dbraw/zinc/47/49/51/979474951.db2.gz LBPRJLDDWHHHHO-UHFFFAOYSA-N 1 2 245.269 1.788 20 0 BDADLO O=C(COCC1CC1)Nc1cc[nH+]c2c1CCC2 ZINC001182476921 979546484 /nfs/dbraw/zinc/54/64/84/979546484.db2.gz WUXAIKDGMWGFON-UHFFFAOYSA-N 1 2 246.310 1.357 20 0 BDADLO C[NH+]1CC(NC(=O)Cc2occ3ccccc32)C1 ZINC001182503358 979550004 /nfs/dbraw/zinc/55/00/04/979550004.db2.gz MOVUBLRPYWPUMM-UHFFFAOYSA-N 1 2 244.294 1.406 20 0 BDADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1nnc2n1CCC2 ZINC001341944747 979600484 /nfs/dbraw/zinc/60/04/84/979600484.db2.gz IVXYTYHRXDHEKR-MRVPVSSYSA-N 1 2 246.318 1.107 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nccnc1Cl ZINC001236614297 979679562 /nfs/dbraw/zinc/67/95/62/979679562.db2.gz WAQSCHILCOLDPI-SFYZADRCSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nccnc1Cl ZINC001236614297 979679564 /nfs/dbraw/zinc/67/95/64/979679564.db2.gz WAQSCHILCOLDPI-SFYZADRCSA-N 1 2 227.695 1.085 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236625948 979684518 /nfs/dbraw/zinc/68/45/18/979684518.db2.gz USKLZJGHZPTNTF-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236625948 979684521 /nfs/dbraw/zinc/68/45/21/979684521.db2.gz USKLZJGHZPTNTF-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO CSC[C@H](C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001183217581 979776883 /nfs/dbraw/zinc/77/68/83/979776883.db2.gz SIAMSFVBIWYYLP-QMMMGPOBSA-N 1 2 241.360 1.376 20 0 BDADLO S=C1C=COC1C[NH+]1CC2(CCO2)C1 ZINC001237193133 979842069 /nfs/dbraw/zinc/84/20/69/979842069.db2.gz YHNUYNVXDPZMKF-UHFFFAOYSA-N 1 2 211.286 1.543 20 0 BDADLO CC(=O)[C@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC001237222738 979856546 /nfs/dbraw/zinc/85/65/46/979856546.db2.gz JJYODQYNUABMOA-CYBMUJFWSA-N 1 2 234.299 1.059 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC001237222738 979856549 /nfs/dbraw/zinc/85/65/49/979856549.db2.gz JJYODQYNUABMOA-CYBMUJFWSA-N 1 2 234.299 1.059 20 0 BDADLO CC[N@H+](CC[NH2+]C1CC(CC(=O)[O-])C1)C1CC1 ZINC001605447724 979875468 /nfs/dbraw/zinc/87/54/68/979875468.db2.gz GCAXEOQFSNENIJ-UHFFFAOYSA-N 1 2 240.347 1.314 20 0 BDADLO CC[N@@H+](CC[NH2+]C1CC(CC(=O)[O-])C1)C1CC1 ZINC001605447724 979875472 /nfs/dbraw/zinc/87/54/72/979875472.db2.gz GCAXEOQFSNENIJ-UHFFFAOYSA-N 1 2 240.347 1.314 20 0 BDADLO CC(=O)Nc1ccccc1C[N@@H+](C)C1COC1 ZINC001237414322 979888879 /nfs/dbraw/zinc/88/88/79/979888879.db2.gz ANAAPVUFQGNNOS-UHFFFAOYSA-N 1 2 234.299 1.476 20 0 BDADLO CC(=O)Nc1ccccc1C[N@H+](C)C1COC1 ZINC001237414322 979888883 /nfs/dbraw/zinc/88/88/83/979888883.db2.gz ANAAPVUFQGNNOS-UHFFFAOYSA-N 1 2 234.299 1.476 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2cc3ccccn3n2)C1 ZINC001237448217 979895038 /nfs/dbraw/zinc/89/50/38/979895038.db2.gz FAVKJGUXTRIEJG-LLVKDONJSA-N 1 2 245.326 1.801 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccn3nccc3c2)C[C@H]1F ZINC001237548165 979934769 /nfs/dbraw/zinc/93/47/69/979934769.db2.gz GVXNYUZTUABENU-CHWSQXEVSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccn3nccc3c2)C[C@H]1F ZINC001237548165 979934773 /nfs/dbraw/zinc/93/47/73/979934773.db2.gz GVXNYUZTUABENU-CHWSQXEVSA-N 1 2 249.289 1.239 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2nc(C)co2)C1 ZINC001237648843 979977897 /nfs/dbraw/zinc/97/78/97/979977897.db2.gz JVBFETCFUMDYHK-NSHDSACASA-N 1 2 222.288 1.784 20 0 BDADLO c1cn(C2CC2)c(C[N@H+]2CC=CCC2)n1 ZINC001343022197 979979394 /nfs/dbraw/zinc/97/93/94/979979394.db2.gz WMSVGVWXZKOLLH-UHFFFAOYSA-N 1 2 203.289 1.980 20 0 BDADLO c1cn(C2CC2)c(C[N@@H+]2CC=CCC2)n1 ZINC001343022197 979979405 /nfs/dbraw/zinc/97/94/05/979979405.db2.gz WMSVGVWXZKOLLH-UHFFFAOYSA-N 1 2 203.289 1.980 20 0 BDADLO Cc1coc(C[N@H+](C)CCc2noc(C)n2)n1 ZINC001237636270 979987486 /nfs/dbraw/zinc/98/74/86/979987486.db2.gz XACVRZFHGXKAQI-UHFFFAOYSA-N 1 2 236.275 1.349 20 0 BDADLO Cc1coc(C[N@@H+](C)CCc2noc(C)n2)n1 ZINC001237636270 979987489 /nfs/dbraw/zinc/98/74/89/979987489.db2.gz XACVRZFHGXKAQI-UHFFFAOYSA-N 1 2 236.275 1.349 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2nc(C)co2)C1 ZINC001237643397 979994737 /nfs/dbraw/zinc/99/47/37/979994737.db2.gz PLLWLSGPBJTJCI-JTQLQIEISA-N 1 2 208.261 1.394 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2nc(C)co2)C1 ZINC001237643397 979994752 /nfs/dbraw/zinc/99/47/52/979994752.db2.gz PLLWLSGPBJTJCI-JTQLQIEISA-N 1 2 208.261 1.394 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC001237651425 980005416 /nfs/dbraw/zinc/00/54/16/980005416.db2.gz LQBMIFMYEHYIMQ-JTQLQIEISA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCCO[C@@H](C)C1 ZINC001237651425 980005420 /nfs/dbraw/zinc/00/54/20/980005420.db2.gz LQBMIFMYEHYIMQ-JTQLQIEISA-N 1 2 223.320 1.583 20 0 BDADLO CC[C@H](C)C(=O)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001184319368 980016826 /nfs/dbraw/zinc/01/68/26/980016826.db2.gz OOXLLBHNKVMBBH-GARJFASQSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@H](C)C(=O)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001184319368 980016837 /nfs/dbraw/zinc/01/68/37/980016837.db2.gz OOXLLBHNKVMBBH-GARJFASQSA-N 1 2 240.347 1.153 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001237657603 980018911 /nfs/dbraw/zinc/01/89/11/980018911.db2.gz GVTRKTPJNMXNDA-CYBMUJFWSA-N 1 2 235.331 1.916 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCCC[C@@H]1C(C)=O ZINC001237657603 980018915 /nfs/dbraw/zinc/01/89/15/980018915.db2.gz GVTRKTPJNMXNDA-CYBMUJFWSA-N 1 2 235.331 1.916 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC001237707782 980027110 /nfs/dbraw/zinc/02/71/10/980027110.db2.gz KIVYJNQWIAMCAS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC001237707782 980027126 /nfs/dbraw/zinc/02/71/26/980027126.db2.gz KIVYJNQWIAMCAS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[NH+](C)C)c(Cl)n1 ZINC001237793474 980048904 /nfs/dbraw/zinc/04/89/04/980048904.db2.gz CPBKZTJTUVDGOL-UHFFFAOYSA-N 1 2 200.669 1.805 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)s1 ZINC001237831593 980079716 /nfs/dbraw/zinc/07/97/16/980079716.db2.gz ZIHWVVVDNYHNEF-UWVGGRQHSA-N 1 2 237.372 1.594 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)s1 ZINC001237831593 980079729 /nfs/dbraw/zinc/07/97/29/980079729.db2.gz ZIHWVVVDNYHNEF-UWVGGRQHSA-N 1 2 237.372 1.594 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2c[nH]ccc2=O)C[C@@H]1F ZINC001237835092 980079831 /nfs/dbraw/zinc/07/98/31/980079831.db2.gz OCXHTXZUVQNHDK-NWDGAFQWSA-N 1 2 242.269 1.647 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2c[nH]ccc2=O)C[C@@H]1F ZINC001237835092 980079842 /nfs/dbraw/zinc/07/98/42/980079842.db2.gz OCXHTXZUVQNHDK-NWDGAFQWSA-N 1 2 242.269 1.647 20 0 BDADLO O=c1cc[nH]cc1C[N@@H+]1CCc2ncsc2C1 ZINC001237838001 980085563 /nfs/dbraw/zinc/08/55/63/980085563.db2.gz QCSMQELVHLMRHK-UHFFFAOYSA-N 1 2 247.323 1.390 20 0 BDADLO O=c1cc[nH]cc1C[N@H+]1CCc2ncsc2C1 ZINC001237838001 980085570 /nfs/dbraw/zinc/08/55/70/980085570.db2.gz QCSMQELVHLMRHK-UHFFFAOYSA-N 1 2 247.323 1.390 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]ccc1=O ZINC001237848752 980094483 /nfs/dbraw/zinc/09/44/83/980094483.db2.gz QPWYYWOXXRVVII-NSHDSACASA-N 1 2 243.310 1.753 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]ccc1=O ZINC001237848752 980094492 /nfs/dbraw/zinc/09/44/92/980094492.db2.gz QPWYYWOXXRVVII-NSHDSACASA-N 1 2 243.310 1.753 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NC2C[NH+](C)C2)C1 ZINC001184513352 980102995 /nfs/dbraw/zinc/10/29/95/980102995.db2.gz UOLLNWPGVQMHCN-NXEZZACHSA-N 1 2 210.321 1.243 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(F)cc2Cl)C[C@H]1O ZINC001238017076 980124605 /nfs/dbraw/zinc/12/46/05/980124605.db2.gz JZDQIAGWDVUIES-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(F)cc2Cl)C[C@H]1O ZINC001238017076 980124611 /nfs/dbraw/zinc/12/46/11/980124611.db2.gz JZDQIAGWDVUIES-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(F)cc2Cl)C[C@@H]1O ZINC001238017079 980125739 /nfs/dbraw/zinc/12/57/39/980125739.db2.gz JZDQIAGWDVUIES-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(F)cc2Cl)C[C@@H]1O ZINC001238017079 980125746 /nfs/dbraw/zinc/12/57/46/980125746.db2.gz JZDQIAGWDVUIES-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001238091651 980140384 /nfs/dbraw/zinc/14/03/84/980140384.db2.gz AYKUQLVETKXJGL-QWHCGFSZSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001238091651 980140389 /nfs/dbraw/zinc/14/03/89/980140389.db2.gz AYKUQLVETKXJGL-QWHCGFSZSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1[nH+]c(C(=O)[O-])cn1C[C@@H]1CC[C@H]([NH3+])C1 ZINC001607949672 980144280 /nfs/dbraw/zinc/14/42/80/980144280.db2.gz VKUJWZMSRMKYJV-BDAKNGLRSA-N 1 2 223.276 1.017 20 0 BDADLO Nc1ccnc(F)c1C[N@@H+]1CCCOCC1 ZINC001238153285 980177453 /nfs/dbraw/zinc/17/74/53/980177453.db2.gz LLDYPIMDLSZWSK-UHFFFAOYSA-N 1 2 225.267 1.025 20 0 BDADLO Nc1ccnc(F)c1C[N@H+]1CCCOCC1 ZINC001238153285 980177457 /nfs/dbraw/zinc/17/74/57/980177457.db2.gz LLDYPIMDLSZWSK-UHFFFAOYSA-N 1 2 225.267 1.025 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2c(N)ccnc2F)C1 ZINC001238166917 980197555 /nfs/dbraw/zinc/19/75/55/980197555.db2.gz QRBZPTBSYCCIOO-MRVPVSSYSA-N 1 2 239.294 1.270 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001238166294 980197637 /nfs/dbraw/zinc/19/76/37/980197637.db2.gz ZBLXVASLZHHLDR-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1ncncc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001238166294 980197638 /nfs/dbraw/zinc/19/76/38/980197638.db2.gz ZBLXVASLZHHLDR-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1ncncc1C[N@H+](C)Cc1cccnc1 ZINC001238168137 980199617 /nfs/dbraw/zinc/19/96/17/980199617.db2.gz PZYAIORCJFTSRJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncncc1C[N@@H+](C)Cc1cccnc1 ZINC001238168137 980199624 /nfs/dbraw/zinc/19/96/24/980199624.db2.gz PZYAIORCJFTSRJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001608530754 980222047 /nfs/dbraw/zinc/22/20/47/980222047.db2.gz DBOBMJWPRVNAJI-VXGBXAGGSA-N 1 2 249.314 1.383 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001608530754 980222053 /nfs/dbraw/zinc/22/20/53/980222053.db2.gz DBOBMJWPRVNAJI-VXGBXAGGSA-N 1 2 249.314 1.383 20 0 BDADLO C[N@@H+](Cc1c(F)ccnc1Cl)CC1COC1 ZINC001238231437 980228385 /nfs/dbraw/zinc/22/83/85/980228385.db2.gz WESVIBRPWFAMPP-UHFFFAOYSA-N 1 2 244.697 1.952 20 0 BDADLO C[N@H+](Cc1c(F)ccnc1Cl)CC1COC1 ZINC001238231437 980228395 /nfs/dbraw/zinc/22/83/95/980228395.db2.gz WESVIBRPWFAMPP-UHFFFAOYSA-N 1 2 244.697 1.952 20 0 BDADLO O=C([O-])[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC001608623393 980251571 /nfs/dbraw/zinc/25/15/71/980251571.db2.gz QXZVYSRRLZGQNS-QWRGUYRKSA-N 1 2 237.303 1.116 20 0 BDADLO CCN(C(=O)Nc1cccnc1)C1C[NH+](C)C1 ZINC001185684404 980266498 /nfs/dbraw/zinc/26/64/98/980266498.db2.gz OILINWQIMNOYLR-UHFFFAOYSA-N 1 2 234.303 1.249 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H]2C)cnc1F ZINC001238450672 980268843 /nfs/dbraw/zinc/26/88/43/980268843.db2.gz GJYKYZGFOFXDHW-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H]2C)cnc1F ZINC001238450672 980268850 /nfs/dbraw/zinc/26/88/50/980268850.db2.gz GJYKYZGFOFXDHW-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1(CF)CCC1 ZINC001344835228 980479948 /nfs/dbraw/zinc/47/99/48/980479948.db2.gz ARDQQCYOSXDKRM-JTQLQIEISA-N 1 2 247.285 1.713 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1(CF)CCC1 ZINC001344835228 980479953 /nfs/dbraw/zinc/47/99/53/980479953.db2.gz ARDQQCYOSXDKRM-JTQLQIEISA-N 1 2 247.285 1.713 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C(=O)[O-])cc1 ZINC001595317408 980492231 /nfs/dbraw/zinc/49/22/31/980492231.db2.gz RPDJUQGDXNNPRT-QWHCGFSZSA-N 1 2 248.326 1.787 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1=CCOCC1 ZINC001344972153 980509435 /nfs/dbraw/zinc/50/94/35/980509435.db2.gz NJLUQTUYRHRIDM-UHFFFAOYSA-N 1 2 236.271 1.293 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccco1 ZINC001345592367 980640550 /nfs/dbraw/zinc/64/05/50/980640550.db2.gz XHVUSCOKJBGNKJ-UHFFFAOYSA-N 1 2 220.228 1.853 20 0 BDADLO Cc1[nH+]cc(NS(=O)(=O)c2ccoc2)n1C ZINC001188580348 980670541 /nfs/dbraw/zinc/67/05/41/980670541.db2.gz YBLJJMDQMOEYMX-UHFFFAOYSA-N 1 2 241.272 1.122 20 0 BDADLO CC(=O)NCc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250315003 980754074 /nfs/dbraw/zinc/75/40/74/980754074.db2.gz AXAXZSLPRGCDID-UHFFFAOYSA-N 1 2 243.310 1.762 20 0 BDADLO COc1cc(CO)ccc1CCn1cc[nH+]c1 ZINC001250319431 980765406 /nfs/dbraw/zinc/76/54/06/980765406.db2.gz DJWWHHXZKWZHKF-UHFFFAOYSA-N 1 2 232.283 1.627 20 0 BDADLO CNc1cc(-c2cnc(OC)c(N)c2)cc[nH+]1 ZINC001239645553 980826687 /nfs/dbraw/zinc/82/66/87/980826687.db2.gz YVFARKYOBNIEOF-UHFFFAOYSA-N 1 2 230.271 1.776 20 0 BDADLO CCc1cn(CC(=O)NCc2ccco2)c[nH+]1 ZINC001190102768 980845925 /nfs/dbraw/zinc/84/59/25/980845925.db2.gz CSSFMBKEVLYGRS-UHFFFAOYSA-N 1 2 233.271 1.355 20 0 BDADLO CCCCNC(=O)N(CC)CCn1cc[nH+]c1 ZINC001190607445 980896914 /nfs/dbraw/zinc/89/69/14/980896914.db2.gz DUNRMXGDQMOJOX-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO FC(F)Cc1cc[nH+]c(N2CCOCC2)c1 ZINC001250392070 980905416 /nfs/dbraw/zinc/90/54/16/980905416.db2.gz MWMTVZUVYLQJDZ-UHFFFAOYSA-N 1 2 228.242 1.726 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001346862092 980920594 /nfs/dbraw/zinc/92/05/94/980920594.db2.gz WCXVYVWDMKZQFQ-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001347018628 980952593 /nfs/dbraw/zinc/95/25/93/980952593.db2.gz NCZRLIACFWYVLJ-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO Nc1ccc(-c2c[nH+]c3c(c2)CCCN3)c(F)n1 ZINC001239831420 980975416 /nfs/dbraw/zinc/97/54/16/980975416.db2.gz QFICUAAKILHTNJ-UHFFFAOYSA-N 1 2 244.273 1.866 20 0 BDADLO Cc1c[nH]c(C(=O)NCCc2cn(C)c[nH+]2)c1C ZINC001191159284 980984772 /nfs/dbraw/zinc/98/47/72/980984772.db2.gz DIFFMKHZBGOPEP-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO CNC(=O)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001239851567 980990344 /nfs/dbraw/zinc/99/03/44/980990344.db2.gz PDCJASYOOYTSDK-UHFFFAOYSA-N 1 2 228.255 1.085 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)Nc1ccccn1 ZINC001191367368 981027637 /nfs/dbraw/zinc/02/76/37/981027637.db2.gz WPGIDTALNOTKOP-UHFFFAOYSA-N 1 2 245.286 1.179 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001347478324 981090616 /nfs/dbraw/zinc/09/06/16/981090616.db2.gz VMKDRZFPUAEOQO-QJPTWQEYSA-N 1 2 247.342 1.658 20 0 BDADLO C[C@H](CC(=O)NCCc1[nH+]ccn1C)C1CC1 ZINC001347513687 981105668 /nfs/dbraw/zinc/10/56/68/981105668.db2.gz BTZNJSJCJVBEKN-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1noc(NCCNc2cccc[nH+]2)n1 ZINC001347868250 981201502 /nfs/dbraw/zinc/20/15/02/981201502.db2.gz XYOWXPUIPQWAHM-UHFFFAOYSA-N 1 2 219.248 1.297 20 0 BDADLO CNc1cc(CNC(=O)NC[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001348068638 981271795 /nfs/dbraw/zinc/27/17/95/981271795.db2.gz NIOIKTGIGMIBGJ-KOLCDFICSA-N 1 2 248.330 1.579 20 0 BDADLO Cn1cc(-c2cc[nH+]c(N)c2)ccc1=O ZINC001240333296 981276192 /nfs/dbraw/zinc/27/61/92/981276192.db2.gz VLGOYPXOGAAKNZ-UHFFFAOYSA-N 1 2 201.229 1.030 20 0 BDADLO Cn1nc(C[N@H+](C)[C@@H]2CCCOC2)cc1Cl ZINC001348169099 981302599 /nfs/dbraw/zinc/30/25/99/981302599.db2.gz RCWPVRQNWIEXIT-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1nc(C[N@@H+](C)[C@@H]2CCCOC2)cc1Cl ZINC001348169099 981302604 /nfs/dbraw/zinc/30/26/04/981302604.db2.gz RCWPVRQNWIEXIT-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1CC2(CCC2)C1 ZINC001348254990 981318820 /nfs/dbraw/zinc/31/88/20/981318820.db2.gz VMNMJDIJZMWXTD-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cc(Cl)ccn1 ZINC001348270638 981322039 /nfs/dbraw/zinc/32/20/39/981322039.db2.gz MBWKDIUXHWDLOK-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cc(Cl)ccn1 ZINC001348270638 981322046 /nfs/dbraw/zinc/32/20/46/981322046.db2.gz MBWKDIUXHWDLOK-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO CC(C)OC1CC([N@@H+]2CCc3n[nH]nc3C2)C1 ZINC001193535557 981359400 /nfs/dbraw/zinc/35/94/00/981359400.db2.gz FLHDDIDZXYEPOM-UHFFFAOYSA-N 1 2 236.319 1.119 20 0 BDADLO CC(C)OC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001193522166 981369926 /nfs/dbraw/zinc/36/99/26/981369926.db2.gz IGRQXDSDWJKCGU-UHFFFAOYSA-N 1 2 233.271 1.969 20 0 BDADLO CCCCOC(=O)NCCn1cc[nH+]c1 ZINC001193659492 981400740 /nfs/dbraw/zinc/40/07/40/981400740.db2.gz MXJLTIHBKDTZFK-UHFFFAOYSA-N 1 2 211.265 1.409 20 0 BDADLO Nc1cnccc1-c1ccn2cc[nH+]c2c1 ZINC001240503648 981429992 /nfs/dbraw/zinc/42/99/92/981429992.db2.gz QKMBRNUDPXPSCJ-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO COC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193935546 981495424 /nfs/dbraw/zinc/49/54/24/981495424.db2.gz JNLUPPGEJUCZEZ-JTQLQIEISA-N 1 2 235.287 1.406 20 0 BDADLO Cc1ccc(C(=O)NCCOc2cc[nH+]cc2)[nH]1 ZINC001193915208 981512968 /nfs/dbraw/zinc/51/29/68/981512968.db2.gz HNVAMCREASCOTG-UHFFFAOYSA-N 1 2 245.282 1.527 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@@]1(C)CC1(C)C ZINC001349158391 981515275 /nfs/dbraw/zinc/51/52/75/981515275.db2.gz QYBMZCGGTHFVDM-CQSZACIVSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C2CC2)CC1 ZINC001349321197 981532583 /nfs/dbraw/zinc/53/25/83/981532583.db2.gz PFEZBIRVERCPRI-UHFFFAOYSA-N 1 2 233.315 1.412 20 0 BDADLO C[NH+]1CC(NC(=O)Oc2ccc(Cl)cc2)C1 ZINC001194070169 981544396 /nfs/dbraw/zinc/54/43/96/981544396.db2.gz TXURTBCMEQRDAK-UHFFFAOYSA-N 1 2 240.690 1.742 20 0 BDADLO CCCOC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001194149896 981576447 /nfs/dbraw/zinc/57/64/47/981576447.db2.gz FLQFEYBBBXQGQU-UHFFFAOYSA-N 1 2 233.271 1.971 20 0 BDADLO CC(C)(O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001240668522 981578414 /nfs/dbraw/zinc/57/84/14/981578414.db2.gz YEVLRZQMGGGGGP-UHFFFAOYSA-N 1 2 229.283 1.953 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001194143263 981595032 /nfs/dbraw/zinc/59/50/32/981595032.db2.gz MITZGIRBEYOYSY-JTQLQIEISA-N 1 2 232.299 1.557 20 0 BDADLO CCCOC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001194143263 981595039 /nfs/dbraw/zinc/59/50/39/981595039.db2.gz MITZGIRBEYOYSY-JTQLQIEISA-N 1 2 232.299 1.557 20 0 BDADLO CC(C)(C)c1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC001349736098 981678867 /nfs/dbraw/zinc/67/88/67/981678867.db2.gz NYUNKOPPEHUSIA-UHFFFAOYSA-N 1 2 247.302 1.612 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCCO1 ZINC001349791545 981745495 /nfs/dbraw/zinc/74/54/95/981745495.db2.gz KLDHCTIPHIMLKZ-LLVKDONJSA-N 1 2 234.299 1.628 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC1(C)C ZINC001349844992 981787465 /nfs/dbraw/zinc/78/74/65/981787465.db2.gz FSHUMZGIRAFPBD-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO COC/C(C)=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001583150177 981800566 /nfs/dbraw/zinc/80/05/66/981800566.db2.gz IQCNSSGCZPVMKY-YFHOEESVSA-N 1 2 245.282 1.866 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(C)Cc1ccns1 ZINC001584149963 981856244 /nfs/dbraw/zinc/85/62/44/981856244.db2.gz AVSUMAUQVQXQBW-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(C)Cc1ccns1 ZINC001584149963 981856246 /nfs/dbraw/zinc/85/62/46/981856246.db2.gz AVSUMAUQVQXQBW-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC[C@@H](C)COC(=O)NC1C[NH+](C)C1 ZINC001194819269 981912874 /nfs/dbraw/zinc/91/28/74/981912874.db2.gz DFOWKEGKKBXYMN-MRVPVSSYSA-N 1 2 200.282 1.073 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ncc(Cl)s1 ZINC001585999963 981963092 /nfs/dbraw/zinc/96/30/92/981963092.db2.gz VMHWOTPWHVOPOM-UHFFFAOYSA-N 1 2 242.691 1.701 20 0 BDADLO Cc1cccc(F)c1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001586837053 982030557 /nfs/dbraw/zinc/03/05/57/982030557.db2.gz ZCSKMFZMROVWCU-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO CC(C)c1cc(NC(=O)Cc2c[nH]c[nH+]2)no1 ZINC001587046651 982041907 /nfs/dbraw/zinc/04/19/07/982041907.db2.gz ATBYGCKRVOPUDY-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001195157001 982141979 /nfs/dbraw/zinc/14/19/79/982141979.db2.gz NSEGRWZCEPNPTD-WDEREUQCSA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001195157001 982141985 /nfs/dbraw/zinc/14/19/85/982141985.db2.gz NSEGRWZCEPNPTD-WDEREUQCSA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001195156101 982142299 /nfs/dbraw/zinc/14/22/99/982142299.db2.gz FWWPCYNMCLLKSY-GHMZBOCLSA-N 1 2 246.326 1.945 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001195156101 982142306 /nfs/dbraw/zinc/14/23/06/982142306.db2.gz FWWPCYNMCLLKSY-GHMZBOCLSA-N 1 2 246.326 1.945 20 0 BDADLO COc1ccccc1OC(=O)NC1C[NH+](C)C1 ZINC001195280632 982168489 /nfs/dbraw/zinc/16/84/89/982168489.db2.gz DDWSBGJKARNBQQ-UHFFFAOYSA-N 1 2 236.271 1.098 20 0 BDADLO Nc1cc(-c2ccc(=O)n(C(F)F)c2)cc[nH+]1 ZINC001241162467 982300143 /nfs/dbraw/zinc/30/01/43/982300143.db2.gz JUQWIZPODCDYOQ-UHFFFAOYSA-N 1 2 237.209 1.888 20 0 BDADLO CN1Cc2cc(-c3cc[nH+]c(N)c3)cnc2C1=O ZINC001241163223 982300754 /nfs/dbraw/zinc/30/07/54/982300754.db2.gz RAEGQSVKJVXEHD-UHFFFAOYSA-N 1 2 240.266 1.311 20 0 BDADLO CCOC(=O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241162242 982304302 /nfs/dbraw/zinc/30/43/02/982304302.db2.gz GTEKLOPAQWCQHU-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO CNC(=O)c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241163761 982307141 /nfs/dbraw/zinc/30/71/41/982307141.db2.gz ZMMTXJWMEKHUQQ-UHFFFAOYSA-N 1 2 227.267 1.690 20 0 BDADLO COc1cc(-c2cc[nH+]c(N)c2)cnc1F ZINC001241169775 982312716 /nfs/dbraw/zinc/31/27/16/982312716.db2.gz OWRBGKUMSKZFOC-UHFFFAOYSA-N 1 2 219.219 1.874 20 0 BDADLO CC(C)[C@]1(CO)CC[N@H+](Cc2nncs2)C1 ZINC001351441662 982315395 /nfs/dbraw/zinc/31/53/95/982315395.db2.gz OICUBDWNBFQTHE-LLVKDONJSA-N 1 2 241.360 1.379 20 0 BDADLO CC(C)[C@]1(CO)CC[N@@H+](Cc2nncs2)C1 ZINC001351441662 982315401 /nfs/dbraw/zinc/31/54/01/982315401.db2.gz OICUBDWNBFQTHE-LLVKDONJSA-N 1 2 241.360 1.379 20 0 BDADLO CC(C)n1cc(-c2cc[nH+]c(N)c2)cnc1=O ZINC001241170129 982316916 /nfs/dbraw/zinc/31/69/16/982316916.db2.gz JOJJKPBSMONNCE-UHFFFAOYSA-N 1 2 230.271 1.468 20 0 BDADLO CN(C)C(=O)c1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241176086 982327132 /nfs/dbraw/zinc/32/71/32/982327132.db2.gz UNTHBMLNQTWQCN-UHFFFAOYSA-N 1 2 242.282 1.428 20 0 BDADLO O[C@@H](C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1)C(F)(F)F ZINC001250965097 982398240 /nfs/dbraw/zinc/39/82/40/982398240.db2.gz QFXGINXBNAYAOX-XAMCCFCMSA-N 1 2 227.201 1.199 20 0 BDADLO O[C@@H](C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1)C(F)(F)F ZINC001250965097 982398249 /nfs/dbraw/zinc/39/82/49/982398249.db2.gz QFXGINXBNAYAOX-XAMCCFCMSA-N 1 2 227.201 1.199 20 0 BDADLO Cc1nn(C)c(C)c1Nc1nccn2c[nH+]cc12 ZINC001351948132 982415880 /nfs/dbraw/zinc/41/58/80/982415880.db2.gz JIUYJDYNSIYSLK-UHFFFAOYSA-N 1 2 242.286 1.823 20 0 BDADLO C[C@H](C(=O)NCCOC1CCC1)n1cc[nH+]c1 ZINC000081240545 982580913 /nfs/dbraw/zinc/58/09/13/982580913.db2.gz VHWQXEYOQVXIMZ-SNVBAGLBSA-N 1 2 237.303 1.129 20 0 BDADLO Cc1[nH]c([C@@H]2CCCN2CC2=NOCC2)[nH+]c1C ZINC001197710520 982587417 /nfs/dbraw/zinc/58/74/17/982587417.db2.gz KHXAVOKVBPFOQI-LBPRGKRZSA-N 1 2 248.330 1.940 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc2cc[nH]c2cn1 ZINC001300124762 982594314 /nfs/dbraw/zinc/59/43/14/982594314.db2.gz NYTRBUVHMLGVSC-UHFFFAOYSA-N 1 2 241.254 1.398 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)NCCO2 ZINC001241473947 982629352 /nfs/dbraw/zinc/62/93/52/982629352.db2.gz IOUOAMRHRLSKAO-UHFFFAOYSA-N 1 2 215.256 1.891 20 0 BDADLO C=CS(=O)(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001198567588 982759088 /nfs/dbraw/zinc/75/90/88/982759088.db2.gz QISSDBJHQFENBF-UHFFFAOYSA-N 1 2 249.295 1.758 20 0 BDADLO C=CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001198567690 982759594 /nfs/dbraw/zinc/75/95/94/982759594.db2.gz SWVRICDAHBAXET-UHFFFAOYSA-N 1 2 249.295 1.758 20 0 BDADLO Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)n1C ZINC001353326313 982839563 /nfs/dbraw/zinc/83/95/63/982839563.db2.gz WVFLVLAHQSEKMD-UHFFFAOYSA-N 1 2 246.314 1.306 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(N)nc1C ZINC001241644188 982883733 /nfs/dbraw/zinc/88/37/33/982883733.db2.gz BTEUEOUJPYOKPN-UHFFFAOYSA-N 1 2 243.314 1.804 20 0 BDADLO CC1(C)C[NH+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC001590104526 982896067 /nfs/dbraw/zinc/89/60/67/982896067.db2.gz PTBKSGWIGUGPAV-UHFFFAOYSA-N 1 2 233.275 1.302 20 0 BDADLO O=C1C[N@H+](C/C=C/c2cccc(F)c2)CCCN1 ZINC001353581439 982896334 /nfs/dbraw/zinc/89/63/34/982896334.db2.gz LTUYQHSEJVHABD-GORDUTHDSA-N 1 2 248.301 1.661 20 0 BDADLO O=C1C[N@@H+](C/C=C/c2cccc(F)c2)CCCN1 ZINC001353581439 982896337 /nfs/dbraw/zinc/89/63/37/982896337.db2.gz LTUYQHSEJVHABD-GORDUTHDSA-N 1 2 248.301 1.661 20 0 BDADLO CC(C)n1ccnc1C(=O)NCCn1cc[nH+]c1 ZINC001199413606 982929391 /nfs/dbraw/zinc/92/93/91/982929391.db2.gz UGFRUBZNMKQKCJ-UHFFFAOYSA-N 1 2 247.302 1.091 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)[nH]n1 ZINC001200400836 982949754 /nfs/dbraw/zinc/94/97/54/982949754.db2.gz OEMMOFORWLVLTB-AWEZNQCLSA-N 1 2 243.310 1.813 20 0 BDADLO O=C(C1=CC=CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC001199692653 982968321 /nfs/dbraw/zinc/96/83/21/982968321.db2.gz IFXIRRWHHUSFHO-UHFFFAOYSA-N 1 2 243.310 1.933 20 0 BDADLO CC(C)c1oncc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001353788516 983005246 /nfs/dbraw/zinc/00/52/46/983005246.db2.gz JSXBEEBJZOXQLJ-SNVBAGLBSA-N 1 2 237.303 1.831 20 0 BDADLO CC(C)c1oncc1NC(=O)[C@H]1CCC[N@H+]1C ZINC001353788516 983005259 /nfs/dbraw/zinc/00/52/59/983005259.db2.gz JSXBEEBJZOXQLJ-SNVBAGLBSA-N 1 2 237.303 1.831 20 0 BDADLO CC(=O)C1(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001354057029 983128550 /nfs/dbraw/zinc/12/85/50/983128550.db2.gz BYAOFOCXYFIHNZ-UHFFFAOYSA-N 1 2 249.314 1.164 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@H](C(N)=O)C2)[nH+]1 ZINC001354062784 983130315 /nfs/dbraw/zinc/13/03/15/983130315.db2.gz YJNNWKJPDDTPLB-SECBINFHSA-N 1 2 237.278 1.231 20 0 BDADLO Cc1cc(F)cc(N2CCC(O)CC2)[nH+]1 ZINC001354062577 983130665 /nfs/dbraw/zinc/13/06/65/983130665.db2.gz XARQUIAKTVYSAY-UHFFFAOYSA-N 1 2 210.252 1.490 20 0 BDADLO CCc1ccccc1NC(=S)NC1C[NH+](C)C1 ZINC001201152413 983139160 /nfs/dbraw/zinc/13/91/60/983139160.db2.gz KRWYTRUFHZKGIA-UHFFFAOYSA-N 1 2 249.383 1.849 20 0 BDADLO COc1ccc(-c2ccc(N)[nH+]c2)cc1CO ZINC001241929503 983143786 /nfs/dbraw/zinc/14/37/86/983143786.db2.gz LBPXERXHFIHWAW-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO Nc1ccc(Nc2ccccc2CO)c[nH+]1 ZINC001201284699 983156592 /nfs/dbraw/zinc/15/65/92/983156592.db2.gz WHQHCUGWRVGQEZ-UHFFFAOYSA-N 1 2 215.256 1.900 20 0 BDADLO Nc1ccc(Nc2cnc3ccnn3c2)c[nH+]1 ZINC001201279663 983158423 /nfs/dbraw/zinc/15/84/23/983158423.db2.gz YJOULSIPECTSHT-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO c1cn(CCCNc2cncnc2)c[nH+]1 ZINC000082713360 983158796 /nfs/dbraw/zinc/15/87/96/983158796.db2.gz OBQBIRBHYIPQMP-UHFFFAOYSA-N 1 2 203.249 1.175 20 0 BDADLO Cc1cccc(C(N)=O)c1Nc1ccc(N)[nH+]c1 ZINC001201292132 983168591 /nfs/dbraw/zinc/16/85/91/983168591.db2.gz KDFDBFBSAHKJTA-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO COc1ccc(CO)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201291084 983168656 /nfs/dbraw/zinc/16/86/56/983168656.db2.gz AGEYKSISWXMKKS-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO COc1nccc(Nc2ccc(N)[nH+]c2)n1 ZINC001201272095 983171228 /nfs/dbraw/zinc/17/12/28/983171228.db2.gz IUMSFJSGOLVMLY-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO COC(=O)c1cccc(Nc2ccc(N)[nH+]c2)n1 ZINC001201272561 983172881 /nfs/dbraw/zinc/17/28/81/983172881.db2.gz PRJYUJGAWBLJMT-UHFFFAOYSA-N 1 2 244.254 1.589 20 0 BDADLO Cc1nccc(Nc2ccc(N)[nH+]c2)n1 ZINC001201272706 983173385 /nfs/dbraw/zinc/17/33/85/983173385.db2.gz SZOFLNZOUCVFHC-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO Nc1ccc(Nc2ncccc2O)c[nH+]1 ZINC001201272058 983174408 /nfs/dbraw/zinc/17/44/08/983174408.db2.gz HASYEWUUNUWYBE-UHFFFAOYSA-N 1 2 202.217 1.508 20 0 BDADLO Nc1ccc(Nc2cnc3c(c2)CC(=O)N3)c[nH+]1 ZINC001201278135 983176033 /nfs/dbraw/zinc/17/60/33/983176033.db2.gz BFLLRVWWBBOOOL-UHFFFAOYSA-N 1 2 241.254 1.297 20 0 BDADLO Nc1ccc(Nc2noc3nccnc23)c[nH+]1 ZINC001201275942 983176155 /nfs/dbraw/zinc/17/61/55/983176155.db2.gz NJBNTRMAWNKTIU-UHFFFAOYSA-N 1 2 228.215 1.339 20 0 BDADLO Cc1c(Nc2ccc(N)[nH+]c2)cnn1C ZINC001201273036 983177198 /nfs/dbraw/zinc/17/71/98/983177198.db2.gz ZLRGOWWSKPQFAQ-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO Cn1ncc(Cl)c1Nc1ccc(N)[nH+]c1 ZINC001201278788 983178524 /nfs/dbraw/zinc/17/85/24/983178524.db2.gz NZSHTPRDOFKYHA-UHFFFAOYSA-N 1 2 223.667 1.794 20 0 BDADLO CCc1cc(Nc2ccc(N)[nH+]c2)on1 ZINC001201278377 983178599 /nfs/dbraw/zinc/17/85/99/983178599.db2.gz INVFWORHXDQTFU-UHFFFAOYSA-N 1 2 204.233 1.958 20 0 BDADLO CSc1cc(Nc2ccc(N)[nH+]c2)nn1C ZINC001201278732 983178704 /nfs/dbraw/zinc/17/87/04/983178704.db2.gz LZTIMEVCUNFEMQ-UHFFFAOYSA-N 1 2 235.316 1.863 20 0 BDADLO CN(C)c1ncc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201278538 983179424 /nfs/dbraw/zinc/17/94/24/983179424.db2.gz KPOSHVGEAFOYFK-UHFFFAOYSA-N 1 2 230.275 1.263 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CC=CCC1 ZINC001201409220 983198538 /nfs/dbraw/zinc/19/85/38/983198538.db2.gz POSKNJMEDAVSPG-SRVKXCTJSA-N 1 2 241.306 1.928 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CC=CCC1 ZINC001201409220 983198545 /nfs/dbraw/zinc/19/85/45/983198545.db2.gz POSKNJMEDAVSPG-SRVKXCTJSA-N 1 2 241.306 1.928 20 0 BDADLO CON(C)C(=O)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242014942 983210860 /nfs/dbraw/zinc/21/08/60/983210860.db2.gz XIGWJQDYNUIMTF-UHFFFAOYSA-N 1 2 245.282 1.639 20 0 BDADLO OCC1(F)C[NH+](CC2CCCCC2)C1 ZINC001201390867 983211622 /nfs/dbraw/zinc/21/16/22/983211622.db2.gz PTGDHNZVGCPZOK-UHFFFAOYSA-N 1 2 201.285 1.583 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(CC(=O)[O-])C1 ZINC001592931033 983217445 /nfs/dbraw/zinc/21/74/45/983217445.db2.gz RDSSMCFNWMYWFD-KPPDAEKUSA-N 1 2 237.303 1.115 20 0 BDADLO c1nc(C[NH2+]Cc2ccc3nonc3c2)c[nH]1 ZINC001203968668 983217522 /nfs/dbraw/zinc/21/75/22/983217522.db2.gz OWZDETXLFOIQRC-UHFFFAOYSA-N 1 2 229.243 1.236 20 0 BDADLO COC(=O)Cc1cc(-c2[nH]cc[nH+]2)ccc1OC ZINC001242020392 983228592 /nfs/dbraw/zinc/22/85/92/983228592.db2.gz UWFFGEMKGUXKME-UHFFFAOYSA-N 1 2 246.266 1.801 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CC(C)C ZINC001201468896 983237205 /nfs/dbraw/zinc/23/72/05/983237205.db2.gz ODYQWLFYNLJNIL-BDAKNGLRSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CC(C)C ZINC001201468896 983237215 /nfs/dbraw/zinc/23/72/15/983237215.db2.gz ODYQWLFYNLJNIL-BDAKNGLRSA-N 1 2 203.257 1.228 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2[nH]ccc21 ZINC001242068362 983296522 /nfs/dbraw/zinc/29/65/22/983296522.db2.gz NWDYJALLFMKSHW-UHFFFAOYSA-N 1 2 225.255 1.862 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccnc1N(C)C ZINC001242071290 983306110 /nfs/dbraw/zinc/30/61/10/983306110.db2.gz YXIPNNVQZNDTFX-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO CCc1ccc(-c2c[nH+]c(N)cc2C)nn1 ZINC001242072794 983309540 /nfs/dbraw/zinc/30/95/40/983309540.db2.gz QCXZDDOVYSBKJY-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO Cc1nc(-c2c[nH+]c(N)cc2C)nc(N(C)C)n1 ZINC001242072615 983310741 /nfs/dbraw/zinc/31/07/41/983310741.db2.gz OJYGONBYNNDGKO-UHFFFAOYSA-N 1 2 244.302 1.199 20 0 BDADLO CCC[C@H](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC001354608544 983334241 /nfs/dbraw/zinc/33/42/41/983334241.db2.gz XGCZUZFPOLXVLT-IUCAKERBSA-N 1 2 236.306 1.911 20 0 BDADLO CCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201704375 983416869 /nfs/dbraw/zinc/41/68/69/983416869.db2.gz PNKLXCVLYBUGLZ-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201704375 983416870 /nfs/dbraw/zinc/41/68/70/983416870.db2.gz PNKLXCVLYBUGLZ-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2c(Cl)c(C)nn2C)C1 ZINC001355224362 983450669 /nfs/dbraw/zinc/45/06/69/983450669.db2.gz YNSXYLSEUCUUEA-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2c(Cl)c(C)nn2C)C1 ZINC001355224362 983450675 /nfs/dbraw/zinc/45/06/75/983450675.db2.gz YNSXYLSEUCUUEA-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO C[C@H](O)[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001355253971 983451971 /nfs/dbraw/zinc/45/19/71/983451971.db2.gz CSZYSAUZTOAHTO-QWRGUYRKSA-N 1 2 246.314 1.327 20 0 BDADLO CN(C)c1cc(NC/C=C/C2CC2)[nH+]cn1 ZINC001355283105 983461864 /nfs/dbraw/zinc/46/18/64/983461864.db2.gz GGLHEIZFGXZIEB-ONEGZZNKSA-N 1 2 218.304 1.921 20 0 BDADLO CN(C)c1cc(NC/C=C/C2CC2)nc[nH+]1 ZINC001355283105 983461869 /nfs/dbraw/zinc/46/18/69/983461869.db2.gz GGLHEIZFGXZIEB-ONEGZZNKSA-N 1 2 218.304 1.921 20 0 BDADLO CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202306960 983613516 /nfs/dbraw/zinc/61/35/16/983613516.db2.gz DNQQEBTUMQCIJM-NKWVEPMBSA-N 1 2 215.190 1.608 20 0 BDADLO CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202306960 983613539 /nfs/dbraw/zinc/61/35/39/983613539.db2.gz DNQQEBTUMQCIJM-NKWVEPMBSA-N 1 2 215.190 1.608 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(C)cnn1C ZINC001202387922 983634569 /nfs/dbraw/zinc/63/45/69/983634569.db2.gz MQADQRZMSRYFSY-LLVKDONJSA-N 1 2 247.346 1.796 20 0 BDADLO O=C1CCC[N@@H+](C[C@@H]2CCOC2)C[C@@H]1F ZINC001202463683 983673043 /nfs/dbraw/zinc/67/30/43/983673043.db2.gz CPLVCVQVDZUZBY-UWVGGRQHSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[N@H+](C[C@@H]2CCOC2)C[C@@H]1F ZINC001202463683 983673049 /nfs/dbraw/zinc/67/30/49/983673049.db2.gz CPLVCVQVDZUZBY-UWVGGRQHSA-N 1 2 215.268 1.026 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)CC1(C)CC1 ZINC001488643764 983686576 /nfs/dbraw/zinc/68/65/76/983686576.db2.gz LECPPURLIDIPNX-NSHDSACASA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)CC1(C)CC1 ZINC001488643764 983686581 /nfs/dbraw/zinc/68/65/81/983686581.db2.gz LECPPURLIDIPNX-NSHDSACASA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H](C[N@H+](C)CN1CCC1=O)c1nccs1 ZINC000857234181 983798633 /nfs/dbraw/zinc/79/86/33/983798633.db2.gz NITLCNALTRNMML-SECBINFHSA-N 1 2 239.344 1.368 20 0 BDADLO C[C@H](C[N@@H+](C)CN1CCC1=O)c1nccs1 ZINC000857234181 983798637 /nfs/dbraw/zinc/79/86/37/983798637.db2.gz NITLCNALTRNMML-SECBINFHSA-N 1 2 239.344 1.368 20 0 BDADLO Cc1cnc(F)c(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001273973647 983874790 /nfs/dbraw/zinc/87/47/90/983874790.db2.gz GWHVKIUXTSDUHY-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1cnc(F)c(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001273973647 983874794 /nfs/dbraw/zinc/87/47/94/983874794.db2.gz GWHVKIUXTSDUHY-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001559665917 983927252 /nfs/dbraw/zinc/92/72/52/983927252.db2.gz ULMOTHWKVSOTCD-AEJSXWLSSA-N 1 2 247.285 1.915 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001559665917 983927268 /nfs/dbraw/zinc/92/72/68/983927268.db2.gz ULMOTHWKVSOTCD-AEJSXWLSSA-N 1 2 247.285 1.915 20 0 BDADLO Cc1csc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC001137151917 983978789 /nfs/dbraw/zinc/97/87/89/983978789.db2.gz DEZGIGYZHIVVCQ-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO Cc1csc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC001137151917 983978803 /nfs/dbraw/zinc/97/88/03/983978803.db2.gz DEZGIGYZHIVVCQ-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO O=c1[nH]cc(-c2c[nH+]c3c(c2)CCCN3)cc1F ZINC001242616940 984001604 /nfs/dbraw/zinc/00/16/04/984001604.db2.gz DYYWRJSFDOWGKQ-UHFFFAOYSA-N 1 2 245.257 1.989 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC[C@H]1F ZINC001137162833 984009578 /nfs/dbraw/zinc/00/95/78/984009578.db2.gz LFRPQSFIJAPQSG-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@H]1F ZINC001137162833 984009590 /nfs/dbraw/zinc/00/95/90/984009590.db2.gz LFRPQSFIJAPQSG-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO CCCNC(=O)NCc1c[nH+]cn1C(C)C ZINC001202603944 984113328 /nfs/dbraw/zinc/11/33/28/984113328.db2.gz LUNOVRGRLYZMMJ-UHFFFAOYSA-N 1 2 224.308 1.673 20 0 BDADLO CC1(F)C[NH+](CCC2CCOCC2)C1 ZINC001202622209 984132402 /nfs/dbraw/zinc/13/24/02/984132402.db2.gz ZAQWBBLMMBYASH-UHFFFAOYSA-N 1 2 201.285 1.847 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2nccs2)cc1 ZINC001242897981 984257811 /nfs/dbraw/zinc/25/78/11/984257811.db2.gz OCXBGINJYGLTFW-JTQLQIEISA-N 1 2 248.307 1.983 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC001274162201 984274229 /nfs/dbraw/zinc/27/42/29/984274229.db2.gz OHWHMLMOLITXOT-OCAPTIKFSA-N 1 2 240.690 1.462 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC001274162201 984274237 /nfs/dbraw/zinc/27/42/37/984274237.db2.gz OHWHMLMOLITXOT-OCAPTIKFSA-N 1 2 240.690 1.462 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000380051043 984308787 /nfs/dbraw/zinc/30/87/87/984308787.db2.gz WYIMQLGWMJSNNB-ZJUUUORDSA-N 1 2 207.277 1.188 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000389344770 984331545 /nfs/dbraw/zinc/33/15/45/984331545.db2.gz TYEZLUTWZWMREL-NKWVEPMBSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000389344770 984331554 /nfs/dbraw/zinc/33/15/54/984331554.db2.gz TYEZLUTWZWMREL-NKWVEPMBSA-N 1 2 225.210 1.432 20 0 BDADLO Cc1ccc(C)c(C(=O)N2CC3(CC[N@H+]3C)C2)n1 ZINC001274395199 984340841 /nfs/dbraw/zinc/34/08/41/984340841.db2.gz FOGJQOFMSCCROC-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1ccc(C)c(C(=O)N2CC3(CC[N@@H+]3C)C2)n1 ZINC001274395199 984340855 /nfs/dbraw/zinc/34/08/55/984340855.db2.gz FOGJQOFMSCCROC-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO OCc1cncc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001242972779 984343098 /nfs/dbraw/zinc/34/30/98/984343098.db2.gz FDUSICAMKLLWLG-UHFFFAOYSA-N 1 2 241.294 1.637 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)nnn2C ZINC001243067767 984485890 /nfs/dbraw/zinc/48/58/90/984485890.db2.gz PKACLXCQKAEOFG-UHFFFAOYSA-N 1 2 213.244 1.369 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(c1)OCCO2 ZINC001243068556 984489003 /nfs/dbraw/zinc/48/90/03/984489003.db2.gz DLOSRWRORTVPPT-UHFFFAOYSA-N 1 2 217.228 1.253 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(CCC(N)=O)c1 ZINC001243069988 984492837 /nfs/dbraw/zinc/49/28/37/984492837.db2.gz DDOWSIMHWFHMKC-UHFFFAOYSA-N 1 2 229.283 1.505 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(N)noc2c1 ZINC001243071483 984499756 /nfs/dbraw/zinc/49/97/56/984499756.db2.gz UCFXSDRUSLGITM-UHFFFAOYSA-N 1 2 214.228 1.811 20 0 BDADLO COC(=O)c1cc(OC)cc(-c2c[nH+]cn2C)c1 ZINC001243071368 984500032 /nfs/dbraw/zinc/50/00/32/984500032.db2.gz QUHAUONNGOIPLB-UHFFFAOYSA-N 1 2 246.266 1.882 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2nc(C(N)=O)oc2c1 ZINC001243072460 984503181 /nfs/dbraw/zinc/50/31/81/984503181.db2.gz PNIPADFAEMGMFD-UHFFFAOYSA-N 1 2 242.238 1.327 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccsc1 ZINC001444634591 984571478 /nfs/dbraw/zinc/57/14/78/984571478.db2.gz JYECELWKJJKHEU-UHFFFAOYSA-N 1 2 207.258 1.652 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC2(CCC2)C1 ZINC001445867862 984619077 /nfs/dbraw/zinc/61/90/77/984619077.db2.gz WAPIRULIGOJIBK-UHFFFAOYSA-N 1 2 233.315 1.365 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCc1ccc(O)cc1 ZINC001445944862 984623673 /nfs/dbraw/zinc/62/36/73/984623673.db2.gz HCYYIBAKDMBCIC-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO COc1ccc(C[NH+]2CC3(CCN3C)C2)cc1N ZINC001276154661 984820164 /nfs/dbraw/zinc/82/01/64/984820164.db2.gz AAVSCVNYDVQDAQ-UHFFFAOYSA-N 1 2 247.342 1.167 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cccnc1N1CCOCC1 ZINC001243464608 984974881 /nfs/dbraw/zinc/97/48/81/984974881.db2.gz PJPKTAZXPFHGKJ-ODTJTBHOSA-N 1 2 245.326 1.794 20 0 BDADLO Nc1cn2ccc(-c3ccc(CO)nc3)cc2[nH+]1 ZINC001243467198 984992183 /nfs/dbraw/zinc/99/21/83/984992183.db2.gz MLADQBXVECSQPJ-UHFFFAOYSA-N 1 2 240.266 1.471 20 0 BDADLO COc1ccc(-c2ccc[nH+]c2N)c(N)c1 ZINC001243473092 985019809 /nfs/dbraw/zinc/01/98/09/985019809.db2.gz FUQVIFCVJLJSGA-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2[nH]cnc2c1 ZINC001243473464 985021296 /nfs/dbraw/zinc/02/12/96/985021296.db2.gz BCRBYRGOSFMANY-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2nccn2c1 ZINC001243474306 985021663 /nfs/dbraw/zinc/02/16/63/985021663.db2.gz KIMFHICGNFGVOY-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cc1ccnc(C[N@H+](CCCO)C2CC2)n1 ZINC000685986410 985022898 /nfs/dbraw/zinc/02/28/98/985022898.db2.gz WAJFMZXGFXDKDH-UHFFFAOYSA-N 1 2 221.304 1.132 20 0 BDADLO Cc1ccnc(C[N@@H+](CCCO)C2CC2)n1 ZINC000685986410 985022901 /nfs/dbraw/zinc/02/29/01/985022901.db2.gz WAJFMZXGFXDKDH-UHFFFAOYSA-N 1 2 221.304 1.132 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(-n2ccnc2)nc1 ZINC001243474454 985024115 /nfs/dbraw/zinc/02/41/15/985024115.db2.gz XEJRSCYJQTXLDO-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO CCc1ncc(-c2ccc[nH+]c2N)cn1 ZINC001243474041 985026640 /nfs/dbraw/zinc/02/66/40/985026640.db2.gz IGERFCHOLNCXTG-UHFFFAOYSA-N 1 2 200.245 1.683 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1CCNC2=O ZINC001243475388 985032147 /nfs/dbraw/zinc/03/21/47/985032147.db2.gz GLOJFPODVJTHDH-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO CC(C)c1cnc(C[N@H+](C)CCOCCO)o1 ZINC000685994717 985033384 /nfs/dbraw/zinc/03/33/84/985033384.db2.gz MVRJPVOVCXPJBZ-UHFFFAOYSA-N 1 2 242.319 1.239 20 0 BDADLO CC(C)c1cnc(C[N@@H+](C)CCOCCO)o1 ZINC000685994717 985033400 /nfs/dbraw/zinc/03/34/00/985033400.db2.gz MVRJPVOVCXPJBZ-UHFFFAOYSA-N 1 2 242.319 1.239 20 0 BDADLO COCCn1cc(-c2ccc[nH+]c2N)ccc1=O ZINC001243477458 985034793 /nfs/dbraw/zinc/03/47/93/985034793.db2.gz PJBQPOBYZAJHFO-UHFFFAOYSA-N 1 2 245.282 1.139 20 0 BDADLO Cc1cc(-c2ccc[nH+]c2N)cnc1C(N)=O ZINC001243477909 985037956 /nfs/dbraw/zinc/03/79/56/985037956.db2.gz RJVMCHSYHWCZNJ-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO COC(=O)c1cnccc1-c1ccc[nH+]c1N ZINC001243477151 985038210 /nfs/dbraw/zinc/03/82/10/985038210.db2.gz JMLYFNUMMVNMTA-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO CCc1[nH]c(CNC(=O)C2(C)CCC2)c[nH+]1 ZINC001456143873 985119556 /nfs/dbraw/zinc/11/95/56/985119556.db2.gz UHXUPTLUUGWZHT-UHFFFAOYSA-N 1 2 221.304 1.779 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2(C)CCC2)[nH+]1 ZINC001456143873 985119566 /nfs/dbraw/zinc/11/95/66/985119566.db2.gz UHXUPTLUUGWZHT-UHFFFAOYSA-N 1 2 221.304 1.779 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(F)(F)F ZINC001457425326 985216600 /nfs/dbraw/zinc/21/66/00/985216600.db2.gz XRUQKGNLVPPKEY-JGVFFNPUSA-N 1 2 249.236 1.901 20 0 BDADLO CNc1cc(N2C[C@H](OC)CC[C@H]2C)nc[nH+]1 ZINC000687215805 985271562 /nfs/dbraw/zinc/27/15/62/985271562.db2.gz DSPCOAUXJURQTL-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2C[C@H](OC)CC[C@H]2C)[nH+]cn1 ZINC000687215805 985271580 /nfs/dbraw/zinc/27/15/80/985271580.db2.gz DSPCOAUXJURQTL-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO Cc1cc(-c2cccc(=O)[nH]2)c[nH+]c1N ZINC001243737599 985276020 /nfs/dbraw/zinc/27/60/20/985276020.db2.gz KBWPKVIPWVOCBW-UHFFFAOYSA-N 1 2 201.229 1.740 20 0 BDADLO Cc1cc(-c2cnc(N)nc2)cn2cc[nH+]c12 ZINC001243876556 985548949 /nfs/dbraw/zinc/54/89/49/985548949.db2.gz SQKWNOFWTWZRBJ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CC[N@H+](C)[C@@H](COC1CCC1)C(=O)OC ZINC001459773859 985599606 /nfs/dbraw/zinc/59/96/06/985599606.db2.gz SQXXAHBLXYOTAT-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+](C)[C@@H](COC1CCC1)C(=O)OC ZINC001459773859 985599616 /nfs/dbraw/zinc/59/96/16/985599616.db2.gz SQXXAHBLXYOTAT-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)c1cc(C)nc(C2=C[NH2+]CCC2)c1 ZINC001243947558 985621418 /nfs/dbraw/zinc/62/14/18/985621418.db2.gz LHSGDBFVRXQJLO-UHFFFAOYSA-N 1 2 232.283 1.901 20 0 BDADLO CC(=O)Nc1nc(C)cc(C2=C[NH2+]CCC2)n1 ZINC001243948761 985630692 /nfs/dbraw/zinc/63/06/92/985630692.db2.gz LAHJWTTYJPRXHD-UHFFFAOYSA-N 1 2 232.287 1.468 20 0 BDADLO CC(C)Oc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243949855 985641550 /nfs/dbraw/zinc/64/15/50/985641550.db2.gz RWGQDVNCWIRVHU-UHFFFAOYSA-N 1 2 219.288 1.988 20 0 BDADLO Cc1noc2ncnc(C3=C[NH2+]CCC3)c12 ZINC001243949936 985642219 /nfs/dbraw/zinc/64/22/19/985642219.db2.gz ZTRLOFNIVGYHMO-UHFFFAOYSA-N 1 2 216.244 1.651 20 0 BDADLO Cn1cc(C2=C[NH2+]CCC2)c2cc[nH]c2c1=O ZINC001243951686 985658133 /nfs/dbraw/zinc/65/81/33/985658133.db2.gz KYSCZHPCRKCCIG-UHFFFAOYSA-N 1 2 229.283 1.591 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCc2cncs2)no1 ZINC001459908360 985659289 /nfs/dbraw/zinc/65/92/89/985659289.db2.gz AKRNAMUOWTWRFJ-ZETCQYMHSA-N 1 2 238.316 1.728 20 0 BDADLO CC(C)n1cc(C2=C[NH2+]CCC2)cnc1=O ZINC001243952850 985663770 /nfs/dbraw/zinc/66/37/70/985663770.db2.gz WJMMTXCCUASGNF-UHFFFAOYSA-N 1 2 219.288 1.549 20 0 BDADLO CCC(=O)CCC[N@@H+](CC)CCS(C)(=O)=O ZINC000688544282 985676598 /nfs/dbraw/zinc/67/65/98/985676598.db2.gz RRPLUJDKVLPQOG-UHFFFAOYSA-N 1 2 249.376 1.112 20 0 BDADLO CCC(=O)CCC[N@H+](CC)CCS(C)(=O)=O ZINC000688544282 985676609 /nfs/dbraw/zinc/67/66/09/985676609.db2.gz RRPLUJDKVLPQOG-UHFFFAOYSA-N 1 2 249.376 1.112 20 0 BDADLO Oc1c(F)cc(-c2ncc3c(n2)C[NH2+]C3)cc1F ZINC001244094344 985807068 /nfs/dbraw/zinc/80/70/68/985807068.db2.gz PMYDXHZONPUDLF-UHFFFAOYSA-N 1 2 249.220 1.731 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2[nH]c(=O)ccc2c1 ZINC001244239259 985894526 /nfs/dbraw/zinc/89/45/26/985894526.db2.gz RIFKAPDYZJHUOE-UHFFFAOYSA-N 1 2 225.251 1.929 20 0 BDADLO c1cn(-c2ccc(CNn3cnnc3)cc2)c[nH+]1 ZINC001461793469 986142918 /nfs/dbraw/zinc/14/29/18/986142918.db2.gz FTAVYLKVHXEQHB-UHFFFAOYSA-N 1 2 240.270 1.208 20 0 BDADLO Cc1cc(=O)[nH]cc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001579638329 986161966 /nfs/dbraw/zinc/16/19/66/986161966.db2.gz XCRYFVIMJFGOKH-ZCFIWIBFSA-N 1 2 245.229 1.017 20 0 BDADLO O=C1C[N@H+](CC2CCC2)CCN1c1ccccn1 ZINC001202793183 986311307 /nfs/dbraw/zinc/31/13/07/986311307.db2.gz SVOSANWNJUSDKF-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO O=C1C[N@@H+](CC2CCC2)CCN1c1ccccn1 ZINC001202793183 986311314 /nfs/dbraw/zinc/31/13/14/986311314.db2.gz SVOSANWNJUSDKF-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO CC(C)(O)CC[NH+]1CCN(CC2CCC2)CC1 ZINC001202791720 986312813 /nfs/dbraw/zinc/31/28/13/986312813.db2.gz FERWNGBDXIHYEX-UHFFFAOYSA-N 1 2 240.391 1.565 20 0 BDADLO CCN1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001462274299 986335962 /nfs/dbraw/zinc/33/59/62/986335962.db2.gz NNSIKSZXXHTGTL-LLVKDONJSA-N 1 2 249.362 1.256 20 0 BDADLO CC(=O)NC[C@H]1C[N@H+](CCF)CCC1(F)F ZINC001046903224 986355785 /nfs/dbraw/zinc/35/57/85/986355785.db2.gz ACOGATYOPLZCTM-VIFPVBQESA-N 1 2 238.253 1.049 20 0 BDADLO CC(=O)NC[C@H]1C[N@@H+](CCF)CCC1(F)F ZINC001046903224 986355797 /nfs/dbraw/zinc/35/57/97/986355797.db2.gz ACOGATYOPLZCTM-VIFPVBQESA-N 1 2 238.253 1.049 20 0 BDADLO CCCNC(=S)Nc1cc[nH+]cc1C ZINC001244832879 986374584 /nfs/dbraw/zinc/37/45/84/986374584.db2.gz ZCRRZESHEDITEN-UHFFFAOYSA-N 1 2 209.318 1.508 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113886 986535742 /nfs/dbraw/zinc/53/57/42/986535742.db2.gz DKJBQXKQUIODSD-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113886 986535758 /nfs/dbraw/zinc/53/57/58/986535758.db2.gz DKJBQXKQUIODSD-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CNc1cc(-c2cc(C)c(=O)n(C)c2)cc[nH+]1 ZINC001244975990 986561237 /nfs/dbraw/zinc/56/12/37/986561237.db2.gz MAHNBCQSFOSUSJ-UHFFFAOYSA-N 1 2 229.283 1.797 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCc1ccsc1 ZINC001464181087 986613034 /nfs/dbraw/zinc/61/30/34/986613034.db2.gz YYJUDFVGNPXAAH-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO Cc1c(CN2C[C@@H](O)[C@@H](F)C2)[nH+]c2ccccn12 ZINC001137268557 986706188 /nfs/dbraw/zinc/70/61/88/986706188.db2.gz XAKMKTLCTKWMHH-CMPLNLGQSA-N 1 2 249.289 1.157 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001465527877 986727355 /nfs/dbraw/zinc/72/73/55/986727355.db2.gz FAHMUWOFORTUMG-ONGXEEELSA-N 1 2 235.331 1.908 20 0 BDADLO COc1cc[nH+]cc1C1=CCS(=O)(=O)CC1 ZINC001245209477 986728342 /nfs/dbraw/zinc/72/83/42/986728342.db2.gz ZWYGHFQNFGANQR-UHFFFAOYSA-N 1 2 239.296 1.292 20 0 BDADLO Cc1cncc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001465610789 986730503 /nfs/dbraw/zinc/73/05/03/986730503.db2.gz LRUZJUZNDRMJRA-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO Cc1cc(C)c(C[NH+]2CC(N3CC(F)C3)C2)[nH]1 ZINC001137321516 986759339 /nfs/dbraw/zinc/75/93/39/986759339.db2.gz PEWLBACDJSOGBY-UHFFFAOYSA-N 1 2 237.322 1.469 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001466033441 986768190 /nfs/dbraw/zinc/76/81/90/986768190.db2.gz AFBZFKOTPRBXFL-ZDUSSCGKSA-N 1 2 235.331 1.909 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(F)nc1 ZINC001137323505 986773740 /nfs/dbraw/zinc/77/37/40/986773740.db2.gz PULKNKKIYIRYQI-UHFFFAOYSA-N 1 2 234.234 1.433 20 0 BDADLO Cc1cc(C)c(C[NH+]2CC(N(C)C3COC3)C2)[nH]1 ZINC001137329734 986784103 /nfs/dbraw/zinc/78/41/03/986784103.db2.gz MONTUHOBSVNVIK-UHFFFAOYSA-N 1 2 249.358 1.146 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)[nH]1 ZINC001137329845 986787445 /nfs/dbraw/zinc/78/74/45/986787445.db2.gz RKXAGKJRBPHOIN-GFCCVEGCSA-N 1 2 247.342 1.438 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)[nH]1 ZINC001137329845 986787459 /nfs/dbraw/zinc/78/74/59/986787459.db2.gz RKXAGKJRBPHOIN-GFCCVEGCSA-N 1 2 247.342 1.438 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC(=O)N(C)C[C@@H]2C)[nH]1 ZINC001137331254 986789250 /nfs/dbraw/zinc/78/92/50/986789250.db2.gz WYXITIIRYIBZGN-NSHDSACASA-N 1 2 235.331 1.294 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)[nH]1 ZINC001137331254 986789261 /nfs/dbraw/zinc/78/92/61/986789261.db2.gz WYXITIIRYIBZGN-NSHDSACASA-N 1 2 235.331 1.294 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cc[nH]n2)cc1 ZINC001245311803 986797830 /nfs/dbraw/zinc/79/78/30/986797830.db2.gz RKGPDNNOMLBRFA-LLVKDONJSA-N 1 2 231.255 1.250 20 0 BDADLO CCN(Cc1n[nH]c2ccccc21)C1C[NH+](C)C1 ZINC001137351998 986817878 /nfs/dbraw/zinc/81/78/78/986817878.db2.gz NWXYATHKOUIKCU-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO CC[N@H+](Cc1[nH]nc2ccccc21)C1CN(C)C1 ZINC001137351998 986817886 /nfs/dbraw/zinc/81/78/86/986817886.db2.gz NWXYATHKOUIKCU-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO CC[N@@H+](Cc1[nH]nc2ccccc21)C1CN(C)C1 ZINC001137351998 986817888 /nfs/dbraw/zinc/81/78/88/986817888.db2.gz NWXYATHKOUIKCU-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@@H+]1CC[C@]12CCOC2 ZINC001137352073 986819519 /nfs/dbraw/zinc/81/95/19/986819519.db2.gz POZOWHUNGSFPLK-CQSZACIVSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@]12CCOC2 ZINC001137352073 986819523 /nfs/dbraw/zinc/81/95/23/986819523.db2.gz POZOWHUNGSFPLK-CQSZACIVSA-N 1 2 243.310 1.928 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001467324882 986846506 /nfs/dbraw/zinc/84/65/06/986846506.db2.gz CQXIYUGUDUTCLS-BXKDBHETSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1ccc(-c2cnc3c(cnn3C)c2)[nH+]c1N ZINC001245471991 986864015 /nfs/dbraw/zinc/86/40/15/986864015.db2.gz RHHGDEIRUPDNHE-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1c[nH]c2ncccc12 ZINC001137397596 986875636 /nfs/dbraw/zinc/87/56/36/986875636.db2.gz NTLFEUAXSMBMHV-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1c[nH]c2ncccc12 ZINC001137397596 986875640 /nfs/dbraw/zinc/87/56/40/986875640.db2.gz NTLFEUAXSMBMHV-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO Nc1ncc(-c2cc[nH+]c3c2CCN3)cc1F ZINC001245522311 986904087 /nfs/dbraw/zinc/90/40/87/986904087.db2.gz PTTTVNQOLBLZCV-UHFFFAOYSA-N 1 2 230.246 1.833 20 0 BDADLO Cc1nc2c(-c3c[nH+]c(N)c(C)c3)cccn2n1 ZINC001245537445 986913028 /nfs/dbraw/zinc/91/30/28/986913028.db2.gz PWPRMVGILABGAE-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2ncccc2C(N)=O)c[nH+]c1N ZINC001245537166 986917448 /nfs/dbraw/zinc/91/74/48/986917448.db2.gz ZEUDGDDCDDXQPL-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1F ZINC001137471033 986917757 /nfs/dbraw/zinc/91/77/57/986917757.db2.gz USLUMFRWTAGDSX-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1F ZINC001137471033 986917769 /nfs/dbraw/zinc/91/77/69/986917769.db2.gz USLUMFRWTAGDSX-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1F ZINC001137471034 986918476 /nfs/dbraw/zinc/91/84/76/986918476.db2.gz USLUMFRWTAGDSX-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1F ZINC001137471034 986918486 /nfs/dbraw/zinc/91/84/86/986918486.db2.gz USLUMFRWTAGDSX-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO Cc1cc(-c2ccc3c(c2)nnn3C)c[nH+]c1N ZINC001245537314 986921158 /nfs/dbraw/zinc/92/11/58/986921158.db2.gz BNUNDYLHPLXHDX-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cnc(-c2c[nH+]c(N)c(C)c2)c(N)c1 ZINC001245537753 986921239 /nfs/dbraw/zinc/92/12/39/986921239.db2.gz HONXLHQSRFVDNV-UHFFFAOYSA-N 1 2 214.272 1.925 20 0 BDADLO Cc1cc(-c2ccc(C(N)=O)nc2C)c[nH+]c1N ZINC001245540160 986923754 /nfs/dbraw/zinc/92/37/54/986923754.db2.gz RXEDRDJUFGTKGZ-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO Cc1cc(-c2cncc(F)c2C(N)=O)c[nH+]c1N ZINC001245539746 986924963 /nfs/dbraw/zinc/92/49/63/986924963.db2.gz YDCNLLXGLUQBEH-UHFFFAOYSA-N 1 2 246.245 1.272 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)c1ccsc1 ZINC001469590646 986984848 /nfs/dbraw/zinc/98/48/48/986984848.db2.gz IZQVHLGBENQTMG-UHFFFAOYSA-N 1 2 221.285 1.677 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NOc1ccc(F)cc1 ZINC001469937680 987005819 /nfs/dbraw/zinc/00/58/19/987005819.db2.gz OAROGHZQAPYMPM-UHFFFAOYSA-N 1 2 249.245 1.592 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cncc(F)c1 ZINC001471793212 987126641 /nfs/dbraw/zinc/12/66/41/987126641.db2.gz IOSDEWIFBIWSFP-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cncc(F)c1 ZINC001471793212 987126665 /nfs/dbraw/zinc/12/66/65/987126665.db2.gz IOSDEWIFBIWSFP-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCc1[nH]c(CNC(=O)CCC(F)F)c[nH+]1 ZINC001472021539 987153976 /nfs/dbraw/zinc/15/39/76/987153976.db2.gz ZPYMLQQRSHKWGV-UHFFFAOYSA-N 1 2 231.246 1.634 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCC(F)F)[nH+]1 ZINC001472021539 987153984 /nfs/dbraw/zinc/15/39/84/987153984.db2.gz ZPYMLQQRSHKWGV-UHFFFAOYSA-N 1 2 231.246 1.634 20 0 BDADLO [NH3+]Cc1cc(=O)n(C2CCCCCC2)[nH]1 ZINC001245923292 987164942 /nfs/dbraw/zinc/16/49/42/987164942.db2.gz IKZIEMAPQQBDCB-UHFFFAOYSA-N 1 2 209.293 1.943 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2ccccc2Cl)[nH]1 ZINC001245924078 987166189 /nfs/dbraw/zinc/16/61/89/987166189.db2.gz MIFGPDRCNJZJDM-UHFFFAOYSA-N 1 2 237.690 1.749 20 0 BDADLO CCC(C)(C)n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245927244 987181454 /nfs/dbraw/zinc/18/14/54/987181454.db2.gz MVEAJTQYFBCOGP-UHFFFAOYSA-N 1 2 209.293 1.421 20 0 BDADLO Cc1ccc(C2=NN(CCC[NH3+])C(=O)C2)cn1 ZINC001245950504 987234478 /nfs/dbraw/zinc/23/44/78/987234478.db2.gz ZVNTYEIPSDKJDU-UHFFFAOYSA-N 1 2 232.287 1.308 20 0 BDADLO Cc1ccc(-c2cc(=O)n(CCC[NH3+])[nH]2)cn1 ZINC001245950504 987234487 /nfs/dbraw/zinc/23/44/87/987234487.db2.gz ZVNTYEIPSDKJDU-UHFFFAOYSA-N 1 2 232.287 1.308 20 0 BDADLO Cn1nccc1NC(=O)c1cccc2[nH+]ccn21 ZINC001442572142 987241331 /nfs/dbraw/zinc/24/13/31/987241331.db2.gz FCOJFBYHTHTQCM-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)on1 ZINC001472581023 987249707 /nfs/dbraw/zinc/24/97/07/987249707.db2.gz IANLZKTYITYQFC-JTQLQIEISA-N 1 2 249.314 1.292 20 0 BDADLO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)on1 ZINC001472581023 987249713 /nfs/dbraw/zinc/24/97/13/987249713.db2.gz IANLZKTYITYQFC-JTQLQIEISA-N 1 2 249.314 1.292 20 0 BDADLO OC[C@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000699663509 987377849 /nfs/dbraw/zinc/37/78/49/987377849.db2.gz KPSSRKJIWQIULE-JTQLQIEISA-N 1 2 224.279 1.820 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CC2(O)CCCCC2)no1 ZINC001473362434 987405143 /nfs/dbraw/zinc/40/51/43/987405143.db2.gz MLXKBKZSYGQJEU-VIFPVBQESA-N 1 2 239.319 1.724 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1noc(C)n1 ZINC001473367719 987406363 /nfs/dbraw/zinc/40/63/63/987406363.db2.gz AOIVFYAXFMQYJG-QWRGUYRKSA-N 1 2 239.319 1.988 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC001473542487 987474664 /nfs/dbraw/zinc/47/46/64/987474664.db2.gz URCDRMRJWSTMEU-MDZLAQPJSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC001473542487 987474670 /nfs/dbraw/zinc/47/46/70/987474670.db2.gz URCDRMRJWSTMEU-MDZLAQPJSA-N 1 2 236.315 1.224 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(C2CC2)[nH]1 ZINC001116254613 987493404 /nfs/dbraw/zinc/49/34/04/987493404.db2.gz APIGCOGHGRWWHC-UHFFFAOYSA-N 1 2 245.286 1.249 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001116395303 987551302 /nfs/dbraw/zinc/55/13/02/987551302.db2.gz BREKPMMCJTVNLF-VIFPVBQESA-N 1 2 246.270 1.038 20 0 BDADLO Cc1[nH]c(CN2C3CCC2(C(N)=O)CC3)[nH+]c1C ZINC001473848357 987578355 /nfs/dbraw/zinc/57/83/55/987578355.db2.gz QRYHOHRHAXJOMD-UHFFFAOYSA-N 1 2 248.330 1.009 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnon2)[C@H](C)CCO1 ZINC001473893484 987606894 /nfs/dbraw/zinc/60/68/94/987606894.db2.gz QQWVWKKSXBXCRZ-RKDXNWHRSA-N 1 2 211.265 1.069 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnon2)[C@H](C)CCO1 ZINC001473893484 987606897 /nfs/dbraw/zinc/60/68/97/987606897.db2.gz QQWVWKKSXBXCRZ-RKDXNWHRSA-N 1 2 211.265 1.069 20 0 BDADLO Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc(C)n1 ZINC001474213692 987662842 /nfs/dbraw/zinc/66/28/42/987662842.db2.gz ZBMCBQAZMUZUDP-CQSZACIVSA-N 1 2 233.359 1.882 20 0 BDADLO Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc(C)n1 ZINC001474213692 987662844 /nfs/dbraw/zinc/66/28/44/987662844.db2.gz ZBMCBQAZMUZUDP-CQSZACIVSA-N 1 2 233.359 1.882 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1nncn1C ZINC001116670676 987665369 /nfs/dbraw/zinc/66/53/69/987665369.db2.gz ULTQRNSEWHCRKF-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO O=C(NCC[NH+]1CCC1)c1ncc(Cl)s1 ZINC001116875100 987743271 /nfs/dbraw/zinc/74/32/71/987743271.db2.gz AUUPOSNZOXFQTA-UHFFFAOYSA-N 1 2 245.735 1.232 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2ccsc2)o1 ZINC001117260824 987813608 /nfs/dbraw/zinc/81/36/08/987813608.db2.gz XEZQAOMZHNVWGX-UHFFFAOYSA-N 1 2 237.328 1.978 20 0 BDADLO c1cn(Cc2nnc(C3CCCC3)o2)c[nH+]1 ZINC001117691444 987864278 /nfs/dbraw/zinc/86/42/78/987864278.db2.gz MTNBMZMJJYXTCE-UHFFFAOYSA-N 1 2 218.260 1.972 20 0 BDADLO CSc1cnc(N2CCn3c[nH+]cc3C2)nc1 ZINC001117689346 987864779 /nfs/dbraw/zinc/86/47/79/987864779.db2.gz UJXXPDUMYOFRBJ-UHFFFAOYSA-N 1 2 247.327 1.415 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1cccn1C1CC1 ZINC001117743896 987884758 /nfs/dbraw/zinc/88/47/58/987884758.db2.gz NHXYFFSWHNOJDX-UHFFFAOYSA-N 1 2 249.358 1.779 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1cccn1C1CC1 ZINC001117743896 987884762 /nfs/dbraw/zinc/88/47/62/987884762.db2.gz NHXYFFSWHNOJDX-UHFFFAOYSA-N 1 2 249.358 1.779 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001117807534 987930895 /nfs/dbraw/zinc/93/08/95/987930895.db2.gz WPNJKDCVJIFWOL-QJPTWQEYSA-N 1 2 235.331 1.995 20 0 BDADLO OC1(C2CC2)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC001117942590 987961697 /nfs/dbraw/zinc/96/16/97/987961697.db2.gz AAEMCYYDKAPGFE-UHFFFAOYSA-N 1 2 246.314 1.012 20 0 BDADLO OC1(C2CC2)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC001117942590 987961714 /nfs/dbraw/zinc/96/17/14/987961714.db2.gz AAEMCYYDKAPGFE-UHFFFAOYSA-N 1 2 246.314 1.012 20 0 BDADLO CC[C@@H](CC(F)F)C(=O)NC1C[NH+](CC)C1 ZINC001494397572 988141579 /nfs/dbraw/zinc/14/15/79/988141579.db2.gz SQYNENPOLQMCBS-QMMMGPOBSA-N 1 2 234.290 1.488 20 0 BDADLO Cn1cc(/C=C\c2nnc(C[NH+](C)C)o2)cn1 ZINC001322339109 988212313 /nfs/dbraw/zinc/21/23/13/988212313.db2.gz ICXSOQVLTGQWHZ-PLNGDYQASA-N 1 2 233.275 1.035 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1=CCOCC1 ZINC001322414816 988258754 /nfs/dbraw/zinc/25/87/54/988258754.db2.gz BGHJJOQVDFQVJS-UHFFFAOYSA-N 1 2 249.314 1.126 20 0 BDADLO CC(C)[C@@H]1C[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001118371344 988269593 /nfs/dbraw/zinc/26/95/93/988269593.db2.gz ALQDZTFGRXIKSI-DTWKUNHWSA-N 1 2 209.293 1.891 20 0 BDADLO COCC1(c2nnc(C[NH+](C)C)o2)CCCC1 ZINC001118372161 988276200 /nfs/dbraw/zinc/27/62/00/988276200.db2.gz QBTCGPLJORNPMM-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2CC23CCOCC3)o1 ZINC001322581673 988333775 /nfs/dbraw/zinc/33/37/75/988333775.db2.gz BRZAOMOUHKEBKO-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO Cc1conc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC001322720439 988369485 /nfs/dbraw/zinc/36/94/85/988369485.db2.gz JZQDKOCNHXGKEO-UHFFFAOYSA-N 1 2 247.258 1.282 20 0 BDADLO CCOC(=O)c1c(C)[nH]nc1Cn1cc[nH+]c1 ZINC001118495238 988382462 /nfs/dbraw/zinc/38/24/62/988382462.db2.gz RPEZPCMBANRALO-UHFFFAOYSA-N 1 2 234.259 1.140 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1cnon1 ZINC001118556497 988431821 /nfs/dbraw/zinc/43/18/21/988431821.db2.gz HPCWNVGPZDOSHE-UHFFFAOYSA-N 1 2 213.281 1.317 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1cnon1 ZINC001118556497 988431826 /nfs/dbraw/zinc/43/18/26/988431826.db2.gz HPCWNVGPZDOSHE-UHFFFAOYSA-N 1 2 213.281 1.317 20 0 BDADLO O=C(/C=C\[C@@H]1CCOC1)N[C@H]1CCn2c[nH+]cc21 ZINC001118793661 988597634 /nfs/dbraw/zinc/59/76/34/988597634.db2.gz ORAMIUPQWDDKLA-OVVPUXAQSA-N 1 2 247.298 1.037 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2ncnn2C)[nH+]c1C ZINC001118852531 988653823 /nfs/dbraw/zinc/65/38/23/988653823.db2.gz MUSMUTOSPBJFKE-VIFPVBQESA-N 1 2 234.307 1.006 20 0 BDADLO COC1(C[NH2+][C@H](C)c2noc(C)n2)CCCC1 ZINC001324043552 988679951 /nfs/dbraw/zinc/67/99/51/988679951.db2.gz BCUFZFLGWFSLQC-SECBINFHSA-N 1 2 239.319 1.988 20 0 BDADLO Cn1cccc1-c1nnc(Cn2cc[nH+]c2)o1 ZINC001324258617 988770472 /nfs/dbraw/zinc/77/04/72/988770472.db2.gz WPRANAUFELHJQX-UHFFFAOYSA-N 1 2 229.243 1.320 20 0 BDADLO c1cn(Cc2nnc(-c3ccccn3)o2)c[nH+]1 ZINC001324258509 988770798 /nfs/dbraw/zinc/77/07/98/988770798.db2.gz VTXBNVNIXPTJMS-UHFFFAOYSA-N 1 2 227.227 1.376 20 0 BDADLO COC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001118984438 988771100 /nfs/dbraw/zinc/77/11/00/988771100.db2.gz GIPQADCTJUBQDM-SNVBAGLBSA-N 1 2 237.303 1.441 20 0 BDADLO COCOc1ccc2[nH]c(CCO)[nH+]c2c1 ZINC001247019001 988845958 /nfs/dbraw/zinc/84/59/58/988845958.db2.gz ZZZRBBIHOYOWIB-UHFFFAOYSA-N 1 2 222.244 1.080 20 0 BDADLO Cn1c[nH+]c(Cc2nc(-c3ccncc3)no2)c1 ZINC001247243758 988854880 /nfs/dbraw/zinc/85/48/80/988854880.db2.gz LRPKVVSQPSNUMD-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO COc1cc(-c2noc([C@H]([NH3+])CO)n2)ccc1C ZINC001247490305 988896750 /nfs/dbraw/zinc/89/67/50/988896750.db2.gz FNTVXGHUIDEMNE-SECBINFHSA-N 1 2 249.270 1.046 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H]1CCCn2nccc21 ZINC001119304591 988915662 /nfs/dbraw/zinc/91/56/62/988915662.db2.gz VZXYMTQJYOWYER-SNVBAGLBSA-N 1 2 246.318 1.119 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])CO)n2)c(C)c1 ZINC001247613807 988945419 /nfs/dbraw/zinc/94/54/19/988945419.db2.gz SFFDWCPBPAXVAD-JTQLQIEISA-N 1 2 233.271 1.346 20 0 BDADLO C[C@@H]([NH2+]Cc1cccn1C1CC1)c1ncnn1C ZINC001119345354 988987649 /nfs/dbraw/zinc/98/76/49/988987649.db2.gz OQDIWBPHTUNRRG-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO C[C@H]1CC[N@H+](CN2C(=O)CC2(C)C)C[C@@H]1F ZINC001324987284 989045678 /nfs/dbraw/zinc/04/56/78/989045678.db2.gz DYRNAWJOZPDSNR-UWVGGRQHSA-N 1 2 228.311 1.635 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C(=O)CC2(C)C)C[C@@H]1F ZINC001324987284 989045693 /nfs/dbraw/zinc/04/56/93/989045693.db2.gz DYRNAWJOZPDSNR-UWVGGRQHSA-N 1 2 228.311 1.635 20 0 BDADLO CCc1ccc(N[C@H](C)C[S@@](C)=O)[nH+]c1 ZINC001515626855 989083386 /nfs/dbraw/zinc/08/33/86/989083386.db2.gz ZYHVHFCOTILXHV-RFAUZJTJSA-N 1 2 226.345 1.823 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H](C)CO2)cc(C)[nH+]1 ZINC001119476120 989094245 /nfs/dbraw/zinc/09/42/45/989094245.db2.gz WXDYBXRMZUVGSM-RNCFNFMXSA-N 1 2 248.326 1.740 20 0 BDADLO Nc1cc(N2CCCc3occc3C2)[nH+]cn1 ZINC001515770556 989113030 /nfs/dbraw/zinc/11/30/30/989113030.db2.gz ZYSLHRULAMYKAX-UHFFFAOYSA-N 1 2 230.271 1.605 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H](C)n2cccc2)[nH+]c1C ZINC001119521194 989121283 /nfs/dbraw/zinc/12/12/83/989121283.db2.gz NNPSYVKBQJONON-LLVKDONJSA-N 1 2 246.314 1.705 20 0 BDADLO CCc1ccc(N2CN(C)C(=O)[C@H]2C)[nH+]c1 ZINC001515849764 989124526 /nfs/dbraw/zinc/12/45/26/989124526.db2.gz BVFBTRVTAPDHIE-SECBINFHSA-N 1 2 219.288 1.268 20 0 BDADLO CCc1ccc(N2CN(C)C(=O)[C@@H]2C)[nH+]c1 ZINC001515849767 989125492 /nfs/dbraw/zinc/12/54/92/989125492.db2.gz BVFBTRVTAPDHIE-VIFPVBQESA-N 1 2 219.288 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]([S@@](C)=O)C2)cc[nH+]1 ZINC001516062898 989137997 /nfs/dbraw/zinc/13/79/97/989137997.db2.gz GEBQVSBEOSSZQQ-KCWFYHRYSA-N 1 2 239.344 1.497 20 0 BDADLO CCc1ccc(N2CC[C@@H](O)[C@H](F)C2)[nH+]c1 ZINC001516050462 989139132 /nfs/dbraw/zinc/13/91/32/989139132.db2.gz FDNFPAVPDZKSPA-GHMZBOCLSA-N 1 2 224.279 1.553 20 0 BDADLO CC[N@H+](CCCC(=O)OC)Cc1nonc1C ZINC001248856610 989197749 /nfs/dbraw/zinc/19/77/49/989197749.db2.gz HDGNICPKTQEKPW-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO CC[N@@H+](CCCC(=O)OC)Cc1nonc1C ZINC001248856610 989197753 /nfs/dbraw/zinc/19/77/53/989197753.db2.gz HDGNICPKTQEKPW-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C)cc(C)n1 ZINC001248932458 989218660 /nfs/dbraw/zinc/21/86/60/989218660.db2.gz IHWFJGMJDNRRTP-UHFFFAOYSA-N 1 2 223.320 1.562 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C)cc(C)n1 ZINC001248932458 989218669 /nfs/dbraw/zinc/21/86/69/989218669.db2.gz IHWFJGMJDNRRTP-UHFFFAOYSA-N 1 2 223.320 1.562 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC001248933070 989219853 /nfs/dbraw/zinc/21/98/53/989219853.db2.gz NFGIEZMLPBWJPX-SNVBAGLBSA-N 1 2 235.331 1.562 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC001248933070 989219860 /nfs/dbraw/zinc/21/98/60/989219860.db2.gz NFGIEZMLPBWJPX-SNVBAGLBSA-N 1 2 235.331 1.562 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1cncnc1)c1nncn1C ZINC001325661148 989223295 /nfs/dbraw/zinc/22/32/95/989223295.db2.gz ZKCLGIRJEUOVMT-LLVKDONJSA-N 1 2 246.318 1.092 20 0 BDADLO CCC1(c2nnc(C[NH+](C)C)o2)CCOCC1 ZINC001325776744 989257250 /nfs/dbraw/zinc/25/72/50/989257250.db2.gz YTQNTAQLIMWLEX-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO CC[C@H](C)c1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001249407439 989276863 /nfs/dbraw/zinc/27/68/63/989276863.db2.gz IELCMGRZFWAQJR-DRZSPHRISA-N 1 2 249.358 1.907 20 0 BDADLO CC[C@H](C)c1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001249407439 989276875 /nfs/dbraw/zinc/27/68/75/989276875.db2.gz IELCMGRZFWAQJR-DRZSPHRISA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CC12CC2)n1cc[nH+]c1 ZINC001325902860 989302543 /nfs/dbraw/zinc/30/25/43/989302543.db2.gz IPSVQYZJFAQINK-IUCAKERBSA-N 1 2 205.261 1.113 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(C)sn2)C[C@@H]1OC ZINC001249571747 989311388 /nfs/dbraw/zinc/31/13/88/989311388.db2.gz VTSYOIKHQKPJRY-PHIMTYICSA-N 1 2 242.344 1.297 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(C)sn2)C[C@@H]1OC ZINC001249571747 989311399 /nfs/dbraw/zinc/31/13/99/989311399.db2.gz VTSYOIKHQKPJRY-PHIMTYICSA-N 1 2 242.344 1.297 20 0 BDADLO Cn1ncnc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249584582 989317653 /nfs/dbraw/zinc/31/76/53/989317653.db2.gz UWMSWYVFZMAPGX-UHFFFAOYSA-N 1 2 243.192 1.394 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]1F ZINC001519042238 989376278 /nfs/dbraw/zinc/37/62/78/989376278.db2.gz VPNGPFGZYPEIOY-CHWSQXEVSA-N 1 2 248.301 1.476 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@H]1F ZINC001519802978 989458541 /nfs/dbraw/zinc/45/85/41/989458541.db2.gz JBRBHTWJYMSQDG-ZJUUUORDSA-N 1 2 233.246 1.309 20 0 BDADLO Cc1cc(N2CC(C)(O)C2)nc(C2CCC2)[nH+]1 ZINC001119948415 989498924 /nfs/dbraw/zinc/49/89/24/989498924.db2.gz MJEGXZHHEUDWFY-UHFFFAOYSA-N 1 2 233.315 1.624 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001119975354 989535309 /nfs/dbraw/zinc/53/53/09/989535309.db2.gz UKRFWDMIFGCQDL-PHDIDXHHSA-N 1 2 233.218 1.274 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CC1(F)F ZINC001520443050 989563286 /nfs/dbraw/zinc/56/32/86/989563286.db2.gz UOMWFWOIAJRMKV-QMMMGPOBSA-N 1 2 230.214 1.601 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@]1(C)CCCO1 ZINC001520440333 989564002 /nfs/dbraw/zinc/56/40/02/989564002.db2.gz FBWAEMNMVRNYKV-LBPRGKRZSA-N 1 2 238.287 1.515 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCCSC1)n1cc[nH+]c1 ZINC001326450817 989566816 /nfs/dbraw/zinc/56/68/16/989566816.db2.gz CTVFZEIDCAJIQU-NXEZZACHSA-N 1 2 239.344 1.456 20 0 BDADLO C[C@H]1CC=C(C(=O)NCCc2[nH+]ccn2C)CC1 ZINC001520632489 989583474 /nfs/dbraw/zinc/58/34/74/989583474.db2.gz MHMZNNBQUDUHEN-NSHDSACASA-N 1 2 247.342 1.825 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCCc1[nH+]ccn1C ZINC001520626989 989584975 /nfs/dbraw/zinc/58/49/75/989584975.db2.gz VKBQBFLTSDYSDW-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)c1ncon1)n1cc[nH+]c1 ZINC001326514225 989591341 /nfs/dbraw/zinc/59/13/41/989591341.db2.gz CRHCWCYQMZBPLZ-BDAKNGLRSA-N 1 2 249.274 1.095 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]1C(C)(C)C ZINC001520815024 989610331 /nfs/dbraw/zinc/61/03/31/989610331.db2.gz YSLCLAACBASJDX-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO CC(C)N(C(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC001521217947 989653438 /nfs/dbraw/zinc/65/34/38/989653438.db2.gz YCEUWDDTTCQVQX-QMMMGPOBSA-N 1 2 220.263 1.368 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2F)C1 ZINC001521214095 989653478 /nfs/dbraw/zinc/65/34/78/989653478.db2.gz DZKXEVWRDMNEMR-UTLUCORTSA-N 1 2 237.278 1.094 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2F)C1 ZINC001521214094 989654893 /nfs/dbraw/zinc/65/48/93/989654893.db2.gz DZKXEVWRDMNEMR-OPRDCNLKSA-N 1 2 237.278 1.094 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCc1cccnc1)C1CC1 ZINC001326710901 989659866 /nfs/dbraw/zinc/65/98/66/989659866.db2.gz UPXUJHQKDRNMOA-CYBMUJFWSA-N 1 2 248.326 1.555 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+][C@@H](C)c1ncon1 ZINC001120509936 989688934 /nfs/dbraw/zinc/68/89/34/989688934.db2.gz YBLYXGGBMXZJKM-UWVGGRQHSA-N 1 2 227.308 1.517 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccns1 ZINC001120587435 989755027 /nfs/dbraw/zinc/75/50/27/989755027.db2.gz WKWZYVBRTLCNDA-MRVPVSSYSA-N 1 2 236.300 1.158 20 0 BDADLO CC[S@](=O)CCNc1nc(C)[nH+]cc1C ZINC001326876293 989755968 /nfs/dbraw/zinc/75/59/68/989755968.db2.gz AUHBOZZSNPIATM-HNNXBMFYSA-N 1 2 227.333 1.274 20 0 BDADLO CCn1nc(C)cc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001522219263 989835124 /nfs/dbraw/zinc/83/51/24/989835124.db2.gz YFFXAGGNCOYBIQ-ZETCQYMHSA-N 1 2 246.261 1.132 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1([C@@H]2CCCO2)CCC1 ZINC001522780621 989876619 /nfs/dbraw/zinc/87/66/19/989876619.db2.gz YCRUWBBABAQKMP-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](CO)C2)[nH+]1 ZINC001120818058 989901581 /nfs/dbraw/zinc/90/15/81/989901581.db2.gz OXNSEVUDFRMNJR-SECBINFHSA-N 1 2 210.252 1.348 20 0 BDADLO CN(C[C@@H]1CC1(C)C)c1cc(N)nc[nH+]1 ZINC001120862200 989932314 /nfs/dbraw/zinc/93/23/14/989932314.db2.gz CLPZZTUUMCBUDP-QMMMGPOBSA-N 1 2 206.293 1.541 20 0 BDADLO CN(C[C@H]1CC1(C)C)c1cc(N)nc[nH+]1 ZINC001120862197 989932679 /nfs/dbraw/zinc/93/26/79/989932679.db2.gz CLPZZTUUMCBUDP-MRVPVSSYSA-N 1 2 206.293 1.541 20 0 BDADLO Cc1cc(F)cc(N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC001120926682 989970256 /nfs/dbraw/zinc/97/02/56/989970256.db2.gz VDJCJXXFANBGDF-SECBINFHSA-N 1 2 237.278 1.196 20 0 BDADLO C[C@@H]([NH3+])CONC(=O)[C@]1(C)CCc2ccccc21 ZINC001122074913 990221507 /nfs/dbraw/zinc/22/15/07/990221507.db2.gz GXISFGHDJPPOHW-QMTHXVAHSA-N 1 2 248.326 1.286 20 0 BDADLO Cn1ccc(CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001527944376 990251893 /nfs/dbraw/zinc/25/18/93/990251893.db2.gz ZUMXSNSFXNJIOO-UHFFFAOYSA-N 1 2 246.314 1.008 20 0 BDADLO CC1(F)CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001122186667 990282631 /nfs/dbraw/zinc/28/26/31/990282631.db2.gz WKBVZAYXSLFCKC-SSDOTTSWSA-N 1 2 238.253 1.320 20 0 BDADLO CCC(C)(C)CC(=O)NCCc1[nH+]ccn1C ZINC001528921115 990321389 /nfs/dbraw/zinc/32/13/89/990321389.db2.gz XYRNQDGFPWWHMA-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO Cc1ccoc1C(=O)NCCc1[nH+]ccn1C ZINC001529227280 990338151 /nfs/dbraw/zinc/33/81/51/990338151.db2.gz NASZOIPRYLOLOU-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC001122758265 990443146 /nfs/dbraw/zinc/44/31/46/990443146.db2.gz XYLLSIPOUAHMFD-DVVUODLYSA-N 1 2 238.287 1.134 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@H](C)C2)nc[nH+]1 ZINC000401420063 990464267 /nfs/dbraw/zinc/46/42/67/990464267.db2.gz TYUHVYQWTUNLPN-SFYZADRCSA-N 1 2 208.265 1.108 20 0 BDADLO CNc1cc(N[C@@H]2CO[C@H](C)C2)[nH+]cn1 ZINC000401420063 990464271 /nfs/dbraw/zinc/46/42/71/990464271.db2.gz TYUHVYQWTUNLPN-SFYZADRCSA-N 1 2 208.265 1.108 20 0 BDADLO CS[C@@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001122969525 990475683 /nfs/dbraw/zinc/47/56/83/990475683.db2.gz LVGLHHQRUKMFSW-VIFPVBQESA-N 1 2 242.344 1.647 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001537692798 990508646 /nfs/dbraw/zinc/50/86/46/990508646.db2.gz ARELFIVRKRXFRJ-GHMZBOCLSA-N 1 2 245.326 1.536 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]1C ZINC001123470539 990591377 /nfs/dbraw/zinc/59/13/77/990591377.db2.gz SGXHYQOYGWFEQG-PSASIEDQSA-N 1 2 208.261 1.602 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)CCc1[nH+]ccn1C ZINC001123837636 990681153 /nfs/dbraw/zinc/68/11/53/990681153.db2.gz LDUMXQMBOZYDPK-LLVKDONJSA-N 1 2 249.358 1.857 20 0 BDADLO C/C=C(/C=C\C(=O)NCCc1[nH+]ccn1C)CC ZINC001124010418 990732152 /nfs/dbraw/zinc/73/21/52/990732152.db2.gz IGLZWNLPMYRABC-WLWVQNKQSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1([C@H]2CCCO2)CCC1 ZINC001124119186 990754433 /nfs/dbraw/zinc/75/44/33/990754433.db2.gz MWHXEVHNQWLKMP-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO COc1cc(O)cc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001556169084 990808340 /nfs/dbraw/zinc/80/83/40/990808340.db2.gz GJCCLHRZLUFAHL-UHFFFAOYSA-N 1 2 247.254 1.305 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001556375214 990824141 /nfs/dbraw/zinc/82/41/41/990824141.db2.gz CWIRBHBOAHIVNT-BZBKMWRSSA-N 1 2 219.288 1.175 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1F ZINC001137591267 990825665 /nfs/dbraw/zinc/82/56/65/990825665.db2.gz GGGULDAJCNWWPQ-UWVGGRQHSA-N 1 2 230.308 1.438 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1F ZINC001137591267 990825667 /nfs/dbraw/zinc/82/56/67/990825667.db2.gz GGGULDAJCNWWPQ-UWVGGRQHSA-N 1 2 230.308 1.438 20 0 BDADLO C[N@H+](Cc1ccc(F)nc1)Cc1ccncn1 ZINC001137744270 990846830 /nfs/dbraw/zinc/84/68/30/990846830.db2.gz XGHFVUVXJUJUMI-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO C[N@@H+](Cc1ccc(F)nc1)Cc1ccncn1 ZINC001137744270 990846833 /nfs/dbraw/zinc/84/68/33/990846833.db2.gz XGHFVUVXJUJUMI-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(F)cc1 ZINC001557692538 990902435 /nfs/dbraw/zinc/90/24/35/990902435.db2.gz COMIUGHEKUZKFS-NSHDSACASA-N 1 2 245.257 1.897 20 0 BDADLO CN(CCCNC(=O)CCF)c1cccc[nH+]1 ZINC001558090741 990924265 /nfs/dbraw/zinc/92/42/65/990924265.db2.gz NHHLQERTWNYMEY-UHFFFAOYSA-N 1 2 239.294 1.384 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC1CCC(=O)CC1 ZINC001558158272 990926525 /nfs/dbraw/zinc/92/65/25/990926525.db2.gz QHMCGTODOHWTQD-UHFFFAOYSA-N 1 2 249.314 1.291 20 0 BDADLO CC(C)OC1C[NH+](Cc2ncccc2O)C1 ZINC001138396175 990933344 /nfs/dbraw/zinc/93/33/44/990933344.db2.gz OOXIEVYXSRDAEP-UHFFFAOYSA-N 1 2 222.288 1.396 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C2CCC2)[nH+]1 ZINC001558561795 990967638 /nfs/dbraw/zinc/96/76/38/990967638.db2.gz VLHIUPRUOUROEW-UHFFFAOYSA-N 1 2 221.304 1.949 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C2CCC2)c[nH+]1 ZINC001558561795 990967650 /nfs/dbraw/zinc/96/76/50/990967650.db2.gz VLHIUPRUOUROEW-UHFFFAOYSA-N 1 2 221.304 1.949 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cnc(C)o1 ZINC001308432892 990990946 /nfs/dbraw/zinc/99/09/46/990990946.db2.gz CRRNNRMBUJXRTF-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO C[C@@H]1CC([NH+]2CC(F)(CO)C2)C[C@@H](C)C1 ZINC001258158796 991025764 /nfs/dbraw/zinc/02/57/64/991025764.db2.gz FXRREISKIVPIOC-UWVGGRQHSA-N 1 2 215.312 1.827 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738152 991028378 /nfs/dbraw/zinc/02/83/78/991028378.db2.gz YLCZYJJFLOOJBQ-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738152 991028384 /nfs/dbraw/zinc/02/83/84/991028384.db2.gz YLCZYJJFLOOJBQ-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO Fc1ncccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001138790780 991052391 /nfs/dbraw/zinc/05/23/91/991052391.db2.gz CKCBCKBZFIIAGO-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ncccc1C[N@H+]1CC[C@]12CCOC2 ZINC001138790780 991052396 /nfs/dbraw/zinc/05/23/96/991052396.db2.gz CKCBCKBZFIIAGO-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO C[N@H+](Cc1cccnc1F)[C@H]1CCOC1 ZINC001138788307 991054710 /nfs/dbraw/zinc/05/47/10/991054710.db2.gz ZGQQDDFZXZAZED-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO C[N@@H+](Cc1cccnc1F)[C@H]1CCOC1 ZINC001138788307 991054722 /nfs/dbraw/zinc/05/47/22/991054722.db2.gz ZGQQDDFZXZAZED-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccnc(Cl)c2)CC[C@@H]1F ZINC001138818696 991067790 /nfs/dbraw/zinc/06/77/90/991067790.db2.gz VZLVQQDASMVDMU-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@@H]1F ZINC001138818696 991067800 /nfs/dbraw/zinc/06/78/00/991067800.db2.gz VZLVQQDASMVDMU-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO C[C@H]1C[C@H]([N@@H+]2CCOC(=O)C2)C[C@@H](C)C1 ZINC001258171098 991068470 /nfs/dbraw/zinc/06/84/70/991068470.db2.gz NZHUGBAKPAFXFS-URLYPYJESA-N 1 2 211.305 1.670 20 0 BDADLO C[C@H]1C[C@H]([N@H+]2CCOC(=O)C2)C[C@@H](C)C1 ZINC001258171098 991068476 /nfs/dbraw/zinc/06/84/76/991068476.db2.gz NZHUGBAKPAFXFS-URLYPYJESA-N 1 2 211.305 1.670 20 0 BDADLO CC(C)OC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000225913447 991084099 /nfs/dbraw/zinc/08/40/99/991084099.db2.gz COGHJEBYQOWLFC-JTQLQIEISA-N 1 2 229.320 1.031 20 0 BDADLO C[N@H+](Cc1ncccc1F)C1CC(O)C1 ZINC001308676455 991091840 /nfs/dbraw/zinc/09/18/40/991091840.db2.gz MLRVBTPNNWBVEG-UHFFFAOYSA-N 1 2 210.252 1.176 20 0 BDADLO C[N@@H+](Cc1ncccc1F)C1CC(O)C1 ZINC001308676455 991091848 /nfs/dbraw/zinc/09/18/48/991091848.db2.gz MLRVBTPNNWBVEG-UHFFFAOYSA-N 1 2 210.252 1.176 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](C)Cc1ccco1 ZINC001258188760 991101791 /nfs/dbraw/zinc/10/17/91/991101791.db2.gz MMXPNURIDIBAAW-SNVBAGLBSA-N 1 2 225.288 1.706 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](C)Cc1ccco1 ZINC001258188760 991101796 /nfs/dbraw/zinc/10/17/96/991101796.db2.gz MMXPNURIDIBAAW-SNVBAGLBSA-N 1 2 225.288 1.706 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nc(C)c[nH]1 ZINC001138939939 991109953 /nfs/dbraw/zinc/10/99/53/991109953.db2.gz VSADOAYGUGSIGF-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nc(C)c[nH]1 ZINC001138939939 991109957 /nfs/dbraw/zinc/10/99/57/991109957.db2.gz VSADOAYGUGSIGF-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001138940232 991110741 /nfs/dbraw/zinc/11/07/41/991110741.db2.gz CGMDCBVBJBQUNL-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001138940232 991110743 /nfs/dbraw/zinc/11/07/43/991110743.db2.gz CGMDCBVBJBQUNL-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CCc1cn(CC(=O)N(C)C2CC2)c[nH+]1 ZINC001559466000 991112790 /nfs/dbraw/zinc/11/27/90/991112790.db2.gz IZKVHODGNYWLLM-UHFFFAOYSA-N 1 2 207.277 1.066 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC001308741079 991116036 /nfs/dbraw/zinc/11/60/36/991116036.db2.gz RTDGIFVONBFOOD-ONGXEEELSA-N 1 2 215.293 1.097 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(CO)cs1 ZINC001308751915 991121948 /nfs/dbraw/zinc/12/19/48/991121948.db2.gz XQYXRELWFFSFAD-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(CO)cs1 ZINC001308751915 991121951 /nfs/dbraw/zinc/12/19/51/991121951.db2.gz XQYXRELWFFSFAD-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cnc(C)nc1 ZINC001139100700 991149451 /nfs/dbraw/zinc/14/94/51/991149451.db2.gz VBBAWZBHQCDPKS-UHFFFAOYSA-N 1 2 245.330 1.757 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cnc(C)nc1 ZINC001139100700 991149456 /nfs/dbraw/zinc/14/94/56/991149456.db2.gz VBBAWZBHQCDPKS-UHFFFAOYSA-N 1 2 245.330 1.757 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC001139139027 991163525 /nfs/dbraw/zinc/16/35/25/991163525.db2.gz SPIOAHPWMCIHDN-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC001139139027 991163530 /nfs/dbraw/zinc/16/35/30/991163530.db2.gz SPIOAHPWMCIHDN-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO Cn1ccc2c1cccc2C[N@@H+]1CCNC(=O)C1 ZINC001139158021 991172266 /nfs/dbraw/zinc/17/22/66/991172266.db2.gz WUNLXIFDTYNWDC-UHFFFAOYSA-N 1 2 243.310 1.110 20 0 BDADLO Cn1ccc2c1cccc2C[N@H+]1CCNC(=O)C1 ZINC001139158021 991172275 /nfs/dbraw/zinc/17/22/75/991172275.db2.gz WUNLXIFDTYNWDC-UHFFFAOYSA-N 1 2 243.310 1.110 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc2nonc12 ZINC001139224688 991199589 /nfs/dbraw/zinc/19/95/89/991199589.db2.gz RJMCMIQRIZRATC-AOOOYVTPSA-N 1 2 231.255 1.196 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc2nonc12 ZINC001139224688 991199592 /nfs/dbraw/zinc/19/95/92/991199592.db2.gz RJMCMIQRIZRATC-AOOOYVTPSA-N 1 2 231.255 1.196 20 0 BDADLO CC1(F)CC[NH+](Cc2nc(CO)cs2)CC1 ZINC001308886344 991203245 /nfs/dbraw/zinc/20/32/45/991203245.db2.gz LKAHVDNMGYDGCM-UHFFFAOYSA-N 1 2 244.335 1.959 20 0 BDADLO C[N@H+](Cc1cnc(N)s1)Cc1cncnc1 ZINC001139230103 991212043 /nfs/dbraw/zinc/21/20/43/991212043.db2.gz UUZIEEPPFMHMOP-UHFFFAOYSA-N 1 2 235.316 1.147 20 0 BDADLO C[N@@H+](Cc1cnc(N)s1)Cc1cncnc1 ZINC001139230103 991212055 /nfs/dbraw/zinc/21/20/55/991212055.db2.gz UUZIEEPPFMHMOP-UHFFFAOYSA-N 1 2 235.316 1.147 20 0 BDADLO CCC1(C[N@@H+]2CCCC(=O)[C@H](F)C2)COC1 ZINC001202927412 991231696 /nfs/dbraw/zinc/23/16/96/991231696.db2.gz SJGJEBREHXTLQH-SNVBAGLBSA-N 1 2 229.295 1.416 20 0 BDADLO CCC1(C[N@H+]2CCCC(=O)[C@H](F)C2)COC1 ZINC001202927412 991231707 /nfs/dbraw/zinc/23/17/07/991231707.db2.gz SJGJEBREHXTLQH-SNVBAGLBSA-N 1 2 229.295 1.416 20 0 BDADLO CCC1(C[N@@H+]2CCCC(=O)[C@@H](F)C2)COC1 ZINC001202927411 991232752 /nfs/dbraw/zinc/23/27/52/991232752.db2.gz SJGJEBREHXTLQH-JTQLQIEISA-N 1 2 229.295 1.416 20 0 BDADLO CCC1(C[N@H+]2CCCC(=O)[C@@H](F)C2)COC1 ZINC001202927411 991232761 /nfs/dbraw/zinc/23/27/61/991232761.db2.gz SJGJEBREHXTLQH-JTQLQIEISA-N 1 2 229.295 1.416 20 0 BDADLO CN(C)c1ccc(C[NH+]2CC(C(F)F)C2)cn1 ZINC001139460190 991249201 /nfs/dbraw/zinc/24/92/01/991249201.db2.gz FRQRLJNGZBPSLL-UHFFFAOYSA-N 1 2 241.285 1.845 20 0 BDADLO C[N@H+](Cc1cccc(Cl)n1)C1(C)COC1 ZINC001139549789 991265858 /nfs/dbraw/zinc/26/58/58/991265858.db2.gz GYNILXIESURZDX-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1cccc(Cl)n1)C1(C)COC1 ZINC001139549789 991265868 /nfs/dbraw/zinc/26/58/68/991265868.db2.gz GYNILXIESURZDX-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO Clc1ccnc(CN2CCn3c[nH+]cc3C2)c1 ZINC001139566099 991272382 /nfs/dbraw/zinc/27/23/82/991272382.db2.gz QCEVZTDHONNNDF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO COc1ccncc1C[NH+]1CC2(C1)CCOC2 ZINC001139606773 991284208 /nfs/dbraw/zinc/28/42/08/991284208.db2.gz ZFUNIKWAXMYOLO-UHFFFAOYSA-N 1 2 234.299 1.313 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)CCC(=O)OC ZINC001258360060 991302171 /nfs/dbraw/zinc/30/21/71/991302171.db2.gz MRSUNIVPKBTDPB-UWVGGRQHSA-N 1 2 245.319 1.259 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC001203198142 991306076 /nfs/dbraw/zinc/30/60/76/991306076.db2.gz HOESDXFZMJZNOO-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2cnn[nH]2)CC1 ZINC001203198142 991306088 /nfs/dbraw/zinc/30/60/88/991306088.db2.gz HOESDXFZMJZNOO-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC001203198142 991306098 /nfs/dbraw/zinc/30/60/98/991306098.db2.gz HOESDXFZMJZNOO-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC001203198142 991306106 /nfs/dbraw/zinc/30/61/06/991306106.db2.gz HOESDXFZMJZNOO-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC001203198142 991306121 /nfs/dbraw/zinc/30/61/21/991306121.db2.gz HOESDXFZMJZNOO-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC001203198142 991306131 /nfs/dbraw/zinc/30/61/31/991306131.db2.gz HOESDXFZMJZNOO-SNVBAGLBSA-N 1 2 212.272 1.519 20 0 BDADLO COC(=O)CC[C@@H](C)[N@@H+]1Cc2cccnc2C1 ZINC001258366385 991311629 /nfs/dbraw/zinc/31/16/29/991311629.db2.gz OUSWMUUWHKDCJG-SNVBAGLBSA-N 1 2 234.299 1.739 20 0 BDADLO COC(=O)CC[C@@H](C)[N@H+]1Cc2cccnc2C1 ZINC001258366385 991311640 /nfs/dbraw/zinc/31/16/40/991311640.db2.gz OUSWMUUWHKDCJG-SNVBAGLBSA-N 1 2 234.299 1.739 20 0 BDADLO C[C@@H](O)[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC001559903032 991317164 /nfs/dbraw/zinc/31/71/64/991317164.db2.gz ORGKILBYOHTWPE-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC001559903032 991317170 /nfs/dbraw/zinc/31/71/70/991317170.db2.gz ORGKILBYOHTWPE-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cn3ccncc3n2)C1 ZINC001139694536 991322728 /nfs/dbraw/zinc/32/27/28/991322728.db2.gz RFMZXUAIJMQGLF-JQWIXIFHSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cn3ccncc3n2)C1 ZINC001139694536 991322737 /nfs/dbraw/zinc/32/27/37/991322737.db2.gz RFMZXUAIJMQGLF-JQWIXIFHSA-N 1 2 248.305 1.909 20 0 BDADLO Cc1cc(O)cc(C)c1C[NH+]1CCN(C#N)CC1 ZINC001139715642 991340839 /nfs/dbraw/zinc/34/08/39/991340839.db2.gz APOFUVYSGKTNGM-UHFFFAOYSA-N 1 2 245.326 1.608 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC12CC(C)(C1)OC2 ZINC001560053198 991367903 /nfs/dbraw/zinc/36/79/03/991367903.db2.gz CMBSYVKAUBBZBI-UHFFFAOYSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC12CC(C)(C1)OC2 ZINC001560053198 991367910 /nfs/dbraw/zinc/36/79/10/991367910.db2.gz CMBSYVKAUBBZBI-UHFFFAOYSA-N 1 2 235.331 1.719 20 0 BDADLO COc1ncc(C[NH+]2CC3(CSC3)C2)s1 ZINC001139817837 991381720 /nfs/dbraw/zinc/38/17/20/991381720.db2.gz IOXYYMQSCXHIHW-UHFFFAOYSA-N 1 2 242.369 1.701 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)s1 ZINC001139814580 991382398 /nfs/dbraw/zinc/38/23/98/991382398.db2.gz JOIISYOSNXTZTG-BDAKNGLRSA-N 1 2 246.307 1.056 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)s1 ZINC001139814580 991382407 /nfs/dbraw/zinc/38/24/07/991382407.db2.gz JOIISYOSNXTZTG-BDAKNGLRSA-N 1 2 246.307 1.056 20 0 BDADLO CN1CC2(C1)CC[N@H+](Cc1ccnc(F)c1)C2 ZINC001139835778 991393923 /nfs/dbraw/zinc/39/39/23/991393923.db2.gz MAVLMRWLLAADOU-UHFFFAOYSA-N 1 2 235.306 1.358 20 0 BDADLO CN1CC2(C1)CC[N@@H+](Cc1ccnc(F)c1)C2 ZINC001139835778 991393927 /nfs/dbraw/zinc/39/39/27/991393927.db2.gz MAVLMRWLLAADOU-UHFFFAOYSA-N 1 2 235.306 1.358 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001328691813 991395192 /nfs/dbraw/zinc/39/51/92/991395192.db2.gz WNAYIUFNADWOPZ-BIOMNHJASA-N 1 2 245.326 1.528 20 0 BDADLO Cn1ncc2ccc(C[NH+]3CCOCC3)cc21 ZINC001139903860 991413683 /nfs/dbraw/zinc/41/36/83/991413683.db2.gz YRTYFNUMQSERMN-UHFFFAOYSA-N 1 2 231.299 1.406 20 0 BDADLO Cc1ccc(C[N@H+]2CCCN(C)C(=O)C2)cn1 ZINC001139932719 991422027 /nfs/dbraw/zinc/42/20/27/991422027.db2.gz LNPXLFOOMGCKGT-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cn1 ZINC001139932719 991422033 /nfs/dbraw/zinc/42/20/33/991422033.db2.gz LNPXLFOOMGCKGT-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH2+]CC(F)F ZINC001258473536 991447607 /nfs/dbraw/zinc/44/76/07/991447607.db2.gz WGRIIEAKYJOQSH-ZETCQYMHSA-N 1 2 209.236 1.573 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cncs2)n1 ZINC001560506163 991491227 /nfs/dbraw/zinc/49/12/27/991491227.db2.gz UQNFSPKKXSQVNV-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H](C)O ZINC001258593626 991492193 /nfs/dbraw/zinc/49/21/93/991492193.db2.gz YISMUVSSMMRABH-BBBLOLIVSA-N 1 2 229.320 1.077 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H](C)O ZINC001258595881 991495893 /nfs/dbraw/zinc/49/58/93/991495893.db2.gz OFFNWRUIEPBFQJ-GMTAPVOTSA-N 1 2 243.347 1.467 20 0 BDADLO CNc1nccc(C[NH+]2CC3(CSC3)C2)n1 ZINC001140049761 991499250 /nfs/dbraw/zinc/49/92/50/991499250.db2.gz QQNKNMRBQLKTFT-UHFFFAOYSA-N 1 2 236.344 1.067 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(O)cc2F)C1 ZINC001140124910 991524682 /nfs/dbraw/zinc/52/46/82/991524682.db2.gz XSLKTDPOADYYAP-UHFFFAOYSA-N 1 2 225.263 1.346 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(F)n2)CC[C@H]1F ZINC001140129897 991530761 /nfs/dbraw/zinc/53/07/61/991530761.db2.gz BFNRZNOKUDNMRK-NXEZZACHSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(F)n2)CC[C@H]1F ZINC001140129897 991530771 /nfs/dbraw/zinc/53/07/71/991530771.db2.gz BFNRZNOKUDNMRK-NXEZZACHSA-N 1 2 228.242 1.125 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc(C)c(O)cc1C ZINC001140201845 991563478 /nfs/dbraw/zinc/56/34/78/991563478.db2.gz CSXYOHKTLQQPEP-UHFFFAOYSA-N 1 2 237.299 1.614 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc(C)c(O)cc1C ZINC001140201845 991563490 /nfs/dbraw/zinc/56/34/90/991563490.db2.gz CSXYOHKTLQQPEP-UHFFFAOYSA-N 1 2 237.299 1.614 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1ccc(O)c(F)c1F ZINC001560746937 991583204 /nfs/dbraw/zinc/58/32/04/991583204.db2.gz WDRWBOVZTMPFNY-SSDOTTSWSA-N 1 2 231.242 1.483 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1ccc(O)c(F)c1F ZINC001560746937 991583216 /nfs/dbraw/zinc/58/32/16/991583216.db2.gz WDRWBOVZTMPFNY-SSDOTTSWSA-N 1 2 231.242 1.483 20 0 BDADLO Cc1ccc2n[nH]c(C[NH+]3CC4(COC4)C3)c2c1 ZINC001140328105 991606603 /nfs/dbraw/zinc/60/66/03/991606603.db2.gz TYMIIDLUVCVCCY-UHFFFAOYSA-N 1 2 243.310 1.704 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)C(CC)CC)C1 ZINC001318003579 991608064 /nfs/dbraw/zinc/60/80/64/991608064.db2.gz XMVKQASDDNPINY-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H](C(=O)N1CCC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC001318307847 991646255 /nfs/dbraw/zinc/64/62/55/991646255.db2.gz PUNAWRBACKPKNJ-ZYHUDNBSSA-N 1 2 233.315 1.845 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC[C@@H](CF)C1 ZINC001140472514 991651667 /nfs/dbraw/zinc/65/16/67/991651667.db2.gz UCJTZEOKENNWPY-QMMMGPOBSA-N 1 2 241.266 1.069 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001140472514 991651679 /nfs/dbraw/zinc/65/16/79/991651679.db2.gz UCJTZEOKENNWPY-QMMMGPOBSA-N 1 2 241.266 1.069 20 0 BDADLO C[C@H](C(=O)N(C)C1CCC1)n1cc[nH+]c1 ZINC001318763029 991710908 /nfs/dbraw/zinc/71/09/08/991710908.db2.gz CHJJQXXLTQDLPB-SECBINFHSA-N 1 2 207.277 1.455 20 0 BDADLO CCn1cccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001565746389 991804987 /nfs/dbraw/zinc/80/49/87/991804987.db2.gz MFGOMQNBTIFSGW-UHFFFAOYSA-N 1 2 229.283 1.886 20 0 BDADLO C[C@@H](C(=O)NCC1(C2CC2)CC1)n1cc[nH+]c1 ZINC001319436410 991866439 /nfs/dbraw/zinc/86/64/39/991866439.db2.gz ZBVFZCDABBOLEU-JTQLQIEISA-N 1 2 233.315 1.751 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001319820612 991990139 /nfs/dbraw/zinc/99/01/39/991990139.db2.gz HOIMHJSHHXFLLY-QWRGUYRKSA-N 1 2 221.304 1.701 20 0 BDADLO CCC1(C(=O)NC2C[NH+](CC=C(C)C)C2)CC1 ZINC001567806257 992098227 /nfs/dbraw/zinc/09/82/27/992098227.db2.gz ZAPSUKGRDKPIGY-UHFFFAOYSA-N 1 2 236.359 1.943 20 0 BDADLO CC[C@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001567822941 992101999 /nfs/dbraw/zinc/10/19/99/992101999.db2.gz QBLOTRUQOAUMGE-VIFPVBQESA-N 1 2 216.300 1.050 20 0 BDADLO Cc1[nH]cnc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001568610336 992197795 /nfs/dbraw/zinc/19/77/95/992197795.db2.gz MFOWBXUPSBOFKE-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001320484410 992219121 /nfs/dbraw/zinc/21/91/21/992219121.db2.gz STLZMCWJVUMEHZ-VIFPVBQESA-N 1 2 234.303 1.050 20 0 BDADLO CC(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)cs1 ZINC001569101599 992304379 /nfs/dbraw/zinc/30/43/79/992304379.db2.gz AOLUYAYXAZLBEF-QMMMGPOBSA-N 1 2 241.360 1.408 20 0 BDADLO CC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)cs1 ZINC001569101599 992304388 /nfs/dbraw/zinc/30/43/88/992304388.db2.gz AOLUYAYXAZLBEF-QMMMGPOBSA-N 1 2 241.360 1.408 20 0 BDADLO CC(=O)N[C@H](C)C[N@H+](C)Cc1nc(C)cs1 ZINC001569101598 992307653 /nfs/dbraw/zinc/30/76/53/992307653.db2.gz AOLUYAYXAZLBEF-MRVPVSSYSA-N 1 2 241.360 1.408 20 0 BDADLO CC(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C)cs1 ZINC001569101598 992307668 /nfs/dbraw/zinc/30/76/68/992307668.db2.gz AOLUYAYXAZLBEF-MRVPVSSYSA-N 1 2 241.360 1.408 20 0 BDADLO C[C@@H](C(=O)N1CCC2(CCC2)C1)n1cc[nH+]c1 ZINC001320835139 992373722 /nfs/dbraw/zinc/37/37/22/992373722.db2.gz GQWLPKUHSMESGL-NSHDSACASA-N 1 2 233.315 1.847 20 0 BDADLO CC(C)[NH+]1CC(N(C)C(=O)C(=O)C(C)(C)C)C1 ZINC001569486585 992396840 /nfs/dbraw/zinc/39/68/40/992396840.db2.gz AVFMQNZNMCYISM-UHFFFAOYSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001321208361 992490741 /nfs/dbraw/zinc/49/07/41/992490741.db2.gz YIBUACUKEGJSTK-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001321208361 992490747 /nfs/dbraw/zinc/49/07/47/992490747.db2.gz YIBUACUKEGJSTK-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001261877075 992554993 /nfs/dbraw/zinc/55/49/93/992554993.db2.gz XHJQZSJQTZPSQA-LPTSXCQYSA-N 1 2 245.326 1.517 20 0 BDADLO CCC[C@H](CCO)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261880338 992558084 /nfs/dbraw/zinc/55/80/84/992558084.db2.gz XJNGONZRYDYUJX-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@H](C(=O)N[C@H]1C[C@@H](C)O[C@H]1C)n1cc[nH+]c1 ZINC001261882288 992558827 /nfs/dbraw/zinc/55/88/27/992558827.db2.gz XILLRBDSJWXCJZ-ZNSHCXBVSA-N 1 2 237.303 1.126 20 0 BDADLO C[C@@H](C(=O)N[C@H]1C[C@@H](C)O[C@@H]1C)n1cc[nH+]c1 ZINC001261882287 992560162 /nfs/dbraw/zinc/56/01/62/992560162.db2.gz XILLRBDSJWXCJZ-YTWAJWBKSA-N 1 2 237.303 1.126 20 0 BDADLO CCn1ncc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C ZINC001261915297 992577453 /nfs/dbraw/zinc/57/74/53/992577453.db2.gz FYIZAATWDPPZHB-SNVBAGLBSA-N 1 2 247.302 1.608 20 0 BDADLO Cc1n[nH]cc1CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001262129750 992693439 /nfs/dbraw/zinc/69/34/39/992693439.db2.gz IAUBWERPEUJMQT-JTQLQIEISA-N 1 2 247.302 1.134 20 0 BDADLO CC[C@@H](C[NH2+][C@H]1CCC[N@H+](CC)C1)C(=O)[O-] ZINC001573805818 992719755 /nfs/dbraw/zinc/71/97/55/992719755.db2.gz ZNDMRLJJIJFIAA-QWRGUYRKSA-N 1 2 228.336 1.171 20 0 BDADLO CC[C@@H](C[NH2+][C@H]1CCC[N@@H+](CC)C1)C(=O)[O-] ZINC001573805818 992719768 /nfs/dbraw/zinc/71/97/68/992719768.db2.gz ZNDMRLJJIJFIAA-QWRGUYRKSA-N 1 2 228.336 1.171 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001262160331 992722280 /nfs/dbraw/zinc/72/22/80/992722280.db2.gz BLFIEJXDFWHUSZ-SECBINFHSA-N 1 2 248.286 1.161 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001262160331 992722293 /nfs/dbraw/zinc/72/22/93/992722293.db2.gz BLFIEJXDFWHUSZ-SECBINFHSA-N 1 2 248.286 1.161 20 0 BDADLO C[S@](=O)(=NC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC001574057644 992798742 /nfs/dbraw/zinc/79/87/42/992798742.db2.gz UEUPRPNAMZTIIF-MRXNPFEDSA-N 1 2 244.360 1.435 20 0 BDADLO CNc1cc(N2CCOC3(CCCC3)C2)nc[nH+]1 ZINC001262360344 992858719 /nfs/dbraw/zinc/85/87/19/992858719.db2.gz DEDSBXOFMQCEJH-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO CNc1cc(N2CCOC3(CCCC3)C2)[nH+]cn1 ZINC001262360344 992858720 /nfs/dbraw/zinc/85/87/20/992858720.db2.gz DEDSBXOFMQCEJH-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO Cn1c[nH+]cc1C1CCN(C(=O)C2(C)CC2)CC1 ZINC001262833589 993083170 /nfs/dbraw/zinc/08/31/70/993083170.db2.gz BKCCFZGRUBLBMC-UHFFFAOYSA-N 1 2 247.342 1.926 20 0 BDADLO CNc1nccc(C[NH+]2Cc3ccccc3C2)n1 ZINC000380675126 993342829 /nfs/dbraw/zinc/34/28/29/993342829.db2.gz NOBAATUOHZIYKF-UHFFFAOYSA-N 1 2 240.310 1.456 20 0 BDADLO COc1cc2[nH+]c(CCO)[nH]c2cc1F ZINC000586894874 993416158 /nfs/dbraw/zinc/41/61/58/993416158.db2.gz XFIBGZAMZKNVOH-UHFFFAOYSA-N 1 2 210.208 1.245 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ncccn1 ZINC001263662725 993455492 /nfs/dbraw/zinc/45/54/92/993455492.db2.gz JYBORIFUFQYQQK-UHFFFAOYSA-N 1 2 232.243 1.050 20 0 BDADLO CO[C@](C)(C[N@H+](C)Cc1cnn[nH]1)C1CC1 ZINC001576935895 993457844 /nfs/dbraw/zinc/45/78/44/993457844.db2.gz KUJKWJHSFDMOGT-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@](C)(C[N@@H+](C)Cc1cnn[nH]1)C1CC1 ZINC001576935895 993457849 /nfs/dbraw/zinc/45/78/49/993457849.db2.gz KUJKWJHSFDMOGT-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@](C)(C[N@H+](C)Cc1c[nH]nn1)C1CC1 ZINC001576935895 993457852 /nfs/dbraw/zinc/45/78/52/993457852.db2.gz KUJKWJHSFDMOGT-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@](C)(C[N@@H+](C)Cc1c[nH]nn1)C1CC1 ZINC001576935895 993457857 /nfs/dbraw/zinc/45/78/57/993457857.db2.gz KUJKWJHSFDMOGT-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO C[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000383744444 993511668 /nfs/dbraw/zinc/51/16/68/993511668.db2.gz ITVYXDVWLLOIJK-LBPRGKRZSA-N 1 2 237.391 1.155 20 0 BDADLO CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@H]1CC1(C)C ZINC001577153904 993517550 /nfs/dbraw/zinc/51/75/50/993517550.db2.gz UEWKDHWYIXOPPX-HLTSFMKQSA-N 1 2 248.317 1.910 20 0 BDADLO CC1=C(C)CN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001263816018 993532163 /nfs/dbraw/zinc/53/21/63/993532163.db2.gz QIHPUICLXNHCNA-UHFFFAOYSA-N 1 2 247.342 1.921 20 0 BDADLO CCOC[C@@H](O)CNc1cccc2[nH+]ccn21 ZINC000384098538 993543776 /nfs/dbraw/zinc/54/37/76/993543776.db2.gz WFSXHYPYBGLFNA-JTQLQIEISA-N 1 2 235.287 1.144 20 0 BDADLO CCC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CCC1 ZINC001265299292 993835482 /nfs/dbraw/zinc/83/54/82/993835482.db2.gz MHMCXLKZGXHPNY-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CCC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CCC1 ZINC001265299292 993835491 /nfs/dbraw/zinc/83/54/91/993835491.db2.gz MHMCXLKZGXHPNY-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CCCC1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001265303701 993838179 /nfs/dbraw/zinc/83/81/79/993838179.db2.gz NJRSPELYUAOFSP-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO CCCC1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001265303701 993838184 /nfs/dbraw/zinc/83/81/84/993838184.db2.gz NJRSPELYUAOFSP-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO CC(=O)C1CC[NH+](Cc2nc(C)cc(C)n2)CC1 ZINC000700514812 993839153 /nfs/dbraw/zinc/83/91/53/993839153.db2.gz GIRWQCGBCLXATB-UHFFFAOYSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(NC[C@@H]1CCCC[N@H+]1CCF)C(F)F ZINC001265638923 993889188 /nfs/dbraw/zinc/88/91/88/993889188.db2.gz LUJQGGRGPWPDDW-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO O=C(NC[C@@H]1CCCC[N@@H+]1CCF)C(F)F ZINC001265638923 993889191 /nfs/dbraw/zinc/88/91/91/993889191.db2.gz LUJQGGRGPWPDDW-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO Cc1nc[nH]c1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000701729497 993908256 /nfs/dbraw/zinc/90/82/56/993908256.db2.gz WFYKALQXXXMGMW-UHFFFAOYSA-N 1 2 227.258 1.949 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(C)o1 ZINC000701848493 993922855 /nfs/dbraw/zinc/92/28/55/993922855.db2.gz OJAHAFSOADBJFP-GFCCVEGCSA-N 1 2 222.288 1.927 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(C)o1 ZINC000701848493 993922866 /nfs/dbraw/zinc/92/28/66/993922866.db2.gz OJAHAFSOADBJFP-GFCCVEGCSA-N 1 2 222.288 1.927 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000724780580 994074369 /nfs/dbraw/zinc/07/43/69/994074369.db2.gz BMKNRPDVPQAOIJ-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000724780580 994074378 /nfs/dbraw/zinc/07/43/78/994074378.db2.gz BMKNRPDVPQAOIJ-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@H](C)C2)c[nH]1 ZINC000724780580 994074388 /nfs/dbraw/zinc/07/43/88/994074388.db2.gz BMKNRPDVPQAOIJ-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@H](C)C2)c[nH]1 ZINC000724780580 994074399 /nfs/dbraw/zinc/07/43/99/994074399.db2.gz BMKNRPDVPQAOIJ-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO [NH3+][C@@H](CC(=O)NCC1=CCCC1)C(F)F ZINC000724734220 994078695 /nfs/dbraw/zinc/07/86/95/994078695.db2.gz MYSAMQMMMXSDSY-QMMMGPOBSA-N 1 2 218.247 1.195 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001306007295 994431668 /nfs/dbraw/zinc/43/16/68/994431668.db2.gz ZIZHVHJCBNUNDO-SASUGWTJSA-N 1 2 249.314 1.024 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001306007295 994431676 /nfs/dbraw/zinc/43/16/76/994431676.db2.gz ZIZHVHJCBNUNDO-SASUGWTJSA-N 1 2 249.314 1.024 20 0 BDADLO CN(Cc1ccccc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001291813773 994589764 /nfs/dbraw/zinc/58/97/64/994589764.db2.gz USZDCNZJMBNIRH-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO O=C(NCC1CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001292595608 994617077 /nfs/dbraw/zinc/61/70/77/994617077.db2.gz DUUUFRQPGQRPKT-GHMZBOCLSA-N 1 2 249.314 1.056 20 0 BDADLO O=C(NCC1CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001292595608 994617089 /nfs/dbraw/zinc/61/70/89/994617089.db2.gz DUUUFRQPGQRPKT-GHMZBOCLSA-N 1 2 249.314 1.056 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CCC=CO1 ZINC001292966996 994633009 /nfs/dbraw/zinc/63/30/09/994633009.db2.gz VYUMJYVNQXOYLC-LBPRGKRZSA-N 1 2 249.314 1.472 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001301049436 995067044 /nfs/dbraw/zinc/06/70/44/995067044.db2.gz FWCUSEMGUGIKGN-VIFPVBQESA-N 1 2 223.276 1.324 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2C)oc1C ZINC001301049436 995067057 /nfs/dbraw/zinc/06/70/57/995067057.db2.gz FWCUSEMGUGIKGN-VIFPVBQESA-N 1 2 223.276 1.324 20 0 BDADLO CC(C)(C)S(=O)(=O)CCNc1cccc[nH+]1 ZINC001337034557 995135717 /nfs/dbraw/zinc/13/57/17/995135717.db2.gz YOSXFTPKULXWSK-UHFFFAOYSA-N 1 2 242.344 1.707 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccoc1 ZINC001304054632 995184209 /nfs/dbraw/zinc/18/42/09/995184209.db2.gz SKJZPMCJSFOQGC-UHFFFAOYSA-N 1 2 245.282 1.812 20 0 BDADLO CN(C)c1cccc(Cn2cc[nH+]c2)n1 ZINC001307540173 995396808 /nfs/dbraw/zinc/39/68/08/995396808.db2.gz XPDBPJMAFGCSOH-UHFFFAOYSA-N 1 2 202.261 1.392 20 0 BDADLO CC[C@H]([NH2+]CCOCC(F)F)c1noc(C)n1 ZINC001307671855 995430982 /nfs/dbraw/zinc/43/09/82/995430982.db2.gz ZWLVFVGIVQQLCI-QMMMGPOBSA-N 1 2 249.261 1.700 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cc[nH]n1 ZINC001308190639 995596584 /nfs/dbraw/zinc/59/65/84/995596584.db2.gz JAWUZNBFFMQVOJ-UHFFFAOYSA-N 1 2 233.319 1.720 20 0 BDADLO C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594387448 999465541 /nfs/dbraw/zinc/46/55/41/999465541.db2.gz KZQFXNKZSFBJJV-UTUOFQBUSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594387448 999465545 /nfs/dbraw/zinc/46/55/45/999465545.db2.gz KZQFXNKZSFBJJV-UTUOFQBUSA-N 1 2 240.347 1.314 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150115 488169429 /nfs/dbraw/zinc/16/94/29/488169429.db2.gz GGKJXVCKVCDLNU-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)NCc1c[nH+]cn1C ZINC000334589029 398138302 /nfs/dbraw/zinc/13/83/02/398138302.db2.gz BCKKEABKQYNYKE-RKDXNWHRSA-N 1 2 222.292 1.112 20 0 BDADLO CCc1cc(NCC[C@H](C)OC)nc[nH+]1 ZINC000309053629 349438515 /nfs/dbraw/zinc/43/85/15/349438515.db2.gz SJFNYBJCSXAYRI-VIFPVBQESA-N 1 2 209.293 1.876 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000385185772 398138625 /nfs/dbraw/zinc/13/86/25/398138625.db2.gz NUKBQLSVPHLJRC-GHMZBOCLSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000385185772 398138629 /nfs/dbraw/zinc/13/86/29/398138629.db2.gz NUKBQLSVPHLJRC-GHMZBOCLSA-N 1 2 238.335 1.204 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)C[C@H](C)O)nn1C ZINC000421356846 192321798 /nfs/dbraw/zinc/32/17/98/192321798.db2.gz METPSVVUHYNTIS-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)C[C@H](C)O)nn1C ZINC000421356846 192321801 /nfs/dbraw/zinc/32/18/01/192321801.db2.gz METPSVVUHYNTIS-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO CCC(CC)([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000338343265 168331035 /nfs/dbraw/zinc/33/10/35/168331035.db2.gz AFZHTJAERMCHQJ-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO CCCCc1nc(C[N@H+](C)[C@@H](C)CCO)no1 ZINC000649867053 398148101 /nfs/dbraw/zinc/14/81/01/398148101.db2.gz DFMDBDLGKMEJSZ-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](C)[C@@H](C)CCO)no1 ZINC000649867053 398148104 /nfs/dbraw/zinc/14/81/04/398148104.db2.gz DFMDBDLGKMEJSZ-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO C[C@@H]1CSCCN(c2cc(CO)cc[nH+]2)C1 ZINC000379492049 398149703 /nfs/dbraw/zinc/14/97/03/398149703.db2.gz IFFNBSOUSBEUMH-JTQLQIEISA-N 1 2 238.356 1.763 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1nccs1 ZINC000299696671 398152073 /nfs/dbraw/zinc/15/20/73/398152073.db2.gz YILBXCOQVXTJCM-UHFFFAOYSA-N 1 2 236.300 1.046 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000649870610 398158146 /nfs/dbraw/zinc/15/81/46/398158146.db2.gz FRHGJTSFWCKHJR-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000649870610 398158147 /nfs/dbraw/zinc/15/81/47/398158147.db2.gz FRHGJTSFWCKHJR-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO CC(C)=CCCNC(=O)NCc1c[nH+]cn1C ZINC000292538572 398167431 /nfs/dbraw/zinc/16/74/31/398167431.db2.gz PYSAYWDZAJDWKT-UHFFFAOYSA-N 1 2 236.319 1.576 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC2)nc1 ZINC000649897728 398169557 /nfs/dbraw/zinc/16/95/57/398169557.db2.gz GWXAFZDWVVTLAR-NSHDSACASA-N 1 2 247.342 1.489 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC2)nc1 ZINC000649897728 398169559 /nfs/dbraw/zinc/16/95/59/398169559.db2.gz GWXAFZDWVVTLAR-NSHDSACASA-N 1 2 247.342 1.489 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccnc2)no1 ZINC000044293779 178027507 /nfs/dbraw/zinc/02/75/07/178027507.db2.gz VKXHGBSYZQXDEY-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)on1 ZINC000044991568 178027567 /nfs/dbraw/zinc/02/75/67/178027567.db2.gz FWMPMQQKAQHUGI-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)on2)n(C)n1 ZINC000283713454 178039179 /nfs/dbraw/zinc/03/91/79/178039179.db2.gz AJSKPRUURZQNPY-SNVBAGLBSA-N 1 2 234.303 1.876 20 0 BDADLO C[C@@H]1SCC[N@H+](CCc2cnn[nH]2)[C@H]1C ZINC000647964444 398178263 /nfs/dbraw/zinc/17/82/63/398178263.db2.gz KFAUIXCHBTYALW-IUCAKERBSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@@H]1SCC[N@@H+](CCc2cnn[nH]2)[C@H]1C ZINC000647964444 398178266 /nfs/dbraw/zinc/17/82/66/398178266.db2.gz KFAUIXCHBTYALW-IUCAKERBSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@H](O)[C@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000270065983 538921477 /nfs/dbraw/zinc/92/14/77/538921477.db2.gz DCNFOQSKRJFBQP-IUCAKERBSA-N 1 2 219.288 1.768 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000423174156 398164662 /nfs/dbraw/zinc/16/46/62/398164662.db2.gz BLZXWQMQMWIHKJ-WCBMZHEXSA-N 1 2 241.360 1.647 20 0 BDADLO CCCCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882904 398164656 /nfs/dbraw/zinc/16/46/56/398164656.db2.gz FULGIJHXRNPHBY-CYBMUJFWSA-N 1 2 237.347 1.984 20 0 BDADLO CCCCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882904 398164659 /nfs/dbraw/zinc/16/46/59/398164659.db2.gz FULGIJHXRNPHBY-CYBMUJFWSA-N 1 2 237.347 1.984 20 0 BDADLO CC1(C)C[N@H+](Cc2cccnc2)[C@@H]2COC[C@H]2O1 ZINC000649910765 398186478 /nfs/dbraw/zinc/18/64/78/398186478.db2.gz CKQTUEDRAZTHSN-CHWSQXEVSA-N 1 2 248.326 1.460 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccnc2)[C@@H]2COC[C@H]2O1 ZINC000649910765 398186481 /nfs/dbraw/zinc/18/64/81/398186481.db2.gz CKQTUEDRAZTHSN-CHWSQXEVSA-N 1 2 248.326 1.460 20 0 BDADLO CCN(CC(F)F)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649921855 398187765 /nfs/dbraw/zinc/18/77/65/398187765.db2.gz FAJNLQHIQSHPCL-VIFPVBQESA-N 1 2 245.273 1.948 20 0 BDADLO CC[C@H]1CC[N@@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000429280841 192027260 /nfs/dbraw/zinc/02/72/60/192027260.db2.gz SAVBZLNUBYBQAD-AAEUAGOBSA-N 1 2 240.347 1.201 20 0 BDADLO CC[C@H]1CC[N@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000429280841 192027261 /nfs/dbraw/zinc/02/72/61/192027261.db2.gz SAVBZLNUBYBQAD-AAEUAGOBSA-N 1 2 240.347 1.201 20 0 BDADLO Cc1cc(N)nc(SC[C@@H](O)C(C)(C)C)[nH+]1 ZINC000304253291 178109340 /nfs/dbraw/zinc/10/93/40/178109340.db2.gz RKCXTPCQKPHCRG-MRVPVSSYSA-N 1 2 241.360 1.866 20 0 BDADLO Cc1cc(N)nc(SCC(C)(C)O)[nH+]1 ZINC000112830875 178110151 /nfs/dbraw/zinc/11/01/51/178110151.db2.gz YRTKVRDEKBWLPK-UHFFFAOYSA-N 1 2 213.306 1.230 20 0 BDADLO CC[N@H+](CC(=O)c1cccn1C)[C@H]1CCOC1 ZINC000336697567 398198822 /nfs/dbraw/zinc/19/88/22/398198822.db2.gz IYSRHJPCSDLIGJ-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO CC[N@@H+](CC(=O)c1cccn1C)[C@H]1CCOC1 ZINC000336697567 398198827 /nfs/dbraw/zinc/19/88/27/398198827.db2.gz IYSRHJPCSDLIGJ-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO Cc1cc(NC(=O)NCCC[C@H](C)O)cc[nH+]1 ZINC000278794687 178139429 /nfs/dbraw/zinc/13/94/29/178139429.db2.gz MLQHKFSFTOMDMH-JTQLQIEISA-N 1 2 237.303 1.673 20 0 BDADLO COCc1nc(C[NH+]2C[C@@H]3CCC[C@H]3C2)no1 ZINC000182550342 136219218 /nfs/dbraw/zinc/21/92/18/136219218.db2.gz PUSHBRBPLFHOGO-UWVGGRQHSA-N 1 2 237.303 1.448 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000649401571 398203615 /nfs/dbraw/zinc/20/36/15/398203615.db2.gz FHTAWWUGEXZTJU-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000649401571 398203617 /nfs/dbraw/zinc/20/36/17/398203617.db2.gz FHTAWWUGEXZTJU-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1cc(N[C@H]2CC[C@@H](CO)C2)nc[nH+]1 ZINC000649407348 398207532 /nfs/dbraw/zinc/20/75/32/398207532.db2.gz WPANGMSZERWIBZ-ZJUUUORDSA-N 1 2 207.277 1.358 20 0 BDADLO c1cn(-c2cc(N3CC[C@H]3C3CC3)ncn2)c[nH+]1 ZINC000649407198 398207599 /nfs/dbraw/zinc/20/75/99/398207599.db2.gz ONBNUZFEBKLHLT-NSHDSACASA-N 1 2 241.298 1.651 20 0 BDADLO Cc1cc(NC(=O)NCc2ccnn2C)cc[nH+]1 ZINC000119985007 178140624 /nfs/dbraw/zinc/14/06/24/178140624.db2.gz WARRUZHBMGLQEA-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)c2nc[nH]n2)cc[nH+]1 ZINC000180725363 178141701 /nfs/dbraw/zinc/14/17/01/178141701.db2.gz DYVUKRNYDAWVBJ-MRVPVSSYSA-N 1 2 246.274 1.391 20 0 BDADLO Cc1cc(NC[C@@H](C)CO)nc(C2CC2)[nH+]1 ZINC000265320671 178165684 /nfs/dbraw/zinc/16/56/84/178165684.db2.gz DXUXGNLEIMXULT-MRVPVSSYSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1ocnc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000104827723 178153149 /nfs/dbraw/zinc/15/31/49/178153149.db2.gz KTDYJFNRCDXCJM-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)nnn1C ZINC000265958993 178153443 /nfs/dbraw/zinc/15/34/43/178153443.db2.gz PNLUQYNLQIAFOU-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO CCO[C@@H]1CC[N@H+](CC(F)F)C[C@@H]1C ZINC000649990010 398209833 /nfs/dbraw/zinc/20/98/33/398209833.db2.gz IQWNCNRDIZOLSI-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO CCO[C@@H]1CC[N@@H+](CC(F)F)C[C@@H]1C ZINC000649990010 398209835 /nfs/dbraw/zinc/20/98/35/398209835.db2.gz IQWNCNRDIZOLSI-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO Cc1cc(NC[C@@H](O)c2ccco2)nc[nH+]1 ZINC000301274884 178165744 /nfs/dbraw/zinc/16/57/44/178165744.db2.gz WJLCTORUWBCWEG-SECBINFHSA-N 1 2 219.244 1.524 20 0 BDADLO CCC(CC)CC(=O)NCc1c[nH+]c[nH]1 ZINC000330957451 168344665 /nfs/dbraw/zinc/34/46/65/168344665.db2.gz NUVOKQTXUIHCNJ-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CCC(CC)CC(=O)NCc1c[nH]c[nH+]1 ZINC000330957451 168344667 /nfs/dbraw/zinc/34/46/67/168344667.db2.gz NUVOKQTXUIHCNJ-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO Cc1cc(NCCC(=O)N(C)C)nc(C2CC2)[nH+]1 ZINC000265353861 178158685 /nfs/dbraw/zinc/15/86/85/178158685.db2.gz KTCAFKDPSYYVHR-UHFFFAOYSA-N 1 2 248.330 1.553 20 0 BDADLO Cc1cc(NCCCO)nc(C2CC2)[nH+]1 ZINC000265346922 178159669 /nfs/dbraw/zinc/15/96/69/178159669.db2.gz JRLIVCLSAWNSKK-UHFFFAOYSA-N 1 2 207.277 1.457 20 0 BDADLO Cc1cc(NCC[C@@H](C)[S@@](C)=O)nc[nH+]1 ZINC000133132873 178161391 /nfs/dbraw/zinc/16/13/91/178161391.db2.gz RKPAGMHPOLRAQP-PSLIRLAXSA-N 1 2 227.333 1.354 20 0 BDADLO Cc1cc(NCCn2cccn2)nc(C2CC2)[nH+]1 ZINC000116260248 178163339 /nfs/dbraw/zinc/16/33/39/178163339.db2.gz HJCYORBYDLYFQG-UHFFFAOYSA-N 1 2 243.314 1.971 20 0 BDADLO Cc1cc(NCCn2cccn2)nc[nH+]1 ZINC000042541716 178163537 /nfs/dbraw/zinc/16/35/37/178163537.db2.gz KLMRVDVLQZAUAJ-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000343403146 365596835 /nfs/dbraw/zinc/59/68/35/365596835.db2.gz ZFQOTASUOJMXEO-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000343403146 365596841 /nfs/dbraw/zinc/59/68/41/365596841.db2.gz ZFQOTASUOJMXEO-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cc(NC[C@@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000235903715 178167668 /nfs/dbraw/zinc/16/76/68/178167668.db2.gz ZYTPWLUSFGEIAW-NXEZZACHSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1cc(NC[C@H]2CCCCO2)nc[nH+]1 ZINC000042822063 178168746 /nfs/dbraw/zinc/16/87/46/178168746.db2.gz ITEUBXBBKYLPEW-SNVBAGLBSA-N 1 2 207.277 1.766 20 0 BDADLO Cc1nc(N[C@@H]2CC23CCCCC3)nc(N)[nH+]1 ZINC000386846550 398221006 /nfs/dbraw/zinc/22/10/06/398221006.db2.gz CCSNAYJYSZREEW-SECBINFHSA-N 1 2 233.319 1.727 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC23CCCCC3)[nH+]1 ZINC000386846550 398221008 /nfs/dbraw/zinc/22/10/08/398221008.db2.gz CCSNAYJYSZREEW-SECBINFHSA-N 1 2 233.319 1.727 20 0 BDADLO CCCCC[N@H+](CCO)Cc1nnc(C)[nH]1 ZINC000428213950 398222550 /nfs/dbraw/zinc/22/25/50/398222550.db2.gz AULBGEUNHCJTIU-UHFFFAOYSA-N 1 2 226.324 1.098 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1nnc(C)[nH]1 ZINC000428213950 398222552 /nfs/dbraw/zinc/22/25/52/398222552.db2.gz AULBGEUNHCJTIU-UHFFFAOYSA-N 1 2 226.324 1.098 20 0 BDADLO Cc1cc(N[C@@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000300922332 178182206 /nfs/dbraw/zinc/18/22/06/178182206.db2.gz ZQRAWTGUCSUUAF-WCBMZHEXSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1cc(N[C@@H]2c3ccccc3C[C@H]2O)nc[nH+]1 ZINC000301450073 178185003 /nfs/dbraw/zinc/18/50/03/178185003.db2.gz SPMGMYVLWIUQLS-TZMCWYRMSA-N 1 2 241.294 1.855 20 0 BDADLO CCC(CC)C[N@H+](CCO)CC(F)F ZINC000194860708 168349721 /nfs/dbraw/zinc/34/97/21/168349721.db2.gz VSLQJOMMSFYDMU-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CCC(CC)C[N@@H+](CCO)CC(F)F ZINC000194860708 168349723 /nfs/dbraw/zinc/34/97/23/168349723.db2.gz VSLQJOMMSFYDMU-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@H](O)C2)o1 ZINC000075617069 398223830 /nfs/dbraw/zinc/22/38/30/398223830.db2.gz VDZXLPZLKZQHNT-VIFPVBQESA-N 1 2 210.277 1.194 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@H](O)C2)o1 ZINC000075617069 398223837 /nfs/dbraw/zinc/22/38/37/398223837.db2.gz VDZXLPZLKZQHNT-VIFPVBQESA-N 1 2 210.277 1.194 20 0 BDADLO C[C@H](O)CN(Cc1[nH+]ccn1C)c1ccccc1 ZINC000264061297 398224063 /nfs/dbraw/zinc/22/40/63/398224063.db2.gz IWWMQIWXJNWXMJ-LBPRGKRZSA-N 1 2 245.326 1.808 20 0 BDADLO Cc1cc(N[C@H](CO)C2CCCC2)nc[nH+]1 ZINC000309611093 178187672 /nfs/dbraw/zinc/18/76/72/178187672.db2.gz ABRNMXVDFFYRCQ-LLVKDONJSA-N 1 2 221.304 1.748 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCCc3ncccc32)n1 ZINC000631603216 361740376 /nfs/dbraw/zinc/74/03/76/361740376.db2.gz OJFZGXOKNBKIIW-LBPRGKRZSA-N 1 2 243.314 1.377 20 0 BDADLO C[C@@H](CC(=O)Nc1ccc(=O)[nH]c1)n1cc[nH+]c1 ZINC000650042880 398226236 /nfs/dbraw/zinc/22/62/36/398226236.db2.gz HGKPFOBUGNJPEP-VIFPVBQESA-N 1 2 246.270 1.574 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ccnn1C(C)C ZINC000521040018 259303111 /nfs/dbraw/zinc/30/31/11/259303111.db2.gz WHAMJQVSBUVEEZ-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ccnn1C(C)C ZINC000521040018 259303112 /nfs/dbraw/zinc/30/31/12/259303112.db2.gz WHAMJQVSBUVEEZ-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276480489 538932563 /nfs/dbraw/zinc/93/25/63/538932563.db2.gz RUVGISWGXHRSDF-IUCAKERBSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276480489 538932565 /nfs/dbraw/zinc/93/25/65/538932565.db2.gz RUVGISWGXHRSDF-IUCAKERBSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000334232941 136224393 /nfs/dbraw/zinc/22/43/93/136224393.db2.gz XDVLSEDLNKXZED-CYBMUJFWSA-N 1 2 242.338 1.869 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000334232941 136224394 /nfs/dbraw/zinc/22/43/94/136224394.db2.gz XDVLSEDLNKXZED-CYBMUJFWSA-N 1 2 242.338 1.869 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CC2(C)OCCCO2)no1 ZINC000284960174 178223211 /nfs/dbraw/zinc/22/32/11/178223211.db2.gz FJWUSYQLRJWJIP-SNVBAGLBSA-N 1 2 240.303 1.787 20 0 BDADLO Cc1ccncc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000276566997 538933135 /nfs/dbraw/zinc/93/31/35/538933135.db2.gz JVNQKYCUDOEPQW-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1ccncc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000276566997 538933137 /nfs/dbraw/zinc/93/31/37/538933137.db2.gz JVNQKYCUDOEPQW-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1nnc(NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC000276633325 538933274 /nfs/dbraw/zinc/93/32/74/538933274.db2.gz PSLZLSZKAPISRV-UHFFFAOYSA-N 1 2 237.288 1.141 20 0 BDADLO Cc1nnc(NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC000276633325 538933275 /nfs/dbraw/zinc/93/32/75/538933275.db2.gz PSLZLSZKAPISRV-UHFFFAOYSA-N 1 2 237.288 1.141 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@H](F)C1)n1cc[nH+]c1 ZINC000650064633 398230306 /nfs/dbraw/zinc/23/03/06/398230306.db2.gz IWCWWGDOXXKMJB-NXEZZACHSA-N 1 2 225.267 1.405 20 0 BDADLO Cc1cc([C@@H](C)NCc2[nH+]ccn2C)no1 ZINC000309689790 178229191 /nfs/dbraw/zinc/22/91/91/178229191.db2.gz IUJQMLDOEDFDHW-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)no1 ZINC000290853154 178232631 /nfs/dbraw/zinc/23/26/31/178232631.db2.gz ZRMIAPCLNAGDGU-ZJUUUORDSA-N 1 2 249.314 1.397 20 0 BDADLO CCN(C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000279997618 538936364 /nfs/dbraw/zinc/93/63/64/538936364.db2.gz SNCSNXJZAYKOSX-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO CCN(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000279997618 538936366 /nfs/dbraw/zinc/93/63/66/538936366.db2.gz SNCSNXJZAYKOSX-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO CCN(CC(F)(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000279908900 538936374 /nfs/dbraw/zinc/93/63/74/538936374.db2.gz WMIXFYQBEXDQMP-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO CCN(CC(F)(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000279908900 538936376 /nfs/dbraw/zinc/93/63/76/538936376.db2.gz WMIXFYQBEXDQMP-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO O=c1c2c([nH]n1CC[NH+]1CCCCC1)CCCC2 ZINC000629942691 361783739 /nfs/dbraw/zinc/78/37/39/361783739.db2.gz OHNWXJSLRACVBK-GFCCVEGCSA-N 1 2 249.358 1.861 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCSC1 ZINC000281189635 538938380 /nfs/dbraw/zinc/93/83/80/538938380.db2.gz MMRBWVGCXQQAAI-SNVBAGLBSA-N 1 2 239.344 1.306 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCSC1 ZINC000281189635 538938381 /nfs/dbraw/zinc/93/83/81/538938381.db2.gz MMRBWVGCXQQAAI-SNVBAGLBSA-N 1 2 239.344 1.306 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ncc[nH]1 ZINC000286206931 538942901 /nfs/dbraw/zinc/94/29/01/538942901.db2.gz RPPWNXRRUSWYJV-SKDRFNHKSA-N 1 2 249.289 1.933 20 0 BDADLO CC1(C)CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000576613481 365639135 /nfs/dbraw/zinc/63/91/35/365639135.db2.gz IRQLTWSNWVLFFS-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)(C(=O)N1CC[C@H]2C[C@H]2C1)c1c[nH+]c[nH]1 ZINC000619372281 343994208 /nfs/dbraw/zinc/99/42/08/343994208.db2.gz ZMQVYQATBHVHHY-UWVGGRQHSA-N 1 2 233.315 1.556 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCF ZINC000580901853 398250778 /nfs/dbraw/zinc/25/07/78/398250778.db2.gz CYENAVQXHWKUMB-VIFPVBQESA-N 1 2 227.283 1.454 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCF ZINC000580901853 398250782 /nfs/dbraw/zinc/25/07/82/398250782.db2.gz CYENAVQXHWKUMB-VIFPVBQESA-N 1 2 227.283 1.454 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000576646976 365648499 /nfs/dbraw/zinc/64/84/99/365648499.db2.gz APCDRGPDFCROLF-XVYDVKMFSA-N 1 2 243.257 1.358 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000576646976 365648507 /nfs/dbraw/zinc/64/85/07/365648507.db2.gz APCDRGPDFCROLF-XVYDVKMFSA-N 1 2 243.257 1.358 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000291291503 538947572 /nfs/dbraw/zinc/94/75/72/538947572.db2.gz RPUPKHWHPBWEGS-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO CC(C)CC[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000624530751 343996608 /nfs/dbraw/zinc/99/66/08/343996608.db2.gz UFLKRVDQJWRHCL-LBPRGKRZSA-N 1 2 249.358 1.985 20 0 BDADLO Cc1cc2c(NCc3c[nH+]cn3C)nccn2n1 ZINC000291082031 538946626 /nfs/dbraw/zinc/94/66/26/538946626.db2.gz IHNOSSHDTPKCFJ-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CO1 ZINC000576710835 365667011 /nfs/dbraw/zinc/66/70/11/365667011.db2.gz XVLCVUIEUKYQTP-RKDXNWHRSA-N 1 2 237.303 1.186 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)cc1 ZINC000021519661 178343205 /nfs/dbraw/zinc/34/32/05/178343205.db2.gz BRZLGQPVMILWBE-SCZZXKLOSA-N 1 2 233.271 1.426 20 0 BDADLO Cc1nc(N[C@@H](CO)CCC(C)C)cc[nH+]1 ZINC000624530624 343996714 /nfs/dbraw/zinc/99/67/14/343996714.db2.gz PNSYVSDRPCJZTR-LLVKDONJSA-N 1 2 223.320 1.994 20 0 BDADLO c1cn(C2CC[NH+](Cc3ccon3)CC2)cn1 ZINC000077285469 398255587 /nfs/dbraw/zinc/25/55/87/398255587.db2.gz AABFJHZERMJELZ-UHFFFAOYSA-N 1 2 232.287 1.708 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291462361 538947925 /nfs/dbraw/zinc/94/79/25/538947925.db2.gz OFZNVEIKDOMEBU-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291484379 538948087 /nfs/dbraw/zinc/94/80/87/538948087.db2.gz QNVMFRCDSFULNU-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291484381 538948229 /nfs/dbraw/zinc/94/82/29/538948229.db2.gz QNVMFRCDSFULNU-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO COc1nc(C)nc(NCc2c[nH+]cn2C)c1C ZINC000291098756 538947838 /nfs/dbraw/zinc/94/78/38/538947838.db2.gz KGMUCXGRDFNSJK-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000335088324 136232723 /nfs/dbraw/zinc/23/27/23/136232723.db2.gz XMHHJFVEYQZNTR-RKDXNWHRSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000335088324 136232724 /nfs/dbraw/zinc/23/27/24/136232724.db2.gz XMHHJFVEYQZNTR-RKDXNWHRSA-N 1 2 209.293 1.998 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000178880260 538953954 /nfs/dbraw/zinc/95/39/54/538953954.db2.gz ZPRUOHSWEVTBMP-SECBINFHSA-N 1 2 230.262 1.255 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000178880260 538953955 /nfs/dbraw/zinc/95/39/55/538953955.db2.gz ZPRUOHSWEVTBMP-SECBINFHSA-N 1 2 230.262 1.255 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000178880270 538954079 /nfs/dbraw/zinc/95/40/79/538954079.db2.gz ZPRUOHSWEVTBMP-VIFPVBQESA-N 1 2 230.262 1.255 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000178880270 538954081 /nfs/dbraw/zinc/95/40/81/538954081.db2.gz ZPRUOHSWEVTBMP-VIFPVBQESA-N 1 2 230.262 1.255 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)C(=O)OC ZINC000378780787 346833221 /nfs/dbraw/zinc/83/32/21/346833221.db2.gz JJIAMCXGYUTCII-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO NC(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626177655 346838666 /nfs/dbraw/zinc/83/86/66/346838666.db2.gz SDYAXJUPIIWZMY-UHFFFAOYSA-N 1 2 240.253 1.419 20 0 BDADLO CCc1noc(C)c1CNC(=O)Cn1cc[nH+]c1 ZINC000647188598 398271534 /nfs/dbraw/zinc/27/15/34/398271534.db2.gz AQIMEOKVFPRBCM-UHFFFAOYSA-N 1 2 248.286 1.058 20 0 BDADLO Cc1cc(N[C@@H](C)[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493356 346851184 /nfs/dbraw/zinc/85/11/84/346851184.db2.gz MDFIWYBHNYJZJT-XPUUQOCRSA-N 1 2 235.209 1.509 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(O)CC1 ZINC000576793600 365687135 /nfs/dbraw/zinc/68/71/35/365687135.db2.gz RTLCPHHUNDHCIK-UHFFFAOYSA-N 1 2 207.277 1.055 20 0 BDADLO Cc1c[nH]c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)[nH+]1 ZINC000600117227 342674149 /nfs/dbraw/zinc/67/41/49/342674149.db2.gz SXHUXYPRVNZEKO-IEVXNVSRSA-N 1 2 241.360 1.059 20 0 BDADLO COc1ccncc1C[NH2+]Cc1nccs1 ZINC000381814765 398274004 /nfs/dbraw/zinc/27/40/04/398274004.db2.gz IXAVBERXMNVLIW-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000602585096 349611911 /nfs/dbraw/zinc/61/19/11/349611911.db2.gz MEWUEUNOSMCRBH-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO CCOC(=O)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600112093 342670619 /nfs/dbraw/zinc/67/06/19/342670619.db2.gz NORCXDSZIFVWFC-UHFFFAOYSA-N 1 2 225.292 1.021 20 0 BDADLO Cc1c[nH]c(CN2CC[C@H](C)[S@@](=O)CC2)[nH+]1 ZINC000600152319 342691471 /nfs/dbraw/zinc/69/14/71/342691471.db2.gz WGVCBJNKBFAFIT-QFYYESIMSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1c[nH]c(CN2CC[C@@H](C)[S@](=O)CC2)[nH+]1 ZINC000600152320 342691644 /nfs/dbraw/zinc/69/16/44/342691644.db2.gz WGVCBJNKBFAFIT-QLJPJBMISA-N 1 2 241.360 1.061 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cnc(C)o1 ZINC000600158133 342692820 /nfs/dbraw/zinc/69/28/20/342692820.db2.gz HPBBILXXOXYEAQ-VIFPVBQESA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cnc(C)o1 ZINC000600158133 342692821 /nfs/dbraw/zinc/69/28/21/342692821.db2.gz HPBBILXXOXYEAQ-VIFPVBQESA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@@H](C)N(CC(=O)OC)Cc1[nH]cc(C)[nH+]1 ZINC000600158913 342692950 /nfs/dbraw/zinc/69/29/50/342692950.db2.gz OFFWVBWWRGOKDL-SNVBAGLBSA-N 1 2 239.319 1.492 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000602588847 349613289 /nfs/dbraw/zinc/61/32/89/349613289.db2.gz ABXPLPBOZZCHQH-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO CN(Cc1ncc[nH]1)C(=O)CCCn1cc[nH+]c1 ZINC000600219268 342713414 /nfs/dbraw/zinc/71/34/14/342713414.db2.gz DTXJYWZSABPHBC-UHFFFAOYSA-N 1 2 247.302 1.045 20 0 BDADLO C[C@H]([NH2+]Cc1noc(C2CC2)n1)[C@@H]1CCCO1 ZINC000183107976 538966147 /nfs/dbraw/zinc/96/61/47/538966147.db2.gz QFNSLZYXYSLNJA-WPRPVWTQSA-N 1 2 237.303 1.604 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccno2)nc1 ZINC000231884554 342741815 /nfs/dbraw/zinc/74/18/15/342741815.db2.gz INDXBBABNUQVPD-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO Cc1cc(CNc2cc(NC3CC3)[nH+]cn2)on1 ZINC000583918343 342721081 /nfs/dbraw/zinc/72/10/81/342721081.db2.gz FDJCHAJDMDWFMM-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO Cc1cc(CNc2cc(NC3CC3)nc[nH+]2)on1 ZINC000583918343 342721082 /nfs/dbraw/zinc/72/10/82/342721082.db2.gz FDJCHAJDMDWFMM-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO C[C@H]1CC[C@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621315385 342778334 /nfs/dbraw/zinc/77/83/34/342778334.db2.gz DFKOJPDDFBLQJA-POYBYMJQSA-N 1 2 245.286 1.267 20 0 BDADLO CCc1ncc(CNc2cc(CC)[nH+]cn2)o1 ZINC000649489974 398287129 /nfs/dbraw/zinc/28/71/29/398287129.db2.gz VKAWAMBIYPLWAN-UHFFFAOYSA-N 1 2 232.287 1.623 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CC[C@@H](O)C2)cc(C)[nH+]1 ZINC000335613809 136237673 /nfs/dbraw/zinc/23/76/73/136237673.db2.gz NVPZZVHPDHYMPW-CHWSQXEVSA-N 1 2 248.326 1.476 20 0 BDADLO COC[C@H]1C[N@@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000607743112 342786952 /nfs/dbraw/zinc/78/69/52/342786952.db2.gz VPMPIASWPCNQFH-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H]1C[N@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000607743112 342786954 /nfs/dbraw/zinc/78/69/54/342786954.db2.gz VPMPIASWPCNQFH-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649487922 398286016 /nfs/dbraw/zinc/28/60/16/398286016.db2.gz VEXBGKZROACMRY-AAEUAGOBSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649487922 398286018 /nfs/dbraw/zinc/28/60/18/398286018.db2.gz VEXBGKZROACMRY-AAEUAGOBSA-N 1 2 249.358 1.829 20 0 BDADLO Cc1nc(N2CCO[C@H](CCF)C2)cc[nH+]1 ZINC000624652229 342808527 /nfs/dbraw/zinc/80/85/27/342808527.db2.gz XKPILYJMZRPZOZ-SNVBAGLBSA-N 1 2 225.267 1.350 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624657173 342811083 /nfs/dbraw/zinc/81/10/83/342811083.db2.gz JWJFSAKYXHNIES-YFKFIEJBSA-N 1 2 248.330 1.337 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624657173 342811084 /nfs/dbraw/zinc/81/10/84/342811084.db2.gz JWJFSAKYXHNIES-YFKFIEJBSA-N 1 2 248.330 1.337 20 0 BDADLO C[C@@H](c1noc(C[NH+](C)C)n1)c1cnccn1 ZINC000624736502 342824314 /nfs/dbraw/zinc/82/43/14/342824314.db2.gz FOKIRPDFLYGDCJ-MRVPVSSYSA-N 1 2 233.275 1.073 20 0 BDADLO Cc1nc(N[C@@H]2CCN(C3CCC3)C2=O)cc[nH+]1 ZINC000624781585 342828563 /nfs/dbraw/zinc/82/85/63/342828563.db2.gz JDLVGLBQLOECOY-LLVKDONJSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1ccc(C)c(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634584275 342836319 /nfs/dbraw/zinc/83/63/19/342836319.db2.gz XVXCVSXCHZVUTD-LLVKDONJSA-N 1 2 243.310 1.616 20 0 BDADLO CC(C)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000390213812 539020307 /nfs/dbraw/zinc/02/03/07/539020307.db2.gz WNLHBSVJUZRICK-UHFFFAOYSA-N 1 2 217.276 1.152 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000390477621 539022065 /nfs/dbraw/zinc/02/20/65/539022065.db2.gz LJRYGJPOHBFWIO-NKWVEPMBSA-N 1 2 221.264 1.513 20 0 BDADLO CC[C@H](Nc1nc(C)[nH+]c(N)n1)C1CCCC1 ZINC000382865261 361983727 /nfs/dbraw/zinc/98/37/27/361983727.db2.gz LPOYDDKVQOWRMX-JTQLQIEISA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@H](Nc1nc(N)nc(C)[nH+]1)C1CCCC1 ZINC000382865261 361983730 /nfs/dbraw/zinc/98/37/30/361983730.db2.gz LPOYDDKVQOWRMX-JTQLQIEISA-N 1 2 235.335 1.973 20 0 BDADLO CCc1cc(N[C@@H](C)[C@@H](C)OC)nc[nH+]1 ZINC000389947630 539018962 /nfs/dbraw/zinc/01/89/62/539018962.db2.gz RDZBLOZUSDVRMC-DTWKUNHWSA-N 1 2 209.293 1.874 20 0 BDADLO Fc1c[nH+]ccc1NCc1ccccn1 ZINC000389997428 539019556 /nfs/dbraw/zinc/01/95/56/539019556.db2.gz QYOHCYWCDXIOEL-UHFFFAOYSA-N 1 2 203.220 1.650 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)[C@H](C)CO1 ZINC000625057618 342846935 /nfs/dbraw/zinc/84/69/35/342846935.db2.gz QFAHOTOAZVMIHE-GHMZBOCLSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)[C@H](C)CO1 ZINC000625057618 342846937 /nfs/dbraw/zinc/84/69/37/342846937.db2.gz QFAHOTOAZVMIHE-GHMZBOCLSA-N 1 2 242.363 1.258 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cnoc1C ZINC000189303750 346868215 /nfs/dbraw/zinc/86/82/15/346868215.db2.gz OJRCPVNAWUYMPE-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnoc1C ZINC000189303750 346868217 /nfs/dbraw/zinc/86/82/17/346868217.db2.gz OJRCPVNAWUYMPE-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000335646756 136243936 /nfs/dbraw/zinc/24/39/36/136243936.db2.gz MOKYFLIHYJIJIW-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000335646756 136243937 /nfs/dbraw/zinc/24/39/37/136243937.db2.gz MOKYFLIHYJIJIW-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(O)c1 ZINC000166975821 398310043 /nfs/dbraw/zinc/31/00/43/398310043.db2.gz SYYNSCVKAJFSHR-UHFFFAOYSA-N 1 2 231.255 1.088 20 0 BDADLO CC(=O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000037331460 398316034 /nfs/dbraw/zinc/31/60/34/398316034.db2.gz XXHWLPPIRZNITN-CQSZACIVSA-N 1 2 232.327 1.564 20 0 BDADLO CC(=O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000037331460 398316035 /nfs/dbraw/zinc/31/60/35/398316035.db2.gz XXHWLPPIRZNITN-CQSZACIVSA-N 1 2 232.327 1.564 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@H](OC)C2)n1 ZINC000076345312 342897035 /nfs/dbraw/zinc/89/70/35/342897035.db2.gz QLQVGIIESGCXLV-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@H](OC)C2)n1 ZINC000076345312 342897036 /nfs/dbraw/zinc/89/70/36/342897036.db2.gz QLQVGIIESGCXLV-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CC1(C)CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC000527535904 262863187 /nfs/dbraw/zinc/86/31/87/262863187.db2.gz XMRXYVZQGOIUBT-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000167295739 136245078 /nfs/dbraw/zinc/24/50/78/136245078.db2.gz MUFGZDMQTKODCF-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000167295739 136245079 /nfs/dbraw/zinc/24/50/79/136245079.db2.gz MUFGZDMQTKODCF-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@H](C)O)s1 ZINC000625189400 342905300 /nfs/dbraw/zinc/90/53/00/342905300.db2.gz QYWOBNJKROLEGL-QMMMGPOBSA-N 1 2 229.349 1.474 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@H](C)O)s1 ZINC000625189400 342905302 /nfs/dbraw/zinc/90/53/02/342905302.db2.gz QYWOBNJKROLEGL-QMMMGPOBSA-N 1 2 229.349 1.474 20 0 BDADLO CCc1cc(NCC[C@@H](C)[S@](C)=O)nc[nH+]1 ZINC000133103017 398322231 /nfs/dbraw/zinc/32/22/31/398322231.db2.gz PFRBGGDXSQROTA-JDNHERCYSA-N 1 2 241.360 1.608 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000584011386 342902623 /nfs/dbraw/zinc/90/26/23/342902623.db2.gz NLPQWKFFLMXLID-OPRDCNLKSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000584011386 342902624 /nfs/dbraw/zinc/90/26/24/342902624.db2.gz NLPQWKFFLMXLID-OPRDCNLKSA-N 1 2 233.315 1.744 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](CO)C2)s1 ZINC000625185881 342904097 /nfs/dbraw/zinc/90/40/97/342904097.db2.gz SZAYLIDGBLRNSD-SECBINFHSA-N 1 2 241.360 1.476 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](CO)C2)s1 ZINC000625185881 342904099 /nfs/dbraw/zinc/90/40/99/342904099.db2.gz SZAYLIDGBLRNSD-SECBINFHSA-N 1 2 241.360 1.476 20 0 BDADLO CC(F)(F)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000562383255 323018790 /nfs/dbraw/zinc/01/87/90/323018790.db2.gz LURWVPDEBKXUAD-UHFFFAOYSA-N 1 2 229.230 1.312 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)CCO1 ZINC000045752939 342916050 /nfs/dbraw/zinc/91/60/50/342916050.db2.gz AKYYVLRRMHTBTJ-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)CCO1 ZINC000045752939 342916052 /nfs/dbraw/zinc/91/60/52/342916052.db2.gz AKYYVLRRMHTBTJ-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@]1(CNc2nc[nH+]c(N)c2Cl)CCOC1 ZINC000309240605 342920295 /nfs/dbraw/zinc/92/02/95/342920295.db2.gz APKSGVPORDEEFO-JTQLQIEISA-N 1 2 242.710 1.551 20 0 BDADLO C[C@@]1(CNc2[nH+]cnc(N)c2Cl)CCOC1 ZINC000309240605 342920296 /nfs/dbraw/zinc/92/02/96/342920296.db2.gz APKSGVPORDEEFO-JTQLQIEISA-N 1 2 242.710 1.551 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000602634276 349649675 /nfs/dbraw/zinc/64/96/75/349649675.db2.gz MFJGOZHEWKZFQP-RYUDHWBXSA-N 1 2 247.338 1.943 20 0 BDADLO Cc1nc(NC[C@@H]2CCCCS2)nc(N)[nH+]1 ZINC000304453039 398336432 /nfs/dbraw/zinc/33/64/32/398336432.db2.gz KLMXDDLGNXSOBY-QMMMGPOBSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCCCS2)[nH+]1 ZINC000304453039 398336433 /nfs/dbraw/zinc/33/64/33/398336433.db2.gz KLMXDDLGNXSOBY-QMMMGPOBSA-N 1 2 239.348 1.460 20 0 BDADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000493547124 529456617 /nfs/dbraw/zinc/45/66/17/529456617.db2.gz FAXHSEHRJOETBL-PFDYWKIBSA-N 1 2 249.314 1.497 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000492901429 529457069 /nfs/dbraw/zinc/45/70/69/529457069.db2.gz PGHLJEMOIFWUQJ-WTIVYXKASA-N 1 2 249.314 1.497 20 0 BDADLO CCOCCO[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000355193804 398331656 /nfs/dbraw/zinc/33/16/56/398331656.db2.gz FIOGAMAORXVXNA-LLVKDONJSA-N 1 2 239.319 1.037 20 0 BDADLO CCOCCO[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000355193804 398331657 /nfs/dbraw/zinc/33/16/57/398331657.db2.gz FIOGAMAORXVXNA-LLVKDONJSA-N 1 2 239.319 1.037 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCO[C@@H](C)C1 ZINC000234790667 342942895 /nfs/dbraw/zinc/94/28/95/342942895.db2.gz IXVBIHVSZLISHU-YUMQZZPRSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCO[C@@H](C)C1 ZINC000234790667 342942896 /nfs/dbraw/zinc/94/28/96/342942896.db2.gz IXVBIHVSZLISHU-YUMQZZPRSA-N 1 2 238.291 1.047 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCF)CC2 ZINC000626181468 346894224 /nfs/dbraw/zinc/89/42/24/346894224.db2.gz KQGWJPZKECWUPM-JTQLQIEISA-N 1 2 239.294 1.230 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)o1 ZINC000351782357 136254266 /nfs/dbraw/zinc/25/42/66/136254266.db2.gz QCAYJNMVWOSRAS-BDAKNGLRSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)o1 ZINC000351782357 136254267 /nfs/dbraw/zinc/25/42/67/136254267.db2.gz QCAYJNMVWOSRAS-BDAKNGLRSA-N 1 2 225.292 1.006 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cs1 ZINC000351825702 136255695 /nfs/dbraw/zinc/25/56/95/136255695.db2.gz JHIJTIUBEFRJLP-PSASIEDQSA-N 1 2 242.344 1.102 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](C)[C@H](O)C2)cs1 ZINC000351825702 136255696 /nfs/dbraw/zinc/25/56/96/136255696.db2.gz JHIJTIUBEFRJLP-PSASIEDQSA-N 1 2 242.344 1.102 20 0 BDADLO C[N@H+](CC(=O)NCC1CC1)Cc1ccsc1 ZINC000042504804 362004743 /nfs/dbraw/zinc/00/47/43/362004743.db2.gz LKYFRNWGXZYCAX-UHFFFAOYSA-N 1 2 238.356 1.706 20 0 BDADLO C[N@@H+](CC(=O)NCC1CC1)Cc1ccsc1 ZINC000042504804 362004746 /nfs/dbraw/zinc/00/47/46/362004746.db2.gz LKYFRNWGXZYCAX-UHFFFAOYSA-N 1 2 238.356 1.706 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CCO[C@@H]1C ZINC000493844598 529560223 /nfs/dbraw/zinc/56/02/23/529560223.db2.gz MHWINDVTKAXGRP-WQMVXFAESA-N 1 2 249.314 1.210 20 0 BDADLO Clc1ccc(NCC[NH+]2CCOCC2)nc1 ZINC000019994748 342966084 /nfs/dbraw/zinc/96/60/84/342966084.db2.gz GBFYZJYOKDUKMV-UHFFFAOYSA-N 1 2 241.722 1.479 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000020361290 342984044 /nfs/dbraw/zinc/98/40/44/342984044.db2.gz UFTUSKMJYBAATA-UHFFFAOYSA-N 1 2 207.273 1.682 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000020361290 342984045 /nfs/dbraw/zinc/98/40/45/342984045.db2.gz UFTUSKMJYBAATA-UHFFFAOYSA-N 1 2 207.273 1.682 20 0 BDADLO CCN(C#N)CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000602793617 349735906 /nfs/dbraw/zinc/73/59/06/349735906.db2.gz BFXXBDRUAFJZMB-UHFFFAOYSA-N 1 2 247.264 1.984 20 0 BDADLO CCN(C#N)CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000602793617 349735908 /nfs/dbraw/zinc/73/59/08/349735908.db2.gz BFXXBDRUAFJZMB-UHFFFAOYSA-N 1 2 247.264 1.984 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1cccc(C)n1 ZINC000602796288 349738002 /nfs/dbraw/zinc/73/80/02/349738002.db2.gz XCMVGMATRAVBJQ-UHFFFAOYSA-N 1 2 232.331 1.625 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1cccc(C)n1 ZINC000602796288 349738004 /nfs/dbraw/zinc/73/80/04/349738004.db2.gz XCMVGMATRAVBJQ-UHFFFAOYSA-N 1 2 232.331 1.625 20 0 BDADLO O=c1c2c([nH]n1C1CCCCCC1)CC[NH2+]C2 ZINC000634602796 342998017 /nfs/dbraw/zinc/99/80/17/342998017.db2.gz DRZNJBBRKMLMLJ-LLVKDONJSA-N 1 2 235.331 1.517 20 0 BDADLO COC(=O)c1coc([C@@H](C)[N@H+]2CC=CCC2)n1 ZINC000602801770 349741677 /nfs/dbraw/zinc/74/16/77/349741677.db2.gz NWJOTLPMHQEQAL-SECBINFHSA-N 1 2 236.271 1.784 20 0 BDADLO COC(=O)c1coc([C@@H](C)[N@@H+]2CC=CCC2)n1 ZINC000602801770 349741678 /nfs/dbraw/zinc/74/16/78/349741678.db2.gz NWJOTLPMHQEQAL-SECBINFHSA-N 1 2 236.271 1.784 20 0 BDADLO CCN(C#N)CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000602801723 349742064 /nfs/dbraw/zinc/74/20/64/349742064.db2.gz MQNUKRQYRSMQEB-QWRGUYRKSA-N 1 2 213.300 1.469 20 0 BDADLO CCN(C#N)CC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000602801723 349742068 /nfs/dbraw/zinc/74/20/68/349742068.db2.gz MQNUKRQYRSMQEB-QWRGUYRKSA-N 1 2 213.300 1.469 20 0 BDADLO COC(=O)c1coc(C[NH+]2CC(C)(C)C2)c1 ZINC000602751313 349730210 /nfs/dbraw/zinc/73/02/10/349730210.db2.gz GMKOMAYFGCSSDZ-UHFFFAOYSA-N 1 2 223.272 1.908 20 0 BDADLO COC(=O)c1cc(C[N@H+](C)CC(C)=O)oc1C ZINC000602758066 349732534 /nfs/dbraw/zinc/73/25/34/349732534.db2.gz IVWLKELHSQEMDE-UHFFFAOYSA-N 1 2 239.271 1.395 20 0 BDADLO COC(=O)c1cc(C[N@@H+](C)CC(C)=O)oc1C ZINC000602758066 349732536 /nfs/dbraw/zinc/73/25/36/349732536.db2.gz IVWLKELHSQEMDE-UHFFFAOYSA-N 1 2 239.271 1.395 20 0 BDADLO O=C(Cc1ccoc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335905648 136260530 /nfs/dbraw/zinc/26/05/30/136260530.db2.gz LJBHYAWFLLFSKK-NSHDSACASA-N 1 2 245.282 1.909 20 0 BDADLO CC1(Cn2[nH]c3c(c2=O)C[NH2+]CC3)CCCC1 ZINC000634630596 343039591 /nfs/dbraw/zinc/03/95/91/343039591.db2.gz ZTTPVZFEUBNZBH-SNVBAGLBSA-N 1 2 235.331 1.374 20 0 BDADLO CC1(C)CCCC[C@@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634625981 343030739 /nfs/dbraw/zinc/03/07/39/343030739.db2.gz TZZVHKZDIMRSDD-JQWIXIFHSA-N 1 2 249.358 1.763 20 0 BDADLO Cc1nc2ccccn2c1C[N@H+]1CCOC[C@@H]1C ZINC000351880081 136262054 /nfs/dbraw/zinc/26/20/54/136262054.db2.gz WFWFGDIFJQUCIM-NSHDSACASA-N 1 2 245.326 1.863 20 0 BDADLO Cc1nc2ccccn2c1C[N@@H+]1CCOC[C@@H]1C ZINC000351880081 136262055 /nfs/dbraw/zinc/26/20/55/136262055.db2.gz WFWFGDIFJQUCIM-NSHDSACASA-N 1 2 245.326 1.863 20 0 BDADLO O=C1[C@@H]2CCCCC2=NN1CCCn1cc[nH+]c1 ZINC000634634199 343046998 /nfs/dbraw/zinc/04/69/98/343046998.db2.gz REAAPQTYRAAKQS-LLVKDONJSA-N 1 2 246.314 1.662 20 0 BDADLO CC1(C)CCC(n2[nH]c3c(c2=O)C[NH2+]CC3)CC1 ZINC000634635822 343049973 /nfs/dbraw/zinc/04/99/73/343049973.db2.gz NVERPYPHAKTQLS-LLVKDONJSA-N 1 2 249.358 1.763 20 0 BDADLO COC(=O)C[N@H+](CC(C)=O)C1CCCCC1 ZINC000602882636 349791845 /nfs/dbraw/zinc/79/18/45/349791845.db2.gz LUNKMAATFYKNLN-UHFFFAOYSA-N 1 2 227.304 1.383 20 0 BDADLO COC(=O)C[N@@H+](CC(C)=O)C1CCCCC1 ZINC000602882636 349791847 /nfs/dbraw/zinc/79/18/47/349791847.db2.gz LUNKMAATFYKNLN-UHFFFAOYSA-N 1 2 227.304 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602886856 349793983 /nfs/dbraw/zinc/79/39/83/349793983.db2.gz JFCQFHCJYMHOQI-SNVBAGLBSA-N 1 2 249.314 1.071 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602886856 349793988 /nfs/dbraw/zinc/79/39/88/349793988.db2.gz JFCQFHCJYMHOQI-SNVBAGLBSA-N 1 2 249.314 1.071 20 0 BDADLO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000449472341 259349241 /nfs/dbraw/zinc/34/92/41/259349241.db2.gz PHQSYLZLYWPJKS-WCBMZHEXSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000449472341 259349242 /nfs/dbraw/zinc/34/92/42/259349242.db2.gz PHQSYLZLYWPJKS-WCBMZHEXSA-N 1 2 245.273 1.623 20 0 BDADLO CCCCOCC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000049262056 343099543 /nfs/dbraw/zinc/09/95/43/343099543.db2.gz PUZXFOISULCWRE-LLVKDONJSA-N 1 2 231.336 1.590 20 0 BDADLO c1[nH]cc(CCc2nc(COC3CCC3)no2)[nH+]1 ZINC000634671553 343112073 /nfs/dbraw/zinc/11/20/73/343112073.db2.gz KTXQCEHIYPUBKC-UHFFFAOYSA-N 1 2 248.286 1.647 20 0 BDADLO c1[nH]c(CCc2nc(COC3CCC3)no2)c[nH+]1 ZINC000634671553 343112075 /nfs/dbraw/zinc/11/20/75/343112075.db2.gz KTXQCEHIYPUBKC-UHFFFAOYSA-N 1 2 248.286 1.647 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1[C@H]1C=CCCC1 ZINC000640944323 362090513 /nfs/dbraw/zinc/09/05/13/362090513.db2.gz DFPLNLMJEWEJEK-JQWIXIFHSA-N 1 2 234.303 1.220 20 0 BDADLO O=C(Nc1cc[nH]n1)c1ccc2[nH+]ccn2c1 ZINC000169931489 136270056 /nfs/dbraw/zinc/27/00/56/136270056.db2.gz BYJYHZKJJXRMEX-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1CCCC1=O)n1cc[nH+]c1 ZINC000576949707 365729297 /nfs/dbraw/zinc/72/92/97/365729297.db2.gz KXEFDAGESZYXGR-GHMZBOCLSA-N 1 2 249.314 1.320 20 0 BDADLO CCN(CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000122998401 343161479 /nfs/dbraw/zinc/16/14/79/343161479.db2.gz OXRZOHJVPIXZAP-UHFFFAOYSA-N 1 2 224.308 1.314 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1C(=O)[O-] ZINC000126047414 343168378 /nfs/dbraw/zinc/16/83/78/343168378.db2.gz JQSMPBHEVQGZRQ-SECBINFHSA-N 1 2 246.270 1.477 20 0 BDADLO C[C@@H](NC(=O)C1CC=CC1)c1[nH]cc[nH+]1 ZINC000125399903 343173716 /nfs/dbraw/zinc/17/37/16/343173716.db2.gz CQFJPSMTXBWYRD-MRVPVSSYSA-N 1 2 205.261 1.553 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCSCC1 ZINC000134838622 343196267 /nfs/dbraw/zinc/19/62/67/343196267.db2.gz LAGZTZZTCAGNBY-UHFFFAOYSA-N 1 2 240.332 1.011 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCSCC1 ZINC000134838622 343196269 /nfs/dbraw/zinc/19/62/69/343196269.db2.gz LAGZTZZTCAGNBY-UHFFFAOYSA-N 1 2 240.332 1.011 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)n1 ZINC000141051838 343197536 /nfs/dbraw/zinc/19/75/36/343197536.db2.gz VAZNJFNQVRDGLC-SNVBAGLBSA-N 1 2 244.298 1.913 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000030773332 343198350 /nfs/dbraw/zinc/19/83/50/343198350.db2.gz VVWJHXCILTZMSX-SSDOTTSWSA-N 1 2 217.276 1.574 20 0 BDADLO CC[C@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000168371860 343210143 /nfs/dbraw/zinc/21/01/43/343210143.db2.gz GLTWFUJFUBPUCF-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO COC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000082777029 136277039 /nfs/dbraw/zinc/27/70/39/136277039.db2.gz LHWRLRSDTZARIU-IUCAKERBSA-N 1 2 217.309 1.341 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](C)CC1 ZINC000134891461 343191652 /nfs/dbraw/zinc/19/16/52/343191652.db2.gz ZDBUZZPAZAYYEX-SECBINFHSA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](C)CC1 ZINC000134891461 343191655 /nfs/dbraw/zinc/19/16/55/343191655.db2.gz ZDBUZZPAZAYYEX-SECBINFHSA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CC(C)(C)C ZINC000134868824 343191818 /nfs/dbraw/zinc/19/18/18/343191818.db2.gz SPLKFYSWEXNXKO-UHFFFAOYSA-N 1 2 224.308 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CC(C)(C)C ZINC000134868824 343191821 /nfs/dbraw/zinc/19/18/21/343191821.db2.gz SPLKFYSWEXNXKO-UHFFFAOYSA-N 1 2 224.308 1.550 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(C)CC1 ZINC000134806949 343195301 /nfs/dbraw/zinc/19/53/01/343195301.db2.gz KUILQZVNLBMTEU-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(C)CC1 ZINC000134806949 343195303 /nfs/dbraw/zinc/19/53/03/343195303.db2.gz KUILQZVNLBMTEU-UHFFFAOYSA-N 1 2 222.292 1.304 20 0 BDADLO CCC[C@H](C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625299679 343226570 /nfs/dbraw/zinc/22/65/70/343226570.db2.gz ZKDDVXJLTMHXDF-VIFPVBQESA-N 1 2 245.348 1.265 20 0 BDADLO CCC[C@H](C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625299679 343226571 /nfs/dbraw/zinc/22/65/71/343226571.db2.gz ZKDDVXJLTMHXDF-VIFPVBQESA-N 1 2 245.348 1.265 20 0 BDADLO OCC[C@H]([NH2+]Cc1cnns1)c1ccco1 ZINC000625328228 343234787 /nfs/dbraw/zinc/23/47/87/343234787.db2.gz QIAVWPKRZPSPSB-VIFPVBQESA-N 1 2 239.300 1.344 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC2CC2)CCC1=O ZINC000231243863 136278980 /nfs/dbraw/zinc/27/89/80/136278980.db2.gz FTWWPXZZCYCMCN-SNVBAGLBSA-N 1 2 211.305 1.324 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC2CC2)CCC1=O ZINC000231243863 136278981 /nfs/dbraw/zinc/27/89/81/136278981.db2.gz FTWWPXZZCYCMCN-SNVBAGLBSA-N 1 2 211.305 1.324 20 0 BDADLO C[C@H]1COCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000046773797 343259219 /nfs/dbraw/zinc/25/92/19/343259219.db2.gz AYLHVRXPICMMAP-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@H]1COCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000046773797 343259220 /nfs/dbraw/zinc/25/92/20/343259220.db2.gz AYLHVRXPICMMAP-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000046774975 343259822 /nfs/dbraw/zinc/25/98/22/343259822.db2.gz KYSDXHTUWLHZLM-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000046774975 343259823 /nfs/dbraw/zinc/25/98/23/343259823.db2.gz KYSDXHTUWLHZLM-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121463248 343267008 /nfs/dbraw/zinc/26/70/08/343267008.db2.gz YOVNZXHXUPLOPD-YPMHNXCESA-N 1 2 235.331 1.515 20 0 BDADLO C/C=C\c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037597 362150498 /nfs/dbraw/zinc/15/04/98/362150498.db2.gz BFPAGRIJDMBEIU-ARJAWSKDSA-N 1 2 203.249 1.093 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccno1)c1ccsc1 ZINC000379928678 365740823 /nfs/dbraw/zinc/74/08/23/365740823.db2.gz MYCULBGVUYBVDP-SNVBAGLBSA-N 1 2 224.285 1.559 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2c(c1)OCCO2 ZINC000036804410 343324218 /nfs/dbraw/zinc/32/42/18/343324218.db2.gz KDQFHQNOWGPAMM-UHFFFAOYSA-N 1 2 245.282 1.803 20 0 BDADLO C/C=C\c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054125 362164082 /nfs/dbraw/zinc/16/40/82/362164082.db2.gz RJPXXBAYNQKXMN-ARJAWSKDSA-N 1 2 203.249 1.093 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(C)c2)CC1=O ZINC000348816802 136298848 /nfs/dbraw/zinc/29/88/48/136298848.db2.gz MRLXZIUEFRNMNU-UHFFFAOYSA-N 1 2 232.327 1.659 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(C)c2)CC1=O ZINC000348816802 136298849 /nfs/dbraw/zinc/29/88/49/136298849.db2.gz MRLXZIUEFRNMNU-UHFFFAOYSA-N 1 2 232.327 1.659 20 0 BDADLO C[C@H]1C[C@H]1C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000625383494 343366011 /nfs/dbraw/zinc/36/60/11/343366011.db2.gz LTBRZPOREHQWEX-WPRPVWTQSA-N 1 2 236.319 1.346 20 0 BDADLO Cc1csc(C[NH2+]CC(=O)NCC2CC2)n1 ZINC000038091638 343371057 /nfs/dbraw/zinc/37/10/57/343371057.db2.gz MUQMCBPOZBZWBE-UHFFFAOYSA-N 1 2 239.344 1.067 20 0 BDADLO CCC(=O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070487 362179500 /nfs/dbraw/zinc/17/95/00/362179500.db2.gz GTAWFZGDFBXNPL-UHFFFAOYSA-N 1 2 230.271 1.623 20 0 BDADLO Cc1nn(C)cc1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000335652589 136305507 /nfs/dbraw/zinc/30/55/07/136305507.db2.gz NSCFHKJBAIAGDD-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH+]ccn2C)s1 ZINC000264284538 178520017 /nfs/dbraw/zinc/52/00/17/178520017.db2.gz IXUPSOLOSOIBNT-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO Cc1cc(CNC(=O)Cn2cccn2)cc(C)[nH+]1 ZINC000421553651 192360336 /nfs/dbraw/zinc/36/03/36/192360336.db2.gz DWAHPTDPRFKUOK-UHFFFAOYSA-N 1 2 244.298 1.211 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc(CC[C@@H](C)O)nn1 ZINC000641070973 362180949 /nfs/dbraw/zinc/18/09/49/362180949.db2.gz SMKILJAJLGUDMO-LLVKDONJSA-N 1 2 246.314 1.343 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CC(C)(C)C1 ZINC000335666580 136311165 /nfs/dbraw/zinc/31/11/65/136311165.db2.gz RXMNXVUSKGTXJA-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](Cc2cncs2)CCN1C ZINC000335680112 136322320 /nfs/dbraw/zinc/32/23/20/136322320.db2.gz KAHIMINBSNQLAJ-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](Cc2cncs2)CCN1C ZINC000335680112 136322321 /nfs/dbraw/zinc/32/23/21/136322321.db2.gz KAHIMINBSNQLAJ-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO CCOC(=O)CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609260273 343396685 /nfs/dbraw/zinc/39/66/85/343396685.db2.gz PWVMUKGMNUXTGH-NSHDSACASA-N 1 2 237.303 1.083 20 0 BDADLO C[C@H]1C[C@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641083482 362203485 /nfs/dbraw/zinc/20/34/85/362203485.db2.gz VQXWJLUJKKQEDC-UWVGGRQHSA-N 1 2 217.276 1.179 20 0 BDADLO C[C@H]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000335720443 136345822 /nfs/dbraw/zinc/34/58/22/136345822.db2.gz UPGHMEHWSXAEND-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)nc1 ZINC000349424117 136346338 /nfs/dbraw/zinc/34/63/38/136346338.db2.gz YZORPSRARFWHHN-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)nc1 ZINC000349424117 136346339 /nfs/dbraw/zinc/34/63/39/136346339.db2.gz YZORPSRARFWHHN-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccn2c(CN3CC(F)C3)c[nH+]c2c1 ZINC000335727321 136348017 /nfs/dbraw/zinc/34/80/17/136348017.db2.gz HXYFSNORRYNANV-UHFFFAOYSA-N 1 2 219.263 1.796 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC1(C)CCC1)C2 ZINC000335732845 136349513 /nfs/dbraw/zinc/34/95/13/136349513.db2.gz DKAKJVFDRGFEIX-UHFFFAOYSA-N 1 2 220.320 1.592 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC1(C)CCC1)C2 ZINC000335732845 136349514 /nfs/dbraw/zinc/34/95/14/136349514.db2.gz DKAKJVFDRGFEIX-UHFFFAOYSA-N 1 2 220.320 1.592 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)NCc1[nH+]ccn1C ZINC000335737409 136351014 /nfs/dbraw/zinc/35/10/14/136351014.db2.gz CPPXQZKALCXYKT-AOOOYVTPSA-N 1 2 236.319 1.503 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000335716933 136339664 /nfs/dbraw/zinc/33/96/64/136339664.db2.gz DPSCSOTWIONSPB-SNVBAGLBSA-N 1 2 236.319 1.360 20 0 BDADLO OCC1CN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000335891877 136358863 /nfs/dbraw/zinc/35/88/63/136358863.db2.gz JPTXUAZGOYEVLA-UHFFFAOYSA-N 1 2 232.258 1.802 20 0 BDADLO CCOCc1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000641095882 362223458 /nfs/dbraw/zinc/22/34/58/362223458.db2.gz LANKJPBCPDZWBO-UHFFFAOYSA-N 1 2 246.314 1.875 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000351582036 136369544 /nfs/dbraw/zinc/36/95/44/136369544.db2.gz PDERBJUBQGIYOX-OYNCUSHFSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000351582036 136369545 /nfs/dbraw/zinc/36/95/45/136369545.db2.gz PDERBJUBQGIYOX-OYNCUSHFSA-N 1 2 225.292 1.142 20 0 BDADLO CC(C)/C=C\c1cn(CCn2cc[nH+]c2)nn1 ZINC000641124286 362231188 /nfs/dbraw/zinc/23/11/88/362231188.db2.gz YWCDPGRYILVYMV-ARJAWSKDSA-N 1 2 231.303 1.844 20 0 BDADLO CC[C@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000082680144 343459416 /nfs/dbraw/zinc/45/94/16/343459416.db2.gz MTASRXFTZUHNMW-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000082680144 343459418 /nfs/dbraw/zinc/45/94/18/343459418.db2.gz MTASRXFTZUHNMW-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000083746778 343497811 /nfs/dbraw/zinc/49/78/11/343497811.db2.gz NMZRHWUHBZAONP-QMMMGPOBSA-N 1 2 208.290 1.565 20 0 BDADLO CC[NH+]1CCN(C(=O)c2sccc2C)CC1 ZINC000046466096 343545735 /nfs/dbraw/zinc/54/57/35/343545735.db2.gz QZJCRDNFQKJNIO-UHFFFAOYSA-N 1 2 238.356 1.834 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccco1 ZINC000047575480 343563707 /nfs/dbraw/zinc/56/37/07/343563707.db2.gz PWOQSKAJFPUZFK-SNVBAGLBSA-N 1 2 248.286 1.364 20 0 BDADLO CCOC(=O)CC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000118972097 343586065 /nfs/dbraw/zinc/58/60/65/343586065.db2.gz GITKSVFTNLWHAL-SNVBAGLBSA-N 1 2 245.319 1.117 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cccn1C ZINC000049138230 343593890 /nfs/dbraw/zinc/59/38/90/343593890.db2.gz HOHOUIWRGJAVKO-LBPRGKRZSA-N 1 2 238.331 1.702 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@](C)(F)C1 ZINC000570222193 323053218 /nfs/dbraw/zinc/05/32/18/323053218.db2.gz HZZANNSFJQZYNB-KWQFWETISA-N 1 2 224.283 1.384 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@](C)(F)C1 ZINC000570222193 323053219 /nfs/dbraw/zinc/05/32/19/323053219.db2.gz HZZANNSFJQZYNB-KWQFWETISA-N 1 2 224.283 1.384 20 0 BDADLO CCc1nnc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492863718 529769542 /nfs/dbraw/zinc/76/95/42/529769542.db2.gz MTHSQOOYCOOVKX-ARJAWSKDSA-N 1 2 249.299 1.476 20 0 BDADLO C[N@H+](CCO)Cc1nnc(-c2ccccc2)o1 ZINC000049634109 343604895 /nfs/dbraw/zinc/60/48/95/343604895.db2.gz ZJVRHIIFCGPPRM-UHFFFAOYSA-N 1 2 233.271 1.161 20 0 BDADLO C[N@@H+](CCO)Cc1nnc(-c2ccccc2)o1 ZINC000049634109 343604896 /nfs/dbraw/zinc/60/48/96/343604896.db2.gz ZJVRHIIFCGPPRM-UHFFFAOYSA-N 1 2 233.271 1.161 20 0 BDADLO C[C@H]1CCN(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000570226173 323053735 /nfs/dbraw/zinc/05/37/35/323053735.db2.gz IHNHHAMTRRZEAW-VIFPVBQESA-N 1 2 222.292 1.303 20 0 BDADLO C[C@H]1CCN(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000570226173 323053736 /nfs/dbraw/zinc/05/37/36/323053736.db2.gz IHNHHAMTRRZEAW-VIFPVBQESA-N 1 2 222.292 1.303 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000052660214 343637658 /nfs/dbraw/zinc/63/76/58/343637658.db2.gz FCEAEVKCXUCITJ-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000052660214 343637659 /nfs/dbraw/zinc/63/76/59/343637659.db2.gz FCEAEVKCXUCITJ-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)CCCn1cc[nH+]c1 ZINC000620078244 343638875 /nfs/dbraw/zinc/63/88/75/343638875.db2.gz HZIOADVQIPFXGP-ZDUSSCGKSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1nccc(SC[C@H]2C[N@H+](C)CCO2)n1 ZINC000584109745 343647464 /nfs/dbraw/zinc/64/74/64/343647464.db2.gz CKELYTGHPVYLIE-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1nccc(SC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000584109745 343647467 /nfs/dbraw/zinc/64/74/67/343647467.db2.gz CKELYTGHPVYLIE-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO CCc1[nH]nc(NC(=O)CCn2cc[nH+]c2)c1C ZINC000580580339 365789877 /nfs/dbraw/zinc/78/98/77/365789877.db2.gz BBUYBZVHBXSHQJ-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCOC(C)C ZINC000087613340 343654555 /nfs/dbraw/zinc/65/45/55/343654555.db2.gz QCKCGISZOYMCCN-SNVBAGLBSA-N 1 2 217.309 1.295 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOC(C)C ZINC000087613340 343654558 /nfs/dbraw/zinc/65/45/58/343654558.db2.gz QCKCGISZOYMCCN-SNVBAGLBSA-N 1 2 217.309 1.295 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1cccc(Cl)c1 ZINC000083971012 343691950 /nfs/dbraw/zinc/69/19/50/343691950.db2.gz WUQHDBFYXRSYBL-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO C/C=C/C[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631395730 343695364 /nfs/dbraw/zinc/69/53/64/343695364.db2.gz RLEXZAXQSKEDLM-PGLGOXFNSA-N 1 2 247.346 1.775 20 0 BDADLO C/C=C/C[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631395730 343695368 /nfs/dbraw/zinc/69/53/68/343695368.db2.gz RLEXZAXQSKEDLM-PGLGOXFNSA-N 1 2 247.346 1.775 20 0 BDADLO CCC(=O)c1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641169289 362250094 /nfs/dbraw/zinc/25/00/94/362250094.db2.gz WBZNUFQCMJZPCC-UHFFFAOYSA-N 1 2 246.270 1.323 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C[C@@H](C)CC)C(=O)OC ZINC000576041491 343699338 /nfs/dbraw/zinc/69/93/38/343699338.db2.gz GRCZUMATSRQEEU-SRVKXCTJSA-N 1 2 245.363 1.979 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634714875 343705729 /nfs/dbraw/zinc/70/57/29/343705729.db2.gz SKCDJJWCRLKQNP-ZJUUUORDSA-N 1 2 237.290 1.143 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634714874 343705838 /nfs/dbraw/zinc/70/58/38/343705838.db2.gz SKCDJJWCRLKQNP-VHSXEESVSA-N 1 2 237.290 1.143 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cc(C)no1 ZINC000048048396 343705842 /nfs/dbraw/zinc/70/58/42/343705842.db2.gz WXBJCOMQPXCJDR-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cc(C)no1 ZINC000048048396 343705844 /nfs/dbraw/zinc/70/58/44/343705844.db2.gz WXBJCOMQPXCJDR-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCOc1cccc(F)c1 ZINC000048071265 343708174 /nfs/dbraw/zinc/70/81/74/343708174.db2.gz NIPHETCBBYNCNO-NSHDSACASA-N 1 2 239.290 1.925 20 0 BDADLO C[C@H]1COCC[N@H+]1CCOc1cccc(F)c1 ZINC000048071265 343708176 /nfs/dbraw/zinc/70/81/76/343708176.db2.gz NIPHETCBBYNCNO-NSHDSACASA-N 1 2 239.290 1.925 20 0 BDADLO CON1CCC(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000631140077 343685353 /nfs/dbraw/zinc/68/53/53/343685353.db2.gz KRBKLKDCCLHKFQ-UHFFFAOYSA-N 1 2 249.314 1.024 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000584110982 343687319 /nfs/dbraw/zinc/68/73/19/343687319.db2.gz DJIGOUODAKOAHY-LLVKDONJSA-N 1 2 221.304 1.476 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000584110982 343687320 /nfs/dbraw/zinc/68/73/20/343687320.db2.gz DJIGOUODAKOAHY-LLVKDONJSA-N 1 2 221.304 1.476 20 0 BDADLO FC(F)COCCN1CCc2[nH+]c[nH]c2C1 ZINC000625436175 343733599 /nfs/dbraw/zinc/73/35/99/343733599.db2.gz GDKBUDNMJPNMBA-UHFFFAOYSA-N 1 2 231.246 1.050 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(F)cn1 ZINC000336395195 537806060 /nfs/dbraw/zinc/80/60/60/537806060.db2.gz GOUWYNRSYRUEHE-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO Cc1noc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000625438408 343740243 /nfs/dbraw/zinc/74/02/43/343740243.db2.gz QBNAXQRICBVMEO-SSDOTTSWSA-N 1 2 233.275 1.220 20 0 BDADLO Cc1cc(N2CCC[C@H]2c2cn[nH]c2)nc[nH+]1 ZINC000624382081 343743732 /nfs/dbraw/zinc/74/37/32/343743732.db2.gz MJAPBVWHTXYKLG-NSHDSACASA-N 1 2 229.287 1.850 20 0 BDADLO COC(=O)[C@H](NCc1[nH+]ccn1C)C(C)(C)C ZINC000119351428 343720858 /nfs/dbraw/zinc/72/08/58/343720858.db2.gz KIYFCPMXIXEBIY-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO COC[C@@H](CCNc1[nH+]cccc1OC)OC ZINC000624385903 343744635 /nfs/dbraw/zinc/74/46/35/343744635.db2.gz SVWPXARFOKFTFH-SNVBAGLBSA-N 1 2 240.303 1.554 20 0 BDADLO CS[C@H](CO)[C@H](C)Nc1cc[nH+]cc1F ZINC000380301803 343722847 /nfs/dbraw/zinc/72/28/47/343722847.db2.gz DWCIYLVPZGLITA-OIBJUYFYSA-N 1 2 230.308 1.167 20 0 BDADLO C[N@H+](Cc1cnns1)[C@@H]1CCCOC1 ZINC000625422326 343724137 /nfs/dbraw/zinc/72/41/37/343724137.db2.gz RIIGRAFWXLFBSE-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[N@@H+](Cc1cnns1)[C@@H]1CCCOC1 ZINC000625422326 343724139 /nfs/dbraw/zinc/72/41/39/343724139.db2.gz RIIGRAFWXLFBSE-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO CCn1nc(C)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000096477313 343746269 /nfs/dbraw/zinc/74/62/69/343746269.db2.gz BOOVAKVNHGAJAJ-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO C[C@H](CC(=O)NCCc1[nH]cc[nH+]1)C(F)(F)F ZINC000625450771 343777782 /nfs/dbraw/zinc/77/77/82/343777782.db2.gz ZUTXJXOKKJZHNF-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO COC1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000584117554 343761085 /nfs/dbraw/zinc/76/10/85/343761085.db2.gz MDELAFQXMFCYMV-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)c1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000584141789 343764283 /nfs/dbraw/zinc/76/42/83/343764283.db2.gz PNBKONIGHXASFB-SSDOTTSWSA-N 1 2 247.254 1.696 20 0 BDADLO CC[C@H](C[N@@H+]1CCC[C@H]1c1ncon1)OC ZINC000570425890 323059397 /nfs/dbraw/zinc/05/93/97/323059397.db2.gz BJXBTGIFSUIIOB-ZJUUUORDSA-N 1 2 225.292 1.632 20 0 BDADLO CC[C@H](C[N@H+]1CCC[C@H]1c1ncon1)OC ZINC000570425890 323059398 /nfs/dbraw/zinc/05/93/98/323059398.db2.gz BJXBTGIFSUIIOB-ZJUUUORDSA-N 1 2 225.292 1.632 20 0 BDADLO CN(CC1CCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493160801 529862505 /nfs/dbraw/zinc/86/25/05/529862505.db2.gz QQPVUGPPTVHHIQ-WAYWQWQTSA-N 1 2 219.288 1.681 20 0 BDADLO CN(CC1CCOCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493735981 529865954 /nfs/dbraw/zinc/86/59/54/529865954.db2.gz DCPXZZLYOCUDKE-NSCUHMNNSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCOCC2)nc1 ZINC000336653326 537818935 /nfs/dbraw/zinc/81/89/35/537818935.db2.gz YBYXNLZXZFRSME-UHFFFAOYSA-N 1 2 207.277 1.007 20 0 BDADLO Cc1cnc(C[N@H+]2CCCOCC2)nc1 ZINC000336653326 537818942 /nfs/dbraw/zinc/81/89/42/537818942.db2.gz YBYXNLZXZFRSME-UHFFFAOYSA-N 1 2 207.277 1.007 20 0 BDADLO Cn1ncc2c1CCC[N@H+](Cc1cnns1)C2 ZINC000625469198 343873832 /nfs/dbraw/zinc/87/38/32/343873832.db2.gz MLPQJDRAYGNCKG-UHFFFAOYSA-N 1 2 249.343 1.220 20 0 BDADLO Cn1ncc2c1CCC[N@@H+](Cc1cnns1)C2 ZINC000625469198 343873833 /nfs/dbraw/zinc/87/38/33/343873833.db2.gz MLPQJDRAYGNCKG-UHFFFAOYSA-N 1 2 249.343 1.220 20 0 BDADLO Cn1cc[nH+]c1CN1CCOc2ccccc2C1 ZINC000624482234 343906737 /nfs/dbraw/zinc/90/67/37/343906737.db2.gz RJCZSJIXWZDRNJ-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000603232032 349892042 /nfs/dbraw/zinc/89/20/42/349892042.db2.gz TWJVKVROEIWDOS-NWDGAFQWSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000603232032 349892046 /nfs/dbraw/zinc/89/20/46/349892046.db2.gz TWJVKVROEIWDOS-NWDGAFQWSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641188058 362265313 /nfs/dbraw/zinc/26/53/13/362265313.db2.gz CWAZPGQFHVFIOO-ONGXEEELSA-N 1 2 224.308 1.156 20 0 BDADLO Cc1cc(CN[C@H]2C[C@H](C)n3cc[nH+]c32)no1 ZINC000379064406 347019004 /nfs/dbraw/zinc/01/90/04/347019004.db2.gz UQJQRLCJNYPCDJ-KWQFWETISA-N 1 2 232.287 1.975 20 0 BDADLO Cc1cc(NC(=O)C23CC(C2)C3)cc[nH+]1 ZINC000625511926 343914215 /nfs/dbraw/zinc/91/42/15/343914215.db2.gz AHGBDWIIUITVDN-UHFFFAOYSA-N 1 2 202.257 1.551 20 0 BDADLO CN(CC(=O)NCC(C)(C)C)Cc1c[nH+]c[nH]1 ZINC000625528643 343918398 /nfs/dbraw/zinc/91/83/98/343918398.db2.gz HZGUBCCTDCWQAI-UHFFFAOYSA-N 1 2 238.335 1.004 20 0 BDADLO CN(CC(=O)NCC(C)(C)C)Cc1c[nH]c[nH+]1 ZINC000625528643 343918400 /nfs/dbraw/zinc/91/84/00/343918400.db2.gz HZGUBCCTDCWQAI-UHFFFAOYSA-N 1 2 238.335 1.004 20 0 BDADLO C/C=C/c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641178555 362256656 /nfs/dbraw/zinc/25/66/56/362256656.db2.gz XUHODLHPRYVMFL-SNAWJCMRSA-N 1 2 243.314 1.821 20 0 BDADLO Cc1c[nH]c(C[N@H+](CCO)Cc2ccccc2)n1 ZINC000628118667 343968556 /nfs/dbraw/zinc/96/85/56/343968556.db2.gz CWZAYDSWXZXFIM-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1c[nH]c(C[N@@H+](CCO)Cc2ccccc2)n1 ZINC000628118667 343968559 /nfs/dbraw/zinc/96/85/59/343968559.db2.gz CWZAYDSWXZXFIM-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)CC1(C)COC1 ZINC000625787766 344074461 /nfs/dbraw/zinc/07/44/61/344074461.db2.gz GVGFOAGVTQGLOS-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)CC1(C)COC1 ZINC000625787766 344074464 /nfs/dbraw/zinc/07/44/64/344074464.db2.gz GVGFOAGVTQGLOS-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO CCC[C@H](OCC)C(=O)NCc1c[nH+]c[nH]1 ZINC000625743431 344062405 /nfs/dbraw/zinc/06/24/05/344062405.db2.gz XHOQDPJXNVIZGJ-JTQLQIEISA-N 1 2 225.292 1.231 20 0 BDADLO CCC[C@H](OCC)C(=O)NCc1c[nH]c[nH+]1 ZINC000625743431 344062407 /nfs/dbraw/zinc/06/24/07/344062407.db2.gz XHOQDPJXNVIZGJ-JTQLQIEISA-N 1 2 225.292 1.231 20 0 BDADLO CC[N@@H+](Cc1ccon1)C[C@H]1CCCO1 ZINC000077316056 344065579 /nfs/dbraw/zinc/06/55/79/344065579.db2.gz BPCSXBVHLFKLKV-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CC[N@H+](Cc1ccon1)C[C@H]1CCCO1 ZINC000077316056 344065581 /nfs/dbraw/zinc/06/55/81/344065581.db2.gz BPCSXBVHLFKLKV-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CCN1OC[C@H]([N@@H+]2CCCC(F)(F)CC2)C1=O ZINC000625770818 344066411 /nfs/dbraw/zinc/06/64/11/344066411.db2.gz UGFHEQYPGJGDIG-VIFPVBQESA-N 1 2 248.273 1.270 20 0 BDADLO CCN1OC[C@H]([N@H+]2CCCC(F)(F)CC2)C1=O ZINC000625770818 344066412 /nfs/dbraw/zinc/06/64/12/344066412.db2.gz UGFHEQYPGJGDIG-VIFPVBQESA-N 1 2 248.273 1.270 20 0 BDADLO Cn1cc(CCNc2cc[nH+]cc2F)cn1 ZINC000641299871 362350809 /nfs/dbraw/zinc/35/08/09/362350809.db2.gz TXBZQMXKUXAZAM-UHFFFAOYSA-N 1 2 220.251 1.031 20 0 BDADLO Cc1cc(NC[C@H](O)CC(C)(C)C)nc[nH+]1 ZINC000227356197 344080094 /nfs/dbraw/zinc/08/00/94/344080094.db2.gz QVZRWIPRMNAKLY-SNVBAGLBSA-N 1 2 223.320 1.994 20 0 BDADLO Cn1nc(C2CC2)nc1C[NH+](C1CC1)C1CC1 ZINC000625840821 344091609 /nfs/dbraw/zinc/09/16/09/344091609.db2.gz BWHBOQWCZILHRA-UHFFFAOYSA-N 1 2 232.331 1.819 20 0 BDADLO COCCCCCNc1cc(CO)cc[nH+]1 ZINC000641321125 362362670 /nfs/dbraw/zinc/36/26/70/362362670.db2.gz UMIODFCVHSGASM-UHFFFAOYSA-N 1 2 224.304 1.224 20 0 BDADLO COc1cc[nH+]cc1NC(=O)/C=C/C1CC1 ZINC000079843535 344120043 /nfs/dbraw/zinc/12/00/43/344120043.db2.gz PVHMIHQEVXAPAI-SNAWJCMRSA-N 1 2 218.256 1.995 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628128959 344157059 /nfs/dbraw/zinc/15/70/59/344157059.db2.gz FDDUBJGYSXKHGC-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628128959 344157062 /nfs/dbraw/zinc/15/70/62/344157062.db2.gz FDDUBJGYSXKHGC-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628128958 344157431 /nfs/dbraw/zinc/15/74/31/344157431.db2.gz FDDUBJGYSXKHGC-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628128958 344157432 /nfs/dbraw/zinc/15/74/32/344157432.db2.gz FDDUBJGYSXKHGC-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(N[C@@H](C)CC[S@@](C)=O)nc[nH+]1 ZINC000130259474 344219930 /nfs/dbraw/zinc/21/99/30/344219930.db2.gz JZRPWWNRHWOGPO-AYVTZFPOSA-N 1 2 227.333 1.354 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCCC[C@@H]1C ZINC000588778816 344187912 /nfs/dbraw/zinc/18/79/12/344187912.db2.gz UQYWRLRDNWHHCP-NSHDSACASA-N 1 2 237.351 1.848 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCCC[C@@H]1C ZINC000588778816 344187914 /nfs/dbraw/zinc/18/79/14/344187914.db2.gz UQYWRLRDNWHHCP-NSHDSACASA-N 1 2 237.351 1.848 20 0 BDADLO CCC[C@@H](CCO)[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000631425764 344255013 /nfs/dbraw/zinc/25/50/13/344255013.db2.gz KJMIIYYNJAVJKR-JTQLQIEISA-N 1 2 233.315 1.948 20 0 BDADLO CN(C[C@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493683281 529966886 /nfs/dbraw/zinc/96/68/86/529966886.db2.gz KZESADIAIFTWSP-DOGVGXBMSA-N 1 2 235.287 1.060 20 0 BDADLO CC(=O)N1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000067715384 344285249 /nfs/dbraw/zinc/28/52/49/344285249.db2.gz QSSZAWNLPKBAEM-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO Cc1ccc(CCNc2ncncc2C)c[nH+]1 ZINC000641367550 362378790 /nfs/dbraw/zinc/37/87/90/362378790.db2.gz LWBGQHMNLYOEBF-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CCC[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641373691 362382038 /nfs/dbraw/zinc/38/20/38/362382038.db2.gz WIQHNVDMCHCQFJ-LBPRGKRZSA-N 1 2 224.304 1.537 20 0 BDADLO Cc1cnc(C(=O)N[C@H](C)c2[nH+]ccn2C)cn1 ZINC000620592784 344325890 /nfs/dbraw/zinc/32/58/90/344325890.db2.gz XXFIIOINWLBLCH-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](CC)C(=O)OC)OCC ZINC000600605259 344339035 /nfs/dbraw/zinc/33/90/35/344339035.db2.gz MEVCQTPBWLSFOG-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cc[nH+]cc1F ZINC000641371174 362380162 /nfs/dbraw/zinc/38/01/62/362380162.db2.gz ARVZWHTUKORFTR-GZMMTYOYSA-N 1 2 212.268 1.462 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCS1)c1[nH+]ccn1C ZINC000620603590 344353624 /nfs/dbraw/zinc/35/36/24/344353624.db2.gz LKOXNPBFVHRUHB-RKDXNWHRSA-N 1 2 239.344 1.493 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC2(C(F)F)CC2)C1 ZINC000574889540 344359948 /nfs/dbraw/zinc/35/99/48/344359948.db2.gz BSLDVZWUGGSUCZ-UHFFFAOYSA-N 1 2 232.274 1.242 20 0 BDADLO CC[C@H](C)[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641373050 362381439 /nfs/dbraw/zinc/38/14/39/362381439.db2.gz SFQGEXPBJLPSJA-GWCFXTLKSA-N 1 2 238.331 1.783 20 0 BDADLO CC[N@@H+](Cc1nccn1C)C[C@@H]1CCCO1 ZINC000102515286 344432685 /nfs/dbraw/zinc/43/26/85/344432685.db2.gz HXDVTKXFOLCSGE-NSHDSACASA-N 1 2 223.320 1.421 20 0 BDADLO CC[N@H+](Cc1nccn1C)C[C@@H]1CCCO1 ZINC000102515286 344432688 /nfs/dbraw/zinc/43/26/88/344432688.db2.gz HXDVTKXFOLCSGE-NSHDSACASA-N 1 2 223.320 1.421 20 0 BDADLO C[C@@H](CNc1cc(CO)cc[nH+]1)C[C@H](C)O ZINC000641389386 362388115 /nfs/dbraw/zinc/38/81/15/362388115.db2.gz NDYQJSWVWZMSQE-ZJUUUORDSA-N 1 2 224.304 1.393 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H](OC)C1CC1 ZINC000400228560 344435317 /nfs/dbraw/zinc/43/53/17/344435317.db2.gz QOOKGLCKJKGNON-VXGBXAGGSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@@H](CC[S@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603304802 349909858 /nfs/dbraw/zinc/90/98/58/349909858.db2.gz XLQUFZIXQKNFFB-FVMDXXJSSA-N 1 2 242.344 1.143 20 0 BDADLO CC(C)(CCO)CNc1cc(CO)cc[nH+]1 ZINC000641408894 362400939 /nfs/dbraw/zinc/40/09/39/362400939.db2.gz LSVNBKPQKJBRAD-UHFFFAOYSA-N 1 2 224.304 1.394 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@@H](CC)CO)n1 ZINC000345847680 344521012 /nfs/dbraw/zinc/52/10/12/344521012.db2.gz ZJKRXGQVHYUXKE-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@@H](CC)CO)n1 ZINC000345847680 344521014 /nfs/dbraw/zinc/52/10/14/344521014.db2.gz ZJKRXGQVHYUXKE-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000043628563 344529004 /nfs/dbraw/zinc/52/90/04/344529004.db2.gz QOPMVNSDGOVHOF-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043628563 344529007 /nfs/dbraw/zinc/52/90/07/344529007.db2.gz QOPMVNSDGOVHOF-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO CCOC(=O)C[C@@H](C)SCc1cn(C)c[nH+]1 ZINC000603314823 349912262 /nfs/dbraw/zinc/91/22/62/349912262.db2.gz BENXNUORTUPLOD-SECBINFHSA-N 1 2 242.344 1.995 20 0 BDADLO CC(=O)N1CCN(c2cc[nH+]cc2F)[C@@H](C)C1 ZINC000641439665 362420401 /nfs/dbraw/zinc/42/04/01/362420401.db2.gz KPKKKZVVJNQNOP-VIFPVBQESA-N 1 2 237.278 1.278 20 0 BDADLO C[C@]1(CNc2cc[nH+]cc2F)CCCC[C@@H]1O ZINC000641445581 362423738 /nfs/dbraw/zinc/42/37/38/362423738.db2.gz VXMNVDCUTZAZGB-QWHCGFSZSA-N 1 2 238.306 1.996 20 0 BDADLO Cc1nnc(SCc2cn(C)c[nH+]2)s1 ZINC000641446155 362423825 /nfs/dbraw/zinc/42/38/25/362423825.db2.gz ZZDCREDTZPPTNE-UHFFFAOYSA-N 1 2 226.330 1.872 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H]1COC ZINC000684093004 488266039 /nfs/dbraw/zinc/26/60/39/488266039.db2.gz ICDMGRRONWMSOE-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000641455830 362429927 /nfs/dbraw/zinc/42/99/27/362429927.db2.gz PZVFAYGDEJVGOC-CHWSQXEVSA-N 1 2 248.326 1.437 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@@H]1COC ZINC000684093004 488266042 /nfs/dbraw/zinc/26/60/42/488266042.db2.gz ICDMGRRONWMSOE-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641459123 362432177 /nfs/dbraw/zinc/43/21/77/362432177.db2.gz SJUKXZFIUSEBDY-PWSUYJOCSA-N 1 2 236.315 1.314 20 0 BDADLO Cc1cc(CNc2cc(CO)cc[nH+]2)ncn1 ZINC000641464854 362435699 /nfs/dbraw/zinc/43/56/99/362435699.db2.gz VVBDYLYIXQXHOR-UHFFFAOYSA-N 1 2 230.271 1.284 20 0 BDADLO COC(=O)C[C@H](C)SCc1ccc[nH+]c1N ZINC000603319733 349913973 /nfs/dbraw/zinc/91/39/73/349913973.db2.gz NJNSEQSVBHDRFP-QMMMGPOBSA-N 1 2 240.328 1.849 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C1(C)C ZINC000641426491 362411074 /nfs/dbraw/zinc/41/10/74/362411074.db2.gz QXMPHGVMMYHLJS-QWRGUYRKSA-N 1 2 236.315 1.799 20 0 BDADLO C[C@@H](CO[C@@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641428119 362411995 /nfs/dbraw/zinc/41/19/95/362411995.db2.gz DHHIHHJIKGIUTR-VHSXEESVSA-N 1 2 240.278 1.249 20 0 BDADLO Fc1c[nH+]ccc1N1CCC(n2ccnn2)CC1 ZINC000641475972 362448722 /nfs/dbraw/zinc/44/87/22/362448722.db2.gz WAALSEXWIJDGNK-UHFFFAOYSA-N 1 2 247.277 1.654 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)[C@@H]1CCCCO1 ZINC000641482459 362450082 /nfs/dbraw/zinc/45/00/82/362450082.db2.gz PMIUWZPYXHTLOY-JQWIXIFHSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@@H](O)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641484262 362452196 /nfs/dbraw/zinc/45/21/96/362452196.db2.gz LYDLBZSOGFMOQY-BDAKNGLRSA-N 1 2 210.252 1.428 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000641490745 362458546 /nfs/dbraw/zinc/45/85/46/362458546.db2.gz HURLZMHORNBRTK-CHWSQXEVSA-N 1 2 248.326 1.943 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@H](C3CC3)C2)c1 ZINC000641500548 362463164 /nfs/dbraw/zinc/46/31/64/362463164.db2.gz JAGPAMKTSMVSQZ-LBPRGKRZSA-N 1 2 234.299 1.189 20 0 BDADLO O=c1cc2c(n[nH]1)CCN(c1cc[nH+]cc1F)C2 ZINC000641499449 362463273 /nfs/dbraw/zinc/46/32/73/362463273.db2.gz YOPMNTOEMCHXKX-UHFFFAOYSA-N 1 2 246.245 1.279 20 0 BDADLO CC1(C)[C@H](Nc2cc[nH+]cc2F)C[C@@H]1O ZINC000641504576 362468057 /nfs/dbraw/zinc/46/80/57/362468057.db2.gz ZAKQNYFKYIMOOO-ZJUUUORDSA-N 1 2 210.252 1.214 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C2CC2)O1 ZINC000641546747 362493419 /nfs/dbraw/zinc/49/34/19/362493419.db2.gz YREYMVBLKPBDMT-ZWNOBZJWSA-N 1 2 248.326 1.578 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@]1(C)CCCO1 ZINC000094804766 537851336 /nfs/dbraw/zinc/85/13/36/537851336.db2.gz IUIASSIHIGMIKR-LBPRGKRZSA-N 1 2 247.302 1.344 20 0 BDADLO COCCO[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641536620 362486458 /nfs/dbraw/zinc/48/64/58/362486458.db2.gz QLIHHGIKDIROSU-JTQLQIEISA-N 1 2 240.278 1.462 20 0 BDADLO CS[C@H](CO)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603295363 349915171 /nfs/dbraw/zinc/91/51/71/349915171.db2.gz LCRKDLHPZQVULC-WCBMZHEXSA-N 1 2 242.344 1.098 20 0 BDADLO Cn1cnc(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000626028558 344681034 /nfs/dbraw/zinc/68/10/34/344681034.db2.gz OOCNQQWWWBTRPH-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cnc(C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000626028558 344681037 /nfs/dbraw/zinc/68/10/37/344681037.db2.gz OOCNQQWWWBTRPH-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1c[nH+]c(CN2CCc3c(O)cccc3C2)c1 ZINC000626028558 344681040 /nfs/dbraw/zinc/68/10/40/344681040.db2.gz OOCNQQWWWBTRPH-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000626006934 344665649 /nfs/dbraw/zinc/66/56/49/344665649.db2.gz OSZCKCCCLXDVTF-SECBINFHSA-N 1 2 230.308 1.704 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000626006934 344665650 /nfs/dbraw/zinc/66/56/50/344665650.db2.gz OSZCKCCCLXDVTF-SECBINFHSA-N 1 2 230.308 1.704 20 0 BDADLO Nc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ccn1 ZINC000626005080 344666897 /nfs/dbraw/zinc/66/68/97/344666897.db2.gz VABFKTNOKMEGHV-LLVKDONJSA-N 1 2 239.294 1.055 20 0 BDADLO Nc1cc(C[N@H+]2CCO[C@H](CCF)C2)ccn1 ZINC000626005080 344666898 /nfs/dbraw/zinc/66/68/98/344666898.db2.gz VABFKTNOKMEGHV-LLVKDONJSA-N 1 2 239.294 1.055 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)nc1 ZINC000626005229 344667363 /nfs/dbraw/zinc/66/73/63/344667363.db2.gz YFGZFZQKCYYUGL-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)nc1 ZINC000626005229 344667364 /nfs/dbraw/zinc/66/73/64/344667364.db2.gz YFGZFZQKCYYUGL-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cn1 ZINC000626005392 344667394 /nfs/dbraw/zinc/66/73/94/344667394.db2.gz BQDULRILYJIULU-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cn1 ZINC000626005392 344667395 /nfs/dbraw/zinc/66/73/95/344667395.db2.gz BQDULRILYJIULU-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000626005393 344667506 /nfs/dbraw/zinc/66/75/06/344667506.db2.gz BQDULRILYJIULU-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000626005393 344667509 /nfs/dbraw/zinc/66/75/09/344667509.db2.gz BQDULRILYJIULU-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccco1 ZINC000578023990 344686049 /nfs/dbraw/zinc/68/60/49/344686049.db2.gz KRMQBCGONZVJJK-SNVBAGLBSA-N 1 2 247.298 1.540 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccco1 ZINC000578023990 344686052 /nfs/dbraw/zinc/68/60/52/344686052.db2.gz KRMQBCGONZVJJK-SNVBAGLBSA-N 1 2 247.298 1.540 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)[nH]1 ZINC000626046614 344698046 /nfs/dbraw/zinc/69/80/46/344698046.db2.gz LBORKEYJJMWWTQ-AOOOYVTPSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)[nH]1 ZINC000626046614 344698048 /nfs/dbraw/zinc/69/80/48/344698048.db2.gz LBORKEYJJMWWTQ-AOOOYVTPSA-N 1 2 238.335 1.131 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000075290520 344769917 /nfs/dbraw/zinc/76/99/17/344769917.db2.gz WTYPIJBEMNGSKZ-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO O=C(C1CCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556028 344778997 /nfs/dbraw/zinc/77/89/97/344778997.db2.gz CHVMLDHJDBIAQR-LLVKDONJSA-N 1 2 233.315 1.916 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](O)CC)C(=O)OC ZINC000075748005 344779073 /nfs/dbraw/zinc/77/90/73/344779073.db2.gz DZKXUQPALWELAU-KOLCDFICSA-N 1 2 217.309 1.079 20 0 BDADLO CSC[C@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000603302361 349916449 /nfs/dbraw/zinc/91/64/49/349916449.db2.gz FBBFURYUBKRDAQ-JTQLQIEISA-N 1 2 242.344 1.100 20 0 BDADLO CCc1nnc(C[NH+]2C[C@@H](C)S[C@H](C)C2)o1 ZINC000075892863 344787231 /nfs/dbraw/zinc/78/72/31/344787231.db2.gz YTGIPGRGQQDJCC-RKDXNWHRSA-N 1 2 241.360 1.958 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC(C)C1 ZINC000623040383 347080067 /nfs/dbraw/zinc/08/00/67/347080067.db2.gz VSDGXUUXMDQOPW-HSOILSAZSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC(C)C1 ZINC000623040383 347080073 /nfs/dbraw/zinc/08/00/73/347080073.db2.gz VSDGXUUXMDQOPW-HSOILSAZSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@]1(C(=O)NCCNc2cccc[nH+]2)C[C@@H]1F ZINC000425149411 192077425 /nfs/dbraw/zinc/07/74/25/192077425.db2.gz WKMZZGSGDBEZON-JOYOIKCWSA-N 1 2 237.278 1.358 20 0 BDADLO OCC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000077468098 344819486 /nfs/dbraw/zinc/81/94/86/344819486.db2.gz RBTAGPHQIQKRCE-CYBMUJFWSA-N 1 2 231.299 1.623 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000425153155 192077676 /nfs/dbraw/zinc/07/76/76/192077676.db2.gz IXLLDMJEIGQLMW-YFKTTZPYSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@@H](NC(=O)C12CC(C1)C2)c1[nH+]ccn1C ZINC000628148971 344835658 /nfs/dbraw/zinc/83/56/58/344835658.db2.gz HQRICBBBQVZXSV-YDNLMGDJSA-N 1 2 219.288 1.397 20 0 BDADLO COCC[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000077408588 344823773 /nfs/dbraw/zinc/82/37/73/344823773.db2.gz JRPYMSJVJGFDHO-MRVPVSSYSA-N 1 2 225.292 1.586 20 0 BDADLO COCC[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000077408588 344823774 /nfs/dbraw/zinc/82/37/74/344823774.db2.gz JRPYMSJVJGFDHO-MRVPVSSYSA-N 1 2 225.292 1.586 20 0 BDADLO CCC1(O)CC[NH+](Cc2csnn2)CC1 ZINC000336684126 168500475 /nfs/dbraw/zinc/50/04/75/168500475.db2.gz JZSUGRGYRZOQEE-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000628157967 344852982 /nfs/dbraw/zinc/85/29/82/344852982.db2.gz BAYLDFAAABQNKB-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000628157967 344852984 /nfs/dbraw/zinc/85/29/84/344852984.db2.gz BAYLDFAAABQNKB-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO Cc1ncc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)o1 ZINC000628159420 344854966 /nfs/dbraw/zinc/85/49/66/344854966.db2.gz QFEAONJNDDIFOD-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ncc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)o1 ZINC000628159420 344854970 /nfs/dbraw/zinc/85/49/70/344854970.db2.gz QFEAONJNDDIFOD-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1[nH]c(CN(C)[C@@H]2CCOC2)[nH+]c1C ZINC000628163431 344866305 /nfs/dbraw/zinc/86/63/05/344866305.db2.gz BQBDFBQRZMZMIR-SNVBAGLBSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCOC2)[nH]c1C ZINC000628163431 344866306 /nfs/dbraw/zinc/86/63/06/344866306.db2.gz BQBDFBQRZMZMIR-SNVBAGLBSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCOC2)[nH]c1C ZINC000628163431 344866311 /nfs/dbraw/zinc/86/63/11/344866311.db2.gz BQBDFBQRZMZMIR-SNVBAGLBSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1nc(NC[C@@H](C)C(=O)OC(C)C)cc[nH+]1 ZINC000078511130 344880331 /nfs/dbraw/zinc/88/03/31/344880331.db2.gz DODXRVZQTIEHKR-SECBINFHSA-N 1 2 237.303 1.785 20 0 BDADLO CC[C@@H](SC)C(=O)Nc1cc[nH+]cc1O ZINC000153460773 344880923 /nfs/dbraw/zinc/88/09/23/344880923.db2.gz IVWLEXFMYTYUFX-SECBINFHSA-N 1 2 226.301 1.867 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567741394 323079980 /nfs/dbraw/zinc/07/99/80/323079980.db2.gz UCPPVWBDBBIWSF-NXEZZACHSA-N 1 2 237.303 1.318 20 0 BDADLO CCc1nc(C[NH2+][C@@H](CO)C(C)(C)C)no1 ZINC000330364055 344895730 /nfs/dbraw/zinc/89/57/30/344895730.db2.gz CPDBWQOXHOTZJM-QMMMGPOBSA-N 1 2 227.308 1.129 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000628176158 344900867 /nfs/dbraw/zinc/90/08/67/344900867.db2.gz YMHDENPUNVVCHI-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000628176158 344900868 /nfs/dbraw/zinc/90/08/68/344900868.db2.gz YMHDENPUNVVCHI-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(O)c1C ZINC000078997107 344930722 /nfs/dbraw/zinc/93/07/22/344930722.db2.gz FLFKNMZVPYRVPR-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO CCc1nc(C(=O)N2CC[NH+](C3CC3)CC2)co1 ZINC000133793193 344957447 /nfs/dbraw/zinc/95/74/47/344957447.db2.gz RVXGYTLSXLKFQT-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000583443259 344977321 /nfs/dbraw/zinc/97/73/21/344977321.db2.gz FTPJQEQXTUMXQK-GMTAPVOTSA-N 1 2 233.315 1.312 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cccnc2N(C)C)o1 ZINC000628202001 344975247 /nfs/dbraw/zinc/97/52/47/344975247.db2.gz DMCUXWGQLFWMOJ-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO COC(=O)C[N@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000079500118 344981120 /nfs/dbraw/zinc/98/11/20/344981120.db2.gz VUOSRPSWHJAYOR-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000079500118 344981122 /nfs/dbraw/zinc/98/11/22/344981122.db2.gz VUOSRPSWHJAYOR-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO Cc1cccnc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583446177 344991419 /nfs/dbraw/zinc/99/14/19/344991419.db2.gz RMXHSGWIXASZTK-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCCSCC2)C1 ZINC000561197470 345000988 /nfs/dbraw/zinc/00/09/88/345000988.db2.gz ZXNYIEFKDFHUJM-UHFFFAOYSA-N 1 2 242.388 1.294 20 0 BDADLO CC1(F)CN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000684249030 488281396 /nfs/dbraw/zinc/28/13/96/488281396.db2.gz SCWIVWPBMGTLPF-UHFFFAOYSA-N 1 2 240.282 1.027 20 0 BDADLO C[C@H](CCCO)CNc1cc(CO)cc[nH+]1 ZINC000641615151 362547209 /nfs/dbraw/zinc/54/72/09/362547209.db2.gz GOJMICPDJVFIKO-SNVBAGLBSA-N 1 2 224.304 1.394 20 0 BDADLO Cc1nccnc1CCNc1cc[nH+]cc1F ZINC000641615442 362548404 /nfs/dbraw/zinc/54/84/04/362548404.db2.gz HBRMLWQDHXJHSO-UHFFFAOYSA-N 1 2 232.262 1.396 20 0 BDADLO C[C@H](CCCCO)Nc1cc(CO)cc[nH+]1 ZINC000641615730 362548512 /nfs/dbraw/zinc/54/85/12/362548512.db2.gz GQAJAQDQGYACKH-SNVBAGLBSA-N 1 2 224.304 1.537 20 0 BDADLO CO[C@H](CNc1cc[nH+]cc1F)C1CC1 ZINC000641616956 362549905 /nfs/dbraw/zinc/54/99/05/362549905.db2.gz XYDRYDJNQIVWCI-LLVKDONJSA-N 1 2 210.252 1.480 20 0 BDADLO CO[C@@H]1COCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641617319 362550112 /nfs/dbraw/zinc/55/01/12/362550112.db2.gz FHCYMIHLKUDWPB-BXKDBHETSA-N 1 2 240.278 1.106 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CC23CCOCC3)c1 ZINC000641621009 362553236 /nfs/dbraw/zinc/55/32/36/362553236.db2.gz KMLBVXTUHXJLHT-NSHDSACASA-N 1 2 234.299 1.555 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010093751 323083317 /nfs/dbraw/zinc/08/33/17/323083317.db2.gz JWFOYMFFQRICCY-UHFFFAOYSA-N 1 2 224.329 1.242 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000010093751 323083318 /nfs/dbraw/zinc/08/33/18/323083318.db2.gz JWFOYMFFQRICCY-UHFFFAOYSA-N 1 2 224.329 1.242 20 0 BDADLO CSC[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000187945854 259381876 /nfs/dbraw/zinc/38/18/76/259381876.db2.gz YMBMJGKIZZAFSZ-MRVPVSSYSA-N 1 2 227.320 1.686 20 0 BDADLO CSC[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000187945854 259381877 /nfs/dbraw/zinc/38/18/77/259381877.db2.gz YMBMJGKIZZAFSZ-MRVPVSSYSA-N 1 2 227.320 1.686 20 0 BDADLO O[C@@H]1CCCCC[C@H]1Nc1cc[nH+]cc1F ZINC000641600088 362539124 /nfs/dbraw/zinc/53/91/24/362539124.db2.gz WTLSIVXRDFXCRJ-VXGBXAGGSA-N 1 2 224.279 1.748 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641601018 362539210 /nfs/dbraw/zinc/53/92/10/362539210.db2.gz AVXCOTJTMPFBSB-RKDXNWHRSA-N 1 2 210.277 1.409 20 0 BDADLO COCC[C@H](COC)Nc1cc[nH+]cc1F ZINC000641601840 362540558 /nfs/dbraw/zinc/54/05/58/362540558.db2.gz IZHPFQFTZPFDAZ-SECBINFHSA-N 1 2 228.267 1.106 20 0 BDADLO COC1(CNc2cc(CO)cc[nH+]2)CCCC1 ZINC000641613466 362545211 /nfs/dbraw/zinc/54/52/11/362545211.db2.gz UIMPOSHDOSPLKL-UHFFFAOYSA-N 1 2 236.315 1.945 20 0 BDADLO CC1(C)CN(c2cc[nH+]cc2F)C[C@@H](CO)O1 ZINC000641640020 362568322 /nfs/dbraw/zinc/56/83/22/362568322.db2.gz LEZMVAFTLDHFKA-VIFPVBQESA-N 1 2 240.278 1.197 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155772336 345102055 /nfs/dbraw/zinc/10/20/55/345102055.db2.gz JORUHJUTTJRKPS-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)c2ncnn21 ZINC000641656668 362581064 /nfs/dbraw/zinc/58/10/64/362581064.db2.gz KNPVPXUZKFBZPB-WCBMZHEXSA-N 1 2 245.286 1.283 20 0 BDADLO CO[C@H](CNc1cc[nH+]cc1F)[C@@H]1CCOC1 ZINC000641657186 362581481 /nfs/dbraw/zinc/58/14/81/362581481.db2.gz PLMNQENGLSREFD-BXKDBHETSA-N 1 2 240.278 1.106 20 0 BDADLO CC(C)(O)C(C)(C)CNc1cc[nH+]cc1F ZINC000641624528 362556501 /nfs/dbraw/zinc/55/65/01/362556501.db2.gz NCZYMLIWSWHSHX-UHFFFAOYSA-N 1 2 226.295 1.852 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2cc[nH+]cc2F)O1 ZINC000641626925 362556923 /nfs/dbraw/zinc/55/69/23/362556923.db2.gz IBOPYXDSHMNQLJ-BDAKNGLRSA-N 1 2 210.252 1.622 20 0 BDADLO CC(C)O[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641626911 362557133 /nfs/dbraw/zinc/55/71/33/362557133.db2.gz HMWCCUXNIKNPCH-TXEJJXNPSA-N 1 2 236.315 1.942 20 0 BDADLO CC1(C)COC[C@@H]1Nc1cc[nH+]cc1F ZINC000641628940 362559607 /nfs/dbraw/zinc/55/96/07/362559607.db2.gz HQKWFTFLVBWPOG-JTQLQIEISA-N 1 2 210.252 1.480 20 0 BDADLO CO[C@H]([C@H](C)Nc1cc[nH+]cc1F)C1CC1 ZINC000641631946 362563052 /nfs/dbraw/zinc/56/30/52/362563052.db2.gz YMSRUDDVTDUMEM-QPUJVOFHSA-N 1 2 224.279 1.868 20 0 BDADLO Nc1[nH+]cccc1CNc1cc(C2CC2)ncn1 ZINC000641631388 362563180 /nfs/dbraw/zinc/56/31/80/362563180.db2.gz BAVOPZIZVISVGY-UHFFFAOYSA-N 1 2 241.298 1.365 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccon2)cc(C)n1 ZINC000634983862 345167286 /nfs/dbraw/zinc/16/72/86/345167286.db2.gz ANMRIYDVASDXEI-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCc1nc(C[N@H+](C)CC2CCOCC2)no1 ZINC000156112467 345128970 /nfs/dbraw/zinc/12/89/70/345128970.db2.gz NTXXQIGMLUKTTP-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@@H+](C)CC2CCOCC2)no1 ZINC000156112467 345128972 /nfs/dbraw/zinc/12/89/72/345128972.db2.gz NTXXQIGMLUKTTP-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCn1nccc1CN(C)c1cccc[nH+]1 ZINC000425261432 192086149 /nfs/dbraw/zinc/08/61/49/192086149.db2.gz PZCQAXZTZLMVAT-UHFFFAOYSA-N 1 2 216.288 1.934 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccon1 ZINC000634957977 345131656 /nfs/dbraw/zinc/13/16/56/345131656.db2.gz DFEHFIZUKNVUDP-OLZOCXBDSA-N 1 2 230.267 1.423 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175028881 534988505 /nfs/dbraw/zinc/98/85/05/534988505.db2.gz PYZONXXARNBXQG-TUAOUCFPSA-N 1 2 242.363 1.351 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175028881 534988508 /nfs/dbraw/zinc/98/85/08/534988508.db2.gz PYZONXXARNBXQG-TUAOUCFPSA-N 1 2 242.363 1.351 20 0 BDADLO Cc1ccc(N[C@@H]2CCNC(=O)CC2)c[nH+]1 ZINC000634969669 345147123 /nfs/dbraw/zinc/14/71/23/345147123.db2.gz VDVZXXBGUZSQJD-JTQLQIEISA-N 1 2 219.288 1.471 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635064106 345234832 /nfs/dbraw/zinc/23/48/32/345234832.db2.gz QETXMTNKMUYDFY-HBNTYKKESA-N 1 2 233.315 1.772 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635064106 345234834 /nfs/dbraw/zinc/23/48/34/345234834.db2.gz QETXMTNKMUYDFY-HBNTYKKESA-N 1 2 233.315 1.772 20 0 BDADLO CCOCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635075646 345241056 /nfs/dbraw/zinc/24/10/56/345241056.db2.gz ADDABZVPVKIQII-UHFFFAOYSA-N 1 2 239.319 1.057 20 0 BDADLO O=C(Nc1ccccn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635182167 345265752 /nfs/dbraw/zinc/26/57/52/345265752.db2.gz AVBNIJYKYXFVPR-RKDXNWHRSA-N 1 2 228.255 1.547 20 0 BDADLO O=C(Nc1ccccn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635182167 345265756 /nfs/dbraw/zinc/26/57/56/345265756.db2.gz AVBNIJYKYXFVPR-RKDXNWHRSA-N 1 2 228.255 1.547 20 0 BDADLO CCN(CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635248256 345284872 /nfs/dbraw/zinc/28/48/72/345284872.db2.gz FUFWIZLWENHIBG-NXEZZACHSA-N 1 2 237.303 1.008 20 0 BDADLO CCN(CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635248256 345284874 /nfs/dbraw/zinc/28/48/74/345284874.db2.gz FUFWIZLWENHIBG-NXEZZACHSA-N 1 2 237.303 1.008 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CCC=CCC1 ZINC000635278361 345293268 /nfs/dbraw/zinc/29/32/68/345293268.db2.gz AVJZMZNNBMKIKI-UHFFFAOYSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(Nc1ccc(F)cn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635360317 345323008 /nfs/dbraw/zinc/32/30/08/345323008.db2.gz KDKZNXAFRFLXKU-RKDXNWHRSA-N 1 2 246.245 1.686 20 0 BDADLO O=C(Nc1ccc(F)cn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635360317 345323010 /nfs/dbraw/zinc/32/30/10/345323010.db2.gz KDKZNXAFRFLXKU-RKDXNWHRSA-N 1 2 246.245 1.686 20 0 BDADLO O=C(NCc1nccs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635336007 345311985 /nfs/dbraw/zinc/31/19/85/345311985.db2.gz UEDACLBUQODQTJ-HTQZYQBOSA-N 1 2 248.311 1.286 20 0 BDADLO O=C(NCc1nccs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635336007 345311986 /nfs/dbraw/zinc/31/19/86/345311986.db2.gz UEDACLBUQODQTJ-HTQZYQBOSA-N 1 2 248.311 1.286 20 0 BDADLO CCc1nnc(C[NH+]2CCC(COC)CC2)[nH]1 ZINC000158536627 345346484 /nfs/dbraw/zinc/34/64/84/345346484.db2.gz AVLVGJOKTKBNBE-UHFFFAOYSA-N 1 2 238.335 1.226 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ccnn2CC)[nH+]1 ZINC000635476888 345388201 /nfs/dbraw/zinc/38/82/01/345388201.db2.gz FMYUZENUUJNBPP-UHFFFAOYSA-N 1 2 247.302 1.370 20 0 BDADLO CC1(C)CN(c2cccc[nH+]2)C[C@@H](CO)O1 ZINC000158715364 345369824 /nfs/dbraw/zinc/36/98/24/345369824.db2.gz QYJJXUSWYUJKCO-JTQLQIEISA-N 1 2 222.288 1.058 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CC1CC1 ZINC000259816240 345378845 /nfs/dbraw/zinc/37/88/45/345378845.db2.gz WCKPMWCNBXBJQV-SNVBAGLBSA-N 1 2 229.345 1.377 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CC1CC1 ZINC000259816240 345378847 /nfs/dbraw/zinc/37/88/47/345378847.db2.gz WCKPMWCNBXBJQV-SNVBAGLBSA-N 1 2 229.345 1.377 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000158869757 345382895 /nfs/dbraw/zinc/38/28/95/345382895.db2.gz WQTLGGXFGNINMN-VIFPVBQESA-N 1 2 227.308 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000158869757 345382898 /nfs/dbraw/zinc/38/28/98/345382898.db2.gz WQTLGGXFGNINMN-VIFPVBQESA-N 1 2 227.308 1.081 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC(C)C ZINC000619433675 345383703 /nfs/dbraw/zinc/38/37/03/345383703.db2.gz KKWIXCGBHKEBPQ-UWVGGRQHSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC(C)C ZINC000619433675 345383704 /nfs/dbraw/zinc/38/37/04/345383704.db2.gz KKWIXCGBHKEBPQ-UWVGGRQHSA-N 1 2 217.284 1.618 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)CC2CC2)[nH+]1 ZINC000635378886 345334517 /nfs/dbraw/zinc/33/45/17/345334517.db2.gz YMBORBQSGZJGNZ-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO CC(C)c1nccc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000574893793 345437574 /nfs/dbraw/zinc/43/75/74/345437574.db2.gz NCEPIUVHAJEYLK-UHFFFAOYSA-N 1 2 231.303 1.960 20 0 BDADLO COCCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080949708 345454902 /nfs/dbraw/zinc/45/49/02/345454902.db2.gz JOSKYUNYMCDKBK-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO O[C@]1(C(F)(F)F)CCN(c2cccc[nH+]2)C1 ZINC000080700692 345444990 /nfs/dbraw/zinc/44/49/90/345444990.db2.gz OJJXTIABDQBOFU-SECBINFHSA-N 1 2 232.205 1.585 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](O)C2)[nH+]1 ZINC000080762538 345449203 /nfs/dbraw/zinc/44/92/03/345449203.db2.gz BRYJNNGLTFHNIJ-VIFPVBQESA-N 1 2 232.287 1.227 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cnc(C)nc2)[nH+]1 ZINC000635496371 345399078 /nfs/dbraw/zinc/39/90/78/345399078.db2.gz VWLBTAQIVWLZGA-UHFFFAOYSA-N 1 2 245.286 1.252 20 0 BDADLO Fc1c[nH+]ccc1NCCO[C@@H]1CC1(F)F ZINC000641659538 362583920 /nfs/dbraw/zinc/58/39/20/362583920.db2.gz QKAGIPBGYOCKHT-SECBINFHSA-N 1 2 232.205 1.479 20 0 BDADLO CN(C[C@@H]1COCCO1)c1cc[nH+]cc1F ZINC000641659013 362584437 /nfs/dbraw/zinc/58/44/37/362584437.db2.gz KFURJDDHFZGLBO-SECBINFHSA-N 1 2 226.251 1.072 20 0 BDADLO O=C1CC[C@@H]2CN(c3cc[nH+]cc3F)CC[C@@H]2N1 ZINC000641660271 362586720 /nfs/dbraw/zinc/58/67/20/362586720.db2.gz ZKHWUIICUFZDPA-KOLCDFICSA-N 1 2 249.289 1.326 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@]1(C)CO ZINC000641667916 362587854 /nfs/dbraw/zinc/58/78/54/362587854.db2.gz AWWMKIWBQRBBQA-JOYOIKCWSA-N 1 2 224.279 1.675 20 0 BDADLO COCc1cc(NC(C)(C)c2[nH]cc[nH+]2)ncn1 ZINC000641664751 362589337 /nfs/dbraw/zinc/58/93/37/362589337.db2.gz LTNGRGUAZOUGRW-UHFFFAOYSA-N 1 2 247.302 1.693 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000081005622 345461092 /nfs/dbraw/zinc/46/10/92/345461092.db2.gz BHAVMFKKWHUSKE-GXSJLCMTSA-N 1 2 246.314 1.839 20 0 BDADLO CCC(CC)(CC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081453864 345475111 /nfs/dbraw/zinc/47/51/11/345475111.db2.gz KVFPOXWOJXGHIJ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCC(CC)(CC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081453864 345475113 /nfs/dbraw/zinc/47/51/13/345475113.db2.gz KVFPOXWOJXGHIJ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1ccc[nH]1 ZINC000136174618 345484863 /nfs/dbraw/zinc/48/48/63/345484863.db2.gz PZAZHSLZMGIZNI-UHFFFAOYSA-N 1 2 244.298 1.642 20 0 BDADLO C[S@](=O)CCCNc1cc[nH+]c2ccncc12 ZINC000085686496 345528980 /nfs/dbraw/zinc/52/89/80/345528980.db2.gz SUEAMINAZWAZOM-QGZVFWFLSA-N 1 2 249.339 1.810 20 0 BDADLO O=C(NCC(F)(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000170030688 345531736 /nfs/dbraw/zinc/53/17/36/345531736.db2.gz XULYZVGZKPXJSR-ZETCQYMHSA-N 1 2 247.220 1.124 20 0 BDADLO CCCCN(CCCO)c1cc(C)[nH+]cn1 ZINC000089266033 345552987 /nfs/dbraw/zinc/55/29/87/345552987.db2.gz HSVQRSBNKSZFFC-UHFFFAOYSA-N 1 2 223.320 1.774 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC3(CC3)CC2)[nH+]1 ZINC000635544481 345558225 /nfs/dbraw/zinc/55/82/25/345558225.db2.gz IXTUGQYXAPFBLL-UHFFFAOYSA-N 1 2 247.342 1.917 20 0 BDADLO Cc1cc(C(=O)NC[C@@H](C)CO)c2[nH+]ccn2c1 ZINC000626129465 345572087 /nfs/dbraw/zinc/57/20/87/345572087.db2.gz LHSHFCUIPFLJBR-SNVBAGLBSA-N 1 2 247.298 1.001 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ncn(C)n1)c1cccnc1 ZINC000091410013 345592017 /nfs/dbraw/zinc/59/20/17/345592017.db2.gz ZSWFSYPROOCOAB-CYBMUJFWSA-N 1 2 245.330 1.697 20 0 BDADLO C[C@H]1CCC[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091581521 345599554 /nfs/dbraw/zinc/59/95/54/345599554.db2.gz CQJACWKIZKPJSJ-IUCAKERBSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@H]1CCC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091581521 345599555 /nfs/dbraw/zinc/59/95/55/345599555.db2.gz CQJACWKIZKPJSJ-IUCAKERBSA-N 1 2 224.308 1.109 20 0 BDADLO CCSCC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091623540 345600911 /nfs/dbraw/zinc/60/09/11/345600911.db2.gz PGWWXVBZOCRTRE-MRVPVSSYSA-N 1 2 244.364 1.062 20 0 BDADLO CCSCC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091623540 345600912 /nfs/dbraw/zinc/60/09/12/345600912.db2.gz PGWWXVBZOCRTRE-MRVPVSSYSA-N 1 2 244.364 1.062 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000092738537 345637410 /nfs/dbraw/zinc/63/74/10/345637410.db2.gz FVIKBBKFWPKYSE-YUMQZZPRSA-N 1 2 222.244 1.151 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@@H]2C)s1 ZINC000091800508 345610591 /nfs/dbraw/zinc/61/05/91/345610591.db2.gz AOPJEFUOJFRZOM-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@@H]2C)s1 ZINC000091800508 345610593 /nfs/dbraw/zinc/61/05/93/345610593.db2.gz AOPJEFUOJFRZOM-VIFPVBQESA-N 1 2 226.345 1.926 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)CC[S@@](=O)C1 ZINC000603361513 349933071 /nfs/dbraw/zinc/93/30/71/349933071.db2.gz ZOZPSDIRULBAOA-XXFAHNHDSA-N 1 2 242.319 1.426 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCO[C@H]2C)cc[nH+]1 ZINC000092447751 345620529 /nfs/dbraw/zinc/62/05/29/345620529.db2.gz FRHXLLBAIKSSLL-ONGXEEELSA-N 1 2 220.272 1.754 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000093323595 345651811 /nfs/dbraw/zinc/65/18/11/345651811.db2.gz SLBIKGPENFRPER-JTQLQIEISA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000093323595 345651814 /nfs/dbraw/zinc/65/18/14/345651814.db2.gz SLBIKGPENFRPER-JTQLQIEISA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000093323564 345651970 /nfs/dbraw/zinc/65/19/70/345651970.db2.gz WPOFAGQSPJGEBM-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000093323564 345651974 /nfs/dbraw/zinc/65/19/74/345651974.db2.gz WPOFAGQSPJGEBM-SNVBAGLBSA-N 1 2 225.288 1.971 20 0 BDADLO O[C@@H](CCNc1cc[nH+]cc1F)C(F)F ZINC000641681230 362603117 /nfs/dbraw/zinc/60/31/17/362603117.db2.gz DFDSVYITPBMKAI-QMMMGPOBSA-N 1 2 220.194 1.071 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000093401821 345669946 /nfs/dbraw/zinc/66/99/46/345669946.db2.gz ZGJYZTLMPMAJPB-CABZTGNLSA-N 1 2 249.314 1.625 20 0 BDADLO C[C@H]1C[C@H]1Cn1cc[nH+]c1CN1CCOCC1 ZINC000641728416 362648701 /nfs/dbraw/zinc/64/87/01/362648701.db2.gz SGPXNELVABNQPS-RYUDHWBXSA-N 1 2 235.331 1.371 20 0 BDADLO CC(=O)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000096646552 345687518 /nfs/dbraw/zinc/68/75/18/345687518.db2.gz RBKIAJGDDQOCIA-UHFFFAOYSA-N 1 2 246.310 1.277 20 0 BDADLO c1cc(C[NH2+]CCOCC2CCC2)[nH]n1 ZINC000389605535 537906987 /nfs/dbraw/zinc/90/69/87/537906987.db2.gz BLVPLVOROAIXND-UHFFFAOYSA-N 1 2 209.293 1.316 20 0 BDADLO COC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000223672806 345749354 /nfs/dbraw/zinc/74/93/54/345749354.db2.gz ULDYCGHDKMDJDF-UHFFFAOYSA-N 1 2 207.277 1.400 20 0 BDADLO COC(=O)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000082791781 345759857 /nfs/dbraw/zinc/75/98/57/345759857.db2.gz LYFZZMVDWCMOST-UHFFFAOYSA-N 1 2 235.283 1.226 20 0 BDADLO COC(=O)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000082791781 345759860 /nfs/dbraw/zinc/75/98/60/345759860.db2.gz LYFZZMVDWCMOST-UHFFFAOYSA-N 1 2 235.283 1.226 20 0 BDADLO CCC(CC)CN(CC)c1nc(C)[nH+]c(N)n1 ZINC000393850967 345719861 /nfs/dbraw/zinc/71/98/61/345719861.db2.gz RORTZAWJUDSOIA-UHFFFAOYSA-N 1 2 237.351 1.855 20 0 BDADLO CCC(CC)CN(CC)c1nc(N)nc(C)[nH+]1 ZINC000393850967 345719866 /nfs/dbraw/zinc/71/98/66/345719866.db2.gz RORTZAWJUDSOIA-UHFFFAOYSA-N 1 2 237.351 1.855 20 0 BDADLO Cc1cncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000140852818 345823834 /nfs/dbraw/zinc/82/38/34/345823834.db2.gz WNDKIDOKHWTSSX-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H]1CCOC1 ZINC000220831363 323096196 /nfs/dbraw/zinc/09/61/96/323096196.db2.gz ZXFNGZSGWLOUFO-SNVBAGLBSA-N 1 2 222.288 1.929 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(F)cn1 ZINC000389820116 537914154 /nfs/dbraw/zinc/91/41/54/537914154.db2.gz CCVUPYBAYSZYCE-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO Cc1ncccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635634245 345908743 /nfs/dbraw/zinc/90/87/43/345908743.db2.gz CTASYEIFJXPMPF-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1ncccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635634245 345908745 /nfs/dbraw/zinc/90/87/45/345908745.db2.gz CTASYEIFJXPMPF-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635669342 345969770 /nfs/dbraw/zinc/96/97/70/345969770.db2.gz GEKRMVJRHLDTKF-HBNTYKKESA-N 1 2 233.315 1.772 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635669342 345969774 /nfs/dbraw/zinc/96/97/74/345969774.db2.gz GEKRMVJRHLDTKF-HBNTYKKESA-N 1 2 233.315 1.772 20 0 BDADLO Cc1cn2ccc(C(=O)NC[C@@H](C)CO)cc2[nH+]1 ZINC000635693010 345978285 /nfs/dbraw/zinc/97/82/85/345978285.db2.gz VWUSBZWHKCNKGX-SECBINFHSA-N 1 2 247.298 1.001 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635770298 346059700 /nfs/dbraw/zinc/05/97/00/346059700.db2.gz LYRCSFSTOMKRLN-CKYFFXLPSA-N 1 2 233.315 1.770 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635770298 346059704 /nfs/dbraw/zinc/05/97/04/346059704.db2.gz LYRCSFSTOMKRLN-CKYFFXLPSA-N 1 2 233.315 1.770 20 0 BDADLO Cc1[nH]c(CNC(CF)CF)[nH+]c1C ZINC000570987202 323103133 /nfs/dbraw/zinc/10/31/33/323103133.db2.gz YMZUSBKVPKUOMV-UHFFFAOYSA-N 1 2 203.236 1.424 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CCC[C@H]21 ZINC000635823799 346078351 /nfs/dbraw/zinc/07/83/51/346078351.db2.gz VOKHJDCFTMWKBS-PRULPYPASA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CCC[C@H]21 ZINC000635823799 346078353 /nfs/dbraw/zinc/07/83/53/346078353.db2.gz VOKHJDCFTMWKBS-PRULPYPASA-N 1 2 245.326 1.914 20 0 BDADLO CC[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOC1 ZINC000635847597 346089521 /nfs/dbraw/zinc/08/95/21/346089521.db2.gz AFJVNQWNVIELLA-BREBYQMCSA-N 1 2 249.314 1.199 20 0 BDADLO CC[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOC1 ZINC000635847597 346089523 /nfs/dbraw/zinc/08/95/23/346089523.db2.gz AFJVNQWNVIELLA-BREBYQMCSA-N 1 2 249.314 1.199 20 0 BDADLO Cc1[nH]cnc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000635791233 346063555 /nfs/dbraw/zinc/06/35/55/346063555.db2.gz FUQMBTNNFGEZRW-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635792451 346064135 /nfs/dbraw/zinc/06/41/35/346064135.db2.gz HIYFQKPKXZWDHT-WTBMIXGQSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635792451 346064138 /nfs/dbraw/zinc/06/41/38/346064138.db2.gz HIYFQKPKXZWDHT-WTBMIXGQSA-N 1 2 249.314 1.197 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCOC(C)C)[nH+]1 ZINC000635794976 346065599 /nfs/dbraw/zinc/06/55/99/346065599.db2.gz DKFRJFKYPQOHKR-UHFFFAOYSA-N 1 2 239.319 1.056 20 0 BDADLO CC(C)C[C@@H](C(=O)N[C@@H](C)CF)n1cc[nH+]c1 ZINC000635932519 346113393 /nfs/dbraw/zinc/11/33/93/346113393.db2.gz BGNUFMWSHNBBFM-QWRGUYRKSA-N 1 2 241.310 1.945 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635926439 346116575 /nfs/dbraw/zinc/11/65/75/346116575.db2.gz SSDHIPSCUXUJGX-JLIMGVALSA-N 1 2 219.288 1.428 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635926439 346116580 /nfs/dbraw/zinc/11/65/80/346116580.db2.gz SSDHIPSCUXUJGX-JLIMGVALSA-N 1 2 219.288 1.428 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000635952541 346122410 /nfs/dbraw/zinc/12/24/10/346122410.db2.gz UKQFZCGBXQZTRD-BDAKNGLRSA-N 1 2 239.319 1.384 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)F ZINC000635972223 346128634 /nfs/dbraw/zinc/12/86/34/346128634.db2.gz AYTOHRIMGHHNPM-PRJMDXOYSA-N 1 2 243.257 1.673 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)F ZINC000635972223 346128636 /nfs/dbraw/zinc/12/86/36/346128636.db2.gz AYTOHRIMGHHNPM-PRJMDXOYSA-N 1 2 243.257 1.673 20 0 BDADLO CC[C@H](O)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635955633 346131194 /nfs/dbraw/zinc/13/11/94/346131194.db2.gz VKINKFXWEBESBG-NSHDSACASA-N 1 2 247.298 1.143 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1[nH]cnc1C ZINC000635982686 346136192 /nfs/dbraw/zinc/13/61/92/346136192.db2.gz GBOCDYHNRCUSOI-VIFPVBQESA-N 1 2 247.302 1.426 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OC)c1 ZINC000151085314 346214701 /nfs/dbraw/zinc/21/47/01/346214701.db2.gz SWMDPNJMKDGDRG-CYBMUJFWSA-N 1 2 248.326 1.406 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OC)c1 ZINC000151085314 346214705 /nfs/dbraw/zinc/21/47/05/346214705.db2.gz SWMDPNJMKDGDRG-CYBMUJFWSA-N 1 2 248.326 1.406 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@@H]1O ZINC000167083242 346190884 /nfs/dbraw/zinc/19/08/84/346190884.db2.gz ZPHNYMIJJFPESY-GWCFXTLKSA-N 1 2 245.326 1.780 20 0 BDADLO CCc1cc(NC[C@](C)(O)[C@@H](C)CC)nc[nH+]1 ZINC000603393992 349945961 /nfs/dbraw/zinc/94/59/61/349945961.db2.gz LTOWLRKONSVQGV-GWCFXTLKSA-N 1 2 237.347 1.670 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC([C@H]3CCOC3)C2)n1 ZINC000628255416 346249392 /nfs/dbraw/zinc/24/93/92/346249392.db2.gz MARZHJCBSFDWLL-JTQLQIEISA-N 1 2 221.304 1.186 20 0 BDADLO COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000636139044 346331559 /nfs/dbraw/zinc/33/15/59/346331559.db2.gz KQXDMNGKMBWEFN-NXEZZACHSA-N 1 2 249.314 1.056 20 0 BDADLO COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000636139044 346331563 /nfs/dbraw/zinc/33/15/63/346331563.db2.gz KQXDMNGKMBWEFN-NXEZZACHSA-N 1 2 249.314 1.056 20 0 BDADLO CCn1c[nH+]cc1CNc1cccc2n[nH]nc21 ZINC000641757812 362686592 /nfs/dbraw/zinc/68/65/92/362686592.db2.gz FPMPWKAQTLQSRE-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO CCn1c[nH+]cc1CNc1cccc2[nH]nnc21 ZINC000641757812 362686598 /nfs/dbraw/zinc/68/65/98/362686598.db2.gz FPMPWKAQTLQSRE-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@@H](F)C2)cc[nH+]1 ZINC000679191196 488315570 /nfs/dbraw/zinc/31/55/70/488315570.db2.gz CDGUXGITAAYCID-SCZZXKLOSA-N 1 2 209.268 1.969 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@]23C[C@@H]2CCC3)[nH+]1 ZINC000636157555 346339456 /nfs/dbraw/zinc/33/94/56/346339456.db2.gz NFRVWMKEFRAYKW-ZANVPECISA-N 1 2 233.315 1.573 20 0 BDADLO Cc1cn2ccc(C(=O)N3C[C@@H]4C[C@@H]4C3)cc2[nH+]1 ZINC000636252732 346370003 /nfs/dbraw/zinc/37/00/03/346370003.db2.gz XEPAJPQNPQKTHY-TXEJJXNPSA-N 1 2 241.294 1.735 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccc(C)c1 ZINC000380187545 346378030 /nfs/dbraw/zinc/37/80/30/346378030.db2.gz VBSXRPBHXFBSIQ-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1cn2ccc(C(=O)NCC3COC3)cc2[nH+]1 ZINC000636288035 346379884 /nfs/dbraw/zinc/37/98/84/346379884.db2.gz OZKUWOMTHSNJCM-UHFFFAOYSA-N 1 2 245.282 1.019 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)o1 ZINC000636328290 346397810 /nfs/dbraw/zinc/39/78/10/346397810.db2.gz IEDMFTISEIWYGD-GHMZBOCLSA-N 1 2 245.282 1.731 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC000636328290 346397814 /nfs/dbraw/zinc/39/78/14/346397814.db2.gz IEDMFTISEIWYGD-GHMZBOCLSA-N 1 2 245.282 1.731 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCOC1 ZINC000170798461 346451756 /nfs/dbraw/zinc/45/17/56/346451756.db2.gz PXJHCUMUUDCJJF-SECBINFHSA-N 1 2 236.271 1.455 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1OC2CCC1CC2 ZINC000636407007 346482160 /nfs/dbraw/zinc/48/21/60/346482160.db2.gz OGWGRWNAPVONBS-UHFFFAOYSA-N 1 2 235.287 1.358 20 0 BDADLO COCC1(CC(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000401235884 346502644 /nfs/dbraw/zinc/50/26/44/346502644.db2.gz FNBAIXQBPNKPNA-UHFFFAOYSA-N 1 2 235.287 1.249 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186358711 346502982 /nfs/dbraw/zinc/50/29/82/346502982.db2.gz IQNRXCRVZHUGSX-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(CC2CC2)C1 ZINC000623041227 347098811 /nfs/dbraw/zinc/09/88/11/347098811.db2.gz CAPUIEPWLFDVKS-UHFFFAOYSA-N 1 2 219.288 1.142 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cnccn1 ZINC000580700285 346539944 /nfs/dbraw/zinc/53/99/44/346539944.db2.gz FUMCEIWGDFDXDN-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cnccn1 ZINC000580700285 346539946 /nfs/dbraw/zinc/53/99/46/346539946.db2.gz FUMCEIWGDFDXDN-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO COC(=O)CCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000577121834 365823226 /nfs/dbraw/zinc/82/32/26/365823226.db2.gz JNLHTZAUXQBCKQ-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO COC(=O)CCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000577121834 365823229 /nfs/dbraw/zinc/82/32/29/365823229.db2.gz JNLHTZAUXQBCKQ-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000124048000 179135179 /nfs/dbraw/zinc/13/51/79/179135179.db2.gz ZXEJLIDWXWXFHX-UHFFFAOYSA-N 1 2 231.259 1.435 20 0 BDADLO Cc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1C ZINC000088357783 179139237 /nfs/dbraw/zinc/13/92/37/179139237.db2.gz KZZZQFSSRAGMOX-LBPRGKRZSA-N 1 2 234.299 1.230 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1F ZINC000679252970 488325287 /nfs/dbraw/zinc/32/52/87/488325287.db2.gz CKVRKDUBLPCFSK-NXEZZACHSA-N 1 2 225.267 1.090 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1n[nH]c2ccccc12 ZINC000589636085 346721231 /nfs/dbraw/zinc/72/12/31/346721231.db2.gz YGRXOPNJNHEOPK-UHFFFAOYSA-N 1 2 246.314 1.179 20 0 BDADLO FCC(CF)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000577159119 365846551 /nfs/dbraw/zinc/84/65/51/365846551.db2.gz OYQUVDPBVSRDGG-UHFFFAOYSA-N 1 2 226.270 1.968 20 0 BDADLO CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000221621180 346695388 /nfs/dbraw/zinc/69/53/88/346695388.db2.gz BHHDQOLNFNMODS-LBPRGKRZSA-N 1 2 222.263 1.319 20 0 BDADLO COC(=O)[C@@]1(C)CN(c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000601212472 346698741 /nfs/dbraw/zinc/69/87/41/346698741.db2.gz MFUDOHRCRPVPSW-ZANVPECISA-N 1 2 249.314 1.420 20 0 BDADLO CC(C)CSCCC[N@@H+]1CCNC(=O)C1 ZINC000178573190 346699558 /nfs/dbraw/zinc/69/95/58/346699558.db2.gz OZOBMRRRBHMPOY-UHFFFAOYSA-N 1 2 230.377 1.198 20 0 BDADLO CC(C)CSCCC[N@H+]1CCNC(=O)C1 ZINC000178573190 346699561 /nfs/dbraw/zinc/69/95/61/346699561.db2.gz OZOBMRRRBHMPOY-UHFFFAOYSA-N 1 2 230.377 1.198 20 0 BDADLO Cc1cccc(OCC[N@@H+](C)[C@@H]2CCOC2=O)c1 ZINC000298109702 179166676 /nfs/dbraw/zinc/16/66/76/179166676.db2.gz XVYCABCLBFWMPQ-CYBMUJFWSA-N 1 2 249.310 1.621 20 0 BDADLO Cc1cccc(OCC[N@H+](C)[C@@H]2CCOC2=O)c1 ZINC000298109702 179166678 /nfs/dbraw/zinc/16/66/78/179166678.db2.gz XVYCABCLBFWMPQ-CYBMUJFWSA-N 1 2 249.310 1.621 20 0 BDADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)cc(C)n1 ZINC000518782825 347197697 /nfs/dbraw/zinc/19/76/97/347197697.db2.gz NSQSYAPZVMMQCE-UHFFFAOYSA-N 1 2 244.298 1.211 20 0 BDADLO OC[C@H](CNc1cccc[nH+]1)Cc1ccco1 ZINC000641849066 362786154 /nfs/dbraw/zinc/78/61/54/362786154.db2.gz STYXVPHOTNAJSB-NSHDSACASA-N 1 2 232.283 1.938 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccncc1C)C1CC1 ZINC000563052093 347214179 /nfs/dbraw/zinc/21/41/79/347214179.db2.gz DUHZNRYAKAFBKE-ZDUSSCGKSA-N 1 2 248.326 1.474 20 0 BDADLO Cc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC000186780289 347240642 /nfs/dbraw/zinc/24/06/42/347240642.db2.gz MYYMYQRULNSGKC-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO Cc1cnn(C)c1C[NH2+]CC(C)(F)F ZINC000382340408 347284616 /nfs/dbraw/zinc/28/46/16/347284616.db2.gz ZMYHGMPAMVXOQY-UHFFFAOYSA-N 1 2 203.236 1.473 20 0 BDADLO CC[C@@](C)([NH2+]CCOCC1CCC1)C(=O)OC ZINC000419223489 192106002 /nfs/dbraw/zinc/10/60/02/192106002.db2.gz DCKTZSZOLCACSS-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO CCN1CCC[N@H+](Cc2cccnc2)CC1=O ZINC000190175132 347322130 /nfs/dbraw/zinc/32/21/30/347322130.db2.gz HOWABMPNHIIHED-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCN1CCC[N@@H+](Cc2cccnc2)CC1=O ZINC000190175132 347322133 /nfs/dbraw/zinc/32/21/33/347322133.db2.gz HOWABMPNHIIHED-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000616920989 347450387 /nfs/dbraw/zinc/45/03/87/347450387.db2.gz AUJQVXZISKSOLC-GMTAPVOTSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000616920989 347450389 /nfs/dbraw/zinc/45/03/89/347450389.db2.gz AUJQVXZISKSOLC-GMTAPVOTSA-N 1 2 233.315 1.804 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616921347 347451507 /nfs/dbraw/zinc/45/15/07/347451507.db2.gz NSGUAZOBJMFUNF-KOLCDFICSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616921347 347451510 /nfs/dbraw/zinc/45/15/10/347451510.db2.gz NSGUAZOBJMFUNF-KOLCDFICSA-N 1 2 237.303 1.183 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CCCCC1 ZINC000616922065 347452635 /nfs/dbraw/zinc/45/26/35/347452635.db2.gz OFXLFEJHXGISLP-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CCCCC1 ZINC000616922065 347452636 /nfs/dbraw/zinc/45/26/36/347452636.db2.gz OFXLFEJHXGISLP-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCc1ccncc1 ZINC000616923539 347453293 /nfs/dbraw/zinc/45/32/93/347453293.db2.gz LMIXZJZQPNIGDJ-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCc1ccncc1 ZINC000616923539 347453294 /nfs/dbraw/zinc/45/32/94/347453294.db2.gz LMIXZJZQPNIGDJ-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO Cc1ncsc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923701 347454890 /nfs/dbraw/zinc/45/48/90/347454890.db2.gz QVOMXRUKQMQUBR-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO Cc1ncsc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923701 347454894 /nfs/dbraw/zinc/45/48/94/347454894.db2.gz QVOMXRUKQMQUBR-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)CCCC1 ZINC000616924465 347455087 /nfs/dbraw/zinc/45/50/87/347455087.db2.gz KULDJSIWGQWQKK-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)CCCC1 ZINC000616924465 347455089 /nfs/dbraw/zinc/45/50/89/347455089.db2.gz KULDJSIWGQWQKK-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO Cc1ccccc1-c1nc(C[N@H+](C)CCO)no1 ZINC000122957826 179238614 /nfs/dbraw/zinc/23/86/14/179238614.db2.gz FCNBCGQEMGNQNN-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO Cc1ccccc1-c1nc(C[N@@H+](C)CCO)no1 ZINC000122957826 179238618 /nfs/dbraw/zinc/23/86/18/179238618.db2.gz FCNBCGQEMGNQNN-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCS1 ZINC000616925529 347456878 /nfs/dbraw/zinc/45/68/78/347456878.db2.gz KMHNJXHIGWHSLI-SECBINFHSA-N 1 2 225.317 1.264 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCS1 ZINC000616925529 347456880 /nfs/dbraw/zinc/45/68/80/347456880.db2.gz KMHNJXHIGWHSLI-SECBINFHSA-N 1 2 225.317 1.264 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590732689 347493315 /nfs/dbraw/zinc/49/33/15/347493315.db2.gz ODABDOSJPGXCCK-UTUOFQBUSA-N 1 2 233.315 1.703 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000616925923 347458013 /nfs/dbraw/zinc/45/80/13/347458013.db2.gz VTMWDRTWXIDCCU-URLYPYJESA-N 1 2 219.288 1.414 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000616925923 347458015 /nfs/dbraw/zinc/45/80/15/347458015.db2.gz VTMWDRTWXIDCCU-URLYPYJESA-N 1 2 219.288 1.414 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CC(F)(F)C1 ZINC000616926495 347458448 /nfs/dbraw/zinc/45/84/48/347458448.db2.gz FGNJJPRFDXZLDP-UHFFFAOYSA-N 1 2 229.230 1.413 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CC(F)(F)C1 ZINC000616926495 347458453 /nfs/dbraw/zinc/45/84/53/347458453.db2.gz FGNJJPRFDXZLDP-UHFFFAOYSA-N 1 2 229.230 1.413 20 0 BDADLO Cc1[nH]c(=O)ccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926635 347458866 /nfs/dbraw/zinc/45/88/66/347458866.db2.gz JXNWYJOPLSSAMG-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO Cc1[nH]c(=O)ccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926635 347458867 /nfs/dbraw/zinc/45/88/67/347458867.db2.gz JXNWYJOPLSSAMG-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C)CCCOC1 ZINC000616927407 347460729 /nfs/dbraw/zinc/46/07/29/347460729.db2.gz IIXCUXDPTOUNTM-LBPRGKRZSA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)CCCOC1 ZINC000616927407 347460732 /nfs/dbraw/zinc/46/07/32/347460732.db2.gz IIXCUXDPTOUNTM-LBPRGKRZSA-N 1 2 237.303 1.185 20 0 BDADLO CS[C@@H](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590552023 347471039 /nfs/dbraw/zinc/47/10/39/347471039.db2.gz CZAIAOSSHPCMJA-QMMMGPOBSA-N 1 2 239.344 1.436 20 0 BDADLO CS[C@@H](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590552023 347471041 /nfs/dbraw/zinc/47/10/41/347471041.db2.gz CZAIAOSSHPCMJA-QMMMGPOBSA-N 1 2 239.344 1.436 20 0 BDADLO Cc1ccccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336600704 179248357 /nfs/dbraw/zinc/24/83/57/179248357.db2.gz KEYNBWSSZZTOIM-UHFFFAOYSA-N 1 2 241.294 1.848 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)NC(C)(C)C ZINC000198416016 347637171 /nfs/dbraw/zinc/63/71/71/347637171.db2.gz RLPIEGSLOQETMW-NSHDSACASA-N 1 2 249.358 1.779 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000198416016 347637173 /nfs/dbraw/zinc/63/71/73/347637173.db2.gz RLPIEGSLOQETMW-NSHDSACASA-N 1 2 249.358 1.779 20 0 BDADLO Cc1[nH]ncc1CNC(=O)CCCC[NH+](C)C ZINC000591445874 347662844 /nfs/dbraw/zinc/66/28/44/347662844.db2.gz IAWPUHFFBSWUBQ-UHFFFAOYSA-N 1 2 238.335 1.066 20 0 BDADLO CCCN(CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000349949132 537992367 /nfs/dbraw/zinc/99/23/67/537992367.db2.gz HJNVEIKGKUGCBE-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCCN(CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000349949132 537992375 /nfs/dbraw/zinc/99/23/75/537992375.db2.gz HJNVEIKGKUGCBE-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592169186 347747288 /nfs/dbraw/zinc/74/72/88/347747288.db2.gz MMBVFOJFTZHCQJ-KKZNHRDASA-N 1 2 247.360 1.048 20 0 BDADLO CC[N@H+](CCSC)Cc1nc(COC)no1 ZINC000592204443 347756838 /nfs/dbraw/zinc/75/68/38/347756838.db2.gz SMBYSUGOTMYHGE-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO CC[N@@H+](CCSC)Cc1nc(COC)no1 ZINC000592204443 347756840 /nfs/dbraw/zinc/75/68/40/347756840.db2.gz SMBYSUGOTMYHGE-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO CCc1nc(C[N@H+](CCO)CC(C)(C)C)no1 ZINC000592896028 347829408 /nfs/dbraw/zinc/82/94/08/347829408.db2.gz NZPGCDHMEUJSEN-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CCc1nc(C[N@@H+](CCO)CC(C)(C)C)no1 ZINC000592896028 347829409 /nfs/dbraw/zinc/82/94/09/347829409.db2.gz NZPGCDHMEUJSEN-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CC[C@H]([NH2+]CC1(OC)CCCCC1)C(=O)OC ZINC000319600800 259398979 /nfs/dbraw/zinc/39/89/79/259398979.db2.gz JKVYPXCSMRVFMF-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO CCOCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000577388179 365943162 /nfs/dbraw/zinc/94/31/62/365943162.db2.gz CQSXHAJVBHUMFN-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)C(=O)OC ZINC000593625057 347917512 /nfs/dbraw/zinc/91/75/12/347917512.db2.gz IMOCOTCQSZTZCI-SRVKXCTJSA-N 1 2 243.347 1.733 20 0 BDADLO O=C(NCc1cocn1)c1ccc2[nH+]ccn2c1 ZINC000593749042 347942405 /nfs/dbraw/zinc/94/24/05/347942405.db2.gz RQXVLVFWXFAZPP-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(F)F ZINC000577412283 365950137 /nfs/dbraw/zinc/95/01/37/365950137.db2.gz NEJMRZCVSKAAFE-CBAPKCEASA-N 1 2 245.273 1.748 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(F)F ZINC000577412283 365950140 /nfs/dbraw/zinc/95/01/40/365950140.db2.gz NEJMRZCVSKAAFE-CBAPKCEASA-N 1 2 245.273 1.748 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[S@@](=O)[C@H](C)C1 ZINC000577412441 365950208 /nfs/dbraw/zinc/95/02/08/365950208.db2.gz QOHPIZVXZDGWCF-JDNHERCYSA-N 1 2 239.344 1.051 20 0 BDADLO CCOC(=O)C[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000594045596 347988435 /nfs/dbraw/zinc/98/84/35/347988435.db2.gz ZWJNZWKEEGVGMU-MNOVXSKESA-N 1 2 229.320 1.487 20 0 BDADLO Cc1cc(CNC(=O)CCCn2cc[nH+]c2)[nH]n1 ZINC000603484998 349977971 /nfs/dbraw/zinc/97/79/71/349977971.db2.gz NWQMTFONJOTOTO-UHFFFAOYSA-N 1 2 247.302 1.011 20 0 BDADLO Cc1cc(CNC(=O)CCCn2cc[nH+]c2)n[nH]1 ZINC000603484998 349977972 /nfs/dbraw/zinc/97/79/72/349977972.db2.gz NWQMTFONJOTOTO-UHFFFAOYSA-N 1 2 247.302 1.011 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC2CCC2)CCC1=O ZINC000419275225 192111601 /nfs/dbraw/zinc/11/16/01/192111601.db2.gz SBRXWQBNAYLYTI-LLVKDONJSA-N 1 2 225.332 1.714 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC2CCC2)CCC1=O ZINC000419275225 192111602 /nfs/dbraw/zinc/11/16/02/192111602.db2.gz SBRXWQBNAYLYTI-LLVKDONJSA-N 1 2 225.332 1.714 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)C(=O)OC ZINC000594710217 348104241 /nfs/dbraw/zinc/10/42/41/348104241.db2.gz JLZVVNWMTSDNNK-MNOVXSKESA-N 1 2 236.315 1.726 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1C[C@H](OCC)C1)C(=O)OC ZINC000594722449 348107723 /nfs/dbraw/zinc/10/77/23/348107723.db2.gz QEDUCVCRIQCURQ-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000594931258 348140184 /nfs/dbraw/zinc/14/01/84/348140184.db2.gz MLEOPNLBLJEOSJ-MVWJERBFSA-N 1 2 234.299 2.000 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000594935020 348141212 /nfs/dbraw/zinc/14/12/12/348141212.db2.gz AZRNKZYJYRHIQV-BIIVOSGPSA-N 1 2 233.258 1.571 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000594935030 348141503 /nfs/dbraw/zinc/14/15/03/348141503.db2.gz AZRNKZYJYRHIQV-BWZBUEFSSA-N 1 2 233.258 1.571 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCC2(C)C)c1 ZINC000616208294 348143065 /nfs/dbraw/zinc/14/30/65/348143065.db2.gz XEPHCVJPMILNDI-LLVKDONJSA-N 1 2 235.331 1.515 20 0 BDADLO CSC[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594923718 348156235 /nfs/dbraw/zinc/15/62/35/348156235.db2.gz LOJPQKJWMJMWOP-QMMMGPOBSA-N 1 2 243.380 1.269 20 0 BDADLO Cc1c[nH]c(CN[C@@H](C)C(=O)OC(C)(C)C)[nH+]1 ZINC000594924760 348156860 /nfs/dbraw/zinc/15/68/60/348156860.db2.gz NEHGAAJGGRWWDD-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H](OC)C1CCC1 ZINC000595303676 348221302 /nfs/dbraw/zinc/22/13/02/348221302.db2.gz ANCHZWUPTUUCKO-JTQLQIEISA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1COC(C)(C)C1)C1CC1 ZINC000396567179 348255519 /nfs/dbraw/zinc/25/55/19/348255519.db2.gz CNHXCTVSRFSKLK-ZJUUUORDSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193720458 179376192 /nfs/dbraw/zinc/37/61/92/179376192.db2.gz ACXADYGNGHEIMT-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cccnc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000193720458 179376195 /nfs/dbraw/zinc/37/61/95/179376195.db2.gz ACXADYGNGHEIMT-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1CCCC1 ZINC000595526295 348271619 /nfs/dbraw/zinc/27/16/19/348271619.db2.gz JPXRNJFFPAXGNO-GFCCVEGCSA-N 1 2 229.320 1.080 20 0 BDADLO CC[C@](COC)([NH2+]CC1CC=CC1)C(=O)OC ZINC000595530818 348273081 /nfs/dbraw/zinc/27/30/81/348273081.db2.gz URUOTCNVAWIDLP-CYBMUJFWSA-N 1 2 241.331 1.510 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1nncn1C ZINC000419280117 192122313 /nfs/dbraw/zinc/12/23/13/192122313.db2.gz ONVGEIDJGDFRNI-NSHDSACASA-N 1 2 240.351 1.308 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1nncn1C ZINC000419280117 192122315 /nfs/dbraw/zinc/12/23/15/192122315.db2.gz ONVGEIDJGDFRNI-NSHDSACASA-N 1 2 240.351 1.308 20 0 BDADLO COC(=O)C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595807034 348348494 /nfs/dbraw/zinc/34/84/94/348348494.db2.gz HBXURRDMFNXRIJ-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595807034 348348496 /nfs/dbraw/zinc/34/84/96/348348496.db2.gz HBXURRDMFNXRIJ-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC=C(C)C ZINC000595770385 348335814 /nfs/dbraw/zinc/33/58/14/348335814.db2.gz RTIHKZNLBBKMJY-LLVKDONJSA-N 1 2 217.284 1.834 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC[C@H]1CCCO1 ZINC000595775073 348338157 /nfs/dbraw/zinc/33/81/57/348338157.db2.gz LNTJCIDPGRQHQL-PWSUYJOCSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCC[C@@H](C)O ZINC000595776156 348338759 /nfs/dbraw/zinc/33/87/59/348338759.db2.gz REVAMIIOKCPAGW-KOLCDFICSA-N 1 2 235.299 1.028 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC(C)(C)O ZINC000595776814 348338831 /nfs/dbraw/zinc/33/88/31/348338831.db2.gz SSQFNNVFDPPXSK-LLVKDONJSA-N 1 2 235.299 1.028 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)C12CC(C1)C2 ZINC000623487560 362911120 /nfs/dbraw/zinc/91/11/20/362911120.db2.gz HHYGOVRIGJZMMP-UHFFFAOYSA-N 1 2 241.294 1.751 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000595856215 348357601 /nfs/dbraw/zinc/35/76/01/348357601.db2.gz KVFNFUULPXFWNW-JGZJWPJOSA-N 1 2 238.287 1.366 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000595856215 348357604 /nfs/dbraw/zinc/35/76/04/348357604.db2.gz KVFNFUULPXFWNW-JGZJWPJOSA-N 1 2 238.287 1.366 20 0 BDADLO COC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821320 348363366 /nfs/dbraw/zinc/36/33/66/348363366.db2.gz DGGWKAXWMPNVMF-UHFFFAOYSA-N 1 2 239.315 1.050 20 0 BDADLO COC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821320 348363370 /nfs/dbraw/zinc/36/33/70/348363370.db2.gz DGGWKAXWMPNVMF-UHFFFAOYSA-N 1 2 239.315 1.050 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)CCC(F)(F)F ZINC000653533723 490163647 /nfs/dbraw/zinc/16/36/47/490163647.db2.gz BYAKDIZAHJEGKB-ZETCQYMHSA-N 1 2 248.252 1.834 20 0 BDADLO CC[C@H](Nc1cc(C#N)cnn1)c1[nH]cc[nH+]1 ZINC000396911554 349988632 /nfs/dbraw/zinc/98/86/32/349988632.db2.gz ILTASNLDUURTEX-VIFPVBQESA-N 1 2 228.259 1.056 20 0 BDADLO O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCCC1 ZINC000603555973 349991928 /nfs/dbraw/zinc/99/19/28/349991928.db2.gz GKYJBNCLVFSWOF-SNVBAGLBSA-N 1 2 246.301 1.586 20 0 BDADLO O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCCC1 ZINC000603555973 349991932 /nfs/dbraw/zinc/99/19/32/349991932.db2.gz GKYJBNCLVFSWOF-SNVBAGLBSA-N 1 2 246.301 1.586 20 0 BDADLO NC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000205073078 348446850 /nfs/dbraw/zinc/44/68/50/348446850.db2.gz IKKDIRHUSKJCSG-UHFFFAOYSA-N 1 2 244.298 1.265 20 0 BDADLO CC[C@H](Nc1ccc(C#N)nn1)c1[nH]cc[nH+]1 ZINC000396931857 349998681 /nfs/dbraw/zinc/99/86/81/349998681.db2.gz ASEBAVJSIQCZPK-VIFPVBQESA-N 1 2 228.259 1.056 20 0 BDADLO CC1(CSCCn2cc[nH+]c2)COC1 ZINC000596415105 348539012 /nfs/dbraw/zinc/53/90/12/348539012.db2.gz MJKBODDOYZGJPK-UHFFFAOYSA-N 1 2 212.318 1.653 20 0 BDADLO COC[C@@H]([NH2+][C@H]1CCCSCC1)C(=O)OC ZINC000597110973 348657918 /nfs/dbraw/zinc/65/79/18/348657918.db2.gz MSPYNFPQVQVPMI-VHSXEESVSA-N 1 2 247.360 1.050 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)C)CO1 ZINC000597142443 348661980 /nfs/dbraw/zinc/66/19/80/348661980.db2.gz QQDSZUZLADJSFV-HBNTYKKESA-N 1 2 229.320 1.484 20 0 BDADLO CSCC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597856640 348827512 /nfs/dbraw/zinc/82/75/12/348827512.db2.gz HYJILKPMZFBFCV-UHFFFAOYSA-N 1 2 241.360 1.757 20 0 BDADLO CSCC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597856640 348827515 /nfs/dbraw/zinc/82/75/15/348827515.db2.gz HYJILKPMZFBFCV-UHFFFAOYSA-N 1 2 241.360 1.757 20 0 BDADLO CSC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000597856105 348827716 /nfs/dbraw/zinc/82/77/16/348827716.db2.gz CMSWJNSDOJASBI-UHFFFAOYSA-N 1 2 225.317 1.264 20 0 BDADLO CSC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000597856105 348827720 /nfs/dbraw/zinc/82/77/20/348827720.db2.gz CMSWJNSDOJASBI-UHFFFAOYSA-N 1 2 225.317 1.264 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCc1ccoc1 ZINC000618474744 348860358 /nfs/dbraw/zinc/86/03/58/348860358.db2.gz SGDVBLYZOQKRML-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)n1cccn1 ZINC000264519351 179710605 /nfs/dbraw/zinc/71/06/05/179710605.db2.gz MCLQIDAZIRXIDD-SNVBAGLBSA-N 1 2 230.271 1.786 20 0 BDADLO CSC[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460756 348977376 /nfs/dbraw/zinc/97/73/76/348977376.db2.gz XFGLYVDIRGAVER-IUCAKERBSA-N 1 2 241.360 1.596 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000042978418 348989415 /nfs/dbraw/zinc/98/94/15/348989415.db2.gz FSCFYIZUESWLQU-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000042978418 348989419 /nfs/dbraw/zinc/98/94/19/348989419.db2.gz FSCFYIZUESWLQU-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO c1cn(CCc2c[nH]nn2)c(C2CC2)[nH+]1 ZINC000530129706 323202758 /nfs/dbraw/zinc/20/27/58/323202758.db2.gz LENGVHVOKUARHA-UHFFFAOYSA-N 1 2 203.249 1.121 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccccc1F ZINC000042977732 348992250 /nfs/dbraw/zinc/99/22/50/348992250.db2.gz NGWPYPYTCUQHDH-UHFFFAOYSA-N 1 2 210.252 1.004 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000042977732 348992253 /nfs/dbraw/zinc/99/22/53/348992253.db2.gz NGWPYPYTCUQHDH-UHFFFAOYSA-N 1 2 210.252 1.004 20 0 BDADLO COC[C@@H]1CCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000293193843 538022451 /nfs/dbraw/zinc/02/24/51/538022451.db2.gz UIYIRZYCXLSMCW-NSHDSACASA-N 1 2 247.342 1.889 20 0 BDADLO CSC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000598685894 349016615 /nfs/dbraw/zinc/01/66/15/349016615.db2.gz USFAUTILVLOYPM-QMMMGPOBSA-N 1 2 241.360 1.555 20 0 BDADLO CS[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598951202 349071508 /nfs/dbraw/zinc/07/15/08/349071508.db2.gz YOFPEAHDSTWHEY-BDAKNGLRSA-N 1 2 239.344 1.066 20 0 BDADLO CC[C@H](SC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598942423 349062619 /nfs/dbraw/zinc/06/26/19/349062619.db2.gz AGWIVGXIPPZGHH-SCZZXKLOSA-N 1 2 239.344 1.066 20 0 BDADLO C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)Cn1cc[nH+]c1 ZINC000421777151 192385424 /nfs/dbraw/zinc/38/54/24/192385424.db2.gz XMUFRCGHSJCJKR-YRGRVCCFSA-N 1 2 247.342 1.826 20 0 BDADLO COC(=O)C(C)(C)CCNc1c[nH]c[nH+]1 ZINC000308950174 349180452 /nfs/dbraw/zinc/18/04/52/349180452.db2.gz OUULAWKDEFHKOG-UHFFFAOYSA-N 1 2 211.265 1.411 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccncc1C ZINC000599465695 349191377 /nfs/dbraw/zinc/19/13/77/349191377.db2.gz OXBMSCBZNDWEHA-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccncc1C ZINC000599465695 349191379 /nfs/dbraw/zinc/19/13/79/349191379.db2.gz OXBMSCBZNDWEHA-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000249743943 349173320 /nfs/dbraw/zinc/17/33/20/349173320.db2.gz YWUSSKHGOGIIET-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000249743943 349173323 /nfs/dbraw/zinc/17/33/23/349173323.db2.gz YWUSSKHGOGIIET-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)c1nc(N[C@H](C)c2nncn2C)cc[nH+]1 ZINC000599508966 349213590 /nfs/dbraw/zinc/21/35/90/349213590.db2.gz IJMAXHPOKKSGEL-SECBINFHSA-N 1 2 246.318 1.324 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCO)CCCC(C)(C)C1 ZINC000599559303 349216905 /nfs/dbraw/zinc/21/69/05/349216905.db2.gz TYRVNBCSPGQCBU-GFCCVEGCSA-N 1 2 229.320 1.080 20 0 BDADLO Cc1cc(NCc2ccc3c(c2)CCO3)nc[nH+]1 ZINC000599830701 349261235 /nfs/dbraw/zinc/26/12/35/349261235.db2.gz SNYVJCVMNLYFOI-UHFFFAOYSA-N 1 2 241.294 1.754 20 0 BDADLO CC[C@H]([NH2+]CCc1cccc(C)n1)C(=O)OC ZINC000281097683 349337187 /nfs/dbraw/zinc/33/71/87/349337187.db2.gz WMMJQIDQARRUAO-LBPRGKRZSA-N 1 2 236.315 1.474 20 0 BDADLO C[C@](O)(CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000601748357 349339967 /nfs/dbraw/zinc/33/99/67/349339967.db2.gz PKDYPQRAMLFHET-ZDUSSCGKSA-N 1 2 233.315 1.349 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C)CCOCC2)c[nH+]1 ZINC000267817267 179883547 /nfs/dbraw/zinc/88/35/47/179883547.db2.gz PQJKHNVUVANFRB-UHFFFAOYSA-N 1 2 237.303 1.265 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC(F)(F)C2)c[nH+]1 ZINC000280854556 179884785 /nfs/dbraw/zinc/88/47/85/179884785.db2.gz XPGXQIOERFRKEV-QMMMGPOBSA-N 1 2 243.257 1.883 20 0 BDADLO COC(=O)c1cc(C)n(CCCn2cc[nH+]c2)n1 ZINC000601951483 349397382 /nfs/dbraw/zinc/39/73/82/349397382.db2.gz YNNMSFGXCOKNAU-UHFFFAOYSA-N 1 2 248.286 1.265 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccsc1 ZINC000334411008 538046550 /nfs/dbraw/zinc/04/65/50/538046550.db2.gz KUUXEBNCNHSFRR-UHFFFAOYSA-N 1 2 221.285 1.412 20 0 BDADLO Cc1nc(CN(C)c2cc[nH+]c(C(C)C)n2)no1 ZINC000302209328 179948946 /nfs/dbraw/zinc/94/89/46/179948946.db2.gz YAJMQTGISWUART-UHFFFAOYSA-N 1 2 247.302 1.928 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785242 350032766 /nfs/dbraw/zinc/03/27/66/350032766.db2.gz HFGONWDGDLKKRK-SCZZXKLOSA-N 1 2 215.256 1.929 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)o1 ZINC000311973954 350078268 /nfs/dbraw/zinc/07/82/68/350078268.db2.gz BTRITSOZZLPVSC-VIFPVBQESA-N 1 2 236.315 1.956 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCC(=O)[C@@H](C)C2)o1 ZINC000311973954 350078272 /nfs/dbraw/zinc/07/82/72/350078272.db2.gz BTRITSOZZLPVSC-VIFPVBQESA-N 1 2 236.315 1.956 20 0 BDADLO O=C(COC1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000603813521 350037864 /nfs/dbraw/zinc/03/78/64/350037864.db2.gz HKFNANCWEHSWQH-UHFFFAOYSA-N 1 2 249.314 1.226 20 0 BDADLO COC(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882880 350047983 /nfs/dbraw/zinc/04/79/83/350047983.db2.gz ZRQMPQRGFMOTKP-UHFFFAOYSA-N 1 2 233.271 1.698 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CCOC2)[nH+]1 ZINC000336735078 180024976 /nfs/dbraw/zinc/02/49/76/180024976.db2.gz LMTHSDVCTRSIBY-QMMMGPOBSA-N 1 2 218.260 1.467 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCCO[C@H](C)C2)no1 ZINC000329807248 180046998 /nfs/dbraw/zinc/04/69/98/180046998.db2.gz BIYFIUQEWSAEJI-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCCO[C@H](C)C2)no1 ZINC000329807248 180047000 /nfs/dbraw/zinc/04/70/00/180047000.db2.gz BIYFIUQEWSAEJI-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)no1 ZINC000329782349 180050541 /nfs/dbraw/zinc/05/05/41/180050541.db2.gz NVBPWAMVSVWYJN-ZKWXMUAHSA-N 1 2 238.291 1.536 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)no1 ZINC000336739918 180051135 /nfs/dbraw/zinc/05/11/35/180051135.db2.gz LUQSPRBPHORUCA-KHQFGBGNSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)no1 ZINC000329849661 180051680 /nfs/dbraw/zinc/05/16/80/180051680.db2.gz PZWNKPDHZFDXEZ-XROYCOCOSA-N 1 2 237.303 1.596 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2C[C@@H]2C)[nH+]1 ZINC000336780361 180058899 /nfs/dbraw/zinc/05/88/99/180058899.db2.gz RBSPXAHWUNXCOF-CBAPKCEASA-N 1 2 216.288 1.756 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(C)CC2)[nH+]1 ZINC000336671249 180060306 /nfs/dbraw/zinc/06/03/06/180060306.db2.gz AINIOYKBUMNTDO-UHFFFAOYSA-N 1 2 216.288 1.900 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CCCC2 ZINC000334144377 538056424 /nfs/dbraw/zinc/05/64/24/538056424.db2.gz UFVYBINMFZRKRX-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CCCC2 ZINC000334144377 538056432 /nfs/dbraw/zinc/05/64/32/538056432.db2.gz UFVYBINMFZRKRX-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO Cc1nc(NCC2(CO)CC2)c2c([nH+]1)CCCC2 ZINC000302091543 180068069 /nfs/dbraw/zinc/06/80/69/180068069.db2.gz MGXXSJZCQUFMTB-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1nc(NC2(CO)CCC2)c2c([nH+]1)CCCC2 ZINC000180449739 180068524 /nfs/dbraw/zinc/06/85/24/180068524.db2.gz ICDUQOHELPCWAG-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1[nH+]c2ccccn2c1CN1CC(F)C1 ZINC000335148401 180106702 /nfs/dbraw/zinc/10/67/02/180106702.db2.gz WIODBLWHMRTQQF-UHFFFAOYSA-N 1 2 219.263 1.796 20 0 BDADLO CC[C@H](CSC)N(C)c1nc(C)[nH+]c(N)n1 ZINC000304553339 350162277 /nfs/dbraw/zinc/16/22/77/350162277.db2.gz XSWMHZWJMUNFKZ-MRVPVSSYSA-N 1 2 241.364 1.340 20 0 BDADLO CC[C@H](CSC)N(C)c1nc(N)nc(C)[nH+]1 ZINC000304553339 350162280 /nfs/dbraw/zinc/16/22/80/350162280.db2.gz XSWMHZWJMUNFKZ-MRVPVSSYSA-N 1 2 241.364 1.340 20 0 BDADLO FC1(F)C[C@@H]1OCC[NH2+]Cc1csnn1 ZINC000668527632 490352427 /nfs/dbraw/zinc/35/24/27/490352427.db2.gz GXXHSUNQOQYNEV-ZETCQYMHSA-N 1 2 235.259 1.052 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)CF ZINC000288022241 180103444 /nfs/dbraw/zinc/10/34/44/180103444.db2.gz BVELFHFWMFWWDC-VIFPVBQESA-N 1 2 249.289 1.819 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccccc2O)c[nH+]1 ZINC000339280758 180130671 /nfs/dbraw/zinc/13/06/71/180130671.db2.gz IAKJWJGMBWYCOC-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)C2CCOCC2)c[nH+]1 ZINC000336377544 180132382 /nfs/dbraw/zinc/13/23/82/180132382.db2.gz SXEZWJWHYYOLKO-QMMMGPOBSA-N 1 2 237.303 1.263 20 0 BDADLO Cc1ncc(C[N@H+]2CCCN(C)C(=O)C2)s1 ZINC000375579053 180143611 /nfs/dbraw/zinc/14/36/11/180143611.db2.gz QWFTXFBHSDZDQG-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCN(C)C(=O)C2)s1 ZINC000375579053 180143614 /nfs/dbraw/zinc/14/36/14/180143614.db2.gz QWFTXFBHSDZDQG-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC(=O)[C@@H](C)C2)s1 ZINC000049693879 180139228 /nfs/dbraw/zinc/13/92/28/180139228.db2.gz MZAXSWFDHDIUIA-QMMMGPOBSA-N 1 2 224.329 1.862 20 0 BDADLO Cc1ncc(C[N@H+]2CCC(=O)[C@@H](C)C2)s1 ZINC000049693879 180139231 /nfs/dbraw/zinc/13/92/31/180139231.db2.gz MZAXSWFDHDIUIA-QMMMGPOBSA-N 1 2 224.329 1.862 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000338938935 180141140 /nfs/dbraw/zinc/14/11/40/180141140.db2.gz VFHGIFCKKIDQDV-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000338938935 180141142 /nfs/dbraw/zinc/14/11/42/180141142.db2.gz VFHGIFCKKIDQDV-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000336562292 180119148 /nfs/dbraw/zinc/11/91/48/180119148.db2.gz OUOFTVAMPWNMTF-SVGQVSJJSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC2CC2)C1 ZINC000359704339 180120745 /nfs/dbraw/zinc/12/07/45/180120745.db2.gz LKAJTJOHAYBEMS-GFCCVEGCSA-N 1 2 247.342 1.909 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2nccn2C)c(C)n1 ZINC000331117329 180172165 /nfs/dbraw/zinc/17/21/65/180172165.db2.gz MMYACWWEGNNPRB-SECBINFHSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3n[nH]cc3C2)s1 ZINC000163473355 180146722 /nfs/dbraw/zinc/14/67/22/180146722.db2.gz YEMDNPXYKNJHGW-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3n[nH]cc3C2)s1 ZINC000163473355 180146723 /nfs/dbraw/zinc/14/67/23/180146723.db2.gz YEMDNPXYKNJHGW-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1oc(C(C)C)nc1C ZINC000428447081 191073933 /nfs/dbraw/zinc/07/39/33/191073933.db2.gz NLPSSJUABYLPHC-UHFFFAOYSA-N 1 2 239.319 1.284 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1oc(C(C)C)nc1C ZINC000428447081 191073936 /nfs/dbraw/zinc/07/39/36/191073936.db2.gz NLPSSJUABYLPHC-UHFFFAOYSA-N 1 2 239.319 1.284 20 0 BDADLO OC[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(F)c1 ZINC000604768845 350185791 /nfs/dbraw/zinc/18/57/91/350185791.db2.gz RXVUQAOFRRQNOV-LBPRGKRZSA-N 1 2 235.262 1.372 20 0 BDADLO Cc1nc(N2CC[S@@](=O)CC[C@H]2C)cc[nH+]1 ZINC000369351149 180194226 /nfs/dbraw/zinc/19/42/26/180194226.db2.gz ZYKQCPIKGQUXOK-ABKXIKBNSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1nc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)cc[nH+]1 ZINC000293974357 180195173 /nfs/dbraw/zinc/19/51/73/180195173.db2.gz HYUJRWMFFTXKNV-UONOGXRCSA-N 1 2 245.326 1.933 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)no1 ZINC000054936376 180199903 /nfs/dbraw/zinc/19/99/03/180199903.db2.gz XQCRBTDSUODDQJ-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO Cc1nc(NC[C@H]2CCCOC2)cc[nH+]1 ZINC000054936014 180200016 /nfs/dbraw/zinc/20/00/16/180200016.db2.gz AZIXZVLRYZPCSP-SNVBAGLBSA-N 1 2 207.277 1.624 20 0 BDADLO Cc1nc(NC[C@H]2CC(=O)N(C3CC3)C2)cc[nH+]1 ZINC000272412128 180200114 /nfs/dbraw/zinc/20/01/14/180200114.db2.gz CNAXVBXDESFQOW-SNVBAGLBSA-N 1 2 246.314 1.208 20 0 BDADLO Cc1nc(NCCc2cn[nH]c2)cc[nH+]1 ZINC000291253759 180200193 /nfs/dbraw/zinc/20/01/93/180200193.db2.gz YOUNMPVWEIGHKG-UHFFFAOYSA-N 1 2 203.249 1.163 20 0 BDADLO Cc1nc(NC[C@@H](C)c2nncn2C)cc[nH+]1 ZINC000189963390 180200764 /nfs/dbraw/zinc/20/07/64/180200764.db2.gz VTBUHFATCWIXJA-MRVPVSSYSA-N 1 2 232.291 1.129 20 0 BDADLO Cc1nc(N[C@@H](C)c2ncnn2C)cc[nH+]1 ZINC000276925060 180203590 /nfs/dbraw/zinc/20/35/90/180203590.db2.gz PBXIMPNWDPZNCH-ZETCQYMHSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H]2CCO)cc[nH+]1 ZINC000275069815 180205033 /nfs/dbraw/zinc/20/50/33/180205033.db2.gz ZDLRVRIGMSSNIV-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@H]2C(N)=O)cc[nH+]1 ZINC000154046308 180206049 /nfs/dbraw/zinc/20/60/49/180206049.db2.gz ZPFIUUIAZWTGSS-ZJUUUORDSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH+]1 ZINC000087689637 180206057 /nfs/dbraw/zinc/20/60/57/180206057.db2.gz MMOTUYIUGFOGRM-BBBLOLIVSA-N 1 2 205.261 1.517 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@H](CO)C2)cc[nH+]1 ZINC000340980751 180182238 /nfs/dbraw/zinc/18/22/38/180182238.db2.gz YNEAAZOCLXZNSZ-NEPJUHHUSA-N 1 2 235.331 1.418 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000366448735 180185508 /nfs/dbraw/zinc/18/55/08/180185508.db2.gz DMIJRGGILQOAOT-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000366448735 180185509 /nfs/dbraw/zinc/18/55/09/180185509.db2.gz DMIJRGGILQOAOT-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1nc(NCC[NH+]2CCOCC2)sc1C ZINC000083532649 350237581 /nfs/dbraw/zinc/23/75/81/350237581.db2.gz QBECCRRQDQOBKX-UHFFFAOYSA-N 1 2 241.360 1.504 20 0 BDADLO CC[C@@](C)(C[NH2+]C(C)(C)C(=O)OC)OC ZINC000319099224 350263002 /nfs/dbraw/zinc/26/30/02/350263002.db2.gz WKMYIFJROKUUED-NSHDSACASA-N 1 2 217.309 1.343 20 0 BDADLO Cc1nccnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000214285511 180280714 /nfs/dbraw/zinc/28/07/14/180280714.db2.gz PWOGBLOFGZFBED-VIFPVBQESA-N 1 2 217.276 1.482 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]CC(=O)OC)C12CCC2 ZINC000083684684 350293817 /nfs/dbraw/zinc/29/38/17/350293817.db2.gz REXSFZGKCHLRBK-ZJUUUORDSA-N 1 2 227.304 1.097 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12C[C@H]1CCC2 ZINC000617217728 350388158 /nfs/dbraw/zinc/38/81/58/350388158.db2.gz DICREEOTQOWYLI-GIPNMCIBSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12C[C@H]1CCC2 ZINC000617217728 350388162 /nfs/dbraw/zinc/38/81/62/350388162.db2.gz DICREEOTQOWYLI-GIPNMCIBSA-N 1 2 233.315 1.647 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000334299575 180318566 /nfs/dbraw/zinc/31/85/66/180318566.db2.gz RDWFMZJVKPVSRU-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000334299575 180318569 /nfs/dbraw/zinc/31/85/69/180318569.db2.gz RDWFMZJVKPVSRU-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cncnc2)[C@@H]1C ZINC000126515209 490502477 /nfs/dbraw/zinc/50/24/77/490502477.db2.gz GYRCQHNMAURJKV-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cncnc2)[C@@H]1C ZINC000126515209 490502481 /nfs/dbraw/zinc/50/24/81/490502481.db2.gz GYRCQHNMAURJKV-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@H](NC(=O)N1CC=CC1)c1[nH+]ccn1C ZINC000637287586 350400233 /nfs/dbraw/zinc/40/02/33/350400233.db2.gz BGRXJPGPQWCPHZ-VIFPVBQESA-N 1 2 220.276 1.063 20 0 BDADLO Cc1ncsc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000345343556 180322659 /nfs/dbraw/zinc/32/26/59/180322659.db2.gz HQMPFCBCDCJFQR-SECBINFHSA-N 1 2 234.328 1.883 20 0 BDADLO Cc1nn(C)c(Cl)c1Cn1cc[nH+]c1 ZINC000037460321 180351370 /nfs/dbraw/zinc/35/13/70/180351370.db2.gz RPBNYHNBKIWTFF-UHFFFAOYSA-N 1 2 210.668 1.627 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1ccco1 ZINC000162134999 180373053 /nfs/dbraw/zinc/37/30/53/180373053.db2.gz CUACHUXSTNDKAM-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccco1 ZINC000162134999 180373054 /nfs/dbraw/zinc/37/30/54/180373054.db2.gz CUACHUXSTNDKAM-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CC[N@@H+](Cc1ncc(C)cn1)C[C@H]1CCCO1 ZINC000336694316 350450141 /nfs/dbraw/zinc/45/01/41/350450141.db2.gz JAJUDMVLOSXBSW-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CC[N@H+](Cc1ncc(C)cn1)C[C@H]1CCCO1 ZINC000336694316 350450143 /nfs/dbraw/zinc/45/01/43/350450143.db2.gz JAJUDMVLOSXBSW-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427987277 191104709 /nfs/dbraw/zinc/10/47/09/191104709.db2.gz AUEPSUGGSGRCQI-NSHDSACASA-N 1 2 235.331 1.894 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccsc2)nn1 ZINC000063152524 350573547 /nfs/dbraw/zinc/57/35/47/350573547.db2.gz YJJFVUNAKMGHHR-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO CCC(C)(C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000428672551 191109570 /nfs/dbraw/zinc/10/95/70/191109570.db2.gz MBGIIJKBSOQDQL-UHFFFAOYSA-N 1 2 237.351 1.516 20 0 BDADLO CCC(C)(C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000428672551 191109572 /nfs/dbraw/zinc/10/95/72/191109572.db2.gz MBGIIJKBSOQDQL-UHFFFAOYSA-N 1 2 237.351 1.516 20 0 BDADLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC(=O)N(C)C1 ZINC000443852877 191110473 /nfs/dbraw/zinc/11/04/73/191110473.db2.gz LVOUPMQYNCIZBQ-RYUDHWBXSA-N 1 2 222.332 1.710 20 0 BDADLO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC(=O)N(C)C1 ZINC000443852877 191110474 /nfs/dbraw/zinc/11/04/74/191110474.db2.gz LVOUPMQYNCIZBQ-RYUDHWBXSA-N 1 2 222.332 1.710 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C1CC1 ZINC000365702945 350579792 /nfs/dbraw/zinc/57/97/92/350579792.db2.gz GIGHOXFXTOFSAP-CYBMUJFWSA-N 1 2 247.342 1.989 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C1CC1 ZINC000365702945 350579794 /nfs/dbraw/zinc/57/97/94/350579794.db2.gz GIGHOXFXTOFSAP-CYBMUJFWSA-N 1 2 247.342 1.989 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1([S@](C)=O)CC1 ZINC000309537624 350709332 /nfs/dbraw/zinc/70/93/32/350709332.db2.gz FHHMZUWUVUIZJB-BCTVWOGZSA-N 1 2 241.360 1.280 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)CO ZINC000339627566 350769495 /nfs/dbraw/zinc/76/94/95/350769495.db2.gz JYVAVPHDIJLJPJ-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)CO ZINC000339627566 350769497 /nfs/dbraw/zinc/76/94/97/350769497.db2.gz JYVAVPHDIJLJPJ-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO Cc1nocc1C[NH2+][C@H](CCO)c1ccco1 ZINC000292750707 180510658 /nfs/dbraw/zinc/51/06/58/180510658.db2.gz BFLRHXPIISKFFN-LLVKDONJSA-N 1 2 236.271 1.789 20 0 BDADLO CCCCOCC[NH2+][C@@H](C)c1nc(C)no1 ZINC000336671862 350868116 /nfs/dbraw/zinc/86/81/16/350868116.db2.gz ASGMXFRFCRMZGR-VIFPVBQESA-N 1 2 227.308 1.845 20 0 BDADLO COC[C@@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000382581920 350882337 /nfs/dbraw/zinc/88/23/37/350882337.db2.gz WBYXMNNYRJGCCZ-AWEZNQCLSA-N 1 2 246.310 1.466 20 0 BDADLO C[C@@H]([NH2+]Cc1nccs1)[C@@H](O)C(F)(F)F ZINC000631236578 350891197 /nfs/dbraw/zinc/89/11/97/350891197.db2.gz ONXPOMGSTJPNPA-IYSWYEEDSA-N 1 2 240.250 1.544 20 0 BDADLO Clc1ccc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000398351814 351048435 /nfs/dbraw/zinc/04/84/35/351048435.db2.gz FQVWZVZPXFHWNQ-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO CC(C)CCn1cccc1C[NH2+]Cc1cnn[nH]1 ZINC000623577949 363009528 /nfs/dbraw/zinc/00/95/28/363009528.db2.gz NENXHLMFKRGBBH-UHFFFAOYSA-N 1 2 247.346 1.942 20 0 BDADLO CC(C)CCn1cccc1C[NH2+]Cc1c[nH]nn1 ZINC000623577949 363009532 /nfs/dbraw/zinc/00/95/32/363009532.db2.gz NENXHLMFKRGBBH-UHFFFAOYSA-N 1 2 247.346 1.942 20 0 BDADLO CSC1(C[NH2+]Cc2c[nH]nn2)CCC1 ZINC000398421872 351150633 /nfs/dbraw/zinc/15/06/33/351150633.db2.gz YTOQUXPIYCULGS-UHFFFAOYSA-N 1 2 212.322 1.180 20 0 BDADLO CSC1(C[NH2+]Cc2cn[nH]n2)CCC1 ZINC000398421872 351150636 /nfs/dbraw/zinc/15/06/36/351150636.db2.gz YTOQUXPIYCULGS-UHFFFAOYSA-N 1 2 212.322 1.180 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cccc2c1CCC2 ZINC000623578582 363011135 /nfs/dbraw/zinc/01/11/35/363011135.db2.gz OCVNOBNIQGYHEE-UHFFFAOYSA-N 1 2 228.299 1.583 20 0 BDADLO c1[nH]nnc1C[NH2+]Cc1cccc2c1CCC2 ZINC000623578582 363011136 /nfs/dbraw/zinc/01/11/36/363011136.db2.gz OCVNOBNIQGYHEE-UHFFFAOYSA-N 1 2 228.299 1.583 20 0 BDADLO c1n[nH]nc1C[NH2+]Cc1cccc2c1CCC2 ZINC000623578582 363011137 /nfs/dbraw/zinc/01/11/37/363011137.db2.gz OCVNOBNIQGYHEE-UHFFFAOYSA-N 1 2 228.299 1.583 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000623578360 363011286 /nfs/dbraw/zinc/01/12/86/363011286.db2.gz DYRLLPBYGZECPV-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO c1[nH]nnc1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000623578360 363011288 /nfs/dbraw/zinc/01/12/88/363011288.db2.gz DYRLLPBYGZECPV-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO c1n[nH]nc1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000623578360 363011292 /nfs/dbraw/zinc/01/12/92/363011292.db2.gz DYRLLPBYGZECPV-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cnn[nH]1 ZINC000623578632 363012104 /nfs/dbraw/zinc/01/21/04/363012104.db2.gz QPSRRDNXFWQIEP-UHFFFAOYSA-N 1 2 246.318 1.096 20 0 BDADLO C[C@@H]1c2cccn2CCN1CC[NH+]1CCOCC1 ZINC000070975798 351136946 /nfs/dbraw/zinc/13/69/46/351136946.db2.gz SIYVXGFEBORTQD-CYBMUJFWSA-N 1 2 249.358 1.197 20 0 BDADLO CCc1cnc(C[N@H+](C)CCOCCO)s1 ZINC000267006263 351297030 /nfs/dbraw/zinc/29/70/30/351297030.db2.gz FQTBZLPJXNHPML-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO CCc1cnc(C[N@@H+](C)CCOCCO)s1 ZINC000267006263 351297035 /nfs/dbraw/zinc/29/70/35/351297035.db2.gz FQTBZLPJXNHPML-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO Cc1nc(CN(C)Cc2[nH]c(C)c(C)[nH+]2)no1 ZINC000628352814 351316223 /nfs/dbraw/zinc/31/62/23/351316223.db2.gz VOQDGQMVLZVWTF-UHFFFAOYSA-N 1 2 235.291 1.350 20 0 BDADLO CCc1cc(CNc2cc(CC)[nH+]cn2)on1 ZINC000607355816 351329248 /nfs/dbraw/zinc/32/92/48/351329248.db2.gz VHLLNCLBHGOLNB-UHFFFAOYSA-N 1 2 232.287 1.623 20 0 BDADLO CO[C@@H](C)CNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631239188 351271369 /nfs/dbraw/zinc/27/13/69/351271369.db2.gz AVYRZWGEUCITHZ-VIFPVBQESA-N 1 2 248.330 1.950 20 0 BDADLO CC[C@@H](OC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265794260 351275247 /nfs/dbraw/zinc/27/52/47/351275247.db2.gz JCVOBFMXVRYDNF-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO CCc1ccnc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000271683443 351427610 /nfs/dbraw/zinc/42/76/10/351427610.db2.gz CGIQQWAEJWUFLO-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CCN1CC[N@H+](Cc2ccsc2)CC1=O ZINC000273375971 351524670 /nfs/dbraw/zinc/52/46/70/351524670.db2.gz FZKBPSODCJCTTD-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO CCN1CC[N@@H+](Cc2ccsc2)CC1=O ZINC000273375971 351524673 /nfs/dbraw/zinc/52/46/73/351524673.db2.gz FZKBPSODCJCTTD-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO CCN1CC[N@H+](Cc2ccccc2C)CC1=O ZINC000273419224 351528577 /nfs/dbraw/zinc/52/85/77/351528577.db2.gz JLJNISJCHIESMY-UHFFFAOYSA-N 1 2 232.327 1.659 20 0 BDADLO CCN1CC[N@@H+](Cc2ccccc2C)CC1=O ZINC000273419224 351528585 /nfs/dbraw/zinc/52/85/85/351528585.db2.gz JLJNISJCHIESMY-UHFFFAOYSA-N 1 2 232.327 1.659 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000088094551 351598511 /nfs/dbraw/zinc/59/85/11/351598511.db2.gz XJYFQDZAQWYRAC-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)o1 ZINC000088094551 351598517 /nfs/dbraw/zinc/59/85/17/351598517.db2.gz XJYFQDZAQWYRAC-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO CC1(C)C[N@H+](Cc2ccon2)CC[C@@H]1O ZINC000275446058 351599691 /nfs/dbraw/zinc/59/96/91/351599691.db2.gz LBDIQTQBJBTTEK-JTQLQIEISA-N 1 2 210.277 1.267 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccon2)CC[C@@H]1O ZINC000275446058 351599692 /nfs/dbraw/zinc/59/96/92/351599692.db2.gz LBDIQTQBJBTTEK-JTQLQIEISA-N 1 2 210.277 1.267 20 0 BDADLO CSC1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000577647145 366030296 /nfs/dbraw/zinc/03/02/96/366030296.db2.gz HQQJVJKTUPTJGF-UHFFFAOYSA-N 1 2 242.388 1.340 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(O)cc1O ZINC000380147932 366038350 /nfs/dbraw/zinc/03/83/50/366038350.db2.gz TZGGBRQDGNDGRX-UHFFFAOYSA-N 1 2 247.254 1.059 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000618860742 351745172 /nfs/dbraw/zinc/74/51/72/351745172.db2.gz QQJAOKLEEZCGCZ-VXGBXAGGSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)sn1 ZINC000637884416 351750104 /nfs/dbraw/zinc/75/01/04/351750104.db2.gz XGLMAOOGNSLNDB-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)sn1 ZINC000637884416 351750108 /nfs/dbraw/zinc/75/01/08/351750108.db2.gz XGLMAOOGNSLNDB-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO CCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000637888198 351754820 /nfs/dbraw/zinc/75/48/20/351754820.db2.gz AWHLXAHDPITZPL-UHFFFAOYSA-N 1 2 226.349 1.237 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000177948769 366071089 /nfs/dbraw/zinc/07/10/89/366071089.db2.gz IYPNJIABCPDWJZ-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000177948769 366071100 /nfs/dbraw/zinc/07/11/00/366071100.db2.gz IYPNJIABCPDWJZ-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000124548145 191143001 /nfs/dbraw/zinc/14/30/01/191143001.db2.gz QPHVKWQUXQCOCH-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000124548145 191143003 /nfs/dbraw/zinc/14/30/03/191143003.db2.gz QPHVKWQUXQCOCH-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO CC[N@H+](Cc1cnc(C)s1)[C@@H]1CCNC1=O ZINC000282233934 351927453 /nfs/dbraw/zinc/92/74/53/351927453.db2.gz FSBXXQNKVSRCGA-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1cnc(C)s1)[C@@H]1CCNC1=O ZINC000282233934 351927456 /nfs/dbraw/zinc/92/74/56/351927456.db2.gz FSBXXQNKVSRCGA-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+]1CCn2cnnc2C1)OC ZINC000638049969 351927497 /nfs/dbraw/zinc/92/74/97/351927497.db2.gz PTYWCRWMSHPKGQ-MNOVXSKESA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+]1CCn2cnnc2C1)OC ZINC000638049969 351927498 /nfs/dbraw/zinc/92/74/98/351927498.db2.gz PTYWCRWMSHPKGQ-MNOVXSKESA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000618870610 351936237 /nfs/dbraw/zinc/93/62/37/351936237.db2.gz KESGNRGUZQLKDE-YPMHNXCESA-N 1 2 247.342 1.750 20 0 BDADLO CCN1CC[N@H+](Cc2occc2C)[C@@H](C)C1=O ZINC000336516856 351888494 /nfs/dbraw/zinc/88/84/94/351888494.db2.gz AYXXMDKNYGSDAY-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[N@@H+](Cc2occc2C)[C@@H](C)C1=O ZINC000336516856 351888497 /nfs/dbraw/zinc/88/84/97/351888497.db2.gz AYXXMDKNYGSDAY-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO CC(C)C1(C[N@H+](C)Cc2nnc[nH]2)CC1 ZINC000638095657 351975481 /nfs/dbraw/zinc/97/54/81/351975481.db2.gz ATWULJFRKKUSCB-UHFFFAOYSA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)C1(C[N@@H+](C)Cc2nnc[nH]2)CC1 ZINC000638095657 351975482 /nfs/dbraw/zinc/97/54/82/351975482.db2.gz ATWULJFRKKUSCB-UHFFFAOYSA-N 1 2 208.309 1.673 20 0 BDADLO CCc1nc(N(CCO)C2CC2)cc(C)[nH+]1 ZINC000283774600 351983327 /nfs/dbraw/zinc/98/33/27/351983327.db2.gz PKAJBNGGGAJUHY-UHFFFAOYSA-N 1 2 221.304 1.309 20 0 BDADLO CC(C)N(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000373568382 187561417 /nfs/dbraw/zinc/56/14/17/187561417.db2.gz MIDRNDKBGKQQDU-LLVKDONJSA-N 1 2 247.342 1.845 20 0 BDADLO CSCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426202639 191145579 /nfs/dbraw/zinc/14/55/79/191145579.db2.gz WBNUKIHAIDSOQN-NSHDSACASA-N 1 2 244.404 1.538 20 0 BDADLO CSCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426202639 191145582 /nfs/dbraw/zinc/14/55/82/191145582.db2.gz WBNUKIHAIDSOQN-NSHDSACASA-N 1 2 244.404 1.538 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000287071944 352112476 /nfs/dbraw/zinc/11/24/76/352112476.db2.gz KEXRZJIUMLIHMY-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO CC[NH+]1CCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000289511048 352189207 /nfs/dbraw/zinc/18/92/07/352189207.db2.gz ALGWHLSLZMAYGF-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)C[C@H](C)OC ZINC000291144908 352263323 /nfs/dbraw/zinc/26/33/23/352263323.db2.gz YQZJFXNYSBKCRA-VIFPVBQESA-N 1 2 211.309 1.575 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)C[C@H](C)OC ZINC000291144908 352263324 /nfs/dbraw/zinc/26/33/24/352263324.db2.gz YQZJFXNYSBKCRA-VIFPVBQESA-N 1 2 211.309 1.575 20 0 BDADLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)[C@@H]1C1CC1 ZINC000291276825 352270902 /nfs/dbraw/zinc/27/09/02/352270902.db2.gz ZTTLTQMVROGUKN-CYBMUJFWSA-N 1 2 247.342 1.920 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1cccnc1 ZINC000216435228 259426689 /nfs/dbraw/zinc/42/66/89/259426689.db2.gz BZYMOUCHMDBIIT-PLNGDYQASA-N 1 2 242.282 1.477 20 0 BDADLO CC(C)N1CC[N@H+](Cc2ccsc2)CC1=O ZINC000272516594 187684380 /nfs/dbraw/zinc/68/43/80/187684380.db2.gz KHTSKZZDYUZLKT-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2ccsc2)CC1=O ZINC000272516594 187684381 /nfs/dbraw/zinc/68/43/81/187684381.db2.gz KHTSKZZDYUZLKT-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CC(C)N1CC[N@H+](CCc2cccnc2)CC1=O ZINC000272619744 187684550 /nfs/dbraw/zinc/68/45/50/187684550.db2.gz UPLSWSGWVKYPAH-UHFFFAOYSA-N 1 2 247.342 1.177 20 0 BDADLO CC(C)N1CC[N@@H+](CCc2cccnc2)CC1=O ZINC000272619744 187684552 /nfs/dbraw/zinc/68/45/52/187684552.db2.gz UPLSWSGWVKYPAH-UHFFFAOYSA-N 1 2 247.342 1.177 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000434479209 191189526 /nfs/dbraw/zinc/18/95/26/191189526.db2.gz XXKFKAVDNMLLKO-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000434479209 191189528 /nfs/dbraw/zinc/18/95/28/191189528.db2.gz XXKFKAVDNMLLKO-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)=CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283006333 187692155 /nfs/dbraw/zinc/69/21/55/187692155.db2.gz GXNCKDPNKSTRDI-AATRIKPKSA-N 1 2 219.288 1.895 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000411617499 191197844 /nfs/dbraw/zinc/19/78/44/191197844.db2.gz LKXUSYXJIDTDJR-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000411617499 191197846 /nfs/dbraw/zinc/19/78/46/191197846.db2.gz LKXUSYXJIDTDJR-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@H+](Cc3noc(C4CC4)n3)C[C@H]12 ZINC000252863091 538103513 /nfs/dbraw/zinc/10/35/13/538103513.db2.gz KXKHVLPHYCGJLR-GARJFASQSA-N 1 2 249.314 1.150 20 0 BDADLO CC(=O)CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332422073 187713088 /nfs/dbraw/zinc/71/30/88/187713088.db2.gz SOJCUMJWYMVXHI-SNVBAGLBSA-N 1 2 235.287 1.442 20 0 BDADLO CC1(C)C[N@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000296715075 352455158 /nfs/dbraw/zinc/45/51/58/352455158.db2.gz IXAFSZKRRRVHCI-SNVBAGLBSA-N 1 2 242.269 1.563 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000296715075 352455162 /nfs/dbraw/zinc/45/51/62/352455162.db2.gz IXAFSZKRRRVHCI-SNVBAGLBSA-N 1 2 242.269 1.563 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@@H+](Cc3noc(C4CC4)n3)C[C@H]12 ZINC000252863091 538103514 /nfs/dbraw/zinc/10/35/14/538103514.db2.gz KXKHVLPHYCGJLR-GARJFASQSA-N 1 2 249.314 1.150 20 0 BDADLO CC[C@H](NC(=O)[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000252982496 538104022 /nfs/dbraw/zinc/10/40/22/538104022.db2.gz WQZKQQPRCDVXDQ-VGMNWLOBSA-N 1 2 207.277 1.633 20 0 BDADLO C/C=C\CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638689321 352525139 /nfs/dbraw/zinc/52/51/39/352525139.db2.gz ISUBTOJFQQYMEZ-OTDNITJGSA-N 1 2 240.253 1.657 20 0 BDADLO CCO[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000608014510 352602200 /nfs/dbraw/zinc/60/22/00/352602200.db2.gz BDUSQOLIXICZFV-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000411848389 191217270 /nfs/dbraw/zinc/21/72/70/191217270.db2.gz NEVIUTPHYYVGNR-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000411848389 191217271 /nfs/dbraw/zinc/21/72/71/191217271.db2.gz NEVIUTPHYYVGNR-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000411848388 191217731 /nfs/dbraw/zinc/21/77/31/191217731.db2.gz NEVIUTPHYYVGNR-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000411848388 191217734 /nfs/dbraw/zinc/21/77/34/191217734.db2.gz NEVIUTPHYYVGNR-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCCCc1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000042623573 352623159 /nfs/dbraw/zinc/62/31/59/352623159.db2.gz KXLRIEFDUFZHIR-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000042623573 352623162 /nfs/dbraw/zinc/62/31/62/352623162.db2.gz KXLRIEFDUFZHIR-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCO[C@@H](CF)C1 ZINC000411859368 191222854 /nfs/dbraw/zinc/22/28/54/191222854.db2.gz OXHFWOFWOFLQTE-NSHDSACASA-N 1 2 241.310 1.634 20 0 BDADLO CN(C)c1ccc(NCCC[C@H]2CCO2)[nH+]c1 ZINC000638758860 352695407 /nfs/dbraw/zinc/69/54/07/352695407.db2.gz BTOVSWCSNNGFIW-LBPRGKRZSA-N 1 2 235.331 1.551 20 0 BDADLO CCc1noc(CC)c1C[NH2+]Cc1ncnn1C ZINC000638768016 352708349 /nfs/dbraw/zinc/70/83/49/352708349.db2.gz UFXVJNQZIGAKQW-UHFFFAOYSA-N 1 2 249.318 1.218 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000334181810 352770044 /nfs/dbraw/zinc/77/00/44/352770044.db2.gz BRANYJLFTKSUGC-CHWSQXEVSA-N 1 2 235.331 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000334181810 352770049 /nfs/dbraw/zinc/77/00/49/352770049.db2.gz BRANYJLFTKSUGC-CHWSQXEVSA-N 1 2 235.331 1.564 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000334192345 352783366 /nfs/dbraw/zinc/78/33/66/352783366.db2.gz IAERUHXANMAHOO-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000334192345 352783368 /nfs/dbraw/zinc/78/33/68/352783368.db2.gz IAERUHXANMAHOO-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000334205697 352800928 /nfs/dbraw/zinc/80/09/28/352800928.db2.gz VBKKBUAQCDIDMO-VHSXEESVSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000334205697 352800931 /nfs/dbraw/zinc/80/09/31/352800931.db2.gz VBKKBUAQCDIDMO-VHSXEESVSA-N 1 2 237.347 1.816 20 0 BDADLO O=C(c1cncs1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334232396 352850061 /nfs/dbraw/zinc/85/00/61/352850061.db2.gz MVXVUMLSYHWEAZ-QMMMGPOBSA-N 1 2 248.311 1.844 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@](C)(F)C1 ZINC000334259475 352871338 /nfs/dbraw/zinc/87/13/38/352871338.db2.gz UMEFJSJTOKISNI-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000334259475 352871343 /nfs/dbraw/zinc/87/13/43/352871343.db2.gz UMEFJSJTOKISNI-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@](C)(F)C1 ZINC000334259475 352871346 /nfs/dbraw/zinc/87/13/46/352871346.db2.gz UMEFJSJTOKISNI-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C(C)(C)C)C1 ZINC000334248526 352840602 /nfs/dbraw/zinc/84/06/02/352840602.db2.gz XQDBXDPNUYWCES-SNVBAGLBSA-N 1 2 242.363 1.258 20 0 BDADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C(C)(C)C)C1 ZINC000334248526 352840604 /nfs/dbraw/zinc/84/06/04/352840604.db2.gz XQDBXDPNUYWCES-SNVBAGLBSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H]3CCC[C@@H]32)n1C ZINC000334262965 352896380 /nfs/dbraw/zinc/89/63/80/352896380.db2.gz JIUFMTNWHWDMMF-ZJUUUORDSA-N 1 2 206.293 1.108 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H]3CCC[C@@H]32)n1C ZINC000334262965 352896381 /nfs/dbraw/zinc/89/63/81/352896381.db2.gz JIUFMTNWHWDMMF-ZJUUUORDSA-N 1 2 206.293 1.108 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOCC12CCC2 ZINC000334300665 352937728 /nfs/dbraw/zinc/93/77/28/352937728.db2.gz VECLDZBQOUBKDK-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1nocc1C[N@H+]1CCOCC12CCC2 ZINC000334300665 352937732 /nfs/dbraw/zinc/93/77/32/352937732.db2.gz VECLDZBQOUBKDK-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO CS[C@H]1CCCC[N@H+](Cc2c[nH]nn2)C1 ZINC000334369724 353017918 /nfs/dbraw/zinc/01/79/18/353017918.db2.gz UYZGWVSRZXIETP-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@H]1CCCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000334369724 353017919 /nfs/dbraw/zinc/01/79/19/353017919.db2.gz UYZGWVSRZXIETP-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@H]1CCCC[N@H+](Cc2cnn[nH]2)C1 ZINC000334369724 353017921 /nfs/dbraw/zinc/01/79/21/353017921.db2.gz UYZGWVSRZXIETP-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@H]1CCCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000334369724 353017924 /nfs/dbraw/zinc/01/79/24/353017924.db2.gz UYZGWVSRZXIETP-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@H]1CCCC[N@H+](Cc2cn[nH]n2)C1 ZINC000334369724 353017925 /nfs/dbraw/zinc/01/79/25/353017925.db2.gz UYZGWVSRZXIETP-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@H]1CCCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000334369724 353017926 /nfs/dbraw/zinc/01/79/26/353017926.db2.gz UYZGWVSRZXIETP-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nnn1C[C@@H]1CCOC1 ZINC000638914795 353073459 /nfs/dbraw/zinc/07/34/59/353073459.db2.gz WBOXTWICKAWWTM-LBPRGKRZSA-N 1 2 248.330 1.077 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nnn1C[C@@H]1CCOC1 ZINC000638914795 353073460 /nfs/dbraw/zinc/07/34/60/353073460.db2.gz WBOXTWICKAWWTM-LBPRGKRZSA-N 1 2 248.330 1.077 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOCC12CC2 ZINC000334468359 353116074 /nfs/dbraw/zinc/11/60/74/353116074.db2.gz XWOCSAYEGPZWJA-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CCn1nccc1C[N@H+]1CCOCC12CC2 ZINC000334468359 353116076 /nfs/dbraw/zinc/11/60/76/353116076.db2.gz XWOCSAYEGPZWJA-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO Cc1nc(NC(=O)NCc2[nH+]ccn2C)oc1C ZINC000334408020 353089767 /nfs/dbraw/zinc/08/97/67/353089767.db2.gz HRMJZULFSIFRKI-UHFFFAOYSA-N 1 2 249.274 1.347 20 0 BDADLO C[C@@H]1CC(NC(=O)Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000073907405 353137177 /nfs/dbraw/zinc/13/71/77/353137177.db2.gz SNKUWRYSNKMSPK-QWRGUYRKSA-N 1 2 235.331 1.824 20 0 BDADLO CC[N@@H+](Cc1nc(C)no1)C[C@@H]1CCCO1 ZINC000051555093 353178542 /nfs/dbraw/zinc/17/85/42/353178542.db2.gz LGLDQRKTUQTTKB-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1nc(C)no1)C[C@@H]1CCCO1 ZINC000051555093 353178546 /nfs/dbraw/zinc/17/85/46/353178546.db2.gz LGLDQRKTUQTTKB-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CO[C@](C)(C[N@@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000638972390 353177475 /nfs/dbraw/zinc/17/74/75/353177475.db2.gz GSJRMEGITNDAQW-CQSZACIVSA-N 1 2 249.358 1.822 20 0 BDADLO CO[C@](C)(C[N@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000638972390 353177478 /nfs/dbraw/zinc/17/74/78/353177478.db2.gz GSJRMEGITNDAQW-CQSZACIVSA-N 1 2 249.358 1.822 20 0 BDADLO Cc1cc(C)nc(NCc2ccc(N)[nH+]c2)n1 ZINC000308389822 353265503 /nfs/dbraw/zinc/26/55/03/353265503.db2.gz HVYMMVLEGFXEIP-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1cc(N[C@@H]2CCN(C(=O)C(C)C)C2)nc[nH+]1 ZINC000301674411 188232692 /nfs/dbraw/zinc/23/26/92/188232692.db2.gz RRMOQHSYVCMUOS-LLVKDONJSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOC(C)C ZINC000134949345 538114091 /nfs/dbraw/zinc/11/40/91/538114091.db2.gz IDQIVHNHASTTAR-SECBINFHSA-N 1 2 211.309 1.794 20 0 BDADLO CCN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000361561602 188244286 /nfs/dbraw/zinc/24/42/86/188244286.db2.gz FXAWWJCXTIDRKH-GFCCVEGCSA-N 1 2 249.358 1.758 20 0 BDADLO CCN(C)c1ccc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000361561602 188244288 /nfs/dbraw/zinc/24/42/88/188244288.db2.gz FXAWWJCXTIDRKH-GFCCVEGCSA-N 1 2 249.358 1.758 20 0 BDADLO CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000368950515 188247094 /nfs/dbraw/zinc/24/70/94/188247094.db2.gz AHUZLERHUCSXQV-SNVBAGLBSA-N 1 2 207.277 1.146 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000374092096 188249637 /nfs/dbraw/zinc/24/96/37/188249637.db2.gz CMDPLFHFNVVCNA-NWDGAFQWSA-N 1 2 239.315 1.670 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000374092096 188249639 /nfs/dbraw/zinc/24/96/39/188249639.db2.gz CMDPLFHFNVVCNA-NWDGAFQWSA-N 1 2 239.315 1.670 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121388306 188255504 /nfs/dbraw/zinc/25/55/04/188255504.db2.gz YVEYRVHGWXZLDQ-GFCCVEGCSA-N 1 2 223.272 1.632 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121388306 188255506 /nfs/dbraw/zinc/25/55/06/188255506.db2.gz YVEYRVHGWXZLDQ-GFCCVEGCSA-N 1 2 223.272 1.632 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000061674902 188302488 /nfs/dbraw/zinc/30/24/88/188302488.db2.gz BYCPNSXMVYJZNY-JTQLQIEISA-N 1 2 247.294 1.969 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000061674902 188302490 /nfs/dbraw/zinc/30/24/90/188302490.db2.gz BYCPNSXMVYJZNY-JTQLQIEISA-N 1 2 247.294 1.969 20 0 BDADLO CC(=O)NCCCSCCn1cc[nH+]c1 ZINC000090200794 188317608 /nfs/dbraw/zinc/31/76/08/188317608.db2.gz VAURDEKACJLYNI-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1nccc(N)n1 ZINC000157863886 188333717 /nfs/dbraw/zinc/33/37/17/188333717.db2.gz PZDZBORWIIRTIO-UHFFFAOYSA-N 1 2 249.343 1.190 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1nccc(N)n1 ZINC000157863886 188333720 /nfs/dbraw/zinc/33/37/20/188333720.db2.gz PZDZBORWIIRTIO-UHFFFAOYSA-N 1 2 249.343 1.190 20 0 BDADLO CC(C)=CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000365446175 188356917 /nfs/dbraw/zinc/35/69/17/188356917.db2.gz HFXWWYKQQCZZOR-QWHCGFSZSA-N 1 2 208.349 1.979 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000309051640 188342844 /nfs/dbraw/zinc/34/28/44/188342844.db2.gz RHZINUIGUVVPAF-UMBAGQNISA-N 1 2 207.277 1.524 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccon1 ZINC000336757200 188347186 /nfs/dbraw/zinc/34/71/86/188347186.db2.gz JWGMULUJZZAJJE-QMMMGPOBSA-N 1 2 206.249 1.557 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccncc2)[C@H](C)C1 ZINC000268738769 188373798 /nfs/dbraw/zinc/37/37/98/188373798.db2.gz ZBNRLKVZZXCLHF-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccncc2)[C@H](C)C1 ZINC000268738769 188373800 /nfs/dbraw/zinc/37/38/00/188373800.db2.gz ZBNRLKVZZXCLHF-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000230011124 353420655 /nfs/dbraw/zinc/42/06/55/353420655.db2.gz HOFIDYCXOGJZBG-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)o1 ZINC000230011124 353420656 /nfs/dbraw/zinc/42/06/56/353420656.db2.gz HOFIDYCXOGJZBG-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)NC(C)C ZINC000269505463 188375234 /nfs/dbraw/zinc/37/52/34/188375234.db2.gz GFXJUQBVYPWZRN-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)NC(C)C ZINC000269505463 188375235 /nfs/dbraw/zinc/37/52/35/188375235.db2.gz GFXJUQBVYPWZRN-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@H](O)C1 ZINC000337130857 188361956 /nfs/dbraw/zinc/36/19/56/188361956.db2.gz JKKMKUZRAUVFSE-UWVGGRQHSA-N 1 2 241.312 1.029 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@H](O)C1 ZINC000337130857 188361957 /nfs/dbraw/zinc/36/19/57/188361957.db2.gz JKKMKUZRAUVFSE-UWVGGRQHSA-N 1 2 241.312 1.029 20 0 BDADLO Cc1cc(N2C[C@@H](C)C[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000398975582 353397969 /nfs/dbraw/zinc/39/79/69/353397969.db2.gz CLCKFALFWFJJMG-JQWIXIFHSA-N 1 2 245.326 1.716 20 0 BDADLO CC(=O)NC1C[NH+](Cc2coc3ccccc23)C1 ZINC000335735212 188363845 /nfs/dbraw/zinc/36/38/45/188363845.db2.gz ZAHIMHPSHALIQJ-UHFFFAOYSA-N 1 2 244.294 1.753 20 0 BDADLO CC(C)c1nc(N2CCC[C@H](O)CC2)cc[nH+]1 ZINC000338838088 188367152 /nfs/dbraw/zinc/36/71/52/188367152.db2.gz WDWUBZMVSAODPM-NSHDSACASA-N 1 2 235.331 1.951 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC12CCCC2 ZINC000339165259 188367178 /nfs/dbraw/zinc/36/71/78/188367178.db2.gz NHIMYMZENHHOBG-GFCCVEGCSA-N 1 2 247.342 1.802 20 0 BDADLO CC(C)c1nc(N(C)[C@@H]2CCOC2)cc[nH+]1 ZINC000112966925 188369144 /nfs/dbraw/zinc/36/91/44/188369144.db2.gz YSZLRANCQAZSEB-SNVBAGLBSA-N 1 2 221.304 1.825 20 0 BDADLO CC(C)(O)Cn1c2ccccc2[nH+]c1NCCO ZINC000264110811 188370582 /nfs/dbraw/zinc/37/05/82/188370582.db2.gz TXICQHLULXBADM-UHFFFAOYSA-N 1 2 249.314 1.211 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc3ccccc3o2)C1 ZINC000291378186 188390488 /nfs/dbraw/zinc/39/04/88/188390488.db2.gz APPLXTGMPLHCIP-UHFFFAOYSA-N 1 2 244.294 1.753 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cncs2)[C@@H](C)C1 ZINC000271159040 188375977 /nfs/dbraw/zinc/37/59/77/188375977.db2.gz CJVSXNAPKHXCCX-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cncs2)[C@@H](C)C1 ZINC000271159040 188375979 /nfs/dbraw/zinc/37/59/79/188375979.db2.gz CJVSXNAPKHXCCX-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)nc1 ZINC000271917592 188376905 /nfs/dbraw/zinc/37/69/05/188376905.db2.gz JUTUEINLRHTDDC-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)nc1 ZINC000271917592 188376907 /nfs/dbraw/zinc/37/69/07/188376907.db2.gz JUTUEINLRHTDDC-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000272186180 188377464 /nfs/dbraw/zinc/37/74/64/188377464.db2.gz JYAONNCJNPZLPI-VXGBXAGGSA-N 1 2 235.331 1.772 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000274677624 188378226 /nfs/dbraw/zinc/37/82/26/188378226.db2.gz LNUIFPVFUXMBIZ-ZWNOBZJWSA-N 1 2 235.331 1.719 20 0 BDADLO CC(C)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284556984 188385228 /nfs/dbraw/zinc/38/52/28/188385228.db2.gz YATUBWIDVCCLEI-YEZKRMTDSA-N 1 2 221.304 1.974 20 0 BDADLO CC(C)CN(CC(N)=O)c1cc[nH+]c(C2CC2)n1 ZINC000165666426 353434048 /nfs/dbraw/zinc/43/40/48/353434048.db2.gz BIFURGFQOOWKKG-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCOCC1 ZINC000287386097 188387585 /nfs/dbraw/zinc/38/75/85/188387585.db2.gz CNKUWNAVFMYTRU-UHFFFAOYSA-N 1 2 235.287 1.563 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)O ZINC000287447220 188388420 /nfs/dbraw/zinc/38/84/20/188388420.db2.gz HTPGGESKPCTLOW-QMMMGPOBSA-N 1 2 223.276 1.201 20 0 BDADLO Cn1c[nH+]cc1CN1C(=O)OC2(CCCC2)C1=O ZINC000289892169 188389273 /nfs/dbraw/zinc/38/92/73/188389273.db2.gz SKNJQVIOAXFDAN-UHFFFAOYSA-N 1 2 249.270 1.212 20 0 BDADLO CC(C)N(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000289409287 188389328 /nfs/dbraw/zinc/38/93/28/188389328.db2.gz AVIPUUKETUEYPQ-UHFFFAOYSA-N 1 2 222.292 1.159 20 0 BDADLO Cn1nncc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000351555506 133974458 /nfs/dbraw/zinc/97/44/58/133974458.db2.gz BCQIQDQTBFXQFZ-UHFFFAOYSA-N 1 2 249.224 1.491 20 0 BDADLO CO[C@@](C)(C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000639094808 353478956 /nfs/dbraw/zinc/47/89/56/353478956.db2.gz IMOKBVKVLNCCTM-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@](C)(C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000639094808 353478958 /nfs/dbraw/zinc/47/89/58/353478958.db2.gz IMOKBVKVLNCCTM-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(=O)[nH]c2)n1 ZINC000639100027 353508371 /nfs/dbraw/zinc/50/83/71/353508371.db2.gz XSZQOVUTUMOOBH-ZETCQYMHSA-N 1 2 234.259 1.329 20 0 BDADLO CO[C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC000074028457 353580864 /nfs/dbraw/zinc/58/08/64/353580864.db2.gz BQZZUQOBFVXABH-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO Cc1cc(N2CCC[C@@H](CO)CC2)c(C#N)c[nH+]1 ZINC000399016549 353587788 /nfs/dbraw/zinc/58/77/88/353587788.db2.gz CJXKONXUWACXHE-GFCCVEGCSA-N 1 2 245.326 1.861 20 0 BDADLO CC[C@H](NC(=O)CC(C)(C)OC)c1[nH]cc[nH+]1 ZINC000230942510 353554801 /nfs/dbraw/zinc/55/48/01/353554801.db2.gz GRGZHHWHHDQWBP-VIFPVBQESA-N 1 2 239.319 1.792 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000398446756 363238923 /nfs/dbraw/zinc/23/89/23/363238923.db2.gz LNJPNXQNFUCLMR-SNVBAGLBSA-N 1 2 206.293 1.617 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000398446756 363238928 /nfs/dbraw/zinc/23/89/28/363238928.db2.gz LNJPNXQNFUCLMR-SNVBAGLBSA-N 1 2 206.293 1.617 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccoc1 ZINC000334519737 353675464 /nfs/dbraw/zinc/67/54/64/353675464.db2.gz MXWVVPNIOQMTKL-UHFFFAOYSA-N 1 2 218.212 1.936 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCO1 ZINC000195313424 324202056 /nfs/dbraw/zinc/20/20/56/324202056.db2.gz DPIOMAAMFHDSBT-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCO1 ZINC000195313424 324202059 /nfs/dbraw/zinc/20/20/59/324202059.db2.gz DPIOMAAMFHDSBT-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO Fc1cccc(F)c1CNCC[NH+]1CCC1 ZINC000309560731 181000499 /nfs/dbraw/zinc/00/04/99/181000499.db2.gz JEDHZVMNZOMREF-UHFFFAOYSA-N 1 2 226.270 1.760 20 0 BDADLO Fc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000049714576 181012924 /nfs/dbraw/zinc/01/29/24/181012924.db2.gz AGZLIBGQYSOXBP-UHFFFAOYSA-N 1 2 205.236 1.839 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](CCO)CC(F)F)OC ZINC000639122747 353778292 /nfs/dbraw/zinc/77/82/92/353778292.db2.gz FFLJOQNLWBIXDZ-NXEZZACHSA-N 1 2 239.306 1.607 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](CCO)CC(F)F)OC ZINC000639122747 353778295 /nfs/dbraw/zinc/77/82/95/353778295.db2.gz FFLJOQNLWBIXDZ-NXEZZACHSA-N 1 2 239.306 1.607 20 0 BDADLO Fc1cccnc1NCCn1cc[nH+]c1 ZINC000054700742 181015991 /nfs/dbraw/zinc/01/59/91/181015991.db2.gz LLBDAULVHWAMEB-UHFFFAOYSA-N 1 2 206.224 1.529 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000639128361 353834053 /nfs/dbraw/zinc/83/40/53/353834053.db2.gz VTKSIOSGLSZYAV-SFYZADRCSA-N 1 2 225.292 1.460 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000336226001 181020672 /nfs/dbraw/zinc/02/06/72/181020672.db2.gz HUTQXTXYAKODRF-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cnccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000336226001 181020673 /nfs/dbraw/zinc/02/06/73/181020673.db2.gz HUTQXTXYAKODRF-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]1C(F)F ZINC000343371186 353873597 /nfs/dbraw/zinc/87/35/97/353873597.db2.gz BWLYZLRNRHOADA-QMMMGPOBSA-N 1 2 243.257 1.598 20 0 BDADLO CC(C)c1nc(N2CC(F)C2)nc(N(C)C)[nH+]1 ZINC000343430030 353882988 /nfs/dbraw/zinc/88/29/88/353882988.db2.gz IVRKWHRHAGWHCS-UHFFFAOYSA-N 1 2 239.298 1.219 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000334520963 353885391 /nfs/dbraw/zinc/88/53/91/353885391.db2.gz FINROMAWTXNSKW-JOYOIKCWSA-N 1 2 249.314 1.047 20 0 BDADLO CC[N@H+](Cc1cc(C)ns1)[C@H]1CCNC1=O ZINC000639135977 353845458 /nfs/dbraw/zinc/84/54/58/353845458.db2.gz JODXDGKFZXRWTN-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1cc(C)ns1)[C@H]1CCNC1=O ZINC000639135977 353845463 /nfs/dbraw/zinc/84/54/63/353845463.db2.gz JODXDGKFZXRWTN-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CCOCC12CC2 ZINC000639144505 353850914 /nfs/dbraw/zinc/85/09/14/353850914.db2.gz ZZGJBVSSOSPZAV-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CCOCC12CC2 ZINC000639144505 353850917 /nfs/dbraw/zinc/85/09/17/353850917.db2.gz ZZGJBVSSOSPZAV-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@](C)(F)C1 ZINC000334536843 353923638 /nfs/dbraw/zinc/92/36/38/353923638.db2.gz ANSGRYVCRZEEQU-SCZZXKLOSA-N 1 2 212.272 1.310 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@](C)(F)C1 ZINC000334536843 353923640 /nfs/dbraw/zinc/92/36/40/353923640.db2.gz ANSGRYVCRZEEQU-SCZZXKLOSA-N 1 2 212.272 1.310 20 0 BDADLO Cn1c(N2CC[C@@](C)(O)C2)[nH+]c2cccc(F)c21 ZINC000334538979 353926462 /nfs/dbraw/zinc/92/64/62/353926462.db2.gz RQWJLFCDZGVEKL-CYBMUJFWSA-N 1 2 249.289 1.674 20 0 BDADLO Cc1cc(N2CC[C@@H](COC(F)F)C2)nc[nH+]1 ZINC000343520810 353926850 /nfs/dbraw/zinc/92/68/50/353926850.db2.gz HXPWRUFAEQFSSV-SECBINFHSA-N 1 2 243.257 1.851 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000343473146 353901278 /nfs/dbraw/zinc/90/12/78/353901278.db2.gz RJPILHHWVNRIDS-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000343473146 353901279 /nfs/dbraw/zinc/90/12/79/353901279.db2.gz RJPILHHWVNRIDS-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@H](CO)C1 ZINC000334551751 353992479 /nfs/dbraw/zinc/99/24/79/353992479.db2.gz PYGHPRYVVPYLKR-SECBINFHSA-N 1 2 249.289 1.531 20 0 BDADLO CCn1ncnc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000334553075 353994941 /nfs/dbraw/zinc/99/49/41/353994941.db2.gz OBROXVNBOIVNGZ-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343723696 353959614 /nfs/dbraw/zinc/95/96/14/353959614.db2.gz ZXZZGUSBILZXTP-NEPJUHHUSA-N 1 2 249.358 1.854 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C(C)C)n1C ZINC000178506161 366131199 /nfs/dbraw/zinc/13/11/99/366131199.db2.gz ZZTMSTYOMKHFLW-UHFFFAOYSA-N 1 2 242.392 1.733 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C(C)C)n1C ZINC000178506161 366131202 /nfs/dbraw/zinc/13/12/02/366131202.db2.gz ZZTMSTYOMKHFLW-UHFFFAOYSA-N 1 2 242.392 1.733 20 0 BDADLO C[C@@H]1COCCN1c1[nH+]c2cccc(F)c2n1C ZINC000334555125 353999687 /nfs/dbraw/zinc/99/96/87/353999687.db2.gz LFEGLXZBQGMVOS-SECBINFHSA-N 1 2 249.289 1.938 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](CO)C(C)C)[nH+]1 ZINC000343809323 354010888 /nfs/dbraw/zinc/01/08/88/354010888.db2.gz OADVQMGYMBLPKN-JTQLQIEISA-N 1 2 248.330 1.365 20 0 BDADLO CC(C)[C@H](CO)CNc1cc[nH+]c2ccncc12 ZINC000343852411 354022569 /nfs/dbraw/zinc/02/25/69/354022569.db2.gz KMJOTFTZTHWJNH-NSHDSACASA-N 1 2 245.326 1.728 20 0 BDADLO CCc1cc(N(C)CCCCOC)nc[nH+]1 ZINC000642327012 363285344 /nfs/dbraw/zinc/28/53/44/363285344.db2.gz CLLHMSYCXUKVGH-UHFFFAOYSA-N 1 2 223.320 1.902 20 0 BDADLO CCC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(N)=O ZINC000343965317 354076045 /nfs/dbraw/zinc/07/60/45/354076045.db2.gz NGVQFNDVFJRTCY-SECBINFHSA-N 1 2 247.302 1.332 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000343979937 354057081 /nfs/dbraw/zinc/05/70/81/354057081.db2.gz GUTNEAROTDWSLF-BDAKNGLRSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](O)[C@H](C)SCCCn1cc[nH+]c1 ZINC000230720527 363322955 /nfs/dbraw/zinc/32/29/55/363322955.db2.gz PWGUEYYVFLSZTR-ZJUUUORDSA-N 1 2 214.334 1.776 20 0 BDADLO Cc1nc(N2CC(CF)C2)c(C)c(C)[nH+]1 ZINC000334577095 354110390 /nfs/dbraw/zinc/11/03/90/354110390.db2.gz AQQNDDDHEATMBT-UHFFFAOYSA-N 1 2 209.268 1.808 20 0 BDADLO COCCOCC[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC000344112203 354140765 /nfs/dbraw/zinc/14/07/65/354140765.db2.gz KTFGLWOXDIOVIX-LLVKDONJSA-N 1 2 242.319 1.639 20 0 BDADLO COCCOCC[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC000344112203 354140766 /nfs/dbraw/zinc/14/07/66/354140766.db2.gz KTFGLWOXDIOVIX-LLVKDONJSA-N 1 2 242.319 1.639 20 0 BDADLO COC(C)(C)CC[N@@H+]1CCOCC(F)(F)C1 ZINC000344132746 354148519 /nfs/dbraw/zinc/14/85/19/354148519.db2.gz XCGKNMLRKWKIBB-UHFFFAOYSA-N 1 2 237.290 1.769 20 0 BDADLO COC(C)(C)CC[N@H+]1CCOCC(F)(F)C1 ZINC000344132746 354148521 /nfs/dbraw/zinc/14/85/21/354148521.db2.gz XCGKNMLRKWKIBB-UHFFFAOYSA-N 1 2 237.290 1.769 20 0 BDADLO CN(Cc1ccncc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000344182827 354177201 /nfs/dbraw/zinc/17/72/01/354177201.db2.gz BNDNQSPKHNAZKT-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC(C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344137612 354150263 /nfs/dbraw/zinc/15/02/63/354150263.db2.gz IANYZUMCEMOGSW-QMMMGPOBSA-N 1 2 210.281 1.098 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]cc2O)c(C)o1 ZINC000344198965 354161613 /nfs/dbraw/zinc/16/16/13/354161613.db2.gz UYQKQCGYSGSKRJ-UHFFFAOYSA-N 1 2 233.227 1.066 20 0 BDADLO CN(CC1CCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000344199294 354161753 /nfs/dbraw/zinc/16/17/53/354161753.db2.gz IUEBDDYUUAOZNP-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CN(Cc1ccccn1)C(=O)CCc1[nH]cc[nH+]1 ZINC000344234681 354185570 /nfs/dbraw/zinc/18/55/70/354185570.db2.gz LZXQDDOWDKQJKT-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO OCCC1C[NH+](Cc2ccncc2Cl)C1 ZINC000529598074 324358883 /nfs/dbraw/zinc/35/88/83/324358883.db2.gz BUCSSCKFHONDRR-UHFFFAOYSA-N 1 2 226.707 1.549 20 0 BDADLO CO[C@H]1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000231683854 363349159 /nfs/dbraw/zinc/34/91/59/363349159.db2.gz CPAWERGSIRHHSG-UWVGGRQHSA-N 1 2 207.277 1.764 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000344467049 354266252 /nfs/dbraw/zinc/26/62/52/354266252.db2.gz QJRKFOIXTCRDAL-YTWAJWBKSA-N 1 2 243.347 1.587 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)nn2C)C[C@@H](C)O1 ZINC000334595893 354229395 /nfs/dbraw/zinc/22/93/95/354229395.db2.gz HHFXLYCIKIFOHT-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)nn2C)C[C@@H](C)O1 ZINC000334595893 354229399 /nfs/dbraw/zinc/22/93/99/354229399.db2.gz HHFXLYCIKIFOHT-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO Cn1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000334596947 354230812 /nfs/dbraw/zinc/23/08/12/354230812.db2.gz MINNFBLIMSNJFI-JTQLQIEISA-N 1 2 245.286 1.121 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000334604360 354284708 /nfs/dbraw/zinc/28/47/08/354284708.db2.gz OJSZKCSKKSPHKJ-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000334604360 354284710 /nfs/dbraw/zinc/28/47/10/354284710.db2.gz OJSZKCSKKSPHKJ-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000334604360 354284713 /nfs/dbraw/zinc/28/47/13/354284713.db2.gz OJSZKCSKKSPHKJ-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO COC1(C)C[NH+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639181091 354292853 /nfs/dbraw/zinc/29/28/53/354292853.db2.gz RJAJIFDOBAXJII-JTQLQIEISA-N 1 2 235.331 1.875 20 0 BDADLO C[C@H]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000577975293 366155716 /nfs/dbraw/zinc/15/57/16/366155716.db2.gz HRTUJYRCQAIHBU-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO CN(C)c1ccc(NC[C@H]2CCCOC2)[nH+]c1 ZINC000344963343 354384174 /nfs/dbraw/zinc/38/41/74/354384174.db2.gz JTMNVBWHSQXHJW-LLVKDONJSA-N 1 2 235.331 1.408 20 0 BDADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000344987659 354388530 /nfs/dbraw/zinc/38/85/30/354388530.db2.gz RPMWTTWSAMPPTD-ZETCQYMHSA-N 1 2 247.302 1.170 20 0 BDADLO Cc1ccncc1C(=O)NCc1[nH]cc[nH+]1 ZINC000334624797 354364337 /nfs/dbraw/zinc/36/43/37/354364337.db2.gz CFLSRAQQVFYURH-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ccncc1C(=O)NCc1[nH+]ccn1C ZINC000334629995 354372526 /nfs/dbraw/zinc/37/25/26/354372526.db2.gz FSKHTKDAGFJQCS-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000578037530 366199593 /nfs/dbraw/zinc/19/95/93/366199593.db2.gz GGPZKBJHWSCVPY-RYUDHWBXSA-N 1 2 246.310 1.753 20 0 BDADLO CO[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334654534 354448070 /nfs/dbraw/zinc/44/80/70/354448070.db2.gz ZKGWJQCVHHMJAN-MRVPVSSYSA-N 1 2 223.276 1.193 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc2c(c1)CCC2=O ZINC000334654548 354448152 /nfs/dbraw/zinc/44/81/52/354448152.db2.gz LOCCEEQIHSKGCK-UHFFFAOYSA-N 1 2 232.283 1.316 20 0 BDADLO NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000334693544 354483863 /nfs/dbraw/zinc/48/38/63/354483863.db2.gz FCGQGAQTPLJTOP-UHFFFAOYSA-N 1 2 232.283 1.775 20 0 BDADLO NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000334693544 354483867 /nfs/dbraw/zinc/48/38/67/354483867.db2.gz FCGQGAQTPLJTOP-UHFFFAOYSA-N 1 2 232.283 1.775 20 0 BDADLO COC1CN(Cc2c[nH+]c3c(C)cccn23)C1 ZINC000334732441 354532126 /nfs/dbraw/zinc/53/21/26/354532126.db2.gz DDSASEOGBLBNQC-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO O[C@@]1(C(F)F)CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000334702510 354495638 /nfs/dbraw/zinc/49/56/38/354495638.db2.gz LDJCNGWFUQQFKW-NSHDSACASA-N 1 2 246.232 1.423 20 0 BDADLO O[C@@]1(C(F)F)CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000334702510 354495643 /nfs/dbraw/zinc/49/56/43/354495643.db2.gz LDJCNGWFUQQFKW-NSHDSACASA-N 1 2 246.232 1.423 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000334814060 354571028 /nfs/dbraw/zinc/57/10/28/354571028.db2.gz XYDURVLQOWSGQG-MNOVXSKESA-N 1 2 228.311 1.431 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](F)C1 ZINC000334814060 354571031 /nfs/dbraw/zinc/57/10/31/354571031.db2.gz XYDURVLQOWSGQG-MNOVXSKESA-N 1 2 228.311 1.431 20 0 BDADLO O=C1[C@H](Nc2cccc[nH+]2)C[C@@H]2CCCCN12 ZINC000334813770 354571671 /nfs/dbraw/zinc/57/16/71/354571671.db2.gz WTWGFDFZNQWYEZ-WDEREUQCSA-N 1 2 231.299 1.647 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335095059 354633991 /nfs/dbraw/zinc/63/39/91/354633991.db2.gz HHMPZQXYVUNGLF-GXSJLCMTSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335095059 354633995 /nfs/dbraw/zinc/63/39/95/354633995.db2.gz HHMPZQXYVUNGLF-GXSJLCMTSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@](C)(F)C2)o1 ZINC000335095536 354634838 /nfs/dbraw/zinc/63/48/38/354634838.db2.gz YOHHGJCQWKOVKG-XCBNKYQSSA-N 1 2 213.256 1.873 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@](C)(F)C2)o1 ZINC000335095536 354634841 /nfs/dbraw/zinc/63/48/41/354634841.db2.gz YOHHGJCQWKOVKG-XCBNKYQSSA-N 1 2 213.256 1.873 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000335099641 354641104 /nfs/dbraw/zinc/64/11/04/354641104.db2.gz YHIRESOUQMAAQX-UWVGGRQHSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000335099641 354641108 /nfs/dbraw/zinc/64/11/08/354641108.db2.gz YHIRESOUQMAAQX-UWVGGRQHSA-N 1 2 228.311 1.430 20 0 BDADLO CN(C)c1[nH+]cc(CN2CC[C@@](C)(F)C2)n1C ZINC000335089739 354624570 /nfs/dbraw/zinc/62/45/70/354624570.db2.gz YXBQZCFPQPMFEN-GFCCVEGCSA-N 1 2 240.326 1.420 20 0 BDADLO Cc1sccc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000345580366 354703475 /nfs/dbraw/zinc/70/34/75/354703475.db2.gz ZWSYNVINVPXWNP-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000335114842 354703526 /nfs/dbraw/zinc/70/35/26/354703526.db2.gz HKFBNIZOAUKOCV-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000335114842 354703530 /nfs/dbraw/zinc/70/35/30/354703530.db2.gz HKFBNIZOAUKOCV-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CO)c1 ZINC000345641563 354722545 /nfs/dbraw/zinc/72/25/45/354722545.db2.gz OAAFOVAZQTWPLD-UHFFFAOYSA-N 1 2 245.282 1.392 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345727812 354745129 /nfs/dbraw/zinc/74/51/29/354745129.db2.gz VFFCGJHFKZHAPE-BDAKNGLRSA-N 1 2 234.290 1.534 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC000335127183 354772141 /nfs/dbraw/zinc/77/21/41/354772141.db2.gz MENNQRUPDQECBZ-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC000335127183 354772144 /nfs/dbraw/zinc/77/21/44/354772144.db2.gz MENNQRUPDQECBZ-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO CC(C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345645809 354735587 /nfs/dbraw/zinc/73/55/87/354735587.db2.gz QYEDDFMMRSMMNM-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CCOC(=O)CCC[NH2+][C@@](C)(CC)C(=O)OC ZINC000345670935 354740998 /nfs/dbraw/zinc/74/09/98/354740998.db2.gz XYANHJQDGZGLLU-LBPRGKRZSA-N 1 2 245.319 1.261 20 0 BDADLO COCCc1nc(C[N@@H+]2CCCC[C@H]2C)no1 ZINC000345964950 354822042 /nfs/dbraw/zinc/82/20/42/354822042.db2.gz QPPIDRZWAVNQLR-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO COCCc1nc(C[N@H+]2CCCC[C@H]2C)no1 ZINC000345964950 354822046 /nfs/dbraw/zinc/82/20/46/354822046.db2.gz QPPIDRZWAVNQLR-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCCc1nc(C[N@H+](C)[C@H](CC)CO)no1 ZINC000345876304 354794655 /nfs/dbraw/zinc/79/46/55/354794655.db2.gz AUEAIFNDKOPDJU-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](C)[C@H](CC)CO)no1 ZINC000345876304 354794658 /nfs/dbraw/zinc/79/46/58/354794658.db2.gz AUEAIFNDKOPDJU-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)n(C)n1 ZINC000335177484 354947822 /nfs/dbraw/zinc/94/78/22/354947822.db2.gz HPTWJFUVRGGXLN-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)n(C)n1 ZINC000335177484 354947825 /nfs/dbraw/zinc/94/78/25/354947825.db2.gz HPTWJFUVRGGXLN-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCC(C)(C)C1 ZINC000335179299 354952502 /nfs/dbraw/zinc/95/25/02/354952502.db2.gz VLGKFEMQMLOVKL-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335179947 354953386 /nfs/dbraw/zinc/95/33/86/354953386.db2.gz FVVAXBKSNOOGQH-GWCFXTLKSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335179947 354953387 /nfs/dbraw/zinc/95/33/87/354953387.db2.gz FVVAXBKSNOOGQH-GWCFXTLKSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335179947 354953391 /nfs/dbraw/zinc/95/33/91/354953391.db2.gz FVVAXBKSNOOGQH-GWCFXTLKSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000335179947 354953393 /nfs/dbraw/zinc/95/33/93/354953393.db2.gz FVVAXBKSNOOGQH-GWCFXTLKSA-N 1 2 235.331 1.717 20 0 BDADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)CC(F)(F)F ZINC000346620220 354995038 /nfs/dbraw/zinc/99/50/38/354995038.db2.gz RDOLCEZODMHLLZ-MRVPVSSYSA-N 1 2 227.201 1.859 20 0 BDADLO O[C@@H](C[N@H+]1CCC=C(F)C1)CC(F)(F)F ZINC000346620220 354995040 /nfs/dbraw/zinc/99/50/40/354995040.db2.gz RDOLCEZODMHLLZ-MRVPVSSYSA-N 1 2 227.201 1.859 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CCCCO2)cc[nH+]1 ZINC000335225488 355067213 /nfs/dbraw/zinc/06/72/13/355067213.db2.gz YSUYRRLYURKZBN-ZDUSSCGKSA-N 1 2 234.299 1.710 20 0 BDADLO CC[C@@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000346796888 355107482 /nfs/dbraw/zinc/10/74/82/355107482.db2.gz ULIMFJQCUAVNPT-SECBINFHSA-N 1 2 248.317 1.878 20 0 BDADLO CC[C@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000346796890 355107670 /nfs/dbraw/zinc/10/76/70/355107670.db2.gz ULIMFJQCUAVNPT-VIFPVBQESA-N 1 2 248.317 1.878 20 0 BDADLO COCc1nc(COCc2[nH]cc[nH+]2)cs1 ZINC000346713419 355102531 /nfs/dbraw/zinc/10/25/31/355102531.db2.gz FNACPEFZGKHRKU-UHFFFAOYSA-N 1 2 239.300 1.729 20 0 BDADLO Cc1cc(N2CCCO[C@H](C)C2)nc[nH+]1 ZINC000346971834 355208306 /nfs/dbraw/zinc/20/83/06/355208306.db2.gz BIHCIQZQXXNXLH-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO CC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000335252919 355208545 /nfs/dbraw/zinc/20/85/45/355208545.db2.gz TVKOKHJYJHKSCV-AOOOYVTPSA-N 1 2 241.237 1.809 20 0 BDADLO CC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000335252919 355208546 /nfs/dbraw/zinc/20/85/46/355208546.db2.gz TVKOKHJYJHKSCV-AOOOYVTPSA-N 1 2 241.237 1.809 20 0 BDADLO COC(=O)CC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000346973494 355209084 /nfs/dbraw/zinc/20/90/84/355209084.db2.gz TXYSIOOREVKOCO-UHFFFAOYSA-N 1 2 249.314 1.565 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2(C(C)C)CC2)C1 ZINC000639233791 355216260 /nfs/dbraw/zinc/21/62/60/355216260.db2.gz TYRIASRHTZJKLY-UHFFFAOYSA-N 1 2 245.388 1.542 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335243609 355180059 /nfs/dbraw/zinc/18/00/59/355180059.db2.gz HGWAPECLUKJFKR-IUCAKERBSA-N 1 2 214.309 1.657 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335243609 355180060 /nfs/dbraw/zinc/18/00/60/355180060.db2.gz HGWAPECLUKJFKR-IUCAKERBSA-N 1 2 214.309 1.657 20 0 BDADLO O[C@@H]1CCCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413096154 191355497 /nfs/dbraw/zinc/35/54/97/191355497.db2.gz DXSFNXJATJQXOE-GHMZBOCLSA-N 1 2 248.330 1.766 20 0 BDADLO O[C@@H]1CCCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413096154 191355500 /nfs/dbraw/zinc/35/55/00/191355500.db2.gz DXSFNXJATJQXOE-GHMZBOCLSA-N 1 2 248.330 1.766 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1ccncc1 ZINC000413004180 191336459 /nfs/dbraw/zinc/33/64/59/191336459.db2.gz YTEQBCLAFPAPPQ-LLVKDONJSA-N 1 2 238.356 1.894 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1ccncc1 ZINC000413004180 191336461 /nfs/dbraw/zinc/33/64/61/191336461.db2.gz YTEQBCLAFPAPPQ-LLVKDONJSA-N 1 2 238.356 1.894 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCCF)[C@@H]1CCCOC1 ZINC000347616553 355236441 /nfs/dbraw/zinc/23/64/41/355236441.db2.gz RRSNVHAUZUWBOQ-MNOVXSKESA-N 1 2 247.310 1.294 20 0 BDADLO CCc1cc(N)nc(SCCc2cn[nH]c2)[nH+]1 ZINC000413008858 191338657 /nfs/dbraw/zinc/33/86/57/191338657.db2.gz ZFOTVRFTAQKAKS-UHFFFAOYSA-N 1 2 249.343 1.509 20 0 BDADLO Cn1cc(CNc2cc(NC3CC3)[nH+]cn2)cn1 ZINC000413073077 191354688 /nfs/dbraw/zinc/35/46/88/191354688.db2.gz NWNXWDSBUKGFLV-UHFFFAOYSA-N 1 2 244.302 1.397 20 0 BDADLO Cn1cc(CNc2cc(NC3CC3)nc[nH+]2)cn1 ZINC000413073077 191354689 /nfs/dbraw/zinc/35/46/89/191354689.db2.gz NWNXWDSBUKGFLV-UHFFFAOYSA-N 1 2 244.302 1.397 20 0 BDADLO CC[N@H+](CCOC)Cc1cn(C(C)C)nn1 ZINC000347673875 355261990 /nfs/dbraw/zinc/26/19/90/355261990.db2.gz MLNJMPFMNICJCB-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CC[N@@H+](CCOC)Cc1cn(C(C)C)nn1 ZINC000347673875 355261993 /nfs/dbraw/zinc/26/19/93/355261993.db2.gz MLNJMPFMNICJCB-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CC(C)NC(=O)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000413574807 191395190 /nfs/dbraw/zinc/39/51/90/191395190.db2.gz UEKUVAWDVUCPQC-SECBINFHSA-N 1 2 248.330 1.101 20 0 BDADLO COC(=O)[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000413556475 191397257 /nfs/dbraw/zinc/39/72/57/191397257.db2.gz DRVCBEBYNPFQAX-AOOOYVTPSA-N 1 2 247.298 1.139 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413239428 191363252 /nfs/dbraw/zinc/36/32/52/191363252.db2.gz IVNVXBJHLMITGF-BDAKNGLRSA-N 1 2 236.319 1.622 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413239428 191363255 /nfs/dbraw/zinc/36/32/55/191363255.db2.gz IVNVXBJHLMITGF-BDAKNGLRSA-N 1 2 236.319 1.622 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[C@H]1O ZINC000413254908 191367312 /nfs/dbraw/zinc/36/73/12/191367312.db2.gz ZUYZNYFJIWQYQW-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC[C@H]1O ZINC000413254908 191367313 /nfs/dbraw/zinc/36/73/13/191367313.db2.gz ZUYZNYFJIWQYQW-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO F[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413270717 191368191 /nfs/dbraw/zinc/36/81/91/191368191.db2.gz PAJIFSYQNAPDNW-SECBINFHSA-N 1 2 236.294 1.989 20 0 BDADLO F[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413270717 191368194 /nfs/dbraw/zinc/36/81/94/191368194.db2.gz PAJIFSYQNAPDNW-SECBINFHSA-N 1 2 236.294 1.989 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413317202 191371397 /nfs/dbraw/zinc/37/13/97/191371397.db2.gz YHDIQYSPWBJYJQ-RKDXNWHRSA-N 1 2 236.319 1.886 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413317202 191371399 /nfs/dbraw/zinc/37/13/99/191371399.db2.gz YHDIQYSPWBJYJQ-RKDXNWHRSA-N 1 2 236.319 1.886 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CC[C@@H](C)O2)[nH+]1 ZINC000413370428 191377383 /nfs/dbraw/zinc/37/73/83/191377383.db2.gz CRCNSXCYESSHOT-PSASIEDQSA-N 1 2 246.314 1.668 20 0 BDADLO Cc1nc(NCc2nnc(C(C)(C)C)[nH]2)cc[nH+]1 ZINC000413414751 191381723 /nfs/dbraw/zinc/38/17/23/191381723.db2.gz NMVOTCLYXKQCDH-UHFFFAOYSA-N 1 2 246.318 1.235 20 0 BDADLO CCn1ncnc1C[NH+]1CC(C)(CC)C1 ZINC000639255434 355298583 /nfs/dbraw/zinc/29/85/83/355298583.db2.gz RRFLAYZJVGHBRA-UHFFFAOYSA-N 1 2 208.309 1.530 20 0 BDADLO C[C@H]1[C@@H](CO)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000413600385 191398882 /nfs/dbraw/zinc/39/88/82/191398882.db2.gz YQOIRYNCWUCLGB-CMPLNLGQSA-N 1 2 247.342 1.951 20 0 BDADLO FC(F)CC1C[NH+](Cc2ccon2)C1 ZINC000639278213 355361526 /nfs/dbraw/zinc/36/15/26/355361526.db2.gz AYHRVJZHOQKFQP-UHFFFAOYSA-N 1 2 202.204 1.762 20 0 BDADLO FC1(F)COCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000335794991 355450129 /nfs/dbraw/zinc/45/01/29/355450129.db2.gz OHFOMZYFPJHBMM-SNVBAGLBSA-N 1 2 235.274 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000335794991 355450134 /nfs/dbraw/zinc/45/01/34/355450134.db2.gz OHFOMZYFPJHBMM-SNVBAGLBSA-N 1 2 235.274 1.381 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335807343 355479681 /nfs/dbraw/zinc/47/96/81/355479681.db2.gz OXLOAGJJWBSNDZ-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335807343 355479684 /nfs/dbraw/zinc/47/96/84/355479684.db2.gz OXLOAGJJWBSNDZ-VIFPVBQESA-N 1 2 245.282 1.598 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335807342 355480212 /nfs/dbraw/zinc/48/02/12/355480212.db2.gz OXLOAGJJWBSNDZ-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335807342 355480214 /nfs/dbraw/zinc/48/02/14/355480214.db2.gz OXLOAGJJWBSNDZ-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO CCCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349851246 355481829 /nfs/dbraw/zinc/48/18/29/355481829.db2.gz MWAHNJLSMIHVEP-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CCCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349851246 355481833 /nfs/dbraw/zinc/48/18/33/355481833.db2.gz MWAHNJLSMIHVEP-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO C[C@@H]1[N@H+](Cc2ccc(CO)o2)CCOC1(C)C ZINC000335825575 355549763 /nfs/dbraw/zinc/54/97/63/355549763.db2.gz MDNVTHBKTMPBNJ-JTQLQIEISA-N 1 2 239.315 1.771 20 0 BDADLO C[C@@H]1[N@@H+](Cc2ccc(CO)o2)CCOC1(C)C ZINC000335825575 355549766 /nfs/dbraw/zinc/54/97/66/355549766.db2.gz MDNVTHBKTMPBNJ-JTQLQIEISA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335835258 355562562 /nfs/dbraw/zinc/56/25/62/355562562.db2.gz RFITZGWLWAJBPB-GXFFZTMASA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1C[C@H](CO)CN(c2cc(CO)cc[nH+]2)C1 ZINC000398687429 363452195 /nfs/dbraw/zinc/45/21/95/363452195.db2.gz FQSUPUXZKYKKOM-PWSUYJOCSA-N 1 2 236.315 1.029 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000639296118 355592393 /nfs/dbraw/zinc/59/23/93/355592393.db2.gz LZMXDLQQHUNRQE-JQWIXIFHSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+]1CCn2nncc2C1)OC ZINC000639296118 355592394 /nfs/dbraw/zinc/59/23/94/355592394.db2.gz LZMXDLQQHUNRQE-JQWIXIFHSA-N 1 2 238.335 1.155 20 0 BDADLO CSCc1cnc(C[N@H+](C)CCO)s1 ZINC000350146617 355615549 /nfs/dbraw/zinc/61/55/49/355615549.db2.gz LJYUUPDWSFOJKA-UHFFFAOYSA-N 1 2 232.374 1.430 20 0 BDADLO CSCc1cnc(C[N@@H+](C)CCO)s1 ZINC000350146617 355615552 /nfs/dbraw/zinc/61/55/52/355615552.db2.gz LJYUUPDWSFOJKA-UHFFFAOYSA-N 1 2 232.374 1.430 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]cc2C)[nH]n1 ZINC000335836339 355563794 /nfs/dbraw/zinc/56/37/94/355563794.db2.gz ZLFVXBDJQWTMPQ-UHFFFAOYSA-N 1 2 230.271 1.025 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cn1 ZINC000350312219 355668232 /nfs/dbraw/zinc/66/82/32/355668232.db2.gz AOACLIXWNHDOGR-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cn1 ZINC000350312219 355668233 /nfs/dbraw/zinc/66/82/33/355668233.db2.gz AOACLIXWNHDOGR-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO CCn1nccc1NC(=O)CCCn1cc[nH+]c1 ZINC000623244733 355668483 /nfs/dbraw/zinc/66/84/83/355668483.db2.gz VNVCZCVYCRKJAP-UHFFFAOYSA-N 1 2 247.302 1.518 20 0 BDADLO CCC[C@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639310485 355669043 /nfs/dbraw/zinc/66/90/43/355669043.db2.gz PMMAEWDYQWVUKU-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000639310485 355669045 /nfs/dbraw/zinc/66/90/45/355669045.db2.gz PMMAEWDYQWVUKU-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000335861705 355623915 /nfs/dbraw/zinc/62/39/15/355623915.db2.gz WRDYGZUWIYKIHE-SECBINFHSA-N 1 2 222.292 1.228 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000335861705 355623918 /nfs/dbraw/zinc/62/39/18/355623918.db2.gz WRDYGZUWIYKIHE-SECBINFHSA-N 1 2 222.292 1.228 20 0 BDADLO C[N@H+](Cc1nc2ccccc2o1)[C@H]1CCNC1=O ZINC000335862732 355625890 /nfs/dbraw/zinc/62/58/90/355625890.db2.gz WTZYTISKFLFUEK-JTQLQIEISA-N 1 2 245.282 1.148 20 0 BDADLO C[N@@H+](Cc1nc2ccccc2o1)[C@H]1CCNC1=O ZINC000335862732 355625893 /nfs/dbraw/zinc/62/58/93/355625893.db2.gz WTZYTISKFLFUEK-JTQLQIEISA-N 1 2 245.282 1.148 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)CCOC1 ZINC000335871307 355637967 /nfs/dbraw/zinc/63/79/67/355637967.db2.gz BUKRLMWPNAKPTI-ZDUSSCGKSA-N 1 2 234.299 1.431 20 0 BDADLO CC(=O)CCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583592899 355704649 /nfs/dbraw/zinc/70/46/49/355704649.db2.gz BEIHNGSJFLCDCH-SECBINFHSA-N 1 2 223.276 1.346 20 0 BDADLO C[C@@H]1CCN(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000336008197 134049850 /nfs/dbraw/zinc/04/98/50/134049850.db2.gz BYIYUSHHQHFKJB-SNVBAGLBSA-N 1 2 234.303 1.161 20 0 BDADLO CCn1cc[nH+]c1CN1Cc2cnn(C)c2C1 ZINC000639318875 355712253 /nfs/dbraw/zinc/71/22/53/355712253.db2.gz CGBBGWGIUMPWTF-UHFFFAOYSA-N 1 2 231.303 1.152 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000639317876 355713594 /nfs/dbraw/zinc/71/35/94/355713594.db2.gz QQUDGEFZCMFZFL-LBPRGKRZSA-N 1 2 244.298 1.298 20 0 BDADLO O=C(c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000335887300 355678741 /nfs/dbraw/zinc/67/87/41/355678741.db2.gz JZUMGAZUIVBWAI-UHFFFAOYSA-N 1 2 227.267 1.539 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncnn2C(C)(C)C)[C@H]1C ZINC000335887120 355678759 /nfs/dbraw/zinc/67/87/59/355678759.db2.gz HAPZICHCPTXFLS-UWVGGRQHSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)[C@H]1C ZINC000335887120 355678760 /nfs/dbraw/zinc/67/87/60/355678760.db2.gz HAPZICHCPTXFLS-UWVGGRQHSA-N 1 2 222.336 1.873 20 0 BDADLO O=c1ccc(C[N@@H+]2CCc3nccnc3C2)c[nH]1 ZINC000639330258 355746755 /nfs/dbraw/zinc/74/67/55/355746755.db2.gz KOKVXRAAMAUUHB-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO O=c1ccc(C[N@H+]2CCc3nccnc3C2)c[nH]1 ZINC000639330258 355746761 /nfs/dbraw/zinc/74/67/61/355746761.db2.gz KOKVXRAAMAUUHB-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO CO[C@](C)(C[N@H+](C)Cc1noc(C)n1)C1CC1 ZINC000639333344 355762635 /nfs/dbraw/zinc/76/26/35/355762635.db2.gz WBFSEPZXPTVBKT-GFCCVEGCSA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@](C)(C[N@@H+](C)Cc1noc(C)n1)C1CC1 ZINC000639333344 355762637 /nfs/dbraw/zinc/76/26/37/355762637.db2.gz WBFSEPZXPTVBKT-GFCCVEGCSA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000626433050 355766846 /nfs/dbraw/zinc/76/68/46/355766846.db2.gz UTUZELSPDAJXAT-XYPYZODXSA-N 1 2 249.314 1.997 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1nccn1C ZINC000639327266 355729843 /nfs/dbraw/zinc/72/98/43/355729843.db2.gz NJKPANQZJYJSND-SECBINFHSA-N 1 2 248.305 1.992 20 0 BDADLO COc1cc(C[NH2+]Cc2ccoc2C)on1 ZINC000639326790 355732078 /nfs/dbraw/zinc/73/20/78/355732078.db2.gz UKKFKWHCFXCJMP-UHFFFAOYSA-N 1 2 222.244 1.874 20 0 BDADLO CC(C)(C[NH2+]Cc1cn[nH]n1)Oc1ccccc1 ZINC000639341211 355782489 /nfs/dbraw/zinc/78/24/89/355782489.db2.gz IYIGOKIPRZDPCW-UHFFFAOYSA-N 1 2 246.314 1.752 20 0 BDADLO C[C@@H](CO)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000608498388 355826240 /nfs/dbraw/zinc/82/62/40/355826240.db2.gz NHVDKZDPBZIIJQ-MRVPVSSYSA-N 1 2 225.292 1.007 20 0 BDADLO C[C@@H](CO)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000608498388 355826244 /nfs/dbraw/zinc/82/62/44/355826244.db2.gz NHVDKZDPBZIIJQ-MRVPVSSYSA-N 1 2 225.292 1.007 20 0 BDADLO Cn1cc(C[NH+]2CC(c3ccccc3)C2)nn1 ZINC000639361843 355816222 /nfs/dbraw/zinc/81/62/22/355816222.db2.gz USYVLRFFCSXAOS-UHFFFAOYSA-N 1 2 228.299 1.415 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000608498744 355826917 /nfs/dbraw/zinc/82/69/17/355826917.db2.gz WVKNSFNXXGHOMG-YUMQZZPRSA-N 1 2 213.281 1.142 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000608498744 355826918 /nfs/dbraw/zinc/82/69/18/355826918.db2.gz WVKNSFNXXGHOMG-YUMQZZPRSA-N 1 2 213.281 1.142 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424906859 191881717 /nfs/dbraw/zinc/88/17/17/191881717.db2.gz LEYXREBRDKRIOE-STQMWFEESA-N 1 2 247.342 1.826 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2ccnn2CC2CC2)n1 ZINC000639367517 355847450 /nfs/dbraw/zinc/84/74/50/355847450.db2.gz RNUMCIZSICSZRJ-UHFFFAOYSA-N 1 2 231.303 1.306 20 0 BDADLO CC(C)[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363558 355848216 /nfs/dbraw/zinc/84/82/16/355848216.db2.gz OFBKIMXYFNXWFG-WCBMZHEXSA-N 1 2 226.349 1.424 20 0 BDADLO CC(C)[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363558 355848218 /nfs/dbraw/zinc/84/82/18/355848218.db2.gz OFBKIMXYFNXWFG-WCBMZHEXSA-N 1 2 226.349 1.424 20 0 BDADLO OCC[NH+](CCO)Cc1cscc1Cl ZINC000628369702 355876944 /nfs/dbraw/zinc/87/69/44/355876944.db2.gz SRHNSSWGFDGLFR-UHFFFAOYSA-N 1 2 235.736 1.188 20 0 BDADLO CCc1nocc1CNCc1[nH]cc[nH+]1 ZINC000639373089 355877039 /nfs/dbraw/zinc/87/70/39/355877039.db2.gz VZSBOHHEBFFZJE-UHFFFAOYSA-N 1 2 206.249 1.250 20 0 BDADLO CCc1nocc1C[NH2+]Cc1ncc[nH]1 ZINC000639373089 355877040 /nfs/dbraw/zinc/87/70/40/355877040.db2.gz VZSBOHHEBFFZJE-UHFFFAOYSA-N 1 2 206.249 1.250 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCC12CC2 ZINC000623254340 355852898 /nfs/dbraw/zinc/85/28/98/355852898.db2.gz ZDCKTCFXONMUAT-ZYHUDNBSSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1ccc2[nH]c(C[NH2+]Cc3cn[nH]c3)nc2c1 ZINC000608579488 355866907 /nfs/dbraw/zinc/86/69/07/355866907.db2.gz PIHOUAAWPQNHQO-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO Cc1ccc2nc(C[NH2+]Cc3cn[nH]c3)[nH]c2c1 ZINC000608579488 355866911 /nfs/dbraw/zinc/86/69/11/355866911.db2.gz PIHOUAAWPQNHQO-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000639363569 355827770 /nfs/dbraw/zinc/82/77/70/355827770.db2.gz RBEWVSHOGNSIMG-NXEZZACHSA-N 1 2 223.320 1.983 20 0 BDADLO CC1([NH2+]Cc2nc3c(s2)CCCC3)COC1 ZINC000639381172 355918063 /nfs/dbraw/zinc/91/80/63/355918063.db2.gz QMXYTLPVPPBBMF-UHFFFAOYSA-N 1 2 238.356 1.900 20 0 BDADLO CC1([NH2+]Cc2nc3cc(F)ccc3o2)COC1 ZINC000639381487 355918266 /nfs/dbraw/zinc/91/82/66/355918266.db2.gz WEKKCDICSCHIGD-UHFFFAOYSA-N 1 2 236.246 1.845 20 0 BDADLO CC(C)n1ccnc1C[NH2+]C1(C)COC1 ZINC000639381574 355922086 /nfs/dbraw/zinc/92/20/86/355922086.db2.gz YDMMMMGNZXVAQT-UHFFFAOYSA-N 1 2 209.293 1.343 20 0 BDADLO CCc1cnc(C[NH2+]C2(C)COC2)s1 ZINC000639381700 355922591 /nfs/dbraw/zinc/92/25/91/355922591.db2.gz ZRINHBYWMIDDOX-UHFFFAOYSA-N 1 2 212.318 1.584 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)o1 ZINC000639388301 356006161 /nfs/dbraw/zinc/00/61/61/356006161.db2.gz XCXBSSPDIKLUEM-SVRRBLITSA-N 1 2 238.209 1.384 20 0 BDADLO CCn1c[nH+]cc1CN(CC(=O)OC)C1CC1 ZINC000417785028 191927150 /nfs/dbraw/zinc/92/71/50/191927150.db2.gz PEGZZYKAQUHRQH-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H]1C(F)(F)F ZINC000639387355 355998189 /nfs/dbraw/zinc/99/81/89/355998189.db2.gz WBXCTGZXMMTUFC-IONNQARKSA-N 1 2 249.236 1.012 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H]1C(F)(F)F ZINC000639387355 355998192 /nfs/dbraw/zinc/99/81/92/355998192.db2.gz WBXCTGZXMMTUFC-IONNQARKSA-N 1 2 249.236 1.012 20 0 BDADLO COCCc1nc(C[N@@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000351521151 356007571 /nfs/dbraw/zinc/00/75/71/356007571.db2.gz UHBMWDQNEKBFII-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000351521151 356007576 /nfs/dbraw/zinc/00/75/76/356007576.db2.gz UHBMWDQNEKBFII-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](C(C)C)C1 ZINC000351138428 355951977 /nfs/dbraw/zinc/95/19/77/355951977.db2.gz DEYZVJQBYOUXHL-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623256468 355959367 /nfs/dbraw/zinc/95/93/67/355959367.db2.gz MFIWYYJHLYOIJL-XZUYRWCXSA-N 1 2 245.326 1.360 20 0 BDADLO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC000351622946 356032081 /nfs/dbraw/zinc/03/20/81/356032081.db2.gz UEPWONVSJVJELX-FBIMIBRVSA-N 1 2 239.319 1.986 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000351622723 356032185 /nfs/dbraw/zinc/03/21/85/356032185.db2.gz DWFVXOUTWRSJKX-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000351622723 356032186 /nfs/dbraw/zinc/03/21/86/356032186.db2.gz DWFVXOUTWRSJKX-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](CO)c2ccccc2)c[nH+]1 ZINC000351647153 356044591 /nfs/dbraw/zinc/04/45/91/356044591.db2.gz HHLSPGRIGXBNGC-GFCCVEGCSA-N 1 2 245.282 1.182 20 0 BDADLO NC(=O)COc1ccc([NH2+]C2CCCC2)cc1 ZINC000037041145 181239810 /nfs/dbraw/zinc/23/98/10/181239810.db2.gz JMEUBTZYQQAWEX-UHFFFAOYSA-N 1 2 234.299 1.905 20 0 BDADLO NC(=O)C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000339533698 181243757 /nfs/dbraw/zinc/24/37/57/181243757.db2.gz MJPGRODDIAMHAP-LLVKDONJSA-N 1 2 244.298 1.116 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)C[C@H]1O ZINC000351712833 356067379 /nfs/dbraw/zinc/06/73/79/356067379.db2.gz RRPUCWHYQPVSOF-FXBDTBDDSA-N 1 2 225.292 1.142 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2noc(C)n2)C[C@H]1O ZINC000351712833 356067383 /nfs/dbraw/zinc/06/73/83/356067383.db2.gz RRPUCWHYQPVSOF-FXBDTBDDSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cs1 ZINC000623258292 356068280 /nfs/dbraw/zinc/06/82/80/356068280.db2.gz NVGZNUMOGILOAC-SNVBAGLBSA-N 1 2 247.323 1.608 20 0 BDADLO CC(C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(F)F ZINC000623260259 356097376 /nfs/dbraw/zinc/09/73/76/356097376.db2.gz ZNXJFWXGQYWQNF-ZETCQYMHSA-N 1 2 243.257 1.215 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261479 356152245 /nfs/dbraw/zinc/15/22/45/356152245.db2.gz TZORACGUXRDFIW-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262104 356162839 /nfs/dbraw/zinc/16/28/39/356162839.db2.gz OMDMSPXSTOAJNS-MNOVXSKESA-N 1 2 235.331 1.606 20 0 BDADLO Cc1nscc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262933 356173025 /nfs/dbraw/zinc/17/30/25/356173025.db2.gz WFFHAQUHEXLYJJ-QMMMGPOBSA-N 1 2 248.311 1.003 20 0 BDADLO CCC(C)(C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000617569265 356129558 /nfs/dbraw/zinc/12/95/58/356129558.db2.gz UBCSMKQHJZXBHV-SNVBAGLBSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@H]1COC(C)(C)CN1Cc1[nH+]ccn1C ZINC000336095823 134080047 /nfs/dbraw/zinc/08/00/47/134080047.db2.gz SNTBNJFNSRKFHD-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nccn1C ZINC000336095823 134080048 /nfs/dbraw/zinc/08/00/48/134080048.db2.gz SNTBNJFNSRKFHD-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nccn1C ZINC000336095823 134080049 /nfs/dbraw/zinc/08/00/49/134080049.db2.gz SNTBNJFNSRKFHD-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)oc1C ZINC000336098003 134080868 /nfs/dbraw/zinc/08/08/68/134080868.db2.gz WBYLHNPEPZHHMX-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncs2)[C@@H](C)CN1C ZINC000336085890 134076547 /nfs/dbraw/zinc/07/65/47/134076547.db2.gz NFUCGILMITUMIG-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncs2)[C@@H](C)CN1C ZINC000336085890 134076548 /nfs/dbraw/zinc/07/65/48/134076548.db2.gz NFUCGILMITUMIG-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=CCCCC1 ZINC000623261140 356148119 /nfs/dbraw/zinc/14/81/19/356148119.db2.gz AFVZCIGVKKCRCP-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO COCC[N@H+](CC(C)=O)Cc1cccs1 ZINC000639436989 356215544 /nfs/dbraw/zinc/21/55/44/356215544.db2.gz REJZWVODXDVQDI-UHFFFAOYSA-N 1 2 227.329 1.786 20 0 BDADLO COCC[N@@H+](CC(C)=O)Cc1cccs1 ZINC000639436989 356215548 /nfs/dbraw/zinc/21/55/48/356215548.db2.gz REJZWVODXDVQDI-UHFFFAOYSA-N 1 2 227.329 1.786 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCCC[C@@H]1CO ZINC000639452042 356231934 /nfs/dbraw/zinc/23/19/34/356231934.db2.gz NSIZPEOZRFEQTO-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CCCC[C@@H]1CO ZINC000639452042 356231936 /nfs/dbraw/zinc/23/19/36/356231936.db2.gz NSIZPEOZRFEQTO-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[S@]1=O ZINC000351913724 356197405 /nfs/dbraw/zinc/19/74/05/356197405.db2.gz VFOCREKFOQRZKV-UEKVPHQBSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[S@]1=O ZINC000351913724 356197409 /nfs/dbraw/zinc/19/74/09/356197409.db2.gz VFOCREKFOQRZKV-UEKVPHQBSA-N 1 2 231.361 1.008 20 0 BDADLO CC1=C(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623263721 356201715 /nfs/dbraw/zinc/20/17/15/356201715.db2.gz VQJLDBCILDVHKS-JTQLQIEISA-N 1 2 231.299 1.424 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1CCO[C@H]1C ZINC000639474118 356267499 /nfs/dbraw/zinc/26/74/99/356267499.db2.gz MJHJVNRWJBSZSM-UWVGGRQHSA-N 1 2 237.290 1.625 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCO[C@H]1C ZINC000639474118 356267504 /nfs/dbraw/zinc/26/75/04/356267504.db2.gz MJHJVNRWJBSZSM-UWVGGRQHSA-N 1 2 237.290 1.625 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000617637931 356238861 /nfs/dbraw/zinc/23/88/61/356238861.db2.gz DEDYEUALDFWJGS-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000617637931 356238863 /nfs/dbraw/zinc/23/88/63/356238863.db2.gz DEDYEUALDFWJGS-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000617638183 356240800 /nfs/dbraw/zinc/24/08/00/356240800.db2.gz ILTRFOAHRKFSRS-RYUDHWBXSA-N 1 2 249.358 1.998 20 0 BDADLO C[N@H+](Cc1cscn1)Cc1cc[nH]c(=O)c1 ZINC000639461029 356244400 /nfs/dbraw/zinc/24/44/00/356244400.db2.gz PUVCTKUOZFBJIT-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cscn1)Cc1cc[nH]c(=O)c1 ZINC000639461029 356244403 /nfs/dbraw/zinc/24/44/03/356244403.db2.gz PUVCTKUOZFBJIT-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO O[C@H]1C[N@H+](Cc2cscn2)CC12CC2 ZINC000336109566 134085815 /nfs/dbraw/zinc/08/58/15/134085815.db2.gz RWQTWYCEKQFRGK-VIFPVBQESA-N 1 2 210.302 1.100 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cscn2)CC12CC2 ZINC000336109566 134085816 /nfs/dbraw/zinc/08/58/16/134085816.db2.gz RWQTWYCEKQFRGK-VIFPVBQESA-N 1 2 210.302 1.100 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000336110056 134085943 /nfs/dbraw/zinc/08/59/43/134085943.db2.gz XRFPKWHPHJHKIE-MNOVXSKESA-N 1 2 220.320 1.878 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000336110056 134085944 /nfs/dbraw/zinc/08/59/44/134085944.db2.gz XRFPKWHPHJHKIE-MNOVXSKESA-N 1 2 220.320 1.878 20 0 BDADLO CC(C)(C)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265386 356293538 /nfs/dbraw/zinc/29/35/38/356293538.db2.gz DXDPQHKFLUPGDL-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC(C)(C)CO1 ZINC000639487817 356304780 /nfs/dbraw/zinc/30/47/80/356304780.db2.gz XPIDZSPQYCGCIR-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CC(C)(C)CO1 ZINC000639487817 356304781 /nfs/dbraw/zinc/30/47/81/356304781.db2.gz XPIDZSPQYCGCIR-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CN(Cc1ccoc1)C(=O)CCCn1cc[nH+]c1 ZINC000623275520 356411425 /nfs/dbraw/zinc/41/14/25/356411425.db2.gz CSBNHEHYQOLYGF-UHFFFAOYSA-N 1 2 247.298 1.915 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278819 356427124 /nfs/dbraw/zinc/42/71/24/356427124.db2.gz DWSSUFBUJPLFMO-WDEREUQCSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(C)o1 ZINC000623278987 356427730 /nfs/dbraw/zinc/42/77/30/356427730.db2.gz JJNSIZLCHJYNPK-SNVBAGLBSA-N 1 2 245.282 1.448 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000639546297 356408469 /nfs/dbraw/zinc/40/84/69/356408469.db2.gz FNJPBRUEUBDMQK-NSHDSACASA-N 1 2 248.317 1.832 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000639546297 356408471 /nfs/dbraw/zinc/40/84/71/356408471.db2.gz FNJPBRUEUBDMQK-NSHDSACASA-N 1 2 248.317 1.832 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000336142466 134100891 /nfs/dbraw/zinc/10/08/91/134100891.db2.gz MDDJRAFCGUSHJH-UHFFFAOYSA-N 1 2 236.290 1.238 20 0 BDADLO CNC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000336142466 134100892 /nfs/dbraw/zinc/10/08/92/134100892.db2.gz MDDJRAFCGUSHJH-UHFFFAOYSA-N 1 2 236.290 1.238 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csnn2)CCS1 ZINC000190699471 356451102 /nfs/dbraw/zinc/45/11/02/356451102.db2.gz APEHEVBXRNZLMR-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csnn2)CCS1 ZINC000190699471 356451104 /nfs/dbraw/zinc/45/11/04/356451104.db2.gz APEHEVBXRNZLMR-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000623280667 356454447 /nfs/dbraw/zinc/45/44/47/356454447.db2.gz VZDOHQASXMYJIP-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cnccn2)[C@@H](C)CN1C ZINC000639558148 356460232 /nfs/dbraw/zinc/46/02/32/356460232.db2.gz XBXFLHMADXSBBN-NEPJUHHUSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cnccn2)[C@@H](C)CN1C ZINC000639558148 356460235 /nfs/dbraw/zinc/46/02/35/356460235.db2.gz XBXFLHMADXSBBN-NEPJUHHUSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CCC3)no2)C[C@@H]1O ZINC000639557435 356462462 /nfs/dbraw/zinc/46/24/62/356462462.db2.gz GPCNUNRHFFDAJM-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CCC3)no2)C[C@@H]1O ZINC000639557435 356462464 /nfs/dbraw/zinc/46/24/64/356462464.db2.gz GPCNUNRHFFDAJM-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623279760 356444225 /nfs/dbraw/zinc/44/42/25/356444225.db2.gz CMHLKUORXUZFOS-SNVBAGLBSA-N 1 2 221.304 1.360 20 0 BDADLO C[C@@H]1C[C@H](CO)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000420623145 192250045 /nfs/dbraw/zinc/25/00/45/192250045.db2.gz JKFYFRQOMNXDCL-MNOVXSKESA-N 1 2 247.342 1.809 20 0 BDADLO CC(=O)C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000639563980 356480565 /nfs/dbraw/zinc/48/05/65/356480565.db2.gz FCBKGLJCJVFLAQ-UHFFFAOYSA-N 1 2 245.322 1.879 20 0 BDADLO CC(=O)C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000639563980 356480569 /nfs/dbraw/zinc/48/05/69/356480569.db2.gz FCBKGLJCJVFLAQ-UHFFFAOYSA-N 1 2 245.322 1.879 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OCC ZINC000396601720 356485315 /nfs/dbraw/zinc/48/53/15/356485315.db2.gz VGANUDBLQXAFLS-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)s1 ZINC000623282166 356466445 /nfs/dbraw/zinc/46/64/45/356466445.db2.gz OGICAHQYNYPJFI-VIFPVBQESA-N 1 2 247.323 1.608 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000379397199 356473573 /nfs/dbraw/zinc/47/35/73/356473573.db2.gz DNAKKMZXTPMEGZ-ZCFIWIBFSA-N 1 2 248.124 1.297 20 0 BDADLO CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000336166231 134113425 /nfs/dbraw/zinc/11/34/25/134113425.db2.gz XSHUQAULKYYTCK-HSOILSAZSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@H](C)CNC(=O)NCc1[nH+]ccn1CC ZINC000420849348 192263826 /nfs/dbraw/zinc/26/38/26/192263826.db2.gz SXNUEWSSCDFUMR-SNVBAGLBSA-N 1 2 238.335 1.748 20 0 BDADLO COCCO[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000179351475 366247278 /nfs/dbraw/zinc/24/72/78/366247278.db2.gz GGIJJSZFDZCCSW-NSHDSACASA-N 1 2 239.319 1.037 20 0 BDADLO COCCO[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000179351475 366247281 /nfs/dbraw/zinc/24/72/81/366247281.db2.gz GGIJJSZFDZCCSW-NSHDSACASA-N 1 2 239.319 1.037 20 0 BDADLO COc1cccc2c1CC[N@H+](CC(C)=O)C2 ZINC000639576580 356503790 /nfs/dbraw/zinc/50/37/90/356503790.db2.gz SACBXUMKIXSBRF-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO COc1cccc2c1CC[N@@H+](CC(C)=O)C2 ZINC000639576580 356503793 /nfs/dbraw/zinc/50/37/93/356503793.db2.gz SACBXUMKIXSBRF-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO CC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000639584010 356507473 /nfs/dbraw/zinc/50/74/73/356507473.db2.gz SYFFPUSWRYLUIA-CYBMUJFWSA-N 1 2 225.332 1.857 20 0 BDADLO CC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000639584010 356507476 /nfs/dbraw/zinc/50/74/76/356507476.db2.gz SYFFPUSWRYLUIA-CYBMUJFWSA-N 1 2 225.332 1.857 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000639602058 356521210 /nfs/dbraw/zinc/52/12/10/356521210.db2.gz NWUILZVAKWSYRQ-IVZWLZJFSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000639602058 356521211 /nfs/dbraw/zinc/52/12/11/356521211.db2.gz NWUILZVAKWSYRQ-IVZWLZJFSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000639602059 356521599 /nfs/dbraw/zinc/52/15/99/356521599.db2.gz NWUILZVAKWSYRQ-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000639602059 356521601 /nfs/dbraw/zinc/52/16/01/356521601.db2.gz NWUILZVAKWSYRQ-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO CC[C@@H]1C[NH+](Cc2cc[nH]n2)C[C@@H](CC)O1 ZINC000420954589 192278021 /nfs/dbraw/zinc/27/80/21/192278021.db2.gz KEQJEGRNNAYKFX-VXGBXAGGSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H](C(=O)OC)[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420951006 192278731 /nfs/dbraw/zinc/27/87/31/192278731.db2.gz GVELJEYYFGSTIC-IJLUTSLNSA-N 1 2 243.347 1.827 20 0 BDADLO CCC(F)(F)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000639606520 356526826 /nfs/dbraw/zinc/52/68/26/356526826.db2.gz QDCPHMQTAZRODF-BDAKNGLRSA-N 1 2 225.279 1.095 20 0 BDADLO CCC(F)(F)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000639606520 356526828 /nfs/dbraw/zinc/52/68/28/356526828.db2.gz QDCPHMQTAZRODF-BDAKNGLRSA-N 1 2 225.279 1.095 20 0 BDADLO CC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H](CC)O1 ZINC000420959671 192281909 /nfs/dbraw/zinc/28/19/09/192281909.db2.gz QMCIWTRIUWDKAT-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1nn(C)cc1Cl ZINC000420967321 192284967 /nfs/dbraw/zinc/28/49/67/192284967.db2.gz UBBJZQHJJDSFHX-VIFPVBQESA-N 1 2 245.754 1.666 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1nn(C)cc1Cl ZINC000420967321 192284970 /nfs/dbraw/zinc/28/49/70/192284970.db2.gz UBBJZQHJJDSFHX-VIFPVBQESA-N 1 2 245.754 1.666 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H]2CCO)n1 ZINC000420923690 192274982 /nfs/dbraw/zinc/27/49/82/192274982.db2.gz RAJGMAHBUFZYLE-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H]2CCO)n1 ZINC000420923690 192274984 /nfs/dbraw/zinc/27/49/84/192274984.db2.gz RAJGMAHBUFZYLE-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO CCC(F)(F)C[N@H+](CCOCCO)C(C)C ZINC000639628573 356544899 /nfs/dbraw/zinc/54/48/99/356544899.db2.gz QQKPONPHFAKKCP-UHFFFAOYSA-N 1 2 239.306 1.751 20 0 BDADLO CCC(F)(F)C[N@@H+](CCOCCO)C(C)C ZINC000639628573 356544902 /nfs/dbraw/zinc/54/49/02/356544902.db2.gz QQKPONPHFAKKCP-UHFFFAOYSA-N 1 2 239.306 1.751 20 0 BDADLO CO[C@@](C)(c1noc(Cn2cc[nH+]c2)n1)C1CC1 ZINC000350437216 366279206 /nfs/dbraw/zinc/27/92/06/366279206.db2.gz RDIFCXSFPKTEKO-GFCCVEGCSA-N 1 2 248.286 1.586 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CC(C)(C)CO)n1 ZINC000420981968 192290912 /nfs/dbraw/zinc/29/09/12/192290912.db2.gz ZGJIUJJXIDBVGM-UHFFFAOYSA-N 1 2 245.754 1.524 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000420981968 192290916 /nfs/dbraw/zinc/29/09/16/192290916.db2.gz ZGJIUJJXIDBVGM-UHFFFAOYSA-N 1 2 245.754 1.524 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)nn1 ZINC000449774839 202032373 /nfs/dbraw/zinc/03/23/73/202032373.db2.gz MFPBYLDTUKNHHT-ZYHUDNBSSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)nn1 ZINC000449774839 202032375 /nfs/dbraw/zinc/03/23/75/202032375.db2.gz MFPBYLDTUKNHHT-ZYHUDNBSSA-N 1 2 238.335 1.062 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CC23CC3)c1Cl ZINC000578122512 366280740 /nfs/dbraw/zinc/28/07/40/366280740.db2.gz ZNKWYOMEGVLPLC-LURJTMIESA-N 1 2 224.695 1.346 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CC23CC3)c1Cl ZINC000578122512 366280746 /nfs/dbraw/zinc/28/07/46/366280746.db2.gz ZNKWYOMEGVLPLC-LURJTMIESA-N 1 2 224.695 1.346 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](O)CC[C@H]2C)cc[nH+]1 ZINC000421079134 192312351 /nfs/dbraw/zinc/31/23/51/192312351.db2.gz ARGFTZREWVKKIG-PWSUYJOCSA-N 1 2 249.314 1.189 20 0 BDADLO C[C@H]1OCC[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000639648155 356554449 /nfs/dbraw/zinc/55/44/49/356554449.db2.gz YKEGDVUDUDVOIQ-ZJUUUORDSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1OCC[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000639648155 356554450 /nfs/dbraw/zinc/55/44/50/356554450.db2.gz YKEGDVUDUDVOIQ-ZJUUUORDSA-N 1 2 235.274 1.379 20 0 BDADLO CC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000639644595 356557373 /nfs/dbraw/zinc/55/73/73/356557373.db2.gz WEWVJAQXPQHUAX-ZETCQYMHSA-N 1 2 214.215 1.599 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@]23CCOC3)n1 ZINC000421024408 192306446 /nfs/dbraw/zinc/30/64/46/192306446.db2.gz SBXBQMKHWVQRRI-ZDUSSCGKSA-N 1 2 249.314 1.109 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@]23CCOC3)n1 ZINC000421024408 192306449 /nfs/dbraw/zinc/30/64/49/192306449.db2.gz SBXBQMKHWVQRRI-ZDUSSCGKSA-N 1 2 249.314 1.109 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639644626 356557820 /nfs/dbraw/zinc/55/78/20/356557820.db2.gz XBXQJZADBYYIBZ-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639644626 356557823 /nfs/dbraw/zinc/55/78/23/356557823.db2.gz XBXQJZADBYYIBZ-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421027545 192309015 /nfs/dbraw/zinc/30/90/15/192309015.db2.gz GPPBIDSQLIVJJB-CYBMUJFWSA-N 1 2 240.347 1.158 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421027545 192309017 /nfs/dbraw/zinc/30/90/17/192309017.db2.gz GPPBIDSQLIVJJB-CYBMUJFWSA-N 1 2 240.347 1.158 20 0 BDADLO CC[N@H+](CCOC)Cc1nn(C)c(C)c1Cl ZINC000421330929 192318223 /nfs/dbraw/zinc/31/82/23/192318223.db2.gz RVELZLQJCOAZGY-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CC[N@@H+](CCOC)Cc1nn(C)c(C)c1Cl ZINC000421330929 192318225 /nfs/dbraw/zinc/31/82/25/192318225.db2.gz RVELZLQJCOAZGY-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CCN1CC[N@H+](Cc2ccncc2C)[C@@H](C)C1=O ZINC000336206727 134132429 /nfs/dbraw/zinc/13/24/29/134132429.db2.gz HHXXPWNUUDFLJS-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccncc2C)[C@@H](C)C1=O ZINC000336206727 134132430 /nfs/dbraw/zinc/13/24/30/134132430.db2.gz HHXXPWNUUDFLJS-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000639656198 356571828 /nfs/dbraw/zinc/57/18/28/356571828.db2.gz XFIQDQQBAWPEEQ-NSHDSACASA-N 1 2 219.284 1.859 20 0 BDADLO CC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000639656198 356571834 /nfs/dbraw/zinc/57/18/34/356571834.db2.gz XFIQDQQBAWPEEQ-NSHDSACASA-N 1 2 219.284 1.859 20 0 BDADLO C[C@H]1C[NH+](Cc2ccncc2F)C[C@H](C)O1 ZINC000336211313 134134497 /nfs/dbraw/zinc/13/44/97/134134497.db2.gz KTMQWZIIKQDQDZ-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000639674476 356592090 /nfs/dbraw/zinc/59/20/90/356592090.db2.gz YRNWTEGMPORSMP-SFYZADRCSA-N 1 2 209.236 1.035 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000639683380 356592430 /nfs/dbraw/zinc/59/24/30/356592430.db2.gz DXSWSWDFLUAZRI-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000639683380 356592434 /nfs/dbraw/zinc/59/24/34/356592434.db2.gz DXSWSWDFLUAZRI-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1CCO[C@H]1C ZINC000639666665 356581200 /nfs/dbraw/zinc/58/12/00/356581200.db2.gz UFJRFOVZRLGRST-LPEHRKFASA-N 1 2 237.290 1.359 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1CCO[C@H]1C ZINC000639666665 356581204 /nfs/dbraw/zinc/58/12/04/356581204.db2.gz UFJRFOVZRLGRST-LPEHRKFASA-N 1 2 237.290 1.359 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cccnc2)[C@@H](C)C(=O)N1C ZINC000639686987 356596689 /nfs/dbraw/zinc/59/66/89/356596689.db2.gz AEOXUBWRYRJIMU-UTUOFQBUSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccnc2)[C@@H](C)C(=O)N1C ZINC000639686987 356596691 /nfs/dbraw/zinc/59/66/91/356596691.db2.gz AEOXUBWRYRJIMU-UTUOFQBUSA-N 1 2 247.342 1.521 20 0 BDADLO CC[C@H](NC(=O)c1ncc[nH]1)c1[nH]cc[nH+]1 ZINC000613578851 363521134 /nfs/dbraw/zinc/52/11/34/363521134.db2.gz DWPMYSADFBUJFA-ZETCQYMHSA-N 1 2 219.248 1.014 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]cc1C1CC1 ZINC000639726613 356622334 /nfs/dbraw/zinc/62/23/34/356622334.db2.gz XJPTZJROAKFMMW-UHFFFAOYSA-N 1 2 230.271 1.545 20 0 BDADLO CC(=O)C[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639745962 356637826 /nfs/dbraw/zinc/63/78/26/356637826.db2.gz WGGUDAVDJAQNRE-LLVKDONJSA-N 1 2 212.337 1.238 20 0 BDADLO CC(=O)C[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639745962 356637829 /nfs/dbraw/zinc/63/78/29/356637829.db2.gz WGGUDAVDJAQNRE-LLVKDONJSA-N 1 2 212.337 1.238 20 0 BDADLO Cc1cc(NC(=O)C2(C)COC2)c(C)c[nH+]1 ZINC000542058851 325006688 /nfs/dbraw/zinc/00/66/88/325006688.db2.gz VIYPGIHVJOPWFJ-UHFFFAOYSA-N 1 2 220.272 1.095 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@@H]2CC(C)(C)CO2)n1 ZINC000639747995 356641157 /nfs/dbraw/zinc/64/11/57/356641157.db2.gz BKNJSCBEQOBQBV-JTQLQIEISA-N 1 2 239.319 1.625 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@@H]2CC(C)(C)CO2)n1 ZINC000639747995 356641160 /nfs/dbraw/zinc/64/11/60/356641160.db2.gz BKNJSCBEQOBQBV-JTQLQIEISA-N 1 2 239.319 1.625 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CC[C@H](C)C2)n1 ZINC000450335316 202131719 /nfs/dbraw/zinc/13/17/19/202131719.db2.gz XJBKKKIDCKEYAA-QMMMGPOBSA-N 1 2 240.328 1.772 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CC[C@H](C)C2)n1 ZINC000450335316 202131721 /nfs/dbraw/zinc/13/17/21/202131721.db2.gz XJBKKKIDCKEYAA-QMMMGPOBSA-N 1 2 240.328 1.772 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CC[C@@H](C)C2)n1 ZINC000450335314 202132770 /nfs/dbraw/zinc/13/27/70/202132770.db2.gz XJBKKKIDCKEYAA-MRVPVSSYSA-N 1 2 240.328 1.772 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CC[C@@H](C)C2)n1 ZINC000450335314 202132774 /nfs/dbraw/zinc/13/27/74/202132774.db2.gz XJBKKKIDCKEYAA-MRVPVSSYSA-N 1 2 240.328 1.772 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1ccccc1O ZINC000578143639 366323721 /nfs/dbraw/zinc/32/37/21/366323721.db2.gz WZVKXMIDYRSBJL-UHFFFAOYSA-N 1 2 243.310 1.876 20 0 BDADLO CC[C@H]([NH2+]CCc1ccccn1)C(=O)OC ZINC000168230112 134160663 /nfs/dbraw/zinc/16/06/63/134160663.db2.gz IZHZTXKOWOCSOM-NSHDSACASA-N 1 2 222.288 1.165 20 0 BDADLO CCC[C@@](C)([NH2+]CCC[C@@H](C)O)C(=O)OC ZINC000450421202 202160666 /nfs/dbraw/zinc/16/06/66/202160666.db2.gz SJLVZGVUKZGICM-ZYHUDNBSSA-N 1 2 231.336 1.469 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccn(C)n1 ZINC000353343234 356710031 /nfs/dbraw/zinc/71/00/31/356710031.db2.gz JFQJSGDHYLSJHD-VHSXEESVSA-N 1 2 248.334 1.351 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000054172081 363563255 /nfs/dbraw/zinc/56/32/55/363563255.db2.gz YNMMRAWALIAZNR-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000054172081 363563259 /nfs/dbraw/zinc/56/32/59/363563259.db2.gz YNMMRAWALIAZNR-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO c1n[nH]cc1[C@H]1CCC[N@H+]1Cc1ncccn1 ZINC000639777866 356724495 /nfs/dbraw/zinc/72/44/95/356724495.db2.gz YSEQFMWNXXPULZ-LLVKDONJSA-N 1 2 229.287 1.537 20 0 BDADLO c1n[nH]cc1[C@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000639777866 356724499 /nfs/dbraw/zinc/72/44/99/356724499.db2.gz YSEQFMWNXXPULZ-LLVKDONJSA-N 1 2 229.287 1.537 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C1CC1 ZINC000384737468 356737260 /nfs/dbraw/zinc/73/72/60/356737260.db2.gz KVJDZBDCQUQTLO-OINDSLJFSA-N 1 2 227.304 1.094 20 0 BDADLO CN(C(=O)C[N@H+](C)Cc1ccns1)C1CC1 ZINC000639787348 356740077 /nfs/dbraw/zinc/74/00/77/356740077.db2.gz LUSCAGOKANGQGI-UHFFFAOYSA-N 1 2 239.344 1.196 20 0 BDADLO CN(C(=O)C[N@@H+](C)Cc1ccns1)C1CC1 ZINC000639787348 356740079 /nfs/dbraw/zinc/74/00/79/356740079.db2.gz LUSCAGOKANGQGI-UHFFFAOYSA-N 1 2 239.344 1.196 20 0 BDADLO Cc1cccc(O)c1C(=O)N1CC[NH+](C)CC1 ZINC000623344475 356748012 /nfs/dbraw/zinc/74/80/12/356748012.db2.gz OABJQLIPJRQRTM-UHFFFAOYSA-N 1 2 234.299 1.088 20 0 BDADLO C[N@@H+]1CCC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000225327884 538621657 /nfs/dbraw/zinc/62/16/57/538621657.db2.gz QDUBTVDIVZRKJP-MRVPVSSYSA-N 1 2 245.779 1.980 20 0 BDADLO C[N@H+]1CCC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000225327884 538621661 /nfs/dbraw/zinc/62/16/61/538621661.db2.gz QDUBTVDIVZRKJP-MRVPVSSYSA-N 1 2 245.779 1.980 20 0 BDADLO CCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000542756976 325045173 /nfs/dbraw/zinc/04/51/73/325045173.db2.gz ZFSQTPHZDSBMHT-VIFPVBQESA-N 1 2 224.308 1.625 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000578189963 366374867 /nfs/dbraw/zinc/37/48/67/366374867.db2.gz LQWMVDVSPCPESB-GHMZBOCLSA-N 1 2 238.335 1.375 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000578189963 366374873 /nfs/dbraw/zinc/37/48/73/366374873.db2.gz LQWMVDVSPCPESB-GHMZBOCLSA-N 1 2 238.335 1.375 20 0 BDADLO O=c1[nH]c(Cn2cc[nH+]c2)nc2ccccc21 ZINC000010809461 538631365 /nfs/dbraw/zinc/63/13/65/538631365.db2.gz CNJJQAMJSTUVAU-UHFFFAOYSA-N 1 2 226.239 1.168 20 0 BDADLO CN1CCC[C@@H]([N@H+](C)Cc2ccns2)C1=O ZINC000639805276 356774510 /nfs/dbraw/zinc/77/45/10/356774510.db2.gz AMIWQRXBQDEEIC-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CN1CCC[C@@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000639805276 356774512 /nfs/dbraw/zinc/77/45/12/356774512.db2.gz AMIWQRXBQDEEIC-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639839112 356833631 /nfs/dbraw/zinc/83/36/31/356833631.db2.gz IBKQMTKFGISKJD-LLVKDONJSA-N 1 2 248.330 1.138 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639839112 356833636 /nfs/dbraw/zinc/83/36/36/356833636.db2.gz IBKQMTKFGISKJD-LLVKDONJSA-N 1 2 248.330 1.138 20 0 BDADLO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)c1ccccc1F ZINC000639823867 356804365 /nfs/dbraw/zinc/80/43/65/356804365.db2.gz FDICRQMYIMBDJU-IINYFYTJSA-N 1 2 249.285 1.465 20 0 BDADLO O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)c1ccccc1F ZINC000639823867 356804368 /nfs/dbraw/zinc/80/43/68/356804368.db2.gz FDICRQMYIMBDJU-IINYFYTJSA-N 1 2 249.285 1.465 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H](O)CCC(C)C)CCO1 ZINC000639836069 356826130 /nfs/dbraw/zinc/82/61/30/356826130.db2.gz FSPTYKCPPZUING-NWDGAFQWSA-N 1 2 231.336 1.088 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H](O)CCC(C)C)CCO1 ZINC000639836069 356826133 /nfs/dbraw/zinc/82/61/33/356826133.db2.gz FSPTYKCPPZUING-NWDGAFQWSA-N 1 2 231.336 1.088 20 0 BDADLO CO[C@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000639837749 356827774 /nfs/dbraw/zinc/82/77/74/356827774.db2.gz RSCFRYKRGRLIFH-MGPQQGTHSA-N 1 2 233.311 1.847 20 0 BDADLO CO[C@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000639837749 356827776 /nfs/dbraw/zinc/82/77/76/356827776.db2.gz RSCFRYKRGRLIFH-MGPQQGTHSA-N 1 2 233.311 1.847 20 0 BDADLO CO[C@H]1C[N@H+](CCc2scnc2C)CCO1 ZINC000639837279 356829526 /nfs/dbraw/zinc/82/95/26/356829526.db2.gz IZXXHYYSIXZFAF-LLVKDONJSA-N 1 2 242.344 1.299 20 0 BDADLO CO[C@H]1C[N@@H+](CCc2scnc2C)CCO1 ZINC000639837279 356829530 /nfs/dbraw/zinc/82/95/30/356829530.db2.gz IZXXHYYSIXZFAF-LLVKDONJSA-N 1 2 242.344 1.299 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345819 363569215 /nfs/dbraw/zinc/56/92/15/363569215.db2.gz LHRLTZRBBDDJIN-SRVKXCTJSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345819 363569219 /nfs/dbraw/zinc/56/92/19/363569219.db2.gz LHRLTZRBBDDJIN-SRVKXCTJSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cn1 ZINC000353183358 538735431 /nfs/dbraw/zinc/73/54/31/538735431.db2.gz QACBQZAZDOAIPY-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2ncnn2C)cn1 ZINC000353183359 538735858 /nfs/dbraw/zinc/73/58/58/538735858.db2.gz QACBQZAZDOAIPY-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CC(C)CCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357941277 356855877 /nfs/dbraw/zinc/85/58/77/356855877.db2.gz YJDXZFNPAJERMV-UHFFFAOYSA-N 1 2 234.303 1.983 20 0 BDADLO CCc1cc(Nc2cn(C)nc2OC)nc(C)[nH+]1 ZINC000352582543 538722846 /nfs/dbraw/zinc/72/28/46/538722846.db2.gz BGKOUEYQWUOUCN-UHFFFAOYSA-N 1 2 247.302 1.833 20 0 BDADLO CC[N@H+](Cc1cscn1)[C@@H]1CCOC1 ZINC000361249001 356922293 /nfs/dbraw/zinc/92/22/93/356922293.db2.gz FFFSXVSRPBGSFH-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO CC[N@@H+](Cc1cscn1)[C@@H]1CCOC1 ZINC000361249001 356922295 /nfs/dbraw/zinc/92/22/95/356922295.db2.gz FFFSXVSRPBGSFH-SNVBAGLBSA-N 1 2 212.318 1.754 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)[C@@H]1CCOC1 ZINC000361252786 356922988 /nfs/dbraw/zinc/92/29/88/356922988.db2.gz SQEYMUYNSQBCAZ-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)[C@@H]1CCOC1 ZINC000361252786 356922991 /nfs/dbraw/zinc/92/29/91/356922991.db2.gz SQEYMUYNSQBCAZ-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)no1 ZINC000368896148 356979131 /nfs/dbraw/zinc/97/91/31/356979131.db2.gz LVUSSFPKNBSOOF-JOYOIKCWSA-N 1 2 237.303 1.289 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@H]2C)c(C#N)c[nH+]1 ZINC000399579039 356981492 /nfs/dbraw/zinc/98/14/92/356981492.db2.gz KYYFRTKBILMCHH-ONGXEEELSA-N 1 2 217.272 1.273 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCOC2=O)[C@@H]1[C@@H]1CCCO1 ZINC000367706679 356957971 /nfs/dbraw/zinc/95/79/71/356957971.db2.gz ODYMDZCHSFGBDP-OUAUKWLOSA-N 1 2 239.315 1.191 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCOC2=O)[C@@H]1[C@@H]1CCCO1 ZINC000367706679 356957973 /nfs/dbraw/zinc/95/79/73/356957973.db2.gz ODYMDZCHSFGBDP-OUAUKWLOSA-N 1 2 239.315 1.191 20 0 BDADLO c1[nH]c(CN2CCC[C@@H]2c2ncccn2)c[nH+]1 ZINC000639870130 357025529 /nfs/dbraw/zinc/02/55/29/357025529.db2.gz OPOXAMUJVDZSHE-LLVKDONJSA-N 1 2 229.287 1.537 20 0 BDADLO c1[nH]cc(CN2CCC[C@@H]2c2ncccn2)[nH+]1 ZINC000639870130 357025532 /nfs/dbraw/zinc/02/55/32/357025532.db2.gz OPOXAMUJVDZSHE-LLVKDONJSA-N 1 2 229.287 1.537 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC1CC1 ZINC000354171481 538774402 /nfs/dbraw/zinc/77/44/02/538774402.db2.gz IUUFKWKLGIWIPB-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H](OC)CC2)no1 ZINC000371731041 357049415 /nfs/dbraw/zinc/04/94/15/357049415.db2.gz BWMJCSIXTNLZMF-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H](OC)CC2)no1 ZINC000371731041 357049420 /nfs/dbraw/zinc/04/94/20/357049420.db2.gz BWMJCSIXTNLZMF-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H]1[N@H+](Cc2cncnc2)CCOC1(C)C ZINC000353871178 538768654 /nfs/dbraw/zinc/76/86/54/538768654.db2.gz UBSZBBFZRPBJEZ-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H]1[N@@H+](Cc2cncnc2)CCOC1(C)C ZINC000353871178 538768660 /nfs/dbraw/zinc/76/86/60/538768660.db2.gz UBSZBBFZRPBJEZ-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC2(C1)CCCO2 ZINC000626468526 357005497 /nfs/dbraw/zinc/00/54/97/357005497.db2.gz KAUAWEKJCGBHBK-UHFFFAOYSA-N 1 2 247.298 1.209 20 0 BDADLO Cc1cc(NC(=O)N(C)CC2(C)COC2)cc[nH+]1 ZINC000626468428 357005745 /nfs/dbraw/zinc/00/57/45/357005745.db2.gz FAFWQRARAHAYGS-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccon2)cn1 ZINC000156137095 538771299 /nfs/dbraw/zinc/77/12/99/538771299.db2.gz FRKSJJWKFOOBAK-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000355253278 538790657 /nfs/dbraw/zinc/79/06/57/538790657.db2.gz MECYYNLKYZDGDJ-CMPLNLGQSA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000355253296 538791620 /nfs/dbraw/zinc/79/16/20/538791620.db2.gz MECYYNLKYZDGDJ-PWSUYJOCSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCc1c[nH+]cn1C ZINC000355255827 538792066 /nfs/dbraw/zinc/79/20/66/538792066.db2.gz QNONIGLLDVXGGQ-RKDXNWHRSA-N 1 2 207.277 1.082 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000582334593 357069807 /nfs/dbraw/zinc/06/98/07/357069807.db2.gz LODNOIRLXHWSLK-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000354815138 538784231 /nfs/dbraw/zinc/78/42/31/538784231.db2.gz OHVVNYVSUIFUDF-ZDUSSCGKSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000354815138 538784239 /nfs/dbraw/zinc/78/42/39/538784239.db2.gz OHVVNYVSUIFUDF-ZDUSSCGKSA-N 1 2 235.331 1.991 20 0 BDADLO CN(Cc1cccn1C)C(=O)CCc1c[nH+]c[nH]1 ZINC000354963178 538786398 /nfs/dbraw/zinc/78/63/98/538786398.db2.gz NOITYLHELVYAKJ-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO CN(Cc1cccn1C)C(=O)CCc1c[nH]c[nH+]1 ZINC000354963178 538786401 /nfs/dbraw/zinc/78/64/01/538786401.db2.gz NOITYLHELVYAKJ-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO CCN1C[C@H](Nc2[nH+]cccc2OC)CC1=O ZINC000391612770 357131925 /nfs/dbraw/zinc/13/19/25/357131925.db2.gz DQFPMUOUEQSDRK-SECBINFHSA-N 1 2 235.287 1.123 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ncccc1F ZINC000582439156 357158197 /nfs/dbraw/zinc/15/81/97/357158197.db2.gz YSAZLLMXYCXCKY-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO COCCC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356046132 538806615 /nfs/dbraw/zinc/80/66/15/538806615.db2.gz SJGXFDJGMJGCML-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COCCC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356046132 538806623 /nfs/dbraw/zinc/80/66/23/538806623.db2.gz SJGXFDJGMJGCML-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CC(C)CCc1noc(C[N@H+](C)CCO)n1 ZINC000303412451 357124214 /nfs/dbraw/zinc/12/42/14/357124214.db2.gz YGQLIBPQVOZAST-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CC(C)CCc1noc(C[N@@H+](C)CCO)n1 ZINC000303412451 357124216 /nfs/dbraw/zinc/12/42/16/357124216.db2.gz YGQLIBPQVOZAST-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CCCCc1cc(N[C@H](CO)COC)nc[nH+]1 ZINC000631256636 357187628 /nfs/dbraw/zinc/18/76/28/357187628.db2.gz QTNAMLNVDZFBFE-LLVKDONJSA-N 1 2 239.319 1.238 20 0 BDADLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000050052369 357281812 /nfs/dbraw/zinc/28/18/12/357281812.db2.gz DDYDFZJQKGNNND-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(F)F ZINC000050052369 357281815 /nfs/dbraw/zinc/28/18/15/357281815.db2.gz DDYDFZJQKGNNND-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO C[C@H]1C[C@@H]1C[NH2+]Cc1[nH]ncc1Br ZINC000393713468 357293500 /nfs/dbraw/zinc/29/35/00/357293500.db2.gz CIBPDHIYZGFZGJ-NKWVEPMBSA-N 1 2 244.136 1.918 20 0 BDADLO NC(=O)c1cccc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000628427077 357256030 /nfs/dbraw/zinc/25/60/30/357256030.db2.gz FAGMZIKWCXINGI-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO CCc1onc(C)c1C(=O)NCc1c[nH+]cn1C ZINC000356788213 538818133 /nfs/dbraw/zinc/81/81/33/538818133.db2.gz ZUBCXJOJRXRBMQ-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCCc1noc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000583701582 357312463 /nfs/dbraw/zinc/31/24/63/357312463.db2.gz TXEBOXBYXGHBTE-IUCAKERBSA-N 1 2 239.319 1.271 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCc1ccccc1 ZINC000073172185 357359317 /nfs/dbraw/zinc/35/93/17/357359317.db2.gz XAZKOAKERGFTNZ-UHFFFAOYSA-N 1 2 229.283 1.242 20 0 BDADLO CC(C)(C(=O)NC[C@@H]1CC12CC2)c1c[nH]c[nH+]1 ZINC000582654902 357364886 /nfs/dbraw/zinc/36/48/86/357364886.db2.gz KPUYVUVNINFODJ-VIFPVBQESA-N 1 2 233.315 1.604 20 0 BDADLO CCCNC(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102409037 357388759 /nfs/dbraw/zinc/38/87/59/357388759.db2.gz TZDNGGOYAJEEKA-UHFFFAOYSA-N 1 2 224.304 1.628 20 0 BDADLO CCCNC(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102409037 357388761 /nfs/dbraw/zinc/38/87/61/357388761.db2.gz TZDNGGOYAJEEKA-UHFFFAOYSA-N 1 2 224.304 1.628 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613269498 357394287 /nfs/dbraw/zinc/39/42/87/357394287.db2.gz HGVKPACCVCVYDE-IJLUTSLNSA-N 1 2 247.342 1.781 20 0 BDADLO Cc1nc(NC(=O)Cn2cc[nH+]c2)cs1 ZINC000583058183 357469746 /nfs/dbraw/zinc/46/97/46/357469746.db2.gz HOQLZUSNQNMWCB-UHFFFAOYSA-N 1 2 222.273 1.287 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000583060628 357470847 /nfs/dbraw/zinc/47/08/47/357470847.db2.gz QJKKIFZENOYMJL-WISYIIOYSA-N 1 2 248.330 1.369 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396788837 357483846 /nfs/dbraw/zinc/48/38/46/357483846.db2.gz AUCZVZFRGGXALW-SNVBAGLBSA-N 1 2 209.293 1.375 20 0 BDADLO COC(C)(C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000230942315 357584951 /nfs/dbraw/zinc/58/49/51/357584951.db2.gz KTJYLEDLXVZNET-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CCC[N@H+](C)Cc1csc(NC(C)=O)n1 ZINC000063762070 357717732 /nfs/dbraw/zinc/71/77/32/357717732.db2.gz NHSQGWIAQRNLAJ-UHFFFAOYSA-N 1 2 227.333 1.943 20 0 BDADLO CCC[N@@H+](C)Cc1csc(NC(C)=O)n1 ZINC000063762070 357717735 /nfs/dbraw/zinc/71/77/35/357717735.db2.gz NHSQGWIAQRNLAJ-UHFFFAOYSA-N 1 2 227.333 1.943 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCCC1 ZINC000190972623 357735356 /nfs/dbraw/zinc/73/53/56/357735356.db2.gz AJDMTRASEHVDKM-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CS1 ZINC000397872979 357776109 /nfs/dbraw/zinc/77/61/09/357776109.db2.gz UEVMQIJJLHFDGX-SFYZADRCSA-N 1 2 249.343 1.669 20 0 BDADLO CCC1CCC([NH2+][C@@H](C(=O)OC)[C@H](C)O)CC1 ZINC000191962902 357807208 /nfs/dbraw/zinc/80/72/08/357807208.db2.gz FJKKSWFBDIKSEU-WNYYMSAVSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@@H+]1CCC(C)(C)C ZINC000192057416 357815803 /nfs/dbraw/zinc/81/58/03/357815803.db2.gz YZMFUKFZPIRDAQ-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@H+]1CCC(C)(C)C ZINC000192057416 357815809 /nfs/dbraw/zinc/81/58/09/357815809.db2.gz YZMFUKFZPIRDAQ-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CC[C@H](C)C[N@@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192068209 357817152 /nfs/dbraw/zinc/81/71/52/357817152.db2.gz KMTPGPXGNMVIMB-WDEREUQCSA-N 1 2 233.377 1.399 20 0 BDADLO CC[C@H](C)C[N@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192068209 357817154 /nfs/dbraw/zinc/81/71/54/357817154.db2.gz KMTPGPXGNMVIMB-WDEREUQCSA-N 1 2 233.377 1.399 20 0 BDADLO C/C=C\CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000623416533 357836341 /nfs/dbraw/zinc/83/63/41/357836341.db2.gz YLVHYVPHSDQXHF-PLNGDYQASA-N 1 2 248.330 1.523 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)CCC(F)(F)F ZINC000064635354 357849710 /nfs/dbraw/zinc/84/97/10/357849710.db2.gz KHUIWJBHCMXREE-UHFFFAOYSA-N 1 2 240.269 1.643 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000064635354 357849714 /nfs/dbraw/zinc/84/97/14/357849714.db2.gz KHUIWJBHCMXREE-UHFFFAOYSA-N 1 2 240.269 1.643 20 0 BDADLO C[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000235525329 357876312 /nfs/dbraw/zinc/87/63/12/357876312.db2.gz SLHJVUXRQIUIDY-CWSCBRNRSA-N 1 2 243.347 1.874 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)[C@H]1c1ccco1 ZINC000639930471 357909182 /nfs/dbraw/zinc/90/91/82/357909182.db2.gz XIZXYTYAFMQHCN-PWSUYJOCSA-N 1 2 248.326 1.941 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)[C@H]1c1ccco1 ZINC000639930471 357909185 /nfs/dbraw/zinc/90/91/85/357909185.db2.gz XIZXYTYAFMQHCN-PWSUYJOCSA-N 1 2 248.326 1.941 20 0 BDADLO CSCC[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000073828761 357929986 /nfs/dbraw/zinc/92/99/86/357929986.db2.gz FTUXWERVKVOERU-JTQLQIEISA-N 1 2 241.360 1.483 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csnn2)[C@H](CO)C1 ZINC000639938442 357943682 /nfs/dbraw/zinc/94/36/82/357943682.db2.gz XUCUYCHPBCGOID-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csnn2)[C@H](CO)C1 ZINC000639938442 357943684 /nfs/dbraw/zinc/94/36/84/357943684.db2.gz XUCUYCHPBCGOID-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](O)C[C@H]2C)s1 ZINC000639938139 357947215 /nfs/dbraw/zinc/94/72/15/357947215.db2.gz NTBLVSWBNOFSHJ-VXNVDRBHSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)s1 ZINC000639938139 357947216 /nfs/dbraw/zinc/94/72/16/357947216.db2.gz NTBLVSWBNOFSHJ-VXNVDRBHSA-N 1 2 227.333 1.192 20 0 BDADLO CSCCCNc1nc(C)[nH+]cc1C ZINC000583822961 357958616 /nfs/dbraw/zinc/95/86/16/357958616.db2.gz DKTIZRCFPOFSOH-UHFFFAOYSA-N 1 2 211.334 1.680 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCCO1)C(C)C ZINC000035151186 357970918 /nfs/dbraw/zinc/97/09/18/357970918.db2.gz QPAMRGWUOZGHQU-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO COc1ccccc1C[NH2+]Cc1ccno1 ZINC000219194518 357979979 /nfs/dbraw/zinc/97/99/79/357979979.db2.gz JOJICYXGQVJMBI-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO Cc1[nH]c(CNCc2noc(C3CC3)n2)[nH+]c1C ZINC000584480637 357996702 /nfs/dbraw/zinc/99/67/02/357996702.db2.gz IYPDTOLINCHQNZ-UHFFFAOYSA-N 1 2 247.302 1.577 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccno1 ZINC000639967622 358021015 /nfs/dbraw/zinc/02/10/15/358021015.db2.gz LRIZIVYHASYQMT-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccno1 ZINC000639967622 358021016 /nfs/dbraw/zinc/02/10/16/358021016.db2.gz LRIZIVYHASYQMT-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CCCCOCC[N@H+](C)Cc1cn[nH]c1C ZINC000639966792 358021038 /nfs/dbraw/zinc/02/10/38/358021038.db2.gz FCCODFBBRKZEKC-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO CCCCOCC[N@@H+](C)Cc1cn[nH]c1C ZINC000639966792 358021039 /nfs/dbraw/zinc/02/10/39/358021039.db2.gz FCCODFBBRKZEKC-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2cn[nH]c2C)c1 ZINC000639971300 358022074 /nfs/dbraw/zinc/02/20/74/358022074.db2.gz ZLIBBSPXIXDFQA-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2cn[nH]c2C)c1 ZINC000639971300 358022075 /nfs/dbraw/zinc/02/20/75/358022075.db2.gz ZLIBBSPXIXDFQA-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO FCCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000639989823 358025779 /nfs/dbraw/zinc/02/57/79/358025779.db2.gz NZTYVXWVFREMIR-UHFFFAOYSA-N 1 2 212.272 1.376 20 0 BDADLO FCCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000639989823 358025780 /nfs/dbraw/zinc/02/57/80/358025780.db2.gz NZTYVXWVFREMIR-UHFFFAOYSA-N 1 2 212.272 1.376 20 0 BDADLO FCCC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000639989823 358025784 /nfs/dbraw/zinc/02/57/84/358025784.db2.gz NZTYVXWVFREMIR-UHFFFAOYSA-N 1 2 212.272 1.376 20 0 BDADLO C[C@H](c1nnnn1C)[NH+]1CCC(CCF)CC1 ZINC000639989687 358032518 /nfs/dbraw/zinc/03/25/18/358032518.db2.gz LEPFRZNUJRTHET-SECBINFHSA-N 1 2 241.314 1.343 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000584532619 358042642 /nfs/dbraw/zinc/04/26/42/358042642.db2.gz ZHZPIKGQHIGSSE-TUAOUCFPSA-N 1 2 247.342 1.845 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000610662226 358047101 /nfs/dbraw/zinc/04/71/01/358047101.db2.gz ZPLQBZISKMMIFT-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662226 358047103 /nfs/dbraw/zinc/04/71/03/358047103.db2.gz ZPLQBZISKMMIFT-NSHDSACASA-N 1 2 239.319 1.573 20 0 BDADLO CC[C@]1(O)CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000640035176 358123259 /nfs/dbraw/zinc/12/32/59/358123259.db2.gz GWKZNECRBZRQDG-NSHDSACASA-N 1 2 241.360 1.583 20 0 BDADLO CC[C@]1(O)CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000640035176 358123262 /nfs/dbraw/zinc/12/32/62/358123262.db2.gz GWKZNECRBZRQDG-NSHDSACASA-N 1 2 241.360 1.583 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000450623440 202214924 /nfs/dbraw/zinc/21/49/24/202214924.db2.gz PYHDHRLVDZZBIG-KKZNHRDASA-N 1 2 241.360 1.692 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000450623440 202214926 /nfs/dbraw/zinc/21/49/26/202214926.db2.gz PYHDHRLVDZZBIG-KKZNHRDASA-N 1 2 241.360 1.692 20 0 BDADLO c1cc(C[N@H+](Cc2ccncc2)C2CC2)n[nH]1 ZINC000450630590 202217361 /nfs/dbraw/zinc/21/73/61/202217361.db2.gz WZLXFGHXKRFVBI-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO c1cc(C[N@@H+](Cc2ccncc2)C2CC2)n[nH]1 ZINC000450630590 202217362 /nfs/dbraw/zinc/21/73/62/202217362.db2.gz WZLXFGHXKRFVBI-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO O=c1cc(C[NH+]2CCCCCC2)nc2cc[nH]n21 ZINC000104094741 358188152 /nfs/dbraw/zinc/18/81/52/358188152.db2.gz RTEQRWKENWJSAR-UHFFFAOYSA-N 1 2 246.314 1.399 20 0 BDADLO FC(F)C[N@H+](CC1CCC1)C[C@H]1COCCO1 ZINC000450638520 202220033 /nfs/dbraw/zinc/22/00/33/202220033.db2.gz SSUGQSLMWCXEAW-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO FC(F)C[N@@H+](CC1CCC1)C[C@H]1COCCO1 ZINC000450638520 202220037 /nfs/dbraw/zinc/22/00/37/202220037.db2.gz SSUGQSLMWCXEAW-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC12COC2 ZINC000640127081 358205210 /nfs/dbraw/zinc/20/52/10/358205210.db2.gz YKQHJMLKZBTWSR-UHFFFAOYSA-N 1 2 247.298 1.705 20 0 BDADLO c1cn(CCN2Cc3ccccc3CO2)c[nH+]1 ZINC000640126433 358205537 /nfs/dbraw/zinc/20/55/37/358205537.db2.gz KFQXXXWCTRFABV-UHFFFAOYSA-N 1 2 229.283 1.831 20 0 BDADLO CCc1nnc(C[N@H+](C)CC(C)(C)OC)[nH]1 ZINC000547464624 325358820 /nfs/dbraw/zinc/35/88/20/325358820.db2.gz YKLMLKJHTQDQJL-UHFFFAOYSA-N 1 2 226.324 1.224 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC(C)(C)OC)[nH]1 ZINC000547464624 325358822 /nfs/dbraw/zinc/35/88/22/325358822.db2.gz YKLMLKJHTQDQJL-UHFFFAOYSA-N 1 2 226.324 1.224 20 0 BDADLO NC(=O)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000147425618 181295954 /nfs/dbraw/zinc/29/59/54/181295954.db2.gz GKVLJCPSUBBFDR-UHFFFAOYSA-N 1 2 214.215 1.140 20 0 BDADLO Cc1noc(C[NH2+][C@@H](C)c2cnc(C)s2)n1 ZINC000090408221 491126338 /nfs/dbraw/zinc/12/63/38/491126338.db2.gz OHQGGRHCQRYLEO-LURJTMIESA-N 1 2 238.316 1.994 20 0 BDADLO C[C@@H]([NH2+]Cc1noc(C(C)(C)C)n1)[C@H](C)CO ZINC000450733344 202250081 /nfs/dbraw/zinc/25/00/81/202250081.db2.gz OZYUAZHWEGMDDJ-RKDXNWHRSA-N 1 2 241.335 1.474 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]nn1)[C@@H]1COc2ccccc21 ZINC000450734679 202249468 /nfs/dbraw/zinc/24/94/68/202249468.db2.gz CZRLTKQEBIULIN-SKDRFNHKSA-N 1 2 244.298 1.459 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]n1)[C@@H]1COc2ccccc21 ZINC000450734679 202249471 /nfs/dbraw/zinc/24/94/71/202249471.db2.gz CZRLTKQEBIULIN-SKDRFNHKSA-N 1 2 244.298 1.459 20 0 BDADLO Cc1nc(NC[C@H]2CCOC3(CCC3)C2)cc[nH+]1 ZINC000450717495 202243754 /nfs/dbraw/zinc/24/37/54/202243754.db2.gz LCQKYQCCDQHSRL-LBPRGKRZSA-N 1 2 247.342 1.968 20 0 BDADLO CCC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000450735965 202251525 /nfs/dbraw/zinc/25/15/25/202251525.db2.gz CUZNIQWKVJNCTG-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO CCCc1noc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000351182958 366443002 /nfs/dbraw/zinc/44/30/02/366443002.db2.gz KYJOAJPZKDPVGY-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CCCc1noc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000351182958 366443008 /nfs/dbraw/zinc/44/30/08/366443008.db2.gz KYJOAJPZKDPVGY-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@@H](O)CCC[NH+]1CCN(CC2CC2)CC1 ZINC000045620628 358564177 /nfs/dbraw/zinc/56/41/77/358564177.db2.gz KGHBTJFCZRHXCU-GFCCVEGCSA-N 1 2 226.364 1.175 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569834 358526731 /nfs/dbraw/zinc/52/67/31/358526731.db2.gz HDPSSCBMFMAHFN-GMTAPVOTSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569834 358526732 /nfs/dbraw/zinc/52/67/32/358526732.db2.gz HDPSSCBMFMAHFN-GMTAPVOTSA-N 1 2 228.336 1.010 20 0 BDADLO COCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000048809716 358656348 /nfs/dbraw/zinc/65/63/48/358656348.db2.gz RCSZXVDZYVJXAC-UHFFFAOYSA-N 1 2 249.245 1.596 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc[nH]c1 ZINC000131191099 358665275 /nfs/dbraw/zinc/66/52/75/358665275.db2.gz CMSBZHGAFNNTRH-UHFFFAOYSA-N 1 2 246.314 1.797 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cn[nH]c1 ZINC000131221149 358666063 /nfs/dbraw/zinc/66/60/63/358666063.db2.gz OREUGXZKRHUUGK-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO CO[C@@H](C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000049118401 358673352 /nfs/dbraw/zinc/67/33/52/358673352.db2.gz LKVCMMKLYNRNKF-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000133155909 358747507 /nfs/dbraw/zinc/74/75/07/358747507.db2.gz MUWKDPOHKWXXJL-VHSXEESVSA-N 1 2 249.314 1.511 20 0 BDADLO C[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000133331796 358750878 /nfs/dbraw/zinc/75/08/78/358750878.db2.gz RMZUIDARNAPFBA-BDAKNGLRSA-N 1 2 231.303 1.964 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000051886801 358765153 /nfs/dbraw/zinc/76/51/53/358765153.db2.gz SSKQDZSCROYVEY-MRVPVSSYSA-N 1 2 231.246 1.092 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000051886801 358765156 /nfs/dbraw/zinc/76/51/56/358765156.db2.gz SSKQDZSCROYVEY-MRVPVSSYSA-N 1 2 231.246 1.092 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000050064162 358711705 /nfs/dbraw/zinc/71/17/05/358711705.db2.gz HLNZEQDQBFLSQS-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000050064162 358711706 /nfs/dbraw/zinc/71/17/06/358711706.db2.gz HLNZEQDQBFLSQS-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]2CO)no1 ZINC000050115654 358717478 /nfs/dbraw/zinc/71/74/78/358717478.db2.gz JCCBWBTXDWATDJ-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H]2CO)no1 ZINC000050115654 358717480 /nfs/dbraw/zinc/71/74/80/358717480.db2.gz JCCBWBTXDWATDJ-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135928452 358857039 /nfs/dbraw/zinc/85/70/39/358857039.db2.gz ZPCMFTGXGCNFPD-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO COC(=O)C[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000058575163 358912678 /nfs/dbraw/zinc/91/26/78/358912678.db2.gz STTBOJCFWKYMPK-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)C[N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000058575163 358912682 /nfs/dbraw/zinc/91/26/82/358912682.db2.gz STTBOJCFWKYMPK-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)n1 ZINC000640219978 358881886 /nfs/dbraw/zinc/88/18/86/358881886.db2.gz PGGNADIFZQRYMZ-CYBMUJFWSA-N 1 2 249.362 1.755 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@]2(C)C2CCCCC2)n1 ZINC000640219978 358881889 /nfs/dbraw/zinc/88/18/89/358881889.db2.gz PGGNADIFZQRYMZ-CYBMUJFWSA-N 1 2 249.362 1.755 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)[nH]1 ZINC000640220767 358889479 /nfs/dbraw/zinc/88/94/79/358889479.db2.gz OQMBCIOPJHXWGV-WCBMZHEXSA-N 1 2 246.318 1.495 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@H]2CCCn3nccc32)[nH]1 ZINC000640220854 358889640 /nfs/dbraw/zinc/88/96/40/358889640.db2.gz OQMBCIOPJHXWGV-WPRPVWTQSA-N 1 2 246.318 1.495 20 0 BDADLO O[C@H](COCc1ccco1)Cn1cc[nH+]c1 ZINC000057371555 358903981 /nfs/dbraw/zinc/90/39/81/358903981.db2.gz UEYFWQZXYPJNIR-JTQLQIEISA-N 1 2 222.244 1.054 20 0 BDADLO CC[C@H](NC(=O)c1cccc(C)n1)c1[nH]cc[nH+]1 ZINC000140456799 358922280 /nfs/dbraw/zinc/92/22/80/358922280.db2.gz AMJAIALLPYCTPU-JTQLQIEISA-N 1 2 244.298 1.994 20 0 BDADLO CC[C@@H](NC(=O)c1cncc(F)c1)c1[nH]cc[nH+]1 ZINC000140494801 358922420 /nfs/dbraw/zinc/92/24/20/358922420.db2.gz IDIBHUUZMZDBDI-SNVBAGLBSA-N 1 2 248.261 1.825 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N1OC2CCC1CC2 ZINC000640230969 358944313 /nfs/dbraw/zinc/94/43/13/358944313.db2.gz XGWLLZHGQVQAHJ-PNESKVBLSA-N 1 2 240.347 1.266 20 0 BDADLO CCOCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000070249026 359046339 /nfs/dbraw/zinc/04/63/39/359046339.db2.gz WMWKAJWAUYGYKO-UHFFFAOYSA-N 1 2 233.271 1.846 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]1C(F)F ZINC000633241981 358995441 /nfs/dbraw/zinc/99/54/41/358995441.db2.gz XISREFVVCMWWOG-SSDOTTSWSA-N 1 2 229.230 1.208 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000070978950 359068034 /nfs/dbraw/zinc/06/80/34/359068034.db2.gz PVPQMRZGOMVSFU-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1Cc2ccccc2O1 ZINC000070989953 359069133 /nfs/dbraw/zinc/06/91/33/359069133.db2.gz HGBKLOVPHSKWSY-NSHDSACASA-N 1 2 243.266 1.030 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(O)c1 ZINC000071030737 359069683 /nfs/dbraw/zinc/06/96/83/359069683.db2.gz UXUJVYXKOFGAAR-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO O=C(CCc1ccccc1O)NCc1[nH]cc[nH+]1 ZINC000070991350 359070064 /nfs/dbraw/zinc/07/00/64/359070064.db2.gz GHKSRDHHQWUKPK-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)cc(F)c1 ZINC000070990439 359070074 /nfs/dbraw/zinc/07/00/74/359070074.db2.gz NGUCZZOLRDIYHR-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1c(F)cccc1F ZINC000070990493 359070107 /nfs/dbraw/zinc/07/01/07/359070107.db2.gz ORNLQRBJCPZZNE-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO Cc1ccccc1CCC(=O)NCc1[nH]cc[nH+]1 ZINC000070990974 359070191 /nfs/dbraw/zinc/07/01/91/359070191.db2.gz LCXSITATJITBGB-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1cc(NC(=O)CN2CCCCC2=O)cc[nH+]1 ZINC000074695917 359125318 /nfs/dbraw/zinc/12/53/18/359125318.db2.gz AYDWVHSRMVCOLE-UHFFFAOYSA-N 1 2 247.298 1.341 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)Cn1cc[nH+]c1 ZINC000246577478 359147820 /nfs/dbraw/zinc/14/78/20/359147820.db2.gz VUKPNCGTKQWNRP-KGYLQXTDSA-N 1 2 247.342 1.682 20 0 BDADLO Fc1ccc(C[NH2+]Cc2nccs2)nc1 ZINC000308862808 491139311 /nfs/dbraw/zinc/13/93/11/491139311.db2.gz CDSNXSLRAIDXJV-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000247703234 359241903 /nfs/dbraw/zinc/24/19/03/359241903.db2.gz YHUFJJYFBMTHNH-RKDXNWHRSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000247703234 359241907 /nfs/dbraw/zinc/24/19/07/359241907.db2.gz YHUFJJYFBMTHNH-RKDXNWHRSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000247988761 359250880 /nfs/dbraw/zinc/25/08/80/359250880.db2.gz JBYNOIXZSLWXTA-ZJUUUORDSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000247988761 359250882 /nfs/dbraw/zinc/25/08/82/359250882.db2.gz JBYNOIXZSLWXTA-ZJUUUORDSA-N 1 2 224.304 1.901 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCCO1 ZINC000247171267 359199727 /nfs/dbraw/zinc/19/97/27/359199727.db2.gz UCYBTXFRUUDJBF-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H]1CCCO1 ZINC000247171267 359199729 /nfs/dbraw/zinc/19/97/29/359199729.db2.gz UCYBTXFRUUDJBF-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCC1(O)CCN(c2cccc[nH+]2)CC1 ZINC000078453755 359327074 /nfs/dbraw/zinc/32/70/74/359327074.db2.gz DZANIIXVIUNUJO-UHFFFAOYSA-N 1 2 206.289 1.823 20 0 BDADLO Cn1c[nH+]cc1CN[C@H]1CCCC1(F)F ZINC000308894574 491139890 /nfs/dbraw/zinc/13/98/90/491139890.db2.gz ZBLZIWNLDFCORY-VIFPVBQESA-N 1 2 215.247 1.698 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000611796496 359452512 /nfs/dbraw/zinc/45/25/12/359452512.db2.gz ZWULUYKRPQIQEK-ZJUUUORDSA-N 1 2 237.303 1.149 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000611796493 359452926 /nfs/dbraw/zinc/45/29/26/359452926.db2.gz ZWULUYKRPQIQEK-NXEZZACHSA-N 1 2 237.303 1.149 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2ccc(Br)n2)C1 ZINC000306265896 359489221 /nfs/dbraw/zinc/48/92/21/359489221.db2.gz FWCIBQBUGRTRTC-MRVPVSSYSA-N 1 2 244.136 1.945 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2ccc(Br)n2)C1 ZINC000306265896 359489223 /nfs/dbraw/zinc/48/92/23/359489223.db2.gz FWCIBQBUGRTRTC-MRVPVSSYSA-N 1 2 244.136 1.945 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000574992626 359531534 /nfs/dbraw/zinc/53/15/34/359531534.db2.gz RSHTVJMEWYFOJT-NXEZZACHSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1cc(N[C@@H]2CCS[C@H]2C)c(C#N)c[nH+]1 ZINC000399576577 359649690 /nfs/dbraw/zinc/64/96/90/359649690.db2.gz KKBXUTUOFMLZKT-GXSJLCMTSA-N 1 2 233.340 1.990 20 0 BDADLO COC[C@]1(C)C[N@H+](CC2(F)CC2)CCO1 ZINC000628496950 359702171 /nfs/dbraw/zinc/70/21/71/359702171.db2.gz CJLBRCMPDFMWLU-JTQLQIEISA-N 1 2 217.284 1.226 20 0 BDADLO COC[C@]1(C)C[N@@H+](CC2(F)CC2)CCO1 ZINC000628496950 359702173 /nfs/dbraw/zinc/70/21/73/359702173.db2.gz CJLBRCMPDFMWLU-JTQLQIEISA-N 1 2 217.284 1.226 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@H](C)O ZINC000450787711 202266990 /nfs/dbraw/zinc/26/69/90/202266990.db2.gz BLRBOKOFHCIVAU-WPRPVWTQSA-N 1 2 221.304 1.347 20 0 BDADLO CC[C@H](Nc1cc[nH+]c2ccncc12)[C@@H](C)O ZINC000450794098 202267449 /nfs/dbraw/zinc/26/74/49/202267449.db2.gz JLIHUPQEKDYOAO-KOLCDFICSA-N 1 2 231.299 1.623 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000450806823 202272183 /nfs/dbraw/zinc/27/21/83/202272183.db2.gz FYMNJSZAGZYIMZ-YUMQZZPRSA-N 1 2 240.738 1.838 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNc1[nH+]cnc(N)c1Cl ZINC000450806823 202272186 /nfs/dbraw/zinc/27/21/86/202272186.db2.gz FYMNJSZAGZYIMZ-YUMQZZPRSA-N 1 2 240.738 1.838 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000045771088 359736720 /nfs/dbraw/zinc/73/67/20/359736720.db2.gz BXGDVWJLMQMFJL-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000045771088 359736722 /nfs/dbraw/zinc/73/67/22/359736722.db2.gz BXGDVWJLMQMFJL-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO CCCc1ncc(CNc2cc(C)[nH+]cn2)o1 ZINC000450846633 202285231 /nfs/dbraw/zinc/28/52/31/202285231.db2.gz MTYMCZONRCDAHP-UHFFFAOYSA-N 1 2 232.287 1.760 20 0 BDADLO CCC(=O)CCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000450850059 202287409 /nfs/dbraw/zinc/28/74/09/202287409.db2.gz ZXDLZIKISXAFKX-CDMJZVDBSA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000450850059 202287411 /nfs/dbraw/zinc/28/74/11/202287411.db2.gz ZXDLZIKISXAFKX-CDMJZVDBSA-N 1 2 245.388 1.587 20 0 BDADLO Cc1cc(N[C@@H](C)c2ccon2)nc[nH+]1 ZINC000309087974 491144326 /nfs/dbraw/zinc/14/43/26/491144326.db2.gz ACOHJLVZWXCQGK-QMMMGPOBSA-N 1 2 204.233 1.946 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000450969753 202322933 /nfs/dbraw/zinc/32/29/33/202322933.db2.gz LVOJJPCGJPWDHX-VHSXEESVSA-N 1 2 226.349 1.569 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000450969753 202322935 /nfs/dbraw/zinc/32/29/35/202322935.db2.gz LVOJJPCGJPWDHX-VHSXEESVSA-N 1 2 226.349 1.569 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1csnn1 ZINC000450991633 202329795 /nfs/dbraw/zinc/32/97/95/202329795.db2.gz NEBTYVYYVDTTOK-HTQZYQBOSA-N 1 2 215.322 1.566 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1csnn1 ZINC000450991633 202329798 /nfs/dbraw/zinc/32/97/98/202329798.db2.gz NEBTYVYYVDTTOK-HTQZYQBOSA-N 1 2 215.322 1.566 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451120446 202353877 /nfs/dbraw/zinc/35/38/77/202353877.db2.gz KDNOAKHKHQVXPN-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451120446 202353879 /nfs/dbraw/zinc/35/38/79/202353879.db2.gz KDNOAKHKHQVXPN-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451180320 202370232 /nfs/dbraw/zinc/37/02/32/202370232.db2.gz CQBBSDIHBCGELL-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451180320 202370236 /nfs/dbraw/zinc/37/02/36/202370236.db2.gz CQBBSDIHBCGELL-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451119837 202357500 /nfs/dbraw/zinc/35/75/00/202357500.db2.gz HXEZGYUUGQHQHG-YPMHNXCESA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000451119837 202357504 /nfs/dbraw/zinc/35/75/04/202357504.db2.gz HXEZGYUUGQHQHG-YPMHNXCESA-N 1 2 244.354 1.971 20 0 BDADLO O=[S@@](CC[N@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000451190446 202372985 /nfs/dbraw/zinc/37/29/85/202372985.db2.gz QPIATRBBNIWUPG-BZNIZROVSA-N 1 2 241.331 1.838 20 0 BDADLO O=[S@@](CC[N@@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000451190446 202372990 /nfs/dbraw/zinc/37/29/90/202372990.db2.gz QPIATRBBNIWUPG-BZNIZROVSA-N 1 2 241.331 1.838 20 0 BDADLO FC(F)C(F)(F)COCC[N@@H+]1CC[C@H](F)C1 ZINC000451198756 202380470 /nfs/dbraw/zinc/38/04/70/202380470.db2.gz PUCXHBRNBUFSES-ZETCQYMHSA-N 1 2 247.207 1.947 20 0 BDADLO FC(F)C(F)(F)COCC[N@H+]1CC[C@H](F)C1 ZINC000451198756 202380474 /nfs/dbraw/zinc/38/04/74/202380474.db2.gz PUCXHBRNBUFSES-ZETCQYMHSA-N 1 2 247.207 1.947 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(C)C ZINC000451219485 202382041 /nfs/dbraw/zinc/38/20/41/202382041.db2.gz UNJOXVROOFCUTF-UTUOFQBUSA-N 1 2 243.347 1.730 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CCCF ZINC000612580930 359892405 /nfs/dbraw/zinc/89/24/05/359892405.db2.gz CWYWWWRENBYDFN-UHFFFAOYSA-N 1 2 227.283 1.481 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCCF)ccn12 ZINC000578548292 366597579 /nfs/dbraw/zinc/59/75/79/366597579.db2.gz SDQLCCINFHZXGE-UHFFFAOYSA-N 1 2 221.235 1.342 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)CC(C)(C)CO ZINC000451257298 202389096 /nfs/dbraw/zinc/38/90/96/202389096.db2.gz VCAWUKKWALNWOB-MRVPVSSYSA-N 1 2 229.349 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)CC(C)(C)CO ZINC000451257298 202389098 /nfs/dbraw/zinc/38/90/98/202389098.db2.gz VCAWUKKWALNWOB-MRVPVSSYSA-N 1 2 229.349 1.549 20 0 BDADLO CCN(C(=O)Cn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000578617933 366608343 /nfs/dbraw/zinc/60/83/43/366608343.db2.gz CZPBRKVENPWVFF-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2ncnn2C)c(C)o1 ZINC000088572157 359966968 /nfs/dbraw/zinc/96/69/68/359966968.db2.gz WITFGVMMBHIFDI-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO CC(C)n1cccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088759114 359975455 /nfs/dbraw/zinc/97/54/55/359975455.db2.gz CJSMWCIBAYGZDM-UHFFFAOYSA-N 1 2 232.287 1.722 20 0 BDADLO CC(C)n1cccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088759114 359975457 /nfs/dbraw/zinc/97/54/57/359975457.db2.gz CJSMWCIBAYGZDM-UHFFFAOYSA-N 1 2 232.287 1.722 20 0 BDADLO COCc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088759083 359975634 /nfs/dbraw/zinc/97/56/34/359975634.db2.gz MOMFUPUDDPFAGQ-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO COCc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088759083 359975640 /nfs/dbraw/zinc/97/56/40/359975640.db2.gz MOMFUPUDDPFAGQ-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO O=C(Cc1ccccc1Cl)NCc1c[nH+]c[nH]1 ZINC000088759392 359976914 /nfs/dbraw/zinc/97/69/14/359976914.db2.gz YMBUSJPTXSAIQG-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO O=C(Cc1ccccc1Cl)NCc1c[nH]c[nH+]1 ZINC000088759392 359976919 /nfs/dbraw/zinc/97/69/19/359976919.db2.gz YMBUSJPTXSAIQG-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO Cn1ccnc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000169270961 360019846 /nfs/dbraw/zinc/01/98/46/360019846.db2.gz SOPCLFLDSDCPSS-AWEZNQCLSA-N 1 2 245.326 1.417 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612744995 360044971 /nfs/dbraw/zinc/04/49/71/360044971.db2.gz ICQGAOLLKGUZTN-VXGBXAGGSA-N 1 2 247.342 1.782 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000451625798 202452159 /nfs/dbraw/zinc/45/21/59/202452159.db2.gz YKAHXVNXXBXCRE-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccccn1 ZINC000309262377 491146993 /nfs/dbraw/zinc/14/69/93/491146993.db2.gz IKDSZOKHUUMQJK-SNVBAGLBSA-N 1 2 216.288 1.666 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000090579335 360078514 /nfs/dbraw/zinc/07/85/14/360078514.db2.gz UXXMHALTJWFHHA-IVZWLZJFSA-N 1 2 229.320 1.484 20 0 BDADLO Cn1cccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000092586789 360183696 /nfs/dbraw/zinc/18/36/96/360183696.db2.gz IHTRTSSEXKQYJV-UHFFFAOYSA-N 1 2 243.301 1.408 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCOCC12CCC2 ZINC000093510760 360254410 /nfs/dbraw/zinc/25/44/10/360254410.db2.gz ARGKFTWNNVCTDE-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCOCC12CCC2 ZINC000093510760 360254414 /nfs/dbraw/zinc/25/44/14/360254414.db2.gz ARGKFTWNNVCTDE-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO OCc1ccc(C[N@@H+]2CCOCC23CCC3)o1 ZINC000093510256 360254611 /nfs/dbraw/zinc/25/46/11/360254611.db2.gz JXGYAVFTCKMFII-UHFFFAOYSA-N 1 2 237.299 1.527 20 0 BDADLO OCc1ccc(C[N@H+]2CCOCC23CCC3)o1 ZINC000093510256 360254615 /nfs/dbraw/zinc/25/46/15/360254615.db2.gz JXGYAVFTCKMFII-UHFFFAOYSA-N 1 2 237.299 1.527 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000613000816 360258526 /nfs/dbraw/zinc/25/85/26/360258526.db2.gz DCXLAJIJICXVJK-KOLCDFICSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000613000816 360258530 /nfs/dbraw/zinc/25/85/30/360258530.db2.gz DCXLAJIJICXVJK-KOLCDFICSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000612969522 360226510 /nfs/dbraw/zinc/22/65/10/360226510.db2.gz HYELMWUNQSOEAS-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000612969522 360226514 /nfs/dbraw/zinc/22/65/14/360226514.db2.gz HYELMWUNQSOEAS-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000093419540 360240689 /nfs/dbraw/zinc/24/06/89/360240689.db2.gz ZLIRALSVFSWYCA-LBPRGKRZSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)c(C)[nH+]1 ZINC000094666436 360314912 /nfs/dbraw/zinc/31/49/12/360314912.db2.gz YMARDIXQPAQRTR-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO c1cn(CCNc2ncnc3c2CCCC3)c[nH+]1 ZINC000094871983 360324108 /nfs/dbraw/zinc/32/41/08/360324108.db2.gz VSFNSDBSNTXDIV-UHFFFAOYSA-N 1 2 243.314 1.664 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000096785901 360355493 /nfs/dbraw/zinc/35/54/93/360355493.db2.gz ZROCHHQBSUPNDC-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614150782 363736781 /nfs/dbraw/zinc/73/67/81/363736781.db2.gz CNBOPTNVAZLRCS-XHSYRHOGSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614150782 363736783 /nfs/dbraw/zinc/73/67/83/363736783.db2.gz CNBOPTNVAZLRCS-XHSYRHOGSA-N 1 2 245.326 1.429 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000060038183 360425613 /nfs/dbraw/zinc/42/56/13/360425613.db2.gz CDCCBUIFYUFVCB-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOCC1(C)C ZINC000060038183 360425618 /nfs/dbraw/zinc/42/56/18/360425618.db2.gz CDCCBUIFYUFVCB-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO O[C@@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631100213 360536525 /nfs/dbraw/zinc/53/65/25/360536525.db2.gz RIENYWDYQHMRJA-GFCCVEGCSA-N 1 2 214.268 1.806 20 0 BDADLO Cc1cc(N2CC[C@H](O)[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000631532407 360630609 /nfs/dbraw/zinc/63/06/09/360630609.db2.gz AJJWUPNEEGMTDJ-UPJWGTAASA-N 1 2 247.342 1.915 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N(C1CC1)C1CC1 ZINC000628813453 360665891 /nfs/dbraw/zinc/66/58/91/360665891.db2.gz SACQDZPYXWICGO-JTQLQIEISA-N 1 2 245.326 1.599 20 0 BDADLO NC(=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714654 181305265 /nfs/dbraw/zinc/30/52/65/181305265.db2.gz GMAQKVCJAWCRPO-UHFFFAOYSA-N 1 2 216.244 1.121 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N(C1CC1)C1CC1 ZINC000628814346 360677168 /nfs/dbraw/zinc/67/71/68/360677168.db2.gz HJFMCZMQVBNZAL-UHFFFAOYSA-N 1 2 233.315 1.506 20 0 BDADLO CCC(F)(F)CNC(=O)Cc1c[nH+]cn1C ZINC000628841238 360697330 /nfs/dbraw/zinc/69/73/30/360697330.db2.gz KWMHOJWVHVXCOI-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO CCC(F)(F)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000628841710 360698374 /nfs/dbraw/zinc/69/83/74/360698374.db2.gz VFASXQGHWZHQKQ-UHFFFAOYSA-N 1 2 231.246 1.422 20 0 BDADLO CCCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628917377 360752477 /nfs/dbraw/zinc/75/24/77/360752477.db2.gz IFKXUGDXYSZOMZ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628917377 360752481 /nfs/dbraw/zinc/75/24/81/360752481.db2.gz IFKXUGDXYSZOMZ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1nc(N2CCC[C@H](CC(C)C)C2)nc(N)[nH+]1 ZINC000631163634 360739062 /nfs/dbraw/zinc/73/90/62/360739062.db2.gz HDWCVTYZCAKWSG-LLVKDONJSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](CC(C)C)C2)[nH+]1 ZINC000631163634 360739065 /nfs/dbraw/zinc/73/90/65/360739065.db2.gz HDWCVTYZCAKWSG-LLVKDONJSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1[nH]c(C(=O)NCC(=O)C2(C)CCCC2)c[nH+]1 ZINC000629000484 360789724 /nfs/dbraw/zinc/78/97/24/360789724.db2.gz FUGVPUWKGQMWQX-UHFFFAOYSA-N 1 2 249.314 1.597 20 0 BDADLO CCCC[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000154526336 360808587 /nfs/dbraw/zinc/80/85/87/360808587.db2.gz CQNWDJVXLWKKIK-LLVKDONJSA-N 1 2 239.319 1.242 20 0 BDADLO C/C=C/CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000629031491 360808605 /nfs/dbraw/zinc/80/86/05/360808605.db2.gz PYKHTQLJCUGKIL-NSCUHMNNSA-N 1 2 233.315 1.454 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629048413 360848072 /nfs/dbraw/zinc/84/80/72/360848072.db2.gz LYLQPTZWQRWBLM-GNXNZQSNSA-N 1 2 247.342 1.515 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccco1 ZINC000169798415 361131653 /nfs/dbraw/zinc/13/16/53/361131653.db2.gz BZRGQDABTZYCNB-VIFPVBQESA-N 1 2 231.255 1.221 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000169798388 361132378 /nfs/dbraw/zinc/13/23/78/361132378.db2.gz ZOWIUCCMSUQQOI-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO COC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169807224 361142345 /nfs/dbraw/zinc/14/23/45/361142345.db2.gz MSTXTEGIIPRNHA-QMMMGPOBSA-N 1 2 209.249 1.356 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000640401061 361196555 /nfs/dbraw/zinc/19/65/55/361196555.db2.gz PFSJFCPTSKTAIZ-JTQLQIEISA-N 1 2 249.314 1.040 20 0 BDADLO CC(F)(F)CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000640421854 361212473 /nfs/dbraw/zinc/21/24/73/361212473.db2.gz SSYYTUWXZUCSLG-UHFFFAOYSA-N 1 2 243.257 1.661 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579000204 366691607 /nfs/dbraw/zinc/69/16/07/366691607.db2.gz BINQJFUWRPHKSZ-QWRGUYRKSA-N 1 2 224.348 1.633 20 0 BDADLO CCC(CC)n1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640482707 361268970 /nfs/dbraw/zinc/26/89/70/361268970.db2.gz SOTVNJZZPBOJFY-BXUZGUMPSA-N 1 2 249.358 1.811 20 0 BDADLO CCC(CC)n1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640482707 361268975 /nfs/dbraw/zinc/26/89/75/361268975.db2.gz SOTVNJZZPBOJFY-BXUZGUMPSA-N 1 2 249.358 1.811 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000428349311 201012243 /nfs/dbraw/zinc/01/22/43/201012243.db2.gz REUSPVSVLSZASB-GRYCIOLGSA-N 1 2 235.331 1.955 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000428349311 201012244 /nfs/dbraw/zinc/01/22/44/201012244.db2.gz REUSPVSVLSZASB-GRYCIOLGSA-N 1 2 235.331 1.955 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000579193637 366731057 /nfs/dbraw/zinc/73/10/57/366731057.db2.gz YCOSRCSDUCWFJJ-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000579193638 366731398 /nfs/dbraw/zinc/73/13/98/366731398.db2.gz YCOSRCSDUCWFJJ-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ncn1 ZINC000428418203 201013928 /nfs/dbraw/zinc/01/39/28/201013928.db2.gz FGAJLIMERICSSD-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ncn1 ZINC000428418203 201013929 /nfs/dbraw/zinc/01/39/29/201013929.db2.gz FGAJLIMERICSSD-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO COCC[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428448734 201018065 /nfs/dbraw/zinc/01/80/65/201018065.db2.gz STNRUEYXWPZGDK-UHFFFAOYSA-N 1 2 212.297 1.006 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428448734 201018068 /nfs/dbraw/zinc/01/80/68/201018068.db2.gz STNRUEYXWPZGDK-UHFFFAOYSA-N 1 2 212.297 1.006 20 0 BDADLO CC(C)c1nc(CN2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000428472822 201022577 /nfs/dbraw/zinc/02/25/77/201022577.db2.gz JXPYXFXEXCNUPD-UHFFFAOYSA-N 1 2 249.362 1.208 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1nc(C)c(C)s1 ZINC000429135735 201071447 /nfs/dbraw/zinc/07/14/47/201071447.db2.gz VBNNIWWSIWCLQK-UHFFFAOYSA-N 1 2 241.360 1.457 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1nc(C)c(C)s1 ZINC000429135735 201071449 /nfs/dbraw/zinc/07/14/49/201071449.db2.gz VBNNIWWSIWCLQK-UHFFFAOYSA-N 1 2 241.360 1.457 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428959173 201053350 /nfs/dbraw/zinc/05/33/50/201053350.db2.gz FSJGYVFOQHGIHX-VIFPVBQESA-N 1 2 226.324 1.395 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428959173 201053353 /nfs/dbraw/zinc/05/33/53/201053353.db2.gz FSJGYVFOQHGIHX-VIFPVBQESA-N 1 2 226.324 1.395 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)[nH]1 ZINC000428966528 201055501 /nfs/dbraw/zinc/05/55/01/201055501.db2.gz KNXZYQRWGYCHHU-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](CO)[C@H]2C)[nH]1 ZINC000428966528 201055503 /nfs/dbraw/zinc/05/55/03/201055503.db2.gz KNXZYQRWGYCHHU-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000614358391 363790236 /nfs/dbraw/zinc/79/02/36/363790236.db2.gz OQBJMCZQCCQPNH-IRCOFANPSA-N 1 2 245.326 1.438 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cc(F)ccc1F ZINC000429160761 201076982 /nfs/dbraw/zinc/07/69/82/201076982.db2.gz UNCNIDHMOAMQHP-UHFFFAOYSA-N 1 2 242.269 1.662 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cc(F)ccc1F ZINC000429160761 201076984 /nfs/dbraw/zinc/07/69/84/201076984.db2.gz UNCNIDHMOAMQHP-UHFFFAOYSA-N 1 2 242.269 1.662 20 0 BDADLO C[C@H](CC(=O)N1CCCCCO1)n1cc[nH+]c1 ZINC000579247838 366745788 /nfs/dbraw/zinc/74/57/88/366745788.db2.gz MYPZCABGDJFWEE-LLVKDONJSA-N 1 2 237.303 1.778 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579343080 366763363 /nfs/dbraw/zinc/76/33/63/366763363.db2.gz LJEVVNZCLOVTNJ-XPUUQOCRSA-N 1 2 245.373 1.011 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000309859868 491157563 /nfs/dbraw/zinc/15/75/63/491157563.db2.gz LYSSPYHZQNLAFQ-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1CC(C)(C)C1 ZINC000552415890 325633962 /nfs/dbraw/zinc/63/39/62/325633962.db2.gz TUEYWVYOQRZXOE-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1cncc(C[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000429316350 201097434 /nfs/dbraw/zinc/09/74/34/201097434.db2.gz LGKMFNWZYDIFEN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cncc(C[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000429316350 201097437 /nfs/dbraw/zinc/09/74/37/201097437.db2.gz LGKMFNWZYDIFEN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000429302425 201097654 /nfs/dbraw/zinc/09/76/54/201097654.db2.gz SNRYFOZWHFENSD-UHFFFAOYSA-N 1 2 247.302 1.010 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCc2n[nH]nc2C1 ZINC000429302425 201097657 /nfs/dbraw/zinc/09/76/57/201097657.db2.gz SNRYFOZWHFENSD-UHFFFAOYSA-N 1 2 247.302 1.010 20 0 BDADLO CC(C)CCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000429342186 201102055 /nfs/dbraw/zinc/10/20/55/201102055.db2.gz WXHWSSNAEUUEGL-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CC(C)CCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000429342186 201102058 /nfs/dbraw/zinc/10/20/58/201102058.db2.gz WXHWSSNAEUUEGL-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CC(C)CCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000429342186 201102060 /nfs/dbraw/zinc/10/20/60/201102060.db2.gz WXHWSSNAEUUEGL-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO CC(C)CCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000429342186 201102062 /nfs/dbraw/zinc/10/20/62/201102062.db2.gz WXHWSSNAEUUEGL-UHFFFAOYSA-N 1 2 224.308 1.236 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@H]2CCOC2)no1 ZINC000429678560 201124486 /nfs/dbraw/zinc/12/44/86/201124486.db2.gz ASVJRAMHRHDORW-WCBMZHEXSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@H]2CCOC2)no1 ZINC000429678560 201124487 /nfs/dbraw/zinc/12/44/87/201124487.db2.gz ASVJRAMHRHDORW-WCBMZHEXSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CC(C)(C)O)no1 ZINC000429678705 201126786 /nfs/dbraw/zinc/12/67/86/201126786.db2.gz CGGPRUGQDJFHPY-SSDOTTSWSA-N 1 2 213.281 1.142 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CC(C)(C)O)no1 ZINC000429678705 201126790 /nfs/dbraw/zinc/12/67/90/201126790.db2.gz CGGPRUGQDJFHPY-SSDOTTSWSA-N 1 2 213.281 1.142 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc(-c2ccco2)o1 ZINC000181486371 366813846 /nfs/dbraw/zinc/81/38/46/366813846.db2.gz RVPYPIPYFFGDDG-UHFFFAOYSA-N 1 2 245.242 1.675 20 0 BDADLO CO[C@H](C)C[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433308227 201180541 /nfs/dbraw/zinc/18/05/41/201180541.db2.gz XXGARUJVDFHKGB-PRHODGIISA-N 1 2 239.319 1.628 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614378203 363798360 /nfs/dbraw/zinc/79/83/60/363798360.db2.gz CEIFPOBAESQJOV-FXPVBKGRSA-N 1 2 233.315 1.429 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614378203 363798362 /nfs/dbraw/zinc/79/83/62/363798362.db2.gz CEIFPOBAESQJOV-FXPVBKGRSA-N 1 2 233.315 1.429 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000448546062 201198909 /nfs/dbraw/zinc/19/89/09/201198909.db2.gz TWDLKXWWTWXUIT-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000448546062 201198911 /nfs/dbraw/zinc/19/89/11/201198911.db2.gz TWDLKXWWTWXUIT-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCOCC1CC1 ZINC000434015756 201202661 /nfs/dbraw/zinc/20/26/61/201202661.db2.gz JXCFNDKHPYBHDM-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(C)COC2)[nH+]1 ZINC000433766605 201191615 /nfs/dbraw/zinc/19/16/15/201191615.db2.gz OOGOKMBKLGKWGJ-UHFFFAOYSA-N 1 2 232.287 1.137 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000433796382 201193023 /nfs/dbraw/zinc/19/30/23/201193023.db2.gz LUCZKPSENJWUNC-IUCAKERBSA-N 1 2 248.330 1.507 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cn1 ZINC000629664944 361596551 /nfs/dbraw/zinc/59/65/51/361596551.db2.gz LXDLXAFIPGGDJR-LLVKDONJSA-N 1 2 239.294 1.055 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cn1 ZINC000629664944 361596557 /nfs/dbraw/zinc/59/65/57/361596557.db2.gz LXDLXAFIPGGDJR-LLVKDONJSA-N 1 2 239.294 1.055 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncnn1C(C)C ZINC000434546698 201225413 /nfs/dbraw/zinc/22/54/13/201225413.db2.gz IXXBEPJJZZBNEJ-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncnn1C(C)C ZINC000434546698 201225415 /nfs/dbraw/zinc/22/54/15/201225415.db2.gz IXXBEPJJZZBNEJ-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO C[C@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000306640403 361589778 /nfs/dbraw/zinc/58/97/78/361589778.db2.gz PLSLYGQAQIRZCK-POYBYMJQSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000306640403 361589781 /nfs/dbraw/zinc/58/97/81/361589781.db2.gz PLSLYGQAQIRZCK-POYBYMJQSA-N 1 2 232.736 1.609 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)OC(C)C)cc[nH+]1 ZINC000448548279 201209490 /nfs/dbraw/zinc/20/94/90/201209490.db2.gz PJXKWJUCIHWZOT-UHFFFAOYSA-N 1 2 236.315 1.954 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1nc(C)no1 ZINC000448553136 201254145 /nfs/dbraw/zinc/25/41/45/201254145.db2.gz BFHNZSMLPLQCOI-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1nc(C)no1 ZINC000448553136 201254149 /nfs/dbraw/zinc/25/41/49/201254149.db2.gz BFHNZSMLPLQCOI-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@@H](NC(=O)c1[nH]ccc1C)c1[nH]cc[nH+]1 ZINC000436098315 201311023 /nfs/dbraw/zinc/31/10/23/201311023.db2.gz DUMCWWOZBIBZLJ-SECBINFHSA-N 1 2 232.287 1.927 20 0 BDADLO C[N@H+](Cc1nnc2n1CCOC2)[C@@H]1CC1(C)C ZINC000436105631 201309673 /nfs/dbraw/zinc/30/96/73/201309673.db2.gz SHJXICVGJNUNAN-SECBINFHSA-N 1 2 236.319 1.039 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCOC2)[C@@H]1CC1(C)C ZINC000436105631 201309676 /nfs/dbraw/zinc/30/96/76/201309676.db2.gz SHJXICVGJNUNAN-SECBINFHSA-N 1 2 236.319 1.039 20 0 BDADLO Nc1cc(CSc2nncn2C2CC2)cc[nH+]1 ZINC000195500610 361698777 /nfs/dbraw/zinc/69/87/77/361698777.db2.gz SYYTVAKGBIQSSG-UHFFFAOYSA-N 1 2 247.327 1.883 20 0 BDADLO c1c[nH+]c(CNc2cnn3c2CCCC3)[nH]1 ZINC000631231710 361722786 /nfs/dbraw/zinc/72/27/86/361722786.db2.gz SWLFAOYDFFQCBL-UHFFFAOYSA-N 1 2 217.276 1.555 20 0 BDADLO c1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000437620479 201361832 /nfs/dbraw/zinc/36/18/32/201361832.db2.gz ASIAOESZFIMNEH-UHFFFAOYSA-N 1 2 239.282 1.571 20 0 BDADLO COCC[N@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000437624436 201362190 /nfs/dbraw/zinc/36/21/90/201362190.db2.gz XUPRXTCSDTUEQJ-SNVBAGLBSA-N 1 2 237.290 1.627 20 0 BDADLO COCC[N@@H+](CC[C@@H]1CCOC1)CC(F)F ZINC000437624436 201362193 /nfs/dbraw/zinc/36/21/93/201362193.db2.gz XUPRXTCSDTUEQJ-SNVBAGLBSA-N 1 2 237.290 1.627 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)N2CCC2)n1 ZINC000437884277 201378077 /nfs/dbraw/zinc/37/80/77/201378077.db2.gz SURPVNYMDCZIHF-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)N2CCC2)n1 ZINC000437884277 201378078 /nfs/dbraw/zinc/37/80/78/201378078.db2.gz SURPVNYMDCZIHF-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000614431154 363816620 /nfs/dbraw/zinc/81/66/20/363816620.db2.gz BUSPXVDJKURURX-SNVBAGLBSA-N 1 2 249.314 1.040 20 0 BDADLO CC1(C)COCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000614432759 363818321 /nfs/dbraw/zinc/81/83/21/363818321.db2.gz WZPVMRXZYQFEOF-JTQLQIEISA-N 1 2 249.314 1.040 20 0 BDADLO CC(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000067743829 370698336 /nfs/dbraw/zinc/69/83/36/370698336.db2.gz CULDDNUTLSPEOE-UHFFFAOYSA-N 1 2 232.327 1.774 20 0 BDADLO CCN1CC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000328267813 363871624 /nfs/dbraw/zinc/87/16/24/363871624.db2.gz OTFYXBUMTYZDQJ-SECBINFHSA-N 1 2 211.334 1.327 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000614699869 363930276 /nfs/dbraw/zinc/93/02/76/363930276.db2.gz CIIAISFUUUGBPV-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CC2(CC2)C1 ZINC000614701582 363933090 /nfs/dbraw/zinc/93/30/90/363933090.db2.gz XTZXEUKDQDTZPY-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614801007 363979915 /nfs/dbraw/zinc/97/99/15/363979915.db2.gz ZXNYHOQDKHNRBZ-GWOFURMSSA-N 1 2 233.315 1.438 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)CF)C2 ZINC000614884391 364031606 /nfs/dbraw/zinc/03/16/06/364031606.db2.gz GFARUIGQDUBHSJ-APPZFPTMSA-N 1 2 239.294 1.297 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)CF)CC2 ZINC000614884391 364031609 /nfs/dbraw/zinc/03/16/09/364031609.db2.gz GFARUIGQDUBHSJ-APPZFPTMSA-N 1 2 239.294 1.297 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccno1)c1cccc(F)c1 ZINC000541983692 364057047 /nfs/dbraw/zinc/05/70/47/364057047.db2.gz QHNRZPFYIIVHJR-GFCCVEGCSA-N 1 2 236.246 1.637 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C)cn1 ZINC000614918358 364086789 /nfs/dbraw/zinc/08/67/89/364086789.db2.gz NQDOSOVISDCOHM-GFCCVEGCSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)cn1 ZINC000614918358 364086795 /nfs/dbraw/zinc/08/67/95/364086795.db2.gz NQDOSOVISDCOHM-GFCCVEGCSA-N 1 2 236.315 1.773 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCOC1 ZINC000622082416 370699088 /nfs/dbraw/zinc/69/90/88/370699088.db2.gz MROLZVOLVQVOFO-NXEZZACHSA-N 1 2 237.303 1.117 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ncoc1C ZINC000622082291 370699645 /nfs/dbraw/zinc/69/96/45/370699645.db2.gz KLVGZMAENPXIBK-MRVPVSSYSA-N 1 2 248.286 1.690 20 0 BDADLO CCn1ccnc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622106921 370713132 /nfs/dbraw/zinc/71/31/32/370713132.db2.gz ZSKHXFMHXVAUHI-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CCn1ccnc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000622106921 370713135 /nfs/dbraw/zinc/71/31/35/370713135.db2.gz ZSKHXFMHXVAUHI-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CC[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H](C)O ZINC000622181715 370751083 /nfs/dbraw/zinc/75/10/83/370751083.db2.gz GCHWDMFVUSPHIO-GUBZILKMSA-N 1 2 239.319 1.004 20 0 BDADLO CC[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)[C@@H](C)O ZINC000622181713 370751290 /nfs/dbraw/zinc/75/12/90/370751290.db2.gz GCHWDMFVUSPHIO-AEJSXWLSSA-N 1 2 239.319 1.004 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1CC1(F)F ZINC000622196046 370757294 /nfs/dbraw/zinc/75/72/94/370757294.db2.gz AQHQRKYFPOBVHK-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1CC1(F)F ZINC000622196046 370757298 /nfs/dbraw/zinc/75/72/98/370757298.db2.gz AQHQRKYFPOBVHK-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO CCOc1ccccc1C[NH2+]Cc1ncnn1C ZINC000080532172 370778147 /nfs/dbraw/zinc/77/81/47/370778147.db2.gz PBLDJBWTVNOSQD-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000356278734 366846994 /nfs/dbraw/zinc/84/69/94/366846994.db2.gz JKBXQIDIIYVOII-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CCC1 ZINC000615158752 364552630 /nfs/dbraw/zinc/55/26/30/364552630.db2.gz UODMPNZCHZYBAC-PSASIEDQSA-N 1 2 237.303 1.402 20 0 BDADLO CCC[C@](C)(O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615162277 364556290 /nfs/dbraw/zinc/55/62/90/364556290.db2.gz PTVFQSPZOWEMGY-KCJUWKMLSA-N 1 2 225.292 1.138 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1CC2(CC2)C1 ZINC000615234275 364649791 /nfs/dbraw/zinc/64/97/91/364649791.db2.gz WZKXUKLUNBWXAA-UHFFFAOYSA-N 1 2 246.310 1.897 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC1(C)C ZINC000573384863 364819624 /nfs/dbraw/zinc/81/96/24/364819624.db2.gz ICQIOMWZGJVDPX-ONGXEEELSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC1(C)C ZINC000573384863 364819628 /nfs/dbraw/zinc/81/96/28/364819628.db2.gz ICQIOMWZGJVDPX-ONGXEEELSA-N 1 2 235.331 1.845 20 0 BDADLO CCn1ccnc1C[NH+]1CC(CC(F)F)C1 ZINC000573598863 364871179 /nfs/dbraw/zinc/87/11/79/364871179.db2.gz LYRHQZILOWELEE-UHFFFAOYSA-N 1 2 229.274 1.990 20 0 BDADLO CCn1cc[nH+]c1CN1CC(CC(F)F)C1 ZINC000573598863 364871185 /nfs/dbraw/zinc/87/11/85/364871185.db2.gz LYRHQZILOWELEE-UHFFFAOYSA-N 1 2 229.274 1.990 20 0 BDADLO CCn1nnc(C)c1CNc1ccc[nH+]c1C ZINC000573653505 364883736 /nfs/dbraw/zinc/88/37/36/364883736.db2.gz UUTKEJVBQMPHJY-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)O ZINC000573733416 364905214 /nfs/dbraw/zinc/90/52/14/364905214.db2.gz IDMRKUFYODSXCV-DCAQKATOSA-N 1 2 239.319 1.110 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1Cc2ccccc2C1 ZINC000334526376 541414963 /nfs/dbraw/zinc/41/49/63/541414963.db2.gz HWSZVZAOHBDRBW-UHFFFAOYSA-N 1 2 241.294 1.885 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1Cc2ccccc2C1 ZINC000334526376 541414966 /nfs/dbraw/zinc/41/49/66/541414966.db2.gz HWSZVZAOHBDRBW-UHFFFAOYSA-N 1 2 241.294 1.885 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000573948858 364953429 /nfs/dbraw/zinc/95/34/29/364953429.db2.gz XUPVNSDFMNYVKW-CMPLNLGQSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1ccc(F)c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000336014630 541424690 /nfs/dbraw/zinc/42/46/90/541424690.db2.gz CGIFKHNYFIOSML-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO CC[N@H+](Cc1cc(C(C)=O)no1)[C@@H]1CCOC1 ZINC000573979517 364960504 /nfs/dbraw/zinc/96/05/04/364960504.db2.gz MNNSFIVWSPZZNR-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO CC[N@@H+](Cc1cc(C(C)=O)no1)[C@@H]1CCOC1 ZINC000573979517 364960509 /nfs/dbraw/zinc/96/05/09/364960509.db2.gz MNNSFIVWSPZZNR-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000573989974 364963548 /nfs/dbraw/zinc/96/35/48/364963548.db2.gz PBQBTJYQRCFPAD-WPRPVWTQSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000573989974 364963552 /nfs/dbraw/zinc/96/35/52/364963552.db2.gz PBQBTJYQRCFPAD-WPRPVWTQSA-N 1 2 207.277 1.257 20 0 BDADLO Cc1cc(C)c(CNC(=O)NCCCF)c[nH+]1 ZINC000574014045 364966183 /nfs/dbraw/zinc/96/61/83/364966183.db2.gz XIJRYOXGBZPASU-UHFFFAOYSA-N 1 2 239.294 1.857 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000574044501 364975739 /nfs/dbraw/zinc/97/57/39/364975739.db2.gz FJALXRJXLGAUIP-WCFLWFBJSA-N 1 2 247.342 1.824 20 0 BDADLO COCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000574336757 365039986 /nfs/dbraw/zinc/03/99/86/365039986.db2.gz JEECROZMDHRINJ-UHFFFAOYSA-N 1 2 233.271 1.019 20 0 BDADLO Cc1cc(C)n(CC[N@@H+]2Cc3cccnc3C2)n1 ZINC000574448255 365063663 /nfs/dbraw/zinc/06/36/63/365063663.db2.gz UTEXKBGUUGCBPO-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C)n(CC[N@H+]2Cc3cccnc3C2)n1 ZINC000574448255 365063666 /nfs/dbraw/zinc/06/36/66/365063666.db2.gz UTEXKBGUUGCBPO-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO C[C@H](CC(=O)NCC1=CCOCC1)n1cc[nH+]c1 ZINC000574455956 365066239 /nfs/dbraw/zinc/06/62/39/365066239.db2.gz GQAJUJYBKLBTOY-LLVKDONJSA-N 1 2 249.314 1.297 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCCC2 ZINC000574475975 365073218 /nfs/dbraw/zinc/07/32/18/365073218.db2.gz WNKNEZJHSUNZIR-UHFFFAOYSA-N 1 2 233.315 1.365 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CO[C@@H](C)C2)c(C)c[nH+]1 ZINC000574689871 365121553 /nfs/dbraw/zinc/12/15/53/365121553.db2.gz XGBDPGOCXUPISR-WDEREUQCSA-N 1 2 249.314 1.419 20 0 BDADLO CC[C@]1(C)C[N@@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000442887397 193000674 /nfs/dbraw/zinc/00/06/74/193000674.db2.gz WISYJDDTLJQAOL-DGCLKSJQSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@]1(C)C[N@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000442887397 193000677 /nfs/dbraw/zinc/00/06/77/193000677.db2.gz WISYJDDTLJQAOL-DGCLKSJQSA-N 1 2 241.331 1.439 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@H]2CO)[nH+]1 ZINC000443525514 193023104 /nfs/dbraw/zinc/02/31/04/193023104.db2.gz YUDPEDRXGXEVHN-GZMMTYOYSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1sccc1C(=O)NCCc1c[nH+]cn1C ZINC000575131891 365215428 /nfs/dbraw/zinc/21/54/28/365215428.db2.gz BBXNRCSEBYSTBW-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc(O)c1F ZINC000575204994 365242456 /nfs/dbraw/zinc/24/24/56/365242456.db2.gz YCHFNYZTAVIPAC-UHFFFAOYSA-N 1 2 235.218 1.367 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[C@@H]3C)cn21 ZINC000068571556 370813151 /nfs/dbraw/zinc/81/31/51/370813151.db2.gz DURFVCPSUYSXCK-CABZTGNLSA-N 1 2 243.310 1.915 20 0 BDADLO Cc1cnc(NC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000575185395 365232581 /nfs/dbraw/zinc/23/25/81/365232581.db2.gz YUSHTCLWYDVVSN-MRVPVSSYSA-N 1 2 234.259 1.769 20 0 BDADLO Cc1cc(NC(=O)NCC[C@@H](C)F)c(C)c[nH+]1 ZINC000575328281 365292047 /nfs/dbraw/zinc/29/20/47/365292047.db2.gz KLHCYENQHVEXKN-SECBINFHSA-N 1 2 239.294 1.990 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC2CCC1CC2 ZINC000575348570 365296354 /nfs/dbraw/zinc/29/63/54/365296354.db2.gz JFTNBMJNONEKQL-XIVSLSHWSA-N 1 2 247.342 1.658 20 0 BDADLO CO[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000575429015 365319023 /nfs/dbraw/zinc/31/90/23/365319023.db2.gz GYANBFHBFHTFDB-APPZFPTMSA-N 1 2 223.276 1.012 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000182228053 366877539 /nfs/dbraw/zinc/87/75/39/366877539.db2.gz IVNJOMSTVYYEBH-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H](CC(=O)Nc1ccncc1F)n1cc[nH+]c1 ZINC000575872387 365398615 /nfs/dbraw/zinc/39/86/15/365398615.db2.gz ONHLCIBGQYYTNR-VIFPVBQESA-N 1 2 248.261 1.429 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)C(C)(C)C)c[nH+]1 ZINC000575809531 365370810 /nfs/dbraw/zinc/37/08/10/365370810.db2.gz LTOUVGVBPQWSHF-SSDOTTSWSA-N 1 2 209.293 1.883 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000336893899 365381068 /nfs/dbraw/zinc/38/10/68/365381068.db2.gz LFDJKLXOZZNMRC-BDAKNGLRSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@H](CC(=O)N[C@@]1(C)CCOC1)n1cc[nH+]c1 ZINC000575991742 365439292 /nfs/dbraw/zinc/43/92/92/365439292.db2.gz BEYQPAKYDZBTLQ-PWSUYJOCSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1CCCO1)n1cc[nH+]c1 ZINC000579598126 366899930 /nfs/dbraw/zinc/89/99/30/366899930.db2.gz ROXJLUYNFCZNNE-GHMZBOCLSA-N 1 2 237.303 1.129 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000579875024 367059277 /nfs/dbraw/zinc/05/92/77/367059277.db2.gz MGTLUNMROQGESK-ZETCQYMHSA-N 1 2 243.257 1.601 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000579875024 367059281 /nfs/dbraw/zinc/05/92/81/367059281.db2.gz MGTLUNMROQGESK-ZETCQYMHSA-N 1 2 243.257 1.601 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)on1 ZINC000579974986 367112770 /nfs/dbraw/zinc/11/27/70/367112770.db2.gz DURHVLZJZSWNQY-SCZZXKLOSA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@H](C)C[C@H](O)C2)on1 ZINC000579974986 367112776 /nfs/dbraw/zinc/11/27/76/367112776.db2.gz DURHVLZJZSWNQY-SCZZXKLOSA-N 1 2 238.287 1.080 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000580025963 367137457 /nfs/dbraw/zinc/13/74/57/367137457.db2.gz FQRAXQSTPZAIAP-HBNTYKKESA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CC2 ZINC000622309067 370837206 /nfs/dbraw/zinc/83/72/06/370837206.db2.gz BPGWIERPCFBENN-ZJUUUORDSA-N 1 2 219.288 1.188 20 0 BDADLO CC[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000581165333 367279567 /nfs/dbraw/zinc/27/95/67/367279567.db2.gz HFUMQJMOTBWNKM-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO c1cn(C[C@H]2CCCN2c2cccnn2)c[nH+]1 ZINC000581003548 367229642 /nfs/dbraw/zinc/22/96/42/367229642.db2.gz SJILUEMPEFKHRK-LLVKDONJSA-N 1 2 229.287 1.342 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CCCCO1)c1[nH]cc[nH+]1 ZINC000581021949 367240041 /nfs/dbraw/zinc/24/00/41/367240041.db2.gz GFGZRPDHJBXORQ-SKDRFNHKSA-N 1 2 237.303 1.546 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1cccc(CO)c1 ZINC000581023098 367241577 /nfs/dbraw/zinc/24/15/77/367241577.db2.gz QWFBAYUSEQHFNZ-NSHDSACASA-N 1 2 243.310 1.820 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccccc1OC ZINC000194993394 367329960 /nfs/dbraw/zinc/32/99/60/367329960.db2.gz FDFOJLYZJBKSBF-UHFFFAOYSA-N 1 2 222.288 1.002 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccccc1OC ZINC000194993394 367329964 /nfs/dbraw/zinc/32/99/64/367329964.db2.gz FDFOJLYZJBKSBF-UHFFFAOYSA-N 1 2 222.288 1.002 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C)o1 ZINC000194559875 367304812 /nfs/dbraw/zinc/30/48/12/367304812.db2.gz GJSPYSKFPLRXGE-NSHDSACASA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)o1 ZINC000194559875 367304815 /nfs/dbraw/zinc/30/48/15/367304815.db2.gz GJSPYSKFPLRXGE-NSHDSACASA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C)o1 ZINC000194559884 367305138 /nfs/dbraw/zinc/30/51/38/367305138.db2.gz GJSPYSKFPLRXGE-LLVKDONJSA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)o1 ZINC000194559884 367305139 /nfs/dbraw/zinc/30/51/39/367305139.db2.gz GJSPYSKFPLRXGE-LLVKDONJSA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccn(C)n1 ZINC000381312099 367379810 /nfs/dbraw/zinc/37/98/10/367379810.db2.gz ALHKZPHUTKANII-SNVBAGLBSA-N 1 2 219.292 1.384 20 0 BDADLO COc1c(CNc2c[nH]c[nH+]2)c(C)nn1C ZINC000381416506 367398371 /nfs/dbraw/zinc/39/83/71/367398371.db2.gz WHDSTZSVXMZMDD-UHFFFAOYSA-N 1 2 221.264 1.072 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)nc1 ZINC000581386558 367419405 /nfs/dbraw/zinc/41/94/05/367419405.db2.gz BHHYUTQYTBLVRX-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO CC(C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000581403465 367431955 /nfs/dbraw/zinc/43/19/55/367431955.db2.gz SZMYZBLZGOLKID-GFCCVEGCSA-N 1 2 235.331 1.920 20 0 BDADLO CCc1nc(C[NH2+][C@@H](COC)C(C)C)no1 ZINC000381646423 367443208 /nfs/dbraw/zinc/44/32/08/367443208.db2.gz BSQUIVCIXVXQAR-VIFPVBQESA-N 1 2 227.308 1.393 20 0 BDADLO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccn[nH]1 ZINC000383017415 367585675 /nfs/dbraw/zinc/58/56/75/367585675.db2.gz OOPSBMLKNSZJSL-LBPRGKRZSA-N 1 2 233.319 1.421 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000581558736 367589824 /nfs/dbraw/zinc/58/98/24/367589824.db2.gz ZBOZBZZGLJUNTE-OPRDCNLKSA-N 1 2 249.314 1.592 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000581558734 367589886 /nfs/dbraw/zinc/58/98/86/367589886.db2.gz ZBOZBZZGLJUNTE-BBBLOLIVSA-N 1 2 249.314 1.592 20 0 BDADLO Cc1c(C[NH+](C)Cc2cnn(C)c2C)cnn1C ZINC000581647206 367650121 /nfs/dbraw/zinc/65/01/21/367650121.db2.gz MVAXHOHMJSPQIB-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC(C)(C)C ZINC000384762939 367728499 /nfs/dbraw/zinc/72/84/99/367728499.db2.gz OGVZNVBIFHGYHY-YTWAJWBKSA-N 1 2 243.347 1.872 20 0 BDADLO CCCN(C(=O)[C@@H]1COCC[N@@H+]1CC)C1CC1 ZINC000622355221 370864816 /nfs/dbraw/zinc/86/48/16/370864816.db2.gz UILXRHPITFIVKO-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CCCN(C(=O)[C@@H]1COCC[N@H+]1CC)C1CC1 ZINC000622355221 370864817 /nfs/dbraw/zinc/86/48/17/370864817.db2.gz UILXRHPITFIVKO-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1ccncc1N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000581735266 367799911 /nfs/dbraw/zinc/79/99/11/367799911.db2.gz LGOGTKZZXVZSLU-UHFFFAOYSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000385681332 367855141 /nfs/dbraw/zinc/85/51/41/367855141.db2.gz OANIEROTJWPROT-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](CO)[C@H]2C)no1 ZINC000385681332 367855143 /nfs/dbraw/zinc/85/51/43/367855143.db2.gz OANIEROTJWPROT-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO Cc1cc(NC(=O)NCC(C)(F)F)cc[nH+]1 ZINC000581867227 367857364 /nfs/dbraw/zinc/85/73/64/367857364.db2.gz GXYKMUUZJALMIB-UHFFFAOYSA-N 1 2 229.230 1.589 20 0 BDADLO CC[C@@H](C[NH2+][C@@H](C(=O)OC)C(C)C)OC ZINC000386099809 367912767 /nfs/dbraw/zinc/91/27/67/367912767.db2.gz JNWNWEUHZAEAHE-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO CC(C)(CF)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581891191 367881067 /nfs/dbraw/zinc/88/10/67/367881067.db2.gz LHMFEJWBWCFRKD-VIFPVBQESA-N 1 2 239.294 1.310 20 0 BDADLO Cc1cc(NC(=O)NC2(CCO)CC2)c(C)c[nH+]1 ZINC000581986064 368049528 /nfs/dbraw/zinc/04/95/28/368049528.db2.gz BYSCYMPGAPUIIL-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)[C@H](C)O ZINC000386685157 368009680 /nfs/dbraw/zinc/00/96/80/368009680.db2.gz JBZROPZXCBSEEH-WDEREUQCSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@H](C)O ZINC000386721634 368013521 /nfs/dbraw/zinc/01/35/21/368013521.db2.gz SEBLTJHAIYIIAI-NTSWFWBYSA-N 1 2 230.699 1.284 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc(N)c1Cl)[C@H](C)O ZINC000386721634 368013526 /nfs/dbraw/zinc/01/35/26/368013526.db2.gz SEBLTJHAIYIIAI-NTSWFWBYSA-N 1 2 230.699 1.284 20 0 BDADLO OCc1ccc(C[N@@H+]2CCC[C@H](F)C2)o1 ZINC000566353974 326036296 /nfs/dbraw/zinc/03/62/96/326036296.db2.gz NQKMGVDPHFWMRL-VIFPVBQESA-N 1 2 213.252 1.706 20 0 BDADLO OCc1ccc(C[N@H+]2CCC[C@H](F)C2)o1 ZINC000566353974 326036298 /nfs/dbraw/zinc/03/62/98/326036298.db2.gz NQKMGVDPHFWMRL-VIFPVBQESA-N 1 2 213.252 1.706 20 0 BDADLO CN(C)c1cncc(NCc2c[nH+]cn2C)c1 ZINC000630957275 368155283 /nfs/dbraw/zinc/15/52/83/368155283.db2.gz PMWLRXHTZFDAMD-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000029259131 368242482 /nfs/dbraw/zinc/24/24/82/368242482.db2.gz VNPONYSUTKCHRK-SNVBAGLBSA-N 1 2 234.299 1.006 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000029259131 368242484 /nfs/dbraw/zinc/24/24/84/368242484.db2.gz VNPONYSUTKCHRK-SNVBAGLBSA-N 1 2 234.299 1.006 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000029259134 368242569 /nfs/dbraw/zinc/24/25/69/368242569.db2.gz VNPONYSUTKCHRK-JTQLQIEISA-N 1 2 234.299 1.006 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000029259134 368242572 /nfs/dbraw/zinc/24/25/72/368242572.db2.gz VNPONYSUTKCHRK-JTQLQIEISA-N 1 2 234.299 1.006 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1occc1C ZINC000615710740 368218863 /nfs/dbraw/zinc/21/88/63/368218863.db2.gz RXGULNZBOBCWBF-UHFFFAOYSA-N 1 2 247.298 1.663 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CCOC3)[nH+]c12 ZINC000615758858 368270429 /nfs/dbraw/zinc/27/04/29/368270429.db2.gz JRYOCDWQJOLWDJ-UHFFFAOYSA-N 1 2 245.282 1.002 20 0 BDADLO COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000038976510 368327970 /nfs/dbraw/zinc/32/79/70/368327970.db2.gz ONHUFBOARDFPLN-UHFFFAOYSA-N 1 2 230.267 1.647 20 0 BDADLO CN(C)c1ccc(CNC(=O)N2CCC2)c[nH+]1 ZINC000046286903 368442530 /nfs/dbraw/zinc/44/25/30/368442530.db2.gz NBODTPZULJHNSV-UHFFFAOYSA-N 1 2 234.303 1.063 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615832578 368487221 /nfs/dbraw/zinc/48/72/21/368487221.db2.gz QLRVVGYMOHIJJX-WRWGMCAJSA-N 1 2 247.342 1.686 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCC1 ZINC000567059661 326108796 /nfs/dbraw/zinc/10/87/96/326108796.db2.gz CZRRVNXNZXZLSF-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCC1 ZINC000567059661 326108797 /nfs/dbraw/zinc/10/87/97/326108797.db2.gz CZRRVNXNZXZLSF-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO CCc1nc(C[N@H+](C)CCCOC)no1 ZINC000066961610 368672226 /nfs/dbraw/zinc/67/22/26/368672226.db2.gz JYCXCTIDYKCWSX-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCc1nc(C[N@@H+](C)CCCOC)no1 ZINC000066961610 368672232 /nfs/dbraw/zinc/67/22/32/368672232.db2.gz JYCXCTIDYKCWSX-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCC(CC)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000457397554 203055442 /nfs/dbraw/zinc/05/54/42/203055442.db2.gz HNIPBQMYRYWCBY-UHFFFAOYSA-N 1 2 238.335 1.450 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(N)=O)c1ccc(F)cc1 ZINC000074017624 368825496 /nfs/dbraw/zinc/82/54/96/368825496.db2.gz HMRQCOYQWIZTLX-JTQLQIEISA-N 1 2 248.261 1.317 20 0 BDADLO c1cn(CCc2nc(-c3ccccn3)no2)c[nH+]1 ZINC000074120774 368830923 /nfs/dbraw/zinc/83/09/23/368830923.db2.gz QNWJAZOPMCXOPV-UHFFFAOYSA-N 1 2 241.254 1.571 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000074353065 368840880 /nfs/dbraw/zinc/84/08/80/368840880.db2.gz LPTJIBZFTNCFOS-UWVGGRQHSA-N 1 2 207.277 1.188 20 0 BDADLO CCn1c[nH+]cc1CNc1cnn(CCF)c1 ZINC000623660600 369065828 /nfs/dbraw/zinc/06/58/28/369065828.db2.gz SZOTUXOEDQCYJQ-UHFFFAOYSA-N 1 2 237.282 1.681 20 0 BDADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)C(C)(C)C ZINC000457859806 203113273 /nfs/dbraw/zinc/11/32/73/203113273.db2.gz OLXZRLXGBRSJIW-SNVBAGLBSA-N 1 2 237.347 1.761 20 0 BDADLO C[C@H]1CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457857447 203113820 /nfs/dbraw/zinc/11/38/20/203113820.db2.gz MGFBKNAVRJYUGW-JQWIXIFHSA-N 1 2 235.331 1.515 20 0 BDADLO CC[C@@H](C)CCC(=O)NCCc1cn(C)c[nH+]1 ZINC000457877647 203117606 /nfs/dbraw/zinc/11/76/06/203117606.db2.gz VTKQLVYGDRAFOG-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CCCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000457891263 203117900 /nfs/dbraw/zinc/11/79/00/203117900.db2.gz WMKDKOFDULPFRY-UHFFFAOYSA-N 1 2 223.320 1.659 20 0 BDADLO Cc1cccn2c(NC(=O)[C@@H](O)C(C)C)c[nH+]c12 ZINC000619015243 369258628 /nfs/dbraw/zinc/25/86/28/369258628.db2.gz AYKQDEYDCQIQCC-NSHDSACASA-N 1 2 247.298 1.598 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnc(C3CC3)nc2)C[C@@H](C)O1 ZINC000459284645 203247893 /nfs/dbraw/zinc/24/78/93/203247893.db2.gz TXKUXLOHDHUOBG-GHMZBOCLSA-N 1 2 247.342 1.963 20 0 BDADLO COCc1cc(C[N@@H+]2CCSC[C@H]2C)no1 ZINC000459349934 203263193 /nfs/dbraw/zinc/26/31/93/203263193.db2.gz NZEOUBXEYZGWLX-SECBINFHSA-N 1 2 242.344 1.758 20 0 BDADLO COCc1cc(C[N@H+]2CCSC[C@H]2C)no1 ZINC000459349934 203263196 /nfs/dbraw/zinc/26/31/96/203263196.db2.gz NZEOUBXEYZGWLX-SECBINFHSA-N 1 2 242.344 1.758 20 0 BDADLO CCC(F)(F)CNCc1[nH+]ccn1C ZINC000623679953 369381982 /nfs/dbraw/zinc/38/19/82/369381982.db2.gz QRDIJVZUWLWGEE-UHFFFAOYSA-N 1 2 203.236 1.555 20 0 BDADLO CCCC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459599804 203312400 /nfs/dbraw/zinc/31/24/00/203312400.db2.gz YFNFNLXDNSYHSN-NSHDSACASA-N 1 2 217.309 1.344 20 0 BDADLO COC(=O)c1ccc(C[NH2+]C(C)(C)C(F)F)[nH]1 ZINC000619432057 369350667 /nfs/dbraw/zinc/35/06/67/369350667.db2.gz KBGGWHRCMMCANO-UHFFFAOYSA-N 1 2 246.257 1.935 20 0 BDADLO COc1ccc(C)cc1C[NH+]1CC(NC(C)=O)C1 ZINC000459554164 203299041 /nfs/dbraw/zinc/29/90/41/203299041.db2.gz JSNTWJUWSFPNHA-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[NH+]2CC(OC)C2)cc1C ZINC000459573831 203303944 /nfs/dbraw/zinc/30/39/44/203303944.db2.gz CLCKMXCQSFODQC-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO CCOC1(C)C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000459615662 203315663 /nfs/dbraw/zinc/31/56/63/203315663.db2.gz FUVIIIHYZYMRHW-UHFFFAOYSA-N 1 2 248.326 1.396 20 0 BDADLO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000459611535 203317290 /nfs/dbraw/zinc/31/72/90/203317290.db2.gz LMVZDGOSHIPTHU-KWQFWETISA-N 1 2 224.308 1.569 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccnn2C)C1 ZINC000459619122 203318307 /nfs/dbraw/zinc/31/83/07/203318307.db2.gz KEQNARJTGZEPLB-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC1(C)C[NH+](Cc2nc(C)cs2)C1 ZINC000459622307 203318579 /nfs/dbraw/zinc/31/85/79/203318579.db2.gz MNPZBIZXTZHAIV-UHFFFAOYSA-N 1 2 226.345 1.920 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000403845976 369413103 /nfs/dbraw/zinc/41/31/03/369413103.db2.gz FBXFJYCYRCQZNY-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000403845976 369413107 /nfs/dbraw/zinc/41/31/07/369413107.db2.gz FBXFJYCYRCQZNY-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO FC(F)OC1C[NH+](CC2=CCCOC2)C1 ZINC000459626238 203322544 /nfs/dbraw/zinc/32/25/44/203322544.db2.gz JESOOURFYNJMLN-UHFFFAOYSA-N 1 2 219.231 1.257 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404533808 369431752 /nfs/dbraw/zinc/43/17/52/369431752.db2.gz YMCGDLGYIOGOEQ-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404533808 369431756 /nfs/dbraw/zinc/43/17/56/369431756.db2.gz YMCGDLGYIOGOEQ-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@H]1CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000619655299 369509186 /nfs/dbraw/zinc/50/91/86/369509186.db2.gz ZDDHBKVNENJHNU-JTQLQIEISA-N 1 2 222.292 1.077 20 0 BDADLO CC[C@@H](CO)Nc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631031912 370968229 /nfs/dbraw/zinc/96/82/29/370968229.db2.gz NKXJWVUWBOLQIA-VIFPVBQESA-N 1 2 248.330 1.686 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459796173 203374075 /nfs/dbraw/zinc/37/40/75/203374075.db2.gz PFOUOCOPTSJKBH-IUCAKERBSA-N 1 2 229.345 1.518 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459796173 203374079 /nfs/dbraw/zinc/37/40/79/203374079.db2.gz PFOUOCOPTSJKBH-IUCAKERBSA-N 1 2 229.345 1.518 20 0 BDADLO CC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)CCO1 ZINC000069862398 370991222 /nfs/dbraw/zinc/99/12/22/370991222.db2.gz YRSCCEHSRDOGSZ-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO CCCCc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000631037631 370992239 /nfs/dbraw/zinc/99/22/39/370992239.db2.gz IAZDZDXJBCGWSM-UHFFFAOYSA-N 1 2 245.330 1.550 20 0 BDADLO CC(C)C(=O)NCC[N@H+](C)Cc1nccs1 ZINC000157693160 326290897 /nfs/dbraw/zinc/29/08/97/326290897.db2.gz ALXRTEVAHJNWPE-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO CC(C)C(=O)NCC[N@@H+](C)Cc1nccs1 ZINC000157693160 326290900 /nfs/dbraw/zinc/29/09/00/326290900.db2.gz ALXRTEVAHJNWPE-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CCCC1 ZINC000619997551 369653407 /nfs/dbraw/zinc/65/34/07/369653407.db2.gz MOTOEUHRKWIZQI-JTQLQIEISA-N 1 2 233.315 1.815 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CCCC1 ZINC000619997551 369653411 /nfs/dbraw/zinc/65/34/11/369653411.db2.gz MOTOEUHRKWIZQI-JTQLQIEISA-N 1 2 233.315 1.815 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000620007646 369663521 /nfs/dbraw/zinc/66/35/21/369663521.db2.gz BKBCPEZQEOIODK-GFCCVEGCSA-N 1 2 245.326 1.672 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC1(C)C ZINC000620086416 369727023 /nfs/dbraw/zinc/72/70/23/369727023.db2.gz ARNUPYHDOXCUAP-NOZJJQNGSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC1(C)C ZINC000620086416 369727025 /nfs/dbraw/zinc/72/70/25/369727025.db2.gz ARNUPYHDOXCUAP-NOZJJQNGSA-N 1 2 235.331 1.893 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000061757256 369844202 /nfs/dbraw/zinc/84/42/02/369844202.db2.gz XSDRNDQQYVNNFK-LLVKDONJSA-N 1 2 237.351 1.705 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCC[C@@H](C)C1 ZINC000061757256 369844206 /nfs/dbraw/zinc/84/42/06/369844206.db2.gz XSDRNDQQYVNNFK-LLVKDONJSA-N 1 2 237.351 1.705 20 0 BDADLO C[C@H](NC(=O)c1ccncc1F)c1[nH+]ccn1C ZINC000620600848 369950260 /nfs/dbraw/zinc/95/02/60/369950260.db2.gz QVDSGAYCDNJJSO-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@H](NC(=O)[C@H](C)C(F)(F)F)c1[nH+]ccn1C ZINC000620600491 369950465 /nfs/dbraw/zinc/95/04/65/369950465.db2.gz OEHKTTZGHAAOKE-BQBZGAKWSA-N 1 2 249.236 1.796 20 0 BDADLO C[C@H](NC(=O)CCC(C)(C)O)c1[nH+]ccn1C ZINC000620604063 369951580 /nfs/dbraw/zinc/95/15/80/369951580.db2.gz NSJJIZPXNDENMK-VIFPVBQESA-N 1 2 239.319 1.148 20 0 BDADLO COCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000620603601 369951621 /nfs/dbraw/zinc/95/16/21/369951621.db2.gz JJFISXLRVCYVNC-SECBINFHSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CCCO1)c1[nH+]ccn1C ZINC000620603238 369951844 /nfs/dbraw/zinc/95/18/44/369951844.db2.gz IVDYWZMZHGVYQK-BXKDBHETSA-N 1 2 237.303 1.166 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CCOC1)c1[nH+]ccn1C ZINC000620603376 369951929 /nfs/dbraw/zinc/95/19/29/369951929.db2.gz HDRGLALGIIBVSI-BXKDBHETSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H](NC(=O)c1cncc(O)c1)c1[nH+]ccn1C ZINC000620605370 369953528 /nfs/dbraw/zinc/95/35/28/369953528.db2.gz BOZMVCYSSZBAQB-MRVPVSSYSA-N 1 2 246.270 1.012 20 0 BDADLO CC[C@@](C)(OC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605548 369954520 /nfs/dbraw/zinc/95/45/20/369954520.db2.gz GMMKEQRPJFDVIN-JOYOIKCWSA-N 1 2 239.319 1.412 20 0 BDADLO CCc1nocc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620609587 369956728 /nfs/dbraw/zinc/95/67/28/369956728.db2.gz BSNJNLWPZBNDFY-QMMMGPOBSA-N 1 2 248.286 1.462 20 0 BDADLO C[C@H](NC(=O)[C@@]12C[C@@H]1CCC2)c1[nH+]ccn1C ZINC000620611318 369958084 /nfs/dbraw/zinc/95/80/84/369958084.db2.gz KOGOVXVYJABTGM-KWBADKCTSA-N 1 2 233.315 1.788 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@H](O)C(C)C)cc2[nH+]1 ZINC000620650684 369972081 /nfs/dbraw/zinc/97/20/81/369972081.db2.gz CAAOKAQEZHUKCN-GFCCVEGCSA-N 1 2 247.298 1.598 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)o1 ZINC000620593058 369946750 /nfs/dbraw/zinc/94/67/50/369946750.db2.gz VUKVAZRIQHBEBR-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597255 369948140 /nfs/dbraw/zinc/94/81/40/369948140.db2.gz YNUKJYPVLWPVNR-DTWKUNHWSA-N 1 2 225.292 1.022 20 0 BDADLO Cc1cn(C)nc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000620925912 370060807 /nfs/dbraw/zinc/06/08/07/370060807.db2.gz QCCPHPNUSKXSGC-UHFFFAOYSA-N 1 2 236.319 1.009 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC(CC2CC2)C1 ZINC000621244950 370179133 /nfs/dbraw/zinc/17/91/33/370179133.db2.gz HWRSTXMILYDUHX-UHFFFAOYSA-N 1 2 248.330 1.325 20 0 BDADLO CC12CC(C1)CN2C(=O)CCc1c[nH+]c[nH]1 ZINC000621216401 370162314 /nfs/dbraw/zinc/16/23/14/370162314.db2.gz LMBATHRKAOKZCZ-UHFFFAOYSA-N 1 2 219.288 1.353 20 0 BDADLO CC12CC(C1)CN2C(=O)CCc1c[nH]c[nH+]1 ZINC000621216401 370162318 /nfs/dbraw/zinc/16/23/18/370162318.db2.gz LMBATHRKAOKZCZ-UHFFFAOYSA-N 1 2 219.288 1.353 20 0 BDADLO COC(=O)c1occc1CNc1c[nH]c[nH+]1 ZINC000309647794 370239652 /nfs/dbraw/zinc/23/96/52/370239652.db2.gz MUNOEPSJMWYVMV-UHFFFAOYSA-N 1 2 221.216 1.401 20 0 BDADLO Cc1ccnc([C@@H](C)Nc2cc[nH+]c(C)n2)n1 ZINC000621329668 370261863 /nfs/dbraw/zinc/26/18/63/370261863.db2.gz KTDCKRGTKTWHNN-SECBINFHSA-N 1 2 229.287 1.478 20 0 BDADLO C[C@H]1CSC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000309827273 370264598 /nfs/dbraw/zinc/26/45/98/370264598.db2.gz XPFMBFIZOLIEGV-IONNQARKSA-N 1 2 239.344 1.788 20 0 BDADLO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]CCF)C1 ZINC000621355433 370291987 /nfs/dbraw/zinc/29/19/87/370291987.db2.gz MLSKOZMGRLUXTA-NSHDSACASA-N 1 2 243.303 1.215 20 0 BDADLO CCCCc1nc(C[NH2+]C(C)(C)COC)no1 ZINC000076493857 370298655 /nfs/dbraw/zinc/29/86/55/370298655.db2.gz FIOHLDIXIBVBCY-UHFFFAOYSA-N 1 2 241.335 1.927 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)s1 ZINC000621372712 370311057 /nfs/dbraw/zinc/31/10/57/370311057.db2.gz ZZKJJNGLCSARDK-PSASIEDQSA-N 1 2 241.360 1.297 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)s1 ZINC000621372712 370311062 /nfs/dbraw/zinc/31/10/62/370311062.db2.gz ZZKJJNGLCSARDK-PSASIEDQSA-N 1 2 241.360 1.297 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000621475161 370367915 /nfs/dbraw/zinc/36/79/15/370367915.db2.gz YTNYOVIEHSTCMW-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO CCCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621530269 370379981 /nfs/dbraw/zinc/37/99/81/370379981.db2.gz YOAPDOLPOVHPST-UHFFFAOYSA-N 1 2 223.320 1.946 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCCOCC2)n1 ZINC000621625542 370409514 /nfs/dbraw/zinc/40/95/14/370409514.db2.gz TXDFSPMTNIDLLB-MRVPVSSYSA-N 1 2 211.265 1.161 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCCOCC2)n1 ZINC000621625542 370409519 /nfs/dbraw/zinc/40/95/19/370409519.db2.gz TXDFSPMTNIDLLB-MRVPVSSYSA-N 1 2 211.265 1.161 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1cccnc1 ZINC000621721556 370471044 /nfs/dbraw/zinc/47/10/44/370471044.db2.gz SRIHZPHBXJQNAJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1cccnc1 ZINC000621721556 370471047 /nfs/dbraw/zinc/47/10/47/370471047.db2.gz SRIHZPHBXJQNAJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccc(CO)o2)cs1 ZINC000077897960 370502376 /nfs/dbraw/zinc/50/23/76/370502376.db2.gz HEPJOYIAIVUZMF-UHFFFAOYSA-N 1 2 238.312 1.827 20 0 BDADLO Cn1cc(C[NH+]2CC(CC3CC3)C2)nn1 ZINC000621740293 370499281 /nfs/dbraw/zinc/49/92/81/370499281.db2.gz IPLOSOKDZAPMMK-UHFFFAOYSA-N 1 2 206.293 1.047 20 0 BDADLO CO[C@@H](C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621826732 370550847 /nfs/dbraw/zinc/55/08/47/370550847.db2.gz WWUGCHJMKWKBPR-VIFPVBQESA-N 1 2 239.319 1.229 20 0 BDADLO CC(C)c1cc(C[NH2+]Cc2cncn2C)on1 ZINC000114509911 370570963 /nfs/dbraw/zinc/57/09/63/370570963.db2.gz LDALDROYULEUAX-UHFFFAOYSA-N 1 2 234.303 1.821 20 0 BDADLO O[C@H]1CCCC[C@@H]1C[N@@H+]1CCC(F)(F)C1 ZINC000313250620 370574425 /nfs/dbraw/zinc/57/44/25/370574425.db2.gz JZKHTMPEUFMXKD-ZJUUUORDSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1CCCC[C@@H]1C[N@H+]1CCC(F)(F)C1 ZINC000313250620 370574429 /nfs/dbraw/zinc/57/44/29/370574429.db2.gz JZKHTMPEUFMXKD-ZJUUUORDSA-N 1 2 219.275 1.879 20 0 BDADLO CCc1cc(NCCCC(=O)NC2CC2)nc[nH+]1 ZINC000078597929 370580022 /nfs/dbraw/zinc/58/00/22/370580022.db2.gz SBBHEOHGXWHIME-UHFFFAOYSA-N 1 2 248.330 1.510 20 0 BDADLO C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)[C@H]1C ZINC000621900726 370590235 /nfs/dbraw/zinc/59/02/35/370590235.db2.gz FYYYZIBATBXJEQ-UWVGGRQHSA-N 1 2 235.331 1.944 20 0 BDADLO CC(C)(C(=O)NC1CC(F)(F)C1)c1c[nH]c[nH+]1 ZINC000621973993 370630154 /nfs/dbraw/zinc/63/01/54/370630154.db2.gz GDLJIDIHGCGNGU-UHFFFAOYSA-N 1 2 243.257 1.601 20 0 BDADLO Cc1ccncc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000622648641 371034159 /nfs/dbraw/zinc/03/41/59/371034159.db2.gz COTSMOSSCKDGKM-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCCCc1cc(N[C@H](C)CO)nc[nH+]1 ZINC000631050711 371108121 /nfs/dbraw/zinc/10/81/21/371108121.db2.gz KKXYIRRNZDZNNG-SECBINFHSA-N 1 2 209.293 1.612 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)C(C)(C)CO ZINC000124807840 371237581 /nfs/dbraw/zinc/23/75/81/371237581.db2.gz SRQDOQYDLROEIR-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)C(C)(C)CO ZINC000124807840 371237587 /nfs/dbraw/zinc/23/75/87/371237587.db2.gz SRQDOQYDLROEIR-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccco1 ZINC000624018464 371253108 /nfs/dbraw/zinc/25/31/08/371253108.db2.gz RWXHHDINXPYVJD-VHSXEESVSA-N 1 2 235.287 1.397 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000163921370 326407205 /nfs/dbraw/zinc/40/72/05/326407205.db2.gz DCZKRGWNUJTVTD-DCAQKATOSA-N 1 2 243.347 1.323 20 0 BDADLO O=c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c[nH]1 ZINC000631069249 371292672 /nfs/dbraw/zinc/29/26/72/371292672.db2.gz QVGQCMUSLZNFPF-CYBMUJFWSA-N 1 2 247.342 1.361 20 0 BDADLO C/C=C/CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000624086456 371299353 /nfs/dbraw/zinc/29/93/53/371299353.db2.gz GZCVQHPZBHYBLC-HPOULIHZSA-N 1 2 234.303 1.142 20 0 BDADLO C/C=C/CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000624086456 371299356 /nfs/dbraw/zinc/29/93/56/371299356.db2.gz GZCVQHPZBHYBLC-HPOULIHZSA-N 1 2 234.303 1.142 20 0 BDADLO C/C=C/CNC(=O)NCc1c[nH+]ccc1OC ZINC000624107604 371311850 /nfs/dbraw/zinc/31/18/50/371311850.db2.gz PSUOBFDYSBFYGN-ONEGZZNKSA-N 1 2 235.287 1.466 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C12CC(C1)C2 ZINC000624155988 371351075 /nfs/dbraw/zinc/35/10/75/371351075.db2.gz LYPKXWURDAAXHK-GRZMOONWSA-N 1 2 219.288 1.188 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2ccoc2)[nH]1 ZINC000392387661 371379648 /nfs/dbraw/zinc/37/96/48/371379648.db2.gz YMYKHOHBHFSJET-QMMMGPOBSA-N 1 2 220.276 1.811 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](C)[C@H](CO)C1 ZINC000624413683 371503169 /nfs/dbraw/zinc/50/31/69/371503169.db2.gz NTHWHQVRDYVHLF-MNOVXSKESA-N 1 2 236.315 1.545 20 0 BDADLO CCc1ocnc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627367848 371584677 /nfs/dbraw/zinc/58/46/77/371584677.db2.gz GHYFKHFOPWCULM-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO CCc1ocnc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627367848 371584683 /nfs/dbraw/zinc/58/46/83/371584683.db2.gz GHYFKHFOPWCULM-UHFFFAOYSA-N 1 2 246.270 1.159 20 0 BDADLO O=C([C@@H]1CCSC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627369253 371588204 /nfs/dbraw/zinc/58/82/04/371588204.db2.gz OXUSMNNKVOFTNY-MRVPVSSYSA-N 1 2 237.328 1.048 20 0 BDADLO O=C([C@@H]1CCSC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627369253 371588208 /nfs/dbraw/zinc/58/82/08/371588208.db2.gz OXUSMNNKVOFTNY-MRVPVSSYSA-N 1 2 237.328 1.048 20 0 BDADLO O=C(CCOCC1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627369175 371589004 /nfs/dbraw/zinc/58/90/04/371589004.db2.gz MPCBKBOZWWASQN-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO O=C(CCOCC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627369175 371589012 /nfs/dbraw/zinc/58/90/12/371589012.db2.gz MPCBKBOZWWASQN-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO CCC1(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000627581833 371761944 /nfs/dbraw/zinc/76/19/44/371761944.db2.gz WDBRNNQFOGQVRU-NSHDSACASA-N 1 2 247.342 1.813 20 0 BDADLO COC1CC(C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000627656971 371815812 /nfs/dbraw/zinc/81/58/12/371815812.db2.gz HYIOYLBRWXIWGA-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc(C)on2)cn1 ZINC000227285413 371825219 /nfs/dbraw/zinc/82/52/19/371825219.db2.gz GRDXIEDQBUESAD-UHFFFAOYSA-N 1 2 234.303 1.879 20 0 BDADLO O=C(C1C=CC=CC=C1)N1CCn2c[nH+]cc2C1 ZINC000366354501 181860309 /nfs/dbraw/zinc/86/03/09/181860309.db2.gz CWQMFDDOHMXQPR-UHFFFAOYSA-N 1 2 241.294 1.524 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CC1CSC1 ZINC000631140561 372207139 /nfs/dbraw/zinc/20/71/39/372207139.db2.gz OQXCTGUBEQRUDR-UHFFFAOYSA-N 1 2 222.313 1.504 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@@H]2CCOC2)[nH+]1 ZINC000631178983 372219300 /nfs/dbraw/zinc/21/93/00/372219300.db2.gz OAGIVVJNZJJIQP-SECBINFHSA-N 1 2 246.314 1.704 20 0 BDADLO CC(C)n1cc(C[NH2+]CC(C)(C)F)nn1 ZINC000631189676 372225104 /nfs/dbraw/zinc/22/51/04/372225104.db2.gz WOFQZJNTUHIADD-UHFFFAOYSA-N 1 2 214.288 1.697 20 0 BDADLO CCCCc1cc(NCCC(C)(C)O)nc[nH+]1 ZINC000631212977 372237610 /nfs/dbraw/zinc/23/76/10/372237610.db2.gz JPMGQLVZYINBII-UHFFFAOYSA-N 1 2 237.347 1.814 20 0 BDADLO CCCCc1cc(NCC(F)F)nc[nH+]1 ZINC000631140300 372206856 /nfs/dbraw/zinc/20/68/56/372206856.db2.gz YOCWTLRYFBIKDL-UHFFFAOYSA-N 1 2 215.247 1.918 20 0 BDADLO Cc1nc(N2CC[C@H]2C(F)(F)F)cc[nH+]1 ZINC000631343734 372303149 /nfs/dbraw/zinc/30/31/49/372303149.db2.gz OFMLMEVRZBXASE-ZETCQYMHSA-N 1 2 217.194 1.926 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)[C@H](O)C(F)(F)F ZINC000631236785 372254944 /nfs/dbraw/zinc/25/49/44/372254944.db2.gz QEPOZKJRAJDFCW-VDTYLAMSSA-N 1 2 224.182 1.076 20 0 BDADLO CCc1cc(N[C@@H](C)c2nccc(N)n2)nc[nH+]1 ZINC000631354510 372310080 /nfs/dbraw/zinc/31/00/80/372310080.db2.gz KNYUAAQIVIJWJQ-QMMMGPOBSA-N 1 2 244.302 1.415 20 0 BDADLO Cc1ccc(NCC(C)(C)n2cc[nH+]c2)nn1 ZINC000631368788 372317591 /nfs/dbraw/zinc/31/75/91/372317591.db2.gz UMVVZYDSPUEXIU-UHFFFAOYSA-N 1 2 231.303 1.251 20 0 BDADLO Cc1nsc(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000631368642 372318285 /nfs/dbraw/zinc/31/82/85/372318285.db2.gz ORZYYKGHGDJRJO-UHFFFAOYSA-N 1 2 237.332 1.312 20 0 BDADLO Cc1nc(N2CCC[C@H](CCF)C2)nc(N)[nH+]1 ZINC000631370613 372319578 /nfs/dbraw/zinc/31/95/78/372319578.db2.gz QDVYBGKBZIBNDV-SECBINFHSA-N 1 2 239.298 1.169 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](CCF)C2)[nH+]1 ZINC000631370613 372319585 /nfs/dbraw/zinc/31/95/85/372319585.db2.gz QDVYBGKBZIBNDV-SECBINFHSA-N 1 2 239.298 1.169 20 0 BDADLO c1cc2c(nc(C3CC3)[nH+]c2NCC2COC2)[nH]1 ZINC000631391254 372332356 /nfs/dbraw/zinc/33/23/56/372332356.db2.gz GOEUJZVRIVKLEG-UHFFFAOYSA-N 1 2 244.298 1.316 20 0 BDADLO C[C@@H]1C[C@H](O)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000631433652 372362114 /nfs/dbraw/zinc/36/21/14/372362114.db2.gz IXDOOYQQTRDIQG-MWLCHTKSSA-N 1 2 233.315 1.704 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000631425706 372355164 /nfs/dbraw/zinc/35/51/64/372355164.db2.gz JMSDWRWOROJQDV-PHIMTYICSA-N 1 2 248.330 1.481 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000631425706 372355167 /nfs/dbraw/zinc/35/51/67/372355167.db2.gz JMSDWRWOROJQDV-PHIMTYICSA-N 1 2 248.330 1.481 20 0 BDADLO O[C@H]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]c(C3CC3)n1)C2 ZINC000631519975 372406349 /nfs/dbraw/zinc/40/63/49/372406349.db2.gz DVGXDUQPVUXAKY-USWWRNFRSA-N 1 2 245.326 1.704 20 0 BDADLO O[C@H]1C[C@H]2C[C@@H](C1)N(c1cccc[nH+]1)C2 ZINC000631520971 372407333 /nfs/dbraw/zinc/40/73/33/372407333.db2.gz OVDNUXZZROZASW-VWYCJHECSA-N 1 2 204.273 1.431 20 0 BDADLO Cc1ccc(NC(=O)c2c[nH]c(=O)n2C)c(C)[nH+]1 ZINC000631742614 372544205 /nfs/dbraw/zinc/54/42/05/372544205.db2.gz APRYHXDRHKKQGO-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1CC(F)(F)C1 ZINC000293754309 181941824 /nfs/dbraw/zinc/94/18/24/181941824.db2.gz WRNHIPLAEGAZIH-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO CCCNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000171669695 372727947 /nfs/dbraw/zinc/72/79/47/372727947.db2.gz STYIYIRRWBOVFQ-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171669695 372727955 /nfs/dbraw/zinc/72/79/55/372727955.db2.gz STYIYIRRWBOVFQ-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO NC(=O)CC[N@@H+](Cc1ccccc1)CC(F)F ZINC000171990244 372847275 /nfs/dbraw/zinc/84/72/75/372847275.db2.gz KIHBWXKGZYKNCV-UHFFFAOYSA-N 1 2 242.269 1.629 20 0 BDADLO NC(=O)CC[N@H+](Cc1ccccc1)CC(F)F ZINC000171990244 372847283 /nfs/dbraw/zinc/84/72/83/372847283.db2.gz KIHBWXKGZYKNCV-UHFFFAOYSA-N 1 2 242.269 1.629 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N1CCn2c[nH+]cc2C1 ZINC000290956969 182013950 /nfs/dbraw/zinc/01/39/50/182013950.db2.gz QZNWRBDLPJGFAQ-LLVKDONJSA-N 1 2 231.299 1.582 20 0 BDADLO O=C(C[C@H]1CCCO1)Nc1ccn2cc[nH+]c2c1 ZINC000281283951 182029286 /nfs/dbraw/zinc/02/92/86/182029286.db2.gz XFRLACSLPBGULX-LLVKDONJSA-N 1 2 245.282 1.842 20 0 BDADLO O=C(Cc1cccnc1)NCCCn1cc[nH+]c1 ZINC000082269851 182047953 /nfs/dbraw/zinc/04/79/53/182047953.db2.gz MDCZGDUVXSPWQK-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NCCCCF ZINC000360800315 182059086 /nfs/dbraw/zinc/05/90/86/182059086.db2.gz GPJIENRYNTUROJ-UHFFFAOYSA-N 1 2 249.289 1.743 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000076830284 182070560 /nfs/dbraw/zinc/07/05/60/182070560.db2.gz YKPAPOCOGHGSMU-NWDGAFQWSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000172859138 373096593 /nfs/dbraw/zinc/09/65/93/373096593.db2.gz KYGGDPSYQRMTQF-IUCAKERBSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000172859138 373096600 /nfs/dbraw/zinc/09/66/00/373096600.db2.gz KYGGDPSYQRMTQF-IUCAKERBSA-N 1 2 209.293 1.998 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000076830289 182071127 /nfs/dbraw/zinc/07/11/27/182071127.db2.gz YKPAPOCOGHGSMU-NEPJUHHUSA-N 1 2 249.314 1.053 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC(C)(C)C ZINC000632921425 373220414 /nfs/dbraw/zinc/22/04/14/373220414.db2.gz BOSGANHHQFXIFX-UHFFFAOYSA-N 1 2 224.308 1.597 20 0 BDADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)F ZINC000082277982 182081447 /nfs/dbraw/zinc/08/14/47/182081447.db2.gz PHHPYQZROGQMQO-ZETCQYMHSA-N 1 2 247.220 1.678 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632879603 373205825 /nfs/dbraw/zinc/20/58/25/373205825.db2.gz GNFRJZUKNUNBOZ-IUCAKERBSA-N 1 2 222.292 1.207 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCSC1 ZINC000633059517 373274564 /nfs/dbraw/zinc/27/45/64/373274564.db2.gz QUWQDKWGXHYNAM-MRVPVSSYSA-N 1 2 240.332 1.057 20 0 BDADLO COc1cccnc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000633171051 373321339 /nfs/dbraw/zinc/32/13/39/373321339.db2.gz QCUNOZOQOKQRTG-MRVPVSSYSA-N 1 2 246.270 1.304 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC12CCCC2 ZINC000633188604 373332972 /nfs/dbraw/zinc/33/29/72/373332972.db2.gz PNKXBTLKMUGISK-SNVBAGLBSA-N 1 2 248.330 1.884 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1nocc1C ZINC000633191532 373334465 /nfs/dbraw/zinc/33/44/65/373334465.db2.gz TXLGEYULODZBJR-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1conc1C ZINC000633190320 373334614 /nfs/dbraw/zinc/33/46/14/373334614.db2.gz FKHCFEUPUCXWGQ-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633236695 373387376 /nfs/dbraw/zinc/38/73/76/373387376.db2.gz RGTWAMGNOFYGIP-RKDXNWHRSA-N 1 2 222.292 1.350 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336435480 182123376 /nfs/dbraw/zinc/12/33/76/182123376.db2.gz MCWLNUNJQWCVLL-SSDOTTSWSA-N 1 2 247.220 1.124 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1nocc1C ZINC000633284900 373448914 /nfs/dbraw/zinc/44/89/14/373448914.db2.gz CXLGAHGVTDBIPG-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO C[C@H](NC(=O)NCC(C)(C)F)c1[nH+]ccn1C ZINC000633358744 373493391 /nfs/dbraw/zinc/49/33/91/373493391.db2.gz SJAKLGGYGOYCOR-QMMMGPOBSA-N 1 2 242.298 1.528 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336382848 182145150 /nfs/dbraw/zinc/14/51/50/182145150.db2.gz INESLCOQGYROMP-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000633602706 373620263 /nfs/dbraw/zinc/62/02/63/373620263.db2.gz PLPOQIHJEKKVKZ-FXPVBKGRSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000633602706 373620268 /nfs/dbraw/zinc/62/02/68/373620268.db2.gz PLPOQIHJEKKVKZ-FXPVBKGRSA-N 1 2 237.303 1.182 20 0 BDADLO O=C(NCCCCF)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000331152567 182162913 /nfs/dbraw/zinc/16/29/13/182162913.db2.gz JRAZNMQUOOEJRN-VIFPVBQESA-N 1 2 239.294 1.696 20 0 BDADLO O=C(NCCCCF)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000331152567 182162915 /nfs/dbraw/zinc/16/29/15/182162915.db2.gz JRAZNMQUOOEJRN-VIFPVBQESA-N 1 2 239.294 1.696 20 0 BDADLO O=C(NCCCCNc1cccc[nH+]1)C(F)F ZINC000278993288 182164726 /nfs/dbraw/zinc/16/47/26/182164726.db2.gz JPZLTLVRPOVZIM-UHFFFAOYSA-N 1 2 243.257 1.655 20 0 BDADLO O=C(NCCCCF)N1CCn2c[nH+]cc2C1 ZINC000362158140 182161333 /nfs/dbraw/zinc/16/13/33/182161333.db2.gz HUBHPHUUEVPYSG-UHFFFAOYSA-N 1 2 240.282 1.158 20 0 BDADLO CC(C)(F)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000633719865 373707684 /nfs/dbraw/zinc/70/76/84/373707684.db2.gz AMXABIGPZFQLMC-UHFFFAOYSA-N 1 2 227.283 1.552 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C1CCC1 ZINC000265173801 182168746 /nfs/dbraw/zinc/16/87/46/182168746.db2.gz OYJFVGZGFIFCQS-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1cccc(O)c1 ZINC000020298980 182178486 /nfs/dbraw/zinc/17/84/86/182178486.db2.gz QRAHHNXWMHVOPC-UHFFFAOYSA-N 1 2 245.282 1.409 20 0 BDADLO Cc1scc(CNC(=O)Cn2cc[nH+]c2)c1C ZINC000633973949 373874808 /nfs/dbraw/zinc/87/48/08/373874808.db2.gz TWQXBZQRPXTVFH-UHFFFAOYSA-N 1 2 249.339 1.878 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1CCCCC1 ZINC000049370920 182214659 /nfs/dbraw/zinc/21/46/59/182214659.db2.gz OLJICQAZOFDAPC-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NCC1CCCC1 ZINC000043311144 182214786 /nfs/dbraw/zinc/21/47/86/182214786.db2.gz MILQTURSTCMFPW-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO O=C(NC[C@@H]1CC=CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375435251 182223341 /nfs/dbraw/zinc/22/33/41/182223341.db2.gz FYBYVMBFWCULDD-ZJUUUORDSA-N 1 2 244.285 1.456 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000041015603 374047827 /nfs/dbraw/zinc/04/78/27/374047827.db2.gz VLXZTCQIJLAWEH-UHFFFAOYSA-N 1 2 233.319 1.651 20 0 BDADLO O=C(NC[C@@H]1CCOC1)c1ccc2[nH+]ccn2c1 ZINC000263915857 182226389 /nfs/dbraw/zinc/22/63/89/182226389.db2.gz MKGBANPUKXBSBV-JTQLQIEISA-N 1 2 245.282 1.101 20 0 BDADLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000043731564 182251672 /nfs/dbraw/zinc/25/16/72/182251672.db2.gz MDXWKVSEXGADFN-UHFFFAOYSA-N 1 2 245.326 1.708 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000246706017 374289220 /nfs/dbraw/zinc/28/92/20/374289220.db2.gz KYGGDPSYQRMTQF-DTWKUNHWSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000246706017 374289223 /nfs/dbraw/zinc/28/92/23/374289223.db2.gz KYGGDPSYQRMTQF-DTWKUNHWSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000428233339 206057054 /nfs/dbraw/zinc/05/70/54/206057054.db2.gz RHZJFGADMLSEAU-SDDRHHMPSA-N 1 2 233.315 1.709 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000428233339 206057057 /nfs/dbraw/zinc/05/70/57/206057057.db2.gz RHZJFGADMLSEAU-SDDRHHMPSA-N 1 2 233.315 1.709 20 0 BDADLO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000437056064 206067478 /nfs/dbraw/zinc/06/74/78/206067478.db2.gz HQAMFULREHUJRI-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H](F)CC ZINC000440486083 206076528 /nfs/dbraw/zinc/07/65/28/206076528.db2.gz JCOPXYDIZZXLRP-JQWIXIFHSA-N 1 2 230.327 1.725 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@@H](F)CC ZINC000440486083 206076532 /nfs/dbraw/zinc/07/65/32/206076532.db2.gz JCOPXYDIZZXLRP-JQWIXIFHSA-N 1 2 230.327 1.725 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=CCCCC1 ZINC000336528878 182313141 /nfs/dbraw/zinc/31/31/41/182313141.db2.gz PBRZGXABQNBTBC-LLVKDONJSA-N 1 2 245.326 1.884 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=CCCCC1 ZINC000336528878 182313142 /nfs/dbraw/zinc/31/31/42/182313142.db2.gz PBRZGXABQNBTBC-LLVKDONJSA-N 1 2 245.326 1.884 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC=CC1 ZINC000335158993 182313239 /nfs/dbraw/zinc/31/32/39/182313239.db2.gz RPPCHOQVRFZISD-SNVBAGLBSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC=CC1 ZINC000335158993 182313241 /nfs/dbraw/zinc/31/32/41/182313241.db2.gz RPPCHOQVRFZISD-SNVBAGLBSA-N 1 2 231.299 1.349 20 0 BDADLO CCn1nccc1C[N@H+](CC)C1COC1 ZINC000449426369 206098186 /nfs/dbraw/zinc/09/81/86/206098186.db2.gz OZPWMJYOBIBHBU-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[N@@H+](CC)C1COC1 ZINC000449426369 206098190 /nfs/dbraw/zinc/09/81/90/206098190.db2.gz OZPWMJYOBIBHBU-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CC/C=C\CNC(=O)Nc1cc[nH+]cc1C ZINC000455042143 206114613 /nfs/dbraw/zinc/11/46/13/206114613.db2.gz YTEKKVNLZHPWTE-PLNGDYQASA-N 1 2 219.288 1.900 20 0 BDADLO O=C(Nc1ccc(Cl)cc1)[C@@H]1COCC[NH2+]1 ZINC000083872045 182354075 /nfs/dbraw/zinc/35/40/75/182354075.db2.gz OXJOFSBMBXYLMZ-JTQLQIEISA-N 1 2 240.690 1.267 20 0 BDADLO COC1C[NH+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000459580791 206136130 /nfs/dbraw/zinc/13/61/30/206136130.db2.gz LLSRSOWPAOJYDO-UHFFFAOYSA-N 1 2 247.298 1.809 20 0 BDADLO O=C(Nc1ccc(F)nc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368485498 182360271 /nfs/dbraw/zinc/36/02/71/182360271.db2.gz IKOIXQDSPPDYAV-SSDOTTSWSA-N 1 2 245.204 1.156 20 0 BDADLO O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCCC[NH2+]1 ZINC000238032386 182362671 /nfs/dbraw/zinc/36/26/71/182362671.db2.gz TWVMAZALXRPQIP-JTQLQIEISA-N 1 2 245.286 1.039 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1cnccn1 ZINC000357451189 182374906 /nfs/dbraw/zinc/37/49/06/182374906.db2.gz JFXAZNIHNYQOLN-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1=CCOCC1 ZINC000336447282 182385100 /nfs/dbraw/zinc/38/51/00/182385100.db2.gz HCYBCIOJBRDBGC-UHFFFAOYSA-N 1 2 243.266 1.620 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccncc1 ZINC000355337362 182385523 /nfs/dbraw/zinc/38/55/23/182385523.db2.gz LQJPYKDWUNMERC-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCOC1 ZINC000353676718 182385719 /nfs/dbraw/zinc/38/57/19/182385719.db2.gz MGAHKTNYFKNFHK-JTQLQIEISA-N 1 2 246.270 1.245 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CSC[C@H]1C ZINC000309027728 170272365 /nfs/dbraw/zinc/27/23/65/170272365.db2.gz BUFWJLMCZRSTGR-KXUCPTDWSA-N 1 2 231.361 1.669 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000522058848 259584832 /nfs/dbraw/zinc/58/48/32/259584832.db2.gz GEQBOZIMJQTJLB-GHMZBOCLSA-N 1 2 233.315 1.674 20 0 BDADLO CCOCC[N@H+](CC)Cc1nccn1CC ZINC000107679858 170396645 /nfs/dbraw/zinc/39/66/45/170396645.db2.gz MGWLRUOOLPCXBD-UHFFFAOYSA-N 1 2 225.336 1.761 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nccn1CC ZINC000107679858 170396646 /nfs/dbraw/zinc/39/66/46/170396646.db2.gz MGWLRUOOLPCXBD-UHFFFAOYSA-N 1 2 225.336 1.761 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C/C=C/Cl)C2)[nH]1 ZINC000289457132 183009299 /nfs/dbraw/zinc/00/92/99/183009299.db2.gz PRWHQMKEMOHSLN-BYDTYLDUSA-N 1 2 242.710 1.030 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C/C=C/Cl)C2)[nH]1 ZINC000289457132 183009302 /nfs/dbraw/zinc/00/93/02/183009302.db2.gz PRWHQMKEMOHSLN-BYDTYLDUSA-N 1 2 242.710 1.030 20 0 BDADLO OC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000086001391 183028762 /nfs/dbraw/zinc/02/87/62/183028762.db2.gz PRANIGWLYIROTL-ALCCZGGFSA-N 1 2 210.104 1.762 20 0 BDADLO OC1(C[NH2+]Cc2ccn[nH]2)CCCCCC1 ZINC000079619428 183020150 /nfs/dbraw/zinc/02/01/50/183020150.db2.gz JOVMKVCGGKGUJQ-UHFFFAOYSA-N 1 2 223.320 1.585 20 0 BDADLO OCCCCN(c1cccc[nH+]1)C1CC1 ZINC000301774682 183048974 /nfs/dbraw/zinc/04/89/74/183048974.db2.gz KVYMQYMOVJZTIV-UHFFFAOYSA-N 1 2 206.289 1.823 20 0 BDADLO OCCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000278696628 183052279 /nfs/dbraw/zinc/05/22/79/183052279.db2.gz HYUBCHOTACCUQW-UHFFFAOYSA-N 1 2 236.319 1.261 20 0 BDADLO OCCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000278696628 183052282 /nfs/dbraw/zinc/05/22/82/183052282.db2.gz HYUBCHOTACCUQW-UHFFFAOYSA-N 1 2 236.319 1.261 20 0 BDADLO OCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293163897 183055761 /nfs/dbraw/zinc/05/57/61/183055761.db2.gz OVMXHDWSTWRVPY-UHFFFAOYSA-N 1 2 243.310 1.570 20 0 BDADLO OCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293163897 183055766 /nfs/dbraw/zinc/05/57/66/183055766.db2.gz OVMXHDWSTWRVPY-UHFFFAOYSA-N 1 2 243.310 1.570 20 0 BDADLO OCCN(c1cccc[nH+]1)C1CCOCC1 ZINC000275660042 183072516 /nfs/dbraw/zinc/07/25/16/183072516.db2.gz YLCFDCATAJYCRK-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000039042494 183074114 /nfs/dbraw/zinc/07/41/14/183074114.db2.gz HVEWWHOWPILCFQ-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000039042494 183074116 /nfs/dbraw/zinc/07/41/16/183074116.db2.gz HVEWWHOWPILCFQ-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000177703121 183074732 /nfs/dbraw/zinc/07/47/32/183074732.db2.gz YPHGXBZYLWBFFZ-LBPRGKRZSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000177703121 183074735 /nfs/dbraw/zinc/07/47/35/183074735.db2.gz YPHGXBZYLWBFFZ-LBPRGKRZSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000039042493 183075581 /nfs/dbraw/zinc/07/55/81/183075581.db2.gz HVEWWHOWPILCFQ-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000039042493 183075582 /nfs/dbraw/zinc/07/55/82/183075582.db2.gz HVEWWHOWPILCFQ-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000177707979 183077441 /nfs/dbraw/zinc/07/74/41/183077441.db2.gz NCGOEQPZPQJQRM-UHFFFAOYSA-N 1 2 234.274 1.657 20 0 BDADLO OCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000177707979 183077443 /nfs/dbraw/zinc/07/74/43/183077443.db2.gz NCGOEQPZPQJQRM-UHFFFAOYSA-N 1 2 234.274 1.657 20 0 BDADLO OCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292795409 183079889 /nfs/dbraw/zinc/07/98/89/183079889.db2.gz QWSYDVMRQBYPPY-VIFPVBQESA-N 1 2 201.216 1.575 20 0 BDADLO OCCOCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337418471 183082822 /nfs/dbraw/zinc/08/28/22/183082822.db2.gz SONFKNVYRGXWJR-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO OCCOCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337418471 183082825 /nfs/dbraw/zinc/08/28/25/183082825.db2.gz SONFKNVYRGXWJR-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO OCC[C@@]1(CNc2cccc[nH+]2)CCOC1 ZINC000131675147 183095109 /nfs/dbraw/zinc/09/51/09/183095109.db2.gz FSJXXBXQOZJWAH-LBPRGKRZSA-N 1 2 222.288 1.283 20 0 BDADLO CCCC[C@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000154526228 169011958 /nfs/dbraw/zinc/01/19/58/169011958.db2.gz CQNWDJVXLWKKIK-NSHDSACASA-N 1 2 239.319 1.242 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccon1 ZINC000130699463 183132869 /nfs/dbraw/zinc/13/28/69/183132869.db2.gz CLBZJABYDPYMEN-CQSZACIVSA-N 1 2 244.294 1.766 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccon1 ZINC000130699463 183132871 /nfs/dbraw/zinc/13/28/71/183132871.db2.gz CLBZJABYDPYMEN-CQSZACIVSA-N 1 2 244.294 1.766 20 0 BDADLO CCCCc1noc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000274125916 169031024 /nfs/dbraw/zinc/03/10/24/169031024.db2.gz VPRZFWNACAOYNI-VIFPVBQESA-N 1 2 249.318 1.986 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000051887963 169031549 /nfs/dbraw/zinc/03/15/49/169031549.db2.gz SIEUCGRQDIBNAF-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCCCc1noc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000051887963 169031551 /nfs/dbraw/zinc/03/15/51/169031551.db2.gz SIEUCGRQDIBNAF-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO OC[C@H](CC1CCCC1)[NH2+]Cc1ccn[nH]1 ZINC000309565352 183137356 /nfs/dbraw/zinc/13/73/56/183137356.db2.gz KTJLIMMCJDCOGL-LBPRGKRZSA-N 1 2 223.320 1.441 20 0 BDADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)CC1CCCC1 ZINC000341490418 183137659 /nfs/dbraw/zinc/13/76/59/183137659.db2.gz SKAXYANBOFHYSG-LBPRGKRZSA-N 1 2 237.347 1.688 20 0 BDADLO CCCCc1noc([C@@H](C)[N@H+](CC)CCO)n1 ZINC000305215915 169031580 /nfs/dbraw/zinc/03/15/80/169031580.db2.gz RFSJRZWTWGMFLG-SNVBAGLBSA-N 1 2 241.335 1.787 20 0 BDADLO CCCCc1noc([C@@H](C)[N@@H+](CC)CCO)n1 ZINC000305215915 169031582 /nfs/dbraw/zinc/03/15/82/169031582.db2.gz RFSJRZWTWGMFLG-SNVBAGLBSA-N 1 2 241.335 1.787 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnoc1C1CC1 ZINC000364620100 183129138 /nfs/dbraw/zinc/12/91/38/183129138.db2.gz CKZKHMAMQLYJNH-QWRGUYRKSA-N 1 2 240.278 1.457 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnoc1C1CC1 ZINC000364620100 183129139 /nfs/dbraw/zinc/12/91/39/183129139.db2.gz CKZKHMAMQLYJNH-QWRGUYRKSA-N 1 2 240.278 1.457 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294605755 183150096 /nfs/dbraw/zinc/15/00/96/183150096.db2.gz VIJBYHXSJYHEAB-VIFPVBQESA-N 1 2 242.269 1.564 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294605755 183150097 /nfs/dbraw/zinc/15/00/97/183150097.db2.gz VIJBYHXSJYHEAB-VIFPVBQESA-N 1 2 242.269 1.564 20 0 BDADLO OC[C@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000264926848 183152551 /nfs/dbraw/zinc/15/25/51/183152551.db2.gz NUBJGNGYQDMYJM-LLVKDONJSA-N 1 2 248.330 1.260 20 0 BDADLO OC[C@H]1CCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000264926848 183152552 /nfs/dbraw/zinc/15/25/52/183152552.db2.gz NUBJGNGYQDMYJM-LLVKDONJSA-N 1 2 248.330 1.260 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000336481247 183159692 /nfs/dbraw/zinc/15/96/92/183159692.db2.gz VEMVFHNJMXHPBJ-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000336481247 183159693 /nfs/dbraw/zinc/15/96/93/183159693.db2.gz VEMVFHNJMXHPBJ-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000377396902 183163237 /nfs/dbraw/zinc/16/32/37/183163237.db2.gz DRERCJGKDMEZST-OLZOCXBDSA-N 1 2 219.284 1.152 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000377396902 183163239 /nfs/dbraw/zinc/16/32/39/183163239.db2.gz DRERCJGKDMEZST-OLZOCXBDSA-N 1 2 219.284 1.152 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)o1 ZINC000228007357 183164132 /nfs/dbraw/zinc/16/41/32/183164132.db2.gz OXOYGQTYZRDNFU-OLZOCXBDSA-N 1 2 237.299 1.525 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)o1 ZINC000228007357 183164135 /nfs/dbraw/zinc/16/41/35/183164135.db2.gz OXOYGQTYZRDNFU-OLZOCXBDSA-N 1 2 237.299 1.525 20 0 BDADLO O[C@@H]1C[NH+](Cc2cc(Cl)ccc2F)C[C@H]1O ZINC000236529322 183206361 /nfs/dbraw/zinc/20/63/61/183206361.db2.gz HRQNRVDMZBCBGJ-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000164294371 183223696 /nfs/dbraw/zinc/22/36/96/183223696.db2.gz OYPPCIFKBZBDMK-SNVBAGLBSA-N 1 2 223.301 1.294 20 0 BDADLO CCC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000361647072 169083062 /nfs/dbraw/zinc/08/30/62/169083062.db2.gz XGOJBYACADURQD-UHFFFAOYSA-N 1 2 211.313 1.270 20 0 BDADLO CCC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000361647072 169083065 /nfs/dbraw/zinc/08/30/65/169083065.db2.gz XGOJBYACADURQD-UHFFFAOYSA-N 1 2 211.313 1.270 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cocn1 ZINC000192304467 183213322 /nfs/dbraw/zinc/21/33/22/183213322.db2.gz FLETUTBJYOZZGC-OLZOCXBDSA-N 1 2 230.267 1.423 20 0 BDADLO CCCN(CC)C(=O)NCCn1cc[nH+]c1 ZINC000299415456 169114025 /nfs/dbraw/zinc/11/40/25/169114025.db2.gz TWPCKWFDDQXRMP-UHFFFAOYSA-N 1 2 224.308 1.325 20 0 BDADLO O[C@]1(C[NH2+]Cc2ccn[nH]2)CCc2ccccc21 ZINC000269763726 183252164 /nfs/dbraw/zinc/25/21/64/183252164.db2.gz CXTZOGIFNMPKSG-AWEZNQCLSA-N 1 2 243.310 1.333 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccn(C)c1 ZINC000270999470 169102107 /nfs/dbraw/zinc/10/21/07/169102107.db2.gz KNOVMJWMBDKRBC-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccn(C)c1 ZINC000270999470 169102109 /nfs/dbraw/zinc/10/21/09/169102109.db2.gz KNOVMJWMBDKRBC-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000277033257 183237055 /nfs/dbraw/zinc/23/70/55/183237055.db2.gz FEUQOCXORWIHQO-QWRGUYRKSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000277033257 183237056 /nfs/dbraw/zinc/23/70/56/183237056.db2.gz FEUQOCXORWIHQO-QWRGUYRKSA-N 1 2 248.330 1.624 20 0 BDADLO CCCN(CC(F)F)C(=O)CCc1[nH]cc[nH+]1 ZINC000279255154 169107872 /nfs/dbraw/zinc/10/78/72/169107872.db2.gz UFAKBRBTBOCSBG-UHFFFAOYSA-N 1 2 245.273 1.846 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](CCC3CC3)CC2)[nH]1 ZINC000329668514 183304586 /nfs/dbraw/zinc/30/45/86/183304586.db2.gz RZGNGSFKOZLBGY-UHFFFAOYSA-N 1 2 236.319 1.490 20 0 BDADLO c1cc(-c2noc([C@@H]3CSC[NH2+]3)n2)ccn1 ZINC000229002709 183333088 /nfs/dbraw/zinc/33/30/88/183333088.db2.gz GVIHJMMOOFIIRV-QMMMGPOBSA-N 1 2 234.284 1.467 20 0 BDADLO CCC[N@@H+]1CCCC[C@@H]1c1nc(COC)n[nH]1 ZINC000330859828 169191469 /nfs/dbraw/zinc/19/14/69/169191469.db2.gz RLICUMXRIVECMD-SNVBAGLBSA-N 1 2 238.335 1.888 20 0 BDADLO CCC[N@H+]1CCCC[C@@H]1c1nc(COC)n[nH]1 ZINC000330859828 169191470 /nfs/dbraw/zinc/19/14/70/169191470.db2.gz RLICUMXRIVECMD-SNVBAGLBSA-N 1 2 238.335 1.888 20 0 BDADLO CCC[N@@H+]1CCCC[C@@H]1c1nnc(COC)[nH]1 ZINC000330859828 169191471 /nfs/dbraw/zinc/19/14/71/169191471.db2.gz RLICUMXRIVECMD-SNVBAGLBSA-N 1 2 238.335 1.888 20 0 BDADLO CCC[N@H+]1CCCC[C@@H]1c1nnc(COC)[nH]1 ZINC000330859828 169191472 /nfs/dbraw/zinc/19/14/72/169191472.db2.gz RLICUMXRIVECMD-SNVBAGLBSA-N 1 2 238.335 1.888 20 0 BDADLO CCC[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353268887 169203642 /nfs/dbraw/zinc/20/36/42/169203642.db2.gz SSBFGEJGFWHOPV-UHFFFAOYSA-N 1 2 224.226 1.103 20 0 BDADLO CCC[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353268887 169203644 /nfs/dbraw/zinc/20/36/44/169203644.db2.gz SSBFGEJGFWHOPV-UHFFFAOYSA-N 1 2 224.226 1.103 20 0 BDADLO CCC[N@H+](Cc1nnn(C)n1)Cc1ccccc1 ZINC000192961508 169178101 /nfs/dbraw/zinc/17/81/01/169178101.db2.gz QDXYWTDDDFVGBO-UHFFFAOYSA-N 1 2 245.330 1.622 20 0 BDADLO CCC[N@@H+](Cc1nnn(C)n1)Cc1ccccc1 ZINC000192961508 169178102 /nfs/dbraw/zinc/17/81/02/169178102.db2.gz QDXYWTDDDFVGBO-UHFFFAOYSA-N 1 2 245.330 1.622 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1ncc(C)s1 ZINC000294631446 169227546 /nfs/dbraw/zinc/22/75/46/169227546.db2.gz AJQITZXNCAUBDE-UHFFFAOYSA-N 1 2 227.333 1.067 20 0 BDADLO CCCNC(=O)COc1ccc(C)[nH+]c1CC ZINC000190769977 169232029 /nfs/dbraw/zinc/23/20/29/169232029.db2.gz GAHMLFIWAGMZEP-UHFFFAOYSA-N 1 2 236.315 1.857 20 0 BDADLO c1cn2c(cccc2CN2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000366559516 183345959 /nfs/dbraw/zinc/34/59/59/183345959.db2.gz NNDDWVLJENLQOF-NEPJUHHUSA-N 1 2 229.283 1.307 20 0 BDADLO c1cc(NC[C@@H]2CCCO2)nc(C2CC2)[nH+]1 ZINC000110110809 183356790 /nfs/dbraw/zinc/35/67/90/183356790.db2.gz RPHJSAKLHVLUEB-JTQLQIEISA-N 1 2 219.288 1.945 20 0 BDADLO CCCNC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000267878491 169219181 /nfs/dbraw/zinc/21/91/81/169219181.db2.gz FVHHIOSZQLPKMH-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCCNC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000267878491 169219183 /nfs/dbraw/zinc/21/91/83/169219183.db2.gz FVHHIOSZQLPKMH-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1cnccc1C ZINC000353363406 169219440 /nfs/dbraw/zinc/21/94/40/169219440.db2.gz LOSKUTJTKWGTTG-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1cnccc1C ZINC000353363406 169219441 /nfs/dbraw/zinc/21/94/41/169219441.db2.gz LOSKUTJTKWGTTG-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339227436 169248849 /nfs/dbraw/zinc/24/88/49/169248849.db2.gz AXCIRFIRZGNGBJ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339227436 169248850 /nfs/dbraw/zinc/24/88/50/169248850.db2.gz AXCIRFIRZGNGBJ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO c1ccc(C[N@@H+](CC2OCCO2)C2CC2)nc1 ZINC000272305846 183396085 /nfs/dbraw/zinc/39/60/85/183396085.db2.gz VNTMDQGECHXTOI-UHFFFAOYSA-N 1 2 234.299 1.419 20 0 BDADLO c1ccc(C[N@H+](CC2OCCO2)C2CC2)nc1 ZINC000272305846 183396087 /nfs/dbraw/zinc/39/60/87/183396087.db2.gz VNTMDQGECHXTOI-UHFFFAOYSA-N 1 2 234.299 1.419 20 0 BDADLO CCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000083746930 169281194 /nfs/dbraw/zinc/28/11/94/169281194.db2.gz DWKDZLUKOGIPSU-NSHDSACASA-N 1 2 216.288 1.894 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000265975745 169298323 /nfs/dbraw/zinc/29/83/23/169298323.db2.gz BJJHOXSOVVEGDA-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO CCCOCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280801709 169308375 /nfs/dbraw/zinc/30/83/75/169308375.db2.gz QGRXFBVRKFFTBY-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO CCCOc1ncccc1C[NH2+]Cc1ncc[nH]1 ZINC000067694437 169328806 /nfs/dbraw/zinc/32/88/06/169328806.db2.gz BJUXAZKRYPFQBH-UHFFFAOYSA-N 1 2 246.314 1.883 20 0 BDADLO CCCOc1ncccc1CNCc1[nH]cc[nH+]1 ZINC000067694437 169328808 /nfs/dbraw/zinc/32/88/08/169328808.db2.gz BJUXAZKRYPFQBH-UHFFFAOYSA-N 1 2 246.314 1.883 20 0 BDADLO CCCSCC(=O)NCc1[nH+]ccn1C ZINC000264350181 169337866 /nfs/dbraw/zinc/33/78/66/169337866.db2.gz WXCSHGWGELEOBP-UHFFFAOYSA-N 1 2 227.333 1.180 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000182522897 134345742 /nfs/dbraw/zinc/34/57/42/134345742.db2.gz JJPRCFNETVZPGP-UWVGGRQHSA-N 1 2 239.319 1.836 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH+]1CCSCC1 ZINC000077901405 535457647 /nfs/dbraw/zinc/45/76/47/535457647.db2.gz SPWWVQGEXYWMEH-SECBINFHSA-N 1 2 217.334 1.377 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC1CCC1 ZINC000194427282 259620607 /nfs/dbraw/zinc/62/06/07/259620607.db2.gz WKEIQCKHEBKGFJ-UHFFFAOYSA-N 1 2 217.276 1.668 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000227104207 259626773 /nfs/dbraw/zinc/62/67/73/259626773.db2.gz IMDWCVVGJHMWKK-VWYCJHECSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1cc(N(C)CCCCCO)nc[nH+]1 ZINC000227109851 134372884 /nfs/dbraw/zinc/37/28/84/134372884.db2.gz YGCDYFBCEAGVPE-UHFFFAOYSA-N 1 2 209.293 1.384 20 0 BDADLO O=C1C[C@@H](CNc2ccc3ccccc3[nH+]2)CN1 ZINC000334728918 383825459 /nfs/dbraw/zinc/82/54/59/383825459.db2.gz SYKVCCOBUBCNLS-JTQLQIEISA-N 1 2 241.294 1.205 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152543980 383879226 /nfs/dbraw/zinc/87/92/26/383879226.db2.gz VEPSZFLLVUQURU-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CCCn1ncnc1C[NH2+][C@H](C)c1cccnc1 ZINC000088589283 383915701 /nfs/dbraw/zinc/91/57/01/383915701.db2.gz YBBBQEQEFLPFDE-LLVKDONJSA-N 1 2 245.330 1.934 20 0 BDADLO CC1=C(C)CN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292352193 383889626 /nfs/dbraw/zinc/88/96/26/383889626.db2.gz OGVXXGQQGJYRHB-UHFFFAOYSA-N 1 2 248.330 1.672 20 0 BDADLO CCc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088357761 383894394 /nfs/dbraw/zinc/89/43/94/383894394.db2.gz UKHZIVFJOSPUCP-LBPRGKRZSA-N 1 2 234.299 1.176 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119855370 383902894 /nfs/dbraw/zinc/90/28/94/383902894.db2.gz LFGACASIMQWOHF-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119855370 383902896 /nfs/dbraw/zinc/90/28/96/383902896.db2.gz LFGACASIMQWOHF-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1nnc(C[NH+]2CCC(CO)CC2)s1 ZINC000358623809 383999757 /nfs/dbraw/zinc/99/97/57/383999757.db2.gz ITRFRDSNNIEUJK-UHFFFAOYSA-N 1 2 227.333 1.051 20 0 BDADLO Cc1ccc(NC(=O)N2CCOC[C@H]2C)c(C)[nH+]1 ZINC000268000231 383951500 /nfs/dbraw/zinc/95/15/00/383951500.db2.gz BVJSSRXHBQOICQ-SNVBAGLBSA-N 1 2 249.314 1.951 20 0 BDADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1nccs1 ZINC000070733099 383962081 /nfs/dbraw/zinc/96/20/81/383962081.db2.gz KROFLWXAPFHZAP-MRVPVSSYSA-N 1 2 248.373 1.228 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000049801932 384043899 /nfs/dbraw/zinc/04/38/99/384043899.db2.gz NXHQCYNKQFGXQK-UHFFFAOYSA-N 1 2 221.300 1.854 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000049801932 384043904 /nfs/dbraw/zinc/04/39/04/384043904.db2.gz NXHQCYNKQFGXQK-UHFFFAOYSA-N 1 2 221.300 1.854 20 0 BDADLO O=C1CC[N@H+](Cc2cccc(Cl)n2)CCN1 ZINC000075713964 384049908 /nfs/dbraw/zinc/04/99/08/384049908.db2.gz ZJXDMKSYRVKOHL-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2cccc(Cl)n2)CCN1 ZINC000075713964 384049913 /nfs/dbraw/zinc/04/99/13/384049913.db2.gz ZJXDMKSYRVKOHL-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO CC(C)[NH2+]Cc1[nH]ncc1Br ZINC000306465577 384030316 /nfs/dbraw/zinc/03/03/16/384030316.db2.gz JROBWJVCCUHOCD-UHFFFAOYSA-N 1 2 218.098 1.670 20 0 BDADLO CC(C)[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000114336010 384032478 /nfs/dbraw/zinc/03/24/78/384032478.db2.gz IMTXWLAYWGWUJL-SECBINFHSA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292451150 384037107 /nfs/dbraw/zinc/03/71/07/384037107.db2.gz WWWGMKUGRNVEKJ-SNVBAGLBSA-N 1 2 238.335 1.606 20 0 BDADLO Cc1cc(C[N@H+](CCO)Cc2ccccc2)no1 ZINC000049752790 384038021 /nfs/dbraw/zinc/03/80/21/384038021.db2.gz QMRJBVHRJKANLL-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1cc(C[N@@H+](CCO)Cc2ccccc2)no1 ZINC000049752790 384038028 /nfs/dbraw/zinc/03/80/28/384038028.db2.gz QMRJBVHRJKANLL-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO CC[C@H](CSC)[N@H+](C)Cc1noc(C)n1 ZINC000091099237 384104081 /nfs/dbraw/zinc/10/40/81/384104081.db2.gz BOFUQBNYMSLYPT-SECBINFHSA-N 1 2 229.349 1.951 20 0 BDADLO CC[C@H](CSC)[N@@H+](C)Cc1noc(C)n1 ZINC000091099237 384104092 /nfs/dbraw/zinc/10/40/92/384104092.db2.gz BOFUQBNYMSLYPT-SECBINFHSA-N 1 2 229.349 1.951 20 0 BDADLO CC[C@@H](NC(=O)c1cnn(C)c1C)c1[nH]cc[nH+]1 ZINC000140539355 384135767 /nfs/dbraw/zinc/13/57/67/384135767.db2.gz NYOYZQBSDHJMIO-SNVBAGLBSA-N 1 2 247.302 1.333 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccco1 ZINC000054859193 384136115 /nfs/dbraw/zinc/13/61/15/384136115.db2.gz RRFUSEAMIWBLMG-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@@H](C)CCO ZINC000569502888 384136085 /nfs/dbraw/zinc/13/60/85/384136085.db2.gz LYVRGQBAKMYZOC-SECBINFHSA-N 1 2 223.320 1.336 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000116269879 384126206 /nfs/dbraw/zinc/12/62/06/384126206.db2.gz TWBVAERRTMTVTQ-NSHDSACASA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000116269879 384126209 /nfs/dbraw/zinc/12/62/09/384126209.db2.gz TWBVAERRTMTVTQ-NSHDSACASA-N 1 2 222.288 1.251 20 0 BDADLO O=C(CC1CCCCC1)NCc1[nH]cc[nH+]1 ZINC000070651466 384129391 /nfs/dbraw/zinc/12/93/91/384129391.db2.gz GJQGDWSAQMOIFW-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000071015978 384147561 /nfs/dbraw/zinc/14/75/61/384147561.db2.gz IWMNKJVVIKOLEE-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000071015978 384147566 /nfs/dbraw/zinc/14/75/66/384147566.db2.gz IWMNKJVVIKOLEE-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000091772901 384142781 /nfs/dbraw/zinc/14/27/81/384142781.db2.gz OLMFQJNNQZESNW-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000091772901 384142785 /nfs/dbraw/zinc/14/27/85/384142785.db2.gz OLMFQJNNQZESNW-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000628121788 384188462 /nfs/dbraw/zinc/18/84/62/384188462.db2.gz WCPHEEKFHSZLEG-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000628121788 384188466 /nfs/dbraw/zinc/18/84/66/384188466.db2.gz WCPHEEKFHSZLEG-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cn1cncc1C[N@H+](C)Cc1cccc(O)c1 ZINC000530963304 384192069 /nfs/dbraw/zinc/19/20/69/384192069.db2.gz MVMZYVMJAYADNA-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1cncc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000530963304 384192072 /nfs/dbraw/zinc/19/20/72/384192072.db2.gz MVMZYVMJAYADNA-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO CN(Cc1c[nH+]cn1C)Cc1cccc(O)c1 ZINC000530963304 384192076 /nfs/dbraw/zinc/19/20/76/384192076.db2.gz MVMZYVMJAYADNA-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000132343808 384224888 /nfs/dbraw/zinc/22/48/88/384224888.db2.gz ILJFQAADBXTMJM-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000132343808 384224895 /nfs/dbraw/zinc/22/48/95/384224895.db2.gz ILJFQAADBXTMJM-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000408471737 384227753 /nfs/dbraw/zinc/22/77/53/384227753.db2.gz ZRBZAQBCGJLIPY-IUCAKERBSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000408471737 384227755 /nfs/dbraw/zinc/22/77/55/384227755.db2.gz ZRBZAQBCGJLIPY-IUCAKERBSA-N 1 2 224.308 1.285 20 0 BDADLO Cn1cccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000082267544 384229800 /nfs/dbraw/zinc/22/98/00/384229800.db2.gz PFVTWBCYOULZRG-UHFFFAOYSA-N 1 2 246.314 1.432 20 0 BDADLO C[C@H](O)C[C@@H]1CCCN1c1cccc[nH+]1 ZINC000133362419 384245307 /nfs/dbraw/zinc/24/53/07/384245307.db2.gz TYQUEOHYSCIWSJ-QWRGUYRKSA-N 1 2 206.289 1.821 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3ccsc3C2)n1C ZINC000132892811 384261005 /nfs/dbraw/zinc/26/10/05/384261005.db2.gz HAHRIEWPUCBNJO-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3ccsc3C2)n1C ZINC000132892811 384261009 /nfs/dbraw/zinc/26/10/09/384261009.db2.gz HAHRIEWPUCBNJO-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]c3ccccc3n2C)CO1 ZINC000335432234 384272773 /nfs/dbraw/zinc/27/27/73/384272773.db2.gz BFXBSLHNYWEERY-UWVGGRQHSA-N 1 2 231.299 1.585 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc(O)c1 ZINC000094687841 384310926 /nfs/dbraw/zinc/31/09/26/384310926.db2.gz RELNPPSXHVPGAU-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc(O)c1 ZINC000094687841 384310934 /nfs/dbraw/zinc/31/09/34/384310934.db2.gz RELNPPSXHVPGAU-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO Cc1nc(N2CCC(C)(C)CC2)nc(N)[nH+]1 ZINC000304440445 384311884 /nfs/dbraw/zinc/31/18/84/384311884.db2.gz HWXZAJLQNBZDQL-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO Cc1nc(N)nc(N2CCC(C)(C)CC2)[nH+]1 ZINC000304440445 384311890 /nfs/dbraw/zinc/31/18/90/384311890.db2.gz HWXZAJLQNBZDQL-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO Cc1noc(C)c1C[N@H+](CC(N)=O)C(C)(C)C ZINC000133897906 384321112 /nfs/dbraw/zinc/32/11/12/384321112.db2.gz CPLZRMKKCMMXAD-UHFFFAOYSA-N 1 2 239.319 1.377 20 0 BDADLO Cc1noc(C)c1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000133897906 384321115 /nfs/dbraw/zinc/32/11/15/384321115.db2.gz CPLZRMKKCMMXAD-UHFFFAOYSA-N 1 2 239.319 1.377 20 0 BDADLO Cc1nc(NC[C@@]2(C)CCCS2)nc(N)[nH+]1 ZINC000304410508 384286152 /nfs/dbraw/zinc/28/61/52/384286152.db2.gz CCSLBQZRUICNDL-SNVBAGLBSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1nc(N)nc(NC[C@@]2(C)CCCS2)[nH+]1 ZINC000304410508 384286155 /nfs/dbraw/zinc/28/61/55/384286155.db2.gz CCSLBQZRUICNDL-SNVBAGLBSA-N 1 2 239.348 1.460 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000428010921 384299679 /nfs/dbraw/zinc/29/96/79/384299679.db2.gz NMYRFPONHDLTLO-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO C[N@H+](Cc1nnnn1-c1ccccc1)C1CCC1 ZINC000075840809 384342605 /nfs/dbraw/zinc/34/26/05/384342605.db2.gz FESJYWMUJAPDJI-UHFFFAOYSA-N 1 2 243.314 1.647 20 0 BDADLO C[N@@H+](Cc1nnnn1-c1ccccc1)C1CCC1 ZINC000075840809 384342610 /nfs/dbraw/zinc/34/26/10/384342610.db2.gz FESJYWMUJAPDJI-UHFFFAOYSA-N 1 2 243.314 1.647 20 0 BDADLO CC[C@H]1CCCCN1c1nc(C)[nH+]c(N)n1 ZINC000304519313 384344725 /nfs/dbraw/zinc/34/47/25/384344725.db2.gz SAEKVDRBRPXANN-VIFPVBQESA-N 1 2 221.308 1.531 20 0 BDADLO CC[C@H]1CCCCN1c1nc(N)nc(C)[nH+]1 ZINC000304519313 384344729 /nfs/dbraw/zinc/34/47/29/384344729.db2.gz SAEKVDRBRPXANN-VIFPVBQESA-N 1 2 221.308 1.531 20 0 BDADLO Nc1ccc(NC(=O)C[C@@H]2CCCCO2)c[nH+]1 ZINC000095032414 384326560 /nfs/dbraw/zinc/32/65/60/384326560.db2.gz UFALYTMXVNOYTR-JTQLQIEISA-N 1 2 235.287 1.562 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000332679491 384330586 /nfs/dbraw/zinc/33/05/86/384330586.db2.gz SNZJBLKGUCRDPF-SNVBAGLBSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000332679491 384330593 /nfs/dbraw/zinc/33/05/93/384330593.db2.gz SNZJBLKGUCRDPF-SNVBAGLBSA-N 1 2 238.335 1.033 20 0 BDADLO Cc1cccc(CCNc2nc(C)[nH+]c(N)n2)c1 ZINC000302616770 384396520 /nfs/dbraw/zinc/39/65/20/384396520.db2.gz MNCZDXXSOAAGHD-UHFFFAOYSA-N 1 2 243.314 1.725 20 0 BDADLO Cc1cccc(CCNc2nc(N)nc(C)[nH+]2)c1 ZINC000302616770 384396524 /nfs/dbraw/zinc/39/65/24/384396524.db2.gz MNCZDXXSOAAGHD-UHFFFAOYSA-N 1 2 243.314 1.725 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000077459895 384407962 /nfs/dbraw/zinc/40/79/62/384407962.db2.gz VYUQWYARVQKKIU-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000077459895 384407967 /nfs/dbraw/zinc/40/79/67/384407967.db2.gz VYUQWYARVQKKIU-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1cccn1C ZINC000050596070 384380823 /nfs/dbraw/zinc/38/08/23/384380823.db2.gz LAUZQUATKWCOGC-UHFFFAOYSA-N 1 2 204.277 1.346 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCCO1 ZINC000121919986 384444711 /nfs/dbraw/zinc/44/47/11/384444711.db2.gz NFRKEUGEHISFSS-SNVBAGLBSA-N 1 2 235.287 1.691 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000082784230 384445552 /nfs/dbraw/zinc/44/55/52/384445552.db2.gz INUAHAKOWJDEJP-GHMZBOCLSA-N 1 2 223.320 1.703 20 0 BDADLO CCC[C@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000078488522 384447905 /nfs/dbraw/zinc/44/79/05/384447905.db2.gz BCMGDCLJODELSO-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000556680070 384450465 /nfs/dbraw/zinc/45/04/65/384450465.db2.gz MVNBJOPRJHYQFX-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000556680070 384450468 /nfs/dbraw/zinc/45/04/68/384450468.db2.gz MVNBJOPRJHYQFX-MRVPVSSYSA-N 1 2 241.291 1.324 20 0 BDADLO Nc1[nH+]cnc(NCc2ccccn2)c1Cl ZINC000236393061 384439966 /nfs/dbraw/zinc/43/99/66/384439966.db2.gz YPNBVAFNLBTADW-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Nc1nc[nH+]c(NCc2ccccn2)c1Cl ZINC000236393061 384439973 /nfs/dbraw/zinc/43/99/73/384439973.db2.gz YPNBVAFNLBTADW-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO CC(C)N(Cc1[nH+]ccn1C)CC(F)F ZINC000135399728 384440427 /nfs/dbraw/zinc/44/04/27/384440427.db2.gz ATSBIVVGDDSVCQ-UHFFFAOYSA-N 1 2 217.263 1.896 20 0 BDADLO Nc1[nH+]cnc(NCCC2CC2)c1Cl ZINC000236390859 384440895 /nfs/dbraw/zinc/44/08/95/384440895.db2.gz NRGVUTILOFRWNN-UHFFFAOYSA-N 1 2 212.684 1.924 20 0 BDADLO Nc1nc[nH+]c(NCCC2CC2)c1Cl ZINC000236390859 384440901 /nfs/dbraw/zinc/44/09/01/384440901.db2.gz NRGVUTILOFRWNN-UHFFFAOYSA-N 1 2 212.684 1.924 20 0 BDADLO C[C@@H](N[C@@H]1CCn2cc[nH+]c21)C(C)(F)F ZINC000335658611 384462742 /nfs/dbraw/zinc/46/27/42/384462742.db2.gz VHTKGEDOJFDAJO-HTQZYQBOSA-N 1 2 215.247 1.961 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647271097 384479058 /nfs/dbraw/zinc/47/90/58/384479058.db2.gz RTPMWXAWGLWVGP-UWVGGRQHSA-N 1 2 239.294 1.310 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2C)cc1F ZINC000330703562 384482370 /nfs/dbraw/zinc/48/23/70/384482370.db2.gz LDLIKIGJVZALKB-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO O=C(C[N@H+](Cc1ccccn1)C1CC1)NC1CC1 ZINC000078721173 384458134 /nfs/dbraw/zinc/45/81/34/384458134.db2.gz YRBRWVSPEIRCFS-UHFFFAOYSA-N 1 2 245.326 1.325 20 0 BDADLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)NC1CC1 ZINC000078721173 384458142 /nfs/dbraw/zinc/45/81/42/384458142.db2.gz YRBRWVSPEIRCFS-UHFFFAOYSA-N 1 2 245.326 1.325 20 0 BDADLO CCCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047595901 384458731 /nfs/dbraw/zinc/45/87/31/384458731.db2.gz ZTJGBJBONOEMMJ-SNVBAGLBSA-N 1 2 224.308 1.371 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C3CC3)no2)C1 ZINC000556815412 384505738 /nfs/dbraw/zinc/50/57/38/384505738.db2.gz UNFOBUOLLULREJ-AOOOYVTPSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C3CC3)no2)C1 ZINC000556815412 384505745 /nfs/dbraw/zinc/50/57/45/384505745.db2.gz UNFOBUOLLULREJ-AOOOYVTPSA-N 1 2 237.303 1.556 20 0 BDADLO COc1ccc(N[C@H]2CO[C@H](C)C2)[nH+]c1 ZINC000402134910 384506621 /nfs/dbraw/zinc/50/66/21/384506621.db2.gz IIVIJZREDRINRS-RKDXNWHRSA-N 1 2 208.261 1.680 20 0 BDADLO CC(C)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000170484488 384509931 /nfs/dbraw/zinc/50/99/31/384509931.db2.gz JLOAFHNYTSBZIN-UHFFFAOYSA-N 1 2 227.333 1.799 20 0 BDADLO C=C/C(C)=C\CC(=O)NCCn1cc[nH+]c1 ZINC000648146532 384487183 /nfs/dbraw/zinc/48/71/83/384487183.db2.gz ADWBVPYXLIBQCU-WCIBSUBMSA-N 1 2 219.288 1.522 20 0 BDADLO CCCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000048849818 384512521 /nfs/dbraw/zinc/51/25/21/384512521.db2.gz RUTUDIAUPZPEIV-UHFFFAOYSA-N 1 2 246.314 1.934 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000238323410 384536015 /nfs/dbraw/zinc/53/60/15/384536015.db2.gz PSNBMNRDPMXMEU-UHFFFAOYSA-N 1 2 218.300 1.181 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000238323410 384536021 /nfs/dbraw/zinc/53/60/21/384536021.db2.gz PSNBMNRDPMXMEU-UHFFFAOYSA-N 1 2 218.300 1.181 20 0 BDADLO Cc1ccoc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000556844249 384520860 /nfs/dbraw/zinc/52/08/60/384520860.db2.gz UVXADMKPZKLFII-UHFFFAOYSA-N 1 2 246.270 1.029 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561144324 384523633 /nfs/dbraw/zinc/52/36/33/384523633.db2.gz FKWMEACDVZJAEL-GMTAPVOTSA-N 1 2 233.315 1.218 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000150925622 384525281 /nfs/dbraw/zinc/52/52/81/384525281.db2.gz BITVFQBUEXVSNP-SECBINFHSA-N 1 2 234.303 1.243 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCSC)[C@H](C)CC ZINC000183571842 384539225 /nfs/dbraw/zinc/53/92/25/384539225.db2.gz AZVKJQLWDYVBHQ-NXEZZACHSA-N 1 2 233.377 1.917 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000183961860 384541773 /nfs/dbraw/zinc/54/17/73/384541773.db2.gz QHLIGVIQHCFFMQ-GHMZBOCLSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1nc(NC[C@@H]2Cc3ccccc32)nc(N)[nH+]1 ZINC000306119872 384571491 /nfs/dbraw/zinc/57/14/91/384571491.db2.gz ZIPLPOQRBMIYTH-JTQLQIEISA-N 1 2 241.298 1.514 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2Cc3ccccc32)[nH+]1 ZINC000306119872 384571498 /nfs/dbraw/zinc/57/14/98/384571498.db2.gz ZIPLPOQRBMIYTH-JTQLQIEISA-N 1 2 241.298 1.514 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)C1 ZINC000569621551 384578150 /nfs/dbraw/zinc/57/81/50/384578150.db2.gz PLQCXMJBVMJJFD-ZJUUUORDSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)C1 ZINC000569621551 384578155 /nfs/dbraw/zinc/57/81/55/384578155.db2.gz PLQCXMJBVMJJFD-ZJUUUORDSA-N 1 2 221.304 1.457 20 0 BDADLO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)C(=O)OC ZINC000336647132 384564885 /nfs/dbraw/zinc/56/48/85/384564885.db2.gz FHCJGFZRNIAHMG-JQWIXIFHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2ccon2)cn1 ZINC000309786526 384609458 /nfs/dbraw/zinc/60/94/58/384609458.db2.gz OESCYUMNQMSDCQ-VIFPVBQESA-N 1 2 218.260 1.624 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573372 384620724 /nfs/dbraw/zinc/62/07/24/384620724.db2.gz NWGXHKTWIQVUDW-MFKMUULPSA-N 1 2 219.284 1.852 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573372 384620727 /nfs/dbraw/zinc/62/07/27/384620727.db2.gz NWGXHKTWIQVUDW-MFKMUULPSA-N 1 2 219.284 1.852 20 0 BDADLO Cn1ncnc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000172718580 384624476 /nfs/dbraw/zinc/62/44/76/384624476.db2.gz KLTBGMVUEPMKIW-ZDUSSCGKSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1ncnc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000172718580 384624481 /nfs/dbraw/zinc/62/44/81/384624481.db2.gz KLTBGMVUEPMKIW-ZDUSSCGKSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172773815 384627379 /nfs/dbraw/zinc/62/73/79/384627379.db2.gz XUGXIUOCKNOSRN-AOOOYVTPSA-N 1 2 243.314 1.456 20 0 BDADLO COc1ncccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000561332881 384666564 /nfs/dbraw/zinc/66/65/64/384666564.db2.gz IOZCTAHRHYKPMY-SNVBAGLBSA-N 1 2 249.314 1.369 20 0 BDADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccon1 ZINC000309862948 384676617 /nfs/dbraw/zinc/67/66/17/384676617.db2.gz NLPZMMFBJUHCQF-SNVBAGLBSA-N 1 2 238.312 1.868 20 0 BDADLO Cc1nc(N2CCC[C@H](c3nnc[nH]3)C2)cc[nH+]1 ZINC000363598910 384647284 /nfs/dbraw/zinc/64/72/84/384647284.db2.gz FMOYEQVVJSFYNE-JTQLQIEISA-N 1 2 244.302 1.287 20 0 BDADLO C[C@@H](O)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000162649576 384658585 /nfs/dbraw/zinc/65/85/85/384658585.db2.gz PGMHUQUAIFTTJW-ZJUUUORDSA-N 1 2 231.299 1.770 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC3(CCC3)C2)no1 ZINC000334686492 384676714 /nfs/dbraw/zinc/67/67/14/384676714.db2.gz VDIFMABLALLPDR-UHFFFAOYSA-N 1 2 236.315 1.986 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC3(CCC3)C2)no1 ZINC000334686492 384676722 /nfs/dbraw/zinc/67/67/22/384676722.db2.gz VDIFMABLALLPDR-UHFFFAOYSA-N 1 2 236.315 1.986 20 0 BDADLO C[C@@H](N[C@@H]1CCn2cc[nH+]c21)C(F)F ZINC000306766864 384677533 /nfs/dbraw/zinc/67/75/33/384677533.db2.gz OMOOHGITRYKUSN-RNFRBKRXSA-N 1 2 201.220 1.571 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(C)n1 ZINC000368333499 384688938 /nfs/dbraw/zinc/68/89/38/384688938.db2.gz TZPIPSIJYIOXEM-QWHCGFSZSA-N 1 2 218.300 1.672 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(C)n1 ZINC000368333499 384688944 /nfs/dbraw/zinc/68/89/44/384688944.db2.gz TZPIPSIJYIOXEM-QWHCGFSZSA-N 1 2 218.300 1.672 20 0 BDADLO FC(F)Cn1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000125135551 384697293 /nfs/dbraw/zinc/69/72/93/384697293.db2.gz ZBQOOJRNZMJCPE-UHFFFAOYSA-N 1 2 227.218 1.483 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401489105 384699245 /nfs/dbraw/zinc/69/92/45/384699245.db2.gz FGZPYDJMQTWHRV-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401489105 384699250 /nfs/dbraw/zinc/69/92/50/384699250.db2.gz FGZPYDJMQTWHRV-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2cccnc21 ZINC000051770504 384706390 /nfs/dbraw/zinc/70/63/90/384706390.db2.gz YSVNVRKNRFQNRP-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2cccnc21 ZINC000051770504 384706396 /nfs/dbraw/zinc/70/63/96/384706396.db2.gz YSVNVRKNRFQNRP-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO CCc1cnc(C[NH2+][C@H](C)C(=O)N(C)C)s1 ZINC000309914198 384709227 /nfs/dbraw/zinc/70/92/27/384709227.db2.gz OJKNQLAGBCWBMO-MRVPVSSYSA-N 1 2 241.360 1.272 20 0 BDADLO COc1ccncc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492956699 533084957 /nfs/dbraw/zinc/08/49/57/533084957.db2.gz SPNXCMIWGAKVKO-NSCUHMNNSA-N 1 2 244.254 1.465 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc2c[nH]nc2c1 ZINC000643883153 384729446 /nfs/dbraw/zinc/72/94/46/384729446.db2.gz QCOIMZITHXRGGW-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc2c[nH]nc2c1 ZINC000643883153 384729455 /nfs/dbraw/zinc/72/94/55/384729455.db2.gz QCOIMZITHXRGGW-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO Cc1[nH]c(CNCc2ccccc2CO)[nH+]c1C ZINC000568269583 384732332 /nfs/dbraw/zinc/73/23/32/384732332.db2.gz PWYMYHZEELWIRX-UHFFFAOYSA-N 1 2 245.326 1.809 20 0 BDADLO C[C@@H]1C[C@@H](O)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000334813793 384734736 /nfs/dbraw/zinc/73/47/36/384734736.db2.gz XLPNPYCABOOZAK-GHMZBOCLSA-N 1 2 245.326 1.780 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)c1cccc(F)c1 ZINC000087114443 384739465 /nfs/dbraw/zinc/73/94/65/384739465.db2.gz HCANZXUPSARWHZ-INIZCTEOSA-N 1 2 238.287 1.867 20 0 BDADLO COC(=O)[C@H](CC(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C ZINC000309957331 384740536 /nfs/dbraw/zinc/74/05/36/384740536.db2.gz JAKARTZWHFRCPQ-CSMHCCOUSA-N 1 2 239.237 1.726 20 0 BDADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(N)=O ZINC000058552290 384752533 /nfs/dbraw/zinc/75/25/33/384752533.db2.gz JQECCGHVUAXIKF-GXFFZTMASA-N 1 2 244.294 1.832 20 0 BDADLO COc1ncncc1CNc1ccc(C)[nH+]c1 ZINC000647193771 384757095 /nfs/dbraw/zinc/75/70/95/384757095.db2.gz TVCUTVWLBUEYHJ-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000042211451 384770463 /nfs/dbraw/zinc/77/04/63/384770463.db2.gz WISCBJGPQPNAJJ-UHFFFAOYSA-N 1 2 211.236 1.431 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000042211451 384770471 /nfs/dbraw/zinc/77/04/71/384770471.db2.gz WISCBJGPQPNAJJ-UHFFFAOYSA-N 1 2 211.236 1.431 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000042211454 384771459 /nfs/dbraw/zinc/77/14/59/384771459.db2.gz HHNAEJAOXMVVPV-UHFFFAOYSA-N 1 2 227.691 1.945 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042211454 384771469 /nfs/dbraw/zinc/77/14/69/384771469.db2.gz HHNAEJAOXMVVPV-UHFFFAOYSA-N 1 2 227.691 1.945 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H](C)CF)nn1 ZINC000308506847 384772656 /nfs/dbraw/zinc/77/26/56/384772656.db2.gz FZWKBLAGZLLPAK-QMMMGPOBSA-N 1 2 200.261 1.307 20 0 BDADLO COC[C@H]([NH2+]CCF)c1ccc(C)o1 ZINC000308596715 384832072 /nfs/dbraw/zinc/83/20/72/384832072.db2.gz MWDXJLLHWWPTDZ-VIFPVBQESA-N 1 2 201.241 1.835 20 0 BDADLO CCCc1nsc(NCCn2cc[nH+]c2)n1 ZINC000083654140 384786935 /nfs/dbraw/zinc/78/69/35/384786935.db2.gz QPXKAMANDIVFNL-UHFFFAOYSA-N 1 2 237.332 1.799 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)OCC ZINC000398075088 384795513 /nfs/dbraw/zinc/79/55/13/384795513.db2.gz KPJNKCIMCHYRGQ-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO CS(=O)(=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000105714041 384801438 /nfs/dbraw/zinc/80/14/38/384801438.db2.gz DREKAXCQEVMXHU-UHFFFAOYSA-N 1 2 244.703 1.532 20 0 BDADLO CCc1cc(N2CCC[C@@H]2CO)nc(C)[nH+]1 ZINC000084082171 384836700 /nfs/dbraw/zinc/83/67/00/384836700.db2.gz HPKSMJLQALROSG-LLVKDONJSA-N 1 2 221.304 1.309 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1CC1(C)C ZINC000518216111 384807344 /nfs/dbraw/zinc/80/73/44/384807344.db2.gz GGKYZMMGMCJVLR-SSDOTTSWSA-N 1 2 246.318 1.234 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]CC1=CCCOC1 ZINC000449667839 384872480 /nfs/dbraw/zinc/87/24/80/384872480.db2.gz VMTHQARDBKEXHF-JTQLQIEISA-N 1 2 227.304 1.263 20 0 BDADLO CC[C@H](F)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000308626295 384875626 /nfs/dbraw/zinc/87/56/26/384875626.db2.gz WOYRWEWOZPWPIG-XPUUQOCRSA-N 1 2 201.245 1.777 20 0 BDADLO C[N@H+](CCc1ccccc1F)Cc1nnc[nH]1 ZINC000186817559 384887256 /nfs/dbraw/zinc/88/72/56/384887256.db2.gz LSIWIVFXVIDPLH-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1ccccc1F)Cc1nnc[nH]1 ZINC000186817559 384887262 /nfs/dbraw/zinc/88/72/62/384887262.db2.gz LSIWIVFXVIDPLH-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO Cc1cc(C)c(C[NH2+]Cc2nnn(C)n2)c(C)c1 ZINC000362959965 384840518 /nfs/dbraw/zinc/84/05/18/384840518.db2.gz HNPJKEFWRYLKBD-UHFFFAOYSA-N 1 2 245.330 1.425 20 0 BDADLO COCCc1noc(C[N@H+](C)CCCF)n1 ZINC000151849325 384841695 /nfs/dbraw/zinc/84/16/95/384841695.db2.gz JJBDOFXYDRKSRL-UHFFFAOYSA-N 1 2 231.271 1.050 20 0 BDADLO COCCc1noc(C[N@@H+](C)CCCF)n1 ZINC000151849325 384841703 /nfs/dbraw/zinc/84/17/03/384841703.db2.gz JJBDOFXYDRKSRL-UHFFFAOYSA-N 1 2 231.271 1.050 20 0 BDADLO CC(=O)Nc1ccccc1C[NH2+]CC(F)F ZINC000147431606 384843064 /nfs/dbraw/zinc/84/30/64/384843064.db2.gz WWPDXWMUBRBNDK-UHFFFAOYSA-N 1 2 228.242 2.000 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1CCCC1 ZINC000025504370 384849399 /nfs/dbraw/zinc/84/93/99/384849399.db2.gz QCFMEWRJHHADFJ-UHFFFAOYSA-N 1 2 231.303 1.965 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccccn1 ZINC000186616087 384856706 /nfs/dbraw/zinc/85/67/06/384856706.db2.gz NNKMKUASFLUBIP-CYBMUJFWSA-N 1 2 232.283 1.363 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccccn1 ZINC000186616087 384856714 /nfs/dbraw/zinc/85/67/14/384856714.db2.gz NNKMKUASFLUBIP-CYBMUJFWSA-N 1 2 232.283 1.363 20 0 BDADLO CC(C)C1(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000647291842 384858498 /nfs/dbraw/zinc/85/84/98/384858498.db2.gz BHKPXBTZABMKEZ-UHFFFAOYSA-N 1 2 221.304 1.267 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccncc1 ZINC000186639467 384861546 /nfs/dbraw/zinc/86/15/46/384861546.db2.gz CRXYEOFXEGQAOK-CYBMUJFWSA-N 1 2 232.283 1.363 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccncc1 ZINC000186639467 384861552 /nfs/dbraw/zinc/86/15/52/384861552.db2.gz CRXYEOFXEGQAOK-CYBMUJFWSA-N 1 2 232.283 1.363 20 0 BDADLO CNc1ccc(Nc2ncccn2)c[nH+]1 ZINC000301180441 384862877 /nfs/dbraw/zinc/86/28/77/384862877.db2.gz PFWYCPSZEOPCPB-UHFFFAOYSA-N 1 2 201.233 1.657 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+](C)CCO)cs1 ZINC000175075314 384865053 /nfs/dbraw/zinc/86/50/53/384865053.db2.gz XEZUHYZWJNPVRU-MRVPVSSYSA-N 1 2 230.333 1.275 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+](C)CCO)cs1 ZINC000175075314 384865058 /nfs/dbraw/zinc/86/50/58/384865058.db2.gz XEZUHYZWJNPVRU-MRVPVSSYSA-N 1 2 230.333 1.275 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)NCC(C)C ZINC000055052411 384866733 /nfs/dbraw/zinc/86/67/33/384866733.db2.gz GLUYTNMQPWFCJM-UHFFFAOYSA-N 1 2 238.331 1.792 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)NCC(C)C ZINC000055052411 384866746 /nfs/dbraw/zinc/86/67/46/384866746.db2.gz GLUYTNMQPWFCJM-UHFFFAOYSA-N 1 2 238.331 1.792 20 0 BDADLO CCCn1cc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000119696330 384951275 /nfs/dbraw/zinc/95/12/75/384951275.db2.gz JCEDBOXYDIKUEQ-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCCn1cc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000119696330 384951278 /nfs/dbraw/zinc/95/12/78/384951278.db2.gz JCEDBOXYDIKUEQ-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CN(CCO)c1cc(C(F)(F)F)cc[nH+]1 ZINC000085486256 384952353 /nfs/dbraw/zinc/95/23/53/384952353.db2.gz SSQQOGOHLZOPKD-UHFFFAOYSA-N 1 2 220.194 1.529 20 0 BDADLO COC[C@H](C)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494363 384953326 /nfs/dbraw/zinc/95/33/26/384953326.db2.gz XILGHIVQQPPKJO-ZJUUUORDSA-N 1 2 231.336 1.589 20 0 BDADLO CCc1cc(C(=O)Nc2cc[nH+]cc2C)n[nH]1 ZINC000107285295 384957124 /nfs/dbraw/zinc/95/71/24/384957124.db2.gz HKOJLMVJXDEBNH-UHFFFAOYSA-N 1 2 230.271 1.928 20 0 BDADLO CC[C@H](C)CN(C)C(=O)NCc1c[nH+]cn1C ZINC000291769579 384891673 /nfs/dbraw/zinc/89/16/73/384891673.db2.gz FHVZCVWBVBOPAV-JTQLQIEISA-N 1 2 238.335 1.608 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)OC2CCC2)C1 ZINC000497242134 384903227 /nfs/dbraw/zinc/90/32/27/384903227.db2.gz FQSXJPRIJZCYLY-JTQLQIEISA-N 1 2 249.314 1.899 20 0 BDADLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCOC1 ZINC000635765790 384905280 /nfs/dbraw/zinc/90/52/80/384905280.db2.gz OZOLTMUBQXBRAY-GIPNMCIBSA-N 1 2 249.314 1.199 20 0 BDADLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCOC1 ZINC000635765790 384905284 /nfs/dbraw/zinc/90/52/84/384905284.db2.gz OZOLTMUBQXBRAY-GIPNMCIBSA-N 1 2 249.314 1.199 20 0 BDADLO O=C(C[NH+]1Cc2ccccc2C1)NC1CC1 ZINC000106305802 384908113 /nfs/dbraw/zinc/90/81/13/384908113.db2.gz SHMXZZDQYYUBFP-UHFFFAOYSA-N 1 2 216.284 1.281 20 0 BDADLO Cc1cccc(O)c1NC(=O)Cn1cc[nH+]c1 ZINC000557461942 384959125 /nfs/dbraw/zinc/95/91/25/384959125.db2.gz GURBJYZEEGQJDP-UHFFFAOYSA-N 1 2 231.255 1.536 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cscn1 ZINC000127830087 384919195 /nfs/dbraw/zinc/91/91/95/384919195.db2.gz ONZFXFHOXIWDJW-IYSWYEEDSA-N 1 2 240.250 1.717 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)OCCCF ZINC000497267008 384931705 /nfs/dbraw/zinc/93/17/05/384931705.db2.gz AWIMKHRETPJWLJ-UHFFFAOYSA-N 1 2 229.255 1.348 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000644518297 384933519 /nfs/dbraw/zinc/93/35/19/384933519.db2.gz VAOXPWBVHDYESM-MRVPVSSYSA-N 1 2 237.225 1.121 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1CCOC1 ZINC000106881625 384938444 /nfs/dbraw/zinc/93/84/44/384938444.db2.gz SBRKYLYYFGIGNT-MRVPVSSYSA-N 1 2 231.246 1.499 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1CCOC1 ZINC000106881625 384938452 /nfs/dbraw/zinc/93/84/52/384938452.db2.gz SBRKYLYYFGIGNT-MRVPVSSYSA-N 1 2 231.246 1.499 20 0 BDADLO Cc1cc(C)c(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000175683933 384945298 /nfs/dbraw/zinc/94/52/98/384945298.db2.gz DJSVSNGESUDFKV-UHFFFAOYSA-N 1 2 247.298 1.913 20 0 BDADLO CCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000057757797 384966741 /nfs/dbraw/zinc/96/67/41/384966741.db2.gz HZHVSHQKNKAAAJ-UHFFFAOYSA-N 1 2 217.272 1.864 20 0 BDADLO COC[C@@H](C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057782698 384967704 /nfs/dbraw/zinc/96/77/04/384967704.db2.gz TYYIKKZLJNKSIO-SNVBAGLBSA-N 1 2 247.298 1.441 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000291853419 384972891 /nfs/dbraw/zinc/97/28/91/384972891.db2.gz JTPSBRSGFBBOHZ-VHSXEESVSA-N 1 2 236.319 1.360 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@@H]1C1CC1 ZINC000530719496 385021508 /nfs/dbraw/zinc/02/15/08/385021508.db2.gz PGAJUZWPHYONTJ-NEPJUHHUSA-N 1 2 245.326 1.656 20 0 BDADLO COCc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000552557624 384989902 /nfs/dbraw/zinc/98/99/02/384989902.db2.gz IYDBFHMNPPRYSK-MRVPVSSYSA-N 1 2 249.270 1.640 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C2CCOCC2)no1 ZINC000530627856 384993892 /nfs/dbraw/zinc/99/38/92/384993892.db2.gz UZXSXUCFLHNHMF-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C2CCOCC2)no1 ZINC000530627856 384993896 /nfs/dbraw/zinc/99/38/96/384993896.db2.gz UZXSXUCFLHNHMF-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000107821428 385001746 /nfs/dbraw/zinc/00/17/46/385001746.db2.gz FWLJEIBLEMNBHM-QMMMGPOBSA-N 1 2 226.301 1.138 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000107821428 385001754 /nfs/dbraw/zinc/00/17/54/385001754.db2.gz FWLJEIBLEMNBHM-QMMMGPOBSA-N 1 2 226.301 1.138 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000179646760 385010937 /nfs/dbraw/zinc/01/09/37/385010937.db2.gz DIWWPEBHVBGHAI-JTQLQIEISA-N 1 2 223.320 1.203 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000179646760 385010943 /nfs/dbraw/zinc/01/09/43/385010943.db2.gz DIWWPEBHVBGHAI-JTQLQIEISA-N 1 2 223.320 1.203 20 0 BDADLO COC[C@@H]([NH2+]CC(OC)OC)c1ccco1 ZINC000119084057 384962234 /nfs/dbraw/zinc/96/22/34/384962234.db2.gz FSIYOWQBHGZOIZ-SECBINFHSA-N 1 2 229.276 1.176 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1cnn(C)c1 ZINC000107286581 384963668 /nfs/dbraw/zinc/96/36/68/384963668.db2.gz GTAKGKDVRYBRTN-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@H](C)O1 ZINC000188394919 385047455 /nfs/dbraw/zinc/04/74/55/385047455.db2.gz YINRBKVDRMDRMB-AAEUAGOBSA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@H](C)O1 ZINC000188394919 385047466 /nfs/dbraw/zinc/04/74/66/385047466.db2.gz YINRBKVDRMDRMB-AAEUAGOBSA-N 1 2 239.315 1.824 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(F)(F)F ZINC000360695488 385049661 /nfs/dbraw/zinc/04/96/61/385049661.db2.gz NSLHGARBQDWQHJ-ZCFIWIBFSA-N 1 2 235.209 1.409 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(F)(F)F ZINC000360695488 385049664 /nfs/dbraw/zinc/04/96/64/385049664.db2.gz NSLHGARBQDWQHJ-ZCFIWIBFSA-N 1 2 235.209 1.409 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000051888058 385051269 /nfs/dbraw/zinc/05/12/69/385051269.db2.gz PVJJXNNXDOVEGY-VIFPVBQESA-N 1 2 225.292 1.007 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000051888058 385051270 /nfs/dbraw/zinc/05/12/70/385051270.db2.gz PVJJXNNXDOVEGY-VIFPVBQESA-N 1 2 225.292 1.007 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1oc(CC)nc1C ZINC000644658803 385067768 /nfs/dbraw/zinc/06/77/68/385067768.db2.gz WGCKWHZEYYYBBX-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1oc(CC)nc1C ZINC000644658803 385067777 /nfs/dbraw/zinc/06/77/77/385067777.db2.gz WGCKWHZEYYYBBX-UHFFFAOYSA-N 1 2 239.319 1.113 20 0 BDADLO CN(CC[N@H+](C)Cc1nnc[nH]1)c1ccccc1 ZINC000176349132 385069774 /nfs/dbraw/zinc/06/97/74/385069774.db2.gz CEPDVILGNXLKGD-UHFFFAOYSA-N 1 2 245.330 1.373 20 0 BDADLO CN(CC[N@@H+](C)Cc1nnc[nH]1)c1ccccc1 ZINC000176349132 385069788 /nfs/dbraw/zinc/06/97/88/385069788.db2.gz CEPDVILGNXLKGD-UHFFFAOYSA-N 1 2 245.330 1.373 20 0 BDADLO Cc1cc(C[N@H+](C)CCOCC(F)F)no1 ZINC000188723044 385084664 /nfs/dbraw/zinc/08/46/64/385084664.db2.gz MYFLGKSCAHNLFB-UHFFFAOYSA-N 1 2 234.246 1.697 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOCC(F)F)no1 ZINC000188723044 385084672 /nfs/dbraw/zinc/08/46/72/385084672.db2.gz MYFLGKSCAHNLFB-UHFFFAOYSA-N 1 2 234.246 1.697 20 0 BDADLO Cc1ccnc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000188646852 385074735 /nfs/dbraw/zinc/07/47/35/385074735.db2.gz CNOPFTSVFYWQEA-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cc1nnc(C[NH2+][C@@](C)(CO)c2ccccc2)[nH]1 ZINC000644667588 385081842 /nfs/dbraw/zinc/08/18/42/385081842.db2.gz XSBIPOVQPRUPSX-ZDUSSCGKSA-N 1 2 246.314 1.110 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000647243084 385028577 /nfs/dbraw/zinc/02/85/77/385028577.db2.gz CXXXSCVBURGBET-KOLCDFICSA-N 1 2 211.309 1.296 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@H](C)C2)cs1 ZINC000334142601 385031571 /nfs/dbraw/zinc/03/15/71/385031571.db2.gz OGPMMCNSSOEUFD-VIFPVBQESA-N 1 2 226.345 1.920 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@H](C)C2)cs1 ZINC000334142601 385031580 /nfs/dbraw/zinc/03/15/80/385031580.db2.gz OGPMMCNSSOEUFD-VIFPVBQESA-N 1 2 226.345 1.920 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000115576401 385040464 /nfs/dbraw/zinc/04/04/64/385040464.db2.gz CYOWJHQFACCUOG-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)N1CCCCC1 ZINC000115576401 385040471 /nfs/dbraw/zinc/04/04/71/385040471.db2.gz CYOWJHQFACCUOG-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](O)CC)C(=O)OC ZINC000304221287 385115521 /nfs/dbraw/zinc/11/55/21/385115521.db2.gz DZKXUQPALWELAU-ONGXEEELSA-N 1 2 217.309 1.079 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ccoc2)nn1 ZINC000289657633 385120231 /nfs/dbraw/zinc/12/02/31/385120231.db2.gz IBNWUBIDIPSNAM-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO O=C(C1CC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000129226839 385123153 /nfs/dbraw/zinc/12/31/53/385123153.db2.gz PZJWBJUDOYPQJL-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO Cc1noc(C)c1CC(=O)Nc1ccc(N)[nH+]c1 ZINC000061680393 385131194 /nfs/dbraw/zinc/13/11/94/385131194.db2.gz BOUFVTZQIGSMRV-UHFFFAOYSA-N 1 2 246.270 1.450 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1[C@H](C)C[C@@H]1C ZINC000491966070 385134187 /nfs/dbraw/zinc/13/41/87/385134187.db2.gz UODCOGBPGMCFBQ-SKUMGHAQSA-N 1 2 233.315 1.926 20 0 BDADLO O=C(C[NH+]1CCC(C2CC2)CC1)Nc1ccon1 ZINC000644719138 385139070 /nfs/dbraw/zinc/13/90/70/385139070.db2.gz LQNAJLIMSGXDED-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+]Cc1ccoc1)CC2 ZINC000294081083 385087879 /nfs/dbraw/zinc/08/78/79/385087879.db2.gz LMPGQGVMNOVMNX-SNVBAGLBSA-N 1 2 203.245 1.711 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CCOC3)CC2)n[nH]1 ZINC000644679367 385092877 /nfs/dbraw/zinc/09/28/77/385092877.db2.gz DQWFEBHQVLTUSO-UHFFFAOYSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)ncn1 ZINC000644682198 385097331 /nfs/dbraw/zinc/09/73/31/385097331.db2.gz ODNWVUKVWYOXOZ-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)ncn1 ZINC000644682198 385097339 /nfs/dbraw/zinc/09/73/39/385097339.db2.gz ODNWVUKVWYOXOZ-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO CC[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000292016407 385106822 /nfs/dbraw/zinc/10/68/22/385106822.db2.gz OVPYGKKJBXZWCD-SNVBAGLBSA-N 1 2 236.319 1.362 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000189827124 385188910 /nfs/dbraw/zinc/18/89/10/385188910.db2.gz ZOSQYRSAICACBS-QWRGUYRKSA-N 1 2 249.314 1.673 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647056995 385196799 /nfs/dbraw/zinc/19/67/99/385196799.db2.gz FWQMYUZNVILOAY-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO COc1ccnc(CN[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000424309879 385144393 /nfs/dbraw/zinc/14/43/93/385144393.db2.gz RKDKRZYICQRTRV-MRVPVSSYSA-N 1 2 233.275 1.059 20 0 BDADLO CC(C)c1[nH+]c2c(n1C)CCN([C@H]1CCOC1)C2 ZINC000336350144 385145493 /nfs/dbraw/zinc/14/54/93/385145493.db2.gz HJNUNNANBYDRNO-NSHDSACASA-N 1 2 249.358 1.691 20 0 BDADLO CC(C)c1nc2c(n1C)CC[N@@H+]([C@H]1CCOC1)C2 ZINC000336350144 385145502 /nfs/dbraw/zinc/14/55/02/385145502.db2.gz HJNUNNANBYDRNO-NSHDSACASA-N 1 2 249.358 1.691 20 0 BDADLO CC(C)c1nc2c(n1C)CC[N@H+]([C@H]1CCOC1)C2 ZINC000336350144 385145508 /nfs/dbraw/zinc/14/55/08/385145508.db2.gz HJNUNNANBYDRNO-NSHDSACASA-N 1 2 249.358 1.691 20 0 BDADLO COc1cc(C[NH2+]Cc2nccn2C)ccn1 ZINC000062058146 385155156 /nfs/dbraw/zinc/15/51/56/385155156.db2.gz GCDRHQCGDLTRSG-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000189531473 385161852 /nfs/dbraw/zinc/16/18/52/385161852.db2.gz AVUGTHQIJNVVET-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC000189531473 385161857 /nfs/dbraw/zinc/16/18/57/385161857.db2.gz AVUGTHQIJNVVET-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO Cc1ccc(NC(=O)N(C)C[C@H](C)O)c(C)[nH+]1 ZINC000152207385 385165557 /nfs/dbraw/zinc/16/55/57/385165557.db2.gz JNBDSEQLYCIJJC-VIFPVBQESA-N 1 2 237.303 1.543 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]cn2C)no1 ZINC000177005026 385168121 /nfs/dbraw/zinc/16/81/21/385168121.db2.gz HVKNSCBBWXTENP-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cncc(C)c1 ZINC000189749599 385179078 /nfs/dbraw/zinc/17/90/78/385179078.db2.gz QWKWOFVZWXGQTK-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cncc(C)c1 ZINC000189749599 385179083 /nfs/dbraw/zinc/17/90/83/385179083.db2.gz QWKWOFVZWXGQTK-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CC(=O)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110110995 385211746 /nfs/dbraw/zinc/21/17/46/385211746.db2.gz KXODZLQABHZYAY-UHFFFAOYSA-N 1 2 246.314 1.023 20 0 BDADLO CCCN(c1nc(C)[nH+]c(N)n1)C1CC1 ZINC000308854680 385215102 /nfs/dbraw/zinc/21/51/02/385215102.db2.gz IEKKWKMLRKWQGY-UHFFFAOYSA-N 1 2 207.281 1.141 20 0 BDADLO CCCN(c1nc(N)nc(C)[nH+]1)C1CC1 ZINC000308854680 385215107 /nfs/dbraw/zinc/21/51/07/385215107.db2.gz IEKKWKMLRKWQGY-UHFFFAOYSA-N 1 2 207.281 1.141 20 0 BDADLO c1cc(N2CCSCC2)nc(C2CC2)[nH+]1 ZINC000110223611 385223341 /nfs/dbraw/zinc/22/33/41/385223341.db2.gz LRKRDUCGYVSNCO-UHFFFAOYSA-N 1 2 221.329 1.907 20 0 BDADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CC1(C)C ZINC000308869032 385225472 /nfs/dbraw/zinc/22/54/72/385225472.db2.gz YDBDTEXSGODBNP-QMMMGPOBSA-N 1 2 206.293 1.289 20 0 BDADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CC1(C)C ZINC000308869032 385225476 /nfs/dbraw/zinc/22/54/76/385225476.db2.gz YDBDTEXSGODBNP-QMMMGPOBSA-N 1 2 206.293 1.289 20 0 BDADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CC1(C)C ZINC000308869031 385225876 /nfs/dbraw/zinc/22/58/76/385225876.db2.gz YDBDTEXSGODBNP-MRVPVSSYSA-N 1 2 206.293 1.289 20 0 BDADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CC1(C)C ZINC000308869031 385225878 /nfs/dbraw/zinc/22/58/78/385225878.db2.gz YDBDTEXSGODBNP-MRVPVSSYSA-N 1 2 206.293 1.289 20 0 BDADLO CC1CC(NC(=O)NCc2c[nH+]cn2C)C1 ZINC000290849402 385256789 /nfs/dbraw/zinc/25/67/89/385256789.db2.gz ZYKSRVYNBVZFEH-UHFFFAOYSA-N 1 2 222.292 1.018 20 0 BDADLO C[C@@H]1COCCN1Cc1c[nH+]c2ccccn12 ZINC000157630812 385238003 /nfs/dbraw/zinc/23/80/03/385238003.db2.gz YWIOUHRAKCVBNE-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc2ccccn12 ZINC000157630812 385238009 /nfs/dbraw/zinc/23/80/09/385238009.db2.gz YWIOUHRAKCVBNE-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc2ccccn12 ZINC000157630812 385238013 /nfs/dbraw/zinc/23/80/13/385238013.db2.gz YWIOUHRAKCVBNE-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cncc(C)c1 ZINC000189981338 385202846 /nfs/dbraw/zinc/20/28/46/385202846.db2.gz SQLBSQRGUXIIAR-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cncc(C)c1 ZINC000189981338 385202852 /nfs/dbraw/zinc/20/28/52/385202852.db2.gz SQLBSQRGUXIIAR-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(F)ccc1F ZINC000191709431 385320027 /nfs/dbraw/zinc/32/00/27/385320027.db2.gz BQUPIHOPTOZZFH-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(F)ccc1F ZINC000191709431 385320031 /nfs/dbraw/zinc/32/00/31/385320031.db2.gz BQUPIHOPTOZZFH-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO CC[C@](C)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000308969146 385320392 /nfs/dbraw/zinc/32/03/92/385320392.db2.gz XXUMQOWERUOVHZ-NSHDSACASA-N 1 2 217.309 1.079 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000358507083 385260296 /nfs/dbraw/zinc/26/02/96/385260296.db2.gz KVKVPFGYWKMSAN-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000358507083 385260301 /nfs/dbraw/zinc/26/03/01/385260301.db2.gz KVKVPFGYWKMSAN-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO COC[C@H]([NH2+]Cc1cncn1C)c1ccco1 ZINC000177573847 385262696 /nfs/dbraw/zinc/26/26/96/385262696.db2.gz MLOPLIHHFUAWQX-NSHDSACASA-N 1 2 235.287 1.490 20 0 BDADLO C[C@H](CNC(=O)c1ccccn1)Cn1cc[nH+]c1 ZINC000153626526 385266676 /nfs/dbraw/zinc/26/66/76/385266676.db2.gz QWEXEZXRJNSXEA-LLVKDONJSA-N 1 2 244.298 1.344 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1CC(F)(F)C1 ZINC000407976176 385268422 /nfs/dbraw/zinc/26/84/22/385268422.db2.gz MRFVMSFKVNIVMK-UHFFFAOYSA-N 1 2 239.229 1.573 20 0 BDADLO C[NH+](C)Cc1nc(COc2ccccc2)no1 ZINC000190912789 385269719 /nfs/dbraw/zinc/26/97/19/385269719.db2.gz ARWLVYJJZDMCBE-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO C[C@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000120196131 385274868 /nfs/dbraw/zinc/27/48/68/385274868.db2.gz IFHHBRFRFCHOAZ-ZETCQYMHSA-N 1 2 218.260 1.005 20 0 BDADLO CCc1ccc([C@H]2COCC[N@@H+]2CCO)o1 ZINC000177735750 385279337 /nfs/dbraw/zinc/27/93/37/385279337.db2.gz IYZBBPSLWUAPMG-LLVKDONJSA-N 1 2 225.288 1.208 20 0 BDADLO CCc1ccc([C@H]2COCC[N@H+]2CCO)o1 ZINC000177735750 385279344 /nfs/dbraw/zinc/27/93/44/385279344.db2.gz IYZBBPSLWUAPMG-LLVKDONJSA-N 1 2 225.288 1.208 20 0 BDADLO COC(=O)[C@@H](CC(F)(F)F)[NH2+]CC(C)C ZINC000308906844 385281570 /nfs/dbraw/zinc/28/15/70/385281570.db2.gz CUAFEKJPVJNYNF-SSDOTTSWSA-N 1 2 227.226 1.726 20 0 BDADLO C[C@H](CCCO)CNc1nc[nH+]c(N)c1Cl ZINC000294875955 385285751 /nfs/dbraw/zinc/28/57/51/385285751.db2.gz DSJHOOWLYCRGID-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@H](CCCO)CNc1[nH+]cnc(N)c1Cl ZINC000294875955 385285759 /nfs/dbraw/zinc/28/57/59/385285759.db2.gz DSJHOOWLYCRGID-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cccc(C)n1)C1CC1 ZINC000360617054 385288387 /nfs/dbraw/zinc/28/83/87/385288387.db2.gz DPAATLKNYFBHAQ-ZDUSSCGKSA-N 1 2 248.326 1.474 20 0 BDADLO CCC[C@@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000177867758 385297886 /nfs/dbraw/zinc/29/78/86/385297886.db2.gz XUQQJZGOOFRHBF-LLVKDONJSA-N 1 2 247.298 1.225 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1ccccn1 ZINC000308989924 385333614 /nfs/dbraw/zinc/33/36/14/385333614.db2.gz NIJUMKDHHGLNLU-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000131576848 385344695 /nfs/dbraw/zinc/34/46/95/385344695.db2.gz SCVADRITGCFICF-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000131576848 385344699 /nfs/dbraw/zinc/34/46/99/385344699.db2.gz SCVADRITGCFICF-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000408457122 385347251 /nfs/dbraw/zinc/34/72/51/385347251.db2.gz NVPFOAIFLMMSBM-GFCCVEGCSA-N 1 2 235.331 1.521 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000408457122 385347256 /nfs/dbraw/zinc/34/72/56/385347256.db2.gz NVPFOAIFLMMSBM-GFCCVEGCSA-N 1 2 235.331 1.521 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1cocn1 ZINC000154883584 385361769 /nfs/dbraw/zinc/36/17/69/385361769.db2.gz VHZUWCUSMHULGJ-UHFFFAOYSA-N 1 2 234.259 1.033 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CC1CC1 ZINC000155033254 385371524 /nfs/dbraw/zinc/37/15/24/385371524.db2.gz LHIFJKWEBNIYET-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO C[C@H](O)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000192805997 385371860 /nfs/dbraw/zinc/37/18/60/385371860.db2.gz PFGIXNZITLFHQO-DTWKUNHWSA-N 1 2 244.385 1.614 20 0 BDADLO C[C@H](O)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000192805997 385371861 /nfs/dbraw/zinc/37/18/61/385371861.db2.gz PFGIXNZITLFHQO-DTWKUNHWSA-N 1 2 244.385 1.614 20 0 BDADLO CSCC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408007046 385378460 /nfs/dbraw/zinc/37/84/60/385378460.db2.gz BHLJUMHTDRNBGK-MRVPVSSYSA-N 1 2 243.332 1.318 20 0 BDADLO CSCC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408007046 385378462 /nfs/dbraw/zinc/37/84/62/385378462.db2.gz BHLJUMHTDRNBGK-MRVPVSSYSA-N 1 2 243.332 1.318 20 0 BDADLO O=C1C[N@H+](Cc2cc3ccccc3o2)CCN1 ZINC000178508797 385384086 /nfs/dbraw/zinc/38/40/86/385384086.db2.gz XQWIVNBCZYAPPL-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO O=C1C[N@@H+](Cc2cc3ccccc3o2)CCN1 ZINC000178508797 385384089 /nfs/dbraw/zinc/38/40/89/385384089.db2.gz XQWIVNBCZYAPPL-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO Cc1ccc(NC(=O)C(=O)NCC2CC2)c(C)[nH+]1 ZINC000154459333 385327862 /nfs/dbraw/zinc/32/78/62/385327862.db2.gz XTUCXXKYHIRNFA-UHFFFAOYSA-N 1 2 247.298 1.163 20 0 BDADLO CCC[C@](C)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000309067501 385392680 /nfs/dbraw/zinc/39/26/80/385392680.db2.gz AGMFICZUNSDJDR-KOLCDFICSA-N 1 2 217.309 1.079 20 0 BDADLO COC(=O)C1(NCc2c[nH+]c[nH]2)CCCCC1 ZINC000193385009 385394030 /nfs/dbraw/zinc/39/40/30/385394030.db2.gz UMUYEKRROGGXOR-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO COC(=O)C1(NCc2c[nH]c[nH+]2)CCCCC1 ZINC000193385009 385394032 /nfs/dbraw/zinc/39/40/32/385394032.db2.gz UMUYEKRROGGXOR-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO CC(C)C1(C)CC[NH+](Cc2nnn(C)n2)CC1 ZINC000193487907 385398231 /nfs/dbraw/zinc/39/82/31/385398231.db2.gz BEPBDQFUHNUKIZ-UHFFFAOYSA-N 1 2 237.351 1.468 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000364396230 385410764 /nfs/dbraw/zinc/41/07/64/385410764.db2.gz CJAWOJOHCXJBRW-QWRGUYRKSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000364396231 385410921 /nfs/dbraw/zinc/41/09/21/385410921.db2.gz CJAWOJOHCXJBRW-WDEREUQCSA-N 1 2 249.358 1.996 20 0 BDADLO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)ccc1C ZINC000193821186 385412514 /nfs/dbraw/zinc/41/25/14/385412514.db2.gz NDUZEYZZDWDUPI-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C[N@H+]2CCNC(=O)[C@H]2C)ccc1C ZINC000193821186 385412521 /nfs/dbraw/zinc/41/25/21/385412521.db2.gz NDUZEYZZDWDUPI-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763015 385426492 /nfs/dbraw/zinc/42/64/92/385426492.db2.gz IQFXKPYMAJGYBH-QRGHLMKCSA-N 1 2 219.288 1.824 20 0 BDADLO CC(=O)c1ccc(N2CC[NH+](C3CC3)CC2)nc1 ZINC000178880489 385423101 /nfs/dbraw/zinc/42/31/01/385423101.db2.gz VNTJLMACIWUVAA-UHFFFAOYSA-N 1 2 245.326 1.569 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccc(C(N)=O)c2)[C@H]1C ZINC000156180341 385440384 /nfs/dbraw/zinc/44/03/84/385440384.db2.gz HZMIIOVKJWVQDM-WDEREUQCSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccc(C(N)=O)c2)[C@H]1C ZINC000156180341 385440386 /nfs/dbraw/zinc/44/03/86/385440386.db2.gz HZMIIOVKJWVQDM-WDEREUQCSA-N 1 2 248.326 1.395 20 0 BDADLO C/C=C(\CC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000364437128 385440790 /nfs/dbraw/zinc/44/07/90/385440790.db2.gz ZFLQQFWZZPGOLZ-NYYWCZLTSA-N 1 2 233.315 1.890 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC000194589203 385440921 /nfs/dbraw/zinc/44/09/21/385440921.db2.gz SGRVBMVZLRFXSN-UHFFFAOYSA-N 1 2 249.314 1.323 20 0 BDADLO C=Cn1cc(C[N@H+]2CCCC3(C2)OCCO3)cn1 ZINC000194589203 385440924 /nfs/dbraw/zinc/44/09/24/385440924.db2.gz SGRVBMVZLRFXSN-UHFFFAOYSA-N 1 2 249.314 1.323 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)C(=O)OC)[C@H]1CCCO1 ZINC000182361390 385442463 /nfs/dbraw/zinc/44/24/63/385442463.db2.gz GPRKURVCXBXOPO-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000170860633 385451199 /nfs/dbraw/zinc/45/11/99/385451199.db2.gz FSQLDKIGAZABSF-SECBINFHSA-N 1 2 229.283 1.863 20 0 BDADLO COc1nccnc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000449042707 385451323 /nfs/dbraw/zinc/45/13/23/385451323.db2.gz UFAZFZXGULNRJJ-LLVKDONJSA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccnc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000449042707 385451329 /nfs/dbraw/zinc/45/13/29/385451329.db2.gz UFAZFZXGULNRJJ-LLVKDONJSA-N 1 2 225.267 1.419 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(C)on1 ZINC000281919305 385458262 /nfs/dbraw/zinc/45/82/62/385458262.db2.gz AJRYEVZDQSOJFE-SECBINFHSA-N 1 2 225.292 1.112 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492867586 385455212 /nfs/dbraw/zinc/45/52/12/385455212.db2.gz RTTDPRDNSGDTEQ-KWKBKKAHSA-N 1 2 233.315 1.975 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc(Cl)cs1 ZINC000194309488 385429323 /nfs/dbraw/zinc/42/93/23/385429323.db2.gz QLRCENHKOAHGCW-UHFFFAOYSA-N 1 2 246.763 1.922 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Cl)cs1 ZINC000194309488 385429325 /nfs/dbraw/zinc/42/93/25/385429325.db2.gz QLRCENHKOAHGCW-UHFFFAOYSA-N 1 2 246.763 1.922 20 0 BDADLO CN(C)c1cccc(C[NH2+]Cc2ncc[nH]2)n1 ZINC000179031656 385435106 /nfs/dbraw/zinc/43/51/06/385435106.db2.gz NWYHFVOJGIJKSO-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO Cn1nnc(C[N@H+](C)CCCc2ccccc2)n1 ZINC000194449396 385435558 /nfs/dbraw/zinc/43/55/58/385435558.db2.gz FPVDAIIWIPEAKC-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO Cn1nnc(C[N@@H+](C)CCCc2ccccc2)n1 ZINC000194449396 385435561 /nfs/dbraw/zinc/43/55/61/385435561.db2.gz FPVDAIIWIPEAKC-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO COC(=O)CCC1=CSC2=[NH+]CCN12 ZINC000195231340 385464630 /nfs/dbraw/zinc/46/46/30/385464630.db2.gz SQLXDSKKIXACFU-UHFFFAOYSA-N 1 2 212.274 1.199 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccncc2)C1 ZINC000157117587 385487937 /nfs/dbraw/zinc/48/79/37/385487937.db2.gz SXJXEFZPIQGXGY-LBPRGKRZSA-N 1 2 238.262 1.169 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccncc2)C1 ZINC000157117587 385487943 /nfs/dbraw/zinc/48/79/43/385487943.db2.gz SXJXEFZPIQGXGY-LBPRGKRZSA-N 1 2 238.262 1.169 20 0 BDADLO CCC[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OCC ZINC000182660596 385467150 /nfs/dbraw/zinc/46/71/50/385467150.db2.gz PZAMZGUWAXUNMT-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCOCC1 ZINC000182710506 385468903 /nfs/dbraw/zinc/46/89/03/385468903.db2.gz MERXLLQEPUEUCI-VIFPVBQESA-N 1 2 247.302 1.344 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccc(N)cn1 ZINC000156874094 385470314 /nfs/dbraw/zinc/47/03/14/385470314.db2.gz LNFPBYDLZIOANN-UHFFFAOYSA-N 1 2 228.255 1.620 20 0 BDADLO Cc1nc(C2(NCc3c[nH+]c[nH]3)CCCC2)no1 ZINC000171133982 385470283 /nfs/dbraw/zinc/47/02/83/385470283.db2.gz PNKFWVUXBVQDIK-UHFFFAOYSA-N 1 2 247.302 1.660 20 0 BDADLO Cc1nc(C2(NCc3c[nH]c[nH+]3)CCCC2)no1 ZINC000171133982 385470285 /nfs/dbraw/zinc/47/02/85/385470285.db2.gz PNKFWVUXBVQDIK-UHFFFAOYSA-N 1 2 247.302 1.660 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)on1 ZINC000109891112 385490785 /nfs/dbraw/zinc/49/07/85/385490785.db2.gz NNZYVTWLXBVWQY-UHFFFAOYSA-N 1 2 219.200 1.336 20 0 BDADLO COC[C@@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000179855631 385494148 /nfs/dbraw/zinc/49/41/48/385494148.db2.gz VATDBDVZGMINBQ-VIFPVBQESA-N 1 2 237.303 1.794 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ncnn2C)cc1 ZINC000157353316 385498377 /nfs/dbraw/zinc/49/83/77/385498377.db2.gz XBOVHMDMIQVYDD-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ncnn2C)cc1 ZINC000157353316 385498382 /nfs/dbraw/zinc/49/83/82/385498382.db2.gz XBOVHMDMIQVYDD-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO c1cc(C[NH+]2CCN(c3ccccc3)CC2)n[nH]1 ZINC000157538104 385507927 /nfs/dbraw/zinc/50/79/27/385507927.db2.gz XYTKUCYJCVHNIC-UHFFFAOYSA-N 1 2 242.326 1.732 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000364760001 385511651 /nfs/dbraw/zinc/51/16/51/385511651.db2.gz GDAXMHMDPBXHGU-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000364760001 385511653 /nfs/dbraw/zinc/51/16/53/385511653.db2.gz GDAXMHMDPBXHGU-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc2nccn21 ZINC000180257025 385515706 /nfs/dbraw/zinc/51/57/06/385515706.db2.gz VWIPABBANOAIFS-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc2nccn21 ZINC000180257025 385515710 /nfs/dbraw/zinc/51/57/10/385515710.db2.gz VWIPABBANOAIFS-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1Cc1cccc2[nH+]ccn21 ZINC000180257025 385515712 /nfs/dbraw/zinc/51/57/12/385515712.db2.gz VWIPABBANOAIFS-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N1Cc2ccccc2C1 ZINC000180626205 385534635 /nfs/dbraw/zinc/53/46/35/385534635.db2.gz DNQIRZBUMCODFT-ZDUSSCGKSA-N 1 2 246.354 1.723 20 0 BDADLO FC(F)COCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000364892222 385536359 /nfs/dbraw/zinc/53/63/59/385536359.db2.gz FSQOEQNEJPRLLB-VIFPVBQESA-N 1 2 245.273 1.828 20 0 BDADLO FC(F)COCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000364892222 385536361 /nfs/dbraw/zinc/53/63/61/385536361.db2.gz FSQOEQNEJPRLLB-VIFPVBQESA-N 1 2 245.273 1.828 20 0 BDADLO Cc1ccoc1CNC(=O)CCCn1cc[nH+]c1 ZINC000644812974 385538232 /nfs/dbraw/zinc/53/82/32/385538232.db2.gz RCBNVNDZWPPYMB-UHFFFAOYSA-N 1 2 247.298 1.881 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CC12CC2 ZINC000493163282 385539896 /nfs/dbraw/zinc/53/98/96/385539896.db2.gz UJAGPOHLPXVUTC-XOULXFPDSA-N 1 2 231.299 1.585 20 0 BDADLO CO[C@H](C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000171822232 385520500 /nfs/dbraw/zinc/52/05/00/385520500.db2.gz IOZOSYQEAPXUEK-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO Cc1nc(N(C)CCc2nccs2)cc[nH+]1 ZINC000157801974 385522699 /nfs/dbraw/zinc/52/26/99/385522699.db2.gz JUHAVQZXPWHAOM-UHFFFAOYSA-N 1 2 234.328 1.920 20 0 BDADLO c1cn(CCCSc2nncs2)c[nH+]1 ZINC000180430953 385522857 /nfs/dbraw/zinc/52/28/57/385522857.db2.gz OGNUMFWDFBWARF-UHFFFAOYSA-N 1 2 226.330 1.917 20 0 BDADLO COC[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000172123254 385552370 /nfs/dbraw/zinc/55/23/70/385552370.db2.gz LFEQOULDSONDKD-ZDUSSCGKSA-N 1 2 231.299 1.887 20 0 BDADLO COC[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000172123254 385552373 /nfs/dbraw/zinc/55/23/73/385552373.db2.gz LFEQOULDSONDKD-ZDUSSCGKSA-N 1 2 231.299 1.887 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccn(C)c(=O)c1 ZINC000107287005 385562797 /nfs/dbraw/zinc/56/27/97/385562797.db2.gz RELPTJJPGOEWKD-UHFFFAOYSA-N 1 2 243.266 1.341 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOC(C)(C)C)n1 ZINC000309467700 385596889 /nfs/dbraw/zinc/59/68/89/385596889.db2.gz QIRUVUMAHIBSCK-QMMMGPOBSA-N 1 2 227.308 1.844 20 0 BDADLO CC(C)COCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000337331956 385600549 /nfs/dbraw/zinc/60/05/49/385600549.db2.gz IWRAAXPYEMTTKD-UHFFFAOYSA-N 1 2 245.363 1.933 20 0 BDADLO CC(C)COCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000337331956 385600554 /nfs/dbraw/zinc/60/05/54/385600554.db2.gz IWRAAXPYEMTTKD-UHFFFAOYSA-N 1 2 245.363 1.933 20 0 BDADLO COC(=O)[C@@]1([NH2+]CC2CCCC2)CCOC1 ZINC000309433086 385580372 /nfs/dbraw/zinc/58/03/72/385580372.db2.gz GRABBDMCWGSJRX-GFCCVEGCSA-N 1 2 227.304 1.098 20 0 BDADLO C[C@@H](O)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280899865 385616928 /nfs/dbraw/zinc/61/69/28/385616928.db2.gz DUUCZWCLJNPMSG-SECBINFHSA-N 1 2 248.286 1.227 20 0 BDADLO COC(=O)C[N@H+](Cc1cnccc1C)C(C)C ZINC000269667164 385620042 /nfs/dbraw/zinc/62/00/42/385620042.db2.gz ZEYXZFSEUOWFGZ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1cnccc1C)C(C)C ZINC000269667164 385620044 /nfs/dbraw/zinc/62/00/44/385620044.db2.gz ZEYXZFSEUOWFGZ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269693087 385626202 /nfs/dbraw/zinc/62/62/02/385626202.db2.gz GGFYOFUZUOOLAO-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO CSCCONC(=O)Nc1cc[nH+]c(C)c1 ZINC000281028935 385628368 /nfs/dbraw/zinc/62/83/68/385628368.db2.gz MYMACJYMVGEKMY-UHFFFAOYSA-N 1 2 241.316 1.806 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nccn1C(F)F ZINC000182055055 385633670 /nfs/dbraw/zinc/63/36/70/385633670.db2.gz CMAYANAFPFILBG-QMMMGPOBSA-N 1 2 233.262 1.745 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nccn1C(F)F ZINC000182055055 385633679 /nfs/dbraw/zinc/63/36/79/385633679.db2.gz CMAYANAFPFILBG-QMMMGPOBSA-N 1 2 233.262 1.745 20 0 BDADLO C[C@@H]1C[C@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000334693551 385608149 /nfs/dbraw/zinc/60/81/49/385608149.db2.gz GFGFVUMVWDIYET-HTQZYQBOSA-N 1 2 204.233 1.438 20 0 BDADLO C[C@H](F)CC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307047795 385651121 /nfs/dbraw/zinc/65/11/21/385651121.db2.gz BMYATHFNFBLGGB-MWODSPESSA-N 1 2 207.314 1.187 20 0 BDADLO C[C@H](F)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000307047795 385651126 /nfs/dbraw/zinc/65/11/26/385651126.db2.gz BMYATHFNFBLGGB-MWODSPESSA-N 1 2 207.314 1.187 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCOC(C)(C)C2)c[nH+]1 ZINC000270061918 385663782 /nfs/dbraw/zinc/66/37/82/385663782.db2.gz KGIMQQPYMHYKPK-VIFPVBQESA-N 1 2 237.303 1.406 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000353339867 385671916 /nfs/dbraw/zinc/67/19/16/385671916.db2.gz XNGMWGQLGIONTH-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408458442 385717020 /nfs/dbraw/zinc/71/70/20/385717020.db2.gz UGDTVDJVXNTLCF-BDAKNGLRSA-N 1 2 243.282 1.703 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408458442 385717026 /nfs/dbraw/zinc/71/70/26/385717026.db2.gz UGDTVDJVXNTLCF-BDAKNGLRSA-N 1 2 243.282 1.703 20 0 BDADLO C[C@H](O)CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270255808 385688978 /nfs/dbraw/zinc/68/89/78/385688978.db2.gz WDHXMDVIRPSWON-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO C[C@H](O)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270255808 385688984 /nfs/dbraw/zinc/68/89/84/385688984.db2.gz WDHXMDVIRPSWON-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO CC(C)(O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000281717072 385695623 /nfs/dbraw/zinc/69/56/23/385695623.db2.gz WNIVTJPFLIGUHA-UHFFFAOYSA-N 1 2 247.298 1.112 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000525836649 385704350 /nfs/dbraw/zinc/70/43/50/385704350.db2.gz ZDNROBYRPBIFAC-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCOCC23CCCC3)n1 ZINC000270690756 385729582 /nfs/dbraw/zinc/72/95/82/385729582.db2.gz WCXSYZMEEAGWHE-UHFFFAOYSA-N 1 2 248.330 1.204 20 0 BDADLO Nc1ccnc(C[N@H+]2CCOCC23CCCC3)n1 ZINC000270690756 385729591 /nfs/dbraw/zinc/72/95/91/385729591.db2.gz WCXSYZMEEAGWHE-UHFFFAOYSA-N 1 2 248.330 1.204 20 0 BDADLO C[N@H+](CCCO)Cc1ncc(C2CC2)o1 ZINC000270698919 385730515 /nfs/dbraw/zinc/73/05/15/385730515.db2.gz ZVSKOTOVMCKXSK-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO C[N@@H+](CCCO)Cc1ncc(C2CC2)o1 ZINC000270698919 385730518 /nfs/dbraw/zinc/73/05/18/385730518.db2.gz ZVSKOTOVMCKXSK-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000408375764 385741939 /nfs/dbraw/zinc/74/19/39/385741939.db2.gz PUJAXIQZLZUNIO-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000408375764 385741947 /nfs/dbraw/zinc/74/19/47/385741947.db2.gz PUJAXIQZLZUNIO-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1noc(C(C)C)n1 ZINC000336695074 385744096 /nfs/dbraw/zinc/74/40/96/385744096.db2.gz IKUZHNOFDTZDJR-SNVBAGLBSA-N 1 2 241.335 1.786 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1noc(C(C)C)n1 ZINC000336695074 385744102 /nfs/dbraw/zinc/74/41/02/385744102.db2.gz IKUZHNOFDTZDJR-SNVBAGLBSA-N 1 2 241.335 1.786 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCOC2(C)C)no1 ZINC000451237957 385748127 /nfs/dbraw/zinc/74/81/27/385748127.db2.gz SGNNCRJFVXNGLF-QMMMGPOBSA-N 1 2 225.292 1.289 20 0 BDADLO C[C@H](CNC(=O)C(C)(C)F)Cn1cc[nH+]c1 ZINC000271116470 385786777 /nfs/dbraw/zinc/78/67/77/385786777.db2.gz DLJIMCCJVQIFPH-SECBINFHSA-N 1 2 227.283 1.384 20 0 BDADLO CON(Cc1c[nH+]c[nH]1)CC1CCOCC1 ZINC000282411297 385758879 /nfs/dbraw/zinc/75/88/79/385758879.db2.gz GDUHWXZDMHFZSG-UHFFFAOYSA-N 1 2 225.292 1.200 20 0 BDADLO CON(Cc1c[nH]c[nH+]1)CC1CCOCC1 ZINC000282411297 385758885 /nfs/dbraw/zinc/75/88/85/385758885.db2.gz GDUHWXZDMHFZSG-UHFFFAOYSA-N 1 2 225.292 1.200 20 0 BDADLO Cc1cnc(N(C)Cc2[nH+]ccn2C)nc1 ZINC000270917914 385760561 /nfs/dbraw/zinc/76/05/61/385760561.db2.gz IOEKVJPPOJUTPN-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO CON(Cc1c[nH+]cn1C)CC1CCOCC1 ZINC000282460808 385764607 /nfs/dbraw/zinc/76/46/07/385764607.db2.gz KEZQFROLXKYYHI-UHFFFAOYSA-N 1 2 239.319 1.210 20 0 BDADLO CN(C)c1ncc(C[N@H+](C)Cc2ccco2)cn1 ZINC000271020325 385772689 /nfs/dbraw/zinc/77/26/89/385772689.db2.gz BXFGBLAEWYLZCD-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1ncc(C[N@@H+](C)Cc2ccco2)cn1 ZINC000271020325 385772690 /nfs/dbraw/zinc/77/26/90/385772690.db2.gz BXFGBLAEWYLZCD-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CC[C@@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000336703256 385773034 /nfs/dbraw/zinc/77/30/34/385773034.db2.gz ZLCAPTMIHCMOML-MRVPVSSYSA-N 1 2 217.334 1.423 20 0 BDADLO FC(F)C(F)(F)COCC[NH+]1CCOCC1 ZINC000188574497 385775315 /nfs/dbraw/zinc/77/53/15/385775315.db2.gz YKLKUIQKRASIIT-UHFFFAOYSA-N 1 2 245.216 1.236 20 0 BDADLO C[C@@H](O)C[N@H+](CCc1ccncc1)CC(F)F ZINC000451856443 385775402 /nfs/dbraw/zinc/77/54/02/385775402.db2.gz UKLAWFDMBYYGSL-SNVBAGLBSA-N 1 2 244.285 1.572 20 0 BDADLO C[C@@H](O)C[N@@H+](CCc1ccncc1)CC(F)F ZINC000451856443 385775407 /nfs/dbraw/zinc/77/54/07/385775407.db2.gz UKLAWFDMBYYGSL-SNVBAGLBSA-N 1 2 244.285 1.572 20 0 BDADLO c1nc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cs1 ZINC000309656688 385777361 /nfs/dbraw/zinc/77/73/61/385777361.db2.gz ZOANUJFGHFWTRA-SECBINFHSA-N 1 2 234.328 1.513 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)CC1CCC1 ZINC000282706488 385780790 /nfs/dbraw/zinc/78/07/90/385780790.db2.gz GHJWQAUSIJYHSI-ZYOFXKKJSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ncn(C)n1 ZINC000309591731 385721062 /nfs/dbraw/zinc/72/10/62/385721062.db2.gz VAPNTJRWTKMBPX-VHSXEESVSA-N 1 2 224.308 1.035 20 0 BDADLO Cn1ccc(C[NH2+]Cc2c(Cl)cnn2C)n1 ZINC000336711958 385802196 /nfs/dbraw/zinc/80/21/96/385802196.db2.gz SLXJFVVEQCFLBJ-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1cnccn1 ZINC000571601202 385805145 /nfs/dbraw/zinc/80/51/45/385805145.db2.gz IQYBCYFKROISJL-LLVKDONJSA-N 1 2 229.287 1.367 20 0 BDADLO c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1cnccn1 ZINC000571601202 385805149 /nfs/dbraw/zinc/80/51/49/385805149.db2.gz IQYBCYFKROISJL-LLVKDONJSA-N 1 2 229.287 1.367 20 0 BDADLO Cn1cnc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)ccc21 ZINC000644838981 385857057 /nfs/dbraw/zinc/85/70/57/385857057.db2.gz VNUSYHXTCMCNHJ-UONOGXRCSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cnc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]43)ccc21 ZINC000644838981 385857061 /nfs/dbraw/zinc/85/70/61/385857061.db2.gz VNUSYHXTCMCNHJ-UONOGXRCSA-N 1 2 243.310 1.546 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(F)c1 ZINC000186955478 385818850 /nfs/dbraw/zinc/81/88/50/385818850.db2.gz PKPGGBLQSDGTTJ-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(F)c1 ZINC000186955478 385818853 /nfs/dbraw/zinc/81/88/53/385818853.db2.gz PKPGGBLQSDGTTJ-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO Cc1[nH]c(C=O)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000283418337 385819459 /nfs/dbraw/zinc/81/94/59/385819459.db2.gz MAROATDGQSNGLZ-UHFFFAOYSA-N 1 2 246.270 1.097 20 0 BDADLO CC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283444798 385819758 /nfs/dbraw/zinc/81/97/58/385819758.db2.gz KFBBDXRYVCRCKI-SNAWJCMRSA-N 1 2 207.277 1.585 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000602772858 385820439 /nfs/dbraw/zinc/82/04/39/385820439.db2.gz LXIZSTNNAKDBMI-UHFFFAOYSA-N 1 2 238.287 1.219 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H]2CCOC2)s1 ZINC000271443080 385829217 /nfs/dbraw/zinc/82/92/17/385829217.db2.gz SIOHJPDWBBSLBB-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H]2CCOC2)s1 ZINC000271443080 385829221 /nfs/dbraw/zinc/82/92/21/385829221.db2.gz SIOHJPDWBBSLBB-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1cnn(C)c1 ZINC000271473001 385832629 /nfs/dbraw/zinc/83/26/29/385832629.db2.gz JDSVFUOXEHMVCB-LBPRGKRZSA-N 1 2 233.319 1.693 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccco1 ZINC000112339150 385838527 /nfs/dbraw/zinc/83/85/27/385838527.db2.gz QZHVNGOPKBMUID-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO c1cc(C[NH2+]Cc2cn3ccccc3n2)n[nH]1 ZINC000112355527 385841162 /nfs/dbraw/zinc/84/11/62/385841162.db2.gz SOOBONZZTBZQOP-UHFFFAOYSA-N 1 2 227.271 1.347 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCC(F)(F)F ZINC000283955062 385841526 /nfs/dbraw/zinc/84/15/26/385841526.db2.gz LKUYULRYHFRECD-NSCUHMNNSA-N 1 2 247.220 1.882 20 0 BDADLO Cc1c[nH+]ccc1NS(=O)(=O)c1cccnc1 ZINC000112496645 385845000 /nfs/dbraw/zinc/84/50/00/385845000.db2.gz FHGOGOHYMUZRJB-UHFFFAOYSA-N 1 2 249.295 1.586 20 0 BDADLO COCc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644837173 385847179 /nfs/dbraw/zinc/84/71/79/385847179.db2.gz HGXBIFBHIAHGCC-KGLIPLIRSA-N 1 2 233.311 1.806 20 0 BDADLO COCc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644837173 385847183 /nfs/dbraw/zinc/84/71/83/385847183.db2.gz HGXBIFBHIAHGCC-KGLIPLIRSA-N 1 2 233.311 1.806 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000618874104 385853628 /nfs/dbraw/zinc/85/36/28/385853628.db2.gz KPIFOOVLGMVHAF-DGCLKSJQSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]([NH2+]CCF)c1ncc(Br)cn1 ZINC000308292577 385789262 /nfs/dbraw/zinc/78/92/62/385789262.db2.gz MFGKBLBIKKPGQA-ZCFIWIBFSA-N 1 2 248.099 1.859 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cnnn1CC ZINC000294020555 385790648 /nfs/dbraw/zinc/79/06/48/385790648.db2.gz DUTHWRIFBYOPFW-UHFFFAOYSA-N 1 2 245.286 1.508 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000271117818 385790830 /nfs/dbraw/zinc/79/08/30/385790830.db2.gz IBOXFGWNAGQCOC-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000271117818 385790834 /nfs/dbraw/zinc/79/08/34/385790834.db2.gz IBOXFGWNAGQCOC-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO CC(C)c1nsc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000647842669 385891901 /nfs/dbraw/zinc/89/19/01/385891901.db2.gz DIAHCJPLJGKZBR-UHFFFAOYSA-N 1 2 249.343 1.947 20 0 BDADLO Cc1cn2nc(N[C@H](C)c3[nH]cc[nH+]3)sc2n1 ZINC000647843264 385893615 /nfs/dbraw/zinc/89/36/15/385893615.db2.gz CSMVYBSIFUKAGL-SSDOTTSWSA-N 1 2 248.315 1.417 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccccc3F)[C@H]12 ZINC000366639851 385893800 /nfs/dbraw/zinc/89/38/00/385893800.db2.gz JCWJMCOVBFSVHH-GWCFXTLKSA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccccc3F)[C@H]12 ZINC000366639851 385893805 /nfs/dbraw/zinc/89/38/05/385893805.db2.gz JCWJMCOVBFSVHH-GWCFXTLKSA-N 1 2 249.285 1.963 20 0 BDADLO C[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647844535 385894732 /nfs/dbraw/zinc/89/47/32/385894732.db2.gz IUVFTPZDXFDWQK-VIFPVBQESA-N 1 2 234.303 1.517 20 0 BDADLO C[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647844535 385894735 /nfs/dbraw/zinc/89/47/35/385894735.db2.gz IUVFTPZDXFDWQK-VIFPVBQESA-N 1 2 234.303 1.517 20 0 BDADLO COC[C@H]1C[N@H+](Cc2conc2C)C[C@H](C)O1 ZINC000294812584 385899178 /nfs/dbraw/zinc/89/91/78/385899178.db2.gz WVCBTPLDFIPFAE-JOYOIKCWSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2conc2C)C[C@H](C)O1 ZINC000294812584 385899183 /nfs/dbraw/zinc/89/91/83/385899183.db2.gz WVCBTPLDFIPFAE-JOYOIKCWSA-N 1 2 240.303 1.219 20 0 BDADLO CCC[C@H](C)N(C)c1nc(C)[nH+]c(N)n1 ZINC000308889344 385904191 /nfs/dbraw/zinc/90/41/91/385904191.db2.gz QRQRAUMJELQBNJ-ZETCQYMHSA-N 1 2 209.297 1.387 20 0 BDADLO CCC[C@H](C)N(C)c1nc(N)nc(C)[nH+]1 ZINC000308889344 385904193 /nfs/dbraw/zinc/90/41/93/385904193.db2.gz QRQRAUMJELQBNJ-ZETCQYMHSA-N 1 2 209.297 1.387 20 0 BDADLO C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338166642 385906429 /nfs/dbraw/zinc/90/64/29/385906429.db2.gz SIIRZXVWMYUWMT-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](O)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000272480600 385907549 /nfs/dbraw/zinc/90/75/49/385907549.db2.gz OKICWYPUJHAACT-MNOVXSKESA-N 1 2 243.310 1.837 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356038761 385912737 /nfs/dbraw/zinc/91/27/37/385912737.db2.gz UQDWBKMHUWDIKL-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356038761 385912742 /nfs/dbraw/zinc/91/27/42/385912742.db2.gz UQDWBKMHUWDIKL-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2ncc(Cl)n2C)C1 ZINC000285346488 385918160 /nfs/dbraw/zinc/91/81/60/385918160.db2.gz KXRJDNXFDNQYQI-DTORHVGOSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(Cl)n2C)C1 ZINC000285346488 385918163 /nfs/dbraw/zinc/91/81/63/385918163.db2.gz KXRJDNXFDNQYQI-DTORHVGOSA-N 1 2 243.738 1.683 20 0 BDADLO c1ccc(NCc2nnc(C3CC3)[nH]2)[nH+]c1 ZINC000294924370 385919541 /nfs/dbraw/zinc/91/95/41/385919541.db2.gz JNDSKKKIBHQMEG-UHFFFAOYSA-N 1 2 215.260 1.689 20 0 BDADLO COC(=O)[C@H](C)NCc1c[nH+]c2cccc(C)n12 ZINC000355125674 385921785 /nfs/dbraw/zinc/92/17/85/385921785.db2.gz DFBNXVUMDNANAO-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO Cn1cc(C[NH+]2CCC(C(F)(F)F)CC2)nn1 ZINC000335033961 385923505 /nfs/dbraw/zinc/92/35/05/385923505.db2.gz VMOJXXJJNHLXFX-UHFFFAOYSA-N 1 2 248.252 1.589 20 0 BDADLO COC1(C(=O)Nc2cc[nH+]cc2C)CCC1 ZINC000272707963 385925127 /nfs/dbraw/zinc/92/51/27/385925127.db2.gz HUNHVZGREMNPBN-UHFFFAOYSA-N 1 2 220.272 1.898 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccncc1F ZINC000337951522 385859545 /nfs/dbraw/zinc/85/95/45/385859545.db2.gz QVBBEIQAFBFFCH-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+](C)[C@H](C)CO)cs1 ZINC000284354221 385863973 /nfs/dbraw/zinc/86/39/73/385863973.db2.gz DABDGFLAGATHGI-BDAKNGLRSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+](C)[C@H](C)CO)cs1 ZINC000284354221 385863978 /nfs/dbraw/zinc/86/39/78/385863978.db2.gz DABDGFLAGATHGI-BDAKNGLRSA-N 1 2 244.360 1.663 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@@H]3C2)o1 ZINC000365939801 385865070 /nfs/dbraw/zinc/86/50/70/385865070.db2.gz CXRQVHQUXNSNIS-LLVKDONJSA-N 1 2 249.314 1.140 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)o1 ZINC000365939801 385865074 /nfs/dbraw/zinc/86/50/74/385865074.db2.gz CXRQVHQUXNSNIS-LLVKDONJSA-N 1 2 249.314 1.140 20 0 BDADLO CCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340472216 385867145 /nfs/dbraw/zinc/86/71/45/385867145.db2.gz GZJBVOIZFMUOMV-LLVKDONJSA-N 1 2 231.303 1.679 20 0 BDADLO CCC(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736067 385878062 /nfs/dbraw/zinc/87/80/62/385878062.db2.gz YXZWTFRZTMFCEC-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO CCC(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736067 385878067 /nfs/dbraw/zinc/87/80/67/385878067.db2.gz YXZWTFRZTMFCEC-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335018390 385978028 /nfs/dbraw/zinc/97/80/28/385978028.db2.gz HHVDHACFOSYRIH-KBPBESRZSA-N 1 2 239.407 1.720 20 0 BDADLO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccn(C)n1 ZINC000414132476 385979185 /nfs/dbraw/zinc/97/91/85/385979185.db2.gz MMHNQDMKVGKDFV-LLVKDONJSA-N 1 2 236.363 1.555 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295140554 385979666 /nfs/dbraw/zinc/97/96/66/385979666.db2.gz ZSOZHLKVMHDBKI-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295140554 385979669 /nfs/dbraw/zinc/97/96/69/385979669.db2.gz ZSOZHLKVMHDBKI-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2CCC(C)(O)CC2)o1 ZINC000408278173 385931419 /nfs/dbraw/zinc/93/14/19/385931419.db2.gz SLSCAUFULMEQIO-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2(O)CCCC2)c[nH+]1 ZINC000335046589 385940601 /nfs/dbraw/zinc/94/06/01/385940601.db2.gz YMMSFLHICBVFTB-UHFFFAOYSA-N 1 2 248.326 1.620 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295011757 385941088 /nfs/dbraw/zinc/94/10/88/385941088.db2.gz MCYDMFDUJPQQBL-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295011757 385941093 /nfs/dbraw/zinc/94/10/93/385941093.db2.gz MCYDMFDUJPQQBL-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO CCC[C@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000233382689 385946390 /nfs/dbraw/zinc/94/63/90/385946390.db2.gz YXFQKHQASCIEFH-JTQLQIEISA-N 1 2 244.726 1.675 20 0 BDADLO CCC[C@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000233382689 385946395 /nfs/dbraw/zinc/94/63/95/385946395.db2.gz YXFQKHQASCIEFH-JTQLQIEISA-N 1 2 244.726 1.675 20 0 BDADLO Cn1c[nH+]cc1CNc1cc2n(n1)CCCC2 ZINC000285600457 385947013 /nfs/dbraw/zinc/94/70/13/385947013.db2.gz WPAMLUFBRAUJKG-UHFFFAOYSA-N 1 2 231.303 1.565 20 0 BDADLO CO[C@H](C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000342162186 385949920 /nfs/dbraw/zinc/94/99/20/385949920.db2.gz VIFAMSPZPVTMEL-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000123945032 385955574 /nfs/dbraw/zinc/95/55/74/385955574.db2.gz HWJGKFYQULCBSX-VIFPVBQESA-N 1 2 226.301 1.281 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000123945032 385955582 /nfs/dbraw/zinc/95/55/82/385955582.db2.gz HWJGKFYQULCBSX-VIFPVBQESA-N 1 2 226.301 1.281 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc(C)c1O ZINC000295076100 385959785 /nfs/dbraw/zinc/95/97/85/385959785.db2.gz RMMZSRTZDMFKTN-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc(C)c1O ZINC000295076100 385959791 /nfs/dbraw/zinc/95/97/91/385959791.db2.gz RMMZSRTZDMFKTN-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000345060102 385966192 /nfs/dbraw/zinc/96/61/92/385966192.db2.gz PTTOPSXLSRITBS-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO COCC[N@H+](CCSC(C)C)CC(=O)OC ZINC000338318742 385966446 /nfs/dbraw/zinc/96/64/46/385966446.db2.gz RHPHLTNIVBYJEL-UHFFFAOYSA-N 1 2 249.376 1.249 20 0 BDADLO COCC[N@@H+](CCSC(C)C)CC(=O)OC ZINC000338318742 385966457 /nfs/dbraw/zinc/96/64/57/385966457.db2.gz RHPHLTNIVBYJEL-UHFFFAOYSA-N 1 2 249.376 1.249 20 0 BDADLO CC[N@H+](CCCO)[C@@H](C)c1nnc(C)s1 ZINC000338321624 385967782 /nfs/dbraw/zinc/96/77/82/385967782.db2.gz ULAAOPXUQSNFSZ-QMMMGPOBSA-N 1 2 229.349 1.612 20 0 BDADLO CC[N@@H+](CCCO)[C@@H](C)c1nnc(C)s1 ZINC000338321624 385967786 /nfs/dbraw/zinc/96/77/86/385967786.db2.gz ULAAOPXUQSNFSZ-QMMMGPOBSA-N 1 2 229.349 1.612 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccc(O)c(F)c2)c[nH+]1 ZINC000335013844 385971035 /nfs/dbraw/zinc/97/10/35/385971035.db2.gz YBBUVLJZHLGROF-UHFFFAOYSA-N 1 2 249.245 1.493 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1ccccn1 ZINC000295121282 385972670 /nfs/dbraw/zinc/97/26/70/385972670.db2.gz IVKISUVSNSPXFT-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295121282 385972674 /nfs/dbraw/zinc/97/26/74/385972674.db2.gz IVKISUVSNSPXFT-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000285892768 385974233 /nfs/dbraw/zinc/97/42/33/385974233.db2.gz ZJPIAUDAVUEWIV-SECBINFHSA-N 1 2 239.319 1.211 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000285892768 385974244 /nfs/dbraw/zinc/97/42/44/385974244.db2.gz ZJPIAUDAVUEWIV-SECBINFHSA-N 1 2 239.319 1.211 20 0 BDADLO CCCc1cc(C(=O)NCc2[nH]c[nH+]c2C)no1 ZINC000295138747 385975101 /nfs/dbraw/zinc/97/51/01/385975101.db2.gz IVXDIEOYIKVGCT-UHFFFAOYSA-N 1 2 248.286 1.589 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000295258336 385998467 /nfs/dbraw/zinc/99/84/67/385998467.db2.gz GSYBOOGUGQEINH-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000295258336 385998473 /nfs/dbraw/zinc/99/84/73/385998473.db2.gz GSYBOOGUGQEINH-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO CC[C@@H](C)n1nc(NCc2c[nH+]cn2C)cc1C ZINC000345137569 386006587 /nfs/dbraw/zinc/00/65/87/386006587.db2.gz HAEADXHONNOXIJ-SNVBAGLBSA-N 1 2 247.346 1.930 20 0 BDADLO Fc1ccc(C[N@H+](C2CC2)C2COC2)nc1 ZINC000295319292 386011923 /nfs/dbraw/zinc/01/19/23/386011923.db2.gz GOBUNXHLJCTNRX-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1ccc(C[N@@H+](C2CC2)C2COC2)nc1 ZINC000295319292 386011927 /nfs/dbraw/zinc/01/19/27/386011927.db2.gz GOBUNXHLJCTNRX-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[C@H]1C ZINC000454958184 386012760 /nfs/dbraw/zinc/01/27/60/386012760.db2.gz LKVBNPTZUJELFC-ZJUUUORDSA-N 1 2 236.319 1.501 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC2(C)C)c[nH+]1 ZINC000335069194 386014715 /nfs/dbraw/zinc/01/47/15/386014715.db2.gz DCGWDODIUQPWQD-MRVPVSSYSA-N 1 2 207.277 1.494 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cccc[nH+]1 ZINC000286298226 386019539 /nfs/dbraw/zinc/01/95/39/386019539.db2.gz JJVLLMWGPKGKRF-FFNLUWKOSA-N 1 2 230.311 1.941 20 0 BDADLO CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ncc[nH]1 ZINC000356121172 386021968 /nfs/dbraw/zinc/02/19/68/386021968.db2.gz LZGKTJRANUZULG-VIFPVBQESA-N 1 2 247.302 1.333 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)[C@H](C)C1 ZINC000644880811 386022198 /nfs/dbraw/zinc/02/21/98/386022198.db2.gz VPYCMMMYZPEVPS-NXEZZACHSA-N 1 2 248.330 1.906 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)[C@H](C)C1 ZINC000644880811 386022204 /nfs/dbraw/zinc/02/22/04/386022204.db2.gz VPYCMMMYZPEVPS-NXEZZACHSA-N 1 2 248.330 1.906 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2Cc3cccc(C)c3O2)n1 ZINC000414638967 386022503 /nfs/dbraw/zinc/02/25/03/386022503.db2.gz FVGIKFFTVGAGKJ-JTQLQIEISA-N 1 2 245.282 1.774 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)o1 ZINC000295387238 386023686 /nfs/dbraw/zinc/02/36/86/386023686.db2.gz QNRMHXALCVWMLF-MNOVXSKESA-N 1 2 249.314 1.651 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)o1 ZINC000295387238 386023694 /nfs/dbraw/zinc/02/36/94/386023694.db2.gz QNRMHXALCVWMLF-MNOVXSKESA-N 1 2 249.314 1.651 20 0 BDADLO C[C@H]1CCN(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000334420446 386024131 /nfs/dbraw/zinc/02/41/31/386024131.db2.gz ZZCSUVDPYFIKPT-JTQLQIEISA-N 1 2 236.319 1.314 20 0 BDADLO NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000334422179 386028438 /nfs/dbraw/zinc/02/84/38/386028438.db2.gz DHNUNJVXZGXFDF-UHFFFAOYSA-N 1 2 216.244 1.041 20 0 BDADLO c1cc(N2CC[C@@]3(CCOC3)C2)nc(C2CC2)[nH+]1 ZINC000129136193 386031908 /nfs/dbraw/zinc/03/19/08/386031908.db2.gz HFWWRYLXOBRJQL-CQSZACIVSA-N 1 2 245.326 1.971 20 0 BDADLO CN1CC[N@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000334423597 386032226 /nfs/dbraw/zinc/03/22/26/386032226.db2.gz VOJBUTJBBLNBOF-UHFFFAOYSA-N 1 2 242.326 1.862 20 0 BDADLO CN1CC[N@@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000334423597 386032233 /nfs/dbraw/zinc/03/22/33/386032233.db2.gz VOJBUTJBBLNBOF-UHFFFAOYSA-N 1 2 242.326 1.862 20 0 BDADLO C[N@H+](CCC(N)=O)C/C(Cl)=C/Cl ZINC000286597510 386057140 /nfs/dbraw/zinc/05/71/40/386057140.db2.gz WGXFDBYEHFOHCL-XQRVVYSFSA-N 1 2 211.092 1.113 20 0 BDADLO C[N@@H+](CCC(N)=O)C/C(Cl)=C/Cl ZINC000286597510 386057146 /nfs/dbraw/zinc/05/71/46/386057146.db2.gz WGXFDBYEHFOHCL-XQRVVYSFSA-N 1 2 211.092 1.113 20 0 BDADLO CCC[C@H](OC)C(=O)NCc1[nH+]ccn1CC ZINC000295466481 386038362 /nfs/dbraw/zinc/03/83/62/386038362.db2.gz CNXZPORMYMVDKW-JTQLQIEISA-N 1 2 239.319 1.334 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@@H]2CCCO2)cc[nH+]1 ZINC000286494217 386043213 /nfs/dbraw/zinc/04/32/13/386043213.db2.gz PUJQQPWOBXBDBY-NEPJUHHUSA-N 1 2 233.315 1.933 20 0 BDADLO C[NH2+]Cc1noc(C[C@@H]2CCC[C@H]2C)n1 ZINC000414644429 386044028 /nfs/dbraw/zinc/04/40/28/386044028.db2.gz OFGVCCKDKQQXFS-BDAKNGLRSA-N 1 2 209.293 1.768 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000334437656 386044696 /nfs/dbraw/zinc/04/46/96/386044696.db2.gz RPAYNTIKDFDQNZ-PSASIEDQSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000334437656 386044701 /nfs/dbraw/zinc/04/47/01/386044701.db2.gz RPAYNTIKDFDQNZ-PSASIEDQSA-N 1 2 209.293 1.998 20 0 BDADLO COC[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000336749445 385996178 /nfs/dbraw/zinc/99/61/78/385996178.db2.gz DIINOEMUQKTBHT-ZETCQYMHSA-N 1 2 211.265 1.072 20 0 BDADLO CC[C@@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295882944 386101889 /nfs/dbraw/zinc/10/18/89/386101889.db2.gz YOCIEYPGWKRJSB-SECBINFHSA-N 1 2 209.293 1.565 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](O)C[C@H]1C ZINC000334456966 386111640 /nfs/dbraw/zinc/11/16/40/386111640.db2.gz BDSRBFWCVAWZNP-KOLCDFICSA-N 1 2 249.314 1.685 20 0 BDADLO COC(=O)[C@H](CC(F)(F)F)[NH2+]CC1CC1 ZINC000336773353 386112422 /nfs/dbraw/zinc/11/24/22/386112422.db2.gz YNSZIKZGNHNRBY-ZETCQYMHSA-N 1 2 225.210 1.480 20 0 BDADLO COc1cc(CN(C)Cc2[nH]cc[nH+]2)ccn1 ZINC000647929801 386113620 /nfs/dbraw/zinc/11/36/20/386113620.db2.gz FIXRPZRSZSKXGH-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO O=S1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000334461941 386118677 /nfs/dbraw/zinc/11/86/77/386118677.db2.gz PSEXJEUDPRGNPZ-UONOGXRCSA-N 1 2 249.379 1.854 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1C[C@H]1C ZINC000334442123 386059718 /nfs/dbraw/zinc/05/97/18/386059718.db2.gz COXIQJRQRMGCRM-PSASIEDQSA-N 1 2 204.273 1.797 20 0 BDADLO CC(C)Cc1noc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000274005299 386059624 /nfs/dbraw/zinc/05/96/24/386059624.db2.gz KGLBWXCOFKWGDU-VIFPVBQESA-N 1 2 249.318 1.842 20 0 BDADLO COC(=O)C(C)(C)CC[N@@H+]1CCC(F)(F)C1 ZINC000338573657 386060640 /nfs/dbraw/zinc/06/06/40/386060640.db2.gz WHQVUEQHKSSACR-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO COC(=O)C(C)(C)CC[N@H+]1CCC(F)(F)C1 ZINC000338573657 386060646 /nfs/dbraw/zinc/06/06/46/386060646.db2.gz WHQVUEQHKSSACR-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO COC[C@@H](C)[NH+]1CCN([C@H]2CCSC2)CC1 ZINC000366098218 386062841 /nfs/dbraw/zinc/06/28/41/386062841.db2.gz OEBKKTSIALMJEF-NEPJUHHUSA-N 1 2 244.404 1.144 20 0 BDADLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)no1 ZINC000335073225 386065000 /nfs/dbraw/zinc/06/50/00/386065000.db2.gz KACRTFPWZARDCK-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000338599393 386070803 /nfs/dbraw/zinc/07/08/03/386070803.db2.gz PDOAIJLIPXXDHV-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000338599393 386070806 /nfs/dbraw/zinc/07/08/06/386070806.db2.gz PDOAIJLIPXXDHV-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](CF)NC(=O)NCCNc1cccc[nH+]1 ZINC000286970511 386085923 /nfs/dbraw/zinc/08/59/23/386085923.db2.gz DUWQZVOTJASAFZ-VIFPVBQESA-N 1 2 240.282 1.151 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nc(C2CC2)no1 ZINC000075777954 386091263 /nfs/dbraw/zinc/09/12/63/386091263.db2.gz GTPJMUIVAYIOGW-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000075777954 386091268 /nfs/dbraw/zinc/09/12/68/386091268.db2.gz GTPJMUIVAYIOGW-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nc(C2CC2)no1 ZINC000075777958 386091570 /nfs/dbraw/zinc/09/15/70/386091570.db2.gz GTPJMUIVAYIOGW-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000075777958 386091579 /nfs/dbraw/zinc/09/15/79/386091579.db2.gz GTPJMUIVAYIOGW-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CO[C@@H](C[N@@H+]1CCC(F)(F)C1)C1CC1 ZINC000425458660 386099277 /nfs/dbraw/zinc/09/92/77/386099277.db2.gz MVLZUOMLOAAYCQ-VIFPVBQESA-N 1 2 205.248 1.752 20 0 BDADLO CO[C@@H](C[N@H+]1CCC(F)(F)C1)C1CC1 ZINC000425458660 386099280 /nfs/dbraw/zinc/09/92/80/386099280.db2.gz MVLZUOMLOAAYCQ-VIFPVBQESA-N 1 2 205.248 1.752 20 0 BDADLO Cc1nnc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000287747356 386146028 /nfs/dbraw/zinc/14/60/28/386146028.db2.gz GPFYYOFKTMGMME-GXSJLCMTSA-N 1 2 247.302 1.662 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000414366494 386150526 /nfs/dbraw/zinc/15/05/26/386150526.db2.gz CADHRKWUDKVXIF-WDEREUQCSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000414366494 386150529 /nfs/dbraw/zinc/15/05/29/386150529.db2.gz CADHRKWUDKVXIF-WDEREUQCSA-N 1 2 235.331 1.648 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335157790 386152638 /nfs/dbraw/zinc/15/26/38/386152638.db2.gz HUAKYHHALYYOFO-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335157790 386152640 /nfs/dbraw/zinc/15/26/40/386152640.db2.gz HUAKYHHALYYOFO-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCSC1 ZINC000287933770 386156994 /nfs/dbraw/zinc/15/69/94/386156994.db2.gz WUSHFSHWKTYHGU-SECBINFHSA-N 1 2 239.344 1.354 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000440800850 386159604 /nfs/dbraw/zinc/15/96/04/386159604.db2.gz XHHLGFSAJLRECS-AXFHLTTASA-N 1 2 228.311 1.478 20 0 BDADLO CC[C@H](F)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000440800850 386159612 /nfs/dbraw/zinc/15/96/12/386159612.db2.gz XHHLGFSAJLRECS-AXFHLTTASA-N 1 2 228.311 1.478 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCCCC1 ZINC000296300582 386161228 /nfs/dbraw/zinc/16/12/28/386161228.db2.gz ZSLIHZBALCDACW-UHFFFAOYSA-N 1 2 233.315 1.877 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1=CCCCC1 ZINC000296300582 386161231 /nfs/dbraw/zinc/16/12/31/386161231.db2.gz ZSLIHZBALCDACW-UHFFFAOYSA-N 1 2 233.315 1.877 20 0 BDADLO Cc1nc(N[C@H](C)Cc2cccs2)nc(N)[nH+]1 ZINC000310226117 386163617 /nfs/dbraw/zinc/16/36/17/386163617.db2.gz IIOSSHULIAXMSQ-SSDOTTSWSA-N 1 2 249.343 1.867 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)Cc2cccs2)[nH+]1 ZINC000310226117 386163623 /nfs/dbraw/zinc/16/36/23/386163623.db2.gz IIOSSHULIAXMSQ-SSDOTTSWSA-N 1 2 249.343 1.867 20 0 BDADLO Cc1cn2cc(NC(=O)C3(O)CCC3)ccc2[nH+]1 ZINC000274916752 386163876 /nfs/dbraw/zinc/16/38/76/386163876.db2.gz ZBTFGALFOWRFMV-UHFFFAOYSA-N 1 2 245.282 1.496 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccs2)CC[S@@]1=O ZINC000334477721 386164768 /nfs/dbraw/zinc/16/47/68/386164768.db2.gz PQCPKVGFFJHIPB-OTYXRUKQSA-N 1 2 229.370 1.701 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccs2)CC[S@@]1=O ZINC000334477721 386164770 /nfs/dbraw/zinc/16/47/70/386164770.db2.gz PQCPKVGFFJHIPB-OTYXRUKQSA-N 1 2 229.370 1.701 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccn1 ZINC000274946447 386165765 /nfs/dbraw/zinc/16/57/65/386165765.db2.gz GGNNOHSZFDUPSB-DGCLKSJQSA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccn1 ZINC000274946447 386165773 /nfs/dbraw/zinc/16/57/73/386165773.db2.gz GGNNOHSZFDUPSB-DGCLKSJQSA-N 1 2 248.326 1.855 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000346149935 386167372 /nfs/dbraw/zinc/16/73/72/386167372.db2.gz LGGLRZWFOAHWOZ-PSASIEDQSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)C1CC1 ZINC000346149935 386167373 /nfs/dbraw/zinc/16/73/73/386167373.db2.gz LGGLRZWFOAHWOZ-PSASIEDQSA-N 1 2 233.315 1.744 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1OC ZINC000275047048 386175027 /nfs/dbraw/zinc/17/50/27/386175027.db2.gz ZYIPEPIEYDIMHB-UMNHJUIQSA-N 1 2 237.303 1.389 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@]12C[C@H]1CCC2 ZINC000643303822 386175175 /nfs/dbraw/zinc/17/51/75/386175175.db2.gz UWTZZKDIHRKELO-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cncc(F)c1 ZINC000275117378 386182137 /nfs/dbraw/zinc/18/21/37/386182137.db2.gz IHUNAIPDAKGESL-FVMDXXJSSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cncc(F)c1 ZINC000275117378 386182141 /nfs/dbraw/zinc/18/21/41/386182141.db2.gz IHUNAIPDAKGESL-FVMDXXJSSA-N 1 2 244.335 1.420 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ncccc1C ZINC000275123236 386183622 /nfs/dbraw/zinc/18/36/22/386183622.db2.gz PZFSVIXMVWSFIA-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ncccc1C ZINC000275123236 386183624 /nfs/dbraw/zinc/18/36/24/386183624.db2.gz PZFSVIXMVWSFIA-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000275195587 386191276 /nfs/dbraw/zinc/19/12/76/386191276.db2.gz PRWDHKGBCYJJAD-SNVBAGLBSA-N 1 2 248.334 1.508 20 0 BDADLO COC1(C)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000346208533 386186621 /nfs/dbraw/zinc/18/66/21/386186621.db2.gz RNOHZQLQYSQMTC-UHFFFAOYSA-N 1 2 221.304 1.627 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000310130942 386130205 /nfs/dbraw/zinc/13/02/05/386130205.db2.gz YTOYXPNNNJJQCS-KHQFGBGNSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000310130942 386130212 /nfs/dbraw/zinc/13/02/12/386130212.db2.gz YTOYXPNNNJJQCS-KHQFGBGNSA-N 1 2 235.335 1.999 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1 ZINC000054626844 386131021 /nfs/dbraw/zinc/13/10/21/386131021.db2.gz VBMKNJBRVXCGDI-DTORHVGOSA-N 1 2 222.313 1.839 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccs1 ZINC000054626844 386131022 /nfs/dbraw/zinc/13/10/22/386131022.db2.gz VBMKNJBRVXCGDI-DTORHVGOSA-N 1 2 222.313 1.839 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OC ZINC000308533131 386131711 /nfs/dbraw/zinc/13/17/11/386131711.db2.gz KRUZDVBFESXQHA-XHNCKOQMSA-N 1 2 217.334 1.279 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425471740 386133360 /nfs/dbraw/zinc/13/33/60/386133360.db2.gz HBDOCPYYXUDVSV-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425471740 386133362 /nfs/dbraw/zinc/13/33/62/386133362.db2.gz HBDOCPYYXUDVSV-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000425466854 386135459 /nfs/dbraw/zinc/13/54/59/386135459.db2.gz BOCOZTAVUOWRAB-RQJHMYQMSA-N 1 2 247.245 1.664 20 0 BDADLO COC1(C(=O)NCc2[nH]cc[nH+]2)CCCCC1 ZINC000274677711 386138027 /nfs/dbraw/zinc/13/80/27/386138027.db2.gz LPUCNETVLMRYKJ-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000274681252 386138450 /nfs/dbraw/zinc/13/84/50/386138450.db2.gz JTRWPZBVOLPJAT-VHSXEESVSA-N 1 2 221.304 1.626 20 0 BDADLO CCN(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000287655622 386140010 /nfs/dbraw/zinc/14/00/10/386140010.db2.gz WRZDVCMDXOBXLN-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO CN(CC1(CO)CC1)c1[nH]c2ccccc2[nH+]1 ZINC000275426475 386210722 /nfs/dbraw/zinc/21/07/22/386210722.db2.gz IHPOFUDRRZBZFE-UHFFFAOYSA-N 1 2 231.299 1.772 20 0 BDADLO O=C(C1CC1)N1CCC[N@H+](Cc2ccno2)CC1 ZINC000275460326 386212479 /nfs/dbraw/zinc/21/24/79/386212479.db2.gz MNHJMYCCIKFOOE-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccno2)CC1 ZINC000275460326 386212486 /nfs/dbraw/zinc/21/24/86/386212486.db2.gz MNHJMYCCIKFOOE-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO O=C(c1cocn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000264164779 386212826 /nfs/dbraw/zinc/21/28/26/386212826.db2.gz IVGDQHAXSFNLNL-JTQLQIEISA-N 1 2 246.270 1.765 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC1(C)C ZINC000264180644 386214183 /nfs/dbraw/zinc/21/41/83/386214183.db2.gz NHGYQDUHVSFDQU-QMMMGPOBSA-N 1 2 222.292 1.018 20 0 BDADLO Cc1n[nH]cc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000365612637 386214231 /nfs/dbraw/zinc/21/42/31/386214231.db2.gz MTBGCWXIYCGHKH-UHFFFAOYSA-N 1 2 243.310 1.422 20 0 BDADLO CC(C)(CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000125012291 386215309 /nfs/dbraw/zinc/21/53/09/386215309.db2.gz BQYQKKVSAKFBRH-UHFFFAOYSA-N 1 2 207.277 1.537 20 0 BDADLO CCN(Cc1ccccn1)c1nc(C)[nH+]c(N)n1 ZINC000310614522 386217643 /nfs/dbraw/zinc/21/76/43/386217643.db2.gz FFDLJVVDSABEPT-UHFFFAOYSA-N 1 2 244.302 1.184 20 0 BDADLO CCN(Cc1ccccn1)c1nc(N)nc(C)[nH+]1 ZINC000310614522 386217649 /nfs/dbraw/zinc/21/76/49/386217649.db2.gz FFDLJVVDSABEPT-UHFFFAOYSA-N 1 2 244.302 1.184 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCc1[nH+]ccn1C ZINC000416151443 386221325 /nfs/dbraw/zinc/22/13/25/386221325.db2.gz QGADLZRQCFQYND-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO Cc1c[nH+]cc(NCc2ccnn2C)c1 ZINC000125090553 386221979 /nfs/dbraw/zinc/22/19/79/386221979.db2.gz FIDLRXHICGLNTC-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@H]3C[C@H]3C)CCO2)n[nH]1 ZINC000408360505 386222185 /nfs/dbraw/zinc/22/21/85/386222185.db2.gz VEDAMFDWKYULJI-IEBDPFPHSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@H]3C[C@H]3C)CCO2)n[nH]1 ZINC000408360505 386222187 /nfs/dbraw/zinc/22/21/87/386222187.db2.gz VEDAMFDWKYULJI-IEBDPFPHSA-N 1 2 236.319 1.142 20 0 BDADLO CCC1(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000297118729 386225921 /nfs/dbraw/zinc/22/59/21/386225921.db2.gz OWZHDONLSSUGIE-JTQLQIEISA-N 1 2 236.319 1.513 20 0 BDADLO Cc1[nH]c2nc[nH+]c(SCC(N)=O)c2c1C ZINC000645258209 386226135 /nfs/dbraw/zinc/22/61/35/386226135.db2.gz BXZPSGLNHPSAPC-UHFFFAOYSA-N 1 2 236.300 1.152 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1C=CCC1 ZINC000264333048 386227408 /nfs/dbraw/zinc/22/74/08/386227408.db2.gz UAMLBUDQFOQRJG-SNVBAGLBSA-N 1 2 219.288 1.393 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCc1[nH]c[nH+]c1C ZINC000416172845 386232481 /nfs/dbraw/zinc/23/24/81/386232481.db2.gz YPKUYWRHNYHXII-LLVKDONJSA-N 1 2 239.319 1.395 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CCC(C)(O)CC1 ZINC000275757171 386236403 /nfs/dbraw/zinc/23/64/03/386236403.db2.gz UDTNMRXKEDJKNL-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000264457205 386238982 /nfs/dbraw/zinc/23/89/82/386238982.db2.gz UGBLMDUQKYDNJO-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000264457205 386238985 /nfs/dbraw/zinc/23/89/85/386238985.db2.gz UGBLMDUQKYDNJO-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO O=C(CCn1cc[nH+]c1)N(CC(F)F)C1CC1 ZINC000264472385 386239243 /nfs/dbraw/zinc/23/92/43/386239243.db2.gz XUNKCJLGBNAGQB-UHFFFAOYSA-N 1 2 243.257 1.529 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)[C@H]1CCOC1 ZINC000264457217 386240039 /nfs/dbraw/zinc/24/00/39/386240039.db2.gz UGBLMDUQKYDNJO-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000264457217 386240044 /nfs/dbraw/zinc/24/00/44/386240044.db2.gz UGBLMDUQKYDNJO-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CCc1cc(NCCC2(COC)CC2)nc[nH+]1 ZINC000645307406 386243516 /nfs/dbraw/zinc/24/35/16/386243516.db2.gz RXUBCMXFMRBZSH-UHFFFAOYSA-N 1 2 235.331 1.690 20 0 BDADLO CN(CC(F)F)C(=O)CCc1c[nH+]cn1C ZINC000339094815 386244230 /nfs/dbraw/zinc/24/42/30/386244230.db2.gz XDPWONIZSGQPFC-UHFFFAOYSA-N 1 2 231.246 1.076 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC000336642599 386245947 /nfs/dbraw/zinc/24/59/47/386245947.db2.gz AIJQUSOHXCYKKB-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000336642599 386245949 /nfs/dbraw/zinc/24/59/49/386245949.db2.gz AIJQUSOHXCYKKB-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCc2cncnc2C1 ZINC000331920843 386248881 /nfs/dbraw/zinc/24/88/81/386248881.db2.gz DVJJZUFTMCMBLM-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCc2cncnc2C1 ZINC000331920843 386248889 /nfs/dbraw/zinc/24/88/89/386248889.db2.gz DVJJZUFTMCMBLM-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000275887044 386249491 /nfs/dbraw/zinc/24/94/91/386249491.db2.gz RJLSVXJXPALGJZ-CMPLNLGQSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000275887044 386249496 /nfs/dbraw/zinc/24/94/96/386249496.db2.gz RJLSVXJXPALGJZ-CMPLNLGQSA-N 1 2 240.303 1.219 20 0 BDADLO O=C(CC1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263938692 386192712 /nfs/dbraw/zinc/19/27/12/386192712.db2.gz HUWQWQWEQGCKTH-NSHDSACASA-N 1 2 233.315 1.916 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366217681 386196012 /nfs/dbraw/zinc/19/60/12/386196012.db2.gz NLEVZWWYHYNTSO-NQMVMOMDSA-N 1 2 219.288 1.354 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366217681 386196016 /nfs/dbraw/zinc/19/60/16/386196016.db2.gz NLEVZWWYHYNTSO-NQMVMOMDSA-N 1 2 219.288 1.354 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CCOCC12CC2 ZINC000339001526 386198246 /nfs/dbraw/zinc/19/82/46/386198246.db2.gz NHBSRTQIKKZDLJ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CCOCC12CC2 ZINC000339001526 386198251 /nfs/dbraw/zinc/19/82/51/386198251.db2.gz NHBSRTQIKKZDLJ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)nc1 ZINC000339002160 386200430 /nfs/dbraw/zinc/20/04/30/386200430.db2.gz XPOPIPGPUYNOSC-ZDUSSCGKSA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)nc1 ZINC000339002160 386200434 /nfs/dbraw/zinc/20/04/34/386200434.db2.gz XPOPIPGPUYNOSC-ZDUSSCGKSA-N 1 2 247.342 1.307 20 0 BDADLO c1cc([C@H]2CCCC[N@H+]2Cc2cncnc2)n[nH]1 ZINC000289323004 386284541 /nfs/dbraw/zinc/28/45/41/386284541.db2.gz FYRITLGCAHBDAM-CYBMUJFWSA-N 1 2 243.314 1.927 20 0 BDADLO c1cc([C@H]2CCCC[N@@H+]2Cc2cncnc2)n[nH]1 ZINC000289323004 386284547 /nfs/dbraw/zinc/28/45/47/386284547.db2.gz FYRITLGCAHBDAM-CYBMUJFWSA-N 1 2 243.314 1.927 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@H](C)CO ZINC000297907771 386286222 /nfs/dbraw/zinc/28/62/22/386286222.db2.gz YBEMEWNEXHTPGW-SNVBAGLBSA-N 1 2 237.303 1.625 20 0 BDADLO CO[C@@H]1C[NH+](Cc2csc(C)n2)C[C@H]1OC ZINC000336664867 386287527 /nfs/dbraw/zinc/28/75/27/386287527.db2.gz HYSMYGHPAAVSCB-GHMZBOCLSA-N 1 2 242.344 1.297 20 0 BDADLO Cn1ncc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000289337798 386287540 /nfs/dbraw/zinc/28/75/40/386287540.db2.gz ITUGIYZOZPDBFB-LLVKDONJSA-N 1 2 246.318 1.265 20 0 BDADLO COc1ccncc1C[NH2+][C@@H](C)c1ccon1 ZINC000347215018 386287755 /nfs/dbraw/zinc/28/77/55/386287755.db2.gz XUDFPQKSIPUMNK-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)nn1 ZINC000414396703 386289152 /nfs/dbraw/zinc/28/91/52/386289152.db2.gz PNSMLDOOVJZMKD-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)nn1 ZINC000414396703 386289154 /nfs/dbraw/zinc/28/91/54/386289154.db2.gz PNSMLDOOVJZMKD-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2C)n1 ZINC000289373399 386293365 /nfs/dbraw/zinc/29/33/65/386293365.db2.gz BAMNPOMSCFZAGK-NSHDSACASA-N 1 2 247.302 1.747 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2C)n1 ZINC000289373399 386293368 /nfs/dbraw/zinc/29/33/68/386293368.db2.gz BAMNPOMSCFZAGK-NSHDSACASA-N 1 2 247.302 1.747 20 0 BDADLO Cn1ncc(C[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000289376898 386293443 /nfs/dbraw/zinc/29/34/43/386293443.db2.gz PBGWNZCYHQDGCI-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO Cn1ncc(C[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000289376898 386293448 /nfs/dbraw/zinc/29/34/48/386293448.db2.gz PBGWNZCYHQDGCI-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2C)n1 ZINC000289373391 386293897 /nfs/dbraw/zinc/29/38/97/386293897.db2.gz BAMNPOMSCFZAGK-LLVKDONJSA-N 1 2 247.302 1.747 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+]2Cc2c[nH]nc2C)n1 ZINC000289373391 386293901 /nfs/dbraw/zinc/29/39/01/386293901.db2.gz BAMNPOMSCFZAGK-LLVKDONJSA-N 1 2 247.302 1.747 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C)(C)C[C@H]1C ZINC000335264490 386298315 /nfs/dbraw/zinc/29/83/15/386298315.db2.gz KLASFSGWRGXQRI-SECBINFHSA-N 1 2 235.331 1.908 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCc2ccccc2OC1 ZINC000366986658 386300295 /nfs/dbraw/zinc/30/02/95/386300295.db2.gz FNIJAHWARXPFKR-RYUDHWBXSA-N 1 2 247.294 1.285 20 0 BDADLO CCS[C@@H](C)c1noc(C[NH+](C)C)n1 ZINC000336672203 386303375 /nfs/dbraw/zinc/30/33/75/386303375.db2.gz LKJJNNSPGBVGHU-ZETCQYMHSA-N 1 2 215.322 1.945 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)on1 ZINC000265109661 386307597 /nfs/dbraw/zinc/30/75/97/386307597.db2.gz JXUHPDNNTRZCIL-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000336673350 386307803 /nfs/dbraw/zinc/30/78/03/386307803.db2.gz KQEIJETYTQPALA-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000336673350 386307811 /nfs/dbraw/zinc/30/78/11/386307811.db2.gz KQEIJETYTQPALA-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000334482895 386312558 /nfs/dbraw/zinc/31/25/58/386312558.db2.gz XJQZMXZPYPZIKV-LLVKDONJSA-N 1 2 214.284 1.043 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000334482895 386312564 /nfs/dbraw/zinc/31/25/64/386312564.db2.gz XJQZMXZPYPZIKV-LLVKDONJSA-N 1 2 214.284 1.043 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccc(C)cc2)c[nH+]1 ZINC000265216005 386319230 /nfs/dbraw/zinc/31/92/30/386319230.db2.gz AKXLYCIWUQNHJK-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO Fc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366317916 386320277 /nfs/dbraw/zinc/32/02/77/386320277.db2.gz FEYSXZOQUODGNN-NEPJUHHUSA-N 1 2 207.248 1.799 20 0 BDADLO Fc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366317916 386320281 /nfs/dbraw/zinc/32/02/81/386320281.db2.gz FEYSXZOQUODGNN-NEPJUHHUSA-N 1 2 207.248 1.799 20 0 BDADLO CSC[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000336679931 386321773 /nfs/dbraw/zinc/32/17/73/386321773.db2.gz QZLSFGWXHPSATI-JTQLQIEISA-N 1 2 241.360 1.953 20 0 BDADLO CSC[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000336679931 386321776 /nfs/dbraw/zinc/32/17/76/386321776.db2.gz QZLSFGWXHPSATI-JTQLQIEISA-N 1 2 241.360 1.953 20 0 BDADLO CC(C)C1(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000297638310 386269583 /nfs/dbraw/zinc/26/95/83/386269583.db2.gz HREFTYGQEGSAHO-UHFFFAOYSA-N 1 2 236.319 1.371 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000416318803 386276206 /nfs/dbraw/zinc/27/62/06/386276206.db2.gz GHCPHBSZXBISPP-QXEWZRGKSA-N 1 2 235.331 1.764 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276551361 386344479 /nfs/dbraw/zinc/34/44/79/386344479.db2.gz HSCCBSLMZIJEOY-ROSGPLSXSA-N 1 2 221.304 1.974 20 0 BDADLO Cc1ccnc(NCCNc2cccc[nH+]2)n1 ZINC000265543331 386346537 /nfs/dbraw/zinc/34/65/37/386346537.db2.gz PHDWOGJDOTYELW-UHFFFAOYSA-N 1 2 229.287 1.704 20 0 BDADLO CSC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276568820 386347572 /nfs/dbraw/zinc/34/75/72/386347572.db2.gz KALUEHOQTSONAK-RTMURIBGSA-N 1 2 225.317 1.291 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000276641348 386359119 /nfs/dbraw/zinc/35/91/19/386359119.db2.gz QSNYCYUUZGABOK-SNVBAGLBSA-N 1 2 247.302 1.270 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1cccs1 ZINC000265678457 386361105 /nfs/dbraw/zinc/36/11/05/386361105.db2.gz IWPCAXXXZJJROE-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000265736090 386365835 /nfs/dbraw/zinc/36/58/35/386365835.db2.gz BAPFAZPZRHMIHE-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000265736090 386365838 /nfs/dbraw/zinc/36/58/38/386365838.db2.gz BAPFAZPZRHMIHE-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347370429 386369242 /nfs/dbraw/zinc/36/92/42/386369242.db2.gz MHFOITSLBPHDPT-JQWIXIFHSA-N 1 2 247.310 1.125 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347370429 386369245 /nfs/dbraw/zinc/36/92/45/386369245.db2.gz MHFOITSLBPHDPT-JQWIXIFHSA-N 1 2 247.310 1.125 20 0 BDADLO C[N@H+](CCC1CCOCC1)Cc1nnc[nH]1 ZINC000336690225 386370513 /nfs/dbraw/zinc/37/05/13/386370513.db2.gz KLKBFVWPDBBEBL-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO C[N@@H+](CCC1CCOCC1)Cc1nnc[nH]1 ZINC000336690225 386370515 /nfs/dbraw/zinc/37/05/15/386370515.db2.gz KLKBFVWPDBBEBL-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347381028 386374709 /nfs/dbraw/zinc/37/47/09/386374709.db2.gz NJYXYYJGQXTZOC-MWLCHTKSSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347381028 386374712 /nfs/dbraw/zinc/37/47/12/386374712.db2.gz NJYXYYJGQXTZOC-MWLCHTKSSA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)(C)NC(=O)NCCNc1cccc[nH+]1 ZINC000298733775 386379026 /nfs/dbraw/zinc/37/90/26/386379026.db2.gz OYHOZSZWAWDSGS-UHFFFAOYSA-N 1 2 236.319 1.591 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000265870580 386380929 /nfs/dbraw/zinc/38/09/29/386380929.db2.gz YRQZFSXGGZCKPU-OLZOCXBDSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000265922749 386383174 /nfs/dbraw/zinc/38/31/74/386383174.db2.gz MHSJNZNKQNIDEJ-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO CCC[C@@](C)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000336731730 386328744 /nfs/dbraw/zinc/32/87/44/386328744.db2.gz IXDWMHIKDGIPHO-GFCCVEGCSA-N 1 2 231.336 1.469 20 0 BDADLO CSCCC[N@H+](C)Cc1nc(C)no1 ZINC000336684328 386332750 /nfs/dbraw/zinc/33/27/50/386332750.db2.gz JTPJSRAPTKXKSK-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CSCCC[N@@H+](C)Cc1nc(C)no1 ZINC000336684328 386332756 /nfs/dbraw/zinc/33/27/56/386332756.db2.gz JTPJSRAPTKXKSK-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000347335332 386332990 /nfs/dbraw/zinc/33/29/90/386332990.db2.gz AJXZUHAEUREEMP-GFCCVEGCSA-N 1 2 240.278 1.330 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000347335332 386332994 /nfs/dbraw/zinc/33/29/94/386332994.db2.gz AJXZUHAEUREEMP-GFCCVEGCSA-N 1 2 240.278 1.330 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000339467310 386441819 /nfs/dbraw/zinc/44/18/19/386441819.db2.gz FIAKNNHOPNPRMP-LLVKDONJSA-N 1 2 244.298 1.378 20 0 BDADLO C[C@@H](CO)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277500370 386442045 /nfs/dbraw/zinc/44/20/45/386442045.db2.gz REIIYNPVBOYRIJ-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO C[C@@H](CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277500370 386442049 /nfs/dbraw/zinc/44/20/49/386442049.db2.gz REIIYNPVBOYRIJ-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)C(=O)C2)s1 ZINC000266005830 386389293 /nfs/dbraw/zinc/38/92/93/386389293.db2.gz QBOQVHHPIHUGMR-UHFFFAOYSA-N 1 2 239.344 1.034 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)C(=O)C2)s1 ZINC000266005830 386389299 /nfs/dbraw/zinc/38/92/99/386389299.db2.gz QBOQVHHPIHUGMR-UHFFFAOYSA-N 1 2 239.344 1.034 20 0 BDADLO CCCc1noc(C[NH2+]C(C)(C)COCC)n1 ZINC000339369784 386390063 /nfs/dbraw/zinc/39/00/63/386390063.db2.gz YHDJJDIVWUKRSD-UHFFFAOYSA-N 1 2 241.335 1.927 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000266043028 386393102 /nfs/dbraw/zinc/39/31/02/386393102.db2.gz WQITULKSMDOBRE-GDLVEWKHSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccncc1 ZINC000266043028 386393108 /nfs/dbraw/zinc/39/31/08/386393108.db2.gz WQITULKSMDOBRE-GDLVEWKHSA-N 1 2 238.356 1.423 20 0 BDADLO CC/C=C/CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298904977 386397827 /nfs/dbraw/zinc/39/78/27/386397827.db2.gz OBHUHAMNVCJHEB-ORAHPGNNSA-N 1 2 236.319 1.647 20 0 BDADLO CC/C=C/CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298904977 386397833 /nfs/dbraw/zinc/39/78/33/386397833.db2.gz OBHUHAMNVCJHEB-ORAHPGNNSA-N 1 2 236.319 1.647 20 0 BDADLO COCCc1noc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000336700908 386402233 /nfs/dbraw/zinc/40/22/33/386402233.db2.gz GFDQMRIDACZIMW-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO COCCc1noc(C[N@H+]2CCC=C(C)C2)n1 ZINC000336700908 386402236 /nfs/dbraw/zinc/40/22/36/386402236.db2.gz GFDQMRIDACZIMW-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H](C)C2)nc1 ZINC000336701979 386403913 /nfs/dbraw/zinc/40/39/13/386403913.db2.gz MOLVVLTVKDDKLD-NSHDSACASA-N 1 2 221.304 1.253 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H](C)C2)nc1 ZINC000336701979 386403919 /nfs/dbraw/zinc/40/39/19/386403919.db2.gz MOLVVLTVKDDKLD-NSHDSACASA-N 1 2 221.304 1.253 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)[C@H](C)OC)C(C)C ZINC000191717042 386410119 /nfs/dbraw/zinc/41/01/19/386410119.db2.gz HNXQZIGVEXDRIL-GUBZILKMSA-N 1 2 217.309 1.197 20 0 BDADLO CC(C)n1cc(CN(C)Cc2[nH+]ccn2C)nn1 ZINC000290293573 386416538 /nfs/dbraw/zinc/41/65/38/386416538.db2.gz HEMAMOHPSWHURK-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO O=C(/C=C/C1CC1)NCCCn1cc[nH+]c1 ZINC000266264762 386419556 /nfs/dbraw/zinc/41/95/56/386419556.db2.gz XOOXZSXOTOHHEV-SNAWJCMRSA-N 1 2 219.288 1.356 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CC(C)(F)F ZINC000277240883 386422106 /nfs/dbraw/zinc/42/21/06/386422106.db2.gz OJJOEJJYZQPOHY-UHFFFAOYSA-N 1 2 231.246 1.424 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000290345118 386422056 /nfs/dbraw/zinc/42/20/56/386422056.db2.gz FAAJDKTWUNYABH-NEPJUHHUSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000290345118 386422065 /nfs/dbraw/zinc/42/20/65/386422065.db2.gz FAAJDKTWUNYABH-NEPJUHHUSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000290345118 386422072 /nfs/dbraw/zinc/42/20/72/386422072.db2.gz FAAJDKTWUNYABH-NEPJUHHUSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000290345118 386422078 /nfs/dbraw/zinc/42/20/78/386422078.db2.gz FAAJDKTWUNYABH-NEPJUHHUSA-N 1 2 221.304 1.471 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000339433922 386424136 /nfs/dbraw/zinc/42/41/36/386424136.db2.gz SSYGRODMXVBKPH-GHMZBOCLSA-N 1 2 233.315 1.425 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCS[C@H](C)C1 ZINC000290361599 386424709 /nfs/dbraw/zinc/42/47/09/386424709.db2.gz GWBNDWIRAZXLMD-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCS[C@H](C)C1 ZINC000290361599 386424714 /nfs/dbraw/zinc/42/47/14/386424714.db2.gz GWBNDWIRAZXLMD-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO CC[N@H+](CCOC)Cc1nccn1C(F)F ZINC000299201711 386426324 /nfs/dbraw/zinc/42/63/24/386426324.db2.gz ODARQYZPMSPPRI-UHFFFAOYSA-N 1 2 233.262 1.747 20 0 BDADLO CC[N@@H+](CCOC)Cc1nccn1C(F)F ZINC000299201711 386426329 /nfs/dbraw/zinc/42/63/29/386426329.db2.gz ODARQYZPMSPPRI-UHFFFAOYSA-N 1 2 233.262 1.747 20 0 BDADLO Cc1c[nH+]c(CNCc2ccoc2)n1C ZINC000336743635 386429671 /nfs/dbraw/zinc/42/96/71/386429671.db2.gz YIKAVCOQZZRXJE-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccoc2)n1C ZINC000336743635 386429680 /nfs/dbraw/zinc/42/96/80/386429680.db2.gz YIKAVCOQZZRXJE-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nn1C ZINC000336712988 386430608 /nfs/dbraw/zinc/43/06/08/386430608.db2.gz SERNUUPSQYOXNK-QWHCGFSZSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nn1C ZINC000336712988 386430614 /nfs/dbraw/zinc/43/06/14/386430614.db2.gz SERNUUPSQYOXNK-QWHCGFSZSA-N 1 2 235.331 1.482 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000417250074 386466163 /nfs/dbraw/zinc/46/61/63/386466163.db2.gz GMCCOQJEIKTZMB-SECBINFHSA-N 1 2 239.319 1.760 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000417250074 386466166 /nfs/dbraw/zinc/46/61/66/386466166.db2.gz GMCCOQJEIKTZMB-SECBINFHSA-N 1 2 239.319 1.760 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)o1 ZINC000336734190 386467056 /nfs/dbraw/zinc/46/70/56/386467056.db2.gz VLNVATCZERRZAW-NSHDSACASA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)o1 ZINC000336734190 386467059 /nfs/dbraw/zinc/46/70/59/386467059.db2.gz VLNVATCZERRZAW-NSHDSACASA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccncc2)nn1C ZINC000414440641 386469897 /nfs/dbraw/zinc/46/98/97/386469897.db2.gz YRNBERXPOGWFKT-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccncc2)nn1C ZINC000414440641 386469904 /nfs/dbraw/zinc/46/99/04/386469904.db2.gz YRNBERXPOGWFKT-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000266840986 386473514 /nfs/dbraw/zinc/47/35/14/386473514.db2.gz OGEFBCNKCSXGAU-WUHRBBMRSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cn1 ZINC000299630793 386476110 /nfs/dbraw/zinc/47/61/10/386476110.db2.gz GPCUIZLAGUDSHD-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO Cc1cnc(CC[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)c1 ZINC000335365519 386476732 /nfs/dbraw/zinc/47/67/32/386476732.db2.gz JJUYHFQMICWALK-LBPRGKRZSA-N 1 2 247.342 1.061 20 0 BDADLO Cc1cnc(CC[N@H+]2CC(=O)N[C@@H](C)C2)c(C)c1 ZINC000335365519 386476735 /nfs/dbraw/zinc/47/67/35/386476735.db2.gz JJUYHFQMICWALK-LBPRGKRZSA-N 1 2 247.342 1.061 20 0 BDADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339563346 386477610 /nfs/dbraw/zinc/47/76/10/386477610.db2.gz KPMOENMIKHIOKC-WDEREUQCSA-N 1 2 248.326 1.974 20 0 BDADLO COc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000339563346 386477613 /nfs/dbraw/zinc/47/76/13/386477613.db2.gz KPMOENMIKHIOKC-WDEREUQCSA-N 1 2 248.326 1.974 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000335425557 386477799 /nfs/dbraw/zinc/47/77/99/386477799.db2.gz WHTACLNTGZJFEU-LBPRGKRZSA-N 1 2 239.340 1.988 20 0 BDADLO c1coc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000335425557 386477803 /nfs/dbraw/zinc/47/78/03/386477803.db2.gz WHTACLNTGZJFEU-LBPRGKRZSA-N 1 2 239.340 1.988 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335428631 386484304 /nfs/dbraw/zinc/48/43/04/386484304.db2.gz VNGFBEQTJRZLDJ-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO CCN(CCO)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000519552541 386487223 /nfs/dbraw/zinc/48/72/23/386487223.db2.gz PANLZDANTJUGMT-UHFFFAOYSA-N 1 2 247.298 1.097 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000335432120 386488527 /nfs/dbraw/zinc/48/85/27/386488527.db2.gz ASBDFJXSMRSEDF-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000335432120 386488529 /nfs/dbraw/zinc/48/85/29/386488529.db2.gz ASBDFJXSMRSEDF-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO O=C(c1ccnc(F)c1)N1CCn2c[nH+]cc2C1 ZINC000290924392 386490019 /nfs/dbraw/zinc/49/00/19/386490019.db2.gz LCYKHMREISXSDM-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO CS[C@@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290944491 386492920 /nfs/dbraw/zinc/49/29/20/386492920.db2.gz OXLBZCVQDVPHPU-VIFPVBQESA-N 1 2 239.344 1.367 20 0 BDADLO C[C@H](CNC(=O)CCC1CC1)Cn1cc[nH+]c1 ZINC000267104075 386494704 /nfs/dbraw/zinc/49/47/04/386494704.db2.gz MEZDSSCHHJBUPH-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CC)[C@@H](C)CO ZINC000339627454 386495846 /nfs/dbraw/zinc/49/58/46/386495846.db2.gz OPLWDHKIAIUFHC-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CC)[C@@H](C)CO ZINC000339627454 386495850 /nfs/dbraw/zinc/49/58/50/386495850.db2.gz OPLWDHKIAIUFHC-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO CN1CC[N@H+](Cc2cccc(C3CC3)c2)CC1=O ZINC000519595249 386498452 /nfs/dbraw/zinc/49/84/52/386498452.db2.gz XZYAKLDLVZFZRJ-UHFFFAOYSA-N 1 2 244.338 1.838 20 0 BDADLO CN1CC[N@@H+](Cc2cccc(C3CC3)c2)CC1=O ZINC000519595249 386498458 /nfs/dbraw/zinc/49/84/58/386498458.db2.gz XZYAKLDLVZFZRJ-UHFFFAOYSA-N 1 2 244.338 1.838 20 0 BDADLO CCc1ccccc1CC[N@@H+]1CCNC(=O)C1 ZINC000278194459 386499582 /nfs/dbraw/zinc/49/95/82/386499582.db2.gz RSXAIDYTZHNYBR-UHFFFAOYSA-N 1 2 232.327 1.223 20 0 BDADLO CCc1ccccc1CC[N@H+]1CCNC(=O)C1 ZINC000278194459 386499592 /nfs/dbraw/zinc/49/95/92/386499592.db2.gz RSXAIDYTZHNYBR-UHFFFAOYSA-N 1 2 232.327 1.223 20 0 BDADLO C[C@@H](CNC(=O)[C@@H](C)C1CC1)Cn1cc[nH+]c1 ZINC000267193564 386506043 /nfs/dbraw/zinc/50/60/43/386506043.db2.gz ZERFLXXIYJWNHD-QWRGUYRKSA-N 1 2 235.331 1.682 20 0 BDADLO Cn1c[nH+]cc1CSc1nncs1 ZINC000267193829 386506106 /nfs/dbraw/zinc/50/61/06/386506106.db2.gz PFPRFTIIUSVPQY-UHFFFAOYSA-N 1 2 212.303 1.564 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1ccc(OC)cc1)C1CC1 ZINC000227766745 386510039 /nfs/dbraw/zinc/51/00/39/386510039.db2.gz DMHPOJXLVCDWLH-ZDUSSCGKSA-N 1 2 249.310 1.736 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000135492830 386514510 /nfs/dbraw/zinc/51/45/10/386514510.db2.gz MLJFHXXKEWTVBS-KCJUWKMLSA-N 1 2 207.277 1.462 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000135492852 386515679 /nfs/dbraw/zinc/51/56/79/386515679.db2.gz MLJFHXXKEWTVBS-GZMMTYOYSA-N 1 2 207.277 1.462 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335450140 386520181 /nfs/dbraw/zinc/52/01/81/386520181.db2.gz VLIKVWPPETULRB-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[NH+]2CCN(C3CC3)CC2)sn1 ZINC000637892475 386520261 /nfs/dbraw/zinc/52/02/61/386520261.db2.gz AJWVLJGYYDGGID-UHFFFAOYSA-N 1 2 237.372 1.732 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335450140 386520188 /nfs/dbraw/zinc/52/01/88/386520188.db2.gz VLIKVWPPETULRB-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335450140 386520192 /nfs/dbraw/zinc/52/01/92/386520192.db2.gz VLIKVWPPETULRB-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335450140 386520196 /nfs/dbraw/zinc/52/01/96/386520196.db2.gz VLIKVWPPETULRB-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000335450446 386522244 /nfs/dbraw/zinc/52/22/44/386522244.db2.gz YPQNIGIXRVLOLJ-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000335450446 386522251 /nfs/dbraw/zinc/52/22/51/386522251.db2.gz YPQNIGIXRVLOLJ-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO O=C(CSC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000519684325 386530571 /nfs/dbraw/zinc/53/05/71/386530571.db2.gz IGFDFHZHHCIRLZ-UHFFFAOYSA-N 1 2 237.328 1.162 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cn1 ZINC000336721535 386456594 /nfs/dbraw/zinc/45/65/94/386456594.db2.gz ZJUWLDSKTANLME-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cn1 ZINC000336721535 386456599 /nfs/dbraw/zinc/45/65/99/386456599.db2.gz ZJUWLDSKTANLME-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000336721624 386458649 /nfs/dbraw/zinc/45/86/49/386458649.db2.gz ZOOCRGYGPBHIOJ-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000336721624 386458653 /nfs/dbraw/zinc/45/86/53/386458653.db2.gz ZOOCRGYGPBHIOJ-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO CO[C@H]1COC[C@@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000290598608 386458823 /nfs/dbraw/zinc/45/88/23/386458823.db2.gz DQSHBXKJMYMAFM-QWRGUYRKSA-N 1 2 249.314 1.488 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000335286883 386460526 /nfs/dbraw/zinc/46/05/26/386460526.db2.gz FUCXQMBVDIMLAK-UHFFFAOYSA-N 1 2 235.331 1.721 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000335286883 386460534 /nfs/dbraw/zinc/46/05/34/386460534.db2.gz FUCXQMBVDIMLAK-UHFFFAOYSA-N 1 2 235.331 1.721 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)c2nncn2C)CCS1 ZINC000335285743 386462515 /nfs/dbraw/zinc/46/25/15/386462515.db2.gz ZNDVCVJNBNKUMQ-UWVGGRQHSA-N 1 2 240.376 1.704 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)c2nncn2C)CCS1 ZINC000335285743 386462522 /nfs/dbraw/zinc/46/25/22/386462522.db2.gz ZNDVCVJNBNKUMQ-UWVGGRQHSA-N 1 2 240.376 1.704 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000336722893 386463192 /nfs/dbraw/zinc/46/31/92/386463192.db2.gz YKOVGCGSGURZGH-SECBINFHSA-N 1 2 241.335 1.834 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC23CCCC3)c1 ZINC000457849301 386463227 /nfs/dbraw/zinc/46/32/27/386463227.db2.gz FDXFYNBQDZGRDV-GFCCVEGCSA-N 1 2 247.342 1.659 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000336722893 386463197 /nfs/dbraw/zinc/46/31/97/386463197.db2.gz YKOVGCGSGURZGH-SECBINFHSA-N 1 2 241.335 1.834 20 0 BDADLO CC[C@H](OC)C(=O)Nc1c[nH+]ccc1OC ZINC000299529777 386464459 /nfs/dbraw/zinc/46/44/59/386464459.db2.gz YXMVQGFFJUBIMC-VIFPVBQESA-N 1 2 224.260 1.454 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000299549621 386465549 /nfs/dbraw/zinc/46/55/49/386465549.db2.gz XESNAXDUGUBZCF-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000299549621 386465555 /nfs/dbraw/zinc/46/55/55/386465555.db2.gz XESNAXDUGUBZCF-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000278731931 386575728 /nfs/dbraw/zinc/57/57/28/386575728.db2.gz UINCKWHSISLATD-NSHDSACASA-N 1 2 235.331 1.909 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1cncc(Cl)n1 ZINC000062329077 386579799 /nfs/dbraw/zinc/57/97/99/386579799.db2.gz COXAECIESJNIMF-UHFFFAOYSA-N 1 2 237.694 1.500 20 0 BDADLO CCCc1occc1C(=O)NCc1c[nH+]c[nH]1 ZINC000337019995 386584543 /nfs/dbraw/zinc/58/45/43/386584543.db2.gz QBDNXXFFTFXCDI-UHFFFAOYSA-N 1 2 233.271 1.885 20 0 BDADLO CCCc1occc1C(=O)NCc1c[nH]c[nH+]1 ZINC000337019995 386584546 /nfs/dbraw/zinc/58/45/46/386584546.db2.gz QBDNXXFFTFXCDI-UHFFFAOYSA-N 1 2 233.271 1.885 20 0 BDADLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccco1 ZINC000187710646 386585047 /nfs/dbraw/zinc/58/50/47/386585047.db2.gz MKVUQCMZBWCLNV-QMMMGPOBSA-N 1 2 234.255 1.822 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cscn1 ZINC000062660431 386589353 /nfs/dbraw/zinc/58/93/53/386589353.db2.gz YOHAJXISOYFUBF-QMMMGPOBSA-N 1 2 236.300 1.158 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)C[C@H](C)OC ZINC000353224598 386533003 /nfs/dbraw/zinc/53/30/03/386533003.db2.gz YYLUIPOWVHWRMQ-JTQLQIEISA-N 1 2 240.351 1.463 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)C[C@H](C)OC ZINC000353224598 386533006 /nfs/dbraw/zinc/53/30/06/386533006.db2.gz YYLUIPOWVHWRMQ-JTQLQIEISA-N 1 2 240.351 1.463 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000061800922 386535484 /nfs/dbraw/zinc/53/54/84/386535484.db2.gz SCZSHLHHOQYKJF-JTQLQIEISA-N 1 2 207.273 1.852 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000061800922 386535490 /nfs/dbraw/zinc/53/54/90/386535490.db2.gz SCZSHLHHOQYKJF-JTQLQIEISA-N 1 2 207.273 1.852 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000408372204 386536160 /nfs/dbraw/zinc/53/61/60/386536160.db2.gz BOIOJSRKWUHXJH-GFCCVEGCSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000408372204 386536167 /nfs/dbraw/zinc/53/61/67/386536167.db2.gz BOIOJSRKWUHXJH-GFCCVEGCSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)[C@H](NC(=O)c1cncnc1)c1[nH]cc[nH+]1 ZINC000278537907 386543119 /nfs/dbraw/zinc/54/31/19/386543119.db2.gz FCKCDXGZSCFRBR-JTQLQIEISA-N 1 2 245.286 1.327 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CSC2(C)C)c[nH+]1 ZINC000278563733 386548525 /nfs/dbraw/zinc/54/85/25/386548525.db2.gz HSTBHHVNRUPIEW-QMMMGPOBSA-N 1 2 225.317 1.342 20 0 BDADLO Cn1c2c(cccc2F)[nH]c1=[NH+][C@H]1CCOC1 ZINC000336930592 386551706 /nfs/dbraw/zinc/55/17/06/386551706.db2.gz PHRGMDCVJCODLN-QMMMGPOBSA-N 1 2 235.262 1.335 20 0 BDADLO NC(=O)C[N@H+](Cc1ccns1)C1CCCC1 ZINC000637899669 386552845 /nfs/dbraw/zinc/55/28/45/386552845.db2.gz RPLNMWJMEDALOQ-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO NC(=O)C[N@@H+](Cc1ccns1)C1CCCC1 ZINC000637899669 386552851 /nfs/dbraw/zinc/55/28/51/386552851.db2.gz RPLNMWJMEDALOQ-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)C1 ZINC000278646841 386560951 /nfs/dbraw/zinc/56/09/51/386560951.db2.gz OIDZGLQOQIJINS-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cccnc2)C1 ZINC000267628591 386561793 /nfs/dbraw/zinc/56/17/93/386561793.db2.gz GDSNTMJGGCPLSP-GFCCVEGCSA-N 1 2 238.262 1.169 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cccnc2)C1 ZINC000267628591 386561797 /nfs/dbraw/zinc/56/17/97/386561797.db2.gz GDSNTMJGGCPLSP-GFCCVEGCSA-N 1 2 238.262 1.169 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCC(C)C ZINC000278671292 386565135 /nfs/dbraw/zinc/56/51/35/386565135.db2.gz PUDVGRJNKDDCJY-UHFFFAOYSA-N 1 2 223.320 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCCC(C)C ZINC000278671292 386565140 /nfs/dbraw/zinc/56/51/40/386565140.db2.gz PUDVGRJNKDDCJY-UHFFFAOYSA-N 1 2 223.320 1.813 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1C[C@@](C)(O)C1 ZINC000520252902 386619103 /nfs/dbraw/zinc/61/91/03/386619103.db2.gz KNDBPPJVLBOFBC-JGZJWPJOSA-N 1 2 207.277 1.419 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000184777787 386623222 /nfs/dbraw/zinc/62/32/22/386623222.db2.gz RLJBCSNMQLNWBD-SNVBAGLBSA-N 1 2 223.320 1.751 20 0 BDADLO CC(C)[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)CS1 ZINC000336758062 386625425 /nfs/dbraw/zinc/62/54/25/386625425.db2.gz KJLSWWIZXPDWFP-BDAKNGLRSA-N 1 2 239.331 1.734 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)C[C@H]1F ZINC000335499676 386626130 /nfs/dbraw/zinc/62/61/30/386626130.db2.gz JSMFJZALAYRODT-MWLCHTKSSA-N 1 2 208.236 1.499 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCOC1)c1nc(C(C)(C)C)no1 ZINC000179253858 386628217 /nfs/dbraw/zinc/62/82/17/386628217.db2.gz OZQFVFCTLQZRSI-BDAKNGLRSA-N 1 2 239.319 1.807 20 0 BDADLO CC[C@@H](C)C[S@](=O)Cc1c[nH+]cn1C ZINC000268186985 386629132 /nfs/dbraw/zinc/62/91/32/386629132.db2.gz UZBNJXSIIOKJHC-OTYXRUKQSA-N 1 2 214.334 1.715 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC000190746477 386631751 /nfs/dbraw/zinc/63/17/51/386631751.db2.gz WORDYGYBYOVGDM-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO COC[C@@H](Nc1cc[nH+]c(C)n1)[C@@H]1CCCO1 ZINC000279114970 386633105 /nfs/dbraw/zinc/63/31/05/386633105.db2.gz PNWWVYGVNUQCSF-MNOVXSKESA-N 1 2 237.303 1.391 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cncn1CC ZINC000417745636 386637005 /nfs/dbraw/zinc/63/70/05/386637005.db2.gz OJRBFVDQULHKTO-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cncn1CC ZINC000417745636 386637018 /nfs/dbraw/zinc/63/70/18/386637018.db2.gz OJRBFVDQULHKTO-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1Cc1c[nH+]cn1CC ZINC000417745636 386637023 /nfs/dbraw/zinc/63/70/23/386637023.db2.gz OJRBFVDQULHKTO-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)(C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335511415 386645613 /nfs/dbraw/zinc/64/56/13/386645613.db2.gz UJKDKHBEUHXBGC-SECBINFHSA-N 1 2 236.319 1.296 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC23CC3)c2[nH+]ccn21 ZINC000644961844 386646570 /nfs/dbraw/zinc/64/65/70/386646570.db2.gz RUNTWPUODHRNDN-UTLUCORTSA-N 1 2 246.314 1.741 20 0 BDADLO O=C1CCc2cc(NCc3[nH]cc[nH+]3)ccc2N1 ZINC000049715340 386656199 /nfs/dbraw/zinc/65/61/99/386656199.db2.gz AFDCRMAWZFHOIN-UHFFFAOYSA-N 1 2 242.282 1.907 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@H](C)CC(C)C)CCOC1 ZINC000337198666 386648241 /nfs/dbraw/zinc/64/82/41/386648241.db2.gz ZVSNGFKNTFIDER-DGCLKSJQSA-N 1 2 243.347 1.590 20 0 BDADLO CC(C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268386377 386649047 /nfs/dbraw/zinc/64/90/47/386649047.db2.gz OVEMHBIFUFBBAF-RYUDHWBXSA-N 1 2 235.331 1.949 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292313905 386650160 /nfs/dbraw/zinc/65/01/60/386650160.db2.gz DYGYNJILAHBLLK-SNVBAGLBSA-N 1 2 235.283 1.443 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292313905 386650167 /nfs/dbraw/zinc/65/01/67/386650167.db2.gz DYGYNJILAHBLLK-SNVBAGLBSA-N 1 2 235.283 1.443 20 0 BDADLO Cc1ccc(CN(C)C(=O)CCc2[nH]cc[nH+]2)o1 ZINC000279220703 386650818 /nfs/dbraw/zinc/65/08/18/386650818.db2.gz OZNJQGUQBVHZDE-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@]2(C)CCCS2)c[nH+]1 ZINC000268430364 386651705 /nfs/dbraw/zinc/65/17/05/386651705.db2.gz MZBNHQPMUZUTFZ-NSHDSACASA-N 1 2 239.344 1.734 20 0 BDADLO CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000279237457 386653756 /nfs/dbraw/zinc/65/37/56/386653756.db2.gz RDHNMPLZWATHAL-JTQLQIEISA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ncnn2C)CCCO1 ZINC000339810417 386653971 /nfs/dbraw/zinc/65/39/71/386653971.db2.gz FRHHVAYDJJSLLS-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ncnn2C)CCCO1 ZINC000339810417 386653972 /nfs/dbraw/zinc/65/39/72/386653972.db2.gz FRHHVAYDJJSLLS-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO C=Cn1cc(C[NH2+][C@H](C)c2nnc(CC)[nH]2)cn1 ZINC000278884513 386600465 /nfs/dbraw/zinc/60/04/65/386600465.db2.gz OMPIQSJBWBSISR-SECBINFHSA-N 1 2 246.318 1.515 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@]1(C)CCCO1 ZINC000267959434 386604960 /nfs/dbraw/zinc/60/49/60/386604960.db2.gz PNJAYAZPAFBWJC-ZDUSSCGKSA-N 1 2 249.314 1.655 20 0 BDADLO CCc1ncc(C[N@@H+](CC)C2COC2)cn1 ZINC000414463257 386611104 /nfs/dbraw/zinc/61/11/04/386611104.db2.gz GLHCQCFJYHGTEC-UHFFFAOYSA-N 1 2 221.304 1.260 20 0 BDADLO CCc1ncc(C[N@H+](CC)C2COC2)cn1 ZINC000414463257 386611114 /nfs/dbraw/zinc/61/11/14/386611114.db2.gz GLHCQCFJYHGTEC-UHFFFAOYSA-N 1 2 221.304 1.260 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335494484 386613252 /nfs/dbraw/zinc/61/32/52/386613252.db2.gz JORHYOSPPOVFNH-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335494484 386613258 /nfs/dbraw/zinc/61/32/58/386613258.db2.gz JORHYOSPPOVFNH-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1ccc(NC(=O)NC[C@@H](O)C2CC2)c(C)[nH+]1 ZINC000268047188 386614355 /nfs/dbraw/zinc/61/43/55/386614355.db2.gz XQHNARHXRBQOKL-GFCCVEGCSA-N 1 2 249.314 1.591 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@@H](C)[C@H](C)O1 ZINC000525872196 386615563 /nfs/dbraw/zinc/61/55/63/386615563.db2.gz MMQOHCDGBGWWSI-VWYCJHECSA-N 1 2 239.315 1.770 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@@H](C)[C@H](C)O1 ZINC000525872196 386615573 /nfs/dbraw/zinc/61/55/73/386615573.db2.gz MMQOHCDGBGWWSI-VWYCJHECSA-N 1 2 239.315 1.770 20 0 BDADLO Cc1cc(C[N@@H+](C)C2(C(N)=O)CCCC2)no1 ZINC000120202143 386663434 /nfs/dbraw/zinc/66/34/34/386663434.db2.gz NIGKOICOCRNVEB-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cc(C[N@H+](C)C2(C(N)=O)CCCC2)no1 ZINC000120202143 386663437 /nfs/dbraw/zinc/66/34/37/386663437.db2.gz NIGKOICOCRNVEB-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c[nH+]1 ZINC000268592030 386668761 /nfs/dbraw/zinc/66/87/61/386668761.db2.gz OTAPJOCFBKARAT-UMNHJUIQSA-N 1 2 249.314 1.406 20 0 BDADLO COCc1nnc(N(C)Cc2[nH]cc[nH+]2)s1 ZINC000428130976 386668910 /nfs/dbraw/zinc/66/89/10/386668910.db2.gz NBMQBXILDBWXEO-UHFFFAOYSA-N 1 2 239.304 1.044 20 0 BDADLO CC[C@H](C)C[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000645356941 386674458 /nfs/dbraw/zinc/67/44/58/386674458.db2.gz PVWZUTNBTKFGJE-GXSJLCMTSA-N 1 2 223.320 1.994 20 0 BDADLO COC(=O)[C@H](CC(C)C)N(C)Cc1c[nH+]c[nH]1 ZINC000292486027 386676799 /nfs/dbraw/zinc/67/67/99/386676799.db2.gz SODMDKJUTRIYNN-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO COC(=O)[C@H](CC(C)C)N(C)Cc1c[nH]c[nH+]1 ZINC000292486027 386676804 /nfs/dbraw/zinc/67/68/04/386676804.db2.gz SODMDKJUTRIYNN-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO CC(C)CN1CCN(c2cccc[nH+]2)[C@H](C)C1=O ZINC000335530823 386681736 /nfs/dbraw/zinc/68/17/36/386681736.db2.gz YSDHDXRGIDONOO-GFCCVEGCSA-N 1 2 247.342 1.775 20 0 BDADLO Cl/C=C(\Cl)C[N@@H+]1CCn2cnnc2C1 ZINC000268679704 386681818 /nfs/dbraw/zinc/68/18/18/386681818.db2.gz NTIZKEWQTFEMPC-CLTKARDFSA-N 1 2 233.102 1.413 20 0 BDADLO Cl/C=C(\Cl)C[N@H+]1CCn2cnnc2C1 ZINC000268679704 386681823 /nfs/dbraw/zinc/68/18/23/386681823.db2.gz NTIZKEWQTFEMPC-CLTKARDFSA-N 1 2 233.102 1.413 20 0 BDADLO CO[C@@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000292377629 386657816 /nfs/dbraw/zinc/65/78/16/386657816.db2.gz HBHVQJRTBSJNKN-GFUIURDCSA-N 1 2 249.314 1.354 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414473517 386658460 /nfs/dbraw/zinc/65/84/60/386658460.db2.gz VROWNWILBSIHMN-LBPRGKRZSA-N 1 2 239.290 1.866 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000414473517 386658467 /nfs/dbraw/zinc/65/84/67/386658467.db2.gz VROWNWILBSIHMN-LBPRGKRZSA-N 1 2 239.290 1.866 20 0 BDADLO Cn1cnc(CCCNc2cccc[nH+]2)n1 ZINC000645325350 386683352 /nfs/dbraw/zinc/68/33/52/386683352.db2.gz CYDPBQYKJQQNTM-UHFFFAOYSA-N 1 2 217.276 1.255 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCn2cccn2)[nH]1 ZINC000292536494 386686775 /nfs/dbraw/zinc/68/67/75/386686775.db2.gz POGQKBPCUBLIKR-UHFFFAOYSA-N 1 2 248.334 1.257 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCn2cccn2)[nH]1 ZINC000292536494 386686777 /nfs/dbraw/zinc/68/67/77/386686777.db2.gz POGQKBPCUBLIKR-UHFFFAOYSA-N 1 2 248.334 1.257 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357013305 386687184 /nfs/dbraw/zinc/68/71/84/386687184.db2.gz LEDFEAOJIHACIC-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357013305 386687189 /nfs/dbraw/zinc/68/71/89/386687189.db2.gz LEDFEAOJIHACIC-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCc1noc(C[N@H+](CC)C[C@H](C)OC)n1 ZINC000643420661 386687232 /nfs/dbraw/zinc/68/72/32/386687232.db2.gz MXGDHMXHLSQSQY-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO CCc1noc(C[N@@H+](CC)C[C@H](C)OC)n1 ZINC000643420661 386687236 /nfs/dbraw/zinc/68/72/36/386687236.db2.gz MXGDHMXHLSQSQY-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO COC(C)(C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000279529708 386694143 /nfs/dbraw/zinc/69/41/43/386694143.db2.gz PCJXQZAGHLGLPH-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1(C(F)F)CC1 ZINC000337264943 386694768 /nfs/dbraw/zinc/69/47/68/386694768.db2.gz SWVVHCYUTOVOEO-UHFFFAOYSA-N 1 2 229.230 1.187 20 0 BDADLO CCc1ccc(C[N@H+](CC)CC(=O)N(C)C)nc1 ZINC000645076685 386703898 /nfs/dbraw/zinc/70/38/98/386703898.db2.gz BINXSFKPGAVJIJ-UHFFFAOYSA-N 1 2 249.358 1.554 20 0 BDADLO CCc1ccc(C[N@@H+](CC)CC(=O)N(C)C)nc1 ZINC000645076685 386703906 /nfs/dbraw/zinc/70/39/06/386703906.db2.gz BINXSFKPGAVJIJ-UHFFFAOYSA-N 1 2 249.358 1.554 20 0 BDADLO Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)nc[nH+]1 ZINC000450804119 386712464 /nfs/dbraw/zinc/71/24/64/386712464.db2.gz BUVJQVZGNQMLET-UPJWGTAASA-N 1 2 247.342 1.772 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)co1 ZINC000647960776 386731265 /nfs/dbraw/zinc/73/12/65/386731265.db2.gz IFACJCPFSPRWPO-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)co1 ZINC000647960776 386731269 /nfs/dbraw/zinc/73/12/69/386731269.db2.gz IFACJCPFSPRWPO-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191959057 386731264 /nfs/dbraw/zinc/73/12/64/386731264.db2.gz BQTSKHRQDPQHBM-VWYCJHECSA-N 1 2 231.336 1.467 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ncccc1F ZINC000527022077 386733109 /nfs/dbraw/zinc/73/31/09/386733109.db2.gz ZJIWGVCYPXKKTJ-UHFFFAOYSA-N 1 2 248.261 1.124 20 0 BDADLO O=C(CC1(O)CCCCC1)NCc1[nH]cc[nH+]1 ZINC000330493061 386736545 /nfs/dbraw/zinc/73/65/45/386736545.db2.gz LQMWJRPHUNMMQJ-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(n2cncn2)CC1 ZINC000352852936 386738125 /nfs/dbraw/zinc/73/81/25/386738125.db2.gz JJPOPDMVRNPTMO-UHFFFAOYSA-N 1 2 246.318 1.147 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@](C)(O)C(F)(F)F ZINC000330390767 386712722 /nfs/dbraw/zinc/71/27/22/386712722.db2.gz OSTMZELGIPBCGD-QMMMGPOBSA-N 1 2 237.225 1.155 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@](C)(O)C(F)(F)F ZINC000330390767 386712729 /nfs/dbraw/zinc/71/27/29/386712729.db2.gz OSTMZELGIPBCGD-QMMMGPOBSA-N 1 2 237.225 1.155 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)CC(C)(C)O ZINC000279655276 386714547 /nfs/dbraw/zinc/71/45/47/386714547.db2.gz XXJFOCZDMWWKFI-UHFFFAOYSA-N 1 2 237.303 1.247 20 0 BDADLO CCCCOCC[N@H+](C)[C@@H](C)C(=O)OCC ZINC000353647905 386718390 /nfs/dbraw/zinc/71/83/90/386718390.db2.gz HZPBJYHPIMSXOY-NSHDSACASA-N 1 2 231.336 1.687 20 0 BDADLO CCCCOCC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000353647905 386718396 /nfs/dbraw/zinc/71/83/96/386718396.db2.gz HZPBJYHPIMSXOY-NSHDSACASA-N 1 2 231.336 1.687 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CCOCC1 ZINC000330460065 386718729 /nfs/dbraw/zinc/71/87/29/386718729.db2.gz QOUUTHUGYFYOPV-SECBINFHSA-N 1 2 237.303 1.089 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CCOCC1 ZINC000330460065 386718736 /nfs/dbraw/zinc/71/87/36/386718736.db2.gz QOUUTHUGYFYOPV-SECBINFHSA-N 1 2 237.303 1.089 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000279679800 386720915 /nfs/dbraw/zinc/72/09/15/386720915.db2.gz PSTRQRNRWSFCOW-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCO[C@H](C)C1 ZINC000279679800 386720922 /nfs/dbraw/zinc/72/09/22/386720922.db2.gz PSTRQRNRWSFCOW-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CCOCC1 ZINC000330461442 386721770 /nfs/dbraw/zinc/72/17/70/386721770.db2.gz SFKFKJUHVODPEG-SECBINFHSA-N 1 2 237.303 1.089 20 0 BDADLO CC(C)n1nccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000279715227 386726527 /nfs/dbraw/zinc/72/65/27/386726527.db2.gz UFAYAZSQVGEEBH-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)n1nccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000279715227 386726533 /nfs/dbraw/zinc/72/65/33/386726533.db2.gz UFAYAZSQVGEEBH-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000268967845 386727131 /nfs/dbraw/zinc/72/71/31/386727131.db2.gz LMYBPVVQEFIGNO-NWDGAFQWSA-N 1 2 219.284 1.647 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000268967845 386727136 /nfs/dbraw/zinc/72/71/36/386727136.db2.gz LMYBPVVQEFIGNO-NWDGAFQWSA-N 1 2 219.284 1.647 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000334154079 386752377 /nfs/dbraw/zinc/75/23/77/386752377.db2.gz QGOCWALVPSYLBO-HTRCEHHLSA-N 1 2 240.225 1.299 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000334154079 386752378 /nfs/dbraw/zinc/75/23/78/386752378.db2.gz QGOCWALVPSYLBO-HTRCEHHLSA-N 1 2 240.225 1.299 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000334152821 386752392 /nfs/dbraw/zinc/75/23/92/386752392.db2.gz MYAWWZARWIJLDT-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000334152821 386752393 /nfs/dbraw/zinc/75/23/93/386752393.db2.gz MYAWWZARWIJLDT-AAEUAGOBSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000334152822 386752953 /nfs/dbraw/zinc/75/29/53/386752953.db2.gz MYAWWZARWIJLDT-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000334152822 386752958 /nfs/dbraw/zinc/75/29/58/386752958.db2.gz MYAWWZARWIJLDT-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO NCC(F)(F)C[NH2+][C@H]1CCCSC1 ZINC000414931027 386757157 /nfs/dbraw/zinc/75/71/57/386757157.db2.gz QGTGUNJJUHACAP-ZETCQYMHSA-N 1 2 210.293 1.066 20 0 BDADLO Cc1noc([C@H]2CC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000344838446 386758647 /nfs/dbraw/zinc/75/86/47/386758647.db2.gz YLIAUPYCHYQOCY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1noc([C@H]2CC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000344838446 386758653 /nfs/dbraw/zinc/75/86/53/386758653.db2.gz YLIAUPYCHYQOCY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000292988670 386760905 /nfs/dbraw/zinc/76/09/05/386760905.db2.gz LWSNVFHDEDQPKH-RKDXNWHRSA-N 1 2 221.304 1.585 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000292988670 386760911 /nfs/dbraw/zinc/76/09/11/386760911.db2.gz LWSNVFHDEDQPKH-RKDXNWHRSA-N 1 2 221.304 1.585 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@](C)(CC)C2)cn1 ZINC000191151670 386766493 /nfs/dbraw/zinc/76/64/93/386766493.db2.gz KNMCOEXIKIHKNA-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@](C)(CC)C2)cn1 ZINC000191151670 386766499 /nfs/dbraw/zinc/76/64/99/386766499.db2.gz KNMCOEXIKIHKNA-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCNC1=O)c1c(F)cccc1F ZINC000269242746 386766819 /nfs/dbraw/zinc/76/68/19/386766819.db2.gz CDDAPFCIHBIECT-XCBNKYQSSA-N 1 2 240.253 1.504 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc[nH]1 ZINC000334634642 386767314 /nfs/dbraw/zinc/76/73/14/386767314.db2.gz VRMTUIHHSUMNEU-UHFFFAOYSA-N 1 2 230.271 1.800 20 0 BDADLO C[NH2+]Cc1noc(CO[C@H]2CCCC[C@@H]2C)n1 ZINC000414507103 386792072 /nfs/dbraw/zinc/79/20/72/386792072.db2.gz XTUMEDIIPRVING-UWVGGRQHSA-N 1 2 239.319 1.884 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000340778097 386772469 /nfs/dbraw/zinc/77/24/69/386772469.db2.gz NKVQBMDDFQWTKR-UWVGGRQHSA-N 1 2 231.299 1.623 20 0 BDADLO CC(C)n1ccc(NCc2[nH+]ccn2C)n1 ZINC000280033382 386772593 /nfs/dbraw/zinc/77/25/93/386772593.db2.gz LFMRRUOWGHIUMP-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000293060650 386773975 /nfs/dbraw/zinc/77/39/75/386773975.db2.gz SFCNPAMIHGYMGN-OIBJUYFYSA-N 1 2 236.319 1.305 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000293060650 386773982 /nfs/dbraw/zinc/77/39/82/386773982.db2.gz SFCNPAMIHGYMGN-OIBJUYFYSA-N 1 2 236.319 1.305 20 0 BDADLO COC(=O)C1([N@H+](C)Cc2ccno2)CCCC1 ZINC000269319713 386779629 /nfs/dbraw/zinc/77/96/29/386779629.db2.gz LQBDLSRQVDKWEO-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO COC(=O)C1([N@@H+](C)Cc2ccno2)CCCC1 ZINC000269319713 386779634 /nfs/dbraw/zinc/77/96/34/386779634.db2.gz LQBDLSRQVDKWEO-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000339910984 386788764 /nfs/dbraw/zinc/78/87/64/386788764.db2.gz AGJYJJLXDBCISF-NXEZZACHSA-N 1 2 219.288 1.082 20 0 BDADLO Cc1nc(N2C[C@H](CO)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000357669450 386824703 /nfs/dbraw/zinc/82/47/03/386824703.db2.gz CRVFUZWTLZSQTC-PRHODGIISA-N 1 2 235.331 1.466 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000125333278 386797290 /nfs/dbraw/zinc/79/72/90/386797290.db2.gz DDGSJFVECKYVHL-RKDXNWHRSA-N 1 2 223.276 1.014 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000125335731 386797935 /nfs/dbraw/zinc/79/79/35/386797935.db2.gz VKHGQMCEWHPIBE-BDAKNGLRSA-N 1 2 239.344 1.873 20 0 BDADLO Cc1nc(C)c(CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000329754201 386800788 /nfs/dbraw/zinc/80/07/88/386800788.db2.gz KQQRFHOMBVZNEP-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncoc1C1CC1 ZINC000293351806 386805177 /nfs/dbraw/zinc/80/51/77/386805177.db2.gz XQDFOPPWFYPHBH-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC3(C2)CCCCC3)n1 ZINC000192985930 386805511 /nfs/dbraw/zinc/80/55/11/386805511.db2.gz DCLMRTPEAHQGFE-UHFFFAOYSA-N 1 2 235.335 1.366 20 0 BDADLO Cn1nnc(C[N@H+]2CCC3(C2)CCCCC3)n1 ZINC000192985930 386805518 /nfs/dbraw/zinc/80/55/18/386805518.db2.gz DCLMRTPEAHQGFE-UHFFFAOYSA-N 1 2 235.335 1.366 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000344865999 386807211 /nfs/dbraw/zinc/80/72/11/386807211.db2.gz MXZPNZFPZCNVFD-IUCAKERBSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@@H](F)C[C@H]2CO)s1 ZINC000344865999 386807216 /nfs/dbraw/zinc/80/72/16/386807216.db2.gz MXZPNZFPZCNVFD-IUCAKERBSA-N 1 2 244.335 1.610 20 0 BDADLO Cc1cc(N2CC(C)(O)C2)nc(C2CC2)[nH+]1 ZINC000344936108 386809199 /nfs/dbraw/zinc/80/91/99/386809199.db2.gz DXSREANPGCFSBP-UHFFFAOYSA-N 1 2 219.288 1.233 20 0 BDADLO Cc1cc(NCc2ncccc2N(C)C)nc[nH+]1 ZINC000357616985 386815528 /nfs/dbraw/zinc/81/55/28/386815528.db2.gz KWGXOJCAHBPFFV-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO Cc1ccc2[nH+]c(CNCc3cc[nH]n3)cn2c1 ZINC000341015472 386815822 /nfs/dbraw/zinc/81/58/22/386815822.db2.gz QUWSGBIMGIEKAK-UHFFFAOYSA-N 1 2 241.298 1.656 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn2c(cccc2C)n1 ZINC000293501686 386825972 /nfs/dbraw/zinc/82/59/72/386825972.db2.gz HKFCSJPSESGHDE-CYBMUJFWSA-N 1 2 245.326 1.863 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn2c(cccc2C)n1 ZINC000293501686 386825978 /nfs/dbraw/zinc/82/59/78/386825978.db2.gz HKFCSJPSESGHDE-CYBMUJFWSA-N 1 2 245.326 1.863 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293348552 386826756 /nfs/dbraw/zinc/82/67/56/386826756.db2.gz ZDPJUYUDXBMICQ-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293348552 386826757 /nfs/dbraw/zinc/82/67/57/386826757.db2.gz ZDPJUYUDXBMICQ-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO COc1ncncc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000648006246 386830829 /nfs/dbraw/zinc/83/08/29/386830829.db2.gz SPPHMKKLBWCAJJ-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000648006246 386830837 /nfs/dbraw/zinc/83/08/37/386830837.db2.gz SPPHMKKLBWCAJJ-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO CCC1CC[NH+](Cc2nc(COC)no2)CC1 ZINC000330698673 386835112 /nfs/dbraw/zinc/83/51/12/386835112.db2.gz LUFMFBSDOWJOBE-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)NC(C)(C)C)c2[nH+]ccn21 ZINC000334782524 386840887 /nfs/dbraw/zinc/84/08/87/386840887.db2.gz FWZZNBAJRUMZLW-DTWKUNHWSA-N 1 2 236.319 1.987 20 0 BDADLO CC1(C)C(CNC(=O)Cn2cc[nH+]c2)C1(C)C ZINC000280723751 386841019 /nfs/dbraw/zinc/84/10/19/386841019.db2.gz YOMUHAXRXUGHHQ-UHFFFAOYSA-N 1 2 235.331 1.682 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000334785518 386845370 /nfs/dbraw/zinc/84/53/70/386845370.db2.gz JUELQWPEDITXCC-IUCAKERBSA-N 1 2 210.302 1.673 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000334785518 386845378 /nfs/dbraw/zinc/84/53/78/386845378.db2.gz JUELQWPEDITXCC-IUCAKERBSA-N 1 2 210.302 1.673 20 0 BDADLO CCOC[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000301499036 386848045 /nfs/dbraw/zinc/84/80/45/386848045.db2.gz WAKZHOCUUQXJOV-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO Cc1cnn([C@H]2CCN(c3cc(C)[nH+]cn3)C2)c1 ZINC000357829397 386850578 /nfs/dbraw/zinc/85/05/78/386850578.db2.gz SAYQWDFIVGZZNW-LBPRGKRZSA-N 1 2 243.314 1.741 20 0 BDADLO Cc1cncc(CCC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000293861935 386891666 /nfs/dbraw/zinc/89/16/66/386891666.db2.gz UNZYZERRXWFHCL-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330676315 386854195 /nfs/dbraw/zinc/85/41/95/386854195.db2.gz UAOOURVCBUUDRP-SCZZXKLOSA-N 1 2 249.314 1.313 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330676315 386854199 /nfs/dbraw/zinc/85/41/99/386854199.db2.gz UAOOURVCBUUDRP-SCZZXKLOSA-N 1 2 249.314 1.313 20 0 BDADLO COC[C@@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301598534 386858195 /nfs/dbraw/zinc/85/81/95/386858195.db2.gz UABFYXYQEGWSFR-VIFPVBQESA-N 1 2 239.319 1.193 20 0 BDADLO CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341234761 386858436 /nfs/dbraw/zinc/85/84/36/386858436.db2.gz FAOONLBFGOPKRL-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C=CCCC1 ZINC000341244215 386865178 /nfs/dbraw/zinc/86/51/78/386865178.db2.gz WOVRCDPCPXUPEB-RYUDHWBXSA-N 1 2 248.330 1.680 20 0 BDADLO CCC1(c2nc(Cc3c[nH+]cn3C)no2)CC1 ZINC000357949629 386869880 /nfs/dbraw/zinc/86/98/80/386869880.db2.gz OWUGUACKAQVAMR-UHFFFAOYSA-N 1 2 232.287 1.836 20 0 BDADLO CO[C@H](c1noc(C[NH+](C)C)n1)C1CC1 ZINC000341274910 386874676 /nfs/dbraw/zinc/87/46/76/386874676.db2.gz SXGNXYYLTHMRIL-VIFPVBQESA-N 1 2 211.265 1.229 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H](C)[S@@]1=O ZINC000335751283 386876746 /nfs/dbraw/zinc/87/67/46/386876746.db2.gz MXWIMJXNLNKKKV-CULMDFNYSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H](C)[S@@]1=O ZINC000335751283 386876750 /nfs/dbraw/zinc/87/67/50/386876750.db2.gz MXWIMJXNLNKKKV-CULMDFNYSA-N 1 2 240.372 1.366 20 0 BDADLO Cc1cnc(NCc2ccc[nH+]c2N(C)C)nc1 ZINC000301801963 386879572 /nfs/dbraw/zinc/87/95/72/386879572.db2.gz ABSRSOPILIZSGO-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO COC[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301816961 386879786 /nfs/dbraw/zinc/87/97/86/386879786.db2.gz HPVRIBRJGWTDNB-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO COC[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301816961 386879790 /nfs/dbraw/zinc/87/97/90/386879790.db2.gz HPVRIBRJGWTDNB-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO Cc1c[nH+]c(CN[C@H]2CCCc3c[nH]nc32)n1C ZINC000341287414 386879818 /nfs/dbraw/zinc/87/98/18/386879818.db2.gz QKIHZQOJSCEQRN-NSHDSACASA-N 1 2 245.330 1.619 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000418110071 386883288 /nfs/dbraw/zinc/88/32/88/386883288.db2.gz DJNVYABOUDINHE-VHSXEESVSA-N 1 2 229.320 1.484 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000301880750 386887210 /nfs/dbraw/zinc/88/72/10/386887210.db2.gz ZSEWCLBBNLBYJR-QWRGUYRKSA-N 1 2 221.304 1.382 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccoc2C)[C@@H](C)C1 ZINC000334842881 386887723 /nfs/dbraw/zinc/88/77/23/386887723.db2.gz YTGXUMFJVLEAOD-JTQLQIEISA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccoc2C)[C@@H](C)C1 ZINC000334842881 386887727 /nfs/dbraw/zinc/88/77/27/386887727.db2.gz YTGXUMFJVLEAOD-JTQLQIEISA-N 1 2 236.315 1.641 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)NC1CCC1 ZINC000331831609 386914778 /nfs/dbraw/zinc/91/47/78/386914778.db2.gz DRFWQDNWLGLXRE-UHFFFAOYSA-N 1 2 248.330 1.499 20 0 BDADLO O=C(CCOCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000358159474 386902808 /nfs/dbraw/zinc/90/28/08/386902808.db2.gz BZYOPJSUHSNLIV-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000335764178 386904280 /nfs/dbraw/zinc/90/42/80/386904280.db2.gz MZXDFFRDJMRPNL-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000335764178 386904285 /nfs/dbraw/zinc/90/42/85/386904285.db2.gz MZXDFFRDJMRPNL-XXFAHNHDSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@H](n3cccn3)C2)n1 ZINC000331792580 386905658 /nfs/dbraw/zinc/90/56/58/386905658.db2.gz IDCKRVBLZWQTNM-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@H](n3cccn3)C2)n1 ZINC000331792580 386905661 /nfs/dbraw/zinc/90/56/61/386905661.db2.gz IDCKRVBLZWQTNM-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cccnc1 ZINC000358186910 386909837 /nfs/dbraw/zinc/90/98/37/386909837.db2.gz JILGXPKARGAVOH-VIFPVBQESA-N 1 2 244.302 1.254 20 0 BDADLO CCOCC[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352891397 386912633 /nfs/dbraw/zinc/91/26/33/386912633.db2.gz CRCFNOKTEYXCPC-ZIBATOQPSA-N 1 2 233.377 1.254 20 0 BDADLO CCOCC[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352891397 386912635 /nfs/dbraw/zinc/91/26/35/386912635.db2.gz CRCFNOKTEYXCPC-ZIBATOQPSA-N 1 2 233.377 1.254 20 0 BDADLO Cn1ncc2c1nc(NC1CC=CC1)[nH+]c2N ZINC000302521673 386925677 /nfs/dbraw/zinc/92/56/77/386925677.db2.gz BWZJUXAWNPTFNZ-UHFFFAOYSA-N 1 2 230.275 1.076 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)COC)c1[nH]cc[nH+]1 ZINC000330958646 386930649 /nfs/dbraw/zinc/93/06/49/386930649.db2.gz AMHLXWASDCPQFW-RKDXNWHRSA-N 1 2 225.292 1.260 20 0 BDADLO CO[C@H]1CCC[C@@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000341603390 386931024 /nfs/dbraw/zinc/93/10/24/386931024.db2.gz AEUQOINTTMXRRX-KOLCDFICSA-N 1 2 237.303 1.263 20 0 BDADLO CC(=O)NC1CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302723671 386934575 /nfs/dbraw/zinc/93/45/75/386934575.db2.gz QQZRYJXLIKPESJ-UHFFFAOYSA-N 1 2 248.330 1.233 20 0 BDADLO COC[C@@H](O)CCNc1[nH+]ccc(C)c1Cl ZINC000336762756 386939947 /nfs/dbraw/zinc/93/99/47/386939947.db2.gz LOCCHYOKMZRTTM-VIFPVBQESA-N 1 2 244.722 1.853 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOCC1CCC1 ZINC000341676521 386941768 /nfs/dbraw/zinc/94/17/68/386941768.db2.gz MUMMZQPFCIADFG-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOCC1CCC1 ZINC000341676521 386941770 /nfs/dbraw/zinc/94/17/70/386941770.db2.gz MUMMZQPFCIADFG-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H](C)[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302906701 386944635 /nfs/dbraw/zinc/94/46/35/386944635.db2.gz XBRIQWSBBQUMQY-SFYZADRCSA-N 1 2 248.334 1.792 20 0 BDADLO C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)C1CCC1 ZINC000302903803 386944712 /nfs/dbraw/zinc/94/47/12/386944712.db2.gz UULOTOPNBMTHFS-ZETCQYMHSA-N 1 2 246.318 1.546 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC(C)(C)O)n1C1CC1 ZINC000304111518 386954523 /nfs/dbraw/zinc/95/45/23/386954523.db2.gz GANHFPACQLYHBS-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+](C)CC(C)(C)O)n1C1CC1 ZINC000304111518 386954528 /nfs/dbraw/zinc/95/45/28/386954528.db2.gz GANHFPACQLYHBS-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1C/C=C/Cl ZINC000368292385 386957686 /nfs/dbraw/zinc/95/76/86/386957686.db2.gz UIPZRZIVGVLEFH-YWNRKNDBSA-N 1 2 219.712 1.476 20 0 BDADLO COCC[C@H]1COCC[N@H+]1C/C=C/Cl ZINC000368292385 386957689 /nfs/dbraw/zinc/95/76/89/386957689.db2.gz UIPZRZIVGVLEFH-YWNRKNDBSA-N 1 2 219.712 1.476 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000334885507 386958354 /nfs/dbraw/zinc/95/83/54/386958354.db2.gz LKKDMPVBOAKSSJ-HTQZYQBOSA-N 1 2 239.344 1.942 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000334885507 386958360 /nfs/dbraw/zinc/95/83/60/386958360.db2.gz LKKDMPVBOAKSSJ-HTQZYQBOSA-N 1 2 239.344 1.942 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000334886133 386959110 /nfs/dbraw/zinc/95/91/10/386959110.db2.gz ZFBNAHIGMFARIE-BDAKNGLRSA-N 1 2 220.272 1.584 20 0 BDADLO CC[C@H]1c2cccn2CC[N@H+]1Cc1cnnn1C ZINC000368330069 386960094 /nfs/dbraw/zinc/96/00/94/386960094.db2.gz FYXASZJTXNOBJU-LBPRGKRZSA-N 1 2 245.330 1.584 20 0 BDADLO CC[C@H]1c2cccn2CC[N@@H+]1Cc1cnnn1C ZINC000368330069 386960098 /nfs/dbraw/zinc/96/00/98/386960098.db2.gz FYXASZJTXNOBJU-LBPRGKRZSA-N 1 2 245.330 1.584 20 0 BDADLO c1cc(C[N@@H+]2CCc3ncsc3C2)on1 ZINC000526088053 386965438 /nfs/dbraw/zinc/96/54/38/386965438.db2.gz INMNZXIQWUYQGS-UHFFFAOYSA-N 1 2 221.285 1.689 20 0 BDADLO c1cc(C[N@H+]2CCc3ncsc3C2)on1 ZINC000526088053 386965442 /nfs/dbraw/zinc/96/54/42/386965442.db2.gz INMNZXIQWUYQGS-UHFFFAOYSA-N 1 2 221.285 1.689 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccc(F)nc1)CC2 ZINC000368423721 386972420 /nfs/dbraw/zinc/97/24/20/386972420.db2.gz DTGKNGIADXYVNT-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccc(F)nc1)CC2 ZINC000368423721 386972425 /nfs/dbraw/zinc/97/24/25/386972425.db2.gz DTGKNGIADXYVNT-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000334904037 386978537 /nfs/dbraw/zinc/97/85/37/386978537.db2.gz XTFJIJQETWDGNU-ZJUUUORDSA-N 1 2 220.272 1.175 20 0 BDADLO COc1cc(C)[nH+]c(Cn2cc(C)cnc2=O)c1 ZINC000331234557 386997055 /nfs/dbraw/zinc/99/70/55/386997055.db2.gz CUDHBDTWRVFJDQ-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332655838 386998772 /nfs/dbraw/zinc/99/87/72/386998772.db2.gz FANRPNKQKUNQHG-GFCCVEGCSA-N 1 2 238.335 1.911 20 0 BDADLO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332655838 386998775 /nfs/dbraw/zinc/99/87/75/386998775.db2.gz FANRPNKQKUNQHG-GFCCVEGCSA-N 1 2 238.335 1.911 20 0 BDADLO Cc1cnn(CC[NH2+][C@@H](C)c2nc(C)no2)c1 ZINC000341899773 386998852 /nfs/dbraw/zinc/99/88/52/386998852.db2.gz GWVPRAXQVAXRLB-VIFPVBQESA-N 1 2 235.291 1.234 20 0 BDADLO CC[C@H](NC(=O)[C@@H](CO)C(C)C)c1[nH]cc[nH+]1 ZINC000331259884 387000183 /nfs/dbraw/zinc/00/01/83/387000183.db2.gz ATKDJOIYHDLZPN-UWVGGRQHSA-N 1 2 239.319 1.242 20 0 BDADLO CS[C@@H](C)CCC(=O)NCc1[nH+]ccn1C ZINC000358408966 386952100 /nfs/dbraw/zinc/95/21/00/386952100.db2.gz SYPGPJWNFYMRDJ-VIFPVBQESA-N 1 2 241.360 1.568 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000418035528 387060888 /nfs/dbraw/zinc/06/08/88/387060888.db2.gz VEOFRGCSLQPKAR-RISCZKNCSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000418035528 387060890 /nfs/dbraw/zinc/06/08/90/387060890.db2.gz VEOFRGCSLQPKAR-RISCZKNCSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000418035528 387060894 /nfs/dbraw/zinc/06/08/94/387060894.db2.gz VEOFRGCSLQPKAR-RISCZKNCSA-N 1 2 249.358 1.902 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000336222722 387061413 /nfs/dbraw/zinc/06/14/13/387061413.db2.gz DVIRCNMKPXYXDD-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000336222722 387061415 /nfs/dbraw/zinc/06/14/15/387061415.db2.gz DVIRCNMKPXYXDD-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO COC(=O)c1cnc([C@@H](C)[NH2+]CCF)s1 ZINC000314774093 387012408 /nfs/dbraw/zinc/01/24/08/387012408.db2.gz HRFUPJIIOSOLGO-ZCFIWIBFSA-N 1 2 232.280 1.550 20 0 BDADLO CS(=O)(=O)C1C[NH+](C[C@@H]2CC=CCC2)C1 ZINC000334935733 387012917 /nfs/dbraw/zinc/01/29/17/387012917.db2.gz OMQNLNHSVZERDR-SNVBAGLBSA-N 1 2 229.345 1.072 20 0 BDADLO CCc1nocc1C[NH+]1CC(C)(C(=O)OC)C1 ZINC000425374985 387014607 /nfs/dbraw/zinc/01/46/07/387014607.db2.gz RFYVQNIJZIKGJP-UHFFFAOYSA-N 1 2 238.287 1.232 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368886890 387016071 /nfs/dbraw/zinc/01/60/71/387016071.db2.gz FJIBSRGNMKFBIO-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368886890 387016073 /nfs/dbraw/zinc/01/60/73/387016073.db2.gz FJIBSRGNMKFBIO-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO COc1ncncc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000648022614 387019175 /nfs/dbraw/zinc/01/91/75/387019175.db2.gz RGXKEVFAUVYGBM-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COc1ncncc1C[N@H+]1CCOCC2(CC2)C1 ZINC000648022614 387019180 /nfs/dbraw/zinc/01/91/80/387019180.db2.gz RGXKEVFAUVYGBM-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO C[NH2+]Cc1noc([C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC000334883280 387025845 /nfs/dbraw/zinc/02/58/45/387025845.db2.gz VCACIYACGUXGDD-AKZRSSKFSA-N 1 2 207.277 1.477 20 0 BDADLO Cc1ccc2oc(=NCc3[nH+]ccn3C)[nH]c2c1 ZINC000358872862 387027927 /nfs/dbraw/zinc/02/79/27/387027927.db2.gz IVZOQQSKPLDOHZ-UHFFFAOYSA-N 1 2 242.282 1.904 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](F)C1 ZINC000334982326 387069825 /nfs/dbraw/zinc/06/98/25/387069825.db2.gz VPUHNBHVIYHXHH-SECBINFHSA-N 1 2 223.251 1.388 20 0 BDADLO CCn1c[nH+]cc1CNc1cc2n(n1)CCCC2 ZINC000418059460 387079486 /nfs/dbraw/zinc/07/94/86/387079486.db2.gz UGAIDBGBEYFDRM-UHFFFAOYSA-N 1 2 245.330 1.470 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCCC(C)C)C1 ZINC000418073776 387085777 /nfs/dbraw/zinc/08/57/77/387085777.db2.gz NATXPQJHKCZHCC-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO Cc1ccc(F)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070991251 387086294 /nfs/dbraw/zinc/08/62/94/387086294.db2.gz WCVGGLPGEZFCKK-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259799 387089680 /nfs/dbraw/zinc/08/96/80/387089680.db2.gz UNNQMOUDZTWFID-ZJUUUORDSA-N 1 2 228.311 1.478 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](F)C1 ZINC000336259799 387089682 /nfs/dbraw/zinc/08/96/82/387089682.db2.gz UNNQMOUDZTWFID-ZJUUUORDSA-N 1 2 228.311 1.478 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CCCO3)[nH+]c12 ZINC000335002745 387095889 /nfs/dbraw/zinc/09/58/89/387095889.db2.gz LARJEYSSTORCMO-UHFFFAOYSA-N 1 2 245.282 1.349 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H](F)C2)ccn1 ZINC000336262736 387096595 /nfs/dbraw/zinc/09/65/95/387096595.db2.gz NZALQGLFCVZWAA-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H](F)C2)ccn1 ZINC000336262736 387096601 /nfs/dbraw/zinc/09/66/01/387096601.db2.gz NZALQGLFCVZWAA-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO C[C@@](O)(C[N@@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263240 387097996 /nfs/dbraw/zinc/09/79/96/387097996.db2.gz YWZBSEPUVMJPGM-NKWVEPMBSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@@](O)(C[N@H+]1CC[C@H](F)C1)C(F)(F)F ZINC000336263240 387098004 /nfs/dbraw/zinc/09/80/04/387098004.db2.gz YWZBSEPUVMJPGM-NKWVEPMBSA-N 1 2 215.190 1.344 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000336267248 387101411 /nfs/dbraw/zinc/10/14/11/387101411.db2.gz ZQTHEZSABNFJIQ-VXGBXAGGSA-N 1 2 223.320 1.453 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)n(C)n1 ZINC000334947107 387108609 /nfs/dbraw/zinc/10/86/09/387108609.db2.gz FFRQPMLIQPMNSS-BXUZGUMPSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)n(C)n1 ZINC000334947107 387108613 /nfs/dbraw/zinc/10/86/13/387108613.db2.gz FFRQPMLIQPMNSS-BXUZGUMPSA-N 1 2 249.358 1.728 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nccc(C(F)F)n1 ZINC000359480620 387109970 /nfs/dbraw/zinc/10/99/70/387109970.db2.gz KNUIDXLEWLVOGL-UHFFFAOYSA-N 1 2 239.229 1.774 20 0 BDADLO CCCNC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069069616 387113286 /nfs/dbraw/zinc/11/32/86/387113286.db2.gz FTGABKLJAXCOMQ-SNVBAGLBSA-N 1 2 224.304 1.799 20 0 BDADLO CCCNC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069069616 387113292 /nfs/dbraw/zinc/11/32/92/387113292.db2.gz FTGABKLJAXCOMQ-SNVBAGLBSA-N 1 2 224.304 1.799 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069069550 387113698 /nfs/dbraw/zinc/11/36/98/387113698.db2.gz WNMJRNXZMZZACO-SNVBAGLBSA-N 1 2 224.304 1.797 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069069550 387113700 /nfs/dbraw/zinc/11/37/00/387113700.db2.gz WNMJRNXZMZZACO-SNVBAGLBSA-N 1 2 224.304 1.797 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000228922951 387126995 /nfs/dbraw/zinc/12/69/95/387126995.db2.gz JNRCHPTYSDKKLZ-SECBINFHSA-N 1 2 221.304 1.852 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@H](O)C1 ZINC000336299367 387128634 /nfs/dbraw/zinc/12/86/34/387128634.db2.gz ZKQBXXJLLWIIKG-SECBINFHSA-N 1 2 235.262 1.283 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119535168 387142218 /nfs/dbraw/zinc/14/22/18/387142218.db2.gz VCDFTGCSIWBNBD-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119535168 387142224 /nfs/dbraw/zinc/14/22/24/387142224.db2.gz VCDFTGCSIWBNBD-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ncccn3)C2)c1 ZINC000352390872 387144903 /nfs/dbraw/zinc/14/49/03/387144903.db2.gz HNYAONLMQCVJIM-GFCCVEGCSA-N 1 2 243.314 1.429 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ncccn3)C2)c1 ZINC000352390872 387144912 /nfs/dbraw/zinc/14/49/12/387144912.db2.gz HNYAONLMQCVJIM-GFCCVEGCSA-N 1 2 243.314 1.429 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2ccon2)no1 ZINC000353171415 387148045 /nfs/dbraw/zinc/14/80/45/387148045.db2.gz LNKBPVODPSXWAJ-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2ccon2)no1 ZINC000353171415 387148050 /nfs/dbraw/zinc/14/80/50/387148050.db2.gz LNKBPVODPSXWAJ-UHFFFAOYSA-N 1 2 222.248 1.041 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000353239479 387154666 /nfs/dbraw/zinc/15/46/66/387154666.db2.gz WQKPWJXESCIYRL-YUMQZZPRSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000353239479 387154671 /nfs/dbraw/zinc/15/46/71/387154671.db2.gz WQKPWJXESCIYRL-YUMQZZPRSA-N 1 2 213.281 1.406 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C[C@@H](C)OC ZINC000353200016 387155309 /nfs/dbraw/zinc/15/53/09/387155309.db2.gz HQVWIUIDFMPYRM-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C[C@@H](C)OC ZINC000353200016 387155312 /nfs/dbraw/zinc/15/53/12/387155312.db2.gz HQVWIUIDFMPYRM-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO COC1(C)CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000359727441 387157077 /nfs/dbraw/zinc/15/70/77/387157077.db2.gz JYTVVACPBRMSOU-UHFFFAOYSA-N 1 2 247.342 1.889 20 0 BDADLO CO[C@@H]1CCC[C@@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336331434 387158595 /nfs/dbraw/zinc/15/85/95/387158595.db2.gz XBNBMCVRNLTMAP-DGCLKSJQSA-N 1 2 248.326 1.956 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000352416677 387170693 /nfs/dbraw/zinc/17/06/93/387170693.db2.gz IJAQXPIUKWYSFW-LLVKDONJSA-N 1 2 238.335 1.155 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000352416677 387170698 /nfs/dbraw/zinc/17/06/98/387170698.db2.gz IJAQXPIUKWYSFW-LLVKDONJSA-N 1 2 238.335 1.155 20 0 BDADLO COc1ccc(C[NH2+]Cc2nccn2C)c(F)c1 ZINC000229742108 387193753 /nfs/dbraw/zinc/19/37/53/387193753.db2.gz BHMSJNGTZMPAMR-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO COCc1noc([C@H](C)[N@H+](C)C[C@@H](C)OC)n1 ZINC000353323583 387181595 /nfs/dbraw/zinc/18/15/95/387181595.db2.gz ZPEGFBXHINUFND-BDAKNGLRSA-N 1 2 243.307 1.244 20 0 BDADLO COCc1noc([C@H](C)[N@@H+](C)C[C@@H](C)OC)n1 ZINC000353323583 387181597 /nfs/dbraw/zinc/18/15/97/387181597.db2.gz ZPEGFBXHINUFND-BDAKNGLRSA-N 1 2 243.307 1.244 20 0 BDADLO COC(=O)c1cnoc1C[N@H+](C)[C@H]1CC1(C)C ZINC000352421003 387183137 /nfs/dbraw/zinc/18/31/37/387183137.db2.gz JFWSREAWFBNFBG-JTQLQIEISA-N 1 2 238.287 1.692 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000352421003 387183141 /nfs/dbraw/zinc/18/31/41/387183141.db2.gz JFWSREAWFBNFBG-JTQLQIEISA-N 1 2 238.287 1.692 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CC1CC1)CCC2 ZINC000371295935 387185724 /nfs/dbraw/zinc/18/57/24/387185724.db2.gz VWLHLSIJWXCTRJ-LBPRGKRZSA-N 1 2 247.342 1.985 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)n1 ZINC000336357942 387187734 /nfs/dbraw/zinc/18/77/34/387187734.db2.gz QYUMDLFPIOEPEV-LBPRGKRZSA-N 1 2 236.319 1.700 20 0 BDADLO Cn1ccc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)n1 ZINC000336357942 387187739 /nfs/dbraw/zinc/18/77/39/387187739.db2.gz QYUMDLFPIOEPEV-LBPRGKRZSA-N 1 2 236.319 1.700 20 0 BDADLO Cc1cc(NCC(C)(C)C(C)(C)O)nc[nH+]1 ZINC000393560660 259706198 /nfs/dbraw/zinc/70/61/98/259706198.db2.gz KBRXWDQOJDTYSU-UHFFFAOYSA-N 1 2 223.320 1.416 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458777705 387140674 /nfs/dbraw/zinc/14/06/74/387140674.db2.gz OVZWGVOYWALCCK-MWLCHTKSSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000336315923 387141251 /nfs/dbraw/zinc/14/12/51/387141251.db2.gz WVHVYRCXEMRTOL-JTQLQIEISA-N 1 2 231.315 1.034 20 0 BDADLO CC[N@@H+](Cc1c(F)ccc(O)c1F)C[C@H](C)O ZINC000353465253 387207855 /nfs/dbraw/zinc/20/78/55/387207855.db2.gz WQUNKSBCRCRABV-QMMMGPOBSA-N 1 2 245.269 1.873 20 0 BDADLO CC[N@H+](Cc1c(F)ccc(O)c1F)C[C@H](C)O ZINC000353465253 387207857 /nfs/dbraw/zinc/20/78/57/387207857.db2.gz WQUNKSBCRCRABV-QMMMGPOBSA-N 1 2 245.269 1.873 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)NC(C)C ZINC000113941521 387211996 /nfs/dbraw/zinc/21/19/96/387211996.db2.gz RUOXMOISXHRSFD-GFCCVEGCSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)NC(C)C ZINC000113941521 387211997 /nfs/dbraw/zinc/21/19/97/387211997.db2.gz RUOXMOISXHRSFD-GFCCVEGCSA-N 1 2 242.363 1.258 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360263006 387252998 /nfs/dbraw/zinc/25/29/98/387252998.db2.gz WKKLXOWEFPQQHB-WPRPVWTQSA-N 1 2 207.277 1.462 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360263006 387253002 /nfs/dbraw/zinc/25/30/02/387253002.db2.gz WKKLXOWEFPQQHB-WPRPVWTQSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCSC1 ZINC000353527266 387223416 /nfs/dbraw/zinc/22/34/16/387223416.db2.gz CCLVZTBTRRUJTJ-VHSXEESVSA-N 1 2 239.344 1.141 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@H](CO)O1 ZINC000230012084 387227444 /nfs/dbraw/zinc/22/74/44/387227444.db2.gz PZTSPVNLXCVCPK-JGOVJGDKSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@H](CO)O1 ZINC000230012084 387227448 /nfs/dbraw/zinc/22/74/48/387227448.db2.gz PZTSPVNLXCVCPK-JGOVJGDKSA-N 1 2 247.338 1.781 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@@H]2CCOC2)no1 ZINC000353627525 387244668 /nfs/dbraw/zinc/24/46/68/387244668.db2.gz WNJCUSHTQPHLIW-DTWKUNHWSA-N 1 2 241.291 1.046 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000069518892 387197128 /nfs/dbraw/zinc/19/71/28/387197128.db2.gz ZZMKBPJIGGLMLK-SNVBAGLBSA-N 1 2 236.315 1.893 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000069518892 387197133 /nfs/dbraw/zinc/19/71/33/387197133.db2.gz ZZMKBPJIGGLMLK-SNVBAGLBSA-N 1 2 236.315 1.893 20 0 BDADLO C[C@H](C(N)=O)[NH+]1CC(Cc2ccccc2F)C1 ZINC000371346749 387199146 /nfs/dbraw/zinc/19/91/46/387199146.db2.gz ZIMJRLRTPDULFE-SECBINFHSA-N 1 2 236.290 1.174 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cccc(CO)n1 ZINC000424712895 387257011 /nfs/dbraw/zinc/25/70/11/387257011.db2.gz DBCSOEBBVJULRK-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCOC1 ZINC000390469931 387258655 /nfs/dbraw/zinc/25/86/55/387258655.db2.gz IWANMZIGFNQWNN-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000230314073 387260755 /nfs/dbraw/zinc/26/07/55/387260755.db2.gz MAIBZJGXIHMOMH-RYUDHWBXSA-N 1 2 221.304 1.375 20 0 BDADLO CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000353701347 387261691 /nfs/dbraw/zinc/26/16/91/387261691.db2.gz FYXPRAUERNYPMF-BETUJISGSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000353701347 387261697 /nfs/dbraw/zinc/26/16/97/387261697.db2.gz FYXPRAUERNYPMF-BETUJISGSA-N 1 2 248.326 1.844 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3cccc(F)c3)[C@@H]12 ZINC000360334483 387266241 /nfs/dbraw/zinc/26/62/41/387266241.db2.gz KKJRUMAZRDWQAR-DGCLKSJQSA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3cccc(F)c3)[C@@H]12 ZINC000360334483 387266248 /nfs/dbraw/zinc/26/62/48/387266248.db2.gz KKJRUMAZRDWQAR-DGCLKSJQSA-N 1 2 249.285 1.963 20 0 BDADLO CSCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000520823346 387275396 /nfs/dbraw/zinc/27/53/96/387275396.db2.gz BKQFFYCYLYYZTL-UHFFFAOYSA-N 1 2 241.360 1.904 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c(C)cnn2C)s1 ZINC000393767611 387278499 /nfs/dbraw/zinc/27/84/99/387278499.db2.gz DUHCLVFFUQGNJN-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO C[C@@H](CC(=O)N(C)CC(C)(C)O)n1cc[nH+]c1 ZINC000572248469 387279169 /nfs/dbraw/zinc/27/91/69/387279169.db2.gz FWDODUOSQNCUGW-JTQLQIEISA-N 1 2 239.319 1.064 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)c1ncc[nH]1)n1cc[nH+]c1 ZINC000514738049 387284874 /nfs/dbraw/zinc/28/48/74/387284874.db2.gz DFWMRXZLJRNPHO-NXEZZACHSA-N 1 2 247.302 1.435 20 0 BDADLO CC(C)C[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193438730 387290090 /nfs/dbraw/zinc/29/00/90/387290090.db2.gz XHQBYTHCGCTHDX-NSHDSACASA-N 1 2 237.351 1.468 20 0 BDADLO CC(C)C[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193438730 387290095 /nfs/dbraw/zinc/29/00/95/387290095.db2.gz XHQBYTHCGCTHDX-NSHDSACASA-N 1 2 237.351 1.468 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccccn3)[C@H]12 ZINC000372335825 387291742 /nfs/dbraw/zinc/29/17/42/387291742.db2.gz APRJYDJMBXHUOD-PWSUYJOCSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccccn3)[C@H]12 ZINC000372335825 387291743 /nfs/dbraw/zinc/29/17/43/387291743.db2.gz APRJYDJMBXHUOD-PWSUYJOCSA-N 1 2 232.283 1.219 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336538281 387358886 /nfs/dbraw/zinc/35/88/86/387358886.db2.gz GOADXVXHTRMSHS-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373466429 387373200 /nfs/dbraw/zinc/37/32/00/387373200.db2.gz OQIGRJHMEBFPEH-SNVBAGLBSA-N 1 2 221.304 1.186 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000360664291 387330347 /nfs/dbraw/zinc/33/03/47/387330347.db2.gz OOGCDWZOJUJZBE-RNCFNFMXSA-N 1 2 234.299 1.830 20 0 BDADLO CC(C)c1nc(N2CC(n3ccnn3)C2)cc[nH+]1 ZINC000360676119 387332597 /nfs/dbraw/zinc/33/25/97/387332597.db2.gz YJFOAFQAVWVEDU-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO CCn1cc[nH+]c1CN1CC(OCC(F)F)C1 ZINC000572340847 387334072 /nfs/dbraw/zinc/33/40/72/387334072.db2.gz VYTYBSGYRTWXIS-UHFFFAOYSA-N 1 2 245.273 1.369 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1cc(C2CC2)no1 ZINC000515121090 387336317 /nfs/dbraw/zinc/33/63/17/387336317.db2.gz SVWTVTFNZXWWOY-UHFFFAOYSA-N 1 2 245.238 1.327 20 0 BDADLO Cn1cnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000372948500 387336842 /nfs/dbraw/zinc/33/68/42/387336842.db2.gz GORZKCKLDALJNO-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO Cn1cnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000372948500 387336848 /nfs/dbraw/zinc/33/68/48/387336848.db2.gz GORZKCKLDALJNO-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccccc1)C2 ZINC000372948500 387336853 /nfs/dbraw/zinc/33/68/53/387336853.db2.gz GORZKCKLDALJNO-UHFFFAOYSA-N 1 2 227.311 1.978 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CC(CO)C1 ZINC000336513570 387337315 /nfs/dbraw/zinc/33/73/15/387337315.db2.gz DPKKDYQCSAOIKE-UHFFFAOYSA-N 1 2 235.262 1.141 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCNC(=O)C1(C)C ZINC000114898234 387337520 /nfs/dbraw/zinc/33/75/20/387337520.db2.gz HTAQDJWRJCWFHO-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCOCC[N@H+]1CCNC(=O)C1(C)C ZINC000114898234 387337522 /nfs/dbraw/zinc/33/75/22/387337522.db2.gz HTAQDJWRJCWFHO-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000515125400 387337746 /nfs/dbraw/zinc/33/77/46/387337746.db2.gz VXGGHJKHHULLOK-VHSXEESVSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000515125400 387337753 /nfs/dbraw/zinc/33/77/53/387337753.db2.gz VXGGHJKHHULLOK-VHSXEESVSA-N 1 2 238.356 1.499 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000373041791 387342665 /nfs/dbraw/zinc/34/26/65/387342665.db2.gz HLBBLBOTHNLUGE-LBPRGKRZSA-N 1 2 247.342 1.926 20 0 BDADLO CCS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000121388793 387344462 /nfs/dbraw/zinc/34/44/62/387344462.db2.gz UBLRAAUONRAZIU-SECBINFHSA-N 1 2 243.332 1.286 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CC12CCOCC2 ZINC000514678834 387344748 /nfs/dbraw/zinc/34/47/48/387344748.db2.gz GOMSLOLYLIJVJV-LBPRGKRZSA-N 1 2 247.342 1.744 20 0 BDADLO CCCc1cc(C(=O)NCc2[nH]cc[nH+]2)ccn1 ZINC000354207992 387347259 /nfs/dbraw/zinc/34/72/59/387347259.db2.gz XGCOGPQLYXQHEZ-UHFFFAOYSA-N 1 2 244.298 1.687 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccnc(N)c1)CC2 ZINC000373247761 387350966 /nfs/dbraw/zinc/35/09/66/387350966.db2.gz SPWNXKWOTAKSQE-UHFFFAOYSA-N 1 2 243.314 1.015 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccnc(N)c1)CC2 ZINC000373247761 387350970 /nfs/dbraw/zinc/35/09/70/387350970.db2.gz SPWNXKWOTAKSQE-UHFFFAOYSA-N 1 2 243.314 1.015 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)CC(F)F ZINC000361264893 387427036 /nfs/dbraw/zinc/42/70/36/387427036.db2.gz GRYUOJJFVACQPD-SECBINFHSA-N 1 2 209.280 1.980 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)CC(F)F ZINC000361264893 387427045 /nfs/dbraw/zinc/42/70/45/387427045.db2.gz GRYUOJJFVACQPD-SECBINFHSA-N 1 2 209.280 1.980 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CC1CCC1)C2 ZINC000374154604 387428263 /nfs/dbraw/zinc/42/82/63/387428263.db2.gz YIYYCDAAIJKWBP-GFCCVEGCSA-N 1 2 247.342 1.813 20 0 BDADLO COC(=O)C[N@H+](C[C@@H](O)CCC(C)C)C1CC1 ZINC000361276925 387428775 /nfs/dbraw/zinc/42/87/75/387428775.db2.gz PMQWCDJNWJYDLC-LBPRGKRZSA-N 1 2 243.347 1.421 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H](O)CCC(C)C)C1CC1 ZINC000361276925 387428778 /nfs/dbraw/zinc/42/87/78/387428778.db2.gz PMQWCDJNWJYDLC-LBPRGKRZSA-N 1 2 243.347 1.421 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CC1(F)F ZINC000421747868 387432418 /nfs/dbraw/zinc/43/24/18/387432418.db2.gz DCTSYNMYQOUSRD-SCZZXKLOSA-N 1 2 243.257 1.433 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000361305294 387436478 /nfs/dbraw/zinc/43/64/78/387436478.db2.gz XRESNIAFBGPOOX-JTNHKYCSSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000361323556 387438787 /nfs/dbraw/zinc/43/87/87/387438787.db2.gz HPLSZEPXZUVLDH-NEPJUHHUSA-N 1 2 243.314 1.198 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000361323556 387438789 /nfs/dbraw/zinc/43/87/89/387438789.db2.gz HPLSZEPXZUVLDH-NEPJUHHUSA-N 1 2 243.314 1.198 20 0 BDADLO CCCCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374361218 387446534 /nfs/dbraw/zinc/44/65/34/387446534.db2.gz ACXCOBZHYJUIBY-CYBMUJFWSA-N 1 2 247.342 1.745 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336603673 387446825 /nfs/dbraw/zinc/44/68/25/387446825.db2.gz FYOICXFNBRNFQP-VIFPVBQESA-N 1 2 244.298 1.334 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336603673 387446829 /nfs/dbraw/zinc/44/68/29/387446829.db2.gz FYOICXFNBRNFQP-VIFPVBQESA-N 1 2 244.298 1.334 20 0 BDADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCCO1 ZINC000516001708 387447026 /nfs/dbraw/zinc/44/70/26/387447026.db2.gz KSLKDUMSXLQGJH-ZDUSSCGKSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)cc1O ZINC000336613475 387455112 /nfs/dbraw/zinc/45/51/12/387455112.db2.gz BXOUQHJUAVGYGO-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO CC1(CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000423934761 387455974 /nfs/dbraw/zinc/45/59/74/387455974.db2.gz ZSHBWHJIZMOLTA-MRVPVSSYSA-N 1 2 232.274 1.290 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336615783 387456634 /nfs/dbraw/zinc/45/66/34/387456634.db2.gz LHDOBVCMNVMRIX-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO C[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)[C@H]1CO ZINC000248891926 387456965 /nfs/dbraw/zinc/45/69/65/387456965.db2.gz FXUNVUSAVQZMSP-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)[C@H]1CO ZINC000248891926 387456969 /nfs/dbraw/zinc/45/69/69/387456969.db2.gz FXUNVUSAVQZMSP-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO CN(C)c1nccc(C[N@@H+]2CCC[C@@H]2CF)n1 ZINC000354520982 387387584 /nfs/dbraw/zinc/38/75/84/387387584.db2.gz LCCNXPKMQBYRBB-LLVKDONJSA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1nccc(C[N@H+]2CCC[C@@H]2CF)n1 ZINC000354520982 387387590 /nfs/dbraw/zinc/38/75/90/387387590.db2.gz LCCNXPKMQBYRBB-LLVKDONJSA-N 1 2 238.310 1.477 20 0 BDADLO COC1(C)C[NH+](Cc2cnn3ccccc23)C1 ZINC000336568345 387392794 /nfs/dbraw/zinc/39/27/94/387392794.db2.gz NSNUKDNHNFUAOX-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO COC1(C)CN(Cc2c[nH+]c3c(C)cccn23)C1 ZINC000336568347 387393326 /nfs/dbraw/zinc/39/33/26/387393326.db2.gz NUFFHUCJEJWDAM-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc[nH]c1 ZINC000336571024 387394980 /nfs/dbraw/zinc/39/49/80/387394980.db2.gz SSJRMWBFRYBFDP-UHFFFAOYSA-N 1 2 204.233 1.010 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000336571756 387395050 /nfs/dbraw/zinc/39/50/50/387395050.db2.gz XHLJTCJFXSBVRL-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000336571756 387395053 /nfs/dbraw/zinc/39/50/53/387395053.db2.gz XHLJTCJFXSBVRL-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO Cc1nc(C)c(CN2CCn3c[nH+]cc3C2)s1 ZINC000336573102 387398035 /nfs/dbraw/zinc/39/80/35/387398035.db2.gz VWDMKMUCKUQXRK-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO CCCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000083370274 387404962 /nfs/dbraw/zinc/40/49/62/387404962.db2.gz ZJUQMOVGPBNURY-LLVKDONJSA-N 1 2 242.269 1.881 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000121765252 387405094 /nfs/dbraw/zinc/40/50/94/387405094.db2.gz RIJAGYXTIATIBO-TXEJJXNPSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000121765252 387405099 /nfs/dbraw/zinc/40/50/99/387405099.db2.gz RIJAGYXTIATIBO-TXEJJXNPSA-N 1 2 220.316 1.999 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423757390 387410852 /nfs/dbraw/zinc/41/08/52/387410852.db2.gz DCSCUQWNYCSVMR-WPRPVWTQSA-N 1 2 241.360 1.694 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccoc1 ZINC000352651592 387412080 /nfs/dbraw/zinc/41/20/80/387412080.db2.gz CKWLBLYZFGELDF-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccoc1 ZINC000352651592 387412085 /nfs/dbraw/zinc/41/20/85/387412085.db2.gz CKWLBLYZFGELDF-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO COC1(C)CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000336590332 387414220 /nfs/dbraw/zinc/41/42/20/387414220.db2.gz LCDCIYZXARJCGI-UHFFFAOYSA-N 1 2 235.287 1.065 20 0 BDADLO CC[C@@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000354678049 387414349 /nfs/dbraw/zinc/41/43/49/387414349.db2.gz UHDBBGDLMBYCCN-SECBINFHSA-N 1 2 209.293 1.599 20 0 BDADLO CC[C@H]1C[C@@H](C[NH+]2CC(F)C2)CCO1 ZINC000336618706 387460953 /nfs/dbraw/zinc/46/09/53/387460953.db2.gz NEQJHSQKBYSZOI-ONGXEEELSA-N 1 2 201.285 1.845 20 0 BDADLO CC[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000421924539 387504903 /nfs/dbraw/zinc/50/49/03/387504903.db2.gz WYEDRIBABWDDTR-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1nc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)no1 ZINC000375003080 387506487 /nfs/dbraw/zinc/50/64/87/387506487.db2.gz FBWVZLOCICGLQL-SECBINFHSA-N 1 2 233.275 1.438 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1[C@H](C)C[C@@H]1C ZINC000527166373 387513980 /nfs/dbraw/zinc/51/39/80/387513980.db2.gz VJHMYFCNGIXMAW-MXWKQRLJSA-N 1 2 236.319 1.464 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ocnc1C1CC1 ZINC000580483515 387543720 /nfs/dbraw/zinc/54/37/20/387543720.db2.gz IRPAHASTNVRUHP-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO Cc1[nH]c(C(=O)NCCCC2(O)CCC2)c[nH+]1 ZINC000421985187 387522818 /nfs/dbraw/zinc/52/28/18/387522818.db2.gz UCRSJEHKWCREBW-UHFFFAOYSA-N 1 2 237.303 1.143 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000361696866 387523243 /nfs/dbraw/zinc/52/32/43/387523243.db2.gz SZVBYPUTHGBVGB-GMTAPVOTSA-N 1 2 233.315 1.740 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@H]1CCCCO1 ZINC000361691634 387523365 /nfs/dbraw/zinc/52/33/65/387523365.db2.gz FTDSXXVTFISRNT-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@H]1CCCCO1 ZINC000361691634 387523369 /nfs/dbraw/zinc/52/33/69/387523369.db2.gz FTDSXXVTFISRNT-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375303873 387524903 /nfs/dbraw/zinc/52/49/03/387524903.db2.gz QCPRIBPOKRJITJ-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO c1snnc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375303873 387524906 /nfs/dbraw/zinc/52/49/06/387524906.db2.gz QCPRIBPOKRJITJ-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1ncn(C)n1 ZINC000425596785 387525688 /nfs/dbraw/zinc/52/56/88/387525688.db2.gz PFWVQDPTZDWHLA-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO c1cnc(C[N@@H+]2CCOCC3(CC3)C2)nc1 ZINC000361753388 387531911 /nfs/dbraw/zinc/53/19/11/387531911.db2.gz ISFNEWZKKAKJLG-UHFFFAOYSA-N 1 2 219.288 1.089 20 0 BDADLO c1cnc(C[N@H+]2CCOCC3(CC3)C2)nc1 ZINC000361753388 387531914 /nfs/dbraw/zinc/53/19/14/387531914.db2.gz ISFNEWZKKAKJLG-UHFFFAOYSA-N 1 2 219.288 1.089 20 0 BDADLO COc1cc(C)[nH+]c(Cn2ccncc2=O)c1 ZINC000310173912 387534372 /nfs/dbraw/zinc/53/43/72/387534372.db2.gz UTGLAJMDUCLLQB-UHFFFAOYSA-N 1 2 231.255 1.004 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@](O)(CC)C2)no1 ZINC000425915951 387534870 /nfs/dbraw/zinc/53/48/70/387534870.db2.gz AVNYYZWEAZAAIJ-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@](O)(CC)C2)no1 ZINC000425915951 387534876 /nfs/dbraw/zinc/53/48/76/387534876.db2.gz AVNYYZWEAZAAIJ-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000352730103 387463278 /nfs/dbraw/zinc/46/32/78/387463278.db2.gz AIGMPJNZSZDABJ-UHFFFAOYSA-N 1 2 246.314 1.834 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352761394 387467040 /nfs/dbraw/zinc/46/70/40/387467040.db2.gz TZPVDFDXXWRNPA-IAQYHMDHSA-N 1 2 233.377 1.256 20 0 BDADLO CCCCOCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352761394 387467044 /nfs/dbraw/zinc/46/70/44/387467044.db2.gz TZPVDFDXXWRNPA-IAQYHMDHSA-N 1 2 233.377 1.256 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421897521 387469727 /nfs/dbraw/zinc/46/97/27/387469727.db2.gz WAUYCTDSHDOIFP-IJLUTSLNSA-N 1 2 247.342 1.955 20 0 BDADLO CC[N@H+](CCC1CC1)Cc1n[nH]c(=O)[nH]1 ZINC000355061311 387471656 /nfs/dbraw/zinc/47/16/56/387471656.db2.gz JDVXWDHKZUKFIP-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO CC[N@@H+](CCC1CC1)Cc1n[nH]c(=O)[nH]1 ZINC000355061311 387471659 /nfs/dbraw/zinc/47/16/59/387471659.db2.gz JDVXWDHKZUKFIP-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO COC[C@@H]([NH2+]CC1CCCCCC1)C(=O)OC ZINC000355057753 387471694 /nfs/dbraw/zinc/47/16/94/387471694.db2.gz SEACXZISRKAENM-GFCCVEGCSA-N 1 2 243.347 1.734 20 0 BDADLO O=C(CCc1ccc(O)cc1)NCc1c[nH+]c[nH]1 ZINC000355064046 387473112 /nfs/dbraw/zinc/47/31/12/387473112.db2.gz UCLZVCPGENTZDQ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO O=C(CCc1ccc(O)cc1)NCc1c[nH]c[nH+]1 ZINC000355064046 387473114 /nfs/dbraw/zinc/47/31/14/387473114.db2.gz UCLZVCPGENTZDQ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CCOc1cccnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000361507300 387474940 /nfs/dbraw/zinc/47/49/40/387474940.db2.gz DCGJUHQTNPTEHZ-UHFFFAOYSA-N 1 2 246.270 1.133 20 0 BDADLO CCOc1cccnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000361507300 387474955 /nfs/dbraw/zinc/47/49/55/387474955.db2.gz DCGJUHQTNPTEHZ-UHFFFAOYSA-N 1 2 246.270 1.133 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634673 387475612 /nfs/dbraw/zinc/47/56/12/387475612.db2.gz AGCSMHRZLNFMPZ-OCCSQVGLSA-N 1 2 248.301 1.446 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634673 387475615 /nfs/dbraw/zinc/47/56/15/387475615.db2.gz AGCSMHRZLNFMPZ-OCCSQVGLSA-N 1 2 248.301 1.446 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634672 387475984 /nfs/dbraw/zinc/47/59/84/387475984.db2.gz AGCSMHRZLNFMPZ-JSGCOSHPSA-N 1 2 248.301 1.446 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634672 387475989 /nfs/dbraw/zinc/47/59/89/387475989.db2.gz AGCSMHRZLNFMPZ-JSGCOSHPSA-N 1 2 248.301 1.446 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OC ZINC000355088667 387476880 /nfs/dbraw/zinc/47/68/80/387476880.db2.gz PNWUCAFEIPYQMO-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C[C@@H]1C=CCC1)CC2 ZINC000374666268 387477457 /nfs/dbraw/zinc/47/74/57/387477457.db2.gz VVPBTGLHPWMQPT-GFCCVEGCSA-N 1 2 245.326 1.890 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cccc(O)c1)CC2 ZINC000374683019 387480769 /nfs/dbraw/zinc/48/07/69/387480769.db2.gz NVOMDUVTHXRMGY-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO COC1(C[N@H+](C)Cc2nnc[nH]2)CCCC1 ZINC000361553334 387482870 /nfs/dbraw/zinc/48/28/70/387482870.db2.gz OKHONWJXRGIJSX-UHFFFAOYSA-N 1 2 224.308 1.196 20 0 BDADLO COC1(C[N@@H+](C)Cc2nnc[nH]2)CCCC1 ZINC000361553334 387482876 /nfs/dbraw/zinc/48/28/76/387482876.db2.gz OKHONWJXRGIJSX-UHFFFAOYSA-N 1 2 224.308 1.196 20 0 BDADLO Cc1noc(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000336631524 387483113 /nfs/dbraw/zinc/48/31/13/387483113.db2.gz OGZHIVQKVJNSEG-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1noc(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000336631524 387483116 /nfs/dbraw/zinc/48/31/16/387483116.db2.gz OGZHIVQKVJNSEG-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000648504949 387484117 /nfs/dbraw/zinc/48/41/17/387484117.db2.gz ZQWRJNVBSMQTHL-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000648504949 387484122 /nfs/dbraw/zinc/48/41/22/387484122.db2.gz ZQWRJNVBSMQTHL-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nnc(C)s1)CC2 ZINC000374709260 387485193 /nfs/dbraw/zinc/48/51/93/387485193.db2.gz HIGOAWVXRNGBJN-UHFFFAOYSA-N 1 2 235.316 1.372 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(C)o1)CC2 ZINC000374715883 387485652 /nfs/dbraw/zinc/48/56/52/387485652.db2.gz ODQVPXATNAOHTP-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)nc1 ZINC000375762000 387580303 /nfs/dbraw/zinc/58/03/03/387580303.db2.gz IVQQWBOHQAOOOW-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)nc1 ZINC000375762000 387580305 /nfs/dbraw/zinc/58/03/05/387580305.db2.gz IVQQWBOHQAOOOW-KBPBESRZSA-N 1 2 248.326 1.461 20 0 BDADLO Cc1cnc(NC(=O)NCCn2cc[nH+]c2)o1 ZINC000355810815 387580984 /nfs/dbraw/zinc/58/09/84/387580984.db2.gz JRZKTQULYFRUMW-UHFFFAOYSA-N 1 2 235.247 1.001 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)C ZINC000362206682 387583645 /nfs/dbraw/zinc/58/36/45/387583645.db2.gz DTUYSIWMJCDFBJ-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1[C@@H]1CCC(C)(C)C1 ZINC000375918321 387594198 /nfs/dbraw/zinc/59/41/98/387594198.db2.gz UVGXBQASRIAMMX-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1[C@@H]1CCC(C)(C)C1 ZINC000375918321 387594202 /nfs/dbraw/zinc/59/42/02/387594202.db2.gz UVGXBQASRIAMMX-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO CSCC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000362313663 387594411 /nfs/dbraw/zinc/59/44/11/387594411.db2.gz CYINXXFQBUHRKG-UHFFFAOYSA-N 1 2 243.380 1.223 20 0 BDADLO CSCC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000362313663 387594417 /nfs/dbraw/zinc/59/44/17/387594417.db2.gz CYINXXFQBUHRKG-UHFFFAOYSA-N 1 2 243.380 1.223 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1[C@H]1CCC(C)(C)C1 ZINC000375918323 387595347 /nfs/dbraw/zinc/59/53/47/387595347.db2.gz UVGXBQASRIAMMX-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1[C@H]1CCC(C)(C)C1 ZINC000375918323 387595351 /nfs/dbraw/zinc/59/53/51/387595351.db2.gz UVGXBQASRIAMMX-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528492283 387597238 /nfs/dbraw/zinc/59/72/38/387597238.db2.gz ZZBZQDVRGKXNQK-KFOKRZIESA-N 1 2 217.696 1.229 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528492283 387597243 /nfs/dbraw/zinc/59/72/43/387597243.db2.gz ZZBZQDVRGKXNQK-KFOKRZIESA-N 1 2 217.696 1.229 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376008299 387601653 /nfs/dbraw/zinc/60/16/53/387601653.db2.gz REAZAMLMALTOJV-VXGBXAGGSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376008299 387601663 /nfs/dbraw/zinc/60/16/63/387601663.db2.gz REAZAMLMALTOJV-VXGBXAGGSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccnc(C)c2)n1 ZINC000527539482 387607832 /nfs/dbraw/zinc/60/78/32/387607832.db2.gz QPWCSMJSNMIIRJ-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO COc1cc(C(=O)Nc2c(C)cc[nH+]c2C)on1 ZINC000362399232 387609095 /nfs/dbraw/zinc/60/90/95/387609095.db2.gz ZFIIGMMBHGRPAZ-UHFFFAOYSA-N 1 2 247.254 1.947 20 0 BDADLO CC[C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000422637133 387610589 /nfs/dbraw/zinc/61/05/89/387610589.db2.gz XLMQUWZGPIMJQZ-YUMQZZPRSA-N 1 2 220.263 1.146 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C(C)(C)C ZINC000264801739 387616088 /nfs/dbraw/zinc/61/60/88/387616088.db2.gz MXZRPSJJQYXEAD-SECBINFHSA-N 1 2 249.318 1.182 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000362506045 387620125 /nfs/dbraw/zinc/62/01/25/387620125.db2.gz PXZIDKJNUAZUQW-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000362506045 387620130 /nfs/dbraw/zinc/62/01/30/387620130.db2.gz PXZIDKJNUAZUQW-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccccn1 ZINC000362517184 387623356 /nfs/dbraw/zinc/62/33/56/387623356.db2.gz WZEFJAIPSLMUEZ-NSHDSACASA-N 1 2 249.358 1.817 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccccn1 ZINC000362517184 387623362 /nfs/dbraw/zinc/62/33/62/387623362.db2.gz WZEFJAIPSLMUEZ-NSHDSACASA-N 1 2 249.358 1.817 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2ncccc2F)cn1 ZINC000527240146 387548818 /nfs/dbraw/zinc/54/88/18/387548818.db2.gz YYOGDJPFVLSHMK-UHFFFAOYSA-N 1 2 232.262 1.808 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000119252377 387553356 /nfs/dbraw/zinc/55/33/56/387553356.db2.gz NRDUZOPAOSRHOY-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1ccncc1CN(C)Cc1[nH]cc[nH+]1 ZINC000355586225 387553708 /nfs/dbraw/zinc/55/37/08/387553708.db2.gz RSBHQFQHVJBUTQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362560180 387631418 /nfs/dbraw/zinc/63/14/18/387631418.db2.gz MXHOEIRXBNNSRS-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362560180 387631422 /nfs/dbraw/zinc/63/14/22/387631422.db2.gz MXHOEIRXBNNSRS-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@H]2C)ccn1 ZINC000527536364 387631413 /nfs/dbraw/zinc/63/14/13/387631413.db2.gz XVEUWZXEILZGSS-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2C)ccn1 ZINC000527536364 387631416 /nfs/dbraw/zinc/63/14/16/387631416.db2.gz XVEUWZXEILZGSS-GFCCVEGCSA-N 1 2 219.332 1.526 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000527537250 387632913 /nfs/dbraw/zinc/63/29/13/387632913.db2.gz ZZJHEMIOZDBYTQ-VXGBXAGGSA-N 1 2 233.315 1.532 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C(C)C)C2)no1 ZINC000356272877 387635044 /nfs/dbraw/zinc/63/50/44/387635044.db2.gz CIFMNIONPZWEJR-SNVBAGLBSA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C(C)C)C2)no1 ZINC000356272877 387635046 /nfs/dbraw/zinc/63/50/46/387635046.db2.gz CIFMNIONPZWEJR-SNVBAGLBSA-N 1 2 239.319 1.694 20 0 BDADLO CC[C@@H](CCO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000305737570 387639780 /nfs/dbraw/zinc/63/97/80/387639780.db2.gz QHTDWHMZMJCHPV-JTQLQIEISA-N 1 2 237.303 1.673 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+](C)CCO)n1 ZINC000305746869 387645169 /nfs/dbraw/zinc/64/51/69/387645169.db2.gz PTBVDZIKAJKCKA-MRVPVSSYSA-N 1 2 213.281 1.178 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+](C)CCO)n1 ZINC000305746869 387645172 /nfs/dbraw/zinc/64/51/72/387645172.db2.gz PTBVDZIKAJKCKA-MRVPVSSYSA-N 1 2 213.281 1.178 20 0 BDADLO Cn1nnc(C[NH2+][C@@H](c2ccccc2)C2CC2)n1 ZINC000194290606 387654987 /nfs/dbraw/zinc/65/49/87/387654987.db2.gz OWPCNLHFALKKOL-ZDUSSCGKSA-N 1 2 243.314 1.451 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(CO)c1 ZINC000362764189 387656455 /nfs/dbraw/zinc/65/64/55/387656455.db2.gz ZTUSLKLCJXQUCA-UHFFFAOYSA-N 1 2 245.282 1.174 20 0 BDADLO CC(C)(C)C[C@H](O)CC(=O)NCc1c[nH+]c[nH]1 ZINC000362821037 387662859 /nfs/dbraw/zinc/66/28/59/387662859.db2.gz UIYRJHCNVDPBPY-SNVBAGLBSA-N 1 2 239.319 1.213 20 0 BDADLO CC(C)(C)C[C@H](O)CC(=O)NCc1c[nH]c[nH+]1 ZINC000362821037 387662862 /nfs/dbraw/zinc/66/28/62/387662862.db2.gz UIYRJHCNVDPBPY-SNVBAGLBSA-N 1 2 239.319 1.213 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000362851549 387664520 /nfs/dbraw/zinc/66/45/20/387664520.db2.gz FZJDLVXFAZDTAO-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000362851549 387664522 /nfs/dbraw/zinc/66/45/22/387664522.db2.gz FZJDLVXFAZDTAO-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000440707437 387674218 /nfs/dbraw/zinc/67/42/18/387674218.db2.gz YHXCDBGKOJMNAU-QWHCGFSZSA-N 1 2 246.370 1.777 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000440707437 387674222 /nfs/dbraw/zinc/67/42/22/387674222.db2.gz YHXCDBGKOJMNAU-QWHCGFSZSA-N 1 2 246.370 1.777 20 0 BDADLO Nc1ccc(NC(=O)c2cc(C3CC3)no2)c[nH+]1 ZINC000422778115 387674983 /nfs/dbraw/zinc/67/49/83/387674983.db2.gz ACMMHDCVGKPTFK-UHFFFAOYSA-N 1 2 244.254 1.612 20 0 BDADLO CC[NH2+]CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000422794390 387696188 /nfs/dbraw/zinc/69/61/88/387696188.db2.gz YTZXJDJIJNSPLA-UHFFFAOYSA-N 1 2 244.241 1.010 20 0 BDADLO CCOC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000044416416 387679112 /nfs/dbraw/zinc/67/91/12/387679112.db2.gz IQIWTWFICIFUJL-QMMMGPOBSA-N 1 2 235.291 1.200 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccoc1 ZINC000356590121 387679687 /nfs/dbraw/zinc/67/96/87/387679687.db2.gz CKJOGZWRYPTEHR-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO CC[C@H](F)C[N@H+](C)CC(=O)N(CC)CC ZINC000440718291 387680571 /nfs/dbraw/zinc/68/05/71/387680571.db2.gz USYBZJXIFUDPBR-JTQLQIEISA-N 1 2 218.316 1.535 20 0 BDADLO CC[C@H](F)C[N@@H+](C)CC(=O)N(CC)CC ZINC000440718291 387680574 /nfs/dbraw/zinc/68/05/74/387680574.db2.gz USYBZJXIFUDPBR-JTQLQIEISA-N 1 2 218.316 1.535 20 0 BDADLO CC[C@@H](F)C[N@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000440714378 387682174 /nfs/dbraw/zinc/68/21/74/387682174.db2.gz PAXSTWAGFSSTOF-VHSXEESVSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000440714378 387682177 /nfs/dbraw/zinc/68/21/77/387682177.db2.gz PAXSTWAGFSSTOF-VHSXEESVSA-N 1 2 239.356 1.490 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363014972 387685718 /nfs/dbraw/zinc/68/57/18/387685718.db2.gz RTDOEGHPEVBHFL-QWRGUYRKSA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363014972 387685720 /nfs/dbraw/zinc/68/57/20/387685720.db2.gz RTDOEGHPEVBHFL-QWRGUYRKSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000440766583 387686383 /nfs/dbraw/zinc/68/63/83/387686383.db2.gz RQQFSWHWJXWZDE-NXEZZACHSA-N 1 2 205.273 1.082 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](COC)C1 ZINC000440766583 387686387 /nfs/dbraw/zinc/68/63/87/387686387.db2.gz RQQFSWHWJXWZDE-NXEZZACHSA-N 1 2 205.273 1.082 20 0 BDADLO CC[C@H](F)C[N@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000440773106 387686859 /nfs/dbraw/zinc/68/68/59/387686859.db2.gz WYIUHKSXSJSWSV-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@H](F)C[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000440773106 387686862 /nfs/dbraw/zinc/68/68/62/387686862.db2.gz WYIUHKSXSJSWSV-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000356655335 387689319 /nfs/dbraw/zinc/68/93/19/387689319.db2.gz DCKNYCHJTJGIEI-UWVGGRQHSA-N 1 2 239.294 1.310 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(CCOC(C)C)CC1 ZINC000440777311 387691661 /nfs/dbraw/zinc/69/16/61/387691661.db2.gz USTZPGXYIHOLIF-ZDUSSCGKSA-N 1 2 246.370 1.777 20 0 BDADLO CC(C)n1nnnc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377772164 387750067 /nfs/dbraw/zinc/75/00/67/387750067.db2.gz GLMWJHCGRFUFFK-GHMZBOCLSA-N 1 2 235.335 1.628 20 0 BDADLO CC(C)n1nnnc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377772164 387750074 /nfs/dbraw/zinc/75/00/74/387750074.db2.gz GLMWJHCGRFUFFK-GHMZBOCLSA-N 1 2 235.335 1.628 20 0 BDADLO CCCCOCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000441387787 387753174 /nfs/dbraw/zinc/75/31/74/387753174.db2.gz WCTQSAVEOGMNNK-ZDUSSCGKSA-N 1 2 243.347 1.294 20 0 BDADLO CCCCOCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000441387787 387753181 /nfs/dbraw/zinc/75/31/81/387753181.db2.gz WCTQSAVEOGMNNK-ZDUSSCGKSA-N 1 2 243.347 1.294 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000440797001 387701781 /nfs/dbraw/zinc/70/17/81/387701781.db2.gz MLFKWYDKWUNTLN-VHSXEESVSA-N 1 2 226.299 1.700 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000440797001 387701785 /nfs/dbraw/zinc/70/17/85/387701785.db2.gz MLFKWYDKWUNTLN-VHSXEESVSA-N 1 2 226.299 1.700 20 0 BDADLO CSC1(C(=O)NC2C[NH+](C(C)C)C2)CC1 ZINC000431397598 387705048 /nfs/dbraw/zinc/70/50/48/387705048.db2.gz UBXLFCYUSHPJQH-UHFFFAOYSA-N 1 2 228.361 1.091 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)OC ZINC000452036399 387708295 /nfs/dbraw/zinc/70/82/95/387708295.db2.gz QHVQHQGWXVICDI-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000356723154 387709059 /nfs/dbraw/zinc/70/90/59/387709059.db2.gz DYQPOKXMZPWRRP-DTWKUNHWSA-N 1 2 239.294 1.694 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000356723154 387709064 /nfs/dbraw/zinc/70/90/64/387709064.db2.gz DYQPOKXMZPWRRP-DTWKUNHWSA-N 1 2 239.294 1.694 20 0 BDADLO CCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486438 387719671 /nfs/dbraw/zinc/71/96/71/387719671.db2.gz UTRNQCBCLSLPHK-VIFPVBQESA-N 1 2 224.308 1.490 20 0 BDADLO CCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486438 387719677 /nfs/dbraw/zinc/71/96/77/387719677.db2.gz UTRNQCBCLSLPHK-VIFPVBQESA-N 1 2 224.308 1.490 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]Cc2cc[nH]c2)no1 ZINC000441209175 387737394 /nfs/dbraw/zinc/73/73/94/387737394.db2.gz VKIUZLCMJJNFAU-UHFFFAOYSA-N 1 2 234.303 1.985 20 0 BDADLO CC[C@H]1COCCN1Cc1cc(OC)cc[nH+]1 ZINC000115741118 387738083 /nfs/dbraw/zinc/73/80/83/387738083.db2.gz MSNLPEPDHGBXSW-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(OC)ccn1 ZINC000115741118 387738088 /nfs/dbraw/zinc/73/80/88/387738088.db2.gz MSNLPEPDHGBXSW-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(OC)ccn1 ZINC000115741118 387738095 /nfs/dbraw/zinc/73/80/95/387738095.db2.gz MSNLPEPDHGBXSW-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)CC1 ZINC000367667431 387740053 /nfs/dbraw/zinc/74/00/53/387740053.db2.gz BALGRCRTCIXLBR-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)CC1 ZINC000367667431 387740058 /nfs/dbraw/zinc/74/00/58/387740058.db2.gz BALGRCRTCIXLBR-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H](CC(N)=O)C1 ZINC000527911421 387764472 /nfs/dbraw/zinc/76/44/72/387764472.db2.gz FOPLTMQZFIKBLF-JTQLQIEISA-N 1 2 249.314 1.182 20 0 BDADLO O=C(/C=C/C1CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378197602 387769923 /nfs/dbraw/zinc/76/99/23/387769923.db2.gz AVDPBOBSZKSHSC-YVGDHZEHSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(C=CC1CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378197602 387769926 /nfs/dbraw/zinc/76/99/26/387769926.db2.gz AVDPBOBSZKSHSC-YVGDHZEHSA-N 1 2 231.299 1.349 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196332 387770153 /nfs/dbraw/zinc/77/01/53/387770153.db2.gz KRWVQJSHDGAFSQ-FGEFZZPRSA-N 1 2 247.342 1.986 20 0 BDADLO CC(C)(C)C=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378196332 387770160 /nfs/dbraw/zinc/77/01/60/387770160.db2.gz KRWVQJSHDGAFSQ-FGEFZZPRSA-N 1 2 247.342 1.986 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000422911527 387771537 /nfs/dbraw/zinc/77/15/37/387771537.db2.gz TYXRDJSPQJRQFB-WRWORJQWSA-N 1 2 242.269 1.879 20 0 BDADLO Cc1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)nc[nH+]1 ZINC000441955683 387784083 /nfs/dbraw/zinc/78/40/83/387784083.db2.gz RJDWOSHYRSPNCU-VXGBXAGGSA-N 1 2 233.315 1.648 20 0 BDADLO O=C(c1cnsn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378409271 387784135 /nfs/dbraw/zinc/78/41/35/387784135.db2.gz LRHCHDANSHVRFK-QMMMGPOBSA-N 1 2 249.299 1.239 20 0 BDADLO Cc1cc(N[C@@H]2CCCNC2=O)nc(C(C)C)[nH+]1 ZINC000050396676 387794105 /nfs/dbraw/zinc/79/41/05/387794105.db2.gz GMBZMXFBUJIPLN-SNVBAGLBSA-N 1 2 248.330 1.599 20 0 BDADLO Cc1c([C@H](C)[NH2+]Cc2nccn2C)cnn1C ZINC000051923462 387802769 /nfs/dbraw/zinc/80/27/69/387802769.db2.gz ONECUQKWSYXEEI-VIFPVBQESA-N 1 2 233.319 1.313 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC12CC(C1)CO2 ZINC000527986700 387803421 /nfs/dbraw/zinc/80/34/21/387803421.db2.gz XENZTFKCFZUJQJ-DUACVJHASA-N 1 2 221.304 1.548 20 0 BDADLO CSCCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000377906291 387757074 /nfs/dbraw/zinc/75/70/74/387757074.db2.gz IXTJQCJBDUPVSH-VIFPVBQESA-N 1 2 227.333 1.960 20 0 BDADLO CSCCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000377906291 387757080 /nfs/dbraw/zinc/75/70/80/387757080.db2.gz IXTJQCJBDUPVSH-VIFPVBQESA-N 1 2 227.333 1.960 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](c2nnc[nH]2)C1 ZINC000528039962 387822088 /nfs/dbraw/zinc/82/20/88/387822088.db2.gz WSOHWTRERKCALA-VIFPVBQESA-N 1 2 245.286 1.202 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@H](C)C1 ZINC000528023728 387828456 /nfs/dbraw/zinc/82/84/56/387828456.db2.gz BDUCTVCSJPRZHK-SECBINFHSA-N 1 2 208.261 1.315 20 0 BDADLO Cn1cc(C[NH2+]Cc2cccc(F)c2)nn1 ZINC000054859084 387828635 /nfs/dbraw/zinc/82/86/35/387828635.db2.gz XPAXTKNXWYCTGV-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000648529748 387832158 /nfs/dbraw/zinc/83/21/58/387832158.db2.gz AINOHEMALPJBAU-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cnccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000648529748 387832163 /nfs/dbraw/zinc/83/21/63/387832163.db2.gz AINOHEMALPJBAU-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H]1CCCOC1)C(=O)OCC ZINC000432899466 387839012 /nfs/dbraw/zinc/83/90/12/387839012.db2.gz CXVRJBYTYQBGOW-SCBUBVSKSA-N 1 2 241.331 1.653 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OCC ZINC000432899463 387839195 /nfs/dbraw/zinc/83/91/95/387839195.db2.gz CXVRJBYTYQBGOW-CHULQOHASA-N 1 2 241.331 1.653 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCn2ccnc2C1 ZINC000062256242 387852412 /nfs/dbraw/zinc/85/24/12/387852412.db2.gz MGVGRKYLJMLECE-JTQLQIEISA-N 1 2 223.320 1.106 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCn2ccnc2C1 ZINC000062256242 387852415 /nfs/dbraw/zinc/85/24/15/387852415.db2.gz MGVGRKYLJMLECE-JTQLQIEISA-N 1 2 223.320 1.106 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCC(C)C ZINC000452577182 387862004 /nfs/dbraw/zinc/86/20/04/387862004.db2.gz WHVAWCODCIWDSA-UHFFFAOYSA-N 1 2 223.320 1.955 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423058684 387865372 /nfs/dbraw/zinc/86/53/72/387865372.db2.gz KCOSGSTVHLPFBU-NRPADANISA-N 1 2 241.360 1.694 20 0 BDADLO CSC[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000151619687 387866012 /nfs/dbraw/zinc/86/60/12/387866012.db2.gz KUFJQNJDHNHXSO-SSDOTTSWSA-N 1 2 225.317 1.601 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCO[C@H]2C2CC2)no1 ZINC000236027933 387870119 /nfs/dbraw/zinc/87/01/19/387870119.db2.gz JRKUIBONNGPKFY-ONGXEEELSA-N 1 2 223.276 1.035 20 0 BDADLO NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194017001 387871110 /nfs/dbraw/zinc/87/11/10/387871110.db2.gz ZXTSLWMYXMLQQJ-UHFFFAOYSA-N 1 2 234.234 1.180 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)no1 ZINC000236026763 387871333 /nfs/dbraw/zinc/87/13/33/387871333.db2.gz JRKUIBONNGPKFY-KOLCDFICSA-N 1 2 223.276 1.035 20 0 BDADLO CCCN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000422968868 387818342 /nfs/dbraw/zinc/81/83/42/387818342.db2.gz SJBHBSLYEJSZIB-NSHDSACASA-N 1 2 242.269 1.833 20 0 BDADLO CN(OCC(F)(F)F)c1[nH+]cnc2[nH]ccc21 ZINC000528287932 387890610 /nfs/dbraw/zinc/89/06/10/387890610.db2.gz UDLYGEVMVOUDNI-UHFFFAOYSA-N 1 2 246.192 1.888 20 0 BDADLO C[C@H]1CC[C@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000528228608 387884558 /nfs/dbraw/zinc/88/45/58/387884558.db2.gz BEVDYOLWIAKRBT-DTWKUNHWSA-N 1 2 234.259 1.554 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccc(C)cn2)n1 ZINC000424184740 387899930 /nfs/dbraw/zinc/89/99/30/387899930.db2.gz DXXUBGYQRLCVLG-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCCC[C@H]1C ZINC000444663196 387902721 /nfs/dbraw/zinc/90/27/21/387902721.db2.gz YAKHZJMQUJCBSP-ZJUUUORDSA-N 1 2 238.335 1.911 20 0 BDADLO CC[N@H+](Cc1coc(S(C)(=O)=O)c1)C1CC1 ZINC000528350264 387905112 /nfs/dbraw/zinc/90/51/12/387905112.db2.gz NAEINRZAVAQVDG-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO CC[N@@H+](Cc1coc(S(C)(=O)=O)c1)C1CC1 ZINC000528350264 387905116 /nfs/dbraw/zinc/90/51/16/387905116.db2.gz NAEINRZAVAQVDG-UHFFFAOYSA-N 1 2 243.328 1.667 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444700895 387914077 /nfs/dbraw/zinc/91/40/77/387914077.db2.gz GLAJVFBRUJVTSB-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444700895 387914085 /nfs/dbraw/zinc/91/40/85/387914085.db2.gz GLAJVFBRUJVTSB-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000452777923 387917130 /nfs/dbraw/zinc/91/71/30/387917130.db2.gz QFOIWXFHSKQDOG-WOPDTQHZSA-N 1 2 247.342 1.608 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438378561 387930677 /nfs/dbraw/zinc/93/06/77/387930677.db2.gz YZDIYYRTTFOLFJ-SRVKXCTJSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438378561 387930685 /nfs/dbraw/zinc/93/06/85/387930685.db2.gz YZDIYYRTTFOLFJ-SRVKXCTJSA-N 1 2 237.347 1.901 20 0 BDADLO COC1C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000238832962 387936061 /nfs/dbraw/zinc/93/60/61/387936061.db2.gz GIVBZJJKBLCQHM-UHFFFAOYSA-N 1 2 235.283 1.288 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@H](C)[C@H](C)O1 ZINC000438353772 387929056 /nfs/dbraw/zinc/92/90/56/387929056.db2.gz NUDKTCSCZHEAIT-BBBLOLIVSA-N 1 2 209.293 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)[C@H](C)O1 ZINC000438353772 387929061 /nfs/dbraw/zinc/92/90/61/387929061.db2.gz NUDKTCSCZHEAIT-BBBLOLIVSA-N 1 2 209.293 1.407 20 0 BDADLO Cc1nc(N2CC[C@@H](O)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC000445610750 387952110 /nfs/dbraw/zinc/95/21/10/387952110.db2.gz RQLSJUPUCSVGDF-GFCCVEGCSA-N 1 2 249.358 1.999 20 0 BDADLO COC[C@@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000445647429 387956323 /nfs/dbraw/zinc/95/63/23/387956323.db2.gz FQCRISODZPRAAK-NSHDSACASA-N 1 2 239.319 1.062 20 0 BDADLO Cn1cccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245550691 387959536 /nfs/dbraw/zinc/95/95/36/387959536.db2.gz ALMAVYOWEQDKIW-CHWSQXEVSA-N 1 2 247.342 1.268 20 0 BDADLO Cn1cccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245550691 387959539 /nfs/dbraw/zinc/95/95/39/387959539.db2.gz ALMAVYOWEQDKIW-CHWSQXEVSA-N 1 2 247.342 1.268 20 0 BDADLO COc1ccnc(CN[C@@H](C)c2[nH+]ccn2C)n1 ZINC000424313774 387965671 /nfs/dbraw/zinc/96/56/71/387965671.db2.gz YUJHWQILOLCGJN-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[N@H+](CCC[C@@H]1CCOC1)Cc1nnc[nH]1 ZINC000645813478 387979158 /nfs/dbraw/zinc/97/91/58/387979158.db2.gz ULYQWOBKBGKJEZ-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO C[N@@H+](CCC[C@@H]1CCOC1)Cc1nnc[nH]1 ZINC000645813478 387979162 /nfs/dbraw/zinc/97/91/62/387979162.db2.gz ULYQWOBKBGKJEZ-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@H](C)[C@@H](C)O1 ZINC000446071755 387994310 /nfs/dbraw/zinc/99/43/10/387994310.db2.gz RHLYUKKODORDMK-GMTAPVOTSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@H](C)[C@@H](C)O1 ZINC000446071755 387994312 /nfs/dbraw/zinc/99/43/12/387994312.db2.gz RHLYUKKODORDMK-GMTAPVOTSA-N 1 2 242.363 1.399 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446083945 387998321 /nfs/dbraw/zinc/99/83/21/387998321.db2.gz SJBLZPYAGYGXFN-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446083945 387998324 /nfs/dbraw/zinc/99/83/24/387998324.db2.gz SJBLZPYAGYGXFN-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)no1 ZINC000446083388 387998417 /nfs/dbraw/zinc/99/84/17/387998417.db2.gz RGEFGUSVGVGDCJ-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)no1 ZINC000446083388 387998421 /nfs/dbraw/zinc/99/84/21/387998421.db2.gz RGEFGUSVGVGDCJ-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)s2)CCCO1 ZINC000439487062 388004717 /nfs/dbraw/zinc/00/47/17/388004717.db2.gz PDVBXOPDRPGENO-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)s2)CCCO1 ZINC000439487062 388004721 /nfs/dbraw/zinc/00/47/21/388004721.db2.gz PDVBXOPDRPGENO-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO C[N@H+](Cc1csnn1)[C@H]1CC[C@H](O)CC1 ZINC000439770336 388019071 /nfs/dbraw/zinc/01/90/71/388019071.db2.gz QNENQISINIBHRR-MGCOHNPYSA-N 1 2 227.333 1.273 20 0 BDADLO C[N@@H+](Cc1csnn1)[C@H]1CC[C@H](O)CC1 ZINC000439770336 388019075 /nfs/dbraw/zinc/01/90/75/388019075.db2.gz QNENQISINIBHRR-MGCOHNPYSA-N 1 2 227.333 1.273 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC12CCC2 ZINC000440268015 388037774 /nfs/dbraw/zinc/03/77/74/388037774.db2.gz FWLOADBMVCHZMI-LLVKDONJSA-N 1 2 245.326 1.601 20 0 BDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC000116884401 388072669 /nfs/dbraw/zinc/07/26/69/388072669.db2.gz VCQZQKUFTILKMN-VIFPVBQESA-N 1 2 232.299 1.555 20 0 BDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC000116884401 388072672 /nfs/dbraw/zinc/07/26/72/388072672.db2.gz VCQZQKUFTILKMN-VIFPVBQESA-N 1 2 232.299 1.555 20 0 BDADLO FC(F)(F)OCC[NH2+]Cc1csnn1 ZINC000336657869 388073563 /nfs/dbraw/zinc/07/35/63/388073563.db2.gz PXYBHMYWDOBIHA-UHFFFAOYSA-N 1 2 227.211 1.164 20 0 BDADLO C[C@@H]([NH2+]CCn1cccn1)C(=O)OC(C)(C)C ZINC000084222075 388074608 /nfs/dbraw/zinc/07/46/08/388074608.db2.gz SVWDVHZJGMSSDH-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO CNc1[nH+]cnc2c1c(Br)nn2C ZINC000084549185 388079174 /nfs/dbraw/zinc/07/91/74/388079174.db2.gz MKBMPXXKZZWSFI-UHFFFAOYSA-N 1 2 242.080 1.168 20 0 BDADLO Cn1ccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000336660037 388087974 /nfs/dbraw/zinc/08/79/74/388087974.db2.gz RDESSEPDCGYTPB-UHFFFAOYSA-N 1 2 200.232 1.912 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000447873924 388099190 /nfs/dbraw/zinc/09/91/90/388099190.db2.gz ULECPKQBBKPVQO-BDAKNGLRSA-N 1 2 239.319 1.396 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000447873924 388099194 /nfs/dbraw/zinc/09/91/94/388099194.db2.gz ULECPKQBBKPVQO-BDAKNGLRSA-N 1 2 239.319 1.396 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC(C)C ZINC000454135760 388100623 /nfs/dbraw/zinc/10/06/23/388100623.db2.gz PPDHHIOJRSBMKU-SECBINFHSA-N 1 2 224.308 1.672 20 0 BDADLO Cc1nc(N[C@@H](C(C)C)C2CC2)nc(N)[nH+]1 ZINC000324071653 388100798 /nfs/dbraw/zinc/10/07/98/388100798.db2.gz KCBUDMMPYCTFBZ-VIFPVBQESA-N 1 2 221.308 1.609 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C(C)C)C2CC2)[nH+]1 ZINC000324071653 388100801 /nfs/dbraw/zinc/10/08/01/388100801.db2.gz KCBUDMMPYCTFBZ-VIFPVBQESA-N 1 2 221.308 1.609 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000440496176 388045339 /nfs/dbraw/zinc/04/53/39/388045339.db2.gz NSAUCERZOABRTP-BHDSKKPTSA-N 1 2 221.341 1.435 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000440496176 388045344 /nfs/dbraw/zinc/04/53/44/388045344.db2.gz NSAUCERZOABRTP-BHDSKKPTSA-N 1 2 221.341 1.435 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000440496781 388045702 /nfs/dbraw/zinc/04/57/02/388045702.db2.gz FZLVVVMIARDIOH-SDDRHHMPSA-N 1 2 243.322 1.805 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000440496781 388045705 /nfs/dbraw/zinc/04/57/05/388045705.db2.gz FZLVVVMIARDIOH-SDDRHHMPSA-N 1 2 243.322 1.805 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000440504822 388046567 /nfs/dbraw/zinc/04/65/67/388046567.db2.gz MWOZJTXTMJQFDZ-JIXVBMEVSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000440504822 388046569 /nfs/dbraw/zinc/04/65/69/388046569.db2.gz MWOZJTXTMJQFDZ-JIXVBMEVSA-N 1 2 221.341 1.576 20 0 BDADLO CC[C@H](F)C[N@H+](CCOC)Cc1ccnn1C ZINC000440504345 388047540 /nfs/dbraw/zinc/04/75/40/388047540.db2.gz WMKLBQLUSBHWGA-NSHDSACASA-N 1 2 243.326 1.617 20 0 BDADLO CC[C@H](F)C[N@@H+](CCOC)Cc1ccnn1C ZINC000440504345 388047544 /nfs/dbraw/zinc/04/75/44/388047544.db2.gz WMKLBQLUSBHWGA-NSHDSACASA-N 1 2 243.326 1.617 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000440520798 388050301 /nfs/dbraw/zinc/05/03/01/388050301.db2.gz QGRAVAQYFKTZIT-OUAUKWLOSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000440520798 388050304 /nfs/dbraw/zinc/05/03/04/388050304.db2.gz QGRAVAQYFKTZIT-OUAUKWLOSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000440520796 388050567 /nfs/dbraw/zinc/05/05/67/388050567.db2.gz QGRAVAQYFKTZIT-DCAQKATOSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000440520796 388050569 /nfs/dbraw/zinc/05/05/69/388050569.db2.gz QGRAVAQYFKTZIT-DCAQKATOSA-N 1 2 219.300 1.206 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OC ZINC000449258368 388163320 /nfs/dbraw/zinc/16/33/20/388163320.db2.gz PEYLYDJFMDGEEI-KXUCPTDWSA-N 1 2 231.361 1.669 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cnn(C)c1 ZINC000195513979 388165642 /nfs/dbraw/zinc/16/56/42/388165642.db2.gz FHELQKHUASUAQM-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCOC1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000449297485 388168930 /nfs/dbraw/zinc/16/89/30/388168930.db2.gz GOYSFGSFJKEMIK-UHFFFAOYSA-N 1 2 237.303 1.604 20 0 BDADLO CCC(=O)N1CC[N@H+](CC2=CCCC2)C1 ZINC000645929070 388169954 /nfs/dbraw/zinc/16/99/54/388169954.db2.gz KWYNQYKXSPTOHA-UHFFFAOYSA-N 1 2 208.305 1.608 20 0 BDADLO CCC(=O)N1CC[N@@H+](CC2=CCCC2)C1 ZINC000645929070 388169956 /nfs/dbraw/zinc/16/99/56/388169956.db2.gz KWYNQYKXSPTOHA-UHFFFAOYSA-N 1 2 208.305 1.608 20 0 BDADLO O=C([C@H]1CC=CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646257737 388171811 /nfs/dbraw/zinc/17/18/11/388171811.db2.gz GLBZVNZMNGTCSX-JTQLQIEISA-N 1 2 231.299 1.651 20 0 BDADLO O=C([C@H]1CC=CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646257737 388171813 /nfs/dbraw/zinc/17/18/13/388171813.db2.gz GLBZVNZMNGTCSX-JTQLQIEISA-N 1 2 231.299 1.651 20 0 BDADLO Cc1c[nH+]c(CN(C2CC2)C2COC2)n1C ZINC000449352670 388179789 /nfs/dbraw/zinc/17/97/89/388179789.db2.gz XMSXYTRBAQSMAR-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO CCOc1cccc(C[N@H+](C2CC2)C2COC2)n1 ZINC000449352702 388180126 /nfs/dbraw/zinc/18/01/26/388180126.db2.gz XYVPXSHFNBSUGB-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1cccc(C[N@@H+](C2CC2)C2COC2)n1 ZINC000449352702 388180129 /nfs/dbraw/zinc/18/01/29/388180129.db2.gz XYVPXSHFNBSUGB-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@H](NCc1[nH+]cc(C)n1C)C(F)F ZINC000449357158 388180787 /nfs/dbraw/zinc/18/07/87/388180787.db2.gz BUZMTAHFRCVSQN-MRVPVSSYSA-N 1 2 217.263 1.862 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCOCC1(C)C ZINC000449013988 388130172 /nfs/dbraw/zinc/13/01/72/388130172.db2.gz GFPKGQHKIIRYSP-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCOCC1(C)C ZINC000449013988 388130174 /nfs/dbraw/zinc/13/01/74/388130174.db2.gz GFPKGQHKIIRYSP-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]cn1 ZINC000646047107 388132005 /nfs/dbraw/zinc/13/20/05/388132005.db2.gz VPPDEBQXTKKFNS-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO COc1nccnc1C[N@H+](C)Cc1cccn1C ZINC000449026746 388132039 /nfs/dbraw/zinc/13/20/39/388132039.db2.gz GSYRDWWVTYIPEW-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1nccnc1C[N@@H+](C)Cc1cccn1C ZINC000449026746 388132040 /nfs/dbraw/zinc/13/20/40/388132040.db2.gz GSYRDWWVTYIPEW-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)nn1C ZINC000646060793 388135314 /nfs/dbraw/zinc/13/53/14/388135314.db2.gz QJQXYZCWRAMKJP-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)nn1C ZINC000646060793 388135315 /nfs/dbraw/zinc/13/53/15/388135315.db2.gz QJQXYZCWRAMKJP-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO CNC(=O)[C@@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000171987209 388136727 /nfs/dbraw/zinc/13/67/27/388136727.db2.gz XTUZTCJMFHKVCS-JTQLQIEISA-N 1 2 248.330 1.315 20 0 BDADLO CCc1coc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000646080477 388138967 /nfs/dbraw/zinc/13/89/67/388138967.db2.gz FZHQACUBJUBHQY-UHFFFAOYSA-N 1 2 248.286 1.852 20 0 BDADLO COCC(C)(C)C[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449659021 388249303 /nfs/dbraw/zinc/24/93/03/388249303.db2.gz COAYZBUOZZZUMV-JTQLQIEISA-N 1 2 231.336 1.589 20 0 BDADLO CCSCC[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449658451 388249834 /nfs/dbraw/zinc/24/98/34/388249834.db2.gz AXPDJRFMYZYBEO-VIFPVBQESA-N 1 2 219.350 1.669 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccncc1 ZINC000456352435 388197034 /nfs/dbraw/zinc/19/70/34/388197034.db2.gz NCTQPHXHHMFXFA-SNVBAGLBSA-N 1 2 244.298 1.789 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CC1CC1 ZINC000456388070 388198583 /nfs/dbraw/zinc/19/85/83/388198583.db2.gz NTOJYQQAOXDPFL-SECBINFHSA-N 1 2 221.304 1.880 20 0 BDADLO Cc1c[nH+]c(CN(C)CC(C)(C)CO)n1C ZINC000449418269 388200048 /nfs/dbraw/zinc/20/00/48/388200048.db2.gz BYARAECYOMZTLW-UHFFFAOYSA-N 1 2 225.336 1.179 20 0 BDADLO CCn1ncnc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000488988515 388200483 /nfs/dbraw/zinc/20/04/83/388200483.db2.gz UXYPLCKRGNAIPZ-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000488988515 388200485 /nfs/dbraw/zinc/20/04/85/388200485.db2.gz UXYPLCKRGNAIPZ-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000488992695 388200707 /nfs/dbraw/zinc/20/07/07/388200707.db2.gz LDDYMJSDQQFUIP-WDEREUQCSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000488992695 388200709 /nfs/dbraw/zinc/20/07/09/388200709.db2.gz LDDYMJSDQQFUIP-WDEREUQCSA-N 1 2 238.335 1.155 20 0 BDADLO CC[N@H+](Cc1cc(C(N)=O)cs1)C1COC1 ZINC000449421463 388201152 /nfs/dbraw/zinc/20/11/52/388201152.db2.gz AHJDSOJDGWANQQ-UHFFFAOYSA-N 1 2 240.328 1.068 20 0 BDADLO CC[N@@H+](Cc1cc(C(N)=O)cs1)C1COC1 ZINC000449421463 388201154 /nfs/dbraw/zinc/20/11/54/388201154.db2.gz AHJDSOJDGWANQQ-UHFFFAOYSA-N 1 2 240.328 1.068 20 0 BDADLO COCC1(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000456855071 388227771 /nfs/dbraw/zinc/22/77/71/388227771.db2.gz ZEIFSFWEEOERCK-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO CC[C@H](OC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456867866 388228685 /nfs/dbraw/zinc/22/86/85/388228685.db2.gz WJRPUIXDQHGMSA-LBPRGKRZSA-N 1 2 236.315 1.740 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000489970384 388230180 /nfs/dbraw/zinc/23/01/80/388230180.db2.gz YETVDIXLCGYONH-RKDXNWHRSA-N 1 2 235.335 1.338 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)[C@H](C)C2)[nH+]1 ZINC000489970384 388230181 /nfs/dbraw/zinc/23/01/81/388230181.db2.gz YETVDIXLCGYONH-RKDXNWHRSA-N 1 2 235.335 1.338 20 0 BDADLO CC[C@@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000490047839 388232627 /nfs/dbraw/zinc/23/26/27/388232627.db2.gz KLPCDMIVEBFLMO-CYBMUJFWSA-N 1 2 233.315 1.705 20 0 BDADLO CC[C@H](C)N(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000490075662 388233623 /nfs/dbraw/zinc/23/36/23/388233623.db2.gz YBFYGNYZRLTNBU-QMMMGPOBSA-N 1 2 223.324 1.481 20 0 BDADLO CC[C@H](C)N(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000490075662 388233626 /nfs/dbraw/zinc/23/36/26/388233626.db2.gz YBFYGNYZRLTNBU-QMMMGPOBSA-N 1 2 223.324 1.481 20 0 BDADLO COCC[N@H+](Cc1ncc(C)o1)[C@@H]1CCOC1 ZINC000490090078 388234713 /nfs/dbraw/zinc/23/47/13/388234713.db2.gz NMADYTPEHMQQGF-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[N@@H+](Cc1ncc(C)o1)[C@@H]1CCOC1 ZINC000490090078 388234717 /nfs/dbraw/zinc/23/47/17/388234717.db2.gz NMADYTPEHMQQGF-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COC(=O)N1CC[NH+](C/C=C\Cl)CC1 ZINC000490668093 388246643 /nfs/dbraw/zinc/24/66/43/388246643.db2.gz AKTIWGICHHJVSW-IHWYPQMZSA-N 1 2 218.684 1.123 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H](O)C(C)(C)C ZINC000451836767 388298786 /nfs/dbraw/zinc/29/87/86/388298786.db2.gz PUAYPWIJESZFIU-DTWKUNHWSA-N 1 2 239.306 1.341 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H](O)C(C)(C)C ZINC000451836767 388298788 /nfs/dbraw/zinc/29/87/88/388298788.db2.gz PUAYPWIJESZFIU-DTWKUNHWSA-N 1 2 239.306 1.341 20 0 BDADLO CCC[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451839929 388299674 /nfs/dbraw/zinc/29/96/74/388299674.db2.gz SDRDUXZESJOZFO-RKDXNWHRSA-N 1 2 225.279 1.095 20 0 BDADLO CCC[C@@H](O)C[N@H+](CC(F)F)C[C@@H](C)O ZINC000451839929 388299675 /nfs/dbraw/zinc/29/96/75/388299675.db2.gz SDRDUXZESJOZFO-RKDXNWHRSA-N 1 2 225.279 1.095 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000451838280 388299711 /nfs/dbraw/zinc/29/97/11/388299711.db2.gz IQJZIOXLBBSJLM-MJBXVCDLSA-N 1 2 240.391 1.970 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000451838277 388299960 /nfs/dbraw/zinc/29/99/60/388299960.db2.gz IQJZIOXLBBSJLM-BFHYXJOUSA-N 1 2 240.391 1.970 20 0 BDADLO O=C(/C=C/c1ccsc1)NCCc1[nH]cc[nH+]1 ZINC000491910841 388327414 /nfs/dbraw/zinc/32/74/14/388327414.db2.gz CIEIITGORZCWKZ-OWOJBTEDSA-N 1 2 247.323 1.843 20 0 BDADLO C/C=C/C=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000491925672 388328069 /nfs/dbraw/zinc/32/80/69/388328069.db2.gz OCOPGRPIHCUABU-UXVFWXEMSA-N 1 2 233.315 1.768 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000491953663 388329340 /nfs/dbraw/zinc/32/93/40/388329340.db2.gz KTDXKLXXIFEZOQ-ARJAWSKDSA-N 1 2 242.282 1.308 20 0 BDADLO C[N@H+](Cc1ccccn1)[C@@H]1CCN(C2CC2)C1=O ZINC000451381365 388267989 /nfs/dbraw/zinc/26/79/89/388267989.db2.gz YBSXYZKMNBCBRC-CYBMUJFWSA-N 1 2 245.326 1.277 20 0 BDADLO C[N@@H+](Cc1ccccn1)[C@@H]1CCN(C2CC2)C1=O ZINC000451381365 388267991 /nfs/dbraw/zinc/26/79/91/388267991.db2.gz YBSXYZKMNBCBRC-CYBMUJFWSA-N 1 2 245.326 1.277 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CCN1c1cc[nH+]c(C)n1 ZINC000491246372 388279848 /nfs/dbraw/zinc/27/98/48/388279848.db2.gz FPAPXWKJYLHFAN-LLVKDONJSA-N 1 2 248.330 1.232 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC(C1CC1)C1CC1 ZINC000493656064 388344855 /nfs/dbraw/zinc/34/48/55/388344855.db2.gz HJWXTGPKHRYOTG-AATRIKPKSA-N 1 2 245.326 1.975 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)CC(C)(C)C ZINC000524024832 388346569 /nfs/dbraw/zinc/34/65/69/388346569.db2.gz BAEFVLIUPNYVLZ-UHFFFAOYSA-N 1 2 239.367 1.951 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)CC(C)(C)C ZINC000524024832 388346571 /nfs/dbraw/zinc/34/65/71/388346571.db2.gz BAEFVLIUPNYVLZ-UHFFFAOYSA-N 1 2 239.367 1.951 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2ncnn2C)o1 ZINC000276674626 388350548 /nfs/dbraw/zinc/35/05/48/388350548.db2.gz KUQXDDOLFWOGMK-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO COC1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CC1 ZINC000648721812 388355808 /nfs/dbraw/zinc/35/58/08/388355808.db2.gz MGSZDYZQAKBHKN-UHFFFAOYSA-N 1 2 245.282 1.989 20 0 BDADLO COC1(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)CC1 ZINC000648721812 388355810 /nfs/dbraw/zinc/35/58/10/388355810.db2.gz MGSZDYZQAKBHKN-UHFFFAOYSA-N 1 2 245.282 1.989 20 0 BDADLO Cc1ncccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524399232 388358237 /nfs/dbraw/zinc/35/82/37/388358237.db2.gz CQBAHMSDUUBJMY-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO C[C@]1([NH2+]CCc2ccccc2)CCOC1=O ZINC000289584234 388361986 /nfs/dbraw/zinc/36/19/86/388361986.db2.gz PIPDLLPQRBJBLJ-ZDUSSCGKSA-N 1 2 219.284 1.524 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccccc2Cl)n1 ZINC000290160472 388365186 /nfs/dbraw/zinc/36/51/86/388365186.db2.gz PXWLCSMIFFBTQM-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO C[C@@H](NC(=O)c1cncs1)c1[nH]cc[nH+]1 ZINC000235206164 388366354 /nfs/dbraw/zinc/36/63/54/388366354.db2.gz WKAZAMYEVAUKNT-ZCFIWIBFSA-N 1 2 222.273 1.357 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)no1 ZINC000305210452 388367597 /nfs/dbraw/zinc/36/75/97/388367597.db2.gz ZTSALMKKUQOKGW-SECBINFHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]2C(C)(C)O)no1 ZINC000305210452 388367599 /nfs/dbraw/zinc/36/75/99/388367599.db2.gz ZTSALMKKUQOKGW-SECBINFHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CCC(=O)C2)[nH+]1 ZINC000573008839 388405402 /nfs/dbraw/zinc/40/54/02/388405402.db2.gz CTVZGKJVXHYPMP-SECBINFHSA-N 1 2 249.314 1.439 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572774042 388375861 /nfs/dbraw/zinc/37/58/61/388375861.db2.gz QSPBFIPFYNCKNK-BDAKNGLRSA-N 1 2 237.303 1.186 20 0 BDADLO Cc1nc(NCc2ccncn2)cc[nH+]1 ZINC000235972680 388376367 /nfs/dbraw/zinc/37/63/67/388376367.db2.gz JEJGADJNNCANQM-UHFFFAOYSA-N 1 2 201.233 1.187 20 0 BDADLO CCO[C@H]1C[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000572816333 388378986 /nfs/dbraw/zinc/37/89/86/388378986.db2.gz YLLZXIVDBJPDJB-MNOVXSKESA-N 1 2 245.282 1.242 20 0 BDADLO Cc1cc[nH+]cc1NCc1cnn(C)n1 ZINC000292750795 388382987 /nfs/dbraw/zinc/38/29/87/388382987.db2.gz BFZQWJZOAPUAGS-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CO[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000292809645 388383159 /nfs/dbraw/zinc/38/31/59/388383159.db2.gz NYHQHPLHMXSJEM-JTQLQIEISA-N 1 2 247.302 1.200 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CC1(F)F)c1[nH]cc[nH+]1 ZINC000572889550 388384335 /nfs/dbraw/zinc/38/43/35/388384335.db2.gz RPMCPXZRKZLOOI-LURJTMIESA-N 1 2 229.230 1.416 20 0 BDADLO Cn1nc2c(c1C[NH2+]Cc1cocn1)CCCC2 ZINC000519796671 256660331 /nfs/dbraw/zinc/66/03/31/256660331.db2.gz PQSUBACZEYRJCD-UHFFFAOYSA-N 1 2 246.314 1.577 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC ZINC000236934809 388386564 /nfs/dbraw/zinc/38/65/64/388386564.db2.gz NAQNLYGGMDVZJG-AXFHLTTASA-N 1 2 242.363 1.434 20 0 BDADLO CCC[C@H]([NH2+]CCOCC)C(=O)OCC ZINC000097988222 256663591 /nfs/dbraw/zinc/66/35/91/256663591.db2.gz DPPKQJIEWDWSPS-JTQLQIEISA-N 1 2 217.309 1.344 20 0 BDADLO Cc1c[nH+]cc(NCc2cnn(C)n2)c1 ZINC000293370607 388388536 /nfs/dbraw/zinc/38/85/36/388388536.db2.gz VHNYCHHIQLXROX-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178781291 256665489 /nfs/dbraw/zinc/66/54/89/256665489.db2.gz RKOFNHPLFQHQCK-JTQLQIEISA-N 1 2 235.331 1.608 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@H](C)c1nccc(N)n1 ZINC000573016130 388406846 /nfs/dbraw/zinc/40/68/46/388406846.db2.gz IKQNEORFLFDQAA-SNVBAGLBSA-N 1 2 246.314 1.984 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@H](C)c1nccc(N)n1 ZINC000573016130 388406847 /nfs/dbraw/zinc/40/68/47/388406847.db2.gz IKQNEORFLFDQAA-SNVBAGLBSA-N 1 2 246.314 1.984 20 0 BDADLO C[C@H]1C[N@H+](CCF)CCN1C(=O)OC(C)(C)C ZINC000238465011 388402294 /nfs/dbraw/zinc/40/22/94/388402294.db2.gz ORPLTYXIANACON-JTQLQIEISA-N 1 2 246.326 1.897 20 0 BDADLO C[C@H]1C[N@@H+](CCF)CCN1C(=O)OC(C)(C)C ZINC000238465011 388402295 /nfs/dbraw/zinc/40/22/95/388402295.db2.gz ORPLTYXIANACON-JTQLQIEISA-N 1 2 246.326 1.897 20 0 BDADLO C/C=C/C=C\C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000492262859 388339731 /nfs/dbraw/zinc/33/97/31/388339731.db2.gz JCXJSFKLIPCWHP-WBOWPWJFSA-N 1 2 245.326 1.868 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000573297464 388440562 /nfs/dbraw/zinc/44/05/62/388440562.db2.gz BPAJYTRXQJLNLJ-GRYCIOLGSA-N 1 2 235.331 1.824 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333708265 388442896 /nfs/dbraw/zinc/44/28/96/388442896.db2.gz IASVMJMLIDGSAV-AYMMMOKOSA-N 1 2 229.287 1.574 20 0 BDADLO CC(C)OCCN1CC[NH+](CC2(F)CC2)CC1 ZINC000525978732 388443103 /nfs/dbraw/zinc/44/31/03/388443103.db2.gz ZTKWLJMONLVUBP-UHFFFAOYSA-N 1 2 244.354 1.531 20 0 BDADLO CCOCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000330363626 388443628 /nfs/dbraw/zinc/44/36/28/388443628.db2.gz MLRUBFPUJCMFSF-UHFFFAOYSA-N 1 2 213.281 1.239 20 0 BDADLO FC1(C[NH2+]Cc2nncn2-c2ccccc2)CC1 ZINC000525981037 388446303 /nfs/dbraw/zinc/44/63/03/388446303.db2.gz GYGCMYSYJDNALQ-UHFFFAOYSA-N 1 2 246.289 1.859 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000515499249 256749387 /nfs/dbraw/zinc/74/93/87/256749387.db2.gz DHGMFVOPJDNOEE-NXEZZACHSA-N 1 2 236.319 1.939 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000336724990 388470045 /nfs/dbraw/zinc/47/00/45/388470045.db2.gz BMGGWKOXFOFXSE-UTINFBMNSA-N 1 2 229.320 1.197 20 0 BDADLO OCc1ccc(CNc2cccc[nH+]2)o1 ZINC000165878456 388412202 /nfs/dbraw/zinc/41/22/02/388412202.db2.gz MSIBNJPOUHRYCN-UHFFFAOYSA-N 1 2 204.229 1.779 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCOC1(C)C ZINC000296277743 388420501 /nfs/dbraw/zinc/42/05/01/388420501.db2.gz KSVJDBCDGIMBMX-VIFPVBQESA-N 1 2 247.302 1.343 20 0 BDADLO COC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000525251659 388422046 /nfs/dbraw/zinc/42/20/46/388422046.db2.gz JWPUIYUGZDGZAV-JTQLQIEISA-N 1 2 225.292 1.119 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)o1 ZINC000525266677 388423392 /nfs/dbraw/zinc/42/33/92/388423392.db2.gz RSGPGTVTLVLJJD-SECBINFHSA-N 1 2 238.287 1.232 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@@H](C(=O)OC)C2)o1 ZINC000525266677 388423394 /nfs/dbraw/zinc/42/33/94/388423394.db2.gz RSGPGTVTLVLJJD-SECBINFHSA-N 1 2 238.287 1.232 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000322508288 388436838 /nfs/dbraw/zinc/43/68/38/388436838.db2.gz IEJAPBFGWBEFRU-PWSUYJOCSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC ZINC000322536104 388437891 /nfs/dbraw/zinc/43/78/91/388437891.db2.gz RJIVHPCKBNSMEU-MWLCHTKSSA-N 1 2 217.309 1.343 20 0 BDADLO CCC[NH2+][C@H](C)C(=O)N=c1[nH][nH]c(CC)c1C ZINC000517234162 388543823 /nfs/dbraw/zinc/54/38/23/388543823.db2.gz WFYSKWAIPFZNHX-SECBINFHSA-N 1 2 238.335 1.029 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1nccs1 ZINC000548520061 388545508 /nfs/dbraw/zinc/54/55/08/388545508.db2.gz UMHORJFENUQCBE-UHFFFAOYSA-N 1 2 222.273 1.058 20 0 BDADLO Cc1cnc(NC(=O)Cc2c[nH+]cn2C)s1 ZINC000548519635 388545736 /nfs/dbraw/zinc/54/57/36/388545736.db2.gz NPWQYCRMEMDLCV-UHFFFAOYSA-N 1 2 236.300 1.366 20 0 BDADLO CCOCC[N@H+](CC)Cc1nccnc1OC ZINC000449020528 256781610 /nfs/dbraw/zinc/78/16/10/256781610.db2.gz QIDLZQQSJDLDBR-UHFFFAOYSA-N 1 2 239.319 1.344 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nccnc1OC ZINC000449020528 256781612 /nfs/dbraw/zinc/78/16/12/256781612.db2.gz QIDLZQQSJDLDBR-UHFFFAOYSA-N 1 2 239.319 1.344 20 0 BDADLO CCCn1nccc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000520841388 388546622 /nfs/dbraw/zinc/54/66/22/388546622.db2.gz PZYJVIQKTZLVPO-UHFFFAOYSA-N 1 2 245.286 1.353 20 0 BDADLO O=C([C@@H]1CCCC12CC2)N1CC(n2cc[nH+]c2)C1 ZINC000528569045 388546877 /nfs/dbraw/zinc/54/68/77/388546877.db2.gz MYDDVJTTXSOTJW-LBPRGKRZSA-N 1 2 245.326 1.847 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2CC23CCC3)c[nH+]1 ZINC000648901853 388486642 /nfs/dbraw/zinc/48/66/42/388486642.db2.gz DHPNACDNXIOTSN-SNVBAGLBSA-N 1 2 246.314 1.004 20 0 BDADLO CC(C)(CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000340150367 388487969 /nfs/dbraw/zinc/48/79/69/388487969.db2.gz VDYHIQHKIOEQHA-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc(F)cc1F ZINC000340288943 388488693 /nfs/dbraw/zinc/48/86/93/388488693.db2.gz NTUYWORYJHCSHB-SSDOTTSWSA-N 1 2 238.241 1.934 20 0 BDADLO CSC[C@H]1CCC[N@@H+]1Cc1noc(C)n1 ZINC000135482746 388497410 /nfs/dbraw/zinc/49/74/10/388497410.db2.gz STEMUNSGJVTWDC-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO CSC[C@H]1CCC[N@H+]1Cc1noc(C)n1 ZINC000135482746 388497414 /nfs/dbraw/zinc/49/74/14/388497414.db2.gz STEMUNSGJVTWDC-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@@]1(C)C[N@H+](CC(=O)NCC(C)C)CCO1 ZINC000135599353 388502911 /nfs/dbraw/zinc/50/29/11/388502911.db2.gz OTCOUNFGYAPDNE-ZDUSSCGKSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CC(=O)NCC(C)C)CCO1 ZINC000135599353 388502914 /nfs/dbraw/zinc/50/29/14/388502914.db2.gz OTCOUNFGYAPDNE-ZDUSSCGKSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@]1(C)C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000135618749 388503260 /nfs/dbraw/zinc/50/32/60/388503260.db2.gz XVNFXEOUOMCCNU-ZDUSSCGKSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000135618749 388503262 /nfs/dbraw/zinc/50/32/62/388503262.db2.gz XVNFXEOUOMCCNU-ZDUSSCGKSA-N 1 2 240.347 1.110 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135658470 388503635 /nfs/dbraw/zinc/50/36/35/388503635.db2.gz BFDLERNIAIHLKX-LBPRGKRZSA-N 1 2 228.336 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135658470 388503636 /nfs/dbraw/zinc/50/36/36/388503636.db2.gz BFDLERNIAIHLKX-LBPRGKRZSA-N 1 2 228.336 1.014 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135647229 388503822 /nfs/dbraw/zinc/50/38/22/388503822.db2.gz MGAUDWCHVNRBAU-YPMHNXCESA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135647229 388503824 /nfs/dbraw/zinc/50/38/24/388503824.db2.gz MGAUDWCHVNRBAU-YPMHNXCESA-N 1 2 243.347 1.829 20 0 BDADLO CN1C(=O)c2ccccc2N[C@@H]1c1c[nH]c[nH+]1 ZINC000078753394 388512499 /nfs/dbraw/zinc/51/24/99/388512499.db2.gz YFNRQUNWJPQTRI-NSHDSACASA-N 1 2 228.255 1.606 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548133205 388515922 /nfs/dbraw/zinc/51/59/22/388515922.db2.gz YPLRAHAVLATRHU-VXGBXAGGSA-N 1 2 235.331 1.371 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(CC(F)F)C1 ZINC000516763230 388516300 /nfs/dbraw/zinc/51/63/00/388516300.db2.gz KCBCSBIOXACWPG-UHFFFAOYSA-N 1 2 243.257 1.076 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000345835001 388516746 /nfs/dbraw/zinc/51/67/46/388516746.db2.gz NGYIMDBUPWQZLU-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000345835001 388516750 /nfs/dbraw/zinc/51/67/50/388516750.db2.gz NGYIMDBUPWQZLU-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000517039820 256812788 /nfs/dbraw/zinc/81/27/88/256812788.db2.gz KNTGYGZPAFQLAA-MRVPVSSYSA-N 1 2 232.287 1.791 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCC12CC2 ZINC000528411045 388521427 /nfs/dbraw/zinc/52/14/27/388521427.db2.gz KBVVGYQGLNQLFK-JTQLQIEISA-N 1 2 233.315 1.617 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCc1cc[nH]n1 ZINC000079045386 388522544 /nfs/dbraw/zinc/52/25/44/388522544.db2.gz YRKGSBIGEDUQJE-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO O[C@H](C[N@@H+]1CCC=C(F)C1)CC1(O)CCC1 ZINC000528432228 388524671 /nfs/dbraw/zinc/52/46/71/388524671.db2.gz PEEDBAHZASQMJA-NSHDSACASA-N 1 2 229.295 1.212 20 0 BDADLO O[C@H](C[N@H+]1CCC=C(F)C1)CC1(O)CCC1 ZINC000528432228 388524673 /nfs/dbraw/zinc/52/46/73/388524673.db2.gz PEEDBAHZASQMJA-NSHDSACASA-N 1 2 229.295 1.212 20 0 BDADLO CC(C)(NC(=O)c1ccncc1F)c1[nH]cc[nH+]1 ZINC000516932942 388526521 /nfs/dbraw/zinc/52/65/21/388526521.db2.gz JZRZTLIDJBFDBI-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO C[N@H+](Cc1ncccc1Cl)C1CC(O)C1 ZINC000528446265 388527429 /nfs/dbraw/zinc/52/74/29/388527429.db2.gz BNTHNEUVEXFHOO-UHFFFAOYSA-N 1 2 226.707 1.690 20 0 BDADLO C[N@@H+](Cc1ncccc1Cl)C1CC(O)C1 ZINC000528446265 388527431 /nfs/dbraw/zinc/52/74/31/388527431.db2.gz BNTHNEUVEXFHOO-UHFFFAOYSA-N 1 2 226.707 1.690 20 0 BDADLO C[N@H+](CCCCO)Cc1nc(C2CC2)no1 ZINC000349923951 388529018 /nfs/dbraw/zinc/52/90/18/388529018.db2.gz YNOMXRSYNOZVON-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[N@@H+](CCCCO)Cc1nc(C2CC2)no1 ZINC000349923951 388529022 /nfs/dbraw/zinc/52/90/22/388529022.db2.gz YNOMXRSYNOZVON-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO Cc1cocc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000528474050 388531046 /nfs/dbraw/zinc/53/10/46/388531046.db2.gz GZEIKAXZSNAZNM-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000528477008 388532175 /nfs/dbraw/zinc/53/21/75/388532175.db2.gz ULGKWEQVYRZQCI-PGNDRMTNSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000528477008 388532176 /nfs/dbraw/zinc/53/21/76/388532176.db2.gz ULGKWEQVYRZQCI-PGNDRMTNSA-N 1 2 219.712 1.211 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCC12CC2 ZINC000528479339 388532939 /nfs/dbraw/zinc/53/29/39/388532939.db2.gz WKNZTMFERHAVDU-JTQLQIEISA-N 1 2 233.315 1.948 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@]12CCOC2 ZINC000528495211 388534869 /nfs/dbraw/zinc/53/48/69/388534869.db2.gz SOJAYORCTXQMLM-IADHUWGXSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCOC[C@]12CCOC2 ZINC000528495211 388534872 /nfs/dbraw/zinc/53/48/72/388534872.db2.gz SOJAYORCTXQMLM-IADHUWGXSA-N 1 2 231.723 1.620 20 0 BDADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)CCc1[nH]cc[nH+]1 ZINC000529795797 388589816 /nfs/dbraw/zinc/58/98/16/388589816.db2.gz OEIRJXQNQBTBAZ-TVQRCGJNSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c[nH+]1 ZINC000529982466 388601092 /nfs/dbraw/zinc/60/10/92/388601092.db2.gz RNXMMBNZOMTEOO-GLLZPBPUSA-N 1 2 237.303 1.260 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)no1 ZINC000187436149 388608496 /nfs/dbraw/zinc/60/84/96/388608496.db2.gz WYIMPVHGSCQODU-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)no1 ZINC000187436149 388608497 /nfs/dbraw/zinc/60/84/97/388608497.db2.gz WYIMPVHGSCQODU-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO c1cnn(CC[N@@H+]2Cc3cccnc3C2)c1 ZINC000550654077 388612394 /nfs/dbraw/zinc/61/23/94/388612394.db2.gz KQEGWIMPHYJEHN-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO c1cnn(CC[N@H+]2Cc3cccnc3C2)c1 ZINC000550654077 388612396 /nfs/dbraw/zinc/61/23/96/388612396.db2.gz KQEGWIMPHYJEHN-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO Cc1noc(CCC[N@@H+]2Cc3cccnc3C2)n1 ZINC000550656167 388612485 /nfs/dbraw/zinc/61/24/85/388612485.db2.gz AMOTYDBHBDZTQQ-UHFFFAOYSA-N 1 2 244.298 1.721 20 0 BDADLO Cc1noc(CCC[N@H+]2Cc3cccnc3C2)n1 ZINC000550656167 388612486 /nfs/dbraw/zinc/61/24/86/388612486.db2.gz AMOTYDBHBDZTQQ-UHFFFAOYSA-N 1 2 244.298 1.721 20 0 BDADLO CCOCC[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528622630 388552265 /nfs/dbraw/zinc/55/22/65/388552265.db2.gz OPZHMDCRSQXPLV-UHFFFAOYSA-N 1 2 237.303 1.335 20 0 BDADLO CCOCC[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528622630 388552269 /nfs/dbraw/zinc/55/22/69/388552269.db2.gz OPZHMDCRSQXPLV-UHFFFAOYSA-N 1 2 237.303 1.335 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000517638901 388556625 /nfs/dbraw/zinc/55/66/25/388556625.db2.gz VHYMIPJNWXJUCT-NSHDSACASA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnnn1C(C)(C)C ZINC000548753147 388557430 /nfs/dbraw/zinc/55/74/30/388557430.db2.gz SGFJQBVGNABMOA-RKDXNWHRSA-N 1 2 223.324 1.411 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nnn(C)n2)c(C)c1 ZINC000362956731 388561433 /nfs/dbraw/zinc/56/14/33/388561433.db2.gz CKUXGJZUAPGYIL-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC(C2CCC2)C1 ZINC000548777394 388562084 /nfs/dbraw/zinc/56/20/84/388562084.db2.gz OUHBOBDOYUVSRU-UHFFFAOYSA-N 1 2 248.330 1.362 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000528730286 388563454 /nfs/dbraw/zinc/56/34/54/388563454.db2.gz FVXKQYIVRCBVIJ-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000528730286 388563456 /nfs/dbraw/zinc/56/34/56/388563456.db2.gz FVXKQYIVRCBVIJ-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)no1 ZINC000528759153 388567803 /nfs/dbraw/zinc/56/78/03/388567803.db2.gz XMSRFXVKQXPQSK-GLLZPBPUSA-N 1 2 225.292 1.280 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)no1 ZINC000528759154 388568512 /nfs/dbraw/zinc/56/85/12/388568512.db2.gz XMSRFXVKQXPQSK-LEQIOUOKSA-N 1 2 225.292 1.280 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cn[nH]c1 ZINC000615652750 388581564 /nfs/dbraw/zinc/58/15/64/388581564.db2.gz AYWCVMKYOZJWFF-TUAOUCFPSA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cn[nH]c1 ZINC000615652750 388581566 /nfs/dbraw/zinc/58/15/66/388581566.db2.gz AYWCVMKYOZJWFF-TUAOUCFPSA-N 1 2 249.314 1.183 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1cncs1 ZINC000552134656 388671415 /nfs/dbraw/zinc/67/14/15/388671415.db2.gz HIABDJHAWPBNDS-JTQLQIEISA-N 1 2 225.361 1.669 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1cncs1 ZINC000552134656 388671416 /nfs/dbraw/zinc/67/14/16/388671416.db2.gz HIABDJHAWPBNDS-JTQLQIEISA-N 1 2 225.361 1.669 20 0 BDADLO COCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000522006972 388673607 /nfs/dbraw/zinc/67/36/07/388673607.db2.gz YLFZOQCJEQSNAE-MNOVXSKESA-N 1 2 239.319 1.375 20 0 BDADLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000522006091 388673740 /nfs/dbraw/zinc/67/37/40/388673740.db2.gz LGFUIHSBEKMMJR-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO CC[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000125687388 388674528 /nfs/dbraw/zinc/67/45/28/388674528.db2.gz WEEZHNAUTNYFBT-SNVBAGLBSA-N 1 2 246.314 1.255 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000125687388 388674531 /nfs/dbraw/zinc/67/45/31/388674531.db2.gz WEEZHNAUTNYFBT-SNVBAGLBSA-N 1 2 246.314 1.255 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2nncn2C)ccn1 ZINC000551267867 388624828 /nfs/dbraw/zinc/62/48/28/388624828.db2.gz WAVKCOQKJVYLBP-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCSC(C)(C)C1 ZINC000189530521 388635905 /nfs/dbraw/zinc/63/59/05/388635905.db2.gz NEGHFWOPLBZCIG-MRVPVSSYSA-N 1 2 241.364 1.099 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCSC(C)(C)C1 ZINC000189530521 388635908 /nfs/dbraw/zinc/63/59/08/388635908.db2.gz NEGHFWOPLBZCIG-MRVPVSSYSA-N 1 2 241.364 1.099 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC000083400055 388639356 /nfs/dbraw/zinc/63/93/56/388639356.db2.gz CXDYVPBYPULWKS-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCOC1(C)C ZINC000328364883 388641889 /nfs/dbraw/zinc/64/18/89/388641889.db2.gz GNALQOHKGXOHHP-WDEREUQCSA-N 1 2 243.347 1.731 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OCC ZINC000328408869 388642956 /nfs/dbraw/zinc/64/29/56/388642956.db2.gz UPLQFJRBLMAYHW-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO CCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000620409557 388646775 /nfs/dbraw/zinc/64/67/75/388646775.db2.gz XEBLVXXLCGYYHH-LLVKDONJSA-N 1 2 223.320 1.968 20 0 BDADLO FCCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000551981283 388651417 /nfs/dbraw/zinc/65/14/17/388651417.db2.gz LEDJPWLWXFRCMM-SECBINFHSA-N 1 2 213.256 1.956 20 0 BDADLO FCCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000551981283 388651418 /nfs/dbraw/zinc/65/14/18/388651418.db2.gz LEDJPWLWXFRCMM-SECBINFHSA-N 1 2 213.256 1.956 20 0 BDADLO C[C@H]1C[C@H](C)N1c1[nH+]cnc2c1cnn2C ZINC000530378754 388652986 /nfs/dbraw/zinc/65/29/86/388652986.db2.gz PVSPTJMCHMUJIT-YUMQZZPRSA-N 1 2 217.276 1.350 20 0 BDADLO CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000270608390 388655424 /nfs/dbraw/zinc/65/54/24/388655424.db2.gz XNORQDABGZYZCI-JOYOIKCWSA-N 1 2 231.299 1.770 20 0 BDADLO CCOCC[N@H+]([C@H](C)C(=O)OCC)C1CC1 ZINC000190815319 388657135 /nfs/dbraw/zinc/65/71/35/388657135.db2.gz PZUVGYQPTMDJEJ-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCOCC[N@@H+]([C@H](C)C(=O)OCC)C1CC1 ZINC000190815319 388657138 /nfs/dbraw/zinc/65/71/38/388657138.db2.gz PZUVGYQPTMDJEJ-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCS[C@H](CC)C1 ZINC000247182054 388659963 /nfs/dbraw/zinc/65/99/63/388659963.db2.gz BJRSLLMPVDPGJA-NXEZZACHSA-N 1 2 231.361 1.765 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCS[C@H](CC)C1 ZINC000247182054 388659964 /nfs/dbraw/zinc/65/99/64/388659964.db2.gz BJRSLLMPVDPGJA-NXEZZACHSA-N 1 2 231.361 1.765 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1n[nH]cc1C1CC1 ZINC000648976052 388660240 /nfs/dbraw/zinc/66/02/40/388660240.db2.gz AWGWZMYNVIRPEY-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247221318 388661032 /nfs/dbraw/zinc/66/10/32/388661032.db2.gz CURQIRIMDDXHCM-WOPDTQHZSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247221318 388661036 /nfs/dbraw/zinc/66/10/36/388661036.db2.gz CURQIRIMDDXHCM-WOPDTQHZSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)OC)C[C@@H](C)O1 ZINC000247372981 388663058 /nfs/dbraw/zinc/66/30/58/388663058.db2.gz FICZWOHJPZUVRR-OPRDCNLKSA-N 1 2 215.293 1.047 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)OC)C[C@@H](C)O1 ZINC000247372981 388663062 /nfs/dbraw/zinc/66/30/62/388663062.db2.gz FICZWOHJPZUVRR-OPRDCNLKSA-N 1 2 215.293 1.047 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1cscn1 ZINC000063590978 388663663 /nfs/dbraw/zinc/66/36/63/388663663.db2.gz CXWYBQSQLNNSJQ-UHFFFAOYSA-N 1 2 214.334 2.000 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1cscn1 ZINC000063590978 388663666 /nfs/dbraw/zinc/66/36/66/388663666.db2.gz CXWYBQSQLNNSJQ-UHFFFAOYSA-N 1 2 214.334 2.000 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000552875672 388739833 /nfs/dbraw/zinc/73/98/33/388739833.db2.gz AZBBCMXAIAGDEL-WDEREUQCSA-N 1 2 221.304 1.673 20 0 BDADLO CS[C@@H](CO)[C@H](C)Nc1cccc[nH+]1 ZINC000227058664 388740194 /nfs/dbraw/zinc/74/01/94/388740194.db2.gz SDHUBWAPEHSQOZ-IUCAKERBSA-N 1 2 212.318 1.606 20 0 BDADLO CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCC1 ZINC000522266070 388741447 /nfs/dbraw/zinc/74/14/47/388741447.db2.gz QINNSNSHNQNCDG-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO C[C@@H](CC(=O)N1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC000572532988 388742235 /nfs/dbraw/zinc/74/22/35/388742235.db2.gz NAHSTAQAQOMNHN-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1oncc1CSCC[NH+]1CCOCC1 ZINC000126191230 388691069 /nfs/dbraw/zinc/69/10/69/388691069.db2.gz SJXRNXGVLILACU-UHFFFAOYSA-N 1 2 242.344 1.548 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427223 388692629 /nfs/dbraw/zinc/69/26/29/388692629.db2.gz BDOYRVDINGLRTC-SNVBAGLBSA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427223 388692631 /nfs/dbraw/zinc/69/26/31/388692631.db2.gz BDOYRVDINGLRTC-SNVBAGLBSA-N 1 2 228.336 1.010 20 0 BDADLO CCC[C@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000195216691 388701666 /nfs/dbraw/zinc/70/16/66/388701666.db2.gz ZVOFLCIAAKDNNZ-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO CCCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000249016373 388704795 /nfs/dbraw/zinc/70/47/95/388704795.db2.gz JIKAWYRFLXAEOF-GUBZILKMSA-N 1 2 217.309 1.077 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(C)C ZINC000251865992 388756237 /nfs/dbraw/zinc/75/62/37/388756237.db2.gz QELTYNLTAFPXSX-GARJFASQSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000249390451 388719281 /nfs/dbraw/zinc/71/92/81/388719281.db2.gz RHLFTDLPVXFVHI-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000249390451 388719283 /nfs/dbraw/zinc/71/92/83/388719283.db2.gz RHLFTDLPVXFVHI-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccs2)[C@@H](C(N)=O)C1 ZINC000249535937 388726897 /nfs/dbraw/zinc/72/68/97/388726897.db2.gz CLJWJVYZFIAIEL-DTWKUNHWSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccs2)[C@@H](C(N)=O)C1 ZINC000249535937 388726899 /nfs/dbraw/zinc/72/68/99/388726899.db2.gz CLJWJVYZFIAIEL-DTWKUNHWSA-N 1 2 239.344 1.229 20 0 BDADLO CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522234635 388728696 /nfs/dbraw/zinc/72/86/96/388728696.db2.gz YLNRLAUEUIHMLV-VIFPVBQESA-N 1 2 245.286 1.191 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2csnn2)[C@@H]1C ZINC000127805711 388731965 /nfs/dbraw/zinc/73/19/65/388731965.db2.gz JXTADRQZYGZEGB-HTQZYQBOSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2csnn2)[C@@H]1C ZINC000127805711 388731967 /nfs/dbraw/zinc/73/19/67/388731967.db2.gz JXTADRQZYGZEGB-HTQZYQBOSA-N 1 2 229.374 1.864 20 0 BDADLO CC[C@@H](C)N(CCO)c1cc[nH+]c(C)n1 ZINC000288552648 388796087 /nfs/dbraw/zinc/79/60/87/388796087.db2.gz PPJNCIGWGCCJOX-SECBINFHSA-N 1 2 209.293 1.382 20 0 BDADLO c1cc(CNc2cc(NCC3CC3)[nH+]cn2)n[nH]1 ZINC000540284415 388801536 /nfs/dbraw/zinc/80/15/36/388801536.db2.gz BMODOGCYMBRSDC-UHFFFAOYSA-N 1 2 244.302 1.056 20 0 BDADLO c1cc(CNc2cc(NCC3CC3)nc[nH+]2)n[nH]1 ZINC000540284415 388801542 /nfs/dbraw/zinc/80/15/42/388801542.db2.gz BMODOGCYMBRSDC-UHFFFAOYSA-N 1 2 244.302 1.056 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC(C)(C)C ZINC000554380637 388813825 /nfs/dbraw/zinc/81/38/25/388813825.db2.gz GVXSCZVLZPMRCZ-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC1)C1CC1 ZINC000554269178 388807197 /nfs/dbraw/zinc/80/71/97/388807197.db2.gz ZGPDQODDDKXQLH-SNVBAGLBSA-N 1 2 234.303 1.287 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCOCC2(CC2)C1 ZINC000564220047 388765373 /nfs/dbraw/zinc/76/53/73/388765373.db2.gz GCPQTAIJMZDZQK-SNVBAGLBSA-N 1 2 248.330 1.063 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CCOCC2(CC2)C1 ZINC000564220047 388765376 /nfs/dbraw/zinc/76/53/76/388765376.db2.gz GCPQTAIJMZDZQK-SNVBAGLBSA-N 1 2 248.330 1.063 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@@H]1CCC[C@@H]1O ZINC000128532964 388769853 /nfs/dbraw/zinc/76/98/53/388769853.db2.gz IXSWILZQAQADLX-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@@H]1CCC[C@@H]1O ZINC000128532964 388769855 /nfs/dbraw/zinc/76/98/55/388769855.db2.gz IXSWILZQAQADLX-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)C(C)(C)C ZINC000554494006 388817315 /nfs/dbraw/zinc/81/73/15/388817315.db2.gz OAFGXNGOFMEYIL-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO COC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000648756740 388836773 /nfs/dbraw/zinc/83/67/73/388836773.db2.gz KSENFALXTALVGY-UHFFFAOYSA-N 1 2 249.314 1.295 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000556210791 388870541 /nfs/dbraw/zinc/87/05/41/388870541.db2.gz RDNFDXYSYAMASE-DGCLKSJQSA-N 1 2 249.358 1.761 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000564757889 388887223 /nfs/dbraw/zinc/88/72/23/388887223.db2.gz YDPFBRYYPRHVMS-AXFHLTTASA-N 1 2 233.315 1.455 20 0 BDADLO C[C@@H](C(=O)Nc1cncc(F)c1)[NH+]1CC(C)C1 ZINC000565202533 388923863 /nfs/dbraw/zinc/92/38/63/388923863.db2.gz BOCNPRCUBAIFAC-VIFPVBQESA-N 1 2 237.278 1.499 20 0 BDADLO CCc1nc(N2CCOC[C@H]2C)cc(C)[nH+]1 ZINC000283693622 132213082 /nfs/dbraw/zinc/21/30/82/132213082.db2.gz ZBXOGGNUTGQUMQ-SNVBAGLBSA-N 1 2 221.304 1.573 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC1(C)CC1 ZINC000565230863 388929253 /nfs/dbraw/zinc/92/92/53/388929253.db2.gz WTHFICDEYGBBIK-UHFFFAOYSA-N 1 2 222.292 1.091 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC1(C)CC1 ZINC000565230863 388929256 /nfs/dbraw/zinc/92/92/56/388929256.db2.gz WTHFICDEYGBBIK-UHFFFAOYSA-N 1 2 222.292 1.091 20 0 BDADLO CC[C@](C)(CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565307319 388937129 /nfs/dbraw/zinc/93/71/29/388937129.db2.gz IVTLJGWDINNWAN-ZYHUDNBSSA-N 1 2 239.319 1.111 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2ncccn2)cn1 ZINC000565244297 388932702 /nfs/dbraw/zinc/93/27/02/388932702.db2.gz HTBMMXVJOSBEPL-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1Cc2ccccc2C1 ZINC000565264466 388933767 /nfs/dbraw/zinc/93/37/67/388933767.db2.gz FYNUXVHDCPLQNK-UHFFFAOYSA-N 1 2 241.294 1.505 20 0 BDADLO Cn1cc(Cl)c(C[NH2+]CC2(F)CC2)n1 ZINC000565285738 388934618 /nfs/dbraw/zinc/93/46/18/388934618.db2.gz HTOJNTBYMHGDAR-UHFFFAOYSA-N 1 2 217.675 1.665 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C(C)(C)C ZINC000565374577 388940428 /nfs/dbraw/zinc/94/04/28/388940428.db2.gz OHGNREKXKWNOFR-SECBINFHSA-N 1 2 223.320 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)C(C)(C)C ZINC000565374577 388940430 /nfs/dbraw/zinc/94/04/30/388940430.db2.gz OHGNREKXKWNOFR-SECBINFHSA-N 1 2 223.320 1.811 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](O)C1 ZINC000565548158 388952496 /nfs/dbraw/zinc/95/24/96/388952496.db2.gz IHQSADXQGYLLCP-JTQLQIEISA-N 1 2 207.277 1.055 20 0 BDADLO COCC1(CCNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000565896000 388978218 /nfs/dbraw/zinc/97/82/18/388978218.db2.gz ZRFKGTILMWGEHH-UHFFFAOYSA-N 1 2 237.303 1.265 20 0 BDADLO Cc1cnc(C[NH2+]C(C)(C)c2cnn(C)c2)o1 ZINC000565919872 388979661 /nfs/dbraw/zinc/97/96/61/388979661.db2.gz OSUOREJEMKGGDW-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO CCCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000566097010 388986838 /nfs/dbraw/zinc/98/68/38/388986838.db2.gz CEGTXNFFEKCRMX-MRVPVSSYSA-N 1 2 213.306 1.011 20 0 BDADLO C[C@@H](O)C[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000265818111 388993733 /nfs/dbraw/zinc/99/37/33/388993733.db2.gz HGOASSSAVYSEPW-RKDXNWHRSA-N 1 2 249.318 1.182 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCc1ccccn1 ZINC000267265683 389000023 /nfs/dbraw/zinc/00/00/23/389000023.db2.gz UPHWMFNUHPLWDV-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000488125064 533339267 /nfs/dbraw/zinc/33/92/67/533339267.db2.gz DKTQEDOXWHJGNY-GHMZBOCLSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)no1 ZINC000492890928 533641826 /nfs/dbraw/zinc/64/18/26/533641826.db2.gz CIHQVUSICAXYDD-IHWYPQMZSA-N 1 2 232.243 1.036 20 0 BDADLO O[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000258740938 132177506 /nfs/dbraw/zinc/17/75/06/132177506.db2.gz NUCNYIXVYMSPNR-LLVKDONJSA-N 1 2 248.330 1.038 20 0 BDADLO O[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000258740938 132177508 /nfs/dbraw/zinc/17/75/08/132177508.db2.gz NUCNYIXVYMSPNR-LLVKDONJSA-N 1 2 248.330 1.038 20 0 BDADLO O[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000265438130 132182036 /nfs/dbraw/zinc/18/20/36/132182036.db2.gz PBXRJNSTUVEJGP-NSHDSACASA-N 1 2 248.330 1.260 20 0 BDADLO O[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000265438130 132182040 /nfs/dbraw/zinc/18/20/40/132182040.db2.gz PBXRJNSTUVEJGP-NSHDSACASA-N 1 2 248.330 1.260 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)CCO1 ZINC000267196039 132189059 /nfs/dbraw/zinc/18/90/59/132189059.db2.gz IFHHGOGQGWDSGC-JTQLQIEISA-N 1 2 229.283 1.855 20 0 BDADLO O[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000267256337 132189076 /nfs/dbraw/zinc/18/90/76/132189076.db2.gz VRZWUPIYRQYREG-JTQLQIEISA-N 1 2 229.283 1.591 20 0 BDADLO Cc1nc(N2CCO[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000268053672 132191230 /nfs/dbraw/zinc/19/12/30/132191230.db2.gz UXKICDNWTRDLNZ-WDEREUQCSA-N 1 2 219.288 1.543 20 0 BDADLO COC[C@H]1CN(c2cccc[nH+]2)C[C@@H](C)O1 ZINC000276121969 132206503 /nfs/dbraw/zinc/20/65/03/132206503.db2.gz YXSDMXHNZQAUIZ-GHMZBOCLSA-N 1 2 222.288 1.322 20 0 BDADLO CC1=CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000278479267 132207630 /nfs/dbraw/zinc/20/76/30/132207630.db2.gz VHZTUPLVOKRFOK-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@H](O)Cc2ccccc21 ZINC000278944340 132208995 /nfs/dbraw/zinc/20/89/95/132208995.db2.gz UWWSBMMFMYVILO-CYBMUJFWSA-N 1 2 243.310 1.344 20 0 BDADLO CCc1nc(N2CCOC[C@H]2C2CC2)cc(C)[nH+]1 ZINC000283910601 132213403 /nfs/dbraw/zinc/21/34/03/132213403.db2.gz WPNYRHHJIZWAGO-LBPRGKRZSA-N 1 2 247.342 1.963 20 0 BDADLO CCc1nc(N2CC(=O)N(C)[C@H](C)C2)cc(C)[nH+]1 ZINC000286407828 132214732 /nfs/dbraw/zinc/21/47/32/132214732.db2.gz KFDDHWJNTQSVNR-SNVBAGLBSA-N 1 2 248.330 1.014 20 0 BDADLO CN(C)C(=O)O[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000296424287 132221345 /nfs/dbraw/zinc/22/13/45/132221345.db2.gz XSYVTEHWVJKCGI-LLVKDONJSA-N 1 2 249.314 1.749 20 0 BDADLO C[C@]1(CO)CCCN(c2cccc[nH+]2)C1 ZINC000132796167 132237079 /nfs/dbraw/zinc/23/70/79/132237079.db2.gz IFMFGUNHKFIXEY-LBPRGKRZSA-N 1 2 206.289 1.680 20 0 BDADLO NC(=O)CC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301167808 132251715 /nfs/dbraw/zinc/25/17/15/132251715.db2.gz VONXGXTZQIBFKO-LLVKDONJSA-N 1 2 233.315 1.564 20 0 BDADLO COC[C@H]1CN(c2cc(C)[nH+]cn2)C[C@@H](C)O1 ZINC000302579956 132264547 /nfs/dbraw/zinc/26/45/47/132264547.db2.gz SSHANAWCYJYHHQ-GHMZBOCLSA-N 1 2 237.303 1.025 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000357325266 132273482 /nfs/dbraw/zinc/27/34/82/132273482.db2.gz MPBKFBVNAJHXGF-GHMZBOCLSA-N 1 2 248.330 1.381 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000357325266 132273483 /nfs/dbraw/zinc/27/34/83/132273483.db2.gz MPBKFBVNAJHXGF-GHMZBOCLSA-N 1 2 248.330 1.381 20 0 BDADLO O=C1C[N@H+](CCCF)CCN1c1ccccc1 ZINC000360635777 132278733 /nfs/dbraw/zinc/27/87/33/132278733.db2.gz RYEAPAFLPFZZFD-UHFFFAOYSA-N 1 2 236.290 1.695 20 0 BDADLO O=C1C[N@@H+](CCCF)CCN1c1ccccc1 ZINC000360635777 132278734 /nfs/dbraw/zinc/27/87/34/132278734.db2.gz RYEAPAFLPFZZFD-UHFFFAOYSA-N 1 2 236.290 1.695 20 0 BDADLO COCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360597777 132278768 /nfs/dbraw/zinc/27/87/68/132278768.db2.gz QFDDTEOFAOQMHE-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO COCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360597777 132278770 /nfs/dbraw/zinc/27/87/70/132278770.db2.gz QFDDTEOFAOQMHE-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@H](C)[C@@H]2C)[nH+]1 ZINC000360870899 132279450 /nfs/dbraw/zinc/27/94/50/132279450.db2.gz KDRNACAGZYGGME-DTWKUNHWSA-N 1 2 246.314 1.880 20 0 BDADLO CON(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363028933 132282156 /nfs/dbraw/zinc/28/21/56/132282156.db2.gz ZIMDIFBUAFYADO-NSHDSACASA-N 1 2 249.314 1.318 20 0 BDADLO CC[C@@H]1CN(c2cccc[nH+]2)C[C@]2(CCOC2)O1 ZINC000373650041 132286436 /nfs/dbraw/zinc/28/64/36/132286436.db2.gz XBQQAYNRWMRDOL-OCCSQVGLSA-N 1 2 248.326 1.856 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@]2(CCCOC2)O1 ZINC000373634276 132286500 /nfs/dbraw/zinc/28/65/00/132286500.db2.gz DSRHZFRQRFIADF-OCCSQVGLSA-N 1 2 248.326 1.856 20 0 BDADLO Cc1nc(N2CCC[C@H]3COC[C@H]32)cc[nH+]1 ZINC000374425218 132287438 /nfs/dbraw/zinc/28/74/38/132287438.db2.gz UPLSBTLSZFEKEN-WDEREUQCSA-N 1 2 219.288 1.400 20 0 BDADLO C[C@@H](O)C1CCN(c2cccc[nH+]2)CC1 ZINC000225738818 132291396 /nfs/dbraw/zinc/29/13/96/132291396.db2.gz IFVGQVYTHOUMID-SNVBAGLBSA-N 1 2 206.289 1.679 20 0 BDADLO C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CCS1 ZINC000235342893 132292402 /nfs/dbraw/zinc/29/24/02/132292402.db2.gz DNWCMQPFIKZRTH-ZCFIWIBFSA-N 1 2 244.751 1.654 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CCS1 ZINC000235342893 132292404 /nfs/dbraw/zinc/29/24/04/132292404.db2.gz DNWCMQPFIKZRTH-ZCFIWIBFSA-N 1 2 244.751 1.654 20 0 BDADLO Cc1onc(C2CC2)c1C(=O)N1CC[NH+](C)CC1 ZINC000335402382 133855893 /nfs/dbraw/zinc/85/58/93/133855893.db2.gz ZWLHGEJLNROIMY-UHFFFAOYSA-N 1 2 249.314 1.248 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000351506011 133972420 /nfs/dbraw/zinc/97/24/20/133972420.db2.gz QWDWHEHKQGDZCN-TVQRCGJNSA-N 1 2 229.283 1.447 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CC[S@]1=O ZINC000351924471 134006767 /nfs/dbraw/zinc/00/67/67/134006767.db2.gz GFWHYHMZJDCHBG-JTNHKYCSSA-N 1 2 213.346 1.548 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[S@]1=O ZINC000351924471 134006768 /nfs/dbraw/zinc/00/67/68/134006768.db2.gz GFWHYHMZJDCHBG-JTNHKYCSSA-N 1 2 213.346 1.548 20 0 BDADLO O=C(c1cc(F)c[nH]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335936968 134012726 /nfs/dbraw/zinc/01/27/26/134012726.db2.gz GTMCYDTZGSPZMK-SNVBAGLBSA-N 1 2 248.261 1.854 20 0 BDADLO Cc1oc(C2CC2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000335938277 134013373 /nfs/dbraw/zinc/01/33/73/134013373.db2.gz BVQTWPIFLSGWGC-UHFFFAOYSA-N 1 2 249.314 1.248 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)cn1 ZINC000351979092 134025449 /nfs/dbraw/zinc/02/54/49/134025449.db2.gz HXAZWWUUKODEKC-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)cn1 ZINC000351979092 134025450 /nfs/dbraw/zinc/02/54/50/134025450.db2.gz HXAZWWUUKODEKC-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCS2)c[nH+]1 ZINC000335967425 134028424 /nfs/dbraw/zinc/02/84/24/134028424.db2.gz YRKNBJQEZMXGPR-QMMMGPOBSA-N 1 2 225.317 1.344 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009615 134050301 /nfs/dbraw/zinc/05/03/01/134050301.db2.gz YNTZAFSYBKFNLN-ONGXEEELSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009615 134050302 /nfs/dbraw/zinc/05/03/02/134050302.db2.gz YNTZAFSYBKFNLN-ONGXEEELSA-N 1 2 238.331 1.927 20 0 BDADLO c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n[nH]1 ZINC000336018981 134053600 /nfs/dbraw/zinc/05/36/00/134053600.db2.gz JVXOJNAVEHMZRU-CHWSQXEVSA-N 1 2 247.342 1.943 20 0 BDADLO c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n[nH]1 ZINC000336018981 134053601 /nfs/dbraw/zinc/05/36/01/134053601.db2.gz JVXOJNAVEHMZRU-CHWSQXEVSA-N 1 2 247.342 1.943 20 0 BDADLO c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n[nH]1 ZINC000336018984 134053797 /nfs/dbraw/zinc/05/37/97/134053797.db2.gz JVXOJNAVEHMZRU-STQMWFEESA-N 1 2 247.342 1.943 20 0 BDADLO c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n[nH]1 ZINC000336018984 134053798 /nfs/dbraw/zinc/05/37/98/134053798.db2.gz JVXOJNAVEHMZRU-STQMWFEESA-N 1 2 247.342 1.943 20 0 BDADLO CSC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000336019484 134054255 /nfs/dbraw/zinc/05/42/55/134054255.db2.gz SEYNEWPPAFSIQS-UHFFFAOYSA-N 1 2 237.328 1.121 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000336022336 134055903 /nfs/dbraw/zinc/05/59/03/134055903.db2.gz VKGWEQRWALJYOO-SSDOTTSWSA-N 1 2 247.220 1.424 20 0 BDADLO COCC1(C(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000336022603 134056197 /nfs/dbraw/zinc/05/61/97/134056197.db2.gz WDAGBOBJLZLNBR-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000336024888 134056788 /nfs/dbraw/zinc/05/67/88/134056788.db2.gz BWYGYGAUQDTRJN-QMMMGPOBSA-N 1 2 247.323 1.759 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000336024888 134056789 /nfs/dbraw/zinc/05/67/89/134056789.db2.gz BWYGYGAUQDTRJN-QMMMGPOBSA-N 1 2 247.323 1.759 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2[nH+]ccn2C)[nH]1 ZINC000336054055 134065394 /nfs/dbraw/zinc/06/53/94/134065394.db2.gz JBPJUVCKEPFAHG-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000336055043 134066073 /nfs/dbraw/zinc/06/60/73/134066073.db2.gz YVIPNOBHYKGPIQ-GHMZBOCLSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000336055043 134066074 /nfs/dbraw/zinc/06/60/74/134066074.db2.gz YVIPNOBHYKGPIQ-GHMZBOCLSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H](CO)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000336133599 134095019 /nfs/dbraw/zinc/09/50/19/134095019.db2.gz YPXMWZRXZGZFHD-MRVPVSSYSA-N 1 2 237.278 1.529 20 0 BDADLO CCn1ccnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000352201020 134100601 /nfs/dbraw/zinc/10/06/01/134100601.db2.gz DARPYNVVOPGTSR-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000352201020 134100602 /nfs/dbraw/zinc/10/06/02/134100602.db2.gz DARPYNVVOPGTSR-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO Cc1cncc(C[N@@H+]2CCn3ccnc3C2)c1 ZINC000336171472 134114961 /nfs/dbraw/zinc/11/49/61/134114961.db2.gz JUHUMJVQKADKOU-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cncc(C[N@H+]2CCn3ccnc3C2)c1 ZINC000336171472 134114962 /nfs/dbraw/zinc/11/49/62/134114962.db2.gz JUHUMJVQKADKOU-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO CS[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000336202893 134131100 /nfs/dbraw/zinc/13/11/00/134131100.db2.gz PFBLQBYUGDOXCB-VIFPVBQESA-N 1 2 209.318 1.727 20 0 BDADLO O=C([C@H]1CC12CCCC2)N1CCn2cc[nH+]c2C1 ZINC000336211187 134134556 /nfs/dbraw/zinc/13/45/56/134134556.db2.gz SFCBFWPUCDIZNE-LLVKDONJSA-N 1 2 245.326 1.806 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000359580954 134195931 /nfs/dbraw/zinc/19/59/31/134195931.db2.gz MFSCKJXZQWQYFR-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000359580954 134195932 /nfs/dbraw/zinc/19/59/32/134195932.db2.gz MFSCKJXZQWQYFR-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000359579682 134196127 /nfs/dbraw/zinc/19/61/27/134196127.db2.gz FEISVWOARFBXLP-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CCC[C@H]1C[N@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000359579682 134196128 /nfs/dbraw/zinc/19/61/28/134196128.db2.gz FEISVWOARFBXLP-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO OCCOC1CCN(c2cccc[nH+]2)CC1 ZINC000168882264 134247495 /nfs/dbraw/zinc/24/74/95/134247495.db2.gz JQRIXQVUKDQJIZ-UHFFFAOYSA-N 1 2 222.288 1.059 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CCCO1 ZINC000170766888 134253441 /nfs/dbraw/zinc/25/34/41/134253441.db2.gz NNKAUKCDJQKAHN-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CCCO1 ZINC000170766888 134253442 /nfs/dbraw/zinc/25/34/42/134253442.db2.gz NNKAUKCDJQKAHN-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176451891 134291834 /nfs/dbraw/zinc/29/18/34/134291834.db2.gz RUXKHOAIWDRMAV-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176451891 134291835 /nfs/dbraw/zinc/29/18/35/134291835.db2.gz RUXKHOAIWDRMAV-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000220099125 134298794 /nfs/dbraw/zinc/29/87/94/134298794.db2.gz BBHISSWWCVAIAH-VHSXEESVSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(N2CC[C@](C)(O)C2)c(C)c(C)[nH+]1 ZINC000177834494 134303718 /nfs/dbraw/zinc/30/37/18/134303718.db2.gz VNNKDMOMAUXMAT-LBPRGKRZSA-N 1 2 221.304 1.363 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000177879860 134304353 /nfs/dbraw/zinc/30/43/53/134304353.db2.gz QMUNLBYZQAPDIJ-VHSXEESVSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000177879860 134304354 /nfs/dbraw/zinc/30/43/54/134304354.db2.gz QMUNLBYZQAPDIJ-VHSXEESVSA-N 1 2 246.314 1.253 20 0 BDADLO CC(C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178472426 134307138 /nfs/dbraw/zinc/30/71/38/134307138.db2.gz XLDLMAUXIROBTF-GFCCVEGCSA-N 1 2 249.358 1.998 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H](C)[NH2+]1 ZINC000179148559 134317606 /nfs/dbraw/zinc/31/76/06/134317606.db2.gz VHUDMGIYUPCENK-RKDXNWHRSA-N 1 2 248.330 1.110 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000179591832 134321867 /nfs/dbraw/zinc/32/18/67/134321867.db2.gz PUIWFVFIKTXYKP-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000179591832 134321868 /nfs/dbraw/zinc/32/18/68/134321868.db2.gz PUIWFVFIKTXYKP-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C(C)(C)O)cc[nH+]1 ZINC000181240144 134334764 /nfs/dbraw/zinc/33/47/64/134334764.db2.gz JQXVRTQHALMQOK-SNVBAGLBSA-N 1 2 221.304 1.525 20 0 BDADLO COC[C@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000223713821 134339090 /nfs/dbraw/zinc/33/90/90/134339090.db2.gz BIBTZCQFXREBIX-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCO[C@H](C)C1 ZINC000182001916 134341039 /nfs/dbraw/zinc/34/10/39/134341039.db2.gz IBYQGLMTYIPIPR-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCO[C@H](C)C1 ZINC000182001916 134341040 /nfs/dbraw/zinc/34/10/40/134341040.db2.gz IBYQGLMTYIPIPR-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO COCc1nc(C[N@H+](C)CC2CC2)no1 ZINC000182408081 134344804 /nfs/dbraw/zinc/34/48/04/134344804.db2.gz JZWJKWPZHPGHSC-UHFFFAOYSA-N 1 2 211.265 1.058 20 0 BDADLO COCc1nc(C[N@@H+](C)CC2CC2)no1 ZINC000182408081 134344805 /nfs/dbraw/zinc/34/48/05/134344805.db2.gz JZWJKWPZHPGHSC-UHFFFAOYSA-N 1 2 211.265 1.058 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000182522897 134345741 /nfs/dbraw/zinc/34/57/41/134345741.db2.gz JJPRCFNETVZPGP-UWVGGRQHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[NH+]2C[C@H]3CCC[C@@H]3C2)no1 ZINC000182550322 134345777 /nfs/dbraw/zinc/34/57/77/134345777.db2.gz PUSHBRBPLFHOGO-NXEZZACHSA-N 1 2 237.303 1.448 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000182546329 134345800 /nfs/dbraw/zinc/34/58/00/134345800.db2.gz BVONPQMFDZNONK-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000182546329 134345801 /nfs/dbraw/zinc/34/58/01/134345801.db2.gz BVONPQMFDZNONK-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOCC1CC1 ZINC000224529863 134348423 /nfs/dbraw/zinc/34/84/23/134348423.db2.gz NLDHROSLLKTHSE-UHFFFAOYSA-N 1 2 209.293 1.234 20 0 BDADLO CC[C@H](CSC)[NH2+][C@@H](CC)C(=O)OC ZINC000183869678 134356991 /nfs/dbraw/zinc/35/69/91/134356991.db2.gz RXGPIONDUBTKDN-BDAKNGLRSA-N 1 2 219.350 1.669 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)ccc1O ZINC000227026196 134373593 /nfs/dbraw/zinc/37/35/93/134373593.db2.gz NTSNWQLWVMSTHZ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC[C@H](C)C2)no1 ZINC000185261778 134375808 /nfs/dbraw/zinc/37/58/08/134375808.db2.gz RMYKJTNUIXJOAU-JTQLQIEISA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@H+]2CCCC[C@H](C)C2)no1 ZINC000185261778 134375809 /nfs/dbraw/zinc/37/58/09/134375809.db2.gz RMYKJTNUIXJOAU-JTQLQIEISA-N 1 2 239.319 1.838 20 0 BDADLO CC[C@@H](CSC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227771652 134394209 /nfs/dbraw/zinc/39/42/09/134394209.db2.gz RGQIYVALYVAEPG-VHSXEESVSA-N 1 2 231.361 1.669 20 0 BDADLO Cc1cc(NCC(C)(C)CCO)nc[nH+]1 ZINC000231158397 134539496 /nfs/dbraw/zinc/53/94/96/134539496.db2.gz ZYCZTHBTQYGCMR-UHFFFAOYSA-N 1 2 209.293 1.606 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccnn1C ZINC000235513704 134594027 /nfs/dbraw/zinc/59/40/27/134594027.db2.gz DZRNUHWZPNMEOP-VIFPVBQESA-N 1 2 219.292 1.004 20 0 BDADLO Cc1cncc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000135482173 134746427 /nfs/dbraw/zinc/74/64/27/134746427.db2.gz WBFMEFPFGGPWKO-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO O=C(c1cn[nH]c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000194703678 134828162 /nfs/dbraw/zinc/82/81/62/134828162.db2.gz CLRJWSFYKJERLU-JTQLQIEISA-N 1 2 245.286 1.500 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@@H]1O ZINC000167094825 134872912 /nfs/dbraw/zinc/87/29/12/134872912.db2.gz AODXCEAAVPBRFC-SKDRFNHKSA-N 1 2 231.299 1.770 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000070651483 135005215 /nfs/dbraw/zinc/00/52/15/135005215.db2.gz BDBKEIVVSMJUOI-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000248415673 135008104 /nfs/dbraw/zinc/00/81/04/135008104.db2.gz IBYQGLMTYIPIPR-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000248415673 135008106 /nfs/dbraw/zinc/00/81/06/135008106.db2.gz IBYQGLMTYIPIPR-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000076148883 135013481 /nfs/dbraw/zinc/01/34/81/135013481.db2.gz YHUFJJYFBMTHNH-BDAKNGLRSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000076148883 135013484 /nfs/dbraw/zinc/01/34/84/135013484.db2.gz YHUFJJYFBMTHNH-BDAKNGLRSA-N 1 2 209.293 1.998 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)[C@H](C)O ZINC000249073877 135032400 /nfs/dbraw/zinc/03/24/00/135032400.db2.gz LKMGFYFLGTZELK-NOOOWODRSA-N 1 2 243.347 1.325 20 0 BDADLO c1cn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250249985 135051911 /nfs/dbraw/zinc/05/19/11/135051911.db2.gz ORZJBZHPQSLSCB-STQMWFEESA-N 1 2 234.347 1.100 20 0 BDADLO c1cn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250249985 135051912 /nfs/dbraw/zinc/05/19/12/135051912.db2.gz ORZJBZHPQSLSCB-STQMWFEESA-N 1 2 234.347 1.100 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(N)s1 ZINC000086765798 135096698 /nfs/dbraw/zinc/09/66/98/135096698.db2.gz YJCNMWPKZMNWRN-SFYZADRCSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(N)s1 ZINC000086765798 135096700 /nfs/dbraw/zinc/09/67/00/135096700.db2.gz YJCNMWPKZMNWRN-SFYZADRCSA-N 1 2 227.333 1.335 20 0 BDADLO CN(c1cccc[nH+]1)[C@@H]1CCCC[C@H]1O ZINC000252919977 135116610 /nfs/dbraw/zinc/11/66/10/135116610.db2.gz FDMCHTAQBBXOTJ-GHMZBOCLSA-N 1 2 206.289 1.821 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccccc1 ZINC000255574206 135129916 /nfs/dbraw/zinc/12/99/16/135129916.db2.gz SDEGJAHEIROKKJ-DEBLGDTFSA-N 1 2 244.338 1.910 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccccc1 ZINC000255574206 135129918 /nfs/dbraw/zinc/12/99/18/135129918.db2.gz SDEGJAHEIROKKJ-DEBLGDTFSA-N 1 2 244.338 1.910 20 0 BDADLO Cc1[nH+]c2cc(NC(=O)[C@@H](C)O)ccc2n1C ZINC000258785875 135133728 /nfs/dbraw/zinc/13/37/28/135133728.db2.gz IUZVIMCFQYSJCX-SSDOTTSWSA-N 1 2 233.271 1.201 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000261334460 135150403 /nfs/dbraw/zinc/15/04/03/135150403.db2.gz YXGKNAIABGBKGQ-SCZZXKLOSA-N 1 2 203.257 1.372 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000261334460 135150404 /nfs/dbraw/zinc/15/04/04/135150404.db2.gz YXGKNAIABGBKGQ-SCZZXKLOSA-N 1 2 203.257 1.372 20 0 BDADLO C[C@@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000267029419 135150761 /nfs/dbraw/zinc/15/07/61/135150761.db2.gz AQMUNZWMGPPGIC-GFCCVEGCSA-N 1 2 219.288 1.315 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)CC(C)(C)O ZINC000078778649 135151147 /nfs/dbraw/zinc/15/11/47/135151147.db2.gz RKXBHNMSSLWHHX-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)CC(C)(C)O ZINC000078778649 135151149 /nfs/dbraw/zinc/15/11/49/135151149.db2.gz RKXBHNMSSLWHHX-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CSCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000267032063 135151373 /nfs/dbraw/zinc/15/13/73/135151373.db2.gz DXBFCZNCIVAKOZ-JTQLQIEISA-N 1 2 241.360 1.389 20 0 BDADLO CCC1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000261534533 135167796 /nfs/dbraw/zinc/16/77/96/135167796.db2.gz MLXZUKCUXQDMPO-UHFFFAOYSA-N 1 2 205.261 1.793 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)o1 ZINC000163792486 135187976 /nfs/dbraw/zinc/18/79/76/135187976.db2.gz QCUCWGXJZBAJIA-LBPRGKRZSA-N 1 2 239.315 1.560 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)o1 ZINC000163792486 135187977 /nfs/dbraw/zinc/18/79/77/135187977.db2.gz QCUCWGXJZBAJIA-LBPRGKRZSA-N 1 2 239.315 1.560 20 0 BDADLO CC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000084193910 135191411 /nfs/dbraw/zinc/19/14/11/135191411.db2.gz BDCJZOAMGYNYFZ-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000084193910 135191413 /nfs/dbraw/zinc/19/14/13/135191413.db2.gz BDCJZOAMGYNYFZ-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CC1(C)C[N@H+](Cc2cccnc2)C[C@H](CO)O1 ZINC000163858286 135208173 /nfs/dbraw/zinc/20/81/73/135208173.db2.gz WUHTYSMFVSHDOB-GFCCVEGCSA-N 1 2 236.315 1.053 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccnc2)C[C@H](CO)O1 ZINC000163858286 135208175 /nfs/dbraw/zinc/20/81/75/135208175.db2.gz WUHTYSMFVSHDOB-GFCCVEGCSA-N 1 2 236.315 1.053 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc2c1NCC2 ZINC000261809398 135254744 /nfs/dbraw/zinc/25/47/44/135254744.db2.gz HOCUCZUUMSLOGK-JTQLQIEISA-N 1 2 248.326 1.648 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc2c1NCC2 ZINC000261809398 135254746 /nfs/dbraw/zinc/25/47/46/135254746.db2.gz HOCUCZUUMSLOGK-JTQLQIEISA-N 1 2 248.326 1.648 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366773493 135268577 /nfs/dbraw/zinc/26/85/77/135268577.db2.gz OJPLRRANVXLWKN-PWSUYJOCSA-N 1 2 247.342 1.834 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000262352520 135294624 /nfs/dbraw/zinc/29/46/24/135294624.db2.gz GHRBUKROMYAKBV-GHMZBOCLSA-N 1 2 249.314 1.289 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000262352520 135294625 /nfs/dbraw/zinc/29/46/25/135294625.db2.gz GHRBUKROMYAKBV-GHMZBOCLSA-N 1 2 249.314 1.289 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262403160 135295488 /nfs/dbraw/zinc/29/54/88/135295488.db2.gz ZYWNRSKAWPHCPX-HRDYMLBCSA-N 1 2 232.274 1.288 20 0 BDADLO CC(C)[C@H]1C[N@@H+]([C@H](C)c2cnccn2)CCO1 ZINC000342637447 135299156 /nfs/dbraw/zinc/29/91/56/135299156.db2.gz SWUGFPPQWYUITC-DGCLKSJQSA-N 1 2 235.331 1.894 20 0 BDADLO CC(C)[C@H]1C[N@H+]([C@H](C)c2cnccn2)CCO1 ZINC000342637447 135299157 /nfs/dbraw/zinc/29/91/57/135299157.db2.gz SWUGFPPQWYUITC-DGCLKSJQSA-N 1 2 235.331 1.894 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@H]2CCCO2)n1C ZINC000342611426 135302848 /nfs/dbraw/zinc/30/28/48/135302848.db2.gz XVNCQXCFIFZWKC-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@H]2CCCO2)n1C ZINC000342611426 135302849 /nfs/dbraw/zinc/30/28/49/135302849.db2.gz XVNCQXCFIFZWKC-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342782155 135317573 /nfs/dbraw/zinc/31/75/73/135317573.db2.gz OCWDQMLPSBHCIS-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO OCCC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000342786964 135318617 /nfs/dbraw/zinc/31/86/17/135318617.db2.gz MWXQXCVSEKBROD-UHFFFAOYSA-N 1 2 219.288 1.173 20 0 BDADLO Cc1c[nH+]c(CN2CCC(C)(O)CC2)n1C ZINC000342784459 135318923 /nfs/dbraw/zinc/31/89/23/135318923.db2.gz QUBBNWLMYKGTEZ-UHFFFAOYSA-N 1 2 223.320 1.075 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H](C)[C@H]2C)n1C ZINC000342795001 135319581 /nfs/dbraw/zinc/31/95/81/135319581.db2.gz VIMVQUUAGNXSNX-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H](C)[C@@H]2C)n1C ZINC000342795003 135319824 /nfs/dbraw/zinc/31/98/24/135319824.db2.gz VIMVQUUAGNXSNX-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)OC(C)(C)C2)n1C ZINC000342797464 135321109 /nfs/dbraw/zinc/32/11/09/135321109.db2.gz GGLYKDHBKYKZDI-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262901610 135323084 /nfs/dbraw/zinc/32/30/84/135323084.db2.gz DQKZIRSPLYKYIU-UTLUCORTSA-N 1 2 246.301 1.679 20 0 BDADLO CC1(C)C(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1(C)C ZINC000262947624 135324802 /nfs/dbraw/zinc/32/48/02/135324802.db2.gz JIESJIIDYZTVRN-ZETCQYMHSA-N 1 2 246.301 1.534 20 0 BDADLO CC1(C)C(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1(C)C ZINC000262947617 135324999 /nfs/dbraw/zinc/32/49/99/135324999.db2.gz JIESJIIDYZTVRN-SSDOTTSWSA-N 1 2 246.301 1.534 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263006745 135326963 /nfs/dbraw/zinc/32/69/63/135326963.db2.gz PJFSMUCBIAUPIV-BBBLOLIVSA-N 1 2 246.301 1.488 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H]3CCCC[C@@H]32)n1C ZINC000342774480 135327131 /nfs/dbraw/zinc/32/71/31/135327131.db2.gz DHSUZLCJLVCYQZ-QWHCGFSZSA-N 1 2 249.358 1.872 20 0 BDADLO CC[N@@H+](Cc1ncc(C)n1C)C[C@H]1CCCO1 ZINC000342776387 135327884 /nfs/dbraw/zinc/32/78/84/135327884.db2.gz GVTFIBNTGNTSMU-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO CC[N@H+](Cc1ncc(C)n1C)C[C@H]1CCCO1 ZINC000342776387 135327885 /nfs/dbraw/zinc/32/78/85/135327885.db2.gz GVTFIBNTGNTSMU-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO CCN(Cc1[nH+]cc(C)n1C)C[C@H]1CCCO1 ZINC000342776387 135327886 /nfs/dbraw/zinc/32/78/86/135327886.db2.gz GVTFIBNTGNTSMU-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263042896 135328897 /nfs/dbraw/zinc/32/88/97/135328897.db2.gz SYNZZBWCWWPJHU-JTQLQIEISA-N 1 2 240.253 1.931 20 0 BDADLO O=C(NCc1ccsc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263101277 135332488 /nfs/dbraw/zinc/33/24/88/135332488.db2.gz ZKQWITAXOWWSMG-MRVPVSSYSA-N 1 2 246.282 1.362 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)c(C)n1 ZINC000334297513 135334949 /nfs/dbraw/zinc/33/49/49/135334949.db2.gz ANULKDUAYXCTEJ-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NCC2(C)C)c(C)n1 ZINC000334297513 135334950 /nfs/dbraw/zinc/33/49/50/135334950.db2.gz ANULKDUAYXCTEJ-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCSC2)cc[nH+]1 ZINC000334297866 135335198 /nfs/dbraw/zinc/33/51/98/135335198.db2.gz NILFSWVPZOOKJC-SECBINFHSA-N 1 2 222.313 1.504 20 0 BDADLO COCc1cnc(C[N@@H+]2CC[C@H](OC)C2)s1 ZINC000342931941 135336972 /nfs/dbraw/zinc/33/69/72/135336972.db2.gz LFHGTJACVHCZRT-VIFPVBQESA-N 1 2 242.344 1.510 20 0 BDADLO COCc1cnc(C[N@H+]2CC[C@H](OC)C2)s1 ZINC000342931941 135336974 /nfs/dbraw/zinc/33/69/74/135336974.db2.gz LFHGTJACVHCZRT-VIFPVBQESA-N 1 2 242.344 1.510 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN1CCC(F)(F)C1 ZINC000334280677 135338279 /nfs/dbraw/zinc/33/82/79/135338279.db2.gz WKSFQZDPDOSCIQ-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN1CCC(F)(F)C1 ZINC000334280677 135338280 /nfs/dbraw/zinc/33/82/80/135338280.db2.gz WKSFQZDPDOSCIQ-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000263224173 135341008 /nfs/dbraw/zinc/34/10/08/135341008.db2.gz MODCUOKAAIUACF-AEJSXWLSSA-N 1 2 244.285 1.242 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263279457 135344646 /nfs/dbraw/zinc/34/46/46/135344646.db2.gz UACOXXNABDCPFH-IWSPIJDZSA-N 1 2 232.274 1.098 20 0 BDADLO CCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334305500 135347985 /nfs/dbraw/zinc/34/79/85/135347985.db2.gz FJEKFSQJWRSAFT-SNVBAGLBSA-N 1 2 221.304 1.536 20 0 BDADLO O=C(NC1CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334305109 135348589 /nfs/dbraw/zinc/34/85/89/135348589.db2.gz GLIYSOVACIJGJR-MRVPVSSYSA-N 1 2 205.261 1.108 20 0 BDADLO O=C(NC1CC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334305109 135348591 /nfs/dbraw/zinc/34/85/91/135348591.db2.gz GLIYSOVACIJGJR-MRVPVSSYSA-N 1 2 205.261 1.108 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N1CCC(F)(F)C1 ZINC000334320661 135352403 /nfs/dbraw/zinc/35/24/03/135352403.db2.gz VYUMKIMJWRIHFJ-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000334359560 135371575 /nfs/dbraw/zinc/37/15/75/135371575.db2.gz WJWOKRWBAOCGLE-ONGXEEELSA-N 1 2 246.310 1.756 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(O)c1 ZINC000080526151 135379140 /nfs/dbraw/zinc/37/91/40/135379140.db2.gz QJLOIIJJOBXQRG-UHFFFAOYSA-N 1 2 231.255 1.388 20 0 BDADLO COc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000080589412 135383414 /nfs/dbraw/zinc/38/34/14/135383414.db2.gz BMCIBCDHFXDFQH-UHFFFAOYSA-N 1 2 246.270 1.740 20 0 BDADLO O=C1CC[C@H]2C[N@H+](CCC(F)(F)F)CCN12 ZINC000334398129 135389402 /nfs/dbraw/zinc/38/94/02/135389402.db2.gz DEBUIRSUHOQUNS-QMMMGPOBSA-N 1 2 236.237 1.245 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](CCC(F)(F)F)CCN12 ZINC000334398129 135389403 /nfs/dbraw/zinc/38/94/03/135389403.db2.gz DEBUIRSUHOQUNS-QMMMGPOBSA-N 1 2 236.237 1.245 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3F)CCN12 ZINC000334425590 135397027 /nfs/dbraw/zinc/39/70/27/135397027.db2.gz UVLXNUHQVNMPMP-GFCCVEGCSA-N 1 2 248.301 1.632 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3F)CCN12 ZINC000334425590 135397028 /nfs/dbraw/zinc/39/70/28/135397028.db2.gz UVLXNUHQVNMPMP-GFCCVEGCSA-N 1 2 248.301 1.632 20 0 BDADLO CS(=O)(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000334207132 135398555 /nfs/dbraw/zinc/39/85/55/135398555.db2.gz LBBZJXQGWIPPEJ-UHFFFAOYSA-N 1 2 239.340 1.686 20 0 BDADLO Cc1cc(NCCc2cn[nH]c2)nc[nH+]1 ZINC000309204589 135436164 /nfs/dbraw/zinc/43/61/64/135436164.db2.gz RVJUWEHCSTVGKX-UHFFFAOYSA-N 1 2 203.249 1.163 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@@H]1CCOC1 ZINC000335183557 135965742 /nfs/dbraw/zinc/96/57/42/135965742.db2.gz DBJFBKLTQLNFOC-GFCCVEGCSA-N 1 2 249.314 1.455 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)cn1 ZINC000347652338 136001477 /nfs/dbraw/zinc/00/14/77/136001477.db2.gz MDQAAMYVWJVVDA-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)cn1 ZINC000347652338 136001478 /nfs/dbraw/zinc/00/14/78/136001478.db2.gz MDQAAMYVWJVVDA-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347695122 136006503 /nfs/dbraw/zinc/00/65/03/136006503.db2.gz YKMUQMHGYUKINA-SNVBAGLBSA-N 1 2 231.246 1.235 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347695122 136006504 /nfs/dbraw/zinc/00/65/04/136006504.db2.gz YKMUQMHGYUKINA-SNVBAGLBSA-N 1 2 231.246 1.235 20 0 BDADLO Cc1cc(=NCc2c(C)[nH+]c3ccccn32)[nH]o1 ZINC000347819075 136013844 /nfs/dbraw/zinc/01/38/44/136013844.db2.gz UXOKWWDZJWVHSF-UHFFFAOYSA-N 1 2 242.282 1.973 20 0 BDADLO CN(C)c1ccccc1C[NH2+]Cc1cn(C)nn1 ZINC000347832406 136014361 /nfs/dbraw/zinc/01/43/61/136014361.db2.gz BLUDMBCDZXMBRI-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NC[C@@H]2C[C@@H]2C)[nH+]1 ZINC000347871063 136016978 /nfs/dbraw/zinc/01/69/78/136016978.db2.gz UQGZXYLZYPJCPI-UWVGGRQHSA-N 1 2 249.362 1.551 20 0 BDADLO CC(C)c1nc(NC[C@@H]2C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000347871063 136016979 /nfs/dbraw/zinc/01/69/79/136016979.db2.gz UQGZXYLZYPJCPI-UWVGGRQHSA-N 1 2 249.362 1.551 20 0 BDADLO CC[C@@H](NC(=O)Cc1cc(C)[nH]n1)c1[nH]cc[nH+]1 ZINC000347947885 136020269 /nfs/dbraw/zinc/02/02/69/136020269.db2.gz GOAPETCAVRAVGQ-SNVBAGLBSA-N 1 2 247.302 1.251 20 0 BDADLO CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1[nH]cc[nH+]1 ZINC000347947885 136020270 /nfs/dbraw/zinc/02/02/70/136020270.db2.gz GOAPETCAVRAVGQ-SNVBAGLBSA-N 1 2 247.302 1.251 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccco1 ZINC000347999643 136020367 /nfs/dbraw/zinc/02/03/67/136020367.db2.gz JHWWKGMXDJBDGF-SECBINFHSA-N 1 2 247.302 1.527 20 0 BDADLO CCC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000335311766 136030203 /nfs/dbraw/zinc/03/02/03/136030203.db2.gz GIAUMSCNPVPOKH-MRVPVSSYSA-N 1 2 211.265 1.365 20 0 BDADLO CCC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000335311766 136030204 /nfs/dbraw/zinc/03/02/04/136030204.db2.gz GIAUMSCNPVPOKH-MRVPVSSYSA-N 1 2 211.265 1.365 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1[C@H](C)C1(F)F ZINC000335319838 136034140 /nfs/dbraw/zinc/03/41/40/136034140.db2.gz BXGCXLBVGYPPCB-IONNQARKSA-N 1 2 226.226 1.652 20 0 BDADLO CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000348099328 136036398 /nfs/dbraw/zinc/03/63/98/136036398.db2.gz WOYOJDCLJQYXCG-MRVPVSSYSA-N 1 2 249.236 1.730 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC3(CCC3)C2)[nH]1 ZINC000348181229 136043570 /nfs/dbraw/zinc/04/35/70/136043570.db2.gz NGYZTUXXQCVKMT-UHFFFAOYSA-N 1 2 222.292 1.276 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC3(CCC3)C2)[nH]1 ZINC000348181229 136043571 /nfs/dbraw/zinc/04/35/71/136043571.db2.gz NGYZTUXXQCVKMT-UHFFFAOYSA-N 1 2 222.292 1.276 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000335326582 136051703 /nfs/dbraw/zinc/05/17/03/136051703.db2.gz COGMNKRMXWGUNZ-CYBMUJFWSA-N 1 2 242.338 1.823 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000335326582 136051704 /nfs/dbraw/zinc/05/17/04/136051704.db2.gz COGMNKRMXWGUNZ-CYBMUJFWSA-N 1 2 242.338 1.823 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(F)c1 ZINC000335331034 136053592 /nfs/dbraw/zinc/05/35/92/136053592.db2.gz QLPDDLXBHWGPHK-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(F)c1 ZINC000335331034 136053593 /nfs/dbraw/zinc/05/35/93/136053593.db2.gz QLPDDLXBHWGPHK-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000335333869 136055060 /nfs/dbraw/zinc/05/50/60/136055060.db2.gz MKADEIKFUNFNAG-SNVBAGLBSA-N 1 2 247.323 1.689 20 0 BDADLO COc1cc(CN(C)Cc2[nH+]ccn2C)ccn1 ZINC000348301816 136064275 /nfs/dbraw/zinc/06/42/75/136064275.db2.gz IZLUHBHYXFSYHJ-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1c[nH]cc1C ZINC000348304641 136064966 /nfs/dbraw/zinc/06/49/66/136064966.db2.gz OAVNNBZWFABBJX-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO CCN(C(=O)CCn1cc[nH+]c1)C1CCC1 ZINC000348312921 136067446 /nfs/dbraw/zinc/06/74/46/136067446.db2.gz DVICSDUXCPGJKP-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)s1 ZINC000335354317 136070277 /nfs/dbraw/zinc/07/02/77/136070277.db2.gz VJEGLILKAOYSEF-JTQLQIEISA-N 1 2 248.298 1.653 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@](O)(C(F)F)C2)s1 ZINC000335354317 136070278 /nfs/dbraw/zinc/07/02/78/136070278.db2.gz VJEGLILKAOYSEF-JTQLQIEISA-N 1 2 248.298 1.653 20 0 BDADLO Cc1[nH]ncc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335354834 136070938 /nfs/dbraw/zinc/07/09/38/136070938.db2.gz AFHOKXLYPHADHN-ZDUSSCGKSA-N 1 2 242.326 1.608 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CCC12CCC2 ZINC000348329510 136071183 /nfs/dbraw/zinc/07/11/83/136071183.db2.gz YEDFTLMKSZLPGO-UHFFFAOYSA-N 1 2 211.305 1.957 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CCC12CCC2 ZINC000348329510 136071184 /nfs/dbraw/zinc/07/11/84/136071184.db2.gz YEDFTLMKSZLPGO-UHFFFAOYSA-N 1 2 211.305 1.957 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccncc2)CC[S@]1=O ZINC000335371443 136083768 /nfs/dbraw/zinc/08/37/68/136083768.db2.gz CYMGZUHBJWYCPB-MEDUHNTESA-N 1 2 238.356 1.077 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccncc2)CC[S@]1=O ZINC000335371443 136083769 /nfs/dbraw/zinc/08/37/69/136083769.db2.gz CYMGZUHBJWYCPB-MEDUHNTESA-N 1 2 238.356 1.077 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1[C@H](C)C[C@H]1C ZINC000335379606 136087123 /nfs/dbraw/zinc/08/71/23/136087123.db2.gz RKUPKWOKJLVBGR-NXEZZACHSA-N 1 2 219.288 1.827 20 0 BDADLO Cc1cnc([C@@H](C)[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000335394017 136091675 /nfs/dbraw/zinc/09/16/75/136091675.db2.gz GFRHOGQUSZPGFS-MRVPVSSYSA-N 1 2 223.276 1.901 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000335394753 136092099 /nfs/dbraw/zinc/09/20/99/136092099.db2.gz ITBQIFGHMQPKQO-GXSJLCMTSA-N 1 2 235.287 1.111 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547973 136096950 /nfs/dbraw/zinc/09/69/50/136096950.db2.gz MIDJLDUQDJGPJQ-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335584346 136101257 /nfs/dbraw/zinc/10/12/57/136101257.db2.gz UFFAKPXBVQTKMB-IUCAKERBSA-N 1 2 236.344 1.372 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335584346 136101258 /nfs/dbraw/zinc/10/12/58/136101258.db2.gz UFFAKPXBVQTKMB-IUCAKERBSA-N 1 2 236.344 1.372 20 0 BDADLO C[C@@H]1C[C@@H](CO)CN(c2cccc[nH+]2)C1 ZINC000335569736 136108900 /nfs/dbraw/zinc/10/89/00/136108900.db2.gz SHTLSJLHIYZCGQ-GHMZBOCLSA-N 1 2 206.289 1.536 20 0 BDADLO CC[C@H]1C[C@@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001331890456 974851677 /nfs/dbraw/zinc/85/16/77/974851677.db2.gz OQLADSMKCBSRJF-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000380186994 397759596 /nfs/dbraw/zinc/75/95/96/397759596.db2.gz UQOPXSINNBCEBZ-RKDXNWHRSA-N 1 2 207.277 1.380 20 0 BDADLO CC[C@H](C)C[NH2+][C@@](C)(COC)C(=O)OC ZINC000182605566 397826317 /nfs/dbraw/zinc/82/63/17/397826317.db2.gz LLNPHRXDWFRFAZ-ONGXEEELSA-N 1 2 217.309 1.200 20 0 BDADLO CCOCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000118005195 397873588 /nfs/dbraw/zinc/87/35/88/397873588.db2.gz BPQKHHIMFMKDAJ-UHFFFAOYSA-N 1 2 229.320 1.488 20 0 BDADLO Cc1coc(SCCn2cc[nH+]c2)n1 ZINC000188327409 397882126 /nfs/dbraw/zinc/88/21/26/397882126.db2.gz QAFSFXZXRRDWEN-UHFFFAOYSA-N 1 2 209.274 1.972 20 0 BDADLO Cc1nnc(Nc2ccc(N(C)C)[nH+]c2)nc1C ZINC000356194185 397929865 /nfs/dbraw/zinc/92/98/65/397929865.db2.gz LJXALXJADHXXTF-UHFFFAOYSA-N 1 2 244.302 1.693 20 0 BDADLO Cc1occc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000414429811 397936064 /nfs/dbraw/zinc/93/60/64/397936064.db2.gz ILNPFWKTUOIKKK-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO Cc1occc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000414429811 397936068 /nfs/dbraw/zinc/93/60/68/397936068.db2.gz ILNPFWKTUOIKKK-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO COCc1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000382647369 397965915 /nfs/dbraw/zinc/96/59/15/397965915.db2.gz PFFFZZFOLFQJDW-UHFFFAOYSA-N 1 2 221.260 1.439 20 0 BDADLO COCc1ccc(CNCc2[nH]cc[nH+]2)o1 ZINC000382647369 397965917 /nfs/dbraw/zinc/96/59/17/397965917.db2.gz PFFFZZFOLFQJDW-UHFFFAOYSA-N 1 2 221.260 1.439 20 0 BDADLO C[C@@H]1[N@H+](Cc2cc3n(n2)CCC3)CCOC1(C)C ZINC000649551970 397945537 /nfs/dbraw/zinc/94/55/37/397945537.db2.gz SCDSAWXJJFSMAX-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO C[C@@H]1[N@@H+](Cc2cc3n(n2)CCC3)CCOC1(C)C ZINC000649551970 397945539 /nfs/dbraw/zinc/94/55/39/397945539.db2.gz SCDSAWXJJFSMAX-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO C[N@H+](CCC(C)(C)O)Cc1nccn1C(F)F ZINC000267440961 397948015 /nfs/dbraw/zinc/94/80/15/397948015.db2.gz PFWGJDXAEDJITL-UHFFFAOYSA-N 1 2 247.289 1.871 20 0 BDADLO C[N@@H+](CCC(C)(C)O)Cc1nccn1C(F)F ZINC000267440961 397948017 /nfs/dbraw/zinc/94/80/17/397948017.db2.gz PFWGJDXAEDJITL-UHFFFAOYSA-N 1 2 247.289 1.871 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC ZINC000336724606 397949300 /nfs/dbraw/zinc/94/93/00/397949300.db2.gz FZOPWUUKGTUMPB-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000336724609 397949414 /nfs/dbraw/zinc/94/94/14/397949414.db2.gz FZOPWUUKGTUMPB-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO CCCc1nsc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000382447846 397949570 /nfs/dbraw/zinc/94/95/70/397949570.db2.gz KPGRDJZHGSMHMM-DTWKUNHWSA-N 1 2 240.376 1.594 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC2(CCC2)C1 ZINC000268226273 397950775 /nfs/dbraw/zinc/95/07/75/397950775.db2.gz SJVQZSYRESUXDC-UHFFFAOYSA-N 1 2 243.314 1.744 20 0 BDADLO [NH3+][C@@H]1CCC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000382461475 397951177 /nfs/dbraw/zinc/95/11/77/397951177.db2.gz WLOJGRUEEMSCJM-RKDXNWHRSA-N 1 2 238.360 1.519 20 0 BDADLO CCOC1C[NH+](Cc2cccc(F)c2N)C1 ZINC000382749644 397897096 /nfs/dbraw/zinc/89/70/96/397897096.db2.gz DJGDFMNJCOCGFI-UHFFFAOYSA-N 1 2 224.279 1.629 20 0 BDADLO Cc1cc(N2C[C@H](C)OC(C)(C)C2)nc[nH+]1 ZINC000110289782 397903602 /nfs/dbraw/zinc/90/36/02/397903602.db2.gz DZSSVUZJLXNKGZ-JTQLQIEISA-N 1 2 221.304 1.789 20 0 BDADLO CO[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000271132393 397963344 /nfs/dbraw/zinc/96/33/44/397963344.db2.gz NKHQVVVXPBRXRX-JTQLQIEISA-N 1 2 235.287 1.643 20 0 BDADLO CC(C)CCO[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114126291 397917132 /nfs/dbraw/zinc/91/71/32/397917132.db2.gz NWNQIDQQAJGMMF-SNVBAGLBSA-N 1 2 239.319 1.477 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](OC)C1CC1 ZINC000382209519 397921611 /nfs/dbraw/zinc/92/16/11/397921611.db2.gz GSTLLKUCLORCDG-LLVKDONJSA-N 1 2 222.288 1.927 20 0 BDADLO CN(CCCCO)c1[nH+]c2ccccc2n1C ZINC000276165628 398044516 /nfs/dbraw/zinc/04/45/16/398044516.db2.gz BYQQMAQYCYTTEC-UHFFFAOYSA-N 1 2 233.315 1.782 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649617937 398000594 /nfs/dbraw/zinc/00/05/94/398000594.db2.gz CEBKEOKJJKYYLG-GFCCVEGCSA-N 1 2 221.304 1.050 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649617937 398000596 /nfs/dbraw/zinc/00/05/96/398000596.db2.gz CEBKEOKJJKYYLG-GFCCVEGCSA-N 1 2 221.304 1.050 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000372317643 398002077 /nfs/dbraw/zinc/00/20/77/398002077.db2.gz XJNJHEKGBMLHIE-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000372317643 398002081 /nfs/dbraw/zinc/00/20/81/398002081.db2.gz XJNJHEKGBMLHIE-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO O[C@@H]1COC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000323412971 398008145 /nfs/dbraw/zinc/00/81/45/398008145.db2.gz WOFBBYVSNKGMSE-NWDGAFQWSA-N 1 2 230.267 1.406 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccno1 ZINC000274816756 398015422 /nfs/dbraw/zinc/01/54/22/398015422.db2.gz AOTPQEGNHBRHBM-ONGXEEELSA-N 1 2 238.287 1.448 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccno1 ZINC000274816756 398015426 /nfs/dbraw/zinc/01/54/26/398015426.db2.gz AOTPQEGNHBRHBM-ONGXEEELSA-N 1 2 238.287 1.448 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)on1 ZINC000275082145 398019720 /nfs/dbraw/zinc/01/97/20/398019720.db2.gz DTBFMMVDZWQEPU-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)on1 ZINC000275082145 398019729 /nfs/dbraw/zinc/01/97/29/398019729.db2.gz DTBFMMVDZWQEPU-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C=CCCC1 ZINC000354807963 398047705 /nfs/dbraw/zinc/04/77/05/398047705.db2.gz GXFPXBALZBUXNY-SNVBAGLBSA-N 1 2 219.288 1.567 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CCC12CCCC2 ZINC000649658457 398028141 /nfs/dbraw/zinc/02/81/41/398028141.db2.gz LQSZPIKOCJILPG-UHFFFAOYSA-N 1 2 238.310 1.766 20 0 BDADLO FCCn1ncnc1C[N@H+]1CCC12CCCC2 ZINC000649658457 398028142 /nfs/dbraw/zinc/02/81/42/398028142.db2.gz LQSZPIKOCJILPG-UHFFFAOYSA-N 1 2 238.310 1.766 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000451323670 397972048 /nfs/dbraw/zinc/97/20/48/397972048.db2.gz IZEDUSRCZRTVHV-VIFPVBQESA-N 1 2 240.376 1.865 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000451323670 397972050 /nfs/dbraw/zinc/97/20/50/397972050.db2.gz IZEDUSRCZRTVHV-VIFPVBQESA-N 1 2 240.376 1.865 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](SC)C1 ZINC000451321607 397972075 /nfs/dbraw/zinc/97/20/75/397972075.db2.gz DBEUMZZRGJUQFY-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@@H](SC)C1 ZINC000451321607 397972077 /nfs/dbraw/zinc/97/20/77/397972077.db2.gz DBEUMZZRGJUQFY-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CC(C)C[C@H](CO)[N@H+](C)Cc1csnn1 ZINC000554889102 397974429 /nfs/dbraw/zinc/97/44/29/397974429.db2.gz GDZHLWKFWOBAFO-SNVBAGLBSA-N 1 2 229.349 1.377 20 0 BDADLO CC(C)C[C@H](CO)[N@@H+](C)Cc1csnn1 ZINC000554889102 397974433 /nfs/dbraw/zinc/97/44/33/397974433.db2.gz GDZHLWKFWOBAFO-SNVBAGLBSA-N 1 2 229.349 1.377 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000528377266 397985155 /nfs/dbraw/zinc/98/51/55/397985155.db2.gz DRZQWGPVLJFHGH-WXLQGSQKSA-N 1 2 230.739 1.585 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000528377266 397985157 /nfs/dbraw/zinc/98/51/57/397985157.db2.gz DRZQWGPVLJFHGH-WXLQGSQKSA-N 1 2 230.739 1.585 20 0 BDADLO CC(C)SCCN1CC[N@H+](CCO)C[C@H]1C ZINC000452134505 397985393 /nfs/dbraw/zinc/98/53/93/397985393.db2.gz UOVPHFKVBDDDCK-GFCCVEGCSA-N 1 2 246.420 1.126 20 0 BDADLO CC(C)SCCN1CC[N@@H+](CCO)C[C@H]1C ZINC000452134505 397985395 /nfs/dbraw/zinc/98/53/95/397985395.db2.gz UOVPHFKVBDDDCK-GFCCVEGCSA-N 1 2 246.420 1.126 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000650215226 397989059 /nfs/dbraw/zinc/98/90/59/397989059.db2.gz HHESAVFDHSKIRQ-JTQLQIEISA-N 1 2 205.248 1.754 20 0 BDADLO FC(F)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000650215226 397989062 /nfs/dbraw/zinc/98/90/62/397989062.db2.gz HHESAVFDHSKIRQ-JTQLQIEISA-N 1 2 205.248 1.754 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCCC(F)(F)C2)CCO1 ZINC000649695556 398044076 /nfs/dbraw/zinc/04/40/76/398044076.db2.gz ZWMSSOKUGMPPLC-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCCC(F)(F)C2)CCO1 ZINC000649695556 398044081 /nfs/dbraw/zinc/04/40/81/398044081.db2.gz ZWMSSOKUGMPPLC-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000291328867 398092274 /nfs/dbraw/zinc/09/22/74/398092274.db2.gz UJCXUEDLEDFRMQ-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1ccccn1 ZINC000291328867 398092278 /nfs/dbraw/zinc/09/22/78/398092278.db2.gz UJCXUEDLEDFRMQ-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cn(C)nn1 ZINC000649718758 398060681 /nfs/dbraw/zinc/06/06/81/398060681.db2.gz FYQHTGITTAITDR-NEPJUHHUSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cn(C)nn1 ZINC000649718758 398060683 /nfs/dbraw/zinc/06/06/83/398060683.db2.gz FYQHTGITTAITDR-NEPJUHHUSA-N 1 2 238.335 1.205 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1cncs1 ZINC000291327795 398092619 /nfs/dbraw/zinc/09/26/19/398092619.db2.gz UGSISANLLKCYEX-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1cncs1 ZINC000291327795 398092621 /nfs/dbraw/zinc/09/26/21/398092621.db2.gz UGSISANLLKCYEX-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1nccn1C ZINC000649717393 398064109 /nfs/dbraw/zinc/06/41/09/398064109.db2.gz DQKGYUKXXSVKRZ-NEPJUHHUSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1nccn1C ZINC000649717393 398064110 /nfs/dbraw/zinc/06/41/10/398064110.db2.gz DQKGYUKXXSVKRZ-NEPJUHHUSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)CN1Cc1[nH+]ccn1C ZINC000649717393 398064112 /nfs/dbraw/zinc/06/41/12/398064112.db2.gz DQKGYUKXXSVKRZ-NEPJUHHUSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)C)[C@H](C)CO1 ZINC000649730148 398067727 /nfs/dbraw/zinc/06/77/27/398067727.db2.gz MFBGFWXDVSQQDZ-MNOVXSKESA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)C)[C@H](C)CO1 ZINC000649730148 398067730 /nfs/dbraw/zinc/06/77/30/398067730.db2.gz MFBGFWXDVSQQDZ-MNOVXSKESA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)no2)[C@@H](C)CO1 ZINC000649732233 398072720 /nfs/dbraw/zinc/07/27/20/398072720.db2.gz UTPLWIKHKRMMHF-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)no2)[C@@H](C)CO1 ZINC000649732233 398072722 /nfs/dbraw/zinc/07/27/22/398072722.db2.gz UTPLWIKHKRMMHF-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccn(C)c1 ZINC000128562349 398075400 /nfs/dbraw/zinc/07/54/00/398075400.db2.gz APHRGSFZNWTVEK-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccn(C)c1 ZINC000128562349 398075401 /nfs/dbraw/zinc/07/54/01/398075401.db2.gz APHRGSFZNWTVEK-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@@H](C)CO1 ZINC000649736484 398077488 /nfs/dbraw/zinc/07/74/88/398077488.db2.gz BMYAYPCQQWLTLI-SMDDNHRTSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@@H](C)CO1 ZINC000649736484 398077489 /nfs/dbraw/zinc/07/74/89/398077489.db2.gz BMYAYPCQQWLTLI-SMDDNHRTSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000649736234 398077658 /nfs/dbraw/zinc/07/76/58/398077658.db2.gz YCGYBZIBPFCWPE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000649736234 398077661 /nfs/dbraw/zinc/07/76/61/398077661.db2.gz YCGYBZIBPFCWPE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000649736233 398078115 /nfs/dbraw/zinc/07/81/15/398078115.db2.gz YCGYBZIBPFCWPE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2C)[C@@H](C)CO1 ZINC000649736233 398078119 /nfs/dbraw/zinc/07/81/19/398078119.db2.gz YCGYBZIBPFCWPE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@@H](C)CO1 ZINC000649736482 398078138 /nfs/dbraw/zinc/07/81/38/398078138.db2.gz BMYAYPCQQWLTLI-FZMZJTMJSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@@H](C)CO1 ZINC000649736482 398078141 /nfs/dbraw/zinc/07/81/41/398078141.db2.gz BMYAYPCQQWLTLI-FZMZJTMJSA-N 1 2 249.358 1.829 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000602883110 398081907 /nfs/dbraw/zinc/08/19/07/398081907.db2.gz HOWLLQISOTVKPN-ZDUSSCGKSA-N 1 2 237.347 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000602883110 398081908 /nfs/dbraw/zinc/08/19/08/398081908.db2.gz HOWLLQISOTVKPN-ZDUSSCGKSA-N 1 2 237.347 1.290 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nnnn2C)cc1 ZINC000188661235 398082638 /nfs/dbraw/zinc/08/26/38/398082638.db2.gz LSSKCHFDWKCUAG-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2nnnn2C)cc1 ZINC000188661235 398082640 /nfs/dbraw/zinc/08/26/40/398082640.db2.gz LSSKCHFDWKCUAG-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000649703975 398052537 /nfs/dbraw/zinc/05/25/37/398052537.db2.gz RRZOGKHYDZLWAW-SNVBAGLBSA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000649703975 398052542 /nfs/dbraw/zinc/05/25/42/398052542.db2.gz RRZOGKHYDZLWAW-SNVBAGLBSA-N 1 2 241.360 1.928 20 0 BDADLO CC1(C)C[C@@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621255474 398108623 /nfs/dbraw/zinc/10/86/23/398108623.db2.gz PXUGEPPVLPVCRF-ZETCQYMHSA-N 1 2 245.286 1.267 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000643251758 398111935 /nfs/dbraw/zinc/11/19/35/398111935.db2.gz OVOJJUQDVVAUDA-RKDXNWHRSA-N 1 2 234.303 1.071 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000643251758 398111939 /nfs/dbraw/zinc/11/19/39/398111939.db2.gz OVOJJUQDVVAUDA-RKDXNWHRSA-N 1 2 234.303 1.071 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)[nH]1 ZINC000571951733 398128421 /nfs/dbraw/zinc/12/84/21/398128421.db2.gz ONDUJZXJTLWNBF-SECBINFHSA-N 1 2 248.334 1.741 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649212674 398130394 /nfs/dbraw/zinc/13/03/94/398130394.db2.gz MGFUYLCSWSZRQQ-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO CNc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000286322375 398132431 /nfs/dbraw/zinc/13/24/31/398132431.db2.gz XZMSWUPBPXKZSJ-UHFFFAOYSA-N 1 2 245.286 1.085 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCc1ccsc1 ZINC000547864118 398133553 /nfs/dbraw/zinc/13/35/53/398133553.db2.gz AZMCIPXOKFMIRC-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO Cc1sccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000295519597 398134119 /nfs/dbraw/zinc/13/41/19/398134119.db2.gz ZVNNJGMHXJARFI-NSHDSACASA-N 1 2 227.329 1.250 20 0 BDADLO Cc1sccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000295519597 398134123 /nfs/dbraw/zinc/13/41/23/398134123.db2.gz ZVNNJGMHXJARFI-NSHDSACASA-N 1 2 227.329 1.250 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000372955530 167021239 /nfs/dbraw/zinc/02/12/39/167021239.db2.gz NWJXRIAQGWSABP-AAEUAGOBSA-N 1 2 241.331 1.343 20 0 BDADLO CC[NH+](CC)C[C@@H](C)Oc1nccc(=O)[nH]1 ZINC001226324256 974855599 /nfs/dbraw/zinc/85/55/99/974855599.db2.gz IZNPLKVFSALWPC-SECBINFHSA-N 1 2 225.292 1.291 20 0 BDADLO CCn1ccc(NCc2[nH+]ccn2CC)n1 ZINC000300932272 487558878 /nfs/dbraw/zinc/55/88/78/487558878.db2.gz WFNDGWHNCKDILE-UHFFFAOYSA-N 1 2 219.292 1.732 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000674370782 487564181 /nfs/dbraw/zinc/56/41/81/487564181.db2.gz BOQROLADSHFJEN-SECBINFHSA-N 1 2 249.236 1.183 20 0 BDADLO CCc1onc(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC000527002453 487567047 /nfs/dbraw/zinc/56/70/47/487567047.db2.gz PGLWRWVWTWKRCT-UHFFFAOYSA-N 1 2 248.286 1.840 20 0 BDADLO CCc1onc(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC000527002453 487567048 /nfs/dbraw/zinc/56/70/48/487567048.db2.gz PGLWRWVWTWKRCT-UHFFFAOYSA-N 1 2 248.286 1.840 20 0 BDADLO CCCn1nccc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000020349977 487567715 /nfs/dbraw/zinc/56/77/15/487567715.db2.gz QCQKLKWTFLHHOO-NSHDSACASA-N 1 2 247.346 1.877 20 0 BDADLO CCC(CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000074785483 487574460 /nfs/dbraw/zinc/57/44/60/487574460.db2.gz CUONUPBGFKCMQQ-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO CCC(CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000074785483 487574465 /nfs/dbraw/zinc/57/44/65/487574465.db2.gz CUONUPBGFKCMQQ-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO Cc1ccc(NC(=O)NC2([C@H](C)O)CC2)c(C)[nH+]1 ZINC000666315265 487575525 /nfs/dbraw/zinc/57/55/25/487575525.db2.gz VVBWJMSDILAYQL-JTQLQIEISA-N 1 2 249.314 1.733 20 0 BDADLO O[C@@H]1[C@@H]([NH2+]Cc2ccn[nH]2)CCCC1(F)F ZINC000334875115 487577411 /nfs/dbraw/zinc/57/74/11/487577411.db2.gz SZWODXJCHQSTSA-DTWKUNHWSA-N 1 2 231.246 1.048 20 0 BDADLO CCc1cc(N[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000077993999 487579808 /nfs/dbraw/zinc/57/98/08/487579808.db2.gz NHBDDWCYFYLWSS-UWVGGRQHSA-N 1 2 207.277 1.364 20 0 BDADLO Cc1ncc(CNc2cc(NC3CC3)[nH+]cn2)o1 ZINC000665736386 487580339 /nfs/dbraw/zinc/58/03/39/487580339.db2.gz FDGMPAUTNDWCFZ-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO Cc1ncc(CNc2cc(NC3CC3)nc[nH+]2)o1 ZINC000665736386 487580347 /nfs/dbraw/zinc/58/03/47/487580347.db2.gz FDGMPAUTNDWCFZ-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C)nc1 ZINC000083596184 487586504 /nfs/dbraw/zinc/58/65/04/487586504.db2.gz VJCLIRTVHJDWLP-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccc(C[N@H+]2CCOC[C@@H]2C)nc1 ZINC000083596184 487586511 /nfs/dbraw/zinc/58/65/11/487586511.db2.gz VJCLIRTVHJDWLP-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000674494379 487587078 /nfs/dbraw/zinc/58/70/78/487587078.db2.gz XPOXZFJUYQFQFG-QMMMGPOBSA-N 1 2 247.302 1.053 20 0 BDADLO CC(C)OC[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000373488347 167272419 /nfs/dbraw/zinc/27/24/19/167272419.db2.gz CWBMKWQSZKWEGU-CYBMUJFWSA-N 1 2 239.315 1.905 20 0 BDADLO CC(C)OC[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000373488347 167272422 /nfs/dbraw/zinc/27/24/22/167272422.db2.gz CWBMKWQSZKWEGU-CYBMUJFWSA-N 1 2 239.315 1.905 20 0 BDADLO CC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000671491686 487593968 /nfs/dbraw/zinc/59/39/68/487593968.db2.gz KTTHWTYYCJKTAD-ZJUUUORDSA-N 1 2 236.319 1.464 20 0 BDADLO CC[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000671491686 487593976 /nfs/dbraw/zinc/59/39/76/487593976.db2.gz KTTHWTYYCJKTAD-ZJUUUORDSA-N 1 2 236.319 1.464 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668823749 487604596 /nfs/dbraw/zinc/60/45/96/487604596.db2.gz BSMNMUNIQWBSCB-LBPRGKRZSA-N 1 2 244.285 1.881 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668823749 487604599 /nfs/dbraw/zinc/60/45/99/487604599.db2.gz BSMNMUNIQWBSCB-LBPRGKRZSA-N 1 2 244.285 1.881 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000679574287 487607200 /nfs/dbraw/zinc/60/72/00/487607200.db2.gz HAKLNSAOVDHUEY-VIFPVBQESA-N 1 2 247.298 1.442 20 0 BDADLO c1c[nH+]c(COCC[C@H]2CCCCO2)[nH]1 ZINC000680500850 487607997 /nfs/dbraw/zinc/60/79/97/487607997.db2.gz DLAKGIHZJZKPMU-SNVBAGLBSA-N 1 2 210.277 1.886 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2ccsc2[nH]1 ZINC000674716135 487608423 /nfs/dbraw/zinc/60/84/23/487608423.db2.gz MTZNHPXSAQOUNF-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2ccsc2[nH]1 ZINC000674716135 487608428 /nfs/dbraw/zinc/60/84/28/487608428.db2.gz MTZNHPXSAQOUNF-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO CC(C)SCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330591040 167326230 /nfs/dbraw/zinc/32/62/30/167326230.db2.gz ZACZOZWAZBDXRC-ZJUUUORDSA-N 1 2 246.376 1.753 20 0 BDADLO CC(C)SCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330591040 167326233 /nfs/dbraw/zinc/32/62/33/167326233.db2.gz ZACZOZWAZBDXRC-ZJUUUORDSA-N 1 2 246.376 1.753 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2COC(C)(C)C2)s1 ZINC000662255109 409550630 /nfs/dbraw/zinc/55/06/30/409550630.db2.gz OPIRXIPVCIKGBO-VIFPVBQESA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2COC(C)(C)C2)s1 ZINC000662255109 409550639 /nfs/dbraw/zinc/55/06/39/409550639.db2.gz OPIRXIPVCIKGBO-VIFPVBQESA-N 1 2 241.360 1.846 20 0 BDADLO C[C@@H](O)C[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660768251 409728063 /nfs/dbraw/zinc/72/80/63/409728063.db2.gz QZBHCFBAHUEELW-ZYHUDNBSSA-N 1 2 246.314 1.207 20 0 BDADLO C[C@@H](O)C[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660768251 409728070 /nfs/dbraw/zinc/72/80/70/409728070.db2.gz QZBHCFBAHUEELW-ZYHUDNBSSA-N 1 2 246.314 1.207 20 0 BDADLO CC(C)n1cc[nH+]c1CN(C)Cc1cn[nH]c1 ZINC000674752449 487611709 /nfs/dbraw/zinc/61/17/09/487611709.db2.gz VNQCNFFSJNIARG-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1cccc(N)c1 ZINC000661089909 410157321 /nfs/dbraw/zinc/15/73/21/410157321.db2.gz JAUVFFWSCQJPSS-UHFFFAOYSA-N 1 2 216.288 1.624 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1cccc(N)c1 ZINC000661089909 410157324 /nfs/dbraw/zinc/15/73/24/410157324.db2.gz JAUVFFWSCQJPSS-UHFFFAOYSA-N 1 2 216.288 1.624 20 0 BDADLO Cc1nc([C@@H](C)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000661090886 410162878 /nfs/dbraw/zinc/16/28/78/410162878.db2.gz URWGEWULCFKLNA-SSDOTTSWSA-N 1 2 221.264 1.294 20 0 BDADLO Cc1nc([C@@H](C)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000661090886 410162885 /nfs/dbraw/zinc/16/28/85/410162885.db2.gz URWGEWULCFKLNA-SSDOTTSWSA-N 1 2 221.264 1.294 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000655397806 410199646 /nfs/dbraw/zinc/19/96/46/410199646.db2.gz IHBWDOPWFMNEEQ-JTQLQIEISA-N 1 2 237.303 1.660 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000655397806 410199653 /nfs/dbraw/zinc/19/96/53/410199653.db2.gz IHBWDOPWFMNEEQ-JTQLQIEISA-N 1 2 237.303 1.660 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661176280 410322762 /nfs/dbraw/zinc/32/27/62/410322762.db2.gz CVPNTKAIPJWYQO-WPRPVWTQSA-N 1 2 222.292 1.350 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661176280 410322764 /nfs/dbraw/zinc/32/27/64/410322764.db2.gz CVPNTKAIPJWYQO-WPRPVWTQSA-N 1 2 222.292 1.350 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000650767868 410417542 /nfs/dbraw/zinc/41/75/42/410417542.db2.gz GVCVBQBTYDIWAV-ZJUUUORDSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000650767868 410417547 /nfs/dbraw/zinc/41/75/47/410417547.db2.gz GVCVBQBTYDIWAV-ZJUUUORDSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767865 410417701 /nfs/dbraw/zinc/41/77/01/410417701.db2.gz GVCVBQBTYDIWAV-NXEZZACHSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767865 410417707 /nfs/dbraw/zinc/41/77/07/410417707.db2.gz GVCVBQBTYDIWAV-NXEZZACHSA-N 1 2 249.314 1.309 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ccoc1 ZINC000130651244 410407919 /nfs/dbraw/zinc/40/79/19/410407919.db2.gz CKRXKTKKQAJVHD-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO CO[C@H](CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000664155599 410469092 /nfs/dbraw/zinc/46/90/92/410469092.db2.gz ADIIREOBMLJBDN-WDEREUQCSA-N 1 2 222.288 1.545 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCn1cccc1 ZINC000650789252 410436235 /nfs/dbraw/zinc/43/62/35/410436235.db2.gz YAAWKQNJIMXQDK-UHFFFAOYSA-N 1 2 246.314 1.411 20 0 BDADLO CCc1ncn(Cc2[nH+]ccn2C(F)F)n1 ZINC000664040840 410441212 /nfs/dbraw/zinc/44/12/12/410441212.db2.gz SWRUBBWKRPNHOD-UHFFFAOYSA-N 1 2 227.218 1.480 20 0 BDADLO COc1ccnc(CNc2cc[nH+]c(C)n2)c1F ZINC000664399318 410577629 /nfs/dbraw/zinc/57/76/29/410577629.db2.gz VYYBXQDENGVMSZ-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO COC(C)(C)CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661409868 410621731 /nfs/dbraw/zinc/62/17/31/410621731.db2.gz XMDYURUKRZDSGS-VIFPVBQESA-N 1 2 237.290 1.503 20 0 BDADLO COC(C)(C)CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661409868 410621735 /nfs/dbraw/zinc/62/17/35/410621735.db2.gz XMDYURUKRZDSGS-VIFPVBQESA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000661413810 410624684 /nfs/dbraw/zinc/62/46/84/410624684.db2.gz PKDHAVLYWGVJGU-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000661413810 410624687 /nfs/dbraw/zinc/62/46/87/410624687.db2.gz PKDHAVLYWGVJGU-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661414702 410624715 /nfs/dbraw/zinc/62/47/15/410624715.db2.gz UWOCYYWSXVLVSW-RKDXNWHRSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661414702 410624720 /nfs/dbraw/zinc/62/47/20/410624720.db2.gz UWOCYYWSXVLVSW-RKDXNWHRSA-N 1 2 237.290 1.095 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2cccc(N)c2)o1 ZINC000661529177 410729064 /nfs/dbraw/zinc/72/90/64/410729064.db2.gz QGPNRORIQDGERJ-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2cccc(N)c2)o1 ZINC000661529177 410729070 /nfs/dbraw/zinc/72/90/70/410729070.db2.gz QGPNRORIQDGERJ-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccnc2N)C[C@@H](C)C1=O ZINC000661539864 410739427 /nfs/dbraw/zinc/73/94/27/410739427.db2.gz WEJNSFRGSNKECL-NXEZZACHSA-N 1 2 233.315 1.321 20 0 BDADLO COC[C@H](C)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000362215857 410688478 /nfs/dbraw/zinc/68/84/78/410688478.db2.gz DNDSKRYVXQVJIV-LLVKDONJSA-N 1 2 246.314 1.384 20 0 BDADLO CC(C)N1C[C@H](Nc2cccc[nH+]2)CC1=O ZINC000264661322 167032386 /nfs/dbraw/zinc/03/23/86/167032386.db2.gz LNJIPGYWGQQYDS-SNVBAGLBSA-N 1 2 219.288 1.503 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@H]1C1CCCC1 ZINC000651302710 410910725 /nfs/dbraw/zinc/91/07/25/410910725.db2.gz OHHLLCKNXNSJHN-RYUDHWBXSA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)OCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000367906052 167197434 /nfs/dbraw/zinc/19/74/34/167197434.db2.gz FFEUFWYKONCTTF-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO CC(C)OC[C@H](C)[NH2+]CC(F)(F)CO ZINC000308650189 167263743 /nfs/dbraw/zinc/26/37/43/167263743.db2.gz JYFKTUBNYFIGGS-QMMMGPOBSA-N 1 2 211.252 1.017 20 0 BDADLO CC(C)OCc1nc([C@@H](C)[NH2+]C[C@H](C)O)no1 ZINC000339205493 167272168 /nfs/dbraw/zinc/27/21/68/167272168.db2.gz SDFXZDDEWRQJIF-DTWKUNHWSA-N 1 2 243.307 1.026 20 0 BDADLO CC(C)OCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357941291 167272447 /nfs/dbraw/zinc/27/24/47/167272447.db2.gz YKCZCUQRNUSQII-UHFFFAOYSA-N 1 2 236.275 1.319 20 0 BDADLO CC(C)Oc1ccc([NH2+]CCC(N)=O)cc1 ZINC000036925718 167296930 /nfs/dbraw/zinc/29/69/30/167296930.db2.gz YYCVOCXPOCRNQC-UHFFFAOYSA-N 1 2 222.288 1.761 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccccc1Cl ZINC000042157101 410970319 /nfs/dbraw/zinc/97/03/19/410970319.db2.gz HKEMBEBCYZFCAG-UHFFFAOYSA-N 1 2 226.707 1.647 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccccc1Cl ZINC000042157101 410970326 /nfs/dbraw/zinc/97/03/26/410970326.db2.gz HKEMBEBCYZFCAG-UHFFFAOYSA-N 1 2 226.707 1.647 20 0 BDADLO Cc1nc(N(C)[C@H](C)CCO)c2c([nH+]1)CCCC2 ZINC000651470863 411051357 /nfs/dbraw/zinc/05/13/57/411051357.db2.gz BINSQNQWVCEOSI-SNVBAGLBSA-N 1 2 249.358 1.871 20 0 BDADLO C[C@@H](CCO)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000651471610 411053038 /nfs/dbraw/zinc/05/30/38/411053038.db2.gz ZZONQERMHDGTLU-VIFPVBQESA-N 1 2 246.314 1.249 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)C[C@@H]2COCCO2)o1 ZINC000661612696 411055266 /nfs/dbraw/zinc/05/52/66/411055266.db2.gz TZHAFIZIUAOEOX-WDEREUQCSA-N 1 2 240.303 1.391 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)C[C@@H]2COCCO2)o1 ZINC000661612696 411055271 /nfs/dbraw/zinc/05/52/71/411055271.db2.gz TZHAFIZIUAOEOX-WDEREUQCSA-N 1 2 240.303 1.391 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCc1[nH+]ccn1C ZINC000285578990 167551328 /nfs/dbraw/zinc/55/13/28/167551328.db2.gz KUCXFOQDHIPUTM-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO Cc1cc(N2CC(C)(C)O[C@@H]3COC[C@H]32)nc[nH+]1 ZINC000651489376 411069292 /nfs/dbraw/zinc/06/92/92/411069292.db2.gz VIMAFZLHJDNZBE-GHMZBOCLSA-N 1 2 249.314 1.168 20 0 BDADLO Cc1nc(N2CC(C)(C)O[C@@H]3COC[C@H]32)cc[nH+]1 ZINC000651489154 411069357 /nfs/dbraw/zinc/06/93/57/411069357.db2.gz NYMCLTZKABLDAB-GHMZBOCLSA-N 1 2 249.314 1.168 20 0 BDADLO OC[C@@H](CCF)Nc1ccc2ccccc2[nH+]1 ZINC000651462429 411044383 /nfs/dbraw/zinc/04/43/83/411044383.db2.gz ZXBDVQFOJUGLRC-LLVKDONJSA-N 1 2 234.274 1.789 20 0 BDADLO c1c2cnccc2oc1C[NH+]1CCOCC1 ZINC000651603717 411129302 /nfs/dbraw/zinc/12/93/02/411129302.db2.gz CLXYPYMOXFZRAT-UHFFFAOYSA-N 1 2 218.256 1.660 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1cccc2c1CCC2 ZINC000651764385 411142541 /nfs/dbraw/zinc/14/25/41/411142541.db2.gz WNORBKKPEPFKLB-UHFFFAOYSA-N 1 2 241.281 1.893 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000665643059 411143267 /nfs/dbraw/zinc/14/32/67/411143267.db2.gz GYRXTGLFFZREFU-UWVGGRQHSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](CNc1cc[nH+]c(C(=O)[O-])c1)[NH+](C)C ZINC000045110062 411144207 /nfs/dbraw/zinc/14/42/07/411144207.db2.gz AYNPWGRSLXCUNJ-QMMMGPOBSA-N 1 2 223.276 1.142 20 0 BDADLO Cc1cn(C)nc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000620923045 411144735 /nfs/dbraw/zinc/14/47/35/411144735.db2.gz BDSWGCGFUVIFTI-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1cn(C)nc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000620923045 411144736 /nfs/dbraw/zinc/14/47/36/411144736.db2.gz BDSWGCGFUVIFTI-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000212311828 411146204 /nfs/dbraw/zinc/14/62/04/411146204.db2.gz LUFUIZRDNLYCDW-LLVKDONJSA-N 1 2 229.283 1.307 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCO[C@H](C2CC2)C1 ZINC000493698964 411146619 /nfs/dbraw/zinc/14/66/19/411146619.db2.gz XJYPFWVKSQEBBN-BYCRGOAPSA-N 1 2 247.298 1.060 20 0 BDADLO CC[C@H]1C[N@H+](Cc2conc2C)[C@H](C)CO1 ZINC000651932247 411150704 /nfs/dbraw/zinc/15/07/04/411150704.db2.gz OUDGMPJVDRFBBN-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2conc2C)[C@H](C)CO1 ZINC000651932247 411150705 /nfs/dbraw/zinc/15/07/05/411150705.db2.gz OUDGMPJVDRFBBN-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](CC)OC[C@@H]2C)cn1 ZINC000651932224 411150841 /nfs/dbraw/zinc/15/08/41/411150841.db2.gz OFDDEIOPWRQQHT-WCQYABFASA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](CC)OC[C@@H]2C)cn1 ZINC000651932224 411150842 /nfs/dbraw/zinc/15/08/42/411150842.db2.gz OFDDEIOPWRQQHT-WCQYABFASA-N 1 2 235.331 1.983 20 0 BDADLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCOCC1 ZINC000052635246 411101952 /nfs/dbraw/zinc/10/19/52/411101952.db2.gz SYDYYVIVADAXLI-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCO[C@@H]2C)c1 ZINC000652068783 411106377 /nfs/dbraw/zinc/10/63/77/411106377.db2.gz OZNJGGIUPUNFCT-KOLCDFICSA-N 1 2 222.288 1.817 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047662306 411162041 /nfs/dbraw/zinc/16/20/41/411162041.db2.gz HESIDXNVNZEKLC-QWRGUYRKSA-N 1 2 238.335 1.759 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCOCC12CCC2 ZINC000493165697 411123344 /nfs/dbraw/zinc/12/33/44/411123344.db2.gz YAVUJRLVQDJHSN-NSCUHMNNSA-N 1 2 247.298 1.204 20 0 BDADLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)on1 ZINC000660005662 411167954 /nfs/dbraw/zinc/16/79/54/411167954.db2.gz DLCOBVUOOMFKNJ-VIFPVBQESA-N 1 2 240.303 1.683 20 0 BDADLO COc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)on1 ZINC000660005662 411167957 /nfs/dbraw/zinc/16/79/57/411167957.db2.gz DLCOBVUOOMFKNJ-VIFPVBQESA-N 1 2 240.303 1.683 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1C[C@H]1C ZINC000656108709 411179588 /nfs/dbraw/zinc/17/95/88/411179588.db2.gz OPXGIAAKGOQTFA-VXNVDRBHSA-N 1 2 207.277 1.862 20 0 BDADLO O[C@@H](C[NH+]1CC2(CC2(F)F)C1)C(F)(F)F ZINC000656154783 411188127 /nfs/dbraw/zinc/18/81/27/411188127.db2.gz UPQKFXFEXCNXOR-YFKPBYRVSA-N 1 2 231.164 1.251 20 0 BDADLO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ncn(C)n1 ZINC000657983437 411188596 /nfs/dbraw/zinc/18/85/96/411188596.db2.gz QESDPBPNHKRWIX-VHSXEESVSA-N 1 2 236.319 1.177 20 0 BDADLO CC[C@@H](O)C[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653809066 411188827 /nfs/dbraw/zinc/18/88/27/411188827.db2.gz MCOUAXYOMFYCGH-GFCCVEGCSA-N 1 2 228.380 1.564 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[C@@H](C)O ZINC000656181648 411194809 /nfs/dbraw/zinc/19/48/09/411194809.db2.gz DPFPZKZFRUKYKA-SECBINFHSA-N 1 2 209.293 1.666 20 0 BDADLO C[C@@H](O)C[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830788 411196123 /nfs/dbraw/zinc/19/61/23/411196123.db2.gz KGANEUNNVJFXNM-SSDOTTSWSA-N 1 2 213.227 1.661 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCn3ccnc32)c1 ZINC000652330803 411202532 /nfs/dbraw/zinc/20/25/32/411202532.db2.gz PXOJUKRCLOJVPT-NSHDSACASA-N 1 2 244.298 1.981 20 0 BDADLO Cc1cnc(CNc2cc[nH+]c(C)n2)nc1 ZINC000656201369 411206311 /nfs/dbraw/zinc/20/63/11/411206311.db2.gz ABPPGRYZLXZEMD-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000335245920 411206476 /nfs/dbraw/zinc/20/64/76/411206476.db2.gz ACGZMKBHDFPJBA-JQWIXIFHSA-N 1 2 226.320 1.114 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000335245920 411206481 /nfs/dbraw/zinc/20/64/81/411206481.db2.gz ACGZMKBHDFPJBA-JQWIXIFHSA-N 1 2 226.320 1.114 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2cccc(C)n2)n1 ZINC000653888356 411209249 /nfs/dbraw/zinc/20/92/49/411209249.db2.gz PATHOBUXTHGWPN-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2cccc(C)n2)n1 ZINC000653888356 411209253 /nfs/dbraw/zinc/20/92/53/411209253.db2.gz PATHOBUXTHGWPN-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO COCC1(CNc2nc[nH+]c(N)c2Cl)CC1 ZINC000656212807 411212361 /nfs/dbraw/zinc/21/23/61/411212361.db2.gz FVQVMWJKSVFKLK-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BDADLO COCC1(CNc2[nH+]cnc(N)c2Cl)CC1 ZINC000656212807 411212364 /nfs/dbraw/zinc/21/23/64/411212364.db2.gz FVQVMWJKSVFKLK-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BDADLO Nc1ccc(NC(=O)c2cnc3n2CCC3)c[nH+]1 ZINC000659293423 411214521 /nfs/dbraw/zinc/21/45/21/411214521.db2.gz DHAKGOIVZIZZOL-UHFFFAOYSA-N 1 2 243.270 1.059 20 0 BDADLO Cc1nc(N(C[C@H](C)O)C2CC2)cc[nH+]1 ZINC000656230973 411215405 /nfs/dbraw/zinc/21/54/05/411215405.db2.gz ZMLBZMSGMMPZAU-QMMMGPOBSA-N 1 2 207.277 1.135 20 0 BDADLO OCCC1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000656263822 411218722 /nfs/dbraw/zinc/21/87/22/411218722.db2.gz OWXVKILSDISLHW-UHFFFAOYSA-N 1 2 235.331 1.034 20 0 BDADLO Cc1ccc(Cn2ncc3c2C[C@@H](O)CC3)c[nH+]1 ZINC000655672098 411219466 /nfs/dbraw/zinc/21/94/66/411219466.db2.gz BTKMMIOJUFSJCE-ZDUSSCGKSA-N 1 2 243.310 1.484 20 0 BDADLO OCc1ccc(C[NH+]2CC3(CC3(F)F)C2)o1 ZINC000656265873 411221041 /nfs/dbraw/zinc/22/10/41/411221041.db2.gz MDDOOBXGHZJWKT-UHFFFAOYSA-N 1 2 229.226 1.613 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352663884 167799415 /nfs/dbraw/zinc/79/94/15/167799415.db2.gz AHIKNDWCZXIOSU-MNOVXSKESA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352663884 167799417 /nfs/dbraw/zinc/79/94/17/167799417.db2.gz AHIKNDWCZXIOSU-MNOVXSKESA-N 1 2 238.335 1.204 20 0 BDADLO C[C@H](CC(=O)Nc1ccc(N)[nH+]c1)[C@@H]1CCCO1 ZINC000659295131 411223641 /nfs/dbraw/zinc/22/36/41/411223641.db2.gz QVNYQRIUHVHJJB-KOLCDFICSA-N 1 2 249.314 1.808 20 0 BDADLO CCC[C@H](O)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652411945 411233337 /nfs/dbraw/zinc/23/33/37/411233337.db2.gz AQIATVPWPYZXJF-VIFPVBQESA-N 1 2 239.319 1.312 20 0 BDADLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C)cc1 ZINC000422976342 411236380 /nfs/dbraw/zinc/23/63/80/411236380.db2.gz CVYOMYADOHODHL-CHWSQXEVSA-N 1 2 248.326 1.701 20 0 BDADLO FC1(F)C[C@H]1OCC[N@@H+]1CCOCC12CCC2 ZINC000660117115 411237641 /nfs/dbraw/zinc/23/76/41/411237641.db2.gz MCWKWOPAZCGOIC-SNVBAGLBSA-N 1 2 247.285 1.666 20 0 BDADLO FC1(F)C[C@H]1OCC[N@H+]1CCOCC12CCC2 ZINC000660117115 411237648 /nfs/dbraw/zinc/23/76/48/411237648.db2.gz MCWKWOPAZCGOIC-SNVBAGLBSA-N 1 2 247.285 1.666 20 0 BDADLO COc1ccc(-c2[nH+]ccn2C)c(C)n1 ZINC000656371254 411240123 /nfs/dbraw/zinc/24/01/23/411240123.db2.gz BEJQLTKDJVMYQX-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO COCC[N@H+](C)Cc1cn(CC(C)(C)C)nn1 ZINC000656454523 411262699 /nfs/dbraw/zinc/26/26/99/411262699.db2.gz DPTWWJRSILGMPT-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO COCC[N@@H+](C)Cc1cn(CC(C)(C)C)nn1 ZINC000656454523 411262700 /nfs/dbraw/zinc/26/27/00/411262700.db2.gz DPTWWJRSILGMPT-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649207984 411264921 /nfs/dbraw/zinc/26/49/21/411264921.db2.gz JDWFFFUCBQTXKJ-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO FC(F)(F)[C@H]1CCN1CCCn1cc[nH+]c1 ZINC000660569552 411327155 /nfs/dbraw/zinc/32/71/55/411327155.db2.gz ACQKHQZSOMTUMM-SECBINFHSA-N 1 2 233.237 1.910 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+]Cc1cc[nH]n1)CCC2 ZINC000655711603 411265823 /nfs/dbraw/zinc/26/58/23/411265823.db2.gz JDZUROMNFIRTKQ-SNVBAGLBSA-N 1 2 217.276 1.231 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H]2CO)c(C)o1 ZINC000660154796 411267840 /nfs/dbraw/zinc/26/78/40/411267840.db2.gz MGQKQOINNXXEES-SNVBAGLBSA-N 1 2 242.344 1.201 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H]2CO)c(C)o1 ZINC000660154796 411267841 /nfs/dbraw/zinc/26/78/41/411267841.db2.gz MGQKQOINNXXEES-SNVBAGLBSA-N 1 2 242.344 1.201 20 0 BDADLO COCc1nnc(C[NH2+]C(C2CC2)C2CC2)[nH]1 ZINC000658157546 411271500 /nfs/dbraw/zinc/27/15/00/411271500.db2.gz CCHFJBOYJBYLKR-UHFFFAOYSA-N 1 2 236.319 1.229 20 0 BDADLO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159058 411272597 /nfs/dbraw/zinc/27/25/97/411272597.db2.gz NBISZHZZKZYUMB-UWVGGRQHSA-N 1 2 238.335 1.619 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1CC1CCCC1 ZINC000656451082 411273707 /nfs/dbraw/zinc/27/37/07/411273707.db2.gz KREPAZQBTDOUDG-LBPRGKRZSA-N 1 2 236.319 1.129 20 0 BDADLO CCC[C@H](CC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658160713 411274427 /nfs/dbraw/zinc/27/44/27/411274427.db2.gz ZHXYQWFBYBQTRV-VIFPVBQESA-N 1 2 226.324 1.619 20 0 BDADLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658163111 411276231 /nfs/dbraw/zinc/27/62/31/411276231.db2.gz ZBSMICRIADFQDR-RKDXNWHRSA-N 1 2 226.324 1.475 20 0 BDADLO CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658163109 411276443 /nfs/dbraw/zinc/27/64/43/411276443.db2.gz ZBSMICRIADFQDR-IUCAKERBSA-N 1 2 226.324 1.475 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)nc(C)n1 ZINC000659812914 411299846 /nfs/dbraw/zinc/29/98/46/411299846.db2.gz UUHUYPXOOAVLTI-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)nc(C)n1 ZINC000659812914 411299847 /nfs/dbraw/zinc/29/98/47/411299847.db2.gz UUHUYPXOOAVLTI-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO COc1nccnc1C[NH+]1CC2(CC(F)C2)C1 ZINC000656693695 411331616 /nfs/dbraw/zinc/33/16/16/411331616.db2.gz ULTNGQFTJVYPNC-UHFFFAOYSA-N 1 2 237.278 1.419 20 0 BDADLO C[N@H+](CC(=O)NC1CC1)Cc1cc(C2CC2)no1 ZINC000659829958 411313239 /nfs/dbraw/zinc/31/32/39/411313239.db2.gz ABKHCBDAHOFVAU-UHFFFAOYSA-N 1 2 249.314 1.262 20 0 BDADLO C[N@@H+](CC(=O)NC1CC1)Cc1cc(C2CC2)no1 ZINC000659829958 411313241 /nfs/dbraw/zinc/31/32/41/411313241.db2.gz ABKHCBDAHOFVAU-UHFFFAOYSA-N 1 2 249.314 1.262 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000359680650 411313608 /nfs/dbraw/zinc/31/36/08/411313608.db2.gz KZFOGVNBWZJIQZ-VIFPVBQESA-N 1 2 225.292 1.231 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000359680650 411313612 /nfs/dbraw/zinc/31/36/12/411313612.db2.gz KZFOGVNBWZJIQZ-VIFPVBQESA-N 1 2 225.292 1.231 20 0 BDADLO C[C@H](NC(=O)N[C@@H](C)C1CC1)c1[nH+]ccn1C ZINC000660252141 411321166 /nfs/dbraw/zinc/32/11/66/411321166.db2.gz KGEQGANAMUHZAB-IUCAKERBSA-N 1 2 236.319 1.579 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccn(C)n1 ZINC000336711238 411332928 /nfs/dbraw/zinc/33/29/28/411332928.db2.gz LTTJWOVBTPWIFI-ZDUSSCGKSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccn(C)n1 ZINC000336711238 411332930 /nfs/dbraw/zinc/33/29/30/411332930.db2.gz LTTJWOVBTPWIFI-ZDUSSCGKSA-N 1 2 237.347 1.667 20 0 BDADLO CCCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656444577 411252114 /nfs/dbraw/zinc/25/21/14/411252114.db2.gz UVWCXEIEWBPZGR-UHFFFAOYSA-N 1 2 240.376 1.627 20 0 BDADLO COc1ncc(CN(C)Cc2[nH]cc[nH+]2)c(C)n1 ZINC000660141376 411255992 /nfs/dbraw/zinc/25/59/92/411255992.db2.gz CJVFPYJGPLBVAP-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000287080858 167941758 /nfs/dbraw/zinc/94/17/58/167941758.db2.gz KMPKUGOOLYJGFD-HMDXOVGESA-N 1 2 219.288 1.728 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1ncc[nH]1)C1CCC1 ZINC000660142386 411257889 /nfs/dbraw/zinc/25/78/89/411257889.db2.gz WHBDFYJDWXMOQT-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1ncc[nH]1)C1CCC1 ZINC000660142386 411257894 /nfs/dbraw/zinc/25/78/94/411257894.db2.gz WHBDFYJDWXMOQT-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142827 411258486 /nfs/dbraw/zinc/25/84/86/411258486.db2.gz MAZIWHJNQXIAFQ-LLVKDONJSA-N 1 2 225.336 1.639 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142827 411258487 /nfs/dbraw/zinc/25/84/87/411258487.db2.gz MAZIWHJNQXIAFQ-LLVKDONJSA-N 1 2 225.336 1.639 20 0 BDADLO COc1ccc(CN(C)Cc2[nH]cc[nH+]2)nc1 ZINC000660142788 411258589 /nfs/dbraw/zinc/25/85/89/411258589.db2.gz JYYJVFXYGKINED-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cn1nncc1CNc1c[nH+]cc2c1CCCC2 ZINC000656776143 411356957 /nfs/dbraw/zinc/35/69/57/411356957.db2.gz JAMVOEPBKWPELV-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO Cc1nc(N[C@H](C)c2ncc[nH]2)cc[nH+]1 ZINC000125258086 411357126 /nfs/dbraw/zinc/35/71/26/411357126.db2.gz PJYIOUSBOHOOPS-SSDOTTSWSA-N 1 2 203.249 1.681 20 0 BDADLO Cc1nnc(NCc2[nH+]ccn2C(C)C)o1 ZINC000656769877 411363085 /nfs/dbraw/zinc/36/30/85/411363085.db2.gz UDEVCBOIUKKUBU-UHFFFAOYSA-N 1 2 221.264 1.768 20 0 BDADLO Cc1ccc(CCC[N@@H+](C)CC(C)(C)[NH3+])c[nH+]1 ZINC000656786373 411365526 /nfs/dbraw/zinc/36/55/26/411365526.db2.gz YFZRZXBVJOXPOH-UHFFFAOYSA-N 1 2 235.375 1.992 20 0 BDADLO Cc1ccc(CCC[N@H+](C)CC(C)(C)[NH3+])c[nH+]1 ZINC000656786373 411365529 /nfs/dbraw/zinc/36/55/29/411365529.db2.gz YFZRZXBVJOXPOH-UHFFFAOYSA-N 1 2 235.375 1.992 20 0 BDADLO FC(F)c1noc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661966484 411333891 /nfs/dbraw/zinc/33/38/91/411333891.db2.gz IYOJVZNJLXFKMA-BQBZGAKWSA-N 1 2 229.230 1.849 20 0 BDADLO FC(F)c1noc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661966484 411333894 /nfs/dbraw/zinc/33/38/94/411333894.db2.gz IYOJVZNJLXFKMA-BQBZGAKWSA-N 1 2 229.230 1.849 20 0 BDADLO CCOC1(C)CN(Cc2c[nH+]c3ccccn23)C1 ZINC000656736146 411340725 /nfs/dbraw/zinc/34/07/25/411340725.db2.gz YZQRLQAAEZIFFV-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660593290 411344842 /nfs/dbraw/zinc/34/48/42/411344842.db2.gz HQRMBCLWKAMQRY-GXSJLCMTSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660593290 411344845 /nfs/dbraw/zinc/34/48/45/411344845.db2.gz HQRMBCLWKAMQRY-GXSJLCMTSA-N 1 2 236.319 1.740 20 0 BDADLO CC1(CC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000336019485 168016241 /nfs/dbraw/zinc/01/62/41/168016241.db2.gz SOGXWLIVXOOXJR-UHFFFAOYSA-N 1 2 219.288 1.416 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccn(C)n1 ZINC000658338796 411345939 /nfs/dbraw/zinc/34/59/39/411345939.db2.gz LRSJWFRUKNCDGN-NXEZZACHSA-N 1 2 233.319 1.565 20 0 BDADLO C[C@@H](N[C@H](C)c1[nH+]ccn1C)c1ccn(C)n1 ZINC000658338796 411345941 /nfs/dbraw/zinc/34/59/41/411345941.db2.gz LRSJWFRUKNCDGN-NXEZZACHSA-N 1 2 233.319 1.565 20 0 BDADLO CC1(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336409428 168017653 /nfs/dbraw/zinc/01/76/53/168017653.db2.gz PVGLQJQAKRFVIR-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nccn2C)nn1C ZINC000658338763 411346100 /nfs/dbraw/zinc/34/61/00/411346100.db2.gz KUPSOWFCTZJMFV-WDEREUQCSA-N 1 2 247.346 1.874 20 0 BDADLO Cc1cc([C@H](C)N[C@H](C)c2[nH+]ccn2C)nn1C ZINC000658338763 411346101 /nfs/dbraw/zinc/34/61/01/411346101.db2.gz KUPSOWFCTZJMFV-WDEREUQCSA-N 1 2 247.346 1.874 20 0 BDADLO CC1(CCNc2cc[nH+]c(C3CC3)n2)OCCO1 ZINC000302155365 168022503 /nfs/dbraw/zinc/02/25/03/168022503.db2.gz MIQSNUWOSHHZOR-UHFFFAOYSA-N 1 2 249.314 1.919 20 0 BDADLO CC1(C)COCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000659856516 411346639 /nfs/dbraw/zinc/34/66/39/411346639.db2.gz ATZSJOJZACQMHU-SECBINFHSA-N 1 2 235.274 1.521 20 0 BDADLO CC1(C)COCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000659856516 411346644 /nfs/dbraw/zinc/34/66/44/411346644.db2.gz ATZSJOJZACQMHU-SECBINFHSA-N 1 2 235.274 1.521 20 0 BDADLO CC1(CNC(=O)c2ccc3[nH+]ccn3c2)COC1 ZINC000172000439 168038121 /nfs/dbraw/zinc/03/81/21/168038121.db2.gz HZLMLTXBBKULBI-UHFFFAOYSA-N 1 2 245.282 1.101 20 0 BDADLO CC1=CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000280898209 168098101 /nfs/dbraw/zinc/09/81/01/168098101.db2.gz QUGKJBABMZVUTC-UHFFFAOYSA-N 1 2 237.328 1.734 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000280898209 168098103 /nfs/dbraw/zinc/09/81/03/168098103.db2.gz QUGKJBABMZVUTC-UHFFFAOYSA-N 1 2 237.328 1.734 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000373733277 168107290 /nfs/dbraw/zinc/10/72/90/168107290.db2.gz KELAGLGBWHIFQA-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO CC1=CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000373733278 168108616 /nfs/dbraw/zinc/10/86/16/168108616.db2.gz KELAGLGBWHIFQA-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO CC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC000287687487 168118172 /nfs/dbraw/zinc/11/81/72/168118172.db2.gz IMGXOPJYBAWSNL-SNVBAGLBSA-N 1 2 206.293 1.528 20 0 BDADLO CC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC000287687487 168118173 /nfs/dbraw/zinc/11/81/73/168118173.db2.gz IMGXOPJYBAWSNL-SNVBAGLBSA-N 1 2 206.293 1.528 20 0 BDADLO Cc1nc(C[N@H+](C)CCn2cccn2)c(C)o1 ZINC000659918198 411381309 /nfs/dbraw/zinc/38/13/09/411381309.db2.gz KCKJXVMEDINYAP-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO Cc1nc(C[N@@H+](C)CCn2cccn2)c(C)o1 ZINC000659918198 411381313 /nfs/dbraw/zinc/38/13/13/411381313.db2.gz KCKJXVMEDINYAP-UHFFFAOYSA-N 1 2 234.303 1.620 20 0 BDADLO CC1CC(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000333210304 168142889 /nfs/dbraw/zinc/14/28/89/168142889.db2.gz JWOKHXYERDBZDN-YIYTYNFBSA-N 1 2 248.330 1.987 20 0 BDADLO CC1CCC(NC(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000336259738 168161727 /nfs/dbraw/zinc/16/17/27/168161727.db2.gz QRWGAVGWERKESJ-CXQJBGSLSA-N 1 2 242.338 1.725 20 0 BDADLO CC1CCC(NC(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000336259738 168161732 /nfs/dbraw/zinc/16/17/32/168161732.db2.gz QRWGAVGWERKESJ-CXQJBGSLSA-N 1 2 242.338 1.725 20 0 BDADLO CC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043311704 168173167 /nfs/dbraw/zinc/17/31/67/168173167.db2.gz KWZJHZBUSAWKBR-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555510 168218857 /nfs/dbraw/zinc/21/88/57/168218857.db2.gz CWDZCIIGEAPLLQ-VIFPVBQESA-N 1 2 207.277 1.526 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000659933565 411386035 /nfs/dbraw/zinc/38/60/35/411386035.db2.gz HMBZPHIFLQTQKR-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000659933565 411386037 /nfs/dbraw/zinc/38/60/37/411386037.db2.gz HMBZPHIFLQTQKR-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO CCC(C)(CC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279500072 168309008 /nfs/dbraw/zinc/30/90/08/168309008.db2.gz SNCVYYWNHYGIQP-UHFFFAOYSA-N 1 2 223.320 1.956 20 0 BDADLO CCC(C)(CC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279500072 168309009 /nfs/dbraw/zinc/30/90/09/168309009.db2.gz SNCVYYWNHYGIQP-UHFFFAOYSA-N 1 2 223.320 1.956 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CC2(C)C)n1 ZINC000657325285 411464463 /nfs/dbraw/zinc/46/44/63/411464463.db2.gz CRQUVWQNPLHVDC-MRVPVSSYSA-N 1 2 223.324 1.316 20 0 BDADLO CC1CCN(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000657028556 411395100 /nfs/dbraw/zinc/39/51/00/411395100.db2.gz SCXTZKQMNKQFCM-UHFFFAOYSA-N 1 2 236.319 1.693 20 0 BDADLO CC1CCN(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000657028556 411395103 /nfs/dbraw/zinc/39/51/03/411395103.db2.gz SCXTZKQMNKQFCM-UHFFFAOYSA-N 1 2 236.319 1.693 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)n1 ZINC000659814249 411461551 /nfs/dbraw/zinc/46/15/51/411461551.db2.gz PDKGCXWQDMUHTG-PHIMTYICSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)n1 ZINC000659814249 411461553 /nfs/dbraw/zinc/46/15/53/411461553.db2.gz PDKGCXWQDMUHTG-PHIMTYICSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cccnc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654522010 411408238 /nfs/dbraw/zinc/40/82/38/411408238.db2.gz CZEKTPCYSXGQAO-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO Cc1cccnc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654522010 411408239 /nfs/dbraw/zinc/40/82/39/411408239.db2.gz CZEKTPCYSXGQAO-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO COC(=O)CCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000265323528 411415918 /nfs/dbraw/zinc/41/59/18/411415918.db2.gz LGYJUXMKZQEKSV-UHFFFAOYSA-N 1 2 241.291 1.156 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCCC(F)(F)C1 ZINC000405087802 411416984 /nfs/dbraw/zinc/41/69/84/411416984.db2.gz UIYRDRCBRWWYIX-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCCC(F)(F)C1 ZINC000405087802 411416987 /nfs/dbraw/zinc/41/69/87/411416987.db2.gz UIYRDRCBRWWYIX-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000654598965 411416995 /nfs/dbraw/zinc/41/69/95/411416995.db2.gz LOBMOVNCBZCDJU-UWVGGRQHSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000654598965 411416998 /nfs/dbraw/zinc/41/69/98/411416998.db2.gz LOBMOVNCBZCDJU-UWVGGRQHSA-N 1 2 235.331 1.751 20 0 BDADLO Nc1[nH+]cnc(N2CCCC(F)(F)C2)c1Cl ZINC000405091645 411417108 /nfs/dbraw/zinc/41/71/08/411417108.db2.gz NHTFIPOTSDSNFG-UHFFFAOYSA-N 1 2 248.664 1.948 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000657209123 411418558 /nfs/dbraw/zinc/41/85/58/411418558.db2.gz UQJKDNLRCCZQCT-ZJUUUORDSA-N 1 2 224.329 1.754 20 0 BDADLO c1csc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000657209123 411418559 /nfs/dbraw/zinc/41/85/59/411418559.db2.gz UQJKDNLRCCZQCT-ZJUUUORDSA-N 1 2 224.329 1.754 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000270684530 411428241 /nfs/dbraw/zinc/42/82/41/411428241.db2.gz ZHFFACAWYFMUFD-SECBINFHSA-N 1 2 224.304 1.755 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000270684530 411428243 /nfs/dbraw/zinc/42/82/43/411428243.db2.gz ZHFFACAWYFMUFD-SECBINFHSA-N 1 2 224.304 1.755 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1F ZINC000271156018 411428390 /nfs/dbraw/zinc/42/83/90/411428390.db2.gz DEGRKFSXVCYYKN-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1F ZINC000271156018 411428393 /nfs/dbraw/zinc/42/83/93/411428393.db2.gz DEGRKFSXVCYYKN-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000654705918 411433748 /nfs/dbraw/zinc/43/37/48/411433748.db2.gz RZRWASKYZDQAHX-ZWNOBZJWSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000654705918 411433750 /nfs/dbraw/zinc/43/37/50/411433750.db2.gz RZRWASKYZDQAHX-ZWNOBZJWSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1O)[NH+](C)C ZINC000654706306 411434066 /nfs/dbraw/zinc/43/40/66/411434066.db2.gz WSARTXWIXZXMIB-LURJTMIESA-N 1 2 244.241 1.559 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609327 411439165 /nfs/dbraw/zinc/43/91/65/411439165.db2.gz HXLLCXOICBSWAN-UTLUCORTSA-N 1 2 238.310 1.800 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609327 411439167 /nfs/dbraw/zinc/43/91/67/411439167.db2.gz HXLLCXOICBSWAN-UTLUCORTSA-N 1 2 238.310 1.800 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000654759279 411440239 /nfs/dbraw/zinc/44/02/39/411440239.db2.gz PQJZRDBYWYOJJI-UHFFFAOYSA-N 1 2 235.243 1.284 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CC1(C)C)c1[nH+]ccn1C ZINC000660372885 411442396 /nfs/dbraw/zinc/44/23/96/411442396.db2.gz IIGODWMVCSOSQG-RKDXNWHRSA-N 1 2 236.319 1.579 20 0 BDADLO CCc1nocc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000659831502 411467760 /nfs/dbraw/zinc/46/77/60/411467760.db2.gz RWGYOSOLPUXXLX-NSHDSACASA-N 1 2 237.303 1.077 20 0 BDADLO CCc1nocc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000659831502 411467763 /nfs/dbraw/zinc/46/77/63/411467763.db2.gz RWGYOSOLPUXXLX-NSHDSACASA-N 1 2 237.303 1.077 20 0 BDADLO Cc1cc(C[N@H+](C)CCO[C@H]2CC2(F)F)no1 ZINC000659837804 411471218 /nfs/dbraw/zinc/47/12/18/411471218.db2.gz JBGGJPLFUWHETQ-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cc(C[N@@H+](C)CCO[C@H]2CC2(F)F)no1 ZINC000659837804 411471219 /nfs/dbraw/zinc/47/12/19/411471219.db2.gz JBGGJPLFUWHETQ-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO CCn1ccc(CNCc2[nH]cc(C)[nH+]2)n1 ZINC000657490191 411533639 /nfs/dbraw/zinc/53/36/39/411533639.db2.gz FTIOHJIBKHWLJP-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1CCc1cnn[nH]1 ZINC000659906226 411493868 /nfs/dbraw/zinc/49/38/68/411493868.db2.gz GWOSHUQIHJZYDE-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1CCc1cnn[nH]1 ZINC000659906226 411493871 /nfs/dbraw/zinc/49/38/71/411493871.db2.gz GWOSHUQIHJZYDE-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)C1CCCC1 ZINC000655106870 411496072 /nfs/dbraw/zinc/49/60/72/411496072.db2.gz VPAPXFWXTNCFSL-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)CC(F)F ZINC000655126426 411500023 /nfs/dbraw/zinc/50/00/23/411500023.db2.gz QACYLYUIGCWHTB-QMMMGPOBSA-N 1 2 245.273 1.811 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](CCO)c2ccco2)n1 ZINC000657436584 411509457 /nfs/dbraw/zinc/50/94/57/411509457.db2.gz DPUIODKLKAJDCX-SNVBAGLBSA-N 1 2 235.287 1.524 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@@H+]1CCc1cnn[nH]1 ZINC000659956377 411510937 /nfs/dbraw/zinc/51/09/37/411510937.db2.gz YJKIKBDSSIXPIJ-NSHDSACASA-N 1 2 242.326 1.794 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@H+]1CCc1cnn[nH]1 ZINC000659956377 411510938 /nfs/dbraw/zinc/51/09/38/411510938.db2.gz YJKIKBDSSIXPIJ-NSHDSACASA-N 1 2 242.326 1.794 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CC[C@@H](C)O)[nH]1 ZINC000659957132 411512380 /nfs/dbraw/zinc/51/23/80/411512380.db2.gz PMJRUOXDCATSEV-RKDXNWHRSA-N 1 2 226.324 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CC[C@@H](C)O)[nH]1 ZINC000659957132 411512382 /nfs/dbraw/zinc/51/23/82/411512382.db2.gz PMJRUOXDCATSEV-RKDXNWHRSA-N 1 2 226.324 1.131 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]Cc2cnn3c2CCC3)o1 ZINC000657458448 411517895 /nfs/dbraw/zinc/51/78/95/411517895.db2.gz LLCDMNRNQOUWJX-JTQLQIEISA-N 1 2 246.314 1.977 20 0 BDADLO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccn[nH]1 ZINC000655844194 411534981 /nfs/dbraw/zinc/53/49/81/411534981.db2.gz POAHHRUYHQTACR-JTQLQIEISA-N 1 2 216.288 1.526 20 0 BDADLO CCC1(CC)CC[N@H+](CCc2cnn[nH]2)C1 ZINC000659998100 411524303 /nfs/dbraw/zinc/52/43/03/411524303.db2.gz XLJWALCFKMMPSY-UHFFFAOYSA-N 1 2 222.336 1.859 20 0 BDADLO CCC1(CC)CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659998100 411524306 /nfs/dbraw/zinc/52/43/06/411524306.db2.gz XLJWALCFKMMPSY-UHFFFAOYSA-N 1 2 222.336 1.859 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn2c1CCC2)C(F)F ZINC000657476824 411524848 /nfs/dbraw/zinc/52/48/48/411524848.db2.gz NJKRDEFMXZXZPC-SECBINFHSA-N 1 2 229.274 1.963 20 0 BDADLO FC(F)(F)c1nnc(Cn2cc[nH+]c2)s1 ZINC000660023612 411529600 /nfs/dbraw/zinc/52/96/00/411529600.db2.gz HXYIYMDXTZPBQH-UHFFFAOYSA-N 1 2 234.206 1.802 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC[C@H](C)CO)[C@@H](C)C1 ZINC000309643897 170035555 /nfs/dbraw/zinc/03/55/55/170035555.db2.gz LMRSKRJXDLCCEU-AVGNSLFASA-N 1 2 228.380 1.325 20 0 BDADLO CCNC(=O)C[N@H+](C)CCC(F)(F)F ZINC000101731252 170054506 /nfs/dbraw/zinc/05/45/06/170054506.db2.gz RHFGVGRDTLXRNV-UHFFFAOYSA-N 1 2 212.215 1.007 20 0 BDADLO CCNC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000101731252 170054507 /nfs/dbraw/zinc/05/45/07/170054507.db2.gz RHFGVGRDTLXRNV-UHFFFAOYSA-N 1 2 212.215 1.007 20 0 BDADLO CCNC(=O)CN(CC)c1cc[nH+]c(C2CC2)n1 ZINC000267733933 170057025 /nfs/dbraw/zinc/05/70/25/170057025.db2.gz DJYBIGGNMZMQDS-UHFFFAOYSA-N 1 2 248.330 1.316 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2ncc[nH]2)n1 ZINC000660140979 411543729 /nfs/dbraw/zinc/54/37/29/411543729.db2.gz CNIQUPCMNOMPAI-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2ncc[nH]2)n1 ZINC000660140979 411543731 /nfs/dbraw/zinc/54/37/31/411543731.db2.gz CNIQUPCMNOMPAI-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1cc(C)n(CCN(C)Cc2[nH]cc[nH+]2)n1 ZINC000660140979 411543732 /nfs/dbraw/zinc/54/37/32/411543732.db2.gz CNIQUPCMNOMPAI-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO CCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106509519 170073603 /nfs/dbraw/zinc/07/36/03/170073603.db2.gz IHVWIHKLYBVGKN-VIFPVBQESA-N 1 2 222.292 1.666 20 0 BDADLO CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119048501 170074043 /nfs/dbraw/zinc/07/40/43/170074043.db2.gz KPEKECOEMIPFKM-MNOVXSKESA-N 1 2 236.319 1.496 20 0 BDADLO Cc1nocc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000660137262 411544339 /nfs/dbraw/zinc/54/43/39/411544339.db2.gz PYRNBPJZHNGIPP-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1nocc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000660137262 411544340 /nfs/dbraw/zinc/54/43/40/411544340.db2.gz PYRNBPJZHNGIPP-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO C[N@H+](CCOC[C@H]1CCCO1)Cc1ncc[nH]1 ZINC000660143270 411544398 /nfs/dbraw/zinc/54/43/98/411544398.db2.gz OXDPWYYCFHAYBU-LLVKDONJSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC[C@H]1CCCO1)Cc1ncc[nH]1 ZINC000660143270 411544401 /nfs/dbraw/zinc/54/44/01/411544401.db2.gz OXDPWYYCFHAYBU-LLVKDONJSA-N 1 2 239.319 1.037 20 0 BDADLO CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352754250 170084526 /nfs/dbraw/zinc/08/45/26/170084526.db2.gz SNZZLZNUQCGTAL-UHFFFAOYSA-N 1 2 245.286 1.468 20 0 BDADLO CCNC(=O)[C@@H]([NH2+]Cc1cscn1)C(C)C ZINC000293399719 170091956 /nfs/dbraw/zinc/09/19/56/170091956.db2.gz XWIMXJQKXWVALQ-JTQLQIEISA-N 1 2 241.360 1.393 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2cnccn2)co1 ZINC000660166323 411550909 /nfs/dbraw/zinc/55/09/09/411550909.db2.gz ODSNNUFMRAFVBG-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2cnccn2)co1 ZINC000660166323 411550910 /nfs/dbraw/zinc/55/09/10/411550910.db2.gz ODSNNUFMRAFVBG-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1cnccc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657568756 411553564 /nfs/dbraw/zinc/55/35/64/411553564.db2.gz JITXRZQYMUGNRO-JQWIXIFHSA-N 1 2 243.314 1.777 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCCCO2)n1 ZINC000051860484 170131537 /nfs/dbraw/zinc/13/15/37/170131537.db2.gz PTWFDGCWMUVOPM-QMMMGPOBSA-N 1 2 211.265 1.421 20 0 BDADLO CCc1nnc(CN(C)Cc2[nH]cc[nH+]2)s1 ZINC000660143622 411544731 /nfs/dbraw/zinc/54/47/31/411544731.db2.gz XWNBRKFIDMHIAN-UHFFFAOYSA-N 1 2 237.332 1.456 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000660142172 411544854 /nfs/dbraw/zinc/54/48/54/411544854.db2.gz PWDPXSGOBVIJHV-JTQLQIEISA-N 1 2 209.293 1.267 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000660142172 411544855 /nfs/dbraw/zinc/54/48/55/411544855.db2.gz PWDPXSGOBVIJHV-JTQLQIEISA-N 1 2 209.293 1.267 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC(C)(C)O ZINC000336755060 170187088 /nfs/dbraw/zinc/18/70/88/170187088.db2.gz HZDGUPHOYZOPHE-UHFFFAOYSA-N 1 2 217.309 1.079 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)CCC(C)C ZINC000361261082 170187729 /nfs/dbraw/zinc/18/77/29/170187729.db2.gz DCDGXHNNHMEYQX-LLVKDONJSA-N 1 2 245.363 1.715 20 0 BDADLO CCOC(=O)C1CC[NH+](Cc2cocn2)CC1 ZINC000191919680 170192750 /nfs/dbraw/zinc/19/27/50/170192750.db2.gz SIKRFJLYSYJYGG-UHFFFAOYSA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nccs1 ZINC000093097830 170204231 /nfs/dbraw/zinc/20/42/31/170204231.db2.gz BGKJTEBRCMZIFT-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nccs1 ZINC000093097830 170204233 /nfs/dbraw/zinc/20/42/33/170204233.db2.gz BGKJTEBRCMZIFT-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1cccs1 ZINC000070165762 170214399 /nfs/dbraw/zinc/21/43/99/170214399.db2.gz KOGKBNSGXOWGNB-UHFFFAOYSA-N 1 2 227.329 1.786 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1cccs1 ZINC000070165762 170214400 /nfs/dbraw/zinc/21/44/00/170214400.db2.gz KOGKBNSGXOWGNB-UHFFFAOYSA-N 1 2 227.329 1.786 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000341896188 170215908 /nfs/dbraw/zinc/21/59/08/170215908.db2.gz YCCWZUKIJLCLOW-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000341896188 170215909 /nfs/dbraw/zinc/21/59/09/170215909.db2.gz YCCWZUKIJLCLOW-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132481332 170221119 /nfs/dbraw/zinc/22/11/19/170221119.db2.gz MZUVAIYOPXGLOF-UHFFFAOYSA-N 1 2 225.313 1.669 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132481332 170221120 /nfs/dbraw/zinc/22/11/20/170221120.db2.gz MZUVAIYOPXGLOF-UHFFFAOYSA-N 1 2 225.313 1.669 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000337527406 170226107 /nfs/dbraw/zinc/22/61/07/170226107.db2.gz CCRZNSJXLYZUPT-SFYZADRCSA-N 1 2 237.246 1.299 20 0 BDADLO CCOC(=O)[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000302557566 170248820 /nfs/dbraw/zinc/24/88/20/170248820.db2.gz LYFHRDAPKFZHLA-UWVGGRQHSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000276218692 170249048 /nfs/dbraw/zinc/24/90/48/170249048.db2.gz XTJDJSMCJFEGCU-IUCAKERBSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCC(C)(C)O ZINC000358661408 170250306 /nfs/dbraw/zinc/25/03/06/170250306.db2.gz MHYWLVVAXALUPG-LLVKDONJSA-N 1 2 245.363 1.715 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000122437398 170258341 /nfs/dbraw/zinc/25/83/41/170258341.db2.gz QRSUMRWVRFTPOO-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000122437398 170258343 /nfs/dbraw/zinc/25/83/43/170258343.db2.gz QRSUMRWVRFTPOO-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000054462311 170258692 /nfs/dbraw/zinc/25/86/92/170258692.db2.gz CLNREMFCFPHHMK-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000054462311 170258693 /nfs/dbraw/zinc/25/86/93/170258693.db2.gz CLNREMFCFPHHMK-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000308489891 170268427 /nfs/dbraw/zinc/26/84/27/170268427.db2.gz QDTNPWFSIWBJGF-VGMNWLOBSA-N 1 2 217.334 1.279 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OCC ZINC000358793474 170268712 /nfs/dbraw/zinc/26/87/12/170268712.db2.gz VBELFJGYMUPZNK-UTLUCORTSA-N 1 2 245.319 1.115 20 0 BDADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C ZINC000076168662 170274047 /nfs/dbraw/zinc/27/40/47/170274047.db2.gz STYUZGGLUMRXBX-NSHDSACASA-N 1 2 225.263 1.519 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cn[nH]c2)co1 ZINC000660272417 411563186 /nfs/dbraw/zinc/56/31/86/411563186.db2.gz BAMCXUVZDOLQMV-ZETCQYMHSA-N 1 2 206.249 1.557 20 0 BDADLO CC(C)=CCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000660278000 411564220 /nfs/dbraw/zinc/56/42/20/411564220.db2.gz PMBAGMWCFPGVQF-UHFFFAOYSA-N 1 2 222.292 1.156 20 0 BDADLO CC(C)=CCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000660278000 411564221 /nfs/dbraw/zinc/56/42/21/411564221.db2.gz PMBAGMWCFPGVQF-UHFFFAOYSA-N 1 2 222.292 1.156 20 0 BDADLO CC(C)=CCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000660278000 411564222 /nfs/dbraw/zinc/56/42/22/411564222.db2.gz PMBAGMWCFPGVQF-UHFFFAOYSA-N 1 2 222.292 1.156 20 0 BDADLO CC(C)=CCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000660278000 411564223 /nfs/dbraw/zinc/56/42/23/411564223.db2.gz PMBAGMWCFPGVQF-UHFFFAOYSA-N 1 2 222.292 1.156 20 0 BDADLO Cc1nc(C[NH2+][C@H](CCO)c2ccco2)co1 ZINC000660296709 411565411 /nfs/dbraw/zinc/56/54/11/411565411.db2.gz FWDFCENYVNSSKT-LLVKDONJSA-N 1 2 236.271 1.789 20 0 BDADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1csnn1 ZINC000660365973 411572669 /nfs/dbraw/zinc/57/26/69/411572669.db2.gz AFZLLAIYPRMJDH-DIYOJNKTSA-N 1 2 227.333 1.272 20 0 BDADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1csnn1 ZINC000660365973 411572670 /nfs/dbraw/zinc/57/26/70/411572670.db2.gz AFZLLAIYPRMJDH-DIYOJNKTSA-N 1 2 227.333 1.272 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)on1 ZINC000660322903 411569175 /nfs/dbraw/zinc/56/91/75/411569175.db2.gz OHDLZZNXLYWSAS-LLVKDONJSA-N 1 2 238.287 1.294 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)on1 ZINC000660322903 411569177 /nfs/dbraw/zinc/56/91/77/411569177.db2.gz OHDLZZNXLYWSAS-LLVKDONJSA-N 1 2 238.287 1.294 20 0 BDADLO CCOCC[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000127392722 170388086 /nfs/dbraw/zinc/38/80/86/170388086.db2.gz JHEPSXUFOQSNAZ-UHFFFAOYSA-N 1 2 238.331 1.783 20 0 BDADLO CCOCC[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000127392722 170388087 /nfs/dbraw/zinc/38/80/87/170388087.db2.gz JHEPSXUFOQSNAZ-UHFFFAOYSA-N 1 2 238.331 1.783 20 0 BDADLO CCOCCN(CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284037687 170392603 /nfs/dbraw/zinc/39/26/03/170392603.db2.gz PSCBWGHFBZDALU-AATRIKPKSA-N 1 2 237.303 1.308 20 0 BDADLO CCOCC[N@H+](CC)Cc1nccc(C)n1 ZINC000339661094 170395637 /nfs/dbraw/zinc/39/56/37/170395637.db2.gz QFWFSUCQCDEUTG-UHFFFAOYSA-N 1 2 223.320 1.643 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nccc(C)n1 ZINC000339661094 170395638 /nfs/dbraw/zinc/39/56/38/170395638.db2.gz QFWFSUCQCDEUTG-UHFFFAOYSA-N 1 2 223.320 1.643 20 0 BDADLO CCOCC[N@H+](CC)Cc1nnc(C)s1 ZINC000358503239 170396092 /nfs/dbraw/zinc/39/60/92/170396092.db2.gz YBXUZTXPERSMTR-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nnc(C)s1 ZINC000358503239 170396093 /nfs/dbraw/zinc/39/60/93/170396093.db2.gz YBXUZTXPERSMTR-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO CCOCC[N@H+](CC)Cc1nnc(CC)o1 ZINC000107679581 170396400 /nfs/dbraw/zinc/39/64/00/170396400.db2.gz RMQUCNWBQBOPFR-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nnc(CC)o1 ZINC000107679581 170396402 /nfs/dbraw/zinc/39/64/02/170396402.db2.gz RMQUCNWBQBOPFR-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCNc1nccnc1N(C)Cc1[nH+]ccn1C ZINC000663350730 411635615 /nfs/dbraw/zinc/63/56/15/411635615.db2.gz GERSVJLEVMXWBA-UHFFFAOYSA-N 1 2 246.318 1.278 20 0 BDADLO CC[C@@H](CC(F)F)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844859 411641004 /nfs/dbraw/zinc/64/10/04/411641004.db2.gz WCFWGCYLYIBCHE-ZETCQYMHSA-N 1 2 249.261 1.888 20 0 BDADLO CC[C@@H](CC(F)F)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844859 411641009 /nfs/dbraw/zinc/64/10/09/411641009.db2.gz WCFWGCYLYIBCHE-ZETCQYMHSA-N 1 2 249.261 1.888 20 0 BDADLO Cc1ccc(NC[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000663393555 411645507 /nfs/dbraw/zinc/64/55/07/411645507.db2.gz FXTVGQOHRKBORJ-JTQLQIEISA-N 1 2 231.303 1.730 20 0 BDADLO c1c[nH+]c(CNc2ccn(C3CCOCC3)n2)[nH]1 ZINC000657683383 411578788 /nfs/dbraw/zinc/57/87/88/411578788.db2.gz JFDORQUDEZTECY-UHFFFAOYSA-N 1 2 247.302 1.570 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000660423429 411583747 /nfs/dbraw/zinc/58/37/47/411583747.db2.gz PWXBONCQLHAJJC-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000660423429 411583748 /nfs/dbraw/zinc/58/37/48/411583748.db2.gz PWXBONCQLHAJJC-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO CC1(C)[C@H](C[NH2+]Cc2ccn[nH]2)C1(F)F ZINC000657738938 411588647 /nfs/dbraw/zinc/58/86/47/411588647.db2.gz UVLHFCFPTHZCLP-QMMMGPOBSA-N 1 2 215.247 1.791 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000657734255 411589552 /nfs/dbraw/zinc/58/95/52/411589552.db2.gz IUVWKBMGFUSULB-DOFRTFSJSA-N 1 2 235.335 1.316 20 0 BDADLO c1cc([C@@H]2CCCC[N@H+]2CCc2c[nH]nn2)n[nH]1 ZINC000660534646 411596199 /nfs/dbraw/zinc/59/61/99/411596199.db2.gz GGHQQDHOGSSOHA-LBPRGKRZSA-N 1 2 246.318 1.298 20 0 BDADLO c1cc([C@@H]2CCCC[N@@H+]2CCc2c[nH]nn2)n[nH]1 ZINC000660534646 411596200 /nfs/dbraw/zinc/59/62/00/411596200.db2.gz GGHQQDHOGSSOHA-LBPRGKRZSA-N 1 2 246.318 1.298 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1nccn1C ZINC000657794074 411598655 /nfs/dbraw/zinc/59/86/55/411598655.db2.gz NUEGZGQEDKALDP-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO COc1ncncc1C[NH2+][C@@H](C)c1nccn1C ZINC000657793893 411598830 /nfs/dbraw/zinc/59/88/30/411598830.db2.gz QZXYKPGORGQKLG-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ncncc1CN[C@@H](C)c1[nH+]ccn1C ZINC000657793893 411598833 /nfs/dbraw/zinc/59/88/33/411598833.db2.gz QZXYKPGORGQKLG-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@@](CO)([NH2+]Cc1cc[nH]n1)c1cccc(O)c1 ZINC000660561083 411600343 /nfs/dbraw/zinc/60/03/43/411600343.db2.gz PZIJBPNICJADOS-ZDUSSCGKSA-N 1 2 247.298 1.113 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000657818489 411606040 /nfs/dbraw/zinc/60/60/40/411606040.db2.gz QUDQHVNJIUDJDJ-GWCFXTLKSA-N 1 2 246.314 1.027 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000657818495 411606174 /nfs/dbraw/zinc/60/61/74/411606174.db2.gz QUDQHVNJIUDJDJ-MFKMUULPSA-N 1 2 246.314 1.027 20 0 BDADLO Cc1ccoc1C[N@@H+](C)Cc1cn(C)cn1 ZINC000660614528 411606980 /nfs/dbraw/zinc/60/69/80/411606980.db2.gz MMHVUSWXOLEYCX-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccoc1C[N@H+](C)Cc1cn(C)cn1 ZINC000660614528 411606982 /nfs/dbraw/zinc/60/69/82/411606982.db2.gz MMHVUSWXOLEYCX-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccoc1CN(C)Cc1cn(C)c[nH+]1 ZINC000660614528 411606983 /nfs/dbraw/zinc/60/69/83/411606983.db2.gz MMHVUSWXOLEYCX-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000657821650 411607900 /nfs/dbraw/zinc/60/79/00/411607900.db2.gz YPVUSTKBJQSJQN-GXFFZTMASA-N 1 2 232.283 1.886 20 0 BDADLO Cc1ccc(NCc2ccc[nH+]c2N(C)C)nn1 ZINC000663388993 411646183 /nfs/dbraw/zinc/64/61/83/411646183.db2.gz DQXUREGLFVGOLN-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CCc1nocc1C[N@H+]1CCN(C)C[C@H]1CC ZINC000660645055 411611973 /nfs/dbraw/zinc/61/19/73/411611973.db2.gz RDTDFTVJADQPQW-GFCCVEGCSA-N 1 2 237.347 1.763 20 0 BDADLO CCc1nocc1C[N@@H+]1CCN(C)C[C@H]1CC ZINC000660645055 411611974 /nfs/dbraw/zinc/61/19/74/411611974.db2.gz RDTDFTVJADQPQW-GFCCVEGCSA-N 1 2 237.347 1.763 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660647569 411612380 /nfs/dbraw/zinc/61/23/80/411612380.db2.gz FWEYEXLCPVDCMT-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@H]1COCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660647569 411612381 /nfs/dbraw/zinc/61/23/81/411612381.db2.gz FWEYEXLCPVDCMT-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@@H]1C[N@H+](CCOCc2ccccc2)CC(=O)N1 ZINC000660724765 411619332 /nfs/dbraw/zinc/61/93/32/411619332.db2.gz GYQCTNCVXDTSQY-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCc2ccccc2)CC(=O)N1 ZINC000660724765 411619333 /nfs/dbraw/zinc/61/93/33/411619333.db2.gz GYQCTNCVXDTSQY-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO CC[C@@H](C)[N@H+](CC)Cc1noc(COC)n1 ZINC000661104421 411709200 /nfs/dbraw/zinc/70/92/00/411709200.db2.gz MPWJOJYJFGHHPG-SECBINFHSA-N 1 2 227.308 1.836 20 0 BDADLO CC[C@@H](C)[N@@H+](CC)Cc1noc(COC)n1 ZINC000661104421 411709205 /nfs/dbraw/zinc/70/92/05/411709205.db2.gz MPWJOJYJFGHHPG-SECBINFHSA-N 1 2 227.308 1.836 20 0 BDADLO Cc1cc(NCc2cccc(CO)n2)nc[nH+]1 ZINC000631335267 411654959 /nfs/dbraw/zinc/65/49/59/411654959.db2.gz QRYLGFTWBWXUSU-UHFFFAOYSA-N 1 2 230.271 1.284 20 0 BDADLO CC/C=C/CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845220 411657516 /nfs/dbraw/zinc/65/75/16/411657516.db2.gz LWQGWGFCTWBRSQ-SNAWJCMRSA-N 1 2 211.265 1.563 20 0 BDADLO CC/C=C/CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845220 411657518 /nfs/dbraw/zinc/65/75/18/411657518.db2.gz LWQGWGFCTWBRSQ-SNAWJCMRSA-N 1 2 211.265 1.563 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000660900024 411665509 /nfs/dbraw/zinc/66/55/09/411665509.db2.gz FXWGXALVVFMGKX-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660900024 411665511 /nfs/dbraw/zinc/66/55/11/411665511.db2.gz FXWGXALVVFMGKX-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccnn1CC ZINC000663468443 411666484 /nfs/dbraw/zinc/66/64/84/411666484.db2.gz DJFBFHRGLMRUJD-LLVKDONJSA-N 1 2 247.346 1.970 20 0 BDADLO CCc1cnc(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000661085442 411696876 /nfs/dbraw/zinc/69/68/76/411696876.db2.gz MNDRYDJFYGYYNC-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCc1cnc(CN(C)Cc2c[nH]c[nH+]2)o1 ZINC000661085442 411696880 /nfs/dbraw/zinc/69/68/80/411696880.db2.gz MNDRYDJFYGYYNC-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1cnc[nH]1 ZINC000661086502 411697327 /nfs/dbraw/zinc/69/73/27/411697327.db2.gz AKTKVALLSFOHMA-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1cnc[nH]1 ZINC000661086502 411697331 /nfs/dbraw/zinc/69/73/31/411697331.db2.gz AKTKVALLSFOHMA-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1c[nH]cn1 ZINC000661086502 411697334 /nfs/dbraw/zinc/69/73/34/411697334.db2.gz AKTKVALLSFOHMA-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1c[nH]cn1 ZINC000661086502 411697339 /nfs/dbraw/zinc/69/73/39/411697339.db2.gz AKTKVALLSFOHMA-UHFFFAOYSA-N 1 2 225.336 1.904 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH+]c[nH]2)s1 ZINC000661089056 411698837 /nfs/dbraw/zinc/69/88/37/411698837.db2.gz VTQNBDQMNMIEJQ-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH]c[nH+]2)s1 ZINC000661089056 411698840 /nfs/dbraw/zinc/69/88/40/411698840.db2.gz VTQNBDQMNMIEJQ-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c[nH]2)ncn1 ZINC000661089491 411699473 /nfs/dbraw/zinc/69/94/73/411699473.db2.gz AZCIQEPJDZWATQ-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH]c[nH+]2)ncn1 ZINC000661089491 411699476 /nfs/dbraw/zinc/69/94/76/411699476.db2.gz AZCIQEPJDZWATQ-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH+]c[nH]2)nc1 ZINC000661088765 411699565 /nfs/dbraw/zinc/69/95/65/411699565.db2.gz OEVFCZCXTDFOBD-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1cnc(CN(C)Cc2c[nH]c[nH+]2)nc1 ZINC000661088765 411699569 /nfs/dbraw/zinc/69/95/69/411699569.db2.gz OEVFCZCXTDFOBD-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO C[N@H+](CCO[C@H]1CCCCO1)Cc1cnc[nH]1 ZINC000661089058 411700037 /nfs/dbraw/zinc/70/00/37/411700037.db2.gz VZJCVPNHPUWIPQ-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@H]1CCCCO1)Cc1cnc[nH]1 ZINC000661089058 411700041 /nfs/dbraw/zinc/70/00/41/411700041.db2.gz VZJCVPNHPUWIPQ-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@H+](CCO[C@H]1CCCCO1)Cc1c[nH]cn1 ZINC000661089058 411700044 /nfs/dbraw/zinc/70/00/44/411700044.db2.gz VZJCVPNHPUWIPQ-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@H]1CCCCO1)Cc1c[nH]cn1 ZINC000661089058 411700046 /nfs/dbraw/zinc/70/00/46/411700046.db2.gz VZJCVPNHPUWIPQ-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509403 411791603 /nfs/dbraw/zinc/79/16/03/411791603.db2.gz CDOOTMBRCTZKKI-VXGBXAGGSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509403 411791609 /nfs/dbraw/zinc/79/16/09/411791609.db2.gz CDOOTMBRCTZKKI-VXGBXAGGSA-N 1 2 236.290 1.836 20 0 BDADLO CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000663912799 411771642 /nfs/dbraw/zinc/77/16/42/411771642.db2.gz BVJBFOXORNLLQK-NSHDSACASA-N 1 2 234.303 1.065 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccno1 ZINC000661471217 411784644 /nfs/dbraw/zinc/78/46/44/411784644.db2.gz ZADZQHVAIIWOKN-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccno1 ZINC000661471217 411784647 /nfs/dbraw/zinc/78/46/47/411784647.db2.gz ZADZQHVAIIWOKN-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO Cc1cn(C)nc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636231127 411726826 /nfs/dbraw/zinc/72/68/26/411726826.db2.gz ZGKLWQKWSRUFHG-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO Cc1cn(C)nc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636231127 411726828 /nfs/dbraw/zinc/72/68/28/411726828.db2.gz ZGKLWQKWSRUFHG-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661511259 411794432 /nfs/dbraw/zinc/79/44/32/411794432.db2.gz KNWYFZKXJCSYBE-OLZOCXBDSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661511259 411794434 /nfs/dbraw/zinc/79/44/34/411794434.db2.gz KNWYFZKXJCSYBE-OLZOCXBDSA-N 1 2 248.301 1.803 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]1c1ccc(F)cc1)NC1CC1 ZINC000661512223 411794925 /nfs/dbraw/zinc/79/49/25/411794925.db2.gz BOUPICKOSMXJFJ-CYBMUJFWSA-N 1 2 248.301 1.851 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)NC1CC1 ZINC000661512223 411794927 /nfs/dbraw/zinc/79/49/27/411794927.db2.gz BOUPICKOSMXJFJ-CYBMUJFWSA-N 1 2 248.301 1.851 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2C=CCCC2)o1 ZINC000661531768 411797838 /nfs/dbraw/zinc/79/78/38/411797838.db2.gz NAXIPRJCDRFCPY-SNVBAGLBSA-N 1 2 207.277 1.919 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2C=CCCC2)o1 ZINC000661531768 411797841 /nfs/dbraw/zinc/79/78/41/411797841.db2.gz NAXIPRJCDRFCPY-SNVBAGLBSA-N 1 2 207.277 1.919 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cnccn2)c2[nH+]ccn21 ZINC000663975732 411797997 /nfs/dbraw/zinc/79/79/97/411797997.db2.gz UGXITOBKHCWYRS-RKDXNWHRSA-N 1 2 215.260 1.791 20 0 BDADLO C[C@H](c1cnccn1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545031 411799915 /nfs/dbraw/zinc/79/99/15/411799915.db2.gz OQPWSUCACYXIOM-GMTAPVOTSA-N 1 2 233.315 1.695 20 0 BDADLO COc1ccc(CNc2cc[nH+]c(C)n2)nn1 ZINC000663983071 411801178 /nfs/dbraw/zinc/80/11/78/411801178.db2.gz CMWVFDAQLKZWQL-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BDADLO Cc1nnc(NCC(C)(C)n2cc[nH+]c2)nc1C ZINC000631368732 411801619 /nfs/dbraw/zinc/80/16/19/411801619.db2.gz RDWKBLIETMJPFC-UHFFFAOYSA-N 1 2 246.318 1.532 20 0 BDADLO CC[C@@]1(C)CC(=O)N(CCc2c[nH+]cn2C)C1=O ZINC000663998409 411808204 /nfs/dbraw/zinc/80/82/04/411808204.db2.gz CBGIFNWYUORQLV-ZDUSSCGKSA-N 1 2 249.314 1.138 20 0 BDADLO CO[C@H](COc1cc[nH+]cc1)[C@@H]1CCOC1 ZINC000664016497 411814168 /nfs/dbraw/zinc/81/41/68/411814168.db2.gz PPKXKINAQHCPQZ-ZYHUDNBSSA-N 1 2 223.272 1.512 20 0 BDADLO O=C1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)CCN1 ZINC000664026507 411817606 /nfs/dbraw/zinc/81/76/06/411817606.db2.gz NKJVFJGJFVVZGF-SNVBAGLBSA-N 1 2 246.314 1.435 20 0 BDADLO CCc1ncn(Cc2ccc(C)[nH+]c2C)n1 ZINC000664041064 411823788 /nfs/dbraw/zinc/82/37/88/411823788.db2.gz DAWLFFJKAAVINO-UHFFFAOYSA-N 1 2 216.288 1.901 20 0 BDADLO Nc1[nH+]cccc1CN1C(=O)CC2(CCC2)C1=O ZINC000664043522 411825745 /nfs/dbraw/zinc/82/57/45/411825745.db2.gz MFMCUCZEIHIATB-UHFFFAOYSA-N 1 2 245.282 1.093 20 0 BDADLO COCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046630 411827382 /nfs/dbraw/zinc/82/73/82/411827382.db2.gz JGWFXRBGXWWLCP-UHFFFAOYSA-N 1 2 220.272 1.907 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)CC1=CCCOC1 ZINC000661651545 411827812 /nfs/dbraw/zinc/82/78/12/411827812.db2.gz AIOSXACASKEGPE-SECBINFHSA-N 1 2 239.344 1.878 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)CC1=CCCOC1 ZINC000661651545 411827816 /nfs/dbraw/zinc/82/78/16/411827816.db2.gz AIOSXACASKEGPE-SECBINFHSA-N 1 2 239.344 1.878 20 0 BDADLO CC[C@@H](C)CCNc1nc[nH+]c(N)c1OC ZINC000664229410 411890786 /nfs/dbraw/zinc/89/07/86/411890786.db2.gz WZZJTCHNFXWTOX-MRVPVSSYSA-N 1 2 224.308 1.916 20 0 BDADLO CC[C@@H](C)CCNc1[nH+]cnc(N)c1OC ZINC000664229410 411890791 /nfs/dbraw/zinc/89/07/91/411890791.db2.gz WZZJTCHNFXWTOX-MRVPVSSYSA-N 1 2 224.308 1.916 20 0 BDADLO Cc1nc2[nH]ccc2c(NC/C=C/CO)[nH+]1 ZINC000664238279 411893274 /nfs/dbraw/zinc/89/32/74/411893274.db2.gz WWQDCUWOZPJXHX-NSCUHMNNSA-N 1 2 218.260 1.178 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661850512 411901688 /nfs/dbraw/zinc/90/16/88/411901688.db2.gz JKGRVVUUXWGPPW-UTLUCORTSA-N 1 2 238.335 1.673 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000661850512 411901693 /nfs/dbraw/zinc/90/16/93/411901693.db2.gz JKGRVVUUXWGPPW-UTLUCORTSA-N 1 2 238.335 1.673 20 0 BDADLO CC[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000661863873 411908518 /nfs/dbraw/zinc/90/85/18/411908518.db2.gz RLSXUJFYOILRHA-NSHDSACASA-N 1 2 236.319 1.740 20 0 BDADLO CC[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000661863873 411908523 /nfs/dbraw/zinc/90/85/23/411908523.db2.gz RLSXUJFYOILRHA-NSHDSACASA-N 1 2 236.319 1.740 20 0 BDADLO COCCN(CCF)c1cc(C)[nH+]cn1 ZINC000664305290 411916876 /nfs/dbraw/zinc/91/68/76/411916876.db2.gz COXDKEFOPMALCJ-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO Cc1nc(NCCO[C@H]2CC2(F)F)cc[nH+]1 ZINC000664310111 411919739 /nfs/dbraw/zinc/91/97/39/411919739.db2.gz ZKUXVOZSASWZTR-QMMMGPOBSA-N 1 2 229.230 1.621 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)on1 ZINC000661973609 411931071 /nfs/dbraw/zinc/93/10/71/411931071.db2.gz NWPKMEDRBOULSX-NXEZZACHSA-N 1 2 235.287 1.263 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)on1 ZINC000661973609 411931074 /nfs/dbraw/zinc/93/10/74/411931074.db2.gz NWPKMEDRBOULSX-NXEZZACHSA-N 1 2 235.287 1.263 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nccn1C ZINC000661977968 411932462 /nfs/dbraw/zinc/93/24/62/411932462.db2.gz CXRMGMCZGBQJLQ-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nccn1C ZINC000661977968 411932466 /nfs/dbraw/zinc/93/24/66/411932466.db2.gz CXRMGMCZGBQJLQ-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@H]1COC2(CCCC2)CN1Cc1[nH+]ccn1C ZINC000661977968 411932471 /nfs/dbraw/zinc/93/24/71/411932471.db2.gz CXRMGMCZGBQJLQ-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000664386522 411937805 /nfs/dbraw/zinc/93/78/05/411937805.db2.gz OYTHRAUGUQZIAA-LPEHRKFASA-N 1 2 248.330 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000664386522 411937809 /nfs/dbraw/zinc/93/78/09/411937809.db2.gz OYTHRAUGUQZIAA-LPEHRKFASA-N 1 2 248.330 1.916 20 0 BDADLO CO[C@H](CNc1cc(C)[nH+]cn1)[C@H]1CCOC1 ZINC000664160796 411875121 /nfs/dbraw/zinc/87/51/21/411875121.db2.gz DZCSJARSQSIKQW-WDEREUQCSA-N 1 2 237.303 1.248 20 0 BDADLO CCc1cc(N[C@H](CO)C2CCC2)nc[nH+]1 ZINC000664171601 411877556 /nfs/dbraw/zinc/87/75/56/411877556.db2.gz SALCGQMYZJBDGH-LLVKDONJSA-N 1 2 221.304 1.612 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000661775236 411882861 /nfs/dbraw/zinc/88/28/61/411882861.db2.gz XXUPYDRYSFDQHJ-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000661775236 411882864 /nfs/dbraw/zinc/88/28/64/411882864.db2.gz XXUPYDRYSFDQHJ-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO COCCC1CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000664193287 411884362 /nfs/dbraw/zinc/88/43/62/411884362.db2.gz IVDBPSFIIWNSAK-UHFFFAOYSA-N 1 2 235.331 1.875 20 0 BDADLO O[C@@H]1C[C@H](Nc2cccc[nH+]2)C12CCC2 ZINC000664465027 411966294 /nfs/dbraw/zinc/96/62/94/411966294.db2.gz CZQZXOYAJNDERK-VHSXEESVSA-N 1 2 204.273 1.797 20 0 BDADLO C[C@H](O)CNc1cc(NCC2=CCCC2)nc[nH+]1 ZINC000664541754 411980783 /nfs/dbraw/zinc/98/07/83/411980783.db2.gz HADCMOULOUYTAF-JTQLQIEISA-N 1 2 248.330 1.792 20 0 BDADLO C[C@H](O)CNc1cc(NCC2=CCCC2)[nH+]cn1 ZINC000664541754 411980786 /nfs/dbraw/zinc/98/07/86/411980786.db2.gz HADCMOULOUYTAF-JTQLQIEISA-N 1 2 248.330 1.792 20 0 BDADLO c1ccc(N2CC[C@H]3COC[C@H]3C2)[nH+]c1 ZINC000664554367 411984578 /nfs/dbraw/zinc/98/45/78/411984578.db2.gz AFIZEZTZKIKKLH-WDEREUQCSA-N 1 2 204.273 1.554 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662090444 411985006 /nfs/dbraw/zinc/98/50/06/411985006.db2.gz DRZNMKNSRFJYKS-UWVGGRQHSA-N 1 2 236.319 1.675 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC000662092216 411985946 /nfs/dbraw/zinc/98/59/46/411985946.db2.gz IBROXNJGTWOEMK-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](Cc1cn[nH]c1)CCO2 ZINC000662092216 411985947 /nfs/dbraw/zinc/98/59/47/411985947.db2.gz IBROXNJGTWOEMK-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO Cc1cc(N2CC[C@H]3COC[C@@H]3C2)nc[nH+]1 ZINC000664556046 411986584 /nfs/dbraw/zinc/98/65/84/411986584.db2.gz IWLGRTJZHCZRNZ-QWRGUYRKSA-N 1 2 219.288 1.258 20 0 BDADLO CCCCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662100903 411987148 /nfs/dbraw/zinc/98/71/48/411987148.db2.gz NLLQYYDYAZGSFJ-JTQLQIEISA-N 1 2 238.335 1.923 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCc2nccnc2C1 ZINC000662122155 411991853 /nfs/dbraw/zinc/99/18/53/411991853.db2.gz VXMJNRWXHRVGJE-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cccnc1C[N@H+]1CCc2nccnc2C1 ZINC000662122155 411991857 /nfs/dbraw/zinc/99/18/57/411991857.db2.gz VXMJNRWXHRVGJE-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nc(N[C@H](C)c2nccn2C)cc[nH+]1 ZINC000664608821 411997788 /nfs/dbraw/zinc/99/77/88/411997788.db2.gz NVIAUUOSCSNNIG-MRVPVSSYSA-N 1 2 217.276 1.692 20 0 BDADLO COc1nc(C)cc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000664609028 411998914 /nfs/dbraw/zinc/99/89/14/411998914.db2.gz TYMPXQQXRWUNEM-SECBINFHSA-N 1 2 247.302 1.700 20 0 BDADLO O[C@H]1C[C@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000664644272 412004829 /nfs/dbraw/zinc/00/48/29/412004829.db2.gz KTJDGNXKJHDGKW-MGCOHNPYSA-N 1 2 234.303 1.234 20 0 BDADLO O[C@H]1C[C@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000664644272 412004831 /nfs/dbraw/zinc/00/48/31/412004831.db2.gz KTJDGNXKJHDGKW-MGCOHNPYSA-N 1 2 234.303 1.234 20 0 BDADLO C[C@]12COC[C@H]1CN(c1cccc[nH+]1)C2 ZINC000664420786 411949844 /nfs/dbraw/zinc/94/98/44/411949844.db2.gz GHHPGYJOJWMTKZ-PWSUYJOCSA-N 1 2 204.273 1.554 20 0 BDADLO C[C@@]12COC[C@@H]1CN(c1cccc[nH+]1)C2 ZINC000664420784 411950009 /nfs/dbraw/zinc/95/00/09/411950009.db2.gz GHHPGYJOJWMTKZ-CMPLNLGQSA-N 1 2 204.273 1.554 20 0 BDADLO O[C@]12C[C@H]1CN(c1[nH]c3ccccc3[nH+]1)CC2 ZINC000664423325 411951027 /nfs/dbraw/zinc/95/10/27/411951027.db2.gz BZCXWGHQLQQFFD-TVQRCGJNSA-N 1 2 229.283 1.524 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2(C)COC2)s1 ZINC000662255394 412050753 /nfs/dbraw/zinc/05/07/53/412050753.db2.gz OXSTZCFQMJHWTB-UHFFFAOYSA-N 1 2 227.333 1.315 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2(C)COC2)s1 ZINC000662255394 412050756 /nfs/dbraw/zinc/05/07/56/412050756.db2.gz OXSTZCFQMJHWTB-UHFFFAOYSA-N 1 2 227.333 1.315 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000376957749 171007032 /nfs/dbraw/zinc/00/70/32/171007032.db2.gz LSICWEGVVWOPJZ-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000125752994 171008715 /nfs/dbraw/zinc/00/87/15/171008715.db2.gz DLSMQTGELMWFMO-MRVPVSSYSA-N 1 2 240.332 1.209 20 0 BDADLO CC[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000125752994 171008717 /nfs/dbraw/zinc/00/87/17/171008717.db2.gz DLSMQTGELMWFMO-MRVPVSSYSA-N 1 2 240.332 1.209 20 0 BDADLO CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(COC)no1 ZINC000330262261 171026448 /nfs/dbraw/zinc/02/64/48/171026448.db2.gz UTFBGZKHCUUEOF-RKDXNWHRSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(COC)no1 ZINC000330262261 171026449 /nfs/dbraw/zinc/02/64/49/171026449.db2.gz UTFBGZKHCUUEOF-RKDXNWHRSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)NCc2[nH]c[nH+]c2C)O1 ZINC000268097703 171048914 /nfs/dbraw/zinc/04/89/14/171048914.db2.gz MLJRLUOXGYSLQY-MWLCHTKSSA-N 1 2 237.303 1.292 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H](C)O1 ZINC000092487677 171087743 /nfs/dbraw/zinc/08/77/43/171087743.db2.gz SDANWAGWDPYHNX-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H](C)O1 ZINC000092487677 171087746 /nfs/dbraw/zinc/08/77/46/171087746.db2.gz SDANWAGWDPYHNX-GXSJLCMTSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000271001044 171090158 /nfs/dbraw/zinc/09/01/58/171090158.db2.gz YVFLXXRYHPAACM-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000271001044 171090161 /nfs/dbraw/zinc/09/01/61/171090161.db2.gz YVFLXXRYHPAACM-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2conc2C)CCO1 ZINC000294891300 171091306 /nfs/dbraw/zinc/09/13/06/171091306.db2.gz LRROTYYUHPITTJ-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2conc2C)CCO1 ZINC000294891300 171091309 /nfs/dbraw/zinc/09/13/09/171091309.db2.gz LRROTYYUHPITTJ-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C(C)C)no2)C[C@H]1O ZINC000341004779 171091725 /nfs/dbraw/zinc/09/17/25/171091725.db2.gz CMFAXXORUTZYKH-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C(C)C)no2)C[C@H]1O ZINC000341004779 171091729 /nfs/dbraw/zinc/09/17/29/171091729.db2.gz CMFAXXORUTZYKH-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339230442 171096009 /nfs/dbraw/zinc/09/60/09/171096009.db2.gz HUFMXUNYMQFIFI-VXGBXAGGSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339230442 171096015 /nfs/dbraw/zinc/09/60/15/171096015.db2.gz HUFMXUNYMQFIFI-VXGBXAGGSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)nn1 ZINC000338302528 171105879 /nfs/dbraw/zinc/10/58/79/171105879.db2.gz CGXUYGIGMRJLDJ-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)nn1 ZINC000338302528 171105883 /nfs/dbraw/zinc/10/58/83/171105883.db2.gz CGXUYGIGMRJLDJ-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1conc1C ZINC000294985306 171113119 /nfs/dbraw/zinc/11/31/19/171113119.db2.gz STIAGJUUTNGXNS-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1conc1C ZINC000294985306 171113121 /nfs/dbraw/zinc/11/31/21/171113121.db2.gz STIAGJUUTNGXNS-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1[nH]ncc1C ZINC000336448900 171114777 /nfs/dbraw/zinc/11/47/77/171114777.db2.gz QNPOWCZOQUVMST-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1[nH]ncc1C ZINC000336448900 171114779 /nfs/dbraw/zinc/11/47/79/171114779.db2.gz QNPOWCZOQUVMST-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1n[nH]cc1C ZINC000336448900 171114781 /nfs/dbraw/zinc/11/47/81/171114781.db2.gz QNPOWCZOQUVMST-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1n[nH]cc1C ZINC000336448900 171114782 /nfs/dbraw/zinc/11/47/82/171114782.db2.gz QNPOWCZOQUVMST-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1c2cccn2CC[N@H+]1Cc1cnnn1C ZINC000368330067 171162642 /nfs/dbraw/zinc/16/26/42/171162642.db2.gz FYXASZJTXNOBJU-GFCCVEGCSA-N 1 2 245.330 1.584 20 0 BDADLO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1cnnn1C ZINC000368330067 171162643 /nfs/dbraw/zinc/16/26/43/171162643.db2.gz FYXASZJTXNOBJU-GFCCVEGCSA-N 1 2 245.330 1.584 20 0 BDADLO CC[C@@](C)(OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280001422 171190525 /nfs/dbraw/zinc/19/05/25/171190525.db2.gz HTVKVAMASZDRAM-CMPLNLGQSA-N 1 2 239.319 1.203 20 0 BDADLO CC[C@@](C)(OC)C(=O)NCc1[nH]c[nH+]c1C ZINC000281505824 171190684 /nfs/dbraw/zinc/19/06/84/171190684.db2.gz PACAPKBWEHQLTO-LLVKDONJSA-N 1 2 225.292 1.149 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc[nH]n1 ZINC000336455883 171204639 /nfs/dbraw/zinc/20/46/39/171204639.db2.gz AGYFUOYDJRYHHB-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc[nH]n1 ZINC000336455883 171204641 /nfs/dbraw/zinc/20/46/41/171204641.db2.gz AGYFUOYDJRYHHB-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO CC[C@@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283122694 171211925 /nfs/dbraw/zinc/21/19/25/171211925.db2.gz NAKQZKZQESSNNX-IHVVCDCBSA-N 1 2 249.314 1.186 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000332631696 171213780 /nfs/dbraw/zinc/21/37/80/171213780.db2.gz IHXMYCMRRGBNOG-GFCCVEGCSA-N 1 2 238.335 1.275 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000332631696 171213783 /nfs/dbraw/zinc/21/37/83/171213783.db2.gz IHXMYCMRRGBNOG-GFCCVEGCSA-N 1 2 238.335 1.275 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000332664295 171214074 /nfs/dbraw/zinc/21/40/74/171214074.db2.gz OVTIHYSNGUBXRL-SNVBAGLBSA-N 1 2 247.245 1.354 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000332664295 171214078 /nfs/dbraw/zinc/21/40/78/171214078.db2.gz OVTIHYSNGUBXRL-SNVBAGLBSA-N 1 2 247.245 1.354 20 0 BDADLO CC[C@H](C(=O)Nc1nc(C)n[nH]1)[NH+](CC)CC ZINC000266847554 171235341 /nfs/dbraw/zinc/23/53/41/171235341.db2.gz QHPMLCFDYVFTJY-SECBINFHSA-N 1 2 239.323 1.172 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000375320082 171270950 /nfs/dbraw/zinc/27/09/50/171270950.db2.gz QDJMBKLJBVOOIH-NWDGAFQWSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](C)C[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000111254096 171274644 /nfs/dbraw/zinc/27/46/44/171274644.db2.gz RCWHNSZTRYSHBL-JTQLQIEISA-N 1 2 248.330 1.501 20 0 BDADLO CC[C@H](C)C[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000111254096 171274646 /nfs/dbraw/zinc/27/46/46/171274646.db2.gz RCWHNSZTRYSHBL-JTQLQIEISA-N 1 2 248.330 1.501 20 0 BDADLO CC[C@H](C)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366679370 171279444 /nfs/dbraw/zinc/27/94/44/171279444.db2.gz NFNDMUSMKOWDLQ-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366679370 171279446 /nfs/dbraw/zinc/27/94/46/171279446.db2.gz NFNDMUSMKOWDLQ-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)N(CCO)c1cc[nH+]c(C)n1 ZINC000288552649 171315797 /nfs/dbraw/zinc/31/57/97/171315797.db2.gz PPJNCIGWGCCJOX-VIFPVBQESA-N 1 2 209.293 1.382 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295100987 171331473 /nfs/dbraw/zinc/33/14/73/171331473.db2.gz GJVCWGMCILVAER-NWDGAFQWSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295100987 171331474 /nfs/dbraw/zinc/33/14/74/171331474.db2.gz GJVCWGMCILVAER-NWDGAFQWSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278493681 171350450 /nfs/dbraw/zinc/35/04/50/171350450.db2.gz WMSAHYSYZYLSSN-LURJTMIESA-N 1 2 220.280 1.156 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000264141091 171363111 /nfs/dbraw/zinc/36/31/11/171363111.db2.gz IXJFETZMIVVMHN-VHSXEESVSA-N 1 2 238.335 1.654 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290859973 171384302 /nfs/dbraw/zinc/38/43/02/171384302.db2.gz BLTVNLDUGRPMPL-QWRGUYRKSA-N 1 2 235.331 1.908 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000665105339 412095387 /nfs/dbraw/zinc/09/53/87/412095387.db2.gz LONHGKUDSMFNMS-GDNZZTSVSA-N 1 2 233.315 1.436 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)C[C@@](C)(C(F)F)O1 ZINC000662360100 412124109 /nfs/dbraw/zinc/12/41/09/412124109.db2.gz PXSBGGDENASLNR-KWQFWETISA-N 1 2 245.273 1.654 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@](C)(C(F)F)O1 ZINC000662360100 412124110 /nfs/dbraw/zinc/12/41/10/412124110.db2.gz PXSBGGDENASLNR-KWQFWETISA-N 1 2 245.273 1.654 20 0 BDADLO C[C@]1(C(F)F)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000662372626 412129765 /nfs/dbraw/zinc/12/97/65/412129765.db2.gz ZIFXPYPKARIXBT-SNVBAGLBSA-N 1 2 231.246 1.266 20 0 BDADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)O ZINC000292872154 171553224 /nfs/dbraw/zinc/55/32/24/171553224.db2.gz TYFFBSULLNRJLQ-VIFPVBQESA-N 1 2 249.318 1.325 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC1(C)C ZINC000665474283 412332635 /nfs/dbraw/zinc/33/26/35/412332635.db2.gz YJCGGHJSBZZNJP-SNVBAGLBSA-N 1 2 235.331 1.815 20 0 BDADLO CCCCc1cc(NCCC(=O)NC)nc[nH+]1 ZINC000631064600 412346692 /nfs/dbraw/zinc/34/66/92/412346692.db2.gz DVZIUDKNPKWBMU-UHFFFAOYSA-N 1 2 236.319 1.367 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)no1 ZINC000665532007 412350814 /nfs/dbraw/zinc/35/08/14/412350814.db2.gz XFNKXHKHOUSTDY-RKDXNWHRSA-N 1 2 246.270 1.459 20 0 BDADLO CCCOc1nccnc1NCCn1cc[nH+]c1 ZINC000527829039 412358576 /nfs/dbraw/zinc/35/85/76/412358576.db2.gz RJECWLMCLWARSQ-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000663164552 412390991 /nfs/dbraw/zinc/39/09/91/412390991.db2.gz DGWZLOOFRUOBML-OUAUKWLOSA-N 1 2 247.342 1.986 20 0 BDADLO Cc1nc(N2CCCc3n[nH]cc3C2)cc[nH+]1 ZINC000663173918 412391467 /nfs/dbraw/zinc/39/14/67/412391467.db2.gz DBWMQNOLZVVDDU-UHFFFAOYSA-N 1 2 229.287 1.461 20 0 BDADLO CCCn1nccc1CNc1cc[nH+]cc1F ZINC000663257631 412401196 /nfs/dbraw/zinc/40/11/96/412401196.db2.gz YQJAZCHGYGTABN-UHFFFAOYSA-N 1 2 234.278 1.861 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000265196374 171925108 /nfs/dbraw/zinc/92/51/08/171925108.db2.gz JDSDRZXIFFZCCW-JTQLQIEISA-N 1 2 247.298 1.061 20 0 BDADLO CCc1[nH+]c2ccccc2n1C[C@H](C)O ZINC000040389181 172014012 /nfs/dbraw/zinc/01/40/12/172014012.db2.gz LWFRHOKDOBOUJN-VIFPVBQESA-N 1 2 204.273 1.980 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@]23CCOC3)o1 ZINC000367063769 172049885 /nfs/dbraw/zinc/04/98/85/172049885.db2.gz ZINUBAXEVDOMHS-GFCCVEGCSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@]23CCOC3)o1 ZINC000367063769 172049890 /nfs/dbraw/zinc/04/98/90/172049890.db2.gz ZINUBAXEVDOMHS-GFCCVEGCSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000336518468 172075601 /nfs/dbraw/zinc/07/56/01/172075601.db2.gz LTKSPOIAEJNTOO-SECBINFHSA-N 1 2 236.315 1.956 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000336518468 172075604 /nfs/dbraw/zinc/07/56/04/172075604.db2.gz LTKSPOIAEJNTOO-SECBINFHSA-N 1 2 236.315 1.956 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000361435945 172088814 /nfs/dbraw/zinc/08/88/14/172088814.db2.gz XQYLNNZOJABWHD-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CC[C@@H](OC)C2)n1 ZINC000361435945 172088818 /nfs/dbraw/zinc/08/88/18/172088818.db2.gz XQYLNNZOJABWHD-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1occc1C(=O)NCc1[nH]c[nH+]c1C ZINC000280433847 172116359 /nfs/dbraw/zinc/11/63/59/172116359.db2.gz AGRWNQHCKZKZTC-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CCc1occc1C(=O)NCCCn1cc[nH+]c1 ZINC000280385583 172116993 /nfs/dbraw/zinc/11/69/93/172116993.db2.gz ABFHJZHBQHJCOP-UHFFFAOYSA-N 1 2 247.298 1.859 20 0 BDADLO CCc1ocnc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297154432 172121273 /nfs/dbraw/zinc/12/12/73/172121273.db2.gz RVUUUHTVLYFTTP-UHFFFAOYSA-N 1 2 237.303 1.059 20 0 BDADLO CCc1ocnc1C(=O)NCc1[nH]c[nH+]c1C ZINC000267274676 172122540 /nfs/dbraw/zinc/12/25/40/172122540.db2.gz WHBHECOIIHGECN-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1ocnc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265740142 172122561 /nfs/dbraw/zinc/12/25/61/172122561.db2.gz BUQHJCPNIDRCQA-VIFPVBQESA-N 1 2 248.286 1.252 20 0 BDADLO CCn1cc(C[N@@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000276835908 172165577 /nfs/dbraw/zinc/16/55/77/172165577.db2.gz RSNDFBHMSOEAKW-SNVBAGLBSA-N 1 2 246.318 1.071 20 0 BDADLO CCn1cc(C[N@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000276835908 172165580 /nfs/dbraw/zinc/16/55/80/172165580.db2.gz RSNDFBHMSOEAKW-SNVBAGLBSA-N 1 2 246.318 1.071 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368880506 172165942 /nfs/dbraw/zinc/16/59/42/172165942.db2.gz SWGWFPFJUBSXGD-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368880506 172165944 /nfs/dbraw/zinc/16/59/44/172165944.db2.gz SWGWFPFJUBSXGD-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000126874791 172166604 /nfs/dbraw/zinc/16/66/04/172166604.db2.gz WOIVYWXGGXYJQV-PHIMTYICSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000126874791 172166607 /nfs/dbraw/zinc/16/66/07/172166607.db2.gz WOIVYWXGGXYJQV-PHIMTYICSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(C)no2)cn1 ZINC000050539788 172172895 /nfs/dbraw/zinc/17/28/95/172172895.db2.gz HEFFGSZDRWPYIW-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@H]1C(=O)OC ZINC000054743878 172219038 /nfs/dbraw/zinc/21/90/38/172219038.db2.gz CLEQZCJCKPRCLQ-JTQLQIEISA-N 1 2 237.303 1.040 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@H]1C[C@@H]1C ZINC000296510080 172222036 /nfs/dbraw/zinc/22/20/36/172222036.db2.gz YOIBZEYLUYOYEJ-VHSXEESVSA-N 1 2 236.319 1.358 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(C)CCC1 ZINC000295753249 172222165 /nfs/dbraw/zinc/22/21/65/172222165.db2.gz NMHKOTSLYRUELM-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1C=CCC1 ZINC000295555915 172222926 /nfs/dbraw/zinc/22/29/26/172222926.db2.gz FDGPVMDGLWFRHC-LLVKDONJSA-N 1 2 233.315 1.876 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000353451722 172236095 /nfs/dbraw/zinc/23/60/95/172236095.db2.gz XHSVKJCHDFHERT-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccccc1OC ZINC000218227792 172237168 /nfs/dbraw/zinc/23/71/68/172237168.db2.gz WQKHIFXNCSINKF-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCn1nc(C)c(C[NH+]2CCOCC2)c1C ZINC000154530451 172245546 /nfs/dbraw/zinc/24/55/46/172245546.db2.gz XNMTXFRHYSMXBE-UHFFFAOYSA-N 1 2 223.320 1.352 20 0 BDADLO CCn1nccc1CN(C)Cc1c[nH+]c[nH]1 ZINC000352368086 172264248 /nfs/dbraw/zinc/26/42/48/172264248.db2.gz FENXYFBIDTVPBV-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCn1nccc1CN(C)Cc1c[nH]c[nH+]1 ZINC000352368086 172264253 /nfs/dbraw/zinc/26/42/53/172264253.db2.gz FENXYFBIDTVPBV-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@@H]1C ZINC000130766615 172266219 /nfs/dbraw/zinc/26/62/19/172266219.db2.gz ZVNJJAKUTWUSQG-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@@H]1C ZINC000130766615 172266221 /nfs/dbraw/zinc/26/62/21/172266221.db2.gz ZVNJJAKUTWUSQG-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000119526931 172269668 /nfs/dbraw/zinc/26/96/68/172269668.db2.gz AIVOGBXMLPCQDV-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000119526931 172269672 /nfs/dbraw/zinc/26/96/72/172269672.db2.gz AIVOGBXMLPCQDV-LLVKDONJSA-N 1 2 237.347 1.902 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCc1ccccn1 ZINC000193453518 172278110 /nfs/dbraw/zinc/27/81/10/172278110.db2.gz NYCOPNLPOLEPEV-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCc1ccccn1 ZINC000193453518 172278114 /nfs/dbraw/zinc/27/81/14/172278114.db2.gz NYCOPNLPOLEPEV-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1nnc(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000294879544 172286762 /nfs/dbraw/zinc/28/67/62/172286762.db2.gz DHQWOEQBEQKXGF-UHFFFAOYSA-N 1 2 245.286 1.562 20 0 BDADLO CN(C(=O)C[N@@H+]1CCc2ncccc2C1)C1CC1 ZINC000368333053 172310289 /nfs/dbraw/zinc/31/02/89/172310289.db2.gz RYUPJYYSZTYZQI-UHFFFAOYSA-N 1 2 245.326 1.061 20 0 BDADLO CN(C(=O)C[N@H+]1CCc2ncccc2C1)C1CC1 ZINC000368333053 172310291 /nfs/dbraw/zinc/31/02/91/172310291.db2.gz RYUPJYYSZTYZQI-UHFFFAOYSA-N 1 2 245.326 1.061 20 0 BDADLO CN(C)C(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122325386 172364063 /nfs/dbraw/zinc/36/40/63/172364063.db2.gz RBNNQDLBQIGFKV-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN(C)C(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122325386 172364066 /nfs/dbraw/zinc/36/40/66/172364066.db2.gz RBNNQDLBQIGFKV-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO C[NH+](C)c1ccc(N[C@H]2CCOC2)cc1 ZINC000070965701 172557470 /nfs/dbraw/zinc/55/74/70/172557470.db2.gz SEXHAVZUOILFLX-NSHDSACASA-N 1 2 206.289 1.953 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC(F)(F)F ZINC000084124127 172927002 /nfs/dbraw/zinc/92/70/02/172927002.db2.gz GWZAWWKFEPSTOD-UHFFFAOYSA-N 1 2 235.209 1.711 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC1(C)C ZINC000271748563 172929687 /nfs/dbraw/zinc/92/96/87/172929687.db2.gz FCLYQZFFFXQOSN-VIFPVBQESA-N 1 2 236.319 1.360 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C1CCOCC1 ZINC000336721523 172939851 /nfs/dbraw/zinc/93/98/51/172939851.db2.gz ZIFQJUYULBZOTA-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C1CCOCC1 ZINC000336721523 172939852 /nfs/dbraw/zinc/93/98/52/172939852.db2.gz ZIFQJUYULBZOTA-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000281559869 173074273 /nfs/dbraw/zinc/07/42/73/173074273.db2.gz PYXCSGVOJAWAOD-UHFFFAOYSA-N 1 2 234.299 1.545 20 0 BDADLO CN1CC[N@H+](C/C=C/c2ccccc2)CC1=O ZINC000119465785 173076372 /nfs/dbraw/zinc/07/63/72/173076372.db2.gz AQNSHHSUDOJFKC-VMPITWQZSA-N 1 2 230.311 1.474 20 0 BDADLO CN1CC[N@@H+](C/C=C/c2ccccc2)CC1=O ZINC000119465785 173076374 /nfs/dbraw/zinc/07/63/74/173076374.db2.gz AQNSHHSUDOJFKC-VMPITWQZSA-N 1 2 230.311 1.474 20 0 BDADLO C[NH+]1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000019368936 173080538 /nfs/dbraw/zinc/08/05/38/173080538.db2.gz SEOYOHLBOHKQDS-UHFFFAOYSA-N 1 2 246.354 1.897 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2ncccc2Cl)C1 ZINC000085791185 173108562 /nfs/dbraw/zinc/10/85/62/173108562.db2.gz YTWVSTWIODPUSV-SECBINFHSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2ncccc2Cl)C1 ZINC000085791185 173108564 /nfs/dbraw/zinc/10/85/64/173108564.db2.gz YTWVSTWIODPUSV-SECBINFHSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2ccc(Cl)cn2)C1 ZINC000085502215 173109165 /nfs/dbraw/zinc/10/91/65/173109165.db2.gz OPTXCLIHQJPGLH-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2ccc(Cl)cn2)C1 ZINC000085502215 173109168 /nfs/dbraw/zinc/10/91/68/173109168.db2.gz OPTXCLIHQJPGLH-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@@H+]1CCc2ncnc(N[C@H]3C=CCCC3)c2C1 ZINC000342206576 173173007 /nfs/dbraw/zinc/17/30/07/173173007.db2.gz GZYKFHBFHKCMFH-NSHDSACASA-N 1 2 244.342 1.985 20 0 BDADLO C[N@H+]1CCc2ncnc(N[C@H]3C=CCCC3)c2C1 ZINC000342206576 173173009 /nfs/dbraw/zinc/17/30/09/173173009.db2.gz GZYKFHBFHKCMFH-NSHDSACASA-N 1 2 244.342 1.985 20 0 BDADLO CN1C[C@H](Nc2ccc3ccccc3[nH+]2)CC1=O ZINC000278660480 173195987 /nfs/dbraw/zinc/19/59/87/173195987.db2.gz FDLHVPNSQVTTRA-LLVKDONJSA-N 1 2 241.294 1.877 20 0 BDADLO CN1Cc2ccccc2[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000372972883 173201388 /nfs/dbraw/zinc/20/13/88/173201388.db2.gz ITYPLQWYELXENX-CYBMUJFWSA-N 1 2 242.326 1.686 20 0 BDADLO CNC(=O)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000044349323 173260552 /nfs/dbraw/zinc/26/05/52/173260552.db2.gz LTHZVZQIZLRUIX-UHFFFAOYSA-N 1 2 236.319 1.456 20 0 BDADLO CNC(=O)C[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000274803030 173268045 /nfs/dbraw/zinc/26/80/45/173268045.db2.gz VSRKBLSAUMITGR-UHFFFAOYSA-N 1 2 248.326 1.246 20 0 BDADLO CNC(=O)C[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000274803030 173268049 /nfs/dbraw/zinc/26/80/49/173268049.db2.gz VSRKBLSAUMITGR-UHFFFAOYSA-N 1 2 248.326 1.246 20 0 BDADLO CNC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936707 173270259 /nfs/dbraw/zinc/27/02/59/173270259.db2.gz NUJAWCNZRFWSNX-QMMMGPOBSA-N 1 2 241.360 1.499 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936707 173270263 /nfs/dbraw/zinc/27/02/63/173270263.db2.gz NUJAWCNZRFWSNX-QMMMGPOBSA-N 1 2 241.360 1.499 20 0 BDADLO CNC(=O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000368399717 173274057 /nfs/dbraw/zinc/27/40/57/173274057.db2.gz ZIBGQPKVFWKKCY-QMMMGPOBSA-N 1 2 225.317 1.026 20 0 BDADLO CNC(=O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC000368399717 173274058 /nfs/dbraw/zinc/27/40/58/173274058.db2.gz ZIBGQPKVFWKKCY-QMMMGPOBSA-N 1 2 225.317 1.026 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@H]1c1ccccc1F ZINC000374041409 173274530 /nfs/dbraw/zinc/27/45/30/173274530.db2.gz HYZUUTYSGXSXCK-NSHDSACASA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@H]1c1ccccc1F ZINC000374041409 173274531 /nfs/dbraw/zinc/27/45/31/173274531.db2.gz HYZUUTYSGXSXCK-NSHDSACASA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000067228465 173275297 /nfs/dbraw/zinc/27/52/97/173275297.db2.gz ZNKPFPXMGHMHIN-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000067228465 173275298 /nfs/dbraw/zinc/27/52/98/173275298.db2.gz ZNKPFPXMGHMHIN-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)N1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000271187332 173285695 /nfs/dbraw/zinc/28/56/95/173285695.db2.gz NNTQVLDSAXASPZ-UHFFFAOYSA-N 1 2 237.303 1.045 20 0 BDADLO CNC(=O)[C@@H](C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000270606870 173294416 /nfs/dbraw/zinc/29/44/16/173294416.db2.gz XFCGFPVIYQKQJC-VIFPVBQESA-N 1 2 246.314 1.381 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000309560655 173299744 /nfs/dbraw/zinc/29/97/44/173299744.db2.gz KYMZHGOQSSBDMN-NXEZZACHSA-N 1 2 219.288 1.408 20 0 BDADLO CNC(=O)[C@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC000309468374 173303280 /nfs/dbraw/zinc/30/32/80/173303280.db2.gz QAHCRAKPGWMLKK-ZETCQYMHSA-N 1 2 239.344 1.245 20 0 BDADLO CNC(=O)c1ccc(NCc2[nH]cc[nH+]2)c(C)c1 ZINC000049715355 173310844 /nfs/dbraw/zinc/31/08/44/173310844.db2.gz LACGYVAYJBDJHR-UHFFFAOYSA-N 1 2 244.298 1.690 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc(F)cc2F)n1 ZINC000123142089 173399338 /nfs/dbraw/zinc/39/93/38/173399338.db2.gz JQXLOQURPKWKBH-UHFFFAOYSA-N 1 2 239.225 1.658 20 0 BDADLO COC(=O)CN(C)Cc1c(C)[nH+]c2ccccn21 ZINC000339829936 173577966 /nfs/dbraw/zinc/57/79/66/173577966.db2.gz SDCBMEJHJTVHIW-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccco1 ZINC000456342675 487627340 /nfs/dbraw/zinc/62/73/40/487627340.db2.gz FBSSOMMWKYLGKR-SNVBAGLBSA-N 1 2 247.298 1.916 20 0 BDADLO COC1C[NH+](Cc2sc(C)nc2C)C1 ZINC000334146467 174034778 /nfs/dbraw/zinc/03/47/78/174034778.db2.gz QBPUVWHCPFXIPT-UHFFFAOYSA-N 1 2 212.318 1.591 20 0 BDADLO COCC(C)(C)C(=O)Nc1c[nH+]ccc1OC ZINC000125459833 174068988 /nfs/dbraw/zinc/06/89/88/174068988.db2.gz PEEUKUNTGYCBME-UHFFFAOYSA-N 1 2 238.287 1.701 20 0 BDADLO COCC(C)(C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000120203024 174080805 /nfs/dbraw/zinc/08/08/05/174080805.db2.gz GIAKPQPZWRVCTK-UHFFFAOYSA-N 1 2 237.303 1.937 20 0 BDADLO COCC1(O)C[NH+](Cc2cccc(F)c2)C1 ZINC000297487225 174112833 /nfs/dbraw/zinc/11/28/33/174112833.db2.gz UTHSFKPFUGNMNI-UHFFFAOYSA-N 1 2 225.263 1.019 20 0 BDADLO COCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC000187692992 174116588 /nfs/dbraw/zinc/11/65/88/174116588.db2.gz HPWZPZKWJBZJHN-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO COCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC000187692992 174116590 /nfs/dbraw/zinc/11/65/90/174116590.db2.gz HPWZPZKWJBZJHN-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO COCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC000187690979 174117442 /nfs/dbraw/zinc/11/74/42/174117442.db2.gz SGVMGSWZBQVYSE-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO COCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC000187690979 174117444 /nfs/dbraw/zinc/11/74/44/174117444.db2.gz SGVMGSWZBQVYSE-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO COCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000339697515 174132037 /nfs/dbraw/zinc/13/20/37/174132037.db2.gz VTQPLEFRJBHYEO-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO COCCC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000273691835 174143506 /nfs/dbraw/zinc/14/35/06/174143506.db2.gz NONIWTWMJDRODV-UHFFFAOYSA-N 1 2 239.319 1.511 20 0 BDADLO COCCC1(C)C[NH+](Cc2n[nH]cc2C)C1 ZINC000297426742 174153485 /nfs/dbraw/zinc/15/34/85/174153485.db2.gz OAVHWXPBSPFRPM-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO COCCCC(=O)OCc1c[nH+]ccc1OC ZINC000288884701 174170010 /nfs/dbraw/zinc/17/00/10/174170010.db2.gz YUGUQDUEPXAFRP-UHFFFAOYSA-N 1 2 239.271 1.560 20 0 BDADLO COCCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000237179221 174173669 /nfs/dbraw/zinc/17/36/69/174173669.db2.gz ZSMNAPZNUXEJIP-UHFFFAOYSA-N 1 2 223.276 1.419 20 0 BDADLO COCCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000057833944 174198297 /nfs/dbraw/zinc/19/82/97/174198297.db2.gz YUELMUFTSACEKS-UHFFFAOYSA-N 1 2 247.298 1.491 20 0 BDADLO COCCCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000121625930 174212365 /nfs/dbraw/zinc/21/23/65/174212365.db2.gz YWKZHERSKWEPBZ-UHFFFAOYSA-N 1 2 237.303 1.890 20 0 BDADLO COCCCN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000374440687 174221080 /nfs/dbraw/zinc/22/10/80/174221080.db2.gz XNPGXXJZCQGZHX-UHFFFAOYSA-N 1 2 246.314 1.740 20 0 BDADLO COCCC[N@H+](CCOC)Cc1cn[nH]c1C ZINC000092221402 174224185 /nfs/dbraw/zinc/22/41/85/174224185.db2.gz HBCLKVXFLAQWRV-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCC[N@@H+](CCOC)Cc1cn[nH]c1C ZINC000092221402 174224186 /nfs/dbraw/zinc/22/41/86/174224186.db2.gz HBCLKVXFLAQWRV-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000377493761 174231042 /nfs/dbraw/zinc/23/10/42/174231042.db2.gz KQYGIEKJPMJWCN-SECBINFHSA-N 1 2 211.265 1.243 20 0 BDADLO COCCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000377493761 174231045 /nfs/dbraw/zinc/23/10/45/174231045.db2.gz KQYGIEKJPMJWCN-SECBINFHSA-N 1 2 211.265 1.243 20 0 BDADLO COCCCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106304440 174237698 /nfs/dbraw/zinc/23/76/98/174237698.db2.gz RPNXZOXHGRPNNH-UHFFFAOYSA-N 1 2 248.326 1.155 20 0 BDADLO COCCCOCC[N@H+](C)Cc1ccon1 ZINC000091102159 174255409 /nfs/dbraw/zinc/25/54/09/174255409.db2.gz UVPKGWFEFYOPBG-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1ccon1 ZINC000091102159 174255411 /nfs/dbraw/zinc/25/54/11/174255411.db2.gz UVPKGWFEFYOPBG-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO COCCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000121962752 174272377 /nfs/dbraw/zinc/27/23/77/174272377.db2.gz ABOBYELFJMGCBH-UHFFFAOYSA-N 1 2 223.276 1.500 20 0 BDADLO COCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000120015846 174272583 /nfs/dbraw/zinc/27/25/83/174272583.db2.gz FGWVMICFVOSQMS-UHFFFAOYSA-N 1 2 223.276 1.500 20 0 BDADLO COCC[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000338920520 174280112 /nfs/dbraw/zinc/28/01/12/174280112.db2.gz KKLOIIWUGZKONS-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO COCC[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000338920520 174280115 /nfs/dbraw/zinc/28/01/15/174280115.db2.gz KKLOIIWUGZKONS-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO COCC[N@H+](CCO)Cc1ccsc1Cl ZINC000361554934 174295065 /nfs/dbraw/zinc/29/50/65/174295065.db2.gz WFTBJQMJHUEIDH-UHFFFAOYSA-N 1 2 249.763 1.842 20 0 BDADLO COCC[N@@H+](CCO)Cc1ccsc1Cl ZINC000361554934 174295067 /nfs/dbraw/zinc/29/50/67/174295067.db2.gz WFTBJQMJHUEIDH-UHFFFAOYSA-N 1 2 249.763 1.842 20 0 BDADLO COCC[N@H+](Cc1ccon1)[C@H]1CCO[C@H]1C ZINC000352357812 174301122 /nfs/dbraw/zinc/30/11/22/174301122.db2.gz POWPYKGKZMIMFZ-JQWIXIFHSA-N 1 2 240.303 1.300 20 0 BDADLO COCC[N@@H+](Cc1ccon1)[C@H]1CCO[C@H]1C ZINC000352357812 174301124 /nfs/dbraw/zinc/30/11/24/174301124.db2.gz POWPYKGKZMIMFZ-JQWIXIFHSA-N 1 2 240.303 1.300 20 0 BDADLO COCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000096713129 174325319 /nfs/dbraw/zinc/32/53/19/174325319.db2.gz HVIDFOUBENEOCK-UHFFFAOYSA-N 1 2 209.249 1.158 20 0 BDADLO COCCOC[C@@H](C)Nc1cccc[nH+]1 ZINC000336759917 174362440 /nfs/dbraw/zinc/36/24/40/174362440.db2.gz LGOCARINEHTWCD-SNVBAGLBSA-N 1 2 210.277 1.545 20 0 BDADLO COCC[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330956321 174379312 /nfs/dbraw/zinc/37/93/12/174379312.db2.gz MYYLITKWPXFACK-SECBINFHSA-N 1 2 239.319 1.229 20 0 BDADLO COCC[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000281922573 174389996 /nfs/dbraw/zinc/38/99/96/174389996.db2.gz RBOGPGOCUWURQJ-JTQLQIEISA-N 1 2 247.298 1.439 20 0 BDADLO COCC[C@@H](COC)Nc1cc[nH+]c(C)n1 ZINC000336687928 174392396 /nfs/dbraw/zinc/39/23/96/174392396.db2.gz VLFYTSYATARMMQ-JTQLQIEISA-N 1 2 225.292 1.248 20 0 BDADLO CO[C@@H](C(=O)Nc1cccc2[nH+]ccn21)C1CC1 ZINC000280465763 174673872 /nfs/dbraw/zinc/67/38/72/174673872.db2.gz OQVZGMVYABUPLL-GFCCVEGCSA-N 1 2 245.282 1.698 20 0 BDADLO COc1cc(C)[nH+]c(COc2cnn(C)c2)c1 ZINC000227962113 174973338 /nfs/dbraw/zinc/97/33/38/174973338.db2.gz NSTRWBQCGTXLTO-UHFFFAOYSA-N 1 2 233.271 1.711 20 0 BDADLO COc1cc([C@@H](C)Nc2cc[nH+]c(C)n2)ccn1 ZINC000340929971 175013302 /nfs/dbraw/zinc/01/33/02/175013302.db2.gz BMWZAXTTWDVVLM-SECBINFHSA-N 1 2 244.298 1.784 20 0 BDADLO COc1cc([C@H](C)Nc2cc[nH+]c(C)n2)ccn1 ZINC000340929972 175016352 /nfs/dbraw/zinc/01/63/52/175016352.db2.gz BMWZAXTTWDVVLM-VIFPVBQESA-N 1 2 244.298 1.784 20 0 BDADLO COc1ccc(C(=O)Nc2cc[nH+]cc2C)cn1 ZINC000337318247 175057534 /nfs/dbraw/zinc/05/75/34/175057534.db2.gz GFYQYLICQJSGQD-UHFFFAOYSA-N 1 2 243.266 1.468 20 0 BDADLO COc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000041528319 175060958 /nfs/dbraw/zinc/06/09/58/175060958.db2.gz BGEPXHMLDICKKX-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]c[nH+]c2C)nc1 ZINC000360311279 175061190 /nfs/dbraw/zinc/06/11/90/175061190.db2.gz OXISXYVIKLRNSQ-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1 ZINC000282701021 175098311 /nfs/dbraw/zinc/09/83/11/175098311.db2.gz KVPRBWTXCYGSAA-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)NCC2(C)C)cc1 ZINC000282701021 175098313 /nfs/dbraw/zinc/09/83/13/175098313.db2.gz KVPRBWTXCYGSAA-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1O ZINC000131949513 175100899 /nfs/dbraw/zinc/10/08/99/175100899.db2.gz RNBBNUUXJUNCEA-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1O ZINC000131949513 175100901 /nfs/dbraw/zinc/10/09/01/175100901.db2.gz RNBBNUUXJUNCEA-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[NH+]2CCOCC2)cc1N ZINC000021516312 175100928 /nfs/dbraw/zinc/10/09/28/175100928.db2.gz XTXFNRBRMRNYGE-UHFFFAOYSA-N 1 2 222.288 1.110 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)nn1 ZINC000282406949 175101304 /nfs/dbraw/zinc/10/13/04/175101304.db2.gz FSSRGCCZKGTCIV-NEPJUHHUSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)nn1 ZINC000282406949 175101305 /nfs/dbraw/zinc/10/13/05/175101305.db2.gz FSSRGCCZKGTCIV-NEPJUHHUSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368783099 175101748 /nfs/dbraw/zinc/10/17/48/175101748.db2.gz IRXRGRJQOBOSAA-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000368783099 175101749 /nfs/dbraw/zinc/10/17/49/175101749.db2.gz IRXRGRJQOBOSAA-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cn1 ZINC000345354093 175110324 /nfs/dbraw/zinc/11/03/24/175110324.db2.gz RSRSRCQQWYVWHD-LLVKDONJSA-N 1 2 244.298 1.521 20 0 BDADLO COc1ccc([NH2+]CC2CC2)cc1-n1cnnn1 ZINC000268659425 175151136 /nfs/dbraw/zinc/15/11/36/175151136.db2.gz XUZILMFJDUILTC-UHFFFAOYSA-N 1 2 245.286 1.493 20 0 BDADLO COc1ccc(OC)c(C[NH2+]Cc2ncc[nH]2)c1 ZINC000067718620 175165706 /nfs/dbraw/zinc/16/57/06/175165706.db2.gz NGWUNYHQUBJJOD-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO COc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000179443200 175258644 /nfs/dbraw/zinc/25/86/44/175258644.db2.gz IPLYWMTXLQXUHK-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000179443200 175258646 /nfs/dbraw/zinc/25/86/46/175258646.db2.gz IPLYWMTXLQXUHK-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000340576683 175261887 /nfs/dbraw/zinc/26/18/87/175261887.db2.gz KWDHGFOJHFYHKZ-UHFFFAOYSA-N 1 2 244.294 1.617 20 0 BDADLO COc1cccc2c(N3CC[C@H](O)C3)cc[nH+]c12 ZINC000275512180 175299813 /nfs/dbraw/zinc/29/98/13/175299813.db2.gz NLJATHVZSUVAMU-JTQLQIEISA-N 1 2 244.294 1.814 20 0 BDADLO COc1ccccc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282792565 175325882 /nfs/dbraw/zinc/32/58/82/175325882.db2.gz RIPXTBBIVOXMAX-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccccc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282792565 175325883 /nfs/dbraw/zinc/32/58/83/175325883.db2.gz RIPXTBBIVOXMAX-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccccc1CN(Cc1[nH]cc[nH+]1)OC ZINC000289453898 175326102 /nfs/dbraw/zinc/32/61/02/175326102.db2.gz GGKBCJWRUPKIRF-UHFFFAOYSA-N 1 2 247.298 1.982 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nnc[nH]1 ZINC000037919392 175345717 /nfs/dbraw/zinc/34/57/17/175345717.db2.gz UEWSFVPMCLPGBQ-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccccc1[C@@H]([NH3+])c1nc(C)no1 ZINC000357413813 175347894 /nfs/dbraw/zinc/34/78/94/175347894.db2.gz WSNRSLPCHVLMLK-SNVBAGLBSA-N 1 2 219.244 1.435 20 0 BDADLO COc1ccnc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090009268 175358790 /nfs/dbraw/zinc/35/87/90/175358790.db2.gz CQOUYBJOGNQYNM-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccnc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090009268 175358792 /nfs/dbraw/zinc/35/87/92/175358792.db2.gz CQOUYBJOGNQYNM-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc[nH+]c(CN2CCOC[C@@H]2C2CC2)c1 ZINC000090009268 175358794 /nfs/dbraw/zinc/35/87/94/175358794.db2.gz CQOUYBJOGNQYNM-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000287687472 175369602 /nfs/dbraw/zinc/36/96/02/175369602.db2.gz IMBJTKUOFNFEOZ-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000287687472 175369604 /nfs/dbraw/zinc/36/96/04/175369604.db2.gz IMBJTKUOFNFEOZ-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)COC(C)C ZINC000293384825 175370767 /nfs/dbraw/zinc/37/07/67/175370767.db2.gz OODYCAFJVRJTEE-UHFFFAOYSA-N 1 2 238.287 1.131 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C(C)C ZINC000294678927 175370883 /nfs/dbraw/zinc/37/08/83/175370883.db2.gz SUUOGDHSWFZBEI-UHFFFAOYSA-N 1 2 208.261 1.362 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000293278721 175372050 /nfs/dbraw/zinc/37/20/50/175372050.db2.gz GWXSQYDWJQGBRR-NWDGAFQWSA-N 1 2 248.326 1.999 20 0 BDADLO COc1ccncc1C[NH2+]Cc1nccn1C ZINC000336683908 175372106 /nfs/dbraw/zinc/37/21/06/175372106.db2.gz CNOSYPMJFJJVIZ-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1cc[nH+]cc1COc1nc(C)no1 ZINC000286544436 175373765 /nfs/dbraw/zinc/37/37/65/175373765.db2.gz KUQAWJASJRQJHA-UHFFFAOYSA-N 1 2 221.216 1.361 20 0 BDADLO COc1cc[nH+]cc1CNc1ncccn1 ZINC000336673247 175374089 /nfs/dbraw/zinc/37/40/89/175374089.db2.gz JPZFPLJTLWFOOE-UHFFFAOYSA-N 1 2 216.244 1.492 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(OC)CCC1 ZINC000272731247 175374612 /nfs/dbraw/zinc/37/46/12/175374612.db2.gz LKHKRLDNMDZZNA-UHFFFAOYSA-N 1 2 236.271 1.598 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCCO1 ZINC000121501236 175375900 /nfs/dbraw/zinc/37/59/00/175375900.db2.gz FKNVZFZTCFWIGE-LLVKDONJSA-N 1 2 236.271 1.598 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1[nH]ccc1C ZINC000336581000 175376123 /nfs/dbraw/zinc/37/61/23/175376123.db2.gz ZIUKZQSVSXEUMN-UHFFFAOYSA-N 1 2 231.255 1.979 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cccn1C ZINC000335710410 175376166 /nfs/dbraw/zinc/37/61/66/175376166.db2.gz BFLFLLAYOUMYIV-UHFFFAOYSA-N 1 2 231.255 1.681 20 0 BDADLO COc1cncc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000289143016 175385679 /nfs/dbraw/zinc/38/56/79/175385679.db2.gz FTSOUIDHCQDNPH-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1 ZINC000375610518 175399510 /nfs/dbraw/zinc/39/95/10/175399510.db2.gz GMXDLKQSAGRSQS-TXEJJXNPSA-N 1 2 249.314 1.157 20 0 BDADLO COc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1 ZINC000375610518 175399511 /nfs/dbraw/zinc/39/95/11/175399511.db2.gz GMXDLKQSAGRSQS-TXEJJXNPSA-N 1 2 249.314 1.157 20 0 BDADLO COc1nccc(CNc2c[nH+]ccc2C)n1 ZINC000295575106 175403665 /nfs/dbraw/zinc/40/36/65/175403665.db2.gz DHVSXHSXOPYRJD-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccccn1 ZINC000181809256 175906804 /nfs/dbraw/zinc/90/68/04/175906804.db2.gz UWZKXQCFOHBVTH-SECBINFHSA-N 1 2 229.287 1.305 20 0 BDADLO C[C@@H](O)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000340262993 175956650 /nfs/dbraw/zinc/95/66/50/175956650.db2.gz XFCKWWFKVOCPAW-SECBINFHSA-N 1 2 234.274 1.979 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NCC1CC1 ZINC000179139310 176029705 /nfs/dbraw/zinc/02/97/05/176029705.db2.gz DARYTPIUZQSVLQ-NSHDSACASA-N 1 2 247.342 1.601 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NCC1CC1 ZINC000179139310 176029707 /nfs/dbraw/zinc/02/97/07/176029707.db2.gz DARYTPIUZQSVLQ-NSHDSACASA-N 1 2 247.342 1.601 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+](C)Cc1cccs1 ZINC000276387368 176040256 /nfs/dbraw/zinc/04/02/56/176040256.db2.gz ZJCOMKKKSYUXDD-QMMMGPOBSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+](C)Cc1cccs1 ZINC000276387368 176040258 /nfs/dbraw/zinc/04/02/58/176040258.db2.gz ZJCOMKKKSYUXDD-QMMMGPOBSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000125286938 176092161 /nfs/dbraw/zinc/09/21/61/176092161.db2.gz RCMXIRYFIRTRMS-GFCCVEGCSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000363212734 176093990 /nfs/dbraw/zinc/09/39/90/176093990.db2.gz XSKIYQXXFSQRMW-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000336081543 176113843 /nfs/dbraw/zinc/11/38/43/176113843.db2.gz CBUAVTRENJXPLR-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000336081543 176113844 /nfs/dbraw/zinc/11/38/44/176113844.db2.gz CBUAVTRENJXPLR-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)[C@@H]1C ZINC000336764606 176124193 /nfs/dbraw/zinc/12/41/93/176124193.db2.gz QHFPCWIGCHKWRC-FXPVBKGRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)[C@@H]1C ZINC000336764606 176124194 /nfs/dbraw/zinc/12/41/94/176124194.db2.gz QHFPCWIGCHKWRC-FXPVBKGRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336292246 176126005 /nfs/dbraw/zinc/12/60/05/176126005.db2.gz ULRAQKPEKIGCQU-PWSUYJOCSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000336389638 176126244 /nfs/dbraw/zinc/12/62/44/176126244.db2.gz KSODECNHFJRRBG-MNOVXSKESA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000185886513 176147725 /nfs/dbraw/zinc/14/77/25/176147725.db2.gz KELIOBHSXLSJFP-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000227849520 176182268 /nfs/dbraw/zinc/18/22/68/176182268.db2.gz UIBZXNCNVWSKOJ-ZCFIWIBFSA-N 1 2 212.684 1.558 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C)n2)[C@H](C(N)=O)C1 ZINC000336415956 176176600 /nfs/dbraw/zinc/17/66/00/176176600.db2.gz UUYAKHGZVQKXAD-KOLCDFICSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)[C@H](C(N)=O)C1 ZINC000336415956 176176601 /nfs/dbraw/zinc/17/66/01/176176601.db2.gz UUYAKHGZVQKXAD-KOLCDFICSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000227849520 176182267 /nfs/dbraw/zinc/18/22/67/176182267.db2.gz UIBZXNCNVWSKOJ-ZCFIWIBFSA-N 1 2 212.684 1.558 20 0 BDADLO C[C@@H]1CCO[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000134048588 176192421 /nfs/dbraw/zinc/19/24/21/176192421.db2.gz ZIYSVVFTKBMRPF-XCBNKYQSSA-N 1 2 222.244 1.151 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000129628123 176200920 /nfs/dbraw/zinc/20/09/20/176200920.db2.gz FHNAZGPHBREOTM-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCC(F)(F)C2)O1 ZINC000336624997 176223652 /nfs/dbraw/zinc/22/36/52/176223652.db2.gz PEKROQPZQOKKER-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCC(F)(F)C2)O1 ZINC000336624997 176223653 /nfs/dbraw/zinc/22/36/53/176223653.db2.gz PEKROQPZQOKKER-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ncn(C)n1 ZINC000309533118 176227447 /nfs/dbraw/zinc/22/74/47/176227447.db2.gz DPSIGNFRWXRMCF-OPRDCNLKSA-N 1 2 224.308 1.033 20 0 BDADLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000294054628 176246275 /nfs/dbraw/zinc/24/62/75/176246275.db2.gz KRWDTUDIXLNCAA-NXEZZACHSA-N 1 2 207.277 1.140 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000289055135 176246603 /nfs/dbraw/zinc/24/66/03/176246603.db2.gz CFBDKKSMTLSJCZ-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000333699234 176252155 /nfs/dbraw/zinc/25/21/55/176252155.db2.gz DBPLNGSTXCPOJP-OPRDCNLKSA-N 1 2 248.330 1.317 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000333699234 176252157 /nfs/dbraw/zinc/25/21/57/176252157.db2.gz DBPLNGSTXCPOJP-OPRDCNLKSA-N 1 2 248.330 1.317 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCC[C@H]2C(F)F)CCO1 ZINC000353185237 176290563 /nfs/dbraw/zinc/29/05/63/176290563.db2.gz BWEYTZYWMXILJN-MNOVXSKESA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCC[C@H]2C(F)F)CCO1 ZINC000353185237 176290564 /nfs/dbraw/zinc/29/05/64/176290564.db2.gz BWEYTZYWMXILJN-MNOVXSKESA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H](C)S1=O ZINC000362070005 176297114 /nfs/dbraw/zinc/29/71/14/176297114.db2.gz VVAOCDDUMCIFFU-UTUOFQBUSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2)CC(=O)N1 ZINC000295076011 176306051 /nfs/dbraw/zinc/30/60/51/176306051.db2.gz RLRQHXWZGBNNNF-SECBINFHSA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC(=O)N1 ZINC000295076011 176306054 /nfs/dbraw/zinc/30/60/54/176306054.db2.gz RLRQHXWZGBNNNF-SECBINFHSA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@H](C)CO1 ZINC000271072871 176309287 /nfs/dbraw/zinc/30/92/87/176309287.db2.gz OWTBPXBYRVPKPP-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@H](C)CO1 ZINC000271072871 176309288 /nfs/dbraw/zinc/30/92/88/176309288.db2.gz OWTBPXBYRVPKPP-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)CCCO1 ZINC000170766627 176311339 /nfs/dbraw/zinc/31/13/39/176311339.db2.gz BJXLMGHQDJPGCI-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)CCCO1 ZINC000170766627 176311340 /nfs/dbraw/zinc/31/13/40/176311340.db2.gz BJXLMGHQDJPGCI-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)s2)CC[C@@H]1O ZINC000335833879 176311916 /nfs/dbraw/zinc/31/19/16/176311916.db2.gz KWOCFRLVDYQZSH-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)CC[C@@H]1O ZINC000335833879 176311917 /nfs/dbraw/zinc/31/19/17/176311917.db2.gz KWOCFRLVDYQZSH-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1COCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000338256512 176333125 /nfs/dbraw/zinc/33/31/25/176333125.db2.gz SNVRXURTLVHXFL-JTQLQIEISA-N 1 2 233.315 1.827 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)COc2cc[nH+]cc2)C1 ZINC000276477535 176360283 /nfs/dbraw/zinc/36/02/83/176360283.db2.gz RBTDEOQMLBBILC-VXGBXAGGSA-N 1 2 248.326 1.965 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344973 176382558 /nfs/dbraw/zinc/38/25/58/176382558.db2.gz UACOWKOTLXPYEY-NXEZZACHSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344973 176382560 /nfs/dbraw/zinc/38/25/60/176382560.db2.gz UACOWKOTLXPYEY-NXEZZACHSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1C[C@@H]1N1C[C@H](Nc2cccc[nH+]2)CC1=O ZINC000374168574 176398741 /nfs/dbraw/zinc/39/87/41/176398741.db2.gz YRBXTEGMHCLSLZ-MXWKQRLJSA-N 1 2 231.299 1.503 20 0 BDADLO C[C@H](CCO)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000372116087 176631795 /nfs/dbraw/zinc/63/17/95/176631795.db2.gz LTLZKHCBLQAATL-LLVKDONJSA-N 1 2 246.314 1.120 20 0 BDADLO C[C@H](CNC(=O)c1ccccc1)Cn1cc[nH+]c1 ZINC000059495140 176677369 /nfs/dbraw/zinc/67/73/69/176677369.db2.gz BAVZGCMOAQPHAA-GFCCVEGCSA-N 1 2 243.310 1.949 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)Cc1nccc(N)n1 ZINC000093236520 177045270 /nfs/dbraw/zinc/04/52/70/177045270.db2.gz WOXLLCZTLUNUOY-SNVBAGLBSA-N 1 2 243.314 1.647 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1nccc(N)n1 ZINC000093236520 177045271 /nfs/dbraw/zinc/04/52/71/177045271.db2.gz WOXLLCZTLUNUOY-SNVBAGLBSA-N 1 2 243.314 1.647 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)Cc1cnnn1C ZINC000131035354 177047085 /nfs/dbraw/zinc/04/70/85/177047085.db2.gz MBVUXXKRSNMQKT-SECBINFHSA-N 1 2 220.276 1.601 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cnnn1C ZINC000131035354 177047088 /nfs/dbraw/zinc/04/70/88/177047088.db2.gz MBVUXXKRSNMQKT-SECBINFHSA-N 1 2 220.276 1.601 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336530120 177073252 /nfs/dbraw/zinc/07/32/52/177073252.db2.gz ZLRJCNRNZVWKMT-DTWKUNHWSA-N 1 2 232.274 1.385 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287794113 177092316 /nfs/dbraw/zinc/09/23/16/177092316.db2.gz WDXWIAZLYGASAE-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000336081545 177113720 /nfs/dbraw/zinc/11/37/20/177113720.db2.gz CBUAVTRENJXPLR-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000336081545 177113722 /nfs/dbraw/zinc/11/37/22/177113722.db2.gz CBUAVTRENJXPLR-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283625869 177124120 /nfs/dbraw/zinc/12/41/20/177124120.db2.gz BBNJXMPSWSGYDN-IYZHVSIOSA-N 1 2 219.288 1.728 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000264331279 177140903 /nfs/dbraw/zinc/14/09/03/177140903.db2.gz XBKYAZVUIAJIPB-WDEREUQCSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000123382956 177146086 /nfs/dbraw/zinc/14/60/86/177146086.db2.gz KTBCPDCDBWAAIR-JQWIXIFHSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000267766542 177147004 /nfs/dbraw/zinc/14/70/04/177147004.db2.gz SGEATFUARYCXFI-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO C[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000263754002 177149810 /nfs/dbraw/zinc/14/98/10/177149810.db2.gz VBKXUKQIHDMJBH-NSHDSACASA-N 1 2 236.319 1.325 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)[C@@H]1CO ZINC000276089261 177172288 /nfs/dbraw/zinc/17/22/88/177172288.db2.gz VUKZLHNMOFSEFM-IINYFYTJSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@H]1CCOCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301978626 177177150 /nfs/dbraw/zinc/17/71/50/177177150.db2.gz FHSQFQNNFCEMBC-JTQLQIEISA-N 1 2 233.315 1.969 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCCNc2cccc[nH+]2)O1 ZINC000331089256 177181222 /nfs/dbraw/zinc/18/12/22/177181222.db2.gz TUYREAKBEXNSHD-QWRGUYRKSA-N 1 2 249.314 1.177 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000123461658 177186281 /nfs/dbraw/zinc/18/62/81/177186281.db2.gz IZVXFFBVBHSWJR-AOOOYVTPSA-N 1 2 246.314 1.395 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000123461658 177186282 /nfs/dbraw/zinc/18/62/82/177186282.db2.gz IZVXFFBVBHSWJR-AOOOYVTPSA-N 1 2 246.314 1.395 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357697506 177202302 /nfs/dbraw/zinc/20/23/02/177202302.db2.gz UKAYITDFJCSEII-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CC[C@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357178730 177202844 /nfs/dbraw/zinc/20/28/44/177202844.db2.gz AEUNOLLMWNVZBH-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000237533218 177225649 /nfs/dbraw/zinc/22/56/49/177225649.db2.gz IUXVSYXEOGQNOD-DTWKUNHWSA-N 1 2 248.330 1.110 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1nccs1 ZINC000293527373 177243352 /nfs/dbraw/zinc/24/33/52/177243352.db2.gz WPYFESZOPXRCDP-JGVFFNPUSA-N 1 2 225.317 1.422 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1nccs1 ZINC000293527373 177243353 /nfs/dbraw/zinc/24/33/53/177243353.db2.gz WPYFESZOPXRCDP-JGVFFNPUSA-N 1 2 225.317 1.422 20 0 BDADLO C[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000308848468 177258899 /nfs/dbraw/zinc/25/88/99/177258899.db2.gz QHVDYEUBTVXGEG-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCO1 ZINC000308848468 177258900 /nfs/dbraw/zinc/25/89/00/177258900.db2.gz QHVDYEUBTVXGEG-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCC1=O ZINC000307944729 177259839 /nfs/dbraw/zinc/25/98/39/177259839.db2.gz HHCVNKGPCZJVJM-JGVFFNPUSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCC1=O ZINC000307944729 177259841 /nfs/dbraw/zinc/25/98/41/177259841.db2.gz HHCVNKGPCZJVJM-JGVFFNPUSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2F)C[C@H](CO)O1 ZINC000191776673 177266809 /nfs/dbraw/zinc/26/68/09/177266809.db2.gz NRSWCBHKHJLXEY-CMPLNLGQSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@H](CO)O1 ZINC000191776673 177266810 /nfs/dbraw/zinc/26/68/10/177266810.db2.gz NRSWCBHKHJLXEY-CMPLNLGQSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000179867205 177269465 /nfs/dbraw/zinc/26/94/65/177269465.db2.gz KYGPMOUHQRMTIG-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000179867205 177269466 /nfs/dbraw/zinc/26/94/66/177269466.db2.gz KYGPMOUHQRMTIG-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(=O)[nH][nH]2)[C@H]1c1ccccc1 ZINC000271624288 177271234 /nfs/dbraw/zinc/27/12/34/177271234.db2.gz NJQIDJPICVJCQA-JOYOIKCWSA-N 1 2 244.298 1.291 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(=O)[nH][nH]2)[C@H]1c1ccccc1 ZINC000271624288 177271236 /nfs/dbraw/zinc/27/12/36/177271236.db2.gz NJQIDJPICVJCQA-JOYOIKCWSA-N 1 2 244.298 1.291 20 0 BDADLO C[C@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@@H]1CO ZINC000362071244 177272543 /nfs/dbraw/zinc/27/25/43/177272543.db2.gz IGITULMSSUKZHB-WCBMZHEXSA-N 1 2 237.303 1.007 20 0 BDADLO C[C@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@@H]1CO ZINC000362071244 177272547 /nfs/dbraw/zinc/27/25/47/177272547.db2.gz IGITULMSSUKZHB-WCBMZHEXSA-N 1 2 237.303 1.007 20 0 BDADLO C[C@H](CNC(=O)C[C@@H]1C[C@@H]1C)Cn1cc[nH+]c1 ZINC000362818967 177378744 /nfs/dbraw/zinc/37/87/44/177378744.db2.gz WNZYIZQVQNFJRZ-WOPDTQHZSA-N 1 2 235.331 1.682 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271707359 177380422 /nfs/dbraw/zinc/38/04/22/177380422.db2.gz NRKOJAGVPJHLLN-UWVGGRQHSA-N 1 2 236.319 1.218 20 0 BDADLO C[C@H]1[N@H+](C[C@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026946 177392517 /nfs/dbraw/zinc/39/25/17/177392517.db2.gz GRMSEQRGCAHKAR-SFYZADRCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1[N@@H+](C[C@H](O)C(F)(F)F)CCOC1(C)C ZINC000336026946 177392520 /nfs/dbraw/zinc/39/25/20/177392520.db2.gz GRMSEQRGCAHKAR-SFYZADRCSA-N 1 2 241.253 1.409 20 0 BDADLO CO[C@@H]1C[NH+]([C@@H](C)c2ncc(C)o2)C[C@H]1OC ZINC000487963026 225337128 /nfs/dbraw/zinc/33/71/28/225337128.db2.gz ZPLKIQJVRLVSAQ-HBNTYKKESA-N 1 2 240.303 1.390 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(CO)CCCC1 ZINC000492764980 226048658 /nfs/dbraw/zinc/04/86/58/226048658.db2.gz LOWYCQLQCVGEPM-ARJAWSKDSA-N 1 2 249.314 1.092 20 0 BDADLO COc1cccnc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808528 226057153 /nfs/dbraw/zinc/05/71/53/226057153.db2.gz CZSQPBVWKTVWNA-SNAWJCMRSA-N 1 2 244.254 1.465 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492814576 226058848 /nfs/dbraw/zinc/05/88/48/226058848.db2.gz URLXSMYMYXZGFP-LTFJCZIQSA-N 1 2 235.287 1.107 20 0 BDADLO Cc1cncc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492812651 226059297 /nfs/dbraw/zinc/05/92/97/226059297.db2.gz NHIKUAAEULJSPD-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC1(C)C ZINC000492827226 226062020 /nfs/dbraw/zinc/06/20/20/226062020.db2.gz WQEGRJDKJKKVAT-UMCURTJPSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccon1 ZINC000492856255 226066505 /nfs/dbraw/zinc/06/65/05/226066505.db2.gz BJKMUVNCBZBECH-YAJNLLPGSA-N 1 2 232.243 1.288 20 0 BDADLO C[C@]1(CO)CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492865060 226070075 /nfs/dbraw/zinc/07/00/75/226070075.db2.gz OBTMPFGHQYAPAW-FTGSRHIXSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC12CCC2 ZINC000492867426 226071582 /nfs/dbraw/zinc/07/15/82/226071582.db2.gz ROBYGACRCMYSDW-NSCUHMNNSA-N 1 2 217.272 1.578 20 0 BDADLO COC1(C)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492902059 226079540 /nfs/dbraw/zinc/07/95/40/226079540.db2.gz QIMWUXNPONPMPA-ONEGZZNKSA-N 1 2 249.314 1.450 20 0 BDADLO O=C(/C=C\c1cncs1)NCCc1[nH]cc[nH+]1 ZINC000492982792 226097501 /nfs/dbraw/zinc/09/75/01/226097501.db2.gz GPWFLFJTQITOGA-UPHRSURJSA-N 1 2 248.311 1.238 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CC12CC2 ZINC000493318191 226184037 /nfs/dbraw/zinc/18/40/37/226184037.db2.gz JTQPHIGFKHYAMZ-JKERVTFKSA-N 1 2 217.272 1.339 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1F ZINC000493329993 226188263 /nfs/dbraw/zinc/18/82/63/226188263.db2.gz XMYFODVLIGHAPE-VJIGKBMESA-N 1 2 223.251 1.430 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC[C@@H]1CCCCO1 ZINC000493071207 226118580 /nfs/dbraw/zinc/11/85/80/226118580.db2.gz OBDSDKCBXOQHOR-ZWNMCFTASA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000493456152 226221851 /nfs/dbraw/zinc/22/18/51/226221851.db2.gz OMRKIDMGVNHUJG-DREQKGALSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H]1COC[C@H](C)N1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493477885 226227385 /nfs/dbraw/zinc/22/73/85/226227385.db2.gz BOOIVJCBMZPYNC-BZDJSAGESA-N 1 2 235.287 1.059 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CC1(C)C ZINC000493545044 226241769 /nfs/dbraw/zinc/24/17/69/226241769.db2.gz CMRNADRKSAQCSA-MOVJSRMASA-N 1 2 219.288 1.680 20 0 BDADLO CCn1cc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493583189 226244408 /nfs/dbraw/zinc/24/44/08/226244408.db2.gz GDUKDZUJYMICKR-ARJAWSKDSA-N 1 2 231.259 1.278 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCCOCC1 ZINC000493611284 226245733 /nfs/dbraw/zinc/24/57/33/226245733.db2.gz LUVUJPHORJOTQW-FSIBCCDJSA-N 1 2 235.287 1.108 20 0 BDADLO COC(C)(C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493667850 226248593 /nfs/dbraw/zinc/24/85/93/226248593.db2.gz XWYQWJIDZGRLIK-AATRIKPKSA-N 1 2 237.303 1.306 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1cncs1 ZINC000493681143 226248956 /nfs/dbraw/zinc/24/89/56/226248956.db2.gz BYIYEGZMWBYRMZ-IHWYPQMZSA-N 1 2 245.307 1.920 20 0 BDADLO Cc1ccoc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493687152 226249292 /nfs/dbraw/zinc/24/92/92/226249292.db2.gz HANPAIXFXXMRSD-IHWYPQMZSA-N 1 2 231.255 1.641 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CC(F)(F)C1 ZINC000493779433 226253799 /nfs/dbraw/zinc/25/37/99/226253799.db2.gz CJBZQGKBVZZPKM-UPHRSURJSA-N 1 2 241.241 1.584 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC12CCOCC2 ZINC000493867105 226258244 /nfs/dbraw/zinc/25/82/44/226258244.db2.gz FJAMZXLBYNMHAS-YOLVWIGZSA-N 1 2 247.298 1.108 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)OCCCF ZINC000496558016 226308233 /nfs/dbraw/zinc/30/82/33/226308233.db2.gz FDUZGGHYBWHVOM-VIFPVBQESA-N 1 2 229.255 1.357 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2NC(=O)O[C@H]2C)c(C)[nH+]1 ZINC000496628319 226310219 /nfs/dbraw/zinc/31/02/19/226310219.db2.gz VEWROVIQJPNWMH-WCBMZHEXSA-N 1 2 249.270 1.134 20 0 BDADLO CO[C@@H](CSc1nc(N)cc(C)[nH+]1)C1CC1 ZINC000400128294 226332739 /nfs/dbraw/zinc/33/27/39/226332739.db2.gz DZUOGZULXWKZKY-VIFPVBQESA-N 1 2 239.344 1.715 20 0 BDADLO C[C@H](C[NH+]1CC2(C1)CNC(=O)O2)c1ccccc1 ZINC000496201243 226299106 /nfs/dbraw/zinc/29/91/06/226299106.db2.gz TYKTVGRBMUDNSV-LLVKDONJSA-N 1 2 246.310 1.584 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000665866172 487650655 /nfs/dbraw/zinc/65/06/55/487650655.db2.gz DWOQBZXVIUOZRA-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000665866172 487650659 /nfs/dbraw/zinc/65/06/59/487650659.db2.gz DWOQBZXVIUOZRA-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1nc(N2CCC3(CC3)C2)nc(N(C)C)[nH+]1 ZINC000672275486 487652352 /nfs/dbraw/zinc/65/23/52/487652352.db2.gz RYORSDXAPXZEFU-UHFFFAOYSA-N 1 2 233.319 1.236 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC3(CC3)C2)[nH+]1 ZINC000672275486 487652355 /nfs/dbraw/zinc/65/23/55/487652355.db2.gz RYORSDXAPXZEFU-UHFFFAOYSA-N 1 2 233.319 1.236 20 0 BDADLO O[C@H](C[NH+]1CC2(C1)CC(F)(F)C2)C(F)(F)F ZINC000680863960 487660535 /nfs/dbraw/zinc/66/05/35/487660535.db2.gz BKRGAVNPJCKHOE-ZCFIWIBFSA-N 1 2 245.191 1.641 20 0 BDADLO Cc1cc(C)c(CNC(=O)NC/C=C/CO)c[nH+]1 ZINC000665065646 487661280 /nfs/dbraw/zinc/66/12/80/487661280.db2.gz HHXWBZKUOMLMQO-ONEGZZNKSA-N 1 2 249.314 1.046 20 0 BDADLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000606451828 487676377 /nfs/dbraw/zinc/67/63/77/487676377.db2.gz BUHXZUSAOQWJPS-QMMMGPOBSA-N 1 2 241.316 1.050 20 0 BDADLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccon1 ZINC000606451828 487676379 /nfs/dbraw/zinc/67/63/79/487676379.db2.gz BUHXZUSAOQWJPS-QMMMGPOBSA-N 1 2 241.316 1.050 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1cc2c(nn1)CCC2 ZINC000678062720 487677305 /nfs/dbraw/zinc/67/73/05/487677305.db2.gz AIRRPEUSRILSIQ-UHFFFAOYSA-N 1 2 243.314 1.335 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CF)C2)ccn1 ZINC000527538155 262855611 /nfs/dbraw/zinc/85/56/11/262855611.db2.gz BRFBSBNRQJMKTJ-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CF)C2)ccn1 ZINC000527538155 262855612 /nfs/dbraw/zinc/85/56/12/262855612.db2.gz BRFBSBNRQJMKTJ-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)OC ZINC000398046343 262942534 /nfs/dbraw/zinc/94/25/34/262942534.db2.gz BJCGJZQMPPFDKP-UTUOFQBUSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1nonc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528772846 262973248 /nfs/dbraw/zinc/97/32/48/262973248.db2.gz ZTKBFDPSVDXGPU-SSDOTTSWSA-N 1 2 231.246 1.998 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528772846 262973250 /nfs/dbraw/zinc/97/32/50/262973250.db2.gz ZTKBFDPSVDXGPU-SSDOTTSWSA-N 1 2 231.246 1.998 20 0 BDADLO CCc1cnc(C[NH+]2CCC(C)(O)CC2)o1 ZINC000675315759 487701264 /nfs/dbraw/zinc/70/12/64/487701264.db2.gz RRUBTVFXNLZUSY-UHFFFAOYSA-N 1 2 224.304 1.584 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671710226 487702205 /nfs/dbraw/zinc/70/22/05/487702205.db2.gz YXICZUJQYDYHPI-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671710226 487702211 /nfs/dbraw/zinc/70/22/11/487702211.db2.gz YXICZUJQYDYHPI-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000683919989 487715090 /nfs/dbraw/zinc/71/50/90/487715090.db2.gz HSUAUVUBPKLXAF-NXEZZACHSA-N 1 2 235.331 1.802 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000681097956 487722044 /nfs/dbraw/zinc/72/20/44/487722044.db2.gz UMBJUOWYKAMPGI-SRVKXCTJSA-N 1 2 245.326 1.433 20 0 BDADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C/C=C/Cl ZINC000733614464 584951235 /nfs/dbraw/zinc/95/12/35/584951235.db2.gz PCBGSXZITLGUMZ-RKWMXMRGSA-N 1 2 239.768 1.492 20 0 BDADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C/Cl ZINC000733614464 584951236 /nfs/dbraw/zinc/95/12/36/584951236.db2.gz PCBGSXZITLGUMZ-RKWMXMRGSA-N 1 2 239.768 1.492 20 0 BDADLO c1nc(N2C[C@H]3CC[C@@H](C2)O3)cc(NC2CC2)[nH+]1 ZINC000665704177 487734160 /nfs/dbraw/zinc/73/41/60/487734160.db2.gz DKYNBHXLLKSGAV-PHIMTYICSA-N 1 2 246.314 1.419 20 0 BDADLO c1nc(NC2CC2)cc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000665704177 487734163 /nfs/dbraw/zinc/73/41/63/487734163.db2.gz DKYNBHXLLKSGAV-PHIMTYICSA-N 1 2 246.314 1.419 20 0 BDADLO CC1(C)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665703701 487735187 /nfs/dbraw/zinc/73/51/87/487735187.db2.gz RZUSONBTQLXWMI-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO CC1(C)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665703701 487735189 /nfs/dbraw/zinc/73/51/89/487735189.db2.gz RZUSONBTQLXWMI-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO OCC1(CNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000665704576 487736045 /nfs/dbraw/zinc/73/60/45/487736045.db2.gz LTBLNHFJDJSRII-UHFFFAOYSA-N 1 2 234.303 1.235 20 0 BDADLO OCC1(CNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000665704576 487736051 /nfs/dbraw/zinc/73/60/51/487736051.db2.gz LTBLNHFJDJSRII-UHFFFAOYSA-N 1 2 234.303 1.235 20 0 BDADLO CC1(CNc2[nH+]cnc3c2OCCN3)CCC1 ZINC000665705349 487735910 /nfs/dbraw/zinc/73/59/10/487735910.db2.gz MITWSFQNKPBBRY-UHFFFAOYSA-N 1 2 234.303 1.883 20 0 BDADLO CC1(CNc2nc[nH+]c3c2OCCN3)CCC1 ZINC000665705349 487735913 /nfs/dbraw/zinc/73/59/13/487735913.db2.gz MITWSFQNKPBBRY-UHFFFAOYSA-N 1 2 234.303 1.883 20 0 BDADLO CC[C@@]1(C)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665706177 487736478 /nfs/dbraw/zinc/73/64/78/487736478.db2.gz CKLNYKYPRUPZHN-ZDUSSCGKSA-N 1 2 248.330 1.907 20 0 BDADLO CC[C@@]1(C)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665706177 487736482 /nfs/dbraw/zinc/73/64/82/487736482.db2.gz CKLNYKYPRUPZHN-ZDUSSCGKSA-N 1 2 248.330 1.907 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncnn2C(C)C)cn1 ZINC000088591789 487736622 /nfs/dbraw/zinc/73/66/22/487736622.db2.gz JFDXEENXJMHXJM-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]cc2N(C)C)co1 ZINC000670215805 487755447 /nfs/dbraw/zinc/75/54/47/487755447.db2.gz BPSUXVIVVAGUFK-UHFFFAOYSA-N 1 2 246.270 1.118 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2cocn2)n1 ZINC000675640806 487758280 /nfs/dbraw/zinc/75/82/80/487758280.db2.gz FROZFHHSIRYLCP-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792539 487763579 /nfs/dbraw/zinc/76/35/79/487763579.db2.gz QEBNSBGXDQLILM-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCc2c[nH]nc2C1 ZINC000676792539 487763585 /nfs/dbraw/zinc/76/35/85/487763585.db2.gz QEBNSBGXDQLILM-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000668448589 487770543 /nfs/dbraw/zinc/77/05/43/487770543.db2.gz RKKCSFHDLFIVJY-UWVGGRQHSA-N 1 2 237.303 1.183 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000759874379 585382212 /nfs/dbraw/zinc/38/22/12/585382212.db2.gz IUXHPXUWPHGEOF-ZUZCIYMTSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000759874379 585382213 /nfs/dbraw/zinc/38/22/13/585382213.db2.gz IUXHPXUWPHGEOF-ZUZCIYMTSA-N 1 2 231.361 1.199 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000681369106 487786577 /nfs/dbraw/zinc/78/65/77/487786577.db2.gz IQZWSGDOPLRPIW-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226982 487789402 /nfs/dbraw/zinc/78/94/02/487789402.db2.gz WHFJORGZBWSCKY-QWRGUYRKSA-N 1 2 244.354 1.971 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679226982 487789410 /nfs/dbraw/zinc/78/94/10/487789410.db2.gz WHFJORGZBWSCKY-QWRGUYRKSA-N 1 2 244.354 1.971 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(C)nc1C ZINC000681398911 487791619 /nfs/dbraw/zinc/79/16/19/487791619.db2.gz GXHPQWKOSUYVCG-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(C)nc1C ZINC000681398911 487791625 /nfs/dbraw/zinc/79/16/25/487791625.db2.gz GXHPQWKOSUYVCG-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000684208760 487793277 /nfs/dbraw/zinc/79/32/77/487793277.db2.gz RETRUILTVFVUDW-OCAPTIKFSA-N 1 2 247.302 1.052 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000684208760 487793281 /nfs/dbraw/zinc/79/32/81/487793281.db2.gz RETRUILTVFVUDW-OCAPTIKFSA-N 1 2 247.302 1.052 20 0 BDADLO COCCC1C[NH+](Cc2c(Cl)cnn2C)C1 ZINC000668473461 487798731 /nfs/dbraw/zinc/79/87/31/487798731.db2.gz UWVYLJSCCDGTSH-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO Cc1cnc(CN[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000234317829 487799223 /nfs/dbraw/zinc/79/92/23/487799223.db2.gz AWTXIIRXCIEVHU-SNVBAGLBSA-N 1 2 225.361 1.635 20 0 BDADLO Cc1cnc(CN[C@@H]2CCC[N@H+](C)C2)s1 ZINC000234317829 487799228 /nfs/dbraw/zinc/79/92/28/487799228.db2.gz AWTXIIRXCIEVHU-SNVBAGLBSA-N 1 2 225.361 1.635 20 0 BDADLO Cc1cnc(CN[C@H]2CCC[N@@H+](C)C2)s1 ZINC000234325611 487800556 /nfs/dbraw/zinc/80/05/56/487800556.db2.gz AWTXIIRXCIEVHU-JTQLQIEISA-N 1 2 225.361 1.635 20 0 BDADLO Cc1cnc(CN[C@H]2CCC[N@H+](C)C2)s1 ZINC000234325611 487800565 /nfs/dbraw/zinc/80/05/65/487800565.db2.gz AWTXIIRXCIEVHU-JTQLQIEISA-N 1 2 225.361 1.635 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2c[nH+]c[nH]2)nn1C ZINC000666419965 487804270 /nfs/dbraw/zinc/80/42/70/487804270.db2.gz QGHHAMGRUHBLCA-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2c[nH]c[nH+]2)nn1C ZINC000666419965 487804275 /nfs/dbraw/zinc/80/42/75/487804275.db2.gz QGHHAMGRUHBLCA-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ncn(C)n1 ZINC000668029288 487804312 /nfs/dbraw/zinc/80/43/12/487804312.db2.gz SVOPOAVOQBCIMD-LSJOCFKGSA-N 1 2 236.319 1.033 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000668952937 487806653 /nfs/dbraw/zinc/80/66/53/487806653.db2.gz IWOMXROVRBWBNH-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000668952937 487806657 /nfs/dbraw/zinc/80/66/57/487806657.db2.gz IWOMXROVRBWBNH-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO Cc1nc(N2CCC[C@H]2C2CC2)nc(N(C)C)[nH+]1 ZINC000676079438 487810675 /nfs/dbraw/zinc/81/06/75/487810675.db2.gz RNNNVEYRIMEKLF-NSHDSACASA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H]2C2CC2)[nH+]1 ZINC000676079438 487810679 /nfs/dbraw/zinc/81/06/79/487810679.db2.gz RNNNVEYRIMEKLF-NSHDSACASA-N 1 2 247.346 1.625 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC1(C)C ZINC000666449666 487811317 /nfs/dbraw/zinc/81/13/17/487811317.db2.gz HFDLLAIKHKZKJY-WDEREUQCSA-N 1 2 235.331 1.824 20 0 BDADLO Cn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000199047046 487811330 /nfs/dbraw/zinc/81/13/30/487811330.db2.gz OHADAYGVKSISDD-GFCCVEGCSA-N 1 2 243.310 1.337 20 0 BDADLO Cn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000199047046 487811333 /nfs/dbraw/zinc/81/13/33/487811333.db2.gz OHADAYGVKSISDD-GFCCVEGCSA-N 1 2 243.310 1.337 20 0 BDADLO CCc1nocc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000666449286 487811391 /nfs/dbraw/zinc/81/13/91/487811391.db2.gz AYRGTJFXTHLOFL-VIFPVBQESA-N 1 2 248.286 1.252 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCF ZINC000666450376 487813338 /nfs/dbraw/zinc/81/33/38/487813338.db2.gz OVNWDDNAXGHORP-VIFPVBQESA-N 1 2 213.256 1.138 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681553481 487815096 /nfs/dbraw/zinc/81/50/96/487815096.db2.gz CYTYCXVTYITVCY-SNVBAGLBSA-N 1 2 231.299 1.280 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1coc(C2CC2)n1 ZINC000681591181 487818272 /nfs/dbraw/zinc/81/82/72/487818272.db2.gz DILFPZYOGBSBLU-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)Nc2cc[nH+]cc2C)C1 ZINC000666493520 487820519 /nfs/dbraw/zinc/82/05/19/487820519.db2.gz HBPOLQVTOQOJEL-XYPYZODXSA-N 1 2 249.314 1.501 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)C2(CO)CC2)cc[nH+]1 ZINC000666491925 487821039 /nfs/dbraw/zinc/82/10/39/487821039.db2.gz HMUOSXPRHCNDOD-JTQLQIEISA-N 1 2 249.314 1.094 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828220 487822697 /nfs/dbraw/zinc/82/26/97/487822697.db2.gz PDXSWVTYRIXYTG-LLVKDONJSA-N 1 2 249.314 1.295 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](n3cncn3)C2)s1 ZINC000681603997 487823552 /nfs/dbraw/zinc/82/35/52/487823552.db2.gz HZPKNYSPPNTOFR-JTQLQIEISA-N 1 2 249.343 1.490 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](n3cncn3)C2)s1 ZINC000681603997 487823558 /nfs/dbraw/zinc/82/35/58/487823558.db2.gz HZPKNYSPPNTOFR-JTQLQIEISA-N 1 2 249.343 1.490 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@H](n3cncn3)C2)o1 ZINC000681604035 487823249 /nfs/dbraw/zinc/82/32/49/487823249.db2.gz KDXQXMNRBSOKIV-JTQLQIEISA-N 1 2 247.302 1.276 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@H](n3cncn3)C2)o1 ZINC000681604035 487823254 /nfs/dbraw/zinc/82/32/54/487823254.db2.gz KDXQXMNRBSOKIV-JTQLQIEISA-N 1 2 247.302 1.276 20 0 BDADLO CCOC(=O)c1nc(Cn2cc[nH+]c2)cs1 ZINC000558061416 322945674 /nfs/dbraw/zinc/94/56/74/322945674.db2.gz UWKZTCNWRQFHJZ-UHFFFAOYSA-N 1 2 237.284 1.565 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668086235 487830194 /nfs/dbraw/zinc/83/01/94/487830194.db2.gz DLFXLOZPNRAMPL-QJPTWQEYSA-N 1 2 247.342 1.925 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@H]2CCC[C@H]21 ZINC000681654045 487830746 /nfs/dbraw/zinc/83/07/46/487830746.db2.gz ZUTSKLFDRGVUBV-VXGBXAGGSA-N 1 2 248.330 1.467 20 0 BDADLO C[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@@H](C)C1(F)F ZINC000625652741 487835667 /nfs/dbraw/zinc/83/56/67/487835667.db2.gz GCHAYYGGKZANQC-RKDXNWHRSA-N 1 2 244.289 1.538 20 0 BDADLO Cc1[nH]c(C(=O)NC(C)(C)C(F)F)c[nH+]1 ZINC000684342365 487838632 /nfs/dbraw/zinc/83/86/32/487838632.db2.gz YSFBFTKDRCBKKT-UHFFFAOYSA-N 1 2 217.219 1.492 20 0 BDADLO CO[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CCCC1 ZINC000668995064 487842367 /nfs/dbraw/zinc/84/23/67/487842367.db2.gz GBADYCCHHNTDPQ-NSHDSACASA-N 1 2 237.303 1.231 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CC2(CC2)C1 ZINC000668996175 487844895 /nfs/dbraw/zinc/84/48/95/487844895.db2.gz WBTDFQRXMGQHQI-UHFFFAOYSA-N 1 2 205.261 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CC2(CC2)C1 ZINC000668996175 487844900 /nfs/dbraw/zinc/84/49/00/487844900.db2.gz WBTDFQRXMGQHQI-UHFFFAOYSA-N 1 2 205.261 1.216 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCCO1 ZINC000651856321 487846190 /nfs/dbraw/zinc/84/61/90/487846190.db2.gz ARKNBBRHCMWQSY-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO CC(C)N(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000668151872 487852735 /nfs/dbraw/zinc/85/27/35/487852735.db2.gz QYURZMFIASFPJM-JTQLQIEISA-N 1 2 247.342 1.914 20 0 BDADLO CC(C)N(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000668151872 487852741 /nfs/dbraw/zinc/85/27/41/487852741.db2.gz QYURZMFIASFPJM-JTQLQIEISA-N 1 2 247.342 1.914 20 0 BDADLO Cc1nc(N2CCC[C@H](OC(F)F)C2)cc[nH+]1 ZINC000679709360 487853899 /nfs/dbraw/zinc/85/38/99/487853899.db2.gz CDEFVLYOMAFGFM-VIFPVBQESA-N 1 2 243.257 1.993 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000558689812 322953766 /nfs/dbraw/zinc/95/37/66/322953766.db2.gz QTXOKPSXYJNHON-MBTKJCJQSA-N 1 2 229.287 1.574 20 0 BDADLO O=C(C1CC2(CCC2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000564454428 322955784 /nfs/dbraw/zinc/95/57/84/322955784.db2.gz MNWRGYXMGSAWMA-UHFFFAOYSA-N 1 2 245.326 1.847 20 0 BDADLO CCOc1ccccc1C[NH+]1CC(C)(O)C1 ZINC000084356376 487869459 /nfs/dbraw/zinc/86/94/59/487869459.db2.gz LOMFUIVCBVPNKU-UHFFFAOYSA-N 1 2 221.300 1.652 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666751741 487871630 /nfs/dbraw/zinc/87/16/30/487871630.db2.gz KOYCWWZNZYKGSG-GHMZBOCLSA-N 1 2 233.315 1.392 20 0 BDADLO COC1CCC(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000681991510 487876057 /nfs/dbraw/zinc/87/60/57/487876057.db2.gz OQKUJPLZCGCYJV-UHFFFAOYSA-N 1 2 248.326 1.956 20 0 BDADLO Cc1cc(NC(=O)c2cocn2)c(C)c[nH+]1 ZINC000676587923 487877656 /nfs/dbraw/zinc/87/76/56/487877656.db2.gz ITDDOIUKLWOECV-UHFFFAOYSA-N 1 2 217.228 1.361 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C)c[nH+]1 ZINC000676587784 487878034 /nfs/dbraw/zinc/87/80/34/487878034.db2.gz GKGRQBMRFJGVAW-OIBJUYFYSA-N 1 2 204.273 1.715 20 0 BDADLO CN(CC1(CO)CC1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000682080420 487903394 /nfs/dbraw/zinc/90/33/94/487903394.db2.gz GJNALMWUJNGQFJ-UHFFFAOYSA-N 1 2 249.358 1.983 20 0 BDADLO C[C@H](CCO)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000652962172 487908239 /nfs/dbraw/zinc/90/82/39/487908239.db2.gz GMJHOGPFZYSZPA-SNVBAGLBSA-N 1 2 247.298 1.177 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(CO)cc1 ZINC000227459964 487914623 /nfs/dbraw/zinc/91/46/23/487914623.db2.gz APRKEZPIRLIOJH-UHFFFAOYSA-N 1 2 231.299 1.500 20 0 BDADLO O=C(NCC1=CCCC1)N1CCn2c[nH+]cc2C1 ZINC000666953025 487915286 /nfs/dbraw/zinc/91/52/86/487915286.db2.gz NZAWTZOQLDZVNZ-UHFFFAOYSA-N 1 2 246.314 1.519 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccsc1 ZINC000669919451 487924138 /nfs/dbraw/zinc/92/41/38/487924138.db2.gz OEOPENNYXGTPDU-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO COc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000654514500 487932926 /nfs/dbraw/zinc/93/29/26/487932926.db2.gz DUFYSFQAGROJNQ-SECBINFHSA-N 1 2 249.270 1.303 20 0 BDADLO C[C@H](C(=O)Nc1cnoc1)[NH+]1CCSCC1 ZINC000676842675 487936266 /nfs/dbraw/zinc/93/62/66/487936266.db2.gz CVCSOQMUPCQSJL-MRVPVSSYSA-N 1 2 241.316 1.050 20 0 BDADLO CCC[C@@H](O)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000682363679 487939360 /nfs/dbraw/zinc/93/93/60/487939360.db2.gz RIRGVCGOIWYOHA-NXEZZACHSA-N 1 2 239.319 1.528 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C(F)(F)F)O1 ZINC000684618125 487947232 /nfs/dbraw/zinc/94/72/32/487947232.db2.gz JYGFFJYTEDXCJK-IONNQARKSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C(F)(F)F)O1 ZINC000684618125 487947236 /nfs/dbraw/zinc/94/72/36/487947236.db2.gz JYGFFJYTEDXCJK-IONNQARKSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CC12CC2)n1cc[nH+]c1 ZINC000652466584 487952507 /nfs/dbraw/zinc/95/25/07/487952507.db2.gz YQVLMELHYAQPTC-UWVGGRQHSA-N 1 2 219.288 1.503 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000684654586 487954185 /nfs/dbraw/zinc/95/41/85/487954185.db2.gz IDNWDQKBYWTDGH-YPMHNXCESA-N 1 2 248.326 1.580 20 0 BDADLO Cc1c[nH][nH]c1=NC(=O)Nc1cc(C)[nH+]cc1C ZINC000561353871 323000252 /nfs/dbraw/zinc/00/02/52/323000252.db2.gz DWGMQXHJPUZFRK-UHFFFAOYSA-N 1 2 245.286 1.218 20 0 BDADLO COc1nccc(CNCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000566498448 323003276 /nfs/dbraw/zinc/00/32/76/323003276.db2.gz BDUGBKKDDZYGIH-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO Cc1oncc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000129646270 323008982 /nfs/dbraw/zinc/00/89/82/323008982.db2.gz TYAPWYBIYFDZNV-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1oncc1C[N@H+](C)CCNC(=O)C(C)C ZINC000129646270 323008983 /nfs/dbraw/zinc/00/89/83/323008983.db2.gz TYAPWYBIYFDZNV-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@](C)(F)C1)n1cc[nH+]c1 ZINC000564731987 323012401 /nfs/dbraw/zinc/01/24/01/323012401.db2.gz NKSMNNPDOATONH-ZYHUDNBSSA-N 1 2 239.294 1.795 20 0 BDADLO CC1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC000562182048 323013070 /nfs/dbraw/zinc/01/30/70/323013070.db2.gz YEQCYMRHCBVQFY-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CCCOC1)c1[nH]cc[nH+]1 ZINC000566865681 323021166 /nfs/dbraw/zinc/02/11/66/323021166.db2.gz DSJCSJVZTBGYJY-SKDRFNHKSA-N 1 2 237.303 1.404 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCSC2)[nH+]1 ZINC000562615443 323025810 /nfs/dbraw/zinc/02/58/10/323025810.db2.gz IHOXDXOTTLDZGX-VIFPVBQESA-N 1 2 248.355 1.853 20 0 BDADLO COC[C@H](C)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000562670909 323027101 /nfs/dbraw/zinc/02/71/01/323027101.db2.gz YDVCECYTPDERSX-BDAKNGLRSA-N 1 2 225.279 1.217 20 0 BDADLO COC[C@H](C)C[N@H+](CC(F)F)C[C@H](C)O ZINC000562670909 323027102 /nfs/dbraw/zinc/02/71/02/323027102.db2.gz YDVCECYTPDERSX-BDAKNGLRSA-N 1 2 225.279 1.217 20 0 BDADLO CCO[C@H]1C[C@@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000562939819 323034336 /nfs/dbraw/zinc/03/43/36/323034336.db2.gz PKQIINOLGCYLBX-WPRPVWTQSA-N 1 2 243.738 1.649 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000569902175 323044034 /nfs/dbraw/zinc/04/40/34/323044034.db2.gz RNAXCVICHLNQRS-LLVKDONJSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H](O)C(C)C)[nH+]1 ZINC000569934982 323044838 /nfs/dbraw/zinc/04/48/38/323044838.db2.gz UZBIDZCLVDVFNT-VIFPVBQESA-N 1 2 239.319 1.086 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC1CCOCC1 ZINC000570029463 323047633 /nfs/dbraw/zinc/04/76/33/323047633.db2.gz SEFXZMIHRYUOIY-UHFFFAOYSA-N 1 2 247.302 1.295 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@](C)(O)C(C)C ZINC000570059114 323049023 /nfs/dbraw/zinc/04/90/23/323049023.db2.gz GEPNMBYXFIWYAW-LBPRGKRZSA-N 1 2 223.320 1.334 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCC1 ZINC000570153843 323051091 /nfs/dbraw/zinc/05/10/91/323051091.db2.gz DKISGAVUPMLPGM-NWDGAFQWSA-N 1 2 248.330 1.371 20 0 BDADLO CCO[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570218869 323053013 /nfs/dbraw/zinc/05/30/13/323053013.db2.gz CQVRCOOIYQWYGD-MRVPVSSYSA-N 1 2 225.292 1.186 20 0 BDADLO CC[C@H](C)CS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000570292944 323055561 /nfs/dbraw/zinc/05/55/61/323055561.db2.gz FTDVAOUNMWHQRD-VIFPVBQESA-N 1 2 245.348 1.217 20 0 BDADLO CC[C@H](C)CS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000570292944 323055562 /nfs/dbraw/zinc/05/55/62/323055562.db2.gz FTDVAOUNMWHQRD-VIFPVBQESA-N 1 2 245.348 1.217 20 0 BDADLO CCN(CC(F)F)C(=O)C[NH+]1CC(C)(C)C1 ZINC000570342626 323056554 /nfs/dbraw/zinc/05/65/54/323056554.db2.gz KLEWXBYOHJBLLQ-UHFFFAOYSA-N 1 2 234.290 1.442 20 0 BDADLO C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C1CC1 ZINC000570407128 323058807 /nfs/dbraw/zinc/05/88/07/323058807.db2.gz JJCAEWZMGZUIEI-YWVKMMECSA-N 1 2 248.330 1.987 20 0 BDADLO CCOC1CN(Cc2[nH+]ccn2CC)C1 ZINC000570660332 323066332 /nfs/dbraw/zinc/06/63/32/323066332.db2.gz IGFXWXSIOKDTHW-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000570715801 323068375 /nfs/dbraw/zinc/06/83/75/323068375.db2.gz NTYBYHBYABJLJR-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000570715801 323068376 /nfs/dbraw/zinc/06/83/76/323068376.db2.gz NTYBYHBYABJLJR-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](O)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000518759310 323075647 /nfs/dbraw/zinc/07/56/47/323075647.db2.gz OFZSFRJOWROAAN-LBPRGKRZSA-N 1 2 246.314 1.128 20 0 BDADLO CCO/C=C\C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000493587930 323086827 /nfs/dbraw/zinc/08/68/27/323086827.db2.gz QOAIOIZIBAURDG-OJIASSBASA-N 1 2 249.314 1.538 20 0 BDADLO CC(C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000531436129 323089560 /nfs/dbraw/zinc/08/95/60/323089560.db2.gz IOYZXIAUDVTELJ-UHFFFAOYSA-N 1 2 245.286 1.143 20 0 BDADLO CCc1cnc(C[NH2+][C@@](C)(CCO)COC)o1 ZINC000531493877 323098633 /nfs/dbraw/zinc/09/86/33/323098633.db2.gz WHLNNFPBSLUWEA-LBPRGKRZSA-N 1 2 242.319 1.114 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC000563258889 323107060 /nfs/dbraw/zinc/10/70/60/323107060.db2.gz NRESDWHRMSIHIX-KQXIARHKSA-N 1 2 233.315 1.749 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000531790611 323113455 /nfs/dbraw/zinc/11/34/55/323113455.db2.gz HEOYFVUEAVLOOF-VXGBXAGGSA-N 1 2 249.314 1.224 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCC(F)F)ccn12 ZINC000563382996 323122122 /nfs/dbraw/zinc/12/21/22/323122122.db2.gz AHHKEAOJMCCSSF-UHFFFAOYSA-N 1 2 239.225 1.638 20 0 BDADLO CC(=O)N1CC([NH2+][C@H](C)c2csc(C)n2)C1 ZINC000563415835 323123501 /nfs/dbraw/zinc/12/35/01/323123501.db2.gz FLJQOXKXEATOQK-SSDOTTSWSA-N 1 2 239.344 1.333 20 0 BDADLO Cc1cc(N2Cc3cncnc3C2)nc[nH+]1 ZINC000563422850 323124250 /nfs/dbraw/zinc/12/42/50/323124250.db2.gz CKBWQGMQLPBTNJ-UHFFFAOYSA-N 1 2 213.244 1.095 20 0 BDADLO Cc1cc(NCc2[nH]c(C)c(C)[nH+]2)n(CCO)n1 ZINC000563438036 323125610 /nfs/dbraw/zinc/12/56/10/323125610.db2.gz CZQIPPSBNWADFH-UHFFFAOYSA-N 1 2 249.318 1.136 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@H]1CCC[C@H]1O ZINC000246096250 323127357 /nfs/dbraw/zinc/12/73/57/323127357.db2.gz IXSWILZQAQADLX-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@H]1CCC[C@H]1O ZINC000246096250 323127358 /nfs/dbraw/zinc/12/73/58/323127358.db2.gz IXSWILZQAQADLX-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(CO)CN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000563507618 323128302 /nfs/dbraw/zinc/12/83/02/323128302.db2.gz PISDMRBDAXEEKE-UHFFFAOYSA-N 1 2 248.330 1.117 20 0 BDADLO CC1(CO)CN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000563507618 323128303 /nfs/dbraw/zinc/12/83/03/323128303.db2.gz PISDMRBDAXEEKE-UHFFFAOYSA-N 1 2 248.330 1.117 20 0 BDADLO Cc1ccnc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000563539047 323130038 /nfs/dbraw/zinc/13/00/38/323130038.db2.gz MBLUMIGWRGHGSN-SNVBAGLBSA-N 1 2 245.286 1.571 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1CCC(C)(C)O1 ZINC000160822544 323136743 /nfs/dbraw/zinc/13/67/43/323136743.db2.gz HOZMQWJRWSKIIR-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CCC(C)(C)O1 ZINC000160822544 323136744 /nfs/dbraw/zinc/13/67/44/323136744.db2.gz HOZMQWJRWSKIIR-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571416370 323144348 /nfs/dbraw/zinc/14/43/48/323144348.db2.gz JWRLMRQLVNTWLV-QMMMGPOBSA-N 1 2 245.273 1.702 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571416370 323144349 /nfs/dbraw/zinc/14/43/49/323144349.db2.gz JWRLMRQLVNTWLV-QMMMGPOBSA-N 1 2 245.273 1.702 20 0 BDADLO Cc1cc(NC(=O)N[C@@]2(C)CCOC2)c(C)c[nH+]1 ZINC000535060285 323164862 /nfs/dbraw/zinc/16/48/62/323164862.db2.gz IOEQLGJDINFGAE-ZDUSSCGKSA-N 1 2 249.314 1.421 20 0 BDADLO O=C([C@@H]1CCCC12CC2)N1CCn2c[nH+]cc2C1 ZINC000529404232 323175239 /nfs/dbraw/zinc/17/52/39/323175239.db2.gz QAVBEIVDAMIDKS-LBPRGKRZSA-N 1 2 245.326 1.806 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)s1 ZINC000563782018 323177609 /nfs/dbraw/zinc/17/76/09/323177609.db2.gz RPMBGCHITANAPY-SECBINFHSA-N 1 2 238.356 1.631 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)s1 ZINC000563782018 323177610 /nfs/dbraw/zinc/17/76/10/323177610.db2.gz RPMBGCHITANAPY-SECBINFHSA-N 1 2 238.356 1.631 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)c1cscn1)S(C)(=O)=O ZINC000308833624 323179931 /nfs/dbraw/zinc/17/99/31/323179931.db2.gz HEJPZAKWTCRLAI-YUMQZZPRSA-N 1 2 248.373 1.227 20 0 BDADLO CC(C)(C)[C@@H](CO)[NH2+]Cc1nnsc1Cl ZINC000308860756 323180147 /nfs/dbraw/zinc/18/01/47/323180147.db2.gz RHPYKCRALYYJHP-SSDOTTSWSA-N 1 2 249.767 1.688 20 0 BDADLO Cc1noc(C[NH2+][C@H](CO)c2ccccc2C)n1 ZINC000541980824 323183415 /nfs/dbraw/zinc/18/34/15/323183415.db2.gz HJGQJMJAQOBNMS-GFCCVEGCSA-N 1 2 247.298 1.510 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cccn2)c(C)c[nH+]1 ZINC000535748390 323190216 /nfs/dbraw/zinc/19/02/16/323190216.db2.gz JCVQJIPNINPECO-LLVKDONJSA-N 1 2 244.298 1.517 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)n2cccn2)c(C)c[nH+]1 ZINC000535748394 323190260 /nfs/dbraw/zinc/19/02/60/323190260.db2.gz JCVQJIPNINPECO-NSHDSACASA-N 1 2 244.298 1.517 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC=CCC1 ZINC000529871105 323193262 /nfs/dbraw/zinc/19/32/62/323193262.db2.gz XDIOVEGWFILITO-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c[nH+]1 ZINC000529982471 323195104 /nfs/dbraw/zinc/19/51/04/323195104.db2.gz RNXMMBNZOMTEOO-UGYAYLCHSA-N 1 2 237.303 1.260 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccc[nH]1 ZINC000064309682 323196533 /nfs/dbraw/zinc/19/65/33/323196533.db2.gz TUVOZMPWWYRTFI-UHFFFAOYSA-N 1 2 230.271 1.728 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCOC2)c(C)c[nH+]1 ZINC000536574527 323197857 /nfs/dbraw/zinc/19/78/57/323197857.db2.gz BGGJSUFEBLPDKB-LLVKDONJSA-N 1 2 234.299 1.485 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2C[C@H]2C)c(C)c[nH+]1 ZINC000536620762 323198879 /nfs/dbraw/zinc/19/88/79/323198879.db2.gz JDVJQLJCHSSCEP-KCJUWKMLSA-N 1 2 233.315 1.898 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000547483502 323205843 /nfs/dbraw/zinc/20/58/43/323205843.db2.gz RHMTXCKCXVZXOW-QWRGUYRKSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000547483501 323205923 /nfs/dbraw/zinc/20/59/23/323205923.db2.gz RHMTXCKCXVZXOW-MNOVXSKESA-N 1 2 235.331 1.515 20 0 BDADLO COCC1(NC(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000532239335 323211211 /nfs/dbraw/zinc/21/12/11/323211211.db2.gz UPAXMNVNNUJSCV-UHFFFAOYSA-N 1 2 249.314 1.999 20 0 BDADLO C[C@H]1C[C@@H](C(=O)Nc2cccc3[nH+]ccn32)CO1 ZINC000526133131 323241577 /nfs/dbraw/zinc/24/15/77/323241577.db2.gz XRDXZBQQSZQWRL-VHSXEESVSA-N 1 2 245.282 1.698 20 0 BDADLO CC[C@H](CSC)NC(=O)Cc1c[nH+]cn1C ZINC000563903398 323311116 /nfs/dbraw/zinc/31/11/16/323311116.db2.gz BVASQZCOMNFXMK-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO Cc1nccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000563961221 323332796 /nfs/dbraw/zinc/33/27/96/323332796.db2.gz XRQUZUYBAVISHD-SECBINFHSA-N 1 2 245.286 1.571 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000571748244 323477843 /nfs/dbraw/zinc/47/78/43/323477843.db2.gz PCOXEPNYJQRAOO-GMXVVIOVSA-N 1 2 245.326 1.703 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)C(F)(F)F)n1cc[nH+]c1 ZINC000571806513 323484075 /nfs/dbraw/zinc/48/40/75/323484075.db2.gz NIBRNELLOZALJK-SFYZADRCSA-N 1 2 249.236 1.901 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCc2ncnn2C1 ZINC000571963995 323513616 /nfs/dbraw/zinc/51/36/16/323513616.db2.gz KWLCHDDIIUPPPW-SNVBAGLBSA-N 1 2 244.302 1.112 20 0 BDADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)no1 ZINC000572124891 323544079 /nfs/dbraw/zinc/54/40/79/323544079.db2.gz HUDRGJOSSNWNHY-QMMMGPOBSA-N 1 2 234.259 1.191 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1cc(C)no1 ZINC000572289791 323594509 /nfs/dbraw/zinc/59/45/09/323594509.db2.gz RMQHYJFVVLLJCG-UHFFFAOYSA-N 1 2 244.258 1.213 20 0 BDADLO Cc1csc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000572360613 323609162 /nfs/dbraw/zinc/60/91/62/323609162.db2.gz ZLTFIMTWYQUNMN-UHFFFAOYSA-N 1 2 235.312 1.569 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146078 487960765 /nfs/dbraw/zinc/96/07/65/487960765.db2.gz BDRQPQMONFIPIA-CSXHZRMWSA-N 1 2 245.326 1.837 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@H]1C1CC1)c1[nH+]ccn1C ZINC000667248967 487960854 /nfs/dbraw/zinc/96/08/54/487960854.db2.gz JXGUZDDARYYJIT-KOLCDFICSA-N 1 2 248.330 1.675 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)[C@@H](C)OC ZINC000232044275 324208132 /nfs/dbraw/zinc/20/81/32/324208132.db2.gz QNQYUPMZEOAGTD-GMTAPVOTSA-N 1 2 231.336 1.587 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c(C)c[nH+]1 ZINC000548762798 324221957 /nfs/dbraw/zinc/22/19/57/324221957.db2.gz XCBUUWRPTKBCND-YDEJPDAXSA-N 1 2 248.326 1.872 20 0 BDADLO O=C1C[N@H+](Cc2ccc3cc[nH]c3c2)CCN1 ZINC000529518144 324322191 /nfs/dbraw/zinc/32/21/91/324322191.db2.gz RNWXJFAAWKQNLF-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3cc[nH]c3c2)CCN1 ZINC000529518144 324322193 /nfs/dbraw/zinc/32/21/93/324322193.db2.gz RNWXJFAAWKQNLF-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO Cn1cc(C[NH+]2CC(Cc3ccco3)C2)nn1 ZINC000529648730 324371759 /nfs/dbraw/zinc/37/17/59/324371759.db2.gz IYXHYYKQMGBQMX-UHFFFAOYSA-N 1 2 232.287 1.083 20 0 BDADLO CC(C)C1CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000677085070 487965202 /nfs/dbraw/zinc/96/52/02/487965202.db2.gz MXAZUHXQBYPZHL-UHFFFAOYSA-N 1 2 236.319 1.181 20 0 BDADLO c1snnc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000130032810 325005938 /nfs/dbraw/zinc/00/59/38/325005938.db2.gz HLIJTFDTYLCSHI-SECBINFHSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000130032810 325005940 /nfs/dbraw/zinc/00/59/40/325005940.db2.gz HLIJTFDTYLCSHI-SECBINFHSA-N 1 2 239.344 1.539 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000130208710 325023678 /nfs/dbraw/zinc/02/36/78/325023678.db2.gz KIDAISFHYYPRGJ-ZDUSSCGKSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccnn1C ZINC000130208710 325023680 /nfs/dbraw/zinc/02/36/80/325023680.db2.gz KIDAISFHYYPRGJ-ZDUSSCGKSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000130208504 325024147 /nfs/dbraw/zinc/02/41/47/325024147.db2.gz KIDAISFHYYPRGJ-CYBMUJFWSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccnn1C ZINC000130208504 325024148 /nfs/dbraw/zinc/02/41/48/325024148.db2.gz KIDAISFHYYPRGJ-CYBMUJFWSA-N 1 2 237.347 1.667 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCC(F)(F)F ZINC000070937947 325045835 /nfs/dbraw/zinc/04/58/35/325045835.db2.gz WTXKLAPFUFQULF-UHFFFAOYSA-N 1 2 227.226 1.824 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000070937947 325045840 /nfs/dbraw/zinc/04/58/40/325045840.db2.gz WTXKLAPFUFQULF-UHFFFAOYSA-N 1 2 227.226 1.824 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)N(C)C ZINC000130482948 325057457 /nfs/dbraw/zinc/05/74/57/325057457.db2.gz PCIKTODYXWFGKT-JGVFFNPUSA-N 1 2 227.333 1.270 20 0 BDADLO Cc1ccsc1C(=O)NCCc1c[nH+]cn1C ZINC000543411976 325086691 /nfs/dbraw/zinc/08/66/91/325086691.db2.gz RLRUDXLQKPNKRR-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CCOCC[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000543543575 325092811 /nfs/dbraw/zinc/09/28/11/325092811.db2.gz ARXXKXLXUZYWEY-GFCCVEGCSA-N 1 2 243.347 1.734 20 0 BDADLO Cn1cc(CNc2c[nH+]c3c(c2)CCCC3)nn1 ZINC000543852347 325117563 /nfs/dbraw/zinc/11/75/63/325117563.db2.gz PKUXPMYYRVRIMX-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000131503119 325157403 /nfs/dbraw/zinc/15/74/03/325157403.db2.gz MRHHEJCMACSZQJ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000131503119 325157405 /nfs/dbraw/zinc/15/74/05/325157405.db2.gz MRHHEJCMACSZQJ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(C)[nH]n1 ZINC000132848067 325248251 /nfs/dbraw/zinc/24/82/51/325248251.db2.gz YWERVFYCGYDLDV-UHFFFAOYSA-N 1 2 232.243 1.374 20 0 BDADLO CCCc1nc(C[NH2+]C(C)(C)COC)no1 ZINC000076493667 325346651 /nfs/dbraw/zinc/34/66/51/325346651.db2.gz KVOJRVRBEHNHQP-UHFFFAOYSA-N 1 2 227.308 1.537 20 0 BDADLO Cc1ccc(C)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000134492425 325361064 /nfs/dbraw/zinc/36/10/64/325361064.db2.gz TXODWTRQVRESEA-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO CC(=O)CCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547479429 325361139 /nfs/dbraw/zinc/36/11/39/325361139.db2.gz JDPXQULCQDXOSU-UHFFFAOYSA-N 1 2 235.287 1.026 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000134495908 325361417 /nfs/dbraw/zinc/36/14/17/325361417.db2.gz AEERHBXZTACYNT-UHFFFAOYSA-N 1 2 229.283 1.691 20 0 BDADLO Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC000134499880 325361838 /nfs/dbraw/zinc/36/18/38/325361838.db2.gz MOFLRRPILZIYOO-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO c1cnnc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000547760748 325393170 /nfs/dbraw/zinc/39/31/70/325393170.db2.gz QOQUSYABBVFROR-UHFFFAOYSA-N 1 2 241.298 1.637 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000547769364 325394776 /nfs/dbraw/zinc/39/47/76/325394776.db2.gz KEAJRGDSPMRYRH-DTORHVGOSA-N 1 2 232.287 1.005 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000547769364 325394778 /nfs/dbraw/zinc/39/47/78/325394778.db2.gz KEAJRGDSPMRYRH-DTORHVGOSA-N 1 2 232.287 1.005 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000547769175 325395019 /nfs/dbraw/zinc/39/50/19/325395019.db2.gz FICUICUSOPRAFI-VDDIYKPWSA-N 1 2 236.290 1.835 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000547769175 325395020 /nfs/dbraw/zinc/39/50/20/325395020.db2.gz FICUICUSOPRAFI-VDDIYKPWSA-N 1 2 236.290 1.835 20 0 BDADLO CC(C)Cn1ncnc1C[NH+]1[C@H](C)C[C@H]1C ZINC000548096936 325429345 /nfs/dbraw/zinc/42/93/45/325429345.db2.gz XAJQHYNVWKZKHO-GHMZBOCLSA-N 1 2 222.336 1.917 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548128748 325433498 /nfs/dbraw/zinc/43/34/98/325433498.db2.gz UHUJQFBBAOURPD-NEPJUHHUSA-N 1 2 233.315 1.559 20 0 BDADLO C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000548255437 325442482 /nfs/dbraw/zinc/44/24/82/325442482.db2.gz FOBNACRNOHPAAW-SNVBAGLBSA-N 1 2 221.304 1.364 20 0 BDADLO CO[C@H](C)c1noc(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000548425668 325456819 /nfs/dbraw/zinc/45/68/19/325456819.db2.gz CBDDTXDPWXIHCX-IWSPIJDZSA-N 1 2 225.292 1.760 20 0 BDADLO CCc1[nH]ccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000552020182 325587407 /nfs/dbraw/zinc/58/74/07/325587407.db2.gz MGRPONNQPQIHFQ-UHFFFAOYSA-N 1 2 244.298 1.471 20 0 BDADLO CCn1cc[nH+]c1CNc1cc2n(n1)CCCC2 ZINC000552022882 325587871 /nfs/dbraw/zinc/58/78/71/325587871.db2.gz BEQRVCCRLRHBSC-UHFFFAOYSA-N 1 2 245.330 1.470 20 0 BDADLO C[C@@H](NC(=O)Cc1ccco1)c1[nH]cc[nH+]1 ZINC000552226915 325612037 /nfs/dbraw/zinc/61/20/37/325612037.db2.gz IGDWXLAXODDUNT-MRVPVSSYSA-N 1 2 219.244 1.423 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCO[C@@H]2C)c(C)c[nH+]1 ZINC000552281036 325617122 /nfs/dbraw/zinc/61/71/22/325617122.db2.gz CMBREKGATUJUMT-GHMZBOCLSA-N 1 2 234.299 1.484 20 0 BDADLO CC(C)[C@@H]1N(C(=O)Cn2cc[nH+]c2)CC12CCC2 ZINC000553069577 325675874 /nfs/dbraw/zinc/67/58/74/325675874.db2.gz HAGZQMOKRQAWEV-ZDUSSCGKSA-N 1 2 247.342 1.920 20 0 BDADLO Cc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000553199534 325680755 /nfs/dbraw/zinc/68/07/55/325680755.db2.gz GZAAUWNZXTXQSD-UHFFFAOYSA-N 1 2 233.315 1.670 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252855451 325698693 /nfs/dbraw/zinc/69/86/93/325698693.db2.gz HOFJWYKZTDIWHX-DCAQKATOSA-N 1 2 234.299 1.297 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682475224 487969277 /nfs/dbraw/zinc/96/92/77/487969277.db2.gz VBJPFOJTEVKVNB-PWSUYJOCSA-N 1 2 247.342 1.608 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCC(C)(C)O ZINC000555607582 325764765 /nfs/dbraw/zinc/76/47/65/325764765.db2.gz UBLGFOKLJPCWRC-UHFFFAOYSA-N 1 2 222.288 1.302 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000153129074 325905351 /nfs/dbraw/zinc/90/53/51/325905351.db2.gz SAUSLWHJHKLKKA-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO CCC[C@@H](C)c1cc(=NC(=O)C(C)(C)[NH3+])[nH][nH]1 ZINC000566185398 326008580 /nfs/dbraw/zinc/00/85/80/326008580.db2.gz DZBSHWUCKJMDGV-MRVPVSSYSA-N 1 2 238.335 1.411 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H]2C[C@H]2C(C)C)c[nH+]1 ZINC000566280936 326028341 /nfs/dbraw/zinc/02/83/41/326028341.db2.gz WJLNZUNSWIWUBD-WDEREUQCSA-N 1 2 248.330 1.106 20 0 BDADLO C[C@@H](CC(=O)N1CCOCC12CC2)n1cc[nH+]c1 ZINC000566304222 326031136 /nfs/dbraw/zinc/03/11/36/326031136.db2.gz MGUCCCWOIYKEGF-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO CC1=CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000566446027 326049175 /nfs/dbraw/zinc/04/91/75/326049175.db2.gz GMWDWPHKUBRGET-LLVKDONJSA-N 1 2 233.315 1.767 20 0 BDADLO CC1=CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000566446027 326049178 /nfs/dbraw/zinc/04/91/78/326049178.db2.gz GMWDWPHKUBRGET-LLVKDONJSA-N 1 2 233.315 1.767 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C2CCC2)C1 ZINC000566453951 326050076 /nfs/dbraw/zinc/05/00/76/326050076.db2.gz NQPNYRHHBQZNSS-SNVBAGLBSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C2CCC2)C1 ZINC000566453951 326050078 /nfs/dbraw/zinc/05/00/78/326050078.db2.gz NQPNYRHHBQZNSS-SNVBAGLBSA-N 1 2 247.342 1.847 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000566486487 326057009 /nfs/dbraw/zinc/05/70/09/326057009.db2.gz FIWOZAPRUNUURC-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000566486487 326057012 /nfs/dbraw/zinc/05/70/12/326057012.db2.gz FIWOZAPRUNUURC-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC000566594945 326067080 /nfs/dbraw/zinc/06/70/80/326067080.db2.gz VPXXOPFOACSZGF-ZETCQYMHSA-N 1 2 235.209 1.340 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1(CF)CCC1 ZINC000566740204 326079037 /nfs/dbraw/zinc/07/90/37/326079037.db2.gz KMQUMMLGKFINOQ-UHFFFAOYSA-N 1 2 225.267 1.351 20 0 BDADLO O=C(C[C@@H]1CCCO1)Nc1c[nH+]c2n1CCCC2 ZINC000566896852 326091913 /nfs/dbraw/zinc/09/19/13/326091913.db2.gz NFRJFHJBIKWPHL-JTQLQIEISA-N 1 2 249.314 1.727 20 0 BDADLO CCn1nccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000566983016 326100298 /nfs/dbraw/zinc/10/02/98/326100298.db2.gz ULLVWMUJCSKTNJ-UHFFFAOYSA-N 1 2 236.319 1.183 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153650338 326105140 /nfs/dbraw/zinc/10/51/40/326105140.db2.gz RCDPZTGNTOLSRY-GRYCIOLGSA-N 1 2 247.342 1.845 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000567288345 326156271 /nfs/dbraw/zinc/15/62/71/326156271.db2.gz MVNRIGCUDBOVMW-VIFPVBQESA-N 1 2 209.293 1.361 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000567288345 326156274 /nfs/dbraw/zinc/15/62/74/326156274.db2.gz MVNRIGCUDBOVMW-VIFPVBQESA-N 1 2 209.293 1.361 20 0 BDADLO CC[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155018232 326179812 /nfs/dbraw/zinc/17/98/12/326179812.db2.gz FKBQBAKZFXQYGU-NSHDSACASA-N 1 2 223.320 1.778 20 0 BDADLO C[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)n1cc[nH+]c1 ZINC000567739783 326253744 /nfs/dbraw/zinc/25/37/44/326253744.db2.gz BHZGXCNYTQZBAC-SDDRHHMPSA-N 1 2 247.342 1.949 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H]2CC[C@H](C)C2)c[nH+]1 ZINC000567956299 326287979 /nfs/dbraw/zinc/28/79/79/326287979.db2.gz LJVJAIWPVPTESV-WCBMZHEXSA-N 1 2 248.330 1.250 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567996768 326294138 /nfs/dbraw/zinc/29/41/38/326294138.db2.gz VTQDKYSTLPCMIM-UTUOFQBUSA-N 1 2 235.331 1.997 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ocnc1C ZINC000568228489 326329652 /nfs/dbraw/zinc/32/96/52/326329652.db2.gz AZRKTPGDJCHZFZ-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@@H](C)C1 ZINC000568248608 326334307 /nfs/dbraw/zinc/33/43/07/326334307.db2.gz VPQRDDONLFSSFD-VIFPVBQESA-N 1 2 207.277 1.319 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000568366584 326350310 /nfs/dbraw/zinc/35/03/10/326350310.db2.gz GLZQNKSIFHWOLG-STQMWFEESA-N 1 2 247.342 1.826 20 0 BDADLO C[C@H](CC(=O)NCC(F)F)n1cc[nH+]c1 ZINC000568396491 326354331 /nfs/dbraw/zinc/35/43/31/326354331.db2.gz KFBWDWZZOYUNHG-SSDOTTSWSA-N 1 2 217.219 1.216 20 0 BDADLO OC1CC(CCNc2cc[nH+]c3ccncc23)C1 ZINC000568466604 326357459 /nfs/dbraw/zinc/35/74/59/326357459.db2.gz JJEXKPGFAYTZOI-UHFFFAOYSA-N 1 2 243.310 1.625 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cn[nH]c1)C1CC1 ZINC000568494861 326359744 /nfs/dbraw/zinc/35/97/44/326359744.db2.gz IDRQUOGZACQPNJ-JTQLQIEISA-N 1 2 245.286 1.024 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC2CCC1CC2 ZINC000568767602 326376519 /nfs/dbraw/zinc/37/65/19/326376519.db2.gz WINBZMRMRLSTBG-BPCQOVAHSA-N 1 2 247.342 1.826 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000569125029 326392143 /nfs/dbraw/zinc/39/21/43/326392143.db2.gz RWENCLUVJADHSA-NXEZZACHSA-N 1 2 239.294 1.360 20 0 BDADLO Cc1nnsc1C[N@H+]1CCSC[C@H]1C ZINC000569227965 326396134 /nfs/dbraw/zinc/39/61/34/326396134.db2.gz YNWNHIAVVDHPQQ-SSDOTTSWSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCSC[C@H]1C ZINC000569227965 326396136 /nfs/dbraw/zinc/39/61/36/326396136.db2.gz YNWNHIAVVDHPQQ-SSDOTTSWSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1O ZINC000572749784 326408534 /nfs/dbraw/zinc/40/85/34/326408534.db2.gz SAMGFKQVIVICOS-UHFFFAOYSA-N 1 2 245.282 1.615 20 0 BDADLO C[C@H]1CC[NH2+]C[C@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000572826867 326413054 /nfs/dbraw/zinc/41/30/54/326413054.db2.gz GPIZIOXVODJACJ-DTWKUNHWSA-N 1 2 238.335 1.199 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000682515985 487974154 /nfs/dbraw/zinc/97/41/54/487974154.db2.gz BOCJRAQWNVREOQ-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccn1 ZINC000672812893 487980511 /nfs/dbraw/zinc/98/05/11/487980511.db2.gz MKVCDYGPQIUQDX-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO COCC[C@@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544359 487983615 /nfs/dbraw/zinc/98/36/15/487983615.db2.gz QGROXXDMOZNKJY-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544359 487983619 /nfs/dbraw/zinc/98/36/19/487983619.db2.gz QGROXXDMOZNKJY-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO O[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC000682548819 487986881 /nfs/dbraw/zinc/98/68/81/487986881.db2.gz QVIILXTYWWKXHH-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC000682548819 487986886 /nfs/dbraw/zinc/98/68/86/487986886.db2.gz QVIILXTYWWKXHH-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO C[C@@H]1CCCCN1c1nc[nH+]c2c1OCCN2 ZINC000665688665 487987834 /nfs/dbraw/zinc/98/78/34/487987834.db2.gz PAUBZYAZOFVNGL-SECBINFHSA-N 1 2 234.303 1.660 20 0 BDADLO C[C@@H]1CCCCN1c1[nH+]cnc2c1OCCN2 ZINC000665688665 487987839 /nfs/dbraw/zinc/98/78/39/487987839.db2.gz PAUBZYAZOFVNGL-SECBINFHSA-N 1 2 234.303 1.660 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000668603135 487996278 /nfs/dbraw/zinc/99/62/78/487996278.db2.gz CIRQCEFDMRXVNY-NXEZZACHSA-N 1 2 237.303 1.231 20 0 BDADLO c1cn(-c2cc(N3CCCCCO3)ncn2)c[nH+]1 ZINC000682618285 488002794 /nfs/dbraw/zinc/00/27/94/488002794.db2.gz IPDUWANBAUYAMQ-UHFFFAOYSA-N 1 2 245.286 1.584 20 0 BDADLO OC[C@H](CC1CC1)Nc1cc[nH+]c2ccncc12 ZINC000677236563 488002614 /nfs/dbraw/zinc/00/26/14/488002614.db2.gz GGBDJWHXAKMVGY-NSHDSACASA-N 1 2 243.310 1.625 20 0 BDADLO CCc1cc(NCc2snnc2C)nc[nH+]1 ZINC000309647473 488010684 /nfs/dbraw/zinc/01/06/84/488010684.db2.gz MSGYBNZYVRLFMF-UHFFFAOYSA-N 1 2 235.316 1.811 20 0 BDADLO COCC(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000677306501 488011479 /nfs/dbraw/zinc/01/14/79/488011479.db2.gz KWNAOYRJNMDQQZ-UHFFFAOYSA-N 1 2 247.298 1.945 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2n[nH]c3ccccc32)CO1 ZINC000647253355 488017506 /nfs/dbraw/zinc/01/75/06/488017506.db2.gz LLHAUYSCBFVZQT-NXEZZACHSA-N 1 2 231.299 1.830 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000159332699 488022181 /nfs/dbraw/zinc/02/21/81/488022181.db2.gz IEUNSUBLHNWOLY-VIFPVBQESA-N 1 2 237.234 1.522 20 0 BDADLO CCCn1nccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000667484634 488023583 /nfs/dbraw/zinc/02/35/83/488023583.db2.gz SDZRLPUJBGWHSO-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCCn1nccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000667484634 488023589 /nfs/dbraw/zinc/02/35/89/488023589.db2.gz SDZRLPUJBGWHSO-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO Cc1nc(NCCc2ccco2)nc(N)[nH+]1 ZINC000147039200 488026386 /nfs/dbraw/zinc/02/63/86/488026386.db2.gz MFHFQJXZFXMEMQ-UHFFFAOYSA-N 1 2 219.248 1.010 20 0 BDADLO Cc1nc(N)nc(NCCc2ccco2)[nH+]1 ZINC000147039200 488026391 /nfs/dbraw/zinc/02/63/91/488026391.db2.gz MFHFQJXZFXMEMQ-UHFFFAOYSA-N 1 2 219.248 1.010 20 0 BDADLO Cc1cc(NC(=O)C2CC3(CC3)C2)cc[nH+]1 ZINC000668634643 488033660 /nfs/dbraw/zinc/03/36/60/488033660.db2.gz AVZJRBPVVNAPNN-UHFFFAOYSA-N 1 2 216.284 1.941 20 0 BDADLO Cc1cc(NC(=O)[C@]23C[C@H]2COC3(C)C)cc[nH+]1 ZINC000668634708 488033863 /nfs/dbraw/zinc/03/38/63/488033863.db2.gz CIKMAPHNTZQCMW-HZMBPMFUSA-N 1 2 246.310 1.566 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494211582 533718080 /nfs/dbraw/zinc/71/80/80/533718080.db2.gz HKWNHNIGWYMEEO-BDAKNGLRSA-N 1 2 239.331 1.687 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494211582 533718076 /nfs/dbraw/zinc/71/80/76/533718076.db2.gz HKWNHNIGWYMEEO-BDAKNGLRSA-N 1 2 239.331 1.687 20 0 BDADLO CCCn1nccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000667517997 488036117 /nfs/dbraw/zinc/03/61/17/488036117.db2.gz LSZMEJKWSVGQHX-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000667517997 488036124 /nfs/dbraw/zinc/03/61/24/488036124.db2.gz LSZMEJKWSVGQHX-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667518023 488036773 /nfs/dbraw/zinc/03/67/73/488036773.db2.gz MRGDOXRUNAEIIJ-RYUDHWBXSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2CC2CC2)[C@@H](C)CO1 ZINC000667518023 488036776 /nfs/dbraw/zinc/03/67/76/488036776.db2.gz MRGDOXRUNAEIIJ-RYUDHWBXSA-N 1 2 249.358 1.902 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccncc1F ZINC000677496562 488051935 /nfs/dbraw/zinc/05/19/35/488051935.db2.gz DIZSDKOBUVHZNN-UHFFFAOYSA-N 1 2 248.261 1.258 20 0 BDADLO CO[C@]1(CO)CCC[N@H+](Cc2nccs2)C1 ZINC000401711888 488052873 /nfs/dbraw/zinc/05/28/73/488052873.db2.gz IPHXYYJUEFYUPE-LLVKDONJSA-N 1 2 242.344 1.116 20 0 BDADLO CO[C@]1(CO)CCC[N@@H+](Cc2nccs2)C1 ZINC000401711888 488052876 /nfs/dbraw/zinc/05/28/76/488052876.db2.gz IPHXYYJUEFYUPE-LLVKDONJSA-N 1 2 242.344 1.116 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)NC1CCCC1 ZINC000670080449 488065341 /nfs/dbraw/zinc/06/53/41/488065341.db2.gz RIYSLCBSLCPJJA-UHFFFAOYSA-N 1 2 248.330 1.634 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1Cc1c[nH+]c2n1CCC2 ZINC000667638811 488065494 /nfs/dbraw/zinc/06/54/94/488065494.db2.gz AKYMMFWSGUULJO-MNOVXSKESA-N 1 2 235.331 1.439 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667650953 488073943 /nfs/dbraw/zinc/07/39/43/488073943.db2.gz IYBFBQKOQZNINA-ZDUSSCGKSA-N 1 2 249.358 1.830 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnn3c2CCC3)CCO1 ZINC000667650953 488073949 /nfs/dbraw/zinc/07/39/49/488073949.db2.gz IYBFBQKOQZNINA-ZDUSSCGKSA-N 1 2 249.358 1.830 20 0 BDADLO CC[C@]1(NC(=O)c2c[nH+]c(C)[nH]2)CCOC1 ZINC000682979343 488077319 /nfs/dbraw/zinc/07/73/19/488077319.db2.gz QULAUYUVRBQJPY-NSHDSACASA-N 1 2 223.276 1.017 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cnnn2C)c1 ZINC000682999429 488081425 /nfs/dbraw/zinc/08/14/25/488081425.db2.gz JSHKCIVSYJJTDY-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cnnn2C)c1 ZINC000682999429 488081431 /nfs/dbraw/zinc/08/14/31/488081431.db2.gz JSHKCIVSYJJTDY-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCc1noc(COCc2[nH]cc[nH+]2)n1 ZINC000677645561 488086999 /nfs/dbraw/zinc/08/69/99/488086999.db2.gz HICHFVGBONUYJC-UHFFFAOYSA-N 1 2 208.221 1.072 20 0 BDADLO Cc1cc(N[C@H](C)c2csnn2)nc[nH+]1 ZINC000398329045 488092043 /nfs/dbraw/zinc/09/20/43/488092043.db2.gz ZYQPLHKZIJWSLM-SSDOTTSWSA-N 1 2 221.289 1.810 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)ccn2)[C@@H](C)C1 ZINC000683013075 488092114 /nfs/dbraw/zinc/09/21/14/488092114.db2.gz CZPHVVSAIXSYQO-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)ccn2)[C@@H](C)C1 ZINC000683013075 488092116 /nfs/dbraw/zinc/09/21/16/488092116.db2.gz CZPHVVSAIXSYQO-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)ccn2)CCO1 ZINC000683011839 488092269 /nfs/dbraw/zinc/09/22/69/488092269.db2.gz UYLCKWMNWVBJOX-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)ccn2)CCO1 ZINC000683011839 488092277 /nfs/dbraw/zinc/09/22/77/488092277.db2.gz UYLCKWMNWVBJOX-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000677730545 488099334 /nfs/dbraw/zinc/09/93/34/488099334.db2.gz LBRQDKFYHFBCPZ-SSDOTTSWSA-N 1 2 201.220 1.497 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000677730545 488099337 /nfs/dbraw/zinc/09/93/37/488099337.db2.gz LBRQDKFYHFBCPZ-SSDOTTSWSA-N 1 2 201.220 1.497 20 0 BDADLO CC[C@]1(NC(=O)Nc2cc[nH+]c(C)c2)CCOC1 ZINC000683034239 488102161 /nfs/dbraw/zinc/10/21/61/488102161.db2.gz BPYKONDONFSLCQ-ZDUSSCGKSA-N 1 2 249.314 1.503 20 0 BDADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000683079157 488106639 /nfs/dbraw/zinc/10/66/39/488106639.db2.gz MHWTXEMBAVWOSC-DTWKUNHWSA-N 1 2 248.334 1.892 20 0 BDADLO C[C@H](C(=O)N(C)C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732357 488110144 /nfs/dbraw/zinc/11/01/44/488110144.db2.gz FUANJGDCEWKKLN-MRVPVSSYSA-N 1 2 232.274 1.194 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403157718 488116075 /nfs/dbraw/zinc/11/60/75/488116075.db2.gz FDVXIAPDJNTQRH-XHNCKOQMSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403157718 488116077 /nfs/dbraw/zinc/11/60/77/488116077.db2.gz FDVXIAPDJNTQRH-XHNCKOQMSA-N 1 2 234.303 1.668 20 0 BDADLO CCn1ncc(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000667811866 488126715 /nfs/dbraw/zinc/12/67/15/488126715.db2.gz YOEKHMRJXDVEEP-UHFFFAOYSA-N 1 2 248.290 1.256 20 0 BDADLO Cc1noc(C[N@@H+](C)Cc2ccc(O)cc2)n1 ZINC000674284104 487543665 /nfs/dbraw/zinc/54/36/65/487543665.db2.gz MFJLZYNZRDERHE-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1noc(C[N@H+](C)Cc2ccc(O)cc2)n1 ZINC000674284104 487543669 /nfs/dbraw/zinc/54/36/69/487543669.db2.gz MFJLZYNZRDERHE-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cn1c[nH+]c(CCNc2cc3c(nn2)CCC3)c1 ZINC000665729796 487530259 /nfs/dbraw/zinc/53/02/59/487530259.db2.gz VRYYMERIDGEVKD-UHFFFAOYSA-N 1 2 243.314 1.353 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000408463491 487554160 /nfs/dbraw/zinc/55/41/60/487554160.db2.gz CSMBNTJWQRFIEP-DTWKUNHWSA-N 1 2 224.308 1.142 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000408463491 487554168 /nfs/dbraw/zinc/55/41/68/487554168.db2.gz CSMBNTJWQRFIEP-DTWKUNHWSA-N 1 2 224.308 1.142 20 0 BDADLO CC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCC1 ZINC000674240277 487531161 /nfs/dbraw/zinc/53/11/61/487531161.db2.gz JAYLADPVWRLHLF-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000668786523 487531562 /nfs/dbraw/zinc/53/15/62/487531562.db2.gz CDGCVUWOMRAKOR-BXKDBHETSA-N 1 2 249.339 1.750 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)s1 ZINC000680072364 487532226 /nfs/dbraw/zinc/53/22/26/487532226.db2.gz MYIQYUSWTXONBZ-RKDXNWHRSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)s1 ZINC000680072364 487532232 /nfs/dbraw/zinc/53/22/32/487532232.db2.gz MYIQYUSWTXONBZ-RKDXNWHRSA-N 1 2 241.360 1.303 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1csnn1 ZINC000668240938 487532959 /nfs/dbraw/zinc/53/29/59/487532959.db2.gz XBTCSHYRRWBUDF-JVUFJMBOSA-N 1 2 239.344 1.756 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccsc1 ZINC000061361774 487472165 /nfs/dbraw/zinc/47/21/65/487472165.db2.gz WRBPHZFFPCSDJG-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000679852946 487472960 /nfs/dbraw/zinc/47/29/60/487472960.db2.gz UHFQTMUAXPJKKE-VGMNWLOBSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000679852946 487472966 /nfs/dbraw/zinc/47/29/66/487472966.db2.gz UHFQTMUAXPJKKE-VGMNWLOBSA-N 1 2 241.253 1.673 20 0 BDADLO CC[C@@H](NC(=O)c1ccn(C)c1C)c1[nH]cc[nH+]1 ZINC000684980474 487481531 /nfs/dbraw/zinc/48/15/31/487481531.db2.gz DQXSRJGTLXUVJO-LLVKDONJSA-N 1 2 246.314 1.938 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cc[nH]c1)CC2 ZINC000679894480 487482860 /nfs/dbraw/zinc/48/28/60/487482860.db2.gz BTJXFRZZZHNBQF-UHFFFAOYSA-N 1 2 230.271 1.176 20 0 BDADLO Cc1cc(NCc2n[nH]c(C3CC3)n2)nc(C)[nH+]1 ZINC000294968807 487479454 /nfs/dbraw/zinc/47/94/54/487479454.db2.gz NUXJNSUJZSZKTD-UHFFFAOYSA-N 1 2 244.302 1.701 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)c1ccco1 ZINC000673943984 487488248 /nfs/dbraw/zinc/48/82/48/487488248.db2.gz CKRYIZZWEUEUMX-MRVPVSSYSA-N 1 2 233.271 1.731 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000668759441 487493094 /nfs/dbraw/zinc/49/30/94/487493094.db2.gz IDXIXTMFKKWFNX-PWSUYJOCSA-N 1 2 249.314 1.082 20 0 BDADLO CC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000685262550 487506765 /nfs/dbraw/zinc/50/67/65/487506765.db2.gz ZGIIDNGTTUQYHK-LLVKDONJSA-N 1 2 234.303 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668704523 488142278 /nfs/dbraw/zinc/14/22/78/488142278.db2.gz DIIUHNHMFMTXCY-CMPLNLGQSA-N 1 2 221.304 1.186 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668704523 488142281 /nfs/dbraw/zinc/14/22/81/488142281.db2.gz DIIUHNHMFMTXCY-CMPLNLGQSA-N 1 2 221.304 1.186 20 0 BDADLO C[C@@H](CC(N)=O)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000674065737 487507825 /nfs/dbraw/zinc/50/78/25/487507825.db2.gz FEPOSAHBUURDHS-QMMMGPOBSA-N 1 2 236.319 1.450 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1=CCCCC1 ZINC000295758019 487514562 /nfs/dbraw/zinc/51/45/62/487514562.db2.gz IFJQCLRTAIUEHE-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1=CCCCC1 ZINC000295758019 487514569 /nfs/dbraw/zinc/51/45/69/487514569.db2.gz IFJQCLRTAIUEHE-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000685426531 487520886 /nfs/dbraw/zinc/52/08/86/487520886.db2.gz XZNYMDWNGYBFMO-GXSJLCMTSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000685426531 487520893 /nfs/dbraw/zinc/52/08/93/487520893.db2.gz XZNYMDWNGYBFMO-GXSJLCMTSA-N 1 2 225.311 1.908 20 0 BDADLO CCC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000665726805 487525890 /nfs/dbraw/zinc/52/58/90/487525890.db2.gz WFTWLEHPIOIAGG-UHFFFAOYSA-N 1 2 229.287 1.509 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000014901490 487521728 /nfs/dbraw/zinc/52/17/28/487521728.db2.gz VSOKIDYTKVBLGU-UHFFFAOYSA-N 1 2 223.276 1.345 20 0 BDADLO Oc1ccc2c(c1)OCC[N@@H+](Cc1cn[nH]c1)C2 ZINC000685443516 487522995 /nfs/dbraw/zinc/52/29/95/487522995.db2.gz HEQXJCADJQAOQH-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO Oc1ccc2c(c1)OCC[N@H+](Cc1cn[nH]c1)C2 ZINC000685443516 487522998 /nfs/dbraw/zinc/52/29/98/487522998.db2.gz HEQXJCADJQAOQH-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO Cc1[nH+]cc(CN(C)CC2=CCSC2)n1C ZINC000668777116 487523459 /nfs/dbraw/zinc/52/34/59/487523459.db2.gz RONJPUHVEISMBF-UHFFFAOYSA-N 1 2 237.372 1.834 20 0 BDADLO Cc1ccc(CCNc2nnc(C)c(C)n2)[nH+]c1 ZINC000665724748 487523742 /nfs/dbraw/zinc/52/37/42/487523742.db2.gz GTGAGQOVOZNCLO-UHFFFAOYSA-N 1 2 243.314 1.846 20 0 BDADLO C[C@H]([NH2+]Cc1cnns1)c1cscn1 ZINC000400222199 488149046 /nfs/dbraw/zinc/14/90/46/488149046.db2.gz IBWJJYNGUCFBCJ-LURJTMIESA-N 1 2 226.330 1.845 20 0 BDADLO CCCC[N@H+](CCO)Cc1nnc(CC)s1 ZINC000680050645 487527005 /nfs/dbraw/zinc/52/70/05/487527005.db2.gz BLMWXAXJECFTJB-UHFFFAOYSA-N 1 2 243.376 1.695 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nnc(CC)s1 ZINC000680050645 487527013 /nfs/dbraw/zinc/52/70/13/487527013.db2.gz BLMWXAXJECFTJB-UHFFFAOYSA-N 1 2 243.376 1.695 20 0 BDADLO CCc1cc(C)nc(NCCc2cn(C)c[nH+]2)n1 ZINC000665729602 487527246 /nfs/dbraw/zinc/52/72/46/487527246.db2.gz OIXGIQUTDFJSDS-UHFFFAOYSA-N 1 2 245.330 1.736 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2ncc[nH]2)cs1 ZINC000670983124 487534282 /nfs/dbraw/zinc/53/42/82/487534282.db2.gz ISCPFVJHRHYQQB-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2ncc[nH]2)cs1 ZINC000670983124 487534287 /nfs/dbraw/zinc/53/42/87/487534287.db2.gz ISCPFVJHRHYQQB-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO O=C(Cc1ccco1)Nc1c[nH+]c2n1CCCC2 ZINC000334665831 487535102 /nfs/dbraw/zinc/53/51/02/487535102.db2.gz PHRDHSDBZYZHOG-UHFFFAOYSA-N 1 2 245.282 1.994 20 0 BDADLO c1cc(N2CC3(CC3)C2)nc(C2CC2)[nH+]1 ZINC000334794277 487559875 /nfs/dbraw/zinc/55/98/75/487559875.db2.gz XVQFQQHQFFORBD-UHFFFAOYSA-N 1 2 201.273 1.954 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cn1 ZINC000334859901 487573582 /nfs/dbraw/zinc/57/35/82/487573582.db2.gz OIEHYDRTLIVFNC-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CF)C2)cn1 ZINC000334859901 487573587 /nfs/dbraw/zinc/57/35/87/487573587.db2.gz OIEHYDRTLIVFNC-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO OCc1ccc(NCc2ccc(O)cc2)[nH+]c1 ZINC000685846163 487586170 /nfs/dbraw/zinc/58/61/70/487586170.db2.gz LPYIIJLKPVJUDU-UHFFFAOYSA-N 1 2 230.267 1.892 20 0 BDADLO CC[C@H](C)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000675112237 487670441 /nfs/dbraw/zinc/67/04/41/487670441.db2.gz CIIFCXMYMADOEA-JTQLQIEISA-N 1 2 231.303 1.897 20 0 BDADLO CO[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CCCC1 ZINC000668995064 487842366 /nfs/dbraw/zinc/84/23/66/487842366.db2.gz GBADYCCHHNTDPQ-NSHDSACASA-N 1 2 237.303 1.231 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1F ZINC000684473809 487919372 /nfs/dbraw/zinc/91/93/72/487919372.db2.gz VGSGHMTZACIDEK-KOLCDFICSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1F ZINC000684473809 487919375 /nfs/dbraw/zinc/91/93/75/487919375.db2.gz VGSGHMTZACIDEK-KOLCDFICSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000682515986 487973747 /nfs/dbraw/zinc/97/37/47/487973747.db2.gz BOCJRAQWNVREOQ-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ccnc2ccncc21 ZINC000428131982 488014670 /nfs/dbraw/zinc/01/46/70/488014670.db2.gz QPJVZJNILQDDIC-UHFFFAOYSA-N 1 2 239.282 1.989 20 0 BDADLO O=C(NCc1ccccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000140732320 488054665 /nfs/dbraw/zinc/05/46/65/488054665.db2.gz UERCHQZRVVALML-VXGBXAGGSA-N 1 2 241.294 1.830 20 0 BDADLO O=C(NCc1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000140732320 488054668 /nfs/dbraw/zinc/05/46/68/488054668.db2.gz UERCHQZRVVALML-VXGBXAGGSA-N 1 2 241.294 1.830 20 0 BDADLO Cn1cccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000670379297 488123450 /nfs/dbraw/zinc/12/34/50/488123450.db2.gz RNFVAEXCLPEIDB-UHFFFAOYSA-N 1 2 240.266 1.925 20 0 BDADLO Cc1cn2cc(NC(=O)[C@H](O)C3CC3)ccc2[nH+]1 ZINC000667861201 488140673 /nfs/dbraw/zinc/14/06/73/488140673.db2.gz KCHKEUPZNWVHIG-GFCCVEGCSA-N 1 2 245.282 1.352 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1cc[nH+]c2ccncc21 ZINC000677881711 488146142 /nfs/dbraw/zinc/14/61/42/488146142.db2.gz WPOZVMZGJIAWEL-CQSZACIVSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC000677929391 488158930 /nfs/dbraw/zinc/15/89/30/488158930.db2.gz MVJFKAONJPKAME-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC000677929391 488158933 /nfs/dbraw/zinc/15/89/33/488158933.db2.gz MVJFKAONJPKAME-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO CC(=O)Nc1cnn(Cc2ccc(C)[nH+]c2)c1 ZINC000655680336 488168657 /nfs/dbraw/zinc/16/86/57/488168657.db2.gz LDBFUQFCYDRYLV-UHFFFAOYSA-N 1 2 230.271 1.593 20 0 BDADLO Cc1nocc1C[NH2+][C@H](C)c1nccn1C ZINC000397918986 488170853 /nfs/dbraw/zinc/17/08/53/488170853.db2.gz OUQYLNDTKAYBEL-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO FC1(F)CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000259420874 488172535 /nfs/dbraw/zinc/17/25/35/488172535.db2.gz SYQBGUYWXZEKBU-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000259420874 488172536 /nfs/dbraw/zinc/17/25/36/488172536.db2.gz SYQBGUYWXZEKBU-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO NC(=O)C1([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000667979689 488175258 /nfs/dbraw/zinc/17/52/58/488175258.db2.gz OZXYWERTNLHZSL-UHFFFAOYSA-N 1 2 244.216 1.211 20 0 BDADLO CC[C@]1(C)COCCN1Cc1c[nH+]c2n1CCC2 ZINC000667999836 488180302 /nfs/dbraw/zinc/18/03/02/488180302.db2.gz QRKJTQDGUPEWKL-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3nccnc3C2)o1 ZINC000668735922 488185233 /nfs/dbraw/zinc/18/52/33/488185233.db2.gz QNNMZCVTWNBFBE-UHFFFAOYSA-N 1 2 245.282 1.120 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3nccnc3C2)o1 ZINC000668735922 488185240 /nfs/dbraw/zinc/18/52/40/488185240.db2.gz QNNMZCVTWNBFBE-UHFFFAOYSA-N 1 2 245.282 1.120 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC000683528228 488188130 /nfs/dbraw/zinc/18/81/30/488188130.db2.gz ZYGLDRPANLKCKA-NEPJUHHUSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC000683528228 488188134 /nfs/dbraw/zinc/18/81/34/488188134.db2.gz ZYGLDRPANLKCKA-NEPJUHHUSA-N 1 2 249.310 1.547 20 0 BDADLO COc1ncccc1C[NH2+]Cc1cnc(C)o1 ZINC000398031013 488188617 /nfs/dbraw/zinc/18/86/17/488188617.db2.gz PPJUBSCAAZHTGE-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1nccs1 ZINC000683536935 488189945 /nfs/dbraw/zinc/18/99/45/488189945.db2.gz NIRFAZFNAFLCKK-UHFFFAOYSA-N 1 2 236.300 1.149 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2nc(C)no2)CO1 ZINC000668050686 488196046 /nfs/dbraw/zinc/19/60/46/488196046.db2.gz XSFKYFHJFVLUSF-UJNFCWOMSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000265595934 488197738 /nfs/dbraw/zinc/19/77/38/488197738.db2.gz QQVAUUWRBLJTNK-GHMZBOCLSA-N 1 2 233.315 1.988 20 0 BDADLO COC[C@@H](NCc1cn(C)c[nH+]1)c1ccco1 ZINC000673602785 488204851 /nfs/dbraw/zinc/20/48/51/488204851.db2.gz CSQMGOWOBZNCIJ-LLVKDONJSA-N 1 2 235.287 1.490 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H](OC)C1CCC1 ZINC000668746325 488206236 /nfs/dbraw/zinc/20/62/36/488206236.db2.gz NQGKDGKWYYXTME-CYBMUJFWSA-N 1 2 248.326 1.820 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOc3ccccc3C2)n1 ZINC000678195640 488215939 /nfs/dbraw/zinc/21/59/39/488215939.db2.gz CEXSYTMXKJAPSF-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO Cn1ccc(C[N@H+]2CCOc3ccccc3C2)n1 ZINC000678195640 488215940 /nfs/dbraw/zinc/21/59/40/488215940.db2.gz CEXSYTMXKJAPSF-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C)o2)[C@@H]1OC ZINC000231640190 488218089 /nfs/dbraw/zinc/21/80/89/488218089.db2.gz HKIKQDKCCZGQAC-FOGDFJRCSA-N 1 2 240.303 1.265 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCN(C3CC3)C2)o1 ZINC000231639590 488218714 /nfs/dbraw/zinc/21/87/14/488218714.db2.gz RBLWHIROFSDZHH-JTQLQIEISA-N 1 2 221.304 1.309 20 0 BDADLO CCn1ncnc1C[N@H+](CCO)CC(C)(C)C ZINC000683781864 488220030 /nfs/dbraw/zinc/22/00/30/488220030.db2.gz ZBMOKHNAINLWNB-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CCn1ncnc1C[N@@H+](CCO)CC(C)(C)C ZINC000683781864 488220034 /nfs/dbraw/zinc/22/00/34/488220034.db2.gz ZBMOKHNAINLWNB-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO c1nn2c(c1C[N@H+](C1CC1)C1COC1)CCC2 ZINC000668200250 488222786 /nfs/dbraw/zinc/22/27/86/488222786.db2.gz RUARNVDFEBSPHI-UHFFFAOYSA-N 1 2 233.315 1.193 20 0 BDADLO c1nn2c(c1C[N@@H+](C1CC1)C1COC1)CCC2 ZINC000668200250 488222789 /nfs/dbraw/zinc/22/27/89/488222789.db2.gz RUARNVDFEBSPHI-UHFFFAOYSA-N 1 2 233.315 1.193 20 0 BDADLO CC1(CN2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000683825342 488227079 /nfs/dbraw/zinc/22/70/79/488227079.db2.gz AUFOKRVNMMBFKF-ZDUSSCGKSA-N 1 2 238.375 1.583 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)Cc2cn[nH]c2)c1C ZINC000678266082 488230525 /nfs/dbraw/zinc/23/05/25/488230525.db2.gz LVXAWRXMFCCVTH-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)Cc2cn[nH]c2)c1C ZINC000678266082 488230529 /nfs/dbraw/zinc/23/05/29/488230529.db2.gz LVXAWRXMFCCVTH-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678270306 488231806 /nfs/dbraw/zinc/23/18/06/488231806.db2.gz IKKYQZZLNCXRQO-NSHDSACASA-N 1 2 249.289 1.694 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678270306 488231808 /nfs/dbraw/zinc/23/18/08/488231808.db2.gz IKKYQZZLNCXRQO-NSHDSACASA-N 1 2 249.289 1.694 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2[nH+]ccn2C1 ZINC000683888289 488237133 /nfs/dbraw/zinc/23/71/33/488237133.db2.gz NWBVHNIHGWKDDY-HNCHTBHHSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1cc(CN(C)Cc2cn(C)c[nH+]2)no1 ZINC000683898507 488240250 /nfs/dbraw/zinc/24/02/50/488240250.db2.gz LGTJVLNOQBSVFV-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150229 488241553 /nfs/dbraw/zinc/24/15/53/488241553.db2.gz JCLMBAHLSZSUOV-QWRGUYRKSA-N 1 2 235.331 1.606 20 0 BDADLO O=C(CCC1CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152062 488241818 /nfs/dbraw/zinc/24/18/18/488241818.db2.gz FIXFKJOYXOJKKK-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153136 488241945 /nfs/dbraw/zinc/24/19/45/488241945.db2.gz RXCMXZIMBJGHGT-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO CCc1nc(N2CCC[C@H]2COC)cc(C)[nH+]1 ZINC000672230612 488246397 /nfs/dbraw/zinc/24/63/97/488246397.db2.gz NDPCDHXTFPYSSY-NSHDSACASA-N 1 2 235.331 1.963 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1c(O)cccc1F ZINC000678374503 488247828 /nfs/dbraw/zinc/24/78/28/488247828.db2.gz NTYSDFXVXJXRAS-VIFPVBQESA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1c(O)cccc1F ZINC000678374503 488247830 /nfs/dbraw/zinc/24/78/30/488247830.db2.gz NTYSDFXVXJXRAS-VIFPVBQESA-N 1 2 238.262 1.564 20 0 BDADLO Cc1nc(N2CC[C@@H](C(F)F)C2)cc[nH+]1 ZINC000672275439 488249616 /nfs/dbraw/zinc/24/96/16/488249616.db2.gz WTEUYZRXOBTKHR-MRVPVSSYSA-N 1 2 213.231 1.876 20 0 BDADLO COc1ccc(N[C@H]2CCC(=O)NC2(C)C)[nH+]c1 ZINC000672277899 488249939 /nfs/dbraw/zinc/24/99/39/488249939.db2.gz JOVDDCMUZGCCCU-JTQLQIEISA-N 1 2 249.314 1.559 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000672344167 488252618 /nfs/dbraw/zinc/25/26/18/488252618.db2.gz UGXNGTKFKLCCPQ-MNOVXSKESA-N 1 2 221.304 1.578 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cn[nH]c2)o1 ZINC000678466302 488257902 /nfs/dbraw/zinc/25/79/02/488257902.db2.gz FANLPNNNLCBURL-VIFPVBQESA-N 1 2 220.276 1.899 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000678466302 488257903 /nfs/dbraw/zinc/25/79/03/488257903.db2.gz FANLPNNNLCBURL-VIFPVBQESA-N 1 2 220.276 1.899 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@H](C)c2nncn2C)c1 ZINC000672554725 488259610 /nfs/dbraw/zinc/25/96/10/488259610.db2.gz DCFLXIRWNNVUOC-LLVKDONJSA-N 1 2 247.346 1.830 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@H](C)c2nncn2C)c1 ZINC000672554725 488259613 /nfs/dbraw/zinc/25/96/13/488259613.db2.gz DCFLXIRWNNVUOC-LLVKDONJSA-N 1 2 247.346 1.830 20 0 BDADLO CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000684080476 488261388 /nfs/dbraw/zinc/26/13/88/488261388.db2.gz YRKILUOHKPHBCE-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@H]1COC ZINC000684093005 488266052 /nfs/dbraw/zinc/26/60/52/488266052.db2.gz ICDMGRRONWMSOE-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@H]1COC ZINC000684093005 488266056 /nfs/dbraw/zinc/26/60/56/488266056.db2.gz ICDMGRRONWMSOE-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2C)nn1C ZINC000684108014 488267521 /nfs/dbraw/zinc/26/75/21/488267521.db2.gz YPJTXFOGHHPNII-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2C)nn1C ZINC000684108014 488267523 /nfs/dbraw/zinc/26/75/23/488267523.db2.gz YPJTXFOGHHPNII-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)c(C)n1 ZINC000678612119 488272591 /nfs/dbraw/zinc/27/25/91/488272591.db2.gz TYCIITUAEYSKSB-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC(C)C)s1 ZINC000678624555 488273939 /nfs/dbraw/zinc/27/39/39/488273939.db2.gz CIWFMDWMZKERAR-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC(C)C)s1 ZINC000678624555 488273940 /nfs/dbraw/zinc/27/39/40/488273940.db2.gz CIWFMDWMZKERAR-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673081414 488276295 /nfs/dbraw/zinc/27/62/95/488276295.db2.gz YYWBMTZSQZEBBA-GRYCIOLGSA-N 1 2 248.330 1.638 20 0 BDADLO CCc1noc(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000678805211 488285562 /nfs/dbraw/zinc/28/55/62/488285562.db2.gz ZJYRRDCYCNHVHT-LLVKDONJSA-N 1 2 247.298 1.455 20 0 BDADLO C(c1nc2c(s1)CCC2)[N@@H+]1CCCOCC1 ZINC000678816676 488286615 /nfs/dbraw/zinc/28/66/15/488286615.db2.gz WUSYWUZDNIDFKM-UHFFFAOYSA-N 1 2 238.356 1.854 20 0 BDADLO C(c1nc2c(s1)CCC2)[N@H+]1CCCOCC1 ZINC000678816676 488286616 /nfs/dbraw/zinc/28/66/16/488286616.db2.gz WUSYWUZDNIDFKM-UHFFFAOYSA-N 1 2 238.356 1.854 20 0 BDADLO C[N@H+](Cc1nc2c(s1)CCC2)[C@H]1CCOC1 ZINC000678823583 488287937 /nfs/dbraw/zinc/28/79/37/488287937.db2.gz QYWCCOZXSRWTRG-VIFPVBQESA-N 1 2 238.356 1.853 20 0 BDADLO C[N@@H+](Cc1nc2c(s1)CCC2)[C@H]1CCOC1 ZINC000678823583 488287941 /nfs/dbraw/zinc/28/79/41/488287941.db2.gz QYWCCOZXSRWTRG-VIFPVBQESA-N 1 2 238.356 1.853 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)CCCn1cc[nH+]c1 ZINC000684333526 488294112 /nfs/dbraw/zinc/29/41/12/488294112.db2.gz BYPXXPUOQNNRKJ-PHIMTYICSA-N 1 2 221.304 1.673 20 0 BDADLO CCOc1ncccc1C[NH2+]Cc1cn(C)cn1 ZINC000673599719 488296427 /nfs/dbraw/zinc/29/64/27/488296427.db2.gz JZXADJZNTFQJKX-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CN(C)c1ccc(NCc2cn(C)cn2)[nH+]c1 ZINC000673604198 488297090 /nfs/dbraw/zinc/29/70/90/488297090.db2.gz JBGXRKLNLJUPJM-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1coc(C)n1 ZINC000673608290 488297662 /nfs/dbraw/zinc/29/76/62/488297662.db2.gz HPBSHUSKSSKNPZ-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO Cc1nc(CCOCc2[nH]cc[nH+]2)cs1 ZINC000679009233 488302746 /nfs/dbraw/zinc/30/27/46/488302746.db2.gz JIJUKQGQPSGMON-UHFFFAOYSA-N 1 2 223.301 1.934 20 0 BDADLO O=C(CCC(F)F)NCCn1cc[nH+]c1 ZINC000684391234 488304718 /nfs/dbraw/zinc/30/47/18/488304718.db2.gz RMCIEENPSTUWOH-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CCC(F)F ZINC000684463406 488316720 /nfs/dbraw/zinc/31/67/20/488316720.db2.gz VSASTAXIZOUKRG-UHFFFAOYSA-N 1 2 245.273 1.777 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1F ZINC000684473808 488319020 /nfs/dbraw/zinc/31/90/20/488319020.db2.gz VGSGHMTZACIDEK-GXSJLCMTSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1F ZINC000684473808 488319025 /nfs/dbraw/zinc/31/90/25/488319025.db2.gz VGSGHMTZACIDEK-GXSJLCMTSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC=CCC1 ZINC000679272650 488327756 /nfs/dbraw/zinc/32/77/56/488327756.db2.gz XXDSWZLSUGNTNM-LLVKDONJSA-N 1 2 234.303 1.243 20 0 BDADLO CC(C)c1nc(N2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000679279990 488328582 /nfs/dbraw/zinc/32/85/82/488328582.db2.gz OSDYZRKIHAQRED-UHFFFAOYSA-N 1 2 247.346 1.827 20 0 BDADLO CC(=O)N1CCC[C@H](CNc2cc(C)[nH+]cn2)C1 ZINC000684597732 488330562 /nfs/dbraw/zinc/33/05/62/488330562.db2.gz XZSGFZQUPGRREY-GFCCVEGCSA-N 1 2 248.330 1.455 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+](C)CCC(F)(F)F ZINC000653533723 490163642 /nfs/dbraw/zinc/16/36/42/490163642.db2.gz BYAKDIZAHJEGKB-ZETCQYMHSA-N 1 2 248.252 1.834 20 0 BDADLO Cc1cc(NCC(C)(C)CCCO)nc[nH+]1 ZINC000221189999 490193542 /nfs/dbraw/zinc/19/35/42/490193542.db2.gz OJCKOFAQUYDIPL-UHFFFAOYSA-N 1 2 223.320 1.996 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C2CCC2)C1 ZINC000666075449 490265427 /nfs/dbraw/zinc/26/54/27/490265427.db2.gz FBYYXYNUMZHIIE-GFCCVEGCSA-N 1 2 247.342 1.909 20 0 BDADLO Cc1ncsc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657570780 490285659 /nfs/dbraw/zinc/28/56/59/490285659.db2.gz TWXNNHSADCAMPO-IONNQARKSA-N 1 2 249.343 1.839 20 0 BDADLO CCCc1nc(C[N@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079769471 490463934 /nfs/dbraw/zinc/46/39/34/490463934.db2.gz RGBQESWAILFOPH-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)C[C@@H](O)C2CC2)no1 ZINC000079769471 490463939 /nfs/dbraw/zinc/46/39/39/490463939.db2.gz RGBQESWAILFOPH-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000074726837 490500910 /nfs/dbraw/zinc/50/09/10/490500910.db2.gz NAFHMTPMUKUCDQ-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000074726837 490500915 /nfs/dbraw/zinc/50/09/15/490500915.db2.gz NAFHMTPMUKUCDQ-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO COC1(CO)CC[NH+](Cc2nccs2)CC1 ZINC000401719507 490584848 /nfs/dbraw/zinc/58/48/48/490584848.db2.gz DDTOMQOMTFRPLL-UHFFFAOYSA-N 1 2 242.344 1.116 20 0 BDADLO CCc1cc(NCC[C@H](O)CC)nc[nH+]1 ZINC000131609849 490648033 /nfs/dbraw/zinc/64/80/33/490648033.db2.gz GVEPZKBTOFUSFM-SNVBAGLBSA-N 1 2 209.293 1.612 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCc1ccc[nH]1 ZINC000135945017 491049745 /nfs/dbraw/zinc/04/97/45/491049745.db2.gz UOICPLPXZQKQKP-UHFFFAOYSA-N 1 2 246.314 1.350 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)N(C)CC1CC1 ZINC000670079753 491081306 /nfs/dbraw/zinc/08/13/06/491081306.db2.gz QFLCUYOOZKOPEL-UHFFFAOYSA-N 1 2 248.330 1.443 20 0 BDADLO CCc1cc(NCCCc2nc[nH]n2)nc(C)[nH+]1 ZINC000088760470 491108500 /nfs/dbraw/zinc/10/85/00/491108500.db2.gz RSBBFGFGVCECJQ-UHFFFAOYSA-N 1 2 246.318 1.510 20 0 BDADLO COc1ccc(NC2CC(OC)C2)[nH+]c1 ZINC000221240035 491118229 /nfs/dbraw/zinc/11/82/29/491118229.db2.gz HDUQYIMKGYNVOI-UHFFFAOYSA-N 1 2 208.261 1.680 20 0 BDADLO C[C@H](C1CC1)N(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000076830150 491125619 /nfs/dbraw/zinc/12/56/19/491125619.db2.gz TYZUMFYELUDZDT-SNVBAGLBSA-N 1 2 233.315 1.673 20 0 BDADLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ncc[nH]1 ZINC000138954026 491129771 /nfs/dbraw/zinc/12/97/71/491129771.db2.gz XCRMWFYJADHTHD-VIFPVBQESA-N 1 2 245.282 1.989 20 0 BDADLO c1cc(C[NH2+][C@H]2CCCc3cccnc32)n[nH]1 ZINC000091661295 491131335 /nfs/dbraw/zinc/13/13/35/491131335.db2.gz BTLZPGQVGBTURC-LBPRGKRZSA-N 1 2 228.299 1.972 20 0 BDADLO CCc1nnc(C[NH2+]C2CSC2)s1 ZINC000308249046 491135313 /nfs/dbraw/zinc/13/53/13/491135313.db2.gz DKDUGIGGODQNDJ-UHFFFAOYSA-N 1 2 215.347 1.306 20 0 BDADLO CCO[C@@H]1COCC[C@H]1[NH2+]CC(F)F ZINC000308587764 491137270 /nfs/dbraw/zinc/13/72/70/491137270.db2.gz JAQNHULHOZUJAN-HTQZYQBOSA-N 1 2 209.236 1.035 20 0 BDADLO Cc1nc(NCC2(CCO)CCC2)cc[nH+]1 ZINC000132685945 491137810 /nfs/dbraw/zinc/13/78/10/491137810.db2.gz TVCRTKVTNGGUKT-UHFFFAOYSA-N 1 2 221.304 1.750 20 0 BDADLO CSCC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000890873267 582582620 /nfs/dbraw/zinc/58/26/20/582582620.db2.gz CTZKZQGRISGMMR-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CSCC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000890873267 582582623 /nfs/dbraw/zinc/58/26/23/582582623.db2.gz CTZKZQGRISGMMR-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494211583 533793724 /nfs/dbraw/zinc/79/37/24/533793724.db2.gz HKWNHNIGWYMEEO-DTWKUNHWSA-N 1 2 239.331 1.687 20 0 BDADLO CSC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494211583 533793732 /nfs/dbraw/zinc/79/37/32/533793732.db2.gz HKWNHNIGWYMEEO-DTWKUNHWSA-N 1 2 239.331 1.687 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493069390 534022968 /nfs/dbraw/zinc/02/29/68/534022968.db2.gz HICNPVHODRSCSY-ALCGYSGWSA-N 1 2 205.261 1.195 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C(N)=O)co2)nc1 ZINC000494433209 534070051 /nfs/dbraw/zinc/07/00/51/534070051.db2.gz IRXDXGGKSFKKBU-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO C[C@@H]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000492892947 534148646 /nfs/dbraw/zinc/14/86/46/534148646.db2.gz FRUNGNXWMBYYIT-XWCLBKHXSA-N 1 2 249.314 1.495 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1nncs1 ZINC000174054372 534227238 /nfs/dbraw/zinc/22/72/38/534227238.db2.gz YAQZOEXGGMSZNW-OCAPTIKFSA-N 1 2 240.332 1.349 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nncs1 ZINC000174054372 534227241 /nfs/dbraw/zinc/22/72/41/534227241.db2.gz YAQZOEXGGMSZNW-OCAPTIKFSA-N 1 2 240.332 1.349 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493849551 534270191 /nfs/dbraw/zinc/27/01/91/534270191.db2.gz IHLJVEOTEYXRRD-AAOUONPWSA-N 1 2 237.278 1.774 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(C)(C)O1 ZINC000492768699 534276867 /nfs/dbraw/zinc/27/68/67/534276867.db2.gz PFFBBCSUNLNZRS-UMCURTJPSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000493714138 534277454 /nfs/dbraw/zinc/27/74/54/534277454.db2.gz ARMKTJGPMBBLCG-NESOUNQCSA-N 1 2 205.261 1.290 20 0 BDADLO Cc1nc(N(C)[C@@H](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488369055 534435141 /nfs/dbraw/zinc/43/51/41/534435141.db2.gz OTLRDRCTVPKRED-VIFPVBQESA-N 1 2 237.351 1.727 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@@H](C)C(C)C)[nH+]1 ZINC000488369055 534435146 /nfs/dbraw/zinc/43/51/46/534435146.db2.gz OTLRDRCTVPKRED-VIFPVBQESA-N 1 2 237.351 1.727 20 0 BDADLO Cc1nc(N(C)CC2CCCC2)nc(N(C)C)[nH+]1 ZINC000488415224 534435815 /nfs/dbraw/zinc/43/58/15/534435815.db2.gz GOWCAAHOCYGAJB-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)CC2CCCC2)[nH+]1 ZINC000488415224 534435820 /nfs/dbraw/zinc/43/58/20/534435820.db2.gz GOWCAAHOCYGAJB-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1cnc(CNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000492869561 534552638 /nfs/dbraw/zinc/55/26/38/534552638.db2.gz UQDOWWGTAUXEMI-NSCUHMNNSA-N 1 2 232.243 1.036 20 0 BDADLO Cc1cnc(CNC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492858206 534554075 /nfs/dbraw/zinc/55/40/75/534554075.db2.gz FKNNBLVPEBFUBG-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)N1CCn2c[nH+]cc2C1 ZINC000493120072 534793857 /nfs/dbraw/zinc/79/38/57/534793857.db2.gz PLXHHORKDFAOKM-ARJAWSKDSA-N 1 2 242.282 1.267 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(CC(F)F)C1 ZINC000493194072 534801713 /nfs/dbraw/zinc/80/17/13/534801713.db2.gz YOJILUNMKBEKHY-UPHRSURJSA-N 1 2 241.241 1.537 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCOCC1 ZINC000492856009 534802402 /nfs/dbraw/zinc/80/24/02/534802402.db2.gz BBUDQXMWQWETGM-UMBAGQNISA-N 1 2 235.287 1.108 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](F)C1 ZINC000493616212 534803352 /nfs/dbraw/zinc/80/33/52/534803352.db2.gz NXAVVTOCMQJERC-UREXNXCXSA-N 1 2 223.251 1.430 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](C/C=C\Cl)CCN12 ZINC000494085475 534810554 /nfs/dbraw/zinc/81/05/54/534810554.db2.gz JOPUGMZXYKYHGM-MAYCQVCUSA-N 1 2 230.695 1.265 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](C/C=C\Cl)CCN12 ZINC000494085475 534810562 /nfs/dbraw/zinc/81/05/62/534810562.db2.gz JOPUGMZXYKYHGM-MAYCQVCUSA-N 1 2 230.695 1.265 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC001172925313 974970062 /nfs/dbraw/zinc/97/00/62/974970062.db2.gz XNEWHZCMOFGQHC-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)=CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493111223 527393673 /nfs/dbraw/zinc/39/36/73/527393673.db2.gz CGDCTVWBBGRVHL-AATRIKPKSA-N 1 2 219.288 1.895 20 0 BDADLO C/C=C/C=C/C(=O)NCc1c[nH+]ccc1OC ZINC000492888381 527582343 /nfs/dbraw/zinc/58/23/43/527582343.db2.gz HNTVOSCIQJDPDW-VNKDHWASSA-N 1 2 232.283 1.839 20 0 BDADLO CC(C)C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492814732 527598072 /nfs/dbraw/zinc/59/80/72/527598072.db2.gz VICDOSVJRRYJKI-ARJAWSKDSA-N 1 2 233.315 1.975 20 0 BDADLO C/C=C/C=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000493863351 527600068 /nfs/dbraw/zinc/60/00/68/527600068.db2.gz WUCNLWMVUAJGON-DEQVHDEQSA-N 1 2 219.288 1.893 20 0 BDADLO C/C=C/C=C\C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000493087193 527604513 /nfs/dbraw/zinc/60/45/13/527604513.db2.gz ATNWOAYGBHYBKO-WZKPRXTQSA-N 1 2 244.285 1.480 20 0 BDADLO CC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861942 527684568 /nfs/dbraw/zinc/68/45/68/527684568.db2.gz KFBBDXRYVCRCKI-PLNGDYQASA-N 1 2 207.277 1.585 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493352518 527758207 /nfs/dbraw/zinc/75/82/07/527758207.db2.gz MVLBFGKOZXKFBR-TYRPZCRBSA-N 1 2 219.288 1.585 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493229601 527797353 /nfs/dbraw/zinc/79/73/53/527797353.db2.gz ZKBVNGKJFJOBMY-NWALNABHSA-N 1 2 235.287 1.107 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493124663 527801358 /nfs/dbraw/zinc/80/13/58/527801358.db2.gz WVGNSWUCBODXLW-HMDXOVGESA-N 1 2 219.288 1.680 20 0 BDADLO CC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCOCC1 ZINC000493313928 527932960 /nfs/dbraw/zinc/93/29/60/527932960.db2.gz BPJLOIPTFIQOEF-NSCUHMNNSA-N 1 2 249.314 1.356 20 0 BDADLO CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCCC1 ZINC000493219893 528017931 /nfs/dbraw/zinc/01/79/31/528017931.db2.gz MFHHRCGMGOJLHX-SNAWJCMRSA-N 1 2 219.288 1.872 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](O)C[C@H](C)C2)no1 ZINC000401507193 528281478 /nfs/dbraw/zinc/28/14/78/528281478.db2.gz SURSMISKBIAAFT-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)no1 ZINC000401507193 528281484 /nfs/dbraw/zinc/28/14/84/528281484.db2.gz SURSMISKBIAAFT-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)SCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492918479 528313600 /nfs/dbraw/zinc/31/36/00/528313600.db2.gz FOIKKERAOPKKNP-ARJAWSKDSA-N 1 2 239.344 1.681 20 0 BDADLO CCC[C@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492807724 528453946 /nfs/dbraw/zinc/45/39/46/528453946.db2.gz BKUYUIWNXCPIOG-QMAVJUDZSA-N 1 2 237.303 1.090 20 0 BDADLO CCOC=CC(=O)Nc1cc[nH+]cc1C ZINC000493622551 528472625 /nfs/dbraw/zinc/47/26/25/528472625.db2.gz ZCIGAQGJQUMSTE-FNORWQNLSA-N 1 2 206.245 1.301 20 0 BDADLO CCOC=CC(=O)Nc1cc[nH+]c(C)c1 ZINC000493136346 528472744 /nfs/dbraw/zinc/47/27/44/528472744.db2.gz YONHBVASEJRROT-FNORWQNLSA-N 1 2 206.245 1.301 20 0 BDADLO CCO/C=C/C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000493579722 528492303 /nfs/dbraw/zinc/49/23/03/528492303.db2.gz BOVGIZVQLBAEGW-RGGXIFFLSA-N 1 2 235.287 1.555 20 0 BDADLO CCO/C=C\C(=O)NCc1ccc[nH+]c1N(C)C ZINC000493264243 528529240 /nfs/dbraw/zinc/52/92/40/528529240.db2.gz USLSGCGZLXYVCN-CLFYSBASSA-N 1 2 249.314 1.314 20 0 BDADLO CCO/C=C\C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000492932398 528529257 /nfs/dbraw/zinc/52/92/57/528529257.db2.gz YIRILHYKFVKJNL-FPLPWBNLSA-N 1 2 249.314 1.314 20 0 BDADLO CCCCOCC[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495228849 528590776 /nfs/dbraw/zinc/59/07/76/528590776.db2.gz HJCRGJNTLQSTLA-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCOCC[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495228849 528590779 /nfs/dbraw/zinc/59/07/79/528590779.db2.gz HJCRGJNTLQSTLA-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CC(C)n1nccc1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493067892 528678738 /nfs/dbraw/zinc/67/87/38/528678738.db2.gz BVAFMSDPRYCPEH-ONEGZZNKSA-N 1 2 245.286 1.839 20 0 BDADLO CC(C)N(CC(F)F)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493105099 528865271 /nfs/dbraw/zinc/86/52/71/528865271.db2.gz LECBZWODGCCAHT-ARJAWSKDSA-N 1 2 243.257 1.925 20 0 BDADLO CCC[C@@H]([NH2+]Cc1nnn(C)n1)c1cccnc1 ZINC000494370061 529015774 /nfs/dbraw/zinc/01/57/74/529015774.db2.gz OVUOCAMFZUIBNO-LLVKDONJSA-N 1 2 246.318 1.236 20 0 BDADLO CC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[C@@H]1O ZINC000493665827 529060796 /nfs/dbraw/zinc/06/07/96/529060796.db2.gz UUTPDJFLCWSQTB-FSIBCCDJSA-N 1 2 249.314 1.042 20 0 BDADLO CCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493661175 529118036 /nfs/dbraw/zinc/11/80/36/529118036.db2.gz OLHWTVAAPRRSEM-ARJAWSKDSA-N 1 2 219.288 1.729 20 0 BDADLO CC(C)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000505761698 529136950 /nfs/dbraw/zinc/13/69/50/529136950.db2.gz IRSSYBCTBKNWFC-SNVBAGLBSA-N 1 2 236.319 1.579 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccncc1 ZINC000495207559 529264571 /nfs/dbraw/zinc/26/45/71/529264571.db2.gz YDOWMQKBYUFBOR-CYBMUJFWSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccncc1 ZINC000495207559 529264573 /nfs/dbraw/zinc/26/45/73/529264573.db2.gz YDOWMQKBYUFBOR-CYBMUJFWSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccncc1 ZINC000494971233 529265777 /nfs/dbraw/zinc/26/57/77/529265777.db2.gz HJBLODJGTXSRAH-DHCBQETCSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494971233 529265779 /nfs/dbraw/zinc/26/57/79/529265779.db2.gz HJBLODJGTXSRAH-DHCBQETCSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000507106298 529297578 /nfs/dbraw/zinc/29/75/78/529297578.db2.gz YJPFBLOLSOBMHF-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000507106298 529297581 /nfs/dbraw/zinc/29/75/81/529297581.db2.gz YJPFBLOLSOBMHF-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493551607 529346911 /nfs/dbraw/zinc/34/69/11/529346911.db2.gz JWEXQPRAVKIOAE-HMDXOVGESA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)CC(C(=O)Nc2cc[nH+]cc2O)C1 ZINC000335942200 535281119 /nfs/dbraw/zinc/28/11/19/535281119.db2.gz GVNIUOYPIWAYGP-UHFFFAOYSA-N 1 2 220.272 1.584 20 0 BDADLO CCOC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000048561203 535403080 /nfs/dbraw/zinc/40/30/80/535403080.db2.gz ZYQYPYVWDBIRHQ-NSHDSACASA-N 1 2 249.314 1.797 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccoc1 ZINC000342645359 535443004 /nfs/dbraw/zinc/44/30/04/535443004.db2.gz CWFTWAXIZLXNDT-JTQLQIEISA-N 1 2 211.261 1.663 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccoc1 ZINC000342645359 535443011 /nfs/dbraw/zinc/44/30/11/535443011.db2.gz CWFTWAXIZLXNDT-JTQLQIEISA-N 1 2 211.261 1.663 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250039449 535449943 /nfs/dbraw/zinc/44/99/43/535449943.db2.gz CNGPBXUQRIHDBO-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250039449 535449948 /nfs/dbraw/zinc/44/99/48/535449948.db2.gz CNGPBXUQRIHDBO-ZJUUUORDSA-N 1 2 229.320 1.437 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000181032780 535572573 /nfs/dbraw/zinc/57/25/73/535572573.db2.gz HDQMZKUFMQVEPL-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000181032780 535572576 /nfs/dbraw/zinc/57/25/76/535572576.db2.gz HDQMZKUFMQVEPL-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CCOCC[N@H+](CC)[C@@H](C)c1noc(C)n1 ZINC000351487454 535587021 /nfs/dbraw/zinc/58/70/21/535587021.db2.gz AXKSJPYQGZOXMD-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO CCOCC[N@@H+](CC)[C@@H](C)c1noc(C)n1 ZINC000351487454 535587025 /nfs/dbraw/zinc/58/70/25/535587025.db2.gz AXKSJPYQGZOXMD-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000252443384 535626528 /nfs/dbraw/zinc/62/65/28/535626528.db2.gz SBYZUEYIJXIUPO-OUAUKWLOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000252443384 535626532 /nfs/dbraw/zinc/62/65/32/535626532.db2.gz SBYZUEYIJXIUPO-OUAUKWLOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCOC(C)(C)C1 ZINC000077901448 535646910 /nfs/dbraw/zinc/64/69/10/535646910.db2.gz BFNCYQCGQNIXHU-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCOC(C)(C)C1 ZINC000077901448 535646914 /nfs/dbraw/zinc/64/69/14/535646914.db2.gz BFNCYQCGQNIXHU-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCN1CC[N@H+](CC)[C@H](c2cnn(C)c2)C1 ZINC000335739799 535674249 /nfs/dbraw/zinc/67/42/49/535674249.db2.gz PNBAFUBSUKJCEP-LBPRGKRZSA-N 1 2 222.336 1.119 20 0 BDADLO CCN1CC[N@@H+](CC)[C@H](c2cnn(C)c2)C1 ZINC000335739799 535674252 /nfs/dbraw/zinc/67/42/52/535674252.db2.gz PNBAFUBSUKJCEP-LBPRGKRZSA-N 1 2 222.336 1.119 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335928802 535813736 /nfs/dbraw/zinc/81/37/36/535813736.db2.gz IIYWVXIRVDXHOA-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335928802 535813737 /nfs/dbraw/zinc/81/37/37/535813737.db2.gz IIYWVXIRVDXHOA-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335599866 536083141 /nfs/dbraw/zinc/08/31/41/536083141.db2.gz SQUAJKWQCWRTEG-WPRPVWTQSA-N 1 2 239.344 1.401 20 0 BDADLO CCc1nc(N2CCc3n[nH]cc3C2)cc(C)[nH+]1 ZINC000285957846 536125704 /nfs/dbraw/zinc/12/57/04/536125704.db2.gz AFZDSIUOJGWREG-UHFFFAOYSA-N 1 2 243.314 1.633 20 0 BDADLO CCc1nnc(C[N@@H+]2CCn3cccc3[C@H]2C)[nH]1 ZINC000184568260 536139027 /nfs/dbraw/zinc/13/90/27/536139027.db2.gz SUVXZHQTNLPTMY-SNVBAGLBSA-N 1 2 245.330 1.745 20 0 BDADLO CCc1nnc(C[N@H+]2CCn3cccc3[C@H]2C)[nH]1 ZINC000184568260 536139028 /nfs/dbraw/zinc/13/90/28/536139028.db2.gz SUVXZHQTNLPTMY-SNVBAGLBSA-N 1 2 245.330 1.745 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)nc1 ZINC000336113987 536177575 /nfs/dbraw/zinc/17/75/75/536177575.db2.gz UGOWDYSNCMRWHE-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)C2(C)C)nc1 ZINC000336113987 536177576 /nfs/dbraw/zinc/17/75/76/536177576.db2.gz UGOWDYSNCMRWHE-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CNC(=O)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335610728 536367153 /nfs/dbraw/zinc/36/71/53/536367153.db2.gz YDAVSWBWRBETIH-SECBINFHSA-N 1 2 244.298 1.135 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCCc1cnccc1C ZINC000348378542 536636640 /nfs/dbraw/zinc/63/66/40/536636640.db2.gz JOJBAPVNNOKLGN-NSHDSACASA-N 1 2 236.315 1.474 20 0 BDADLO CCn1cc(C[NH2+]Cc2nccs2)c(C)n1 ZINC000892641383 582936410 /nfs/dbraw/zinc/93/64/10/582936410.db2.gz SDQBZJXYNMXOKE-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085825706 566340414 /nfs/dbraw/zinc/34/04/14/566340414.db2.gz LMIKIKNJMABGJU-JTQLQIEISA-N 1 2 238.335 1.146 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825706 566340420 /nfs/dbraw/zinc/34/04/20/566340420.db2.gz LMIKIKNJMABGJU-JTQLQIEISA-N 1 2 238.335 1.146 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCS1 ZINC000334372376 566394653 /nfs/dbraw/zinc/39/46/53/566394653.db2.gz RLKWRWLXBDTLMO-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCS1 ZINC000334372376 566394657 /nfs/dbraw/zinc/39/46/57/566394657.db2.gz RLKWRWLXBDTLMO-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO Cc1ccc(CNc2cc[nH+]cc2F)cn1 ZINC000335604174 566405521 /nfs/dbraw/zinc/40/55/21/566405521.db2.gz NFCGTCZTBMSDJZ-UHFFFAOYSA-N 1 2 217.247 1.958 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000352156839 566472646 /nfs/dbraw/zinc/47/26/46/566472646.db2.gz OOVAVFJTASJZPW-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000352156839 566472654 /nfs/dbraw/zinc/47/26/54/566472654.db2.gz OOVAVFJTASJZPW-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO C[C@H](CCCO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892884371 583005260 /nfs/dbraw/zinc/00/52/60/583005260.db2.gz ZEFGNYXBHPQKHM-ZJUUUORDSA-N 1 2 224.304 1.708 20 0 BDADLO C[C@@H]1CC[C@H](C)N1c1cc(N(C)C)[nH+]cn1 ZINC000892899355 583006857 /nfs/dbraw/zinc/00/68/57/583006857.db2.gz KFSKQGUQIAIKNG-AOOOYVTPSA-N 1 2 220.320 1.920 20 0 BDADLO C[C@@H]1CC[C@H](C)N1c1cc(N(C)C)nc[nH+]1 ZINC000892899355 583006858 /nfs/dbraw/zinc/00/68/58/583006858.db2.gz KFSKQGUQIAIKNG-AOOOYVTPSA-N 1 2 220.320 1.920 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@H]1CCCO1 ZINC000745078034 583022997 /nfs/dbraw/zinc/02/29/97/583022997.db2.gz ACBYRUZTDKXSKE-MNOVXSKESA-N 1 2 227.304 1.193 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@H]1CCCO1 ZINC000745078034 583023001 /nfs/dbraw/zinc/02/30/01/583023001.db2.gz ACBYRUZTDKXSKE-MNOVXSKESA-N 1 2 227.304 1.193 20 0 BDADLO Cc1[nH]c(CN(CC(F)F)C[C@H](C)O)[nH+]c1C ZINC000628300342 583150591 /nfs/dbraw/zinc/15/05/91/583150591.db2.gz AMVZNPSDAMCSII-ZETCQYMHSA-N 1 2 247.289 1.474 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000893872254 583237602 /nfs/dbraw/zinc/23/76/02/583237602.db2.gz PLIANNGSKCBBCA-JTQLQIEISA-N 1 2 223.320 1.490 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000893872254 583237606 /nfs/dbraw/zinc/23/76/06/583237606.db2.gz PLIANNGSKCBBCA-JTQLQIEISA-N 1 2 223.320 1.490 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](CCO)C2CC2)n1 ZINC000893943659 583256026 /nfs/dbraw/zinc/25/60/26/583256026.db2.gz BISUNNSAQSKZQP-UHFFFAOYSA-N 1 2 223.320 1.490 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000894118037 583310012 /nfs/dbraw/zinc/31/00/12/583310012.db2.gz GOUMVFGOMXKABK-HLTSFMKQSA-N 1 2 208.261 1.070 20 0 BDADLO C[C@@H](NC(=S)NCC1CC1)c1[nH+]ccn1C ZINC000853044605 588717623 /nfs/dbraw/zinc/71/76/23/588717623.db2.gz LKBMGWPXQSEPLD-MRVPVSSYSA-N 1 2 238.360 1.355 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853107370 588720861 /nfs/dbraw/zinc/72/08/61/588720861.db2.gz RIWIKGKTXDPDIF-VIFPVBQESA-N 1 2 216.231 1.360 20 0 BDADLO Cc1nn(C[N@@H+](C)C(C2CC2)C2CC2)c(=O)o1 ZINC000853492885 588745892 /nfs/dbraw/zinc/74/58/92/588745892.db2.gz DTQMSFJQGRZCFR-UHFFFAOYSA-N 1 2 237.303 1.223 20 0 BDADLO Cc1nn(C[N@H+](C)C(C2CC2)C2CC2)c(=O)o1 ZINC000853492885 588745893 /nfs/dbraw/zinc/74/58/93/588745893.db2.gz DTQMSFJQGRZCFR-UHFFFAOYSA-N 1 2 237.303 1.223 20 0 BDADLO CCC1CC[NH+](Cn2nc(C)oc2=O)CC1 ZINC000853490891 588746016 /nfs/dbraw/zinc/74/60/16/588746016.db2.gz HYLSHNUJSLPREX-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO CC[C@H](C)C[N@H+](CC)Cn1nc(C)oc1=O ZINC000853501733 588746523 /nfs/dbraw/zinc/74/65/23/588746523.db2.gz XOFSNFAWPBEXMZ-VIFPVBQESA-N 1 2 227.308 1.470 20 0 BDADLO CC[C@H](C)C[N@@H+](CC)Cn1nc(C)oc1=O ZINC000853501733 588746524 /nfs/dbraw/zinc/74/65/24/588746524.db2.gz XOFSNFAWPBEXMZ-VIFPVBQESA-N 1 2 227.308 1.470 20 0 BDADLO CC[C@H](CSC)[N@H+](C)Cn1nc(C)oc1=O ZINC000853505030 588746751 /nfs/dbraw/zinc/74/67/51/588746751.db2.gz HHPMPAHRDOQPMW-SECBINFHSA-N 1 2 245.348 1.176 20 0 BDADLO CC[C@H](CSC)[N@@H+](C)Cn1nc(C)oc1=O ZINC000853505030 588746752 /nfs/dbraw/zinc/74/67/52/588746752.db2.gz HHPMPAHRDOQPMW-SECBINFHSA-N 1 2 245.348 1.176 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(c1ncnc3c1CCC3)C2 ZINC000853636976 588751354 /nfs/dbraw/zinc/75/13/54/588751354.db2.gz MOVIXEOOEDPNOM-UHFFFAOYSA-N 1 2 241.298 1.251 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCOC(F)F ZINC000853657629 588753116 /nfs/dbraw/zinc/75/31/16/588753116.db2.gz DWPZFCKANFTQAE-UHFFFAOYSA-N 1 2 226.223 1.149 20 0 BDADLO CC(C)(C)C(=O)NOCc1ccc[nH+]c1N ZINC000853664416 588753899 /nfs/dbraw/zinc/75/38/99/588753899.db2.gz OSCMKHFOKJQGEG-UHFFFAOYSA-N 1 2 223.276 1.258 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cnc(F)cn2)c2[nH+]ccn21 ZINC000853668538 588753996 /nfs/dbraw/zinc/75/39/96/588753996.db2.gz QXXFZDSZIFQVCN-HTQZYQBOSA-N 1 2 233.250 1.930 20 0 BDADLO C[C@H]1C[C@@H](Nc2cnc(F)cn2)c2[nH+]ccn21 ZINC000853668539 588754211 /nfs/dbraw/zinc/75/42/11/588754211.db2.gz QXXFZDSZIFQVCN-JGVFFNPUSA-N 1 2 233.250 1.930 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCC1CCC1 ZINC000853673928 588754824 /nfs/dbraw/zinc/75/48/24/588754824.db2.gz MMXGDVAUVDJRTR-MRVPVSSYSA-N 1 2 200.282 1.710 20 0 BDADLO NC(=[NH+]OCC1CC=CC1)[C@H]1CCCO1 ZINC000853696775 588757357 /nfs/dbraw/zinc/75/73/57/588757357.db2.gz BYABDOMBCPWCJH-SNVBAGLBSA-N 1 2 210.277 1.630 20 0 BDADLO CC(C)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000853698705 588757627 /nfs/dbraw/zinc/75/76/27/588757627.db2.gz SAKFZGPUJWQCNZ-DTWKUNHWSA-N 1 2 200.282 1.708 20 0 BDADLO CC(C)[C@H](C)O[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000853727781 588759787 /nfs/dbraw/zinc/75/97/87/588759787.db2.gz HVVREJKSGHNBDD-QWRGUYRKSA-N 1 2 244.335 1.725 20 0 BDADLO COC(=O)N(C)CCN(C)c1cccc[nH+]1 ZINC000853867540 588766835 /nfs/dbraw/zinc/76/68/35/588766835.db2.gz YYPLJAFTKXEMDE-UHFFFAOYSA-N 1 2 223.276 1.216 20 0 BDADLO CC[C@H](C)N(CC)C(=O)NCc1c[nH+]cn1C ZINC000854066798 588772710 /nfs/dbraw/zinc/77/27/10/588772710.db2.gz FUTJTLNXILUKGB-JTQLQIEISA-N 1 2 238.335 1.750 20 0 BDADLO c1n[nH]c2c1C[N@@H+](C[C@@H]1CCCOC1)CCC2 ZINC000854055872 588772725 /nfs/dbraw/zinc/77/27/25/588772725.db2.gz XVZSDTZDBXXWJU-NSHDSACASA-N 1 2 235.331 1.585 20 0 BDADLO Cn1c[nH+]cc1-c1cnn([C@H]2CCCCO2)c1 ZINC000854207045 588779348 /nfs/dbraw/zinc/77/93/48/588779348.db2.gz FFOPMUSVHCUDJW-GFCCVEGCSA-N 1 2 232.287 1.983 20 0 BDADLO C[C@H](CC(=O)NC1=[NH+]CCS1)[C@H]1CCCO1 ZINC000854293072 588782239 /nfs/dbraw/zinc/78/22/39/588782239.db2.gz LTEOQIQMNYVGEG-RKDXNWHRSA-N 1 2 242.344 1.411 20 0 BDADLO CCC(CC)N(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000854488504 588789381 /nfs/dbraw/zinc/78/93/81/588789381.db2.gz DMRUFACPXDGNCB-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](C2CC2)C1 ZINC000854487482 588789385 /nfs/dbraw/zinc/78/93/85/588789385.db2.gz ORTZUDPNVJHQAM-NSHDSACASA-N 1 2 233.315 1.601 20 0 BDADLO CCO/C=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595184 588796166 /nfs/dbraw/zinc/79/61/66/588796166.db2.gz VGFGIRRCRDWHOX-RBMBQVQZSA-N 1 2 209.249 1.137 20 0 BDADLO CCOC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595184 588796167 /nfs/dbraw/zinc/79/61/67/588796167.db2.gz VGFGIRRCRDWHOX-RBMBQVQZSA-N 1 2 209.249 1.137 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CC2(CC2)C1 ZINC000854498615 588789634 /nfs/dbraw/zinc/78/96/34/588789634.db2.gz HYFAPCFYDVCLIK-UHFFFAOYSA-N 1 2 219.288 1.227 20 0 BDADLO O=C(CC[C@H]1CCCCO1)NC1=[NH+]CCS1 ZINC000112589242 588804477 /nfs/dbraw/zinc/80/44/77/588804477.db2.gz VSYCOKQCUJVXKG-SECBINFHSA-N 1 2 242.344 1.555 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1ncccc1F ZINC000854686085 588801255 /nfs/dbraw/zinc/80/12/55/588801255.db2.gz RTJOHGYGNGZTCU-SECBINFHSA-N 1 2 246.245 1.292 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1=CCCCC1 ZINC000854687516 588801551 /nfs/dbraw/zinc/80/15/51/588801551.db2.gz MJDFIPIGTLAAMD-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO CC1=NO[C@H](C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000854845201 588813033 /nfs/dbraw/zinc/81/30/33/588813033.db2.gz KVROVDNPMZTQCQ-UTLUCORTSA-N 1 2 248.286 1.170 20 0 BDADLO CCn1cc([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000854853961 588813525 /nfs/dbraw/zinc/81/35/25/588813525.db2.gz KTCQBRUIGIZRAZ-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CC[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000854960241 588818902 /nfs/dbraw/zinc/81/89/02/588818902.db2.gz AIAOPLAMJMRNPR-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO CS/C=C\C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134625 588822784 /nfs/dbraw/zinc/82/27/84/588822784.db2.gz UWSDWKVQLZUIIC-ARJAWSKDSA-N 1 2 211.290 1.245 20 0 BDADLO CS/C=C\C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134625 588822785 /nfs/dbraw/zinc/82/27/85/588822785.db2.gz UWSDWKVQLZUIIC-ARJAWSKDSA-N 1 2 211.290 1.245 20 0 BDADLO CC/C=C(\C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134701 588822902 /nfs/dbraw/zinc/82/29/02/588822902.db2.gz XIFRZWURMBCORN-WEVVVXLNSA-N 1 2 207.277 1.724 20 0 BDADLO CC/C=C(\C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134701 588822903 /nfs/dbraw/zinc/82/29/03/588822903.db2.gz XIFRZWURMBCORN-WEVVVXLNSA-N 1 2 207.277 1.724 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C/[C@@H]1CCCO1 ZINC000855135265 588823358 /nfs/dbraw/zinc/82/33/58/588823358.db2.gz IQYUYXWDXWVMMV-ZWNMCFTASA-N 1 2 235.287 1.103 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C/[C@@H]1CCCO1 ZINC000855135265 588823359 /nfs/dbraw/zinc/82/33/59/588823359.db2.gz IQYUYXWDXWVMMV-ZWNMCFTASA-N 1 2 235.287 1.103 20 0 BDADLO CCC[C@@H]([NH2+]Cc1cnn(C)n1)c1cccnc1 ZINC000806168461 582522808 /nfs/dbraw/zinc/52/28/08/582522808.db2.gz NKZKQDTUNUJXHM-CYBMUJFWSA-N 1 2 245.330 1.841 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1C=CCC1 ZINC000855422816 588832821 /nfs/dbraw/zinc/83/28/21/588832821.db2.gz YLAVYSZCQMIUDG-NSHDSACASA-N 1 2 241.294 1.712 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000855427904 588834132 /nfs/dbraw/zinc/83/41/32/588834132.db2.gz PMGSPBIBVVMWIN-QWRGUYRKSA-N 1 2 231.299 1.280 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000855432806 588835793 /nfs/dbraw/zinc/83/57/93/588835793.db2.gz BLERNBNILXHASB-ZJUUUORDSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000855432806 588835794 /nfs/dbraw/zinc/83/57/94/588835794.db2.gz BLERNBNILXHASB-ZJUUUORDSA-N 1 2 231.299 1.349 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@@H]1C[C@@H]1C ZINC000890854491 582580997 /nfs/dbraw/zinc/58/09/97/582580997.db2.gz DTYZUYAXVLOGOX-GXSJLCMTSA-N 1 2 243.310 1.915 20 0 BDADLO COCCC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000890854746 582581544 /nfs/dbraw/zinc/58/15/44/582581544.db2.gz JIUVWVOTXKPCNI-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO CSCC(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000890874097 582581817 /nfs/dbraw/zinc/58/18/17/582581817.db2.gz KRJPWBNMFZBMCW-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449219 582589041 /nfs/dbraw/zinc/58/90/41/582589041.db2.gz FMMSOVHEHGHDIV-XHNCKOQMSA-N 1 2 233.258 1.525 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449219 582589042 /nfs/dbraw/zinc/58/90/42/582589042.db2.gz FMMSOVHEHGHDIV-XHNCKOQMSA-N 1 2 233.258 1.525 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C)C(C)(C)C1(C)C ZINC000891163563 582617833 /nfs/dbraw/zinc/61/78/33/582617833.db2.gz XIQPFGOSVWKMSL-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CC1(C)C[N@H+](Cc2ccoc2)[C@@H]2COC[C@H]2O1 ZINC000846117296 582651362 /nfs/dbraw/zinc/65/13/62/582651362.db2.gz BUNIRVXEWRLQQB-VXGBXAGGSA-N 1 2 237.299 1.658 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccoc2)[C@@H]2COC[C@H]2O1 ZINC000846117296 582651366 /nfs/dbraw/zinc/65/13/66/582651366.db2.gz BUNIRVXEWRLQQB-VXGBXAGGSA-N 1 2 237.299 1.658 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C3CCC3)c2)CCO1 ZINC000891542210 582696110 /nfs/dbraw/zinc/69/61/10/582696110.db2.gz LFQBDMSOLFCJDC-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)CCO1 ZINC000891542210 582696112 /nfs/dbraw/zinc/69/61/12/582696112.db2.gz LFQBDMSOLFCJDC-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2C2CC2)[C@@H](C)CO1 ZINC000891671638 582708707 /nfs/dbraw/zinc/70/87/07/582708707.db2.gz QIZZAQYTJVIRKA-WDEREUQCSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)[C@@H](C)CO1 ZINC000891671638 582708709 /nfs/dbraw/zinc/70/87/09/582708709.db2.gz QIZZAQYTJVIRKA-WDEREUQCSA-N 1 2 249.358 1.907 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cn(CC)nc1C ZINC000891715570 582712855 /nfs/dbraw/zinc/71/28/55/582712855.db2.gz FIWVRVLTSFRNBL-CYBMUJFWSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cn(CC)nc1C ZINC000891715570 582712858 /nfs/dbraw/zinc/71/28/58/582712858.db2.gz FIWVRVLTSFRNBL-CYBMUJFWSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cn(CC)nc1C ZINC000891715571 582713230 /nfs/dbraw/zinc/71/32/30/582713230.db2.gz FIWVRVLTSFRNBL-ZDUSSCGKSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cn(CC)nc1C ZINC000891715571 582713233 /nfs/dbraw/zinc/71/32/33/582713233.db2.gz FIWVRVLTSFRNBL-ZDUSSCGKSA-N 1 2 237.347 1.822 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnccn2)o1 ZINC000891823185 582726474 /nfs/dbraw/zinc/72/64/74/582726474.db2.gz MCINOTPLKLZCGS-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnccn2)o1 ZINC000891823185 582726476 /nfs/dbraw/zinc/72/64/76/582726476.db2.gz MCINOTPLKLZCGS-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CCc1cc(N2CCC(CO)CC2)nc(CC)[nH+]1 ZINC000891845509 582729051 /nfs/dbraw/zinc/72/90/51/582729051.db2.gz OUZOLMGRCFMTCN-UHFFFAOYSA-N 1 2 249.358 1.810 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(O)c(F)c1 ZINC000892007142 582760402 /nfs/dbraw/zinc/76/04/02/582760402.db2.gz FVZKLVQBTNBUAS-UHFFFAOYSA-N 1 2 235.262 1.886 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(O)c(F)c1 ZINC000892007142 582760403 /nfs/dbraw/zinc/76/04/03/582760403.db2.gz FVZKLVQBTNBUAS-UHFFFAOYSA-N 1 2 235.262 1.886 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cc[nH]n2)c(C)n1 ZINC000892013886 582760786 /nfs/dbraw/zinc/76/07/86/582760786.db2.gz YWRXHBUYKRDGDK-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cc[nH]n2)c(C)n1 ZINC000892013886 582760788 /nfs/dbraw/zinc/76/07/88/582760788.db2.gz YWRXHBUYKRDGDK-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO COC[C@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000892025795 582764692 /nfs/dbraw/zinc/76/46/92/582764692.db2.gz WMTMDWASDIWTED-SECBINFHSA-N 1 2 224.308 1.237 20 0 BDADLO COC[C@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000892025795 582764693 /nfs/dbraw/zinc/76/46/93/582764693.db2.gz WMTMDWASDIWTED-SECBINFHSA-N 1 2 224.308 1.237 20 0 BDADLO CCc1cc(N2CCCOCC2)nc(CC)[nH+]1 ZINC000892125783 582795368 /nfs/dbraw/zinc/79/53/68/582795368.db2.gz MQYYXKOUUPSVJY-UHFFFAOYSA-N 1 2 235.331 1.828 20 0 BDADLO CCCN(C)c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892122685 582795894 /nfs/dbraw/zinc/79/58/94/582795894.db2.gz ZUVITKWVFFIHCK-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCCN(C)c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892122685 582795895 /nfs/dbraw/zinc/79/58/95/582795895.db2.gz ZUVITKWVFFIHCK-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCc1cc(NCC(C)(C)O)nc(CC)[nH+]1 ZINC000892308208 582835361 /nfs/dbraw/zinc/83/53/61/582835361.db2.gz GHXXDSOEQWPIJJ-UHFFFAOYSA-N 1 2 223.320 1.784 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]2C[C@@H]2C1 ZINC000856064149 588858943 /nfs/dbraw/zinc/85/89/43/588858943.db2.gz WIASYTGCSXZPJS-GHMZBOCLSA-N 1 2 241.294 1.816 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1=CCCC1 ZINC000856097063 588860311 /nfs/dbraw/zinc/86/03/11/588860311.db2.gz YCISLATUFOOXCV-UHFFFAOYSA-N 1 2 205.261 1.179 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cc(NC)nc[nH+]1 ZINC000892502835 582899439 /nfs/dbraw/zinc/89/94/39/582899439.db2.gz XOZUOEAVNAQDOX-IUCAKERBSA-N 1 2 224.308 1.337 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@H]2C[C@@]2(CO)C1 ZINC000782407214 582901113 /nfs/dbraw/zinc/90/11/13/582901113.db2.gz OTBMEVZSYFAWOE-YGRLFVJLSA-N 1 2 243.310 1.392 20 0 BDADLO CCc1cc(N(C)CC(C)(C)O)nc(CC)[nH+]1 ZINC000892540902 582908860 /nfs/dbraw/zinc/90/88/60/582908860.db2.gz UKGWRZMQCDYXDG-UHFFFAOYSA-N 1 2 237.347 1.809 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cc(C(F)F)ncn1 ZINC000892559994 582914395 /nfs/dbraw/zinc/91/43/95/582914395.db2.gz SABHXXKMCTVZNV-UHFFFAOYSA-N 1 2 239.229 1.774 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](C2CCC2)C1 ZINC000856171412 588863610 /nfs/dbraw/zinc/86/36/10/588863610.db2.gz MCPBRQMLJAEHNA-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO COC[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892633339 582934462 /nfs/dbraw/zinc/93/44/62/582934462.db2.gz QWOJIQCUCBAZOE-JTQLQIEISA-N 1 2 232.287 1.202 20 0 BDADLO Cc1cc(N2CC[C@H](CO)C2)nc(C2CCC2)[nH+]1 ZINC000892636946 582935031 /nfs/dbraw/zinc/93/50/31/582935031.db2.gz IMVBWPYAKVLSKC-NSHDSACASA-N 1 2 247.342 1.871 20 0 BDADLO C[C@@H](CNc1cccc([C@@H](C)O)[nH+]1)C[C@H](C)O ZINC000892644025 582936941 /nfs/dbraw/zinc/93/69/41/582936941.db2.gz AEKNHSLIFRIODO-OUAUKWLOSA-N 1 2 238.331 1.954 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@H](C)C[C@H](C)O)[nH+]1 ZINC000892644024 582937465 /nfs/dbraw/zinc/93/74/65/582937465.db2.gz AEKNHSLIFRIODO-GARJFASQSA-N 1 2 238.331 1.954 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)on2)nc1 ZINC000892676691 582950096 /nfs/dbraw/zinc/95/00/96/582950096.db2.gz PFACMFMDBHJZLQ-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856276964 588866497 /nfs/dbraw/zinc/86/64/97/588866497.db2.gz FCJHVBSJNOFLDE-OLKPEBQYSA-N 1 2 221.304 1.954 20 0 BDADLO C/C(=C\C(=O)N[C@H](C)c1[nH+]ccn1C)C1CC1 ZINC000856276744 588866583 /nfs/dbraw/zinc/86/65/83/588866583.db2.gz CNPKKZQPYZLLTR-AAXQSMANSA-N 1 2 233.315 1.954 20 0 BDADLO CC[C@H](C[C@@H](C)CO)Nc1cc(NC)nc[nH+]1 ZINC000892744928 582975228 /nfs/dbraw/zinc/97/52/28/582975228.db2.gz HDXUXSBKVMLHLG-NXEZZACHSA-N 1 2 238.335 1.727 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279878 588866777 /nfs/dbraw/zinc/86/67/77/588866777.db2.gz HESVYZLVZQPOEH-DTWKUNHWSA-N 1 2 227.283 1.591 20 0 BDADLO C[C@H](NC(=O)C1(C(F)F)CC1)c1[nH+]ccn1C ZINC000856279319 588866876 /nfs/dbraw/zinc/86/68/76/588866876.db2.gz FRKXEFRNIGCZOG-ZETCQYMHSA-N 1 2 243.257 1.643 20 0 BDADLO CC[C@@H](CO)Nc1cc(NC2CC=CC2)[nH+]cn1 ZINC000892918041 583009509 /nfs/dbraw/zinc/00/95/09/583009509.db2.gz VPXJUMYIXIXNCK-JTQLQIEISA-N 1 2 248.330 1.790 20 0 BDADLO CC[C@@H](CO)Nc1cc(NC2CC=CC2)nc[nH+]1 ZINC000892918041 583009510 /nfs/dbraw/zinc/00/95/10/583009510.db2.gz VPXJUMYIXIXNCK-JTQLQIEISA-N 1 2 248.330 1.790 20 0 BDADLO CC[C@@H](O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000892935743 583012148 /nfs/dbraw/zinc/01/21/48/583012148.db2.gz CFOGQBNLDNNFGU-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CC[C@@H](O)CCNc1cc(N(C)C)[nH+]cn1 ZINC000892935743 583012150 /nfs/dbraw/zinc/01/21/50/583012150.db2.gz CFOGQBNLDNNFGU-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CNc1cc(N2CC[C@H]([C@H]3CCOC3)C2)nc[nH+]1 ZINC000892950038 583016875 /nfs/dbraw/zinc/01/68/75/583016875.db2.gz KNXJBJVAMSVNPB-QWRGUYRKSA-N 1 2 248.330 1.381 20 0 BDADLO CNc1cc(N2CC[C@H]([C@H]3CCOC3)C2)[nH+]cn1 ZINC000892950038 583016877 /nfs/dbraw/zinc/01/68/77/583016877.db2.gz KNXJBJVAMSVNPB-QWRGUYRKSA-N 1 2 248.330 1.381 20 0 BDADLO CNc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)nc[nH+]1 ZINC000892950039 583016996 /nfs/dbraw/zinc/01/69/96/583016996.db2.gz KNXJBJVAMSVNPB-WDEREUQCSA-N 1 2 248.330 1.381 20 0 BDADLO CNc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)[nH+]cn1 ZINC000892950039 583017000 /nfs/dbraw/zinc/01/70/00/583017000.db2.gz KNXJBJVAMSVNPB-WDEREUQCSA-N 1 2 248.330 1.381 20 0 BDADLO CCc1cc(N2C[C@@H](O)[C@@H](CC)C2)nc(CC)[nH+]1 ZINC000893031443 583033124 /nfs/dbraw/zinc/03/31/24/583033124.db2.gz ZLGVJNVCUNTKCM-CMPLNLGQSA-N 1 2 249.358 1.809 20 0 BDADLO CCc1cc(N2CC(F)C2)nc(CC)[nH+]1 ZINC000893136491 583055786 /nfs/dbraw/zinc/05/57/86/583055786.db2.gz TZVMWXQMJDXGDV-UHFFFAOYSA-N 1 2 209.268 1.760 20 0 BDADLO C[N@H+](CCS(=O)(=O)C1CCCCC1)C1CC1 ZINC000856722874 588875081 /nfs/dbraw/zinc/87/50/81/588875081.db2.gz RVBWZLIOMFZOQA-UHFFFAOYSA-N 1 2 245.388 1.828 20 0 BDADLO C[N@@H+](CCS(=O)(=O)C1CCCCC1)C1CC1 ZINC000856722874 588875082 /nfs/dbraw/zinc/87/50/82/588875082.db2.gz RVBWZLIOMFZOQA-UHFFFAOYSA-N 1 2 245.388 1.828 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)CC1CC1)C(=O)OC(C)(C)C ZINC000893210710 583071549 /nfs/dbraw/zinc/07/15/49/583071549.db2.gz OFGLPKCJQPWQQC-GXSJLCMTSA-N 1 2 243.347 1.467 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H](O)C2(C)C)[nH+]cn1 ZINC000893267900 583081182 /nfs/dbraw/zinc/08/11/82/583081182.db2.gz YBXZVZYJXBUMSF-BDAKNGLRSA-N 1 2 236.319 1.114 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000893267900 583081183 /nfs/dbraw/zinc/08/11/83/583081183.db2.gz YBXZVZYJXBUMSF-BDAKNGLRSA-N 1 2 236.319 1.114 20 0 BDADLO CNc1cc(N[C@H]2CCC[C@@H]2CCO)[nH+]cn1 ZINC000893282960 583084857 /nfs/dbraw/zinc/08/48/57/583084857.db2.gz PTNBYLQQIFDXIH-ZJUUUORDSA-N 1 2 236.319 1.481 20 0 BDADLO CCO/C=C/C(=O)OCCc1c[nH+]cn1C ZINC000840590041 583093971 /nfs/dbraw/zinc/09/39/71/583093971.db2.gz SJRCOGZZCVSRLY-AATRIKPKSA-N 1 2 224.260 1.056 20 0 BDADLO CCCc1ncc(C[NH2+]Cc2cnccn2)o1 ZINC000856790425 588878427 /nfs/dbraw/zinc/87/84/27/588878427.db2.gz YUFNLXOKZQFHQN-UHFFFAOYSA-N 1 2 232.287 1.707 20 0 BDADLO CO[C@@H](C)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893396934 583135511 /nfs/dbraw/zinc/13/55/11/583135511.db2.gz MXCVQKATRNLFGJ-DTWKUNHWSA-N 1 2 210.277 1.582 20 0 BDADLO CNc1cc(N(C)Cc2ccc(C)cn2)nc[nH+]1 ZINC000893435968 583142934 /nfs/dbraw/zinc/14/29/34/583142934.db2.gz HWWDOXPZHCXUAT-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CNc1cc(N(C)Cc2ccc(C)cn2)[nH+]cn1 ZINC000893435968 583142935 /nfs/dbraw/zinc/14/29/35/583142935.db2.gz HWWDOXPZHCXUAT-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](CO)CC(F)F)[nH+]1 ZINC000893490004 583153242 /nfs/dbraw/zinc/15/32/42/583153242.db2.gz LGFGJWRJAUSMAV-SFYZADRCSA-N 1 2 246.257 1.563 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nccn1C1CC1 ZINC000893544682 583160538 /nfs/dbraw/zinc/16/05/38/583160538.db2.gz GQRNMDPSSDIVIB-SECBINFHSA-N 1 2 209.293 1.031 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nccn1C1CC1 ZINC000893544682 583160539 /nfs/dbraw/zinc/16/05/39/583160539.db2.gz GQRNMDPSSDIVIB-SECBINFHSA-N 1 2 209.293 1.031 20 0 BDADLO CCn1cncc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000893555321 583163697 /nfs/dbraw/zinc/16/36/97/583163697.db2.gz HDBQNVVZOFCHSJ-QLJPJBMISA-N 1 2 243.376 1.102 20 0 BDADLO CCn1cncc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000893555321 583163698 /nfs/dbraw/zinc/16/36/98/583163698.db2.gz HDBQNVVZOFCHSJ-QLJPJBMISA-N 1 2 243.376 1.102 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@H](C)C[S@@](C)=O ZINC000893555321 583163700 /nfs/dbraw/zinc/16/37/00/583163700.db2.gz HDBQNVVZOFCHSJ-QLJPJBMISA-N 1 2 243.376 1.102 20 0 BDADLO C[C@@H](O)CCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893561832 583164233 /nfs/dbraw/zinc/16/42/33/583164233.db2.gz NAFHSVWDZIHENT-ZJUUUORDSA-N 1 2 224.304 1.708 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)C2CC(O)C2)c1Cl ZINC000893577497 583166620 /nfs/dbraw/zinc/16/66/20/583166620.db2.gz FYKCUVXZLOSYTA-UHFFFAOYSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)C2CC(O)C2)c1Cl ZINC000893577497 583166623 /nfs/dbraw/zinc/16/66/23/583166623.db2.gz FYKCUVXZLOSYTA-UHFFFAOYSA-N 1 2 243.738 1.337 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)COC(C)=O)C(=O)OC ZINC000893600268 583170437 /nfs/dbraw/zinc/17/04/37/583170437.db2.gz UEVBUEVQYQJSTN-ONGXEEELSA-N 1 2 245.319 1.259 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H](O)C2)c(Cl)n1 ZINC000857011965 588881820 /nfs/dbraw/zinc/88/18/20/588881820.db2.gz QSLQLYJGXCXWGY-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H](O)C2)c(Cl)n1 ZINC000857011965 588881821 /nfs/dbraw/zinc/88/18/21/588881821.db2.gz QSLQLYJGXCXWGY-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(C[N@@H+]2CCCOCC2)c(Cl)n1 ZINC000857018665 588882382 /nfs/dbraw/zinc/88/23/82/588882382.db2.gz RFAUYQWYNDWZRV-UHFFFAOYSA-N 1 2 229.711 1.296 20 0 BDADLO Cn1cc(C[N@H+]2CCCOCC2)c(Cl)n1 ZINC000857018665 588882383 /nfs/dbraw/zinc/88/23/83/588882383.db2.gz RFAUYQWYNDWZRV-UHFFFAOYSA-N 1 2 229.711 1.296 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]C1CC(OC)C1 ZINC000840957060 583187440 /nfs/dbraw/zinc/18/74/40/583187440.db2.gz IDCJEWHMCOQHLX-VQXHTEKXSA-N 1 2 227.304 1.095 20 0 BDADLO C/C=C\C[C@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000893660242 583189831 /nfs/dbraw/zinc/18/98/31/583189831.db2.gz BJRMAGVLTSKDHP-QIAMSNJGSA-N 1 2 243.347 1.633 20 0 BDADLO Cn1cc(C[N@H+](C)C2(CO)CC2)c(Cl)n1 ZINC000857050785 588884567 /nfs/dbraw/zinc/88/45/67/588884567.db2.gz ZUNGFERNHLIXGC-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(C[N@@H+](C)C2(CO)CC2)c(Cl)n1 ZINC000857050785 588884568 /nfs/dbraw/zinc/88/45/68/588884568.db2.gz ZUNGFERNHLIXGC-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cc1cc(CNc2cccc([C@@H](C)O)[nH+]2)n(C)n1 ZINC000893731311 583215698 /nfs/dbraw/zinc/21/56/98/583215698.db2.gz CBAVDNQABUSODM-SNVBAGLBSA-N 1 2 246.314 1.789 20 0 BDADLO CC(C)[C@H](CO)CNc1cc(N(C)C)nc[nH+]1 ZINC000893859943 583233812 /nfs/dbraw/zinc/23/38/12/583233812.db2.gz OHWOVUZDDXFFJU-JTQLQIEISA-N 1 2 238.335 1.219 20 0 BDADLO CC(C)[C@H](CO)CNc1cc(N(C)C)[nH+]cn1 ZINC000893859943 583233813 /nfs/dbraw/zinc/23/38/13/583233813.db2.gz OHWOVUZDDXFFJU-JTQLQIEISA-N 1 2 238.335 1.219 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](CCO)C2CC2)n1 ZINC000893943659 583256024 /nfs/dbraw/zinc/25/60/24/583256024.db2.gz BISUNNSAQSKZQP-UHFFFAOYSA-N 1 2 223.320 1.490 20 0 BDADLO Cc1noc2ncc(C[N@H+]3CCOC[C@@H]3C)cc12 ZINC000893962196 583257313 /nfs/dbraw/zinc/25/73/13/583257313.db2.gz JIHFVENSTKYUJH-VIFPVBQESA-N 1 2 247.298 1.752 20 0 BDADLO Cc1noc2ncc(C[N@@H+]3CCOC[C@@H]3C)cc12 ZINC000893962196 583257314 /nfs/dbraw/zinc/25/73/14/583257314.db2.gz JIHFVENSTKYUJH-VIFPVBQESA-N 1 2 247.298 1.752 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C/c1cccc(F)c1 ZINC000893948337 583259519 /nfs/dbraw/zinc/25/95/19/583259519.db2.gz UFMWYLLLDCURMD-GQCTYLIASA-N 1 2 237.274 1.944 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC000893948337 583259522 /nfs/dbraw/zinc/25/95/22/583259522.db2.gz UFMWYLLLDCURMD-GQCTYLIASA-N 1 2 237.274 1.944 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000893950667 583260733 /nfs/dbraw/zinc/26/07/33/583260733.db2.gz KZOCYNZYVNVBPI-QKIYJJFGSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1n[nH]c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000894030834 583277062 /nfs/dbraw/zinc/27/70/62/583277062.db2.gz MQQNGUKXPXJZSM-PHIMTYICSA-N 1 2 221.304 1.390 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000894030834 583277063 /nfs/dbraw/zinc/27/70/63/583277063.db2.gz MQQNGUKXPXJZSM-PHIMTYICSA-N 1 2 221.304 1.390 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)co2)[C@@H](C)C1 ZINC000894035164 583279964 /nfs/dbraw/zinc/27/99/64/583279964.db2.gz VZQFNNNLPBLGNC-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)co2)[C@@H](C)C1 ZINC000894035164 583279967 /nfs/dbraw/zinc/27/99/67/583279967.db2.gz VZQFNNNLPBLGNC-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000894027142 583280627 /nfs/dbraw/zinc/28/06/27/583280627.db2.gz FIOMZAFODOKVFQ-RKVXJDFWSA-N 1 2 227.304 1.095 20 0 BDADLO COC[C@]1(C)CCN(c2nccn3c[nH+]cc23)C1 ZINC000894023877 583281121 /nfs/dbraw/zinc/28/11/21/583281121.db2.gz MGVMPFJNSWYFKO-CYBMUJFWSA-N 1 2 246.314 1.592 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000894028649 583281469 /nfs/dbraw/zinc/28/14/69/583281469.db2.gz PDYINRMLXMLMBL-VIFPVBQESA-N 1 2 211.305 1.860 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2[nH]nc(C)c2C)cn1 ZINC000894028552 583281518 /nfs/dbraw/zinc/28/15/18/583281518.db2.gz SZFPEJRXTZQONZ-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2[nH]nc(C)c2C)cn1 ZINC000894028552 583281520 /nfs/dbraw/zinc/28/15/20/583281520.db2.gz SZFPEJRXTZQONZ-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO F[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@@H]1F ZINC000894048471 583287553 /nfs/dbraw/zinc/28/75/53/583287553.db2.gz XIZOPONNNBPHJG-OCAPTIKFSA-N 1 2 224.214 1.226 20 0 BDADLO CN(C)c1cc(N[C@@H]2CC23CCOCC3)[nH+]cn1 ZINC000894079783 583298477 /nfs/dbraw/zinc/29/84/77/583298477.db2.gz HFJBQQWGWHXQQZ-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO CN(C)c1cc(N[C@@H]2CC23CCOCC3)nc[nH+]1 ZINC000894079783 583298478 /nfs/dbraw/zinc/29/84/78/583298478.db2.gz HFJBQQWGWHXQQZ-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO CCC1(CNc2nc(N)[nH+]c(C3CC3)n2)COC1 ZINC000894099367 583303956 /nfs/dbraw/zinc/30/39/56/583303956.db2.gz KCWAHSQHLWQISP-UHFFFAOYSA-N 1 2 249.318 1.170 20 0 BDADLO CCC1(CNc2nc(N)nc(C3CC3)[nH+]2)COC1 ZINC000894099367 583303959 /nfs/dbraw/zinc/30/39/59/583303959.db2.gz KCWAHSQHLWQISP-UHFFFAOYSA-N 1 2 249.318 1.170 20 0 BDADLO CCc1cc(N2CC[C@@H](O)[C@H]2C)nc(CC)[nH+]1 ZINC000894104869 583306358 /nfs/dbraw/zinc/30/63/58/583306358.db2.gz KCSNOJZLRAHGCT-MWLCHTKSSA-N 1 2 235.331 1.561 20 0 BDADLO CN(C)c1cc(NC[C@@H](O)C2CCC2)[nH+]cn1 ZINC000894120308 583310083 /nfs/dbraw/zinc/31/00/83/583310083.db2.gz UWGANGNJXYJDLB-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@@H](O)C2CCC2)nc[nH+]1 ZINC000894120308 583310084 /nfs/dbraw/zinc/31/00/84/583310084.db2.gz UWGANGNJXYJDLB-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000894179109 583328196 /nfs/dbraw/zinc/32/81/96/583328196.db2.gz RUZSUSWXXFBJJW-ZYHUDNBSSA-N 1 2 233.311 1.868 20 0 BDADLO CCn1ccc(CNc2cccc([C@H](C)O)[nH+]2)n1 ZINC000894184601 583331810 /nfs/dbraw/zinc/33/18/10/583331810.db2.gz CYOTTXZZDQIIEV-JTQLQIEISA-N 1 2 246.314 1.963 20 0 BDADLO CC[C@@H]1C[NH+](CN2CCC2=O)C[C@@H](CC)O1 ZINC000857236184 588899956 /nfs/dbraw/zinc/89/99/56/588899956.db2.gz DFABXPUIUJERBT-GHMZBOCLSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1C[N@H+](CN2CCC2=O)Cc2ccccc2O1 ZINC000857237899 588900890 /nfs/dbraw/zinc/90/08/90/588900890.db2.gz WXUADPLXKXKHNY-NSHDSACASA-N 1 2 246.310 1.459 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCC2=O)Cc2ccccc2O1 ZINC000857237899 588900891 /nfs/dbraw/zinc/90/08/91/588900891.db2.gz WXUADPLXKXKHNY-NSHDSACASA-N 1 2 246.310 1.459 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cccs1 ZINC000747781319 583388488 /nfs/dbraw/zinc/38/84/88/583388488.db2.gz JMAWHZFGSZACBW-UHFFFAOYSA-N 1 2 222.269 1.839 20 0 BDADLO CN(C)c1ccc(CNc2ccc(F)nn2)c[nH+]1 ZINC000857224770 588895523 /nfs/dbraw/zinc/89/55/23/588895523.db2.gz BGCAJWNKYCZNHH-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO C[C@H]1COc2ccccc2C[N@@H+]1CN1CCC1=O ZINC000857235045 588899187 /nfs/dbraw/zinc/89/91/87/588899187.db2.gz XYNLUUVKUDQXLO-NSHDSACASA-N 1 2 246.310 1.459 20 0 BDADLO C[C@H]1COc2ccccc2C[N@H+]1CN1CCC1=O ZINC000857235045 588899188 /nfs/dbraw/zinc/89/91/88/588899188.db2.gz XYNLUUVKUDQXLO-NSHDSACASA-N 1 2 246.310 1.459 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]1 ZINC000894389094 583445570 /nfs/dbraw/zinc/44/55/70/583445570.db2.gz OZLSAIOXEKXSRL-SPFNVWMYSA-N 1 2 234.299 1.867 20 0 BDADLO C[C@@H](O)c1cccc(N(C)[C@@H](C)CCO)[nH+]1 ZINC000894405570 583450306 /nfs/dbraw/zinc/45/03/06/583450306.db2.gz FPARCYLZSQMKJX-VHSXEESVSA-N 1 2 224.304 1.342 20 0 BDADLO Nc1cc(COC(=O)CCn2cccc2)cc[nH+]1 ZINC000791993117 583453800 /nfs/dbraw/zinc/45/38/00/583453800.db2.gz BEUUVADYYSWGOH-UHFFFAOYSA-N 1 2 245.282 1.599 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc(OCCCO)cc1 ZINC000894432416 583458202 /nfs/dbraw/zinc/45/82/02/583458202.db2.gz KKMHNRGWJWITAG-LLVKDONJSA-N 1 2 239.315 1.631 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000894497874 583472393 /nfs/dbraw/zinc/47/23/93/583472393.db2.gz QIXRFZNNEJHJSX-CMPLNLGQSA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000894497874 583472394 /nfs/dbraw/zinc/47/23/94/583472394.db2.gz QIXRFZNNEJHJSX-CMPLNLGQSA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000894497875 583472786 /nfs/dbraw/zinc/47/27/86/583472786.db2.gz QIXRFZNNEJHJSX-JQWIXIFHSA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000894497875 583472788 /nfs/dbraw/zinc/47/27/88/583472788.db2.gz QIXRFZNNEJHJSX-JQWIXIFHSA-N 1 2 237.347 1.736 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000857312640 588905406 /nfs/dbraw/zinc/90/54/06/588905406.db2.gz WVPMCEUMTTXGIT-ZDUSSCGKSA-N 1 2 248.326 1.201 20 0 BDADLO C[C@]12COC[C@@H]1CN(c1nccn3c[nH+]cc13)C2 ZINC000894564132 583484479 /nfs/dbraw/zinc/48/44/79/583484479.db2.gz OWXZKXSVRQAJNE-GWCFXTLKSA-N 1 2 244.298 1.202 20 0 BDADLO c1[nH]c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c[nH+]1 ZINC000894575363 583487064 /nfs/dbraw/zinc/48/70/64/583487064.db2.gz FGDZHQGXZUOFHG-UHFFFAOYSA-N 1 2 234.347 1.374 20 0 BDADLO CN(Cc1ccnn1CC1CC1)Cc1[nH]cc[nH+]1 ZINC000894586909 583489039 /nfs/dbraw/zinc/48/90/39/583489039.db2.gz LVZSWJIHDROALC-UHFFFAOYSA-N 1 2 245.330 1.648 20 0 BDADLO Cc1[nH]nc(C[NH+]2CC([C@@H]3CCOC3)C2)c1C ZINC000894605404 583490913 /nfs/dbraw/zinc/49/09/13/583490913.db2.gz YKOKFVCCHPEXJN-LLVKDONJSA-N 1 2 235.331 1.495 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1c(Cl)c(C)nn1C ZINC000894612731 583494842 /nfs/dbraw/zinc/49/48/42/583494842.db2.gz MLTQRFGJKPRRBM-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1c(Cl)c(C)nn1C ZINC000894612731 583494843 /nfs/dbraw/zinc/49/48/43/583494843.db2.gz MLTQRFGJKPRRBM-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](F)C2)c(C)n1 ZINC000894670703 583503293 /nfs/dbraw/zinc/50/32/93/583503293.db2.gz KWUMURRKFWFEEH-LLVKDONJSA-N 1 2 211.284 1.755 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](F)C2)c(C)n1 ZINC000894670703 583503296 /nfs/dbraw/zinc/50/32/96/583503296.db2.gz KWUMURRKFWFEEH-LLVKDONJSA-N 1 2 211.284 1.755 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(C)c1 ZINC000894730332 583513414 /nfs/dbraw/zinc/51/34/14/583513414.db2.gz VYQNRJCWHWMJFF-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)c1 ZINC000894730332 583513416 /nfs/dbraw/zinc/51/34/16/583513416.db2.gz VYQNRJCWHWMJFF-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO CNc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)nc[nH+]1 ZINC000894777579 583519021 /nfs/dbraw/zinc/51/90/21/583519021.db2.gz PMOVVSGUAKQGHN-GXFFZTMASA-N 1 2 248.330 1.117 20 0 BDADLO CNc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)[nH+]cn1 ZINC000894777579 583519023 /nfs/dbraw/zinc/51/90/23/583519023.db2.gz PMOVVSGUAKQGHN-GXFFZTMASA-N 1 2 248.330 1.117 20 0 BDADLO CCc1cc(N(C)C[C@H]2C[C@@H](O)C2)nc(CC)[nH+]1 ZINC000894784594 583521544 /nfs/dbraw/zinc/52/15/44/583521544.db2.gz PEGYTJUZHNBWEK-KLPPZKSPSA-N 1 2 249.358 1.809 20 0 BDADLO c1cc(C[NH2+]CCO[C@H]2CCCCO2)[nH]n1 ZINC000894798549 583522371 /nfs/dbraw/zinc/52/23/71/583522371.db2.gz FYMPLAJLVUZYEF-NSHDSACASA-N 1 2 225.292 1.043 20 0 BDADLO COC1C[NH+](C[C@H]2C[C@@]2(C)Br)C1 ZINC000894818387 583524173 /nfs/dbraw/zinc/52/41/73/583524173.db2.gz CCTJEUIPWCUBEE-VXNVDRBHSA-N 1 2 234.137 1.491 20 0 BDADLO CCOC1C[NH+](Cc2cn3ccnc3s2)C1 ZINC000894819022 583524705 /nfs/dbraw/zinc/52/47/05/583524705.db2.gz IPXQXEOZNFCXDL-UHFFFAOYSA-N 1 2 237.328 1.617 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000894822098 583525381 /nfs/dbraw/zinc/52/53/81/583525381.db2.gz NEDCNLRDDAWHMO-UHFFFAOYSA-N 1 2 249.358 1.500 20 0 BDADLO Cc1cc(F)ncc1C[NH+]1CC(O)(C(C)C)C1 ZINC000894821670 583525705 /nfs/dbraw/zinc/52/57/05/583525705.db2.gz IBLYPVPZXVQSRL-UHFFFAOYSA-N 1 2 238.306 1.732 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCCCC(C)C ZINC000894825123 583526786 /nfs/dbraw/zinc/52/67/86/583526786.db2.gz NEMZSSABAPOXOL-GFCCVEGCSA-N 1 2 231.336 1.326 20 0 BDADLO CC1(C)OC[C@H](C[NH+]2CC(OC(F)F)C2)O1 ZINC000894832164 583528142 /nfs/dbraw/zinc/52/81/42/583528142.db2.gz COUJNHKUGFUJHX-QMMMGPOBSA-N 1 2 237.246 1.061 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ocnc1C ZINC000894865484 583536692 /nfs/dbraw/zinc/53/66/92/583536692.db2.gz VTOCIYAXQNXDBN-LLVKDONJSA-N 1 2 223.320 1.509 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1ocnc1C ZINC000894865484 583536695 /nfs/dbraw/zinc/53/66/95/583536695.db2.gz VTOCIYAXQNXDBN-LLVKDONJSA-N 1 2 223.320 1.509 20 0 BDADLO Cc1cc[nH+]c(N)c1CNC(CF)CF ZINC000894874623 583540973 /nfs/dbraw/zinc/54/09/73/583540973.db2.gz VLYKFFLNTPBKPI-UHFFFAOYSA-N 1 2 215.247 1.369 20 0 BDADLO COC(=O)[C@H]1[C@@H](C[N@@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894888886 583547354 /nfs/dbraw/zinc/54/73/54/583547354.db2.gz KLIKYMWZRPYCGZ-BWZBUEFSSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@H]1[C@@H](C[N@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894888886 583547355 /nfs/dbraw/zinc/54/73/55/583547355.db2.gz KLIKYMWZRPYCGZ-BWZBUEFSSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@H]1[C@@H](C[N@@H+]2CC[C@H](F)C2)C1(F)F ZINC000894888890 583547467 /nfs/dbraw/zinc/54/74/67/583547467.db2.gz KLIKYMWZRPYCGZ-XLPZGREQSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@H]1[C@@H](C[N@H+]2CC[C@H](F)C2)C1(F)F ZINC000894888890 583547468 /nfs/dbraw/zinc/54/74/68/583547468.db2.gz KLIKYMWZRPYCGZ-XLPZGREQSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CC(C(C)C)C(C)C ZINC000894972564 583561187 /nfs/dbraw/zinc/56/11/87/583561187.db2.gz RPTHDZKBASCQES-CYBMUJFWSA-N 1 2 245.363 1.428 20 0 BDADLO CSc1ccc(C[NH+]2CC(C)(CO)C2)o1 ZINC000894979816 583563092 /nfs/dbraw/zinc/56/30/92/583563092.db2.gz AHCQHYQPIPZDML-UHFFFAOYSA-N 1 2 227.329 1.816 20 0 BDADLO c1nc(C[NH+]2CC3(C2)CCOCC3)c[nH]1 ZINC000894977698 583563149 /nfs/dbraw/zinc/56/31/49/583563149.db2.gz WHIBHHXXQLUJMQ-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO c1ncc(C[NH+]2CC3(C2)CCOCC3)[nH]1 ZINC000894977698 583563151 /nfs/dbraw/zinc/56/31/51/583563151.db2.gz WHIBHHXXQLUJMQ-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO OCc1cc[nH+]c(NCc2nccn2C2CC2)c1 ZINC000894988703 583565298 /nfs/dbraw/zinc/56/52/98/583565298.db2.gz JQLUOISVQHUQTH-UHFFFAOYSA-N 1 2 244.298 1.717 20 0 BDADLO CCOC(=O)CN1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068593 583578831 /nfs/dbraw/zinc/57/88/31/583578831.db2.gz HLSMDKIAQKNOGB-UHFFFAOYSA-N 1 2 249.314 1.210 20 0 BDADLO Cc1[nH+]cnc(NCCCc2cnn(C)c2)c1C ZINC000881908295 583587722 /nfs/dbraw/zinc/58/77/22/583587722.db2.gz XNYSTGKNZFJTRF-UHFFFAOYSA-N 1 2 245.330 1.872 20 0 BDADLO C[C@@]1(F)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000334818485 583591283 /nfs/dbraw/zinc/59/12/83/583591283.db2.gz YIDPOFZEXQGTHP-LLVKDONJSA-N 1 2 225.267 1.303 20 0 BDADLO C[C@@]1(F)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000334818485 583591284 /nfs/dbraw/zinc/59/12/84/583591284.db2.gz YIDPOFZEXQGTHP-LLVKDONJSA-N 1 2 225.267 1.303 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccoc2)[C@H]1C ZINC000895114716 583591415 /nfs/dbraw/zinc/59/14/15/583591415.db2.gz NRANHXIOOUONGG-GUBZILKMSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccoc2)[C@H]1C ZINC000895114716 583591416 /nfs/dbraw/zinc/59/14/16/583591416.db2.gz NRANHXIOOUONGG-GUBZILKMSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cncs1 ZINC000895119204 583592814 /nfs/dbraw/zinc/59/28/14/583592814.db2.gz WIGFWUJAPHZZEH-DJLDLDEBSA-N 1 2 239.344 1.240 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1cncs1 ZINC000895119204 583592815 /nfs/dbraw/zinc/59/28/15/583592815.db2.gz WIGFWUJAPHZZEH-DJLDLDEBSA-N 1 2 239.344 1.240 20 0 BDADLO Cc1occc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895120984 583595534 /nfs/dbraw/zinc/59/55/34/583595534.db2.gz OFCDCQXXYGBIBT-OPRDCNLKSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1occc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895120984 583595536 /nfs/dbraw/zinc/59/55/36/583595536.db2.gz OFCDCQXXYGBIBT-OPRDCNLKSA-N 1 2 236.315 1.685 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc(N(C)C)nc[nH+]2)C1 ZINC000895132261 583601380 /nfs/dbraw/zinc/60/13/80/583601380.db2.gz PLMBDVGCJCIPGP-MGCOHNPYSA-N 1 2 236.319 1.380 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc(N(C)C)[nH+]cn2)C1 ZINC000895132261 583601382 /nfs/dbraw/zinc/60/13/82/583601382.db2.gz PLMBDVGCJCIPGP-MGCOHNPYSA-N 1 2 236.319 1.380 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3nccn3C3CC3)C[C@H]21 ZINC000895185195 583618383 /nfs/dbraw/zinc/61/83/83/583618383.db2.gz IXIJHZGAXVIDRW-AOOOYVTPSA-N 1 2 239.269 1.915 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3nccn3C3CC3)C[C@H]21 ZINC000895185195 583618384 /nfs/dbraw/zinc/61/83/84/583618384.db2.gz IXIJHZGAXVIDRW-AOOOYVTPSA-N 1 2 239.269 1.915 20 0 BDADLO CCn1nncc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857871880 588917319 /nfs/dbraw/zinc/91/73/19/588917319.db2.gz XYGZZLMCCFCTKS-NSHDSACASA-N 1 2 246.318 1.188 20 0 BDADLO CCn1nncc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857871880 588917320 /nfs/dbraw/zinc/91/73/20/588917320.db2.gz XYGZZLMCCFCTKS-NSHDSACASA-N 1 2 246.318 1.188 20 0 BDADLO CNc1cc(NC[C@H]2CC3(CCC3)CO2)[nH+]cn1 ZINC000895211043 583626994 /nfs/dbraw/zinc/62/69/94/583626994.db2.gz XDVMHYDDQCHZLY-SNVBAGLBSA-N 1 2 248.330 1.889 20 0 BDADLO c1cc2c(cn1)C[N@H+](CCOC[C@H]1CCCO1)C2 ZINC000857875759 588918434 /nfs/dbraw/zinc/91/84/34/588918434.db2.gz BAKATECLLAIFQL-CQSZACIVSA-N 1 2 248.326 1.593 20 0 BDADLO c1cc2c(cn1)C[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC000857875759 588918436 /nfs/dbraw/zinc/91/84/36/588918436.db2.gz BAKATECLLAIFQL-CQSZACIVSA-N 1 2 248.326 1.593 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1C ZINC000895341009 583654635 /nfs/dbraw/zinc/65/46/35/583654635.db2.gz CDTNWASPJSUKEN-RNCFNFMXSA-N 1 2 237.347 1.477 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cn(CC)nn1 ZINC000895357743 583657865 /nfs/dbraw/zinc/65/78/65/583657865.db2.gz JVTRHRVELWNCOL-UHFFFAOYSA-N 1 2 249.318 1.447 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC000895390819 583664321 /nfs/dbraw/zinc/66/43/21/583664321.db2.gz YYNHYZJGQYCVNP-OCAPTIKFSA-N 1 2 238.312 1.381 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC000895390819 583664322 /nfs/dbraw/zinc/66/43/22/583664322.db2.gz YYNHYZJGQYCVNP-OCAPTIKFSA-N 1 2 238.312 1.381 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000895404801 583666726 /nfs/dbraw/zinc/66/67/26/583666726.db2.gz HDVCLLJBVQGFGO-SNVBAGLBSA-N 1 2 228.267 1.543 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000895404801 583666727 /nfs/dbraw/zinc/66/67/27/583666727.db2.gz HDVCLLJBVQGFGO-SNVBAGLBSA-N 1 2 228.267 1.543 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@@H]1C(F)F)[C@@H]1CCOC1 ZINC000895431339 583670376 /nfs/dbraw/zinc/67/03/76/583670376.db2.gz LGRCDHWOZGPVJD-OPRDCNLKSA-N 1 2 235.274 1.377 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@@H]1C(F)F)[C@@H]1CCOC1 ZINC000895431339 583670377 /nfs/dbraw/zinc/67/03/77/583670377.db2.gz LGRCDHWOZGPVJD-OPRDCNLKSA-N 1 2 235.274 1.377 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)CO)C1CCCCC1 ZINC000883012961 583684009 /nfs/dbraw/zinc/68/40/09/583684009.db2.gz AEBNWRITSOLRCK-JTQLQIEISA-N 1 2 230.308 1.072 20 0 BDADLO Cc1ccc(CC[NH2+]Cc2cn[nH]n2)cc1C ZINC000895530950 583684866 /nfs/dbraw/zinc/68/48/66/583684866.db2.gz KDOGIGOWZFHVHD-UHFFFAOYSA-N 1 2 230.315 1.754 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(C2CC2)CC1 ZINC000885730632 588922010 /nfs/dbraw/zinc/92/20/10/588922010.db2.gz XBLYZRVYWCWPGE-UHFFFAOYSA-N 1 2 234.299 1.696 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1ccc(F)c(F)c1F)C2 ZINC000895646921 583698920 /nfs/dbraw/zinc/69/89/20/583698920.db2.gz YPGBSNQMGFJLDJ-PRHODGIISA-N 1 2 243.228 1.671 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(F)c(F)c1F)C2 ZINC000895646921 583698921 /nfs/dbraw/zinc/69/89/21/583698921.db2.gz YPGBSNQMGFJLDJ-PRHODGIISA-N 1 2 243.228 1.671 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC000895649440 583699493 /nfs/dbraw/zinc/69/94/93/583699493.db2.gz QJENJFUOMUOMNT-UFBFGSQYSA-N 1 2 243.228 1.671 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC000895649440 583699495 /nfs/dbraw/zinc/69/94/95/583699495.db2.gz QJENJFUOMUOMNT-UFBFGSQYSA-N 1 2 243.228 1.671 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@@H]2C)c[nH+]1 ZINC000895722538 583712433 /nfs/dbraw/zinc/71/24/33/583712433.db2.gz JARUXIYCNLXPJI-GXSJLCMTSA-N 1 2 235.331 1.699 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n[nH]1 ZINC000895752830 583719933 /nfs/dbraw/zinc/71/99/33/583719933.db2.gz MEHNHUHGDPJDSL-HTQZYQBOSA-N 1 2 231.259 1.183 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n[nH]1 ZINC000895752830 583719935 /nfs/dbraw/zinc/71/99/35/583719935.db2.gz MEHNHUHGDPJDSL-HTQZYQBOSA-N 1 2 231.259 1.183 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000895757401 583721291 /nfs/dbraw/zinc/72/12/91/583721291.db2.gz CJHVZYIQELFBGF-SNVBAGLBSA-N 1 2 233.315 1.969 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000895802884 583731266 /nfs/dbraw/zinc/73/12/66/583731266.db2.gz YCWLVIJECFFKBS-AVGNSLFASA-N 1 2 231.295 1.695 20 0 BDADLO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCOC1=O ZINC000895804392 583731356 /nfs/dbraw/zinc/73/13/56/583731356.db2.gz RFWPCWXLTGKASJ-AAEUAGOBSA-N 1 2 233.311 1.831 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000895803286 583731451 /nfs/dbraw/zinc/73/14/51/583731451.db2.gz FWCAGSCBGZYQIP-AAEUAGOBSA-N 1 2 231.295 1.622 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000895804652 583731475 /nfs/dbraw/zinc/73/14/75/583731475.db2.gz TZUGKUQFBGYCJF-ZDUSSCGKSA-N 1 2 231.295 1.307 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985713 588925666 /nfs/dbraw/zinc/92/56/66/588925666.db2.gz MBEJEXHLPIEQQZ-JGVFFNPUSA-N 1 2 225.317 1.196 20 0 BDADLO C[C@@H]1COC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000895905071 583742924 /nfs/dbraw/zinc/74/29/24/583742924.db2.gz HVRSWPIFFRLLKF-RNCFNFMXSA-N 1 2 229.283 1.499 20 0 BDADLO CCc1nocc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976527 588926013 /nfs/dbraw/zinc/92/60/13/588926013.db2.gz GKGXCHBKKBFZRC-JTQLQIEISA-N 1 2 246.270 1.308 20 0 BDADLO Cc1ccoc1CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857974457 588926166 /nfs/dbraw/zinc/92/61/66/588926166.db2.gz HSIJSZCHWFUIDY-JTQLQIEISA-N 1 2 245.282 1.588 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857976608 588926318 /nfs/dbraw/zinc/92/63/18/588926318.db2.gz HSSIJVCIUXXPBC-KOLCDFICSA-N 1 2 233.315 1.880 20 0 BDADLO COc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)o1 ZINC000857975982 588926345 /nfs/dbraw/zinc/92/63/45/588926345.db2.gz UVYNGKHCSMAHFD-MRVPVSSYSA-N 1 2 247.254 1.360 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857975368 588926376 /nfs/dbraw/zinc/92/63/76/588926376.db2.gz MYTZSJKHWNLJJE-UWVGGRQHSA-N 1 2 233.315 1.880 20 0 BDADLO CSC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976023 588926382 /nfs/dbraw/zinc/92/63/82/588926382.db2.gz VTDGYWTVGWNOKP-QMMMGPOBSA-N 1 2 239.344 1.586 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000895952410 583751566 /nfs/dbraw/zinc/75/15/66/583751566.db2.gz MUBPSJWBXPFMOO-UHFFFAOYSA-N 1 2 248.326 1.395 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC12CC2 ZINC000857977143 588926604 /nfs/dbraw/zinc/92/66/04/588926604.db2.gz SIEVRINHZLHOFV-DTWKUNHWSA-N 1 2 217.272 1.244 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(C)oc2C)CCO1 ZINC000895967689 583754543 /nfs/dbraw/zinc/75/45/43/583754543.db2.gz AVGODWMACVDAKT-GFCCVEGCSA-N 1 2 225.288 1.701 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(C)oc2C)CCO1 ZINC000895967689 583754545 /nfs/dbraw/zinc/75/45/45/583754545.db2.gz AVGODWMACVDAKT-GFCCVEGCSA-N 1 2 225.288 1.701 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CC1(F)F ZINC000857976915 588926632 /nfs/dbraw/zinc/92/66/32/588926632.db2.gz OMAYAZNSKDIOGA-RNFRBKRXSA-N 1 2 227.214 1.099 20 0 BDADLO CO[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000895968907 583755201 /nfs/dbraw/zinc/75/52/01/583755201.db2.gz UYJUBMVKMFBPOI-CYBMUJFWSA-N 1 2 247.298 1.139 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(F)c[nH]1 ZINC000857977259 588926689 /nfs/dbraw/zinc/92/66/89/588926689.db2.gz TWTPHQLMCFUSAT-MRVPVSSYSA-N 1 2 234.234 1.225 20 0 BDADLO CCOC1CC(C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978106 588926715 /nfs/dbraw/zinc/92/67/15/588926715.db2.gz KGOYFBLLPLXKNS-VQXHTEKXSA-N 1 2 249.314 1.259 20 0 BDADLO COCC1C[NH+](Cc2cn3cccc(F)c3n2)C1 ZINC000895971077 583756028 /nfs/dbraw/zinc/75/60/28/583756028.db2.gz KICHEAPJENFIPG-UHFFFAOYSA-N 1 2 249.289 1.552 20 0 BDADLO CC(F)(F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978663 588926835 /nfs/dbraw/zinc/92/68/35/588926835.db2.gz PTZLKNIFXHEIAR-LURJTMIESA-N 1 2 215.203 1.099 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977400 588927029 /nfs/dbraw/zinc/92/70/29/588927029.db2.gz DHZRLIRINORAJH-FWAPLPHYSA-N 1 2 219.288 1.800 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979950 588927435 /nfs/dbraw/zinc/92/74/35/588927435.db2.gz HCLWXIVJKUCKMJ-PSASIEDQSA-N 1 2 239.344 1.586 20 0 BDADLO COc1ccc[nH+]c1NCCc1cc(C)n(C)n1 ZINC000896023072 583764624 /nfs/dbraw/zinc/76/46/24/583764624.db2.gz HALAFFDZPZETTJ-UHFFFAOYSA-N 1 2 246.314 1.787 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)C(F)F)c(C)n1 ZINC000896038811 583766155 /nfs/dbraw/zinc/76/61/55/583766155.db2.gz ZOTZHTZICNWZMK-QMMMGPOBSA-N 1 2 217.263 1.955 20 0 BDADLO CCCSC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000896043291 583767003 /nfs/dbraw/zinc/76/70/03/583767003.db2.gz ORZYFLYFLSIQFL-AEJSXWLSSA-N 1 2 249.376 1.030 20 0 BDADLO CC1=C(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857982607 588928021 /nfs/dbraw/zinc/92/80/21/588928021.db2.gz KCKAOVXNUBLGOF-LLVKDONJSA-N 1 2 231.299 1.945 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@H]2CNC(=O)C2)c1C ZINC000896132410 583774242 /nfs/dbraw/zinc/77/42/42/583774242.db2.gz AGTXBKNPXLUDPY-JTQLQIEISA-N 1 2 234.303 1.032 20 0 BDADLO Cc1nc(C(=O)N[C@H]2CCn3c[nH+]cc32)co1 ZINC000857983214 588928403 /nfs/dbraw/zinc/92/84/03/588928403.db2.gz XMBXNTWFYYKMGN-QMMMGPOBSA-N 1 2 232.243 1.054 20 0 BDADLO CS/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985024 588928422 /nfs/dbraw/zinc/92/84/22/588928422.db2.gz FYMJJVGYSXRFSQ-RYEJSQLPSA-N 1 2 223.301 1.321 20 0 BDADLO CCc1cc(NCC2CC3(C2)OCCO3)nc[nH+]1 ZINC000896150575 583776747 /nfs/dbraw/zinc/77/67/47/583776747.db2.gz DRPNSUJOVIYKBI-UHFFFAOYSA-N 1 2 249.314 1.604 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCCS1 ZINC000857984094 588928529 /nfs/dbraw/zinc/92/85/29/588928529.db2.gz XPTZQFLTYSOIKH-WPRPVWTQSA-N 1 2 237.328 1.340 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)O1 ZINC000857983793 588928533 /nfs/dbraw/zinc/92/85/33/588928533.db2.gz VFXGBDIIRXRYER-JFGNBEQYSA-N 1 2 249.314 1.402 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CC12CCC2 ZINC000857983640 588928653 /nfs/dbraw/zinc/92/86/53/588928653.db2.gz UICBKTNGXXQARH-UWVGGRQHSA-N 1 2 231.299 1.634 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCOC1 ZINC000857983352 588928673 /nfs/dbraw/zinc/92/86/73/588928673.db2.gz ZYEUTAPZXWJYTQ-ZWNOBZJWSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccncc1F ZINC000857983985 588928712 /nfs/dbraw/zinc/92/87/12/588928712.db2.gz AIWMJZPGDCZUQL-SNVBAGLBSA-N 1 2 246.245 1.292 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)[nH]1 ZINC000857988358 588929535 /nfs/dbraw/zinc/92/95/35/588929535.db2.gz FAAZRAAHHATCAA-LLVKDONJSA-N 1 2 244.298 1.703 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C(F)F)CCN2 ZINC000857994183 588929748 /nfs/dbraw/zinc/92/97/48/588929748.db2.gz DQQMUTYWCCSZLL-UHFFFAOYSA-N 1 2 227.214 1.414 20 0 BDADLO Cc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC000857989595 588929798 /nfs/dbraw/zinc/92/97/98/588929798.db2.gz OTIBZIWFVPURSY-SNVBAGLBSA-N 1 2 242.282 1.461 20 0 BDADLO Cc1noc(C)c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991268 588929899 /nfs/dbraw/zinc/92/98/99/588929899.db2.gz WNCLLCVTBQDQJM-SECBINFHSA-N 1 2 246.270 1.363 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989844 588929961 /nfs/dbraw/zinc/92/99/61/588929961.db2.gz QDORLVDGBZDLPC-JTQLQIEISA-N 1 2 221.304 1.880 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1(C)COC1)CCN2 ZINC000857999372 588930336 /nfs/dbraw/zinc/93/03/36/588930336.db2.gz AEAXZIDXKDFQDO-UHFFFAOYSA-N 1 2 247.298 1.185 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H](O)C(C)C)CCN2 ZINC000858000392 588930418 /nfs/dbraw/zinc/93/04/18/588930418.db2.gz HAWOTSUWZDZTQJ-LLVKDONJSA-N 1 2 249.314 1.165 20 0 BDADLO COc1ccc[nH+]c1NCCO[C@@H]1CCOC1 ZINC000896473598 583803239 /nfs/dbraw/zinc/80/32/39/583803239.db2.gz OPJJLIDFEDGAQE-SNVBAGLBSA-N 1 2 238.287 1.308 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)CCCF)CCN2 ZINC000858002259 588930474 /nfs/dbraw/zinc/93/04/74/588930474.db2.gz QJENWRDIIIYCEI-UHFFFAOYSA-N 1 2 237.278 1.898 20 0 BDADLO C[C@@H](Cc1nc(-c2cn[nH]c2)no1)n1cc[nH+]c1 ZINC000896550204 583810567 /nfs/dbraw/zinc/81/05/67/583810567.db2.gz RUMSNPAIQSLHGC-QMMMGPOBSA-N 1 2 244.258 1.460 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1ccnc(F)c1 ZINC000858123872 588934131 /nfs/dbraw/zinc/93/41/31/588934131.db2.gz LHKBVLQAUXLMAG-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CC[NH+](CC)Cc1nc([C@@H](COC)OC)no1 ZINC000896654229 583821136 /nfs/dbraw/zinc/82/11/36/583821136.db2.gz UPNFUMBZQLZLGQ-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO Cc1cc(NCc2noc3c2COCC3)nc[nH+]1 ZINC000896705374 583823669 /nfs/dbraw/zinc/82/36/69/583823669.db2.gz ZSZZFKMTZCTJLS-UHFFFAOYSA-N 1 2 246.270 1.458 20 0 BDADLO CSC1(c2noc(C3([NH+](C)C)CC3)n2)CC1 ZINC000896774440 583831662 /nfs/dbraw/zinc/83/16/62/583831662.db2.gz HGPJXUUPWWOUGM-UHFFFAOYSA-N 1 2 239.344 1.972 20 0 BDADLO OCc1cc[nH+]c(NCC2(C3(O)CCC3)CC2)c1 ZINC000896811138 583835621 /nfs/dbraw/zinc/83/56/21/583835621.db2.gz DZKMQFJUVZVUCX-UHFFFAOYSA-N 1 2 248.326 1.681 20 0 BDADLO Cc1[nH]c(CNC(=O)c2nccc(C)n2)[nH+]c1C ZINC000896910013 583852702 /nfs/dbraw/zinc/85/27/02/583852702.db2.gz GYTXJUZLMYUPCB-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO CC[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)[C@@H](C)O ZINC000896910960 583853054 /nfs/dbraw/zinc/85/30/54/583853054.db2.gz IAGONADBZHNEJA-ZJUUUORDSA-N 1 2 239.319 1.050 20 0 BDADLO Cc1[nH]c(CNC(=O)C2CC=CC2)[nH+]c1C ZINC000896919015 583855898 /nfs/dbraw/zinc/85/58/98/583855898.db2.gz IVSORPMZEGZDEB-UHFFFAOYSA-N 1 2 219.288 1.609 20 0 BDADLO CCCSCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922960 583856997 /nfs/dbraw/zinc/85/69/97/583856997.db2.gz FFWQZQNQXXVONV-UHFFFAOYSA-N 1 2 241.360 1.786 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(C)[nH]1 ZINC000896922662 583857019 /nfs/dbraw/zinc/85/70/19/583857019.db2.gz WFOKTNCFMFRBNO-UHFFFAOYSA-N 1 2 246.314 1.901 20 0 BDADLO CONC(=O)C[NH2+]C1CC2(C1)CCCCC2 ZINC000896925087 583858017 /nfs/dbraw/zinc/85/80/17/583858017.db2.gz TXHWOVHBSGHZQR-UHFFFAOYSA-N 1 2 226.320 1.367 20 0 BDADLO CC[C@@H](C)C[C@H](CC)[NH2+]CC(=O)NOC ZINC000896926365 583859966 /nfs/dbraw/zinc/85/99/66/583859966.db2.gz ITYQNPUSZLDCPT-ZJUUUORDSA-N 1 2 216.325 1.468 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000896959511 583863460 /nfs/dbraw/zinc/86/34/60/583863460.db2.gz AESBSSULTMDHER-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000896959511 583863462 /nfs/dbraw/zinc/86/34/62/583863462.db2.gz AESBSSULTMDHER-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CCc1nc(N[C@@H]2CCC[C@@H]2CO)cc[nH+]1 ZINC000896965404 583864846 /nfs/dbraw/zinc/86/48/46/583864846.db2.gz IIQVOEARWYWILG-NXEZZACHSA-N 1 2 221.304 1.612 20 0 BDADLO CNc1cc(NC2CC3(C2)CO[C@@H](C)C3)[nH+]cn1 ZINC000897045787 583873089 /nfs/dbraw/zinc/87/30/89/583873089.db2.gz PENBHKUXQKGHHM-JBLZRFIASA-N 1 2 248.330 1.888 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1nccn2c[nH+]cc12 ZINC000897142112 583883760 /nfs/dbraw/zinc/88/37/60/583883760.db2.gz GDJIGRBONXZIFP-GXSJLCMTSA-N 1 2 232.287 1.343 20 0 BDADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccon1 ZINC000897224093 583897691 /nfs/dbraw/zinc/89/76/91/583897691.db2.gz HHVJIWHJXOYGIP-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO COc1ccc[nH+]c1NC1CC(CCO)C1 ZINC000897236175 583900152 /nfs/dbraw/zinc/90/01/52/583900152.db2.gz BSOMTVBXFDTSIW-UHFFFAOYSA-N 1 2 222.288 1.663 20 0 BDADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000799347950 583959321 /nfs/dbraw/zinc/95/93/21/583959321.db2.gz SVODKWUYZJIQQC-KWQFWETISA-N 1 2 249.314 1.166 20 0 BDADLO CCc1cc(N[C@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897448262 583987016 /nfs/dbraw/zinc/98/70/16/583987016.db2.gz VVWJUNDGLUJBFB-NEPJUHHUSA-N 1 2 233.315 1.876 20 0 BDADLO COc1ccccc1CC[N@H+](C)[C@H]1CCOC1=O ZINC000729477533 584014964 /nfs/dbraw/zinc/01/49/64/584014964.db2.gz QUMKJHXOWIXSRC-LBPRGKRZSA-N 1 2 249.310 1.485 20 0 BDADLO COc1ccccc1CC[N@@H+](C)[C@H]1CCOC1=O ZINC000729477533 584014966 /nfs/dbraw/zinc/01/49/66/584014966.db2.gz QUMKJHXOWIXSRC-LBPRGKRZSA-N 1 2 249.310 1.485 20 0 BDADLO COc1ccccc1CC[N@H+](C)[C@@H]1CCOC1=O ZINC000729477532 584015302 /nfs/dbraw/zinc/01/53/02/584015302.db2.gz QUMKJHXOWIXSRC-GFCCVEGCSA-N 1 2 249.310 1.485 20 0 BDADLO COc1ccccc1CC[N@@H+](C)[C@@H]1CCOC1=O ZINC000729477532 584015304 /nfs/dbraw/zinc/01/53/04/584015304.db2.gz QUMKJHXOWIXSRC-GFCCVEGCSA-N 1 2 249.310 1.485 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2F)C[C@H]1O ZINC000897678782 584036513 /nfs/dbraw/zinc/03/65/13/584036513.db2.gz FDKDDUNAYFWEOI-GMSGAONNSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)C[C@H]1O ZINC000897678782 584036514 /nfs/dbraw/zinc/03/65/14/584036514.db2.gz FDKDDUNAYFWEOI-GMSGAONNSA-N 1 2 245.244 1.917 20 0 BDADLO Cc1ccc(CCNc2nccnc2F)c[nH+]1 ZINC000858403865 588951345 /nfs/dbraw/zinc/95/13/45/588951345.db2.gz NAVXJYDINOPNDD-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1O ZINC000897680634 584038064 /nfs/dbraw/zinc/03/80/64/584038064.db2.gz LAUDAIYCSAHZEF-KRTXAFLBSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1O ZINC000897680634 584038065 /nfs/dbraw/zinc/03/80/65/584038065.db2.gz LAUDAIYCSAHZEF-KRTXAFLBSA-N 1 2 245.244 1.917 20 0 BDADLO Cc1ccc(C[NH+]2CC(N3CCCC3=O)C2)cn1 ZINC000897783813 584048346 /nfs/dbraw/zinc/04/83/46/584048346.db2.gz JPHRYDHQTXSRJT-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO C=C=CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897816056 584050632 /nfs/dbraw/zinc/05/06/32/584050632.db2.gz JHDCBQIMXBRLJS-UHFFFAOYSA-N 1 2 219.288 1.384 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CO[C@H](CC)C1)C(=O)OC ZINC000897834246 584052441 /nfs/dbraw/zinc/05/24/41/584052441.db2.gz KRYOLKSFRFAPEZ-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC ZINC000897833877 584052499 /nfs/dbraw/zinc/05/24/99/584052499.db2.gz BJJKOYYHSJQSGX-LMLFDSFASA-N 1 2 229.320 1.484 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC ZINC000897834722 584052937 /nfs/dbraw/zinc/05/29/37/584052937.db2.gz XYWCXBAIIXUEEV-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO c1c[nH+]c(CNc2cnn(C3CCC3)c2)[nH]1 ZINC000897876272 584056847 /nfs/dbraw/zinc/05/68/47/584056847.db2.gz POFLLHBMMBQYJH-UHFFFAOYSA-N 1 2 217.276 1.943 20 0 BDADLO COC1(C(F)(F)F)CN(Cc2[nH+]ccn2C)C1 ZINC000897879069 584057031 /nfs/dbraw/zinc/05/70/31/584057031.db2.gz AJPFJSVLKPTEGI-UHFFFAOYSA-N 1 2 249.236 1.183 20 0 BDADLO CCC1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000897946299 584062500 /nfs/dbraw/zinc/06/25/00/584062500.db2.gz NWIHASZYEBWXFS-UHFFFAOYSA-N 1 2 235.331 1.795 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cn(C)nc2Cl)c1 ZINC000898042373 584080532 /nfs/dbraw/zinc/08/05/32/584080532.db2.gz OGPWCELTSGBFBF-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cn1c[nH+]c(CNCc2cn(C)nc2Cl)c1 ZINC000898042373 584080534 /nfs/dbraw/zinc/08/05/34/584080534.db2.gz OGPWCELTSGBFBF-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000898043152 584080601 /nfs/dbraw/zinc/08/06/01/584080601.db2.gz GMQNWRPEWHEALO-ZDUSSCGKSA-N 1 2 242.326 1.982 20 0 BDADLO CCn1ncc(CN[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000858444586 588955640 /nfs/dbraw/zinc/95/56/40/588955640.db2.gz NEEMYLNNLQVTKF-LLVKDONJSA-N 1 2 246.318 1.119 20 0 BDADLO CC(C)c1c[nH]c(CN2CC[C@@H](O)[C@H](F)C2)[nH+]1 ZINC000898183085 584092863 /nfs/dbraw/zinc/09/28/63/584092863.db2.gz HFNZTLZMIPSTPQ-MWLCHTKSSA-N 1 2 241.310 1.438 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)sn1 ZINC000898189374 584094957 /nfs/dbraw/zinc/09/49/57/584094957.db2.gz ZQEFPRFHHVKKQJ-ZJUUUORDSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)sn1 ZINC000898189374 584094958 /nfs/dbraw/zinc/09/49/58/584094958.db2.gz ZQEFPRFHHVKKQJ-ZJUUUORDSA-N 1 2 230.308 1.356 20 0 BDADLO O[C@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000898192971 584096146 /nfs/dbraw/zinc/09/61/46/584096146.db2.gz NFWZLSPOHSIHJP-GWCFXTLKSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000898192971 584096147 /nfs/dbraw/zinc/09/61/47/584096147.db2.gz NFWZLSPOHSIHJP-GWCFXTLKSA-N 1 2 249.289 1.468 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000898256985 584106644 /nfs/dbraw/zinc/10/66/44/584106644.db2.gz KYDWPBXDZQKGEN-HBNTYKKESA-N 1 2 248.330 1.740 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]C/C=C/Cl)nn1 ZINC000898434918 584135756 /nfs/dbraw/zinc/13/57/56/584135756.db2.gz YUSNFVHTTIQOCS-SNAWJCMRSA-N 1 2 228.727 1.875 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@]2(C)CC2(C)C)c1 ZINC000898616142 584145041 /nfs/dbraw/zinc/14/50/41/584145041.db2.gz PIBVYCVKKSDADK-GFCCVEGCSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000898612648 584146281 /nfs/dbraw/zinc/14/62/81/584146281.db2.gz PZTJSHHPPKXRLM-KXGXSXBTSA-N 1 2 248.330 1.264 20 0 BDADLO C[C@H]1CN(C(=O)NCc2cn(C)c[nH+]2)C[C@H]1C ZINC000898628410 584147020 /nfs/dbraw/zinc/14/70/20/584147020.db2.gz SKWILNNRWMQKQJ-AOOOYVTPSA-N 1 2 236.319 1.218 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000898810293 584160168 /nfs/dbraw/zinc/16/01/68/584160168.db2.gz KBVUIBRTVVRSSP-SECBINFHSA-N 1 2 231.255 1.659 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884406 584163949 /nfs/dbraw/zinc/16/39/49/584163949.db2.gz QJBDJMKVBYPDJQ-UWVGGRQHSA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)(CNC(=O)[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC000898904589 584164910 /nfs/dbraw/zinc/16/49/10/584164910.db2.gz ICBYPCVAQFKFRO-SNVBAGLBSA-N 1 2 235.331 1.781 20 0 BDADLO CC[C@@H](C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899315 584165057 /nfs/dbraw/zinc/16/50/57/584165057.db2.gz IBGNMAMCEWPRQE-SNVBAGLBSA-N 1 2 223.320 1.781 20 0 BDADLO CO[C@H](C)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901845 584165308 /nfs/dbraw/zinc/16/53/08/584165308.db2.gz HLEWHKAZZIYMMO-SNVBAGLBSA-N 1 2 239.319 1.159 20 0 BDADLO COC(C)(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898902112 584165513 /nfs/dbraw/zinc/16/55/13/584165513.db2.gz JPTUEOIAKQUACN-UHFFFAOYSA-N 1 2 239.319 1.159 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000899405336 584212834 /nfs/dbraw/zinc/21/28/34/584212834.db2.gz ITCKYROMPKQHKB-AAXDQBDMSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000899405336 584212836 /nfs/dbraw/zinc/21/28/36/584212836.db2.gz ITCKYROMPKQHKB-AAXDQBDMSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000899405338 584212892 /nfs/dbraw/zinc/21/28/92/584212892.db2.gz ITCKYROMPKQHKB-URBCHYCLSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000899405338 584212893 /nfs/dbraw/zinc/21/28/93/584212893.db2.gz ITCKYROMPKQHKB-URBCHYCLSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000899408241 584213129 /nfs/dbraw/zinc/21/31/29/584213129.db2.gz YHIXSCOLYAHFHC-VCDKRKBESA-N 1 2 247.342 1.371 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@](O)(C(F)F)C1 ZINC000858560284 588966193 /nfs/dbraw/zinc/96/61/93/588966193.db2.gz RBINYZVCUHQUTG-LLVKDONJSA-N 1 2 244.241 1.297 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCCF ZINC000899811076 584238751 /nfs/dbraw/zinc/23/87/51/584238751.db2.gz GROZUFRDLQJRGP-SECBINFHSA-N 1 2 227.283 1.406 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCCF ZINC000899811076 584238753 /nfs/dbraw/zinc/23/87/53/584238753.db2.gz GROZUFRDLQJRGP-SECBINFHSA-N 1 2 227.283 1.406 20 0 BDADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000858580727 588968731 /nfs/dbraw/zinc/96/87/31/588968731.db2.gz VBKFNWMNKDJIKP-BDAKNGLRSA-N 1 2 241.291 1.042 20 0 BDADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000858580410 588968869 /nfs/dbraw/zinc/96/88/69/588968869.db2.gz ZSFWRFXCNWLPHX-YUMQZZPRSA-N 1 2 243.332 1.202 20 0 BDADLO CCCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899918346 584251843 /nfs/dbraw/zinc/25/18/43/584251843.db2.gz XTAZMXWLPXYDDF-BENRWUELSA-N 1 2 240.347 1.181 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000899936730 584258288 /nfs/dbraw/zinc/25/82/88/584258288.db2.gz FUUJHFDUDKJXFT-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000899936730 584258290 /nfs/dbraw/zinc/25/82/90/584258290.db2.gz FUUJHFDUDKJXFT-MWLCHTKSSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000899981454 584262066 /nfs/dbraw/zinc/26/20/66/584262066.db2.gz RAXZDRFOILWEND-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)c1cccnc1 ZINC000899981454 584262067 /nfs/dbraw/zinc/26/20/67/584262067.db2.gz RAXZDRFOILWEND-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ncc[nH]1 ZINC000858603183 588970595 /nfs/dbraw/zinc/97/05/95/588970595.db2.gz SYJRIVOXIMQKAX-MWLCHTKSSA-N 1 2 248.330 1.214 20 0 BDADLO CCC[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c32)C1=O ZINC000900112772 584274251 /nfs/dbraw/zinc/27/42/51/584274251.db2.gz LMPISQXZHFMATK-IUCAKERBSA-N 1 2 248.286 1.048 20 0 BDADLO C/C(=C/C(=O)N(C)C(C)C)C[NH+]1CCOCC1 ZINC000900117705 584275004 /nfs/dbraw/zinc/27/50/04/584275004.db2.gz JIINSWYQFBAVEU-XFXZXTDPSA-N 1 2 240.347 1.132 20 0 BDADLO CC[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CCO1 ZINC000900107663 584276672 /nfs/dbraw/zinc/27/66/72/584276672.db2.gz UGMYWRLJJYRXAE-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CCCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900129431 584280285 /nfs/dbraw/zinc/28/02/85/584280285.db2.gz LVPOSJRXTCRDKC-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC1CCCC1 ZINC000900161037 584281053 /nfs/dbraw/zinc/28/10/53/584281053.db2.gz QDXUUGOOKUKNEA-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1CCCC1 ZINC000900161037 584281051 /nfs/dbraw/zinc/28/10/51/584281051.db2.gz QDXUUGOOKUKNEA-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900347536 584296320 /nfs/dbraw/zinc/29/63/20/584296320.db2.gz WPULYOPGCSPRHD-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC1CCC(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900347536 584296322 /nfs/dbraw/zinc/29/63/22/584296322.db2.gz WPULYOPGCSPRHD-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](CNC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900367288 584297131 /nfs/dbraw/zinc/29/71/31/584297131.db2.gz LIVXCXNXRIYKKA-JTQLQIEISA-N 1 2 233.315 1.656 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]1c1ccccc1 ZINC000900368242 584297727 /nfs/dbraw/zinc/29/77/27/584297727.db2.gz BGYRHOUQXDHWLL-STQMWFEESA-N 1 2 241.294 1.625 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1C[C@H]1c1ccccc1 ZINC000900368242 584297730 /nfs/dbraw/zinc/29/77/30/584297730.db2.gz BGYRHOUQXDHWLL-STQMWFEESA-N 1 2 241.294 1.625 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446450 584311742 /nfs/dbraw/zinc/31/17/42/584311742.db2.gz NLESZFOPMPNJJN-VUDBWIFFSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2ccnn2C)c[nH+]1 ZINC000900467873 584314288 /nfs/dbraw/zinc/31/42/88/584314288.db2.gz FQPDFQSLIYMWSZ-UHFFFAOYSA-N 1 2 247.302 1.299 20 0 BDADLO CCCCn1nccc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900469661 584314425 /nfs/dbraw/zinc/31/44/25/584314425.db2.gz KAJLRZKTBAHMJS-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO CCCCn1nccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900469661 584314426 /nfs/dbraw/zinc/31/44/26/584314426.db2.gz KAJLRZKTBAHMJS-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO COCC(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000900530323 584322838 /nfs/dbraw/zinc/32/28/38/584322838.db2.gz DOXVUWSQYSRNKZ-UHFFFAOYSA-N 1 2 237.303 1.035 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(C2CCC2)nn1 ZINC000900542849 584324396 /nfs/dbraw/zinc/32/43/96/584324396.db2.gz NZLMNWWIMNOXDL-UHFFFAOYSA-N 1 2 217.276 1.327 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC[C@H]1C1CC1 ZINC000900562170 584325231 /nfs/dbraw/zinc/32/52/31/584325231.db2.gz QGCYLOXHVIOJHH-LBPRGKRZSA-N 1 2 245.326 1.895 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)n[nH]1 ZINC000900567062 584326098 /nfs/dbraw/zinc/32/60/98/584326098.db2.gz VVQCWCSNSSELJC-ZJUUUORDSA-N 1 2 249.318 1.069 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)n[nH]1 ZINC000900567062 584326101 /nfs/dbraw/zinc/32/61/01/584326101.db2.gz VVQCWCSNSSELJC-ZJUUUORDSA-N 1 2 249.318 1.069 20 0 BDADLO c1cn(CCn2cc(C3CCC3)nn2)c[nH+]1 ZINC000900559324 584328623 /nfs/dbraw/zinc/32/86/23/584328623.db2.gz BHCUEAQFPZVRTA-UHFFFAOYSA-N 1 2 217.276 1.442 20 0 BDADLO C/C(=C(\F)C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000900647914 584335111 /nfs/dbraw/zinc/33/51/11/584335111.db2.gz UNPLFOQTINUEJP-DHZHZOJOSA-N 1 2 237.278 1.722 20 0 BDADLO C/C(Cl)=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646602 584335125 /nfs/dbraw/zinc/33/51/25/584335125.db2.gz GEPJDZIAKAOZOR-VOTSOKGWSA-N 1 2 213.668 1.211 20 0 BDADLO CC[C@H](O)[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900670869 584339625 /nfs/dbraw/zinc/33/96/25/584339625.db2.gz IMNHKEOHQHFDQR-KOLCDFICSA-N 1 2 247.298 1.680 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900678933 584340728 /nfs/dbraw/zinc/34/07/28/584340728.db2.gz ZAVGWTKSBMMCQA-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900678933 584340729 /nfs/dbraw/zinc/34/07/29/584340729.db2.gz ZAVGWTKSBMMCQA-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO CSCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900759971 584346535 /nfs/dbraw/zinc/34/65/35/584346535.db2.gz PQMHKJXMEFBAPV-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO CSCCCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900759971 584346536 /nfs/dbraw/zinc/34/65/36/584346536.db2.gz PQMHKJXMEFBAPV-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO CC(C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900744205 584348289 /nfs/dbraw/zinc/34/82/89/584348289.db2.gz CIKHWVOSDMKEBA-GFCCVEGCSA-N 1 2 235.331 1.989 20 0 BDADLO C/C(Cl)=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000900787713 584351484 /nfs/dbraw/zinc/35/14/84/584351484.db2.gz RJVQAPHSQORLQW-JRZFIGEHSA-N 1 2 241.722 1.778 20 0 BDADLO CSCC[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900765085 584353683 /nfs/dbraw/zinc/35/36/83/584353683.db2.gz UXSADQRWKPAFLT-VIFPVBQESA-N 1 2 241.360 1.552 20 0 BDADLO CC(C)c1nc(NC[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000858802969 588977050 /nfs/dbraw/zinc/97/70/50/588977050.db2.gz QDBAKUWRRPQCDN-AOOOYVTPSA-N 1 2 221.304 1.783 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000900846189 584356572 /nfs/dbraw/zinc/35/65/72/584356572.db2.gz GBVAUFNJEGAXRR-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000900846189 584356574 /nfs/dbraw/zinc/35/65/74/584356574.db2.gz GBVAUFNJEGAXRR-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900882596 584360644 /nfs/dbraw/zinc/36/06/44/584360644.db2.gz SHCVNTNTYPKGAX-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CC[C@]1(C)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900883572 584360816 /nfs/dbraw/zinc/36/08/16/584360816.db2.gz AXDMDDVKMVAXDF-CYBMUJFWSA-N 1 2 235.331 1.991 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC2(CCC2)C1 ZINC000901032538 584375719 /nfs/dbraw/zinc/37/57/19/584375719.db2.gz ROBZAANMNZULJG-UHFFFAOYSA-N 1 2 245.326 1.896 20 0 BDADLO CC1(NC(=O)CNc2cccc[nH+]2)CCOCC1 ZINC000901185068 584393322 /nfs/dbraw/zinc/39/33/22/584393322.db2.gz BTZKUTFWALEGHO-UHFFFAOYSA-N 1 2 249.314 1.179 20 0 BDADLO CC[C@H]([NH2+]C[C@@]1(C)CCCCO1)C(=O)OC ZINC000901605485 584468967 /nfs/dbraw/zinc/46/89/67/584468967.db2.gz AHDRFVIVBRWPSH-CMPLNLGQSA-N 1 2 229.320 1.487 20 0 BDADLO CCCOC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858949338 588986803 /nfs/dbraw/zinc/98/68/03/588986803.db2.gz NOBYBOQDMHNASN-WDEREUQCSA-N 1 2 244.335 1.232 20 0 BDADLO Cc1ccccc1C[N@H+](C)CN1CCOC1=O ZINC000902028967 584513273 /nfs/dbraw/zinc/51/32/73/584513273.db2.gz SLXUHQPSZVEIIX-UHFFFAOYSA-N 1 2 234.299 1.837 20 0 BDADLO Cc1ccccc1C[N@@H+](C)CN1CCOC1=O ZINC000902028967 584513275 /nfs/dbraw/zinc/51/32/75/584513275.db2.gz SLXUHQPSZVEIIX-UHFFFAOYSA-N 1 2 234.299 1.837 20 0 BDADLO O=C1[C@@H]2C[C@@H]2CN1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000902057202 584515799 /nfs/dbraw/zinc/51/57/99/584515799.db2.gz JSFZDPKTTSRGAR-MCIONIFRSA-N 1 2 242.322 1.869 20 0 BDADLO O=C1[C@@H]2C[C@@H]2CN1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000902057202 584515802 /nfs/dbraw/zinc/51/58/02/584515802.db2.gz JSFZDPKTTSRGAR-MCIONIFRSA-N 1 2 242.322 1.869 20 0 BDADLO CCn1c[nH+]cc1CNc1cccn(CC)c1=O ZINC000902120704 584528614 /nfs/dbraw/zinc/52/86/14/584528614.db2.gz YPRXYEALIFCPAS-UHFFFAOYSA-N 1 2 246.314 1.697 20 0 BDADLO COC[C@H]1CC[N@@H+]1CN1Cc2ccccc2C1=O ZINC000902281088 584547265 /nfs/dbraw/zinc/54/72/65/584547265.db2.gz WWJFGODEGBSBJU-GFCCVEGCSA-N 1 2 246.310 1.321 20 0 BDADLO COC[C@H]1CC[N@H+]1CN1Cc2ccccc2C1=O ZINC000902281088 584547266 /nfs/dbraw/zinc/54/72/66/584547266.db2.gz WWJFGODEGBSBJU-GFCCVEGCSA-N 1 2 246.310 1.321 20 0 BDADLO CCn1c[nH+]c(CN[C@H](COC)c2ccco2)c1 ZINC000902290445 584548665 /nfs/dbraw/zinc/54/86/65/584548665.db2.gz CYMKAJCHWIAYPL-GFCCVEGCSA-N 1 2 249.314 1.973 20 0 BDADLO C[C@@]12CC[N@H+](CN3CCOC3=O)C[C@@H]1C2(F)F ZINC000902275150 584550183 /nfs/dbraw/zinc/55/01/83/584550183.db2.gz HSXTWISRRPSPEV-WCBMZHEXSA-N 1 2 246.257 1.373 20 0 BDADLO C[C@@]12CC[N@@H+](CN3CCOC3=O)C[C@@H]1C2(F)F ZINC000902275150 584550184 /nfs/dbraw/zinc/55/01/84/584550184.db2.gz HSXTWISRRPSPEV-WCBMZHEXSA-N 1 2 246.257 1.373 20 0 BDADLO Cc1nn(Cc2ccc(N)[nH+]c2)c(C)c1CCO ZINC000902322649 584560149 /nfs/dbraw/zinc/56/01/49/584560149.db2.gz VAURFPQZZNOLSB-UHFFFAOYSA-N 1 2 246.314 1.060 20 0 BDADLO CCCOC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000859066006 588996192 /nfs/dbraw/zinc/99/61/92/588996192.db2.gz LAUYPJLVCRGYDJ-UHFFFAOYSA-N 1 2 233.271 1.971 20 0 BDADLO C[C@@H]([NH2+]Cc1csc(N)n1)c1cccnc1 ZINC000902490420 584617605 /nfs/dbraw/zinc/61/76/05/584617605.db2.gz NPNNCIVNHDHUDC-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)Cc1ccccc1F ZINC000902623667 584640322 /nfs/dbraw/zinc/64/03/22/584640322.db2.gz UXMQBDLTFABKDO-VIFPVBQESA-N 1 2 240.278 1.902 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cn1cc[nH]c1=S ZINC000902636054 584648596 /nfs/dbraw/zinc/64/85/96/584648596.db2.gz DSSLBUVVKCINEU-BDAKNGLRSA-N 1 2 227.333 1.239 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1cc[nH]c1=S ZINC000902636054 584648597 /nfs/dbraw/zinc/64/85/97/584648597.db2.gz DSSLBUVVKCINEU-BDAKNGLRSA-N 1 2 227.333 1.239 20 0 BDADLO CCNC(=O)NOCc1ccc(C)[nH+]c1C ZINC000902773041 584668699 /nfs/dbraw/zinc/66/86/99/584668699.db2.gz ZDMAJADOHBPHOU-UHFFFAOYSA-N 1 2 223.276 1.449 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cn(C)nn1 ZINC000902882659 584688119 /nfs/dbraw/zinc/68/81/19/584688119.db2.gz YEUBDFRJZCWVTO-SCZZXKLOSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cn(C)nn1 ZINC000902882659 584688120 /nfs/dbraw/zinc/68/81/20/584688120.db2.gz YEUBDFRJZCWVTO-SCZZXKLOSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cn(C)nn1 ZINC000902882661 584688445 /nfs/dbraw/zinc/68/84/45/584688445.db2.gz YEUBDFRJZCWVTO-WPRPVWTQSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cn(C)nn1 ZINC000902882661 584688446 /nfs/dbraw/zinc/68/84/46/584688446.db2.gz YEUBDFRJZCWVTO-WPRPVWTQSA-N 1 2 246.318 1.266 20 0 BDADLO CCCOC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000859116419 589004163 /nfs/dbraw/zinc/00/41/63/589004163.db2.gz HRCMCNHOQXJUAR-SECBINFHSA-N 1 2 223.276 1.334 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)OC1COC1 ZINC000902954522 584705089 /nfs/dbraw/zinc/70/50/89/584705089.db2.gz AUQNSJJXNYXMOR-UHFFFAOYSA-N 1 2 233.227 1.282 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)N1CCCC1)C2 ZINC000902984706 584708684 /nfs/dbraw/zinc/70/86/84/584708684.db2.gz FAOCIIWVHWGSNB-UHFFFAOYSA-N 1 2 248.330 1.477 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992363 584711036 /nfs/dbraw/zinc/71/10/36/584711036.db2.gz KGYGCEXSRHMNPI-GHMZBOCLSA-N 1 2 242.338 1.820 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992363 584711038 /nfs/dbraw/zinc/71/10/38/584711038.db2.gz KGYGCEXSRHMNPI-GHMZBOCLSA-N 1 2 242.338 1.820 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](F)C2)ncn1 ZINC000902993788 584712005 /nfs/dbraw/zinc/71/20/05/584712005.db2.gz YAJYLVYPHWGOGD-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](F)C2)ncn1 ZINC000902993788 584712006 /nfs/dbraw/zinc/71/20/06/584712006.db2.gz YAJYLVYPHWGOGD-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001110 584715606 /nfs/dbraw/zinc/71/56/06/584715606.db2.gz KGKFQSKEGANDHH-AXFHLTTASA-N 1 2 230.327 1.724 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001110 584715608 /nfs/dbraw/zinc/71/56/08/584715608.db2.gz KGKFQSKEGANDHH-AXFHLTTASA-N 1 2 230.327 1.724 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903004071 584716617 /nfs/dbraw/zinc/71/66/17/584716617.db2.gz YZJBVEMYXLKFNE-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903004071 584716619 /nfs/dbraw/zinc/71/66/19/584716619.db2.gz YZJBVEMYXLKFNE-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859142402 589008747 /nfs/dbraw/zinc/00/87/47/589008747.db2.gz CVUHPZDXOKFMRC-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnc(F)c1 ZINC000859142402 589008749 /nfs/dbraw/zinc/00/87/49/589008749.db2.gz CVUHPZDXOKFMRC-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO Cc1ccc(N[C@H]2CCO[C@@]23CCOC3)c[nH+]1 ZINC000903140058 584730837 /nfs/dbraw/zinc/73/08/37/584730837.db2.gz ZOOZMOZGRYEFDZ-QWHCGFSZSA-N 1 2 234.299 1.750 20 0 BDADLO CCOC(=O)CCCCN1CC=CC[NH2+]1 ZINC000903489715 584780546 /nfs/dbraw/zinc/78/05/46/584780546.db2.gz YPENWRFATVZSFW-UHFFFAOYSA-N 1 2 212.293 1.096 20 0 BDADLO C[C@H]1CCCC[C@H]1OCCN1CC=CC[NH2+]1 ZINC000903488540 584780567 /nfs/dbraw/zinc/78/05/67/584780567.db2.gz ISVOMHBWHLRONA-QWHCGFSZSA-N 1 2 224.348 1.958 20 0 BDADLO C[C@@H](c1noc([C@H](C)[NH+](C)C)n1)[C@@H]1CCCO1 ZINC000903816700 584800987 /nfs/dbraw/zinc/80/09/87/584800987.db2.gz OZQVWZMIXNAEQJ-UTLUCORTSA-N 1 2 239.319 1.975 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856196 584808850 /nfs/dbraw/zinc/80/88/50/584808850.db2.gz QIKITQPULRUASU-ZIAGYGMSSA-N 1 2 248.374 1.395 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856196 584808851 /nfs/dbraw/zinc/80/88/51/584808851.db2.gz QIKITQPULRUASU-ZIAGYGMSSA-N 1 2 248.374 1.395 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Oc1cnn(C)c1 ZINC000904021802 584836862 /nfs/dbraw/zinc/83/68/62/584836862.db2.gz CTQVPLYRVISQCW-NSHDSACASA-N 1 2 237.303 1.198 20 0 BDADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Oc1cnn(C)c1 ZINC000904021802 584836863 /nfs/dbraw/zinc/83/68/63/584836863.db2.gz CTQVPLYRVISQCW-NSHDSACASA-N 1 2 237.303 1.198 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CCCO2)n1 ZINC000904269454 584858580 /nfs/dbraw/zinc/85/85/80/584858580.db2.gz GSYWOKNOYPZKGL-VIFPVBQESA-N 1 2 246.270 1.874 20 0 BDADLO CCCOCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257965 584859193 /nfs/dbraw/zinc/85/91/93/584859193.db2.gz HBRYKYLUOVBZKI-UHFFFAOYSA-N 1 2 248.286 1.949 20 0 BDADLO CO[C@H](C)Cc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257961 584859227 /nfs/dbraw/zinc/85/92/27/584859227.db2.gz HBMWJXTXIOOOHD-SSDOTTSWSA-N 1 2 248.286 1.600 20 0 BDADLO CO[C@@H](C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257894 584859460 /nfs/dbraw/zinc/85/94/60/584859460.db2.gz FMRBFQAYVGWYQN-ZETCQYMHSA-N 1 2 234.259 1.730 20 0 BDADLO Cc1cc(C)c(CNC(=O)OCCF)c[nH+]1 ZINC000859182685 589015586 /nfs/dbraw/zinc/01/55/86/589015586.db2.gz YNRDZUQZUVCRQF-UHFFFAOYSA-N 1 2 226.251 1.894 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)on1 ZINC000761097049 584909874 /nfs/dbraw/zinc/90/98/74/584909874.db2.gz RMGVYKNMOFKPAB-AEJSXWLSSA-N 1 2 235.287 1.404 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)on1 ZINC000761097049 584909875 /nfs/dbraw/zinc/90/98/75/584909875.db2.gz RMGVYKNMOFKPAB-AEJSXWLSSA-N 1 2 235.287 1.404 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1CC1(F)F ZINC000835329490 584924126 /nfs/dbraw/zinc/92/41/26/584924126.db2.gz CKJOJZFKNMYKHU-QMMMGPOBSA-N 1 2 244.241 1.551 20 0 BDADLO CC(C)c1nc(NC[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000731920893 584931449 /nfs/dbraw/zinc/93/14/49/584931449.db2.gz UOWRJUWLTNYSMG-ZETCQYMHSA-N 1 2 249.236 1.935 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC1(Cl)Cl ZINC000732094985 584933856 /nfs/dbraw/zinc/93/38/56/584933856.db2.gz QNNKZOCYKOMUFJ-ZCFIWIBFSA-N 1 2 248.113 1.562 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)[nH]n1 ZINC000765278229 584937193 /nfs/dbraw/zinc/93/71/93/584937193.db2.gz CCWWQXMPNTUXIW-NSHDSACASA-N 1 2 231.303 1.608 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)[nH]n1 ZINC000765278229 584937194 /nfs/dbraw/zinc/93/71/94/584937194.db2.gz CCWWQXMPNTUXIW-NSHDSACASA-N 1 2 231.303 1.608 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cccnc1 ZINC000788054183 584945686 /nfs/dbraw/zinc/94/56/86/584945686.db2.gz JMZQQAJWOMXMQN-UHFFFAOYSA-N 1 2 217.228 1.135 20 0 BDADLO COC1C[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000733995207 584956244 /nfs/dbraw/zinc/95/62/44/584956244.db2.gz DQIFQGVZQVULHX-LBPRGKRZSA-N 1 2 225.263 1.190 20 0 BDADLO Cc1nonc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000734148610 584957791 /nfs/dbraw/zinc/95/77/91/584957791.db2.gz BXXCCTDSQCPVIG-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO CC[N@@H+](Cc1nonc1C)C[C@@H]1CCCO1 ZINC000734152130 584957870 /nfs/dbraw/zinc/95/78/70/584957870.db2.gz PGOGHTIATMGOSF-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1nonc1C)C[C@@H]1CCCO1 ZINC000734152130 584957871 /nfs/dbraw/zinc/95/78/71/584957871.db2.gz PGOGHTIATMGOSF-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1cnc(N2CCN(C)c3[nH+]cccc3C2)o1 ZINC000884575853 584958914 /nfs/dbraw/zinc/95/89/14/584958914.db2.gz UJRDCLWPRNXNOJ-UHFFFAOYSA-N 1 2 244.298 1.834 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000772504940 585015054 /nfs/dbraw/zinc/01/50/54/585015054.db2.gz PUPVGAIFXGCTBP-VXGBXAGGSA-N 1 2 241.331 1.154 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C/C2CCOCC2)c1 ZINC000890113837 585024041 /nfs/dbraw/zinc/02/40/41/585024041.db2.gz QRHQOBSDVYNBCP-NSCUHMNNSA-N 1 2 249.314 1.019 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccco1 ZINC000788081504 585027506 /nfs/dbraw/zinc/02/75/06/585027506.db2.gz RERZXKUSLYQGHM-VIFPVBQESA-N 1 2 227.235 1.480 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccco1 ZINC000788081504 585027507 /nfs/dbraw/zinc/02/75/07/585027507.db2.gz RERZXKUSLYQGHM-VIFPVBQESA-N 1 2 227.235 1.480 20 0 BDADLO CNC(=S)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000840783972 585029822 /nfs/dbraw/zinc/02/98/22/585029822.db2.gz OLBUABGBEKTYOL-MRVPVSSYSA-N 1 2 238.360 1.307 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CC=CCC1 ZINC000788083303 585030500 /nfs/dbraw/zinc/03/05/00/585030500.db2.gz JXACPLKHVDREFV-RYUDHWBXSA-N 1 2 241.306 1.930 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CC=CCC1 ZINC000788083303 585030501 /nfs/dbraw/zinc/03/05/01/585030501.db2.gz JXACPLKHVDREFV-RYUDHWBXSA-N 1 2 241.306 1.930 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCNC(=O)C(C)C ZINC000179993101 585032399 /nfs/dbraw/zinc/03/23/99/585032399.db2.gz LDXVVSJHZWXHAI-SECBINFHSA-N 1 2 238.335 1.141 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000774854788 585036707 /nfs/dbraw/zinc/03/67/07/585036707.db2.gz INPHBQMRQFOTHV-LBPRGKRZSA-N 1 2 247.298 1.591 20 0 BDADLO C/C=C/C(=O)NCCCCNc1cccc[nH+]1 ZINC000737843609 585038783 /nfs/dbraw/zinc/03/87/83/585038783.db2.gz XHPDDAPMEJTJHR-FARCUNLSSA-N 1 2 233.315 1.966 20 0 BDADLO CC1(NC(=O)N[C@H]2CCn3cc[nH+]c32)CCCC1 ZINC000838278437 585053003 /nfs/dbraw/zinc/05/30/03/585053003.db2.gz VVCISVLTHSEPIS-JTQLQIEISA-N 1 2 248.330 1.960 20 0 BDADLO CCn1ncc(C[N@H+](C)CCOC(C)(C)C)n1 ZINC000838851983 585074680 /nfs/dbraw/zinc/07/46/80/585074680.db2.gz VFETWMHKEWEOIY-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCn1ncc(C[N@@H+](C)CCOC(C)(C)C)n1 ZINC000838851983 585074681 /nfs/dbraw/zinc/07/46/81/585074681.db2.gz VFETWMHKEWEOIY-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO O[C@H](C[N@@H+]1CCOC[C@@H]1c1ccco1)C1CC1 ZINC000838847762 585074712 /nfs/dbraw/zinc/07/47/12/585074712.db2.gz BXYWUKBWGRRFPU-VXGBXAGGSA-N 1 2 237.299 1.424 20 0 BDADLO O[C@H](C[N@H+]1CCOC[C@@H]1c1ccco1)C1CC1 ZINC000838847762 585074713 /nfs/dbraw/zinc/07/47/13/585074713.db2.gz BXYWUKBWGRRFPU-VXGBXAGGSA-N 1 2 237.299 1.424 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000838904224 585077416 /nfs/dbraw/zinc/07/74/16/585077416.db2.gz JTJIEVFSVUCLKG-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000838904224 585077417 /nfs/dbraw/zinc/07/74/17/585077417.db2.gz JTJIEVFSVUCLKG-QMMMGPOBSA-N 1 2 248.252 1.682 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnccn2)C[C@H]1F ZINC000838996803 585085191 /nfs/dbraw/zinc/08/51/91/585085191.db2.gz ZWVJRSYDDOOVRC-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnccn2)C[C@H]1F ZINC000838996803 585085192 /nfs/dbraw/zinc/08/51/92/585085192.db2.gz ZWVJRSYDDOOVRC-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO CCn1ncc(C[N@@H+]2CCCSCC2)n1 ZINC000838998350 585085740 /nfs/dbraw/zinc/08/57/40/585085740.db2.gz SXAANDADDJQBPG-UHFFFAOYSA-N 1 2 226.349 1.237 20 0 BDADLO CCn1ncc(C[N@H+]2CCCSCC2)n1 ZINC000838998350 585085741 /nfs/dbraw/zinc/08/57/41/585085741.db2.gz SXAANDADDJQBPG-UHFFFAOYSA-N 1 2 226.349 1.237 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H](O)C1CC1 ZINC000839028849 585088349 /nfs/dbraw/zinc/08/83/49/585088349.db2.gz UZCDJUNFGQYACV-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@@H](O)C1CC1 ZINC000839028848 585088379 /nfs/dbraw/zinc/08/83/79/585088379.db2.gz UZCDJUNFGQYACV-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@H]2C2CC2)n1 ZINC000839126624 585093301 /nfs/dbraw/zinc/09/33/01/585093301.db2.gz VYTYUIXRGWQMOC-NSHDSACASA-N 1 2 206.293 1.282 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@H]2C2CC2)n1 ZINC000839126624 585093302 /nfs/dbraw/zinc/09/33/02/585093302.db2.gz VYTYUIXRGWQMOC-NSHDSACASA-N 1 2 206.293 1.282 20 0 BDADLO C=Cn1cc(C[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000839133695 585094105 /nfs/dbraw/zinc/09/41/05/585094105.db2.gz UFEZMDYVFSQNSD-UHFFFAOYSA-N 1 2 221.304 1.186 20 0 BDADLO Cc1nocc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839133694 585094132 /nfs/dbraw/zinc/09/41/32/585094132.db2.gz UDWZPTDAYLGWGM-UHFFFAOYSA-N 1 2 210.277 1.186 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000740860574 585107393 /nfs/dbraw/zinc/10/73/93/585107393.db2.gz QVWBTSYRYPOMQX-MNOVXSKESA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000740860574 585107394 /nfs/dbraw/zinc/10/73/94/585107394.db2.gz QVWBTSYRYPOMQX-MNOVXSKESA-N 1 2 246.314 1.184 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000741031261 585109664 /nfs/dbraw/zinc/10/96/64/585109664.db2.gz OAZPEGMHSXDXAH-PWSUYJOCSA-N 1 2 241.331 1.772 20 0 BDADLO CCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742239918 585123780 /nfs/dbraw/zinc/12/37/80/585123780.db2.gz YPPSIFVMJPAZJK-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO CCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742239918 585123781 /nfs/dbraw/zinc/12/37/81/585123781.db2.gz YPPSIFVMJPAZJK-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCCn2cc[nH+]c2)o1 ZINC000742538920 585127770 /nfs/dbraw/zinc/12/77/70/585127770.db2.gz KLYOTENZBVTTFV-LLVKDONJSA-N 1 2 247.298 1.704 20 0 BDADLO O=C(/C=C\C1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000742627212 585128993 /nfs/dbraw/zinc/12/89/93/585128993.db2.gz HFRSJAJECMWBGS-ARJAWSKDSA-N 1 2 244.294 1.637 20 0 BDADLO CC/C=C(/C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000808098322 585133832 /nfs/dbraw/zinc/13/38/32/585133832.db2.gz KCSKXTVPHHHSNE-YVMONPNESA-N 1 2 234.303 1.340 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743353099 585135795 /nfs/dbraw/zinc/13/57/95/585135795.db2.gz VLDGOPAPDCXTFX-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743353099 585135796 /nfs/dbraw/zinc/13/57/96/585135796.db2.gz VLDGOPAPDCXTFX-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[C@H]1C[N@H+](Cn2cc[nH]c2=S)CCCO1 ZINC000743368822 585135819 /nfs/dbraw/zinc/13/58/19/585135819.db2.gz SIOOADJNEVGTKG-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO C[C@H]1C[N@@H+](Cn2cc[nH]c2=S)CCCO1 ZINC000743368822 585135820 /nfs/dbraw/zinc/13/58/20/585135820.db2.gz SIOOADJNEVGTKG-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO CCOCCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000744995678 585155046 /nfs/dbraw/zinc/15/50/46/585155046.db2.gz BYXMLGPXHGWNSF-UHFFFAOYSA-N 1 2 248.282 1.918 20 0 BDADLO CC(=O)CCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082666 585156047 /nfs/dbraw/zinc/15/60/47/585156047.db2.gz QIIHBQHQBLVYAW-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO CC(=O)CCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082666 585156048 /nfs/dbraw/zinc/15/60/48/585156048.db2.gz QIIHBQHQBLVYAW-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO Cc1noc(C)c1C[NH+]1CCN(CCF)CC1 ZINC000746501051 585169429 /nfs/dbraw/zinc/16/94/29/585169429.db2.gz IDWBUFWHCWSPMD-UHFFFAOYSA-N 1 2 241.310 1.379 20 0 BDADLO O=c1sccn1C[N@@H+]1CCCSCC1 ZINC000746603478 585170685 /nfs/dbraw/zinc/17/06/85/585170685.db2.gz OUTOUIIOODKFQD-UHFFFAOYSA-N 1 2 230.358 1.306 20 0 BDADLO O=c1sccn1C[N@H+]1CCCSCC1 ZINC000746603478 585170686 /nfs/dbraw/zinc/17/06/86/585170686.db2.gz OUTOUIIOODKFQD-UHFFFAOYSA-N 1 2 230.358 1.306 20 0 BDADLO CC[N@H+](Cn1nc2c(cc1=O)CCCC2)C1CC1 ZINC000746657647 585171837 /nfs/dbraw/zinc/17/18/37/585171837.db2.gz NMOGTIUUGIACQU-UHFFFAOYSA-N 1 2 247.342 1.564 20 0 BDADLO CC[N@@H+](Cn1nc2c(cc1=O)CCCC2)C1CC1 ZINC000746657647 585171838 /nfs/dbraw/zinc/17/18/38/585171838.db2.gz NMOGTIUUGIACQU-UHFFFAOYSA-N 1 2 247.342 1.564 20 0 BDADLO C[C@@H]1C[C@H](CO[NH+]=C(N)[C@@H]2CCCO2)CCO1 ZINC000789607794 585172951 /nfs/dbraw/zinc/17/29/51/585172951.db2.gz CRFRSFYLJKKHKY-MXWKQRLJSA-N 1 2 242.319 1.479 20 0 BDADLO COC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747771216 585183937 /nfs/dbraw/zinc/18/39/37/585183937.db2.gz ZEYGTMSQHIVIKI-UHFFFAOYSA-N 1 2 224.260 1.563 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OC[C@H]1CCOC1 ZINC000747821672 585184481 /nfs/dbraw/zinc/18/44/81/585184481.db2.gz HDOSCCUCVNEEDN-NSHDSACASA-N 1 2 234.299 1.878 20 0 BDADLO CC(C)c1ocnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000747974069 585186430 /nfs/dbraw/zinc/18/64/30/585186430.db2.gz FLNFSWTWCUJQKU-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)c1ocnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000747974069 585186431 /nfs/dbraw/zinc/18/64/31/585186431.db2.gz FLNFSWTWCUJQKU-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000748321789 585190732 /nfs/dbraw/zinc/19/07/32/585190732.db2.gz UGCKWKAVRVIIJQ-VIFPVBQESA-N 1 2 233.271 1.731 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000748321789 585190733 /nfs/dbraw/zinc/19/07/33/585190733.db2.gz UGCKWKAVRVIIJQ-VIFPVBQESA-N 1 2 233.271 1.731 20 0 BDADLO CC(C)(C)c1nc(N[C@H](CO)C2CC2)cc[nH+]1 ZINC000749282881 585200981 /nfs/dbraw/zinc/20/09/81/585200981.db2.gz SRLLWCQHSAWSHC-SNVBAGLBSA-N 1 2 235.331 1.957 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCCOC[C@@H]1C ZINC000749515025 585203462 /nfs/dbraw/zinc/20/34/62/585203462.db2.gz JMEFZGJAFXUBAI-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCCOC[C@@H]1C ZINC000749515025 585203463 /nfs/dbraw/zinc/20/34/63/585203463.db2.gz JMEFZGJAFXUBAI-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000751069200 585223924 /nfs/dbraw/zinc/22/39/24/585223924.db2.gz DIORWIYKCFEWPS-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000751069200 585223925 /nfs/dbraw/zinc/22/39/25/585223925.db2.gz DIORWIYKCFEWPS-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000751189987 585225228 /nfs/dbraw/zinc/22/52/28/585225228.db2.gz ANPIHVUMIBNDRD-NSHDSACASA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000751375361 585228149 /nfs/dbraw/zinc/22/81/49/585228149.db2.gz DTIWYBXXVVRHIE-VDUSXYPOSA-N 1 2 240.347 1.178 20 0 BDADLO Nc1ccc(CCC(=O)OCc2ccno2)c[nH+]1 ZINC000751455625 585230398 /nfs/dbraw/zinc/23/03/98/585230398.db2.gz JUBCXDMQMWXNOZ-UHFFFAOYSA-N 1 2 247.254 1.328 20 0 BDADLO CCn1cnn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751925363 585239192 /nfs/dbraw/zinc/23/91/92/585239192.db2.gz NZHOAMYCNLTQDJ-NXEZZACHSA-N 1 2 240.376 1.979 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cn1ncsc1=S ZINC000751946366 585239378 /nfs/dbraw/zinc/23/93/78/585239378.db2.gz GMXHYZONRQKNIK-QMMMGPOBSA-N 1 2 245.373 1.742 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cn1ncsc1=S ZINC000751946366 585239379 /nfs/dbraw/zinc/23/93/79/585239379.db2.gz GMXHYZONRQKNIK-QMMMGPOBSA-N 1 2 245.373 1.742 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000751963721 585239994 /nfs/dbraw/zinc/23/99/94/585239994.db2.gz QTYRKLUHTQPYMJ-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO Cc1noc(C)c1C(=O)OCc1c[nH+]cn1C ZINC000753146062 585254421 /nfs/dbraw/zinc/25/44/21/585254421.db2.gz GLXHEJZKVQBMLC-UHFFFAOYSA-N 1 2 235.243 1.382 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)NCc1[nH]cc[nH+]1 ZINC000753572267 585262104 /nfs/dbraw/zinc/26/21/04/585262104.db2.gz TVSSENZHZNIPRU-JTQLQIEISA-N 1 2 237.303 1.231 20 0 BDADLO CCC(=O)CC[N@@H+](CC)Cc1cn(C)nn1 ZINC000753749023 585268305 /nfs/dbraw/zinc/26/83/05/585268305.db2.gz NGQUANDJLRMDGA-UHFFFAOYSA-N 1 2 224.308 1.006 20 0 BDADLO CCC(=O)CC[N@H+](CC)Cc1cn(C)nn1 ZINC000753749023 585268306 /nfs/dbraw/zinc/26/83/06/585268306.db2.gz NGQUANDJLRMDGA-UHFFFAOYSA-N 1 2 224.308 1.006 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)C(C)(C)C ZINC000753770713 585268403 /nfs/dbraw/zinc/26/84/03/585268403.db2.gz QCINHTPRODCDSM-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(=O)C(C)(C)C ZINC000753770713 585268404 /nfs/dbraw/zinc/26/84/04/585268404.db2.gz QCINHTPRODCDSM-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)C(C)(C)C ZINC000753770711 585268866 /nfs/dbraw/zinc/26/88/66/585268866.db2.gz QCINHTPRODCDSM-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(=O)C(C)(C)C ZINC000753770711 585268867 /nfs/dbraw/zinc/26/88/67/585268867.db2.gz QCINHTPRODCDSM-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1CC/C(=C/C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000754295038 585282389 /nfs/dbraw/zinc/28/23/89/585282389.db2.gz PZYNFVZVKAAQNW-QFQXNISHSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@H]1CCC(=CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000754295038 585282390 /nfs/dbraw/zinc/28/23/90/585282390.db2.gz PZYNFVZVKAAQNW-QFQXNISHSA-N 1 2 219.288 1.772 20 0 BDADLO Clc1cc2c(nc[nH+]c2NCc2cc[nH]n2)[nH]1 ZINC000754678099 585289120 /nfs/dbraw/zinc/28/91/20/585289120.db2.gz JSFMAEKRXOHLLI-UHFFFAOYSA-N 1 2 248.677 1.947 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859219531 589020744 /nfs/dbraw/zinc/02/07/44/589020744.db2.gz APPGHZOUMHGQJK-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1ccnc(F)c1 ZINC000859219531 589020746 /nfs/dbraw/zinc/02/07/46/589020746.db2.gz APPGHZOUMHGQJK-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2CCC2)c[nH+]1 ZINC000755864207 585308888 /nfs/dbraw/zinc/30/88/88/585308888.db2.gz QXCUMFUCKSSXRL-UHFFFAOYSA-N 1 2 207.277 1.638 20 0 BDADLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C(=O)C(C)(C)C ZINC000756147412 585315240 /nfs/dbraw/zinc/31/52/40/585315240.db2.gz PTEGXGYLZDGBJK-NXEZZACHSA-N 1 2 240.347 1.153 20 0 BDADLO COC[C@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000756296023 585317249 /nfs/dbraw/zinc/31/72/49/585317249.db2.gz SCAAKLRGBMZJMB-SECBINFHSA-N 1 2 226.276 1.136 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+]Cc2cccc(Cl)c2)C1 ZINC000756827897 585323937 /nfs/dbraw/zinc/32/39/37/585323937.db2.gz SGUOQBQTOAVUBX-UHFFFAOYSA-N 1 2 237.690 1.788 20 0 BDADLO O=C1CCCN1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000756910093 585324939 /nfs/dbraw/zinc/32/49/39/585324939.db2.gz PTPIKAXHBXZKQP-UHFFFAOYSA-N 1 2 248.248 1.761 20 0 BDADLO O=C1CCCN1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000756910093 585324940 /nfs/dbraw/zinc/32/49/40/585324940.db2.gz PTPIKAXHBXZKQP-UHFFFAOYSA-N 1 2 248.248 1.761 20 0 BDADLO CC[N@H+](CC(=O)N(C)OC)Cc1occc1C ZINC000839661808 585334369 /nfs/dbraw/zinc/33/43/69/585334369.db2.gz GLYMPDPHLAVXTQ-UHFFFAOYSA-N 1 2 240.303 1.430 20 0 BDADLO CC[N@@H+](CC(=O)N(C)OC)Cc1occc1C ZINC000839661808 585334370 /nfs/dbraw/zinc/33/43/70/585334370.db2.gz GLYMPDPHLAVXTQ-UHFFFAOYSA-N 1 2 240.303 1.430 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N)nc1 ZINC000843060984 585340231 /nfs/dbraw/zinc/34/02/31/585340231.db2.gz VVGLJRYOVKJFFR-UHFFFAOYSA-N 1 2 246.314 1.901 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(N)nc1 ZINC000843060984 585340232 /nfs/dbraw/zinc/34/02/32/585340232.db2.gz VVGLJRYOVKJFFR-UHFFFAOYSA-N 1 2 246.314 1.901 20 0 BDADLO COC(=O)c1cccc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000757920129 585346883 /nfs/dbraw/zinc/34/68/83/585346883.db2.gz JCVGKZFLHBDEBR-UHFFFAOYSA-N 1 2 246.270 1.228 20 0 BDADLO COCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000758031217 585348480 /nfs/dbraw/zinc/34/84/80/585348480.db2.gz SYWNPHRUIYPSMX-UHFFFAOYSA-N 1 2 234.255 1.332 20 0 BDADLO CCC[N@H+](CC)Cn1nc2n(c1=O)CCCC2 ZINC000758304814 585353380 /nfs/dbraw/zinc/35/33/80/585353380.db2.gz AXEBOIUUNCGOLR-UHFFFAOYSA-N 1 2 238.335 1.071 20 0 BDADLO CCC[N@@H+](CC)Cn1nc2n(c1=O)CCCC2 ZINC000758304814 585353381 /nfs/dbraw/zinc/35/33/81/585353381.db2.gz AXEBOIUUNCGOLR-UHFFFAOYSA-N 1 2 238.335 1.071 20 0 BDADLO COc1ccccc1C[N@H+](CCO)CCF ZINC000759339414 585368741 /nfs/dbraw/zinc/36/87/41/585368741.db2.gz OUSXOTASFXKPQD-UHFFFAOYSA-N 1 2 227.279 1.459 20 0 BDADLO COc1ccccc1C[N@@H+](CCO)CCF ZINC000759339414 585368742 /nfs/dbraw/zinc/36/87/42/585368742.db2.gz OUSXOTASFXKPQD-UHFFFAOYSA-N 1 2 227.279 1.459 20 0 BDADLO C[C@H]1C[NH+]=C(N2CCN(CCF)CC2)S1 ZINC000759348022 585370778 /nfs/dbraw/zinc/37/07/78/585370778.db2.gz XJVAWCXVFAQEAJ-VIFPVBQESA-N 1 2 231.340 1.065 20 0 BDADLO COCCC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000759672763 585378417 /nfs/dbraw/zinc/37/84/17/585378417.db2.gz SJLCDKKLGAEGBC-UHFFFAOYSA-N 1 2 240.303 1.489 20 0 BDADLO CCCn1cc[nH+]c1CCCN(C)C(=O)OC ZINC000760624363 585394782 /nfs/dbraw/zinc/39/47/82/585394782.db2.gz YFJKKWOLZTZBQR-UHFFFAOYSA-N 1 2 239.319 1.924 20 0 BDADLO FCC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000761044507 585404026 /nfs/dbraw/zinc/40/40/26/585404026.db2.gz DXULACPLGQVFMH-UHFFFAOYSA-N 1 2 227.258 1.312 20 0 BDADLO Cc1ncc(C[N@@H+]2CCN(C)[C@@H](C)C2)s1 ZINC000761078275 585406225 /nfs/dbraw/zinc/40/62/25/585406225.db2.gz OGPDWYIGRCDURP-VIFPVBQESA-N 1 2 225.361 1.587 20 0 BDADLO Cc1ncc(C[N@H+]2CCN(C)[C@@H](C)C2)s1 ZINC000761078275 585406226 /nfs/dbraw/zinc/40/62/26/585406226.db2.gz OGPDWYIGRCDURP-VIFPVBQESA-N 1 2 225.361 1.587 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)on1 ZINC000761090341 585408004 /nfs/dbraw/zinc/40/80/04/585408004.db2.gz TYTILTNUDNWTGP-BDAKNGLRSA-N 1 2 221.260 1.016 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)on1 ZINC000761090341 585408005 /nfs/dbraw/zinc/40/80/05/585408005.db2.gz TYTILTNUDNWTGP-BDAKNGLRSA-N 1 2 221.260 1.016 20 0 BDADLO C[C@@H]1CCC(=CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000762804691 585437576 /nfs/dbraw/zinc/43/75/76/585437576.db2.gz HUYCTSGXXAOMDT-YIXGCBLDSA-N 1 2 232.283 1.894 20 0 BDADLO C[NH+]1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000763003034 585441239 /nfs/dbraw/zinc/44/12/39/585441239.db2.gz VSDHTHQEUXGMFH-UHFFFAOYSA-N 1 2 226.295 1.558 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C(F)=C1CCCC1 ZINC000763045688 585442436 /nfs/dbraw/zinc/44/24/36/585442436.db2.gz WYFCRKFCXLZUFO-UHFFFAOYSA-N 1 2 237.278 1.866 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)c(O)c1 ZINC000763107003 585443237 /nfs/dbraw/zinc/44/32/37/585443237.db2.gz BOULBTHHJCBUME-UHFFFAOYSA-N 1 2 246.266 1.754 20 0 BDADLO COc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000763116370 585443373 /nfs/dbraw/zinc/44/33/73/585443373.db2.gz RPPOMENPKYBQEL-UHFFFAOYSA-N 1 2 246.266 1.749 20 0 BDADLO Cc1ccc(C(=O)OCCCn2cc[nH+]c2)cn1 ZINC000763293472 585446080 /nfs/dbraw/zinc/44/60/80/585446080.db2.gz IBCMOMVJNWGDKD-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000763626637 585451411 /nfs/dbraw/zinc/45/14/11/585451411.db2.gz COOSXBBNFIRVDM-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)[C@H]1C ZINC000763626637 585451412 /nfs/dbraw/zinc/45/14/12/585451412.db2.gz COOSXBBNFIRVDM-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccoc2)CC[S@](=O)C1 ZINC000763652534 585451712 /nfs/dbraw/zinc/45/17/12/585451712.db2.gz OMCXIDYNYRNFAJ-BONVTDFDSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccoc2)CC[S@](=O)C1 ZINC000763652534 585451713 /nfs/dbraw/zinc/45/17/13/585451713.db2.gz OMCXIDYNYRNFAJ-BONVTDFDSA-N 1 2 227.329 1.480 20 0 BDADLO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000766038119 585496729 /nfs/dbraw/zinc/49/67/29/585496729.db2.gz HURFQLVROWCNJG-GMTAPVOTSA-N 1 2 241.331 1.484 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cccn1C ZINC000805328040 585503229 /nfs/dbraw/zinc/50/32/29/585503229.db2.gz MQELNBXKLNULEI-UHFFFAOYSA-N 1 2 246.266 1.786 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1C[C@@H]1C ZINC000805340524 585513172 /nfs/dbraw/zinc/51/31/72/585513172.db2.gz GEKZIJQTCYZOLK-WCBMZHEXSA-N 1 2 221.256 1.789 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)C1CC1 ZINC000767396232 585519070 /nfs/dbraw/zinc/51/90/70/585519070.db2.gz NYUXUAFYTXDFPS-LSYCYVAJSA-N 1 2 243.372 1.197 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)C1CC1 ZINC000767396232 585519071 /nfs/dbraw/zinc/51/90/71/585519071.db2.gz NYUXUAFYTXDFPS-LSYCYVAJSA-N 1 2 243.372 1.197 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](CCO)C1CC1 ZINC000767915191 585528055 /nfs/dbraw/zinc/52/80/55/585528055.db2.gz SMRXHLRXHQVCJM-GFCCVEGCSA-N 1 2 249.314 1.094 20 0 BDADLO COCCCO[NH+]=C(N)COC(C)(C)C ZINC000768933503 585546181 /nfs/dbraw/zinc/54/61/81/585546181.db2.gz UAXNQWYOMDMYJR-UHFFFAOYSA-N 1 2 218.297 1.336 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H](F)c1ccccc1 ZINC000769575660 585559499 /nfs/dbraw/zinc/55/94/99/585559499.db2.gz HQBYLXGAPLMDGH-NSHDSACASA-N 1 2 233.246 1.737 20 0 BDADLO Cn1nc(C[N@H+]2CC=CCC2)cc1Cl ZINC000859238520 589023369 /nfs/dbraw/zinc/02/33/69/589023369.db2.gz CVCNVLZTLQSENM-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO Cn1nc(C[N@@H+]2CC=CCC2)cc1Cl ZINC000859238520 589023371 /nfs/dbraw/zinc/02/33/71/589023371.db2.gz CVCNVLZTLQSENM-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO COC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000769752393 585562737 /nfs/dbraw/zinc/56/27/37/585562737.db2.gz NSRVKDIYUHSTTH-SECBINFHSA-N 1 2 223.276 1.366 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC000769913234 585566331 /nfs/dbraw/zinc/56/63/31/585566331.db2.gz KCGIDWHDRIPTCB-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000769913234 585566332 /nfs/dbraw/zinc/56/63/32/585566332.db2.gz KCGIDWHDRIPTCB-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770415664 585573673 /nfs/dbraw/zinc/57/36/73/585573673.db2.gz WORXINJAJHRFSW-UHFFFAOYSA-N 1 2 217.272 1.816 20 0 BDADLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC000770398950 585573904 /nfs/dbraw/zinc/57/39/04/585573904.db2.gz HJSPZCJJMXGIGD-SNVBAGLBSA-N 1 2 245.282 1.195 20 0 BDADLO CO[C@@H](C(=O)OCCn1cc[nH+]c1)C(C)C ZINC000770626418 585578049 /nfs/dbraw/zinc/57/80/49/585578049.db2.gz GITGOYJLSUEPPR-SNVBAGLBSA-N 1 2 226.276 1.097 20 0 BDADLO O=C(Nc1ccccn1)c1cccc2[nH+]ccn21 ZINC000770638943 585578576 /nfs/dbraw/zinc/57/85/76/585578576.db2.gz ABOCEGCOGODWPJ-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO CO[C@H](C)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000770921433 585584304 /nfs/dbraw/zinc/58/43/04/585584304.db2.gz DKFWFNVPSOXDBS-SNVBAGLBSA-N 1 2 248.282 1.803 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C[C@H](C)OC ZINC000805431974 585592576 /nfs/dbraw/zinc/59/25/76/585592576.db2.gz HQGLGAIPXXXFEX-VIFPVBQESA-N 1 2 239.271 1.558 20 0 BDADLO OCC[C@H]([NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000771796812 585600202 /nfs/dbraw/zinc/60/02/02/585600202.db2.gz RXMCKHUNYMVVEI-JTQLQIEISA-N 1 2 237.303 1.198 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](CO)C1CC1 ZINC000771804884 585600688 /nfs/dbraw/zinc/60/06/88/585600688.db2.gz SJEVBZBQYVTIFC-NEPJUHHUSA-N 1 2 243.347 1.325 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1(F)CCCC1 ZINC000771839935 585601973 /nfs/dbraw/zinc/60/19/73/585601973.db2.gz QTCKJWIQUCUPJQ-UHFFFAOYSA-N 1 2 239.294 1.672 20 0 BDADLO O=C(Cc1ccsc1)OCCn1cc[nH+]c1 ZINC000771869759 585602856 /nfs/dbraw/zinc/60/28/56/585602856.db2.gz YQGXZORSLNKHAF-UHFFFAOYSA-N 1 2 236.296 1.731 20 0 BDADLO CCCCO[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771935917 585605015 /nfs/dbraw/zinc/60/50/15/585605015.db2.gz FTUYKXVXELJDPE-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)c(=O)[nH]1 ZINC000771941348 585605220 /nfs/dbraw/zinc/60/52/20/585605220.db2.gz UEAUQDOOPSTNTE-UHFFFAOYSA-N 1 2 247.254 1.149 20 0 BDADLO CSCCCCC(=O)OCCn1cc[nH+]c1 ZINC000771975782 585605900 /nfs/dbraw/zinc/60/59/00/585605900.db2.gz FYQHZPSKIQJXIQ-UHFFFAOYSA-N 1 2 242.344 1.960 20 0 BDADLO O=C(CCC(F)(F)F)OCCn1cc[nH+]c1 ZINC000771982652 585606074 /nfs/dbraw/zinc/60/60/74/585606074.db2.gz XKZHMODUDHASOH-UHFFFAOYSA-N 1 2 236.193 1.769 20 0 BDADLO Cc1ccc(COC(=O)[C@H](O)C2CC2)c(C)[nH+]1 ZINC000772096006 585608546 /nfs/dbraw/zinc/60/85/46/585608546.db2.gz IENNRZRVUZWYHG-GFCCVEGCSA-N 1 2 235.283 1.513 20 0 BDADLO Cn1c[nH+]cc1COC(=O)Cc1ccco1 ZINC000772672510 585620513 /nfs/dbraw/zinc/62/05/13/585620513.db2.gz RQWZEJSQVZJESP-UHFFFAOYSA-N 1 2 220.228 1.299 20 0 BDADLO CCC/C=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811820 585624690 /nfs/dbraw/zinc/62/46/90/585624690.db2.gz IMMKJFCJLWGXME-ORAHPGNNSA-N 1 2 233.315 1.740 20 0 BDADLO CCCC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811820 585624691 /nfs/dbraw/zinc/62/46/91/585624691.db2.gz IMMKJFCJLWGXME-ORAHPGNNSA-N 1 2 233.315 1.740 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2C=CCCC2)C1 ZINC000805473600 585625479 /nfs/dbraw/zinc/62/54/79/585625479.db2.gz NPOKZEUUNRRTGT-NEPJUHHUSA-N 1 2 239.315 1.359 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2C=CCCC2)C1 ZINC000805473600 585625480 /nfs/dbraw/zinc/62/54/80/585625480.db2.gz NPOKZEUUNRRTGT-NEPJUHHUSA-N 1 2 239.315 1.359 20 0 BDADLO c1[nH]nc2c1CCC[C@H]2N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773063529 585630291 /nfs/dbraw/zinc/63/02/91/585630291.db2.gz CDIFNHOSCXGNMS-DGCLKSJQSA-N 1 2 246.358 1.613 20 0 BDADLO c1[nH]nc2c1CCC[C@H]2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000773063529 585630292 /nfs/dbraw/zinc/63/02/92/585630292.db2.gz CDIFNHOSCXGNMS-DGCLKSJQSA-N 1 2 246.358 1.613 20 0 BDADLO Cc1nc(CC[NH+]2CC(O)(C(C)C)C2)cs1 ZINC000773894405 585645791 /nfs/dbraw/zinc/64/57/91/585645791.db2.gz UDOOHNWMHSASBX-UHFFFAOYSA-N 1 2 240.372 1.697 20 0 BDADLO CC(C)(C(=O)NN1CCCCC1)c1c[nH]c[nH+]1 ZINC000774081366 585649989 /nfs/dbraw/zinc/64/99/89/585649989.db2.gz KUNBOGFCSBKXFE-UHFFFAOYSA-N 1 2 236.319 1.204 20 0 BDADLO COC[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774087571 585650061 /nfs/dbraw/zinc/65/00/61/585650061.db2.gz VEAMZOLTLFCLFD-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO COC[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774087571 585650062 /nfs/dbraw/zinc/65/00/62/585650062.db2.gz VEAMZOLTLFCLFD-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000774141119 585651425 /nfs/dbraw/zinc/65/14/25/585651425.db2.gz XEJDCGIGXJJWCB-MNOVXSKESA-N 1 2 222.288 1.755 20 0 BDADLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000774211037 585653952 /nfs/dbraw/zinc/65/39/52/585653952.db2.gz JPJCJZUTDWQVCO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000774211037 585653953 /nfs/dbraw/zinc/65/39/53/585653953.db2.gz JPJCJZUTDWQVCO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO C[C@H](C(=O)OCCCF)[NH+]1CCSCC1 ZINC000774989528 585670003 /nfs/dbraw/zinc/67/00/03/585670003.db2.gz GXRQIRIJLTYRAV-SECBINFHSA-N 1 2 235.324 1.327 20 0 BDADLO FCC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000775560549 585679445 /nfs/dbraw/zinc/67/94/45/585679445.db2.gz VXMOSUKEGIAHLA-UHFFFAOYSA-N 1 2 227.258 1.312 20 0 BDADLO CC(C)COC(=O)C[NH+]1CCC(CCO)CC1 ZINC000776581681 585701295 /nfs/dbraw/zinc/70/12/95/585701295.db2.gz HDEPWKPEKIKSKS-UHFFFAOYSA-N 1 2 243.347 1.280 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000776587107 585701880 /nfs/dbraw/zinc/70/18/80/585701880.db2.gz UDJVFFAAWCAPEC-UHFFFAOYSA-N 1 2 245.363 1.933 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000776587107 585701881 /nfs/dbraw/zinc/70/18/81/585701881.db2.gz UDJVFFAAWCAPEC-UHFFFAOYSA-N 1 2 245.363 1.933 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](Cn1cnnc1)CC2 ZINC000776757323 585704283 /nfs/dbraw/zinc/70/42/83/585704283.db2.gz NVTRMUNMQWHGPJ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccc2c(c1)C[N@H+](Cn1cnnc1)CC2 ZINC000776757323 585704284 /nfs/dbraw/zinc/70/42/84/585704284.db2.gz NVTRMUNMQWHGPJ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CN(C(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC000776960143 585707054 /nfs/dbraw/zinc/70/70/54/585707054.db2.gz JNMRDIFDTWWQHU-UHFFFAOYSA-N 1 2 229.283 1.959 20 0 BDADLO CC1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000776979518 585707128 /nfs/dbraw/zinc/70/71/28/585707128.db2.gz JPAGZKFVJBKIBF-UHFFFAOYSA-N 1 2 229.283 1.864 20 0 BDADLO Cc1ccc(COC(=O)[C@@](C)(O)C2CC2)c(C)[nH+]1 ZINC000805581386 585709750 /nfs/dbraw/zinc/70/97/50/585709750.db2.gz ZUVHCMXKANMJRZ-AWEZNQCLSA-N 1 2 249.310 1.903 20 0 BDADLO O=C1C[N@H+](Cc2ccc(CF)cc2)CCN1 ZINC000777536157 585714329 /nfs/dbraw/zinc/71/43/29/585714329.db2.gz YVYVBDZLPUSNQW-UHFFFAOYSA-N 1 2 222.263 1.088 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(CF)cc2)CCN1 ZINC000777536157 585714330 /nfs/dbraw/zinc/71/43/30/585714330.db2.gz YVYVBDZLPUSNQW-UHFFFAOYSA-N 1 2 222.263 1.088 20 0 BDADLO Cc1ncc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000778229122 585728292 /nfs/dbraw/zinc/72/82/92/585728292.db2.gz VOGZWYLTAJPZIA-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000778239481 585728917 /nfs/dbraw/zinc/72/89/17/585728917.db2.gz YPIBYLXRSCURPX-AQWBPKLESA-N 1 2 229.295 1.786 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000778239481 585728918 /nfs/dbraw/zinc/72/89/18/585728918.db2.gz YPIBYLXRSCURPX-AQWBPKLESA-N 1 2 229.295 1.786 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2CCC(F)(F)F ZINC000778246140 585729343 /nfs/dbraw/zinc/72/93/43/585729343.db2.gz QTEROGJHAGMERT-SECBINFHSA-N 1 2 237.221 1.720 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2CCC(F)(F)F ZINC000778246140 585729344 /nfs/dbraw/zinc/72/93/44/585729344.db2.gz QTEROGJHAGMERT-SECBINFHSA-N 1 2 237.221 1.720 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1ccn(C)n1 ZINC000778587296 585737793 /nfs/dbraw/zinc/73/77/93/585737793.db2.gz UFMAXFBAVRHUHU-UHFFFAOYSA-N 1 2 244.298 1.775 20 0 BDADLO CS/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094632 585745056 /nfs/dbraw/zinc/74/50/56/585745056.db2.gz DLEZFOCQHPPNKI-HMVTZJNGSA-N 1 2 237.328 1.191 20 0 BDADLO O=C(C=C1CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779095967 585745262 /nfs/dbraw/zinc/74/52/62/585745262.db2.gz NVWFFVLXGKFUPN-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC=CO1 ZINC000779217595 585747566 /nfs/dbraw/zinc/74/75/66/585747566.db2.gz QEJFDSRDUBLTCD-MNOVXSKESA-N 1 2 247.298 1.007 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC=CO1 ZINC000779217594 585747569 /nfs/dbraw/zinc/74/75/69/585747569.db2.gz QEJFDSRDUBLTCD-GHMZBOCLSA-N 1 2 247.298 1.007 20 0 BDADLO COc1ccc([NH2+][C@H](C)CCO)c(OC)c1 ZINC000779418220 585754452 /nfs/dbraw/zinc/75/44/52/585754452.db2.gz SMXJIADLWBUIKH-SECBINFHSA-N 1 2 225.288 1.887 20 0 BDADLO CCOc1ccc([NH2+][C@@H](C)CCO)cc1CO ZINC000779421942 585754643 /nfs/dbraw/zinc/75/46/43/585754643.db2.gz GNTNTYMTABCFMU-JTQLQIEISA-N 1 2 239.315 1.760 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCCn1cc[nH+]c1 ZINC000779744611 585760657 /nfs/dbraw/zinc/76/06/57/585760657.db2.gz YJGSQVBJTZLYMV-KHPPLWFESA-N 1 2 221.304 1.746 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000779777771 585762330 /nfs/dbraw/zinc/76/23/30/585762330.db2.gz UIVPXGMXRXCKLB-VIFPVBQESA-N 1 2 233.271 1.291 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+]C(C)(C)C(C)(C)O ZINC000780308902 585777431 /nfs/dbraw/zinc/77/74/31/585777431.db2.gz FBGLYHQIYGDIML-SNVBAGLBSA-N 1 2 245.363 1.857 20 0 BDADLO CN(C)c1ncc(C[N@H+](C)C/C=C\Cl)cn1 ZINC000780322964 585777875 /nfs/dbraw/zinc/77/78/75/585777875.db2.gz YSPOURHSYBFXHM-PLNGDYQASA-N 1 2 240.738 1.727 20 0 BDADLO CN(C)c1ncc(C[N@@H+](C)C/C=C\Cl)cn1 ZINC000780322964 585777876 /nfs/dbraw/zinc/77/78/76/585777876.db2.gz YSPOURHSYBFXHM-PLNGDYQASA-N 1 2 240.738 1.727 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCc1c[nH+]c[nH]1 ZINC000780946476 585786949 /nfs/dbraw/zinc/78/69/49/585786949.db2.gz AZNWILKMVVFGPI-CMDGGOBGSA-N 1 2 207.277 1.772 20 0 BDADLO CCC(C)=C(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000780946476 585786950 /nfs/dbraw/zinc/78/69/50/585786950.db2.gz AZNWILKMVVFGPI-CMDGGOBGSA-N 1 2 207.277 1.772 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1C/C=C/c1ccccc1 ZINC000782588572 585820912 /nfs/dbraw/zinc/82/09/12/585820912.db2.gz XQEIGYYRPXTANX-PPGNKHEKSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1C/C=C/c1ccccc1 ZINC000782588572 585820913 /nfs/dbraw/zinc/82/09/13/585820913.db2.gz XQEIGYYRPXTANX-PPGNKHEKSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(F)(F)F ZINC000782596246 585821229 /nfs/dbraw/zinc/82/12/29/585821229.db2.gz PBDICOPUMHUXEY-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(F)(F)F ZINC000782596246 585821230 /nfs/dbraw/zinc/82/12/30/585821230.db2.gz PBDICOPUMHUXEY-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO CC/C=C(/C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782820860 585824662 /nfs/dbraw/zinc/82/46/62/585824662.db2.gz BENYENNGEUTFSX-YHYXMXQVSA-N 1 2 233.315 1.890 20 0 BDADLO CCC/C=C\C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782822204 585824678 /nfs/dbraw/zinc/82/46/78/585824678.db2.gz JXPJHBBCZSYGBG-WAYWQWQTSA-N 1 2 233.315 1.890 20 0 BDADLO O=C(COCC1CC1)OCCCn1cc[nH+]c1 ZINC000782898363 585825654 /nfs/dbraw/zinc/82/56/54/585825654.db2.gz KZEBDIHFQBIHEC-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO COCCCC(=O)OCCCn1cc[nH+]c1 ZINC000783028056 585827217 /nfs/dbraw/zinc/82/72/17/585827217.db2.gz JVJAZFAVLZFOKI-UHFFFAOYSA-N 1 2 226.276 1.243 20 0 BDADLO Cn1c[nH+]cc1CSCCSCCO ZINC000783605273 585838286 /nfs/dbraw/zinc/83/82/86/585838286.db2.gz RMKJDJZRETYKHZ-UHFFFAOYSA-N 1 2 232.374 1.379 20 0 BDADLO CCC[C@H](O)CC(=O)OCCCn1cc[nH+]c1 ZINC000783705535 585840602 /nfs/dbraw/zinc/84/06/02/585840602.db2.gz ASAWNYYAFQYJGA-NSHDSACASA-N 1 2 240.303 1.368 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CCF ZINC000784356782 585856970 /nfs/dbraw/zinc/85/69/70/585856970.db2.gz TYNIPCCJSWJYRO-UWVGGRQHSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CCF ZINC000784356782 585856971 /nfs/dbraw/zinc/85/69/71/585856971.db2.gz TYNIPCCJSWJYRO-UWVGGRQHSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CCF ZINC000784356784 585857113 /nfs/dbraw/zinc/85/71/13/585857113.db2.gz TYNIPCCJSWJYRO-ZJUUUORDSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CCF ZINC000784356784 585857114 /nfs/dbraw/zinc/85/71/14/585857114.db2.gz TYNIPCCJSWJYRO-ZJUUUORDSA-N 1 2 215.268 1.026 20 0 BDADLO CC(C)[C@@H](F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000784365465 585857345 /nfs/dbraw/zinc/85/73/45/585857345.db2.gz KYSYJAMPJYHQNU-LLVKDONJSA-N 1 2 228.311 1.287 20 0 BDADLO CCc1nc(C(=O)OCCCn2cc[nH+]c2)co1 ZINC000784781922 585866124 /nfs/dbraw/zinc/86/61/24/585866124.db2.gz IPNNJISMEGDLSR-UHFFFAOYSA-N 1 2 249.270 1.681 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(C)CCC1 ZINC000784906593 585868335 /nfs/dbraw/zinc/86/83/35/585868335.db2.gz QDWAJDRUPBSANX-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCC1CC1 ZINC000784918205 585868472 /nfs/dbraw/zinc/86/84/72/585868472.db2.gz JMWGZZIUSKMPAE-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CC/C=C(\C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784922435 585868592 /nfs/dbraw/zinc/86/85/92/585868592.db2.gz SSDOKXFGXSJNKJ-JXDHDYMSSA-N 1 2 241.331 1.607 20 0 BDADLO C/C=C/C=C/C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784920356 585868630 /nfs/dbraw/zinc/86/86/30/585868630.db2.gz GSDQNDDTWZFHAQ-KANVGOIPSA-N 1 2 239.315 1.383 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OCCC1(O)CC1 ZINC000785518836 585874517 /nfs/dbraw/zinc/87/45/17/585874517.db2.gz VRRZWBTULVKRBZ-SNVBAGLBSA-N 1 2 244.335 1.461 20 0 BDADLO Cc1ccc(COC(=O)C2COC2)c(C)[nH+]1 ZINC000785774278 585880678 /nfs/dbraw/zinc/88/06/78/585880678.db2.gz UYZOTDIHOQSCLX-UHFFFAOYSA-N 1 2 221.256 1.388 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCF ZINC000786441382 585891548 /nfs/dbraw/zinc/89/15/48/585891548.db2.gz OWAIUDWYICQMNS-UTLUCORTSA-N 1 2 215.268 1.229 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCF ZINC000786441382 585891549 /nfs/dbraw/zinc/89/15/49/585891549.db2.gz OWAIUDWYICQMNS-UTLUCORTSA-N 1 2 215.268 1.229 20 0 BDADLO CC(C)c1nc(N2CC(O)(C(C)C)C2)cc[nH+]1 ZINC000786804457 585897448 /nfs/dbraw/zinc/89/74/48/585897448.db2.gz ZZFQXBZOKIAPPJ-UHFFFAOYSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)C1(O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000786803772 585897520 /nfs/dbraw/zinc/89/75/20/585897520.db2.gz PZROCHXYVQYDIC-UHFFFAOYSA-N 1 2 233.315 1.561 20 0 BDADLO O=C1C[N@H+](Cc2cc(Cl)cs2)CCCN1 ZINC000787131456 585901864 /nfs/dbraw/zinc/90/18/64/585901864.db2.gz CTXBEOOUBAAXGY-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO O=C1C[N@@H+](Cc2cc(Cl)cs2)CCCN1 ZINC000787131456 585901865 /nfs/dbraw/zinc/90/18/65/585901865.db2.gz CTXBEOOUBAAXGY-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000787390008 585908379 /nfs/dbraw/zinc/90/83/79/585908379.db2.gz FQKFEZJLRNHSBX-SNVBAGLBSA-N 1 2 242.388 1.435 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000787390008 585908380 /nfs/dbraw/zinc/90/83/80/585908380.db2.gz FQKFEZJLRNHSBX-SNVBAGLBSA-N 1 2 242.388 1.435 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000787965346 585918000 /nfs/dbraw/zinc/91/80/00/585918000.db2.gz YNQADJNXDGVTOL-VHSXEESVSA-N 1 2 215.293 1.093 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000789577087 585944260 /nfs/dbraw/zinc/94/42/60/585944260.db2.gz MUYSWIOBOGQYQC-SRVKXCTJSA-N 1 2 243.347 1.731 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000789608531 585946361 /nfs/dbraw/zinc/94/63/61/585946361.db2.gz KJMWHVLBRLTTBM-RKDXNWHRSA-N 1 2 216.281 1.089 20 0 BDADLO Cc1noc(C)c1C(=O)OCCc1c[nH+]cn1C ZINC000789771106 585949497 /nfs/dbraw/zinc/94/94/97/585949497.db2.gz FGCUPKFNTFVLEP-UHFFFAOYSA-N 1 2 249.270 1.424 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1CC=CC1 ZINC000789772385 585949520 /nfs/dbraw/zinc/94/95/20/585949520.db2.gz NULVQEMWLRQUNK-UHFFFAOYSA-N 1 2 220.272 1.472 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1C=CCC1 ZINC000789777653 585949709 /nfs/dbraw/zinc/94/97/09/585949709.db2.gz UNDLYPRBHRZDLN-LLVKDONJSA-N 1 2 234.299 1.862 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1CCCC1 ZINC000789777682 585949792 /nfs/dbraw/zinc/94/97/92/585949792.db2.gz UXBGQUXYTQUOBI-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO Cc1n[nH]nc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000789980295 585955364 /nfs/dbraw/zinc/95/53/64/585955364.db2.gz PRZARYAACCEXMA-UHFFFAOYSA-N 1 2 231.259 1.377 20 0 BDADLO C/C=C(\C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790133675 585958557 /nfs/dbraw/zinc/95/85/57/585958557.db2.gz YDXLVVQRWYWNPI-JXDHDYMSSA-N 1 2 240.347 1.132 20 0 BDADLO Nc1cc(COC(=O)C[C@@H]2CCCO2)cc[nH+]1 ZINC000791728322 585986788 /nfs/dbraw/zinc/98/67/88/585986788.db2.gz GVJVMRBBRFTZJH-JTQLQIEISA-N 1 2 236.271 1.276 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792091601 585995586 /nfs/dbraw/zinc/99/55/86/585995586.db2.gz UJUHMPHRXYBILU-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1CC(F)(F)C1 ZINC000793251828 586015173 /nfs/dbraw/zinc/01/51/73/586015173.db2.gz ITLZHFJKYQUQMW-UHFFFAOYSA-N 1 2 244.241 1.551 20 0 BDADLO COc1cccc(C[NH2+]Cc2cccnc2F)n1 ZINC000793283993 586015900 /nfs/dbraw/zinc/01/59/00/586015900.db2.gz DGSRZGWSZABJPB-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO O=C(CC1OCCO1)Nc1ccc2[nH+]ccn2c1 ZINC000793489704 586020785 /nfs/dbraw/zinc/02/07/85/586020785.db2.gz ASWFSHZCJWMZKN-UHFFFAOYSA-N 1 2 247.254 1.036 20 0 BDADLO CC/C(C)=C(/C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000793491085 586020838 /nfs/dbraw/zinc/02/08/38/586020838.db2.gz OXLPODPPADXGIP-KHPPLWFESA-N 1 2 233.315 1.972 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCCOC1 ZINC000793600999 586024068 /nfs/dbraw/zinc/02/40/68/586024068.db2.gz WOUIIKUEWCDAIA-JTQLQIEISA-N 1 2 237.303 1.151 20 0 BDADLO CC[C@H]1CC[N@@H+]1CN1C(=O)c2ccccc2C1=O ZINC000793819201 586027033 /nfs/dbraw/zinc/02/70/33/586027033.db2.gz HGTMHURCHPOSPJ-JTQLQIEISA-N 1 2 244.294 1.724 20 0 BDADLO CC[C@H]1CC[N@H+]1CN1C(=O)c2ccccc2C1=O ZINC000793819201 586027034 /nfs/dbraw/zinc/02/70/34/586027034.db2.gz HGTMHURCHPOSPJ-JTQLQIEISA-N 1 2 244.294 1.724 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793885911 586028553 /nfs/dbraw/zinc/02/85/53/586028553.db2.gz GENVAQOVKKPUHE-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793885911 586028554 /nfs/dbraw/zinc/02/85/54/586028554.db2.gz GENVAQOVKKPUHE-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC(F)(F)CC1 ZINC000794289628 586037116 /nfs/dbraw/zinc/03/71/16/586037116.db2.gz LIOAZCODOZJUDI-UHFFFAOYSA-N 1 2 243.257 1.531 20 0 BDADLO CC[C@@](C)([NH2+]CCC1OCCCO1)C(=O)OC ZINC000794463429 586040105 /nfs/dbraw/zinc/04/01/05/586040105.db2.gz SRYUMCYMSBAURI-GFCCVEGCSA-N 1 2 245.319 1.071 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCCO1 ZINC000794519215 586041657 /nfs/dbraw/zinc/04/16/57/586041657.db2.gz DQDIGKMOWMTLQN-SECBINFHSA-N 1 2 216.281 1.089 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OC[C@@H]1CCCO1 ZINC000794521442 586041685 /nfs/dbraw/zinc/04/16/85/586041685.db2.gz CFUYEMMEDGFTNS-QWRGUYRKSA-N 1 2 244.335 1.725 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cn2cc(Cl)cn2)CC1 ZINC000794673723 586046293 /nfs/dbraw/zinc/04/62/93/586046293.db2.gz UQLDGFLDDCRMPJ-NSHDSACASA-N 1 2 243.738 1.731 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cn2cc(Cl)cn2)CC1 ZINC000794673723 586046294 /nfs/dbraw/zinc/04/62/94/586046294.db2.gz UQLDGFLDDCRMPJ-NSHDSACASA-N 1 2 243.738 1.731 20 0 BDADLO FC1(F)CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000794694280 586047138 /nfs/dbraw/zinc/04/71/38/586047138.db2.gz MMVXFRJZIGHZKI-UHFFFAOYSA-N 1 2 233.287 1.860 20 0 BDADLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCF ZINC000794753014 586048310 /nfs/dbraw/zinc/04/83/10/586048310.db2.gz PTANKYYLFMTCAD-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCF ZINC000794753014 586048311 /nfs/dbraw/zinc/04/83/11/586048311.db2.gz PTANKYYLFMTCAD-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO O=C1C[C@@H](C(F)F)CN1C[N@H+]1CC=CCC1 ZINC000795443073 586078881 /nfs/dbraw/zinc/07/88/81/586078881.db2.gz DZLCCAHDTSQGPB-SECBINFHSA-N 1 2 230.258 1.319 20 0 BDADLO O=C1C[C@@H](C(F)F)CN1C[N@@H+]1CC=CCC1 ZINC000795443073 586078882 /nfs/dbraw/zinc/07/88/82/586078882.db2.gz DZLCCAHDTSQGPB-SECBINFHSA-N 1 2 230.258 1.319 20 0 BDADLO O=C1C[C@H](C(F)F)CN1C[N@H+]1CC=CCC1 ZINC000795443075 586079017 /nfs/dbraw/zinc/07/90/17/586079017.db2.gz DZLCCAHDTSQGPB-VIFPVBQESA-N 1 2 230.258 1.319 20 0 BDADLO O=C1C[C@H](C(F)F)CN1C[N@@H+]1CC=CCC1 ZINC000795443075 586079019 /nfs/dbraw/zinc/07/90/19/586079019.db2.gz DZLCCAHDTSQGPB-VIFPVBQESA-N 1 2 230.258 1.319 20 0 BDADLO Fc1cccc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000859306569 589029401 /nfs/dbraw/zinc/02/94/01/589029401.db2.gz YHUUTBUHQUJFSO-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO Cc1cnc(CN2CCc3[nH+]c[nH]c3C2)cn1 ZINC000859308907 589029892 /nfs/dbraw/zinc/02/98/92/589029892.db2.gz XJIXFRGUPPBYRK-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cn2cccnc2=S)C1 ZINC000795673306 586090745 /nfs/dbraw/zinc/09/07/45/586090745.db2.gz AEQJUIIKACFYFI-AOOOYVTPSA-N 1 2 239.344 1.679 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cccnc2=S)C1 ZINC000795673306 586090746 /nfs/dbraw/zinc/09/07/46/586090746.db2.gz AEQJUIIKACFYFI-AOOOYVTPSA-N 1 2 239.344 1.679 20 0 BDADLO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795699726 586090812 /nfs/dbraw/zinc/09/08/12/586090812.db2.gz PKYAOCRSXYGVFJ-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795699726 586090813 /nfs/dbraw/zinc/09/08/13/586090813.db2.gz PKYAOCRSXYGVFJ-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cn1cccnc1=S ZINC000795749595 586091681 /nfs/dbraw/zinc/09/16/81/586091681.db2.gz QLQHBVKWQVINEP-SECBINFHSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cn1cccnc1=S ZINC000795749595 586091682 /nfs/dbraw/zinc/09/16/82/586091682.db2.gz QLQHBVKWQVINEP-SECBINFHSA-N 1 2 227.333 1.537 20 0 BDADLO Cl/C=C\C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796340333 586101377 /nfs/dbraw/zinc/10/13/77/586101377.db2.gz KNAVHYULWUIJHP-ADAMHKFESA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C\C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796340333 586101378 /nfs/dbraw/zinc/10/13/78/586101378.db2.gz KNAVHYULWUIJHP-ADAMHKFESA-N 1 2 231.723 1.619 20 0 BDADLO O=C(C[NH+]1CCC(F)(F)CC1)NCC1CC1 ZINC000796542913 586106784 /nfs/dbraw/zinc/10/67/84/586106784.db2.gz LGDGRMYOKGLPTL-UHFFFAOYSA-N 1 2 232.274 1.244 20 0 BDADLO CCC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000796585273 586107760 /nfs/dbraw/zinc/10/77/60/586107760.db2.gz VEZNKYCZYGIOIW-SECBINFHSA-N 1 2 235.274 1.712 20 0 BDADLO CCC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000796585273 586107761 /nfs/dbraw/zinc/10/77/61/586107761.db2.gz VEZNKYCZYGIOIW-SECBINFHSA-N 1 2 235.274 1.712 20 0 BDADLO CC(=O)CC[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000796670747 586109756 /nfs/dbraw/zinc/10/97/56/586109756.db2.gz UCFCXCPYNMEHTH-NSHDSACASA-N 1 2 237.303 1.884 20 0 BDADLO CC(=O)CC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000796670747 586109757 /nfs/dbraw/zinc/10/97/57/586109757.db2.gz UCFCXCPYNMEHTH-NSHDSACASA-N 1 2 237.303 1.884 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+]2CCC(=O)C2CC2)n1 ZINC000796695277 586110142 /nfs/dbraw/zinc/11/01/42/586110142.db2.gz OKLMFTDNDSZFKJ-LLVKDONJSA-N 1 2 249.314 1.884 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+]2CCC(=O)C2CC2)n1 ZINC000796695277 586110143 /nfs/dbraw/zinc/11/01/43/586110143.db2.gz OKLMFTDNDSZFKJ-LLVKDONJSA-N 1 2 249.314 1.884 20 0 BDADLO CSCCONC(=O)Nc1cc[nH+]cc1C ZINC000797639315 586129641 /nfs/dbraw/zinc/12/96/41/586129641.db2.gz SCEVDWKGRXQUPY-UHFFFAOYSA-N 1 2 241.316 1.228 20 0 BDADLO O=C(C[C@@H]1CCC(F)(F)C1)NCc1c[nH+]c[nH]1 ZINC000797881171 586133633 /nfs/dbraw/zinc/13/36/33/586133633.db2.gz OQZNQPCIRAIPEW-QMMMGPOBSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(C[C@@H]1CCC(F)(F)C1)NCc1c[nH]c[nH+]1 ZINC000797881171 586133634 /nfs/dbraw/zinc/13/36/34/586133634.db2.gz OQZNQPCIRAIPEW-QMMMGPOBSA-N 1 2 243.257 1.851 20 0 BDADLO CCONC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000798198076 586140342 /nfs/dbraw/zinc/14/03/42/586140342.db2.gz LREMWVUQFLHKBR-UHFFFAOYSA-N 1 2 220.232 1.407 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798964107 586154214 /nfs/dbraw/zinc/15/42/14/586154214.db2.gz HWOOIARICCDGOR-JTQLQIEISA-N 1 2 246.339 1.923 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798964107 586154215 /nfs/dbraw/zinc/15/42/15/586154215.db2.gz HWOOIARICCDGOR-JTQLQIEISA-N 1 2 246.339 1.923 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cn1cnnc1 ZINC000799147287 586161821 /nfs/dbraw/zinc/16/18/21/586161821.db2.gz FNPOERIBSWEXIF-GFCCVEGCSA-N 1 2 246.318 1.196 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@H+]1Cn1cnnc1 ZINC000799147287 586161822 /nfs/dbraw/zinc/16/18/22/586161822.db2.gz FNPOERIBSWEXIF-GFCCVEGCSA-N 1 2 246.318 1.196 20 0 BDADLO CC[C@@H]1C[N@H+](Cn2ccsc2=O)CCCO1 ZINC000799161811 586163282 /nfs/dbraw/zinc/16/32/82/586163282.db2.gz DRFONNVFDLUPKT-SNVBAGLBSA-N 1 2 242.344 1.368 20 0 BDADLO CC[C@@H]1C[N@@H+](Cn2ccsc2=O)CCCO1 ZINC000799161811 586163284 /nfs/dbraw/zinc/16/32/84/586163284.db2.gz DRFONNVFDLUPKT-SNVBAGLBSA-N 1 2 242.344 1.368 20 0 BDADLO CN(Cc1cc(Cl)n(C)n1)Cc1c[nH+]c[nH]1 ZINC000859342280 589032247 /nfs/dbraw/zinc/03/22/47/589032247.db2.gz HGIITDKBTBGIQU-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CN(Cc1cc(Cl)n(C)n1)Cc1c[nH]c[nH+]1 ZINC000859342280 589032249 /nfs/dbraw/zinc/03/22/49/589032249.db2.gz HGIITDKBTBGIQU-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000800307332 586210856 /nfs/dbraw/zinc/21/08/56/586210856.db2.gz WCNDMBBJMJVMQM-GMTAPVOTSA-N 1 2 238.287 1.240 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](C(F)F)C1 ZINC000801559762 586262851 /nfs/dbraw/zinc/26/28/51/586262851.db2.gz LRHSNWSBQYDHKK-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801564271 586263283 /nfs/dbraw/zinc/26/32/83/586263283.db2.gz YGDIUTFIAHMDBX-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801564271 586263286 /nfs/dbraw/zinc/26/32/86/586263286.db2.gz YGDIUTFIAHMDBX-NSHDSACASA-N 1 2 242.269 1.856 20 0 BDADLO CCC(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801567602 586264412 /nfs/dbraw/zinc/26/44/12/586264412.db2.gz UZKAOVHNJYOFJX-VIFPVBQESA-N 1 2 221.247 1.322 20 0 BDADLO CCC(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801567602 586264414 /nfs/dbraw/zinc/26/44/14/586264414.db2.gz UZKAOVHNJYOFJX-VIFPVBQESA-N 1 2 221.247 1.322 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCC(C)(C)C2=O)[C@H](C)CO1 ZINC000839956970 586294131 /nfs/dbraw/zinc/29/41/31/586294131.db2.gz AQKGJCKEHNMPJH-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCC(C)(C)C2=O)[C@H](C)CO1 ZINC000839956970 586294134 /nfs/dbraw/zinc/29/41/34/586294134.db2.gz AQKGJCKEHNMPJH-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@](C)(OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802232900 586297207 /nfs/dbraw/zinc/29/72/07/586297207.db2.gz LQIPVWDWYVPQCW-PWSUYJOCSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@](C)(OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802232900 586297209 /nfs/dbraw/zinc/29/72/09/586297209.db2.gz LQIPVWDWYVPQCW-PWSUYJOCSA-N 1 2 247.310 1.389 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCSC1 ZINC000802239069 586298648 /nfs/dbraw/zinc/29/86/48/586298648.db2.gz RVWKLRWPFLEZAC-NXEZZACHSA-N 1 2 247.335 1.327 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCSC1 ZINC000802239069 586298650 /nfs/dbraw/zinc/29/86/50/586298650.db2.gz RVWKLRWPFLEZAC-NXEZZACHSA-N 1 2 247.335 1.327 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCC(C)(C)C2=O)CCO1 ZINC000839960494 586300213 /nfs/dbraw/zinc/30/02/13/586300213.db2.gz QMDHSDQVMKTECM-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCC(C)(C)C2=O)CCO1 ZINC000839960494 586300216 /nfs/dbraw/zinc/30/02/16/586300216.db2.gz QMDHSDQVMKTECM-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO O=C1[C@@H]2CCC[C@H]2CN1C[NH+]1CCSCC1 ZINC000839965639 586304673 /nfs/dbraw/zinc/30/46/73/586304673.db2.gz ONXFUMGFZJFMND-WDEREUQCSA-N 1 2 240.372 1.251 20 0 BDADLO Cn1ccc(C(=O)OCCCc2[nH+]ccn2C)c1 ZINC000802787197 586314419 /nfs/dbraw/zinc/31/44/19/586314419.db2.gz BOXAUTXOACUYNZ-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO CC[C@@H](OC)C(=O)OCCCc1[nH+]ccn1C ZINC000802787241 586314519 /nfs/dbraw/zinc/31/45/19/586314519.db2.gz CQPFPMZAVITMOK-SNVBAGLBSA-N 1 2 240.303 1.321 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)C1(C)CC1)[NH+](C)C ZINC000803497037 586362040 /nfs/dbraw/zinc/36/20/40/586362040.db2.gz KJIGUDGWEFBKBV-NSHDSACASA-N 1 2 241.331 1.485 20 0 BDADLO CCC(=O)CCCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803494253 586362240 /nfs/dbraw/zinc/36/22/40/586362240.db2.gz AIHJOLDPXPHPJK-LBPRGKRZSA-N 1 2 243.347 1.875 20 0 BDADLO CC1=CC[N@H+](CN2C(=O)CC3(CCC3)C2=O)CC1 ZINC000840037547 586387141 /nfs/dbraw/zinc/38/71/41/586387141.db2.gz RLQATLJHXMQAKW-UHFFFAOYSA-N 1 2 248.326 1.525 20 0 BDADLO CC1=CC[N@@H+](CN2C(=O)CC3(CCC3)C2=O)CC1 ZINC000840037547 586387143 /nfs/dbraw/zinc/38/71/43/586387143.db2.gz RLQATLJHXMQAKW-UHFFFAOYSA-N 1 2 248.326 1.525 20 0 BDADLO C[C@H]1CC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@H]1F ZINC000840039503 586390185 /nfs/dbraw/zinc/39/01/85/586390185.db2.gz AHVSTHBWXWTYBB-QCNOEVLYSA-N 1 2 240.322 1.635 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@H]1F ZINC000840039503 586390188 /nfs/dbraw/zinc/39/01/88/586390188.db2.gz AHVSTHBWXWTYBB-QCNOEVLYSA-N 1 2 240.322 1.635 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804333914 586391009 /nfs/dbraw/zinc/39/10/09/586391009.db2.gz SKASQOSEDBMMHR-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(F)(F)F)[C@H](C)C1 ZINC000804381117 586393427 /nfs/dbraw/zinc/39/34/27/586393427.db2.gz KSXONOHQYLFHLP-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(F)(F)F)[C@H](C)C1 ZINC000804381117 586393428 /nfs/dbraw/zinc/39/34/28/586393428.db2.gz KSXONOHQYLFHLP-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO CC(C)COC(=O)C[NH+](C1CC1)C1CC1 ZINC000859627312 589050373 /nfs/dbraw/zinc/05/03/73/589050373.db2.gz LPTNAFJVNLFAPD-UHFFFAOYSA-N 1 2 211.305 1.812 20 0 BDADLO CC[NH2+]Cc1noc(CCc2cscn2)n1 ZINC000843145005 586436875 /nfs/dbraw/zinc/43/68/75/586436875.db2.gz AQBOZXADXICCHC-UHFFFAOYSA-N 1 2 238.316 1.421 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](F)C2)C1 ZINC000840105381 586447376 /nfs/dbraw/zinc/44/73/76/586447376.db2.gz YCOHWHPUDPLVBL-QWRGUYRKSA-N 1 2 228.311 1.636 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@H+]2CC[C@H](F)C2)C1 ZINC000840105381 586447378 /nfs/dbraw/zinc/44/73/78/586447378.db2.gz YCOHWHPUDPLVBL-QWRGUYRKSA-N 1 2 228.311 1.636 20 0 BDADLO COc1cc[nH+]cc1Cn1nnnc1C(C)C ZINC000808253329 586468557 /nfs/dbraw/zinc/46/85/57/586468557.db2.gz PWZOSRJSMLMRJL-UHFFFAOYSA-N 1 2 233.275 1.248 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(F)F ZINC000808453761 586472855 /nfs/dbraw/zinc/47/28/55/586472855.db2.gz OFNNZWUIBFVYPI-UHFFFAOYSA-N 1 2 217.219 1.034 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000808754185 586487969 /nfs/dbraw/zinc/48/79/69/586487969.db2.gz HKRPSENNQHNOHY-BDJLRTHQSA-N 1 2 245.388 1.445 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000808754185 586487971 /nfs/dbraw/zinc/48/79/71/586487971.db2.gz HKRPSENNQHNOHY-BDJLRTHQSA-N 1 2 245.388 1.445 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2c1COC2=O ZINC000809201570 586501370 /nfs/dbraw/zinc/50/13/70/586501370.db2.gz ZYICWFQCSCLAPB-UHFFFAOYSA-N 1 2 243.266 1.703 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000809744759 586516376 /nfs/dbraw/zinc/51/63/76/586516376.db2.gz BORALQFSWRGCIP-UHFFFAOYSA-N 1 2 235.291 1.445 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(F)n1 ZINC000809891530 586521982 /nfs/dbraw/zinc/52/19/82/586521982.db2.gz VHTQNOLIMGQTEM-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO C[C@H]1CN(C(=O)c2conc2C2CC2)CC[N@@H+]1C ZINC000810442625 586539451 /nfs/dbraw/zinc/53/94/51/586539451.db2.gz ZJVJOQGVPMZQSG-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1CN(C(=O)c2conc2C2CC2)CC[N@H+]1C ZINC000810442625 586539452 /nfs/dbraw/zinc/53/94/52/586539452.db2.gz ZJVJOQGVPMZQSG-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO COCC1(CO[NH+]=C(N)[C@@H]2CCCO2)CCC1 ZINC000812306806 586573114 /nfs/dbraw/zinc/57/31/14/586573114.db2.gz GFBZKSCAGDQEGB-JTQLQIEISA-N 1 2 242.319 1.481 20 0 BDADLO c1cc(CNc2cc(NC3CC3)[nH+]cn2)no1 ZINC000840267087 586583688 /nfs/dbraw/zinc/58/36/88/586583688.db2.gz BWARPEQAOKLONM-UHFFFAOYSA-N 1 2 231.259 1.651 20 0 BDADLO c1cc(CNc2cc(NC3CC3)nc[nH+]2)no1 ZINC000840267087 586583689 /nfs/dbraw/zinc/58/36/89/586583689.db2.gz BWARPEQAOKLONM-UHFFFAOYSA-N 1 2 231.259 1.651 20 0 BDADLO CC[C@@H](C)CONC(=O)NCc1[nH+]ccn1C ZINC000813628759 586604690 /nfs/dbraw/zinc/60/46/90/586604690.db2.gz RENVFPCIDQZUGY-SECBINFHSA-N 1 2 240.307 1.197 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)[C@H]1CC(C)(C)OC1=O ZINC000814179646 586615808 /nfs/dbraw/zinc/61/58/08/586615808.db2.gz FSCBLYNHXJYFBO-LBPRGKRZSA-N 1 2 249.310 1.918 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)[C@H]1CC(C)(C)OC1=O ZINC000814179646 586615809 /nfs/dbraw/zinc/61/58/09/586615809.db2.gz FSCBLYNHXJYFBO-LBPRGKRZSA-N 1 2 249.310 1.918 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cccc(=O)[nH]1 ZINC000814476622 586622610 /nfs/dbraw/zinc/62/26/10/586622610.db2.gz ZEMHEFYMQWWVGF-UHFFFAOYSA-N 1 2 247.254 1.231 20 0 BDADLO Cc1cc(N2CCC3(CC2)OCCCO3)nc[nH+]1 ZINC000814921636 586651583 /nfs/dbraw/zinc/65/15/83/586651583.db2.gz VTYFCRPZBVMXJU-UHFFFAOYSA-N 1 2 249.314 1.518 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(F)nc1 ZINC000816637080 586746020 /nfs/dbraw/zinc/74/60/20/586746020.db2.gz RHZNMEXSNCQBQG-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccc(F)nc1 ZINC000816637080 586746022 /nfs/dbraw/zinc/74/60/22/586746022.db2.gz RHZNMEXSNCQBQG-JTQLQIEISA-N 1 2 210.252 1.441 20 0 BDADLO Cn1nc(C[N@H+](C)CCF)c2ccccc21 ZINC000816639801 586746567 /nfs/dbraw/zinc/74/65/67/586746567.db2.gz GONNHRGCRIGCJY-UHFFFAOYSA-N 1 2 221.279 1.975 20 0 BDADLO Cn1nc(C[N@@H+](C)CCF)c2ccccc21 ZINC000816639801 586746569 /nfs/dbraw/zinc/74/65/69/586746569.db2.gz GONNHRGCRIGCJY-UHFFFAOYSA-N 1 2 221.279 1.975 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc2c(c1)OCO2 ZINC000816807690 586764565 /nfs/dbraw/zinc/76/45/65/586764565.db2.gz OCRPFANJUDBELM-UHFFFAOYSA-N 1 2 245.238 1.320 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCOc1ccccc1 ZINC000816806966 586764811 /nfs/dbraw/zinc/76/48/11/586764811.db2.gz SPHNWMMGRZKDBN-UHFFFAOYSA-N 1 2 245.282 1.147 20 0 BDADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816811214 586765282 /nfs/dbraw/zinc/76/52/82/586765282.db2.gz QIVPHLDBVAGJLC-UHFFFAOYSA-N 1 2 215.256 1.899 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccn1 ZINC000816834311 586766787 /nfs/dbraw/zinc/76/67/87/586766787.db2.gz NJNJEOVMDALVNH-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC(C1CC1)C1CC1 ZINC000816843412 586767685 /nfs/dbraw/zinc/76/76/85/586767685.db2.gz AZIUOBCGXNLSGF-UHFFFAOYSA-N 1 2 219.288 1.257 20 0 BDADLO CONC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816846079 586768227 /nfs/dbraw/zinc/76/82/27/586768227.db2.gz NRINASZVZNXRIV-LBPRGKRZSA-N 1 2 234.299 1.186 20 0 BDADLO CONC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816846079 586768229 /nfs/dbraw/zinc/76/82/29/586768229.db2.gz NRINASZVZNXRIV-LBPRGKRZSA-N 1 2 234.299 1.186 20 0 BDADLO CONC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000816846344 586768419 /nfs/dbraw/zinc/76/84/19/586768419.db2.gz XRPPCCPLUAUZBZ-ZDUSSCGKSA-N 1 2 248.326 1.544 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(F)cn1 ZINC000816890843 586769582 /nfs/dbraw/zinc/76/95/82/586769582.db2.gz ZZNPXOCIJLOWNW-UHFFFAOYSA-N 1 2 220.207 1.125 20 0 BDADLO C[C@@H](c1cccnc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816907238 586770364 /nfs/dbraw/zinc/77/03/64/586770364.db2.gz LWGJFCAWEXKHLA-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000816938178 586771891 /nfs/dbraw/zinc/77/18/91/586771891.db2.gz TUMAFVHXFXLSSL-WDEREUQCSA-N 1 2 233.315 1.743 20 0 BDADLO CC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000816945217 586772614 /nfs/dbraw/zinc/77/26/14/586772614.db2.gz YTCNAQRXCNFPQI-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000817280458 586792197 /nfs/dbraw/zinc/79/21/97/586792197.db2.gz GUTXSOFUPYGZCN-OTOXVQDCSA-N 1 2 237.130 1.516 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000817280458 586792199 /nfs/dbraw/zinc/79/21/99/586792199.db2.gz GUTXSOFUPYGZCN-OTOXVQDCSA-N 1 2 237.130 1.516 20 0 BDADLO COC[C@@H]1CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000817816011 586829939 /nfs/dbraw/zinc/82/99/39/586829939.db2.gz WLOQHWOQMOXNCP-JTQLQIEISA-N 1 2 245.282 1.195 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000818230231 586880751 /nfs/dbraw/zinc/88/07/51/586880751.db2.gz ONSMZFOYLKVLEM-CHWSQXEVSA-N 1 2 246.289 1.542 20 0 BDADLO CCn1nc(C)c(CN[C@@H](C)c2[nH]cc[nH+]2)n1 ZINC000818345820 586887696 /nfs/dbraw/zinc/88/76/96/586887696.db2.gz PNTCFYRJIGEVGP-VIFPVBQESA-N 1 2 234.307 1.180 20 0 BDADLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC000818472252 586893643 /nfs/dbraw/zinc/89/36/43/586893643.db2.gz JPRWIQGHSXPUQW-NXEZZACHSA-N 1 2 229.283 1.815 20 0 BDADLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H](C)CO ZINC000818633925 586909056 /nfs/dbraw/zinc/90/90/56/586909056.db2.gz HVSPENTWUYALPP-JTQLQIEISA-N 1 2 247.298 1.177 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCOC(=O)N2)c(C)[nH+]1 ZINC000859993351 589074957 /nfs/dbraw/zinc/07/49/57/589074957.db2.gz FJRKCIKRTZPENB-SNVBAGLBSA-N 1 2 249.270 1.135 20 0 BDADLO Cc1cccn2c(C[NH2+][C@@H](C)C(=O)[O-])c[nH+]c12 ZINC000818963473 586918503 /nfs/dbraw/zinc/91/85/03/586918503.db2.gz CUNYPSXZDCORAQ-VIFPVBQESA-N 1 2 233.271 1.205 20 0 BDADLO COc1cc[nH+]cc1NC(=O)/C=C\[C@H]1CCCO1 ZINC000819203358 586937654 /nfs/dbraw/zinc/93/76/54/586937654.db2.gz XKLPIKHHLVZEJA-UMCURTJPSA-N 1 2 248.282 1.764 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nnnn1C)c1ccns1 ZINC000860057836 589077791 /nfs/dbraw/zinc/07/77/91/589077791.db2.gz BSQDJZVDSZPDKK-BQBZGAKWSA-N 1 2 238.320 1.078 20 0 BDADLO CO[C@H](C)CCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819774954 586992353 /nfs/dbraw/zinc/99/23/53/586992353.db2.gz AEOUSHNQVSCPNE-SFYZADRCSA-N 1 2 230.333 1.409 20 0 BDADLO CCC(C)(C)OCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819783041 586994831 /nfs/dbraw/zinc/99/48/31/586994831.db2.gz YRQBWQCQVXFWSB-MRVPVSSYSA-N 1 2 244.360 1.799 20 0 BDADLO C[C@@H](NC(=O)C1(C)CC=CC1)c1[nH]cc[nH+]1 ZINC000820191642 587033525 /nfs/dbraw/zinc/03/35/25/587033525.db2.gz KPGTZSWFNHFBLU-SECBINFHSA-N 1 2 219.288 1.943 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820348327 587044650 /nfs/dbraw/zinc/04/46/50/587044650.db2.gz QYCLYBDEFFBBDG-GHMZBOCLSA-N 1 2 228.336 1.314 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820348327 587044651 /nfs/dbraw/zinc/04/46/51/587044651.db2.gz QYCLYBDEFFBBDG-GHMZBOCLSA-N 1 2 228.336 1.314 20 0 BDADLO CC(C)C1(NC(=O)/C=C\c2cn(C)c[nH+]2)CC1 ZINC000820637821 587060357 /nfs/dbraw/zinc/06/03/57/587060357.db2.gz NJTJPECLQPWOQI-PLNGDYQASA-N 1 2 233.315 1.738 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820752259 587070408 /nfs/dbraw/zinc/07/04/08/587070408.db2.gz YSQQQTXPZMLFGQ-GHMZBOCLSA-N 1 2 233.315 1.820 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820752259 587070410 /nfs/dbraw/zinc/07/04/10/587070410.db2.gz YSQQQTXPZMLFGQ-GHMZBOCLSA-N 1 2 233.315 1.820 20 0 BDADLO O=C1OC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000860163886 589084984 /nfs/dbraw/zinc/08/49/84/589084984.db2.gz DEHDPTLKBAHLQZ-BBKNBFFQSA-N 1 2 236.098 1.410 20 0 BDADLO O=C1OC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000860163886 589084985 /nfs/dbraw/zinc/08/49/85/589084985.db2.gz DEHDPTLKBAHLQZ-BBKNBFFQSA-N 1 2 236.098 1.410 20 0 BDADLO O=C(NC[C@H]1CCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC000821161822 587099460 /nfs/dbraw/zinc/09/94/60/587099460.db2.gz DRHZDYBWXDPVKP-SNVBAGLBSA-N 1 2 245.282 1.472 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@]1(C)C=CCC1 ZINC000821239990 587103174 /nfs/dbraw/zinc/10/31/74/587103174.db2.gz XFNBFEPFTDFRNM-ZDUSSCGKSA-N 1 2 233.315 1.876 20 0 BDADLO CC/C=C/CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821307411 587106391 /nfs/dbraw/zinc/10/63/91/587106391.db2.gz FWDYXZQTTGIORK-YTXTXJHMSA-N 1 2 219.288 1.516 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821332048 587108120 /nfs/dbraw/zinc/10/81/20/587108120.db2.gz JDKKAEKXWHNMKW-WCQYABFASA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821332048 587108121 /nfs/dbraw/zinc/10/81/21/587108121.db2.gz JDKKAEKXWHNMKW-WCQYABFASA-N 1 2 246.310 1.577 20 0 BDADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C=CCC1 ZINC000821384655 587115000 /nfs/dbraw/zinc/11/50/00/587115000.db2.gz AFGIWPSCCWHZGK-GWCFXTLKSA-N 1 2 231.299 1.280 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C=CCC1 ZINC000821384656 587115067 /nfs/dbraw/zinc/11/50/67/587115067.db2.gz AFGIWPSCCWHZGK-GXFFZTMASA-N 1 2 231.299 1.280 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC000821401661 587117318 /nfs/dbraw/zinc/11/73/18/587117318.db2.gz GJBMYEFTWACKCD-NXEZZACHSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC000821401661 587117319 /nfs/dbraw/zinc/11/73/19/587117319.db2.gz GJBMYEFTWACKCD-NXEZZACHSA-N 1 2 225.292 1.377 20 0 BDADLO O=C([O-])[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000821511883 587124345 /nfs/dbraw/zinc/12/43/45/587124345.db2.gz UZNPRXZDKMFAMJ-SNVBAGLBSA-N 1 2 245.282 1.241 20 0 BDADLO O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000821511883 587124347 /nfs/dbraw/zinc/12/43/47/587124347.db2.gz UZNPRXZDKMFAMJ-SNVBAGLBSA-N 1 2 245.282 1.241 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[C@@H]1C ZINC000821564500 587128665 /nfs/dbraw/zinc/12/86/65/587128665.db2.gz IMFFMMSJMSSSCI-UWVGGRQHSA-N 1 2 219.288 1.684 20 0 BDADLO CCC[C@H](O)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821786627 587138072 /nfs/dbraw/zinc/13/80/72/587138072.db2.gz MJBZFSKHFVZVGM-AEJSXWLSSA-N 1 2 237.303 1.166 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000822365420 587164406 /nfs/dbraw/zinc/16/44/06/587164406.db2.gz UMEJPQPNJNSNFT-ZWNOBZJWSA-N 1 2 233.315 1.269 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@]2(C)C=CCC2)c1 ZINC000822364342 587164486 /nfs/dbraw/zinc/16/44/86/587164486.db2.gz GHKFMZGJBPHBRM-CYBMUJFWSA-N 1 2 233.315 1.435 20 0 BDADLO C[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1nnc[nH]1 ZINC000822677637 587180202 /nfs/dbraw/zinc/18/02/02/587180202.db2.gz YQLISDKNHJGSDK-ZETCQYMHSA-N 1 2 249.145 1.820 20 0 BDADLO C[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1nnc[nH]1 ZINC000822677637 587180204 /nfs/dbraw/zinc/18/02/04/587180204.db2.gz YQLISDKNHJGSDK-ZETCQYMHSA-N 1 2 249.145 1.820 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@@H](C)C(C)(C)C)no1 ZINC000822825985 587187798 /nfs/dbraw/zinc/18/77/98/587187798.db2.gz CNIORFBQCTYDRU-SFYZADRCSA-N 1 2 227.308 1.865 20 0 BDADLO CCn1cc(C(=O)OCCn2cc[nH+]c2)c(C)n1 ZINC000860206274 589089650 /nfs/dbraw/zinc/08/96/50/589089650.db2.gz HALGBCUJCQULQV-UHFFFAOYSA-N 1 2 248.286 1.265 20 0 BDADLO O=C1O[C@H](C[N@@H+]2Cc3cccnc3C2)CC12CC2 ZINC000822997166 587197333 /nfs/dbraw/zinc/19/73/33/587197333.db2.gz UQMTXSYTGFCVAD-NSHDSACASA-N 1 2 244.294 1.493 20 0 BDADLO O=C1O[C@H](C[N@H+]2Cc3cccnc3C2)CC12CC2 ZINC000822997166 587197334 /nfs/dbraw/zinc/19/73/34/587197334.db2.gz UQMTXSYTGFCVAD-NSHDSACASA-N 1 2 244.294 1.493 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CC23CC3)c1 ZINC000823228248 587210156 /nfs/dbraw/zinc/21/01/56/587210156.db2.gz XQLQTTCPKHCHBM-PBKGFPTLSA-N 1 2 217.272 1.102 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC4(CC4)C3)cc2[nH+]1 ZINC000823242339 587210956 /nfs/dbraw/zinc/21/09/56/587210956.db2.gz KOLQWPGCYYDQEM-UHFFFAOYSA-N 1 2 241.294 1.879 20 0 BDADLO OC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823386128 587218781 /nfs/dbraw/zinc/21/87/81/587218781.db2.gz BYCVIRDVUOYFBF-UHFFFAOYSA-N 1 2 244.697 1.831 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823379364 587218791 /nfs/dbraw/zinc/21/87/91/587218791.db2.gz CDKFVBIWHSUSBF-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823379364 587218792 /nfs/dbraw/zinc/21/87/92/587218792.db2.gz CDKFVBIWHSUSBF-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823404509 587220311 /nfs/dbraw/zinc/22/03/11/587220311.db2.gz RGNJCTNRDXZHHS-QMMMGPOBSA-N 1 2 230.670 1.441 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823404509 587220313 /nfs/dbraw/zinc/22/03/13/587220313.db2.gz RGNJCTNRDXZHHS-QMMMGPOBSA-N 1 2 230.670 1.441 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2cccs2)C1 ZINC000823491986 587226454 /nfs/dbraw/zinc/22/64/54/587226454.db2.gz FBPOPSKXRPYYSW-UHFFFAOYSA-N 1 2 238.356 1.802 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2cccs2)C1 ZINC000823491986 587226455 /nfs/dbraw/zinc/22/64/55/587226455.db2.gz FBPOPSKXRPYYSW-UHFFFAOYSA-N 1 2 238.356 1.802 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@@H]1CCn2cc[nH+]c21 ZINC000823656019 587234476 /nfs/dbraw/zinc/23/44/76/587234476.db2.gz WRLLTAICLRHNIB-RKDXNWHRSA-N 1 2 232.287 1.180 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NOCC1CCC1 ZINC000824118637 587256699 /nfs/dbraw/zinc/25/66/99/587256699.db2.gz ZATHVHICGGMFED-UHFFFAOYSA-N 1 2 238.291 1.283 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NOCC1CCC1 ZINC000824118637 587256700 /nfs/dbraw/zinc/25/67/00/587256700.db2.gz ZATHVHICGGMFED-UHFFFAOYSA-N 1 2 238.291 1.283 20 0 BDADLO Cc1cnccc1C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000824427634 587269940 /nfs/dbraw/zinc/26/99/40/587269940.db2.gz KJIAVMARDGMHDJ-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cnccc1C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000824427634 587269941 /nfs/dbraw/zinc/26/99/41/587269941.db2.gz KJIAVMARDGMHDJ-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)CF)n1 ZINC000824435571 587270737 /nfs/dbraw/zinc/27/07/37/587270737.db2.gz WZRNFJVIRLTPCM-ZETCQYMHSA-N 1 2 200.261 1.054 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3c(c2)COC3)CC(=O)N1 ZINC000824909873 587293002 /nfs/dbraw/zinc/29/30/02/587293002.db2.gz QKQRBMBCMNPSRH-JTQLQIEISA-N 1 2 246.310 1.037 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC(=O)N1 ZINC000824909873 587293003 /nfs/dbraw/zinc/29/30/03/587293003.db2.gz QKQRBMBCMNPSRH-JTQLQIEISA-N 1 2 246.310 1.037 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)co1 ZINC000825056291 587300506 /nfs/dbraw/zinc/30/05/06/587300506.db2.gz GRHQXLXIKPTTBZ-MFKMUULPSA-N 1 2 249.358 1.809 20 0 BDADLO CCC1(CC(=O)N[C@H]2CCn3c[nH+]cc32)COC1 ZINC000825512268 587322498 /nfs/dbraw/zinc/32/24/98/587322498.db2.gz AMESNQNWNBXHIX-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO C[C@H](O)C1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000825677125 587331385 /nfs/dbraw/zinc/33/13/85/587331385.db2.gz AANDNANPJNXCOD-QMMMGPOBSA-N 1 2 245.282 1.206 20 0 BDADLO CC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825731623 587334836 /nfs/dbraw/zinc/33/48/36/587334836.db2.gz JOHBENKARXPFBG-SECBINFHSA-N 1 2 207.277 1.353 20 0 BDADLO c1[nH+]c2n(c1CN1CC3(C1)CCOC3)CCC2 ZINC000826023688 587348623 /nfs/dbraw/zinc/34/86/23/587348623.db2.gz CLWSGIUUDDFZIT-UHFFFAOYSA-N 1 2 233.315 1.052 20 0 BDADLO COCCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000826156519 587351620 /nfs/dbraw/zinc/35/16/20/587351620.db2.gz HLXCLEJTKHKVLW-UHFFFAOYSA-N 1 2 248.290 1.019 20 0 BDADLO COC[C@@H](C)Nc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000826149469 587351769 /nfs/dbraw/zinc/35/17/69/587351769.db2.gz ICSLPXSKSBLZBV-MRVPVSSYSA-N 1 2 248.290 1.017 20 0 BDADLO Cc1cc[nH+]c(NCC(F)F)c1-c1nn[nH]n1 ZINC000826312669 587352207 /nfs/dbraw/zinc/35/22/07/587352207.db2.gz LEKLBMJSFGBACK-UHFFFAOYSA-N 1 2 240.217 1.247 20 0 BDADLO CCCC[N@H+](C)CC[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000826829401 587363378 /nfs/dbraw/zinc/36/33/78/587363378.db2.gz ATQMEYGOCWZKRA-NSHDSACASA-N 1 2 243.351 1.060 20 0 BDADLO CCCC[N@@H+](C)CC[NH2+][C@H]1CCN(C(=O)[O-])C1 ZINC000826829401 587363379 /nfs/dbraw/zinc/36/33/79/587363379.db2.gz ATQMEYGOCWZKRA-NSHDSACASA-N 1 2 243.351 1.060 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(C)nn1 ZINC000827048178 587368769 /nfs/dbraw/zinc/36/87/69/587368769.db2.gz MSZPUAVURNAQQD-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(C)nn1 ZINC000827048178 587368770 /nfs/dbraw/zinc/36/87/70/587368770.db2.gz MSZPUAVURNAQQD-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CCC=CO1 ZINC000827352661 587378365 /nfs/dbraw/zinc/37/83/65/587378365.db2.gz MSJUCOCOLSLVAY-JQWIXIFHSA-N 1 2 245.294 1.560 20 0 BDADLO C/C=C/CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000827493614 587383421 /nfs/dbraw/zinc/38/34/21/587383421.db2.gz RQKRHDCFSFDYSA-ICWBMWKASA-N 1 2 205.261 1.126 20 0 BDADLO C[N@H+](CC[S@@](C)=O)Cc1ccoc1 ZINC000827808414 587403844 /nfs/dbraw/zinc/40/38/44/587403844.db2.gz FQPJTMHXEJKIAB-CYBMUJFWSA-N 1 2 201.291 1.090 20 0 BDADLO C[N@@H+](CC[S@@](C)=O)Cc1ccoc1 ZINC000827808414 587403846 /nfs/dbraw/zinc/40/38/46/587403846.db2.gz FQPJTMHXEJKIAB-CYBMUJFWSA-N 1 2 201.291 1.090 20 0 BDADLO CCc1cnc(C[N@H+](C)CC[S@](C)=O)s1 ZINC000827963022 587413406 /nfs/dbraw/zinc/41/34/06/587413406.db2.gz BCAMPFSKDANHHO-HNNXBMFYSA-N 1 2 246.401 1.516 20 0 BDADLO CCc1cnc(C[N@@H+](C)CC[S@](C)=O)s1 ZINC000827963022 587413407 /nfs/dbraw/zinc/41/34/07/587413407.db2.gz BCAMPFSKDANHHO-HNNXBMFYSA-N 1 2 246.401 1.516 20 0 BDADLO CCN1CC[N@H+](CCC(=O)CC(C)C)CC1=O ZINC000828263516 587429039 /nfs/dbraw/zinc/42/90/39/587429039.db2.gz WOXPJGCKQARJOW-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCN1CC[N@@H+](CCC(=O)CC(C)C)CC1=O ZINC000828263516 587429041 /nfs/dbraw/zinc/42/90/41/587429041.db2.gz WOXPJGCKQARJOW-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCCONC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000828297149 587432495 /nfs/dbraw/zinc/43/24/95/587432495.db2.gz VNBSCLUYTUIRQY-UHFFFAOYSA-N 1 2 248.286 1.475 20 0 BDADLO Cc1cnccc1CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000828382251 587439393 /nfs/dbraw/zinc/43/93/93/587439393.db2.gz RFKCPRDAXBFPGI-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cnccc1CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000828382251 587439394 /nfs/dbraw/zinc/43/93/94/587439394.db2.gz RFKCPRDAXBFPGI-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC000828501711 587446109 /nfs/dbraw/zinc/44/61/09/587446109.db2.gz FOLPAHVODWZVEQ-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO C[C@H]1CCC[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828643651 587454943 /nfs/dbraw/zinc/45/49/43/587454943.db2.gz ZEPZOKDLOPLQMX-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000828627277 587455140 /nfs/dbraw/zinc/45/51/40/587455140.db2.gz STTBLFBGIRMRQC-DGCLKSJQSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000828627277 587455141 /nfs/dbraw/zinc/45/51/41/587455141.db2.gz STTBLFBGIRMRQC-DGCLKSJQSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000828627276 587455274 /nfs/dbraw/zinc/45/52/74/587455274.db2.gz STTBLFBGIRMRQC-AAEUAGOBSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000828627276 587455276 /nfs/dbraw/zinc/45/52/76/587455276.db2.gz STTBLFBGIRMRQC-AAEUAGOBSA-N 1 2 243.347 1.073 20 0 BDADLO Cc1cnc(CNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000828795916 587462418 /nfs/dbraw/zinc/46/24/18/587462418.db2.gz ZRSWSGBXCOBKEG-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO CC(C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829116672 587483585 /nfs/dbraw/zinc/48/35/85/587483585.db2.gz ULVHHWFSBBUFTN-UHFFFAOYSA-N 1 2 211.696 1.897 20 0 BDADLO CC(C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829116672 587483587 /nfs/dbraw/zinc/48/35/87/587483587.db2.gz ULVHHWFSBBUFTN-UHFFFAOYSA-N 1 2 211.696 1.897 20 0 BDADLO CC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829111136 587483614 /nfs/dbraw/zinc/48/36/14/587483614.db2.gz LHYPWURDVZTYMM-UHFFFAOYSA-N 1 2 205.261 1.194 20 0 BDADLO CC(C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829394066 587495222 /nfs/dbraw/zinc/49/52/22/587495222.db2.gz MSSFDJYHDFAXMC-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829398998 587495860 /nfs/dbraw/zinc/49/58/60/587495860.db2.gz OIUPGPQEEAOFBU-MWLCHTKSSA-N 1 2 248.330 1.313 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829398998 587495862 /nfs/dbraw/zinc/49/58/62/587495862.db2.gz OIUPGPQEEAOFBU-MWLCHTKSSA-N 1 2 248.330 1.313 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000829630096 587506802 /nfs/dbraw/zinc/50/68/02/587506802.db2.gz AZSHKZGZZQTQRL-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829916754 587528115 /nfs/dbraw/zinc/52/81/15/587528115.db2.gz LBYJEBBJQCHPRN-SNVBAGLBSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(C)n1 ZINC000829946216 587529407 /nfs/dbraw/zinc/52/94/07/587529407.db2.gz ALSPFEJSHWPKSZ-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000829948900 587529525 /nfs/dbraw/zinc/52/95/25/587529525.db2.gz KWAIOBTYHVOMGU-HIJJYWJESA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000830008069 587531912 /nfs/dbraw/zinc/53/19/12/587531912.db2.gz KZFGWCFLOOACEB-AOTGITSDSA-N 1 2 245.326 1.594 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1(C(F)F)CC1 ZINC000830026687 587532469 /nfs/dbraw/zinc/53/24/69/587532469.db2.gz RZIYXXBCNMPPBH-UHFFFAOYSA-N 1 2 244.241 1.862 20 0 BDADLO CCOC(C[N@H+](C1CC1)C1COC1)OCC ZINC000830235612 587543199 /nfs/dbraw/zinc/54/31/99/587543199.db2.gz LFQCKYFVRAGNPD-UHFFFAOYSA-N 1 2 229.320 1.249 20 0 BDADLO CCOC(C[N@@H+](C1CC1)C1COC1)OCC ZINC000830235612 587543201 /nfs/dbraw/zinc/54/32/01/587543201.db2.gz LFQCKYFVRAGNPD-UHFFFAOYSA-N 1 2 229.320 1.249 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000830658301 587562873 /nfs/dbraw/zinc/56/28/73/587562873.db2.gz MPUWQAZXTUCOOZ-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1(F)CC1 ZINC000830758461 587568048 /nfs/dbraw/zinc/56/80/48/587568048.db2.gz GJWJDZMFYYORSY-UHFFFAOYSA-N 1 2 212.224 1.319 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000831204754 587591934 /nfs/dbraw/zinc/59/19/34/587591934.db2.gz JNXROCQXEXDSLC-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](CCF)CCO2 ZINC000831773185 587631212 /nfs/dbraw/zinc/63/12/12/587631212.db2.gz LKWQEJMXYSXGSH-UHFFFAOYSA-N 1 2 225.263 1.859 20 0 BDADLO COc1ccc2c(c1)C[N@H+](CCF)CCO2 ZINC000831773185 587631214 /nfs/dbraw/zinc/63/12/14/587631214.db2.gz LKWQEJMXYSXGSH-UHFFFAOYSA-N 1 2 225.263 1.859 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000832165336 587647480 /nfs/dbraw/zinc/64/74/80/587647480.db2.gz SWQCWFJGXLXODK-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000832165272 587647650 /nfs/dbraw/zinc/64/76/50/587647650.db2.gz QQZUQNRAFCUANM-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833277168 587704113 /nfs/dbraw/zinc/70/41/13/587704113.db2.gz ATWOIXALZKSHDG-GARJFASQSA-N 1 2 233.315 1.736 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833302045 587705100 /nfs/dbraw/zinc/70/51/00/587705100.db2.gz XBFLKKWIQHXRIE-SNVBAGLBSA-N 1 2 221.304 1.880 20 0 BDADLO C/C(=C\C[N@H+](C)CCCn1cc[nH+]c1)C(=O)[O-] ZINC000833383816 587712499 /nfs/dbraw/zinc/71/24/99/587712499.db2.gz QEWDXDMPUZWVIY-NYYWCZLTSA-N 1 2 237.303 1.236 20 0 BDADLO C/C(=C\C[N@@H+](C)CCCn1cc[nH+]c1)C(=O)[O-] ZINC000833383816 587712501 /nfs/dbraw/zinc/71/25/01/587712501.db2.gz QEWDXDMPUZWVIY-NYYWCZLTSA-N 1 2 237.303 1.236 20 0 BDADLO CCC[C@@H](OC)C(=O)OCCc1c[nH+]cn1C ZINC000835322530 587796405 /nfs/dbraw/zinc/79/64/05/587796405.db2.gz HERWDCSGWWSANK-LLVKDONJSA-N 1 2 240.303 1.321 20 0 BDADLO O=C(CC1CC(F)(F)C1)OCCn1cc[nH+]c1 ZINC000835351270 587797928 /nfs/dbraw/zinc/79/79/28/587797928.db2.gz ZFABBRLQKKIOKA-UHFFFAOYSA-N 1 2 244.241 1.862 20 0 BDADLO CC1(CNC(=O)N[C@@H]2CCn3cc[nH+]c32)CCC1 ZINC000836341037 587831274 /nfs/dbraw/zinc/83/12/74/587831274.db2.gz MXGMKKLYRQJWDE-SNVBAGLBSA-N 1 2 248.330 1.817 20 0 BDADLO CCC1(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)COC1 ZINC000836953370 587843659 /nfs/dbraw/zinc/84/36/59/587843659.db2.gz FDMPLXJTQZBQCY-VHSXEESVSA-N 1 2 249.314 1.432 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000837715572 587892236 /nfs/dbraw/zinc/89/22/36/587892236.db2.gz CEUNGKICUJPPNN-KHPPLWFESA-N 1 2 235.331 1.825 20 0 BDADLO O=C(CSC1CC1)OCCCn1cc[nH+]c1 ZINC000837874553 587901559 /nfs/dbraw/zinc/90/15/59/587901559.db2.gz XUOAKGKNTXHLMC-UHFFFAOYSA-N 1 2 240.328 1.712 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000837974312 587906379 /nfs/dbraw/zinc/90/63/79/587906379.db2.gz USWCESKDNXKZOQ-NXEZZACHSA-N 1 2 220.272 1.753 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000840940394 587930655 /nfs/dbraw/zinc/93/06/55/587930655.db2.gz YESQYNIUHKMRMI-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000840940394 587930657 /nfs/dbraw/zinc/93/06/57/587930657.db2.gz YESQYNIUHKMRMI-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO Cc1nn(C)cc1CO[NH+]=C(N)COC(C)C ZINC000842025358 587989905 /nfs/dbraw/zinc/98/99/05/587989905.db2.gz NGBFUYKZIVUIHW-UHFFFAOYSA-N 1 2 240.307 1.152 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCC1(OC)CCC1 ZINC000842037432 587991997 /nfs/dbraw/zinc/99/19/97/587991997.db2.gz ZSJNOLZBNFCRGU-VIFPVBQESA-N 1 2 230.308 1.479 20 0 BDADLO C[C@]1([NH2+]CCOCC2CCC2)CCOC1=O ZINC000842155681 588003700 /nfs/dbraw/zinc/00/37/00/588003700.db2.gz BIRATSFIRZDYPM-LBPRGKRZSA-N 1 2 227.304 1.098 20 0 BDADLO NC(COC[C@@H]1CCCO1)=[NH+]OC1CCC1 ZINC000842656659 588049876 /nfs/dbraw/zinc/04/98/76/588049876.db2.gz OHBDBLAGCKJSJB-JTQLQIEISA-N 1 2 228.292 1.233 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+]CC(F)(F)CO)cc1 ZINC000843081081 588080273 /nfs/dbraw/zinc/08/02/73/588080273.db2.gz OOMASJJHVLTRDW-NSHDSACASA-N 1 2 245.269 1.246 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccc(OC)cn2)n1 ZINC000843141010 588086290 /nfs/dbraw/zinc/08/62/90/588086290.db2.gz GZGJCTZRVCDLFK-UHFFFAOYSA-N 1 2 248.286 1.174 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000843414906 588107210 /nfs/dbraw/zinc/10/72/10/588107210.db2.gz FMHNQLLSGNMKEJ-XKGSQUFQSA-N 1 2 243.347 1.731 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(C(F)F)CC1 ZINC000843522634 588119205 /nfs/dbraw/zinc/11/92/05/588119205.db2.gz GVOHQZVXFHGGPA-UHFFFAOYSA-N 1 2 229.230 1.045 20 0 BDADLO CC/C=C(/F)C(=O)NCCc1c[nH+]cn1C ZINC000867332113 588134598 /nfs/dbraw/zinc/13/45/98/588134598.db2.gz YMTNDIWSGVSXMZ-ONNFQVAWSA-N 1 2 225.267 1.342 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C(F)F)CC1 ZINC000843767780 588138915 /nfs/dbraw/zinc/13/89/15/588138915.db2.gz NNXHSDUZJDRFSI-QMMMGPOBSA-N 1 2 243.257 1.433 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]2C[C@H]21 ZINC000844138386 588169922 /nfs/dbraw/zinc/16/99/22/588169922.db2.gz BTNOYQFMWINIFK-DMDPSCGWSA-N 1 2 245.326 1.456 20 0 BDADLO O=C(NOCCC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844145431 588170688 /nfs/dbraw/zinc/17/06/88/588170688.db2.gz WWDGAZBCWCAKPW-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H](C)CCC ZINC000844380945 588186757 /nfs/dbraw/zinc/18/67/57/588186757.db2.gz YMLYAZRFIZPZAW-SRVKXCTJSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@H](CC(=O)NCc1ccon1)n1cc[nH+]c1 ZINC000844414901 588191027 /nfs/dbraw/zinc/19/10/27/588191027.db2.gz JJMQZLISSYDWJS-SECBINFHSA-N 1 2 234.259 1.139 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](C/C=C/Cl)C[C@H](C)O1 ZINC000844423072 588191994 /nfs/dbraw/zinc/19/19/94/588191994.db2.gz MPNHUUFLHJCYSR-FBFNWGNUSA-N 1 2 233.695 1.001 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H](C)O1 ZINC000844423072 588191995 /nfs/dbraw/zinc/19/19/95/588191995.db2.gz MPNHUUFLHJCYSR-FBFNWGNUSA-N 1 2 233.695 1.001 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439246 588193834 /nfs/dbraw/zinc/19/38/34/588193834.db2.gz QCOJZVXLHHJDPO-VIFPVBQESA-N 1 2 219.231 1.281 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439246 588193835 /nfs/dbraw/zinc/19/38/35/588193835.db2.gz QCOJZVXLHHJDPO-VIFPVBQESA-N 1 2 219.231 1.281 20 0 BDADLO CCn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450432 588195160 /nfs/dbraw/zinc/19/51/60/588195160.db2.gz LNLDGINXZFVGDD-DTORHVGOSA-N 1 2 227.258 1.600 20 0 BDADLO CCn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450432 588195161 /nfs/dbraw/zinc/19/51/61/588195161.db2.gz LNLDGINXZFVGDD-DTORHVGOSA-N 1 2 227.258 1.600 20 0 BDADLO COC/C(C)=C\C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000844553662 588201980 /nfs/dbraw/zinc/20/19/80/588201980.db2.gz VMQPHNWGBQWSJT-RNKPRXRFSA-N 1 2 235.287 1.037 20 0 BDADLO COCc1cc[nH+]c(NCc2cc(C)nn2C)c1 ZINC000844708675 588214827 /nfs/dbraw/zinc/21/48/27/588214827.db2.gz NCHZNFVNEODTLZ-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CN1CCCC1=O ZINC000844725425 588215117 /nfs/dbraw/zinc/21/51/17/588215117.db2.gz ILGNLCHQOBMBAI-NEPJUHHUSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CN1CCCC1=O ZINC000844725425 588215118 /nfs/dbraw/zinc/21/51/18/588215118.db2.gz ILGNLCHQOBMBAI-NEPJUHHUSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@@H](C)C2=O)[C@@H](C)CO1 ZINC000844727183 588215314 /nfs/dbraw/zinc/21/53/14/588215314.db2.gz DNTLWPJBQBWFHW-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)[C@@H](C)CO1 ZINC000844727183 588215315 /nfs/dbraw/zinc/21/53/15/588215315.db2.gz DNTLWPJBQBWFHW-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845281250 588225534 /nfs/dbraw/zinc/22/55/34/588225534.db2.gz JLJXMMIKNJHJGK-VHSXEESVSA-N 1 2 238.287 1.745 20 0 BDADLO C[C@H](CO)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845286511 588225731 /nfs/dbraw/zinc/22/57/31/588225731.db2.gz XBEDNUTVRVUQQP-ZJUUUORDSA-N 1 2 226.276 1.006 20 0 BDADLO C[C@H](CC(=O)OCCC1(O)CC1)n1cc[nH+]c1 ZINC000845283440 588225741 /nfs/dbraw/zinc/22/57/41/588225741.db2.gz CGZDSAQEKTWZFJ-SNVBAGLBSA-N 1 2 238.287 1.292 20 0 BDADLO CO[C@H](C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283623 588225934 /nfs/dbraw/zinc/22/59/34/588225934.db2.gz FJNOSSPFJBOOCD-VHSXEESVSA-N 1 2 226.276 1.412 20 0 BDADLO C[C@@H](CC(=O)O[C@@H]1CCO[C@H]1C)n1cc[nH+]c1 ZINC000845521549 588231777 /nfs/dbraw/zinc/23/17/77/588231777.db2.gz ZJLVKXOXMMPFLP-GARJFASQSA-N 1 2 238.287 1.555 20 0 BDADLO COC[C@H](C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845518200 588231949 /nfs/dbraw/zinc/23/19/49/588231949.db2.gz GSRUJYXNWMEEPR-QWRGUYRKSA-N 1 2 240.303 1.660 20 0 BDADLO Cc1nonc1CC(=O)Nc1ccc(C)[nH+]c1C ZINC000845762314 588244212 /nfs/dbraw/zinc/24/42/12/588244212.db2.gz YANVVKKYMLBIAX-UHFFFAOYSA-N 1 2 246.270 1.571 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cc2cnccc2o1 ZINC000845970961 588252399 /nfs/dbraw/zinc/25/23/99/588252399.db2.gz VIEHDGWAWLIGHR-UHFFFAOYSA-N 1 2 244.254 1.809 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000846043236 588254591 /nfs/dbraw/zinc/25/45/91/588254591.db2.gz JNHNPDAACILMCG-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000846043236 588254592 /nfs/dbraw/zinc/25/45/92/588254592.db2.gz JNHNPDAACILMCG-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)nn2C)[C@@H](C)CO1 ZINC000846044219 588254646 /nfs/dbraw/zinc/25/46/46/588254646.db2.gz GFFHCGLNGZEPNT-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)nn2C)[C@@H](C)CO1 ZINC000846044219 588254647 /nfs/dbraw/zinc/25/46/47/588254647.db2.gz GFFHCGLNGZEPNT-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CCONC(=O)C[NH2+]C1CCC(C(C)C)CC1 ZINC000846088801 588256192 /nfs/dbraw/zinc/25/61/92/588256192.db2.gz LKXOTIDNXZBRRJ-UHFFFAOYSA-N 1 2 242.363 1.859 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000846090243 588256211 /nfs/dbraw/zinc/25/62/11/588256211.db2.gz DLCCRMIQSOEYQW-ZYHUDNBSSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000846088695 588256232 /nfs/dbraw/zinc/25/62/32/588256232.db2.gz ZTYITIRYLKHGDG-NWDGAFQWSA-N 1 2 242.363 1.859 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)CC(C)C ZINC000846090210 588256307 /nfs/dbraw/zinc/25/63/07/588256307.db2.gz ZRBUHAMTTZYHDQ-SECBINFHSA-N 1 2 202.298 1.078 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)CCC(C)(C)C ZINC000846090508 588256423 /nfs/dbraw/zinc/25/64/23/588256423.db2.gz BNXVCFHNEOKTKL-SNVBAGLBSA-N 1 2 230.352 1.859 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112691 588257440 /nfs/dbraw/zinc/25/74/40/588257440.db2.gz DXIJXJJLGGEGNT-OCAPTIKFSA-N 1 2 213.231 1.415 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112691 588257441 /nfs/dbraw/zinc/25/74/41/588257441.db2.gz DXIJXJJLGGEGNT-OCAPTIKFSA-N 1 2 213.231 1.415 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112691 588257442 /nfs/dbraw/zinc/25/74/42/588257442.db2.gz DXIJXJJLGGEGNT-OCAPTIKFSA-N 1 2 213.231 1.415 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112691 588257443 /nfs/dbraw/zinc/25/74/43/588257443.db2.gz DXIJXJJLGGEGNT-OCAPTIKFSA-N 1 2 213.231 1.415 20 0 BDADLO CC[C@H](C)CONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846213497 588260186 /nfs/dbraw/zinc/26/01/86/588260186.db2.gz PLRWPMGQFRDDRI-QWRGUYRKSA-N 1 2 239.319 1.928 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846805338 588289581 /nfs/dbraw/zinc/28/95/81/588289581.db2.gz BOYGZCLUHUBWFS-MNOVXSKESA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846805338 588289582 /nfs/dbraw/zinc/28/95/82/588289582.db2.gz BOYGZCLUHUBWFS-MNOVXSKESA-N 1 2 241.360 1.664 20 0 BDADLO COC(=O)CC[N@H+](Cc1cnsn1)C(C)C ZINC000846805230 588289659 /nfs/dbraw/zinc/28/96/59/588289659.db2.gz VYMZZYZOAOKCDP-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO COC(=O)CC[N@@H+](Cc1cnsn1)C(C)C ZINC000846805230 588289660 /nfs/dbraw/zinc/28/96/60/588289660.db2.gz VYMZZYZOAOKCDP-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000846815701 588290870 /nfs/dbraw/zinc/29/08/70/588290870.db2.gz RZOBEVJOCKTBLY-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000846815701 588290871 /nfs/dbraw/zinc/29/08/71/588290871.db2.gz RZOBEVJOCKTBLY-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnsn2)CCS1 ZINC000846872227 588295012 /nfs/dbraw/zinc/29/50/12/588295012.db2.gz KXONWYTWDNFEGX-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnsn2)CCS1 ZINC000846872227 588295013 /nfs/dbraw/zinc/29/50/13/588295013.db2.gz KXONWYTWDNFEGX-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO CC(=O)C1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000846937402 588297368 /nfs/dbraw/zinc/29/73/68/588297368.db2.gz FUNZOGBELNSDEP-QMMMGPOBSA-N 1 2 236.319 1.475 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000846960122 588298517 /nfs/dbraw/zinc/29/85/17/588298517.db2.gz MHFAOAQVYRAYSJ-GUBZILKMSA-N 1 2 229.320 1.077 20 0 BDADLO CC[N@H+](Cc1cnsn1)[C@H]1CCCOC1 ZINC000847009100 588301316 /nfs/dbraw/zinc/30/13/16/588301316.db2.gz ONIITCSHDKLANL-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@@H+](Cc1cnsn1)[C@H]1CCCOC1 ZINC000847009100 588301317 /nfs/dbraw/zinc/30/13/17/588301317.db2.gz ONIITCSHDKLANL-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO FC1(F)C[C@@]12CC[N@H+](Cc1cnsn1)C2 ZINC000847012112 588301500 /nfs/dbraw/zinc/30/15/00/588301500.db2.gz GWQVOKHFRILCFC-MRVPVSSYSA-N 1 2 231.271 1.769 20 0 BDADLO FC1(F)C[C@@]12CC[N@@H+](Cc1cnsn1)C2 ZINC000847012112 588301501 /nfs/dbraw/zinc/30/15/01/588301501.db2.gz GWQVOKHFRILCFC-MRVPVSSYSA-N 1 2 231.271 1.769 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847038830 588304821 /nfs/dbraw/zinc/30/48/21/588304821.db2.gz WPVFTLRLEGBBFW-RYUDHWBXSA-N 1 2 239.315 1.335 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847038830 588304822 /nfs/dbraw/zinc/30/48/22/588304822.db2.gz WPVFTLRLEGBBFW-RYUDHWBXSA-N 1 2 239.315 1.335 20 0 BDADLO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000847526037 588315338 /nfs/dbraw/zinc/31/53/38/588315338.db2.gz RGTPSDCYNIJECZ-VIFPVBQESA-N 1 2 238.287 1.064 20 0 BDADLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000847526037 588315340 /nfs/dbraw/zinc/31/53/40/588315340.db2.gz RGTPSDCYNIJECZ-VIFPVBQESA-N 1 2 238.287 1.064 20 0 BDADLO CON(CC(C)(C)C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000848064817 588352685 /nfs/dbraw/zinc/35/26/85/588352685.db2.gz SQPUVNHHFTVDSX-UHFFFAOYSA-N 1 2 242.363 1.764 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOCCC1CC1 ZINC000848129289 588359340 /nfs/dbraw/zinc/35/93/40/588359340.db2.gz QGXYTEDONODEMA-SECBINFHSA-N 1 2 237.303 1.436 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOCCC1CC1 ZINC000848129289 588359338 /nfs/dbraw/zinc/35/93/38/588359338.db2.gz QGXYTEDONODEMA-SECBINFHSA-N 1 2 237.303 1.436 20 0 BDADLO C[C@@H](NC(=O)C(F)=C1CCC1)c1[nH]cc[nH+]1 ZINC000848386958 588375743 /nfs/dbraw/zinc/37/57/43/588375743.db2.gz BZPUGTUUTSVZTC-SSDOTTSWSA-N 1 2 223.251 1.994 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2CCCn3ccnc32)n1 ZINC000848535768 588393880 /nfs/dbraw/zinc/39/38/80/588393880.db2.gz GNXXKSJVKABEOD-NSHDSACASA-N 1 2 231.303 1.241 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848553598 588396806 /nfs/dbraw/zinc/39/68/06/588396806.db2.gz WMHKKLHBQACRGR-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cccnc1F ZINC000848695104 588406114 /nfs/dbraw/zinc/40/61/14/588406114.db2.gz UDBPGPKRUWULRF-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)O[C@H]3CCOC3)ccn12 ZINC000848783289 588413673 /nfs/dbraw/zinc/41/36/73/588413673.db2.gz ZQNXCSFJBPLEJW-NSHDSACASA-N 1 2 246.266 1.588 20 0 BDADLO Cn1c(C[NH+]2CC3(C2)CCOC3)cnc1Cl ZINC000848914731 588420430 /nfs/dbraw/zinc/42/04/30/588420430.db2.gz RUFBSXYSKBPFNJ-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO CCCCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000849139655 588454897 /nfs/dbraw/zinc/45/48/97/588454897.db2.gz HEDVKOLKGAKMNN-LBPRGKRZSA-N 1 2 238.335 1.519 20 0 BDADLO C[C@@H](O)c1cn(-c2ccc([NH+](C)C)cc2)nn1 ZINC000849146775 588455396 /nfs/dbraw/zinc/45/53/96/588455396.db2.gz VWDPVHKZCZUHMD-SECBINFHSA-N 1 2 232.287 1.387 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C=CCC1 ZINC000849225989 588463197 /nfs/dbraw/zinc/46/31/97/588463197.db2.gz JUDCWZWFKGQUKP-QWRGUYRKSA-N 1 2 234.303 1.289 20 0 BDADLO S=C(NCCCn1cc[nH+]c1)NCC1CC1 ZINC000849251212 588464866 /nfs/dbraw/zinc/46/48/66/588464866.db2.gz GZKDPGJOCYAAJC-UHFFFAOYSA-N 1 2 238.360 1.147 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000849323068 588472240 /nfs/dbraw/zinc/47/22/40/588472240.db2.gz MSCRAGCDHRNJPN-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(C)C)C1 ZINC000849734597 588491683 /nfs/dbraw/zinc/49/16/83/588491683.db2.gz MAIODYCGPJOJMB-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(C)C)C1 ZINC000849734597 588491684 /nfs/dbraw/zinc/49/16/84/588491684.db2.gz MAIODYCGPJOJMB-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO CCc1cc(N)nc(S[C@H](C)OC(C)=O)[nH+]1 ZINC000849894283 588508306 /nfs/dbraw/zinc/50/83/06/588508306.db2.gz AWXKYIBXZRTSQJ-SSDOTTSWSA-N 1 2 241.316 1.622 20 0 BDADLO COc1cncc(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000850271597 588534291 /nfs/dbraw/zinc/53/42/91/588534291.db2.gz BUHODONBLAMHSD-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCc1nc(C[NH2+]Cc2cncc(OC)c2)co1 ZINC000850317535 588536321 /nfs/dbraw/zinc/53/63/21/588536321.db2.gz XFSUCWYRRZUAPM-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000850372319 588541395 /nfs/dbraw/zinc/54/13/95/588541395.db2.gz SSTBGJQCJXYPJH-NEPJUHHUSA-N 1 2 229.283 1.678 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000885579753 588562438 /nfs/dbraw/zinc/56/24/38/588562438.db2.gz MGROSXGHIXRIDN-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)O1 ZINC000851731945 588619514 /nfs/dbraw/zinc/61/95/14/588619514.db2.gz DQWKOVHZELIXJT-MNOVXSKESA-N 1 2 249.314 1.295 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)O1 ZINC000851731945 588619515 /nfs/dbraw/zinc/61/95/15/588619515.db2.gz DQWKOVHZELIXJT-MNOVXSKESA-N 1 2 249.314 1.295 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(C2CC2)no1 ZINC000851733783 588619847 /nfs/dbraw/zinc/61/98/47/588619847.db2.gz GMNPQPAMMSMTJC-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(C2CC2)no1 ZINC000851733783 588619848 /nfs/dbraw/zinc/61/98/48/588619848.db2.gz GMNPQPAMMSMTJC-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO FC(F)CN1CC[NH+](CCOC(F)F)CC1 ZINC000851740738 588621509 /nfs/dbraw/zinc/62/15/09/588621509.db2.gz WWCMKUITPKOTGH-UHFFFAOYSA-N 1 2 244.232 1.108 20 0 BDADLO COC(CC[N@H+](C)CC(=O)OC(C)(C)C)OC ZINC000851745665 588621971 /nfs/dbraw/zinc/62/19/71/588621971.db2.gz KSOJOETVWHWDQU-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO COC(CC[N@@H+](C)CC(=O)OC(C)(C)C)OC ZINC000851745665 588621972 /nfs/dbraw/zinc/62/19/72/588621972.db2.gz KSOJOETVWHWDQU-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOC(F)F ZINC000851810857 588632843 /nfs/dbraw/zinc/63/28/43/588632843.db2.gz OQMAHTUBOGIAIL-MRVPVSSYSA-N 1 2 239.262 1.498 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOC(F)F ZINC000851810857 588632844 /nfs/dbraw/zinc/63/28/44/588632844.db2.gz OQMAHTUBOGIAIL-MRVPVSSYSA-N 1 2 239.262 1.498 20 0 BDADLO C[C@@H](NC(=O)OC1CCC1)c1[nH+]ccn1C ZINC000851855734 588635475 /nfs/dbraw/zinc/63/54/75/588635475.db2.gz VKMZJGOZVDGMGF-MRVPVSSYSA-N 1 2 223.276 1.760 20 0 BDADLO C[C@H](NC(=O)OCC1CC1)c1[nH+]ccn1C ZINC000851856429 588635495 /nfs/dbraw/zinc/63/54/95/588635495.db2.gz QICIEHOVQRXNLS-QMMMGPOBSA-N 1 2 223.276 1.617 20 0 BDADLO O[C@@H](C[NH+]1CC(C(F)(F)F)C1)c1ccccn1 ZINC000851857106 588635501 /nfs/dbraw/zinc/63/55/01/588635501.db2.gz MCGQWSLPFJSVEQ-JTQLQIEISA-N 1 2 246.232 1.609 20 0 BDADLO CC[N@H+](CCc1nccs1)Cc1cnon1 ZINC000851865742 588636514 /nfs/dbraw/zinc/63/65/14/588636514.db2.gz GXLPKHMMLOPCIF-UHFFFAOYSA-N 1 2 238.316 1.591 20 0 BDADLO CC[N@@H+](CCc1nccs1)Cc1cnon1 ZINC000851865742 588636515 /nfs/dbraw/zinc/63/65/15/588636515.db2.gz GXLPKHMMLOPCIF-UHFFFAOYSA-N 1 2 238.316 1.591 20 0 BDADLO Cc1cnc(CC[N@@H+](C)Cc2cnon2)s1 ZINC000851867836 588636853 /nfs/dbraw/zinc/63/68/53/588636853.db2.gz FBADINLCMBRNAU-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1cnc(CC[N@H+](C)Cc2cnon2)s1 ZINC000851867836 588636854 /nfs/dbraw/zinc/63/68/54/588636854.db2.gz FBADINLCMBRNAU-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO CCC[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851871080 588637214 /nfs/dbraw/zinc/63/72/14/588637214.db2.gz MNNNEOVCOBRDHB-SECBINFHSA-N 1 2 223.263 1.727 20 0 BDADLO CCC[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851871080 588637215 /nfs/dbraw/zinc/63/72/15/588637215.db2.gz MNNNEOVCOBRDHB-SECBINFHSA-N 1 2 223.263 1.727 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000851872135 588637640 /nfs/dbraw/zinc/63/76/40/588637640.db2.gz ZOXGDESFTRYHJA-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000851872135 588637641 /nfs/dbraw/zinc/63/76/41/588637641.db2.gz ZOXGDESFTRYHJA-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000851880520 588639481 /nfs/dbraw/zinc/63/94/81/588639481.db2.gz CUDKFRIWNOMRBE-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000851880520 588639482 /nfs/dbraw/zinc/63/94/82/588639482.db2.gz CUDKFRIWNOMRBE-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO CC[C@](C)([NH2+]C[C@H]1COC(C)(C)O1)C(=O)OC ZINC000851885969 588639744 /nfs/dbraw/zinc/63/97/44/588639744.db2.gz NRCILFVPANTAAK-CABZTGNLSA-N 1 2 245.319 1.069 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCOC(F)F)C1CC1 ZINC000851885754 588640053 /nfs/dbraw/zinc/64/00/53/588640053.db2.gz LBSVNKDGGTUPBQ-JTQLQIEISA-N 1 2 237.246 1.157 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851892990 588641499 /nfs/dbraw/zinc/64/14/99/588641499.db2.gz SOJJVLILZCBZFL-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1cccc(O)c1 ZINC000851899501 588641780 /nfs/dbraw/zinc/64/17/80/588641780.db2.gz YMKUZBDEENSNAR-QMMMGPOBSA-N 1 2 219.244 1.626 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOC(F)F)C(=O)OC ZINC000851928763 588644878 /nfs/dbraw/zinc/64/48/78/588644878.db2.gz PUHKDEJXIVZOJY-YUMQZZPRSA-N 1 2 239.262 1.403 20 0 BDADLO C[C@@H](CO)[C@@H](C)[NH2+]CC(F)(F)Br ZINC000851933814 588645405 /nfs/dbraw/zinc/64/54/05/588645405.db2.gz VUQKGIXPOXETDJ-NTSWFWBYSA-N 1 2 246.095 1.581 20 0 BDADLO c1nonc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000851985677 588651718 /nfs/dbraw/zinc/65/17/18/588651718.db2.gz PLQRFYVNJQDKCC-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000851995692 588653420 /nfs/dbraw/zinc/65/34/20/588653420.db2.gz WEMHPMHBBZEEKY-VIFPVBQESA-N 1 2 231.246 1.786 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000851995692 588653421 /nfs/dbraw/zinc/65/34/21/588653421.db2.gz WEMHPMHBBZEEKY-VIFPVBQESA-N 1 2 231.246 1.786 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnon1 ZINC000851998526 588653559 /nfs/dbraw/zinc/65/35/59/588653559.db2.gz UUDBNKOZGIBQHD-POYBYMJQSA-N 1 2 235.209 1.842 20 0 BDADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cnon1 ZINC000851998526 588653560 /nfs/dbraw/zinc/65/35/60/588653560.db2.gz UUDBNKOZGIBQHD-POYBYMJQSA-N 1 2 235.209 1.842 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cnon2)C12CCC2 ZINC000852142463 588666669 /nfs/dbraw/zinc/66/66/69/588666669.db2.gz ZKDALKJNRLAOBE-MNOVXSKESA-N 1 2 237.303 1.459 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cnon2)C12CCC2 ZINC000852142463 588666670 /nfs/dbraw/zinc/66/66/70/588666670.db2.gz ZKDALKJNRLAOBE-MNOVXSKESA-N 1 2 237.303 1.459 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000852189030 588671093 /nfs/dbraw/zinc/67/10/93/588671093.db2.gz TWZDMTVXRRKKBY-UHFFFAOYSA-N 1 2 249.270 1.416 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000852189030 588671094 /nfs/dbraw/zinc/67/10/94/588671094.db2.gz TWZDMTVXRRKKBY-UHFFFAOYSA-N 1 2 249.270 1.416 20 0 BDADLO FC1(F)CC12CC[NH+](Cc1cnon1)CC2 ZINC000852212294 588672735 /nfs/dbraw/zinc/67/27/35/588672735.db2.gz YSGISFPSYUENTM-UHFFFAOYSA-N 1 2 229.230 1.691 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@H]2CCC(=O)O2)n1 ZINC000852217841 588673797 /nfs/dbraw/zinc/67/37/97/588673797.db2.gz OMDSMJOXQOQOBG-IONNQARKSA-N 1 2 239.275 1.076 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H]2CCC(=O)O2)n1 ZINC000852217841 588673798 /nfs/dbraw/zinc/67/37/98/588673798.db2.gz OMDSMJOXQOQOBG-IONNQARKSA-N 1 2 239.275 1.076 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000852270821 588675145 /nfs/dbraw/zinc/67/51/45/588675145.db2.gz SNMKCXPHKMETNF-NXEZZACHSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000852270821 588675146 /nfs/dbraw/zinc/67/51/46/588675146.db2.gz SNMKCXPHKMETNF-NXEZZACHSA-N 1 2 236.319 1.740 20 0 BDADLO CC(C)COC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000852288278 588675813 /nfs/dbraw/zinc/67/58/13/588675813.db2.gz MPBGKSQQSCHWSV-UHFFFAOYSA-N 1 2 225.292 1.041 20 0 BDADLO CC(C)COC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000852288278 588675814 /nfs/dbraw/zinc/67/58/14/588675814.db2.gz MPBGKSQQSCHWSV-UHFFFAOYSA-N 1 2 225.292 1.041 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000852320430 588678197 /nfs/dbraw/zinc/67/81/97/588678197.db2.gz KQDJODHVZPLWPH-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)n(C)n1 ZINC000852324283 588678798 /nfs/dbraw/zinc/67/87/98/588678798.db2.gz IFJRYCINWVLAFV-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)n(C)n1 ZINC000852324283 588678799 /nfs/dbraw/zinc/67/87/99/588678799.db2.gz IFJRYCINWVLAFV-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@H]1CCOC1=O)CC2 ZINC000852403959 588680876 /nfs/dbraw/zinc/68/08/76/588680876.db2.gz JZVISBDXWUNNRY-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@H]1CCOC1=O)CC2 ZINC000852403959 588680877 /nfs/dbraw/zinc/68/08/77/588680877.db2.gz JZVISBDXWUNNRY-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO COCC[N@H+](CCF)Cc1cnc(C)nc1 ZINC000852480403 588683674 /nfs/dbraw/zinc/68/36/74/588683674.db2.gz VNGWNJYOGLYIMQ-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnc(C)nc1 ZINC000852480403 588683675 /nfs/dbraw/zinc/68/36/75/588683675.db2.gz VNGWNJYOGLYIMQ-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@H+](CCF)Cc1cccc(C)n1 ZINC000852480485 588683758 /nfs/dbraw/zinc/68/37/58/588683758.db2.gz XOFZTVGDVBOZDY-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1cccc(C)n1 ZINC000852480485 588683759 /nfs/dbraw/zinc/68/37/59/588683759.db2.gz XOFZTVGDVBOZDY-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCCN(CCF)Cc1[nH+]ccn1C(C)C ZINC000852482710 588684641 /nfs/dbraw/zinc/68/46/41/588684641.db2.gz LIWBTRCHVQNBNU-UHFFFAOYSA-N 1 2 243.326 1.882 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](C/C(Cl)=C\Cl)CC2 ZINC000852538390 588689204 /nfs/dbraw/zinc/68/92/04/588689204.db2.gz FMZXCJJJCWTVFF-VPTUDDBQSA-N 1 2 222.115 1.762 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)CC2 ZINC000852538390 588689205 /nfs/dbraw/zinc/68/92/05/588689205.db2.gz FMZXCJJJCWTVFF-VPTUDDBQSA-N 1 2 222.115 1.762 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1cc(C)no1 ZINC000852568513 588690921 /nfs/dbraw/zinc/69/09/21/588690921.db2.gz HQQSICCEBLHVDE-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1cc(C)no1 ZINC000852568513 588690922 /nfs/dbraw/zinc/69/09/22/588690922.db2.gz HQQSICCEBLHVDE-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1cscn1 ZINC000852572417 588691048 /nfs/dbraw/zinc/69/10/48/588691048.db2.gz XAXMTZDBWXBQTK-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1cscn1 ZINC000852572417 588691049 /nfs/dbraw/zinc/69/10/49/588691049.db2.gz XAXMTZDBWXBQTK-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCOC(F)F ZINC000852578382 588691657 /nfs/dbraw/zinc/69/16/57/588691657.db2.gz LEYDKPXMKPYNOJ-SECBINFHSA-N 1 2 243.225 1.107 20 0 BDADLO O[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC000852584132 588692104 /nfs/dbraw/zinc/69/21/04/588692104.db2.gz JBGLGUAANGKJPW-BQBZGAKWSA-N 1 2 241.228 1.780 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC(c2ccon2)CC1 ZINC000852673724 588694811 /nfs/dbraw/zinc/69/48/11/588694811.db2.gz XCWHMBKWGILQPD-NSHDSACASA-N 1 2 236.271 1.170 20 0 BDADLO c1cc(C2CC[NH+](Cc3cnon3)CC2)no1 ZINC000852673120 588695133 /nfs/dbraw/zinc/69/51/33/588695133.db2.gz LXWBQCPOJRSGNP-UHFFFAOYSA-N 1 2 234.259 1.437 20 0 BDADLO CC(=O)CC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000852690868 588696300 /nfs/dbraw/zinc/69/63/00/588696300.db2.gz SVSSTACDMQZMAJ-UHFFFAOYSA-N 1 2 235.283 1.566 20 0 BDADLO CC(=O)CC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000852690868 588696301 /nfs/dbraw/zinc/69/63/01/588696301.db2.gz SVSSTACDMQZMAJ-UHFFFAOYSA-N 1 2 235.283 1.566 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@@H+]2CCOC(F)F ZINC000852708063 588697227 /nfs/dbraw/zinc/69/72/27/588697227.db2.gz PMPGEWPQTUPQMS-UHFFFAOYSA-N 1 2 249.257 1.253 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@H+]2CCOC(F)F ZINC000852708063 588697228 /nfs/dbraw/zinc/69/72/28/588697228.db2.gz PMPGEWPQTUPQMS-UHFFFAOYSA-N 1 2 249.257 1.253 20 0 BDADLO CCC[C@@H](OCC)C(=O)OCc1c[nH+]cn1C ZINC000860576228 589107121 /nfs/dbraw/zinc/10/71/21/589107121.db2.gz OVLBFBGPOWOKMG-LLVKDONJSA-N 1 2 240.303 1.669 20 0 BDADLO C[C@@H]1CC(=O)CC[C@H]1C(=O)OCC[NH+]1CCC1 ZINC000861388748 589163002 /nfs/dbraw/zinc/16/30/02/589163002.db2.gz OHCGCOZLKDUDEV-ZYHUDNBSSA-N 1 2 239.315 1.241 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]cn1C)C(F)(F)F ZINC000861752188 589176351 /nfs/dbraw/zinc/17/63/51/589176351.db2.gz AEHWGDUOXJLFKY-SSDOTTSWSA-N 1 2 249.236 1.625 20 0 BDADLO CCC(F)(F)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861764007 589176885 /nfs/dbraw/zinc/17/68/85/589176885.db2.gz HUNDVMUJSKHMPH-UHFFFAOYSA-N 1 2 229.230 1.340 20 0 BDADLO CCC(F)(F)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861764007 589176886 /nfs/dbraw/zinc/17/68/86/589176886.db2.gz HUNDVMUJSKHMPH-UHFFFAOYSA-N 1 2 229.230 1.340 20 0 BDADLO CCO[C@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000861852846 589180369 /nfs/dbraw/zinc/18/03/69/589180369.db2.gz LHMSTYLPROMYAZ-QWRGUYRKSA-N 1 2 249.314 1.259 20 0 BDADLO Cc1c(F)nccc1C[N@@H+](C)CC(=O)N(C)C ZINC000862212546 589194475 /nfs/dbraw/zinc/19/44/75/589194475.db2.gz JLQSNQHUFGIDLV-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO Cc1c(F)nccc1C[N@H+](C)CC(=O)N(C)C ZINC000862212546 589194476 /nfs/dbraw/zinc/19/44/76/589194476.db2.gz JLQSNQHUFGIDLV-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000862382672 589206719 /nfs/dbraw/zinc/20/67/19/589206719.db2.gz WBBJVZBXIOLONA-LLVKDONJSA-N 1 2 246.289 1.960 20 0 BDADLO Cc1c[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000862401233 589209181 /nfs/dbraw/zinc/20/91/81/589209181.db2.gz BKYQWEPHVJTRLA-OCAPTIKFSA-N 1 2 213.231 1.415 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000862401233 589209180 /nfs/dbraw/zinc/20/91/80/589209180.db2.gz BKYQWEPHVJTRLA-OCAPTIKFSA-N 1 2 213.231 1.415 20 0 BDADLO Cc1c(C[N@@H+]2CCc3n[nH]nc3C2)ccnc1F ZINC000862418662 589211876 /nfs/dbraw/zinc/21/18/76/589211876.db2.gz QWSNLOVICKMMQH-UHFFFAOYSA-N 1 2 247.277 1.206 20 0 BDADLO Cc1c(C[N@H+]2CCc3n[nH]nc3C2)ccnc1F ZINC000862418662 589211878 /nfs/dbraw/zinc/21/18/78/589211878.db2.gz QWSNLOVICKMMQH-UHFFFAOYSA-N 1 2 247.277 1.206 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000862502871 589217861 /nfs/dbraw/zinc/21/78/61/589217861.db2.gz ZDMFTKLHRZKYFN-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000862502871 589217862 /nfs/dbraw/zinc/21/78/62/589217862.db2.gz ZDMFTKLHRZKYFN-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO CC(C)(C)OC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000119118697 589243155 /nfs/dbraw/zinc/24/31/55/589243155.db2.gz FNSUBQYNGGBOIS-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC000862971787 589249801 /nfs/dbraw/zinc/24/98/01/589249801.db2.gz WKOZOFVVCYIONI-MVIFTORASA-N 1 2 240.347 1.036 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC000862971787 589249802 /nfs/dbraw/zinc/24/98/02/589249802.db2.gz WKOZOFVVCYIONI-MVIFTORASA-N 1 2 240.347 1.036 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC000862971789 589250311 /nfs/dbraw/zinc/25/03/11/589250311.db2.gz WKOZOFVVCYIONI-QRGHLMKCSA-N 1 2 240.347 1.036 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC000862971789 589250312 /nfs/dbraw/zinc/25/03/12/589250312.db2.gz WKOZOFVVCYIONI-QRGHLMKCSA-N 1 2 240.347 1.036 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)oc1C ZINC000119326666 589271325 /nfs/dbraw/zinc/27/13/25/589271325.db2.gz ZWGZMSRRRLJWAN-UHFFFAOYSA-N 1 2 238.331 1.854 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)oc1C ZINC000119326666 589271326 /nfs/dbraw/zinc/27/13/26/589271326.db2.gz ZWGZMSRRRLJWAN-UHFFFAOYSA-N 1 2 238.331 1.854 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1C[C@H]1C ZINC000863455434 589288421 /nfs/dbraw/zinc/28/84/21/589288421.db2.gz HNNBTZJVHXNZAC-RKDXNWHRSA-N 1 2 200.282 1.566 20 0 BDADLO C[C@H]1C[C@@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000863461018 589290282 /nfs/dbraw/zinc/29/02/82/589290282.db2.gz SPXQQOIMSJQSKD-GXSJLCMTSA-N 1 2 219.288 1.779 20 0 BDADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000863474234 589291327 /nfs/dbraw/zinc/29/13/27/589291327.db2.gz ACFOBCNFIVNHKQ-VWYCJHECSA-N 1 2 242.319 1.194 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccns2)c[nH+]1 ZINC000863608597 589303975 /nfs/dbraw/zinc/30/39/75/589303975.db2.gz OGWLCLZQUZVJTN-LURJTMIESA-N 1 2 236.300 1.666 20 0 BDADLO CC[C@H]1CC[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000119575861 589309523 /nfs/dbraw/zinc/30/95/23/589309523.db2.gz MALVCDOJTXWCCF-NSHDSACASA-N 1 2 246.314 1.185 20 0 BDADLO CC[C@H]1CC[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000119575861 589309524 /nfs/dbraw/zinc/30/95/24/589309524.db2.gz MALVCDOJTXWCCF-NSHDSACASA-N 1 2 246.314 1.185 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CCCS1 ZINC000864073520 589339540 /nfs/dbraw/zinc/33/95/40/589339540.db2.gz CVJYHYMQVLCOPU-SNVBAGLBSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC[C@H]1CCCS1 ZINC000864073520 589339541 /nfs/dbraw/zinc/33/95/41/589339541.db2.gz CVJYHYMQVLCOPU-SNVBAGLBSA-N 1 2 239.344 1.354 20 0 BDADLO C[C@]12CCCC[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC000864086556 589342331 /nfs/dbraw/zinc/34/23/31/589342331.db2.gz LEKGRBXTGUOBOL-GWCFXTLKSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@H](O)c1ccc(N2C[C@H]3COC[C@]3(C)C2)[nH+]c1 ZINC000864088394 589343068 /nfs/dbraw/zinc/34/30/68/589343068.db2.gz AMXMWZFHHMNQOM-JKOKRWQUSA-N 1 2 248.326 1.608 20 0 BDADLO CCN(C)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864810458 589394891 /nfs/dbraw/zinc/39/48/91/589394891.db2.gz CUSLFXHKUMCTFN-SECBINFHSA-N 1 2 234.290 1.442 20 0 BDADLO CCN(C)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864810458 589394892 /nfs/dbraw/zinc/39/48/92/589394892.db2.gz CUSLFXHKUMCTFN-SECBINFHSA-N 1 2 234.290 1.442 20 0 BDADLO CCCN(CC(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864813112 589395518 /nfs/dbraw/zinc/39/55/18/589395518.db2.gz ACYKBNKAYDREOX-NSHDSACASA-N 1 2 239.319 1.338 20 0 BDADLO CC/C=C(/F)C(=O)NCCn1cc[nH+]c1 ZINC000864866949 589399077 /nfs/dbraw/zinc/39/90/77/589399077.db2.gz GBKRXVZZTPNEET-YCRREMRBSA-N 1 2 211.240 1.263 20 0 BDADLO CC(C)NC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374796 589428382 /nfs/dbraw/zinc/42/83/82/589428382.db2.gz LBSVFGUHINMUED-UHFFFAOYSA-N 1 2 223.320 1.705 20 0 BDADLO Cc1nc(NC[C@H]2CC2(Cl)Cl)nc(N)[nH+]1 ZINC000865411225 589434412 /nfs/dbraw/zinc/43/44/12/589434412.db2.gz UEFZXSPFCVDIAN-RXMQYKEDSA-N 1 2 248.117 1.368 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CC2(Cl)Cl)[nH+]1 ZINC000865411225 589434413 /nfs/dbraw/zinc/43/44/13/589434413.db2.gz UEFZXSPFCVDIAN-RXMQYKEDSA-N 1 2 248.117 1.368 20 0 BDADLO COc1cncc(C[NH2+]Cc2ccon2)c1C ZINC000865480822 589440050 /nfs/dbraw/zinc/44/00/50/589440050.db2.gz HJZZQLVUOHSYRG-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO c1cc(CNCc2cn(C3CC3)c[nH+]2)no1 ZINC000865481660 589440578 /nfs/dbraw/zinc/44/05/78/589440578.db2.gz SCYLWHKMNQYZFP-UHFFFAOYSA-N 1 2 218.260 1.496 20 0 BDADLO CC(F)(F)CNCc1cn(C2CC2)c[nH+]1 ZINC000865580136 589445208 /nfs/dbraw/zinc/44/52/08/589445208.db2.gz SPGBBRJBSGEGAC-UHFFFAOYSA-N 1 2 215.247 1.963 20 0 BDADLO Cn1ncc2cc(C[NH2+]CC(C)(F)F)cnc21 ZINC000865580223 589448445 /nfs/dbraw/zinc/44/84/45/589448445.db2.gz WGRROCBQUCSLSJ-UHFFFAOYSA-N 1 2 240.257 1.713 20 0 BDADLO CC[C@]1(O)CCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865690681 589456129 /nfs/dbraw/zinc/45/61/29/589456129.db2.gz LIDXVEHNEJNCOC-MFKMUULPSA-N 1 2 236.315 1.486 20 0 BDADLO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000865700111 589457510 /nfs/dbraw/zinc/45/75/10/589457510.db2.gz UIMQJTQJGPSHDT-GHMZBOCLSA-N 1 2 223.320 1.439 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H](C)c2ncnn2C)[nH+]c1 ZINC000865720539 589458225 /nfs/dbraw/zinc/45/82/25/589458225.db2.gz IMAAWFOUNIMECZ-DTWKUNHWSA-N 1 2 247.302 1.437 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccnn2C)nn1C ZINC000865837861 589464182 /nfs/dbraw/zinc/46/41/82/589464182.db2.gz LYXNGDJMMSHEBW-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO c1cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)[nH]n1 ZINC000865857896 589465282 /nfs/dbraw/zinc/46/52/82/589465282.db2.gz ZOSDWNPRUHDSCX-LBPRGKRZSA-N 1 2 235.331 1.991 20 0 BDADLO CC(=O)c1cccc(NCCc2cn(C)c[nH+]2)n1 ZINC000865869271 589466171 /nfs/dbraw/zinc/46/61/71/589466171.db2.gz CMYZAIHGPHCURH-UHFFFAOYSA-N 1 2 244.298 1.672 20 0 BDADLO CC(C)Cc1cc(NC[C@@H]2COCO2)nc[nH+]1 ZINC000865873343 589466318 /nfs/dbraw/zinc/46/63/18/589466318.db2.gz XECIZLVHWVDNIE-LLVKDONJSA-N 1 2 237.303 1.460 20 0 BDADLO CC/C=C(/F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878520 589466979 /nfs/dbraw/zinc/46/69/79/589466979.db2.gz QEHPNNGHDKIKPL-XCVCLJGOSA-N 1 2 223.251 1.530 20 0 BDADLO C[C@H](O)c1ccc(N(C)[C@@H](C)CCO)[nH+]c1 ZINC000865912884 589468107 /nfs/dbraw/zinc/46/81/07/589468107.db2.gz XCAISMLXIVXFRK-UWVGGRQHSA-N 1 2 224.304 1.342 20 0 BDADLO Cc1nnc(CN(C)c2ccc([C@@H](C)O)c[nH+]2)o1 ZINC000865940087 589469543 /nfs/dbraw/zinc/46/95/43/589469543.db2.gz PKRUOCZRDSVDQB-MRVPVSSYSA-N 1 2 248.286 1.463 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@@H]2[C@H](C)O)[nH+]c1 ZINC000865944459 589469653 /nfs/dbraw/zinc/46/96/53/589469653.db2.gz XQEZLKFBGOQDEZ-JFGNBEQYSA-N 1 2 236.315 1.485 20 0 BDADLO C[C@H](O)c1ccc(N2CCC3(COC3)C2)[nH+]c1 ZINC000865952817 589469995 /nfs/dbraw/zinc/46/99/95/589469995.db2.gz RJDYAYFXMRWQTM-JTQLQIEISA-N 1 2 234.299 1.362 20 0 BDADLO CCC(C)(C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865954955 589470293 /nfs/dbraw/zinc/47/02/93/589470293.db2.gz ILPIPNZCEPTASP-SECBINFHSA-N 1 2 225.292 1.090 20 0 BDADLO CC/C=C(\F)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866002234 589471937 /nfs/dbraw/zinc/47/19/37/589471937.db2.gz PLIRFLOLYOMBDL-ZQJWYQMXSA-N 1 2 239.294 1.899 20 0 BDADLO CC(C)N(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCC1 ZINC000866017886 589472808 /nfs/dbraw/zinc/47/28/08/589472808.db2.gz AIEBRJGADQRJDV-LLVKDONJSA-N 1 2 237.303 1.233 20 0 BDADLO c1ccc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)[nH+]c1 ZINC000866045420 589473696 /nfs/dbraw/zinc/47/36/96/589473696.db2.gz METVOQLEWXIMIP-CXWACVEQSA-N 1 2 216.284 1.917 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H]1C ZINC000866054794 589474068 /nfs/dbraw/zinc/47/40/68/589474068.db2.gz KADHVXPDPYYCOF-KKZNHRDASA-N 1 2 237.303 1.090 20 0 BDADLO CO[C@H]1CC[C@@H](C)N(c2cc[nH+]c(C)n2)C1 ZINC000866070680 589474981 /nfs/dbraw/zinc/47/49/81/589474981.db2.gz KNISPXSLHZSVIJ-KOLCDFICSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1cc[nH+]c(NC[C@H](O)[C@H](C)O)c1Cl ZINC000866110206 589475286 /nfs/dbraw/zinc/47/52/86/589475286.db2.gz MMBGUJAQASZULQ-YUMQZZPRSA-N 1 2 230.695 1.197 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000866097417 589475881 /nfs/dbraw/zinc/47/58/81/589475881.db2.gz JVIMJOIUCTXNQN-ZMLRMANQSA-N 1 2 249.314 1.234 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866162103 589478527 /nfs/dbraw/zinc/47/85/27/589478527.db2.gz JQQACYZYZGKSPZ-AOOOYVTPSA-N 1 2 246.314 1.470 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866162103 589478528 /nfs/dbraw/zinc/47/85/28/589478528.db2.gz JQQACYZYZGKSPZ-AOOOYVTPSA-N 1 2 246.314 1.470 20 0 BDADLO Cc1nc(N2C[C@H](O)CC(C)(C)C2)cc[nH+]1 ZINC000866226654 589481655 /nfs/dbraw/zinc/48/16/55/589481655.db2.gz NPTDTXDTOPXIHH-SNVBAGLBSA-N 1 2 221.304 1.382 20 0 BDADLO Cc1nc(N[C@H](C)c2ccnn2C)cc[nH+]1 ZINC000866251514 589482914 /nfs/dbraw/zinc/48/29/14/589482914.db2.gz NGHYPLMKKWGYIR-MRVPVSSYSA-N 1 2 217.276 1.692 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccnn1C ZINC000866614517 589505197 /nfs/dbraw/zinc/50/51/97/589505197.db2.gz MSXJSWDHRKNNGJ-DCAQKATOSA-N 1 2 245.330 1.973 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccnn1C ZINC000866613222 589505224 /nfs/dbraw/zinc/50/52/24/589505224.db2.gz GLWYWVFFHDLPOO-KOLCDFICSA-N 1 2 245.330 1.871 20 0 BDADLO COC[C@@H](C)OC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000867494330 589522418 /nfs/dbraw/zinc/52/24/18/589522418.db2.gz BMCBNJOGERKEAS-MRVPVSSYSA-N 1 2 227.264 1.013 20 0 BDADLO COC[C@@H](C)OC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000867494330 589522420 /nfs/dbraw/zinc/52/24/20/589522420.db2.gz BMCBNJOGERKEAS-MRVPVSSYSA-N 1 2 227.264 1.013 20 0 BDADLO COC[C@@H](C)OC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000867533644 589524803 /nfs/dbraw/zinc/52/48/03/589524803.db2.gz OSYRXUBWNDOAKD-BDAKNGLRSA-N 1 2 241.291 1.242 20 0 BDADLO CCCn1cc(NCc2c[nH+]cn2C)cn1 ZINC000121722973 589528738 /nfs/dbraw/zinc/52/87/38/589528738.db2.gz MFKLQDIPONXLTK-UHFFFAOYSA-N 1 2 219.292 1.639 20 0 BDADLO CC(C)(CNC(=O)OC1CCC1)n1cc[nH+]c1 ZINC000867723819 589532367 /nfs/dbraw/zinc/53/23/67/589532367.db2.gz LVTSNROXHUPUTG-UHFFFAOYSA-N 1 2 237.303 1.897 20 0 BDADLO O=C(NCCF)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000868000432 589543480 /nfs/dbraw/zinc/54/34/80/589543480.db2.gz PYVUBBFQPPAHCX-QMMMGPOBSA-N 1 2 238.253 1.049 20 0 BDADLO O=C(NCCF)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000868000432 589543482 /nfs/dbraw/zinc/54/34/82/589543482.db2.gz PYVUBBFQPPAHCX-QMMMGPOBSA-N 1 2 238.253 1.049 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC(C)(F)F ZINC000868657031 589570454 /nfs/dbraw/zinc/57/04/54/589570454.db2.gz KRWLPKRWVAPAPL-UHFFFAOYSA-N 1 2 246.261 1.265 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000868697530 589573287 /nfs/dbraw/zinc/57/32/87/589573287.db2.gz BVLVQOJHRFWBJZ-CZRQKWQQSA-N 1 2 223.251 1.187 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869101776 589589217 /nfs/dbraw/zinc/58/92/17/589589217.db2.gz QKADRUJUBJDEDA-XXVIQQQLSA-N 1 2 237.278 1.578 20 0 BDADLO CCCCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000869410797 589604268 /nfs/dbraw/zinc/60/42/68/589604268.db2.gz NXBLALDVXISBDG-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCCCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000869410797 589604269 /nfs/dbraw/zinc/60/42/69/589604269.db2.gz NXBLALDVXISBDG-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO COc1cncc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000869756585 589627541 /nfs/dbraw/zinc/62/75/41/589627541.db2.gz OTLBFZXTPSPMEF-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000869887037 589635617 /nfs/dbraw/zinc/63/56/17/589635617.db2.gz IDQZCTSWVFJFBR-KXNHARMFSA-N 1 2 234.299 1.718 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000122914140 589643718 /nfs/dbraw/zinc/64/37/18/589643718.db2.gz FOYIURFRYLWJFQ-JTQLQIEISA-N 1 2 231.361 1.623 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000870220392 589650037 /nfs/dbraw/zinc/65/00/37/589650037.db2.gz VSHVVKMWKHPTIS-SASUGWTJSA-N 1 2 234.299 1.755 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1nocc1C ZINC000870360121 589660707 /nfs/dbraw/zinc/66/07/07/589660707.db2.gz JNNHWEKELGCATK-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000871021113 589714105 /nfs/dbraw/zinc/71/41/05/589714105.db2.gz AXLYFHFWXYZQEQ-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CCCS1 ZINC000871037937 589717667 /nfs/dbraw/zinc/71/76/67/589717667.db2.gz MPXYZOFHRVGAMZ-SECBINFHSA-N 1 2 239.344 1.354 20 0 BDADLO Cc1[nH]c(C(=O)NC2CC3(CSC3)C2)c[nH+]1 ZINC000871511236 589761969 /nfs/dbraw/zinc/76/19/69/589761969.db2.gz JMIQKXBLXMRBKS-UHFFFAOYSA-N 1 2 237.328 1.344 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871521022 589764094 /nfs/dbraw/zinc/76/40/94/589764094.db2.gz LZPZOBHZNDADLW-TXEJJXNPSA-N 1 2 245.326 1.387 20 0 BDADLO CC[S@@](=O)Cc1[nH+]ccn1CC(F)F ZINC000871608372 589775550 /nfs/dbraw/zinc/77/55/50/589775550.db2.gz CZCQFPZAAIMOMU-CQSZACIVSA-N 1 2 222.260 1.417 20 0 BDADLO FC(F)Cn1cc[nH+]c1CSc1cn[nH]n1 ZINC000871656584 589783213 /nfs/dbraw/zinc/78/32/13/589783213.db2.gz PGYPOYPZFOITHM-UHFFFAOYSA-N 1 2 245.258 1.559 20 0 BDADLO FC(F)Cn1cc[nH+]c1CSc1c[nH]nn1 ZINC000871656584 589783215 /nfs/dbraw/zinc/78/32/15/589783215.db2.gz PGYPOYPZFOITHM-UHFFFAOYSA-N 1 2 245.258 1.559 20 0 BDADLO CC[S@](=O)CCNc1cc(C(C)C)[nH+]cn1 ZINC000123724236 589786172 /nfs/dbraw/zinc/78/61/72/589786172.db2.gz WMWZHUVMGNKIDX-MRXNPFEDSA-N 1 2 241.360 1.781 20 0 BDADLO C[C@H]1OCC[C@@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000871737313 589802199 /nfs/dbraw/zinc/80/21/99/589802199.db2.gz FCFAKDLPCLEGEN-ZYHUDNBSSA-N 1 2 249.314 1.548 20 0 BDADLO COCCCCCO[NH+]=C(N)COC1CCC1 ZINC000871776059 589814064 /nfs/dbraw/zinc/81/40/64/589814064.db2.gz QQKVJZGIBGTKEK-UHFFFAOYSA-N 1 2 244.335 1.871 20 0 BDADLO NC(COC1CCC1)=[NH+]OCCOC1CCC1 ZINC000871778754 589814848 /nfs/dbraw/zinc/81/48/48/589814848.db2.gz VMPCOBJOAOMTTH-UHFFFAOYSA-N 1 2 242.319 1.623 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000871925878 589833243 /nfs/dbraw/zinc/83/32/43/589833243.db2.gz FOLQOUVJNHSWQO-IUCAKERBSA-N 1 2 249.318 1.777 20 0 BDADLO Cc1[nH+]c2ccccc2n1C[C@@H](O)CC(C)(C)O ZINC000871963922 589847528 /nfs/dbraw/zinc/84/75/28/589847528.db2.gz MBXOQNMSVHWRDG-NSHDSACASA-N 1 2 248.326 1.867 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000872129974 589877429 /nfs/dbraw/zinc/87/74/29/589877429.db2.gz CJAZVPHHKRYRCK-ONGXEEELSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1c(F)ncnc1NCCNc1cccc[nH+]1 ZINC000872393965 589932067 /nfs/dbraw/zinc/93/20/67/589932067.db2.gz LQNCKZBBAQOFTA-UHFFFAOYSA-N 1 2 247.277 1.843 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000872405035 589935357 /nfs/dbraw/zinc/93/53/57/589935357.db2.gz FRZGTTWMTFYMNM-ZETCQYMHSA-N 1 2 231.246 1.370 20 0 BDADLO O=C1N(C[N@@H+]2CCCOCC2)CCC12CCC2 ZINC000872573444 589953489 /nfs/dbraw/zinc/95/34/89/589953489.db2.gz BEBBAYUKGHBUOU-UHFFFAOYSA-N 1 2 238.331 1.069 20 0 BDADLO O=C1N(C[N@H+]2CCCOCC2)CCC12CCC2 ZINC000872573444 589953491 /nfs/dbraw/zinc/95/34/91/589953491.db2.gz BEBBAYUKGHBUOU-UHFFFAOYSA-N 1 2 238.331 1.069 20 0 BDADLO Cc1cc(NCCC[C@H]2CCOC2=O)nc[nH+]1 ZINC000872701615 589962911 /nfs/dbraw/zinc/96/29/11/589962911.db2.gz FEJCGMRNJWSGHX-JTQLQIEISA-N 1 2 235.287 1.540 20 0 BDADLO O[C@H]1C[C@H](CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000872720718 589964801 /nfs/dbraw/zinc/96/48/01/589964801.db2.gz YCKLOKDSQZCKPI-XYPYZODXSA-N 1 2 248.330 1.260 20 0 BDADLO O[C@H]1C[C@H](CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000872720718 589964802 /nfs/dbraw/zinc/96/48/02/589964802.db2.gz YCKLOKDSQZCKPI-XYPYZODXSA-N 1 2 248.330 1.260 20 0 BDADLO CO[C@H](C[NH2+]Cc1ccon1)C(F)(F)F ZINC000873050619 589981142 /nfs/dbraw/zinc/98/11/42/589981142.db2.gz YTWMEQILQUHQFL-SSDOTTSWSA-N 1 2 224.182 1.342 20 0 BDADLO CCc1cc(C[NH2+]Cc2ccon2)[nH]n1 ZINC000873050003 589981672 /nfs/dbraw/zinc/98/16/72/589981672.db2.gz OSEHHQDWPNIELF-UHFFFAOYSA-N 1 2 206.249 1.250 20 0 BDADLO CCC[C@@H](CC)C(=O)NCC[NH+]1CCOCC1 ZINC000873743068 590070524 /nfs/dbraw/zinc/07/05/24/590070524.db2.gz VFWPNTSKDKRWDF-GFCCVEGCSA-N 1 2 242.363 1.261 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)no1 ZINC000873843727 590074574 /nfs/dbraw/zinc/07/45/74/590074574.db2.gz ZOPKLWTTZDOIQU-LLVKDONJSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)no1 ZINC000873843727 590074577 /nfs/dbraw/zinc/07/45/77/590074577.db2.gz ZOPKLWTTZDOIQU-LLVKDONJSA-N 1 2 249.314 1.938 20 0 BDADLO O=C(NC1=[NH+]CCS1)C1CCC=CCC1 ZINC000873838298 590075025 /nfs/dbraw/zinc/07/50/25/590075025.db2.gz RKTISYPBNYTJFW-UHFFFAOYSA-N 1 2 224.329 1.952 20 0 BDADLO COC[C@@H](C)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000124761374 590084097 /nfs/dbraw/zinc/08/40/97/590084097.db2.gz QIMYYTPLKBETEK-ZJUUUORDSA-N 1 2 247.360 1.002 20 0 BDADLO C[C@@H](O)c1ccc(N2CCOC[C@@H]2C)[nH+]c1 ZINC000124914681 590099024 /nfs/dbraw/zinc/09/90/24/590099024.db2.gz MHWGEYRPLLGNRC-VHSXEESVSA-N 1 2 222.288 1.360 20 0 BDADLO C[C@H](O)c1ccc(N2CCCOCC2)[nH+]c1 ZINC000124938081 590102897 /nfs/dbraw/zinc/10/28/97/590102897.db2.gz CXKZSPHKXVAKCZ-JTQLQIEISA-N 1 2 222.288 1.362 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000874776426 590128866 /nfs/dbraw/zinc/12/88/66/590128866.db2.gz CBUPDWJKRXAWDL-WDEREUQCSA-N 1 2 245.326 1.504 20 0 BDADLO CCOC1CC2(C[C@H]2NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000874798638 590137884 /nfs/dbraw/zinc/13/78/84/590137884.db2.gz LIKXHMDHLNPWSV-DMLGSKKGSA-N 1 2 249.314 1.406 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875584311 590166074 /nfs/dbraw/zinc/16/60/74/590166074.db2.gz ZVGDPVGSQCPTCV-MWLCHTKSSA-N 1 2 248.330 1.296 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000876815017 590245955 /nfs/dbraw/zinc/24/59/55/590245955.db2.gz MFFPYIRCQHXSEY-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000876815017 590245956 /nfs/dbraw/zinc/24/59/56/590245956.db2.gz MFFPYIRCQHXSEY-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)[C@@H]1CO ZINC000877464907 590333929 /nfs/dbraw/zinc/33/39/29/590333929.db2.gz OTQAPXVBKXAVQZ-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)[C@@H]1CO ZINC000877464907 590333932 /nfs/dbraw/zinc/33/39/32/590333932.db2.gz OTQAPXVBKXAVQZ-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000877469482 590335079 /nfs/dbraw/zinc/33/50/79/590335079.db2.gz OGZYCUPXOXOWJR-SDDRHHMPSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000877469484 590335371 /nfs/dbraw/zinc/33/53/71/590335371.db2.gz OGZYCUPXOXOWJR-WOPDTQHZSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877476617 590335957 /nfs/dbraw/zinc/33/59/57/590335957.db2.gz JAAFJAHMXWDSLZ-WDSKDSINSA-N 1 2 226.103 1.331 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877476914 590336110 /nfs/dbraw/zinc/33/61/10/590336110.db2.gz QWAHCGBAVWTPOH-LBPRGKRZSA-N 1 2 235.327 1.997 20 0 BDADLO CC1(C)C[N@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000877486640 590338533 /nfs/dbraw/zinc/33/85/33/590338533.db2.gz OYGDLRKERTXJMT-ZETCQYMHSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000877486640 590338537 /nfs/dbraw/zinc/33/85/37/590338537.db2.gz OYGDLRKERTXJMT-ZETCQYMHSA-N 1 2 246.763 1.999 20 0 BDADLO CCCn1cc(C[NH+]2[C@H](C)C[C@H]2C)nn1 ZINC000877488109 590339349 /nfs/dbraw/zinc/33/93/49/590339349.db2.gz XTRVXAVLAKLFSP-NXEZZACHSA-N 1 2 208.309 1.671 20 0 BDADLO O=c1ccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c[nH]1 ZINC000877502750 590343068 /nfs/dbraw/zinc/34/30/68/590343068.db2.gz RIOUMIJKJVOHDD-SECBINFHSA-N 1 2 244.241 1.253 20 0 BDADLO O=c1ccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c[nH]1 ZINC000877502750 590343071 /nfs/dbraw/zinc/34/30/71/590343071.db2.gz RIOUMIJKJVOHDD-SECBINFHSA-N 1 2 244.241 1.253 20 0 BDADLO COc1cc(C[NH+]2CC3(CC3)C2)sn1 ZINC000877555822 590356499 /nfs/dbraw/zinc/35/64/99/590356499.db2.gz CYFXKMGUJWAIDZ-UHFFFAOYSA-N 1 2 210.302 1.748 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000877571855 590363271 /nfs/dbraw/zinc/36/32/71/590363271.db2.gz KMWJYTZUSFWJRN-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000877571855 590363273 /nfs/dbraw/zinc/36/32/73/590363273.db2.gz KMWJYTZUSFWJRN-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000877581207 590365262 /nfs/dbraw/zinc/36/52/62/590365262.db2.gz QMXWIFRJXSRYKZ-UHFFFAOYSA-N 1 2 241.722 1.333 20 0 BDADLO CCONC(=O)C[NH2+]CC1(C)CCCC1 ZINC000877613624 590373227 /nfs/dbraw/zinc/37/32/27/590373227.db2.gz NYQMGRZUVHBUMW-UHFFFAOYSA-N 1 2 214.309 1.224 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000877614474 590373458 /nfs/dbraw/zinc/37/34/58/590373458.db2.gz FBBMYEMSQFYAPG-AOOOYVTPSA-N 1 2 242.273 1.385 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000877614474 590373459 /nfs/dbraw/zinc/37/34/59/590373459.db2.gz FBBMYEMSQFYAPG-AOOOYVTPSA-N 1 2 242.273 1.385 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1ccns1 ZINC000877632175 590378306 /nfs/dbraw/zinc/37/83/06/590378306.db2.gz QROXVCGUEODVCK-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1ccns1 ZINC000877632175 590378309 /nfs/dbraw/zinc/37/83/09/590378309.db2.gz QROXVCGUEODVCK-UHFFFAOYSA-N 1 2 243.332 1.273 20 0 BDADLO Cn1ncc(C[NH+]2CC(c3ccccc3)C2)n1 ZINC000877665599 590388783 /nfs/dbraw/zinc/38/87/83/590388783.db2.gz CEZSKZPVGKEVFP-UHFFFAOYSA-N 1 2 228.299 1.415 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)no1 ZINC000877693679 590392623 /nfs/dbraw/zinc/39/26/23/590392623.db2.gz NSKMYRMWEKCPCZ-XPUUQOCRSA-N 1 2 238.209 1.384 20 0 BDADLO CC1([NH2+]Cc2cc(F)ncc2F)COC1 ZINC000877691762 590392903 /nfs/dbraw/zinc/39/29/03/590392903.db2.gz VUMNXYXPPADSAL-UHFFFAOYSA-N 1 2 214.215 1.238 20 0 BDADLO CC(C)(C)OC1C[NH+](CC2(F)CC2)C1 ZINC000877769599 590418963 /nfs/dbraw/zinc/41/89/63/590418963.db2.gz FNHHQCNNUDQUSR-UHFFFAOYSA-N 1 2 201.285 1.988 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)nn1 ZINC000877812428 590427165 /nfs/dbraw/zinc/42/71/65/590427165.db2.gz PVCAFFYRXHCGGT-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)nn1 ZINC000877812428 590427166 /nfs/dbraw/zinc/42/71/66/590427166.db2.gz PVCAFFYRXHCGGT-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO O=C1C[N@H+](CC[C@@H]2CCCC2(F)F)CCN1 ZINC000877905909 590444411 /nfs/dbraw/zinc/44/44/11/590444411.db2.gz FJPJVABZPJLWNJ-VIFPVBQESA-N 1 2 232.274 1.244 20 0 BDADLO O=C1C[N@@H+](CC[C@@H]2CCCC2(F)F)CCN1 ZINC000877905909 590444412 /nfs/dbraw/zinc/44/44/12/590444412.db2.gz FJPJVABZPJLWNJ-VIFPVBQESA-N 1 2 232.274 1.244 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2nocc2C)C1 ZINC000877970382 590462485 /nfs/dbraw/zinc/46/24/85/590462485.db2.gz MPNOZXNWEJDRSB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2nocc2C)C1 ZINC000877970382 590462486 /nfs/dbraw/zinc/46/24/86/590462486.db2.gz MPNOZXNWEJDRSB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCCSC(C)(C)C ZINC000878040764 590478521 /nfs/dbraw/zinc/47/85/21/590478521.db2.gz NQUNRJZBJHGGSB-SNVBAGLBSA-N 1 2 244.404 1.729 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCSC(C)(C)C ZINC000878040764 590478524 /nfs/dbraw/zinc/47/85/24/590478524.db2.gz NQUNRJZBJHGGSB-SNVBAGLBSA-N 1 2 244.404 1.729 20 0 BDADLO C[N@H+](Cc1nccn1CC(F)F)[C@@H]1CCOC1 ZINC000878083762 590488614 /nfs/dbraw/zinc/48/86/14/590488614.db2.gz FTRMFOAWNLQPPV-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO C[N@@H+](Cc1nccn1CC(F)F)[C@@H]1CCOC1 ZINC000878083762 590488615 /nfs/dbraw/zinc/48/86/15/590488615.db2.gz FTRMFOAWNLQPPV-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO Cc1conc1C[N@H+]1CCSC[C@H]1C ZINC000878122023 590499614 /nfs/dbraw/zinc/49/96/14/590499614.db2.gz VUKMRNLTLPEWOR-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1conc1C[N@@H+]1CCSC[C@H]1C ZINC000878122023 590499615 /nfs/dbraw/zinc/49/96/15/590499615.db2.gz VUKMRNLTLPEWOR-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](C)Cc1ccon1 ZINC000878126229 590502117 /nfs/dbraw/zinc/50/21/17/590502117.db2.gz VEZSNIJQNOIBCI-LLVKDONJSA-N 1 2 212.293 1.513 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1ccon1 ZINC000878126229 590502118 /nfs/dbraw/zinc/50/21/18/590502118.db2.gz VEZSNIJQNOIBCI-LLVKDONJSA-N 1 2 212.293 1.513 20 0 BDADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878156152 590508965 /nfs/dbraw/zinc/50/89/65/590508965.db2.gz IXQWFSQZUUVCHQ-NXEZZACHSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878156152 590508967 /nfs/dbraw/zinc/50/89/67/590508967.db2.gz IXQWFSQZUUVCHQ-NXEZZACHSA-N 1 2 246.376 1.361 20 0 BDADLO Cc1conc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000878201688 590523962 /nfs/dbraw/zinc/52/39/62/590523962.db2.gz DHOVJVXDBQRVLH-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1conc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000878201688 590523963 /nfs/dbraw/zinc/52/39/63/590523963.db2.gz DHOVJVXDBQRVLH-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878291945 590534923 /nfs/dbraw/zinc/53/49/23/590534923.db2.gz RRCMOTIPYNNTET-LBPRGKRZSA-N 1 2 247.342 1.727 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878291945 590534925 /nfs/dbraw/zinc/53/49/25/590534925.db2.gz RRCMOTIPYNNTET-LBPRGKRZSA-N 1 2 247.342 1.727 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878291945 590534927 /nfs/dbraw/zinc/53/49/27/590534927.db2.gz RRCMOTIPYNNTET-LBPRGKRZSA-N 1 2 247.342 1.727 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878291945 590534929 /nfs/dbraw/zinc/53/49/29/590534929.db2.gz RRCMOTIPYNNTET-LBPRGKRZSA-N 1 2 247.342 1.727 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878290511 590535829 /nfs/dbraw/zinc/53/58/29/590535829.db2.gz AEBNNRAZHWVOQR-GFCCVEGCSA-N 1 2 247.342 1.870 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878290511 590535831 /nfs/dbraw/zinc/53/58/31/590535831.db2.gz AEBNNRAZHWVOQR-GFCCVEGCSA-N 1 2 247.342 1.870 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878290511 590535833 /nfs/dbraw/zinc/53/58/33/590535833.db2.gz AEBNNRAZHWVOQR-GFCCVEGCSA-N 1 2 247.342 1.870 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878290511 590535835 /nfs/dbraw/zinc/53/58/35/590535835.db2.gz AEBNNRAZHWVOQR-GFCCVEGCSA-N 1 2 247.342 1.870 20 0 BDADLO FC(F)C[N@H+](CCn1cnnn1)CC1CCC1 ZINC000878323361 590546589 /nfs/dbraw/zinc/54/65/89/590546589.db2.gz WAZPVOJOFHCQRG-UHFFFAOYSA-N 1 2 245.277 1.040 20 0 BDADLO FC(F)C[N@@H+](CCn1cnnn1)CC1CCC1 ZINC000878323361 590546591 /nfs/dbraw/zinc/54/65/91/590546591.db2.gz WAZPVOJOFHCQRG-UHFFFAOYSA-N 1 2 245.277 1.040 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000878406382 590561496 /nfs/dbraw/zinc/56/14/96/590561496.db2.gz TWKDVEYVGYNAEL-PSLIRLAXSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1conc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000878406382 590561498 /nfs/dbraw/zinc/56/14/98/590561498.db2.gz TWKDVEYVGYNAEL-PSLIRLAXSA-N 1 2 230.333 1.182 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CCC(F)(F)C1 ZINC000878379421 590554515 /nfs/dbraw/zinc/55/45/15/590554515.db2.gz KNGSZEDHPXJYLD-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CCC(F)(F)C1 ZINC000878379421 590554516 /nfs/dbraw/zinc/55/45/16/590554516.db2.gz KNGSZEDHPXJYLD-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1ccccn1 ZINC000878372588 590556112 /nfs/dbraw/zinc/55/61/12/590556112.db2.gz CZWCDIOADONYCP-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1ccccn1 ZINC000878372588 590556114 /nfs/dbraw/zinc/55/61/14/590556114.db2.gz CZWCDIOADONYCP-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[N@H+](Cc1nccn1CC(F)F)C1CC(O)C1 ZINC000878430384 590566124 /nfs/dbraw/zinc/56/61/24/590566124.db2.gz FCYSLTYCRPIEAL-UHFFFAOYSA-N 1 2 245.273 1.103 20 0 BDADLO C[N@@H+](Cc1nccn1CC(F)F)C1CC(O)C1 ZINC000878430384 590566127 /nfs/dbraw/zinc/56/61/27/590566127.db2.gz FCYSLTYCRPIEAL-UHFFFAOYSA-N 1 2 245.273 1.103 20 0 BDADLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878453607 590569234 /nfs/dbraw/zinc/56/92/34/590569234.db2.gz VZIZSCDMRIYFJF-NXEZZACHSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878453607 590569236 /nfs/dbraw/zinc/56/92/36/590569236.db2.gz VZIZSCDMRIYFJF-NXEZZACHSA-N 1 2 246.376 1.361 20 0 BDADLO Cc1conc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000878481236 590576760 /nfs/dbraw/zinc/57/67/60/590576760.db2.gz BXBHFHVIWJAZSS-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000878481236 590576762 /nfs/dbraw/zinc/57/67/62/590576762.db2.gz BXBHFHVIWJAZSS-DCAQKATOSA-N 1 2 224.304 1.981 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000878492353 590579603 /nfs/dbraw/zinc/57/96/03/590579603.db2.gz GXPQNUVTVKUXRQ-IUCAKERBSA-N 1 2 235.274 1.915 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000878492353 590579604 /nfs/dbraw/zinc/57/96/04/590579604.db2.gz GXPQNUVTVKUXRQ-IUCAKERBSA-N 1 2 235.274 1.915 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000878493495 590579645 /nfs/dbraw/zinc/57/96/45/590579645.db2.gz MSYRYBSAAUNPNS-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000878493495 590579647 /nfs/dbraw/zinc/57/96/47/590579647.db2.gz MSYRYBSAAUNPNS-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000878504253 590581351 /nfs/dbraw/zinc/58/13/51/590581351.db2.gz YHDBQLCQPKEIEV-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000878504253 590581353 /nfs/dbraw/zinc/58/13/53/590581353.db2.gz YHDBQLCQPKEIEV-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO CC1(C)CO[C@@H](C[N@@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000878561780 590592254 /nfs/dbraw/zinc/59/22/54/590592254.db2.gz QOYUHQNUNMZKNG-ZJUUUORDSA-N 1 2 249.301 1.767 20 0 BDADLO CC1(C)CO[C@@H](C[N@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000878561780 590592256 /nfs/dbraw/zinc/59/22/56/590592256.db2.gz QOYUHQNUNMZKNG-ZJUUUORDSA-N 1 2 249.301 1.767 20 0 BDADLO C[C@@]1([NH2+]C[C@@H]2CCC(C)(C)CO2)CCOC1=O ZINC000878632034 590598441 /nfs/dbraw/zinc/59/84/41/590598441.db2.gz MIMNKBXOYZWLCA-GXFFZTMASA-N 1 2 241.331 1.487 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000878645975 590600944 /nfs/dbraw/zinc/60/09/44/590600944.db2.gz QWJNGJXCRUHVOW-SNVBAGLBSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1conc1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000878645975 590600945 /nfs/dbraw/zinc/60/09/45/590600945.db2.gz QWJNGJXCRUHVOW-SNVBAGLBSA-N 1 2 237.303 1.036 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2CC(F)F)[C@H]1C ZINC000878651651 590602246 /nfs/dbraw/zinc/60/22/46/590602246.db2.gz CGBRJLYYMITDCO-IUCAKERBSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2CC(F)F)[C@H]1C ZINC000878651651 590602247 /nfs/dbraw/zinc/60/22/47/590602247.db2.gz CGBRJLYYMITDCO-IUCAKERBSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2CC(F)F)[C@H]1C ZINC000878651651 590602248 /nfs/dbraw/zinc/60/22/48/590602248.db2.gz CGBRJLYYMITDCO-IUCAKERBSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@@H]1[C@H](C)C[N@H+](CC(=O)N=S(C)(C)=O)[C@H]1C ZINC000878718595 590615202 /nfs/dbraw/zinc/61/52/02/590615202.db2.gz VGUDFDKCAWIXRR-BBBLOLIVSA-N 1 2 246.376 1.217 20 0 BDADLO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N=S(C)(C)=O)[C@H]1C ZINC000878718595 590615203 /nfs/dbraw/zinc/61/52/03/590615203.db2.gz VGUDFDKCAWIXRR-BBBLOLIVSA-N 1 2 246.376 1.217 20 0 BDADLO O=S1(=O)CC[C@H](C[N@H+]2CCC=C(Cl)C2)C1 ZINC000878791174 590623125 /nfs/dbraw/zinc/62/31/25/590623125.db2.gz IBGOLFZXXCVGGN-SECBINFHSA-N 1 2 249.763 1.250 20 0 BDADLO O=S1(=O)CC[C@H](C[N@@H+]2CCC=C(Cl)C2)C1 ZINC000878791174 590623126 /nfs/dbraw/zinc/62/31/26/590623126.db2.gz IBGOLFZXXCVGGN-SECBINFHSA-N 1 2 249.763 1.250 20 0 BDADLO C=C/C=C/CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878914770 590650589 /nfs/dbraw/zinc/65/05/89/590650589.db2.gz JKRMBBZWUSMHRI-FSIBCCDJSA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C/CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878914770 590650590 /nfs/dbraw/zinc/65/05/90/590650590.db2.gz JKRMBBZWUSMHRI-FSIBCCDJSA-N 1 2 217.259 1.821 20 0 BDADLO O[C@H]1CC[N@H+](CCCC2CC2)CC1(F)F ZINC000878914840 590650611 /nfs/dbraw/zinc/65/06/11/590650611.db2.gz LNBKSOXZZJFSIT-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1CC[N@@H+](CCCC2CC2)CC1(F)F ZINC000878914840 590650612 /nfs/dbraw/zinc/65/06/12/590650612.db2.gz LNBKSOXZZJFSIT-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917620 590650629 /nfs/dbraw/zinc/65/06/29/590650629.db2.gz QSBYFJLCUHUWCS-VIFPVBQESA-N 1 2 248.273 1.558 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917620 590650630 /nfs/dbraw/zinc/65/06/30/590650630.db2.gz QSBYFJLCUHUWCS-VIFPVBQESA-N 1 2 248.273 1.558 20 0 BDADLO C=C/C=C\CC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000878951492 590659784 /nfs/dbraw/zinc/65/97/84/590659784.db2.gz LSNOGFIWASACNX-FJOGCWAESA-N 1 2 229.295 2.000 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC[C@@H](O)C(C)C ZINC000878952023 590660568 /nfs/dbraw/zinc/66/05/68/590660568.db2.gz RZZZJMDXMVZGFO-ZYHUDNBSSA-N 1 2 249.326 1.274 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000878969020 590662693 /nfs/dbraw/zinc/66/26/93/590662693.db2.gz IGLAGMGETZSLJL-NWDGAFQWSA-N 1 2 243.347 1.496 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000878969020 590662696 /nfs/dbraw/zinc/66/26/96/590662696.db2.gz IGLAGMGETZSLJL-NWDGAFQWSA-N 1 2 243.347 1.496 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000878969150 590663023 /nfs/dbraw/zinc/66/30/23/590663023.db2.gz LTXQGNUYMPSTON-RYUDHWBXSA-N 1 2 243.347 1.639 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000878969150 590663022 /nfs/dbraw/zinc/66/30/22/590663022.db2.gz LTXQGNUYMPSTON-RYUDHWBXSA-N 1 2 243.347 1.639 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC12CCC2 ZINC000879073731 590693258 /nfs/dbraw/zinc/69/32/58/590693258.db2.gz WJBUTBLONFNKTK-LLVKDONJSA-N 1 2 231.299 1.876 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000879225363 590718150 /nfs/dbraw/zinc/71/81/50/590718150.db2.gz ZCVWKUODDPZNJK-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000879225363 590718154 /nfs/dbraw/zinc/71/81/54/590718154.db2.gz ZCVWKUODDPZNJK-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@H+](CC)CCO ZINC000127951307 590851259 /nfs/dbraw/zinc/85/12/59/590851259.db2.gz IZKULENFQHOMQP-UHFFFAOYSA-N 1 2 245.754 1.450 20 0 BDADLO CCc1nn(C)c(Cl)c1C[N@@H+](CC)CCO ZINC000127951307 590851260 /nfs/dbraw/zinc/85/12/60/590851260.db2.gz IZKULENFQHOMQP-UHFFFAOYSA-N 1 2 245.754 1.450 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@@H+](C/C=C/Cl)C[C@@H]2C1 ZINC000879931658 590890466 /nfs/dbraw/zinc/89/04/66/590890466.db2.gz SSTKQSUWZINAJR-ZNRHVGLYSA-N 1 2 249.763 1.105 20 0 BDADLO O=S1(=O)C[C@@H]2CC[N@H+](C/C=C/Cl)C[C@@H]2C1 ZINC000879931658 590890468 /nfs/dbraw/zinc/89/04/68/590890468.db2.gz SSTKQSUWZINAJR-ZNRHVGLYSA-N 1 2 249.763 1.105 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](CC)OC ZINC000879981915 590904071 /nfs/dbraw/zinc/90/40/71/590904071.db2.gz XGDBDXYLJSSVGB-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](C)[NH2+][C@H](Cc1cncs1)C(=O)OC ZINC000879990252 590904754 /nfs/dbraw/zinc/90/47/54/590904754.db2.gz YMJBOKQGZUFDSQ-WCBMZHEXSA-N 1 2 242.344 1.615 20 0 BDADLO FC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000880239543 590973190 /nfs/dbraw/zinc/97/31/90/590973190.db2.gz KWYBBJSVSOVWTR-UHFFFAOYSA-N 1 2 238.310 1.622 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880296278 590991322 /nfs/dbraw/zinc/99/13/22/590991322.db2.gz YMHCECDSXGDMTK-VIFPVBQESA-N 1 2 227.283 1.814 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880296278 590991324 /nfs/dbraw/zinc/99/13/24/590991324.db2.gz YMHCECDSXGDMTK-VIFPVBQESA-N 1 2 227.283 1.814 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316660 591003997 /nfs/dbraw/zinc/00/39/97/591003997.db2.gz JLWILUKBWUYGFO-RKDXNWHRSA-N 1 2 238.312 1.248 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316660 591003995 /nfs/dbraw/zinc/00/39/95/591003995.db2.gz JLWILUKBWUYGFO-RKDXNWHRSA-N 1 2 238.312 1.248 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](c3nccs3)C2)[nH]1 ZINC000880321528 591004887 /nfs/dbraw/zinc/00/48/87/591004887.db2.gz WBHJAJPWATVMPN-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](c3nccs3)C2)[nH]1 ZINC000880321528 591004889 /nfs/dbraw/zinc/00/48/89/591004889.db2.gz WBHJAJPWATVMPN-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO CC[N@H+](Cc1cnc[nH]1)[C@@H](CO)c1ccccc1 ZINC000880464948 591052432 /nfs/dbraw/zinc/05/24/32/591052432.db2.gz YPEBSFGTSFTGPU-AWEZNQCLSA-N 1 2 245.326 1.965 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@H]2CO)cs1 ZINC000880485573 591059005 /nfs/dbraw/zinc/05/90/05/591059005.db2.gz JANKOTNLFHNHND-JTQLQIEISA-N 1 2 210.302 1.184 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@H]2CO)cs1 ZINC000880485573 591059000 /nfs/dbraw/zinc/05/90/00/591059000.db2.gz JANKOTNLFHNHND-JTQLQIEISA-N 1 2 210.302 1.184 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000880485484 591059140 /nfs/dbraw/zinc/05/91/40/591059140.db2.gz DCVNWXFLZBODKR-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000880485484 591059147 /nfs/dbraw/zinc/05/91/47/591059147.db2.gz DCVNWXFLZBODKR-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO Cc1cccn2cc(C[N@@H+]3CC=C[C@@H]3CO)nc12 ZINC000880485088 591059197 /nfs/dbraw/zinc/05/91/97/591059197.db2.gz DRLKMDRGIWITKA-CYBMUJFWSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1cccn2cc(C[N@H+]3CC=C[C@@H]3CO)nc12 ZINC000880485088 591059200 /nfs/dbraw/zinc/05/92/00/591059200.db2.gz DRLKMDRGIWITKA-CYBMUJFWSA-N 1 2 243.310 1.375 20 0 BDADLO COc1c(C)cnc(C[N@@H+]2CC=C[C@H]2CO)c1C ZINC000880486015 591061196 /nfs/dbraw/zinc/06/11/96/591061196.db2.gz JNNKRFBOJVFWQF-LBPRGKRZSA-N 1 2 248.326 1.440 20 0 BDADLO COc1c(C)cnc(C[N@H+]2CC=C[C@H]2CO)c1C ZINC000880486015 591061200 /nfs/dbraw/zinc/06/12/00/591061200.db2.gz JNNKRFBOJVFWQF-LBPRGKRZSA-N 1 2 248.326 1.440 20 0 BDADLO CCC(CC)n1ccc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880488234 591063567 /nfs/dbraw/zinc/06/35/67/591063567.db2.gz AEGXOIBBMAREKR-AWEZNQCLSA-N 1 2 249.358 1.977 20 0 BDADLO CCC(CC)n1ccc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880488234 591063571 /nfs/dbraw/zinc/06/35/71/591063571.db2.gz AEGXOIBBMAREKR-AWEZNQCLSA-N 1 2 249.358 1.977 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880507178 591081455 /nfs/dbraw/zinc/08/14/55/591081455.db2.gz GNMDSSUNDNAWBD-LOWVWBTDSA-N 1 2 241.331 1.629 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CCSCC ZINC000128911526 591176392 /nfs/dbraw/zinc/17/63/92/591176392.db2.gz CCINODVQAQJXSL-MRVPVSSYSA-N 1 2 205.323 1.281 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CC(C)(C)CO1 ZINC000888852227 591154362 /nfs/dbraw/zinc/15/43/62/591154362.db2.gz LTTYCYRFGXKEOR-NSHDSACASA-N 1 2 248.326 1.956 20 0 BDADLO Cc1[nH+]cccc1Cn1cc([C@H]2CCOC2)nn1 ZINC000881299164 591183386 /nfs/dbraw/zinc/18/33/86/591183386.db2.gz ZOLMELIOIWKQQG-LBPRGKRZSA-N 1 2 244.298 1.534 20 0 BDADLO CC[C@H](O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000881312349 591187257 /nfs/dbraw/zinc/18/72/57/591187257.db2.gz JVFGSVAJIURGQR-LBPRGKRZSA-N 1 2 232.287 1.473 20 0 BDADLO Cc1cc(Cn2cc(C3(O)CCC3)nn2)cc[nH+]1 ZINC000881324639 591191678 /nfs/dbraw/zinc/19/16/78/591191678.db2.gz XWJGFTCOJKYABA-UHFFFAOYSA-N 1 2 244.298 1.401 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1C=CCC1 ZINC000881495908 591218733 /nfs/dbraw/zinc/21/87/33/591218733.db2.gz BGMIZWLULQHJAR-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](CF)C1 ZINC000881669793 591262756 /nfs/dbraw/zinc/26/27/56/591262756.db2.gz XFZXCMZLWSCXPU-NSHDSACASA-N 1 2 239.294 1.481 20 0 BDADLO COCCOCCCNc1nc[nH+]c(C)c1C ZINC000881774944 591270235 /nfs/dbraw/zinc/27/02/35/591270235.db2.gz FBNYXQWZWTXPKS-UHFFFAOYSA-N 1 2 239.319 1.558 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)Cn2cccn2)c1C ZINC000881802570 591271787 /nfs/dbraw/zinc/27/17/87/591271787.db2.gz CIMRVOLNHPQZTC-VIFPVBQESA-N 1 2 231.303 1.791 20 0 BDADLO Cc1[nH+]cnc(NCCCC(=O)NC2CC2)c1C ZINC000881810472 591272646 /nfs/dbraw/zinc/27/26/46/591272646.db2.gz WSGZHIKJPHCXHK-UHFFFAOYSA-N 1 2 248.330 1.564 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)CN2CCCC2=O)c1C ZINC000881830234 591273691 /nfs/dbraw/zinc/27/36/91/591273691.db2.gz XPXZPBUAIAVDEE-SECBINFHSA-N 1 2 248.330 1.516 20 0 BDADLO Cc1[nH+]cnc(NCCSCCCO)c1C ZINC000881924832 591278841 /nfs/dbraw/zinc/27/88/41/591278841.db2.gz DNLPLELKRJOIPL-UHFFFAOYSA-N 1 2 241.360 1.621 20 0 BDADLO Cc1ncnc(-n2c[nH+]c(CCCO)c2)c1C ZINC000881953920 591283285 /nfs/dbraw/zinc/28/32/85/591283285.db2.gz KWHWDMSRWOVRIE-UHFFFAOYSA-N 1 2 232.287 1.204 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@@H]2CCCOC2)c1C ZINC000881958511 591283983 /nfs/dbraw/zinc/28/39/83/591283983.db2.gz NZYLMPOMXYGJGP-LBPRGKRZSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NC[C@@](C)(O)C(C)C)c1C ZINC000881970400 591284713 /nfs/dbraw/zinc/28/47/13/591284713.db2.gz GJLLKYHYWSPMIL-GFCCVEGCSA-N 1 2 223.320 1.912 20 0 BDADLO COC[C@@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000881982393 591285542 /nfs/dbraw/zinc/28/55/42/591285542.db2.gz YPNVLKUENDMIOH-GFCCVEGCSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](C)C[C@@H](C)O)c1C ZINC000882007676 591287464 /nfs/dbraw/zinc/28/74/64/591287464.db2.gz LTUHMJAWVOIUCW-DTWKUNHWSA-N 1 2 223.320 1.912 20 0 BDADLO Cc1cc(N)nc(SCC[C@@H](O)C(C)C)[nH+]1 ZINC000882068994 591293573 /nfs/dbraw/zinc/29/35/73/591293573.db2.gz KPZHTIGIHLKBPM-SECBINFHSA-N 1 2 241.360 1.866 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)CCCO)c1C ZINC000882080184 591294417 /nfs/dbraw/zinc/29/44/17/591294417.db2.gz KGXQWZQMKXAZQJ-MRVPVSSYSA-N 1 2 209.293 1.666 20 0 BDADLO Cc1[nH+]cnc(NC[C@](C)(O)C(F)(F)F)c1C ZINC000882139865 591304549 /nfs/dbraw/zinc/30/45/49/591304549.db2.gz CCIQYCMDNGSOFW-VIFPVBQESA-N 1 2 249.236 1.819 20 0 BDADLO CC1(C)OCC(Nc2cc(CO)cc[nH+]2)CO1 ZINC000882184059 591312294 /nfs/dbraw/zinc/31/22/94/591312294.db2.gz JYHYXJVDVLXCBC-UHFFFAOYSA-N 1 2 238.287 1.137 20 0 BDADLO Cc1[nH+]cnc(NCCOC(C)C)c1C ZINC000882185294 591312651 /nfs/dbraw/zinc/31/26/51/591312651.db2.gz WRNGLHYSWGBOMA-UHFFFAOYSA-N 1 2 209.293 1.930 20 0 BDADLO Cc1[nH+]cnc(NCC(F)(F)CO)c1C ZINC000882196614 591315302 /nfs/dbraw/zinc/31/53/02/591315302.db2.gz JRDYLIHUTVAXHN-UHFFFAOYSA-N 1 2 217.219 1.133 20 0 BDADLO Cc1[nH+]cnc(N2CCC(=O)[C@H](C)C2)c1C ZINC000882207588 591316037 /nfs/dbraw/zinc/31/60/37/591316037.db2.gz YRQZAZPCIHCZFD-MRVPVSSYSA-N 1 2 219.288 1.509 20 0 BDADLO Cc1[nH+]cnc(N(C)CCCCCO)c1C ZINC000882279659 591325644 /nfs/dbraw/zinc/32/56/44/591325644.db2.gz RCNSXPIAIXRHPW-UHFFFAOYSA-N 1 2 223.320 1.692 20 0 BDADLO CC(C)(C)c1cn(CCN2CCOC2=O)c[nH+]1 ZINC000882280821 591326203 /nfs/dbraw/zinc/32/62/03/591326203.db2.gz LEAAEVBFJBCUMH-UHFFFAOYSA-N 1 2 237.303 1.633 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@@](C)(O)CC2)c1C ZINC000882285836 591326838 /nfs/dbraw/zinc/32/68/38/591326838.db2.gz CMBIWBFQRPVIBL-CYBMUJFWSA-N 1 2 235.331 1.835 20 0 BDADLO CO[C@@H](C)CN(C)c1nc[nH+]c(C)c1C ZINC000882361491 591338371 /nfs/dbraw/zinc/33/83/71/591338371.db2.gz ZVSFYZUPYUPXHN-QMMMGPOBSA-N 1 2 209.293 1.565 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(n1)C(=O)CC2 ZINC000882384701 591341476 /nfs/dbraw/zinc/34/14/76/591341476.db2.gz QXGRQSCHURYNAT-UHFFFAOYSA-N 1 2 242.282 1.556 20 0 BDADLO C[C@@H]1C[C@@H](Nc2ncc(C=O)cn2)c2[nH+]ccn21 ZINC000882426615 591346547 /nfs/dbraw/zinc/34/65/47/591346547.db2.gz NTGRLHOYMJJABA-PSASIEDQSA-N 1 2 243.270 1.604 20 0 BDADLO CCn1ccc(CNc2nc[nH+]c(C)c2C)n1 ZINC000882451234 591351234 /nfs/dbraw/zinc/35/12/34/591351234.db2.gz FDSQBNYZDXZGBB-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](C(=O)N(C)C)C2)c1C ZINC000882457017 591352141 /nfs/dbraw/zinc/35/21/41/591352141.db2.gz NLKJDYPPLJSBKV-LLVKDONJSA-N 1 2 248.330 1.008 20 0 BDADLO COC(=O)[C@H]1C[C@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882640078 591406321 /nfs/dbraw/zinc/40/63/21/591406321.db2.gz YDNQSMSYWIORSU-MGCOHNPYSA-N 1 2 235.287 1.457 20 0 BDADLO COC(=O)C1=CC[C@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882650895 591407367 /nfs/dbraw/zinc/40/73/67/591407367.db2.gz IXQBCLHIGLZZCH-NSHDSACASA-N 1 2 247.298 1.767 20 0 BDADLO Cc1[nH+]cnc(NCCN(C)CC(F)F)c1C ZINC000882670843 591409128 /nfs/dbraw/zinc/40/91/28/591409128.db2.gz DEQYTXPWAHWEDQ-UHFFFAOYSA-N 1 2 244.289 1.702 20 0 BDADLO Cc1[nH+]cnc(NCc2ccc[nH]c2=O)c1C ZINC000882666066 591409395 /nfs/dbraw/zinc/40/93/95/591409395.db2.gz FGTFFCKQRNGDII-UHFFFAOYSA-N 1 2 230.271 1.806 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)c1ccnn1C ZINC000882705813 591415618 /nfs/dbraw/zinc/41/56/18/591415618.db2.gz XUYZKVVZCFTMJF-MRVPVSSYSA-N 1 2 220.251 1.549 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1cc(CO)cc[nH+]1 ZINC000882707933 591415732 /nfs/dbraw/zinc/41/57/32/591415732.db2.gz INVSGFWNXLBGLD-GXSJLCMTSA-N 1 2 224.304 1.535 20 0 BDADLO O=C1OCC[C@H]1CCCNc1cc[nH+]cc1F ZINC000882715454 591419482 /nfs/dbraw/zinc/41/94/82/591419482.db2.gz CXGLIBUXRJHEEQ-SECBINFHSA-N 1 2 238.262 1.398 20 0 BDADLO Cc1nccnc1[C@H](C)Nc1cc[nH+]cc1F ZINC000882719685 591420860 /nfs/dbraw/zinc/42/08/60/591420860.db2.gz VYSBOZIDMNAQMT-VIFPVBQESA-N 1 2 232.262 1.914 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@H]2C=CCC2)[nH+]cn1 ZINC000882757728 591430565 /nfs/dbraw/zinc/43/05/65/591430565.db2.gz OFKUWKXTOUPELN-QWRGUYRKSA-N 1 2 248.330 1.647 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@H]2C=CCC2)nc[nH+]1 ZINC000882757728 591430569 /nfs/dbraw/zinc/43/05/69/591430569.db2.gz OFKUWKXTOUPELN-QWRGUYRKSA-N 1 2 248.330 1.647 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1C[C@H](OC)C1 ZINC000882796923 591441307 /nfs/dbraw/zinc/44/13/07/591441307.db2.gz FYTBIIIYSHAPTQ-MGCOHNPYSA-N 1 2 237.303 1.631 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC(F)CC1 ZINC000882804963 591445064 /nfs/dbraw/zinc/44/50/64/591445064.db2.gz GURIGKADLLHSTJ-UHFFFAOYSA-N 1 2 225.267 1.732 20 0 BDADLO CC[C@H]1CN(c2ccc([C@@H](C)O)c[nH+]2)CCO1 ZINC000213219404 591455437 /nfs/dbraw/zinc/45/54/37/591455437.db2.gz GJTHSLIHIYMHIG-PWSUYJOCSA-N 1 2 236.315 1.750 20 0 BDADLO COC[C@H]1CCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000213306814 591460495 /nfs/dbraw/zinc/46/04/95/591460495.db2.gz HBENPYVDLSEYLT-QWRGUYRKSA-N 1 2 236.315 1.608 20 0 BDADLO C[C@@H]1CCC[C@@H](CO[NH+]=C(N)CO)C1 ZINC000883011858 591511652 /nfs/dbraw/zinc/51/16/52/591511652.db2.gz LIABPTUWRQZKSQ-RKDXNWHRSA-N 1 2 200.282 1.303 20 0 BDADLO CC(C)OCC(N)=[NH+]O[C@H](C)c1ncccn1 ZINC000882960102 591485359 /nfs/dbraw/zinc/48/53/59/591485359.db2.gz ABXPXCKWHPFJCO-SECBINFHSA-N 1 2 238.291 1.461 20 0 BDADLO COc1ccccc1CCCO[NH+]=C(N)CO ZINC000883011723 591510531 /nfs/dbraw/zinc/51/05/31/591510531.db2.gz HJEKXBHREXOZBB-UHFFFAOYSA-N 1 2 238.287 1.119 20 0 BDADLO NC(CO)=[NH+]O[C@H]1CCCc2ccc(F)cc21 ZINC000883011783 591510707 /nfs/dbraw/zinc/51/07/07/591510707.db2.gz JBFIHWQIEXEYRS-NSHDSACASA-N 1 2 238.262 1.694 20 0 BDADLO NC(CO)=[NH+]OCc1ccc(OC(F)F)cc1 ZINC000883010805 591510969 /nfs/dbraw/zinc/51/09/69/591510969.db2.gz AVJRWOAKVIIJSJ-UHFFFAOYSA-N 1 2 246.213 1.279 20 0 BDADLO NC(CO)=[NH+]OCc1ccc(C(F)(F)F)cc1 ZINC000883010151 591510990 /nfs/dbraw/zinc/51/09/90/591510990.db2.gz GOLXMPSUPFTBIG-UHFFFAOYSA-N 1 2 248.204 1.696 20 0 BDADLO NC(CO)=[NH+]OCCCc1ccccc1 ZINC000883011507 591510997 /nfs/dbraw/zinc/51/09/97/591510997.db2.gz XXZLAOFIJYRYHE-UHFFFAOYSA-N 1 2 208.261 1.110 20 0 BDADLO NC(CO)=[NH+]OCCCc1c(F)cccc1F ZINC000883013359 591514679 /nfs/dbraw/zinc/51/46/79/591514679.db2.gz LUDKOWQVIMJLKG-UHFFFAOYSA-N 1 2 244.241 1.388 20 0 BDADLO CC(C)c1c[nH]c(CNC(CF)CF)[nH+]1 ZINC000883132485 591547031 /nfs/dbraw/zinc/54/70/31/591547031.db2.gz SNIJRUXNAJVPOB-UHFFFAOYSA-N 1 2 217.263 1.930 20 0 BDADLO Cc1csc(CNc2cc(CO)cc[nH+]2)n1 ZINC000883148208 591552664 /nfs/dbraw/zinc/55/26/64/591552664.db2.gz YRODIFJTIINZIZ-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)nc1)C(F)F ZINC000883406891 591650097 /nfs/dbraw/zinc/65/00/97/591650097.db2.gz DPWMJLHIESOSQG-ZCFIWIBFSA-N 1 2 204.195 1.964 20 0 BDADLO CCCNc1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000133433277 591791252 /nfs/dbraw/zinc/79/12/52/591791252.db2.gz GEDUBDRRJVQJNZ-SNVBAGLBSA-N 1 2 236.319 1.889 20 0 BDADLO CCCNc1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000133433277 591791254 /nfs/dbraw/zinc/79/12/54/591791254.db2.gz GEDUBDRRJVQJNZ-SNVBAGLBSA-N 1 2 236.319 1.889 20 0 BDADLO CCn1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)nn1 ZINC000884002627 591792214 /nfs/dbraw/zinc/79/22/14/591792214.db2.gz RIQQEEPPGYKTGJ-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)nn1 ZINC000884002627 591792217 /nfs/dbraw/zinc/79/22/17/591792217.db2.gz RIQQEEPPGYKTGJ-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)CC2CC2)CCO1 ZINC000800132626 591826232 /nfs/dbraw/zinc/82/62/32/591826232.db2.gz LGFQEEVAUWDMSC-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)CC2CC2)CCO1 ZINC000800132626 591826235 /nfs/dbraw/zinc/82/62/35/591826235.db2.gz LGFQEEVAUWDMSC-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO CS/C=C/C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800185531 591835425 /nfs/dbraw/zinc/83/54/25/591835425.db2.gz IKWJAOOAAZNIAP-SIUBYYJGSA-N 1 2 245.344 1.127 20 0 BDADLO CS/C=C/C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800185531 591835427 /nfs/dbraw/zinc/83/54/27/591835427.db2.gz IKWJAOOAAZNIAP-SIUBYYJGSA-N 1 2 245.344 1.127 20 0 BDADLO CC(C)OCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000134136624 591892630 /nfs/dbraw/zinc/89/26/30/591892630.db2.gz TTXCVOKFTZALHN-SNVBAGLBSA-N 1 2 231.336 1.731 20 0 BDADLO CCc1nc(N2CC([C@H]3CCOC3)C2)cc[nH+]1 ZINC000884492663 591956087 /nfs/dbraw/zinc/95/60/87/591956087.db2.gz ZWXZGJVVZWCSCM-JTQLQIEISA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N2CC[C@@](C)(C(=O)NC)C2)cc[nH+]1 ZINC000884495084 591956352 /nfs/dbraw/zinc/95/63/52/591956352.db2.gz LHDKDGKXXDNTKY-CYBMUJFWSA-N 1 2 248.330 1.001 20 0 BDADLO CCc1nc(NCc2ocnc2C)cc[nH+]1 ZINC000884514074 591963154 /nfs/dbraw/zinc/96/31/54/591963154.db2.gz YZUVTKCDEIBEIM-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CCc1nc(N2CCO[C@@H](C)C2)cc[nH+]1 ZINC000884516196 591963197 /nfs/dbraw/zinc/96/31/97/591963197.db2.gz FASRYFBNHIJYNH-VIFPVBQESA-N 1 2 207.277 1.264 20 0 BDADLO CCc1nc(N[C@@H]2CCn3ccnc32)cc[nH+]1 ZINC000884518499 591964084 /nfs/dbraw/zinc/96/40/84/591964084.db2.gz QVNCQGOBDBOWIL-SECBINFHSA-N 1 2 229.287 1.792 20 0 BDADLO CCc1nc(N2CC3(C2)CCOC3)cc[nH+]1 ZINC000884517052 591964103 /nfs/dbraw/zinc/96/41/03/591964103.db2.gz BIMPLHMXEGASLQ-UHFFFAOYSA-N 1 2 219.288 1.266 20 0 BDADLO CCc1nc(N2C[C@H](CO)C[C@H](C)C2)cc[nH+]1 ZINC000884533313 591969845 /nfs/dbraw/zinc/96/98/45/591969845.db2.gz FCCXZENKMMTQFN-WDEREUQCSA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N[C@@H](CO)CCF)cc[nH+]1 ZINC000884546267 591972502 /nfs/dbraw/zinc/97/25/02/591972502.db2.gz FUEJBYOQZJIMCE-MRVPVSSYSA-N 1 2 213.256 1.171 20 0 BDADLO CCc1nc(N2CC(COC)C2)cc[nH+]1 ZINC000884547668 591975598 /nfs/dbraw/zinc/97/55/98/591975598.db2.gz RBMFQDKJTWOGGK-UHFFFAOYSA-N 1 2 207.277 1.122 20 0 BDADLO CCc1nc(N2C[C@@H](C)C(=O)[C@H](C)C2)cc[nH+]1 ZINC000884556377 591978373 /nfs/dbraw/zinc/97/83/73/591978373.db2.gz OWDUARSAVZWMKA-NXEZZACHSA-N 1 2 233.315 1.700 20 0 BDADLO CCc1nc(N2CC[C@H](C)[C@@H](CO)C2)cc[nH+]1 ZINC000884562252 591980091 /nfs/dbraw/zinc/98/00/91/591980091.db2.gz VWAPICMQBKBYTJ-WDEREUQCSA-N 1 2 235.331 1.494 20 0 BDADLO Cc1c[nH]nc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000884566582 591983511 /nfs/dbraw/zinc/98/35/11/591983511.db2.gz OMZCBHFRPCOJML-SNVBAGLBSA-N 1 2 248.286 1.609 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884588355 591988644 /nfs/dbraw/zinc/98/86/44/591988644.db2.gz FZJHHSGKKZBNHK-DTORHVGOSA-N 1 2 214.272 1.722 20 0 BDADLO Cc1nc(N[C@]23C[C@H]2COC3)c2c([nH+]1)CCCC2 ZINC000884600453 591992803 /nfs/dbraw/zinc/99/28/03/591992803.db2.gz BRFNNRNSZLORGC-HZMBPMFUSA-N 1 2 245.326 1.865 20 0 BDADLO CCCNc1cc(NCC[C@@H](O)CC)nc[nH+]1 ZINC000135208080 591997161 /nfs/dbraw/zinc/99/71/61/591997161.db2.gz AKORAJXHHPOCIO-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NCC[C@@H](O)CC)[nH+]cn1 ZINC000135208080 591997164 /nfs/dbraw/zinc/99/71/64/591997164.db2.gz AKORAJXHHPOCIO-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CC[C@@H](NC(=O)C=C(C)C)c1[nH]cc[nH+]1 ZINC000135388919 592010876 /nfs/dbraw/zinc/01/08/76/592010876.db2.gz XQINATNUGIUYPV-SECBINFHSA-N 1 2 207.277 1.943 20 0 BDADLO CC/C=C(\C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000216390495 592026524 /nfs/dbraw/zinc/02/65/24/592026524.db2.gz OOQOAENOXXBAGG-WEVVVXLNSA-N 1 2 207.277 1.724 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@](C)(O)C(F)F ZINC000885965791 592116842 /nfs/dbraw/zinc/11/68/42/592116842.db2.gz VLSXGFDDMWDKDW-SECBINFHSA-N 1 2 236.287 1.591 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@](C)(O)C(F)F ZINC000885965791 592116844 /nfs/dbraw/zinc/11/68/44/592116844.db2.gz VLSXGFDDMWDKDW-SECBINFHSA-N 1 2 236.287 1.591 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@]12C[C@H]1CCC2 ZINC000885995655 592125061 /nfs/dbraw/zinc/12/50/61/592125061.db2.gz YAXSQNWVQWBNDH-MFKMUULPSA-N 1 2 233.315 1.649 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1C ZINC000886023229 592134916 /nfs/dbraw/zinc/13/49/16/592134916.db2.gz NMDCILYLLZSJMK-LLVKDONJSA-N 1 2 245.330 1.917 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1C ZINC000886023229 592134917 /nfs/dbraw/zinc/13/49/17/592134917.db2.gz NMDCILYLLZSJMK-LLVKDONJSA-N 1 2 245.330 1.917 20 0 BDADLO FC1(F)COCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886207743 592176897 /nfs/dbraw/zinc/17/68/97/592176897.db2.gz LCYDQPKBUMWLKM-WDEREUQCSA-N 1 2 247.285 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886207743 592176899 /nfs/dbraw/zinc/17/68/99/592176899.db2.gz LCYDQPKBUMWLKM-WDEREUQCSA-N 1 2 247.285 1.381 20 0 BDADLO Cn1cc[nH+]c1CNCc1cc(C2CC2)no1 ZINC000886272299 592192446 /nfs/dbraw/zinc/19/24/46/592192446.db2.gz MIHYYUXUVOBDHM-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886272299 592192449 /nfs/dbraw/zinc/19/24/49/592192449.db2.gz MIHYYUXUVOBDHM-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ncco1 ZINC000886272213 592193025 /nfs/dbraw/zinc/19/30/25/592193025.db2.gz KAPAHTTWBCQSKU-SNVBAGLBSA-N 1 2 246.314 1.986 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ncco1 ZINC000886273677 592193904 /nfs/dbraw/zinc/19/39/04/592193904.db2.gz DRGPWBYZTMUMAZ-UWVGGRQHSA-N 1 2 221.304 1.562 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000886319362 592207566 /nfs/dbraw/zinc/20/75/66/592207566.db2.gz BQYVEPIIZSWSRV-NSHDSACASA-N 1 2 238.335 1.050 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000886319362 592207568 /nfs/dbraw/zinc/20/75/68/592207568.db2.gz BQYVEPIIZSWSRV-NSHDSACASA-N 1 2 238.335 1.050 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000886319362 592207570 /nfs/dbraw/zinc/20/75/70/592207570.db2.gz BQYVEPIIZSWSRV-NSHDSACASA-N 1 2 238.335 1.050 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000886319362 592207571 /nfs/dbraw/zinc/20/75/71/592207571.db2.gz BQYVEPIIZSWSRV-NSHDSACASA-N 1 2 238.335 1.050 20 0 BDADLO c1ccc(-n2nnnc2C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886325753 592209159 /nfs/dbraw/zinc/20/91/59/592209159.db2.gz PUWZVVTYUALBQY-PHIMTYICSA-N 1 2 241.298 1.114 20 0 BDADLO c1ccc(-n2nnnc2C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886325753 592209161 /nfs/dbraw/zinc/20/91/61/592209161.db2.gz PUWZVVTYUALBQY-PHIMTYICSA-N 1 2 241.298 1.114 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348287 592214713 /nfs/dbraw/zinc/21/47/13/592214713.db2.gz JXUQMRGOPGDNFX-AOOOYVTPSA-N 1 2 218.304 1.144 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348287 592214716 /nfs/dbraw/zinc/21/47/16/592214716.db2.gz JXUQMRGOPGDNFX-AOOOYVTPSA-N 1 2 218.304 1.144 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCCn2nncc2C1 ZINC000886461114 592227979 /nfs/dbraw/zinc/22/79/79/592227979.db2.gz JTRUFHBZTODMAJ-NSHDSACASA-N 1 2 243.314 1.640 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCCn2nncc2C1 ZINC000886461114 592227980 /nfs/dbraw/zinc/22/79/80/592227980.db2.gz JTRUFHBZTODMAJ-NSHDSACASA-N 1 2 243.314 1.640 20 0 BDADLO C[C@H](O)CCN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000219805894 592251387 /nfs/dbraw/zinc/25/13/87/592251387.db2.gz BFZKJZLGLXJDGT-UWVGGRQHSA-N 1 2 224.304 1.342 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000886573943 592265153 /nfs/dbraw/zinc/26/51/53/592265153.db2.gz DHWFCAIWHNDJRT-DQDDRIPDSA-N 1 2 237.303 1.142 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)no1 ZINC000886573943 592265156 /nfs/dbraw/zinc/26/51/56/592265156.db2.gz DHWFCAIWHNDJRT-DQDDRIPDSA-N 1 2 237.303 1.142 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ncnn1C ZINC000886599052 592272205 /nfs/dbraw/zinc/27/22/05/592272205.db2.gz PRQVMINNKZJMHS-KOLCDFICSA-N 1 2 243.314 1.548 20 0 BDADLO CCOC[C@@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753224 592315652 /nfs/dbraw/zinc/31/56/52/592315652.db2.gz FHHPDVMLUHRDRO-MRVPVSSYSA-N 1 2 244.364 1.182 20 0 BDADLO CCOC[C@@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753224 592315658 /nfs/dbraw/zinc/31/56/58/592315658.db2.gz FHHPDVMLUHRDRO-MRVPVSSYSA-N 1 2 244.364 1.182 20 0 BDADLO CCOC(=O)[C@@]1(F)C[N@H+](CC(C)=O)C[C@@H]1CC ZINC000886879959 592381269 /nfs/dbraw/zinc/38/12/69/592381269.db2.gz SDXQKFUFVHXJOP-CMPLNLGQSA-N 1 2 245.294 1.189 20 0 BDADLO CCOC(=O)[C@@]1(F)C[N@@H+](CC(C)=O)C[C@@H]1CC ZINC000886879959 592381271 /nfs/dbraw/zinc/38/12/71/592381271.db2.gz SDXQKFUFVHXJOP-CMPLNLGQSA-N 1 2 245.294 1.189 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CCCSC ZINC000887074343 592436281 /nfs/dbraw/zinc/43/62/81/592436281.db2.gz UPMJIYHUXDZLSZ-SECBINFHSA-N 1 2 249.401 1.330 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CCCSC ZINC000887074343 592436284 /nfs/dbraw/zinc/43/62/84/592436284.db2.gz UPMJIYHUXDZLSZ-SECBINFHSA-N 1 2 249.401 1.330 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1([C@@H]2CCCCO2)CC1 ZINC000887088791 592438262 /nfs/dbraw/zinc/43/82/62/592438262.db2.gz MYRRKZLZSSPNRG-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO CC(=O)Nc1nc(C[N@H+](C)CCCF)cs1 ZINC000887137919 592454049 /nfs/dbraw/zinc/45/40/49/592454049.db2.gz XYBZJAVOBGTPDH-UHFFFAOYSA-N 1 2 245.323 1.893 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+](C)CCCF)cs1 ZINC000887137919 592454052 /nfs/dbraw/zinc/45/40/52/592454052.db2.gz XYBZJAVOBGTPDH-UHFFFAOYSA-N 1 2 245.323 1.893 20 0 BDADLO C[N@H+](CCCF)Cc1nnnn1C(C)(C)C ZINC000887141561 592457650 /nfs/dbraw/zinc/45/76/50/592457650.db2.gz ZUHBGPLTHIONAD-UHFFFAOYSA-N 1 2 229.303 1.220 20 0 BDADLO C[N@@H+](CCCF)Cc1nnnn1C(C)(C)C ZINC000887141561 592457654 /nfs/dbraw/zinc/45/76/54/592457654.db2.gz ZUHBGPLTHIONAD-UHFFFAOYSA-N 1 2 229.303 1.220 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)C1CC1 ZINC000887373368 592496460 /nfs/dbraw/zinc/49/64/60/592496460.db2.gz CQZPVIVYCLMNCM-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C(F)(F)F)C1 ZINC000888027003 592567749 /nfs/dbraw/zinc/56/77/49/592567749.db2.gz LUTVAFJNISWLEE-ZETCQYMHSA-N 1 2 247.220 1.363 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(Cc1ccoc1)C1CC1 ZINC000889090613 592579451 /nfs/dbraw/zinc/57/94/51/592579451.db2.gz RVAXCMXMCILJPF-UHFFFAOYSA-N 1 2 245.282 1.736 20 0 BDADLO Cc1cc(CNC(=O)N2C[C@@H]3C[C@@H]3C2)cc(C)[nH+]1 ZINC000889252354 592592595 /nfs/dbraw/zinc/59/25/95/592592595.db2.gz QIHFEQRHHPQAHA-BETUJISGSA-N 1 2 245.326 1.860 20 0 BDADLO O=C(N[C@@H]1C[C@H]2CCC[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889619321 592631377 /nfs/dbraw/zinc/63/13/77/592631377.db2.gz XMWVNKOSJUGHCK-LZQZFOIKSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1C[C@H]2CCC[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889619321 592631381 /nfs/dbraw/zinc/63/13/81/592631381.db2.gz XMWVNKOSJUGHCK-LZQZFOIKSA-N 1 2 245.326 1.818 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109263 592675173 /nfs/dbraw/zinc/67/51/73/592675173.db2.gz IKDYJQQUMQLZPT-JTQLQIEISA-N 1 2 223.320 1.719 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107311 592680875 /nfs/dbraw/zinc/68/08/75/592680875.db2.gz JXGHVVBLGKXZEI-WDEREUQCSA-N 1 2 221.304 1.328 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCCC(=O)C2CC2)c1 ZINC000890105195 592681125 /nfs/dbraw/zinc/68/11/25/592681125.db2.gz YVIUYNIIOJRSQZ-UHFFFAOYSA-N 1 2 249.314 1.186 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890105220 592681319 /nfs/dbraw/zinc/68/13/19/592681319.db2.gz ZNJLNBDAEALKQE-UHFFFAOYSA-N 1 2 246.314 1.631 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000890104829 592681465 /nfs/dbraw/zinc/68/14/65/592681465.db2.gz REQXDXWCTUGBPE-SECBINFHSA-N 1 2 221.304 1.473 20 0 BDADLO CCc1ccnc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890109383 592683538 /nfs/dbraw/zinc/68/35/38/592683538.db2.gz MWMXGYFIBLWYLH-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO C[C@H](CC(=O)NCc1cn(C)c[nH+]1)n1cccc1 ZINC000890114133 592684283 /nfs/dbraw/zinc/68/42/83/592684283.db2.gz VJSQYAVOEHZUGA-LLVKDONJSA-N 1 2 246.314 1.489 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000890109693 592684333 /nfs/dbraw/zinc/68/43/33/592684333.db2.gz QEYLWPBYXBDQPX-JTQLQIEISA-N 1 2 235.331 1.863 20 0 BDADLO Cc1occc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890117062 592685699 /nfs/dbraw/zinc/68/56/99/592685699.db2.gz FXRPKGZTHVBMHR-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CCNC1=O ZINC000890490531 592701896 /nfs/dbraw/zinc/70/18/96/592701896.db2.gz TUHHJFFTGRDBHP-JTQLQIEISA-N 1 2 247.298 1.163 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000044993052 598215290 /nfs/dbraw/zinc/21/52/90/598215290.db2.gz ONLMANFUBOINIJ-MNOVXSKESA-N 1 2 228.336 1.314 20 0 BDADLO CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)[O-] ZINC000049555714 598215709 /nfs/dbraw/zinc/21/57/09/598215709.db2.gz MOOSAKWDRKQWJI-WDEREUQCSA-N 1 2 230.352 1.416 20 0 BDADLO C[C@@H]1CSCCN(c2nccn3c[nH+]cc23)C1 ZINC000893472196 634520162 /nfs/dbraw/zinc/52/01/62/634520162.db2.gz NDLAYGKWLSAFON-JTQLQIEISA-N 1 2 248.355 1.919 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001009815107 634589158 /nfs/dbraw/zinc/58/91/58/634589158.db2.gz MXPCQUNEAZBBMQ-JGVFFNPUSA-N 1 2 238.253 1.190 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001009815107 634589164 /nfs/dbraw/zinc/58/91/64/634589164.db2.gz MXPCQUNEAZBBMQ-JGVFFNPUSA-N 1 2 238.253 1.190 20 0 BDADLO C/C=C\[C@H](O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000909391811 634600761 /nfs/dbraw/zinc/60/07/61/634600761.db2.gz XMWDCKWCBPBBPN-RXNFCKPNSA-N 1 2 234.299 1.252 20 0 BDADLO CC(C)[C@H](F)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981779879 635395241 /nfs/dbraw/zinc/39/52/41/635395241.db2.gz TXRDLNNFEKZQGD-NSHDSACASA-N 1 2 248.317 1.484 20 0 BDADLO CC(C)[C@H](F)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981779879 635395247 /nfs/dbraw/zinc/39/52/47/635395247.db2.gz TXRDLNNFEKZQGD-NSHDSACASA-N 1 2 248.317 1.484 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000310229968 635434859 /nfs/dbraw/zinc/43/48/59/635434859.db2.gz HIFXMXLKMSRIDH-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO CCCNc1cc(N2CC[C@@H](OC)C2)nc[nH+]1 ZINC000233207600 635527874 /nfs/dbraw/zinc/52/78/74/635527874.db2.gz GPCPPTUCIIZYRW-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N2CC[C@@H](OC)C2)[nH+]cn1 ZINC000233207600 635527880 /nfs/dbraw/zinc/52/78/80/635527880.db2.gz GPCPPTUCIIZYRW-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N2CC[C@@](C)(O)C2)nc[nH+]1 ZINC000233207697 635528103 /nfs/dbraw/zinc/52/81/03/635528103.db2.gz PQMURLWDPCKNDJ-GFCCVEGCSA-N 1 2 236.319 1.260 20 0 BDADLO CCCNc1cc(N2CC[C@@](C)(O)C2)[nH+]cn1 ZINC000233207697 635528111 /nfs/dbraw/zinc/52/81/11/635528111.db2.gz PQMURLWDPCKNDJ-GFCCVEGCSA-N 1 2 236.319 1.260 20 0 BDADLO Cc1cc(NC(=O)c2c[nH]cn2)cc[nH+]1 ZINC000074674277 631235548 /nfs/dbraw/zinc/23/55/48/631235548.db2.gz UPHMOKVJUCBNTP-UHFFFAOYSA-N 1 2 202.217 1.365 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000074673311 631236700 /nfs/dbraw/zinc/23/67/00/631236700.db2.gz WWWYVLTXJAVUCU-AOOOYVTPSA-N 1 2 221.304 1.742 20 0 BDADLO CC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326901 631258606 /nfs/dbraw/zinc/25/86/06/631258606.db2.gz NDHMWIMYCZHJOD-LLVKDONJSA-N 1 2 204.273 1.179 20 0 BDADLO CC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326901 631258613 /nfs/dbraw/zinc/25/86/13/631258613.db2.gz NDHMWIMYCZHJOD-LLVKDONJSA-N 1 2 204.273 1.179 20 0 BDADLO CSCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308383589 631306248 /nfs/dbraw/zinc/30/62/48/631306248.db2.gz CZWOGZUCAPFDGE-UHFFFAOYSA-N 1 2 225.317 1.033 20 0 BDADLO CC[C@@H](CO)[NH2+]Cc1nnsc1Cl ZINC000308480465 631391538 /nfs/dbraw/zinc/39/15/38/631391538.db2.gz NDFMIYLGBZGCPS-YFKPBYRVSA-N 1 2 221.713 1.052 20 0 BDADLO C[C@H]1COCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000051323404 631467825 /nfs/dbraw/zinc/46/78/25/631467825.db2.gz HDYFHCBAJJUHER-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H]1COCC[N@H+]1C[C@H](O)c1cccc(F)c1 ZINC000051323404 631467834 /nfs/dbraw/zinc/46/78/34/631467834.db2.gz HDYFHCBAJJUHER-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1(O)CCCCC1)C1CC1 ZINC000234543020 631571729 /nfs/dbraw/zinc/57/17/29/631571729.db2.gz MUMZDHWWIBWCKJ-NSHDSACASA-N 1 2 241.331 1.223 20 0 BDADLO Cc1ncoc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000893909453 635640117 /nfs/dbraw/zinc/64/01/17/635640117.db2.gz NXRPQGDZOSRGPE-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1ncoc1C[N@H+](C)Cc1cnn(C)c1 ZINC000893909453 635640119 /nfs/dbraw/zinc/64/01/19/635640119.db2.gz NXRPQGDZOSRGPE-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000934011037 631587107 /nfs/dbraw/zinc/58/71/07/631587107.db2.gz IMOLSJKGRPRTKJ-JTQLQIEISA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cncc(Cl)c1 ZINC000934011037 631587113 /nfs/dbraw/zinc/58/71/13/631587113.db2.gz IMOLSJKGRPRTKJ-JTQLQIEISA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000934026414 631604161 /nfs/dbraw/zinc/60/41/61/631604161.db2.gz FSQNUIAWRVBQFN-NSHDSACASA-N 1 2 245.282 1.303 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000934026414 631604165 /nfs/dbraw/zinc/60/41/65/631604165.db2.gz FSQNUIAWRVBQFN-NSHDSACASA-N 1 2 245.282 1.303 20 0 BDADLO Cn1c2ccccc2nc1C[N@@H+]1CC[C@@H]1CO ZINC000934015945 631612098 /nfs/dbraw/zinc/61/20/98/631612098.db2.gz CUTPLBXJEXTVJQ-SNVBAGLBSA-N 1 2 231.299 1.140 20 0 BDADLO Cn1c2ccccc2nc1C[N@H+]1CC[C@@H]1CO ZINC000934015945 631612103 /nfs/dbraw/zinc/61/21/03/631612103.db2.gz CUTPLBXJEXTVJQ-SNVBAGLBSA-N 1 2 231.299 1.140 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)[C@H]2CC[C@H]2OC)[nH]1 ZINC000934110274 631683889 /nfs/dbraw/zinc/68/38/89/631683889.db2.gz XJZAEUIICDHYIB-LPEHRKFASA-N 1 2 238.335 1.537 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)[C@H]2CC[C@H]2OC)[nH]1 ZINC000934110274 631683892 /nfs/dbraw/zinc/68/38/92/631683892.db2.gz XJZAEUIICDHYIB-LPEHRKFASA-N 1 2 238.335 1.537 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000308831405 631886967 /nfs/dbraw/zinc/88/69/67/631886967.db2.gz GHGWTSJXIBSCIH-ZJUUUORDSA-N 1 2 231.361 1.527 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC2)c1C ZINC000051755461 631903380 /nfs/dbraw/zinc/90/33/80/631903380.db2.gz JHYJMMVNJBIKQM-UHFFFAOYSA-N 1 2 249.314 1.622 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c(C)n1 ZINC000934571982 631945677 /nfs/dbraw/zinc/94/56/77/631945677.db2.gz HYXGNSOVPFOPJW-OLZOCXBDSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c(C)n1 ZINC000934571982 631945680 /nfs/dbraw/zinc/94/56/80/631945680.db2.gz HYXGNSOVPFOPJW-OLZOCXBDSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOC1CCC1 ZINC000309465498 632099660 /nfs/dbraw/zinc/09/96/60/632099660.db2.gz PUXAMUPBWSVDIW-SECBINFHSA-N 1 2 223.320 1.938 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000319664531 635777703 /nfs/dbraw/zinc/77/77/03/635777703.db2.gz OTFXZNYFBMHFLV-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)CCO)C(=O)OC(C)(C)C ZINC000309489763 632419173 /nfs/dbraw/zinc/41/91/73/632419173.db2.gz WSZMGNAFWQARHR-VHSXEESVSA-N 1 2 231.336 1.467 20 0 BDADLO CCN(C[C@H]1CCCO1)c1cc(NC)[nH+]cn1 ZINC000130399232 632443116 /nfs/dbraw/zinc/44/31/16/632443116.db2.gz OUFUAVJQMIXIEG-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCN(C[C@H]1CCCO1)c1cc(NC)nc[nH+]1 ZINC000130399232 632443128 /nfs/dbraw/zinc/44/31/28/632443128.db2.gz OUFUAVJQMIXIEG-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2C[C@@H](C)C[C@@H]2C)nc[nH+]1 ZINC000158422717 632470511 /nfs/dbraw/zinc/47/05/11/632470511.db2.gz ATODRQZGNAGIQW-IUCAKERBSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2C[C@@H](C)C[C@@H]2C)[nH+]cn1 ZINC000158422717 632470515 /nfs/dbraw/zinc/47/05/15/632470515.db2.gz ATODRQZGNAGIQW-IUCAKERBSA-N 1 2 206.293 1.753 20 0 BDADLO CCCNc1cc(N(C)C[C@@H](C)OC)nc[nH+]1 ZINC000310309506 632718598 /nfs/dbraw/zinc/71/85/98/632718598.db2.gz QCTDMUCDUVZUDM-SNVBAGLBSA-N 1 2 238.335 1.770 20 0 BDADLO CCCNc1cc(N(C)C[C@@H](C)OC)[nH+]cn1 ZINC000310309506 632718601 /nfs/dbraw/zinc/71/86/01/632718601.db2.gz QCTDMUCDUVZUDM-SNVBAGLBSA-N 1 2 238.335 1.770 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2nccs2)CC1 ZINC000153540463 632819353 /nfs/dbraw/zinc/81/93/53/632819353.db2.gz REQGLDYXQWSSBP-UHFFFAOYSA-N 1 2 240.328 1.671 20 0 BDADLO Nc1ccc(Cn2cnc(C3CC3)n2)c[nH+]1 ZINC000309311510 632924560 /nfs/dbraw/zinc/92/45/60/632924560.db2.gz MANLGQQAPKLTAB-UHFFFAOYSA-N 1 2 215.260 1.181 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)C=CCC1 ZINC000935922448 633107663 /nfs/dbraw/zinc/10/76/63/633107663.db2.gz DLHUBVTXLRRZDX-SMDDNHRTSA-N 1 2 245.326 1.670 20 0 BDADLO Fc1ncccc1C[NH2+]Cc1ccccn1 ZINC000309555631 633200179 /nfs/dbraw/zinc/20/01/79/633200179.db2.gz HNAYMKBXGBHDAR-UHFFFAOYSA-N 1 2 217.247 1.906 20 0 BDADLO CCc1cc(=O)[nH]c(C[NH+]2CCC(F)CC2)n1 ZINC000880240269 635920080 /nfs/dbraw/zinc/92/00/80/635920080.db2.gz RVAVMQDZYPJXFO-UHFFFAOYSA-N 1 2 239.294 1.679 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029201114 636022559 /nfs/dbraw/zinc/02/25/59/636022559.db2.gz YZMYYFVLNXNBFI-NNYUYHANSA-N 1 2 240.322 1.287 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029201114 636022561 /nfs/dbraw/zinc/02/25/61/636022561.db2.gz YZMYYFVLNXNBFI-NNYUYHANSA-N 1 2 240.322 1.287 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000895032963 636016713 /nfs/dbraw/zinc/01/67/13/636016713.db2.gz COVXHLWLZUDNOT-LBPRGKRZSA-N 1 2 239.315 1.560 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000895032963 636016715 /nfs/dbraw/zinc/01/67/15/636016715.db2.gz COVXHLWLZUDNOT-LBPRGKRZSA-N 1 2 239.315 1.560 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000307114128 635982560 /nfs/dbraw/zinc/98/25/60/635982560.db2.gz SKPSGHGGFJTMLF-NKWVEPMBSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000307114128 635982567 /nfs/dbraw/zinc/98/25/67/635982567.db2.gz SKPSGHGGFJTMLF-NKWVEPMBSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029201116 636022114 /nfs/dbraw/zinc/02/21/14/636022114.db2.gz YZMYYFVLNXNBFI-WYUUTHIRSA-N 1 2 240.322 1.287 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029201116 636022116 /nfs/dbraw/zinc/02/21/16/636022116.db2.gz YZMYYFVLNXNBFI-WYUUTHIRSA-N 1 2 240.322 1.287 20 0 BDADLO Cc1cnccc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895118010 636064982 /nfs/dbraw/zinc/06/49/82/636064982.db2.gz FFEVCMRQFNBDND-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cnccc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895118010 636064984 /nfs/dbraw/zinc/06/49/84/636064984.db2.gz FFEVCMRQFNBDND-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2cscn2)CC1 ZINC000178977603 636048249 /nfs/dbraw/zinc/04/82/49/636048249.db2.gz LIEATJUZOAMRJT-UHFFFAOYSA-N 1 2 240.328 1.671 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(SC[C@H](C)O)c12 ZINC000895125693 636071465 /nfs/dbraw/zinc/07/14/65/636071465.db2.gz XILBNDNESPEEPJ-ZETCQYMHSA-N 1 2 237.328 1.993 20 0 BDADLO CNc1cc(NCc2cc(C)ncn2)nc[nH+]1 ZINC000892990476 633795712 /nfs/dbraw/zinc/79/57/12/633795712.db2.gz BPBHKFZOMWOZCD-UHFFFAOYSA-N 1 2 230.275 1.229 20 0 BDADLO CNc1cc(NCc2cc(C)ncn2)[nH+]cn1 ZINC000892990476 633795723 /nfs/dbraw/zinc/79/57/23/633795723.db2.gz BPBHKFZOMWOZCD-UHFFFAOYSA-N 1 2 230.275 1.229 20 0 BDADLO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCOC1=O ZINC000019876259 633801643 /nfs/dbraw/zinc/80/16/43/633801643.db2.gz UHCGWXYZGQNGRI-YPMHNXCESA-N 1 2 233.311 1.913 20 0 BDADLO CCOCC[N@H+](C)Cn1cccnc1=S ZINC000179877994 633873779 /nfs/dbraw/zinc/87/37/79/633873779.db2.gz USXYEEWTTBNBKN-UHFFFAOYSA-N 1 2 227.333 1.538 20 0 BDADLO CCOCC[N@@H+](C)Cn1cccnc1=S ZINC000179877994 633873785 /nfs/dbraw/zinc/87/37/85/633873785.db2.gz USXYEEWTTBNBKN-UHFFFAOYSA-N 1 2 227.333 1.538 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+]C(C)(C)C(C)(C)O ZINC000309893759 633911562 /nfs/dbraw/zinc/91/15/62/633911562.db2.gz DWYJAVJHBJGYQN-VIFPVBQESA-N 1 2 231.336 1.467 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OCC(C)C)[C@@H]1CCCO1 ZINC000182322354 633942187 /nfs/dbraw/zinc/94/21/87/633942187.db2.gz WSEJOEGOLUDKGI-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000930864187 634141965 /nfs/dbraw/zinc/14/19/65/634141965.db2.gz LPQWNFSGFGIPCB-HLTSFMKQSA-N 1 2 225.242 1.735 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000930864187 634141973 /nfs/dbraw/zinc/14/19/73/634141973.db2.gz LPQWNFSGFGIPCB-HLTSFMKQSA-N 1 2 225.242 1.735 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC001027710562 635121251 /nfs/dbraw/zinc/12/12/51/635121251.db2.gz WRMFQNUWYYSFJW-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC001027710562 635121254 /nfs/dbraw/zinc/12/12/54/635121254.db2.gz WRMFQNUWYYSFJW-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1ncccn1 ZINC001027711932 635123506 /nfs/dbraw/zinc/12/35/06/635123506.db2.gz VVPLDUKAZJDVKB-CMPLNLGQSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1ncccn1 ZINC001027711932 635123509 /nfs/dbraw/zinc/12/35/09/635123509.db2.gz VVPLDUKAZJDVKB-CMPLNLGQSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001027711782 635123529 /nfs/dbraw/zinc/12/35/29/635123529.db2.gz TZKAXFFACIOUIQ-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001027711782 635123534 /nfs/dbraw/zinc/12/35/34/635123534.db2.gz TZKAXFFACIOUIQ-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO COc1nccc(C[NH2+]Cc2ccno2)c1F ZINC000893552450 635149607 /nfs/dbraw/zinc/14/96/07/635149607.db2.gz USAMOKIXXYBVJL-UHFFFAOYSA-N 1 2 237.234 1.507 20 0 BDADLO CS[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980742352 635266046 /nfs/dbraw/zinc/26/60/46/635266046.db2.gz YICAJUGKGICDNO-JTQLQIEISA-N 1 2 248.367 1.242 20 0 BDADLO CS[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980742352 635266047 /nfs/dbraw/zinc/26/60/47/635266047.db2.gz YICAJUGKGICDNO-JTQLQIEISA-N 1 2 248.367 1.242 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000250190374 635696415 /nfs/dbraw/zinc/69/64/15/635696415.db2.gz OOJXPUDVJNVXSU-HJGDQZAQSA-N 1 2 239.319 1.706 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CC23CC3)[nH+]c1C ZINC000896910802 636253335 /nfs/dbraw/zinc/25/33/35/636253335.db2.gz YJGWQWJPNRCDLK-VIFPVBQESA-N 1 2 219.288 1.443 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)CNc2cccc[nH+]2)O1 ZINC000909581370 636284680 /nfs/dbraw/zinc/28/46/80/636284680.db2.gz QMTYJGKIRHHCAO-QWRGUYRKSA-N 1 2 249.314 1.177 20 0 BDADLO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000304036898 636320635 /nfs/dbraw/zinc/32/06/35/636320635.db2.gz HVCFJJSXMYCZIU-ZDUSSCGKSA-N 1 2 231.299 1.541 20 0 BDADLO OCc1cc[nH+]c(NCC[C@@H](O)C2CC2)c1 ZINC000897384067 636566385 /nfs/dbraw/zinc/56/63/85/636566385.db2.gz GRDMBFVGVNTOKF-LLVKDONJSA-N 1 2 222.288 1.147 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000074673316 636652653 /nfs/dbraw/zinc/65/26/53/636652653.db2.gz WWWYVLTXJAVUCU-NXEZZACHSA-N 1 2 221.304 1.742 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@](C)(CC)OC ZINC000322691440 636876520 /nfs/dbraw/zinc/87/65/20/636876520.db2.gz KVIWYBTVDAVOCT-KOLCDFICSA-N 1 2 217.309 1.343 20 0 BDADLO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)C(=O)OC(C)(C)C ZINC000323310575 636919224 /nfs/dbraw/zinc/91/92/24/636919224.db2.gz TYIVLFPIZFBWMK-GUBZILKMSA-N 1 2 229.320 1.220 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]CCN1CCCCC1 ZINC000924622793 636935033 /nfs/dbraw/zinc/93/50/33/636935033.db2.gz HDUHHMBDTOWYRY-SNVBAGLBSA-N 1 2 238.335 1.515 20 0 BDADLO CC[C@H](OC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)=O ZINC000923891567 637005159 /nfs/dbraw/zinc/00/51/59/637005159.db2.gz NKWVHLVLISSSNI-NEPJUHHUSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@H](OC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)=O ZINC000923891567 637005166 /nfs/dbraw/zinc/00/51/66/637005166.db2.gz NKWVHLVLISSSNI-NEPJUHHUSA-N 1 2 241.331 1.770 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000898502243 637045875 /nfs/dbraw/zinc/04/58/75/637045875.db2.gz CJXYKUYZJVCZNH-MNOVXSKESA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000898502243 637045891 /nfs/dbraw/zinc/04/58/91/637045891.db2.gz CJXYKUYZJVCZNH-MNOVXSKESA-N 1 2 240.322 1.337 20 0 BDADLO Cc1coc(C(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000898912690 637065215 /nfs/dbraw/zinc/06/52/15/637065215.db2.gz OJDJCIPWZGTRIC-UHFFFAOYSA-N 1 2 247.298 1.950 20 0 BDADLO CCN(CC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899914960 637156556 /nfs/dbraw/zinc/15/65/56/637156556.db2.gz PBRMGBVDYYWOKS-ZRDIBKRKSA-N 1 2 240.347 1.133 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(COC2CC2)n1 ZINC000904265126 637394856 /nfs/dbraw/zinc/39/48/56/637394856.db2.gz GYKYHMXYLXULFK-UHFFFAOYSA-N 1 2 246.270 1.701 20 0 BDADLO CC[NH2+]Cc1noc(Cc2cc(CC)nn2C)n1 ZINC000904494090 637420914 /nfs/dbraw/zinc/42/09/14/637420914.db2.gz HSCINTUIQBPNKP-UHFFFAOYSA-N 1 2 249.318 1.066 20 0 BDADLO COc1cnc(C=Cc2[nH]c(C)c(C)[nH+]2)[nH]c1=O ZINC000905077469 637578112 /nfs/dbraw/zinc/57/81/12/637578112.db2.gz XDPGKQAQHYEFTB-PLNGDYQASA-N 1 2 246.270 1.701 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905386063 637786944 /nfs/dbraw/zinc/78/69/44/637786944.db2.gz QYKLUISAABJDMY-VIFPVBQESA-N 1 2 237.290 1.287 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cnsn1 ZINC000905491701 637836803 /nfs/dbraw/zinc/83/68/03/637836803.db2.gz HRLQQYJEOJMROY-MRVPVSSYSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cnsn1 ZINC000905491701 637836805 /nfs/dbraw/zinc/83/68/05/637836805.db2.gz HRLQQYJEOJMROY-MRVPVSSYSA-N 1 2 240.332 1.349 20 0 BDADLO C[C@H]1CC[N@H+](CN2CC(C)(C)OC2=O)CCO1 ZINC000905740740 637903837 /nfs/dbraw/zinc/90/38/37/637903837.db2.gz SSBAZXLREQNWLX-JTQLQIEISA-N 1 2 242.319 1.286 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CC(C)(C)OC2=O)CCO1 ZINC000905740740 637903842 /nfs/dbraw/zinc/90/38/42/637903842.db2.gz SSBAZXLREQNWLX-JTQLQIEISA-N 1 2 242.319 1.286 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000905771759 637926538 /nfs/dbraw/zinc/92/65/38/637926538.db2.gz KPTBRCYFQLONDP-YFKTTZPYSA-N 1 2 243.347 1.731 20 0 BDADLO CSCc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815503 637941668 /nfs/dbraw/zinc/94/16/68/637941668.db2.gz JAOZRGXEBYPTPJ-UHFFFAOYSA-N 1 2 235.316 1.167 20 0 BDADLO CC(C)(C)OC1C[NH+](C[C@@](C)(O)C(F)F)C1 ZINC000905970315 637986874 /nfs/dbraw/zinc/98/68/74/637986874.db2.gz JEQSCBBWECTGJB-LLVKDONJSA-N 1 2 237.290 1.502 20 0 BDADLO CCCC[N@H+](C)Cc1cn(CCC(C)=O)nn1 ZINC000906254866 638119577 /nfs/dbraw/zinc/11/95/77/638119577.db2.gz HKGWFGWVNQGJEP-UHFFFAOYSA-N 1 2 238.335 1.489 20 0 BDADLO CCCC[N@@H+](C)Cc1cn(CCC(C)=O)nn1 ZINC000906254866 638119579 /nfs/dbraw/zinc/11/95/79/638119579.db2.gz HKGWFGWVNQGJEP-UHFFFAOYSA-N 1 2 238.335 1.489 20 0 BDADLO CC(=O)CCn1cc(C[N@H+]2CC[C@H](C)C2)nn1 ZINC000906261024 638129406 /nfs/dbraw/zinc/12/94/06/638129406.db2.gz WAXONSPBIHAHLA-JTQLQIEISA-N 1 2 236.319 1.099 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+]2CC[C@H](C)C2)nn1 ZINC000906261024 638129411 /nfs/dbraw/zinc/12/94/11/638129411.db2.gz WAXONSPBIHAHLA-JTQLQIEISA-N 1 2 236.319 1.099 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccnn1C ZINC000906322509 638144650 /nfs/dbraw/zinc/14/46/50/638144650.db2.gz GZJXQHKCGSQXKN-SECBINFHSA-N 1 2 246.318 1.197 20 0 BDADLO CCCC[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000906534061 638201938 /nfs/dbraw/zinc/20/19/38/638201938.db2.gz MTTNKMXSLBJTQN-VIFPVBQESA-N 1 2 224.308 1.546 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC(F)C2)c(C)[nH+]1 ZINC000907331051 638358756 /nfs/dbraw/zinc/35/87/56/638358756.db2.gz YPXNWUROFGLXDH-UHFFFAOYSA-N 1 2 222.263 1.801 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907485338 638389154 /nfs/dbraw/zinc/38/91/54/638389154.db2.gz FCJCBPIGOGKXJM-ONGXEEELSA-N 1 2 221.304 1.599 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907524478 638396034 /nfs/dbraw/zinc/39/60/34/638396034.db2.gz CYBPQYVIHCTLJJ-XZLDQRQTSA-N 1 2 239.706 1.457 20 0 BDADLO CC1(C)CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907602096 638418863 /nfs/dbraw/zinc/41/88/63/638418863.db2.gz LDPYLBBAIRUKCH-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)=CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907687401 638447597 /nfs/dbraw/zinc/44/75/97/638447597.db2.gz DSIMFEQPFBUNSO-UHFFFAOYSA-N 1 2 207.277 1.425 20 0 BDADLO CC1=CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907952686 638521375 /nfs/dbraw/zinc/52/13/75/638521375.db2.gz YKOKPCLPQVSQOO-UHFFFAOYSA-N 1 2 231.299 1.672 20 0 BDADLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](C)C(C)C ZINC000908274278 638629467 /nfs/dbraw/zinc/62/94/67/638629467.db2.gz MOIRPYMYLIUWFL-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO CCC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908317563 638638706 /nfs/dbraw/zinc/63/87/06/638638706.db2.gz AYADIUAMRBZWRQ-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(C2CC2)CCC1 ZINC000908757902 639061715 /nfs/dbraw/zinc/06/17/15/639061715.db2.gz FLIMOAXAZQNLIJ-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO C/C(=C(\F)C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000908761844 639062906 /nfs/dbraw/zinc/06/29/06/639062906.db2.gz YLLONHFJJNEKSN-MJWAUXSNSA-N 1 2 249.289 1.578 20 0 BDADLO COC1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000909889216 639255420 /nfs/dbraw/zinc/25/54/20/639255420.db2.gz KLNWPNZFQXAAHD-UHFFFAOYSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H](CC(=O)N1CC=CC1)n1cc[nH+]c1 ZINC000910026510 639315824 /nfs/dbraw/zinc/31/58/24/639315824.db2.gz DJSXZZBJTTZNEA-JTQLQIEISA-N 1 2 205.261 1.233 20 0 BDADLO CC(C)C[C@@H](C(=O)N1CC=CC1)n1cc[nH+]c1 ZINC000910027229 639317214 /nfs/dbraw/zinc/31/72/14/639317214.db2.gz LKCRJSYXVJMJGO-LBPRGKRZSA-N 1 2 233.315 1.869 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000910933929 639534428 /nfs/dbraw/zinc/53/44/28/639534428.db2.gz XDKDSCWEWMEHLS-GRYCIOLGSA-N 1 2 247.342 1.996 20 0 BDADLO CCON(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000911553562 639667443 /nfs/dbraw/zinc/66/74/43/639667443.db2.gz RPUWJLDUXDPBTQ-UHFFFAOYSA-N 1 2 211.265 1.141 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2CO[C@@H](C)C2)c(C)[nH+]1 ZINC000911599841 639673360 /nfs/dbraw/zinc/67/33/60/639673360.db2.gz NCLUJZFZIUMQDM-CMPLNLGQSA-N 1 2 248.326 1.914 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000911610467 639676894 /nfs/dbraw/zinc/67/68/94/639676894.db2.gz XKWLJINUNPBNCD-LPEHRKFASA-N 1 2 219.288 1.257 20 0 BDADLO COC(=O)[C@H](C)N(C)Cc1cc(C)cc(C)[nH+]1 ZINC000930304176 639691636 /nfs/dbraw/zinc/69/16/36/639691636.db2.gz UIARHVZHMVCEDL-NSHDSACASA-N 1 2 236.315 1.692 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000930361808 639733058 /nfs/dbraw/zinc/73/30/58/639733058.db2.gz ZMIKWKZJLRQCKP-LBPRGKRZSA-N 1 2 242.294 1.452 20 0 BDADLO CCc1onc(C)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000930361808 639733070 /nfs/dbraw/zinc/73/30/70/639733070.db2.gz ZMIKWKZJLRQCKP-LBPRGKRZSA-N 1 2 242.294 1.452 20 0 BDADLO CC[C@@H]1C[N@H+](CCOC2CC2)C[C@@H](C)[S@]1=O ZINC000930458227 639758614 /nfs/dbraw/zinc/75/86/14/639758614.db2.gz MXNNHVMICRLUMM-NSODJVPESA-N 1 2 245.388 1.397 20 0 BDADLO CC[C@@H]1C[N@@H+](CCOC2CC2)C[C@@H](C)[S@]1=O ZINC000930458227 639758616 /nfs/dbraw/zinc/75/86/16/639758616.db2.gz MXNNHVMICRLUMM-NSODJVPESA-N 1 2 245.388 1.397 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1noc2c1COCC2 ZINC000930475107 639771592 /nfs/dbraw/zinc/77/15/92/639771592.db2.gz ALCMYTQIMLXKCB-SECBINFHSA-N 1 2 240.303 1.214 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1noc2c1COCC2 ZINC000930475107 639771608 /nfs/dbraw/zinc/77/16/08/639771608.db2.gz ALCMYTQIMLXKCB-SECBINFHSA-N 1 2 240.303 1.214 20 0 BDADLO C[C@]1(F)CCC[N@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000930596932 639816012 /nfs/dbraw/zinc/81/60/12/639816012.db2.gz YZOVFWLYKWRFOX-MNOVXSKESA-N 1 2 249.351 1.388 20 0 BDADLO C[C@]1(F)CCC[N@@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000930596932 639816013 /nfs/dbraw/zinc/81/60/13/639816013.db2.gz YZOVFWLYKWRFOX-MNOVXSKESA-N 1 2 249.351 1.388 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nncs2)CC1(C)C ZINC000930639623 639834107 /nfs/dbraw/zinc/83/41/07/639834107.db2.gz IOAWXTOGFVBDES-SECBINFHSA-N 1 2 241.360 1.785 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nncs2)CC1(C)C ZINC000930639623 639834108 /nfs/dbraw/zinc/83/41/08/639834108.db2.gz IOAWXTOGFVBDES-SECBINFHSA-N 1 2 241.360 1.785 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC=C(Cl)C1 ZINC000911830669 639842903 /nfs/dbraw/zinc/84/29/03/639842903.db2.gz JKWNMFUOLPMCOK-UHFFFAOYSA-N 1 2 225.679 1.307 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)CC1CC(C)C1 ZINC000930653415 639846994 /nfs/dbraw/zinc/84/69/94/639846994.db2.gz XWFCAMABVQRXKL-KYHHOPLUSA-N 1 2 221.291 1.980 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)CC1CC(C)C1 ZINC000930653415 639846996 /nfs/dbraw/zinc/84/69/96/639846996.db2.gz XWFCAMABVQRXKL-KYHHOPLUSA-N 1 2 221.291 1.980 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c(F)cncc1F ZINC000930653000 639847549 /nfs/dbraw/zinc/84/75/49/639847549.db2.gz RLLJFKJVJJNUEF-RDDDGLTNSA-N 1 2 228.242 1.315 20 0 BDADLO 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1.267 20 0 BDADLO CO[C@@H]1C[N@H+](CCCC(C)(F)F)CCO1 ZINC000931034887 640018467 /nfs/dbraw/zinc/01/84/67/640018467.db2.gz BDHPTUJXWZMHGQ-VIFPVBQESA-N 1 2 223.263 1.727 20 0 BDADLO CO[C@@H]1C[N@@H+](CCCC(C)(F)F)CCO1 ZINC000931034887 640018475 /nfs/dbraw/zinc/01/84/75/640018475.db2.gz BDHPTUJXWZMHGQ-VIFPVBQESA-N 1 2 223.263 1.727 20 0 BDADLO CC1(C)CC[C@H](CO)[N@H+](Cc2nncs2)C1 ZINC000931102412 640067030 /nfs/dbraw/zinc/06/70/30/640067030.db2.gz FQFYSFLNLWIDNF-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)CC[C@H](CO)[N@@H+](Cc2nncs2)C1 ZINC000931102412 640067037 /nfs/dbraw/zinc/06/70/37/640067037.db2.gz FQFYSFLNLWIDNF-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(F)CCNC(=O)CNc1cccc[nH+]1 ZINC000912466204 640072006 /nfs/dbraw/zinc/07/20/06/640072006.db2.gz KLWJNCYZMGRVTL-UHFFFAOYSA-N 1 2 239.294 1.748 20 0 BDADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000912503529 640098640 /nfs/dbraw/zinc/09/86/40/640098640.db2.gz KXKSCJSYEFMOHH-KOLCDFICSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)NC1CSC1 ZINC000931224575 640105488 /nfs/dbraw/zinc/10/54/88/640105488.db2.gz MQCDNIHLAVDITQ-UHFFFAOYSA-N 1 2 248.311 1.571 20 0 BDADLO CCCC[C@H](CC)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000931233923 640107428 /nfs/dbraw/zinc/10/74/28/640107428.db2.gz FVOSCBKGLZSRCF-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CCCC[C@H](CC)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931233923 640107429 /nfs/dbraw/zinc/10/74/29/640107429.db2.gz FVOSCBKGLZSRCF-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CC(C)CC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000912705960 640172154 /nfs/dbraw/zinc/17/21/54/640172154.db2.gz LPWCITVGBLUCEE-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CC[C@@H]2C(F)F)C[C@H](C)O1 ZINC000931425639 640194722 /nfs/dbraw/zinc/19/47/22/640194722.db2.gz GDGPMJMVCXCAOR-OUAUKWLOSA-N 1 2 248.317 1.435 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CC[C@@H]2C(F)F)C[C@H](C)O1 ZINC000931425639 640194728 /nfs/dbraw/zinc/19/47/28/640194728.db2.gz GDGPMJMVCXCAOR-OUAUKWLOSA-N 1 2 248.317 1.435 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931460511 640218243 /nfs/dbraw/zinc/21/82/43/640218243.db2.gz YDDIWHWBBMOSRG-WXLQGSQKSA-N 1 2 249.314 1.448 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931460511 640218251 /nfs/dbraw/zinc/21/82/51/640218251.db2.gz YDDIWHWBBMOSRG-WXLQGSQKSA-N 1 2 249.314 1.448 20 0 BDADLO Cc1nc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)[nH]c1C ZINC000931468405 640225580 /nfs/dbraw/zinc/22/55/80/640225580.db2.gz XRCJSLYZORNNAK-MRVPVSSYSA-N 1 2 245.330 1.869 20 0 BDADLO Cc1nc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)[nH]c1C ZINC000931468405 640225583 /nfs/dbraw/zinc/22/55/83/640225583.db2.gz XRCJSLYZORNNAK-MRVPVSSYSA-N 1 2 245.330 1.869 20 0 BDADLO Cc1[nH]c(CN2Cc3c[nH]nc3[C@H](C)C2)[nH+]c1C ZINC000931468405 640225588 /nfs/dbraw/zinc/22/55/88/640225588.db2.gz XRCJSLYZORNNAK-MRVPVSSYSA-N 1 2 245.330 1.869 20 0 BDADLO CCN(C#N)CC[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931468514 640227321 /nfs/dbraw/zinc/22/73/21/640227321.db2.gz ZROWUZSBQHCJSV-SNVBAGLBSA-N 1 2 233.319 1.132 20 0 BDADLO CCN(C#N)CC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931468514 640227324 /nfs/dbraw/zinc/22/73/24/640227324.db2.gz ZROWUZSBQHCJSV-SNVBAGLBSA-N 1 2 233.319 1.132 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCC12CC2 ZINC000913427449 640367362 /nfs/dbraw/zinc/36/73/62/640367362.db2.gz NOFNFLWJOMEMQL-JTQLQIEISA-N 1 2 219.288 1.401 20 0 BDADLO CC/C(C)=C\C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452599 640372354 /nfs/dbraw/zinc/37/23/54/640372354.db2.gz CONQWVIQCBKYBO-GYGFLDJKSA-N 1 2 248.330 1.239 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)no1 ZINC000931934722 640395088 /nfs/dbraw/zinc/39/50/88/640395088.db2.gz ULLMHHILGIXXDG-SNVBAGLBSA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)no1 ZINC000931934722 640395094 /nfs/dbraw/zinc/39/50/94/640395094.db2.gz ULLMHHILGIXXDG-SNVBAGLBSA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccon3)C2)no1 ZINC000931941503 640400556 /nfs/dbraw/zinc/40/05/56/640400556.db2.gz QEPQBAPZYYQVCD-SECBINFHSA-N 1 2 234.259 1.356 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccon3)C2)no1 ZINC000931941503 640400565 /nfs/dbraw/zinc/40/05/65/640400565.db2.gz QEPQBAPZYYQVCD-SECBINFHSA-N 1 2 234.259 1.356 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932260706 640462739 /nfs/dbraw/zinc/46/27/39/640462739.db2.gz GCYUOGPXNJTILW-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932260706 640462744 /nfs/dbraw/zinc/46/27/44/640462744.db2.gz GCYUOGPXNJTILW-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1cc(CNCCn2cc[nH+]c2C)no1 ZINC000044724561 640462941 /nfs/dbraw/zinc/46/29/41/640462941.db2.gz SRDHHIIVDHUUNE-UHFFFAOYSA-N 1 2 220.276 1.278 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)CC2)no1 ZINC000932337118 640481835 /nfs/dbraw/zinc/48/18/35/640481835.db2.gz WGWQKQAQWJZDAP-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)CC2)no1 ZINC000932337118 640481837 /nfs/dbraw/zinc/48/18/37/640481837.db2.gz WGWQKQAQWJZDAP-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCO[C@H](C)CC2)n1 ZINC000932350442 640494864 /nfs/dbraw/zinc/49/48/64/640494864.db2.gz LQPGTBNJXARQLP-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCO[C@H](C)CC2)n1 ZINC000932350442 640494867 /nfs/dbraw/zinc/49/48/67/640494867.db2.gz LQPGTBNJXARQLP-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc(C[NH2+][C@H](c2ccccn2)C2CC2)[nH]1 ZINC000932384213 640511876 /nfs/dbraw/zinc/51/18/76/640511876.db2.gz HBGBKGKMTQVINR-ZDUSSCGKSA-N 1 2 243.314 1.749 20 0 BDADLO CCN(CC)C(=O)C[NH2+]Cc1nccs1 ZINC000156961986 640520589 /nfs/dbraw/zinc/52/05/89/640520589.db2.gz ZEWHIVOIECZZBI-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CCC(=O)NC1C[NH+](Cc2cccc(C)c2)C1 ZINC001030036102 640523864 /nfs/dbraw/zinc/52/38/64/640523864.db2.gz UHEDHYFBVPMDKW-UHFFFAOYSA-N 1 2 232.327 1.705 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001030043886 640537523 /nfs/dbraw/zinc/53/75/23/640537523.db2.gz KJNRNXQPDKKTFX-UHFFFAOYSA-N 1 2 222.332 1.553 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCn3cccc3C2)n1 ZINC000932525433 640563146 /nfs/dbraw/zinc/56/31/46/640563146.db2.gz XTCSLHIRHANPPV-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCn3cccc3C2)n1 ZINC000932525433 640563152 /nfs/dbraw/zinc/56/31/52/640563152.db2.gz XTCSLHIRHANPPV-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO COC(=O)CCC[N@@H+]1CCn2cccc2C1 ZINC000932526929 640567348 /nfs/dbraw/zinc/56/73/48/640567348.db2.gz ZHPTUDTWNYAXMA-UHFFFAOYSA-N 1 2 222.288 1.257 20 0 BDADLO COC(=O)CCC[N@H+]1CCn2cccc2C1 ZINC000932526929 640567357 /nfs/dbraw/zinc/56/73/57/640567357.db2.gz ZHPTUDTWNYAXMA-UHFFFAOYSA-N 1 2 222.288 1.257 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2cnn[nH]2)cc1C ZINC000932571333 640577984 /nfs/dbraw/zinc/57/79/84/640577984.db2.gz ZETDRVHDKXZDIW-JTQLQIEISA-N 1 2 246.314 1.973 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604154 640582356 /nfs/dbraw/zinc/58/23/56/640582356.db2.gz LCUWZOUEPWFCDH-GFCCVEGCSA-N 1 2 235.331 1.347 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604154 640582359 /nfs/dbraw/zinc/58/23/59/640582359.db2.gz LCUWZOUEPWFCDH-GFCCVEGCSA-N 1 2 235.331 1.347 20 0 BDADLO COC[C@H](C)[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600819 640584085 /nfs/dbraw/zinc/58/40/85/640584085.db2.gz FYLHMAYFFMWQDC-JTQLQIEISA-N 1 2 235.331 1.611 20 0 BDADLO COC[C@H](C)[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600819 640584093 /nfs/dbraw/zinc/58/40/93/640584093.db2.gz FYLHMAYFFMWQDC-JTQLQIEISA-N 1 2 235.331 1.611 20 0 BDADLO CCSCC[N@@H+]1CC(=O)CC[C@H]1C ZINC000932869357 640631073 /nfs/dbraw/zinc/63/10/73/640631073.db2.gz AFYNYVQBXXZBQJ-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CCSCC[N@H+]1CC(=O)CC[C@H]1C ZINC000932869357 640631076 /nfs/dbraw/zinc/63/10/76/640631076.db2.gz AFYNYVQBXXZBQJ-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CCN(C#N)CCN1CCc2c([nH+]cn2CC)C1 ZINC000933252400 640689863 /nfs/dbraw/zinc/68/98/63/640689863.db2.gz BOMNWYCXQDPITQ-UHFFFAOYSA-N 1 2 247.346 1.064 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1cnccc1C ZINC000933337926 640705870 /nfs/dbraw/zinc/70/58/70/640705870.db2.gz WTXUFYJGXFUERW-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1cnccc1C ZINC000933337926 640705871 /nfs/dbraw/zinc/70/58/71/640705871.db2.gz WTXUFYJGXFUERW-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1ccc2c(c1)CCO2 ZINC000933490031 640721929 /nfs/dbraw/zinc/72/19/29/640721929.db2.gz PGJRDHDWGUXJAR-SECBINFHSA-N 1 2 245.282 1.855 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CC(C)(C)C2)C1 ZINC001030273388 640723160 /nfs/dbraw/zinc/72/31/60/640723160.db2.gz ZRUSUUYLUUTWJG-UHFFFAOYSA-N 1 2 210.321 1.243 20 0 BDADLO CC(C)(O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933832650 640769107 /nfs/dbraw/zinc/76/91/07/640769107.db2.gz RBBFGBYKPBCHLS-UHFFFAOYSA-N 1 2 233.271 1.064 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933869892 640776912 /nfs/dbraw/zinc/77/69/12/640776912.db2.gz GPQFSHMLHUGHGU-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2cc[nH]c2)C1 ZINC001030355009 640784113 /nfs/dbraw/zinc/78/41/13/640784113.db2.gz QJHKDRMCSMQANA-UHFFFAOYSA-N 1 2 233.315 1.395 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001030619371 640971426 /nfs/dbraw/zinc/97/14/26/640971426.db2.gz VXHHDPAUAVOLBW-UHFFFAOYSA-N 1 2 245.326 1.393 20 0 BDADLO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)C(F)F ZINC000230209848 641038346 /nfs/dbraw/zinc/03/83/46/641038346.db2.gz GVMPOICWWBNGQH-BQBZGAKWSA-N 1 2 209.236 1.381 20 0 BDADLO CNc1cc(N(C)Cc2ccoc2)nc[nH+]1 ZINC000087821423 641056616 /nfs/dbraw/zinc/05/66/16/641056616.db2.gz KUUBICVSPUTAIN-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO CNc1cc(N(C)Cc2ccoc2)[nH+]cn1 ZINC000087821423 641056620 /nfs/dbraw/zinc/05/66/20/641056620.db2.gz KUUBICVSPUTAIN-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000934105999 641067273 /nfs/dbraw/zinc/06/72/73/641067273.db2.gz ACEMAGDCDQSVOO-RYUDHWBXSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000934105999 641067277 /nfs/dbraw/zinc/06/72/77/641067277.db2.gz ACEMAGDCDQSVOO-RYUDHWBXSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nocc1C ZINC000934105245 641067607 /nfs/dbraw/zinc/06/76/07/641067607.db2.gz NLZOKXFEWBHJFS-GHMZBOCLSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nocc1C ZINC000934105245 641067610 /nfs/dbraw/zinc/06/76/10/641067610.db2.gz NLZOKXFEWBHJFS-GHMZBOCLSA-N 1 2 210.277 1.592 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)[C@@H]2CC[C@@H]2OC)[nH]1 ZINC000934110271 641075422 /nfs/dbraw/zinc/07/54/22/641075422.db2.gz XJZAEUIICDHYIB-AEJSXWLSSA-N 1 2 238.335 1.537 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)[C@@H]2CC[C@@H]2OC)[nH]1 ZINC000934110271 641075427 /nfs/dbraw/zinc/07/54/27/641075427.db2.gz XJZAEUIICDHYIB-AEJSXWLSSA-N 1 2 238.335 1.537 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(N)cn2)CC(C)(C)O1 ZINC000231297472 641158534 /nfs/dbraw/zinc/15/85/34/641158534.db2.gz ZNDBQFUHIZFREZ-VIFPVBQESA-N 1 2 236.319 1.058 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(N)cn2)CC(C)(C)O1 ZINC000231297472 641158541 /nfs/dbraw/zinc/15/85/41/641158541.db2.gz ZNDBQFUHIZFREZ-VIFPVBQESA-N 1 2 236.319 1.058 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934571643 641204934 /nfs/dbraw/zinc/20/49/34/641204934.db2.gz YEZAHJWJHGECKY-CHWSQXEVSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934571643 641204938 /nfs/dbraw/zinc/20/49/38/641204938.db2.gz YEZAHJWJHGECKY-CHWSQXEVSA-N 1 2 239.290 1.600 20 0 BDADLO CCOC(=O)C[NH2+]C(C)(C)CSC ZINC000934668953 641239452 /nfs/dbraw/zinc/23/94/52/641239452.db2.gz GFJAUJZGCJFRSS-UHFFFAOYSA-N 1 2 205.323 1.281 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@]12C[C@H]1CCC2 ZINC001030707231 641312269 /nfs/dbraw/zinc/31/22/69/641312269.db2.gz JSIVHUDIJHYGQP-ZWNOBZJWSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@H]1CCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935048835 641324077 /nfs/dbraw/zinc/32/40/77/641324077.db2.gz QKLDAJUSNZPEFY-VIFPVBQESA-N 1 2 231.255 1.082 20 0 BDADLO C[C@@H](c1nc(Cc2cncs2)no1)[NH+](C)C ZINC000350487191 641340139 /nfs/dbraw/zinc/34/01/39/641340139.db2.gz HZEWXXDPSZESTO-ZETCQYMHSA-N 1 2 238.316 1.740 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001030825130 641370881 /nfs/dbraw/zinc/37/08/81/641370881.db2.gz BBYFCSXCIINAST-UHFFFAOYSA-N 1 2 249.358 1.811 20 0 BDADLO C[C@@H](c1nc([C@@H]2CCOC[C@H]2C)no1)[NH+](C)C ZINC000350604461 641373381 /nfs/dbraw/zinc/37/33/81/641373381.db2.gz XNDWJOBFEUGBLX-KXUCPTDWSA-N 1 2 239.319 1.832 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C)CC=CC2)C1 ZINC001030895232 641407316 /nfs/dbraw/zinc/40/73/16/641407316.db2.gz DDYDYZPBIQHELH-UHFFFAOYSA-N 1 2 208.305 1.163 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CCC[C@H]2C)C1 ZINC001030905217 641413468 /nfs/dbraw/zinc/41/34/68/641413468.db2.gz GDXFOGLAKDVUJK-MFKMUULPSA-N 1 2 224.348 1.633 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C=CCC1 ZINC000935488770 641417457 /nfs/dbraw/zinc/41/74/57/641417457.db2.gz PVGJTRKKJYNYQY-RISCZKNCSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(NCCC1CC=CC1)NCCn1cc[nH+]c1 ZINC000913899952 641515607 /nfs/dbraw/zinc/51/56/07/641515607.db2.gz KSLWQALXQWDSJV-UHFFFAOYSA-N 1 2 248.330 1.539 20 0 BDADLO COc1nnc(C[N@H+](C)C[C@@H]2CCOC2)s1 ZINC000929791676 641566496 /nfs/dbraw/zinc/56/64/96/641566496.db2.gz BLTPZDVWJKBGNB-QMMMGPOBSA-N 1 2 243.332 1.015 20 0 BDADLO COc1nnc(C[N@@H+](C)C[C@@H]2CCOC2)s1 ZINC000929791676 641566501 /nfs/dbraw/zinc/56/65/01/641566501.db2.gz BLTPZDVWJKBGNB-QMMMGPOBSA-N 1 2 243.332 1.015 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001030997801 641575183 /nfs/dbraw/zinc/57/51/83/641575183.db2.gz VRCHCDKHYUFFMF-UHFFFAOYSA-N 1 2 246.310 1.055 20 0 BDADLO CCON(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000831455230 641596859 /nfs/dbraw/zinc/59/68/59/641596859.db2.gz WDIBQRMHAZXUAI-NXEZZACHSA-N 1 2 237.303 1.324 20 0 BDADLO CCOCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152650362 641625623 /nfs/dbraw/zinc/62/56/23/641625623.db2.gz WVJHZMWMOSWJAA-UHFFFAOYSA-N 1 2 237.303 1.431 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031048703 641644361 /nfs/dbraw/zinc/64/43/61/641644361.db2.gz VMUZUVONQOLZEQ-MNOVXSKESA-N 1 2 242.338 1.583 20 0 BDADLO C=C/C=C/CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000914404025 641661743 /nfs/dbraw/zinc/66/17/43/641661743.db2.gz NWZCBQULZKRXSP-ONEGZZNKSA-N 1 2 205.261 1.201 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CF)C1 ZINC000914426206 641667902 /nfs/dbraw/zinc/66/79/02/641667902.db2.gz AURIBKQPAZNAPC-JTQLQIEISA-N 1 2 225.267 1.091 20 0 BDADLO COC[C@H]([NH3+])c1nc(CCc2ccccc2)no1 ZINC000159336462 641676284 /nfs/dbraw/zinc/67/62/84/641676284.db2.gz IDCRAYBKCNCPFW-NSHDSACASA-N 1 2 247.298 1.501 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(O)cc2)no1 ZINC000159329138 641677389 /nfs/dbraw/zinc/67/73/89/641677389.db2.gz JZWIEXGMPCDUQF-VIFPVBQESA-N 1 2 235.243 1.088 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001031176964 641775272 /nfs/dbraw/zinc/77/52/72/641775272.db2.gz ZEIPQSYELKWUPN-CHWSQXEVSA-N 1 2 236.359 1.633 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001031178212 641776782 /nfs/dbraw/zinc/77/67/82/641776782.db2.gz OUAADCFZRGXJKV-WCQYABFASA-N 1 2 224.348 1.489 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)N1CCCCC1 ZINC000915257615 641812346 /nfs/dbraw/zinc/81/23/46/641812346.db2.gz WGWHHWKNUXYWBQ-UHFFFAOYSA-N 1 2 248.330 1.689 20 0 BDADLO COC[C@H](C)Cc1noc([C@H](C)[NH+](C)C)n1 ZINC000351475597 641827678 /nfs/dbraw/zinc/82/76/78/641827678.db2.gz KUXHARKIQDZMIG-BDAKNGLRSA-N 1 2 227.308 1.517 20 0 BDADLO c1coc(CSCC[NH+]2CCOCC2)c1 ZINC000915487756 641829337 /nfs/dbraw/zinc/82/93/37/641829337.db2.gz GOQJFHSBRBNPFY-UHFFFAOYSA-N 1 2 227.329 1.845 20 0 BDADLO OCC[C@@H]([NH2+]Cc1c[nH]cn1)c1cccs1 ZINC000077459637 641857234 /nfs/dbraw/zinc/85/72/34/641857234.db2.gz BXMGCPLYPQPFTD-SNVBAGLBSA-N 1 2 237.328 1.685 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(OC)cc2)C1 ZINC001031297768 641875097 /nfs/dbraw/zinc/87/50/97/641875097.db2.gz CQJHPRXIATZZBO-UHFFFAOYSA-N 1 2 234.299 1.129 20 0 BDADLO C[C@H]([NH2+]C/C=C/Cl)c1nnnn1C1CC1 ZINC000191470751 641923041 /nfs/dbraw/zinc/92/30/41/641923041.db2.gz XNKRPEATISAPHM-KNQJERJVSA-N 1 2 227.699 1.411 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001031317302 641961639 /nfs/dbraw/zinc/96/16/39/641961639.db2.gz VFKHAKJAIGLFKJ-UHFFFAOYSA-N 1 2 249.339 1.663 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(F)cc2F)C1 ZINC001031336882 641976795 /nfs/dbraw/zinc/97/67/95/641976795.db2.gz WNBJZQMXTTXUGN-UHFFFAOYSA-N 1 2 240.253 1.399 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)cc2C)C1 ZINC001031340393 641978853 /nfs/dbraw/zinc/97/88/53/641978853.db2.gz YTJJSKFNPSMJSJ-UHFFFAOYSA-N 1 2 232.327 1.737 20 0 BDADLO Cn1nc(C(F)(F)F)cc1Cn1cc[nH+]c1 ZINC000917358577 642043435 /nfs/dbraw/zinc/04/34/35/642043435.db2.gz BRPXGGJADJYXOJ-UHFFFAOYSA-N 1 2 230.193 1.684 20 0 BDADLO CCOC(=O)c1cc(Cn2cc[nH+]c2)on1 ZINC000917358631 642043449 /nfs/dbraw/zinc/04/34/49/642043449.db2.gz DBNBOLIVRDKHFN-UHFFFAOYSA-N 1 2 221.216 1.096 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@H]1CCC[C@H]1O ZINC000930094983 642382077 /nfs/dbraw/zinc/38/20/77/642382077.db2.gz APZZDAIPJAFSPG-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@H]1CCC[C@H]1O ZINC000930094983 642382081 /nfs/dbraw/zinc/38/20/81/642382081.db2.gz APZZDAIPJAFSPG-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933202973 642388126 /nfs/dbraw/zinc/38/81/26/642388126.db2.gz MQLOUFODFLODKO-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933202973 642388137 /nfs/dbraw/zinc/38/81/37/642388137.db2.gz MQLOUFODFLODKO-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO FC(F)(F)c1nccn1CCn1cc[nH+]c1 ZINC000919917871 642404058 /nfs/dbraw/zinc/40/40/58/642404058.db2.gz JIXVELJLOUEZHS-UHFFFAOYSA-N 1 2 230.193 1.799 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)CN1CCSC1=O ZINC000919947419 642413052 /nfs/dbraw/zinc/41/30/52/642413052.db2.gz NRDCVAGDNPZMPZ-JTQLQIEISA-N 1 2 244.360 1.614 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)CN1CCSC1=O ZINC000919947419 642413057 /nfs/dbraw/zinc/41/30/57/642413057.db2.gz NRDCVAGDNPZMPZ-JTQLQIEISA-N 1 2 244.360 1.614 20 0 BDADLO Cc1cc(C(=O)NCC2C[NH+](CCF)C2)co1 ZINC001031633913 642416345 /nfs/dbraw/zinc/41/63/45/642416345.db2.gz DWZISQPAZSNLJV-UHFFFAOYSA-N 1 2 240.278 1.219 20 0 BDADLO COc1nnc(C[NH+]2CCCCCC2)s1 ZINC000920257490 642461898 /nfs/dbraw/zinc/46/18/98/642461898.db2.gz YZKZABJXSMPWRD-UHFFFAOYSA-N 1 2 227.333 1.923 20 0 BDADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC1 ZINC000064441316 642659181 /nfs/dbraw/zinc/65/91/81/642659181.db2.gz CXZRWGKTVJWZCN-LLVKDONJSA-N 1 2 235.331 1.824 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCCCC(C)=O ZINC000175466067 642686967 /nfs/dbraw/zinc/68/69/67/642686967.db2.gz GCWVYAVDXUCJGK-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCCCC(C)=O ZINC000175466067 642686972 /nfs/dbraw/zinc/68/69/72/642686972.db2.gz GCWVYAVDXUCJGK-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CC[C@@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179513739 642722942 /nfs/dbraw/zinc/72/29/42/642722942.db2.gz HIJCJSZRNAXUDX-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001009804708 642838147 /nfs/dbraw/zinc/83/81/47/642838147.db2.gz XQDWBNVPCNGMHM-ONGXEEELSA-N 1 2 237.303 1.254 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001009804708 642838151 /nfs/dbraw/zinc/83/81/51/642838151.db2.gz XQDWBNVPCNGMHM-ONGXEEELSA-N 1 2 237.303 1.254 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010835112 642876358 /nfs/dbraw/zinc/87/63/58/642876358.db2.gz SGAOMLCFAPBBKV-SNVBAGLBSA-N 1 2 239.294 1.097 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010835112 642876359 /nfs/dbraw/zinc/87/63/59/642876359.db2.gz SGAOMLCFAPBBKV-SNVBAGLBSA-N 1 2 239.294 1.097 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000181501696 642878513 /nfs/dbraw/zinc/87/85/13/642878513.db2.gz WQVCQQAPPQJUIZ-GFCCVEGCSA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000181501696 642878515 /nfs/dbraw/zinc/87/85/15/642878515.db2.gz WQVCQQAPPQJUIZ-GFCCVEGCSA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000181501713 642878808 /nfs/dbraw/zinc/87/88/08/642878808.db2.gz WQVCQQAPPQJUIZ-LBPRGKRZSA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000181501713 642878811 /nfs/dbraw/zinc/87/88/11/642878811.db2.gz WQVCQQAPPQJUIZ-LBPRGKRZSA-N 1 2 229.320 1.032 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccccc1C ZINC000069794875 642907407 /nfs/dbraw/zinc/90/74/07/642907407.db2.gz YAWYDMNSFVEXRO-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069890311 642928005 /nfs/dbraw/zinc/92/80/05/642928005.db2.gz RPZSOXKOJNEZFH-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)CCO1 ZINC000932335348 643123243 /nfs/dbraw/zinc/12/32/43/643123243.db2.gz JRGCTBGGUVOGRA-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)CCO1 ZINC000932335348 643123250 /nfs/dbraw/zinc/12/32/50/643123250.db2.gz JRGCTBGGUVOGRA-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCO[C@H](C)CC2)o1 ZINC000932345772 643156195 /nfs/dbraw/zinc/15/61/95/643156195.db2.gz PSACOQGNQYMBQE-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCO[C@H](C)CC2)o1 ZINC000932345772 643156198 /nfs/dbraw/zinc/15/61/98/643156198.db2.gz PSACOQGNQYMBQE-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO O=C(Nc1ccns1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000889094435 643212149 /nfs/dbraw/zinc/21/21/49/643212149.db2.gz VAERPGWVLYBDLK-ZETCQYMHSA-N 1 2 249.299 1.086 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCC1 ZINC000082300750 643295791 /nfs/dbraw/zinc/29/57/91/643295791.db2.gz BOOFWQLHJFCOSN-UHFFFAOYSA-N 1 2 215.256 1.570 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1=CCCCO1 ZINC000072793470 643305052 /nfs/dbraw/zinc/30/50/52/643305052.db2.gz AJIRZHLHTHKKLV-UHFFFAOYSA-N 1 2 235.287 1.084 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCn2cccc2C1 ZINC000932526309 643348872 /nfs/dbraw/zinc/34/88/72/643348872.db2.gz JMSQVZKUOHURLY-UHFFFAOYSA-N 1 2 236.315 1.645 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCn2cccc2C1 ZINC000932526309 643348878 /nfs/dbraw/zinc/34/88/78/643348878.db2.gz JMSQVZKUOHURLY-UHFFFAOYSA-N 1 2 236.315 1.645 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@@H+]1CCn2cccc2C1 ZINC000932528793 643351563 /nfs/dbraw/zinc/35/15/63/643351563.db2.gz PWOAUOCAVAJWET-ZDUSSCGKSA-N 1 2 249.358 1.024 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@H+]1CCn2cccc2C1 ZINC000932528793 643351570 /nfs/dbraw/zinc/35/15/70/643351570.db2.gz PWOAUOCAVAJWET-ZDUSSCGKSA-N 1 2 249.358 1.024 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032235995 643380128 /nfs/dbraw/zinc/38/01/28/643380128.db2.gz LGMFYKAWZCPGIQ-CMIOBCHKSA-N 1 2 228.723 1.434 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001032235995 643380130 /nfs/dbraw/zinc/38/01/30/643380130.db2.gz LGMFYKAWZCPGIQ-CMIOBCHKSA-N 1 2 228.723 1.434 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000307200615 643420392 /nfs/dbraw/zinc/42/03/92/643420392.db2.gz DKPWXDKERCPDMT-YUMQZZPRSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000307200615 643420396 /nfs/dbraw/zinc/42/03/96/643420396.db2.gz DKPWXDKERCPDMT-YUMQZZPRSA-N 1 2 224.131 1.901 20 0 BDADLO CCN(CC)c1ccc(C=[NH+]NC(N)=O)cc1 ZINC000013111998 643584126 /nfs/dbraw/zinc/58/41/26/643584126.db2.gz XPPDVSPFQAFILG-UHFFFAOYSA-N 1 2 234.303 1.535 20 0 BDADLO C/C=C(/C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000255020718 643669203 /nfs/dbraw/zinc/66/92/03/643669203.db2.gz OIXLWVDQCSWTHS-WZUFQYTHSA-N 1 2 240.347 1.180 20 0 BDADLO CCOC[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000087824980 643676068 /nfs/dbraw/zinc/67/60/68/643676068.db2.gz JCHCVKWTUWGSID-QMMMGPOBSA-N 1 2 210.281 1.355 20 0 BDADLO CCOC[C@H](C)Nc1cc(NC)nc[nH+]1 ZINC000087824980 643676071 /nfs/dbraw/zinc/67/60/71/643676071.db2.gz JCHCVKWTUWGSID-QMMMGPOBSA-N 1 2 210.281 1.355 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccnn2C2CCC2)n1 ZINC000921949484 643832621 /nfs/dbraw/zinc/83/26/21/643832621.db2.gz YTUABPOTXIRHHQ-UHFFFAOYSA-N 1 2 245.330 1.631 20 0 BDADLO CC(C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922172233 643890092 /nfs/dbraw/zinc/89/00/92/643890092.db2.gz SBZYTGSJHOTUSB-UHFFFAOYSA-N 1 2 208.261 1.753 20 0 BDADLO Cc1cccc(C[NH+]2CC(O)(C(C)C)C2)n1 ZINC000086136571 643920871 /nfs/dbraw/zinc/92/08/71/643920871.db2.gz JMJRJMJMGBQXGX-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCCC23OCCO3)o1 ZINC000922260577 643927033 /nfs/dbraw/zinc/92/70/33/643927033.db2.gz ZYFKTVVEFQSJAF-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO Nc1ccc(COC(=O)C2=COCCC2)c[nH+]1 ZINC000922422997 643990428 /nfs/dbraw/zinc/99/04/28/643990428.db2.gz BFSRBPHIFOUNKF-UHFFFAOYSA-N 1 2 234.255 1.401 20 0 BDADLO CCC[C@@H](O)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922462710 643998002 /nfs/dbraw/zinc/99/80/02/643998002.db2.gz KFBBDIGTUQIUGU-SNVBAGLBSA-N 1 2 238.287 1.258 20 0 BDADLO C[C@H](C(=O)OCc1ccc(N)[nH+]c1)C1CC1 ZINC000922507190 644005240 /nfs/dbraw/zinc/00/52/40/644005240.db2.gz ADKMDQVYKUXGSK-QMMMGPOBSA-N 1 2 220.272 1.753 20 0 BDADLO CC[C@@H](C)[C@@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000922511629 644009644 /nfs/dbraw/zinc/00/96/44/644009644.db2.gz WIDJFPMVEUPLEI-PSASIEDQSA-N 1 2 238.287 1.114 20 0 BDADLO CC[C@@H](C)[C@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000922511630 644009716 /nfs/dbraw/zinc/00/97/16/644009716.db2.gz WIDJFPMVEUPLEI-SCZZXKLOSA-N 1 2 238.287 1.114 20 0 BDADLO CC(C)[C@H](O)CC(=O)OCc1ccc[nH+]c1N ZINC000922550889 644018068 /nfs/dbraw/zinc/01/80/68/644018068.db2.gz WTJMCZAUBZQWPL-SNVBAGLBSA-N 1 2 238.287 1.114 20 0 BDADLO c1cc(C[NH2+]CCc2nc3c(s2)CCC3)[nH]n1 ZINC000922714781 644073499 /nfs/dbraw/zinc/07/34/99/644073499.db2.gz LESBBTWHUNJSNL-UHFFFAOYSA-N 1 2 248.355 1.687 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1(CCF)CC1 ZINC000922747689 644084724 /nfs/dbraw/zinc/08/47/24/644084724.db2.gz VSYBJLIZLXQXMX-UHFFFAOYSA-N 1 2 238.262 1.847 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922776047 644092413 /nfs/dbraw/zinc/09/24/13/644092413.db2.gz OQSUNPVXBBSKAG-NXEZZACHSA-N 1 2 220.272 1.753 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CC12CC2 ZINC000922811862 644098793 /nfs/dbraw/zinc/09/87/93/644098793.db2.gz PMEHAKYYVJUQAV-VIFPVBQESA-N 1 2 218.256 1.507 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CCC(=O)C2)c[nH+]1 ZINC000922833550 644112651 /nfs/dbraw/zinc/11/26/51/644112651.db2.gz JLSULBLXMNOFAD-VIFPVBQESA-N 1 2 234.255 1.076 20 0 BDADLO CCc1nocc1C(=O)OCc1ccc[nH+]c1N ZINC000922906559 644186193 /nfs/dbraw/zinc/18/61/93/644186193.db2.gz ZJZPSVHONLPEFR-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cc(C3CC3)nn2C)n1 ZINC000922946581 644198362 /nfs/dbraw/zinc/19/83/62/644198362.db2.gz AWXZXNNCFHRECS-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cocn1 ZINC000922990553 644216254 /nfs/dbraw/zinc/21/62/54/644216254.db2.gz PCASZNAJPCGAKI-KGLIPLIRSA-N 1 2 244.294 1.813 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cc[nH]n1 ZINC000922988063 644217162 /nfs/dbraw/zinc/21/71/62/644217162.db2.gz JWOXONAKLIPFDS-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(F)(F)F)C[C@@H]1C ZINC000081573666 644334117 /nfs/dbraw/zinc/33/41/17/644334117.db2.gz SZSBYTUCDVSHJM-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(F)(F)F)C[C@@H]1C ZINC000081573666 644334125 /nfs/dbraw/zinc/33/41/25/644334125.db2.gz SZSBYTUCDVSHJM-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO C[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000082271870 644365335 /nfs/dbraw/zinc/36/53/35/644365335.db2.gz XKOCYGXEWDHLJG-UHFFFAOYSA-N 1 2 247.273 1.085 20 0 BDADLO CC[C@@H](C)[C@H](C[NH2+]CC(F)(F)CO)OC ZINC000639053426 644588872 /nfs/dbraw/zinc/58/88/72/644588872.db2.gz HJNRZFVGFAXUPT-BDAKNGLRSA-N 1 2 225.279 1.265 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@H]2CCOC2=O)C[C@@H]1OC ZINC000247887083 644653987 /nfs/dbraw/zinc/65/39/87/644653987.db2.gz DIKDFNDQRSBDGU-AXFHLTTASA-N 1 2 241.331 1.485 20 0 BDADLO Cn1c2ccncc2n(C[N@H+](C)C2CCC2)c1=O ZINC000765038532 644661965 /nfs/dbraw/zinc/66/19/65/644661965.db2.gz VVMDLHPOOUSWQR-UHFFFAOYSA-N 1 2 246.314 1.177 20 0 BDADLO Cn1c2ccncc2n(C[N@@H+](C)C2CCC2)c1=O ZINC000765038532 644661967 /nfs/dbraw/zinc/66/19/67/644661967.db2.gz VVMDLHPOOUSWQR-UHFFFAOYSA-N 1 2 246.314 1.177 20 0 BDADLO O=C1C[N@H+](C/C=C\c2ccc(F)cc2)CCCN1 ZINC000769113084 644678842 /nfs/dbraw/zinc/67/88/42/644678842.db2.gz AKERAEFEWWSRDA-IWQZZHSRSA-N 1 2 248.301 1.661 20 0 BDADLO O=C1C[N@@H+](C/C=C\c2ccc(F)cc2)CCCN1 ZINC000769113084 644678845 /nfs/dbraw/zinc/67/88/45/644678845.db2.gz AKERAEFEWWSRDA-IWQZZHSRSA-N 1 2 248.301 1.661 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213390 644710697 /nfs/dbraw/zinc/71/06/97/644710697.db2.gz HWKKMEVTRXUWSX-LLMHMKPQSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OC(C)(C)C ZINC000094801694 644728800 /nfs/dbraw/zinc/72/88/00/644728800.db2.gz VLBLHLZSJCUBDG-MFKMUULPSA-N 1 2 243.347 1.875 20 0 BDADLO CC(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000957992542 644766644 /nfs/dbraw/zinc/76/66/44/644766644.db2.gz QNNCRLUGPNRMBW-JTWDEYCDSA-N 1 2 249.141 1.372 20 0 BDADLO CC(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000957992542 644766650 /nfs/dbraw/zinc/76/66/50/644766650.db2.gz QNNCRLUGPNRMBW-JTWDEYCDSA-N 1 2 249.141 1.372 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250670123 644775811 /nfs/dbraw/zinc/77/58/11/644775811.db2.gz LMFRZFHRBVWGPY-LMLFDSFASA-N 1 2 229.320 1.484 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC1(C)C ZINC000793243061 644801484 /nfs/dbraw/zinc/80/14/84/644801484.db2.gz RHHCSRJTNKUUSU-JTQLQIEISA-N 1 2 222.288 1.552 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CCC1CC1 ZINC000793240433 644801921 /nfs/dbraw/zinc/80/19/21/644801921.db2.gz ZWHMKLCPUQXLMO-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO Cc1ccncc1C(=O)OCCc1c[nH+]cn1C ZINC000793239799 644801934 /nfs/dbraw/zinc/80/19/34/644801934.db2.gz UWGBGZDIUIQQBP-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000251768884 644819876 /nfs/dbraw/zinc/81/98/76/644819876.db2.gz IEFGPZRFERERFD-QJPTWQEYSA-N 1 2 241.331 1.856 20 0 BDADLO CS[C@H]1CC[C@@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000304536620 644915275 /nfs/dbraw/zinc/91/52/75/644915275.db2.gz VDWHXWVSOVQOIG-SFYZADRCSA-N 1 2 239.348 1.458 20 0 BDADLO CS[C@H]1CC[C@@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000304536620 644915280 /nfs/dbraw/zinc/91/52/80/644915280.db2.gz VDWHXWVSOVQOIG-SFYZADRCSA-N 1 2 239.348 1.458 20 0 BDADLO Cc1nc(NC[C@H](C)C(C)(C)C)nc(N)[nH+]1 ZINC000304534383 644915311 /nfs/dbraw/zinc/91/53/11/644915311.db2.gz UTQCYADMRSIRMZ-ZETCQYMHSA-N 1 2 223.324 1.856 20 0 BDADLO Cc1nc(N)nc(NC[C@H](C)C(C)(C)C)[nH+]1 ZINC000304534383 644915318 /nfs/dbraw/zinc/91/53/18/644915318.db2.gz UTQCYADMRSIRMZ-ZETCQYMHSA-N 1 2 223.324 1.856 20 0 BDADLO CCNC(=S)NCc1cc(C)[nH+]c(C)c1 ZINC000817560528 644988693 /nfs/dbraw/zinc/98/86/93/644988693.db2.gz NVKSHARIEISIEM-UHFFFAOYSA-N 1 2 223.345 1.682 20 0 BDADLO CC(C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828068212 645093639 /nfs/dbraw/zinc/09/36/39/645093639.db2.gz FODSPXSNTPVJDY-NSHDSACASA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(F)(F)F ZINC000836948558 645183908 /nfs/dbraw/zinc/18/39/08/645183908.db2.gz RMZXKRNSGKIQPX-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(F)(F)F ZINC000836948558 645183910 /nfs/dbraw/zinc/18/39/10/645183910.db2.gz RMZXKRNSGKIQPX-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cnn(C)n2)cn1 ZINC000926539746 645264454 /nfs/dbraw/zinc/26/44/54/645264454.db2.gz AHVHOFNUQXBQSI-NXEZZACHSA-N 1 2 248.334 1.443 20 0 BDADLO CC[C@@H](C)C[N@H+](CC)Cn1nc(C)n(C)c1=O ZINC000844693659 645344854 /nfs/dbraw/zinc/34/48/54/645344854.db2.gz GLFIJTGDIWMXPG-SNVBAGLBSA-N 1 2 240.351 1.216 20 0 BDADLO CC[C@@H](C)C[N@@H+](CC)Cn1nc(C)n(C)c1=O ZINC000844693659 645344857 /nfs/dbraw/zinc/34/48/57/645344857.db2.gz GLFIJTGDIWMXPG-SNVBAGLBSA-N 1 2 240.351 1.216 20 0 BDADLO CON1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000846980540 645411765 /nfs/dbraw/zinc/41/17/65/645411765.db2.gz WBRPPMQZVNPRDL-UHFFFAOYSA-N 1 2 227.333 1.131 20 0 BDADLO Cn1c(C[N@@H+]2CCC[C@@H](O)C2)cnc1Cl ZINC000848876009 645442030 /nfs/dbraw/zinc/44/20/30/645442030.db2.gz FNTVVFQCVFYMBO-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(C[N@H+]2CCC[C@@H](O)C2)cnc1Cl ZINC000848876009 645442035 /nfs/dbraw/zinc/44/20/35/645442035.db2.gz FNTVVFQCVFYMBO-SECBINFHSA-N 1 2 229.711 1.030 20 0 BDADLO FC(F)[C@@H]1C[N@@H+]([C@H]2CO[C@H](C3CC3)C2)CCO1 ZINC000926820477 645443367 /nfs/dbraw/zinc/44/33/67/645443367.db2.gz BYQJSHGOHYXVFC-VWYCJHECSA-N 1 2 247.285 1.520 20 0 BDADLO FC(F)[C@@H]1C[N@H+]([C@H]2CO[C@H](C3CC3)C2)CCO1 ZINC000926820477 645443371 /nfs/dbraw/zinc/44/33/71/645443371.db2.gz BYQJSHGOHYXVFC-VWYCJHECSA-N 1 2 247.285 1.520 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000926818218 645443673 /nfs/dbraw/zinc/44/36/73/645443673.db2.gz XBDNVHHQDZDSIT-PSASIEDQSA-N 1 2 247.302 1.760 20 0 BDADLO C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000852469490 645485449 /nfs/dbraw/zinc/48/54/49/645485449.db2.gz HIXGGGPOYYBLCV-ZWKOPEQDSA-N 1 2 231.295 1.620 20 0 BDADLO O=C1CCN1C[NH+]1CCC(c2ccon2)CC1 ZINC000857237170 645541590 /nfs/dbraw/zinc/54/15/90/645541590.db2.gz PQNLCNHBRRJCKW-UHFFFAOYSA-N 1 2 235.287 1.044 20 0 BDADLO CN(Cc1ccc(F)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000857430872 645554407 /nfs/dbraw/zinc/55/44/07/645554407.db2.gz BHCJWZGOORIDSW-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)c1cccnc1 ZINC000857450895 645565251 /nfs/dbraw/zinc/56/52/51/645565251.db2.gz ONVVTQRWFQIMEJ-UHFFFAOYSA-N 1 2 216.244 1.010 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)cnc1F ZINC000857711667 645658085 /nfs/dbraw/zinc/65/80/85/645658085.db2.gz YEYHXAKDSZCKDH-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO COC[C@]1(C)C[N@H+](C/C=C\Cl)CCO1 ZINC000860200251 645687543 /nfs/dbraw/zinc/68/75/43/645687543.db2.gz QVYPHLZHOMVUSS-XOULXFPDSA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@]1(C)C[N@@H+](C/C=C\Cl)CCO1 ZINC000860200251 645687552 /nfs/dbraw/zinc/68/75/52/645687552.db2.gz QVYPHLZHOMVUSS-XOULXFPDSA-N 1 2 219.712 1.476 20 0 BDADLO CC(=O)CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928560462 645819547 /nfs/dbraw/zinc/81/95/47/645819547.db2.gz WDTJWARXFBJQTK-NSHDSACASA-N 1 2 240.347 1.202 20 0 BDADLO CC(=O)CCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928560462 645819552 /nfs/dbraw/zinc/81/95/52/645819552.db2.gz WDTJWARXFBJQTK-NSHDSACASA-N 1 2 240.347 1.202 20 0 BDADLO CC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000928560349 645821259 /nfs/dbraw/zinc/82/12/59/645821259.db2.gz UHUZSOWFDRQEAP-ZDUSSCGKSA-N 1 2 246.310 1.323 20 0 BDADLO CC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000928560349 645821262 /nfs/dbraw/zinc/82/12/62/645821262.db2.gz UHUZSOWFDRQEAP-ZDUSSCGKSA-N 1 2 246.310 1.323 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2COC[C@H]2C)c(C)[nH+]1 ZINC000928899677 645884592 /nfs/dbraw/zinc/88/45/92/645884592.db2.gz XCFJLCJGRIANNU-SKDRFNHKSA-N 1 2 248.326 1.772 20 0 BDADLO C[C@H](c1nc(C[C@H]2CCCO2)no1)[NH+](C)C ZINC000923962759 645967196 /nfs/dbraw/zinc/96/71/96/645967196.db2.gz DYDLUQQSIXFUPY-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO COC1(c2noc([C@@H](C)[NH+](C)C)n2)CCC1 ZINC000923961037 645968140 /nfs/dbraw/zinc/96/81/40/645968140.db2.gz OTVLGMNOUDQPCI-MRVPVSSYSA-N 1 2 225.292 1.718 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000924025987 645971800 /nfs/dbraw/zinc/97/18/00/645971800.db2.gz TYWKFEFCMOBIFX-PKZYVASSSA-N 1 2 233.315 1.361 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000929188931 645994658 /nfs/dbraw/zinc/99/46/58/645994658.db2.gz MLGQVXXYOAZHAA-LMMOQWNQSA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCn2cccc2[C@H]1C ZINC000929188931 645994663 /nfs/dbraw/zinc/99/46/63/645994663.db2.gz MLGQVXXYOAZHAA-LMMOQWNQSA-N 1 2 248.326 1.984 20 0 BDADLO CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929221003 646020401 /nfs/dbraw/zinc/02/04/01/646020401.db2.gz IILRWQBWJDNFBK-UHFFFAOYSA-N 1 2 203.245 1.703 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)CCc1ccns1 ZINC000929228652 646023862 /nfs/dbraw/zinc/02/38/62/646023862.db2.gz CHAAKPQSBMOJOG-UHFFFAOYSA-N 1 2 241.360 1.142 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)CCc1ccns1 ZINC000929228652 646023864 /nfs/dbraw/zinc/02/38/64/646023864.db2.gz CHAAKPQSBMOJOG-UHFFFAOYSA-N 1 2 241.360 1.142 20 0 BDADLO Nc1cc(COC(=O)[C@]23C[C@H]2CCC3)cc[nH+]1 ZINC000924431571 646035084 /nfs/dbraw/zinc/03/50/84/646035084.db2.gz AJRIDVDDGHEBQO-ZWNOBZJWSA-N 1 2 232.283 1.897 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccccc1CO ZINC000924760518 646102918 /nfs/dbraw/zinc/10/29/18/646102918.db2.gz IDGQLZAAWQDNOV-VIFPVBQESA-N 1 2 247.298 1.721 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(CO)on1 ZINC000924898790 646128627 /nfs/dbraw/zinc/12/86/27/646128627.db2.gz AXUYGKSUASDPBV-VIFPVBQESA-N 1 2 248.282 1.723 20 0 BDADLO OCC[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929533529 646176486 /nfs/dbraw/zinc/17/64/86/646176486.db2.gz YDDHERRILRVVGM-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OCC[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929533529 646176489 /nfs/dbraw/zinc/17/64/89/646176489.db2.gz YDDHERRILRVVGM-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO CC(C)n1ccc(C[NH2+][C@H](C)c2cnnn2C)n1 ZINC000925105885 646186676 /nfs/dbraw/zinc/18/66/76/646186676.db2.gz KBFAYLIPTQNGOK-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ncco1 ZINC000925278699 646229918 /nfs/dbraw/zinc/22/99/18/646229918.db2.gz ZVHJOADSULFMDP-BDAKNGLRSA-N 1 2 246.332 1.148 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000929680133 646237667 /nfs/dbraw/zinc/23/76/67/646237667.db2.gz LAPAJKAVZFVMCE-WAPUDMESSA-N 1 2 245.388 1.420 20 0 BDADLO COC/C(C)=C/C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000929680133 646237672 /nfs/dbraw/zinc/23/76/72/646237672.db2.gz LAPAJKAVZFVMCE-WAPUDMESSA-N 1 2 245.388 1.420 20 0 BDADLO COc1nnc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)s1 ZINC000929713652 646266978 /nfs/dbraw/zinc/26/69/78/646266978.db2.gz OGWKUVGAXWEMLT-OCAPTIKFSA-N 1 2 239.344 1.635 20 0 BDADLO COc1nnc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)s1 ZINC000929713652 646266989 /nfs/dbraw/zinc/26/69/89/646266989.db2.gz OGWKUVGAXWEMLT-OCAPTIKFSA-N 1 2 239.344 1.635 20 0 BDADLO CC(C)OCc1noc(C[N@H+](C)C2CCC2)n1 ZINC000929720965 646272906 /nfs/dbraw/zinc/27/29/06/646272906.db2.gz VHHWIMKGVUREDN-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO CC(C)OCc1noc(C[N@@H+](C)C2CCC2)n1 ZINC000929720965 646272911 /nfs/dbraw/zinc/27/29/11/646272911.db2.gz VHHWIMKGVUREDN-UHFFFAOYSA-N 1 2 239.319 1.979 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925550694 646328584 /nfs/dbraw/zinc/32/85/84/646328584.db2.gz NNRCQXCUALHDEZ-AVGNSLFASA-N 1 2 246.358 1.471 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925550694 646328590 /nfs/dbraw/zinc/32/85/90/646328590.db2.gz NNRCQXCUALHDEZ-AVGNSLFASA-N 1 2 246.358 1.471 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ncco1 ZINC000925570641 646340221 /nfs/dbraw/zinc/34/02/21/646340221.db2.gz KZAXWCYBIBNWPO-GARJFASQSA-N 1 2 239.319 1.044 20 0 BDADLO Cc1cncc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000925642740 646384620 /nfs/dbraw/zinc/38/46/20/646384620.db2.gz BTXWENKERFVPGQ-ZYHUDNBSSA-N 1 2 243.314 1.777 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000930012925 646393813 /nfs/dbraw/zinc/39/38/13/646393813.db2.gz FGMJNPOLZRTFAM-ONGXEEELSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000930012925 646393818 /nfs/dbraw/zinc/39/38/18/646393818.db2.gz FGMJNPOLZRTFAM-ONGXEEELSA-N 1 2 239.319 1.429 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000930060651 646414317 /nfs/dbraw/zinc/41/43/17/646414317.db2.gz NKDJUFITAUWXNX-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000930060651 646414320 /nfs/dbraw/zinc/41/43/20/646414320.db2.gz NKDJUFITAUWXNX-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000930060649 646415586 /nfs/dbraw/zinc/41/55/86/646415586.db2.gz NKDJUFITAUWXNX-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000930060649 646415588 /nfs/dbraw/zinc/41/55/88/646415588.db2.gz NKDJUFITAUWXNX-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO COc1nnc(C[N@H+](C)CCC2CC2)s1 ZINC000930064463 646417938 /nfs/dbraw/zinc/41/79/38/646417938.db2.gz QXVRSULCHNLVBC-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO COc1nnc(C[N@@H+](C)CCC2CC2)s1 ZINC000930064463 646417941 /nfs/dbraw/zinc/41/79/41/646417941.db2.gz QXVRSULCHNLVBC-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO Cc1cccc([C@@H](O)C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000930122178 646444745 /nfs/dbraw/zinc/44/47/45/646444745.db2.gz VGZZPEIGTBRFQG-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1cccc([C@@H](O)C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000930122178 646444748 /nfs/dbraw/zinc/44/47/48/646444748.db2.gz VGZZPEIGTBRFQG-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000930162599 646468156 /nfs/dbraw/zinc/46/81/56/646468156.db2.gz PJRYPXZHBHAUMP-RKDXNWHRSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nsc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000930162599 646468159 /nfs/dbraw/zinc/46/81/59/646468159.db2.gz PJRYPXZHBHAUMP-RKDXNWHRSA-N 1 2 241.360 1.474 20 0 BDADLO C[C@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)C[C@H]1O ZINC000930164106 646470140 /nfs/dbraw/zinc/47/01/40/646470140.db2.gz WMDCGMYQSHLBCI-GXSJLCMTSA-N 1 2 238.331 1.785 20 0 BDADLO C[C@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)C[C@H]1O ZINC000930164106 646470144 /nfs/dbraw/zinc/47/01/44/646470144.db2.gz WMDCGMYQSHLBCI-GXSJLCMTSA-N 1 2 238.331 1.785 20 0 BDADLO C[C@H]([NH2+][C@H]1CNOC1)c1nc2ccccc2n1C ZINC000925871000 646522975 /nfs/dbraw/zinc/52/29/75/646522975.db2.gz JXDBBYZXSSYOOP-UWVGGRQHSA-N 1 2 246.314 1.127 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N=S1(=O)CCCC1 ZINC000925909843 646538541 /nfs/dbraw/zinc/53/85/41/646538541.db2.gz NJKGNGNDWPTATM-UHFFFAOYSA-N 1 2 241.316 1.131 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N=S1(=O)CCCC1 ZINC000925909843 646538545 /nfs/dbraw/zinc/53/85/45/646538545.db2.gz NJKGNGNDWPTATM-UHFFFAOYSA-N 1 2 241.316 1.131 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000926285265 646610986 /nfs/dbraw/zinc/61/09/86/646610986.db2.gz OIRUGZXNMRZPNN-RXMQYKEDSA-N 1 2 217.219 1.826 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)s1 ZINC000934576012 711595373 /nfs/dbraw/zinc/59/53/73/711595373.db2.gz PVJYZPOQVOGOGA-UWVGGRQHSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)s1 ZINC000934576012 711595375 /nfs/dbraw/zinc/59/53/75/711595375.db2.gz PVJYZPOQVOGOGA-UWVGGRQHSA-N 1 2 244.335 1.665 20 0 BDADLO [NH3+][C@@H](CC(=O)NC1CCCC1)C(F)F ZINC000724721329 711609702 /nfs/dbraw/zinc/60/97/02/711609702.db2.gz LSRCZNIOKHWLQV-ZETCQYMHSA-N 1 2 206.236 1.028 20 0 BDADLO CCC(CC)CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724728673 711609709 /nfs/dbraw/zinc/60/97/09/711609709.db2.gz YLTQZZAWYBHMJY-QMMMGPOBSA-N 1 2 222.279 1.521 20 0 BDADLO Cc1nc(NC(=O)C[C@@H]([NH3+])C(F)F)sc1C ZINC000724737895 711609722 /nfs/dbraw/zinc/60/97/22/711609722.db2.gz DENRKYRVLCQMLI-ZCFIWIBFSA-N 1 2 249.286 1.681 20 0 BDADLO CC(C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724726631 711609776 /nfs/dbraw/zinc/60/97/76/711609776.db2.gz FFPMCAIPDBNSSR-SSDOTTSWSA-N 1 2 208.252 1.131 20 0 BDADLO C[C@H](C(=O)NCc1ccc(N)[nH+]c1)C(C)(C)C ZINC000399155861 711744610 /nfs/dbraw/zinc/74/46/10/711744610.db2.gz JABVXTKQLJBXDG-SECBINFHSA-N 1 2 235.331 1.793 20 0 BDADLO CC(C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722387968 711753127 /nfs/dbraw/zinc/75/31/27/711753127.db2.gz RKSWGDIEGOTISD-UHFFFAOYSA-N 1 2 241.360 1.477 20 0 BDADLO FC(F)(F)[C@@H]1CC[C@H](Cn2cc[nH+]c2)O1 ZINC000721400264 711753367 /nfs/dbraw/zinc/75/33/67/711753367.db2.gz XCNGTZZNGDDLRI-SFYZADRCSA-N 1 2 220.194 1.993 20 0 BDADLO C=C(Cl)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000056520474 711825817 /nfs/dbraw/zinc/82/58/17/711825817.db2.gz OXDJTFOMQYTOIV-UHFFFAOYSA-N 1 2 238.718 1.970 20 0 BDADLO C=C(Cl)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000056520474 711825818 /nfs/dbraw/zinc/82/58/18/711825818.db2.gz OXDJTFOMQYTOIV-UHFFFAOYSA-N 1 2 238.718 1.970 20 0 BDADLO CCCC[NH+]1CC(NC(=O)c2cc(C)no2)C1 ZINC001030099516 711826183 /nfs/dbraw/zinc/82/61/83/711826183.db2.gz ZNLSMILXWHJWSI-UHFFFAOYSA-N 1 2 237.303 1.197 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706181917 712142114 /nfs/dbraw/zinc/14/21/14/712142114.db2.gz CICOHDXRFZTVFF-WPRPVWTQSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706181917 712142115 /nfs/dbraw/zinc/14/21/15/712142115.db2.gz CICOHDXRFZTVFF-WPRPVWTQSA-N 1 2 243.738 1.276 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC(C)(C)CO1 ZINC000708467646 712195519 /nfs/dbraw/zinc/19/55/19/712195519.db2.gz LYZYAIUSKWSPHA-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CC(C)(C)CO1 ZINC000708467646 712195520 /nfs/dbraw/zinc/19/55/20/712195520.db2.gz LYZYAIUSKWSPHA-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)ccc2F)C1 ZINC000379110755 712369183 /nfs/dbraw/zinc/36/91/83/712369183.db2.gz UOKGKORDFWWOTC-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC2(CCC2)O1 ZINC000712443203 712430111 /nfs/dbraw/zinc/43/01/11/712430111.db2.gz MQOIDFRFDLTKEH-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCC2(CCC2)O1 ZINC000712443203 712430112 /nfs/dbraw/zinc/43/01/12/712430112.db2.gz MQOIDFRFDLTKEH-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714382199 712484069 /nfs/dbraw/zinc/48/40/69/712484069.db2.gz IPIUVLAWUNIQNL-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714382199 712484070 /nfs/dbraw/zinc/48/40/70/712484070.db2.gz IPIUVLAWUNIQNL-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCC(F)(F)C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716090133 712550184 /nfs/dbraw/zinc/55/01/84/712550184.db2.gz ATILVVVULLICFN-UHFFFAOYSA-N 1 2 241.303 1.197 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000719636089 712815012 /nfs/dbraw/zinc/81/50/12/712815012.db2.gz GFTBLUXGDYRQSM-MNOVXSKESA-N 1 2 237.351 1.041 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037993945 712897301 /nfs/dbraw/zinc/89/73/01/712897301.db2.gz LPHPIWZJWKSHIF-GFCCVEGCSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037993945 712897302 /nfs/dbraw/zinc/89/73/02/712897302.db2.gz LPHPIWZJWKSHIF-GFCCVEGCSA-N 1 2 249.314 1.084 20 0 BDADLO CS[C@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000381678616 710670529 /nfs/dbraw/zinc/67/05/29/710670529.db2.gz XRJUDAQUGVYWDY-MRVPVSSYSA-N 1 2 240.328 1.679 20 0 BDADLO Cc1ncc(NCc2c[nH+]cn2C)cn1 ZINC000384159550 710672137 /nfs/dbraw/zinc/67/21/37/710672137.db2.gz JKZKAMGKOLYPFC-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000380387635 712900400 /nfs/dbraw/zinc/90/04/00/712900400.db2.gz ZUKARJVGOOVYJX-ADRPCIBZSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000380387635 712900401 /nfs/dbraw/zinc/90/04/01/712900401.db2.gz ZUKARJVGOOVYJX-ADRPCIBZSA-N 1 2 227.304 1.215 20 0 BDADLO CC(C)(C)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000724408406 710737802 /nfs/dbraw/zinc/73/78/02/710737802.db2.gz QMHCQCSUVBQEKU-VIFPVBQESA-N 1 2 224.304 1.539 20 0 BDADLO CC(C)(C)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000724408406 710737806 /nfs/dbraw/zinc/73/78/06/710737806.db2.gz QMHCQCSUVBQEKU-VIFPVBQESA-N 1 2 224.304 1.539 20 0 BDADLO CC(=O)N(C)C1C[NH+](CCOc2ccccc2)C1 ZINC001042390308 710777480 /nfs/dbraw/zinc/77/74/80/710777480.db2.gz VXLXBIOKWGJQFJ-UHFFFAOYSA-N 1 2 248.326 1.228 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2sccc2F)C1 ZINC001042690133 710796697 /nfs/dbraw/zinc/79/66/97/710796697.db2.gz YMLFJHWDWTXSHC-UHFFFAOYSA-N 1 2 242.319 1.663 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccsc2C)C1 ZINC001042699322 710798261 /nfs/dbraw/zinc/79/82/61/710798261.db2.gz ZUDYPIXANJUYPN-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO CNc1cc(NCc2ncccc2C)nc[nH+]1 ZINC000133403281 710970118 /nfs/dbraw/zinc/97/01/18/710970118.db2.gz PHWZNVPBAXABTH-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CNc1cc(NCc2ncccc2C)[nH+]cn1 ZINC000133403281 710970121 /nfs/dbraw/zinc/97/01/21/710970121.db2.gz PHWZNVPBAXABTH-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO COC1(C)C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000382607961 710973832 /nfs/dbraw/zinc/97/38/32/710973832.db2.gz ZLKCMUPJMUHPAO-CYBMUJFWSA-N 1 2 246.310 1.312 20 0 BDADLO CCC(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001068438768 711016759 /nfs/dbraw/zinc/01/67/59/711016759.db2.gz KSUIWRGPDXRTSB-XYPYZODXSA-N 1 2 248.330 1.502 20 0 BDADLO CC(C)CNC(=S)NCc1c[nH+]cn1C ZINC000388548190 711062765 /nfs/dbraw/zinc/06/27/65/711062765.db2.gz KGKDHBATWRZUDF-UHFFFAOYSA-N 1 2 226.349 1.040 20 0 BDADLO CNc1cc(N[C@H](C)[C@H]2CCCOC2)[nH+]cn1 ZINC000388952202 711069995 /nfs/dbraw/zinc/06/99/95/711069995.db2.gz AFPMFPQHFMNFBO-ZJUUUORDSA-N 1 2 236.319 1.745 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnn(C)n2)cc1F ZINC000389806889 711089064 /nfs/dbraw/zinc/08/90/64/711089064.db2.gz CGLMYLHDOOEUNM-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)C(OC)OC)s1 ZINC000391875705 711142252 /nfs/dbraw/zinc/14/22/52/711142252.db2.gz OXRUIIGDSUAHFH-ZETCQYMHSA-N 1 2 245.348 1.198 20 0 BDADLO C[N@@H+]1CC[C@@H](N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000393809676 711176078 /nfs/dbraw/zinc/17/60/78/711176078.db2.gz ZLJRKOXVJQQOHU-GHMZBOCLSA-N 1 2 220.320 1.081 20 0 BDADLO C[N@H+]1CC[C@@H](N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000393809676 711176083 /nfs/dbraw/zinc/17/60/83/711176083.db2.gz ZLJRKOXVJQQOHU-GHMZBOCLSA-N 1 2 220.320 1.081 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2sccc2C)no1 ZINC000395545295 711213397 /nfs/dbraw/zinc/21/33/97/711213397.db2.gz VPUYYVJKWCLOAX-ZETCQYMHSA-N 1 2 239.300 1.753 20 0 BDADLO CC[C@H](O)CCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000398595789 711413826 /nfs/dbraw/zinc/41/38/26/711413826.db2.gz UJPBOZICHPWVBY-MNOVXSKESA-N 1 2 245.363 1.857 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cnc(Cl)cn1 ZINC000399270812 711426060 /nfs/dbraw/zinc/42/60/60/711426060.db2.gz WQWAJAYNLACAEV-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cnc(Cl)cn1 ZINC000399270812 711426063 /nfs/dbraw/zinc/42/60/63/711426063.db2.gz WQWAJAYNLACAEV-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO CC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC001067921267 710614666 /nfs/dbraw/zinc/61/46/66/710614666.db2.gz VUSMICUYVONYTR-SKDRFNHKSA-N 1 2 248.330 1.136 20 0 BDADLO COCC[C@@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000381321638 710621314 /nfs/dbraw/zinc/62/13/14/710621314.db2.gz OYOBPMROEBWGJB-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO CCCCOC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000393785023 710691486 /nfs/dbraw/zinc/69/14/86/710691486.db2.gz WWERNXPQAKJMBC-GFCCVEGCSA-N 1 2 231.336 1.326 20 0 BDADLO CC(C)[NH+]1CC(N(C)C(=O)C(C)(F)F)C1 ZINC001042403393 710780945 /nfs/dbraw/zinc/78/09/45/710780945.db2.gz HGCVVGDQPQQMFL-UHFFFAOYSA-N 1 2 220.263 1.193 20 0 BDADLO CCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001056573643 710947611 /nfs/dbraw/zinc/94/76/11/710947611.db2.gz VHFXELSBVHLUFS-LLVKDONJSA-N 1 2 248.330 1.598 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccc(C)nn2)o1 ZINC000396718289 711366446 /nfs/dbraw/zinc/36/64/46/711366446.db2.gz PEUXHIIKNINDSH-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO Cc1cc(C)c(CNc2cc(F)ncn2)c[nH+]1 ZINC000397022428 711375556 /nfs/dbraw/zinc/37/55/56/711375556.db2.gz SEABSZXISBHNNT-UHFFFAOYSA-N 1 2 232.262 1.662 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@H+](Cc2cnsn2)C1 ZINC000399825685 711435079 /nfs/dbraw/zinc/43/50/79/711435079.db2.gz CHRBFPHYQQMAKC-JTQLQIEISA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cnsn2)C1 ZINC000399825685 711435082 /nfs/dbraw/zinc/43/50/82/711435082.db2.gz CHRBFPHYQQMAKC-JTQLQIEISA-N 1 2 241.360 1.521 20 0 BDADLO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cnsn1 ZINC000399825661 711436630 /nfs/dbraw/zinc/43/66/30/711436630.db2.gz CGOIZDSXGQLKJF-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cnsn1 ZINC000399825661 711436632 /nfs/dbraw/zinc/43/66/32/711436632.db2.gz CGOIZDSXGQLKJF-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO c1nsnc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933385317 711529105 /nfs/dbraw/zinc/52/91/05/711529105.db2.gz GFDVZPKZIWYFDL-GZMMTYOYSA-N 1 2 237.328 1.339 20 0 BDADLO CC[NH2+]Cc1noc(C(C)(Cl)Cl)n1 ZINC000308727742 711529863 /nfs/dbraw/zinc/52/98/63/711529863.db2.gz HMZKSGQKFGCNMY-UHFFFAOYSA-N 1 2 224.091 1.829 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)OC(C)(C)C ZINC000724133561 711564755 /nfs/dbraw/zinc/56/47/55/711564755.db2.gz ZWSIWKPHAIJZRO-UWVGGRQHSA-N 1 2 229.320 1.437 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)OC(C)(C)C ZINC000724133561 711564756 /nfs/dbraw/zinc/56/47/56/711564756.db2.gz ZWSIWKPHAIJZRO-UWVGGRQHSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)(C)c1coc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000724412119 711578793 /nfs/dbraw/zinc/57/87/93/711578793.db2.gz CRQHVXMRIHAOGC-JTQLQIEISA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1coc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000724412119 711578794 /nfs/dbraw/zinc/57/87/94/711578794.db2.gz CRQHVXMRIHAOGC-JTQLQIEISA-N 1 2 238.331 1.929 20 0 BDADLO Cc1nc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc[nH+]1 ZINC000724622275 711600613 /nfs/dbraw/zinc/60/06/13/711600613.db2.gz GJZANFOLPCTUSM-MXWKQRLJSA-N 1 2 235.287 1.001 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@H]1C ZINC000724759547 711610467 /nfs/dbraw/zinc/61/04/67/711610467.db2.gz QXPDHQKGRIEDEP-RGOKHQFPSA-N 1 2 248.317 1.910 20 0 BDADLO CNc1cc(N2CC[C@@H]3OCC[C@@H]3C2)nc[nH+]1 ZINC000724796138 711614462 /nfs/dbraw/zinc/61/44/62/711614462.db2.gz ZVUDULKSKVTIBO-ZJUUUORDSA-N 1 2 234.303 1.134 20 0 BDADLO CNc1cc(N2CC[C@@H]3OCC[C@@H]3C2)[nH+]cn1 ZINC000724796138 711614466 /nfs/dbraw/zinc/61/44/66/711614466.db2.gz ZVUDULKSKVTIBO-ZJUUUORDSA-N 1 2 234.303 1.134 20 0 BDADLO COC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000066349962 711672107 /nfs/dbraw/zinc/67/21/07/711672107.db2.gz XEGIFFHPNNTLNH-UHFFFAOYSA-N 1 2 229.711 1.605 20 0 BDADLO Cn1nccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000093061204 711714994 /nfs/dbraw/zinc/71/49/94/711714994.db2.gz NYLLTJSKASXTEF-UHFFFAOYSA-N 1 2 248.355 1.655 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722317177 711735117 /nfs/dbraw/zinc/73/51/17/711735117.db2.gz XKFJWGIREIPRCG-OLZOCXBDSA-N 1 2 235.331 1.765 20 0 BDADLO CCCC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722382303 711752681 /nfs/dbraw/zinc/75/26/81/711752681.db2.gz CYOIFEYIHOUHLE-UHFFFAOYSA-N 1 2 241.360 1.621 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000924949422 711766796 /nfs/dbraw/zinc/76/67/96/711766796.db2.gz LABADNCQDQQQJH-IONNQARKSA-N 1 2 249.318 1.832 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889604112 711774627 /nfs/dbraw/zinc/77/46/27/711774627.db2.gz UHSSGGKQJIYKPV-YUSALJHKSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889604112 711774628 /nfs/dbraw/zinc/77/46/28/711774628.db2.gz UHSSGGKQJIYKPV-YUSALJHKSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC2(CC2)CC1 ZINC000913340984 711821657 /nfs/dbraw/zinc/82/16/57/711821657.db2.gz MNMZRIKSQMVWEK-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)COC)n1 ZINC000087438091 711835605 /nfs/dbraw/zinc/83/56/05/711835605.db2.gz HSNXPXVCKZTNQB-MRVPVSSYSA-N 1 2 213.281 1.004 20 0 BDADLO CCOCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929220151 711916565 /nfs/dbraw/zinc/91/65/65/711916565.db2.gz VPDHVXHGMCCCFM-UHFFFAOYSA-N 1 2 247.298 1.719 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000450724434 711946002 /nfs/dbraw/zinc/94/60/02/711946002.db2.gz NQGFDFUSIKVSPK-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CCCCO2)c[nH+]1 ZINC000922549907 711973222 /nfs/dbraw/zinc/97/32/22/711973222.db2.gz ZEJWTFQLVUFTRG-SNVBAGLBSA-N 1 2 236.271 1.276 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000701692163 712028087 /nfs/dbraw/zinc/02/80/87/712028087.db2.gz BYUBZPKDYAAKNS-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000701692163 712028089 /nfs/dbraw/zinc/02/80/89/712028089.db2.gz BYUBZPKDYAAKNS-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO FCCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000702655335 712058787 /nfs/dbraw/zinc/05/87/87/712058787.db2.gz WHZOWSLLYIVNKB-SNVBAGLBSA-N 1 2 227.283 1.363 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@H](OC)C2)nc[nH+]1 ZINC000706578372 712149776 /nfs/dbraw/zinc/14/97/76/712149776.db2.gz XELIJCQPISEGHZ-MGCOHNPYSA-N 1 2 236.319 1.888 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@H](OC)C2)[nH+]cn1 ZINC000706578372 712149778 /nfs/dbraw/zinc/14/97/78/712149778.db2.gz XELIJCQPISEGHZ-MGCOHNPYSA-N 1 2 236.319 1.888 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709057837 712206614 /nfs/dbraw/zinc/20/66/14/712206614.db2.gz ALZLLNJDTBZWLU-QMMMGPOBSA-N 1 2 225.210 1.434 20 0 BDADLO COC(=O)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709057837 712206615 /nfs/dbraw/zinc/20/66/15/712206615.db2.gz ALZLLNJDTBZWLU-QMMMGPOBSA-N 1 2 225.210 1.434 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922917413 712286569 /nfs/dbraw/zinc/28/65/69/712286569.db2.gz GTWHEKRGYVKNBN-KLHWPWHYSA-N 1 2 246.310 1.999 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711456307 712304732 /nfs/dbraw/zinc/30/47/32/712304732.db2.gz MATXFHGZIXSXGF-LBPRGKRZSA-N 1 2 235.331 1.909 20 0 BDADLO Cc1nc(NC[C@H]2C=CCC2)nc(N)[nH+]1 ZINC000711759774 712326757 /nfs/dbraw/zinc/32/67/57/712326757.db2.gz QEZTUUPZUYHWCJ-QMMMGPOBSA-N 1 2 205.265 1.140 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2C=CCC2)[nH+]1 ZINC000711759774 712326759 /nfs/dbraw/zinc/32/67/59/712326759.db2.gz QEZTUUPZUYHWCJ-QMMMGPOBSA-N 1 2 205.265 1.140 20 0 BDADLO CCC(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001063426853 712343300 /nfs/dbraw/zinc/34/33/00/712343300.db2.gz KOLOXYTUOQJUGS-LLVKDONJSA-N 1 2 248.330 1.598 20 0 BDADLO CC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C ZINC001079330086 712346698 /nfs/dbraw/zinc/34/66/98/712346698.db2.gz REIWLXYKASLMAQ-LDYMZIIASA-N 1 2 239.344 1.100 20 0 BDADLO CC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C ZINC001079330086 712346699 /nfs/dbraw/zinc/34/66/99/712346699.db2.gz REIWLXYKASLMAQ-LDYMZIIASA-N 1 2 239.344 1.100 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNCc1nccn1C1CC1 ZINC000712565642 712446670 /nfs/dbraw/zinc/44/66/70/712446670.db2.gz PRMSZCHKOLUFME-LLVKDONJSA-N 1 2 220.320 1.012 20 0 BDADLO C[N@H+]1CC[C@@H]1CNCc1nccn1C1CC1 ZINC000712565642 712446671 /nfs/dbraw/zinc/44/66/71/712446671.db2.gz PRMSZCHKOLUFME-LLVKDONJSA-N 1 2 220.320 1.012 20 0 BDADLO Cc1nc(NCC[C@@H]2C[C@H]2C2CC2)nc(N)[nH+]1 ZINC000712733237 712448622 /nfs/dbraw/zinc/44/86/22/712448622.db2.gz IGQYSUYNLAUMSL-ZJUUUORDSA-N 1 2 233.319 1.610 20 0 BDADLO Cc1nc(N)nc(NCC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000712733237 712448623 /nfs/dbraw/zinc/44/86/23/712448623.db2.gz IGQYSUYNLAUMSL-ZJUUUORDSA-N 1 2 233.319 1.610 20 0 BDADLO c1cn(CCCNc2nccc3nc[nH]c32)c[nH+]1 ZINC000714221960 712479248 /nfs/dbraw/zinc/47/92/48/712479248.db2.gz TXAOZLOOMKZHGE-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccnc(C)c2)nn1 ZINC000714439565 712488860 /nfs/dbraw/zinc/48/88/60/712488860.db2.gz XXYAGBSPLRHAPN-UHFFFAOYSA-N 1 2 245.330 1.681 20 0 BDADLO COC(=O)C1(O)C[NH+](CCC2CCCCC2)C1 ZINC000714451884 712490347 /nfs/dbraw/zinc/49/03/47/712490347.db2.gz UDQDZHKDXVZRHG-UHFFFAOYSA-N 1 2 241.331 1.177 20 0 BDADLO CCOC(=O)c1noc(C[N@H+](C)CCCF)n1 ZINC000714924859 712500225 /nfs/dbraw/zinc/50/02/25/712500225.db2.gz NWGDYWSGLIYXJH-UHFFFAOYSA-N 1 2 245.254 1.038 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+](C)CCCF)n1 ZINC000714924859 712500226 /nfs/dbraw/zinc/50/02/26/712500226.db2.gz NWGDYWSGLIYXJH-UHFFFAOYSA-N 1 2 245.254 1.038 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715410936 712517655 /nfs/dbraw/zinc/51/76/55/712517655.db2.gz BWJGHMMSHVIXSR-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715410936 712517656 /nfs/dbraw/zinc/51/76/56/712517656.db2.gz BWJGHMMSHVIXSR-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715414779 712517676 /nfs/dbraw/zinc/51/76/76/712517676.db2.gz NKNVAYSLFAJKQZ-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715414779 712517677 /nfs/dbraw/zinc/51/76/77/712517677.db2.gz NKNVAYSLFAJKQZ-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535341 712526512 /nfs/dbraw/zinc/52/65/12/712526512.db2.gz DNQVECUZWQTWBL-YIZRAAEISA-N 1 2 233.258 1.525 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535341 712526513 /nfs/dbraw/zinc/52/65/13/712526513.db2.gz DNQVECUZWQTWBL-YIZRAAEISA-N 1 2 233.258 1.525 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cn(C)nn1 ZINC000715849362 712535975 /nfs/dbraw/zinc/53/59/75/712535975.db2.gz FBZMOMFYHCLNDG-MFKMUULPSA-N 1 2 246.314 1.199 20 0 BDADLO Cc1cc(C)c(C[NH2+][C@@H](C)c2cn(C)nn2)cn1 ZINC000715850504 712536064 /nfs/dbraw/zinc/53/60/64/712536064.db2.gz JWDZNHJNEQLTAI-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccns1 ZINC000715926176 712542991 /nfs/dbraw/zinc/54/29/91/712542991.db2.gz IRCCCLQTDCRCBP-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO c1cn(C2CC2)c(C[NH2+]CC2OCCCO2)n1 ZINC000716342484 712555255 /nfs/dbraw/zinc/55/52/55/712555255.db2.gz AUYSNFGWJHSRQW-UHFFFAOYSA-N 1 2 237.303 1.071 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N(CC3CC3)C2)cc[nH+]1 ZINC000716795143 712574168 /nfs/dbraw/zinc/57/41/68/712574168.db2.gz SZBDLSISOZIEHQ-LLVKDONJSA-N 1 2 246.314 1.208 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930250857 712615559 /nfs/dbraw/zinc/61/55/59/712615559.db2.gz GTPLQFXIZPWZQT-QJPTWQEYSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930250857 712615560 /nfs/dbraw/zinc/61/55/60/712615560.db2.gz GTPLQFXIZPWZQT-QJPTWQEYSA-N 1 2 237.347 1.726 20 0 BDADLO CNc1cc(NC[C@H]2CC(C)(C)CO2)[nH+]cn1 ZINC000717517846 712660166 /nfs/dbraw/zinc/66/01/66/712660166.db2.gz MVALNSFFNXNGNV-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(F)n1 ZINC000380132040 712691426 /nfs/dbraw/zinc/69/14/26/712691426.db2.gz CWCKPJUQECCLBE-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO Cc1[nH]c(CN2CCC[C@H]2c2nc[nH]n2)c(C)[nH+]1 ZINC000931143202 712713461 /nfs/dbraw/zinc/71/34/61/712713461.db2.gz GVWBXJAUDVIIFK-NSHDSACASA-N 1 2 246.318 1.482 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC000038221528 712828336 /nfs/dbraw/zinc/82/83/36/712828336.db2.gz ZMHRJMPHFXEYDX-NSHDSACASA-N 1 2 224.210 1.895 20 0 BDADLO C[C@H](C(=O)NCc1ccc(N)[nH+]c1)[C@@H]1CCCO1 ZINC000720608526 712858362 /nfs/dbraw/zinc/85/83/62/712858362.db2.gz BUFTWKYNWZGNIP-ONGXEEELSA-N 1 2 249.314 1.095 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)[C@H]2CCCO2)n1 ZINC000720608109 712858719 /nfs/dbraw/zinc/85/87/19/712858719.db2.gz IIIMDOFISYLCGS-RKDXNWHRSA-N 1 2 225.292 1.462 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C(=O)OC ZINC000720844375 712869878 /nfs/dbraw/zinc/86/98/78/712869878.db2.gz ZCXBTMCMGWJIHY-BJDJZHNGSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cncs2)[nH]1 ZINC000380312852 712873901 /nfs/dbraw/zinc/87/39/01/712873901.db2.gz HSRHOFFHTGRCPG-LURJTMIESA-N 1 2 223.305 1.420 20 0 BDADLO COCC[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209211779 957356836 /nfs/dbraw/zinc/35/68/36/957356836.db2.gz XNYTYXAJTVUQQL-LBPRGKRZSA-N 1 2 222.288 1.101 20 0 BDADLO COCC[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209211779 957356846 /nfs/dbraw/zinc/35/68/46/957356846.db2.gz XNYTYXAJTVUQQL-LBPRGKRZSA-N 1 2 222.288 1.101 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000398327154 958215315 /nfs/dbraw/zinc/21/53/15/958215315.db2.gz OQDOBCVRZGETRF-JZYVYDRUSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000398327154 958215339 /nfs/dbraw/zinc/21/53/39/958215339.db2.gz OQDOBCVRZGETRF-JZYVYDRUSA-N 1 2 208.309 1.719 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724774266 959429123 /nfs/dbraw/zinc/42/91/23/959429123.db2.gz FTUPWYUFQDFNAP-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000724774266 959429138 /nfs/dbraw/zinc/42/91/38/959429138.db2.gz FTUPWYUFQDFNAP-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC000724774266 959429147 /nfs/dbraw/zinc/42/91/47/959429147.db2.gz FTUPWYUFQDFNAP-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)n[nH]1 ZINC001203070220 960622463 /nfs/dbraw/zinc/62/24/63/960622463.db2.gz LJJSJBROLGRDRJ-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@]3(CCCO3)C2)n[nH]1 ZINC001203070220 960622468 /nfs/dbraw/zinc/62/24/68/960622468.db2.gz LJJSJBROLGRDRJ-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1cc(C[N@@H+](C)C2CC(F)(F)C2)[nH]n1 ZINC001203070578 960624702 /nfs/dbraw/zinc/62/47/02/960624702.db2.gz ZNAHFAFAFANXPX-UHFFFAOYSA-N 1 2 215.247 1.948 20 0 BDADLO Cc1cc(C[N@H+](C)C2CC(F)(F)C2)[nH]n1 ZINC001203070578 960624708 /nfs/dbraw/zinc/62/47/08/960624708.db2.gz ZNAHFAFAFANXPX-UHFFFAOYSA-N 1 2 215.247 1.948 20 0 BDADLO CCn1cc(C[N@@H+](C)CC2=NOCC2)cn1 ZINC001307476783 963404042 /nfs/dbraw/zinc/40/40/42/963404042.db2.gz AIBLYQYKJHLKMT-UHFFFAOYSA-N 1 2 222.292 1.111 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2C[C@@H](CO)C2)c1 ZINC001157457795 963617774 /nfs/dbraw/zinc/61/77/74/963617774.db2.gz IVFMYMLOTVKCHY-PHIMTYICSA-N 1 2 222.288 1.411 20 0 BDADLO Cc1c(F)cc[nH+]c1NCC1CC(=O)C1 ZINC001157608423 963676272 /nfs/dbraw/zinc/67/62/72/963676272.db2.gz BUOWVMBABHHUQJ-UHFFFAOYSA-N 1 2 208.236 1.920 20 0 BDADLO Cc1cc[nH+]c(C)c1NCC(=O)NC1CC1 ZINC001161898162 964814532 /nfs/dbraw/zinc/81/45/32/964814532.db2.gz ZDJBFEHUQILZNC-UHFFFAOYSA-N 1 2 219.288 1.389 20 0 BDADLO Cn1c[nH+]c(CCNc2nccnc2F)c1 ZINC000402615357 965560277 /nfs/dbraw/zinc/56/02/77/965560277.db2.gz ZCKAFKHPQYFJCR-UHFFFAOYSA-N 1 2 221.239 1.004 20 0 BDADLO O=S(=O)(CCn1cc[nH+]c1)C1CCCCC1 ZINC000699975394 966277275 /nfs/dbraw/zinc/27/72/75/966277275.db2.gz CNDLDWUIRLWGTE-UHFFFAOYSA-N 1 2 242.344 1.631 20 0 BDADLO CC[N@@H+](Cc1cccc(O)c1)[C@@H](C)C(=O)OC ZINC001203866393 966803487 /nfs/dbraw/zinc/80/34/87/966803487.db2.gz PWJNFZNPGTWTQH-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCn3ccnc3C2)c1 ZINC001204005815 966843941 /nfs/dbraw/zinc/84/39/41/966843941.db2.gz SQGUUKKLKUNGNX-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO c1c[nH]c(C[N@H+]2CCn3ccnc3C2)c1 ZINC001204005815 966843943 /nfs/dbraw/zinc/84/39/43/966843943.db2.gz SQGUUKKLKUNGNX-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001251777718 968322218 /nfs/dbraw/zinc/32/22/18/968322218.db2.gz CMZPKIKKLBSURV-XGEHTFHBSA-N 1 2 239.237 1.161 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001251777718 968322230 /nfs/dbraw/zinc/32/22/30/968322230.db2.gz CMZPKIKKLBSURV-XGEHTFHBSA-N 1 2 239.237 1.161 20 0 BDADLO FC1(F)C[C@@H]2C[N@H+](Cc3ncccn3)C[C@@H]21 ZINC001207012367 968549498 /nfs/dbraw/zinc/54/94/98/968549498.db2.gz ODYQIQSASYZXRE-BDAKNGLRSA-N 1 2 225.242 1.564 20 0 BDADLO FC1(F)C[C@@H]2C[N@@H+](Cc3ncccn3)C[C@@H]21 ZINC001207012367 968549504 /nfs/dbraw/zinc/54/95/04/968549504.db2.gz ODYQIQSASYZXRE-BDAKNGLRSA-N 1 2 225.242 1.564 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1ncc(F)cc1F ZINC001207094719 968625494 /nfs/dbraw/zinc/62/54/94/968625494.db2.gz YXWGGNJXVGDEED-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1ncc(F)cc1F ZINC001207094719 968625497 /nfs/dbraw/zinc/62/54/97/968625497.db2.gz YXWGGNJXVGDEED-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccns1 ZINC001085447589 968717327 /nfs/dbraw/zinc/71/73/27/968717327.db2.gz FSOFASXVIZKZRL-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C1CCC1 ZINC001085451972 968719479 /nfs/dbraw/zinc/71/94/79/968719479.db2.gz FAWQBKPHAGUENM-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C1CCC1 ZINC001085451972 968719486 /nfs/dbraw/zinc/71/94/86/968719486.db2.gz FAWQBKPHAGUENM-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO O=C1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1F ZINC001207630798 968850060 /nfs/dbraw/zinc/85/00/60/968850060.db2.gz YNFRPHUNMINJSJ-IRCOFANPSA-N 1 2 223.291 1.812 20 0 BDADLO c1cc2n(n1)CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC001207962894 968961574 /nfs/dbraw/zinc/96/15/74/968961574.db2.gz ZIJRCILLQLUSPG-GFCCVEGCSA-N 1 2 221.304 1.268 20 0 BDADLO c1cc2n(n1)CC[N@H+](C[C@H]1CCCCO1)C2 ZINC001207962894 968961579 /nfs/dbraw/zinc/96/15/79/968961579.db2.gz ZIJRCILLQLUSPG-GFCCVEGCSA-N 1 2 221.304 1.268 20 0 BDADLO CC(=O)C[N@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253352149 969139277 /nfs/dbraw/zinc/13/92/77/969139277.db2.gz YVKBUHJWIYHXMU-LBPRGKRZSA-N 1 2 243.253 1.519 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253352149 969139284 /nfs/dbraw/zinc/13/92/84/969139284.db2.gz YVKBUHJWIYHXMU-LBPRGKRZSA-N 1 2 243.253 1.519 20 0 BDADLO COC(C)(C)CC[N@@H+]1Cc2cncnc2C1 ZINC001209403321 969472432 /nfs/dbraw/zinc/47/24/32/969472432.db2.gz DUXJCOFNGRAISP-UHFFFAOYSA-N 1 2 221.304 1.607 20 0 BDADLO COC(C)(C)CC[N@H+]1Cc2cncnc2C1 ZINC001209403321 969472438 /nfs/dbraw/zinc/47/24/38/969472438.db2.gz DUXJCOFNGRAISP-UHFFFAOYSA-N 1 2 221.304 1.607 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)no1 ZINC001209564812 969545980 /nfs/dbraw/zinc/54/59/80/969545980.db2.gz WGNJOWFDOHHSEN-NSHDSACASA-N 1 2 208.261 1.430 20 0 BDADLO c1cc(C[N@H+]2CCC[C@]3(CCO3)C2)no1 ZINC001209564812 969545985 /nfs/dbraw/zinc/54/59/85/969545985.db2.gz WGNJOWFDOHHSEN-NSHDSACASA-N 1 2 208.261 1.430 20 0 BDADLO CN(C)c1ccc(NC[C@@H](O)C(F)(F)F)[nH+]c1 ZINC001169459896 969665193 /nfs/dbraw/zinc/66/51/93/969665193.db2.gz XTNNRMUROIKJCZ-MRVPVSSYSA-N 1 2 249.236 1.483 20 0 BDADLO C[C@H](OCC[NH+]1CCOCC1)C1CCCC1 ZINC001210225289 969836714 /nfs/dbraw/zinc/83/67/14/969836714.db2.gz QPHXZMAMFOAGKT-LBPRGKRZSA-N 1 2 227.348 1.914 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCSC2)CCC1 ZINC001255271889 970021563 /nfs/dbraw/zinc/02/15/63/970021563.db2.gz LNJYRDRYTMVEHD-SECBINFHSA-N 1 2 229.345 1.567 20 0 BDADLO CN1CCC[C@@H]([N@@H+]2CCc3occc3C2)C1 ZINC001255492620 970254657 /nfs/dbraw/zinc/25/46/57/970254657.db2.gz ITRHYUVDDSLESP-GFCCVEGCSA-N 1 2 220.316 1.732 20 0 BDADLO CN1CCC[C@@H]([N@H+]2CCc3occc3C2)C1 ZINC001255492620 970254666 /nfs/dbraw/zinc/25/46/66/970254666.db2.gz ITRHYUVDDSLESP-GFCCVEGCSA-N 1 2 220.316 1.732 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCOC(C)(C)C2)CCC1 ZINC001255523864 970281744 /nfs/dbraw/zinc/28/17/44/970281744.db2.gz KUAMMWDSBRQXPB-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH+]1CC2(C1)CS(=O)C2 ZINC001255646274 970426001 /nfs/dbraw/zinc/42/60/01/970426001.db2.gz NARCYTDHXHCOOE-ZETCQYMHSA-N 1 2 241.278 1.392 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@@H](C)CC(F)(F)F)CCO1 ZINC001255659601 970440285 /nfs/dbraw/zinc/44/02/85/970440285.db2.gz AHONRQBQSUTEQG-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H]1C[N@H+]([C@@H](C)CC(F)(F)F)CCO1 ZINC001255659601 970440292 /nfs/dbraw/zinc/44/02/92/970440292.db2.gz AHONRQBQSUTEQG-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+]C2(C(=O)OC)CCC2)CCO1 ZINC001170163843 970517362 /nfs/dbraw/zinc/51/73/62/970517362.db2.gz BJVFJWMESMPWFX-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@H]1C[C@H]([N@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206921 970579351 /nfs/dbraw/zinc/57/93/51/970579351.db2.gz INMDYDBOUGQWBN-MNOVXSKESA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H]1C[C@H]([N@@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206921 970579366 /nfs/dbraw/zinc/57/93/66/970579366.db2.gz INMDYDBOUGQWBN-MNOVXSKESA-N 1 2 239.319 1.767 20 0 BDADLO CCOC(=O)N1CC[C@@H]([NH2+]CC(C)(F)F)C1 ZINC001256012691 970611614 /nfs/dbraw/zinc/61/16/14/970611614.db2.gz MKNIUSIUAIBGPF-MRVPVSSYSA-N 1 2 236.262 1.462 20 0 BDADLO CC[C@@H]1CC[C@H]([NH2+]C2(C(=O)OC)CC2)C1 ZINC001173260408 975108173 /nfs/dbraw/zinc/10/81/73/975108173.db2.gz LHKBDOWCWBWQCV-ZJUUUORDSA-N 1 2 211.305 1.860 20 0 BDADLO CCSC[C@@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001173301465 975201692 /nfs/dbraw/zinc/20/16/92/975201692.db2.gz URCKGUWKZJDBDC-SECBINFHSA-N 1 2 238.347 1.669 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1CCOC1CC1 ZINC001332978511 975353878 /nfs/dbraw/zinc/35/38/78/975353878.db2.gz BMJDWSFMESSVEH-OAHLLOKOSA-N 1 2 231.361 1.008 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1CCOC1CC1 ZINC001332978511 975353884 /nfs/dbraw/zinc/35/38/84/975353884.db2.gz BMJDWSFMESSVEH-OAHLLOKOSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@H](Nc1nccs1)[C@H]1C[N@H+](C)CCO1 ZINC001334171681 976347371 /nfs/dbraw/zinc/34/73/71/976347371.db2.gz MFFGVBPFXYNOQD-DTWKUNHWSA-N 1 2 227.333 1.274 20 0 BDADLO C[C@H](Nc1nccs1)[C@H]1C[N@@H+](C)CCO1 ZINC001334171681 976347390 /nfs/dbraw/zinc/34/73/90/976347390.db2.gz MFFGVBPFXYNOQD-DTWKUNHWSA-N 1 2 227.333 1.274 20 0 BDADLO C=CNc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001174780382 976995686 /nfs/dbraw/zinc/99/56/86/976995686.db2.gz UOXRBARPKGIAAZ-UHFFFAOYSA-N 1 2 219.288 1.598 20 0 BDADLO CCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001230561446 977256887 /nfs/dbraw/zinc/25/68/87/977256887.db2.gz CXFWSYUPRXIENQ-OAQKJQOQSA-N 1 2 230.739 1.682 20 0 BDADLO CCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001230561446 977256892 /nfs/dbraw/zinc/25/68/92/977256892.db2.gz CXFWSYUPRXIENQ-OAQKJQOQSA-N 1 2 230.739 1.682 20 0 BDADLO C[N@H+]1CC[C@H](C(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC001336070899 977479173 /nfs/dbraw/zinc/47/91/73/977479173.db2.gz AZCIVCZVMXYWDR-FVMDXXJSSA-N 1 2 246.376 1.361 20 0 BDADLO CCc1ccc(N(C)CCOCCOC)[nH+]c1 ZINC001336633642 977821091 /nfs/dbraw/zinc/82/10/91/977821091.db2.gz KRNCMQKOUJUAEN-UHFFFAOYSA-N 1 2 238.331 1.743 20 0 BDADLO Cc1scnc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001232202563 977921887 /nfs/dbraw/zinc/92/18/87/977921887.db2.gz CNVGNQRPEXIOLX-SCZZXKLOSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1scnc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001232202563 977921900 /nfs/dbraw/zinc/92/19/00/977921900.db2.gz CNVGNQRPEXIOLX-SCZZXKLOSA-N 1 2 230.308 1.356 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2cnsc2)CCC1(F)F ZINC001232224573 977945393 /nfs/dbraw/zinc/94/53/93/977945393.db2.gz MPFSFXHGJMECBZ-SECBINFHSA-N 1 2 248.298 1.593 20 0 BDADLO COC(C[N@H+](C)Cc1cnsc1)OC ZINC001232230672 977961988 /nfs/dbraw/zinc/96/19/88/977961988.db2.gz RYRSHMQQAIJUAB-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO COC(C[N@@H+](C)Cc1cnsc1)OC ZINC001232230672 977962002 /nfs/dbraw/zinc/96/20/02/977962002.db2.gz RYRSHMQQAIJUAB-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO Cc1[nH]c(CN2CCCC(=O)[C@@H](C)C2)c[nH+]1 ZINC001232458410 978083881 /nfs/dbraw/zinc/08/38/81/978083881.db2.gz IKVYETUXZRGSLJ-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]cc(CN2CCCC(=O)[C@@H](C)C2)[nH+]1 ZINC001232458410 978083891 /nfs/dbraw/zinc/08/38/91/978083891.db2.gz IKVYETUXZRGSLJ-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC[C@@H]2C)[nH]c1C ZINC001176794169 978176907 /nfs/dbraw/zinc/17/69/07/978176907.db2.gz ZDUHGMBSORQYFH-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC[C@@H]2C)[nH]c1C ZINC001176794169 978176917 /nfs/dbraw/zinc/17/69/17/978176917.db2.gz ZDUHGMBSORQYFH-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO COC(=O)c1cc(C[N@H+](C)CCF)ccn1 ZINC001232773994 978264307 /nfs/dbraw/zinc/26/43/07/978264307.db2.gz JIVFIBPXBOUXMY-UHFFFAOYSA-N 1 2 226.251 1.270 20 0 BDADLO COC(=O)c1cc(C[N@@H+](C)CCF)ccn1 ZINC001232773994 978264312 /nfs/dbraw/zinc/26/43/12/978264312.db2.gz JIVFIBPXBOUXMY-UHFFFAOYSA-N 1 2 226.251 1.270 20 0 BDADLO CC[N@H+](Cc1cc(C)ns1)C1CN(C)C1 ZINC001233313170 978539143 /nfs/dbraw/zinc/53/91/43/978539143.db2.gz HJSXYIACDVWIDX-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO CC[N@@H+](Cc1cc(C)ns1)C1CN(C)C1 ZINC001233313170 978539148 /nfs/dbraw/zinc/53/91/48/978539148.db2.gz HJSXYIACDVWIDX-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO CCN(Cc1cc(C)ns1)C1C[NH+](C)C1 ZINC001233313170 978539154 /nfs/dbraw/zinc/53/91/54/978539154.db2.gz HJSXYIACDVWIDX-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO CCN(CC(=O)NC)c1cc(F)cc(C)[nH+]1 ZINC001337882727 978546915 /nfs/dbraw/zinc/54/69/15/978546915.db2.gz CUTNSWWSSXUNDD-UHFFFAOYSA-N 1 2 225.267 1.101 20 0 BDADLO Cc1cc(F)cc(N2CCO[C@H](C(F)F)C2)[nH+]1 ZINC001337975241 978581046 /nfs/dbraw/zinc/58/10/46/978581046.db2.gz WMXDSDCLTHEIMC-VIFPVBQESA-N 1 2 246.232 1.999 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)sc1C ZINC001233654651 978662253 /nfs/dbraw/zinc/66/22/53/978662253.db2.gz DXBZXEVFSCBNFZ-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)sc1C ZINC001233654651 978662260 /nfs/dbraw/zinc/66/22/60/978662260.db2.gz DXBZXEVFSCBNFZ-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C(C)C)nn2)C1 ZINC001233884608 978722093 /nfs/dbraw/zinc/72/20/93/978722093.db2.gz WINGIBJGYVSCSV-UHFFFAOYSA-N 1 2 221.304 1.683 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C/C(F)(F)F)c1 ZINC001179928199 978791659 /nfs/dbraw/zinc/79/16/59/978791659.db2.gz BHKGUZUYCMKWOJ-DUXPYHPUSA-N 1 2 247.220 1.197 20 0 BDADLO Cc1cc(F)cc(N(C)C[C@@H](O)C2CC2)[nH+]1 ZINC001339610052 978878722 /nfs/dbraw/zinc/87/87/22/978878722.db2.gz KYNYWKCLLQGVOS-LLVKDONJSA-N 1 2 224.279 1.736 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)cn1)[C@@H]1CCCOC1 ZINC001235426450 979042968 /nfs/dbraw/zinc/04/29/68/979042968.db2.gz OKXZIRXKZKVRIC-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCCC(=O)[C@H](F)C1 ZINC001235539320 979076872 /nfs/dbraw/zinc/07/68/72/979076872.db2.gz SUAPPTAFCHWXJL-SNVBAGLBSA-N 1 2 239.294 1.232 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cnoc1 ZINC001181994767 979393678 /nfs/dbraw/zinc/39/36/78/979393678.db2.gz SHXZPAUFRBSQPI-SNVBAGLBSA-N 1 2 223.276 1.488 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cnoc1 ZINC001181994767 979393693 /nfs/dbraw/zinc/39/36/93/979393693.db2.gz SHXZPAUFRBSQPI-SNVBAGLBSA-N 1 2 223.276 1.488 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC3(CC3)C2)o1 ZINC001236594453 979673405 /nfs/dbraw/zinc/67/34/05/979673405.db2.gz GNXNDHAMGCJBSC-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC3(CC3)C2)o1 ZINC001236594453 979673406 /nfs/dbraw/zinc/67/34/06/979673406.db2.gz GNXNDHAMGCJBSC-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO C[N@@H+]1CCc2onc(C(=O)NC(C)(C)C)c2C1 ZINC001278090090 979889791 /nfs/dbraw/zinc/88/97/91/979889791.db2.gz WLHJWEAXOXEDRT-UHFFFAOYSA-N 1 2 237.303 1.191 20 0 BDADLO C[N@H+]1CCc2onc(C(=O)NC(C)(C)C)c2C1 ZINC001278090090 979889798 /nfs/dbraw/zinc/88/97/98/979889798.db2.gz WLHJWEAXOXEDRT-UHFFFAOYSA-N 1 2 237.303 1.191 20 0 BDADLO COc1c(C)cccc1C[NH+]1CCOCC1 ZINC001237506544 979925319 /nfs/dbraw/zinc/92/53/19/979925319.db2.gz WTNRMRWRNOOTKH-UHFFFAOYSA-N 1 2 221.300 1.836 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)C[C@@H]1C ZINC001237588307 979949079 /nfs/dbraw/zinc/94/90/79/979949079.db2.gz PVHGJHUHFHWYFU-JTQLQIEISA-N 1 2 221.304 1.456 20 0 BDADLO C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]12 ZINC001607418901 980103414 /nfs/dbraw/zinc/10/34/14/980103414.db2.gz BOSPARSOMUNANO-KKJSVHSVSA-N 1 2 240.347 1.025 20 0 BDADLO CCc1cc(C[N@@H+]2CCC[C@H]2C(C)=O)on1 ZINC001203231883 980291073 /nfs/dbraw/zinc/29/10/73/980291073.db2.gz LWDIFKBPRRMNHG-LBPRGKRZSA-N 1 2 222.288 1.790 20 0 BDADLO CCc1cc(C[N@H+]2CCC[C@H]2C(C)=O)on1 ZINC001203231883 980291088 /nfs/dbraw/zinc/29/10/88/980291088.db2.gz LWDIFKBPRRMNHG-LBPRGKRZSA-N 1 2 222.288 1.790 20 0 BDADLO CCOc1ccc(CC[NH+]2CCOCC2)cn1 ZINC001250275048 980633698 /nfs/dbraw/zinc/63/36/98/980633698.db2.gz DKIBEJDSGBDDTG-UHFFFAOYSA-N 1 2 236.315 1.355 20 0 BDADLO CS[C@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001347104033 980972764 /nfs/dbraw/zinc/97/27/64/980972764.db2.gz JQBFGUWLQUYZTL-BDAKNGLRSA-N 1 2 226.349 1.521 20 0 BDADLO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001347104033 980972769 /nfs/dbraw/zinc/97/27/69/980972769.db2.gz JQBFGUWLQUYZTL-BDAKNGLRSA-N 1 2 226.349 1.521 20 0 BDADLO CCc1cccc(C(=O)NC2C[NH+](C)C2)c1 ZINC001192974148 981221381 /nfs/dbraw/zinc/22/13/81/981221381.db2.gz NEFUMSBQHTVUFT-UHFFFAOYSA-N 1 2 218.300 1.293 20 0 BDADLO CC(C)C(=O)OCCCc1c[nH+]cn1C ZINC001348627197 981411042 /nfs/dbraw/zinc/41/10/42/981411042.db2.gz ZKDWSGPMFOPSKH-UHFFFAOYSA-N 1 2 210.277 1.552 20 0 BDADLO CC(C)COC(=O)N1CCn2c[nH+]cc2C1 ZINC001193823537 981462970 /nfs/dbraw/zinc/46/29/70/981462970.db2.gz CTLYZCQYIJQQFT-UHFFFAOYSA-N 1 2 223.276 1.491 20 0 BDADLO CC(C)COC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001193864200 981486542 /nfs/dbraw/zinc/48/65/42/981486542.db2.gz ODAFASOARLRSAU-LLVKDONJSA-N 1 2 246.326 1.803 20 0 BDADLO CC(C)COC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001193864200 981486548 /nfs/dbraw/zinc/48/65/48/981486548.db2.gz ODAFASOARLRSAU-LLVKDONJSA-N 1 2 246.326 1.803 20 0 BDADLO COC(=O)c1cc(C[NH2+]C(C)(C)CF)on1 ZINC001349621155 981597464 /nfs/dbraw/zinc/59/74/64/981597464.db2.gz PBYOQYLJGSCFDI-UHFFFAOYSA-N 1 2 230.239 1.299 20 0 BDADLO C[C@H](C(=O)NCCc1[nH+]ccn1C)C(C)(F)F ZINC001350511719 981991425 /nfs/dbraw/zinc/99/14/25/981991425.db2.gz QQYWBQLWKXOJQG-MRVPVSSYSA-N 1 2 245.273 1.370 20 0 BDADLO C(C[NH+]1CCCC1)Sc1n[nH]c(C2CC2)n1 ZINC001350847418 982099984 /nfs/dbraw/zinc/09/99/84/982099984.db2.gz NPUBIECDLONLKL-UHFFFAOYSA-N 1 2 238.360 1.870 20 0 BDADLO Cc1cnc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)o1 ZINC001354266593 983239572 /nfs/dbraw/zinc/23/95/72/983239572.db2.gz QTIOLBUNGICYOG-GHMZBOCLSA-N 1 2 238.335 1.029 20 0 BDADLO Cc1cnc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)o1 ZINC001354266593 983239585 /nfs/dbraw/zinc/23/95/85/983239585.db2.gz QTIOLBUNGICYOG-GHMZBOCLSA-N 1 2 238.335 1.029 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)o1 ZINC001354266597 983240830 /nfs/dbraw/zinc/24/08/30/983240830.db2.gz QTIOLBUNGICYOG-QWRGUYRKSA-N 1 2 238.335 1.029 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)o1 ZINC001354266597 983240842 /nfs/dbraw/zinc/24/08/42/983240842.db2.gz QTIOLBUNGICYOG-QWRGUYRKSA-N 1 2 238.335 1.029 20 0 BDADLO CC(C)(O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252356922 983744978 /nfs/dbraw/zinc/74/49/78/983744978.db2.gz SXXSGUMEZUOSRB-BIIVOSGPSA-N 1 2 239.237 1.161 20 0 BDADLO CC(C)(O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252356922 983744988 /nfs/dbraw/zinc/74/49/88/983744988.db2.gz SXXSGUMEZUOSRB-BIIVOSGPSA-N 1 2 239.237 1.161 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@H](C)CCOC(C)C ZINC001172432590 974716977 /nfs/dbraw/zinc/71/69/77/974716977.db2.gz AWLUELRLMCRJRU-SNVBAGLBSA-N 1 2 231.336 1.731 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H](CC)CC(C)C)[C@@H](C)O ZINC001172396738 974752619 /nfs/dbraw/zinc/75/26/19/974752619.db2.gz WXJVEOIIHVVNDR-IJLUTSLNSA-N 1 2 245.363 1.713 20 0 BDADLO CCOC(=O)C[C@@H](C)OCc1c[nH+]cn1C ZINC001222594568 972591873 /nfs/dbraw/zinc/59/18/73/972591873.db2.gz GRSGZWFSELEWSZ-SECBINFHSA-N 1 2 226.276 1.278 20 0 BDADLO CON(C(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001328582872 973158606 /nfs/dbraw/zinc/15/86/06/973158606.db2.gz FXSHJRHAZLFDQX-JTQLQIEISA-N 1 2 225.292 1.633 20 0 BDADLO CN(C)c1cc(N[C@@H](CO)C(C)(C)C)[nH+]cn1 ZINC001157750781 970784226 /nfs/dbraw/zinc/78/42/26/970784226.db2.gz WLRXRFQFTPQIFO-VIFPVBQESA-N 1 2 238.335 1.362 20 0 BDADLO CN(C)c1cc(N[C@@H](CO)C(C)(C)C)nc[nH+]1 ZINC001157750781 970784235 /nfs/dbraw/zinc/78/42/35/970784235.db2.gz WLRXRFQFTPQIFO-VIFPVBQESA-N 1 2 238.335 1.362 20 0 BDADLO C[C@H](c1nnc([C@H]2C[C@H]2C)o1)n1cc[nH+]c1 ZINC001256660348 970904296 /nfs/dbraw/zinc/90/42/96/970904296.db2.gz VKKYVTKFWRBTDU-HLTSFMKQSA-N 1 2 218.260 1.999 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001256661174 970908772 /nfs/dbraw/zinc/90/87/72/970908772.db2.gz ZGVIHMVXJXKZLO-HTRCEHHLSA-N 1 2 204.233 1.507 20 0 BDADLO C[C@@H](Cc1ccncc1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001256742613 970973880 /nfs/dbraw/zinc/97/38/80/970973880.db2.gz OPJVNUZTVSBVJW-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@@H](Cc1ccncc1)[N@H+]1Cc2cnn(C)c2C1 ZINC001256742613 970973888 /nfs/dbraw/zinc/97/38/88/970973888.db2.gz OPJVNUZTVSBVJW-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO Cc1cc(NC(=O)Cc2ccc(F)cn2)cc[nH+]1 ZINC000806347058 971016049 /nfs/dbraw/zinc/01/60/49/971016049.db2.gz DMSPQVDPGJCTQG-UHFFFAOYSA-N 1 2 245.257 1.527 20 0 BDADLO Nc1ccc(NCc2nccc(Cl)n2)c[nH+]1 ZINC001170545859 971146165 /nfs/dbraw/zinc/14/61/65/971146165.db2.gz IQLYNPHNJSLRQU-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001257250460 971147943 /nfs/dbraw/zinc/14/79/43/971147943.db2.gz FGKLNYZZQWVABC-MNOVXSKESA-N 1 2 245.363 1.857 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCn3ccnc32)sn1 ZINC000404392527 971156562 /nfs/dbraw/zinc/15/65/62/971156562.db2.gz YTXHTJGPIXPLCB-JTQLQIEISA-N 1 2 234.328 1.883 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccns2)n1 ZINC000404411742 971156904 /nfs/dbraw/zinc/15/69/04/971156904.db2.gz JJUBIEYFGUSINM-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO CCC[C@@H](CC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001257264380 971163117 /nfs/dbraw/zinc/16/31/17/971163117.db2.gz LKVOPCTXMVKZMK-SECBINFHSA-N 1 2 219.350 1.294 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)sn1 ZINC000404441202 971163542 /nfs/dbraw/zinc/16/35/42/971163542.db2.gz HKZKNAYEOLOSSE-ZETCQYMHSA-N 1 2 237.332 1.729 20 0 BDADLO Nc1cc(C[N@@H+]2CCC=C(Cl)C2)ccn1 ZINC000404562138 971169697 /nfs/dbraw/zinc/16/96/97/971169697.db2.gz YFVSQCBKCSLERD-UHFFFAOYSA-N 1 2 223.707 1.823 20 0 BDADLO Nc1cc(C[N@H+]2CCC=C(Cl)C2)ccn1 ZINC000404562138 971169701 /nfs/dbraw/zinc/16/97/01/971169701.db2.gz YFVSQCBKCSLERD-UHFFFAOYSA-N 1 2 223.707 1.823 20 0 BDADLO CNc1cc(N2CCC(C(F)F)CC2)nc[nH+]1 ZINC000307887664 971181411 /nfs/dbraw/zinc/18/14/11/971181411.db2.gz XFSUQFIJTWKKLA-UHFFFAOYSA-N 1 2 242.273 2.000 20 0 BDADLO CNc1cc(N2CCC(C(F)F)CC2)[nH+]cn1 ZINC000307887664 971181414 /nfs/dbraw/zinc/18/14/14/971181414.db2.gz XFSUQFIJTWKKLA-UHFFFAOYSA-N 1 2 242.273 2.000 20 0 BDADLO CCC[C@@H](C)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001257306525 971196581 /nfs/dbraw/zinc/19/65/81/971196581.db2.gz UXKZUQPCFUUXDL-MRVPVSSYSA-N 1 2 240.307 1.050 20 0 BDADLO OCCc1ccc2c(c1)O[C@@H]([NH2+]C1CCCC1)O2 ZINC001257349112 971263364 /nfs/dbraw/zinc/26/33/64/971263364.db2.gz NTMXOGOXEMNVDG-AWEZNQCLSA-N 1 2 249.310 1.808 20 0 BDADLO CSCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCF)C1 ZINC001131808063 971273388 /nfs/dbraw/zinc/27/33/88/971273388.db2.gz HWZMIYKKUIZMHD-ZJUUUORDSA-N 1 2 248.367 1.288 20 0 BDADLO CSCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCF)C1 ZINC001131808063 971273398 /nfs/dbraw/zinc/27/33/98/971273398.db2.gz HWZMIYKKUIZMHD-ZJUUUORDSA-N 1 2 248.367 1.288 20 0 BDADLO C[C@@]1([NH3+])CC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000405786640 971306270 /nfs/dbraw/zinc/30/62/70/971306270.db2.gz REFMIEDNPORNHB-CYBMUJFWSA-N 1 2 234.299 1.308 20 0 BDADLO C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000405786640 971306276 /nfs/dbraw/zinc/30/62/76/971306276.db2.gz REFMIEDNPORNHB-CYBMUJFWSA-N 1 2 234.299 1.308 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc([C@H]([NH3+])c2ccc(O)cc2)o1 ZINC001217737313 971378819 /nfs/dbraw/zinc/37/88/19/971378819.db2.gz WDJMTSPTRVOQTP-AVPPRXQKSA-N 1 2 245.282 1.947 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1nccc2ccoc21 ZINC001158700430 971404214 /nfs/dbraw/zinc/40/42/14/971404214.db2.gz GORQUIUGBLFYJK-LLVKDONJSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1nccc2ccoc21 ZINC001158700430 971404225 /nfs/dbraw/zinc/40/42/25/971404225.db2.gz GORQUIUGBLFYJK-LLVKDONJSA-N 1 2 247.298 1.570 20 0 BDADLO C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C(=O)[O-] ZINC000090274349 949117974 /nfs/dbraw/zinc/11/79/74/949117974.db2.gz NQPIDDDNYVPPGN-VHSXEESVSA-N 1 2 239.319 1.361 20 0 BDADLO FC1(F)C[NH2+]C[C@H]1Oc1ccc(C2CC2)cn1 ZINC001218237362 971645733 /nfs/dbraw/zinc/64/57/33/971645733.db2.gz UWTCGBKEJHZQGL-SNVBAGLBSA-N 1 2 240.253 1.945 20 0 BDADLO Cc1cc(=O)c(C)c(O[C@H]2C[NH2+]CC2(F)F)[nH]1 ZINC001218237417 971646708 /nfs/dbraw/zinc/64/67/08/971646708.db2.gz OSPDPXZTKOSPHD-VIFPVBQESA-N 1 2 244.241 1.390 20 0 BDADLO Cc1[nH]c2ccc(O[C@H]3C[C@H](O)C3)cc2[nH+]1 ZINC001218359822 971734440 /nfs/dbraw/zinc/73/44/40/971734440.db2.gz HGGASJPSKTYDPW-CZMCAQCFSA-N 1 2 218.256 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218826 974444326 /nfs/dbraw/zinc/44/43/26/974444326.db2.gz FIUZXLYKNCKCKA-OFLUOSHYSA-N 1 2 227.304 1.238 20 0 BDADLO CC[NH+]1CC(Oc2cc(O)cc(O)c2)C1 ZINC001225370777 974451192 /nfs/dbraw/zinc/45/11/92/974451192.db2.gz IXEIOIXSYWUONB-UHFFFAOYSA-N 1 2 209.245 1.181 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2ccco2)o1 ZINC001327307058 972540256 /nfs/dbraw/zinc/54/02/56/972540256.db2.gz WYIRHSKZOCWTDB-UHFFFAOYSA-N 1 2 207.233 1.315 20 0 BDADLO Cc1cccc2[nH]c(NC(=O)C3(F)C[NH2+]C3)nc21 ZINC001218502058 971842394 /nfs/dbraw/zinc/84/23/94/971842394.db2.gz PASHUDPEPMKSSD-UHFFFAOYSA-N 1 2 248.261 1.121 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC=C(Cl)Cl ZINC000407274002 971846165 /nfs/dbraw/zinc/84/61/65/971846165.db2.gz WXYBCBSIZABCQW-UHFFFAOYSA-N 1 2 234.086 1.318 20 0 BDADLO Cc1cc(-c2cccn3ncnc23)c[nH+]c1N ZINC001245536783 971848349 /nfs/dbraw/zinc/84/83/49/971848349.db2.gz MMIVJBGJOCRZTQ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO O[C@@H]1CC[N@@H+]([C@H]2CCCOCC2)CC1(F)F ZINC001170830498 971946002 /nfs/dbraw/zinc/94/60/02/971946002.db2.gz DZOYLRMPCXYGRV-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CC[N@H+]([C@H]2CCCOCC2)CC1(F)F ZINC001170830498 971946004 /nfs/dbraw/zinc/94/60/04/971946004.db2.gz DZOYLRMPCXYGRV-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO O=C(Nc1cccc2cc[nH]c21)[C@@H]1COCC[NH2+]1 ZINC001219109811 971982989 /nfs/dbraw/zinc/98/29/89/971982989.db2.gz CHLOBDOBEXVCNI-NSHDSACASA-N 1 2 245.282 1.095 20 0 BDADLO Cc1cccc(N)c1NC(=O)CCn1cc[nH+]c1 ZINC000311062008 971991143 /nfs/dbraw/zinc/99/11/43/971991143.db2.gz SOWSGJFOZNEIOK-UHFFFAOYSA-N 1 2 244.298 1.803 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NCc1nc(C)cs1 ZINC001136133604 972050763 /nfs/dbraw/zinc/05/07/63/972050763.db2.gz KPVUWSCKTKVKOV-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NCc1nc(C)cs1 ZINC001136133604 972050772 /nfs/dbraw/zinc/05/07/72/972050772.db2.gz KPVUWSCKTKVKOV-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO C=Cc1ccc(CNC(=O)C2(F)C[NH2+]C2)cc1 ZINC001220219029 972188634 /nfs/dbraw/zinc/18/86/34/972188634.db2.gz NKZHXGNYZPMMKD-UHFFFAOYSA-N 1 2 234.274 1.257 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001136638315 972218816 /nfs/dbraw/zinc/21/88/16/972218816.db2.gz VWYRJLOLWRWVFK-VXGBXAGGSA-N 1 2 245.326 1.847 20 0 BDADLO O=C1C[N@@H+](CCCn2cccn2)CCC[C@@H]1F ZINC001208082504 956931089 /nfs/dbraw/zinc/93/10/89/956931089.db2.gz PGRQRBJQPJSNJM-NSHDSACASA-N 1 2 239.294 1.276 20 0 BDADLO O=C1C[N@H+](CCCn2cccn2)CCC[C@@H]1F ZINC001208082504 956931121 /nfs/dbraw/zinc/93/11/21/956931121.db2.gz PGRQRBJQPJSNJM-NSHDSACASA-N 1 2 239.294 1.276 20 0 BDADLO CS[C@@H](C)CC[N@@H+]1Cc2cncnc2C1 ZINC001208139351 957010734 /nfs/dbraw/zinc/01/07/34/957010734.db2.gz QZDGYHDLJRASCS-VIFPVBQESA-N 1 2 223.345 1.934 20 0 BDADLO CS[C@@H](C)CC[N@H+]1Cc2cncnc2C1 ZINC001208139351 957010745 /nfs/dbraw/zinc/01/07/45/957010745.db2.gz QZDGYHDLJRASCS-VIFPVBQESA-N 1 2 223.345 1.934 20 0 BDADLO COCOCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001209024373 957275094 /nfs/dbraw/zinc/27/50/94/957275094.db2.gz WEIRMLVJVBFBNO-JTQLQIEISA-N 1 2 237.290 1.974 20 0 BDADLO COCOCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001209024373 957275105 /nfs/dbraw/zinc/27/51/05/957275105.db2.gz WEIRMLVJVBFBNO-JTQLQIEISA-N 1 2 237.290 1.974 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnnc1 ZINC001139984803 957295519 /nfs/dbraw/zinc/29/55/19/957295519.db2.gz AQQPJDKIJFCALO-LBPRGKRZSA-N 1 2 219.288 1.420 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnnc1 ZINC001139984803 957295528 /nfs/dbraw/zinc/29/55/28/957295528.db2.gz AQQPJDKIJFCALO-LBPRGKRZSA-N 1 2 219.288 1.420 20 0 BDADLO CCOC(C)(C)C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001209066252 957308391 /nfs/dbraw/zinc/30/83/91/957308391.db2.gz ASOZMWAPXQZPJD-RKDXNWHRSA-N 1 2 207.264 1.793 20 0 BDADLO CNc1cc(NC[C@H](O)C2CCC2)[nH+]cn1 ZINC000316048857 972259592 /nfs/dbraw/zinc/25/95/92/972259592.db2.gz WZRBTKHSWOOQJL-VIFPVBQESA-N 1 2 222.292 1.091 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC000705577770 957344416 /nfs/dbraw/zinc/34/44/16/957344416.db2.gz VHSVTRXQOLVLLZ-JTQLQIEISA-N 1 2 218.300 1.943 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC000705577770 957344421 /nfs/dbraw/zinc/34/44/21/957344421.db2.gz VHSVTRXQOLVLLZ-JTQLQIEISA-N 1 2 218.300 1.943 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001209211778 957358627 /nfs/dbraw/zinc/35/86/27/957358627.db2.gz XNYTYXAJTVUQQL-GFCCVEGCSA-N 1 2 222.288 1.101 20 0 BDADLO COCC[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001209211778 957358636 /nfs/dbraw/zinc/35/86/36/957358636.db2.gz XNYTYXAJTVUQQL-GFCCVEGCSA-N 1 2 222.288 1.101 20 0 BDADLO CCOCC[C@@H](C)[NH2+]C1(C(=O)OC)CCC1 ZINC001172406328 974663278 /nfs/dbraw/zinc/66/32/78/974663278.db2.gz JUOJKLMXIRJSFE-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccccn2)C[C@@H]1F ZINC001204056183 972263204 /nfs/dbraw/zinc/26/32/04/972263204.db2.gz VNSLULKSHKEPMI-NWDGAFQWSA-N 1 2 224.279 1.376 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccccn2)C[C@@H]1F ZINC001204056183 972263209 /nfs/dbraw/zinc/26/32/09/972263209.db2.gz VNSLULKSHKEPMI-NWDGAFQWSA-N 1 2 224.279 1.376 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001209410558 957419070 /nfs/dbraw/zinc/41/90/70/957419070.db2.gz KNWZBKQQPIVDII-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001209410558 957419076 /nfs/dbraw/zinc/41/90/76/957419076.db2.gz KNWZBKQQPIVDII-UTLUCORTSA-N 1 2 219.275 1.734 20 0 BDADLO c1ncc(C[NH+]2CC3(CSC3)C2)s1 ZINC001209550570 957499766 /nfs/dbraw/zinc/49/97/66/957499766.db2.gz IFMRKQWZGGJMPK-UHFFFAOYSA-N 1 2 212.343 1.692 20 0 BDADLO CCCc1cc(NC(=O)[C@@H]2CC[N@@H+]2CC)n[nH]1 ZINC001136840291 972272312 /nfs/dbraw/zinc/27/23/12/972272312.db2.gz KELYHMVJPUJKDB-JTQLQIEISA-N 1 2 236.319 1.395 20 0 BDADLO CCCc1cc(NC(=O)[C@@H]2CC[N@H+]2CC)n[nH]1 ZINC001136840291 972272319 /nfs/dbraw/zinc/27/23/19/972272319.db2.gz KELYHMVJPUJKDB-JTQLQIEISA-N 1 2 236.319 1.395 20 0 BDADLO c1cn2ccc(NCc3cccnn3)cc2[nH+]1 ZINC001167324621 957757783 /nfs/dbraw/zinc/75/77/83/957757783.db2.gz VVQREAWQSPADMA-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO O=C1CC(Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC001167339034 957794880 /nfs/dbraw/zinc/79/48/80/957794880.db2.gz QAGQMWXFROYUDW-UHFFFAOYSA-N 1 2 242.282 1.470 20 0 BDADLO Cc1cccn2c(C[NH+]3CC4(COC4)C3)cnc12 ZINC001136958288 972305659 /nfs/dbraw/zinc/30/56/59/972305659.db2.gz KCIIWCXVTDQEKI-UHFFFAOYSA-N 1 2 243.310 1.475 20 0 BDADLO O=C(CC[N@@H+]1CC[C@H](F)C1)NOCC1CCC1 ZINC001167369083 957912179 /nfs/dbraw/zinc/91/21/79/957912179.db2.gz POWWPDHYAXOZDY-NSHDSACASA-N 1 2 244.310 1.268 20 0 BDADLO O=C(CC[N@H+]1CC[C@H](F)C1)NOCC1CCC1 ZINC001167369083 957912173 /nfs/dbraw/zinc/91/21/73/957912173.db2.gz POWWPDHYAXOZDY-NSHDSACASA-N 1 2 244.310 1.268 20 0 BDADLO O=c1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)[nH]1 ZINC001207074421 957919902 /nfs/dbraw/zinc/91/99/02/957919902.db2.gz KQXDXUAWKJJWSD-GHMZBOCLSA-N 1 2 220.272 1.150 20 0 BDADLO O=c1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)[nH]1 ZINC001207074421 957919912 /nfs/dbraw/zinc/91/99/12/957919912.db2.gz KQXDXUAWKJJWSD-GHMZBOCLSA-N 1 2 220.272 1.150 20 0 BDADLO C/C=C(\C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001125436993 957924977 /nfs/dbraw/zinc/92/49/77/957924977.db2.gz BJDXUMVIOJLOPR-RUDMXATFSA-N 1 2 237.303 1.155 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C(C)C ZINC001136973660 972310400 /nfs/dbraw/zinc/31/04/00/972310400.db2.gz FTDOLAOCWLJSQL-GFCCVEGCSA-N 1 2 235.331 1.908 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2c[nH]nn2)[C@@H]2CCCO[C@@H]21 ZINC000398356219 958229491 /nfs/dbraw/zinc/22/94/91/958229491.db2.gz HWUAVRZUPHFOTJ-AXFHLTTASA-N 1 2 236.319 1.098 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2cn[nH]n2)[C@@H]2CCCO[C@@H]21 ZINC000398356219 958229501 /nfs/dbraw/zinc/22/95/01/958229501.db2.gz HWUAVRZUPHFOTJ-AXFHLTTASA-N 1 2 236.319 1.098 20 0 BDADLO C[C@H]([C@H](C)O)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001167491080 958527541 /nfs/dbraw/zinc/52/75/41/958527541.db2.gz KRZSIHOVSCJNPA-LURQLKTLSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@H]([C@H](C)O)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001167491080 958527563 /nfs/dbraw/zinc/52/75/63/958527563.db2.gz KRZSIHOVSCJNPA-LURQLKTLSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@@H](C(=O)Nc1cncc(F)c1)n1cc[nH+]c1 ZINC001326995170 972359279 /nfs/dbraw/zinc/35/92/79/972359279.db2.gz BSAMAAXXEXFYTL-QMMMGPOBSA-N 1 2 234.234 1.617 20 0 BDADLO CC(=O)NC[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001266917550 958591771 /nfs/dbraw/zinc/59/17/71/958591771.db2.gz DJVJDEMFBPVGOU-QMMMGPOBSA-N 1 2 237.303 1.166 20 0 BDADLO CNc1cc(N(C)CCCSC)nc[nH+]1 ZINC000300838198 958663443 /nfs/dbraw/zinc/66/34/43/958663443.db2.gz LNZKIYFPCIDUNY-UHFFFAOYSA-N 1 2 226.349 1.708 20 0 BDADLO CNc1cc(N(C)CCCSC)[nH+]cn1 ZINC000300838198 958663450 /nfs/dbraw/zinc/66/34/50/958663450.db2.gz LNZKIYFPCIDUNY-UHFFFAOYSA-N 1 2 226.349 1.708 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1C/C=C\Cl ZINC000588473583 958719541 /nfs/dbraw/zinc/71/95/41/958719541.db2.gz WOQTWBOYDFKIRV-ADLDAWLNSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1C/C=C\Cl ZINC000588473583 958719569 /nfs/dbraw/zinc/71/95/69/958719569.db2.gz WOQTWBOYDFKIRV-ADLDAWLNSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)cc(F)cc2F)C[C@H]1O ZINC001140530100 958793578 /nfs/dbraw/zinc/79/35/78/958793578.db2.gz PUCHIDJNSHVTKG-JVXZTZIISA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)cc(F)cc2F)C[C@H]1O ZINC001140530100 958793598 /nfs/dbraw/zinc/79/35/98/958793598.db2.gz PUCHIDJNSHVTKG-JVXZTZIISA-N 1 2 245.244 1.917 20 0 BDADLO CCCOC[C@H](C)OCCn1cc[nH+]c1 ZINC001222134821 972380254 /nfs/dbraw/zinc/38/02/54/972380254.db2.gz PCMYZPJUOCDCJY-NSHDSACASA-N 1 2 212.293 1.715 20 0 BDADLO C[C@H](OCCn1cc[nH+]c1)c1cncnc1 ZINC001222134199 972381083 /nfs/dbraw/zinc/38/10/83/972381083.db2.gz BQHXHOWYWCWCAL-JTQLQIEISA-N 1 2 218.260 1.451 20 0 BDADLO C[C@H]1COCC[C@H]1OCCn1cc[nH+]c1 ZINC001222139945 972385934 /nfs/dbraw/zinc/38/59/34/972385934.db2.gz YXXOPYFPWCWKBD-WDEREUQCSA-N 1 2 210.277 1.325 20 0 BDADLO C[C@@H]1COCC[C@H]1OCCn1cc[nH+]c1 ZINC001222139942 972386536 /nfs/dbraw/zinc/38/65/36/972386536.db2.gz YXXOPYFPWCWKBD-GHMZBOCLSA-N 1 2 210.277 1.325 20 0 BDADLO CCOC(=O)[C@H](CC)OCCn1cc[nH+]c1 ZINC001222139432 972389330 /nfs/dbraw/zinc/38/93/30/972389330.db2.gz RNKMYEDRGKITDG-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO C[C@@H](OCCn1cc[nH+]c1)c1cnccn1 ZINC001222138877 972386797 /nfs/dbraw/zinc/38/67/97/972386797.db2.gz LDXUBNNWCGHVKP-SNVBAGLBSA-N 1 2 218.260 1.451 20 0 BDADLO CCO/C=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001167598354 959017777 /nfs/dbraw/zinc/01/77/77/959017777.db2.gz SGMCEAGVJKCROM-VMPITWQZSA-N 1 2 231.255 1.823 20 0 BDADLO Cc1cc2cc(NCC(C)(C)C(N)=O)[nH+]cc2[nH]1 ZINC001167602468 959027938 /nfs/dbraw/zinc/02/79/38/959027938.db2.gz UCCUQMVAHFRLMO-UHFFFAOYSA-N 1 2 246.314 1.795 20 0 BDADLO CN(Cc1ccco1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724692304 959055679 /nfs/dbraw/zinc/05/56/79/959055679.db2.gz CIINVJDAWHMRRQ-MRVPVSSYSA-N 1 2 232.230 1.221 20 0 BDADLO Nc1cc(CNc2c(F)ccc[n+]2[O-])cc[nH+]1 ZINC001167613414 959061337 /nfs/dbraw/zinc/06/13/37/959061337.db2.gz KFWLVHANYNKDOB-UHFFFAOYSA-N 1 2 234.234 1.048 20 0 BDADLO Nc1ccc(F)c(NCc2cc[nH+]c(N)c2)c1 ZINC001167616720 959075860 /nfs/dbraw/zinc/07/58/60/959075860.db2.gz NQGKPLMFUIWARU-UHFFFAOYSA-N 1 2 232.262 1.997 20 0 BDADLO COc1ncc(C)cc1NCc1cc[nH+]c(N)c1 ZINC001167616498 959082372 /nfs/dbraw/zinc/08/23/72/959082372.db2.gz JNIZTZDJJBSZBY-UHFFFAOYSA-N 1 2 244.298 1.988 20 0 BDADLO Nc1cc(CNc2cccc3nncn32)cc[nH+]1 ZINC001167617862 959092505 /nfs/dbraw/zinc/09/25/05/959092505.db2.gz YQSCYKWDFWHWNF-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO Cc1[nH]c(CN2C[C@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000724782490 959489498 /nfs/dbraw/zinc/48/94/98/959489498.db2.gz BSPQAQHPUTYSHA-IUCAKERBSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]cc(CN2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000724782490 959489504 /nfs/dbraw/zinc/48/95/04/959489504.db2.gz BSPQAQHPUTYSHA-IUCAKERBSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1cnc(C[NH2+]CCN(C)C(=O)C(C)C)o1 ZINC001267349523 959500609 /nfs/dbraw/zinc/50/06/09/959500609.db2.gz WLUBHSVJAKWNPY-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO C/C=C(\C)C(=O)NCc1c[nH+]cn1CCOC ZINC001143950416 972438993 /nfs/dbraw/zinc/43/89/93/972438993.db2.gz OJESJNWUJQGSRH-ONNFQVAWSA-N 1 2 237.303 1.112 20 0 BDADLO Cc1cc(N2CC(O)C2)[nH+]c2ccccc12 ZINC000309252590 959808569 /nfs/dbraw/zinc/80/85/69/959808569.db2.gz BNZPQXOWVPIYGK-UHFFFAOYSA-N 1 2 214.268 1.724 20 0 BDADLO Cc1cc(=O)[nH]c(O[C@H]2C[NH2+]CC2(F)F)c1 ZINC001218231023 959908265 /nfs/dbraw/zinc/90/82/65/959908265.db2.gz HCMWXQZMCUCGES-ZETCQYMHSA-N 1 2 230.214 1.082 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164109622 959977012 /nfs/dbraw/zinc/97/70/12/959977012.db2.gz QBIUTAZNJVMFFI-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CCCCOCC[NH+]1CC(NC(=O)CCC)C1 ZINC001267636302 960153036 /nfs/dbraw/zinc/15/30/36/960153036.db2.gz XHWRJCWAHRJBNJ-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO O=C(C[C@@H]1C=CCC1)NCC1C[NH+](CCF)C1 ZINC001267674552 960193025 /nfs/dbraw/zinc/19/30/25/960193025.db2.gz DGPGWOYARHXRGO-LLVKDONJSA-N 1 2 240.322 1.360 20 0 BDADLO FC1(F)CO[C@]2(CC[N@H+](Cc3ncco3)C2)C1 ZINC001141011354 960199986 /nfs/dbraw/zinc/19/99/86/960199986.db2.gz ZIJNFPZMNGRHDV-SNVBAGLBSA-N 1 2 244.241 1.675 20 0 BDADLO FC1(F)CO[C@]2(CC[N@@H+](Cc3ncco3)C2)C1 ZINC001141011354 960199992 /nfs/dbraw/zinc/19/99/92/960199992.db2.gz ZIJNFPZMNGRHDV-SNVBAGLBSA-N 1 2 244.241 1.675 20 0 BDADLO Cc1ccncc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001141035989 960223481 /nfs/dbraw/zinc/22/34/81/960223481.db2.gz JDSWKDFSGQJLPH-TXEJJXNPSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccncc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001141035989 960223498 /nfs/dbraw/zinc/22/34/98/960223498.db2.gz JDSWKDFSGQJLPH-TXEJJXNPSA-N 1 2 204.273 1.363 20 0 BDADLO c1cn2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)cc2n1 ZINC001141046004 960252565 /nfs/dbraw/zinc/25/25/65/960252565.db2.gz JFDFEZRHAFZDDE-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO c1cn2ccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)cc2n1 ZINC001141046004 960252577 /nfs/dbraw/zinc/25/25/77/960252577.db2.gz JFDFEZRHAFZDDE-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO c1cn2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2[nH+]1 ZINC001141046004 960252583 /nfs/dbraw/zinc/25/25/83/960252583.db2.gz JFDFEZRHAFZDDE-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO C[C@@H]1CC(=O)CCN1Cc1ccn2cc[nH+]c2c1 ZINC001141046939 960259058 /nfs/dbraw/zinc/25/90/58/960259058.db2.gz AAMSSMIIEVGBKI-LLVKDONJSA-N 1 2 243.310 1.888 20 0 BDADLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)nc(F)n1 ZINC000709188402 960408079 /nfs/dbraw/zinc/40/80/79/960408079.db2.gz HLKCLKDBSXUNRE-VIFPVBQESA-N 1 2 235.266 1.621 20 0 BDADLO Cc1nn(C)c(C)c1C[NH+]1CC2(C1)CCCCO2 ZINC001203053227 960465517 /nfs/dbraw/zinc/46/55/17/960465517.db2.gz QVNBAOKCJODOMV-UHFFFAOYSA-N 1 2 249.358 1.792 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@](F)(CO)CC2)n[nH]1 ZINC001203070390 960625176 /nfs/dbraw/zinc/62/51/76/960625176.db2.gz RBLVYOWKOQOLFH-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001327267033 972526088 /nfs/dbraw/zinc/52/60/88/972526088.db2.gz JPDCITHUDXSHSS-FYBVGQRMSA-N 1 2 246.318 1.666 20 0 BDADLO COCCC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203075240 960670744 /nfs/dbraw/zinc/67/07/44/960670744.db2.gz ATWPMCIZSRVEFV-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnco2)CCO1 ZINC001140933730 960709667 /nfs/dbraw/zinc/70/96/67/960709667.db2.gz GRQYGPHHGPKJFL-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnco2)CCO1 ZINC001140933730 960709686 /nfs/dbraw/zinc/70/96/86/960709686.db2.gz GRQYGPHHGPKJFL-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ncco2)C1 ZINC001141010411 960812378 /nfs/dbraw/zinc/81/23/78/960812378.db2.gz QMKIMFVMLZPYFV-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncco2)C1 ZINC001141010411 960812380 /nfs/dbraw/zinc/81/23/80/960812380.db2.gz QMKIMFVMLZPYFV-LLVKDONJSA-N 1 2 237.303 1.117 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011617 960815102 /nfs/dbraw/zinc/81/51/02/960815102.db2.gz KEYGQDQLUXAJCT-QMMMGPOBSA-N 1 2 249.236 1.385 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011617 960815105 /nfs/dbraw/zinc/81/51/05/960815105.db2.gz KEYGQDQLUXAJCT-QMMMGPOBSA-N 1 2 249.236 1.385 20 0 BDADLO Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001141035190 960826891 /nfs/dbraw/zinc/82/68/91/960826891.db2.gz MSBMSODOWRSREC-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001141035190 960826900 /nfs/dbraw/zinc/82/69/00/960826900.db2.gz MSBMSODOWRSREC-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001141051605 960829502 /nfs/dbraw/zinc/82/95/02/960829502.db2.gz IHBFPEYWDQVSBN-VIFPVBQESA-N 1 2 222.288 1.784 20 0 BDADLO Cc1ncoc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001141051605 960829512 /nfs/dbraw/zinc/82/95/12/960829512.db2.gz IHBFPEYWDQVSBN-VIFPVBQESA-N 1 2 222.288 1.784 20 0 BDADLO C[N@H+](Cc1ccc2c(c1)OCCO2)C1COC1 ZINC001141039633 960830496 /nfs/dbraw/zinc/83/04/96/960830496.db2.gz PIFRMKBPHQBVAB-UHFFFAOYSA-N 1 2 235.283 1.288 20 0 BDADLO C[N@@H+](Cc1ccc2c(c1)OCCO2)C1COC1 ZINC001141039633 960830503 /nfs/dbraw/zinc/83/05/03/960830503.db2.gz PIFRMKBPHQBVAB-UHFFFAOYSA-N 1 2 235.283 1.288 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141046683 960835510 /nfs/dbraw/zinc/83/55/10/960835510.db2.gz LBEGIYSBNPPHBH-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccn2ccnc2c1 ZINC001141046683 960835517 /nfs/dbraw/zinc/83/55/17/960835517.db2.gz LBEGIYSBNPPHBH-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CCCCc1[nH]cc(CN2CC(OC)C2)[nH+]1 ZINC001141066797 960854837 /nfs/dbraw/zinc/85/48/37/960854837.db2.gz LWEFHXJLQBKLGL-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CCCCc1[nH]c(CN2CC(OC)C2)c[nH+]1 ZINC001141066797 960854836 /nfs/dbraw/zinc/85/48/36/960854836.db2.gz LWEFHXJLQBKLGL-UHFFFAOYSA-N 1 2 223.320 1.583 20 0 BDADLO CCCCc1ncc(C[N@@H+]2CC[C@H](OC)C2)[nH]1 ZINC001141068028 960860296 /nfs/dbraw/zinc/86/02/96/960860296.db2.gz WBUSCESEQZTALD-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1ncc(C[N@H+]2CC[C@H](OC)C2)[nH]1 ZINC001141068028 960860308 /nfs/dbraw/zinc/86/03/08/960860308.db2.gz WBUSCESEQZTALD-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]c(CN(C)CC(=O)OC)c[nH+]1 ZINC001141071581 960863529 /nfs/dbraw/zinc/86/35/29/960863529.db2.gz VMKNHYLXICJQGE-UHFFFAOYSA-N 1 2 239.319 1.357 20 0 BDADLO CCCCc1[nH]cc(CN(C)CC(=O)OC)[nH+]1 ZINC001141071581 960863532 /nfs/dbraw/zinc/86/35/32/960863532.db2.gz VMKNHYLXICJQGE-UHFFFAOYSA-N 1 2 239.319 1.357 20 0 BDADLO CCCCc1nc(C[N@@H+]2CCC[C@@H](O)C2)c[nH]1 ZINC001141067307 960863744 /nfs/dbraw/zinc/86/37/44/960863744.db2.gz ZVPBEVMRUAGRMX-GFCCVEGCSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1nc(C[N@H+]2CCC[C@@H](O)C2)c[nH]1 ZINC001141067307 960863751 /nfs/dbraw/zinc/86/37/51/960863751.db2.gz ZVPBEVMRUAGRMX-GFCCVEGCSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1ncc(C[N@@H+]2CCC[C@@H](O)C2)[nH]1 ZINC001141067307 960863764 /nfs/dbraw/zinc/86/37/64/960863764.db2.gz ZVPBEVMRUAGRMX-GFCCVEGCSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1ncc(C[N@H+]2CCC[C@@H](O)C2)[nH]1 ZINC001141067307 960863781 /nfs/dbraw/zinc/86/37/81/960863781.db2.gz ZVPBEVMRUAGRMX-GFCCVEGCSA-N 1 2 237.347 1.709 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)co1 ZINC001141126625 960872391 /nfs/dbraw/zinc/87/23/91/960872391.db2.gz PVMWYHKKVACVGB-PWSUYJOCSA-N 1 2 222.288 1.676 20 0 BDADLO c1nc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)co1 ZINC001141126625 960872396 /nfs/dbraw/zinc/87/23/96/960872396.db2.gz PVMWYHKKVACVGB-PWSUYJOCSA-N 1 2 222.288 1.676 20 0 BDADLO COc1ccc2nccc(C[NH+]3CC(O)C3)c2c1 ZINC001141147342 960886467 /nfs/dbraw/zinc/88/64/67/960886467.db2.gz ZPLVUTZBEGKXBZ-UHFFFAOYSA-N 1 2 244.294 1.420 20 0 BDADLO CCCNc1cc(N2CC[C@H](F)C2)nc[nH+]1 ZINC000689822822 960919752 /nfs/dbraw/zinc/91/97/52/960919752.db2.gz JPLCSTPAXQNDKQ-VIFPVBQESA-N 1 2 224.283 1.847 20 0 BDADLO CCCNc1cc(N2CC[C@H](F)C2)[nH+]cn1 ZINC000689822822 960919770 /nfs/dbraw/zinc/91/97/70/960919770.db2.gz JPLCSTPAXQNDKQ-VIFPVBQESA-N 1 2 224.283 1.847 20 0 BDADLO COc1cc[nH+]cc1NC1(CO)CCCC1 ZINC001167804370 961057121 /nfs/dbraw/zinc/05/71/21/961057121.db2.gz GBSCONJVMWOGOA-UHFFFAOYSA-N 1 2 222.288 1.807 20 0 BDADLO COCC[NH+]1CC(NC(=O)CCCC2CC2)C1 ZINC001481578717 961222838 /nfs/dbraw/zinc/22/28/38/961222838.db2.gz HXPLYMIZQGALFW-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCOC(=O)c1ccnc(NC=[NH2+])c1C ZINC001167865410 961341658 /nfs/dbraw/zinc/34/16/58/961341658.db2.gz VRIASTQZLMCOJC-UHFFFAOYSA-N 1 2 207.233 1.586 20 0 BDADLO [NH2+]=CNc1nc(C2CC2)nc2c1CCC2 ZINC001167865972 961343435 /nfs/dbraw/zinc/34/34/35/961343435.db2.gz YEPNQBBXFJLYGE-UHFFFAOYSA-N 1 2 202.261 1.862 20 0 BDADLO CCCSCC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001481698656 961585201 /nfs/dbraw/zinc/58/52/01/961585201.db2.gz DTODUWZRBAUALI-SNVBAGLBSA-N 1 2 248.367 1.290 20 0 BDADLO CCCSCC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001481698656 961585221 /nfs/dbraw/zinc/58/52/21/961585221.db2.gz DTODUWZRBAUALI-SNVBAGLBSA-N 1 2 248.367 1.290 20 0 BDADLO CC1(O)C[NH+](Cc2cccc3nc[nH]c32)C1 ZINC001142672890 961591597 /nfs/dbraw/zinc/59/15/97/961591597.db2.gz RBFDFJITDUYCTB-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)s1 ZINC001139809057 961662707 /nfs/dbraw/zinc/66/27/07/961662707.db2.gz MZIOJSNLXGHBCI-DTWKUNHWSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](F)[C@H](O)C2)s1 ZINC001139809057 961662715 /nfs/dbraw/zinc/66/27/15/961662715.db2.gz MZIOJSNLXGHBCI-DTWKUNHWSA-N 1 2 230.308 1.356 20 0 BDADLO CCC(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001142718316 961679365 /nfs/dbraw/zinc/67/93/65/961679365.db2.gz BLCQHSFBYYQDOX-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO COCCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001142716806 961683561 /nfs/dbraw/zinc/68/35/61/961683561.db2.gz OLXBXRVJIOTLTG-UHFFFAOYSA-N 1 2 247.298 1.443 20 0 BDADLO CCc1cnn(Cc2ccc(N)[nH+]c2)c1 ZINC000402068724 961809636 /nfs/dbraw/zinc/80/96/36/961809636.db2.gz LPCQVDVEGYZONW-UHFFFAOYSA-N 1 2 202.261 1.301 20 0 BDADLO COC1(C)C[NH+](Cc2cccn3ccnc23)C1 ZINC001142944302 961844587 /nfs/dbraw/zinc/84/45/87/961844587.db2.gz JPFDCLABLZHOBV-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO c1cn2cc(CN3CCOCC3)ccc2[nH+]1 ZINC001143018380 961864501 /nfs/dbraw/zinc/86/45/01/961864501.db2.gz ILPNWFNOXLZDEL-UHFFFAOYSA-N 1 2 217.272 1.167 20 0 BDADLO C[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)CCC1=O ZINC001143018878 961865133 /nfs/dbraw/zinc/86/51/33/961865133.db2.gz OSXVFVROHLQDCR-LLVKDONJSA-N 1 2 243.310 1.745 20 0 BDADLO O[C@@H]1CCN(Cc2ccc3[nH+]ccn3c2)C[C@H]1F ZINC001143017900 961866107 /nfs/dbraw/zinc/86/61/07/961866107.db2.gz AYSPLFJIGFURFX-VXGBXAGGSA-N 1 2 249.289 1.239 20 0 BDADLO CCN1CC[N@H+](Cc2cnc(N)s2)C[C@H]1C ZINC000250357553 961913290 /nfs/dbraw/zinc/91/32/90/961913290.db2.gz SOAXRKWZSTXBJI-SECBINFHSA-N 1 2 240.376 1.251 20 0 BDADLO CCN1CC[N@@H+](Cc2cnc(N)s2)C[C@H]1C ZINC000250357553 961913323 /nfs/dbraw/zinc/91/33/23/961913323.db2.gz SOAXRKWZSTXBJI-SECBINFHSA-N 1 2 240.376 1.251 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1N ZINC001143208063 961942957 /nfs/dbraw/zinc/94/29/57/961942957.db2.gz QQFHNCKUOXXTCL-CYBMUJFWSA-N 1 2 247.342 1.916 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)nc1N ZINC001143208063 961942981 /nfs/dbraw/zinc/94/29/81/961942981.db2.gz QQFHNCKUOXXTCL-CYBMUJFWSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1nc(C[NH2+]CC(=O)NCC(C)C)cs1 ZINC000041011019 962063838 /nfs/dbraw/zinc/06/38/38/962063838.db2.gz ONBIQBRGRWFRIG-UHFFFAOYSA-N 1 2 241.360 1.313 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167931584 962067191 /nfs/dbraw/zinc/06/71/91/962067191.db2.gz OSKIAOVUKIJILJ-HWUMTFDVSA-N 1 2 227.279 1.370 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167931584 962067216 /nfs/dbraw/zinc/06/72/16/962067216.db2.gz OSKIAOVUKIJILJ-HWUMTFDVSA-N 1 2 227.279 1.370 20 0 BDADLO Cc1cnc(NC(=O)[C@H](C)n2cc[nH+]c2)s1 ZINC000045877914 962082550 /nfs/dbraw/zinc/08/25/50/962082550.db2.gz ZCIKWVDSBXAWOU-QMMMGPOBSA-N 1 2 236.300 1.848 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203198570 962158961 /nfs/dbraw/zinc/15/89/61/962158961.db2.gz MDOSWFRBLMOCSG-VHSXEESVSA-N 1 2 206.293 1.427 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203198570 962158976 /nfs/dbraw/zinc/15/89/76/962158976.db2.gz MDOSWFRBLMOCSG-VHSXEESVSA-N 1 2 206.293 1.427 20 0 BDADLO CC[N@H+](Cc1cc(C)on1)[C@H](C)CNC(C)=O ZINC001151454136 962284246 /nfs/dbraw/zinc/28/42/46/962284246.db2.gz OCQMWUVCUVOYSH-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO CC[N@@H+](Cc1cc(C)on1)[C@H](C)CNC(C)=O ZINC001151454136 962284276 /nfs/dbraw/zinc/28/42/76/962284276.db2.gz OCQMWUVCUVOYSH-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)C1(CCF)CC1 ZINC001268854037 962358135 /nfs/dbraw/zinc/35/81/35/962358135.db2.gz BGUGUXWOATWUGX-UHFFFAOYSA-N 1 2 246.301 1.144 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000924947234 962585914 /nfs/dbraw/zinc/58/59/14/962585914.db2.gz CAIUJAKHNJOPSF-PSASIEDQSA-N 1 2 248.334 1.269 20 0 BDADLO CNc1cc(N(C)Cc2scnc2C)nc[nH+]1 ZINC000133728075 962663850 /nfs/dbraw/zinc/66/38/50/962663850.db2.gz AYAJZWMEPKIIFS-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CNc1cc(N(C)Cc2scnc2C)[nH+]cn1 ZINC000133728075 962663872 /nfs/dbraw/zinc/66/38/72/962663872.db2.gz AYAJZWMEPKIIFS-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001154130714 962716989 /nfs/dbraw/zinc/71/69/89/962716989.db2.gz DSYMRWSFEIUZIG-IJLUTSLNSA-N 1 2 247.342 1.515 20 0 BDADLO COc1nscc1C[N@@H+](CCO)C1CC1 ZINC000711613294 962734950 /nfs/dbraw/zinc/73/49/50/962734950.db2.gz OUFWJBAYIZAHBC-UHFFFAOYSA-N 1 2 228.317 1.108 20 0 BDADLO COc1nscc1C[N@H+](CCO)C1CC1 ZINC000711613294 962734937 /nfs/dbraw/zinc/73/49/37/962734937.db2.gz OUFWJBAYIZAHBC-UHFFFAOYSA-N 1 2 228.317 1.108 20 0 BDADLO COCc1cc[nH+]c(NC[C@H](O)c2ccco2)c1 ZINC001154869374 962874440 /nfs/dbraw/zinc/87/44/40/962874440.db2.gz VPTROJKBNUNKFC-NSHDSACASA-N 1 2 248.282 1.967 20 0 BDADLO Nc1[nH+]c(NCc2ncon2)ccc1Cl ZINC001154900063 962888033 /nfs/dbraw/zinc/88/80/33/962888033.db2.gz UNURCQGOWDYPIR-UHFFFAOYSA-N 1 2 225.639 1.312 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2ccc3occc3n2)C1 ZINC001155196887 963017677 /nfs/dbraw/zinc/01/76/77/963017677.db2.gz OWIPNIUDNYPZTP-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2ccc3occc3n2)C1 ZINC001155196887 963017693 /nfs/dbraw/zinc/01/76/93/963017693.db2.gz OWIPNIUDNYPZTP-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO CN(C)c1cc(NCc2cccn2C)[nH+]cn1 ZINC001155210017 963022563 /nfs/dbraw/zinc/02/25/63/963022563.db2.gz AFQDEDHSOOTVEI-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CN(C)c1cc(NCc2cccn2C)nc[nH+]1 ZINC001155210017 963022582 /nfs/dbraw/zinc/02/25/82/963022582.db2.gz AFQDEDHSOOTVEI-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CCC(CO)(CO)Nc1cc(C)c2[nH]ccc2[nH+]1 ZINC001167972531 963054865 /nfs/dbraw/zinc/05/48/65/963054865.db2.gz SWHWPYAGBANRSY-UHFFFAOYSA-N 1 2 249.314 1.417 20 0 BDADLO Cc1nonc1CNc1ccc(Cl)c(N)[nH+]1 ZINC001156090545 963260028 /nfs/dbraw/zinc/26/00/28/963260028.db2.gz PSFXEYMLCGVKBL-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO C=Cc1ccc(NC[C@@H]2CCC(=O)N2)[nH+]c1 ZINC001156151037 963267199 /nfs/dbraw/zinc/26/71/99/963267199.db2.gz IIJAZDHFANRKHD-JTQLQIEISA-N 1 2 217.272 1.415 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC(=O)N(C)C[C@@H]1C ZINC001156185735 963276883 /nfs/dbraw/zinc/27/68/83/963276883.db2.gz DKCOOUHLMUTTDF-JTQLQIEISA-N 1 2 249.314 1.066 20 0 BDADLO CC(C)c1ccc(N2CC(=O)N(C)C[C@@H]2C)[nH+]c1 ZINC001156185925 963278990 /nfs/dbraw/zinc/27/89/90/963278990.db2.gz FNRRTLBKAYLNTI-NSHDSACASA-N 1 2 247.342 1.872 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC(=O)N(C)C[C@@H]1C ZINC001156190208 963281727 /nfs/dbraw/zinc/28/17/27/963281727.db2.gz IMVLXONUAFJBGG-JTQLQIEISA-N 1 2 249.314 1.066 20 0 BDADLO Cc1cc[nH+]c(NCCNC(=O)C(F)(F)F)c1 ZINC001156197208 963288257 /nfs/dbraw/zinc/28/82/57/963288257.db2.gz QQJNRCQNWJISNM-UHFFFAOYSA-N 1 2 247.220 1.480 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2cc(C)c(C)cn2)C[NH2+]1 ZINC001156249355 963295848 /nfs/dbraw/zinc/29/58/48/963295848.db2.gz GWCMLTJNEBWSOW-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2C[C@@H]2C(F)F)c[nH+]1 ZINC001156537939 963379971 /nfs/dbraw/zinc/37/99/71/963379971.db2.gz DUMBLUUAAGIRRV-YUMQZZPRSA-N 1 2 243.257 1.490 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@@H]2C(F)F)[nH+]1 ZINC001156537939 963379986 /nfs/dbraw/zinc/37/99/86/963379986.db2.gz DUMBLUUAAGIRRV-YUMQZZPRSA-N 1 2 243.257 1.490 20 0 BDADLO CCOc1ccc[nH+]c1NCc1cncnc1 ZINC001156575574 963390034 /nfs/dbraw/zinc/39/00/34/963390034.db2.gz HQMGTVDMGCJZBU-UHFFFAOYSA-N 1 2 230.271 1.882 20 0 BDADLO CCn1cc(C[N@H+](C)CC2=NOCC2)cn1 ZINC001307476783 963404035 /nfs/dbraw/zinc/40/40/35/963404035.db2.gz AIBLYQYKJHLKMT-UHFFFAOYSA-N 1 2 222.292 1.111 20 0 BDADLO Nc1cc(CNc2ccc(F)c[n+]2[O-])cc[nH+]1 ZINC001156756374 963454859 /nfs/dbraw/zinc/45/48/59/963454859.db2.gz WKDDWHPZKXQSPN-UHFFFAOYSA-N 1 2 234.234 1.048 20 0 BDADLO Nc1cc(CNc2cnc(Cl)cc2N)cc[nH+]1 ZINC001156761254 963455192 /nfs/dbraw/zinc/45/51/92/963455192.db2.gz RBVWNIZVIDYRBG-UHFFFAOYSA-N 1 2 249.705 1.907 20 0 BDADLO CCOCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157119034 963535652 /nfs/dbraw/zinc/53/56/52/963535652.db2.gz IMVXLUQOODNKJC-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO CCOCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157119034 963535658 /nfs/dbraw/zinc/53/56/58/963535658.db2.gz IMVXLUQOODNKJC-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCO[C@@H](C)C2)CCC1 ZINC001168071529 963598924 /nfs/dbraw/zinc/59/89/24/963598924.db2.gz JADLHQZQVUVCST-VHSXEESVSA-N 1 2 227.304 1.239 20 0 BDADLO c1nn[nH]c1C[NH+]1C2CCCC1CCC2 ZINC001203212338 963628900 /nfs/dbraw/zinc/62/89/00/963628900.db2.gz QRJOYAPESRGXSW-UHFFFAOYSA-N 1 2 206.293 1.712 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168100943 963709197 /nfs/dbraw/zinc/70/91/97/963709197.db2.gz GBPZBMSTUCXJIJ-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO O=C1C[C@@H](Nc2cc3ccccc3c[nH+]2)CO1 ZINC001158242519 963837081 /nfs/dbraw/zinc/83/70/81/963837081.db2.gz JBNBVLJJVSMIKP-LLVKDONJSA-N 1 2 228.251 1.962 20 0 BDADLO Cc1nc2c(s1)CN(Cc1c[nH+]cn1C)C2 ZINC001204385464 963881421 /nfs/dbraw/zinc/88/14/21/963881421.db2.gz HDCGPROEXWSGHX-UHFFFAOYSA-N 1 2 234.328 1.701 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C2CC2)ccn1 ZINC001158706597 963904919 /nfs/dbraw/zinc/90/49/19/963904919.db2.gz BKBVTDNIUOARCZ-ZDUSSCGKSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cc(C2CC2)ccn1 ZINC001158706597 963904923 /nfs/dbraw/zinc/90/49/23/963904923.db2.gz BKBVTDNIUOARCZ-ZDUSSCGKSA-N 1 2 247.342 1.702 20 0 BDADLO CN(C)c1cc(N2C3CCC2CC3)nc[nH+]1 ZINC001159079826 963991365 /nfs/dbraw/zinc/99/13/65/963991365.db2.gz NYXRAPGLGDERQI-UHFFFAOYSA-N 1 2 218.304 1.674 20 0 BDADLO CN(C)c1cc(N2C3CCC2CC3)[nH+]cn1 ZINC001159079826 963991370 /nfs/dbraw/zinc/99/13/70/963991370.db2.gz NYXRAPGLGDERQI-UHFFFAOYSA-N 1 2 218.304 1.674 20 0 BDADLO CCCCOC1CN(Cc2c[nH+]cn2C)C1 ZINC001204387924 964007099 /nfs/dbraw/zinc/00/70/99/964007099.db2.gz MXJSCUNQXWTNCL-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cncn1C)C2 ZINC001204387785 964008873 /nfs/dbraw/zinc/00/88/73/964008873.db2.gz XTUZWMUCGAPGJX-JQWIXIFHSA-N 1 2 221.304 1.173 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cncn1C)C2 ZINC001204387785 964008883 /nfs/dbraw/zinc/00/88/83/964008883.db2.gz XTUZWMUCGAPGJX-JQWIXIFHSA-N 1 2 221.304 1.173 20 0 BDADLO CNc1nccc(C[N@H+](C)Cc2ccccn2)n1 ZINC000302620232 964148855 /nfs/dbraw/zinc/14/88/55/964148855.db2.gz PUDYQIIIWVLGCN-UHFFFAOYSA-N 1 2 243.314 1.545 20 0 BDADLO CNc1nccc(C[N@@H+](C)Cc2ccccn2)n1 ZINC000302620232 964148860 /nfs/dbraw/zinc/14/88/60/964148860.db2.gz PUDYQIIIWVLGCN-UHFFFAOYSA-N 1 2 243.314 1.545 20 0 BDADLO N=C(Nc1cc[nH+]c(N)n1)c1cccnc1Cl ZINC001160162769 964261400 /nfs/dbraw/zinc/26/14/00/964261400.db2.gz WRSNWHTVQRXJGD-UHFFFAOYSA-N 1 2 248.677 1.545 20 0 BDADLO CCC1(Nc2ccc(NC)[nH+]c2)COC1 ZINC001168323843 964451744 /nfs/dbraw/zinc/45/17/44/964451744.db2.gz NAURMYANNJYIEC-UHFFFAOYSA-N 1 2 207.277 1.714 20 0 BDADLO COc1ncccc1C[N@@H+](C)CC(OC)OC ZINC000714691035 964455443 /nfs/dbraw/zinc/45/54/43/964455443.db2.gz XPODEMYTOLFATI-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO COc1ncccc1C[N@H+](C)CC(OC)OC ZINC000714691035 964455453 /nfs/dbraw/zinc/45/54/53/964455453.db2.gz XPODEMYTOLFATI-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC(C)(C)C)C[N@@H+]1C ZINC001204887353 964475776 /nfs/dbraw/zinc/47/57/76/964475776.db2.gz SLVIXPGMJBFZGE-ZJUUUORDSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC(C)(C)C)C[N@H+]1C ZINC001204887353 964475799 /nfs/dbraw/zinc/47/57/99/964475799.db2.gz SLVIXPGMJBFZGE-ZJUUUORDSA-N 1 2 229.320 1.295 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001161175031 964549015 /nfs/dbraw/zinc/54/90/15/964549015.db2.gz MUVBIWFNNFGQEG-OUAUKWLOSA-N 1 2 221.304 1.605 20 0 BDADLO c1ccc(N2CC(Nc3cccnn3)C2)[nH+]c1 ZINC001161319418 964571299 /nfs/dbraw/zinc/57/12/99/964571299.db2.gz QWJCGESWZVHIGU-UHFFFAOYSA-N 1 2 227.271 1.172 20 0 BDADLO C[C@H](C(=O)Nc1nccn1C1CC1)n1cc[nH+]c1 ZINC001161588401 964643696 /nfs/dbraw/zinc/64/36/96/964643696.db2.gz UYSJGNWSNFDXFK-SECBINFHSA-N 1 2 245.286 1.614 20 0 BDADLO COc1nnc(NCCCn2cc[nH+]c2)cc1C ZINC001161682325 964684282 /nfs/dbraw/zinc/68/42/82/964684282.db2.gz ORESDADPUZSNBX-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO Nc1[nH+]c(NCCc2cnoc2)ccc1Cl ZINC001161702773 964699702 /nfs/dbraw/zinc/69/97/02/964699702.db2.gz LESFRICQFYOMBH-UHFFFAOYSA-N 1 2 238.678 1.960 20 0 BDADLO Cc1nnc(CNc2ccc(Cl)c(N)[nH+]2)o1 ZINC001161713573 964703244 /nfs/dbraw/zinc/70/32/44/964703244.db2.gz XQFFQJJRRCGTTI-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO CC(C)C1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC001142646551 964747202 /nfs/dbraw/zinc/74/72/02/964747202.db2.gz RYVUCOKKTVDPEH-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)n1cc[nH+]c1 ZINC000056969514 964752881 /nfs/dbraw/zinc/75/28/81/964752881.db2.gz DLMRSPUWEPSPRX-HBNTYKKESA-N 1 2 237.303 1.080 20 0 BDADLO CCN(C)c1cc(NCCOC(C)C)[nH+]cn1 ZINC001161788461 964757657 /nfs/dbraw/zinc/75/76/57/964757657.db2.gz YSVZYYTXUFWNGZ-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CCN(C)c1cc(NCCOC(C)C)nc[nH+]1 ZINC001161788461 964757661 /nfs/dbraw/zinc/75/76/61/964757661.db2.gz YSVZYYTXUFWNGZ-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO COC(=O)c1c(OC)cc[nH+]c1NCC(F)F ZINC001161809901 964765236 /nfs/dbraw/zinc/76/52/36/964765236.db2.gz QVHBFLSZPWZMAN-UHFFFAOYSA-N 1 2 246.213 1.554 20 0 BDADLO Cn1nccc1CNc1ccn2cc(N)[nH+]c2c1 ZINC001161873724 964803077 /nfs/dbraw/zinc/80/30/77/964803077.db2.gz CEVNWKJAYJDRDC-UHFFFAOYSA-N 1 2 242.286 1.262 20 0 BDADLO COC(=[NH2+])c1cccc(NCC(=O)NC2CC2)c1 ZINC001161897067 964810656 /nfs/dbraw/zinc/81/06/56/964810656.db2.gz FORWVJGTCCKQGI-UHFFFAOYSA-N 1 2 247.298 1.349 20 0 BDADLO Cc1nc(NCc2cn3cccnc3n2)cc[nH+]1 ZINC001161904734 964814261 /nfs/dbraw/zinc/81/42/61/964814261.db2.gz MRKFIYKGXYGGEL-UHFFFAOYSA-N 1 2 240.270 1.440 20 0 BDADLO Cn1ccnc1CNc1ccn2cc[nH+]c2c1 ZINC001161916645 964818177 /nfs/dbraw/zinc/81/81/77/964818177.db2.gz QLAXEQLILQFBGN-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO c1ccn(-c2ccc(NCC3COC3)[nH+]c2)c1 ZINC001161946023 964830067 /nfs/dbraw/zinc/83/00/67/964830067.db2.gz LWWWCAMKDYMQKQ-UHFFFAOYSA-N 1 2 229.283 1.931 20 0 BDADLO Nc1c(F)cccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000139610972 964845799 /nfs/dbraw/zinc/84/57/99/964845799.db2.gz WSCGTZNFQFQVLU-UHFFFAOYSA-N 1 2 248.261 1.104 20 0 BDADLO COC(=O)Cc1ccc(NCC(C)(F)F)[nH+]c1 ZINC001162228842 964883741 /nfs/dbraw/zinc/88/37/41/964883741.db2.gz ZMPKUBWAVKJTQE-UHFFFAOYSA-N 1 2 244.241 1.864 20 0 BDADLO NC(=O)C1(Nc2cc3cc(F)ccc3c[nH+]2)CC1 ZINC001162543878 965037748 /nfs/dbraw/zinc/03/77/48/965037748.db2.gz RVUFIEDNFWXNOQ-UHFFFAOYSA-N 1 2 245.257 1.804 20 0 BDADLO Cc1cc(C)c(CNc2cc[nH+]cc2F)c(=O)[nH]1 ZINC001162604919 965075586 /nfs/dbraw/zinc/07/55/86/965075586.db2.gz ZJZRZMGSMDKOKO-UHFFFAOYSA-N 1 2 247.273 1.972 20 0 BDADLO COc1cc[nH+]cc1NCCC(=O)N(C)C1CC1 ZINC001162627538 965077747 /nfs/dbraw/zinc/07/77/47/965077747.db2.gz LIXYVGUAGAOZJW-UHFFFAOYSA-N 1 2 249.314 1.513 20 0 BDADLO O=C1CC(CNc2ccn3cc[nH+]c3c2)C1 ZINC001168393449 965131783 /nfs/dbraw/zinc/13/17/83/965131783.db2.gz YSPQNGSEHXDPMX-UHFFFAOYSA-N 1 2 215.256 1.725 20 0 BDADLO CSc1cc[nH+]c(NC[C@@H]2CNC(=O)O2)c1 ZINC001163022136 965235804 /nfs/dbraw/zinc/23/58/04/965235804.db2.gz FDIFLJJIWZOYFR-SSDOTTSWSA-N 1 2 239.300 1.324 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1(CO)CC1 ZINC000696096159 965236093 /nfs/dbraw/zinc/23/60/93/965236093.db2.gz RJTUASRTMZLQMT-VHSXEESVSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231663074 965276881 /nfs/dbraw/zinc/27/68/81/965276881.db2.gz LCNWBMOUZOVBSC-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc2cc[nH]c2cn1 ZINC001231663074 965276899 /nfs/dbraw/zinc/27/68/99/965276899.db2.gz LCNWBMOUZOVBSC-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccno1 ZINC001163207266 965299536 /nfs/dbraw/zinc/29/95/36/965299536.db2.gz JNZPGQWCCAMJQC-MRVPVSSYSA-N 1 2 233.275 1.704 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccno1 ZINC001163207266 965299546 /nfs/dbraw/zinc/29/95/46/965299546.db2.gz JNZPGQWCCAMJQC-MRVPVSSYSA-N 1 2 233.275 1.704 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2ccncc2[nH]1 ZINC001232091164 965303877 /nfs/dbraw/zinc/30/38/77/965303877.db2.gz SUNLNZMQUGRFGY-PWSUYJOCSA-N 1 2 249.289 1.468 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc2ccncc2[nH]1 ZINC001232091164 965303889 /nfs/dbraw/zinc/30/38/89/965303889.db2.gz SUNLNZMQUGRFGY-PWSUYJOCSA-N 1 2 249.289 1.468 20 0 BDADLO COC(=O)[C@@H](Nc1c[nH+]cn1C)C(C)(C)C ZINC001163508707 965422223 /nfs/dbraw/zinc/42/22/23/965422223.db2.gz PJRRWRIAZOMDEX-SECBINFHSA-N 1 2 225.292 1.420 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2cc(C)c(F)cn2)n[nH]1 ZINC001163507761 965422570 /nfs/dbraw/zinc/42/25/70/965422570.db2.gz DHIOMHYPXXALGA-UHFFFAOYSA-N 1 2 248.265 1.592 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2cc(C)c(F)cn2)[nH]n1 ZINC001163507761 965422574 /nfs/dbraw/zinc/42/25/74/965422574.db2.gz DHIOMHYPXXALGA-UHFFFAOYSA-N 1 2 248.265 1.592 20 0 BDADLO CCN(CC)c1cc(N2CCC2)nc[nH+]1 ZINC001163538321 965433937 /nfs/dbraw/zinc/43/39/37/965433937.db2.gz YRHUHTPOFIORCR-UHFFFAOYSA-N 1 2 206.293 1.533 20 0 BDADLO CCN(CC)c1cc(N2CCC2)[nH+]cn1 ZINC001163538321 965433940 /nfs/dbraw/zinc/43/39/40/965433940.db2.gz YRHUHTPOFIORCR-UHFFFAOYSA-N 1 2 206.293 1.533 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2nc3ccccn3n2)C1 ZINC001233067324 965472318 /nfs/dbraw/zinc/47/23/18/965472318.db2.gz JCDBPRNZZRHQLF-LLVKDONJSA-N 1 2 230.315 1.961 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2nc3ccccn3n2)C1 ZINC001233067324 965472337 /nfs/dbraw/zinc/47/23/37/965472337.db2.gz JCDBPRNZZRHQLF-LLVKDONJSA-N 1 2 230.315 1.961 20 0 BDADLO CSc1cc[nH+]c(N2CCN(C)C(=O)C2)c1 ZINC001163635472 965489428 /nfs/dbraw/zinc/48/94/28/965489428.db2.gz TVKZIVOZKRHJEG-UHFFFAOYSA-N 1 2 237.328 1.082 20 0 BDADLO O=C1NC(=O)[C@@H](Nc2cccn3c[nH+]cc23)S1 ZINC001163672600 965500200 /nfs/dbraw/zinc/50/02/00/965500200.db2.gz OFKROPXIYKDQFO-VIFPVBQESA-N 1 2 248.267 1.055 20 0 BDADLO Cc1cc(C[NH2+]C2(CNC(=O)C3CC3)CC2)no1 ZINC001483711350 965564221 /nfs/dbraw/zinc/56/42/21/965564221.db2.gz OADLXXFTPAJAEM-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO CC(C)(C)C(=O)CNc1ccn2cc(N)[nH+]c2c1 ZINC001164005837 965692676 /nfs/dbraw/zinc/69/26/76/965692676.db2.gz WCYSVKOUDRPOAX-UHFFFAOYSA-N 1 2 246.314 1.944 20 0 BDADLO COc1ccc(C)[nH+]c1N1C[C@H](O)CC[C@H]1C ZINC001164121290 965743612 /nfs/dbraw/zinc/74/36/12/965743612.db2.gz LOMZSIRVGFSKEF-GHMZBOCLSA-N 1 2 236.315 1.748 20 0 BDADLO Cc1nc(N2C[C@H](O)CC[C@H]2C)c(C)c(C)[nH+]1 ZINC001164123952 965746771 /nfs/dbraw/zinc/74/67/71/965746771.db2.gz RVPZUVBVNZUCGE-PRHODGIISA-N 1 2 235.331 1.751 20 0 BDADLO Cc1cc2cc(NC[C@@H]3CCC(=O)N3)[nH+]cc2[nH]1 ZINC001164162884 965767817 /nfs/dbraw/zinc/76/78/17/965767817.db2.gz PWDYEPJISQTNSM-JTQLQIEISA-N 1 2 244.298 1.562 20 0 BDADLO Cc1nnc(NCc2c[nH]c(C(C)C)[nH+]2)nc1C ZINC001164226561 965806509 /nfs/dbraw/zinc/80/65/09/965806509.db2.gz VDYAVKHCYNQYRG-UHFFFAOYSA-N 1 2 246.318 1.947 20 0 BDADLO Cc1nnc(NCc2c[nH+]c(C(C)C)[nH]2)nc1C ZINC001164226561 965806519 /nfs/dbraw/zinc/80/65/19/965806519.db2.gz VDYAVKHCYNQYRG-UHFFFAOYSA-N 1 2 246.318 1.947 20 0 BDADLO CCc1[nH]c(CNc2ccnc(CC)n2)c[nH+]1 ZINC001164243072 965809413 /nfs/dbraw/zinc/80/94/13/965809413.db2.gz CYPPWVRYNUCBJK-UHFFFAOYSA-N 1 2 231.303 1.937 20 0 BDADLO C[C@H](Cc1cccc(F)c1)[NH+]1CC(O)C1 ZINC001168473379 965853949 /nfs/dbraw/zinc/85/39/49/965853949.db2.gz DXIWVJKOTORZJI-SECBINFHSA-N 1 2 209.264 1.433 20 0 BDADLO Cc1cc[nH+]cc1NCC1(CO)CCC1 ZINC001164363759 965858702 /nfs/dbraw/zinc/85/87/02/965858702.db2.gz KPUVXFURTBRUTO-UHFFFAOYSA-N 1 2 206.289 1.965 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@](C)(O)C1 ZINC001165227783 965993848 /nfs/dbraw/zinc/99/38/48/965993848.db2.gz FEPRKZBKEVBKJY-CYBMUJFWSA-N 1 2 249.314 1.310 20 0 BDADLO CSc1cc[nH+]c(N2CC[C@](C)(O)C2)c1 ZINC001165232300 965998340 /nfs/dbraw/zinc/99/83/40/965998340.db2.gz VYPDHFYYTSJZJR-NSHDSACASA-N 1 2 224.329 1.765 20 0 BDADLO C[C@H](Cc1cccc(F)c1)[NH+]1CCN(C#N)CC1 ZINC001168501354 966098644 /nfs/dbraw/zinc/09/86/44/966098644.db2.gz NRTQOABEIXCEMG-GFCCVEGCSA-N 1 2 247.317 1.855 20 0 BDADLO COC(C)(C)CNc1ccc(N(C)C)c[nH+]1 ZINC001165852647 966171703 /nfs/dbraw/zinc/17/17/03/966171703.db2.gz CHVATKAWSABRDR-UHFFFAOYSA-N 1 2 223.320 1.985 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001123587369 966223519 /nfs/dbraw/zinc/22/35/19/966223519.db2.gz AAIKDQQRNDGABO-LLVKDONJSA-N 1 2 237.347 1.856 20 0 BDADLO CCCc1cc(N2CCNC(=O)[C@H]2C)nc(C)[nH+]1 ZINC001166559203 966302188 /nfs/dbraw/zinc/30/21/88/966302188.db2.gz DDZHIKODMIGIRN-SECBINFHSA-N 1 2 248.330 1.062 20 0 BDADLO NC(=O)Cc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236312854 966361300 /nfs/dbraw/zinc/36/13/00/966361300.db2.gz ABVWFPWFBSQKFP-UHFFFAOYSA-N 1 2 227.267 1.359 20 0 BDADLO Cc1cc[nH+]c(C)c1N[C@H]1CCN(C)C1=O ZINC001166686234 966364857 /nfs/dbraw/zinc/36/48/57/966364857.db2.gz OPAVHLMOXBDZMZ-JTQLQIEISA-N 1 2 219.288 1.341 20 0 BDADLO CC(=O)N(C)C1CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001166731541 966379869 /nfs/dbraw/zinc/37/98/69/966379869.db2.gz XJECSMJMFXJVOG-UHFFFAOYSA-N 1 2 248.330 1.069 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCC[C@@H](C(N)=O)C1 ZINC001166932642 966446338 /nfs/dbraw/zinc/44/63/38/966446338.db2.gz LOKXPGBUYWUMEK-SNVBAGLBSA-N 1 2 249.314 1.100 20 0 BDADLO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353383365 966458883 /nfs/dbraw/zinc/45/88/83/966458883.db2.gz FHORVSUGERXYIU-ZYHUDNBSSA-N 1 2 245.330 1.662 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)o1 ZINC001236588755 966474010 /nfs/dbraw/zinc/47/40/10/966474010.db2.gz BIGRCAFGCNWNIK-GHMZBOCLSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)o1 ZINC001236588755 966474004 /nfs/dbraw/zinc/47/40/04/966474004.db2.gz BIGRCAFGCNWNIK-GHMZBOCLSA-N 1 2 242.294 1.444 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1)C1COC1 ZINC001236706439 966516608 /nfs/dbraw/zinc/51/66/08/966516608.db2.gz XFYNAHXNYRJWEV-UHFFFAOYSA-N 1 2 211.236 1.362 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1)C1COC1 ZINC001236706439 966516618 /nfs/dbraw/zinc/51/66/18/966516618.db2.gz XFYNAHXNYRJWEV-UHFFFAOYSA-N 1 2 211.236 1.362 20 0 BDADLO c1nc2ccccn2c1C[N@@H+]1CCCC12COC2 ZINC001203154186 966536329 /nfs/dbraw/zinc/53/63/29/966536329.db2.gz VZJNIUOWXXSBDX-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1nc2ccccn2c1C[N@H+]1CCCC12COC2 ZINC001203154186 966536337 /nfs/dbraw/zinc/53/63/37/966536337.db2.gz VZJNIUOWXXSBDX-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CCCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC001203205565 966548210 /nfs/dbraw/zinc/54/82/10/966548210.db2.gz GBQNTSWOIFHTTP-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CCCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC001203205565 966548220 /nfs/dbraw/zinc/54/82/20/966548220.db2.gz GBQNTSWOIFHTTP-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CCc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)on1 ZINC001203228465 966569928 /nfs/dbraw/zinc/56/99/28/966569928.db2.gz PSDLQABZOXCEEW-ZDUSSCGKSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1cc(C[N@H+]2CCOC[C@H]2C2CC2)on1 ZINC001203228465 966569934 /nfs/dbraw/zinc/56/99/34/966569934.db2.gz PSDLQABZOXCEEW-ZDUSSCGKSA-N 1 2 236.315 1.848 20 0 BDADLO CNc1ccc(Nc2ncccc2CCO)c[nH+]1 ZINC001203454330 966652772 /nfs/dbraw/zinc/65/27/72/966652772.db2.gz BLPXMSQOASJMEC-UHFFFAOYSA-N 1 2 244.298 1.797 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnccc2C(N)=O)c1 ZINC001203656382 966720147 /nfs/dbraw/zinc/72/01/47/966720147.db2.gz PLQSPCQWWQCMTC-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1cc(NC(=O)c2cc(F)ncc2C)cc[nH+]1 ZINC001127730965 966774031 /nfs/dbraw/zinc/77/40/31/966774031.db2.gz YRJWKARRFPTRDD-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CCN(Cc1cccc(F)c1)C1C[NH+](C)C1 ZINC001203787780 966777684 /nfs/dbraw/zinc/77/76/84/966777684.db2.gz DOHUPAXPSIILQF-UHFFFAOYSA-N 1 2 222.307 1.962 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccc(F)c2)C1 ZINC001203786879 966781155 /nfs/dbraw/zinc/78/11/55/966781155.db2.gz QXGNNRVHGVKJOM-UHFFFAOYSA-N 1 2 237.274 1.821 20 0 BDADLO Oc1cccc(C[NH+]2CC(N3CC(F)C3)C2)c1 ZINC001203858026 966798687 /nfs/dbraw/zinc/79/86/87/966798687.db2.gz FWDIVPIJJBYTQD-UHFFFAOYSA-N 1 2 236.290 1.230 20 0 BDADLO CC[N@H+](Cc1cccc(O)c1)[C@@H](C)C(=O)OC ZINC001203866393 966803485 /nfs/dbraw/zinc/80/34/85/966803485.db2.gz PWJNFZNPGTWTQH-JTQLQIEISA-N 1 2 237.299 1.776 20 0 BDADLO Oc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001203865518 966803577 /nfs/dbraw/zinc/80/35/77/966803577.db2.gz BKWLPCXBICKJNL-DGCLKSJQSA-N 1 2 219.284 1.755 20 0 BDADLO Oc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001203865518 966803579 /nfs/dbraw/zinc/80/35/79/966803579.db2.gz BKWLPCXBICKJNL-DGCLKSJQSA-N 1 2 219.284 1.755 20 0 BDADLO Cc1cccc(C[NH+]2CC3(CCO3)C2)c1 ZINC001203895229 966812420 /nfs/dbraw/zinc/81/24/20/966812420.db2.gz QGZFFWSJQYMWDW-UHFFFAOYSA-N 1 2 203.285 1.970 20 0 BDADLO CC(=O)Oc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001203951939 966826836 /nfs/dbraw/zinc/82/68/36/966826836.db2.gz OEWPZZSCUMFDBM-OKILXGFUSA-N 1 2 247.294 1.585 20 0 BDADLO CC(=O)Oc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001203951939 966826838 /nfs/dbraw/zinc/82/68/38/966826838.db2.gz OEWPZZSCUMFDBM-OKILXGFUSA-N 1 2 247.294 1.585 20 0 BDADLO Cc1cccc(C[N@@H+]2CCOC3(CC3)C2)n1 ZINC001204070414 966881027 /nfs/dbraw/zinc/88/10/27/966881027.db2.gz INUPCCILIHJITG-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cccc(C[N@H+]2CCOC3(CC3)C2)n1 ZINC001204070414 966881030 /nfs/dbraw/zinc/88/10/30/966881030.db2.gz INUPCCILIHJITG-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO O=C1CCC[N@H+](Cc2cccnc2)CC1 ZINC001204075053 966882754 /nfs/dbraw/zinc/88/27/54/966882754.db2.gz WWDUYUPYZLRHLP-UHFFFAOYSA-N 1 2 204.273 1.637 20 0 BDADLO O=C1CCC[N@@H+](Cc2cccnc2)CC1 ZINC001204075053 966882759 /nfs/dbraw/zinc/88/27/59/966882759.db2.gz WWDUYUPYZLRHLP-UHFFFAOYSA-N 1 2 204.273 1.637 20 0 BDADLO Cc1c[nH+]c(Nc2ccc(CO)nc2)c(N)c1 ZINC001212370236 966929534 /nfs/dbraw/zinc/92/95/34/966929534.db2.gz QGLBUHDYPGXJNQ-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO FC1(F)C[C@H]2C[N@H+](Cc3ccoc3)CCN2C1 ZINC001204244291 966944211 /nfs/dbraw/zinc/94/42/11/966944211.db2.gz WKHMHHFNMKJYAW-NSHDSACASA-N 1 2 242.269 1.805 20 0 BDADLO FC1(F)C[C@H]2C[N@@H+](Cc3ccoc3)CCN2C1 ZINC001204244291 966944218 /nfs/dbraw/zinc/94/42/18/966944218.db2.gz WKHMHHFNMKJYAW-NSHDSACASA-N 1 2 242.269 1.805 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)n1 ZINC001204374615 966979152 /nfs/dbraw/zinc/97/91/52/966979152.db2.gz MZAQEEBSOSEICU-DTWKUNHWSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@H](F)[C@H](O)C2)n1 ZINC001204374615 966979160 /nfs/dbraw/zinc/97/91/60/966979160.db2.gz MZAQEEBSOSEICU-DTWKUNHWSA-N 1 2 230.308 1.356 20 0 BDADLO Nc1ccc2cnn(-c3ccc[nH+]c3N)c2c1 ZINC001212398472 967037799 /nfs/dbraw/zinc/03/77/99/967037799.db2.gz WIUUPVQEHZMUDD-UHFFFAOYSA-N 1 2 225.255 1.585 20 0 BDADLO COc1ncc(-c2ccc[nH+]c2N)cc1N ZINC001239636903 967055179 /nfs/dbraw/zinc/05/51/79/967055179.db2.gz NQLSVPLEAFFASK-UHFFFAOYSA-N 1 2 216.244 1.317 20 0 BDADLO Cc1cc(Nc2c[nH+]c(N)c(C)c2)cc(=O)o1 ZINC001249785739 967066202 /nfs/dbraw/zinc/06/62/02/967066202.db2.gz AYAABUHJTGULLJ-UHFFFAOYSA-N 1 2 231.255 1.977 20 0 BDADLO Cc1[nH+]c[nH]c1CN1C[C@@H](F)[C@H](F)C1 ZINC001204588238 967082794 /nfs/dbraw/zinc/08/27/94/967082794.db2.gz WNMOIKMBMKAWDM-HTQZYQBOSA-N 1 2 201.220 1.210 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]c[nH+]c2C)n(C)n1 ZINC001204588951 967082946 /nfs/dbraw/zinc/08/29/46/967082946.db2.gz PYCXZGVVZMMVEC-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001204593337 967092952 /nfs/dbraw/zinc/09/29/52/967092952.db2.gz WJWWSHTWQGQBSM-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001204593337 967092963 /nfs/dbraw/zinc/09/29/63/967092963.db2.gz WJWWSHTWQGQBSM-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001204603623 967098220 /nfs/dbraw/zinc/09/82/20/967098220.db2.gz SKJCTAHWXXEDBM-NXEZZACHSA-N 1 2 207.277 1.081 20 0 BDADLO COCc1cc(C[N@@H+]2CCCO[C@H](C)C2)no1 ZINC001204749624 967144174 /nfs/dbraw/zinc/14/41/74/967144174.db2.gz CURDWJJXEAQASG-SNVBAGLBSA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCCO[C@H](C)C2)no1 ZINC001204749624 967144184 /nfs/dbraw/zinc/14/41/84/967144184.db2.gz CURDWJJXEAQASG-SNVBAGLBSA-N 1 2 240.303 1.432 20 0 BDADLO COCCc1c[nH+]c(N)cc1C(F)(F)F ZINC001249938908 967179032 /nfs/dbraw/zinc/17/90/32/967179032.db2.gz MSRKPWGLPYDCCK-UHFFFAOYSA-N 1 2 220.194 1.872 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1NC ZINC001204789659 967170009 /nfs/dbraw/zinc/17/00/09/967170009.db2.gz DGEWATXHIWGTMX-CYBMUJFWSA-N 1 2 247.342 1.439 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1NC ZINC001204789659 967170019 /nfs/dbraw/zinc/17/00/19/967170019.db2.gz DGEWATXHIWGTMX-CYBMUJFWSA-N 1 2 247.342 1.439 20 0 BDADLO COc1ncc(-c2c[nH+]c(N(C)C)cc2C)cn1 ZINC001239847094 967229511 /nfs/dbraw/zinc/22/95/11/967229511.db2.gz YDJZSNRFXRGSEZ-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000721924834 967241420 /nfs/dbraw/zinc/24/14/20/967241420.db2.gz XULKFNLSSRGSGN-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000721924834 967241433 /nfs/dbraw/zinc/24/14/33/967241433.db2.gz XULKFNLSSRGSGN-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO Nc1c2c(nn1-c1ccn3cc[nH+]c3c1)CCC2 ZINC001204950935 967249757 /nfs/dbraw/zinc/24/97/57/967249757.db2.gz IIJPBDDMJXMETC-UHFFFAOYSA-N 1 2 239.282 1.591 20 0 BDADLO N=c1ccc(F)c(N)n1-c1ccn2cc[nH+]c2c1 ZINC001204958676 967253880 /nfs/dbraw/zinc/25/38/80/967253880.db2.gz AJGCTSRLURWNNQ-UHFFFAOYSA-N 1 2 243.245 1.326 20 0 BDADLO C[NH+]1CC(OCCOc2ccccc2)C1 ZINC001204958249 967257569 /nfs/dbraw/zinc/25/75/69/967257569.db2.gz HKCMSAJNDSQSNF-UHFFFAOYSA-N 1 2 207.273 1.396 20 0 BDADLO Nc1cnc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204959671 967261798 /nfs/dbraw/zinc/26/17/98/967261798.db2.gz SWMLUGUMIIOUSQ-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO CCOc1cc(C[N@@H+]2CCCC23COC3)ccn1 ZINC001250009097 967269436 /nfs/dbraw/zinc/26/94/36/967269436.db2.gz COTKGUHTTJVUJX-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1cc(C[N@H+]2CCCC23COC3)ccn1 ZINC001250009097 967269439 /nfs/dbraw/zinc/26/94/39/967269439.db2.gz COTKGUHTTJVUJX-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO c1c[nH+]c(N2CCOCC2)c(C2CC2)c1 ZINC001250035004 967288533 /nfs/dbraw/zinc/28/85/33/967288533.db2.gz RYZOHKQYYUOSJG-UHFFFAOYSA-N 1 2 204.273 1.796 20 0 BDADLO Cc1nc(NC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001108048237 967424903 /nfs/dbraw/zinc/42/49/03/967424903.db2.gz VBZRWKBWEBTBIV-FXPVBKGRSA-N 1 2 248.330 1.358 20 0 BDADLO c1cn2cc(-c3cn4ncnc4cn3)ccc2[nH+]1 ZINC001240219753 967430483 /nfs/dbraw/zinc/43/04/83/967430483.db2.gz URBXMATULRTZAI-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO Fc1ccc(CC[NH+]2CCOCC2)c(F)c1 ZINC001250275165 967599479 /nfs/dbraw/zinc/59/94/79/967599479.db2.gz ZJRQXEVPKCHWHD-UHFFFAOYSA-N 1 2 227.254 1.840 20 0 BDADLO c1nc2cccc(CC[NH+]3CCOCC3)c2[nH]1 ZINC001250277024 967609269 /nfs/dbraw/zinc/60/92/69/967609269.db2.gz WKTWSDCDGLFPMF-UHFFFAOYSA-N 1 2 231.299 1.438 20 0 BDADLO Nc1cc(CCn2cc[nH+]c2)ccc1F ZINC001250319528 967693556 /nfs/dbraw/zinc/69/35/56/967693556.db2.gz UFHOJSVOYSRXSV-UHFFFAOYSA-N 1 2 205.236 1.847 20 0 BDADLO Cc1noc(Cc2c[nH+]c(C)cc2C)n1 ZINC001250357778 967763256 /nfs/dbraw/zinc/76/32/56/967763256.db2.gz NMBXNQWRQLBGRD-UHFFFAOYSA-N 1 2 203.245 1.981 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186952126 967764567 /nfs/dbraw/zinc/76/45/67/967764567.db2.gz RRDSWNLLRWMMRY-UHFFFAOYSA-N 1 2 243.347 1.424 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccncc2C)C[C@@H]1F ZINC001205828449 967843339 /nfs/dbraw/zinc/84/33/39/967843339.db2.gz XCDVRNIDPGWZLV-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccncc2C)C[C@@H]1F ZINC001205828449 967843350 /nfs/dbraw/zinc/84/33/50/967843350.db2.gz XCDVRNIDPGWZLV-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1ncc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001205875872 967868095 /nfs/dbraw/zinc/86/80/95/967868095.db2.gz VEFAZBXHDXDVLC-UHFFFAOYSA-N 1 2 226.283 1.848 20 0 BDADLO Cc1nc(NC[C@@H](C)NC(=O)C2(C)CC2)cc[nH+]1 ZINC001108161341 967879083 /nfs/dbraw/zinc/87/90/83/967879083.db2.gz KBZGCGQGLZDWKL-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO COc1ncncc1NC(=[NH2+])C(C)(C)C ZINC001162664885 967883945 /nfs/dbraw/zinc/88/39/45/967883945.db2.gz UXEBTAUMSXOMHY-UHFFFAOYSA-N 1 2 208.265 1.920 20 0 BDADLO CC[C@H](CO)Nc1nc(C)[nH+]c2c1CCC2 ZINC001163045807 967982940 /nfs/dbraw/zinc/98/29/40/967982940.db2.gz ZFZUWKNIVRRSCX-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1cc[nH+]c(Nc2ccn(C)c(=O)c2)c1 ZINC001206070377 968038333 /nfs/dbraw/zinc/03/83/33/968038333.db2.gz FMCWPVDKWKVVTN-UHFFFAOYSA-N 1 2 215.256 1.832 20 0 BDADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1C/C(Cl)=C/Cl ZINC000698159530 968054338 /nfs/dbraw/zinc/05/43/38/968054338.db2.gz MSHVEZLRWMFEIJ-ALCBPQMDSA-N 1 2 240.130 1.123 20 0 BDADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1C/C(Cl)=C/Cl ZINC000698159530 968054344 /nfs/dbraw/zinc/05/43/44/968054344.db2.gz MSHVEZLRWMFEIJ-ALCBPQMDSA-N 1 2 240.130 1.123 20 0 BDADLO C[C@@H](CCO)Nc1ccn2cc(N)[nH+]c2c1 ZINC001165905747 968301030 /nfs/dbraw/zinc/30/10/30/968301030.db2.gz QRYAEELSRLPBRD-QMMMGPOBSA-N 1 2 220.276 1.099 20 0 BDADLO C[C@@H](CCO)Nc1ccc2[nH+]cn(C)c2c1 ZINC001165905781 968302299 /nfs/dbraw/zinc/30/22/99/968302299.db2.gz QZVLAPOARJALTQ-VIFPVBQESA-N 1 2 219.288 1.756 20 0 BDADLO CC[C@@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001251750938 968312026 /nfs/dbraw/zinc/31/20/26/968312026.db2.gz DLWABCHTGPMTQW-SNVBAGLBSA-N 1 2 219.288 1.826 20 0 BDADLO O=C(N1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727840427 968317886 /nfs/dbraw/zinc/31/78/86/968317886.db2.gz CVNMAEVJOFCMFR-NSHDSACASA-N 1 2 248.330 1.805 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)cnc1C ZINC001119316641 968328062 /nfs/dbraw/zinc/32/80/62/968328062.db2.gz ABCHPHKVVFNMKP-JTQLQIEISA-N 1 2 237.328 1.299 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@H](O)CC)C(=O)OC ZINC001251819543 968356090 /nfs/dbraw/zinc/35/60/90/968356090.db2.gz UDQTZKJFPVJQKT-MNOVXSKESA-N 1 2 231.336 1.469 20 0 BDADLO C[C@H](O)C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001251961306 968397322 /nfs/dbraw/zinc/39/73/22/968397322.db2.gz FGVKRMQRBQRLHG-QMMMGPOBSA-N 1 2 243.253 1.409 20 0 BDADLO COC(=[NH2+])c1cccc(-c2cnn(CCO)c2)c1 ZINC001206581710 968400239 /nfs/dbraw/zinc/40/02/39/968400239.db2.gz UDJYZPDHWAMMHE-UHFFFAOYSA-N 1 2 245.282 1.514 20 0 BDADLO C[C@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001251964038 968404057 /nfs/dbraw/zinc/40/40/57/968404057.db2.gz ADRDQNCFLVLPKT-JTQLQIEISA-N 1 2 217.272 1.665 20 0 BDADLO CC(C)C[C@H]([NH2+]C[C@H](C)O)C(=O)OC(C)(C)C ZINC001251969721 968410760 /nfs/dbraw/zinc/41/07/60/968410760.db2.gz KSKQELVXNVYKCT-QWRGUYRKSA-N 1 2 245.363 1.713 20 0 BDADLO CCCC[C@](CC)([NH2+]C[C@H](C)O)C(=O)OCC ZINC001251971836 968410807 /nfs/dbraw/zinc/41/08/07/968410807.db2.gz QXIMIBZWLKTLAR-AAEUAGOBSA-N 1 2 245.363 1.859 20 0 BDADLO CCc1cncnc1OC1C[NH+](C(C)C)C1 ZINC001230032722 968448277 /nfs/dbraw/zinc/44/82/77/968448277.db2.gz NEHPDWDZQYJWHU-UHFFFAOYSA-N 1 2 221.304 1.510 20 0 BDADLO CCOC[C@@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252035779 968452322 /nfs/dbraw/zinc/45/23/22/968452322.db2.gz BQKRMGLRAVNBMT-NSHDSACASA-N 1 2 249.314 1.383 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2csc(C)n2)C1 ZINC001206805820 968484222 /nfs/dbraw/zinc/48/42/22/968484222.db2.gz OMWWHRWCUCJDGV-QMMMGPOBSA-N 1 2 226.345 1.918 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)no1 ZINC001206816004 968489845 /nfs/dbraw/zinc/48/98/45/968489845.db2.gz ZGJPEYXIELMBLB-AAEUAGOBSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)no1 ZINC001206816004 968489847 /nfs/dbraw/zinc/48/98/47/968489847.db2.gz ZGJPEYXIELMBLB-AAEUAGOBSA-N 1 2 236.315 1.984 20 0 BDADLO [NH3+][C@@]1(c2nc(-c3ccc(F)cc3)no2)CCOC1 ZINC000085850746 968506232 /nfs/dbraw/zinc/50/62/32/968506232.db2.gz CFXQTVYJYAJKFS-LBPRGKRZSA-N 1 2 249.245 1.450 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CO[C@H](C)C2)[nH+]c1C ZINC000822506118 968523084 /nfs/dbraw/zinc/52/30/84/968523084.db2.gz KCLLQWZZKNXKET-XCBNKYQSSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CO[C@H](C)C2)[nH+]c1C ZINC000822506112 968523156 /nfs/dbraw/zinc/52/31/56/968523156.db2.gz KCLLQWZZKNXKET-GMSGAONNSA-N 1 2 237.303 1.068 20 0 BDADLO O[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1F ZINC001207017028 968536457 /nfs/dbraw/zinc/53/64/57/968536457.db2.gz NBRFXIWOMBJKDT-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1F ZINC001207017028 968536462 /nfs/dbraw/zinc/53/64/62/968536462.db2.gz NBRFXIWOMBJKDT-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO O=C1OCCC12CC[NH+](Cc1ncccn1)CC2 ZINC001207017043 968552621 /nfs/dbraw/zinc/55/26/21/968552621.db2.gz LOEWZEHQXXPTBU-UHFFFAOYSA-N 1 2 247.298 1.006 20 0 BDADLO O[C@H]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207047900 968577065 /nfs/dbraw/zinc/57/70/65/968577065.db2.gz DMKKNTKVFNAIIN-ZDUSSCGKSA-N 1 2 245.326 1.681 20 0 BDADLO COC[C@H]1CCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207049305 968579063 /nfs/dbraw/zinc/57/90/63/968579063.db2.gz RSOKPVLRRCQXIS-LBPRGKRZSA-N 1 2 245.326 1.803 20 0 BDADLO c1[nH+]c(CN2CCCC2)n2ccccc12 ZINC001207048555 968579163 /nfs/dbraw/zinc/57/91/63/968579163.db2.gz VCNIDKQIKDDGKT-UHFFFAOYSA-N 1 2 201.273 1.930 20 0 BDADLO COC[C@@H]1CCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207049303 968582127 /nfs/dbraw/zinc/58/21/27/968582127.db2.gz RSOKPVLRRCQXIS-GFCCVEGCSA-N 1 2 245.326 1.803 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)s1 ZINC001207058774 968589975 /nfs/dbraw/zinc/58/99/75/968589975.db2.gz LMDQJJUYQKITFX-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)s1 ZINC001207058774 968589980 /nfs/dbraw/zinc/58/99/80/968589980.db2.gz LMDQJJUYQKITFX-UWVGGRQHSA-N 1 2 244.335 1.604 20 0 BDADLO COC(=O)CC1C[NH+](Cc2cnc(C)s2)C1 ZINC001207061155 968591955 /nfs/dbraw/zinc/59/19/55/968591955.db2.gz DVMLZSQSOYZECB-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1cccc(=O)[nH]1 ZINC001207075131 968611610 /nfs/dbraw/zinc/61/16/10/968611610.db2.gz WXPXPSHTNRMHOX-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1cccc(=O)[nH]1 ZINC001207075131 968611616 /nfs/dbraw/zinc/61/16/16/968611616.db2.gz WXPXPSHTNRMHOX-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ncc(F)cc1F ZINC001207093368 968625023 /nfs/dbraw/zinc/62/50/23/968625023.db2.gz LYFKIHMWBXNEIG-SCZZXKLOSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ncc(F)cc1F ZINC001207093368 968625025 /nfs/dbraw/zinc/62/50/25/968625025.db2.gz LYFKIHMWBXNEIG-SCZZXKLOSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(F)cc1F ZINC001207092477 968625233 /nfs/dbraw/zinc/62/52/33/968625233.db2.gz CVOBWWDSJJHCQV-VXNVDRBHSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncc(F)cc1F ZINC001207092477 968625234 /nfs/dbraw/zinc/62/52/34/968625234.db2.gz CVOBWWDSJJHCQV-VXNVDRBHSA-N 1 2 228.242 1.315 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOC2(CC2)C1 ZINC001207139538 968653272 /nfs/dbraw/zinc/65/32/72/968653272.db2.gz VPNPHYWJQGRNLO-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOC2(CC2)C1 ZINC001207139538 968653281 /nfs/dbraw/zinc/65/32/81/968653281.db2.gz VPNPHYWJQGRNLO-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccnc2C)C1 ZINC001207151678 968661641 /nfs/dbraw/zinc/66/16/41/968661641.db2.gz ZTROAONDRBTBKQ-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccnc2C)C[C@@H]1C ZINC001207154514 968665033 /nfs/dbraw/zinc/66/50/33/968665033.db2.gz UCWLBTMFXYSANR-NSHDSACASA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccnc2C)C[C@@H]1C ZINC001207154514 968665042 /nfs/dbraw/zinc/66/50/42/968665042.db2.gz UCWLBTMFXYSANR-NSHDSACASA-N 1 2 247.342 1.443 20 0 BDADLO Cc1nccc(C[NH+]2CC3(CSC3)C2)n1 ZINC001207168682 968674454 /nfs/dbraw/zinc/67/44/54/968674454.db2.gz JXBREVCJSRDLRP-UHFFFAOYSA-N 1 2 221.329 1.334 20 0 BDADLO CC(C)n1nccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001207170313 968678227 /nfs/dbraw/zinc/67/82/27/968678227.db2.gz XRIOZXFBFJRUQA-UHFFFAOYSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)S(=O)(=O)Nc1ccn2cc[nH+]c2c1 ZINC001252438319 968689476 /nfs/dbraw/zinc/68/94/76/968689476.db2.gz DJPGIARAAZUURM-UHFFFAOYSA-N 1 2 239.300 1.484 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccns1 ZINC001085447589 968717320 /nfs/dbraw/zinc/71/73/20/968717320.db2.gz FSOFASXVIZKZRL-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO COc1ccc(CC[NH+]2CC(OC(C)=O)C2)cc1 ZINC001207476568 968791720 /nfs/dbraw/zinc/79/17/20/968791720.db2.gz YICQGOCEJAIUFW-UHFFFAOYSA-N 1 2 249.310 1.485 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(CO)cs2)CCO1 ZINC001207623610 968841313 /nfs/dbraw/zinc/84/13/13/968841313.db2.gz WLKPDIBCVUYZLO-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(CO)cs2)CCO1 ZINC001207623610 968841315 /nfs/dbraw/zinc/84/13/15/968841315.db2.gz WLKPDIBCVUYZLO-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO Nc1ccc[nH+]c1NCCN1CCCCO1 ZINC001154997634 968847581 /nfs/dbraw/zinc/84/75/81/968847581.db2.gz MVIWQSDOYOBUGI-UHFFFAOYSA-N 1 2 222.292 1.103 20 0 BDADLO O=C1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1F ZINC001207630798 968850058 /nfs/dbraw/zinc/85/00/58/968850058.db2.gz YNFRPHUNMINJSJ-IRCOFANPSA-N 1 2 223.291 1.812 20 0 BDADLO Cc1[nH+]c2ccc(F)cn2c1NS(C)(=O)=O ZINC001252650394 968892177 /nfs/dbraw/zinc/89/21/77/968892177.db2.gz KEIPNAZVTCRAFY-UHFFFAOYSA-N 1 2 243.263 1.153 20 0 BDADLO CC(=O)OC1C[NH+](CC2(c3ccccc3)CC2)C1 ZINC001207838011 968896778 /nfs/dbraw/zinc/89/67/78/968896778.db2.gz BPNYPAIBJRKZAZ-UHFFFAOYSA-N 1 2 245.322 1.966 20 0 BDADLO CC(C)OC[C@H](O)CNc1cccc[nH+]1 ZINC001252665849 968897282 /nfs/dbraw/zinc/89/72/82/968897282.db2.gz YGPHPUVBRJVINZ-SNVBAGLBSA-N 1 2 210.277 1.279 20 0 BDADLO CCCOC1C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC001207928822 968928751 /nfs/dbraw/zinc/92/87/51/968928751.db2.gz ZGKFZJGBYLFGAP-NSHDSACASA-N 1 2 229.320 1.249 20 0 BDADLO CCC[C@H](O)CNc1c[nH+]ccc1OC ZINC001252774164 968942444 /nfs/dbraw/zinc/94/24/44/968942444.db2.gz HRWDRRPECXZCJA-VIFPVBQESA-N 1 2 210.277 1.663 20 0 BDADLO Cc1nc2c(o1)CC[N@H+](CCCn1cccn1)C2 ZINC001208086022 968993452 /nfs/dbraw/zinc/99/34/52/968993452.db2.gz BNLVEKWUJHVSSR-UHFFFAOYSA-N 1 2 246.314 1.628 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+](CCCn1cccn1)C2 ZINC001208086022 968993460 /nfs/dbraw/zinc/99/34/60/968993460.db2.gz BNLVEKWUJHVSSR-UHFFFAOYSA-N 1 2 246.314 1.628 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@@H](O)CCC)C(=O)OC ZINC001252809467 968999673 /nfs/dbraw/zinc/99/96/73/968999673.db2.gz IAWZJXDGRKLTBA-RYUDHWBXSA-N 1 2 245.363 1.859 20 0 BDADLO C[C@](O)(CNc1cc[nH+]nc1)c1ccccc1 ZINC001253090583 969074992 /nfs/dbraw/zinc/07/49/92/969074992.db2.gz IPQBDAFQUBUCAI-ZDUSSCGKSA-N 1 2 229.283 1.796 20 0 BDADLO CC1=NNC(=c2ccnc3c2=CC=[NH+]3)O1 ZINC001253416394 969167565 /nfs/dbraw/zinc/16/75/65/969167565.db2.gz WVNMXJWSLMAUHE-MRVPVSSYSA-N 1 2 200.201 1.398 20 0 BDADLO CCCOC1C[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC001253453347 969180162 /nfs/dbraw/zinc/18/01/62/969180162.db2.gz DJXGDMBTSCCVDY-LLVKDONJSA-N 1 2 245.363 1.273 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cnc2cccnc2n1 ZINC001242071060 969196274 /nfs/dbraw/zinc/19/62/74/969196274.db2.gz RJMMRSVWUACBCZ-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO COc1c[nH+]c(NC[C@H]2CCC(=O)N2)c(C)c1 ZINC001156143431 969197693 /nfs/dbraw/zinc/19/76/93/969197693.db2.gz AADWRFPTYRXIRP-SECBINFHSA-N 1 2 235.287 1.089 20 0 BDADLO Cc1cc(NCCn2cnnc2)ccc1[NH+](C)C ZINC001168876477 969255797 /nfs/dbraw/zinc/25/57/97/969255797.db2.gz OGZYFFQANUZFFN-UHFFFAOYSA-N 1 2 245.330 1.765 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H](C)C(F)(F)F)C[C@@H]1F ZINC001208887841 969277384 /nfs/dbraw/zinc/27/73/84/969277384.db2.gz PRYFBQKXPDXKKY-FXQIFTODSA-N 1 2 229.217 1.854 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H](C)C(F)(F)F)C[C@@H]1F ZINC001208887841 969277391 /nfs/dbraw/zinc/27/73/91/969277391.db2.gz PRYFBQKXPDXKKY-FXQIFTODSA-N 1 2 229.217 1.854 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001253721738 969347378 /nfs/dbraw/zinc/34/73/78/969347378.db2.gz HKEMXINSRHTJMN-ONGXEEELSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001253721738 969347383 /nfs/dbraw/zinc/34/73/83/969347383.db2.gz HKEMXINSRHTJMN-ONGXEEELSA-N 1 2 231.311 1.396 20 0 BDADLO CCCCS(=O)(=O)Nc1c(C)[nH+]cn1C ZINC001253786809 969407000 /nfs/dbraw/zinc/40/70/00/969407000.db2.gz LCEJJPCSFQAZNM-UHFFFAOYSA-N 1 2 231.321 1.270 20 0 BDADLO CC[C@H](C)[C@H](Nc1cccc[nH+]1)C(N)=O ZINC001169147205 969464556 /nfs/dbraw/zinc/46/45/56/969464556.db2.gz PVILJDSFPNVRJP-WPRPVWTQSA-N 1 2 207.277 1.394 20 0 BDADLO CN(Cc1nnc(C2CC2)o1)c1cccc[nH+]1 ZINC001254065417 969469249 /nfs/dbraw/zinc/46/92/49/969469249.db2.gz WMTLDAGIEXXHQY-UHFFFAOYSA-N 1 2 230.271 1.978 20 0 BDADLO C[NH+](C)Cc1cn(C[C@@H](O)c2ccccc2)nn1 ZINC001254119384 969505693 /nfs/dbraw/zinc/50/56/93/969505693.db2.gz RGCDDZIJZANBQC-CYBMUJFWSA-N 1 2 246.314 1.073 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001209514717 969531301 /nfs/dbraw/zinc/53/13/01/969531301.db2.gz ODIIFBDDQLSPHI-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001209514717 969531311 /nfs/dbraw/zinc/53/13/11/969531311.db2.gz ODIIFBDDQLSPHI-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C[N@H+](Cc2c3ccccc3nn2C)CCO1 ZINC001209533905 969533256 /nfs/dbraw/zinc/53/32/56/969533256.db2.gz FBDQBRPMEMFYLI-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c3ccccc3nn2C)CCO1 ZINC001209533905 969533264 /nfs/dbraw/zinc/53/32/64/969533264.db2.gz FBDQBRPMEMFYLI-NSHDSACASA-N 1 2 245.326 1.794 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCC[C@H]1CO ZINC001209553231 969539775 /nfs/dbraw/zinc/53/97/75/969539775.db2.gz RDMCYLNPRGJFMB-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCC[C@H]1CO ZINC001209553231 969539784 /nfs/dbraw/zinc/53/97/84/969539784.db2.gz RDMCYLNPRGJFMB-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC(=O)CC2)[nH]1 ZINC001209571707 969554846 /nfs/dbraw/zinc/55/48/46/969554846.db2.gz KKCRQZVTXYQPRT-UHFFFAOYSA-N 1 2 206.289 1.878 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC(=O)CC2)[nH]1 ZINC001209571707 969554852 /nfs/dbraw/zinc/55/48/52/969554852.db2.gz KKCRQZVTXYQPRT-UHFFFAOYSA-N 1 2 206.289 1.878 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CCCOC1)[C@@H](C)CC ZINC001254369829 969581211 /nfs/dbraw/zinc/58/12/11/969581211.db2.gz KJBRVDHVAJGKJZ-SDDRHHMPSA-N 1 2 243.347 1.733 20 0 BDADLO O[C@H](CNc1cc2cc[nH]c2c[nH+]1)C(F)(F)F ZINC001169456603 969645516 /nfs/dbraw/zinc/64/55/16/969645516.db2.gz JCZCGWHGRHWWFO-MRVPVSSYSA-N 1 2 245.204 1.898 20 0 BDADLO Cc1cc(F)ncc1NC[C@@H]1COCC[N@H+]1C ZINC001169652716 969799788 /nfs/dbraw/zinc/79/97/88/969799788.db2.gz BQNCCHJVDCDCBU-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(F)ncc1NC[C@@H]1COCC[N@@H+]1C ZINC001169652716 969799795 /nfs/dbraw/zinc/79/97/95/969799795.db2.gz BQNCCHJVDCDCBU-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(NC[C@H]2COCC[N@H+]2C)cc(F)n1 ZINC001169654059 969802304 /nfs/dbraw/zinc/80/23/04/969802304.db2.gz OEULONFCKSQBPJ-NSHDSACASA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)cc(F)n1 ZINC001169654059 969802307 /nfs/dbraw/zinc/80/23/07/969802307.db2.gz OEULONFCKSQBPJ-NSHDSACASA-N 1 2 239.294 1.272 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cncc(C2CC2)c1 ZINC001169657417 969803029 /nfs/dbraw/zinc/80/30/29/969803029.db2.gz QYGFGLROIBVTGX-CQSZACIVSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cncc(C2CC2)c1 ZINC001169657417 969803032 /nfs/dbraw/zinc/80/30/32/969803032.db2.gz QYGFGLROIBVTGX-CQSZACIVSA-N 1 2 247.342 1.702 20 0 BDADLO CC1(C)C[C@@H](OCC[NH+]2CCOCC2)CCO1 ZINC001210224696 969838100 /nfs/dbraw/zinc/83/81/00/969838100.db2.gz DOFUWHPSZHYAGC-LBPRGKRZSA-N 1 2 243.347 1.293 20 0 BDADLO F[C@@H]1CCCC[C@@H]1OCC[NH+]1CCOCC1 ZINC001210224950 969839344 /nfs/dbraw/zinc/83/93/44/969839344.db2.gz LLJKXQOVBSGLLP-NEPJUHHUSA-N 1 2 231.311 1.616 20 0 BDADLO COC(=O)C1([NH2+]C2CCSCC2)CCC1 ZINC001255080047 969873745 /nfs/dbraw/zinc/87/37/45/969873745.db2.gz AREXFTZFKRTHTH-UHFFFAOYSA-N 1 2 229.345 1.567 20 0 BDADLO CNC(=O)[C@H](C)Nc1ccc2[nH+]cn(C)c2c1 ZINC001169984222 969940133 /nfs/dbraw/zinc/94/01/33/969940133.db2.gz QJXDUIQHMSHJIK-QMMMGPOBSA-N 1 2 232.287 1.120 20 0 BDADLO COC(=O)CCN(C)c1cc(SC)cc[nH+]1 ZINC001156815527 970004834 /nfs/dbraw/zinc/00/48/34/970004834.db2.gz BBEXWNKFBBDEQD-UHFFFAOYSA-N 1 2 240.328 1.803 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCSC2)CCC1 ZINC001255267925 970018696 /nfs/dbraw/zinc/01/86/96/970018696.db2.gz UNLXOGRHYPLHEZ-QMMMGPOBSA-N 1 2 215.318 1.177 20 0 BDADLO CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109747210 970019181 /nfs/dbraw/zinc/01/91/81/970019181.db2.gz FQCOFKWXJIAWIW-NSHDSACASA-N 1 2 234.303 1.112 20 0 BDADLO COC(=O)C=Cc1cc(C)cnc1NC=[NH2+] ZINC001157078862 970081761 /nfs/dbraw/zinc/08/17/61/970081761.db2.gz QWUNURAMUBUAFF-ONEGZZNKSA-N 1 2 219.244 1.595 20 0 BDADLO CN1CCC[C@@H]([NH2+][C@@H]2NC(=O)c3ccccc32)C1 ZINC001255472567 970200658 /nfs/dbraw/zinc/20/06/58/970200658.db2.gz BQANPRSIUOIPIB-ZWNOBZJWSA-N 1 2 245.326 1.112 20 0 BDADLO C1C[C@H](c2nnc([C@@H]3CC4CC[NH+]3CC4)o2)CO1 ZINC001255496634 970259541 /nfs/dbraw/zinc/25/95/41/970259541.db2.gz VABLBQATQGNECY-QWRGUYRKSA-N 1 2 249.314 1.730 20 0 BDADLO Cc1noc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001255505532 970275281 /nfs/dbraw/zinc/27/52/81/970275281.db2.gz WTVRAMQOKCUAHZ-UHFFFAOYSA-N 1 2 245.286 1.100 20 0 BDADLO COC(=[NH2+])c1cccc(NCC(=O)CCO)c1 ZINC001170101153 970289920 /nfs/dbraw/zinc/28/99/20/970289920.db2.gz RFWCXTFJEDOSLJ-UHFFFAOYSA-N 1 2 236.271 1.022 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)C1(F)C[NH2+]C1 ZINC001157451046 970310733 /nfs/dbraw/zinc/31/07/33/970310733.db2.gz JTDMLVIILICBHV-DTORHVGOSA-N 1 2 214.284 1.087 20 0 BDADLO COC(OC)[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000301044411 970311305 /nfs/dbraw/zinc/31/13/05/970311305.db2.gz XPUNFXPTGNFFTJ-ZETCQYMHSA-N 1 2 247.726 1.171 20 0 BDADLO C[C@@H](c1nnc([C@H]2CCOC2)o1)[NH+](C)C ZINC001255556373 970332654 /nfs/dbraw/zinc/33/26/54/970332654.db2.gz PRMGLZMQOIAUJT-YUMQZZPRSA-N 1 2 211.265 1.196 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H](C)COC)CCCCC1 ZINC001255563035 970350224 /nfs/dbraw/zinc/35/02/24/970350224.db2.gz JFGIQKAILVFVQX-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO Cc1ccc(C[NH+]2CCN(C#N)CC2)s1 ZINC001204034489 970428141 /nfs/dbraw/zinc/42/81/41/970428141.db2.gz JSNUAXYCFDGKEY-UHFFFAOYSA-N 1 2 221.329 1.655 20 0 BDADLO CN(C)c1cc(NC2CSC2)[nH+]cn1 ZINC001157577192 970462144 /nfs/dbraw/zinc/46/21/44/970462144.db2.gz VMYJYZVCFWXURO-UHFFFAOYSA-N 1 2 210.306 1.070 20 0 BDADLO CN(C)c1cc(NC2CSC2)nc[nH+]1 ZINC001157577192 970462156 /nfs/dbraw/zinc/46/21/56/970462156.db2.gz VMYJYZVCFWXURO-UHFFFAOYSA-N 1 2 210.306 1.070 20 0 BDADLO CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001113780407 970530892 /nfs/dbraw/zinc/53/08/92/970530892.db2.gz UUIQFHBZQDOXRM-PJXYFTJBSA-N 1 2 249.314 1.021 20 0 BDADLO CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001113780407 970530905 /nfs/dbraw/zinc/53/09/05/970530905.db2.gz UUIQFHBZQDOXRM-PJXYFTJBSA-N 1 2 249.314 1.021 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cccnc1F ZINC000401648002 970716679 /nfs/dbraw/zinc/71/66/79/970716679.db2.gz DSYQQBDNYBRRGO-UHFFFAOYSA-N 1 2 234.234 1.446 20 0 BDADLO CC1(C)C[C@H]([NH2+][C@H]2CCCc3[nH]ncc32)CO1 ZINC000401700369 970723189 /nfs/dbraw/zinc/72/31/89/970723189.db2.gz ZBKIAAMFMNZEDL-ONGXEEELSA-N 1 2 235.331 1.944 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)[nH]n1 ZINC001256332476 970741756 /nfs/dbraw/zinc/74/17/56/970741756.db2.gz PXMSYBDWVKURMH-ZWNOBZJWSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)[nH]n1 ZINC001256332476 970741770 /nfs/dbraw/zinc/74/17/70/970741770.db2.gz PXMSYBDWVKURMH-ZWNOBZJWSA-N 1 2 235.331 1.717 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3[nH]ncc32)CO1 ZINC000402132137 970762135 /nfs/dbraw/zinc/76/21/35/970762135.db2.gz JQBZZWFAXJQMLA-FXPVBKGRSA-N 1 2 221.304 1.554 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1CCC12COC2 ZINC001144118783 972592219 /nfs/dbraw/zinc/59/22/19/972592219.db2.gz KPVBZEAOVYVFJD-UHFFFAOYSA-N 1 2 219.284 1.675 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1CCC12COC2 ZINC001144118783 972592232 /nfs/dbraw/zinc/59/22/32/972592232.db2.gz KPVBZEAOVYVFJD-UHFFFAOYSA-N 1 2 219.284 1.675 20 0 BDADLO CC1(C)C[N@H+](CC(=O)Nc2cnccn2)C1(C)C ZINC001327547247 972622640 /nfs/dbraw/zinc/62/26/40/972622640.db2.gz SGSQQTNSVDPQHK-UHFFFAOYSA-N 1 2 248.330 1.536 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)Nc2cnccn2)C1(C)C ZINC001327547247 972622647 /nfs/dbraw/zinc/62/26/47/972622647.db2.gz SGSQQTNSVDPQHK-UHFFFAOYSA-N 1 2 248.330 1.536 20 0 BDADLO CC(=O)O[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001144153257 972631119 /nfs/dbraw/zinc/63/11/19/972631119.db2.gz QTISEGROCDTPSZ-QMMMGPOBSA-N 1 2 247.254 1.224 20 0 BDADLO c1cc2ccc(C[NH+]3CCOCC3)nc2[nH]1 ZINC001144169328 972668724 /nfs/dbraw/zinc/66/87/24/972668724.db2.gz FXDBWQZPLRSNTA-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO C[N@H+](Cc1[nH]nc2ccc(F)cc21)C1(C)COC1 ZINC001144202522 972684373 /nfs/dbraw/zinc/68/43/73/972684373.db2.gz SVPWHNOZTDKDTI-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO C[N@@H+](Cc1[nH]nc2ccc(F)cc21)C1(C)COC1 ZINC001144202522 972684381 /nfs/dbraw/zinc/68/43/81/972684381.db2.gz SVPWHNOZTDKDTI-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO C[NH+]1CC(OCc2cn3ccccc3n2)C1 ZINC001222888937 972726286 /nfs/dbraw/zinc/72/62/86/972726286.db2.gz HASQNSHEQFPZJK-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2C[C@@]23CCOC3)o1 ZINC001327867276 972767530 /nfs/dbraw/zinc/76/75/30/972767530.db2.gz WQWXNQFQJVTPHB-GZMMTYOYSA-N 1 2 223.276 1.025 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2C[C@@]23CCOC3)o1 ZINC001327867280 972770266 /nfs/dbraw/zinc/77/02/66/972770266.db2.gz WQWXNQFQJVTPHB-LDYMZIIASA-N 1 2 223.276 1.025 20 0 BDADLO COCC[N@H+](Cc1nnc[nH]1)C1CCCC1 ZINC001327866430 972770737 /nfs/dbraw/zinc/77/07/37/972770737.db2.gz XKKLKBMHMLUJDM-UHFFFAOYSA-N 1 2 224.308 1.196 20 0 BDADLO COCC[N@@H+](Cc1nnc[nH]1)C1CCCC1 ZINC001327866430 972770752 /nfs/dbraw/zinc/77/07/52/972770752.db2.gz XKKLKBMHMLUJDM-UHFFFAOYSA-N 1 2 224.308 1.196 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)n[nH]1 ZINC001327950542 972826578 /nfs/dbraw/zinc/82/65/78/972826578.db2.gz QGWOEUYAICXFBZ-SKDRFNHKSA-N 1 2 223.320 1.168 20 0 BDADLO CCO[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625750 972888452 /nfs/dbraw/zinc/88/84/52/972888452.db2.gz RROJPDWQKCODQZ-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO CO[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144617394 972895643 /nfs/dbraw/zinc/89/56/43/972895643.db2.gz YWOCWWVZYMJEQO-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@H+](Cc1cc(F)c(O)cc1F)[C@H]1CCOC1 ZINC001144663773 972925243 /nfs/dbraw/zinc/92/52/43/972925243.db2.gz IMJAVACJYYOGFL-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1cc(F)c(O)cc1F)[C@H]1CCOC1 ZINC001144663773 972925248 /nfs/dbraw/zinc/92/52/48/972925248.db2.gz IMJAVACJYYOGFL-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144667128 972927290 /nfs/dbraw/zinc/92/72/90/972927290.db2.gz UJCRTNRMYLSJGW-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144667128 972927300 /nfs/dbraw/zinc/92/73/00/972927300.db2.gz UJCRTNRMYLSJGW-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO CC[NH+]1CC(O[C@H]2OC(=O)c3ccccc32)C1 ZINC001223323644 972954925 /nfs/dbraw/zinc/95/49/25/972954925.db2.gz YEUZKDORQNEBNY-ZDUSSCGKSA-N 1 2 233.267 1.576 20 0 BDADLO CC[NH+]1CC(OCc2ncccc2OC)C1 ZINC001223348934 972999949 /nfs/dbraw/zinc/99/99/49/972999949.db2.gz CJNGONFHVTZLCX-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COCC(COC)OCc1cc(C)[nH+]c(C)c1 ZINC001223418886 973050294 /nfs/dbraw/zinc/05/02/94/973050294.db2.gz CJTUREIDEVRERF-UHFFFAOYSA-N 1 2 239.315 1.876 20 0 BDADLO Cc1oncc1C[S@@](=O)Cc1c[nH+]cn1C ZINC001328488459 973092656 /nfs/dbraw/zinc/09/26/56/973092656.db2.gz WFIKKDTVIPAPKS-MRXNPFEDSA-N 1 2 239.300 1.165 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)C1(C(F)F)CC1 ZINC001328569308 973146759 /nfs/dbraw/zinc/14/67/59/973146759.db2.gz RORVSGAMFHXNGI-UHFFFAOYSA-N 1 2 241.241 1.271 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)C)C[C@H]1CCCO1 ZINC000043447036 973172487 /nfs/dbraw/zinc/17/24/87/973172487.db2.gz OQKQZNSDJJQNOZ-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC(C)C)C[C@H]1CCCO1 ZINC000043447036 973172498 /nfs/dbraw/zinc/17/24/98/973172498.db2.gz OQKQZNSDJJQNOZ-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001328678853 973267424 /nfs/dbraw/zinc/26/74/24/973267424.db2.gz MMFKRGJJFRDQMH-UHFFFAOYSA-N 1 2 233.315 1.431 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001328703690 973284036 /nfs/dbraw/zinc/28/40/36/973284036.db2.gz PULNKGQQUHPPKU-BIOMNHJASA-N 1 2 245.326 1.528 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1nnc(C3CC3)o1)C2 ZINC001328787417 973344828 /nfs/dbraw/zinc/34/48/28/973344828.db2.gz UFKLIQZMMFPICP-UHFFFAOYSA-N 1 2 245.286 1.228 20 0 BDADLO Cc1cc(C[N@@H+]2CCCc3n[nH]cc3C2)n[nH]1 ZINC001328904220 973388848 /nfs/dbraw/zinc/38/88/48/973388848.db2.gz BGEKCPMXQLDRPO-UHFFFAOYSA-N 1 2 231.303 1.390 20 0 BDADLO Cc1cc(C[N@H+]2CCCc3n[nH]cc3C2)n[nH]1 ZINC001328904220 973388860 /nfs/dbraw/zinc/38/88/60/973388860.db2.gz BGEKCPMXQLDRPO-UHFFFAOYSA-N 1 2 231.303 1.390 20 0 BDADLO O=C(C[C@@H]1CCCOC1)N[C@H]1CCn2c[nH+]cc21 ZINC001329104248 973481817 /nfs/dbraw/zinc/48/18/17/973481817.db2.gz FSGYGGARTDNHQL-QWRGUYRKSA-N 1 2 249.314 1.261 20 0 BDADLO COC(=O)c1ccc(COC2C[NH+](C)C2)cc1C ZINC001224203048 973485540 /nfs/dbraw/zinc/48/55/40/973485540.db2.gz FASAMBRPNGONEO-UHFFFAOYSA-N 1 2 249.310 1.612 20 0 BDADLO COc1cc(C[NH2+]Cc2cnn[nH]2)ccc1F ZINC001329159968 973526346 /nfs/dbraw/zinc/52/63/46/973526346.db2.gz WHDWSIUMWSLAOP-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ncccn1 ZINC001147407026 973601591 /nfs/dbraw/zinc/60/15/91/973601591.db2.gz MQSIPVDOGLXTCL-UHFFFAOYSA-N 1 2 240.266 1.035 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NCC(C)(C)SC ZINC001148197915 973807002 /nfs/dbraw/zinc/80/70/02/973807002.db2.gz CGQTUGJZOMQYHU-VIFPVBQESA-N 1 2 230.377 1.338 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NCC(C)(C)SC ZINC001148197915 973807007 /nfs/dbraw/zinc/80/70/07/973807007.db2.gz CGQTUGJZOMQYHU-VIFPVBQESA-N 1 2 230.377 1.338 20 0 BDADLO Cn1cc(C(=O)NC2C[NH+](C)C2)c2ccccc21 ZINC001148190709 973814102 /nfs/dbraw/zinc/81/41/02/973814102.db2.gz GGSWSPWIPFXRJA-UHFFFAOYSA-N 1 2 243.310 1.222 20 0 BDADLO CCON(C(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001329555539 973827277 /nfs/dbraw/zinc/82/72/77/973827277.db2.gz UTOWBHJTNDIKKS-JTQLQIEISA-N 1 2 225.292 1.633 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C(=O)CC2(C)C)[C@H](C)CO1 ZINC001329603592 973848781 /nfs/dbraw/zinc/84/87/81/973848781.db2.gz JABBRLPGTGXBEB-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C(=O)CC2(C)C)[C@H](C)CO1 ZINC001329603592 973848791 /nfs/dbraw/zinc/84/87/91/973848791.db2.gz JABBRLPGTGXBEB-GHMZBOCLSA-N 1 2 240.347 1.454 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC(C1CC1)C1CC1 ZINC001148487167 973850391 /nfs/dbraw/zinc/85/03/91/973850391.db2.gz VKEMTMTYJVNQOK-UHFFFAOYSA-N 1 2 247.342 1.813 20 0 BDADLO CN(C)c1cc(N2CCCCCC2)nc[nH+]1 ZINC000585415355 973908587 /nfs/dbraw/zinc/90/85/87/973908587.db2.gz QBPHCKGDCFOYSG-UHFFFAOYSA-N 1 2 220.320 1.923 20 0 BDADLO CN(C)c1cc(N2CCCCCC2)[nH+]cn1 ZINC000585415355 973908606 /nfs/dbraw/zinc/90/86/06/973908606.db2.gz QBPHCKGDCFOYSG-UHFFFAOYSA-N 1 2 220.320 1.923 20 0 BDADLO CCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093525374 974026142 /nfs/dbraw/zinc/02/61/42/974026142.db2.gz NXZVKBOOZZAPME-UHFFFAOYSA-N 1 2 236.319 1.503 20 0 BDADLO COC1C[NH+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171793558 974190118 /nfs/dbraw/zinc/19/01/18/974190118.db2.gz MRRYJASJPRAWSD-SNVBAGLBSA-N 1 2 221.275 1.624 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2CCC(F)(F)C2)CC1=O ZINC001172043715 974316189 /nfs/dbraw/zinc/31/61/89/974316189.db2.gz QKIZDODVNPRCSI-SECBINFHSA-N 1 2 232.274 1.338 20 0 BDADLO CCN1CC[C@@H]([N@H+]2CCC(F)(F)C2)CC1=O ZINC001172043715 974316194 /nfs/dbraw/zinc/31/61/94/974316194.db2.gz QKIZDODVNPRCSI-SECBINFHSA-N 1 2 232.274 1.338 20 0 BDADLO CC(=O)[C@H](C)Oc1cccnc1C[NH+](C)C ZINC001225278853 974344315 /nfs/dbraw/zinc/34/43/15/974344315.db2.gz SHQOGHHHZWPHHI-JTQLQIEISA-N 1 2 222.288 1.500 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1ccncc1 ZINC001225290641 974363094 /nfs/dbraw/zinc/36/30/94/974363094.db2.gz DKNUIJHNESMKGX-NSHDSACASA-N 1 2 222.288 1.181 20 0 BDADLO CC1(F)C[NH+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172163389 974423048 /nfs/dbraw/zinc/42/30/48/974423048.db2.gz PEVNBELUEIKELC-NXEZZACHSA-N 1 2 226.295 1.184 20 0 BDADLO Cc1ccnc(O[C@H](C)C[NH+]2CCOCC2)c1 ZINC001225350484 974432630 /nfs/dbraw/zinc/43/26/30/974432630.db2.gz SOTPMJRITRCTIX-GFCCVEGCSA-N 1 2 236.315 1.490 20 0 BDADLO CC[NH+]1CC(Oc2ccc3[nH]c(=O)ccc3c2)C1 ZINC001225398937 974463810 /nfs/dbraw/zinc/46/38/10/974463810.db2.gz AQBSIMHSCVDGOU-UHFFFAOYSA-N 1 2 244.294 1.611 20 0 BDADLO Cc1ccncc1OC[C@H]1C[N@H+](C)CCO1 ZINC001225410839 974469918 /nfs/dbraw/zinc/46/99/18/974469918.db2.gz HGQVEARTDMUUQO-LLVKDONJSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1ccncc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001225410839 974469921 /nfs/dbraw/zinc/46/99/21/974469921.db2.gz HGQVEARTDMUUQO-LLVKDONJSA-N 1 2 222.288 1.099 20 0 BDADLO c1nc(C[NH2+][C@@H]2CSc3ccccc3C2)no1 ZINC001172195424 974480449 /nfs/dbraw/zinc/48/04/49/974480449.db2.gz ZKXJOJKKGNRMSR-JTQLQIEISA-N 1 2 247.323 1.876 20 0 BDADLO C[C@H](C(=O)N[C@@H]1COC2(CCC2)C1)n1cc[nH+]c1 ZINC001330801745 974481618 /nfs/dbraw/zinc/48/16/18/974481618.db2.gz BMIFMCRQMXDNLY-MNOVXSKESA-N 1 2 249.314 1.272 20 0 BDADLO C[NH+]1CC(Oc2ccc3ccncc3c2)C1 ZINC001225452023 974500921 /nfs/dbraw/zinc/50/09/21/974500921.db2.gz VYAQBDYRHSVLDQ-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO CC(C)[NH+]1CC(Oc2ncccc2O)C1 ZINC001225650640 974621750 /nfs/dbraw/zinc/62/17/50/974621750.db2.gz MACXIEGWYOICLJ-UHFFFAOYSA-N 1 2 208.261 1.259 20 0 BDADLO CCOCC[C@@H](C)[NH2+]C1(C(=O)OCC)CCC1 ZINC001172413088 974679502 /nfs/dbraw/zinc/67/95/02/974679502.db2.gz GLYVSBUQWWMYCY-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1c(Cl)ncnc1OC1C[NH+](C(C)C)C1 ZINC001226077105 974779259 /nfs/dbraw/zinc/77/92/59/974779259.db2.gz ZLPBRWVCLVHIJP-UHFFFAOYSA-N 1 2 241.722 1.910 20 0 BDADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2(C)CC2)[nH]n1 ZINC001331684855 974788734 /nfs/dbraw/zinc/78/87/34/974788734.db2.gz CQBAVUUPJMPDPZ-NSHDSACASA-N 1 2 248.330 1.459 20 0 BDADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2(C)CC2)[nH]n1 ZINC001331684855 974788739 /nfs/dbraw/zinc/78/87/39/974788739.db2.gz CQBAVUUPJMPDPZ-NSHDSACASA-N 1 2 248.330 1.459 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1cccc(F)n1 ZINC001226187259 974822319 /nfs/dbraw/zinc/82/23/19/974822319.db2.gz SPHNTOLVIDKNPJ-SNVBAGLBSA-N 1 2 240.278 1.320 20 0 BDADLO OCc1cc[nH+]c(NC/C=C\C2CC2)c1 ZINC001331912312 974862094 /nfs/dbraw/zinc/86/20/94/974862094.db2.gz WCKCQQMEZCWDAA-UPHRSURJSA-N 1 2 204.273 1.952 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611804 974886545 /nfs/dbraw/zinc/88/65/45/974886545.db2.gz QQWAUIFHMRQCEL-ZRUFSTJUSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611804 974886548 /nfs/dbraw/zinc/88/65/48/974886548.db2.gz QQWAUIFHMRQCEL-ZRUFSTJUSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611796 974887674 /nfs/dbraw/zinc/88/76/74/974887674.db2.gz QQWAUIFHMRQCEL-DBIOUOCHSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001172611796 974887677 /nfs/dbraw/zinc/88/76/77/974887677.db2.gz QQWAUIFHMRQCEL-DBIOUOCHSA-N 1 2 247.285 1.710 20 0 BDADLO CC1(O)C[NH+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720424 974904157 /nfs/dbraw/zinc/90/41/57/974904157.db2.gz ZMIMMHUJGSKKER-LBPRGKRZSA-N 1 2 237.730 1.874 20 0 BDADLO CC(C)Oc1ccc(C[NH+]2CC(O)C2)cc1 ZINC000297440605 974912894 /nfs/dbraw/zinc/91/28/94/974912894.db2.gz ODMUQDFTIOYLTL-UHFFFAOYSA-N 1 2 221.300 1.650 20 0 BDADLO Cc1noc2cc(OC3C[NH+](C)C3)ccc12 ZINC001226536801 974948132 /nfs/dbraw/zinc/94/81/32/974948132.db2.gz AMGPZDLZCRBOQT-UHFFFAOYSA-N 1 2 218.256 1.829 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172925312 974972232 /nfs/dbraw/zinc/97/22/32/974972232.db2.gz XNEWHZCMOFGQHC-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO CO[C@H]1CCC[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929455 974977233 /nfs/dbraw/zinc/97/72/33/974977233.db2.gz DZYYKZWJWOOGNP-DCAQKATOSA-N 1 2 249.301 1.646 20 0 BDADLO CO[C@H]1CCC[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929455 974977240 /nfs/dbraw/zinc/97/72/40/974977240.db2.gz DZYYKZWJWOOGNP-DCAQKATOSA-N 1 2 249.301 1.646 20 0 BDADLO Cc1cc(OC2C[NH+](C(C)C)C2)nc(=S)[nH]1 ZINC001226799788 975090901 /nfs/dbraw/zinc/09/09/01/975090901.db2.gz AOQAVGFCGAAZEA-UHFFFAOYSA-N 1 2 239.344 1.545 20 0 BDADLO CC[NH+]1CC(Oc2ccc(OC)cc2OC)C1 ZINC001226826777 975102977 /nfs/dbraw/zinc/10/29/77/975102977.db2.gz PJLPCUKXPHTIIC-UHFFFAOYSA-N 1 2 237.299 1.787 20 0 BDADLO N[C@@H](c1nc(C2([NH3+])CC2)no1)C1CCCCC1 ZINC001332516411 975190592 /nfs/dbraw/zinc/19/05/92/975190592.db2.gz SNFKWLVNHQVVIE-SECBINFHSA-N 1 2 236.319 1.598 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C=CCC1 ZINC001332865156 975298008 /nfs/dbraw/zinc/29/80/08/975298008.db2.gz CTATZEUIJHKCKN-YPMHNXCESA-N 1 2 233.315 1.744 20 0 BDADLO CC(=O)N1CC(Oc2c(C)cc[nH+]c2C)C1 ZINC001227263341 975337032 /nfs/dbraw/zinc/33/70/32/975337032.db2.gz FGCZMJPLGKMEQS-UHFFFAOYSA-N 1 2 220.272 1.308 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001227264968 975339856 /nfs/dbraw/zinc/33/98/56/975339856.db2.gz QPDIESDPNSLUAE-GMXVVIOVSA-N 1 2 235.283 1.839 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](OC)C1CC1)C1CC1 ZINC001332963182 975343257 /nfs/dbraw/zinc/34/32/57/975343257.db2.gz XHXBSXYWBDFNKY-NEPJUHHUSA-N 1 2 241.331 1.343 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271404 975346880 /nfs/dbraw/zinc/34/68/80/975346880.db2.gz VNWCRHYFTSCDTP-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271404 975346887 /nfs/dbraw/zinc/34/68/87/975346887.db2.gz VNWCRHYFTSCDTP-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)Cc1cncs1 ZINC001333142308 975490756 /nfs/dbraw/zinc/49/07/56/975490756.db2.gz LBXKGXHQNGFAGO-HNNXBMFYSA-N 1 2 241.341 1.326 20 0 BDADLO CCOc1cc(C[N@H+](C)CC(C)=O)ccc1O ZINC001204128704 975504085 /nfs/dbraw/zinc/50/40/85/975504085.db2.gz XUZPTLULNKYPCP-UHFFFAOYSA-N 1 2 237.299 1.812 20 0 BDADLO CCOc1cc(C[N@@H+](C)CC(C)=O)ccc1O ZINC001204128704 975504099 /nfs/dbraw/zinc/50/40/99/975504099.db2.gz XUZPTLULNKYPCP-UHFFFAOYSA-N 1 2 237.299 1.812 20 0 BDADLO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)C1 ZINC001173645784 975511457 /nfs/dbraw/zinc/51/14/57/975511457.db2.gz AJPFVJYINMWEIA-GHMZBOCLSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C2)C1 ZINC001173645784 975511476 /nfs/dbraw/zinc/51/14/76/975511476.db2.gz AJPFVJYINMWEIA-GHMZBOCLSA-N 1 2 239.315 1.383 20 0 BDADLO CC[NH+]1CC(Oc2cc(C(C)(C)F)ncn2)C1 ZINC001227844294 975733572 /nfs/dbraw/zinc/73/35/72/975733572.db2.gz ZESNSQBLTRCUJK-UHFFFAOYSA-N 1 2 239.294 1.764 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)NC1CSC1 ZINC001333389371 975739688 /nfs/dbraw/zinc/73/96/88/975739688.db2.gz IYLCVJAJSBQORL-UHFFFAOYSA-N 1 2 248.311 1.571 20 0 BDADLO C[NH+]1CC(Oc2nccc3cc(Cl)ncc32)C1 ZINC001227856281 975741685 /nfs/dbraw/zinc/74/16/85/975741685.db2.gz ALGXNZSEFKQMBS-UHFFFAOYSA-N 1 2 249.701 1.976 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2nccc3cc[nH]c32)C1 ZINC001227898496 975780249 /nfs/dbraw/zinc/78/02/49/975780249.db2.gz NQTYDCTVWPBOAR-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2nccc3cc[nH]c32)C1 ZINC001227898496 975780259 /nfs/dbraw/zinc/78/02/59/975780259.db2.gz NQTYDCTVWPBOAR-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO CC[NH+]1CC(Oc2cn3ccccc3n2)C1 ZINC001227945414 975804300 /nfs/dbraw/zinc/80/43/00/975804300.db2.gz LUPREWJADLXALN-UHFFFAOYSA-N 1 2 217.272 1.417 20 0 BDADLO CCCOC(=O)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001228002224 975843394 /nfs/dbraw/zinc/84/33/94/975843394.db2.gz BYMHJIMHFIAJMD-UHFFFAOYSA-N 1 2 249.310 1.946 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]2C1)n1cc[nH+]c1 ZINC001333574702 975860773 /nfs/dbraw/zinc/86/07/73/975860773.db2.gz QDTJNBXTGAPWDD-SDDRHHMPSA-N 1 2 233.315 1.703 20 0 BDADLO COc1ccc(OC2C[NH+](C)C2)cc1F ZINC001228057580 975881895 /nfs/dbraw/zinc/88/18/95/975881895.db2.gz BHQXZUBLMAFQAC-UHFFFAOYSA-N 1 2 211.236 1.527 20 0 BDADLO O[C@H]1CCN(c2ccc(Nc3ccoc3)c[nH+]2)C1 ZINC001173935072 976063023 /nfs/dbraw/zinc/06/30/23/976063023.db2.gz YVRBVOIQFTVKFE-LBPRGKRZSA-N 1 2 245.282 1.989 20 0 BDADLO Cc1[nH]c2ccc(OC3COC3)cc2[nH+]1 ZINC001228327537 976120575 /nfs/dbraw/zinc/12/05/75/976120575.db2.gz RIWAQJXBCWEBJA-UHFFFAOYSA-N 1 2 204.229 1.649 20 0 BDADLO CN(Cc1cscn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001333993566 976199618 /nfs/dbraw/zinc/19/96/18/976199618.db2.gz FVBYJTTUNNIFGB-UHFFFAOYSA-N 1 2 236.300 1.067 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)Cc1c[nH]c[nH+]1 ZINC001333999125 976206370 /nfs/dbraw/zinc/20/63/70/976206370.db2.gz JZSUIKFXKVSKRQ-UHFFFAOYSA-N 1 2 234.259 1.220 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228481009 976249979 /nfs/dbraw/zinc/24/99/79/976249979.db2.gz UTKZBRJYUSQBCE-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228481009 976249997 /nfs/dbraw/zinc/24/99/97/976249997.db2.gz UTKZBRJYUSQBCE-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)cnc1F ZINC001228583012 976348773 /nfs/dbraw/zinc/34/87/73/976348773.db2.gz TVQGDCNFYNISIH-LLVKDONJSA-N 1 2 240.278 1.239 20 0 BDADLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)cnc1F ZINC001228583012 976348786 /nfs/dbraw/zinc/34/87/86/976348786.db2.gz TVQGDCNFYNISIH-LLVKDONJSA-N 1 2 240.278 1.239 20 0 BDADLO C[C@H](C[NH+](C)C)Oc1nc(-c2cccnc2)n[nH]1 ZINC001228695089 976437541 /nfs/dbraw/zinc/43/75/41/976437541.db2.gz JKZBZMHBLNINPY-SECBINFHSA-N 1 2 247.302 1.196 20 0 BDADLO COc1cc(Nc2cn[nH]c2)cc(C)[nH+]1 ZINC001174295411 976477217 /nfs/dbraw/zinc/47/72/17/976477217.db2.gz ALKDFUGNRBIYLE-UHFFFAOYSA-N 1 2 204.233 1.865 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)CC1CCC1)[C@@H](C)O ZINC001334404175 976496220 /nfs/dbraw/zinc/49/62/20/976496220.db2.gz ZUYUBTLPUBHXGG-NGZCFLSTSA-N 1 2 229.320 1.077 20 0 BDADLO CCCc1cnc(=O)[nH]c1OC1C[NH+](CC)C1 ZINC001228876640 976545331 /nfs/dbraw/zinc/54/53/31/976545331.db2.gz DHPOFPISUFCWQC-UHFFFAOYSA-N 1 2 237.303 1.218 20 0 BDADLO Cc1nn(C)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001174333762 976546569 /nfs/dbraw/zinc/54/65/69/976546569.db2.gz WOOZYJUYCXHUPM-UHFFFAOYSA-N 1 2 231.303 1.933 20 0 BDADLO Cn1cc(Nc2ccn3cc[nH+]c3c2)ccc1=O ZINC001174356375 976600415 /nfs/dbraw/zinc/60/04/15/976600415.db2.gz MPDVDLHTIYZBGW-UHFFFAOYSA-N 1 2 240.266 1.777 20 0 BDADLO CC(C)(CNC(=O)CC1(C)CC1)n1cc[nH+]c1 ZINC001334733274 976608945 /nfs/dbraw/zinc/60/89/45/976608945.db2.gz OBIPVALKMRTQST-UHFFFAOYSA-N 1 2 235.331 1.925 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cncnc2C)[nH+]c1C ZINC001334763262 976629026 /nfs/dbraw/zinc/62/90/26/976629026.db2.gz IWCYCCNIWZKRAV-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1c(Nc2[nH+]cc(C)cc2N)cnn1C ZINC001174388528 976639811 /nfs/dbraw/zinc/63/98/11/976639811.db2.gz TWPAKAPOTZLLOX-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1[nH+]cc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)n1C ZINC001334827875 976724877 /nfs/dbraw/zinc/72/48/77/976724877.db2.gz MAXHRYMJKIXYHK-LLVKDONJSA-N 1 2 239.319 1.175 20 0 BDADLO Cl/C=C\CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001335005876 976823474 /nfs/dbraw/zinc/82/34/74/976823474.db2.gz KGWDYWOJWNURAR-UPHRSURJSA-N 1 2 240.738 1.280 20 0 BDADLO CO[C@@H](C)CCNc1cc(N(C)C)nc[nH+]1 ZINC001335041078 976832538 /nfs/dbraw/zinc/83/25/38/976832538.db2.gz CLSFTMSFVNEPAJ-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO CO[C@@H](C)CCNc1cc(N(C)C)[nH+]cn1 ZINC001335041078 976832548 /nfs/dbraw/zinc/83/25/48/976832548.db2.gz CLSFTMSFVNEPAJ-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO CC[NH+]1CC(Oc2cc(=O)[nH]c3cccnc32)C1 ZINC001229505181 976883099 /nfs/dbraw/zinc/88/30/99/976883099.db2.gz KWTVMKXGSNSCMH-UHFFFAOYSA-N 1 2 245.282 1.418 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2c[nH]ccc2=O)C1 ZINC001229510271 976886200 /nfs/dbraw/zinc/88/62/00/976886200.db2.gz RWHXYKCALFVLDR-UHFFFAOYSA-N 1 2 222.288 1.236 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC001335296223 976934572 /nfs/dbraw/zinc/93/45/72/976934572.db2.gz JSGKLDFWGCRIOC-ZETCQYMHSA-N 1 2 234.259 1.329 20 0 BDADLO O=C1OCC[C@@H]1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229952199 977041606 /nfs/dbraw/zinc/04/16/06/977041606.db2.gz ZGAPUVGTCDJIKS-LBPRGKRZSA-N 1 2 244.250 1.567 20 0 BDADLO CC(C)[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ncon1 ZINC001335449277 977067161 /nfs/dbraw/zinc/06/71/61/977067161.db2.gz TYVUNFQQYBVNMK-XVKPBYJWSA-N 1 2 249.261 1.372 20 0 BDADLO CC[NH+]1CC(Oc2cc3c[nH]nc3cc2C)C1 ZINC001230221774 977134239 /nfs/dbraw/zinc/13/42/39/977134239.db2.gz AWNNZVOIGGNPJW-UHFFFAOYSA-N 1 2 231.299 1.954 20 0 BDADLO COC(=O)CCN(C)c1nc(C)[nH+]c2c1CCC2 ZINC000260023638 977158848 /nfs/dbraw/zinc/15/88/48/977158848.db2.gz CFJXFVMAEQQYHC-UHFFFAOYSA-N 1 2 249.314 1.273 20 0 BDADLO CCc1ncoc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001335714996 977241274 /nfs/dbraw/zinc/24/12/74/977241274.db2.gz KZDWGUKUKZNAJA-SECBINFHSA-N 1 2 248.286 1.252 20 0 BDADLO CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230619441 977272759 /nfs/dbraw/zinc/27/27/59/977272759.db2.gz LPLQEZQLAQEJTJ-JTQLQIEISA-N 1 2 216.300 1.289 20 0 BDADLO CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230619441 977272769 /nfs/dbraw/zinc/27/27/69/977272769.db2.gz LPLQEZQLAQEJTJ-JTQLQIEISA-N 1 2 216.300 1.289 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCC1 ZINC001335774298 977273749 /nfs/dbraw/zinc/27/37/49/977273749.db2.gz KTNFGAIKNVXKLP-NXEZZACHSA-N 1 2 221.304 1.749 20 0 BDADLO CN(C)c1ccc(Nc2c(N)cnn2C)c[nH+]1 ZINC001175340331 977387577 /nfs/dbraw/zinc/38/75/77/977387577.db2.gz DVTNCSVCOGYGJB-UHFFFAOYSA-N 1 2 232.291 1.207 20 0 BDADLO O=C1C[C@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)CO1 ZINC001231082089 977467493 /nfs/dbraw/zinc/46/74/93/977467493.db2.gz RCTAQCHQVTUJNW-NSHDSACASA-N 1 2 244.250 1.771 20 0 BDADLO C[N@@H+]1CC[C@H](C(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC001336070899 977479165 /nfs/dbraw/zinc/47/91/65/977479165.db2.gz AZCIVCZVMXYWDR-FVMDXXJSSA-N 1 2 246.376 1.361 20 0 BDADLO COC(=O)c1cccc(C[NH+]2CC(C)(C)C2)n1 ZINC001231423495 977588117 /nfs/dbraw/zinc/58/81/17/977588117.db2.gz BRMNRGAOILCVCZ-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1c[nH]c2cnccc12 ZINC001231521826 977631562 /nfs/dbraw/zinc/63/15/62/977631562.db2.gz OWQHQRBUTDVYAX-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]c2cnccc12 ZINC001231521826 977631571 /nfs/dbraw/zinc/63/15/71/977631571.db2.gz OWQHQRBUTDVYAX-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO CCN(Cc1cc2cc[nH]c2cn1)C1C[NH+](C)C1 ZINC001231672405 977682496 /nfs/dbraw/zinc/68/24/96/977682496.db2.gz FJMIPMOHMSRLKA-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO C[C@@H](O)[C@H](C)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001175890520 977769481 /nfs/dbraw/zinc/76/94/81/977769481.db2.gz AMUDMJIGWKHUIX-VHSXEESVSA-N 1 2 239.290 1.098 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)O[C@@H](CO)C2)[nH+]1 ZINC001336595107 977804961 /nfs/dbraw/zinc/80/49/61/977804961.db2.gz CSOOWCLLTWTNMX-MWLCHTKSSA-N 1 2 240.278 1.115 20 0 BDADLO COc1cnc(C[N@@H+]2CCCC[C@H](F)C2)cn1 ZINC001231939222 977807405 /nfs/dbraw/zinc/80/74/05/977807405.db2.gz OJPVADKIFUAKEV-JTQLQIEISA-N 1 2 239.294 1.809 20 0 BDADLO COc1cnc(C[N@H+]2CCCC[C@H](F)C2)cn1 ZINC001231939222 977807408 /nfs/dbraw/zinc/80/74/08/977807408.db2.gz OJPVADKIFUAKEV-JTQLQIEISA-N 1 2 239.294 1.809 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231991214 977826286 /nfs/dbraw/zinc/82/62/86/977826286.db2.gz VTFVNLAFPFUFLQ-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231991214 977826291 /nfs/dbraw/zinc/82/62/91/977826291.db2.gz VTFVNLAFPFUFLQ-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cncc(O)c1)C2 ZINC001232045490 977869357 /nfs/dbraw/zinc/86/93/57/977869357.db2.gz XFYVUKTWMGDOMR-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc3ncccc3[nH]2)C1 ZINC001232061150 977873028 /nfs/dbraw/zinc/87/30/28/977873028.db2.gz CYEUSODPLSRPQD-UHFFFAOYSA-N 1 2 245.282 1.168 20 0 BDADLO Cc1cc2cc(N)cnc2n1-c1[nH]cc[nH+]1 ZINC001176080773 977876507 /nfs/dbraw/zinc/87/65/07/977876507.db2.gz XHEYSDCESMMRET-UHFFFAOYSA-N 1 2 213.244 1.639 20 0 BDADLO C[N@H+](Cc1cc2ncccc2[nH]1)C1COC1 ZINC001232067036 977877867 /nfs/dbraw/zinc/87/78/67/977877867.db2.gz FFWOAUMYQRQYOA-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1cc2ncccc2[nH]1)C1COC1 ZINC001232067036 977877873 /nfs/dbraw/zinc/87/78/73/977877873.db2.gz FFWOAUMYQRQYOA-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@@H]1F ZINC001232081870 977880653 /nfs/dbraw/zinc/88/06/53/977880653.db2.gz KGGXEWLOCVZWDR-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@@H]1F ZINC001232081870 977880654 /nfs/dbraw/zinc/88/06/54/977880654.db2.gz KGGXEWLOCVZWDR-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO Nc1nc(Cl)cc2ncn(-c3[nH]cc[nH+]3)c21 ZINC001176082224 977881511 /nfs/dbraw/zinc/88/15/11/977881511.db2.gz AATPQNAVWCDPHF-UHFFFAOYSA-N 1 2 234.650 1.379 20 0 BDADLO FC(F)(F)c1ccnnc1Nc1[nH]cc[nH+]1 ZINC001176082649 977882437 /nfs/dbraw/zinc/88/24/37/977882437.db2.gz QAMUFRVISKIBTN-UHFFFAOYSA-N 1 2 229.165 1.962 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1 ZINC001232083983 977884195 /nfs/dbraw/zinc/88/41/95/977884195.db2.gz RCPWKSNWOSGBJD-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(C)n1 ZINC001232083983 977884199 /nfs/dbraw/zinc/88/41/99/977884199.db2.gz RCPWKSNWOSGBJD-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc3ccncc3[nH]2)C[C@@H]1F ZINC001232091020 977887775 /nfs/dbraw/zinc/88/77/75/977887775.db2.gz SDACCNXAVJOTOK-AAEUAGOBSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc3ccncc3[nH]2)C[C@@H]1F ZINC001232091020 977887781 /nfs/dbraw/zinc/88/77/81/977887781.db2.gz SDACCNXAVJOTOK-AAEUAGOBSA-N 1 2 249.289 1.732 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1(C)CC1 ZINC001336731279 977892330 /nfs/dbraw/zinc/89/23/30/977892330.db2.gz IHGLWTVZBSGTGR-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cn(C)nc1C1CC1 ZINC001232168099 977906223 /nfs/dbraw/zinc/90/62/23/977906223.db2.gz BJYDXTAURBUYSV-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cn(C)nc1C1CC1 ZINC001232168099 977906233 /nfs/dbraw/zinc/90/62/33/977906233.db2.gz BJYDXTAURBUYSV-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CC2)[C@@H](C)CO1 ZINC001232170824 977906380 /nfs/dbraw/zinc/90/63/80/977906380.db2.gz CZVLYVNQPUMWLC-WDEREUQCSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)[C@@H](C)CO1 ZINC001232170824 977906390 /nfs/dbraw/zinc/90/63/90/977906390.db2.gz CZVLYVNQPUMWLC-WDEREUQCSA-N 1 2 249.358 1.907 20 0 BDADLO CC1(O)C[NH+](Cc2ccnc3c(F)cccc23)C1 ZINC001232206134 977931251 /nfs/dbraw/zinc/93/12/51/977931251.db2.gz DVYPDDWGOKPBBD-UHFFFAOYSA-N 1 2 246.285 1.941 20 0 BDADLO COc1cc[nH+]cc1Nc1ncnn2cccc12 ZINC001176116616 977943341 /nfs/dbraw/zinc/94/33/41/977943341.db2.gz HXGDKNBLCPIVIS-UHFFFAOYSA-N 1 2 241.254 1.298 20 0 BDADLO OC[C@H]1C[N@H+](Cc2cnsc2)CCC1(F)F ZINC001232224573 977945384 /nfs/dbraw/zinc/94/53/84/977945384.db2.gz MPFSFXHGJMECBZ-SECBINFHSA-N 1 2 248.298 1.593 20 0 BDADLO COc1cc[nH+]cc1Nc1cncc(O)c1 ZINC001176116815 977946235 /nfs/dbraw/zinc/94/62/35/977946235.db2.gz LFGNBFFLZRRDDB-UHFFFAOYSA-N 1 2 217.228 1.934 20 0 BDADLO COc1cc[nH+]cc1N(C)c1nccnc1N ZINC001176118478 977946931 /nfs/dbraw/zinc/94/69/31/977946931.db2.gz LNEHMSZPUCHGLG-UHFFFAOYSA-N 1 2 231.259 1.230 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C)c(C)n1 ZINC001232330292 978003681 /nfs/dbraw/zinc/00/36/81/978003681.db2.gz AOHWYWMVKRYYKC-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@H]2C)c(C)n1 ZINC001232330292 978003693 /nfs/dbraw/zinc/00/36/93/978003693.db2.gz AOHWYWMVKRYYKC-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CC(C)(F)C1 ZINC001232337733 978013274 /nfs/dbraw/zinc/01/32/74/978013274.db2.gz BIEMIGANQUUDCE-UHFFFAOYSA-N 1 2 209.268 1.516 20 0 BDADLO Nc1ccc(C[N@H+]2CCCCC23COC3)cn1 ZINC001232368322 978039260 /nfs/dbraw/zinc/03/92/60/978039260.db2.gz BUJOHNYSFRNKSM-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO Nc1ccc(C[N@@H+]2CCCCC23COC3)cn1 ZINC001232368322 978039247 /nfs/dbraw/zinc/03/92/47/978039247.db2.gz BUJOHNYSFRNKSM-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO Nc1ccc(C[N@@H+]2CCc3occc3C2)cn1 ZINC001232369284 978048071 /nfs/dbraw/zinc/04/80/71/978048071.db2.gz ZGQNYDADOKPQEO-UHFFFAOYSA-N 1 2 229.283 1.815 20 0 BDADLO Nc1ccc(C[N@H+]2CCc3occc3C2)cn1 ZINC001232369284 978048075 /nfs/dbraw/zinc/04/80/75/978048075.db2.gz ZGQNYDADOKPQEO-UHFFFAOYSA-N 1 2 229.283 1.815 20 0 BDADLO Fc1ccc2nc(C[NH+]3CCC3)cn2c1 ZINC001232409879 978049984 /nfs/dbraw/zinc/04/99/84/978049984.db2.gz VQANCEOGRAKNFM-UHFFFAOYSA-N 1 2 205.236 1.679 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)[nH]1 ZINC001232459192 978078101 /nfs/dbraw/zinc/07/81/01/978078101.db2.gz AIBNEMJFZZWDSL-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)[nH]1 ZINC001232459192 978078108 /nfs/dbraw/zinc/07/81/08/978078108.db2.gz AIBNEMJFZZWDSL-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c[nH]1 ZINC001232459192 978078122 /nfs/dbraw/zinc/07/81/22/978078122.db2.gz AIBNEMJFZZWDSL-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c[nH]1 ZINC001232459192 978078134 /nfs/dbraw/zinc/07/81/34/978078134.db2.gz AIBNEMJFZZWDSL-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC001232458350 978084658 /nfs/dbraw/zinc/08/46/58/978084658.db2.gz FPEBTLUVIYFMNC-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC001232458350 978084672 /nfs/dbraw/zinc/08/46/72/978084672.db2.gz FPEBTLUVIYFMNC-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC001232458350 978084682 /nfs/dbraw/zinc/08/46/82/978084682.db2.gz FPEBTLUVIYFMNC-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC001232458350 978084689 /nfs/dbraw/zinc/08/46/89/978084689.db2.gz FPEBTLUVIYFMNC-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO Cc1[nH]c(CN2CC[C@](C)(F)[C@@H](F)C2)c[nH+]1 ZINC001232459992 978085899 /nfs/dbraw/zinc/08/58/99/978085899.db2.gz LETQTRLCTNSRQV-QWRGUYRKSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1[nH]cc(CN2CC[C@](C)(F)[C@@H](F)C2)[nH+]1 ZINC001232459992 978085907 /nfs/dbraw/zinc/08/59/07/978085907.db2.gz LETQTRLCTNSRQV-QWRGUYRKSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)[nH]1 ZINC001232460502 978099693 /nfs/dbraw/zinc/09/96/93/978099693.db2.gz SCJJKTJXGJMAFN-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)[nH]1 ZINC001232460502 978099707 /nfs/dbraw/zinc/09/97/07/978099707.db2.gz SCJJKTJXGJMAFN-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c[nH]1 ZINC001232460502 978099718 /nfs/dbraw/zinc/09/97/18/978099718.db2.gz SCJJKTJXGJMAFN-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c[nH]1 ZINC001232460502 978099725 /nfs/dbraw/zinc/09/97/25/978099725.db2.gz SCJJKTJXGJMAFN-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)C[C@@H](F)CS3)c[nH+]1 ZINC001232465095 978105341 /nfs/dbraw/zinc/10/53/41/978105341.db2.gz SZGBJDXWHDBCGP-SECBINFHSA-N 1 2 241.335 1.748 20 0 BDADLO Cc1[nH]cc(CN2CC3(C2)C[C@@H](F)CS3)[nH+]1 ZINC001232465095 978105348 /nfs/dbraw/zinc/10/53/48/978105348.db2.gz SZGBJDXWHDBCGP-SECBINFHSA-N 1 2 241.335 1.748 20 0 BDADLO CC(=O)[C@H]1CCCCN1Cc1c[nH+]c(C)[nH]1 ZINC001232464991 978105749 /nfs/dbraw/zinc/10/57/49/978105749.db2.gz PORTZXLDWQIJPT-GFCCVEGCSA-N 1 2 221.304 1.662 20 0 BDADLO CC(=O)[C@H]1CCCCN1Cc1c[nH]c(C)[nH+]1 ZINC001232464991 978105757 /nfs/dbraw/zinc/10/57/57/978105757.db2.gz PORTZXLDWQIJPT-GFCCVEGCSA-N 1 2 221.304 1.662 20 0 BDADLO COc1cncc(OC)c1C[NH+]1CC(C)C1 ZINC001232501020 978153429 /nfs/dbraw/zinc/15/34/29/978153429.db2.gz VYQUSRFDYLXSGF-UHFFFAOYSA-N 1 2 222.288 1.551 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001232514257 978163782 /nfs/dbraw/zinc/16/37/82/978163782.db2.gz SNJYRPZUADISFQ-VXGBXAGGSA-N 1 2 236.290 1.771 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001232514257 978163786 /nfs/dbraw/zinc/16/37/86/978163786.db2.gz SNJYRPZUADISFQ-VXGBXAGGSA-N 1 2 236.290 1.771 20 0 BDADLO CC1(CO)C[NH+](Cc2cc3ccoc3cn2)C1 ZINC001232550512 978172208 /nfs/dbraw/zinc/17/22/08/978172208.db2.gz XJVQNEZIRCBILY-UHFFFAOYSA-N 1 2 232.283 1.642 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2nnnn2C)c(C)n1 ZINC001176793169 978177576 /nfs/dbraw/zinc/17/75/76/978177576.db2.gz PDYRBVOXSPQTFJ-JTQLQIEISA-N 1 2 246.318 1.073 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1nc3ccccc3o1)C2 ZINC001232555180 978182832 /nfs/dbraw/zinc/18/28/32/978182832.db2.gz PIOSJOKUWQKDSA-UHFFFAOYSA-N 1 2 244.294 1.785 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC001176825912 978193451 /nfs/dbraw/zinc/19/34/51/978193451.db2.gz DVIVBRHXYWFPBV-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO Nc1cccc2c1N(C(=O)Cc1c[nH]c[nH+]1)CC2 ZINC001176833779 978198484 /nfs/dbraw/zinc/19/84/84/978198484.db2.gz WUBPWSZEHVEXEQ-UHFFFAOYSA-N 1 2 242.282 1.124 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(c2ccccn2)CC1 ZINC001176836692 978202849 /nfs/dbraw/zinc/20/28/49/978202849.db2.gz ODPISLDSPZGSLS-UHFFFAOYSA-N 1 2 242.282 1.153 20 0 BDADLO CCCCCCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001277691720 978207325 /nfs/dbraw/zinc/20/73/25/978207325.db2.gz QHQROUZOAYKLMV-UHFFFAOYSA-N 1 2 242.363 1.092 20 0 BDADLO C[C@H]1C[N@H+](Cc2c[nH]c3ncncc23)CCC1=O ZINC001232655172 978208995 /nfs/dbraw/zinc/20/89/95/978208995.db2.gz UQNYURLUNHZSPP-VIFPVBQESA-N 1 2 244.298 1.320 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c[nH]c3ncncc23)CCC1=O ZINC001232655172 978209004 /nfs/dbraw/zinc/20/90/04/978209004.db2.gz UQNYURLUNHZSPP-VIFPVBQESA-N 1 2 244.298 1.320 20 0 BDADLO CCCN(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001337239458 978211171 /nfs/dbraw/zinc/21/11/71/978211171.db2.gz OUCXTUYOGHPKKZ-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)C1CC1 ZINC001596475875 978222837 /nfs/dbraw/zinc/22/28/37/978222837.db2.gz QIQQVLREHIEOKY-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO CCN1CC[N@H+](Cc2ccccc2NC)CC1=O ZINC001232673318 978233669 /nfs/dbraw/zinc/23/36/69/978233669.db2.gz YSNBJDJHZBFFAX-UHFFFAOYSA-N 1 2 247.342 1.392 20 0 BDADLO CCN1CC[N@@H+](Cc2ccccc2NC)CC1=O ZINC001232673318 978233681 /nfs/dbraw/zinc/23/36/81/978233681.db2.gz YSNBJDJHZBFFAX-UHFFFAOYSA-N 1 2 247.342 1.392 20 0 BDADLO Cc1c(C[NH+]2CC(CO)C2)ccnc1Cl ZINC001232752941 978262423 /nfs/dbraw/zinc/26/24/23/978262423.db2.gz RBWMJGZYYFFRPT-UHFFFAOYSA-N 1 2 226.707 1.468 20 0 BDADLO Cc1nc(N2CC(F)(F)CC[C@H]2C)nc(N)[nH+]1 ZINC001337325487 978286366 /nfs/dbraw/zinc/28/63/66/978286366.db2.gz QDPCBZOZPGOTGJ-ZCFIWIBFSA-N 1 2 243.261 1.386 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H](F)C(C)C)c[nH+]1 ZINC001597256926 978303661 /nfs/dbraw/zinc/30/36/61/978303661.db2.gz AIHLQVSEGZKYGD-JTQLQIEISA-N 1 2 227.283 1.582 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H](F)C(C)C)[nH+]1 ZINC001597256926 978303673 /nfs/dbraw/zinc/30/36/73/978303673.db2.gz AIHLQVSEGZKYGD-JTQLQIEISA-N 1 2 227.283 1.582 20 0 BDADLO CCC[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001337419044 978331743 /nfs/dbraw/zinc/33/17/43/978331743.db2.gz HTHLPKSPOZCMFS-LLVKDONJSA-N 1 2 221.304 1.743 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+]1CCCC12CC2 ZINC001232913893 978332007 /nfs/dbraw/zinc/33/20/07/978332007.db2.gz YESISCTXEAYZFG-UHFFFAOYSA-N 1 2 249.314 1.715 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+]1CCCC12CC2 ZINC001232913893 978332016 /nfs/dbraw/zinc/33/20/16/978332016.db2.gz YESISCTXEAYZFG-UHFFFAOYSA-N 1 2 249.314 1.715 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+](C)C1CC1 ZINC001232913138 978333145 /nfs/dbraw/zinc/33/31/45/978333145.db2.gz HFKWFTQJSGWJCH-UHFFFAOYSA-N 1 2 223.276 1.181 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+](C)C1CC1 ZINC001232913138 978333158 /nfs/dbraw/zinc/33/31/58/978333158.db2.gz HFKWFTQJSGWJCH-UHFFFAOYSA-N 1 2 223.276 1.181 20 0 BDADLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2ncoc2c1 ZINC001232942734 978356795 /nfs/dbraw/zinc/35/67/95/978356795.db2.gz JCUMYVAZZNUIFK-RYUDHWBXSA-N 1 2 243.310 1.716 20 0 BDADLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2ncoc2c1 ZINC001232942734 978356805 /nfs/dbraw/zinc/35/68/05/978356805.db2.gz JCUMYVAZZNUIFK-RYUDHWBXSA-N 1 2 243.310 1.716 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CC[C@H]1CCOC1 ZINC001337508896 978381809 /nfs/dbraw/zinc/38/18/09/978381809.db2.gz IPLZGMNIQJKWTR-LBPRGKRZSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@H]1F ZINC001337510203 978382286 /nfs/dbraw/zinc/38/22/86/978382286.db2.gz QTQMTCBJVOCFMB-BDAKNGLRSA-N 1 2 208.236 1.417 20 0 BDADLO Cc1cccnc1[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001337565247 978409638 /nfs/dbraw/zinc/40/96/38/978409638.db2.gz SMGPHTBBNNCFAZ-JTQLQIEISA-N 1 2 244.298 1.533 20 0 BDADLO CC1(C)CC[N@H+](Cc2nc3ccccn3n2)C1 ZINC001233068609 978451878 /nfs/dbraw/zinc/45/18/78/978451878.db2.gz CATNQBUHUNAPBL-UHFFFAOYSA-N 1 2 230.315 1.961 20 0 BDADLO CC1(C)CC[N@@H+](Cc2nc3ccccn3n2)C1 ZINC001233068609 978451894 /nfs/dbraw/zinc/45/18/94/978451894.db2.gz CATNQBUHUNAPBL-UHFFFAOYSA-N 1 2 230.315 1.961 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1F)n1cc[nH+]c1 ZINC001177926875 978471733 /nfs/dbraw/zinc/47/17/33/978471733.db2.gz PTGJVYHTOXPPLR-GMTAPVOTSA-N 1 2 239.294 1.841 20 0 BDADLO C[C@H](C(=O)NC[Si](C)(C)C)n1cc[nH+]c1 ZINC001177926945 978474493 /nfs/dbraw/zinc/47/44/93/978474493.db2.gz MPYMMMBZWXSWBI-SECBINFHSA-N 1 2 225.368 1.438 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(F)(F)F ZINC001177930052 978479116 /nfs/dbraw/zinc/47/91/16/978479116.db2.gz XRUQKGNLVPPKEY-HTQZYQBOSA-N 1 2 249.236 1.901 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C2(CC2)C1 ZINC001177998049 978483359 /nfs/dbraw/zinc/48/33/59/978483359.db2.gz LTGIRJLQUNMPRH-JTQLQIEISA-N 1 2 233.315 1.743 20 0 BDADLO Cc1cc(F)cc(N(C)Cc2cc[nH]n2)[nH+]1 ZINC001337772044 978491733 /nfs/dbraw/zinc/49/17/33/978491733.db2.gz MPQQVRWWKHADTH-UHFFFAOYSA-N 1 2 220.251 1.889 20 0 BDADLO Cc1c[nH]c(=O)c(C[NH+]2CC3(CCO3)C2)c1 ZINC001233194878 978493104 /nfs/dbraw/zinc/49/31/04/978493104.db2.gz FQXLNSFMUPRKGC-UHFFFAOYSA-N 1 2 220.272 1.070 20 0 BDADLO O=C(Nc1ccc[nH]1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178101666 978505880 /nfs/dbraw/zinc/50/58/80/978505880.db2.gz CVXPGHXMNPJJNU-VIFPVBQESA-N 1 2 230.271 1.412 20 0 BDADLO c1nn2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001233240046 978512434 /nfs/dbraw/zinc/51/24/34/978512434.db2.gz FNURXVUQWIWFQM-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO c1nn2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001233240046 978512436 /nfs/dbraw/zinc/51/24/36/978512436.db2.gz FNURXVUQWIWFQM-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H](c2ccccn2)C2CC2)C1 ZINC001178241978 978528584 /nfs/dbraw/zinc/52/85/84/978528584.db2.gz HQSICFCRTCONMQ-CYBMUJFWSA-N 1 2 245.326 1.005 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2c[nH]nc2C)[nH]1 ZINC001178382170 978553938 /nfs/dbraw/zinc/55/39/38/978553938.db2.gz BWVZGAXUSZXLQK-QMMMGPOBSA-N 1 2 234.307 1.249 20 0 BDADLO C[C@H](c1nc(Cc2ccon2)no1)n1cc[nH+]c1 ZINC001337916158 978563243 /nfs/dbraw/zinc/56/32/43/978563243.db2.gz IIUZJGRNKQXAJN-MRVPVSSYSA-N 1 2 245.242 1.454 20 0 BDADLO CCc1ccc(N2CCO[C@H]([C@@H](C)O)C2)[nH+]c1 ZINC001337910132 978563560 /nfs/dbraw/zinc/56/35/60/978563560.db2.gz MZDPIWYJTPMRSZ-PWSUYJOCSA-N 1 2 236.315 1.230 20 0 BDADLO CCc1ccc(N2C[C@H](O)C(C)(C)C2)[nH+]c1 ZINC001337962332 978580258 /nfs/dbraw/zinc/58/02/58/978580258.db2.gz NCRVAGCCSVWFIO-NSHDSACASA-N 1 2 220.316 1.851 20 0 BDADLO Nc1cccc(CN2CCc3ncncc3C2)[nH+]1 ZINC001233371134 978583445 /nfs/dbraw/zinc/58/34/45/978583445.db2.gz AOEJDVDTYSIOFA-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cc[nH]c(=O)c2)c[nH+]1 ZINC001178670422 978605154 /nfs/dbraw/zinc/60/51/54/978605154.db2.gz YNPWQONYCPPZLD-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cc[nH]c(=O)c2)[nH+]1 ZINC001178670422 978605159 /nfs/dbraw/zinc/60/51/59/978605159.db2.gz YNPWQONYCPPZLD-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO Cc1cnc(C)c(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001178690209 978609914 /nfs/dbraw/zinc/60/99/14/978609914.db2.gz PZZGLELFYAZAJI-NSHDSACASA-N 1 2 248.330 1.516 20 0 BDADLO Cc1cnc(C)c(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001178690209 978609920 /nfs/dbraw/zinc/60/99/20/978609920.db2.gz PZZGLELFYAZAJI-NSHDSACASA-N 1 2 248.330 1.516 20 0 BDADLO Cc1nc([C@H](C)NCc2c(C)cc[nH+]c2N)no1 ZINC001338273231 978650780 /nfs/dbraw/zinc/65/07/80/978650780.db2.gz FKRWINLMUHBIDH-QMMMGPOBSA-N 1 2 247.302 1.514 20 0 BDADLO O=CNc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC001179070017 978663118 /nfs/dbraw/zinc/66/31/18/978663118.db2.gz FOEKUHBYGLGHTR-UHFFFAOYSA-N 1 2 244.254 1.090 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@H](O)C(C)C)[nH+]1 ZINC001179092570 978667494 /nfs/dbraw/zinc/66/74/94/978667494.db2.gz QDCILLGEAZMAIG-SNVBAGLBSA-N 1 2 239.319 1.166 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@H](O)C(C)C)c[nH+]1 ZINC001179092570 978667501 /nfs/dbraw/zinc/66/75/01/978667501.db2.gz QDCILLGEAZMAIG-SNVBAGLBSA-N 1 2 239.319 1.166 20 0 BDADLO Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1C(=O)[O-] ZINC001600207797 978676806 /nfs/dbraw/zinc/67/68/06/978676806.db2.gz MWDAWAKNWACKLO-GFCCVEGCSA-N 1 2 248.326 1.535 20 0 BDADLO Cc1cc(OC2C[NH+](C)C2)cc2n[nH]cc21 ZINC001233739707 978684200 /nfs/dbraw/zinc/68/42/00/978684200.db2.gz RKBICHICCFYVDJ-UHFFFAOYSA-N 1 2 217.272 1.564 20 0 BDADLO CC[C@@H](O)C(=O)Oc1ccc2[nH+]ccn2c1 ZINC001233748360 978685624 /nfs/dbraw/zinc/68/56/24/978685624.db2.gz IHNKGEMCPURPCY-SECBINFHSA-N 1 2 220.228 1.011 20 0 BDADLO c1cc(C[NH+]2CCN(c3ccncn3)CC2)co1 ZINC001204244339 978703471 /nfs/dbraw/zinc/70/34/71/978703471.db2.gz ZJJWCSCYHORUPT-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CCOCCc1cc[nH+]c(N2CCOCC2)c1 ZINC001249943744 978747982 /nfs/dbraw/zinc/74/79/82/978747982.db2.gz PWJPCRGSJPUUJF-UHFFFAOYSA-N 1 2 236.315 1.497 20 0 BDADLO CC(C)C(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001234074075 978766776 /nfs/dbraw/zinc/76/67/76/978766776.db2.gz CDLWPUWSNOHGJL-UHFFFAOYSA-N 1 2 239.319 1.269 20 0 BDADLO CC(C)C(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001234074075 978766783 /nfs/dbraw/zinc/76/67/83/978766783.db2.gz CDLWPUWSNOHGJL-UHFFFAOYSA-N 1 2 239.319 1.269 20 0 BDADLO CN(C)c1ccnc(Cl)c1C[NH+](C)C ZINC001234097387 978775235 /nfs/dbraw/zinc/77/52/35/978775235.db2.gz VGODZWOXHKANLE-UHFFFAOYSA-N 1 2 213.712 1.863 20 0 BDADLO C[NH+]1CC(Oc2nc(Cl)nc3[nH]ccc32)C1 ZINC001234474978 978846641 /nfs/dbraw/zinc/84/66/41/978846641.db2.gz BLJSKKONEXJZPG-UHFFFAOYSA-N 1 2 238.678 1.304 20 0 BDADLO C[NH+]1CC(Oc2cc3[nH]ccc3cn2)C1 ZINC001234527435 978855024 /nfs/dbraw/zinc/85/50/24/978855024.db2.gz BPCNIWNOBOULAW-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO Cc1cc(OC2C[NH+](C)C2)cc(Cl)n1 ZINC001234615560 978860303 /nfs/dbraw/zinc/86/03/03/978860303.db2.gz NCXSIJUSXSOWMJ-UHFFFAOYSA-N 1 2 212.680 1.736 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C(F)F)n1cc[nH+]c1 ZINC001339586582 978875327 /nfs/dbraw/zinc/87/53/27/978875327.db2.gz PQDXMGAKGNIYSS-SSDOTTSWSA-N 1 2 231.246 1.604 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCOCC3)c(C)[nH+]1 ZINC001234627105 978876968 /nfs/dbraw/zinc/87/69/68/978876968.db2.gz JUHRJOSAFAFCRU-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001339633154 978883060 /nfs/dbraw/zinc/88/30/60/978883060.db2.gz GNRMCPVECFZGCB-WOPDTQHZSA-N 1 2 235.331 1.997 20 0 BDADLO CCc1ccc(N2CC[C@H](n3cncn3)C2)[nH+]c1 ZINC001339665217 978891851 /nfs/dbraw/zinc/89/18/51/978891851.db2.gz DOVIXVISAQAMNI-LBPRGKRZSA-N 1 2 243.314 1.687 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(N)nc[nH+]1 ZINC001339692618 978894571 /nfs/dbraw/zinc/89/45/71/978894571.db2.gz SMKSYIAFFUQWSX-RNFRBKRXSA-N 1 2 246.236 1.836 20 0 BDADLO Nc1cc(N2CC[C@@H](c3ccccn3)C2)[nH+]cn1 ZINC001339706856 978896681 /nfs/dbraw/zinc/89/66/81/978896681.db2.gz OCRDJHUTEXUKTB-SNVBAGLBSA-N 1 2 241.298 1.448 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1ncc(F)cn1 ZINC001235000772 978947880 /nfs/dbraw/zinc/94/78/80/978947880.db2.gz QFCQDOHUPMVVCN-SNVBAGLBSA-N 1 2 225.267 1.227 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1ncc(F)cn1 ZINC001235000772 978947887 /nfs/dbraw/zinc/94/78/87/978947887.db2.gz QFCQDOHUPMVVCN-SNVBAGLBSA-N 1 2 225.267 1.227 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001235005272 978948707 /nfs/dbraw/zinc/94/87/07/978948707.db2.gz MDBUJEGRSBMSNJ-SNVBAGLBSA-N 1 2 239.294 1.210 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001235005272 978948710 /nfs/dbraw/zinc/94/87/10/978948710.db2.gz MDBUJEGRSBMSNJ-SNVBAGLBSA-N 1 2 239.294 1.210 20 0 BDADLO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ncc(F)cn1 ZINC001235008054 978949718 /nfs/dbraw/zinc/94/97/18/978949718.db2.gz VCGRQOMMPSYAPS-NXEZZACHSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ncc(F)cn1 ZINC001235008054 978949721 /nfs/dbraw/zinc/94/97/21/978949721.db2.gz VCGRQOMMPSYAPS-NXEZZACHSA-N 1 2 239.294 1.209 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2cc(CO)on2)cn1 ZINC001339981972 978952375 /nfs/dbraw/zinc/95/23/75/978952375.db2.gz VELHXCUFCKHAQF-SNVBAGLBSA-N 1 2 247.298 1.721 20 0 BDADLO OCC[C@@H]1CCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235012152 978952596 /nfs/dbraw/zinc/95/25/96/978952596.db2.gz YGTKQCKAIWPGBG-JTQLQIEISA-N 1 2 239.294 1.210 20 0 BDADLO OCC[C@@H]1CCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235012152 978952601 /nfs/dbraw/zinc/95/26/01/978952601.db2.gz YGTKQCKAIWPGBG-JTQLQIEISA-N 1 2 239.294 1.210 20 0 BDADLO Cc1cc(C[S@](=O)Cc2c[nH+]cn2C)on1 ZINC001340276177 979003062 /nfs/dbraw/zinc/00/30/62/979003062.db2.gz KJRRESCWALXEBX-MRXNPFEDSA-N 1 2 239.300 1.165 20 0 BDADLO CCc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC001235252989 979005776 /nfs/dbraw/zinc/00/57/76/979005776.db2.gz HEWZAZXNHHFVMW-MFKMUULPSA-N 1 2 238.306 1.549 20 0 BDADLO CCc1cccc(C[N@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC001235252989 979005779 /nfs/dbraw/zinc/00/57/79/979005779.db2.gz HEWZAZXNHHFVMW-MFKMUULPSA-N 1 2 238.306 1.549 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001235327605 979023949 /nfs/dbraw/zinc/02/39/49/979023949.db2.gz GEVHFUBHKKSCBT-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001235327605 979023952 /nfs/dbraw/zinc/02/39/52/979023952.db2.gz GEVHFUBHKKSCBT-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO C[N@H+](Cc1ncc(Cl)cn1)[C@@H]1CCCOC1 ZINC001235426450 979042962 /nfs/dbraw/zinc/04/29/62/979042962.db2.gz OKXZIRXKZKVRIC-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccn1C(F)F ZINC001181444862 979099683 /nfs/dbraw/zinc/09/96/83/979099683.db2.gz HEQKQLKONVONNB-UHFFFAOYSA-N 1 2 231.246 1.190 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccn1C(F)F ZINC001181444862 979099690 /nfs/dbraw/zinc/09/96/90/979099690.db2.gz HEQKQLKONVONNB-UHFFFAOYSA-N 1 2 231.246 1.190 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H]2[NH2+]CCc3occc32)n1 ZINC001340875870 979138747 /nfs/dbraw/zinc/13/87/47/979138747.db2.gz KJECKDMUDFXWDP-JTQLQIEISA-N 1 2 246.270 1.137 20 0 BDADLO CO[C@H](C)CC(=O)NCCOc1cc[nH+]cc1 ZINC001181607601 979203165 /nfs/dbraw/zinc/20/31/65/979203165.db2.gz JBEMGTKHHKNPDX-SNVBAGLBSA-N 1 2 238.287 1.002 20 0 BDADLO OCCCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001235947228 979217081 /nfs/dbraw/zinc/21/70/81/979217081.db2.gz YYPQOPHYNREJLM-CYBMUJFWSA-N 1 2 236.315 1.227 20 0 BDADLO OCCCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001235947228 979217096 /nfs/dbraw/zinc/21/70/96/979217096.db2.gz YYPQOPHYNREJLM-CYBMUJFWSA-N 1 2 236.315 1.227 20 0 BDADLO CCC1(CC)C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC001181888760 979359566 /nfs/dbraw/zinc/35/95/66/979359566.db2.gz XVKMKJVWWHIATQ-LBPRGKRZSA-N 1 2 249.358 1.905 20 0 BDADLO COc1cncc(NC(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC001341502698 979440693 /nfs/dbraw/zinc/44/06/93/979440693.db2.gz NYURSKQEFWJFBL-MRVPVSSYSA-N 1 2 245.229 1.011 20 0 BDADLO CNc1ccccc1C[NH+]1CC(NC(=O)OC)C1 ZINC001182226354 979480226 /nfs/dbraw/zinc/48/02/26/979480226.db2.gz IZLZJTOZSJBADJ-UHFFFAOYSA-N 1 2 249.314 1.269 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)n[nH]1 ZINC001341604216 979487115 /nfs/dbraw/zinc/48/71/15/979487115.db2.gz GITJUSDZIAQDDD-ZYHUDNBSSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)n[nH]1 ZINC001341604216 979487121 /nfs/dbraw/zinc/48/71/21/979487121.db2.gz GITJUSDZIAQDDD-ZYHUDNBSSA-N 1 2 223.320 1.311 20 0 BDADLO CCc1nnc(C[N@H+](C)CCc2cnccn2)o1 ZINC001341643857 979506324 /nfs/dbraw/zinc/50/63/24/979506324.db2.gz GEZPZCZRNYYGFY-UHFFFAOYSA-N 1 2 247.302 1.097 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCc2cnccn2)o1 ZINC001341643857 979506330 /nfs/dbraw/zinc/50/63/30/979506330.db2.gz GEZPZCZRNYYGFY-UHFFFAOYSA-N 1 2 247.302 1.097 20 0 BDADLO Nc1ccc(-c2ccc(-n3ccnn3)cc2)c[nH+]1 ZINC001236311651 979518540 /nfs/dbraw/zinc/51/85/40/979518540.db2.gz FRYUFCZVSSFDEE-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO NC(=S)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236317144 979529890 /nfs/dbraw/zinc/52/98/90/979529890.db2.gz QHROJNFSKYHRDS-UHFFFAOYSA-N 1 2 229.308 1.965 20 0 BDADLO C[NH+]1CC(NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001182605107 979580535 /nfs/dbraw/zinc/58/05/35/979580535.db2.gz DSULWTCZEHPGKE-UHFFFAOYSA-N 1 2 246.354 1.686 20 0 BDADLO C[C@@](CCF)([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC001604139609 979581833 /nfs/dbraw/zinc/58/18/33/979581833.db2.gz NRASRURLEVXZTH-NSHDSACASA-N 1 2 243.282 1.066 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604246452 979605550 /nfs/dbraw/zinc/60/55/50/979605550.db2.gz CCOZLYDSWNPZEH-MXWKQRLJSA-N 1 2 237.303 1.115 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)[O-])[nH]1 ZINC001604248157 979607311 /nfs/dbraw/zinc/60/73/11/979607311.db2.gz XXUHLSBAFHZNIC-VIFPVBQESA-N 1 2 248.286 1.088 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)cn1 ZINC001182829011 979654606 /nfs/dbraw/zinc/65/46/06/979654606.db2.gz RQHRIHHCPIUIOC-NSHDSACASA-N 1 2 234.303 1.206 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)cn1 ZINC001182829011 979654619 /nfs/dbraw/zinc/65/46/19/979654619.db2.gz RQHRIHHCPIUIOC-NSHDSACASA-N 1 2 234.303 1.206 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614107 979679615 /nfs/dbraw/zinc/67/96/15/979679615.db2.gz OJBRDUVHUSQAMO-QMMMGPOBSA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614107 979679618 /nfs/dbraw/zinc/67/96/18/979679618.db2.gz OJBRDUVHUSQAMO-QMMMGPOBSA-N 1 2 227.695 1.351 20 0 BDADLO Cc1c[nH]c(CCNC(=O)CC(F)F)[nH+]1 ZINC001182966678 979686414 /nfs/dbraw/zinc/68/64/14/979686414.db2.gz SBXMANHUBHAYCN-UHFFFAOYSA-N 1 2 217.219 1.032 20 0 BDADLO OC1C[NH+](Cc2cccc3occc32)C1 ZINC001236736141 979691674 /nfs/dbraw/zinc/69/16/74/979691674.db2.gz YXLKWUFGBTWFAW-UHFFFAOYSA-N 1 2 203.241 1.609 20 0 BDADLO Cc1sccc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001342285435 979752408 /nfs/dbraw/zinc/75/24/08/979752408.db2.gz RCOGCQFHKUSFCZ-ZCFIWIBFSA-N 1 2 234.271 1.978 20 0 BDADLO Cc1cccc(CC(=O)NC2C[NH+](C)C2)c1C ZINC001183259480 979806320 /nfs/dbraw/zinc/80/63/20/979806320.db2.gz CSWKYMCKHRKOOF-UHFFFAOYSA-N 1 2 232.327 1.276 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CC1OC=CC1=S ZINC001237190527 979840410 /nfs/dbraw/zinc/84/04/10/979840410.db2.gz IGLMGUQITAKPSD-SSDOTTSWSA-N 1 2 229.301 1.562 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CC1OC=CC1=S ZINC001237190527 979840413 /nfs/dbraw/zinc/84/04/13/979840413.db2.gz IGLMGUQITAKPSD-SSDOTTSWSA-N 1 2 229.301 1.562 20 0 BDADLO CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605275747 979847574 /nfs/dbraw/zinc/84/75/74/979847574.db2.gz BWXCGDFIABGKOO-VXGBXAGGSA-N 1 2 242.363 1.561 20 0 BDADLO CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605275747 979847582 /nfs/dbraw/zinc/84/75/82/979847582.db2.gz BWXCGDFIABGKOO-VXGBXAGGSA-N 1 2 242.363 1.561 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC001237222739 979854832 /nfs/dbraw/zinc/85/48/32/979854832.db2.gz JJYODQYNUABMOA-ZDUSSCGKSA-N 1 2 234.299 1.059 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC001237222739 979854836 /nfs/dbraw/zinc/85/48/36/979854836.db2.gz JJYODQYNUABMOA-ZDUSSCGKSA-N 1 2 234.299 1.059 20 0 BDADLO C[C@@H]1CC[N@@H+]1Cc1cc2ccccn2n1 ZINC001237438893 979891129 /nfs/dbraw/zinc/89/11/29/979891129.db2.gz MXEWICGENKITCL-SNVBAGLBSA-N 1 2 201.273 1.929 20 0 BDADLO C[C@@H]1CC[N@H+]1Cc1cc2ccccn2n1 ZINC001237438893 979891137 /nfs/dbraw/zinc/89/11/37/979891137.db2.gz MXEWICGENKITCL-SNVBAGLBSA-N 1 2 201.273 1.929 20 0 BDADLO CC(C)[C@@H](C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183929589 979910698 /nfs/dbraw/zinc/91/06/98/979910698.db2.gz PNFKJJVHLCXOHR-SNVBAGLBSA-N 1 2 235.331 1.757 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)ccn2n1 ZINC001237547189 979936217 /nfs/dbraw/zinc/93/62/17/979936217.db2.gz SRQGZJZLCAHMCY-ZIAGYGMSSA-N 1 2 243.310 1.698 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)ccn2n1 ZINC001237547189 979936223 /nfs/dbraw/zinc/93/62/23/979936223.db2.gz SRQGZJZLCAHMCY-ZIAGYGMSSA-N 1 2 243.310 1.698 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1nncn1C ZINC001342933270 979946773 /nfs/dbraw/zinc/94/67/73/979946773.db2.gz VUQDRHOGVHLPPJ-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001237637159 979990882 /nfs/dbraw/zinc/99/08/82/979990882.db2.gz FORHKXNMBOKRDC-MNOVXSKESA-N 1 2 222.288 1.594 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001237637159 979990891 /nfs/dbraw/zinc/99/08/91/979990891.db2.gz FORHKXNMBOKRDC-MNOVXSKESA-N 1 2 222.288 1.594 20 0 BDADLO CC[C@H](C)C(=O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184316061 980004762 /nfs/dbraw/zinc/00/47/62/980004762.db2.gz DNFPUSYZWXBPGD-VIFPVBQESA-N 1 2 246.310 1.546 20 0 BDADLO CC(C)CC(=O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001184324128 980022773 /nfs/dbraw/zinc/02/27/73/980022773.db2.gz GUWXVCGMYTUPIS-UHFFFAOYSA-N 1 2 245.282 1.888 20 0 BDADLO COc1ccc(C)c(C[NH+]2CC(NC(C)=O)C2)c1 ZINC001237713391 980032379 /nfs/dbraw/zinc/03/23/79/980032379.db2.gz MEFWWKQZHHONTL-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[NH+]2CC(O)C2)c1 ZINC001237715904 980037041 /nfs/dbraw/zinc/03/70/41/980037041.db2.gz WWTJJRNTERJOBN-UHFFFAOYSA-N 1 2 207.273 1.180 20 0 BDADLO C[C@]1(C(=O)Nc2cc[nH+]c3c2CCC3)CCOC1 ZINC001184371927 980069170 /nfs/dbraw/zinc/06/91/70/980069170.db2.gz UWSVKNHUKJIEIX-AWEZNQCLSA-N 1 2 246.310 1.357 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)ccc1F ZINC001237820253 980073797 /nfs/dbraw/zinc/07/37/97/980073797.db2.gz NQLRETOAFTTWPD-PHIMTYICSA-N 1 2 248.301 1.940 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)ccc1F ZINC001237820253 980073806 /nfs/dbraw/zinc/07/38/06/980073806.db2.gz NQLRETOAFTTWPD-PHIMTYICSA-N 1 2 248.301 1.940 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2c[nH]ccc2=O)C[C@@H]1F ZINC001237835093 980077301 /nfs/dbraw/zinc/07/73/01/980077301.db2.gz OCXHTXZUVQNHDK-RYUDHWBXSA-N 1 2 242.269 1.647 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2c[nH]ccc2=O)C[C@@H]1F ZINC001237835093 980077309 /nfs/dbraw/zinc/07/73/09/980077309.db2.gz OCXHTXZUVQNHDK-RYUDHWBXSA-N 1 2 242.269 1.647 20 0 BDADLO C[N@H+](Cc1cncs1)Cc1c[nH]ccc1=O ZINC001237841993 980090193 /nfs/dbraw/zinc/09/01/93/980090193.db2.gz GQMZZZMQXOWEKG-UHFFFAOYSA-N 1 2 235.312 1.463 20 0 BDADLO C[N@@H+](Cc1cncs1)Cc1c[nH]ccc1=O ZINC001237841993 980090204 /nfs/dbraw/zinc/09/02/04/980090204.db2.gz GQMZZZMQXOWEKG-UHFFFAOYSA-N 1 2 235.312 1.463 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1C ZINC001238095446 980147685 /nfs/dbraw/zinc/14/76/85/980147685.db2.gz PDXQRYKGKRKGBN-ZDUSSCGKSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1C ZINC001238095446 980147689 /nfs/dbraw/zinc/14/76/89/980147689.db2.gz PDXQRYKGKRKGBN-ZDUSSCGKSA-N 1 2 249.310 1.838 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNC(=O)CC2(C)CCC2)C1 ZINC001185103208 980164341 /nfs/dbraw/zinc/16/43/41/980164341.db2.gz IIDWKYKBRGCATP-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCO[C@@H](CNC(=O)CC2(C)CCC2)C1 ZINC001185103208 980164346 /nfs/dbraw/zinc/16/43/46/980164346.db2.gz IIDWKYKBRGCATP-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1[nH+]cc(NC(=O)Nc2cccnc2)n1C ZINC001185659404 980266227 /nfs/dbraw/zinc/26/62/27/980266227.db2.gz ZVQDXTPSQRQNKV-UHFFFAOYSA-N 1 2 231.259 1.768 20 0 BDADLO CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001343920690 980275228 /nfs/dbraw/zinc/27/52/28/980275228.db2.gz XCYRHSMOPOWAMK-XHNCKOQMSA-N 1 2 248.317 1.910 20 0 BDADLO Cc1ncncc1C(=O)OCCCn1cc[nH+]c1 ZINC001343937205 980280681 /nfs/dbraw/zinc/28/06/81/980280681.db2.gz LZKJNULJUNEBCA-UHFFFAOYSA-N 1 2 246.270 1.229 20 0 BDADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cn[nH]c1 ZINC001343959263 980294438 /nfs/dbraw/zinc/29/44/38/980294438.db2.gz DQWJCFWFDKRPSC-VIFPVBQESA-N 1 2 246.318 1.188 20 0 BDADLO CCN(C(=O)NC1CCCC1)C1C[NH+](C)C1 ZINC001185894655 980299673 /nfs/dbraw/zinc/29/96/73/980299673.db2.gz NYGJHNSFAGBEKM-UHFFFAOYSA-N 1 2 225.336 1.275 20 0 BDADLO Cc1[nH]cnc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344112261 980349491 /nfs/dbraw/zinc/34/94/91/980349491.db2.gz VXYOYCMEIBSRJX-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO F[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1F ZINC000334808600 980412189 /nfs/dbraw/zinc/41/21/89/980412189.db2.gz DOGHJGAIUUQNHM-PHIMTYICSA-N 1 2 219.275 1.795 20 0 BDADLO F[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1F ZINC000334808600 980412192 /nfs/dbraw/zinc/41/21/92/980412192.db2.gz DOGHJGAIUUQNHM-PHIMTYICSA-N 1 2 219.275 1.795 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(CCO)c1 ZINC001239030199 980415239 /nfs/dbraw/zinc/41/52/39/980415239.db2.gz NWYMHQAYTSVXGF-UHFFFAOYSA-N 1 2 202.257 1.622 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC/C=C\C2CC2)c1 ZINC001344555807 980422953 /nfs/dbraw/zinc/42/29/53/980422953.db2.gz YPRVZLLDLDKMEN-IHWYPQMZSA-N 1 2 248.330 1.228 20 0 BDADLO CCOCc1ccc(C(=O)NC2C[NH+](C)C2)cc1 ZINC001187110782 980477724 /nfs/dbraw/zinc/47/77/24/980477724.db2.gz DKHZIJKLFBMZHX-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO CC(C)C(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000271031142 980536955 /nfs/dbraw/zinc/53/69/55/980536955.db2.gz HLERSKVKRXXCBH-UHFFFAOYSA-N 1 2 235.331 1.315 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC001187738346 980545250 /nfs/dbraw/zinc/54/52/50/980545250.db2.gz VCHKSYWZLVKTNK-UHFFFAOYSA-N 1 2 245.286 1.084 20 0 BDADLO Cn1nccc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345253372 980590585 /nfs/dbraw/zinc/59/05/85/980590585.db2.gz QWMSJILINDKOKU-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO Cc1coc(C(=O)NCCn2cc[nH+]c2)c1C ZINC001345381354 980604887 /nfs/dbraw/zinc/60/48/87/980604887.db2.gz RBEKONRBVVVZET-UHFFFAOYSA-N 1 2 233.271 1.523 20 0 BDADLO Cc1[nH]ccc1C(=O)NCCc1[nH+]ccn1C ZINC001188167414 980609433 /nfs/dbraw/zinc/60/94/33/980609433.db2.gz RSABGJIIXCZERA-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1cc(N2CCOCC2)[nH+]cc1C1=CCOC1 ZINC001239482117 980629311 /nfs/dbraw/zinc/62/93/11/980629311.db2.gz PWYIVAOTRINYCE-UHFFFAOYSA-N 1 2 246.310 1.640 20 0 BDADLO CC(C)n1nccc1CC[NH+]1CCOCC1 ZINC001250277857 980651502 /nfs/dbraw/zinc/65/15/02/980651502.db2.gz QKOBGHMPOSLFCY-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cn1cccc1-c1nnc([C@@H]2C[N@H+](C)CCO2)o1 ZINC001345842692 980697028 /nfs/dbraw/zinc/69/70/28/980697028.db2.gz TVPAXHSNJSBNPA-JTQLQIEISA-N 1 2 248.286 1.078 20 0 BDADLO Cn1cccc1-c1nnc([C@@H]2C[N@@H+](C)CCO2)o1 ZINC001345842692 980697034 /nfs/dbraw/zinc/69/70/34/980697034.db2.gz TVPAXHSNJSBNPA-JTQLQIEISA-N 1 2 248.286 1.078 20 0 BDADLO COc1ccc(CCn2cc[nH+]c2)cc1CO ZINC001250316311 980746948 /nfs/dbraw/zinc/74/69/48/980746948.db2.gz IEXAUSCMIPSZCY-UHFFFAOYSA-N 1 2 232.283 1.627 20 0 BDADLO Cc1cc(F)cc(C)c1C(=O)NC1C[NH+](C)C1 ZINC001189297504 980764357 /nfs/dbraw/zinc/76/43/57/980764357.db2.gz BGTDZAOILCEFAB-UHFFFAOYSA-N 1 2 236.290 1.486 20 0 BDADLO CCN(C(=O)Nc1nccs1)C1C[NH+](C)C1 ZINC001189375263 980781032 /nfs/dbraw/zinc/78/10/32/980781032.db2.gz ZOGVMILQYYNTAL-UHFFFAOYSA-N 1 2 240.332 1.311 20 0 BDADLO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nncn1C ZINC001346243537 980796875 /nfs/dbraw/zinc/79/68/75/980796875.db2.gz GTRIXJVPRGTIOL-VIFPVBQESA-N 1 2 248.334 1.135 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1noc(C(F)F)n1 ZINC001346312154 980808319 /nfs/dbraw/zinc/80/83/19/980808319.db2.gz ISVYFIYRKOQSAA-IYSWYEEDSA-N 1 2 247.245 1.429 20 0 BDADLO CN(C)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190075552 980848262 /nfs/dbraw/zinc/84/82/62/980848262.db2.gz XHMPKVCIXQWCHC-UHFFFAOYSA-N 1 2 215.256 1.574 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001346862095 980920270 /nfs/dbraw/zinc/92/02/70/980920270.db2.gz WCXVYVWDMKZQFQ-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CCCN(C(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001346970460 980940572 /nfs/dbraw/zinc/94/05/72/980940572.db2.gz IYYNVYUJZOSHSZ-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO CNC(=O)c1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001239851679 980991860 /nfs/dbraw/zinc/99/18/60/980991860.db2.gz RJLZHTAPFSIXKX-UHFFFAOYSA-N 1 2 228.255 1.085 20 0 BDADLO CN(Cc1ccccn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001347191429 981007104 /nfs/dbraw/zinc/00/71/04/981007104.db2.gz IWNBJWMWGNWQTB-UHFFFAOYSA-N 1 2 230.271 1.006 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](CO)CC(C)C)n[nH]1 ZINC001347234083 981018495 /nfs/dbraw/zinc/01/84/95/981018495.db2.gz JCKFMQPSVOQMQN-LBPRGKRZSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](CO)CC(C)C)n[nH]1 ZINC001347234083 981018504 /nfs/dbraw/zinc/01/85/04/981018504.db2.gz JCKFMQPSVOQMQN-LBPRGKRZSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1cccn2c(CNC(=O)NC3CC3)c[nH+]c12 ZINC001191490210 981045612 /nfs/dbraw/zinc/04/56/12/981045612.db2.gz VLVYVTPKTKURRB-UHFFFAOYSA-N 1 2 244.298 1.604 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCc1ccsc1 ZINC001347336795 981050923 /nfs/dbraw/zinc/05/09/23/981050923.db2.gz ZEEKFUKTQHSTCB-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO CC(C)n1c[nH+]cc1CNC(=O)NC1CC1 ZINC001191504249 981059987 /nfs/dbraw/zinc/05/99/87/981059987.db2.gz UYHNTGLJHHWOCU-UHFFFAOYSA-N 1 2 222.292 1.426 20 0 BDADLO Cc1nc(CN2CC[NH+](C(C)(C)C)CC2)n[nH]1 ZINC001347538972 981110341 /nfs/dbraw/zinc/11/03/41/981110341.db2.gz NEJSUZNBLRYKLW-UHFFFAOYSA-N 1 2 237.351 1.029 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735883 981157087 /nfs/dbraw/zinc/15/70/87/981157087.db2.gz PFJRBWVFFNZAPE-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735884 981157422 /nfs/dbraw/zinc/15/74/22/981157422.db2.gz PFJRBWVFFNZAPE-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO Nc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240214187 981162513 /nfs/dbraw/zinc/16/25/13/981162513.db2.gz KSYTUHGZOSSNSN-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO c1cn2cc(-c3cnc4n[nH]nc4c3)ccc2[nH+]1 ZINC001240217803 981166675 /nfs/dbraw/zinc/16/66/75/981166675.db2.gz OPQSVZISBBLDSC-UHFFFAOYSA-N 1 2 236.238 1.668 20 0 BDADLO c1cn2cc(-c3cncc4nnoc43)ccc2[nH+]1 ZINC001240220655 981173804 /nfs/dbraw/zinc/17/38/04/981173804.db2.gz KHQUMZHQAFSKQJ-UHFFFAOYSA-N 1 2 237.222 1.933 20 0 BDADLO CO[C@]1(C)C[C@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC001347851360 981197809 /nfs/dbraw/zinc/19/78/09/981197809.db2.gz XKBNGHGSTAHOFE-GXSJLCMTSA-N 1 2 224.308 1.098 20 0 BDADLO CO[C@]1(C)C[C@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC001347851360 981197817 /nfs/dbraw/zinc/19/78/17/981197817.db2.gz XKBNGHGSTAHOFE-GXSJLCMTSA-N 1 2 224.308 1.098 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@](C)(F)C1)n1cc[nH+]c1 ZINC001347860188 981200840 /nfs/dbraw/zinc/20/08/40/981200840.db2.gz CILRJYKQUGVWHO-JQWIXIFHSA-N 1 2 239.294 1.795 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]C(C)(C)c2cnn(C)c2)[nH]1 ZINC001193155049 981257384 /nfs/dbraw/zinc/25/73/84/981257384.db2.gz REFZKHUZIXIJBW-QMMMGPOBSA-N 1 2 248.334 1.433 20 0 BDADLO CNc1cc(CNC(=O)NC[C@H]2C[C@@H]2C)cc[nH+]1 ZINC001348068637 981274508 /nfs/dbraw/zinc/27/45/08/981274508.db2.gz NIOIKTGIGMIBGJ-GXSJLCMTSA-N 1 2 248.330 1.579 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1cnn[nH]1 ZINC001193293557 981285188 /nfs/dbraw/zinc/28/51/88/981285188.db2.gz NJLOQCKXDJLTTF-SECBINFHSA-N 1 2 231.303 1.613 20 0 BDADLO COc1cc(-c2c[nH+]c(N)c(C)c2)c(OC)nn1 ZINC001240327897 981295047 /nfs/dbraw/zinc/29/50/47/981295047.db2.gz WDRWQHYAGSLUEK-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCCc2[nH+]ccn2C)C1 ZINC001348228579 981313013 /nfs/dbraw/zinc/31/30/13/981313013.db2.gz IWQQVDYLAZBEAS-OCUQMRJBSA-N 1 2 247.342 1.825 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1CC2(CC2)C1 ZINC001348253828 981318912 /nfs/dbraw/zinc/31/89/12/981318912.db2.gz DPMUZVXRWMFFJM-UHFFFAOYSA-N 1 2 233.315 1.269 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CS[C@H](C)C1)n1cc[nH+]c1 ZINC001348476366 981368984 /nfs/dbraw/zinc/36/89/84/981368984.db2.gz OLTFZXWDSQXLPU-BBBLOLIVSA-N 1 2 239.344 1.454 20 0 BDADLO CN(C)c1nccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497038 981418544 /nfs/dbraw/zinc/41/85/44/981418544.db2.gz WPDHATSXIQFPOI-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CCn1ncc(-c2ccn3cc[nH+]c3c2)cc1=O ZINC001240513457 981438913 /nfs/dbraw/zinc/43/89/13/981438913.db2.gz SSYDJYLOFWZZDM-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO CNc1cc(CNC(=O)NCC=C(C)C)cc[nH+]1 ZINC001348763435 981439876 /nfs/dbraw/zinc/43/98/76/981439876.db2.gz VPFNPKFKCIADFJ-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO CS[C@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001349036200 981501158 /nfs/dbraw/zinc/50/11/58/981501158.db2.gz VWUDQQNFMNBYSM-SECBINFHSA-N 1 2 242.344 1.913 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+](Cc2cccc(F)c2)C1 ZINC001203784024 981507688 /nfs/dbraw/zinc/50/76/88/981507688.db2.gz AFROLYMHYVIEBG-AAEUAGOBSA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2cccc(F)c2)C1 ZINC001203784024 981507695 /nfs/dbraw/zinc/50/76/95/981507695.db2.gz AFROLYMHYVIEBG-AAEUAGOBSA-N 1 2 241.281 1.978 20 0 BDADLO CC(C)=Cc1[nH+]ncc2c1OCCN2C ZINC001240634532 981527952 /nfs/dbraw/zinc/52/79/52/981527952.db2.gz VZHRZTVXPZFSJT-UHFFFAOYSA-N 1 2 205.261 1.728 20 0 BDADLO COC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001193943122 981529903 /nfs/dbraw/zinc/52/99/03/981529903.db2.gz QHBWSQLDWLJTHD-UHFFFAOYSA-N 1 2 239.275 1.091 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC[C@H](F)C1)n1cc[nH+]c1 ZINC001349455184 981557998 /nfs/dbraw/zinc/55/79/98/981557998.db2.gz JOKYOKQKUPSJGV-OUAUKWLOSA-N 1 2 239.294 1.841 20 0 BDADLO Cc1c[nH]c(Nc2ncccc2-c2nn[nH]n2)[nH+]1 ZINC001581320142 981744806 /nfs/dbraw/zinc/74/48/06/981744806.db2.gz GJGNZVUBVAYROA-UHFFFAOYSA-N 1 2 242.246 1.037 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)COCC(F)F ZINC001349791901 981744966 /nfs/dbraw/zinc/74/49/66/981744966.db2.gz PMQLRSXNHWQLOP-UHFFFAOYSA-N 1 2 244.241 1.341 20 0 BDADLO C[C@@H](C(=O)N1Cc2ccncc2C1)n1cc[nH+]c1 ZINC001349822834 981771494 /nfs/dbraw/zinc/77/14/94/981771494.db2.gz DHGOZELSQAJDOU-JTQLQIEISA-N 1 2 242.282 1.382 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnoc2)CCCC1=O ZINC001205669984 981837528 /nfs/dbraw/zinc/83/75/28/981837528.db2.gz GABNEXRAYOKJFJ-SECBINFHSA-N 1 2 208.261 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnoc2)CCCC1=O ZINC001205669984 981837538 /nfs/dbraw/zinc/83/75/38/981837538.db2.gz GABNEXRAYOKJFJ-SECBINFHSA-N 1 2 208.261 1.476 20 0 BDADLO O=C(NCC[N@@H+]1CCC[C@H](F)C1)OCCF ZINC001194986549 982017045 /nfs/dbraw/zinc/01/70/45/982017045.db2.gz WBIAICJLHOUGOA-VIFPVBQESA-N 1 2 236.262 1.116 20 0 BDADLO O=C(NCC[N@H+]1CCC[C@H](F)C1)OCCF ZINC001194986549 982017052 /nfs/dbraw/zinc/01/70/52/982017052.db2.gz WBIAICJLHOUGOA-VIFPVBQESA-N 1 2 236.262 1.116 20 0 BDADLO CNc1cc(-c2ccn(C)c(=O)c2)cc[nH+]1 ZINC001240996248 982083428 /nfs/dbraw/zinc/08/34/28/982083428.db2.gz TZCCMQYZJQWHKF-UHFFFAOYSA-N 1 2 215.256 1.489 20 0 BDADLO C/C=C\C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001588317641 982126429 /nfs/dbraw/zinc/12/64/29/982126429.db2.gz PTVXHKUTXZHNPL-CLTKARDFSA-N 1 2 233.315 1.600 20 0 BDADLO CC[C@@H](C)OC(=O)NCc1c[nH+]cn1CCF ZINC001195153840 982136144 /nfs/dbraw/zinc/13/61/44/982136144.db2.gz NNYDBZMZDZDBFJ-SECBINFHSA-N 1 2 243.282 1.877 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCC(F)F ZINC001350977601 982143610 /nfs/dbraw/zinc/14/36/10/982143610.db2.gz KMZIDPFMLKXTJE-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO Nc1cn2ccc(-c3ccc[nH]c3=O)cc2[nH+]1 ZINC001241112772 982222569 /nfs/dbraw/zinc/22/25/69/982222569.db2.gz VBFCNFQATQYKSI-UHFFFAOYSA-N 1 2 226.239 1.684 20 0 BDADLO CCC[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195382952 982247970 /nfs/dbraw/zinc/24/79/70/982247970.db2.gz JWMCSRBJPSTRAO-GFCCVEGCSA-N 1 2 244.354 1.926 20 0 BDADLO CCC[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195382952 982247985 /nfs/dbraw/zinc/24/79/85/982247985.db2.gz JWMCSRBJPSTRAO-GFCCVEGCSA-N 1 2 244.354 1.926 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)CC1CC1)CCN2 ZINC001351287097 982272320 /nfs/dbraw/zinc/27/23/20/982272320.db2.gz DZBIBEZHKNFGAT-UHFFFAOYSA-N 1 2 231.299 1.949 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2[nH]ccc2C)[nH+]1 ZINC001195499976 982297644 /nfs/dbraw/zinc/29/76/44/982297644.db2.gz ONMLQZHUMLJRCR-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO Cc1ccc(-c2ccnc(N)c2)[nH+]c1N ZINC001241157761 982298511 /nfs/dbraw/zinc/29/85/11/982298511.db2.gz UCWOENQYDHBJHM-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO CN1Cc2c(cccc2-c2cc[nH+]c(N)c2)C1=O ZINC001241162735 982300674 /nfs/dbraw/zinc/30/06/74/982300674.db2.gz KSDZEZNRWMPRMF-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO Nc1cc(-c2c[nH]c3cc(=O)[nH]c-3c2)cc[nH+]1 ZINC001241162748 982300740 /nfs/dbraw/zinc/30/07/40/982300740.db2.gz KYBGROBJZOQXHL-UHFFFAOYSA-N 1 2 226.239 1.220 20 0 BDADLO Cc1c(-c2cc[nH+]c(N)c2)ccc2ncnn21 ZINC001241162790 982301470 /nfs/dbraw/zinc/30/14/70/982301470.db2.gz MFRWFNGNWVDOHT-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Nc1cc(-c2cnc3c(c2)NC(=O)CO3)cc[nH+]1 ZINC001241163630 982307296 /nfs/dbraw/zinc/30/72/96/982307296.db2.gz XMGMMCRKQKGCCK-UHFFFAOYSA-N 1 2 242.238 1.057 20 0 BDADLO Cn1cc(-c2cc[nH+]c(N)c2)c2cc[nH]c2c1=O ZINC001241170178 982317659 /nfs/dbraw/zinc/31/76/59/982317659.db2.gz WBNABCSOSLIRCW-UHFFFAOYSA-N 1 2 240.266 1.511 20 0 BDADLO Cc1c(C(N)=O)cccc1-c1cc[nH+]c(N)c1 ZINC001241170365 982317980 /nfs/dbraw/zinc/31/79/80/982317980.db2.gz JQZCTAMYTDWYMI-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Cc1coc(C(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC001195752510 982351534 /nfs/dbraw/zinc/35/15/34/982351534.db2.gz ZHPJBLAZKHGLPN-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCCC2(CC2)C1 ZINC001351775836 982383980 /nfs/dbraw/zinc/38/39/80/982383980.db2.gz MJZWXNXHJCJWAQ-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1ccnnc1 ZINC001241243353 982385149 /nfs/dbraw/zinc/38/51/49/982385149.db2.gz RWBMGWYIUCELPK-UHFFFAOYSA-N 1 2 214.272 1.913 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cccn(C)c1=O ZINC001241243028 982386941 /nfs/dbraw/zinc/38/69/41/982386941.db2.gz NCBXEQFFKOTSBS-UHFFFAOYSA-N 1 2 243.310 1.822 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCCC(F)(F)F ZINC001351926477 982410267 /nfs/dbraw/zinc/41/02/67/982410267.db2.gz GBRGZKUDQSMXMI-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCCC(F)(F)F ZINC001351926477 982410271 /nfs/dbraw/zinc/41/02/71/982410271.db2.gz GBRGZKUDQSMXMI-MRVPVSSYSA-N 1 2 238.253 1.539 20 0 BDADLO COCn1ncc(C)c1C[N@@H+]1CC[C@H](F)C1 ZINC001352065800 982451581 /nfs/dbraw/zinc/45/15/81/982451581.db2.gz YHNZTCKYEHIASL-JTQLQIEISA-N 1 2 227.283 1.339 20 0 BDADLO COCn1ncc(C)c1C[N@H+]1CC[C@H](F)C1 ZINC001352065800 982451591 /nfs/dbraw/zinc/45/15/91/982451591.db2.gz YHNZTCKYEHIASL-JTQLQIEISA-N 1 2 227.283 1.339 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC/C=C\C1CC1 ZINC001352250503 982500805 /nfs/dbraw/zinc/50/08/05/982500805.db2.gz HKIFJLYCVVBUDS-IHWYPQMZSA-N 1 2 233.315 1.435 20 0 BDADLO C[N@H+](Cc1cc[nH]c(=O)c1)Cc1ncccn1 ZINC001197303209 982549509 /nfs/dbraw/zinc/54/95/09/982549509.db2.gz AVEHSZXKSTZUSD-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1cc[nH]c(=O)c1)Cc1ncccn1 ZINC001197303209 982549512 /nfs/dbraw/zinc/54/95/12/982549512.db2.gz AVEHSZXKSTZUSD-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC001300063839 982554440 /nfs/dbraw/zinc/55/44/40/982554440.db2.gz WNLKRWDBGFPNNE-SNVBAGLBSA-N 1 2 234.303 1.320 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC001300063839 982554448 /nfs/dbraw/zinc/55/44/48/982554448.db2.gz WNLKRWDBGFPNNE-SNVBAGLBSA-N 1 2 234.303 1.320 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnc(C)c(C)c1 ZINC001589163433 982656174 /nfs/dbraw/zinc/65/61/74/982656174.db2.gz QDNYQUCCEUEWEJ-LBPRGKRZSA-N 1 2 233.315 1.731 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnc(C)c(C)c1 ZINC001589163433 982656179 /nfs/dbraw/zinc/65/61/79/982656179.db2.gz QDNYQUCCEUEWEJ-LBPRGKRZSA-N 1 2 233.315 1.731 20 0 BDADLO O[C@]1(C2CC2)CCN(c2cc[nH+]cc2F)C1 ZINC001353017808 982668562 /nfs/dbraw/zinc/66/85/62/982668562.db2.gz QDRHDSPXZQCDIN-GFCCVEGCSA-N 1 2 222.263 1.572 20 0 BDADLO COc1cccnc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001353519389 982878268 /nfs/dbraw/zinc/87/82/68/982878268.db2.gz ZLQFCQIDMIUJJW-LURJTMIESA-N 1 2 245.229 1.011 20 0 BDADLO Cc1cc(-c2cnc(N)nc2C)c[nH+]c1N ZINC001241646106 982888530 /nfs/dbraw/zinc/88/85/30/982888530.db2.gz KWVPMFQCNAPPGQ-UHFFFAOYSA-N 1 2 215.260 1.320 20 0 BDADLO Cc1nc(N)ncc1-c1c[nH+]c2c(c1)CCCN2 ZINC001241649124 982891967 /nfs/dbraw/zinc/89/19/67/982891967.db2.gz ZZURCNRPAXEUQL-UHFFFAOYSA-N 1 2 241.298 1.430 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001353767521 982998445 /nfs/dbraw/zinc/99/84/45/982998445.db2.gz YDOCJFQFTRATMJ-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001353767521 982998463 /nfs/dbraw/zinc/99/84/63/982998463.db2.gz YDOCJFQFTRATMJ-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@H](O)CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001251961255 983034501 /nfs/dbraw/zinc/03/45/01/983034501.db2.gz ARRYNYPPMROEDF-ZDUSSCGKSA-N 1 2 246.354 1.328 20 0 BDADLO C[C@H](O)CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001251961255 983034512 /nfs/dbraw/zinc/03/45/12/983034512.db2.gz ARRYNYPPMROEDF-ZDUSSCGKSA-N 1 2 246.354 1.328 20 0 BDADLO CCCC(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001273806171 983063248 /nfs/dbraw/zinc/06/32/48/983063248.db2.gz YVDSBQQKHKLFNP-ARJAWSKDSA-N 1 2 237.303 1.237 20 0 BDADLO Nc1ccc(Nc2cnc(Cl)nc2)c[nH+]1 ZINC001201272746 983172616 /nfs/dbraw/zinc/17/26/16/983172616.db2.gz UFFITZIYUYUYDS-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO CCn1nccc1Nc1ccc(N)[nH+]c1 ZINC001201271781 983173308 /nfs/dbraw/zinc/17/33/08/983173308.db2.gz BWYWJANIRNBEPO-UHFFFAOYSA-N 1 2 203.249 1.624 20 0 BDADLO COCC1(C)CCN(c2cc(N)nc[nH+]2)CC1 ZINC001354149974 983173809 /nfs/dbraw/zinc/17/38/09/983173809.db2.gz AOYCWLWZVKQVBW-UHFFFAOYSA-N 1 2 236.319 1.312 20 0 BDADLO Nc1cn(-c2ccc(N)[nH+]c2)c2ncccc12 ZINC001201276276 983175010 /nfs/dbraw/zinc/17/50/10/983175010.db2.gz RTGDSJBIWDKXBS-UHFFFAOYSA-N 1 2 225.255 1.585 20 0 BDADLO Nc1ccc(Nc2cccnc2F)c[nH+]1 ZINC001201273054 983175579 /nfs/dbraw/zinc/17/55/79/983175579.db2.gz ZYGUVWHHHKDJPS-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO CC(=O)N1CC=C(c2ccc3[nH+]ccn3c2)CC1 ZINC001241968342 983176035 /nfs/dbraw/zinc/17/60/35/983176035.db2.gz JCCLTBOAAYWFFK-UHFFFAOYSA-N 1 2 241.294 1.970 20 0 BDADLO Cc1csc(Nc2ccc(N)[nH+]c2)c1C(N)=O ZINC001201275425 983176142 /nfs/dbraw/zinc/17/61/42/983176142.db2.gz FJIJYVNGSFLEMV-UHFFFAOYSA-N 1 2 248.311 1.876 20 0 BDADLO Nc1ccc(Nc2cncc(Cl)n2)c[nH+]1 ZINC001201272979 983176499 /nfs/dbraw/zinc/17/64/99/983176499.db2.gz XTKRSGVNFJOQDH-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO Nc1ccc(Nc2cccc(CO)n2)c[nH+]1 ZINC001201278362 983179314 /nfs/dbraw/zinc/17/93/14/983179314.db2.gz IDXGXELMHLHKTN-UHFFFAOYSA-N 1 2 216.244 1.295 20 0 BDADLO Nc1ccc(N2CCc3c2cccc3N)c[nH+]1 ZINC001201295807 983181730 /nfs/dbraw/zinc/18/17/30/983181730.db2.gz SAHHRPYHKOJRGO-UHFFFAOYSA-N 1 2 226.283 1.940 20 0 BDADLO Cc1cnn(C)c1C(=O)OCc1ccc[nH+]c1N ZINC001354181775 983184942 /nfs/dbraw/zinc/18/49/42/983184942.db2.gz NGQVEIGFXSHGIZ-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H]1CC=CCC1 ZINC001201409221 983204223 /nfs/dbraw/zinc/20/42/23/983204223.db2.gz POSKNJMEDAVSPG-TUAOUCFPSA-N 1 2 241.306 1.928 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@H]1CC=CCC1 ZINC001201409221 983204225 /nfs/dbraw/zinc/20/42/25/983204225.db2.gz POSKNJMEDAVSPG-TUAOUCFPSA-N 1 2 241.306 1.928 20 0 BDADLO CC(C)C[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201463793 983231755 /nfs/dbraw/zinc/23/17/55/983231755.db2.gz LLGUEFGCXYGYNR-VIFPVBQESA-N 1 2 207.264 1.592 20 0 BDADLO CC(C)C[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201463793 983231769 /nfs/dbraw/zinc/23/17/69/983231769.db2.gz LLGUEFGCXYGYNR-VIFPVBQESA-N 1 2 207.264 1.592 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccnnc2)cc1 ZINC001242061905 983278705 /nfs/dbraw/zinc/27/87/05/983278705.db2.gz XTXNOJZHEGGVLN-GFCCVEGCSA-N 1 2 243.266 1.316 20 0 BDADLO CC(C)C[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001201479064 983286725 /nfs/dbraw/zinc/28/67/25/983286725.db2.gz ZEZTZWAYZZHYRU-SNVBAGLBSA-N 1 2 249.351 1.101 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nc(F)nc2[nH]cnc21 ZINC001242071231 983306225 /nfs/dbraw/zinc/30/62/25/983306225.db2.gz XIZGYUQTJLQMSQ-UHFFFAOYSA-N 1 2 244.233 1.396 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2c(ccn2C)n1 ZINC001242072155 983307256 /nfs/dbraw/zinc/30/72/56/983307256.db2.gz DFTQXBJKURSGCC-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ccc(=S)[nH]n1 ZINC001242078294 983327598 /nfs/dbraw/zinc/32/75/98/983327598.db2.gz XOEIAMRWYNOYEY-UHFFFAOYSA-N 1 2 218.285 1.718 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cc2nccc-2[n-][nH+]1 ZINC001242078339 983328813 /nfs/dbraw/zinc/32/88/13/983328813.db2.gz YZCPXMYEKKGUSH-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC001354636784 983335240 /nfs/dbraw/zinc/33/52/40/983335240.db2.gz XOENGWAOAAPGTO-QWRGUYRKSA-N 1 2 244.302 1.076 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@H](n2cncn2)C1 ZINC001354636784 983335247 /nfs/dbraw/zinc/33/52/47/983335247.db2.gz XOENGWAOAAPGTO-QWRGUYRKSA-N 1 2 244.302 1.076 20 0 BDADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1nncs1 ZINC001354626695 983336809 /nfs/dbraw/zinc/33/68/09/983336809.db2.gz MIWYVMOWNSHVPE-VIFPVBQESA-N 1 2 229.349 1.377 20 0 BDADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1nncs1 ZINC001354626695 983336817 /nfs/dbraw/zinc/33/68/17/983336817.db2.gz MIWYVMOWNSHVPE-VIFPVBQESA-N 1 2 229.349 1.377 20 0 BDADLO Cc1cc(NC(=S)NC(C)C)cc[nH+]1 ZINC001200773953 983354303 /nfs/dbraw/zinc/35/43/03/983354303.db2.gz XSXRZZXBCZLEGU-UHFFFAOYSA-N 1 2 209.318 1.507 20 0 BDADLO CC1(C)C[C@@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001355332559 983474065 /nfs/dbraw/zinc/47/40/65/983474065.db2.gz JZJAOVHLGFCNMT-ZCFIWIBFSA-N 1 2 247.245 1.664 20 0 BDADLO CCCCN1CC2(C[NH+](C(C)C)C2)OCC1=O ZINC001273915027 983498456 /nfs/dbraw/zinc/49/84/56/983498456.db2.gz XDFRAWNWQUSXAX-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO Cn1c[nH+]cc1-c1cc(F)ccc1CO ZINC001242341195 983589062 /nfs/dbraw/zinc/58/90/62/983589062.db2.gz VCMZSOPTVOKEMS-UHFFFAOYSA-N 1 2 206.220 1.719 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2cccc(F)c2)C1 ZINC001202232079 983611754 /nfs/dbraw/zinc/61/17/54/983611754.db2.gz MGHPBHSXPODBOJ-UHFFFAOYSA-N 1 2 223.251 1.261 20 0 BDADLO O[C@]1(CF)CC[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202308084 983619854 /nfs/dbraw/zinc/61/98/54/983619854.db2.gz QDSCYUXYHIMIML-YUMQZZPRSA-N 1 2 247.207 1.683 20 0 BDADLO O[C@]1(CF)CC[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202308084 983619870 /nfs/dbraw/zinc/61/98/70/983619870.db2.gz QDSCYUXYHIMIML-YUMQZZPRSA-N 1 2 247.207 1.683 20 0 BDADLO FCCN1CC[NH+](CCC(F)(F)F)CC1 ZINC001202346168 983629491 /nfs/dbraw/zinc/62/94/91/983629491.db2.gz LSMUCFOTFAJRGX-UHFFFAOYSA-N 1 2 228.233 1.526 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)n1C ZINC001356620392 983642800 /nfs/dbraw/zinc/64/28/00/983642800.db2.gz XTPGEAVXGXVSNX-UHFFFAOYSA-N 1 2 246.314 1.224 20 0 BDADLO O=C(Nc1nccs1)[C@H]1[NH2+]CCc2occc21 ZINC001356631792 983650003 /nfs/dbraw/zinc/65/00/03/983650003.db2.gz MEOMKYLSXASLSK-VIFPVBQESA-N 1 2 249.295 1.562 20 0 BDADLO Cc1ncc(-c2cc[nH+]c(N)c2)cc1N ZINC001242410887 983719926 /nfs/dbraw/zinc/71/99/26/983719926.db2.gz OLBCSVPGZMKNDG-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO O=C(c1ccns1)N1CC(n2cc[nH+]c2)C1 ZINC001357914501 983803677 /nfs/dbraw/zinc/80/36/77/983803677.db2.gz YSFKVQKTIINNDB-UHFFFAOYSA-N 1 2 234.284 1.037 20 0 BDADLO O=C(NCC[N@H+]1CC=CCC1)c1ccns1 ZINC001358187054 983836579 /nfs/dbraw/zinc/83/65/79/983836579.db2.gz SULLAOTYBJUSCB-UHFFFAOYSA-N 1 2 237.328 1.135 20 0 BDADLO O=C(NCC[N@@H+]1CC=CCC1)c1ccns1 ZINC001358187054 983836580 /nfs/dbraw/zinc/83/65/80/983836580.db2.gz SULLAOTYBJUSCB-UHFFFAOYSA-N 1 2 237.328 1.135 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834677 983895037 /nfs/dbraw/zinc/89/50/37/983895037.db2.gz UKEIMPUGLSIWRO-WDEREUQCSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001473834677 983895042 /nfs/dbraw/zinc/89/50/42/983895042.db2.gz UKEIMPUGLSIWRO-WDEREUQCSA-N 1 2 249.314 1.218 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001252800014 983895881 /nfs/dbraw/zinc/89/58/81/983895881.db2.gz APGGRQHNHIXDSF-TUAOUCFPSA-N 1 2 245.363 1.715 20 0 BDADLO c1cc2n(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000149531774 983946747 /nfs/dbraw/zinc/94/67/47/983946747.db2.gz PUYBUZILSAMZQT-UHFFFAOYSA-N 1 2 213.284 1.899 20 0 BDADLO c1cc2n(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000149531774 983946763 /nfs/dbraw/zinc/94/67/63/983946763.db2.gz PUYBUZILSAMZQT-UHFFFAOYSA-N 1 2 213.284 1.899 20 0 BDADLO Nc1cc(-c2c[nH]c(=O)c(F)c2)cc[nH+]1 ZINC001242615436 983995565 /nfs/dbraw/zinc/99/55/65/983995565.db2.gz FPCVGTPSHIGBLE-UHFFFAOYSA-N 1 2 205.192 1.571 20 0 BDADLO Cc1csc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC001137158104 984005330 /nfs/dbraw/zinc/00/53/30/984005330.db2.gz DLOHWWRMPAJHET-SNVBAGLBSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1csc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC001137158104 984005341 /nfs/dbraw/zinc/00/53/41/984005341.db2.gz DLOHWWRMPAJHET-SNVBAGLBSA-N 1 2 238.356 1.719 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CC[C@@H]1F ZINC001137162834 984009278 /nfs/dbraw/zinc/00/92/78/984009278.db2.gz LFRPQSFIJAPQSG-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@@H]1F ZINC001137162834 984009285 /nfs/dbraw/zinc/00/92/85/984009285.db2.gz LFRPQSFIJAPQSG-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO O=c1[nH]c2ccccc2cc1C[NH+]1CC(O)C1 ZINC001137179959 984028703 /nfs/dbraw/zinc/02/87/03/984028703.db2.gz KFLQBKUGWFQCTI-UHFFFAOYSA-N 1 2 230.267 1.117 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cn(C)cn2)s1 ZINC000379950625 984040994 /nfs/dbraw/zinc/04/09/94/984040994.db2.gz DXGWIABNXPIAJC-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596421369 984055492 /nfs/dbraw/zinc/05/54/92/984055492.db2.gz JCMNQNWEWICODN-IJLUTSLNSA-N 1 2 240.347 1.314 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596421369 984055494 /nfs/dbraw/zinc/05/54/94/984055494.db2.gz JCMNQNWEWICODN-IJLUTSLNSA-N 1 2 240.347 1.314 20 0 BDADLO Fc1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240496794 984305966 /nfs/dbraw/zinc/30/59/66/984305966.db2.gz INRAGVRSUNJOBX-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO CC(C)[C@](C)(CO)[NH2+]CC(F)(F)C(F)F ZINC000380051437 984310082 /nfs/dbraw/zinc/31/00/82/984310082.db2.gz XEEIKTHEZUDUDV-QMMMGPOBSA-N 1 2 231.233 1.883 20 0 BDADLO COCc1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001242955605 984319255 /nfs/dbraw/zinc/31/92/55/984319255.db2.gz PPKPYTRZQOSXFV-UHFFFAOYSA-N 1 2 215.256 1.872 20 0 BDADLO O=C(Nc1ccccc1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001441983866 984487867 /nfs/dbraw/zinc/48/78/67/984487867.db2.gz WEAKTQDRWXPEDO-RKDXNWHRSA-N 1 2 243.266 1.858 20 0 BDADLO O=C(Nc1ccccc1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001441983866 984487875 /nfs/dbraw/zinc/48/78/75/984487875.db2.gz WEAKTQDRWXPEDO-RKDXNWHRSA-N 1 2 243.266 1.858 20 0 BDADLO Cn1cncc1-c1cc[nH+]c2c1CCN2 ZINC001243072943 984501950 /nfs/dbraw/zinc/50/19/50/984501950.db2.gz UOXQOSDVNDUNBE-UHFFFAOYSA-N 1 2 200.245 1.450 20 0 BDADLO Cn1c[nH+]cc1-c1cc(F)c2nccn2c1 ZINC001243071833 984502551 /nfs/dbraw/zinc/50/25/51/984502551.db2.gz HEAMGKIAUOIVGR-UHFFFAOYSA-N 1 2 216.219 1.874 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(C)C1 ZINC001445369657 984590008 /nfs/dbraw/zinc/59/00/08/984590008.db2.gz VEZRIZBHWOEHNI-UHFFFAOYSA-N 1 2 207.277 1.175 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(O)cc1 ZINC001445716439 984611555 /nfs/dbraw/zinc/61/15/55/984611555.db2.gz NOXWHVULPMNHSZ-UHFFFAOYSA-N 1 2 217.228 1.297 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC2(CCC2)C1 ZINC001445855924 984613976 /nfs/dbraw/zinc/61/39/76/984613976.db2.gz PMMTXJZHUKQHAX-UHFFFAOYSA-N 1 2 241.294 1.960 20 0 BDADLO COc1ccc(C[NH+]2CC3(CCN3C)C2)cc1C ZINC001275822414 984672191 /nfs/dbraw/zinc/67/21/91/984672191.db2.gz FWDHKAYWVCZDMH-UHFFFAOYSA-N 1 2 246.354 1.894 20 0 BDADLO CN1CCC12C[NH+](CCOc1ccccc1)C2 ZINC001275994178 984776847 /nfs/dbraw/zinc/77/68/47/984776847.db2.gz BIEMVVGZDWYNOU-UHFFFAOYSA-N 1 2 232.327 1.455 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccncc2)CCO1 ZINC001256749243 984810516 /nfs/dbraw/zinc/81/05/16/984810516.db2.gz BXUUIGMMIMQTDA-SMDDNHRTSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccncc2)CCO1 ZINC001256749243 984810518 /nfs/dbraw/zinc/81/05/18/984810518.db2.gz BXUUIGMMIMQTDA-SMDDNHRTSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccncc2)CCO1 ZINC001256749241 984811494 /nfs/dbraw/zinc/81/14/94/984811494.db2.gz BXUUIGMMIMQTDA-RISCZKNCSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccncc2)CCO1 ZINC001256749241 984811497 /nfs/dbraw/zinc/81/14/97/984811497.db2.gz BXUUIGMMIMQTDA-RISCZKNCSA-N 1 2 248.326 1.302 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC=CO1 ZINC001448958101 984822363 /nfs/dbraw/zinc/82/23/63/984822363.db2.gz GZPHVAFQHBMNKU-LLVKDONJSA-N 1 2 243.266 1.966 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1nccs1)C2 ZINC001276182438 984825858 /nfs/dbraw/zinc/82/58/58/984825858.db2.gz BBDQAEBNWSUXGI-UHFFFAOYSA-N 1 2 209.318 1.033 20 0 BDADLO C[N@H+]1CCC12CN(Cc1nccs1)C2 ZINC001276182438 984825860 /nfs/dbraw/zinc/82/58/60/984825860.db2.gz BBDQAEBNWSUXGI-UHFFFAOYSA-N 1 2 209.318 1.033 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cccc(F)c1 ZINC001449978695 984852896 /nfs/dbraw/zinc/85/28/96/984852896.db2.gz OUDVWLNJQUQIBL-NSHDSACASA-N 1 2 245.257 1.377 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC001449967174 984854080 /nfs/dbraw/zinc/85/40/80/984854080.db2.gz GQPUUZHTZOXJOP-LLVKDONJSA-N 1 2 245.257 1.377 20 0 BDADLO C[C@H](C(=O)N1CC[C@H]1C1CC1)n1cc[nH+]c1 ZINC001450008170 984855154 /nfs/dbraw/zinc/85/51/54/984855154.db2.gz YDTOWQMYPVNMFJ-KOLCDFICSA-N 1 2 219.288 1.455 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCn2c[nH+]cc2C1 ZINC001450722281 984875803 /nfs/dbraw/zinc/87/58/03/984875803.db2.gz QMKADIBMVYWECX-JTQLQIEISA-N 1 2 217.272 1.025 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1F ZINC000886023850 984877958 /nfs/dbraw/zinc/87/79/58/984877958.db2.gz XAJJNJFBFPTKGE-UWVGGRQHSA-N 1 2 215.293 1.653 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1F ZINC000886023850 984877961 /nfs/dbraw/zinc/87/79/61/984877961.db2.gz XAJJNJFBFPTKGE-UWVGGRQHSA-N 1 2 215.293 1.653 20 0 BDADLO CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C(F)(F)F ZINC001578232623 984883171 /nfs/dbraw/zinc/88/31/71/984883171.db2.gz GFNZPODZACIUQP-WHFBIAKZSA-N 1 2 248.195 1.426 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001257409999 984958053 /nfs/dbraw/zinc/95/80/53/984958053.db2.gz OOUNHIWBKUCSJU-QWRGUYRKSA-N 1 2 231.336 1.469 20 0 BDADLO Cc1nc(NC(=O)C[NH+]2CCCC2)oc1C ZINC001453666167 985000026 /nfs/dbraw/zinc/00/00/26/985000026.db2.gz QOXKVPPRDAHJLC-UHFFFAOYSA-N 1 2 223.276 1.326 20 0 BDADLO CC(=O)Nc1ccc(-c2ccc[nH+]c2N)c(C)n1 ZINC001243474068 985020504 /nfs/dbraw/zinc/02/05/04/985020504.db2.gz SOBLBYGZQJAWEF-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)C(=O)NC2 ZINC001243474643 985029971 /nfs/dbraw/zinc/02/99/71/985029971.db2.gz OSDWNOHMNOVIMZ-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO CN1c2cc(-c3ccc[nH+]c3N)ccc2CC1=O ZINC001243477255 985038522 /nfs/dbraw/zinc/03/85/22/985038522.db2.gz NZXWBUYANWSKRE-UHFFFAOYSA-N 1 2 239.278 1.850 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N)[nH+]c2)[C@H](C)O1 ZINC000686427159 985118324 /nfs/dbraw/zinc/11/83/24/985118324.db2.gz OLIKIAWEBOGWMS-WCABBAIRSA-N 1 2 249.314 1.094 20 0 BDADLO COC(=O)COc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243631055 985150077 /nfs/dbraw/zinc/15/00/77/985150077.db2.gz FNKNBOHAPGMZDK-UHFFFAOYSA-N 1 2 247.254 1.034 20 0 BDADLO Oc1cccnc1C[NH+]1CC2(C1)CCCO2 ZINC001138391119 985303209 /nfs/dbraw/zinc/30/32/09/985303209.db2.gz NTAVRZBTULXVRO-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Cc1cc(-c2cnc(N)nc2)c2[nH+]ccn2c1 ZINC001243874309 985534702 /nfs/dbraw/zinc/53/47/02/985534702.db2.gz CQHHWFAYJHBTTN-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CN(C)c1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243947839 985621825 /nfs/dbraw/zinc/62/18/25/985621825.db2.gz PVYMJWPBTZHKKR-UHFFFAOYSA-N 1 2 204.277 1.267 20 0 BDADLO COC(=O)c1ccc(C2=C[NH2+]CCC2)nc1F ZINC001243946904 985624135 /nfs/dbraw/zinc/62/41/35/985624135.db2.gz AMXPCKMYRVOJHY-UHFFFAOYSA-N 1 2 236.246 1.732 20 0 BDADLO c1cc2c(ncnc2C2=C[NH2+]CCC2)o1 ZINC001243947031 985624714 /nfs/dbraw/zinc/62/47/14/985624714.db2.gz CMTYEZWAYHJMRE-UHFFFAOYSA-N 1 2 201.229 1.947 20 0 BDADLO COC(=O)c1ccc(C2=C[NH2+]CCC2)nc1C ZINC001243947821 985625324 /nfs/dbraw/zinc/62/53/24/985625324.db2.gz PIZSNWOFDZUKNZ-UHFFFAOYSA-N 1 2 232.283 1.901 20 0 BDADLO c1ncc(N2CCCC2)nc1C1=C[NH2+]CCC1 ZINC001243948925 985631958 /nfs/dbraw/zinc/63/19/58/985631958.db2.gz FWLVNCWYPPJBKQ-UHFFFAOYSA-N 1 2 230.315 1.801 20 0 BDADLO c1nc(C2=C[NH2+]CCC2)cnc1OCC1CC1 ZINC001243952886 985663893 /nfs/dbraw/zinc/66/38/93/985663893.db2.gz XXDASZJCBRIYDA-UHFFFAOYSA-N 1 2 231.299 1.990 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(\C)C(=O)OC)C[C@H](C)O1 ZINC000689103287 985801050 /nfs/dbraw/zinc/80/10/50/985801050.db2.gz REHPUPHPPLTKLW-RBWIOGKGSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)OC)C[C@H](C)O1 ZINC000689103287 985801054 /nfs/dbraw/zinc/80/10/54/985801054.db2.gz REHPUPHPPLTKLW-RBWIOGKGSA-N 1 2 241.331 1.605 20 0 BDADLO CCCn1cncc1C[NH2+]Cc1ccn(CC)n1 ZINC001461584548 986085684 /nfs/dbraw/zinc/08/56/84/986085684.db2.gz SHYBATWEVQDWDA-UHFFFAOYSA-N 1 2 247.346 1.799 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N)c2nccn21 ZINC001462241301 986318380 /nfs/dbraw/zinc/31/83/80/986318380.db2.gz VXMUSUUSFFOMHI-KOLCDFICSA-N 1 2 243.314 1.656 20 0 BDADLO Cc1[nH+]cc2n1CCN(C[C@H](O)C(C)(C)C)C2 ZINC001253722008 986341430 /nfs/dbraw/zinc/34/14/30/986341430.db2.gz MCRZHAIACQELHA-LBPRGKRZSA-N 1 2 237.347 1.414 20 0 BDADLO CC[C@H]1CN(c2cc(NC)[nH+]cn2)C[C@@H](C)O1 ZINC000689161163 986357322 /nfs/dbraw/zinc/35/73/22/986357322.db2.gz QLAUXNIQQIJJCZ-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO CC[C@H]1CN(c2cc(NC)nc[nH+]2)C[C@@H](C)O1 ZINC000689161163 986357326 /nfs/dbraw/zinc/35/73/26/986357326.db2.gz QLAUXNIQQIJJCZ-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO COc1ccc(CNc2cc(CO)cc[nH+]2)nc1 ZINC001462360231 986362365 /nfs/dbraw/zinc/36/23/65/986362365.db2.gz GZFJCFYXHMCDTF-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001261755277 986531241 /nfs/dbraw/zinc/53/12/41/986531241.db2.gz AAGVHNUNVTVSSI-ZYHUDNBSSA-N 1 2 235.331 1.995 20 0 BDADLO CNc1cc(N2CCC[C@@H](F)C2)nc[nH+]1 ZINC000689399869 986561390 /nfs/dbraw/zinc/56/13/90/986561390.db2.gz LCGYHRYSRADKDA-MRVPVSSYSA-N 1 2 210.256 1.457 20 0 BDADLO CNc1cc(N2CCC[C@@H](F)C2)[nH+]cn1 ZINC000689399869 986561410 /nfs/dbraw/zinc/56/14/10/986561410.db2.gz LCGYHRYSRADKDA-MRVPVSSYSA-N 1 2 210.256 1.457 20 0 BDADLO CNc1cc(-c2ccncc2N)cc[nH+]1 ZINC001244975256 986563332 /nfs/dbraw/zinc/56/33/32/986563332.db2.gz HJPLJASTBZOXKZ-UHFFFAOYSA-N 1 2 200.245 1.768 20 0 BDADLO CCC(=O)C1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC001464157700 986614029 /nfs/dbraw/zinc/61/40/29/986614029.db2.gz KUXXOQRPFZLDIA-JTQLQIEISA-N 1 2 249.314 1.147 20 0 BDADLO CCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097665116 986629320 /nfs/dbraw/zinc/62/93/20/986629320.db2.gz DCFKJAJRNYKISP-QMMMGPOBSA-N 1 2 222.292 1.112 20 0 BDADLO Cc1c(CN2CCC23COC3)[nH+]c2ccccn21 ZINC001137272004 986703641 /nfs/dbraw/zinc/70/36/41/986703641.db2.gz DBDWVUVXJBBADS-UHFFFAOYSA-N 1 2 243.310 1.617 20 0 BDADLO Cc1c(C[NH+]2CC(CO)C2)nc2ccccn12 ZINC001137272007 986704333 /nfs/dbraw/zinc/70/43/33/986704333.db2.gz DIMZNLYQTNLMOV-UHFFFAOYSA-N 1 2 231.299 1.067 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(C2=CCCOC2)cc1 ZINC001245162027 986713344 /nfs/dbraw/zinc/71/33/44/986713344.db2.gz QPLZHGXDOHMLCG-ZDUSSCGKSA-N 1 2 247.294 1.663 20 0 BDADLO Cc1[nH+]cc(NC(=S)NCC(C)C)n1C ZINC001245211928 986732895 /nfs/dbraw/zinc/73/28/95/986732895.db2.gz OGSJQWPVWCETED-UHFFFAOYSA-N 1 2 226.349 1.671 20 0 BDADLO Cc1ccc2[nH+]cc(CN3C[C@@H]4C[C@H]3CO4)n2c1 ZINC001137310059 986741712 /nfs/dbraw/zinc/74/17/12/986741712.db2.gz GJMKEPSVRNDYLR-AAEUAGOBSA-N 1 2 243.310 1.616 20 0 BDADLO C=C/C=C/CC(=O)N(C)CCCn1cc[nH+]c1 ZINC001465985802 986762031 /nfs/dbraw/zinc/76/20/31/986762031.db2.gz DVMODWNZVDQKGW-SNAWJCMRSA-N 1 2 233.315 1.864 20 0 BDADLO Cc1[nH+]cn(-c2ccc(-c3cc[nH]n3)nn2)c1C ZINC001245315722 986811488 /nfs/dbraw/zinc/81/14/88/986811488.db2.gz WSXVUOSMGICHPW-UHFFFAOYSA-N 1 2 240.270 1.669 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001468217047 986892000 /nfs/dbraw/zinc/89/20/00/986892000.db2.gz TUUZSNBOXWDLOV-HBNTYKKESA-N 1 2 237.303 1.128 20 0 BDADLO COCc1cc(-c2c[nH+]c(N)c(C)c2)nc(C)n1 ZINC001245536594 986912884 /nfs/dbraw/zinc/91/28/84/986912884.db2.gz UJCOBXMGENPVHY-UHFFFAOYSA-N 1 2 244.298 1.884 20 0 BDADLO Cc1cc(-c2cn3ncnc3cn2)c[nH+]c1N ZINC001245538515 986918423 /nfs/dbraw/zinc/91/84/23/986918423.db2.gz MWZBMVOFYAZMHX-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO Cc1cc(-c2ccc3nccn3n2)c[nH+]c1N ZINC001245538234 986920152 /nfs/dbraw/zinc/92/01/52/986920152.db2.gz YVOMPIYWNYJUFR-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO COCc1nc(C)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245538504 986921770 /nfs/dbraw/zinc/92/17/70/986921770.db2.gz PMEGNAAPEYQGHW-UHFFFAOYSA-N 1 2 244.298 1.884 20 0 BDADLO CCOc1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245539431 986923445 /nfs/dbraw/zinc/92/34/45/986923445.db2.gz UCMZZZPNWJGIHM-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO Cc1cc(-c2cccn3cnnc23)c[nH+]c1N ZINC001245539099 986927117 /nfs/dbraw/zinc/92/71/17/986927117.db2.gz QPMYPTWRAOELCW-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2c(c1)NCCO2 ZINC001245546456 986936937 /nfs/dbraw/zinc/93/69/37/986936937.db2.gz NEESGJFHOSZCMX-UHFFFAOYSA-N 1 2 228.255 1.530 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C(F)F ZINC001468856316 986943463 /nfs/dbraw/zinc/94/34/63/986943463.db2.gz GEZXHMRQKSQXEY-ZETCQYMHSA-N 1 2 217.219 1.043 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(F)F ZINC001468857718 986944916 /nfs/dbraw/zinc/94/49/16/986944916.db2.gz QANGZQRNSWDGIU-HTQZYQBOSA-N 1 2 243.257 1.215 20 0 BDADLO COCCCNC(=S)Nc1cc[nH+]c(C)c1 ZINC001245565077 986960628 /nfs/dbraw/zinc/96/06/28/986960628.db2.gz AFFKKRWGRWNPFP-UHFFFAOYSA-N 1 2 239.344 1.135 20 0 BDADLO CCc1cc(NC(=O)CCc2[nH]cc[nH+]2)nn1C ZINC001469214386 986973968 /nfs/dbraw/zinc/97/39/68/986973968.db2.gz VTYMURSWSLAOOR-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001255647372 987040979 /nfs/dbraw/zinc/04/09/79/987040979.db2.gz UJDRPXSJSGCKEY-BIIVOSGPSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001255647372 987040993 /nfs/dbraw/zinc/04/09/93/987040993.db2.gz UJDRPXSJSGCKEY-BIIVOSGPSA-N 1 2 229.217 1.732 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC=CO1 ZINC001470394143 987044885 /nfs/dbraw/zinc/04/48/85/987044885.db2.gz LXYIAAMRUQTFHY-NSHDSACASA-N 1 2 243.266 1.966 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001589494655 987071829 /nfs/dbraw/zinc/07/18/29/987071829.db2.gz KJMBCXVWYMCZAG-MWLCHTKSSA-N 1 2 236.271 1.008 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001589494655 987071839 /nfs/dbraw/zinc/07/18/39/987071839.db2.gz KJMBCXVWYMCZAG-MWLCHTKSSA-N 1 2 236.271 1.008 20 0 BDADLO COC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1N ZINC001245903710 987131331 /nfs/dbraw/zinc/13/13/31/987131331.db2.gz GRVROIBKJQXNGM-UHFFFAOYSA-N 1 2 243.266 1.700 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CC23CCC3)c[nH+]1 ZINC001472018766 987163271 /nfs/dbraw/zinc/16/32/71/987163271.db2.gz LBZCFTFYUIUZQH-SNVBAGLBSA-N 1 2 233.315 1.779 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CC23CCC3)[nH+]1 ZINC001472018766 987163279 /nfs/dbraw/zinc/16/32/79/987163279.db2.gz LBZCFTFYUIUZQH-SNVBAGLBSA-N 1 2 233.315 1.779 20 0 BDADLO [NH3+]Cc1cc(=O)n([C@@H]2CCCc3ccccc32)[nH]1 ZINC001245925629 987175504 /nfs/dbraw/zinc/17/55/04/987175504.db2.gz ZDGGHILUUHTNGI-CYBMUJFWSA-N 1 2 243.310 1.973 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)on1 ZINC001472093017 987176018 /nfs/dbraw/zinc/17/60/18/987176018.db2.gz PZRYBQPKFWGGLL-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)on1 ZINC001472093017 987176029 /nfs/dbraw/zinc/17/60/29/987176029.db2.gz PZRYBQPKFWGGLL-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO C[C@H](c1ccccc1)n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245926532 987181920 /nfs/dbraw/zinc/18/19/20/987181920.db2.gz BWFSUBPCPSMREP-SNVBAGLBSA-N 1 2 243.310 1.885 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(C)CC(=O)C(C)(C)C ZINC001472406319 987218697 /nfs/dbraw/zinc/21/86/97/987218697.db2.gz LANPSRITDUWPMJ-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(C)CC(=O)C(C)(C)C ZINC001472406319 987218700 /nfs/dbraw/zinc/21/87/00/987218700.db2.gz LANPSRITDUWPMJ-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1COC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000694028678 987317359 /nfs/dbraw/zinc/31/73/59/987317359.db2.gz HQIRYLSFDOKDJP-ZANVPECISA-N 1 2 231.299 1.687 20 0 BDADLO OCC[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000699635946 987377517 /nfs/dbraw/zinc/37/75/17/987377517.db2.gz LJXVKSQCOMSZOY-VIFPVBQESA-N 1 2 210.252 1.572 20 0 BDADLO CCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)CCO1 ZINC001473282400 987388094 /nfs/dbraw/zinc/38/80/94/987388094.db2.gz PIQRNSBQODMVHY-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)CCO1 ZINC001473282400 987388101 /nfs/dbraw/zinc/38/81/01/987388101.db2.gz PIQRNSBQODMVHY-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CN(CCOc1ccccc1)c1cc(N)nc[nH+]1 ZINC001115992526 987425461 /nfs/dbraw/zinc/42/54/61/987425461.db2.gz GYPGKFJPLBEIDD-UHFFFAOYSA-N 1 2 244.298 1.574 20 0 BDADLO COc1cc(C)[nH+]c(CS[C@H](C)C(N)=O)c1 ZINC001116495067 987603218 /nfs/dbraw/zinc/60/32/18/987603218.db2.gz PQXNPNCXGJRBPR-MRVPVSSYSA-N 1 2 240.328 1.506 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CN1 ZINC001246217925 987616051 /nfs/dbraw/zinc/61/60/51/987616051.db2.gz NLQOQHHKYHBQKL-DBIOUOCHSA-N 1 2 200.301 1.465 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CN1 ZINC001246219937 987616083 /nfs/dbraw/zinc/61/60/83/987616083.db2.gz AXNKQBXHMSTVSR-FVCCEPFGSA-N 1 2 226.364 1.268 20 0 BDADLO CCCc1ncc(C[NH2+]Cc2cnnn2C)o1 ZINC001474145025 987651129 /nfs/dbraw/zinc/65/11/29/987651129.db2.gz FHFAIPJQUUQFJD-UHFFFAOYSA-N 1 2 235.291 1.045 20 0 BDADLO Cc1ccc(CNc2cc(CO)cc[nH+]2)nc1 ZINC001474188372 987655131 /nfs/dbraw/zinc/65/51/31/987655131.db2.gz KPMIQKNSXJXVBN-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccn[nH]1 ZINC001474294211 987679361 /nfs/dbraw/zinc/67/93/61/987679361.db2.gz LGNVATFOWBKROA-CHWSQXEVSA-N 1 2 229.283 1.158 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC(OCC(C)C)C1 ZINC001474395459 987711713 /nfs/dbraw/zinc/71/17/13/987711713.db2.gz ZEGZKRFWFQBOPC-UHFFFAOYSA-N 1 2 249.358 1.829 20 0 BDADLO Fc1cnccc1C[NH2+]Cc1ccno1 ZINC001474425686 987718906 /nfs/dbraw/zinc/71/89/06/987718906.db2.gz JKPDMJXTQPGFPG-UHFFFAOYSA-N 1 2 207.208 1.499 20 0 BDADLO OCc1csc(C[NH+]2CCC(F)CC2)n1 ZINC001474684042 987800969 /nfs/dbraw/zinc/80/09/69/987800969.db2.gz FMAPXGWSMYNRHC-UHFFFAOYSA-N 1 2 230.308 1.569 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nc(CO)cs2)C1 ZINC001474717229 987808445 /nfs/dbraw/zinc/80/84/45/987808445.db2.gz IOAAWWBJQZVFRZ-VIFPVBQESA-N 1 2 242.344 1.104 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001474717229 987808450 /nfs/dbraw/zinc/80/84/50/987808450.db2.gz IOAAWWBJQZVFRZ-VIFPVBQESA-N 1 2 242.344 1.104 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccnc2N(C)C)CCO1 ZINC001117614295 987847969 /nfs/dbraw/zinc/84/79/69/987847969.db2.gz MXAPKLNQBHYBIW-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccnc2N(C)C)CCO1 ZINC001117614295 987847973 /nfs/dbraw/zinc/84/79/73/987847973.db2.gz MXAPKLNQBHYBIW-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)n[nH]1 ZINC001117948094 987962104 /nfs/dbraw/zinc/96/21/04/987962104.db2.gz MCNMFYNMHRJLHT-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)n[nH]1 ZINC001117948094 987962115 /nfs/dbraw/zinc/96/21/15/987962115.db2.gz MCNMFYNMHRJLHT-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1ncncc1C(=O)OCc1cc[nH+]c(N)c1 ZINC001321911448 988048897 /nfs/dbraw/zinc/04/88/97/988048897.db2.gz LMYMNBJQKMHJOO-UHFFFAOYSA-N 1 2 244.254 1.119 20 0 BDADLO C[C@H]1OCC[C@@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001118257927 988158677 /nfs/dbraw/zinc/15/86/77/988158677.db2.gz JRIRJSYBBNIIBA-BDAKNGLRSA-N 1 2 234.259 1.207 20 0 BDADLO C[C@H](C(=O)N1CCC12CCCC2)n1cc[nH+]c1 ZINC001118330442 988225029 /nfs/dbraw/zinc/22/50/29/988225029.db2.gz NMKOBAKILNBAIR-LLVKDONJSA-N 1 2 233.315 1.989 20 0 BDADLO C[C@H](C(=O)N1CCO[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001322643033 988351830 /nfs/dbraw/zinc/35/18/30/988351830.db2.gz YMVQKQLWTDBCNO-MXWKQRLJSA-N 1 2 237.303 1.080 20 0 BDADLO c1nnc(C[N@@H+]2CCCC3(CCOCC3)C2)[nH]1 ZINC001118494777 988387764 /nfs/dbraw/zinc/38/77/64/988387764.db2.gz KMQZVUSASYZOQK-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO c1nnc(C[N@H+]2CCCC3(CCOCC3)C2)[nH]1 ZINC001118494777 988387775 /nfs/dbraw/zinc/38/77/75/988387775.db2.gz KMQZVUSASYZOQK-UHFFFAOYSA-N 1 2 236.319 1.197 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2CC2(Cl)Cl)o1 ZINC001322984826 988421588 /nfs/dbraw/zinc/42/15/88/988421588.db2.gz ZWZSKDALEUWECY-RXMQYKEDSA-N 1 2 236.102 1.792 20 0 BDADLO Cc1[nH+]ccn1CCCSCc1nc[nH]n1 ZINC001118538434 988422930 /nfs/dbraw/zinc/42/29/30/988422930.db2.gz UABDZMNFLFJUSZ-UHFFFAOYSA-N 1 2 237.332 1.633 20 0 BDADLO Cc1[nH+]ccn1CCCSCc1nnc[nH]1 ZINC001118538434 988422936 /nfs/dbraw/zinc/42/29/36/988422936.db2.gz UABDZMNFLFJUSZ-UHFFFAOYSA-N 1 2 237.332 1.633 20 0 BDADLO CC[C@H]1CCC[N@H+](Cc2nnc[nH]2)CC1 ZINC001118556430 988429021 /nfs/dbraw/zinc/42/90/21/988429021.db2.gz GTNKXHKXCFHRFH-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001118556430 988429027 /nfs/dbraw/zinc/42/90/27/988429027.db2.gz GTNKXHKXCFHRFH-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO C[C@H](C(=O)N1CC[C@H](C2CC2)C1)n1cc[nH+]c1 ZINC001323191289 988473726 /nfs/dbraw/zinc/47/37/26/988473726.db2.gz MJNCZGYYOXVNKQ-PWSUYJOCSA-N 1 2 233.315 1.703 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C ZINC001323339586 988504183 /nfs/dbraw/zinc/50/41/83/988504183.db2.gz HXXLGDLLCBJTNJ-MNOVXSKESA-N 1 2 244.354 1.971 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C ZINC001323339586 988504194 /nfs/dbraw/zinc/50/41/94/988504194.db2.gz HXXLGDLLCBJTNJ-MNOVXSKESA-N 1 2 244.354 1.971 20 0 BDADLO C[C@@H](C(=O)NCCC1(F)CCC1)n1cc[nH+]c1 ZINC001323337396 988505459 /nfs/dbraw/zinc/50/54/59/988505459.db2.gz TWTSCQXTODOEKT-JTQLQIEISA-N 1 2 239.294 1.843 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CCF)C1CC1 ZINC001323371027 988513666 /nfs/dbraw/zinc/51/36/66/988513666.db2.gz JDTYQWNQBGTRRP-ZYHUDNBSSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1CC[N@H+]1CCF)C1CC1 ZINC001323371027 988513674 /nfs/dbraw/zinc/51/36/74/988513674.db2.gz JDTYQWNQBGTRRP-ZYHUDNBSSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H](C(=O)N[C@H]1C=CCC1)n1cc[nH+]c1 ZINC001118724564 988524669 /nfs/dbraw/zinc/52/46/69/988524669.db2.gz BSGKRWQMANMACN-UWVGGRQHSA-N 1 2 205.261 1.279 20 0 BDADLO C/C=C(/C)C(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001498955135 988525063 /nfs/dbraw/zinc/52/50/63/988525063.db2.gz KYIPNNIWGTVGMO-BNFOFFDWSA-N 1 2 214.284 1.113 20 0 BDADLO C/C=C(/C)C(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001498955135 988525073 /nfs/dbraw/zinc/52/50/73/988525073.db2.gz KYIPNNIWGTVGMO-BNFOFFDWSA-N 1 2 214.284 1.113 20 0 BDADLO O=C(/C=C\[C@@H]1CCOC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001118793659 988598186 /nfs/dbraw/zinc/59/81/86/988598186.db2.gz ORAMIUPQWDDKLA-JLVKAVFRSA-N 1 2 247.298 1.037 20 0 BDADLO COCn1ncc(C)c1CNc1cccc[nH+]1 ZINC001323998572 988663296 /nfs/dbraw/zinc/66/32/96/988663296.db2.gz HEACSPSHDZUPEP-UHFFFAOYSA-N 1 2 232.287 1.803 20 0 BDADLO O=c1ccc(-c2noc(Cn3cc[nH+]c3)n2)c[nH]1 ZINC001323997830 988663864 /nfs/dbraw/zinc/66/38/64/988663864.db2.gz UBRWEBWKGLVMFF-UHFFFAOYSA-N 1 2 243.226 1.082 20 0 BDADLO CCCc1n[nH]cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001324121809 988715932 /nfs/dbraw/zinc/71/59/32/988715932.db2.gz POMBRRUTGHTVJJ-UHFFFAOYSA-N 1 2 247.302 1.058 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2Cc3ccccc32)o1 ZINC001324177641 988742707 /nfs/dbraw/zinc/74/27/07/988742707.db2.gz DSIKQZGZDDFBCY-LLVKDONJSA-N 1 2 229.283 1.819 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001324372757 988818679 /nfs/dbraw/zinc/81/86/79/988818679.db2.gz DWOCOWVFLPKEPA-KXUCPTDWSA-N 1 2 207.277 1.311 20 0 BDADLO c1[nH]cc(Cc2nc(-c3cccnc3)no2)[nH+]1 ZINC001247137164 988850695 /nfs/dbraw/zinc/85/06/95/988850695.db2.gz FDTSLNCMBAKVBT-UHFFFAOYSA-N 1 2 227.227 1.446 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001324476931 988852806 /nfs/dbraw/zinc/85/28/06/988852806.db2.gz YAYGAQRQGQKSGB-WDEREUQCSA-N 1 2 220.320 1.817 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001324476931 988852811 /nfs/dbraw/zinc/85/28/11/988852811.db2.gz YAYGAQRQGQKSGB-WDEREUQCSA-N 1 2 220.320 1.817 20 0 BDADLO CC[C@](C)(C[NH2+][C@@H](C)c1noc(C)n1)OC ZINC001119245801 988862425 /nfs/dbraw/zinc/86/24/25/988862425.db2.gz UPTCYUCBZWSFIY-GZMMTYOYSA-N 1 2 227.308 1.844 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC=C[C@H]2CO)cc1 ZINC001119325848 988946521 /nfs/dbraw/zinc/94/65/21/988946521.db2.gz ULRNLHOCKRTVSA-ZDUSSCGKSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC=C[C@H]2CO)cc1 ZINC001119325848 988946542 /nfs/dbraw/zinc/94/65/42/988946542.db2.gz ULRNLHOCKRTVSA-ZDUSSCGKSA-N 1 2 246.310 1.166 20 0 BDADLO CCOc1ccc(-c2noc([C@@H]([NH3+])CO)n2)cc1 ZINC001247611143 988949198 /nfs/dbraw/zinc/94/91/98/988949198.db2.gz FYXSIVZBHCXIAL-JTQLQIEISA-N 1 2 249.270 1.127 20 0 BDADLO CCC[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)OC ZINC001324744849 988959554 /nfs/dbraw/zinc/95/95/54/988959554.db2.gz COQZXHGQOXFMOC-QWRGUYRKSA-N 1 2 239.319 1.375 20 0 BDADLO CC(=O)OC[C@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC001247695116 988985193 /nfs/dbraw/zinc/98/51/93/988985193.db2.gz FLPWLYTUPKLKMH-JTQLQIEISA-N 1 2 247.254 1.300 20 0 BDADLO CCc1nccc(N2CCn3c[nH+]cc3C2)n1 ZINC001119356228 989004679 /nfs/dbraw/zinc/00/46/79/989004679.db2.gz CTONCMQSGKRWJP-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO CCn1[nH]cnc1=NC[C@H](c1ccco1)[NH+](C)C ZINC001515315982 989027083 /nfs/dbraw/zinc/02/70/83/989027083.db2.gz ZEEAZYQXVVIGFI-SNVBAGLBSA-N 1 2 249.318 1.028 20 0 BDADLO Cc1[nH]cnc1C(=O)OCCCc1c[nH+]cn1C ZINC001515352483 989032539 /nfs/dbraw/zinc/03/25/39/989032539.db2.gz SLGVFHYJTLMNAE-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC(C(F)F)C1 ZINC001324988536 989045189 /nfs/dbraw/zinc/04/51/89/989045189.db2.gz QCAPNPWHMYBBIT-UHFFFAOYSA-N 1 2 243.257 1.076 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)(C)O ZINC001325063556 989071560 /nfs/dbraw/zinc/07/15/60/989071560.db2.gz LZIJGXGIHJWTMU-ZJUUUORDSA-N 1 2 239.319 1.110 20 0 BDADLO C[C@H](CC(=O)Nc1ccnnc1)n1cc[nH+]c1 ZINC001119471637 989096106 /nfs/dbraw/zinc/09/61/06/989096106.db2.gz NQLRLLBUCOZDRA-SECBINFHSA-N 1 2 231.259 1.263 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC/C=C\C1CC1 ZINC001325150781 989101910 /nfs/dbraw/zinc/10/19/10/989101910.db2.gz IEMFSRCLCDGUSM-IHWYPQMZSA-N 1 2 233.315 1.435 20 0 BDADLO C[C@H](C(=O)N1CCOCC2(CC2)C1)n1cc[nH+]c1 ZINC001325172883 989112481 /nfs/dbraw/zinc/11/24/81/989112481.db2.gz OLHWAUMGQNKJTB-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2C[C@H](C)[C@H]2C)[nH]n1 ZINC001119512593 989117678 /nfs/dbraw/zinc/11/76/78/989117678.db2.gz SLBKPYDWHNZLMJ-DTWKUNHWSA-N 1 2 237.303 1.427 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2C[C@H](C)[C@H]2C)[nH]n1 ZINC001119512593 989117682 /nfs/dbraw/zinc/11/76/82/989117682.db2.gz SLBKPYDWHNZLMJ-DTWKUNHWSA-N 1 2 237.303 1.427 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H]([S@](C)=O)C2)cc[nH+]1 ZINC001516062945 989136533 /nfs/dbraw/zinc/13/65/33/989136533.db2.gz GEBQVSBEOSSZQQ-LYGAQUJYSA-N 1 2 239.344 1.497 20 0 BDADLO CCc1ccc(N2CC[C@H](O)[C@H](F)C2)[nH+]c1 ZINC001516050464 989137671 /nfs/dbraw/zinc/13/76/71/989137671.db2.gz FDNFPAVPDZKSPA-MNOVXSKESA-N 1 2 224.279 1.553 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@]1(F)CCOC1 ZINC001325287316 989144396 /nfs/dbraw/zinc/14/43/96/989144396.db2.gz QWDQEJCVYHEYDA-LBPRGKRZSA-N 1 2 249.245 1.401 20 0 BDADLO Cn1c(C[N@@H+]2CCC(=O)C(C)(C)C2)cccc1=O ZINC001248808773 989164510 /nfs/dbraw/zinc/16/45/10/989164510.db2.gz UEMLCCHEYAYPBZ-UHFFFAOYSA-N 1 2 248.326 1.186 20 0 BDADLO Cn1c(C[N@H+]2CCC(=O)C(C)(C)C2)cccc1=O ZINC001248808773 989164513 /nfs/dbraw/zinc/16/45/13/989164513.db2.gz UEMLCCHEYAYPBZ-UHFFFAOYSA-N 1 2 248.326 1.186 20 0 BDADLO CC[N@H+](Cc1ccc2n1CCC2)C1COC1 ZINC001248824106 989185338 /nfs/dbraw/zinc/18/53/38/989185338.db2.gz ZAABDEMZRNXXHO-UHFFFAOYSA-N 1 2 220.316 1.655 20 0 BDADLO CC[N@@H+](Cc1ccc2n1CCC2)C1COC1 ZINC001248824106 989185343 /nfs/dbraw/zinc/18/53/43/989185343.db2.gz ZAABDEMZRNXXHO-UHFFFAOYSA-N 1 2 220.316 1.655 20 0 BDADLO Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](O)C3)nc2c1 ZINC001248839255 989189630 /nfs/dbraw/zinc/18/96/30/989189630.db2.gz BQJMCLATYSQAOW-SNVBAGLBSA-N 1 2 231.299 1.438 20 0 BDADLO Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](O)C3)nc2c1 ZINC001248839255 989189641 /nfs/dbraw/zinc/18/96/41/989189641.db2.gz BQJMCLATYSQAOW-SNVBAGLBSA-N 1 2 231.299 1.438 20 0 BDADLO Cc1ccc2nc(C[N@@H+]3CC[C@@H](O)C3)[nH]c2c1 ZINC001248839255 989189650 /nfs/dbraw/zinc/18/96/50/989189650.db2.gz BQJMCLATYSQAOW-SNVBAGLBSA-N 1 2 231.299 1.438 20 0 BDADLO Cc1ccc2nc(C[N@H+]3CC[C@@H](O)C3)[nH]c2c1 ZINC001248839255 989189658 /nfs/dbraw/zinc/18/96/58/989189658.db2.gz BQJMCLATYSQAOW-SNVBAGLBSA-N 1 2 231.299 1.438 20 0 BDADLO CCC[N@H+](CCOC)Cc1nonc1C ZINC001248856715 989197995 /nfs/dbraw/zinc/19/79/95/989197995.db2.gz PFXSKAHIOACNKF-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCC[N@@H+](CCOC)Cc1nonc1C ZINC001248856715 989198002 /nfs/dbraw/zinc/19/80/02/989198002.db2.gz PFXSKAHIOACNKF-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCCOCC2)n1 ZINC001248933192 989218694 /nfs/dbraw/zinc/21/86/94/989218694.db2.gz RVSHNHDWGIBFDC-UHFFFAOYSA-N 1 2 221.304 1.316 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCCOCC2)n1 ZINC001248933192 989218702 /nfs/dbraw/zinc/21/87/02/989218702.db2.gz RVSHNHDWGIBFDC-UHFFFAOYSA-N 1 2 221.304 1.316 20 0 BDADLO Cc1cncc(C[NH2+][C@@H](C)c2cc(CO)on2)c1 ZINC001119631284 989265544 /nfs/dbraw/zinc/26/55/44/989265544.db2.gz RIIYANOWXCYPPR-JTQLQIEISA-N 1 2 247.298 1.721 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CC[C@H](C)OC ZINC001518049132 989276844 /nfs/dbraw/zinc/27/68/44/989276844.db2.gz SBCRJRXHMFJUSG-JTQLQIEISA-N 1 2 240.303 1.761 20 0 BDADLO COc1ccc2[nH]c(C[N@@H+]3CC[C@@H](O)C3)nc2c1 ZINC001249410668 989277808 /nfs/dbraw/zinc/27/78/08/989277808.db2.gz BJTXGVFMQSQKKB-SECBINFHSA-N 1 2 247.298 1.138 20 0 BDADLO COc1ccc2[nH]c(C[N@H+]3CC[C@@H](O)C3)nc2c1 ZINC001249410668 989277816 /nfs/dbraw/zinc/27/78/16/989277816.db2.gz BJTXGVFMQSQKKB-SECBINFHSA-N 1 2 247.298 1.138 20 0 BDADLO COC(=O)c1csc(C[N@@H+](C)C(C)C)n1 ZINC001249472075 989289295 /nfs/dbraw/zinc/28/92/95/989289295.db2.gz UEZHUGNJQNYWEW-UHFFFAOYSA-N 1 2 228.317 1.770 20 0 BDADLO COC(=O)c1csc(C[N@H+](C)C(C)C)n1 ZINC001249472075 989289286 /nfs/dbraw/zinc/28/92/86/989289286.db2.gz UEZHUGNJQNYWEW-UHFFFAOYSA-N 1 2 228.317 1.770 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)COC(F)F ZINC001518366591 989296420 /nfs/dbraw/zinc/29/64/20/989296420.db2.gz RYAGTLSXRQLWMP-UHFFFAOYSA-N 1 2 230.214 1.298 20 0 BDADLO C[C@H](C(=O)N[C@H]1CC12CC2)n1cc[nH+]c1 ZINC001325902858 989302495 /nfs/dbraw/zinc/30/24/95/989302495.db2.gz IPSVQYZJFAQINK-BDAKNGLRSA-N 1 2 205.261 1.113 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1cc(C)sn1 ZINC001249581552 989313182 /nfs/dbraw/zinc/31/31/82/989313182.db2.gz LTNBMXZQARVGJH-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1cc(C)sn1 ZINC001249581552 989313189 /nfs/dbraw/zinc/31/31/89/989313189.db2.gz LTNBMXZQARVGJH-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CCC1(C)CN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001326009324 989325308 /nfs/dbraw/zinc/32/53/08/989325308.db2.gz CSMIXIDOXGIPPM-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO Nc1ccc(CNC(=O)C2(CF)CCC2)c[nH+]1 ZINC001119709325 989352525 /nfs/dbraw/zinc/35/25/25/989352525.db2.gz GAXGHUCHWCRDGP-UHFFFAOYSA-N 1 2 237.278 1.420 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC001119889058 989457798 /nfs/dbraw/zinc/45/77/98/989457798.db2.gz QZPRNQVTQWKMMQ-JQWIXIFHSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC001119889058 989457808 /nfs/dbraw/zinc/45/78/08/989457808.db2.gz QZPRNQVTQWKMMQ-JQWIXIFHSA-N 1 2 224.279 1.295 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001519826206 989461802 /nfs/dbraw/zinc/46/18/02/989461802.db2.gz WWSMMQHIMMMDCT-LLVKDONJSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)C(C)C ZINC001119962600 989513625 /nfs/dbraw/zinc/51/36/25/989513625.db2.gz OBGKJSXFHWTLSF-SNVBAGLBSA-N 1 2 231.336 1.323 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001520253336 989536765 /nfs/dbraw/zinc/53/67/65/989536765.db2.gz CSJLNGLKDNRDOT-JGPRNRPPSA-N 1 2 233.315 1.267 20 0 BDADLO C[C@@H](CC(=O)NC1(C)CC1)n1cc[nH+]c1 ZINC001326441369 989558346 /nfs/dbraw/zinc/55/83/46/989558346.db2.gz BPHPOSOXQLOMKC-VIFPVBQESA-N 1 2 207.277 1.503 20 0 BDADLO CN(C)c1cc(NC[C@@]2(C)CCCO2)[nH+]cn1 ZINC001120023714 989567072 /nfs/dbraw/zinc/56/70/72/989567072.db2.gz CDMWQUUKXYVHEK-GFCCVEGCSA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(NC[C@@]2(C)CCCO2)nc[nH+]1 ZINC001120023714 989567076 /nfs/dbraw/zinc/56/70/76/989567076.db2.gz CDMWQUUKXYVHEK-GFCCVEGCSA-N 1 2 236.319 1.524 20 0 BDADLO COC1(C[NH2+]C2(c3nc(C)no3)CC2)CCC1 ZINC001120073057 989590520 /nfs/dbraw/zinc/59/05/20/989590520.db2.gz XEVKOLYAASLJQQ-UHFFFAOYSA-N 1 2 237.303 1.526 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)C[C@H]([NH3+])C(F)F ZINC001522102461 989831161 /nfs/dbraw/zinc/83/11/61/989831161.db2.gz ZWNIPKOZPTZYRO-SFYZADRCSA-N 1 2 234.290 1.473 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC(F)F ZINC001522551647 989862905 /nfs/dbraw/zinc/86/29/05/989862905.db2.gz SCEXYPJDGUPRNE-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1(C)CC1 ZINC001120805947 989892148 /nfs/dbraw/zinc/89/21/48/989892148.db2.gz OWZXYIYWHRYNAB-MNOVXSKESA-N 1 2 247.342 1.750 20 0 BDADLO CCc1ccc(N2CC(=O)N(C)C[C@H]2C)[nH+]c1 ZINC001120838049 989913313 /nfs/dbraw/zinc/91/33/13/989913313.db2.gz CFOVWPZDBJESMK-SNVBAGLBSA-N 1 2 233.315 1.311 20 0 BDADLO Nc1cc(N2CC[C@@H]3OCCC[C@H]3C2)[nH+]cn1 ZINC001120911479 989963844 /nfs/dbraw/zinc/96/38/44/989963844.db2.gz UQDDGQFHGHGVDH-UWVGGRQHSA-N 1 2 234.303 1.064 20 0 BDADLO CCC1(CC(=O)OCc2c[nH+]cn2C)COC1 ZINC001524830432 990017651 /nfs/dbraw/zinc/01/76/51/990017651.db2.gz AZSMORCOJJZSOD-UHFFFAOYSA-N 1 2 238.287 1.280 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@H]1C ZINC001121139035 990022566 /nfs/dbraw/zinc/02/25/66/990022566.db2.gz HNWPFDXRFPCABI-XCBNKYQSSA-N 1 2 204.273 1.715 20 0 BDADLO Cc1noc(C)c1C(=O)Nc1c(C)c[nH+]cc1C ZINC001121231261 990054774 /nfs/dbraw/zinc/05/47/74/990054774.db2.gz KBDOYWIBFMRKPH-UHFFFAOYSA-N 1 2 245.282 1.977 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1=CCCC1 ZINC001528610397 990302602 /nfs/dbraw/zinc/30/26/02/990302602.db2.gz AWCHSKWZPFCXJM-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccnn1C1CC1)C(F)F ZINC001122297418 990328770 /nfs/dbraw/zinc/32/87/70/990328770.db2.gz LEILBQWJEYDCOQ-ZETCQYMHSA-N 1 2 244.245 1.139 20 0 BDADLO CC[C@H](F)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001529128458 990334115 /nfs/dbraw/zinc/33/41/15/990334115.db2.gz DXSDGDYHEKOCCM-VIFPVBQESA-N 1 2 243.282 1.101 20 0 BDADLO CCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001122350397 990352938 /nfs/dbraw/zinc/35/29/38/990352938.db2.gz YIBNQZFVCYEOGZ-SECBINFHSA-N 1 2 225.292 1.160 20 0 BDADLO COC/C(C)=C/C(=O)Nc1cccc2[nH+]ccn21 ZINC001538058276 990521251 /nfs/dbraw/zinc/52/12/51/990521251.db2.gz JLGUTODDWWLODW-CSKARUKUSA-N 1 2 245.282 1.866 20 0 BDADLO C[C@H](CC(=O)OC1CSC1)n1cc[nH+]c1 ZINC001123294709 990541141 /nfs/dbraw/zinc/54/11/41/990541141.db2.gz IUYMZJSPNMYDAZ-MRVPVSSYSA-N 1 2 226.301 1.493 20 0 BDADLO CC[C@@H](C)OCC(=O)OCc1c[nH+]cn1CC ZINC001123379810 990569856 /nfs/dbraw/zinc/56/98/56/990569856.db2.gz XZQBJXGWTUJYJJ-SNVBAGLBSA-N 1 2 240.303 1.761 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(O)c1 ZINC001540316303 990602557 /nfs/dbraw/zinc/60/25/57/990602557.db2.gz SGJOJJCHRPWNQI-NSHDSACASA-N 1 2 220.272 1.425 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(O)c1 ZINC001540316303 990602562 /nfs/dbraw/zinc/60/25/62/990602562.db2.gz SGJOJJCHRPWNQI-NSHDSACASA-N 1 2 220.272 1.425 20 0 BDADLO CCNc1cc(CNC(=O)N2CC[C@H]2C)cc[nH+]1 ZINC001123622105 990629893 /nfs/dbraw/zinc/62/98/93/990629893.db2.gz PBBQNVVGPCCDHF-SNVBAGLBSA-N 1 2 248.330 1.817 20 0 BDADLO CC(C)([NH3+])C[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001590832576 990683809 /nfs/dbraw/zinc/68/38/09/990683809.db2.gz SBPDLGGYVVBPJX-UHFFFAOYSA-N 1 2 248.326 1.480 20 0 BDADLO CC(C)([NH3+])C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001590832576 990683810 /nfs/dbraw/zinc/68/38/10/990683810.db2.gz SBPDLGGYVVBPJX-UHFFFAOYSA-N 1 2 248.326 1.480 20 0 BDADLO C=C/C=C\CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC001543797685 990704181 /nfs/dbraw/zinc/70/41/81/990704181.db2.gz WHSAMFXHWKAARL-ARJAWSKDSA-N 1 2 217.272 1.399 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1O ZINC001544981829 990740815 /nfs/dbraw/zinc/74/08/15/990740815.db2.gz BNWXJVYCXORYQO-JTQLQIEISA-N 1 2 220.272 1.425 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccccc1O ZINC001544981829 990740818 /nfs/dbraw/zinc/74/08/18/990740818.db2.gz BNWXJVYCXORYQO-JTQLQIEISA-N 1 2 220.272 1.425 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001548633694 990774700 /nfs/dbraw/zinc/77/47/00/990774700.db2.gz YZWIKFUALPGOQP-GFCCVEGCSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1cscc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001556448606 990827744 /nfs/dbraw/zinc/82/77/44/990827744.db2.gz BBZDHVILYAWNHN-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO O=C(CCCCCO)Nc1ccn2cc[nH+]c2c1 ZINC001556481999 990830501 /nfs/dbraw/zinc/83/05/01/990830501.db2.gz KNQHBLUSXAOHHI-UHFFFAOYSA-N 1 2 247.298 1.826 20 0 BDADLO O=C(CSC(F)F)N1CCn2c[nH+]cc2C1 ZINC001556884974 990861063 /nfs/dbraw/zinc/86/10/63/990861063.db2.gz PMRDXPDKHDXABI-UHFFFAOYSA-N 1 2 247.270 1.181 20 0 BDADLO Cc1ccc(C[NH+]2CC(C(N)=O)C2)c(F)c1F ZINC001137969789 990872670 /nfs/dbraw/zinc/87/26/70/990872670.db2.gz ISBLHGXNLDFHOU-UHFFFAOYSA-N 1 2 240.253 1.190 20 0 BDADLO CC(=O)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC001138037092 990876850 /nfs/dbraw/zinc/87/68/50/990876850.db2.gz JLWVEPKQOURMMW-UHFFFAOYSA-N 1 2 235.283 1.444 20 0 BDADLO CC(=O)Oc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001138043509 990877467 /nfs/dbraw/zinc/87/74/67/990877467.db2.gz WTWLCAHZXOIPFU-JSGCOSHPSA-N 1 2 247.294 1.585 20 0 BDADLO CC(=O)Oc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001138043509 990877470 /nfs/dbraw/zinc/87/74/70/990877470.db2.gz WTWLCAHZXOIPFU-JSGCOSHPSA-N 1 2 247.294 1.585 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC1CC=CC1 ZINC000831446132 990908095 /nfs/dbraw/zinc/90/80/95/990908095.db2.gz LDUOJWWEGKSVDG-UHFFFAOYSA-N 1 2 233.315 1.746 20 0 BDADLO Oc1cc(O)cc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC001138332777 990921072 /nfs/dbraw/zinc/92/10/72/990921072.db2.gz IJBRHIRLIZEBJQ-AWEZNQCLSA-N 1 2 249.310 1.709 20 0 BDADLO Oc1cc(O)cc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC001138332777 990921080 /nfs/dbraw/zinc/92/10/80/990921080.db2.gz IJBRHIRLIZEBJQ-AWEZNQCLSA-N 1 2 249.310 1.709 20 0 BDADLO Oc1cccnc1C[NH+]1CC2(C1)CCCCO2 ZINC001138391353 990930062 /nfs/dbraw/zinc/93/00/62/990930062.db2.gz VDKCFFOROYAWGX-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO Cc1[nH+]cc2n1CCN(Cc1ncccc1O)C2 ZINC001138390690 990931822 /nfs/dbraw/zinc/93/18/22/990931822.db2.gz FKBYATVDLJSLGK-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H](C)C(C)C)c[nH+]1 ZINC001558497704 990956478 /nfs/dbraw/zinc/95/64/78/990956478.db2.gz ZVNZANHKOWGXJV-SECBINFHSA-N 1 2 223.320 1.880 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H](C)C(C)C)[nH+]1 ZINC001558497704 990956486 /nfs/dbraw/zinc/95/64/86/990956486.db2.gz ZVNZANHKOWGXJV-SECBINFHSA-N 1 2 223.320 1.880 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cccnc2NC)C1 ZINC001138693855 991008379 /nfs/dbraw/zinc/00/83/79/991008379.db2.gz RTYYFOAFRTYCDC-UHFFFAOYSA-N 1 2 249.314 1.118 20 0 BDADLO C[N@H+](Cc1cnc2[nH]ccc2c1)C1COC1 ZINC001138741244 991026211 /nfs/dbraw/zinc/02/62/11/991026211.db2.gz UBUAEAVUMDKUBS-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1cnc2[nH]ccc2c1)C1COC1 ZINC001138741244 991026226 /nfs/dbraw/zinc/02/62/26/991026226.db2.gz UBUAEAVUMDKUBS-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCSC1=O ZINC001258180693 991079216 /nfs/dbraw/zinc/07/92/16/991079216.db2.gz SUBMAXRUGUKAFY-WPRPVWTQSA-N 1 2 225.313 1.832 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](C)Cc1ccco1 ZINC001258188757 991098855 /nfs/dbraw/zinc/09/88/55/991098855.db2.gz MMXPNURIDIBAAW-JTQLQIEISA-N 1 2 225.288 1.706 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H](C)Cc1ccco1 ZINC001258188757 991098858 /nfs/dbraw/zinc/09/88/58/991098858.db2.gz MMXPNURIDIBAAW-JTQLQIEISA-N 1 2 225.288 1.706 20 0 BDADLO COC(=O)c1cccc(C[NH2+]Cc2c[nH]cn2)c1 ZINC001308747491 991115237 /nfs/dbraw/zinc/11/52/37/991115237.db2.gz FZKGZWXACZUURK-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO COc1nscc1C[N@@H+]1CCCO[C@H](C)C1 ZINC001559521895 991136201 /nfs/dbraw/zinc/13/62/01/991136201.db2.gz RIPOUYZSXBPEQG-SECBINFHSA-N 1 2 242.344 1.763 20 0 BDADLO COc1nscc1C[N@H+]1CCCO[C@H](C)C1 ZINC001559521895 991136210 /nfs/dbraw/zinc/13/62/10/991136210.db2.gz RIPOUYZSXBPEQG-SECBINFHSA-N 1 2 242.344 1.763 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(CO)cs2)[C@H]1C ZINC001308790216 991136890 /nfs/dbraw/zinc/13/68/90/991136890.db2.gz PNTOKVCCLRUAPM-SFYZADRCSA-N 1 2 212.318 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(CO)cs2)[C@H]1C ZINC001308790216 991136896 /nfs/dbraw/zinc/13/68/96/991136896.db2.gz PNTOKVCCLRUAPM-SFYZADRCSA-N 1 2 212.318 1.476 20 0 BDADLO CSCC[C@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001258213856 991138354 /nfs/dbraw/zinc/13/83/54/991138354.db2.gz ZIPRUQGRIZWSGG-VIFPVBQESA-N 1 2 223.345 1.934 20 0 BDADLO CSCC[C@H](C)[N@H+]1Cc2cncnc2C1 ZINC001258213856 991138357 /nfs/dbraw/zinc/13/83/57/991138357.db2.gz ZIPRUQGRIZWSGG-VIFPVBQESA-N 1 2 223.345 1.934 20 0 BDADLO c1nc(C[NH+]2CC3(C2)CCOCC3)cn1C1CC1 ZINC001308808790 991143765 /nfs/dbraw/zinc/14/37/65/991143765.db2.gz DQJQTFBIRYNTBT-UHFFFAOYSA-N 1 2 247.342 1.830 20 0 BDADLO CCn1ccc(C[NH+]2CC3(CCC3)C2)n1 ZINC001308809608 991145894 /nfs/dbraw/zinc/14/58/94/991145894.db2.gz ORQPLQGFTPIBMR-UHFFFAOYSA-N 1 2 205.305 1.889 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cnc(N)s2)C[C@H]1F ZINC001139226212 991197803 /nfs/dbraw/zinc/19/78/03/991197803.db2.gz WAZNCHKSMGJYOG-PSASIEDQSA-N 1 2 247.314 1.997 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cnc(N)s2)C[C@H]1F ZINC001139226212 991197809 /nfs/dbraw/zinc/19/78/09/991197809.db2.gz WAZNCHKSMGJYOG-PSASIEDQSA-N 1 2 247.314 1.997 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@@H](C)O ZINC001258275133 991201409 /nfs/dbraw/zinc/20/14/09/991201409.db2.gz DYGMDHUZEXHYOD-VWYCJHECSA-N 1 2 243.347 1.467 20 0 BDADLO CCC1(C[N@H+]2C[C@@H](F)[C@@H](F)C2)COC1 ZINC001202926089 991230434 /nfs/dbraw/zinc/23/04/34/991230434.db2.gz HJPKGRFITPZSKV-DTORHVGOSA-N 1 2 205.248 1.405 20 0 BDADLO CCC1(C[N@@H+]2C[C@@H](F)[C@@H](F)C2)COC1 ZINC001202926089 991230442 /nfs/dbraw/zinc/23/04/42/991230442.db2.gz HJPKGRFITPZSKV-DTORHVGOSA-N 1 2 205.248 1.405 20 0 BDADLO CC(C)[NH2+][C@@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001308954971 991231901 /nfs/dbraw/zinc/23/19/01/991231901.db2.gz PHSIBVNICWOSGA-YFKPBYRVSA-N 1 2 222.214 1.883 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC001139463656 991245553 /nfs/dbraw/zinc/24/55/53/991245553.db2.gz HOOSBLXHLWJXOZ-SECBINFHSA-N 1 2 220.272 1.341 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC001139463656 991245555 /nfs/dbraw/zinc/24/55/55/991245555.db2.gz HOOSBLXHLWJXOZ-SECBINFHSA-N 1 2 220.272 1.341 20 0 BDADLO CN(C)c1ccc(C[N@H+](C)CCF)cn1 ZINC001139460993 991248894 /nfs/dbraw/zinc/24/88/94/991248894.db2.gz NMPDXXQOJUHVLA-UHFFFAOYSA-N 1 2 211.284 1.549 20 0 BDADLO CN(C)c1ccc(C[N@@H+](C)CCF)cn1 ZINC001139460993 991248904 /nfs/dbraw/zinc/24/89/04/991248904.db2.gz NMPDXXQOJUHVLA-UHFFFAOYSA-N 1 2 211.284 1.549 20 0 BDADLO Cc1cc(CN(C)C(=O)Cc2[nH]c[nH+]c2C)no1 ZINC001339548774 991282204 /nfs/dbraw/zinc/28/22/04/991282204.db2.gz LDSJRISFKUBECL-UHFFFAOYSA-N 1 2 248.286 1.216 20 0 BDADLO COc1ccncc1C[NH+]1CC2(CSC2)C1 ZINC001139609642 991293737 /nfs/dbraw/zinc/29/37/37/991293737.db2.gz MJCRHSWKRXOTFE-UHFFFAOYSA-N 1 2 236.340 1.639 20 0 BDADLO CCOc1ccncc1C[NH+]1CC2(C1)CCOC2 ZINC001139627604 991303116 /nfs/dbraw/zinc/30/31/16/991303116.db2.gz VWMFAAAGQJKNIG-UHFFFAOYSA-N 1 2 248.326 1.703 20 0 BDADLO COC(=O)CC[C@H](C)[N@@H+]1Cc2ccncc2C1 ZINC001258370073 991320092 /nfs/dbraw/zinc/32/00/92/991320092.db2.gz KPPQDIUNHLDFDU-JTQLQIEISA-N 1 2 234.299 1.739 20 0 BDADLO COC(=O)CC[C@H](C)[N@H+]1Cc2ccncc2C1 ZINC001258370073 991320100 /nfs/dbraw/zinc/32/01/00/991320100.db2.gz KPPQDIUNHLDFDU-JTQLQIEISA-N 1 2 234.299 1.739 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC001139713493 991335623 /nfs/dbraw/zinc/33/56/23/991335623.db2.gz GZIWMLHQICFKSS-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CCNC(=O)[C@@H]1C ZINC001139713493 991335629 /nfs/dbraw/zinc/33/56/29/991335629.db2.gz GZIWMLHQICFKSS-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Fc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccn1 ZINC001139835470 991395083 /nfs/dbraw/zinc/39/50/83/991395083.db2.gz ZPAJABNILSZYKJ-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cc(C[N@H+]2CC[C@@]23CCOC3)ccn1 ZINC001139835470 991395087 /nfs/dbraw/zinc/39/50/87/991395087.db2.gz ZPAJABNILSZYKJ-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C/C2CC2)nc[nH+]1 ZINC001328641026 991396352 /nfs/dbraw/zinc/39/63/52/991396352.db2.gz GPTCZIWBVSUJQH-VMZHVLLKSA-N 1 2 248.330 1.647 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C/C2CC2)[nH+]cn1 ZINC001328641026 991396359 /nfs/dbraw/zinc/39/63/59/991396359.db2.gz GPTCZIWBVSUJQH-VMZHVLLKSA-N 1 2 248.330 1.647 20 0 BDADLO COc1ccc(C[NH+]2CC=CC2)c(OC)n1 ZINC001139920065 991418680 /nfs/dbraw/zinc/41/86/80/991418680.db2.gz UQWRDKFTMHJUSB-UHFFFAOYSA-N 1 2 220.272 1.471 20 0 BDADLO F[C@H]1C[N@H+](Cc2cccnn2)C[C@@H]2C[C@@H]21 ZINC001139969307 991434925 /nfs/dbraw/zinc/43/49/25/991434925.db2.gz SMZVPXJLTSKRNY-LSJOCFKGSA-N 1 2 207.252 1.266 20 0 BDADLO F[C@H]1C[N@@H+](Cc2cccnn2)C[C@@H]2C[C@@H]21 ZINC001139969307 991434926 /nfs/dbraw/zinc/43/49/26/991434926.db2.gz SMZVPXJLTSKRNY-LSJOCFKGSA-N 1 2 207.252 1.266 20 0 BDADLO c1ccc2c(c1)C[NH+](Cc1cccnn1)C2 ZINC001139970155 991435824 /nfs/dbraw/zinc/43/58/24/991435824.db2.gz MLHDRHUBHYWGHZ-UHFFFAOYSA-N 1 2 211.268 1.992 20 0 BDADLO Clc1ncc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cn1 ZINC001139987800 991470517 /nfs/dbraw/zinc/47/05/17/991470517.db2.gz FOOABBUGRLIYGO-NXEZZACHSA-N 1 2 239.706 1.493 20 0 BDADLO Clc1ncc(C[N@H+]2CC[C@H]3OCC[C@H]32)cn1 ZINC001139987800 991470521 /nfs/dbraw/zinc/47/05/21/991470521.db2.gz FOOABBUGRLIYGO-NXEZZACHSA-N 1 2 239.706 1.493 20 0 BDADLO Nc1nccnc1C[N@@H+]1CCc2sccc2C1 ZINC001140010880 991482529 /nfs/dbraw/zinc/48/25/29/991482529.db2.gz APMIMZHBQUDAEA-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1nccnc1C[N@H+]1CCc2sccc2C1 ZINC001140010880 991482536 /nfs/dbraw/zinc/48/25/36/991482536.db2.gz APMIMZHBQUDAEA-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO CCc1nc(C[NH2+]Cc2nc(C)ccc2O)co1 ZINC001560474881 991483756 /nfs/dbraw/zinc/48/37/56/991483756.db2.gz HHIDJVATQJXGBU-UHFFFAOYSA-N 1 2 247.298 1.936 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nnnn2C)ccc1F ZINC001560610740 991514074 /nfs/dbraw/zinc/51/40/74/991514074.db2.gz GBJCIYZSVBLFOV-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO O=C1CCC[N@@H+](Cc2ccncc2O)CC1 ZINC001140274100 991579251 /nfs/dbraw/zinc/57/92/51/991579251.db2.gz UHNHRHALGUFCQZ-UHFFFAOYSA-N 1 2 220.272 1.342 20 0 BDADLO O=C1CCC[N@H+](Cc2ccncc2O)CC1 ZINC001140274100 991579261 /nfs/dbraw/zinc/57/92/61/991579261.db2.gz UHNHRHALGUFCQZ-UHFFFAOYSA-N 1 2 220.272 1.342 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccncc1O ZINC001140274245 991581907 /nfs/dbraw/zinc/58/19/07/991581907.db2.gz YIDCFCINWCYZIB-VIFPVBQESA-N 1 2 220.272 1.341 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccncc1O ZINC001140274245 991581915 /nfs/dbraw/zinc/58/19/15/991581915.db2.gz YIDCFCINWCYZIB-VIFPVBQESA-N 1 2 220.272 1.341 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC001560763005 991588505 /nfs/dbraw/zinc/58/85/05/991588505.db2.gz APSYLVAZXKOPRG-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO Oc1cnccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140278285 991599468 /nfs/dbraw/zinc/59/94/68/991599468.db2.gz BGKNXZZGUZYLOB-GHMZBOCLSA-N 1 2 220.272 1.150 20 0 BDADLO Oc1cnccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140278285 991599481 /nfs/dbraw/zinc/59/94/81/991599481.db2.gz BGKNXZZGUZYLOB-GHMZBOCLSA-N 1 2 220.272 1.150 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C=C(C)C)C1 ZINC001317997715 991605775 /nfs/dbraw/zinc/60/57/75/991605775.db2.gz DXDJJOPTDJWXFO-UHFFFAOYSA-N 1 2 222.332 1.719 20 0 BDADLO Cn1cnc2c1C[N@H+](Cc1ccncc1O)CC2 ZINC001140281806 991607067 /nfs/dbraw/zinc/60/70/67/991607067.db2.gz IHEFLXHOQYDZDN-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cnc2c1C[N@@H+](Cc1ccncc1O)CC2 ZINC001140281806 991607070 /nfs/dbraw/zinc/60/70/70/991607070.db2.gz IHEFLXHOQYDZDN-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(COC)CCCC2)C1 ZINC001318033499 991614265 /nfs/dbraw/zinc/61/42/65/991614265.db2.gz XDLKVQMWEFJTIQ-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC2(C1)CCOCC2 ZINC001560876129 991636524 /nfs/dbraw/zinc/63/65/24/991636524.db2.gz WSZFWUKMUZONNY-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO Cc1ccc(Cl)nc1C[NH+]1CC2(COC2)C1 ZINC001140441044 991637549 /nfs/dbraw/zinc/63/75/49/991637549.db2.gz FYXMWKDTCPSOOD-UHFFFAOYSA-N 1 2 238.718 1.876 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1CCC(CF)CC1 ZINC001140472110 991646759 /nfs/dbraw/zinc/64/67/59/991646759.db2.gz KJZICEAWIJUYGF-UHFFFAOYSA-N 1 2 241.266 1.069 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001140469690 991646985 /nfs/dbraw/zinc/64/69/85/991646985.db2.gz VVLYKMJAXZFWLM-UWVGGRQHSA-N 1 2 249.314 1.510 20 0 BDADLO C[C@@H](Cc1ccno1)[NH2+][C@@H](C)C(F)F ZINC001560983388 991676955 /nfs/dbraw/zinc/67/69/55/991676955.db2.gz BBPYCHSWMITQTN-BQBZGAKWSA-N 1 2 204.220 1.849 20 0 BDADLO CSCC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318609671 991686215 /nfs/dbraw/zinc/68/62/15/991686215.db2.gz BXKZRDYTLQCQKK-ZJUUUORDSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001563780470 991754953 /nfs/dbraw/zinc/75/49/53/991754953.db2.gz CTDGPJZAHQQLKL-PSASIEDQSA-N 1 2 234.303 1.119 20 0 BDADLO COC(C)(C)CN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319094277 991782897 /nfs/dbraw/zinc/78/28/97/991782897.db2.gz DYOLJDHWOAHGNB-SNVBAGLBSA-N 1 2 239.319 1.328 20 0 BDADLO Cc1nnc(C[N@@H+]2CC(C)(C)C2(C)C)o1 ZINC001319106552 991789637 /nfs/dbraw/zinc/78/96/37/991789637.db2.gz BWCOENXKYQRLSP-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nnc(C[N@H+]2CC(C)(C)C2(C)C)o1 ZINC001319106552 991789648 /nfs/dbraw/zinc/78/96/48/991789648.db2.gz BWCOENXKYQRLSP-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO C[C@@H]1CN(C(=O)c2cnoc2C2CC2)CC[N@@H+]1C ZINC001565731332 991803653 /nfs/dbraw/zinc/80/36/53/991803653.db2.gz CAQPCGIPWSXFJC-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1CN(C(=O)c2cnoc2C2CC2)CC[N@H+]1C ZINC001565731332 991803658 /nfs/dbraw/zinc/80/36/58/991803658.db2.gz CAQPCGIPWSXFJC-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H](C(=O)N1CCOC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC001319570385 991895958 /nfs/dbraw/zinc/89/59/58/991895958.db2.gz STKQDSSVDSPYHK-ZYHUDNBSSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1nc([C@@H](C)NC(=O)[C@H](C)n2cc[nH+]c2)no1 ZINC001319757812 991965449 /nfs/dbraw/zinc/96/54/49/991965449.db2.gz JHIZXISBXDREQT-SFYZADRCSA-N 1 2 249.274 1.013 20 0 BDADLO CCC[N@H+](CCNC(C)=O)Cc1coc(C)n1 ZINC001567421274 992035613 /nfs/dbraw/zinc/03/56/13/992035613.db2.gz QFVKWPMNPJMYQQ-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO CCC[N@@H+](CCNC(C)=O)Cc1coc(C)n1 ZINC001567421274 992035624 /nfs/dbraw/zinc/03/56/24/992035624.db2.gz QFVKWPMNPJMYQQ-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)[nH]n1 ZINC001320026703 992074713 /nfs/dbraw/zinc/07/47/13/992074713.db2.gz VULVATGYQAATDC-KWQFWETISA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)[nH]n1 ZINC001320026703 992074722 /nfs/dbraw/zinc/07/47/22/992074722.db2.gz VULVATGYQAATDC-KWQFWETISA-N 1 2 211.284 1.898 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cn[nH]c1 ZINC001568610061 992197990 /nfs/dbraw/zinc/19/79/90/992197990.db2.gz GBLWYRVCNFXYCS-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CC(C)c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001320470138 992215033 /nfs/dbraw/zinc/21/50/33/992215033.db2.gz QTCHRRWJVRSHCY-QMMMGPOBSA-N 1 2 206.249 1.999 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCc1ccccn1)C1CC1 ZINC001261504193 992352199 /nfs/dbraw/zinc/35/21/99/992352199.db2.gz ACGTVYNHBFUBHC-CYBMUJFWSA-N 1 2 248.326 1.555 20 0 BDADLO Cc1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)n[nH]1 ZINC001320967161 992419293 /nfs/dbraw/zinc/41/92/93/992419293.db2.gz AVZVDUTZTIYYKC-ZDUSSCGKSA-N 1 2 249.358 1.967 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CCSC1)n1cc[nH+]c1 ZINC001321046007 992436336 /nfs/dbraw/zinc/43/63/36/992436336.db2.gz GBVSUJWURHGQQN-NXEZZACHSA-N 1 2 239.344 1.313 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001261667168 992446552 /nfs/dbraw/zinc/44/65/52/992446552.db2.gz NCMHHQGDOIIWGV-ZJUUUORDSA-N 1 2 225.292 1.633 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C)CC1 ZINC001321079083 992447470 /nfs/dbraw/zinc/44/74/70/992447470.db2.gz DSFOKMZOQPPCNM-UHFFFAOYSA-N 1 2 207.277 1.021 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)[nH]n1 ZINC001261682972 992460580 /nfs/dbraw/zinc/46/05/80/992460580.db2.gz SJYKXWDMRZBGPW-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)[nH]n1 ZINC001261682972 992460585 /nfs/dbraw/zinc/46/05/85/992460585.db2.gz SJYKXWDMRZBGPW-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H](F)C2)nc(N)[nH+]1 ZINC001261851074 992544649 /nfs/dbraw/zinc/54/46/49/992544649.db2.gz HWWYMJZEDCVAIC-YUMQZZPRSA-N 1 2 225.271 1.455 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@H](F)C2)[nH+]1 ZINC001261851074 992544655 /nfs/dbraw/zinc/54/46/55/992544655.db2.gz HWWYMJZEDCVAIC-YUMQZZPRSA-N 1 2 225.271 1.455 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)CC2 ZINC001262014424 992604044 /nfs/dbraw/zinc/60/40/44/992604044.db2.gz HVUCKAZXZQJOEV-KWCYVHTRSA-N 1 2 247.342 1.656 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)CC2 ZINC001262014424 992604054 /nfs/dbraw/zinc/60/40/54/992604054.db2.gz HVUCKAZXZQJOEV-KWCYVHTRSA-N 1 2 247.342 1.656 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(C(=O)[O-])C2)C1 ZINC001573406678 992613650 /nfs/dbraw/zinc/61/36/50/992613650.db2.gz CMEQWKCHXOZATK-YVNMAJEFSA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(C(=O)[O-])C2)C1 ZINC001573406678 992613652 /nfs/dbraw/zinc/61/36/52/992613652.db2.gz CMEQWKCHXOZATK-YVNMAJEFSA-N 1 2 240.347 1.312 20 0 BDADLO CCc1cccc(OC)c1COC(=O)C[NH2+]C ZINC001573832208 992728274 /nfs/dbraw/zinc/72/82/74/992728274.db2.gz LGEOUAJGSDTVEH-UHFFFAOYSA-N 1 2 237.299 1.520 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCC(F)F ZINC001262206102 992801665 /nfs/dbraw/zinc/80/16/65/992801665.db2.gz PEUSJQZKPUHXKO-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO C[C@@H](C(=O)NCCCC(F)F)n1cc[nH+]c1 ZINC001262206292 992801633 /nfs/dbraw/zinc/80/16/33/992801633.db2.gz WWBMLHCVRZHIFD-QMMMGPOBSA-N 1 2 231.246 1.606 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cc(CO)on2)ccn1 ZINC001262205469 992802049 /nfs/dbraw/zinc/80/20/49/992802049.db2.gz UBASVCRKJUTMNK-JTQLQIEISA-N 1 2 247.298 1.721 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332924 992841212 /nfs/dbraw/zinc/84/12/12/992841212.db2.gz OXUXMLVUMJBMKA-VXGBXAGGSA-N 1 2 238.335 1.468 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001262332924 992841215 /nfs/dbraw/zinc/84/12/15/992841215.db2.gz OXUXMLVUMJBMKA-VXGBXAGGSA-N 1 2 238.335 1.468 20 0 BDADLO CC(=O)C[N@@H+]1CCc2cccc(N)c2C1 ZINC001574979824 992957650 /nfs/dbraw/zinc/95/76/50/992957650.db2.gz FEUVEEMKARUCRY-UHFFFAOYSA-N 1 2 204.273 1.216 20 0 BDADLO CC(=O)C[N@H+]1CCc2cccc(N)c2C1 ZINC001574979824 992957657 /nfs/dbraw/zinc/95/76/57/992957657.db2.gz FEUVEEMKARUCRY-UHFFFAOYSA-N 1 2 204.273 1.216 20 0 BDADLO Cc1cc(F)cc(N(C)CC(=O)NC(C)C)[nH+]1 ZINC001262676735 993017959 /nfs/dbraw/zinc/01/79/59/993017959.db2.gz NTGRKOBXPRGGDK-UHFFFAOYSA-N 1 2 239.294 1.490 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC001262735074 993055724 /nfs/dbraw/zinc/05/57/24/993055724.db2.gz RASUFODXFWHANM-AAEUAGOBSA-N 1 2 248.326 1.874 20 0 BDADLO CN(c1nnc(C[NH+]2CCCCC2)n1C)C1CC1 ZINC001262902535 993088740 /nfs/dbraw/zinc/08/87/40/993088740.db2.gz HXDHBGPHDGNUIG-UHFFFAOYSA-N 1 2 249.362 1.400 20 0 BDADLO CCNC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000585335958 993257905 /nfs/dbraw/zinc/25/79/05/993257905.db2.gz OZEXKARRDWYMKU-LBPRGKRZSA-N 1 2 249.314 1.654 20 0 BDADLO Cc1cc(NCCOCCO)[nH+]c2ccccc12 ZINC000380787533 993348410 /nfs/dbraw/zinc/34/84/10/993348410.db2.gz ZCNRJERCTQRTNF-UHFFFAOYSA-N 1 2 246.310 1.386 20 0 BDADLO CC(C)OCCNc1cc2cc[nH]c2c[nH+]1 ZINC000381021489 993363915 /nfs/dbraw/zinc/36/39/15/993363915.db2.gz AGJNGHVIZLOFMM-UHFFFAOYSA-N 1 2 219.288 1.822 20 0 BDADLO CCOc1ccc[nH+]c1NCCn1cnnc1 ZINC000381263416 993382094 /nfs/dbraw/zinc/38/20/94/993382094.db2.gz FNWQNHLXIYILFZ-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO COC[C@H](CO)Nc1cc(C)c2ccccc2[nH+]1 ZINC000382134276 993439602 /nfs/dbraw/zinc/43/96/02/993439602.db2.gz LGSFULVTCPJHEM-NSHDSACASA-N 1 2 246.310 1.384 20 0 BDADLO CCOC1C[NH+](Cc2ccc(OC)c(N)c2)C1 ZINC000383337160 993490661 /nfs/dbraw/zinc/49/06/61/993490661.db2.gz PJSJPNCHMSIZTB-UHFFFAOYSA-N 1 2 236.315 1.498 20 0 BDADLO CC1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001263866086 993566615 /nfs/dbraw/zinc/56/66/15/993566615.db2.gz CWIWPDGUXYMGNN-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C[NH2+][C@@](C)(CC(=O)[O-])C1CC1 ZINC001598602549 993582092 /nfs/dbraw/zinc/58/20/92/993582092.db2.gz DCCHXRBZEMRNSA-YPMHNXCESA-N 1 2 240.347 1.314 20 0 BDADLO C[N@H+]1CCC[C@@H]1C[NH2+][C@@](C)(CC(=O)[O-])C1CC1 ZINC001598602549 993582096 /nfs/dbraw/zinc/58/20/96/993582096.db2.gz DCCHXRBZEMRNSA-YPMHNXCESA-N 1 2 240.347 1.314 20 0 BDADLO Cc1cccc(C[NH2+]Cc2nncn2C)c1F ZINC000384430006 993582378 /nfs/dbraw/zinc/58/23/78/993582378.db2.gz CINPKTYQDNBSDZ-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CC(C(=O)NCCc1[nH+]ccn1C)=C1CCCC1 ZINC001263918816 993602840 /nfs/dbraw/zinc/60/28/40/993602840.db2.gz VRYKPWBBRDSXLL-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO CCCC[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001263922144 993606772 /nfs/dbraw/zinc/60/67/72/993606772.db2.gz QTVIOUVMDVPWSE-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO CN(C)c1ccc(NC[C@H](O)C(F)(F)F)c[nH+]1 ZINC000387335563 993704766 /nfs/dbraw/zinc/70/47/66/993704766.db2.gz PEWZIDBPOPCSKH-QMMMGPOBSA-N 1 2 249.236 1.483 20 0 BDADLO CN(C)c1ccc(NC[C@H](O)C(C)(C)C)c[nH+]1 ZINC000387382657 993707538 /nfs/dbraw/zinc/70/75/38/993707538.db2.gz YTFBCEFAZNNEDX-NSHDSACASA-N 1 2 237.347 1.967 20 0 BDADLO CNc1ccccc1C(=O)NCc1c[nH+]cn1C ZINC000388496912 993732476 /nfs/dbraw/zinc/73/24/76/993732476.db2.gz KNLGHPBOUCHAOW-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO Cc1c[nH+]c(NC[C@@H]2COCCN2C)c(C)c1 ZINC000700196857 993823111 /nfs/dbraw/zinc/82/31/11/993823111.db2.gz DZFHFJMIAVTXLF-GFCCVEGCSA-N 1 2 235.331 1.441 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C(C)(C)C ZINC001316607207 994139565 /nfs/dbraw/zinc/13/95/65/994139565.db2.gz RKTDIKBGRAKUIA-SNVBAGLBSA-N 1 2 230.327 1.535 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)C(C)(C)C ZINC001316607207 994139575 /nfs/dbraw/zinc/13/95/75/994139575.db2.gz RKTDIKBGRAKUIA-SNVBAGLBSA-N 1 2 230.327 1.535 20 0 BDADLO C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593268178 994593669 /nfs/dbraw/zinc/59/36/69/994593669.db2.gz UFHLPVOOLBCNBG-FIQHERPVSA-N 1 2 240.347 1.170 20 0 BDADLO C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593268178 994593677 /nfs/dbraw/zinc/59/36/77/994593677.db2.gz UFHLPVOOLBCNBG-FIQHERPVSA-N 1 2 240.347 1.170 20 0 BDADLO C[C@H]([NH2+]CC[NH3+])c1cc(C(=O)[O-])cs1 ZINC001593268999 994596443 /nfs/dbraw/zinc/59/64/43/994596443.db2.gz YLWMQMLTEKUCSJ-LURJTMIESA-N 1 2 214.290 1.056 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC1(C)C ZINC001294292168 994691657 /nfs/dbraw/zinc/69/16/57/994691657.db2.gz IAOUAAYHQCFRJP-LLVKDONJSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C=CCCC1 ZINC001294731652 994711737 /nfs/dbraw/zinc/71/17/37/994711737.db2.gz VHNANYGVIWIULE-SNVBAGLBSA-N 1 2 219.288 1.486 20 0 BDADLO CC1(C2(NC(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001297803002 994884983 /nfs/dbraw/zinc/88/49/83/994884983.db2.gz GPQXTZAFAUFKQZ-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CC(C)c1coc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001298163485 994907188 /nfs/dbraw/zinc/90/71/88/994907188.db2.gz IECKBFNGEJVKIR-SNVBAGLBSA-N 1 2 237.303 1.831 20 0 BDADLO CC(C)c1coc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001298163485 994907203 /nfs/dbraw/zinc/90/72/03/994907203.db2.gz IECKBFNGEJVKIR-SNVBAGLBSA-N 1 2 237.303 1.831 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 ZINC001299910897 994978959 /nfs/dbraw/zinc/97/89/59/994978959.db2.gz GECKYUMWSUUNTO-IQJOONFLSA-N 1 2 248.330 1.566 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 ZINC001299910897 994978968 /nfs/dbraw/zinc/97/89/68/994978968.db2.gz GECKYUMWSUUNTO-IQJOONFLSA-N 1 2 248.330 1.566 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnn(C2CCC2)c1 ZINC001304076764 995186428 /nfs/dbraw/zinc/18/64/28/995186428.db2.gz BCIATZVQZOGNIK-LBPRGKRZSA-N 1 2 248.330 1.641 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnn(C2CCC2)c1 ZINC001304076764 995186434 /nfs/dbraw/zinc/18/64/34/995186434.db2.gz BCIATZVQZOGNIK-LBPRGKRZSA-N 1 2 248.330 1.641 20 0 BDADLO CCc1ccc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]c1 ZINC001337869016 995222740 /nfs/dbraw/zinc/22/27/40/995222740.db2.gz URSYUJWZSQCJGO-TXEJJXNPSA-N 1 2 234.299 1.248 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1ncccn1 ZINC001308036932 995528116 /nfs/dbraw/zinc/52/81/16/995528116.db2.gz VZIQHBLLSBATST-LBPRGKRZSA-N 1 2 237.347 1.970 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1ncccn1 ZINC001308036932 995528125 /nfs/dbraw/zinc/52/81/25/995528125.db2.gz VZIQHBLLSBATST-LBPRGKRZSA-N 1 2 237.347 1.970 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2nnnn2C)cc1F ZINC001308136985 995565342 /nfs/dbraw/zinc/56/53/42/995565342.db2.gz WQYZFYRFEJWOEJ-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cn1nnc(C[N@@H+]2CC=CC23CCCCC3)n1 ZINC001308171892 995589999 /nfs/dbraw/zinc/58/99/99/995589999.db2.gz RLBQNFCTPVAIGC-UHFFFAOYSA-N 1 2 233.319 1.285 20 0 BDADLO Cn1nnc(C[N@H+]2CC=CC23CCCCC3)n1 ZINC001308171892 995590004 /nfs/dbraw/zinc/59/00/04/995590004.db2.gz RLBQNFCTPVAIGC-UHFFFAOYSA-N 1 2 233.319 1.285 20 0 BDADLO C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594387446 999465731 /nfs/dbraw/zinc/46/57/31/999465731.db2.gz KZQFXNKZSFBJJV-IJLUTSLNSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594387446 999465733 /nfs/dbraw/zinc/46/57/33/999465733.db2.gz KZQFXNKZSFBJJV-IJLUTSLNSA-N 1 2 240.347 1.314 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602126369 349456218 /nfs/dbraw/zinc/45/62/18/349456218.db2.gz ASEJWRGRTVBWPS-DJLDLDEBSA-N 1 2 239.344 1.381 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602126369 349456221 /nfs/dbraw/zinc/45/62/21/349456221.db2.gz ASEJWRGRTVBWPS-DJLDLDEBSA-N 1 2 239.344 1.381 20 0 BDADLO CC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC000340570794 398145846 /nfs/dbraw/zinc/14/58/46/398145846.db2.gz PNVHNUNEOXJISR-RYUDHWBXSA-N 1 2 235.331 1.609 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H](C)CCO)n1C1CC1 ZINC000649866956 398147710 /nfs/dbraw/zinc/14/77/10/398147710.db2.gz APAHOKKLXZSFOP-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H](C)CCO)n1C1CC1 ZINC000649866956 398147713 /nfs/dbraw/zinc/14/77/13/398147713.db2.gz APAHOKKLXZSFOP-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC1(C)C ZINC000228663687 136214122 /nfs/dbraw/zinc/21/41/22/136214122.db2.gz DDFATXBDSWYKKB-MRVPVSSYSA-N 1 2 207.277 1.414 20 0 BDADLO C[C@@H](N[C@@H](C)C(F)F)c1[nH+]ccn1C ZINC000389908856 398148670 /nfs/dbraw/zinc/14/86/70/398148670.db2.gz CZKHCCBEAQOFAZ-NKWVEPMBSA-N 1 2 203.236 1.724 20 0 BDADLO C[C@H](F)CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000338743810 398148805 /nfs/dbraw/zinc/14/88/05/398148805.db2.gz AUZBINZVUYLIAY-VIFPVBQESA-N 1 2 238.310 1.880 20 0 BDADLO C[C@H](F)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000338743810 398148808 /nfs/dbraw/zinc/14/88/08/398148808.db2.gz AUZBINZVUYLIAY-VIFPVBQESA-N 1 2 238.310 1.880 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000649867914 398151556 /nfs/dbraw/zinc/15/15/56/398151556.db2.gz VCRHYWQWDAJBFY-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000649867914 398151562 /nfs/dbraw/zinc/15/15/62/398151562.db2.gz VCRHYWQWDAJBFY-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO Cc1cc(C[NH2+]C2(C(N)=O)CCCCC2)no1 ZINC000122900797 178018577 /nfs/dbraw/zinc/01/85/77/178018577.db2.gz ILTIEUFXWQYJJF-UHFFFAOYSA-N 1 2 237.303 1.261 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000649897657 398169807 /nfs/dbraw/zinc/16/98/07/398169807.db2.gz CIMOUTSKFFKMKA-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000649897657 398169809 /nfs/dbraw/zinc/16/98/09/398169809.db2.gz CIMOUTSKFFKMKA-LBPRGKRZSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cc(C[NH2+]Cc2nncn2C)ccc1F ZINC000050545596 178028646 /nfs/dbraw/zinc/02/86/46/178028646.db2.gz GJASEJNDCCBOMA-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cc1cc(CNCc2[nH+]cc(C)n2C)on1 ZINC000309856955 178028849 /nfs/dbraw/zinc/02/88/49/178028849.db2.gz KWVTYOMKBUAPBE-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)o1 ZINC000649900304 398171018 /nfs/dbraw/zinc/17/10/18/398171018.db2.gz XWLIQJWQKALIMU-SECBINFHSA-N 1 2 229.230 1.609 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)o1 ZINC000649900304 398171021 /nfs/dbraw/zinc/17/10/21/398171021.db2.gz XWLIQJWQKALIMU-SECBINFHSA-N 1 2 229.230 1.609 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)no1 ZINC000519388941 398171203 /nfs/dbraw/zinc/17/12/03/398171203.db2.gz PIFYHJJMSDXNOZ-HRDYMLBCSA-N 1 2 243.307 1.026 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)no1 ZINC000649902552 398175698 /nfs/dbraw/zinc/17/56/98/398175698.db2.gz CBBHDHCFVDAVQO-JTQLQIEISA-N 1 2 243.257 1.863 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@]3(CC3(F)F)C2)no1 ZINC000649902552 398175701 /nfs/dbraw/zinc/17/57/01/398175701.db2.gz CBBHDHCFVDAVQO-JTQLQIEISA-N 1 2 243.257 1.863 20 0 BDADLO c1nc(CCNc2[nH]c3ccccc3[nH+]2)n[nH]1 ZINC000080590209 398182205 /nfs/dbraw/zinc/18/22/05/398182205.db2.gz FLXOLBMEWMRLKH-UHFFFAOYSA-N 1 2 228.259 1.336 20 0 BDADLO CC(C)c1nc(N[C@H]2CC[C@@H](CO)C2)cc[nH+]1 ZINC000450640002 398162833 /nfs/dbraw/zinc/16/28/33/398162833.db2.gz BVABKMCKNGBMAU-MNOVXSKESA-N 1 2 235.331 1.595 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCCCF ZINC000649885721 398164310 /nfs/dbraw/zinc/16/43/10/398164310.db2.gz YOLVHBWILRFPHN-LBPRGKRZSA-N 1 2 241.310 1.543 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CCCCF ZINC000649885721 398164314 /nfs/dbraw/zinc/16/43/14/398164314.db2.gz YOLVHBWILRFPHN-LBPRGKRZSA-N 1 2 241.310 1.543 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+](C)C[C@H](C)O)cs1 ZINC000245456610 398165512 /nfs/dbraw/zinc/16/55/12/398165512.db2.gz BKMHGUPHZDSXEQ-IUCAKERBSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](C)O)cs1 ZINC000245456610 398165514 /nfs/dbraw/zinc/16/55/14/398165514.db2.gz BKMHGUPHZDSXEQ-IUCAKERBSA-N 1 2 244.360 1.663 20 0 BDADLO CCc1nnc(C[NH+]2C[C@H](C)[C@@H]2C)s1 ZINC000645219002 398188110 /nfs/dbraw/zinc/18/81/10/398188110.db2.gz DRHXRJFKAHPFRP-YUMQZZPRSA-N 1 2 211.334 1.941 20 0 BDADLO C[C@H]1CC[C@H](CNc2nc[nH+]c(N)c2Cl)O1 ZINC000397912935 488170953 /nfs/dbraw/zinc/17/09/53/488170953.db2.gz FGQPQBXJCQQYDY-NKWVEPMBSA-N 1 2 242.710 1.114 20 0 BDADLO C[C@H]1CC[C@H](CNc2[nH+]cnc(N)c2Cl)O1 ZINC000397912935 488170960 /nfs/dbraw/zinc/17/09/60/488170960.db2.gz FGQPQBXJCQQYDY-NKWVEPMBSA-N 1 2 242.710 1.114 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000649938184 398191800 /nfs/dbraw/zinc/19/18/00/398191800.db2.gz REENQEPGBQMCKP-MXWKQRLJSA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000649938184 398191802 /nfs/dbraw/zinc/19/18/02/398191802.db2.gz REENQEPGBQMCKP-MXWKQRLJSA-N 1 2 230.327 1.724 20 0 BDADLO c1ncc(C[N@@H+]2CCOCC23CCCC3)cn1 ZINC000271163443 538923634 /nfs/dbraw/zinc/92/36/34/538923634.db2.gz AMTMPZGOALJNHG-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO c1ncc(C[N@H+]2CCOCC23CCCC3)cn1 ZINC000271163443 538923635 /nfs/dbraw/zinc/92/36/35/538923635.db2.gz AMTMPZGOALJNHG-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO Cc1cc(NC(=O)[C@]2(O)CCSC2)cc[nH+]1 ZINC000270993283 538923031 /nfs/dbraw/zinc/92/30/31/538923031.db2.gz OFJFUJXQMZISOT-NSHDSACASA-N 1 2 238.312 1.197 20 0 BDADLO CC[C@@H](C[N@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000576238153 365533696 /nfs/dbraw/zinc/53/36/96/365533696.db2.gz WLNNDJKHNUTBFP-SCZZXKLOSA-N 1 2 227.308 1.796 20 0 BDADLO CC[C@@H](C[N@@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000576238153 365533702 /nfs/dbraw/zinc/53/37/02/365533702.db2.gz WLNNDJKHNUTBFP-SCZZXKLOSA-N 1 2 227.308 1.796 20 0 BDADLO CCC(C)(C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000558707838 398198157 /nfs/dbraw/zinc/19/81/57/398198157.db2.gz JFAJATUMJKBXIZ-UHFFFAOYSA-N 1 2 223.320 1.610 20 0 BDADLO Cc1cc(N)nc(S[C@@H](C)[C@@H](C)O)[nH+]1 ZINC000131984502 178109555 /nfs/dbraw/zinc/10/95/55/178109555.db2.gz GZILAOYRSWGGSI-RQJHMYQMSA-N 1 2 213.306 1.229 20 0 BDADLO Cc1cc(N2CCNC(=O)[C@H]2CC(C)C)nc[nH+]1 ZINC000302516960 178116185 /nfs/dbraw/zinc/11/61/85/178116185.db2.gz VSXVTNQZOPADML-LLVKDONJSA-N 1 2 248.330 1.136 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1ccccc1C1CC1 ZINC000398341211 398200848 /nfs/dbraw/zinc/20/08/48/398200848.db2.gz GOPUTEMBMJTTIU-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO c1[nH]nnc1C[NH2+]Cc1ccccc1C1CC1 ZINC000398341211 398200850 /nfs/dbraw/zinc/20/08/50/398200850.db2.gz GOPUTEMBMJTTIU-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO c1n[nH]nc1C[NH2+]Cc1ccccc1C1CC1 ZINC000398341211 398200851 /nfs/dbraw/zinc/20/08/51/398200851.db2.gz GOPUTEMBMJTTIU-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO Cc1cc(N2CC[C@@H](n3cccn3)C2)nc[nH+]1 ZINC000359969369 178118125 /nfs/dbraw/zinc/11/81/25/178118125.db2.gz UUXVCBMGTHGJDQ-LLVKDONJSA-N 1 2 229.287 1.433 20 0 BDADLO Cc1cc(NC(=O)C2(O)CCCC2)cc[nH+]1 ZINC000299232595 178124669 /nfs/dbraw/zinc/12/46/69/178124669.db2.gz RIVJHVROHAHUCZ-UHFFFAOYSA-N 1 2 220.272 1.634 20 0 BDADLO CC1(C)CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000072828149 343982852 /nfs/dbraw/zinc/98/28/52/343982852.db2.gz RBIWPBCCCXESPK-UHFFFAOYSA-N 1 2 240.332 1.209 20 0 BDADLO CC1(C)CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000072828149 343982854 /nfs/dbraw/zinc/98/28/54/343982854.db2.gz RBIWPBCCCXESPK-UHFFFAOYSA-N 1 2 240.332 1.209 20 0 BDADLO Cc1cc(NC(=O)C2CCOCC2)cc[nH+]1 ZINC000070890230 178126993 /nfs/dbraw/zinc/12/69/93/178126993.db2.gz HRTCPNCLCKQNTO-UHFFFAOYSA-N 1 2 220.272 1.755 20 0 BDADLO Cc1cc(NC(=O)NCC2CCOCC2)cc[nH+]1 ZINC000179831410 178138903 /nfs/dbraw/zinc/13/89/03/178138903.db2.gz NXIIMAYPLFNFOX-UHFFFAOYSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)n(C)n1 ZINC000293056655 178133229 /nfs/dbraw/zinc/13/32/29/178133229.db2.gz RXVXLSYCMYNRDD-WCBMZHEXSA-N 1 2 236.319 1.007 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)n(C)n1 ZINC000293056655 178133231 /nfs/dbraw/zinc/13/32/31/178133231.db2.gz RXVXLSYCMYNRDD-WCBMZHEXSA-N 1 2 236.319 1.007 20 0 BDADLO Cc1cc(NC(=O)C[C@H]2CCCC(=O)N2)cc[nH+]1 ZINC000289300188 178134312 /nfs/dbraw/zinc/13/43/12/178134312.db2.gz SABGOIHITKLHSS-SNVBAGLBSA-N 1 2 247.298 1.387 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000287004803 178136404 /nfs/dbraw/zinc/13/64/04/178136404.db2.gz HHWLLYRKRGXINW-VXGBXAGGSA-N 1 2 249.314 1.767 20 0 BDADLO Cc1cc(NC(=O)N(CCO)C2CCC2)cc[nH+]1 ZINC000276150033 178136706 /nfs/dbraw/zinc/13/67/06/178136706.db2.gz QAHSQUWSBOHJLI-UHFFFAOYSA-N 1 2 249.314 1.769 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H]2CO)cc[nH+]1 ZINC000270993516 178137485 /nfs/dbraw/zinc/13/74/85/178137485.db2.gz DUEZAXMHKMLUPU-NSHDSACASA-N 1 2 235.287 1.379 20 0 BDADLO Cc1cc(NC(=O)NCc2cnn(C)c2)cc[nH+]1 ZINC000179833567 178140382 /nfs/dbraw/zinc/14/03/82/178140382.db2.gz YPIYETMPLCCRHM-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cc1cc(NC(=O)NOC(C)C)cc[nH+]1 ZINC000297798237 178141080 /nfs/dbraw/zinc/14/10/80/178141080.db2.gz OWOPZXFNGFFSGQ-UHFFFAOYSA-N 1 2 209.249 1.852 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000189256753 178141975 /nfs/dbraw/zinc/14/19/75/178141975.db2.gz FRCHYYNICGEJCQ-RYUDHWBXSA-N 1 2 249.314 1.815 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)on1 ZINC000293403660 178147183 /nfs/dbraw/zinc/14/71/83/178147183.db2.gz LTHNQHBOQCOFDQ-QNSHHTMESA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)on1 ZINC000293403660 178147184 /nfs/dbraw/zinc/14/71/84/178147184.db2.gz LTHNQHBOQCOFDQ-QNSHHTMESA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(NC[C@@H](C)O)nc(C(C)C)[nH+]1 ZINC000035121323 178164907 /nfs/dbraw/zinc/16/49/07/178164907.db2.gz TZEMXQDQRDPLTP-SECBINFHSA-N 1 2 209.293 1.701 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000650012115 398219174 /nfs/dbraw/zinc/21/91/74/398219174.db2.gz FYHWMSJOGLTFQP-KXUCPTDWSA-N 1 2 207.277 1.359 20 0 BDADLO Cc1cc(NCC(=O)N2CCCCC2)nc[nH+]1 ZINC000134643133 178154264 /nfs/dbraw/zinc/15/42/64/178154264.db2.gz KUVZVLNHRYDHAB-UHFFFAOYSA-N 1 2 234.303 1.209 20 0 BDADLO COc1cccc([C@@H](C)[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000175709618 365578867 /nfs/dbraw/zinc/57/88/67/365578867.db2.gz UDCTYRJJYNJPPZ-LLVKDONJSA-N 1 2 248.326 1.530 20 0 BDADLO COc1cccc([C@@H](C)[N@H+]2CCN(C)C(=O)C2)c1 ZINC000175709618 365578871 /nfs/dbraw/zinc/57/88/71/365578871.db2.gz UDCTYRJJYNJPPZ-LLVKDONJSA-N 1 2 248.326 1.530 20 0 BDADLO Cc1cc(NCC(C)(C)C[C@@H](C)O)nc[nH+]1 ZINC000301409607 178156200 /nfs/dbraw/zinc/15/62/00/178156200.db2.gz JGCLXEXWWLLDRE-SNVBAGLBSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cc(NCC2(CO)COC2)nc(C2CC2)[nH+]1 ZINC000120454933 178157113 /nfs/dbraw/zinc/15/71/13/178157113.db2.gz OAKZHEBBKHQWEA-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO Cc1cc(NCCn2cccc2)nc[nH+]1 ZINC000301606637 178163180 /nfs/dbraw/zinc/16/31/80/178163180.db2.gz YYRVYDQGYKJWGG-UHFFFAOYSA-N 1 2 202.261 1.699 20 0 BDADLO Cc1cc(NC[C@@H](C)Cn2cccn2)nc[nH+]1 ZINC000301234065 178164394 /nfs/dbraw/zinc/16/43/94/178164394.db2.gz GTFQOJDHVSTRLC-SNVBAGLBSA-N 1 2 231.303 1.730 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000075641369 398225187 /nfs/dbraw/zinc/22/51/87/398225187.db2.gz CITODNIFEKEYKP-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000075641369 398225193 /nfs/dbraw/zinc/22/51/93/398225193.db2.gz CITODNIFEKEYKP-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO C[C@H](CC(=O)Nc1ccc(=O)[nH]c1)n1cc[nH+]c1 ZINC000650042879 398226154 /nfs/dbraw/zinc/22/61/54/398226154.db2.gz HGKPFOBUGNJPEP-SECBINFHSA-N 1 2 246.270 1.574 20 0 BDADLO Cc1cc(NCc2csc(N(C)C)n2)nc[nH+]1 ZINC000301453252 178176521 /nfs/dbraw/zinc/17/65/21/178176521.db2.gz AXVOUCUFXCPWRG-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1cc(N[C@H]2CCCNC2=O)nc(C2CC2)[nH+]1 ZINC000296376125 178188823 /nfs/dbraw/zinc/18/88/23/178188823.db2.gz SZEJNUCJALWBEC-JTQLQIEISA-N 1 2 246.314 1.353 20 0 BDADLO Cc1cc(N[C@@H]2CCc3n[nH]cc3C2)nc[nH+]1 ZINC000301301214 178182618 /nfs/dbraw/zinc/18/26/18/178182618.db2.gz VDVFMONDZOVWQD-SNVBAGLBSA-N 1 2 229.287 1.478 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)nc[nH+]1 ZINC000302543230 178183936 /nfs/dbraw/zinc/18/39/36/178183936.db2.gz IDIFAOYUYZDGTP-AXFHLTTASA-N 1 2 219.288 1.764 20 0 BDADLO C[C@@H](CC(=O)NC(CF)CF)n1cc[nH+]c1 ZINC000650064177 398229550 /nfs/dbraw/zinc/22/95/50/398229550.db2.gz ODSGZMRTBIZPNB-QMMMGPOBSA-N 1 2 231.246 1.258 20 0 BDADLO C[C@H](CC(=O)NC(CF)CF)n1cc[nH+]c1 ZINC000650064176 398229737 /nfs/dbraw/zinc/22/97/37/398229737.db2.gz ODSGZMRTBIZPNB-MRVPVSSYSA-N 1 2 231.246 1.258 20 0 BDADLO CCNC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000605434151 343988261 /nfs/dbraw/zinc/98/82/61/343988261.db2.gz GNCOQQXBTKISDZ-UHFFFAOYSA-N 1 2 245.282 1.387 20 0 BDADLO CCC(CC)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276553167 538933161 /nfs/dbraw/zinc/93/31/61/538933161.db2.gz HZRSPTZRSXEVTR-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CCC(CC)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276553167 538933163 /nfs/dbraw/zinc/93/31/63/538933163.db2.gz HZRSPTZRSXEVTR-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC1(F)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000634357671 361776584 /nfs/dbraw/zinc/77/65/84/361776584.db2.gz DGJPEPLWVHEMHP-UHFFFAOYSA-N 1 2 239.294 1.624 20 0 BDADLO CCC(CC)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370427771 168357422 /nfs/dbraw/zinc/35/74/22/168357422.db2.gz IWAXTIJCHGFQRN-GFCCVEGCSA-N 1 2 249.358 1.998 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCOC2)cc[nH+]1 ZINC000179817310 259305172 /nfs/dbraw/zinc/30/51/72/259305172.db2.gz YQSOVZPURJPMNH-SNVBAGLBSA-N 1 2 221.260 1.300 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)no1 ZINC000336631898 178230277 /nfs/dbraw/zinc/23/02/77/178230277.db2.gz GGUFQVZYKYJBDJ-NXEZZACHSA-N 1 2 237.303 1.254 20 0 BDADLO C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280329308 538936998 /nfs/dbraw/zinc/93/69/98/538936998.db2.gz ZSZZYPNXEBKHGK-VIFPVBQESA-N 1 2 207.277 1.353 20 0 BDADLO C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280329308 538936999 /nfs/dbraw/zinc/93/69/99/538936999.db2.gz ZSZZYPNXEBKHGK-VIFPVBQESA-N 1 2 207.277 1.353 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)no1 ZINC000290853151 178253683 /nfs/dbraw/zinc/25/36/83/178253683.db2.gz ZRMIAPCLNAGDGU-VHSXEESVSA-N 1 2 249.314 1.397 20 0 BDADLO CC1(C)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000280505271 538937370 /nfs/dbraw/zinc/93/73/70/538937370.db2.gz LKBDFNWEHDVFOS-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CC1(C)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000280505271 538937371 /nfs/dbraw/zinc/93/73/71/538937371.db2.gz LKBDFNWEHDVFOS-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CC1(C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280680838 538937837 /nfs/dbraw/zinc/93/78/37/538937837.db2.gz UWROAXXGQZNDAY-SECBINFHSA-N 1 2 207.277 1.257 20 0 BDADLO CC1(C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280680838 538937838 /nfs/dbraw/zinc/93/78/38/538937838.db2.gz UWROAXXGQZNDAY-SECBINFHSA-N 1 2 207.277 1.257 20 0 BDADLO CC(C)(C)c1noc(CCc2c[nH]c[nH+]2)n1 ZINC000281029880 538938628 /nfs/dbraw/zinc/93/86/28/538938628.db2.gz PCNHXLUAKOUAAE-UHFFFAOYSA-N 1 2 220.276 1.875 20 0 BDADLO CC(C)(C)c1noc(CCc2c[nH+]c[nH]2)n1 ZINC000281029880 538938629 /nfs/dbraw/zinc/93/86/29/538938629.db2.gz PCNHXLUAKOUAAE-UHFFFAOYSA-N 1 2 220.276 1.875 20 0 BDADLO CCN(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000059290947 398240561 /nfs/dbraw/zinc/24/05/61/398240561.db2.gz RBXNRFHOJZSBTJ-UHFFFAOYSA-N 1 2 224.308 1.325 20 0 BDADLO Cc1cc2[nH+]cn(Cc3cnn(C)n3)c2cc1C ZINC000289443354 178305713 /nfs/dbraw/zinc/30/57/13/178305713.db2.gz ZFMAQOSXRIFDLD-UHFFFAOYSA-N 1 2 241.298 1.830 20 0 BDADLO Cc1cc2[nH+]cn(Cc3ncnn3C)c2cc1C ZINC000135588312 178305082 /nfs/dbraw/zinc/30/50/82/178305082.db2.gz BWWDUMNPNLJIAH-UHFFFAOYSA-N 1 2 241.298 1.830 20 0 BDADLO Cc1cc[nH]c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000335803055 178308257 /nfs/dbraw/zinc/30/82/57/178308257.db2.gz SKLYPCRZEQOHJO-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO Cc1cc[nH]c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000280550400 178309523 /nfs/dbraw/zinc/30/95/23/178309523.db2.gz JBOYVHBIFSFNIE-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ncc[nH]1 ZINC000286263015 538943614 /nfs/dbraw/zinc/94/36/14/538943614.db2.gz VDQCEEXSEUAJBW-VHSXEESVSA-N 1 2 235.287 1.777 20 0 BDADLO C[C@H](N[C@H](CCO)c1ccco1)c1[nH]cc[nH+]1 ZINC000286263015 538943616 /nfs/dbraw/zinc/94/36/16/538943616.db2.gz VDQCEEXSEUAJBW-VHSXEESVSA-N 1 2 235.287 1.777 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]C2COCCOC2)no1 ZINC000381307385 398251355 /nfs/dbraw/zinc/25/13/55/398251355.db2.gz KFCUVOFLCWZHOY-SECBINFHSA-N 1 2 226.276 1.049 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](F)C1 ZINC000576641713 365647347 /nfs/dbraw/zinc/64/73/47/365647347.db2.gz PVFQPJZNRIJXFP-DTWKUNHWSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](F)C1 ZINC000576641713 365647353 /nfs/dbraw/zinc/64/73/53/365647353.db2.gz PVFQPJZNRIJXFP-DTWKUNHWSA-N 1 2 225.267 1.349 20 0 BDADLO COC[C@]1(C)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000381489952 398253673 /nfs/dbraw/zinc/25/36/73/398253673.db2.gz PWPYTOLHTLAKSM-CYBMUJFWSA-N 1 2 236.315 1.437 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1cccnc1 ZINC000576646429 365648945 /nfs/dbraw/zinc/64/89/45/365648945.db2.gz AHHKFAFZAYRWAS-SNVBAGLBSA-N 1 2 244.298 1.646 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1cccnc1 ZINC000576646429 365648953 /nfs/dbraw/zinc/64/89/53/365648953.db2.gz AHHKFAFZAYRWAS-SNVBAGLBSA-N 1 2 244.298 1.646 20 0 BDADLO CCCc1nsc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664128321 488177064 /nfs/dbraw/zinc/17/70/64/488177064.db2.gz VVJLEKMHWCNFOC-UHFFFAOYSA-N 1 2 237.332 1.850 20 0 BDADLO CCCc1nsc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664128321 488177068 /nfs/dbraw/zinc/17/70/68/488177068.db2.gz VVJLEKMHWCNFOC-UHFFFAOYSA-N 1 2 237.332 1.850 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CO1 ZINC000576710832 365666725 /nfs/dbraw/zinc/66/67/25/365666725.db2.gz XVLCVUIEUKYQTP-BDAKNGLRSA-N 1 2 237.303 1.186 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccnc1 ZINC000576716277 365668336 /nfs/dbraw/zinc/66/83/36/365668336.db2.gz VQNHUOJIMGYSIM-JTQLQIEISA-N 1 2 244.298 1.300 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccnc1 ZINC000576716277 365668342 /nfs/dbraw/zinc/66/83/42/365668342.db2.gz VQNHUOJIMGYSIM-JTQLQIEISA-N 1 2 244.298 1.300 20 0 BDADLO CC1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000290316622 538947028 /nfs/dbraw/zinc/94/70/28/538947028.db2.gz YZHOOALDJNHIJL-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(CCF)CC1 ZINC000291204049 538947298 /nfs/dbraw/zinc/94/72/98/538947298.db2.gz FENUYLGCJRANBZ-UHFFFAOYSA-N 1 2 225.267 1.176 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@@H](C)O ZINC000649460319 398262011 /nfs/dbraw/zinc/26/20/11/398262011.db2.gz GSTIFMIUKLVDBR-NXEZZACHSA-N 1 2 237.347 1.767 20 0 BDADLO CCOC(=O)C[C@@H](C)Nc1nc[nH+]c2c1CCC2 ZINC000259327461 349558844 /nfs/dbraw/zinc/55/88/44/349558844.db2.gz GIHTUGJIXVTPIS-SECBINFHSA-N 1 2 249.314 1.719 20 0 BDADLO Cc1ccc(C(=O)C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000358587880 178371794 /nfs/dbraw/zinc/37/17/94/178371794.db2.gz LEAKQSYIPKTMPT-UHFFFAOYSA-N 1 2 243.266 1.217 20 0 BDADLO Cc1ccc(C(=O)C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000358587880 178371796 /nfs/dbraw/zinc/37/17/96/178371796.db2.gz LEAKQSYIPKTMPT-UHFFFAOYSA-N 1 2 243.266 1.217 20 0 BDADLO Cc1nc(C[NH2+][C@H](C(N)=O)C(C)(C)C)oc1C ZINC000081625233 398269641 /nfs/dbraw/zinc/26/96/41/398269641.db2.gz JNCAAEMKOFGJGA-SNVBAGLBSA-N 1 2 239.319 1.281 20 0 BDADLO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCC1CCCC1 ZINC000346059981 136233469 /nfs/dbraw/zinc/23/34/69/136233469.db2.gz FENOKVABJMYVRN-RYUDHWBXSA-N 1 2 242.338 1.855 20 0 BDADLO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCC1CCCC1 ZINC000346059981 136233470 /nfs/dbraw/zinc/23/34/70/136233470.db2.gz FENOKVABJMYVRN-RYUDHWBXSA-N 1 2 242.338 1.855 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+]Cc2cocn2)cc1C ZINC000602547248 349590410 /nfs/dbraw/zinc/59/04/10/349590410.db2.gz MSZORELXZFUUFG-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@](C)(O)CO ZINC000090287855 398268595 /nfs/dbraw/zinc/26/85/95/398268595.db2.gz SBJDYLZLDSFZLT-AWEZNQCLSA-N 1 2 246.310 1.698 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000649472548 398271725 /nfs/dbraw/zinc/27/17/25/398271725.db2.gz XFLFTDKLUOTXCZ-LLVKDONJSA-N 1 2 221.304 1.048 20 0 BDADLO Cc1cncc(CC[N@H+]2CCO[C@H](C)C2)n1 ZINC000649472548 398271728 /nfs/dbraw/zinc/27/17/28/398271728.db2.gz XFLFTDKLUOTXCZ-LLVKDONJSA-N 1 2 221.304 1.048 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000180076127 538957501 /nfs/dbraw/zinc/95/75/01/538957501.db2.gz BXRSGWWGTNIFOQ-GZMMTYOYSA-N 1 2 236.319 1.037 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@]1(C)CCCO1 ZINC000378864756 346848759 /nfs/dbraw/zinc/84/87/59/346848759.db2.gz YATYNLLDROVCOL-MWLCHTKSSA-N 1 2 209.293 1.457 20 0 BDADLO Cc1cc(N[C@H](C)[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493345 346851117 /nfs/dbraw/zinc/85/11/17/346851117.db2.gz MDFIWYBHNYJZJT-HTRCEHHLSA-N 1 2 235.209 1.509 20 0 BDADLO CCC(CC)NC(=O)NCc1[nH+]ccn1C ZINC000264058856 168380269 /nfs/dbraw/zinc/38/02/69/168380269.db2.gz NSRJOCCGHYCPNW-UHFFFAOYSA-N 1 2 224.308 1.408 20 0 BDADLO Cc1nsc(NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000624536648 344001017 /nfs/dbraw/zinc/00/10/17/344001017.db2.gz XZFSFGASRJMDOD-SNVBAGLBSA-N 1 2 240.376 1.412 20 0 BDADLO Cc1nsc(NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000624536648 344001020 /nfs/dbraw/zinc/00/10/20/344001020.db2.gz XZFSFGASRJMDOD-SNVBAGLBSA-N 1 2 240.376 1.412 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)S(=O)[C@H](C)C2)[nH+]1 ZINC000600150734 342691327 /nfs/dbraw/zinc/69/13/27/342691327.db2.gz JSNFQYFPUVKPLY-NXEZZACHSA-N 1 2 241.360 1.059 20 0 BDADLO CC[N@H+](Cc1noc(COC)n1)C1CCCC1 ZINC000182404454 538963388 /nfs/dbraw/zinc/96/33/88/538963388.db2.gz JAZBYHNHIWLBFQ-UHFFFAOYSA-N 1 2 239.319 1.981 20 0 BDADLO CC[N@@H+](Cc1noc(COC)n1)C1CCCC1 ZINC000182404454 538963389 /nfs/dbraw/zinc/96/33/89/538963389.db2.gz JAZBYHNHIWLBFQ-UHFFFAOYSA-N 1 2 239.319 1.981 20 0 BDADLO COc1ccc([C@@H](CCO)[NH2+]CC(F)F)cc1 ZINC000182403300 538963531 /nfs/dbraw/zinc/96/35/31/538963531.db2.gz DUHSUBIFTPFCOP-LLVKDONJSA-N 1 2 245.269 1.973 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1(C2CC2)CC1 ZINC000580291546 346859470 /nfs/dbraw/zinc/85/94/70/346859470.db2.gz AVSYRNQTELMOQW-UHFFFAOYSA-N 1 2 248.330 1.645 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3c2OCCO3)on1 ZINC000231882651 342742722 /nfs/dbraw/zinc/74/27/22/342742722.db2.gz VFWNXLRCRLLMGR-UHFFFAOYSA-N 1 2 246.266 1.736 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)ccn1 ZINC000583940074 342728867 /nfs/dbraw/zinc/72/88/67/342728867.db2.gz PEJIUNQQOYMNQQ-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000583332831 342735896 /nfs/dbraw/zinc/73/58/96/342735896.db2.gz VLIMVOPGHXUIJI-VIFPVBQESA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621315384 342778287 /nfs/dbraw/zinc/77/82/87/342778287.db2.gz DFKOJPDDFBLQJA-HTRCEHHLSA-N 1 2 245.286 1.267 20 0 BDADLO Cc1cc(C)nc(NCCc2cn(C)c[nH+]2)n1 ZINC000313438920 398286868 /nfs/dbraw/zinc/28/68/68/398286868.db2.gz BFEDMXPDDGLFOP-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO CCCc1nc(C[N@H+](C)CCCOC)no1 ZINC000066378291 342788828 /nfs/dbraw/zinc/78/88/28/342788828.db2.gz RMLCPZUBFMJBOX-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCCc1nc(C[N@@H+](C)CCCOC)no1 ZINC000066378291 342788829 /nfs/dbraw/zinc/78/88/29/342788829.db2.gz RMLCPZUBFMJBOX-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649487923 398285779 /nfs/dbraw/zinc/28/57/79/398285779.db2.gz VEXBGKZROACMRY-DGCLKSJQSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649487923 398285784 /nfs/dbraw/zinc/28/57/84/398285784.db2.gz VEXBGKZROACMRY-DGCLKSJQSA-N 1 2 249.358 1.829 20 0 BDADLO O=C1NCC[C@@H]1[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000634581058 342796642 /nfs/dbraw/zinc/79/66/42/342796642.db2.gz PFSDJFOWRWRHDW-WDEREUQCSA-N 1 2 240.253 1.314 20 0 BDADLO CC(C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000022698933 342799490 /nfs/dbraw/zinc/79/94/90/342799490.db2.gz NMILBVWDVPDLGA-UHFFFAOYSA-N 1 2 239.344 1.726 20 0 BDADLO CC(C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000022698933 342799491 /nfs/dbraw/zinc/79/94/91/342799491.db2.gz NMILBVWDVPDLGA-UHFFFAOYSA-N 1 2 239.344 1.726 20 0 BDADLO C[C@H]1CC[C@@](CO)([N@H+](C)CC(F)F)C1 ZINC000187965727 538977267 /nfs/dbraw/zinc/97/72/67/538977267.db2.gz IMKGWVAZFPHDPJ-WCBMZHEXSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[C@@](CO)([N@@H+](C)CC(F)F)C1 ZINC000187965727 538977268 /nfs/dbraw/zinc/97/72/68/538977268.db2.gz IMKGWVAZFPHDPJ-WCBMZHEXSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)c1[nH+]cc(-c2cnn(C)c2)n1C ZINC000630051033 361914720 /nfs/dbraw/zinc/91/47/20/361914720.db2.gz YUHLCRGYXPUYPH-UHFFFAOYSA-N 1 2 204.277 1.944 20 0 BDADLO OC[C@]12CCC[C@H]1CN(c1cccc[nH+]1)C2 ZINC000624668524 342815420 /nfs/dbraw/zinc/81/54/20/342815420.db2.gz DEMYTELUJQXQRS-WCQYABFASA-N 1 2 218.300 1.680 20 0 BDADLO Cc1nc(N[C@@H]2CO[C@@H](C3CC3)C2)cc[nH+]1 ZINC000624674128 342817244 /nfs/dbraw/zinc/81/72/44/342817244.db2.gz VBLWCSOVDCVQRI-WDEREUQCSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(N[C@H]2CO[C@H](C3CC3)C2)cc[nH+]1 ZINC000624674126 342817263 /nfs/dbraw/zinc/81/72/63/342817263.db2.gz VBLWCSOVDCVQRI-MNOVXSKESA-N 1 2 219.288 1.764 20 0 BDADLO COC1(C)C[NH+](Cc2cccc(O)c2)C1 ZINC000336084528 536589401 /nfs/dbraw/zinc/58/94/01/536589401.db2.gz LHSFSGUUSNGTLR-UHFFFAOYSA-N 1 2 207.273 1.613 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000187049598 538975393 /nfs/dbraw/zinc/97/53/93/538975393.db2.gz SOPNYXHVKYUWTB-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO CCc1cc(NCCN(C)CC(F)F)nc[nH+]1 ZINC000624761743 342826563 /nfs/dbraw/zinc/82/65/63/342826563.db2.gz PSFWCUIXJCRCHS-UHFFFAOYSA-N 1 2 244.289 1.070 20 0 BDADLO CCn1nc(C)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000380195445 538986973 /nfs/dbraw/zinc/98/69/73/538986973.db2.gz ZBGSBDYNCQIGOX-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO CC(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000624766445 342828029 /nfs/dbraw/zinc/82/80/29/342828029.db2.gz XDLUZCDLUCWEDX-LBPRGKRZSA-N 1 2 248.330 1.280 20 0 BDADLO C/C=C/CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000624823428 342832469 /nfs/dbraw/zinc/83/24/69/342832469.db2.gz IYRUFFUDLUDOCG-ONEGZZNKSA-N 1 2 236.319 1.491 20 0 BDADLO CC[C@@]1(O)CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000381540829 539003168 /nfs/dbraw/zinc/00/31/68/539003168.db2.gz INBAPIMXYWKNHS-SNVBAGLBSA-N 1 2 242.710 1.063 20 0 BDADLO CC[C@@]1(O)CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000381540829 539003169 /nfs/dbraw/zinc/00/31/69/539003169.db2.gz INBAPIMXYWKNHS-SNVBAGLBSA-N 1 2 242.710 1.063 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](CO)CC(F)F ZINC000381732438 539006324 /nfs/dbraw/zinc/00/63/24/539006324.db2.gz NRFKMDYQLFCYGM-HTRCEHHLSA-N 1 2 233.262 1.385 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000193724801 539007460 /nfs/dbraw/zinc/00/74/60/539007460.db2.gz ITBFWUJJKMGVBM-WDEREUQCSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000193724801 539007461 /nfs/dbraw/zinc/00/74/61/539007461.db2.gz ITBFWUJJKMGVBM-WDEREUQCSA-N 1 2 235.331 1.847 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1CC(OC)C1 ZINC000624952373 342839299 /nfs/dbraw/zinc/83/92/99/342839299.db2.gz RXYZGLFKDXUFQS-UHFFFAOYSA-N 1 2 236.271 1.454 20 0 BDADLO Cc1cnc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)s1 ZINC000381259151 538997086 /nfs/dbraw/zinc/99/70/86/538997086.db2.gz RMUGWMJJKCQALK-NXEZZACHSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1cnc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000381259151 538997087 /nfs/dbraw/zinc/99/70/87/538997087.db2.gz RMUGWMJJKCQALK-NXEZZACHSA-N 1 2 241.360 1.583 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCC1CC1 ZINC000381293823 538997777 /nfs/dbraw/zinc/99/77/77/538997777.db2.gz FMCJTBBCFKXVEV-UHFFFAOYSA-N 1 2 217.276 1.668 20 0 BDADLO CC[C@@H](Nc1nc(C)[nH+]c(N)n1)C1CCCC1 ZINC000382865262 361983667 /nfs/dbraw/zinc/98/36/67/361983667.db2.gz LPOYDDKVQOWRMX-SNVBAGLBSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@@H](Nc1nc(N)nc(C)[nH+]1)C1CCCC1 ZINC000382865262 361983674 /nfs/dbraw/zinc/98/36/74/361983674.db2.gz LPOYDDKVQOWRMX-SNVBAGLBSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc(N2CC[C@@H](O)[C@H]2C)c2c([nH+]1)CCCC2 ZINC000649502287 398297490 /nfs/dbraw/zinc/29/74/90/398297490.db2.gz YTZCLYRUCLUZSF-NOZJJQNGSA-N 1 2 247.342 1.623 20 0 BDADLO COC[C@@H]([NH2+]CC(F)F)[C@H]1CCCO1 ZINC000389369381 539016143 /nfs/dbraw/zinc/01/61/43/539016143.db2.gz WTZYXFYBCJYTGH-HTQZYQBOSA-N 1 2 209.236 1.035 20 0 BDADLO Cc1nc(N[C@H](C)c2ccon2)cc[nH+]1 ZINC000389645269 539016759 /nfs/dbraw/zinc/01/67/59/539016759.db2.gz SKOGYJAAXVVXAM-SSDOTTSWSA-N 1 2 204.233 1.368 20 0 BDADLO CC(=O)c1ccc(C(=O)Nc2cc[nH+]c(C)c2)[nH]1 ZINC000335644773 136243403 /nfs/dbraw/zinc/24/34/03/136243403.db2.gz FWPBXRSMTFRNPI-UHFFFAOYSA-N 1 2 243.266 1.595 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC[C@@H]1C1CCC1 ZINC000583992675 342852139 /nfs/dbraw/zinc/85/21/39/342852139.db2.gz YEYSBZUORZLOET-CYBMUJFWSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000583992675 342852140 /nfs/dbraw/zinc/85/21/40/342852140.db2.gz YEYSBZUORZLOET-CYBMUJFWSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000583992675 342852141 /nfs/dbraw/zinc/85/21/41/342852141.db2.gz YEYSBZUORZLOET-CYBMUJFWSA-N 1 2 249.358 1.904 20 0 BDADLO CCC[NH+](CCC)Cc1noc(CCOC)n1 ZINC000351333341 136244466 /nfs/dbraw/zinc/24/44/66/136244466.db2.gz CAMYBTAODYGWKB-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO Cc1cccn2cc(CNc3ccn(C)n3)[nH+]c12 ZINC000179897327 342878889 /nfs/dbraw/zinc/87/88/89/342878889.db2.gz UWPGMBCXWGJNGD-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000402685168 342877254 /nfs/dbraw/zinc/87/72/54/342877254.db2.gz YXUIJRGRLVYZGA-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000402685168 342877256 /nfs/dbraw/zinc/87/72/56/342877256.db2.gz YXUIJRGRLVYZGA-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@@H]1COCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493364272 529409576 /nfs/dbraw/zinc/40/95/76/529409576.db2.gz ZZQUXZJWQJGULJ-UMBAGQNISA-N 1 2 235.287 1.060 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@]1(O)CCC[C@@H]1C ZINC000584301746 398320975 /nfs/dbraw/zinc/32/09/75/398320975.db2.gz COWLHPOZVZVTMQ-GWCFXTLKSA-N 1 2 235.331 1.478 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc[nH]c1=O ZINC000625200152 342908507 /nfs/dbraw/zinc/90/85/07/342908507.db2.gz HITYYONPQWZAFC-UHFFFAOYSA-N 1 2 232.243 1.013 20 0 BDADLO CC[C@H]1CC[N@H+](Cc2noc(CCOC)n2)C1 ZINC000351519708 136246417 /nfs/dbraw/zinc/24/64/17/136246417.db2.gz FYXNRUBHXXLPNJ-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CC[C@H]1CC[N@@H+](Cc2noc(CCOC)n2)C1 ZINC000351519708 136246418 /nfs/dbraw/zinc/24/64/18/136246418.db2.gz FYXNRUBHXXLPNJ-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CC(C)=CCC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631291796 342901669 /nfs/dbraw/zinc/90/16/69/342901669.db2.gz YRNQOWCCWZEAMI-SECBINFHSA-N 1 2 235.335 1.561 20 0 BDADLO CC(C)=CCC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631291796 342901670 /nfs/dbraw/zinc/90/16/70/342901670.db2.gz YRNQOWCCWZEAMI-SECBINFHSA-N 1 2 235.335 1.561 20 0 BDADLO CC[C@H]([NH2+]CCCOC1CCCC1)C(=O)OC ZINC000192842212 398323981 /nfs/dbraw/zinc/32/39/81/398323981.db2.gz XDIOZGKRSDYIEZ-LBPRGKRZSA-N 1 2 243.347 1.877 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625185776 342903559 /nfs/dbraw/zinc/90/35/59/342903559.db2.gz RSSLWDDFZJHVGB-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625185776 342903560 /nfs/dbraw/zinc/90/35/60/342903560.db2.gz RSSLWDDFZJHVGB-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NCC(C)(C)C)[C@H]1C ZINC000625222692 342919873 /nfs/dbraw/zinc/91/98/73/342919873.db2.gz GNBWVFWLUWINMT-WDEREUQCSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NCC(C)(C)C)[C@H]1C ZINC000625222692 342919875 /nfs/dbraw/zinc/91/98/75/342919875.db2.gz GNBWVFWLUWINMT-WDEREUQCSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ncn1 ZINC000602601009 349647457 /nfs/dbraw/zinc/64/74/57/349647457.db2.gz JROLUHDTXLUQCU-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1noc(C[N@H+](C)CC[C@H]2CCCO2)n1 ZINC000351626524 136248466 /nfs/dbraw/zinc/24/84/66/136248466.db2.gz DALKMTDKYCQHGM-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1noc(C[N@@H+](C)CC[C@H]2CCCO2)n1 ZINC000351626524 136248467 /nfs/dbraw/zinc/24/84/67/136248467.db2.gz DALKMTDKYCQHGM-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCc1cnc(C[NH2+]Cc2cncn2C)s1 ZINC000174626931 346884924 /nfs/dbraw/zinc/88/49/24/346884924.db2.gz QBQDTNUCXZODOG-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO Cc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000351652083 136249219 /nfs/dbraw/zinc/24/92/19/136249219.db2.gz ZFZPJAQLWCGPMD-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000351652083 136249220 /nfs/dbraw/zinc/24/92/20/136249220.db2.gz ZFZPJAQLWCGPMD-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000336308206 398329531 /nfs/dbraw/zinc/32/95/31/398329531.db2.gz NBRPQZXCQKJNHT-JTQLQIEISA-N 1 2 242.388 1.435 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336308206 398329532 /nfs/dbraw/zinc/32/95/32/398329532.db2.gz NBRPQZXCQKJNHT-JTQLQIEISA-N 1 2 242.388 1.435 20 0 BDADLO O=c1c2c([nH]n1Cc1cccc(F)c1)CC[NH2+]C2 ZINC000634589763 342937078 /nfs/dbraw/zinc/93/70/78/342937078.db2.gz HZTURXVVWKXLQK-NSHDSACASA-N 1 2 247.273 1.133 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000602645274 349656796 /nfs/dbraw/zinc/65/67/96/349656796.db2.gz QYVKLBKFWMEQSU-RRKCRQDMSA-N 1 2 207.220 1.181 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)[C@H](C)[C@H](C)O1 ZINC000351652120 136249005 /nfs/dbraw/zinc/24/90/05/136249005.db2.gz RQNYSMUXGCVEHA-BBBLOLIVSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)[C@H](C)[C@H](C)O1 ZINC000351652120 136249006 /nfs/dbraw/zinc/24/90/06/136249006.db2.gz RQNYSMUXGCVEHA-BBBLOLIVSA-N 1 2 210.277 1.672 20 0 BDADLO CCc1cc(NC[C@@]2(O)CCC[C@@H]2C)nc[nH+]1 ZINC000392925159 398336293 /nfs/dbraw/zinc/33/62/93/398336293.db2.gz HJNDZRJHFFIUAY-GWCFXTLKSA-N 1 2 235.331 1.424 20 0 BDADLO CC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000037693529 342940982 /nfs/dbraw/zinc/94/09/82/342940982.db2.gz MBHMXRQHNFIWIW-OAHLLOKOSA-N 1 2 248.370 1.575 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000351730919 136250417 /nfs/dbraw/zinc/25/04/17/136250417.db2.gz OIQDGPHXNOFOJN-NSHDSACASA-N 1 2 223.320 1.682 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)C(=O)OC(C)C)CC(C)C ZINC000602679769 349672786 /nfs/dbraw/zinc/67/27/86/349672786.db2.gz JCVLWDNVOPDJDI-RYUDHWBXSA-N 1 2 245.363 1.977 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)C(=O)OC(C)C)C1CC1 ZINC000602680765 349673592 /nfs/dbraw/zinc/67/35/92/349673592.db2.gz KHBSRSAVYRFKCN-ONGXEEELSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000351801415 136253195 /nfs/dbraw/zinc/25/31/95/136253195.db2.gz CLCHXNNYJFZTFN-WDEREUQCSA-N 1 2 221.304 1.436 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC[C@H]1CCO1 ZINC000602718210 349686895 /nfs/dbraw/zinc/68/68/95/349686895.db2.gz QWPOOOYHRVCFSP-CMPLNLGQSA-N 1 2 247.310 1.436 20 0 BDADLO CCc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000634593949 342953190 /nfs/dbraw/zinc/95/31/90/342953190.db2.gz FUZDDXSBXJJQLZ-LBPRGKRZSA-N 1 2 243.310 1.561 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2snnc2C)C[C@@H](C)O1 ZINC000580316134 346900989 /nfs/dbraw/zinc/90/09/89/346900989.db2.gz WHCPEOCZFVOUCI-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2snnc2C)C[C@@H](C)O1 ZINC000580316134 346900991 /nfs/dbraw/zinc/90/09/91/346900991.db2.gz WHCPEOCZFVOUCI-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C12CC(C1)C2 ZINC000626183006 346907984 /nfs/dbraw/zinc/90/79/84/346907984.db2.gz JYKWAUNWMRJQFA-UHFFFAOYSA-N 1 2 233.315 1.532 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC1(C2CC2)CC1 ZINC000492493359 529552286 /nfs/dbraw/zinc/55/22/86/529552286.db2.gz OASLSFIUJSMJOK-AATRIKPKSA-N 1 2 245.326 1.975 20 0 BDADLO CC[C@@]1(CO)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493250106 529555607 /nfs/dbraw/zinc/55/56/07/529555607.db2.gz HRRSMVXOGVNYHB-IHVVCDCBSA-N 1 2 249.314 1.186 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)C(C)C ZINC000492487339 529556215 /nfs/dbraw/zinc/55/62/15/529556215.db2.gz CQEIDVUHWLIVGQ-SREVYHEPSA-N 1 2 221.304 1.783 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@]1(C)CCOC1 ZINC000493569971 529560408 /nfs/dbraw/zinc/56/04/08/529560408.db2.gz WSCFRTPNQXRVEN-ZFDPJTLLSA-N 1 2 249.314 1.211 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000602768142 349723779 /nfs/dbraw/zinc/72/37/79/349723779.db2.gz WJOHLLUEVYUSSH-MRVPVSSYSA-N 1 2 223.263 1.773 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000602768142 349723784 /nfs/dbraw/zinc/72/37/84/349723784.db2.gz WJOHLLUEVYUSSH-MRVPVSSYSA-N 1 2 223.263 1.773 20 0 BDADLO COC(=O)c1cc(C[NH2+]C2(C)COC2)c(C)o1 ZINC000602740937 349709875 /nfs/dbraw/zinc/70/98/75/349709875.db2.gz RRRJGKLYWXSZIO-UHFFFAOYSA-N 1 2 239.271 1.253 20 0 BDADLO CCOC(=O)[C@]1(C)C[N@H+](CC2(F)CC2)CCO1 ZINC000602747027 349710961 /nfs/dbraw/zinc/71/09/61/349710961.db2.gz OJCVNGPGJWWTGS-NSHDSACASA-N 1 2 245.294 1.143 20 0 BDADLO CCOC(=O)[C@]1(C)C[N@@H+](CC2(F)CC2)CCO1 ZINC000602747027 349710963 /nfs/dbraw/zinc/71/09/63/349710963.db2.gz OJCVNGPGJWWTGS-NSHDSACASA-N 1 2 245.294 1.143 20 0 BDADLO C[C@@H]1CCC[C@@H](n2[nH]c3c(c2=O)C[NH2+]CC3)C1 ZINC000634599547 342988750 /nfs/dbraw/zinc/98/87/50/342988750.db2.gz KYTOGGRZBIZPSM-MXWKQRLJSA-N 1 2 235.331 1.373 20 0 BDADLO CC[C@](C)([NH2+]Cc1cc[nH]c(=O)c1)C(=O)OC ZINC000602800059 349740440 /nfs/dbraw/zinc/74/04/40/349740440.db2.gz PMUWKYIFVAKWCD-LBPRGKRZSA-N 1 2 238.287 1.219 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccc(OC)nc1 ZINC000602800425 349741258 /nfs/dbraw/zinc/74/12/58/349741258.db2.gz MQSORMBFNSIMQP-UHFFFAOYSA-N 1 2 248.330 1.325 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccc(OC)nc1 ZINC000602800425 349741260 /nfs/dbraw/zinc/74/12/60/349741260.db2.gz MQSORMBFNSIMQP-UHFFFAOYSA-N 1 2 248.330 1.325 20 0 BDADLO C[C@](O)(C[N@@H+]1CCC=C(F)C1)C(F)(F)F ZINC000335908923 136261430 /nfs/dbraw/zinc/26/14/30/136261430.db2.gz LPDUJPFKHFLAGQ-QMMMGPOBSA-N 1 2 227.201 1.859 20 0 BDADLO C[C@](O)(C[N@H+]1CCC=C(F)C1)C(F)(F)F ZINC000335908923 136261431 /nfs/dbraw/zinc/26/14/31/136261431.db2.gz LPDUJPFKHFLAGQ-QMMMGPOBSA-N 1 2 227.201 1.859 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000602787010 349750701 /nfs/dbraw/zinc/75/07/01/349750701.db2.gz NRRCJKSGIHYACB-JTQLQIEISA-N 1 2 235.274 1.917 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000602787010 349750702 /nfs/dbraw/zinc/75/07/02/349750702.db2.gz NRRCJKSGIHYACB-JTQLQIEISA-N 1 2 235.274 1.917 20 0 BDADLO Cc1cc(N[C@@H](C)C(=O)NC(C)C)nc[nH+]1 ZINC000162570426 349752752 /nfs/dbraw/zinc/75/27/52/349752752.db2.gz KYFYOCJMOQATSL-VIFPVBQESA-N 1 2 222.292 1.110 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccccn1 ZINC000169798420 343044286 /nfs/dbraw/zinc/04/42/86/343044286.db2.gz JVODBXLMMREOKN-SNVBAGLBSA-N 1 2 242.282 1.023 20 0 BDADLO C[C@H](CC(=O)N(C)CC(F)(F)F)n1cc[nH+]c1 ZINC000576826393 365695933 /nfs/dbraw/zinc/69/59/33/365695933.db2.gz JYHLKCPGVXEDNL-MRVPVSSYSA-N 1 2 249.236 1.855 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)c2nccs2)CC[N@H+]1C ZINC000683565664 488197127 /nfs/dbraw/zinc/19/71/27/488197127.db2.gz GYQMFFMHINXKIA-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)c2nccs2)CC[N@@H+]1C ZINC000683565664 488197130 /nfs/dbraw/zinc/19/71/30/488197130.db2.gz GYQMFFMHINXKIA-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@](O)(C[NH+]1CC2(C1)CCCO2)C(F)(F)F ZINC000634650589 343061113 /nfs/dbraw/zinc/06/11/13/343061113.db2.gz PTZGDDDBXKQGCY-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1CC1CCCC1 ZINC000135539251 343063827 /nfs/dbraw/zinc/06/38/27/343063827.db2.gz SDMPTMVFMWOAEL-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1CC1CCCC1 ZINC000135539251 343063830 /nfs/dbraw/zinc/06/38/30/343063830.db2.gz SDMPTMVFMWOAEL-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000634505832 362015128 /nfs/dbraw/zinc/01/51/28/362015128.db2.gz VBOABJRJDRWLEJ-HTQZYQBOSA-N 1 2 247.220 1.409 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000634505832 362015131 /nfs/dbraw/zinc/01/51/31/362015131.db2.gz VBOABJRJDRWLEJ-HTQZYQBOSA-N 1 2 247.220 1.409 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000140905913 343087466 /nfs/dbraw/zinc/08/74/66/343087466.db2.gz LFBQTKDIOJICPR-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000140905913 343087468 /nfs/dbraw/zinc/08/74/68/343087468.db2.gz LFBQTKDIOJICPR-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CCCCOCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000049262054 343099371 /nfs/dbraw/zinc/09/93/71/343099371.db2.gz PUZXFOISULCWRE-NSHDSACASA-N 1 2 231.336 1.590 20 0 BDADLO CCCCOCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640944173 362089835 /nfs/dbraw/zinc/08/98/35/362089835.db2.gz ZLNUBGXMKQZWRT-UHFFFAOYSA-N 1 2 249.318 1.340 20 0 BDADLO CO[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000170540858 136270248 /nfs/dbraw/zinc/27/02/48/136270248.db2.gz AJWKTUZBJIZKDK-VIFPVBQESA-N 1 2 217.272 1.788 20 0 BDADLO C[N@H+](CC(=O)NCC(C)(C)C)Cc1cccnc1 ZINC000625265116 343147010 /nfs/dbraw/zinc/14/70/10/343147010.db2.gz CUXDTRPZZPYLIZ-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1cccnc1 ZINC000625265116 343147013 /nfs/dbraw/zinc/14/70/13/343147013.db2.gz CUXDTRPZZPYLIZ-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO COCC1([N@H+](C)Cc2ncc(C)cn2)CC1 ZINC000677728321 488203744 /nfs/dbraw/zinc/20/37/44/488203744.db2.gz UIYGBVQXNAAJSA-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO COCC1([N@@H+](C)Cc2ncc(C)cn2)CC1 ZINC000677728321 488203749 /nfs/dbraw/zinc/20/37/49/488203749.db2.gz UIYGBVQXNAAJSA-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO C[C@@H]1C[C@H](O)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000334716724 343130497 /nfs/dbraw/zinc/13/04/97/343130497.db2.gz VZNVNBNYCKZDSI-ZJUUUORDSA-N 1 2 231.299 1.770 20 0 BDADLO CC[C@@H](Nc1cccnn1)c1[nH]cc[nH+]1 ZINC000125227125 343165791 /nfs/dbraw/zinc/16/57/91/343165791.db2.gz UILPNHMQNPVDLV-MRVPVSSYSA-N 1 2 203.249 1.763 20 0 BDADLO COc1ccnc(NCCCCn2cc[nH+]c2)n1 ZINC000124396982 343167290 /nfs/dbraw/zinc/16/72/90/343167290.db2.gz LLESMZNPWPMMMT-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO COC[C@@H]([NH2+][C@H](CC(C)C)C(=O)OC)C(C)C ZINC000126168996 343169098 /nfs/dbraw/zinc/16/90/98/343169098.db2.gz BFSWFBWYEOBVKQ-VXGBXAGGSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN1Cc2cccnc2C1 ZINC000580546130 365740005 /nfs/dbraw/zinc/74/00/05/365740005.db2.gz YFRQRAOXQXVIGI-GFCCVEGCSA-N 1 2 247.342 1.118 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN1Cc2cccnc2C1 ZINC000580546130 365740010 /nfs/dbraw/zinc/74/00/10/365740010.db2.gz YFRQRAOXQXVIGI-GFCCVEGCSA-N 1 2 247.342 1.118 20 0 BDADLO C[C@@H](NC(=O)c1ccccc1)c1[nH]cc[nH+]1 ZINC000125348155 343172801 /nfs/dbraw/zinc/17/28/01/343172801.db2.gz ODRMGRQNFAYAFE-SECBINFHSA-N 1 2 215.256 1.901 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)no1 ZINC000125373768 343173099 /nfs/dbraw/zinc/17/30/99/343173099.db2.gz PKAOOAZNFBFMKH-SSDOTTSWSA-N 1 2 220.232 1.197 20 0 BDADLO Cc1ccoc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125385618 343173114 /nfs/dbraw/zinc/17/31/14/343173114.db2.gz NULQGCYASTZCNL-MRVPVSSYSA-N 1 2 219.244 1.802 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000625274268 343213500 /nfs/dbraw/zinc/21/35/00/343213500.db2.gz LZMCKZBNAUXQNI-ZCFIWIBFSA-N 1 2 219.260 1.625 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000625274268 343213501 /nfs/dbraw/zinc/21/35/01/343213501.db2.gz LZMCKZBNAUXQNI-ZCFIWIBFSA-N 1 2 219.260 1.625 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC1(C)C ZINC000134869898 343191781 /nfs/dbraw/zinc/19/17/81/343191781.db2.gz KDLZUVAXWONFSL-LURJTMIESA-N 1 2 208.265 1.278 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC1(C)C ZINC000134869898 343191783 /nfs/dbraw/zinc/19/17/83/343191783.db2.gz KDLZUVAXWONFSL-LURJTMIESA-N 1 2 208.265 1.278 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCCCC1 ZINC000134808382 343195260 /nfs/dbraw/zinc/19/52/60/343195260.db2.gz VAMXOANYPMPFHX-UHFFFAOYSA-N 1 2 222.292 1.448 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCCCC1 ZINC000134808382 343195262 /nfs/dbraw/zinc/19/52/62/343195262.db2.gz VAMXOANYPMPFHX-UHFFFAOYSA-N 1 2 222.292 1.448 20 0 BDADLO CCCCCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625300028 343226515 /nfs/dbraw/zinc/22/65/15/343226515.db2.gz LGANINGFEOBATF-UHFFFAOYSA-N 1 2 231.321 1.019 20 0 BDADLO CCCCCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625300028 343226516 /nfs/dbraw/zinc/22/65/16/343226516.db2.gz LGANINGFEOBATF-UHFFFAOYSA-N 1 2 231.321 1.019 20 0 BDADLO O=C1CC[NH+](CCOc2ccccc2)CC1 ZINC000032013405 343228318 /nfs/dbraw/zinc/22/83/18/343228318.db2.gz SRCZVHKTSLILCC-UHFFFAOYSA-N 1 2 219.284 1.730 20 0 BDADLO COC[C@H]([NH2+]Cc1cnns1)c1ccco1 ZINC000625318288 343233854 /nfs/dbraw/zinc/23/38/54/343233854.db2.gz NENBHERNOMIPIL-VIFPVBQESA-N 1 2 239.300 1.608 20 0 BDADLO CCO[C@H](C[NH2+][C@@H](C)c1ncn(C)n1)C1CC1 ZINC000625359000 343248764 /nfs/dbraw/zinc/24/87/64/343248764.db2.gz XVKSWGYFZCYKBQ-GXSJLCMTSA-N 1 2 238.335 1.281 20 0 BDADLO CC(C)(C)C(=O)Nc1nc2[nH]ccc2c[nH+]1 ZINC000033359330 343252293 /nfs/dbraw/zinc/25/22/93/343252293.db2.gz NQYXXRBYAYHYSC-UHFFFAOYSA-N 1 2 218.260 1.943 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000051736778 343259649 /nfs/dbraw/zinc/25/96/49/343259649.db2.gz YWUSSKHGOGIIET-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000051736778 343259651 /nfs/dbraw/zinc/25/96/51/343259651.db2.gz YWUSSKHGOGIIET-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000121464267 343266871 /nfs/dbraw/zinc/26/68/71/343266871.db2.gz ZHFKDOHSGNCNLJ-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(N)=O ZINC000035793637 343304413 /nfs/dbraw/zinc/30/44/13/343304413.db2.gz VCQKBAZSEDUCEJ-RNFRBKRXSA-N 1 2 228.242 1.489 20 0 BDADLO C/C=C/c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054126 362164481 /nfs/dbraw/zinc/16/44/81/362164481.db2.gz RJPXXBAYNQKXMN-ONEGZZNKSA-N 1 2 203.249 1.093 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2CO)cc1F ZINC000625373071 343359462 /nfs/dbraw/zinc/35/94/62/343359462.db2.gz AIGJUDWQLSSASG-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2CO)cc1F ZINC000625373071 343359464 /nfs/dbraw/zinc/35/94/64/343359464.db2.gz AIGJUDWQLSSASG-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO CCn1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)n1 ZINC000625371373 343359475 /nfs/dbraw/zinc/35/94/75/343359475.db2.gz MTRLRBDRFBFODS-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CC[C@@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000156803136 133473737 /nfs/dbraw/zinc/47/37/37/133473737.db2.gz CVRCZMNSDFUEIS-JTQLQIEISA-N 1 2 221.304 1.927 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCS1 ZINC000070819014 343340784 /nfs/dbraw/zinc/34/07/84/343340784.db2.gz VRPUVDCSZHNLQS-QMMMGPOBSA-N 1 2 225.317 1.264 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1CC1=CCCC1 ZINC000641067518 362178687 /nfs/dbraw/zinc/17/86/87/362178687.db2.gz PMLJEWHFSDVCSJ-GFCCVEGCSA-N 1 2 234.303 1.049 20 0 BDADLO Cc1cc(NC(=O)N[C@@]2(C)CCO[C@@H]2C)cc[nH+]1 ZINC000335672782 136316843 /nfs/dbraw/zinc/31/68/43/136316843.db2.gz RMKZOMFTKMJJFC-MFKMUULPSA-N 1 2 249.314 1.501 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cncs1 ZINC000335680115 136322153 /nfs/dbraw/zinc/32/21/53/136322153.db2.gz KAHIMINBSNQLAJ-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cncs1 ZINC000335680115 136322154 /nfs/dbraw/zinc/32/21/54/136322154.db2.gz KAHIMINBSNQLAJ-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO CC1(C)CC[C@H](CO)[N@H+](CC(F)F)C1 ZINC000621379231 343392040 /nfs/dbraw/zinc/39/20/40/343392040.db2.gz PFFROKIRKFWUJN-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CC1(C)CC[C@H](CO)[N@@H+](CC(F)F)C1 ZINC000621379231 343392043 /nfs/dbraw/zinc/39/20/43/343392043.db2.gz PFFROKIRKFWUJN-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CCN1CC[N@H+](Cc2cccnc2)[C@H](C)C1=O ZINC000335696575 136327002 /nfs/dbraw/zinc/32/70/02/136327002.db2.gz OIRQVOASKHXMGE-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[N@@H+](Cc2cccnc2)[C@H](C)C1=O ZINC000335696575 136327003 /nfs/dbraw/zinc/32/70/03/136327003.db2.gz OIRQVOASKHXMGE-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO Cc1cn2cc(NC(=O)[C@H]3CCCO3)ccc2[nH+]1 ZINC000041305026 343418915 /nfs/dbraw/zinc/41/89/15/343418915.db2.gz MHGFMQSNFDOONZ-LLVKDONJSA-N 1 2 245.282 1.760 20 0 BDADLO CCOCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421560116 192361692 /nfs/dbraw/zinc/36/16/92/192361692.db2.gz QDFWEJLUZSXVOE-UHFFFAOYSA-N 1 2 222.288 1.351 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042532678 343441500 /nfs/dbraw/zinc/44/15/00/343441500.db2.gz FIPVZEJIZQNMHN-XXZAKMSKSA-N 1 2 219.288 1.520 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000349448193 136352010 /nfs/dbraw/zinc/35/20/10/136352010.db2.gz OUBWZMYYSHZBGZ-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000349448193 136352011 /nfs/dbraw/zinc/35/20/11/136352011.db2.gz OUBWZMYYSHZBGZ-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO CC1(C)C[C@H](n2cc(Cn3cc[nH+]c3)nn2)CO1 ZINC000641088645 362211710 /nfs/dbraw/zinc/21/17/10/362211710.db2.gz JVQZDMHFPLONBF-NSHDSACASA-N 1 2 247.302 1.263 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccccc1C ZINC000042211488 343431243 /nfs/dbraw/zinc/43/12/43/343431243.db2.gz YEOIIYMOHMBGBK-UHFFFAOYSA-N 1 2 207.273 1.600 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccccc1C ZINC000042211488 343431245 /nfs/dbraw/zinc/43/12/45/343431245.db2.gz YEOIIYMOHMBGBK-UHFFFAOYSA-N 1 2 207.273 1.600 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H](CC)C(N)=O)s1 ZINC000177775061 346939291 /nfs/dbraw/zinc/93/92/91/346939291.db2.gz IPBOTEPNUJVZGX-VIFPVBQESA-N 1 2 241.360 1.401 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H](CC)C(N)=O)s1 ZINC000177775061 346939295 /nfs/dbraw/zinc/93/92/95/346939295.db2.gz IPBOTEPNUJVZGX-VIFPVBQESA-N 1 2 241.360 1.401 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000335834720 136353139 /nfs/dbraw/zinc/35/31/39/136353139.db2.gz MRDCVGXXHCPGEN-ONGXEEELSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000335834720 136353140 /nfs/dbraw/zinc/35/31/40/136353140.db2.gz MRDCVGXXHCPGEN-ONGXEEELSA-N 1 2 216.300 1.287 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Nc1cccc(F)n1 ZINC000042417126 343437278 /nfs/dbraw/zinc/43/72/78/343437278.db2.gz RTAUAECHLIUYOZ-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO Cc1cc(NC(=O)CC2(C)CC2)cc[nH+]1 ZINC000335891480 136358888 /nfs/dbraw/zinc/35/88/88/136358888.db2.gz OCPVEYKTZNOKLB-UHFFFAOYSA-N 1 2 204.273 1.941 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@H]1CCC12CCOCC2 ZINC000367109611 136361694 /nfs/dbraw/zinc/36/16/94/136361694.db2.gz UYUHFWOYUGLFMV-NSHDSACASA-N 1 2 240.347 1.060 20 0 BDADLO CC(=O)c1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000641095802 362223807 /nfs/dbraw/zinc/22/38/07/362223807.db2.gz KPSWXZDRJBROOR-UHFFFAOYSA-N 1 2 230.271 1.541 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc[nH+]c2ccncc21 ZINC000350669729 136362712 /nfs/dbraw/zinc/36/27/12/136362712.db2.gz NHDRJLWPAWLPRG-UWVGGRQHSA-N 1 2 229.283 1.589 20 0 BDADLO CC1(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)COC1 ZINC000351107908 136367964 /nfs/dbraw/zinc/36/79/64/136367964.db2.gz ZQDOHXDCKGYKPL-SNVBAGLBSA-N 1 2 221.304 1.583 20 0 BDADLO CC1(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)COC1 ZINC000351107908 136367965 /nfs/dbraw/zinc/36/79/65/136367965.db2.gz ZQDOHXDCKGYKPL-SNVBAGLBSA-N 1 2 221.304 1.583 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351107768 136367992 /nfs/dbraw/zinc/36/79/92/136367992.db2.gz ZCSAIYYUJJUBTK-LBPRGKRZSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351107768 136367993 /nfs/dbraw/zinc/36/79/93/136367993.db2.gz ZCSAIYYUJJUBTK-LBPRGKRZSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000351248951 136368585 /nfs/dbraw/zinc/36/85/85/136368585.db2.gz IGVVFFNMPLBULT-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000351248951 136368586 /nfs/dbraw/zinc/36/85/86/136368586.db2.gz IGVVFFNMPLBULT-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO CCc1cc(NCCOCCOC)nc[nH+]1 ZINC000044726215 343513417 /nfs/dbraw/zinc/51/34/17/343513417.db2.gz KBCJSNLISKNUOJ-UHFFFAOYSA-N 1 2 225.292 1.114 20 0 BDADLO COC(=O)[C@H](C)[N@H+](Cc1cn[nH]c1)C1CCC1 ZINC000616739582 343556492 /nfs/dbraw/zinc/55/64/92/343556492.db2.gz OZUQNWNQOVKLAI-VIFPVBQESA-N 1 2 237.303 1.326 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](Cc1cn[nH]c1)C1CCC1 ZINC000616739582 343556494 /nfs/dbraw/zinc/55/64/94/343556494.db2.gz OZUQNWNQOVKLAI-VIFPVBQESA-N 1 2 237.303 1.326 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@H]1CCCO1 ZINC000570175278 323052119 /nfs/dbraw/zinc/05/21/19/323052119.db2.gz IJRRDPNLEDCVCY-LLVKDONJSA-N 1 2 221.304 1.709 20 0 BDADLO COC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000048583669 343584048 /nfs/dbraw/zinc/58/40/48/343584048.db2.gz UXRXVVLHMYETBG-UHFFFAOYSA-N 1 2 237.299 1.560 20 0 BDADLO COC(=O)C[N@@H+](C)CCCOc1ccccc1 ZINC000048583669 343584049 /nfs/dbraw/zinc/58/40/49/343584049.db2.gz UXRXVVLHMYETBG-UHFFFAOYSA-N 1 2 237.299 1.560 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)c(C)o1 ZINC000048387558 343580148 /nfs/dbraw/zinc/58/01/48/343580148.db2.gz KNQBFQZYMDMYIK-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cn1cncc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734935 488225351 /nfs/dbraw/zinc/22/53/51/488225351.db2.gz WJCPMCABSUHOTK-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO Cn1c[nH+]cc1CN1CC2(C1)CC(F)(F)C2 ZINC000677734935 488225354 /nfs/dbraw/zinc/22/53/54/488225354.db2.gz WJCPMCABSUHOTK-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO CCc1nc(C[NH2+]CC(=O)NC2CC2)cs1 ZINC000049591244 343604015 /nfs/dbraw/zinc/60/40/15/343604015.db2.gz XLBVHTLSGNPXPO-UHFFFAOYSA-N 1 2 239.344 1.074 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc(F)ccc1O ZINC000622745831 343606027 /nfs/dbraw/zinc/60/60/27/343606027.db2.gz XSJYERJGRQLTFZ-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc(F)ccc1O ZINC000622745831 343606028 /nfs/dbraw/zinc/60/60/28/343606028.db2.gz XSJYERJGRQLTFZ-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO CCCn1nccc1C[N@H+]1CC[C@@H](F)C1 ZINC000668213847 488227548 /nfs/dbraw/zinc/22/75/48/488227548.db2.gz NJTPCJBFCORYQS-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCCO1)C(C)(C)C ZINC000119109240 343641845 /nfs/dbraw/zinc/64/18/45/343641845.db2.gz ZJCRGTUTUYVDRK-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000620074322 343630417 /nfs/dbraw/zinc/63/04/17/343630417.db2.gz DVOSRIQLPUDCMJ-YGRLFVJLSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)C ZINC000052073543 343631652 /nfs/dbraw/zinc/63/16/52/343631652.db2.gz JXSWSDGPJOCSBE-JTQLQIEISA-N 1 2 238.306 1.907 20 0 BDADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)C ZINC000052073543 343631654 /nfs/dbraw/zinc/63/16/54/343631654.db2.gz JXSWSDGPJOCSBE-JTQLQIEISA-N 1 2 238.306 1.907 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC(C)C)C(C)(C)C ZINC000119082020 343631975 /nfs/dbraw/zinc/63/19/75/343631975.db2.gz YMNMLANAHUKLMU-JTQLQIEISA-N 1 2 231.336 1.589 20 0 BDADLO C/C=C\c1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641169033 362249894 /nfs/dbraw/zinc/24/98/94/362249894.db2.gz RVVUHVYNEYCUAS-ARJAWSKDSA-N 1 2 230.271 1.763 20 0 BDADLO CCSCC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000380004435 365794997 /nfs/dbraw/zinc/79/49/97/365794997.db2.gz OQJXOOFNRBYZGF-NSHDSACASA-N 1 2 231.361 1.671 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)OC)C(C)(C)C ZINC000379983041 343663684 /nfs/dbraw/zinc/66/36/84/343663684.db2.gz IMILVAZLHKXUEM-DTWKUNHWSA-N 1 2 217.309 1.199 20 0 BDADLO CC(C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000057893942 343694721 /nfs/dbraw/zinc/69/47/21/343694721.db2.gz NTSKWTXRQLLENW-UHFFFAOYSA-N 1 2 217.272 1.720 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccccn1 ZINC000602985075 349837254 /nfs/dbraw/zinc/83/72/54/349837254.db2.gz JZIWPBDFFAOCHY-UHFFFAOYSA-N 1 2 246.310 1.752 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccccn1 ZINC000602985075 349837259 /nfs/dbraw/zinc/83/72/59/349837259.db2.gz JZIWPBDFFAOCHY-UHFFFAOYSA-N 1 2 246.310 1.752 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccsc1 ZINC000088094366 343705545 /nfs/dbraw/zinc/70/55/45/343705545.db2.gz XIIYVKWCFKVNIF-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccsc1 ZINC000088094366 343705547 /nfs/dbraw/zinc/70/55/47/343705547.db2.gz XIIYVKWCFKVNIF-ONGXEEELSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H](c1csnn1)N1CCc2[nH+]c[nH]c2C1 ZINC000625435737 343733038 /nfs/dbraw/zinc/73/30/38/343733038.db2.gz UWQPTSIJAYPBLH-SSDOTTSWSA-N 1 2 235.316 1.381 20 0 BDADLO Cc1cc(CN2CCc3[nH+]c[nH]c3C2)no1 ZINC000625434452 343735055 /nfs/dbraw/zinc/73/50/55/343735055.db2.gz UYVPRJIIJKRXIZ-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1nocc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625435460 343736352 /nfs/dbraw/zinc/73/63/52/343736352.db2.gz RIYCKXQSWRHPLT-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1cnc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000625437551 343740006 /nfs/dbraw/zinc/74/00/06/343740006.db2.gz SKCNYAKZEXJEML-SECBINFHSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cnns3)C2)c1 ZINC000625439964 343741239 /nfs/dbraw/zinc/74/12/39/343741239.db2.gz FSBVJSMLHDWAEY-SNVBAGLBSA-N 1 2 249.343 1.490 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cnns3)C2)c1 ZINC000625439964 343741240 /nfs/dbraw/zinc/74/12/40/343741240.db2.gz FSBVJSMLHDWAEY-SNVBAGLBSA-N 1 2 249.343 1.490 20 0 BDADLO CCN1C[C@@H](CNc2[nH+]cccc2OC)CC1=O ZINC000624351162 343729930 /nfs/dbraw/zinc/72/99/30/343729930.db2.gz UIEJRYFUVCEDPD-SNVBAGLBSA-N 1 2 249.314 1.371 20 0 BDADLO CN(CC(C)(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492765968 529843721 /nfs/dbraw/zinc/84/37/21/529843721.db2.gz MIFRCHOHYDUQOP-WAYWQWQTSA-N 1 2 221.304 1.927 20 0 BDADLO CCc1cc(N2CCC[C@H](C(=O)OC)C2)nc[nH+]1 ZINC000096523274 343758517 /nfs/dbraw/zinc/75/85/17/343758517.db2.gz YJYLLYMGXMFGCL-JTQLQIEISA-N 1 2 249.314 1.428 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](Cc3noc(C4CCC4)n3)C[C@H]12 ZINC000625445490 343765714 /nfs/dbraw/zinc/76/57/14/343765714.db2.gz NSJGKQXKBRPYPG-URLYPYJESA-N 1 2 249.314 1.007 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3noc(C4CCC4)n3)C[C@H]12 ZINC000625445490 343765716 /nfs/dbraw/zinc/76/57/16/343765716.db2.gz NSJGKQXKBRPYPG-URLYPYJESA-N 1 2 249.314 1.007 20 0 BDADLO CC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000336513695 537813841 /nfs/dbraw/zinc/81/38/41/537813841.db2.gz XJGNIUFMNWSTFK-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000336513695 537813851 /nfs/dbraw/zinc/81/38/51/537813851.db2.gz XJGNIUFMNWSTFK-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CSCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000393609021 343900631 /nfs/dbraw/zinc/90/06/31/343900631.db2.gz SFTNKKQRIFHFJI-UHFFFAOYSA-N 1 2 222.317 1.463 20 0 BDADLO CSCc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000603230084 349890938 /nfs/dbraw/zinc/89/09/38/349890938.db2.gz TVTPQLDYSADCMF-UHFFFAOYSA-N 1 2 234.328 1.893 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625514253 343914697 /nfs/dbraw/zinc/91/46/97/343914697.db2.gz PZDUXCWHHRDTAZ-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625514253 343914698 /nfs/dbraw/zinc/91/46/98/343914698.db2.gz PZDUXCWHHRDTAZ-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000068421069 343917157 /nfs/dbraw/zinc/91/71/57/343917157.db2.gz VAUJTSQKSYLUED-JTQLQIEISA-N 1 2 208.261 1.754 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000641246133 362313891 /nfs/dbraw/zinc/31/38/91/362313891.db2.gz ZUWOPQHSVUMYEA-IVZWLZJFSA-N 1 2 219.288 1.144 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC2(C)COC2)s1 ZINC000625792102 344076132 /nfs/dbraw/zinc/07/61/32/344076132.db2.gz SADSTRORXTYNOU-MRVPVSSYSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC2(C)COC2)s1 ZINC000625792102 344076133 /nfs/dbraw/zinc/07/61/33/344076133.db2.gz SADSTRORXTYNOU-MRVPVSSYSA-N 1 2 241.360 1.876 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(Cl)cn1 ZINC000624619805 344105755 /nfs/dbraw/zinc/10/57/55/344105755.db2.gz MSSRMEBYQHUQNR-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccc(Cl)cn1 ZINC000624619805 344105757 /nfs/dbraw/zinc/10/57/57/344105757.db2.gz MSSRMEBYQHUQNR-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO OCc1cc[nH+]c(NCCC2CCCC2)c1 ZINC000641281375 362343646 /nfs/dbraw/zinc/34/36/46/362343646.db2.gz PQQXTHZKGCUOFT-UHFFFAOYSA-N 1 2 220.316 1.988 20 0 BDADLO Cc1csc(CCNc2cc(CO)cc[nH+]2)n1 ZINC000641281592 362343669 /nfs/dbraw/zinc/34/36/69/362343669.db2.gz QMVLHSCWNNAJLN-UHFFFAOYSA-N 1 2 249.339 1.993 20 0 BDADLO C[C@@H]1CC[C@H](C(N)=O)CN1c1cc[nH+]cc1F ZINC000641299583 362351476 /nfs/dbraw/zinc/35/14/76/362351476.db2.gz OVGVFIDNXOQPGH-BDAKNGLRSA-N 1 2 237.278 1.311 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cscn2)CCO1 ZINC000634735732 344123134 /nfs/dbraw/zinc/12/31/34/344123134.db2.gz PHPYBQQAQVVRSY-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cscn2)CCO1 ZINC000634735732 344123138 /nfs/dbraw/zinc/12/31/38/344123138.db2.gz PHPYBQQAQVVRSY-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000564915311 344126942 /nfs/dbraw/zinc/12/69/42/344126942.db2.gz GBLYVYOPQSXEJD-MWLCHTKSSA-N 1 2 238.335 1.673 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000564915311 344126944 /nfs/dbraw/zinc/12/69/44/344126944.db2.gz GBLYVYOPQSXEJD-MWLCHTKSSA-N 1 2 238.335 1.673 20 0 BDADLO COc1cncc(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000631414966 344157072 /nfs/dbraw/zinc/15/70/72/344157072.db2.gz YLYUJPPBBFCYSB-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1cncc(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000631414966 344157074 /nfs/dbraw/zinc/15/70/74/344157074.db2.gz YLYUJPPBBFCYSB-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000130812047 344224323 /nfs/dbraw/zinc/22/43/23/344224323.db2.gz OMAPKYXWLYNYLP-RKDXNWHRSA-N 1 2 231.361 1.812 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@H](C(F)F)CC2)co1 ZINC000634757830 344225567 /nfs/dbraw/zinc/22/55/67/344225567.db2.gz BKILREKCIKVUOF-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@H](C(F)F)CC2)co1 ZINC000634757830 344225570 /nfs/dbraw/zinc/22/55/70/344225570.db2.gz BKILREKCIKVUOF-JTQLQIEISA-N 1 2 246.257 1.839 20 0 BDADLO CSC[C@H](C)Nc1cc[nH+]cc1F ZINC000603291369 349907887 /nfs/dbraw/zinc/90/78/87/349907887.db2.gz GLVPAHZYFCFNKA-ZETCQYMHSA-N 1 2 200.282 1.806 20 0 BDADLO O[C@H](CNc1cc[nH+]cc1F)C1CCCCC1 ZINC000641340274 362369591 /nfs/dbraw/zinc/36/95/91/362369591.db2.gz WHWJZMOGIMQFPZ-CYBMUJFWSA-N 1 2 238.306 1.996 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)OC ZINC000300019372 344365001 /nfs/dbraw/zinc/36/50/01/344365001.db2.gz JDDFETJBGKFTPS-HBNTYKKESA-N 1 2 243.347 1.467 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641374294 362382353 /nfs/dbraw/zinc/38/23/53/362382353.db2.gz UOMOEHDTOVKYRI-ONGXEEELSA-N 1 2 224.304 1.393 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781818 344323340 /nfs/dbraw/zinc/32/33/40/344323340.db2.gz PLSCQUCIDUTUHV-AOOOYVTPSA-N 1 2 235.287 1.025 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781818 344323343 /nfs/dbraw/zinc/32/33/43/344323343.db2.gz PLSCQUCIDUTUHV-AOOOYVTPSA-N 1 2 235.287 1.025 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H](C)O[C@H]2C)cc[nH+]1 ZINC000385118731 344331575 /nfs/dbraw/zinc/33/15/75/344331575.db2.gz JXELHJPWMWJBIV-OYNCUSHFSA-N 1 2 207.277 1.763 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(C(N)=O)cc1 ZINC000600627928 344344433 /nfs/dbraw/zinc/34/44/33/344344433.db2.gz VYHKZQIWEWMPHB-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(C(N)=O)cc1 ZINC000600627928 344344434 /nfs/dbraw/zinc/34/44/34/344344434.db2.gz VYHKZQIWEWMPHB-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(C(N)=O)cc1 ZINC000600627928 344344437 /nfs/dbraw/zinc/34/44/37/344344437.db2.gz VYHKZQIWEWMPHB-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO Cc1nc(C(=O)N[C@@H](C)c2[nH+]ccn2C)co1 ZINC000620603052 344352693 /nfs/dbraw/zinc/35/26/93/344352693.db2.gz DTOPOQMPEGOWAE-ZETCQYMHSA-N 1 2 234.259 1.208 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCCS1)c1[nH+]ccn1C ZINC000620603580 344353691 /nfs/dbraw/zinc/35/36/91/344353691.db2.gz LKOXNPBFVHRUHB-DTWKUNHWSA-N 1 2 239.344 1.493 20 0 BDADLO C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1[nH+]ccn1C ZINC000620603676 344354408 /nfs/dbraw/zinc/35/44/08/344354408.db2.gz MLQFQQLPIPMKJC-UKKRHICBSA-N 1 2 233.315 1.643 20 0 BDADLO C[C@@H](NC(=O)CCCF)c1[nH+]ccn1C ZINC000620607824 344358181 /nfs/dbraw/zinc/35/81/81/344358181.db2.gz JAUDVCBYWDUHMW-MRVPVSSYSA-N 1 2 213.256 1.347 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000447873928 201744604 /nfs/dbraw/zinc/74/46/04/201744604.db2.gz ULECPKQBBKPVQO-RKDXNWHRSA-N 1 2 239.319 1.396 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000447873928 201744608 /nfs/dbraw/zinc/74/46/08/201744608.db2.gz ULECPKQBBKPVQO-RKDXNWHRSA-N 1 2 239.319 1.396 20 0 BDADLO COc1cc[nH+]cc1CN1CCCc2n[nH]cc21 ZINC000584288142 344421986 /nfs/dbraw/zinc/42/19/86/344421986.db2.gz UPLVUVSZIZOFBP-UHFFFAOYSA-N 1 2 244.298 1.766 20 0 BDADLO C[C@@H](O)C[C@H](C)CNc1cc(CO)cc[nH+]1 ZINC000641389385 362387784 /nfs/dbraw/zinc/38/77/84/362387784.db2.gz NDYQJSWVWZMSQE-VHSXEESVSA-N 1 2 224.304 1.393 20 0 BDADLO CCc1cc(N[C@@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000168296015 537844290 /nfs/dbraw/zinc/84/42/90/537844290.db2.gz HURQHWLGOWVBBK-NXEZZACHSA-N 1 2 221.304 1.610 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641391077 362389313 /nfs/dbraw/zinc/38/93/13/362389313.db2.gz MAJULZPDTZLBST-IUCAKERBSA-N 1 2 210.277 1.003 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CC=CCC1 ZINC000605489845 344404618 /nfs/dbraw/zinc/40/46/18/344404618.db2.gz IXQCASKYNLNMBG-LBPRGKRZSA-N 1 2 233.315 1.888 20 0 BDADLO Fc1ccc(NCCn2cc[nH+]c2)nc1 ZINC000041050995 344416507 /nfs/dbraw/zinc/41/65/07/344416507.db2.gz NRQHAWAKLNPMCD-UHFFFAOYSA-N 1 2 206.224 1.529 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000584284991 344419316 /nfs/dbraw/zinc/41/93/16/344419316.db2.gz FJEQBAANJOJXIB-ZETCQYMHSA-N 1 2 248.252 1.779 20 0 BDADLO CC[C@H](F)C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000584284991 344419317 /nfs/dbraw/zinc/41/93/17/344419317.db2.gz FJEQBAANJOJXIB-ZETCQYMHSA-N 1 2 248.252 1.779 20 0 BDADLO CC(C)(CO)CCCNc1cc(CO)cc[nH+]1 ZINC000641393265 362391277 /nfs/dbraw/zinc/39/12/77/362391277.db2.gz UAHVYWIOJYRCRU-UHFFFAOYSA-N 1 2 238.331 1.206 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](OC)C1CC1)C(C)C ZINC000400259817 344449232 /nfs/dbraw/zinc/44/92/32/344449232.db2.gz SKCCDLXLOJAITO-QWRGUYRKSA-N 1 2 229.320 1.199 20 0 BDADLO COC(=O)CCC[N@H+](C)Cc1cscn1 ZINC000042866749 344469392 /nfs/dbraw/zinc/46/93/92/344469392.db2.gz YGQXGFQXEZRPGZ-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO COC(=O)CCC[N@@H+](C)Cc1cscn1 ZINC000042866749 344469395 /nfs/dbraw/zinc/46/93/95/344469395.db2.gz YGQXGFQXEZRPGZ-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000381203835 344484379 /nfs/dbraw/zinc/48/43/79/344484379.db2.gz FSDFMUZBNQUGMS-ZJUUUORDSA-N 1 2 219.288 1.266 20 0 BDADLO c1ccc(NCCOC[C@H]2CCOC2)[nH+]c1 ZINC000381388054 344500906 /nfs/dbraw/zinc/50/09/06/344500906.db2.gz MQPLFIOXYIAOJZ-NSHDSACASA-N 1 2 222.288 1.547 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cncc(Cl)n1 ZINC000043538114 344526995 /nfs/dbraw/zinc/52/69/95/344526995.db2.gz WSTQJYKCKYSMIP-MRVPVSSYSA-N 1 2 237.694 1.827 20 0 BDADLO C[C@@H]1C[C@@H]1N1C[C@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641406012 362397236 /nfs/dbraw/zinc/39/72/36/362397236.db2.gz LDTAKDKSBYBASN-LNLATYFQSA-N 1 2 249.289 1.064 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]1C)CC2 ZINC000625915629 344563075 /nfs/dbraw/zinc/56/30/75/344563075.db2.gz VJGMWRFFDZXKAW-VXGBXAGGSA-N 1 2 247.342 1.765 20 0 BDADLO CC(C)(C)c1noc(OCc2ccc[nH+]c2N)n1 ZINC000641449569 362424924 /nfs/dbraw/zinc/42/49/24/362424924.db2.gz CZQVTBZCHCAFKE-UHFFFAOYSA-N 1 2 248.286 1.923 20 0 BDADLO CCNC(=O)C(C)(C)CNc1cc[nH+]cc1F ZINC000641451999 362426181 /nfs/dbraw/zinc/42/61/81/362426181.db2.gz YABKWMSYOOLVCU-UHFFFAOYSA-N 1 2 239.294 1.217 20 0 BDADLO Cc1ccc(SCc2[nH+]ccn2C)nn1 ZINC000641456207 362429681 /nfs/dbraw/zinc/42/96/81/362429681.db2.gz IYPLQQZNDKLRSJ-UHFFFAOYSA-N 1 2 220.301 1.811 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000577742685 344594903 /nfs/dbraw/zinc/59/49/03/344594903.db2.gz CXOOYPDIXSJNIM-VXGBXAGGSA-N 1 2 248.326 1.741 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000577742685 344594905 /nfs/dbraw/zinc/59/49/05/344594905.db2.gz CXOOYPDIXSJNIM-VXGBXAGGSA-N 1 2 248.326 1.741 20 0 BDADLO C[C@H](CO)CCCNc1cc[nH+]cc1F ZINC000641465013 362439221 /nfs/dbraw/zinc/43/92/21/362439221.db2.gz RUBYJNLRVPBLPE-VIFPVBQESA-N 1 2 212.268 1.463 20 0 BDADLO CN(C[C@H](O)C1CC1)c1cc[nH+]cc1F ZINC000641423556 362407711 /nfs/dbraw/zinc/40/77/11/362407711.db2.gz UCJNSLYOSXQCED-NSHDSACASA-N 1 2 210.252 1.428 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493589629 529992103 /nfs/dbraw/zinc/99/21/03/529992103.db2.gz UHALKXCNGJLKRJ-PLNGDYQASA-N 1 2 230.271 1.410 20 0 BDADLO CCOC[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000625951552 344588389 /nfs/dbraw/zinc/58/83/89/344588389.db2.gz QHEKUVKHCCZOAA-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CCOC[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000625951552 344588392 /nfs/dbraw/zinc/58/83/92/344588392.db2.gz QHEKUVKHCCZOAA-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO Fc1c[nH+]ccc1NCCCO[C@@H]1CCOC1 ZINC000641433218 362416229 /nfs/dbraw/zinc/41/62/29/362416229.db2.gz SWRZIVMOSNKSGT-SNVBAGLBSA-N 1 2 240.278 1.250 20 0 BDADLO O[C@H]1CC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000641544444 362492126 /nfs/dbraw/zinc/49/21/26/362492126.db2.gz GSBWNJXNKLDPBB-BDAKNGLRSA-N 1 2 210.252 1.216 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1CCCOCC1 ZINC000641480238 362450045 /nfs/dbraw/zinc/45/00/45/362450045.db2.gz PBZXDYYXWISQDK-VIFPVBQESA-N 1 2 210.252 1.624 20 0 BDADLO Cc1cccc(CCNc2ncncc2C)[nH+]1 ZINC000641545083 362492366 /nfs/dbraw/zinc/49/23/66/362492366.db2.gz JUKSCMPHOYIYEJ-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CCc1cnc(CNc2cc[nH+]cc2F)o1 ZINC000641496483 362461435 /nfs/dbraw/zinc/46/14/35/362461435.db2.gz MHBOKRGOXUPVNF-UHFFFAOYSA-N 1 2 221.235 1.805 20 0 BDADLO CC(C)C[C@H](CO)N(C)c1cc(CO)cc[nH+]1 ZINC000641498088 362461472 /nfs/dbraw/zinc/46/14/72/362461472.db2.gz UQAVRVLUHONSDJ-GFCCVEGCSA-N 1 2 238.331 1.417 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc[nH+]cc1F ZINC000641497178 362462922 /nfs/dbraw/zinc/46/29/22/362462922.db2.gz QFGJKKCFUISBSM-PKRMOACSSA-N 1 2 210.252 1.382 20 0 BDADLO OCC[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1F ZINC000641503919 362466237 /nfs/dbraw/zinc/46/62/37/362466237.db2.gz JAVGZTFIVKKUPW-GXSJLCMTSA-N 1 2 224.279 1.606 20 0 BDADLO CSC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603293357 349914469 /nfs/dbraw/zinc/91/44/69/349914469.db2.gz NBEPPTZJNOHYHR-QMMMGPOBSA-N 1 2 212.318 1.737 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](C2CC2)O1 ZINC000641546746 362493362 /nfs/dbraw/zinc/49/33/62/362493362.db2.gz YREYMVBLKPBDMT-MFKMUULPSA-N 1 2 248.326 1.578 20 0 BDADLO CC[C@]1(C)CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641523657 362479870 /nfs/dbraw/zinc/47/98/70/362479870.db2.gz SIGOILCTJLIYLE-CYBMUJFWSA-N 1 2 236.315 1.579 20 0 BDADLO Cc1cncc(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000626004858 344666820 /nfs/dbraw/zinc/66/68/20/344666820.db2.gz PQKNWZYGJOBXTB-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cncc(C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000626004858 344666821 /nfs/dbraw/zinc/66/68/21/344666821.db2.gz PQKNWZYGJOBXTB-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626019263 344675142 /nfs/dbraw/zinc/67/51/42/344675142.db2.gz RHHVTTRZKWTDMV-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626019263 344675143 /nfs/dbraw/zinc/67/51/43/344675143.db2.gz RHHVTTRZKWTDMV-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555626 344779226 /nfs/dbraw/zinc/77/92/26/344779226.db2.gz NYPVIYAWLPJDLV-OUAUKWLOSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@H]([NH2+]Cc1nncn1C)c1ccsc1 ZINC000050344156 344783418 /nfs/dbraw/zinc/78/34/18/344783418.db2.gz UOSGPJDJWJGEBC-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CCC1(O)CC[NH+](Cc2ccon2)CC1 ZINC000075859238 344785906 /nfs/dbraw/zinc/78/59/06/344785906.db2.gz MWBOMYQMSJTADR-UHFFFAOYSA-N 1 2 210.277 1.412 20 0 BDADLO CCc1nc(C[N@@H+]2CCC(C)(C)C2)no1 ZINC000076013774 344790582 /nfs/dbraw/zinc/79/05/82/344790582.db2.gz GVSOHRYHHZFSGD-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@H+]2CCC(C)(C)C2)no1 ZINC000076013774 344790584 /nfs/dbraw/zinc/79/05/84/344790584.db2.gz GVSOHRYHHZFSGD-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000076111086 344795268 /nfs/dbraw/zinc/79/52/68/344795268.db2.gz UKUYTPPFILENOK-DTORHVGOSA-N 1 2 209.293 1.720 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000076111086 344795269 /nfs/dbraw/zinc/79/52/69/344795269.db2.gz UKUYTPPFILENOK-DTORHVGOSA-N 1 2 209.293 1.720 20 0 BDADLO CSCCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000562971355 323077473 /nfs/dbraw/zinc/07/74/73/323077473.db2.gz OUFDCAXZYXSRLJ-QMMMGPOBSA-N 1 2 245.373 1.012 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)o1 ZINC000628140377 344805588 /nfs/dbraw/zinc/80/55/88/344805588.db2.gz ITXJNKOCPKVNHG-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)o1 ZINC000628140377 344805589 /nfs/dbraw/zinc/80/55/89/344805589.db2.gz ITXJNKOCPKVNHG-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC000076817039 344806915 /nfs/dbraw/zinc/80/69/15/344806915.db2.gz FSYLKOQDERCBND-KZTGVZKYSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCCCO1 ZINC000076817039 344806916 /nfs/dbraw/zinc/80/69/16/344806916.db2.gz FSYLKOQDERCBND-KZTGVZKYSA-N 1 2 245.388 1.397 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)F)C2)s1 ZINC000678629089 488273165 /nfs/dbraw/zinc/27/31/65/488273165.db2.gz FFOMAVDZYVCLLH-ZETCQYMHSA-N 1 2 233.287 1.934 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)F)C2)s1 ZINC000678629089 488273167 /nfs/dbraw/zinc/27/31/67/488273167.db2.gz FFOMAVDZYVCLLH-ZETCQYMHSA-N 1 2 233.287 1.934 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000628143099 344812507 /nfs/dbraw/zinc/81/25/07/344812507.db2.gz BHPMDYDCQUZUFM-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000628143099 344812510 /nfs/dbraw/zinc/81/25/10/344812510.db2.gz BHPMDYDCQUZUFM-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CO[C@H]1CCCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628143099 344812511 /nfs/dbraw/zinc/81/25/11/344812511.db2.gz BHPMDYDCQUZUFM-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CCCSCC(=O)N(C)Cc1[nH+]ccn1C ZINC000077570310 344822678 /nfs/dbraw/zinc/82/26/78/344822678.db2.gz COWLJYKFBRCZJE-UHFFFAOYSA-N 1 2 241.360 1.522 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000408468356 344826875 /nfs/dbraw/zinc/82/68/75/344826875.db2.gz QFTVZBOLNYGUIN-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000408468356 344826876 /nfs/dbraw/zinc/82/68/76/344826876.db2.gz QFTVZBOLNYGUIN-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000078345096 344849876 /nfs/dbraw/zinc/84/98/76/344849876.db2.gz WNNYBCJVHPUCBZ-UHFFFAOYSA-N 1 2 243.310 1.898 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000153265196 344842266 /nfs/dbraw/zinc/84/22/66/344842266.db2.gz KGDXTNBHMACYCW-MWLCHTKSSA-N 1 2 220.272 1.896 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc[nH+]1 ZINC000078566011 344883720 /nfs/dbraw/zinc/88/37/20/344883720.db2.gz NRQXMSDTNLMIHD-GDPRMGEGSA-N 1 2 246.314 1.206 20 0 BDADLO CCN(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000583391963 344874953 /nfs/dbraw/zinc/87/49/53/344874953.db2.gz OFSBKXAKMPOFTK-UHFFFAOYSA-N 1 2 210.281 1.303 20 0 BDADLO CCN(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000583391963 344874955 /nfs/dbraw/zinc/87/49/55/344874955.db2.gz OFSBKXAKMPOFTK-UHFFFAOYSA-N 1 2 210.281 1.303 20 0 BDADLO O=C1C[C@@]2(CN1)CCCN(c1cccc[nH+]1)C2 ZINC000078569059 344884565 /nfs/dbraw/zinc/88/45/65/344884565.db2.gz VOKOONKZBYELGX-CYBMUJFWSA-N 1 2 231.299 1.188 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628178888 344913087 /nfs/dbraw/zinc/91/30/87/344913087.db2.gz HDHHWLPJDKCMFD-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628178888 344913090 /nfs/dbraw/zinc/91/30/90/344913090.db2.gz HDHHWLPJDKCMFD-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C)[C@@H]2C)[nH+]c1C ZINC000628175948 344899845 /nfs/dbraw/zinc/89/98/45/344899845.db2.gz PAONJDNAJVDBSZ-QWRGUYRKSA-N 1 2 223.320 1.636 20 0 BDADLO CCn1cc(CN(C)Cc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000628176273 344903851 /nfs/dbraw/zinc/90/38/51/344903851.db2.gz CHHYLCDJCDOKJC-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@H]1CF ZINC000578993561 344929661 /nfs/dbraw/zinc/92/96/61/344929661.db2.gz XBRVJFXERKACLI-QMMMGPOBSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@H]1CF ZINC000578993561 344929664 /nfs/dbraw/zinc/92/96/64/344929664.db2.gz XBRVJFXERKACLI-QMMMGPOBSA-N 1 2 215.297 1.780 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C(F)(F)F)C2)[nH+]1 ZINC000628181056 344919650 /nfs/dbraw/zinc/91/96/50/344919650.db2.gz OMUVZVHSPCRMRH-MRVPVSSYSA-N 1 2 249.236 1.481 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnccn2)CC(C)(C)O1 ZINC000583426531 344945401 /nfs/dbraw/zinc/94/54/01/344945401.db2.gz UIKSBIBZBYMUPK-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnccn2)CC(C)(C)O1 ZINC000583426531 344945402 /nfs/dbraw/zinc/94/54/02/344945402.db2.gz UIKSBIBZBYMUPK-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628201980 344976139 /nfs/dbraw/zinc/97/61/39/344976139.db2.gz CMDFVBHAHPKGMI-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO CC1(C)SC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641559587 362504407 /nfs/dbraw/zinc/50/44/07/362504407.db2.gz PIOSYEAKPPDTMV-VIFPVBQESA-N 1 2 224.329 1.880 20 0 BDADLO CC[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000355569563 345025751 /nfs/dbraw/zinc/02/57/51/345025751.db2.gz RDTBRJDFARILGS-UHFFFAOYSA-N 1 2 237.391 1.322 20 0 BDADLO CC[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000355569563 345025754 /nfs/dbraw/zinc/02/57/54/345025754.db2.gz RDTBRJDFARILGS-UHFFFAOYSA-N 1 2 237.391 1.322 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1F ZINC000641619091 362552959 /nfs/dbraw/zinc/55/29/59/362552959.db2.gz ABKGOLJIFGIJON-GHMZBOCLSA-N 1 2 210.252 1.622 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(C)(F)C1 ZINC000684252820 488282023 /nfs/dbraw/zinc/28/20/23/488282023.db2.gz UOWARXWDXOAUTG-VIFPVBQESA-N 1 2 240.282 1.025 20 0 BDADLO CC[C@@H](SC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000125543452 345082656 /nfs/dbraw/zinc/08/26/56/345082656.db2.gz UXKHBVLPUPESLB-SECBINFHSA-N 1 2 241.360 1.520 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC000641593444 362532722 /nfs/dbraw/zinc/53/27/22/362532722.db2.gz XVRVJWNEZMGAHV-MNOVXSKESA-N 1 2 204.273 1.563 20 0 BDADLO C[C@@H]1CSC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641592029 362534609 /nfs/dbraw/zinc/53/46/09/362534609.db2.gz IFENBTSATZPZIH-SCZZXKLOSA-N 1 2 224.329 1.737 20 0 BDADLO Cc1nc(C)c(CNc2cc(CO)cc[nH+]2)o1 ZINC000641600444 362539292 /nfs/dbraw/zinc/53/92/92/362539292.db2.gz RFRDMAVOEFLFJO-UHFFFAOYSA-N 1 2 233.271 1.791 20 0 BDADLO OC[C@@H](Nc1cc[nH+]cc1F)C1CCCC1 ZINC000641604032 362541607 /nfs/dbraw/zinc/54/16/07/362541607.db2.gz JQAMSQUNZFIDHO-GFCCVEGCSA-N 1 2 224.279 1.606 20 0 BDADLO C[C@@H](CCO)CCNc1cc[nH+]cc1F ZINC000641613953 362545257 /nfs/dbraw/zinc/54/52/57/362545257.db2.gz UIFWPJPJAKLKBM-SECBINFHSA-N 1 2 212.268 1.463 20 0 BDADLO Cc1cncnc1SC[C@@H]1C[N@H+](C)CCO1 ZINC000641645947 362572343 /nfs/dbraw/zinc/57/23/43/362572343.db2.gz UOOZKGSJYABGJD-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cc1cncnc1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000641645947 362572345 /nfs/dbraw/zinc/57/23/45/362572345.db2.gz UOOZKGSJYABGJD-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000162244102 201794949 /nfs/dbraw/zinc/79/49/49/201794949.db2.gz YCURLISFCICTBV-GHMZBOCLSA-N 1 2 245.363 1.713 20 0 BDADLO COC[C@H](CCNc1cc(CO)cc[nH+]1)OC ZINC000641656356 362579942 /nfs/dbraw/zinc/57/99/42/362579942.db2.gz GLINQDNVQPFPQQ-NSHDSACASA-N 1 2 240.303 1.037 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NCc1ccon1 ZINC000634983455 345166373 /nfs/dbraw/zinc/16/63/73/345166373.db2.gz OPRNZOZNCAWJGN-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000634987291 345169287 /nfs/dbraw/zinc/16/92/87/345169287.db2.gz QZBCDQBKAXRTTC-GWCFXTLKSA-N 1 2 232.283 1.886 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000634987294 345169367 /nfs/dbraw/zinc/16/93/67/345169367.db2.gz QZBCDQBKAXRTTC-ZWNOBZJWSA-N 1 2 232.283 1.886 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)[C@H](O)C(F)(F)F ZINC000634988025 345170135 /nfs/dbraw/zinc/17/01/35/345170135.db2.gz KOYZZFOKXAKSGU-VDTYLAMSSA-N 1 2 224.182 1.076 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C3CCC2CC3)[nH+]1 ZINC000635180273 345266485 /nfs/dbraw/zinc/26/64/85/345266485.db2.gz LGTKGYMQLLYDPO-UHFFFAOYSA-N 1 2 233.315 1.668 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635190342 345269242 /nfs/dbraw/zinc/26/92/42/345269242.db2.gz ZNUIKAVLMKTPFL-IVZWLZJFSA-N 1 2 221.304 1.818 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635190342 345269244 /nfs/dbraw/zinc/26/92/44/345269244.db2.gz ZNUIKAVLMKTPFL-IVZWLZJFSA-N 1 2 221.304 1.818 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635190343 345269374 /nfs/dbraw/zinc/26/93/74/345269374.db2.gz ZNUIKAVLMKTPFL-OPRDCNLKSA-N 1 2 221.304 1.818 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635190343 345269377 /nfs/dbraw/zinc/26/93/77/345269377.db2.gz ZNUIKAVLMKTPFL-OPRDCNLKSA-N 1 2 221.304 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)C(C)C)[nH+]1 ZINC000635225316 345278719 /nfs/dbraw/zinc/27/87/19/345278719.db2.gz CXZVQHAAKBFURW-UHFFFAOYSA-N 1 2 209.293 1.381 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2CCCC2)[nH+]1 ZINC000635253867 345287710 /nfs/dbraw/zinc/28/77/10/345287710.db2.gz UANSTUIODWLSLI-UHFFFAOYSA-N 1 2 235.331 1.821 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1(CCO)CC1 ZINC000564739443 345341088 /nfs/dbraw/zinc/34/10/88/345341088.db2.gz BWMHHQFKVRBMDV-UHFFFAOYSA-N 1 2 221.304 1.090 20 0 BDADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000132817926 345346592 /nfs/dbraw/zinc/34/65/92/345346592.db2.gz CDJAMLOPXNNGGE-QMMMGPOBSA-N 1 2 231.303 1.821 20 0 BDADLO CCC(=O)N1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000425275207 192087793 /nfs/dbraw/zinc/08/77/93/192087793.db2.gz NFIDRBVXQCEQPI-UHFFFAOYSA-N 1 2 248.330 1.616 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ocnc1C ZINC000080611217 345360787 /nfs/dbraw/zinc/36/07/87/345360787.db2.gz VJAACMXQRDDMGC-UHFFFAOYSA-N 1 2 233.227 1.639 20 0 BDADLO O=C(Nc1ccc[nH]c1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635454936 345377443 /nfs/dbraw/zinc/37/74/43/345377443.db2.gz NTWFGJLNCPXGDS-HTQZYQBOSA-N 1 2 244.254 1.253 20 0 BDADLO O=C(Nc1ccc[nH]c1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635454936 345377445 /nfs/dbraw/zinc/37/74/45/345377445.db2.gz NTWFGJLNCPXGDS-HTQZYQBOSA-N 1 2 244.254 1.253 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CC1CC1 ZINC000259816238 345378935 /nfs/dbraw/zinc/37/89/35/345378935.db2.gz WCKPMWCNBXBJQV-JTQLQIEISA-N 1 2 229.345 1.377 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CC1CC1 ZINC000259816238 345378937 /nfs/dbraw/zinc/37/89/37/345378937.db2.gz WCKPMWCNBXBJQV-JTQLQIEISA-N 1 2 229.345 1.377 20 0 BDADLO O=C(NCc1cscn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635454753 345379588 /nfs/dbraw/zinc/37/95/88/345379588.db2.gz HXKIVVTYQHKLIM-RKDXNWHRSA-N 1 2 248.311 1.286 20 0 BDADLO O=C(NCc1cscn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635454753 345379592 /nfs/dbraw/zinc/37/95/92/345379592.db2.gz HXKIVVTYQHKLIM-RKDXNWHRSA-N 1 2 248.311 1.286 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635467276 345384457 /nfs/dbraw/zinc/38/44/57/345384457.db2.gz KRLZBIYNSXPWSP-IVZWLZJFSA-N 1 2 219.288 1.382 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635467276 345384460 /nfs/dbraw/zinc/38/44/60/345384460.db2.gz KRLZBIYNSXPWSP-IVZWLZJFSA-N 1 2 219.288 1.382 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635375076 345332272 /nfs/dbraw/zinc/33/22/72/345332272.db2.gz IFORZQNMXROKSM-NXEZZACHSA-N 1 2 219.288 1.382 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635375076 345332273 /nfs/dbraw/zinc/33/22/73/345332273.db2.gz IFORZQNMXROKSM-NXEZZACHSA-N 1 2 219.288 1.382 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000635506859 345405997 /nfs/dbraw/zinc/40/59/97/345405997.db2.gz WHJDOTCUGSTPHD-ONGXEEELSA-N 1 2 235.331 1.819 20 0 BDADLO C[C@@H](CNC(=O)C1CC=CC1)Cn1cc[nH+]c1 ZINC000081799390 345492687 /nfs/dbraw/zinc/49/26/87/345492687.db2.gz WVRDGBBAPMWPRI-NSHDSACASA-N 1 2 233.315 1.602 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccsc1 ZINC000082268877 345499859 /nfs/dbraw/zinc/49/98/59/345499859.db2.gz TZDGXFHIXLGIIG-UHFFFAOYSA-N 1 2 221.285 1.412 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641660637 362587323 /nfs/dbraw/zinc/58/73/23/362587323.db2.gz HVABZMFAPHUPKT-MNOVXSKESA-N 1 2 236.315 1.578 20 0 BDADLO CC1(C)OCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641671797 362596332 /nfs/dbraw/zinc/59/63/32/362596332.db2.gz YLUVQZBYQNXZQA-SECBINFHSA-N 1 2 224.279 1.870 20 0 BDADLO Cc1nnc(NC(C)(C)c2[nH]cc[nH+]2)nc1C ZINC000641664603 362589641 /nfs/dbraw/zinc/58/96/41/362589641.db2.gz JPKWYENOZGDNIP-UHFFFAOYSA-N 1 2 232.291 1.559 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000641665234 362590101 /nfs/dbraw/zinc/59/01/01/362590101.db2.gz SQMZFRRMVDTHDE-GHMZBOCLSA-N 1 2 204.273 1.420 20 0 BDADLO Cc1cnc(NC(C)(C)c2[nH]cc[nH+]2)nc1 ZINC000641665339 362590140 /nfs/dbraw/zinc/59/01/40/362590140.db2.gz SORQTTVNAKNQNO-UHFFFAOYSA-N 1 2 217.276 1.855 20 0 BDADLO O=C(NCCOCC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635538305 345507540 /nfs/dbraw/zinc/50/75/40/345507540.db2.gz JUORIUWEPNJFGH-GHMZBOCLSA-N 1 2 249.314 1.056 20 0 BDADLO O=C(NCCOCC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635538305 345507543 /nfs/dbraw/zinc/50/75/43/345507543.db2.gz JUORIUWEPNJFGH-GHMZBOCLSA-N 1 2 249.314 1.056 20 0 BDADLO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccn[nH]2)c1 ZINC000081197281 345467349 /nfs/dbraw/zinc/46/73/49/345467349.db2.gz UHIYLEOUNSLBEN-STQMWFEESA-N 1 2 245.330 1.880 20 0 BDADLO CC(C)CS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000084015226 345509660 /nfs/dbraw/zinc/50/96/60/345509660.db2.gz CWWNEORSASHRPV-UHFFFAOYSA-N 1 2 240.328 1.430 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)nn1C ZINC000090009601 345562970 /nfs/dbraw/zinc/56/29/70/345562970.db2.gz FCBZUZFLLDKPLS-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)nn1C ZINC000090009601 345562971 /nfs/dbraw/zinc/56/29/71/345562971.db2.gz FCBZUZFLLDKPLS-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccn(C)c1 ZINC000093773048 345664747 /nfs/dbraw/zinc/66/47/47/345664747.db2.gz WLXCOUYTFUIFFW-LLVKDONJSA-N 1 2 238.331 1.797 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccn(C)c1 ZINC000093773048 345664749 /nfs/dbraw/zinc/66/47/49/345664749.db2.gz WLXCOUYTFUIFFW-LLVKDONJSA-N 1 2 238.331 1.797 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccc(C)nc2)no1 ZINC000641707509 362618951 /nfs/dbraw/zinc/61/89/51/362618951.db2.gz FJISJYSOZBYYPG-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO COCc1cc(C[NH2+]Cc2cccc(O)c2)no1 ZINC000641713708 362620796 /nfs/dbraw/zinc/62/07/96/362620796.db2.gz QKHGZRFBRZWEDA-UHFFFAOYSA-N 1 2 248.282 1.816 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1C[C@@H]2C[C@]2(O)C1 ZINC000641713484 362625348 /nfs/dbraw/zinc/62/53/48/362625348.db2.gz SVDJZVCENFYLGG-XPTSAGLGSA-N 1 2 241.294 1.388 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000093317429 345652120 /nfs/dbraw/zinc/65/21/20/345652120.db2.gz RQNMAWABHGVGKC-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000093317429 345652123 /nfs/dbraw/zinc/65/21/23/345652123.db2.gz RQNMAWABHGVGKC-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)[C@@H](C)O1 ZINC000641681427 362603325 /nfs/dbraw/zinc/60/33/25/362603325.db2.gz HHYKVWROSISULR-SOCHQFKDSA-N 1 2 210.252 1.620 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000641690774 362605523 /nfs/dbraw/zinc/60/55/23/362605523.db2.gz SCBBOIFWUCVBBT-BXKDBHETSA-N 1 2 222.263 1.622 20 0 BDADLO c1cn(CC2CC2)c(CN2CCOCC2)[nH+]1 ZINC000641726259 362642485 /nfs/dbraw/zinc/64/24/85/362642485.db2.gz PMYHMEPCBZPAOU-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc[nH]n1 ZINC000093455701 345672122 /nfs/dbraw/zinc/67/21/22/345672122.db2.gz ZSVQPVBNUOOJHC-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000093455701 345672124 /nfs/dbraw/zinc/67/21/24/345672124.db2.gz ZSVQPVBNUOOJHC-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO C[C@H](NCC(C)(F)F)c1[nH+]ccn1C ZINC000378861910 345691027 /nfs/dbraw/zinc/69/10/27/345691027.db2.gz RWTWYHXJTQFVRK-ZETCQYMHSA-N 1 2 203.236 1.726 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C2CC2)o1 ZINC000138341358 345693836 /nfs/dbraw/zinc/69/38/36/345693836.db2.gz CKRJRJCSDCNEEB-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C2CC2)o1 ZINC000138341358 345693839 /nfs/dbraw/zinc/69/38/39/345693839.db2.gz CKRJRJCSDCNEEB-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000212048854 345738950 /nfs/dbraw/zinc/73/89/50/345738950.db2.gz KVOLNEMCDCXVQY-GFCCVEGCSA-N 1 2 238.718 1.833 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000082791783 345759681 /nfs/dbraw/zinc/75/96/81/345759681.db2.gz COQZFECKBCZFFN-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2cc(OC)ccc2C1 ZINC000082791783 345759683 /nfs/dbraw/zinc/75/96/83/345759683.db2.gz COQZFECKBCZFFN-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO c1c[nH+]c(CN2CCc3ncsc3C2)[nH]1 ZINC000226044597 345751172 /nfs/dbraw/zinc/75/11/72/345751172.db2.gz LPHVYKWYCDWMDY-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccnc1 ZINC000635555242 345700280 /nfs/dbraw/zinc/70/02/80/345700280.db2.gz ZBNDFMXNSZAQLK-GHMZBOCLSA-N 1 2 242.282 1.571 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccnc1 ZINC000635555242 345700285 /nfs/dbraw/zinc/70/02/85/345700285.db2.gz ZBNDFMXNSZAQLK-GHMZBOCLSA-N 1 2 242.282 1.571 20 0 BDADLO Cc1n[nH]c(C)c1C[NH2+]Cc1ncc[nH]1 ZINC000070621345 345791638 /nfs/dbraw/zinc/79/16/38/345791638.db2.gz SBCIVPKZSBZADQ-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)[C@@H](C)O1 ZINC000631464008 345802428 /nfs/dbraw/zinc/80/24/28/345802428.db2.gz KJVCLOYCWUIOPN-KKZNHRDASA-N 1 2 233.315 1.754 20 0 BDADLO C[C@@H](NC(=O)Cc1cccnc1)c1[nH]cc[nH+]1 ZINC000140826737 345822655 /nfs/dbraw/zinc/82/26/55/345822655.db2.gz FNBMJBZCMJNIJQ-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H](NC(=O)Cc1ccccc1F)c1[nH]cc[nH+]1 ZINC000141026344 345829194 /nfs/dbraw/zinc/82/91/94/345829194.db2.gz NKUCLFHHTLGXGE-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO C[C@@H](NC(=O)Cc1ccccc1)c1[nH]cc[nH+]1 ZINC000141109527 345836530 /nfs/dbraw/zinc/83/65/30/345836530.db2.gz OFBCCWRZWYSBTC-SNVBAGLBSA-N 1 2 229.283 1.830 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2CCSC2)c1Cl ZINC000236393668 537914500 /nfs/dbraw/zinc/91/45/00/537914500.db2.gz MONJWKRZAUYNNZ-RXMQYKEDSA-N 1 2 230.724 1.630 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2CCSC2)c1Cl ZINC000236393668 537914511 /nfs/dbraw/zinc/91/45/11/537914511.db2.gz MONJWKRZAUYNNZ-RXMQYKEDSA-N 1 2 230.724 1.630 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCn2cccc2)[nH+]1 ZINC000635621616 345897028 /nfs/dbraw/zinc/89/70/28/345897028.db2.gz BLFQXLINVBCFRW-UHFFFAOYSA-N 1 2 246.314 1.133 20 0 BDADLO Cc1cn2ccc(C(=O)NCC(C)(C)O)cc2[nH+]1 ZINC000635630054 345904957 /nfs/dbraw/zinc/90/49/57/345904957.db2.gz KGUZINMDPLXZBO-UHFFFAOYSA-N 1 2 247.298 1.143 20 0 BDADLO C[C@@H]1C[C@H](C)CN(c2cc(N)nc[nH+]2)C1 ZINC000082426440 345909247 /nfs/dbraw/zinc/90/92/47/345909247.db2.gz VCFASFMRUIHMQN-DTORHVGOSA-N 1 2 206.293 1.541 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635642073 345914874 /nfs/dbraw/zinc/91/48/74/345914874.db2.gz RLWUVNFKVQPPKM-NXEZZACHSA-N 1 2 230.271 1.158 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635642073 345914878 /nfs/dbraw/zinc/91/48/78/345914878.db2.gz RLWUVNFKVQPPKM-NXEZZACHSA-N 1 2 230.271 1.158 20 0 BDADLO Cc1cncc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635656531 345936417 /nfs/dbraw/zinc/93/64/17/345936417.db2.gz MISBLUQOCUWGPF-GHMZBOCLSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1cncc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635656531 345936420 /nfs/dbraw/zinc/93/64/20/345936420.db2.gz MISBLUQOCUWGPF-GHMZBOCLSA-N 1 2 242.282 1.855 20 0 BDADLO CNc1cc(NC[C@H]2CCCO2)[nH+]cn1 ZINC000087808367 345941810 /nfs/dbraw/zinc/94/18/10/345941810.db2.gz UKUWPBXWVZETPM-MRVPVSSYSA-N 1 2 208.265 1.109 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CC(F)(F)C1 ZINC000394746648 323100778 /nfs/dbraw/zinc/10/07/78/323100778.db2.gz XEVYIYHSBFNHQG-UHFFFAOYSA-N 1 2 215.203 1.071 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CC(F)(F)C1 ZINC000394746648 323100779 /nfs/dbraw/zinc/10/07/79/323100779.db2.gz XEVYIYHSBFNHQG-UHFFFAOYSA-N 1 2 215.203 1.071 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635681621 345975804 /nfs/dbraw/zinc/97/58/04/345975804.db2.gz DWLKJQYAEGBFQC-NXEZZACHSA-N 1 2 217.272 1.348 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635681621 345975807 /nfs/dbraw/zinc/97/58/07/345975807.db2.gz DWLKJQYAEGBFQC-NXEZZACHSA-N 1 2 217.272 1.348 20 0 BDADLO CC(C)C[C@@H](C(=O)NCCCF)n1cc[nH+]c1 ZINC000635704369 345990482 /nfs/dbraw/zinc/99/04/82/345990482.db2.gz HGZYBAKQVJEFHV-NSHDSACASA-N 1 2 241.310 1.946 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC=C(F)C2)[nH+]1 ZINC000635764499 346057213 /nfs/dbraw/zinc/05/72/13/346057213.db2.gz MYQXCAWJCICJAV-UHFFFAOYSA-N 1 2 237.278 1.600 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000381481198 346032807 /nfs/dbraw/zinc/03/28/07/346032807.db2.gz DMUHAFWKSDFUMI-UWVGGRQHSA-N 1 2 221.304 1.611 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153816328 537933990 /nfs/dbraw/zinc/93/39/90/537933990.db2.gz HNQITLNHBKNZFE-BETUJISGSA-N 1 2 247.342 1.922 20 0 BDADLO CC(C)(C)n1nnnc1C[NH+]1CCCCC1 ZINC000148640919 346038619 /nfs/dbraw/zinc/03/86/19/346038619.db2.gz JQFZZXJNBZWPSF-UHFFFAOYSA-N 1 2 223.324 1.414 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](C2CC2)C1 ZINC000635748375 346048023 /nfs/dbraw/zinc/04/80/23/346048023.db2.gz BQPMYXDFECNTJS-IJLUTSLNSA-N 1 2 245.326 1.772 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000635748375 346048024 /nfs/dbraw/zinc/04/80/24/346048024.db2.gz BQPMYXDFECNTJS-IJLUTSLNSA-N 1 2 245.326 1.772 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1CCC=CCC1 ZINC000635788364 346069552 /nfs/dbraw/zinc/06/95/52/346069552.db2.gz AHVBJQSCJRVDNQ-UHFFFAOYSA-N 1 2 247.342 1.825 20 0 BDADLO O=C(Nc1ncccc1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635790067 346070144 /nfs/dbraw/zinc/07/01/44/346070144.db2.gz BIMDGSGJSFFDMX-HTQZYQBOSA-N 1 2 244.254 1.253 20 0 BDADLO O=C(Nc1ncccc1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635790067 346070147 /nfs/dbraw/zinc/07/01/47/346070147.db2.gz BIMDGSGJSFFDMX-HTQZYQBOSA-N 1 2 244.254 1.253 20 0 BDADLO CC[C@@H](NC(=O)c1[nH]cnc1C)c1[nH]cc[nH+]1 ZINC000635807077 346072778 /nfs/dbraw/zinc/07/27/78/346072778.db2.gz LGDROPJZFUBZNS-MRVPVSSYSA-N 1 2 233.275 1.322 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC2(CC2)C1 ZINC000635810575 346074246 /nfs/dbraw/zinc/07/42/46/346074246.db2.gz AWMFLHVXWVORQI-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC2(CC2)C1 ZINC000635810575 346074247 /nfs/dbraw/zinc/07/42/47/346074247.db2.gz AWMFLHVXWVORQI-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)[C@@H](C)[C@@H](C)O1 ZINC000438370474 537939874 /nfs/dbraw/zinc/93/98/74/537939874.db2.gz CKMQWXATYSCFIK-OUAUKWLOSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)[C@@H](C)[C@@H](C)O1 ZINC000438370474 537939877 /nfs/dbraw/zinc/93/98/77/537939877.db2.gz CKMQWXATYSCFIK-OUAUKWLOSA-N 1 2 221.304 1.474 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C)(F)C2)[nH+]1 ZINC000635875341 346095198 /nfs/dbraw/zinc/09/51/98/346095198.db2.gz MAKKGZBQBQLAOV-UHFFFAOYSA-N 1 2 225.267 1.085 20 0 BDADLO CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635875710 346095399 /nfs/dbraw/zinc/09/53/99/346095399.db2.gz TZYQHYJTXNOMSY-NXEZZACHSA-N 1 2 233.315 1.820 20 0 BDADLO CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635875710 346095403 /nfs/dbraw/zinc/09/54/03/346095403.db2.gz TZYQHYJTXNOMSY-NXEZZACHSA-N 1 2 233.315 1.820 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccncc1 ZINC000169798195 346103304 /nfs/dbraw/zinc/10/33/04/346103304.db2.gz WKZAUNKIJVVMGG-NSHDSACASA-N 1 2 242.282 1.023 20 0 BDADLO CC(C)C[C@H](C(=O)N1CCOC1)n1cc[nH+]c1 ZINC000635984817 346138166 /nfs/dbraw/zinc/13/81/66/346138166.db2.gz ZTBMOZBJOJOLLH-LLVKDONJSA-N 1 2 237.303 1.287 20 0 BDADLO FC1(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000684362228 488301373 /nfs/dbraw/zinc/30/13/73/488301373.db2.gz MYZVSAMTAZBYGY-WDEREUQCSA-N 1 2 229.295 1.368 20 0 BDADLO FC1(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000684362228 488301377 /nfs/dbraw/zinc/30/13/77/488301377.db2.gz MYZVSAMTAZBYGY-WDEREUQCSA-N 1 2 229.295 1.368 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636016706 346156696 /nfs/dbraw/zinc/15/66/96/346156696.db2.gz WDKDRQWIQZUJLK-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636016706 346156699 /nfs/dbraw/zinc/15/66/99/346156699.db2.gz WDKDRQWIQZUJLK-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO CCOc1nnc(C[N@H+](C)C(C)(C)CO)s1 ZINC000605576564 346199524 /nfs/dbraw/zinc/19/95/24/346199524.db2.gz WUPSWQDJQGCIQC-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)C(C)(C)CO)s1 ZINC000605576564 346199526 /nfs/dbraw/zinc/19/95/26/346199526.db2.gz WUPSWQDJQGCIQC-UHFFFAOYSA-N 1 2 245.348 1.140 20 0 BDADLO CC[C@]1(C)COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628240727 346203318 /nfs/dbraw/zinc/20/33/18/346203318.db2.gz QJDGSRQKIBBTDJ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[C@@H]1C ZINC000628244735 346209264 /nfs/dbraw/zinc/20/92/64/346209264.db2.gz UDMNUIUBTAVNRA-JOYOIKCWSA-N 1 2 237.347 1.883 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)[nH+]1 ZINC000628244818 346209410 /nfs/dbraw/zinc/20/94/10/346209410.db2.gz WULLGPSRISYVCJ-GARJFASQSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]c(CN2CCc3ncsc3C2)[nH+]1 ZINC000628244726 346209502 /nfs/dbraw/zinc/20/95/02/346209502.db2.gz SWSOGXVSEIZGIJ-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cnc(C)o1)CC2 ZINC000628236691 346191648 /nfs/dbraw/zinc/19/16/48/346191648.db2.gz LPROUNQQTNARTJ-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000628252186 346224285 /nfs/dbraw/zinc/22/42/85/346224285.db2.gz KOIZGADIQIIMAH-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000628252186 346224287 /nfs/dbraw/zinc/22/42/87/346224287.db2.gz KOIZGADIQIIMAH-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO CCc1cc(N(C)C[C@@H]2CCCO2)nc[nH+]1 ZINC000603389627 349943065 /nfs/dbraw/zinc/94/30/65/349943065.db2.gz LHWZXWLHAWPIOA-NSHDSACASA-N 1 2 221.304 1.654 20 0 BDADLO CCc1cc(N(C)CCN2CCCC2=O)nc[nH+]1 ZINC000603398441 349946450 /nfs/dbraw/zinc/94/64/50/349946450.db2.gz OQYRWZVJRLRIAV-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BDADLO CS[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534300311 323115921 /nfs/dbraw/zinc/11/59/21/323115921.db2.gz RYKVJKBEMOTAFH-SECBINFHSA-N 1 2 224.329 1.810 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C(C)C)C(C)C ZINC000636799529 349948056 /nfs/dbraw/zinc/94/80/56/349948056.db2.gz OLEYKSZRMOWJHV-GFCCVEGCSA-N 1 2 242.363 1.353 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C(C)C)C(C)C ZINC000636799529 349948059 /nfs/dbraw/zinc/94/80/59/349948059.db2.gz OLEYKSZRMOWJHV-GFCCVEGCSA-N 1 2 242.363 1.353 20 0 BDADLO C/C=C/C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163018 346273803 /nfs/dbraw/zinc/27/38/03/346273803.db2.gz CRIJPBLHKHQNDM-PBKGFPTLSA-N 1 2 236.319 1.689 20 0 BDADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163018 346273806 /nfs/dbraw/zinc/27/38/06/346273806.db2.gz CRIJPBLHKHQNDM-PBKGFPTLSA-N 1 2 236.319 1.689 20 0 BDADLO COCc1cc(C[NH2+][C@H](C)CF)no1 ZINC000641753685 362678152 /nfs/dbraw/zinc/67/81/52/362678152.db2.gz FQRPLTOPYTWVKL-SSDOTTSWSA-N 1 2 202.229 1.269 20 0 BDADLO CSCCn1cc[nH+]c1CN1CCOCC1 ZINC000603424758 349949123 /nfs/dbraw/zinc/94/91/23/349949123.db2.gz YKMBVIHBEXDHEG-UHFFFAOYSA-N 1 2 241.360 1.078 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2N)c2nccn21 ZINC000641758767 362690047 /nfs/dbraw/zinc/69/00/47/362690047.db2.gz UXFWCDHQASXNFH-BXKDBHETSA-N 1 2 243.314 1.656 20 0 BDADLO Cc1cnc(CNc2cc(CO)cc[nH+]2)s1 ZINC000641763138 362694501 /nfs/dbraw/zinc/69/45/01/362694501.db2.gz XPBOVQIDAXWCTH-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCOC1=O ZINC000154213074 346319705 /nfs/dbraw/zinc/31/97/05/346319705.db2.gz UTXPYTLKDWFERM-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCOC1=O ZINC000154213074 346319708 /nfs/dbraw/zinc/31/97/08/346319708.db2.gz UTXPYTLKDWFERM-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC000570607432 346356595 /nfs/dbraw/zinc/35/65/95/346356595.db2.gz UEPWONVSJVJELX-LSJOCFKGSA-N 1 2 239.319 1.986 20 0 BDADLO COCC1(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000636161807 346340792 /nfs/dbraw/zinc/34/07/92/346340792.db2.gz QTUTUTZYEVTDSV-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO COCC1(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000636161807 346340796 /nfs/dbraw/zinc/34/07/96/346340796.db2.gz QTUTUTZYEVTDSV-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO CC(C)(C)OCCCNC(=O)Cn1cc[nH+]c1 ZINC000618332936 346372804 /nfs/dbraw/zinc/37/28/04/346372804.db2.gz KRCWBVUDOVQPQA-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cnc(C)s1 ZINC000156445561 346369441 /nfs/dbraw/zinc/36/94/41/346369441.db2.gz RNWGDYPDKZNOEC-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnc(C)s1 ZINC000156445561 346369442 /nfs/dbraw/zinc/36/94/42/346369442.db2.gz RNWGDYPDKZNOEC-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO OCC1(C[N@@H+]2CCCC[C@H]2C(F)F)COC1 ZINC000563400146 323122987 /nfs/dbraw/zinc/12/29/87/323122987.db2.gz HFDWTDRKWIBCLH-VIFPVBQESA-N 1 2 235.274 1.115 20 0 BDADLO OCC1(C[N@H+]2CCCC[C@H]2C(F)F)COC1 ZINC000563400146 323122988 /nfs/dbraw/zinc/12/29/88/323122988.db2.gz HFDWTDRKWIBCLH-VIFPVBQESA-N 1 2 235.274 1.115 20 0 BDADLO C[C@H]([NH2+]Cc1cnc2cnccn12)C(F)F ZINC000641793266 362726353 /nfs/dbraw/zinc/72/63/53/362726353.db2.gz HQCNKTGSMWCQCR-ZETCQYMHSA-N 1 2 226.230 1.473 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCOC1 ZINC000170798463 346451428 /nfs/dbraw/zinc/45/14/28/346451428.db2.gz PXJHCUMUUDCJJF-VIFPVBQESA-N 1 2 236.271 1.455 20 0 BDADLO Cc1cccc(C[NH2+]Cc2nnc[nH]2)c1 ZINC000037919111 179095766 /nfs/dbraw/zinc/09/57/66/179095766.db2.gz CTSZDUKJABDRQI-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000332899026 346480936 /nfs/dbraw/zinc/48/09/36/346480936.db2.gz WCHQUNBKVJAXNC-GMTAPVOTSA-N 1 2 249.314 1.026 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](CC)OC)C(=O)OC ZINC000419207433 192104314 /nfs/dbraw/zinc/10/43/14/192104314.db2.gz OVQARDNLYAAIHF-PWSUYJOCSA-N 1 2 231.336 1.733 20 0 BDADLO COCc1cc(CNc2[nH+]cccc2OC)no1 ZINC000580044635 346492277 /nfs/dbraw/zinc/49/22/77/346492277.db2.gz CJZVJKMMFMNSIA-UHFFFAOYSA-N 1 2 249.270 1.837 20 0 BDADLO C[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1F ZINC000679226355 488322442 /nfs/dbraw/zinc/32/24/42/488322442.db2.gz UKMTXMNVWOYKMW-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1F ZINC000679226355 488322443 /nfs/dbraw/zinc/32/24/43/488322443.db2.gz UKMTXMNVWOYKMW-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)c(O)c1 ZINC000186806908 346537867 /nfs/dbraw/zinc/53/78/67/346537867.db2.gz QCMIUMXYQVWGLS-UHFFFAOYSA-N 1 2 245.282 1.615 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H](C)COC ZINC000187147198 346555688 /nfs/dbraw/zinc/55/56/88/346555688.db2.gz AWEKGQFSFXSWEN-SECBINFHSA-N 1 2 225.279 1.482 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H](C)COC ZINC000187147198 346555690 /nfs/dbraw/zinc/55/56/90/346555690.db2.gz AWEKGQFSFXSWEN-SECBINFHSA-N 1 2 225.279 1.482 20 0 BDADLO Cc1cc(NC(=O)NCCCCO)c(C)c[nH+]1 ZINC000580145854 346555774 /nfs/dbraw/zinc/55/57/74/346555774.db2.gz CGRUGWLMQRNTMX-UHFFFAOYSA-N 1 2 237.303 1.014 20 0 BDADLO CC(C)(C)CC(=O)NCCCn1cc[nH+]c1 ZINC000005632374 346629167 /nfs/dbraw/zinc/62/91/67/346629167.db2.gz YEWZASMIIMRIFX-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C3CC3)o2)CCCO1 ZINC000589604858 346717732 /nfs/dbraw/zinc/71/77/32/346717732.db2.gz DKRIUCRATYUCMR-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)o2)CCCO1 ZINC000589604858 346717735 /nfs/dbraw/zinc/71/77/35/346717735.db2.gz DKRIUCRATYUCMR-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2ccncc2)CCO1 ZINC000626174504 346758792 /nfs/dbraw/zinc/75/87/92/346758792.db2.gz SKQQHOZHEXQBOJ-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2ccncc2)CCO1 ZINC000626174504 346758794 /nfs/dbraw/zinc/75/87/94/346758794.db2.gz SKQQHOZHEXQBOJ-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO CC(C)OC1CC([NH2+]Cc2ccn[nH]2)C1 ZINC000380077706 365854056 /nfs/dbraw/zinc/85/40/56/365854056.db2.gz FUKVYKPRXRJWKC-UHFFFAOYSA-N 1 2 209.293 1.455 20 0 BDADLO Cc1ccc(Cn2cnc(C)c(C)c2=O)c(C)[nH+]1 ZINC000188258895 346797533 /nfs/dbraw/zinc/79/75/33/346797533.db2.gz VMUJRNOBDVSWOZ-UHFFFAOYSA-N 1 2 243.310 1.920 20 0 BDADLO Cc1cccc([C@@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000235211520 179182547 /nfs/dbraw/zinc/18/25/47/179182547.db2.gz QEUXTXDKDPUTNJ-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cccc([C@@H](C)[N@H+](C)Cc2nnnn2C)c1 ZINC000341550561 179179649 /nfs/dbraw/zinc/17/96/49/179179649.db2.gz RKHQPEWIAUXDSB-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cccc([C@@H](C)[N@@H+](C)Cc2nnnn2C)c1 ZINC000341550561 179179651 /nfs/dbraw/zinc/17/96/51/179179651.db2.gz RKHQPEWIAUXDSB-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](CO)c3ccccc32)[nH+]1 ZINC000628294521 347181341 /nfs/dbraw/zinc/18/13/41/347181341.db2.gz WEJOKEYDDUZVJJ-NSHDSACASA-N 1 2 243.310 1.814 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000684620355 488333859 /nfs/dbraw/zinc/33/38/59/488333859.db2.gz NXTOXVXZTYYWCM-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000684620355 488333862 /nfs/dbraw/zinc/33/38/62/488333862.db2.gz NXTOXVXZTYYWCM-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2c[nH]cn2)c1 ZINC000684620355 488333864 /nfs/dbraw/zinc/33/38/64/488333864.db2.gz NXTOXVXZTYYWCM-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2c[nH]cn2)c1 ZINC000684620355 488333867 /nfs/dbraw/zinc/33/38/67/488333867.db2.gz NXTOXVXZTYYWCM-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186153548 347226921 /nfs/dbraw/zinc/22/69/21/347226921.db2.gz BTKXWXIFSSFUFZ-ZDUSSCGKSA-N 1 2 243.306 1.849 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186153548 347226925 /nfs/dbraw/zinc/22/69/25/347226925.db2.gz BTKXWXIFSSFUFZ-ZDUSSCGKSA-N 1 2 243.306 1.849 20 0 BDADLO CCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000082274895 347324194 /nfs/dbraw/zinc/32/41/94/347324194.db2.gz KUBCETIKXJXUME-JTQLQIEISA-N 1 2 207.277 1.397 20 0 BDADLO CCN1CCC[N@H+](C/C=C/Cl)CC1=O ZINC000190171771 347322120 /nfs/dbraw/zinc/32/21/20/347322120.db2.gz XCOWFIRTPOXOET-HWKANZROSA-N 1 2 216.712 1.293 20 0 BDADLO CCN1CCC[N@@H+](C/C=C/Cl)CC1=O ZINC000190171771 347322123 /nfs/dbraw/zinc/32/21/23/347322123.db2.gz XCOWFIRTPOXOET-HWKANZROSA-N 1 2 216.712 1.293 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)C(F)F)cn21 ZINC000194593191 179230022 /nfs/dbraw/zinc/23/00/22/179230022.db2.gz YTINKQMPDJVUBB-UHFFFAOYSA-N 1 2 239.225 1.524 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]12C[C@@H]1CCC2 ZINC000616921656 347451298 /nfs/dbraw/zinc/45/12/98/347451298.db2.gz YSQKPJUYCPUTLJ-CABZTGNLSA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]12C[C@@H]1CCC2 ZINC000616921656 347451300 /nfs/dbraw/zinc/45/13/00/347451300.db2.gz YSQKPJUYCPUTLJ-CABZTGNLSA-N 1 2 219.288 1.558 20 0 BDADLO C[C@@H](CC(F)(F)F)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922034 347452280 /nfs/dbraw/zinc/45/22/80/347452280.db2.gz NBDSQAHEJLFUOH-ZETCQYMHSA-N 1 2 249.236 1.957 20 0 BDADLO C[C@@H](CC(F)(F)F)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922034 347452284 /nfs/dbraw/zinc/45/22/84/347452284.db2.gz NBDSQAHEJLFUOH-ZETCQYMHSA-N 1 2 249.236 1.957 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)o1 ZINC000616922805 347453666 /nfs/dbraw/zinc/45/36/66/347453666.db2.gz KDEHZXNZQOXOLY-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)o1 ZINC000616922805 347453667 /nfs/dbraw/zinc/45/36/67/347453667.db2.gz KDEHZXNZQOXOLY-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616923623 347454746 /nfs/dbraw/zinc/45/47/46/347454746.db2.gz OEXQKAMZEUBWEG-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616923623 347454750 /nfs/dbraw/zinc/45/47/50/347454750.db2.gz OEXQKAMZEUBWEG-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)n1cccc1 ZINC000616924646 347455645 /nfs/dbraw/zinc/45/56/45/347455645.db2.gz QTMJCXDQXVSBMU-NSHDSACASA-N 1 2 246.314 1.821 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)n1cccc1 ZINC000616924646 347455647 /nfs/dbraw/zinc/45/56/47/347455647.db2.gz QTMJCXDQXVSBMU-NSHDSACASA-N 1 2 246.314 1.821 20 0 BDADLO COCCC[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927618 347455708 /nfs/dbraw/zinc/45/57/08/347455708.db2.gz MHWSMOMCKQMILE-JTQLQIEISA-N 1 2 239.319 1.431 20 0 BDADLO COCCC[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927618 347455710 /nfs/dbraw/zinc/45/57/10/347455710.db2.gz MHWSMOMCKQMILE-JTQLQIEISA-N 1 2 239.319 1.431 20 0 BDADLO COCC(COC)Nc1[nH+]cccc1OC ZINC000388465337 347417971 /nfs/dbraw/zinc/41/79/71/347417971.db2.gz IQWBWUOISOYNKV-UHFFFAOYSA-N 1 2 226.276 1.164 20 0 BDADLO CCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616925584 347456929 /nfs/dbraw/zinc/45/69/29/347456929.db2.gz KXARZPCEAPXJOO-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616925584 347456933 /nfs/dbraw/zinc/45/69/33/347456933.db2.gz KXARZPCEAPXJOO-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CC[C@@H](O)CCCNc1cc(C)[nH+]cn1 ZINC000336769292 347446428 /nfs/dbraw/zinc/44/64/28/347446428.db2.gz URTGRXFBFWIPSY-SNVBAGLBSA-N 1 2 209.293 1.170 20 0 BDADLO O=C(Nc1cnoc1)c1ccc2[nH+]ccn2c1 ZINC000590672370 347488338 /nfs/dbraw/zinc/48/83/38/347488338.db2.gz IGWRAGAPVXAADT-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000616928744 347494607 /nfs/dbraw/zinc/49/46/07/347494607.db2.gz KUXXNUJEZNWRCO-MRVPVSSYSA-N 1 2 243.257 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000616928744 347494609 /nfs/dbraw/zinc/49/46/09/347494609.db2.gz KUXXNUJEZNWRCO-MRVPVSSYSA-N 1 2 243.257 1.804 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616928525 347494723 /nfs/dbraw/zinc/49/47/23/347494723.db2.gz DBOROYPNRFFDFD-IQJOONFLSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616928525 347494725 /nfs/dbraw/zinc/49/47/25/347494725.db2.gz DBOROYPNRFFDFD-IQJOONFLSA-N 1 2 237.303 1.182 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000616928745 347494923 /nfs/dbraw/zinc/49/49/23/347494923.db2.gz KUXXNUJEZNWRCO-QMMMGPOBSA-N 1 2 243.257 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000616928745 347494926 /nfs/dbraw/zinc/49/49/26/347494926.db2.gz KUXXNUJEZNWRCO-QMMMGPOBSA-N 1 2 243.257 1.804 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928855 347495970 /nfs/dbraw/zinc/49/59/70/347495970.db2.gz OTBOVNXMHJRKAX-UWVGGRQHSA-N 1 2 249.314 1.373 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928855 347495972 /nfs/dbraw/zinc/49/59/72/347495972.db2.gz OTBOVNXMHJRKAX-UWVGGRQHSA-N 1 2 249.314 1.373 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC1CC1 ZINC000616925907 347458114 /nfs/dbraw/zinc/45/81/14/347458114.db2.gz VJUYOPRIBWFSOS-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC1CC1 ZINC000616925907 347458118 /nfs/dbraw/zinc/45/81/18/347458118.db2.gz VJUYOPRIBWFSOS-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO Cc1ccccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979040 179245871 /nfs/dbraw/zinc/24/58/71/179245871.db2.gz VOROVYJSHJHTOK-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000590706114 347498200 /nfs/dbraw/zinc/49/82/00/347498200.db2.gz BYXREPCNSMKHOH-UWVGGRQHSA-N 1 2 231.336 1.325 20 0 BDADLO O=C(NCC1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636588727 347529177 /nfs/dbraw/zinc/52/91/77/347529177.db2.gz MCUZIDPLEOWECC-NSHDSACASA-N 1 2 248.330 1.297 20 0 BDADLO C[C@H](CNC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000590862081 347574237 /nfs/dbraw/zinc/57/42/37/347574237.db2.gz NSRQQQUMTQFGEF-SECBINFHSA-N 1 2 236.319 1.265 20 0 BDADLO CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590855203 347574897 /nfs/dbraw/zinc/57/48/97/347574897.db2.gz JUNDETYQAQPKKV-SNVBAGLBSA-N 1 2 222.292 1.250 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC(C)(C)C)n1C ZINC000590966608 347596241 /nfs/dbraw/zinc/59/62/41/347596241.db2.gz GVXNINOVOHERSF-UHFFFAOYSA-N 1 2 240.351 1.370 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC(C)(C)C)n1C ZINC000590966608 347596242 /nfs/dbraw/zinc/59/62/42/347596242.db2.gz GVXNINOVOHERSF-UHFFFAOYSA-N 1 2 240.351 1.370 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC(C(F)F)C2)[nH]1 ZINC000590968938 347596778 /nfs/dbraw/zinc/59/67/78/347596778.db2.gz RWFRDAAZWZILTD-UHFFFAOYSA-N 1 2 244.241 1.498 20 0 BDADLO COC1CC(CCNC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000617028164 347597622 /nfs/dbraw/zinc/59/76/22/347597622.db2.gz BNAGDOGHIHXCEU-UHFFFAOYSA-N 1 2 237.303 1.263 20 0 BDADLO CC[C@@H](C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000591376538 347650545 /nfs/dbraw/zinc/65/05/45/347650545.db2.gz IOVDSLLWKVKOSL-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H](CC(=O)NCCn1cc[nH+]c1)n1cccc1 ZINC000591432806 347655685 /nfs/dbraw/zinc/65/56/85/347655685.db2.gz UPTMRKLFWPFZFC-LBPRGKRZSA-N 1 2 246.314 1.452 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CC=CCC1 ZINC000636653765 347670211 /nfs/dbraw/zinc/67/02/11/347670211.db2.gz VEFDLPLKRMZQRH-LLVKDONJSA-N 1 2 248.330 1.907 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000592377424 347771697 /nfs/dbraw/zinc/77/16/97/347771697.db2.gz WCBQUWBMNHCPEP-VWYCJHECSA-N 1 2 243.347 1.874 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](CC)OC ZINC000419187080 192108433 /nfs/dbraw/zinc/10/84/33/192108433.db2.gz IVBQSNACPXHLGP-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO Cc1ccccc1C[NH2+][C@@]1(C)CCOC1=O ZINC000289627119 179284823 /nfs/dbraw/zinc/28/48/23/179284823.db2.gz RSFKYUIMPZWSPR-ZDUSSCGKSA-N 1 2 219.284 1.790 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000592134182 347747454 /nfs/dbraw/zinc/74/74/54/347747454.db2.gz UQBVFMDVJDTJPL-LLVKDONJSA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000592134182 347747455 /nfs/dbraw/zinc/74/74/55/347747455.db2.gz UQBVFMDVJDTJPL-LLVKDONJSA-N 1 2 243.347 1.827 20 0 BDADLO CC[N@H+](CCSC)Cc1nnc(C)n1C ZINC000592204857 347756523 /nfs/dbraw/zinc/75/65/23/347756523.db2.gz VBQZTMXOHNIMBG-UHFFFAOYSA-N 1 2 228.365 1.308 20 0 BDADLO CC[N@@H+](CCSC)Cc1nnc(C)n1C ZINC000592204857 347756525 /nfs/dbraw/zinc/75/65/25/347756525.db2.gz VBQZTMXOHNIMBG-UHFFFAOYSA-N 1 2 228.365 1.308 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccn1 ZINC000617072326 347820085 /nfs/dbraw/zinc/82/00/85/347820085.db2.gz XBEPBHPKMRJLPM-NSHDSACASA-N 1 2 244.298 1.198 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000679679073 488363253 /nfs/dbraw/zinc/36/32/53/488363253.db2.gz QIOFJMVKMVTJDM-MRVPVSSYSA-N 1 2 247.245 1.582 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000679679073 488363254 /nfs/dbraw/zinc/36/32/54/488363254.db2.gz QIOFJMVKMVTJDM-MRVPVSSYSA-N 1 2 247.245 1.582 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000592517542 347793708 /nfs/dbraw/zinc/79/37/08/347793708.db2.gz RERVCNWKDJUTPB-AXFHLTTASA-N 1 2 231.336 1.589 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593102508 347858903 /nfs/dbraw/zinc/85/89/03/347858903.db2.gz SQIUUWVRDOEORM-KPWYMIHSSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593102508 347858905 /nfs/dbraw/zinc/85/89/05/347858905.db2.gz SQIUUWVRDOEORM-KPWYMIHSSA-N 1 2 242.369 1.157 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCCc2sccc2C1 ZINC000592982826 347841897 /nfs/dbraw/zinc/84/18/97/347841897.db2.gz QNWCLMXVFHYHIM-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1cnnc1C[N@H+]1CCCc2sccc2C1 ZINC000592982826 347841901 /nfs/dbraw/zinc/84/19/01/347841901.db2.gz QNWCLMXVFHYHIM-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO CCN(CC1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493516519 347866103 /nfs/dbraw/zinc/86/61/03/347866103.db2.gz MZUCIJLDNQTSLU-AATRIKPKSA-N 1 2 219.288 1.681 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)COCC1CC1)C1CC1 ZINC000593183438 347869207 /nfs/dbraw/zinc/86/92/07/347869207.db2.gz WVPBGOYWBVWUBV-CABZTGNLSA-N 1 2 241.331 1.343 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(F)F ZINC000308585175 347883063 /nfs/dbraw/zinc/88/30/63/347883063.db2.gz IAPAAWAGPLUFBE-RQJHMYQMSA-N 1 2 209.236 1.429 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCO1 ZINC000577410248 365947999 /nfs/dbraw/zinc/94/79/99/365947999.db2.gz AFEOPOMZEQRQTA-SECBINFHSA-N 1 2 223.276 1.142 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCO1 ZINC000577410248 365948005 /nfs/dbraw/zinc/94/80/05/365948005.db2.gz AFEOPOMZEQRQTA-SECBINFHSA-N 1 2 223.276 1.142 20 0 BDADLO CC(C)=CCS(=O)(=O)Cc1c[nH+]cn1C ZINC000532077114 323171494 /nfs/dbraw/zinc/17/14/94/323171494.db2.gz WFNLUIZSGBVFSS-UHFFFAOYSA-N 1 2 228.317 1.301 20 0 BDADLO Cc1cccn2cc(CNCc3cc[nH]n3)[nH+]c12 ZINC000124001234 179355898 /nfs/dbraw/zinc/35/58/98/179355898.db2.gz KWAGNCAQMMJNKD-UHFFFAOYSA-N 1 2 241.298 1.656 20 0 BDADLO Cc1cccn2cc(C[NH2+]Cc3cc[nH]n3)nc12 ZINC000124001234 179355901 /nfs/dbraw/zinc/35/59/01/179355901.db2.gz KWAGNCAQMMJNKD-UHFFFAOYSA-N 1 2 241.298 1.656 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cnccc1C)C1CC1 ZINC000594711027 348104211 /nfs/dbraw/zinc/10/42/11/348104211.db2.gz LDUJYJOSLNAJEQ-ZDUSSCGKSA-N 1 2 248.326 1.474 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)Nc1c[nH+]cc(C)c1 ZINC000594948631 348146583 /nfs/dbraw/zinc/14/65/83/348146583.db2.gz ARGODFLKJFMHKP-ADEWGFFLSA-N 1 2 234.299 2.000 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)Nc1c[nH+]cc(C)c1 ZINC000594948633 348146592 /nfs/dbraw/zinc/14/65/92/348146592.db2.gz ARGODFLKJFMHKP-YUSALJHKSA-N 1 2 234.299 2.000 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594920140 348154479 /nfs/dbraw/zinc/15/44/79/348154479.db2.gz DENGHZZYWJWKKL-OUAUKWLOSA-N 1 2 243.347 1.874 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1nnc[nH]1 ZINC000419233277 192111978 /nfs/dbraw/zinc/11/19/78/192111978.db2.gz LIWYHPAPOTWLFC-SNVBAGLBSA-N 1 2 226.324 1.298 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1nnc[nH]1 ZINC000419233277 192111979 /nfs/dbraw/zinc/11/19/79/192111979.db2.gz LIWYHPAPOTWLFC-SNVBAGLBSA-N 1 2 226.324 1.298 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000595288664 348213230 /nfs/dbraw/zinc/21/32/30/348213230.db2.gz RBLJPUFBZREWDN-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000595288664 348213232 /nfs/dbraw/zinc/21/32/32/348213232.db2.gz RBLJPUFBZREWDN-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1ccc[nH+]c1CCNc1nncs1 ZINC000295626020 179370042 /nfs/dbraw/zinc/37/00/42/179370042.db2.gz AVHVGFCZKGSKPH-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO Cc1cccnc1CN(C)Cc1[nH+]ccn1C ZINC000065525790 179370992 /nfs/dbraw/zinc/37/09/92/179370992.db2.gz IDANIIWBNMTUCS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO COC[C@@](C)([NH2+]CC1CC=CC1)C(=O)OC ZINC000595405688 348239840 /nfs/dbraw/zinc/23/98/40/348239840.db2.gz BQHQDVFHVRHTQQ-GFCCVEGCSA-N 1 2 227.304 1.120 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H](OC)C1CCC1)C(=O)OC ZINC000595408050 348240852 /nfs/dbraw/zinc/24/08/52/348240852.db2.gz QBQFJRIIFCVOFV-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCOC[C@H]2C)c(C)c[nH+]1 ZINC000577461618 365957127 /nfs/dbraw/zinc/95/71/27/365957127.db2.gz MQQUKHNXERANQY-ZYHUDNBSSA-N 1 2 248.326 1.731 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093174333 179375289 /nfs/dbraw/zinc/37/52/89/179375289.db2.gz FGAAQIRXRKVMRD-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccnc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093174333 179375291 /nfs/dbraw/zinc/37/52/91/179375291.db2.gz FGAAQIRXRKVMRD-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCO[C@H](C)C1 ZINC000093157667 179375664 /nfs/dbraw/zinc/37/56/64/179375664.db2.gz WDRCLCHIGCJXNU-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccnc1C[N@H+]1CCO[C@H](C)C1 ZINC000093157667 179375667 /nfs/dbraw/zinc/37/56/67/179375667.db2.gz WDRCLCHIGCJXNU-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO CC1(C)CC[N@H+](Cc2cn[nH]c2)CC[S@@]1=O ZINC000595518541 348260655 /nfs/dbraw/zinc/26/06/55/348260655.db2.gz BHIHIBBPOSHTEA-INIZCTEOSA-N 1 2 241.360 1.143 20 0 BDADLO CC1(C)CC[N@@H+](Cc2cn[nH]c2)CC[S@@]1=O ZINC000595518541 348260657 /nfs/dbraw/zinc/26/06/57/348260657.db2.gz BHIHIBBPOSHTEA-INIZCTEOSA-N 1 2 241.360 1.143 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](CC(C)C)OC)C1CC1 ZINC000419245699 192114779 /nfs/dbraw/zinc/11/47/79/192114779.db2.gz AHJJUMNOXMJDLD-NWDGAFQWSA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)C[N@H+](CCO[C@H]1CC1(F)F)C1CC1 ZINC000595341494 348233538 /nfs/dbraw/zinc/23/35/38/348233538.db2.gz AUBVEGSJSHVGFF-VIFPVBQESA-N 1 2 249.257 1.048 20 0 BDADLO COC(=O)C[N@@H+](CCO[C@H]1CC1(F)F)C1CC1 ZINC000595341494 348233539 /nfs/dbraw/zinc/23/35/39/348233539.db2.gz AUBVEGSJSHVGFF-VIFPVBQESA-N 1 2 249.257 1.048 20 0 BDADLO CC(C)OC(=O)[C@H](C)N(C)Cc1cn(C)c[nH+]1 ZINC000595347074 348236127 /nfs/dbraw/zinc/23/61/27/348236127.db2.gz JSCGRKQHIHAJHJ-JTQLQIEISA-N 1 2 239.319 1.192 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCCC1CCCC1 ZINC000595530666 348273328 /nfs/dbraw/zinc/27/33/28/348273328.db2.gz ZUYZQMDTWPHNGN-ZDUSSCGKSA-N 1 2 243.347 1.470 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000595534258 348275089 /nfs/dbraw/zinc/27/50/89/348275089.db2.gz RNEQHORVESROJE-GVXVVHGQSA-N 1 2 243.347 1.326 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000595534261 348275481 /nfs/dbraw/zinc/27/54/81/348275481.db2.gz RNEQHORVESROJE-MDZLAQPJSA-N 1 2 243.347 1.326 20 0 BDADLO COC(=O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595706733 348308053 /nfs/dbraw/zinc/30/80/53/348308053.db2.gz JQNVMZPKQNWELZ-JOYOIKCWSA-N 1 2 219.284 1.477 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C(=O)OC ZINC000419325788 192122611 /nfs/dbraw/zinc/12/26/11/192122611.db2.gz BMPDKTBVWCVJBY-KXUCPTDWSA-N 1 2 223.272 1.677 20 0 BDADLO CC[N@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595675848 348310338 /nfs/dbraw/zinc/31/03/38/348310338.db2.gz DEWDPHNNKFWMHT-LBPRGKRZSA-N 1 2 237.299 1.861 20 0 BDADLO CC[N@@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595675848 348310339 /nfs/dbraw/zinc/31/03/39/348310339.db2.gz DEWDPHNNKFWMHT-LBPRGKRZSA-N 1 2 237.299 1.861 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C)cn1 ZINC000595683101 348312231 /nfs/dbraw/zinc/31/22/31/348312231.db2.gz NUPXKFZCXBSBGP-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C)cn1 ZINC000595683101 348312233 /nfs/dbraw/zinc/31/22/33/348312233.db2.gz NUPXKFZCXBSBGP-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@@H](C)OC)CC[C@@H](C)CC1 ZINC000595707462 348319710 /nfs/dbraw/zinc/31/97/10/348319710.db2.gz OHKMXIAJSWFQGE-NQBHXWOUSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595804650 348347876 /nfs/dbraw/zinc/34/78/76/348347876.db2.gz AYZXAYDOBLMXMK-UHFFFAOYSA-N 1 2 239.315 1.385 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC1CC1 ZINC000595777503 348338696 /nfs/dbraw/zinc/33/86/96/348338696.db2.gz WPGPSBYJQMJEEP-JTQLQIEISA-N 1 2 203.257 1.277 20 0 BDADLO Cc1cc(N[C@H](C)CC(C)(C)O)nc[nH+]1 ZINC000395018008 323185175 /nfs/dbraw/zinc/18/51/75/323185175.db2.gz MFAOFIPPYXBPHR-SECBINFHSA-N 1 2 209.293 1.746 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H]1C(C)C)C1CC1 ZINC000419334859 192124251 /nfs/dbraw/zinc/12/42/51/192124251.db2.gz UHOHIPNXYNJHIL-HBNTYKKESA-N 1 2 211.305 1.572 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CC1=CCSC1 ZINC000595888387 348389270 /nfs/dbraw/zinc/38/92/70/348389270.db2.gz LCOBDQKRQUMFFE-VIFPVBQESA-N 1 2 229.345 1.543 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CC1=CCSC1 ZINC000595888387 348389271 /nfs/dbraw/zinc/38/92/71/348389271.db2.gz LCOBDQKRQUMFFE-VIFPVBQESA-N 1 2 229.345 1.543 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC[C@H]2C[C@@H]2C)c1 ZINC000596078479 348439714 /nfs/dbraw/zinc/43/97/14/348439714.db2.gz QXBSGKCTABLORU-GXSJLCMTSA-N 1 2 234.299 1.865 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N(C)CC(C)C)c1 ZINC000596099705 348445521 /nfs/dbraw/zinc/44/55/21/348445521.db2.gz VSZQZIRSCFFRCP-UHFFFAOYSA-N 1 2 236.315 1.889 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627373973 348499056 /nfs/dbraw/zinc/49/90/56/348499056.db2.gz GQOIGIBOXBTWMV-UWVGGRQHSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627373973 348499059 /nfs/dbraw/zinc/49/90/59/348499059.db2.gz GQOIGIBOXBTWMV-UWVGGRQHSA-N 1 2 249.314 1.110 20 0 BDADLO CCc1noc(C[NH+]2C[C@@H](C)S[C@H](C)C2)n1 ZINC000075894277 349999474 /nfs/dbraw/zinc/99/94/74/349999474.db2.gz OOMXUZCJSAAEJO-RKDXNWHRSA-N 1 2 241.360 1.958 20 0 BDADLO C[C@H](O)CCSCCn1cc[nH+]c1 ZINC000596406208 348535484 /nfs/dbraw/zinc/53/54/84/348535484.db2.gz DXWNKECODNMCDS-VIFPVBQESA-N 1 2 200.307 1.387 20 0 BDADLO COC(=O)C[C@@H](CNc1cc(C)[nH+]cn1)C1CC1 ZINC000596491732 348560348 /nfs/dbraw/zinc/56/03/48/348560348.db2.gz KVYVTIMCZILTCM-NSHDSACASA-N 1 2 249.314 1.208 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCCC1CC1 ZINC000605875711 348635988 /nfs/dbraw/zinc/63/59/88/348635988.db2.gz CLMKEYCRMITUPI-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC1=CCCOC1 ZINC000597213887 348682425 /nfs/dbraw/zinc/68/24/25/348682425.db2.gz QJLZZZNLKGIHEP-GFCCVEGCSA-N 1 2 245.294 1.214 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NC2CC2)s1 ZINC000126093720 179646444 /nfs/dbraw/zinc/64/64/44/179646444.db2.gz VWORBKYYRSXDPJ-MRVPVSSYSA-N 1 2 239.344 1.381 20 0 BDADLO CSC1(C[N@@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000597249808 348708405 /nfs/dbraw/zinc/70/84/05/348708405.db2.gz MGPIWXSGIDGGIU-UHFFFAOYSA-N 1 2 238.360 1.449 20 0 BDADLO CSC1(C[N@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000597249808 348708407 /nfs/dbraw/zinc/70/84/07/348708407.db2.gz MGPIWXSGIDGGIU-UHFFFAOYSA-N 1 2 238.360 1.449 20 0 BDADLO Cc1nc(NCCSC(C)C)nc(N)[nH+]1 ZINC000308831679 348760841 /nfs/dbraw/zinc/76/08/41/348760841.db2.gz ULODTKCTWSUICO-UHFFFAOYSA-N 1 2 227.337 1.316 20 0 BDADLO Cc1nc(N)nc(NCCSC(C)C)[nH+]1 ZINC000308831679 348760844 /nfs/dbraw/zinc/76/08/44/348760844.db2.gz ULODTKCTWSUICO-UHFFFAOYSA-N 1 2 227.337 1.316 20 0 BDADLO CSC[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863286 348835810 /nfs/dbraw/zinc/83/58/10/348835810.db2.gz MXHMPEFSNFDVST-MRVPVSSYSA-N 1 2 227.333 1.367 20 0 BDADLO CSC[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863286 348835812 /nfs/dbraw/zinc/83/58/12/348835812.db2.gz MXHMPEFSNFDVST-MRVPVSSYSA-N 1 2 227.333 1.367 20 0 BDADLO CS[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863215 348836057 /nfs/dbraw/zinc/83/60/57/348836057.db2.gz LATXDFUXFJIRFV-ZETCQYMHSA-N 1 2 213.306 1.120 20 0 BDADLO CS[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863215 348836062 /nfs/dbraw/zinc/83/60/62/348836062.db2.gz LATXDFUXFJIRFV-ZETCQYMHSA-N 1 2 213.306 1.120 20 0 BDADLO CS[C@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597864258 348836851 /nfs/dbraw/zinc/83/68/51/348836851.db2.gz OEFLCTAHKGJXJN-MRVPVSSYSA-N 1 2 227.333 1.510 20 0 BDADLO CS[C@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597864258 348836855 /nfs/dbraw/zinc/83/68/55/348836855.db2.gz OEFLCTAHKGJXJN-MRVPVSSYSA-N 1 2 227.333 1.510 20 0 BDADLO CN(C)c1ccc(CNC(=O)[C@H]2CC23CC3)c[nH+]1 ZINC000421745316 192378493 /nfs/dbraw/zinc/37/84/93/192378493.db2.gz UZZVPIVGEIXGAX-LLVKDONJSA-N 1 2 245.326 1.564 20 0 BDADLO Cc1csc(CNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000082268208 179775536 /nfs/dbraw/zinc/77/55/36/179775536.db2.gz LXMYMNBDIZLNSX-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1cccn2cc(CNC(=O)[C@H]3C[C@H]3C)[nH+]c12 ZINC000599255136 349131815 /nfs/dbraw/zinc/13/18/15/349131815.db2.gz UYHSKXLTBYOWLI-PWSUYJOCSA-N 1 2 243.310 1.915 20 0 BDADLO C[C@H](CNC(=O)[C@@]12C[C@@H]1CCC2)Cn1cc[nH+]c1 ZINC000421777149 192385294 /nfs/dbraw/zinc/38/52/94/192385294.db2.gz XMUFRCGHSJCJKR-DYEKYZERSA-N 1 2 247.342 1.826 20 0 BDADLO Cc1cc(C[NH2+][C@](C)(CO)c2ccccc2)no1 ZINC000599442050 349178759 /nfs/dbraw/zinc/17/87/59/349178759.db2.gz PANUOEXVHDXZFO-CQSZACIVSA-N 1 2 246.310 1.980 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C12CC(C1)C2 ZINC000623518325 362940729 /nfs/dbraw/zinc/94/07/29/362940729.db2.gz NYEMPQWPKXAPGV-UHFFFAOYSA-N 1 2 219.288 1.179 20 0 BDADLO CC[C@](COC)([NH2+]C[C@@H]1C[C@@H]1C)C(=O)OC ZINC000599437271 349176125 /nfs/dbraw/zinc/17/61/25/349176125.db2.gz MSBZNXZPPKMLEH-JBLDHEPKSA-N 1 2 229.320 1.200 20 0 BDADLO CCOCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599651061 349234203 /nfs/dbraw/zinc/23/42/03/349234203.db2.gz XWGOMVCSYCFGMZ-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO COC(=O)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599514499 349204013 /nfs/dbraw/zinc/20/40/13/349204013.db2.gz XNHPABNEVCKIED-HTQZYQBOSA-N 1 2 221.247 1.383 20 0 BDADLO CCOC(=O)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512602 349204140 /nfs/dbraw/zinc/20/41/40/349204140.db2.gz LGDWJFHHBZMQCV-IUCAKERBSA-N 1 2 235.274 1.773 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514517 349204731 /nfs/dbraw/zinc/20/47/31/349204731.db2.gz XNHPABNEVCKIED-OCAPTIKFSA-N 1 2 221.247 1.383 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514517 349204735 /nfs/dbraw/zinc/20/47/35/349204735.db2.gz XNHPABNEVCKIED-OCAPTIKFSA-N 1 2 221.247 1.383 20 0 BDADLO CC[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000421916134 192407114 /nfs/dbraw/zinc/40/71/14/192407114.db2.gz NRDIOQHCSGMDRP-QWRGUYRKSA-N 1 2 235.331 1.608 20 0 BDADLO CSCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601577005 349302210 /nfs/dbraw/zinc/30/22/10/349302210.db2.gz PLBQORYFYWQUHG-UHFFFAOYSA-N 1 2 242.348 1.304 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1ccco1 ZINC000336602196 538037916 /nfs/dbraw/zinc/03/79/16/538037916.db2.gz GQCKMGVHKLNPGF-UHFFFAOYSA-N 1 2 216.240 1.586 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccccc2)nn1 ZINC000082952047 349361907 /nfs/dbraw/zinc/36/19/07/349361907.db2.gz CLESCRRCPLIQDR-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccccc2)nn1 ZINC000082952047 349361908 /nfs/dbraw/zinc/36/19/08/349361908.db2.gz CLESCRRCPLIQDR-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOC(F)(F)F ZINC000390466300 538044088 /nfs/dbraw/zinc/04/40/88/538044088.db2.gz HVBIKFCWQAFSRY-ZCFIWIBFSA-N 1 2 237.225 1.905 20 0 BDADLO Cn1nccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603786547 350026434 /nfs/dbraw/zinc/02/64/34/350026434.db2.gz YGDLIQCRIFCNMJ-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813765 350037820 /nfs/dbraw/zinc/03/78/20/350037820.db2.gz HWNRXAAQDRARPQ-SNVBAGLBSA-N 1 2 249.314 1.082 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618509842 350041591 /nfs/dbraw/zinc/04/15/91/350041591.db2.gz XYQBBVUDEIFWPJ-MDZLAQPJSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618509842 350041595 /nfs/dbraw/zinc/04/15/95/350041595.db2.gz XYQBBVUDEIFWPJ-MDZLAQPJSA-N 1 2 247.342 1.895 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCOc2ccccc2C1 ZINC000603869783 350046593 /nfs/dbraw/zinc/04/65/93/350046593.db2.gz LZFYGTFYZQQDIQ-GFCCVEGCSA-N 1 2 249.310 1.833 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCOc2ccccc2C1 ZINC000603869783 350046597 /nfs/dbraw/zinc/04/65/97/350046597.db2.gz LZFYGTFYZQQDIQ-GFCCVEGCSA-N 1 2 249.310 1.833 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)CF)[nH+]1 ZINC000308835850 180022146 /nfs/dbraw/zinc/02/21/46/180022146.db2.gz IBSLKPUMZYCJQU-LURJTMIESA-N 1 2 213.260 1.016 20 0 BDADLO Cc1nc(N[C@@H](C)CF)nc(N(C)C)[nH+]1 ZINC000308835850 180022147 /nfs/dbraw/zinc/02/21/47/180022147.db2.gz IBSLKPUMZYCJQU-LURJTMIESA-N 1 2 213.260 1.016 20 0 BDADLO O=C(c1ccccc1O)N1CC(n2cc[nH+]c2)C1 ZINC000604268402 350096264 /nfs/dbraw/zinc/09/62/64/350096264.db2.gz PFAJPSHYDVGKLP-UHFFFAOYSA-N 1 2 243.266 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000330263197 180035058 /nfs/dbraw/zinc/03/50/58/180035058.db2.gz WEVULTYWBWJNSO-SKDRFNHKSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@]3(CCOC3)C2)no1 ZINC000330263197 180035062 /nfs/dbraw/zinc/03/50/62/180035062.db2.gz WEVULTYWBWJNSO-SKDRFNHKSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cs1 ZINC000036915645 180037310 /nfs/dbraw/zinc/03/73/10/180037310.db2.gz UKLHOBRSMSRJLR-SFYZADRCSA-N 1 2 241.360 1.579 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C3CCC3)CCO2)no1 ZINC000372591642 180045014 /nfs/dbraw/zinc/04/50/14/180045014.db2.gz HVQURBHSZMBWCB-JTQLQIEISA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C3CCC3)CCO2)no1 ZINC000372591642 180045016 /nfs/dbraw/zinc/04/50/16/180045016.db2.gz HVQURBHSZMBWCB-JTQLQIEISA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](C)O)no1 ZINC000369388683 180054317 /nfs/dbraw/zinc/05/43/17/180054317.db2.gz HGWQPGWHRGZMPV-WCBMZHEXSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](C)O)no1 ZINC000369388683 180054318 /nfs/dbraw/zinc/05/43/18/180054318.db2.gz HGWQPGWHRGZMPV-WCBMZHEXSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc(N(C)[C@H]2CCOC2)c2c([nH+]1)CCCC2 ZINC000272920600 180067829 /nfs/dbraw/zinc/06/78/29/180067829.db2.gz SUQGNHMOIYRELZ-NSHDSACASA-N 1 2 247.342 1.889 20 0 BDADLO Cc1nc(N(C)C2CC(O)C2)c2c([nH+]1)CCCC2 ZINC000353283893 180068000 /nfs/dbraw/zinc/06/80/00/180068000.db2.gz XVAPDNIYSKMGNI-UHFFFAOYSA-N 1 2 247.342 1.623 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000359729799 180068595 /nfs/dbraw/zinc/06/85/95/180068595.db2.gz OARHBHDLAOCMPK-NOZJJQNGSA-N 1 2 247.342 1.481 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H]2O)c2c([nH+]1)CCCC2 ZINC000302046634 180070589 /nfs/dbraw/zinc/07/05/89/180070589.db2.gz LEGZYDCCJUFBCY-STQMWFEESA-N 1 2 247.342 1.989 20 0 BDADLO CSC1(CNc2nc(C)[nH+]c(N)n2)CCC1 ZINC000304447068 350153920 /nfs/dbraw/zinc/15/39/20/350153920.db2.gz JDFYDTWWFFEUEB-UHFFFAOYSA-N 1 2 239.348 1.460 20 0 BDADLO CSC1(CNc2nc(N)nc(C)[nH+]2)CCC1 ZINC000304447068 350153921 /nfs/dbraw/zinc/15/39/21/350153921.db2.gz JDFYDTWWFFEUEB-UHFFFAOYSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1[nH+]c2ccccn2c1Cn1ccsc1=O ZINC000361368984 180107814 /nfs/dbraw/zinc/10/78/14/180107814.db2.gz VXDNAPYPALMQTM-UHFFFAOYSA-N 1 2 245.307 1.914 20 0 BDADLO CCC[C@H]([NH2+]CC(C)(C)OC)C(=O)OCC ZINC000133061745 191036678 /nfs/dbraw/zinc/03/66/78/191036678.db2.gz HWIRDGBRIYCXGL-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO Cc1nc(NCC[C@H](C)[S@](C)=O)cc[nH+]1 ZINC000133126766 191037199 /nfs/dbraw/zinc/03/71/99/191037199.db2.gz RGEREZWMKWIIIT-VXJOIVPMSA-N 1 2 227.333 1.354 20 0 BDADLO CSCC[C@@H](C)N(C)c1nc(C)[nH+]c(N)n1 ZINC000304471176 350160446 /nfs/dbraw/zinc/16/04/46/350160446.db2.gz NIOXBVIDAONUQM-SSDOTTSWSA-N 1 2 241.364 1.340 20 0 BDADLO CSCC[C@@H](C)N(C)c1nc(N)nc(C)[nH+]1 ZINC000304471176 350160448 /nfs/dbraw/zinc/16/04/48/350160448.db2.gz NIOXBVIDAONUQM-SSDOTTSWSA-N 1 2 241.364 1.340 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000267352646 180112493 /nfs/dbraw/zinc/11/24/93/180112493.db2.gz GFEUZZPWGFNXLE-NSHDSACASA-N 1 2 218.304 1.511 20 0 BDADLO Cc1nc2n(n1)CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000267352646 180112495 /nfs/dbraw/zinc/11/24/95/180112495.db2.gz GFEUZZPWGFNXLE-NSHDSACASA-N 1 2 218.304 1.511 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccncc2F)c[nH+]1 ZINC000336334962 180132523 /nfs/dbraw/zinc/13/25/23/180132523.db2.gz DESOWZVODPVQSQ-ZETCQYMHSA-N 1 2 248.261 1.743 20 0 BDADLO Cc1ncc(C[N@H+](C)CC(=O)NC2CC2)s1 ZINC000052101036 180138639 /nfs/dbraw/zinc/13/86/39/180138639.db2.gz JNJPLNGQDHLPAQ-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC(=O)NC2CC2)s1 ZINC000052101036 180138640 /nfs/dbraw/zinc/13/86/40/180138640.db2.gz JNJPLNGQDHLPAQ-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncc(C[N@H+]2CC(C)(C)OC[C@@H]2C)cn1 ZINC000352404670 180139513 /nfs/dbraw/zinc/13/95/13/180139513.db2.gz DBOIFBQXPBZKHF-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cn1 ZINC000352404670 180139515 /nfs/dbraw/zinc/13/95/15/180139515.db2.gz DBOIFBQXPBZKHF-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnccn2)s1 ZINC000177235580 180141129 /nfs/dbraw/zinc/14/11/29/180141129.db2.gz FRNXGTDBXGBTSE-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnccn2)s1 ZINC000177235580 180141132 /nfs/dbraw/zinc/14/11/32/180141132.db2.gz FRNXGTDBXGBTSE-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccsc1 ZINC000346157071 180118799 /nfs/dbraw/zinc/11/87/99/180118799.db2.gz XMFXLTGROFMMIK-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccsc1 ZINC000346157071 180118804 /nfs/dbraw/zinc/11/88/04/180118804.db2.gz XMFXLTGROFMMIK-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C[C@@H]1F ZINC000335653199 180119714 /nfs/dbraw/zinc/11/97/14/180119714.db2.gz XKAJWTIEXVKLGN-WPRPVWTQSA-N 1 2 211.240 1.082 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(O)c1 ZINC000336260222 180119779 /nfs/dbraw/zinc/11/97/79/180119779.db2.gz YVKGLFXHMUOTBM-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO Cc1nccc(C[NH2+][C@H](CCO)c2ccco2)n1 ZINC000339361825 180191003 /nfs/dbraw/zinc/19/10/03/180191003.db2.gz PGHCPWNSOZGAFQ-GFCCVEGCSA-N 1 2 247.298 1.591 20 0 BDADLO CC(=O)N1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428460943 191076669 /nfs/dbraw/zinc/07/66/69/191076669.db2.gz LJXUHLMPZKFFAW-NSHDSACASA-N 1 2 248.330 1.010 20 0 BDADLO Cc1nc(N2CC[C@H](n3cccn3)C2)cc[nH+]1 ZINC000292191092 180194231 /nfs/dbraw/zinc/19/42/31/180194231.db2.gz BRLWKJLZYXXBBD-NSHDSACASA-N 1 2 229.287 1.433 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]2CCO)cc[nH+]1 ZINC000275069813 180202329 /nfs/dbraw/zinc/20/23/29/180202329.db2.gz ZDLRVRIGMSSNIV-GHMZBOCLSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H](C)c2ncn(C)n2)cc[nH+]1 ZINC000275392697 180203520 /nfs/dbraw/zinc/20/35/20/180203520.db2.gz AWWGDYGTDBKGNP-ZETCQYMHSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1nc(N[C@@H]2CCCc3c[nH]nc32)cc[nH+]1 ZINC000268878269 180203583 /nfs/dbraw/zinc/20/35/83/180203583.db2.gz VUWBTDXZODEQFZ-SNVBAGLBSA-N 1 2 229.287 1.998 20 0 BDADLO Cc1nc(N[C@H](CO)CC(F)(F)F)cc[nH+]1 ZINC000309888950 180204660 /nfs/dbraw/zinc/20/46/60/180204660.db2.gz ZLWSSIJKUBBAGS-ZETCQYMHSA-N 1 2 235.209 1.510 20 0 BDADLO CCC1(CO)CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000428302394 191079013 /nfs/dbraw/zinc/07/90/13/191079013.db2.gz QQHKFNKRIQDIMP-UHFFFAOYSA-N 1 2 238.335 1.098 20 0 BDADLO Cc1nc(N[C@@H]2CSC[C@@H]2C)cc[nH+]1 ZINC000306592885 180206254 /nfs/dbraw/zinc/20/62/54/180206254.db2.gz IMMOLKRRBGJWBV-IONNQARKSA-N 1 2 209.318 1.948 20 0 BDADLO Cc1nc(C)c(CCNc2cc[nH+]c(C)n2)s1 ZINC000361024868 180180999 /nfs/dbraw/zinc/18/09/99/180180999.db2.gz FOIVSCQGRQRFBB-UHFFFAOYSA-N 1 2 248.355 1.935 20 0 BDADLO Cc1nc(CCNc2cc[nH+]c(C)n2)c(C)o1 ZINC000329140289 180181031 /nfs/dbraw/zinc/18/10/31/180181031.db2.gz SWBWNPJUQLBPPM-UHFFFAOYSA-N 1 2 232.287 1.466 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)n1 ZINC000353095313 180186019 /nfs/dbraw/zinc/18/60/19/180186019.db2.gz LNYFABKJVGJGCG-DCAQKATOSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)n1 ZINC000353095313 180186021 /nfs/dbraw/zinc/18/60/21/180186021.db2.gz LNYFABKJVGJGCG-DCAQKATOSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ncccc1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352723169 180215974 /nfs/dbraw/zinc/21/59/74/180215974.db2.gz HRSDUQHHDUEVMS-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO O=C(CC1CCOCC1)N1CC(n2cc[nH+]c2)C1 ZINC000604978123 350230885 /nfs/dbraw/zinc/23/08/85/350230885.db2.gz BZFGOZHNTXJGEB-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO Cc1cc(N2CCCOC(C)(C)C2)nc[nH+]1 ZINC000604995303 350232790 /nfs/dbraw/zinc/23/27/90/350232790.db2.gz RVTFFXWITCRZEO-UHFFFAOYSA-N 1 2 221.304 1.790 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nc1C ZINC000318631240 350252950 /nfs/dbraw/zinc/25/29/50/350252950.db2.gz MZVFUMHLWYBLPV-SNVBAGLBSA-N 1 2 244.298 1.913 20 0 BDADLO Cc1ncsc1CCOCc1[nH]cc[nH+]1 ZINC000272084330 180311206 /nfs/dbraw/zinc/31/12/06/180311206.db2.gz TXNQFLPBQKQNDL-UHFFFAOYSA-N 1 2 223.301 1.934 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000617205094 350349055 /nfs/dbraw/zinc/34/90/55/350349055.db2.gz VUUFBEHXBRWFJK-MJVIPROJSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@]12C[C@@H]1CCC2 ZINC000617207014 350356043 /nfs/dbraw/zinc/35/60/43/350356043.db2.gz OIOBKNDHIWUFMW-JQWIXIFHSA-N 1 2 219.288 1.332 20 0 BDADLO Cc1nocc1CNc1[nH+]cnc2c1cnn2C ZINC000397838715 350359703 /nfs/dbraw/zinc/35/97/03/350359703.db2.gz AVTPJPXGICWZEX-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO C[C@@H](O)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580281 350370644 /nfs/dbraw/zinc/37/06/44/350370644.db2.gz HVQQKJADNLIGJC-SECBINFHSA-N 1 2 248.286 1.227 20 0 BDADLO COC[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581022 350374005 /nfs/dbraw/zinc/37/40/05/350374005.db2.gz NQAJUFXKPBLZCR-VIFPVBQESA-N 1 2 248.286 1.491 20 0 BDADLO CSCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563960730 323332167 /nfs/dbraw/zinc/33/21/67/323332167.db2.gz RSAOGCTUBATBIP-JTQLQIEISA-N 1 2 241.360 1.704 20 0 BDADLO CSCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563960731 323332583 /nfs/dbraw/zinc/33/25/83/323332583.db2.gz RSAOGCTUBATBIP-SNVBAGLBSA-N 1 2 241.360 1.704 20 0 BDADLO CCc1cc(NC2CCC(C(N)=O)CC2)nc[nH+]1 ZINC000040765214 350395632 /nfs/dbraw/zinc/39/56/32/350395632.db2.gz NIOBKYMTLRWPHR-UHFFFAOYSA-N 1 2 248.330 1.495 20 0 BDADLO CCc1nc(C[NH+]2CCC(C)(OC)CC2)no1 ZINC000336669572 350433336 /nfs/dbraw/zinc/43/33/36/350433336.db2.gz ANSHEDNYDIXROG-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000041050993 350409227 /nfs/dbraw/zinc/40/92/27/350409227.db2.gz RXAGRQOULABVDZ-UHFFFAOYSA-N 1 2 217.276 1.348 20 0 BDADLO Cc1nccc(N(C)CCCn2cc[nH+]c2)n1 ZINC000133044936 191104231 /nfs/dbraw/zinc/10/42/31/191104231.db2.gz MFSORJBDXRHUMM-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@H](F)C3)cc12 ZINC000336222988 180362622 /nfs/dbraw/zinc/36/26/22/180362622.db2.gz ZIJPQPMTTVGRQW-NSHDSACASA-N 1 2 248.305 1.821 20 0 BDADLO Cc1nn(C)c2ncc(C[N@H+]3CC[C@H](F)C3)cc12 ZINC000336222988 180362624 /nfs/dbraw/zinc/36/26/24/180362624.db2.gz ZIJPQPMTTVGRQW-NSHDSACASA-N 1 2 248.305 1.821 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000362336209 180383598 /nfs/dbraw/zinc/38/35/98/180383598.db2.gz NMCBBOOJTYHIII-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000362336209 180383601 /nfs/dbraw/zinc/38/36/01/180383601.db2.gz NMCBBOOJTYHIII-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)C(=O)OC(C)(C)C ZINC000384762940 350514487 /nfs/dbraw/zinc/51/44/87/350514487.db2.gz OGVZNVBIFHGYHY-ZNSHCXBVSA-N 1 2 243.347 1.872 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000163004957 350494033 /nfs/dbraw/zinc/49/40/33/350494033.db2.gz WNLBWMMINAYFCY-NHCYSSNCSA-N 1 2 249.310 1.702 20 0 BDADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368341123 191112285 /nfs/dbraw/zinc/11/22/85/191112285.db2.gz WYGPBQRBKARWKI-UONOGXRCSA-N 1 2 247.294 1.585 20 0 BDADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368341123 191112288 /nfs/dbraw/zinc/11/22/88/191112288.db2.gz WYGPBQRBKARWKI-UONOGXRCSA-N 1 2 247.294 1.585 20 0 BDADLO Cc1nnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000287747366 180426057 /nfs/dbraw/zinc/42/60/57/180426057.db2.gz GPFYYOFKTMGMME-MWLCHTKSSA-N 1 2 247.302 1.662 20 0 BDADLO CC(C)(O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606900889 350626770 /nfs/dbraw/zinc/62/67/70/350626770.db2.gz QRHRFOAMMGLPOG-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO CC(C)(O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606900889 350626773 /nfs/dbraw/zinc/62/67/73/350626773.db2.gz QRHRFOAMMGLPOG-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO COCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902101 350626984 /nfs/dbraw/zinc/62/69/84/350626984.db2.gz COUVSSZMOMFRSW-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO COCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606902101 350626988 /nfs/dbraw/zinc/62/69/88/350626988.db2.gz COUVSSZMOMFRSW-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO Cc1noc(C)c1C(=O)NCc1[nH]c[nH+]c1C ZINC000266966668 180463786 /nfs/dbraw/zinc/46/37/86/180463786.db2.gz JYAGLVOQHHHCDV-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000177237177 365987706 /nfs/dbraw/zinc/98/77/06/365987706.db2.gz KYDJOUWWAJNOOL-GFCCVEGCSA-N 1 2 249.358 1.943 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000177237177 365987710 /nfs/dbraw/zinc/98/77/10/365987710.db2.gz KYDJOUWWAJNOOL-GFCCVEGCSA-N 1 2 249.358 1.943 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cccc(F)c2)[nH]1 ZINC000295599179 350679331 /nfs/dbraw/zinc/67/93/31/350679331.db2.gz CSVHMBJBVJFAAV-UHFFFAOYSA-N 1 2 234.278 1.796 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccncc1 ZINC000571056843 350727591 /nfs/dbraw/zinc/72/75/91/350727591.db2.gz FCBKTXBQMZIHJE-SECBINFHSA-N 1 2 230.271 1.044 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccncc1 ZINC000571056843 350727593 /nfs/dbraw/zinc/72/75/93/350727593.db2.gz FCBKTXBQMZIHJE-SECBINFHSA-N 1 2 230.271 1.044 20 0 BDADLO COCCC1(C)C[NH+](Cc2nc(C)c[nH]2)C1 ZINC000628308177 350739914 /nfs/dbraw/zinc/73/99/14/350739914.db2.gz ZDPGHBTUMKRPQZ-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)[C@H](C)CO ZINC000339631507 350770271 /nfs/dbraw/zinc/77/02/71/350770271.db2.gz KMHWUTFQXRBPFW-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)[C@H](C)CO ZINC000339631507 350770275 /nfs/dbraw/zinc/77/02/75/350770275.db2.gz KMHWUTFQXRBPFW-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCCCO3)ccn12 ZINC000571223610 350869273 /nfs/dbraw/zinc/86/92/73/350869273.db2.gz GYUTUGNOLVZSKR-UHFFFAOYSA-N 1 2 245.282 1.810 20 0 BDADLO Cn1nc(C2CC2)nc1C[NH+]1C2CCC1CC2 ZINC000577606738 366014838 /nfs/dbraw/zinc/01/48/38/366014838.db2.gz JHFDRZFXBGZWHH-UHFFFAOYSA-N 1 2 232.331 1.819 20 0 BDADLO OCCC[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000382657834 350941506 /nfs/dbraw/zinc/94/15/06/350941506.db2.gz GKNKSMHSIDPUFP-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCCC[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000382657834 350941511 /nfs/dbraw/zinc/94/15/11/350941511.db2.gz GKNKSMHSIDPUFP-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@H](C1CC1)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607142736 350943142 /nfs/dbraw/zinc/94/31/42/350943142.db2.gz BABGLPPFNMEYBY-JTQLQIEISA-N 1 2 243.314 1.897 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000607147519 350947949 /nfs/dbraw/zinc/94/79/49/350947949.db2.gz SQRXYCMTIDZSQV-WDEREUQCSA-N 1 2 243.314 1.897 20 0 BDADLO Cc1nc(C[NH2+][C@H](CO)C2CCCC2)no1 ZINC000309694986 191128129 /nfs/dbraw/zinc/12/81/29/191128129.db2.gz KTBNJJFSLNMXEA-SNVBAGLBSA-N 1 2 225.292 1.019 20 0 BDADLO COc1ncc(C[NH2+]Cc2cnc(C)o2)s1 ZINC000398071953 363000111 /nfs/dbraw/zinc/00/01/11/363000111.db2.gz OBIUCRPBDXUUJO-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO Cc1ccc(C[NH2+]Cc2c[nH]nn2)c(C)c1 ZINC000398356306 351046558 /nfs/dbraw/zinc/04/65/58/351046558.db2.gz VMSMGHJLWFEQKR-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn[nH]n2)c(C)c1 ZINC000398356306 351046560 /nfs/dbraw/zinc/04/65/60/351046560.db2.gz VMSMGHJLWFEQKR-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cncc(C[NH+]2CCC(=O)CC2)c1 ZINC000228692575 351072670 /nfs/dbraw/zinc/07/26/70/351072670.db2.gz FLOLKHUZJHWMTP-UHFFFAOYSA-N 1 2 204.273 1.555 20 0 BDADLO COCc1csc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000623578394 363011550 /nfs/dbraw/zinc/01/15/50/363011550.db2.gz GJPQQMRHKYICEF-UHFFFAOYSA-N 1 2 238.316 1.302 20 0 BDADLO COCc1csc(C[NH2+]Cc2c[nH]nn2)c1 ZINC000623578394 363011553 /nfs/dbraw/zinc/01/15/53/363011553.db2.gz GJPQQMRHKYICEF-UHFFFAOYSA-N 1 2 238.316 1.302 20 0 BDADLO COCc1csc(C[NH2+]Cc2cn[nH]n2)c1 ZINC000623578394 363011559 /nfs/dbraw/zinc/01/15/59/363011559.db2.gz GJPQQMRHKYICEF-UHFFFAOYSA-N 1 2 238.316 1.302 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)OC3(CCC3)C2)[nH+]1 ZINC000628323103 351212504 /nfs/dbraw/zinc/21/25/04/351212504.db2.gz ZXIKZILLPGJTBN-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO COC(=O)c1nccc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000139884616 351292139 /nfs/dbraw/zinc/29/21/39/351292139.db2.gz WWSUVNAWJVDJLN-SSDOTTSWSA-N 1 2 247.258 1.159 20 0 BDADLO CC(C)c1cc(C(=O)NCCn2cc[nH+]c2)on1 ZINC000072646803 351336725 /nfs/dbraw/zinc/33/67/25/351336725.db2.gz KNSCZUUYWYFUAX-UHFFFAOYSA-N 1 2 248.286 1.425 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@@H]1CCOC1=O ZINC000271020803 351394580 /nfs/dbraw/zinc/39/45/80/351394580.db2.gz NXDXEPFANLTVOM-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@@H]1CCOC1=O ZINC000271020803 351394583 /nfs/dbraw/zinc/39/45/83/351394583.db2.gz NXDXEPFANLTVOM-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO CC[N@H+](Cc1ccn(C)n1)Cc1ccncc1 ZINC000272098653 351454371 /nfs/dbraw/zinc/45/43/71/351454371.db2.gz ZERNRDYKUMDLQM-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1ccn(C)n1)Cc1ccncc1 ZINC000272098653 351454376 /nfs/dbraw/zinc/45/43/76/351454376.db2.gz ZERNRDYKUMDLQM-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CCc1cc(N[C@H](C)C(C)(C)O)nc[nH+]1 ZINC000389977688 351414167 /nfs/dbraw/zinc/41/41/67/351414167.db2.gz GPEGDZUELKZQCA-MRVPVSSYSA-N 1 2 209.293 1.610 20 0 BDADLO CN(C)c1nccc(C[NH2+]Cc2ccns2)n1 ZINC000623597516 363032626 /nfs/dbraw/zinc/03/26/26/363032626.db2.gz OZSHZEFWXKULCM-UHFFFAOYSA-N 1 2 249.343 1.289 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000090451979 363062370 /nfs/dbraw/zinc/06/23/70/363062370.db2.gz UXXMHALTJWFHHA-KXUCPTDWSA-N 1 2 229.320 1.484 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1CN(C(C)=O)C1 ZINC000276414728 351620917 /nfs/dbraw/zinc/62/09/17/351620917.db2.gz HOMGUOYYXLBURX-UHFFFAOYSA-N 1 2 247.298 1.061 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)[C@H](C)O1 ZINC000637828746 351676937 /nfs/dbraw/zinc/67/69/37/351676937.db2.gz GQUVYKDGACCHSX-WEDXCCLWSA-N 1 2 235.287 1.246 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N(C)C1CCCC1 ZINC000577768526 366059077 /nfs/dbraw/zinc/05/90/77/366059077.db2.gz GIPKPNHTZSEIOJ-UHFFFAOYSA-N 1 2 236.319 1.836 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N(C)C1CCCC1 ZINC000577768526 366059080 /nfs/dbraw/zinc/05/90/80/366059080.db2.gz GIPKPNHTZSEIOJ-UHFFFAOYSA-N 1 2 236.319 1.836 20 0 BDADLO CC(C)N(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000277758311 351725014 /nfs/dbraw/zinc/72/50/14/351725014.db2.gz JZWHDIQBLUMHOO-UHFFFAOYSA-N 1 2 221.304 1.561 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCCC3)CCO1 ZINC000637883548 351747641 /nfs/dbraw/zinc/74/76/41/351747641.db2.gz OZPRYSMNBZVTOY-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCCC3)CCO1 ZINC000637883548 351747644 /nfs/dbraw/zinc/74/76/44/351747644.db2.gz OZPRYSMNBZVTOY-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)sn1 ZINC000637884415 351749943 /nfs/dbraw/zinc/74/99/43/351749943.db2.gz XGLMAOOGNSLNDB-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)sn1 ZINC000637884415 351749947 /nfs/dbraw/zinc/74/99/47/351749947.db2.gz XGLMAOOGNSLNDB-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO CCN(C(=O)Nc1cc(C)[nH+]cc1C)C1COC1 ZINC000577827848 366072848 /nfs/dbraw/zinc/07/28/48/366072848.db2.gz LBPDTHFYEZTRTH-UHFFFAOYSA-N 1 2 249.314 1.373 20 0 BDADLO CC(C)C[N@H+](CC(N)=O)Cc1ccns1 ZINC000637926804 351801848 /nfs/dbraw/zinc/80/18/48/351801848.db2.gz GBDHGHWZGGVEIF-UHFFFAOYSA-N 1 2 227.333 1.086 20 0 BDADLO CC(C)C[N@@H+](CC(N)=O)Cc1ccns1 ZINC000637926804 351801850 /nfs/dbraw/zinc/80/18/50/351801850.db2.gz GBDHGHWZGGVEIF-UHFFFAOYSA-N 1 2 227.333 1.086 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cnc(N)nc1N ZINC000637901845 351771361 /nfs/dbraw/zinc/77/13/61/351771361.db2.gz HXACPKPBWMOLKZ-QMMMGPOBSA-N 1 2 247.302 1.088 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cnc(N)nc1N ZINC000637901845 351771364 /nfs/dbraw/zinc/77/13/64/351771364.db2.gz HXACPKPBWMOLKZ-QMMMGPOBSA-N 1 2 247.302 1.088 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccccc2Cl)nn1 ZINC000054858507 180650888 /nfs/dbraw/zinc/65/08/88/180650888.db2.gz BFAUYPSGOSRWRQ-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO CN(Cc1cc2c(c[nH+]1)OCCO2)CC(F)F ZINC000637974721 351850919 /nfs/dbraw/zinc/85/09/19/351850919.db2.gz YNSWUCRAOVWFTI-UHFFFAOYSA-N 1 2 244.241 1.550 20 0 BDADLO CC[N@H+](Cc1c(C)noc1C)[C@H]1CCNC1=O ZINC000282403693 351931870 /nfs/dbraw/zinc/93/18/70/351931870.db2.gz PTBKCIHKDLFOJW-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC[N@@H+](Cc1c(C)noc1C)[C@H]1CCNC1=O ZINC000282403693 351931874 /nfs/dbraw/zinc/93/18/74/351931874.db2.gz PTBKCIHKDLFOJW-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO C[N@H+](CCN1CCCC1=O)Cc1ccns1 ZINC000638064205 351936153 /nfs/dbraw/zinc/93/61/53/351936153.db2.gz KKNSUWPGERDCFF-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C[N@@H+](CCN1CCCC1=O)Cc1ccns1 ZINC000638064205 351936156 /nfs/dbraw/zinc/93/61/56/351936156.db2.gz KKNSUWPGERDCFF-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO Cc1cc(CN(C)c2cc(C)[nH+]cn2)no1 ZINC000301243212 187544828 /nfs/dbraw/zinc/54/48/28/187544828.db2.gz NAGJTEJQMBRGMT-UHFFFAOYSA-N 1 2 218.260 1.718 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)CC2)c(F)c1 ZINC000638031568 351913473 /nfs/dbraw/zinc/91/34/73/351913473.db2.gz PJBSXOALKNHNTN-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)CC2)c(F)c1 ZINC000638031568 351913474 /nfs/dbraw/zinc/91/34/74/351913474.db2.gz PJBSXOALKNHNTN-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1Cc1cccc(F)c1 ZINC000282920070 351950628 /nfs/dbraw/zinc/95/06/28/351950628.db2.gz XXOVSTPNWBOAHL-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1Cc1cccc(F)c1 ZINC000282920070 351950632 /nfs/dbraw/zinc/95/06/32/351950632.db2.gz XXOVSTPNWBOAHL-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@](C)(C[N@@H+]1CCn2nc(C)nc2C1)OC ZINC000638091513 351969318 /nfs/dbraw/zinc/96/93/18/351969318.db2.gz WVHYZXPEHJFFPR-GFCCVEGCSA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@](C)(C[N@H+]1CCn2nc(C)nc2C1)OC ZINC000638091513 351969319 /nfs/dbraw/zinc/96/93/19/351969319.db2.gz WVHYZXPEHJFFPR-GFCCVEGCSA-N 1 2 238.335 1.217 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638098160 351979891 /nfs/dbraw/zinc/97/98/91/351979891.db2.gz ZVMYHMPEAXRXIN-VIFPVBQESA-N 1 2 212.297 1.052 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638098160 351979894 /nfs/dbraw/zinc/97/98/94/351979894.db2.gz ZVMYHMPEAXRXIN-VIFPVBQESA-N 1 2 212.297 1.052 20 0 BDADLO CC[N@H+](Cc1cnn[nH]1)Cc1ccccc1 ZINC000284345010 351995769 /nfs/dbraw/zinc/99/57/69/351995769.db2.gz RLIBGINGOVHIDJ-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO CC[N@@H+](Cc1cnn[nH]1)Cc1ccccc1 ZINC000284345010 351995772 /nfs/dbraw/zinc/99/57/72/351995772.db2.gz RLIBGINGOVHIDJ-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO CC[N@H+](Cc1c[nH]nn1)Cc1ccccc1 ZINC000284345010 351995776 /nfs/dbraw/zinc/99/57/76/351995776.db2.gz RLIBGINGOVHIDJ-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO CC[N@@H+](Cc1c[nH]nn1)Cc1ccccc1 ZINC000284345010 351995778 /nfs/dbraw/zinc/99/57/78/351995778.db2.gz RLIBGINGOVHIDJ-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373568226 187561981 /nfs/dbraw/zinc/56/19/81/187561981.db2.gz MDYPNXKROXWEDQ-CMPLNLGQSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)sn1 ZINC000638181855 352049326 /nfs/dbraw/zinc/04/93/26/352049326.db2.gz YPFWUWKZNYQNEN-ZJUUUORDSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)sn1 ZINC000638181855 352049328 /nfs/dbraw/zinc/04/93/28/352049328.db2.gz YPFWUWKZNYQNEN-ZJUUUORDSA-N 1 2 242.344 1.033 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000287045784 352111494 /nfs/dbraw/zinc/11/14/94/352111494.db2.gz JAXYTNNJZWFATK-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2cncs2)[C@H](C)C1 ZINC000288314310 352144953 /nfs/dbraw/zinc/14/49/53/352144953.db2.gz HQWZYAZQGURLPX-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2cncs2)[C@H](C)C1 ZINC000288314310 352144955 /nfs/dbraw/zinc/14/49/55/352144955.db2.gz HQWZYAZQGURLPX-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO Cc1nc([C@H](C)N2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000411143777 191162657 /nfs/dbraw/zinc/16/26/57/191162657.db2.gz NIUWXGWVUDQJKD-JTQLQIEISA-N 1 2 237.351 1.200 20 0 BDADLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C1CC1 ZINC000291213695 352267022 /nfs/dbraw/zinc/26/70/22/352267022.db2.gz VTFOGBMWJWJYEU-CYBMUJFWSA-N 1 2 247.342 1.989 20 0 BDADLO Cn1cc(C[N@@H+]2CCCOCC2)c(C(F)F)n1 ZINC000336032301 538102582 /nfs/dbraw/zinc/10/25/82/538102582.db2.gz NRCUXIBVQMITGP-UHFFFAOYSA-N 1 2 245.273 1.580 20 0 BDADLO Cn1cc(C[N@H+]2CCCOCC2)c(C(F)F)n1 ZINC000336032301 538102584 /nfs/dbraw/zinc/10/25/84/538102584.db2.gz NRCUXIBVQMITGP-UHFFFAOYSA-N 1 2 245.273 1.580 20 0 BDADLO CCC[C@](C)([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411269640 191174019 /nfs/dbraw/zinc/17/40/19/191174019.db2.gz BVSQIFIDUKPVAE-LBPRGKRZSA-N 1 2 243.347 1.613 20 0 BDADLO CCc1nc(C)c(C(=O)NCc2[nH+]ccn2C)o1 ZINC000293027536 352336378 /nfs/dbraw/zinc/33/63/78/352336378.db2.gz IQCIDAPMYKCASY-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCc1nc(C[NH+]2CC3(C2)CCOC3)cs1 ZINC000293870413 352363935 /nfs/dbraw/zinc/36/39/35/352363935.db2.gz CLRATRJONGJMET-UHFFFAOYSA-N 1 2 238.356 1.928 20 0 BDADLO CN1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000336105021 538103047 /nfs/dbraw/zinc/10/30/47/538103047.db2.gz WTEDYDBONWELDB-UHFFFAOYSA-N 1 2 237.372 1.768 20 0 BDADLO CC(C)[C@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC000298446952 187701283 /nfs/dbraw/zinc/70/12/83/187701283.db2.gz FFWROBJUCSKEHC-VIFPVBQESA-N 1 2 233.319 1.844 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)n1cccc1 ZINC000607948733 352453518 /nfs/dbraw/zinc/45/35/18/352453518.db2.gz SOJJDDQZTOLKAM-SNVBAGLBSA-N 1 2 232.287 1.479 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)n1cccc1 ZINC000607948733 352453520 /nfs/dbraw/zinc/45/35/20/352453520.db2.gz SOJJDDQZTOLKAM-SNVBAGLBSA-N 1 2 232.287 1.479 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCCOC2)c(C)c[nH+]1 ZINC000582146562 352558184 /nfs/dbraw/zinc/55/81/84/352558184.db2.gz ZQHVNZBDPSEHBW-LLVKDONJSA-N 1 2 249.314 1.421 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000411833598 191214430 /nfs/dbraw/zinc/21/44/30/191214430.db2.gz JRVTUWHQJFKJOQ-CYBMUJFWSA-N 1 2 239.290 1.866 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000411833598 191214433 /nfs/dbraw/zinc/21/44/33/191214433.db2.gz JRVTUWHQJFKJOQ-CYBMUJFWSA-N 1 2 239.290 1.866 20 0 BDADLO CC[C@H]([NH2+]Cc1ncnn1CC)c1ccncc1 ZINC000638679034 352517634 /nfs/dbraw/zinc/51/76/34/352517634.db2.gz ZNXAPXOGTYXOLX-LBPRGKRZSA-N 1 2 245.330 1.934 20 0 BDADLO CCc1cc(NCc2cc(C)no2)nc[nH+]1 ZINC000044995598 352555697 /nfs/dbraw/zinc/55/56/97/352555697.db2.gz GVPOUPCGWKGFRG-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CCN(CCC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000608012179 352600101 /nfs/dbraw/zinc/60/01/01/352600101.db2.gz SGOTVIJKKSNKPM-UHFFFAOYSA-N 1 2 249.236 1.684 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411880739 191225278 /nfs/dbraw/zinc/22/52/78/191225278.db2.gz WDVZYURBZGXKNP-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411880739 191225280 /nfs/dbraw/zinc/22/52/80/191225280.db2.gz WDVZYURBZGXKNP-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CCC[C@H]([NH2+]Cc1cn(C)nn1)c1ccccn1 ZINC000608056084 352651483 /nfs/dbraw/zinc/65/14/83/352651483.db2.gz NZJSVKBQHSGSMR-LBPRGKRZSA-N 1 2 245.330 1.841 20 0 BDADLO CC1(C)C[N@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000030197092 352671716 /nfs/dbraw/zinc/67/17/16/352671716.db2.gz UOKFJDJYVULAKI-UHFFFAOYSA-N 1 2 248.326 1.396 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000030197092 352671719 /nfs/dbraw/zinc/67/17/19/352671719.db2.gz UOKFJDJYVULAKI-UHFFFAOYSA-N 1 2 248.326 1.396 20 0 BDADLO CC[C@@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000341185122 352690120 /nfs/dbraw/zinc/69/01/20/352690120.db2.gz DYNRVJREDXYZRT-LLVKDONJSA-N 1 2 236.319 1.467 20 0 BDADLO CN(C)c1ccc(NCCC2CCOCC2)[nH+]c1 ZINC000638759206 352690905 /nfs/dbraw/zinc/69/09/05/352690905.db2.gz HKKGUFAVJVOVCK-UHFFFAOYSA-N 1 2 249.358 1.798 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncnn1C)CO2 ZINC000638761735 352699217 /nfs/dbraw/zinc/69/92/17/352699217.db2.gz JJWNZTNSZSXXOQ-NSHDSACASA-N 1 2 244.298 1.347 20 0 BDADLO COC1([C@H](C)[NH2+]Cc2noc(C)n2)CCC1 ZINC000412019440 191237142 /nfs/dbraw/zinc/23/71/42/191237142.db2.gz IFGGIUKBWYZHKZ-QMMMGPOBSA-N 1 2 225.292 1.425 20 0 BDADLO C[C@H]([NH2+]CCOCC1CC1)c1csnn1 ZINC000412045940 191242829 /nfs/dbraw/zinc/24/28/29/191242829.db2.gz SPOXXLWPSICTQH-QMMMGPOBSA-N 1 2 227.333 1.615 20 0 BDADLO CC[N@H+](CC(=O)NC1CC1)Cc1occc1C ZINC000412047509 191243543 /nfs/dbraw/zinc/24/35/43/191243543.db2.gz VCOWWSGUDRUMRI-UHFFFAOYSA-N 1 2 236.315 1.689 20 0 BDADLO CC[N@@H+](CC(=O)NC1CC1)Cc1occc1C ZINC000412047509 191243546 /nfs/dbraw/zinc/24/35/46/191243546.db2.gz VCOWWSGUDRUMRI-UHFFFAOYSA-N 1 2 236.315 1.689 20 0 BDADLO CC1(C)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340942931 352682405 /nfs/dbraw/zinc/68/24/05/352682405.db2.gz SAJIXGODKVSSOQ-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO Cc1nc(N2CCC[C@H]2c2ncon2)cc[nH+]1 ZINC000608081530 352733554 /nfs/dbraw/zinc/73/35/54/352733554.db2.gz RYOWUZUORZQJNU-VIFPVBQESA-N 1 2 231.259 1.510 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2CCCNC(=O)C2)c1 ZINC000638787564 352743476 /nfs/dbraw/zinc/74/34/76/352743476.db2.gz QMMTXNUTDVLNRO-JTQLQIEISA-N 1 2 219.288 1.471 20 0 BDADLO c1cn([C@@H]2CCCN(c3cccnn3)C2)c[nH+]1 ZINC000608082963 352750274 /nfs/dbraw/zinc/75/02/74/352750274.db2.gz BEIZOEDFPKDHNT-LLVKDONJSA-N 1 2 229.287 1.515 20 0 BDADLO COC1(C)CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000334177066 352762734 /nfs/dbraw/zinc/76/27/34/352762734.db2.gz DFQHNCJNMRGTKT-UHFFFAOYSA-N 1 2 245.282 1.195 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000334185255 352773689 /nfs/dbraw/zinc/77/36/89/352773689.db2.gz DUSCXXZQXKBLJT-VXGBXAGGSA-N 1 2 249.314 1.183 20 0 BDADLO CC[C@H](F)C[NH2+][C@H](C)c1csnn1 ZINC000412044338 191249963 /nfs/dbraw/zinc/24/99/63/191249963.db2.gz QRSFQERSWMEXQN-RQJHMYQMSA-N 1 2 203.286 1.937 20 0 BDADLO CC(C)[C@H](O)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412079559 191254164 /nfs/dbraw/zinc/25/41/64/191254164.db2.gz UPUKHNNBJPTTAO-SNVBAGLBSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412079559 191254166 /nfs/dbraw/zinc/25/41/66/191254166.db2.gz UPUKHNNBJPTTAO-SNVBAGLBSA-N 1 2 239.319 1.396 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000334205695 352801356 /nfs/dbraw/zinc/80/13/56/352801356.db2.gz VBKKBUAQCDIDMO-NXEZZACHSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000334205695 352801359 /nfs/dbraw/zinc/80/13/59/352801359.db2.gz VBKKBUAQCDIDMO-NXEZZACHSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(NCCCN2CCCCC2=O)cc[nH+]1 ZINC000608085249 352873538 /nfs/dbraw/zinc/87/35/38/352873538.db2.gz OTVPBUCRLLPALJ-UHFFFAOYSA-N 1 2 248.330 1.021 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1C1CC1 ZINC000361817229 180821899 /nfs/dbraw/zinc/82/18/99/180821899.db2.gz XYIWCLQIYHYPSS-LLVKDONJSA-N 1 2 243.314 1.742 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]2CCC[C@@H]21 ZINC000337862757 180821911 /nfs/dbraw/zinc/82/19/11/180821911.db2.gz JLCWYKXHFQPTNW-KOLCDFICSA-N 1 2 243.314 1.742 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000334352118 352986760 /nfs/dbraw/zinc/98/67/60/352986760.db2.gz GUXIVSRWBMCUQY-UWVGGRQHSA-N 1 2 244.360 1.508 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@@H]1CCCCO1 ZINC000334352118 352986762 /nfs/dbraw/zinc/98/67/62/352986762.db2.gz GUXIVSRWBMCUQY-UWVGGRQHSA-N 1 2 244.360 1.508 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000343078040 352955245 /nfs/dbraw/zinc/95/52/45/352955245.db2.gz KJPMRGNHQNFTQA-NSHDSACASA-N 1 2 246.314 1.397 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000343078040 352955249 /nfs/dbraw/zinc/95/52/49/352955249.db2.gz KJPMRGNHQNFTQA-NSHDSACASA-N 1 2 246.314 1.397 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(F)F ZINC000379483124 538106663 /nfs/dbraw/zinc/10/66/63/538106663.db2.gz DWGQMMQRNRRLQW-NKWVEPMBSA-N 1 2 203.236 1.724 20 0 BDADLO Brc1ccn(C[NH+]2CCCC2)n1 ZINC000307441597 353076835 /nfs/dbraw/zinc/07/68/35/353076835.db2.gz ANLWAGOVTMUUDX-UHFFFAOYSA-N 1 2 230.109 1.699 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC(C)(C)C1 ZINC000334430759 353105657 /nfs/dbraw/zinc/10/56/57/353105657.db2.gz JVEACFKJOWTQJX-UHFFFAOYSA-N 1 2 221.304 1.804 20 0 BDADLO CCCC[C@H](COC)NC(=O)Cn1cc[nH+]c1 ZINC000073822630 353113909 /nfs/dbraw/zinc/11/39/09/353113909.db2.gz GYANLIUHNWDJJB-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1nccn1C)OC ZINC000638919178 353083633 /nfs/dbraw/zinc/08/36/33/353083633.db2.gz KNJZIDBOMRLOLM-LLVKDONJSA-N 1 2 225.336 1.667 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1nccn1C)OC ZINC000638919178 353083635 /nfs/dbraw/zinc/08/36/35/353083635.db2.gz KNJZIDBOMRLOLM-LLVKDONJSA-N 1 2 225.336 1.667 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)nc1 ZINC000334424131 353103224 /nfs/dbraw/zinc/10/32/24/353103224.db2.gz WEUPXIZUIPJIMV-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)nc1 ZINC000334424131 353103225 /nfs/dbraw/zinc/10/32/25/353103225.db2.gz WEUPXIZUIPJIMV-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)NCC1CC1 ZINC000048463485 353156645 /nfs/dbraw/zinc/15/66/45/353156645.db2.gz YBWXCAPJNPUTBX-UHFFFAOYSA-N 1 2 248.330 1.357 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)C(=O)Nc1ccccc1 ZINC000093326704 538109852 /nfs/dbraw/zinc/10/98/52/538109852.db2.gz IVTXXWUDTKYRLU-SNVBAGLBSA-N 1 2 245.282 1.791 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCC[C@]2(C)CO)no1 ZINC000331008955 353212118 /nfs/dbraw/zinc/21/21/18/353212118.db2.gz MMSGYMFAGZTGNC-BXKDBHETSA-N 1 2 239.319 1.273 20 0 BDADLO C[N@@H+]1CCC[C@H](NCc2ncc(Cl)s2)C1 ZINC000225327919 538112058 /nfs/dbraw/zinc/11/20/58/538112058.db2.gz QDUBTVDIVZRKJP-QMMMGPOBSA-N 1 2 245.779 1.980 20 0 BDADLO C[N@H+]1CCC[C@H](NCc2ncc(Cl)s2)C1 ZINC000225327919 538112059 /nfs/dbraw/zinc/11/20/59/538112059.db2.gz QDUBTVDIVZRKJP-QMMMGPOBSA-N 1 2 245.779 1.980 20 0 BDADLO C[C@H]([NH2+]Cc1ncnn1C)c1ccsc1 ZINC000083971024 538112705 /nfs/dbraw/zinc/11/27/05/538112705.db2.gz HGZZIXZUJNXZEC-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO FC(F)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000130307838 180900620 /nfs/dbraw/zinc/90/06/20/180900620.db2.gz NZGIKHBCZFUADP-UHFFFAOYSA-N 1 2 241.285 1.464 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOCC1CC1 ZINC000134560476 538113286 /nfs/dbraw/zinc/11/32/86/538113286.db2.gz ZRMXAYUFTDEICM-VIFPVBQESA-N 1 2 223.320 1.795 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000343261944 353269701 /nfs/dbraw/zinc/26/97/01/353269701.db2.gz CWUIGHAKIZOLBS-JLLWLGSASA-N 1 2 248.326 1.723 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000343261944 353269702 /nfs/dbraw/zinc/26/97/02/353269702.db2.gz CWUIGHAKIZOLBS-JLLWLGSASA-N 1 2 248.326 1.723 20 0 BDADLO C/C=C\C[C@@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000352884733 188232732 /nfs/dbraw/zinc/23/27/32/188232732.db2.gz ULQMFHPHETZLNK-BYCRGOAPSA-N 1 2 249.314 1.261 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000353118057 188233813 /nfs/dbraw/zinc/23/38/13/188233813.db2.gz KQZKKSDWEFMYTK-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000353118057 188233815 /nfs/dbraw/zinc/23/38/15/188233815.db2.gz KQZKKSDWEFMYTK-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO COc1ccc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC000356279179 188239074 /nfs/dbraw/zinc/23/90/74/188239074.db2.gz JHCOLMJAYZGQOA-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccc(C[N@H+]2CCn3cncc3C2)cn1 ZINC000356279179 188239076 /nfs/dbraw/zinc/23/90/76/188239076.db2.gz JHCOLMJAYZGQOA-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CN(Cc1ccoc1)C(=O)NCc1c[nH+]cn1C ZINC000358124335 188240263 /nfs/dbraw/zinc/24/02/63/188240263.db2.gz XMJAZRPHSWQYIA-UHFFFAOYSA-N 1 2 248.286 1.355 20 0 BDADLO CC(C)Cn1cc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000359439059 188241238 /nfs/dbraw/zinc/24/12/38/188241238.db2.gz MQNPWPHKCGTGLI-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO CC(C)Cn1cc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000359439059 188241240 /nfs/dbraw/zinc/24/12/40/188241240.db2.gz MQNPWPHKCGTGLI-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO Cc1ccc(CCC(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000359511639 188241389 /nfs/dbraw/zinc/24/13/89/188241389.db2.gz BYWCISJUFNSLPZ-UHFFFAOYSA-N 1 2 247.298 1.869 20 0 BDADLO Oc1cccnc1CNc1cc[nH+]c(C2CC2)n1 ZINC000359895222 188242012 /nfs/dbraw/zinc/24/20/12/188242012.db2.gz FAZAUBLGUIEHAN-UHFFFAOYSA-N 1 2 242.282 1.489 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000361199783 188244677 /nfs/dbraw/zinc/24/46/77/188244677.db2.gz JLQMIVGZXSMYDP-VIFPVBQESA-N 1 2 209.293 1.708 20 0 BDADLO Cc1nc(N2CCCC[C@@H](CO)C2)cc[nH+]1 ZINC000374109261 188250380 /nfs/dbraw/zinc/25/03/80/188250380.db2.gz UPGCECADGSINLG-LLVKDONJSA-N 1 2 221.304 1.384 20 0 BDADLO c1coc([C@@H]2COCC[N@H+]2CC2=CCCOC2)c1 ZINC000378340477 188252275 /nfs/dbraw/zinc/25/22/75/188252275.db2.gz HVBJLIIBKHZGJV-ZDUSSCGKSA-N 1 2 249.310 2.000 20 0 BDADLO c1coc([C@@H]2COCC[N@@H+]2CC2=CCCOC2)c1 ZINC000378340477 188252277 /nfs/dbraw/zinc/25/22/77/188252277.db2.gz HVBJLIIBKHZGJV-ZDUSSCGKSA-N 1 2 249.310 2.000 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000307599902 188254829 /nfs/dbraw/zinc/25/48/29/188254829.db2.gz RPRNZMBXTWWBIF-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000307599902 188254830 /nfs/dbraw/zinc/25/48/30/188254830.db2.gz RPRNZMBXTWWBIF-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1nc(N(C)Cc2nccs2)cc[nH+]1 ZINC000074782710 188307705 /nfs/dbraw/zinc/30/77/05/188307705.db2.gz IZOCLNHWEPGCCV-UHFFFAOYSA-N 1 2 220.301 1.878 20 0 BDADLO COc1ccc(NCc2[nH]cc[nH+]2)nc1 ZINC000225894015 538114568 /nfs/dbraw/zinc/11/45/68/538114568.db2.gz NPLUFGAYWQAQAU-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@H]1CCCO1 ZINC000334501126 353331540 /nfs/dbraw/zinc/33/15/40/353331540.db2.gz HZFADTHHTHKMIM-RKDXNWHRSA-N 1 2 230.333 1.118 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@H]1CCCO1 ZINC000334501126 353331543 /nfs/dbraw/zinc/33/15/43/353331543.db2.gz HZFADTHHTHKMIM-RKDXNWHRSA-N 1 2 230.333 1.118 20 0 BDADLO COCC[N@H+](C)Cc1nc(C2CC2)no1 ZINC000054361443 353333768 /nfs/dbraw/zinc/33/37/68/353333768.db2.gz CANZJVZYSZCPNV-UHFFFAOYSA-N 1 2 211.265 1.025 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000054361443 353333772 /nfs/dbraw/zinc/33/37/72/353333772.db2.gz CANZJVZYSZCPNV-UHFFFAOYSA-N 1 2 211.265 1.025 20 0 BDADLO CC(C)CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000083370272 188316173 /nfs/dbraw/zinc/31/61/73/188316173.db2.gz NTGIALZCHYXDIB-LLVKDONJSA-N 1 2 242.269 1.737 20 0 BDADLO CCCCOCC[N@H+](C)CC(=O)OCC ZINC000050066516 188327966 /nfs/dbraw/zinc/32/79/66/188327966.db2.gz QLYVAJKKCRTADD-UHFFFAOYSA-N 1 2 217.309 1.298 20 0 BDADLO CCCCOCC[N@@H+](C)CC(=O)OCC ZINC000050066516 188327968 /nfs/dbraw/zinc/32/79/68/188327968.db2.gz QLYVAJKKCRTADD-UHFFFAOYSA-N 1 2 217.309 1.298 20 0 BDADLO C/C=C/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153762140 188332549 /nfs/dbraw/zinc/33/25/49/188332549.db2.gz OCOPGRPIHCUABU-KVOZUEDISA-N 1 2 233.315 1.768 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]1C ZINC000154164741 188332602 /nfs/dbraw/zinc/33/26/02/188332602.db2.gz QCOYJUGKIKESJB-JQWIXIFHSA-N 1 2 234.299 1.780 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@@H]1C ZINC000154164741 188332603 /nfs/dbraw/zinc/33/26/03/188332603.db2.gz QCOYJUGKIKESJB-JQWIXIFHSA-N 1 2 234.299 1.780 20 0 BDADLO C[C@@H](CCO)Sc1[nH+]cnc2c1cnn2C ZINC000085143802 538115580 /nfs/dbraw/zinc/11/55/80/538115580.db2.gz SOQOTFZUEFDQKI-ZETCQYMHSA-N 1 2 238.316 1.226 20 0 BDADLO C/C=C(\C)C(=O)NCCCNc1cccc[nH+]1 ZINC000176106103 188341302 /nfs/dbraw/zinc/34/13/02/188341302.db2.gz BBYUVGUSHDCZHO-QDEBKDIKSA-N 1 2 233.315 1.966 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC(C2CCC2)C1 ZINC000343289199 353368760 /nfs/dbraw/zinc/36/87/60/353368760.db2.gz PMROLCKGSVNBBW-UHFFFAOYSA-N 1 2 243.314 1.600 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CCC[C@H]1O ZINC000343290411 353370120 /nfs/dbraw/zinc/37/01/20/353370120.db2.gz RMHVEBYKQNBVNG-WDEREUQCSA-N 1 2 233.315 1.704 20 0 BDADLO Cc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183877071 188345610 /nfs/dbraw/zinc/34/56/10/188345610.db2.gz FIAHWSQDCQJEOU-UHFFFAOYSA-N 1 2 215.243 1.712 20 0 BDADLO CC(C)(NCc1[nH]cc[nH+]1)c1nccs1 ZINC000116380097 188345711 /nfs/dbraw/zinc/34/57/11/188345711.db2.gz IAQCFAOZQAJOEI-UHFFFAOYSA-N 1 2 222.317 1.891 20 0 BDADLO Cc1cnccc1CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335364665 188346617 /nfs/dbraw/zinc/34/66/17/188346617.db2.gz DBNFIDHZUCCUHZ-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cnccc1CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000335364665 188346618 /nfs/dbraw/zinc/34/66/18/188346618.db2.gz DBNFIDHZUCCUHZ-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000184806361 188346956 /nfs/dbraw/zinc/34/69/56/188346956.db2.gz HQSVTCKZZFAOFD-NWALNABHSA-N 1 2 247.302 1.102 20 0 BDADLO C=Cn1cc(C[NH+]2CC(n3cc(C)cn3)C2)cn1 ZINC000364758840 188354308 /nfs/dbraw/zinc/35/43/08/188354308.db2.gz KVNMIJRAMJCDBI-UHFFFAOYSA-N 1 2 243.314 1.545 20 0 BDADLO CC(C)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000267621775 188372584 /nfs/dbraw/zinc/37/25/84/188372584.db2.gz ZURPGFJYBBGTGO-UHFFFAOYSA-N 1 2 244.298 1.748 20 0 BDADLO CC(=CC(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000267187881 188373187 /nfs/dbraw/zinc/37/31/87/188373187.db2.gz JONZIBZPSFCQPQ-VMPITWQZSA-N 1 2 219.288 1.691 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)no1 ZINC000365798004 188364243 /nfs/dbraw/zinc/36/42/43/188364243.db2.gz SLNOOAGRYKAWEK-QWRGUYRKSA-N 1 2 235.287 1.899 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC=CO2)no1 ZINC000365798004 188364245 /nfs/dbraw/zinc/36/42/45/188364245.db2.gz SLNOOAGRYKAWEK-QWRGUYRKSA-N 1 2 235.287 1.899 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H]2CO)cc[nH+]1 ZINC000112965401 188368370 /nfs/dbraw/zinc/36/83/70/188368370.db2.gz LCHJNZYMYDXUER-SNVBAGLBSA-N 1 2 221.304 1.561 20 0 BDADLO CC(=O)N1CCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000264557006 188370845 /nfs/dbraw/zinc/37/08/45/188370845.db2.gz TWSRUBZBTBHIGK-LBPRGKRZSA-N 1 2 247.298 1.339 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000516502795 324118489 /nfs/dbraw/zinc/11/84/89/324118489.db2.gz PYZWJZXOJVFAII-MWLCHTKSSA-N 1 2 221.304 1.267 20 0 BDADLO CC(C)N(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000276586357 188380132 /nfs/dbraw/zinc/38/01/32/188380132.db2.gz MHSTVPOJQPIWLY-UHFFFAOYSA-N 1 2 235.331 1.752 20 0 BDADLO COc1ccc(CNc2cc[nH+]c(C)n2)nc1 ZINC000277951105 188380940 /nfs/dbraw/zinc/38/09/40/188380940.db2.gz KAQSLSYTBMJXNI-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CC(C)(C)[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000277423986 188381103 /nfs/dbraw/zinc/38/11/03/188381103.db2.gz LJXPQAZAAUOARC-ZCFIWIBFSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)(C)[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000277423986 188381105 /nfs/dbraw/zinc/38/11/05/188381105.db2.gz LJXPQAZAAUOARC-ZCFIWIBFSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccnc1 ZINC000282786952 188384582 /nfs/dbraw/zinc/38/45/82/188384582.db2.gz WCXIUTVPZNXYMC-UHFFFAOYSA-N 1 2 245.330 1.718 20 0 BDADLO Cn1c[nH+]cc1CN1CC(O)(c2ccccc2)C1 ZINC000285702018 188387109 /nfs/dbraw/zinc/38/71/09/188387109.db2.gz OIYIKRXBKRPREA-UHFFFAOYSA-N 1 2 243.310 1.124 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccns1 ZINC000639086150 353435079 /nfs/dbraw/zinc/43/50/79/353435079.db2.gz OBSNRAKMIVGWRG-SFYZADRCSA-N 1 2 216.281 1.048 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccns1 ZINC000639086150 353435081 /nfs/dbraw/zinc/43/50/81/353435081.db2.gz OBSNRAKMIVGWRG-SFYZADRCSA-N 1 2 216.281 1.048 20 0 BDADLO Cc1nc(N2CCOCC(F)(F)C2)cc[nH+]1 ZINC000289214369 188388350 /nfs/dbraw/zinc/38/83/50/188388350.db2.gz YQIIKLWJRFTEFT-UHFFFAOYSA-N 1 2 229.230 1.257 20 0 BDADLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)n1C ZINC000290873916 188389045 /nfs/dbraw/zinc/38/90/45/188389045.db2.gz CYQVWEWCNQGYRO-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO CC(=O)c1ccc(C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000296977569 188395072 /nfs/dbraw/zinc/39/50/72/188395072.db2.gz DOMCTLDDWTYNTK-UHFFFAOYSA-N 1 2 246.310 1.211 20 0 BDADLO CC(=O)c1ccc(C[N@H+]2CCNC(=O)CC2)cc1 ZINC000296977569 188395073 /nfs/dbraw/zinc/39/50/73/188395073.db2.gz DOMCTLDDWTYNTK-UHFFFAOYSA-N 1 2 246.310 1.211 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH]nn1)C1CCCC1 ZINC000398400388 363230209 /nfs/dbraw/zinc/23/02/09/363230209.db2.gz MODDFOQKELPVMF-LLVKDONJSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn[nH]n1)C1CCCC1 ZINC000398400388 363230215 /nfs/dbraw/zinc/23/02/15/363230215.db2.gz MODDFOQKELPVMF-LLVKDONJSA-N 1 2 208.309 1.863 20 0 BDADLO CC(C)[N@H+](CC(=O)Nc1ccccc1)C1COC1 ZINC000295561967 188393025 /nfs/dbraw/zinc/39/30/25/188393025.db2.gz XZINHSZXDYAWBY-UHFFFAOYSA-N 1 2 248.326 1.734 20 0 BDADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1)C1COC1 ZINC000295561967 188393027 /nfs/dbraw/zinc/39/30/27/188393027.db2.gz XZINHSZXDYAWBY-UHFFFAOYSA-N 1 2 248.326 1.734 20 0 BDADLO CC(C)N(Cc1[nH+]ccn1C)C1COC1 ZINC000296140365 188394260 /nfs/dbraw/zinc/39/42/60/188394260.db2.gz VCCADDRRPITMFS-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO c1ccc(NCCc2nnc3ccccn32)[nH+]c1 ZINC000061174084 353509226 /nfs/dbraw/zinc/50/92/26/353509226.db2.gz WKAQOMDWIZHQHA-UHFFFAOYSA-N 1 2 239.282 1.779 20 0 BDADLO CCC1(CNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000572511274 324137553 /nfs/dbraw/zinc/13/75/53/324137553.db2.gz IJDRIVOKYJMKIE-VIFPVBQESA-N 1 2 239.344 1.449 20 0 BDADLO CC(C)(C)[C@@H](CO)[NH2+]Cc1noc(C2CC2)n1 ZINC000193102784 353575013 /nfs/dbraw/zinc/57/50/13/353575013.db2.gz SKIIPKIODUDZSH-SECBINFHSA-N 1 2 239.319 1.444 20 0 BDADLO C[C@H](CC(=O)NC1CCC1)n1cc[nH+]c1 ZINC000572529678 324210940 /nfs/dbraw/zinc/21/09/40/324210940.db2.gz QJJTVTHOEPLDQM-SECBINFHSA-N 1 2 207.277 1.503 20 0 BDADLO CCC1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC000175907769 535244731 /nfs/dbraw/zinc/24/47/31/535244731.db2.gz NBLPSVADYXNLHU-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000175907769 535244742 /nfs/dbraw/zinc/24/47/42/535244742.db2.gz NBLPSVADYXNLHU-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1[C@H](C)CN(c2nc[nH+]c3c2OCCN3)[C@H]1C ZINC000642318841 363258289 /nfs/dbraw/zinc/25/82/89/363258289.db2.gz YPDUBWKKZJHPEZ-BBBLOLIVSA-N 1 2 248.330 1.762 20 0 BDADLO C[C@@H]1[C@H](C)CN(c2[nH+]cnc3c2OCCN3)[C@H]1C ZINC000642318841 363258290 /nfs/dbraw/zinc/25/82/90/363258290.db2.gz YPDUBWKKZJHPEZ-BBBLOLIVSA-N 1 2 248.330 1.762 20 0 BDADLO CC(C)n1cc[nH+]c1CSc1nc[nH]n1 ZINC000195516784 353765716 /nfs/dbraw/zinc/76/57/16/353765716.db2.gz QPLVLOZVZGQJSV-UHFFFAOYSA-N 1 2 223.305 1.874 20 0 BDADLO Fc1ccccc1CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368326324 181011412 /nfs/dbraw/zinc/01/14/12/181011412.db2.gz CNFAKGCFZVGZBH-OLZOCXBDSA-N 1 2 221.275 1.841 20 0 BDADLO Fc1ccccc1CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368326324 181011413 /nfs/dbraw/zinc/01/14/13/181011413.db2.gz CNFAKGCFZVGZBH-OLZOCXBDSA-N 1 2 221.275 1.841 20 0 BDADLO COCC[N@H+](Cc1ccns1)[C@H]1CCOC1 ZINC000639131035 353839605 /nfs/dbraw/zinc/83/96/05/353839605.db2.gz DDUJPBOSJSIPTI-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO COCC[N@@H+](Cc1ccns1)[C@H]1CCOC1 ZINC000639131035 353839607 /nfs/dbraw/zinc/83/96/07/353839607.db2.gz DDUJPBOSJSIPTI-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334536844 353923584 /nfs/dbraw/zinc/92/35/84/353923584.db2.gz ANSGRYVCRZEEQU-WCBMZHEXSA-N 1 2 212.272 1.310 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@](C)(F)C1 ZINC000334536844 353923586 /nfs/dbraw/zinc/92/35/86/353923586.db2.gz ANSGRYVCRZEEQU-WCBMZHEXSA-N 1 2 212.272 1.310 20 0 BDADLO O=c1c(C[NH2+]CC(F)F)cccn1C(F)F ZINC000639161372 353930689 /nfs/dbraw/zinc/93/06/89/353930689.db2.gz CMDXRQXNEHASJT-UHFFFAOYSA-N 1 2 238.184 1.598 20 0 BDADLO Cc1cc(NCc2noc(C3CC3)n2)nc[nH+]1 ZINC000343471510 353900349 /nfs/dbraw/zinc/90/03/49/353900349.db2.gz PLBUGCZDAOYEDD-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO Cn1cc[nH+]c1[C@H](NCC(F)F)C1CC1 ZINC000639163485 353968583 /nfs/dbraw/zinc/96/85/83/353968583.db2.gz WHXSOPFRUBXWJH-SECBINFHSA-N 1 2 215.247 1.726 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]1C(F)F ZINC000343750189 353971826 /nfs/dbraw/zinc/97/18/26/353971826.db2.gz ATJKOCKLPBKLHR-FSPLSTOPSA-N 1 2 239.229 1.429 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000343787565 353993192 /nfs/dbraw/zinc/99/31/92/353993192.db2.gz RBQDCGOGZBVLSG-MNOVXSKESA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000343787565 353993195 /nfs/dbraw/zinc/99/31/95/353993195.db2.gz RBQDCGOGZBVLSG-MNOVXSKESA-N 1 2 248.330 1.524 20 0 BDADLO COCC[C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000412469405 191290693 /nfs/dbraw/zinc/29/06/93/191290693.db2.gz IFHNHFAFKRPQMW-QMMMGPOBSA-N 1 2 225.292 1.121 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCO[C@@H](CF)C2)n1 ZINC000577950359 366130813 /nfs/dbraw/zinc/13/08/13/366130813.db2.gz DILOETFKSFSUGU-ZDUSSCGKSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cccc(CC[N@H+]2CCO[C@@H](CF)C2)n1 ZINC000577950359 366130818 /nfs/dbraw/zinc/13/08/18/366130818.db2.gz DILOETFKSFSUGU-ZDUSSCGKSA-N 1 2 238.306 1.603 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnccn1 ZINC000334557051 354003157 /nfs/dbraw/zinc/00/31/57/354003157.db2.gz JKIPKVFDBQXERQ-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnccn1 ZINC000334557051 354003160 /nfs/dbraw/zinc/00/31/60/354003160.db2.gz JKIPKVFDBQXERQ-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO COc1cncc(C[NH2+][C@@H](C)c2ccon2)c1 ZINC000343859875 354025217 /nfs/dbraw/zinc/02/52/17/354025217.db2.gz VZRHNJMRYYCAMN-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cn1c[nH+]cc1CN(C#N)c1ccccc1 ZINC000343868807 354027744 /nfs/dbraw/zinc/02/77/44/354027744.db2.gz GRNCVDWZRWALPL-UHFFFAOYSA-N 1 2 212.256 1.908 20 0 BDADLO CCn1nncc1C[NH+]1Cc2ccccc2C1 ZINC000334563204 354078804 /nfs/dbraw/zinc/07/88/04/354078804.db2.gz JIMSXWABRGHYKK-UHFFFAOYSA-N 1 2 228.299 1.814 20 0 BDADLO CN(CCC(N)=O)c1[nH+]ccc2ccc(F)cc21 ZINC000343944729 354049967 /nfs/dbraw/zinc/04/99/67/354049967.db2.gz LGNNVFNLLDYNRR-UHFFFAOYSA-N 1 2 247.273 1.686 20 0 BDADLO C[C@H](O)[C@H](C)SCCCn1cc[nH+]c1 ZINC000230720529 363322745 /nfs/dbraw/zinc/32/27/45/363322745.db2.gz PWGUEYYVFLSZTR-UWVGGRQHSA-N 1 2 214.334 1.776 20 0 BDADLO Clc1cnn(CC[N@@H+]2CCOCC23CC3)c1 ZINC000334560188 354112230 /nfs/dbraw/zinc/11/22/30/354112230.db2.gz KJBLBKSYMHRTBB-UHFFFAOYSA-N 1 2 241.722 1.401 20 0 BDADLO Clc1cnn(CC[N@H+]2CCOCC23CC3)c1 ZINC000334560188 354112233 /nfs/dbraw/zinc/11/22/33/354112233.db2.gz KJBLBKSYMHRTBB-UHFFFAOYSA-N 1 2 241.722 1.401 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnc(N)c1 ZINC000334561468 354115452 /nfs/dbraw/zinc/11/54/52/354115452.db2.gz LNQYDGDEJGZXFQ-LLVKDONJSA-N 1 2 242.326 1.872 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnc(N)c1 ZINC000334561468 354115454 /nfs/dbraw/zinc/11/54/54/354115454.db2.gz LNQYDGDEJGZXFQ-LLVKDONJSA-N 1 2 242.326 1.872 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084151 354136259 /nfs/dbraw/zinc/13/62/59/354136259.db2.gz FVSHPEVQAXMYER-RKDXNWHRSA-N 1 2 242.298 1.438 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084151 354136261 /nfs/dbraw/zinc/13/62/61/354136261.db2.gz FVSHPEVQAXMYER-RKDXNWHRSA-N 1 2 242.298 1.438 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000449667598 202000511 /nfs/dbraw/zinc/00/05/11/202000511.db2.gz RGFDTASXWNKVQI-ZRUFSTJUSA-N 1 2 213.321 1.961 20 0 BDADLO COc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000344196344 354181289 /nfs/dbraw/zinc/18/12/89/354181289.db2.gz RDPCKKWOTBBNLD-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334596521 354229956 /nfs/dbraw/zinc/22/99/56/354229956.db2.gz FCMJKKOQMRGRDD-CHWSQXEVSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334596521 354229959 /nfs/dbraw/zinc/22/99/59/354229959.db2.gz FCMJKKOQMRGRDD-CHWSQXEVSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000334596521 354229960 /nfs/dbraw/zinc/22/99/60/354229960.db2.gz FCMJKKOQMRGRDD-CHWSQXEVSA-N 1 2 235.331 1.656 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)c2[nH+]ccn21 ZINC000334611883 354294884 /nfs/dbraw/zinc/29/48/84/354294884.db2.gz SXPHYTRCEKWRSR-APPZFPTMSA-N 1 2 248.261 1.786 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1nncn1C)OC ZINC000639183043 354340832 /nfs/dbraw/zinc/34/08/32/354340832.db2.gz QKDGPLXCPJSGEL-GHMZBOCLSA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1nncn1C)OC ZINC000639183043 354340834 /nfs/dbraw/zinc/34/08/34/354340834.db2.gz QKDGPLXCPJSGEL-GHMZBOCLSA-N 1 2 240.351 1.308 20 0 BDADLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@H]1C ZINC000095016190 366160867 /nfs/dbraw/zinc/16/08/67/366160867.db2.gz JFIIKSVXXMUARE-PSASIEDQSA-N 1 2 235.287 1.030 20 0 BDADLO CC(=O)CCC(C)(C)C(=O)NCC[NH+]1CCC1 ZINC000344717581 354354743 /nfs/dbraw/zinc/35/47/43/354354743.db2.gz FOTUBFYODZODLW-UHFFFAOYSA-N 1 2 240.347 1.204 20 0 BDADLO O=C(Cn1cccn1)Nc1c[nH+]c2n1CCCC2 ZINC000334634049 354378660 /nfs/dbraw/zinc/37/86/60/354378660.db2.gz PNVCHNVXHWYKHH-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO CN(C)c1ccc(NC[C@@H]2CCCOC2)[nH+]c1 ZINC000344963344 354384117 /nfs/dbraw/zinc/38/41/17/354384117.db2.gz JTMNVBWHSQXHJW-NSHDSACASA-N 1 2 235.331 1.408 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@@H+](C3CCCC3)C2)O1 ZINC000334624165 354363390 /nfs/dbraw/zinc/36/33/90/354363390.db2.gz OUGBOILBKOMWKS-VIFPVBQESA-N 1 2 237.303 1.897 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@H+](C3CCCC3)C2)O1 ZINC000334624165 354363393 /nfs/dbraw/zinc/36/33/93/354363393.db2.gz OUGBOILBKOMWKS-VIFPVBQESA-N 1 2 237.303 1.897 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000334624165 354363395 /nfs/dbraw/zinc/36/33/95/354363395.db2.gz OUGBOILBKOMWKS-VIFPVBQESA-N 1 2 237.303 1.897 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000334624165 354363397 /nfs/dbraw/zinc/36/33/97/354363397.db2.gz OUGBOILBKOMWKS-VIFPVBQESA-N 1 2 237.303 1.897 20 0 BDADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H]1C1CC1 ZINC000334687526 354433700 /nfs/dbraw/zinc/43/37/00/354433700.db2.gz AHCIYODZAUTKEC-ZYHUDNBSSA-N 1 2 245.326 1.841 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000578037529 366199550 /nfs/dbraw/zinc/19/95/50/366199550.db2.gz GGPZKBJHWSCVPY-NWDGAFQWSA-N 1 2 246.310 1.753 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCO[C@H](CF)C1 ZINC000334657773 354453521 /nfs/dbraw/zinc/45/35/21/354453521.db2.gz AJEWWCQYWCICBI-SNVBAGLBSA-N 1 2 249.289 1.748 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000639189849 354458463 /nfs/dbraw/zinc/45/84/63/354458463.db2.gz JDJZAVZBACQZJY-LLVKDONJSA-N 1 2 220.320 1.436 20 0 BDADLO Cn1ncnc1C[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000639189849 354458465 /nfs/dbraw/zinc/45/84/65/354458465.db2.gz JDJZAVZBACQZJY-LLVKDONJSA-N 1 2 220.320 1.436 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1conc1C ZINC000334733522 354533700 /nfs/dbraw/zinc/53/37/00/354533700.db2.gz UAETXDFHZFTQCV-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1conc1C ZINC000334733522 354533704 /nfs/dbraw/zinc/53/37/04/354533704.db2.gz UAETXDFHZFTQCV-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000334808609 354565847 /nfs/dbraw/zinc/56/58/47/354565847.db2.gz GRMNSBMSZJYYJM-UWVGGRQHSA-N 1 2 214.284 1.040 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000334808609 354565852 /nfs/dbraw/zinc/56/58/52/354565852.db2.gz GRMNSBMSZJYYJM-UWVGGRQHSA-N 1 2 214.284 1.040 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000334814061 354571487 /nfs/dbraw/zinc/57/14/87/354571487.db2.gz XYDURVLQOWSGQG-QWRGUYRKSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](F)C1 ZINC000334814061 354571492 /nfs/dbraw/zinc/57/14/92/354571492.db2.gz XYDURVLQOWSGQG-QWRGUYRKSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2cccn2C)c2[nH+]ccn21 ZINC000334753665 354575205 /nfs/dbraw/zinc/57/52/05/354575205.db2.gz DEHDQGDVLYYGKU-NXEZZACHSA-N 1 2 244.298 1.657 20 0 BDADLO c1coc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000334756217 354578674 /nfs/dbraw/zinc/57/86/74/354578674.db2.gz RDOLZXRVHYQKKP-CHWSQXEVSA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000334756217 354578675 /nfs/dbraw/zinc/57/86/75/354578675.db2.gz RDOLZXRVHYQKKP-CHWSQXEVSA-N 1 2 237.299 1.659 20 0 BDADLO CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000334766022 354587691 /nfs/dbraw/zinc/58/76/91/354587691.db2.gz NUBTXQIEUMLRDR-MRVPVSSYSA-N 1 2 247.298 1.856 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639195574 354595772 /nfs/dbraw/zinc/59/57/72/354595772.db2.gz FTKSHMQWUQVGIM-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1ccns1 ZINC000639195574 354595774 /nfs/dbraw/zinc/59/57/74/354595774.db2.gz FTKSHMQWUQVGIM-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335095061 354633639 /nfs/dbraw/zinc/63/36/39/354633639.db2.gz HHMPZQXYVUNGLF-MWLCHTKSSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335095061 354633641 /nfs/dbraw/zinc/63/36/41/354633641.db2.gz HHMPZQXYVUNGLF-MWLCHTKSSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)ccc1F ZINC000345385670 354646947 /nfs/dbraw/zinc/64/69/47/354646947.db2.gz YZLBKXSDWIVTGQ-UHFFFAOYSA-N 1 2 246.241 1.909 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000335104046 354688276 /nfs/dbraw/zinc/68/82/76/354688276.db2.gz NGTRFSKTOIMMQH-NXEZZACHSA-N 1 2 239.294 1.863 20 0 BDADLO CN(C)c1ccc(CNC(=O)C(C)(C)C)c[nH+]1 ZINC000040081447 358488545 /nfs/dbraw/zinc/48/85/45/358488545.db2.gz WXJCGPDDHLWVMV-UHFFFAOYSA-N 1 2 235.331 1.810 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000335114879 354703468 /nfs/dbraw/zinc/70/34/68/354703468.db2.gz HUOUMQRBJBDIQF-LLVKDONJSA-N 1 2 240.347 1.456 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000335114879 354703470 /nfs/dbraw/zinc/70/34/70/354703470.db2.gz HUOUMQRBJBDIQF-LLVKDONJSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H]1CCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335102570 354713685 /nfs/dbraw/zinc/71/36/85/354713685.db2.gz XCJRWDNOLNPZRL-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO CC(C)(C(=O)NCc1ccccn1)c1c[nH]c[nH+]1 ZINC000345633948 354719315 /nfs/dbraw/zinc/71/93/15/354719315.db2.gz CUXVUNVCOXJCTD-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000345589904 354724082 /nfs/dbraw/zinc/72/40/82/354724082.db2.gz HNDVATPKLMNYHX-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345440507 354669715 /nfs/dbraw/zinc/66/97/15/354669715.db2.gz CPAINFPVGASCPB-GFCCVEGCSA-N 1 2 249.314 1.654 20 0 BDADLO Cc1sccc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000345440519 354669801 /nfs/dbraw/zinc/66/98/01/354669801.db2.gz CPZGNPKYDSMSJK-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]1C(F)F ZINC000345798914 354773212 /nfs/dbraw/zinc/77/32/12/354773212.db2.gz IQLRPSUTPLYGPO-JGVFFNPUSA-N 1 2 229.230 1.043 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2ccn(C)n2)n1 ZINC000345816857 354785339 /nfs/dbraw/zinc/78/53/39/354785339.db2.gz LSFQKIBGAZUEBK-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO O[C@H](Cc1ccccc1)C[N@@H+]1CCC(F)(F)C1 ZINC000345966298 354822649 /nfs/dbraw/zinc/82/26/49/354822649.db2.gz WKJSPWBKCZRZST-GFCCVEGCSA-N 1 2 241.281 1.931 20 0 BDADLO O[C@H](Cc1ccccc1)C[N@H+]1CCC(F)(F)C1 ZINC000345966298 354822654 /nfs/dbraw/zinc/82/26/54/354822654.db2.gz WKJSPWBKCZRZST-GFCCVEGCSA-N 1 2 241.281 1.931 20 0 BDADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(O)c1 ZINC000040418359 358490144 /nfs/dbraw/zinc/49/01/44/358490144.db2.gz XJGHUUPORGKAHV-UHFFFAOYSA-N 1 2 245.282 1.926 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC1(C)CC1 ZINC000345880272 354795183 /nfs/dbraw/zinc/79/51/83/354795183.db2.gz JAPIMRADBMSIKG-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCSC1)C1CC1 ZINC000234581618 363424909 /nfs/dbraw/zinc/42/49/09/363424909.db2.gz LDNOVAPVMXOHIU-RKDXNWHRSA-N 1 2 215.318 1.033 20 0 BDADLO CC(C)COCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346395088 354908611 /nfs/dbraw/zinc/90/86/11/354908611.db2.gz JDLZRPVDCCTPDH-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO CCc1cccc(C[N@H+](C)Cc2nnnn2C)c1 ZINC000346435248 354934432 /nfs/dbraw/zinc/93/44/32/354934432.db2.gz PCOWNZWDOPVEJQ-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CCc1cccc(C[N@@H+](C)Cc2nnnn2C)c1 ZINC000346435248 354934434 /nfs/dbraw/zinc/93/44/34/354934434.db2.gz PCOWNZWDOPVEJQ-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172062 354936995 /nfs/dbraw/zinc/93/69/95/354936995.db2.gz AMCNKSMPEYOLTJ-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172062 354936998 /nfs/dbraw/zinc/93/69/98/354936998.db2.gz AMCNKSMPEYOLTJ-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cnccn1 ZINC000346525953 354976316 /nfs/dbraw/zinc/97/63/16/354976316.db2.gz MVQIOCJQAZBAJL-MNOVXSKESA-N 1 2 247.298 1.844 20 0 BDADLO OC1(C[N@@H+]2CCOCC(F)(F)C2)CCCC1 ZINC000335190072 355022494 /nfs/dbraw/zinc/02/24/94/355022494.db2.gz FXGURRLZJXHYBP-UHFFFAOYSA-N 1 2 235.274 1.259 20 0 BDADLO OC1(C[N@H+]2CCOCC(F)(F)C2)CCCC1 ZINC000335190072 355022499 /nfs/dbraw/zinc/02/24/99/355022499.db2.gz FXGURRLZJXHYBP-UHFFFAOYSA-N 1 2 235.274 1.259 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1ncc(Cl)s1 ZINC000352002750 134034114 /nfs/dbraw/zinc/03/41/14/134034114.db2.gz NGZWGLSYHOHVCA-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000352002750 134034115 /nfs/dbraw/zinc/03/41/15/134034115.db2.gz NGZWGLSYHOHVCA-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000346825365 355126541 /nfs/dbraw/zinc/12/65/41/355126541.db2.gz MNOQWYFVBZOHLP-NXEZZACHSA-N 1 2 238.335 1.375 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000346825365 355126544 /nfs/dbraw/zinc/12/65/44/355126544.db2.gz MNOQWYFVBZOHLP-NXEZZACHSA-N 1 2 238.335 1.375 20 0 BDADLO CCOC(=O)C[N@H+](CCOC1CCC1)C1CC1 ZINC000346850499 355137849 /nfs/dbraw/zinc/13/78/49/355137849.db2.gz LIVKWPDWFKQWQT-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC1CCC1)C1CC1 ZINC000346850499 355137854 /nfs/dbraw/zinc/13/78/54/355137854.db2.gz LIVKWPDWFKQWQT-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@@H+]1CCOC[C@@H]1C ZINC000413000484 191334795 /nfs/dbraw/zinc/33/47/95/191334795.db2.gz PDQZQZZRVKNTIB-GXSJLCMTSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@H+]1CCOC[C@@H]1C ZINC000413000484 191334798 /nfs/dbraw/zinc/33/47/98/191334798.db2.gz PDQZQZZRVKNTIB-GXSJLCMTSA-N 1 2 231.361 1.418 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346993288 355191343 /nfs/dbraw/zinc/19/13/43/355191343.db2.gz VQMBXVDIGONLFA-LBPRGKRZSA-N 1 2 234.299 1.782 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346993288 355191345 /nfs/dbraw/zinc/19/13/45/355191345.db2.gz VQMBXVDIGONLFA-LBPRGKRZSA-N 1 2 234.299 1.782 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1cccnn1 ZINC000412996585 191332539 /nfs/dbraw/zinc/33/25/39/191332539.db2.gz FSDOOLKHHSYTKF-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1cccnn1 ZINC000412996585 191332541 /nfs/dbraw/zinc/33/25/41/191332541.db2.gz FSDOOLKHHSYTKF-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000639232516 355215400 /nfs/dbraw/zinc/21/54/00/355215400.db2.gz KFISMVSWQITJKD-GFCCVEGCSA-N 1 2 236.290 1.584 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000639232516 355215404 /nfs/dbraw/zinc/21/54/04/355215404.db2.gz KFISMVSWQITJKD-GFCCVEGCSA-N 1 2 236.290 1.584 20 0 BDADLO C[C@H](O)C[N@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000639236017 355220875 /nfs/dbraw/zinc/22/08/75/355220875.db2.gz WQPPDRCUPORWIW-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@H](O)C[N@@H+](CCC[C@@H]1CCO1)CC(F)F ZINC000639236017 355220878 /nfs/dbraw/zinc/22/08/78/355220878.db2.gz WQPPDRCUPORWIW-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1coc(SCC[N@H+]2CCOC[C@H]2C)n1 ZINC000413004543 191336976 /nfs/dbraw/zinc/33/69/76/191336976.db2.gz KHIUPLNISVRLFZ-SNVBAGLBSA-N 1 2 242.344 1.796 20 0 BDADLO Cc1coc(SCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000413004543 191336977 /nfs/dbraw/zinc/33/69/77/191336977.db2.gz KHIUPLNISVRLFZ-SNVBAGLBSA-N 1 2 242.344 1.796 20 0 BDADLO CC[C@H]1C[N@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000347620797 355238280 /nfs/dbraw/zinc/23/82/80/355238280.db2.gz JSHHCLSEOQOLBE-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1C[N@@H+](CCNC(=O)C2(C)CC2)CCO1 ZINC000347620797 355238282 /nfs/dbraw/zinc/23/82/82/355238282.db2.gz JSHHCLSEOQOLBE-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347627690 355239950 /nfs/dbraw/zinc/23/99/50/355239950.db2.gz WBKDNMDKPXDQST-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347627690 355239952 /nfs/dbraw/zinc/23/99/52/355239952.db2.gz WBKDNMDKPXDQST-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cccn2cc(CSCC(N)=O)[nH+]c12 ZINC000413020401 191342905 /nfs/dbraw/zinc/34/29/05/191342905.db2.gz SLBUBZMUYTVSFJ-UHFFFAOYSA-N 1 2 235.312 1.361 20 0 BDADLO CC1CCC(O)(C[NH+]2CC(O)(C(F)F)C2)CC1 ZINC000335280160 355243801 /nfs/dbraw/zinc/24/38/01/355243801.db2.gz HACCSVQAYROJIH-UHFFFAOYSA-N 1 2 249.301 1.239 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1nccn1C)OC ZINC000412975570 191347036 /nfs/dbraw/zinc/34/70/36/191347036.db2.gz FXNCFXVFWRGSPL-JTQLQIEISA-N 1 2 211.309 1.277 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1nccn1C)OC ZINC000412975570 191347038 /nfs/dbraw/zinc/34/70/38/191347038.db2.gz FXNCFXVFWRGSPL-JTQLQIEISA-N 1 2 211.309 1.277 20 0 BDADLO O[C@@H]1CCCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413096296 191355134 /nfs/dbraw/zinc/35/51/34/191355134.db2.gz DXSFNXJATJQXOE-WDEREUQCSA-N 1 2 248.330 1.766 20 0 BDADLO O[C@@H]1CCCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413096296 191355138 /nfs/dbraw/zinc/35/51/38/191355138.db2.gz DXSFNXJATJQXOE-WDEREUQCSA-N 1 2 248.330 1.766 20 0 BDADLO Cc1nc(N2CCCc3c(cnn3C)C2)cc[nH+]1 ZINC000413474806 191386689 /nfs/dbraw/zinc/38/66/89/191386689.db2.gz BQEZDTDTHVUNRE-UHFFFAOYSA-N 1 2 243.314 1.471 20 0 BDADLO CC(C)n1cc(C[N@H+](C)C[C@H]2CCCO2)nn1 ZINC000347683325 355267462 /nfs/dbraw/zinc/26/74/62/355267462.db2.gz ZKLYPAUGHXRTDJ-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)C[C@H]2CCCO2)nn1 ZINC000347683325 355267464 /nfs/dbraw/zinc/26/74/64/355267464.db2.gz ZKLYPAUGHXRTDJ-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)nc[nH+]1 ZINC000413531524 191392382 /nfs/dbraw/zinc/39/23/82/191392382.db2.gz LUXXPLZSAGIPOK-DCAQKATOSA-N 1 2 221.304 1.432 20 0 BDADLO CO[C@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000413305241 191370419 /nfs/dbraw/zinc/37/04/19/191370419.db2.gz ZGYQLLZTEUDXDC-LLVKDONJSA-N 1 2 248.330 1.888 20 0 BDADLO CO[C@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000413305241 191370421 /nfs/dbraw/zinc/37/04/21/191370421.db2.gz ZGYQLLZTEUDXDC-LLVKDONJSA-N 1 2 248.330 1.888 20 0 BDADLO CC(C)c1nccc(NCCc2cn(C)c[nH+]2)n1 ZINC000413376402 191377587 /nfs/dbraw/zinc/37/75/87/191377587.db2.gz BMHWTIHMTXIMGY-UHFFFAOYSA-N 1 2 245.330 1.410 20 0 BDADLO COc1c(C)cc(C[NH+]2CC(C)(O)C2)cc1C ZINC000639253556 355291102 /nfs/dbraw/zinc/29/11/02/355291102.db2.gz APTHLDRIABSRNR-UHFFFAOYSA-N 1 2 235.327 1.879 20 0 BDADLO CC1(O)C[NH+](CCc2cccc(Cl)c2)C1 ZINC000639253628 355291743 /nfs/dbraw/zinc/29/17/43/355291743.db2.gz LPHNODITWCFIMX-UHFFFAOYSA-N 1 2 225.719 1.949 20 0 BDADLO CC1(O)C[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000639253864 355292773 /nfs/dbraw/zinc/29/27/73/355292773.db2.gz IGVCROQLCZGBMA-UHFFFAOYSA-N 1 2 244.294 1.507 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)o1 ZINC000639247749 355276379 /nfs/dbraw/zinc/27/63/79/355276379.db2.gz YLMJYELQRVMWQG-QWRGUYRKSA-N 1 2 249.314 1.226 20 0 BDADLO CO[C@H](C[NH+]1CC(OCC(F)F)C1)C1CC1 ZINC000639251012 355281688 /nfs/dbraw/zinc/28/16/88/355281688.db2.gz GNFFBEGLNOEMQE-SNVBAGLBSA-N 1 2 235.274 1.377 20 0 BDADLO CCOC1C[NH+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000639250393 355283604 /nfs/dbraw/zinc/28/36/04/355283604.db2.gz OOSNJDWBYLKMQO-SNVBAGLBSA-N 1 2 235.331 1.875 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cncs1 ZINC000335790239 355441440 /nfs/dbraw/zinc/44/14/40/355441440.db2.gz YPIMJFJZWRREKT-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cncs1 ZINC000335790239 355441444 /nfs/dbraw/zinc/44/14/44/355441444.db2.gz YPIMJFJZWRREKT-DTWKUNHWSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)CCn1cc[nH+]c1 ZINC000335823693 355545112 /nfs/dbraw/zinc/54/51/12/355545112.db2.gz BMGRNZMOXZWWLU-PHIMTYICSA-N 1 2 221.304 1.673 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000335824450 355546051 /nfs/dbraw/zinc/54/60/51/355546051.db2.gz FGWGMEZBTYWTBB-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000335824450 355546055 /nfs/dbraw/zinc/54/60/55/355546055.db2.gz FGWGMEZBTYWTBB-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087620172 355547957 /nfs/dbraw/zinc/54/79/57/355547957.db2.gz JGSLLAYMGDKULH-PSASIEDQSA-N 1 2 217.334 1.423 20 0 BDADLO C[C@H]1[N@H+](Cc2ccc(CO)o2)CCOC1(C)C ZINC000335825576 355549619 /nfs/dbraw/zinc/54/96/19/355549619.db2.gz MDNVTHBKTMPBNJ-SNVBAGLBSA-N 1 2 239.315 1.771 20 0 BDADLO C[C@H]1[N@@H+](Cc2ccc(CO)o2)CCOC1(C)C ZINC000335825576 355549622 /nfs/dbraw/zinc/54/96/22/355549622.db2.gz MDNVTHBKTMPBNJ-SNVBAGLBSA-N 1 2 239.315 1.771 20 0 BDADLO Clc1cnn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335831929 355559503 /nfs/dbraw/zinc/55/95/03/355559503.db2.gz PZZROTWMMHRABV-PHIMTYICSA-N 1 2 241.722 1.400 20 0 BDADLO Clc1cnn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335831929 355559507 /nfs/dbraw/zinc/55/95/07/355559507.db2.gz PZZROTWMMHRABV-PHIMTYICSA-N 1 2 241.722 1.400 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335818592 355509390 /nfs/dbraw/zinc/50/93/90/355509390.db2.gz UKAHOLLSKJMVEW-SECBINFHSA-N 1 2 221.304 1.698 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335818593 355509469 /nfs/dbraw/zinc/50/94/69/355509469.db2.gz UKAHOLLSKJMVEW-VIFPVBQESA-N 1 2 221.304 1.698 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccc(F)cc2)n1 ZINC000349886238 355518114 /nfs/dbraw/zinc/51/81/14/355518114.db2.gz VNGKCNAYYBMMEB-UHFFFAOYSA-N 1 2 235.262 1.713 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000639296113 355592381 /nfs/dbraw/zinc/59/23/81/355592381.db2.gz LZMXDLQQHUNRQE-CMPLNLGQSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+]1CCn2nncc2C1)OC ZINC000639296113 355592382 /nfs/dbraw/zinc/59/23/82/355592382.db2.gz LZMXDLQQHUNRQE-CMPLNLGQSA-N 1 2 238.335 1.155 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C1=CCOCC1 ZINC000335856209 355601582 /nfs/dbraw/zinc/60/15/82/355601582.db2.gz WANDCWPXLRBUKA-UHFFFAOYSA-N 1 2 243.266 1.620 20 0 BDADLO COCCC[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000349993815 355571423 /nfs/dbraw/zinc/57/14/23/355571423.db2.gz LVGNLUDNCKMNKW-SECBINFHSA-N 1 2 225.292 1.089 20 0 BDADLO COCCC[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000349993815 355571428 /nfs/dbraw/zinc/57/14/28/355571428.db2.gz LVGNLUDNCKMNKW-SECBINFHSA-N 1 2 225.292 1.089 20 0 BDADLO CC[C@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335878344 355649226 /nfs/dbraw/zinc/64/92/26/355649226.db2.gz KCPHOIKXZQZMBT-ZDUSSCGKSA-N 1 2 231.299 1.914 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1COc2ccccc21)C(=O)OC ZINC000336790083 358497585 /nfs/dbraw/zinc/49/75/85/358497585.db2.gz VVYGDIMBPMLKOH-CMPLNLGQSA-N 1 2 249.310 1.704 20 0 BDADLO c1coc([C@H]2C[N@H+](Cc3ccno3)CCO2)c1 ZINC000335861906 355625338 /nfs/dbraw/zinc/62/53/38/355625338.db2.gz PEDDLLBNOSVLED-GFCCVEGCSA-N 1 2 234.255 1.841 20 0 BDADLO c1coc([C@H]2C[N@@H+](Cc3ccno3)CCO2)c1 ZINC000335861906 355625340 /nfs/dbraw/zinc/62/53/40/355625340.db2.gz PEDDLLBNOSVLED-GFCCVEGCSA-N 1 2 234.255 1.841 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCS1 ZINC000335863827 355627890 /nfs/dbraw/zinc/62/78/90/355627890.db2.gz QTCINBCNQJKDMO-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)CC1 ZINC000583567784 355630335 /nfs/dbraw/zinc/63/03/35/355630335.db2.gz MDOTYHCAEPMPSW-XYPYZODXSA-N 1 2 235.331 1.863 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335870754 355636883 /nfs/dbraw/zinc/63/68/83/355636883.db2.gz ZDXCGJTUQQBJFA-ZCFIWIBFSA-N 1 2 247.220 1.508 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335870754 355636887 /nfs/dbraw/zinc/63/68/87/355636887.db2.gz ZDXCGJTUQQBJFA-ZCFIWIBFSA-N 1 2 247.220 1.508 20 0 BDADLO CCC[C@H](C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320924 355721391 /nfs/dbraw/zinc/72/13/91/355721391.db2.gz PJPVQFDJLWVTTC-LLVKDONJSA-N 1 2 223.320 1.551 20 0 BDADLO CCC[C@H](C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320924 355721394 /nfs/dbraw/zinc/72/13/94/355721394.db2.gz PJPVQFDJLWVTTC-LLVKDONJSA-N 1 2 223.320 1.551 20 0 BDADLO COc1cc(C[NH2+]Cc2snnc2C)on1 ZINC000639323254 355716646 /nfs/dbraw/zinc/71/66/46/355716646.db2.gz APYOWSADJWPKMO-UHFFFAOYSA-N 1 2 240.288 1.133 20 0 BDADLO COc1cc(C[NH2+]Cc2cc(C)ns2)on1 ZINC000639323668 355717587 /nfs/dbraw/zinc/71/75/87/355717587.db2.gz FPLLXWIDISGFPB-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO COc1cc(C[NH2+]Cc2cccnc2)on1 ZINC000639323751 355717701 /nfs/dbraw/zinc/71/77/01/355717701.db2.gz AIWRODNUHHNUMY-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1ccccn1 ZINC000350350312 355683543 /nfs/dbraw/zinc/68/35/43/355683543.db2.gz FMYVHBFNBHVEDK-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)nc2)[C@@H](C)C1=O ZINC000335893429 355687580 /nfs/dbraw/zinc/68/75/80/355687580.db2.gz OYWLJEGTQXITCA-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)nc2)[C@@H](C)C1=O ZINC000335893429 355687585 /nfs/dbraw/zinc/68/75/85/355687585.db2.gz OYWLJEGTQXITCA-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CO[C@H](C[NH2+]Cc1c[nH]nn1)C1CCCCC1 ZINC000639342298 355785037 /nfs/dbraw/zinc/78/50/37/355785037.db2.gz URQNBHJTCMMQEG-GFCCVEGCSA-N 1 2 238.335 1.490 20 0 BDADLO CO[C@H](C[NH2+]Cc1cn[nH]n1)C1CCCCC1 ZINC000639342298 355785039 /nfs/dbraw/zinc/78/50/39/355785039.db2.gz URQNBHJTCMMQEG-GFCCVEGCSA-N 1 2 238.335 1.490 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000639343579 355786600 /nfs/dbraw/zinc/78/66/00/355786600.db2.gz LFXKECFPQWIHCX-UHFFFAOYSA-N 1 2 246.289 1.689 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000639343579 355786601 /nfs/dbraw/zinc/78/66/01/355786601.db2.gz LFXKECFPQWIHCX-UHFFFAOYSA-N 1 2 246.289 1.689 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](OC)C1CC1 ZINC000425390367 191830102 /nfs/dbraw/zinc/83/01/02/191830102.db2.gz BCLXCYCHCGMGAU-JTQLQIEISA-N 1 2 229.320 1.343 20 0 BDADLO C[C@H](Nc1c[nH+]cc(N(C)C)c1)[C@H]1CCOC1 ZINC000639364954 355837689 /nfs/dbraw/zinc/83/76/89/355837689.db2.gz KVZFTMSXHLXVIT-QWRGUYRKSA-N 1 2 235.331 1.985 20 0 BDADLO CO[C@@H](C)CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000166778453 355841020 /nfs/dbraw/zinc/84/10/20/355841020.db2.gz DDCPATWQEYZRGV-QMMMGPOBSA-N 1 2 223.276 1.417 20 0 BDADLO COC(=O)[C@@](C)([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000536606816 355845304 /nfs/dbraw/zinc/84/53/04/355845304.db2.gz PUEXNNVXSMSLBP-YPMHNXCESA-N 1 2 241.331 1.487 20 0 BDADLO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363387 355846516 /nfs/dbraw/zinc/84/65/16/355846516.db2.gz IAYSIAOQGCIAJD-SCZZXKLOSA-N 1 2 240.376 1.815 20 0 BDADLO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363387 355846518 /nfs/dbraw/zinc/84/65/18/355846518.db2.gz IAYSIAOQGCIAJD-SCZZXKLOSA-N 1 2 240.376 1.815 20 0 BDADLO c1[nH]nnc1C[NH2+]CC1Cc2ccccc2C1 ZINC000628363421 355847257 /nfs/dbraw/zinc/84/72/57/355847257.db2.gz JMCLIGKPQROCLA-UHFFFAOYSA-N 1 2 228.299 1.309 20 0 BDADLO c1n[nH]nc1C[NH2+]CC1Cc2ccccc2C1 ZINC000628363421 355847259 /nfs/dbraw/zinc/84/72/59/355847259.db2.gz JMCLIGKPQROCLA-UHFFFAOYSA-N 1 2 228.299 1.309 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255124 355856860 /nfs/dbraw/zinc/85/68/60/355856860.db2.gz OQFGQZFREUIMRG-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1C[NH+](Cc2nncn2C)C[C@H](C)S1 ZINC000608565801 355861715 /nfs/dbraw/zinc/86/17/15/355861715.db2.gz JETZUYCRYXSJMO-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000336032348 134058698 /nfs/dbraw/zinc/05/86/98/134058698.db2.gz RHLMCATUSGWZGI-GFCCVEGCSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000336032348 134058699 /nfs/dbraw/zinc/05/86/99/134058699.db2.gz RHLMCATUSGWZGI-GFCCVEGCSA-N 1 2 231.303 1.362 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2ccc3c(n2)CCC3)n1 ZINC000639371920 355872252 /nfs/dbraw/zinc/87/22/52/355872252.db2.gz NFDRFNPLBQFJMD-UHFFFAOYSA-N 1 2 228.299 1.583 20 0 BDADLO CCC[C@@H](C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632755369 355830429 /nfs/dbraw/zinc/83/04/29/355830429.db2.gz CBWSBTJOZZBBJV-SECBINFHSA-N 1 2 245.348 1.360 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000336055044 134066093 /nfs/dbraw/zinc/06/60/93/134066093.db2.gz YVIPNOBHYKGPIQ-MNOVXSKESA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000336055044 134066094 /nfs/dbraw/zinc/06/60/94/134066094.db2.gz YVIPNOBHYKGPIQ-MNOVXSKESA-N 1 2 225.288 1.170 20 0 BDADLO Cn1ccnc1[C@H]([NH2+]C1(C)COC1)C1CC1 ZINC000639380231 355916374 /nfs/dbraw/zinc/91/63/74/355916374.db2.gz CGHZVNNWJYQQJU-SNVBAGLBSA-N 1 2 221.304 1.250 20 0 BDADLO COc1cc(C)nc(C[NH2+]C2(C)COC2)c1 ZINC000639381021 355920423 /nfs/dbraw/zinc/92/04/23/355920423.db2.gz NKBRHEXZQKEXHJ-UHFFFAOYSA-N 1 2 222.288 1.277 20 0 BDADLO COc1cc(C)[nH+]c(CNC2(C)COC2)c1 ZINC000639381021 355920426 /nfs/dbraw/zinc/92/04/26/355920426.db2.gz NKBRHEXZQKEXHJ-UHFFFAOYSA-N 1 2 222.288 1.277 20 0 BDADLO CC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000036125979 356007451 /nfs/dbraw/zinc/00/74/51/356007451.db2.gz TWKMHSGSSWYHPF-UHFFFAOYSA-N 1 2 231.299 1.871 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)C(=O)N1CCCCC1 ZINC000192294061 355978779 /nfs/dbraw/zinc/97/87/79/355978779.db2.gz YFMYIIUSMAXEHF-SNVBAGLBSA-N 1 2 237.303 1.165 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)o1 ZINC000639388299 356006142 /nfs/dbraw/zinc/00/61/42/356006142.db2.gz XCXBSSPDIKLUEM-HTRCEHHLSA-N 1 2 238.209 1.384 20 0 BDADLO CC[C@]1(O)CCC[N@H+](Cc2csnn2)C1 ZINC000639384275 355952836 /nfs/dbraw/zinc/95/28/36/355952836.db2.gz DZYYZHWEIHDSOV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@]1(O)CCC[N@@H+](Cc2csnn2)C1 ZINC000639384275 355952840 /nfs/dbraw/zinc/95/28/40/355952840.db2.gz DZYYZHWEIHDSOV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351153032 355954717 /nfs/dbraw/zinc/95/47/17/355954717.db2.gz ZIUXZGGTBPIGEH-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351153032 355954723 /nfs/dbraw/zinc/95/47/23/355954723.db2.gz ZIUXZGGTBPIGEH-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO Cn1c[nH+]cc1CNc1cnc2ccccc2n1 ZINC000192153350 355958932 /nfs/dbraw/zinc/95/89/32/355958932.db2.gz RCINUZVXMGFHFU-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623256551 355959920 /nfs/dbraw/zinc/95/99/20/355959920.db2.gz PQRKBJSEEAEJSF-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000351505990 356004965 /nfs/dbraw/zinc/00/49/65/356004965.db2.gz QRMZWSGTPSXIOO-KCJUWKMLSA-N 1 2 233.315 1.479 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000351506012 356004989 /nfs/dbraw/zinc/00/49/89/356004989.db2.gz QWDWHEHKQGDZCN-ZANVPECISA-N 1 2 229.283 1.447 20 0 BDADLO COCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608748897 355971655 /nfs/dbraw/zinc/97/16/55/355971655.db2.gz GXNOJYAAVQBPJB-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608748897 355971657 /nfs/dbraw/zinc/97/16/57/355971657.db2.gz GXNOJYAAVQBPJB-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO CCOCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608748398 355972206 /nfs/dbraw/zinc/97/22/06/355972206.db2.gz FMQKBLOSYNLAFQ-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608748398 355972210 /nfs/dbraw/zinc/97/22/10/355972210.db2.gz FMQKBLOSYNLAFQ-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CCOC(=O)c1c(C)onc1C[NH+]1CCCC1 ZINC000351285688 355973410 /nfs/dbraw/zinc/97/34/10/355973410.db2.gz DTNWJVQPOFHZRR-UHFFFAOYSA-N 1 2 238.287 1.756 20 0 BDADLO NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000308544588 181234944 /nfs/dbraw/zinc/23/49/44/181234944.db2.gz NOOOYVXYGZHDEJ-UHFFFAOYSA-N 1 2 206.236 1.029 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC2CCC1CC2 ZINC000351688661 356058428 /nfs/dbraw/zinc/05/84/28/356058428.db2.gz XLESWHCWNWTXGY-BPCQOVAHSA-N 1 2 247.342 1.968 20 0 BDADLO c1nc2n(n1)CCN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000351547605 356013550 /nfs/dbraw/zinc/01/35/50/356013550.db2.gz LEOOVFWUBCZLLE-UHFFFAOYSA-N 1 2 240.270 1.175 20 0 BDADLO CN(C)C(=O)c1ccc(C[NH+]2CC(C)(C)C2)[nH]1 ZINC000639393948 356078367 /nfs/dbraw/zinc/07/83/67/356078367.db2.gz YVSLQQDOSHRQDO-UHFFFAOYSA-N 1 2 235.331 1.558 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cocn2)CC2(CCC2)O1 ZINC000584351893 356081535 /nfs/dbraw/zinc/08/15/35/356081535.db2.gz UIZHUOWTFYZCHY-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cocn2)CC2(CCC2)O1 ZINC000584351893 356081540 /nfs/dbraw/zinc/08/15/40/356081540.db2.gz UIZHUOWTFYZCHY-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361031964 181250534 /nfs/dbraw/zinc/25/05/34/181250534.db2.gz PADRECJCDBSSLU-UHFFFAOYSA-N 1 2 236.319 1.454 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261492 356152386 /nfs/dbraw/zinc/15/23/86/356152386.db2.gz UJBONAHOQFKCHQ-INJWIWPUSA-N 1 2 231.299 1.446 20 0 BDADLO C[C@H](CO)CSc1[nH+]cnc2c1cnn2C ZINC000085138115 356162251 /nfs/dbraw/zinc/16/22/51/356162251.db2.gz FDKTXWGLXQARIP-SSDOTTSWSA-N 1 2 238.316 1.084 20 0 BDADLO COC(=O)C[N@H+](CC[C@@H](C)F)C1CC1 ZINC000351894644 356165122 /nfs/dbraw/zinc/16/51/22/356165122.db2.gz YSGVGNFYIJDCJM-MRVPVSSYSA-N 1 2 203.257 1.372 20 0 BDADLO COC(=O)C[N@@H+](CC[C@@H](C)F)C1CC1 ZINC000351894644 356165124 /nfs/dbraw/zinc/16/51/24/356165124.db2.gz YSGVGNFYIJDCJM-MRVPVSSYSA-N 1 2 203.257 1.372 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)[C@H](C)CN1C ZINC000336085889 134076658 /nfs/dbraw/zinc/07/66/58/134076658.db2.gz NFUCGILMITUMIG-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)[C@H](C)CN1C ZINC000336085889 134076659 /nfs/dbraw/zinc/07/66/59/134076659.db2.gz NFUCGILMITUMIG-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO CC1(C)C[N@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000332644001 356224765 /nfs/dbraw/zinc/22/47/65/356224765.db2.gz JQOKITPAVBCNKI-LURJTMIESA-N 1 2 247.245 1.210 20 0 BDADLO CC1(C)C[N@@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000332644001 356224769 /nfs/dbraw/zinc/22/47/69/356224769.db2.gz JQOKITPAVBCNKI-LURJTMIESA-N 1 2 247.245 1.210 20 0 BDADLO Cc1cscc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264999 356231435 /nfs/dbraw/zinc/23/14/35/356231435.db2.gz YKTAAUARYPSKIB-SECBINFHSA-N 1 2 247.323 1.608 20 0 BDADLO [NH3+]CCCCNc1nc(-c2ccccc2)ns1 ZINC000420232026 192181184 /nfs/dbraw/zinc/18/11/84/192181184.db2.gz LBKQVPCAFFVXDB-UHFFFAOYSA-N 1 2 248.355 1.778 20 0 BDADLO CCC[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623263505 356201669 /nfs/dbraw/zinc/20/16/69/356201669.db2.gz OXMFIGAEKMLXSD-DGCLKSJQSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCSC[C@H]2C)[nH]1 ZINC000336112166 134086721 /nfs/dbraw/zinc/08/67/21/134086721.db2.gz NYXKKRCEWFJXGL-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCSC[C@H]2C)[nH]1 ZINC000336112166 134086722 /nfs/dbraw/zinc/08/67/22/134086722.db2.gz NYXKKRCEWFJXGL-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO C[N@@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000639476870 356271913 /nfs/dbraw/zinc/27/19/13/356271913.db2.gz SPOFNGKFVPNRRZ-UHFFFAOYSA-N 1 2 202.204 1.484 20 0 BDADLO C[N@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000639476870 356271917 /nfs/dbraw/zinc/27/19/17/356271917.db2.gz SPOFNGKFVPNRRZ-UHFFFAOYSA-N 1 2 202.204 1.484 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639460406 356248263 /nfs/dbraw/zinc/24/82/63/356248263.db2.gz VBWQXRCLPAAQRU-CYBMUJFWSA-N 1 2 248.326 1.865 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639460406 356248264 /nfs/dbraw/zinc/24/82/64/356248264.db2.gz VBWQXRCLPAAQRU-CYBMUJFWSA-N 1 2 248.326 1.865 20 0 BDADLO O=C(CCC1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265628 356299082 /nfs/dbraw/zinc/29/90/82/356299082.db2.gz KGLURGVDCXTMIB-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO CC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000639494234 356318550 /nfs/dbraw/zinc/31/85/50/356318550.db2.gz BGNDFMKSTTWMPV-ZDUSSCGKSA-N 1 2 247.342 1.349 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000639510266 356341460 /nfs/dbraw/zinc/34/14/60/356341460.db2.gz ZTEIUXKAHCFJMF-QMMMGPOBSA-N 1 2 222.279 1.346 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000639510266 356341462 /nfs/dbraw/zinc/34/14/62/356341462.db2.gz ZTEIUXKAHCFJMF-QMMMGPOBSA-N 1 2 222.279 1.346 20 0 BDADLO CCN1CC[N@H+](Cc2cccnc2C)CC1=O ZINC000336392477 356359423 /nfs/dbraw/zinc/35/94/23/356359423.db2.gz MVRVTKLPFQKWSW-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCN1CC[N@@H+](Cc2cccnc2C)CC1=O ZINC000336392477 356359424 /nfs/dbraw/zinc/35/94/24/356359424.db2.gz MVRVTKLPFQKWSW-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1[nH+]c2ccc(F)cc2n1C ZINC000336132161 134094883 /nfs/dbraw/zinc/09/48/83/134094883.db2.gz BFQKYZVADHHEDW-WCBMZHEXSA-N 1 2 249.289 1.672 20 0 BDADLO COC1CC([N@H+](C)CC(=O)c2cccn2C)C1 ZINC000352185837 134098973 /nfs/dbraw/zinc/09/89/73/134098973.db2.gz GPRMJQVIWQKLPL-UHFFFAOYSA-N 1 2 236.315 1.317 20 0 BDADLO COC1CC([N@@H+](C)CC(=O)c2cccn2C)C1 ZINC000352185837 134098974 /nfs/dbraw/zinc/09/89/74/134098974.db2.gz GPRMJQVIWQKLPL-UHFFFAOYSA-N 1 2 236.315 1.317 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000336503921 356381733 /nfs/dbraw/zinc/38/17/33/356381733.db2.gz KOXPCGAMTDNKIA-SSDOTTSWSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000336503921 356381734 /nfs/dbraw/zinc/38/17/34/356381734.db2.gz KOXPCGAMTDNKIA-SSDOTTSWSA-N 1 2 246.763 1.999 20 0 BDADLO CCc1nc(C[NH2+][C@H](CO)C2CCCC2)no1 ZINC000352621441 356391636 /nfs/dbraw/zinc/39/16/36/356391636.db2.gz PIZOOAGFKYHVJL-SNVBAGLBSA-N 1 2 239.319 1.273 20 0 BDADLO COC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609680865 356422029 /nfs/dbraw/zinc/42/20/29/356422029.db2.gz JAQGAKADTRKYJB-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609680865 356422032 /nfs/dbraw/zinc/42/20/32/356422032.db2.gz JAQGAKADTRKYJB-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278152 356425584 /nfs/dbraw/zinc/42/55/84/356425584.db2.gz NNVLHCDPJNGOMH-SECBINFHSA-N 1 2 231.255 1.139 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)o1 ZINC000623281350 356457422 /nfs/dbraw/zinc/45/74/22/356457422.db2.gz SPCBLYZWXIAHRB-SECBINFHSA-N 1 2 231.255 1.139 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000639555606 356458315 /nfs/dbraw/zinc/45/83/15/356458315.db2.gz QDSHAUWAPRVSTO-BDAKNGLRSA-N 1 2 242.273 1.495 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000639555606 356458318 /nfs/dbraw/zinc/45/83/18/356458318.db2.gz QDSHAUWAPRVSTO-BDAKNGLRSA-N 1 2 242.273 1.495 20 0 BDADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000580386587 356442704 /nfs/dbraw/zinc/44/27/04/356442704.db2.gz PTKLBBUPEIRPHZ-SNVBAGLBSA-N 1 2 221.304 1.530 20 0 BDADLO O=C(NCCF)c1ccc2[nH+]ccn2c1 ZINC000336164779 134112816 /nfs/dbraw/zinc/11/28/16/134112816.db2.gz WFVQBPJQWURJEH-UHFFFAOYSA-N 1 2 207.208 1.034 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000302741868 181282216 /nfs/dbraw/zinc/28/22/16/181282216.db2.gz LHLIYXQAISYDAZ-LLVKDONJSA-N 1 2 238.718 1.790 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000302741868 181282217 /nfs/dbraw/zinc/28/22/17/181282217.db2.gz LHLIYXQAISYDAZ-LLVKDONJSA-N 1 2 238.718 1.790 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@H]1CC=CCC1 ZINC000193027665 356494069 /nfs/dbraw/zinc/49/40/69/356494069.db2.gz ANAZSSLCKHXNQY-JTQLQIEISA-N 1 2 219.275 1.902 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@H]1CC=CCC1 ZINC000193027665 356494072 /nfs/dbraw/zinc/49/40/72/356494072.db2.gz ANAZSSLCKHXNQY-JTQLQIEISA-N 1 2 219.275 1.902 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](CCO)CC2CC2)n1 ZINC000420908326 192269713 /nfs/dbraw/zinc/26/97/13/192269713.db2.gz WRULSWHFJHQOLH-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](CCO)CC2CC2)n1 ZINC000420908326 192269715 /nfs/dbraw/zinc/26/97/15/192269715.db2.gz WRULSWHFJHQOLH-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ncn(C)n1 ZINC000639602371 356521468 /nfs/dbraw/zinc/52/14/68/356521468.db2.gz SVCFAMVXFBCJDB-UWVGGRQHSA-N 1 2 238.335 1.281 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)[C@H]1CCOC1 ZINC000420972994 192285892 /nfs/dbraw/zinc/28/58/92/192285892.db2.gz MRYZGEVWRGTMMR-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)[C@H]1CCOC1 ZINC000420972994 192285895 /nfs/dbraw/zinc/28/58/95/192285895.db2.gz MRYZGEVWRGTMMR-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO O[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2C(F)F)C1 ZINC000420968376 192285367 /nfs/dbraw/zinc/28/53/67/192285367.db2.gz WHMWWUFCVDVVMQ-KXUCPTDWSA-N 1 2 219.275 1.877 20 0 BDADLO O[C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C(F)F)C1 ZINC000420968376 192285371 /nfs/dbraw/zinc/28/53/71/192285371.db2.gz WHMWWUFCVDVVMQ-KXUCPTDWSA-N 1 2 219.275 1.877 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000639618217 356534947 /nfs/dbraw/zinc/53/49/47/356534947.db2.gz GAXQNARICYHLCT-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000639618217 356534949 /nfs/dbraw/zinc/53/49/49/356534949.db2.gz GAXQNARICYHLCT-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)[C@@H](C)CO ZINC000420978190 192290146 /nfs/dbraw/zinc/29/01/46/192290146.db2.gz SVPLTCQASHZBMC-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)[C@@H](C)CO ZINC000420978190 192290147 /nfs/dbraw/zinc/29/01/47/192290147.db2.gz SVPLTCQASHZBMC-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000639620329 356539742 /nfs/dbraw/zinc/53/97/42/356539742.db2.gz LJRHUYYPKMYART-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000639620329 356539745 /nfs/dbraw/zinc/53/97/45/356539745.db2.gz LJRHUYYPKMYART-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC=CCC1 ZINC000623296516 356542633 /nfs/dbraw/zinc/54/26/33/356542633.db2.gz KZQIJIPJIKUGTA-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO CC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000639623453 356542957 /nfs/dbraw/zinc/54/29/57/356542957.db2.gz PROISYKTCPCTSV-GFCCVEGCSA-N 1 2 221.304 1.536 20 0 BDADLO CC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000639623453 356542960 /nfs/dbraw/zinc/54/29/60/356542960.db2.gz PROISYKTCPCTSV-GFCCVEGCSA-N 1 2 221.304 1.536 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnn2ccccc12 ZINC000179678448 366283869 /nfs/dbraw/zinc/28/38/69/366283869.db2.gz YLACTXRNGCEXDL-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnn2ccccc12 ZINC000179678448 366283872 /nfs/dbraw/zinc/28/38/72/366283872.db2.gz YLACTXRNGCEXDL-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000623297596 356550630 /nfs/dbraw/zinc/55/06/30/356550630.db2.gz INNBWRKSSZPKID-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@@]23CCOC3)n1 ZINC000421015421 192303001 /nfs/dbraw/zinc/30/30/01/192303001.db2.gz IEISQGIXGUMCHI-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@@]23CCOC3)n1 ZINC000421015421 192303003 /nfs/dbraw/zinc/30/30/03/192303003.db2.gz IEISQGIXGUMCHI-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO Cc1ncc(NC(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000639641512 356551312 /nfs/dbraw/zinc/55/13/12/356551312.db2.gz JJTQOJKBJUMSFM-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO CC(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000639639207 356551879 /nfs/dbraw/zinc/55/18/79/356551879.db2.gz SQKCQOCFENAAJG-LLVKDONJSA-N 1 2 207.277 1.526 20 0 BDADLO CC(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000639639207 356551881 /nfs/dbraw/zinc/55/18/81/356551881.db2.gz SQKCQOCFENAAJG-LLVKDONJSA-N 1 2 207.277 1.526 20 0 BDADLO CCC(F)(F)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000639644055 356557340 /nfs/dbraw/zinc/55/73/40/356557340.db2.gz RVQJOTAPEVUTNO-VIFPVBQESA-N 1 2 222.279 1.521 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639644625 356557555 /nfs/dbraw/zinc/55/75/55/356557555.db2.gz XBXQJZADBYYIBZ-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639644625 356557559 /nfs/dbraw/zinc/55/75/59/356557559.db2.gz XBXQJZADBYYIBZ-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421041774 192310591 /nfs/dbraw/zinc/31/05/91/192310591.db2.gz YRDRDFFQULCNDD-AAEUAGOBSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421041774 192310594 /nfs/dbraw/zinc/31/05/94/192310594.db2.gz YRDRDFFQULCNDD-AAEUAGOBSA-N 1 2 240.347 1.012 20 0 BDADLO CC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000639656197 356571809 /nfs/dbraw/zinc/57/18/09/356571809.db2.gz XFIQDQQBAWPEEQ-LLVKDONJSA-N 1 2 219.284 1.859 20 0 BDADLO CC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000639656197 356571814 /nfs/dbraw/zinc/57/18/14/356571814.db2.gz XFIQDQQBAWPEEQ-LLVKDONJSA-N 1 2 219.284 1.859 20 0 BDADLO CCn1cc[nH+]c1CSC[C@H]1C[C@@H](O)C1 ZINC000421226805 192315939 /nfs/dbraw/zinc/31/59/39/192315939.db2.gz OXSSJMQZUKWGHY-AOOOYVTPSA-N 1 2 226.345 1.907 20 0 BDADLO CC1(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623302382 356582552 /nfs/dbraw/zinc/58/25/52/356582552.db2.gz FEEKBSGVCXDLOI-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)co1 ZINC000623302843 356583359 /nfs/dbraw/zinc/58/33/59/356583359.db2.gz QFIMNMUPUPLMRK-LLVKDONJSA-N 1 2 245.282 1.529 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccno2)[C@@H](C)C(=O)N1C ZINC000639688126 356597484 /nfs/dbraw/zinc/59/74/84/356597484.db2.gz LPJADMQNXAWKRW-BBBLOLIVSA-N 1 2 237.303 1.114 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccno2)[C@@H](C)C(=O)N1C ZINC000639688126 356597488 /nfs/dbraw/zinc/59/74/88/356597488.db2.gz LPJADMQNXAWKRW-BBBLOLIVSA-N 1 2 237.303 1.114 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304804 356598188 /nfs/dbraw/zinc/59/81/88/356598188.db2.gz FNMQWPPZDCKBIW-SRVKXCTJSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305635 356600483 /nfs/dbraw/zinc/60/04/83/356600483.db2.gz WWPHXGHLXMFIQT-MNOVXSKESA-N 1 2 235.331 1.606 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[C@H]1C)CC2 ZINC000627213929 363509882 /nfs/dbraw/zinc/50/98/82/363509882.db2.gz TXKMWWRZVGVBQA-JLLWLGSASA-N 1 2 247.342 1.669 20 0 BDADLO CC(=O)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000639698551 356606707 /nfs/dbraw/zinc/60/67/07/356606707.db2.gz LJWLGJIIMYGRIK-LLVKDONJSA-N 1 2 211.305 1.609 20 0 BDADLO CC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000639698551 356606708 /nfs/dbraw/zinc/60/67/08/356606708.db2.gz LJWLGJIIMYGRIK-LLVKDONJSA-N 1 2 211.305 1.609 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2C[C@H](O)C23CCC3)c1 ZINC000630094600 363539235 /nfs/dbraw/zinc/53/92/35/363539235.db2.gz JIEWPJNUSGTVAZ-QWRGUYRKSA-N 1 2 234.299 1.289 20 0 BDADLO C[C@H](c1ccccc1)[C@H](O)CN1CC[NH+](C)CC1 ZINC000450243037 202106639 /nfs/dbraw/zinc/10/66/39/202106639.db2.gz QYDFMTGZVASDPL-UKRRQHHQSA-N 1 2 248.370 1.398 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@](O)(C3CC3)C2)c1 ZINC000630094758 363541023 /nfs/dbraw/zinc/54/10/23/363541023.db2.gz KSDSDVYMRRKXFT-CQSZACIVSA-N 1 2 248.326 1.315 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@]1(C)CO ZINC000630095250 363547389 /nfs/dbraw/zinc/54/73/89/363547389.db2.gz WTPGMLAZJREBMO-MFKMUULPSA-N 1 2 236.315 1.029 20 0 BDADLO OCCSCc1[nH+]ccn1CC(F)(F)F ZINC000609914925 356651995 /nfs/dbraw/zinc/65/19/95/356651995.db2.gz AHIUWFNKAGNXBQ-UHFFFAOYSA-N 1 2 240.250 1.671 20 0 BDADLO CNc1nc(N[C@@H]2C[C@@H]2C)[nH+]c2ccccc21 ZINC000450307141 202125245 /nfs/dbraw/zinc/12/52/45/202125245.db2.gz FTELQGMPIIITIT-GZMMTYOYSA-N 1 2 228.299 1.914 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(Cc2ccoc2)n1 ZINC000350659952 366317804 /nfs/dbraw/zinc/31/78/04/366317804.db2.gz TYYOVJDRFBDCSV-UHFFFAOYSA-N 1 2 244.254 1.578 20 0 BDADLO CN(CC(F)F)C(=O)CCc1[nH]cc[nH+]1 ZINC000353077786 134160216 /nfs/dbraw/zinc/16/02/16/134160216.db2.gz OICOXLQHZWSUCH-UHFFFAOYSA-N 1 2 217.219 1.066 20 0 BDADLO CCOCC[N@H+](CC)Cc1cnns1 ZINC000450390322 202150323 /nfs/dbraw/zinc/15/03/23/202150323.db2.gz MACIXXXPKBYWKA-UHFFFAOYSA-N 1 2 215.322 1.397 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cnns1 ZINC000450390322 202150326 /nfs/dbraw/zinc/15/03/26/202150326.db2.gz MACIXXXPKBYWKA-UHFFFAOYSA-N 1 2 215.322 1.397 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389471930 356683910 /nfs/dbraw/zinc/68/39/10/356683910.db2.gz SGFZACJJRMHYLI-ZETCQYMHSA-N 1 2 203.236 1.851 20 0 BDADLO CCC[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000542481491 325030306 /nfs/dbraw/zinc/03/03/06/325030306.db2.gz YKCXQDYJQLYSQA-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639778217 356722793 /nfs/dbraw/zinc/72/27/93/356722793.db2.gz QUYZDFPIUUIGLP-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639778217 356722796 /nfs/dbraw/zinc/72/27/96/356722796.db2.gz QUYZDFPIUUIGLP-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778992 356725755 /nfs/dbraw/zinc/72/57/55/356725755.db2.gz WTRMRFKJMAQDSY-NSHDSACASA-N 1 2 246.318 1.358 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778992 356725757 /nfs/dbraw/zinc/72/57/57/356725757.db2.gz WTRMRFKJMAQDSY-NSHDSACASA-N 1 2 246.318 1.358 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C1CC1 ZINC000384737466 356737272 /nfs/dbraw/zinc/73/72/72/356737272.db2.gz KVJDZBDCQUQTLO-JZSSXWJLSA-N 1 2 227.304 1.094 20 0 BDADLO C[NH+]1CCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC000623344479 356747617 /nfs/dbraw/zinc/74/76/17/356747617.db2.gz ODHMDXUBUUOBCP-UHFFFAOYSA-N 1 2 244.241 1.605 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000639798549 356759613 /nfs/dbraw/zinc/75/96/13/356759613.db2.gz HRAHCPAIQZZBBI-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000639798549 356759616 /nfs/dbraw/zinc/75/96/16/356759616.db2.gz HRAHCPAIQZZBBI-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)on1 ZINC000639840595 356836082 /nfs/dbraw/zinc/83/60/82/356836082.db2.gz ONMMDVYFAORJLX-LLVKDONJSA-N 1 2 230.271 1.802 20 0 BDADLO C[N@H+](Cc1nc(CC2CC2)no1)C1CC1 ZINC000350598760 538679318 /nfs/dbraw/zinc/67/93/18/538679318.db2.gz PUIIEVGXFCBFOC-UHFFFAOYSA-N 1 2 207.277 1.616 20 0 BDADLO C[N@@H+](Cc1nc(CC2CC2)no1)C1CC1 ZINC000350598760 538679329 /nfs/dbraw/zinc/67/93/29/538679329.db2.gz PUIIEVGXFCBFOC-UHFFFAOYSA-N 1 2 207.277 1.616 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC13CCC(CC1)C3)C2 ZINC000450472261 202177777 /nfs/dbraw/zinc/17/77/77/202177777.db2.gz WOEUZEXKPDGQQH-UHFFFAOYSA-N 1 2 246.358 1.982 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC13CCC(CC1)C3)C2 ZINC000450472261 202177780 /nfs/dbraw/zinc/17/77/80/202177780.db2.gz WOEUZEXKPDGQQH-UHFFFAOYSA-N 1 2 246.358 1.982 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(C3CCC3)no1)CC2 ZINC000639824458 356803963 /nfs/dbraw/zinc/80/39/63/356803963.db2.gz KQSSKBROEVGENW-GXFFZTMASA-N 1 2 249.314 1.294 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(C3CCC3)no1)CC2 ZINC000639824458 356803965 /nfs/dbraw/zinc/80/39/65/356803965.db2.gz KQSSKBROEVGENW-GXFFZTMASA-N 1 2 249.314 1.294 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CCO1 ZINC000639839423 356834158 /nfs/dbraw/zinc/83/41/58/356834158.db2.gz REUOZNAHOGUDQS-MNOVXSKESA-N 1 2 229.320 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)O2)CCO1 ZINC000639839423 356834160 /nfs/dbraw/zinc/83/41/60/356834160.db2.gz REUOZNAHOGUDQS-MNOVXSKESA-N 1 2 229.320 1.249 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000639836536 356822639 /nfs/dbraw/zinc/82/26/39/356822639.db2.gz IHSRTGSQWPJMRS-OLZOCXBDSA-N 1 2 243.347 1.232 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000639836536 356822642 /nfs/dbraw/zinc/82/26/42/356822642.db2.gz IHSRTGSQWPJMRS-OLZOCXBDSA-N 1 2 243.347 1.232 20 0 BDADLO CC(C)[N@H+](Cc1nnnn1C)Cc1ccccc1 ZINC000356036929 356785359 /nfs/dbraw/zinc/78/53/59/356785359.db2.gz MHMPDGIOFCFDMC-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC(C)[N@@H+](Cc1nnnn1C)Cc1ccccc1 ZINC000356036929 356785361 /nfs/dbraw/zinc/78/53/61/356785361.db2.gz MHMPDGIOFCFDMC-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC(C)C ZINC000356037747 356785409 /nfs/dbraw/zinc/78/54/09/356785409.db2.gz RAMKUXSMDUTDMI-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC(C)C ZINC000356037747 356785412 /nfs/dbraw/zinc/78/54/12/356785412.db2.gz RAMKUXSMDUTDMI-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)on1 ZINC000639840595 356836079 /nfs/dbraw/zinc/83/60/79/356836079.db2.gz ONMMDVYFAORJLX-LLVKDONJSA-N 1 2 230.271 1.802 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC2(COC2)C1 ZINC000639862777 356869461 /nfs/dbraw/zinc/86/94/61/356869461.db2.gz OARUHWKGHPYNGD-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC2(COC2)C1 ZINC000639862777 356869463 /nfs/dbraw/zinc/86/94/63/356869463.db2.gz OARUHWKGHPYNGD-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1c(C)n[nH]c1C ZINC000359310403 356888129 /nfs/dbraw/zinc/88/81/29/356888129.db2.gz SFTVGPKEFPAOEG-UHFFFAOYSA-N 1 2 248.334 1.177 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1c(C)n[nH]c1C ZINC000359310403 356888131 /nfs/dbraw/zinc/88/81/31/356888131.db2.gz SFTVGPKEFPAOEG-UHFFFAOYSA-N 1 2 248.334 1.177 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000543124724 325073074 /nfs/dbraw/zinc/07/30/74/325073074.db2.gz QMZQIJICJFGOND-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000543124724 325073077 /nfs/dbraw/zinc/07/30/77/325073077.db2.gz QMZQIJICJFGOND-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C)nc1 ZINC000361274986 356924596 /nfs/dbraw/zinc/92/45/96/356924596.db2.gz DYXAXQJEMSPOMG-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C)nc1 ZINC000361274986 356924598 /nfs/dbraw/zinc/92/45/98/356924598.db2.gz DYXAXQJEMSPOMG-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@H+](Cc1ncccn1)[C@H]1CCOC1 ZINC000361589308 356934432 /nfs/dbraw/zinc/93/44/32/356934432.db2.gz OXCIFJXAKRTDKF-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CC[N@@H+](Cc1ncccn1)[C@H]1CCOC1 ZINC000361589308 356934436 /nfs/dbraw/zinc/93/44/36/356934436.db2.gz OXCIFJXAKRTDKF-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO c1c(C[N@@H+]2C[C@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450577450 202202397 /nfs/dbraw/zinc/20/23/97/202202397.db2.gz DOPGSAYKTZFJKC-DGCLKSJQSA-N 1 2 232.331 1.672 20 0 BDADLO c1c(C[N@H+]2C[C@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450577450 202202401 /nfs/dbraw/zinc/20/24/01/202202401.db2.gz DOPGSAYKTZFJKC-DGCLKSJQSA-N 1 2 232.331 1.672 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@]23CCOC3)[nH]1 ZINC000368499840 356973409 /nfs/dbraw/zinc/97/34/09/356973409.db2.gz TVXMPXHRAAZHMA-LBPRGKRZSA-N 1 2 236.319 1.122 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@]23CCOC3)[nH]1 ZINC000368499840 356973412 /nfs/dbraw/zinc/97/34/12/356973412.db2.gz TVXMPXHRAAZHMA-LBPRGKRZSA-N 1 2 236.319 1.122 20 0 BDADLO CCOC1(C)CN(c2cc[nH+]c(C)n2)C1 ZINC000450578165 202204143 /nfs/dbraw/zinc/20/41/43/202204143.db2.gz IYXXKIZJECOYLB-UHFFFAOYSA-N 1 2 207.277 1.400 20 0 BDADLO CCOC1(C)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000450582868 202204672 /nfs/dbraw/zinc/20/46/72/202204672.db2.gz SZRITBYDONIKBG-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(CF)CCC1 ZINC000582303927 357041659 /nfs/dbraw/zinc/04/16/59/357041659.db2.gz SYYADOCYXUUJPB-UHFFFAOYSA-N 1 2 225.267 1.269 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1(CF)CCC1 ZINC000582303927 357041664 /nfs/dbraw/zinc/04/16/64/357041664.db2.gz SYYADOCYXUUJPB-UHFFFAOYSA-N 1 2 225.267 1.269 20 0 BDADLO Cc1cnccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000391844571 357134898 /nfs/dbraw/zinc/13/48/98/357134898.db2.gz XUUXOIXNVTXASQ-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CSc1ccnc(N2CCn3c[nH+]cc3C2)n1 ZINC000582424385 357144651 /nfs/dbraw/zinc/14/46/51/357144651.db2.gz GRUGZXDWFDBXRS-UHFFFAOYSA-N 1 2 247.327 1.415 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000377568529 357235763 /nfs/dbraw/zinc/23/57/63/357235763.db2.gz QSRDLFPQNBFXTR-GHMZBOCLSA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000377568529 357235766 /nfs/dbraw/zinc/23/57/66/357235766.db2.gz QSRDLFPQNBFXTR-GHMZBOCLSA-N 1 2 239.319 1.676 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(O)cc1)C1CC1 ZINC000610212767 357281280 /nfs/dbraw/zinc/28/12/80/357281280.db2.gz YWNYKEMGTZDSFT-UHFFFAOYSA-N 1 2 235.283 1.530 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(O)cc1)C1CC1 ZINC000610212767 357281284 /nfs/dbraw/zinc/28/12/84/357281284.db2.gz YWNYKEMGTZDSFT-UHFFFAOYSA-N 1 2 235.283 1.530 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)c1cnn(C)c1 ZINC000639900683 357285089 /nfs/dbraw/zinc/28/50/89/357285089.db2.gz VNMYQOKSNVXEKA-UHFFFAOYSA-N 1 2 245.286 1.214 20 0 BDADLO Cc1cc(NC(=O)N2CC=CC2)c(C)c[nH+]1 ZINC000639900705 357285734 /nfs/dbraw/zinc/28/57/34/357285734.db2.gz WFIYZKLNAIFEMS-UHFFFAOYSA-N 1 2 217.272 1.524 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc[nH+]1 ZINC000639901174 357286534 /nfs/dbraw/zinc/28/65/34/357286534.db2.gz VGWCSWLMPJHNEL-HOSYDEDBSA-N 1 2 249.314 1.499 20 0 BDADLO Cc1nn(C)cc1C[NH+]1CC2(C1)CCCO2 ZINC000628427211 357256925 /nfs/dbraw/zinc/25/69/25/357256925.db2.gz MSTOWMAJPGRDLW-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]cn2C)CCC1 ZINC000356795875 538818790 /nfs/dbraw/zinc/81/87/90/538818790.db2.gz YBKUZRAFBBWPME-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CC(C)CCN(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000582744156 357378673 /nfs/dbraw/zinc/37/86/73/357378673.db2.gz KHPXBSPOTWIQKK-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO Cn1c[nH+]cc1CNc1ccnc2ccncc21 ZINC000357589924 538829662 /nfs/dbraw/zinc/82/96/62/538829662.db2.gz BVMKNZXTNJUKSW-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO CCC(=O)C1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000582646382 357362435 /nfs/dbraw/zinc/36/24/35/357362435.db2.gz RHADKLAQQXRQEQ-UHFFFAOYSA-N 1 2 232.283 1.510 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(Cc2ccco2)n1 ZINC000357944920 538837174 /nfs/dbraw/zinc/83/71/74/538837174.db2.gz DDTWHZXMXQVBTQ-UHFFFAOYSA-N 1 2 244.254 1.578 20 0 BDADLO CC[C@@H](SC)C(=O)NC1=[NH+]CCS1 ZINC000178487359 357394348 /nfs/dbraw/zinc/39/43/48/357394348.db2.gz CKQOTIYRZKRVFI-ZCFIWIBFSA-N 1 2 218.347 1.347 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCSCC1 ZINC000582875964 357417650 /nfs/dbraw/zinc/41/76/50/357417650.db2.gz WXQXHUCXSNEJHZ-UHFFFAOYSA-N 1 2 209.318 1.647 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000582915989 357435796 /nfs/dbraw/zinc/43/57/96/357435796.db2.gz KLPYTENGCOSCPX-NHCYSSNCSA-N 1 2 235.331 1.741 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(CF)CCC1 ZINC000583025793 357456852 /nfs/dbraw/zinc/45/68/52/357456852.db2.gz MWISFIAGUYCCFE-UHFFFAOYSA-N 1 2 225.267 1.176 20 0 BDADLO COc1ccc[nH+]c1NCCC1(CO)CC1 ZINC000395830400 357456996 /nfs/dbraw/zinc/45/69/96/357456996.db2.gz YTYRPDLUTDROMM-UHFFFAOYSA-N 1 2 222.288 1.665 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000583060629 357470470 /nfs/dbraw/zinc/47/04/70/357470470.db2.gz QJKKIFZENOYMJL-WYUUTHIRSA-N 1 2 248.330 1.369 20 0 BDADLO C[N@H+](C[C@H](O)C(F)(F)F)CC1(F)CC1 ZINC000583111549 357476548 /nfs/dbraw/zinc/47/65/48/357476548.db2.gz YOKPCMNSMKRWJV-LURJTMIESA-N 1 2 215.190 1.344 20 0 BDADLO C[N@@H+](C[C@H](O)C(F)(F)F)CC1(F)CC1 ZINC000583111549 357476553 /nfs/dbraw/zinc/47/65/53/357476553.db2.gz YOKPCMNSMKRWJV-LURJTMIESA-N 1 2 215.190 1.344 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@H](CCC)C1 ZINC000131812280 325185529 /nfs/dbraw/zinc/18/55/29/325185529.db2.gz ZRJISSGJNPGBMN-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@H](CCC)C1 ZINC000131812280 325185532 /nfs/dbraw/zinc/18/55/32/325185532.db2.gz ZRJISSGJNPGBMN-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cn1 ZINC000158142690 538850652 /nfs/dbraw/zinc/85/06/52/538850652.db2.gz PMUMWDGWRJOJOM-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000188732651 357565924 /nfs/dbraw/zinc/56/59/24/357565924.db2.gz VSKDWMBTZKVVQI-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000231243572 357599754 /nfs/dbraw/zinc/59/97/54/357599754.db2.gz WZXQZAYWCRDYCH-NXEZZACHSA-N 1 2 225.292 1.425 20 0 BDADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccccc1F ZINC000189096422 357604457 /nfs/dbraw/zinc/60/44/57/357604457.db2.gz KRUWIRAAYYHCLO-JTQLQIEISA-N 1 2 236.290 1.536 20 0 BDADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1F ZINC000189096422 357604460 /nfs/dbraw/zinc/60/44/60/357604460.db2.gz KRUWIRAAYYHCLO-JTQLQIEISA-N 1 2 236.290 1.536 20 0 BDADLO CCOC(=O)[C@@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189650307 357655543 /nfs/dbraw/zinc/65/55/43/357655543.db2.gz DHAQNJIKXNRAKQ-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO CN(C)c1noc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000190972654 357735624 /nfs/dbraw/zinc/73/56/24/357735624.db2.gz XACYXDTUNHKLOB-UHFFFAOYSA-N 1 2 248.286 1.131 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191376442 357767351 /nfs/dbraw/zinc/76/73/51/357767351.db2.gz NIBCDQQVQGWJPW-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191376442 357767356 /nfs/dbraw/zinc/76/73/56/357767356.db2.gz NIBCDQQVQGWJPW-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)CCC=C(C)C)[C@@H](C)O ZINC000191966074 357807173 /nfs/dbraw/zinc/80/71/73/357807173.db2.gz OITDYOWAQMFPCI-UTUOFQBUSA-N 1 2 243.347 1.633 20 0 BDADLO C[C@@H]1C[N@H+](C[Si](C)(C)C)CCS(=O)(=O)C1 ZINC000192100414 357818122 /nfs/dbraw/zinc/81/81/22/357818122.db2.gz IUKZDTQUEYYSAA-SNVBAGLBSA-N 1 2 249.452 1.230 20 0 BDADLO C[C@@H]1C[N@@H+](C[Si](C)(C)C)CCS(=O)(=O)C1 ZINC000192100414 357818124 /nfs/dbraw/zinc/81/81/24/357818124.db2.gz IUKZDTQUEYYSAA-SNVBAGLBSA-N 1 2 249.452 1.230 20 0 BDADLO CC1(C)C[N@H+](CC(=O)NC2CC2)[C@@H]1c1ccco1 ZINC000639925245 357822373 /nfs/dbraw/zinc/82/23/73/357822373.db2.gz KNZCVYLEYHIQGM-CYBMUJFWSA-N 1 2 248.326 1.941 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)NC2CC2)[C@@H]1c1ccco1 ZINC000639925245 357822376 /nfs/dbraw/zinc/82/23/76/357822376.db2.gz KNZCVYLEYHIQGM-CYBMUJFWSA-N 1 2 248.326 1.941 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](Cc1ccccn1)C1CCC1 ZINC000191651266 357781458 /nfs/dbraw/zinc/78/14/58/357781458.db2.gz CWTRLSZKWIHZHN-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](Cc1ccccn1)C1CCC1 ZINC000191651266 357781459 /nfs/dbraw/zinc/78/14/59/357781459.db2.gz CWTRLSZKWIHZHN-LLVKDONJSA-N 1 2 248.326 1.998 20 0 BDADLO CCN(C)c1ccc(CNc2ncccn2)c[nH+]1 ZINC000191550858 357784618 /nfs/dbraw/zinc/78/46/18/357784618.db2.gz PRTYHOFONNFTON-UHFFFAOYSA-N 1 2 243.314 1.940 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)[C@@H]1c1ccco1 ZINC000639926418 357850919 /nfs/dbraw/zinc/85/09/19/357850919.db2.gz MPKDDOSANFNCKD-MWLCHTKSSA-N 1 2 234.299 1.551 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)[C@@H]1c1ccco1 ZINC000639926418 357850921 /nfs/dbraw/zinc/85/09/21/357850921.db2.gz MPKDDOSANFNCKD-MWLCHTKSSA-N 1 2 234.299 1.551 20 0 BDADLO Cn1nnc(C[NH2+][C@H]2CCc3cc(F)ccc32)n1 ZINC000398091704 357835478 /nfs/dbraw/zinc/83/54/78/357835478.db2.gz SHADNFZVKXASIS-NSHDSACASA-N 1 2 247.277 1.126 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)[C@H]1c1ccco1 ZINC000639930467 357909161 /nfs/dbraw/zinc/90/91/61/357909161.db2.gz XIZXYTYAFMQHCN-JQWIXIFHSA-N 1 2 248.326 1.941 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCCNC2=O)[C@H]1c1ccco1 ZINC000639930467 357909165 /nfs/dbraw/zinc/90/91/65/357909165.db2.gz XIZXYTYAFMQHCN-JQWIXIFHSA-N 1 2 248.326 1.941 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)no1 ZINC000639935726 357936852 /nfs/dbraw/zinc/93/68/52/357936852.db2.gz FIVXLXUNDCXIQA-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)no1 ZINC000639935726 357936857 /nfs/dbraw/zinc/93/68/57/357936857.db2.gz FIVXLXUNDCXIQA-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ncccc2O)n1 ZINC000583839729 357969582 /nfs/dbraw/zinc/96/95/82/357969582.db2.gz UZOFFMTXUNRMKI-ZETCQYMHSA-N 1 2 234.259 1.329 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000639970431 358023213 /nfs/dbraw/zinc/02/32/13/358023213.db2.gz FVHZZHFBZJQXDL-UHFFFAOYSA-N 1 2 237.332 1.510 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1c[nH]nc1C ZINC000639970431 358023215 /nfs/dbraw/zinc/02/32/15/358023215.db2.gz FVHZZHFBZJQXDL-UHFFFAOYSA-N 1 2 237.332 1.510 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cccnc1N ZINC000639970675 358024547 /nfs/dbraw/zinc/02/45/47/358024547.db2.gz IOGNHLNFSLHCAT-UHFFFAOYSA-N 1 2 231.303 1.327 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cccnc1N ZINC000639970675 358024551 /nfs/dbraw/zinc/02/45/51/358024551.db2.gz IOGNHLNFSLHCAT-UHFFFAOYSA-N 1 2 231.303 1.327 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000168886624 134247202 /nfs/dbraw/zinc/24/72/02/134247202.db2.gz WUJKMTCCWABJSG-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000168886624 134247203 /nfs/dbraw/zinc/24/72/03/134247203.db2.gz WUJKMTCCWABJSG-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cscn1 ZINC000584529447 358041905 /nfs/dbraw/zinc/04/19/05/358041905.db2.gz HZJFTLIRWAMMNM-QXFUBDJGSA-N 1 2 228.317 1.208 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)c1ccccc1F ZINC000085192013 134247752 /nfs/dbraw/zinc/24/77/52/134247752.db2.gz XGTPXLRASJCYNA-MRXNPFEDSA-N 1 2 238.287 1.867 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccccn1)C(C)C ZINC000037661386 358089676 /nfs/dbraw/zinc/08/96/76/358089676.db2.gz LGITWDFVPGXZIF-LBPRGKRZSA-N 1 2 236.315 1.411 20 0 BDADLO CC[C@]1(O)CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC000640035638 358134588 /nfs/dbraw/zinc/13/45/88/358134588.db2.gz LZSICFVZPYLYDY-KOLCDFICSA-N 1 2 241.360 1.836 20 0 BDADLO CC[C@]1(O)CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC000640035638 358134589 /nfs/dbraw/zinc/13/45/89/358134589.db2.gz LZSICFVZPYLYDY-KOLCDFICSA-N 1 2 241.360 1.836 20 0 BDADLO c1ccc2c(c1)CON(CC[NH+]1CCOCC1)C2 ZINC000640125582 358204571 /nfs/dbraw/zinc/20/45/71/358204571.db2.gz ZIDAVUXHVNOSLP-UHFFFAOYSA-N 1 2 248.326 1.266 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000450656577 202228617 /nfs/dbraw/zinc/22/86/17/202228617.db2.gz VUDDQBKXJAJHFH-QWRGUYRKSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000450656577 202228620 /nfs/dbraw/zinc/22/86/20/202228620.db2.gz VUDDQBKXJAJHFH-QWRGUYRKSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000450656577 202228624 /nfs/dbraw/zinc/22/86/24/202228624.db2.gz VUDDQBKXJAJHFH-QWRGUYRKSA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000450656577 202228627 /nfs/dbraw/zinc/22/86/27/202228627.db2.gz VUDDQBKXJAJHFH-QWRGUYRKSA-N 1 2 238.335 1.493 20 0 BDADLO CCOc1cncc(NCc2[nH+]ccn2CC)n1 ZINC000450681701 202231918 /nfs/dbraw/zinc/23/19/18/202231918.db2.gz MTLBXSRFJCRCBL-UHFFFAOYSA-N 1 2 247.302 1.704 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cnn[nH]2)C[C@@H]1O ZINC000450694705 202236251 /nfs/dbraw/zinc/23/62/51/202236251.db2.gz ORKMWZGNMFBGRG-QWRGUYRKSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@@H]1O ZINC000450694705 202236254 /nfs/dbraw/zinc/23/62/54/202236254.db2.gz ORKMWZGNMFBGRG-QWRGUYRKSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2c[nH]nn2)C[C@@H]1O ZINC000450694705 202236255 /nfs/dbraw/zinc/23/62/55/202236255.db2.gz ORKMWZGNMFBGRG-QWRGUYRKSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@@H]1O ZINC000450694705 202236258 /nfs/dbraw/zinc/23/62/58/202236258.db2.gz ORKMWZGNMFBGRG-QWRGUYRKSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](Cc2cn[nH]n2)C[C@@H]1O ZINC000450694705 202236261 /nfs/dbraw/zinc/23/62/61/202236261.db2.gz ORKMWZGNMFBGRG-QWRGUYRKSA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@@H]1O ZINC000450694705 202236264 /nfs/dbraw/zinc/23/62/64/202236264.db2.gz ORKMWZGNMFBGRG-QWRGUYRKSA-N 1 2 238.335 1.034 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000450726724 202247111 /nfs/dbraw/zinc/24/71/11/202247111.db2.gz WDWGUVXVFKVWOJ-VWYCJHECSA-N 1 2 231.336 1.325 20 0 BDADLO COC[C@@H]1CCCC[N@H+](Cc2cn[nH]n2)C1 ZINC000450765435 202259461 /nfs/dbraw/zinc/25/94/61/202259461.db2.gz WXKYXJBQNOKDSY-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@@H]1CCCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000450765435 202259465 /nfs/dbraw/zinc/25/94/65/202259465.db2.gz WXKYXJBQNOKDSY-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3nn[nH]c3C2)cs1 ZINC000578202291 366388080 /nfs/dbraw/zinc/38/80/80/366388080.db2.gz BJEQFVMQTHTVRW-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1cc(C[N@H+]2CCc3nn[nH]c3C2)cs1 ZINC000578202291 366388085 /nfs/dbraw/zinc/38/80/85/366388085.db2.gz BJEQFVMQTHTVRW-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO COc1c(N)nc[nH+]c1NC1CCCC1 ZINC000134811970 325377721 /nfs/dbraw/zinc/37/77/21/325377721.db2.gz RKCVQVKDVOVKRL-UHFFFAOYSA-N 1 2 208.265 1.422 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@@H](C(=O)[O-])C1 ZINC000229299159 358376381 /nfs/dbraw/zinc/37/63/81/358376381.db2.gz AHIVYCNUTCVVCZ-GXSJLCMTSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@@H](C(=O)[O-])C1 ZINC000229299159 358376383 /nfs/dbraw/zinc/37/63/83/358376383.db2.gz AHIVYCNUTCVVCZ-GXSJLCMTSA-N 1 2 237.303 1.105 20 0 BDADLO Cc1nc(CCc2[nH+]cccc2C)no1 ZINC000351133548 366422797 /nfs/dbraw/zinc/42/27/97/366422797.db2.gz SGSGYKOIPQOHHG-UHFFFAOYSA-N 1 2 203.245 1.867 20 0 BDADLO CCCOCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000227874244 358364508 /nfs/dbraw/zinc/36/45/08/358364508.db2.gz VVUCYBYWUISCTN-MRVPVSSYSA-N 1 2 211.265 1.014 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000351185534 366443873 /nfs/dbraw/zinc/44/38/73/366443873.db2.gz OVJTUDOVLJAPHO-QMMMGPOBSA-N 1 2 225.292 1.370 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000351185534 366443879 /nfs/dbraw/zinc/44/38/79/366443879.db2.gz OVJTUDOVLJAPHO-QMMMGPOBSA-N 1 2 225.292 1.370 20 0 BDADLO Cc1cc(C#N)ccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000387302168 363610155 /nfs/dbraw/zinc/61/01/55/363610155.db2.gz PARUUDFFTMWYDA-NSHDSACASA-N 1 2 243.310 1.187 20 0 BDADLO Cc1cc(C#N)ccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000387302168 363610162 /nfs/dbraw/zinc/61/01/62/363610162.db2.gz PARUUDFFTMWYDA-NSHDSACASA-N 1 2 243.310 1.187 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1CCCCC1 ZINC000174804925 134283461 /nfs/dbraw/zinc/28/34/61/134283461.db2.gz IGLASWCXJPFBLC-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1CCCCC1 ZINC000174804925 134283462 /nfs/dbraw/zinc/28/34/62/134283462.db2.gz IGLASWCXJPFBLC-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125795859 358543908 /nfs/dbraw/zinc/54/39/08/358543908.db2.gz SKTOQQBEAIIFNP-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO CC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125795859 358543911 /nfs/dbraw/zinc/54/39/11/358543911.db2.gz SKTOQQBEAIIFNP-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000174414151 134281731 /nfs/dbraw/zinc/28/17/31/134281731.db2.gz XFIHWNYJPJVCJW-MRVPVSSYSA-N 1 2 207.277 1.931 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000174414151 134281732 /nfs/dbraw/zinc/28/17/32/134281732.db2.gz XFIHWNYJPJVCJW-MRVPVSSYSA-N 1 2 207.277 1.931 20 0 BDADLO CC1(C)C[N@H+](Cc2cn3cccnc3n2)CCO1 ZINC000127148320 358560809 /nfs/dbraw/zinc/56/08/09/358560809.db2.gz KJOOHURFIUQVRL-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO CC1(C)C[N@@H+](Cc2cn3cccnc3n2)CCO1 ZINC000127148320 358560813 /nfs/dbraw/zinc/56/08/13/358560813.db2.gz KJOOHURFIUQVRL-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO CN(C)c1ccc(CNc2ncccn2)c[nH+]1 ZINC000046484105 358576817 /nfs/dbraw/zinc/57/68/17/358576817.db2.gz XSHRDTIWSBDCEO-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CC[N@@H+](Cc1nsc(N(C)C)n1)CC1CC1 ZINC000124889800 358529313 /nfs/dbraw/zinc/52/93/13/358529313.db2.gz SAQDDFGMWPVTFW-UHFFFAOYSA-N 1 2 240.376 1.836 20 0 BDADLO CC[N@H+](Cc1nsc(N(C)C)n1)CC1CC1 ZINC000124889800 358529316 /nfs/dbraw/zinc/52/93/16/358529316.db2.gz SAQDDFGMWPVTFW-UHFFFAOYSA-N 1 2 240.376 1.836 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](CC)C2)no1 ZINC000125383888 358537573 /nfs/dbraw/zinc/53/75/73/358537573.db2.gz YYRVJYOMGDFNRP-SECBINFHSA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](CC)C2)no1 ZINC000125383888 358537576 /nfs/dbraw/zinc/53/75/76/358537576.db2.gz YYRVJYOMGDFNRP-SECBINFHSA-N 1 2 209.293 1.864 20 0 BDADLO CC[N@H+](CCO)Cc1nc(CC(C)C)no1 ZINC000047846503 358604681 /nfs/dbraw/zinc/60/46/81/358604681.db2.gz QOQCPEUIMFQJMS-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(CC(C)C)no1 ZINC000047846503 358604683 /nfs/dbraw/zinc/60/46/83/358604683.db2.gz QOQCPEUIMFQJMS-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000130767595 358643365 /nfs/dbraw/zinc/64/33/65/358643365.db2.gz IPSVMHLSHZZBSY-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000130767595 358643370 /nfs/dbraw/zinc/64/33/70/358643370.db2.gz IPSVMHLSHZZBSY-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C)n1 ZINC000130771865 358643921 /nfs/dbraw/zinc/64/39/21/358643921.db2.gz QBVHUPDXNQDFEN-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cccc(C[N@H+]2CCOC[C@@H]2C)n1 ZINC000130771865 358643922 /nfs/dbraw/zinc/64/39/22/358643922.db2.gz QBVHUPDXNQDFEN-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO COC(=O)[C@H](C)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000048335617 358628403 /nfs/dbraw/zinc/62/84/03/358628403.db2.gz INGZKOFGLYZTLO-SECBINFHSA-N 1 2 245.319 1.069 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000048335617 358628406 /nfs/dbraw/zinc/62/84/06/358628406.db2.gz INGZKOFGLYZTLO-SECBINFHSA-N 1 2 245.319 1.069 20 0 BDADLO COC(=O)CCC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129867217 358599672 /nfs/dbraw/zinc/59/96/72/358599672.db2.gz SWYMDYRSSPERJG-SNVBAGLBSA-N 1 2 245.319 1.212 20 0 BDADLO COC(=O)CCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129867217 358599674 /nfs/dbraw/zinc/59/96/74/358599674.db2.gz SWYMDYRSSPERJG-SNVBAGLBSA-N 1 2 245.319 1.212 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)C1CCC1 ZINC000130888289 358651552 /nfs/dbraw/zinc/65/15/52/358651552.db2.gz DDQYPEUXOMTXBP-UHFFFAOYSA-N 1 2 235.331 1.955 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000130895736 358651620 /nfs/dbraw/zinc/65/16/20/358651620.db2.gz UFZCVLHPAPDGBM-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)CCc1noc(C[N@H+](C)C[C@@H](C)O)n1 ZINC000131225743 358665689 /nfs/dbraw/zinc/66/56/89/358665689.db2.gz WVCFBKQNBOVCCN-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)CCc1noc(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000131225743 358665692 /nfs/dbraw/zinc/66/56/92/358665692.db2.gz WVCFBKQNBOVCCN-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)CC1CC1 ZINC000131406272 358674926 /nfs/dbraw/zinc/67/49/26/358674926.db2.gz NZNBNIVPBXLKHJ-UHFFFAOYSA-N 1 2 235.331 1.955 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000051821685 358764482 /nfs/dbraw/zinc/76/44/82/358764482.db2.gz FEFDPHMJZKSMGL-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000051821685 358764484 /nfs/dbraw/zinc/76/44/84/358764484.db2.gz FEFDPHMJZKSMGL-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO CCN(CCO)Cc1[nH+]cc(C)c(OC)c1C ZINC000050105196 358716292 /nfs/dbraw/zinc/71/62/92/358716292.db2.gz QSNRFZCIBVEACW-UHFFFAOYSA-N 1 2 238.331 1.521 20 0 BDADLO CCCCc1noc(C[N@H+](CCO)C(C)C)n1 ZINC000050103776 358716375 /nfs/dbraw/zinc/71/63/75/358716375.db2.gz PEFVHZFJUYQSFC-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000050103776 358716379 /nfs/dbraw/zinc/71/63/79/358716379.db2.gz PEFVHZFJUYQSFC-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CNC(=O)C[NH2+]Cc1c(Cl)cccc1OC ZINC000132926350 358739263 /nfs/dbraw/zinc/73/92/63/358739263.db2.gz AQGWUIISQTYXBC-UHFFFAOYSA-N 1 2 242.706 1.184 20 0 BDADLO Cc1nnc(C[N@@H+](CCO)C(C)C)n1C1CC1 ZINC000176360755 134290668 /nfs/dbraw/zinc/29/06/68/134290668.db2.gz YVAIJYAUVJXUBH-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+](CCO)C(C)C)n1C1CC1 ZINC000176360755 134290669 /nfs/dbraw/zinc/29/06/69/134290669.db2.gz YVAIJYAUVJXUBH-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)C(=O)OC ZINC000134970741 358813468 /nfs/dbraw/zinc/81/34/68/358813468.db2.gz MXIJXVHTKXEOMY-VXGBXAGGSA-N 1 2 249.310 1.531 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134145182 358781993 /nfs/dbraw/zinc/78/19/93/358781993.db2.gz MJXARGISGJLRPN-GWCFXTLKSA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134145182 358781997 /nfs/dbraw/zinc/78/19/97/358781997.db2.gz MJXARGISGJLRPN-GWCFXTLKSA-N 1 2 249.310 1.483 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052634484 358789343 /nfs/dbraw/zinc/78/93/43/358789343.db2.gz HWYWKDXIPGOTCT-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052634484 358789346 /nfs/dbraw/zinc/78/93/46/358789346.db2.gz HWYWKDXIPGOTCT-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000052636572 358789621 /nfs/dbraw/zinc/78/96/21/358789621.db2.gz ZRCIAXKUQCYEAN-SNVBAGLBSA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000052636572 358789623 /nfs/dbraw/zinc/78/96/23/358789623.db2.gz ZRCIAXKUQCYEAN-SNVBAGLBSA-N 1 2 240.253 1.415 20 0 BDADLO Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000134491972 358791719 /nfs/dbraw/zinc/79/17/19/358791719.db2.gz YKQCJZQBIYCEJX-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000054316305 358858500 /nfs/dbraw/zinc/85/85/00/358858500.db2.gz WBXUXVXYAFYVDQ-SECBINFHSA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000054316305 358858502 /nfs/dbraw/zinc/85/85/02/358858502.db2.gz WBXUXVXYAFYVDQ-SECBINFHSA-N 1 2 209.293 1.864 20 0 BDADLO C[C@@H](O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000136518409 358880417 /nfs/dbraw/zinc/88/04/17/358880417.db2.gz KAOSJCMVSKYRGT-SECBINFHSA-N 1 2 245.282 1.406 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055058027 358880849 /nfs/dbraw/zinc/88/08/49/358880849.db2.gz POMMKMOZAFMECG-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055058027 358880850 /nfs/dbraw/zinc/88/08/50/358880850.db2.gz POMMKMOZAFMECG-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000640221211 358891568 /nfs/dbraw/zinc/89/15/68/358891568.db2.gz UUYVUOLTVJMQHX-JTQLQIEISA-N 1 2 217.276 1.231 20 0 BDADLO Clc1ccc(C[N@@H+]2CCCOCC2)cn1 ZINC000059950851 358921558 /nfs/dbraw/zinc/92/15/58/358921558.db2.gz HDDUXYIMDILCGY-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1ccc(C[N@H+]2CCCOCC2)cn1 ZINC000059950851 358921559 /nfs/dbraw/zinc/92/15/59/358921559.db2.gz HDDUXYIMDILCGY-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccccc1 ZINC000061512291 358934233 /nfs/dbraw/zinc/93/42/33/358934233.db2.gz ZWLLMQXAHJKLBI-UHFFFAOYSA-N 1 2 229.283 1.692 20 0 BDADLO C[C@H]1OCC[C@H]1C[N@@H+]1OC2CCC1CC2 ZINC000640231235 358945010 /nfs/dbraw/zinc/94/50/10/358945010.db2.gz ACNXKTNPJRSSBY-QKEWWQLBSA-N 1 2 211.305 1.970 20 0 BDADLO C[C@H]1OCC[C@H]1C[N@H+]1OC2CCC1CC2 ZINC000640231235 358945011 /nfs/dbraw/zinc/94/50/11/358945011.db2.gz ACNXKTNPJRSSBY-QKEWWQLBSA-N 1 2 211.305 1.970 20 0 BDADLO CCN1CC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000335004935 535441451 /nfs/dbraw/zinc/44/14/51/535441451.db2.gz JPFKGHRIJBLFHP-UHFFFAOYSA-N 1 2 247.298 1.483 20 0 BDADLO CCc1cc(N)nc(SC[C@H](C)CO)[nH+]1 ZINC000308845538 491138826 /nfs/dbraw/zinc/13/88/26/491138826.db2.gz PDJMKNKRYZJPTI-SSDOTTSWSA-N 1 2 227.333 1.342 20 0 BDADLO CCn1cc(N[C@H](C)c2[nH+]ccn2C)cn1 ZINC000070007647 359037619 /nfs/dbraw/zinc/03/76/19/359037619.db2.gz VMCNPDGBRIGDHJ-SECBINFHSA-N 1 2 219.292 1.810 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1F ZINC000070991404 359070155 /nfs/dbraw/zinc/07/01/55/359070155.db2.gz UZPPVYPSNOBXGA-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO CNc1ccccc1C(=O)NCc1[nH+]ccn1C ZINC000071275282 359074652 /nfs/dbraw/zinc/07/46/52/359074652.db2.gz CTYRWDUQKHGSLC-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cccc(O)c1 ZINC000071276308 359075737 /nfs/dbraw/zinc/07/57/37/359075737.db2.gz UVTCFNVFQIXVFV-UHFFFAOYSA-N 1 2 231.255 1.056 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871952 359107057 /nfs/dbraw/zinc/10/70/57/359107057.db2.gz OHZXUXUWCCNDMN-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871952 359107059 /nfs/dbraw/zinc/10/70/59/359107059.db2.gz OHZXUXUWCCNDMN-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000548190939 325440312 /nfs/dbraw/zinc/44/03/12/325440312.db2.gz WGOTYNXEIPEHFK-UWVGGRQHSA-N 1 2 221.304 1.077 20 0 BDADLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2)C1 ZINC000074902113 359133632 /nfs/dbraw/zinc/13/36/32/359133632.db2.gz LQUVFVLQMXLJMB-GFCCVEGCSA-N 1 2 249.314 1.139 20 0 BDADLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccccc2)C1 ZINC000074902113 359133636 /nfs/dbraw/zinc/13/36/36/359133636.db2.gz LQUVFVLQMXLJMB-GFCCVEGCSA-N 1 2 249.314 1.139 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000246541497 359145573 /nfs/dbraw/zinc/14/55/73/359145573.db2.gz CRUXHNMDDWLEPK-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000246541497 359145577 /nfs/dbraw/zinc/14/55/77/359145577.db2.gz CRUXHNMDDWLEPK-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247568151 359235673 /nfs/dbraw/zinc/23/56/73/359235673.db2.gz LFGACASIMQWOHF-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247568151 359235677 /nfs/dbraw/zinc/23/56/77/359235677.db2.gz LFGACASIMQWOHF-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000247703493 359242046 /nfs/dbraw/zinc/24/20/46/359242046.db2.gz RISHDICJBJSIQF-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000247703493 359242048 /nfs/dbraw/zinc/24/20/48/359242048.db2.gz RISHDICJBJSIQF-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247997140 359250926 /nfs/dbraw/zinc/25/09/26/359250926.db2.gz JZOVEPOFIQDJGH-HBNTYKKESA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000247997140 359250929 /nfs/dbraw/zinc/25/09/29/359250929.db2.gz JZOVEPOFIQDJGH-HBNTYKKESA-N 1 2 228.336 1.010 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000247988760 359251370 /nfs/dbraw/zinc/25/13/70/359251370.db2.gz JBYNOIXZSLWXTA-NXEZZACHSA-N 1 2 224.304 1.901 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000248262501 359260464 /nfs/dbraw/zinc/26/04/64/359260464.db2.gz MWALAKGUMKSJSJ-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000248262501 359260468 /nfs/dbraw/zinc/26/04/68/359260468.db2.gz MWALAKGUMKSJSJ-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247988760 359251375 /nfs/dbraw/zinc/25/13/75/359251375.db2.gz JBYNOIXZSLWXTA-NXEZZACHSA-N 1 2 224.304 1.901 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)nc1 ZINC000247311814 359211687 /nfs/dbraw/zinc/21/16/87/359211687.db2.gz LYEXQKARNJDDHX-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)nc1 ZINC000247311814 359211691 /nfs/dbraw/zinc/21/16/91/359211691.db2.gz LYEXQKARNJDDHX-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)nc1 ZINC000247311811 359211802 /nfs/dbraw/zinc/21/18/02/359211802.db2.gz LYEXQKARNJDDHX-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)nc1 ZINC000247311811 359211809 /nfs/dbraw/zinc/21/18/09/359211809.db2.gz LYEXQKARNJDDHX-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO COC(=O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258830 359276999 /nfs/dbraw/zinc/27/69/99/359276999.db2.gz RFYHQDJZUZJSSV-UHFFFAOYSA-N 1 2 234.299 1.434 20 0 BDADLO CC[C@@]1([NH2+]Cc2nnsc2Cl)CCOC1 ZINC000308903910 491139996 /nfs/dbraw/zinc/13/99/96/491139996.db2.gz BYRUPMSRLJRCTC-SECBINFHSA-N 1 2 247.751 1.850 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502706 359378564 /nfs/dbraw/zinc/37/85/64/359378564.db2.gz XDSWUAJHOJQRFE-KXUCPTDWSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502706 359378567 /nfs/dbraw/zinc/37/85/67/359378567.db2.gz XDSWUAJHOJQRFE-KXUCPTDWSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611668798 359414170 /nfs/dbraw/zinc/41/41/70/359414170.db2.gz YGGUSTGPHYMXDT-VIFPVBQESA-N 1 2 245.269 1.669 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1CC=CCC1 ZINC000611517283 359386864 /nfs/dbraw/zinc/38/68/64/359386864.db2.gz NWDSLMVJSVNNBJ-UHFFFAOYSA-N 1 2 221.256 1.828 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1CC=CCC1 ZINC000611517283 359386868 /nfs/dbraw/zinc/38/68/68/359386868.db2.gz NWDSLMVJSVNNBJ-UHFFFAOYSA-N 1 2 221.256 1.828 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000611796494 359452919 /nfs/dbraw/zinc/45/29/19/359452919.db2.gz ZWULUYKRPQIQEK-UWVGGRQHSA-N 1 2 237.303 1.149 20 0 BDADLO COc1ccc(C[N@H+](C)CC(N)=O)c(Cl)c1 ZINC000080060898 359504784 /nfs/dbraw/zinc/50/47/84/359504784.db2.gz HHNVYVOXCPPGFH-UHFFFAOYSA-N 1 2 242.706 1.266 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(N)=O)c(Cl)c1 ZINC000080060898 359504786 /nfs/dbraw/zinc/50/47/86/359504786.db2.gz HHNVYVOXCPPGFH-UHFFFAOYSA-N 1 2 242.706 1.266 20 0 BDADLO CCc1nc(NCCCc2nc[nH]n2)cc(C)[nH+]1 ZINC000290940384 359542888 /nfs/dbraw/zinc/54/28/88/359542888.db2.gz LIEZYIXRRPBAIB-UHFFFAOYSA-N 1 2 246.318 1.510 20 0 BDADLO Cc1c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cnn1C ZINC000580447369 359563534 /nfs/dbraw/zinc/56/35/34/359563534.db2.gz FYVYBXAAWPETOG-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1c(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cnn1C ZINC000580447369 359563539 /nfs/dbraw/zinc/56/35/39/359563539.db2.gz FYVYBXAAWPETOG-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO c1ccc(NCCc2cnccn2)[nH+]c1 ZINC000141307900 359592787 /nfs/dbraw/zinc/59/27/87/359592787.db2.gz PSPQIUREFHFILL-UHFFFAOYSA-N 1 2 200.245 1.526 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000612038635 359618801 /nfs/dbraw/zinc/61/88/01/359618801.db2.gz KKNWSGICSPFJHG-SNVBAGLBSA-N 1 2 247.342 1.821 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000612038635 359618806 /nfs/dbraw/zinc/61/88/06/359618806.db2.gz KKNWSGICSPFJHG-SNVBAGLBSA-N 1 2 247.342 1.821 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000057214585 359668973 /nfs/dbraw/zinc/66/89/73/359668973.db2.gz GXFCGNALIVEDAI-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO Cc1nc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc[nH+]1 ZINC000450810044 202272507 /nfs/dbraw/zinc/27/25/07/202272507.db2.gz KDACHUSICRLJGU-JHJVBQTASA-N 1 2 247.342 1.772 20 0 BDADLO C1=C(C[N@@H+]2CCc3n[nH]nc3C2)CCCC1 ZINC000450834188 202280252 /nfs/dbraw/zinc/28/02/52/202280252.db2.gz XYRGKQFRSNCKMJ-UHFFFAOYSA-N 1 2 218.304 1.663 20 0 BDADLO C1=C(C[N@H+]2CCc3n[nH]nc3C2)CCCC1 ZINC000450834188 202280254 /nfs/dbraw/zinc/28/02/54/202280254.db2.gz XYRGKQFRSNCKMJ-UHFFFAOYSA-N 1 2 218.304 1.663 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)Nc1ncccn1 ZINC000450833436 202281079 /nfs/dbraw/zinc/28/10/79/202281079.db2.gz SXRYOVQGJVTFQR-SECBINFHSA-N 1 2 217.276 1.866 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612185982 359730667 /nfs/dbraw/zinc/73/06/67/359730667.db2.gz BCSKVLYRFQTEOX-GHMZBOCLSA-N 1 2 247.342 1.773 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612185982 359730670 /nfs/dbraw/zinc/73/06/70/359730670.db2.gz BCSKVLYRFQTEOX-GHMZBOCLSA-N 1 2 247.342 1.773 20 0 BDADLO CCCc1ncc(CNc2cc[nH+]c(C)n2)o1 ZINC000450848277 202287612 /nfs/dbraw/zinc/28/76/12/202287612.db2.gz RRMGOOLQRLVHJI-UHFFFAOYSA-N 1 2 232.287 1.760 20 0 BDADLO CC1(C)COC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000450855809 202289154 /nfs/dbraw/zinc/28/91/54/202289154.db2.gz NQEKOUDGZSZSQW-JTQLQIEISA-N 1 2 233.315 1.613 20 0 BDADLO COCC[N@H+](Cc1cc[nH]n1)[C@@H]1CCO[C@@H]1C ZINC000450886117 202298579 /nfs/dbraw/zinc/29/85/79/202298579.db2.gz VTTOCLLHYLXSJS-ZYHUDNBSSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cc[nH]n1)[C@@H]1CCO[C@@H]1C ZINC000450886117 202298582 /nfs/dbraw/zinc/29/85/82/202298582.db2.gz VTTOCLLHYLXSJS-ZYHUDNBSSA-N 1 2 239.319 1.036 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C2CC2)CC1 ZINC000612406207 359833549 /nfs/dbraw/zinc/83/35/49/359833549.db2.gz IBWMJABCGRADBM-GHMZBOCLSA-N 1 2 245.326 1.582 20 0 BDADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)ns1 ZINC000578422802 366564090 /nfs/dbraw/zinc/56/40/90/366564090.db2.gz UOKHDEADTZYNEY-UHFFFAOYSA-N 1 2 248.311 1.345 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578511300 366584422 /nfs/dbraw/zinc/58/44/22/366584422.db2.gz MXXKITJBVORTTC-KGYLQXTDSA-N 1 2 245.326 1.360 20 0 BDADLO CSC1(C[N@H+](C)Cc2nncn2C)CC1 ZINC000578470547 366576565 /nfs/dbraw/zinc/57/65/65/366576565.db2.gz JTPUMANUMLRNMT-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO CSC1(C[N@@H+](C)Cc2nncn2C)CC1 ZINC000578470547 366576568 /nfs/dbraw/zinc/57/65/68/366576568.db2.gz JTPUMANUMLRNMT-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCCCO1 ZINC000613880075 363677736 /nfs/dbraw/zinc/67/77/36/363677736.db2.gz CZNCQKMJYHHHMP-JTQLQIEISA-N 1 2 249.314 1.459 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCCCO1 ZINC000613880075 363677740 /nfs/dbraw/zinc/67/77/40/363677740.db2.gz CZNCQKMJYHHHMP-JTQLQIEISA-N 1 2 249.314 1.459 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000451064296 202342903 /nfs/dbraw/zinc/34/29/03/202342903.db2.gz IARCLISKJPZVIW-GFCCVEGCSA-N 1 2 220.320 1.672 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000451064296 202342907 /nfs/dbraw/zinc/34/29/07/202342907.db2.gz IARCLISKJPZVIW-GFCCVEGCSA-N 1 2 220.320 1.672 20 0 BDADLO CCCCNC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451119327 202356862 /nfs/dbraw/zinc/35/68/62/202356862.db2.gz CRUWSEQDEYKHBG-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451119327 202356865 /nfs/dbraw/zinc/35/68/65/202356865.db2.gz CRUWSEQDEYKHBG-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO CC(C)[N@H+](CC(=O)NCC1CCC1)C1COC1 ZINC000451122313 202357150 /nfs/dbraw/zinc/35/71/50/202357150.db2.gz XNDNDKQTGCLSRW-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[N@@H+](CC(=O)NCC1CCC1)C1COC1 ZINC000451122313 202357153 /nfs/dbraw/zinc/35/71/53/202357153.db2.gz XNDNDKQTGCLSRW-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO COC(=O)c1oc(C[N@@H+]2CC[C@@H](F)C2)cc1C ZINC000451181054 202370633 /nfs/dbraw/zinc/37/06/33/202370633.db2.gz DPRAYXBSKOZEKJ-SECBINFHSA-N 1 2 241.262 1.918 20 0 BDADLO COC(=O)c1oc(C[N@H+]2CC[C@@H](F)C2)cc1C ZINC000451181054 202370637 /nfs/dbraw/zinc/37/06/37/202370637.db2.gz DPRAYXBSKOZEKJ-SECBINFHSA-N 1 2 241.262 1.918 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451187390 202373590 /nfs/dbraw/zinc/37/35/90/202373590.db2.gz NHWOAOCTFKLZIZ-VHSXEESVSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451187390 202373593 /nfs/dbraw/zinc/37/35/93/202373593.db2.gz NHWOAOCTFKLZIZ-VHSXEESVSA-N 1 2 230.327 1.724 20 0 BDADLO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](F)C1)C1CC1 ZINC000451192850 202376107 /nfs/dbraw/zinc/37/61/07/202376107.db2.gz TZNDNLQKSLXDJD-LLVKDONJSA-N 1 2 242.338 1.677 20 0 BDADLO CC(C)CN(C(=O)C[N@H+]1CC[C@@H](F)C1)C1CC1 ZINC000451192850 202376108 /nfs/dbraw/zinc/37/61/08/202376108.db2.gz TZNDNLQKSLXDJD-LLVKDONJSA-N 1 2 242.338 1.677 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000087317854 359907605 /nfs/dbraw/zinc/90/76/05/359907605.db2.gz DFGUXFAQKVNHIQ-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CCC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000087317854 359907608 /nfs/dbraw/zinc/90/76/08/359907608.db2.gz DFGUXFAQKVNHIQ-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@H]1CCO[C@H]1C)C(C)C ZINC000451219483 202382295 /nfs/dbraw/zinc/38/22/95/202382295.db2.gz UNJOXVROOFCUTF-SRVKXCTJSA-N 1 2 243.347 1.730 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)CS1 ZINC000578641876 366616824 /nfs/dbraw/zinc/61/68/24/366616824.db2.gz NRTXJIHFLLPJML-UWVGGRQHSA-N 1 2 242.388 1.338 20 0 BDADLO CC[C@@H](C[NH2+][C@H](C)c1cn[nH]c1C)OC ZINC000309186438 491145949 /nfs/dbraw/zinc/14/59/49/491145949.db2.gz OWFLZPNFFSUDGN-SCZZXKLOSA-N 1 2 211.309 1.794 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC(C)(C)CO)s1 ZINC000451260328 202388987 /nfs/dbraw/zinc/38/89/87/202388987.db2.gz ZFIIVWBJXLLAPZ-MRVPVSSYSA-N 1 2 243.376 1.858 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC(C)(C)CO)s1 ZINC000451260328 202388992 /nfs/dbraw/zinc/38/89/92/202388992.db2.gz ZFIIVWBJXLLAPZ-MRVPVSSYSA-N 1 2 243.376 1.858 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088106012 359937683 /nfs/dbraw/zinc/93/76/83/359937683.db2.gz YNUIOPZSEWCESA-UHFFFAOYSA-N 1 2 249.310 1.269 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088106012 359937687 /nfs/dbraw/zinc/93/76/87/359937687.db2.gz YNUIOPZSEWCESA-UHFFFAOYSA-N 1 2 249.310 1.269 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccncc1 ZINC000088589303 359968252 /nfs/dbraw/zinc/96/82/52/359968252.db2.gz HDGWKVJHYISSCA-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1COc2ccccc21 ZINC000088753127 359976007 /nfs/dbraw/zinc/97/60/07/359976007.db2.gz XEINFOZMOIBBBA-LLVKDONJSA-N 1 2 243.266 1.202 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1COc2ccccc21 ZINC000088753127 359976012 /nfs/dbraw/zinc/97/60/12/359976012.db2.gz XEINFOZMOIBBBA-LLVKDONJSA-N 1 2 243.266 1.202 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000088796324 359979692 /nfs/dbraw/zinc/97/96/92/359979692.db2.gz HLJOXJUXQHCTMB-ONGXEEELSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000088796324 359979694 /nfs/dbraw/zinc/97/96/94/359979694.db2.gz HLJOXJUXQHCTMB-ONGXEEELSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1cccnc1 ZINC000088795694 359979732 /nfs/dbraw/zinc/97/97/32/359979732.db2.gz GFBXABQWWYPJNS-LBPRGKRZSA-N 1 2 234.299 1.465 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1cccnc1 ZINC000088795694 359979734 /nfs/dbraw/zinc/97/97/34/359979734.db2.gz GFBXABQWWYPJNS-LBPRGKRZSA-N 1 2 234.299 1.465 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009115 360054115 /nfs/dbraw/zinc/05/41/15/360054115.db2.gz SBTGQIVDILUZGX-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009115 360054116 /nfs/dbraw/zinc/05/41/16/360054116.db2.gz SBTGQIVDILUZGX-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042464 360147007 /nfs/dbraw/zinc/14/70/07/360147007.db2.gz BNBBACSWFHRLSZ-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000092042464 360147010 /nfs/dbraw/zinc/14/70/10/360147010.db2.gz BNBBACSWFHRLSZ-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncccc1C[N@H+]1CCOC[C@H]1C ZINC000091815082 360131839 /nfs/dbraw/zinc/13/18/39/360131839.db2.gz KGPQGLDFAOYEAA-SNVBAGLBSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCOC[C@H]1C ZINC000091815082 360131840 /nfs/dbraw/zinc/13/18/40/360131840.db2.gz KGPQGLDFAOYEAA-SNVBAGLBSA-N 1 2 206.289 1.611 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000614025627 363708463 /nfs/dbraw/zinc/70/84/63/363708463.db2.gz OSRYJGPIBJXNTH-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000614025627 363708465 /nfs/dbraw/zinc/70/84/65/363708465.db2.gz OSRYJGPIBJXNTH-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO c1coc([C@H]2C[N@H+](CC3=CCCOC3)CCO2)c1 ZINC000093841751 360282205 /nfs/dbraw/zinc/28/22/05/360282205.db2.gz JLCLWNXKLPVHJX-CQSZACIVSA-N 1 2 249.310 2.000 20 0 BDADLO c1coc([C@H]2C[N@@H+](CC3=CCCOC3)CCO2)c1 ZINC000093841751 360282215 /nfs/dbraw/zinc/28/22/15/360282215.db2.gz JLCLWNXKLPVHJX-CQSZACIVSA-N 1 2 249.310 2.000 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613086041 360347273 /nfs/dbraw/zinc/34/72/73/360347273.db2.gz HORBCFDHDUKZHV-IVZWLZJFSA-N 1 2 232.283 1.584 20 0 BDADLO NC(=O)c1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000271565239 181303526 /nfs/dbraw/zinc/30/35/26/181303526.db2.gz AQBVPAMSLGMRLS-UHFFFAOYSA-N 1 2 234.274 1.845 20 0 BDADLO NC(=O)c1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000271565239 181303528 /nfs/dbraw/zinc/30/35/28/181303528.db2.gz AQBVPAMSLGMRLS-UHFFFAOYSA-N 1 2 234.274 1.845 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913814 360746412 /nfs/dbraw/zinc/74/64/12/360746412.db2.gz DNJUXEMZOKXZKH-VXGBXAGGSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913814 360746414 /nfs/dbraw/zinc/74/64/14/360746414.db2.gz DNJUXEMZOKXZKH-VXGBXAGGSA-N 1 2 242.363 1.115 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000629032545 360812766 /nfs/dbraw/zinc/81/27/66/360812766.db2.gz NOAHZFTUVHXDCY-HPOULIHZSA-N 1 2 219.288 1.207 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000629032545 360812768 /nfs/dbraw/zinc/81/27/68/360812768.db2.gz NOAHZFTUVHXDCY-HPOULIHZSA-N 1 2 219.288 1.207 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000629033468 360817458 /nfs/dbraw/zinc/81/74/58/360817458.db2.gz VRJLCDRXLLHODF-HWKXXFMVSA-N 1 2 219.288 1.216 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629128180 360891788 /nfs/dbraw/zinc/89/17/88/360891788.db2.gz QVRJHTYMSIFFAP-GHMZBOCLSA-N 1 2 249.314 1.026 20 0 BDADLO COc1cc(NCc2cc(OC)cc(C)[nH+]2)[nH]n1 ZINC000629205501 360946578 /nfs/dbraw/zinc/94/65/78/360946578.db2.gz JWTHXAQXKASHDW-UHFFFAOYSA-N 1 2 248.286 1.742 20 0 BDADLO Cc1ncc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)o1 ZINC000640399041 361195327 /nfs/dbraw/zinc/19/53/27/361195327.db2.gz FJAYRAURPAYVDA-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc(C3CCCC3)no1)C2 ZINC000640482988 361258090 /nfs/dbraw/zinc/25/80/90/361258090.db2.gz UFCAGYHUSHIXSU-ZWNOBZJWSA-N 1 2 249.314 1.294 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc(C3CCCC3)no1)C2 ZINC000640482988 361258093 /nfs/dbraw/zinc/25/80/93/361258093.db2.gz UFCAGYHUSHIXSU-ZWNOBZJWSA-N 1 2 249.314 1.294 20 0 BDADLO CC[N@@H+]1C[C@H](C)N(Cc2n[nH]c(C)n2)C[C@H]1C ZINC000428296015 201006341 /nfs/dbraw/zinc/00/63/41/201006341.db2.gz UYHRORKUIITBJT-ZJUUUORDSA-N 1 2 237.351 1.028 20 0 BDADLO CC[N@H+]1C[C@H](C)N(Cc2n[nH]c(C)n2)C[C@H]1C ZINC000428296015 201006343 /nfs/dbraw/zinc/00/63/43/201006343.db2.gz UYHRORKUIITBJT-ZJUUUORDSA-N 1 2 237.351 1.028 20 0 BDADLO CC(C)(NC(=O)c1cccnc1)c1[nH]cc[nH+]1 ZINC000579119338 366716496 /nfs/dbraw/zinc/71/64/96/366716496.db2.gz NJNMXDRSVMDURX-UHFFFAOYSA-N 1 2 230.271 1.470 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428299210 201008081 /nfs/dbraw/zinc/00/80/81/201008081.db2.gz DNRHSMPUXXZKCB-UHFFFAOYSA-N 1 2 226.324 1.396 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428299210 201008083 /nfs/dbraw/zinc/00/80/83/201008083.db2.gz DNRHSMPUXXZKCB-UHFFFAOYSA-N 1 2 226.324 1.396 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)ncn1 ZINC000428303987 201007938 /nfs/dbraw/zinc/00/79/38/201007938.db2.gz SCZUMCGIOYLOGK-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(C)ncn1 ZINC000428303987 201007941 /nfs/dbraw/zinc/00/79/41/201007941.db2.gz SCZUMCGIOYLOGK-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)CCO1 ZINC000428252774 201003374 /nfs/dbraw/zinc/00/33/74/201003374.db2.gz LEEANMBCDBKRTI-VXGBXAGGSA-N 1 2 235.331 1.957 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)CCO1 ZINC000428252774 201003377 /nfs/dbraw/zinc/00/33/77/201003377.db2.gz LEEANMBCDBKRTI-VXGBXAGGSA-N 1 2 235.331 1.957 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428380975 201010610 /nfs/dbraw/zinc/01/06/10/201010610.db2.gz NGMCHHZWSHOBNP-UHFFFAOYSA-N 1 2 228.365 1.723 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428380975 201010611 /nfs/dbraw/zinc/01/06/11/201010611.db2.gz NGMCHHZWSHOBNP-UHFFFAOYSA-N 1 2 228.365 1.723 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H](F)C1 ZINC000579245738 366744403 /nfs/dbraw/zinc/74/44/03/366744403.db2.gz PMGODKOOGLLCMI-WDEREUQCSA-N 1 2 239.294 1.670 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428429525 201016460 /nfs/dbraw/zinc/01/64/60/201016460.db2.gz HJFKAQXZKZTDRW-LBPRGKRZSA-N 1 2 238.335 1.098 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428429525 201016462 /nfs/dbraw/zinc/01/64/62/201016462.db2.gz HJFKAQXZKZTDRW-LBPRGKRZSA-N 1 2 238.335 1.098 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cccn1C ZINC000428449251 201018780 /nfs/dbraw/zinc/01/87/80/201018780.db2.gz SSENEKPUEAYSPK-ZDUSSCGKSA-N 1 2 249.358 1.468 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccn1C ZINC000428449251 201018783 /nfs/dbraw/zinc/01/87/83/201018783.db2.gz SSENEKPUEAYSPK-ZDUSSCGKSA-N 1 2 249.358 1.468 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)CC2CC2)[nH]1 ZINC000428471820 201021363 /nfs/dbraw/zinc/02/13/63/201021363.db2.gz CHERBBGZBNDYPC-UHFFFAOYSA-N 1 2 238.335 1.132 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)CC2CC2)[nH]1 ZINC000428471820 201021365 /nfs/dbraw/zinc/02/13/65/201021365.db2.gz CHERBBGZBNDYPC-UHFFFAOYSA-N 1 2 238.335 1.132 20 0 BDADLO CC(C)CCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000079573694 370672990 /nfs/dbraw/zinc/67/29/90/370672990.db2.gz CJFZXQJEKNSVTC-UHFFFAOYSA-N 1 2 238.335 1.571 20 0 BDADLO OC[C@H]([NH2+]Cc1cocn1)c1cccc(F)c1 ZINC000428878519 201048614 /nfs/dbraw/zinc/04/86/14/201048614.db2.gz ZWLLINBZIGPGPW-LBPRGKRZSA-N 1 2 236.246 1.637 20 0 BDADLO Cc1nc(N(C)[C@H]2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000428664374 201032944 /nfs/dbraw/zinc/03/29/44/201032944.db2.gz IXAFSAMTIZPXSV-ONGXEEELSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000428664374 201032946 /nfs/dbraw/zinc/03/29/46/201032946.db2.gz IXAFSAMTIZPXSV-ONGXEEELSA-N 1 2 249.362 1.871 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(N)=O ZINC000309798189 491156746 /nfs/dbraw/zinc/15/67/46/491156746.db2.gz QQJOKFNCLAPXHY-SSDOTTSWSA-N 1 2 222.292 1.060 20 0 BDADLO c1nc(CNc2ccc(N3CCCC3)c[nH+]2)co1 ZINC000428855301 201046237 /nfs/dbraw/zinc/04/62/37/201046237.db2.gz CXROFUFKAQCVQH-UHFFFAOYSA-N 1 2 244.298 1.704 20 0 BDADLO C[C@@H]1CCSCC[N@@H+]1Cc1csnn1 ZINC000191817265 361370463 /nfs/dbraw/zinc/37/04/63/361370463.db2.gz YHTXFPALZXTENJ-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CCSCC[N@H+]1Cc1csnn1 ZINC000191817265 361370468 /nfs/dbraw/zinc/37/04/68/361370468.db2.gz YHTXFPALZXTENJ-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO CC(C)[C@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275535 363767727 /nfs/dbraw/zinc/76/77/27/363767727.db2.gz LKUVRNZEPRLXDF-NSHDSACASA-N 1 2 233.271 1.290 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428959171 201053410 /nfs/dbraw/zinc/05/34/10/201053410.db2.gz FSJGYVFOQHGIHX-SECBINFHSA-N 1 2 226.324 1.395 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428959171 201053412 /nfs/dbraw/zinc/05/34/12/201053412.db2.gz FSJGYVFOQHGIHX-SECBINFHSA-N 1 2 226.324 1.395 20 0 BDADLO CC(C)NC(=O)[C@H](C)Nc1cccc[nH+]1 ZINC000162571836 361356453 /nfs/dbraw/zinc/35/64/53/361356453.db2.gz OOZQWMCPIIFXIY-VIFPVBQESA-N 1 2 207.277 1.407 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000429048536 201063805 /nfs/dbraw/zinc/06/38/05/201063805.db2.gz SBNRJNUHRINQLB-SSDOTTSWSA-N 1 2 249.240 1.077 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000429048536 201063807 /nfs/dbraw/zinc/06/38/07/201063807.db2.gz SBNRJNUHRINQLB-SSDOTTSWSA-N 1 2 249.240 1.077 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C(C)(C)COC ZINC000429261322 201087190 /nfs/dbraw/zinc/08/71/90/201087190.db2.gz FKRGTHZRRQPXCM-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C(C)(C)COC ZINC000429261322 201087194 /nfs/dbraw/zinc/08/71/94/201087194.db2.gz FKRGTHZRRQPXCM-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1nncn1C(C)C ZINC000429275356 201089090 /nfs/dbraw/zinc/08/90/90/201089090.db2.gz QEECSTCOPKQDID-UHFFFAOYSA-N 1 2 240.351 1.716 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1nncn1C(C)C ZINC000429275356 201089091 /nfs/dbraw/zinc/08/90/91/201089091.db2.gz QEECSTCOPKQDID-UHFFFAOYSA-N 1 2 240.351 1.716 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000429275954 201089322 /nfs/dbraw/zinc/08/93/22/201089322.db2.gz ROUXFRQSWVOPNG-SECBINFHSA-N 1 2 206.293 1.666 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000429275954 201089324 /nfs/dbraw/zinc/08/93/24/201089324.db2.gz ROUXFRQSWVOPNG-SECBINFHSA-N 1 2 206.293 1.666 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429244423 201083481 /nfs/dbraw/zinc/08/34/81/201083481.db2.gz GFYJYXKJLMJEFP-MWLCHTKSSA-N 1 2 249.310 1.401 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccccn2)ncn1 ZINC000309870216 491157740 /nfs/dbraw/zinc/15/77/40/491157740.db2.gz QICCPVJNUGSGHW-UHFFFAOYSA-N 1 2 214.272 1.470 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000579438139 366797788 /nfs/dbraw/zinc/79/77/88/366797788.db2.gz MBRPPEDOMQVYMW-MVWJERBFSA-N 1 2 240.303 1.438 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614378205 363798550 /nfs/dbraw/zinc/79/85/50/363798550.db2.gz CEIFPOBAESQJOV-WCABBAIRSA-N 1 2 233.315 1.429 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614378205 363798554 /nfs/dbraw/zinc/79/85/54/363798554.db2.gz CEIFPOBAESQJOV-WCABBAIRSA-N 1 2 233.315 1.429 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2CCOCC2)[nH+]1 ZINC000433769874 201193312 /nfs/dbraw/zinc/19/33/12/201193312.db2.gz YTHMEHWCQIFYOL-UHFFFAOYSA-N 1 2 232.287 1.857 20 0 BDADLO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000309949443 491158794 /nfs/dbraw/zinc/15/87/94/491158794.db2.gz FLHCRPTYKRYGFK-RDJHYZAGSA-N 1 2 223.320 1.696 20 0 BDADLO CCc1nnc(C[N@H+](C)CCSC)n1C ZINC000152334130 201195985 /nfs/dbraw/zinc/19/59/85/201195985.db2.gz OUSFJWVLDXUBLT-UHFFFAOYSA-N 1 2 228.365 1.172 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCSC)n1C ZINC000152334130 201195989 /nfs/dbraw/zinc/19/59/89/201195989.db2.gz OUSFJWVLDXUBLT-UHFFFAOYSA-N 1 2 228.365 1.172 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000161894056 201227352 /nfs/dbraw/zinc/22/73/52/201227352.db2.gz YBRQLKNQCRZQIS-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000161894056 201227356 /nfs/dbraw/zinc/22/73/56/201227356.db2.gz YBRQLKNQCRZQIS-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC(=O)[C@@H](C)SCCC[NH+]1CCOCC1 ZINC000434795844 201242052 /nfs/dbraw/zinc/24/20/52/201242052.db2.gz OSAKXLFITJXVQO-LLVKDONJSA-N 1 2 231.361 1.419 20 0 BDADLO C[C@@H](N[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000083143115 491160026 /nfs/dbraw/zinc/16/00/26/491160026.db2.gz ZDAGONGMNYCWMV-NXEZZACHSA-N 1 2 225.361 1.888 20 0 BDADLO C[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000083143115 491160027 /nfs/dbraw/zinc/16/00/27/491160027.db2.gz ZDAGONGMNYCWMV-NXEZZACHSA-N 1 2 225.361 1.888 20 0 BDADLO COc1nccnc1C[NH2+]Cc1ccc(F)cc1 ZINC000436481093 201330038 /nfs/dbraw/zinc/33/00/38/201330038.db2.gz NOLFYIHXTJYVLD-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC12CC2 ZINC000629828866 361726211 /nfs/dbraw/zinc/72/62/11/361726211.db2.gz ZVDMBEZWTVNXRC-LLVKDONJSA-N 1 2 233.315 1.580 20 0 BDADLO CCn1nccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000437963136 201380956 /nfs/dbraw/zinc/38/09/56/201380956.db2.gz NOYGHYFSRKXQPR-GFCCVEGCSA-N 1 2 245.330 1.963 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)CC1(O)CCC1 ZINC000437981187 201382072 /nfs/dbraw/zinc/38/20/72/201382072.db2.gz BLUHLGMDLBMEFX-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)CC1(O)CCC1 ZINC000437981187 201382077 /nfs/dbraw/zinc/38/20/77/201382077.db2.gz BLUHLGMDLBMEFX-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO CC1(C)COCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614431818 363817420 /nfs/dbraw/zinc/81/74/20/363817420.db2.gz GBOVCOBMIOAFNR-VIFPVBQESA-N 1 2 249.314 1.110 20 0 BDADLO CC1(C)COCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614431818 363817425 /nfs/dbraw/zinc/81/74/25/363817425.db2.gz GBOVCOBMIOAFNR-VIFPVBQESA-N 1 2 249.314 1.110 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000328192117 363856250 /nfs/dbraw/zinc/85/62/50/363856250.db2.gz AQWWKAZZBVPGCN-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO FC(F)CN1CCC[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000623626310 363838645 /nfs/dbraw/zinc/83/86/45/363838645.db2.gz RLRSWQVTAPXUAW-JTQLQIEISA-N 1 2 244.289 1.229 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnccn1 ZINC000622081939 370698574 /nfs/dbraw/zinc/69/85/74/370698574.db2.gz FZSYRRQHWGZLNA-SECBINFHSA-N 1 2 245.286 1.184 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328887944 541327949 /nfs/dbraw/zinc/32/79/49/541327949.db2.gz PUHWJCNUQQJQQA-VIFPVBQESA-N 1 2 245.286 1.153 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)CF)C2 ZINC000614884393 364031388 /nfs/dbraw/zinc/03/13/88/364031388.db2.gz GFARUIGQDUBHSJ-CBAPKCEASA-N 1 2 239.294 1.297 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CF)CC2 ZINC000614884393 364031389 /nfs/dbraw/zinc/03/13/89/364031389.db2.gz GFARUIGQDUBHSJ-CBAPKCEASA-N 1 2 239.294 1.297 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000630409502 364143100 /nfs/dbraw/zinc/14/31/00/364143100.db2.gz UTOAZGMUFAVJNZ-MRVPVSSYSA-N 1 2 222.292 1.350 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[NH+](C)CC2)s1 ZINC000630389677 364107304 /nfs/dbraw/zinc/10/73/04/364107304.db2.gz ZFNIJNHVBVDOBC-UHFFFAOYSA-N 1 2 238.356 1.753 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CC(C)(C)O ZINC000622084482 370700774 /nfs/dbraw/zinc/70/07/74/370700774.db2.gz YMWYNDHJFSPQTL-SECBINFHSA-N 1 2 239.319 1.241 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NCC1CC=CC1 ZINC000630394600 364117946 /nfs/dbraw/zinc/11/79/46/364117946.db2.gz IXDPAUZBKFLUEJ-UHFFFAOYSA-N 1 2 248.330 1.539 20 0 BDADLO CC[C@H](C(=O)N[C@H](C)c1[nH+]ccn1C)[C@H](C)O ZINC000622181716 370751611 /nfs/dbraw/zinc/75/16/11/370751611.db2.gz GCHWDMFVUSPHIO-UTLUCORTSA-N 1 2 239.319 1.004 20 0 BDADLO Cc1noc(NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000068291580 370769544 /nfs/dbraw/zinc/76/95/44/370769544.db2.gz BRNZXOIAZREELQ-UHFFFAOYSA-N 1 2 243.226 1.278 20 0 BDADLO Cc1cc(CNCc2c[nH+]c3n2CCCC3)on1 ZINC000631129985 364378418 /nfs/dbraw/zinc/37/84/18/364378418.db2.gz HGBYTPBUNGTELY-UHFFFAOYSA-N 1 2 246.314 1.806 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000135126344 364428769 /nfs/dbraw/zinc/42/87/69/364428769.db2.gz ASJANSRHNGTXFB-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnoc1C ZINC000181746391 366846159 /nfs/dbraw/zinc/84/61/59/366846159.db2.gz CCUKKGKLUGGBKB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnoc1C ZINC000181746391 366846162 /nfs/dbraw/zinc/84/61/62/366846162.db2.gz CCUKKGKLUGGBKB-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H](CO)C(C)(C)C)[nH]1 ZINC000181772024 366847120 /nfs/dbraw/zinc/84/71/20/366847120.db2.gz OSGVAWKCWCIBFA-VIFPVBQESA-N 1 2 240.351 1.206 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)[nH]1 ZINC000181772024 366847124 /nfs/dbraw/zinc/84/71/24/366847124.db2.gz OSGVAWKCWCIBFA-VIFPVBQESA-N 1 2 240.351 1.206 20 0 BDADLO CCC(CC)(CO)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615158370 364549017 /nfs/dbraw/zinc/54/90/17/364549017.db2.gz ODYMTNCPOUUNQC-SECBINFHSA-N 1 2 239.319 1.386 20 0 BDADLO O=C(CCCF)NCCCNc1cccc[nH+]1 ZINC000668896548 541370087 /nfs/dbraw/zinc/37/00/87/541370087.db2.gz WJBAOZCYYFZTHX-UHFFFAOYSA-N 1 2 239.294 1.750 20 0 BDADLO COc1ccc[nH+]c1NC[C@](C)(O)C1CC1 ZINC000309777519 364729160 /nfs/dbraw/zinc/72/91/60/364729160.db2.gz QFGGKOPCRGBOTP-LBPRGKRZSA-N 1 2 222.288 1.663 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCOC[C@H]1C ZINC000573338322 364804900 /nfs/dbraw/zinc/80/49/00/364804900.db2.gz KJTYRENDSJIJNG-PWSUYJOCSA-N 1 2 235.331 1.600 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cccc(OC)c2)[nH]1 ZINC000296127328 364782755 /nfs/dbraw/zinc/78/27/55/364782755.db2.gz UFNHNANZEUBQRE-UHFFFAOYSA-N 1 2 246.314 1.666 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000573084691 364783019 /nfs/dbraw/zinc/78/30/19/364783019.db2.gz QNGLRBAWQUMHPQ-WCQYABFASA-N 1 2 249.358 1.905 20 0 BDADLO COCCOCCN(C)c1nc(C)[nH+]cc1C ZINC000573506768 364851233 /nfs/dbraw/zinc/85/12/33/364851233.db2.gz VMTVMCUWUVVRSC-UHFFFAOYSA-N 1 2 239.319 1.193 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C=CCCC1)C(C)C ZINC000167798840 364812211 /nfs/dbraw/zinc/81/22/11/364812211.db2.gz TZMMZSLFFWRWDD-WDEREUQCSA-N 1 2 211.305 1.882 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C=CCCC1)C(C)C ZINC000167799047 364812383 /nfs/dbraw/zinc/81/23/83/364812383.db2.gz TZMMZSLFFWRWDD-GHMZBOCLSA-N 1 2 211.305 1.882 20 0 BDADLO CCCC(C)(C)NC(=O)Cc1c[nH+]cn1C ZINC000573381968 364817914 /nfs/dbraw/zinc/81/79/14/364817914.db2.gz LTPNMHYRYYDKMT-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO Cc1cnc(C)nc1N(C)Cc1ccc(N)[nH+]c1 ZINC000573386890 364822050 /nfs/dbraw/zinc/82/20/50/364822050.db2.gz SHOUVWWRWGSPSX-UHFFFAOYSA-N 1 2 243.314 1.537 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CO[C@H](C)C2)[nH+]1 ZINC000573440790 364834129 /nfs/dbraw/zinc/83/41/29/364834129.db2.gz ZVYGUPXUYTUXKU-APPZFPTMSA-N 1 2 232.287 1.856 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](F)C1 ZINC000573578139 364868751 /nfs/dbraw/zinc/86/87/51/364868751.db2.gz HLOUSZFFZJLECC-SSDOTTSWSA-N 1 2 226.255 1.006 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](F)C1 ZINC000573578139 364868756 /nfs/dbraw/zinc/86/87/56/364868756.db2.gz HLOUSZFFZJLECC-SSDOTTSWSA-N 1 2 226.255 1.006 20 0 BDADLO CO[C@@](C)(CNc1nc(C)[nH+]cc1C)C1CC1 ZINC000573695683 364894615 /nfs/dbraw/zinc/89/46/15/364894615.db2.gz CZJOLEFQVARIRE-ZDUSSCGKSA-N 1 2 235.331 1.742 20 0 BDADLO C[C@H]1OCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000336778960 541414865 /nfs/dbraw/zinc/41/48/65/541414865.db2.gz MVKWEHONMGSATK-APPZFPTMSA-N 1 2 223.276 1.214 20 0 BDADLO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1noc(C)n1 ZINC000574044252 364975201 /nfs/dbraw/zinc/97/52/01/364975201.db2.gz DBFVCCHDEGDXGB-WCBMZHEXSA-N 1 2 227.308 1.265 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(C)[nH+]cc1C ZINC000574171353 365002290 /nfs/dbraw/zinc/00/22/90/365002290.db2.gz WEOVYYFGYSUEBD-MNOVXSKESA-N 1 2 248.330 1.420 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@H]1C ZINC000379771850 365007710 /nfs/dbraw/zinc/00/77/10/365007710.db2.gz ARVIZXUORFDWCS-RQJHMYQMSA-N 1 2 208.265 1.278 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@H]1C ZINC000379771850 365007713 /nfs/dbraw/zinc/00/77/13/365007713.db2.gz ARVIZXUORFDWCS-RQJHMYQMSA-N 1 2 208.265 1.278 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(F)F ZINC000574463281 365069586 /nfs/dbraw/zinc/06/95/86/365069586.db2.gz PWKMNLXNYSXQHJ-ZETCQYMHSA-N 1 2 231.246 1.312 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(F)F ZINC000574463281 365069589 /nfs/dbraw/zinc/06/95/89/365069589.db2.gz PWKMNLXNYSXQHJ-ZETCQYMHSA-N 1 2 231.246 1.312 20 0 BDADLO CC[C@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574329184 365038776 /nfs/dbraw/zinc/03/87/76/365038776.db2.gz BBCIXHYEVMWDEW-MNOVXSKESA-N 1 2 221.304 1.845 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC1 ZINC000574529700 365084111 /nfs/dbraw/zinc/08/41/11/365084111.db2.gz YYFOSOGIZVVKOB-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC1 ZINC000574529700 365084116 /nfs/dbraw/zinc/08/41/16/365084116.db2.gz YYFOSOGIZVVKOB-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO CC(C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000574579075 365095432 /nfs/dbraw/zinc/09/54/32/365095432.db2.gz YRNCOZPVEAQLNH-UHFFFAOYSA-N 1 2 209.293 1.807 20 0 BDADLO Cc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cnn1C ZINC000574642813 365111081 /nfs/dbraw/zinc/11/10/81/365111081.db2.gz CZRAQJIYGZHRFL-VIFPVBQESA-N 1 2 247.302 1.515 20 0 BDADLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000442891102 193000708 /nfs/dbraw/zinc/00/07/08/193000708.db2.gz JATVOIFFEMMOJG-ZWNOBZJWSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000442891102 193000711 /nfs/dbraw/zinc/00/07/11/193000711.db2.gz JATVOIFFEMMOJG-ZWNOBZJWSA-N 1 2 240.347 1.154 20 0 BDADLO COc1ccc(O)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000444088291 193034871 /nfs/dbraw/zinc/03/48/71/193034871.db2.gz SJCNAMAHEPBEMC-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO COc1ccc(O)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000444088291 193034874 /nfs/dbraw/zinc/03/48/74/193034874.db2.gz SJCNAMAHEPBEMC-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@H]2CO)[nH+]1 ZINC000443525521 193023978 /nfs/dbraw/zinc/02/39/78/193023978.db2.gz YUDPEDRXGXEVHN-LDYMZIIASA-N 1 2 246.314 1.473 20 0 BDADLO COC1(C(=O)NCc2[nH]c[nH+]c2C)CCCC1 ZINC000575186931 365234482 /nfs/dbraw/zinc/23/44/82/365234482.db2.gz BVGDPSOQQYWHKH-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cccc(F)c1F ZINC000575293648 365279240 /nfs/dbraw/zinc/27/92/40/365279240.db2.gz JGSNEFFPOODXMS-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cccc(F)c1F ZINC000575293648 365279245 /nfs/dbraw/zinc/27/92/45/365279245.db2.gz JGSNEFFPOODXMS-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC1(F)F ZINC000575428991 365317873 /nfs/dbraw/zinc/31/78/73/365317873.db2.gz GKXJWHXXRDHYSY-SSDOTTSWSA-N 1 2 229.230 1.174 20 0 BDADLO CC(C)(NC(=O)c1ccncc1)c1[nH]cc[nH+]1 ZINC000579603854 366902956 /nfs/dbraw/zinc/90/29/56/366902956.db2.gz QSVDMEZZXZRVOM-UHFFFAOYSA-N 1 2 230.271 1.470 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000579844271 367047119 /nfs/dbraw/zinc/04/71/19/367047119.db2.gz QVZMJTUMVCDGGR-LDYMZIIASA-N 1 2 239.319 1.245 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000579992558 367117565 /nfs/dbraw/zinc/11/75/65/367117565.db2.gz DSKLGFJRCOHCGN-UWVGGRQHSA-N 1 2 221.304 1.220 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000622308064 370837109 /nfs/dbraw/zinc/83/71/09/370837109.db2.gz UOBIGJPAKDWDBN-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000622308064 370837112 /nfs/dbraw/zinc/83/71/12/370837112.db2.gz UOBIGJPAKDWDBN-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1O ZINC000622322502 370848127 /nfs/dbraw/zinc/84/81/27/370848127.db2.gz SEERVIZECKJUNW-VIFPVBQESA-N 1 2 245.282 1.933 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1O ZINC000622322502 370848133 /nfs/dbraw/zinc/84/81/33/370848133.db2.gz SEERVIZECKJUNW-VIFPVBQESA-N 1 2 245.282 1.933 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@@H](C)OC)o1 ZINC000581027604 367237083 /nfs/dbraw/zinc/23/70/83/367237083.db2.gz HCSWMWJWDWAICP-SECBINFHSA-N 1 2 212.293 1.704 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@@H](C)OC)o1 ZINC000581027604 367237085 /nfs/dbraw/zinc/23/70/85/367237085.db2.gz HCSWMWJWDWAICP-SECBINFHSA-N 1 2 212.293 1.704 20 0 BDADLO C[C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000581173835 367282202 /nfs/dbraw/zinc/28/22/02/367282202.db2.gz GEEGOUYUDNVWGJ-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCC(=O)C1 ZINC000581194035 367291028 /nfs/dbraw/zinc/29/10/28/367291028.db2.gz XLFPQWIUFCAKKU-QMMMGPOBSA-N 1 2 234.255 1.398 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCC(C)(C)O)C1CC1 ZINC000381737999 367452727 /nfs/dbraw/zinc/45/27/27/367452727.db2.gz OOEJMKTXUFBENE-GFCCVEGCSA-N 1 2 229.320 1.079 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000581499059 367526378 /nfs/dbraw/zinc/52/63/78/367526378.db2.gz RSFHFUGVQWUMMZ-BDAKNGLRSA-N 1 2 225.292 1.402 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N1CCCO1 ZINC000581521505 367537346 /nfs/dbraw/zinc/53/73/46/367537346.db2.gz AHCZZXOPLMPGOA-UHFFFAOYSA-N 1 2 238.291 1.010 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1CC(F)(F)C1 ZINC000622361319 370868273 /nfs/dbraw/zinc/86/82/73/370868273.db2.gz BRGJGWFOHVTLPV-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CCCCO ZINC000384924055 367758571 /nfs/dbraw/zinc/75/85/71/367758571.db2.gz FGXBSVLMEHTEFW-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CCCCO ZINC000384924055 367758579 /nfs/dbraw/zinc/75/85/79/367758579.db2.gz FGXBSVLMEHTEFW-UHFFFAOYSA-N 1 2 226.324 1.063 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C(C)(C)CC ZINC000622380374 370879014 /nfs/dbraw/zinc/87/90/14/370879014.db2.gz GZBGFDTXNKUFPM-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C(C)(C)CC ZINC000622380374 370879019 /nfs/dbraw/zinc/87/90/19/370879019.db2.gz GZBGFDTXNKUFPM-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000581734506 367798699 /nfs/dbraw/zinc/79/86/99/367798699.db2.gz NBHXLCRFLQOILA-ZETCQYMHSA-N 1 2 221.264 1.294 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000581734506 367798711 /nfs/dbraw/zinc/79/87/11/367798711.db2.gz NBHXLCRFLQOILA-ZETCQYMHSA-N 1 2 221.264 1.294 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000581734505 367798766 /nfs/dbraw/zinc/79/87/66/367798766.db2.gz NBHXLCRFLQOILA-SSDOTTSWSA-N 1 2 221.264 1.294 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000581734505 367798772 /nfs/dbraw/zinc/79/87/72/367798772.db2.gz NBHXLCRFLQOILA-SSDOTTSWSA-N 1 2 221.264 1.294 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000581862581 367851509 /nfs/dbraw/zinc/85/15/09/367851509.db2.gz JNBODYQYOCZPQG-HTQZYQBOSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000581862581 367851515 /nfs/dbraw/zinc/85/15/15/367851515.db2.gz JNBODYQYOCZPQG-HTQZYQBOSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000581862584 367851871 /nfs/dbraw/zinc/85/18/71/367851871.db2.gz JNBODYQYOCZPQG-YUMQZZPRSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000581862584 367851872 /nfs/dbraw/zinc/85/18/72/367851872.db2.gz JNBODYQYOCZPQG-YUMQZZPRSA-N 1 2 227.333 1.456 20 0 BDADLO CCC[C@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000385820486 367868703 /nfs/dbraw/zinc/86/87/03/367868703.db2.gz UMXGVRHAJPBQIN-VIFPVBQESA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000385820486 367868707 /nfs/dbraw/zinc/86/87/07/367868707.db2.gz UMXGVRHAJPBQIN-VIFPVBQESA-N 1 2 207.264 1.877 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000581918061 367904622 /nfs/dbraw/zinc/90/46/22/367904622.db2.gz OWEGYPNAVFNYMM-NSHDSACASA-N 1 2 221.304 1.388 20 0 BDADLO COc1ccc[nH+]c1NCCC(C)(C)CO ZINC000386233035 367935181 /nfs/dbraw/zinc/93/51/81/367935181.db2.gz GZPUEYWRMPXYBD-UHFFFAOYSA-N 1 2 224.304 1.911 20 0 BDADLO CCc1nc(C)c(C[NH2+][C@@H]2CCn3ccnc32)o1 ZINC000386270975 367943343 /nfs/dbraw/zinc/94/33/43/367943343.db2.gz XGDVYAOAJIVVOL-SNVBAGLBSA-N 1 2 246.314 1.977 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CC12CCOCC2)C(=O)OC ZINC000387007516 368041668 /nfs/dbraw/zinc/04/16/68/368041668.db2.gz MZGNECAKIHLBLO-VHSXEESVSA-N 1 2 227.304 1.097 20 0 BDADLO CC[C@H](Nc1nc[nH+]c(N)c1Cl)[C@H](C)O ZINC000386721653 368013075 /nfs/dbraw/zinc/01/30/75/368013075.db2.gz SEBLTJHAIYIIAI-WDSKDSINSA-N 1 2 230.699 1.284 20 0 BDADLO CC[C@H](Nc1[nH+]cnc(N)c1Cl)[C@H](C)O ZINC000386721653 368013077 /nfs/dbraw/zinc/01/30/77/368013077.db2.gz SEBLTJHAIYIIAI-WDSKDSINSA-N 1 2 230.699 1.284 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000399505750 368171134 /nfs/dbraw/zinc/17/11/34/368171134.db2.gz JAXJORBGVJXHAR-XLPZGREQSA-N 1 2 221.308 1.073 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@@H](C)[C@H]2C)[nH+]1 ZINC000399505750 368171140 /nfs/dbraw/zinc/17/11/40/368171140.db2.gz JAXJORBGVJXHAR-XLPZGREQSA-N 1 2 221.308 1.073 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000615707853 368216834 /nfs/dbraw/zinc/21/68/34/368216834.db2.gz AKAXJRYTKCXGEO-QJPTWQEYSA-N 1 2 247.342 1.955 20 0 BDADLO CC(C)CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046888575 368453387 /nfs/dbraw/zinc/45/33/87/368453387.db2.gz WJMBAHNRXXOSBB-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(C)c1noc(Cn2cc[nH+]c2)n1 ZINC000063483790 368585712 /nfs/dbraw/zinc/58/57/12/368585712.db2.gz QUBCDDUQDSPCIS-UHFFFAOYSA-N 1 2 206.249 1.612 20 0 BDADLO CC[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000063705748 368592555 /nfs/dbraw/zinc/59/25/55/368592555.db2.gz YOFJMQHDHPTZKY-SNVBAGLBSA-N 1 2 221.304 1.656 20 0 BDADLO Cc1scc(C[NH2+]Cc2nnn(C)n2)c1C ZINC000399816454 368603010 /nfs/dbraw/zinc/60/30/10/368603010.db2.gz QJTHQMXTTDYBBV-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1cc[nH]n1 ZINC000567154480 326125276 /nfs/dbraw/zinc/12/52/76/326125276.db2.gz UKBZVZPKZIYLOI-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO Cc1ncccc1NC(=O)Cc1c[nH+]cn1C ZINC000622405176 370901855 /nfs/dbraw/zinc/90/18/55/370901855.db2.gz IOAJASREDGWTBX-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO CCCn1c(C)nnc1C[NH+]1CCSCC1 ZINC000154049287 326126615 /nfs/dbraw/zinc/12/66/15/326126615.db2.gz QLZRLIHLRPXIHH-UHFFFAOYSA-N 1 2 240.376 1.545 20 0 BDADLO COC(=O)[C@H]([NH2+]CC(C(C)C)C(C)C)[C@H](C)O ZINC000567130128 326121787 /nfs/dbraw/zinc/12/17/87/326121787.db2.gz XLYLVBFUVHESMH-CMPLNLGQSA-N 1 2 245.363 1.427 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC12CC2 ZINC000622448802 370925961 /nfs/dbraw/zinc/92/59/61/370925961.db2.gz TVYBFNNFANQKSL-LLVKDONJSA-N 1 2 233.315 1.532 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000072621211 368775254 /nfs/dbraw/zinc/77/52/54/368775254.db2.gz WVXJVXMHPJLIOV-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1ccccc1CNC(=O)CCn1cc[nH+]c1 ZINC000072656647 368776767 /nfs/dbraw/zinc/77/67/67/368776767.db2.gz VCICYRUCPRSTOB-UHFFFAOYSA-N 1 2 243.310 1.898 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000073073056 368792279 /nfs/dbraw/zinc/79/22/79/368792279.db2.gz JBDDOYLCIZWPDF-QWHCGFSZSA-N 1 2 241.294 1.555 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073056981 368792299 /nfs/dbraw/zinc/79/22/99/368792299.db2.gz DJEGFIXLOQLFIY-NXEZZACHSA-N 1 2 209.293 1.434 20 0 BDADLO CC(C)C(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457845200 203111867 /nfs/dbraw/zinc/11/18/67/203111867.db2.gz AHTZCHLTPPRKIF-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO CCC[C@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457860554 203112807 /nfs/dbraw/zinc/11/28/07/203112807.db2.gz ONLJHFINNMCCPU-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO CCC[C@@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457860553 203113094 /nfs/dbraw/zinc/11/30/94/203113094.db2.gz ONLJHFINNMCCPU-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CCC(CC)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457853286 203111476 /nfs/dbraw/zinc/11/14/76/203111476.db2.gz JHCHGZHBUWHVOX-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(C)CCCC2)c1 ZINC000457855277 203114073 /nfs/dbraw/zinc/11/40/73/203114073.db2.gz KQRZVADZQQFDDI-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457872202 203114695 /nfs/dbraw/zinc/11/46/95/203114695.db2.gz NSJMRDAYKRWBAR-FZMZJTMJSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457873956 203115508 /nfs/dbraw/zinc/11/55/08/203115508.db2.gz QGCIHADZRZDYBU-DGCLKSJQSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457873957 203115978 /nfs/dbraw/zinc/11/59/78/203115978.db2.gz QGCIHADZRZDYBU-WCQYABFASA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000457991229 203124119 /nfs/dbraw/zinc/12/41/19/203124119.db2.gz MFQQWZHUZBVQCV-VXGBXAGGSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@@H](COC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567504954 326206223 /nfs/dbraw/zinc/20/62/23/326206223.db2.gz HKOMIFSPMIWXBG-QWRGUYRKSA-N 1 2 239.319 1.375 20 0 BDADLO Cc1cccn2c(NC(=O)C(C)(C)CO)c[nH+]c12 ZINC000619014647 369257227 /nfs/dbraw/zinc/25/72/27/369257227.db2.gz RGCAJDPDQADOMB-UHFFFAOYSA-N 1 2 247.298 1.600 20 0 BDADLO Cc1cccn2c(NC(=O)[C@H](O)C3CC3)c[nH+]c12 ZINC000619016051 369258711 /nfs/dbraw/zinc/25/87/11/369258711.db2.gz USLQHVXCCUDFCR-LLVKDONJSA-N 1 2 245.282 1.352 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC(C)(C)CF ZINC000459001758 203220038 /nfs/dbraw/zinc/22/00/38/203220038.db2.gz ILIXDOOAYHXKJR-UHFFFAOYSA-N 1 2 242.298 1.450 20 0 BDADLO COC(=O)C[N@H+](C)CCOCC1CCCC1 ZINC000459284897 203247386 /nfs/dbraw/zinc/24/73/86/203247386.db2.gz GGJCOMOVBXALKK-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO COC(=O)C[N@@H+](C)CCOCC1CCCC1 ZINC000459284897 203247388 /nfs/dbraw/zinc/24/73/88/203247388.db2.gz GGJCOMOVBXALKK-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnnn1CC ZINC000459301678 203250435 /nfs/dbraw/zinc/25/04/35/203250435.db2.gz MRVSWPWFADUHTB-WDEREUQCSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnnn1CC ZINC000459301678 203250438 /nfs/dbraw/zinc/25/04/38/203250438.db2.gz MRVSWPWFADUHTB-WDEREUQCSA-N 1 2 238.335 1.297 20 0 BDADLO CCN1CC[N@@H+](C2CC(OC(C)C)C2)CC1=O ZINC000459401066 203274563 /nfs/dbraw/zinc/27/45/63/203274563.db2.gz LPLPFYAFWXCYRM-UHFFFAOYSA-N 1 2 240.347 1.107 20 0 BDADLO CCN1CC[N@H+](C2CC(OC(C)C)C2)CC1=O ZINC000459401066 203274568 /nfs/dbraw/zinc/27/45/68/203274568.db2.gz LPLPFYAFWXCYRM-UHFFFAOYSA-N 1 2 240.347 1.107 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619366464 369326860 /nfs/dbraw/zinc/32/68/60/369326860.db2.gz GVFWBNMBKYHHBI-NXEZZACHSA-N 1 2 219.288 1.211 20 0 BDADLO CCc1ncc(C[NH+]2CC(C)(OC)C2)s1 ZINC000459586849 203308104 /nfs/dbraw/zinc/30/81/04/203308104.db2.gz PRWRWNVSSKETBC-UHFFFAOYSA-N 1 2 226.345 1.926 20 0 BDADLO CC[C@](COC)([NH2+]CCC(C)C)C(=O)OC ZINC000459583801 203308242 /nfs/dbraw/zinc/30/82/42/203308242.db2.gz GDTIHTOPYPXKCF-GFCCVEGCSA-N 1 2 231.336 1.590 20 0 BDADLO COCc1ccc(C[NH+]2CC(C)(OC)C2)o1 ZINC000459592488 203309226 /nfs/dbraw/zinc/30/92/26/203309226.db2.gz UPQSMONFPPBOAH-UHFFFAOYSA-N 1 2 225.288 1.647 20 0 BDADLO COCCCOC1C[NH+](Cc2cccn2C)C1 ZINC000459599281 203311445 /nfs/dbraw/zinc/31/14/45/203311445.db2.gz XPBHAKZLAHNGNK-UHFFFAOYSA-N 1 2 238.331 1.262 20 0 BDADLO COC(=O)Cc1cccc(NCC2(F)CC2)[nH+]1 ZINC000619430827 369348813 /nfs/dbraw/zinc/34/88/13/369348813.db2.gz SSEVBBJLXKZWIT-UHFFFAOYSA-N 1 2 238.262 1.711 20 0 BDADLO OCCC1C[NH+](Cc2cc(F)c(F)cc2F)C1 ZINC000459597581 203312985 /nfs/dbraw/zinc/31/29/85/203312985.db2.gz VIIFYYYARZEQGN-UHFFFAOYSA-N 1 2 245.244 1.918 20 0 BDADLO CC[C@@](COC)([NH2+]CCC(C)(C)C)C(=O)OC ZINC000459553910 203298328 /nfs/dbraw/zinc/29/83/28/203298328.db2.gz CGQNKGDBMYJMDV-ZDUSSCGKSA-N 1 2 245.363 1.980 20 0 BDADLO CC(=O)NC1C[NH+](C/C=C\c2ccccc2)C1 ZINC000459552742 203299411 /nfs/dbraw/zinc/29/94/11/203299411.db2.gz BFXLCBRPVMGTSE-YVMONPNESA-N 1 2 230.311 1.520 20 0 BDADLO CC/C=C\CC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459565049 203304511 /nfs/dbraw/zinc/30/45/11/203304511.db2.gz XOASRVGTEPZBKD-MEJMFZKBSA-N 1 2 243.347 1.901 20 0 BDADLO Cc1ccc(O)c(C[NH+]2CC(OC(F)F)C2)n1 ZINC000459629337 203325047 /nfs/dbraw/zinc/32/50/47/203325047.db2.gz MXGTVFHDSZUIJI-UHFFFAOYSA-N 1 2 244.241 1.519 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC000619512416 369454855 /nfs/dbraw/zinc/45/48/55/369454855.db2.gz VJXONLQUZVGRLY-LLVKDONJSA-N 1 2 249.310 1.753 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000619512416 369454857 /nfs/dbraw/zinc/45/48/57/369454857.db2.gz VJXONLQUZVGRLY-LLVKDONJSA-N 1 2 249.310 1.753 20 0 BDADLO Cn1cccc1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459697251 203338512 /nfs/dbraw/zinc/33/85/12/203338512.db2.gz HWBDYNADXYEILK-UHFFFAOYSA-N 1 2 247.346 1.731 20 0 BDADLO CCCCc1cc(NC[C@H]2CCCO2)nc[nH+]1 ZINC000631030526 370962074 /nfs/dbraw/zinc/96/20/74/370962074.db2.gz UFGDCDBDKCCYHV-GFCCVEGCSA-N 1 2 235.331 1.832 20 0 BDADLO C[C@@H]1CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000619660921 369514057 /nfs/dbraw/zinc/51/40/57/369514057.db2.gz FORFQTGBTUTHPM-SNVBAGLBSA-N 1 2 248.330 1.451 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OCC ZINC000459782353 203367359 /nfs/dbraw/zinc/36/73/59/203367359.db2.gz URPFRRUQMBLLRE-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1noc(C)c1[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000073130192 369546109 /nfs/dbraw/zinc/54/61/09/369546109.db2.gz OGHREKIXSDUCHT-ZCFIWIBFSA-N 1 2 248.286 1.814 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@](C)(O)C1 ZINC000157485532 326278004 /nfs/dbraw/zinc/27/80/04/326278004.db2.gz KGEKEBPVJYQONU-LBPRGKRZSA-N 1 2 222.288 1.441 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]2(C)CC2(C)C)c[nH+]1 ZINC000620080466 369717703 /nfs/dbraw/zinc/71/77/03/369717703.db2.gz ORUJBEULZLLZHN-LLVKDONJSA-N 1 2 207.277 1.637 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C(C)C)C2CC2)c[nH+]1 ZINC000620040947 369683629 /nfs/dbraw/zinc/68/36/29/369683629.db2.gz HDQUNNGZFWSHGV-LLVKDONJSA-N 1 2 221.304 1.883 20 0 BDADLO CCCCn1nnnc1C[NH+]1CCCCC1 ZINC000061744395 369833594 /nfs/dbraw/zinc/83/35/94/369833594.db2.gz NYBVXDVYSFDWSM-UHFFFAOYSA-N 1 2 223.324 1.459 20 0 BDADLO COC(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620599195 369949131 /nfs/dbraw/zinc/94/91/31/369949131.db2.gz DEJIJHFQZKPNTH-MRVPVSSYSA-N 1 2 225.292 1.022 20 0 BDADLO C[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)c1ccco1 ZINC000620599932 369949328 /nfs/dbraw/zinc/94/93/28/369949328.db2.gz JYCOKJKZVGGZMK-ZJUUUORDSA-N 1 2 247.298 1.994 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)c1ccco1)c1[nH+]ccn1C ZINC000620599931 369949509 /nfs/dbraw/zinc/94/95/09/369949509.db2.gz JYCOKJKZVGGZMK-VHSXEESVSA-N 1 2 247.298 1.994 20 0 BDADLO COC[C@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620602772 369950399 /nfs/dbraw/zinc/95/03/99/369950399.db2.gz DUCYXFBMRSLISF-ZJUUUORDSA-N 1 2 239.319 1.270 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620601445 369950556 /nfs/dbraw/zinc/95/05/56/369950556.db2.gz XGQVLRFOJKFFES-ZJUUUORDSA-N 1 2 223.320 1.889 20 0 BDADLO Cc1[nH]nc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1C ZINC000620600860 369950677 /nfs/dbraw/zinc/95/06/77/369950677.db2.gz QYUNCAQWCYHHHE-VIFPVBQESA-N 1 2 247.302 1.251 20 0 BDADLO C[C@@H](NC(=O)c1ccncc1F)c1[nH+]ccn1C ZINC000620600847 369950735 /nfs/dbraw/zinc/95/07/35/369950735.db2.gz QVDSGAYCDNJJSO-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@H](NC(=O)c1ccc(F)cn1)c1[nH+]ccn1C ZINC000620605136 369953093 /nfs/dbraw/zinc/95/30/93/369953093.db2.gz YXWFOPGPKHLBKY-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@@H](NC(=O)c1ncccc1F)c1[nH+]ccn1C ZINC000620607279 369955406 /nfs/dbraw/zinc/95/54/06/369955406.db2.gz GLXFDWSGYUCPLE-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc3ccccn23)no1 ZINC000620626943 369969012 /nfs/dbraw/zinc/96/90/12/369969012.db2.gz PNWAKQGBRAJPGU-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1cn2ccc(NC(=O)C3(O)CCC3)cc2[nH+]1 ZINC000620651333 369972732 /nfs/dbraw/zinc/97/27/32/369972732.db2.gz NHDQTAWUSSLDEM-UHFFFAOYSA-N 1 2 245.282 1.496 20 0 BDADLO C[C@@H](NC(=O)c1ccsc1)c1[nH+]ccn1C ZINC000620592203 369945429 /nfs/dbraw/zinc/94/54/29/369945429.db2.gz JPQQQNFGDQDESJ-MRVPVSSYSA-N 1 2 235.312 1.973 20 0 BDADLO C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1[nH+]ccn1C ZINC000620592487 369945527 /nfs/dbraw/zinc/94/55/27/369945527.db2.gz SSXFXGQFRKUERB-QMMMGPOBSA-N 1 2 246.270 1.012 20 0 BDADLO CC(C)OCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594556 369946739 /nfs/dbraw/zinc/94/67/39/369946739.db2.gz FRHVRMIFGMUZGI-SECBINFHSA-N 1 2 225.292 1.022 20 0 BDADLO C[C@@H](NC(=O)c1ccoc1)c1[nH+]ccn1C ZINC000620595713 369947887 /nfs/dbraw/zinc/94/78/87/369947887.db2.gz JMSHJPHQIWGKKD-MRVPVSSYSA-N 1 2 219.244 1.504 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594789 369947998 /nfs/dbraw/zinc/94/79/98/369947998.db2.gz FGUGAQYOBHMGCM-LPEHRKFASA-N 1 2 237.303 1.022 20 0 BDADLO Cc1cc(NC(=O)c2cocn2)cc[nH+]1 ZINC000074695571 370004680 /nfs/dbraw/zinc/00/46/80/370004680.db2.gz JMAWAXJPPCUIBD-UHFFFAOYSA-N 1 2 203.201 1.630 20 0 BDADLO CC1(C)CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC000620743192 369990382 /nfs/dbraw/zinc/99/03/82/369990382.db2.gz NAFQSMRCTAZZJD-UHFFFAOYSA-N 1 2 221.304 1.578 20 0 BDADLO CC(C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000074904705 370057345 /nfs/dbraw/zinc/05/73/45/370057345.db2.gz BVTKKBUSMRQJSQ-UHFFFAOYSA-N 1 2 218.260 1.864 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@@H](CO)C2)cc[nH+]1 ZINC000621349225 370284852 /nfs/dbraw/zinc/28/48/52/370284852.db2.gz KYENVZCTILCMLT-MWLCHTKSSA-N 1 2 221.304 1.240 20 0 BDADLO CCc1cc(NC[C@@H](O)[C@@H](C)CC)nc[nH+]1 ZINC000310018473 370289288 /nfs/dbraw/zinc/28/92/88/370289288.db2.gz LZLPDMGHTIGJPJ-GXSJLCMTSA-N 1 2 223.320 1.858 20 0 BDADLO Cc1nccnc1CN1CCc2c([nH+]cn2C)C1 ZINC000621709331 370454928 /nfs/dbraw/zinc/45/49/28/370454928.db2.gz RWXJKVZUZLJTGI-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO C[C@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1F ZINC000568382624 326351739 /nfs/dbraw/zinc/35/17/39/326351739.db2.gz FCSFNQCMOOKBQI-JQWIXIFHSA-N 1 2 239.294 1.528 20 0 BDADLO Cc1cccn2cc(C[N@@H+]3CCCOCC3)nc12 ZINC000621739953 370498215 /nfs/dbraw/zinc/49/82/15/370498215.db2.gz IEMKZXZBMIVGRT-UHFFFAOYSA-N 1 2 245.326 1.865 20 0 BDADLO Cc1cccn2cc(C[N@H+]3CCCOCC3)nc12 ZINC000621739953 370498220 /nfs/dbraw/zinc/49/82/20/370498220.db2.gz IEMKZXZBMIVGRT-UHFFFAOYSA-N 1 2 245.326 1.865 20 0 BDADLO CN(Cc1ncc[nH]1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621861583 370570483 /nfs/dbraw/zinc/57/04/83/370570483.db2.gz HPNPYBFHINZSMH-UHFFFAOYSA-N 1 2 247.302 1.069 20 0 BDADLO CCc1cc(NC[C@](C)(O)CC)nc[nH+]1 ZINC000078598058 370580013 /nfs/dbraw/zinc/58/00/13/370580013.db2.gz ZXAQXJVHJUZBLL-LLVKDONJSA-N 1 2 209.293 1.612 20 0 BDADLO CCN(C(=O)[C@H]1CCn2cc(C)[nH+]c2C1)C1CC1 ZINC000623776589 371087823 /nfs/dbraw/zinc/08/78/23/371087823.db2.gz PYQSUFWOHMIGBJ-NSHDSACASA-N 1 2 247.342 1.765 20 0 BDADLO COC(=O)c1ccc(CNc2c[nH]c[nH+]2)[nH]1 ZINC000390632940 371222395 /nfs/dbraw/zinc/22/23/95/371222395.db2.gz LJRVPIHWBLZWAX-UHFFFAOYSA-N 1 2 220.232 1.137 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N)n2)c(C)c1 ZINC000631063445 371237518 /nfs/dbraw/zinc/23/75/18/371237518.db2.gz GNKSUNBTRAKPML-UHFFFAOYSA-N 1 2 243.314 1.243 20 0 BDADLO Cc1ccc(CNc2nc(N)nc(C)[nH+]2)c(C)c1 ZINC000631063445 371237522 /nfs/dbraw/zinc/23/75/22/371237522.db2.gz GNKSUNBTRAKPML-UHFFFAOYSA-N 1 2 243.314 1.243 20 0 BDADLO C[C@H]1CC[NH2+]C[C@@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000572826868 326413126 /nfs/dbraw/zinc/41/31/26/326413126.db2.gz GPIZIOXVODJACJ-IUCAKERBSA-N 1 2 238.335 1.199 20 0 BDADLO CCO[C@@H]1CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000156025153 371341566 /nfs/dbraw/zinc/34/15/66/371341566.db2.gz RVZXGFUJJDUBGA-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000156025153 371341570 /nfs/dbraw/zinc/34/15/70/371341570.db2.gz RVZXGFUJJDUBGA-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO Cn1cc(C[N@@H+]2CCOc3ccccc3C2)cn1 ZINC000624190654 371378293 /nfs/dbraw/zinc/37/82/93/371378293.db2.gz QHPHJZNHPSKFRR-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO Cn1cc(C[N@H+]2CCOc3ccccc3C2)cn1 ZINC000624190654 371378297 /nfs/dbraw/zinc/37/82/97/371378297.db2.gz QHPHJZNHPSKFRR-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO COC[C@@](C)(O)CCNc1[nH+]cccc1OC ZINC000624248494 371434230 /nfs/dbraw/zinc/43/42/30/371434230.db2.gz OZFCJAPDKIZZPC-LBPRGKRZSA-N 1 2 240.303 1.290 20 0 BDADLO Cc1cc(NC(=O)CCc2cnn(C)c2)cc[nH+]1 ZINC000126157337 371500824 /nfs/dbraw/zinc/50/08/24/371500824.db2.gz UXSJHLOEANDBPG-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO O=C([C@@H]1CC12CCCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627369634 371587428 /nfs/dbraw/zinc/58/74/28/371587428.db2.gz YUJOXLDBKXKPGD-JTQLQIEISA-N 1 2 245.326 1.875 20 0 BDADLO O=C([C@@H]1CC12CCCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627369634 371587432 /nfs/dbraw/zinc/58/74/32/371587432.db2.gz YUJOXLDBKXKPGD-JTQLQIEISA-N 1 2 245.326 1.875 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627508869 371669614 /nfs/dbraw/zinc/66/96/14/371669614.db2.gz ARKWQIONHZSVES-NWDGAFQWSA-N 1 2 247.342 1.765 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000627581832 371761922 /nfs/dbraw/zinc/76/19/22/371761922.db2.gz WDBRNNQFOGQVRU-LLVKDONJSA-N 1 2 247.342 1.813 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C23CC(C2)C3)c2[nH+]ccn21 ZINC000627658460 371817022 /nfs/dbraw/zinc/81/70/22/371817022.db2.gz CACXJGIWKGDGBI-SUIRZZFNSA-N 1 2 231.299 1.805 20 0 BDADLO Cc1nc(N2CCC[C@@H]2CC(C)(C)C)nc(N)[nH+]1 ZINC000631083229 371817086 /nfs/dbraw/zinc/81/70/86/371817086.db2.gz KRPFFILLXHXYBE-SNVBAGLBSA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H]2CC(C)(C)C)[nH+]1 ZINC000631083229 371817087 /nfs/dbraw/zinc/81/70/87/371817087.db2.gz KRPFFILLXHXYBE-SNVBAGLBSA-N 1 2 249.362 1.998 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)C1CCCC1 ZINC000291993209 181834412 /nfs/dbraw/zinc/83/44/12/181834412.db2.gz LGOFMOHBOOKLFL-BTDICHCPSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn3ccccc3n2)[C@H](C)CO1 ZINC000058506713 372042004 /nfs/dbraw/zinc/04/20/04/372042004.db2.gz IWRIQGZGOFCLOI-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)[C@H](C)CO1 ZINC000058506713 372042009 /nfs/dbraw/zinc/04/20/09/372042009.db2.gz IWRIQGZGOFCLOI-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO CCc1cc(N[C@H](C)C[S@](C)=O)nc[nH+]1 ZINC000164199923 372119631 /nfs/dbraw/zinc/11/96/31/372119631.db2.gz FPDADIGZMAODTI-ANRSDYALSA-N 1 2 227.333 1.218 20 0 BDADLO OCC1CN(c2cc3ccccc3c[nH+]2)C1 ZINC000631204335 372235606 /nfs/dbraw/zinc/23/56/06/372235606.db2.gz JMAFZHMTRZGTAF-UHFFFAOYSA-N 1 2 214.268 1.663 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000631294372 372280040 /nfs/dbraw/zinc/28/00/40/372280040.db2.gz LAZYJDBTMFCESV-JFGNBEQYSA-N 1 2 248.326 1.818 20 0 BDADLO c1c[nH]c(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000631302024 372283370 /nfs/dbraw/zinc/28/33/70/372283370.db2.gz TXZFYIPWGBKLEF-VIFPVBQESA-N 1 2 217.276 1.231 20 0 BDADLO CCC[C@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000631426154 372356129 /nfs/dbraw/zinc/35/61/29/372356129.db2.gz GBVBGDTVENXFNT-LLVKDONJSA-N 1 2 235.331 1.739 20 0 BDADLO O[C@H](CCNc1cc[nH+]c(C2CC2)n1)C(F)F ZINC000631463131 372377497 /nfs/dbraw/zinc/37/74/97/372377497.db2.gz ZLNAMVBTUQXASB-MRVPVSSYSA-N 1 2 243.257 1.204 20 0 BDADLO CCc1cc(N[C@@H](C)[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493936 372394588 /nfs/dbraw/zinc/39/45/88/372394588.db2.gz RFGHLTLXFYCACA-IMTBSYHQSA-N 1 2 249.236 1.763 20 0 BDADLO O[C@@H]1C[C@H]2C[C@@H](C1)N(c1cccc[nH+]1)C2 ZINC000631520970 372407296 /nfs/dbraw/zinc/40/72/96/372407296.db2.gz OVDNUXZZROZASW-OUAUKWLOSA-N 1 2 204.273 1.431 20 0 BDADLO Cc1nc(N2CC[C@H](O)[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000631533037 372412828 /nfs/dbraw/zinc/41/28/28/372412828.db2.gz IXBLWPYVYHEDEO-XQQFMLRXSA-N 1 2 247.342 1.915 20 0 BDADLO Cc1cc(N[C@H]2CCCn3nccc32)nc[nH+]1 ZINC000631593665 372445646 /nfs/dbraw/zinc/44/56/46/372445646.db2.gz NMMVGEGOPWAVED-JTQLQIEISA-N 1 2 229.287 1.929 20 0 BDADLO CC[C@H](NC(C)=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000631743219 372543274 /nfs/dbraw/zinc/54/32/74/372543274.db2.gz PFMAKXZHCBLAFL-NSHDSACASA-N 1 2 249.314 1.552 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCCNC2=O)c(C)[nH+]1 ZINC000631743040 372543765 /nfs/dbraw/zinc/54/37/65/372543765.db2.gz LIGCNBFPEKMMPI-JTQLQIEISA-N 1 2 247.298 1.163 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)C2)o1 ZINC000171698372 372737746 /nfs/dbraw/zinc/73/77/46/372737746.db2.gz XKHLNQLQJCOZJO-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)C2)o1 ZINC000171698372 372737753 /nfs/dbraw/zinc/73/77/53/372737753.db2.gz XKHLNQLQJCOZJO-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO C[C@@H]1CCCCN1C(=O)NCc1[nH]cc[nH+]1 ZINC000632143927 372780869 /nfs/dbraw/zinc/78/08/69/372780869.db2.gz GOLICGMQLHAWMU-SECBINFHSA-N 1 2 222.292 1.494 20 0 BDADLO O=C(CO)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000305735349 181990665 /nfs/dbraw/zinc/99/06/65/181990665.db2.gz XBRCYFUZBQQWJQ-UHFFFAOYSA-N 1 2 244.250 1.805 20 0 BDADLO CC(C)(C)C[N@H+](CCCO)CC(F)F ZINC000171994358 372850693 /nfs/dbraw/zinc/85/06/93/372850693.db2.gz VZFIFVZFJKJZRC-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CC(C)(C)C[N@@H+](CCCO)CC(F)F ZINC000171994358 372850701 /nfs/dbraw/zinc/85/07/01/372850701.db2.gz VZFIFVZFJKJZRC-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000172072197 372861452 /nfs/dbraw/zinc/86/14/52/372861452.db2.gz HCEVEBLHVDAWKX-SNVBAGLBSA-N 1 2 244.335 1.232 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000172072197 372861457 /nfs/dbraw/zinc/86/14/57/372861457.db2.gz HCEVEBLHVDAWKX-SNVBAGLBSA-N 1 2 244.335 1.232 20 0 BDADLO O=C(CSc1[nH+]cc2ccccn21)N1CCC1 ZINC000298289406 182011411 /nfs/dbraw/zinc/01/14/11/182011411.db2.gz FCGRHXIEAAUQTN-UHFFFAOYSA-N 1 2 247.323 1.659 20 0 BDADLO O=C(C[C@H]1C=CCC1)N1CCn2c[nH+]cc2C1 ZINC000290956970 182023859 /nfs/dbraw/zinc/02/38/59/182023859.db2.gz QZNWRBDLPJGFAQ-NSHDSACASA-N 1 2 231.299 1.582 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(F)F ZINC000172250365 372920084 /nfs/dbraw/zinc/92/00/84/372920084.db2.gz AKBDNZPCHUMQJA-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(F)F ZINC000172250365 372920090 /nfs/dbraw/zinc/92/00/90/372920090.db2.gz AKBDNZPCHUMQJA-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO O=C(Cc1cccs1)NCCc1[nH]cc[nH+]1 ZINC000126446316 182052838 /nfs/dbraw/zinc/05/28/38/182052838.db2.gz PLCRWCKIUCEYQF-UHFFFAOYSA-N 1 2 235.312 1.373 20 0 BDADLO CCC[C@H](CC)Nc1nc(C)[nH+]c(N)n1 ZINC000379785209 373060935 /nfs/dbraw/zinc/06/09/35/373060935.db2.gz FBBAVXQLOXLAGH-QMMMGPOBSA-N 1 2 209.297 1.583 20 0 BDADLO CCC[C@H](CC)Nc1nc(N)nc(C)[nH+]1 ZINC000379785209 373060940 /nfs/dbraw/zinc/06/09/40/373060940.db2.gz FBBAVXQLOXLAGH-QMMMGPOBSA-N 1 2 209.297 1.583 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NC1CCCC1 ZINC000032062905 182058730 /nfs/dbraw/zinc/05/87/30/182058730.db2.gz RZERIVPHBIFELA-UHFFFAOYSA-N 1 2 243.310 1.936 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCCSC1 ZINC000329543271 182085474 /nfs/dbraw/zinc/08/54/74/182085474.db2.gz YFUYJJQDPJLURE-QMMMGPOBSA-N 1 2 238.312 1.291 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCC(C)(C)C ZINC000632868675 373198862 /nfs/dbraw/zinc/19/88/62/373198862.db2.gz KOHILCVGDZZLGR-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632879602 373205428 /nfs/dbraw/zinc/20/54/28/373205428.db2.gz GNFRJZUKNUNBOZ-DTWKUNHWSA-N 1 2 222.292 1.207 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CCn3c[nH+]cc3C2)[C@H](C)O1 ZINC000633140071 373303586 /nfs/dbraw/zinc/30/35/86/373303586.db2.gz PYZYPMDOSLLMKN-SCVCMEIPSA-N 1 2 249.314 1.039 20 0 BDADLO O=C(NC1CCCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875332 182112499 /nfs/dbraw/zinc/11/24/99/182112499.db2.gz UACOVTCDBSOAML-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO O=C(NC1CCCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875332 182112500 /nfs/dbraw/zinc/11/25/00/182112500.db2.gz UACOVTCDBSOAML-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368799330 182113335 /nfs/dbraw/zinc/11/33/35/182113335.db2.gz VKMWSYFGLQKNJF-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000361959462 182110259 /nfs/dbraw/zinc/11/02/59/182110259.db2.gz OVQBYEUDJIQTLH-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC1CSC1 ZINC000633272458 373431037 /nfs/dbraw/zinc/43/10/37/373431037.db2.gz SDLUTJKLFFSIFK-UHFFFAOYSA-N 1 2 239.344 1.272 20 0 BDADLO O=C(NCC(F)(F)F)[C@H]1CCn2c[nH+]cc2C1 ZINC000170030694 182123037 /nfs/dbraw/zinc/12/30/37/182123037.db2.gz JJKADDOISJZAOH-ZETCQYMHSA-N 1 2 247.220 1.124 20 0 BDADLO Cc1cccc(CN(C)c2nc(C)[nH+]c(N)n2)c1 ZINC000380658774 373429565 /nfs/dbraw/zinc/42/95/65/373429565.db2.gz DISXRGLTZXRDHY-UHFFFAOYSA-N 1 2 243.314 1.537 20 0 BDADLO Cc1cccc(CN(C)c2nc(N)nc(C)[nH+]2)c1 ZINC000380658774 373429570 /nfs/dbraw/zinc/42/95/70/373429570.db2.gz DISXRGLTZXRDHY-UHFFFAOYSA-N 1 2 243.314 1.537 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccon1 ZINC000633290386 373454121 /nfs/dbraw/zinc/45/41/21/373454121.db2.gz SQVHGBGADGVRED-VIFPVBQESA-N 1 2 248.286 1.311 20 0 BDADLO Cc1nocc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000633334503 373480125 /nfs/dbraw/zinc/48/01/25/373480125.db2.gz RPPIHHXKSSKXSH-GMSGAONNSA-N 1 2 246.270 1.615 20 0 BDADLO Cc1cc(CNC(=O)C2CSC2)cc(C)[nH+]1 ZINC000633454781 373560373 /nfs/dbraw/zinc/56/03/73/373560373.db2.gz PJHABMJVZONPTQ-UHFFFAOYSA-N 1 2 236.340 1.678 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000633602708 373619682 /nfs/dbraw/zinc/61/96/82/373619682.db2.gz PLPOQIHJEKKVKZ-WCABBAIRSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000633602708 373619687 /nfs/dbraw/zinc/61/96/87/373619687.db2.gz PLPOQIHJEKKVKZ-WCABBAIRSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@H](CC(=O)NCC(C)(C)F)n1cc[nH+]c1 ZINC000633720593 373708253 /nfs/dbraw/zinc/70/82/53/373708253.db2.gz PJEREKMNPQFMTO-SECBINFHSA-N 1 2 227.283 1.699 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@@H]1C(F)F ZINC000338102278 182179317 /nfs/dbraw/zinc/17/93/17/182179317.db2.gz XBRMFMIMWZZSRG-IUCAKERBSA-N 1 2 243.257 1.291 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1cccnc1 ZINC000301095068 182188219 /nfs/dbraw/zinc/18/82/19/182188219.db2.gz ZGBLNGXHSJXLKK-UHFFFAOYSA-N 1 2 242.282 1.319 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccco1 ZINC000071838807 182188860 /nfs/dbraw/zinc/18/88/60/182188860.db2.gz XHYAOHFPVAIWEV-UHFFFAOYSA-N 1 2 231.255 1.517 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CCCCC2 ZINC000357327792 182214975 /nfs/dbraw/zinc/21/49/75/182214975.db2.gz KHIXFCUWNSGIBQ-LBPRGKRZSA-N 1 2 247.342 1.970 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1[C@@H]2CCCC[C@H]12 ZINC000173944921 182215682 /nfs/dbraw/zinc/21/56/82/182215682.db2.gz AJKGGGJNINMPBU-FOSCPWQOSA-N 1 2 233.315 1.436 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1conc1C1CC1 ZINC000354201530 182212294 /nfs/dbraw/zinc/21/22/94/182212294.db2.gz AVDSONIULCUHNX-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH+]cn2C)o1 ZINC000634312135 374161365 /nfs/dbraw/zinc/16/13/65/374161365.db2.gz DBAIOQBORSGRLQ-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC000634312371 374161640 /nfs/dbraw/zinc/16/16/40/374161640.db2.gz LZDIYBNDVBXMFB-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH+]c[nH]c2C)o1 ZINC000634312371 374161644 /nfs/dbraw/zinc/16/16/44/374161644.db2.gz LZDIYBNDVBXMFB-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)o1 ZINC000634312664 374163303 /nfs/dbraw/zinc/16/33/03/374163303.db2.gz XXALGJKVRBLMKR-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)o1 ZINC000634312664 374163308 /nfs/dbraw/zinc/16/33/08/374163308.db2.gz XXALGJKVRBLMKR-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCn2c[nH+]cc2C1 ZINC000332097492 182253021 /nfs/dbraw/zinc/25/30/21/182253021.db2.gz DGBWVGBRKCBVNW-JTQLQIEISA-N 1 2 244.298 1.090 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCCS1 ZINC000087681503 182273712 /nfs/dbraw/zinc/27/37/12/182273712.db2.gz VHSZMXDGHMPRRL-MRVPVSSYSA-N 1 2 225.317 1.312 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCCS1 ZINC000087681501 182273920 /nfs/dbraw/zinc/27/39/20/182273920.db2.gz VHSZMXDGHMPRRL-QMMMGPOBSA-N 1 2 225.317 1.312 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2c[nH]nc21 ZINC000114126052 182274107 /nfs/dbraw/zinc/27/41/07/182274107.db2.gz JAROAQKYIJAGHP-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336623319 182267039 /nfs/dbraw/zinc/26/70/39/182267039.db2.gz LYGNBNFDWGGRSX-SNVBAGLBSA-N 1 2 245.282 1.739 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336623319 182267041 /nfs/dbraw/zinc/26/70/41/182267041.db2.gz LYGNBNFDWGGRSX-SNVBAGLBSA-N 1 2 245.282 1.739 20 0 BDADLO O=C(NCc1c[nH+]c2n1CCCC2)C(F)(F)F ZINC000375954733 182270084 /nfs/dbraw/zinc/27/00/84/182270084.db2.gz RKGGNXLBFPXXKJ-UHFFFAOYSA-N 1 2 247.220 1.398 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(CCF)CC1 ZINC000291219142 182272718 /nfs/dbraw/zinc/27/27/18/182272718.db2.gz HWANEROWOXVSPV-UHFFFAOYSA-N 1 2 211.240 1.166 20 0 BDADLO CCNC(=O)C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424131606 206032452 /nfs/dbraw/zinc/03/24/52/206032452.db2.gz JIJFYCUVGTZGGH-UHFFFAOYSA-N 1 2 242.269 1.499 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cncs2)n1 ZINC000424192858 206034963 /nfs/dbraw/zinc/03/49/63/206034963.db2.gz TUFHVUUHXSRSIP-UHFFFAOYSA-N 1 2 236.300 1.232 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=CCCCO1 ZINC000372330474 182313137 /nfs/dbraw/zinc/31/31/37/182313137.db2.gz FYWKQLJRGCDSDV-SECBINFHSA-N 1 2 247.298 1.078 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=CCCCO1 ZINC000372330474 182313138 /nfs/dbraw/zinc/31/31/38/182313138.db2.gz FYWKQLJRGCDSDV-SECBINFHSA-N 1 2 247.298 1.078 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCCOC1 ZINC000266010228 182374396 /nfs/dbraw/zinc/37/43/96/182374396.db2.gz ATUIHGYMSIRDND-SNVBAGLBSA-N 1 2 245.282 1.699 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1ccccn1 ZINC000357450013 182374768 /nfs/dbraw/zinc/37/47/68/182374768.db2.gz GMUMBOPPNBQGSZ-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccco1 ZINC000109889570 182387682 /nfs/dbraw/zinc/38/76/82/182387682.db2.gz JTJCYRVZQIYSEG-UHFFFAOYSA-N 1 2 204.185 1.633 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOCC1CC1 ZINC000121498609 170187735 /nfs/dbraw/zinc/18/77/35/170187735.db2.gz FRKROBFAEDSQAN-UHFFFAOYSA-N 1 2 229.320 1.344 20 0 BDADLO CCCCOCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264740658 168895303 /nfs/dbraw/zinc/89/53/03/168895303.db2.gz RGOHQNOGERRPKF-UHFFFAOYSA-N 1 2 239.319 1.655 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccccn1 ZINC000186616067 182830847 /nfs/dbraw/zinc/83/08/47/182830847.db2.gz NNKMKUASFLUBIP-ZDUSSCGKSA-N 1 2 232.283 1.363 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccccn1 ZINC000186616067 182830849 /nfs/dbraw/zinc/83/08/49/182830849.db2.gz NNKMKUASFLUBIP-ZDUSSCGKSA-N 1 2 232.283 1.363 20 0 BDADLO OC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC000070839151 183030825 /nfs/dbraw/zinc/03/08/25/183030825.db2.gz QBRQYGPQXPRCCS-UHFFFAOYSA-N 1 2 214.268 1.411 20 0 BDADLO OCC(F)(F)C[NH2+]C1Cc2ccccc2C1 ZINC000184704296 183033952 /nfs/dbraw/zinc/03/39/52/183033952.db2.gz ATCPLFNVQMJAPW-UHFFFAOYSA-N 1 2 227.254 1.371 20 0 BDADLO OCC1(CNc2ccc3ccccc3[nH+]2)COC1 ZINC000269448769 183036834 /nfs/dbraw/zinc/03/68/34/183036834.db2.gz DEBAFBVTXBKPJI-UHFFFAOYSA-N 1 2 244.294 1.656 20 0 BDADLO OCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486139 183060387 /nfs/dbraw/zinc/06/03/87/183060387.db2.gz PJNYCBWSNUEZAV-UHFFFAOYSA-N 1 2 220.194 1.895 20 0 BDADLO OCCCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000072236078 183064540 /nfs/dbraw/zinc/06/45/40/183064540.db2.gz DINTUDMCTNGFOE-UHFFFAOYSA-N 1 2 212.199 1.766 20 0 BDADLO OCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377996692 183071494 /nfs/dbraw/zinc/07/14/94/183071494.db2.gz JSQUWQDGYIAQKY-JTQLQIEISA-N 1 2 237.303 1.466 20 0 BDADLO OCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377996692 183071498 /nfs/dbraw/zinc/07/14/98/183071498.db2.gz JSQUWQDGYIAQKY-JTQLQIEISA-N 1 2 237.303 1.466 20 0 BDADLO OCC[N@H+](Cc1noc(C2CC2)n1)C1CCC1 ZINC000221155590 183072063 /nfs/dbraw/zinc/07/20/63/183072063.db2.gz GBNABEJYQGFBAZ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCC[N@@H+](Cc1noc(C2CC2)n1)C1CCC1 ZINC000221155590 183072065 /nfs/dbraw/zinc/07/20/65/183072065.db2.gz GBNABEJYQGFBAZ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCCN(c1cc[nH+]c(C2CC2)n1)C1CCC1 ZINC000276049283 183072093 /nfs/dbraw/zinc/07/20/93/183072093.db2.gz QHOOVUCISLDSIZ-UHFFFAOYSA-N 1 2 233.315 1.705 20 0 BDADLO OCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187703337 183078723 /nfs/dbraw/zinc/07/87/23/183078723.db2.gz ULVSYYABMDKNIR-LLVKDONJSA-N 1 2 235.262 1.220 20 0 BDADLO OCCOCCNc1ccc2ccccc2[nH+]1 ZINC000051449064 183086846 /nfs/dbraw/zinc/08/68/46/183086846.db2.gz QLGREADVCXMVMX-UHFFFAOYSA-N 1 2 232.283 1.656 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000276974911 183091282 /nfs/dbraw/zinc/09/12/82/183091282.db2.gz GBHDIMIHUOQXEU-CYBMUJFWSA-N 1 2 232.283 1.888 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000095078526 183115061 /nfs/dbraw/zinc/11/50/61/183115061.db2.gz YJTYIYPKKGZZEA-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000095078526 183115063 /nfs/dbraw/zinc/11/50/63/183115063.db2.gz YJTYIYPKKGZZEA-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@@H](C[NH+]=c1[nH]c2ccccc2[nH]1)C1CC1 ZINC000357790742 183104148 /nfs/dbraw/zinc/10/41/48/183104148.db2.gz YNSQOTBQGLVRBK-SNVBAGLBSA-N 1 2 231.299 1.415 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cocn1 ZINC000191943772 183132043 /nfs/dbraw/zinc/13/20/43/183132043.db2.gz SUNIYPRZKIDSBN-CQSZACIVSA-N 1 2 244.294 1.766 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cocn1 ZINC000191943772 183132046 /nfs/dbraw/zinc/13/20/46/183132046.db2.gz SUNIYPRZKIDSBN-CQSZACIVSA-N 1 2 244.294 1.766 20 0 BDADLO OC[C@H](CC(F)(F)F)[NH2+]Cc1cscn1 ZINC000308880053 183136089 /nfs/dbraw/zinc/13/60/89/183136089.db2.gz POAPRWMDYRDXAB-LURJTMIESA-N 1 2 240.250 1.546 20 0 BDADLO OC[C@H]([NH2+]Cc1ccon1)c1ccc(F)cc1 ZINC000273073303 183141179 /nfs/dbraw/zinc/14/11/79/183141179.db2.gz FUOOYIZRBIHRHG-LBPRGKRZSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000267919471 183124514 /nfs/dbraw/zinc/12/45/14/183124514.db2.gz CLNINACGQFXAOM-SNVBAGLBSA-N 1 2 229.283 1.448 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000095078525 183148900 /nfs/dbraw/zinc/14/89/00/183148900.db2.gz YJTYIYPKKGZZEA-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000095078525 183148902 /nfs/dbraw/zinc/14/89/02/183148902.db2.gz YJTYIYPKKGZZEA-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000332626050 183150778 /nfs/dbraw/zinc/15/07/78/183150778.db2.gz HFMCNBVFJSVUMY-MRVPVSSYSA-N 1 2 249.236 1.385 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000332626050 183150782 /nfs/dbraw/zinc/15/07/82/183150782.db2.gz HFMCNBVFJSVUMY-MRVPVSSYSA-N 1 2 249.236 1.385 20 0 BDADLO OC[C@H]1C[N@H+](Cc2nccs2)CCC1(F)F ZINC000361083961 183155528 /nfs/dbraw/zinc/15/55/28/183155528.db2.gz ZPBOHNWQXCYMOF-MRVPVSSYSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2nccs2)CCC1(F)F ZINC000361083961 183155529 /nfs/dbraw/zinc/15/55/29/183155529.db2.gz ZPBOHNWQXCYMOF-MRVPVSSYSA-N 1 2 248.298 1.593 20 0 BDADLO CCCN(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000276612250 169042408 /nfs/dbraw/zinc/04/24/08/169042408.db2.gz STRVVPVISQIKQM-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000169061465 183162850 /nfs/dbraw/zinc/16/28/50/183162850.db2.gz OXOYGQTYZRDNFU-QWHCGFSZSA-N 1 2 237.299 1.525 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000169061465 183162853 /nfs/dbraw/zinc/16/28/53/183162853.db2.gz OXOYGQTYZRDNFU-QWHCGFSZSA-N 1 2 237.299 1.525 20 0 BDADLO CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364262133 169045570 /nfs/dbraw/zinc/04/55/70/169045570.db2.gz ATWBXQWYMVSTET-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO OCc1ccc(CNc2ccc(CO)c[nH+]2)o1 ZINC000291707737 183166441 /nfs/dbraw/zinc/16/64/41/183166441.db2.gz ZOGJUSCBSLILKM-UHFFFAOYSA-N 1 2 234.255 1.271 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373582576 169058528 /nfs/dbraw/zinc/05/85/28/169058528.db2.gz NQGBCXWIZJQPBI-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)CC1 ZINC000328820453 183193672 /nfs/dbraw/zinc/19/36/72/183193672.db2.gz PYDUOMXGIGRKSO-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)CC1 ZINC000328820453 183193673 /nfs/dbraw/zinc/19/36/73/183193673.db2.gz PYDUOMXGIGRKSO-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000294226589 183194025 /nfs/dbraw/zinc/19/40/25/183194025.db2.gz VKGCWGGXVCNFMA-LLVKDONJSA-N 1 2 233.315 1.705 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(CO)o1 ZINC000269367553 169100608 /nfs/dbraw/zinc/10/06/08/169100608.db2.gz ROGFLQPFRALRDR-UHFFFAOYSA-N 1 2 241.287 1.157 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(CO)o1 ZINC000269367553 169100610 /nfs/dbraw/zinc/10/06/10/169100610.db2.gz ROGFLQPFRALRDR-UHFFFAOYSA-N 1 2 241.287 1.157 20 0 BDADLO O[C@@]1(CNc2cccc[nH+]2)CCSC1 ZINC000277140466 183216524 /nfs/dbraw/zinc/21/65/24/183216524.db2.gz CCQLXXHYLSVUNZ-SNVBAGLBSA-N 1 2 210.302 1.362 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccc(Br)o2)C1 ZINC000061707826 183239980 /nfs/dbraw/zinc/23/99/80/183239980.db2.gz MYBXGPYLWHTMNV-ZETCQYMHSA-N 1 2 246.104 1.609 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000061707826 183239982 /nfs/dbraw/zinc/23/99/82/183239982.db2.gz MYBXGPYLWHTMNV-ZETCQYMHSA-N 1 2 246.104 1.609 20 0 BDADLO CCCN(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299353157 169114061 /nfs/dbraw/zinc/11/40/61/169114061.db2.gz DEFFDKVZPOVSFD-NSHDSACASA-N 1 2 238.335 1.713 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000294934288 183245348 /nfs/dbraw/zinc/24/53/48/183245348.db2.gz ZSDBUKKNAUBECU-LLVKDONJSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000294934288 183245349 /nfs/dbraw/zinc/24/53/49/183245349.db2.gz ZSDBUKKNAUBECU-LLVKDONJSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000294796990 183245364 /nfs/dbraw/zinc/24/53/64/183245364.db2.gz MMGZJFUFVYKVSF-LLVKDONJSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000294796990 183245367 /nfs/dbraw/zinc/24/53/67/183245367.db2.gz MMGZJFUFVYKVSF-LLVKDONJSA-N 1 2 243.253 1.158 20 0 BDADLO CCCN(CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC000299689597 169135764 /nfs/dbraw/zinc/13/57/64/169135764.db2.gz VULAFIFEYJYHPJ-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CCC[N@H+](CCC(=O)N(C)C)CC(F)F ZINC000338258127 169138774 /nfs/dbraw/zinc/13/87/74/169138774.db2.gz WBPMBTDHMSHJQM-UHFFFAOYSA-N 1 2 222.279 1.442 20 0 BDADLO CCC[N@@H+](CCC(=O)N(C)C)CC(F)F ZINC000338258127 169138775 /nfs/dbraw/zinc/13/87/75/169138775.db2.gz WBPMBTDHMSHJQM-UHFFFAOYSA-N 1 2 222.279 1.442 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](Cc1ccno1)CC2 ZINC000336468320 183279950 /nfs/dbraw/zinc/27/99/50/183279950.db2.gz ZGCMSMRTFTWVTG-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](Cc1ccno1)CC2 ZINC000336468320 183279951 /nfs/dbraw/zinc/27/99/51/183279951.db2.gz ZGCMSMRTFTWVTG-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO CCCN(CCO)c1nc(N)c2ccccc2[nH+]1 ZINC000301787117 169169275 /nfs/dbraw/zinc/16/92/75/169169275.db2.gz PHWIVLKBRRBOJU-UHFFFAOYSA-N 1 2 246.314 1.421 20 0 BDADLO CCCN(CCO)c1cccc(-n2cc[nH+]c2)n1 ZINC000376814921 169169563 /nfs/dbraw/zinc/16/95/63/169169563.db2.gz DCQGEAMFZLYTPQ-UHFFFAOYSA-N 1 2 246.314 1.476 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000357319453 169222812 /nfs/dbraw/zinc/22/28/12/169222812.db2.gz VIIQSUIQPRDYID-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000357319453 169222814 /nfs/dbraw/zinc/22/28/14/169222814.db2.gz VIIQSUIQPRDYID-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000113943112 169223097 /nfs/dbraw/zinc/22/30/97/169223097.db2.gz DZTSPSAYVFCBNP-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000113943112 169223099 /nfs/dbraw/zinc/22/30/99/169223099.db2.gz DZTSPSAYVFCBNP-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO c1cc([C@H]2CCC[N@@H+](Cc3ccno3)C2)[nH]n1 ZINC000360536744 183342056 /nfs/dbraw/zinc/34/20/56/183342056.db2.gz LKIVABVPHGOFGI-JTQLQIEISA-N 1 2 232.287 1.777 20 0 BDADLO c1cc([C@H]2CCC[N@H+](Cc3ccno3)C2)[nH]n1 ZINC000360536744 183342058 /nfs/dbraw/zinc/34/20/58/183342058.db2.gz LKIVABVPHGOFGI-JTQLQIEISA-N 1 2 232.287 1.777 20 0 BDADLO CCCNC(=O)CNc1cc[nH+]c(C(C)C)n1 ZINC000110115202 169230695 /nfs/dbraw/zinc/23/06/95/169230695.db2.gz AFHOJIHABZIJQA-UHFFFAOYSA-N 1 2 236.319 1.538 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CC2)on1 ZINC000270883780 183343974 /nfs/dbraw/zinc/34/39/74/183343974.db2.gz KLNFFJCMFOCPKN-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CC2)on1 ZINC000270883780 183343975 /nfs/dbraw/zinc/34/39/75/183343975.db2.gz KLNFFJCMFOCPKN-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CCCC3)C2)n[nH]1 ZINC000093589349 183344198 /nfs/dbraw/zinc/34/41/98/183344198.db2.gz SQFYWRFVPOYHIQ-UHFFFAOYSA-N 1 2 221.304 1.555 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CCCC3)C2)n[nH]1 ZINC000093589349 183344202 /nfs/dbraw/zinc/34/42/02/183344202.db2.gz SQFYWRFVPOYHIQ-UHFFFAOYSA-N 1 2 221.304 1.555 20 0 BDADLO c1cc2c(c(C[NH+]3CCOCC3)c1)OCO2 ZINC000161601949 183344762 /nfs/dbraw/zinc/34/47/62/183344762.db2.gz DRZRIEMMQDIGFH-UHFFFAOYSA-N 1 2 221.256 1.248 20 0 BDADLO CCCNC(=O)CSc1[nH+]cc2ccccn21 ZINC000068906873 169232707 /nfs/dbraw/zinc/23/27/07/169232707.db2.gz WEPNYBGLPMEPSF-UHFFFAOYSA-N 1 2 249.339 1.953 20 0 BDADLO c1cc2c(c(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)c1)OCO2 ZINC000376494682 183347434 /nfs/dbraw/zinc/34/74/34/183347434.db2.gz HKKUVJDNHYDZOV-TXEJJXNPSA-N 1 2 247.294 1.779 20 0 BDADLO c1cc2c(c(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c1)OCO2 ZINC000376494682 183347435 /nfs/dbraw/zinc/34/74/35/183347435.db2.gz HKKUVJDNHYDZOV-TXEJJXNPSA-N 1 2 247.294 1.779 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1occc1C ZINC000271040518 169219034 /nfs/dbraw/zinc/21/90/34/169219034.db2.gz NUXHMGKHUNBJDJ-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1occc1C ZINC000271040518 169219036 /nfs/dbraw/zinc/21/90/36/169219036.db2.gz NUXHMGKHUNBJDJ-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCCNC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000179144430 169219998 /nfs/dbraw/zinc/21/99/98/169219998.db2.gz PQGSUYKKWXQEOS-LLVKDONJSA-N 1 2 235.331 1.601 20 0 BDADLO CCCNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000179144430 169219999 /nfs/dbraw/zinc/21/99/99/169219999.db2.gz PQGSUYKKWXQEOS-LLVKDONJSA-N 1 2 235.331 1.601 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1cccnc1 ZINC000072956403 169220011 /nfs/dbraw/zinc/22/00/11/169220011.db2.gz FQSJKVWSZLXRHI-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000072956403 169220013 /nfs/dbraw/zinc/22/00/13/169220013.db2.gz FQSJKVWSZLXRHI-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000111277366 169222473 /nfs/dbraw/zinc/22/24/73/169222473.db2.gz HUPLQAYICYIRNX-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000111277366 169222476 /nfs/dbraw/zinc/22/24/76/169222476.db2.gz HUPLQAYICYIRNX-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO c1cc2[nH+]ccc(NC[C@@H]3CCCO3)c2cn1 ZINC000362848679 183364197 /nfs/dbraw/zinc/36/41/97/183364197.db2.gz CQZGIQBWURSIGF-JTQLQIEISA-N 1 2 229.283 1.643 20 0 BDADLO CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336340002 169244577 /nfs/dbraw/zinc/24/45/77/169244577.db2.gz AKWXLBACEJTWAK-MRVPVSSYSA-N 1 2 207.277 1.356 20 0 BDADLO CCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336340002 169244580 /nfs/dbraw/zinc/24/45/80/169244580.db2.gz AKWXLBACEJTWAK-MRVPVSSYSA-N 1 2 207.277 1.356 20 0 BDADLO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000336777804 169247744 /nfs/dbraw/zinc/24/77/44/169247744.db2.gz JPCALNACAHYMSX-BDAKNGLRSA-N 1 2 225.292 1.240 20 0 BDADLO CCC[NH2+][C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000295315878 169285050 /nfs/dbraw/zinc/28/50/50/169285050.db2.gz YRWZWADDXFFTIA-MRVPVSSYSA-N 1 2 247.302 1.285 20 0 BDADLO c1ccc(CC[N@@H+]2CCOC[C@@]23CCOC3)nc1 ZINC000193729377 183393160 /nfs/dbraw/zinc/39/31/60/183393160.db2.gz QSCMLQQUEIMEPW-AWEZNQCLSA-N 1 2 248.326 1.115 20 0 BDADLO c1ccc(CC[N@H+]2CCOC[C@@]23CCOC3)nc1 ZINC000193729377 183393161 /nfs/dbraw/zinc/39/31/61/183393161.db2.gz QSCMLQQUEIMEPW-AWEZNQCLSA-N 1 2 248.326 1.115 20 0 BDADLO CCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000083746893 169280343 /nfs/dbraw/zinc/28/03/43/169280343.db2.gz FDAHCTIFNZBRPE-SECBINFHSA-N 1 2 222.317 1.955 20 0 BDADLO CCCOCC(=O)NCCNc1cccc[nH+]1 ZINC000299609787 169304941 /nfs/dbraw/zinc/30/49/41/169304941.db2.gz JBBGTUVSQWCYDV-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO c1nnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000297405599 183414817 /nfs/dbraw/zinc/41/48/17/183414817.db2.gz GCFSAWOTJYKVSO-SECBINFHSA-N 1 2 247.327 1.624 20 0 BDADLO CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000039117513 169333849 /nfs/dbraw/zinc/33/38/49/169333849.db2.gz ZWOMUEDWPMKTLP-UHFFFAOYSA-N 1 2 200.263 1.233 20 0 BDADLO c1cn(CCCNc2nnc(C3CC3)o2)c[nH+]1 ZINC000276155352 183468549 /nfs/dbraw/zinc/46/85/49/183468549.db2.gz JNDJUYKMNWGKAI-UHFFFAOYSA-N 1 2 233.275 1.646 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000179449841 134320604 /nfs/dbraw/zinc/32/06/04/134320604.db2.gz KPTNLWYLAMXLTR-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283859406 171110687 /nfs/dbraw/zinc/11/06/87/171110687.db2.gz HLBQBFHVDAZZEI-DJVCXFJCSA-N 1 2 249.314 1.449 20 0 BDADLO CO[C@@](C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493296071 532994106 /nfs/dbraw/zinc/99/41/06/532994106.db2.gz QFTPRDGZAZERGK-GFUIURDCSA-N 1 2 249.314 1.354 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(F)cc1 ZINC000066528493 383871268 /nfs/dbraw/zinc/87/12/68/383871268.db2.gz SWLIMNBBWPFHHH-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(F)cc1 ZINC000066528493 383871274 /nfs/dbraw/zinc/87/12/74/383871274.db2.gz SWLIMNBBWPFHHH-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000050115503 383923446 /nfs/dbraw/zinc/92/34/46/383923446.db2.gz RUQCMCBVCOBLPA-SECBINFHSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000050115503 383923453 /nfs/dbraw/zinc/92/34/53/383923453.db2.gz RUQCMCBVCOBLPA-SECBINFHSA-N 1 2 239.319 1.324 20 0 BDADLO Cc1nc(C[N@@H+]([C@@H](C)CO)C2CCCC2)no1 ZINC000357620633 383889514 /nfs/dbraw/zinc/88/95/14/383889514.db2.gz LGMLVUONFZFBRS-VIFPVBQESA-N 1 2 239.319 1.503 20 0 BDADLO Cc1nc(C[N@H+]([C@@H](C)CO)C2CCCC2)no1 ZINC000357620633 383889517 /nfs/dbraw/zinc/88/95/17/383889517.db2.gz LGMLVUONFZFBRS-VIFPVBQESA-N 1 2 239.319 1.503 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)c(F)c1 ZINC000088357868 383896230 /nfs/dbraw/zinc/89/62/30/383896230.db2.gz VFILLPAHXNWDDR-LLVKDONJSA-N 1 2 238.262 1.061 20 0 BDADLO CSC[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000066927184 383902865 /nfs/dbraw/zinc/90/28/65/383902865.db2.gz OTEXCQHLOZYSRC-JTQLQIEISA-N 1 2 241.360 1.389 20 0 BDADLO Cc1ccc(NC(=O)N2CCC(O)CC2)c(C)[nH+]1 ZINC000268023703 383984304 /nfs/dbraw/zinc/98/43/04/383984304.db2.gz LCFHIEZJEQVBET-UHFFFAOYSA-N 1 2 249.314 1.687 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)Nc1nnc(C)c(C)n1 ZINC000560227129 383991704 /nfs/dbraw/zinc/99/17/04/383991704.db2.gz KREWEPXUPJNTOE-JTQLQIEISA-N 1 2 246.318 1.878 20 0 BDADLO CC[C@@H](O)[C@@H](CC)Nc1nc[nH+]c(N)c1Cl ZINC000313153657 383961760 /nfs/dbraw/zinc/96/17/60/383961760.db2.gz AQCOUBXOAQASQI-RNFRBKRXSA-N 1 2 244.726 1.674 20 0 BDADLO CC[C@@H](O)[C@@H](CC)Nc1[nH+]cnc(N)c1Cl ZINC000313153657 383961761 /nfs/dbraw/zinc/96/17/61/383961761.db2.gz AQCOUBXOAQASQI-RNFRBKRXSA-N 1 2 244.726 1.674 20 0 BDADLO C[C@H]([NH2+]CC(=O)N(C)C)c1c(F)cccc1F ZINC000037225416 383962512 /nfs/dbraw/zinc/96/25/12/383962512.db2.gz ABFZKDAMHZEHFT-QMMMGPOBSA-N 1 2 242.269 1.704 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)C(F)F ZINC000449359008 383973113 /nfs/dbraw/zinc/97/31/13/383973113.db2.gz HCHVURZIQJQXFX-JGVFFNPUSA-N 1 2 243.319 1.443 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cscn1 ZINC000309444649 384030922 /nfs/dbraw/zinc/03/09/22/384030922.db2.gz LAJWBQDSKWPEPD-DTWKUNHWSA-N 1 2 239.344 1.415 20 0 BDADLO CCC[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000114336117 384031209 /nfs/dbraw/zinc/03/12/09/384031209.db2.gz IJKZXNSFEPMGRZ-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO COC(=O)[C@H](CC(C)C)NCc1c[nH+]cn1C ZINC000090165609 384032097 /nfs/dbraw/zinc/03/20/97/384032097.db2.gz MZQVRVGFOVUFOA-NSHDSACASA-N 1 2 239.319 1.097 20 0 BDADLO COC[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566307688 384055881 /nfs/dbraw/zinc/05/58/81/384055881.db2.gz MRWNFUIJAWFEIS-WDEREUQCSA-N 1 2 239.319 1.328 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C)n2C)o1 ZINC000038097740 384069499 /nfs/dbraw/zinc/06/94/99/384069499.db2.gz YUDMQSYVMMYFRC-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1cc(C(=O)C[NH+]2CCSCC2)c(C)[nH]1 ZINC000050133094 384111579 /nfs/dbraw/zinc/11/15/79/384111579.db2.gz AETXBNFLAAKZBV-UHFFFAOYSA-N 1 2 238.356 1.863 20 0 BDADLO CCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082274915 384093105 /nfs/dbraw/zinc/09/31/05/384093105.db2.gz GZRJEHOQOFKEGE-SNVBAGLBSA-N 1 2 207.277 1.457 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)NCc1c[nH+]cn1C ZINC000334589954 384137171 /nfs/dbraw/zinc/13/71/71/384137171.db2.gz HEUOPUURPSXKIW-LLVKDONJSA-N 1 2 236.319 1.360 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C3CC3)o2)C1 ZINC000560468792 384154298 /nfs/dbraw/zinc/15/42/98/384154298.db2.gz LHZVNVBHUHNLPP-AOOOYVTPSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C3CC3)o2)C1 ZINC000560468792 384154305 /nfs/dbraw/zinc/15/43/05/384154305.db2.gz LHZVNVBHUHNLPP-AOOOYVTPSA-N 1 2 237.303 1.556 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@H]1CC[C@H](C)O1)C1CC1 ZINC000530495300 384155364 /nfs/dbraw/zinc/15/53/64/384155364.db2.gz WHAMTCVDHKDKDW-UFGOTCBOSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCC=CO1 ZINC000050268695 384173101 /nfs/dbraw/zinc/17/31/01/384173101.db2.gz UUCGVKGWHRMJRB-SECBINFHSA-N 1 2 213.277 1.220 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)C1(C)CCCC1 ZINC000518659921 384160427 /nfs/dbraw/zinc/16/04/27/384160427.db2.gz LKNHOVJWGDIJOJ-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO Cn1nccc1CNc1nc[nH+]c(N)c1Cl ZINC000236090203 384181835 /nfs/dbraw/zinc/18/18/35/384181835.db2.gz PHETWXMKMZFZTC-UHFFFAOYSA-N 1 2 238.682 1.058 20 0 BDADLO Cn1nccc1CNc1[nH+]cnc(N)c1Cl ZINC000236090203 384181837 /nfs/dbraw/zinc/18/18/37/384181837.db2.gz PHETWXMKMZFZTC-UHFFFAOYSA-N 1 2 238.682 1.058 20 0 BDADLO CCOC(=O)C[N@H+](CCOC)[C@@H]1C=CCCC1 ZINC000076669307 384202789 /nfs/dbraw/zinc/20/27/89/384202789.db2.gz VHYXUZSWBNQVPX-GFCCVEGCSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC)[C@@H]1C=CCCC1 ZINC000076669307 384202795 /nfs/dbraw/zinc/20/27/95/384202795.db2.gz VHYXUZSWBNQVPX-GFCCVEGCSA-N 1 2 241.331 1.607 20 0 BDADLO CC(=O)c1ccccc1NC(=O)C[NH+]1CCCC1 ZINC000007786284 384187082 /nfs/dbraw/zinc/18/70/82/384187082.db2.gz PXYHECIFJZJSCP-UHFFFAOYSA-N 1 2 246.310 1.924 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccs1 ZINC000093049886 384208057 /nfs/dbraw/zinc/20/80/57/384208057.db2.gz BQPFSUVOPWRMFG-JTQLQIEISA-N 1 2 224.329 1.459 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000093049886 384208064 /nfs/dbraw/zinc/20/80/64/384208064.db2.gz BQPFSUVOPWRMFG-JTQLQIEISA-N 1 2 224.329 1.459 20 0 BDADLO Cc1csc(C[N@@H+](C)Cc2cnn(C)c2)n1 ZINC000118402580 384199857 /nfs/dbraw/zinc/19/98/57/384199857.db2.gz RTXBACAVXJXAQA-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1csc(C[N@H+](C)Cc2cnn(C)c2)n1 ZINC000118402580 384199860 /nfs/dbraw/zinc/19/98/60/384199860.db2.gz RTXBACAVXJXAQA-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1csc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000118402631 384200609 /nfs/dbraw/zinc/20/06/09/384200609.db2.gz RWFGAXXGCONBGX-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1cnc(C[NH2+][C@H](CO)c2ccccc2)nc1 ZINC000359526129 384230447 /nfs/dbraw/zinc/23/04/47/384230447.db2.gz BDBPXSDDEAPJEZ-CYBMUJFWSA-N 1 2 243.310 1.608 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)o1 ZINC000093084542 384209702 /nfs/dbraw/zinc/20/97/02/384209702.db2.gz JTCPKMVOBKPFHE-UHFFFAOYSA-N 1 2 236.315 1.552 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)C2(C)C)o1 ZINC000093084542 384209705 /nfs/dbraw/zinc/20/97/05/384209705.db2.gz JTCPKMVOBKPFHE-UHFFFAOYSA-N 1 2 236.315 1.552 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000093529529 384247534 /nfs/dbraw/zinc/24/75/34/384247534.db2.gz RPVMQSAHRXOLGD-NSHDSACASA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000093529529 384247535 /nfs/dbraw/zinc/24/75/35/384247535.db2.gz RPVMQSAHRXOLGD-NSHDSACASA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2scnc2C)CCO1 ZINC000093529439 384248364 /nfs/dbraw/zinc/24/83/64/384248364.db2.gz CNFGUWWNHUKNKZ-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2scnc2C)CCO1 ZINC000093529439 384248371 /nfs/dbraw/zinc/24/83/71/384248371.db2.gz CNFGUWWNHUKNKZ-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000235220369 384264740 /nfs/dbraw/zinc/26/47/40/384264740.db2.gz KBBFBXXYCHJLTI-RXMQYKEDSA-N 1 2 212.684 1.923 20 0 BDADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000235220369 384264748 /nfs/dbraw/zinc/26/47/48/384264748.db2.gz KBBFBXXYCHJLTI-RXMQYKEDSA-N 1 2 212.684 1.923 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000093771844 384267487 /nfs/dbraw/zinc/26/74/87/384267487.db2.gz XJAWZOGQAVLOKW-NSHDSACASA-N 1 2 238.356 1.849 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000093771844 384267489 /nfs/dbraw/zinc/26/74/89/384267489.db2.gz XJAWZOGQAVLOKW-NSHDSACASA-N 1 2 238.356 1.849 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccsc1 ZINC000093816250 384271587 /nfs/dbraw/zinc/27/15/87/384271587.db2.gz NQPYUQNQEISSNQ-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccsc1 ZINC000093816250 384271591 /nfs/dbraw/zinc/27/15/91/384271591.db2.gz NQPYUQNQEISSNQ-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCOCC1CC1 ZINC000093818687 384271987 /nfs/dbraw/zinc/27/19/87/384271987.db2.gz BVMYQYOVXAFOCL-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCOCC1CC1 ZINC000093818687 384271989 /nfs/dbraw/zinc/27/19/89/384271989.db2.gz BVMYQYOVXAFOCL-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1ccc([C@H]2COCCN2Cc2c[nH+]c[nH]2)o1 ZINC000093459832 384241621 /nfs/dbraw/zinc/24/16/21/384241621.db2.gz AUZBFQXVMDPWPS-GFCCVEGCSA-N 1 2 247.298 1.885 20 0 BDADLO Cc1ccc([C@H]2COCCN2Cc2c[nH]c[nH+]2)o1 ZINC000093459832 384241625 /nfs/dbraw/zinc/24/16/25/384241625.db2.gz AUZBFQXVMDPWPS-GFCCVEGCSA-N 1 2 247.298 1.885 20 0 BDADLO Cc1cccc(CC[N@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000335513128 384303892 /nfs/dbraw/zinc/30/38/92/384303892.db2.gz JUJPOGALLJICKP-LLVKDONJSA-N 1 2 232.327 1.843 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCCCO1 ZINC000119794697 384305547 /nfs/dbraw/zinc/30/55/47/384305547.db2.gz QIDVPOXRZJMCIK-NSHDSACASA-N 1 2 249.314 1.655 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCCc1nc[nH]n1 ZINC000080589668 384306856 /nfs/dbraw/zinc/30/68/56/384306856.db2.gz GNWDNZCVMXZBRB-UHFFFAOYSA-N 1 2 242.286 1.346 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1ccco1 ZINC000083575248 384313160 /nfs/dbraw/zinc/31/31/60/384313160.db2.gz MSCZCWNLOYQLKS-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO Cc1nsc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000083648327 384315463 /nfs/dbraw/zinc/31/54/63/384315463.db2.gz JWZDIIYTVAPFQK-SSDOTTSWSA-N 1 2 223.305 1.544 20 0 BDADLO COC(=O)C1([N@H+](C)Cc2ccncc2)CCCC1 ZINC000133483884 384292364 /nfs/dbraw/zinc/29/23/64/384292364.db2.gz DUSPBJOAWWMLLI-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)C1([N@@H+](C)Cc2ccncc2)CCCC1 ZINC000133483884 384292368 /nfs/dbraw/zinc/29/23/68/384292368.db2.gz DUSPBJOAWWMLLI-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000119733049 384299967 /nfs/dbraw/zinc/29/99/67/384299967.db2.gz AXDOCPXHYLVSDB-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000119733049 384299972 /nfs/dbraw/zinc/29/99/72/384299972.db2.gz AXDOCPXHYLVSDB-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000335513128 384303886 /nfs/dbraw/zinc/30/38/86/384303886.db2.gz JUJPOGALLJICKP-LLVKDONJSA-N 1 2 232.327 1.843 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)NC(C)C ZINC000120278946 384344104 /nfs/dbraw/zinc/34/41/04/384344104.db2.gz YHZMDSJAVBKHPB-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)NC(C)C ZINC000120278946 384344111 /nfs/dbraw/zinc/34/41/11/384344111.db2.gz YHZMDSJAVBKHPB-UHFFFAOYSA-N 1 2 224.304 1.544 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864743 384345411 /nfs/dbraw/zinc/34/54/11/384345411.db2.gz BGPXHWXTRQGGGV-VIFPVBQESA-N 1 2 245.273 1.717 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558864743 384345418 /nfs/dbraw/zinc/34/54/18/384345418.db2.gz BGPXHWXTRQGGGV-VIFPVBQESA-N 1 2 245.273 1.717 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)NC2CC2)o1 ZINC000120338770 384347046 /nfs/dbraw/zinc/34/70/46/384347046.db2.gz VIWYMZURXYBSHV-UHFFFAOYSA-N 1 2 236.315 1.552 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)NC2CC2)o1 ZINC000120338770 384347054 /nfs/dbraw/zinc/34/70/54/384347054.db2.gz VIWYMZURXYBSHV-UHFFFAOYSA-N 1 2 236.315 1.552 20 0 BDADLO CC[N@H+](CCO)Cc1csc(C2CC2)n1 ZINC000120396907 384349895 /nfs/dbraw/zinc/34/98/95/384349895.db2.gz GYTYUEAFMRWBNH-UHFFFAOYSA-N 1 2 226.345 1.835 20 0 BDADLO CC[N@@H+](CCO)Cc1csc(C2CC2)n1 ZINC000120396907 384349897 /nfs/dbraw/zinc/34/98/97/384349897.db2.gz GYTYUEAFMRWBNH-UHFFFAOYSA-N 1 2 226.345 1.835 20 0 BDADLO Cc1cscc1CNc1nc(C)[nH+]c(N)n1 ZINC000304521782 384351270 /nfs/dbraw/zinc/35/12/70/384351270.db2.gz SEXYGXUOLDOVDU-UHFFFAOYSA-N 1 2 235.316 1.744 20 0 BDADLO Cc1cscc1CNc1nc(N)nc(C)[nH+]1 ZINC000304521782 384351272 /nfs/dbraw/zinc/35/12/72/384351272.db2.gz SEXYGXUOLDOVDU-UHFFFAOYSA-N 1 2 235.316 1.744 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1cccnc1 ZINC000134356552 384352842 /nfs/dbraw/zinc/35/28/42/384352842.db2.gz DHFSCXGRNYXMQE-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000134356552 384352846 /nfs/dbraw/zinc/35/28/46/384352846.db2.gz DHFSCXGRNYXMQE-UHFFFAOYSA-N 1 2 235.331 1.430 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)no1 ZINC000159195599 384364571 /nfs/dbraw/zinc/36/45/71/384364571.db2.gz LPCDHRMTKKLDJH-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)no1 ZINC000159195599 384364581 /nfs/dbraw/zinc/36/45/81/384364581.db2.gz LPCDHRMTKKLDJH-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCOc1cccc(C[N@H+](CC)C2COC2)n1 ZINC000449426848 384365565 /nfs/dbraw/zinc/36/55/65/384365565.db2.gz QMJXEHZBKZTRAD-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cccc(C[N@@H+](CC)C2COC2)n1 ZINC000449426848 384365572 /nfs/dbraw/zinc/36/55/72/384365572.db2.gz QMJXEHZBKZTRAD-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000335603028 384372808 /nfs/dbraw/zinc/37/28/08/384372808.db2.gz GIIFJBVNFWKWNG-SCZZXKLOSA-N 1 2 203.289 1.986 20 0 BDADLO O=C(c1cc[nH]n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120123751 384329333 /nfs/dbraw/zinc/32/93/33/384329333.db2.gz SDQJBMFAJJGAAU-SNVBAGLBSA-N 1 2 245.286 1.500 20 0 BDADLO O=C(c1ccn[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120123751 384329338 /nfs/dbraw/zinc/32/93/38/384329338.db2.gz SDQJBMFAJJGAAU-SNVBAGLBSA-N 1 2 245.286 1.500 20 0 BDADLO Cc1nc(N2CCCC(C)(C)C2)nc(N)[nH+]1 ZINC000304560036 384397487 /nfs/dbraw/zinc/39/74/87/384397487.db2.gz YMGIDLZYGOAFOJ-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO Cc1nc(N)nc(N2CCCC(C)(C)C2)[nH+]1 ZINC000304560036 384397498 /nfs/dbraw/zinc/39/74/98/384397498.db2.gz YMGIDLZYGOAFOJ-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO Cc1cccc(C)c1C(=O)NCc1c[nH+]cn1C ZINC000291384904 384378281 /nfs/dbraw/zinc/37/82/81/384378281.db2.gz COFQBQGBVNCORT-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CCCCC1 ZINC000334333044 384445035 /nfs/dbraw/zinc/44/50/35/384445035.db2.gz SHVUXEQOHMZCBF-UHFFFAOYSA-N 1 2 208.309 1.845 20 0 BDADLO C[C@H](NCc1[nH+]ccn1C)C(=O)OC(C)(C)C ZINC000078640771 384454607 /nfs/dbraw/zinc/45/46/07/384454607.db2.gz UIYLBSNYKYKGNJ-VIFPVBQESA-N 1 2 239.319 1.240 20 0 BDADLO CCNC(=O)C(C)(C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000521371961 384428283 /nfs/dbraw/zinc/42/82/83/384428283.db2.gz RLPBXNFIYOSKSM-UHFFFAOYSA-N 1 2 238.335 1.031 20 0 BDADLO CCNC(=O)C(C)(C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000521371961 384428294 /nfs/dbraw/zinc/42/82/94/384428294.db2.gz RLPBXNFIYOSKSM-UHFFFAOYSA-N 1 2 238.335 1.031 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCc1cnn(C)c1 ZINC000121792404 384438689 /nfs/dbraw/zinc/43/86/89/384438689.db2.gz DRCAPHFZOBTCBQ-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cn1ccnc1SCCn1cc[nH+]c1 ZINC000121827880 384441021 /nfs/dbraw/zinc/44/10/21/384441021.db2.gz QFVYTDDDBQVBAE-UHFFFAOYSA-N 1 2 208.290 1.409 20 0 BDADLO Cc1nc(N(C)[C@@H](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000559001159 384466949 /nfs/dbraw/zinc/46/69/49/384466949.db2.gz GRZRDUMSBCWIDV-QMMMGPOBSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@@H](C)C2CC2)[nH+]1 ZINC000559001159 384466956 /nfs/dbraw/zinc/46/69/56/384466956.db2.gz GRZRDUMSBCWIDV-QMMMGPOBSA-N 1 2 235.335 1.481 20 0 BDADLO Cn1ccc(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000096630399 384467770 /nfs/dbraw/zinc/46/77/70/384467770.db2.gz FDULKKWUPMPRCX-CYBMUJFWSA-N 1 2 231.299 1.243 20 0 BDADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC000556748138 384471460 /nfs/dbraw/zinc/47/14/60/384471460.db2.gz HLBJPNHRLIWOOA-QWRGUYRKSA-N 1 2 221.304 1.388 20 0 BDADLO Cc1ccccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000170214070 384500275 /nfs/dbraw/zinc/50/02/75/384500275.db2.gz IUVIBMCPNUOTCR-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1CCSCC1 ZINC000331006779 384501405 /nfs/dbraw/zinc/50/14/05/384501405.db2.gz SRBDMKCPEKQAKW-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(C1CC(=O)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000136747766 384507293 /nfs/dbraw/zinc/50/72/93/384507293.db2.gz AKEMJEYXFQYYDH-NSHDSACASA-N 1 2 247.298 1.442 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000356822125 384492272 /nfs/dbraw/zinc/49/22/72/384492272.db2.gz LQKGZYARWAVZBW-ZJUUUORDSA-N 1 2 207.277 1.318 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000356822125 384492281 /nfs/dbraw/zinc/49/22/81/384492281.db2.gz LQKGZYARWAVZBW-ZJUUUORDSA-N 1 2 207.277 1.318 20 0 BDADLO CSC[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000300763793 384535515 /nfs/dbraw/zinc/53/55/15/384535515.db2.gz ONZRQASTTYDVSS-ZETCQYMHSA-N 1 2 213.306 1.025 20 0 BDADLO CSC[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000300763793 384535522 /nfs/dbraw/zinc/53/55/22/384535522.db2.gz ONZRQASTTYDVSS-ZETCQYMHSA-N 1 2 213.306 1.025 20 0 BDADLO Cc1cnn(C)c1C[NH2+]Cc1ncccc1F ZINC000556838716 384517715 /nfs/dbraw/zinc/51/77/15/384517715.db2.gz STJXCXSARCDDIZ-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ncccc1O ZINC000517852581 384529246 /nfs/dbraw/zinc/52/92/46/384529246.db2.gz IZXFIMJESVJQCM-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000151222322 384561328 /nfs/dbraw/zinc/56/13/28/384561328.db2.gz UALNMIMBDVCWOR-LDYMZIIASA-N 1 2 236.271 1.596 20 0 BDADLO Cc1ccncc1C(=O)NCCn1cc[nH+]c1 ZINC000358040384 384571941 /nfs/dbraw/zinc/57/19/41/384571941.db2.gz DWSOVTNVCJUTHQ-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000049932449 384579312 /nfs/dbraw/zinc/57/93/12/384579312.db2.gz UJFSLHFHCWZKKL-SNVBAGLBSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1occc1C[N@H+]1CCC[C@@H](O)C1 ZINC000049932449 384579320 /nfs/dbraw/zinc/57/93/20/384579320.db2.gz UJFSLHFHCWZKKL-SNVBAGLBSA-N 1 2 239.271 1.023 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nccn2C(F)F)C1 ZINC000334746506 384564251 /nfs/dbraw/zinc/56/42/51/384564251.db2.gz QYTYDIWFFSESGJ-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nccn2C(F)F)C1 ZINC000334746506 384564256 /nfs/dbraw/zinc/56/42/56/384564256.db2.gz QYTYDIWFFSESGJ-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@H](SC)C(=O)NCCCn1cc[nH+]c1 ZINC000123538799 384566174 /nfs/dbraw/zinc/56/61/74/384566174.db2.gz BANRENQTUVEZSQ-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO Cc1nc(N2CCC[C@@H]2CF)nc(N(C)C)[nH+]1 ZINC000338810048 384625420 /nfs/dbraw/zinc/62/54/20/384625420.db2.gz XRMZMDFFIOTEOX-SECBINFHSA-N 1 2 239.298 1.184 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H]2CF)[nH+]1 ZINC000338810048 384625430 /nfs/dbraw/zinc/62/54/30/384625430.db2.gz XRMZMDFFIOTEOX-SECBINFHSA-N 1 2 239.298 1.184 20 0 BDADLO C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC000172765923 384627218 /nfs/dbraw/zinc/62/72/18/384627218.db2.gz ANOZVSHGSRORPD-NXEZZACHSA-N 1 2 245.330 1.988 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647350688 384630559 /nfs/dbraw/zinc/63/05/59/384630559.db2.gz NQYHEIALXVUCFA-WEDXCCLWSA-N 1 2 209.293 1.546 20 0 BDADLO CCc1nc(C)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000517959811 384593633 /nfs/dbraw/zinc/59/36/33/384593633.db2.gz HDUJIKYPKCDEGL-MRVPVSSYSA-N 1 2 248.286 1.760 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000184950600 384664614 /nfs/dbraw/zinc/66/46/14/384664614.db2.gz FATXCXAIUQBTBT-MNOVXSKESA-N 1 2 221.304 1.291 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccccc1 ZINC000255476373 384636293 /nfs/dbraw/zinc/63/62/93/384636293.db2.gz HEUZXAORNVEWFT-VVEJJEBESA-N 1 2 230.311 1.520 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccccc1 ZINC000255476373 384636302 /nfs/dbraw/zinc/63/63/02/384636302.db2.gz HEUZXAORNVEWFT-VVEJJEBESA-N 1 2 230.311 1.520 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N(C)C ZINC000162510029 384636678 /nfs/dbraw/zinc/63/66/78/384636678.db2.gz REUFOXPIUIDESS-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)N(C)C ZINC000162510029 384636682 /nfs/dbraw/zinc/63/66/82/384636682.db2.gz REUFOXPIUIDESS-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO Cc1cnc(C)c(NCCn2cc[nH+]c2)n1 ZINC000082237692 384649697 /nfs/dbraw/zinc/64/96/97/384649697.db2.gz LITJARXJVVZMPB-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(C)n[nH]c2C)no1 ZINC000044692778 384662502 /nfs/dbraw/zinc/66/25/02/384662502.db2.gz JYQBIMNFUOPUNS-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000162755887 384679803 /nfs/dbraw/zinc/67/98/03/384679803.db2.gz ALJBNYIQHQMMNP-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000162755887 384679806 /nfs/dbraw/zinc/67/98/06/384679806.db2.gz ALJBNYIQHQMMNP-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCCSC ZINC000173461909 384685327 /nfs/dbraw/zinc/68/53/27/384685327.db2.gz XJJSUCFVXQWLMR-UHFFFAOYSA-N 1 2 219.350 1.671 20 0 BDADLO Cc1nc(N[C@H]2CC[S@](=O)C2)c(F)c(C)[nH+]1 ZINC000309886344 384691911 /nfs/dbraw/zinc/69/19/11/384691911.db2.gz YMQCMAYRAYVEAL-PWJLMRLQSA-N 1 2 243.307 1.165 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cs1 ZINC000185224766 384693942 /nfs/dbraw/zinc/69/39/42/384693942.db2.gz CCDRLTYCYRHTCF-AYVTZFPOSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cs1 ZINC000185224766 384693948 /nfs/dbraw/zinc/69/39/48/384693948.db2.gz CCDRLTYCYRHTCF-AYVTZFPOSA-N 1 2 246.401 1.650 20 0 BDADLO CCOc1ncccc1NCc1[nH+]ccn1C ZINC000051922310 384703903 /nfs/dbraw/zinc/70/39/03/384703903.db2.gz WTERWATVTXCYAK-UHFFFAOYSA-N 1 2 232.287 1.826 20 0 BDADLO Nc1[nH+]cnc(N2CCC[C@H](O)CC2)c1Cl ZINC000294275788 384713791 /nfs/dbraw/zinc/71/37/91/384713791.db2.gz XLANBPWGIIQFAJ-ZETCQYMHSA-N 1 2 242.710 1.063 20 0 BDADLO Nc1nc[nH+]c(N2CCC[C@H](O)CC2)c1Cl ZINC000294275788 384713797 /nfs/dbraw/zinc/71/37/97/384713797.db2.gz XLANBPWGIIQFAJ-ZETCQYMHSA-N 1 2 242.710 1.063 20 0 BDADLO COCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000082784068 384715832 /nfs/dbraw/zinc/71/58/32/384715832.db2.gz IXQAMXROSYALCI-ZJUUUORDSA-N 1 2 231.336 1.731 20 0 BDADLO Cc1nn(C)cc1C[NH2+]Cc1nccs1 ZINC000125976735 384721478 /nfs/dbraw/zinc/72/14/78/384721478.db2.gz IENSFFFGBMAKOK-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000125612521 384733645 /nfs/dbraw/zinc/73/36/45/384733645.db2.gz LTGHSVMFOGFOHJ-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000125612521 384733654 /nfs/dbraw/zinc/73/36/54/384733654.db2.gz LTGHSVMFOGFOHJ-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000308458003 384733533 /nfs/dbraw/zinc/73/35/33/384733533.db2.gz NBEWFKMBYCCOLG-VIFPVBQESA-N 1 2 209.280 1.979 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000308458003 384733538 /nfs/dbraw/zinc/73/35/38/384733538.db2.gz NBEWFKMBYCCOLG-VIFPVBQESA-N 1 2 209.280 1.979 20 0 BDADLO Cc1ncc(C[NH+]2CCN(C)CC2)s1 ZINC000060961318 384750726 /nfs/dbraw/zinc/75/07/26/384750726.db2.gz KEMHZCITVZXNOS-UHFFFAOYSA-N 1 2 211.334 1.199 20 0 BDADLO CC[C@@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000360296249 384826848 /nfs/dbraw/zinc/82/68/48/384826848.db2.gz OFMBPAZRUQXMBN-SECBINFHSA-N 1 2 224.308 1.360 20 0 BDADLO c1cc(N2CCO[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000362679404 384781776 /nfs/dbraw/zinc/78/17/76/384781776.db2.gz FILZSBHTRNEOGG-LBPRGKRZSA-N 1 2 245.326 1.969 20 0 BDADLO Cc1nsc(NCc2[nH+]ccn2C)n1 ZINC000083648650 384787537 /nfs/dbraw/zinc/78/75/37/384787537.db2.gz LMUBXJHITLEVKF-UHFFFAOYSA-N 1 2 209.278 1.192 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000174414164 384788571 /nfs/dbraw/zinc/78/85/71/384788571.db2.gz XFIHWNYJPJVCJW-QMMMGPOBSA-N 1 2 207.277 1.931 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000174414164 384788576 /nfs/dbraw/zinc/78/85/76/384788576.db2.gz XFIHWNYJPJVCJW-QMMMGPOBSA-N 1 2 207.277 1.931 20 0 BDADLO COCC1=CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185962315 384796098 /nfs/dbraw/zinc/79/60/98/384796098.db2.gz MFHBUHGOUZSQJH-UHFFFAOYSA-N 1 2 219.288 1.568 20 0 BDADLO O=C(/C=C\c1ccccc1)NCCc1[nH]cc[nH+]1 ZINC000255564079 384836457 /nfs/dbraw/zinc/83/64/57/384836457.db2.gz BQYGISAZFXUCPK-SREVYHEPSA-N 1 2 241.294 1.782 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000163472945 384808484 /nfs/dbraw/zinc/80/84/84/384808484.db2.gz FUXUUJCHHIXUFZ-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000163472945 384808494 /nfs/dbraw/zinc/80/84/94/384808494.db2.gz FUXUUJCHHIXUFZ-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC[C@@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000310040860 384811068 /nfs/dbraw/zinc/81/10/68/384811068.db2.gz XXQPERRCYGACGI-QMMMGPOBSA-N 1 2 220.276 1.449 20 0 BDADLO CCN(C(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000360291635 384814667 /nfs/dbraw/zinc/81/46/67/384814667.db2.gz WEKRUWYGHASJMR-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CSC[C@H](CCO)Nc1cc(C)[nH+]cn1 ZINC000301360089 384870438 /nfs/dbraw/zinc/87/04/38/384870438.db2.gz OMRQLMUCAIXNJD-VIFPVBQESA-N 1 2 227.333 1.311 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)C[C@H](C)O ZINC000175263222 384887114 /nfs/dbraw/zinc/88/71/14/384887114.db2.gz IGLPCLOIJSNQHP-JTQLQIEISA-N 1 2 211.309 1.277 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)C[C@H](C)O ZINC000175263222 384887117 /nfs/dbraw/zinc/88/71/17/384887117.db2.gz IGLPCLOIJSNQHP-JTQLQIEISA-N 1 2 211.309 1.277 20 0 BDADLO Cc1nc(N[C@H]2CCCC23CC3)nc(N)[nH+]1 ZINC000631417450 384855775 /nfs/dbraw/zinc/85/57/75/384855775.db2.gz AYTWEJSGEKDZGX-QMMMGPOBSA-N 1 2 219.292 1.337 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCCC23CC3)[nH+]1 ZINC000631417450 384855782 /nfs/dbraw/zinc/85/57/82/384855782.db2.gz AYTWEJSGEKDZGX-QMMMGPOBSA-N 1 2 219.292 1.337 20 0 BDADLO CN(C(=O)C[N@H+](C)CCC(F)(F)F)C1CC1 ZINC000101731004 384857957 /nfs/dbraw/zinc/85/79/57/384857957.db2.gz XNHFVZKHSATLOZ-UHFFFAOYSA-N 1 2 238.253 1.491 20 0 BDADLO CN(C(=O)C[N@@H+](C)CCC(F)(F)F)C1CC1 ZINC000101731004 384857964 /nfs/dbraw/zinc/85/79/64/384857964.db2.gz XNHFVZKHSATLOZ-UHFFFAOYSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1cccnc1 ZINC000359132808 384891583 /nfs/dbraw/zinc/89/15/83/384891583.db2.gz NVYZPWJKAYJJOW-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1cccnc1 ZINC000359132808 384891589 /nfs/dbraw/zinc/89/15/89/384891589.db2.gz NVYZPWJKAYJJOW-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H](C[N@@H+]1CCC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336267549 384903786 /nfs/dbraw/zinc/90/37/86/384903786.db2.gz WPBHNXRTPYZVQA-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@@H](C[N@H+]1CCC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336267549 384903807 /nfs/dbraw/zinc/90/38/07/384903807.db2.gz WPBHNXRTPYZVQA-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301811010 384932607 /nfs/dbraw/zinc/93/26/07/384932607.db2.gz ZGUFTPIZWBIIQL-SSDOTTSWSA-N 1 2 218.260 1.005 20 0 BDADLO CCc1cc(N)nc(S[C@@H]2CCOC2=O)[nH+]1 ZINC000279135949 384933293 /nfs/dbraw/zinc/93/32/93/384933293.db2.gz XEQCUXRWTYKLNB-SSDOTTSWSA-N 1 2 239.300 1.029 20 0 BDADLO CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000557443734 384947491 /nfs/dbraw/zinc/94/74/91/384947491.db2.gz FPQZWGUIDPTKNF-ZETCQYMHSA-N 1 2 249.236 1.592 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1=COCCC1 ZINC000107539139 384976318 /nfs/dbraw/zinc/97/63/18/384976318.db2.gz XSYKUOFODBVKMA-UHFFFAOYSA-N 1 2 235.287 1.073 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568651717 384976695 /nfs/dbraw/zinc/97/66/95/384976695.db2.gz HKHRABQPQNTVQA-KXUCPTDWSA-N 1 2 221.304 1.879 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(n2cccn2)C1 ZINC000644900225 384979520 /nfs/dbraw/zinc/97/95/20/384979520.db2.gz CIMAVSBKSHUQFL-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO CCCCNC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000128020556 384980786 /nfs/dbraw/zinc/98/07/86/384980786.db2.gz JRADOSRZAJCEIT-GFCCVEGCSA-N 1 2 249.358 1.991 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000128020556 384980795 /nfs/dbraw/zinc/98/07/95/384980795.db2.gz JRADOSRZAJCEIT-GFCCVEGCSA-N 1 2 249.358 1.991 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000037087391 384997982 /nfs/dbraw/zinc/99/79/82/384997982.db2.gz PWIZAYRSRGIOPU-LBPRGKRZSA-N 1 2 245.330 1.619 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000336305210 385001444 /nfs/dbraw/zinc/00/14/44/385001444.db2.gz BAMPOBZIKBCVSC-BONVTDFDSA-N 1 2 235.368 1.968 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000336305210 385001448 /nfs/dbraw/zinc/00/14/48/385001448.db2.gz BAMPOBZIKBCVSC-BONVTDFDSA-N 1 2 235.368 1.968 20 0 BDADLO COC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC000129546465 385003866 /nfs/dbraw/zinc/00/38/66/385003866.db2.gz NEOGLMWOBCMJLH-JTQLQIEISA-N 1 2 207.277 1.622 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CSCCS1 ZINC000129890400 385013051 /nfs/dbraw/zinc/01/30/51/385013051.db2.gz JHZSJAWYYWFPME-JTQLQIEISA-N 1 2 243.401 1.656 20 0 BDADLO Cc1c[nH+]c(CN[C@H]2CCC[C@H]2F)n1C ZINC000339586005 385020650 /nfs/dbraw/zinc/02/06/50/385020650.db2.gz DMLSYIGPGXSOIP-ZJUUUORDSA-N 1 2 211.284 1.709 20 0 BDADLO Cc1cnc(N[C@H](C)C[NH+]2CCOCC2)s1 ZINC000302082663 384963740 /nfs/dbraw/zinc/96/37/40/384963740.db2.gz CTAOJKHWHXEYCY-SECBINFHSA-N 1 2 241.360 1.584 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)OCC(C)C ZINC000530774774 385051734 /nfs/dbraw/zinc/05/17/34/385051734.db2.gz UCSZXCNKEJOBDP-JTQLQIEISA-N 1 2 239.319 1.395 20 0 BDADLO Cn1nccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000334150133 385053383 /nfs/dbraw/zinc/05/33/83/385053383.db2.gz IMNYIKJUOIKRJQ-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1nccc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000334150133 385053384 /nfs/dbraw/zinc/05/33/84/385053384.db2.gz IMNYIKJUOIKRJQ-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO O=S1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000336323190 385056186 /nfs/dbraw/zinc/05/61/86/385056186.db2.gz GRBZJSHEFRRSKI-SECBINFHSA-N 1 2 237.315 1.486 20 0 BDADLO CCc1cc(N)nc(SC[C@@H](C)OC)[nH+]1 ZINC000279151388 385056932 /nfs/dbraw/zinc/05/69/32/385056932.db2.gz ZWRKNHBNNFNUFR-SSDOTTSWSA-N 1 2 227.333 1.748 20 0 BDADLO C[C@@H](NC(=O)c1cnn2c1CCC2)c1[nH]cc[nH+]1 ZINC000518396683 385057313 /nfs/dbraw/zinc/05/73/13/385057313.db2.gz HJDQUVSQSMXCON-MRVPVSSYSA-N 1 2 245.286 1.043 20 0 BDADLO c1cn(C[C@@H]2CCCN(c3cccc[nH+]3)C2)nn1 ZINC000128674301 385063089 /nfs/dbraw/zinc/06/30/89/385063089.db2.gz VVAZGMXJWDUIAF-GFCCVEGCSA-N 1 2 243.314 1.590 20 0 BDADLO O=C(/C=C\c1ccsc1)NCCn1cc[nH+]c1 ZINC000491188185 385070015 /nfs/dbraw/zinc/07/00/15/385070015.db2.gz WLPHWHHGHLIHAS-UPHRSURJSA-N 1 2 247.323 1.774 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H](CO)C2)o1 ZINC000128402635 385035069 /nfs/dbraw/zinc/03/50/69/385035069.db2.gz YEBONCGYEPJVNB-LBPRGKRZSA-N 1 2 225.288 1.035 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H](CO)C2)o1 ZINC000128402635 385035075 /nfs/dbraw/zinc/03/50/75/385035075.db2.gz YEBONCGYEPJVNB-LBPRGKRZSA-N 1 2 225.288 1.035 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)n2cncn2)c(C)[nH+]1 ZINC000176205059 385040500 /nfs/dbraw/zinc/04/05/00/385040500.db2.gz FDHIOALPAOMRIQ-JTQLQIEISA-N 1 2 245.286 1.490 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000557752893 385114087 /nfs/dbraw/zinc/11/40/87/385114087.db2.gz LWTUEUFZCXAAQO-SCZZXKLOSA-N 1 2 228.299 1.675 20 0 BDADLO CO[C@@H](C)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000189046804 385117347 /nfs/dbraw/zinc/11/73/47/385117347.db2.gz NXOQLUVBBRFIMT-JTQLQIEISA-N 1 2 247.298 1.028 20 0 BDADLO Nc1ccc(NC(=O)CC[C@H]2CCCO2)c[nH+]1 ZINC000087236824 385086352 /nfs/dbraw/zinc/08/63/52/385086352.db2.gz XSXAJFHZEQYICA-SNVBAGLBSA-N 1 2 235.287 1.562 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cnccc2C)[nH]1 ZINC000644682738 385095801 /nfs/dbraw/zinc/09/58/01/385095801.db2.gz MOEWMCUVALMJMH-SECBINFHSA-N 1 2 231.303 1.667 20 0 BDADLO Cc1nc(NC[C@H](C)C(C)C)nc(N)[nH+]1 ZINC000308785104 385101045 /nfs/dbraw/zinc/10/10/45/385101045.db2.gz AQAYCOHAOPJRSI-ZETCQYMHSA-N 1 2 209.297 1.466 20 0 BDADLO Cc1nc(N)nc(NC[C@H](C)C(C)C)[nH+]1 ZINC000308785104 385101050 /nfs/dbraw/zinc/10/10/50/385101050.db2.gz AQAYCOHAOPJRSI-ZETCQYMHSA-N 1 2 209.297 1.466 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCO2)o1 ZINC000246074273 385103496 /nfs/dbraw/zinc/10/34/96/385103496.db2.gz DDMUMKDOUKUFEG-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000246074273 385103502 /nfs/dbraw/zinc/10/35/02/385103502.db2.gz DDMUMKDOUKUFEG-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052456 385150057 /nfs/dbraw/zinc/15/00/57/385150057.db2.gz ROOGCVIYHYZNBF-NXEZZACHSA-N 1 2 239.290 1.908 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccncc2)C[C@@H](C)O1 ZINC000189462909 385157860 /nfs/dbraw/zinc/15/78/60/385157860.db2.gz JCFZZQDGNXRNBO-DGCLKSJQSA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H](C)O1 ZINC000189462909 385157863 /nfs/dbraw/zinc/15/78/63/385157863.db2.gz JCFZZQDGNXRNBO-DGCLKSJQSA-N 1 2 236.315 1.317 20 0 BDADLO c1cc(N2CCCC2)[nH+]cc1N[C@H]1CCOC1 ZINC000109430021 385161735 /nfs/dbraw/zinc/16/17/35/385161735.db2.gz WBKHHHLQVLNJNU-LBPRGKRZSA-N 1 2 233.315 1.883 20 0 BDADLO Cc1ccc(NC(=O)N2CC[C@H](O)C2)c(C)[nH+]1 ZINC000152356398 385178262 /nfs/dbraw/zinc/17/82/62/385178262.db2.gz VEQMASJMZOBLNG-JTQLQIEISA-N 1 2 235.287 1.297 20 0 BDADLO Cn1c[nH+]cc1CN1CCOc2ccccc21 ZINC000177251527 385210497 /nfs/dbraw/zinc/21/04/97/385210497.db2.gz AXAMWSUOWRYGTD-UHFFFAOYSA-N 1 2 229.283 1.819 20 0 BDADLO CN(Cc1ccco1)c1nc[nH+]c(N)c1Cl ZINC000227842505 385256716 /nfs/dbraw/zinc/25/67/16/385256716.db2.gz NYFIYDRJDRYJJW-UHFFFAOYSA-N 1 2 238.678 1.942 20 0 BDADLO CN(Cc1ccco1)c1[nH+]cnc(N)c1Cl ZINC000227842505 385256726 /nfs/dbraw/zinc/25/67/26/385256726.db2.gz NYFIYDRJDRYJJW-UHFFFAOYSA-N 1 2 238.678 1.942 20 0 BDADLO Cc1csc(C[N@H+](CC(N)=O)C(C)(C)C)n1 ZINC000130222338 385231223 /nfs/dbraw/zinc/23/12/23/385231223.db2.gz IYANTEKJWIKHPS-UHFFFAOYSA-N 1 2 241.360 1.537 20 0 BDADLO Cc1csc(C[N@@H+](CC(N)=O)C(C)(C)C)n1 ZINC000130222338 385231230 /nfs/dbraw/zinc/23/12/30/385231230.db2.gz IYANTEKJWIKHPS-UHFFFAOYSA-N 1 2 241.360 1.537 20 0 BDADLO OCC[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000647249547 385232441 /nfs/dbraw/zinc/23/24/41/385232441.db2.gz BUZMGAOXUJJZEH-LBPRGKRZSA-N 1 2 249.289 1.762 20 0 BDADLO OCC[C@H](NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000647249547 385232444 /nfs/dbraw/zinc/23/24/44/385232444.db2.gz BUZMGAOXUJJZEH-LBPRGKRZSA-N 1 2 249.289 1.762 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000130420396 385246654 /nfs/dbraw/zinc/24/66/54/385246654.db2.gz LIOJROZYBUNPHI-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000130420396 385246661 /nfs/dbraw/zinc/24/66/61/385246661.db2.gz LIOJROZYBUNPHI-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290683234 385254688 /nfs/dbraw/zinc/25/46/88/385254688.db2.gz IYFWJTCTBAFVHA-KOLCDFICSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000308844012 385205449 /nfs/dbraw/zinc/20/54/49/385205449.db2.gz LGGRTLHIDICXKR-QMMMGPOBSA-N 1 2 214.288 1.481 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCCc3ccccc32)n1 ZINC000152681667 385313023 /nfs/dbraw/zinc/31/30/23/385313023.db2.gz XDWXSFNZRYVRIX-ZDUSSCGKSA-N 1 2 242.326 1.982 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cncs1 ZINC000131196313 385317319 /nfs/dbraw/zinc/31/73/19/385317319.db2.gz UPWSRERKIZSABB-RMLUDKJBSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cncs1 ZINC000131196313 385317326 /nfs/dbraw/zinc/31/73/26/385317326.db2.gz UPWSRERKIZSABB-RMLUDKJBSA-N 1 2 232.374 1.342 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1(C2CC2)CC1 ZINC000131236987 385321883 /nfs/dbraw/zinc/32/18/83/385321883.db2.gz GKPDFKNMHSDXBR-UHFFFAOYSA-N 1 2 243.314 1.965 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000424964836 385259595 /nfs/dbraw/zinc/25/95/95/385259595.db2.gz GFIRVPOWKYHKNP-VHSXEESVSA-N 1 2 231.299 1.114 20 0 BDADLO COC[C@@H](NCc1[nH+]ccn1C)c1ccco1 ZINC000177571795 385263665 /nfs/dbraw/zinc/26/36/65/385263665.db2.gz YHBHYLGYVHPXAY-SNVBAGLBSA-N 1 2 235.287 1.490 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000407980338 385280337 /nfs/dbraw/zinc/28/03/37/385280337.db2.gz IJCIMBGIMFVZME-IUCAKERBSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000407980338 385280343 /nfs/dbraw/zinc/28/03/43/385280343.db2.gz IJCIMBGIMFVZME-IUCAKERBSA-N 1 2 225.292 1.407 20 0 BDADLO CC(C)n1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000558060288 385293241 /nfs/dbraw/zinc/29/32/41/385293241.db2.gz LDXRJBQODUUPOL-UHFFFAOYSA-N 1 2 233.275 1.299 20 0 BDADLO CC(C)=CCNC(=O)NCc1c[nH+]cn1C ZINC000292242654 385295158 /nfs/dbraw/zinc/29/51/58/385295158.db2.gz DQJZWHGHCCAKES-UHFFFAOYSA-N 1 2 222.292 1.186 20 0 BDADLO c1cn(CC2CCC3(CC2)OCCO3)c[nH+]1 ZINC000192142478 385344944 /nfs/dbraw/zinc/34/49/44/385344944.db2.gz DXIGWNNWKNHOMA-UHFFFAOYSA-N 1 2 222.288 1.816 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000643983685 385351198 /nfs/dbraw/zinc/35/11/98/385351198.db2.gz QXBXGZMCSMWVTE-HTRCEHHLSA-N 1 2 213.306 1.058 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000643983686 385351358 /nfs/dbraw/zinc/35/13/58/385351358.db2.gz QXBXGZMCSMWVTE-POYBYMJQSA-N 1 2 213.306 1.058 20 0 BDADLO CC[C@@H]([NH2+]CCc1nccs1)C(=O)OC ZINC000168351825 385362341 /nfs/dbraw/zinc/36/23/41/385362341.db2.gz RBXGSZVFVVXXMI-MRVPVSSYSA-N 1 2 228.317 1.227 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CCC1CC1 ZINC000154890289 385364842 /nfs/dbraw/zinc/36/48/42/385364842.db2.gz XMYQQGUWEZFVFO-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CS[C@@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000155014107 385370936 /nfs/dbraw/zinc/37/09/36/385370936.db2.gz TVIZVLZVRYXHQL-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000179337407 385373928 /nfs/dbraw/zinc/37/39/28/385373928.db2.gz PECRWVSHLTVWFO-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO COC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110111818 385380666 /nfs/dbraw/zinc/38/06/66/385380666.db2.gz KGESRQMBDZLZAB-MRVPVSSYSA-N 1 2 207.277 1.801 20 0 BDADLO CC(C)c1nc(NCCOCCO)cc[nH+]1 ZINC000110112851 385381358 /nfs/dbraw/zinc/38/13/58/385381358.db2.gz WZDLXJQKFDJXMH-UHFFFAOYSA-N 1 2 225.292 1.021 20 0 BDADLO c1cncc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000193699969 385409519 /nfs/dbraw/zinc/40/95/19/385409519.db2.gz SJVXMJUXSKPQKJ-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO c1cncc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193699969 385409522 /nfs/dbraw/zinc/40/95/22/385409522.db2.gz SJVXMJUXSKPQKJ-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO CCN(CC[NH2+][C@@H](C)c1cnccn1)C1CC1 ZINC000155849156 385418559 /nfs/dbraw/zinc/41/85/59/385418559.db2.gz JEPNCGRRZZJGNI-NSHDSACASA-N 1 2 234.347 1.612 20 0 BDADLO Cc1ccc(NC(=O)c2cn(C)cn2)c(C)[nH+]1 ZINC000179085700 385439225 /nfs/dbraw/zinc/43/92/25/385439225.db2.gz TZFXOBPRYCEZGK-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000156179977 385439579 /nfs/dbraw/zinc/43/95/79/385439579.db2.gz HZMIIOVKJWVQDM-MNOVXSKESA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000156179977 385439583 /nfs/dbraw/zinc/43/95/83/385439583.db2.gz HZMIIOVKJWVQDM-MNOVXSKESA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N1CCCC1 ZINC000170744047 385442636 /nfs/dbraw/zinc/44/26/36/385442636.db2.gz RZAOXIROHOCMFL-GFCCVEGCSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCCC1 ZINC000170744047 385442641 /nfs/dbraw/zinc/44/26/41/385442641.db2.gz RZAOXIROHOCMFL-GFCCVEGCSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)n1cncn1 ZINC000170955903 385458151 /nfs/dbraw/zinc/45/81/51/385458151.db2.gz DKBXZUISUFWGGX-VIFPVBQESA-N 1 2 231.259 1.181 20 0 BDADLO CC(C)(O)[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862906 385453077 /nfs/dbraw/zinc/45/30/77/385453077.db2.gz LNEGRNYYJFNPDI-GZTOBOFZSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492867591 385455499 /nfs/dbraw/zinc/45/54/99/385455499.db2.gz RTTDPRDNSGDTEQ-XKFHPXPTSA-N 1 2 233.315 1.975 20 0 BDADLO O=C(CCCn1cccc1)NC1=[NH+]CCS1 ZINC000155987083 385427107 /nfs/dbraw/zinc/42/71/07/385427107.db2.gz DFVLRBFMQMRRAQ-UHFFFAOYSA-N 1 2 237.328 1.487 20 0 BDADLO COC(=O)C[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000179395050 385465741 /nfs/dbraw/zinc/46/57/41/385465741.db2.gz DLTYCTARAOPPKL-UHFFFAOYSA-N 1 2 247.294 1.567 20 0 BDADLO COC(=O)C[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000179395050 385465746 /nfs/dbraw/zinc/46/57/46/385465746.db2.gz DLTYCTARAOPPKL-UHFFFAOYSA-N 1 2 247.294 1.567 20 0 BDADLO CC(C)(C)CCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492922288 385466497 /nfs/dbraw/zinc/46/64/97/385466497.db2.gz NALUQYQRDRDYGW-SNAWJCMRSA-N 1 2 237.303 1.907 20 0 BDADLO CC(C)(F)C(=O)NCCCNc1cccc[nH+]1 ZINC000156822342 385469135 /nfs/dbraw/zinc/46/91/35/385469135.db2.gz GDYWCTJAZFJEOR-UHFFFAOYSA-N 1 2 239.294 1.748 20 0 BDADLO Cn1c[nH+]cc1Cn1c(=O)sc2c1CCCC2 ZINC000336158416 385470035 /nfs/dbraw/zinc/47/00/35/385470035.db2.gz FUZZPWJBMJFFSO-UHFFFAOYSA-N 1 2 249.339 1.570 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000336222686 385476198 /nfs/dbraw/zinc/47/61/98/385476198.db2.gz BMDHPEZWFUYAAU-MRVPVSSYSA-N 1 2 229.324 1.753 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000336222686 385476201 /nfs/dbraw/zinc/47/62/01/385476201.db2.gz BMDHPEZWFUYAAU-MRVPVSSYSA-N 1 2 229.324 1.753 20 0 BDADLO CC(C)n1cc(C[N@H+](CC(N)=O)C(C)C)cn1 ZINC000179659380 385482476 /nfs/dbraw/zinc/48/24/76/385482476.db2.gz PDCYMPIBUWVZFW-UHFFFAOYSA-N 1 2 238.335 1.160 20 0 BDADLO CC(C)n1cc(C[N@@H+](CC(N)=O)C(C)C)cn1 ZINC000179659380 385482483 /nfs/dbraw/zinc/48/24/83/385482483.db2.gz PDCYMPIBUWVZFW-UHFFFAOYSA-N 1 2 238.335 1.160 20 0 BDADLO CC(C)N1CCC[C@H](n2cc[nH+]c2)C1=O ZINC000179312791 385459775 /nfs/dbraw/zinc/45/97/75/385459775.db2.gz KZQRZTLJGXAZOO-JTQLQIEISA-N 1 2 207.277 1.455 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCO[C@@H](C)C1 ZINC000179849447 385494807 /nfs/dbraw/zinc/49/48/07/385494807.db2.gz BLPQASNRVFQOJO-JTQLQIEISA-N 1 2 235.287 1.643 20 0 BDADLO Cc1nc(Cl)cc(NCCn2cc[nH+]c2)n1 ZINC000052836637 385498086 /nfs/dbraw/zinc/49/80/86/385498086.db2.gz XRXYWLMDPYITJB-UHFFFAOYSA-N 1 2 237.694 1.747 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000336580785 385508434 /nfs/dbraw/zinc/50/84/34/385508434.db2.gz INPPHIJQDODJPG-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000336580785 385508438 /nfs/dbraw/zinc/50/84/38/385508438.db2.gz INPPHIJQDODJPG-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CCCCN(CC)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368484502 385509936 /nfs/dbraw/zinc/50/99/36/385509936.db2.gz AADPEHZJGRGDRV-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO COC(=O)CCNc1cc[nH+]c(C(C)C)n1 ZINC000106464004 385510159 /nfs/dbraw/zinc/51/01/59/385510159.db2.gz GYIPTICCHYTSOJ-UHFFFAOYSA-N 1 2 223.276 1.575 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000157709943 385518281 /nfs/dbraw/zinc/51/82/81/385518281.db2.gz VBWKZZOYHOKLMH-VIFPVBQESA-N 1 2 207.277 1.045 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000109888950 385489836 /nfs/dbraw/zinc/48/98/36/385489836.db2.gz QHSWTHKXBUAIPL-UHFFFAOYSA-N 1 2 218.212 1.941 20 0 BDADLO Cc1ccc(NC(=O)N(C)[C@H](C)CO)c(C)[nH+]1 ZINC000180572292 385529963 /nfs/dbraw/zinc/52/99/63/385529963.db2.gz OZFWKVBAGGYSHK-SECBINFHSA-N 1 2 237.303 1.543 20 0 BDADLO COC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000082254824 385547764 /nfs/dbraw/zinc/54/77/64/385547764.db2.gz QEMLAMBHUOKOPC-LLVKDONJSA-N 1 2 249.314 1.527 20 0 BDADLO Cc1ocnc1C(=O)Nc1cc[nH+]cc1C ZINC000107290196 385561170 /nfs/dbraw/zinc/56/11/70/385561170.db2.gz XHJPXFWRDYYWFQ-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO COC(=O)C(C)(C)CC[NH2+]C1(C(F)F)CC1 ZINC000309403899 385571467 /nfs/dbraw/zinc/57/14/67/385571467.db2.gz APNQYOVHZISOGQ-UHFFFAOYSA-N 1 2 235.274 1.963 20 0 BDADLO Cc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)o1 ZINC000340058216 385606185 /nfs/dbraw/zinc/60/61/85/385606185.db2.gz HZWZPPFVMZXUQL-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO FC(F)O[C@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000337312725 385604118 /nfs/dbraw/zinc/60/41/18/385604118.db2.gz VUHVPSUJRBNNFZ-BDAKNGLRSA-N 1 2 231.246 1.660 20 0 BDADLO FC(F)O[C@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000337312729 385605254 /nfs/dbraw/zinc/60/52/54/385605254.db2.gz VUHVPSUJRBNNFZ-IUCAKERBSA-N 1 2 231.246 1.660 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1nc(C)ccc1O ZINC000280921540 385617700 /nfs/dbraw/zinc/61/77/00/385617700.db2.gz RDWOKKHLYVXGPR-SECBINFHSA-N 1 2 238.287 1.089 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1nc(C)ccc1O ZINC000280921540 385617705 /nfs/dbraw/zinc/61/77/05/385617705.db2.gz RDWOKKHLYVXGPR-SECBINFHSA-N 1 2 238.287 1.089 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc(C(F)F)o1 ZINC000309490597 385618764 /nfs/dbraw/zinc/61/87/64/385618764.db2.gz IKLAJDWQUCRQMI-UHFFFAOYSA-N 1 2 229.190 1.353 20 0 BDADLO CC[C@H](SC)C(=O)NCc1[nH]c[nH+]c1C ZINC000269665500 385620139 /nfs/dbraw/zinc/62/01/39/385620139.db2.gz LPVMRFOOLGTBPK-VIFPVBQESA-N 1 2 227.333 1.476 20 0 BDADLO CC[C@@H](CC(F)F)C[NH+]1CCS(=O)CC1 ZINC000595316456 385625117 /nfs/dbraw/zinc/62/51/17/385625117.db2.gz FWSJIQZSTYCVGM-VIFPVBQESA-N 1 2 239.331 1.732 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC(=O)[C@@H](C)C1 ZINC000281022116 385628572 /nfs/dbraw/zinc/62/85/72/385628572.db2.gz SIZAWHFIHFHXLS-JTQLQIEISA-N 1 2 247.298 1.833 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(F)c1)CC1OCCO1 ZINC000182033173 385629614 /nfs/dbraw/zinc/62/96/14/385629614.db2.gz USTSGSGXQNROPD-UHFFFAOYSA-N 1 2 243.253 1.770 20 0 BDADLO C[N@H+](Cc1ccc(F)c(F)c1)CC1OCCO1 ZINC000182033173 385629620 /nfs/dbraw/zinc/62/96/20/385629620.db2.gz USTSGSGXQNROPD-UHFFFAOYSA-N 1 2 243.253 1.770 20 0 BDADLO CC(C)(C[NH2+]Cc1ccn[nH]1)OCC1CC1 ZINC000414513765 385633775 /nfs/dbraw/zinc/63/37/75/385633775.db2.gz GSLJKERMOARKLB-UHFFFAOYSA-N 1 2 223.320 1.705 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CC=CCC1 ZINC000280862570 385612057 /nfs/dbraw/zinc/61/20/57/385612057.db2.gz XEDLFEUEEWEOAR-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO c1cn2ccc(CNc3ncccn3)cc2[nH+]1 ZINC000340059725 385612398 /nfs/dbraw/zinc/61/23/98/385612398.db2.gz MAOHYBZPIBNKFC-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1csc(C)n1 ZINC000280866249 385612426 /nfs/dbraw/zinc/61/24/26/385612426.db2.gz ZDOGNDQNFYTCIU-MRVPVSSYSA-N 1 2 242.344 1.487 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1csc(C)n1 ZINC000280866249 385612430 /nfs/dbraw/zinc/61/24/30/385612430.db2.gz ZDOGNDQNFYTCIU-MRVPVSSYSA-N 1 2 242.344 1.487 20 0 BDADLO C[C@@H]([NH2+]CC(N)=O)c1nc(C(C)(C)C)cs1 ZINC000184472080 385664334 /nfs/dbraw/zinc/66/43/34/385664334.db2.gz GNHOLLACKSIUQL-SSDOTTSWSA-N 1 2 241.360 1.577 20 0 BDADLO Cc1nsc(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000292280377 385637815 /nfs/dbraw/zinc/63/78/15/385637815.db2.gz SBOSTKNMWMEBPJ-UHFFFAOYSA-N 1 2 239.344 1.148 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000366567344 385647524 /nfs/dbraw/zinc/64/75/24/385647524.db2.gz CIFQWKNFUHJRHD-ZYHUDNBSSA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000366567344 385647529 /nfs/dbraw/zinc/64/75/29/385647529.db2.gz CIFQWKNFUHJRHD-ZYHUDNBSSA-N 1 2 249.310 1.483 20 0 BDADLO CO[C@@](C)(CNc1cc(C)[nH+]cn1)C1CC1 ZINC000336683620 385649059 /nfs/dbraw/zinc/64/90/59/385649059.db2.gz ZDYDWHMSPKQZKZ-LBPRGKRZSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C1CC1)C1CC1 ZINC000269943429 385649844 /nfs/dbraw/zinc/64/98/44/385649844.db2.gz LMUUGWBNTZIWRR-SNVBAGLBSA-N 1 2 247.342 1.824 20 0 BDADLO C[C@H](F)CC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307047794 385650630 /nfs/dbraw/zinc/65/06/30/385650630.db2.gz BMYATHFNFBLGGB-IGJMFERPSA-N 1 2 207.314 1.187 20 0 BDADLO C[C@H](F)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000307047794 385650636 /nfs/dbraw/zinc/65/06/36/385650636.db2.gz BMYATHFNFBLGGB-IGJMFERPSA-N 1 2 207.314 1.187 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCC1=CCCC1 ZINC000269976914 385654666 /nfs/dbraw/zinc/65/46/66/385654666.db2.gz NSFCYDXKIFBOFQ-UHFFFAOYSA-N 1 2 248.330 1.720 20 0 BDADLO CSCCC[N@H+](C)Cc1csnn1 ZINC000281315837 385655997 /nfs/dbraw/zinc/65/59/97/385655997.db2.gz QVMLKXABVKMFSL-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CSCCC[N@@H+](C)Cc1csnn1 ZINC000281315837 385656005 /nfs/dbraw/zinc/65/60/05/385656005.db2.gz QVMLKXABVKMFSL-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CC(C)c1cc(N2CC(O)C2)nc(C(C)C)[nH+]1 ZINC000269998217 385656470 /nfs/dbraw/zinc/65/64/70/385656470.db2.gz XDFFCJSRHFVJGG-UHFFFAOYSA-N 1 2 235.331 1.904 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCOCC(C)C ZINC000337451564 385666271 /nfs/dbraw/zinc/66/62/71/385666271.db2.gz FSQOOJGBIYSUOB-JTQLQIEISA-N 1 2 217.309 1.152 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCOCC(C)C ZINC000337451564 385666274 /nfs/dbraw/zinc/66/62/74/385666274.db2.gz FSQOOJGBIYSUOB-JTQLQIEISA-N 1 2 217.309 1.152 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1cnn(C)n1 ZINC000290177876 385675943 /nfs/dbraw/zinc/67/59/43/385675943.db2.gz RPFPNHNGEXHPEM-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO C[C@@]1(O)CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000270542590 385717617 /nfs/dbraw/zinc/71/76/17/385717617.db2.gz CNEPEADSHGVFNX-CYBMUJFWSA-N 1 2 248.330 1.260 20 0 BDADLO C[C@@]1(O)CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000270542590 385717619 /nfs/dbraw/zinc/71/76/19/385717619.db2.gz CNEPEADSHGVFNX-CYBMUJFWSA-N 1 2 248.330 1.260 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000645223248 385687885 /nfs/dbraw/zinc/68/78/85/385687885.db2.gz YGHAOQNOJGDGDS-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000645223248 385687889 /nfs/dbraw/zinc/68/78/89/385687889.db2.gz YGHAOQNOJGDGDS-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO c1nc(NC[C@@H]2CCOC2)cc(NCC2CC2)[nH+]1 ZINC000270268708 385691891 /nfs/dbraw/zinc/69/18/91/385691891.db2.gz GDZUFVDHNWJZSE-NSHDSACASA-N 1 2 248.330 1.747 20 0 BDADLO c1nc(NCC2CC2)cc(NC[C@@H]2CCOC2)[nH+]1 ZINC000270268708 385691898 /nfs/dbraw/zinc/69/18/98/385691898.db2.gz GDZUFVDHNWJZSE-NSHDSACASA-N 1 2 248.330 1.747 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000270320040 385695835 /nfs/dbraw/zinc/69/58/35/385695835.db2.gz XSBDPUGQOOQHAE-ZDUSSCGKSA-N 1 2 249.289 1.546 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000270323635 385696196 /nfs/dbraw/zinc/69/61/96/385696196.db2.gz BSZGDIIJOJONKH-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000270323635 385696200 /nfs/dbraw/zinc/69/62/00/385696200.db2.gz BSZGDIIJOJONKH-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)C(C)C)no1 ZINC000336687779 385704913 /nfs/dbraw/zinc/70/49/13/385704913.db2.gz UMZQHWBDNHVBAR-VIFPVBQESA-N 1 2 227.308 1.220 20 0 BDADLO C[C@H](O)CN(CCCn1cc[nH+]c1)CC(F)F ZINC000451838692 385714153 /nfs/dbraw/zinc/71/41/53/385714153.db2.gz QYHRLFNZYHPSFL-JTQLQIEISA-N 1 2 247.289 1.221 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000408375823 385742444 /nfs/dbraw/zinc/74/24/44/385742444.db2.gz PYQNNVJAJRLWGY-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000408375823 385742447 /nfs/dbraw/zinc/74/24/47/385742447.db2.gz PYQNNVJAJRLWGY-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@H](C)c1csc(C)n1 ZINC000230639882 385745040 /nfs/dbraw/zinc/74/50/40/385745040.db2.gz YPOQOONDNQSTNN-MRVPVSSYSA-N 1 2 241.360 1.580 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C(F)F)CC1 ZINC000337690341 385751912 /nfs/dbraw/zinc/75/19/12/385751912.db2.gz NUBCHGGFGWAONL-UHFFFAOYSA-N 1 2 244.245 1.017 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)o1 ZINC000525838547 385752519 /nfs/dbraw/zinc/75/25/19/385752519.db2.gz YHHQDQWHCFQVLL-LLVKDONJSA-N 1 2 238.331 1.830 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)o1 ZINC000525838547 385752522 /nfs/dbraw/zinc/75/25/22/385752522.db2.gz YHHQDQWHCFQVLL-LLVKDONJSA-N 1 2 238.331 1.830 20 0 BDADLO CCSCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000282367805 385756347 /nfs/dbraw/zinc/75/63/47/385756347.db2.gz XXYVVONWCXUHEU-UHFFFAOYSA-N 1 2 227.333 1.591 20 0 BDADLO COC(=O)c1cc(C(C)(C)[NH2+]CCF)no1 ZINC000309632931 385756857 /nfs/dbraw/zinc/75/68/57/385756857.db2.gz IJDYYKBMFKRVMY-UHFFFAOYSA-N 1 2 230.239 1.255 20 0 BDADLO O=C(C1CC(=O)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270927891 385759703 /nfs/dbraw/zinc/75/97/03/385759703.db2.gz KFLSOCDYAAKASC-UHFFFAOYSA-N 1 2 247.298 1.095 20 0 BDADLO C[C@@H](C1CCC1)N(C)c1[nH+]cnc2c1cnn2C ZINC000337842355 385786936 /nfs/dbraw/zinc/78/69/36/385786936.db2.gz BVLSBGNWCURGLJ-VIFPVBQESA-N 1 2 245.330 1.988 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1ncc(Cl)cn1 ZINC000270966232 385763858 /nfs/dbraw/zinc/76/38/58/385763858.db2.gz SAMPVQUJSUFQKI-UHFFFAOYSA-N 1 2 237.694 1.500 20 0 BDADLO CC[N@H+](CCc1csc(C)n1)CC(=O)OC ZINC000270961122 385764359 /nfs/dbraw/zinc/76/43/59/385764359.db2.gz AVUWEJJJUHWIEI-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO CC[N@@H+](CCc1csc(C)n1)CC(=O)OC ZINC000270961122 385764363 /nfs/dbraw/zinc/76/43/63/385764363.db2.gz AVUWEJJJUHWIEI-UHFFFAOYSA-N 1 2 242.344 1.489 20 0 BDADLO FCCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000309646813 385765795 /nfs/dbraw/zinc/76/57/95/385765795.db2.gz QTIZUHWCILMOHO-SNVBAGLBSA-N 1 2 220.251 1.453 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnnn1C ZINC000270995907 385766565 /nfs/dbraw/zinc/76/65/65/385766565.db2.gz JPVIROBOIMOCTO-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnnn1C ZINC000270995907 385766567 /nfs/dbraw/zinc/76/65/67/385766567.db2.gz JPVIROBOIMOCTO-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)CO ZINC000271000234 385769036 /nfs/dbraw/zinc/76/90/36/385769036.db2.gz DKZUQEJXBNPIHH-UHFFFAOYSA-N 1 2 223.276 1.282 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000271110689 385787718 /nfs/dbraw/zinc/78/77/18/385787718.db2.gz GFSYYZOFNZDINY-VIFPVBQESA-N 1 2 245.286 1.996 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)o1 ZINC000282679680 385777752 /nfs/dbraw/zinc/77/77/52/385777752.db2.gz IHEKDEKYYQDUJM-UHFFFAOYSA-N 1 2 236.315 1.552 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)NCC2(C)C)o1 ZINC000282679680 385777758 /nfs/dbraw/zinc/77/77/58/385777758.db2.gz IHEKDEKYYQDUJM-UHFFFAOYSA-N 1 2 236.315 1.552 20 0 BDADLO CCCCC[N@H+](CCO)Cc1cn[nH]c1C ZINC000271046516 385778042 /nfs/dbraw/zinc/77/80/42/385778042.db2.gz RBJWJOAEHBNLSC-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1cn[nH]c1C ZINC000271046516 385778048 /nfs/dbraw/zinc/77/80/48/385778048.db2.gz RBJWJOAEHBNLSC-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO C[C@@H]1C[C@H]1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000488432107 385781618 /nfs/dbraw/zinc/78/16/18/385781618.db2.gz GPRLOIKDQZEUBQ-NEPJUHHUSA-N 1 2 247.342 1.408 20 0 BDADLO Cc1nocc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000293989713 385782732 /nfs/dbraw/zinc/78/27/32/385782732.db2.gz RZDBEJQSEINWPS-UHFFFAOYSA-N 1 2 244.294 1.686 20 0 BDADLO CSCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000282729999 385783102 /nfs/dbraw/zinc/78/31/02/385783102.db2.gz CITDYBXBMUECGM-VIFPVBQESA-N 1 2 227.333 1.586 20 0 BDADLO C[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCOC1 ZINC000270578488 385720575 /nfs/dbraw/zinc/72/05/75/385720575.db2.gz IDYHYMKRBLTYSV-SNVBAGLBSA-N 1 2 222.288 1.773 20 0 BDADLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCOC1 ZINC000270578488 385720578 /nfs/dbraw/zinc/72/05/78/385720578.db2.gz IDYHYMKRBLTYSV-SNVBAGLBSA-N 1 2 222.288 1.773 20 0 BDADLO Cc1cc(N[C@@H](CO)CC2CCC2)nc[nH+]1 ZINC000309699961 385798240 /nfs/dbraw/zinc/79/82/40/385798240.db2.gz MHYDTCJACWMPGX-LLVKDONJSA-N 1 2 221.304 1.748 20 0 BDADLO Cn1nncc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000271186837 385799166 /nfs/dbraw/zinc/79/91/66/385799166.db2.gz KCXJYUXWBTWQLB-UHFFFAOYSA-N 1 2 246.236 1.510 20 0 BDADLO Cn1nncc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000271186837 385799168 /nfs/dbraw/zinc/79/91/68/385799168.db2.gz KCXJYUXWBTWQLB-UHFFFAOYSA-N 1 2 246.236 1.510 20 0 BDADLO Cc1cc(NCCCc2nccs2)nc[nH+]1 ZINC000336714238 385808732 /nfs/dbraw/zinc/80/87/32/385808732.db2.gz UWTDMDYZYFCFME-UHFFFAOYSA-N 1 2 234.328 1.708 20 0 BDADLO COC(=O)[C@H](C)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602634665 385811023 /nfs/dbraw/zinc/81/10/23/385811023.db2.gz NLRZVBIPXSZQGB-WPRPVWTQSA-N 1 2 237.303 1.022 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1CCO ZINC000283153566 385813265 /nfs/dbraw/zinc/81/32/65/385813265.db2.gz ONHJBSLEUIHTLU-DJVCXFJCSA-N 1 2 249.314 1.090 20 0 BDADLO CCC[C@@H](OC)C(=O)NCCCn1cc[nH+]c1 ZINC000294157759 385814843 /nfs/dbraw/zinc/81/48/43/385814843.db2.gz AWOQKCVUGITXNC-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO COc1cccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000186947396 385816995 /nfs/dbraw/zinc/81/69/95/385816995.db2.gz IVNOKSSDYVMHIW-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000186947396 385816997 /nfs/dbraw/zinc/81/69/97/385816997.db2.gz IVNOKSSDYVMHIW-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO CCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000340173288 385819493 /nfs/dbraw/zinc/81/94/93/385819493.db2.gz QRPQINWHYFEGRS-JTQLQIEISA-N 1 2 230.377 1.292 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@]12C[C@@H]1CCC2 ZINC000643369233 385822852 /nfs/dbraw/zinc/82/28/52/385822852.db2.gz QSWXXGSHFJKERA-FZMZJTMJSA-N 1 2 245.326 1.800 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283619918 385823792 /nfs/dbraw/zinc/82/37/92/385823792.db2.gz AQFRZKPTHYXICF-FNSAGKMKSA-N 1 2 249.314 1.497 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1C/C=C/c1ccccc1 ZINC000187013323 385825591 /nfs/dbraw/zinc/82/55/91/385825591.db2.gz GGEBWNGNETYDGE-PPGNKHEKSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000187013323 385825597 /nfs/dbraw/zinc/82/55/97/385825597.db2.gz GGEBWNGNETYDGE-PPGNKHEKSA-N 1 2 244.338 1.862 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CC1(F)F ZINC000294374723 385842320 /nfs/dbraw/zinc/84/23/20/385842320.db2.gz CKSDBQJQKVBIIM-SSDOTTSWSA-N 1 2 241.241 1.741 20 0 BDADLO Cc1cc(C2CC[NH+]([C@@H]3CCOC3=O)CC2)[nH]n1 ZINC000271671603 385842873 /nfs/dbraw/zinc/84/28/73/385842873.db2.gz XGPVWZSXQAGQTO-GFCCVEGCSA-N 1 2 249.314 1.213 20 0 BDADLO Cc1cc(C2CC[NH+]([C@@H]3CCOC3=O)CC2)n[nH]1 ZINC000271671603 385842878 /nfs/dbraw/zinc/84/28/78/385842878.db2.gz XGPVWZSXQAGQTO-GFCCVEGCSA-N 1 2 249.314 1.213 20 0 BDADLO CC(C)[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000271678681 385845674 /nfs/dbraw/zinc/84/56/74/385845674.db2.gz HZELSBNYWPSWLN-JTQLQIEISA-N 1 2 238.335 1.606 20 0 BDADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271690698 385846465 /nfs/dbraw/zinc/84/64/65/385846465.db2.gz LPBWOTCNKSGXKT-SNVBAGLBSA-N 1 2 247.302 1.076 20 0 BDADLO c1nc(C2CC2)c(C[N@@H+]2CCO[C@H]3C[C@H]32)s1 ZINC000644837263 385847112 /nfs/dbraw/zinc/84/71/12/385847112.db2.gz JEXPBGCGWUPNFN-ZJUUUORDSA-N 1 2 236.340 1.994 20 0 BDADLO c1nc(C2CC2)c(C[N@H+]2CCO[C@H]3C[C@H]32)s1 ZINC000644837263 385847116 /nfs/dbraw/zinc/84/71/16/385847116.db2.gz JEXPBGCGWUPNFN-ZJUUUORDSA-N 1 2 236.340 1.994 20 0 BDADLO COC[C@@H]1CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000294456858 385853093 /nfs/dbraw/zinc/85/30/93/385853093.db2.gz UQRFRQRDCDFOFS-NSHDSACASA-N 1 2 245.282 1.195 20 0 BDADLO CCCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294468174 385854761 /nfs/dbraw/zinc/85/47/61/385854761.db2.gz QUMYWJFAJHFFKC-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CCCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294468174 385854764 /nfs/dbraw/zinc/85/47/64/385854764.db2.gz QUMYWJFAJHFFKC-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccc[nH]2)c[nH+]1 ZINC000271127227 385790701 /nfs/dbraw/zinc/79/07/01/385790701.db2.gz PLGMPLWXWYZOHQ-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000271173014 385796478 /nfs/dbraw/zinc/79/64/78/385796478.db2.gz JKPWLERDRVAJCA-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(F)c(C[N@H+]2CCO[C@H](CO)C2)c1 ZINC000271173014 385796483 /nfs/dbraw/zinc/79/64/83/385796483.db2.gz JKPWLERDRVAJCA-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@@H](CO)C2)c1 ZINC000271173012 385796780 /nfs/dbraw/zinc/79/67/80/385796780.db2.gz JKPWLERDRVAJCA-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(F)c(C[N@H+]2CCO[C@@H](CO)C2)c1 ZINC000271173012 385796785 /nfs/dbraw/zinc/79/67/85/385796785.db2.gz JKPWLERDRVAJCA-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncnn2CC(F)F)[C@@H]1C ZINC000488450073 385797398 /nfs/dbraw/zinc/79/73/98/385797398.db2.gz QWFWQAIEOAZMCT-RKDXNWHRSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncnn2CC(F)F)[C@@H]1C ZINC000488450073 385797401 /nfs/dbraw/zinc/79/74/01/385797401.db2.gz QWFWQAIEOAZMCT-RKDXNWHRSA-N 1 2 244.289 1.774 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccncc1C ZINC000294707817 385886100 /nfs/dbraw/zinc/88/61/00/385886100.db2.gz FJEVKCNIVYSTLH-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccncc1C ZINC000294707817 385886105 /nfs/dbraw/zinc/88/61/05/385886105.db2.gz FJEVKCNIVYSTLH-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccncc3)[C@H]12 ZINC000366638233 385886319 /nfs/dbraw/zinc/88/63/19/385886319.db2.gz DPOKVQHGJNZIAB-RYUDHWBXSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccncc3)[C@H]12 ZINC000366638233 385886325 /nfs/dbraw/zinc/88/63/25/385886325.db2.gz DPOKVQHGJNZIAB-RYUDHWBXSA-N 1 2 232.283 1.219 20 0 BDADLO Cn1c[nH+]cc1CS[C@@H]1CCCOC1 ZINC000272422823 385901784 /nfs/dbraw/zinc/90/17/84/385901784.db2.gz IBWLVOBXTQGZAJ-SNVBAGLBSA-N 1 2 212.318 1.832 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CCOC1 ZINC000408392039 385902336 /nfs/dbraw/zinc/90/23/36/385902336.db2.gz DIHLYQVNPUGYMK-VIFPVBQESA-N 1 2 238.335 1.323 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CCOC1 ZINC000408392039 385902340 /nfs/dbraw/zinc/90/23/40/385902340.db2.gz DIHLYQVNPUGYMK-VIFPVBQESA-N 1 2 238.335 1.323 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294867060 385905452 /nfs/dbraw/zinc/90/54/52/385905452.db2.gz PYUIFNDFBXPVHM-NSHDSACASA-N 1 2 228.242 1.317 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294867060 385905456 /nfs/dbraw/zinc/90/54/56/385905456.db2.gz PYUIFNDFBXPVHM-NSHDSACASA-N 1 2 228.242 1.317 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000294912567 385913308 /nfs/dbraw/zinc/91/33/08/385913308.db2.gz IITVPSQNXWITFE-LBPRGKRZSA-N 1 2 235.331 1.665 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000294912567 385913314 /nfs/dbraw/zinc/91/33/14/385913314.db2.gz IITVPSQNXWITFE-LBPRGKRZSA-N 1 2 235.331 1.665 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1ccc(O)cc1 ZINC000647858446 385914403 /nfs/dbraw/zinc/91/44/03/385914403.db2.gz SWJPXNJUAKQFBP-UHFFFAOYSA-N 1 2 243.310 1.876 20 0 BDADLO O=C(C[N@@H+]1CCCC[C@H]1c1cc[nH]n1)NC1CC1 ZINC000285333223 385915654 /nfs/dbraw/zinc/91/56/54/385915654.db2.gz JVZWNFPJBKTPAV-LBPRGKRZSA-N 1 2 248.330 1.215 20 0 BDADLO O=C(C[N@H+]1CCCC[C@H]1c1cc[nH]n1)NC1CC1 ZINC000285333223 385915655 /nfs/dbraw/zinc/91/56/55/385915655.db2.gz JVZWNFPJBKTPAV-LBPRGKRZSA-N 1 2 248.330 1.215 20 0 BDADLO CCCCNC(=O)NCc1[nH+]ccn1C ZINC000122429809 385918241 /nfs/dbraw/zinc/91/82/41/385918241.db2.gz XVLRFLFVOHPQBM-UHFFFAOYSA-N 1 2 210.281 1.019 20 0 BDADLO Cn1cc[nH+]c1CNc1cc2n(n1)CCCC2 ZINC000285354723 385918458 /nfs/dbraw/zinc/91/84/58/385918458.db2.gz AZWZCABIWUCILU-UHFFFAOYSA-N 1 2 231.303 1.565 20 0 BDADLO Nc1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)c[nH+]1 ZINC000335033321 385920871 /nfs/dbraw/zinc/92/08/71/385920871.db2.gz GFDVVOKBCYPYNQ-UFBFGSQYSA-N 1 2 217.272 1.623 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cn(C)nn2)[C@@H]1C ZINC000335033958 385922877 /nfs/dbraw/zinc/92/28/77/385922877.db2.gz SQWLELMYSUAJJH-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cn(C)nn2)[C@@H]1C ZINC000335033958 385922881 /nfs/dbraw/zinc/92/28/81/385922881.db2.gz SQWLELMYSUAJJH-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342101197 385926348 /nfs/dbraw/zinc/92/63/48/385926348.db2.gz QZIODGIBMFHXFU-SDDRHHMPSA-N 1 2 240.347 1.107 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342101197 385926350 /nfs/dbraw/zinc/92/63/50/385926350.db2.gz QZIODGIBMFHXFU-SDDRHHMPSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccncc1F ZINC000337953325 385860807 /nfs/dbraw/zinc/86/08/07/385860807.db2.gz JRWGVLCPHYIEJK-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000647808469 385864786 /nfs/dbraw/zinc/86/47/86/385864786.db2.gz NSRMORIXGQNJBU-HLTSFMKQSA-N 1 2 223.276 1.012 20 0 BDADLO COc1nccnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000294580210 385870799 /nfs/dbraw/zinc/87/07/99/385870799.db2.gz QCGUHCWUOPQVJS-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000294580210 385870802 /nfs/dbraw/zinc/87/08/02/385870802.db2.gz QCGUHCWUOPQVJS-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO C[C@H]1OCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000284503219 385873541 /nfs/dbraw/zinc/87/35/41/385873541.db2.gz VCITZGDXHLLNEK-FCVPOFOPSA-N 1 2 235.287 1.059 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)nc1 ZINC000272099917 385875325 /nfs/dbraw/zinc/87/53/25/385875325.db2.gz ZLGYDLUHILCMDX-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)nc1 ZINC000272099917 385875327 /nfs/dbraw/zinc/87/53/27/385875327.db2.gz ZLGYDLUHILCMDX-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCn3cncc3C2)O1 ZINC000647940569 385876685 /nfs/dbraw/zinc/87/66/85/385876685.db2.gz HVTGOFUPYWDBHY-PWSUYJOCSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCn3cncc3C2)O1 ZINC000647940569 385876688 /nfs/dbraw/zinc/87/66/88/385876688.db2.gz HVTGOFUPYWDBHY-PWSUYJOCSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@@H]1CC[C@@H](CN2CCn3c[nH+]cc3C2)O1 ZINC000647940569 385876694 /nfs/dbraw/zinc/87/66/94/385876694.db2.gz HVTGOFUPYWDBHY-PWSUYJOCSA-N 1 2 221.304 1.266 20 0 BDADLO CC(C)c1nc(CN2CCn3c[nH+]cc3C2)no1 ZINC000647940589 385877084 /nfs/dbraw/zinc/87/70/84/385877084.db2.gz INBYPGPPFALNSB-UHFFFAOYSA-N 1 2 247.302 1.405 20 0 BDADLO Cn1nc(NCc2[nH]cc[nH+]2)cc1C1CC1 ZINC000289989984 385977539 /nfs/dbraw/zinc/97/75/39/385977539.db2.gz XMBMHYUTIBEJDJ-UHFFFAOYSA-N 1 2 217.276 1.633 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCCCO)s1 ZINC000338354922 385977940 /nfs/dbraw/zinc/97/79/40/385977940.db2.gz ZTBMKDGBTZAMJQ-QMMMGPOBSA-N 1 2 229.349 1.612 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCCCO)s1 ZINC000338354922 385977947 /nfs/dbraw/zinc/97/79/47/385977947.db2.gz ZTBMKDGBTZAMJQ-QMMMGPOBSA-N 1 2 229.349 1.612 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@](C)(O)C1CC1 ZINC000285965337 385984659 /nfs/dbraw/zinc/98/46/59/385984659.db2.gz ATTKWLJAFQEMEB-GFCCVEGCSA-N 1 2 220.272 1.490 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)OC1CCCC1 ZINC000295200298 385990300 /nfs/dbraw/zinc/99/03/00/385990300.db2.gz SJUSOYJNCVGBMY-UHFFFAOYSA-N 1 2 223.276 1.589 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1CCOCC1 ZINC000647862721 385931367 /nfs/dbraw/zinc/93/13/67/385931367.db2.gz NFJLYAYVWVNQPF-UHFFFAOYSA-N 1 2 221.304 1.354 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084196 385936307 /nfs/dbraw/zinc/93/63/07/385936307.db2.gz ASUKYXPWODLORR-KKOKHZNYSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084196 385936312 /nfs/dbraw/zinc/93/63/12/385936312.db2.gz ASUKYXPWODLORR-KKOKHZNYSA-N 1 2 240.347 1.153 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+]2CCn2cccn2)n1 ZINC000285534868 385941270 /nfs/dbraw/zinc/94/12/70/385941270.db2.gz FQYJNCDQVQTZRD-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+]2CCn2cccn2)n1 ZINC000285534868 385941272 /nfs/dbraw/zinc/94/12/72/385941272.db2.gz FQYJNCDQVQTZRD-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000159433072 385946503 /nfs/dbraw/zinc/94/65/03/385946503.db2.gz OZEGHCSUXDJTKJ-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000159433072 385946510 /nfs/dbraw/zinc/94/65/10/385946510.db2.gz OZEGHCSUXDJTKJ-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000425398331 385947689 /nfs/dbraw/zinc/94/76/89/385947689.db2.gz CAOPATBBUDWYBT-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ccco1)c1nncn1C ZINC000285610808 385951169 /nfs/dbraw/zinc/95/11/69/385951169.db2.gz VVUAVBAFWWACMD-LLVKDONJSA-N 1 2 234.303 1.895 20 0 BDADLO COc1ccc(C[N@H+](C(C)C)C2COC2)nn1 ZINC000295058565 385954359 /nfs/dbraw/zinc/95/43/59/385954359.db2.gz BBXHTXLLDXPXND-UHFFFAOYSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@@H+](C(C)C)C2COC2)nn1 ZINC000295058565 385954365 /nfs/dbraw/zinc/95/43/65/385954365.db2.gz BBXHTXLLDXPXND-UHFFFAOYSA-N 1 2 237.303 1.094 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000643250811 385954719 /nfs/dbraw/zinc/95/47/19/385954719.db2.gz CNAMHFSUASOBOX-LLVKDONJSA-N 1 2 243.738 1.276 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000643250811 385954725 /nfs/dbraw/zinc/95/47/25/385954725.db2.gz CNAMHFSUASOBOX-LLVKDONJSA-N 1 2 243.738 1.276 20 0 BDADLO CCSCC[NH+]1CC(O)(c2ccccc2)C1 ZINC000285722667 385956383 /nfs/dbraw/zinc/95/63/83/385956383.db2.gz PLVXDSZZJZFUBK-UHFFFAOYSA-N 1 2 237.368 1.943 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)s1 ZINC000338311148 385962376 /nfs/dbraw/zinc/96/23/76/385962376.db2.gz WDFALDKFRDJHLC-OYNCUSHFSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](O)[C@@H](C)C2)s1 ZINC000338311148 385962381 /nfs/dbraw/zinc/96/23/81/385962381.db2.gz WDFALDKFRDJHLC-OYNCUSHFSA-N 1 2 241.360 1.610 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273045454 385963809 /nfs/dbraw/zinc/96/38/09/385963809.db2.gz XQIULXMEHHSMAA-JTQLQIEISA-N 1 2 235.283 1.443 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273045454 385963815 /nfs/dbraw/zinc/96/38/15/385963815.db2.gz XQIULXMEHHSMAA-JTQLQIEISA-N 1 2 235.283 1.443 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000342330846 385967882 /nfs/dbraw/zinc/96/78/82/385967882.db2.gz BDIALVXBVSQNPV-VXGBXAGGSA-N 1 2 249.358 1.950 20 0 BDADLO C[C@H]([NH2+]Cc1ccco1)c1ncnn1C ZINC000336747349 385971790 /nfs/dbraw/zinc/97/17/90/385971790.db2.gz CLEMNSDTOTUCMC-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425419474 385998476 /nfs/dbraw/zinc/99/84/76/385998476.db2.gz NLTGRIXQPHNOCE-ZETCQYMHSA-N 1 2 247.245 1.476 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425419474 385998482 /nfs/dbraw/zinc/99/84/82/385998482.db2.gz NLTGRIXQPHNOCE-ZETCQYMHSA-N 1 2 247.245 1.476 20 0 BDADLO CCc1cc(N)nc(SCc2cn[nH]n2)[nH+]1 ZINC000295260343 386002616 /nfs/dbraw/zinc/00/26/16/386002616.db2.gz GXDIQEYYUDCYCD-UHFFFAOYSA-N 1 2 236.304 1.032 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccn1 ZINC000331809357 386011334 /nfs/dbraw/zinc/01/13/34/386011334.db2.gz KXTSRHCVIVCGQW-ZYHUDNBSSA-N 1 2 243.314 1.859 20 0 BDADLO CC[C@@H](O)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000643262929 386011975 /nfs/dbraw/zinc/01/19/75/386011975.db2.gz CRWIKFHEHYHTGS-SNVBAGLBSA-N 1 2 237.303 1.013 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@@H]1C ZINC000454958183 386012315 /nfs/dbraw/zinc/01/23/15/386012315.db2.gz LKVBNPTZUJELFC-VHSXEESVSA-N 1 2 236.319 1.501 20 0 BDADLO COC[C@H]([NH2+]Cc1c(C)cnn1C)c1ccco1 ZINC000286311848 386022654 /nfs/dbraw/zinc/02/26/54/386022654.db2.gz CWZPXZUEQRCGFI-NSHDSACASA-N 1 2 249.314 1.799 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)N1CCCC1 ZINC000286361615 386029454 /nfs/dbraw/zinc/02/94/54/386029454.db2.gz YIIJWSUPOWHWGI-GFCCVEGCSA-N 1 2 248.330 1.169 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H]1c1cc[nH]n1)N1CCCC1 ZINC000286361615 386029462 /nfs/dbraw/zinc/02/94/62/386029462.db2.gz YIIJWSUPOWHWGI-GFCCVEGCSA-N 1 2 248.330 1.169 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCCCF ZINC000643279135 386030952 /nfs/dbraw/zinc/03/09/52/386030952.db2.gz DISXAUNIKYAVJB-UHFFFAOYSA-N 1 2 227.283 1.529 20 0 BDADLO Cc1cnc(C)c(N(C)CCCn2cc[nH+]c2)n1 ZINC000273853902 386043847 /nfs/dbraw/zinc/04/38/47/386043847.db2.gz KNQYQCAXOIEBHF-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO CC[C@@H](NC(=O)Nc1cc[nH+]cc1C)[C@@H](C)O ZINC000455030566 386050947 /nfs/dbraw/zinc/05/09/47/386050947.db2.gz DNQFSDKXSLGJRP-NXEZZACHSA-N 1 2 237.303 1.093 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC12CCC(CC1)C2 ZINC000366117326 386100605 /nfs/dbraw/zinc/10/06/05/386100605.db2.gz XLTUOBDIJOFDIO-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO CO[C@H](C[N@@H+]1CCC(F)(F)C1)C1CC1 ZINC000425458659 386101591 /nfs/dbraw/zinc/10/15/91/386101591.db2.gz MVLZUOMLOAAYCQ-SECBINFHSA-N 1 2 205.248 1.752 20 0 BDADLO CO[C@H](C[N@H+]1CCC(F)(F)C1)C1CC1 ZINC000425458659 386101597 /nfs/dbraw/zinc/10/15/97/386101597.db2.gz MVLZUOMLOAAYCQ-SECBINFHSA-N 1 2 205.248 1.752 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](C)[C@H]2CO)cc[nH+]1 ZINC000189866639 386107923 /nfs/dbraw/zinc/10/79/23/386107923.db2.gz WVKLOYHVDSUTDG-GHMZBOCLSA-N 1 2 235.331 1.807 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1cc(F)ncc1F ZINC000295940609 386112277 /nfs/dbraw/zinc/11/22/77/386112277.db2.gz GICLXSNWYWEFJD-ZETCQYMHSA-N 1 2 216.231 1.172 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1cc(F)ncc1F ZINC000295940609 386112281 /nfs/dbraw/zinc/11/22/81/386112281.db2.gz GICLXSNWYWEFJD-ZETCQYMHSA-N 1 2 216.231 1.172 20 0 BDADLO CCc1ncc(CNc2cccc(CO)[nH+]2)cn1 ZINC000414315577 386116458 /nfs/dbraw/zinc/11/64/58/386116458.db2.gz MSJUYAKWCOTRFM-UHFFFAOYSA-N 1 2 244.298 1.538 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC1(C)C ZINC000287411201 386119561 /nfs/dbraw/zinc/11/95/61/386119561.db2.gz ZJVGYYIFZKIVGY-JTQLQIEISA-N 1 2 221.304 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC1(C)C ZINC000287411201 386119565 /nfs/dbraw/zinc/11/95/65/386119565.db2.gz ZJVGYYIFZKIVGY-JTQLQIEISA-N 1 2 221.304 1.565 20 0 BDADLO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1nnc[nH]1 ZINC000286634744 386060636 /nfs/dbraw/zinc/06/06/36/386060636.db2.gz ZNENJFDEOVIEOT-GFCCVEGCSA-N 1 2 246.314 1.360 20 0 BDADLO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1nnc[nH]1 ZINC000286634744 386060642 /nfs/dbraw/zinc/06/06/42/386060642.db2.gz ZNENJFDEOVIEOT-GFCCVEGCSA-N 1 2 246.314 1.360 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)C[C@@H](C)OC ZINC000425444073 386076061 /nfs/dbraw/zinc/07/60/61/386076061.db2.gz LEBHCGWNHBIIRK-SSDOTTSWSA-N 1 2 249.261 1.864 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)C[C@@H](C)OC ZINC000425444073 386076066 /nfs/dbraw/zinc/07/60/66/386076066.db2.gz LEBHCGWNHBIIRK-SSDOTTSWSA-N 1 2 249.261 1.864 20 0 BDADLO Cn1ncc2c1nccc2NCCn1cc[nH+]c1 ZINC000286945309 386085822 /nfs/dbraw/zinc/08/58/22/386085822.db2.gz MGRFWWSNNQDIHH-UHFFFAOYSA-N 1 2 242.286 1.277 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(C(=O)OC)CC1 ZINC000274301424 386088527 /nfs/dbraw/zinc/08/85/27/386088527.db2.gz HNVRMLMJYNPPMU-UHFFFAOYSA-N 1 2 248.282 1.536 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC1(C)C ZINC000287170498 386097903 /nfs/dbraw/zinc/09/79/03/386097903.db2.gz ODEBLTQVVNZCIS-LLVKDONJSA-N 1 2 235.331 1.658 20 0 BDADLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000190079212 386147103 /nfs/dbraw/zinc/14/71/03/386147103.db2.gz ZXKVWGIVXOGNBF-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000190079212 386147109 /nfs/dbraw/zinc/14/71/09/386147109.db2.gz ZXKVWGIVXOGNBF-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO Cc1nc(N2CCC[C@H](O)CC2)c(C)c(C)[nH+]1 ZINC000338834926 386155486 /nfs/dbraw/zinc/15/54/86/386155486.db2.gz HWHOHRVKELVPQN-LBPRGKRZSA-N 1 2 235.331 1.753 20 0 BDADLO CC(C)c1nc(N2CC3(C2)CCOC3)cc[nH+]1 ZINC000338836658 386155983 /nfs/dbraw/zinc/15/59/83/386155983.db2.gz BXMMXARKGZKANJ-UHFFFAOYSA-N 1 2 233.315 1.827 20 0 BDADLO Cc1nc(N2CC3(C2)CCOC3)c(C)c(C)[nH+]1 ZINC000338837078 386156196 /nfs/dbraw/zinc/15/61/96/386156196.db2.gz DKZAOFMFUSWZEV-UHFFFAOYSA-N 1 2 233.315 1.629 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)nn1 ZINC000414367512 386164365 /nfs/dbraw/zinc/16/43/65/386164365.db2.gz FHHYIDABSCMQFQ-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)nn1 ZINC000414367512 386164369 /nfs/dbraw/zinc/16/43/69/386164369.db2.gz FHHYIDABSCMQFQ-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425484778 386167411 /nfs/dbraw/zinc/16/74/11/386167411.db2.gz WCHGTQGJACQGKX-RQJHMYQMSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000425484778 386167413 /nfs/dbraw/zinc/16/74/13/386167413.db2.gz WCHGTQGJACQGKX-RQJHMYQMSA-N 1 2 247.245 1.352 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)nc1 ZINC000338896943 386168287 /nfs/dbraw/zinc/16/82/87/386168287.db2.gz AXRSNDUHGYBCIF-ZDUSSCGKSA-N 1 2 247.342 1.484 20 0 BDADLO CCc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)nc1 ZINC000338896943 386168295 /nfs/dbraw/zinc/16/82/95/386168295.db2.gz AXRSNDUHGYBCIF-ZDUSSCGKSA-N 1 2 247.342 1.484 20 0 BDADLO C[C@H](CF)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000288129840 386169901 /nfs/dbraw/zinc/16/99/01/386169901.db2.gz ILIUYLLWWXIXNP-SECBINFHSA-N 1 2 248.261 1.355 20 0 BDADLO C[C@@H](CF)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000288129844 386170593 /nfs/dbraw/zinc/17/05/93/386170593.db2.gz ILIUYLLWWXIXNP-VIFPVBQESA-N 1 2 248.261 1.355 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343178288 386171799 /nfs/dbraw/zinc/17/17/99/386171799.db2.gz PWNGVAXJXJTORO-LBPRGKRZSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](Nc1ccc([NH+](C)C)cc1C)C(N)=O ZINC000263814528 386181079 /nfs/dbraw/zinc/18/10/79/386181079.db2.gz VOXHXQPPKYTZDS-NSHDSACASA-N 1 2 235.331 1.737 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)no1 ZINC000366933718 386184903 /nfs/dbraw/zinc/18/49/03/386184903.db2.gz MBKNQKQPXZLEHJ-WDEREUQCSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)no1 ZINC000366933718 386184907 /nfs/dbraw/zinc/18/49/07/386184907.db2.gz MBKNQKQPXZLEHJ-WDEREUQCSA-N 1 2 237.303 1.521 20 0 BDADLO CCc1ncc(CNc2cc[nH+]cc2F)cn1 ZINC000414328421 386124818 /nfs/dbraw/zinc/12/48/18/386124818.db2.gz ZDWCDZIIMQNJHY-UHFFFAOYSA-N 1 2 232.262 1.607 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000274598388 386127591 /nfs/dbraw/zinc/12/75/91/386127591.db2.gz LTWKPTMLQBBSSF-MNOVXSKESA-N 1 2 235.331 1.671 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H](C)C[C@H]2C)nc(N)[nH+]1 ZINC000310130945 386131097 /nfs/dbraw/zinc/13/10/97/386131097.db2.gz YTOYXPNNNJJQCS-QXFUBDJGSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H](C)C[C@H]2C)[nH+]1 ZINC000310130945 386131099 /nfs/dbraw/zinc/13/10/99/386131099.db2.gz YTOYXPNNNJJQCS-QXFUBDJGSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1cncc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000189988008 386141153 /nfs/dbraw/zinc/14/11/53/386141153.db2.gz XXNYHOOGZKECGT-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cncc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000189988008 386141159 /nfs/dbraw/zinc/14/11/59/386141159.db2.gz XXNYHOOGZKECGT-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO CCc1nnc(C[NH+]2C[C@H](C)S[C@@H](C)C2)[nH]1 ZINC000335143026 386141674 /nfs/dbraw/zinc/14/16/74/386141674.db2.gz BEZCZAZIEBFBEQ-IUCAKERBSA-N 1 2 240.376 1.693 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc(F)cc(Cl)c1 ZINC000275320111 386202254 /nfs/dbraw/zinc/20/22/54/386202254.db2.gz STUBDNSFKBYQES-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc(F)cc(Cl)c1 ZINC000275320111 386202258 /nfs/dbraw/zinc/20/22/58/386202258.db2.gz STUBDNSFKBYQES-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCc1ccoc1 ZINC000264140954 386209231 /nfs/dbraw/zinc/20/92/31/386209231.db2.gz IVUXODIHLRFGBP-UHFFFAOYSA-N 1 2 234.259 1.013 20 0 BDADLO CN(C)c1ccc(CNC(=O)c2cocn2)c[nH+]1 ZINC000264155817 386211800 /nfs/dbraw/zinc/21/18/00/386211800.db2.gz AHMMTIGSBVCQJC-UHFFFAOYSA-N 1 2 246.270 1.066 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1C[C@H]1C1CC1 ZINC000456879569 386214431 /nfs/dbraw/zinc/21/44/31/386214431.db2.gz LSTFBCMIPLJQRW-RYUDHWBXSA-N 1 2 233.315 1.436 20 0 BDADLO c1nc(N2CCCC2)cc(N[C@@H]2CCCOC2)[nH+]1 ZINC000275511316 386216183 /nfs/dbraw/zinc/21/61/83/386216183.db2.gz BPRZRYGYLHMYGE-LLVKDONJSA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(N[C@@H]2CCCOC2)cc(N2CCCC2)[nH+]1 ZINC000275511316 386216187 /nfs/dbraw/zinc/21/61/87/386216187.db2.gz BPRZRYGYLHMYGE-LLVKDONJSA-N 1 2 248.330 1.668 20 0 BDADLO Cc1nc(C(=O)NCc2cc(C)[nH+]c(C)c2)co1 ZINC000643319025 386220259 /nfs/dbraw/zinc/22/02/59/386220259.db2.gz TXHHHSGGVLFNSY-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@H]1CCOC1 ZINC000225816060 386220466 /nfs/dbraw/zinc/22/04/66/386220466.db2.gz WWWTVENFCBWBHW-RQJHMYQMSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)[C@H]1CCOC1 ZINC000225816060 386220472 /nfs/dbraw/zinc/22/04/72/386220472.db2.gz WWWTVENFCBWBHW-RQJHMYQMSA-N 1 2 242.710 1.549 20 0 BDADLO C/C(=C\C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000264280062 386222435 /nfs/dbraw/zinc/22/24/35/386222435.db2.gz IBVSAAKGSFWNCP-VQHVLOKHSA-N 1 2 219.288 1.393 20 0 BDADLO Cc1cc(C)cc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000264322234 386226173 /nfs/dbraw/zinc/22/61/73/386226173.db2.gz QOWOXJONEXBRRI-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CC(C)(C)OC(=O)C1C[NH+](Cc2cncnc2)C1 ZINC000297287720 386238343 /nfs/dbraw/zinc/23/83/43/386238343.db2.gz AFVFKXJOPVTEDU-UHFFFAOYSA-N 1 2 249.314 1.250 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000416155665 386238415 /nfs/dbraw/zinc/23/84/15/386238415.db2.gz DZKGEOPBJKUEIT-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO Cc1nc(C[NH+]2CC(C)(C(N)=O)C2)oc1C ZINC000335395633 386240604 /nfs/dbraw/zinc/24/06/04/386240604.db2.gz CRHKUABKZINXKK-UHFFFAOYSA-N 1 2 223.276 1.649 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275850386 386246375 /nfs/dbraw/zinc/24/63/75/386246375.db2.gz HXPWPZLRSXOKTO-NSHDSACASA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275850386 386246379 /nfs/dbraw/zinc/24/63/79/386246379.db2.gz HXPWPZLRSXOKTO-NSHDSACASA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275850385 386247461 /nfs/dbraw/zinc/24/74/61/386247461.db2.gz HXPWPZLRSXOKTO-LLVKDONJSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275850385 386247466 /nfs/dbraw/zinc/24/74/66/386247466.db2.gz HXPWPZLRSXOKTO-LLVKDONJSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000288970007 386247970 /nfs/dbraw/zinc/24/79/70/386247970.db2.gz BOSNRYVLNKTINS-PHIMTYICSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000288970007 386247976 /nfs/dbraw/zinc/24/79/76/386247976.db2.gz BOSNRYVLNKTINS-PHIMTYICSA-N 1 2 223.320 1.338 20 0 BDADLO CN(Cc1ccoc1)Cc1[nH+]ccn1C ZINC000336645056 386250776 /nfs/dbraw/zinc/25/07/76/386250776.db2.gz HOAGXNCXCCRFRY-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO CCCc1noc(C[N@H+](C)C[C@H](C)OC)n1 ZINC000336645216 386251523 /nfs/dbraw/zinc/25/15/23/386251523.db2.gz CSVLOYUZYMSWBQ-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO CCCc1noc(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000336645216 386251529 /nfs/dbraw/zinc/25/15/29/386251529.db2.gz CSVLOYUZYMSWBQ-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000638358090 386253547 /nfs/dbraw/zinc/25/35/47/386253547.db2.gz YXOTUUCENGMZKS-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO COc1ccncc1C[N@@H+]1CCOCC12CC2 ZINC000347191123 386255029 /nfs/dbraw/zinc/25/50/29/386255029.db2.gz UBDLPPZSJRXKNK-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccncc1C[N@H+]1CCOCC12CC2 ZINC000347191123 386255036 /nfs/dbraw/zinc/25/50/36/386255036.db2.gz UBDLPPZSJRXKNK-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO Cc1[nH]c(C(=O)NCCCOC(C)C)c[nH+]1 ZINC000264641329 386258073 /nfs/dbraw/zinc/25/80/73/386258073.db2.gz FEHIUPPFSRNNHI-UHFFFAOYSA-N 1 2 225.292 1.263 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366217682 386194770 /nfs/dbraw/zinc/19/47/70/386194770.db2.gz NLEVZWWYHYNTSO-WEDXCCLWSA-N 1 2 219.288 1.354 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366217682 386194773 /nfs/dbraw/zinc/19/47/73/386194773.db2.gz NLEVZWWYHYNTSO-WEDXCCLWSA-N 1 2 219.288 1.354 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H]1CCCO1 ZINC000339000690 386198598 /nfs/dbraw/zinc/19/85/98/386198598.db2.gz CRHUFTTVSQZDMB-RSQPEXBXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H]1CCCO1 ZINC000339000690 386198601 /nfs/dbraw/zinc/19/86/01/386198601.db2.gz CRHUFTTVSQZDMB-RSQPEXBXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(F)cn1 ZINC000276174077 386281494 /nfs/dbraw/zinc/28/14/94/386281494.db2.gz FTZMXNSIHGILKD-XXFAHNHDSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(F)cn1 ZINC000276174077 386281498 /nfs/dbraw/zinc/28/14/98/386281498.db2.gz FTZMXNSIHGILKD-XXFAHNHDSA-N 1 2 244.335 1.420 20 0 BDADLO Cc1[nH]c(CN2CC3(CC3(F)F)C2)[nH+]c1C ZINC000628326749 386285658 /nfs/dbraw/zinc/28/56/58/386285658.db2.gz UFLKPWVCCQVCRE-UHFFFAOYSA-N 1 2 227.258 1.868 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C(=O)C(C)(C)C ZINC000265030560 386296830 /nfs/dbraw/zinc/29/68/30/386296830.db2.gz SVKWDDVFRZMBRJ-UHFFFAOYSA-N 1 2 249.314 1.701 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCOC[C@H]1C ZINC000164789078 386298209 /nfs/dbraw/zinc/29/82/09/386298209.db2.gz OIBHGZWOAXVWGS-SECBINFHSA-N 1 2 224.304 1.555 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCOC[C@H]1C ZINC000164789078 386298212 /nfs/dbraw/zinc/29/82/12/386298212.db2.gz OIBHGZWOAXVWGS-SECBINFHSA-N 1 2 224.304 1.555 20 0 BDADLO CSc1ccc(NCc2cc(C)nn2C)[nH+]c1 ZINC000416424515 386301226 /nfs/dbraw/zinc/30/12/26/386301226.db2.gz DNXKLAIEBBNQGC-UHFFFAOYSA-N 1 2 248.355 1.879 20 0 BDADLO Cc1csc(C[N@H+](CCO)C2CC2)n1 ZINC000081665670 386305274 /nfs/dbraw/zinc/30/52/74/386305274.db2.gz ZJKCBIOGUHAQLU-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1csc(C[N@@H+](CCO)C2CC2)n1 ZINC000081665670 386305279 /nfs/dbraw/zinc/30/52/79/386305279.db2.gz ZJKCBIOGUHAQLU-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000265161863 386313374 /nfs/dbraw/zinc/31/33/74/386313374.db2.gz RLQNPHHGYDXCAQ-AWEZNQCLSA-N 1 2 245.326 1.715 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000347271015 386314070 /nfs/dbraw/zinc/31/40/70/386314070.db2.gz BUHOBHSJAVFIPU-GXFFZTMASA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000347271015 386314074 /nfs/dbraw/zinc/31/40/74/386314074.db2.gz BUHOBHSJAVFIPU-GXFFZTMASA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000347271013 386314110 /nfs/dbraw/zinc/31/41/10/386314110.db2.gz BUHOBHSJAVFIPU-GWCFXTLKSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)o1 ZINC000347271013 386314114 /nfs/dbraw/zinc/31/41/14/386314114.db2.gz BUHOBHSJAVFIPU-GWCFXTLKSA-N 1 2 239.315 1.424 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(F)cc(Cl)c1 ZINC000276382807 386314548 /nfs/dbraw/zinc/31/45/48/386314548.db2.gz AXMIQWBEKMQZEH-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(F)cc(Cl)c1 ZINC000276382807 386314551 /nfs/dbraw/zinc/31/45/51/386314551.db2.gz AXMIQWBEKMQZEH-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO Cc1[nH]c(C(=O)NCC(F)(F)F)c[nH+]1 ZINC000264678255 386261773 /nfs/dbraw/zinc/26/17/73/386261773.db2.gz KLWOXMBUPSUCLM-UHFFFAOYSA-N 1 2 207.155 1.010 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccnc1 ZINC000264702209 386263329 /nfs/dbraw/zinc/26/33/29/386263329.db2.gz BZQUIYNNEWAZTF-NSHDSACASA-N 1 2 244.298 1.026 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cncc(F)c2)n1 ZINC000347161553 386264112 /nfs/dbraw/zinc/26/41/12/386264112.db2.gz HXAKEQZPBNUAES-ZETCQYMHSA-N 1 2 236.250 1.763 20 0 BDADLO C[C@@H]1C[NH+](CCOC2CCC2)C[C@@H](C)S1=O ZINC000347170589 386267251 /nfs/dbraw/zinc/26/72/51/386267251.db2.gz PNQUZQNRNSTJGR-GHMZBOCLSA-N 1 2 245.388 1.397 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccccc2)C1 ZINC000297585769 386267515 /nfs/dbraw/zinc/26/75/15/386267515.db2.gz IULGJXLUGHOORT-UHFFFAOYSA-N 1 2 235.327 1.924 20 0 BDADLO CO[C@@H](CNC(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000297653477 386270891 /nfs/dbraw/zinc/27/08/91/386270891.db2.gz DTVDFJOCLKVSRD-LBPRGKRZSA-N 1 2 249.314 1.937 20 0 BDADLO C[C@H](CF)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000289260505 386277190 /nfs/dbraw/zinc/27/71/90/386277190.db2.gz VDRMQQILYOFEAU-SNVBAGLBSA-N 1 2 242.298 1.273 20 0 BDADLO CSc1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000264870315 386278742 /nfs/dbraw/zinc/27/87/42/386278742.db2.gz QUPWWGBFZJPPOV-UHFFFAOYSA-N 1 2 240.328 1.389 20 0 BDADLO CCN(CC1CC1)C(=O)NCc1[nH+]ccn1C ZINC000264862061 386278968 /nfs/dbraw/zinc/27/89/68/386278968.db2.gz SEDWIRRWBJOJMA-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO C[C@@]1([NH2+]CCOc2ccccc2)CCOC1=O ZINC000289740296 386348966 /nfs/dbraw/zinc/34/89/66/386348966.db2.gz YBYOZCIMDGFIIJ-CYBMUJFWSA-N 1 2 235.283 1.361 20 0 BDADLO Cn1cccc1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000289752692 386349762 /nfs/dbraw/zinc/34/97/62/386349762.db2.gz QQRIKQBGRMHLTB-NSHDSACASA-N 1 2 244.285 1.881 20 0 BDADLO Cn1cccc1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000289752692 386349767 /nfs/dbraw/zinc/34/97/67/386349767.db2.gz QQRIKQBGRMHLTB-NSHDSACASA-N 1 2 244.285 1.881 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cccs1 ZINC000298479567 386352640 /nfs/dbraw/zinc/35/26/40/386352640.db2.gz FHCNBRWUVTYVHD-QMMMGPOBSA-N 1 2 249.343 1.920 20 0 BDADLO CC(C)CN1CC[N@H+](CCCF)CC1=O ZINC000187101403 386357864 /nfs/dbraw/zinc/35/78/64/386357864.db2.gz YALANXGPNZLAIO-UHFFFAOYSA-N 1 2 216.300 1.146 20 0 BDADLO CC(C)CN1CC[N@@H+](CCCF)CC1=O ZINC000187101403 386357868 /nfs/dbraw/zinc/35/78/68/386357868.db2.gz YALANXGPNZLAIO-UHFFFAOYSA-N 1 2 216.300 1.146 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC(c2ccncn2)CC1 ZINC000298532038 386357906 /nfs/dbraw/zinc/35/79/06/386357906.db2.gz WMBPVDDBUFHWPI-JTQLQIEISA-N 1 2 249.314 1.218 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCOCC1CC1 ZINC000276665480 386363544 /nfs/dbraw/zinc/36/35/44/386363544.db2.gz NCBBGFZOWUVEAO-SNAWJCMRSA-N 1 2 249.314 1.356 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000265755638 386365904 /nfs/dbraw/zinc/36/59/04/386365904.db2.gz GEFNGNFYSKUHEN-SECBINFHSA-N 1 2 245.273 1.747 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000265755638 386365911 /nfs/dbraw/zinc/36/59/11/386365911.db2.gz GEFNGNFYSKUHEN-SECBINFHSA-N 1 2 245.273 1.747 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1ccon1 ZINC000265798036 386369987 /nfs/dbraw/zinc/36/99/87/386369987.db2.gz NOWMDBOTLPYIKV-UHFFFAOYSA-N 1 2 212.293 1.922 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1ccon1 ZINC000265798036 386369994 /nfs/dbraw/zinc/36/99/94/386369994.db2.gz NOWMDBOTLPYIKV-UHFFFAOYSA-N 1 2 212.293 1.922 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1cc[nH]n1 ZINC000289924314 386371904 /nfs/dbraw/zinc/37/19/04/386371904.db2.gz VNZWZZHEJPYUDK-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCCCC1 ZINC000276759365 386372388 /nfs/dbraw/zinc/37/23/88/386372388.db2.gz WVFSTYJQSXVFNG-VOTSOKGWSA-N 1 2 219.288 1.872 20 0 BDADLO CO[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000336774998 386380248 /nfs/dbraw/zinc/38/02/48/386380248.db2.gz XTJSLTAHPHFNSD-MNOVXSKESA-N 1 2 221.304 1.434 20 0 BDADLO Cc1cn2cc(NC(=O)c3cn[nH]n3)ccc2[nH+]1 ZINC000339267420 386327429 /nfs/dbraw/zinc/32/74/29/386327429.db2.gz DUKKZYGLERWOGJ-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ccn(C)n1 ZINC000276458852 386328112 /nfs/dbraw/zinc/32/81/12/386328112.db2.gz OIVJLLYXJOPDKL-UHFFFAOYSA-N 1 2 219.292 1.143 20 0 BDADLO CC(C)COCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000647933139 386329509 /nfs/dbraw/zinc/32/95/09/386329509.db2.gz CDUBWDOJTBNWMH-UHFFFAOYSA-N 1 2 223.320 1.440 20 0 BDADLO CC(C)COCC[N@H+]1CCc2nc[nH]c2C1 ZINC000647933139 386329511 /nfs/dbraw/zinc/32/95/11/386329511.db2.gz CDUBWDOJTBNWMH-UHFFFAOYSA-N 1 2 223.320 1.440 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/C(C)(C)C ZINC000265372797 386329645 /nfs/dbraw/zinc/32/96/45/386329645.db2.gz OKSVYLBVUREZMP-AATRIKPKSA-N 1 2 221.304 1.639 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC(C1CC1)C1CC1 ZINC000276481828 386330215 /nfs/dbraw/zinc/33/02/15/386330215.db2.gz DZLFRCDMYNWXTJ-UHFFFAOYSA-N 1 2 247.342 1.658 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000276492337 386333063 /nfs/dbraw/zinc/33/30/63/386333063.db2.gz GNZMNXWYLKITOF-SNVBAGLBSA-N 1 2 232.287 1.865 20 0 BDADLO CCN(CC)C(=O)COc1cc[nH+]cc1 ZINC000276502072 386335218 /nfs/dbraw/zinc/33/52/18/386335218.db2.gz XJUWFYRINLEZQC-UHFFFAOYSA-N 1 2 208.261 1.329 20 0 BDADLO CC(C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276500162 386336116 /nfs/dbraw/zinc/33/61/16/386336116.db2.gz HSOPLQMTQPXAKZ-MOVJSRMASA-N 1 2 207.277 1.584 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1nnnn1C1CC1 ZINC000347338158 386336920 /nfs/dbraw/zinc/33/69/20/386336920.db2.gz LTQYRDXNKQJLTB-VIFPVBQESA-N 1 2 239.323 1.037 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1nnnn1C1CC1 ZINC000347338158 386336925 /nfs/dbraw/zinc/33/69/25/386336925.db2.gz LTQYRDXNKQJLTB-VIFPVBQESA-N 1 2 239.323 1.037 20 0 BDADLO C[N@@H+](Cc1cnns1)C[C@@H]1CCCCO1 ZINC000336681159 386337376 /nfs/dbraw/zinc/33/73/76/386337376.db2.gz IZRFEHSWKPAHDY-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO C[N@H+](Cc1cnns1)C[C@@H]1CCCCO1 ZINC000336681159 386337380 /nfs/dbraw/zinc/33/73/80/386337380.db2.gz IZRFEHSWKPAHDY-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@H]1OCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277559223 386445916 /nfs/dbraw/zinc/44/59/16/386445916.db2.gz VMHNDSOLCHBCOG-NXEZZACHSA-N 1 2 237.303 1.231 20 0 BDADLO CCc1ncc(CN[C@H]2CCC[N@H+](C)[C@H]2C)cn1 ZINC000414435273 386446681 /nfs/dbraw/zinc/44/66/81/386446681.db2.gz QUEZMYMFWIVGLK-AAEUAGOBSA-N 1 2 248.374 1.611 20 0 BDADLO CCc1ncc(CN[C@H]2CCC[N@@H+](C)[C@H]2C)cn1 ZINC000414435273 386446687 /nfs/dbraw/zinc/44/66/87/386446687.db2.gz QUEZMYMFWIVGLK-AAEUAGOBSA-N 1 2 248.374 1.611 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000290530830 386448451 /nfs/dbraw/zinc/44/84/51/386448451.db2.gz QPXUZNZDJQORTC-CMPLNLGQSA-N 1 2 241.356 1.720 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000290530830 386448454 /nfs/dbraw/zinc/44/84/54/386448454.db2.gz QPXUZNZDJQORTC-CMPLNLGQSA-N 1 2 241.356 1.720 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2ccon2)ccn1 ZINC000347553786 386451056 /nfs/dbraw/zinc/45/10/56/386451056.db2.gz IJYIVRNNVPMGNR-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3nc(C)no3)C2)c1 ZINC000290069341 386390646 /nfs/dbraw/zinc/39/06/46/386390646.db2.gz YEWBDSVQTXIFBB-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nc(C)no3)C2)c1 ZINC000290069341 386390649 /nfs/dbraw/zinc/39/06/49/386390649.db2.gz YEWBDSVQTXIFBB-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO CCc1cc(N)nc(SC[C@H](CC)OC)[nH+]1 ZINC000416901895 386411577 /nfs/dbraw/zinc/41/15/77/386411577.db2.gz CPWBVISEZVLQRT-VIFPVBQESA-N 1 2 241.360 1.969 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1nnc(C)s1 ZINC000347455529 386411925 /nfs/dbraw/zinc/41/19/25/386411925.db2.gz NCIMEOYRGNLYOC-QMMMGPOBSA-N 1 2 229.349 1.439 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1nnc(C)s1 ZINC000347455529 386411931 /nfs/dbraw/zinc/41/19/31/386411931.db2.gz NCIMEOYRGNLYOC-QMMMGPOBSA-N 1 2 229.349 1.439 20 0 BDADLO CCc1cc(C(=O)NCc2[nH+]ccn2CC)[nH]n1 ZINC000452571562 386411923 /nfs/dbraw/zinc/41/19/23/386411923.db2.gz CULFQCDQDRRGDN-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CCCO2)nn1C ZINC000336707688 386415392 /nfs/dbraw/zinc/41/53/92/386415392.db2.gz TWSUSCHYCIWDBO-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCO2)nn1C ZINC000336707688 386415396 /nfs/dbraw/zinc/41/53/96/386415396.db2.gz TWSUSCHYCIWDBO-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)cn2)CCO1 ZINC000336709136 386419045 /nfs/dbraw/zinc/41/90/45/386419045.db2.gz VWOLLWAZGLNGAC-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)cn2)CCO1 ZINC000336709136 386419051 /nfs/dbraw/zinc/41/90/51/386419051.db2.gz VWOLLWAZGLNGAC-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cc(NC[C@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000336777447 386422388 /nfs/dbraw/zinc/42/23/88/386422388.db2.gz IMXFGOQQXOYKBG-QWRGUYRKSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@@H](O)CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277374197 386430116 /nfs/dbraw/zinc/43/01/16/386430116.db2.gz HUYAGNTWBUKTGC-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO C[C@@H](O)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277374197 386430127 /nfs/dbraw/zinc/43/01/27/386430127.db2.gz HUYAGNTWBUKTGC-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC1 ZINC000299231326 386430035 /nfs/dbraw/zinc/43/00/35/386430035.db2.gz QUEDQCYHBXTTMD-UHFFFAOYSA-N 1 2 241.294 1.777 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](C2CC2)C1 ZINC000290781475 386474731 /nfs/dbraw/zinc/47/47/31/386474731.db2.gz CYCCQKPIRZLXNQ-ZDUSSCGKSA-N 1 2 247.342 1.922 20 0 BDADLO CO[C@H]1COC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000290795040 386476421 /nfs/dbraw/zinc/47/64/21/386476421.db2.gz XZXGQAKSRUKCBJ-STQMWFEESA-N 1 2 245.282 1.456 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(-c3ccco3)no2)C1 ZINC000417292621 386477577 /nfs/dbraw/zinc/47/75/77/386477577.db2.gz CSWMPAVVAWBQRT-JTQLQIEISA-N 1 2 249.270 1.723 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(-c3ccco3)no2)C1 ZINC000417292621 386477584 /nfs/dbraw/zinc/47/75/84/386477584.db2.gz CSWMPAVVAWBQRT-JTQLQIEISA-N 1 2 249.270 1.723 20 0 BDADLO C[C@H](CF)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290843040 386480102 /nfs/dbraw/zinc/48/01/02/386480102.db2.gz YRYJKEFAJORPQI-MRVPVSSYSA-N 1 2 236.250 1.814 20 0 BDADLO C[C@@H]1C[C@H]([NH+]=c2[nH]c3c(cccc3F)n2C)CO1 ZINC000335430074 386485470 /nfs/dbraw/zinc/48/54/70/386485470.db2.gz SYNJZRWGXJYCIO-BDAKNGLRSA-N 1 2 249.289 1.724 20 0 BDADLO CC[C@@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290908898 386487414 /nfs/dbraw/zinc/48/74/14/386487414.db2.gz IPOHVSSSQKWWTB-SNVBAGLBSA-N 1 2 221.304 1.662 20 0 BDADLO c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)[nH]n1 ZINC000187180504 386487831 /nfs/dbraw/zinc/48/78/31/386487831.db2.gz YCYCBDXVCJWPKR-MXWKQRLJSA-N 1 2 207.277 1.067 20 0 BDADLO C[NH+](C)Cc1nc(-c2ccc(O)c(F)c2)no1 ZINC000278077260 386489273 /nfs/dbraw/zinc/48/92/73/386489273.db2.gz FZPMRNCARSWJTM-UHFFFAOYSA-N 1 2 237.234 1.643 20 0 BDADLO COc1ncccc1CCNc1cc[nH+]c(C)n1 ZINC000290926639 386490175 /nfs/dbraw/zinc/49/01/75/386490175.db2.gz YGLVETNGBQCZGG-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO Cc1cnccc1CC[N@@H+]1CCNC(=O)C1(C)C ZINC000335433409 386491186 /nfs/dbraw/zinc/49/11/86/386491186.db2.gz BDNKNHCNJQZQSS-UHFFFAOYSA-N 1 2 247.342 1.143 20 0 BDADLO Cc1cnccc1CC[N@H+]1CCNC(=O)C1(C)C ZINC000335433409 386491192 /nfs/dbraw/zinc/49/11/92/386491192.db2.gz BDNKNHCNJQZQSS-UHFFFAOYSA-N 1 2 247.342 1.143 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H]1CCC=CO1 ZINC000278136669 386493130 /nfs/dbraw/zinc/49/31/30/386493130.db2.gz AEMDMEKDYOCKEE-NSHDSACASA-N 1 2 208.261 1.799 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H]1CCC=CO1 ZINC000278136669 386493137 /nfs/dbraw/zinc/49/31/37/386493137.db2.gz AEMDMEKDYOCKEE-NSHDSACASA-N 1 2 208.261 1.799 20 0 BDADLO CCCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278155843 386495247 /nfs/dbraw/zinc/49/52/47/386495247.db2.gz BSBQHINHHLBVAV-UHFFFAOYSA-N 1 2 234.307 1.548 20 0 BDADLO CCC1(C)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000291002086 386497540 /nfs/dbraw/zinc/49/75/40/386497540.db2.gz BVQWOZGRYGTKCL-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000267172373 386503842 /nfs/dbraw/zinc/50/38/42/386503842.db2.gz UYALMMGJKNIQHP-SECBINFHSA-N 1 2 221.304 1.425 20 0 BDADLO CSCCC(=O)NCc1[nH]c[nH+]c1C ZINC000267201535 386508375 /nfs/dbraw/zinc/50/83/75/386508375.db2.gz LLVUMKPCFGAJOC-UHFFFAOYSA-N 1 2 213.306 1.087 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1ccc(OC)cc1)C1CC1 ZINC000227766750 386510886 /nfs/dbraw/zinc/51/08/86/386510886.db2.gz DMHPOJXLVCDWLH-CYBMUJFWSA-N 1 2 249.310 1.736 20 0 BDADLO CCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000519613514 386511174 /nfs/dbraw/zinc/51/11/74/386511174.db2.gz YHMSTRPVGCIABJ-UHFFFAOYSA-N 1 2 209.293 1.870 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000335446076 386512168 /nfs/dbraw/zinc/51/21/68/386512168.db2.gz FAGMQUPOPJTUDW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000335446076 386512177 /nfs/dbraw/zinc/51/21/77/386512177.db2.gz FAGMQUPOPJTUDW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)n(C)n1 ZINC000335449454 386519078 /nfs/dbraw/zinc/51/90/78/386519078.db2.gz LXMMQRBWARYDAH-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)n(C)n1 ZINC000335449454 386519083 /nfs/dbraw/zinc/51/90/83/386519083.db2.gz LXMMQRBWARYDAH-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000336780107 386522210 /nfs/dbraw/zinc/52/22/10/386522210.db2.gz QLSFFHNMADPOBG-DTWKUNHWSA-N 1 2 246.332 1.148 20 0 BDADLO COC[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000277659156 386455243 /nfs/dbraw/zinc/45/52/43/386455243.db2.gz OWSBQXSNUPOULH-NXEZZACHSA-N 1 2 239.319 1.506 20 0 BDADLO C[C@H](CCO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277686393 386458399 /nfs/dbraw/zinc/45/83/99/386458399.db2.gz FOCGXSVXNPRVDH-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO C[C@H](CCO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277686393 386458403 /nfs/dbraw/zinc/45/84/03/386458403.db2.gz FOCGXSVXNPRVDH-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000299494868 386460006 /nfs/dbraw/zinc/46/00/06/386460006.db2.gz KKZHDDXRIYEFJI-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000299494868 386460012 /nfs/dbraw/zinc/46/00/12/386460012.db2.gz KKZHDDXRIYEFJI-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000336778325 386460156 /nfs/dbraw/zinc/46/01/56/386460156.db2.gz LAURHVRKJCTUSM-QMMMGPOBSA-N 1 2 224.308 1.569 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000335286865 386460158 /nfs/dbraw/zinc/46/01/58/386460158.db2.gz DKJJSHWCTIRMFE-GLEZIHRCSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCC(F)(F)F ZINC000335286865 386460163 /nfs/dbraw/zinc/46/01/63/386460163.db2.gz DKJJSHWCTIRMFE-GLEZIHRCSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000336778324 386460964 /nfs/dbraw/zinc/46/09/64/386460964.db2.gz LAURHVRKJCTUSM-MRVPVSSYSA-N 1 2 224.308 1.569 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cncs1 ZINC000290625141 386463184 /nfs/dbraw/zinc/46/31/84/386463184.db2.gz XNXQFCIXIGKDQZ-NXEZZACHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cncs1 ZINC000290625141 386463189 /nfs/dbraw/zinc/46/31/89/386463189.db2.gz XNXQFCIXIGKDQZ-NXEZZACHSA-N 1 2 242.344 1.115 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCO[C@@H](C)C1 ZINC000299541278 386466026 /nfs/dbraw/zinc/46/60/26/386466026.db2.gz AABZYNDDZNVXNU-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO C[C@H]1CCC[C@H](CNCC(F)(F)C[NH3+])C1 ZINC000414921617 386579730 /nfs/dbraw/zinc/57/97/30/386579730.db2.gz AVNYXWQSBCUWEB-UWVGGRQHSA-N 1 2 220.307 1.996 20 0 BDADLO C[C@H](C[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414921131 386581519 /nfs/dbraw/zinc/58/15/19/386581519.db2.gz AJFQDPVOKKIMDK-SECBINFHSA-N 1 2 236.344 1.371 20 0 BDADLO C[C@@H]1[C@H]([NH2+]Cc2csnn2)CCCN1C ZINC000336757269 386582087 /nfs/dbraw/zinc/58/20/87/386582087.db2.gz JZGWWQDRPRLLLT-PSASIEDQSA-N 1 2 226.349 1.110 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc[nH]n2)C[C@@H](C)O1 ZINC000245565740 386598513 /nfs/dbraw/zinc/59/85/13/386598513.db2.gz SDANWAGWDPYHNX-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@H](C)O1 ZINC000245565740 386598516 /nfs/dbraw/zinc/59/85/16/386598516.db2.gz SDANWAGWDPYHNX-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](OC)C1 ZINC000267781616 386583587 /nfs/dbraw/zinc/58/35/87/386583587.db2.gz IBLJPUWASRSWDC-QWHCGFSZSA-N 1 2 249.310 1.621 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](OC)C1 ZINC000267781616 386583592 /nfs/dbraw/zinc/58/35/92/386583592.db2.gz IBLJPUWASRSWDC-QWHCGFSZSA-N 1 2 249.310 1.621 20 0 BDADLO C[C@H]1[N@H+](Cc2cncn2C)CCOC1(C)C ZINC000335418878 386586299 /nfs/dbraw/zinc/58/62/99/386586299.db2.gz JTFGVHBAVGILNZ-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1[N@@H+](Cc2cncn2C)CCOC1(C)C ZINC000335418878 386586304 /nfs/dbraw/zinc/58/63/04/386586304.db2.gz JTFGVHBAVGILNZ-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1N(Cc2c[nH+]cn2C)CCOC1(C)C ZINC000335418878 386586308 /nfs/dbraw/zinc/58/63/08/386586308.db2.gz JTFGVHBAVGILNZ-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cscn1 ZINC000062660434 386590408 /nfs/dbraw/zinc/59/04/08/386590408.db2.gz YOHAJXISOYFUBF-MRVPVSSYSA-N 1 2 236.300 1.158 20 0 BDADLO CCn1cncc1CNc1ccc(N(C)C)c[nH+]1 ZINC000417939090 386590708 /nfs/dbraw/zinc/59/07/08/386590708.db2.gz VPQWXXOEAOWJFB-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO COc1cc(C)[nH+]c(CN(C)c2ccn(C)n2)c1 ZINC000291408600 386543152 /nfs/dbraw/zinc/54/31/52/386543152.db2.gz GBVDBTNHASWDMB-UHFFFAOYSA-N 1 2 246.314 1.769 20 0 BDADLO CC(C)c1nc(N2CC(=O)N(C)[C@H](C)C2)cc[nH+]1 ZINC000336902673 386544598 /nfs/dbraw/zinc/54/45/98/386544598.db2.gz CKMHZCBTFJCDCB-SNVBAGLBSA-N 1 2 248.330 1.267 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](c2ncon2)C(C)C)c[nH+]1 ZINC000278558117 386546736 /nfs/dbraw/zinc/54/67/36/386546736.db2.gz HFJASNFQJDDNJE-SECBINFHSA-N 1 2 249.274 1.228 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(OC)cc1F ZINC000519758403 386547364 /nfs/dbraw/zinc/54/73/64/386547364.db2.gz JGLLEZCDXNODJL-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(OC)cc1F ZINC000519758403 386547370 /nfs/dbraw/zinc/54/73/70/386547370.db2.gz JGLLEZCDXNODJL-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CCC1 ZINC000267554335 386553325 /nfs/dbraw/zinc/55/33/25/386553325.db2.gz YSUXJGWBYUNHHH-UHFFFAOYSA-N 1 2 207.277 1.525 20 0 BDADLO CCn1nncc1CNc1ccc(N(C)C)c[nH+]1 ZINC000417933238 386557432 /nfs/dbraw/zinc/55/74/32/386557432.db2.gz NIRFHKSCEDMLRN-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO COCCCOC1C[NH+](Cc2ccoc2C)C1 ZINC000414455427 386559387 /nfs/dbraw/zinc/55/93/87/386559387.db2.gz FZTOGVAGZLHVHR-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO Cc1cnc(C(=O)NCCNc2cccc[nH+]2)o1 ZINC000291668275 386565812 /nfs/dbraw/zinc/56/58/12/386565812.db2.gz CIPHDRSUMFEPMJ-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO C[C@@H](O)CN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000291687550 386569161 /nfs/dbraw/zinc/56/91/61/386569161.db2.gz HRSMGHQVQOIPNR-SECBINFHSA-N 1 2 248.286 1.179 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)no1 ZINC000399470213 386569584 /nfs/dbraw/zinc/56/95/84/386569584.db2.gz MIOOPGQALXGHPY-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)no1 ZINC000399470213 386569588 /nfs/dbraw/zinc/56/95/88/386569588.db2.gz MIOOPGQALXGHPY-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO COC[C@H]([NH2+]Cc1ncc(C)o1)[C@@H]1CCCO1 ZINC000279019741 386621210 /nfs/dbraw/zinc/62/12/10/386621210.db2.gz GNHGFCXPUIXIJX-QWRGUYRKSA-N 1 2 240.303 1.267 20 0 BDADLO CCc1cc(N)nc(SCc2ccnn2C)[nH+]1 ZINC000279042023 386623196 /nfs/dbraw/zinc/62/31/96/386623196.db2.gz GDLWTZKZWJVRHR-UHFFFAOYSA-N 1 2 249.343 1.647 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC000644933905 386624338 /nfs/dbraw/zinc/62/43/38/386624338.db2.gz BGLCHAXYUNSKCC-RXMQYKEDSA-N 1 2 221.207 1.132 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@H]1F ZINC000335499675 386625605 /nfs/dbraw/zinc/62/56/05/386625605.db2.gz JSMFJZALAYRODT-KOLCDFICSA-N 1 2 208.236 1.499 20 0 BDADLO CCN(C[C@@H](C)OC)c1[nH+]cnc2c1cnn2C ZINC000292187503 386630563 /nfs/dbraw/zinc/63/05/63/386630563.db2.gz BMQOGSGOEGOXIB-SECBINFHSA-N 1 2 249.318 1.225 20 0 BDADLO COC[C@](C)([NH2+]CCCC(C)(C)C)C(=O)OC ZINC000337170440 386633403 /nfs/dbraw/zinc/63/34/03/386633403.db2.gz CVCXAGVXDYHOFH-ZDUSSCGKSA-N 1 2 245.363 1.980 20 0 BDADLO CC(C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000335505796 386636628 /nfs/dbraw/zinc/63/66/28/386636628.db2.gz SOTOZWNPNGKNHV-JTQLQIEISA-N 1 2 228.242 1.489 20 0 BDADLO Cc1cncc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428105661 386637124 /nfs/dbraw/zinc/63/71/24/386637124.db2.gz ADEPJYGLDZQQKO-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO COC[C@](C)([NH2+]C[C@H](C)CC(C)C)C(=O)OC ZINC000337180781 386639526 /nfs/dbraw/zinc/63/95/26/386639526.db2.gz MDNGFRBGRPWHKZ-YPMHNXCESA-N 1 2 245.363 1.836 20 0 BDADLO Cn1cncc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000329241594 386642038 /nfs/dbraw/zinc/64/20/38/386642038.db2.gz RUQLRNWFSPLQEW-LLVKDONJSA-N 1 2 231.303 1.310 20 0 BDADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000335510028 386643075 /nfs/dbraw/zinc/64/30/75/386643075.db2.gz AKLINDJVXKNTLT-SNVBAGLBSA-N 1 2 235.331 1.702 20 0 BDADLO CC[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000268356707 386646554 /nfs/dbraw/zinc/64/65/54/386646554.db2.gz JPNGRPXUSXPGQJ-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000279192703 386647689 /nfs/dbraw/zinc/64/76/89/386647689.db2.gz LQNYDPSDGQSZDZ-GHMZBOCLSA-N 1 2 233.315 1.601 20 0 BDADLO CC(C)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366689563 386648035 /nfs/dbraw/zinc/64/80/35/386648035.db2.gz PIGXOOKKYUDLSW-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366689563 386648039 /nfs/dbraw/zinc/64/80/39/386648039.db2.gz PIGXOOKKYUDLSW-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cncc(F)c1 ZINC000268403634 386649149 /nfs/dbraw/zinc/64/91/49/386649149.db2.gz GUJWDXGDZDYYQP-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000335513300 386650017 /nfs/dbraw/zinc/65/00/17/386650017.db2.gz YHTYTFGJWOCCCR-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000335513300 386650022 /nfs/dbraw/zinc/65/00/22/386650022.db2.gz YHTYTFGJWOCCCR-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CC[C@H](C)C[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000645355587 386653370 /nfs/dbraw/zinc/65/33/70/386653370.db2.gz MSJUZSKQMCVIIW-ONGXEEELSA-N 1 2 223.320 1.994 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000106936805 386653995 /nfs/dbraw/zinc/65/39/95/386653995.db2.gz QJICEUAFXINGRI-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000106936805 386654004 /nfs/dbraw/zinc/65/40/04/386654004.db2.gz QJICEUAFXINGRI-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000366497388 386602151 /nfs/dbraw/zinc/60/21/51/386602151.db2.gz MRMIEINHLVBCMG-HDMKULJXSA-N 1 2 237.752 1.105 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000366497388 386602154 /nfs/dbraw/zinc/60/21/54/386602154.db2.gz MRMIEINHLVBCMG-HDMKULJXSA-N 1 2 237.752 1.105 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000291967235 386605700 /nfs/dbraw/zinc/60/57/00/386605700.db2.gz VIQITEWOTZROON-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000291967235 386605708 /nfs/dbraw/zinc/60/57/08/386605708.db2.gz VIQITEWOTZROON-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335489737 386607682 /nfs/dbraw/zinc/60/76/82/386607682.db2.gz VHJDCXMIMLVGHG-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CO[C@H]1COCC[C@H]1CNc1cccc[nH+]1 ZINC000450697346 386609071 /nfs/dbraw/zinc/60/90/71/386609071.db2.gz UVEHJVOZHXEJNF-QWRGUYRKSA-N 1 2 222.288 1.545 20 0 BDADLO Cc1ccc(NC(=O)CCCC(N)=O)c(C)[nH+]1 ZINC000278970955 386612086 /nfs/dbraw/zinc/61/20/86/386612086.db2.gz CKEYEUXZZPFQRU-UHFFFAOYSA-N 1 2 235.287 1.293 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)NCC(C)C ZINC000292063303 386616202 /nfs/dbraw/zinc/61/62/02/386616202.db2.gz BWLWPJWIIFWYKU-UHFFFAOYSA-N 1 2 238.331 1.792 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)NCC(C)C ZINC000292063303 386616212 /nfs/dbraw/zinc/61/62/12/386616212.db2.gz BWLWPJWIIFWYKU-UHFFFAOYSA-N 1 2 238.331 1.792 20 0 BDADLO CS[C@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000124573073 386659333 /nfs/dbraw/zinc/65/93/33/386659333.db2.gz UXERQQJURQRCQM-SSDOTTSWSA-N 1 2 226.301 1.867 20 0 BDADLO CCSCC[NH2+][C@@](C)(CC)C(=O)OC ZINC000336647478 386661415 /nfs/dbraw/zinc/66/14/15/386661415.db2.gz FIGQHZSRZZELRL-JTQLQIEISA-N 1 2 219.350 1.671 20 0 BDADLO CCSCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000336648294 386682893 /nfs/dbraw/zinc/68/28/93/386682893.db2.gz FYQXYNSDUXJHNX-TVQRCGJNSA-N 1 2 221.391 1.192 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000292443390 386669609 /nfs/dbraw/zinc/66/96/09/386669609.db2.gz XDBYXLHLNLLYNR-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)N(C)C1CC1 ZINC000292443390 386669616 /nfs/dbraw/zinc/66/96/16/386669616.db2.gz XDBYXLHLNLLYNR-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000337210278 386669742 /nfs/dbraw/zinc/66/97/42/386669742.db2.gz TVXZPTCGBFMNMD-JQWIXIFHSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1nccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000337210278 386669747 /nfs/dbraw/zinc/66/97/47/386669747.db2.gz TVXZPTCGBFMNMD-JQWIXIFHSA-N 1 2 241.310 1.369 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCCCCO ZINC000279375002 386673236 /nfs/dbraw/zinc/67/32/36/386673236.db2.gz IIRSPOPJUDTYJY-UHFFFAOYSA-N 1 2 211.309 1.313 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCCCCO ZINC000279375002 386673245 /nfs/dbraw/zinc/67/32/45/386673245.db2.gz IIRSPOPJUDTYJY-UHFFFAOYSA-N 1 2 211.309 1.313 20 0 BDADLO CCSCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000336648294 386682885 /nfs/dbraw/zinc/68/28/85/386682885.db2.gz FYQXYNSDUXJHNX-TVQRCGJNSA-N 1 2 221.391 1.192 20 0 BDADLO COC(=O)C[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000339831726 386681298 /nfs/dbraw/zinc/68/12/98/386681298.db2.gz STTBOJCFWKYMPK-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)C[N@@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000339831726 386681307 /nfs/dbraw/zinc/68/13/07/386681307.db2.gz STTBOJCFWKYMPK-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000353216191 386657527 /nfs/dbraw/zinc/65/75/27/386657527.db2.gz DJMBDIPFVREGPC-HTQZYQBOSA-N 1 2 229.349 1.874 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000353216191 386657535 /nfs/dbraw/zinc/65/75/35/386657535.db2.gz DJMBDIPFVREGPC-HTQZYQBOSA-N 1 2 229.349 1.874 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cn1 ZINC000414474666 386658233 /nfs/dbraw/zinc/65/82/33/386658233.db2.gz YOMKIXMJQRZSRK-CYBMUJFWSA-N 1 2 238.306 1.814 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H](CF)C2)cn1 ZINC000414474666 386658236 /nfs/dbraw/zinc/65/82/36/386658236.db2.gz YOMKIXMJQRZSRK-CYBMUJFWSA-N 1 2 238.306 1.814 20 0 BDADLO CC[C@H](OC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268513555 386658446 /nfs/dbraw/zinc/65/84/46/386658446.db2.gz KQRPZPUCSNDMSG-NSHDSACASA-N 1 2 247.298 1.376 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000050075149 386685704 /nfs/dbraw/zinc/68/57/04/386685704.db2.gz XFWHNPPPMQEBIE-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000050075149 386685711 /nfs/dbraw/zinc/68/57/11/386685711.db2.gz XFWHNPPPMQEBIE-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000337273639 386689723 /nfs/dbraw/zinc/68/97/23/386689723.db2.gz CUPYCVITLTWXQS-NXEZZACHSA-N 1 2 245.273 1.968 20 0 BDADLO CC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647956361 386689870 /nfs/dbraw/zinc/68/98/70/386689870.db2.gz MBXBJOBOOSIZCE-SNVBAGLBSA-N 1 2 208.309 1.469 20 0 BDADLO CC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647956361 386689872 /nfs/dbraw/zinc/68/98/72/386689872.db2.gz MBXBJOBOOSIZCE-SNVBAGLBSA-N 1 2 208.309 1.469 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)CC1CC1)[NH+]1CCOCC1 ZINC000352846435 386711761 /nfs/dbraw/zinc/71/17/61/386711761.db2.gz PLIIJPKNLGQYSF-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(C)no1 ZINC000337255415 386692880 /nfs/dbraw/zinc/69/28/80/386692880.db2.gz SSRJXLRYYVZSEO-SNVBAGLBSA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(C)no1 ZINC000337255415 386692886 /nfs/dbraw/zinc/69/28/86/386692886.db2.gz SSRJXLRYYVZSEO-SNVBAGLBSA-N 1 2 240.303 1.757 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335475548 386698159 /nfs/dbraw/zinc/69/81/59/386698159.db2.gz KTVBKVORJOATKA-VXNVDRBHSA-N 1 2 225.317 1.011 20 0 BDADLO Cc1[nH+]c(C(C)C)ccc1Cn1cnn(C)c1=O ZINC000292675399 386707254 /nfs/dbraw/zinc/70/72/54/386707254.db2.gz OMYQMGHGAFKSQC-UHFFFAOYSA-N 1 2 246.314 1.457 20 0 BDADLO CCC1(C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000268987174 386731547 /nfs/dbraw/zinc/73/15/47/386731547.db2.gz MDFWEMDXUCNJCH-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCCCCC1)[C@@H](C)O ZINC000191958895 386732088 /nfs/dbraw/zinc/73/20/88/386732088.db2.gz LKJMAWGAPQDVEV-MWLCHTKSSA-N 1 2 229.320 1.221 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CCCCC1)[C@@H](C)O ZINC000191963094 386732648 /nfs/dbraw/zinc/73/26/48/386732648.db2.gz PFVDXPPEWLNMMH-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000647961634 386735819 /nfs/dbraw/zinc/73/58/19/386735819.db2.gz VLLLXGJKYCQWJE-ZDUSSCGKSA-N 1 2 242.326 1.837 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000647961634 386735827 /nfs/dbraw/zinc/73/58/27/386735827.db2.gz VLLLXGJKYCQWJE-ZDUSSCGKSA-N 1 2 242.326 1.837 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000334145886 386740766 /nfs/dbraw/zinc/74/07/66/386740766.db2.gz BAFSRVOLVXNTKQ-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)[C@@H]1CCCOC1 ZINC000334145886 386740768 /nfs/dbraw/zinc/74/07/68/386740768.db2.gz BAFSRVOLVXNTKQ-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CCCCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000367254118 386717153 /nfs/dbraw/zinc/71/71/53/386717153.db2.gz GGRBLLYPYWOEJX-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000367254118 386717160 /nfs/dbraw/zinc/71/71/60/386717160.db2.gz GGRBLLYPYWOEJX-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO COC(=O)CC1([NH2+]Cc2ccn[nH]2)CCCC1 ZINC000279667199 386717409 /nfs/dbraw/zinc/71/74/09/386717409.db2.gz MUFHDQXVNFBWMY-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO COC[C@@H](O)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292758930 386719808 /nfs/dbraw/zinc/71/98/08/386719808.db2.gz OHYFHYLQJQHEFP-WDEREUQCSA-N 1 2 245.269 1.590 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccn1 ZINC000339866837 386724211 /nfs/dbraw/zinc/72/42/11/386724211.db2.gz NEJHSLARUQLRCK-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccn1 ZINC000339866837 386724218 /nfs/dbraw/zinc/72/42/18/386724218.db2.gz NEJHSLARUQLRCK-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000279695219 386725091 /nfs/dbraw/zinc/72/50/91/386725091.db2.gz GLFFPIWATPBKMM-NSHDSACASA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000279695219 386725096 /nfs/dbraw/zinc/72/50/96/386725096.db2.gz GLFFPIWATPBKMM-NSHDSACASA-N 1 2 224.304 1.922 20 0 BDADLO C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCOC1=O ZINC000248006058 386740375 /nfs/dbraw/zinc/74/03/75/386740375.db2.gz AQGLDNAFMZONNM-SNVBAGLBSA-N 1 2 249.266 1.163 20 0 BDADLO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCOC1=O ZINC000248006058 386740378 /nfs/dbraw/zinc/74/03/78/386740378.db2.gz AQGLDNAFMZONNM-SNVBAGLBSA-N 1 2 249.266 1.163 20 0 BDADLO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000339864142 386727299 /nfs/dbraw/zinc/72/72/99/386727299.db2.gz CNOBRMXPIHUZTL-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO O=C1NCCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000264627406 386729232 /nfs/dbraw/zinc/72/92/32/386729232.db2.gz BJBBSTMIACKSJA-SNVBAGLBSA-N 1 2 246.314 1.435 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)C1CC1 ZINC000527002531 386729288 /nfs/dbraw/zinc/72/92/88/386729288.db2.gz TXYAAUVSQTZJCA-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ccccn1 ZINC000268989771 386730384 /nfs/dbraw/zinc/73/03/84/386730384.db2.gz UMTYNJRESSDZQX-UHFFFAOYSA-N 1 2 216.288 1.805 20 0 BDADLO CC[C@](C)([NH2+]Cc1ncc(C2CC2)o1)C(N)=O ZINC000340702238 386745226 /nfs/dbraw/zinc/74/52/26/386745226.db2.gz XPIQFHMUIKADAI-LBPRGKRZSA-N 1 2 237.303 1.296 20 0 BDADLO COCC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000457590040 386747906 /nfs/dbraw/zinc/74/79/06/386747906.db2.gz YHONAALNONAHLU-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO COCC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000457590040 386747916 /nfs/dbraw/zinc/74/79/16/386747916.db2.gz YHONAALNONAHLU-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000292912676 386749004 /nfs/dbraw/zinc/74/90/04/386749004.db2.gz HODCZWLSOMYEQJ-NOZJJQNGSA-N 1 2 244.298 1.427 20 0 BDADLO CC(=O)c1ccc(C(=O)Nc2cc[nH+]cc2C)[nH]1 ZINC000334151798 386749140 /nfs/dbraw/zinc/74/91/40/386749140.db2.gz LIUMNMDOTKWZRQ-UHFFFAOYSA-N 1 2 243.266 1.595 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCO[C@@H]4C[C@@H]43)n2c1 ZINC000366533866 386755174 /nfs/dbraw/zinc/75/51/74/386755174.db2.gz UYJJKVZIUAAEIC-QWHCGFSZSA-N 1 2 243.310 1.616 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051043769 386759320 /nfs/dbraw/zinc/75/93/20/386759320.db2.gz ISQLAFNJHHNSPD-SECBINFHSA-N 1 2 246.270 1.477 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCNC1=O ZINC000269256564 386768386 /nfs/dbraw/zinc/76/83/86/386768386.db2.gz CADOKNUBCQYFCV-LLVKDONJSA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCNC1=O ZINC000269256564 386768390 /nfs/dbraw/zinc/76/83/90/386768390.db2.gz CADOKNUBCQYFCV-LLVKDONJSA-N 1 2 240.253 1.285 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1c(F)cccc1F ZINC000269242743 386768481 /nfs/dbraw/zinc/76/84/81/386768481.db2.gz CDDAPFCIHBIECT-GMSGAONNSA-N 1 2 240.253 1.504 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000643396993 386741424 /nfs/dbraw/zinc/74/14/24/386741424.db2.gz REINRKQNAXLENM-JTQLQIEISA-N 1 2 247.302 1.276 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000643396993 386741432 /nfs/dbraw/zinc/74/14/32/386741432.db2.gz REINRKQNAXLENM-JTQLQIEISA-N 1 2 247.302 1.276 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H](C)C2)no1 ZINC000334144403 386743519 /nfs/dbraw/zinc/74/35/19/386743519.db2.gz XYKBYNWCPXBOQH-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H](C)C2)no1 ZINC000334144403 386743523 /nfs/dbraw/zinc/74/35/23/386743523.db2.gz XYKBYNWCPXBOQH-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)OC ZINC000336668865 386795551 /nfs/dbraw/zinc/79/55/51/386795551.db2.gz SUKUKQLWOMHIDV-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@]12CCOC2 ZINC000357377887 386772151 /nfs/dbraw/zinc/77/21/51/386772151.db2.gz WKFVMFCDVYRVLL-ZDUSSCGKSA-N 1 2 249.314 1.124 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(O)cc1 ZINC000357376877 386772346 /nfs/dbraw/zinc/77/23/46/386772346.db2.gz FGYYSCLZEKNLPP-UHFFFAOYSA-N 1 2 245.282 1.697 20 0 BDADLO CCSCC[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000336761618 386774966 /nfs/dbraw/zinc/77/49/66/386774966.db2.gz MVAYCLGQEOYQPJ-VHSXEESVSA-N 1 2 233.377 1.917 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1nc2ccccc2o1 ZINC000269311477 386777379 /nfs/dbraw/zinc/77/73/79/386777379.db2.gz IGWJCGNXFBXPPM-JTQLQIEISA-N 1 2 247.298 1.524 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000269311477 386777383 /nfs/dbraw/zinc/77/73/83/386777383.db2.gz IGWJCGNXFBXPPM-JTQLQIEISA-N 1 2 247.298 1.524 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](C)OC)C(=O)OCC ZINC000191222667 386778187 /nfs/dbraw/zinc/77/81/87/386778187.db2.gz PNFVRQABHYWAFM-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO COC1(C)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000334639802 386781114 /nfs/dbraw/zinc/78/11/14/386781114.db2.gz MUKHAZXVYPLHRQ-UHFFFAOYSA-N 1 2 217.272 1.788 20 0 BDADLO Cn1nccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000357443252 386784467 /nfs/dbraw/zinc/78/44/67/386784467.db2.gz VSVAPMDTXSUVCT-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CC[C@H](C)O)[C@@H](C)CC ZINC000411484513 386821139 /nfs/dbraw/zinc/82/11/39/386821139.db2.gz YMKAZXKZEPERCP-GARJFASQSA-N 1 2 231.336 1.325 20 0 BDADLO CCc1noc([C@@H](C)N2CCn3c[nH+]cc3C2)n1 ZINC000647939227 386821152 /nfs/dbraw/zinc/82/11/52/386821152.db2.gz GUGNJGNURBGDKP-SECBINFHSA-N 1 2 247.302 1.405 20 0 BDADLO CC[C@@H](NC(=O)CC(F)(F)F)c1[nH]cc[nH+]1 ZINC000125341311 386797960 /nfs/dbraw/zinc/79/79/60/386797960.db2.gz CAIRTBKMVYCHLS-ZCFIWIBFSA-N 1 2 235.209 1.929 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@H](C)C1 ZINC000269476912 386799224 /nfs/dbraw/zinc/79/92/24/386799224.db2.gz DRFXFIXWLIKNGO-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@H](C)C1 ZINC000269476912 386799229 /nfs/dbraw/zinc/79/92/29/386799229.db2.gz DRFXFIXWLIKNGO-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO C[C@]1(C(N)=O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000280311684 386800470 /nfs/dbraw/zinc/80/04/70/386800470.db2.gz SHSUDXCSFRVQHI-ZDUSSCGKSA-N 1 2 246.314 1.056 20 0 BDADLO COCc1noc([C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000329760568 386803339 /nfs/dbraw/zinc/80/33/39/386803339.db2.gz QHVREUIQETVIKP-VIFPVBQESA-N 1 2 223.276 1.515 20 0 BDADLO COCc1noc([C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000329760568 386803345 /nfs/dbraw/zinc/80/33/45/386803345.db2.gz QHVREUIQETVIKP-VIFPVBQESA-N 1 2 223.276 1.515 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000330638699 386809074 /nfs/dbraw/zinc/80/90/74/386809074.db2.gz VZXXSSWBQWRHLF-WDEREUQCSA-N 1 2 249.314 1.035 20 0 BDADLO COc1cccc(CC[NH2+]Cc2ccn[nH]2)n1 ZINC000344940680 386809284 /nfs/dbraw/zinc/80/92/84/386809284.db2.gz AHRJMNFGVQFQKM-UHFFFAOYSA-N 1 2 232.287 1.146 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000366586400 386826347 /nfs/dbraw/zinc/82/63/47/386826347.db2.gz YOCLFPBTSBAGHX-DGCLKSJQSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000366586400 386826352 /nfs/dbraw/zinc/82/63/52/386826352.db2.gz YOCLFPBTSBAGHX-DGCLKSJQSA-N 1 2 249.314 1.026 20 0 BDADLO Fc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000334777781 386830328 /nfs/dbraw/zinc/83/03/28/386830328.db2.gz DVBVGNVLTFIQAQ-TXEJJXNPSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000334777781 386830333 /nfs/dbraw/zinc/83/03/33/386830333.db2.gz DVBVGNVLTFIQAQ-TXEJJXNPSA-N 1 2 222.263 1.584 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000280640073 386832590 /nfs/dbraw/zinc/83/25/90/386832590.db2.gz ZJRMKVGQCKJBNN-LLVKDONJSA-N 1 2 220.272 1.754 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000301347262 386836053 /nfs/dbraw/zinc/83/60/53/386836053.db2.gz HLYDKMBZSXKMNL-NXEZZACHSA-N 1 2 234.303 1.241 20 0 BDADLO CC(=O)c1cc(NC(=O)C[NH+](C)C)ccc1F ZINC000341075578 386842246 /nfs/dbraw/zinc/84/22/46/386842246.db2.gz RYCFAINUXMQAFN-UHFFFAOYSA-N 1 2 238.262 1.528 20 0 BDADLO c1nnc([C@@H]([NH2+]CC2CCC2)c2cccnc2)[nH]1 ZINC000293596561 386846234 /nfs/dbraw/zinc/84/62/34/386846234.db2.gz FUUVOSIIZHCRCS-LBPRGKRZSA-N 1 2 243.314 1.679 20 0 BDADLO O=C(C[N@@H+]1CCOc2ccccc2C1)NC1CC1 ZINC000585381712 386852835 /nfs/dbraw/zinc/85/28/35/386852835.db2.gz WYKUMCBQPNZTBN-UHFFFAOYSA-N 1 2 246.310 1.160 20 0 BDADLO O=C(C[N@H+]1CCOc2ccccc2C1)NC1CC1 ZINC000585381712 386852840 /nfs/dbraw/zinc/85/28/40/386852840.db2.gz WYKUMCBQPNZTBN-UHFFFAOYSA-N 1 2 246.310 1.160 20 0 BDADLO CCCC(CCC)[NH2+][C@@H](COC)C(=O)OC ZINC000336739692 386893442 /nfs/dbraw/zinc/89/34/42/386893442.db2.gz PJBQOXCKJAFWNJ-NSHDSACASA-N 1 2 231.336 1.733 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c(C)[nH]1 ZINC000335746508 386868898 /nfs/dbraw/zinc/86/88/98/386868898.db2.gz FUVWXSYTJGTXFZ-ZDUSSCGKSA-N 1 2 248.326 1.271 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c(C)[nH]1 ZINC000335746508 386868899 /nfs/dbraw/zinc/86/88/99/386868899.db2.gz FUVWXSYTJGTXFZ-ZDUSSCGKSA-N 1 2 248.326 1.271 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CCC[C@H](O)C1 ZINC000335748994 386873749 /nfs/dbraw/zinc/87/37/49/386873749.db2.gz YIRJPNCQZLAUBZ-VIFPVBQESA-N 1 2 249.289 1.674 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CCO[C@@H](C)C2 ZINC000334837860 386880528 /nfs/dbraw/zinc/88/05/28/386880528.db2.gz XLXATHFJALIAPN-CABZTGNLSA-N 1 2 226.320 1.112 20 0 BDADLO C[C@@H](O)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000301838224 386882821 /nfs/dbraw/zinc/88/28/21/386882821.db2.gz YRMPQZMJQQAVTA-MRVPVSSYSA-N 1 2 232.287 1.395 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CCCO1 ZINC000330777427 386883766 /nfs/dbraw/zinc/88/37/66/386883766.db2.gz UPHUCTGEGHGNKV-NSHDSACASA-N 1 2 234.299 1.574 20 0 BDADLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000334840608 386883836 /nfs/dbraw/zinc/88/38/36/386883836.db2.gz QHSLNMUVMIYKFQ-VIFPVBQESA-N 1 2 219.288 1.450 20 0 BDADLO C[C@@H](CCCO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301865755 386887648 /nfs/dbraw/zinc/88/76/48/386887648.db2.gz DJCQDEYPUDVDOJ-VIFPVBQESA-N 1 2 246.314 1.785 20 0 BDADLO CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)O ZINC000293894873 386897815 /nfs/dbraw/zinc/89/78/15/386897815.db2.gz DTJFTRKAHGRXCO-VIFPVBQESA-N 1 2 239.319 1.008 20 0 BDADLO Cc1csc(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000334851652 386900617 /nfs/dbraw/zinc/90/06/17/386900617.db2.gz YDDMTHQVMPTFSM-RKDXNWHRSA-N 1 2 239.344 1.873 20 0 BDADLO CC[C@H]1C[C@H](C(=O)NCc2c[nH+]c[nH]2)CCO1 ZINC000330783953 386901877 /nfs/dbraw/zinc/90/18/77/386901877.db2.gz REWPYVRRUXYDSX-KOLCDFICSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@H]1C[C@H](C(=O)NCc2c[nH]c[nH+]2)CCO1 ZINC000330783953 386901882 /nfs/dbraw/zinc/90/18/82/386901882.db2.gz REWPYVRRUXYDSX-KOLCDFICSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CCO1 ZINC000330788431 386903593 /nfs/dbraw/zinc/90/35/93/386903593.db2.gz YPAZROLWGVIKGB-UWVGGRQHSA-N 1 2 237.303 1.231 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CCC[C@H]1CO ZINC000334857673 386909126 /nfs/dbraw/zinc/90/91/26/386909126.db2.gz UPHLEFUJQXFYHC-VIFPVBQESA-N 1 2 249.289 1.674 20 0 BDADLO c1c[nH+]c(CN2CCO[C@@H](C3CCC3)C2)[nH]1 ZINC000334819107 386946656 /nfs/dbraw/zinc/94/66/56/386946656.db2.gz OGWFJUVOOVBFOK-LLVKDONJSA-N 1 2 221.304 1.411 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000334865405 386921650 /nfs/dbraw/zinc/92/16/50/386921650.db2.gz SAXXJZILOSWGSI-GFCCVEGCSA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000334865405 386921655 /nfs/dbraw/zinc/92/16/55/386921655.db2.gz SAXXJZILOSWGSI-GFCCVEGCSA-N 1 2 249.289 1.733 20 0 BDADLO CC(C)(O)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000302393702 386922191 /nfs/dbraw/zinc/92/21/91/386922191.db2.gz GBVCMVXHXSMJFS-UHFFFAOYSA-N 1 2 246.314 1.785 20 0 BDADLO CC(C)c1nnc(CN2CCn3cc[nH+]c3C2)o1 ZINC000331908900 386923230 /nfs/dbraw/zinc/92/32/30/386923230.db2.gz RLYSELJKYUPZDU-UHFFFAOYSA-N 1 2 247.302 1.405 20 0 BDADLO c1nc(C[NH2+][C@H]2CCN(C3CC3)C2)co1 ZINC000336762464 386925449 /nfs/dbraw/zinc/92/54/49/386925449.db2.gz OEPXRGVKWPIZAD-VIFPVBQESA-N 1 2 207.277 1.001 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@H](C2CCC2)C1 ZINC000334818910 386947455 /nfs/dbraw/zinc/94/74/55/386947455.db2.gz LOKLJOIZKAYNQK-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000330317651 386927740 /nfs/dbraw/zinc/92/77/40/386927740.db2.gz QLHGVYXNGCPQGI-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000330317651 386927747 /nfs/dbraw/zinc/92/77/47/386927747.db2.gz QLHGVYXNGCPQGI-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO COCC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330956322 386928786 /nfs/dbraw/zinc/92/87/86/386928786.db2.gz MYYLITKWPXFACK-VIFPVBQESA-N 1 2 239.319 1.229 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)COC)c1[nH]cc[nH+]1 ZINC000330958643 386930881 /nfs/dbraw/zinc/93/08/81/386930881.db2.gz AMHLXWASDCPQFW-BDAKNGLRSA-N 1 2 225.292 1.260 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1c(C)cnn1C)CC2 ZINC000368030894 386932495 /nfs/dbraw/zinc/93/24/95/386932495.db2.gz QHWGSMAIKHALDN-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1c(C)cnn1C)CC2 ZINC000368030894 386932499 /nfs/dbraw/zinc/93/24/99/386932499.db2.gz QHWGSMAIKHALDN-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1ncncc1Cl ZINC000302735852 386934855 /nfs/dbraw/zinc/93/48/55/386934855.db2.gz ZJFLUBLUYCNQFF-UHFFFAOYSA-N 1 2 237.694 1.500 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)s1 ZINC000358748545 387007286 /nfs/dbraw/zinc/00/72/86/387007286.db2.gz WIIMJBSEKOCOMI-IONNQARKSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)s1 ZINC000358748545 387007287 /nfs/dbraw/zinc/00/72/87/387007287.db2.gz WIIMJBSEKOCOMI-IONNQARKSA-N 1 2 227.333 1.049 20 0 BDADLO CCS[C@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000331088363 386959090 /nfs/dbraw/zinc/95/90/90/386959090.db2.gz RRPAZXBGQKDFNM-JTQLQIEISA-N 1 2 241.360 1.804 20 0 BDADLO CCS[C@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000331088363 386959092 /nfs/dbraw/zinc/95/90/92/386959092.db2.gz RRPAZXBGQKDFNM-JTQLQIEISA-N 1 2 241.360 1.804 20 0 BDADLO CO[C@H](C[N@@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000368329875 386960029 /nfs/dbraw/zinc/96/00/29/386960029.db2.gz LDGDHQBLKHNMQH-HZSPNIEDSA-N 1 2 233.311 1.847 20 0 BDADLO CO[C@H](C[N@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000368329875 386960033 /nfs/dbraw/zinc/96/00/33/386960033.db2.gz LDGDHQBLKHNMQH-HZSPNIEDSA-N 1 2 233.311 1.847 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1C ZINC000352966465 386976780 /nfs/dbraw/zinc/97/67/80/386976780.db2.gz IZSMFMHRISDBHO-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000334904036 386978917 /nfs/dbraw/zinc/97/89/17/386978917.db2.gz XTFJIJQETWDGNU-VHSXEESVSA-N 1 2 220.272 1.175 20 0 BDADLO CS[C@H](C)CCC(=O)NCCn1cc[nH+]c1 ZINC000358558211 386979406 /nfs/dbraw/zinc/97/94/06/386979406.db2.gz YAKHOYIZCIJGMH-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO COC1(CC(=O)Nc2cc[nH+]cc2O)CCC1 ZINC000332436598 386979387 /nfs/dbraw/zinc/97/93/87/386979387.db2.gz CKGPRLYBJOTSDP-UHFFFAOYSA-N 1 2 236.271 1.107 20 0 BDADLO COCc1ccc(CN2CCn3cc[nH+]c3C2)o1 ZINC000352999615 386986498 /nfs/dbraw/zinc/98/64/98/386986498.db2.gz AUXDNKIPYHKNNH-UHFFFAOYSA-N 1 2 247.298 1.638 20 0 BDADLO COCc1nc(C[N@@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000332673095 386997552 /nfs/dbraw/zinc/99/75/52/386997552.db2.gz RFHNEOWOGQRMLZ-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000332673095 386997555 /nfs/dbraw/zinc/99/75/55/386997555.db2.gz RFHNEOWOGQRMLZ-VIFPVBQESA-N 1 2 239.319 1.836 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332719869 387004411 /nfs/dbraw/zinc/00/44/11/387004411.db2.gz RJSQICRCGAZGBA-QMMMGPOBSA-N 1 2 210.281 1.131 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332719869 387004415 /nfs/dbraw/zinc/00/44/15/387004415.db2.gz RJSQICRCGAZGBA-QMMMGPOBSA-N 1 2 210.281 1.131 20 0 BDADLO Cc1nc(N2CCOCC3(CCC3)C2)cc[nH+]1 ZINC000368700068 387005176 /nfs/dbraw/zinc/00/51/76/387005176.db2.gz NFMHLWZIZOBXOX-UHFFFAOYSA-N 1 2 233.315 1.792 20 0 BDADLO COC[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000332733099 387005694 /nfs/dbraw/zinc/00/56/94/387005694.db2.gz VABYMMOXGVVOEH-MRVPVSSYSA-N 1 2 236.275 1.144 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cncs2)C1 ZINC000332740051 387006545 /nfs/dbraw/zinc/00/65/45/387006545.db2.gz YRCPYGNBBBAJND-CBAPKCEASA-N 1 2 241.316 1.268 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cncs2)C1 ZINC000332740051 387006547 /nfs/dbraw/zinc/00/65/47/387006547.db2.gz YRCPYGNBBBAJND-CBAPKCEASA-N 1 2 241.316 1.268 20 0 BDADLO C[C@H](O)C[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000341645710 386948148 /nfs/dbraw/zinc/94/81/48/386948148.db2.gz XLDSAMTVCKROQE-UWVGGRQHSA-N 1 2 247.298 1.224 20 0 BDADLO CC(C)[C@@H](O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000368185974 386948759 /nfs/dbraw/zinc/94/87/59/386948759.db2.gz YAIPWNAJNHRTCL-NSHDSACASA-N 1 2 246.314 1.118 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC2CCC1CC2 ZINC000368199820 386950548 /nfs/dbraw/zinc/95/05/48/386950548.db2.gz BHIIKMRXBAHXBE-UHFFFAOYSA-N 1 2 248.330 1.504 20 0 BDADLO CC[C@@H](NC(=O)C1CCC(=O)CC1)c1[nH]cc[nH+]1 ZINC000333435846 387035930 /nfs/dbraw/zinc/03/59/30/387035930.db2.gz IRXFNNVIRDTNMO-LLVKDONJSA-N 1 2 249.314 1.736 20 0 BDADLO CCC[C@@](C)([NH2+]CCC(=O)OCC)C(=O)OC ZINC000118005515 387036058 /nfs/dbraw/zinc/03/60/58/387036058.db2.gz LLOJITBUKWMWPD-GFCCVEGCSA-N 1 2 245.319 1.261 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000369390329 387040772 /nfs/dbraw/zinc/04/07/72/387040772.db2.gz ZEBRHAGWCLNYOS-ZJUUUORDSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000369390329 387040775 /nfs/dbraw/zinc/04/07/75/387040775.db2.gz ZEBRHAGWCLNYOS-ZJUUUORDSA-N 1 2 211.261 1.034 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)no1 ZINC000369466963 387048537 /nfs/dbraw/zinc/04/85/37/387048537.db2.gz KTNSUQWMKDMXRU-WDEREUQCSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)no1 ZINC000369466963 387048541 /nfs/dbraw/zinc/04/85/41/387048541.db2.gz KTNSUQWMKDMXRU-WDEREUQCSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(N)=O ZINC000330649158 387059920 /nfs/dbraw/zinc/05/99/20/387059920.db2.gz IPENHQZLQZSPGZ-SECBINFHSA-N 1 2 207.277 1.746 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@H](C)C(N)=O ZINC000330649158 387059925 /nfs/dbraw/zinc/05/99/25/387059925.db2.gz IPENHQZLQZSPGZ-SECBINFHSA-N 1 2 207.277 1.746 20 0 BDADLO CCSCC[NH2+][C@H](CC(F)F)C(=O)OC ZINC000336765073 387061478 /nfs/dbraw/zinc/06/14/78/387061478.db2.gz QMFXCBDJGHDPGC-SSDOTTSWSA-N 1 2 241.303 1.526 20 0 BDADLO CC[C@@H](NC(=O)c1n[nH]c(C)c1C)c1[nH]cc[nH+]1 ZINC000331297029 387009214 /nfs/dbraw/zinc/00/92/14/387009214.db2.gz ZFJYFSMWBCIGLG-SECBINFHSA-N 1 2 247.302 1.631 20 0 BDADLO Cc1cc(NC[C@@]2(C)CCO[C@H]2C2CC2)nc[nH+]1 ZINC000341965927 387010210 /nfs/dbraw/zinc/01/02/10/387010210.db2.gz VJEJCKYASKJKNB-UONOGXRCSA-N 1 2 247.342 1.824 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000514610057 387013512 /nfs/dbraw/zinc/01/35/12/387013512.db2.gz QSAHPDPWOZEWPQ-VIFPVBQESA-N 1 2 237.303 1.330 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)n(C)n1 ZINC000334942971 387020240 /nfs/dbraw/zinc/02/02/40/387020240.db2.gz FMASGKQZTXFRPR-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)n(C)n1 ZINC000334942971 387020242 /nfs/dbraw/zinc/02/02/42/387020242.db2.gz FMASGKQZTXFRPR-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO CCc1cnc(C[N@H+](C)CC2(CO)CC2)o1 ZINC000527329777 387029701 /nfs/dbraw/zinc/02/97/01/387029701.db2.gz ZRPKFHGNAPHOIU-UHFFFAOYSA-N 1 2 224.304 1.441 20 0 BDADLO CCc1cnc(C[N@@H+](C)CC2(CO)CC2)o1 ZINC000527329777 387029706 /nfs/dbraw/zinc/02/97/06/387029706.db2.gz ZRPKFHGNAPHOIU-UHFFFAOYSA-N 1 2 224.304 1.441 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1COCC1(C)C ZINC000334982420 387069642 /nfs/dbraw/zinc/06/96/42/387069642.db2.gz XDJVWFGGSBTULZ-LLVKDONJSA-N 1 2 249.314 1.358 20 0 BDADLO O=C([C@@H]1CC=CCC1)N1CCn2cc[nH+]c2C1 ZINC000334993042 387082668 /nfs/dbraw/zinc/08/26/68/387082668.db2.gz YTGXTZGTBDZKII-LLVKDONJSA-N 1 2 231.299 1.582 20 0 BDADLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259811 387090151 /nfs/dbraw/zinc/09/01/51/387090151.db2.gz USXYJZMQNADNRQ-WDEREUQCSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259811 387090156 /nfs/dbraw/zinc/09/01/56/387090156.db2.gz USXYJZMQNADNRQ-WDEREUQCSA-N 1 2 242.338 1.868 20 0 BDADLO CCn1c[nH+]cc1CN(C(C)C)C1COC1 ZINC000418083003 387092352 /nfs/dbraw/zinc/09/23/52/387092352.db2.gz YSRXOZZQKDLMKW-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO Cn1nncc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000352342581 387093789 /nfs/dbraw/zinc/09/37/89/387093789.db2.gz VMOVDWNNKIQUIT-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1nncc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000352342581 387093792 /nfs/dbraw/zinc/09/37/92/387093792.db2.gz VMOVDWNNKIQUIT-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H]1CCCC[C@@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418084787 387093980 /nfs/dbraw/zinc/09/39/80/387093980.db2.gz RLZNESGVZXJPLT-WDEREUQCSA-N 1 2 245.388 1.542 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000336273176 387106674 /nfs/dbraw/zinc/10/66/74/387106674.db2.gz XVPAQANOCBTRHU-ZDUSSCGKSA-N 1 2 218.300 1.692 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000336273176 387106681 /nfs/dbraw/zinc/10/66/81/387106681.db2.gz XVPAQANOCBTRHU-ZDUSSCGKSA-N 1 2 218.300 1.692 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)n(C)n1 ZINC000334947110 387108253 /nfs/dbraw/zinc/10/82/53/387108253.db2.gz FFRQPMLIQPMNSS-SMDDNHRTSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)n(C)n1 ZINC000334947110 387108256 /nfs/dbraw/zinc/10/82/56/387108256.db2.gz FFRQPMLIQPMNSS-SMDDNHRTSA-N 1 2 249.358 1.728 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000188911284 387110880 /nfs/dbraw/zinc/11/08/80/387110880.db2.gz HQATUMMPECADGQ-GFCCVEGCSA-N 1 2 236.315 1.626 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000188911284 387110886 /nfs/dbraw/zinc/11/08/86/387110886.db2.gz HQATUMMPECADGQ-GFCCVEGCSA-N 1 2 236.315 1.626 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CC[C@H](C)F)C1 ZINC000352372658 387114921 /nfs/dbraw/zinc/11/49/21/387114921.db2.gz VJOZOVSWZCADHT-AEJSXWLSSA-N 1 2 242.298 1.315 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CC[C@H](C)F)C1 ZINC000352372658 387114932 /nfs/dbraw/zinc/11/49/32/387114932.db2.gz VJOZOVSWZCADHT-AEJSXWLSSA-N 1 2 242.298 1.315 20 0 BDADLO CSC[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000370422455 387115666 /nfs/dbraw/zinc/11/56/66/387115666.db2.gz RBQXGOWZHLNCNP-NSHDSACASA-N 1 2 249.339 1.669 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000370446998 387116413 /nfs/dbraw/zinc/11/64/13/387116413.db2.gz JHHCKIAFOXUBCE-PWSUYJOCSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000370446998 387116420 /nfs/dbraw/zinc/11/64/20/387116420.db2.gz JHHCKIAFOXUBCE-PWSUYJOCSA-N 1 2 234.299 1.638 20 0 BDADLO O=c1nc(Cn2cc[nH+]c2)[nH]c2ccsc21 ZINC000070163096 387118030 /nfs/dbraw/zinc/11/80/30/387118030.db2.gz OYFAJDDMVFULPC-UHFFFAOYSA-N 1 2 232.268 1.642 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000119313587 387119385 /nfs/dbraw/zinc/11/93/85/387119385.db2.gz JMNGBPKAPFLQDH-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)C(=O)OC ZINC000228728078 387123902 /nfs/dbraw/zinc/12/39/02/387123902.db2.gz HIZNNKYYPKAHOZ-IVZWLZJFSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)[C@H](C)CO ZINC000228730241 387124021 /nfs/dbraw/zinc/12/40/21/387124021.db2.gz HGJVYPLEOBUVOL-BBBLOLIVSA-N 1 2 231.336 1.323 20 0 BDADLO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000228730249 387124992 /nfs/dbraw/zinc/12/49/92/387124992.db2.gz HGJVYPLEOBUVOL-GUBZILKMSA-N 1 2 231.336 1.323 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)NCc2[nH+]ccn2C)C1 ZINC000334981040 387067961 /nfs/dbraw/zinc/06/79/61/387067961.db2.gz CWDGXOSCLQMDMV-UWVGGRQHSA-N 1 2 236.319 1.360 20 0 BDADLO CC(C)[C@@H](O)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336315640 387142277 /nfs/dbraw/zinc/14/22/77/387142277.db2.gz VSMFYRATLWTAAU-VHSXEESVSA-N 1 2 237.303 1.090 20 0 BDADLO C[N@H+](CCC(N)=O)Cc1ncc(Cl)s1 ZINC000353185316 387149968 /nfs/dbraw/zinc/14/99/68/387149968.db2.gz STSLADCKXNIAEE-UHFFFAOYSA-N 1 2 233.724 1.104 20 0 BDADLO C[N@@H+](CCC(N)=O)Cc1ncc(Cl)s1 ZINC000353185316 387149979 /nfs/dbraw/zinc/14/99/79/387149979.db2.gz STSLADCKXNIAEE-UHFFFAOYSA-N 1 2 233.724 1.104 20 0 BDADLO C[C@@H](CNC(=O)Cc1ccoc1)Cn1cc[nH+]c1 ZINC000186898185 387151065 /nfs/dbraw/zinc/15/10/65/387151065.db2.gz NYITUGUAIQSNCH-NSHDSACASA-N 1 2 247.298 1.471 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H](C)c2ncnn2C)cn1 ZINC000353182839 387151476 /nfs/dbraw/zinc/15/14/76/387151476.db2.gz PNPNYHRTXWOOCO-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359745808 387158429 /nfs/dbraw/zinc/15/84/29/387158429.db2.gz KAFRTJSHQCHJHF-UTUOFQBUSA-N 1 2 243.372 1.560 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359745808 387158436 /nfs/dbraw/zinc/15/84/36/387158436.db2.gz KAFRTJSHQCHJHF-UTUOFQBUSA-N 1 2 243.372 1.560 20 0 BDADLO CO[C@H]1CCC[C@@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336331436 387159577 /nfs/dbraw/zinc/15/95/77/387159577.db2.gz XBNBMCVRNLTMAP-YPMHNXCESA-N 1 2 248.326 1.956 20 0 BDADLO CCC[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OCC ZINC000359756253 387160233 /nfs/dbraw/zinc/16/02/33/387160233.db2.gz IWHHMIKYJABYSN-LBPRGKRZSA-N 1 2 238.331 1.847 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H](F)C1 ZINC000571804309 387173296 /nfs/dbraw/zinc/17/32/96/387173296.db2.gz CAEAPLKXPBLXKZ-NXEZZACHSA-N 1 2 225.267 1.280 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334061789 387173775 /nfs/dbraw/zinc/17/37/75/387173775.db2.gz YWDZJRKFZNBNAD-CYBMUJFWSA-N 1 2 247.342 1.665 20 0 BDADLO Nc1ncccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334061789 387173781 /nfs/dbraw/zinc/17/37/81/387173781.db2.gz YWDZJRKFZNBNAD-CYBMUJFWSA-N 1 2 247.342 1.665 20 0 BDADLO COc1cc(C[N@@H+]2CCOCC23CCC3)ccn1 ZINC000371250653 387182171 /nfs/dbraw/zinc/18/21/71/387182171.db2.gz ASEUEACXZUZIOQ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cc(C[N@H+]2CCOCC23CCC3)ccn1 ZINC000371250653 387182173 /nfs/dbraw/zinc/18/21/73/387182173.db2.gz ASEUEACXZUZIOQ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000336352606 387183707 /nfs/dbraw/zinc/18/37/07/387183707.db2.gz IMYQIGMHSWXUBE-ZYHUDNBSSA-N 1 2 234.299 1.302 20 0 BDADLO CCc1[nH]nc(NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000353358284 387187726 /nfs/dbraw/zinc/18/77/26/387187726.db2.gz YVCPHQWLSZGEOV-UHFFFAOYSA-N 1 2 247.302 1.575 20 0 BDADLO CCc1[nH]nc(NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000353358284 387187736 /nfs/dbraw/zinc/18/77/36/387187736.db2.gz YVCPHQWLSZGEOV-UHFFFAOYSA-N 1 2 247.302 1.575 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc(Cl)cs2)n1 ZINC000193200162 387191236 /nfs/dbraw/zinc/19/12/36/387191236.db2.gz FIFNAXNNQRFPGQ-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(CO)cc1 ZINC000352426157 387191654 /nfs/dbraw/zinc/19/16/54/387191654.db2.gz RBASAOQQDUGKDZ-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(CO)cc1 ZINC000352426157 387191659 /nfs/dbraw/zinc/19/16/59/387191659.db2.gz RBASAOQQDUGKDZ-UHFFFAOYSA-N 1 2 231.299 1.534 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000336312725 387139882 /nfs/dbraw/zinc/13/98/82/387139882.db2.gz BKHDPZCCAUEWPW-GXSJLCMTSA-N 1 2 228.267 1.450 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000336312725 387139884 /nfs/dbraw/zinc/13/98/84/387139884.db2.gz BKHDPZCCAUEWPW-GXSJLCMTSA-N 1 2 228.267 1.450 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000336371655 387203325 /nfs/dbraw/zinc/20/33/25/387203325.db2.gz MOXQPYOXVQSLNQ-LBPRGKRZSA-N 1 2 245.326 1.846 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000360000028 387208775 /nfs/dbraw/zinc/20/87/75/387208775.db2.gz JTHBZBALTCCOJO-UTUOFQBUSA-N 1 2 235.331 1.824 20 0 BDADLO c1nc2n(n1)CC[N@@H+]([C@@H]1/C=C/CCCCC1)C2 ZINC000336379819 387210127 /nfs/dbraw/zinc/21/01/27/387210127.db2.gz RYSPABLRBAWVML-FVOPLDGLSA-N 1 2 232.331 1.983 20 0 BDADLO c1nc2n(n1)CC[N@H+]([C@@H]1/C=C/CCCCC1)C2 ZINC000336379819 387210128 /nfs/dbraw/zinc/21/01/28/387210128.db2.gz RYSPABLRBAWVML-FVOPLDGLSA-N 1 2 232.331 1.983 20 0 BDADLO COCc1nc(C[N@H+](C)C2CC(O)C2)cs1 ZINC000353477490 387210831 /nfs/dbraw/zinc/21/08/31/387210831.db2.gz BZYCGTBRGJXWRO-UHFFFAOYSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1nc(C[N@@H+](C)C2CC(O)C2)cs1 ZINC000353477490 387210834 /nfs/dbraw/zinc/21/08/34/387210834.db2.gz BZYCGTBRGJXWRO-UHFFFAOYSA-N 1 2 242.344 1.245 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](C)OC)CCC(C)CC1 ZINC000360016796 387213848 /nfs/dbraw/zinc/21/38/48/387213848.db2.gz OHKMXIAJSWFQGE-QWKFWESOSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nnsc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000571980250 387214387 /nfs/dbraw/zinc/21/43/87/387214387.db2.gz BZGABPGRHLNVTI-KWKYVRJSSA-N 1 2 247.389 1.045 20 0 BDADLO Cc1nnsc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000571980250 387214390 /nfs/dbraw/zinc/21/43/90/387214390.db2.gz BZGABPGRHLNVTI-KWKYVRJSSA-N 1 2 247.389 1.045 20 0 BDADLO C[N@H+](Cc1csc(C2CC2)n1)C1CC(O)C1 ZINC000353489863 387214635 /nfs/dbraw/zinc/21/46/35/387214635.db2.gz PVUJNVQSWROBPX-UHFFFAOYSA-N 1 2 238.356 1.976 20 0 BDADLO C[N@@H+](Cc1csc(C2CC2)n1)C1CC(O)C1 ZINC000353489863 387214639 /nfs/dbraw/zinc/21/46/39/387214639.db2.gz PVUJNVQSWROBPX-UHFFFAOYSA-N 1 2 238.356 1.976 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572058180 387225409 /nfs/dbraw/zinc/22/54/09/387225409.db2.gz SDSBTWTWYDROSR-RKDXNWHRSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572058180 387225412 /nfs/dbraw/zinc/22/54/12/387225412.db2.gz SDSBTWTWYDROSR-RKDXNWHRSA-N 1 2 227.283 1.453 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000336405162 387234855 /nfs/dbraw/zinc/23/48/55/387234855.db2.gz HYURKHPGPYHKHG-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000336405162 387234859 /nfs/dbraw/zinc/23/48/59/387234859.db2.gz HYURKHPGPYHKHG-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(C)(C)O1 ZINC000336406480 387235679 /nfs/dbraw/zinc/23/56/79/387235679.db2.gz WFRRRYJRQNQCOZ-LLVKDONJSA-N 1 2 234.299 1.708 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000360185354 387241273 /nfs/dbraw/zinc/24/12/73/387241273.db2.gz YMQKFDZNWNPEMU-DTWKUNHWSA-N 1 2 207.277 1.462 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000371696931 387241851 /nfs/dbraw/zinc/24/18/51/387241851.db2.gz RBSGGQOKLPVLOW-DTWKUNHWSA-N 1 2 211.265 1.241 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000371696931 387241855 /nfs/dbraw/zinc/24/18/55/387241855.db2.gz RBSGGQOKLPVLOW-DTWKUNHWSA-N 1 2 211.265 1.241 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571894897 387195076 /nfs/dbraw/zinc/19/50/76/387195076.db2.gz JPAKNJRBUJZUGK-IQJOONFLSA-N 1 2 221.304 1.503 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571894897 387195080 /nfs/dbraw/zinc/19/50/80/387195080.db2.gz JPAKNJRBUJZUGK-IQJOONFLSA-N 1 2 221.304 1.503 20 0 BDADLO CCC1(C)CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000359954139 387198681 /nfs/dbraw/zinc/19/86/81/387198681.db2.gz JPAPSJBSRVNCQD-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO CCC1(C)CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000359954139 387198685 /nfs/dbraw/zinc/19/86/85/387198685.db2.gz JPAPSJBSRVNCQD-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO CC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000336369367 387201389 /nfs/dbraw/zinc/20/13/89/387201389.db2.gz NCZDGQSNRXQHNT-GFCCVEGCSA-N 1 2 229.283 1.977 20 0 BDADLO [NH3+]CC(F)(F)CN[C@H]1CCCC12CCOCC2 ZINC000423348564 387201509 /nfs/dbraw/zinc/20/15/09/387201509.db2.gz UFCOJQNGZMBUCV-JTQLQIEISA-N 1 2 248.317 1.519 20 0 BDADLO CCOC1CC(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353439105 387201571 /nfs/dbraw/zinc/20/15/71/387201571.db2.gz XIZRMNWXGRBPMW-UHFFFAOYSA-N 1 2 237.303 1.183 20 0 BDADLO Cn1[nH]c(C[N@@H+]2CC[C@H]2c2ccccc2)nc1=O ZINC000336486213 387313839 /nfs/dbraw/zinc/31/38/39/387313839.db2.gz IMBFABCOEMYFSU-NSHDSACASA-N 1 2 244.298 1.055 20 0 BDADLO Cn1[nH]c(C[N@H+]2CC[C@H]2c2ccccc2)nc1=O ZINC000336486213 387313843 /nfs/dbraw/zinc/31/38/43/387313843.db2.gz IMBFABCOEMYFSU-NSHDSACASA-N 1 2 244.298 1.055 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000572164177 387255777 /nfs/dbraw/zinc/25/57/77/387255777.db2.gz STJGARSMWXXUEF-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1C ZINC000336435661 387260293 /nfs/dbraw/zinc/26/02/93/387260293.db2.gz HPPZCAKRFPEICI-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1C ZINC000336435661 387260296 /nfs/dbraw/zinc/26/02/96/387260296.db2.gz HPPZCAKRFPEICI-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3cccc(F)c3)[C@H]12 ZINC000360334482 387265322 /nfs/dbraw/zinc/26/53/22/387265322.db2.gz KKJRUMAZRDWQAR-AAEUAGOBSA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3cccc(F)c3)[C@H]12 ZINC000360334482 387265326 /nfs/dbraw/zinc/26/53/26/387265326.db2.gz KKJRUMAZRDWQAR-AAEUAGOBSA-N 1 2 249.285 1.963 20 0 BDADLO CS[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353730896 387265665 /nfs/dbraw/zinc/26/56/65/387265665.db2.gz WKPVNJYFJVHERA-NXEZZACHSA-N 1 2 241.360 1.387 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1CCC1)CCC2 ZINC000372245773 387286718 /nfs/dbraw/zinc/28/67/18/387286718.db2.gz VSIGNAHHLOTCSD-LBPRGKRZSA-N 1 2 247.342 1.985 20 0 BDADLO CC(C)n1ncnc1C[NH+]1[C@H](C)C[C@H]1C ZINC000336461220 387290214 /nfs/dbraw/zinc/29/02/14/387290214.db2.gz UWARBUYJSYUGPZ-NXEZZACHSA-N 1 2 208.309 1.842 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)no1 ZINC000336532410 387354870 /nfs/dbraw/zinc/35/48/70/387354870.db2.gz XUHVJORCUVBVOZ-SNVBAGLBSA-N 1 2 246.270 1.683 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C1CC(OC(C)(C)C)C1 ZINC000360872294 387360515 /nfs/dbraw/zinc/36/05/15/387360515.db2.gz MCVCEGSCPGLKJX-UHFFFAOYSA-N 1 2 238.335 1.583 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C1CC(OC(C)(C)C)C1 ZINC000360872294 387360517 /nfs/dbraw/zinc/36/05/17/387360517.db2.gz MCVCEGSCPGLKJX-UHFFFAOYSA-N 1 2 238.335 1.583 20 0 BDADLO C[N@H+](CCCc1ccsc1)Cc1nnc[nH]1 ZINC000360965965 387372273 /nfs/dbraw/zinc/37/22/73/387372273.db2.gz LRSNYHKFQQKMRL-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO C[N@@H+](CCCc1ccsc1)Cc1nnc[nH]1 ZINC000360965965 387372277 /nfs/dbraw/zinc/37/22/77/387372277.db2.gz LRSNYHKFQQKMRL-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO c1coc([C@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)c1 ZINC000121516481 387375460 /nfs/dbraw/zinc/37/54/60/387375460.db2.gz PUSITWPDASPYPP-WCQYABFASA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)c1 ZINC000121516481 387375465 /nfs/dbraw/zinc/37/54/65/387375465.db2.gz PUSITWPDASPYPP-WCQYABFASA-N 1 2 237.299 1.832 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@H+](C1CC1)C1COC1 ZINC000648606440 387380630 /nfs/dbraw/zinc/38/06/30/387380630.db2.gz ALFJUXYPDJTRDH-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@@H+](C1CC1)C1COC1 ZINC000648606440 387380635 /nfs/dbraw/zinc/38/06/35/387380635.db2.gz ALFJUXYPDJTRDH-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1ccc(C)nc1)C2 ZINC000360987996 387382052 /nfs/dbraw/zinc/38/20/52/387382052.db2.gz WCYBNISMSLQBRT-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccc(C)nc1)C2 ZINC000360987996 387382057 /nfs/dbraw/zinc/38/20/57/387382057.db2.gz WCYBNISMSLQBRT-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000372659660 387319362 /nfs/dbraw/zinc/31/93/62/387319362.db2.gz HYSQNEFDJWJXQF-LLVKDONJSA-N 1 2 225.288 1.689 20 0 BDADLO CCOCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000372659660 387319366 /nfs/dbraw/zinc/31/93/66/387319366.db2.gz HYSQNEFDJWJXQF-LLVKDONJSA-N 1 2 225.288 1.689 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373568227 387382505 /nfs/dbraw/zinc/38/25/05/387382505.db2.gz MDYPNXKROXWEDQ-JQWIXIFHSA-N 1 2 247.342 1.702 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000354059809 387325652 /nfs/dbraw/zinc/32/56/52/387325652.db2.gz WXTQDDNNBIMXSS-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000354059809 387325657 /nfs/dbraw/zinc/32/56/57/387325657.db2.gz WXTQDDNNBIMXSS-NSHDSACASA-N 1 2 238.335 1.254 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)[C@@H](C)CO1 ZINC000029259117 387325691 /nfs/dbraw/zinc/32/56/91/387325691.db2.gz ZOFFRDNXIRQPCD-QWRGUYRKSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)[C@@H](C)CO1 ZINC000029259117 387325699 /nfs/dbraw/zinc/32/56/99/387325699.db2.gz ZOFFRDNXIRQPCD-QWRGUYRKSA-N 1 2 248.326 1.395 20 0 BDADLO Fc1ccc2c(c1)[C@H](NCc1[nH]cc[nH+]1)CO2 ZINC000336501763 387326544 /nfs/dbraw/zinc/32/65/44/387326544.db2.gz JHZCVIQCWATNAA-SNVBAGLBSA-N 1 2 233.246 1.772 20 0 BDADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ncc[nH]1)CO2 ZINC000336501763 387326552 /nfs/dbraw/zinc/32/65/52/387326552.db2.gz JHZCVIQCWATNAA-SNVBAGLBSA-N 1 2 233.246 1.772 20 0 BDADLO C[C@]1(CNc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000354092153 387329452 /nfs/dbraw/zinc/32/94/52/387329452.db2.gz NGBCEMFQZHRRNV-CYBMUJFWSA-N 1 2 233.315 1.614 20 0 BDADLO CCCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000354124332 387333445 /nfs/dbraw/zinc/33/34/45/387333445.db2.gz JRYDPWRHBFWUJX-UHFFFAOYSA-N 1 2 223.320 1.611 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000515125398 387338207 /nfs/dbraw/zinc/33/82/07/387338207.db2.gz VXGGHJKHHULLOK-NXEZZACHSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000515125398 387338212 /nfs/dbraw/zinc/33/82/12/387338212.db2.gz VXGGHJKHHULLOK-NXEZZACHSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000515125401 387339273 /nfs/dbraw/zinc/33/92/73/387339273.db2.gz VXGGHJKHHULLOK-ZJUUUORDSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000515125401 387339278 /nfs/dbraw/zinc/33/92/78/387339278.db2.gz VXGGHJKHHULLOK-ZJUUUORDSA-N 1 2 238.356 1.499 20 0 BDADLO Cn1c[nH+]cc1Cn1nnc(-c2ccccc2)n1 ZINC000360725521 387343164 /nfs/dbraw/zinc/34/31/64/387343164.db2.gz LIKINUYTOKWQAN-UHFFFAOYSA-N 1 2 240.270 1.122 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000336521778 387347367 /nfs/dbraw/zinc/34/73/67/387347367.db2.gz SSLPTWDMMFRUQR-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000336521778 387347372 /nfs/dbraw/zinc/34/73/72/387347372.db2.gz SSLPTWDMMFRUQR-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000121868997 387423448 /nfs/dbraw/zinc/42/34/48/387423448.db2.gz YVVBWNXOPDSVHI-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1nc(CN2CCC(c3c[nH]c[nH+]3)CC2)no1 ZINC000374199234 387429726 /nfs/dbraw/zinc/42/97/26/387429726.db2.gz YJBOYZXKQGRPNH-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO C[C@H]1C[N@H+](CCOC[C@@H]2CCCO2)CCC1=O ZINC000515874760 387435206 /nfs/dbraw/zinc/43/52/06/387435206.db2.gz NOPHUUFEVSIWHK-RYUDHWBXSA-N 1 2 241.331 1.093 20 0 BDADLO C[C@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CCC1=O ZINC000515874760 387435209 /nfs/dbraw/zinc/43/52/09/387435209.db2.gz NOPHUUFEVSIWHK-RYUDHWBXSA-N 1 2 241.331 1.093 20 0 BDADLO Cc1nc(N2CCOC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000374332883 387442052 /nfs/dbraw/zinc/44/20/52/387442052.db2.gz PEHTYFQBIBBUPF-VIFPVBQESA-N 1 2 235.331 1.875 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC000374343837 387444589 /nfs/dbraw/zinc/44/45/89/387444589.db2.gz ZKKSXEXRVWSHEM-LBPRGKRZSA-N 1 2 247.342 1.926 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000354895111 387444851 /nfs/dbraw/zinc/44/48/51/387444851.db2.gz PHUGPMVNNDOKBO-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336603672 387447610 /nfs/dbraw/zinc/44/76/10/387447610.db2.gz FYOICXFNBRNFQP-SECBINFHSA-N 1 2 244.298 1.334 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336603672 387447613 /nfs/dbraw/zinc/44/76/13/387447613.db2.gz FYOICXFNBRNFQP-SECBINFHSA-N 1 2 244.298 1.334 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000374381279 387448189 /nfs/dbraw/zinc/44/81/89/387448189.db2.gz SMLFZGKJLDEZFF-SECBINFHSA-N 1 2 246.270 1.038 20 0 BDADLO Cc1cc(C)cc(C[N@@H+](C)Cc2nnnn2C)c1 ZINC000354993093 387462091 /nfs/dbraw/zinc/46/20/91/387462091.db2.gz NVNMIYFLFSIODP-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1cc(C)cc(C[N@H+](C)Cc2nnnn2C)c1 ZINC000354993093 387462094 /nfs/dbraw/zinc/46/20/94/387462094.db2.gz NVNMIYFLFSIODP-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO C/C=C/C=C/C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374384596 387448337 /nfs/dbraw/zinc/44/83/37/387448337.db2.gz JCXJSFKLIPCWHP-KVOZUEDISA-N 1 2 245.326 1.868 20 0 BDADLO COc1ccc(CNc2cc[nH+]c(C)n2)cc1F ZINC000361150174 387405960 /nfs/dbraw/zinc/40/59/60/387405960.db2.gz OODMWVWVPWOQQW-UHFFFAOYSA-N 1 2 247.273 1.967 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000355190610 387494036 /nfs/dbraw/zinc/49/40/36/387494036.db2.gz AHCVKTKNOFPOSY-LLVKDONJSA-N 1 2 222.288 1.162 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000355190610 387494041 /nfs/dbraw/zinc/49/40/41/387494041.db2.gz AHCVKTKNOFPOSY-LLVKDONJSA-N 1 2 222.288 1.162 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000572459175 387500913 /nfs/dbraw/zinc/50/09/13/387500913.db2.gz QVHRZZZHQLHKLY-RKDXNWHRSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000572459175 387500917 /nfs/dbraw/zinc/50/09/17/387500917.db2.gz QVHRZZZHQLHKLY-RKDXNWHRSA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000374979522 387503043 /nfs/dbraw/zinc/50/30/43/387503043.db2.gz MAFOSMOADHFCMG-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000374979522 387503049 /nfs/dbraw/zinc/50/30/49/387503049.db2.gz MAFOSMOADHFCMG-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO Cc1nnc(C[N@H+]2CCOCC[C@H]2C)s1 ZINC000374991360 387503903 /nfs/dbraw/zinc/50/39/03/387503903.db2.gz XKWSGFDRWRGAFH-MRVPVSSYSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@@H+]2CCOCC[C@H]2C)s1 ZINC000374991360 387503907 /nfs/dbraw/zinc/50/39/07/387503907.db2.gz XKWSGFDRWRGAFH-MRVPVSSYSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnccn2)nc1 ZINC000352814670 387508144 /nfs/dbraw/zinc/50/81/44/387508144.db2.gz HUJYKEXKJVAYJW-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnccn2)nc1 ZINC000352814670 387508146 /nfs/dbraw/zinc/50/81/46/387508146.db2.gz HUJYKEXKJVAYJW-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000361629932 387512764 /nfs/dbraw/zinc/51/27/64/387512764.db2.gz LUIAUIKGRZNTDJ-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000361629932 387512766 /nfs/dbraw/zinc/51/27/66/387512766.db2.gz LUIAUIKGRZNTDJ-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cccnc1 ZINC000361642675 387513982 /nfs/dbraw/zinc/51/39/82/387513982.db2.gz JYTDVVHJKQYGMY-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cccnc1 ZINC000361642675 387513985 /nfs/dbraw/zinc/51/39/85/387513985.db2.gz JYTDVVHJKQYGMY-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO CCN1CCC[N@H+](CC2(F)CC2)CC1=O ZINC000527234675 387543849 /nfs/dbraw/zinc/54/38/49/387543849.db2.gz XXRTXMTVUYMWMJ-UHFFFAOYSA-N 1 2 214.284 1.043 20 0 BDADLO CCN1CCC[N@@H+](CC2(F)CC2)CC1=O ZINC000527234675 387543851 /nfs/dbraw/zinc/54/38/51/387543851.db2.gz XXRTXMTVUYMWMJ-UHFFFAOYSA-N 1 2 214.284 1.043 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CC[C@](C)(F)C2)cn1 ZINC000355363665 387525853 /nfs/dbraw/zinc/52/58/53/387525853.db2.gz KAFWXUVNUCHOPP-LBPRGKRZSA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CC[C@](C)(F)C2)cn1 ZINC000355363665 387525858 /nfs/dbraw/zinc/52/58/58/387525858.db2.gz KAFWXUVNUCHOPP-LBPRGKRZSA-N 1 2 238.310 1.477 20 0 BDADLO CCC(CC)(C[NH2+][C@H](C)C(=O)OC)C(=O)OC ZINC000192699834 387528957 /nfs/dbraw/zinc/52/89/57/387528957.db2.gz BKGXITWDQFNPNO-SECBINFHSA-N 1 2 245.319 1.117 20 0 BDADLO C[N@H+](CCc1ccccc1O)Cc1ncccn1 ZINC000361751439 387529126 /nfs/dbraw/zinc/52/91/26/387529126.db2.gz RDLHQQIIUBOZJZ-UHFFFAOYSA-N 1 2 243.310 1.857 20 0 BDADLO C[N@@H+](CCc1ccccc1O)Cc1ncccn1 ZINC000361751439 387529128 /nfs/dbraw/zinc/52/91/28/387529128.db2.gz RDLHQQIIUBOZJZ-UHFFFAOYSA-N 1 2 243.310 1.857 20 0 BDADLO C[C@@H]1SCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000648689877 387540747 /nfs/dbraw/zinc/54/07/47/387540747.db2.gz VYTURYIRKXFACR-VHSXEESVSA-N 1 2 239.344 1.283 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC1(C)C ZINC000516193031 387473046 /nfs/dbraw/zinc/47/30/46/387473046.db2.gz NPXTZXAMWRGMNS-ZJUUUORDSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC1(C)C ZINC000516193031 387473049 /nfs/dbraw/zinc/47/30/49/387473049.db2.gz NPXTZXAMWRGMNS-ZJUUUORDSA-N 1 2 235.331 1.751 20 0 BDADLO Cc1nc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)no1 ZINC000374650961 387477399 /nfs/dbraw/zinc/47/73/99/387477399.db2.gz ZCDGOBGELLJGNS-NWDGAFQWSA-N 1 2 237.303 1.425 20 0 BDADLO Cc1nc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)no1 ZINC000374650963 387477629 /nfs/dbraw/zinc/47/76/29/387477629.db2.gz ZCDGOBGELLJGNS-VXGBXAGGSA-N 1 2 237.303 1.425 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC1CCC1)CC2 ZINC000374666668 387477780 /nfs/dbraw/zinc/47/77/80/387477780.db2.gz VCMWEJLFRRRMTI-UHFFFAOYSA-N 1 2 234.303 1.269 20 0 BDADLO C[C@H]([C@H](C)NC(=O)C(C)(C)C)[NH+]1CCOCC1 ZINC000355099997 387479429 /nfs/dbraw/zinc/47/94/29/387479429.db2.gz AWRQAROUAGNWFK-WDEREUQCSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000361517722 387479821 /nfs/dbraw/zinc/47/98/21/387479821.db2.gz BOQRUDYCAYOTPV-MNOVXSKESA-N 1 2 219.300 1.472 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCOC[C@@H]1CCOC ZINC000361517722 387479825 /nfs/dbraw/zinc/47/98/25/387479825.db2.gz BOQRUDYCAYOTPV-MNOVXSKESA-N 1 2 219.300 1.472 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCN(C)C[C@H]2C)n1 ZINC000300412146 387484398 /nfs/dbraw/zinc/48/43/98/387484398.db2.gz LKWTZQJLJASNHB-LLVKDONJSA-N 1 2 235.331 1.232 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2C)n1 ZINC000300412146 387484401 /nfs/dbraw/zinc/48/44/01/387484401.db2.gz LKWTZQJLJASNHB-LLVKDONJSA-N 1 2 235.331 1.232 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336633206 387485785 /nfs/dbraw/zinc/48/57/85/387485785.db2.gz OMYRTJKMEWXFOI-VIFPVBQESA-N 1 2 249.236 1.385 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336633206 387485791 /nfs/dbraw/zinc/48/57/91/387485791.db2.gz OMYRTJKMEWXFOI-VIFPVBQESA-N 1 2 249.236 1.385 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC1CCCC1)CC2 ZINC000374762850 387490055 /nfs/dbraw/zinc/49/00/55/387490055.db2.gz DEWDLSQNVIEGLO-UHFFFAOYSA-N 1 2 248.330 1.659 20 0 BDADLO Cc1cc(C)nc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000355156188 387490838 /nfs/dbraw/zinc/49/08/38/387490838.db2.gz XPSALSHCHNKCIT-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1nc(C)c(NCc2[nH+]ccn2C)nc1C ZINC000396793984 387492358 /nfs/dbraw/zinc/49/23/58/387492358.db2.gz CPQWVCUFIKMALC-UHFFFAOYSA-N 1 2 231.303 1.747 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)C[C@H]2C)oc1C ZINC000375828413 387585382 /nfs/dbraw/zinc/58/53/82/387585382.db2.gz DZYUEBFTWIDABU-MRVPVSSYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)C[C@H]2C)oc1C ZINC000375828413 387585385 /nfs/dbraw/zinc/58/53/85/387585385.db2.gz DZYUEBFTWIDABU-MRVPVSSYSA-N 1 2 237.303 1.002 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCOCC[C@H]1C ZINC000362241311 387586666 /nfs/dbraw/zinc/58/66/66/387586666.db2.gz YNRKQRQAVYLIOM-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCOCC[C@H]1C ZINC000362241311 387586669 /nfs/dbraw/zinc/58/66/69/387586669.db2.gz YNRKQRQAVYLIOM-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CC(C)C(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000527509751 387587034 /nfs/dbraw/zinc/58/70/34/387587034.db2.gz CNMCGRDNDZFVLQ-UHFFFAOYSA-N 1 2 228.311 1.289 20 0 BDADLO O=C1C[N@@H+](CC2(F)CC2)[C@@H]2CCCC[C@H]2N1 ZINC000527511061 387590678 /nfs/dbraw/zinc/59/06/78/387590678.db2.gz SLCPQNCGDPUQSR-NXEZZACHSA-N 1 2 226.295 1.232 20 0 BDADLO O=C1C[N@H+](CC2(F)CC2)[C@@H]2CCCC[C@H]2N1 ZINC000527511061 387590681 /nfs/dbraw/zinc/59/06/81/387590681.db2.gz SLCPQNCGDPUQSR-NXEZZACHSA-N 1 2 226.295 1.232 20 0 BDADLO COC1(C)C[NH+](Cc2cnn(CC(C)C)c2)C1 ZINC000362323310 387596681 /nfs/dbraw/zinc/59/66/81/387596681.db2.gz NYVILOIPAMVQTE-UHFFFAOYSA-N 1 2 237.347 1.760 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1CC(C)(C)C1)CC2 ZINC000376051129 387602650 /nfs/dbraw/zinc/60/26/50/387602650.db2.gz TZYYMEBLGSPWOP-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO c1cn(C[C@H]2CCCC[N@@H+]2Cc2cnc[nH]2)nn1 ZINC000376021243 387602851 /nfs/dbraw/zinc/60/28/51/387602851.db2.gz KAXDQAWYTSUGSP-GFCCVEGCSA-N 1 2 246.318 1.056 20 0 BDADLO c1cn(C[C@H]2CCCC[N@H+]2Cc2cnc[nH]2)nn1 ZINC000376021243 387602855 /nfs/dbraw/zinc/60/28/55/387602855.db2.gz KAXDQAWYTSUGSP-GFCCVEGCSA-N 1 2 246.318 1.056 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cnnc3[C@H]2C)ccn1 ZINC000527538211 387605680 /nfs/dbraw/zinc/60/56/80/387605680.db2.gz JSWQUSVIVWLHKE-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cnnc3[C@H]2C)ccn1 ZINC000527538211 387605683 /nfs/dbraw/zinc/60/56/83/387605683.db2.gz JSWQUSVIVWLHKE-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)ccn1 ZINC000527538077 387607166 /nfs/dbraw/zinc/60/71/66/387607166.db2.gz BEWCVBYKXDJOPA-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)ccn1 ZINC000527538077 387607169 /nfs/dbraw/zinc/60/71/69/387607169.db2.gz BEWCVBYKXDJOPA-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)ccn1 ZINC000527539103 387608043 /nfs/dbraw/zinc/60/80/43/387608043.db2.gz ODWRXMQDANRDGU-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)ccn1 ZINC000527539103 387608047 /nfs/dbraw/zinc/60/80/47/387608047.db2.gz ODWRXMQDANRDGU-CHWSQXEVSA-N 1 2 233.359 1.914 20 0 BDADLO CCCCOC1CC[NH+](CC(=O)OC)CC1 ZINC000362456695 387614354 /nfs/dbraw/zinc/61/43/54/387614354.db2.gz WTYQAFIYNFXDQQ-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000122591742 387551801 /nfs/dbraw/zinc/55/18/01/387551801.db2.gz DURZNNJRYWNONX-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000122591742 387551804 /nfs/dbraw/zinc/55/18/04/387551804.db2.gz DURZNNJRYWNONX-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1cncc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000355583996 387554362 /nfs/dbraw/zinc/55/43/62/387554362.db2.gz YTTZBANVVLUCQM-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355659607 387563613 /nfs/dbraw/zinc/56/36/13/387563613.db2.gz RIBIRDXGCBJOJV-UHFFFAOYSA-N 1 2 214.228 1.617 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009629 387570363 /nfs/dbraw/zinc/57/03/63/387570363.db2.gz BTMZYGYVUYTUTO-CYBMUJFWSA-N 1 2 243.310 1.811 20 0 BDADLO CCCCOCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362090821 387571015 /nfs/dbraw/zinc/57/10/15/387571015.db2.gz PATFVBGJDKTEFA-ATCWAGBWSA-N 1 2 247.404 1.644 20 0 BDADLO CCCCOCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362090821 387571020 /nfs/dbraw/zinc/57/10/20/387571020.db2.gz PATFVBGJDKTEFA-ATCWAGBWSA-N 1 2 247.404 1.644 20 0 BDADLO C[N@H+](CCOCCO)Cc1c(F)cccc1F ZINC000282504055 387576004 /nfs/dbraw/zinc/57/60/04/387576004.db2.gz OBAZLGBOHJCMAG-UHFFFAOYSA-N 1 2 245.269 1.406 20 0 BDADLO C[N@@H+](CCOCCO)Cc1c(F)cccc1F ZINC000282504055 387576011 /nfs/dbraw/zinc/57/60/11/387576011.db2.gz OBAZLGBOHJCMAG-UHFFFAOYSA-N 1 2 245.269 1.406 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332867763 387576051 /nfs/dbraw/zinc/57/60/51/387576051.db2.gz DHVCPEBILFHTRT-OUAUKWLOSA-N 1 2 247.342 1.675 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332867763 387576056 /nfs/dbraw/zinc/57/60/56/387576056.db2.gz DHVCPEBILFHTRT-OUAUKWLOSA-N 1 2 247.342 1.675 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccnc(C)c2)[C@H](C)C1 ZINC000527536636 387631943 /nfs/dbraw/zinc/63/19/43/387631943.db2.gz WZIYFVDZKINSDP-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccnc(C)c2)[C@H](C)C1 ZINC000527536636 387631945 /nfs/dbraw/zinc/63/19/45/387631945.db2.gz WZIYFVDZKINSDP-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000527537356 387634305 /nfs/dbraw/zinc/63/43/05/387634305.db2.gz BHBFWEHRKNZEGI-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cc(C[N@H+]2CCc3n[nH]nc3C2)ccn1 ZINC000527537356 387634310 /nfs/dbraw/zinc/63/43/10/387634310.db2.gz BHBFWEHRKNZEGI-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CCC1(CC)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000362604543 387639370 /nfs/dbraw/zinc/63/93/70/387639370.db2.gz UXCIQLOHDNKAMP-UHFFFAOYSA-N 1 2 238.335 1.913 20 0 BDADLO C[C@@H]1[C@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000362673972 387648134 /nfs/dbraw/zinc/64/81/34/387648134.db2.gz YQONYOWPFJUHLD-KOLCDFICSA-N 1 2 233.315 1.561 20 0 BDADLO FC(F)CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376550226 387650464 /nfs/dbraw/zinc/65/04/64/387650464.db2.gz DAIATRBFEKTTFZ-SNVBAGLBSA-N 1 2 228.242 1.800 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000527644233 387651593 /nfs/dbraw/zinc/65/15/93/387651593.db2.gz OBZQJTYHNQAAPC-DRZSPHRISA-N 1 2 247.342 1.682 20 0 BDADLO CC[C@@H](NC(=O)c1ccon1)c1[nH]cc[nH+]1 ZINC000125318258 387652408 /nfs/dbraw/zinc/65/24/08/387652408.db2.gz YWWAWBWJYUDDCS-SSDOTTSWSA-N 1 2 220.232 1.279 20 0 BDADLO Cc1nc(N(C)C)nc(NC2(C)CCC2)[nH+]1 ZINC000309428289 387669325 /nfs/dbraw/zinc/66/93/25/387669325.db2.gz BBXHEHNUUKPBKQ-UHFFFAOYSA-N 1 2 221.308 1.601 20 0 BDADLO Cc1nc(NC2(C)CCC2)nc(N(C)C)[nH+]1 ZINC000309428289 387669328 /nfs/dbraw/zinc/66/93/28/387669328.db2.gz BBXHEHNUUKPBKQ-UHFFFAOYSA-N 1 2 221.308 1.601 20 0 BDADLO CC(=O)c1csc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000114337388 387675887 /nfs/dbraw/zinc/67/58/87/387675887.db2.gz VDLLLMXKLYLLAV-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(CC(F)F)CC1 ZINC000440709223 387677203 /nfs/dbraw/zinc/67/72/03/387677203.db2.gz BEQWTRAKQHNJRQ-SECBINFHSA-N 1 2 224.270 1.617 20 0 BDADLO C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCCOC1 ZINC000422794574 387696271 /nfs/dbraw/zinc/69/62/71/387696271.db2.gz ULNVVFOBTQZWNV-GFCCVEGCSA-N 1 2 235.287 1.249 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCOC[C@H]1C ZINC000126326573 387679178 /nfs/dbraw/zinc/67/91/78/387679178.db2.gz ISTSATPGMXZIIA-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCOC[C@H]1C ZINC000126326573 387679183 /nfs/dbraw/zinc/67/91/83/387679183.db2.gz ISTSATPGMXZIIA-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000440718198 387680904 /nfs/dbraw/zinc/68/09/04/387680904.db2.gz ZLASJIGZHKLGQE-VXGBXAGGSA-N 1 2 232.343 1.387 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000440718198 387680909 /nfs/dbraw/zinc/68/09/09/387680909.db2.gz ZLASJIGZHKLGQE-VXGBXAGGSA-N 1 2 232.343 1.387 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363014970 387686126 /nfs/dbraw/zinc/68/61/26/387686126.db2.gz RTDOEGHPEVBHFL-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363014970 387686131 /nfs/dbraw/zinc/68/61/31/387686131.db2.gz RTDOEGHPEVBHFL-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@@H](F)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000440770818 387690905 /nfs/dbraw/zinc/69/09/05/387690905.db2.gz LDQVBFKJGQMGMZ-RNFRBKRXSA-N 1 2 217.206 1.590 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000440770818 387690908 /nfs/dbraw/zinc/69/09/08/387690908.db2.gz LDQVBFKJGQMGMZ-RNFRBKRXSA-N 1 2 217.206 1.590 20 0 BDADLO Cc1nc(N2CC[C@@H](CC(N)=O)C2)c(C)c(C)[nH+]1 ZINC000377141615 387693279 /nfs/dbraw/zinc/69/32/79/387693279.db2.gz OUHWALVZEUHZQC-NSHDSACASA-N 1 2 248.330 1.104 20 0 BDADLO C[C@H]([NH2+]Cc1ccnn1C)c1ncccc1F ZINC000527826648 387744798 /nfs/dbraw/zinc/74/47/98/387744798.db2.gz PYOAGGDETVNHRX-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)c1)c1ncccc1F ZINC000527827079 387746193 /nfs/dbraw/zinc/74/61/93/387746193.db2.gz ZPTITWVWBBYWTQ-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](O)C(C)C)[nH+]1 ZINC000432067805 387749487 /nfs/dbraw/zinc/74/94/87/387749487.db2.gz SAIUHJSOJQDUPY-SNVBAGLBSA-N 1 2 234.303 1.117 20 0 BDADLO C[C@@H](F)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000356684910 387700550 /nfs/dbraw/zinc/70/05/50/387700550.db2.gz ANYKZWCYAHRPIX-MRVPVSSYSA-N 1 2 213.256 1.207 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2CCCC[C@H]21 ZINC000377350486 387710240 /nfs/dbraw/zinc/71/02/40/387710240.db2.gz MSDLJSSBAKRWFB-MWLCHTKSSA-N 1 2 243.314 1.742 20 0 BDADLO Cc1nc(N2CC[C@](O)(C3CC3)C2)c(C)c(C)[nH+]1 ZINC000377472280 387719201 /nfs/dbraw/zinc/71/92/01/387719201.db2.gz YJVIMPSLTWUWQD-CQSZACIVSA-N 1 2 247.342 1.753 20 0 BDADLO CC(C)=CC(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377436460 387719237 /nfs/dbraw/zinc/71/92/37/387719237.db2.gz NPZDYEFEIDTMIG-UHFFFAOYSA-N 1 2 243.270 1.567 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@H]2CCCCO2)no1 ZINC000377498842 387722582 /nfs/dbraw/zinc/72/25/82/387722582.db2.gz XQEDVMHBRCWWQS-MNOVXSKESA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@H]2CCCCO2)no1 ZINC000377498842 387722584 /nfs/dbraw/zinc/72/25/84/387722584.db2.gz XQEDVMHBRCWWQS-MNOVXSKESA-N 1 2 237.303 1.776 20 0 BDADLO CSCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000377500770 387722978 /nfs/dbraw/zinc/72/29/78/387722978.db2.gz UVDDPMKDMIBWOM-QMMMGPOBSA-N 1 2 213.306 1.570 20 0 BDADLO CSCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000377500770 387722984 /nfs/dbraw/zinc/72/29/84/387722984.db2.gz UVDDPMKDMIBWOM-QMMMGPOBSA-N 1 2 213.306 1.570 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000356802627 387724590 /nfs/dbraw/zinc/72/45/90/387724590.db2.gz QDWWMACZZZCWPF-MRVPVSSYSA-N 1 2 227.333 1.035 20 0 BDADLO CC(C)C(C)(C)S(=O)(=O)Cc1c[nH+]cn1C ZINC000431647234 387724575 /nfs/dbraw/zinc/72/45/75/387724575.db2.gz HQGDJOXANNABFI-UHFFFAOYSA-N 1 2 244.360 1.770 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000527803431 387725595 /nfs/dbraw/zinc/72/55/95/387725595.db2.gz FZGBKQILTBXVSR-CKEKPRIKSA-N 1 2 209.293 1.311 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000527803432 387725619 /nfs/dbraw/zinc/72/56/19/387725619.db2.gz FZGBKQILTBXVSR-LOKLDPHHSA-N 1 2 209.293 1.311 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000356822124 387726923 /nfs/dbraw/zinc/72/69/23/387726923.db2.gz LQKGZYARWAVZBW-VHSXEESVSA-N 1 2 207.277 1.318 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000356822124 387726924 /nfs/dbraw/zinc/72/69/24/387726924.db2.gz LQKGZYARWAVZBW-VHSXEESVSA-N 1 2 207.277 1.318 20 0 BDADLO C[C@H]([NH3+])CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000422789568 387731683 /nfs/dbraw/zinc/73/16/83/387731683.db2.gz UFGJIUKFYKYHOS-LURJTMIESA-N 1 2 244.241 1.138 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)no1 ZINC000377639160 387733018 /nfs/dbraw/zinc/73/30/18/387733018.db2.gz BLPZOTWRRFQRCP-GFCCVEGCSA-N 1 2 239.319 1.218 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)no1 ZINC000377639160 387733025 /nfs/dbraw/zinc/73/30/25/387733025.db2.gz BLPZOTWRRFQRCP-GFCCVEGCSA-N 1 2 239.319 1.218 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2OC[C@H]3CCC[C@@H]23)cc[nH+]1 ZINC000367668007 387740724 /nfs/dbraw/zinc/74/07/24/387740724.db2.gz GFHHZAMDNASMOZ-RAIGVLPGSA-N 1 2 246.310 1.566 20 0 BDADLO CCCN(CCC)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000422904267 387767744 /nfs/dbraw/zinc/76/77/44/387767744.db2.gz GPLDKWGSWKVCOO-JTQLQIEISA-N 1 2 241.360 1.792 20 0 BDADLO COc1ccc[nH+]c1NCCCc1cnn(C)c1 ZINC000527876420 387768370 /nfs/dbraw/zinc/76/83/70/387768370.db2.gz NQQQWKRBKJXWCV-UHFFFAOYSA-N 1 2 246.314 1.868 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1[nH+]cccc1OC ZINC000527891226 387775058 /nfs/dbraw/zinc/77/50/58/387775058.db2.gz GAISKVSUBIBDIN-NXEZZACHSA-N 1 2 224.304 1.909 20 0 BDADLO CCCOc1nccnc1N(C)Cc1[nH]cc[nH+]1 ZINC000527894698 387776741 /nfs/dbraw/zinc/77/67/41/387776741.db2.gz NKMGVCZYADBTEV-UHFFFAOYSA-N 1 2 247.302 1.625 20 0 BDADLO CN(C)c1ccc(NCc2ccnn2C)[nH+]c1 ZINC000150907372 387780960 /nfs/dbraw/zinc/78/09/60/387780960.db2.gz JBQVBIYMOACPCA-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO C[C@@H]1[C@H](C(=O)NCCn2cc[nH+]c2)[C@H]1C1CC1 ZINC000527947937 387782801 /nfs/dbraw/zinc/78/28/01/387782801.db2.gz YUSTYBOQDOJNMR-WCQGTBRESA-N 1 2 233.315 1.291 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2ccc(F)cn2)n1 ZINC000527921537 387789657 /nfs/dbraw/zinc/78/96/57/387789657.db2.gz NTHIIPYPTILKTI-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2[nH+]cccc2OC)C1 ZINC000527926611 387791583 /nfs/dbraw/zinc/79/15/83/387791583.db2.gz FEMFKBNKKSWJLE-SNVBAGLBSA-N 1 2 249.314 1.513 20 0 BDADLO C=Cn1cc(C[NH+]2CC3(C2)CCCO3)cn1 ZINC000628427738 387793443 /nfs/dbraw/zinc/79/34/43/387793443.db2.gz WYSUCBNPSLQCHJ-UHFFFAOYSA-N 1 2 219.288 1.348 20 0 BDADLO CC(C)c1nc(N[C@@H]2C(=O)NCC[C@@H]2C)cc[nH+]1 ZINC000193529245 387794204 /nfs/dbraw/zinc/79/42/04/387794204.db2.gz GKGBXCSMVFIKNJ-ONGXEEELSA-N 1 2 248.330 1.537 20 0 BDADLO COc1cccnc1N(C)CCCn1cc[nH+]c1 ZINC000527936052 387796687 /nfs/dbraw/zinc/79/66/87/387796687.db2.gz VXEITTSEVBTQJT-UHFFFAOYSA-N 1 2 246.314 1.813 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335701 387807226 /nfs/dbraw/zinc/80/72/26/387807226.db2.gz RIYNKTXQQYBIIK-UWVGGRQHSA-N 1 2 249.314 1.583 20 0 BDADLO Cc1ccc2[nH+]c(CN3CCO[C@@H]4C[C@@H]43)cn2c1 ZINC000367831931 387756924 /nfs/dbraw/zinc/75/69/24/387756924.db2.gz LQRWRTFCRJAIOT-QWHCGFSZSA-N 1 2 243.310 1.616 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC(C)(C)C)CC2 ZINC000367821378 387758097 /nfs/dbraw/zinc/75/80/97/387758097.db2.gz NFWKFUCRXMEZEV-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO Cn1ccnc1[C@H]([NH2+]CCO)c1cccc(F)c1 ZINC000356983124 387759958 /nfs/dbraw/zinc/75/99/58/387759958.db2.gz PSFZLJXXFNOKKN-GFCCVEGCSA-N 1 2 249.289 1.231 20 0 BDADLO CCc1ocnc1C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442805302 387843154 /nfs/dbraw/zinc/84/31/54/387843154.db2.gz ZYSPUWZOSPJWPL-MRVPVSSYSA-N 1 2 248.286 1.841 20 0 BDADLO CC[NH+](CC)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432941226 387845113 /nfs/dbraw/zinc/84/51/13/387845113.db2.gz UUPATQJLWGJQMT-UHFFFAOYSA-N 1 2 210.325 1.944 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccoc1Cl ZINC000236040695 387870951 /nfs/dbraw/zinc/87/09/51/387870951.db2.gz BFMIMLCKJONPRT-UHFFFAOYSA-N 1 2 225.635 1.586 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccoc1Cl ZINC000236040695 387870955 /nfs/dbraw/zinc/87/09/55/387870955.db2.gz BFMIMLCKJONPRT-UHFFFAOYSA-N 1 2 225.635 1.586 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000448693358 387875681 /nfs/dbraw/zinc/87/56/81/387875681.db2.gz BWQKYGXFPGKEFP-VXGBXAGGSA-N 1 2 235.331 1.682 20 0 BDADLO Cc1cnccc1CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000645861918 387883957 /nfs/dbraw/zinc/88/39/57/387883957.db2.gz DRMFGWISUTWVFD-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cnccc1CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000645861918 387883959 /nfs/dbraw/zinc/88/39/59/387883959.db2.gz DRMFGWISUTWVFD-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c[nH+]1 ZINC000265915632 387905207 /nfs/dbraw/zinc/90/52/07/387905207.db2.gz CKFCDWYEMGNPMF-JMJZKYOTSA-N 1 2 249.314 1.261 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000444710411 387915257 /nfs/dbraw/zinc/91/52/57/387915257.db2.gz SKQMTRLRVCJDHV-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000444710411 387915261 /nfs/dbraw/zinc/91/52/61/387915261.db2.gz SKQMTRLRVCJDHV-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cn1nncc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424208630 387929966 /nfs/dbraw/zinc/92/99/66/387929966.db2.gz YIBNVZMECBQRSO-QWHCGFSZSA-N 1 2 246.289 1.542 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000245549477 387959527 /nfs/dbraw/zinc/95/95/27/387959527.db2.gz ZGYIJLZLBTURLF-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000245549477 387959529 /nfs/dbraw/zinc/95/95/29/387959529.db2.gz ZGYIJLZLBTURLF-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427278 387971717 /nfs/dbraw/zinc/97/17/17/387971717.db2.gz AGXCSIXKJWAPMR-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427278 387971720 /nfs/dbraw/zinc/97/17/20/387971720.db2.gz AGXCSIXKJWAPMR-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000245545860 387957489 /nfs/dbraw/zinc/95/74/89/387957489.db2.gz UMZOBOMDZSTHOB-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000245545860 387957494 /nfs/dbraw/zinc/95/74/94/387957494.db2.gz UMZOBOMDZSTHOB-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO O=C1C[N@H+](CC2=CCCC2)CCN1C1CC1 ZINC000645811869 387973531 /nfs/dbraw/zinc/97/35/31/387973531.db2.gz SXWVXXQUFBUPCD-UHFFFAOYSA-N 1 2 220.316 1.403 20 0 BDADLO O=C1C[N@@H+](CC2=CCCC2)CCN1C1CC1 ZINC000645811869 387973536 /nfs/dbraw/zinc/97/35/36/387973536.db2.gz SXWVXXQUFBUPCD-UHFFFAOYSA-N 1 2 220.316 1.403 20 0 BDADLO Cc1oncc1C[N@@H+]1CCc2ncsc2C1 ZINC000445859988 387974519 /nfs/dbraw/zinc/97/45/19/387974519.db2.gz UOMOXDGHGDKCGU-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1oncc1C[N@H+]1CCc2ncsc2C1 ZINC000445859988 387974522 /nfs/dbraw/zinc/97/45/22/387974522.db2.gz UOMOXDGHGDKCGU-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446071278 387991711 /nfs/dbraw/zinc/99/17/11/387991711.db2.gz JCFQXWIAZZVFDK-SDDRHHMPSA-N 1 2 242.363 1.353 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446071278 387991716 /nfs/dbraw/zinc/99/17/16/387991716.db2.gz JCFQXWIAZZVFDK-SDDRHHMPSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446071866 387994999 /nfs/dbraw/zinc/99/49/99/387994999.db2.gz KQEQLKHYEYZLSG-AXFHLTTASA-N 1 2 228.336 1.009 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446071866 387995004 /nfs/dbraw/zinc/99/50/04/387995004.db2.gz KQEQLKHYEYZLSG-AXFHLTTASA-N 1 2 228.336 1.009 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446072454 387996008 /nfs/dbraw/zinc/99/60/08/387996008.db2.gz MMKHDCCFONSCSB-HBNTYKKESA-N 1 2 228.336 1.010 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446072454 387996014 /nfs/dbraw/zinc/99/60/14/387996014.db2.gz MMKHDCCFONSCSB-HBNTYKKESA-N 1 2 228.336 1.010 20 0 BDADLO CSCCC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000439471406 388000987 /nfs/dbraw/zinc/00/09/87/388000987.db2.gz PTNUBNNFNRIKRA-UHFFFAOYSA-N 1 2 240.376 1.867 20 0 BDADLO CSCCC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC000439471406 388000989 /nfs/dbraw/zinc/00/09/89/388000989.db2.gz PTNUBNNFNRIKRA-UHFFFAOYSA-N 1 2 240.376 1.867 20 0 BDADLO CCn1ccnc1[C@@H](C)NCC[NH+]1CCC1 ZINC000453166124 388001477 /nfs/dbraw/zinc/00/14/77/388001477.db2.gz HHJQWBJOANMUDN-LLVKDONJSA-N 1 2 222.336 1.259 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1CC1=CCCC1 ZINC000645889309 388004847 /nfs/dbraw/zinc/00/48/47/388004847.db2.gz CCJONUSBYPGDLN-SNVBAGLBSA-N 1 2 218.304 1.765 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1CC1=CCCC1 ZINC000645889309 388004850 /nfs/dbraw/zinc/00/48/50/388004850.db2.gz CCJONUSBYPGDLN-SNVBAGLBSA-N 1 2 218.304 1.765 20 0 BDADLO CC(C)n1cnnc1SCc1c[nH+]cn1C ZINC000439526710 388007855 /nfs/dbraw/zinc/00/78/55/388007855.db2.gz PBYNYCUWVJBLFV-UHFFFAOYSA-N 1 2 237.332 1.885 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc2occc2c1=O ZINC000439548244 388010010 /nfs/dbraw/zinc/01/00/10/388010010.db2.gz IIYJVXKLXGWXBW-UHFFFAOYSA-N 1 2 229.239 1.376 20 0 BDADLO CNC(=O)c1ccccc1NCc1c[nH+]cn1C ZINC000439619474 388011963 /nfs/dbraw/zinc/01/19/63/388011963.db2.gz GHNBYNWIBWOKSP-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO Cc1ccccc1C(=O)NCc1[nH+]ccn1C ZINC000082259718 388019191 /nfs/dbraw/zinc/01/91/91/388019191.db2.gz FMCPOMMGOUELFR-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO C/C=C/C=C/C(=O)NCc1ccc[nH+]c1N(C)C ZINC000046588806 388033939 /nfs/dbraw/zinc/03/39/39/388033939.db2.gz CUCUULXZAVDAJB-HSKKLARCSA-N 1 2 245.326 1.896 20 0 BDADLO COCC[C@@]1([NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000447093109 388053209 /nfs/dbraw/zinc/05/32/09/388053209.db2.gz GZPUKLJSIQFIEK-GFCCVEGCSA-N 1 2 239.319 1.003 20 0 BDADLO O=C(CCc1ccccn1)NCc1[nH]cc[nH+]1 ZINC000083601449 388056484 /nfs/dbraw/zinc/05/64/84/388056484.db2.gz NVGBPNRHYPLFSN-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(CCc1ccncc1)NCc1[nH]cc[nH+]1 ZINC000083601450 388056729 /nfs/dbraw/zinc/05/67/29/388056729.db2.gz HHGVLUZPVFUJJZ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO c1cn(CCNc2nc(C3CC3)ns2)c[nH+]1 ZINC000083654137 388057911 /nfs/dbraw/zinc/05/79/11/388057911.db2.gz ANWXCPUBQPKNCI-UHFFFAOYSA-N 1 2 235.316 1.724 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000440704268 388071910 /nfs/dbraw/zinc/07/19/10/388071910.db2.gz LIYIUXVGLVZFLL-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000440704268 388071914 /nfs/dbraw/zinc/07/19/14/388071914.db2.gz LIYIUXVGLVZFLL-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO CCc1cncc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000447508998 388074897 /nfs/dbraw/zinc/07/48/97/388074897.db2.gz DORZAQAHRNVDEA-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CCc1cncc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000447508998 388074899 /nfs/dbraw/zinc/07/48/99/388074899.db2.gz DORZAQAHRNVDEA-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO Cn1c[nH+]cc1CNc1nc2ccccn2n1 ZINC000195015376 388083808 /nfs/dbraw/zinc/08/38/08/388083808.db2.gz GKXCJLSIZZKVFS-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc2ccsc2c1=O ZINC000447782965 388092225 /nfs/dbraw/zinc/09/22/25/388092225.db2.gz KVTGXYZZHKXWHG-UHFFFAOYSA-N 1 2 245.307 1.845 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447828843 388095578 /nfs/dbraw/zinc/09/55/78/388095578.db2.gz FEWHSCDCKRYGPU-NXEZZACHSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447828843 388095581 /nfs/dbraw/zinc/09/55/81/388095581.db2.gz FEWHSCDCKRYGPU-NXEZZACHSA-N 1 2 229.320 1.295 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000447837083 388097233 /nfs/dbraw/zinc/09/72/33/388097233.db2.gz SIRWDTDDYLWHKZ-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000447837083 388097237 /nfs/dbraw/zinc/09/72/37/388097237.db2.gz SIRWDTDDYLWHKZ-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000447876360 388099555 /nfs/dbraw/zinc/09/95/55/388099555.db2.gz CYPUUSPGIKJZSQ-SNVBAGLBSA-N 1 2 222.336 1.918 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000447876360 388099556 /nfs/dbraw/zinc/09/95/56/388099556.db2.gz CYPUUSPGIKJZSQ-SNVBAGLBSA-N 1 2 222.336 1.918 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000170764825 388099856 /nfs/dbraw/zinc/09/98/56/388099856.db2.gz RFWBZQUUBMUZQW-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCCO[C@H](C)C2)o1 ZINC000170764825 388099860 /nfs/dbraw/zinc/09/98/60/388099860.db2.gz RFWBZQUUBMUZQW-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1cnc([C@H](C)[NH2+][C@@H](CO)[C@H]2CCCO2)o1 ZINC000447919324 388103507 /nfs/dbraw/zinc/10/35/07/388103507.db2.gz DSGJFZIPYYQOIC-GARJFASQSA-N 1 2 240.303 1.174 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000170819086 388107242 /nfs/dbraw/zinc/10/72/42/388107242.db2.gz YRTGNLQVGMZEFS-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000170819086 388107244 /nfs/dbraw/zinc/10/72/44/388107244.db2.gz YRTGNLQVGMZEFS-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(CC)C(=O)C1(C)C ZINC000440503826 388046793 /nfs/dbraw/zinc/04/67/93/388046793.db2.gz KPRVNYHLLWAZKP-SNVBAGLBSA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(CC)C(=O)C1(C)C ZINC000440503826 388046796 /nfs/dbraw/zinc/04/67/96/388046796.db2.gz KPRVNYHLLWAZKP-SNVBAGLBSA-N 1 2 230.327 1.677 20 0 BDADLO Cc1ccc(C[NH2+]C(CF)CF)nc1 ZINC000449379913 388188185 /nfs/dbraw/zinc/18/81/85/388188185.db2.gz KRZCTLLDQGSWDL-UHFFFAOYSA-N 1 2 200.232 1.787 20 0 BDADLO CC[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259494 388171289 /nfs/dbraw/zinc/17/12/89/388171289.db2.gz HQIJHIVVLHXRBI-MRVPVSSYSA-N 1 2 207.277 1.341 20 0 BDADLO CC[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259494 388171292 /nfs/dbraw/zinc/17/12/92/388171292.db2.gz HQIJHIVVLHXRBI-MRVPVSSYSA-N 1 2 207.277 1.341 20 0 BDADLO COc1nccnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000449315763 388171451 /nfs/dbraw/zinc/17/14/51/388171451.db2.gz JQXIWNWXZWUMSU-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000449315763 388171453 /nfs/dbraw/zinc/17/14/53/388171453.db2.gz JQXIWNWXZWUMSU-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO O=C([C@H]1CCCS1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259526 388171579 /nfs/dbraw/zinc/17/15/79/388171579.db2.gz JUWFLTPPNTZWEP-SNVBAGLBSA-N 1 2 237.328 1.190 20 0 BDADLO O=C([C@H]1CCCS1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259526 388171581 /nfs/dbraw/zinc/17/15/81/388171581.db2.gz JUWFLTPPNTZWEP-SNVBAGLBSA-N 1 2 237.328 1.190 20 0 BDADLO O=C(C1CC=CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646257673 388172058 /nfs/dbraw/zinc/17/20/58/388172058.db2.gz BDJRFVUPJZQPOR-UHFFFAOYSA-N 1 2 217.272 1.261 20 0 BDADLO O=C(C1CC=CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646257673 388172060 /nfs/dbraw/zinc/17/20/60/388172060.db2.gz BDJRFVUPJZQPOR-UHFFFAOYSA-N 1 2 217.272 1.261 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000488447444 388179554 /nfs/dbraw/zinc/17/95/54/388179554.db2.gz WFMITUOKYQLCJW-MRVPVSSYSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1ncnn1CC(F)F ZINC000488447444 388179556 /nfs/dbraw/zinc/17/95/56/388179556.db2.gz WFMITUOKYQLCJW-MRVPVSSYSA-N 1 2 230.262 1.528 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)C(F)F ZINC000449364950 388182878 /nfs/dbraw/zinc/18/28/78/388182878.db2.gz ULKYOBBQJHANHM-UWVGGRQHSA-N 1 2 236.306 1.340 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000454521429 388121798 /nfs/dbraw/zinc/12/17/98/388121798.db2.gz FIQYUJOARGIFOP-ZJUUUORDSA-N 1 2 236.319 1.265 20 0 BDADLO Cc1cc(C)c(CNC(=O)NCC(F)F)c[nH+]1 ZINC000454587891 388124062 /nfs/dbraw/zinc/12/40/62/388124062.db2.gz IFULKUSBBVVBCX-UHFFFAOYSA-N 1 2 243.257 1.763 20 0 BDADLO CC(C)C[N@H+](CC(N)=O)Cc1ccncc1F ZINC000449014586 388129415 /nfs/dbraw/zinc/12/94/15/388129415.db2.gz QFLZLSJHPVRPBT-UHFFFAOYSA-N 1 2 239.294 1.164 20 0 BDADLO CC(C)C[N@@H+](CC(N)=O)Cc1ccncc1F ZINC000449014586 388129417 /nfs/dbraw/zinc/12/94/17/388129417.db2.gz QFLZLSJHPVRPBT-UHFFFAOYSA-N 1 2 239.294 1.164 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnc(OC)n1 ZINC000449017396 388131045 /nfs/dbraw/zinc/13/10/45/388131045.db2.gz PKYBXWUXUBBCAL-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnc(OC)n1 ZINC000449017396 388131048 /nfs/dbraw/zinc/13/10/48/388131048.db2.gz PKYBXWUXUBBCAL-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccncc1F ZINC000449037392 388134320 /nfs/dbraw/zinc/13/43/20/388134320.db2.gz MWEWFKPLPXPJIN-UHFFFAOYSA-N 1 2 239.294 1.307 20 0 BDADLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccncc1F ZINC000449037392 388134322 /nfs/dbraw/zinc/13/43/22/388134322.db2.gz MWEWFKPLPXPJIN-UHFFFAOYSA-N 1 2 239.294 1.307 20 0 BDADLO OCC[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1F ZINC000646070449 388136871 /nfs/dbraw/zinc/13/68/71/388136871.db2.gz WAFGBUNQRRJQSE-ZDUSSCGKSA-N 1 2 249.289 1.762 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cn[nH]c1 ZINC000646087734 388139492 /nfs/dbraw/zinc/13/94/92/388139492.db2.gz ZOCNKZDKYXTLNX-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000646087734 388139494 /nfs/dbraw/zinc/13/94/94/388139494.db2.gz ZOCNKZDKYXTLNX-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO Cc1c[nH+]ccc1CCN1CN(C)C(=O)[C@H]1C ZINC000646127507 388149602 /nfs/dbraw/zinc/14/96/02/388149602.db2.gz MOBILJBDRIFGHB-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC[C@@H]2C2CCC2)[nH]1 ZINC000646138339 388153636 /nfs/dbraw/zinc/15/36/36/388153636.db2.gz CSVNKAQEVGKGNO-SNVBAGLBSA-N 1 2 236.319 1.665 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC[C@@H]2C2CCC2)[nH]1 ZINC000646138339 388153638 /nfs/dbraw/zinc/15/36/38/388153638.db2.gz CSVNKAQEVGKGNO-SNVBAGLBSA-N 1 2 236.319 1.665 20 0 BDADLO CC/C=C\CNC(=O)NCCNc1cccc[nH+]1 ZINC000455294543 388155190 /nfs/dbraw/zinc/15/51/90/388155190.db2.gz GNOTZJRFAUABLU-HYXAFXHYSA-N 1 2 248.330 1.759 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccoc1 ZINC000456348820 388196240 /nfs/dbraw/zinc/19/62/40/388196240.db2.gz INZUXXCEGANAPZ-SNVBAGLBSA-N 1 2 247.298 1.916 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccco1 ZINC000456365570 388197552 /nfs/dbraw/zinc/19/75/52/388197552.db2.gz ZBMMONQMDLCKPC-SECBINFHSA-N 1 2 233.271 1.987 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@H](C)C(C)(F)F)c[nH]1 ZINC000449417036 388199844 /nfs/dbraw/zinc/19/98/44/388199844.db2.gz WMQFACMPWBPHPK-SSDOTTSWSA-N 1 2 246.257 1.935 20 0 BDADLO CCn1c(C)nnc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489442403 388214431 /nfs/dbraw/zinc/21/44/31/388214431.db2.gz GYCMZMUGHDNGDG-SNVBAGLBSA-N 1 2 222.336 1.837 20 0 BDADLO CCn1c(C)nnc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489442403 388214432 /nfs/dbraw/zinc/21/44/32/388214432.db2.gz GYCMZMUGHDNGDG-SNVBAGLBSA-N 1 2 222.336 1.837 20 0 BDADLO COCc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000449519242 388222841 /nfs/dbraw/zinc/22/28/41/388222841.db2.gz BMJPFQCJFFAYLM-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO COCc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000449519242 388222844 /nfs/dbraw/zinc/22/28/44/388222844.db2.gz BMJPFQCJFFAYLM-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO CO[C@H](C(=O)NCc1c[nH+]c(C)cc1C)C1CC1 ZINC000456834649 388226674 /nfs/dbraw/zinc/22/66/74/388226674.db2.gz IDFGMBKSMVHUND-ZDUSSCGKSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1cc(C)c(CNC(=O)COC(F)F)c[nH+]1 ZINC000456852959 388228504 /nfs/dbraw/zinc/22/85/04/388228504.db2.gz XXJOCCNNSXSLHS-UHFFFAOYSA-N 1 2 244.241 1.554 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000489970373 388230044 /nfs/dbraw/zinc/23/00/44/388230044.db2.gz YETVDIXLCGYONH-DTORHVGOSA-N 1 2 235.335 1.338 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@H](C)C2)[nH+]1 ZINC000489970373 388230046 /nfs/dbraw/zinc/23/00/46/388230046.db2.gz YETVDIXLCGYONH-DTORHVGOSA-N 1 2 235.335 1.338 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449581696 388237699 /nfs/dbraw/zinc/23/76/99/388237699.db2.gz BMPQFLSFHFUSJG-GFCCVEGCSA-N 1 2 239.363 1.947 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000490427412 388238611 /nfs/dbraw/zinc/23/86/11/388238611.db2.gz RLGUCAJPKKAMSO-SECBINFHSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1occc1C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000490427412 388238613 /nfs/dbraw/zinc/23/86/13/388238613.db2.gz RLGUCAJPKKAMSO-SECBINFHSA-N 1 2 245.344 1.453 20 0 BDADLO COC1C[NH+](Cc2cc(C)ccc2F)C1 ZINC000459576599 388246430 /nfs/dbraw/zinc/24/64/30/388246430.db2.gz GMROWIHCEIETOO-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451601356 388283490 /nfs/dbraw/zinc/28/34/90/388283490.db2.gz GOYOLKCZYVNFQY-MNOVXSKESA-N 1 2 231.336 1.323 20 0 BDADLO COC(=O)C1([NH2+]CC=C(C)C)CCOCC1 ZINC000451760050 388293924 /nfs/dbraw/zinc/29/39/24/388293924.db2.gz UJSCWUHYAFTRPE-UHFFFAOYSA-N 1 2 227.304 1.264 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H](O)C(C)(C)C ZINC000451836766 388298846 /nfs/dbraw/zinc/29/88/46/388298846.db2.gz PUAYPWIJESZFIU-BDAKNGLRSA-N 1 2 239.306 1.341 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H](O)C(C)(C)C ZINC000451836766 388298848 /nfs/dbraw/zinc/29/88/48/388298848.db2.gz PUAYPWIJESZFIU-BDAKNGLRSA-N 1 2 239.306 1.341 20 0 BDADLO CC(C)OCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451830109 388298955 /nfs/dbraw/zinc/29/89/55/388298955.db2.gz HHXIODLSUDRJLD-SNVBAGLBSA-N 1 2 239.306 1.749 20 0 BDADLO CC(C)OCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451830109 388298956 /nfs/dbraw/zinc/29/89/56/388298956.db2.gz HHXIODLSUDRJLD-SNVBAGLBSA-N 1 2 239.306 1.749 20 0 BDADLO CCC[C@@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451839927 388299481 /nfs/dbraw/zinc/29/94/81/388299481.db2.gz SDRDUXZESJOZFO-DTWKUNHWSA-N 1 2 225.279 1.095 20 0 BDADLO CCC[C@@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451839927 388299482 /nfs/dbraw/zinc/29/94/82/388299482.db2.gz SDRDUXZESJOZFO-DTWKUNHWSA-N 1 2 225.279 1.095 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1c(F)cccc1F ZINC000163472031 388299701 /nfs/dbraw/zinc/29/97/01/388299701.db2.gz VOXWYONLUBQFHO-QMMMGPOBSA-N 1 2 215.243 1.777 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1c(F)cccc1F ZINC000163472031 388299702 /nfs/dbraw/zinc/29/97/02/388299702.db2.gz VOXWYONLUBQFHO-QMMMGPOBSA-N 1 2 215.243 1.777 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cnccn2)cc[nH+]1 ZINC000491847016 388324719 /nfs/dbraw/zinc/32/47/19/388324719.db2.gz PNUKADYKYCBQKD-IHWYPQMZSA-N 1 2 240.266 1.254 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\C1CC1 ZINC000492056710 388333150 /nfs/dbraw/zinc/33/31/50/388333150.db2.gz ITOIJAGVFIEYHZ-WAYWQWQTSA-N 1 2 219.288 1.345 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccsc1 ZINC000492295723 388340585 /nfs/dbraw/zinc/34/05/85/388340585.db2.gz DTUCQEVLBQNNSP-NSCUHMNNSA-N 1 2 247.323 1.811 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CCOC ZINC000492293586 388340720 /nfs/dbraw/zinc/34/07/20/388340720.db2.gz FZAVVYXZOBBMGJ-AATRIKPKSA-N 1 2 237.303 1.021 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1ncn(C)n1 ZINC000275783879 388345798 /nfs/dbraw/zinc/34/57/98/388345798.db2.gz IIYBDEYKNJCSFO-MRVPVSSYSA-N 1 2 203.249 1.383 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(CF)CCC1 ZINC000648780117 388346845 /nfs/dbraw/zinc/34/68/45/388346845.db2.gz URFLREZCUCZNSC-UHFFFAOYSA-N 1 2 211.240 1.166 20 0 BDADLO C[C@@H](O)C[C@@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000277690853 388354212 /nfs/dbraw/zinc/35/42/12/388354212.db2.gz FVIYEQCLODZXLH-RNFRBKRXSA-N 1 2 244.726 1.531 20 0 BDADLO C[C@@H](O)C[C@@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000277690853 388354213 /nfs/dbraw/zinc/35/42/13/388354213.db2.gz FVIYEQCLODZXLH-RNFRBKRXSA-N 1 2 244.726 1.531 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000277690849 388354356 /nfs/dbraw/zinc/35/43/56/388354356.db2.gz FVIYEQCLODZXLH-BQBZGAKWSA-N 1 2 244.726 1.531 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000277690849 388354359 /nfs/dbraw/zinc/35/43/59/388354359.db2.gz FVIYEQCLODZXLH-BQBZGAKWSA-N 1 2 244.726 1.531 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1snnc1C ZINC000572648698 388362707 /nfs/dbraw/zinc/36/27/07/388362707.db2.gz NQVVNVOURJOYRA-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1snnc1C ZINC000572648698 388362708 /nfs/dbraw/zinc/36/27/08/388362708.db2.gz NQVVNVOURJOYRA-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]2C(C)(C)O)no1 ZINC000305210454 388367531 /nfs/dbraw/zinc/36/75/31/388367531.db2.gz ZTSALMKKUQOKGW-VIFPVBQESA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]2C(C)(C)O)no1 ZINC000305210454 388367536 /nfs/dbraw/zinc/36/75/36/388367536.db2.gz ZTSALMKKUQOKGW-VIFPVBQESA-N 1 2 239.319 1.367 20 0 BDADLO C[C@H](CCCO)Nc1nc[nH+]c(N)c1Cl ZINC000235424371 388368509 /nfs/dbraw/zinc/36/85/09/388368509.db2.gz YFWGFGGFILBLLG-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO C[C@H](CCCO)Nc1[nH+]cnc(N)c1Cl ZINC000235424371 388368513 /nfs/dbraw/zinc/36/85/13/388368513.db2.gz YFWGFGGFILBLLG-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CCC(=O)C2)[nH+]1 ZINC000573008840 388405404 /nfs/dbraw/zinc/40/54/04/388405404.db2.gz CTVZGKJVXHYPMP-VIFPVBQESA-N 1 2 249.314 1.439 20 0 BDADLO COC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000227844765 388371926 /nfs/dbraw/zinc/37/19/26/388371926.db2.gz AVFSCYWXVYQMEF-UHFFFAOYSA-N 1 2 242.710 1.327 20 0 BDADLO COC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000227844765 388371928 /nfs/dbraw/zinc/37/19/28/388371928.db2.gz AVFSCYWXVYQMEF-UHFFFAOYSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(F)F ZINC000642659911 388373497 /nfs/dbraw/zinc/37/34/97/388373497.db2.gz GNEZJCINWKZVLU-SECBINFHSA-N 1 2 245.273 1.823 20 0 BDADLO Cn1c[nH+]cc1CSc1nccnc1N ZINC000236089729 388377649 /nfs/dbraw/zinc/37/76/49/388377649.db2.gz RTCLTIBHWYHBBG-UHFFFAOYSA-N 1 2 221.289 1.085 20 0 BDADLO Cc1ccc(NCc2cnn(C)n2)c(C)[nH+]1 ZINC000293349150 388387529 /nfs/dbraw/zinc/38/75/29/388387529.db2.gz SYIFOKOTOWEHQH-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1cnn(CCC(=O)Nc2ccc(N)[nH+]c2)c1 ZINC000237800751 388399276 /nfs/dbraw/zinc/39/92/76/388399276.db2.gz FZVQPLOOQAPDTP-UHFFFAOYSA-N 1 2 245.286 1.198 20 0 BDADLO c1nc(N2CCOCC2)cc(NC2CCCC2)[nH+]1 ZINC000242737014 388400678 /nfs/dbraw/zinc/40/06/78/388400678.db2.gz DEEPEQRGKQETPO-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(NC2CCCC2)cc(N2CCOCC2)[nH+]1 ZINC000242737014 388400680 /nfs/dbraw/zinc/40/06/80/388400680.db2.gz DEEPEQRGKQETPO-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\C1CCC1 ZINC000492080655 388334121 /nfs/dbraw/zinc/33/41/21/388334121.db2.gz DBJLVGMLAJECJH-GZTOBOFZSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@@H]([NH2+]CCF)c1nc(C(C)(C)C)no1 ZINC000330363546 388443392 /nfs/dbraw/zinc/44/33/92/388443392.db2.gz JJSKBWDFIFFONU-SSDOTTSWSA-N 1 2 215.272 1.987 20 0 BDADLO CC[N@H+](CCO)Cc1ncccc1Cl ZINC000528372007 388451850 /nfs/dbraw/zinc/45/18/50/388451850.db2.gz MOKNGFXKSFBMHP-UHFFFAOYSA-N 1 2 214.696 1.549 20 0 BDADLO CC[N@@H+](CCO)Cc1ncccc1Cl ZINC000528372007 388451853 /nfs/dbraw/zinc/45/18/53/388451853.db2.gz MOKNGFXKSFBMHP-UHFFFAOYSA-N 1 2 214.696 1.549 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000310336072 388480866 /nfs/dbraw/zinc/48/08/66/388480866.db2.gz CRRVWSUYRMKGBB-GRYCIOLGSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)ccc1O ZINC000336411480 388457480 /nfs/dbraw/zinc/45/74/80/388457480.db2.gz ZVWGNNUBBHUYHX-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N(CC1CC1)C1CCC1 ZINC000527280768 388457946 /nfs/dbraw/zinc/45/79/46/388457946.db2.gz JMSHNIDVSQNZHF-UHFFFAOYSA-N 1 2 247.342 1.754 20 0 BDADLO C[C@H](N(C)c1[nH+]cnc2c1cnn2C)C1(C)CC1 ZINC000176856295 388464124 /nfs/dbraw/zinc/46/41/24/388464124.db2.gz YZARMIMWFATOAC-VIFPVBQESA-N 1 2 245.330 1.988 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000068474655 388409931 /nfs/dbraw/zinc/40/99/31/388409931.db2.gz GZRTXVBPEFVWRX-DTWKUNHWSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000068474655 388409933 /nfs/dbraw/zinc/40/99/33/388409933.db2.gz GZRTXVBPEFVWRX-DTWKUNHWSA-N 1 2 239.319 1.938 20 0 BDADLO CC1(C)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000524821426 388411244 /nfs/dbraw/zinc/41/12/44/388411244.db2.gz RNXRKOOBWNPEJA-UHFFFAOYSA-N 1 2 243.310 1.888 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](CC(C)C)OC)C(C)C ZINC000573096124 388419530 /nfs/dbraw/zinc/41/95/30/388419530.db2.gz AZCLNEIJIUSWHD-RYUDHWBXSA-N 1 2 245.363 1.835 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000296302873 388421005 /nfs/dbraw/zinc/42/10/05/388421005.db2.gz MVJQVZOECMSOEZ-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000296302873 388421008 /nfs/dbraw/zinc/42/10/08/388421008.db2.gz MVJQVZOECMSOEZ-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(C)ns2)nn1 ZINC000404467305 388421276 /nfs/dbraw/zinc/42/12/76/388421276.db2.gz XBJXBSMOABDGRU-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H]2CCOC2)o1 ZINC000525273138 388423438 /nfs/dbraw/zinc/42/34/38/388423438.db2.gz FLBVWDYKLJUZJS-SECBINFHSA-N 1 2 210.277 1.458 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H]2CCOC2)o1 ZINC000525273138 388423441 /nfs/dbraw/zinc/42/34/41/388423441.db2.gz FLBVWDYKLJUZJS-SECBINFHSA-N 1 2 210.277 1.458 20 0 BDADLO CC[C@H](CSC)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193754496 388426743 /nfs/dbraw/zinc/42/67/43/388426743.db2.gz VEJGTUHYFSEAMU-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO CC[C@H](CSC)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193754496 388426745 /nfs/dbraw/zinc/42/67/45/388426745.db2.gz VEJGTUHYFSEAMU-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1ccco1 ZINC000025991122 388431241 /nfs/dbraw/zinc/43/12/41/388431241.db2.gz RDIALQJXODHAKS-UHFFFAOYSA-N 1 2 233.271 1.686 20 0 BDADLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000322559691 388438651 /nfs/dbraw/zinc/43/86/51/388438651.db2.gz FAUKPQGGMDVKEH-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000322559691 388438654 /nfs/dbraw/zinc/43/86/54/388438654.db2.gz FAUKPQGGMDVKEH-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000352707977 388538931 /nfs/dbraw/zinc/53/89/31/388538931.db2.gz ULVQSEBWLCASFP-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548492860 388544652 /nfs/dbraw/zinc/54/46/52/388544652.db2.gz QAKRMCOXFKIPGV-OCCSQVGLSA-N 1 2 249.358 1.761 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000548519572 388545599 /nfs/dbraw/zinc/54/55/99/388545599.db2.gz WEECHIFWTLSHPY-DGCLKSJQSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCCCO1 ZINC000517246013 388546051 /nfs/dbraw/zinc/54/60/51/388546051.db2.gz IOZNWKOOUCKCLC-LLVKDONJSA-N 1 2 221.304 1.496 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@@H]1C1CC1 ZINC000528567219 388546927 /nfs/dbraw/zinc/54/69/27/388546927.db2.gz GTQRJRCRMXOQRD-TVYUQYBPSA-N 1 2 245.326 1.559 20 0 BDADLO Cc1ccc(CC(=O)NCCc2c[nH+]cn2C)o1 ZINC000547804358 388484349 /nfs/dbraw/zinc/48/43/49/388484349.db2.gz RXGOZBHSIDYCHG-UHFFFAOYSA-N 1 2 247.298 1.223 20 0 BDADLO O=C(/C=C\c1cccnc1)NCCc1[nH]cc[nH+]1 ZINC000310592740 388486178 /nfs/dbraw/zinc/48/61/78/388486178.db2.gz ZACRDNLXXKTIEJ-ARJAWSKDSA-N 1 2 242.282 1.177 20 0 BDADLO CCC(CC)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000177750823 388489969 /nfs/dbraw/zinc/48/99/69/388489969.db2.gz ZWUAUSKYOVYSSY-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000341023165 388494440 /nfs/dbraw/zinc/49/44/40/388494440.db2.gz RYBDTACWICVYLF-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000341023165 388494443 /nfs/dbraw/zinc/49/44/43/388494443.db2.gz RYBDTACWICVYLF-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO COC(=O)[C@@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000178188005 388497208 /nfs/dbraw/zinc/49/72/08/388497208.db2.gz BYWBCMHLBQBFAJ-QMMMGPOBSA-N 1 2 236.271 1.528 20 0 BDADLO CC[C@]1(C)C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000135722368 388506187 /nfs/dbraw/zinc/50/61/87/388506187.db2.gz UDKSOOMTWYCGBS-CYBMUJFWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@]1(C)C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000135722368 388506189 /nfs/dbraw/zinc/50/61/89/388506189.db2.gz UDKSOOMTWYCGBS-CYBMUJFWSA-N 1 2 240.347 1.108 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)on1 ZINC000517387558 388549399 /nfs/dbraw/zinc/54/93/99/388549399.db2.gz KCGFPPXPUGSYEW-NSHDSACASA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)on1 ZINC000517387558 388549401 /nfs/dbraw/zinc/54/94/01/388549401.db2.gz KCGFPPXPUGSYEW-NSHDSACASA-N 1 2 238.287 1.080 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc(C2CC2)o1 ZINC000548097585 388511820 /nfs/dbraw/zinc/51/18/20/388511820.db2.gz CGZXXCCNOAVKBK-OCAPTIKFSA-N 1 2 207.277 1.930 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000548097585 388511823 /nfs/dbraw/zinc/51/18/23/388511823.db2.gz CGZXXCCNOAVKBK-OCAPTIKFSA-N 1 2 207.277 1.930 20 0 BDADLO CSCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346084195 388519233 /nfs/dbraw/zinc/51/92/33/388519233.db2.gz JNEMUANZVHIFLY-UHFFFAOYSA-N 1 2 227.333 1.511 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1CC(C)(C)C1 ZINC000528397094 388520124 /nfs/dbraw/zinc/52/01/24/388520124.db2.gz PXMJCZPKBIBCDF-UHFFFAOYSA-N 1 2 208.309 1.673 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1CC(C)(C)C1 ZINC000528397094 388520126 /nfs/dbraw/zinc/52/01/26/388520126.db2.gz PXMJCZPKBIBCDF-UHFFFAOYSA-N 1 2 208.309 1.673 20 0 BDADLO CNC(=O)N1CC[NH+](C/C=C(\C)Cl)CC1 ZINC000528426227 388523154 /nfs/dbraw/zinc/52/31/54/388523154.db2.gz ZHMMJRRQEQKBER-YCRREMRBSA-N 1 2 231.727 1.086 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccncc1 ZINC000136162685 388524454 /nfs/dbraw/zinc/52/44/54/388524454.db2.gz GPMCJGFKOQJHSE-ONEGZZNKSA-N 1 2 242.282 1.950 20 0 BDADLO CCCc1nc(C[N@H+](C)CCCCO)no1 ZINC000349946102 388529332 /nfs/dbraw/zinc/52/93/32/388529332.db2.gz OYOFSLOTEUYANL-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCc1nc(C[N@@H+](C)CCCCO)no1 ZINC000349946102 388529334 /nfs/dbraw/zinc/52/93/34/388529334.db2.gz OYOFSLOTEUYANL-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO C[N@H+](CCCCO)Cc1noc(C(C)(C)C)n1 ZINC000349923998 388529499 /nfs/dbraw/zinc/52/94/99/388529499.db2.gz ZEALKUKWEKKTQW-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO C[N@@H+](CCCCO)Cc1noc(C(C)(C)C)n1 ZINC000349923998 388529502 /nfs/dbraw/zinc/52/95/02/388529502.db2.gz ZEALKUKWEKKTQW-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CCN1CC[N@H+](C/C=C(\C)Cl)[C@@H](C)C1=O ZINC000528465282 388530156 /nfs/dbraw/zinc/53/01/56/388530156.db2.gz OTQAJVAHEKHSFA-CYNRKNSPSA-N 1 2 230.739 1.682 20 0 BDADLO CCN1CC[N@@H+](C/C=C(\C)Cl)[C@@H](C)C1=O ZINC000528465282 388530159 /nfs/dbraw/zinc/53/01/59/388530159.db2.gz OTQAJVAHEKHSFA-CYNRKNSPSA-N 1 2 230.739 1.682 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000528477310 388532554 /nfs/dbraw/zinc/53/25/54/388532554.db2.gz QECWGSYSZHWPCC-AHIGWWFJSA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000528477310 388532556 /nfs/dbraw/zinc/53/25/56/388532556.db2.gz QECWGSYSZHWPCC-AHIGWWFJSA-N 1 2 235.780 1.972 20 0 BDADLO CCc1nnc(C[N@H+](C)CCOCC2CC2)o1 ZINC000088600665 388533361 /nfs/dbraw/zinc/53/33/61/388533361.db2.gz BKVRMMDGIQBNGH-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCOCC2CC2)o1 ZINC000088600665 388533364 /nfs/dbraw/zinc/53/33/64/388533364.db2.gz BKVRMMDGIQBNGH-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351810931 388534111 /nfs/dbraw/zinc/53/41/11/388534111.db2.gz OHCRZNCSOQADPC-RKDXNWHRSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351810931 388534114 /nfs/dbraw/zinc/53/41/14/388534114.db2.gz OHCRZNCSOQADPC-RKDXNWHRSA-N 1 2 225.292 1.006 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548410647 388535624 /nfs/dbraw/zinc/53/56/24/388535624.db2.gz GGQLCTDEYPXZLB-BBBLOLIVSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000548410647 388535633 /nfs/dbraw/zinc/53/56/33/388535633.db2.gz GGQLCTDEYPXZLB-BBBLOLIVSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)[C@@H]1CCOC1 ZINC000521576237 388616978 /nfs/dbraw/zinc/61/69/78/388616978.db2.gz VYUKAPLDJLOYCJ-NXEZZACHSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)[C@@H]1CCOC1 ZINC000521576237 388616982 /nfs/dbraw/zinc/61/69/82/388616982.db2.gz VYUKAPLDJLOYCJ-NXEZZACHSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315576 388604119 /nfs/dbraw/zinc/60/41/19/388604119.db2.gz DJZWQFBFDQBXGJ-WDEREUQCSA-N 1 2 225.288 1.424 20 0 BDADLO C[C@H](O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315576 388604121 /nfs/dbraw/zinc/60/41/21/388604121.db2.gz DJZWQFBFDQBXGJ-WDEREUQCSA-N 1 2 225.288 1.424 20 0 BDADLO CC1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000521596198 388618098 /nfs/dbraw/zinc/61/80/98/388618098.db2.gz JMTHIXYXSIVMML-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO COCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCC1 ZINC000550714936 388613888 /nfs/dbraw/zinc/61/38/88/388613888.db2.gz HSVHGZICEMBYCQ-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO CCOC[C@H]1C[N@H+](C[C@@H](F)CC)CCO1 ZINC000528733005 388559590 /nfs/dbraw/zinc/55/95/90/388559590.db2.gz SAOMUHOAMAHUIS-WDEREUQCSA-N 1 2 219.300 1.472 20 0 BDADLO CCOC[C@H]1C[N@@H+](C[C@@H](F)CC)CCO1 ZINC000528733005 388559591 /nfs/dbraw/zinc/55/95/91/388559591.db2.gz SAOMUHOAMAHUIS-WDEREUQCSA-N 1 2 219.300 1.472 20 0 BDADLO Fc1cc2c(c(F)c1)[C@H]([NH2+]C1COC1)CO2 ZINC000367684246 388566412 /nfs/dbraw/zinc/56/64/12/388566412.db2.gz KJRGKVKPLYIGFE-SECBINFHSA-N 1 2 227.210 1.387 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nccc(N)n1 ZINC000528769696 388570167 /nfs/dbraw/zinc/57/01/67/388570167.db2.gz PILXOJRBTAUGDU-MRVPVSSYSA-N 1 2 242.273 1.509 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nccc(N)n1 ZINC000528769696 388570170 /nfs/dbraw/zinc/57/01/70/388570170.db2.gz PILXOJRBTAUGDU-MRVPVSSYSA-N 1 2 242.273 1.509 20 0 BDADLO Cc1noc(C[N@H+]2CCC(F)(F)C[C@@H]2C)n1 ZINC000528769453 388570224 /nfs/dbraw/zinc/57/02/24/388570224.db2.gz QINZNYUQSDMBFF-ZETCQYMHSA-N 1 2 231.246 1.998 20 0 BDADLO Cc1noc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)n1 ZINC000528769453 388570226 /nfs/dbraw/zinc/57/02/26/388570226.db2.gz QINZNYUQSDMBFF-ZETCQYMHSA-N 1 2 231.246 1.998 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)C[C@@H]2C)o1 ZINC000528771761 388570664 /nfs/dbraw/zinc/57/06/64/388570664.db2.gz YIYKWOOFYODUDA-ZETCQYMHSA-N 1 2 231.246 1.998 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)o1 ZINC000528771761 388570668 /nfs/dbraw/zinc/57/06/68/388570668.db2.gz YIYKWOOFYODUDA-ZETCQYMHSA-N 1 2 231.246 1.998 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccon2)n[nH]1 ZINC000528790208 388573190 /nfs/dbraw/zinc/57/31/90/388573190.db2.gz VJBMDCCUTOZPNS-NSHDSACASA-N 1 2 246.270 1.507 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccon2)n[nH]1 ZINC000528790208 388573193 /nfs/dbraw/zinc/57/31/93/388573193.db2.gz VJBMDCCUTOZPNS-NSHDSACASA-N 1 2 246.270 1.507 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cn(C(C)C)nn2)n1 ZINC000385059032 388573873 /nfs/dbraw/zinc/57/38/73/388573873.db2.gz FPOJHFGLSNJMOM-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO CCC[C@@H](OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000517682307 256830908 /nfs/dbraw/zinc/83/09/08/256830908.db2.gz CHRDDWZNDLWZAW-GFCCVEGCSA-N 1 2 236.315 1.874 20 0 BDADLO CCOCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000081561641 388583629 /nfs/dbraw/zinc/58/36/29/388583629.db2.gz QCIAMGBVAXRCNE-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000081561641 388583631 /nfs/dbraw/zinc/58/36/31/388583631.db2.gz QCIAMGBVAXRCNE-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125091440 388668145 /nfs/dbraw/zinc/66/81/45/388668145.db2.gz HOFJWYKZTDIWHX-AXFHLTTASA-N 1 2 234.299 1.297 20 0 BDADLO Cc1cc(F)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000521948759 388670384 /nfs/dbraw/zinc/67/03/84/388670384.db2.gz IVPNGYXSGZJWPL-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO CCCc1cc(-n2cc[nH+]c2)n2ncnc2n1 ZINC000064904998 388676789 /nfs/dbraw/zinc/67/67/89/388676789.db2.gz YBKYKSHCKSUUKR-UHFFFAOYSA-N 1 2 228.259 1.263 20 0 BDADLO c1nc([C@@H]2CCCC[N@@H+]2C[C@H]2CCOC2)n[nH]1 ZINC000108494308 388625870 /nfs/dbraw/zinc/62/58/70/388625870.db2.gz GTQDDTVZLDUAHM-MNOVXSKESA-N 1 2 236.319 1.368 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCOCC12CCCC2 ZINC000551660422 388635278 /nfs/dbraw/zinc/63/52/78/388635278.db2.gz XMAYSEBUGRRLCG-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ncccc1F ZINC000530232628 388637138 /nfs/dbraw/zinc/63/71/38/388637138.db2.gz ANJYXRBLRWKVMK-QMMMGPOBSA-N 1 2 248.261 1.364 20 0 BDADLO COC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405111035 388638073 /nfs/dbraw/zinc/63/80/73/388638073.db2.gz OEKDJUIOCRJCFC-UHFFFAOYSA-N 1 2 219.231 1.281 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1n[nH]cc1C1CC1 ZINC000648974724 388657151 /nfs/dbraw/zinc/65/71/51/388657151.db2.gz DIBDLKWBLOGSCG-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCCC1 ZINC000128207357 388741410 /nfs/dbraw/zinc/74/14/10/388741410.db2.gz DJGRCIODYQXMDT-NSHDSACASA-N 1 2 236.315 1.895 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000128207357 388741413 /nfs/dbraw/zinc/74/14/13/388741413.db2.gz DJGRCIODYQXMDT-NSHDSACASA-N 1 2 236.315 1.895 20 0 BDADLO CC(=O)N[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000193182069 388695611 /nfs/dbraw/zinc/69/56/11/388695611.db2.gz MTGNPIFYEAXQHD-SNVBAGLBSA-N 1 2 249.314 1.470 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000193401413 388703412 /nfs/dbraw/zinc/70/34/12/388703412.db2.gz YQOXJZIPFRBZDT-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000193401413 388703416 /nfs/dbraw/zinc/70/34/16/388703416.db2.gz YQOXJZIPFRBZDT-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000249062499 388707009 /nfs/dbraw/zinc/70/70/09/388707009.db2.gz QYLDMCSETTXAMG-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000249062499 388707013 /nfs/dbraw/zinc/70/70/13/388707013.db2.gz QYLDMCSETTXAMG-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCC[C@@](C)(O)C1 ZINC000161651585 388714888 /nfs/dbraw/zinc/71/48/88/388714888.db2.gz OSEWNOPVKLQXGW-CQSZACIVSA-N 1 2 245.326 1.925 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCC[C@](C)(O)C1 ZINC000161651468 388715197 /nfs/dbraw/zinc/71/51/97/388715197.db2.gz OSEWNOPVKLQXGW-AWEZNQCLSA-N 1 2 245.326 1.925 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)[nH]1 ZINC000249282384 388715337 /nfs/dbraw/zinc/71/53/37/388715337.db2.gz HBBYAJQOBUMALE-BDAKNGLRSA-N 1 2 240.376 1.693 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@@H](C)[C@H]2C)[nH]1 ZINC000249282384 388715339 /nfs/dbraw/zinc/71/53/39/388715339.db2.gz HBBYAJQOBUMALE-BDAKNGLRSA-N 1 2 240.376 1.693 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067226496 388731007 /nfs/dbraw/zinc/73/10/07/388731007.db2.gz HDCQBBUUZJXWND-GRYCIOLGSA-N 1 2 243.347 1.827 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067226496 388731010 /nfs/dbraw/zinc/73/10/10/388731010.db2.gz HDCQBBUUZJXWND-GRYCIOLGSA-N 1 2 243.347 1.827 20 0 BDADLO Cn1c2ccc(NCc3[nH]cc[nH+]3)cc2oc1=O ZINC000127840985 388732346 /nfs/dbraw/zinc/73/23/46/388732346.db2.gz LIEYWLVBNFNDHO-UHFFFAOYSA-N 1 2 244.254 1.467 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCn2cccn2)n1 ZINC000554065096 388797634 /nfs/dbraw/zinc/79/76/34/388797634.db2.gz DGARSFPDMUTGRT-VIFPVBQESA-N 1 2 235.291 1.268 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCn2cccn2)n1 ZINC000554065096 388797638 /nfs/dbraw/zinc/79/76/38/388797638.db2.gz DGARSFPDMUTGRT-VIFPVBQESA-N 1 2 235.291 1.268 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)s1 ZINC000540215714 388800738 /nfs/dbraw/zinc/80/07/38/388800738.db2.gz XXOKTNDBPXVIKU-WPRPVWTQSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)s1 ZINC000540215714 388800739 /nfs/dbraw/zinc/80/07/39/388800739.db2.gz XXOKTNDBPXVIKU-WPRPVWTQSA-N 1 2 241.360 1.439 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)c1cn[nH]c1 ZINC000229881556 388803418 /nfs/dbraw/zinc/80/34/18/388803418.db2.gz YLUFFSZNEUUQNM-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO Nc1[nH+]cnc(NCc2ccco2)c1Cl ZINC000227840287 388760269 /nfs/dbraw/zinc/76/02/69/388760269.db2.gz NCXXZYDCMDUSSH-UHFFFAOYSA-N 1 2 224.651 1.917 20 0 BDADLO Nc1nc[nH+]c(NCc2ccco2)c1Cl ZINC000227840287 388760272 /nfs/dbraw/zinc/76/02/72/388760272.db2.gz NCXXZYDCMDUSSH-UHFFFAOYSA-N 1 2 224.651 1.917 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000128726446 388788925 /nfs/dbraw/zinc/78/89/25/388788925.db2.gz HQRRIGVOJTVBSA-SECBINFHSA-N 1 2 209.293 1.361 20 0 BDADLO CC[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000555228203 388843337 /nfs/dbraw/zinc/84/33/37/388843337.db2.gz WWOXKNGZKAGHEV-QWRGUYRKSA-N 1 2 221.304 1.578 20 0 BDADLO CCc1cc(NCC[C@@H]2CCCOC2)nc[nH+]1 ZINC000624430752 388824152 /nfs/dbraw/zinc/82/41/52/388824152.db2.gz KZBCPJJTJZMLFK-NSHDSACASA-N 1 2 235.331 1.690 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)c1ccc(O)cc1 ZINC000129284289 388829680 /nfs/dbraw/zinc/82/96/80/388829680.db2.gz XDBFZACMMMBODQ-INIZCTEOSA-N 1 2 236.296 1.434 20 0 BDADLO COC(=O)C[N@H+](Cc1ncccc1O)C(C)C ZINC000554847949 388832962 /nfs/dbraw/zinc/83/29/62/388832962.db2.gz CWKCXVSPMDHQMX-UHFFFAOYSA-N 1 2 238.287 1.171 20 0 BDADLO COC(=O)C[N@@H+](Cc1ncccc1O)C(C)C ZINC000554847949 388832964 /nfs/dbraw/zinc/83/29/64/388832964.db2.gz CWKCXVSPMDHQMX-UHFFFAOYSA-N 1 2 238.287 1.171 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000555063891 388838845 /nfs/dbraw/zinc/83/88/45/388838845.db2.gz BYWUCIXKUGGDKS-OPRDCNLKSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000555063891 388838848 /nfs/dbraw/zinc/83/88/48/388838848.db2.gz BYWUCIXKUGGDKS-OPRDCNLKSA-N 1 2 233.315 1.429 20 0 BDADLO Cc1ncsc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523698497 388854035 /nfs/dbraw/zinc/85/40/35/388854035.db2.gz TXDGEDYFDJEQOS-UHFFFAOYSA-N 1 2 248.311 1.345 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)o1)[C@@H](C)CO ZINC000555666165 388859005 /nfs/dbraw/zinc/85/90/05/388859005.db2.gz OVASCCFBALDOQC-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)o1)[C@@H](C)CO ZINC000555666165 388859008 /nfs/dbraw/zinc/85/90/08/388859008.db2.gz OVASCCFBALDOQC-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)N(CC1CCC1)C(=O)Cc1c[nH+]cn1C ZINC000555972611 388863442 /nfs/dbraw/zinc/86/34/42/388863442.db2.gz PVFQXLGFKAMZPY-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C(C)C)n2)s1 ZINC000541868838 388870931 /nfs/dbraw/zinc/87/09/31/388870931.db2.gz VASXVDHKNSEREH-UHFFFAOYSA-N 1 2 249.343 1.794 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cscc1Cl ZINC000648764750 388845721 /nfs/dbraw/zinc/84/57/21/388845721.db2.gz RBHBSIAQHIYRKC-SECBINFHSA-N 1 2 244.747 1.851 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cscc1Cl ZINC000648764750 388845725 /nfs/dbraw/zinc/84/57/25/388845725.db2.gz RBHBSIAQHIYRKC-SECBINFHSA-N 1 2 244.747 1.851 20 0 BDADLO Cc1ccc(CC(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000564598901 388880046 /nfs/dbraw/zinc/88/00/46/388880046.db2.gz XCRDFPRTFLCOKJ-UHFFFAOYSA-N 1 2 245.282 1.369 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649169732 388887665 /nfs/dbraw/zinc/88/76/65/388887665.db2.gz VSWYPMUYJBLYFT-GARJFASQSA-N 1 2 219.288 1.188 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)no1 ZINC000564782433 388888248 /nfs/dbraw/zinc/88/82/48/388888248.db2.gz YGOCSRSZPHVRQY-GFCCVEGCSA-N 1 2 246.314 1.884 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCSC[C@@H]2C)on1 ZINC000565155971 388918481 /nfs/dbraw/zinc/91/84/81/388918481.db2.gz GURQTKKNUKAWKG-QMMMGPOBSA-N 1 2 240.328 1.815 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCSC[C@@H]2C)on1 ZINC000565155971 388918484 /nfs/dbraw/zinc/91/84/84/388918484.db2.gz GURQTKKNUKAWKG-QMMMGPOBSA-N 1 2 240.328 1.815 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000565186105 388922487 /nfs/dbraw/zinc/92/24/87/388922487.db2.gz PKZXZCPINRMYNU-UTUOFQBUSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000565186105 388922488 /nfs/dbraw/zinc/92/24/88/388922488.db2.gz PKZXZCPINRMYNU-UTUOFQBUSA-N 1 2 247.342 1.847 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565184243 388922964 /nfs/dbraw/zinc/92/29/64/388922964.db2.gz VGWVICBGKGGIMN-DTWKUNHWSA-N 1 2 237.303 1.072 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565184243 388922961 /nfs/dbraw/zinc/92/29/61/388922961.db2.gz VGWVICBGKGGIMN-DTWKUNHWSA-N 1 2 237.303 1.072 20 0 BDADLO CCN(C(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC000565235036 388929207 /nfs/dbraw/zinc/92/92/07/388929207.db2.gz JVCYXTFYBHYPTF-UHFFFAOYSA-N 1 2 238.335 1.403 20 0 BDADLO Cc1nnc(CNCc2[nH]c(C)c(C)[nH+]2)s1 ZINC000565239121 388930381 /nfs/dbraw/zinc/93/03/81/388930381.db2.gz UCPYEARBHSUFMW-UHFFFAOYSA-N 1 2 237.332 1.476 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2ccon2)[nH+]c1C ZINC000565239658 388930474 /nfs/dbraw/zinc/93/04/74/388930474.db2.gz XXXNWSPYJPRBFC-SECBINFHSA-N 1 2 220.276 1.865 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000290192256 388962644 /nfs/dbraw/zinc/96/26/44/388962644.db2.gz TUUBGVUUOPYYLZ-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1c[nH+]cn1C ZINC000565721688 388966436 /nfs/dbraw/zinc/96/64/36/388966436.db2.gz RZTLJSNAWYKVJZ-NSHDSACASA-N 1 2 239.319 1.351 20 0 BDADLO Cc1ncc(NC(=O)Cc2c[nH+]cn2C)s1 ZINC000565440173 388945522 /nfs/dbraw/zinc/94/55/22/388945522.db2.gz OBVZJIPUOMYJJC-UHFFFAOYSA-N 1 2 236.300 1.366 20 0 BDADLO O[C@H](C[NH2+]Cc1ncccc1F)C(F)(F)F ZINC000566114191 388989118 /nfs/dbraw/zinc/98/91/18/388989118.db2.gz CACRCHYTZUXSGO-MRVPVSSYSA-N 1 2 238.184 1.234 20 0 BDADLO Cc1nc(N2CCC(CO)CC2)c(C)c(C)[nH+]1 ZINC000301448989 132254028 /nfs/dbraw/zinc/25/40/28/132254028.db2.gz RSPOKWKVLTXRQX-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@H](O)C(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000270754819 389013865 /nfs/dbraw/zinc/01/38/65/389013865.db2.gz ZMVAQXFOOOIWFE-QMMMGPOBSA-N 1 2 221.304 1.925 20 0 BDADLO CO[C@](C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493296073 533328201 /nfs/dbraw/zinc/32/82/01/533328201.db2.gz QFTPRDGZAZERGK-URWSZGRFSA-N 1 2 249.314 1.354 20 0 BDADLO C1=CCC(Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000302879558 533479114 /nfs/dbraw/zinc/47/91/14/533479114.db2.gz HASNXZLYZHIFAG-UHFFFAOYSA-N 1 2 246.314 1.444 20 0 BDADLO C1=CCC(Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000302879558 533479120 /nfs/dbraw/zinc/47/91/20/533479120.db2.gz HASNXZLYZHIFAG-UHFFFAOYSA-N 1 2 246.314 1.444 20 0 BDADLO C[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1CO ZINC000493468637 533636711 /nfs/dbraw/zinc/63/67/11/533636711.db2.gz RDFMQNMNHFTFHB-DJVCXFJCSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1nc(N2CCc3n[nH]cc3C2)cc[nH+]1 ZINC000266201403 132185103 /nfs/dbraw/zinc/18/51/03/132185103.db2.gz DCSXDLDAPCZNQJ-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO Cc1nc(N2CC[S@](=O)[C@H](C)[C@H]2C)cc[nH+]1 ZINC000266287800 132185830 /nfs/dbraw/zinc/18/58/30/132185830.db2.gz VZPMIHNUAZOZSH-LGZSNQIQSA-N 1 2 239.344 1.131 20 0 BDADLO Cc1nc(N2CCC[C@@H](C3OCCO3)C2)cc[nH+]1 ZINC000266369327 132186081 /nfs/dbraw/zinc/18/60/81/132186081.db2.gz LNJFQTVPDVXNIC-LLVKDONJSA-N 1 2 249.314 1.374 20 0 BDADLO CN(C)C(=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000272925094 132201370 /nfs/dbraw/zinc/20/13/70/132201370.db2.gz KPXRVUFWNQLTPZ-UHFFFAOYSA-N 1 2 247.342 1.776 20 0 BDADLO O=C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000278201919 132207941 /nfs/dbraw/zinc/20/79/41/132207941.db2.gz FBPNMSHEPFPDPE-UHFFFAOYSA-N 1 2 217.272 1.523 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)CC2(CCOCC2)O1 ZINC000279543216 132209579 /nfs/dbraw/zinc/20/95/79/132209579.db2.gz SFUPSAZFOHQEOG-LBPRGKRZSA-N 1 2 248.326 1.856 20 0 BDADLO CO[C@@H]1CCN(c2cc[nH+]c(C)n2)[C@H](C)C1 ZINC000281693648 132211619 /nfs/dbraw/zinc/21/16/19/132211619.db2.gz SAEBXGQWTSMLKR-MWLCHTKSSA-N 1 2 221.304 1.789 20 0 BDADLO c1ccc(N2CCC3(CC2)OCCCO3)[nH+]c1 ZINC000292644994 132218917 /nfs/dbraw/zinc/21/89/17/132218917.db2.gz BHEWLEHFLINAMR-UHFFFAOYSA-N 1 2 234.299 1.815 20 0 BDADLO Cc1cc(N2CCOC3(CCOCC3)C2)nc[nH+]1 ZINC000133636836 132238523 /nfs/dbraw/zinc/23/85/23/132238523.db2.gz XYQRNHINRZFJNP-UHFFFAOYSA-N 1 2 249.314 1.171 20 0 BDADLO Cc1cc(N2CCC(=O)[C@@H](C)C2)nc[nH+]1 ZINC000302598817 132264652 /nfs/dbraw/zinc/26/46/52/132264652.db2.gz XYKCKGBYUKPPLH-QMMMGPOBSA-N 1 2 205.261 1.200 20 0 BDADLO CC[C@@H]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000359151263 132276107 /nfs/dbraw/zinc/27/61/07/132276107.db2.gz TYQQJJADWDVRKJ-LLVKDONJSA-N 1 2 249.362 1.872 20 0 BDADLO CC[C@@H]1CCCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000359151263 132276110 /nfs/dbraw/zinc/27/61/10/132276110.db2.gz TYQQJJADWDVRKJ-LLVKDONJSA-N 1 2 249.362 1.872 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623026 132278745 /nfs/dbraw/zinc/27/87/45/132278745.db2.gz VFKKPOGZIMAOEK-LBPRGKRZSA-N 1 2 248.326 1.370 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623026 132278747 /nfs/dbraw/zinc/27/87/47/132278747.db2.gz VFKKPOGZIMAOEK-LBPRGKRZSA-N 1 2 248.326 1.370 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2[C@H]2CCCO2)cc[nH+]1 ZINC000376260109 132289144 /nfs/dbraw/zinc/28/91/44/132289144.db2.gz KHBXEKONVNSFDU-VXGBXAGGSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1cc(N2CCCC[C@H]2C[C@H](C)O)nc[nH+]1 ZINC000310272399 132294480 /nfs/dbraw/zinc/29/44/80/132294480.db2.gz DPTPGMUVSJZMMZ-RYUDHWBXSA-N 1 2 235.331 1.915 20 0 BDADLO Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)ncn1 ZINC000333070475 132318851 /nfs/dbraw/zinc/31/88/51/132318851.db2.gz UXLGXQHRSQURGO-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO CCC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000048571579 132355519 /nfs/dbraw/zinc/35/55/19/132355519.db2.gz CESFTUQQXKWIMW-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO COC(=O)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000054937349 132365010 /nfs/dbraw/zinc/36/50/10/132365010.db2.gz KNKDQNHGNZQLGC-UHFFFAOYSA-N 1 2 235.287 1.174 20 0 BDADLO CO[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000174725694 132446215 /nfs/dbraw/zinc/44/62/15/132446215.db2.gz VVHZVAYWGFUGCD-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO C[C@@]1(F)CC[N@H+](CCOCC(F)(F)F)C1 ZINC000347339337 133821258 /nfs/dbraw/zinc/82/12/58/133821258.db2.gz FDUOFSGSEZJEQI-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000347339337 133821259 /nfs/dbraw/zinc/82/12/59/133821259.db2.gz FDUOFSGSEZJEQI-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2CCSCC2)o1 ZINC000335779154 133901668 /nfs/dbraw/zinc/90/16/68/133901668.db2.gz ORHMRUONDYEQHO-QMMMGPOBSA-N 1 2 227.333 1.742 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000335929099 134009780 /nfs/dbraw/zinc/00/97/80/134009780.db2.gz DBGCADZUJNWRLS-LLVKDONJSA-N 1 2 213.252 1.494 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000335929099 134009781 /nfs/dbraw/zinc/00/97/81/134009781.db2.gz DBGCADZUJNWRLS-LLVKDONJSA-N 1 2 213.252 1.494 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(F)c[nH]1 ZINC000335930694 134010645 /nfs/dbraw/zinc/01/06/45/134010645.db2.gz USZVHRJRWXMSQY-UHFFFAOYSA-N 1 2 235.218 1.810 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335934495 134012079 /nfs/dbraw/zinc/01/20/79/134012079.db2.gz BCSBKBCIEGZKEU-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO CC1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000335937451 134013294 /nfs/dbraw/zinc/01/32/94/134013294.db2.gz YJXSKLHNPFXDHO-YVNMAJEFSA-N 1 2 233.315 1.360 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](Cc1cc[nH]n1)CC2 ZINC000335941437 134017838 /nfs/dbraw/zinc/01/78/38/134017838.db2.gz SGOOVSLWKZHPPC-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](Cc1cc[nH]n1)CC2 ZINC000335941437 134017839 /nfs/dbraw/zinc/01/78/39/134017839.db2.gz SGOOVSLWKZHPPC-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO O=C1C[N@H+](Cc2cccc3cc[nH]c32)CCN1 ZINC000335943670 134018781 /nfs/dbraw/zinc/01/87/81/134018781.db2.gz GXJRGBLHYWIHBE-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3cc[nH]c32)CCN1 ZINC000335943670 134018782 /nfs/dbraw/zinc/01/87/82/134018782.db2.gz GXJRGBLHYWIHBE-UHFFFAOYSA-N 1 2 229.283 1.100 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)nc1 ZINC000335959176 134024143 /nfs/dbraw/zinc/02/41/43/134024143.db2.gz KETBTGIZQKKCLS-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)nc1 ZINC000335959176 134024144 /nfs/dbraw/zinc/02/41/44/134024144.db2.gz KETBTGIZQKKCLS-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO O=C(N[C@@H]1CCC[C@@H]1F)c1ccc2[nH+]ccn2c1 ZINC000335988481 134039526 /nfs/dbraw/zinc/03/95/26/134039526.db2.gz KPPFHARSTCDXCU-WDEREUQCSA-N 1 2 247.273 1.955 20 0 BDADLO Cn1cncc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000335997587 134042417 /nfs/dbraw/zinc/04/24/17/134042417.db2.gz LCOHELBQMXGDOL-LBPRGKRZSA-N 1 2 236.319 1.700 20 0 BDADLO Cn1cncc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000335997587 134042418 /nfs/dbraw/zinc/04/24/18/134042418.db2.gz LCOHELBQMXGDOL-LBPRGKRZSA-N 1 2 236.319 1.700 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000335997039 134042783 /nfs/dbraw/zinc/04/27/83/134042783.db2.gz GVMXGOOUSJZQQQ-NSHDSACASA-N 1 2 237.347 1.993 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000335997039 134042784 /nfs/dbraw/zinc/04/27/84/134042784.db2.gz GVMXGOOUSJZQQQ-NSHDSACASA-N 1 2 237.347 1.993 20 0 BDADLO Cc1ccnc(C[NH2+][C@H](CO)c2ccsc2)n1 ZINC000352032046 134044736 /nfs/dbraw/zinc/04/47/36/134044736.db2.gz IZGQOQDRGYEVCS-LLVKDONJSA-N 1 2 249.339 1.670 20 0 BDADLO CN(c1[nH]c2ccccc2[nH+]1)C1CC(O)C1 ZINC000336003342 134048159 /nfs/dbraw/zinc/04/81/59/134048159.db2.gz NJCFHCRZGBJRAM-UHFFFAOYSA-N 1 2 217.272 1.522 20 0 BDADLO O=C([C@@H]1CC12CCCC2)N1CCn2c[nH+]cc2C1 ZINC000336022317 134055797 /nfs/dbraw/zinc/05/57/97/134055797.db2.gz RSWNDEAZJWCLBL-LBPRGKRZSA-N 1 2 245.326 1.806 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022134 134055892 /nfs/dbraw/zinc/05/58/92/134055892.db2.gz AHSBAEPOFSHSKE-RKDXNWHRSA-N 1 2 236.319 1.365 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022134 134055893 /nfs/dbraw/zinc/05/58/93/134055893.db2.gz AHSBAEPOFSHSKE-RKDXNWHRSA-N 1 2 236.319 1.365 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336024938 134056950 /nfs/dbraw/zinc/05/69/50/134056950.db2.gz NKNNLJDRCVNGTJ-VHSXEESVSA-N 1 2 219.288 1.271 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000336053685 134075966 /nfs/dbraw/zinc/07/59/66/134075966.db2.gz CGYKXVHPXDTHBV-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cn1 ZINC000336053685 134075967 /nfs/dbraw/zinc/07/59/67/134075967.db2.gz CGYKXVHPXDTHBV-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO O[C@]1(C2CC2)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000336095078 134080244 /nfs/dbraw/zinc/08/02/44/134080244.db2.gz ATQAJODXOGFQFG-CQSZACIVSA-N 1 2 243.310 1.914 20 0 BDADLO CCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336101086 134083348 /nfs/dbraw/zinc/08/33/48/134083348.db2.gz PTIJIFSLKUFFTR-VIFPVBQESA-N 1 2 207.277 1.114 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1CC(C)(C)C1 ZINC000336135697 134095668 /nfs/dbraw/zinc/09/56/68/134095668.db2.gz NZVOMZWYRGBJEH-UHFFFAOYSA-N 1 2 235.331 1.815 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000336144794 134101898 /nfs/dbraw/zinc/10/18/98/134101898.db2.gz GDYMREBXQNSDFC-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCCNc1cccc[nH+]1 ZINC000352283243 134131811 /nfs/dbraw/zinc/13/18/11/134131811.db2.gz BZMAQJVDMONTSA-MNOVXSKESA-N 1 2 233.315 1.656 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@](C)(F)C2)nn1 ZINC000336215446 134136894 /nfs/dbraw/zinc/13/68/94/134136894.db2.gz NCRYXSWEUORSSA-SNVBAGLBSA-N 1 2 212.272 1.139 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@](C)(F)C2)nn1 ZINC000336215446 134136895 /nfs/dbraw/zinc/13/68/95/134136895.db2.gz NCRYXSWEUORSSA-SNVBAGLBSA-N 1 2 212.272 1.139 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000172740412 134269182 /nfs/dbraw/zinc/26/91/82/134269182.db2.gz KWCTZLZJGOKXQZ-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000172740412 134269183 /nfs/dbraw/zinc/26/91/83/134269183.db2.gz KWCTZLZJGOKXQZ-GFCCVEGCSA-N 1 2 241.331 1.441 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000172776523 134269337 /nfs/dbraw/zinc/26/93/37/134269337.db2.gz HUZMGPILVOQWGL-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000172776523 134269338 /nfs/dbraw/zinc/26/93/38/134269338.db2.gz HUZMGPILVOQWGL-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@H](C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000175197321 134285860 /nfs/dbraw/zinc/28/58/60/134285860.db2.gz KYBXMMGARVVBLS-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)C1CC1 ZINC000175245259 134286525 /nfs/dbraw/zinc/28/65/25/134286525.db2.gz ZKEGZYMRHRIWRL-SNVBAGLBSA-N 1 2 247.342 1.810 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc[nH]1 ZINC000178364112 134309093 /nfs/dbraw/zinc/30/90/93/134309093.db2.gz FTAKWDLUTDSUHR-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000178584981 134311794 /nfs/dbraw/zinc/31/17/94/134311794.db2.gz JZOVEPOFIQDJGH-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000178584981 134311795 /nfs/dbraw/zinc/31/17/95/134311795.db2.gz JZOVEPOFIQDJGH-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178816623 134315504 /nfs/dbraw/zinc/31/55/04/134315504.db2.gz GGDIBRVNLAUKEA-NEPJUHHUSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000179449841 134320603 /nfs/dbraw/zinc/32/06/03/134320603.db2.gz KPTNLWYLAMXLTR-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000179449830 134320869 /nfs/dbraw/zinc/32/08/69/134320869.db2.gz KPTNLWYLAMXLTR-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000179449830 134320870 /nfs/dbraw/zinc/32/08/70/134320870.db2.gz KPTNLWYLAMXLTR-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@@H]1O ZINC000221211190 134322688 /nfs/dbraw/zinc/32/26/88/134322688.db2.gz UTNTUZWBWQNEAF-MFKMUULPSA-N 1 2 245.326 1.780 20 0 BDADLO CCCn1cc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000179659496 134323004 /nfs/dbraw/zinc/32/30/04/134323004.db2.gz OXBKKPYZQSJXMW-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO CCCn1cc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000179659496 134323005 /nfs/dbraw/zinc/32/30/05/134323005.db2.gz OXBKKPYZQSJXMW-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO c1cn(CCCSc2nncn2C2CC2)c[nH+]1 ZINC000180434296 134327170 /nfs/dbraw/zinc/32/71/70/134327170.db2.gz PVUOUVGHZQGKQC-UHFFFAOYSA-N 1 2 249.343 1.992 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000222033886 134329335 /nfs/dbraw/zinc/32/93/35/134329335.db2.gz HDNSYMPTYHCVRQ-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](C)OC)CCCCCC1 ZINC000182390850 134345207 /nfs/dbraw/zinc/34/52/07/134345207.db2.gz GJQFXFKGONFJIX-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000182522932 134345604 /nfs/dbraw/zinc/34/56/04/134345604.db2.gz JJPRCFNETVZPGP-VHSXEESVSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000182522932 134345605 /nfs/dbraw/zinc/34/56/05/134345605.db2.gz JJPRCFNETVZPGP-VHSXEESVSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000182522882 134345738 /nfs/dbraw/zinc/34/57/38/134345738.db2.gz JJPRCFNETVZPGP-ZJUUUORDSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000182522882 134345739 /nfs/dbraw/zinc/34/57/39/134345739.db2.gz JJPRCFNETVZPGP-ZJUUUORDSA-N 1 2 239.319 1.836 20 0 BDADLO CCC[N@H+](C)Cc1ncnn1CC(C)C ZINC000182714257 134347948 /nfs/dbraw/zinc/34/79/48/134347948.db2.gz AHCCFJKWGWMTNN-UHFFFAOYSA-N 1 2 210.325 1.776 20 0 BDADLO CCC[N@@H+](C)Cc1ncnn1CC(C)C ZINC000182714257 134347949 /nfs/dbraw/zinc/34/79/49/134347949.db2.gz AHCCFJKWGWMTNN-UHFFFAOYSA-N 1 2 210.325 1.776 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CC1(C)C ZINC000226389227 134365292 /nfs/dbraw/zinc/36/52/92/134365292.db2.gz VBAFBMWTBSMIOW-MRVPVSSYSA-N 1 2 231.303 1.821 20 0 BDADLO CC(C)OC(=O)CSCCCn1cc[nH+]c1 ZINC000185557221 134381489 /nfs/dbraw/zinc/38/14/89/134381489.db2.gz UWUGMTQJEJNLMC-UHFFFAOYSA-N 1 2 242.344 1.958 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185558921 134381669 /nfs/dbraw/zinc/38/16/69/134381669.db2.gz RQBJQAURVUGQCC-JQWIXIFHSA-N 1 2 249.310 1.704 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000227770806 134393838 /nfs/dbraw/zinc/39/38/38/134393838.db2.gz YAYNTGDYHGOBOM-ZETCQYMHSA-N 1 2 225.210 1.480 20 0 BDADLO COC[C@@H]([NH2+]CC(=O)OC(C)(C)C)C1CC1 ZINC000151760353 134479459 /nfs/dbraw/zinc/47/94/59/134479459.db2.gz VMVXRKKIBCEOIS-SNVBAGLBSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc[nH+]1 ZINC000408240527 134532672 /nfs/dbraw/zinc/53/26/72/134532672.db2.gz NRQXMSDTNLMIHD-FBIMIBRVSA-N 1 2 246.314 1.206 20 0 BDADLO CC[C@H](NC(=O)C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000140691796 134792396 /nfs/dbraw/zinc/79/23/96/134792396.db2.gz QITAVZHFDKXSOA-UWVGGRQHSA-N 1 2 237.303 1.546 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC=CCC1 ZINC000070651459 135002582 /nfs/dbraw/zinc/00/25/82/135002582.db2.gz YQYIALPEAPSYOU-SECBINFHSA-N 1 2 205.261 1.382 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000248550202 135004036 /nfs/dbraw/zinc/00/40/36/135004036.db2.gz KGXXZTOLPCNNCY-UWVGGRQHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000248550202 135004038 /nfs/dbraw/zinc/00/40/38/135004038.db2.gz KGXXZTOLPCNNCY-UWVGGRQHSA-N 1 2 239.319 1.836 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248399903 135004671 /nfs/dbraw/zinc/00/46/71/135004671.db2.gz WOEMDVHTDWSJBC-WCBMZHEXSA-N 1 2 248.248 1.788 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248399903 135004673 /nfs/dbraw/zinc/00/46/73/135004673.db2.gz WOEMDVHTDWSJBC-WCBMZHEXSA-N 1 2 248.248 1.788 20 0 BDADLO Cc1csc([C@H](C)[NH2+]CC(=O)NC(C)C)n1 ZINC000070733585 135012153 /nfs/dbraw/zinc/01/21/53/135012153.db2.gz MOXFHONGDOSOFV-VIFPVBQESA-N 1 2 241.360 1.627 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000248618718 135017037 /nfs/dbraw/zinc/01/70/37/135017037.db2.gz XNLAMKVJWZGCMF-NXEZZACHSA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000248618718 135017039 /nfs/dbraw/zinc/01/70/39/135017039.db2.gz XNLAMKVJWZGCMF-NXEZZACHSA-N 1 2 239.319 1.694 20 0 BDADLO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cccc[nH+]1 ZINC000249555346 135041137 /nfs/dbraw/zinc/04/11/37/135041137.db2.gz LUZPPDIFTDOZDV-CXWACVEQSA-N 1 2 216.284 1.287 20 0 BDADLO c1cn(Cc2nc(Cc3ccccc3)no2)c[nH+]1 ZINC000076829852 135052006 /nfs/dbraw/zinc/05/20/06/135052006.db2.gz YSVUSOCEUQDKBT-UHFFFAOYSA-N 1 2 240.266 1.905 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000087234309 135114516 /nfs/dbraw/zinc/11/45/16/135114516.db2.gz GFDVQTDTFIESNC-LLVKDONJSA-N 1 2 209.293 1.377 20 0 BDADLO C[C@@H](NCc1[nH+]ccn1C)C(=O)OC(C)(C)C ZINC000078640776 135131546 /nfs/dbraw/zinc/13/15/46/135131546.db2.gz UIYLBSNYKYKGNJ-SECBINFHSA-N 1 2 239.319 1.240 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCCS1 ZINC000087681495 135164739 /nfs/dbraw/zinc/16/47/39/135164739.db2.gz LMPDHHMVHRYUGO-SECBINFHSA-N 1 2 239.344 1.654 20 0 BDADLO Nc1ncc(C[N@@H+]2CCOCC23CC3)s1 ZINC000261536338 135171239 /nfs/dbraw/zinc/17/12/39/135171239.db2.gz RHLBYVOGZNFTAC-UHFFFAOYSA-N 1 2 225.317 1.090 20 0 BDADLO Nc1ncc(C[N@H+]2CCOCC23CC3)s1 ZINC000261536338 135171240 /nfs/dbraw/zinc/17/12/40/135171240.db2.gz RHLBYVOGZNFTAC-UHFFFAOYSA-N 1 2 225.317 1.090 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000084081822 135181098 /nfs/dbraw/zinc/18/10/98/135181098.db2.gz MYTQETSRSBTMID-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000084081822 135181100 /nfs/dbraw/zinc/18/11/00/135181100.db2.gz MYTQETSRSBTMID-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000084081601 135181115 /nfs/dbraw/zinc/18/11/15/135181115.db2.gz UJDJSPBBPDSZSN-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000084081601 135181117 /nfs/dbraw/zinc/18/11/17/135181117.db2.gz UJDJSPBBPDSZSN-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc(O)c1 ZINC000084081363 135181565 /nfs/dbraw/zinc/18/15/65/135181565.db2.gz OELRNYWQBLGQNA-UHFFFAOYSA-N 1 2 217.228 1.045 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc(O)c1 ZINC000084081363 135181567 /nfs/dbraw/zinc/18/15/67/135181567.db2.gz OELRNYWQBLGQNA-UHFFFAOYSA-N 1 2 217.228 1.045 20 0 BDADLO O=C(CC1=CCCCC1)NCc1c[nH+]c[nH]1 ZINC000084081775 135182026 /nfs/dbraw/zinc/18/20/26/135182026.db2.gz QWUDBEVAYFYUPE-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO O=C(CC1=CCCCC1)NCc1c[nH]c[nH+]1 ZINC000084081775 135182027 /nfs/dbraw/zinc/18/20/27/135182027.db2.gz QWUDBEVAYFYUPE-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO C[C@@H]1CCC[C@@H](N(C)Cc2noc(C[NH3+])n2)C1 ZINC000261542808 135183330 /nfs/dbraw/zinc/18/33/30/135183330.db2.gz QBQYXGMTURFCKE-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO COCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000084227228 135193900 /nfs/dbraw/zinc/19/39/00/135193900.db2.gz HVYSKFNPHXXEGF-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO COCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000084227228 135193901 /nfs/dbraw/zinc/19/39/01/135193901.db2.gz HVYSKFNPHXXEGF-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1cc(NC(=O)c2cc[nH]n2)cc[nH+]1 ZINC000078892491 135250790 /nfs/dbraw/zinc/25/07/90/135250790.db2.gz LMSMALOCGFQADF-UHFFFAOYSA-N 1 2 202.217 1.365 20 0 BDADLO c1cn(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932038 135264075 /nfs/dbraw/zinc/26/40/75/135264075.db2.gz LREIKDXLGGILBN-KBPBESRZSA-N 1 2 248.374 1.347 20 0 BDADLO c1cn(C[C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932038 135264077 /nfs/dbraw/zinc/26/40/77/135264077.db2.gz LREIKDXLGGILBN-KBPBESRZSA-N 1 2 248.374 1.347 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366773490 135268215 /nfs/dbraw/zinc/26/82/15/135268215.db2.gz OJPLRRANVXLWKN-CMPLNLGQSA-N 1 2 247.342 1.834 20 0 BDADLO Nc1cccc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000262164230 135283219 /nfs/dbraw/zinc/28/32/19/135283219.db2.gz HEIOMOQVNKDSNM-UHFFFAOYSA-N 1 2 245.326 1.075 20 0 BDADLO Nc1cccc(C[N@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000262164230 135283221 /nfs/dbraw/zinc/28/32/21/135283221.db2.gz HEIOMOQVNKDSNM-UHFFFAOYSA-N 1 2 245.326 1.075 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nccn2C)n(C)n1 ZINC000342581781 135292136 /nfs/dbraw/zinc/29/21/36/135292136.db2.gz SBPMTECAPTXZLJ-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO COCc1cnc(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000342678895 135304541 /nfs/dbraw/zinc/30/45/41/135304541.db2.gz AIOYGEWALJRUSA-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@H+]2CCC[C@H](O)C2)s1 ZINC000342678895 135304543 /nfs/dbraw/zinc/30/45/43/135304543.db2.gz AIOYGEWALJRUSA-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@](C)(F)C2)cn1 ZINC000334165207 135322615 /nfs/dbraw/zinc/32/26/15/135322615.db2.gz ADURIVJHSFFXDR-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@](C)(F)C2)cn1 ZINC000334165207 135322617 /nfs/dbraw/zinc/32/26/17/135322617.db2.gz ADURIVJHSFFXDR-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO O=C(Nc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262949153 135324858 /nfs/dbraw/zinc/32/48/58/135324858.db2.gz JJRLKFQCDJZVKR-SECBINFHSA-N 1 2 226.226 1.622 20 0 BDADLO Cc1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263042900 135329173 /nfs/dbraw/zinc/32/91/73/135329173.db2.gz SYNZZBWCWWPJHU-SNVBAGLBSA-N 1 2 240.253 1.931 20 0 BDADLO Cc1cccc(C)c1C[N@@H+](C)Cc1nnnn1C ZINC000342911571 135334530 /nfs/dbraw/zinc/33/45/30/135334530.db2.gz NKUIROMTIXAZOK-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1cccc(C)c1C[N@H+](C)Cc1nnnn1C ZINC000342911571 135334531 /nfs/dbraw/zinc/33/45/31/135334531.db2.gz NKUIROMTIXAZOK-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263209070 135339305 /nfs/dbraw/zinc/33/93/05/135339305.db2.gz KBDSEOWOEJUJGH-VIFPVBQESA-N 1 2 232.274 1.242 20 0 BDADLO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ccccc2)no1 ZINC000263214334 135340458 /nfs/dbraw/zinc/34/04/58/135340458.db2.gz KPKVUSSXWNHILA-KOLCDFICSA-N 1 2 245.282 1.786 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263295423 135345369 /nfs/dbraw/zinc/34/53/69/135345369.db2.gz WEUBSPKWHJVOJI-MRVPVSSYSA-N 1 2 234.290 1.488 20 0 BDADLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC1 ZINC000334347577 135366627 /nfs/dbraw/zinc/36/66/27/135366627.db2.gz XPDIVOPRBCUBIC-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000334359559 135371753 /nfs/dbraw/zinc/37/17/53/135371753.db2.gz WJWOKRWBAOCGLE-MWLCHTKSSA-N 1 2 246.310 1.756 20 0 BDADLO C[C@H]1C[N@H+](CCC(F)(F)F)C[C@H](CO)O1 ZINC000299909019 135382035 /nfs/dbraw/zinc/38/20/35/135382035.db2.gz KFUGTJWNDMJVRZ-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](CCC(F)(F)F)C[C@H](CO)O1 ZINC000299909019 135382036 /nfs/dbraw/zinc/38/20/36/135382036.db2.gz KFUGTJWNDMJVRZ-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000164504093 135386600 /nfs/dbraw/zinc/38/66/00/135386600.db2.gz NQHLIRVGVZSAJY-VIFPVBQESA-N 1 2 209.293 1.505 20 0 BDADLO CCC(=O)CCCN1CC[NH+](CCOC)CC1 ZINC000347710256 136002814 /nfs/dbraw/zinc/00/28/14/136002814.db2.gz SHPKZDJKBJMSFX-UHFFFAOYSA-N 1 2 242.363 1.010 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000347688819 136005330 /nfs/dbraw/zinc/00/53/30/136005330.db2.gz RNJGFBRAZSKAFS-VIFPVBQESA-N 1 2 231.246 1.235 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000347688819 136005331 /nfs/dbraw/zinc/00/53/31/136005331.db2.gz RNJGFBRAZSKAFS-VIFPVBQESA-N 1 2 231.246 1.235 20 0 BDADLO CC(C)N1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)CC1=O ZINC000335294559 136005460 /nfs/dbraw/zinc/00/54/60/136005460.db2.gz WZFXUAMUJQYKIW-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)CC1=O ZINC000335294559 136005461 /nfs/dbraw/zinc/00/54/61/136005461.db2.gz WZFXUAMUJQYKIW-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NCC2(C)CC2)[nH+]1 ZINC000347873578 136016821 /nfs/dbraw/zinc/01/68/21/136016821.db2.gz JDEFQPRUBOWKPP-UHFFFAOYSA-N 1 2 249.362 1.695 20 0 BDADLO CC(C)c1nc(NCC2(C)CC2)nc(N(C)C)[nH+]1 ZINC000347873578 136016822 /nfs/dbraw/zinc/01/68/22/136016822.db2.gz JDEFQPRUBOWKPP-UHFFFAOYSA-N 1 2 249.362 1.695 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NC2CC(C)C2)[nH+]1 ZINC000347876543 136016914 /nfs/dbraw/zinc/01/69/14/136016914.db2.gz MYSRULJNFKBGLL-UHFFFAOYSA-N 1 2 249.362 1.693 20 0 BDADLO CC(C)c1nc(NC2CC(C)C2)nc(N(C)C)[nH+]1 ZINC000347876543 136016915 /nfs/dbraw/zinc/01/69/15/136016915.db2.gz MYSRULJNFKBGLL-UHFFFAOYSA-N 1 2 249.362 1.693 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)o1 ZINC000347962305 136017838 /nfs/dbraw/zinc/01/78/38/136017838.db2.gz DPEZZGFVCNLSQI-UWVGGRQHSA-N 1 2 249.318 1.568 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCOCC1CC1)C(=O)OC ZINC000347999709 136020385 /nfs/dbraw/zinc/02/03/85/136020385.db2.gz JKZAPOLFPCGKQM-PWSUYJOCSA-N 1 2 243.347 1.590 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@H]1C ZINC000335316989 136025249 /nfs/dbraw/zinc/02/52/49/136025249.db2.gz UZGJARZKGKVGSK-PSASIEDQSA-N 1 2 219.288 1.732 20 0 BDADLO O=C(NC1CCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335322250 136050109 /nfs/dbraw/zinc/05/01/09/136050109.db2.gz KNNZNKSASXIMPZ-SNVBAGLBSA-N 1 2 248.330 1.851 20 0 BDADLO CCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000335324891 136051228 /nfs/dbraw/zinc/05/12/28/136051228.db2.gz CQBGEVQDERGAMJ-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000335324891 136051229 /nfs/dbraw/zinc/05/12/29/136051229.db2.gz CQBGEVQDERGAMJ-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335331068 136053508 /nfs/dbraw/zinc/05/35/08/136053508.db2.gz UNYMNEZVSXGKAT-JTQLQIEISA-N 1 2 233.315 1.888 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335331068 136053509 /nfs/dbraw/zinc/05/35/09/136053509.db2.gz UNYMNEZVSXGKAT-JTQLQIEISA-N 1 2 233.315 1.888 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cc(C)n[nH]1 ZINC000348265598 136058108 /nfs/dbraw/zinc/05/81/08/136058108.db2.gz ACLVIWHAZLVCDJ-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CC[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)[C@H]1CCCO1 ZINC000348281307 136059853 /nfs/dbraw/zinc/05/98/53/136059853.db2.gz MLDRBXYWNVORPF-QJPTWQEYSA-N 1 2 241.331 1.485 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1CCCC1 ZINC000348240219 136062005 /nfs/dbraw/zinc/06/20/05/136062005.db2.gz KEKJGXYTJDNUAO-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO CCCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335342158 136064812 /nfs/dbraw/zinc/06/48/12/136064812.db2.gz JQISIKNLSLTLNI-SNVBAGLBSA-N 1 2 236.319 1.249 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@](O)(C(F)F)C2)s1 ZINC000335354318 136070671 /nfs/dbraw/zinc/07/06/71/136070671.db2.gz VJEGLILKAOYSEF-SNVBAGLBSA-N 1 2 248.298 1.653 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@](O)(C(F)F)C2)s1 ZINC000335354318 136070672 /nfs/dbraw/zinc/07/06/72/136070672.db2.gz VJEGLILKAOYSEF-SNVBAGLBSA-N 1 2 248.298 1.653 20 0 BDADLO CSC1(C[N@H+](CCO)CC(F)F)CC1 ZINC000348361583 136072473 /nfs/dbraw/zinc/07/24/73/136072473.db2.gz XJIXXWULIJVEEO-UHFFFAOYSA-N 1 2 225.304 1.441 20 0 BDADLO CSC1(C[N@@H+](CCO)CC(F)F)CC1 ZINC000348361583 136072474 /nfs/dbraw/zinc/07/24/74/136072474.db2.gz XJIXXWULIJVEEO-UHFFFAOYSA-N 1 2 225.304 1.441 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)Cc1ccco1 ZINC000348333997 136075543 /nfs/dbraw/zinc/07/55/43/136075543.db2.gz ZMOVKTHHKHEJQR-UHFFFAOYSA-N 1 2 246.266 1.542 20 0 BDADLO Cn1cc(Cl)c(C[NH+]2CCC(C)(O)CC2)n1 ZINC000335388348 136089856 /nfs/dbraw/zinc/08/98/56/136089856.db2.gz XGKZVVSXZLKVAJ-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000335397478 136093227 /nfs/dbraw/zinc/09/32/27/136093227.db2.gz YNNVLHMDUATYEJ-ZJUUUORDSA-N 1 2 235.287 1.111 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335546969 136096699 /nfs/dbraw/zinc/09/66/99/136096699.db2.gz AIUAVTBOMFLWNZ-LLVKDONJSA-N 1 2 249.358 1.950 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335546975 136096962 /nfs/dbraw/zinc/09/69/62/136096962.db2.gz AMNNTQPEDYDGDL-QWRGUYRKSA-N 1 2 247.342 1.608 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335548534 136097505 /nfs/dbraw/zinc/09/75/05/136097505.db2.gz OVLKXAKRXBZGOU-MRVPVSSYSA-N 1 2 243.257 1.169 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335550598 136097882 /nfs/dbraw/zinc/09/78/82/136097882.db2.gz ZUBQJVOWAVQZKN-MNOVXSKESA-N 1 2 233.315 1.314 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCCO1 ZINC000335556644 136099736 /nfs/dbraw/zinc/09/97/36/136099736.db2.gz AXMWXCVGJMTMPH-LLVKDONJSA-N 1 2 249.314 1.390 20 0 BDADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000335558095 136100361 /nfs/dbraw/zinc/10/03/61/136100361.db2.gz LKVPPRMEDXFMBZ-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccn2)CCN1C ZINC000335571484 136109905 /nfs/dbraw/zinc/10/99/05/136109905.db2.gz FIPSFVYSLZKRQH-VXGBXAGGSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccn2)CCN1C ZINC000335571484 136109906 /nfs/dbraw/zinc/10/99/06/136109906.db2.gz FIPSFVYSLZKRQH-VXGBXAGGSA-N 1 2 219.332 1.606 20 0 BDADLO Cc1nc(CC[NH2+][C@@]2(C)CCOC2=O)cs1 ZINC000289763497 397752951 /nfs/dbraw/zinc/75/29/51/397752951.db2.gz ZJAYVHXORBHMFM-NSHDSACASA-N 1 2 240.328 1.289 20 0 BDADLO C[C@H](C(N)=O)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156238793 397756901 /nfs/dbraw/zinc/75/69/01/397756901.db2.gz MNUHRKDHCRDDFK-MRVPVSSYSA-N 1 2 233.271 1.133 20 0 BDADLO C[C@H](C(N)=O)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156238793 397756906 /nfs/dbraw/zinc/75/69/06/397756906.db2.gz MNUHRKDHCRDDFK-MRVPVSSYSA-N 1 2 233.271 1.133 20 0 BDADLO Cc1nc(N(C)Cc2nccn2C)cc[nH+]1 ZINC000156899599 397760204 /nfs/dbraw/zinc/76/02/04/397760204.db2.gz AXCCWWTWAGBRHK-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO CO[C@H]([C@@H](C)[NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000388356416 397889795 /nfs/dbraw/zinc/88/97/95/397889795.db2.gz QVJRFUYPSPEYMC-BXKDBHETSA-N 1 2 223.320 1.621 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000119207873 397882939 /nfs/dbraw/zinc/88/29/39/397882939.db2.gz OMAPKYXWLYNYLP-DTWKUNHWSA-N 1 2 231.361 1.812 20 0 BDADLO CN(Cc1cccn1C)Cc1[nH+]ccn1C ZINC000266980072 397941604 /nfs/dbraw/zinc/94/16/04/397941604.db2.gz MFXQOEGWFZEZPQ-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057268 397966479 /nfs/dbraw/zinc/96/64/79/397966479.db2.gz BRKBGRUZBRQOPI-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594057268 397966484 /nfs/dbraw/zinc/96/64/84/397966484.db2.gz BRKBGRUZBRQOPI-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CCc1nsc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000382484226 397951426 /nfs/dbraw/zinc/95/14/26/397951426.db2.gz GHIHOLINUVEBPX-HTQZYQBOSA-N 1 2 226.349 1.204 20 0 BDADLO CC(C)c1nc(N[C@H]2CCC(=O)NC2)cc[nH+]1 ZINC000110411081 397902448 /nfs/dbraw/zinc/90/24/48/397902448.db2.gz YXTNIROSNHQVGL-VIFPVBQESA-N 1 2 234.303 1.291 20 0 BDADLO CC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)C)CCO1 ZINC000590662186 397909111 /nfs/dbraw/zinc/90/91/11/397909111.db2.gz AXVDQQCEXPQSJK-TUAOUCFPSA-N 1 2 243.347 1.874 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000360307871 397963390 /nfs/dbraw/zinc/96/33/90/397963390.db2.gz CBSJHKCXONSDRQ-NXEZZACHSA-N 1 2 221.304 1.771 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)[C@H]1CCOC1 ZINC000649521744 397915366 /nfs/dbraw/zinc/91/53/66/397915366.db2.gz AVWHHHFDYUXUAK-LBPRGKRZSA-N 1 2 221.304 1.050 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)[C@H]1CCOC1 ZINC000649521744 397915370 /nfs/dbraw/zinc/91/53/70/397915370.db2.gz AVWHHHFDYUXUAK-LBPRGKRZSA-N 1 2 221.304 1.050 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cc[nH]c1 ZINC000264586905 397921141 /nfs/dbraw/zinc/92/11/41/397921141.db2.gz NLVOAQATVIGIGX-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO C[C@H]1CC=C(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000455590632 397990435 /nfs/dbraw/zinc/99/04/35/397990435.db2.gz QQOZNLNZNOLDKE-JTQLQIEISA-N 1 2 233.315 1.815 20 0 BDADLO CC[C@H]1CCC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000388703399 397992792 /nfs/dbraw/zinc/99/27/92/397992792.db2.gz OKESGDCYWHWTFN-IUCAKERBSA-N 1 2 221.308 1.583 20 0 BDADLO CC[C@H]1CCC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000388703399 397992797 /nfs/dbraw/zinc/99/27/97/397992797.db2.gz OKESGDCYWHWTFN-IUCAKERBSA-N 1 2 221.308 1.583 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC2CC=CC2)c1 ZINC000596158643 397997801 /nfs/dbraw/zinc/99/78/01/397997801.db2.gz BHCGLXAJQBUVFL-UHFFFAOYSA-N 1 2 232.283 1.928 20 0 BDADLO COCc1cc[nH+]c(NCc2cnc(C)nc2)c1 ZINC000650244038 398006345 /nfs/dbraw/zinc/00/63/45/398006345.db2.gz ZWYDPKZAUOUZRW-UHFFFAOYSA-N 1 2 244.298 1.939 20 0 BDADLO CCc1cc[nH+]cc1NCc1ccn(C)n1 ZINC000650243447 398006643 /nfs/dbraw/zinc/00/66/43/398006643.db2.gz ZIZDSRMFIILNHR-UHFFFAOYSA-N 1 2 216.288 1.990 20 0 BDADLO CCOC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000383186688 398009715 /nfs/dbraw/zinc/00/97/15/398009715.db2.gz RDMRKFOQONBLGY-UHFFFAOYSA-N 1 2 221.300 1.400 20 0 BDADLO O[C@H](CC1CCCC1)C[N@@H+]1CCn2cncc2C1 ZINC000647938107 398047282 /nfs/dbraw/zinc/04/72/82/398047282.db2.gz LFXJMVBXMZKFGC-CQSZACIVSA-N 1 2 249.358 1.640 20 0 BDADLO O[C@H](CC1CCCC1)C[N@H+]1CCn2cncc2C1 ZINC000647938107 398047287 /nfs/dbraw/zinc/04/72/87/398047287.db2.gz LFXJMVBXMZKFGC-CQSZACIVSA-N 1 2 249.358 1.640 20 0 BDADLO O[C@H](CC1CCCC1)CN1CCn2c[nH+]cc2C1 ZINC000647938107 398047289 /nfs/dbraw/zinc/04/72/89/398047289.db2.gz LFXJMVBXMZKFGC-CQSZACIVSA-N 1 2 249.358 1.640 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC23CCCC3)[nH]1 ZINC000649657568 398024362 /nfs/dbraw/zinc/02/43/62/398024362.db2.gz DZDNMTLMYDFYKD-UHFFFAOYSA-N 1 2 208.265 1.029 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC23CCCC3)[nH]1 ZINC000649657568 398024364 /nfs/dbraw/zinc/02/43/64/398024364.db2.gz DZDNMTLMYDFYKD-UHFFFAOYSA-N 1 2 208.265 1.029 20 0 BDADLO COCc1noc(C[N@@H+]2CCC23CCCC3)n1 ZINC000649657822 398025968 /nfs/dbraw/zinc/02/59/68/398025968.db2.gz OFQWIHPAJRLRBK-UHFFFAOYSA-N 1 2 237.303 1.735 20 0 BDADLO COCc1noc(C[N@H+]2CCC23CCCC3)n1 ZINC000649657822 398025971 /nfs/dbraw/zinc/02/59/71/398025971.db2.gz OFQWIHPAJRLRBK-UHFFFAOYSA-N 1 2 237.303 1.735 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000140645857 398028128 /nfs/dbraw/zinc/02/81/28/398028128.db2.gz BOAXLTSVKRXKNF-VHSXEESVSA-N 1 2 237.303 1.546 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000649700737 398048685 /nfs/dbraw/zinc/04/86/85/398048685.db2.gz KZEPIMVFNKCRRU-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000649700737 398048690 /nfs/dbraw/zinc/04/86/90/398048690.db2.gz KZEPIMVFNKCRRU-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO OC1(C2CC[NH+](CC(F)F)CC2)CC1 ZINC000649670322 398031956 /nfs/dbraw/zinc/03/19/56/398031956.db2.gz HWWOQUDQUUVAED-UHFFFAOYSA-N 1 2 205.248 1.488 20 0 BDADLO Cc1[nH]c(C(=O)NCCCCCCO)c[nH+]1 ZINC000271781049 397974493 /nfs/dbraw/zinc/97/44/93/397974493.db2.gz DGZCYXMGNNYDMH-UHFFFAOYSA-N 1 2 225.292 1.001 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000649588765 397980029 /nfs/dbraw/zinc/98/00/29/397980029.db2.gz AANXCDIEQPFJCO-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000649588765 397980032 /nfs/dbraw/zinc/98/00/32/397980032.db2.gz AANXCDIEQPFJCO-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H]([NH2+]CCSCC(C)C)C(=O)OC ZINC000336726776 397982854 /nfs/dbraw/zinc/98/28/54/397982854.db2.gz HASCLUJQCDBAPG-JTQLQIEISA-N 1 2 233.377 1.917 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc[nH]n1 ZINC000649718262 398060428 /nfs/dbraw/zinc/06/04/28/398060428.db2.gz WMBKRZJKELRTEN-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc[nH]n1 ZINC000649718262 398060430 /nfs/dbraw/zinc/06/04/30/398060430.db2.gz WMBKRZJKELRTEN-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO COCc1nc(C[N@@H+]2[C@@H](C)CCC2(C)C)no1 ZINC000650287655 398064554 /nfs/dbraw/zinc/06/45/54/398064554.db2.gz KCZFEVVDFWLGAR-VIFPVBQESA-N 1 2 239.319 1.979 20 0 BDADLO COCc1nc(C[N@H+]2[C@@H](C)CCC2(C)C)no1 ZINC000650287655 398064557 /nfs/dbraw/zinc/06/45/57/398064557.db2.gz KCZFEVVDFWLGAR-VIFPVBQESA-N 1 2 239.319 1.979 20 0 BDADLO CCc1ncncc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000602166720 398068542 /nfs/dbraw/zinc/06/85/42/398068542.db2.gz AHFXCEHJPCCEPQ-UHFFFAOYSA-N 1 2 242.282 1.417 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730610 398068986 /nfs/dbraw/zinc/06/89/86/398068986.db2.gz UXIRBWUWTFUBLP-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730610 398068990 /nfs/dbraw/zinc/06/89/90/398068990.db2.gz UXIRBWUWTFUBLP-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2CC)[C@@H](C)CO1 ZINC000649731071 398070278 /nfs/dbraw/zinc/07/02/78/398070278.db2.gz CEEGSXULWQBSPP-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CCc1noc(C[N@@H+]2CCCC[C@H]2COC)n1 ZINC000650300340 398077388 /nfs/dbraw/zinc/07/73/88/398077388.db2.gz DPOAJNLUJBTJEM-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+]2CCCC[C@H]2COC)n1 ZINC000650300340 398077389 /nfs/dbraw/zinc/07/73/89/398077389.db2.gz DPOAJNLUJBTJEM-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)[C@@H]1CCCOC1 ZINC000649755158 398085322 /nfs/dbraw/zinc/08/53/22/398085322.db2.gz GTLOYWSHGKRVGY-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)[C@@H]1CCCOC1 ZINC000649755158 398085327 /nfs/dbraw/zinc/08/53/27/398085327.db2.gz GTLOYWSHGKRVGY-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CC/C=C(\C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000291113801 398088786 /nfs/dbraw/zinc/08/87/86/398088786.db2.gz MUWXLPWXMZTXCJ-ONNFQVAWSA-N 1 2 219.288 1.582 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3cscn3)C2)c1 ZINC000291206683 398091007 /nfs/dbraw/zinc/09/10/07/398091007.db2.gz IASPCVIBLVHMNZ-LLVKDONJSA-N 1 2 234.328 1.787 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3cscn3)C2)c1 ZINC000291206683 398091011 /nfs/dbraw/zinc/09/10/11/398091011.db2.gz IASPCVIBLVHMNZ-LLVKDONJSA-N 1 2 234.328 1.787 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000279791308 398052086 /nfs/dbraw/zinc/05/20/86/398052086.db2.gz VQLGCBKOUZNVJE-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000279791308 398052092 /nfs/dbraw/zinc/05/20/92/398052092.db2.gz VQLGCBKOUZNVJE-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CN(C)c1noc(C[NH2+]Cc2ccccc2)n1 ZINC000186413571 398053294 /nfs/dbraw/zinc/05/32/94/398053294.db2.gz WIPZBLHUMAOZRY-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO CCc1c(C(=O)NCc2[nH]cc[nH+]2)ccn1C ZINC000291223737 398091971 /nfs/dbraw/zinc/09/19/71/398091971.db2.gz IERRNHAYRSHNTL-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736305 398096183 /nfs/dbraw/zinc/09/61/83/398096183.db2.gz HPUZLMGMMALDKD-NXEZZACHSA-N 1 2 235.331 1.977 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736305 398096185 /nfs/dbraw/zinc/09/61/85/398096185.db2.gz HPUZLMGMMALDKD-NXEZZACHSA-N 1 2 235.331 1.977 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCOCC1(C)C ZINC000637963279 398055903 /nfs/dbraw/zinc/05/59/03/398055903.db2.gz AVPOVIMRRIESDN-GFCCVEGCSA-N 1 2 249.358 1.982 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCOCC1(C)C ZINC000637963279 398055905 /nfs/dbraw/zinc/05/59/05/398055905.db2.gz AVPOVIMRRIESDN-GFCCVEGCSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cnc[nH]1 ZINC000649717691 398059128 /nfs/dbraw/zinc/05/91/28/398059128.db2.gz KMYFDJGKWOATSV-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cnc[nH]1 ZINC000649717691 398059130 /nfs/dbraw/zinc/05/91/30/398059130.db2.gz KMYFDJGKWOATSV-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1c[nH]cn1 ZINC000649717691 398059132 /nfs/dbraw/zinc/05/91/32/398059132.db2.gz KMYFDJGKWOATSV-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1c[nH]cn1 ZINC000649717691 398059134 /nfs/dbraw/zinc/05/91/34/398059134.db2.gz KMYFDJGKWOATSV-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncccn2)[C@@H](CC)CO1 ZINC000649718003 398059180 /nfs/dbraw/zinc/05/91/80/398059180.db2.gz QBIYZHWXVFVTLC-RYUDHWBXSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncccn2)[C@@H](CC)CO1 ZINC000649718003 398059183 /nfs/dbraw/zinc/05/91/83/398059183.db2.gz QBIYZHWXVFVTLC-RYUDHWBXSA-N 1 2 235.331 1.866 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)NCC1CC1 ZINC000292155002 398101670 /nfs/dbraw/zinc/10/16/70/398101670.db2.gz KJCVTCSXVLTHRN-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)NCC1CC1 ZINC000292155002 398101675 /nfs/dbraw/zinc/10/16/75/398101675.db2.gz KJCVTCSXVLTHRN-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO CN(C[C@H]1CCCO1)c1nc[nH+]c(N)c1Cl ZINC000234294864 398104042 /nfs/dbraw/zinc/10/40/42/398104042.db2.gz OKJMQQTWAXKERP-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO CN(C[C@H]1CCCO1)c1[nH+]cnc(N)c1Cl ZINC000234294864 398104044 /nfs/dbraw/zinc/10/40/44/398104044.db2.gz OKJMQQTWAXKERP-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)c1ccccc1F ZINC000384826544 398107615 /nfs/dbraw/zinc/10/76/15/398107615.db2.gz SFABQNCYEZDFGQ-ZJUUUORDSA-N 1 2 237.274 1.464 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)c1ccccc1F ZINC000384826544 398107618 /nfs/dbraw/zinc/10/76/18/398107618.db2.gz SFABQNCYEZDFGQ-ZJUUUORDSA-N 1 2 237.274 1.464 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1ccccc1F ZINC000384826543 398108129 /nfs/dbraw/zinc/10/81/29/398108129.db2.gz SFABQNCYEZDFGQ-VHSXEESVSA-N 1 2 237.274 1.464 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1ccccc1F ZINC000384826543 398108134 /nfs/dbraw/zinc/10/81/34/398108134.db2.gz SFABQNCYEZDFGQ-VHSXEESVSA-N 1 2 237.274 1.464 20 0 BDADLO Cc1cc(C[NH2+]Cc2snnc2C)on1 ZINC000389609189 398116696 /nfs/dbraw/zinc/11/66/96/398116696.db2.gz CXCHXXFJHPKQQQ-UHFFFAOYSA-N 1 2 224.289 1.433 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649824544 398127240 /nfs/dbraw/zinc/12/72/40/398127240.db2.gz FWQQYXHJPPNXTD-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C)C(=O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649824544 398127242 /nfs/dbraw/zinc/12/72/42/398127242.db2.gz FWQQYXHJPPNXTD-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)C2(CCC2)CO1 ZINC000649821241 398122634 /nfs/dbraw/zinc/12/26/34/398122634.db2.gz BDIAUMROJKXKSI-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)C2(CCC2)CO1 ZINC000649821241 398122635 /nfs/dbraw/zinc/12/26/35/398122635.db2.gz BDIAUMROJKXKSI-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)[C@H](C)CO1 ZINC000066492669 398123285 /nfs/dbraw/zinc/12/32/85/398123285.db2.gz LBIVGTMSNOEHSD-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)[C@H](C)CO1 ZINC000066492669 398123287 /nfs/dbraw/zinc/12/32/87/398123287.db2.gz LBIVGTMSNOEHSD-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO CN(C(=O)C[N@H+](C)Cc1ccccn1)C1CC1 ZINC000295051167 398132218 /nfs/dbraw/zinc/13/22/18/398132218.db2.gz BCTLDSAYULSVAD-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN(C(=O)C[N@@H+](C)Cc1ccccn1)C1CC1 ZINC000295051167 398132220 /nfs/dbraw/zinc/13/22/20/398132220.db2.gz BCTLDSAYULSVAD-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO C[C@@H](CC(=O)NC1CC=CC1)n1cc[nH+]c1 ZINC000649839871 398135033 /nfs/dbraw/zinc/13/50/33/398135033.db2.gz YDHXMZYVVWOGRZ-JTQLQIEISA-N 1 2 219.288 1.669 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000378447471 167021020 /nfs/dbraw/zinc/02/10/20/167021020.db2.gz HMUUHMCOUZPFCH-LLVKDONJSA-N 1 2 229.320 1.154 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000378447471 167021021 /nfs/dbraw/zinc/02/10/21/167021021.db2.gz HMUUHMCOUZPFCH-LLVKDONJSA-N 1 2 229.320 1.154 20 0 BDADLO CC(C)NC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106872179 167039522 /nfs/dbraw/zinc/03/95/22/167039522.db2.gz WZEPHOOILMICNU-UHFFFAOYSA-N 1 2 234.290 1.631 20 0 BDADLO CC(C)NC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106872179 167039526 /nfs/dbraw/zinc/03/95/26/167039526.db2.gz WZEPHOOILMICNU-UHFFFAOYSA-N 1 2 234.290 1.631 20 0 BDADLO CC(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077845870 167082389 /nfs/dbraw/zinc/08/23/89/167082389.db2.gz QJKIFXVPZCQVNR-MRVPVSSYSA-N 1 2 207.277 1.039 20 0 BDADLO CC(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077845870 167082391 /nfs/dbraw/zinc/08/23/91/167082391.db2.gz QJKIFXVPZCQVNR-MRVPVSSYSA-N 1 2 207.277 1.039 20 0 BDADLO O=C(NC1CC=CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119551924 487557304 /nfs/dbraw/zinc/55/73/04/487557304.db2.gz VLZNRYVWMIRQSV-JTQLQIEISA-N 1 2 231.299 1.280 20 0 BDADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)co1 ZINC000403921496 487557643 /nfs/dbraw/zinc/55/76/43/487557643.db2.gz FLAFKMTZYQXABY-SECBINFHSA-N 1 2 246.257 1.433 20 0 BDADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)co1 ZINC000403921496 487557645 /nfs/dbraw/zinc/55/76/45/487557645.db2.gz FLAFKMTZYQXABY-SECBINFHSA-N 1 2 246.257 1.433 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)C[C@H](O)C1CC1 ZINC000674314706 487559388 /nfs/dbraw/zinc/55/93/88/487559388.db2.gz ODJDQNWEJDIZMK-JTQLQIEISA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)C[C@H](O)C1CC1 ZINC000674314706 487559392 /nfs/dbraw/zinc/55/93/92/487559392.db2.gz ODJDQNWEJDIZMK-JTQLQIEISA-N 1 2 237.303 1.150 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000680321763 487560733 /nfs/dbraw/zinc/56/07/33/487560733.db2.gz VUQIIIGPSNBUKN-SNVBAGLBSA-N 1 2 249.314 1.518 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000680321763 487560737 /nfs/dbraw/zinc/56/07/37/487560737.db2.gz VUQIIIGPSNBUKN-SNVBAGLBSA-N 1 2 249.314 1.518 20 0 BDADLO Cc1ccc(CCNC(=O)CCc2c[nH+]c[nH]2)o1 ZINC000526983661 487565373 /nfs/dbraw/zinc/56/53/73/487565373.db2.gz KYYBIHZUPLXDOZ-UHFFFAOYSA-N 1 2 247.298 1.603 20 0 BDADLO Cc1ccc(CCNC(=O)CCc2c[nH]c[nH+]2)o1 ZINC000526983661 487565379 /nfs/dbraw/zinc/56/53/79/487565379.db2.gz KYYBIHZUPLXDOZ-UHFFFAOYSA-N 1 2 247.298 1.603 20 0 BDADLO CC(C)[N@@H+]1CC[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324881 974856951 /nfs/dbraw/zinc/85/69/51/974856951.db2.gz VZUVQJQDGWYXFY-SECBINFHSA-N 1 2 223.276 1.044 20 0 BDADLO CC(C)[N@H+]1CC[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324881 974856954 /nfs/dbraw/zinc/85/69/54/974856954.db2.gz VZUVQJQDGWYXFY-SECBINFHSA-N 1 2 223.276 1.044 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(N)=O)c1ccccc1 ZINC000074017611 487569826 /nfs/dbraw/zinc/56/98/26/487569826.db2.gz ODLUASDVAFYZPA-SNVBAGLBSA-N 1 2 230.271 1.178 20 0 BDADLO C[C@@H]1CCCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000674410030 487570621 /nfs/dbraw/zinc/57/06/21/487570621.db2.gz GKMUWVONHZWEQS-SNVBAGLBSA-N 1 2 229.287 1.651 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nnc(CC)[nH]2)C1 ZINC000680363770 487575188 /nfs/dbraw/zinc/57/51/88/487575188.db2.gz BCYBTJIHNYMBEP-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nnc(CC)[nH]2)C1 ZINC000680363770 487575194 /nfs/dbraw/zinc/57/51/94/487575194.db2.gz BCYBTJIHNYMBEP-SNVBAGLBSA-N 1 2 238.335 1.368 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000674468289 487583971 /nfs/dbraw/zinc/58/39/71/487583971.db2.gz YCYHHVVUTQLIKP-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000674468289 487583977 /nfs/dbraw/zinc/58/39/77/487583977.db2.gz YCYHHVVUTQLIKP-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)OC[C@@H]1C[N@H+](C/C=C/Cl)CCO1 ZINC000364196007 167263578 /nfs/dbraw/zinc/26/35/78/167263578.db2.gz GSEYAJSBYGUBSA-UFFNRZRYSA-N 1 2 233.739 1.865 20 0 BDADLO CC(C)OC[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 ZINC000364196007 167263579 /nfs/dbraw/zinc/26/35/79/167263579.db2.gz GSEYAJSBYGUBSA-UFFNRZRYSA-N 1 2 233.739 1.865 20 0 BDADLO CC1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000674512353 487591196 /nfs/dbraw/zinc/59/11/96/487591196.db2.gz YIEOTHPQWSUJIV-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](n3cccn3)C2)co1 ZINC000585640476 487591553 /nfs/dbraw/zinc/59/15/53/487591553.db2.gz LPJGEUMVFUYUCC-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](n3cccn3)C2)co1 ZINC000585640476 487591560 /nfs/dbraw/zinc/59/15/60/487591560.db2.gz LPJGEUMVFUYUCC-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCCO1 ZINC000653873290 487599914 /nfs/dbraw/zinc/59/99/14/487599914.db2.gz ONAWZKKTNBVOEP-RYUDHWBXSA-N 1 2 223.320 1.847 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccn(C)n1 ZINC000680465683 487601201 /nfs/dbraw/zinc/60/12/01/487601201.db2.gz QOGMSGPUBOARPT-LLVKDONJSA-N 1 2 233.319 1.693 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)Cc1cncnc1 ZINC000532502036 487603530 /nfs/dbraw/zinc/60/35/30/487603530.db2.gz JQQGHUQXRPYCKU-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)Cc1cncnc1 ZINC000532502036 487603533 /nfs/dbraw/zinc/60/35/33/487603533.db2.gz JQQGHUQXRPYCKU-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000556748139 322921685 /nfs/dbraw/zinc/92/16/85/322921685.db2.gz HLBJPNHRLIWOOA-WDEREUQCSA-N 1 2 221.304 1.388 20 0 BDADLO Cc1noc(C[N@@H+](C)C2CC(OC(C)C)C2)n1 ZINC000653887946 487608799 /nfs/dbraw/zinc/60/87/99/487608799.db2.gz CHFYBEFKHLBDRE-UHFFFAOYSA-N 1 2 239.319 1.766 20 0 BDADLO Cc1noc(C[N@H+](C)C2CC(OC(C)C)C2)n1 ZINC000653887946 487608802 /nfs/dbraw/zinc/60/88/02/487608802.db2.gz CHFYBEFKHLBDRE-UHFFFAOYSA-N 1 2 239.319 1.766 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@](C)(C(F)F)O1 ZINC000662358763 409672717 /nfs/dbraw/zinc/67/27/17/409672717.db2.gz FIAUZVBXRVUZIB-GZMMTYOYSA-N 1 2 245.273 1.654 20 0 BDADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@](C)(C(F)F)O1 ZINC000662358763 409672723 /nfs/dbraw/zinc/67/27/23/409672723.db2.gz FIAUZVBXRVUZIB-GZMMTYOYSA-N 1 2 245.273 1.654 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@](C)(C(F)F)O1 ZINC000662358778 409672760 /nfs/dbraw/zinc/67/27/60/409672760.db2.gz FIAUZVBXRVUZIB-KWQFWETISA-N 1 2 245.273 1.654 20 0 BDADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@](C)(C(F)F)O1 ZINC000662358778 409672765 /nfs/dbraw/zinc/67/27/65/409672765.db2.gz FIAUZVBXRVUZIB-KWQFWETISA-N 1 2 245.273 1.654 20 0 BDADLO C[C@](O)(CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000674747618 487610473 /nfs/dbraw/zinc/61/04/73/487610473.db2.gz MGWCIDOLSZNWJG-AWEZNQCLSA-N 1 2 243.310 1.625 20 0 BDADLO C[N@H+](CCOCC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660843661 409836292 /nfs/dbraw/zinc/83/62/92/409836292.db2.gz HDQXITYCFYWIKR-UHFFFAOYSA-N 1 2 241.291 1.024 20 0 BDADLO C[N@@H+](CCOCC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660843661 409836301 /nfs/dbraw/zinc/83/63/01/409836301.db2.gz HDQXITYCFYWIKR-UHFFFAOYSA-N 1 2 241.291 1.024 20 0 BDADLO COCCCC[N@H+](C)Cc1csnn1 ZINC000660825681 409801955 /nfs/dbraw/zinc/80/19/55/409801955.db2.gz JPUMXXMDCSQRAM-UHFFFAOYSA-N 1 2 215.322 1.397 20 0 BDADLO COCCCC[N@@H+](C)Cc1csnn1 ZINC000660825681 409801964 /nfs/dbraw/zinc/80/19/64/409801964.db2.gz JPUMXXMDCSQRAM-UHFFFAOYSA-N 1 2 215.322 1.397 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC12CCCC2 ZINC000660909768 409960082 /nfs/dbraw/zinc/96/00/82/409960082.db2.gz PFZKEJRMCRNBRT-UHFFFAOYSA-N 1 2 206.293 1.366 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC12CCCC2 ZINC000660909768 409960087 /nfs/dbraw/zinc/96/00/87/409960087.db2.gz PFZKEJRMCRNBRT-UHFFFAOYSA-N 1 2 206.293 1.366 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CC2(F)CC2)CCO1 ZINC000668827724 487612524 /nfs/dbraw/zinc/61/25/24/487612524.db2.gz ZPLBNQNCTOHHGQ-VIFPVBQESA-N 1 2 223.238 1.845 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CC2(F)CC2)CCO1 ZINC000668827724 487612531 /nfs/dbraw/zinc/61/25/31/487612531.db2.gz ZPLBNQNCTOHHGQ-VIFPVBQESA-N 1 2 223.238 1.845 20 0 BDADLO CCc1coc(NC(=O)CCc2c[nH+]cn2C)n1 ZINC000556805762 322925205 /nfs/dbraw/zinc/92/52/05/322925205.db2.gz AAMLZKXJKRAPEM-UHFFFAOYSA-N 1 2 248.286 1.542 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000674753535 487613176 /nfs/dbraw/zinc/61/31/76/487613176.db2.gz WOAVXJOIJHVYKL-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000674753535 487613179 /nfs/dbraw/zinc/61/31/79/487613179.db2.gz WOAVXJOIJHVYKL-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cccn1)c1[nH]cc[nH+]1 ZINC000655401953 410206151 /nfs/dbraw/zinc/20/61/51/410206151.db2.gz IVSNOTWAFRFSIP-VHSXEESVSA-N 1 2 247.302 1.435 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650717078 410355684 /nfs/dbraw/zinc/35/56/84/410355684.db2.gz RECKTIQLKFZVPL-ZDUSSCGKSA-N 1 2 242.326 1.845 20 0 BDADLO CCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071540721 410416902 /nfs/dbraw/zinc/41/69/02/410416902.db2.gz YYLVVMYQSSDBPX-UHFFFAOYSA-N 1 2 217.272 1.783 20 0 BDADLO CC[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(F)F ZINC000661252978 410421904 /nfs/dbraw/zinc/42/19/04/410421904.db2.gz UWMSBJXWWLAEJU-QMMMGPOBSA-N 1 2 246.261 1.595 20 0 BDADLO CC[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(F)F ZINC000661252978 410421910 /nfs/dbraw/zinc/42/19/10/410421910.db2.gz UWMSBJXWWLAEJU-QMMMGPOBSA-N 1 2 246.261 1.595 20 0 BDADLO CCc1cc(N(C)Cc2c[nH]cn2)nc(C)[nH+]1 ZINC000664127781 410461290 /nfs/dbraw/zinc/46/12/90/410461290.db2.gz RMPMCXYZRNXTBN-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO Cn1cc(CNc2cc[nH+]c3ccncc23)cn1 ZINC000085658470 410466818 /nfs/dbraw/zinc/46/68/18/410466818.db2.gz OBFLMIVBWUSXJV-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)C(=O)OC ZINC000300364634 410521995 /nfs/dbraw/zinc/52/19/95/410521995.db2.gz HIZNNKYYPKAHOZ-GUBZILKMSA-N 1 2 229.320 1.341 20 0 BDADLO CC/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000650826042 410528932 /nfs/dbraw/zinc/52/89/32/410528932.db2.gz ZYBJEOWSPXUITA-BYCRGOAPSA-N 1 2 233.315 1.528 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@](C)(CO)C2)cc[nH+]1 ZINC000664599669 410610451 /nfs/dbraw/zinc/61/04/51/410610451.db2.gz XOMZHBCIGIJLEF-SKDRFNHKSA-N 1 2 221.304 1.240 20 0 BDADLO Cc1cc(N(C)CC2=CCSC2)nc[nH+]1 ZINC000664640739 410612785 /nfs/dbraw/zinc/61/27/85/410612785.db2.gz LURCECJYRBBXAY-UHFFFAOYSA-N 1 2 221.329 1.894 20 0 BDADLO CC(C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268386378 166710462 /nfs/dbraw/zinc/71/04/62/166710462.db2.gz OVEMHBIFUFBBAF-VXGBXAGGSA-N 1 2 235.331 1.949 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cn[nH]c1 ZINC000651097273 410804653 /nfs/dbraw/zinc/80/46/53/410804653.db2.gz FWOGUMXIDPNZPS-UHFFFAOYSA-N 1 2 245.286 1.124 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651255477 410878964 /nfs/dbraw/zinc/87/89/64/410878964.db2.gz WRONAUAIWRLOHO-VXGBXAGGSA-N 1 2 247.342 1.863 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)C/C=C/Cl ZINC000120444999 167045842 /nfs/dbraw/zinc/04/58/42/167045842.db2.gz GSBNJBQSTXETKZ-SNAWJCMRSA-N 1 2 204.701 1.195 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)C/C=C/Cl ZINC000120444999 167045846 /nfs/dbraw/zinc/04/58/46/167045846.db2.gz GSBNJBQSTXETKZ-SNAWJCMRSA-N 1 2 204.701 1.195 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010106719 167053580 /nfs/dbraw/zinc/05/35/80/167053580.db2.gz YBDQVIJHUFFCQM-UHFFFAOYSA-N 1 2 238.356 1.631 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000010106719 167053583 /nfs/dbraw/zinc/05/35/83/167053583.db2.gz YBDQVIJHUFFCQM-UHFFFAOYSA-N 1 2 238.356 1.631 20 0 BDADLO CC(C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000336440751 167081450 /nfs/dbraw/zinc/08/14/50/167081450.db2.gz UKOLZYQWPGHPAO-VXGBXAGGSA-N 1 2 247.342 1.679 20 0 BDADLO CC(C)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000041816723 167085965 /nfs/dbraw/zinc/08/59/65/167085965.db2.gz GGYXOMAGJIPRGX-UHFFFAOYSA-N 1 2 230.271 1.406 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000340346898 167169502 /nfs/dbraw/zinc/16/95/02/167169502.db2.gz ATIXKLUIJPIZPR-VIFPVBQESA-N 1 2 217.334 1.375 20 0 BDADLO CC(C)OCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000078427667 167195474 /nfs/dbraw/zinc/19/54/74/167195474.db2.gz MFBIGWKCGUPDLG-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CC(C)OCCC[S@](=O)Cc1c[nH+]cn1C ZINC000276667345 167225195 /nfs/dbraw/zinc/22/51/95/167225195.db2.gz IPCJKQYPQLSEPX-INIZCTEOSA-N 1 2 244.360 1.484 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334206858 167354488 /nfs/dbraw/zinc/35/44/88/167354488.db2.gz DNWHZZPBOBANSH-ZJUUUORDSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334206858 167354492 /nfs/dbraw/zinc/35/44/92/167354492.db2.gz DNWHZZPBOBANSH-ZJUUUORDSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC000298445119 167370373 /nfs/dbraw/zinc/37/03/73/167370373.db2.gz FFWROBJUCSKEHC-SECBINFHSA-N 1 2 233.319 1.844 20 0 BDADLO CC(C)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279235191 167371979 /nfs/dbraw/zinc/37/19/79/167371979.db2.gz QUXFNWITZTYDRX-SECBINFHSA-N 1 2 209.293 1.503 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000337375858 167372730 /nfs/dbraw/zinc/37/27/30/167372730.db2.gz VKIGYCUYZGQVLF-IJLUTSLNSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000337375858 167372732 /nfs/dbraw/zinc/37/27/32/167372732.db2.gz VKIGYCUYZGQVLF-IJLUTSLNSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cncnc1)c1[nH]cc[nH+]1 ZINC000278537908 167428861 /nfs/dbraw/zinc/42/88/61/167428861.db2.gz FCKCDXGZSCFRBR-SNVBAGLBSA-N 1 2 245.286 1.327 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1C1CCC1 ZINC000651364708 410952609 /nfs/dbraw/zinc/95/26/09/410952609.db2.gz JTLLQQBVKLTMDO-WDEREUQCSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000651364708 410952615 /nfs/dbraw/zinc/95/26/15/410952615.db2.gz JTLLQQBVKLTMDO-WDEREUQCSA-N 1 2 219.288 1.462 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1ccon1)n1cc[nH+]c1 ZINC000651375935 410960094 /nfs/dbraw/zinc/96/00/94/410960094.db2.gz SOYBDYKQGQRWSW-SNVBAGLBSA-N 1 2 248.286 1.481 20 0 BDADLO O=C(N1CCn2cc[nH+]c2C1)C1(CF)CCC1 ZINC000335355071 487619880 /nfs/dbraw/zinc/61/98/80/487619880.db2.gz LPVGLGHMOTZXFU-UHFFFAOYSA-N 1 2 237.278 1.365 20 0 BDADLO Cc1cc[nH+]c(N[C@H]2C[C@@H](C(N)=O)C2)c1Cl ZINC000651413216 410995679 /nfs/dbraw/zinc/99/56/79/410995679.db2.gz UEAYUFBWWWXFOP-OCAPTIKFSA-N 1 2 239.706 1.719 20 0 BDADLO COCC[N@H+](C)CC(=O)c1ccccc1F ZINC000042459860 411008516 /nfs/dbraw/zinc/00/85/16/411008516.db2.gz LDSUBGOURGPKIS-UHFFFAOYSA-N 1 2 225.263 1.587 20 0 BDADLO COCC[N@@H+](C)CC(=O)c1ccccc1F ZINC000042459860 411008520 /nfs/dbraw/zinc/00/85/20/411008520.db2.gz LDSUBGOURGPKIS-UHFFFAOYSA-N 1 2 225.263 1.587 20 0 BDADLO OC[C@@H](CCF)Nc1cc(NC2CC2)[nH+]cn1 ZINC000651463624 411046878 /nfs/dbraw/zinc/04/68/78/411046878.db2.gz XOVTXANFOBRZHA-SECBINFHSA-N 1 2 240.282 1.183 20 0 BDADLO OC[C@@H](CCF)Nc1cc(NC2CC2)nc[nH+]1 ZINC000651463624 411046880 /nfs/dbraw/zinc/04/68/80/411046880.db2.gz XOVTXANFOBRZHA-SECBINFHSA-N 1 2 240.282 1.183 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000651463741 411048600 /nfs/dbraw/zinc/04/86/00/411048600.db2.gz YMIAMKQRTYMYMR-KCJUWKMLSA-N 1 2 223.320 1.794 20 0 BDADLO COC(=O)NCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000496744853 411057555 /nfs/dbraw/zinc/05/75/55/411057555.db2.gz ZNLCSMSNXRJVMS-UHFFFAOYSA-N 1 2 249.274 1.034 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CC[C@H]1C ZINC000655952948 411163151 /nfs/dbraw/zinc/16/31/51/411163151.db2.gz ZHABDKKMUDJYIR-SECBINFHSA-N 1 2 235.287 1.394 20 0 BDADLO Cc1ccccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000212311573 411146155 /nfs/dbraw/zinc/14/61/55/411146155.db2.gz UOXXXAZYDLVHEL-JTQLQIEISA-N 1 2 229.283 1.307 20 0 BDADLO CCC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659999804 411163928 /nfs/dbraw/zinc/16/39/28/411163928.db2.gz HQFYYMXJRYYDTA-NSHDSACASA-N 1 2 222.336 1.859 20 0 BDADLO CCC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659999804 411163933 /nfs/dbraw/zinc/16/39/33/411163933.db2.gz HQFYYMXJRYYDTA-NSHDSACASA-N 1 2 222.336 1.859 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)CCO1 ZINC000045753433 411148685 /nfs/dbraw/zinc/14/86/85/411148685.db2.gz NTJAWMAPPHXIDS-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)CCO1 ZINC000045753433 411148686 /nfs/dbraw/zinc/14/86/86/411148686.db2.gz NTJAWMAPPHXIDS-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000045753457 411148895 /nfs/dbraw/zinc/14/88/95/411148895.db2.gz CDOWPSNMNUXBEA-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000045753457 411148896 /nfs/dbraw/zinc/14/88/96/411148896.db2.gz CDOWPSNMNUXBEA-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CCN1OC[C@H]([N@@H+]2Cc3ccccc3[C@H]2C)C1=O ZINC000659978730 411153240 /nfs/dbraw/zinc/15/32/40/411153240.db2.gz IKFPLJXIZHIZHX-MFKMUULPSA-N 1 2 246.310 1.726 20 0 BDADLO CCN1OC[C@H]([N@H+]2Cc3ccccc3[C@H]2C)C1=O ZINC000659978730 411153242 /nfs/dbraw/zinc/15/32/42/411153242.db2.gz IKFPLJXIZHIZHX-MFKMUULPSA-N 1 2 246.310 1.726 20 0 BDADLO CC(C)c1nc(N[C@@H](C)[C@@H]2CCOC2)cc[nH+]1 ZINC000359314951 167686596 /nfs/dbraw/zinc/68/65/96/167686596.db2.gz XSJDZVKKJAFOGJ-WDEREUQCSA-N 1 2 235.331 1.859 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000653664296 411161992 /nfs/dbraw/zinc/16/19/92/411161992.db2.gz UWUGDWNMBJKUMO-NSHDSACASA-N 1 2 244.335 1.666 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000653664296 411161995 /nfs/dbraw/zinc/16/19/95/411161995.db2.gz UWUGDWNMBJKUMO-NSHDSACASA-N 1 2 244.335 1.666 20 0 BDADLO C[C@H](CC(=O)N1CC(C(F)F)C1)n1cc[nH+]c1 ZINC000651527947 411115684 /nfs/dbraw/zinc/11/56/84/411115684.db2.gz DNCNORLODDJHOC-MRVPVSSYSA-N 1 2 243.257 1.558 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)o1 ZINC000364920077 411122996 /nfs/dbraw/zinc/12/29/96/411122996.db2.gz YBACQZIBWKAQLC-HOSYDEDBSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)o1 ZINC000364920077 411122997 /nfs/dbraw/zinc/12/29/97/411122997.db2.gz YBACQZIBWKAQLC-HOSYDEDBSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)o1 ZINC000364920080 411123097 /nfs/dbraw/zinc/12/30/97/411123097.db2.gz YBACQZIBWKAQLC-UMNHJUIQSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)o1 ZINC000364920080 411123098 /nfs/dbraw/zinc/12/30/98/411123098.db2.gz YBACQZIBWKAQLC-UMNHJUIQSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cccn2c(C[NH2+]C[C@@H](C)C(=O)[O-])c[nH+]c12 ZINC000656094762 411175926 /nfs/dbraw/zinc/17/59/26/411175926.db2.gz BMIZMHNHCFBULJ-SNVBAGLBSA-N 1 2 247.298 1.453 20 0 BDADLO Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](C)C(=O)[O-])n2c1 ZINC000656095904 411177258 /nfs/dbraw/zinc/17/72/58/411177258.db2.gz RVNZSIWIOQSHEY-SNVBAGLBSA-N 1 2 247.298 1.453 20 0 BDADLO COc1c(C)ncnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000656108174 411179490 /nfs/dbraw/zinc/17/94/90/411179490.db2.gz SSQCUANGRFXCTR-VIFPVBQESA-N 1 2 247.302 1.491 20 0 BDADLO COc1c(C)ncnc1NCCn1cc[nH+]c1 ZINC000656106109 411179852 /nfs/dbraw/zinc/17/98/52/411179852.db2.gz NWVYVGYPVDMTHH-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BDADLO Cc1ccc(N[C@@H](C)Cn2cncn2)c(C)[nH+]1 ZINC000657955092 411180992 /nfs/dbraw/zinc/18/09/92/411180992.db2.gz YTCQIWJGQPUWIS-JTQLQIEISA-N 1 2 231.303 1.791 20 0 BDADLO CCn1cnnc1CNc1nc[nH+]c(C)c1OC ZINC000656109156 411181107 /nfs/dbraw/zinc/18/11/07/411181107.db2.gz ZILQPBPWFNWIMG-UHFFFAOYSA-N 1 2 248.290 1.017 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC(C)C ZINC000656112947 411181308 /nfs/dbraw/zinc/18/13/08/411181308.db2.gz UNDSFXYTGDMGLX-UHFFFAOYSA-N 1 2 209.293 1.886 20 0 BDADLO CCC(O)(CC)CNc1nc[nH+]c(C)c1OC ZINC000656112968 411181421 /nfs/dbraw/zinc/18/14/21/411181421.db2.gz WPCPNQJLCCCRLW-UHFFFAOYSA-N 1 2 239.319 1.757 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656125224 411183074 /nfs/dbraw/zinc/18/30/74/411183074.db2.gz BLWKPLDLYZTUTH-SCZZXKLOSA-N 1 2 239.319 1.613 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC(C)(F)C1 ZINC000656135122 411184873 /nfs/dbraw/zinc/18/48/73/411184873.db2.gz DYIMJNBXUDOHBD-UHFFFAOYSA-N 1 2 240.282 1.156 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](OC)C(C)C ZINC000656131971 411184895 /nfs/dbraw/zinc/18/48/95/411184895.db2.gz DGRWXHYSQOLOQY-SNVBAGLBSA-N 1 2 239.319 1.877 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H](C)c2ncnn2C)cn1 ZINC000353182844 167752832 /nfs/dbraw/zinc/75/28/32/167752832.db2.gz PNPNYHRTXWOOCO-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO COc1c(N)[nH+]cnc1NC1CC=CC1 ZINC000656146702 411186378 /nfs/dbraw/zinc/18/63/78/411186378.db2.gz LMHGRVJCYJHLDT-UHFFFAOYSA-N 1 2 206.249 1.198 20 0 BDADLO COc1c(N)nc[nH+]c1NC1CC=CC1 ZINC000656146702 411186379 /nfs/dbraw/zinc/18/63/79/411186379.db2.gz LMHGRVJCYJHLDT-UHFFFAOYSA-N 1 2 206.249 1.198 20 0 BDADLO COC1([C@@H](C)[NH2+]CC(F)(F)CO)CCC1 ZINC000657977804 411186643 /nfs/dbraw/zinc/18/66/43/411186643.db2.gz FQRRGDCFCSEKGZ-MRVPVSSYSA-N 1 2 223.263 1.161 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2cn(C)nn2)cn1 ZINC000652283083 411186731 /nfs/dbraw/zinc/18/67/31/411186731.db2.gz STSOCADWWIVRDQ-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CC[C@H](O)C[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653809067 411188723 /nfs/dbraw/zinc/18/87/23/411188723.db2.gz MCOUAXYOMFYCGH-LBPRGKRZSA-N 1 2 228.380 1.564 20 0 BDADLO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ncn(C)n1 ZINC000657983435 411188992 /nfs/dbraw/zinc/18/89/92/411188992.db2.gz QESDPBPNHKRWIX-NXEZZACHSA-N 1 2 236.319 1.177 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H]([C@@H](C)O)C1 ZINC000656155222 411190041 /nfs/dbraw/zinc/19/00/41/411190041.db2.gz MVYKKETWQKPHCS-NXEZZACHSA-N 1 2 237.303 1.001 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)C[C@H](C)O ZINC000656156706 411190490 /nfs/dbraw/zinc/19/04/90/411190490.db2.gz RHNDOIXSVZPDIR-YUMQZZPRSA-N 1 2 225.292 1.365 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](C)OC ZINC000656181009 411192778 /nfs/dbraw/zinc/19/27/78/411192778.db2.gz WGZPGTGSGMFXPA-SSDOTTSWSA-N 1 2 211.265 1.240 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC[C@@H](C)O ZINC000656182295 411194260 /nfs/dbraw/zinc/19/42/60/411194260.db2.gz ZJIULUULJMBJEM-MRVPVSSYSA-N 1 2 225.292 1.367 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[C@H](C)O ZINC000656181652 411194726 /nfs/dbraw/zinc/19/47/26/411194726.db2.gz DPFPZKZFRUKYKA-VIFPVBQESA-N 1 2 209.293 1.666 20 0 BDADLO OCCOCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653831071 411195476 /nfs/dbraw/zinc/19/54/76/411195476.db2.gz SYPFAIAVGGBKTG-UHFFFAOYSA-N 1 2 243.253 1.289 20 0 BDADLO COc1ccc2c(c1)CN(Cc1[nH+]ccn1C)C2 ZINC000653834137 411196855 /nfs/dbraw/zinc/19/68/55/411196855.db2.gz HTRZZHVABLYMKD-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H](C2CC2)C1 ZINC000656188659 411197203 /nfs/dbraw/zinc/19/72/03/411197203.db2.gz NRZGNELXJKPHBE-JTQLQIEISA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H](C2CC2)C1 ZINC000656188659 411197204 /nfs/dbraw/zinc/19/72/04/411197204.db2.gz NRZGNELXJKPHBE-JTQLQIEISA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](F)C1 ZINC000656194501 411199460 /nfs/dbraw/zinc/19/94/60/411199460.db2.gz GXSBKEMEUJNVNV-MRVPVSSYSA-N 1 2 211.240 1.342 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CC12CC2 ZINC000656201431 411206362 /nfs/dbraw/zinc/20/63/62/411206362.db2.gz FGUJJTZDFOHMNH-SSDOTTSWSA-N 1 2 220.276 1.279 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CC12CC2 ZINC000656201431 411206363 /nfs/dbraw/zinc/20/63/63/411206363.db2.gz FGUJJTZDFOHMNH-SSDOTTSWSA-N 1 2 220.276 1.279 20 0 BDADLO CCO[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000066484259 411206690 /nfs/dbraw/zinc/20/66/90/411206690.db2.gz KXEDIJQDQRASGW-SECBINFHSA-N 1 2 208.261 1.754 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@H](O)C(C)(C)C)n1 ZINC000653889107 411209393 /nfs/dbraw/zinc/20/93/93/411209393.db2.gz RBQPTSDDYZZWGJ-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@H](O)C(C)(C)C)n1 ZINC000653889107 411209396 /nfs/dbraw/zinc/20/93/96/411209396.db2.gz RBQPTSDDYZZWGJ-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@H]2CC[C@@H](C)O2)n1 ZINC000653888935 411209696 /nfs/dbraw/zinc/20/96/96/411209696.db2.gz LCFJSACBPWFKHH-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@H]2CC[C@@H](C)O2)n1 ZINC000653888935 411209698 /nfs/dbraw/zinc/20/96/98/411209698.db2.gz LCFJSACBPWFKHH-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@@H]2CC[C@H](C)O2)n1 ZINC000653888938 411209880 /nfs/dbraw/zinc/20/98/80/411209880.db2.gz LCFJSACBPWFKHH-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@@H]2CC[C@H](C)O2)n1 ZINC000653888938 411209881 /nfs/dbraw/zinc/20/98/81/411209881.db2.gz LCFJSACBPWFKHH-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO CCC(=O)CCC[N@H+](C)Cc1nc(C)no1 ZINC000653889320 411210119 /nfs/dbraw/zinc/21/01/19/411210119.db2.gz ZINPAHWKAOKNKM-UHFFFAOYSA-N 1 2 225.292 1.569 20 0 BDADLO CCC(=O)CCC[N@@H+](C)Cc1nc(C)no1 ZINC000653889320 411210122 /nfs/dbraw/zinc/21/01/22/411210122.db2.gz ZINPAHWKAOKNKM-UHFFFAOYSA-N 1 2 225.292 1.569 20 0 BDADLO Cc1cc(NCc2nnn(C(C)(C)C)n2)nc[nH+]1 ZINC000656213658 411211485 /nfs/dbraw/zinc/21/14/85/411211485.db2.gz VHVTZNWUAPTJBQ-UHFFFAOYSA-N 1 2 247.306 1.139 20 0 BDADLO Cc1noc(CN(C)c2cc(C)[nH+]cn2)n1 ZINC000656227318 411212832 /nfs/dbraw/zinc/21/28/32/411212832.db2.gz MWIUGTICGVJXQV-UHFFFAOYSA-N 1 2 219.248 1.113 20 0 BDADLO COc1ccc(C[NH+]2CC3(CC3(F)F)C2)cn1 ZINC000656265563 411221080 /nfs/dbraw/zinc/22/10/80/411221080.db2.gz SIZBFFYPRFYJOB-UHFFFAOYSA-N 1 2 240.253 1.931 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611937034 411229967 /nfs/dbraw/zinc/22/99/67/411229967.db2.gz NBNIZJXKRBOPBS-IRCOFANPSA-N 1 2 247.342 1.781 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2ccon2)[nH+]1 ZINC000652405564 411231401 /nfs/dbraw/zinc/23/14/01/411231401.db2.gz RRMBABKTVCGLLF-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO CCN(C(=O)N[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000660101651 411231488 /nfs/dbraw/zinc/23/14/88/411231488.db2.gz RLWNTGLOFWHOIH-SNVBAGLBSA-N 1 2 238.335 1.921 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000653926345 411233259 /nfs/dbraw/zinc/23/32/59/411233259.db2.gz PNLHWFNRAYWEKF-JSGCOSHPSA-N 1 2 245.326 1.530 20 0 BDADLO Cc1ccc(-c2[nH+]ccn2C)cc1CO ZINC000656369670 411236196 /nfs/dbraw/zinc/23/61/96/411236196.db2.gz SGDMZWYLBODMGM-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Cn1cc[nH+]c1-c1ccc2c(c1)C[C@@H](CO)O2 ZINC000656371659 411238213 /nfs/dbraw/zinc/23/82/13/411238213.db2.gz MVCLMXFYNZSADM-NSHDSACASA-N 1 2 230.267 1.383 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cnccn1 ZINC000658089958 411240578 /nfs/dbraw/zinc/24/05/78/411240578.db2.gz CGDIPIGHGDGZDX-RYUDHWBXSA-N 1 2 248.374 2.000 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000658160876 411273805 /nfs/dbraw/zinc/27/38/05/411273805.db2.gz IFZRBMXIFWJWRG-VHSXEESVSA-N 1 2 238.335 1.619 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCCC[C@H]2C)[nH]1 ZINC000658160877 411273938 /nfs/dbraw/zinc/27/39/38/411273938.db2.gz IFZRBMXIFWJWRG-ZJUUUORDSA-N 1 2 238.335 1.619 20 0 BDADLO C[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1F ZINC000051837271 411284806 /nfs/dbraw/zinc/28/48/06/411284806.db2.gz BEMGLEVWLUBDNL-SECBINFHSA-N 1 2 225.263 1.321 20 0 BDADLO C[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1F ZINC000051837271 411284810 /nfs/dbraw/zinc/28/48/10/411284810.db2.gz BEMGLEVWLUBDNL-SECBINFHSA-N 1 2 225.263 1.321 20 0 BDADLO CC(C)c1noc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000653738790 411285865 /nfs/dbraw/zinc/28/58/65/411285865.db2.gz XKRNLQAFSLVFER-RKDXNWHRSA-N 1 2 239.319 1.442 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000656534169 411290443 /nfs/dbraw/zinc/29/04/43/411290443.db2.gz FDHHHPACXUTRMH-RNJXMRFFSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000656534169 411290446 /nfs/dbraw/zinc/29/04/46/411290446.db2.gz FDHHHPACXUTRMH-RNJXMRFFSA-N 1 2 227.226 1.019 20 0 BDADLO CCc1cnc(CN2CCn3c[nH+]cc3C2)o1 ZINC000660577941 411330171 /nfs/dbraw/zinc/33/01/71/411330171.db2.gz KPVCSQBDNYENDI-UHFFFAOYSA-N 1 2 232.287 1.449 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cn1 ZINC000062053387 411305642 /nfs/dbraw/zinc/30/56/42/411305642.db2.gz JVBWLPMTVUVKJX-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)cn1 ZINC000062053387 411305645 /nfs/dbraw/zinc/30/56/45/411305645.db2.gz JVBWLPMTVUVKJX-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000402684934 411308560 /nfs/dbraw/zinc/30/85/60/411308560.db2.gz YVHUMPFKRUZRSK-SNVBAGLBSA-N 1 2 233.315 1.238 20 0 BDADLO Cc1cncc(CC[N@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000402684934 411308564 /nfs/dbraw/zinc/30/85/64/411308564.db2.gz YVHUMPFKRUZRSK-SNVBAGLBSA-N 1 2 233.315 1.238 20 0 BDADLO O=C(COC(F)F)NCCCCn1cc[nH+]c1 ZINC000556834630 322928286 /nfs/dbraw/zinc/92/82/86/322928286.db2.gz FIQNAGNNFPHBRD-UHFFFAOYSA-N 1 2 247.245 1.019 20 0 BDADLO CCc1nc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661965904 411332438 /nfs/dbraw/zinc/33/24/38/411332438.db2.gz BXKDDCFVWHUQDE-GUBZILKMSA-N 1 2 220.320 1.770 20 0 BDADLO CCc1nc([C@H](C)[N@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661965904 411332440 /nfs/dbraw/zinc/33/24/40/411332440.db2.gz BXKDDCFVWHUQDE-GUBZILKMSA-N 1 2 220.320 1.770 20 0 BDADLO c1c(C[NH2+]Cc2ccccn2)nn2c1CCCC2 ZINC000655703763 411254563 /nfs/dbraw/zinc/25/45/63/411254563.db2.gz LEBVKTUGMZRVAI-UHFFFAOYSA-N 1 2 242.326 1.904 20 0 BDADLO COc1ncccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000660143642 411257959 /nfs/dbraw/zinc/25/79/59/411257959.db2.gz YHZDYSMOMGVAHE-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)n1 ZINC000656683471 411326899 /nfs/dbraw/zinc/32/68/99/411326899.db2.gz LXFVHWFFCOZMNH-HTRCEHHLSA-N 1 2 247.245 1.453 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(N)s2)[C@H](C)CO1 ZINC000403732595 411356682 /nfs/dbraw/zinc/35/66/82/411356682.db2.gz BBXUCRUMPZLDAT-BDAKNGLRSA-N 1 2 241.360 1.555 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(N)s2)[C@H](C)CO1 ZINC000403732595 411356683 /nfs/dbraw/zinc/35/66/83/411356683.db2.gz BBXUCRUMPZLDAT-BDAKNGLRSA-N 1 2 241.360 1.555 20 0 BDADLO COc1cc(C[N@H+](C(C)C)C2COC2)sn1 ZINC000660648925 411373142 /nfs/dbraw/zinc/37/31/42/411373142.db2.gz ZNTBTYSNPVXTPG-UHFFFAOYSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@@H+](C(C)C)C2COC2)sn1 ZINC000660648925 411373145 /nfs/dbraw/zinc/37/31/45/411373145.db2.gz ZNTBTYSNPVXTPG-UHFFFAOYSA-N 1 2 242.344 1.761 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC(C)(C)C1 ZINC000662119312 411362822 /nfs/dbraw/zinc/36/28/22/411362822.db2.gz NIWIAKWJEQHKAU-UHFFFAOYSA-N 1 2 236.319 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC(C)(C)C1 ZINC000662119312 411362825 /nfs/dbraw/zinc/36/28/25/411362825.db2.gz NIWIAKWJEQHKAU-UHFFFAOYSA-N 1 2 236.319 1.740 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1nncs1 ZINC000656768036 411363677 /nfs/dbraw/zinc/36/36/77/411363677.db2.gz IYFHLCXTTOKZJO-UHFFFAOYSA-N 1 2 223.305 1.928 20 0 BDADLO CCC1(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)CC1 ZINC000371853317 411334348 /nfs/dbraw/zinc/33/43/48/411334348.db2.gz NDXAKCZYOHNEBQ-NSHDSACASA-N 1 2 247.342 1.813 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C)S1 ZINC000069909017 411343912 /nfs/dbraw/zinc/34/39/12/411343912.db2.gz HZGMDGQYTGDOEV-AOOOYVTPSA-N 1 2 238.356 1.904 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000232777296 168001730 /nfs/dbraw/zinc/00/17/30/168001730.db2.gz MRBFUWCBVGXQHB-WDSKDSINSA-N 1 2 242.710 1.284 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000232777296 168001733 /nfs/dbraw/zinc/00/17/33/168001733.db2.gz MRBFUWCBVGXQHB-WDSKDSINSA-N 1 2 242.710 1.284 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000125803779 168059503 /nfs/dbraw/zinc/05/95/03/168059503.db2.gz PJLBFCWJRLXQIG-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CC1(O)CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000161209729 168066863 /nfs/dbraw/zinc/06/68/63/168066863.db2.gz IIJIYRYTPQMUEG-UHFFFAOYSA-N 1 2 245.273 1.625 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(C)=C(C)C2)o1 ZINC000280695008 168084148 /nfs/dbraw/zinc/08/41/48/168084148.db2.gz HYEQWDJBILIZCS-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(C)=C(C)C2)o1 ZINC000280695008 168084149 /nfs/dbraw/zinc/08/41/49/168084149.db2.gz HYEQWDJBILIZCS-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC=C(C)C2)on1 ZINC000280708050 168098974 /nfs/dbraw/zinc/09/89/74/168098974.db2.gz DCPYLBZYIOYQJF-NSHDSACASA-N 1 2 249.314 1.962 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC=C(C)C2)on1 ZINC000280708050 168098977 /nfs/dbraw/zinc/09/89/77/168098977.db2.gz DCPYLBZYIOYQJF-NSHDSACASA-N 1 2 249.314 1.962 20 0 BDADLO COc1ccc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000654369994 411379429 /nfs/dbraw/zinc/37/94/29/411379429.db2.gz VFTUODWTOQBGFX-UHFFFAOYSA-N 1 2 249.270 1.305 20 0 BDADLO CC1=CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000287572948 168105580 /nfs/dbraw/zinc/10/55/80/168105580.db2.gz FTROBZIJDIXXMK-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO CC1=CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000281339053 168105873 /nfs/dbraw/zinc/10/58/73/168105873.db2.gz VXSWSVVOMWZANZ-UHFFFAOYSA-N 1 2 233.315 1.531 20 0 BDADLO CC1=CC[N@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000276909691 168117661 /nfs/dbraw/zinc/11/76/61/168117661.db2.gz FNKQQAVGRHLCRO-SNVBAGLBSA-N 1 2 233.319 1.721 20 0 BDADLO CC1=CC[N@@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000276909691 168117665 /nfs/dbraw/zinc/11/76/65/168117665.db2.gz FNKQQAVGRHLCRO-SNVBAGLBSA-N 1 2 233.319 1.721 20 0 BDADLO CC1=CC[N@H+]([C@@H](C)c2nncn2C)CC1 ZINC000287687485 168118157 /nfs/dbraw/zinc/11/81/57/168118157.db2.gz IMGXOPJYBAWSNL-JTQLQIEISA-N 1 2 206.293 1.528 20 0 BDADLO CC1=CC[N@@H+]([C@@H](C)c2nncn2C)CC1 ZINC000287687485 168118158 /nfs/dbraw/zinc/11/81/58/168118158.db2.gz IMGXOPJYBAWSNL-JTQLQIEISA-N 1 2 206.293 1.528 20 0 BDADLO CC1CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000336437384 168190299 /nfs/dbraw/zinc/19/02/99/168190299.db2.gz QFBPZFSNZWJFJE-UHFFFAOYSA-N 1 2 215.256 1.426 20 0 BDADLO CCC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000171257734 168210136 /nfs/dbraw/zinc/21/01/36/168210136.db2.gz BNIJBDOLEUOGEJ-UHFFFAOYSA-N 1 2 236.300 1.435 20 0 BDADLO CCC(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000279118619 168210234 /nfs/dbraw/zinc/21/02/34/168210234.db2.gz UAFLUPUSTBBMBC-UHFFFAOYSA-N 1 2 225.317 1.692 20 0 BDADLO CCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122988090 168222409 /nfs/dbraw/zinc/22/24/09/168222409.db2.gz HYXQAJUCQAHUEL-GHMZBOCLSA-N 1 2 221.304 1.703 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000132119357 168225904 /nfs/dbraw/zinc/22/59/04/168225904.db2.gz NNOAQJWBZPQQSA-JTQLQIEISA-N 1 2 234.303 1.208 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000654383748 411383856 /nfs/dbraw/zinc/38/38/56/411383856.db2.gz BXHPNZMVZJURQK-JOYOIKCWSA-N 1 2 218.300 1.971 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355092675 168264497 /nfs/dbraw/zinc/26/44/97/168264497.db2.gz WKIZDEBYEPKLQY-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355092675 168264501 /nfs/dbraw/zinc/26/45/01/168264501.db2.gz WKIZDEBYEPKLQY-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334193972 168267870 /nfs/dbraw/zinc/26/78/70/168267870.db2.gz JHXJNHWOTJXHKO-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334193972 168267873 /nfs/dbraw/zinc/26/78/73/168267873.db2.gz JHXJNHWOTJXHKO-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO CCC(C)(C)CNC(=O)NCc1[nH+]ccn1C ZINC000277700807 168279394 /nfs/dbraw/zinc/27/93/94/168279394.db2.gz RHPNOCXYFZKESF-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccnn2C)[nH]c1C ZINC000657307909 411460067 /nfs/dbraw/zinc/46/00/67/411460067.db2.gz VALHUGPSKWRIAZ-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cc1[nH]c(CNCc2ccnn2C)[nH+]c1C ZINC000657307909 411460068 /nfs/dbraw/zinc/46/00/68/411460068.db2.gz VALHUGPSKWRIAZ-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC(C)(C)C ZINC000657028512 411394496 /nfs/dbraw/zinc/39/44/96/411394496.db2.gz QYZOVJQWSSEQIW-UHFFFAOYSA-N 1 2 245.348 1.217 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC(C)(C)C ZINC000657028512 411394498 /nfs/dbraw/zinc/39/44/98/411394498.db2.gz QYZOVJQWSSEQIW-UHFFFAOYSA-N 1 2 245.348 1.217 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000659957546 411399690 /nfs/dbraw/zinc/39/96/90/411399690.db2.gz UNZMCODDCOMFNW-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000659957546 411399692 /nfs/dbraw/zinc/39/96/92/411399692.db2.gz UNZMCODDCOMFNW-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000408463620 411402543 /nfs/dbraw/zinc/40/25/43/411402543.db2.gz DGMUUMSKZSVVKY-VIFPVBQESA-N 1 2 236.319 1.287 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000408463620 411402546 /nfs/dbraw/zinc/40/25/46/411402546.db2.gz DGMUUMSKZSVVKY-VIFPVBQESA-N 1 2 236.319 1.287 20 0 BDADLO CC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654591024 411415440 /nfs/dbraw/zinc/41/54/40/411415440.db2.gz QJTUWEVPFALFAO-UHFFFAOYSA-N 1 2 212.337 1.491 20 0 BDADLO COC[C@@H](CSc1nc(N)cc(C)[nH+]1)OC ZINC000657236229 411424050 /nfs/dbraw/zinc/42/40/50/411424050.db2.gz GVWBVZPNOGGWJF-QMMMGPOBSA-N 1 2 243.332 1.121 20 0 BDADLO C[C@H](NC(=O)NC[C@@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000660344846 411424256 /nfs/dbraw/zinc/42/42/56/411424256.db2.gz ZZERHNITHQDTDI-UTLUCORTSA-N 1 2 236.319 1.436 20 0 BDADLO CC(C)(C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271289574 411429672 /nfs/dbraw/zinc/42/96/72/411429672.db2.gz FKXYSKHYJIEJNZ-UHFFFAOYSA-N 1 2 244.298 1.796 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)sn1 ZINC000659821550 411462888 /nfs/dbraw/zinc/46/28/88/411462888.db2.gz OFKICZIWLMBEDY-DTWKUNHWSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)sn1 ZINC000659821550 411462891 /nfs/dbraw/zinc/46/28/91/411462891.db2.gz OFKICZIWLMBEDY-DTWKUNHWSA-N 1 2 242.344 1.761 20 0 BDADLO COC(=O)C[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000271594200 411431631 /nfs/dbraw/zinc/43/16/31/411431631.db2.gz GOEYMFJJYVHFDS-UHFFFAOYSA-N 1 2 237.303 1.071 20 0 BDADLO COC(=O)C[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000271594200 411431634 /nfs/dbraw/zinc/43/16/34/411431634.db2.gz GOEYMFJJYVHFDS-UHFFFAOYSA-N 1 2 237.303 1.071 20 0 BDADLO Cc1cnccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000654758303 411440185 /nfs/dbraw/zinc/44/01/85/411440185.db2.gz SPAQKMCQHXWHIQ-LLVKDONJSA-N 1 2 233.315 1.091 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660372062 411442171 /nfs/dbraw/zinc/44/21/71/411442171.db2.gz VOFHLGBMCBMAOZ-LLVKDONJSA-N 1 2 222.336 1.715 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660372062 411442172 /nfs/dbraw/zinc/44/21/72/411442172.db2.gz VOFHLGBMCBMAOZ-LLVKDONJSA-N 1 2 222.336 1.715 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](C)C(=O)NC(C)(C)C)n1 ZINC000657336563 411471387 /nfs/dbraw/zinc/47/13/87/411471387.db2.gz TYNXDXXBWLISSS-SECBINFHSA-N 1 2 238.335 1.111 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cn(C)cn1 ZINC000659840387 411472606 /nfs/dbraw/zinc/47/26/06/411472606.db2.gz FDMUZIQOZRMVOO-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cn(C)cn1 ZINC000659840387 411472610 /nfs/dbraw/zinc/47/26/10/411472610.db2.gz FDMUZIQOZRMVOO-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1nc(C)oc1C ZINC000659844151 411473179 /nfs/dbraw/zinc/47/31/79/411473179.db2.gz JTGIEXOQIUAWKA-UHFFFAOYSA-N 1 2 239.319 1.379 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1nc(C)oc1C ZINC000659844151 411473181 /nfs/dbraw/zinc/47/31/81/411473181.db2.gz JTGIEXOQIUAWKA-UHFFFAOYSA-N 1 2 239.319 1.379 20 0 BDADLO Cc1nocc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000295440421 411478023 /nfs/dbraw/zinc/47/80/23/411478023.db2.gz ULKJNJFPHXGDIW-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nocc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000295440421 411478026 /nfs/dbraw/zinc/47/80/26/411478026.db2.gz ULKJNJFPHXGDIW-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1cscn1 ZINC000659857663 411480297 /nfs/dbraw/zinc/48/02/97/411480297.db2.gz MNAUIGOQCLYLEA-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1cscn1 ZINC000659857663 411480299 /nfs/dbraw/zinc/48/02/99/411480299.db2.gz MNAUIGOQCLYLEA-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](CO)c2ccc(F)cc2)n1 ZINC000657365931 411481866 /nfs/dbraw/zinc/48/18/66/411481866.db2.gz KUTPDTCQMBLTKQ-GFCCVEGCSA-N 1 2 249.289 1.680 20 0 BDADLO CC(C)(NC(=O)C[NH+]1CC(C)(C)C1)C(F)F ZINC000655040924 411483068 /nfs/dbraw/zinc/48/30/68/411483068.db2.gz KRMQUMBZIVMCTA-UHFFFAOYSA-N 1 2 234.290 1.488 20 0 BDADLO Cn1cnc(C[N@H+](C)[C@H](CO)c2ccccc2)c1 ZINC000659875594 411487103 /nfs/dbraw/zinc/48/71/03/411487103.db2.gz OEQHTZSIZCCBEB-CQSZACIVSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1cnc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1 ZINC000659875594 411487106 /nfs/dbraw/zinc/48/71/06/411487106.db2.gz OEQHTZSIZCCBEB-CQSZACIVSA-N 1 2 245.326 1.586 20 0 BDADLO CO[C@H](C[N@H+](C)CC(F)F)C1CCC1 ZINC000659880090 411488591 /nfs/dbraw/zinc/48/85/91/411488591.db2.gz XZJAHUKLGZLKFZ-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@H](C[N@@H+](C)CC(F)F)C1CCC1 ZINC000659880090 411488592 /nfs/dbraw/zinc/48/85/92/411488592.db2.gz XZJAHUKLGZLKFZ-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1CCc1cnn[nH]1 ZINC000659906227 411493959 /nfs/dbraw/zinc/49/39/59/411493959.db2.gz GWOSHUQIHJZYDE-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1CCc1cnn[nH]1 ZINC000659906227 411493964 /nfs/dbraw/zinc/49/39/64/411493964.db2.gz GWOSHUQIHJZYDE-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCc2ccccc2C1 ZINC000647955165 411495668 /nfs/dbraw/zinc/49/56/68/411495668.db2.gz BTNCTNQADPJQGN-UHFFFAOYSA-N 1 2 228.299 1.406 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCc2ccccc2C1 ZINC000647955165 411495671 /nfs/dbraw/zinc/49/56/71/411495671.db2.gz BTNCTNQADPJQGN-UHFFFAOYSA-N 1 2 228.299 1.406 20 0 BDADLO COc1ccc(NCc2[nH]cc(C)[nH+]2)nc1 ZINC000657401340 411496753 /nfs/dbraw/zinc/49/67/53/411496753.db2.gz BRJYCQWWRCFKDI-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000657403613 411497051 /nfs/dbraw/zinc/49/70/51/411497051.db2.gz XUPYIMKQFIIORV-YUMQZZPRSA-N 1 2 225.317 1.322 20 0 BDADLO CCc1noc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000657403613 411497054 /nfs/dbraw/zinc/49/70/54/411497054.db2.gz XUPYIMKQFIIORV-YUMQZZPRSA-N 1 2 225.317 1.322 20 0 BDADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1cc[nH]n1 ZINC000659921752 411498798 /nfs/dbraw/zinc/49/87/98/411498798.db2.gz VAEYWCMZWNOMLQ-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1cc[nH]n1 ZINC000659921752 411498801 /nfs/dbraw/zinc/49/88/01/411498801.db2.gz VAEYWCMZWNOMLQ-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C ZINC000655126603 411499703 /nfs/dbraw/zinc/49/97/03/411499703.db2.gz ILVNVKVIWPTIMP-RKDXNWHRSA-N 1 2 207.277 1.175 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccc(OC)o1 ZINC000655125202 411499709 /nfs/dbraw/zinc/49/97/09/411499709.db2.gz XNZBSCVDXCNVIF-UHFFFAOYSA-N 1 2 249.270 1.435 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C(C)(C)CO)c2[nH+]ccn21 ZINC000655134858 411501972 /nfs/dbraw/zinc/50/19/72/411501972.db2.gz QQBRSRJDRDTFRP-DTWKUNHWSA-N 1 2 237.303 1.024 20 0 BDADLO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000655134787 411502083 /nfs/dbraw/zinc/50/20/83/411502083.db2.gz NRZIPGDMIISNCL-RKDXNWHRSA-N 1 2 245.286 1.350 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CC[C@H](C)O)[nH]1 ZINC000659957131 411512641 /nfs/dbraw/zinc/51/26/41/411512641.db2.gz PMJRUOXDCATSEV-IUCAKERBSA-N 1 2 226.324 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CC[C@H](C)O)[nH]1 ZINC000659957131 411512644 /nfs/dbraw/zinc/51/26/44/411512644.db2.gz PMJRUOXDCATSEV-IUCAKERBSA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)n1ccnc1C[NH2+]Cc1ncccc1O ZINC000657452851 411515027 /nfs/dbraw/zinc/51/50/27/411515027.db2.gz LHLKCHDRTVOWDS-UHFFFAOYSA-N 1 2 246.314 1.854 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H]1CNC(=O)C1)C(F)(F)F ZINC000660083775 411535409 /nfs/dbraw/zinc/53/54/09/411535409.db2.gz RHINSTIQNQZPIJ-IONNQARKSA-N 1 2 238.253 1.443 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](OC)C2)[nH]1 ZINC000659986760 411521632 /nfs/dbraw/zinc/52/16/32/411521632.db2.gz QAHAUYZTHQBNHG-BDAKNGLRSA-N 1 2 224.308 1.149 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@H](OC)C2)[nH]1 ZINC000659986760 411521634 /nfs/dbraw/zinc/52/16/34/411521634.db2.gz QAHAUYZTHQBNHG-BDAKNGLRSA-N 1 2 224.308 1.149 20 0 BDADLO CC[NH+]1CCN(C(=O)c2conc2C2CC2)CC1 ZINC000281080402 169988085 /nfs/dbraw/zinc/98/80/85/169988085.db2.gz COASJQQMSBMXJZ-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO FC1(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)CC1 ZINC000655818274 411525910 /nfs/dbraw/zinc/52/59/10/411525910.db2.gz LLAKKZRGPSBSTB-QMMMGPOBSA-N 1 2 240.282 1.248 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H]1CNC(=O)C1)C(F)(F)F ZINC000660083776 411535248 /nfs/dbraw/zinc/53/52/48/411535248.db2.gz RHINSTIQNQZPIJ-VXNVDRBHSA-N 1 2 238.253 1.443 20 0 BDADLO CCN1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1=O ZINC000291063839 169998433 /nfs/dbraw/zinc/99/84/33/169998433.db2.gz DIKVFXWRZQBSJD-ZIAGYGMSSA-N 1 2 244.338 1.707 20 0 BDADLO CCN1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1=O ZINC000291063839 169998434 /nfs/dbraw/zinc/99/84/34/169998434.db2.gz DIKVFXWRZQBSJD-ZIAGYGMSSA-N 1 2 244.338 1.707 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000355767017 170035087 /nfs/dbraw/zinc/03/50/87/170035087.db2.gz LUCJJEXCDKOIPP-IHRRRGAJSA-N 1 2 240.391 1.875 20 0 BDADLO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cocn1 ZINC000657527769 411541123 /nfs/dbraw/zinc/54/11/23/411541123.db2.gz YOTIIZDYAACZBE-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO CCNC(=O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000368396651 170060017 /nfs/dbraw/zinc/06/00/17/170060017.db2.gz FTAMPMBROVOYIY-VIFPVBQESA-N 1 2 239.344 1.416 20 0 BDADLO CCNC(=O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC000368396651 170060018 /nfs/dbraw/zinc/06/00/18/170060018.db2.gz FTAMPMBROVOYIY-VIFPVBQESA-N 1 2 239.344 1.416 20 0 BDADLO CCNC(=O)C[NH2+]Cc1cccc(O)c1Cl ZINC000328406790 170064758 /nfs/dbraw/zinc/06/47/58/170064758.db2.gz WWEIWLSTPDHFSA-UHFFFAOYSA-N 1 2 242.706 1.271 20 0 BDADLO CCNC(=O)CSc1[nH+]cc2ccccn21 ZINC000025136078 170069392 /nfs/dbraw/zinc/06/93/92/170069392.db2.gz YZMJEPHSKXIGJI-UHFFFAOYSA-N 1 2 235.312 1.563 20 0 BDADLO CCC[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000660132272 411543573 /nfs/dbraw/zinc/54/35/73/411543573.db2.gz HZXIUBGUJXBODF-QWRGUYRKSA-N 1 2 249.301 1.912 20 0 BDADLO CCC[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000660132272 411543575 /nfs/dbraw/zinc/54/35/75/411543575.db2.gz HZXIUBGUJXBODF-QWRGUYRKSA-N 1 2 249.301 1.912 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000660137011 411543639 /nfs/dbraw/zinc/54/36/39/411543639.db2.gz PDVOGZLCYLBAKU-JTQLQIEISA-N 1 2 243.257 1.192 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@H+]1CCc2n[nH]cc2C1 ZINC000660137011 411543641 /nfs/dbraw/zinc/54/36/41/411543641.db2.gz PDVOGZLCYLBAKU-JTQLQIEISA-N 1 2 243.257 1.192 20 0 BDADLO CN(Cc1cc(C2CC2)no1)Cc1[nH+]ccn1C ZINC000660138799 411543667 /nfs/dbraw/zinc/54/36/67/411543667.db2.gz YDQBOBJUXQJUOR-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO CCNC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000152506552 170074311 /nfs/dbraw/zinc/07/43/11/170074311.db2.gz BVFURSSUTRSGAN-SNVBAGLBSA-N 1 2 249.318 1.001 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000036915651 170089423 /nfs/dbraw/zinc/08/94/23/170089423.db2.gz MZFQVOGFSNCQLV-HTQZYQBOSA-N 1 2 241.360 1.627 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000294169532 170095935 /nfs/dbraw/zinc/09/59/35/170095935.db2.gz RGDWHFTYAPGDJK-GUBZILKMSA-N 1 2 236.319 1.003 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660144936 411545640 /nfs/dbraw/zinc/54/56/40/411545640.db2.gz IXHNFQWUQIMAGS-SECBINFHSA-N 1 2 249.314 1.262 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000660144936 411545642 /nfs/dbraw/zinc/54/56/42/411545642.db2.gz IXHNFQWUQIMAGS-SECBINFHSA-N 1 2 249.314 1.262 20 0 BDADLO COC[C@@H](C[N@@H+]1CCC[C@H]1C(F)F)OC ZINC000660147356 411546616 /nfs/dbraw/zinc/54/66/16/411546616.db2.gz FBWVMFHNVMTJMD-BDAKNGLRSA-N 1 2 223.263 1.377 20 0 BDADLO COC[C@@H](C[N@H+]1CCC[C@H]1C(F)F)OC ZINC000660147356 411546617 /nfs/dbraw/zinc/54/66/17/411546617.db2.gz FBWVMFHNVMTJMD-BDAKNGLRSA-N 1 2 223.263 1.377 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC1(OC)CCC1 ZINC000338963508 170186927 /nfs/dbraw/zinc/18/69/27/170186927.db2.gz ZMRIPETVENCAJT-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCOC(=O)CC[NH2+]C(C)(C)c1noc(C)n1 ZINC000266713955 170208769 /nfs/dbraw/zinc/20/87/69/170208769.db2.gz FROYQKVSFQPVIO-UHFFFAOYSA-N 1 2 241.291 1.156 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1cccnc1 ZINC000063224108 170214414 /nfs/dbraw/zinc/21/44/14/170214414.db2.gz JCMHZJGNTSQDHA-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1cccnc1 ZINC000063224108 170214415 /nfs/dbraw/zinc/21/44/15/170214415.db2.gz JCMHZJGNTSQDHA-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCOC(=O)C[N@H+](C)CCC(C)(C)C(=O)OC ZINC000338543775 170215225 /nfs/dbraw/zinc/21/52/25/170215225.db2.gz DSMGVKXIHFQZSJ-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCC(C)(C)C(=O)OC ZINC000338543775 170215227 /nfs/dbraw/zinc/21/52/27/170215227.db2.gz DSMGVKXIHFQZSJ-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000109834461 170216055 /nfs/dbraw/zinc/21/60/55/170216055.db2.gz NZBVXAMAGKEPQV-SNVBAGLBSA-N 1 2 222.288 1.638 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000109834461 170216056 /nfs/dbraw/zinc/21/60/56/170216056.db2.gz NZBVXAMAGKEPQV-SNVBAGLBSA-N 1 2 222.288 1.638 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000369671875 170219168 /nfs/dbraw/zinc/21/91/68/170219168.db2.gz WKBPYAYMARVMLW-ZDUSSCGKSA-N 1 2 241.331 1.585 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000369671875 170219169 /nfs/dbraw/zinc/21/91/69/170219169.db2.gz WKBPYAYMARVMLW-ZDUSSCGKSA-N 1 2 241.331 1.585 20 0 BDADLO CCOC(=O)CN1CCC[C@@H]1c1[nH+]ccn1C ZINC000373179285 170219174 /nfs/dbraw/zinc/21/91/74/170219174.db2.gz YKRRBOQHNLYBBM-SNVBAGLBSA-N 1 2 237.303 1.120 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289470838 170219596 /nfs/dbraw/zinc/21/95/96/170219596.db2.gz ZALIKUFSHRBXHM-UHFFFAOYSA-N 1 2 246.310 1.734 20 0 BDADLO CCOC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289470838 170219598 /nfs/dbraw/zinc/21/95/98/170219598.db2.gz ZALIKUFSHRBXHM-UHFFFAOYSA-N 1 2 246.310 1.734 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000368486611 170226974 /nfs/dbraw/zinc/22/69/74/170226974.db2.gz CCBOGDZFLBASIT-LBPRGKRZSA-N 1 2 249.310 1.533 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](CC)Cc1ccncc1 ZINC000043638772 170246700 /nfs/dbraw/zinc/24/67/00/170246700.db2.gz YTGLERCRUBHUNQ-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](CC)Cc1ccncc1 ZINC000043638772 170246701 /nfs/dbraw/zinc/24/67/01/170246701.db2.gz YTGLERCRUBHUNQ-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660245142 411558931 /nfs/dbraw/zinc/55/89/31/411558931.db2.gz OEWOIIVEZRPHCD-IUCAKERBSA-N 1 2 224.308 1.579 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1nccs1 ZINC000157703357 170265371 /nfs/dbraw/zinc/26/53/71/170265371.db2.gz KVEARSKCNNBRFD-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1nccs1 ZINC000157703357 170265373 /nfs/dbraw/zinc/26/53/73/170265373.db2.gz KVEARSKCNNBRFD-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000300357604 170268114 /nfs/dbraw/zinc/26/81/14/170268114.db2.gz HRNIOWGJMNIJGW-AEJSXWLSSA-N 1 2 229.320 1.341 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000657608036 411561747 /nfs/dbraw/zinc/56/17/47/411561747.db2.gz RAYOZIFAVAQFOX-VHSXEESVSA-N 1 2 238.335 1.619 20 0 BDADLO CC[N@H+](CC(F)F)C[C@H](OC)[C@H]1CCOC1 ZINC000660274383 411563263 /nfs/dbraw/zinc/56/32/63/411563263.db2.gz QKHXAWSEEZQFOG-UWVGGRQHSA-N 1 2 237.290 1.625 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@H](OC)[C@H]1CCOC1 ZINC000660274383 411563264 /nfs/dbraw/zinc/56/32/64/411563264.db2.gz QKHXAWSEEZQFOG-UWVGGRQHSA-N 1 2 237.290 1.625 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191055793 170279925 /nfs/dbraw/zinc/27/99/25/170279925.db2.gz ILOPAZWWFBAKFD-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191055793 170279927 /nfs/dbraw/zinc/27/99/27/170279927.db2.gz ILOPAZWWFBAKFD-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccncc1C ZINC000295442606 170281729 /nfs/dbraw/zinc/28/17/29/170281729.db2.gz PMYOIVHXKSERBK-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccncc1C ZINC000295442606 170281731 /nfs/dbraw/zinc/28/17/31/170281731.db2.gz PMYOIVHXKSERBK-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCn1ccc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000657615920 411563915 /nfs/dbraw/zinc/56/39/15/411563915.db2.gz JHJAKADSYWODLQ-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO CCOC1(C[NH2+][C@H](CC)C(=O)OC)CCCC1 ZINC000310552074 170319948 /nfs/dbraw/zinc/31/99/48/170319948.db2.gz GSNXUTSAAFCVLA-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CCOC1C[NH+](Cc2ccccc2OC)C1 ZINC000297437269 170336836 /nfs/dbraw/zinc/33/68/36/170336836.db2.gz NUMIXYBGXZAIRK-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCOC1C[NH+](Cc2cnn3ccccc23)C1 ZINC000297430365 170337233 /nfs/dbraw/zinc/33/72/33/170337233.db2.gz NGCJYHRILIHPOW-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CCOCC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000361697522 170340474 /nfs/dbraw/zinc/34/04/74/170340474.db2.gz YNPMDFUNXLNMOJ-SNVBAGLBSA-N 1 2 237.303 1.120 20 0 BDADLO CCOCC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000290173029 170351083 /nfs/dbraw/zinc/35/10/83/170351083.db2.gz QEGXZEFAKVCLRW-UHFFFAOYSA-N 1 2 239.319 1.511 20 0 BDADLO CCOCC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000293803747 170352967 /nfs/dbraw/zinc/35/29/67/170352967.db2.gz DOYVPIWTZITKPR-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCOCCCCNc1nc[nH+]c(N)c1Cl ZINC000277624613 170371286 /nfs/dbraw/zinc/37/12/86/170371286.db2.gz WQYKCKZUJSZSOW-UHFFFAOYSA-N 1 2 244.726 1.941 20 0 BDADLO CCOCCCCNc1[nH+]cnc(N)c1Cl ZINC000277624613 170371287 /nfs/dbraw/zinc/37/12/87/170371287.db2.gz WQYKCKZUJSZSOW-UHFFFAOYSA-N 1 2 244.726 1.941 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(C)o1 ZINC000660324351 411569219 /nfs/dbraw/zinc/56/92/19/411569219.db2.gz JVCWOMJQGOWMOL-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](n3cncn3)C2)c(C)o1 ZINC000660324351 411569220 /nfs/dbraw/zinc/56/92/20/411569220.db2.gz JVCWOMJQGOWMOL-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO CCOCC[N@H+](C)Cc1ccoc1C(=O)OC ZINC000093315115 170390408 /nfs/dbraw/zinc/39/04/08/170390408.db2.gz HFTAPAGELGJXCQ-UHFFFAOYSA-N 1 2 241.287 1.535 20 0 BDADLO CCOCC[N@@H+](C)Cc1ccoc1C(=O)OC ZINC000093315115 170390410 /nfs/dbraw/zinc/39/04/10/170390410.db2.gz HFTAPAGELGJXCQ-UHFFFAOYSA-N 1 2 241.287 1.535 20 0 BDADLO CCOCCN(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000287489069 170392793 /nfs/dbraw/zinc/39/27/93/170392793.db2.gz GSZYXHRVHJPFGR-UHFFFAOYSA-N 1 2 239.319 1.227 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncccn1 ZINC000192014963 170396704 /nfs/dbraw/zinc/39/67/04/170396704.db2.gz RZDNDGWKCZZQQZ-UHFFFAOYSA-N 1 2 209.293 1.335 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncccn1 ZINC000192014963 170396706 /nfs/dbraw/zinc/39/67/06/170396706.db2.gz RZDNDGWKCZZQQZ-UHFFFAOYSA-N 1 2 209.293 1.335 20 0 BDADLO OCC1([N@H+](CC(F)F)C2CC2)CCC1 ZINC000660772145 411624606 /nfs/dbraw/zinc/62/46/06/411624606.db2.gz XKBJCTDWVQACPK-UHFFFAOYSA-N 1 2 205.248 1.631 20 0 BDADLO OCC1([N@@H+](CC(F)F)C2CC2)CCC1 ZINC000660772145 411624611 /nfs/dbraw/zinc/62/46/11/411624611.db2.gz XKBJCTDWVQACPK-UHFFFAOYSA-N 1 2 205.248 1.631 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)s1 ZINC000660781553 411629323 /nfs/dbraw/zinc/62/93/23/411629323.db2.gz UULORSIXVRJXHY-ZJUUUORDSA-N 1 2 239.344 1.457 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)s1 ZINC000660781553 411629327 /nfs/dbraw/zinc/62/93/27/411629327.db2.gz UULORSIXVRJXHY-ZJUUUORDSA-N 1 2 239.344 1.457 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2ccn(C)n2)on1 ZINC000660780343 411629339 /nfs/dbraw/zinc/62/93/39/411629339.db2.gz LZDJQRRTXFQMHP-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000660441513 411585062 /nfs/dbraw/zinc/58/50/62/411585062.db2.gz FQWDDWAOBJNJGI-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000660441513 411585064 /nfs/dbraw/zinc/58/50/64/411585064.db2.gz FQWDDWAOBJNJGI-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000660441513 411585066 /nfs/dbraw/zinc/58/50/66/411585066.db2.gz FQWDDWAOBJNJGI-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)co1 ZINC000660445769 411585925 /nfs/dbraw/zinc/58/59/25/411585925.db2.gz NVNOJDUQQBBSBV-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)co1 ZINC000660445769 411585926 /nfs/dbraw/zinc/58/59/26/411585926.db2.gz NVNOJDUQQBBSBV-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@](F)(CO)C2)sn1 ZINC000660490256 411594107 /nfs/dbraw/zinc/59/41/07/411594107.db2.gz ZFAPGYFGWCHYQU-SNVBAGLBSA-N 1 2 246.307 1.058 20 0 BDADLO COc1cc(C[N@H+]2CC[C@](F)(CO)C2)sn1 ZINC000660490256 411594108 /nfs/dbraw/zinc/59/41/08/411594108.db2.gz ZFAPGYFGWCHYQU-SNVBAGLBSA-N 1 2 246.307 1.058 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@@H]2CC(F)F)c1 ZINC000660547528 411597889 /nfs/dbraw/zinc/59/78/89/411597889.db2.gz YUTPRSZGCKENMY-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cnc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000660561835 411600272 /nfs/dbraw/zinc/60/02/72/411600272.db2.gz BPXFRGIRZHWASD-OLZOCXBDSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1cnc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000660561835 411600274 /nfs/dbraw/zinc/60/02/74/411600274.db2.gz BPXFRGIRZHWASD-OLZOCXBDSA-N 1 2 249.358 1.810 20 0 BDADLO CC(C)c1nnc(CN2CCn3c[nH+]cc3C2)o1 ZINC000660577074 411602833 /nfs/dbraw/zinc/60/28/33/411602833.db2.gz FCQPTWBNKJFEHV-UHFFFAOYSA-N 1 2 247.302 1.405 20 0 BDADLO C[C@@H](c1cnccn1)N1CCn2c[nH+]cc2C1 ZINC000660581639 411603093 /nfs/dbraw/zinc/60/30/93/411603093.db2.gz HSPPQLGQCJRGCA-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO c1[nH+]cn2c1CN(CCOCC1CC1)CC2 ZINC000660577065 411603397 /nfs/dbraw/zinc/60/33/97/411603397.db2.gz FBAPWZGPHVBPJW-UHFFFAOYSA-N 1 2 221.304 1.125 20 0 BDADLO CCc1nc(C)c(CN2CCn3c[nH+]cc3C2)o1 ZINC000660584970 411603792 /nfs/dbraw/zinc/60/37/92/411603792.db2.gz WGQGGCUHGUQCJN-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO c1[nH+]cn2c1CN(Cc1cc(C3CC3)no1)CC2 ZINC000660584273 411604238 /nfs/dbraw/zinc/60/42/38/411604238.db2.gz RQYRQRPUNNISIT-UHFFFAOYSA-N 1 2 244.298 1.764 20 0 BDADLO CC[N@H+](Cc1coc(C)n1)[C@H]1CCOC1 ZINC000660596415 411605245 /nfs/dbraw/zinc/60/52/45/411605245.db2.gz MHGGBUCMSKHJEC-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@@H+](Cc1coc(C)n1)[C@H]1CCOC1 ZINC000660596415 411605246 /nfs/dbraw/zinc/60/52/46/411605246.db2.gz MHGGBUCMSKHJEC-NSHDSACASA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H](NC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000660705778 411618679 /nfs/dbraw/zinc/61/86/79/411618679.db2.gz OUXPNQIZQYHRKD-SNVBAGLBSA-N 1 2 236.319 1.408 20 0 BDADLO CCO[C@@H]1CC[N@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660721252 411619028 /nfs/dbraw/zinc/61/90/28/411619028.db2.gz NNOZRVIKWHLNCW-CMPLNLGQSA-N 1 2 238.335 1.094 20 0 BDADLO CCO[C@@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660721252 411619029 /nfs/dbraw/zinc/61/90/29/411619029.db2.gz NNOZRVIKWHLNCW-CMPLNLGQSA-N 1 2 238.335 1.094 20 0 BDADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1cnc[nH]1 ZINC000661093536 411704793 /nfs/dbraw/zinc/70/47/93/411704793.db2.gz QRAKEVRZZSVMCS-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1cnc[nH]1 ZINC000661093536 411704795 /nfs/dbraw/zinc/70/47/95/411704795.db2.gz QRAKEVRZZSVMCS-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO C[N@H+](CCO[C@H]1CC1(F)F)Cc1c[nH]cn1 ZINC000661093536 411704799 /nfs/dbraw/zinc/70/47/99/411704799.db2.gz QRAKEVRZZSVMCS-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@H]1CC1(F)F)Cc1c[nH]cn1 ZINC000661093536 411704804 /nfs/dbraw/zinc/70/48/04/411704804.db2.gz QRAKEVRZZSVMCS-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000661111807 411712661 /nfs/dbraw/zinc/71/26/61/411712661.db2.gz DQHBCNHZAOIALF-WDEREUQCSA-N 1 2 234.303 1.350 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000661111807 411712665 /nfs/dbraw/zinc/71/26/65/411712665.db2.gz DQHBCNHZAOIALF-WDEREUQCSA-N 1 2 234.303 1.350 20 0 BDADLO Cc1cccc2[nH+]c(CCNC(=O)C(C)C)cn21 ZINC000071490786 411716260 /nfs/dbraw/zinc/71/62/60/411716260.db2.gz RZDHOABUCFTSOI-UHFFFAOYSA-N 1 2 245.326 1.957 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000660830911 411648443 /nfs/dbraw/zinc/64/84/43/411648443.db2.gz BXUYHMVIRCDJCU-GFCCVEGCSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000660830911 411648448 /nfs/dbraw/zinc/64/84/48/411648448.db2.gz BXUYHMVIRCDJCU-GFCCVEGCSA-N 1 2 234.347 1.859 20 0 BDADLO Cc1cc(NCC[C@H](O)C(F)F)nc[nH+]1 ZINC000631459878 411649905 /nfs/dbraw/zinc/64/99/05/411649905.db2.gz JMEROAYSZWAFDM-ZETCQYMHSA-N 1 2 217.219 1.213 20 0 BDADLO OCC[C@@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000660835426 411650372 /nfs/dbraw/zinc/65/03/72/411650372.db2.gz FTMQYWRARVLTJZ-SNVBAGLBSA-N 1 2 241.360 1.523 20 0 BDADLO OCC[C@@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000660835426 411650376 /nfs/dbraw/zinc/65/03/76/411650376.db2.gz FTMQYWRARVLTJZ-SNVBAGLBSA-N 1 2 241.360 1.523 20 0 BDADLO CC[C@@H]1C[NH+](Cc2cn(C)cn2)C[C@@H](CC)O1 ZINC000660833574 411650803 /nfs/dbraw/zinc/65/08/03/411650803.db2.gz OWVPYQAYDOEVIJ-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO COCCCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847607 411656441 /nfs/dbraw/zinc/65/64/41/411656441.db2.gz CJXSDRGTPWJYKC-UHFFFAOYSA-N 1 2 229.280 1.024 20 0 BDADLO COCCCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847607 411656444 /nfs/dbraw/zinc/65/64/44/411656444.db2.gz CJXSDRGTPWJYKC-UHFFFAOYSA-N 1 2 229.280 1.024 20 0 BDADLO C[N@H+](CCCC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660844596 411656690 /nfs/dbraw/zinc/65/66/90/411656690.db2.gz QKRNUQSKBRZULV-UHFFFAOYSA-N 1 2 225.292 1.787 20 0 BDADLO C[N@@H+](CCCC1CCC1)Cc1n[nH]c(=O)o1 ZINC000660844596 411656692 /nfs/dbraw/zinc/65/66/92/411656692.db2.gz QKRNUQSKBRZULV-UHFFFAOYSA-N 1 2 225.292 1.787 20 0 BDADLO CCn1nccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000663468776 411666935 /nfs/dbraw/zinc/66/69/35/411666935.db2.gz GPHSXVVHPDWFCV-NSHDSACASA-N 1 2 231.303 1.334 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000660911618 411669177 /nfs/dbraw/zinc/66/91/77/411669177.db2.gz FCBLWBHLIQSXPK-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000660911618 411669180 /nfs/dbraw/zinc/66/91/80/411669180.db2.gz FCBLWBHLIQSXPK-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CN(Cc2cn(C)c[nH+]2)[C@@H](C)CO1 ZINC000660911618 411669182 /nfs/dbraw/zinc/66/91/82/411669182.db2.gz FCBLWBHLIQSXPK-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CO[C@@H](C[N@@H+]1CCCC(F)(F)C1)[C@H]1CCOC1 ZINC000660913369 411670593 /nfs/dbraw/zinc/67/05/93/411670593.db2.gz SCYQJIUECFVYNQ-QWRGUYRKSA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@@H](C[N@H+]1CCCC(F)(F)C1)[C@H]1CCOC1 ZINC000660913369 411670597 /nfs/dbraw/zinc/67/05/97/411670597.db2.gz SCYQJIUECFVYNQ-QWRGUYRKSA-N 1 2 249.301 1.769 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1CC=CC1 ZINC000528117506 411680642 /nfs/dbraw/zinc/68/06/42/411680642.db2.gz ZGFJFVMWLVRKEY-UHFFFAOYSA-N 1 2 220.276 1.446 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1CC=CC1 ZINC000528117506 411680648 /nfs/dbraw/zinc/68/06/48/411680648.db2.gz ZGFJFVMWLVRKEY-UHFFFAOYSA-N 1 2 220.276 1.446 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933971 411683365 /nfs/dbraw/zinc/68/33/65/411683365.db2.gz ILDHNZNOUDXKMX-ONGXEEELSA-N 1 2 206.293 1.222 20 0 BDADLO c1nn[nH]c1CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933971 411683368 /nfs/dbraw/zinc/68/33/68/411683368.db2.gz ILDHNZNOUDXKMX-ONGXEEELSA-N 1 2 206.293 1.222 20 0 BDADLO CC(C)=CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661060841 411694420 /nfs/dbraw/zinc/69/44/20/411694420.db2.gz BDHKUCGKKDOPRE-SNVBAGLBSA-N 1 2 236.319 1.747 20 0 BDADLO CCCCc1nc(CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000661086561 411700181 /nfs/dbraw/zinc/70/01/81/411700181.db2.gz CMAMQZXPTAEDCO-UHFFFAOYSA-N 1 2 249.318 1.767 20 0 BDADLO CCCCc1nc(CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000661086561 411700185 /nfs/dbraw/zinc/70/01/85/411700185.db2.gz CMAMQZXPTAEDCO-UHFFFAOYSA-N 1 2 249.318 1.767 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)N(C)Cc1c[nH+]c[nH]1 ZINC000661087044 411700531 /nfs/dbraw/zinc/70/05/31/411700531.db2.gz MTJLDAXVLOAWRB-QMMMGPOBSA-N 1 2 247.302 1.863 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)N(C)Cc1c[nH]c[nH+]1 ZINC000661087044 411700536 /nfs/dbraw/zinc/70/05/36/411700536.db2.gz MTJLDAXVLOAWRB-QMMMGPOBSA-N 1 2 247.302 1.863 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CC[C@H](O)C1 ZINC000663543825 411700848 /nfs/dbraw/zinc/70/08/48/411700848.db2.gz RUYUFEHTXZIESM-VIFPVBQESA-N 1 2 229.283 1.388 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)n1 ZINC000661171283 411728911 /nfs/dbraw/zinc/72/89/11/411728911.db2.gz LWJFOWAAMAOGIP-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)n1 ZINC000661171283 411728913 /nfs/dbraw/zinc/72/89/13/411728913.db2.gz LWJFOWAAMAOGIP-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCCCF ZINC000661216888 411733732 /nfs/dbraw/zinc/73/37/32/411733732.db2.gz LYMKKSGENZUZDQ-UHFFFAOYSA-N 1 2 228.271 1.301 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCCCF ZINC000661216888 411733735 /nfs/dbraw/zinc/73/37/35/411733735.db2.gz LYMKKSGENZUZDQ-UHFFFAOYSA-N 1 2 228.271 1.301 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCOCC3)cc2[nH+]1 ZINC000071552017 411746164 /nfs/dbraw/zinc/74/61/64/411746164.db2.gz XFYRJKWCUAKBCW-UHFFFAOYSA-N 1 2 245.282 1.115 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ccc(C)nn1)CC2 ZINC000663788201 411747946 /nfs/dbraw/zinc/74/79/46/411747946.db2.gz XVRYERZMNUIDLO-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515394 411792504 /nfs/dbraw/zinc/79/25/04/411792504.db2.gz YFQPNIFPAUJWOZ-GZMMTYOYSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515394 411792508 /nfs/dbraw/zinc/79/25/08/411792508.db2.gz YFQPNIFPAUJWOZ-GZMMTYOYSA-N 1 2 222.263 1.446 20 0 BDADLO CCOc1cc(N2CCC(=O)[C@@H](C)C2)nc(C)[nH+]1 ZINC000663818523 411754129 /nfs/dbraw/zinc/75/41/29/411754129.db2.gz HLSNVJNVIMZZQZ-VIFPVBQESA-N 1 2 249.314 1.599 20 0 BDADLO CCc1cc(NCc2cnnn2CC)nc[nH+]1 ZINC000624424886 411768698 /nfs/dbraw/zinc/76/86/98/411768698.db2.gz WPVOYCSJESPMFL-UHFFFAOYSA-N 1 2 232.291 1.263 20 0 BDADLO O[C@H]1CC[N@H+](CC2CCC2)CC1(F)F ZINC000661401909 411768954 /nfs/dbraw/zinc/76/89/54/411768954.db2.gz SEWMEXYSJOCHGK-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO O[C@H]1CC[N@@H+](CC2CCC2)CC1(F)F ZINC000661401909 411768957 /nfs/dbraw/zinc/76/89/57/411768957.db2.gz SEWMEXYSJOCHGK-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO COCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661402505 411769095 /nfs/dbraw/zinc/76/90/95/411769095.db2.gz WGTSFPZGBHXRLP-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO COCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661402505 411769098 /nfs/dbraw/zinc/76/90/98/411769098.db2.gz WGTSFPZGBHXRLP-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO O[C@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(F)F ZINC000661413904 411770352 /nfs/dbraw/zinc/77/03/52/411770352.db2.gz PVXWZUMTNXGHNM-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(F)F ZINC000661413904 411770354 /nfs/dbraw/zinc/77/03/54/411770354.db2.gz PVXWZUMTNXGHNM-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000661443435 411771669 /nfs/dbraw/zinc/77/16/69/411771669.db2.gz QSBLJYXSMLUCPN-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000661443435 411771672 /nfs/dbraw/zinc/77/16/72/411771672.db2.gz QSBLJYXSMLUCPN-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO CNC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661432766 411773087 /nfs/dbraw/zinc/77/30/87/411773087.db2.gz DNQLXEMJDJUZMH-CYBMUJFWSA-N 1 2 248.326 1.943 20 0 BDADLO CNC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661432766 411773090 /nfs/dbraw/zinc/77/30/90/411773090.db2.gz DNQLXEMJDJUZMH-CYBMUJFWSA-N 1 2 248.326 1.943 20 0 BDADLO Cc1nccc(C[N@H+]2CC3(CCC3)OC[C@H]2C)n1 ZINC000661461004 411780667 /nfs/dbraw/zinc/78/06/67/411780667.db2.gz AZVMFPQUQDNIOR-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)n1 ZINC000661461004 411780669 /nfs/dbraw/zinc/78/06/69/411780669.db2.gz AZVMFPQUQDNIOR-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@@H]1C ZINC000663946363 411786303 /nfs/dbraw/zinc/78/63/03/411786303.db2.gz KHULNJDPUYMEDU-NXEZZACHSA-N 1 2 229.287 1.507 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661508950 411791421 /nfs/dbraw/zinc/79/14/21/411791421.db2.gz BUZKZCJHEIXLTG-NEPJUHHUSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661508950 411791423 /nfs/dbraw/zinc/79/14/23/411791423.db2.gz BUZKZCJHEIXLTG-NEPJUHHUSA-N 1 2 234.274 1.461 20 0 BDADLO CC[C@H](C)NC(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661554147 411801371 /nfs/dbraw/zinc/80/13/71/411801371.db2.gz QIOVQVCXEAFPSV-MXWKQRLJSA-N 1 2 240.347 1.058 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1CCc1ccccc1F ZINC000661562408 411803378 /nfs/dbraw/zinc/80/33/78/411803378.db2.gz QTIQHNYVTITOQH-GFCCVEGCSA-N 1 2 239.290 1.061 20 0 BDADLO OC[C@@H]1COCC[N@H+]1CCc1ccccc1F ZINC000661562408 411803381 /nfs/dbraw/zinc/80/33/81/411803381.db2.gz QTIQHNYVTITOQH-GFCCVEGCSA-N 1 2 239.290 1.061 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccn(C)n1 ZINC000492412569 411812017 /nfs/dbraw/zinc/81/20/17/411812017.db2.gz VWFOYYJOFSUVBJ-PLNGDYQASA-N 1 2 245.286 1.288 20 0 BDADLO O=C1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)CCN1 ZINC000664026505 411817717 /nfs/dbraw/zinc/81/77/17/411817717.db2.gz NKJVFJGJFVVZGF-JTQLQIEISA-N 1 2 246.314 1.435 20 0 BDADLO CCn1ncc(CNc2cc(C)[nH+]cn2)n1 ZINC000528072646 411821700 /nfs/dbraw/zinc/82/17/00/411821700.db2.gz ZASMJDKSHTWEQL-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BDADLO CCc1ncn(Cc2ccc[nH+]c2C)n1 ZINC000664041607 411824277 /nfs/dbraw/zinc/82/42/77/411824277.db2.gz PKMCJRGPMIKNTK-UHFFFAOYSA-N 1 2 202.261 1.592 20 0 BDADLO CCn1nncc1C[N@H+](C)CC1=CCCOC1 ZINC000661651951 411827864 /nfs/dbraw/zinc/82/78/64/411827864.db2.gz GXNODLJCCWWSNE-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1nncc1C[N@@H+](C)CC1=CCCOC1 ZINC000661651951 411827867 /nfs/dbraw/zinc/82/78/67/411827867.db2.gz GXNODLJCCWWSNE-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO Cc1nnsc1C[N@@H+](C)CC1=CCCOC1 ZINC000661653152 411830596 /nfs/dbraw/zinc/83/05/96/411830596.db2.gz PYFBWJMSCGONJJ-UHFFFAOYSA-N 1 2 239.344 1.625 20 0 BDADLO Cc1nnsc1C[N@H+](C)CC1=CCCOC1 ZINC000661653152 411830598 /nfs/dbraw/zinc/83/05/98/411830598.db2.gz PYFBWJMSCGONJJ-UHFFFAOYSA-N 1 2 239.344 1.625 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)CC1=CCCOC1 ZINC000661654453 411831245 /nfs/dbraw/zinc/83/12/45/411831245.db2.gz YZFFETSMTHLLBE-JTQLQIEISA-N 1 2 236.319 1.155 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)CC1=CCCOC1 ZINC000661654453 411831249 /nfs/dbraw/zinc/83/12/49/411831249.db2.gz YZFFETSMTHLLBE-JTQLQIEISA-N 1 2 236.319 1.155 20 0 BDADLO Cc1ncn(Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000664082992 411844842 /nfs/dbraw/zinc/84/48/42/411844842.db2.gz UQEFEPRAOVHXRJ-UHFFFAOYSA-N 1 2 245.208 1.394 20 0 BDADLO C[C@]12COC[C@@H]1C[N@H+](Cc1csnn1)C2 ZINC000661706242 411849229 /nfs/dbraw/zinc/84/92/29/411849229.db2.gz YRWLBRNBISIICR-WPRPVWTQSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1csnn1)C2 ZINC000661706242 411849233 /nfs/dbraw/zinc/84/92/33/411849233.db2.gz YRWLBRNBISIICR-WPRPVWTQSA-N 1 2 225.317 1.006 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000301258784 170746345 /nfs/dbraw/zinc/74/63/45/170746345.db2.gz UNKGKCGUAAQHLZ-SCZZXKLOSA-N 1 2 236.319 1.500 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000087236816 487620855 /nfs/dbraw/zinc/62/08/55/487620855.db2.gz JJPKDTGARYUISX-APOZVJGGSA-N 1 2 249.314 1.662 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1cn(C)nn1 ZINC000661744299 411857541 /nfs/dbraw/zinc/85/75/41/411857541.db2.gz SVEQNTSHMGAIHY-LBPRGKRZSA-N 1 2 240.351 1.308 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661744299 411857545 /nfs/dbraw/zinc/85/75/45/411857545.db2.gz SVEQNTSHMGAIHY-LBPRGKRZSA-N 1 2 240.351 1.308 20 0 BDADLO CCc1nsc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664127860 411862802 /nfs/dbraw/zinc/86/28/02/411862802.db2.gz SPQGJWVXRGHXPC-UHFFFAOYSA-N 1 2 223.305 1.460 20 0 BDADLO CCc1nsc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664127860 411862806 /nfs/dbraw/zinc/86/28/06/411862806.db2.gz SPQGJWVXRGHXPC-UHFFFAOYSA-N 1 2 223.305 1.460 20 0 BDADLO CC[C@H]1C[C@@H](Nc2nc(C)[nH+]c(N)n2)CCO1 ZINC000631308943 411885592 /nfs/dbraw/zinc/88/55/92/411885592.db2.gz HWCGREVFTLACEW-IUCAKERBSA-N 1 2 237.307 1.132 20 0 BDADLO CC[C@H]1C[C@@H](Nc2nc(N)nc(C)[nH+]2)CCO1 ZINC000631308943 411885596 /nfs/dbraw/zinc/88/55/96/411885596.db2.gz HWCGREVFTLACEW-IUCAKERBSA-N 1 2 237.307 1.132 20 0 BDADLO Cc1nc(N(C)Cc2cccc(O)c2)nc(N)[nH+]1 ZINC000631185682 411942303 /nfs/dbraw/zinc/94/23/03/411942303.db2.gz GNSVIPUOSULDHQ-UHFFFAOYSA-N 1 2 245.286 1.104 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2cccc(O)c2)[nH+]1 ZINC000631185682 411942308 /nfs/dbraw/zinc/94/23/08/411942308.db2.gz GNSVIPUOSULDHQ-UHFFFAOYSA-N 1 2 245.286 1.104 20 0 BDADLO C[C@H](Nc1nc[nH+]c(N)c1Cl)C1(CO)CC1 ZINC000664273173 411907085 /nfs/dbraw/zinc/90/70/85/411907085.db2.gz UMNXVVQCIHPFJX-LURJTMIESA-N 1 2 242.710 1.285 20 0 BDADLO C[C@H](Nc1[nH+]cnc(N)c1Cl)C1(CO)CC1 ZINC000664273173 411907087 /nfs/dbraw/zinc/90/70/87/411907087.db2.gz UMNXVVQCIHPFJX-LURJTMIESA-N 1 2 242.710 1.285 20 0 BDADLO COc1ccnc(CNc2cc(C)[nH+]cn2)c1F ZINC000664398159 411942739 /nfs/dbraw/zinc/94/27/39/411942739.db2.gz NLTJOFODZQEVER-UHFFFAOYSA-N 1 2 248.261 1.940 20 0 BDADLO Cc1cc(N2C[C@]3(C)COC[C@]3(C)C2)nc[nH+]1 ZINC000664288156 411913464 /nfs/dbraw/zinc/91/34/64/411913464.db2.gz RLFNEHIDWRNBEH-BETUJISGSA-N 1 2 233.315 1.648 20 0 BDADLO CCc1cc(NCCO[C@@H]2CC2(F)F)nc[nH+]1 ZINC000664313131 411919557 /nfs/dbraw/zinc/91/95/57/411919557.db2.gz GPXRLJAOMLCYEY-SECBINFHSA-N 1 2 243.257 1.875 20 0 BDADLO Cc1nc(N2C[C@@H](C)C(O)[C@H](C)C2)cc[nH+]1 ZINC000664349976 411927391 /nfs/dbraw/zinc/92/73/91/411927391.db2.gz OBJFLHCIYJEBRW-RKDXNWHRSA-N 1 2 221.304 1.238 20 0 BDADLO Cc1nc(N2C[C@H](C)C(O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000664347789 411928479 /nfs/dbraw/zinc/92/84/79/411928479.db2.gz AYTGUEBVXWTJDJ-IUCAKERBSA-N 1 2 249.358 1.855 20 0 BDADLO c1ncc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)[nH]1 ZINC000661992720 411937655 /nfs/dbraw/zinc/93/76/55/411937655.db2.gz ASEJYNHDJSZZTR-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO c1ncc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)[nH]1 ZINC000661992720 411937661 /nfs/dbraw/zinc/93/76/61/411937661.db2.gz ASEJYNHDJSZZTR-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO c1nc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c[nH]1 ZINC000661992720 411937663 /nfs/dbraw/zinc/93/76/63/411937663.db2.gz ASEJYNHDJSZZTR-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO c1nc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c[nH]1 ZINC000661992720 411937666 /nfs/dbraw/zinc/93/76/66/411937666.db2.gz ASEJYNHDJSZZTR-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO Nc1[nH+]cnc(N[C@H](CO)C2CCC2)c1Cl ZINC000664172996 411879827 /nfs/dbraw/zinc/87/98/27/411879827.db2.gz YZLYTFUYLOIARC-SSDOTTSWSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(N[C@H](CO)C2CCC2)c1Cl ZINC000664172996 411879829 /nfs/dbraw/zinc/87/98/29/411879829.db2.gz YZLYTFUYLOIARC-SSDOTTSWSA-N 1 2 242.710 1.285 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CC=CCC1)c1[nH+]ccn1C ZINC000664173718 411880062 /nfs/dbraw/zinc/88/00/62/411880062.db2.gz OOBOSQPBPVEMQF-WDEREUQCSA-N 1 2 248.330 1.889 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)n1 ZINC000662044700 411963752 /nfs/dbraw/zinc/96/37/52/411963752.db2.gz SZMBIZFAVPZFTL-LLVKDONJSA-N 1 2 235.335 1.222 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@@H](C3CCC3)C2)n1 ZINC000662044700 411963755 /nfs/dbraw/zinc/96/37/55/411963755.db2.gz SZMBIZFAVPZFTL-LLVKDONJSA-N 1 2 235.335 1.222 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065157 411968397 /nfs/dbraw/zinc/96/83/97/411968397.db2.gz KWTUAOGEHUFLGA-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065157 411968398 /nfs/dbraw/zinc/96/83/98/411968398.db2.gz KWTUAOGEHUFLGA-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065157 411968399 /nfs/dbraw/zinc/96/83/99/411968399.db2.gz KWTUAOGEHUFLGA-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065157 411968401 /nfs/dbraw/zinc/96/84/01/411968401.db2.gz KWTUAOGEHUFLGA-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065157 411968402 /nfs/dbraw/zinc/96/84/02/411968402.db2.gz KWTUAOGEHUFLGA-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065157 411968403 /nfs/dbraw/zinc/96/84/03/411968403.db2.gz KWTUAOGEHUFLGA-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631205569 411968506 /nfs/dbraw/zinc/96/85/06/411968506.db2.gz CHWMBPSKLWGYDK-UWVGGRQHSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000631205569 411968509 /nfs/dbraw/zinc/96/85/09/411968509.db2.gz CHWMBPSKLWGYDK-UWVGGRQHSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1ccc(CCNc2nc(C)[nH+]c(N)n2)cc1 ZINC000631121925 411974515 /nfs/dbraw/zinc/97/45/15/411974515.db2.gz UEVTVOJAOCGXER-UHFFFAOYSA-N 1 2 243.314 1.147 20 0 BDADLO Cc1ccc(CCNc2nc(N)nc(C)[nH+]2)cc1 ZINC000631121925 411974518 /nfs/dbraw/zinc/97/45/18/411974518.db2.gz UEVTVOJAOCGXER-UHFFFAOYSA-N 1 2 243.314 1.147 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(C)(C)O ZINC000338792487 170873658 /nfs/dbraw/zinc/87/36/58/170873658.db2.gz RWDQRJYMIPWVHR-SNVBAGLBSA-N 1 2 237.347 1.983 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@]2(C)CC2(C)C)[nH+]1 ZINC000664551088 411983663 /nfs/dbraw/zinc/98/36/63/411983663.db2.gz RLIFXODOWPCCID-GFCCVEGCSA-N 1 2 235.335 1.847 20 0 BDADLO Cc1nc(N[C@]2(C)CC2(C)C)nc(N(C)C)[nH+]1 ZINC000664551088 411983665 /nfs/dbraw/zinc/98/36/65/411983665.db2.gz RLIFXODOWPCCID-GFCCVEGCSA-N 1 2 235.335 1.847 20 0 BDADLO C[C@H](NC(=O)N1CC=CCC1)c1[nH+]ccn1C ZINC000662091312 411984519 /nfs/dbraw/zinc/98/45/19/411984519.db2.gz DRTKPFLERFWJBH-JTQLQIEISA-N 1 2 234.303 1.453 20 0 BDADLO c1ccc2[nH+]c(N3CCC4(COC4)C3)[nH]c2c1 ZINC000664575163 411990678 /nfs/dbraw/zinc/99/06/78/411990678.db2.gz ZJTIEXLOWPYBFF-UHFFFAOYSA-N 1 2 229.283 1.790 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@@]1(C)CO ZINC000664593517 411992726 /nfs/dbraw/zinc/99/27/26/411992726.db2.gz CUZXWODDMKSJFA-JQWIXIFHSA-N 1 2 206.289 1.536 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCc2nccnc2C1 ZINC000662122983 411993787 /nfs/dbraw/zinc/99/37/87/411993787.db2.gz RHXBBYFDOWOIJN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ccncc1C[N@H+]1CCc2nccnc2C1 ZINC000662122983 411993790 /nfs/dbraw/zinc/99/37/90/411993790.db2.gz RHXBBYFDOWOIJN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nc(N(C)C)nc(NC2CC(C)(C)C2)[nH+]1 ZINC000664628936 412001283 /nfs/dbraw/zinc/00/12/83/412001283.db2.gz MLZKKEDXCSFSHP-UHFFFAOYSA-N 1 2 235.335 1.847 20 0 BDADLO Cc1nc(NC2CC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000664628936 412001285 /nfs/dbraw/zinc/00/12/85/412001285.db2.gz MLZKKEDXCSFSHP-UHFFFAOYSA-N 1 2 235.335 1.847 20 0 BDADLO O=c1[nH]nc(C[N@@H+](CCC2CC2)CC2CC2)[nH]1 ZINC000662178256 412021034 /nfs/dbraw/zinc/02/10/34/412021034.db2.gz UDEXYHZMGPTGQD-UHFFFAOYSA-N 1 2 236.319 1.522 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3COC[C@H]3C2)no1 ZINC000662029826 411945704 /nfs/dbraw/zinc/94/57/04/411945704.db2.gz BUFZWGXZGLVPAE-JMJZKYOTSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3COC[C@H]3C2)no1 ZINC000662029826 411945706 /nfs/dbraw/zinc/94/57/06/411945706.db2.gz BUFZWGXZGLVPAE-JMJZKYOTSA-N 1 2 237.303 1.407 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc(NC3CC3)[nH+]cn1)CC2 ZINC000664421907 411951204 /nfs/dbraw/zinc/95/12/04/411951204.db2.gz QZOSFSVEVUDBIK-TVQRCGJNSA-N 1 2 246.314 1.012 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc(NC3CC3)nc[nH+]1)CC2 ZINC000664421907 411951210 /nfs/dbraw/zinc/95/12/10/411951210.db2.gz QZOSFSVEVUDBIK-TVQRCGJNSA-N 1 2 246.314 1.012 20 0 BDADLO CN(Cc1cn(C)nn1)c1[nH]c2ccccc2[nH+]1 ZINC000664433933 411956397 /nfs/dbraw/zinc/95/63/97/411956397.db2.gz NXFAHUSDKKTONU-UHFFFAOYSA-N 1 2 242.286 1.328 20 0 BDADLO Cc1cnc(C(=O)N[C@H](C)c2[nH+]ccn2C)o1 ZINC000664454886 411962790 /nfs/dbraw/zinc/96/27/90/411962790.db2.gz PVXBJPNRRUQGOP-MRVPVSSYSA-N 1 2 234.259 1.208 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662228732 412031774 /nfs/dbraw/zinc/03/17/74/412031774.db2.gz JSVDSNBLNKEZNU-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO COCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662228732 412031776 /nfs/dbraw/zinc/03/17/76/412031776.db2.gz JSVDSNBLNKEZNU-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228263 412032415 /nfs/dbraw/zinc/03/24/15/412032415.db2.gz WOMRZZKUJPTVLW-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228263 412032419 /nfs/dbraw/zinc/03/24/19/412032419.db2.gz WOMRZZKUJPTVLW-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000291688917 171018561 /nfs/dbraw/zinc/01/85/61/171018561.db2.gz NXNNHCOESUOUJH-SNVBAGLBSA-N 1 2 222.292 1.077 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000292495848 171022607 /nfs/dbraw/zinc/02/26/07/171022607.db2.gz UEHZMIIUHASEOW-SNVBAGLBSA-N 1 2 236.319 1.151 20 0 BDADLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000292495848 171022608 /nfs/dbraw/zinc/02/26/08/171022608.db2.gz UEHZMIIUHASEOW-SNVBAGLBSA-N 1 2 236.319 1.151 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H](C)O1 ZINC000292547150 171089558 /nfs/dbraw/zinc/08/95/58/171089558.db2.gz QLSMIBNCUXJYLF-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H](C)O1 ZINC000292547150 171089560 /nfs/dbraw/zinc/08/95/60/171089560.db2.gz QLSMIBNCUXJYLF-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000179931215 171090863 /nfs/dbraw/zinc/09/08/63/171090863.db2.gz MDOYESYIARVNDK-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000179931215 171090866 /nfs/dbraw/zinc/09/08/66/171090866.db2.gz MDOYESYIARVNDK-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccn2C)CCS1 ZINC000076072075 171090887 /nfs/dbraw/zinc/09/08/87/171090887.db2.gz DRXFRUCLUPHYLT-SNVBAGLBSA-N 1 2 225.361 1.748 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccn2C)CCS1 ZINC000076072075 171090888 /nfs/dbraw/zinc/09/08/88/171090888.db2.gz DRXFRUCLUPHYLT-SNVBAGLBSA-N 1 2 225.361 1.748 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283859415 171108121 /nfs/dbraw/zinc/10/81/21/171108121.db2.gz HLBQBFHVDAZZEI-KOBKQOIESA-N 1 2 249.314 1.449 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000272493599 171110630 /nfs/dbraw/zinc/11/06/30/171110630.db2.gz SNKKCLKXDYUWKV-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nccn1C ZINC000272493599 171110631 /nfs/dbraw/zinc/11/06/31/171110631.db2.gz SNKKCLKXDYUWKV-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nccn1C ZINC000272493599 171110634 /nfs/dbraw/zinc/11/06/34/171110634.db2.gz SNKKCLKXDYUWKV-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(CO)o1 ZINC000169057315 171114041 /nfs/dbraw/zinc/11/40/41/171114041.db2.gz JLFKEASMCIRGKV-GHMZBOCLSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(CO)o1 ZINC000169057315 171114043 /nfs/dbraw/zinc/11/40/43/171114043.db2.gz JLFKEASMCIRGKV-GHMZBOCLSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1C[C@H](C(=O)NCc2c[nH+]c[nH]2)CCO1 ZINC000330783954 171125715 /nfs/dbraw/zinc/12/57/15/171125715.db2.gz REWPYVRRUXYDSX-MWLCHTKSSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1C[C@H](C(=O)NCc2c[nH]c[nH+]2)CCO1 ZINC000330783954 171125719 /nfs/dbraw/zinc/12/57/19/171125719.db2.gz REWPYVRRUXYDSX-MWLCHTKSSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333845876 171137146 /nfs/dbraw/zinc/13/71/46/171137146.db2.gz OHKGYSYPCUMNLG-LNFKQOIKSA-N 1 2 248.330 1.987 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000355786911 171160556 /nfs/dbraw/zinc/16/05/56/171160556.db2.gz SEIGEQPJEVIZLM-MWLCHTKSSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000355786911 171160557 /nfs/dbraw/zinc/16/05/57/171160557.db2.gz SEIGEQPJEVIZLM-MWLCHTKSSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1scnc1C ZINC000173361589 171240353 /nfs/dbraw/zinc/24/03/53/171240353.db2.gz RHNQWQUFBZKYNZ-SECBINFHSA-N 1 2 242.344 1.835 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1scnc1C ZINC000173361589 171240354 /nfs/dbraw/zinc/24/03/54/171240354.db2.gz RHNQWQUFBZKYNZ-SECBINFHSA-N 1 2 242.344 1.835 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](CC)Cc1cnn(C)c1 ZINC000173278869 171240869 /nfs/dbraw/zinc/24/08/69/171240869.db2.gz GKAHDLPKGQEDLB-LLVKDONJSA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](CC)Cc1cnn(C)c1 ZINC000173278869 171240870 /nfs/dbraw/zinc/24/08/70/171240870.db2.gz GKAHDLPKGQEDLB-LLVKDONJSA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858979 171250797 /nfs/dbraw/zinc/25/07/97/171250797.db2.gz XNOICZMRJOHNAP-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858979 171250798 /nfs/dbraw/zinc/25/07/98/171250798.db2.gz XNOICZMRJOHNAP-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355137802 171252782 /nfs/dbraw/zinc/25/27/82/171252782.db2.gz HMIVXFRRFCADNU-SRVKXCTJSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000359623994 171260091 /nfs/dbraw/zinc/26/00/91/171260091.db2.gz XQPMHNHHIZEPKW-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000359623994 171260093 /nfs/dbraw/zinc/26/00/93/171260093.db2.gz XQPMHNHHIZEPKW-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366679369 171279396 /nfs/dbraw/zinc/27/93/96/171279396.db2.gz NFNDMUSMKOWDLQ-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366679369 171279399 /nfs/dbraw/zinc/27/93/99/171279399.db2.gz NFNDMUSMKOWDLQ-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)C[S@](=O)Cc1c[nH+]cn1C ZINC000268186987 171299935 /nfs/dbraw/zinc/29/99/35/171299935.db2.gz UZBNJXSIIOKJHC-XPTSAGLGSA-N 1 2 214.334 1.715 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cncnc1 ZINC000281197285 171312620 /nfs/dbraw/zinc/31/26/20/171312620.db2.gz IUBIXZOOKGXQLU-JTQLQIEISA-N 1 2 237.303 1.250 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cncnc1 ZINC000281197285 171312622 /nfs/dbraw/zinc/31/26/22/171312622.db2.gz IUBIXZOOKGXQLU-JTQLQIEISA-N 1 2 237.303 1.250 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000179644547 171323416 /nfs/dbraw/zinc/32/34/16/171323416.db2.gz SNWUGZKMBZFZHE-RYUDHWBXSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000179644547 171323418 /nfs/dbraw/zinc/32/34/18/171323418.db2.gz SNWUGZKMBZFZHE-RYUDHWBXSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000276732636 171323632 /nfs/dbraw/zinc/32/36/32/171323632.db2.gz UAVMGRAIHSUHKM-VIFPVBQESA-N 1 2 209.293 1.267 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000032489126 171325736 /nfs/dbraw/zinc/32/57/36/171325736.db2.gz RDCHFYFFDCQGSQ-RYUDHWBXSA-N 1 2 249.358 1.779 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000032489126 171325738 /nfs/dbraw/zinc/32/57/38/171325738.db2.gz RDCHFYFFDCQGSQ-RYUDHWBXSA-N 1 2 249.358 1.779 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569840 171333915 /nfs/dbraw/zinc/33/39/15/171333915.db2.gz HDPSSCBMFMAHFN-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569840 171333917 /nfs/dbraw/zinc/33/39/17/171333917.db2.gz HDPSSCBMFMAHFN-AXFHLTTASA-N 1 2 228.336 1.010 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC1 ZINC000665068643 412079209 /nfs/dbraw/zinc/07/92/09/412079209.db2.gz GTOOCFBCPWSNIN-NXEZZACHSA-N 1 2 219.288 1.146 20 0 BDADLO CC[C@H](C)OCC(=O)N1CCn2c[nH+]cc2C1 ZINC000378109048 171352943 /nfs/dbraw/zinc/35/29/43/171352943.db2.gz OEFLYODSTSODED-JTQLQIEISA-N 1 2 237.303 1.040 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCCCC1 ZINC000665073265 412082399 /nfs/dbraw/zinc/08/23/99/412082399.db2.gz OFJWGVCTABPLLG-VXGBXAGGSA-N 1 2 247.342 1.973 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOCC(C)C)C(=O)OC ZINC000337310888 171399090 /nfs/dbraw/zinc/39/90/90/171399090.db2.gz BQWMUFIFRYOYGJ-RYUDHWBXSA-N 1 2 245.363 1.836 20 0 BDADLO COc1ccc(-c2c[nH+]cn2C)c(CO)c1 ZINC000665209410 412142158 /nfs/dbraw/zinc/14/21/58/412142158.db2.gz ZAUYEPKCVPPPRS-UHFFFAOYSA-N 1 2 218.256 1.588 20 0 BDADLO Cn1cc[nH+]c1-c1cscc1CCO ZINC000665181421 412122635 /nfs/dbraw/zinc/12/26/35/412122635.db2.gz RFKYSKNNRCPXGA-UHFFFAOYSA-N 1 2 208.286 1.683 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@](C)(C(F)F)O1 ZINC000662360101 412124606 /nfs/dbraw/zinc/12/46/06/412124606.db2.gz PXSBGGDENASLNR-LDYMZIIASA-N 1 2 245.273 1.654 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@](C)(C(F)F)O1 ZINC000662360101 412124611 /nfs/dbraw/zinc/12/46/11/412124611.db2.gz PXSBGGDENASLNR-LDYMZIIASA-N 1 2 245.273 1.654 20 0 BDADLO C[C@@]1(C(F)F)CN(CCn2cc[nH+]c2)CCO1 ZINC000662371542 412128252 /nfs/dbraw/zinc/12/82/52/412128252.db2.gz JQARKZMAIVXTMV-NSHDSACASA-N 1 2 245.273 1.239 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCn2ccnc2)CCO1 ZINC000662371542 412128256 /nfs/dbraw/zinc/12/82/56/412128256.db2.gz JQARKZMAIVXTMV-NSHDSACASA-N 1 2 245.273 1.239 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCn2ccnc2)CCO1 ZINC000662371542 412128259 /nfs/dbraw/zinc/12/82/59/412128259.db2.gz JQARKZMAIVXTMV-NSHDSACASA-N 1 2 245.273 1.239 20 0 BDADLO C[C@H](O)CNc1cc(NCC(C)(C)F)nc[nH+]1 ZINC000631408420 412249691 /nfs/dbraw/zinc/24/96/91/412249691.db2.gz QYFBXWCZIUBWFW-QMMMGPOBSA-N 1 2 242.298 1.429 20 0 BDADLO C[C@H](O)CNc1cc(NCC(C)(C)F)[nH+]cn1 ZINC000631408420 412249693 /nfs/dbraw/zinc/24/96/93/412249693.db2.gz QYFBXWCZIUBWFW-QMMMGPOBSA-N 1 2 242.298 1.429 20 0 BDADLO CC1(C)CNC(=O)[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000631375587 412330585 /nfs/dbraw/zinc/33/05/85/412330585.db2.gz CBTAWTTXPRVFEM-JTQLQIEISA-N 1 2 246.314 1.291 20 0 BDADLO CCCCc1cc(NCCn2ccnn2)nc[nH+]1 ZINC000631203633 412346600 /nfs/dbraw/zinc/34/66/00/412346600.db2.gz QRILSWPBAMHMKG-UHFFFAOYSA-N 1 2 246.318 1.523 20 0 BDADLO C[NH2+]C[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000662966453 412358946 /nfs/dbraw/zinc/35/89/46/412358946.db2.gz YHCNCJOEXWCFHQ-LURJTMIESA-N 1 2 244.241 1.008 20 0 BDADLO CC(=O)c1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000665565108 412364450 /nfs/dbraw/zinc/36/44/50/412364450.db2.gz IBVSIUSRPUZJDJ-UHFFFAOYSA-N 1 2 246.310 1.922 20 0 BDADLO CCc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)n(C)n1 ZINC000284028902 171762533 /nfs/dbraw/zinc/76/25/33/171762533.db2.gz PCWOJAAYNHPCGO-SNAWJCMRSA-N 1 2 245.286 1.358 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)[nH]1 ZINC000278783085 172003223 /nfs/dbraw/zinc/00/32/23/172003223.db2.gz PZLJJRLXNPZGGX-RKDXNWHRSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nc([C@@H](C)[NH2+][C@@H](CC)C(N)=O)cs1 ZINC000112547167 172003323 /nfs/dbraw/zinc/00/33/23/172003323.db2.gz CQLCMMWDDVWMKJ-SFYZADRCSA-N 1 2 241.360 1.620 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH2+]CC(F)F ZINC000290124041 172037979 /nfs/dbraw/zinc/03/79/79/172037979.db2.gz PIDCADSSDBNPCK-UHFFFAOYSA-N 1 2 231.290 1.900 20 0 BDADLO CCc1nn(C)cc1CNc1cc(C)[nH+]cn1 ZINC000092959622 172042119 /nfs/dbraw/zinc/04/21/19/172042119.db2.gz AHRYWSOQJPEAFJ-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCOC(C)C)o1 ZINC000354206882 172048153 /nfs/dbraw/zinc/04/81/53/172048153.db2.gz LLQRURGFAIQNNP-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCOC(C)C)o1 ZINC000354206882 172048156 /nfs/dbraw/zinc/04/81/56/172048156.db2.gz LLQRURGFAIQNNP-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000110108691 172065695 /nfs/dbraw/zinc/06/56/95/172065695.db2.gz FYURHNZWTAMNJV-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000110108691 172065698 /nfs/dbraw/zinc/06/56/98/172065698.db2.gz FYURHNZWTAMNJV-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nsc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000083654567 172106466 /nfs/dbraw/zinc/10/64/66/172106466.db2.gz GPEDELDRJGCNED-QMMMGPOBSA-N 1 2 237.332 1.798 20 0 BDADLO CCc1occc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280468453 172116707 /nfs/dbraw/zinc/11/67/07/172116707.db2.gz GHDBWFNRVUFAJN-JTQLQIEISA-N 1 2 247.298 1.857 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ccon2)cn1 ZINC000336781625 172174591 /nfs/dbraw/zinc/17/45/91/172174591.db2.gz VDWJHUWQDGJRLJ-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc(C[NH2+][C@H](COC)c2ccco2)cn1 ZINC000080240001 172175243 /nfs/dbraw/zinc/17/52/43/172175243.db2.gz DFDJKRORYNZZMQ-GFCCVEGCSA-N 1 2 249.314 1.973 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2cc[nH]n2)cn1 ZINC000044500271 172194740 /nfs/dbraw/zinc/19/47/40/172194740.db2.gz ZMYBSTQRNPQOHW-SECBINFHSA-N 1 2 219.292 1.477 20 0 BDADLO CCn1ccnc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000291863761 172217865 /nfs/dbraw/zinc/21/78/65/172217865.db2.gz GUBBPYANMRYGEH-UHFFFAOYSA-N 1 2 230.271 1.859 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@](F)(CO)C1 ZINC000367846122 172220536 /nfs/dbraw/zinc/22/05/36/172220536.db2.gz CLGQPFQNPUTKPI-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H]1C[C@H]1C ZINC000296511779 172221571 /nfs/dbraw/zinc/22/15/71/172221571.db2.gz YOIBZEYLUYOYEJ-ZJUUUORDSA-N 1 2 236.319 1.358 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Nc1ccccn1 ZINC000296370374 172221701 /nfs/dbraw/zinc/22/17/01/172221701.db2.gz PCNPZNHRAYLMIH-UHFFFAOYSA-N 1 2 245.286 1.620 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@H]2CCOC(=O)[C@H]21 ZINC000373446266 172223207 /nfs/dbraw/zinc/22/32/07/172223207.db2.gz CETKHLBANRNMSB-JQWIXIFHSA-N 1 2 249.314 1.040 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@](C)(CC)OC ZINC000295696536 172223224 /nfs/dbraw/zinc/22/32/24/172223224.db2.gz NUDLLHOBNPPCDR-LBPRGKRZSA-N 1 2 239.319 1.334 20 0 BDADLO CCn1nccc1CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000282967463 172259652 /nfs/dbraw/zinc/25/96/52/172259652.db2.gz DWKINGXKIDHGNG-NSHDSACASA-N 1 2 235.331 1.356 20 0 BDADLO CCn1nccc1CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000282967463 172259653 /nfs/dbraw/zinc/25/96/53/172259653.db2.gz DWKINGXKIDHGNG-NSHDSACASA-N 1 2 235.331 1.356 20 0 BDADLO CCn1nccc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000187836504 172262756 /nfs/dbraw/zinc/26/27/56/172262756.db2.gz MEAIYYWGVBYYEN-HWPZZCPQSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1nccc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000187836504 172262758 /nfs/dbraw/zinc/26/27/58/172262758.db2.gz MEAIYYWGVBYYEN-HWPZZCPQSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000359052105 172281783 /nfs/dbraw/zinc/28/17/83/172281783.db2.gz FPTRXGUEWCYOEP-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(Cl)o1 ZINC000309635215 172282387 /nfs/dbraw/zinc/28/23/87/172282387.db2.gz JCYSGJWMEXTEQU-UHFFFAOYSA-N 1 2 240.694 1.834 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](CO)c1ccccc1 ZINC000088591888 172283695 /nfs/dbraw/zinc/28/36/95/172283695.db2.gz KUAHTQWLKCWOIW-GFCCVEGCSA-N 1 2 246.314 1.121 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665848294 487624460 /nfs/dbraw/zinc/62/44/60/487624460.db2.gz MYZWNCQTYNYXRF-ZJUUUORDSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665848294 487624467 /nfs/dbraw/zinc/62/44/67/487624467.db2.gz MYZWNCQTYNYXRF-ZJUUUORDSA-N 1 2 235.331 1.675 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000336395108 172366218 /nfs/dbraw/zinc/36/62/18/172366218.db2.gz DRFUVLFXBDHTAF-CYBMUJFWSA-N 1 2 248.326 1.148 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000336395108 172366219 /nfs/dbraw/zinc/36/62/19/172366219.db2.gz DRFUVLFXBDHTAF-CYBMUJFWSA-N 1 2 248.326 1.148 20 0 BDADLO CN(C)C(=O)C[NH2+]Cc1cccc(O)c1Cl ZINC000294101147 172370657 /nfs/dbraw/zinc/37/06/57/172370657.db2.gz MHRBOVPTUZTFJB-UHFFFAOYSA-N 1 2 242.706 1.223 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000247958792 172385390 /nfs/dbraw/zinc/38/53/90/172385390.db2.gz DONPHIAQUOKDQI-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC000247958792 172385392 /nfs/dbraw/zinc/38/53/92/172385392.db2.gz DONPHIAQUOKDQI-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C[C@@H]1CCCO1 ZINC000048990499 172584959 /nfs/dbraw/zinc/58/49/59/172584959.db2.gz NUSTYPXBJVWNSQ-JTQLQIEISA-N 1 2 249.314 1.655 20 0 BDADLO CN(Cc1nccs1)Cc1[nH]cc[nH+]1 ZINC000175083288 172929303 /nfs/dbraw/zinc/92/93/03/172929303.db2.gz DDOWSKALABWENZ-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336702462 172936741 /nfs/dbraw/zinc/93/67/41/172936741.db2.gz LFDIDJFJLUSMBD-JTQLQIEISA-N 1 2 238.335 1.205 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336702462 172936742 /nfs/dbraw/zinc/93/67/42/172936742.db2.gz LFDIDJFJLUSMBD-JTQLQIEISA-N 1 2 238.335 1.205 20 0 BDADLO CN(c1cc[nH+]c2ccncc21)[C@H]1CCOC1 ZINC000267976881 172951792 /nfs/dbraw/zinc/95/17/92/172951792.db2.gz OGRPHTJGPCQIPW-JTQLQIEISA-N 1 2 229.283 1.855 20 0 BDADLO CN1CC[N@H+](Cc2cccc(O)c2)C(C)(C)C1=O ZINC000093642727 173088038 /nfs/dbraw/zinc/08/80/38/173088038.db2.gz OJCHAOMJEIKFIU-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO CN1CC[N@@H+](Cc2cccc(O)c2)C(C)(C)C1=O ZINC000093642727 173088040 /nfs/dbraw/zinc/08/80/40/173088040.db2.gz OJCHAOMJEIKFIU-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(CC3=CCCC3)no2)C1 ZINC000333883148 173108510 /nfs/dbraw/zinc/10/85/10/173108510.db2.gz VBSCMRDYVVNMKT-NSHDSACASA-N 1 2 249.314 1.726 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(CC3=CCCC3)no2)C1 ZINC000333883148 173108512 /nfs/dbraw/zinc/10/85/12/173108512.db2.gz VBSCMRDYVVNMKT-NSHDSACASA-N 1 2 249.314 1.726 20 0 BDADLO CN1CC[C@H]([N@@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000133896432 173150473 /nfs/dbraw/zinc/15/04/73/173150473.db2.gz SWHRNFVAQRSJOW-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@H]([N@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000133896432 173150475 /nfs/dbraw/zinc/15/04/75/173150475.db2.gz SWHRNFVAQRSJOW-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO CN1C[C@@H](Nc2cccc[nH+]2)CCC1=O ZINC000077900742 173188304 /nfs/dbraw/zinc/18/83/04/173188304.db2.gz SEVAEQQIEXPIDD-VIFPVBQESA-N 1 2 205.261 1.114 20 0 BDADLO CNC(=O)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000336494664 173227982 /nfs/dbraw/zinc/22/79/82/173227982.db2.gz KMMNBDWAEIWIHH-UHFFFAOYSA-N 1 2 240.253 1.143 20 0 BDADLO CNC(=O)CCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000157705246 173239180 /nfs/dbraw/zinc/23/91/80/173239180.db2.gz VGYXEYLSDWSJIU-UHFFFAOYSA-N 1 2 248.330 1.316 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cccc(Cl)c1F ZINC000276417637 173269850 /nfs/dbraw/zinc/26/98/50/173269850.db2.gz MGYKVWDYOXXTRC-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cccc(Cl)c1F ZINC000276417637 173269852 /nfs/dbraw/zinc/26/98/52/173269852.db2.gz MGYKVWDYOXXTRC-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000272281575 173283120 /nfs/dbraw/zinc/28/31/20/173283120.db2.gz OGVGKZVTUAPHAE-JTQLQIEISA-N 1 2 235.331 1.689 20 0 BDADLO CNC(=O)C[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000272281575 173283121 /nfs/dbraw/zinc/28/31/21/173283121.db2.gz OGVGKZVTUAPHAE-JTQLQIEISA-N 1 2 235.331 1.689 20 0 BDADLO CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000005627768 173284162 /nfs/dbraw/zinc/28/41/62/173284162.db2.gz KBVVIBSXWUEFKG-UHFFFAOYSA-N 1 2 203.245 1.091 20 0 BDADLO CNC(=O)[C@H]([NH2+]Cc1cscn1)C(C)C ZINC000125026262 173305678 /nfs/dbraw/zinc/30/56/78/173305678.db2.gz XAGNIGDGICQFFA-SECBINFHSA-N 1 2 227.333 1.003 20 0 BDADLO CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117751312 173311539 /nfs/dbraw/zinc/31/15/39/173311539.db2.gz UGPSFAMZHVGUTK-UHFFFAOYSA-N 1 2 201.229 1.232 20 0 BDADLO COC(=O)[C@H](C)NCc1c[nH+]c2cc(C)ccn12 ZINC000355152358 173785910 /nfs/dbraw/zinc/78/59/10/173785910.db2.gz IXGFUFBZLMNUKV-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO COC(=O)[C@H](CC(F)F)[NH2+]C[C@@H]1C[C@H]1C ZINC000336763767 173794776 /nfs/dbraw/zinc/79/47/76/173794776.db2.gz PFQJBHTWOMWKIE-CSMHCCOUSA-N 1 2 221.247 1.429 20 0 BDADLO COC(=O)c1cncc(NCc2c[nH+]cn2C)c1 ZINC000181716504 173907962 /nfs/dbraw/zinc/90/79/62/173907962.db2.gz FWHLZIOYQUZYPN-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO COCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000082276424 174040927 /nfs/dbraw/zinc/04/09/27/174040927.db2.gz JOKHDMFVHJUQSM-VIFPVBQESA-N 1 2 223.276 1.110 20 0 BDADLO COCC1(c2nc(Cc3c[nH+]cn3C)no2)CC1 ZINC000357966671 174113100 /nfs/dbraw/zinc/11/31/00/174113100.db2.gz ZFPANEMENOOYBI-UHFFFAOYSA-N 1 2 248.286 1.072 20 0 BDADLO COCCCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330564607 174192645 /nfs/dbraw/zinc/19/26/45/174192645.db2.gz LKAMBLKRYGUCAE-ZJUUUORDSA-N 1 2 230.308 1.038 20 0 BDADLO COCCCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330564607 174192648 /nfs/dbraw/zinc/19/26/48/174192648.db2.gz LKAMBLKRYGUCAE-ZJUUUORDSA-N 1 2 230.308 1.038 20 0 BDADLO COCCC[N@H+](CCOC)Cc1cocn1 ZINC000191935652 174225409 /nfs/dbraw/zinc/22/54/09/174225409.db2.gz UGKPOVKKIRSYMS-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO COCCC[N@@H+](CCOC)Cc1cocn1 ZINC000191935652 174225410 /nfs/dbraw/zinc/22/54/10/174225410.db2.gz UGKPOVKKIRSYMS-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO COCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156234125 174231539 /nfs/dbraw/zinc/23/15/39/174231539.db2.gz HGSZDXXNBOVZKU-ZDUSSCGKSA-N 1 2 248.326 1.196 20 0 BDADLO COCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156234125 174231547 /nfs/dbraw/zinc/23/15/47/174231547.db2.gz HGSZDXXNBOVZKU-ZDUSSCGKSA-N 1 2 248.326 1.196 20 0 BDADLO COCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375798483 174231622 /nfs/dbraw/zinc/23/16/22/174231622.db2.gz WTNBWWJMVMUGCS-NSHDSACASA-N 1 2 225.288 1.689 20 0 BDADLO COCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375798483 174231623 /nfs/dbraw/zinc/23/16/23/174231623.db2.gz WTNBWWJMVMUGCS-NSHDSACASA-N 1 2 225.288 1.689 20 0 BDADLO COCCCNC(=O)Nc1cc[nH+]cc1C ZINC000121479185 174242224 /nfs/dbraw/zinc/24/22/24/174242224.db2.gz XGHHGMMGCFKXSO-UHFFFAOYSA-N 1 2 223.276 1.548 20 0 BDADLO COCC[N@H+](CCO)Cc1cccnc1Cl ZINC000122648752 174294814 /nfs/dbraw/zinc/29/48/14/174294814.db2.gz YBKLXAAPFNWPTH-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO COCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000122648752 174294815 /nfs/dbraw/zinc/29/48/15/174294815.db2.gz YBKLXAAPFNWPTH-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO COCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000267817389 174316250 /nfs/dbraw/zinc/31/62/50/174316250.db2.gz NYJCGPFCVVJLRV-ZDUSSCGKSA-N 1 2 249.310 1.405 20 0 BDADLO COCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000267817389 174316251 /nfs/dbraw/zinc/31/62/51/174316251.db2.gz NYJCGPFCVVJLRV-ZDUSSCGKSA-N 1 2 249.310 1.405 20 0 BDADLO COCCO[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000338952516 174365697 /nfs/dbraw/zinc/36/56/97/174365697.db2.gz OLXATWIQYSCLRM-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO COCCO[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000338952516 174365699 /nfs/dbraw/zinc/36/56/99/174365699.db2.gz OLXATWIQYSCLRM-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO COCC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000112013125 174387643 /nfs/dbraw/zinc/38/76/43/174387643.db2.gz WEQYCLQCZLZZGI-MRVPVSSYSA-N 1 2 235.291 1.200 20 0 BDADLO COCC[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000281993882 174389870 /nfs/dbraw/zinc/38/98/70/174389870.db2.gz WPNKWPQTGPHGHR-JTQLQIEISA-N 1 2 237.303 1.163 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccco1 ZINC000270052543 174484845 /nfs/dbraw/zinc/48/48/45/174484845.db2.gz FECGHHWTHICKIS-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1C ZINC000282732623 174765679 /nfs/dbraw/zinc/76/56/79/174765679.db2.gz CQJOAFZZCCIONW-KJDJKKKBSA-N 1 2 249.314 1.306 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000352342659 174794457 /nfs/dbraw/zinc/79/44/57/174794457.db2.gz WSAMBOWLYHATEV-CABZTGNLSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000352342659 174794459 /nfs/dbraw/zinc/79/44/59/174794459.db2.gz WSAMBOWLYHATEV-CABZTGNLSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@H]1C[NH2+][C@@H](C(=O)OC2CCCCC2)C1 ZINC000048632141 174899948 /nfs/dbraw/zinc/89/99/48/174899948.db2.gz AELFKDVZWBOQCU-GHMZBOCLSA-N 1 2 227.304 1.239 20 0 BDADLO COc1cc(NCCc2[nH+]cccc2C)ncn1 ZINC000295695080 175002354 /nfs/dbraw/zinc/00/23/54/175002354.db2.gz IPWWACWGYFBEQY-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1ccc2c(c1)CN(Cc1[nH]cc[nH+]1)CC2 ZINC000171948196 175211125 /nfs/dbraw/zinc/21/11/25/175211125.db2.gz LODUYIBKCGNQAS-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1cccc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000270974052 175255361 /nfs/dbraw/zinc/25/53/61/175255361.db2.gz DJFBSTKMLQGXSA-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[NH2+]Cc2csnn2)c1 ZINC000037680432 175265896 /nfs/dbraw/zinc/26/58/96/175265896.db2.gz GNOLLDMKEWAAQE-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO COc1ccccc1-c1noc([C@@H]([NH3+])[C@H](C)O)n1 ZINC000035660817 175312132 /nfs/dbraw/zinc/31/21/32/175312132.db2.gz ZFVRCNYKLSWAFJ-XVKPBYJWSA-N 1 2 249.270 1.126 20 0 BDADLO COc1ccccc1C[NH2+][C@@H](C)c1nncn1C ZINC000037016704 175330404 /nfs/dbraw/zinc/33/04/04/175330404.db2.gz GKCHMQFSKYIZPY-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@@H](C)C2)c1 ZINC000339587396 175358807 /nfs/dbraw/zinc/35/88/07/175358807.db2.gz XUTDNHOOVRBTKM-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccnc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154290668 175359222 /nfs/dbraw/zinc/35/92/22/175359222.db2.gz YUIIJMGMQJOBAF-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccnc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154290668 175359225 /nfs/dbraw/zinc/35/92/25/175359225.db2.gz YUIIJMGMQJOBAF-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cc[nH+]c(CN2CCOC3(CCC3)C2)c1 ZINC000154290668 175359226 /nfs/dbraw/zinc/35/92/26/175359226.db2.gz YUIIJMGMQJOBAF-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccnc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000270560463 175363915 /nfs/dbraw/zinc/36/39/15/175363915.db2.gz KEYICEFSFZXORR-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CCCC1 ZINC000292736352 175369353 /nfs/dbraw/zinc/36/93/53/175369353.db2.gz QHXSJJGIHMMSEY-UHFFFAOYSA-N 1 2 235.287 1.396 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC1CC(C)C1 ZINC000292587204 175370447 /nfs/dbraw/zinc/37/04/47/175370447.db2.gz BBCUMMUFZRAFEU-UHFFFAOYSA-N 1 2 249.314 1.688 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C(C)(C)OC ZINC000287320354 175373323 /nfs/dbraw/zinc/37/33/23/175373323.db2.gz WYKQIHRRBJEZNY-UHFFFAOYSA-N 1 2 239.271 1.558 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C(F)F ZINC000194490949 175374904 /nfs/dbraw/zinc/37/49/04/175374904.db2.gz VGEKRFHGYJILKX-UHFFFAOYSA-N 1 2 202.160 1.294 20 0 BDADLO COc1ccncc1NCc1[nH+]cc(C)n1C ZINC000341341770 175376280 /nfs/dbraw/zinc/37/62/80/175376280.db2.gz DHQVWSRMMCRDLW-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO COc1cncc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000289143027 175385214 /nfs/dbraw/zinc/38/52/14/175385214.db2.gz FTSOUIDHCQDNPH-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295000781 175994357 /nfs/dbraw/zinc/99/43/57/175994357.db2.gz OFMYICQMCQEBBH-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295000781 175994359 /nfs/dbraw/zinc/99/43/59/175994359.db2.gz OFMYICQMCQEBBH-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282103794 176027217 /nfs/dbraw/zinc/02/72/17/176027217.db2.gz ISNOLDHRFHVOFT-MNOVXSKESA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282103794 176027220 /nfs/dbraw/zinc/02/72/20/176027220.db2.gz ISNOLDHRFHVOFT-MNOVXSKESA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282208107 176029497 /nfs/dbraw/zinc/02/94/97/176029497.db2.gz OGDFILVPBDJAMA-MNOVXSKESA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282208107 176029498 /nfs/dbraw/zinc/02/94/98/176029498.db2.gz OGDFILVPBDJAMA-MNOVXSKESA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCc2ncccc2C1 ZINC000366384984 176036753 /nfs/dbraw/zinc/03/67/53/176036753.db2.gz JICQMGBXRHHIQM-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCc2ncccc2C1 ZINC000366384984 176036755 /nfs/dbraw/zinc/03/67/55/176036755.db2.gz JICQMGBXRHHIQM-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCO ZINC000153141806 176039559 /nfs/dbraw/zinc/03/95/59/176039559.db2.gz DRWCMHAELOAVPJ-VIFPVBQESA-N 1 2 226.320 1.957 20 0 BDADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCO ZINC000153141806 176039561 /nfs/dbraw/zinc/03/95/61/176039561.db2.gz DRWCMHAELOAVPJ-VIFPVBQESA-N 1 2 226.320 1.957 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000330095389 176043161 /nfs/dbraw/zinc/04/31/61/176043161.db2.gz VJNBJRXZMKVBSR-IUCAKERBSA-N 1 2 248.282 1.153 20 0 BDADLO C[C@@H]1CC(NC(=O)c2ccc3[nH+]ccn3c2)=NO1 ZINC000270719872 176054370 /nfs/dbraw/zinc/05/43/70/176054370.db2.gz BIAQKNXHZXMTAQ-MRVPVSSYSA-N 1 2 244.254 1.186 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276736338 176066244 /nfs/dbraw/zinc/06/62/44/176066244.db2.gz UMEDMEXBBRAQOX-BRAIEQGRSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000276612238 176155658 /nfs/dbraw/zinc/15/56/58/176155658.db2.gz STNZEAJPHKEZGE-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC000264477572 176210713 /nfs/dbraw/zinc/21/07/13/176210713.db2.gz PGDIYTKGHHGBPY-HAQNSBGRSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1CC[C@@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302869897 176214635 /nfs/dbraw/zinc/21/46/35/176214635.db2.gz BBNFPNNJVIKOFW-HTQZYQBOSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000268236158 176222832 /nfs/dbraw/zinc/22/28/32/176222832.db2.gz BZUIYRSKUXXMKB-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO CCC(=O)N[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000674837271 487632904 /nfs/dbraw/zinc/63/29/04/487632904.db2.gz XQESJEOMMDYAQF-JTQLQIEISA-N 1 2 249.314 1.552 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000366207680 176255505 /nfs/dbraw/zinc/25/55/05/176255505.db2.gz SEUMFINFAJVSAH-NXEZZACHSA-N 1 2 249.314 1.077 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CCC1=O ZINC000275282776 176303116 /nfs/dbraw/zinc/30/31/16/176303116.db2.gz WLMRZSGJFVHIIY-SNVBAGLBSA-N 1 2 246.310 1.196 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CCC1=O ZINC000275282776 176303118 /nfs/dbraw/zinc/30/31/18/176303118.db2.gz WLMRZSGJFVHIIY-SNVBAGLBSA-N 1 2 246.310 1.196 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)cn2)[C@H](C)CO1 ZINC000276364083 176304103 /nfs/dbraw/zinc/30/41/03/176304103.db2.gz MVJZHMXGLSRYTP-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)[C@H](C)CO1 ZINC000276364083 176304104 /nfs/dbraw/zinc/30/41/04/176304104.db2.gz MVJZHMXGLSRYTP-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCC(C)(C)F)c1 ZINC000601205832 487633363 /nfs/dbraw/zinc/63/33/63/487633363.db2.gz JNQMLQXYHAEYEU-UHFFFAOYSA-N 1 2 240.278 1.957 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(O)c2)[C@H](C)CN1C ZINC000336545053 176306231 /nfs/dbraw/zinc/30/62/31/176306231.db2.gz UZYUSMRSADSGDX-VXGBXAGGSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)[C@H](C)CN1C ZINC000336545053 176306232 /nfs/dbraw/zinc/30/62/32/176306232.db2.gz UZYUSMRSADSGDX-VXGBXAGGSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)CCC1(F)F ZINC000289765737 176309306 /nfs/dbraw/zinc/30/93/06/176309306.db2.gz LACUKZJGQQJMFK-SECBINFHSA-N 1 2 229.274 1.897 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CCC1(F)F ZINC000289765737 176309307 /nfs/dbraw/zinc/30/93/07/176309307.db2.gz LACUKZJGQQJMFK-SECBINFHSA-N 1 2 229.274 1.897 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccsc2)CC(=O)N1 ZINC000295003671 176309617 /nfs/dbraw/zinc/30/96/17/176309617.db2.gz LOALKSPQRRPCBN-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccsc2)CC(=O)N1 ZINC000295003671 176309619 /nfs/dbraw/zinc/30/96/19/176309619.db2.gz LOALKSPQRRPCBN-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1C[NH+](Cc2cncs2)C[C@@H](C)O1 ZINC000126987982 176310079 /nfs/dbraw/zinc/31/00/79/176310079.db2.gz QCWHIGIXUOCCJB-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)no2)C[C@H]1O ZINC000351808218 176311556 /nfs/dbraw/zinc/31/15/56/176311556.db2.gz JBDSDHZLJVIUCE-RKDXNWHRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)no2)C[C@H]1O ZINC000351808218 176311558 /nfs/dbraw/zinc/31/15/58/176311558.db2.gz JBDSDHZLJVIUCE-RKDXNWHRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1CO ZINC000191724040 176312210 /nfs/dbraw/zinc/31/22/10/176312210.db2.gz SGZKNLNVLKEPHE-BDAKNGLRSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1CO ZINC000191724040 176312211 /nfs/dbraw/zinc/31/22/11/176312211.db2.gz SGZKNLNVLKEPHE-BDAKNGLRSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCCC[C@@H]12 ZINC000331516721 176312367 /nfs/dbraw/zinc/31/23/67/176312367.db2.gz DKDSFAKXFYRMFU-UTLUCORTSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCCC[C@@H]12 ZINC000331516721 176312368 /nfs/dbraw/zinc/31/23/68/176312368.db2.gz DKDSFAKXFYRMFU-UTLUCORTSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnnn2-c2ccccc2)[C@@H]1C ZINC000293202223 176313390 /nfs/dbraw/zinc/31/33/90/176313390.db2.gz XTZFOIFKAFTQJQ-GHMZBOCLSA-N 1 2 243.314 1.503 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)[C@@H]1C ZINC000293202223 176313391 /nfs/dbraw/zinc/31/33/91/176313391.db2.gz XTZFOIFKAFTQJQ-GHMZBOCLSA-N 1 2 243.314 1.503 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCCO1 ZINC000171917977 176320332 /nfs/dbraw/zinc/32/03/32/176320332.db2.gz CNBRGZVYNIHDCJ-SNVBAGLBSA-N 1 2 233.315 1.969 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284334182 176336942 /nfs/dbraw/zinc/33/69/42/176336942.db2.gz KYPZECDIHCJSFM-LLVKDONJSA-N 1 2 249.358 1.995 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284334182 176336943 /nfs/dbraw/zinc/33/69/43/176336943.db2.gz KYPZECDIHCJSFM-LLVKDONJSA-N 1 2 249.358 1.995 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc2n1CCCCC2 ZINC000336460577 176363859 /nfs/dbraw/zinc/36/38/59/176363859.db2.gz CNOSAPGWCOBUCH-GHMZBOCLSA-N 1 2 234.347 1.987 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)CCn1cc[nH+]c1 ZINC000336411343 176364433 /nfs/dbraw/zinc/36/44/33/176364433.db2.gz VFSKYHUWVMWHQK-NXEZZACHSA-N 1 2 207.277 1.283 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000354286925 176387515 /nfs/dbraw/zinc/38/75/15/176387515.db2.gz YYFOYMVJVWTEAW-RKDXNWHRSA-N 1 2 207.277 1.414 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271707356 176392859 /nfs/dbraw/zinc/39/28/59/176392859.db2.gz NRKOJAGVPJHLLN-NXEZZACHSA-N 1 2 236.319 1.218 20 0 BDADLO C[C@@H]1C[C@@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000370747337 176398452 /nfs/dbraw/zinc/39/84/52/176398452.db2.gz NBRQUJOFVLOCJK-ZJUUUORDSA-N 1 2 214.272 1.510 20 0 BDADLO C[C@H](NCc1c[nH+]cn1C)C(F)(F)F ZINC000308605590 176881818 /nfs/dbraw/zinc/88/18/18/176881818.db2.gz PNVGIDQSAKJPMT-LURJTMIESA-N 1 2 207.199 1.461 20 0 BDADLO C[C@@H](O)[C@H](C)SCc1[nH+]ccn1C ZINC000079039918 177028262 /nfs/dbraw/zinc/02/82/62/177028262.db2.gz LDFARGZHFNWJOE-SFYZADRCSA-N 1 2 200.307 1.423 20 0 BDADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccco1 ZINC000093420117 177030939 /nfs/dbraw/zinc/03/09/39/177030939.db2.gz KZMHJRXXJXJPMJ-NXEZZACHSA-N 1 2 245.344 1.533 20 0 BDADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccco1 ZINC000093420117 177030940 /nfs/dbraw/zinc/03/09/40/177030940.db2.gz KZMHJRXXJXJPMJ-NXEZZACHSA-N 1 2 245.344 1.533 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccccn1 ZINC000665854496 487636696 /nfs/dbraw/zinc/63/66/96/487636696.db2.gz UWGDHEDNBOGKIB-NXEZZACHSA-N 1 2 242.282 1.557 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCn2cnnc2C1 ZINC000357614988 177045858 /nfs/dbraw/zinc/04/58/58/177045858.db2.gz NEVACFZWGVSQJS-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCn2cnnc2C1 ZINC000357614988 177045859 /nfs/dbraw/zinc/04/58/59/177045859.db2.gz NEVACFZWGVSQJS-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC1OCCO1 ZINC000182105289 177047764 /nfs/dbraw/zinc/04/77/64/177047764.db2.gz RCZBTWOKDBHTTH-SECBINFHSA-N 1 2 211.261 1.645 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC1OCCO1 ZINC000182105289 177047765 /nfs/dbraw/zinc/04/77/65/177047765.db2.gz RCZBTWOKDBHTTH-SECBINFHSA-N 1 2 211.261 1.645 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000329841671 177054411 /nfs/dbraw/zinc/05/44/11/177054411.db2.gz WVOGGEHPLVMSOU-MNOVXSKESA-N 1 2 246.318 1.020 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000329841671 177054412 /nfs/dbraw/zinc/05/44/12/177054412.db2.gz WVOGGEHPLVMSOU-MNOVXSKESA-N 1 2 246.318 1.020 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1coc2ccccc12 ZINC000123421640 177060157 /nfs/dbraw/zinc/06/01/57/177060157.db2.gz IXPMLFACVNSANZ-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1coc2ccccc12 ZINC000123421640 177060158 /nfs/dbraw/zinc/06/01/58/177060158.db2.gz IXPMLFACVNSANZ-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1CCCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332869555 177107410 /nfs/dbraw/zinc/10/74/10/177107410.db2.gz VFSIGNYTYFOUFO-UWVGGRQHSA-N 1 2 248.330 1.461 20 0 BDADLO C[C@H]1CCCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332869555 177107412 /nfs/dbraw/zinc/10/74/12/177107412.db2.gz VFSIGNYTYFOUFO-UWVGGRQHSA-N 1 2 248.330 1.461 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000120137416 177113545 /nfs/dbraw/zinc/11/35/45/177113545.db2.gz MXJANEJZAONUBS-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000105067115 177124534 /nfs/dbraw/zinc/12/45/34/177124534.db2.gz RCUUIQHAUJXVKH-QWRGUYRKSA-N 1 2 236.319 1.371 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000274454667 177139985 /nfs/dbraw/zinc/13/99/85/177139985.db2.gz TVIUKWZEOGZJBF-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)[C@@H]1CO ZINC000227168668 177172196 /nfs/dbraw/zinc/17/21/96/177172196.db2.gz XLBLXPXAFNCNNT-GXFFZTMASA-N 1 2 245.326 1.780 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000284164313 177210766 /nfs/dbraw/zinc/21/07/66/177210766.db2.gz XJECWJKZLGMPHS-FSIBCCDJSA-N 1 2 235.287 1.060 20 0 BDADLO C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)[C@H]1C ZINC000294014896 177218806 /nfs/dbraw/zinc/21/88/06/177218806.db2.gz IVOLPXQIUPHRHI-QWRGUYRKSA-N 1 2 243.310 1.744 20 0 BDADLO C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C ZINC000267606770 177220874 /nfs/dbraw/zinc/22/08/74/177220874.db2.gz GFTSTUWLJRYYQE-QWRGUYRKSA-N 1 2 236.319 1.181 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](C)[C@H]1C ZINC000296990997 177221186 /nfs/dbraw/zinc/22/11/86/177221186.db2.gz GDCOOHYMDGOHLX-HBNTYKKESA-N 1 2 236.319 1.321 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)C[C@H](C2CC2)O1 ZINC000280545117 177262563 /nfs/dbraw/zinc/26/25/63/177262563.db2.gz JOPNUAKWTOFVCN-JOYOIKCWSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H](C2CC2)O1 ZINC000280545117 177262564 /nfs/dbraw/zinc/26/25/64/177262564.db2.gz JOPNUAKWTOFVCN-JOYOIKCWSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@H]1C[NH+](Cc2cnn3ccccc23)C[C@H](C)O1 ZINC000179194250 177269004 /nfs/dbraw/zinc/26/90/04/177269004.db2.gz DKYCKBIRZNVKKC-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(CC(F)F)c2)CCO1 ZINC000294767764 177269243 /nfs/dbraw/zinc/26/92/43/177269243.db2.gz ARWUJXVNNKUGDE-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)CCO1 ZINC000294767764 177269245 /nfs/dbraw/zinc/26/92/45/177269245.db2.gz ARWUJXVNNKUGDE-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)s2)C[C@H](C)O1 ZINC000086765605 177269380 /nfs/dbraw/zinc/26/93/80/177269380.db2.gz ZEEDAKRHJFWZMU-OCAPTIKFSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)s2)C[C@H](C)O1 ZINC000086765605 177269381 /nfs/dbraw/zinc/26/93/81/177269381.db2.gz ZEEDAKRHJFWZMU-OCAPTIKFSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000360134711 177270138 /nfs/dbraw/zinc/27/01/38/177270138.db2.gz XQZIPBUNWSYDFF-BQBZGAKWSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000360134711 177270140 /nfs/dbraw/zinc/27/01/40/177270140.db2.gz XQZIPBUNWSYDFF-BQBZGAKWSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000109834221 177270273 /nfs/dbraw/zinc/27/02/73/177270273.db2.gz JAWADDGGPQFKKL-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1C[N@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1O ZINC000351808597 177272201 /nfs/dbraw/zinc/27/22/01/177272201.db2.gz JRUYUGATZQDGKZ-DTWKUNHWSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1C[N@@H+](Cc2noc(C(C)(C)C)n2)C[C@H]1O ZINC000351808597 177272202 /nfs/dbraw/zinc/27/22/02/177272202.db2.gz JRUYUGATZQDGKZ-DTWKUNHWSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H]1O ZINC000351510116 177278086 /nfs/dbraw/zinc/27/80/86/177278086.db2.gz OLEYKGQKXLUJIO-CABZTGNLSA-N 1 2 231.299 1.390 20 0 BDADLO C[C@H]1COC[C@H](C)[NH+]1Cc1ccncc1F ZINC000336226248 177299834 /nfs/dbraw/zinc/29/98/34/177299834.db2.gz PDZIOOBHSRGWQK-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2)[C@@H](C)CO1 ZINC000298263768 177301935 /nfs/dbraw/zinc/30/19/35/177301935.db2.gz BZFJFUHCOPXORE-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2)[C@@H](C)CO1 ZINC000298263768 177301936 /nfs/dbraw/zinc/30/19/36/177301936.db2.gz BZFJFUHCOPXORE-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000336410757 177338143 /nfs/dbraw/zinc/33/81/43/177338143.db2.gz KOBPIIARMPHBLC-NKWVEPMBSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ncc(Cl)s1 ZINC000336410757 177338145 /nfs/dbraw/zinc/33/81/45/177338145.db2.gz KOBPIIARMPHBLC-NKWVEPMBSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000354207507 177342199 /nfs/dbraw/zinc/34/21/99/177342199.db2.gz WLTMONNHRSOWIU-DTWKUNHWSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000265824141 177354833 /nfs/dbraw/zinc/35/48/33/177354833.db2.gz XQIKMTZGBYIGNA-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO COCC[C@@H](C)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000674864935 487638283 /nfs/dbraw/zinc/63/82/83/487638283.db2.gz MKKMBXUCGBGUCC-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H]1NC(=O)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000281657099 177393370 /nfs/dbraw/zinc/39/33/70/177393370.db2.gz OFHSHAMJJTZNIZ-SCZZXKLOSA-N 1 2 246.314 1.433 20 0 BDADLO COCC[C@@H](C)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000674864935 487638286 /nfs/dbraw/zinc/63/82/86/487638286.db2.gz MKKMBXUCGBGUCC-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H]1[NH2+]CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H]1C ZINC000262715818 177396681 /nfs/dbraw/zinc/39/66/81/177396681.db2.gz DNYBDRWLPNBIFR-RKDXNWHRSA-N 1 2 248.330 1.110 20 0 BDADLO C[C@]1([NH2+]Cc2cccc3cc[nH]c32)CCOC1=O ZINC000289946052 177470747 /nfs/dbraw/zinc/47/07/47/177470747.db2.gz XEKABVBYBRXYRH-AWEZNQCLSA-N 1 2 244.294 1.963 20 0 BDADLO CCc1cc(NCCc2cn(C)c[nH+]2)ncn1 ZINC000313443999 487641879 /nfs/dbraw/zinc/64/18/79/487641879.db2.gz MVQYQDIONJMBRX-UHFFFAOYSA-N 1 2 231.303 1.427 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000488360306 225387085 /nfs/dbraw/zinc/38/70/85/225387085.db2.gz BAHMGANLBAUJAP-KOLCDFICSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488360306 225387090 /nfs/dbraw/zinc/38/70/90/225387090.db2.gz BAHMGANLBAUJAP-KOLCDFICSA-N 1 2 249.362 1.659 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)C[C@@H]1OC ZINC000487963024 225335803 /nfs/dbraw/zinc/33/58/03/225335803.db2.gz ZPLKIQJVRLVSAQ-GARJFASQSA-N 1 2 240.303 1.390 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)C[C@@H]1OC ZINC000487963024 225335809 /nfs/dbraw/zinc/33/58/09/225335809.db2.gz ZPLKIQJVRLVSAQ-GARJFASQSA-N 1 2 240.303 1.390 20 0 BDADLO Cc1cc(N2CCC23CCOCC3)nc[nH+]1 ZINC000683397049 487646711 /nfs/dbraw/zinc/64/67/11/487646711.db2.gz SLRIWDYTXICVSR-UHFFFAOYSA-N 1 2 219.288 1.544 20 0 BDADLO O=C(/C=C/C1CCOCC1)NCCc1[nH]cc[nH+]1 ZINC000492091405 225928933 /nfs/dbraw/zinc/92/89/33/225928933.db2.gz SZJCBOZCXVAAPS-OWOJBTEDSA-N 1 2 249.314 1.051 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492868660 226071867 /nfs/dbraw/zinc/07/18/67/226071867.db2.gz TXIZVFBOXRAFCE-UHGNHILRSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccoc1 ZINC000492906302 226081696 /nfs/dbraw/zinc/08/16/96/226081696.db2.gz ALFRDHXEPBCALO-OWOJBTEDSA-N 1 2 217.228 1.332 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOCC12CCC2 ZINC000493003812 226102558 /nfs/dbraw/zinc/10/25/58/226102558.db2.gz IPEFXTAYUFHXDX-IHWYPQMZSA-N 1 2 247.298 1.204 20 0 BDADLO C[C@]1(CO)CCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493320342 226185107 /nfs/dbraw/zinc/18/51/07/226185107.db2.gz LJIBKRCFGBNYSU-OERKHBLVSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1C[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493328907 226188164 /nfs/dbraw/zinc/18/81/64/226188164.db2.gz WEFLZGFDSBWNMG-WUNPDAOYSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCOC(F)F ZINC000493330121 226188291 /nfs/dbraw/zinc/18/82/91/226188291.db2.gz XRVNJVPXWLKTTI-NSCUHMNNSA-N 1 2 245.229 1.168 20 0 BDADLO C[C@@H]1CSCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493068252 226117293 /nfs/dbraw/zinc/11/72/93/226117293.db2.gz CRVCITIYXJYTHJ-GKQMSVHHSA-N 1 2 237.328 1.387 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CC12CC2 ZINC000493082590 226120377 /nfs/dbraw/zinc/12/03/77/226120377.db2.gz IDQQCPQHQOTARF-GPYPMJJRSA-N 1 2 217.272 1.339 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493110669 226129680 /nfs/dbraw/zinc/12/96/80/226129680.db2.gz BJYMSSHDRZOMHP-ALCGYSGWSA-N 1 2 237.328 1.291 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493126142 226134364 /nfs/dbraw/zinc/13/43/64/226134364.db2.gz QDVQCAVOARQZSS-XIJCSBCJSA-N 1 2 249.314 1.354 20 0 BDADLO COC1([C@@H](C)NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493143148 226138067 /nfs/dbraw/zinc/13/80/67/226138067.db2.gz ACAYQRXADZSDJL-ORAHPGNNSA-N 1 2 249.314 1.497 20 0 BDADLO CCc1onc(C)c1NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493166989 226143812 /nfs/dbraw/zinc/14/38/12/226143812.db2.gz ZQDWAXCSHBGHRY-PLNGDYQASA-N 1 2 246.270 1.920 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000493348227 226191920 /nfs/dbraw/zinc/19/19/20/226191920.db2.gz DNJIMZSYZSFCDH-SPXIEQKPSA-N 1 2 247.298 1.107 20 0 BDADLO COCC1(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493274082 226173039 /nfs/dbraw/zinc/17/30/39/226173039.db2.gz ZTVODAFDQDRSNN-NSCUHMNNSA-N 1 2 249.314 1.356 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1CCCC1 ZINC000493287401 226174984 /nfs/dbraw/zinc/17/49/84/226174984.db2.gz MLUGIEKPFFDZQX-AATRIKPKSA-N 1 2 219.288 1.729 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC=C(F)C1 ZINC000493283377 226175474 /nfs/dbraw/zinc/17/54/74/226175474.db2.gz HOSWMRJQWGNMFU-ONEGZZNKSA-N 1 2 221.235 1.509 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCCF ZINC000493398299 226204688 /nfs/dbraw/zinc/20/46/88/226204688.db2.gz HTAAADLSFFQVQY-ARJAWSKDSA-N 1 2 211.240 1.289 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000493397237 226205366 /nfs/dbraw/zinc/20/53/66/226205366.db2.gz FTOLHHVLAFZNMY-VMZVSEJASA-N 1 2 233.315 1.926 20 0 BDADLO C[C@H]1COC(C)(C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493470698 226225926 /nfs/dbraw/zinc/22/59/26/226225926.db2.gz ZZLUNWWLKASXMD-YEZKRMTDSA-N 1 2 249.314 1.449 20 0 BDADLO COCCCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493674388 226248621 /nfs/dbraw/zinc/24/86/21/226248621.db2.gz OPIOADLBFCDEEW-AATRIKPKSA-N 1 2 237.303 1.356 20 0 BDADLO C[C@@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000493688102 226249376 /nfs/dbraw/zinc/24/93/76/226249376.db2.gz HVEGYARQWQEMES-MVZIDQBPSA-N 1 2 235.287 1.108 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCC1 ZINC000493750866 226252255 /nfs/dbraw/zinc/25/22/55/226252255.db2.gz UUONPAOCJCMXHL-AATRIKPKSA-N 1 2 205.261 1.434 20 0 BDADLO C[C@H](O)[C@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493798197 226254717 /nfs/dbraw/zinc/25/47/17/226254717.db2.gz WENNLUUIKSFECT-TUISVCKWSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCOCC1 ZINC000493851638 226257295 /nfs/dbraw/zinc/25/72/95/226257295.db2.gz JPKQDGVOEFVJNR-PBKGFPTLSA-N 1 2 249.314 1.354 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)OCC1CC1 ZINC000496448895 226305201 /nfs/dbraw/zinc/30/52/01/226305201.db2.gz DZTMCKXDIDOCSN-SECBINFHSA-N 1 2 223.276 1.408 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CCSCC1 ZINC000402115739 226364769 /nfs/dbraw/zinc/36/47/69/226364769.db2.gz CQFXYTLZFGGGJH-UHFFFAOYSA-N 1 2 225.317 1.169 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CCSCC1 ZINC000402115739 226364770 /nfs/dbraw/zinc/36/47/70/226364770.db2.gz CQFXYTLZFGGGJH-UHFFFAOYSA-N 1 2 225.317 1.169 20 0 BDADLO CCCSC[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000895530068 583685043 /nfs/dbraw/zinc/68/50/43/583685043.db2.gz BJXNGDHTPPQBKI-MRVPVSSYSA-N 1 2 214.338 1.426 20 0 BDADLO CCn1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cn1 ZINC000557514653 322938637 /nfs/dbraw/zinc/93/86/37/322938637.db2.gz OQLCVBGWLQRKME-JTQLQIEISA-N 1 2 236.319 1.182 20 0 BDADLO Cc1cn(Cc2[nH+]ccn2C(F)F)nn1 ZINC000087576370 487668975 /nfs/dbraw/zinc/66/89/75/487668975.db2.gz VXGATFRIMRLMKS-UHFFFAOYSA-N 1 2 213.191 1.226 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]2C[C@@H]21 ZINC000672129316 487669918 /nfs/dbraw/zinc/66/99/18/487669918.db2.gz XETNVBXMGXJKGT-UTUOFQBUSA-N 1 2 245.326 1.456 20 0 BDADLO Cc1nc(N(CCO)C(C)C)c2c([nH+]1)CCCC2 ZINC000683531443 487670805 /nfs/dbraw/zinc/67/08/05/487670805.db2.gz DNUZPUOLMWNYCF-UHFFFAOYSA-N 1 2 249.358 1.871 20 0 BDADLO CCc1cc(C)nc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000680958437 487679990 /nfs/dbraw/zinc/67/99/90/487679990.db2.gz SPGUDRLWKOJYIS-UHFFFAOYSA-N 1 2 243.314 1.605 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)NCC1CC1 ZINC000278593422 487685150 /nfs/dbraw/zinc/68/51/50/487685150.db2.gz LGTRRSTUCJJWEM-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H]1c1cc[nH]n1)NCC1CC1 ZINC000278593422 487685157 /nfs/dbraw/zinc/68/51/57/487685157.db2.gz LGTRRSTUCJJWEM-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO O=C1NCCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000665740889 487690582 /nfs/dbraw/zinc/69/05/82/487690582.db2.gz QOFXQHZLOCXKAS-JTQLQIEISA-N 1 2 246.314 1.292 20 0 BDADLO COC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000280112677 487697466 /nfs/dbraw/zinc/69/74/66/487697466.db2.gz BZJAOADXCQUDNZ-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccnc(C)c1 ZINC000527533503 262861534 /nfs/dbraw/zinc/86/15/34/262861534.db2.gz JYFQFNREIPWDLP-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccnc(C)c1 ZINC000527533503 262861535 /nfs/dbraw/zinc/86/15/35/262861535.db2.gz JYFQFNREIPWDLP-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cnc(C)s2)n1 ZINC000527738068 262881044 /nfs/dbraw/zinc/88/10/44/262881044.db2.gz XHBUULMLFBKSJD-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1ccncc1F ZINC000527917270 262894420 /nfs/dbraw/zinc/89/44/20/262894420.db2.gz SPUUUXRQPXSZKL-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)c2ccccc21 ZINC000398040521 262942063 /nfs/dbraw/zinc/94/20/63/262942063.db2.gz PTEZVIWHSVBUBR-JOYOIKCWSA-N 1 2 243.314 1.548 20 0 BDADLO C[C@H]([NH2+]CC1OCCO1)c1ncccc1F ZINC000528822478 262976426 /nfs/dbraw/zinc/97/64/26/262976426.db2.gz GUSGDEFOFGCKLM-QMMMGPOBSA-N 1 2 226.251 1.244 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CC(F)(F)CO)CS1 ZINC000228648156 487700127 /nfs/dbraw/zinc/70/01/27/487700127.db2.gz TXQBYRLSMMDWKI-BQBZGAKWSA-N 1 2 211.277 1.098 20 0 BDADLO CN(CC(F)(F)F)C(=O)NCc1[nH]cc[nH+]1 ZINC000669704187 487700773 /nfs/dbraw/zinc/70/07/73/487700773.db2.gz ICOSVRHKNBBBSB-UHFFFAOYSA-N 1 2 236.197 1.113 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCCF ZINC000671711037 487702799 /nfs/dbraw/zinc/70/27/99/487702799.db2.gz SBHHVEQVQOSCBL-JGVFFNPUSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCCF ZINC000671711037 487702804 /nfs/dbraw/zinc/70/28/04/487702804.db2.gz SBHHVEQVQOSCBL-JGVFFNPUSA-N 1 2 229.217 1.998 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671714583 487703930 /nfs/dbraw/zinc/70/39/30/487703930.db2.gz YXICZUJQYDYHPI-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671714583 487703934 /nfs/dbraw/zinc/70/39/34/487703934.db2.gz YXICZUJQYDYHPI-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(F)F ZINC000671719642 487707002 /nfs/dbraw/zinc/70/70/02/487707002.db2.gz PLGBTUILHGAZFL-ZJUUUORDSA-N 1 2 234.290 1.047 20 0 BDADLO Cc1cncc([C@H](C)[NH2+]Cc2cn(C)nn2)c1 ZINC000681053697 487708261 /nfs/dbraw/zinc/70/82/61/487708261.db2.gz BAPOFKQVEXJASS-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1occ2c1CCC2 ZINC000671718380 487708408 /nfs/dbraw/zinc/70/84/08/487708408.db2.gz CWPDNOLVDGKGPZ-UHFFFAOYSA-N 1 2 245.282 1.464 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@@H](C)OC)s1 ZINC000671737451 487716094 /nfs/dbraw/zinc/71/60/94/487716094.db2.gz ULJGPJCQJLCYIB-MRVPVSSYSA-N 1 2 229.349 1.567 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@@H](C)OC)s1 ZINC000671737451 487716099 /nfs/dbraw/zinc/71/60/99/487716099.db2.gz ULJGPJCQJLCYIB-MRVPVSSYSA-N 1 2 229.349 1.567 20 0 BDADLO O=C(NC1CC=CC1)c1ccc2[nH+]ccn2c1 ZINC000675368521 487720157 /nfs/dbraw/zinc/72/01/57/487720157.db2.gz YOTJEXWJQSIWED-UHFFFAOYSA-N 1 2 227.267 1.783 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc2c(s1)CCC2 ZINC000668421678 487723854 /nfs/dbraw/zinc/72/38/54/487723854.db2.gz BBVYFGDVSSZZRC-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc2c(s1)CCC2 ZINC000668421678 487723862 /nfs/dbraw/zinc/72/38/62/487723862.db2.gz BBVYFGDVSSZZRC-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000681105713 487725890 /nfs/dbraw/zinc/72/58/90/487725890.db2.gz GRLBWWKJDQUKCG-ZDEQEGDKSA-N 1 2 247.342 1.949 20 0 BDADLO CC[N@H+]1CCN(C[C@@H](O)C(C)C)C[C@H]1C ZINC000250356876 487731055 /nfs/dbraw/zinc/73/10/55/487731055.db2.gz SLBHAEBFNUIHLB-VXGBXAGGSA-N 1 2 214.353 1.029 20 0 BDADLO C1=CC[C@@H](Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000665701850 487734660 /nfs/dbraw/zinc/73/46/60/487734660.db2.gz JVBCHMQPZOAZNS-SECBINFHSA-N 1 2 232.287 1.802 20 0 BDADLO C1=CC[C@@H](Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000665701850 487734669 /nfs/dbraw/zinc/73/46/69/487734669.db2.gz JVBCHMQPZOAZNS-SECBINFHSA-N 1 2 232.287 1.802 20 0 BDADLO C[C@@H](Nc1nc[nH+]c2c1OCCN2)C1CCC1 ZINC000665709002 487735965 /nfs/dbraw/zinc/73/59/65/487735965.db2.gz NMHBYYZOBXFFDE-MRVPVSSYSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1OCCN2)C1CCC1 ZINC000665709002 487735969 /nfs/dbraw/zinc/73/59/69/487735969.db2.gz NMHBYYZOBXFFDE-MRVPVSSYSA-N 1 2 234.303 1.881 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccn2C)on1 ZINC000675505850 487743569 /nfs/dbraw/zinc/74/35/69/487743569.db2.gz KRDCYMKLDDWYHL-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccn2C)on1 ZINC000675505850 487743574 /nfs/dbraw/zinc/74/35/74/487743574.db2.gz KRDCYMKLDDWYHL-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2c[nH]ccc2=O)CC1 ZINC000675564479 487749159 /nfs/dbraw/zinc/74/91/59/487749159.db2.gz VDWDXZTTYUUOQF-UHFFFAOYSA-N 1 2 249.314 1.045 20 0 BDADLO C[C@H](CCCO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651479398 487751659 /nfs/dbraw/zinc/75/16/59/487751659.db2.gz YVOQUZLCEBXKNE-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000291342170 487758293 /nfs/dbraw/zinc/75/82/93/487758293.db2.gz WWCCOSUPGMXFES-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000291342170 487758297 /nfs/dbraw/zinc/75/82/97/487758297.db2.gz WWCCOSUPGMXFES-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000672777849 487768883 /nfs/dbraw/zinc/76/88/83/487768883.db2.gz FEDDXCKRTZSVTI-VIFPVBQESA-N 1 2 221.304 1.125 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668448563 487770601 /nfs/dbraw/zinc/77/06/01/487770601.db2.gz RGKCBSAKECTQRE-MYJAWHEDSA-N 1 2 219.288 1.414 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000302197507 487775244 /nfs/dbraw/zinc/77/52/44/487775244.db2.gz XSXCSVDGKVSOAQ-MRVPVSSYSA-N 1 2 243.257 1.804 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@@H]1F ZINC000679190161 487775812 /nfs/dbraw/zinc/77/58/12/487775812.db2.gz JMFVWNLIQUTGIG-WPRPVWTQSA-N 1 2 249.293 1.548 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccc(F)c1F ZINC000047263003 487778232 /nfs/dbraw/zinc/77/82/32/487778232.db2.gz XQFAMGRCEDMWRE-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccc(F)c1F ZINC000047263003 487778237 /nfs/dbraw/zinc/77/82/37/487778237.db2.gz XQFAMGRCEDMWRE-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO FC[C@@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413304968 487778244 /nfs/dbraw/zinc/77/82/44/487778244.db2.gz YUIMXTNTVKAUOJ-JTQLQIEISA-N 1 2 236.294 1.989 20 0 BDADLO FC[C@@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000413304968 487778247 /nfs/dbraw/zinc/77/82/47/487778247.db2.gz YUIMXTNTVKAUOJ-JTQLQIEISA-N 1 2 236.294 1.989 20 0 BDADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)c1ccco1 ZINC000681343530 487780775 /nfs/dbraw/zinc/78/07/75/487780775.db2.gz SJWOTNSSMGHCTH-JTQLQIEISA-N 1 2 247.298 1.476 20 0 BDADLO Cc1ncoc1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356125 487782503 /nfs/dbraw/zinc/78/25/03/487782503.db2.gz KSDKDLSRAXDFSI-UHFFFAOYSA-N 1 2 246.270 1.118 20 0 BDADLO Cc1ccc(NC(=O)NC/C=C\CO)c(C)[nH+]1 ZINC000666314308 487784321 /nfs/dbraw/zinc/78/43/21/487784321.db2.gz GHAVRJVLCVOUDG-ARJAWSKDSA-N 1 2 235.287 1.368 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000681363302 487784872 /nfs/dbraw/zinc/78/48/72/487784872.db2.gz QSXIWQZREIBKOX-GHMZBOCLSA-N 1 2 245.326 1.554 20 0 BDADLO Cc1cc(N[C@@H]2CCCC(F)(F)[C@H]2O)nc[nH+]1 ZINC000413568028 487785814 /nfs/dbraw/zinc/78/58/14/487785814.db2.gz CIUBBIFQQBATQI-SCZZXKLOSA-N 1 2 243.257 1.746 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666352178 487792160 /nfs/dbraw/zinc/79/21/60/487792160.db2.gz PYYPAMYRPLQISA-QJPTWQEYSA-N 1 2 233.315 1.436 20 0 BDADLO CC[N@H+](CCOC)CC(=O)OCC(C)C ZINC000776578114 585700873 /nfs/dbraw/zinc/70/08/73/585700873.db2.gz DOEXAMFFGVEXQQ-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO CC[N@@H+](CCOC)CC(=O)OCC(C)C ZINC000776578114 585700874 /nfs/dbraw/zinc/70/08/74/585700874.db2.gz DOEXAMFFGVEXQQ-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC12CCC2 ZINC000676065893 487807606 /nfs/dbraw/zinc/80/76/06/487807606.db2.gz NHPHIGUBBKMCQN-GFCCVEGCSA-N 1 2 247.342 1.922 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncccc1F ZINC000666449910 487811609 /nfs/dbraw/zinc/81/16/09/487811609.db2.gz JYCDYRKUFHRWHJ-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681550939 487813134 /nfs/dbraw/zinc/81/31/34/487813134.db2.gz JCPYWZATXHSTAM-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000649883705 487812777 /nfs/dbraw/zinc/81/27/77/487812777.db2.gz ZLDYMNAVNNRROZ-ZDUSSCGKSA-N 1 2 235.331 1.594 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000649883705 487812781 /nfs/dbraw/zinc/81/27/81/487812781.db2.gz ZLDYMNAVNNRROZ-ZDUSSCGKSA-N 1 2 235.331 1.594 20 0 BDADLO Cn1ccnc1[C@@H](N[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000681563189 487816792 /nfs/dbraw/zinc/81/67/92/487816792.db2.gz NORIXSDTAVSIOR-STQMWFEESA-N 1 2 248.374 1.555 20 0 BDADLO Cn1ccnc1[C@@H](N[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000681563189 487816798 /nfs/dbraw/zinc/81/67/98/487816798.db2.gz NORIXSDTAVSIOR-STQMWFEESA-N 1 2 248.374 1.555 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC(C(F)F)C1 ZINC000676196484 487818557 /nfs/dbraw/zinc/81/85/57/487818557.db2.gz LBFNVAKWGXQOEI-UHFFFAOYSA-N 1 2 239.229 1.065 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C)O)cc[nH+]1 ZINC000666489112 487818886 /nfs/dbraw/zinc/81/88/86/487818886.db2.gz AHJAGPUMDORJQW-CMPLNLGQSA-N 1 2 249.314 1.189 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1COC(C)(C)C1 ZINC000666493194 487821081 /nfs/dbraw/zinc/82/10/81/487821081.db2.gz SVOUVTXDJQALPI-SNVBAGLBSA-N 1 2 249.314 1.501 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000666491943 487820919 /nfs/dbraw/zinc/82/09/19/487820919.db2.gz ICAIOVWCVIJPDQ-HAQNSBGRSA-N 1 2 249.314 1.501 20 0 BDADLO CCOCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795649099 586090099 /nfs/dbraw/zinc/09/00/99/586090099.db2.gz BBWYYSMDXVPKQK-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795649099 586090100 /nfs/dbraw/zinc/09/01/00/586090100.db2.gz BBWYYSMDXVPKQK-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1ncsc1C[N@H+](C)CC[S@@](C)=O ZINC000798194480 586139242 /nfs/dbraw/zinc/13/92/42/586139242.db2.gz DXLGNERDZPZXID-CQSZACIVSA-N 1 2 232.374 1.262 20 0 BDADLO Cc1ncsc1C[N@@H+](C)CC[S@@](C)=O ZINC000798194480 586139243 /nfs/dbraw/zinc/13/92/43/586139243.db2.gz DXLGNERDZPZXID-CQSZACIVSA-N 1 2 232.374 1.262 20 0 BDADLO CC[C@@H](NCc1[nH]cc[nH+]1)C(=O)OC(C)(C)C ZINC000558204266 322947340 /nfs/dbraw/zinc/94/73/40/322947340.db2.gz VXQNSMVLAZNFGY-SECBINFHSA-N 1 2 239.319 1.620 20 0 BDADLO CCc1cc(N[C@@H](C)c2nnc(C)o2)nc[nH+]1 ZINC000676312996 487836132 /nfs/dbraw/zinc/83/61/32/487836132.db2.gz GWNJDUQDZIQGEH-ZETCQYMHSA-N 1 2 233.275 1.904 20 0 BDADLO CC[C@@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851726883 588618203 /nfs/dbraw/zinc/61/82/03/588618203.db2.gz XCBDIYIVIYDZKY-MRVPVSSYSA-N 1 2 209.236 1.336 20 0 BDADLO CC[C@@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851726883 588618204 /nfs/dbraw/zinc/61/82/04/588618204.db2.gz XCBDIYIVIYDZKY-MRVPVSSYSA-N 1 2 209.236 1.336 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000681699001 487842507 /nfs/dbraw/zinc/84/25/07/487842507.db2.gz QBNGSBKEILPZBM-STQMWFEESA-N 1 2 245.326 1.812 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCCC1CC1 ZINC000871734122 589801338 /nfs/dbraw/zinc/80/13/38/589801338.db2.gz AFYYNEKWTLCAEX-MRVPVSSYSA-N 1 2 200.282 1.710 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(Cl)cs1 ZINC000877573008 590363047 /nfs/dbraw/zinc/36/30/47/590363047.db2.gz VHOBYCMBTKVVBD-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO CCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660249136 487847080 /nfs/dbraw/zinc/84/70/80/487847080.db2.gz YOIUEHGFSKDTLR-MRVPVSSYSA-N 1 2 210.281 1.190 20 0 BDADLO c1ncn(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000676412979 487848987 /nfs/dbraw/zinc/84/89/87/487848987.db2.gz JZPLMKJRWAFIPJ-UHFFFAOYSA-N 1 2 244.298 1.100 20 0 BDADLO CC1CCN(c2ccc(CNC(N)=O)c[nH+]2)CC1 ZINC000078449709 487850593 /nfs/dbraw/zinc/85/05/93/487850593.db2.gz PCWIJOIBHBRESW-UHFFFAOYSA-N 1 2 248.330 1.486 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCCO1 ZINC000676430596 487851076 /nfs/dbraw/zinc/85/10/76/487851076.db2.gz KNCSTPKTRPPRIP-LLVKDONJSA-N 1 2 245.282 1.842 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCC1(C)C ZINC000558515156 322951429 /nfs/dbraw/zinc/95/14/29/322951429.db2.gz LUEIRNDOHWRPKO-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668498257 487854636 /nfs/dbraw/zinc/85/46/36/487854636.db2.gz PEVSOEAPBVXHAQ-HLTSFMKQSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668498257 487854640 /nfs/dbraw/zinc/85/46/40/487854640.db2.gz PEVSOEAPBVXHAQ-HLTSFMKQSA-N 1 2 205.248 1.344 20 0 BDADLO CCn1cc[nH+]c1CNc1ccc(C)nn1 ZINC000395469715 487859249 /nfs/dbraw/zinc/85/92/49/487859249.db2.gz WRZCBHUBHOMKDW-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO C[C@H](NC(=O)Nc1ccncn1)c1[nH+]ccn1C ZINC000666793927 487861219 /nfs/dbraw/zinc/86/12/19/487861219.db2.gz DGGZNEILTJKYGK-QMMMGPOBSA-N 1 2 246.274 1.093 20 0 BDADLO COCc1nnc(C[NH2+]C[C@H](C)CC(C)C)[nH]1 ZINC000668510060 487866625 /nfs/dbraw/zinc/86/66/25/487866625.db2.gz NQWRKAOAHNEQRD-SNVBAGLBSA-N 1 2 240.351 1.723 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)OCC2CC2)c(C)c[nH+]1 ZINC000676588117 487877938 /nfs/dbraw/zinc/87/79/38/487877938.db2.gz OXDWWQFLBUSMPB-NSHDSACASA-N 1 2 248.326 1.874 20 0 BDADLO CC(C)([NH2+]Cc1cccc(C(N)=O)c1)C(F)F ZINC000684414284 487881451 /nfs/dbraw/zinc/88/14/51/487881451.db2.gz XAMABVIUBORMIB-UHFFFAOYSA-N 1 2 242.269 1.919 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000676686534 487892486 /nfs/dbraw/zinc/89/24/86/487892486.db2.gz PFSHCOOTMIFQGP-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1([C@@H](C)O)CC1 ZINC000667060799 487918860 /nfs/dbraw/zinc/91/88/60/487918860.db2.gz APJFPOSUHCEAMA-SNVBAGLBSA-N 1 2 249.314 1.733 20 0 BDADLO CC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000669910268 487919377 /nfs/dbraw/zinc/91/93/77/487919377.db2.gz SAUXQMWVXHDQEJ-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC[C@@H]1CCOC1 ZINC000682164886 487921776 /nfs/dbraw/zinc/92/17/76/487921776.db2.gz BSORSZWFZITEHP-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC[C@@H]1CCOC1 ZINC000682164886 487921779 /nfs/dbraw/zinc/92/17/79/487921779.db2.gz BSORSZWFZITEHP-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2CC(F)(F)C[C@@H]2CO)CCO1 ZINC000682165631 487922540 /nfs/dbraw/zinc/92/25/40/487922540.db2.gz XGUNTSXDHRLPFN-OUAUKWLOSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2CC(F)(F)C[C@@H]2CO)CCO1 ZINC000682165631 487922543 /nfs/dbraw/zinc/92/25/43/487922543.db2.gz XGUNTSXDHRLPFN-OUAUKWLOSA-N 1 2 249.301 1.503 20 0 BDADLO C[N@H+](Cc1ncnn1C(C)(C)C)C(C)(C)CO ZINC000669930103 487932030 /nfs/dbraw/zinc/93/20/30/487932030.db2.gz RSMBNDSHARLECY-UHFFFAOYSA-N 1 2 240.351 1.236 20 0 BDADLO C[N@@H+](Cc1ncnn1C(C)(C)C)C(C)(C)CO ZINC000669930103 487932033 /nfs/dbraw/zinc/93/20/33/487932033.db2.gz RSMBNDSHARLECY-UHFFFAOYSA-N 1 2 240.351 1.236 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1COC(C)(C)C1 ZINC000396493607 487936127 /nfs/dbraw/zinc/93/61/27/487936127.db2.gz DUCBOQDRPONQQS-QMMMGPOBSA-N 1 2 247.302 1.343 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1C2CCC1CC2 ZINC000676842437 487936145 /nfs/dbraw/zinc/93/61/45/487936145.db2.gz RRIQGKIMHKBSLD-VOMCLLRMSA-N 1 2 245.326 1.599 20 0 BDADLO C[C@@H]1C[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@@H+]1C ZINC000158189742 487943192 /nfs/dbraw/zinc/94/31/92/487943192.db2.gz FOFWJNWMBNODLE-MWLCHTKSSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@@H]1C[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@H+]1C ZINC000158189742 487943194 /nfs/dbraw/zinc/94/31/94/487943194.db2.gz FOFWJNWMBNODLE-MWLCHTKSSA-N 1 2 249.314 1.674 20 0 BDADLO COCC1(C)CN(c2nc(C)[nH+]cc2C)C1 ZINC000564469509 322964748 /nfs/dbraw/zinc/96/47/48/322964748.db2.gz GIKZBKJOISJMGL-UHFFFAOYSA-N 1 2 221.304 1.566 20 0 BDADLO COCCCCc1noc(Cn2cc[nH+]c2)n1 ZINC000562283170 323014835 /nfs/dbraw/zinc/01/48/35/323014835.db2.gz JQYXCBDVCRROCD-UHFFFAOYSA-N 1 2 236.275 1.284 20 0 BDADLO Cc1nnsc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000562334495 323016680 /nfs/dbraw/zinc/01/66/80/323016680.db2.gz VXVLHLCRVSQKTO-UHFFFAOYSA-N 1 2 248.311 1.533 20 0 BDADLO c1cnc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000562687723 323027737 /nfs/dbraw/zinc/02/77/37/323027737.db2.gz SMGIDXASYRUCJD-KBPBESRZSA-N 1 2 245.326 1.620 20 0 BDADLO c1cnc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000562687723 323027738 /nfs/dbraw/zinc/02/77/38/323027738.db2.gz SMGIDXASYRUCJD-KBPBESRZSA-N 1 2 245.326 1.620 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccncc1C ZINC000569661999 323035852 /nfs/dbraw/zinc/03/58/52/323035852.db2.gz MVFFPDAXCLLKTA-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccncc1C ZINC000569661999 323035853 /nfs/dbraw/zinc/03/58/53/323035853.db2.gz MVFFPDAXCLLKTA-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CN(C)c1nc(C[NH2+][C@H]2CCC2(C)C)ns1 ZINC000569986470 323046596 /nfs/dbraw/zinc/04/65/96/323046596.db2.gz WXHZTHTWEGOXDS-QMMMGPOBSA-N 1 2 240.376 1.882 20 0 BDADLO COc1cc(NCc2[nH]c(C)c(C)[nH+]2)nn1C ZINC000570226689 323053786 /nfs/dbraw/zinc/05/37/86/323053786.db2.gz TWOLWSQWNUQDOO-UHFFFAOYSA-N 1 2 235.291 1.381 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cncs2)cnn1C ZINC000570244657 323053883 /nfs/dbraw/zinc/05/38/83/323053883.db2.gz TVUZUUHGCRLBHX-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cncs2)cnn1C ZINC000570244657 323053884 /nfs/dbraw/zinc/05/38/84/323053884.db2.gz TVUZUUHGCRLBHX-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CCOC(=O)c1noc(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000570259443 323054300 /nfs/dbraw/zinc/05/43/00/323054300.db2.gz BGRCRRSRZFUHED-HTQZYQBOSA-N 1 2 239.275 1.229 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC(C)(C)C)C(C)C ZINC000154566968 323057539 /nfs/dbraw/zinc/05/75/39/323057539.db2.gz ICILSHKTMTYIGY-JTQLQIEISA-N 1 2 231.336 1.589 20 0 BDADLO c1cn(Cc2nc(Cc3ccccn3)no2)c[nH+]1 ZINC000570374821 323057650 /nfs/dbraw/zinc/05/76/50/323057650.db2.gz BAUNWQSYASACDJ-UHFFFAOYSA-N 1 2 241.254 1.300 20 0 BDADLO OC[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1O ZINC000317678873 323058290 /nfs/dbraw/zinc/05/82/90/323058290.db2.gz PLJWSZJACFIIJQ-DGCLKSJQSA-N 1 2 244.294 1.024 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CC23CC3)[nH+]1 ZINC000570510588 323061832 /nfs/dbraw/zinc/06/18/32/323061832.db2.gz RGWSEQZXDZDDIK-SECBINFHSA-N 1 2 247.346 1.447 20 0 BDADLO CC(C)c1nc(N[C@@H]2CC23CC3)nc(N(C)C)[nH+]1 ZINC000570510588 323061833 /nfs/dbraw/zinc/06/18/33/323061833.db2.gz RGWSEQZXDZDDIK-SECBINFHSA-N 1 2 247.346 1.447 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]([C@@H](C)O)C1 ZINC000160312607 323064622 /nfs/dbraw/zinc/06/46/22/323064622.db2.gz GSSVEJIZORVNRJ-NXEZZACHSA-N 1 2 222.288 1.297 20 0 BDADLO Cc1cc(CNc2cc(NC3CC3)[nH+]cn2)no1 ZINC000570686268 323067196 /nfs/dbraw/zinc/06/71/96/323067196.db2.gz KNEDZVPKECNPCW-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO Cc1cc(CNc2cc(NC3CC3)nc[nH+]2)no1 ZINC000570686268 323067197 /nfs/dbraw/zinc/06/71/97/323067197.db2.gz KNEDZVPKECNPCW-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H](C)c1ccon1 ZINC000570739055 323069165 /nfs/dbraw/zinc/06/91/65/323069165.db2.gz JHOVUNHWHXXXQC-ZCFIWIBFSA-N 1 2 235.247 1.229 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H](C)c1ccon1 ZINC000570739055 323069166 /nfs/dbraw/zinc/06/91/66/323069166.db2.gz JHOVUNHWHXXXQC-ZCFIWIBFSA-N 1 2 235.247 1.229 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCC(=O)C1 ZINC000563181823 323100504 /nfs/dbraw/zinc/10/05/04/323100504.db2.gz JISWQFRTXTYUIN-SECBINFHSA-N 1 2 247.298 1.455 20 0 BDADLO CC[C@H](Nc1nc(N)c2ccccc2[nH+]1)[C@H](C)O ZINC000571032595 323104075 /nfs/dbraw/zinc/10/40/75/323104075.db2.gz MYDCIWPGTUWLDX-WPRPVWTQSA-N 1 2 246.314 1.036 20 0 BDADLO CO[C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567995691 323106902 /nfs/dbraw/zinc/10/69/02/323106902.db2.gz SELHGGVHCUCADZ-WDEREUQCSA-N 1 2 239.319 1.328 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC000563258888 323107034 /nfs/dbraw/zinc/10/70/34/323107034.db2.gz NRESDWHRMSIHIX-HNCHTBHHSA-N 1 2 233.315 1.749 20 0 BDADLO O=C(C[C@H]1CCCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000531502958 323109274 /nfs/dbraw/zinc/10/92/74/323109274.db2.gz QYPAHCFNNMDFLX-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000531829252 323115022 /nfs/dbraw/zinc/11/50/22/323115022.db2.gz NRGQKVSKXGPMFB-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000531829252 323115023 /nfs/dbraw/zinc/11/50/23/323115023.db2.gz NRGQKVSKXGPMFB-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1ncc(CNc2[nH+]c(C)nc3[nH]ccc32)o1 ZINC000563313528 323118785 /nfs/dbraw/zinc/11/87/85/323118785.db2.gz MBMNMJKJOLTRHH-UHFFFAOYSA-N 1 2 243.270 1.597 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1[nH]cc[nH+]1 ZINC000563412951 323124938 /nfs/dbraw/zinc/12/49/38/323124938.db2.gz JPSYEIAFMSHEKO-FSDSQADBSA-N 1 2 247.220 1.785 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000563455903 323127273 /nfs/dbraw/zinc/12/72/73/323127273.db2.gz RNAZVHOPAWCNPZ-JTQLQIEISA-N 1 2 237.303 1.211 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000563455903 323127274 /nfs/dbraw/zinc/12/72/74/323127274.db2.gz RNAZVHOPAWCNPZ-JTQLQIEISA-N 1 2 237.303 1.211 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000563560824 323130045 /nfs/dbraw/zinc/13/00/45/323130045.db2.gz OVFCDLVQVGGEJO-SNVBAGLBSA-N 1 2 233.315 1.387 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000571316572 323141201 /nfs/dbraw/zinc/14/12/01/323141201.db2.gz VCLOSHUJXPRVBG-CMPLNLGQSA-N 1 2 218.300 1.965 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000571316572 323141202 /nfs/dbraw/zinc/14/12/02/323141202.db2.gz VCLOSHUJXPRVBG-CMPLNLGQSA-N 1 2 218.300 1.965 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1cnn(C)c1C ZINC000571469237 323145706 /nfs/dbraw/zinc/14/57/06/323145706.db2.gz VYZQBXMIABBCEI-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1cnn(C)c1C ZINC000571469237 323145707 /nfs/dbraw/zinc/14/57/07/323145707.db2.gz VYZQBXMIABBCEI-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO CCCN(C(=O)NCc1c[nH+]cn1C)C(C)C ZINC000572853370 323146919 /nfs/dbraw/zinc/14/69/19/323146919.db2.gz AAINFHYVXPRVDX-UHFFFAOYSA-N 1 2 238.335 1.750 20 0 BDADLO COCCC(C)(C)CNc1nc(C)[nH+]cc1C ZINC000571581635 323148533 /nfs/dbraw/zinc/14/85/33/323148533.db2.gz OVWDQRAJPBVUSU-UHFFFAOYSA-N 1 2 237.347 1.990 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cnns1 ZINC000048990476 323156394 /nfs/dbraw/zinc/15/63/94/323156394.db2.gz OXPMZAWPVPSADU-UHFFFAOYSA-N 1 2 249.299 1.251 20 0 BDADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CCC1 ZINC000111297758 323158433 /nfs/dbraw/zinc/15/84/33/323158433.db2.gz ZENZBPZHMVWJTD-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CCC1 ZINC000111297758 323158434 /nfs/dbraw/zinc/15/84/34/323158434.db2.gz ZENZBPZHMVWJTD-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO Nc1nc(NCC2CCC2)[nH+]c2ccccc12 ZINC000535008543 323163093 /nfs/dbraw/zinc/16/30/93/323163093.db2.gz FXZYZMFQFHFEJG-UHFFFAOYSA-N 1 2 228.299 1.676 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCO2)c(C)c[nH+]1 ZINC000535036335 323164371 /nfs/dbraw/zinc/16/43/71/323164371.db2.gz YHSHKTOQZATZIR-LLVKDONJSA-N 1 2 220.272 1.238 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H]2CO)c(C)c[nH+]1 ZINC000535059927 323164940 /nfs/dbraw/zinc/16/49/40/323164940.db2.gz SUODMVVZEAHQRQ-LLVKDONJSA-N 1 2 249.314 1.109 20 0 BDADLO COc1ccc[nH+]c1NCCNC(=O)C1CC1 ZINC000160821051 323174192 /nfs/dbraw/zinc/17/41/92/323174192.db2.gz NYILPURNRHTZPA-UHFFFAOYSA-N 1 2 235.287 1.028 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000563728073 323176102 /nfs/dbraw/zinc/17/61/02/323176102.db2.gz BCLRQJUKVIQORE-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO CO[C@H]1CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000535719250 323189154 /nfs/dbraw/zinc/18/91/54/323189154.db2.gz CGMMCYSDPXLBLR-VIFPVBQESA-N 1 2 244.298 1.267 20 0 BDADLO Cc1cc(NC(=O)c2cnccn2)c(C)c[nH+]1 ZINC000535749131 323190461 /nfs/dbraw/zinc/19/04/61/323190461.db2.gz LAMIMJXCQOHMMR-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO C[C@H](C[NH2+][C@H](C)c1nccs1)S(C)(=O)=O ZINC000309023800 323194312 /nfs/dbraw/zinc/19/43/12/323194312.db2.gz YUIFQQOYGJZODO-HTQZYQBOSA-N 1 2 248.373 1.227 20 0 BDADLO Cc1ncoc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575294 323198020 /nfs/dbraw/zinc/19/80/20/323198020.db2.gz UQBNEORKDNDPSK-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1cc(NC(=O)C2CCC2)c(C)c[nH+]1 ZINC000536574992 323198104 /nfs/dbraw/zinc/19/81/04/323198104.db2.gz NRHQMCWXLKOWHK-UHFFFAOYSA-N 1 2 204.273 1.859 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(CCO)CC1 ZINC000536631892 323199000 /nfs/dbraw/zinc/19/90/00/323199000.db2.gz GJMFXHOLTLJSQO-UHFFFAOYSA-N 1 2 223.320 1.313 20 0 BDADLO c1cn(C2CN(c3nc(C4CC4)ns3)C2)c[nH+]1 ZINC000536649309 323199650 /nfs/dbraw/zinc/19/96/50/323199650.db2.gz QLJHUJZDAHULDT-UHFFFAOYSA-N 1 2 247.327 1.673 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245372 323245068 /nfs/dbraw/zinc/24/50/68/323245068.db2.gz QYFSZBVTJYCGGO-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nccc(NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000563961222 323332722 /nfs/dbraw/zinc/33/27/22/323332722.db2.gz XRQUZUYBAVISHD-VIFPVBQESA-N 1 2 245.286 1.571 20 0 BDADLO CC(C)(C)OC(=O)C1([NH2+]CCO)CCCC1 ZINC000309417506 323395203 /nfs/dbraw/zinc/39/52/03/323395203.db2.gz YYNWNXCWYHUECT-UHFFFAOYSA-N 1 2 229.320 1.223 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000564100518 323428942 /nfs/dbraw/zinc/42/89/42/323428942.db2.gz UQVWTYXTTZQVPX-QWRGUYRKSA-N 1 2 248.330 1.549 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000571939157 323510504 /nfs/dbraw/zinc/51/05/04/323510504.db2.gz LGOCVXIDMABYPW-OPRDCNLKSA-N 1 2 239.319 1.506 20 0 BDADLO CCc1ncsc1NC(=O)Cn1cc[nH+]c1 ZINC000572214530 323566069 /nfs/dbraw/zinc/56/60/69/323566069.db2.gz UOODFOWGKBLMKL-UHFFFAOYSA-N 1 2 236.300 1.541 20 0 BDADLO [NH3+][C@@H](C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1cscn1 ZINC000572234949 323576277 /nfs/dbraw/zinc/57/62/77/323576277.db2.gz KTAZKHOTBBOHJV-IBCQBUCCSA-N 1 2 237.328 1.058 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@@H]1C1CC1)c1[nH+]ccn1C ZINC000667248968 487960498 /nfs/dbraw/zinc/96/04/98/487960498.db2.gz JXGUZDDARYYJIT-MWLCHTKSSA-N 1 2 248.330 1.675 20 0 BDADLO c1ccc2[nH+]c(NCC3COC3)ccc2c1 ZINC000528226168 323785869 /nfs/dbraw/zinc/78/58/69/323785869.db2.gz MJWOCWRXXQQYDY-UHFFFAOYSA-N 1 2 214.268 1.715 20 0 BDADLO C[N@H+](Cc1nnn(C(C)(C)C)n1)CC(C)(C)C ZINC000653537886 487960707 /nfs/dbraw/zinc/96/07/07/487960707.db2.gz KCBZBYBYCMBPMU-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO C[N@@H+](Cc1nnn(C(C)(C)C)n1)CC(C)(C)C ZINC000653537886 487960711 /nfs/dbraw/zinc/96/07/11/487960711.db2.gz KCBZBYBYCMBPMU-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146080 487960727 /nfs/dbraw/zinc/96/07/27/487960727.db2.gz BDRQPQMONFIPIA-MCWZUMHDSA-N 1 2 245.326 1.837 20 0 BDADLO C[C@H](NC(=O)N1CC[C@H]1C1CC1)c1[nH+]ccn1C ZINC000667248969 487960833 /nfs/dbraw/zinc/96/08/33/487960833.db2.gz JXGUZDDARYYJIT-ONGXEEELSA-N 1 2 248.330 1.675 20 0 BDADLO C[C@@H](NC(=O)NC1(C2CC2)CC1)c1[nH+]ccn1C ZINC000667252257 487962094 /nfs/dbraw/zinc/96/20/94/487962094.db2.gz DNJDUQVWNLJFFZ-SECBINFHSA-N 1 2 248.330 1.723 20 0 BDADLO CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060526262 324039400 /nfs/dbraw/zinc/03/94/00/324039400.db2.gz VCBLWUWBJJBAHA-QPJJXVBHSA-N 1 2 227.267 1.632 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)[C@@H](C)[C@H](C)O1 ZINC000572485671 324127051 /nfs/dbraw/zinc/12/70/51/324127051.db2.gz BHGCATCONAWYRT-VWYCJHECSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)[C@@H](C)[C@H](C)O1 ZINC000572485671 324127053 /nfs/dbraw/zinc/12/70/53/324127053.db2.gz BHGCATCONAWYRT-VWYCJHECSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000529400238 324287479 /nfs/dbraw/zinc/28/74/79/324287479.db2.gz BITDMNJBGREFFP-HJIKLVIJSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000529400238 324287475 /nfs/dbraw/zinc/28/74/75/324287475.db2.gz BITDMNJBGREFFP-HJIKLVIJSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2cccnn2)c2[nH+]ccn21 ZINC000529457008 324305140 /nfs/dbraw/zinc/30/51/40/324305140.db2.gz IGUSCBBQJXOTIW-PSASIEDQSA-N 1 2 243.270 1.109 20 0 BDADLO Cc1cocc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000529478297 324310538 /nfs/dbraw/zinc/31/05/38/324310538.db2.gz MDRFLMXPJFJLKX-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(F)cn2)[nH]1 ZINC000529544506 324334521 /nfs/dbraw/zinc/33/45/21/324334521.db2.gz PAGILTOXZZYJOH-MRVPVSSYSA-N 1 2 249.293 1.752 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(F)cn1 ZINC000529554418 324341079 /nfs/dbraw/zinc/34/10/79/324341079.db2.gz AXMYCBXHVIPJII-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO Cn1ncc(C[NH+]2CC(Cc3ccco3)C2)n1 ZINC000529648790 324371255 /nfs/dbraw/zinc/37/12/55/324371255.db2.gz KFSIZWKIGVHNIP-UHFFFAOYSA-N 1 2 232.287 1.083 20 0 BDADLO COCCCOC1CN(c2cc[nH+]c(C)n2)C1 ZINC000128748508 324880239 /nfs/dbraw/zinc/88/02/39/324880239.db2.gz XOYOEOGVQBXVSC-UHFFFAOYSA-N 1 2 237.303 1.027 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1coc(C)n1)CC2 ZINC000669960091 487966492 /nfs/dbraw/zinc/96/64/92/487966492.db2.gz NKMNHEUEDPXRKZ-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC[C@H]1CCOC1 ZINC000542404606 325024705 /nfs/dbraw/zinc/02/47/05/325024705.db2.gz DKCJKWAJFITJHO-NSHDSACASA-N 1 2 249.314 1.360 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C[C@H]1C=CCC1 ZINC000542481640 325030706 /nfs/dbraw/zinc/03/07/06/325030706.db2.gz VZRJUUSQPFIMCB-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO O=C(CCc1cccnc1)NCc1[nH]cc[nH+]1 ZINC000070990851 325048975 /nfs/dbraw/zinc/04/89/75/325048975.db2.gz NRCVDTZSLGGGGC-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C1C[N@H+](CCCCC(F)(F)F)CCN1 ZINC000130638001 325075646 /nfs/dbraw/zinc/07/56/46/325075646.db2.gz PVGSSGUVIOEZAN-UHFFFAOYSA-N 1 2 224.226 1.151 20 0 BDADLO O=C1C[N@@H+](CCCCC(F)(F)F)CCN1 ZINC000130638001 325075647 /nfs/dbraw/zinc/07/56/47/325075647.db2.gz PVGSSGUVIOEZAN-UHFFFAOYSA-N 1 2 224.226 1.151 20 0 BDADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCOC1 ZINC000543754635 325110377 /nfs/dbraw/zinc/11/03/77/325110377.db2.gz GQTWRJOZQPQUQQ-CYBMUJFWSA-N 1 2 249.314 1.083 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CC[C@@H](C)O1 ZINC000232029902 325114001 /nfs/dbraw/zinc/11/40/01/325114001.db2.gz AXEJFJLHZAGWET-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CC[C@@H](C)O1 ZINC000232029902 325114004 /nfs/dbraw/zinc/11/40/04/325114004.db2.gz AXEJFJLHZAGWET-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCc1cccc(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000131166649 325123162 /nfs/dbraw/zinc/12/31/62/325123162.db2.gz HFTCIKAACKIRSZ-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccoc1 ZINC000132743910 325243030 /nfs/dbraw/zinc/24/30/30/325243030.db2.gz AVTAAZOYPNFOHM-UHFFFAOYSA-N 1 2 245.282 1.922 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC000545934058 325248373 /nfs/dbraw/zinc/24/83/73/325248373.db2.gz KTGKDXSELQPKAB-JDNHERCYSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC000545934058 325248374 /nfs/dbraw/zinc/24/83/74/325248374.db2.gz KTGKDXSELQPKAB-JDNHERCYSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1cc(C(=O)Nc2c[nH+]ccc2OC)n[nH]1 ZINC000132857158 325249226 /nfs/dbraw/zinc/24/92/26/325249226.db2.gz MQESJODXAIIHBO-UHFFFAOYSA-N 1 2 246.270 1.628 20 0 BDADLO Cc1noc(C[NH2+]C(C)(C)c2cnn(C)c2)n1 ZINC000546704597 325303269 /nfs/dbraw/zinc/30/32/69/325303269.db2.gz DGHMARGNFQSITF-UHFFFAOYSA-N 1 2 235.291 1.136 20 0 BDADLO Cn1c[nH+]cc1CNc1ccn(CC(F)F)n1 ZINC000133861920 325324743 /nfs/dbraw/zinc/32/47/43/325324743.db2.gz QGQOQGNXRDXCLG-UHFFFAOYSA-N 1 2 241.245 1.494 20 0 BDADLO CCC[C@@H]([NH2+]CCOC(C)C)C(=O)OCC ZINC000134131190 325345093 /nfs/dbraw/zinc/34/50/93/325345093.db2.gz TWZRVEGNDNKRIS-LLVKDONJSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1ccncc1N(C)C(=O)CCn1cc[nH+]c1 ZINC000547363680 325347932 /nfs/dbraw/zinc/34/79/32/325347932.db2.gz KSYAWCFVJHGHMZ-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C12CCC(CC1)C2 ZINC000547482403 325361395 /nfs/dbraw/zinc/36/13/95/325361395.db2.gz CHBZNUBFXJVAHK-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO Cc1ccc(O)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000134495701 325361538 /nfs/dbraw/zinc/36/15/38/325361538.db2.gz QUYFYVOZTCQPBR-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO Cc1ccccc1NC(=O)Cc1c[nH+]cn1C ZINC000547540009 325371643 /nfs/dbraw/zinc/37/16/43/325371643.db2.gz LTGVEFTVHUFWRQ-UHFFFAOYSA-N 1 2 229.283 1.910 20 0 BDADLO COc1c(N)[nH+]cnc1NC1CCCC1 ZINC000134811970 325377719 /nfs/dbraw/zinc/37/77/19/325377719.db2.gz RKCVQVKDVOVKRL-UHFFFAOYSA-N 1 2 208.265 1.422 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)oc1C ZINC000134970841 325385213 /nfs/dbraw/zinc/38/52/13/325385213.db2.gz BNXQWKYMAPIHPK-UHFFFAOYSA-N 1 2 233.271 1.523 20 0 BDADLO O=C(/C=C/c1ccccc1)NCCc1[nH]cc[nH+]1 ZINC000135074095 325392193 /nfs/dbraw/zinc/39/21/93/325392193.db2.gz BQYGISAZFXUCPK-VOTSOKGWSA-N 1 2 241.294 1.782 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000547769365 325395030 /nfs/dbraw/zinc/39/50/30/325395030.db2.gz KEAJRGDSPMRYRH-IUCAKERBSA-N 1 2 232.287 1.005 20 0 BDADLO O=C(CCn1cccn1)Nc1cc[nH+]cc1O ZINC000135400512 325411137 /nfs/dbraw/zinc/41/11/37/325411137.db2.gz XHDXCYMEDKLODR-UHFFFAOYSA-N 1 2 232.243 1.013 20 0 BDADLO CC(C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547930998 325412909 /nfs/dbraw/zinc/41/29/09/325412909.db2.gz FJWSXQUOGVPOLD-LBPRGKRZSA-N 1 2 249.358 1.857 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1CCCO1 ZINC000136027225 325438156 /nfs/dbraw/zinc/43/81/56/325438156.db2.gz OLDYAMAHQMGYCS-QRGHLMKCSA-N 1 2 249.314 1.211 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCc1cccs1 ZINC000548191877 325440075 /nfs/dbraw/zinc/44/00/75/325440075.db2.gz FBJUWIRUJVGZDS-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1csnn1 ZINC000668585788 487967773 /nfs/dbraw/zinc/96/77/73/487967773.db2.gz UOBGWHKHJCNGEP-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2c[nH+]cn2C)o1 ZINC000548519857 325466035 /nfs/dbraw/zinc/46/60/35/325466035.db2.gz BWZPSUWUJSQHSV-UHFFFAOYSA-N 1 2 247.298 1.523 20 0 BDADLO CCCN(CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC000552501963 325645380 /nfs/dbraw/zinc/64/53/80/325645380.db2.gz MCKZYNAEOKAPPI-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000252926150 325700424 /nfs/dbraw/zinc/70/04/24/325700424.db2.gz NPVQWNBWKIAUJC-GHMZBOCLSA-N 1 2 221.304 1.525 20 0 BDADLO C[C@@H](CC(=O)N1CCC[C@@H]1CF)n1cc[nH+]c1 ZINC000565660075 325937732 /nfs/dbraw/zinc/93/77/32/325937732.db2.gz ITDYLTXYIQYSIF-WDEREUQCSA-N 1 2 239.294 1.795 20 0 BDADLO CSC[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418313 326039189 /nfs/dbraw/zinc/03/91/89/326039189.db2.gz DQIZVCOMXFJPMI-IONNQARKSA-N 1 2 245.348 1.095 20 0 BDADLO CSC[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566418313 326039191 /nfs/dbraw/zinc/03/91/91/326039191.db2.gz DQIZVCOMXFJPMI-IONNQARKSA-N 1 2 245.348 1.095 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1nc(C)[nH+]cc1C ZINC000566478382 326055028 /nfs/dbraw/zinc/05/50/28/326055028.db2.gz JFJIKVXFNFDSFC-KWQFWETISA-N 1 2 223.320 1.334 20 0 BDADLO CCn1ccc(CNc2nc(C)[nH+]cc2C)n1 ZINC000566866819 326089812 /nfs/dbraw/zinc/08/98/12/326089812.db2.gz RLWQJRMASGNLCU-UHFFFAOYSA-N 1 2 231.303 1.344 20 0 BDADLO COC(=O)C1(C)CN(c2nc(C)[nH+]cc2C)C1 ZINC000566865392 326089945 /nfs/dbraw/zinc/08/99/45/326089945.db2.gz ATHVBAXSDJWTCW-UHFFFAOYSA-N 1 2 235.287 1.093 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)CC[S@@](C)=O ZINC000566985652 326100081 /nfs/dbraw/zinc/10/00/81/326100081.db2.gz SAZOHGVJICVLSB-JDNHERCYSA-N 1 2 241.360 1.084 20 0 BDADLO C[N@H+](CCOC[C@@H]1CCCO1)Cc1cc[nH]n1 ZINC000567154480 326125274 /nfs/dbraw/zinc/12/52/74/326125274.db2.gz UKBZVZPKZIYLOI-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO OC1(CNc2cc(NC3CC3)nc[nH+]2)CCC1 ZINC000567219919 326143554 /nfs/dbraw/zinc/14/35/54/326143554.db2.gz UYRFKMNQRDNKBM-UHFFFAOYSA-N 1 2 234.303 1.378 20 0 BDADLO OC1(CNc2cc(NC3CC3)[nH+]cn2)CCC1 ZINC000567219919 326143556 /nfs/dbraw/zinc/14/35/56/326143556.db2.gz UYRFKMNQRDNKBM-UHFFFAOYSA-N 1 2 234.303 1.378 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCC(C)(C)O)ccn12 ZINC000567288597 326156488 /nfs/dbraw/zinc/15/64/88/326156488.db2.gz UCGPSVVJBBTBAN-UHFFFAOYSA-N 1 2 247.298 1.143 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc[nH+]c(C)n2)o1 ZINC000309759757 326166764 /nfs/dbraw/zinc/16/67/64/326166764.db2.gz IJZRVRRRVKMTEL-LURJTMIESA-N 1 2 219.248 1.650 20 0 BDADLO O=C1C[N@H+](Cc2cccnc2)[C@H]2CCCC[C@@H]2N1 ZINC000156846752 326244324 /nfs/dbraw/zinc/24/43/24/326244324.db2.gz HVEVPGFPYWKUJJ-STQMWFEESA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2cccnc2)[C@H]2CCCC[C@@H]2N1 ZINC000156846752 326244325 /nfs/dbraw/zinc/24/43/25/326244325.db2.gz HVEVPGFPYWKUJJ-STQMWFEESA-N 1 2 245.326 1.325 20 0 BDADLO Cc1nnc(C[NH+]2CCSCC2)n1C1CC1 ZINC000157587078 326284902 /nfs/dbraw/zinc/28/49/02/326284902.db2.gz FPCNYIGXDMMBQU-UHFFFAOYSA-N 1 2 238.360 1.470 20 0 BDADLO Cc1cscc1CNC(=O)Cc1c[nH+]cn1C ZINC000567945644 326286989 /nfs/dbraw/zinc/28/69/89/326286989.db2.gz GGCWOQOMXRWANA-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000567956297 326287995 /nfs/dbraw/zinc/28/79/95/326287995.db2.gz LJVJAIWPVPTESV-PSASIEDQSA-N 1 2 248.330 1.250 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1ncc[nH]1)n1cc[nH+]c1 ZINC000568021603 326297119 /nfs/dbraw/zinc/29/71/19/326297119.db2.gz YZXGUAJDYNLFEM-JTQLQIEISA-N 1 2 247.302 1.216 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1ncc[nH]1)n1cc[nH+]c1 ZINC000568021604 326297158 /nfs/dbraw/zinc/29/71/58/326297158.db2.gz YZXGUAJDYNLFEM-SNVBAGLBSA-N 1 2 247.302 1.216 20 0 BDADLO CC(F)(F)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568069636 326303293 /nfs/dbraw/zinc/30/32/93/326303293.db2.gz KEGYIFYWQAAAGM-UHFFFAOYSA-N 1 2 231.246 1.806 20 0 BDADLO CCc1nc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)co1 ZINC000568069379 326303482 /nfs/dbraw/zinc/30/34/82/326303482.db2.gz FLKQQDZBMJOKAC-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO CC(C)(NC(=O)CSC1CC1)c1[nH]cc[nH+]1 ZINC000568070055 326303823 /nfs/dbraw/zinc/30/38/23/326303823.db2.gz YDPRPJKYBRQQNM-UHFFFAOYSA-N 1 2 239.344 1.657 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CC2 ZINC000568227978 326329717 /nfs/dbraw/zinc/32/97/17/326329717.db2.gz KIDRAUXRUJPDFJ-WPRPVWTQSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CC2 ZINC000568227978 326329719 /nfs/dbraw/zinc/32/97/19/326329719.db2.gz KIDRAUXRUJPDFJ-WPRPVWTQSA-N 1 2 219.288 1.257 20 0 BDADLO Cn1cc[nH+]c1Cn1cnc(-c2ccccc2)n1 ZINC000158620144 326333223 /nfs/dbraw/zinc/33/32/23/326333223.db2.gz OWDWGDHTHPAVLC-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO Cc1c([C@@H](C)Nc2nc(C)[nH+]cc2C)cnn1C ZINC000568294734 326342659 /nfs/dbraw/zinc/34/26/59/326342659.db2.gz AGXXEYCQBJBHMU-SECBINFHSA-N 1 2 245.330 1.730 20 0 BDADLO CC(C)(NC(=O)Cc1cccnc1)c1[nH]cc[nH+]1 ZINC000568404297 326354891 /nfs/dbraw/zinc/35/48/91/326354891.db2.gz MMFBMGKFTSNBIJ-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO Cc1cc(NC(=O)[C@H]2[C@H](C)C2(F)F)c(C)c[nH+]1 ZINC000568497267 326359644 /nfs/dbraw/zinc/35/96/44/326359644.db2.gz NKLQFHZOWNBPPN-WCBMZHEXSA-N 1 2 240.253 1.960 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507097 326360581 /nfs/dbraw/zinc/36/05/81/326360581.db2.gz JHAGVSZKPXLQFJ-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000568507097 326360582 /nfs/dbraw/zinc/36/05/82/326360582.db2.gz JHAGVSZKPXLQFJ-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO O=C1NCC[C@]12CCC[N@H+]2Cc1ccncc1F ZINC000568659670 326371597 /nfs/dbraw/zinc/37/15/97/326371597.db2.gz HAMZIZGIZDLFHR-CYBMUJFWSA-N 1 2 249.289 1.075 20 0 BDADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1ccncc1F ZINC000568659670 326371599 /nfs/dbraw/zinc/37/15/99/326371599.db2.gz HAMZIZGIZDLFHR-CYBMUJFWSA-N 1 2 249.289 1.075 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCCCCn1cc[nH+]c1 ZINC000568686300 326372637 /nfs/dbraw/zinc/37/26/37/326372637.db2.gz QVWPWBPYVUPALP-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(=O)OC ZINC000568716426 326373407 /nfs/dbraw/zinc/37/34/07/326373407.db2.gz ZDDMLMMGZBOIQN-AXFHLTTASA-N 1 2 243.347 1.589 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2=CCOCC2)[nH+]1 ZINC000568832996 326378622 /nfs/dbraw/zinc/37/86/22/326378622.db2.gz MVQQUMLAIWSUKX-UHFFFAOYSA-N 1 2 244.298 1.447 20 0 BDADLO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000568857965 326379763 /nfs/dbraw/zinc/37/97/63/326379763.db2.gz XHDYCPNIGHBZGI-FZMZJTMJSA-N 1 2 245.326 1.664 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1ccncc1 ZINC000568901393 326382322 /nfs/dbraw/zinc/38/23/22/326382322.db2.gz VVTYNVZWOSHKFP-UHFFFAOYSA-N 1 2 244.298 1.157 20 0 BDADLO CCOC(=O)c1cc(CNc2c[nH]c[nH+]2)[nH]c1C ZINC000568955719 326383540 /nfs/dbraw/zinc/38/35/40/326383540.db2.gz VBIILCOXLRMIKG-UHFFFAOYSA-N 1 2 248.286 1.835 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000569298758 326398915 /nfs/dbraw/zinc/39/89/15/326398915.db2.gz SWOLEKMZVVPCEU-ZSBIGDGJSA-N 1 2 246.314 1.207 20 0 BDADLO CC[C@]1(O)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000572975218 326422119 /nfs/dbraw/zinc/42/21/19/326422119.db2.gz OYKJADYBKUVOIU-LBPRGKRZSA-N 1 2 221.304 1.445 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C(F)F ZINC000655041008 487975462 /nfs/dbraw/zinc/97/54/62/487975462.db2.gz QYUGUUNEIZCMEZ-SSDOTTSWSA-N 1 2 245.273 1.748 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C(F)F ZINC000655041008 487975468 /nfs/dbraw/zinc/97/54/68/487975468.db2.gz QYUGUUNEIZCMEZ-SSDOTTSWSA-N 1 2 245.273 1.748 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C(F)F ZINC000655041009 487975676 /nfs/dbraw/zinc/97/56/76/487975676.db2.gz QYUGUUNEIZCMEZ-ZETCQYMHSA-N 1 2 245.273 1.748 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C(F)F ZINC000655041009 487975681 /nfs/dbraw/zinc/97/56/81/487975681.db2.gz QYUGUUNEIZCMEZ-ZETCQYMHSA-N 1 2 245.273 1.748 20 0 BDADLO COC(C)(C)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544728 487983066 /nfs/dbraw/zinc/98/30/66/487983066.db2.gz UHZAEAXBIKIOJP-SECBINFHSA-N 1 2 237.290 1.503 20 0 BDADLO COC(C)(C)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682544728 487983072 /nfs/dbraw/zinc/98/30/72/487983072.db2.gz UHZAEAXBIKIOJP-SECBINFHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000665690233 487988039 /nfs/dbraw/zinc/98/80/39/487988039.db2.gz MWFISUQQNFRAPR-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO CCC[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000665690233 487988047 /nfs/dbraw/zinc/98/80/47/487988047.db2.gz MWFISUQQNFRAPR-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220514551 487988460 /nfs/dbraw/zinc/98/84/60/487988460.db2.gz DUTKRZMOXBJFLD-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220514551 487988462 /nfs/dbraw/zinc/98/84/62/487988462.db2.gz DUTKRZMOXBJFLD-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO CCc1cc(N[C@H]2CCNC(=O)CC2)nc[nH+]1 ZINC000396634150 487992269 /nfs/dbraw/zinc/99/22/69/487992269.db2.gz DUHFETXRRUYPOY-SNVBAGLBSA-N 1 2 234.303 1.120 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)nc1 ZINC000400872285 487993307 /nfs/dbraw/zinc/99/33/07/487993307.db2.gz IKEZWOCOVFWZME-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)nc1 ZINC000400872285 487993310 /nfs/dbraw/zinc/99/33/10/487993310.db2.gz IKEZWOCOVFWZME-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H](C)c1ccccn1 ZINC000134825204 488000247 /nfs/dbraw/zinc/00/02/47/488000247.db2.gz GVAXBOFZEBTNIQ-QMMMGPOBSA-N 1 2 245.286 1.636 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H](C)c1ccccn1 ZINC000134825204 488000254 /nfs/dbraw/zinc/00/02/54/488000254.db2.gz GVAXBOFZEBTNIQ-QMMMGPOBSA-N 1 2 245.286 1.636 20 0 BDADLO COCc1csc(C[NH+]2CCOCC2)c1 ZINC000667461990 488013527 /nfs/dbraw/zinc/01/35/27/488013527.db2.gz VADLBKIRCLBQSH-UHFFFAOYSA-N 1 2 227.329 1.727 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[NH2+]CC(F)F ZINC001172742603 974919253 /nfs/dbraw/zinc/91/92/53/974919253.db2.gz NOZCQWZBGQPDPY-QMMMGPOBSA-N 1 2 223.263 1.961 20 0 BDADLO CC1(C)CN(c2cc(CO)cc[nH+]2)CCS1 ZINC000135216504 488022016 /nfs/dbraw/zinc/02/20/16/488022016.db2.gz ODSVDTNSFLUGRI-UHFFFAOYSA-N 1 2 238.356 1.906 20 0 BDADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](O)C1 ZINC000667495704 488028110 /nfs/dbraw/zinc/02/81/10/488028110.db2.gz VNOMDEJSUIXJMG-SSDOTTSWSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@@H](O)C1 ZINC000667495704 488028112 /nfs/dbraw/zinc/02/81/12/488028112.db2.gz VNOMDEJSUIXJMG-SSDOTTSWSA-N 1 2 249.236 1.006 20 0 BDADLO CCc1cc(NCc2cc(C)ncn2)nc[nH+]1 ZINC000677418733 488032866 /nfs/dbraw/zinc/03/28/66/488032866.db2.gz RDSNCWZDYSEHDL-UHFFFAOYSA-N 1 2 229.287 1.750 20 0 BDADLO C[C@H](O)CC[N@H+](C)CC(=O)c1ccccc1F ZINC000135577851 488042887 /nfs/dbraw/zinc/04/28/87/488042887.db2.gz XDFDPMSAAZHYMG-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO C[C@H](O)CC[N@@H+](C)CC(=O)c1ccccc1F ZINC000135577851 488042891 /nfs/dbraw/zinc/04/28/91/488042891.db2.gz XDFDPMSAAZHYMG-JTQLQIEISA-N 1 2 239.290 1.711 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CC=CC1 ZINC000682830803 488050924 /nfs/dbraw/zinc/05/09/24/488050924.db2.gz HOFXVDOTMPTJLP-UHFFFAOYSA-N 1 2 219.288 1.188 20 0 BDADLO CC[C@@H](C)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670079349 488062115 /nfs/dbraw/zinc/06/21/15/488062115.db2.gz LVLBQKOKMLLVIJ-SECBINFHSA-N 1 2 236.319 1.490 20 0 BDADLO COc1cccc(C[NH2+]Cc2cc(C)ncn2)n1 ZINC000682943621 488068855 /nfs/dbraw/zinc/06/88/55/488068855.db2.gz XLOZDWZJAKGXOG-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO CCC[C@H]1CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000667651522 488074293 /nfs/dbraw/zinc/07/42/93/488074293.db2.gz ZNXWZAZSABWSOI-ZDUSSCGKSA-N 1 2 249.358 1.830 20 0 BDADLO CCC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000667651521 488074644 /nfs/dbraw/zinc/07/46/44/488074644.db2.gz ZNXWZAZSABWSOI-CYBMUJFWSA-N 1 2 249.358 1.830 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000667667951 488080850 /nfs/dbraw/zinc/08/08/50/488080850.db2.gz ZOWCNXWYZXQXDZ-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000667667951 488080862 /nfs/dbraw/zinc/08/08/62/488080862.db2.gz ZOWCNXWYZXQXDZ-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1ccnc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000683001266 488082833 /nfs/dbraw/zinc/08/28/33/488082833.db2.gz NKCBMDAXDNCAOF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccnc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000683001266 488082840 /nfs/dbraw/zinc/08/28/40/488082840.db2.gz NKCBMDAXDNCAOF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccnc(C[N@H+](C)CC(=O)NC2CC2)c1 ZINC000683002534 488084330 /nfs/dbraw/zinc/08/43/30/488084330.db2.gz DUYYVKHEZXEUKY-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CC(=O)NC2CC2)c1 ZINC000683002534 488084335 /nfs/dbraw/zinc/08/43/35/488084335.db2.gz DUYYVKHEZXEUKY-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccnc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000683009602 488088947 /nfs/dbraw/zinc/08/89/47/488088947.db2.gz PODSAGCFAQRVDT-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccnc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000683009602 488088952 /nfs/dbraw/zinc/08/89/52/488088952.db2.gz PODSAGCFAQRVDT-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CCOC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000677679810 488090866 /nfs/dbraw/zinc/09/08/66/488090866.db2.gz YOIRPCQWBAQSCA-UHFFFAOYSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cnc(C[N@H+](CCCO)C2CC2)nc1 ZINC000677688628 488092323 /nfs/dbraw/zinc/09/23/23/488092323.db2.gz WJMWDWBZKGCFAY-UHFFFAOYSA-N 1 2 221.304 1.132 20 0 BDADLO Cc1cnc(C[N@@H+](CCCO)C2CC2)nc1 ZINC000677688628 488092330 /nfs/dbraw/zinc/09/23/30/488092330.db2.gz WJMWDWBZKGCFAY-UHFFFAOYSA-N 1 2 221.304 1.132 20 0 BDADLO COCC1([N@H+](C)Cc2nc(C(C)C)no2)CC1 ZINC000677727156 488103769 /nfs/dbraw/zinc/10/37/69/488103769.db2.gz WCAWCBBPJJBWAT-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC1([N@@H+](C)Cc2nc(C(C)C)no2)CC1 ZINC000677727156 488103774 /nfs/dbraw/zinc/10/37/74/488103774.db2.gz WCAWCBBPJJBWAT-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC1([N@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000677728096 488105424 /nfs/dbraw/zinc/10/54/24/488105424.db2.gz PDTSLXSGNIVBFO-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO COCC1([N@@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000677728096 488105429 /nfs/dbraw/zinc/10/54/29/488105429.db2.gz PDTSLXSGNIVBFO-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000451814195 488114737 /nfs/dbraw/zinc/11/47/37/488114737.db2.gz KHXOOLNRRXTSOW-ZYHUDNBSSA-N 1 2 235.331 1.719 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@H]1C(F)F ZINC000677737108 488116190 /nfs/dbraw/zinc/11/61/90/488116190.db2.gz RWFYOGMWAYWJCO-QMMMGPOBSA-N 1 2 215.247 1.650 20 0 BDADLO O=C1CCCN1C[C@@H]1CC[N@@H+](CC(F)F)C1 ZINC000662054329 488123319 /nfs/dbraw/zinc/12/33/19/488123319.db2.gz MPYDBEUVPIHXSY-SECBINFHSA-N 1 2 232.274 1.196 20 0 BDADLO O=C1CCCN1C[C@@H]1CC[N@H+](CC(F)F)C1 ZINC000662054329 488123322 /nfs/dbraw/zinc/12/33/22/488123322.db2.gz MPYDBEUVPIHXSY-SECBINFHSA-N 1 2 232.274 1.196 20 0 BDADLO Cc1cnc(C)c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000683190883 488126282 /nfs/dbraw/zinc/12/62/82/488126282.db2.gz QRXUSDOYTMHSMH-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO CCc1noc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)n1 ZINC000683223250 488132894 /nfs/dbraw/zinc/13/28/94/488132894.db2.gz RKAWXVGYYLHXKK-IUCAKERBSA-N 1 2 239.319 1.366 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1nnc(CC)[nH]1 ZINC000392408221 487538797 /nfs/dbraw/zinc/53/87/97/487538797.db2.gz KRFJOWRCMZWRIO-UHFFFAOYSA-N 1 2 248.334 1.263 20 0 BDADLO COc1c(N)[nH+]cnc1NCC[C@H]1CCCO1 ZINC000134865099 487540243 /nfs/dbraw/zinc/54/02/43/487540243.db2.gz VYLSIRWKPUCRDI-MRVPVSSYSA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1NCC[C@H]1CCCO1 ZINC000134865099 487540247 /nfs/dbraw/zinc/54/02/47/487540247.db2.gz VYLSIRWKPUCRDI-MRVPVSSYSA-N 1 2 238.291 1.048 20 0 BDADLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000674266679 487543604 /nfs/dbraw/zinc/54/36/04/487543604.db2.gz WXVBHQRQVFJWQP-VIFPVBQESA-N 1 2 234.299 1.778 20 0 BDADLO Oc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000668792069 487545864 /nfs/dbraw/zinc/54/58/64/487545864.db2.gz JUVHESXWJWZEGW-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO Oc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000668792069 487545870 /nfs/dbraw/zinc/54/58/70/487545870.db2.gz JUVHESXWJWZEGW-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nc2ccccn2n1 ZINC000094601758 487547744 /nfs/dbraw/zinc/54/77/44/487547744.db2.gz IZBGZELVOPWTKI-SNVBAGLBSA-N 1 2 242.286 1.426 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)o1 ZINC000685570609 487552866 /nfs/dbraw/zinc/55/28/66/487552866.db2.gz HWOYDABSFPITFP-GHMZBOCLSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)o1 ZINC000685570609 487552868 /nfs/dbraw/zinc/55/28/68/487552868.db2.gz HWOYDABSFPITFP-GHMZBOCLSA-N 1 2 237.347 1.816 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cccn2C)c1 ZINC000680254469 487553607 /nfs/dbraw/zinc/55/36/07/487553607.db2.gz WQNDNGPDKHAKGC-UHFFFAOYSA-N 1 2 244.298 1.738 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cn(C)cn2)c1 ZINC000680258970 487554501 /nfs/dbraw/zinc/55/45/01/487554501.db2.gz RBRPDLNXEKVNDS-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO CO[C@H](C)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000666132555 487531027 /nfs/dbraw/zinc/53/10/27/487531027.db2.gz XXLPMWXSPDSVNE-SECBINFHSA-N 1 2 248.286 1.491 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000679852944 487472526 /nfs/dbraw/zinc/47/25/26/487472526.db2.gz UHFQTMUAXPJKKE-HRDYMLBCSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000679852944 487472534 /nfs/dbraw/zinc/47/25/34/487472534.db2.gz UHFQTMUAXPJKKE-HRDYMLBCSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000679852943 487473197 /nfs/dbraw/zinc/47/31/97/487473197.db2.gz UHFQTMUAXPJKKE-HLTSFMKQSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000679852943 487473198 /nfs/dbraw/zinc/47/31/98/487473198.db2.gz UHFQTMUAXPJKKE-HLTSFMKQSA-N 1 2 241.253 1.673 20 0 BDADLO CCc1nc(CNc2cc(CC)[nH+]c(C)n2)n[nH]1 ZINC000294897743 487474296 /nfs/dbraw/zinc/47/42/96/487474296.db2.gz HUARRQIJFDHDOU-UHFFFAOYSA-N 1 2 246.318 1.640 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000679875420 487479505 /nfs/dbraw/zinc/47/95/05/487479505.db2.gz OKPQYKJGYBQVGI-SECBINFHSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCOCC3(CC3)C2)n1 ZINC000679875420 487479508 /nfs/dbraw/zinc/47/95/08/487479508.db2.gz OKPQYKJGYBQVGI-SECBINFHSA-N 1 2 237.303 1.551 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CC12CCCC2 ZINC000673935908 487486268 /nfs/dbraw/zinc/48/62/68/487486268.db2.gz SBDGKSVFSIMDPG-SNVBAGLBSA-N 1 2 219.288 1.606 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CC12CCCC2 ZINC000673935908 487486271 /nfs/dbraw/zinc/48/62/71/487486271.db2.gz SBDGKSVFSIMDPG-SNVBAGLBSA-N 1 2 219.288 1.606 20 0 BDADLO Cc1ccoc1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668759050 487492253 /nfs/dbraw/zinc/49/22/53/487492253.db2.gz CLSAIIOWEKZFJU-UHFFFAOYSA-N 1 2 245.282 1.411 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)[C@H](C(N)=O)c1ccccc1 ZINC000677803078 487498922 /nfs/dbraw/zinc/49/89/22/487498922.db2.gz YFIRKFBUCQZYFC-LBPRGKRZSA-N 1 2 244.298 1.068 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cn(C)nn2)[nH+]1 ZINC000679931171 487495155 /nfs/dbraw/zinc/49/51/55/487495155.db2.gz IGKWUPJCFSAWEP-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009566 487497687 /nfs/dbraw/zinc/49/76/87/487497687.db2.gz JTHPEXALOSBNOZ-GFCCVEGCSA-N 1 2 236.290 1.661 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674009566 487497688 /nfs/dbraw/zinc/49/76/88/487497688.db2.gz JTHPEXALOSBNOZ-GFCCVEGCSA-N 1 2 236.290 1.661 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674014127 487501631 /nfs/dbraw/zinc/50/16/31/487501631.db2.gz YLSHZHNQCYLVMN-KWQFWETISA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674014127 487501636 /nfs/dbraw/zinc/50/16/36/487501636.db2.gz YLSHZHNQCYLVMN-KWQFWETISA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C[NH+]1CC(S(C)(=O)=O)C1)C(C)(C)C ZINC000669571278 487519538 /nfs/dbraw/zinc/51/95/38/487519538.db2.gz NZPRCPVILYBAFF-VIFPVBQESA-N 1 2 233.377 1.397 20 0 BDADLO C[C@H](C[NH+]1CC(S(C)(=O)=O)C1)C(C)(C)C ZINC000669571277 487519564 /nfs/dbraw/zinc/51/95/64/487519564.db2.gz NZPRCPVILYBAFF-SECBINFHSA-N 1 2 233.377 1.397 20 0 BDADLO C[N@H+](CCO[C@@H]1CCCCO1)Cc1ncc[nH]1 ZINC000685412279 487517697 /nfs/dbraw/zinc/51/76/97/487517697.db2.gz ZBKKPKIVVGXWLR-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@@H]1CCCCO1)Cc1ncc[nH]1 ZINC000685412279 487517701 /nfs/dbraw/zinc/51/77/01/487517701.db2.gz ZBKKPKIVVGXWLR-GFCCVEGCSA-N 1 2 239.319 1.385 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667870800 488143559 /nfs/dbraw/zinc/14/35/59/488143559.db2.gz DZOLQMQYGOCSPY-VXGBXAGGSA-N 1 2 221.304 1.375 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000680046509 487527436 /nfs/dbraw/zinc/52/74/36/487527436.db2.gz ZRHAPXFDKSFWNQ-QMMMGPOBSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](O)C2)s1 ZINC000680046509 487527437 /nfs/dbraw/zinc/52/74/37/487527437.db2.gz ZRHAPXFDKSFWNQ-QMMMGPOBSA-N 1 2 227.333 1.057 20 0 BDADLO c1cn(C2CN(c3cc4c(nn3)CCC4)C2)c[nH+]1 ZINC000675219889 487681088 /nfs/dbraw/zinc/68/10/88/487681088.db2.gz RKOVMQGHHYGHFM-UHFFFAOYSA-N 1 2 241.298 1.223 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cc(C)ncn2)nn1C ZINC000669701632 487698996 /nfs/dbraw/zinc/69/89/96/487698996.db2.gz SNABMSXPYZJRMV-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO O=C1C[N@H+](Cc2ccc3cnccc3c2)CCN1 ZINC000683822547 487702724 /nfs/dbraw/zinc/70/27/24/487702724.db2.gz JWKFSPLTOTXORA-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3cnccc3c2)CCN1 ZINC000683822547 487702730 /nfs/dbraw/zinc/70/27/30/487702730.db2.gz JWKFSPLTOTXORA-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO CCCn1nccc1CN(C)Cc1c[nH+]c[nH]1 ZINC000668421854 487726397 /nfs/dbraw/zinc/72/63/97/487726397.db2.gz IOEHQAJFAFYLQN-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO CCCn1nccc1CN(C)Cc1c[nH]c[nH+]1 ZINC000668421854 487726404 /nfs/dbraw/zinc/72/64/04/487726404.db2.gz IOEHQAJFAFYLQN-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO CCc1nnc([C@H](C)Nc2cc(CC)[nH+]cn2)[nH]1 ZINC000677809660 488128825 /nfs/dbraw/zinc/12/88/25/488128825.db2.gz NYUIGGSJPFOWEJ-QMMMGPOBSA-N 1 2 246.318 1.893 20 0 BDADLO C[C@H](O)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000235565631 488138048 /nfs/dbraw/zinc/13/80/48/488138048.db2.gz SJABUPNLVREVHS-JTQLQIEISA-N 1 2 236.315 1.171 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H]2CCC[C@H]2C1 ZINC000160583294 488145701 /nfs/dbraw/zinc/14/57/01/488145701.db2.gz CAHIQIDIKLBNEH-IUCAKERBSA-N 1 2 234.303 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H]2CCC[C@H]2C1 ZINC000160583294 488145707 /nfs/dbraw/zinc/14/57/07/488145707.db2.gz CAHIQIDIKLBNEH-IUCAKERBSA-N 1 2 234.303 1.304 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1nc(C)no1 ZINC000677888750 488148424 /nfs/dbraw/zinc/14/84/24/488148424.db2.gz NQAYSJIMPTUWON-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1nc(C)no1 ZINC000677888750 488148427 /nfs/dbraw/zinc/14/84/27/488148427.db2.gz NQAYSJIMPTUWON-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc(NC(=O)CCn2cc[nH+]c2)cs1 ZINC000677929239 488159108 /nfs/dbraw/zinc/15/91/08/488159108.db2.gz LDIZNGRFRUQQOG-UHFFFAOYSA-N 1 2 236.300 1.677 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cscn1 ZINC000085333171 488161375 /nfs/dbraw/zinc/16/13/75/488161375.db2.gz RMYISOALGGDKJK-STQMWFEESA-N 1 2 246.335 1.891 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cccc(O)c2)nn1 ZINC000404485900 488163602 /nfs/dbraw/zinc/16/36/02/488163602.db2.gz BGFXHQRDTVZKCJ-SNVBAGLBSA-N 1 2 246.314 1.854 20 0 BDADLO CC(C)[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000667943942 488164420 /nfs/dbraw/zinc/16/44/20/488164420.db2.gz BTBBDAJHGRSNSG-ZDUSSCGKSA-N 1 2 249.358 1.686 20 0 BDADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000677959316 488165788 /nfs/dbraw/zinc/16/57/88/488165788.db2.gz MDVYMYCONUYYKR-UWVGGRQHSA-N 1 2 234.303 1.112 20 0 BDADLO CCc1cc(N2CCC(=O)[C@H](C)C2)nc[nH+]1 ZINC000683458761 488166456 /nfs/dbraw/zinc/16/64/56/488166456.db2.gz LCGCETBFJMLZLN-SECBINFHSA-N 1 2 219.288 1.454 20 0 BDADLO C[C@@H](CNc1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000683457392 488166479 /nfs/dbraw/zinc/16/64/79/488166479.db2.gz RMPANNPSQNRGPA-ZETCQYMHSA-N 1 2 246.318 1.404 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000119284153 490046860 /nfs/dbraw/zinc/04/68/60/490046860.db2.gz DORZYYOEPLMJHA-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000119284153 490046862 /nfs/dbraw/zinc/04/68/62/490046862.db2.gz DORZYYOEPLMJHA-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000681554099 488173135 /nfs/dbraw/zinc/17/31/35/488173135.db2.gz MHZVZLHWXCTMTF-TUAOUCFPSA-N 1 2 247.342 1.560 20 0 BDADLO c1cc(C[NH2+]Cc2ccnn2CC2CC2)on1 ZINC000667978959 488174359 /nfs/dbraw/zinc/17/43/59/488174359.db2.gz UAWMJZNLQYEKFI-UHFFFAOYSA-N 1 2 232.287 1.571 20 0 BDADLO O=S(=O)(CCC1CCCC1)Nc1c[nH+]c[nH]1 ZINC000519801625 488184140 /nfs/dbraw/zinc/18/41/40/488184140.db2.gz HBRPRMFPKSPLOH-UHFFFAOYSA-N 1 2 243.332 1.732 20 0 BDADLO Nc1ccc(CNc2cc3c(nn2)CCC3)c[nH+]1 ZINC000683535526 488189558 /nfs/dbraw/zinc/18/95/58/488189558.db2.gz NGXXGJKNXIKGPA-UHFFFAOYSA-N 1 2 241.298 1.555 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(CCCO)C1CC1 ZINC000678095433 488196947 /nfs/dbraw/zinc/19/69/47/488196947.db2.gz AOJGQDFQOJSZON-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1nccs1 ZINC000683566274 488197528 /nfs/dbraw/zinc/19/75/28/488197528.db2.gz REUVBFCMFVEZTF-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1nccs1 ZINC000683566274 488197529 /nfs/dbraw/zinc/19/75/29/488197529.db2.gz REUVBFCMFVEZTF-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCOC2)c(C)c[nH+]1 ZINC000678099137 488198402 /nfs/dbraw/zinc/19/84/02/488198402.db2.gz XUOMURXFUACCBP-JTQLQIEISA-N 1 2 235.287 1.031 20 0 BDADLO CC[N@@H+](Cc1csnn1)C[C@H]1CCOC1 ZINC000678151516 488207092 /nfs/dbraw/zinc/20/70/92/488207092.db2.gz NPJFHIQNFBRVLD-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CC[N@H+](Cc1csnn1)C[C@H]1CCOC1 ZINC000678151516 488207094 /nfs/dbraw/zinc/20/70/94/488207094.db2.gz NPJFHIQNFBRVLD-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000678192436 488216224 /nfs/dbraw/zinc/21/62/24/488216224.db2.gz HSQOEAQEYAGIAO-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000678192436 488216226 /nfs/dbraw/zinc/21/62/26/488216226.db2.gz HSQOEAQEYAGIAO-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccc(C)n2)o1 ZINC000231651892 488219077 /nfs/dbraw/zinc/21/90/77/488219077.db2.gz GZRJJSDZVWGHAX-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCCn1nccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000668213847 488227544 /nfs/dbraw/zinc/22/75/44/488227544.db2.gz NJTPCJBFCORYQS-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO Cn1nncc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000678269367 488232145 /nfs/dbraw/zinc/23/21/45/488232145.db2.gz SXIBHDAQVLMFTN-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1nncc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000678269367 488232147 /nfs/dbraw/zinc/23/21/47/488232147.db2.gz SXIBHDAQVLMFTN-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1ccc(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000678273430 488233952 /nfs/dbraw/zinc/23/39/52/488233952.db2.gz MWGBVVMXEKIQMS-UHFFFAOYSA-N 1 2 216.288 1.307 20 0 BDADLO Cn1ccc(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000678273430 488233953 /nfs/dbraw/zinc/23/39/53/488233953.db2.gz MWGBVVMXEKIQMS-UHFFFAOYSA-N 1 2 216.288 1.307 20 0 BDADLO CCCn1cc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000678276012 488235235 /nfs/dbraw/zinc/23/52/35/488235235.db2.gz QCWAOJLJECVTCU-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO CCCn1cc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000678276012 488235237 /nfs/dbraw/zinc/23/52/37/488235237.db2.gz QCWAOJLJECVTCU-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO CC[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000683899650 488237515 /nfs/dbraw/zinc/23/75/15/488237515.db2.gz XGNGLNCJVJFVAK-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149080 488241807 /nfs/dbraw/zinc/24/18/07/488241807.db2.gz FGZVIOQMEDRBML-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccsc1 ZINC000672151570 488242124 /nfs/dbraw/zinc/24/21/24/488242124.db2.gz ZWXZVPUCVAWQMS-SNVBAGLBSA-N 1 2 247.323 1.689 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000678335054 488242288 /nfs/dbraw/zinc/24/22/88/488242288.db2.gz ZYKHCBXPJLWHFV-SECBINFHSA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000678335054 488242290 /nfs/dbraw/zinc/24/22/90/488242290.db2.gz ZYKHCBXPJLWHFV-SECBINFHSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@](O)(C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000672187656 488243593 /nfs/dbraw/zinc/24/35/93/488243593.db2.gz STAAMGCMICIPJZ-ZDUSSCGKSA-N 1 2 245.282 1.434 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc3ccccc3[nH]2)n1 ZINC000683929844 488246716 /nfs/dbraw/zinc/24/67/16/488246716.db2.gz GQUKIEZYPOJPEZ-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO CCc1nc(N2CCc3c[nH]nc3C2)cc(C)[nH+]1 ZINC000672241774 488247117 /nfs/dbraw/zinc/24/71/17/488247117.db2.gz GYMCJDCVXVZLBW-UHFFFAOYSA-N 1 2 243.314 1.633 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ccc(F)cn1)CC2 ZINC000672250002 488248117 /nfs/dbraw/zinc/24/81/17/488248117.db2.gz KZXBLQJEFFXIHG-UHFFFAOYSA-N 1 2 232.262 1.746 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@@H](C)c1nc(C)no1 ZINC000678478630 488259368 /nfs/dbraw/zinc/25/93/68/488259368.db2.gz MVVYLPALYSZDBM-QMMMGPOBSA-N 1 2 249.318 1.525 20 0 BDADLO CCc1cc(NC(=O)Cc2c[nH+]cn2C)no1 ZINC000672917453 488269068 /nfs/dbraw/zinc/26/90/68/488269068.db2.gz HDOHOOGPSIBRIN-UHFFFAOYSA-N 1 2 234.259 1.152 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673081415 488276153 /nfs/dbraw/zinc/27/61/53/488276153.db2.gz YYWBMTZSQZEBBA-IJLUTSLNSA-N 1 2 248.330 1.638 20 0 BDADLO O=c1[nH]nc(C[N@H+](C2CC2)C2CCCCC2)[nH]1 ZINC000678714752 488277094 /nfs/dbraw/zinc/27/70/94/488277094.db2.gz OAVVZMAMBQACHK-UHFFFAOYSA-N 1 2 236.319 1.807 20 0 BDADLO C[N@H+](CC(F)F)[C@@H](CC(N)=O)c1ccccc1 ZINC000684625280 488335212 /nfs/dbraw/zinc/33/52/12/488335212.db2.gz MDXNWZAYOSUVKA-JTQLQIEISA-N 1 2 242.269 1.800 20 0 BDADLO C[N@@H+](CC(F)F)[C@@H](CC(N)=O)c1ccccc1 ZINC000684625280 488335215 /nfs/dbraw/zinc/33/52/15/488335215.db2.gz MDXNWZAYOSUVKA-JTQLQIEISA-N 1 2 242.269 1.800 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1nccn1C ZINC000678769470 488281212 /nfs/dbraw/zinc/28/12/12/488281212.db2.gz DVXMREWQCBFZGI-NSHDSACASA-N 1 2 233.319 1.693 20 0 BDADLO Fc1c[nH+]ccc1N1CCN(CC(F)F)CC1 ZINC000678787515 488283504 /nfs/dbraw/zinc/28/35/04/488283504.db2.gz QVRVXVHPRQYTPK-UHFFFAOYSA-N 1 2 245.248 1.608 20 0 BDADLO Cc1nc(NCCc2ccc(CO)cc2)cc[nH+]1 ZINC000678830256 488288959 /nfs/dbraw/zinc/28/89/59/488288959.db2.gz QJKVZBANUHRYGT-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H](C)C2CC2)c[nH+]1 ZINC000673477806 488289439 /nfs/dbraw/zinc/28/94/39/488289439.db2.gz MEEJITOASPTFKY-SSDOTTSWSA-N 1 2 234.303 1.030 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cocn2)c(C)n1 ZINC000679048779 488304844 /nfs/dbraw/zinc/30/48/44/488304844.db2.gz JIRBSSACFPIIRC-QMMMGPOBSA-N 1 2 232.287 1.932 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCn2cnnc2C1 ZINC000673754730 488306620 /nfs/dbraw/zinc/30/66/20/488306620.db2.gz FYPKCANSJRCTPV-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCn2cnnc2C1 ZINC000673754730 488306622 /nfs/dbraw/zinc/30/66/22/488306622.db2.gz FYPKCANSJRCTPV-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C)n2)C[C@@H]1F ZINC000679220230 488318870 /nfs/dbraw/zinc/31/88/70/488318870.db2.gz DAPVDKJXZXSAQA-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@@H]1F ZINC000679220230 488318871 /nfs/dbraw/zinc/31/88/71/488318871.db2.gz DAPVDKJXZXSAQA-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679220679 488319078 /nfs/dbraw/zinc/31/90/78/488319078.db2.gz JCSJRAGACYCCSL-WDEREUQCSA-N 1 2 230.327 1.439 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679220679 488319081 /nfs/dbraw/zinc/31/90/81/488319081.db2.gz JCSJRAGACYCCSL-WDEREUQCSA-N 1 2 230.327 1.439 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)C(F)F ZINC000684497523 488322557 /nfs/dbraw/zinc/32/25/57/488322557.db2.gz UNZXTSQRLXUVQW-UHFFFAOYSA-N 1 2 245.273 1.513 20 0 BDADLO CC1(F)C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000684607079 488331350 /nfs/dbraw/zinc/33/13/50/488331350.db2.gz FBAKCBYJCNBOLZ-NSHDSACASA-N 1 2 215.312 1.971 20 0 BDADLO FC(F)(F)[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000684620043 488334093 /nfs/dbraw/zinc/33/40/93/488334093.db2.gz ZURBQXOPOSAHQZ-MRVPVSSYSA-N 1 2 235.209 1.173 20 0 BDADLO FC(F)(F)[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000684620043 488334094 /nfs/dbraw/zinc/33/40/94/488334094.db2.gz ZURBQXOPOSAHQZ-MRVPVSSYSA-N 1 2 235.209 1.173 20 0 BDADLO Cc1cc(NC(=O)N2CC=CCC2)cc[nH+]1 ZINC000679345642 488342593 /nfs/dbraw/zinc/34/25/93/488342593.db2.gz PULNSKJXSOWHMX-UHFFFAOYSA-N 1 2 217.272 1.606 20 0 BDADLO COCc1nc(C[NH+]2C3CCC2CC3)no1 ZINC000679532938 488356854 /nfs/dbraw/zinc/35/68/54/488356854.db2.gz CCHQXXIXBXBQMT-UHFFFAOYSA-N 1 2 223.276 1.343 20 0 BDADLO COC[C@H](C[NH2+]Cc1n[nH]c2ccccc21)OC ZINC000679721927 488365145 /nfs/dbraw/zinc/36/51/45/488365145.db2.gz ZTYNFOMGZZRTOI-JTQLQIEISA-N 1 2 249.314 1.314 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cncc(F)c1 ZINC000679835986 488367581 /nfs/dbraw/zinc/36/75/81/488367581.db2.gz ZERPYGYCJCITCW-SECBINFHSA-N 1 2 248.261 1.295 20 0 BDADLO CCc1cc(N2CCC[C@H]2C(=O)NC)nc(C)[nH+]1 ZINC000679837691 488367629 /nfs/dbraw/zinc/36/76/29/488367629.db2.gz ZCCJOAQGUDPNOV-NSHDSACASA-N 1 2 248.330 1.062 20 0 BDADLO O=S1CC[NH+](CCCC2CCC2)CC1 ZINC000595315536 490159364 /nfs/dbraw/zinc/15/93/64/490159364.db2.gz RDYMMOHXLRKOSM-UHFFFAOYSA-N 1 2 215.362 1.631 20 0 BDADLO CCc1nn(C)cc1CNc1ccc(OC)c[nH+]1 ZINC000220984063 490164457 /nfs/dbraw/zinc/16/44/57/490164457.db2.gz UEAVHOJMVSUKEA-UHFFFAOYSA-N 1 2 246.314 1.998 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCS[C@H](C)C2)on1 ZINC000555880886 490197252 /nfs/dbraw/zinc/19/72/52/490197252.db2.gz YWUBQJKWALNZAD-MRVPVSSYSA-N 1 2 240.328 1.815 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCS[C@H](C)C2)on1 ZINC000555880886 490197258 /nfs/dbraw/zinc/19/72/58/490197258.db2.gz YWUBQJKWALNZAD-MRVPVSSYSA-N 1 2 240.328 1.815 20 0 BDADLO Cc1nc(N[C@@H]2CCCC(F)(F)[C@H]2O)cc[nH+]1 ZINC000413585299 490201941 /nfs/dbraw/zinc/20/19/41/490201941.db2.gz USDCKPRSGUMHFC-SCZZXKLOSA-N 1 2 243.257 1.746 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nccn1C ZINC000078679863 490216923 /nfs/dbraw/zinc/21/69/23/490216923.db2.gz ADRAUEDKXPLNKL-QMMMGPOBSA-N 1 2 234.303 1.876 20 0 BDADLO CCOc1cccc(NCc2[nH]cc[nH+]2)n1 ZINC000070646506 490230704 /nfs/dbraw/zinc/23/07/04/490230704.db2.gz LGBNIMWQMSWBLB-UHFFFAOYSA-N 1 2 218.260 1.816 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1ccccc1F ZINC000334299364 490334785 /nfs/dbraw/zinc/33/47/85/490334785.db2.gz QPMYROXHAKJGLG-UHFFFAOYSA-N 1 2 248.261 1.881 20 0 BDADLO CN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000073172179 490425868 /nfs/dbraw/zinc/42/58/68/490425868.db2.gz JFCHECYLDGFIPH-UHFFFAOYSA-N 1 2 229.283 1.542 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000125495638 490437369 /nfs/dbraw/zinc/43/73/69/490437369.db2.gz NJWUUBHIPLYRCD-LLVKDONJSA-N 1 2 207.277 1.087 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000125495638 490437374 /nfs/dbraw/zinc/43/73/74/490437374.db2.gz NJWUUBHIPLYRCD-LLVKDONJSA-N 1 2 207.277 1.087 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079769629 490464176 /nfs/dbraw/zinc/46/41/76/490464176.db2.gz YPRXZHLPZBBADK-SNVBAGLBSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C[C@@H](O)C2CC2)n1 ZINC000079769629 490464182 /nfs/dbraw/zinc/46/41/82/490464182.db2.gz YPRXZHLPZBBADK-SNVBAGLBSA-N 1 2 239.319 1.396 20 0 BDADLO Cc1cccc(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000074726833 490501163 /nfs/dbraw/zinc/50/11/63/490501163.db2.gz YCQJLCOOGJGJLB-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1cccc(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000074726833 490501160 /nfs/dbraw/zinc/50/11/60/490501160.db2.gz YCQJLCOOGJGJLB-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000128159108 490574402 /nfs/dbraw/zinc/57/44/02/490574402.db2.gz YPHSIUSSGXDSNO-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000128159108 490574405 /nfs/dbraw/zinc/57/44/05/490574405.db2.gz YPHSIUSSGXDSNO-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO OCC1(C[NH2+]Cc2ccn[nH]2)CCCCC1 ZINC000086994263 491065245 /nfs/dbraw/zinc/06/52/45/491065245.db2.gz UCJDKOVIRLLUNF-UHFFFAOYSA-N 1 2 223.320 1.442 20 0 BDADLO CNC(=O)c1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000228482036 491094541 /nfs/dbraw/zinc/09/45/41/491094541.db2.gz YTZMIMIWJNHQBE-MRVPVSSYSA-N 1 2 242.269 1.789 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCCc1ccccc1 ZINC000075023952 491124524 /nfs/dbraw/zinc/12/45/24/491124524.db2.gz ZAXFAABJMAWVME-UHFFFAOYSA-N 1 2 244.342 1.880 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCCc1ccccc1 ZINC000075023952 491124525 /nfs/dbraw/zinc/12/45/25/491124525.db2.gz ZAXFAABJMAWVME-UHFFFAOYSA-N 1 2 244.342 1.880 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1COC(C)(C)C1 ZINC000396525013 491127654 /nfs/dbraw/zinc/12/76/54/491127654.db2.gz FZPVASOAXSJRNO-SSDOTTSWSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1COC(C)(C)C1 ZINC000396525013 491127655 /nfs/dbraw/zinc/12/76/55/491127655.db2.gz FZPVASOAXSJRNO-SSDOTTSWSA-N 1 2 238.291 1.047 20 0 BDADLO COc1ccc(N[C@H](C)Cn2cccn2)[nH+]c1 ZINC000231130248 491131625 /nfs/dbraw/zinc/13/16/25/491131625.db2.gz SJPVQJZRVKEXPF-SNVBAGLBSA-N 1 2 232.287 1.787 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cn(C)nc2C)o1 ZINC000224108169 491146680 /nfs/dbraw/zinc/14/66/80/491146680.db2.gz DITVQIJEQQYAGC-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC000891204693 582630573 /nfs/dbraw/zinc/63/05/73/582630573.db2.gz KKDJBZJOQXTYIX-MAYCQVCUSA-N 1 2 239.706 1.314 20 0 BDADLO CS[C@@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493100942 533907618 /nfs/dbraw/zinc/90/76/18/533907618.db2.gz BSQMQPOSEINUAN-RTMURIBGSA-N 1 2 225.317 1.291 20 0 BDADLO Cc1oc(C(C)(C)C)cc1C[N@H+](C)CC(N)=O ZINC000891581013 582699505 /nfs/dbraw/zinc/69/95/05/582699505.db2.gz FQMCPKUSAHJJQK-UHFFFAOYSA-N 1 2 238.331 1.803 20 0 BDADLO Cc1oc(C(C)(C)C)cc1C[N@@H+](C)CC(N)=O ZINC000891581013 582699506 /nfs/dbraw/zinc/69/95/06/582699506.db2.gz FQMCPKUSAHJJQK-UHFFFAOYSA-N 1 2 238.331 1.803 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493493279 534159405 /nfs/dbraw/zinc/15/94/05/534159405.db2.gz SGUPBPPALRDAHW-XKFHPXPTSA-N 1 2 233.315 1.975 20 0 BDADLO C[C@@H]1OCCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H]1C ZINC000493399703 534155547 /nfs/dbraw/zinc/15/55/47/534155547.db2.gz ZFIBYPCNFXBDJD-OHINUGQQSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000493106194 534275562 /nfs/dbraw/zinc/27/55/62/534275562.db2.gz NHCYMWJBCFWACG-ORAHPGNNSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000493129942 534275820 /nfs/dbraw/zinc/27/58/20/534275820.db2.gz VXWHZOWYBBJLML-LDYOUVJNSA-N 1 2 235.287 1.059 20 0 BDADLO CN(C)C(=O)CN(C)c1[nH+]ccc2ccccc21 ZINC000527828351 517896573 /nfs/dbraw/zinc/89/65/73/517896573.db2.gz NIMNKXQIZZVRSV-UHFFFAOYSA-N 1 2 243.310 1.759 20 0 BDADLO CN(CCC(F)(F)F)C(=O)CCc1[nH]cc[nH+]1 ZINC000352288885 536315910 /nfs/dbraw/zinc/31/59/10/536315910.db2.gz FBLVCMKYLZGUKB-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO CN(C)c1cc(NCCOC(C)(C)C)[nH+]cn1 ZINC000892131741 582797380 /nfs/dbraw/zinc/79/73/80/582797380.db2.gz NRRPVYYVKXOMRF-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CN(C)c1cc(NCCOC(C)(C)C)nc[nH+]1 ZINC000892131741 582797383 /nfs/dbraw/zinc/79/73/83/582797383.db2.gz NRRPVYYVKXOMRF-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]21 ZINC000493502941 534786052 /nfs/dbraw/zinc/78/60/52/534786052.db2.gz YZGSOXYSJQPJCC-OCIBVNFRSA-N 1 2 217.272 1.434 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000493735729 534786843 /nfs/dbraw/zinc/78/68/43/534786843.db2.gz CIFMXXRUXPKHBT-UZPIOYONSA-N 1 2 231.299 1.681 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1C(F)F ZINC000492918597 534800758 /nfs/dbraw/zinc/80/07/58/534800758.db2.gz FJPZEPPYIUVUMB-ZBJFTSOASA-N 1 2 241.241 1.679 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)C1CCCC1 ZINC000493368035 534802603 /nfs/dbraw/zinc/80/26/03/534802603.db2.gz LGOFMOHBOOKLFL-FOQNGQEVSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](CO)CC1 ZINC000493802403 534804235 /nfs/dbraw/zinc/80/42/35/534804235.db2.gz JGMQJLVWPFWROW-HZQGSWDISA-N 1 2 249.314 1.090 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000494319291 534812079 /nfs/dbraw/zinc/81/20/79/534812079.db2.gz UPXVQROPLDZUPM-GFCCVEGCSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000494319291 534812082 /nfs/dbraw/zinc/81/20/82/534812082.db2.gz UPXVQROPLDZUPM-GFCCVEGCSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCCN1C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000496666314 534808927 /nfs/dbraw/zinc/80/89/27/534808927.db2.gz GPNYMLJSMBNAER-NSHDSACASA-N 1 2 247.298 1.360 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccccn1 ZINC000258708355 536427955 /nfs/dbraw/zinc/42/79/55/536427955.db2.gz FGXCWZWKGDWWQF-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccccn1 ZINC000258708355 536427958 /nfs/dbraw/zinc/42/79/58/536427958.db2.gz FGXCWZWKGDWWQF-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO CC(=O)NCCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494210096 526734357 /nfs/dbraw/zinc/73/43/57/526734357.db2.gz WZANDQQPFNFRFX-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CC(=O)NCCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494210096 526734359 /nfs/dbraw/zinc/73/43/59/526734359.db2.gz WZANDQQPFNFRFX-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000336028886 536472887 /nfs/dbraw/zinc/47/28/87/536472887.db2.gz XCKDNOQGSRULBM-UHFFFAOYSA-N 1 2 247.294 1.412 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000336028886 536472890 /nfs/dbraw/zinc/47/28/90/536472890.db2.gz XCKDNOQGSRULBM-UHFFFAOYSA-N 1 2 247.294 1.412 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493720180 527806366 /nfs/dbraw/zinc/80/63/66/527806366.db2.gz QBTUNOSNOUIVPE-UMBAGQNISA-N 1 2 235.287 1.107 20 0 BDADLO CC(C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492810703 527909010 /nfs/dbraw/zinc/90/90/10/527909010.db2.gz JBYUVRXWFXKIJK-PLNGDYQASA-N 1 2 207.277 1.537 20 0 BDADLO CC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493514925 527932887 /nfs/dbraw/zinc/93/28/87/527932887.db2.gz LBIQUUXDYKQOMO-NSCUHMNNSA-N 1 2 205.261 1.339 20 0 BDADLO CCN(CC(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493699992 527954675 /nfs/dbraw/zinc/95/46/75/527954675.db2.gz XCHYTAQTPRGKPK-WAYWQWQTSA-N 1 2 221.304 1.927 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493419523 527972650 /nfs/dbraw/zinc/97/26/50/527972650.db2.gz MLIWOZMUHLYXDI-OXRXFNFQSA-N 1 2 233.315 1.974 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493778003 527980072 /nfs/dbraw/zinc/98/00/72/527980072.db2.gz BEHXKACEOOXQBT-JLXHFUFZSA-N 1 2 233.315 1.974 20 0 BDADLO CC(C)O[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493285721 528057691 /nfs/dbraw/zinc/05/76/91/528057691.db2.gz AKIVHUKTEGYXMO-PGLGOXFNSA-N 1 2 249.314 1.449 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492890896 528123011 /nfs/dbraw/zinc/12/30/11/528123011.db2.gz CENJFORLWANRLV-HMDXOVGESA-N 1 2 231.299 1.848 20 0 BDADLO CC1CC(NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493871469 528157103 /nfs/dbraw/zinc/15/71/03/528157103.db2.gz PTUIEDMOFSVGQW-NSCUHMNNSA-N 1 2 205.261 1.338 20 0 BDADLO CC(C)c1nc(N(C)Cc2nncn2C)cc[nH+]1 ZINC000488441734 528365218 /nfs/dbraw/zinc/36/52/18/528365218.db2.gz SEBYOBJVZRSTFJ-UHFFFAOYSA-N 1 2 246.318 1.365 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488203294 528384993 /nfs/dbraw/zinc/38/49/93/528384993.db2.gz VMNLANIQTOTYGW-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488203294 528385001 /nfs/dbraw/zinc/38/50/01/528385001.db2.gz VMNLANIQTOTYGW-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCCCN(OC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493567810 528446874 /nfs/dbraw/zinc/44/68/74/528446874.db2.gz ZQWRRAWWDGCONH-AATRIKPKSA-N 1 2 223.276 1.613 20 0 BDADLO CCC[C@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCOC1 ZINC000493349100 528527013 /nfs/dbraw/zinc/52/70/13/528527013.db2.gz FZDPDFWMEAGBOR-OOPCZODUSA-N 1 2 249.314 1.498 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811039 528699833 /nfs/dbraw/zinc/69/98/33/528699833.db2.gz JQXOQDNUICXZRO-UFFNRZRYSA-N 1 2 219.288 1.680 20 0 BDADLO CC(F)(F)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493496475 528733451 /nfs/dbraw/zinc/73/34/51/528733451.db2.gz WLBGITJNOGHRQY-IHWYPQMZSA-N 1 2 215.203 1.194 20 0 BDADLO CCC[C@@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488394591 528914379 /nfs/dbraw/zinc/91/43/79/528914379.db2.gz IOXUUDMZOKPNDP-SNVBAGLBSA-N 1 2 237.351 1.659 20 0 BDADLO CCC[C@@H](CC)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488394591 528914382 /nfs/dbraw/zinc/91/43/82/528914382.db2.gz IOXUUDMZOKPNDP-SNVBAGLBSA-N 1 2 237.351 1.659 20 0 BDADLO CC[C@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488379169 529238079 /nfs/dbraw/zinc/23/80/79/529238079.db2.gz KXDQSUVKPSUGRK-IUCAKERBSA-N 1 2 237.351 1.514 20 0 BDADLO CC[C@H](C)[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379169 529238081 /nfs/dbraw/zinc/23/80/81/529238081.db2.gz KXDQSUVKPSUGRK-IUCAKERBSA-N 1 2 237.351 1.514 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000335306383 534986904 /nfs/dbraw/zinc/98/69/04/534986904.db2.gz JUHMMPCVXIVRPX-QWRGUYRKSA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000335306383 534986910 /nfs/dbraw/zinc/98/69/10/534986910.db2.gz JUHMMPCVXIVRPX-QWRGUYRKSA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335560369 535158336 /nfs/dbraw/zinc/15/83/36/535158336.db2.gz UEQFACNEISVHMC-VXGBXAGGSA-N 1 2 249.358 1.948 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092752 535217540 /nfs/dbraw/zinc/21/75/40/535217540.db2.gz HEAPPBOBDYLXKJ-GRYCIOLGSA-N 1 2 241.331 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092752 535217546 /nfs/dbraw/zinc/21/75/46/535217546.db2.gz HEAPPBOBDYLXKJ-GRYCIOLGSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000048561201 535396989 /nfs/dbraw/zinc/39/69/89/535396989.db2.gz ZYQYPYVWDBIRHQ-LLVKDONJSA-N 1 2 249.314 1.797 20 0 BDADLO CCOC(=O)[C@H](C)N(C)c1cc[nH+]c(C)c1 ZINC000261121845 535621094 /nfs/dbraw/zinc/62/10/94/535621094.db2.gz HKEVNNGCOCXBGE-JTQLQIEISA-N 1 2 222.288 1.778 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000168331883 535912368 /nfs/dbraw/zinc/91/23/68/535912368.db2.gz YSHSSTXMGWJQNX-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000342575831 535939527 /nfs/dbraw/zinc/93/95/27/535939527.db2.gz RMHKDXZGYCBWLJ-JOYOIKCWSA-N 1 2 221.304 1.473 20 0 BDADLO CCc1cc(N2CCOC[C@@H]2C2CC2)nc(C)[nH+]1 ZINC000273487273 536146616 /nfs/dbraw/zinc/14/66/16/536146616.db2.gz OIJKNACVAPCSDJ-CYBMUJFWSA-N 1 2 247.342 1.963 20 0 BDADLO COC(=O)C[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000260143122 536308037 /nfs/dbraw/zinc/30/80/37/536308037.db2.gz DSOLZCLQCRBQMQ-SECBINFHSA-N 1 2 237.303 1.964 20 0 BDADLO CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171690303 536314267 /nfs/dbraw/zinc/31/42/67/536314267.db2.gz WNHNCXADAJEWQF-MRVPVSSYSA-N 1 2 208.265 1.276 20 0 BDADLO COC(=O)C[C@H](C)Nc1cc(C(C)C)[nH+]cn1 ZINC000259569449 536338627 /nfs/dbraw/zinc/33/86/27/536338627.db2.gz WCEUAPDKAUTVKT-VIFPVBQESA-N 1 2 237.303 1.964 20 0 BDADLO COC1(C)C[NH+](Cc2sc(C)nc2C)C1 ZINC000335734931 536588461 /nfs/dbraw/zinc/58/84/61/536588461.db2.gz LETYBUZZNLBKST-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO COC(=O)[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)[C@H](C)O ZINC000248969045 536732737 /nfs/dbraw/zinc/73/27/37/536732737.db2.gz CEMUXZIKWMVUFE-MWGHHZFTSA-N 1 2 243.347 1.323 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@]1(C)CCCO1)C1CC1 ZINC000227771164 536740404 /nfs/dbraw/zinc/74/04/04/536740404.db2.gz LLTXPRJGIRYMES-PWSUYJOCSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@H](C)O ZINC000253354461 536745704 /nfs/dbraw/zinc/74/57/04/536745704.db2.gz DYGMDHUZEXHYOD-GARJFASQSA-N 1 2 243.347 1.467 20 0 BDADLO COCc1cnc(C[N@H+](C)C2CC2)s1 ZINC000342706642 536813217 /nfs/dbraw/zinc/81/32/17/536813217.db2.gz RBYUXSUHZPJIIN-UHFFFAOYSA-N 1 2 212.318 1.884 20 0 BDADLO COCc1cnc(C[N@@H+](C)C2CC2)s1 ZINC000342706642 536813223 /nfs/dbraw/zinc/81/32/23/536813223.db2.gz RBYUXSUHZPJIIN-UHFFFAOYSA-N 1 2 212.318 1.884 20 0 BDADLO COCCc1nc(C[NH+]2CCCCCC2)no1 ZINC000345566578 536834548 /nfs/dbraw/zinc/83/45/48/536834548.db2.gz JICLYESSSVZHEN-UHFFFAOYSA-N 1 2 239.319 1.635 20 0 BDADLO COCCc1nc(C[N@@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000351512524 536835895 /nfs/dbraw/zinc/83/58/95/536835895.db2.gz GFNUTRQKKRELBI-AOOOYVTPSA-N 1 2 239.319 1.346 20 0 BDADLO COCCc1nc(C[N@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000351512524 536835903 /nfs/dbraw/zinc/83/59/03/536835903.db2.gz GFNUTRQKKRELBI-AOOOYVTPSA-N 1 2 239.319 1.346 20 0 BDADLO CC(C)CN(C)C(=O)NCc1c[nH+]cn1C ZINC000290059862 537850479 /nfs/dbraw/zinc/85/04/79/537850479.db2.gz BVLFRAAWIKXKAU-UHFFFAOYSA-N 1 2 224.308 1.218 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000334230023 538060364 /nfs/dbraw/zinc/06/03/64/538060364.db2.gz RDJNSBOSOWENLS-IUCAKERBSA-N 1 2 207.277 1.352 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000334230023 538060367 /nfs/dbraw/zinc/06/03/67/538060367.db2.gz RDJNSBOSOWENLS-IUCAKERBSA-N 1 2 207.277 1.352 20 0 BDADLO CN(C)c1cc(NCCC2CC2)[nH+]cn1 ZINC000892705659 582961945 /nfs/dbraw/zinc/96/19/45/582961945.db2.gz VUVGJWMAOFSNNA-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CN(C)c1cc(NCCC2CC2)nc[nH+]1 ZINC000892705659 582961947 /nfs/dbraw/zinc/96/19/47/582961947.db2.gz VUVGJWMAOFSNNA-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO C[C@@H](CCO)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892729414 582970939 /nfs/dbraw/zinc/97/09/39/582970939.db2.gz BAJFFKKSAOLKHF-UWVGGRQHSA-N 1 2 224.304 1.565 20 0 BDADLO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C(=O)OC(C)(C)C ZINC000893233510 583075706 /nfs/dbraw/zinc/07/57/06/583075706.db2.gz SSEFIXZGAUURJI-DCAQKATOSA-N 1 2 243.347 1.610 20 0 BDADLO Cc1coc(C[N@H+](C)CC(=O)N2CCCC2)c1 ZINC000893913517 583246369 /nfs/dbraw/zinc/24/63/69/583246369.db2.gz UEPCTLWMKVXIMK-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO Cc1coc(C[N@@H+](C)CC(=O)N2CCCC2)c1 ZINC000893913517 583246371 /nfs/dbraw/zinc/24/63/71/583246371.db2.gz UEPCTLWMKVXIMK-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO CC[N@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000893920769 583247730 /nfs/dbraw/zinc/24/77/30/583247730.db2.gz CUQDJZZVIAPHNO-UHFFFAOYSA-N 1 2 214.290 1.381 20 0 BDADLO CC[N@@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000893920769 583247731 /nfs/dbraw/zinc/24/77/31/583247731.db2.gz CUQDJZZVIAPHNO-UHFFFAOYSA-N 1 2 214.290 1.381 20 0 BDADLO CCCSC[C@@H](C)[NH2+][C@H](C)C(=O)OC ZINC000894178481 583328116 /nfs/dbraw/zinc/32/81/16/583328116.db2.gz MJZGRKDNIRXZMR-RKDXNWHRSA-N 1 2 219.350 1.669 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(C3CC3)no2)C1 ZINC000853081140 588718810 /nfs/dbraw/zinc/71/88/10/588718810.db2.gz HZWYCDYJGGPTAF-VIFPVBQESA-N 1 2 223.276 1.340 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(C3CC3)no2)C1 ZINC000853081140 588718811 /nfs/dbraw/zinc/71/88/11/588718811.db2.gz HZWYCDYJGGPTAF-VIFPVBQESA-N 1 2 223.276 1.340 20 0 BDADLO Fc1cnc(NCCCn2cc[nH+]c2)cn1 ZINC000853084288 588718856 /nfs/dbraw/zinc/71/88/56/588718856.db2.gz HDRYYRUNRPDYQF-UHFFFAOYSA-N 1 2 221.239 1.314 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2c2cnccn2)[nH]1 ZINC000853468878 588744952 /nfs/dbraw/zinc/74/49/52/588744952.db2.gz ILJMDOROFREJJC-SECBINFHSA-N 1 2 215.260 1.541 20 0 BDADLO Fc1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000853468962 588744962 /nfs/dbraw/zinc/74/49/62/588744962.db2.gz JNGIMYGOCJWFDT-QMMMGPOBSA-N 1 2 233.250 1.680 20 0 BDADLO Cc1nn(C[N@H+]2CCC[C@@H](C)CC2)c(=O)o1 ZINC000853494327 588745765 /nfs/dbraw/zinc/74/57/65/588745765.db2.gz YTBMOJOPVRROJE-SECBINFHSA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@@H+]2CCC[C@@H](C)CC2)c(=O)o1 ZINC000853494327 588745766 /nfs/dbraw/zinc/74/57/66/588745766.db2.gz YTBMOJOPVRROJE-SECBINFHSA-N 1 2 225.292 1.224 20 0 BDADLO CC(C)[C@H]1CCN(C[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000853517611 588747260 /nfs/dbraw/zinc/74/72/60/588747260.db2.gz YXAVLCSZFNPPNM-GHMZBOCLSA-N 1 2 228.311 1.492 20 0 BDADLO CC(C)[C@H]1CCN(C[N@H+]2CC[C@@H](F)C2)C1=O ZINC000853517611 588747261 /nfs/dbraw/zinc/74/72/61/588747261.db2.gz YXAVLCSZFNPPNM-GHMZBOCLSA-N 1 2 228.311 1.492 20 0 BDADLO C[C@]1(C2CC2)C[N@H+](CN2CCCC2=O)CCO1 ZINC000853529509 588747812 /nfs/dbraw/zinc/74/78/12/588747812.db2.gz YCXWACBAVAXDBW-CYBMUJFWSA-N 1 2 238.331 1.067 20 0 BDADLO C[C@]1(C2CC2)C[N@@H+](CN2CCCC2=O)CCO1 ZINC000853529509 588747813 /nfs/dbraw/zinc/74/78/13/588747813.db2.gz YCXWACBAVAXDBW-CYBMUJFWSA-N 1 2 238.331 1.067 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1CN1CCCC1=O ZINC000853542084 588747949 /nfs/dbraw/zinc/74/79/49/588747949.db2.gz LMWXWCGNKVRRFR-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1CN1CCCC1=O ZINC000853542084 588747950 /nfs/dbraw/zinc/74/79/50/588747950.db2.gz LMWXWCGNKVRRFR-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[N@@H+](CC1=CCCOC1)Cn1ccsc1=O ZINC000853562434 588748973 /nfs/dbraw/zinc/74/89/73/588748973.db2.gz OXONMFBMIMIHSN-UHFFFAOYSA-N 1 2 240.328 1.146 20 0 BDADLO C[N@H+](CC1=CCCOC1)Cn1ccsc1=O ZINC000853562434 588748974 /nfs/dbraw/zinc/74/89/74/588748974.db2.gz OXONMFBMIMIHSN-UHFFFAOYSA-N 1 2 240.328 1.146 20 0 BDADLO Clc1cnn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853577236 588749287 /nfs/dbraw/zinc/74/92/87/588749287.db2.gz HMXLYRMZIVPQOC-RKDXNWHRSA-N 1 2 211.696 1.836 20 0 BDADLO Clc1cnn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853577236 588749288 /nfs/dbraw/zinc/74/92/88/588749288.db2.gz HMXLYRMZIVPQOC-RKDXNWHRSA-N 1 2 211.696 1.836 20 0 BDADLO C[C@@H]1c2ccccc2OCC[N@H+]1Cn1cnnc1 ZINC000853632299 588751169 /nfs/dbraw/zinc/75/11/69/588751169.db2.gz UIYJIRJQXITWMX-LLVKDONJSA-N 1 2 244.298 1.691 20 0 BDADLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cn1cnnc1 ZINC000853632299 588751170 /nfs/dbraw/zinc/75/11/70/588751170.db2.gz UIYJIRJQXITWMX-LLVKDONJSA-N 1 2 244.298 1.691 20 0 BDADLO C[C@H]1C[C@H](Nc2ncccn2)c2[nH+]ccn21 ZINC000853668429 588754177 /nfs/dbraw/zinc/75/41/77/588754177.db2.gz NFPDVKLYRFYNBF-IUCAKERBSA-N 1 2 215.260 1.791 20 0 BDADLO COc1ccc(CO[NH+]=C(N)[C@H](C)OC)cc1 ZINC000853674053 588754787 /nfs/dbraw/zinc/75/47/87/588754787.db2.gz PWADMTLZTSYRGM-VIFPVBQESA-N 1 2 238.287 1.729 20 0 BDADLO COC(OC)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000853680593 588755384 /nfs/dbraw/zinc/75/53/84/588755384.db2.gz HBBLROOPGBUAHX-SSDOTTSWSA-N 1 2 211.265 1.204 20 0 BDADLO COC(OC)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000853680213 588755445 /nfs/dbraw/zinc/75/54/45/588755445.db2.gz AQBTXVNDEPQXMY-QMMMGPOBSA-N 1 2 211.265 1.204 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCCOC(F)F ZINC000853679385 588755516 /nfs/dbraw/zinc/75/55/16/588755516.db2.gz WWGQQSXFSFWXGW-UHFFFAOYSA-N 1 2 245.229 1.362 20 0 BDADLO CC(C)c1nc(NC[C@@H]2COCO2)cc[nH+]1 ZINC000853687664 588756682 /nfs/dbraw/zinc/75/66/82/588756682.db2.gz YCRDNKQFSRQYGI-SECBINFHSA-N 1 2 223.276 1.385 20 0 BDADLO Cc1ncoc1CNc1cc(C)[nH+]cn1 ZINC000853640525 588751689 /nfs/dbraw/zinc/75/16/89/588751689.db2.gz KGJPWWRJOVXGTQ-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO COC1(C(N)=[NH+]OCCSC)CCOCC1 ZINC000853740782 588760774 /nfs/dbraw/zinc/76/07/74/588760774.db2.gz GQUQDGZJHPHRQE-UHFFFAOYSA-N 1 2 248.348 1.043 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2C=CCC2)nc[nH+]1 ZINC000853800782 588764053 /nfs/dbraw/zinc/76/40/53/588764053.db2.gz YXWKCXJUVIZBBL-ZJUUUORDSA-N 1 2 234.303 1.400 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2C=CCC2)[nH+]cn1 ZINC000853800782 588764054 /nfs/dbraw/zinc/76/40/54/588764054.db2.gz YXWKCXJUVIZBBL-ZJUUUORDSA-N 1 2 234.303 1.400 20 0 BDADLO c1cnc(CNc2cc(NC3CC3)[nH+]cn2)nc1 ZINC000853899447 588767828 /nfs/dbraw/zinc/76/78/28/588767828.db2.gz MKWQTZAGCJXVSD-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO c1cnc(CNc2cc(NC3CC3)nc[nH+]2)nc1 ZINC000853899447 588767829 /nfs/dbraw/zinc/76/78/29/588767829.db2.gz MKWQTZAGCJXVSD-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854097095 588774681 /nfs/dbraw/zinc/77/46/81/588774681.db2.gz ZQPIITVWPXDWFX-RNCFNFMXSA-N 1 2 248.330 1.816 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)[C@@H]2CCCO2)n1 ZINC000854132186 588775903 /nfs/dbraw/zinc/77/59/03/588775903.db2.gz OKMIMNCHTRBFAS-UWVGGRQHSA-N 1 2 239.319 1.537 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H](C1CC1)C(F)(F)F ZINC000854483003 588789306 /nfs/dbraw/zinc/78/93/06/588789306.db2.gz FGOWVWKFBXWHPW-VIFPVBQESA-N 1 2 247.220 1.409 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]2C[C@H]21 ZINC000854423035 588786487 /nfs/dbraw/zinc/78/64/87/588786487.db2.gz ZOQXCVRITXTAMH-OPQQBVKSSA-N 1 2 245.326 1.526 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]2C[C@H]21 ZINC000854423035 588786488 /nfs/dbraw/zinc/78/64/88/588786488.db2.gz ZOQXCVRITXTAMH-OPQQBVKSSA-N 1 2 245.326 1.526 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594406 588796492 /nfs/dbraw/zinc/79/64/92/588796492.db2.gz KSTXPKWPCQEHJB-FCZSHJHJSA-N 1 2 207.277 1.943 20 0 BDADLO CCC(C)=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594406 588796493 /nfs/dbraw/zinc/79/64/93/588796493.db2.gz KSTXPKWPCQEHJB-FCZSHJHJSA-N 1 2 207.277 1.943 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)c1ncccc1F ZINC000854686086 588801341 /nfs/dbraw/zinc/80/13/41/588801341.db2.gz RTJOHGYGNGZTCU-VIFPVBQESA-N 1 2 246.245 1.292 20 0 BDADLO CCn1cc([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000854853962 588813259 /nfs/dbraw/zinc/81/32/59/588813259.db2.gz KTCQBRUIGIZRAZ-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCC1(F)F ZINC000854819542 588812075 /nfs/dbraw/zinc/81/20/75/588812075.db2.gz XMCFSVJDLBPIMM-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854909143 588816477 /nfs/dbraw/zinc/81/64/77/588816477.db2.gz QLZAFUNTXYZBJV-NXEZZACHSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000854955496 588818806 /nfs/dbraw/zinc/81/88/06/588818806.db2.gz YVKHWOHEPQSYFS-BBBLOLIVSA-N 1 2 221.304 1.455 20 0 BDADLO CC[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000854960242 588819020 /nfs/dbraw/zinc/81/90/20/588819020.db2.gz AIAOPLAMJMRNPR-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO CO[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000855021210 588820841 /nfs/dbraw/zinc/82/08/41/588820841.db2.gz LJOWAHGJDFJZQM-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(CC1CCCC1)OCC[NH+]1CCOCC1 ZINC000143301926 582565737 /nfs/dbraw/zinc/56/57/37/582565737.db2.gz RQAHGXVGCMVJRU-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000855432803 588835752 /nfs/dbraw/zinc/83/57/52/588835752.db2.gz BLERNBNILXHASB-NXEZZACHSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000855432803 588835753 /nfs/dbraw/zinc/83/57/53/588835753.db2.gz BLERNBNILXHASB-NXEZZACHSA-N 1 2 231.299 1.349 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNC(=O)[C@H]1C[C@H]1C ZINC000890854493 582580528 /nfs/dbraw/zinc/58/05/28/582580528.db2.gz DTYZUYAXVLOGOX-KOLCDFICSA-N 1 2 243.310 1.915 20 0 BDADLO CO[C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000804840179 582588472 /nfs/dbraw/zinc/58/84/72/582588472.db2.gz BCTUFAJPYXWZSL-SNVBAGLBSA-N 1 2 247.298 1.441 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cnn(C)n2)[nH+]1 ZINC000804849524 582609082 /nfs/dbraw/zinc/60/90/82/582609082.db2.gz PEAHOWJAUHOZNC-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BDADLO C[C@@H](CC(=O)OCc1cc[nH]n1)n1cc[nH+]c1 ZINC000845285151 582611053 /nfs/dbraw/zinc/61/10/53/582611053.db2.gz HIUCQBPWAJSMJV-VIFPVBQESA-N 1 2 234.259 1.301 20 0 BDADLO CC1(C)C(C)(C)C1(C)NC(=O)Cn1cc[nH+]c1 ZINC000891161154 582617212 /nfs/dbraw/zinc/61/72/12/582617212.db2.gz BHMAMWYLIRBZHE-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccc(F)nc2)cnn1C ZINC000790939017 582637437 /nfs/dbraw/zinc/63/74/37/582637437.db2.gz YKWAVOQGOVPGKU-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccc(F)nc2)cnn1C ZINC000790939017 582637438 /nfs/dbraw/zinc/63/74/38/582637438.db2.gz YKWAVOQGOVPGKU-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO c1cn2ccnc(NCCCn3cc[nH+]c3)c2n1 ZINC000891409513 582680230 /nfs/dbraw/zinc/68/02/30/582680230.db2.gz SKVOAHJZFKIHRL-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1COC2(CCC2)C1 ZINC000855667886 588844707 /nfs/dbraw/zinc/84/47/07/588844707.db2.gz KWKQEQLOSLNDKK-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO CSCCNc1cccc([C@H](C)O)[nH+]1 ZINC000891511012 582694703 /nfs/dbraw/zinc/69/47/03/582694703.db2.gz LXWHEQMYRJOQIU-QMMMGPOBSA-N 1 2 212.318 1.910 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(CC3CCC3)c2)CCO1 ZINC000891543038 582695630 /nfs/dbraw/zinc/69/56/30/582695630.db2.gz OPESOEGASNDVLD-LBPRGKRZSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(CC3CCC3)c2)CCO1 ZINC000891543038 582695632 /nfs/dbraw/zinc/69/56/32/582695632.db2.gz OPESOEGASNDVLD-LBPRGKRZSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C2CCC2)CCO1 ZINC000891542668 582695860 /nfs/dbraw/zinc/69/58/60/582695860.db2.gz MYVLOFYGFCFTPH-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C2CCC2)CCO1 ZINC000891542668 582695861 /nfs/dbraw/zinc/69/58/61/582695861.db2.gz MYVLOFYGFCFTPH-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)(C)OCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855701136 588845515 /nfs/dbraw/zinc/84/55/15/588845515.db2.gz DYZDNAANPKTFIR-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c(C)n1 ZINC000891672101 582708693 /nfs/dbraw/zinc/70/86/93/582708693.db2.gz UIARJBGCNNCGNS-MNOVXSKESA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)c(C)n1 ZINC000891672101 582708694 /nfs/dbraw/zinc/70/86/94/582708694.db2.gz UIARJBGCNNCGNS-MNOVXSKESA-N 1 2 237.347 1.821 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C)c2C2CC2)[C@@H](C)CO1 ZINC000891671637 582708887 /nfs/dbraw/zinc/70/88/87/582708887.db2.gz QIZZAQYTJVIRKA-QWRGUYRKSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)[C@@H](C)CO1 ZINC000891671637 582708891 /nfs/dbraw/zinc/70/88/91/582708891.db2.gz QIZZAQYTJVIRKA-QWRGUYRKSA-N 1 2 249.358 1.907 20 0 BDADLO CC[C@@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000891684058 582709701 /nfs/dbraw/zinc/70/97/01/582709701.db2.gz FFWWYJUDSJHIJE-SNVBAGLBSA-N 1 2 232.287 1.345 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CC[C@H]2C[C@H]2C1 ZINC000663235200 582716252 /nfs/dbraw/zinc/71/62/52/582716252.db2.gz ZRQGBRGWWZEVHL-RYUDHWBXSA-N 1 2 248.330 1.325 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000891783213 582720555 /nfs/dbraw/zinc/72/05/55/582720555.db2.gz ASSAQSJPHLTHRX-GHMZBOCLSA-N 1 2 246.314 1.832 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc2nncn21 ZINC000891784575 582720818 /nfs/dbraw/zinc/72/08/18/582720818.db2.gz YZMDRONARFXXSS-JTQLQIEISA-N 1 2 242.286 1.426 20 0 BDADLO CC1(C)CN(c2nccn3c[nH+]cc23)CCO1 ZINC000891792806 582722046 /nfs/dbraw/zinc/72/20/46/582722046.db2.gz FGCPFHSMJCFBKI-UHFFFAOYSA-N 1 2 232.287 1.345 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000891935017 582740922 /nfs/dbraw/zinc/74/09/22/582740922.db2.gz LKPMJNREFHNJSX-QMMMGPOBSA-N 1 2 243.738 1.846 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000891935017 582740924 /nfs/dbraw/zinc/74/09/24/582740924.db2.gz LKPMJNREFHNJSX-QMMMGPOBSA-N 1 2 243.738 1.846 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000892048060 582772795 /nfs/dbraw/zinc/77/27/95/582772795.db2.gz GZBNKYNAVMGTRT-MNOVXSKESA-N 1 2 249.358 1.518 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000892048060 582772797 /nfs/dbraw/zinc/77/27/97/582772797.db2.gz GZBNKYNAVMGTRT-MNOVXSKESA-N 1 2 249.358 1.518 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn(C)c2C2CC2)[C@H]1C ZINC000892049926 582774280 /nfs/dbraw/zinc/77/42/80/582774280.db2.gz ULFQZZIQMWKRHZ-WDEREUQCSA-N 1 2 249.358 1.907 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn(C)c2C2CC2)[C@H]1C ZINC000892049926 582774282 /nfs/dbraw/zinc/77/42/82/582774282.db2.gz ULFQZZIQMWKRHZ-WDEREUQCSA-N 1 2 249.358 1.907 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000892050175 582775699 /nfs/dbraw/zinc/77/56/99/582775699.db2.gz RJVWOUUADUJBCO-UHFFFAOYSA-N 1 2 221.260 1.643 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000892050175 582775701 /nfs/dbraw/zinc/77/57/01/582775701.db2.gz RJVWOUUADUJBCO-UHFFFAOYSA-N 1 2 221.260 1.643 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000892054135 582776955 /nfs/dbraw/zinc/77/69/55/582776955.db2.gz LOIAUAVOVZGIQG-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000892054135 582776957 /nfs/dbraw/zinc/77/69/57/582776957.db2.gz LOIAUAVOVZGIQG-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO c1cn2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)sc2n1 ZINC000892056840 582777222 /nfs/dbraw/zinc/77/72/22/582777222.db2.gz YGCPTKDHEHJJOJ-AOOOYVTPSA-N 1 2 249.339 1.759 20 0 BDADLO c1cn2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)sc2n1 ZINC000892056840 582777224 /nfs/dbraw/zinc/77/72/24/582777224.db2.gz YGCPTKDHEHJJOJ-AOOOYVTPSA-N 1 2 249.339 1.759 20 0 BDADLO O=c1cc(N2CCC(n3cc[nH+]c3)CC2)nc[nH]1 ZINC000892160394 582803626 /nfs/dbraw/zinc/80/36/26/582803626.db2.gz WNBHJLFLLMBSRO-UHFFFAOYSA-N 1 2 245.286 1.220 20 0 BDADLO CC[C@H](CO)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902993 588853206 /nfs/dbraw/zinc/85/32/06/588853206.db2.gz OWVOWPFCUJUKJG-SNVBAGLBSA-N 1 2 247.298 1.600 20 0 BDADLO OCC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892337942 582859803 /nfs/dbraw/zinc/85/98/03/582859803.db2.gz HLFSWDLALGJKCI-NSHDSACASA-N 1 2 246.314 1.328 20 0 BDADLO CCC[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892501605 582898782 /nfs/dbraw/zinc/89/87/82/582898782.db2.gz DIZVYNNMQPJORS-VHSXEESVSA-N 1 2 224.304 1.708 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892502518 582899879 /nfs/dbraw/zinc/89/98/79/582899879.db2.gz SCGLKLOQQWFJHW-UMNHJUIQSA-N 1 2 238.331 1.954 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1cc(NC)nc[nH+]1 ZINC000892502836 582899909 /nfs/dbraw/zinc/89/99/09/582899909.db2.gz XOZUOEAVNAQDOX-RKDXNWHRSA-N 1 2 224.308 1.337 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000856134733 588862308 /nfs/dbraw/zinc/86/23/08/588862308.db2.gz FBCVCMDEIJSCCX-LLVKDONJSA-N 1 2 207.277 1.257 20 0 BDADLO COc1cc(C)[nH+]c(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782616478 582923715 /nfs/dbraw/zinc/92/37/15/582923715.db2.gz MIHZBDPDQCSRSV-SMDDNHRTSA-N 1 2 248.326 1.213 20 0 BDADLO CC[C@@H](COC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892623376 582932703 /nfs/dbraw/zinc/93/27/03/582932703.db2.gz WFWXCRYVVKTICN-UWVGGRQHSA-N 1 2 224.304 1.972 20 0 BDADLO CN(C)c1cc(N[C@@H](CCO)C2CC2)[nH+]cn1 ZINC000892657199 582941475 /nfs/dbraw/zinc/94/14/75/582941475.db2.gz KUVRWFKSWNLRFK-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(N[C@@H](CCO)C2CC2)nc[nH+]1 ZINC000892657199 582941478 /nfs/dbraw/zinc/94/14/78/582941478.db2.gz KUVRWFKSWNLRFK-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(S[C@H](C)CO)c12 ZINC000892740094 582974593 /nfs/dbraw/zinc/97/45/93/582974593.db2.gz MQOVPIKFHSMSCW-SSDOTTSWSA-N 1 2 237.328 1.993 20 0 BDADLO C[C@H](NC(=O)/C=C\[C@H]1CCCO1)c1[nH+]ccn1C ZINC000856280458 588866763 /nfs/dbraw/zinc/86/67/63/588866763.db2.gz SGQWNTYAEKIGFN-TUISVCKWSA-N 1 2 249.314 1.333 20 0 BDADLO COC/C(C)=C\C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279870 588866923 /nfs/dbraw/zinc/86/69/23/588866923.db2.gz KZNXIHUWAJMJLS-UJICNMFASA-N 1 2 237.303 1.190 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCC=CO1)c1[nH+]ccn1C ZINC000856280072 588867053 /nfs/dbraw/zinc/86/70/53/588867053.db2.gz ISFOQMRKWUIVLD-ZJUUUORDSA-N 1 2 235.287 1.290 20 0 BDADLO CC1=C(C(=O)N[C@H](C)c2[nH+]ccn2C)CCCO1 ZINC000856282176 588867244 /nfs/dbraw/zinc/86/72/44/588867244.db2.gz VNGSQNHCXUXCOU-SECBINFHSA-N 1 2 249.314 1.682 20 0 BDADLO CCc1cc(NCc2n[nH]c(=O)[nH]2)nc(CC)[nH+]1 ZINC000892875443 583001509 /nfs/dbraw/zinc/00/15/09/583001509.db2.gz VYKQVPMWMJUFSX-UHFFFAOYSA-N 1 2 248.290 1.037 20 0 BDADLO Cn1cc(C[NH2+]Cc2cocn2)c(C2CC2)n1 ZINC000892976658 583024206 /nfs/dbraw/zinc/02/42/06/583024206.db2.gz HOGDWXDKVGWLBR-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO C[C@@H](Nc1nc(N)[nH+]c(C2CC2)n1)c1ccc[nH]1 ZINC000893024806 583030880 /nfs/dbraw/zinc/03/08/80/583030880.db2.gz WBOHWVAFKRMAHA-SSDOTTSWSA-N 1 2 244.302 1.832 20 0 BDADLO C[C@@H](Nc1nc(N)nc(C2CC2)[nH+]1)c1ccc[nH]1 ZINC000893024806 583030883 /nfs/dbraw/zinc/03/08/83/583030883.db2.gz WBOHWVAFKRMAHA-SSDOTTSWSA-N 1 2 244.302 1.832 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H](C)CO1)c1[nH+]ccn1C ZINC000893045641 583037021 /nfs/dbraw/zinc/03/70/21/583037021.db2.gz ZMUXIJZBPATXIW-AEJSXWLSSA-N 1 2 237.303 1.022 20 0 BDADLO CCc1cc(N2C[C@@H](C)[C@@H](O)C2)nc(CC)[nH+]1 ZINC000893080915 583044609 /nfs/dbraw/zinc/04/46/09/583044609.db2.gz VDBQHCHNMJMEGP-KOLCDFICSA-N 1 2 235.331 1.418 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)CCO1 ZINC000893087608 583047079 /nfs/dbraw/zinc/04/70/79/583047079.db2.gz DNZWZPNMZDAFBG-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)CCO1 ZINC000893087608 583047083 /nfs/dbraw/zinc/04/70/83/583047083.db2.gz DNZWZPNMZDAFBG-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CCc1cc(N(C)CC2(O)CCC2)nc(CC)[nH+]1 ZINC000893174167 583064085 /nfs/dbraw/zinc/06/40/85/583064085.db2.gz UKTGBUGDTYIOHE-UHFFFAOYSA-N 1 2 249.358 1.953 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)ccn1 ZINC000856736347 588875438 /nfs/dbraw/zinc/87/54/38/588875438.db2.gz OAPCSMKLRXDKPL-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)ccn1 ZINC000856736347 588875439 /nfs/dbraw/zinc/87/54/39/588875439.db2.gz OAPCSMKLRXDKPL-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CC[C@H](OC)C2)n1 ZINC000854132098 583075364 /nfs/dbraw/zinc/07/53/64/583075364.db2.gz LESIVORAWMPKSG-BDAKNGLRSA-N 1 2 225.292 1.462 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)COC(C)=O ZINC000893265509 583080397 /nfs/dbraw/zinc/08/03/97/583080397.db2.gz LSDHRJSRTNBYEB-QMMMGPOBSA-N 1 2 224.260 1.454 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)COC(C)=O ZINC000893265508 583080708 /nfs/dbraw/zinc/08/07/08/583080708.db2.gz LSDHRJSRTNBYEB-MRVPVSSYSA-N 1 2 224.260 1.454 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C=CCC1 ZINC000855431589 583104618 /nfs/dbraw/zinc/10/46/18/583104618.db2.gz VWTPOEUKNVQGGE-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C=CCC1 ZINC000855431589 583104620 /nfs/dbraw/zinc/10/46/20/583104620.db2.gz VWTPOEUKNVQGGE-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO Cc1nnc(C[NH2+]CCN2CCC[C@@H]2C)s1 ZINC000893355364 583120669 /nfs/dbraw/zinc/12/06/69/583120669.db2.gz DWUKNOMJLQBFIY-VIFPVBQESA-N 1 2 240.376 1.420 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cn(C)nc1Cl ZINC000856789708 588877830 /nfs/dbraw/zinc/87/78/30/588877830.db2.gz OSJJVWMSGHZKPK-LURJTMIESA-N 1 2 205.664 1.521 20 0 BDADLO CO[C@@H](C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893396935 583135509 /nfs/dbraw/zinc/13/55/09/583135509.db2.gz MXCVQKATRNLFGJ-IUCAKERBSA-N 1 2 210.277 1.582 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CCC=C(F)C1)CCC2 ZINC000893438242 583143474 /nfs/dbraw/zinc/14/34/74/583143474.db2.gz YCOYFQYPKIVYAO-UHFFFAOYSA-N 1 2 235.306 1.968 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CCC=C(F)C1)CCC2 ZINC000893438242 583143476 /nfs/dbraw/zinc/14/34/76/583143476.db2.gz YCOYFQYPKIVYAO-UHFFFAOYSA-N 1 2 235.306 1.968 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893499620 583154057 /nfs/dbraw/zinc/15/40/57/583154057.db2.gz CPBPUTRIDVZYRL-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893499620 583154059 /nfs/dbraw/zinc/15/40/59/583154059.db2.gz CPBPUTRIDVZYRL-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@H]1C[C@H]1C ZINC000893520419 583156184 /nfs/dbraw/zinc/15/61/84/583156184.db2.gz XDKDFRSORCKEOT-JEZHCXPESA-N 1 2 220.272 1.836 20 0 BDADLO CCc1cc(N2C[C@H](O)C(C)(C)C2)nc(CC)[nH+]1 ZINC000893583372 583167095 /nfs/dbraw/zinc/16/70/95/583167095.db2.gz YILVFAQADLLORF-NSHDSACASA-N 1 2 249.358 1.809 20 0 BDADLO Cn1cc(C[N@H+]2CC=CCC2)c(Cl)n1 ZINC000857036701 588882807 /nfs/dbraw/zinc/88/28/07/588882807.db2.gz NDSDCRQEMUTGRH-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO Cn1cc(C[N@@H+]2CC=CCC2)c(Cl)n1 ZINC000857036701 588882808 /nfs/dbraw/zinc/88/28/08/588882808.db2.gz NDSDCRQEMUTGRH-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO CC[C@H]1CN(c2nccn3c[nH+]cc23)CCCO1 ZINC000893675757 583194307 /nfs/dbraw/zinc/19/43/07/583194307.db2.gz VFCBECHGGZQUCB-NSHDSACASA-N 1 2 246.314 1.735 20 0 BDADLO Cc1cc(CNc2nc[nH+]c(N)c2Cl)no1 ZINC000235826061 583200637 /nfs/dbraw/zinc/20/06/37/583200637.db2.gz ZQFGVSBYKHBHBS-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO Cc1cc(CNc2[nH+]cnc(N)c2Cl)no1 ZINC000235826061 583200639 /nfs/dbraw/zinc/20/06/39/583200639.db2.gz ZQFGVSBYKHBHBS-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO CNc1cc(N2CC[C@@]3(C2)CCCOC3)nc[nH+]1 ZINC000893741096 583216492 /nfs/dbraw/zinc/21/64/92/583216492.db2.gz MRXJWHBWXPEEED-CYBMUJFWSA-N 1 2 248.330 1.525 20 0 BDADLO CNc1cc(N2CC[C@@]3(C2)CCCOC3)[nH+]cn1 ZINC000893741096 583216493 /nfs/dbraw/zinc/21/64/93/583216493.db2.gz MRXJWHBWXPEEED-CYBMUJFWSA-N 1 2 248.330 1.525 20 0 BDADLO CC(C)[C@@H](CO)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893860676 583233862 /nfs/dbraw/zinc/23/38/62/583233862.db2.gz WIONWQVGLKOKPL-GHMZBOCLSA-N 1 2 238.331 1.811 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000857099920 588887240 /nfs/dbraw/zinc/88/72/40/588887240.db2.gz VNONWFDOKDZHOD-JGVFFNPUSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000857099920 588887241 /nfs/dbraw/zinc/88/72/41/588887241.db2.gz VNONWFDOKDZHOD-JGVFFNPUSA-N 1 2 237.221 1.576 20 0 BDADLO CC[C@H](CNc1cccc([C@H](C)O)[nH+]1)OC ZINC000893916398 583247430 /nfs/dbraw/zinc/24/74/30/583247430.db2.gz APRYQBHDUMBCFF-VHSXEESVSA-N 1 2 224.304 1.972 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000893952105 583260197 /nfs/dbraw/zinc/26/01/97/583260197.db2.gz AULPYMMCSFQJBD-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000893952105 583260200 /nfs/dbraw/zinc/26/02/00/583260200.db2.gz AULPYMMCSFQJBD-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000893950666 583260374 /nfs/dbraw/zinc/26/03/74/583260374.db2.gz KZOCYNZYVNVBPI-KIENENRBSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000893952106 583260534 /nfs/dbraw/zinc/26/05/34/583260534.db2.gz AULPYMMCSFQJBD-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000893952106 583260537 /nfs/dbraw/zinc/26/05/37/583260537.db2.gz AULPYMMCSFQJBD-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncnn2C)cnc1F ZINC000893965109 583263057 /nfs/dbraw/zinc/26/30/57/583263057.db2.gz YKEDBZOQQRKMGM-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cc1ccnc(CNc2cc(N(C)C)nc[nH+]2)c1 ZINC000893985769 583269437 /nfs/dbraw/zinc/26/94/37/583269437.db2.gz NNWMNQMOPMJMLT-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1ccnc(CNc2cc(N(C)C)[nH+]cn2)c1 ZINC000893985769 583269441 /nfs/dbraw/zinc/26/94/41/583269441.db2.gz NNWMNQMOPMJMLT-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894019069 583273701 /nfs/dbraw/zinc/27/37/01/583273701.db2.gz FUSOGCXGFBWBRZ-NSHDSACASA-N 1 2 223.320 1.495 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](CCCO)C2CC2)n1 ZINC000894021883 583274385 /nfs/dbraw/zinc/27/43/85/583274385.db2.gz YEMADTOEBQINPY-UHFFFAOYSA-N 1 2 237.347 1.880 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](CCCO)C2CC2)n1 ZINC000894021883 583274386 /nfs/dbraw/zinc/27/43/86/583274386.db2.gz YEMADTOEBQINPY-UHFFFAOYSA-N 1 2 237.347 1.880 20 0 BDADLO CCc1cc(N(C)[C@H](CC)CO)nc(CC)[nH+]1 ZINC000894016425 583275489 /nfs/dbraw/zinc/27/54/89/583275489.db2.gz RMSLLORVNHHHEO-LLVKDONJSA-N 1 2 237.347 1.809 20 0 BDADLO CC(C)c1c[nH]c(CN2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000894030206 583281456 /nfs/dbraw/zinc/28/14/56/583281456.db2.gz GRADMFNWOLJCMO-PHIMTYICSA-N 1 2 235.331 1.896 20 0 BDADLO CCCSC[C@@H](C)[NH2+][C@@H](C)C(=O)OC ZINC000894027893 583282059 /nfs/dbraw/zinc/28/20/59/583282059.db2.gz MJZGRKDNIRXZMR-BDAKNGLRSA-N 1 2 219.350 1.669 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)Cc2cccn2C)c1C ZINC000894044056 583286356 /nfs/dbraw/zinc/28/63/56/583286356.db2.gz SHQLKXZGBNUGRE-UHFFFAOYSA-N 1 2 232.331 1.997 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)Cc2cccn2C)c1C ZINC000894044056 583286357 /nfs/dbraw/zinc/28/63/57/583286357.db2.gz SHQLKXZGBNUGRE-UHFFFAOYSA-N 1 2 232.331 1.997 20 0 BDADLO Cc1ccncc1CNc1cc(N(C)C)nc[nH+]1 ZINC000894074200 583297719 /nfs/dbraw/zinc/29/77/19/583297719.db2.gz JUVZDRDNZCAQEC-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1ccncc1CNc1cc(N(C)C)[nH+]cn1 ZINC000894074200 583297721 /nfs/dbraw/zinc/29/77/21/583297721.db2.gz JUVZDRDNZCAQEC-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO COC(=O)CN(Cc1c(C)cc[nH+]c1N)C1CC1 ZINC000894087265 583298105 /nfs/dbraw/zinc/29/81/05/583298105.db2.gz AVKQDVRCZSZHLA-UHFFFAOYSA-N 1 2 249.314 1.110 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2n[nH]c(C)c2C)C[C@@H]1O ZINC000894095786 583301128 /nfs/dbraw/zinc/30/11/28/583301128.db2.gz RZZNFWIMNYHLIU-PWSUYJOCSA-N 1 2 223.320 1.229 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2n[nH]c(C)c2C)C[C@@H]1O ZINC000894095786 583301130 /nfs/dbraw/zinc/30/11/30/583301130.db2.gz RZZNFWIMNYHLIU-PWSUYJOCSA-N 1 2 223.320 1.229 20 0 BDADLO CCC1(CNc2cc(N(C)C)nc[nH+]2)COC1 ZINC000894099729 583304399 /nfs/dbraw/zinc/30/43/99/583304399.db2.gz PJXYKWDNQCXNER-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CCC1(CNc2cc(N(C)C)[nH+]cn2)COC1 ZINC000894099729 583304400 /nfs/dbraw/zinc/30/44/00/583304400.db2.gz PJXYKWDNQCXNER-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO C[C@H](O)c1cccc(NC[C@]2(C)CCC(=O)N2)[nH+]1 ZINC000894141299 583316823 /nfs/dbraw/zinc/31/68/23/583316823.db2.gz WEWGRZPHUGOUMF-ZANVPECISA-N 1 2 249.314 1.216 20 0 BDADLO C[C@H]1CC[C@@H](CNc2cc(N(C)C)nc[nH+]2)O1 ZINC000894152354 583319261 /nfs/dbraw/zinc/31/92/61/583319261.db2.gz KKCULMVWTRIGNW-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1CC[C@@H](CNc2cc(N(C)C)[nH+]cn2)O1 ZINC000894152354 583319264 /nfs/dbraw/zinc/31/92/64/583319264.db2.gz KKCULMVWTRIGNW-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO CC1C[NH+](Cc2cn(Cc3ccccc3)nn2)C1 ZINC000894158955 583320598 /nfs/dbraw/zinc/32/05/98/583320598.db2.gz RPPRNTQECXPQGG-UHFFFAOYSA-N 1 2 242.326 1.778 20 0 BDADLO COc1cnc(F)c(C[NH+]2CC3(CC3)C2)c1 ZINC000877555981 583329598 /nfs/dbraw/zinc/32/95/98/583329598.db2.gz IECMZCFUMOGQHN-UHFFFAOYSA-N 1 2 222.263 1.825 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814179505 583343297 /nfs/dbraw/zinc/34/32/97/583343297.db2.gz DMPQADACVVOWLG-JTQLQIEISA-N 1 2 237.303 1.244 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000814179505 583343298 /nfs/dbraw/zinc/34/32/98/583343298.db2.gz DMPQADACVVOWLG-JTQLQIEISA-N 1 2 237.303 1.244 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814179508 583343350 /nfs/dbraw/zinc/34/33/50/583343350.db2.gz DMPQADACVVOWLG-SNVBAGLBSA-N 1 2 237.303 1.244 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000814179508 583343354 /nfs/dbraw/zinc/34/33/54/583343354.db2.gz DMPQADACVVOWLG-SNVBAGLBSA-N 1 2 237.303 1.244 20 0 BDADLO Cc1cc(C)c2c(c1)C[N@@H+](CN1CCC1=O)CC2 ZINC000857235814 588900140 /nfs/dbraw/zinc/90/01/40/588900140.db2.gz VQVSTQSXMJQWLJ-UHFFFAOYSA-N 1 2 244.338 1.851 20 0 BDADLO Cc1cc(C)c2c(c1)C[N@H+](CN1CCC1=O)CC2 ZINC000857235814 588900141 /nfs/dbraw/zinc/90/01/41/588900141.db2.gz VQVSTQSXMJQWLJ-UHFFFAOYSA-N 1 2 244.338 1.851 20 0 BDADLO O=C1C[N@H+](Cc2ccc(Cl)cc2)CCCN1 ZINC000726791729 583374138 /nfs/dbraw/zinc/37/41/38/583374138.db2.gz IDPYVPZTPCLWEL-UHFFFAOYSA-N 1 2 238.718 1.662 20 0 BDADLO O=C1C[N@@H+](Cc2ccc(Cl)cc2)CCCN1 ZINC000726791729 583374141 /nfs/dbraw/zinc/37/41/41/583374141.db2.gz IDPYVPZTPCLWEL-UHFFFAOYSA-N 1 2 238.718 1.662 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000878532221 583380248 /nfs/dbraw/zinc/38/02/48/583380248.db2.gz BOLVVRFDJKIBSH-PHIMTYICSA-N 1 2 233.315 1.811 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000878532221 583380250 /nfs/dbraw/zinc/38/02/50/583380250.db2.gz BOLVVRFDJKIBSH-PHIMTYICSA-N 1 2 233.315 1.811 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)cc1)CN1CCC1=O ZINC000857228958 588896699 /nfs/dbraw/zinc/89/66/99/588896699.db2.gz JCDBSSMBQMZTRZ-UHFFFAOYSA-N 1 2 238.718 1.962 20 0 BDADLO C[N@H+](Cc1ccc(Cl)cc1)CN1CCC1=O ZINC000857228958 588896701 /nfs/dbraw/zinc/89/67/01/588896701.db2.gz JCDBSSMBQMZTRZ-UHFFFAOYSA-N 1 2 238.718 1.962 20 0 BDADLO Cc1cnc(CC[N@@H+](C)CN2CCC2=O)s1 ZINC000857233363 588898141 /nfs/dbraw/zinc/89/81/41/588898141.db2.gz FDHKULJQDFIZOL-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1cnc(CC[N@H+](C)CN2CCC2=O)s1 ZINC000857233363 588898144 /nfs/dbraw/zinc/89/81/44/588898144.db2.gz FDHKULJQDFIZOL-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000894340346 583428495 /nfs/dbraw/zinc/42/84/95/583428495.db2.gz NNHVBERCMIIPNJ-OLZOCXBDSA-N 1 2 229.283 1.158 20 0 BDADLO CCc1c(C(=O)NCc2c[nH+]cn2C)ccn1C ZINC000291144951 583430176 /nfs/dbraw/zinc/43/01/76/583430176.db2.gz GJHFACFHWHMOMR-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO C[C@H](CCO)N(C)c1cccc([C@H](C)O)[nH+]1 ZINC000894405571 583450620 /nfs/dbraw/zinc/45/06/20/583450620.db2.gz FPARCYLZSQMKJX-ZJUUUORDSA-N 1 2 224.304 1.342 20 0 BDADLO Cc1ncoc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000894452761 583463338 /nfs/dbraw/zinc/46/33/38/583463338.db2.gz HBQCRRVBUWCPRB-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncoc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000894452761 583463340 /nfs/dbraw/zinc/46/33/40/583463340.db2.gz HBQCRRVBUWCPRB-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncoc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000894452763 583463357 /nfs/dbraw/zinc/46/33/57/583463357.db2.gz HBQCRRVBUWCPRB-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncoc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000894452763 583463359 /nfs/dbraw/zinc/46/33/59/583463359.db2.gz HBQCRRVBUWCPRB-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)C2CC(O)C2)n1 ZINC000894462706 583468469 /nfs/dbraw/zinc/46/84/69/583468469.db2.gz ZYYXOVBYQQXZSL-UHFFFAOYSA-N 1 2 223.320 1.488 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)C2CC(O)C2)n1 ZINC000894462706 583468470 /nfs/dbraw/zinc/46/84/70/583468470.db2.gz ZYYXOVBYQQXZSL-UHFFFAOYSA-N 1 2 223.320 1.488 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ocnc1C ZINC000894471714 583469237 /nfs/dbraw/zinc/46/92/37/583469237.db2.gz VULJKUQSPFGATB-SNVBAGLBSA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ocnc1C ZINC000894471714 583469239 /nfs/dbraw/zinc/46/92/39/583469239.db2.gz VULJKUQSPFGATB-SNVBAGLBSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1C ZINC000894532543 583478532 /nfs/dbraw/zinc/47/85/32/583478532.db2.gz HVZAOFJGCSDCEP-PRHODGIISA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1C ZINC000894532543 583478534 /nfs/dbraw/zinc/47/85/34/583478534.db2.gz HVZAOFJGCSDCEP-PRHODGIISA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)[C@H]2CO)c1C ZINC000894532545 583479000 /nfs/dbraw/zinc/47/90/00/583479000.db2.gz HVZAOFJGCSDCEP-QPUJVOFHSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1C ZINC000894532545 583479001 /nfs/dbraw/zinc/47/90/01/583479001.db2.gz HVZAOFJGCSDCEP-QPUJVOFHSA-N 1 2 223.320 1.229 20 0 BDADLO CCCCC[C@H](NCc1c[nH+]c[nH]1)C(=O)OC ZINC000894539547 583480690 /nfs/dbraw/zinc/48/06/90/583480690.db2.gz SVQWVEJTVMLANC-NSHDSACASA-N 1 2 239.319 1.621 20 0 BDADLO CCCCC[C@H](NCc1c[nH]c[nH+]1)C(=O)OC ZINC000894539547 583480692 /nfs/dbraw/zinc/48/06/92/583480692.db2.gz SVQWVEJTVMLANC-NSHDSACASA-N 1 2 239.319 1.621 20 0 BDADLO CC[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894549411 583482938 /nfs/dbraw/zinc/48/29/38/583482938.db2.gz CZLFHBRPOIDOHG-DTWKUNHWSA-N 1 2 210.277 1.318 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894621231 583493523 /nfs/dbraw/zinc/49/35/23/583493523.db2.gz UBTBPMOFLJUXKW-SECBINFHSA-N 1 2 239.319 1.526 20 0 BDADLO CO[C@@H](C(=O)OCc1cc[nH+]c(N)c1)C(C)C ZINC000792150750 583500427 /nfs/dbraw/zinc/50/04/27/583500427.db2.gz NYHZFJLKJSYTED-LLVKDONJSA-N 1 2 238.287 1.378 20 0 BDADLO CNc1cc(N2CC3CC2(C)C3)nc[nH+]1 ZINC000894657728 583500925 /nfs/dbraw/zinc/50/09/25/583500925.db2.gz OASHICFCJMKLAQ-UHFFFAOYSA-N 1 2 204.277 1.507 20 0 BDADLO CNc1cc(N2CC3CC2(C)C3)[nH+]cn1 ZINC000894657728 583500927 /nfs/dbraw/zinc/50/09/27/583500927.db2.gz OASHICFCJMKLAQ-UHFFFAOYSA-N 1 2 204.277 1.507 20 0 BDADLO COc1ccc(C[NH2+][C@@H]2CCn3ccnc32)o1 ZINC000894669046 583503143 /nfs/dbraw/zinc/50/31/43/583503143.db2.gz PBTGZONDZXSYBV-SNVBAGLBSA-N 1 2 233.271 1.719 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccc(OC)cn2)co1 ZINC000894746139 583515112 /nfs/dbraw/zinc/51/51/12/583515112.db2.gz TZMBDZSWLQHWSC-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)C(=O)OC(C)(C)C ZINC000894775872 583518558 /nfs/dbraw/zinc/51/85/58/583518558.db2.gz GIIXIAYEYKYUOH-OUAUKWLOSA-N 1 2 243.347 1.467 20 0 BDADLO COC1C[NH+](Cc2nccc3c2CCCC3)C1 ZINC000894818239 583524385 /nfs/dbraw/zinc/52/43/85/583524385.db2.gz AOFFQJLSSWCQRC-UHFFFAOYSA-N 1 2 232.327 1.791 20 0 BDADLO Cc1nc(C[NH+]2CC(C)(CO)C2)sc1C ZINC000894841093 583529952 /nfs/dbraw/zinc/52/99/52/583529952.db2.gz RVJWMOODDORDMR-UHFFFAOYSA-N 1 2 226.345 1.574 20 0 BDADLO COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894873809 583540977 /nfs/dbraw/zinc/54/09/77/583540977.db2.gz KLIKYMWZRPYCGZ-CSMHCCOUSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894873809 583540979 /nfs/dbraw/zinc/54/09/79/583540979.db2.gz KLIKYMWZRPYCGZ-CSMHCCOUSA-N 1 2 237.221 1.085 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1C ZINC000894950421 583559165 /nfs/dbraw/zinc/55/91/65/583559165.db2.gz RXUVSOSLNBALQW-KCJUWKMLSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c1C ZINC000894950421 583559167 /nfs/dbraw/zinc/55/91/67/583559167.db2.gz RXUVSOSLNBALQW-KCJUWKMLSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(OC(C)C)C2)[nH+]1 ZINC000894966582 583560184 /nfs/dbraw/zinc/56/01/84/583560184.db2.gz DQEMYYNTZFOXMP-UHFFFAOYSA-N 1 2 246.314 1.880 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1C ZINC000895014223 583567858 /nfs/dbraw/zinc/56/78/58/583567858.db2.gz HVXMOJWVXMZRHV-NWDGAFQWSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1C ZINC000895014223 583567859 /nfs/dbraw/zinc/56/78/59/583567859.db2.gz HVXMOJWVXMZRHV-NWDGAFQWSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)no1 ZINC000857850122 588912510 /nfs/dbraw/zinc/91/25/10/588912510.db2.gz OQZCINCZTWMMAN-LLVKDONJSA-N 1 2 232.287 1.873 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cncs2)[C@H]1C ZINC000895119203 583592977 /nfs/dbraw/zinc/59/29/77/583592977.db2.gz WIGFWUJAPHZZEH-CIUDSAMLSA-N 1 2 239.344 1.240 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cncs2)[C@H]1C ZINC000895119203 583592978 /nfs/dbraw/zinc/59/29/78/583592978.db2.gz WIGFWUJAPHZZEH-CIUDSAMLSA-N 1 2 239.344 1.240 20 0 BDADLO CSc1ccc[nH+]c1N[C@@H](C)CCO ZINC000895162573 583610933 /nfs/dbraw/zinc/61/09/33/583610933.db2.gz HVFBPOZOYFOKAP-QMMMGPOBSA-N 1 2 212.318 1.986 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+][C@@H]1CCCc3cn[nH]c31)CC2 ZINC000857868187 588916476 /nfs/dbraw/zinc/91/64/76/588916476.db2.gz QLNODJFHXDIEEG-GHMZBOCLSA-N 1 2 243.314 1.718 20 0 BDADLO CCn1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)n1 ZINC000857870816 588917841 /nfs/dbraw/zinc/91/78/41/588917841.db2.gz ZGFTYCHBJPORSF-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO Cc1noc(CN(C)Cc2c(C)cc[nH+]c2N)n1 ZINC000895189249 583619503 /nfs/dbraw/zinc/61/95/03/583619503.db2.gz CJXISVFBDZAQDO-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO COC1(OC)CC(Nc2nc[nH+]c(C)c2C)C1 ZINC000895252743 583633301 /nfs/dbraw/zinc/63/33/01/583633301.db2.gz RZOOMOMXFRDPBL-UHFFFAOYSA-N 1 2 237.303 1.657 20 0 BDADLO CC1=NO[C@H](C[NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000895305747 583643751 /nfs/dbraw/zinc/64/37/51/583643751.db2.gz WCMKIYRYFWDQEN-NSHDSACASA-N 1 2 237.307 1.113 20 0 BDADLO CC1=NO[C@H](C[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000895309881 583646662 /nfs/dbraw/zinc/64/66/62/583646662.db2.gz WQOYCVIUBUYUFO-JTQLQIEISA-N 1 2 244.298 1.817 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H]2CC(C)=NO2)cs1 ZINC000895311832 583647081 /nfs/dbraw/zinc/64/70/81/583647081.db2.gz RZQPCDXMNUXRKR-JTQLQIEISA-N 1 2 225.317 1.706 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)nn1 ZINC000857877411 588919220 /nfs/dbraw/zinc/91/92/20/588919220.db2.gz LZGLIOLJRSXOFQ-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)nn1 ZINC000857877411 588919222 /nfs/dbraw/zinc/91/92/22/588919222.db2.gz LZGLIOLJRSXOFQ-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO FC(F)[C@H]1CC[N@@H+]1CC1CCOCC1 ZINC000895431431 583670296 /nfs/dbraw/zinc/67/02/96/583670296.db2.gz MYCIYZOVUDCISS-SECBINFHSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@H]1CC[N@H+]1CC1CCOCC1 ZINC000895431431 583670297 /nfs/dbraw/zinc/67/02/97/583670297.db2.gz MYCIYZOVUDCISS-SECBINFHSA-N 1 2 205.248 1.752 20 0 BDADLO CO[C@@]1(C[N@@H+]2CC[C@H]2C(F)F)CCOC1 ZINC000895432241 583670929 /nfs/dbraw/zinc/67/09/29/583670929.db2.gz XQXXPHKHBZJUFO-WCBMZHEXSA-N 1 2 221.247 1.131 20 0 BDADLO CO[C@@]1(C[N@H+]2CC[C@H]2C(F)F)CCOC1 ZINC000895432241 583670930 /nfs/dbraw/zinc/67/09/30/583670930.db2.gz XQXXPHKHBZJUFO-WCBMZHEXSA-N 1 2 221.247 1.131 20 0 BDADLO CC(C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895424041 583674154 /nfs/dbraw/zinc/67/41/54/583674154.db2.gz LAZYTPCYPJSBBC-NSHDSACASA-N 1 2 236.319 1.315 20 0 BDADLO CC(C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895424041 583674155 /nfs/dbraw/zinc/67/41/55/583674155.db2.gz LAZYTPCYPJSBBC-NSHDSACASA-N 1 2 236.319 1.315 20 0 BDADLO CC(C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895424041 583674157 /nfs/dbraw/zinc/67/41/57/583674157.db2.gz LAZYTPCYPJSBBC-NSHDSACASA-N 1 2 236.319 1.315 20 0 BDADLO CC(C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000895424041 583674159 /nfs/dbraw/zinc/67/41/59/583674159.db2.gz LAZYTPCYPJSBBC-NSHDSACASA-N 1 2 236.319 1.315 20 0 BDADLO CCC/C=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884807 588920563 /nfs/dbraw/zinc/92/05/63/588920563.db2.gz LUTPWWTXXNWKAB-UMCURTJPSA-N 1 2 219.288 1.280 20 0 BDADLO C[C@@H]([NH2+]C1([C@H](C)O)CC1)C(=O)OC(C)(C)C ZINC000895441928 583675489 /nfs/dbraw/zinc/67/54/89/583675489.db2.gz HRIFJDHFAOAKFP-BDAKNGLRSA-N 1 2 229.320 1.220 20 0 BDADLO C[C@H](O)C1([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000895441931 583675497 /nfs/dbraw/zinc/67/54/97/583675497.db2.gz HRIFJDHFAOAKFP-IUCAKERBSA-N 1 2 229.320 1.220 20 0 BDADLO COC(=O)CC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC000895499594 583681381 /nfs/dbraw/zinc/68/13/81/583681381.db2.gz AUCOAEKTSFXRQY-UHFFFAOYSA-N 1 2 235.287 1.539 20 0 BDADLO COC(=O)/C(C)=C\CNc1cc[nH+]c(C2CC2)n1 ZINC000895515146 583683181 /nfs/dbraw/zinc/68/31/81/583683181.db2.gz YEARCKPRANFBHW-UITAMQMPSA-N 1 2 247.298 1.885 20 0 BDADLO CO[C@H](CO[NH+]=C(N)CO)C1CCCCC1 ZINC000883012962 583684195 /nfs/dbraw/zinc/68/41/95/583684195.db2.gz AEBNWRITSOLRCK-SNVBAGLBSA-N 1 2 230.308 1.072 20 0 BDADLO CCCSC[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000895530068 583685042 /nfs/dbraw/zinc/68/50/42/583685042.db2.gz BJXNGDHTPPQBKI-MRVPVSSYSA-N 1 2 214.338 1.426 20 0 BDADLO CCC/C(C)=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887819 588921497 /nfs/dbraw/zinc/92/14/97/588921497.db2.gz PAZNXWXDTFPRPH-UAWPZABVSA-N 1 2 233.315 1.670 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000895536823 583686891 /nfs/dbraw/zinc/68/68/91/583686891.db2.gz JOZBJAABASFTCO-LURQLKTLSA-N 1 2 234.303 1.524 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000895536823 583686893 /nfs/dbraw/zinc/68/68/93/583686893.db2.gz JOZBJAABASFTCO-LURQLKTLSA-N 1 2 234.303 1.524 20 0 BDADLO CCC/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857936392 588924526 /nfs/dbraw/zinc/92/45/26/588924526.db2.gz FQBSEQJGOKHDLB-DOGVGXBMSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1nocc1C(=O)NCCNc1cccc[nH+]1 ZINC000895608285 583695407 /nfs/dbraw/zinc/69/54/07/583695407.db2.gz IXFFSVXIZZOXSB-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO Cc1cc(N[C@@H]2CCCNC(=O)C2)c[nH+]c1C ZINC000895645035 583700397 /nfs/dbraw/zinc/70/03/97/583700397.db2.gz KYHPJWPEFFVECR-LLVKDONJSA-N 1 2 233.315 1.779 20 0 BDADLO FC(F)c1noc(C[NH2+]CC2=CCCOC2)n1 ZINC000895727153 583713451 /nfs/dbraw/zinc/71/34/51/583713451.db2.gz PSSJGROFDJPAAN-UHFFFAOYSA-N 1 2 245.229 1.444 20 0 BDADLO C[C@H]1[C@@H](Nc2nnc(C(F)F)o2)CC[N@@H+]1C ZINC000895737843 583718011 /nfs/dbraw/zinc/71/80/11/583718011.db2.gz ZFRQEQVYQDGSQF-WDSKDSINSA-N 1 2 232.234 1.512 20 0 BDADLO C[C@H]1[C@@H](Nc2nnc(C(F)F)o2)CC[N@H+]1C ZINC000895737843 583718014 /nfs/dbraw/zinc/71/80/14/583718014.db2.gz ZFRQEQVYQDGSQF-WDSKDSINSA-N 1 2 232.234 1.512 20 0 BDADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)CCO1 ZINC000895764657 583722605 /nfs/dbraw/zinc/72/26/05/583722605.db2.gz IYHXQMVVXMWRRQ-JTQLQIEISA-N 1 2 232.287 1.345 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1=COCCC1 ZINC000857943254 588924209 /nfs/dbraw/zinc/92/42/09/588924209.db2.gz DFNKHKPWLQZJLL-NSHDSACASA-N 1 2 247.298 1.008 20 0 BDADLO CCn1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)n1 ZINC000857870816 588917843 /nfs/dbraw/zinc/91/78/43/588917843.db2.gz ZGFTYCHBJPORSF-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO C/C(=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857944850 588924841 /nfs/dbraw/zinc/92/48/41/588924841.db2.gz AVEXJNZHPGIMAN-XTOZHPGHSA-N 1 2 245.326 1.670 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@H]1CC1(Cl)Cl ZINC000895808690 583729767 /nfs/dbraw/zinc/72/97/67/583729767.db2.gz RVJMRJUEIQTUDQ-RITPCOANSA-N 1 2 224.087 1.085 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000895802191 583730696 /nfs/dbraw/zinc/73/06/96/583730696.db2.gz OKTSSVYTAPUQCZ-JQWIXIFHSA-N 1 2 247.294 1.458 20 0 BDADLO C/C=C/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857965835 588925797 /nfs/dbraw/zinc/92/57/97/588925797.db2.gz ROSXZIXUNRDQHX-OIHBSNPPSA-N 1 2 231.299 1.446 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000895905070 583743002 /nfs/dbraw/zinc/74/30/02/583743002.db2.gz HVRSWPIFFRLLKF-NOZJJQNGSA-N 1 2 229.283 1.499 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857961822 588925911 /nfs/dbraw/zinc/92/59/11/588925911.db2.gz GPHVUIJCDHZBRV-INJWIWPUSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857976610 588926347 /nfs/dbraw/zinc/92/63/47/588926347.db2.gz HSSIJVCIUXXPBC-ONGXEEELSA-N 1 2 233.315 1.880 20 0 BDADLO CCO[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857976007 588926350 /nfs/dbraw/zinc/92/63/50/588926350.db2.gz VHELKVNSNIOJRE-ZYHUDNBSSA-N 1 2 249.314 1.259 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000895961541 583750958 /nfs/dbraw/zinc/75/09/58/583750958.db2.gz CBFBFUXJHJYSNY-NSHDSACASA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000895961541 583750960 /nfs/dbraw/zinc/75/09/60/583750960.db2.gz CBFBFUXJHJYSNY-NSHDSACASA-N 1 2 211.261 1.393 20 0 BDADLO CC(C)OC1CN(Cc2[nH+]ccn2C)C1 ZINC000895951685 583751586 /nfs/dbraw/zinc/75/15/86/583751586.db2.gz HXVIPIDTXAXTFF-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1ncccc1C[NH+]1CC(OC(C)C)C1 ZINC000895955924 583752457 /nfs/dbraw/zinc/75/24/57/583752457.db2.gz YXFYCDMFTWWJHV-UHFFFAOYSA-N 1 2 220.316 1.999 20 0 BDADLO O=C(CSC(F)F)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977728 588926584 /nfs/dbraw/zinc/92/65/84/588926584.db2.gz YQSYKVSHAPNMFP-ZCFIWIBFSA-N 1 2 247.270 1.400 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)O1 ZINC000857978149 588926653 /nfs/dbraw/zinc/92/66/53/588926653.db2.gz LHNGGVMDOYPOMB-BTQIBKBOSA-N 1 2 249.314 1.258 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000895969759 583755230 /nfs/dbraw/zinc/75/52/30/583755230.db2.gz PUVTYWQGZIXMPI-LLVKDONJSA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000895969759 583755231 /nfs/dbraw/zinc/75/52/31/583755231.db2.gz PUVTYWQGZIXMPI-LLVKDONJSA-N 1 2 211.261 1.393 20 0 BDADLO COCC1C[NH+](Cc2c(Cl)cnn2C)C1 ZINC000895971499 583756184 /nfs/dbraw/zinc/75/61/84/583756184.db2.gz REZFAAMWJDRXBZ-UHFFFAOYSA-N 1 2 229.711 1.152 20 0 BDADLO COCC1C[NH+](Cc2nn(C)c(C)c2Cl)C1 ZINC000895974221 583756994 /nfs/dbraw/zinc/75/69/94/583756994.db2.gz AWKGGHSLZCYKQL-UHFFFAOYSA-N 1 2 243.738 1.460 20 0 BDADLO CCc1[nH]nc(Cl)c1C[NH+]1CC(COC)C1 ZINC000895974587 583757182 /nfs/dbraw/zinc/75/71/82/583757182.db2.gz HXFZLLLIOSQNEP-UHFFFAOYSA-N 1 2 243.738 1.704 20 0 BDADLO C[NH+](C)C1(c2nc(CC3CC3)no2)CC1 ZINC000896009290 583761908 /nfs/dbraw/zinc/76/19/08/583761908.db2.gz KCOHANAFSPTJAN-UHFFFAOYSA-N 1 2 207.277 1.573 20 0 BDADLO CCOCC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857979085 588927538 /nfs/dbraw/zinc/92/75/38/588927538.db2.gz UHTYBDDUHPEDIZ-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(F)F)[C@H]1OC ZINC000896038795 583766259 /nfs/dbraw/zinc/76/62/59/583766259.db2.gz ZEEGJWSAPFCIKQ-JQCXWYLXSA-N 1 2 223.263 1.422 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)C(F)F)c(C)n1 ZINC000896038810 583766383 /nfs/dbraw/zinc/76/63/83/583766383.db2.gz ZOTZHTZICNWZMK-MRVPVSSYSA-N 1 2 217.263 1.955 20 0 BDADLO O=C(CCC(F)(F)F)N[C@H]1CCn2c[nH+]cc21 ZINC000857982485 588927747 /nfs/dbraw/zinc/92/77/47/588927747.db2.gz JFMHQXVTEBXGOI-ZETCQYMHSA-N 1 2 247.220 1.787 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857982987 588927754 /nfs/dbraw/zinc/92/77/54/588927754.db2.gz UOBPJCAZDRLRFM-OUAUKWLOSA-N 1 2 233.315 1.880 20 0 BDADLO Cc1nc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc[nH+]1 ZINC000896078943 583769511 /nfs/dbraw/zinc/76/95/11/583769511.db2.gz FSIQFWAWEVPGKY-TUAOUCFPSA-N 1 2 231.299 1.788 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983262 588928400 /nfs/dbraw/zinc/92/84/00/588928400.db2.gz YSIIJTJDHJRJIM-AXFHLTTASA-N 1 2 233.315 1.736 20 0 BDADLO C[C@@H]1CO[C@H](c2nc(Cc3c[nH+]cn3C)no2)C1 ZINC000896165515 583776521 /nfs/dbraw/zinc/77/65/21/583776521.db2.gz MYLHWEYVTMNVFD-WPRPVWTQSA-N 1 2 248.286 1.491 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(COC2CC2)n1 ZINC000896165912 583776563 /nfs/dbraw/zinc/77/65/63/583776563.db2.gz PTVXQIOPBLIJGI-UHFFFAOYSA-N 1 2 234.259 1.073 20 0 BDADLO C[NH+](C)C1(c2nc([C@]3(C)CCCO3)no2)CC1 ZINC000896175058 583778418 /nfs/dbraw/zinc/77/84/18/583778418.db2.gz KFZUGXNCPXFMHO-NSHDSACASA-N 1 2 237.303 1.646 20 0 BDADLO CCC[C@@H](O)CCNc1cc[nH+]c(C)n1 ZINC000896185769 583780136 /nfs/dbraw/zinc/78/01/36/583780136.db2.gz AAIZYZPRAINYDT-SNVBAGLBSA-N 1 2 209.293 1.748 20 0 BDADLO CCC[C@@H](O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000896181152 583780365 /nfs/dbraw/zinc/78/03/65/583780365.db2.gz BJUWPYMVDARRFI-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@@H](O)CCNc1cc(N(C)C)[nH+]cn1 ZINC000896181152 583780366 /nfs/dbraw/zinc/78/03/66/583780366.db2.gz BJUWPYMVDARRFI-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO O=C(/C=C/C1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983736 588928827 /nfs/dbraw/zinc/92/88/27/588928827.db2.gz DCEFGHRXLSAYIV-HMDXOVGESA-N 1 2 217.272 1.410 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983745 588928866 /nfs/dbraw/zinc/92/88/66/588928866.db2.gz DGBJPSPMBSCZHH-GXSJLCMTSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857983775 588928888 /nfs/dbraw/zinc/92/88/88/588928888.db2.gz UYZUGHMRCGLZOW-WCBMZHEXSA-N 1 2 219.288 1.490 20 0 BDADLO C/C(=C/C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986798 588929087 /nfs/dbraw/zinc/92/90/87/588929087.db2.gz XAQBSEWRQAOUJK-DHHDDZJSSA-N 1 2 231.299 1.800 20 0 BDADLO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986800 588929142 /nfs/dbraw/zinc/92/91/42/588929142.db2.gz XAQBSEWRQAOUJK-LAHYYIKRSA-N 1 2 231.299 1.800 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3cn[nH]c3C)C2)no1 ZINC000896238828 583785293 /nfs/dbraw/zinc/78/52/93/583785293.db2.gz GLYAHMRWSQFKJR-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cn[nH]c3C)C2)no1 ZINC000896238828 583785296 /nfs/dbraw/zinc/78/52/96/583785296.db2.gz GLYAHMRWSQFKJR-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccsc1 ZINC000857989099 588929205 /nfs/dbraw/zinc/92/92/05/588929205.db2.gz PEEGTVMMMOSAJH-VIFPVBQESA-N 1 2 233.296 1.819 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986835 588929262 /nfs/dbraw/zinc/92/92/62/588929262.db2.gz XEYCPZVVCRITPR-KOLCDFICSA-N 1 2 233.315 1.880 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccncc1O ZINC000896262765 583787626 /nfs/dbraw/zinc/78/76/26/583787626.db2.gz SXUPUJHDLUYLAA-SNVBAGLBSA-N 1 2 249.314 1.020 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccncc1O ZINC000896262765 583787627 /nfs/dbraw/zinc/78/76/27/583787627.db2.gz SXUPUJHDLUYLAA-SNVBAGLBSA-N 1 2 249.314 1.020 20 0 BDADLO Cc1cnc(F)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000896286359 583788974 /nfs/dbraw/zinc/78/89/74/583788974.db2.gz KFMKRLILTBXRQL-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO O=C1N[C@H](C2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000896312062 583790911 /nfs/dbraw/zinc/79/09/11/583790911.db2.gz ZMZITGWANBBZKA-NSHDSACASA-N 1 2 247.298 1.406 20 0 BDADLO Cn1c[nH+]cc1CN1CC(C(F)(F)F)C1 ZINC000857995831 588929632 /nfs/dbraw/zinc/92/96/32/588929632.db2.gz UCUYVDGFMUMKKE-UHFFFAOYSA-N 1 2 219.210 1.414 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)c1ccon1)CCN2 ZINC000857997017 588929679 /nfs/dbraw/zinc/92/96/79/588929679.db2.gz JENAHMJNZDHLOU-UHFFFAOYSA-N 1 2 244.254 1.450 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2CC23CCC3)c1 ZINC000896319398 583791766 /nfs/dbraw/zinc/79/17/66/583791766.db2.gz SLCFDUZIICNDDM-SNVBAGLBSA-N 1 2 234.303 1.162 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)o1 ZINC000857990610 588929810 /nfs/dbraw/zinc/92/98/10/588929810.db2.gz QAKBUGCBUNYNFL-VIFPVBQESA-N 1 2 231.255 1.659 20 0 BDADLO CCc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)[nH]n1 ZINC000857989421 588930185 /nfs/dbraw/zinc/93/01/85/588930185.db2.gz MWNADULAEGUYKQ-VIFPVBQESA-N 1 2 245.286 1.043 20 0 BDADLO Cc1nc(NCCO[C@@H]2CCOC2)cc[nH+]1 ZINC000896481081 583805613 /nfs/dbraw/zinc/80/56/13/583805613.db2.gz XIVIOKAKJWLXNW-SNVBAGLBSA-N 1 2 223.276 1.002 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C(C)(C)CO)CCN2 ZINC000857999053 588930712 /nfs/dbraw/zinc/93/07/12/588930712.db2.gz NDZRHXTULNPVQJ-UHFFFAOYSA-N 1 2 249.314 1.167 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2C[C@H](CO)C2)[nH+]1 ZINC000896694560 583824590 /nfs/dbraw/zinc/82/45/90/583824590.db2.gz BMECWQCIXUXHGZ-GUBZILKMSA-N 1 2 222.288 1.318 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000896800009 583834774 /nfs/dbraw/zinc/83/47/74/583834774.db2.gz FKNHPOYDFOLGMS-CHWSQXEVSA-N 1 2 248.326 1.943 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccnc(F)c2)n1 ZINC000858154574 588935786 /nfs/dbraw/zinc/93/57/86/588935786.db2.gz LVGVWAYTYRRUMB-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO C[C@@H](c1nc(Cc2cnsn2)no1)[NH+](C)C ZINC000896868781 583842384 /nfs/dbraw/zinc/84/23/84/583842384.db2.gz HYLHHGZOHLLZSH-LURJTMIESA-N 1 2 239.304 1.135 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccnc(F)c2)s1 ZINC000858157653 588936155 /nfs/dbraw/zinc/93/61/55/588936155.db2.gz KLJCJSOCPSKPLU-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO C[C@@H](c1nc(-c2cc[nH]c(=O)c2)no1)[NH+](C)C ZINC000896900102 583850232 /nfs/dbraw/zinc/85/02/32/583850232.db2.gz XGMDWSGVOISDFC-ZETCQYMHSA-N 1 2 234.259 1.460 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccnc(F)c2)[nH]1 ZINC000858170825 588936795 /nfs/dbraw/zinc/93/67/95/588936795.db2.gz QADYZHGHBVOUHH-UHFFFAOYSA-N 1 2 235.266 1.191 20 0 BDADLO CC(C)c1nnc(C[NH2+]Cc2ccnc(F)c2)[nH]1 ZINC000858171607 588936812 /nfs/dbraw/zinc/93/68/12/588936812.db2.gz RVIGLFSJKNOZDH-UHFFFAOYSA-N 1 2 249.293 1.752 20 0 BDADLO Cc1[nH]c(CNC(=O)Cc2ccncc2)[nH+]c1C ZINC000896919310 583856461 /nfs/dbraw/zinc/85/64/61/583856461.db2.gz NEHHMJYHKCMCIL-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)Cc1ccccc1F ZINC000896927013 583858839 /nfs/dbraw/zinc/85/88/39/583858839.db2.gz NZESMGOHRUIPPM-SECBINFHSA-N 1 2 240.278 1.024 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)CC(C)(C)C ZINC000896927619 583859232 /nfs/dbraw/zinc/85/92/32/583859232.db2.gz RTXNLJXSMKKWCX-QMMMGPOBSA-N 1 2 202.298 1.078 20 0 BDADLO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NOC ZINC000896927343 583859506 /nfs/dbraw/zinc/85/95/06/583859506.db2.gz QDDFCJAFMJGLIY-NXEZZACHSA-N 1 2 216.325 1.468 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+]CC(=O)NOC ZINC000896926363 583859722 /nfs/dbraw/zinc/85/97/22/583859722.db2.gz ITYQNPUSZLDCPT-UWVGGRQHSA-N 1 2 216.325 1.468 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CC=CCC2)[nH+]c1C ZINC000896930129 583860530 /nfs/dbraw/zinc/86/05/30/583860530.db2.gz SZAKNALRLGXFLW-LLVKDONJSA-N 1 2 233.315 1.999 20 0 BDADLO CCn1ncc(CNCc2[nH+]ccn2C(C)C)n1 ZINC000858206124 588938655 /nfs/dbraw/zinc/93/86/55/588938655.db2.gz IPCQETSAYLNDPL-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO Cc1cc(NCc2cnn(CCF)c2)nc[nH+]1 ZINC000896992177 583867119 /nfs/dbraw/zinc/86/71/19/583867119.db2.gz YYIHLADNFBXUOC-UHFFFAOYSA-N 1 2 235.266 1.563 20 0 BDADLO CCc1nc(N2CCC[C@@H]2C2OCCO2)cc[nH+]1 ZINC000897003825 583868859 /nfs/dbraw/zinc/86/88/59/583868859.db2.gz HKPOAQQFMUZYMV-SNVBAGLBSA-N 1 2 249.314 1.381 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000869455832 583878439 /nfs/dbraw/zinc/87/84/39/583878439.db2.gz JIGUYONEZXYXOG-MXQLGCADSA-N 1 2 246.301 1.656 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000869455832 583878440 /nfs/dbraw/zinc/87/84/40/583878440.db2.gz JIGUYONEZXYXOG-MXQLGCADSA-N 1 2 246.301 1.656 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CC23CC(O)C3)c1C ZINC000897086306 583878447 /nfs/dbraw/zinc/87/84/47/583878447.db2.gz CWFCLUMDAPBZRD-YZRBJQDESA-N 1 2 219.288 1.419 20 0 BDADLO c1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc(C2CC2)[nH+]1 ZINC000897077411 583878955 /nfs/dbraw/zinc/87/89/55/583878955.db2.gz DSONCFUOPHJNKH-OQEOFVATSA-N 1 2 243.310 1.942 20 0 BDADLO Cc1cc(N[C@H]2CC23CC(O)C3)nc(C2CC2)[nH+]1 ZINC000897090938 583879046 /nfs/dbraw/zinc/87/90/46/583879046.db2.gz BAPOYXBXUIVUKI-CVZZAPKMSA-N 1 2 245.326 1.988 20 0 BDADLO CCc1cc(NC2CC(CCO)C2)nc[nH+]1 ZINC000897234115 583898819 /nfs/dbraw/zinc/89/88/19/583898819.db2.gz KHFLRQZVTVDTID-UHFFFAOYSA-N 1 2 221.304 1.612 20 0 BDADLO COc1nn(C)cc1CNc1cccc[nH+]1 ZINC000897244808 583901814 /nfs/dbraw/zinc/90/18/14/583901814.db2.gz PBDKLDNPNKPNHI-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO O=c1cc(C=Cc2[nH]cc[nH+]2)nc(C2CC2)[nH]1 ZINC000840721987 583920716 /nfs/dbraw/zinc/92/07/16/583920716.db2.gz ZAMDGGVQXUKZIA-ONEGZZNKSA-N 1 2 228.255 1.953 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cocn1)C2 ZINC000897334429 583924654 /nfs/dbraw/zinc/92/46/54/583924654.db2.gz TYALGHOXFAKDDX-UHFFFAOYSA-N 1 2 232.287 1.449 20 0 BDADLO O[C@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1F ZINC000897379481 583946737 /nfs/dbraw/zinc/94/67/37/583946737.db2.gz IVOCBUFOLPIQBL-WPRPVWTQSA-N 1 2 214.215 1.130 20 0 BDADLO CCc1cc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)no1 ZINC000897414011 583960395 /nfs/dbraw/zinc/96/03/95/583960395.db2.gz OLOYNTNWIFYWNJ-VIFPVBQESA-N 1 2 248.286 1.841 20 0 BDADLO C/C=C/C=C/C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000729247789 583979403 /nfs/dbraw/zinc/97/94/03/583979403.db2.gz QLRYOMKJCGPHDW-MQQKCMAXSA-N 1 2 244.294 1.804 20 0 BDADLO CNc1cc(N[C@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897450224 583985336 /nfs/dbraw/zinc/98/53/36/583985336.db2.gz AFYWVJKNUODCEA-UWVGGRQHSA-N 1 2 234.303 1.355 20 0 BDADLO CNc1cc(N[C@H]2COC[C@H]2C2CC2)[nH+]cn1 ZINC000897450224 583985339 /nfs/dbraw/zinc/98/53/39/583985339.db2.gz AFYWVJKNUODCEA-UWVGGRQHSA-N 1 2 234.303 1.355 20 0 BDADLO CCC/C=C\C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000729357328 583995032 /nfs/dbraw/zinc/99/50/32/583995032.db2.gz IDNDSNVAFDUBCN-FOQNGQEVSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C\C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000729357328 583995035 /nfs/dbraw/zinc/99/50/35/583995035.db2.gz IDNDSNVAFDUBCN-FOQNGQEVSA-N 1 2 240.347 1.180 20 0 BDADLO CN(C)c1[nH+]cccc1CNc1nccnc1F ZINC000858348919 588947947 /nfs/dbraw/zinc/94/79/47/588947947.db2.gz LYCSMFMHRDGXJD-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO CC[C@@H](NC(=O)c1ccc(C=O)[nH]1)c1[nH]cc[nH+]1 ZINC000785420954 584007231 /nfs/dbraw/zinc/00/72/31/584007231.db2.gz HQMOOGJHGPFQNM-SECBINFHSA-N 1 2 246.270 1.431 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1O ZINC000897678784 584035978 /nfs/dbraw/zinc/03/59/78/584035978.db2.gz FDKDDUNAYFWEOI-XCBNKYQSSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1O ZINC000897678784 584035980 /nfs/dbraw/zinc/03/59/80/584035980.db2.gz FDKDDUNAYFWEOI-XCBNKYQSSA-N 1 2 245.244 1.917 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OC ZINC000897833878 584053047 /nfs/dbraw/zinc/05/30/47/584053047.db2.gz BJJKOYYHSJQSGX-LNFKQOIKSA-N 1 2 229.320 1.484 20 0 BDADLO Fc1nccnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000858438989 588955069 /nfs/dbraw/zinc/95/50/69/588955069.db2.gz IOZMFMAJWVKFNF-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO Fc1nccnc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000858438989 588955071 /nfs/dbraw/zinc/95/50/71/588955071.db2.gz IOZMFMAJWVKFNF-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO CC(C)Cn1nccc1C[NH2+]Cc1cn(C)cn1 ZINC000898043024 584080762 /nfs/dbraw/zinc/08/07/62/584080762.db2.gz BBOKONCNIHAENR-UHFFFAOYSA-N 1 2 247.346 1.562 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cnc(Cl)n2C)c1 ZINC000898043475 584081188 /nfs/dbraw/zinc/08/11/88/584081188.db2.gz QMPJRJOFKKNGKQ-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cn1c[nH+]c(CNCc2cn(C(C)(C)C)nn2)c1 ZINC000898043700 584081417 /nfs/dbraw/zinc/08/14/17/584081417.db2.gz YCKONAOFZHAVOQ-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO CCn1ncc(C[NH2+][C@@H]2CCCc3n[nH]cc32)n1 ZINC000858444572 588955222 /nfs/dbraw/zinc/95/52/22/588955222.db2.gz MWVKOXWSURBCEB-LLVKDONJSA-N 1 2 246.318 1.188 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC(Cc3ccoc3)C2)n1 ZINC000898160322 584087501 /nfs/dbraw/zinc/08/75/01/584087501.db2.gz ZJQWTCBAZSTSQB-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO OCCc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000898172345 584089185 /nfs/dbraw/zinc/08/91/85/584089185.db2.gz CTGRVDFUKUUTBO-UHFFFAOYSA-N 1 2 249.339 1.363 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898182845 584093161 /nfs/dbraw/zinc/09/31/61/584093161.db2.gz GRRSOYBLJIGRDB-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898182845 584093162 /nfs/dbraw/zinc/09/31/62/584093162.db2.gz GRRSOYBLJIGRDB-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898182841 584093473 /nfs/dbraw/zinc/09/34/73/584093473.db2.gz GRFXJMJABHEOGD-VHSXEESVSA-N 1 2 229.251 1.193 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898182841 584093474 /nfs/dbraw/zinc/09/34/74/584093474.db2.gz GRFXJMJABHEOGD-VHSXEESVSA-N 1 2 229.251 1.193 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c(C)o1 ZINC000898186774 584094064 /nfs/dbraw/zinc/09/40/64/584094064.db2.gz FNKIFVGCFUJNPO-RYUDHWBXSA-N 1 2 227.279 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c(C)o1 ZINC000898186774 584094065 /nfs/dbraw/zinc/09/40/65/584094065.db2.gz FNKIFVGCFUJNPO-RYUDHWBXSA-N 1 2 227.279 1.801 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187059 584094123 /nfs/dbraw/zinc/09/41/23/584094123.db2.gz CPNVXQXBRMTZKX-QWRGUYRKSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187059 584094124 /nfs/dbraw/zinc/09/41/24/584094124.db2.gz CPNVXQXBRMTZKX-QWRGUYRKSA-N 1 2 213.252 1.493 20 0 BDADLO CSc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898188139 584094273 /nfs/dbraw/zinc/09/42/73/584094273.db2.gz KNIMPZBYJQWLPB-UWVGGRQHSA-N 1 2 245.319 1.906 20 0 BDADLO CSc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898188139 584094275 /nfs/dbraw/zinc/09/42/75/584094275.db2.gz KNIMPZBYJQWLPB-UWVGGRQHSA-N 1 2 245.319 1.906 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)sn1 ZINC000898189372 584095174 /nfs/dbraw/zinc/09/51/74/584095174.db2.gz ZQEFPRFHHVKKQJ-UWVGGRQHSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)sn1 ZINC000898189372 584095177 /nfs/dbraw/zinc/09/51/77/584095177.db2.gz ZQEFPRFHHVKKQJ-UWVGGRQHSA-N 1 2 230.308 1.356 20 0 BDADLO C[C@@H]([NH2+]CC[C@H](O)C1CC1)C(=O)OC(C)(C)C ZINC000898198536 584098231 /nfs/dbraw/zinc/09/82/31/584098231.db2.gz DTFOQXBVSZENEJ-KOLCDFICSA-N 1 2 243.347 1.467 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000898252359 584101322 /nfs/dbraw/zinc/10/13/22/584101322.db2.gz BPFLBNACOHKDLH-ZMLRMANQSA-N 1 2 248.330 1.408 20 0 BDADLO COC(=O)c1cnc(C[NH2+]C/C=C/Cl)s1 ZINC000898424281 584132580 /nfs/dbraw/zinc/13/25/80/584132580.db2.gz DITHOWMUAJKEEA-NSCUHMNNSA-N 1 2 246.719 1.772 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000858499965 588960513 /nfs/dbraw/zinc/96/05/13/588960513.db2.gz RSESSPYGLOZILD-HRDYMLBCSA-N 1 2 220.276 1.036 20 0 BDADLO CCCN(C(=O)NCc1cn(C)c[nH+]1)C(C)C ZINC000898615584 584147044 /nfs/dbraw/zinc/14/70/44/584147044.db2.gz JGUFWBHATZXHLT-UHFFFAOYSA-N 1 2 238.335 1.750 20 0 BDADLO C[C@@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)[C@@H]1C ZINC000898626217 584147856 /nfs/dbraw/zinc/14/78/56/584147856.db2.gz CWMQVDMUFSHCQT-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCCC3(CC3)C2)c1 ZINC000898620407 584147885 /nfs/dbraw/zinc/14/78/85/584147885.db2.gz MJCZNFJRIBESMT-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO C[C@@H]1CCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898626646 584147955 /nfs/dbraw/zinc/14/79/55/584147955.db2.gz DQXNXFVJESVMRM-SECBINFHSA-N 1 2 222.292 1.114 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H]2C=CCC2)c[nH+]1 ZINC000898669945 584148433 /nfs/dbraw/zinc/14/84/33/584148433.db2.gz TYVVRLQEBURLSR-NSHDSACASA-N 1 2 233.315 1.761 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)[C@@H](C)O1 ZINC000898810023 584160034 /nfs/dbraw/zinc/16/00/34/584160034.db2.gz HALSNTGJUMSRDQ-ZNSHCXBVSA-N 1 2 249.314 1.258 20 0 BDADLO CCC(CC)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884461 584163923 /nfs/dbraw/zinc/16/39/23/584163923.db2.gz RIEIPLSMLOEHMR-JTQLQIEISA-N 1 2 239.319 1.006 20 0 BDADLO CCCCCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883544 584164248 /nfs/dbraw/zinc/16/42/48/584164248.db2.gz LDIMRVGVKJYEGC-SNVBAGLBSA-N 1 2 239.319 1.150 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899199073 584180305 /nfs/dbraw/zinc/18/03/05/584180305.db2.gz FPZKNIWPRKTUGW-GMTAPVOTSA-N 1 2 231.299 1.596 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899199073 584180306 /nfs/dbraw/zinc/18/03/06/584180306.db2.gz FPZKNIWPRKTUGW-GMTAPVOTSA-N 1 2 231.299 1.596 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000899408239 584213441 /nfs/dbraw/zinc/21/34/41/584213441.db2.gz YHIXSCOLYAHFHC-URBCHYCLSA-N 1 2 247.342 1.371 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000899811554 584238974 /nfs/dbraw/zinc/23/89/74/584238974.db2.gz NOIUFJUNOXOYRK-SNVBAGLBSA-N 1 2 239.294 1.264 20 0 BDADLO CCn1cc(C[N@@H+]2CCCc3occc3C2)nn1 ZINC000899871466 584244239 /nfs/dbraw/zinc/24/42/39/584244239.db2.gz NIYBRJBGSQGRMV-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CCn1cc(C[N@H+]2CCCc3occc3C2)nn1 ZINC000899871466 584244240 /nfs/dbraw/zinc/24/42/40/584244240.db2.gz NIYBRJBGSQGRMV-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO CC(C)n1nccc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900012779 584263686 /nfs/dbraw/zinc/26/36/86/584263686.db2.gz LCAWLDROUPSMHZ-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO CC(C)n1nccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900012779 584263688 /nfs/dbraw/zinc/26/36/88/584263688.db2.gz LCAWLDROUPSMHZ-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900078138 584270340 /nfs/dbraw/zinc/27/03/40/584270340.db2.gz WVBKVEZWYIUYSC-MRVPVSSYSA-N 1 2 207.277 1.209 20 0 BDADLO CN(C(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900170472 584282289 /nfs/dbraw/zinc/28/22/89/584282289.db2.gz KHYHRSHCNMVKON-UHFFFAOYSA-N 1 2 205.261 1.114 20 0 BDADLO CCC[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900193942 584284984 /nfs/dbraw/zinc/28/49/84/584284984.db2.gz VFQFVZVAASQFSO-VIFPVBQESA-N 1 2 209.293 1.599 20 0 BDADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCF ZINC000900338936 584294088 /nfs/dbraw/zinc/29/40/88/584294088.db2.gz BXWILGFVBGPQGG-JTQLQIEISA-N 1 2 241.310 1.774 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)CCF ZINC000900322512 584294754 /nfs/dbraw/zinc/29/47/54/584294754.db2.gz KFHLDRVJIKCCGG-UHFFFAOYSA-N 1 2 211.240 1.446 20 0 BDADLO COc1ccc(N(C)C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000900387305 584296218 /nfs/dbraw/zinc/29/62/18/584296218.db2.gz VPSBZFXLUSAOBL-UHFFFAOYSA-N 1 2 246.270 1.019 20 0 BDADLO COc1ccc(N(C)C(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000900387305 584296220 /nfs/dbraw/zinc/29/62/20/584296220.db2.gz VPSBZFXLUSAOBL-UHFFFAOYSA-N 1 2 246.270 1.019 20 0 BDADLO CCC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900482822 584316175 /nfs/dbraw/zinc/31/61/75/584316175.db2.gz HSKYATAMQJGJTQ-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO c1c[nH+]c(Cn2cc(C3CCC3)nn2)[nH]1 ZINC000900489246 584317109 /nfs/dbraw/zinc/31/71/09/584317109.db2.gz WBXYNXIBZFYUGD-UHFFFAOYSA-N 1 2 203.249 1.317 20 0 BDADLO Cc1cc(Cn2cc(COC(N)=O)nn2)cc[nH+]1 ZINC000900554438 584322392 /nfs/dbraw/zinc/32/23/92/584322392.db2.gz WYBWMKHWEGBEFY-UHFFFAOYSA-N 1 2 247.258 1.039 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H]1C1CC1 ZINC000900562168 584325088 /nfs/dbraw/zinc/32/50/88/584325088.db2.gz QGCYLOXHVIOJHH-GFCCVEGCSA-N 1 2 245.326 1.895 20 0 BDADLO COC(=O)C1=CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000858691642 588974835 /nfs/dbraw/zinc/97/48/35/588974835.db2.gz IDLSBZUJOFFDOG-SNVBAGLBSA-N 1 2 233.271 1.459 20 0 BDADLO C/C(Cl)=C\C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900629929 584333317 /nfs/dbraw/zinc/33/33/17/584333317.db2.gz PDWOKCLBLISPBP-FNORWQNLSA-N 1 2 213.668 1.511 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646526 584335313 /nfs/dbraw/zinc/33/53/13/584335313.db2.gz FDYKSKSNZWPHIV-UHFFFAOYSA-N 1 2 237.303 1.074 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCc1[nH]cc[nH+]1 ZINC000900666994 584337663 /nfs/dbraw/zinc/33/76/63/584337663.db2.gz YEOAQSVXPJPLTR-UHFFFAOYSA-N 1 2 223.276 1.031 20 0 BDADLO CC[C@H](O)[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900670873 584339397 /nfs/dbraw/zinc/33/93/97/584339397.db2.gz IMNHKEOHQHFDQR-ONGXEEELSA-N 1 2 247.298 1.680 20 0 BDADLO CC[C@@H](O)[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900670867 584339725 /nfs/dbraw/zinc/33/97/25/584339725.db2.gz IMNHKEOHQHFDQR-GXSJLCMTSA-N 1 2 247.298 1.680 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900672630 584339733 /nfs/dbraw/zinc/33/97/33/584339733.db2.gz OSIJAJFCNUXVJS-BTDICHCPSA-N 1 2 234.299 1.468 20 0 BDADLO C/C(=C(/F)C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000900716230 584344341 /nfs/dbraw/zinc/34/43/41/584344341.db2.gz GDBXQZVSHKOQBI-XFXZXTDPSA-N 1 2 249.289 1.920 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900798020 584353248 /nfs/dbraw/zinc/35/32/48/584353248.db2.gz YNFPWYVKZAXARF-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000900839370 584355496 /nfs/dbraw/zinc/35/54/96/584355496.db2.gz FZIITVIVJDYVEZ-MNOVXSKESA-N 1 2 249.314 1.035 20 0 BDADLO CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000900894351 584361583 /nfs/dbraw/zinc/36/15/83/584361583.db2.gz UNHGTJFQXOOVGN-SNVBAGLBSA-N 1 2 239.344 1.306 20 0 BDADLO C/C(Cl)=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001568 584373274 /nfs/dbraw/zinc/37/32/74/584373274.db2.gz XCCWCMLHNDNFQP-XQRVVYSFSA-N 1 2 227.695 1.785 20 0 BDADLO CC(Cl)=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001568 584373275 /nfs/dbraw/zinc/37/32/75/584373275.db2.gz XCCWCMLHNDNFQP-XQRVVYSFSA-N 1 2 227.695 1.785 20 0 BDADLO COC/C(C)=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001310 584373279 /nfs/dbraw/zinc/37/32/79/584373279.db2.gz UBKSKSXKWIINJU-YVMONPNESA-N 1 2 237.303 1.235 20 0 BDADLO COCC(C)=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001310 584373280 /nfs/dbraw/zinc/37/32/80/584373280.db2.gz UBKSKSXKWIINJU-YVMONPNESA-N 1 2 237.303 1.235 20 0 BDADLO CC[C@@H](O)[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001597 584373637 /nfs/dbraw/zinc/37/36/37/584373637.db2.gz YCEDYQYMAOBCOX-OIBJUYFYSA-N 1 2 239.319 1.050 20 0 BDADLO Cc1[nH]c(CNC(=O)C2=CCCC2)[nH+]c1C ZINC000900999106 584375327 /nfs/dbraw/zinc/37/53/27/584375327.db2.gz XIPGAPNRSVNMBR-UHFFFAOYSA-N 1 2 219.288 1.753 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCOC2(CCC2)C1 ZINC000901120621 584386870 /nfs/dbraw/zinc/38/68/70/584386870.db2.gz DYYGYMYBATWWRT-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCOC2(CCC2)C1 ZINC000901120621 584386872 /nfs/dbraw/zinc/38/68/72/584386872.db2.gz DYYGYMYBATWWRT-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC(C(F)F)C1 ZINC000901103657 584388411 /nfs/dbraw/zinc/38/84/11/584388411.db2.gz XWQJGROHLSDRAD-UHFFFAOYSA-N 1 2 241.241 1.217 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901147753 584390836 /nfs/dbraw/zinc/39/08/36/584390836.db2.gz JPDXZPIAKKRTRC-IPWDFOCMSA-N 1 2 239.706 1.526 20 0 BDADLO CC(Cl)=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000901147753 584390838 /nfs/dbraw/zinc/39/08/38/584390838.db2.gz JPDXZPIAKKRTRC-IPWDFOCMSA-N 1 2 239.706 1.526 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC1(C2CC2)CC1 ZINC000901185564 584393302 /nfs/dbraw/zinc/39/33/02/584393302.db2.gz HJSDSOIUGKYKKN-UHFFFAOYSA-N 1 2 245.326 1.800 20 0 BDADLO CCC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC000901251775 584409750 /nfs/dbraw/zinc/40/97/50/584409750.db2.gz UAMBIPSHHGDUHX-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO CCC1(NC(=O)Cc2c[nH+]c[nH]2)CCOCC1 ZINC000901251775 584409752 /nfs/dbraw/zinc/40/97/52/584409752.db2.gz UAMBIPSHHGDUHX-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC000901275146 584412652 /nfs/dbraw/zinc/41/26/52/584412652.db2.gz FDQXGSFJGMPAQB-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CC[C@@H]1C ZINC000901275836 584412831 /nfs/dbraw/zinc/41/28/31/584412831.db2.gz NFQSGQVTZFJETM-RYUDHWBXSA-N 1 2 247.342 1.998 20 0 BDADLO CCC(=O)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901261701 584417197 /nfs/dbraw/zinc/41/71/97/584417197.db2.gz UVDIBJJDKVQGNU-LLVKDONJSA-N 1 2 249.314 1.312 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CC[C@@H](C(=O)[O-])C2)c[nH+]1 ZINC000901489203 584452294 /nfs/dbraw/zinc/45/22/94/584452294.db2.gz HDXXCHVCRFGYNE-CYBMUJFWSA-N 1 2 248.326 1.729 20 0 BDADLO Cc1ccc(CCC[N@H+]2CC[C@@H](C(=O)[O-])C2)c[nH+]1 ZINC000901489203 584452296 /nfs/dbraw/zinc/45/22/96/584452296.db2.gz HDXXCHVCRFGYNE-CYBMUJFWSA-N 1 2 248.326 1.729 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1)CN1CCOC1=O ZINC000902034363 584518849 /nfs/dbraw/zinc/51/88/49/584518849.db2.gz MRPJVRDGNDLDOF-UHFFFAOYSA-N 1 2 238.262 1.667 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1)CN1CCOC1=O ZINC000902034363 584518850 /nfs/dbraw/zinc/51/88/50/584518850.db2.gz MRPJVRDGNDLDOF-UHFFFAOYSA-N 1 2 238.262 1.667 20 0 BDADLO COCC[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902079760 584520852 /nfs/dbraw/zinc/52/08/52/584520852.db2.gz XOSLWLLCTKXCFV-UHFFFAOYSA-N 1 2 234.299 1.178 20 0 BDADLO COCC[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902079760 584520854 /nfs/dbraw/zinc/52/08/54/584520854.db2.gz XOSLWLLCTKXCFV-UHFFFAOYSA-N 1 2 234.299 1.178 20 0 BDADLO Cc1nc(NCc2cnc(Cl)n2C)cc[nH+]1 ZINC000902125333 584529350 /nfs/dbraw/zinc/52/93/50/584529350.db2.gz QFSLYSFIUOKNIQ-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO C[C@H]1C[N@H+](CN2CCOC2=O)CCC1(F)F ZINC000902276777 584550789 /nfs/dbraw/zinc/55/07/89/584550789.db2.gz ZGRGVMQAWQRUQB-QMMMGPOBSA-N 1 2 234.246 1.373 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCOC2=O)CCC1(F)F ZINC000902276777 584550791 /nfs/dbraw/zinc/55/07/91/584550791.db2.gz ZGRGVMQAWQRUQB-QMMMGPOBSA-N 1 2 234.246 1.373 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCOC[C@@H]2C)c(C)[nH+]1 ZINC000902345573 584558138 /nfs/dbraw/zinc/55/81/38/584558138.db2.gz FGGZSNDHFWTZNB-NSHDSACASA-N 1 2 248.326 1.868 20 0 BDADLO CCn1cc(OCc2ccc(N(C)C)[nH+]c2)cn1 ZINC000902361396 584572135 /nfs/dbraw/zinc/57/21/35/584572135.db2.gz YBYYOFNNEAJHRI-UHFFFAOYSA-N 1 2 246.314 1.943 20 0 BDADLO NC(=[NH+]OC1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000902380522 584576309 /nfs/dbraw/zinc/57/63/09/584576309.db2.gz HNMCIKAFYGNVQR-SNVBAGLBSA-N 1 2 224.304 1.997 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(F)c2)[C@@H](C)CO1 ZINC000859059726 588995220 /nfs/dbraw/zinc/99/52/20/588995220.db2.gz JJYQPMCSLSXSIH-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(F)c2)[C@@H](C)CO1 ZINC000859059726 588995222 /nfs/dbraw/zinc/99/52/22/588995222.db2.gz JJYQPMCSLSXSIH-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO BrC1(COCc2[nH]cc[nH+]2)CC1 ZINC000902399943 584586609 /nfs/dbraw/zinc/58/66/09/584586609.db2.gz IYDDTGZPYWFJKC-UHFFFAOYSA-N 1 2 231.093 1.854 20 0 BDADLO C[C@H]([NH2+]Cc1csc(N)n1)c1cccnc1 ZINC000902490422 584617740 /nfs/dbraw/zinc/61/77/40/584617740.db2.gz NPNNCIVNHDHUDC-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO CNc1ccccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000902517343 584629998 /nfs/dbraw/zinc/62/99/98/584629998.db2.gz KFTZGXVZGYESLJ-SNVBAGLBSA-N 1 2 245.330 1.708 20 0 BDADLO COC1(C(N)=[NH+]OCCOC2CC2)CCCC1 ZINC000902599082 584640589 /nfs/dbraw/zinc/64/05/89/584640589.db2.gz XDYCMOVOXHRVEI-UHFFFAOYSA-N 1 2 242.319 1.623 20 0 BDADLO CCn1c[nH+]c(CNc2cncc(N(C)C)c2)c1 ZINC000902629220 584646332 /nfs/dbraw/zinc/64/63/32/584646332.db2.gz QMYUBUBVUWJYFP-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ccnc(F)c2)c1 ZINC000902631827 584646842 /nfs/dbraw/zinc/64/68/42/584646842.db2.gz JMUZLMSSPULJSE-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@@H]3CNC(=O)C3)ccc21 ZINC000902781264 584670424 /nfs/dbraw/zinc/67/04/24/584670424.db2.gz LQDXMVSQHCBFGW-VIFPVBQESA-N 1 2 245.282 1.088 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)OC2COC2)c2[nH+]ccn21 ZINC000902943864 584696353 /nfs/dbraw/zinc/69/63/53/584696353.db2.gz WATKZDMZBFVWLM-APPZFPTMSA-N 1 2 237.259 1.014 20 0 BDADLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](F)C1 ZINC000902997083 584714431 /nfs/dbraw/zinc/71/44/31/584714431.db2.gz PYGPARFMPAXHEP-NWDGAFQWSA-N 1 2 236.290 1.647 20 0 BDADLO NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](F)C1 ZINC000902997083 584714432 /nfs/dbraw/zinc/71/44/32/584714432.db2.gz PYGPARFMPAXHEP-NWDGAFQWSA-N 1 2 236.290 1.647 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](F)C1)NCC1CCC1 ZINC000902998260 584714920 /nfs/dbraw/zinc/71/49/20/584714920.db2.gz JHACHOUBRIGPSE-NSHDSACASA-N 1 2 228.311 1.337 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](F)C1)NCC1CCC1 ZINC000902998260 584714922 /nfs/dbraw/zinc/71/49/22/584714922.db2.gz JHACHOUBRIGPSE-NSHDSACASA-N 1 2 228.311 1.337 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000738 584715373 /nfs/dbraw/zinc/71/53/73/584715373.db2.gz IKDUXPDUVOAHTQ-QWRGUYRKSA-N 1 2 230.327 1.725 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000738 584715374 /nfs/dbraw/zinc/71/53/74/584715374.db2.gz IKDUXPDUVOAHTQ-QWRGUYRKSA-N 1 2 230.327 1.725 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000652 584715639 /nfs/dbraw/zinc/71/56/39/584715639.db2.gz ICWFFYUCFWIFIC-NEPJUHHUSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000652 584715640 /nfs/dbraw/zinc/71/56/40/584715640.db2.gz ICWFFYUCFWIFIC-NEPJUHHUSA-N 1 2 244.354 1.971 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001109 584715683 /nfs/dbraw/zinc/71/56/83/584715683.db2.gz KBWULKKGCBDGCT-WDEREUQCSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](F)C1 ZINC000903001109 584715684 /nfs/dbraw/zinc/71/56/84/584715684.db2.gz KBWULKKGCBDGCT-WDEREUQCSA-N 1 2 242.338 1.868 20 0 BDADLO COc1ccnc([C@@H](C)[NH2+]Cc2cn(C)cn2)c1 ZINC000903351596 584755282 /nfs/dbraw/zinc/75/52/82/584755282.db2.gz MUBQJLVTKRULMU-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO Cc1cccc2[nH+]c(CN3CC=CCN3)cn21 ZINC000903489400 584780576 /nfs/dbraw/zinc/78/05/76/584780576.db2.gz RGENARDHYWRPIF-UHFFFAOYSA-N 1 2 228.299 1.519 20 0 BDADLO CC[C@@](C)(O)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000904106693 584841194 /nfs/dbraw/zinc/84/11/94/584841194.db2.gz RHOFHZPIGOQLRB-CYBMUJFWSA-N 1 2 247.298 1.981 20 0 BDADLO C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000904214029 584855650 /nfs/dbraw/zinc/85/56/50/584855650.db2.gz QLOJDNJZTWVVKJ-SECBINFHSA-N 1 2 247.298 1.558 20 0 BDADLO CO[C@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904271877 584858562 /nfs/dbraw/zinc/85/85/62/584858562.db2.gz DENLFPIRLKFJBS-SSDOTTSWSA-N 1 2 234.259 1.730 20 0 BDADLO CCCOCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272060 584858631 /nfs/dbraw/zinc/85/86/31/584858631.db2.gz IZXRNLGGEOUFRH-UHFFFAOYSA-N 1 2 248.286 1.949 20 0 BDADLO COCCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904258271 584859220 /nfs/dbraw/zinc/85/92/20/584859220.db2.gz JXQYPKNVKDYVMK-UHFFFAOYSA-N 1 2 248.286 1.601 20 0 BDADLO COCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257239 584859516 /nfs/dbraw/zinc/85/95/16/584859516.db2.gz SKTBFXYMXMKBOB-UHFFFAOYSA-N 1 2 220.232 1.169 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)OCCF ZINC000859176051 589014335 /nfs/dbraw/zinc/01/43/35/589014335.db2.gz QAXNHHRADIJUPO-UHFFFAOYSA-N 1 2 215.228 1.099 20 0 BDADLO CCn1nc(C[NH2+][C@@H]2CNOC2)c2ccccc21 ZINC000904424613 584881269 /nfs/dbraw/zinc/88/12/69/584881269.db2.gz WAJOLCJAICQXIZ-SNVBAGLBSA-N 1 2 246.314 1.049 20 0 BDADLO CC(C)(C)c1nc(C[NH2+][C@@H]2CNOC2)cs1 ZINC000904421996 584882509 /nfs/dbraw/zinc/88/25/09/584882509.db2.gz XFGQHYHQAITFRJ-MRVPVSSYSA-N 1 2 241.360 1.434 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000830468573 584908369 /nfs/dbraw/zinc/90/83/69/584908369.db2.gz KHFHFXIGSXVADG-ZJUUUORDSA-N 1 2 239.319 1.777 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000830468573 584908370 /nfs/dbraw/zinc/90/83/70/584908370.db2.gz KHFHFXIGSXVADG-ZJUUUORDSA-N 1 2 239.319 1.777 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000730379569 584910214 /nfs/dbraw/zinc/91/02/14/584910214.db2.gz SKWSTMHBBKQOHU-RQJHMYQMSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000730379569 584910215 /nfs/dbraw/zinc/91/02/15/584910215.db2.gz SKWSTMHBBKQOHU-RQJHMYQMSA-N 1 2 237.130 1.001 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCS[C@H](C)C2)c[nH+]1 ZINC000834669751 584914434 /nfs/dbraw/zinc/91/44/34/584914434.db2.gz CHOPDQVJDNLWOD-VXNVDRBHSA-N 1 2 239.344 1.732 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CCN1CCOC1=O ZINC000731104167 584922407 /nfs/dbraw/zinc/92/24/07/584922407.db2.gz DSMOTIJRMSXNAM-NSHDSACASA-N 1 2 249.314 1.317 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CCN1CCOC1=O ZINC000731104167 584922408 /nfs/dbraw/zinc/92/24/08/584922408.db2.gz DSMOTIJRMSXNAM-NSHDSACASA-N 1 2 249.314 1.317 20 0 BDADLO COC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000732092608 584933776 /nfs/dbraw/zinc/93/37/76/584933776.db2.gz KLEZHLXHKWXILW-UHFFFAOYSA-N 1 2 219.244 1.499 20 0 BDADLO O=C(OCCCCO)c1ccc2[nH+]ccn2c1 ZINC000733494220 584950100 /nfs/dbraw/zinc/95/01/00/584950100.db2.gz NVNGNOBKWOUABC-UHFFFAOYSA-N 1 2 234.255 1.264 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000821261726 585015668 /nfs/dbraw/zinc/01/56/68/585015668.db2.gz ROMOZYAUNFUQOW-MFKMUULPSA-N 1 2 218.300 1.965 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000821261726 585015669 /nfs/dbraw/zinc/01/56/69/585015669.db2.gz ROMOZYAUNFUQOW-MFKMUULPSA-N 1 2 218.300 1.965 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@H]2C2CCCC2)c1 ZINC000890103662 585023406 /nfs/dbraw/zinc/02/34/06/585023406.db2.gz AYQYYVJFEKVSIL-STQMWFEESA-N 1 2 247.342 1.863 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890105090 585023551 /nfs/dbraw/zinc/02/35/51/585023551.db2.gz WNAZYFZAWHCMBS-PWSUYJOCSA-N 1 2 235.331 1.863 20 0 BDADLO C/C=C(/C=C/C(=O)NCc1cn(C)c[nH+]1)CC ZINC000890109742 585023819 /nfs/dbraw/zinc/02/38/19/585023819.db2.gz FVBKPABYWBOCNL-HNGDNPSASA-N 1 2 233.315 1.949 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C=C2CCC2)c1 ZINC000890110832 585023975 /nfs/dbraw/zinc/02/39/75/585023975.db2.gz WNKKHVNYBIATHU-UHFFFAOYSA-N 1 2 205.261 1.147 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CC=CCC1 ZINC000788083301 585030476 /nfs/dbraw/zinc/03/04/76/585030476.db2.gz JXACPLKHVDREFV-NEPJUHHUSA-N 1 2 241.306 1.930 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CC=CCC1 ZINC000788083301 585030477 /nfs/dbraw/zinc/03/04/77/585030477.db2.gz JXACPLKHVDREFV-NEPJUHHUSA-N 1 2 241.306 1.930 20 0 BDADLO CCc1cc(N2C[C@@H](C)OC[C@@H]2C)nc(C)[nH+]1 ZINC000180426809 585032990 /nfs/dbraw/zinc/03/29/90/585032990.db2.gz UTLLXJWBAMBREJ-VHSXEESVSA-N 1 2 235.331 1.961 20 0 BDADLO C/C=C\C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000737832309 585038714 /nfs/dbraw/zinc/03/87/14/585038714.db2.gz LWNZWMYDOURXBM-IHWYPQMZSA-N 1 2 218.256 1.247 20 0 BDADLO CC/C(C)=C/C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000838044148 585043546 /nfs/dbraw/zinc/04/35/46/585043546.db2.gz NAUAKHMHQMFVHW-LMMOQWNQSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C(C)=C/C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000838044148 585043547 /nfs/dbraw/zinc/04/35/47/585043547.db2.gz NAUAKHMHQMFVHW-LMMOQWNQSA-N 1 2 241.331 1.607 20 0 BDADLO CCn1ncc(C[NH+]2C[C@H](C)S[C@@H](C)C2)n1 ZINC000838805239 585069472 /nfs/dbraw/zinc/06/94/72/585069472.db2.gz ACCHRVYLJPJEAT-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO O[C@H](C[N@@H+]1CCOC[C@H]1c1ccco1)C1CC1 ZINC000838847758 585074882 /nfs/dbraw/zinc/07/48/82/585074882.db2.gz BXYWUKBWGRRFPU-NWDGAFQWSA-N 1 2 237.299 1.424 20 0 BDADLO O[C@H](C[N@H+]1CCOC[C@H]1c1ccco1)C1CC1 ZINC000838847758 585074883 /nfs/dbraw/zinc/07/48/83/585074883.db2.gz BXYWUKBWGRRFPU-NWDGAFQWSA-N 1 2 237.299 1.424 20 0 BDADLO O=C(CC1CC1)OCC1CN(c2cccc[nH+]2)C1 ZINC000842892272 585075136 /nfs/dbraw/zinc/07/51/36/585075136.db2.gz ABJTZCYIVPKXDQ-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO O=C(CC[N@H+]1CCC[C@H]1C(F)F)N1CCCC1 ZINC000838905303 585077466 /nfs/dbraw/zinc/07/74/66/585077466.db2.gz BUGZSASUDWIYSP-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO O=C(CC[N@@H+]1CCC[C@H]1C(F)F)N1CCCC1 ZINC000838905303 585077467 /nfs/dbraw/zinc/07/74/67/585077467.db2.gz BUGZSASUDWIYSP-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccoc2C)n1 ZINC000838910337 585077811 /nfs/dbraw/zinc/07/78/11/585077811.db2.gz UDFZLGKMSXBBDA-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1ncc(CNc2ccc[nH+]c2C)n1 ZINC000838981712 585084457 /nfs/dbraw/zinc/08/44/57/585084457.db2.gz ZQVUGURULGJQLZ-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO COC[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000739918371 585085767 /nfs/dbraw/zinc/08/57/67/585085767.db2.gz FNXCNJFJQVGVET-SSDOTTSWSA-N 1 2 229.217 1.855 20 0 BDADLO COC[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000739918371 585085768 /nfs/dbraw/zinc/08/57/68/585085768.db2.gz FNXCNJFJQVGVET-SSDOTTSWSA-N 1 2 229.217 1.855 20 0 BDADLO CCn1ncc(C[N@H+](C)C(C)(C)COC)n1 ZINC000839112032 585091663 /nfs/dbraw/zinc/09/16/63/585091663.db2.gz IZYKRLKPJWKESD-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncc(C[N@@H+](C)C(C)(C)COC)n1 ZINC000839112032 585091664 /nfs/dbraw/zinc/09/16/64/585091664.db2.gz IZYKRLKPJWKESD-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO CCc1nocc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839133485 585093975 /nfs/dbraw/zinc/09/39/75/585093975.db2.gz PPPRLBKUXCKHQI-UHFFFAOYSA-N 1 2 224.304 1.440 20 0 BDADLO Cc1ccoc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839133348 585093994 /nfs/dbraw/zinc/09/39/94/585093994.db2.gz PHXFPOXINMTZKU-UHFFFAOYSA-N 1 2 209.289 1.791 20 0 BDADLO FC(F)COC1C[NH+](C[C@@H]2CCC=CO2)C1 ZINC000839138513 585094300 /nfs/dbraw/zinc/09/43/00/585094300.db2.gz QSMXRPKIUIWGFA-VIFPVBQESA-N 1 2 233.258 1.645 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC3(CC(F)C3)C2)n1 ZINC000839139432 585094419 /nfs/dbraw/zinc/09/44/19/585094419.db2.gz GOVNDWHEFBCORG-UHFFFAOYSA-N 1 2 238.310 1.540 20 0 BDADLO CCn1ncc(C[NH+]2CC(C(C)(C)C)C2)n1 ZINC000839143573 585094739 /nfs/dbraw/zinc/09/47/39/585094739.db2.gz AHAWMWQMZDDMAG-UHFFFAOYSA-N 1 2 222.336 1.776 20 0 BDADLO CCC[C@H]([NH2+]CC(=O)NOC)C1CCC1 ZINC000839200793 585099331 /nfs/dbraw/zinc/09/93/31/585099331.db2.gz XHVAJPFPQATOQS-JTQLQIEISA-N 1 2 214.309 1.222 20 0 BDADLO CCCS(=O)(=O)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201213 585099431 /nfs/dbraw/zinc/09/94/31/585099431.db2.gz GPAPKAXDWMTSMD-UWVGGRQHSA-N 1 2 249.401 1.001 20 0 BDADLO CCCS(=O)(=O)CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201213 585099432 /nfs/dbraw/zinc/09/94/32/585099432.db2.gz GPAPKAXDWMTSMD-UWVGGRQHSA-N 1 2 249.401 1.001 20 0 BDADLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000741245249 585111647 /nfs/dbraw/zinc/11/16/47/585111647.db2.gz FNBMVRPWPXVOPM-NEPJUHHUSA-N 1 2 239.315 1.359 20 0 BDADLO CCOC(=O)[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000741245249 585111648 /nfs/dbraw/zinc/11/16/48/585111648.db2.gz FNBMVRPWPXVOPM-NEPJUHHUSA-N 1 2 239.315 1.359 20 0 BDADLO CCOC(=O)[C@H]1C[N@H+](CCSCC)CCO1 ZINC000741794725 585119665 /nfs/dbraw/zinc/11/96/65/585119665.db2.gz KGVZDXRAQOGEIS-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCOC(=O)[C@H]1C[N@@H+](CCSCC)CCO1 ZINC000741794725 585119666 /nfs/dbraw/zinc/11/96/66/585119666.db2.gz KGVZDXRAQOGEIS-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742236912 585123933 /nfs/dbraw/zinc/12/39/33/585123933.db2.gz CBUJVEIHUUCNSR-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CCCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742236912 585123934 /nfs/dbraw/zinc/12/39/34/585123934.db2.gz CBUJVEIHUUCNSR-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742238472 585123940 /nfs/dbraw/zinc/12/39/40/585123940.db2.gz YTZITNBJMNYEIZ-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742238472 585123941 /nfs/dbraw/zinc/12/39/41/585123941.db2.gz YTZITNBJMNYEIZ-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO Cc1nonc1CNc1cc[nH+]c(C(C)C)n1 ZINC000742420340 585126163 /nfs/dbraw/zinc/12/61/63/585126163.db2.gz GYUPDOZTUXBMGE-UHFFFAOYSA-N 1 2 233.275 1.904 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCCn2cc[nH+]c2)o1 ZINC000742538921 585127819 /nfs/dbraw/zinc/12/78/19/585127819.db2.gz KLYOTENZBVTTFV-NSHDSACASA-N 1 2 247.298 1.704 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000744399625 585150123 /nfs/dbraw/zinc/15/01/23/585150123.db2.gz UNRBKVBGTQERSV-CYBMUJFWSA-N 1 2 221.300 1.359 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC1(C)COC1 ZINC000745084872 585156641 /nfs/dbraw/zinc/15/66/41/585156641.db2.gz KEEKHPXCOXEVCU-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC1(C)COC1 ZINC000745084872 585156642 /nfs/dbraw/zinc/15/66/42/585156642.db2.gz KEEKHPXCOXEVCU-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1=CCCCO1 ZINC000746246503 585166429 /nfs/dbraw/zinc/16/64/29/585166429.db2.gz FEPOKFYYAVZEKB-UHFFFAOYSA-N 1 2 243.266 1.967 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC2(CCCC2)C1 ZINC000746325829 585167508 /nfs/dbraw/zinc/16/75/08/585167508.db2.gz LBLSJUMSAUOGFH-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO C[N@H+](CCF)[C@@H]1CCN(c2ccccc2)C1=O ZINC000746506357 585169644 /nfs/dbraw/zinc/16/96/44/585169644.db2.gz ULXWBZBSMJYSTJ-GFCCVEGCSA-N 1 2 236.290 1.693 20 0 BDADLO C[N@@H+](CCF)[C@@H]1CCN(c2ccccc2)C1=O ZINC000746506357 585169645 /nfs/dbraw/zinc/16/96/45/585169645.db2.gz ULXWBZBSMJYSTJ-GFCCVEGCSA-N 1 2 236.290 1.693 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1ncnn1C ZINC000748094973 585186914 /nfs/dbraw/zinc/18/69/14/585186914.db2.gz IHKHCIBOFGRNPZ-UHFFFAOYSA-N 1 2 245.286 1.170 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000748100541 585187139 /nfs/dbraw/zinc/18/71/39/585187139.db2.gz RRXDVIWPWWQURW-ZJUUUORDSA-N 1 2 232.324 1.581 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCCS2)CC[N@@H+]1C ZINC000748344679 585190896 /nfs/dbraw/zinc/19/08/96/585190896.db2.gz FHWWKLQYZOHLDS-NXEZZACHSA-N 1 2 228.361 1.045 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCCS2)CC[N@H+]1C ZINC000748344679 585190897 /nfs/dbraw/zinc/19/08/97/585190897.db2.gz FHWWKLQYZOHLDS-NXEZZACHSA-N 1 2 228.361 1.045 20 0 BDADLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)n1C ZINC000789776736 585197519 /nfs/dbraw/zinc/19/75/19/585197519.db2.gz MSLJGTPPMIZCPQ-UHFFFAOYSA-N 1 2 247.298 1.467 20 0 BDADLO COCC[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749948337 585208716 /nfs/dbraw/zinc/20/87/16/585208716.db2.gz XYMNDTIAQNACNN-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749948337 585208717 /nfs/dbraw/zinc/20/87/17/585208717.db2.gz XYMNDTIAQNACNN-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO C/C=C\C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749994021 585209383 /nfs/dbraw/zinc/20/93/83/585209383.db2.gz VKBGPTBPKJRXJM-WAYWQWQTSA-N 1 2 219.288 1.971 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CCS(C)(=O)=O ZINC000750043335 585209585 /nfs/dbraw/zinc/20/95/85/585209585.db2.gz IAJROXKBPMFLQV-SNVBAGLBSA-N 1 2 242.344 1.119 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CCS(C)(=O)=O ZINC000750043335 585209586 /nfs/dbraw/zinc/20/95/86/585209586.db2.gz IAJROXKBPMFLQV-SNVBAGLBSA-N 1 2 242.344 1.119 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000751367514 585227879 /nfs/dbraw/zinc/22/78/79/585227879.db2.gz NYZOAXQTEXINIA-VZUCSPMQSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000751367514 585227880 /nfs/dbraw/zinc/22/78/80/585227880.db2.gz NYZOAXQTEXINIA-VZUCSPMQSA-N 1 2 240.347 1.180 20 0 BDADLO CO[C@@H](C)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000751458688 585230741 /nfs/dbraw/zinc/23/07/41/585230741.db2.gz OAAYKHOLWPBALH-VIFPVBQESA-N 1 2 238.287 1.175 20 0 BDADLO CS/C=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000751560309 585232659 /nfs/dbraw/zinc/23/26/59/585232659.db2.gz QDSZSNDDUKLKBD-BSPAPZMXSA-N 1 2 225.317 1.265 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000752313902 585244609 /nfs/dbraw/zinc/24/46/09/585244609.db2.gz IBIBFCVKAGWDCH-OLZOCXBDSA-N 1 2 231.295 1.619 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000752313902 585244610 /nfs/dbraw/zinc/24/46/10/585244610.db2.gz IBIBFCVKAGWDCH-OLZOCXBDSA-N 1 2 231.295 1.619 20 0 BDADLO CC(C)(C)C(=O)CC[N@@H+]1CCNC(=O)C1(C)C ZINC000753723842 585267026 /nfs/dbraw/zinc/26/70/26/585267026.db2.gz JZMAFDJYBWNDOH-UHFFFAOYSA-N 1 2 240.347 1.202 20 0 BDADLO CC(C)(C)C(=O)CC[N@H+]1CCNC(=O)C1(C)C ZINC000753723842 585267027 /nfs/dbraw/zinc/26/70/27/585267027.db2.gz JZMAFDJYBWNDOH-UHFFFAOYSA-N 1 2 240.347 1.202 20 0 BDADLO CC[C@@H](C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896089 585271668 /nfs/dbraw/zinc/27/16/68/585271668.db2.gz ZNODCWUALQNNOE-UTUOFQBUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896089 585271669 /nfs/dbraw/zinc/27/16/69/585271669.db2.gz ZNODCWUALQNNOE-UTUOFQBUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000754009779 585274984 /nfs/dbraw/zinc/27/49/84/585274984.db2.gz LAQMWFPGHYAJTH-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000754009779 585274985 /nfs/dbraw/zinc/27/49/85/585274985.db2.gz LAQMWFPGHYAJTH-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCC(C)C ZINC000754288827 585282041 /nfs/dbraw/zinc/28/20/41/585282041.db2.gz OPPVWYBEPAFJLA-UHFFFAOYSA-N 1 2 229.324 1.446 20 0 BDADLO CC[S@](=O)CCNc1cc[nH+]c2ccncc12 ZINC000754488023 585285217 /nfs/dbraw/zinc/28/52/17/585285217.db2.gz NXIYMBDAYGWSFS-KRWDZBQOSA-N 1 2 249.339 1.232 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000754564605 585286305 /nfs/dbraw/zinc/28/63/05/585286305.db2.gz GSPPKXYUCMNWCJ-VXGBXAGGSA-N 1 2 243.347 1.590 20 0 BDADLO C[C@@H](C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000754682164 585289272 /nfs/dbraw/zinc/28/92/72/585289272.db2.gz HITLNNBTLMZKAJ-MRVPVSSYSA-N 1 2 208.261 1.509 20 0 BDADLO CCOCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755903793 585309865 /nfs/dbraw/zinc/30/98/65/585309865.db2.gz NMPSFQYLXSUNIB-UHFFFAOYSA-N 1 2 238.287 1.227 20 0 BDADLO CCCCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755950098 585311392 /nfs/dbraw/zinc/31/13/92/585311392.db2.gz NQXMKGRRLJLMSQ-MRXNPFEDSA-N 1 2 246.420 1.173 20 0 BDADLO CC[C@H](CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC000755988986 585311797 /nfs/dbraw/zinc/31/17/97/585311797.db2.gz GIDGCHLMDIDOIG-SNVBAGLBSA-N 1 2 247.298 1.225 20 0 BDADLO FC(F)C(F)(F)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000756903572 585325117 /nfs/dbraw/zinc/32/51/17/585325117.db2.gz WRKXDJGHSZWWJD-SECBINFHSA-N 1 2 241.228 1.999 20 0 BDADLO FC(F)C(F)(F)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000756903572 585325118 /nfs/dbraw/zinc/32/51/18/585325118.db2.gz WRKXDJGHSZWWJD-SECBINFHSA-N 1 2 241.228 1.999 20 0 BDADLO C[C@H](O)CC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000839565053 585330249 /nfs/dbraw/zinc/33/02/49/585330249.db2.gz VAWRZYJJQYNGRF-JTQLQIEISA-N 1 2 239.290 1.100 20 0 BDADLO CC(C)(C)OC(=O)CC[NH2+][C@]1(C)CCOC1=O ZINC000839604491 585331544 /nfs/dbraw/zinc/33/15/44/585331544.db2.gz DHVHNXVNPWKXJE-GFCCVEGCSA-N 1 2 243.303 1.013 20 0 BDADLO FC[C@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000839621608 585332441 /nfs/dbraw/zinc/33/24/41/585332441.db2.gz GYOBGFWZERTGGK-YUMQZZPRSA-N 1 2 242.121 1.851 20 0 BDADLO FC[C@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000839621608 585332442 /nfs/dbraw/zinc/33/24/42/585332442.db2.gz GYOBGFWZERTGGK-YUMQZZPRSA-N 1 2 242.121 1.851 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(F)(F)C(F)F ZINC000839668401 585334522 /nfs/dbraw/zinc/33/45/22/585334522.db2.gz ATQXXENQZMEZFI-YUMQZZPRSA-N 1 2 243.244 1.980 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@H+]1CC(F)(F)C(F)F ZINC000839668401 585334523 /nfs/dbraw/zinc/33/45/23/585334523.db2.gz ATQXXENQZMEZFI-YUMQZZPRSA-N 1 2 243.244 1.980 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)C2=COCC2)c1 ZINC000757712037 585344601 /nfs/dbraw/zinc/34/46/01/585344601.db2.gz NZCQXXGEXVCTEL-UHFFFAOYSA-N 1 2 249.266 1.746 20 0 BDADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC000758330033 585353886 /nfs/dbraw/zinc/35/38/86/585353886.db2.gz GZTODWZUQQRSMR-SVRRBLITSA-N 1 2 236.237 1.148 20 0 BDADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC000758330033 585353887 /nfs/dbraw/zinc/35/38/87/585353887.db2.gz GZTODWZUQQRSMR-SVRRBLITSA-N 1 2 236.237 1.148 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cn2ncn(C)c2=O)CC1 ZINC000758331794 585353975 /nfs/dbraw/zinc/35/39/75/585353975.db2.gz HSXWTLVIGPQFMP-LLVKDONJSA-N 1 2 238.335 1.051 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=O)CC1 ZINC000758331794 585353976 /nfs/dbraw/zinc/35/39/76/585353976.db2.gz HSXWTLVIGPQFMP-LLVKDONJSA-N 1 2 238.335 1.051 20 0 BDADLO CCC1(CC)CC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000758350843 585354462 /nfs/dbraw/zinc/35/44/62/585354462.db2.gz FZKGARXWFOXJBY-UHFFFAOYSA-N 1 2 238.335 1.051 20 0 BDADLO CCC1(CC)CC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000758350843 585354463 /nfs/dbraw/zinc/35/44/63/585354463.db2.gz FZKGARXWFOXJBY-UHFFFAOYSA-N 1 2 238.335 1.051 20 0 BDADLO Clc1ncccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000759548615 585375473 /nfs/dbraw/zinc/37/54/73/585375473.db2.gz GMVGARLNDNKJAH-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1ncccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000759548615 585375474 /nfs/dbraw/zinc/37/54/74/585375474.db2.gz GMVGARLNDNKJAH-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CNc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000759621117 585377277 /nfs/dbraw/zinc/37/72/77/585377277.db2.gz MTTUUIYZROROLY-UHFFFAOYSA-N 1 2 245.282 1.782 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)C1CC(O)C1 ZINC000759873785 585382188 /nfs/dbraw/zinc/38/21/88/585382188.db2.gz BEHODOAVGKGCLG-WHXUTIOJSA-N 1 2 229.320 1.173 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)C1CC(O)C1 ZINC000759873785 585382189 /nfs/dbraw/zinc/38/21/89/585382189.db2.gz BEHODOAVGKGCLG-WHXUTIOJSA-N 1 2 229.320 1.173 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCOC(C)C)C(C)(C)C ZINC000760916649 585401634 /nfs/dbraw/zinc/40/16/34/585401634.db2.gz JONAGJURAWIEGS-LLVKDONJSA-N 1 2 245.363 1.979 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054716 585404379 /nfs/dbraw/zinc/40/43/79/585404379.db2.gz UEFSPFJKRFLYFL-RNFRBKRXSA-N 1 2 223.194 1.186 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054716 585404380 /nfs/dbraw/zinc/40/43/80/585404380.db2.gz UEFSPFJKRFLYFL-RNFRBKRXSA-N 1 2 223.194 1.186 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761082157 585407049 /nfs/dbraw/zinc/40/70/49/585407049.db2.gz GYACXECWZZCXMT-SCZZXKLOSA-N 1 2 237.328 1.696 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761082157 585407050 /nfs/dbraw/zinc/40/70/50/585407050.db2.gz GYACXECWZZCXMT-SCZZXKLOSA-N 1 2 237.328 1.696 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)OCc1ccccc1 ZINC000761106504 585409999 /nfs/dbraw/zinc/40/99/99/585409999.db2.gz WNIXERAQYGFZJK-AAEUAGOBSA-N 1 2 249.310 1.185 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)OCc1ccccc1 ZINC000761106504 585410000 /nfs/dbraw/zinc/41/00/00/585410000.db2.gz WNIXERAQYGFZJK-AAEUAGOBSA-N 1 2 249.310 1.185 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000761128540 585410877 /nfs/dbraw/zinc/41/08/77/585410877.db2.gz WRVLMYJZLWFTJX-DJTWPOEFSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCOC[C@H]1C1CC1 ZINC000761128540 585410878 /nfs/dbraw/zinc/41/08/78/585410878.db2.gz WRVLMYJZLWFTJX-DJTWPOEFSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H](Cc1nc(Cc2c[nH+]cn2C)no1)C1CC1 ZINC000762412588 585431844 /nfs/dbraw/zinc/43/18/44/585431844.db2.gz YBQLWQGTIQRZBK-SECBINFHSA-N 1 2 246.314 1.983 20 0 BDADLO Cn1cccc1C(=O)OCCn1cc[nH+]c1 ZINC000763108773 585443186 /nfs/dbraw/zinc/44/31/86/585443186.db2.gz KYDIBZJJDXIPGD-UHFFFAOYSA-N 1 2 219.244 1.079 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccccc1F ZINC000763112296 585443285 /nfs/dbraw/zinc/44/32/85/585443285.db2.gz GQFMXFCOMHESGH-UHFFFAOYSA-N 1 2 234.230 1.879 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc(Cl)c[nH]1 ZINC000763114099 585443380 /nfs/dbraw/zinc/44/33/80/585443380.db2.gz SQMKPBZQTKCMOJ-UHFFFAOYSA-N 1 2 239.662 1.722 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccco1 ZINC000763115329 585443443 /nfs/dbraw/zinc/44/34/43/585443443.db2.gz MFASTOGKIKLGSM-UHFFFAOYSA-N 1 2 206.201 1.333 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccccc1O ZINC000763288463 585445866 /nfs/dbraw/zinc/44/58/66/585445866.db2.gz OEQJWWKIYXCADX-UHFFFAOYSA-N 1 2 246.266 1.836 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000764406387 585465155 /nfs/dbraw/zinc/46/51/55/585465155.db2.gz HRRMSDPBKIZQLO-MNOVXSKESA-N 1 2 220.320 1.591 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000764406387 585465156 /nfs/dbraw/zinc/46/51/56/585465156.db2.gz HRRMSDPBKIZQLO-MNOVXSKESA-N 1 2 220.320 1.591 20 0 BDADLO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](F)C(F)(F)F ZINC000764508179 585466913 /nfs/dbraw/zinc/46/69/13/585466913.db2.gz QHZNIEBJBOCHQD-RNFRBKRXSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@H](CC[NH+](C)C)NC(=O)C(F)C(F)(F)F ZINC000764508179 585466914 /nfs/dbraw/zinc/46/69/14/585466914.db2.gz QHZNIEBJBOCHQD-RNFRBKRXSA-N 1 2 244.232 1.343 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+]CCc2ccccc2F)C1 ZINC000764723537 585471961 /nfs/dbraw/zinc/47/19/61/585471961.db2.gz PLISBSFMISZDMW-UHFFFAOYSA-N 1 2 235.262 1.316 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000805322056 585498660 /nfs/dbraw/zinc/49/86/60/585498660.db2.gz PJLDTXOFYAILHO-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1cc[nH+]c(N2CCN(CCF)CC2)c1 ZINC000767069715 585513594 /nfs/dbraw/zinc/51/35/94/585513594.db2.gz XVQMZRPNHQMAIV-UHFFFAOYSA-N 1 2 223.295 1.482 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)C1CC1 ZINC000767347769 585517156 /nfs/dbraw/zinc/51/71/56/585517156.db2.gz UYSDTGWIELODRX-LLVKDONJSA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCC(=O)C1CC1 ZINC000767347769 585517157 /nfs/dbraw/zinc/51/71/57/585517157.db2.gz UYSDTGWIELODRX-LLVKDONJSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(C[N@H+](C)C(C)(C)C(=O)OC)OCC ZINC000767801396 585526283 /nfs/dbraw/zinc/52/62/83/585526283.db2.gz JPVVIVUPOCFVPE-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(C[N@@H+](C)C(C)(C)C(=O)OC)OCC ZINC000767801396 585526284 /nfs/dbraw/zinc/52/62/84/585526284.db2.gz JPVVIVUPOCFVPE-UHFFFAOYSA-N 1 2 247.335 1.269 20 0 BDADLO CN(C)c1ccc(CNC(=O)C(C)(C)F)c[nH+]1 ZINC000768326182 585535771 /nfs/dbraw/zinc/53/57/71/585535771.db2.gz CHXNWJKVZHHDSO-UHFFFAOYSA-N 1 2 239.294 1.512 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC000768487835 585539385 /nfs/dbraw/zinc/53/93/85/585539385.db2.gz KUGKYGWOYCNMKE-SECBINFHSA-N 1 2 239.294 1.484 20 0 BDADLO COc1cc(C)[nH+]c(Cn2nnnc2C(C)C)c1 ZINC000769564222 585559712 /nfs/dbraw/zinc/55/97/12/585559712.db2.gz MOWORTIWIGEKTP-UHFFFAOYSA-N 1 2 247.302 1.557 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H]3C[C@H]32)n1-c1ccccc1 ZINC000769770999 585563075 /nfs/dbraw/zinc/56/30/75/585563075.db2.gz QMDQXGNKNLMEAG-WCQYABFASA-N 1 2 240.310 1.862 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H]3C[C@H]32)n1-c1ccccc1 ZINC000769770999 585563076 /nfs/dbraw/zinc/56/30/76/585563076.db2.gz QMDQXGNKNLMEAG-WCQYABFASA-N 1 2 240.310 1.862 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C(C)(C)C ZINC000769807694 585564118 /nfs/dbraw/zinc/56/41/18/585564118.db2.gz YVKHFZXIWZZZKF-QWRGUYRKSA-N 1 2 245.363 1.715 20 0 BDADLO CCc1cc(NC[C@H](O)c2ccccn2)nc[nH+]1 ZINC000770128996 585571186 /nfs/dbraw/zinc/57/11/86/585571186.db2.gz PONIPEAVMPPGBU-LBPRGKRZSA-N 1 2 244.298 1.580 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@H](C)c1ncc(C)o1 ZINC000770699631 585580263 /nfs/dbraw/zinc/58/02/63/585580263.db2.gz RIPNFWROUVZILE-JGVFFNPUSA-N 1 2 227.264 1.577 20 0 BDADLO CO[C@H](C(=O)OCc1c[nH+]cn1C)C(C)C ZINC000770885621 585583652 /nfs/dbraw/zinc/58/36/52/585583652.db2.gz YVPLGHBBVHXJRP-JTQLQIEISA-N 1 2 226.276 1.134 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)c1cocn1 ZINC000770925092 585584198 /nfs/dbraw/zinc/58/41/98/585584198.db2.gz JCYCLMCKCVGTTI-UHFFFAOYSA-N 1 2 243.222 1.679 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)C(F)(F)F)CC[N@H+]1C ZINC000771407626 585593952 /nfs/dbraw/zinc/59/39/52/585593952.db2.gz SDQUMBJJIUTJBN-RQJHMYQMSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)C(F)(F)F)CC[N@@H+]1C ZINC000771407626 585593953 /nfs/dbraw/zinc/59/39/53/585593953.db2.gz SDQUMBJJIUTJBN-RQJHMYQMSA-N 1 2 224.226 1.100 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C(C)(C)CO ZINC000805437371 585595434 /nfs/dbraw/zinc/59/54/34/585595434.db2.gz HNWOLEUHGHABMZ-UHFFFAOYSA-N 1 2 239.271 1.152 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000771802254 585600593 /nfs/dbraw/zinc/60/05/93/585600593.db2.gz NRHMYLHKGNVLSN-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO CCC[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771919884 585604327 /nfs/dbraw/zinc/60/43/27/585604327.db2.gz WKDOKRYOLJLZOV-JTQLQIEISA-N 1 2 210.277 1.863 20 0 BDADLO Cc1ccc(CC(=O)OCCn2cc[nH+]c2)cn1 ZINC000771930028 585604623 /nfs/dbraw/zinc/60/46/23/585604623.db2.gz ZHKYRQRREZRHSH-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO CCc1cc(NC[C@@H](O)c2cccnc2)nc[nH+]1 ZINC000771922203 585604784 /nfs/dbraw/zinc/60/47/84/585604784.db2.gz NNWYMKLEVATHPE-GFCCVEGCSA-N 1 2 244.298 1.580 20 0 BDADLO Cc1cccnc1C(=O)OCCn1cc[nH+]c1 ZINC000771993964 585606351 /nfs/dbraw/zinc/60/63/51/585606351.db2.gz MYQVWNILBVMIEQ-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000772380732 585613520 /nfs/dbraw/zinc/61/35/20/585613520.db2.gz ZFCPZQWFMCACTF-JTQLQIEISA-N 1 2 209.293 1.040 20 0 BDADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000772380732 585613521 /nfs/dbraw/zinc/61/35/21/585613521.db2.gz ZFCPZQWFMCACTF-JTQLQIEISA-N 1 2 209.293 1.040 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772485947 585616233 /nfs/dbraw/zinc/61/62/33/585616233.db2.gz AQIVJCVXHVAZDS-GHMZBOCLSA-N 1 2 222.288 1.718 20 0 BDADLO CCC(CC)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805470540 585622973 /nfs/dbraw/zinc/62/29/73/585622973.db2.gz VFXIAOVELVDNRX-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CCC(CC)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805470540 585622974 /nfs/dbraw/zinc/62/29/74/585622974.db2.gz VFXIAOVELVDNRX-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805470574 585622985 /nfs/dbraw/zinc/62/29/85/585622985.db2.gz YVZWXQDZEAHHGT-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805470574 585622986 /nfs/dbraw/zinc/62/29/86/585622986.db2.gz YVZWXQDZEAHHGT-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cn1cc[nH]c1=S ZINC000772821697 585624136 /nfs/dbraw/zinc/62/41/36/585624136.db2.gz NFFFERFDERNSCF-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cn1cc[nH]c1=S ZINC000772821697 585624137 /nfs/dbraw/zinc/62/41/37/585624137.db2.gz NFFFERFDERNSCF-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCCCF)C1 ZINC000805473256 585625737 /nfs/dbraw/zinc/62/57/37/585625737.db2.gz DYQBENALATWBGR-LLVKDONJSA-N 1 2 247.310 1.390 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCCCF)C1 ZINC000805473256 585625738 /nfs/dbraw/zinc/62/57/38/585625738.db2.gz DYQBENALATWBGR-LLVKDONJSA-N 1 2 247.310 1.390 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ocnc1C ZINC000805485268 585637433 /nfs/dbraw/zinc/63/74/33/585637433.db2.gz HOBKDIXACHZWOB-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO CCC(C)(C)NC(=S)NCCn1cc[nH+]c1 ZINC000774150931 585652090 /nfs/dbraw/zinc/65/20/90/585652090.db2.gz UQOPPOOHGSNLFW-UHFFFAOYSA-N 1 2 240.376 1.536 20 0 BDADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C)ncn1 ZINC000774237329 585654714 /nfs/dbraw/zinc/65/47/14/585654714.db2.gz VTMMXYKUUHZWLS-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2C)ncn1 ZINC000774237329 585654715 /nfs/dbraw/zinc/65/47/15/585654715.db2.gz VTMMXYKUUHZWLS-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO COCC1=CC[N@H+](Cn2ccsc2=O)CC1 ZINC000774645809 585662528 /nfs/dbraw/zinc/66/25/28/585662528.db2.gz LVKUSMRYNOEUAB-UHFFFAOYSA-N 1 2 240.328 1.146 20 0 BDADLO COCC1=CC[N@@H+](Cn2ccsc2=O)CC1 ZINC000774645809 585662529 /nfs/dbraw/zinc/66/25/29/585662529.db2.gz LVKUSMRYNOEUAB-UHFFFAOYSA-N 1 2 240.328 1.146 20 0 BDADLO CON(C)C(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000774771037 585665661 /nfs/dbraw/zinc/66/56/61/585665661.db2.gz FOBPNMNDKOHMOE-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO CON(C)C(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000774771037 585665662 /nfs/dbraw/zinc/66/56/62/585665662.db2.gz FOBPNMNDKOHMOE-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000774905451 585669138 /nfs/dbraw/zinc/66/91/38/585669138.db2.gz NDXRDMMFNANWPP-KZTGVZKYSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H]1CCC=CO1 ZINC000774905451 585669139 /nfs/dbraw/zinc/66/91/39/585669139.db2.gz NDXRDMMFNANWPP-KZTGVZKYSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@H](C(=O)OC/C=C\Cl)[NH+]1CCSCC1 ZINC000774985878 585670014 /nfs/dbraw/zinc/67/00/14/585670014.db2.gz DVSMQJRRMAEKKN-PKRMOACSSA-N 1 2 249.763 1.719 20 0 BDADLO C[C@@H](C(=O)OCCCF)[NH+]1CCSCC1 ZINC000774989529 585670069 /nfs/dbraw/zinc/67/00/69/585670069.db2.gz GXRQIRIJLTYRAV-VIFPVBQESA-N 1 2 235.324 1.327 20 0 BDADLO C[C@@H](C(=O)OCCC1CC1)[NH+]1CCSCC1 ZINC000774977967 585670177 /nfs/dbraw/zinc/67/01/77/585670177.db2.gz CJULHCOYVZLNEE-JTQLQIEISA-N 1 2 243.372 1.767 20 0 BDADLO COc1cc[nH+]cc1COC(=O)Cc1ccoc1 ZINC000805532236 585672063 /nfs/dbraw/zinc/67/20/63/585672063.db2.gz SQMZUTZGTLBXAW-UHFFFAOYSA-N 1 2 247.250 1.969 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2nccn2C)[nH]n1 ZINC000775396805 585677361 /nfs/dbraw/zinc/67/73/61/585677361.db2.gz VFIQXEDCFULSQR-VIFPVBQESA-N 1 2 233.319 1.556 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000775566655 585679885 /nfs/dbraw/zinc/67/98/85/585679885.db2.gz QPVUFULHUWYPLK-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000775566655 585679886 /nfs/dbraw/zinc/67/98/86/585679886.db2.gz QPVUFULHUWYPLK-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000775567572 585679999 /nfs/dbraw/zinc/67/99/99/585679999.db2.gz JKJMTCJAVIIEBB-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000775567572 585680000 /nfs/dbraw/zinc/68/00/00/585680000.db2.gz JKJMTCJAVIIEBB-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CCc1cnc(C[N@@H+]2CCOCC[C@H]2C)o1 ZINC000775568873 585680113 /nfs/dbraw/zinc/68/01/13/585680113.db2.gz XOGLRCTVLOTLGO-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCOCC[C@H]2C)o1 ZINC000775568873 585680114 /nfs/dbraw/zinc/68/01/14/585680114.db2.gz XOGLRCTVLOTLGO-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCF ZINC000775805919 585685718 /nfs/dbraw/zinc/68/57/18/585685718.db2.gz FRLFEZKHVVSWCJ-BDAKNGLRSA-N 1 2 203.257 1.229 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCF ZINC000775805919 585685719 /nfs/dbraw/zinc/68/57/19/585685719.db2.gz FRLFEZKHVVSWCJ-BDAKNGLRSA-N 1 2 203.257 1.229 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](Cc2ccoc2)CCN1C ZINC000775988400 585688364 /nfs/dbraw/zinc/68/83/64/585688364.db2.gz XNYXUYWNCBUKBB-QWRGUYRKSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](Cc2ccoc2)CCN1C ZINC000775988400 585688365 /nfs/dbraw/zinc/68/83/65/585688365.db2.gz XNYXUYWNCBUKBB-QWRGUYRKSA-N 1 2 208.305 1.804 20 0 BDADLO CON(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000776001613 585689085 /nfs/dbraw/zinc/68/90/85/585689085.db2.gz AEMLLSQAXFDLDP-UHFFFAOYSA-N 1 2 220.232 1.359 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCCn2cc[nH+]c2)CCO1 ZINC000776412533 585697853 /nfs/dbraw/zinc/69/78/53/585697853.db2.gz IKLBUCZUTXDKDN-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO C[C@H]1CC[C@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000776526042 585700241 /nfs/dbraw/zinc/70/02/41/585700241.db2.gz VICLDNQVBINKPB-UWVGGRQHSA-N 1 2 222.288 1.900 20 0 BDADLO CC(C)CONC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000776676828 585703002 /nfs/dbraw/zinc/70/30/02/585703002.db2.gz RFRCHPWZMXJGTD-SNVBAGLBSA-N 1 2 237.303 1.149 20 0 BDADLO Fc1cccc([C@@H]2CC[N@@H+]2Cn2cnnc2)c1 ZINC000776760879 585704933 /nfs/dbraw/zinc/70/49/33/585704933.db2.gz WXZDLBDNJRMONZ-LBPRGKRZSA-N 1 2 232.262 1.822 20 0 BDADLO Fc1cccc([C@@H]2CC[N@H+]2Cn2cnnc2)c1 ZINC000776760879 585704934 /nfs/dbraw/zinc/70/49/34/585704934.db2.gz WXZDLBDNJRMONZ-LBPRGKRZSA-N 1 2 232.262 1.822 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCF ZINC000776854081 585706186 /nfs/dbraw/zinc/70/61/86/585706186.db2.gz OEDBMNMZDZBARJ-QMMMGPOBSA-N 1 2 204.289 1.191 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCF ZINC000776854081 585706187 /nfs/dbraw/zinc/70/61/87/585706187.db2.gz OEDBMNMZDZBARJ-QMMMGPOBSA-N 1 2 204.289 1.191 20 0 BDADLO CC[NH+]1CCN(C(=O)C(C)(Cl)Cl)CC1 ZINC000777275063 585710086 /nfs/dbraw/zinc/71/00/86/585710086.db2.gz OWGGZHAODFBGQY-UHFFFAOYSA-N 1 2 239.146 1.344 20 0 BDADLO C[C@@H]1CC[N@H+](CC2OCCO2)C[C@@H]1F ZINC000778232708 585728707 /nfs/dbraw/zinc/72/87/07/585728707.db2.gz GRUKGBTZRKZAQD-BDAKNGLRSA-N 1 2 203.257 1.039 20 0 BDADLO C[C@@H]1CC[N@@H+](CC2OCCO2)C[C@@H]1F ZINC000778232708 585728708 /nfs/dbraw/zinc/72/87/08/585728708.db2.gz GRUKGBTZRKZAQD-BDAKNGLRSA-N 1 2 203.257 1.039 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCCC1 ZINC000778253811 585729687 /nfs/dbraw/zinc/72/96/87/585729687.db2.gz URTXJWMYAJEEPK-NSHDSACASA-N 1 2 248.330 1.393 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000778249847 585729814 /nfs/dbraw/zinc/72/98/14/585729814.db2.gz ZQGDHLSSYLRTBR-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000778249847 585729815 /nfs/dbraw/zinc/72/98/15/585729815.db2.gz ZQGDHLSSYLRTBR-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cn1c[nH+]cc1COC(=O)COC(C)(C)C ZINC000778313055 585730867 /nfs/dbraw/zinc/73/08/67/585730867.db2.gz NTBIUKIAKNCDPT-UHFFFAOYSA-N 1 2 226.276 1.278 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccnc(F)c1 ZINC000859269898 589024932 /nfs/dbraw/zinc/02/49/32/589024932.db2.gz UYGMBWUXLCNUON-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccnc(F)c1 ZINC000859269898 589024933 /nfs/dbraw/zinc/02/49/33/589024933.db2.gz UYGMBWUXLCNUON-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO CC1(C)CN(C[N@H+]2CC=CCC2)C(=O)O1 ZINC000778577385 585737316 /nfs/dbraw/zinc/73/73/16/585737316.db2.gz SKIPTVOXUDNAIF-UHFFFAOYSA-N 1 2 210.277 1.437 20 0 BDADLO CC1(C)CN(C[N@@H+]2CC=CCC2)C(=O)O1 ZINC000778577385 585737317 /nfs/dbraw/zinc/73/73/17/585737317.db2.gz SKIPTVOXUDNAIF-UHFFFAOYSA-N 1 2 210.277 1.437 20 0 BDADLO Cn1ccc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000778590325 585737630 /nfs/dbraw/zinc/73/76/30/585737630.db2.gz YOQGGQZANYXEPJ-UHFFFAOYSA-N 1 2 230.271 1.467 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779098134 585745189 /nfs/dbraw/zinc/74/51/89/585745189.db2.gz ZVRWDXQQKWEWKN-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC=CO1 ZINC000779217597 585747399 /nfs/dbraw/zinc/74/73/99/585747399.db2.gz QEJFDSRDUBLTCD-QWRGUYRKSA-N 1 2 247.298 1.007 20 0 BDADLO C[C@@H](CCO)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000779423015 585754846 /nfs/dbraw/zinc/75/48/46/585754846.db2.gz ZICLSLAHTWWXMW-NSHDSACASA-N 1 2 235.331 1.865 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC=CO1 ZINC000781475226 585796720 /nfs/dbraw/zinc/79/67/20/585796720.db2.gz MRJFTTMRBDSWNX-LBPRGKRZSA-N 1 2 249.314 1.472 20 0 BDADLO CC(C)(C(=O)OCC[NH+]1CCOCC1)C1CC1 ZINC000805704013 585803082 /nfs/dbraw/zinc/80/30/82/585803082.db2.gz YEHQCHUWQGRDIR-UHFFFAOYSA-N 1 2 241.331 1.298 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](CO)c1ccccc1C ZINC000782083190 585807620 /nfs/dbraw/zinc/80/76/20/585807620.db2.gz PSCARELCNYYDEC-ZDUSSCGKSA-N 1 2 247.298 1.510 20 0 BDADLO CCOCCO[NH+]=C(N)Cc1cccs1 ZINC000782327778 585814974 /nfs/dbraw/zinc/81/49/74/585814974.db2.gz LHGOGCZZIBFPPE-UHFFFAOYSA-N 1 2 228.317 1.826 20 0 BDADLO CON(C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000782474343 585818635 /nfs/dbraw/zinc/81/86/35/585818635.db2.gz MMLGYGKTNXKXSW-UHFFFAOYSA-N 1 2 231.299 1.925 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000782636796 585823760 /nfs/dbraw/zinc/82/37/60/585823760.db2.gz YOHZDNJWBYVMSA-MFKMUULPSA-N 1 2 234.299 1.366 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000782636796 585823761 /nfs/dbraw/zinc/82/37/61/585823761.db2.gz YOHZDNJWBYVMSA-MFKMUULPSA-N 1 2 234.299 1.366 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCO[C@@H](C)C1 ZINC000783025525 585827226 /nfs/dbraw/zinc/82/72/26/585827226.db2.gz CDWXUTYOFGASNF-WDEREUQCSA-N 1 2 244.335 1.725 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000783048577 585827271 /nfs/dbraw/zinc/82/72/71/585827271.db2.gz XCQXFLICPDLNRS-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1=CCCCC1 ZINC000783105372 585827838 /nfs/dbraw/zinc/82/78/38/585827838.db2.gz TVZJHJICGSFADD-UHFFFAOYSA-N 1 2 220.272 1.964 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1ccc(N(C)CCO)c[nH+]1 ZINC000783273845 585832852 /nfs/dbraw/zinc/83/28/52/585832852.db2.gz BKIFEEOOPQVZPP-JQWIXIFHSA-N 1 2 235.331 1.721 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000783435870 585834939 /nfs/dbraw/zinc/83/49/39/585834939.db2.gz GCYFUCMETPRASE-NSHDSACASA-N 1 2 238.287 1.243 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCOC2=S)[C@H](C)[C@H](C)O1 ZINC000783542256 585836345 /nfs/dbraw/zinc/83/63/45/585836345.db2.gz IYUGNQILYSNVJA-BBBLOLIVSA-N 1 2 244.360 1.059 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCOC2=S)[C@H](C)[C@H](C)O1 ZINC000783542256 585836346 /nfs/dbraw/zinc/83/63/46/585836346.db2.gz IYUGNQILYSNVJA-BBBLOLIVSA-N 1 2 244.360 1.059 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)C1 ZINC000783547017 585836365 /nfs/dbraw/zinc/83/63/65/585836365.db2.gz ZKSLBPJPUJRWMA-WRWGMCAJSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)C1 ZINC000783547017 585836366 /nfs/dbraw/zinc/83/63/66/585836366.db2.gz ZKSLBPJPUJRWMA-WRWGMCAJSA-N 1 2 240.347 1.310 20 0 BDADLO COCC[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000783610440 585838559 /nfs/dbraw/zinc/83/85/59/585838559.db2.gz MPRMZSBANHBGPO-JTQLQIEISA-N 1 2 248.282 1.916 20 0 BDADLO C[C@@H](O)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000783629452 585838874 /nfs/dbraw/zinc/83/88/74/585838874.db2.gz NVEBBNKVAHILTO-VHSXEESVSA-N 1 2 247.298 1.224 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cn1 ZINC000783734032 585840711 /nfs/dbraw/zinc/84/07/11/585840711.db2.gz QFODOQHLERPZLB-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cn1 ZINC000783734032 585840712 /nfs/dbraw/zinc/84/07/12/585840712.db2.gz QFODOQHLERPZLB-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(CC(=O)OCCCn2cc[nH+]c2)[nH]n1 ZINC000784100163 585849368 /nfs/dbraw/zinc/84/93/68/585849368.db2.gz YICPUADGFHOZPT-UHFFFAOYSA-N 1 2 248.286 1.091 20 0 BDADLO Cc1cc(CC(=O)OCCCn2cc[nH+]c2)n[nH]1 ZINC000784100163 585849369 /nfs/dbraw/zinc/84/93/69/585849369.db2.gz YICPUADGFHOZPT-UHFFFAOYSA-N 1 2 248.286 1.091 20 0 BDADLO COC[C@@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000784099332 585849446 /nfs/dbraw/zinc/84/94/46/585849446.db2.gz OKLDXCYUFOHWOZ-NSHDSACASA-N 1 2 240.303 1.489 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCOC2CCC2)CCO1 ZINC000805755946 585849686 /nfs/dbraw/zinc/84/96/86/585849686.db2.gz NOLUSWMGKPSLPI-SNVBAGLBSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCOC2CCC2)CCO1 ZINC000805755946 585849687 /nfs/dbraw/zinc/84/96/87/585849687.db2.gz NOLUSWMGKPSLPI-SNVBAGLBSA-N 1 2 235.274 1.521 20 0 BDADLO CC1(C)C[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000784341262 585856298 /nfs/dbraw/zinc/85/62/98/585856298.db2.gz VJJAYODBJCKCST-JTQLQIEISA-N 1 2 222.288 1.863 20 0 BDADLO COC[C@@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000784367518 585857470 /nfs/dbraw/zinc/85/74/70/585857470.db2.gz YEMKBIXJSLONIV-SECBINFHSA-N 1 2 238.287 1.175 20 0 BDADLO COCC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000784366733 585857670 /nfs/dbraw/zinc/85/76/70/585857670.db2.gz LFPNCPSRXBCFDT-UHFFFAOYSA-N 1 2 240.303 1.489 20 0 BDADLO CC(C)[C@H](F)C(=O)NCCc1c[nH+]cn1C ZINC000784465618 585861030 /nfs/dbraw/zinc/86/10/30/585861030.db2.gz ZIPSNLUGHCZWIP-JTQLQIEISA-N 1 2 227.283 1.073 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CC1CC1 ZINC000784904409 585867164 /nfs/dbraw/zinc/86/71/64/585867164.db2.gz DLXBGNWLYGLZRM-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCCCn2cc[nH+]c2)CO1 ZINC000784876467 585867420 /nfs/dbraw/zinc/86/74/20/585867420.db2.gz SCIFGAUKGWSUNK-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO CCC/C=C/C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784919066 585868274 /nfs/dbraw/zinc/86/82/74/585868274.db2.gz VNZPLBYNNHGYOC-BTDICHCPSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@H](NC(=O)/C=C/SC)c1[nH]cc[nH+]1 ZINC000785420754 585873314 /nfs/dbraw/zinc/87/33/14/585873314.db2.gz BYROMEYQHLFBNJ-IPWDFOCMSA-N 1 2 225.317 1.854 20 0 BDADLO CC[C@H](NC(=O)C=CSC)c1[nH]cc[nH+]1 ZINC000785420754 585873315 /nfs/dbraw/zinc/87/33/15/585873315.db2.gz BYROMEYQHLFBNJ-IPWDFOCMSA-N 1 2 225.317 1.854 20 0 BDADLO CC[C@@]1(C)C[N@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000785494269 585874621 /nfs/dbraw/zinc/87/46/21/585874621.db2.gz DUBRQIZMSDUNGX-GXJZLWQJSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@@]1(C)C[N@@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000785494269 585874622 /nfs/dbraw/zinc/87/46/22/585874622.db2.gz DUBRQIZMSDUNGX-GXJZLWQJSA-N 1 2 241.331 1.607 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@H](C)c1ncnn1C ZINC000785521933 585875232 /nfs/dbraw/zinc/87/52/32/585875232.db2.gz IVRZLBRQHXAVTQ-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cc1[nH]ncc1C(=O)OCCCn1cc[nH+]c1 ZINC000785577133 585876004 /nfs/dbraw/zinc/87/60/04/585876004.db2.gz OKJGJKNPOWLTHU-UHFFFAOYSA-N 1 2 234.259 1.162 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785745206 585878903 /nfs/dbraw/zinc/87/89/03/585878903.db2.gz ZIOKQMBFKOUNIM-MXWKQRLJSA-N 1 2 241.331 1.770 20 0 BDADLO CC(=O)[C@H](C)OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785742866 585879465 /nfs/dbraw/zinc/87/94/65/585879465.db2.gz PHYBRPNUOMZKAS-QXEWZRGKSA-N 1 2 227.304 1.380 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)C(F)F ZINC000786702959 585896640 /nfs/dbraw/zinc/89/66/40/585896640.db2.gz GOIZEQIWDLVVDA-UHFFFAOYSA-N 1 2 225.198 1.216 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1sccc1Cl ZINC000787081790 585900774 /nfs/dbraw/zinc/90/07/74/585900774.db2.gz BUSSCCZXAQEASP-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1sccc1Cl ZINC000787081790 585900775 /nfs/dbraw/zinc/90/07/75/585900775.db2.gz BUSSCCZXAQEASP-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000787308044 585906425 /nfs/dbraw/zinc/90/64/25/585906425.db2.gz NXVLBNZTVLXRNC-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](CCF)C1CC1 ZINC000787350461 585907431 /nfs/dbraw/zinc/90/74/31/585907431.db2.gz CITJDQJIEFPIGU-SNVBAGLBSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](CCF)C1CC1 ZINC000787350461 585907432 /nfs/dbraw/zinc/90/74/32/585907432.db2.gz CITJDQJIEFPIGU-SNVBAGLBSA-N 1 2 217.284 1.762 20 0 BDADLO OCCCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787365781 585907975 /nfs/dbraw/zinc/90/79/75/585907975.db2.gz FPJJVKSOTLENCI-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787365781 585907976 /nfs/dbraw/zinc/90/79/76/585907976.db2.gz FPJJVKSOTLENCI-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO Nc1cc(COC(=O)c2ccccc2O)cc[nH+]1 ZINC000787578092 585912142 /nfs/dbraw/zinc/91/21/42/585912142.db2.gz GOIRNYWZSKBMBL-UHFFFAOYSA-N 1 2 244.250 1.726 20 0 BDADLO OCCCc1cn(-c2cncc(Cl)n2)c[nH+]1 ZINC000788533208 585926540 /nfs/dbraw/zinc/92/65/40/585926540.db2.gz FFIOJBKSPAIVSE-UHFFFAOYSA-N 1 2 238.678 1.241 20 0 BDADLO CCOCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789604318 585945893 /nfs/dbraw/zinc/94/58/93/585945893.db2.gz BDSDYGXQBFDBAF-VIFPVBQESA-N 1 2 216.281 1.090 20 0 BDADLO NC(=[NH+]OCCOCC1CC1)[C@@H]1CCCO1 ZINC000789628393 585947269 /nfs/dbraw/zinc/94/72/69/585947269.db2.gz VWCWUOGTQCJGIR-JTQLQIEISA-N 1 2 228.292 1.090 20 0 BDADLO Cc1noc([C@H](C)O[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000789628494 585947350 /nfs/dbraw/zinc/94/73/50/585947350.db2.gz XVPWMHPLPJIISG-POYBYMJQSA-N 1 2 240.263 1.116 20 0 BDADLO CC(C)CC(=O)OCCc1c[nH+]cn1C ZINC000789773612 585949739 /nfs/dbraw/zinc/94/97/39/585949739.db2.gz YFGUZUPZNOINCG-UHFFFAOYSA-N 1 2 210.277 1.552 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccco1 ZINC000789773195 585949874 /nfs/dbraw/zinc/94/98/74/585949874.db2.gz WEVPEYYZKRYGEY-UHFFFAOYSA-N 1 2 220.228 1.413 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](CN2CCCC2=O)CCO1 ZINC000790431761 585964686 /nfs/dbraw/zinc/96/46/86/585964686.db2.gz UCZIINIRQLFXMP-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](CN2CCCC2=O)CCO1 ZINC000790431761 585964687 /nfs/dbraw/zinc/96/46/87/585964687.db2.gz UCZIINIRQLFXMP-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CC1(C)C[N@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC000790936375 585970819 /nfs/dbraw/zinc/97/08/19/585970819.db2.gz FNGRBVKDIIZFKG-NSHDSACASA-N 1 2 236.315 1.755 20 0 BDADLO CC1(C)C[N@@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC000790936375 585970820 /nfs/dbraw/zinc/97/08/20/585970820.db2.gz FNGRBVKDIIZFKG-NSHDSACASA-N 1 2 236.315 1.755 20 0 BDADLO Cc1cccc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000791574519 585984580 /nfs/dbraw/zinc/98/45/80/585984580.db2.gz QUJYEVRKWBDWMM-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO CCc1n[nH]cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791712464 585986569 /nfs/dbraw/zinc/98/65/69/585986569.db2.gz BNEVKWXQKJOJHD-UHFFFAOYSA-N 1 2 246.270 1.306 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791748868 585987248 /nfs/dbraw/zinc/98/72/48/585987248.db2.gz JHMWTBFGZGUDKU-ZJUUUORDSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1cccn2cc(CC(=O)OC[C@@H](C)O)[nH+]c12 ZINC000791884442 585990088 /nfs/dbraw/zinc/99/00/88/585990088.db2.gz BAQKYGMMAFFEDI-SNVBAGLBSA-N 1 2 248.282 1.109 20 0 BDADLO Cc1nn(C)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791900131 585990920 /nfs/dbraw/zinc/99/09/20/585990920.db2.gz TUDPHLBPOKXVLO-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO Nc1cc(COC(=O)CCc2ccoc2)cc[nH+]1 ZINC000791992832 585992895 /nfs/dbraw/zinc/99/28/95/585992895.db2.gz MRJXWGHGDLWYBS-UHFFFAOYSA-N 1 2 246.266 1.933 20 0 BDADLO COC[C@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792011894 585993464 /nfs/dbraw/zinc/99/34/64/585993464.db2.gz PRSALKOPPIZPEJ-SECBINFHSA-N 1 2 238.287 1.380 20 0 BDADLO Nc1cc(COC(=O)c2ccc(F)cn2)cc[nH+]1 ZINC000792134622 585996428 /nfs/dbraw/zinc/99/64/28/585996428.db2.gz RWYYSVMPJNDYEP-UHFFFAOYSA-N 1 2 247.229 1.555 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793237124 586014826 /nfs/dbraw/zinc/01/48/26/586014826.db2.gz FESXIVZEXPOCMA-NWDGAFQWSA-N 1 2 236.315 1.798 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(F)CCCC1 ZINC000793253276 586015004 /nfs/dbraw/zinc/01/50/04/586015004.db2.gz OIGHLFDTAJAKTQ-UHFFFAOYSA-N 1 2 240.278 1.788 20 0 BDADLO C/C=C(\C)C(=O)OCCc1c[nH+]cn1C ZINC000793253086 586015006 /nfs/dbraw/zinc/01/50/06/586015006.db2.gz WRBUTIVNOMAASN-RUDMXATFSA-N 1 2 208.261 1.472 20 0 BDADLO CCC1(C(=O)OCCc2c[nH+]cn2C)CC1 ZINC000793258171 586015438 /nfs/dbraw/zinc/01/54/38/586015438.db2.gz JUPLXKBAHUZQKD-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO Cn1cc(C[NH+]2CCC(F)(F)CC2)nn1 ZINC000793353841 586017227 /nfs/dbraw/zinc/01/72/27/586017227.db2.gz WJUSLALDMPJSGB-UHFFFAOYSA-N 1 2 216.235 1.046 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OC[C@@H]1CCCO1 ZINC000794521895 586041936 /nfs/dbraw/zinc/04/19/36/586041936.db2.gz RMVYBLBXFPFMJZ-VIFPVBQESA-N 1 2 230.308 1.479 20 0 BDADLO C[C@]12CC[N@@H+]([C@@H]3CCOC3=O)C[C@H]1C2(F)F ZINC000794606326 586045630 /nfs/dbraw/zinc/04/56/30/586045630.db2.gz OBDOYIFNXASORY-MRTMQBJTSA-N 1 2 231.242 1.279 20 0 BDADLO C[C@]12CC[N@H+]([C@@H]3CCOC3=O)C[C@H]1C2(F)F ZINC000794606326 586045631 /nfs/dbraw/zinc/04/56/31/586045631.db2.gz OBDOYIFNXASORY-MRTMQBJTSA-N 1 2 231.242 1.279 20 0 BDADLO C[C@]12CC[N@@H+]([C@H]3CCOC3=O)C[C@H]1C2(F)F ZINC000794606331 586045637 /nfs/dbraw/zinc/04/56/37/586045637.db2.gz OBDOYIFNXASORY-XKSSXDPKSA-N 1 2 231.242 1.279 20 0 BDADLO C[C@]12CC[N@H+]([C@H]3CCOC3=O)C[C@H]1C2(F)F ZINC000794606331 586045638 /nfs/dbraw/zinc/04/56/38/586045638.db2.gz OBDOYIFNXASORY-XKSSXDPKSA-N 1 2 231.242 1.279 20 0 BDADLO COCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000794639171 586046064 /nfs/dbraw/zinc/04/60/64/586046064.db2.gz UUGCXKHUAGQTQN-UHFFFAOYSA-N 1 2 234.255 1.332 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H]2C[C@H]21 ZINC000794797738 586049190 /nfs/dbraw/zinc/04/91/90/586049190.db2.gz VPCNPLFLQNAUBP-WDEREUQCSA-N 1 2 234.303 1.077 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1F)c1nccn1C ZINC000794833574 586049623 /nfs/dbraw/zinc/04/96/23/586049623.db2.gz GRPSINMLIUEODH-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cnns1 ZINC000859300561 589027778 /nfs/dbraw/zinc/02/77/78/589027778.db2.gz AUVQYPILCQWJAS-SSDOTTSWSA-N 1 2 201.295 1.005 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cnns1 ZINC000859300561 589027780 /nfs/dbraw/zinc/02/77/80/589027780.db2.gz AUVQYPILCQWJAS-SSDOTTSWSA-N 1 2 201.295 1.005 20 0 BDADLO c1nc(CN2CCc3[nH+]c[nH]c3C2)cs1 ZINC000859307857 589029611 /nfs/dbraw/zinc/02/96/11/589029611.db2.gz AYFXBRDBTWSMRJ-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO CCCCOC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000859308823 589029718 /nfs/dbraw/zinc/02/97/18/589029718.db2.gz UJTPUSAYNBZQSI-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCCOC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000859308658 589029732 /nfs/dbraw/zinc/02/97/32/589029732.db2.gz OQEJORLLUUEHTI-VIFPVBQESA-N 1 2 237.303 1.110 20 0 BDADLO FC(F)C(F)(F)CN1CCc2[nH+]c[nH]c2C1 ZINC000859308110 589029835 /nfs/dbraw/zinc/02/98/35/589029835.db2.gz GKUUZLXHKXYSSJ-UHFFFAOYSA-N 1 2 237.200 1.668 20 0 BDADLO Cc1cncc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000795686268 586091060 /nfs/dbraw/zinc/09/10/60/586091060.db2.gz VUSMYOCITLWAQF-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cncc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000795686268 586091061 /nfs/dbraw/zinc/09/10/61/586091061.db2.gz VUSMYOCITLWAQF-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)nc1 ZINC000795710285 586091383 /nfs/dbraw/zinc/09/13/83/586091383.db2.gz NKDIBPXYRGJVFO-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)nc1 ZINC000795710285 586091384 /nfs/dbraw/zinc/09/13/84/586091384.db2.gz NKDIBPXYRGJVFO-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO CCC(=O)CC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000796378074 586102076 /nfs/dbraw/zinc/10/20/76/586102076.db2.gz SDDXGMKJHCPFIH-PKWAYOAASA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CC[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000796378074 586102077 /nfs/dbraw/zinc/10/20/77/586102077.db2.gz SDDXGMKJHCPFIH-PKWAYOAASA-N 1 2 245.388 1.587 20 0 BDADLO CC[C@@H]1C[N@H+](CCC(C)=O)C[C@@H](C)[S@@]1=O ZINC000796373273 586102084 /nfs/dbraw/zinc/10/20/84/586102084.db2.gz AHEMUGUKJJGNDV-HFAKWTLXSA-N 1 2 231.361 1.197 20 0 BDADLO CC[C@@H]1C[N@@H+](CCC(C)=O)C[C@@H](C)[S@@]1=O ZINC000796373273 586102085 /nfs/dbraw/zinc/10/20/85/586102085.db2.gz AHEMUGUKJJGNDV-HFAKWTLXSA-N 1 2 231.361 1.197 20 0 BDADLO CON(CC(C)(C)C)[C@@H](C)C[NH+]1CCOCC1 ZINC000796470159 586104704 /nfs/dbraw/zinc/10/47/04/586104704.db2.gz BHOMWSPIBQYQFD-LBPRGKRZSA-N 1 2 244.379 1.617 20 0 BDADLO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000796480377 586105147 /nfs/dbraw/zinc/10/51/47/586105147.db2.gz DIFQLQLECVPKDF-FZMZJTMJSA-N 1 2 245.326 1.930 20 0 BDADLO CC(C)(C)OCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000796585153 586108051 /nfs/dbraw/zinc/10/80/51/586108051.db2.gz GQVLTMMQKGPJRW-UHFFFAOYSA-N 1 2 239.319 1.621 20 0 BDADLO CC(C)(C)OCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000796585153 586108052 /nfs/dbraw/zinc/10/80/52/586108052.db2.gz GQVLTMMQKGPJRW-UHFFFAOYSA-N 1 2 239.319 1.621 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000796642113 586108784 /nfs/dbraw/zinc/10/87/84/586108784.db2.gz YJIQWWODXUWWKR-SECBINFHSA-N 1 2 241.335 1.834 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000796642113 586108785 /nfs/dbraw/zinc/10/87/85/586108785.db2.gz YJIQWWODXUWWKR-SECBINFHSA-N 1 2 241.335 1.834 20 0 BDADLO C[C@H](N[C@@H](C)c1[nH]cc[nH+]1)c1nnnn1C1CC1 ZINC000796964731 586118033 /nfs/dbraw/zinc/11/80/33/586118033.db2.gz JQMIVOWWJRTSAM-YUMQZZPRSA-N 1 2 247.306 1.143 20 0 BDADLO O=C(NCCF)c1cccc2[nH+]ccn21 ZINC000798058541 586136043 /nfs/dbraw/zinc/13/60/43/586136043.db2.gz CULIZODRJUJUSI-UHFFFAOYSA-N 1 2 207.208 1.034 20 0 BDADLO C[N@H+](CC[S@](C)=O)Cc1ccccc1F ZINC000798194510 586139273 /nfs/dbraw/zinc/13/92/73/586139273.db2.gz FTJKBAXWKBZAQC-HNNXBMFYSA-N 1 2 229.320 1.636 20 0 BDADLO C[N@@H+](CC[S@](C)=O)Cc1ccccc1F ZINC000798194510 586139274 /nfs/dbraw/zinc/13/92/74/586139274.db2.gz FTJKBAXWKBZAQC-HNNXBMFYSA-N 1 2 229.320 1.636 20 0 BDADLO Fc1cc(C[N@H+](C2CC2)C2COC2)ccn1 ZINC000859320410 589031152 /nfs/dbraw/zinc/03/11/52/589031152.db2.gz ZAEDLSSEMBKVEK-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1cc(C[N@@H+](C2CC2)C2COC2)ccn1 ZINC000859320410 589031154 /nfs/dbraw/zinc/03/11/54/589031154.db2.gz ZAEDLSSEMBKVEK-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000799159104 586162997 /nfs/dbraw/zinc/16/29/97/586162997.db2.gz XHLJBDYMYSLCCI-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000799159104 586162998 /nfs/dbraw/zinc/16/29/98/586162998.db2.gz XHLJBDYMYSLCCI-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197461 586166927 /nfs/dbraw/zinc/16/69/27/586166927.db2.gz XWXHWNUDNUZALK-ZYHUDNBSSA-N 1 2 232.283 1.186 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197461 586166929 /nfs/dbraw/zinc/16/69/29/586166929.db2.gz XWXHWNUDNUZALK-ZYHUDNBSSA-N 1 2 232.283 1.186 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197459 586167558 /nfs/dbraw/zinc/16/75/58/586167558.db2.gz XWXHWNUDNUZALK-PWSUYJOCSA-N 1 2 232.283 1.186 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197459 586167559 /nfs/dbraw/zinc/16/75/59/586167559.db2.gz XWXHWNUDNUZALK-PWSUYJOCSA-N 1 2 232.283 1.186 20 0 BDADLO O[C@H](C[N@@H+]1CCC=C(F)C1)c1ccc(F)cn1 ZINC000799312319 586171089 /nfs/dbraw/zinc/17/10/89/586171089.db2.gz SDVDYVZFLRAVAK-GFCCVEGCSA-N 1 2 240.253 1.813 20 0 BDADLO O[C@H](C[N@H+]1CCC=C(F)C1)c1ccc(F)cn1 ZINC000799312319 586171091 /nfs/dbraw/zinc/17/10/91/586171091.db2.gz SDVDYVZFLRAVAK-GFCCVEGCSA-N 1 2 240.253 1.813 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000799373028 586174460 /nfs/dbraw/zinc/17/44/60/586174460.db2.gz ZEERKGSYUQAPNJ-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO Clc1cnn(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000799957435 586203344 /nfs/dbraw/zinc/20/33/44/586203344.db2.gz OLXDUAHNXHLVTG-UHFFFAOYSA-N 1 2 241.722 1.749 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000800523073 586223970 /nfs/dbraw/zinc/22/39/70/586223970.db2.gz HHEVFHCCODWIJK-NEPJUHHUSA-N 1 2 245.363 1.977 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)NCC2(C)C)c(C)o1 ZINC000800539507 586224852 /nfs/dbraw/zinc/22/48/52/586224852.db2.gz ZVJQRAAOCKTRNX-UHFFFAOYSA-N 1 2 236.315 1.607 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)NCC2(C)C)c(C)o1 ZINC000800539507 586224853 /nfs/dbraw/zinc/22/48/53/586224853.db2.gz ZVJQRAAOCKTRNX-UHFFFAOYSA-N 1 2 236.315 1.607 20 0 BDADLO FC(F)[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000801559759 586262848 /nfs/dbraw/zinc/26/28/48/586262848.db2.gz LNZIHELTOTWOFI-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000801559759 586262849 /nfs/dbraw/zinc/26/28/49/586262849.db2.gz LNZIHELTOTWOFI-DTWKUNHWSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCc2ccncc2)CCO1 ZINC000801563444 586263802 /nfs/dbraw/zinc/26/38/02/586263802.db2.gz DBIQVNVLGLLDEU-LLVKDONJSA-N 1 2 242.269 1.590 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCc2ccncc2)CCO1 ZINC000801563444 586263804 /nfs/dbraw/zinc/26/38/04/586263804.db2.gz DBIQVNVLGLLDEU-LLVKDONJSA-N 1 2 242.269 1.590 20 0 BDADLO CCCCOC(=O)CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000801944954 586281330 /nfs/dbraw/zinc/28/13/30/586281330.db2.gz RPTGNGCSASHORV-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CCCCOC(=O)CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000801944954 586281331 /nfs/dbraw/zinc/28/13/31/586281331.db2.gz RPTGNGCSASHORV-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000801944309 586281798 /nfs/dbraw/zinc/28/17/98/586281798.db2.gz RYUUYZKAMHQSGR-WFASDCNBSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000801944309 586281800 /nfs/dbraw/zinc/28/18/00/586281800.db2.gz RYUUYZKAMHQSGR-WFASDCNBSA-N 1 2 247.338 1.939 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/c1ccc[nH]1 ZINC000802098616 586289139 /nfs/dbraw/zinc/28/91/39/586289139.db2.gz UFQDADXSDXAWAJ-SNAWJCMRSA-N 1 2 231.255 1.505 20 0 BDADLO Oc1cccc(C[N@@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802654580 586309211 /nfs/dbraw/zinc/30/92/11/586309211.db2.gz KHTFGNZRXCKVMP-NSHDSACASA-N 1 2 243.253 1.858 20 0 BDADLO Oc1cccc(C[N@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802654580 586309213 /nfs/dbraw/zinc/30/92/13/586309213.db2.gz KHTFGNZRXCKVMP-NSHDSACASA-N 1 2 243.253 1.858 20 0 BDADLO CS/C=C\C(=O)OCCCc1[nH+]ccn1C ZINC000802787944 586314126 /nfs/dbraw/zinc/31/41/26/586314126.db2.gz NNQRSFSRWSYPNK-UITAMQMPSA-N 1 2 240.328 1.773 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1C[C@@H](C)[C@@H](C)C1=O ZINC000839998742 586348627 /nfs/dbraw/zinc/34/86/27/586348627.db2.gz JECXUSSYGUGYCJ-IJLUTSLNSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1C[C@@H](C)[C@@H](C)C1=O ZINC000839998742 586348630 /nfs/dbraw/zinc/34/86/30/586348630.db2.gz JECXUSSYGUGYCJ-IJLUTSLNSA-N 1 2 240.347 1.169 20 0 BDADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839999375 586349104 /nfs/dbraw/zinc/34/91/04/586349104.db2.gz KUSKZIWFWDAFGQ-UTUOFQBUSA-N 1 2 238.331 1.066 20 0 BDADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839999375 586349107 /nfs/dbraw/zinc/34/91/07/586349107.db2.gz KUSKZIWFWDAFGQ-UTUOFQBUSA-N 1 2 238.331 1.066 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)C1CCC1)[NH+](C)C ZINC000803496925 586362200 /nfs/dbraw/zinc/36/22/00/586362200.db2.gz JQGKZGXRBYTUPL-GFCCVEGCSA-N 1 2 241.331 1.485 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1CCC(C)(C)C1=O ZINC000840024288 586383502 /nfs/dbraw/zinc/38/35/02/586383502.db2.gz DLORHECZJCJYBP-UHFFFAOYSA-N 1 2 249.358 1.673 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1CCC(C)(C)C1=O ZINC000840024288 586383504 /nfs/dbraw/zinc/38/35/04/586383504.db2.gz DLORHECZJCJYBP-UHFFFAOYSA-N 1 2 249.358 1.673 20 0 BDADLO C[C@@H]1CCN(C[N@H+](C)Cc2cccn2C)C1=O ZINC000840028815 586384145 /nfs/dbraw/zinc/38/41/45/586384145.db2.gz YXDVLGHIXVYISL-LLVKDONJSA-N 1 2 235.331 1.283 20 0 BDADLO C[C@@H]1CCN(C[N@@H+](C)Cc2cccn2C)C1=O ZINC000840028815 586384147 /nfs/dbraw/zinc/38/41/47/586384147.db2.gz YXDVLGHIXVYISL-LLVKDONJSA-N 1 2 235.331 1.283 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333445 586391665 /nfs/dbraw/zinc/39/16/65/586391665.db2.gz ZZRHVSKHQAMFJK-SNVBAGLBSA-N 1 2 219.288 1.280 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804338029 586392147 /nfs/dbraw/zinc/39/21/47/586392147.db2.gz GRPFHDUKMPTOKJ-GXSJLCMTSA-N 1 2 239.294 1.308 20 0 BDADLO CC(C)[C@H]1C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840043576 586393103 /nfs/dbraw/zinc/39/31/03/586393103.db2.gz ULVKFXWSKZCESO-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840043576 586393104 /nfs/dbraw/zinc/39/31/04/586393104.db2.gz ULVKFXWSKZCESO-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cn1cccnc1=S ZINC000840084547 586424079 /nfs/dbraw/zinc/42/40/79/586424079.db2.gz UHKXJZWIBDTTFB-SECBINFHSA-N 1 2 225.317 1.291 20 0 BDADLO COC[C@H]1CC[N@H+]1Cn1cccnc1=S ZINC000840084547 586424081 /nfs/dbraw/zinc/42/40/81/586424081.db2.gz UHKXJZWIBDTTFB-SECBINFHSA-N 1 2 225.317 1.291 20 0 BDADLO CC[NH2+]Cc1noc(Cn2nc(C)cc2C)n1 ZINC000843145809 586445881 /nfs/dbraw/zinc/44/58/81/586445881.db2.gz XBGLTCDMLZHZAP-UHFFFAOYSA-N 1 2 235.291 1.041 20 0 BDADLO CC1(C)CCN(C[N@@H+]2CC[C@H](F)C2)C1=O ZINC000840102528 586446479 /nfs/dbraw/zinc/44/64/79/586446479.db2.gz NJEWCIJZRBRFBI-VIFPVBQESA-N 1 2 214.284 1.246 20 0 BDADLO CC1(C)CCN(C[N@H+]2CC[C@H](F)C2)C1=O ZINC000840102528 586446481 /nfs/dbraw/zinc/44/64/81/586446481.db2.gz NJEWCIJZRBRFBI-VIFPVBQESA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000840102658 586446731 /nfs/dbraw/zinc/44/67/31/586446731.db2.gz ADVVNEOQEMGDCR-VHSXEESVSA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](F)C2)C1 ZINC000840102658 586446733 /nfs/dbraw/zinc/44/67/33/586446733.db2.gz ADVVNEOQEMGDCR-VHSXEESVSA-N 1 2 214.284 1.246 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000840105378 586447357 /nfs/dbraw/zinc/44/73/57/586447357.db2.gz YCOHWHPUDPLVBL-GHMZBOCLSA-N 1 2 228.311 1.636 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](F)C2)C1 ZINC000840105378 586447359 /nfs/dbraw/zinc/44/73/59/586447359.db2.gz YCOHWHPUDPLVBL-GHMZBOCLSA-N 1 2 228.311 1.636 20 0 BDADLO O=C1[C@H]2CCCCC[C@@H]2N1C[N@H+]1CC[C@H](F)C1 ZINC000840114767 586448738 /nfs/dbraw/zinc/44/87/38/586448738.db2.gz RWMQCSNCTJGAIB-SRVKXCTJSA-N 1 2 240.322 1.779 20 0 BDADLO O=C1[C@H]2CCCCC[C@@H]2N1C[N@@H+]1CC[C@H](F)C1 ZINC000840114767 586448739 /nfs/dbraw/zinc/44/87/39/586448739.db2.gz RWMQCSNCTJGAIB-SRVKXCTJSA-N 1 2 240.322 1.779 20 0 BDADLO c1cn(Cc2cnnn2-c2ccccc2)c[nH+]1 ZINC000808030579 586460204 /nfs/dbraw/zinc/46/02/04/586460204.db2.gz ZRGVXZIPZVZMHX-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(C)(F)F)C[C@H]1C ZINC000808465014 586474216 /nfs/dbraw/zinc/47/42/16/586474216.db2.gz FHAZNCZFWMGNBL-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(C)(F)F)C[C@H]1C ZINC000808465014 586474217 /nfs/dbraw/zinc/47/42/17/586474217.db2.gz FHAZNCZFWMGNBL-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ocnc1C1CC1 ZINC000808682380 586482523 /nfs/dbraw/zinc/48/25/23/586482523.db2.gz RNGDVIGUUMIHIC-UHFFFAOYSA-N 1 2 247.254 1.606 20 0 BDADLO CC(C)C(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000808715145 586484094 /nfs/dbraw/zinc/48/40/94/586484094.db2.gz ANCFMXLICVHSEJ-UHFFFAOYSA-N 1 2 243.347 1.875 20 0 BDADLO CC(C)C(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000808715145 586484096 /nfs/dbraw/zinc/48/40/96/586484096.db2.gz ANCFMXLICVHSEJ-UHFFFAOYSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)C[N@H+](CCC(=O)C(C)C)C1CC1 ZINC000808731590 586485120 /nfs/dbraw/zinc/48/51/20/586485120.db2.gz ANGSWUJXMPZWQW-UHFFFAOYSA-N 1 2 227.304 1.239 20 0 BDADLO COC(=O)C[N@@H+](CCC(=O)C(C)C)C1CC1 ZINC000808731590 586485121 /nfs/dbraw/zinc/48/51/21/586485121.db2.gz ANGSWUJXMPZWQW-UHFFFAOYSA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000808734188 586485550 /nfs/dbraw/zinc/48/55/50/586485550.db2.gz OAOGAXUPRAJIGH-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000808734188 586485551 /nfs/dbraw/zinc/48/55/51/586485551.db2.gz OAOGAXUPRAJIGH-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000808756436 586489097 /nfs/dbraw/zinc/48/90/97/586489097.db2.gz LWWMATIKSRQXMN-ZDUSSCGKSA-N 1 2 241.331 1.093 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000808756436 586489098 /nfs/dbraw/zinc/48/90/98/586489098.db2.gz LWWMATIKSRQXMN-ZDUSSCGKSA-N 1 2 241.331 1.093 20 0 BDADLO COc1ccc(C)cc1C[NH2+]Cc1nonc1C ZINC000809745264 586516329 /nfs/dbraw/zinc/51/63/29/586516329.db2.gz PNCPQVCDPXDBPP-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COc1cc(C[NH2+]Cc2nonc2C)ccc1C ZINC000809745037 586516341 /nfs/dbraw/zinc/51/63/41/586516341.db2.gz KSICIJHANXCTCL-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1nonc1C[NH2+]Cc1nc(C)ccc1O ZINC000809745389 586516476 /nfs/dbraw/zinc/51/64/76/586516476.db2.gz SGCPYKJEYYONJK-UHFFFAOYSA-N 1 2 234.259 1.077 20 0 BDADLO Cn1ncc(C[NH2+]C2(c3ccc(F)cc3)CC2)n1 ZINC000809961695 586526962 /nfs/dbraw/zinc/52/69/62/586526962.db2.gz ZHCTZHPRDQLYHH-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO Cc1ccccc1CC(N)=[NH+]OCC(=O)N(C)C ZINC000809996262 586530195 /nfs/dbraw/zinc/53/01/95/586530195.db2.gz CPGGOKDLVFJITJ-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO C[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC[N@@H+]1C ZINC000810442387 586539072 /nfs/dbraw/zinc/53/90/72/586539072.db2.gz QZUKPHZZGUCXDV-BQBZGAKWSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC[N@H+]1C ZINC000810442387 586539073 /nfs/dbraw/zinc/53/90/73/586539073.db2.gz QZUKPHZZGUCXDV-BQBZGAKWSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000810442387 586539074 /nfs/dbraw/zinc/53/90/74/586539074.db2.gz QZUKPHZZGUCXDV-BQBZGAKWSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000810442387 586539075 /nfs/dbraw/zinc/53/90/75/586539075.db2.gz QZUKPHZZGUCXDV-BQBZGAKWSA-N 1 2 242.216 1.049 20 0 BDADLO CCc1c(C(=O)OCc2c[nH+]cn2C)ccn1C ZINC000810602095 586542165 /nfs/dbraw/zinc/54/21/65/586542165.db2.gz LSABMZRDQVSBAT-UHFFFAOYSA-N 1 2 247.298 1.678 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000810754225 586546320 /nfs/dbraw/zinc/54/63/20/586546320.db2.gz UMASBXAIWHGSFX-SECBINFHSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)[nH]1 ZINC000811588791 586561644 /nfs/dbraw/zinc/56/16/44/586561644.db2.gz WDHIUVPPRCYENW-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)NCc2c[nH+]cn2C)C1 ZINC000811588769 586561748 /nfs/dbraw/zinc/56/17/48/586561748.db2.gz VJWUETCKYOPAOT-CHPNCVJKSA-N 1 2 233.315 1.783 20 0 BDADLO CCCCSCC(=O)NCc1c[nH+]cn1C ZINC000811589315 586561763 /nfs/dbraw/zinc/56/17/63/586561763.db2.gz RQFGJPIHIYXKSX-UHFFFAOYSA-N 1 2 241.360 1.570 20 0 BDADLO C[C@H](COc1ccccc1)[NH2+]NC1=[NH+]C=C([O-])C1 ZINC000811667478 586565017 /nfs/dbraw/zinc/56/50/17/586565017.db2.gz WGRYUQBSESRWIW-SNVBAGLBSA-N 1 2 247.298 1.402 20 0 BDADLO CCN(CC(=O)NC)c1[nH]c2ccccc2[nH+]1 ZINC000811810558 586567330 /nfs/dbraw/zinc/56/73/30/586567330.db2.gz RGGHAHPVJMIXQK-UHFFFAOYSA-N 1 2 232.287 1.135 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NOC1CCC1 ZINC000812317563 586573516 /nfs/dbraw/zinc/57/35/16/586573516.db2.gz KCTDGFGWNNIUDV-VIFPVBQESA-N 1 2 238.291 1.055 20 0 BDADLO CC[C@@H](C)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842657001 586588955 /nfs/dbraw/zinc/58/89/55/586588955.db2.gz QTBFFGMDPSHMQM-MNOVXSKESA-N 1 2 244.335 1.727 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccnc2C)[nH]1 ZINC000813331940 586600502 /nfs/dbraw/zinc/60/05/02/586600502.db2.gz YDFQEUGYSMYIJO-SECBINFHSA-N 1 2 231.303 1.667 20 0 BDADLO Cc1c(CNc2cc(N(C)C)nc[nH+]2)cnn1C ZINC000813354954 586600957 /nfs/dbraw/zinc/60/09/57/586600957.db2.gz QACFYWPLZNHPIX-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO Cc1c(CNc2cc(N(C)C)[nH+]cn2)cnn1C ZINC000813354954 586600958 /nfs/dbraw/zinc/60/09/58/586600958.db2.gz QACFYWPLZNHPIX-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO Cc1cnccc1SCC[NH+]1CCOCC1 ZINC000814805954 586636394 /nfs/dbraw/zinc/63/63/94/586636394.db2.gz MDZYVJWWFOXSQI-UHFFFAOYSA-N 1 2 238.356 1.814 20 0 BDADLO Nc1cc(COC(=O)c2cc(C=O)c[nH]2)cc[nH+]1 ZINC000815255830 586676119 /nfs/dbraw/zinc/67/61/19/586676119.db2.gz CSJQXRIFFVYBLG-UHFFFAOYSA-N 1 2 245.238 1.161 20 0 BDADLO C[C@H]1CN(C(=O)c2sccc2F)CC[N@@H+]1C ZINC000815700481 586692013 /nfs/dbraw/zinc/69/20/13/586692013.db2.gz JMELCWNNSKVGLF-QMMMGPOBSA-N 1 2 242.319 1.663 20 0 BDADLO C[C@H]1CN(C(=O)c2sccc2F)CC[N@H+]1C ZINC000815700481 586692014 /nfs/dbraw/zinc/69/20/14/586692014.db2.gz JMELCWNNSKVGLF-QMMMGPOBSA-N 1 2 242.319 1.663 20 0 BDADLO Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)C(=O)[O-])n2c1 ZINC000859807761 589061955 /nfs/dbraw/zinc/06/19/55/589061955.db2.gz DHRNFPRMQUKJLA-UHFFFAOYSA-N 1 2 247.298 1.596 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnn(C)c1Cl ZINC000816637006 586745521 /nfs/dbraw/zinc/74/55/21/586745521.db2.gz OGWYTGOHTKTDCF-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnn(C)c1Cl ZINC000816637006 586745523 /nfs/dbraw/zinc/74/55/23/586745523.db2.gz OGWYTGOHTKTDCF-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO C[N@H+](CCF)Cc1[nH]nc2ccccc21 ZINC000816639944 586746624 /nfs/dbraw/zinc/74/66/24/586746624.db2.gz MGQGMONOSPCNGI-UHFFFAOYSA-N 1 2 207.252 1.964 20 0 BDADLO C[N@@H+](CCF)Cc1[nH]nc2ccccc21 ZINC000816639944 586746627 /nfs/dbraw/zinc/74/66/27/586746627.db2.gz MGQGMONOSPCNGI-UHFFFAOYSA-N 1 2 207.252 1.964 20 0 BDADLO C[N@H+](CCF)Cc1n[nH]c2ccccc21 ZINC000816639944 586746630 /nfs/dbraw/zinc/74/66/30/586746630.db2.gz MGQGMONOSPCNGI-UHFFFAOYSA-N 1 2 207.252 1.964 20 0 BDADLO C[N@@H+](CCF)Cc1n[nH]c2ccccc21 ZINC000816639944 586746631 /nfs/dbraw/zinc/74/66/31/586746631.db2.gz MGQGMONOSPCNGI-UHFFFAOYSA-N 1 2 207.252 1.964 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC1=CCCCC1 ZINC000816809358 586765603 /nfs/dbraw/zinc/76/56/03/586765603.db2.gz UUIKHRXVGFJQKH-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO Cc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816820982 586765983 /nfs/dbraw/zinc/76/59/83/586765983.db2.gz HZZNODMUYIZCFT-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2sccc2C1 ZINC000816836920 586767382 /nfs/dbraw/zinc/76/73/82/586767382.db2.gz DYRGUBANDUODKP-UHFFFAOYSA-N 1 2 247.323 1.599 20 0 BDADLO CC(C)CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816839444 586767660 /nfs/dbraw/zinc/76/76/60/586767660.db2.gz FUPAPCCFHYVTAW-SNVBAGLBSA-N 1 2 223.320 1.893 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nc(C2CC2)cs1 ZINC000816858427 586768410 /nfs/dbraw/zinc/76/84/10/586768410.db2.gz OFLSYRLZSTZXFB-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000816940610 586772346 /nfs/dbraw/zinc/77/23/46/586772346.db2.gz IKLVNEZJBDNZLM-IUCAKERBSA-N 1 2 207.277 1.067 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816945802 586773047 /nfs/dbraw/zinc/77/30/47/586773047.db2.gz PSVYAIJFLJZYBX-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1(C2CC2)CCC1 ZINC000816954099 586773788 /nfs/dbraw/zinc/77/37/88/586773788.db2.gz SVLNSRRXFGLPRB-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO CN(C)c1cccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000816967644 586775099 /nfs/dbraw/zinc/77/50/99/586775099.db2.gz QUUWLKSGJWBNQE-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO C[C@]1(C(=O)OCCCn2cc[nH+]c2)CC1(F)F ZINC000817252342 586791013 /nfs/dbraw/zinc/79/10/13/586791013.db2.gz PZKYZMBJGSFFFC-SNVBAGLBSA-N 1 2 244.241 1.862 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000817288064 586793664 /nfs/dbraw/zinc/79/36/64/586793664.db2.gz GQOGTULKQONLAQ-QWRGUYRKSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000817288064 586793667 /nfs/dbraw/zinc/79/36/67/586793667.db2.gz GQOGTULKQONLAQ-QWRGUYRKSA-N 1 2 229.320 1.031 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)CC1(F)F ZINC000817720510 586820416 /nfs/dbraw/zinc/82/04/16/586820416.db2.gz SWTYWVZUPVBZJP-VIFPVBQESA-N 1 2 230.214 1.509 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000817733340 586822725 /nfs/dbraw/zinc/82/27/25/586822725.db2.gz ZWEVAWLSZCYSBS-ZJUUUORDSA-N 1 2 227.279 1.374 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000817733340 586822728 /nfs/dbraw/zinc/82/27/28/586822728.db2.gz ZWEVAWLSZCYSBS-ZJUUUORDSA-N 1 2 227.279 1.374 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)Cc1cccnc1)C1CC1 ZINC000818080091 586871038 /nfs/dbraw/zinc/87/10/38/586871038.db2.gz NQNDWEZVZQEOOE-LBPRGKRZSA-N 1 2 249.314 1.548 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccncc2)n1 ZINC000818116432 586875018 /nfs/dbraw/zinc/87/50/18/586875018.db2.gz KQWPJPGZRUCEIO-JTQLQIEISA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccnn2CC)n1 ZINC000818220945 586879353 /nfs/dbraw/zinc/87/93/53/586879353.db2.gz KZOILTIPPOPAAW-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO C[C@@H](F)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000818297839 586884865 /nfs/dbraw/zinc/88/48/65/586884865.db2.gz LIWTYFHGPURHGW-SECBINFHSA-N 1 2 235.262 1.812 20 0 BDADLO COc1cccc2c1C[N@H+](CC[S@@](C)=O)C2 ZINC000859940092 589072686 /nfs/dbraw/zinc/07/26/86/589072686.db2.gz YACOJLPETXDJBN-MRXNPFEDSA-N 1 2 239.340 1.389 20 0 BDADLO COc1cccc2c1C[N@@H+](CC[S@@](C)=O)C2 ZINC000859940092 589072688 /nfs/dbraw/zinc/07/26/88/589072688.db2.gz YACOJLPETXDJBN-MRXNPFEDSA-N 1 2 239.340 1.389 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819332426 586953038 /nfs/dbraw/zinc/95/30/38/586953038.db2.gz RSIZBOZJXWBIOL-SECBINFHSA-N 1 2 234.221 1.499 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C(F)=C1CCC1 ZINC000819345765 586954934 /nfs/dbraw/zinc/95/49/34/586954934.db2.gz MWHICVIEPNTWFW-UHFFFAOYSA-N 1 2 223.251 1.742 20 0 BDADLO Cc1cc(NC[C@@H](C)O)ccc1[NH+](C)C ZINC000819408011 586962175 /nfs/dbraw/zinc/96/21/75/586962175.db2.gz HKOBGOPOCRDTLV-SNVBAGLBSA-N 1 2 208.305 1.854 20 0 BDADLO O=C(N[C@@H]1CC12CC2)c1cccc2[nH+]ccn21 ZINC000819625009 586982361 /nfs/dbraw/zinc/98/23/61/586982361.db2.gz CCMWJNHZEJWWQV-SNVBAGLBSA-N 1 2 227.267 1.617 20 0 BDADLO COCCC[C@@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819778142 586993212 /nfs/dbraw/zinc/99/32/12/586993212.db2.gz YCXQGTSHQWIRAC-RKDXNWHRSA-N 1 2 244.360 1.657 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000819895859 587001709 /nfs/dbraw/zinc/00/17/09/587001709.db2.gz QVCXDYVCABQOED-VIFPVBQESA-N 1 2 233.271 1.239 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000819895859 587001711 /nfs/dbraw/zinc/00/17/11/587001711.db2.gz QVCXDYVCABQOED-VIFPVBQESA-N 1 2 233.271 1.239 20 0 BDADLO CC(C)C[C@@H](C[NH2+][C@H](C)CC(=O)[O-])[NH+](C)C ZINC000819966938 587008380 /nfs/dbraw/zinc/00/83/80/587008380.db2.gz IBGGAZRYVOQYRJ-MNOVXSKESA-N 1 2 230.352 1.416 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000820077532 587018477 /nfs/dbraw/zinc/01/84/77/587018477.db2.gz CPBSLPSBOBAVPV-KXUCPTDWSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000820077532 587018478 /nfs/dbraw/zinc/01/84/78/587018478.db2.gz CPBSLPSBOBAVPV-KXUCPTDWSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820238076 587037692 /nfs/dbraw/zinc/03/76/92/587037692.db2.gz JSRLXRNEAWYPBD-MXWKQRLJSA-N 1 2 237.303 1.239 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820238076 587037694 /nfs/dbraw/zinc/03/76/94/587037694.db2.gz JSRLXRNEAWYPBD-MXWKQRLJSA-N 1 2 237.303 1.239 20 0 BDADLO CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000820419334 587047525 /nfs/dbraw/zinc/04/75/25/587047525.db2.gz XKJGRUPBVSMYCN-SNVBAGLBSA-N 1 2 233.271 1.287 20 0 BDADLO Cc1ncoc1CNc1[nH+]cnc2c1cnn2C ZINC000820592112 587057210 /nfs/dbraw/zinc/05/72/10/587057210.db2.gz WGSKXBXHYWSLJP-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cc(C)no2)on1 ZINC000820810225 587074485 /nfs/dbraw/zinc/07/44/85/587074485.db2.gz RRLKOWAFEDTYKK-QMMMGPOBSA-N 1 2 237.259 1.830 20 0 BDADLO Cn1c[nH+]cc1CN1Cc2ccncc2C1 ZINC000821262536 587104198 /nfs/dbraw/zinc/10/41/98/587104198.db2.gz VWMQOIBYWUAFDG-UHFFFAOYSA-N 1 2 214.272 1.331 20 0 BDADLO O=C(C[C@@H]1CC=CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821385692 587115271 /nfs/dbraw/zinc/11/52/71/587115271.db2.gz NFMZXXBGDHHGMH-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(NC12CCC(CC1)C2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821862239 587144512 /nfs/dbraw/zinc/14/45/12/587144512.db2.gz QJMSNGNRMLEJHU-JXRVJTEKSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(NC12CCC(CC1)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821862239 587144513 /nfs/dbraw/zinc/14/45/13/587144513.db2.gz QJMSNGNRMLEJHU-JXRVJTEKSA-N 1 2 245.326 1.962 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC2(C3(C)CC3)CC2)c1 ZINC000821880497 587145244 /nfs/dbraw/zinc/14/52/44/587145244.db2.gz NSHGNNARGZJUSC-ONEGZZNKSA-N 1 2 245.326 1.882 20 0 BDADLO CCC1CN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000822309625 587161354 /nfs/dbraw/zinc/16/13/54/587161354.db2.gz AZVZSSSNAWWGCW-SNAWJCMRSA-N 1 2 219.288 1.302 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC(C(C)(C)C)C2)c1 ZINC000822318795 587161872 /nfs/dbraw/zinc/16/18/72/587161872.db2.gz XFILQPHYPUBWHD-AATRIKPKSA-N 1 2 247.342 1.938 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1Cc2ccccc21 ZINC000822672149 587180341 /nfs/dbraw/zinc/18/03/41/587180341.db2.gz QMNQCUDKEACKNU-NSHDSACASA-N 1 2 241.294 1.408 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@H]3C[C@H]32)[nH+]1 ZINC000822857839 587189762 /nfs/dbraw/zinc/18/97/62/587189762.db2.gz UESKMRASRYLKMT-GXSJLCMTSA-N 1 2 233.315 1.526 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000822857840 587189977 /nfs/dbraw/zinc/18/99/77/587189977.db2.gz UESKMRASRYLKMT-KOLCDFICSA-N 1 2 233.315 1.526 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC000822926764 587194058 /nfs/dbraw/zinc/19/40/58/587194058.db2.gz PXITYIAUIRWPDV-GHMZBOCLSA-N 1 2 235.331 1.781 20 0 BDADLO O=C1OCC[C@@H]1CC[N@@H+]1Cc2cccnc2C1 ZINC000823006255 587197602 /nfs/dbraw/zinc/19/76/02/587197602.db2.gz FKFQVUROIPRARV-JTQLQIEISA-N 1 2 232.283 1.350 20 0 BDADLO O=C1OCC[C@@H]1CC[N@H+]1Cc2cccnc2C1 ZINC000823006255 587197603 /nfs/dbraw/zinc/19/76/03/587197603.db2.gz FKFQVUROIPRARV-JTQLQIEISA-N 1 2 232.283 1.350 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000823399484 587219678 /nfs/dbraw/zinc/21/96/78/587219678.db2.gz GKNVTGALADNDSN-SNVBAGLBSA-N 1 2 240.376 1.544 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000823399484 587219681 /nfs/dbraw/zinc/21/96/81/587219681.db2.gz GKNVTGALADNDSN-SNVBAGLBSA-N 1 2 240.376 1.544 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cc(C)oc2C)[nH]1 ZINC000824445771 587270889 /nfs/dbraw/zinc/27/08/89/587270889.db2.gz NDTHJTBVQKUJAR-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CCC1(CC(=O)N(C)Cc2c[nH+]c[nH]2)COC1 ZINC000824628556 587280375 /nfs/dbraw/zinc/28/03/75/587280375.db2.gz ICDYEGDAAULDLW-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCC1(CC(=O)N(C)Cc2c[nH]c[nH+]2)COC1 ZINC000824628556 587280376 /nfs/dbraw/zinc/28/03/76/587280376.db2.gz ICDYEGDAAULDLW-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2COC(C)(C)C2)c1 ZINC000824666131 587281900 /nfs/dbraw/zinc/28/19/00/587281900.db2.gz IBZKNKJUUACBCW-ZWNMCFTASA-N 1 2 249.314 1.117 20 0 BDADLO CC(C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000824950677 587294646 /nfs/dbraw/zinc/29/46/46/587294646.db2.gz VZWYYOIIIKGZRT-LLVKDONJSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000825375729 587317490 /nfs/dbraw/zinc/31/74/90/587317490.db2.gz IZDWULXHARFLNA-DGMVEKRQSA-N 1 2 233.315 1.738 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825512618 587322420 /nfs/dbraw/zinc/32/24/20/587322420.db2.gz HMVNRIMRHINEBG-FOGDFJRCSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)C=CCC1 ZINC000825514050 587322642 /nfs/dbraw/zinc/32/26/42/587322642.db2.gz XPQBQUCQYBJWHM-GXFFZTMASA-N 1 2 231.299 1.800 20 0 BDADLO CC(C)(CNC(=O)[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC000825529978 587323669 /nfs/dbraw/zinc/32/36/69/587323669.db2.gz ANSMVIBZUBAAGQ-BXUZGUMPSA-N 1 2 247.342 1.925 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OCC(C)C)CO1 ZINC000825671827 587329919 /nfs/dbraw/zinc/32/99/19/587329919.db2.gz QEBDPLCZUUIPPP-TUAOUCFPSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)[C@@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000825673095 587330714 /nfs/dbraw/zinc/33/07/14/587330714.db2.gz OZHGMOCZICQZQH-PSKZRQQASA-N 1 2 247.342 1.984 20 0 BDADLO Cc1cc[nH+]c(N(C)CC(C)C)c1-c1nn[nH]n1 ZINC000826309644 587352382 /nfs/dbraw/zinc/35/23/82/587352382.db2.gz WSZYKAHXFUCROD-UHFFFAOYSA-N 1 2 246.318 1.662 20 0 BDADLO Cc1cc[nH+]c(NC2CCC2)c1-c1nn[nH]n1 ZINC000826313247 587352513 /nfs/dbraw/zinc/35/25/13/587352513.db2.gz ZGIPHPVXJSASEU-UHFFFAOYSA-N 1 2 230.275 1.535 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826703675 587359539 /nfs/dbraw/zinc/35/95/39/587359539.db2.gz HRXKYANQJKLLMX-BPNCWPANSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826703675 587359540 /nfs/dbraw/zinc/35/95/40/587359540.db2.gz HRXKYANQJKLLMX-BPNCWPANSA-N 1 2 244.338 1.945 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCC=CO1 ZINC000826769183 587361599 /nfs/dbraw/zinc/36/15/99/587361599.db2.gz IPCDDRSHTDLIRM-NSHDSACASA-N 1 2 207.277 1.534 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCC=CO1 ZINC000826769183 587361600 /nfs/dbraw/zinc/36/16/00/587361600.db2.gz IPCDDRSHTDLIRM-NSHDSACASA-N 1 2 207.277 1.534 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826779655 587362066 /nfs/dbraw/zinc/36/20/66/587362066.db2.gz AMWYHDIHVSRDRZ-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826779655 587362067 /nfs/dbraw/zinc/36/20/67/587362067.db2.gz AMWYHDIHVSRDRZ-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO C=Cn1cc(C[N@@H+](CCF)CCOC)cn1 ZINC000827053897 587369209 /nfs/dbraw/zinc/36/92/09/587369209.db2.gz IPIBGNJGCKMVMN-UHFFFAOYSA-N 1 2 227.283 1.402 20 0 BDADLO C=Cn1cc(C[N@H+](CCF)CCOC)cn1 ZINC000827053897 587369210 /nfs/dbraw/zinc/36/92/10/587369210.db2.gz IPIBGNJGCKMVMN-UHFFFAOYSA-N 1 2 227.283 1.402 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000827169026 587371910 /nfs/dbraw/zinc/37/19/10/587371910.db2.gz BNHQHCMUVQLEEK-SECBINFHSA-N 1 2 209.293 1.457 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCc1[nH]cc[nH+]1 ZINC000827299652 587376090 /nfs/dbraw/zinc/37/60/90/587376090.db2.gz QOCCKJWRWBOHLP-LLVKDONJSA-N 1 2 227.283 1.944 20 0 BDADLO CC[C@](C)(O)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000827559483 587387861 /nfs/dbraw/zinc/38/78/61/587387861.db2.gz JSBNNTUOFODZHP-ZDUSSCGKSA-N 1 2 249.314 1.310 20 0 BDADLO Cc1c[nH]c(CNC(=O)C2(C(C)C)COC2)[nH+]1 ZINC000827582263 587389898 /nfs/dbraw/zinc/38/98/98/587389898.db2.gz DCTULURCAAEUOJ-UHFFFAOYSA-N 1 2 237.303 1.007 20 0 BDADLO COC(=O)C[N@H+](CCC(=O)CC(C)C)C1CC1 ZINC000827980665 587414892 /nfs/dbraw/zinc/41/48/92/587414892.db2.gz QXBBBFZUSNHQMH-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)C[N@@H+](CCC(=O)CC(C)C)C1CC1 ZINC000827980665 587414893 /nfs/dbraw/zinc/41/48/93/587414893.db2.gz QXBBBFZUSNHQMH-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO CC1(C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000828412138 587440733 /nfs/dbraw/zinc/44/07/33/587440733.db2.gz ABGZWGCHSYIZIY-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO CC1(C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000828412133 587440770 /nfs/dbraw/zinc/44/07/70/587440770.db2.gz ABGZWGCHSYIZIY-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO CCc1nocc1C(=O)OCCc1c[nH+]cn1C ZINC000860433319 589099973 /nfs/dbraw/zinc/09/99/73/589099973.db2.gz ACSWNWVEPBILOY-UHFFFAOYSA-N 1 2 249.270 1.370 20 0 BDADLO CC[C@@H](C(=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000828595297 587452490 /nfs/dbraw/zinc/45/24/90/587452490.db2.gz VMVHPGFBIIVJQX-NSHDSACASA-N 1 2 237.303 1.383 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000829051699 587480572 /nfs/dbraw/zinc/48/05/72/587480572.db2.gz NEDDSUPBOWZKJZ-UHFFFAOYSA-N 1 2 239.706 1.042 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC(C1CC1)C1CC1 ZINC000829094479 587483114 /nfs/dbraw/zinc/48/31/14/587483114.db2.gz IGJYQPJYGYGJDQ-UHFFFAOYSA-N 1 2 233.315 1.505 20 0 BDADLO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829111085 587483380 /nfs/dbraw/zinc/48/33/80/587483380.db2.gz KQHUYHXFUVDFGS-UHFFFAOYSA-N 1 2 219.288 1.584 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829162242 587485896 /nfs/dbraw/zinc/48/58/96/587485896.db2.gz GFQVHLQRWGNZLG-MRVPVSSYSA-N 1 2 241.722 1.117 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829162242 587485897 /nfs/dbraw/zinc/48/58/97/587485897.db2.gz GFQVHLQRWGNZLG-MRVPVSSYSA-N 1 2 241.722 1.117 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@]2(C)CC2(C)C)c1 ZINC000829175422 587486261 /nfs/dbraw/zinc/48/62/61/587486261.db2.gz QFAVUTMGYBIXOA-GJBLVYBDSA-N 1 2 247.342 1.986 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829176696 587486961 /nfs/dbraw/zinc/48/69/61/587486961.db2.gz WXWHBESHTPGIRB-QMMMGPOBSA-N 1 2 241.722 1.259 20 0 BDADLO C[C@H](O)CC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829176696 587486962 /nfs/dbraw/zinc/48/69/62/587486962.db2.gz WXWHBESHTPGIRB-QMMMGPOBSA-N 1 2 241.722 1.259 20 0 BDADLO CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000829221790 587488797 /nfs/dbraw/zinc/48/87/97/587488797.db2.gz VJZRWOLIOOMVQY-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)[C@@H]3CC34CC4)cc2C1 ZINC000829399009 587495741 /nfs/dbraw/zinc/49/57/41/587495741.db2.gz OXXJZBHGZLPSSU-JTQLQIEISA-N 1 2 246.314 1.067 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)[C@@H]3CC34CC4)cc2C1 ZINC000829399009 587495743 /nfs/dbraw/zinc/49/57/43/587495743.db2.gz OXXJZBHGZLPSSU-JTQLQIEISA-N 1 2 246.314 1.067 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829630097 587506610 /nfs/dbraw/zinc/50/66/10/587506610.db2.gz AZSHKZGZZQTQRL-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H](Cc1ccncc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829720067 587511931 /nfs/dbraw/zinc/51/19/31/587511931.db2.gz QXVAUJIXLPAQCZ-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO CC[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000829987947 587531421 /nfs/dbraw/zinc/53/14/21/587531421.db2.gz LJPHJFGEFDSQPO-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000829987946 587531425 /nfs/dbraw/zinc/53/14/25/587531425.db2.gz LJPHJFGEFDSQPO-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1nonc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000830733934 587565884 /nfs/dbraw/zinc/56/58/84/587565884.db2.gz FPYXGRAQOYKBIR-VIFPVBQESA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nonc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000830733934 587565885 /nfs/dbraw/zinc/56/58/85/587565885.db2.gz FPYXGRAQOYKBIR-VIFPVBQESA-N 1 2 237.303 1.521 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000831204755 587591666 /nfs/dbraw/zinc/59/16/66/587591666.db2.gz JNXROCQXEXDSLC-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000831354115 587600338 /nfs/dbraw/zinc/60/03/38/587600338.db2.gz KCOAAFYJEYHGLP-JGVFFNPUSA-N 1 2 247.220 1.198 20 0 BDADLO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC000831359115 587601094 /nfs/dbraw/zinc/60/10/94/587601094.db2.gz RCIYEECBQJBBTB-GHMZBOCLSA-N 1 2 238.335 1.486 20 0 BDADLO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC000831359115 587601096 /nfs/dbraw/zinc/60/10/96/587601096.db2.gz RCIYEECBQJBBTB-GHMZBOCLSA-N 1 2 238.335 1.486 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1CC=CC1 ZINC000831428323 587606493 /nfs/dbraw/zinc/60/64/93/587606493.db2.gz WDGKMBXLBKSPRU-UHFFFAOYSA-N 1 2 219.288 1.356 20 0 BDADLO CCON(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000831454358 587609213 /nfs/dbraw/zinc/60/92/13/587609213.db2.gz JPKIBMWNNLHKHN-SNVBAGLBSA-N 1 2 225.292 1.634 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000831745741 587629756 /nfs/dbraw/zinc/62/97/56/587629756.db2.gz ZJZLIFISFWMWPH-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1F ZINC000831799563 587632455 /nfs/dbraw/zinc/63/24/55/587632455.db2.gz JFVWHYHGKIXEDY-RKDXNWHRSA-N 1 2 225.267 1.159 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1CC(=O)OCC(C)C ZINC000832615811 587669537 /nfs/dbraw/zinc/66/95/37/587669537.db2.gz FUQCYCOAHRCOGS-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1CC(=O)OCC(C)C ZINC000832615811 587669538 /nfs/dbraw/zinc/66/95/38/587669538.db2.gz FUQCYCOAHRCOGS-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC(Cl)(Cl)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833277489 587703931 /nfs/dbraw/zinc/70/39/31/587703931.db2.gz DGKNIRYTJJINHV-LURJTMIESA-N 1 2 248.113 1.638 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@H]1CCn2cc[nH+]c21 ZINC000833271880 587704001 /nfs/dbraw/zinc/70/40/01/587704001.db2.gz JTQNXZMMHSLTSE-RHYQMDGZSA-N 1 2 245.326 1.880 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000833283806 587704775 /nfs/dbraw/zinc/70/47/75/587704775.db2.gz FIFPZDSSQFTORB-NSHDSACASA-N 1 2 231.299 1.945 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834305355 587750964 /nfs/dbraw/zinc/75/09/64/587750964.db2.gz AXEGUXJZYKFJFM-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO CCn1ccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000834331077 587752140 /nfs/dbraw/zinc/75/21/40/587752140.db2.gz IKELGKDUOCMMQR-UHFFFAOYSA-N 1 2 246.314 1.432 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834847290 587768425 /nfs/dbraw/zinc/76/84/25/587768425.db2.gz GEGTVCSVWUUAGK-UWVGGRQHSA-N 1 2 221.304 1.505 20 0 BDADLO CC[C@H](CO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000834840940 587768459 /nfs/dbraw/zinc/76/84/59/587768459.db2.gz YDHCRVKSTQWLCP-SECBINFHSA-N 1 2 233.271 1.291 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834847291 587768469 /nfs/dbraw/zinc/76/84/69/587768469.db2.gz GEGTVCSVWUUAGK-VHSXEESVSA-N 1 2 221.304 1.505 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000835194125 587788317 /nfs/dbraw/zinc/78/83/17/587788317.db2.gz IUFVBULVFVRMPL-SCVCMEIPSA-N 1 2 234.299 1.900 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)/C=C(\C)CC)C1 ZINC000835319140 587796128 /nfs/dbraw/zinc/79/61/28/587796128.db2.gz GXNFBSODRZKWEK-DHZHZOJOSA-N 1 2 241.331 1.607 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCCn1cc[nH+]c1 ZINC000835350867 587797984 /nfs/dbraw/zinc/79/79/84/587797984.db2.gz UUQBPIQLHYCXER-WOPDTQHZSA-N 1 2 234.299 1.863 20 0 BDADLO CCC(C)(C)c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000867170252 587828038 /nfs/dbraw/zinc/82/80/38/587828038.db2.gz HILGTJRFQLRECG-VIFPVBQESA-N 1 2 239.319 1.760 20 0 BDADLO CCC(C)(C)c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000867170252 587828039 /nfs/dbraw/zinc/82/80/39/587828039.db2.gz HILGTJRFQLRECG-VIFPVBQESA-N 1 2 239.319 1.760 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836196655 587828578 /nfs/dbraw/zinc/82/85/78/587828578.db2.gz LQFLEUOZSJYYNM-UWVGGRQHSA-N 1 2 236.319 1.816 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836284082 587830189 /nfs/dbraw/zinc/83/01/89/587830189.db2.gz GGCPEHQVLNUFAO-OUAUKWLOSA-N 1 2 248.330 1.816 20 0 BDADLO CC1(CCNC(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000836433112 587833055 /nfs/dbraw/zinc/83/30/55/587833055.db2.gz IZLJKBAZHPKVTK-JTQLQIEISA-N 1 2 248.330 1.817 20 0 BDADLO CC1=CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836524830 587834573 /nfs/dbraw/zinc/83/45/73/587834573.db2.gz SVYYZNMHHUBVCS-LLVKDONJSA-N 1 2 246.314 1.690 20 0 BDADLO CC[C@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836516090 587834615 /nfs/dbraw/zinc/83/46/15/587834615.db2.gz HGWUICJXKSEAOG-WDEREUQCSA-N 1 2 248.330 1.912 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836520513 587834650 /nfs/dbraw/zinc/83/46/50/587834650.db2.gz ZOPVETMWIWZEDV-GMTAPVOTSA-N 1 2 248.330 1.768 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867195996 587839889 /nfs/dbraw/zinc/83/98/89/587839889.db2.gz NFYQYHBDFKEBMW-KKZNHRDASA-N 1 2 237.303 1.233 20 0 BDADLO CCc1[nH]ccc1C(=O)OCCc1c[nH+]cn1C ZINC000837721562 587892682 /nfs/dbraw/zinc/89/26/82/587892682.db2.gz CANNPAYGKUKHCR-UHFFFAOYSA-N 1 2 247.298 1.710 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccoc2C)C1 ZINC000840921793 587930326 /nfs/dbraw/zinc/93/03/26/587930326.db2.gz GMXQBVBRZKYUBO-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccoc2C)C1 ZINC000840921793 587930328 /nfs/dbraw/zinc/93/03/28/587930328.db2.gz GMXQBVBRZKYUBO-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1NC2(CCCC2)C(=O)N1C ZINC000841488345 587956495 /nfs/dbraw/zinc/95/64/95/587956495.db2.gz NGNAKFFMNZTGDQ-LLVKDONJSA-N 1 2 248.330 1.276 20 0 BDADLO CCn1nncc1CNc1ccc([NH+](C)C)cc1 ZINC000841850289 587977857 /nfs/dbraw/zinc/97/78/57/587977857.db2.gz JWCNDTFQQHNJLB-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000841876857 587979851 /nfs/dbraw/zinc/97/98/51/587979851.db2.gz IUNMMXXRYMSFOX-WDEREUQCSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCC[C@H](C)O ZINC000842014005 587988932 /nfs/dbraw/zinc/98/89/32/587988932.db2.gz ZJUNOGUZLLLBLY-JTQLQIEISA-N 1 2 222.288 1.612 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)COc1ccccc1 ZINC000842020502 587989599 /nfs/dbraw/zinc/98/95/99/587989599.db2.gz JXPJCDDXTOVZEW-SNVBAGLBSA-N 1 2 238.287 1.335 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)[C@H](C)OCC(C)C)OC ZINC000842033858 587991210 /nfs/dbraw/zinc/99/12/10/587991210.db2.gz ZXNSQAWHMCRUHE-QWRGUYRKSA-N 1 2 246.351 1.971 20 0 BDADLO NC(=[NH+]OCC1CC(F)(F)C1)[C@H]1CCCO1 ZINC000842047496 587992974 /nfs/dbraw/zinc/99/29/74/587992974.db2.gz PIELGILXCVNQFL-MRVPVSSYSA-N 1 2 234.246 1.709 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)CC(C)C ZINC000842046848 587993121 /nfs/dbraw/zinc/99/31/21/587993121.db2.gz HENVNZJQACZHPH-GHMZBOCLSA-N 1 2 244.335 1.725 20 0 BDADLO CC[C@H]([NH2+]CC(=O)NOC)[C@H]1CC1(C)C ZINC000842166569 588005166 /nfs/dbraw/zinc/00/51/66/588005166.db2.gz LWZTWWYCTKPUMO-BDAKNGLRSA-N 1 2 214.309 1.078 20 0 BDADLO CCc1cc(N)nc(SCC[S@](C)=O)[nH+]1 ZINC000842569399 588042967 /nfs/dbraw/zinc/04/29/67/588042967.db2.gz BOZHRABGQHHDFF-HNNXBMFYSA-N 1 2 245.373 1.092 20 0 BDADLO CCCC[N@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842597025 588044730 /nfs/dbraw/zinc/04/47/30/588044730.db2.gz SUPNPZIQZJKSQO-UHFFFAOYSA-N 1 2 240.351 1.317 20 0 BDADLO CCCC[N@@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842597025 588044732 /nfs/dbraw/zinc/04/47/32/588044732.db2.gz SUPNPZIQZJKSQO-UHFFFAOYSA-N 1 2 240.351 1.317 20 0 BDADLO CCC[N@H+](CC)Cn1nc(CC)n(CC)c1=O ZINC000842595142 588044840 /nfs/dbraw/zinc/04/48/40/588044840.db2.gz DPRKQVHXSBQWBD-UHFFFAOYSA-N 1 2 240.351 1.317 20 0 BDADLO CCC[N@@H+](CC)Cn1nc(CC)n(CC)c1=O ZINC000842595142 588044842 /nfs/dbraw/zinc/04/48/42/588044842.db2.gz DPRKQVHXSBQWBD-UHFFFAOYSA-N 1 2 240.351 1.317 20 0 BDADLO CC(C)O[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655344 588050166 /nfs/dbraw/zinc/05/01/66/588050166.db2.gz FCPVFSYMIPLLRQ-VIFPVBQESA-N 1 2 216.281 1.089 20 0 BDADLO NC(COC[C@H]1CCCO1)=[NH+]OCC1CC1 ZINC000842655583 588050228 /nfs/dbraw/zinc/05/02/28/588050228.db2.gz GPTJQQNWFVXGFW-SNVBAGLBSA-N 1 2 228.292 1.090 20 0 BDADLO CC(C)Cn1nccc1C[NH2+]C(CF)CF ZINC000842708555 588055075 /nfs/dbraw/zinc/05/50/75/588055075.db2.gz CXCDGPGBHPAYHU-UHFFFAOYSA-N 1 2 231.290 1.936 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](OCC)C(C)C)n1 ZINC000843145225 588083617 /nfs/dbraw/zinc/08/36/17/588083617.db2.gz XVKCBYKQKRCZAW-SNVBAGLBSA-N 1 2 241.335 1.783 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2O[C@H](C)C[C@H]2C)n1 ZINC000843144373 588085939 /nfs/dbraw/zinc/08/59/39/588085939.db2.gz WYABKXHTNTVCRD-NQMVMOMDSA-N 1 2 225.292 1.665 20 0 BDADLO COCC[NH2+]Cc1nc([C@H](C)C(C)(C)C)no1 ZINC000843189644 588089251 /nfs/dbraw/zinc/08/92/51/588089251.db2.gz RLECDMYZQKCACZ-VIFPVBQESA-N 1 2 241.335 1.955 20 0 BDADLO CC/C=C(/F)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000867324901 588099977 /nfs/dbraw/zinc/09/99/77/588099977.db2.gz SDHGTQMCHFNGFQ-ONNFQVAWSA-N 1 2 237.278 1.797 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000843404244 588106310 /nfs/dbraw/zinc/10/63/10/588106310.db2.gz FTHZFZDMMVLZBV-GARJFASQSA-N 1 2 229.320 1.341 20 0 BDADLO CC[C@@H](C)C[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000843414904 588107073 /nfs/dbraw/zinc/10/70/73/588107073.db2.gz FMHNQLLSGNMKEJ-HBIQZDMRSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)nn1 ZINC000843429125 588108595 /nfs/dbraw/zinc/10/85/95/588108595.db2.gz VTYNXCYVDSICDZ-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)nn1 ZINC000843429125 588108596 /nfs/dbraw/zinc/10/85/96/588108596.db2.gz VTYNXCYVDSICDZ-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc[nH+]cc1CCCN1CN(C)C(=O)[C@H]1C ZINC000843435807 588109831 /nfs/dbraw/zinc/10/98/31/588109831.db2.gz TZXFYCKFPFZXOB-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC000867332565 588135231 /nfs/dbraw/zinc/13/52/31/588135231.db2.gz UTCPUDRILCFVLL-BXUZGUMPSA-N 1 2 247.342 1.659 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CO1 ZINC000843729950 588135447 /nfs/dbraw/zinc/13/54/47/588135447.db2.gz QHCBXTUXBNOODA-UWVGGRQHSA-N 1 2 245.282 1.242 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C(F)F)CC1 ZINC000843767779 588138938 /nfs/dbraw/zinc/13/89/38/588138938.db2.gz NNXHSDUZJDRFSI-MRVPVSSYSA-N 1 2 243.257 1.433 20 0 BDADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(F)CC1 ZINC000843787495 588140419 /nfs/dbraw/zinc/14/04/19/588140419.db2.gz SQWSNEOYMBRYRE-SECBINFHSA-N 1 2 237.278 1.618 20 0 BDADLO C[C@H](CC(=O)OCc1ccccn1)n1cc[nH+]c1 ZINC000844270241 588178377 /nfs/dbraw/zinc/17/83/77/588178377.db2.gz AWHQIMUJBRMVEV-LLVKDONJSA-N 1 2 245.282 1.973 20 0 BDADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1C/C(Cl)=C\Cl ZINC000844393176 588189491 /nfs/dbraw/zinc/18/94/91/588189491.db2.gz PFCMOPFGGYRLQK-GPEYXKODSA-N 1 2 240.130 1.387 20 0 BDADLO COC[C@@H]1C[C@@H](O)C[N@H+]1C/C(Cl)=C\Cl ZINC000844393176 588189492 /nfs/dbraw/zinc/18/94/92/588189492.db2.gz PFCMOPFGGYRLQK-GPEYXKODSA-N 1 2 240.130 1.387 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1ncc(Cl)n1C ZINC000844446089 588190514 /nfs/dbraw/zinc/19/05/14/588190514.db2.gz FPHFJYGZKMPQHL-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000844446089 588190515 /nfs/dbraw/zinc/19/05/15/588190515.db2.gz FPHFJYGZKMPQHL-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438807 588193060 /nfs/dbraw/zinc/19/30/60/588193060.db2.gz SWOXOBRBUUROGD-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438807 588193062 /nfs/dbraw/zinc/19/30/62/588193062.db2.gz SWOXOBRBUUROGD-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844448889 588195250 /nfs/dbraw/zinc/19/52/50/588195250.db2.gz AUVQPHURXMDNGJ-KNVOCYPGSA-N 1 2 215.203 1.075 20 0 BDADLO Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844448889 588195251 /nfs/dbraw/zinc/19/52/51/588195251.db2.gz AUVQPHURXMDNGJ-KNVOCYPGSA-N 1 2 215.203 1.075 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cn1 ZINC000844453895 588195799 /nfs/dbraw/zinc/19/57/99/588195799.db2.gz SDDQOYXNVNCQMU-AOOOYVTPSA-N 1 2 225.242 1.482 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cn1 ZINC000844453895 588195800 /nfs/dbraw/zinc/19/58/00/588195800.db2.gz SDDQOYXNVNCQMU-AOOOYVTPSA-N 1 2 225.242 1.482 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC000844461041 588196966 /nfs/dbraw/zinc/19/69/66/588196966.db2.gz ZOEYSLGGNDJOLM-OCAPTIKFSA-N 1 2 211.215 1.174 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC000844461041 588196967 /nfs/dbraw/zinc/19/69/67/588196967.db2.gz ZOEYSLGGNDJOLM-OCAPTIKFSA-N 1 2 211.215 1.174 20 0 BDADLO COCC(C)=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000844465106 588197830 /nfs/dbraw/zinc/19/78/30/588197830.db2.gz QDZSHDHUJLEDIY-WEVVVXLNSA-N 1 2 234.299 1.652 20 0 BDADLO CCc1cc[nH+]cc1NCc1cnn(CC)n1 ZINC000844708661 588214802 /nfs/dbraw/zinc/21/48/02/588214802.db2.gz MPPNXSQQOHHTBI-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO COC/C(C)=C/C(=O)OCCc1c[nH+]cn1C ZINC000845244156 588224730 /nfs/dbraw/zinc/22/47/30/588224730.db2.gz UILMZCBDDOJYBL-UXBLZVDNSA-N 1 2 238.287 1.099 20 0 BDADLO CC(=O)CCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278889 588225500 /nfs/dbraw/zinc/22/55/00/588225500.db2.gz XCFSPODAFRAREZ-SNVBAGLBSA-N 1 2 238.287 1.747 20 0 BDADLO CO[C@H]1C[C@@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000845573290 588233680 /nfs/dbraw/zinc/23/36/80/588233680.db2.gz OOHCTPLKZVTVBL-GARJFASQSA-N 1 2 238.287 1.555 20 0 BDADLO CC(C)c1nc(N[C@H](CO)CCF)cc[nH+]1 ZINC000845737096 588243172 /nfs/dbraw/zinc/24/31/72/588243172.db2.gz VSEIZKIRPJCTRQ-VIFPVBQESA-N 1 2 227.283 1.732 20 0 BDADLO CC(=O)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845899541 588249431 /nfs/dbraw/zinc/24/94/31/588249431.db2.gz FZPTXUJHXLNCRN-JTQLQIEISA-N 1 2 237.303 1.272 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000846088110 588255784 /nfs/dbraw/zinc/25/57/84/588255784.db2.gz HBMYYYRQIYYYQX-MNOVXSKESA-N 1 2 228.336 1.613 20 0 BDADLO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NOCC ZINC000846090435 588256410 /nfs/dbraw/zinc/25/64/10/588256410.db2.gz AHZLTWLRKPQFTK-GHMZBOCLSA-N 1 2 230.352 1.859 20 0 BDADLO CCONC(=O)C[NH2+][C@H](CC)C1CCCC1 ZINC000846090232 588256441 /nfs/dbraw/zinc/25/64/41/588256441.db2.gz DBUAHJOLFDMUSV-LLVKDONJSA-N 1 2 228.336 1.613 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000846119897 588258291 /nfs/dbraw/zinc/25/82/91/588258291.db2.gz JOMQIASRMCLBQS-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000846119897 588258292 /nfs/dbraw/zinc/25/82/92/588258292.db2.gz JOMQIASRMCLBQS-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CC1(C)C)c1[nH]cc[nH+]1 ZINC000846245268 588262462 /nfs/dbraw/zinc/26/24/62/588262462.db2.gz SHARJWVSZPRDSP-QMMMGPOBSA-N 1 2 221.304 1.807 20 0 BDADLO CC(C)(NC(=O)c1ccc(C=O)[nH]1)c1[nH]cc[nH+]1 ZINC000846244950 588262629 /nfs/dbraw/zinc/26/26/29/588262629.db2.gz RAMPSVVMYOYWKO-UHFFFAOYSA-N 1 2 246.270 1.215 20 0 BDADLO CC(C)SCC(=O)NOC1CC[NH+](C)CC1 ZINC000846647592 588280411 /nfs/dbraw/zinc/28/04/11/588280411.db2.gz WIDMWRLJAORPJO-UHFFFAOYSA-N 1 2 246.376 1.270 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000846652654 588280732 /nfs/dbraw/zinc/28/07/32/588280732.db2.gz GJKCDQNELQHMHZ-NSHDSACASA-N 1 2 244.298 1.648 20 0 BDADLO COCC[N@@H+](Cc1cnsn1)CC(C)C ZINC000846773382 588287544 /nfs/dbraw/zinc/28/75/44/588287544.db2.gz HBWMHESDAJYEPJ-UHFFFAOYSA-N 1 2 229.349 1.643 20 0 BDADLO COCC[N@H+](Cc1cnsn1)CC(C)C ZINC000846773382 588287545 /nfs/dbraw/zinc/28/75/45/588287545.db2.gz HBWMHESDAJYEPJ-UHFFFAOYSA-N 1 2 229.349 1.643 20 0 BDADLO c1nsnc1C[NH+]1CCC2(CC2)CC1 ZINC000846838142 588292042 /nfs/dbraw/zinc/29/20/42/588292042.db2.gz VTLXWZXLQDYBMJ-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846837965 588292202 /nfs/dbraw/zinc/29/22/02/588292202.db2.gz SKYJCACEDLIBSY-LURJTMIESA-N 1 2 219.260 1.625 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846837965 588292203 /nfs/dbraw/zinc/29/22/03/588292203.db2.gz SKYJCACEDLIBSY-LURJTMIESA-N 1 2 219.260 1.625 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cnsn1 ZINC000846850642 588293179 /nfs/dbraw/zinc/29/31/79/588293179.db2.gz QTTNQDPMWYDDHB-GFCCVEGCSA-N 1 2 249.339 1.670 20 0 BDADLO CC(C)[N@H+](Cc1cnsn1)[C@@H]1CCOC1 ZINC000846914767 588296556 /nfs/dbraw/zinc/29/65/56/588296556.db2.gz NFCROTOYRATGJA-SNVBAGLBSA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)[N@@H+](Cc1cnsn1)[C@@H]1CCOC1 ZINC000846914767 588296557 /nfs/dbraw/zinc/29/65/57/588296557.db2.gz NFCROTOYRATGJA-SNVBAGLBSA-N 1 2 227.333 1.537 20 0 BDADLO COCc1nc(C[NH2+][C@@H]2CCC2(C)C)no1 ZINC000846956854 588298179 /nfs/dbraw/zinc/29/81/79/588298179.db2.gz IYEJZPWMNYIVFV-MRVPVSSYSA-N 1 2 225.292 1.494 20 0 BDADLO CON1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000846977997 588299858 /nfs/dbraw/zinc/29/98/58/588299858.db2.gz VYZRPMCALLZDBG-UHFFFAOYSA-N 1 2 242.269 1.644 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@@H](O)CC ZINC000847059750 588305480 /nfs/dbraw/zinc/30/54/80/588305480.db2.gz ZQDBNSDPVHNEJT-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCOCC ZINC000847059494 588305557 /nfs/dbraw/zinc/30/55/57/588305557.db2.gz YJXGUUDDLNMOJQ-UHFFFAOYSA-N 1 2 231.336 1.734 20 0 BDADLO CCC(F)(F)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000847138569 588307463 /nfs/dbraw/zinc/30/74/63/588307463.db2.gz GZJPRMKKYUHWBU-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO CCC(F)(F)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000847138569 588307464 /nfs/dbraw/zinc/30/74/64/588307464.db2.gz GZJPRMKKYUHWBU-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO COc1ccccc1OC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000847302203 588310603 /nfs/dbraw/zinc/31/06/03/588310603.db2.gz KJODOADQXFHXTH-NSHDSACASA-N 1 2 249.310 1.942 20 0 BDADLO COc1ccccc1OC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000847302203 588310604 /nfs/dbraw/zinc/31/06/04/588310604.db2.gz KJODOADQXFHXTH-NSHDSACASA-N 1 2 249.310 1.942 20 0 BDADLO CC1(NC(=O)N[C@@H]2CCn3cc[nH+]c32)CC=CC1 ZINC000847378520 588311808 /nfs/dbraw/zinc/31/18/08/588311808.db2.gz MYBWYHXZVGTOCY-SNVBAGLBSA-N 1 2 246.314 1.736 20 0 BDADLO CCC(CC)(CO)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000848233917 588366378 /nfs/dbraw/zinc/36/63/78/588366378.db2.gz TXJCGYULEPPDIF-MRVPVSSYSA-N 1 2 244.360 1.393 20 0 BDADLO CCc1nocc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000848512712 588388390 /nfs/dbraw/zinc/38/83/90/588388390.db2.gz LSVMNUZRNZYUQV-JTQLQIEISA-N 1 2 239.275 1.414 20 0 BDADLO C[C@@H]1CC[C@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000848557556 588397322 /nfs/dbraw/zinc/39/73/22/588397322.db2.gz KLQRRTINTVHMNK-BBBLOLIVSA-N 1 2 236.319 1.544 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccn(C)n1 ZINC000848674866 588404906 /nfs/dbraw/zinc/40/49/06/588404906.db2.gz KJANBNCMIFWKMC-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BDADLO CO[C@@](C)(CO)CNc1cc[nH+]c(C(C)C)n1 ZINC000848743340 588410008 /nfs/dbraw/zinc/41/00/08/588410008.db2.gz TZFZFDCSKBNOIL-GFCCVEGCSA-N 1 2 239.319 1.409 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OCCCCO)ccn12 ZINC000848781211 588413882 /nfs/dbraw/zinc/41/38/82/588413882.db2.gz GCVWZWAGIZOTHX-UHFFFAOYSA-N 1 2 248.282 1.572 20 0 BDADLO C[NH+](C)c1ccc(-n2cc(CCCO)nn2)cc1 ZINC000849146577 588455482 /nfs/dbraw/zinc/45/54/82/588455482.db2.gz SGNKXVHFTAOFCD-UHFFFAOYSA-N 1 2 246.314 1.258 20 0 BDADLO CCN(C(=O)N[C@@H]1CCn2cc[nH+]c21)C(C)C ZINC000849394841 588476410 /nfs/dbraw/zinc/47/64/10/588476410.db2.gz GZLJEKPCOZPBQO-SNVBAGLBSA-N 1 2 236.319 1.768 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000849395594 588476607 /nfs/dbraw/zinc/47/66/07/588476607.db2.gz XTPODQLNRZHNNS-SECBINFHSA-N 1 2 222.292 1.378 20 0 BDADLO CN(C(=O)N[C@H]1CCn2cc[nH+]c21)C1CCCC1 ZINC000849394953 588476707 /nfs/dbraw/zinc/47/67/07/588476707.db2.gz KFVYMJUPPQHYON-NSHDSACASA-N 1 2 248.330 1.912 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC=C(C)C)C1 ZINC000849734358 588491506 /nfs/dbraw/zinc/49/15/06/588491506.db2.gz GAJSNQHZSOUMFV-GFCCVEGCSA-N 1 2 241.331 1.607 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC=C(C)C)C1 ZINC000849734358 588491508 /nfs/dbraw/zinc/49/15/08/588491508.db2.gz GAJSNQHZSOUMFV-GFCCVEGCSA-N 1 2 241.331 1.607 20 0 BDADLO Cc1nocc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000849817949 588503312 /nfs/dbraw/zinc/50/33/12/588503312.db2.gz MQSRJEMOXOBSNY-VIFPVBQESA-N 1 2 249.270 1.874 20 0 BDADLO CCc1cc(C[NH2+]Cc2cncc(OC)c2)on1 ZINC000850158004 588522390 /nfs/dbraw/zinc/52/23/90/588522390.db2.gz PULUXSNSQOHJTH-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO CCCn1nccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000850312274 588536155 /nfs/dbraw/zinc/53/61/55/588536155.db2.gz GRVWQKXXDUKREO-GFCCVEGCSA-N 1 2 245.330 1.724 20 0 BDADLO COc1cncc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000850323759 588536972 /nfs/dbraw/zinc/53/69/72/588536972.db2.gz FSRDECLMSPGRLZ-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CCn1nc(C)c(CNCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000850331444 588537234 /nfs/dbraw/zinc/53/72/34/588537234.db2.gz ZGMDLPZDELJVAK-UHFFFAOYSA-N 1 2 248.334 1.236 20 0 BDADLO Cn1cnc(C[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850379349 588542174 /nfs/dbraw/zinc/54/21/74/588542174.db2.gz MARMHHICJDRRNP-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)nc1)c1nccn1C ZINC000850410037 588544503 /nfs/dbraw/zinc/54/45/03/588544503.db2.gz MDVREARGHUJUNT-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000850420656 588545489 /nfs/dbraw/zinc/54/54/89/588545489.db2.gz QJYIBTSOWQEUOE-GWCFXTLKSA-N 1 2 246.314 1.027 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CC[C@@H]2C2CC2)[nH]1 ZINC000850513755 588556087 /nfs/dbraw/zinc/55/60/87/588556087.db2.gz BRTLDXCGSJNRLK-ZJUUUORDSA-N 1 2 236.319 1.229 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cc(C)nn2C)nn1 ZINC000850522745 588556474 /nfs/dbraw/zinc/55/64/74/588556474.db2.gz YONRELZCVOCUNG-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO COC(=O)N(C)CC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000850550568 588559778 /nfs/dbraw/zinc/55/97/78/588559778.db2.gz QOHHFBHKHRAGTJ-QMMMGPOBSA-N 1 2 240.307 1.067 20 0 BDADLO CC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851397344 588603859 /nfs/dbraw/zinc/60/38/59/588603859.db2.gz GXYFQSZSBLGUCV-UHFFFAOYSA-N 1 2 234.299 1.861 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cnn[nH]2)Cc2ccccc21 ZINC000851720416 588617145 /nfs/dbraw/zinc/61/71/45/588617145.db2.gz JCYJJBOTVZFJGJ-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cnn[nH]2)Cc2ccccc21 ZINC000851720416 588617146 /nfs/dbraw/zinc/61/71/46/588617146.db2.gz JCYJJBOTVZFJGJ-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnon2)C1(C)C ZINC000851782404 588627889 /nfs/dbraw/zinc/62/78/89/588627889.db2.gz SBIUGFPEWMKGCC-MNOVXSKESA-N 1 2 239.319 1.705 20 0 BDADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnon2)C1(C)C ZINC000851782404 588627890 /nfs/dbraw/zinc/62/78/90/588627890.db2.gz SBIUGFPEWMKGCC-MNOVXSKESA-N 1 2 239.319 1.705 20 0 BDADLO C[C@H](O)C[N@H+](Cc1cnon1)Cc1ccccc1 ZINC000851782380 588627939 /nfs/dbraw/zinc/62/79/39/588627939.db2.gz RQEOSGWMMXMXOM-NSHDSACASA-N 1 2 247.298 1.453 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1cnon1)Cc1ccccc1 ZINC000851782380 588627940 /nfs/dbraw/zinc/62/79/40/588627940.db2.gz RQEOSGWMMXMXOM-NSHDSACASA-N 1 2 247.298 1.453 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000851888028 588640429 /nfs/dbraw/zinc/64/04/29/588640429.db2.gz ZSUBPDAJNSBFMA-QMMMGPOBSA-N 1 2 231.246 1.786 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000851888028 588640430 /nfs/dbraw/zinc/64/04/30/588640430.db2.gz ZSUBPDAJNSBFMA-QMMMGPOBSA-N 1 2 231.246 1.786 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cn(C)nc2C)n1 ZINC000851899264 588641771 /nfs/dbraw/zinc/64/17/71/588641771.db2.gz ZVRMMAPFZQORJE-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cnon1 ZINC000851902420 588641905 /nfs/dbraw/zinc/64/19/05/588641905.db2.gz LVSNGVSZSXJDCH-ZCFIWIBFSA-N 1 2 222.248 1.525 20 0 BDADLO COc1cccc(C2([NH2+]Cc3cnon3)CC2)c1 ZINC000851902971 588641972 /nfs/dbraw/zinc/64/19/72/588641972.db2.gz LOXONEPWYRJOAH-UHFFFAOYSA-N 1 2 245.282 1.857 20 0 BDADLO Cn1cc([C@@H]([NH2+]Cc2cnon2)C(C)(C)C)cn1 ZINC000851904986 588642274 /nfs/dbraw/zinc/64/22/74/588642274.db2.gz ASPDWUJIPRDSKD-LLVKDONJSA-N 1 2 249.318 1.680 20 0 BDADLO CC1(C)OC[C@@H](CC[N@@H+]2CCC(F)(F)C2)O1 ZINC000851907348 588642516 /nfs/dbraw/zinc/64/25/16/588642516.db2.gz HEZOKAUJWAAGCB-SECBINFHSA-N 1 2 235.274 1.869 20 0 BDADLO CC1(C)OC[C@@H](CC[N@H+]2CCC(F)(F)C2)O1 ZINC000851907348 588642517 /nfs/dbraw/zinc/64/25/17/588642517.db2.gz HEZOKAUJWAAGCB-SECBINFHSA-N 1 2 235.274 1.869 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC(F)F)C(C)C ZINC000851927827 588644530 /nfs/dbraw/zinc/64/45/30/588644530.db2.gz NDDKACTZPHOLLQ-SSDOTTSWSA-N 1 2 225.235 1.013 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC23CCOCC3)n1 ZINC000851989025 588652501 /nfs/dbraw/zinc/65/25/01/588652501.db2.gz RTGQCYPUVFZIJQ-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1ncc(C[N@H+]2CCC23CCOCC3)n1 ZINC000851989025 588652502 /nfs/dbraw/zinc/65/25/02/588652502.db2.gz RTGQCYPUVFZIJQ-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC000852053963 588657877 /nfs/dbraw/zinc/65/78/77/588657877.db2.gz LLAHMSLYVPYROX-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC000852053963 588657878 /nfs/dbraw/zinc/65/78/78/588657878.db2.gz LLAHMSLYVPYROX-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnon2)CCCO1 ZINC000852094983 588662036 /nfs/dbraw/zinc/66/20/36/588662036.db2.gz RGNFIEXMCMBWCB-NSHDSACASA-N 1 2 225.292 1.317 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnon2)CCCO1 ZINC000852094983 588662037 /nfs/dbraw/zinc/66/20/37/588662037.db2.gz RGNFIEXMCMBWCB-NSHDSACASA-N 1 2 225.292 1.317 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)s1 ZINC000852121347 588665089 /nfs/dbraw/zinc/66/50/89/588665089.db2.gz OKINMEFVVSUVGO-VIFPVBQESA-N 1 2 249.286 1.048 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@](O)(C(F)F)C2)s1 ZINC000852121347 588665090 /nfs/dbraw/zinc/66/50/90/588665090.db2.gz OKINMEFVVSUVGO-VIFPVBQESA-N 1 2 249.286 1.048 20 0 BDADLO C[N@@H+](Cc1ccsc1)Cc1n[nH]c(=O)o1 ZINC000852187505 588670535 /nfs/dbraw/zinc/67/05/35/588670535.db2.gz RLWPXHSMHJIFDC-UHFFFAOYSA-N 1 2 225.273 1.469 20 0 BDADLO C[N@H+](Cc1ccsc1)Cc1n[nH]c(=O)o1 ZINC000852187505 588670536 /nfs/dbraw/zinc/67/05/36/588670536.db2.gz RLWPXHSMHJIFDC-UHFFFAOYSA-N 1 2 225.273 1.469 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)sn1 ZINC000852212935 588673106 /nfs/dbraw/zinc/67/31/06/588673106.db2.gz HDDHLFMMNRADFC-OCAPTIKFSA-N 1 2 246.282 1.849 20 0 BDADLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)sn1 ZINC000852212935 588673107 /nfs/dbraw/zinc/67/31/07/588673107.db2.gz HDDHLFMMNRADFC-OCAPTIKFSA-N 1 2 246.282 1.849 20 0 BDADLO CC(C)CONC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000852223114 588673942 /nfs/dbraw/zinc/67/39/42/588673942.db2.gz QADVMJSXLKYYOF-SECBINFHSA-N 1 2 240.307 1.368 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccsc1 ZINC000852443976 588682635 /nfs/dbraw/zinc/68/26/35/588682635.db2.gz QFQHHVHLULMDNL-UHFFFAOYSA-N 1 2 237.324 1.886 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccsc1 ZINC000852443976 588682636 /nfs/dbraw/zinc/68/26/36/588682636.db2.gz QFQHHVHLULMDNL-UHFFFAOYSA-N 1 2 237.324 1.886 20 0 BDADLO COCC[N@H+](CCF)Cc1ccnc(C)n1 ZINC000852480211 588683982 /nfs/dbraw/zinc/68/39/82/588683982.db2.gz QRHSPNLDLPDAOS-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccnc(C)n1 ZINC000852480211 588683983 /nfs/dbraw/zinc/68/39/83/588683983.db2.gz QRHSPNLDLPDAOS-UHFFFAOYSA-N 1 2 227.283 1.203 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@@H+]2C/C=C\Cl ZINC000852706330 588697090 /nfs/dbraw/zinc/69/70/90/588697090.db2.gz LOKDNSWAJPPBHT-ARJAWSKDSA-N 1 2 229.707 1.766 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@H+]2C/C=C\Cl ZINC000852706330 588697091 /nfs/dbraw/zinc/69/70/91/588697091.db2.gz LOKDNSWAJPPBHT-ARJAWSKDSA-N 1 2 229.707 1.766 20 0 BDADLO CCONC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852778218 588701982 /nfs/dbraw/zinc/70/19/82/588701982.db2.gz IHSOYFCQOCSJQA-LLVKDONJSA-N 1 2 220.272 1.289 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000852784308 588702323 /nfs/dbraw/zinc/70/23/23/588702323.db2.gz INEQFTXCVQVENZ-LBPRGKRZSA-N 1 2 249.301 1.958 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000852784308 588702324 /nfs/dbraw/zinc/70/23/24/588702324.db2.gz INEQFTXCVQVENZ-LBPRGKRZSA-N 1 2 249.301 1.958 20 0 BDADLO CCC/C=C\C(=O)Nc1ccc(N)[nH+]c1 ZINC000852794607 588703279 /nfs/dbraw/zinc/70/32/79/588703279.db2.gz AZQLPBKCGGCMGX-PLNGDYQASA-N 1 2 205.261 1.959 20 0 BDADLO CC[N@H+](CCS(=O)(=O)CC)Cc1ccoc1 ZINC000118396726 589170030 /nfs/dbraw/zinc/17/00/30/589170030.db2.gz NXHYSMTYOMPCCN-UHFFFAOYSA-N 1 2 245.344 1.536 20 0 BDADLO CC[N@@H+](CCS(=O)(=O)CC)Cc1ccoc1 ZINC000118396726 589170031 /nfs/dbraw/zinc/17/00/31/589170031.db2.gz NXHYSMTYOMPCCN-UHFFFAOYSA-N 1 2 245.344 1.536 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]cn1C)C(F)(F)F ZINC000861752189 589176670 /nfs/dbraw/zinc/17/66/70/589176670.db2.gz AEHWGDUOXJLFKY-ZETCQYMHSA-N 1 2 249.236 1.625 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NOC1CCC1)CC2 ZINC000861880462 589181573 /nfs/dbraw/zinc/18/15/73/589181573.db2.gz BZHAKWPVAIBLSC-JTQLQIEISA-N 1 2 249.314 1.354 20 0 BDADLO Cc1[nH]c(CN2CCC[C@@]23CCOC3=O)[nH+]c1C ZINC000862333507 589201367 /nfs/dbraw/zinc/20/13/67/589201367.db2.gz SOGIYAHWXCXODW-ZDUSSCGKSA-N 1 2 249.314 1.308 20 0 BDADLO Cc1nonc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000862367303 589204625 /nfs/dbraw/zinc/20/46/25/589204625.db2.gz CQKJBXSCKKJFPL-UHFFFAOYSA-N 1 2 221.264 1.008 20 0 BDADLO CCO[C@H](CO[NH+]=C(N)[C@H](C)OC)C1CC1 ZINC000863458643 589289883 /nfs/dbraw/zinc/28/98/83/589289883.db2.gz BWONYEMSBYKPKJ-WCBMZHEXSA-N 1 2 230.308 1.335 20 0 BDADLO COC1(C(N)=[NH+]OC2CCC2)CCCC1 ZINC000863478635 589292223 /nfs/dbraw/zinc/29/22/23/589292223.db2.gz UBRVJYVEAYFVOM-UHFFFAOYSA-N 1 2 212.293 1.997 20 0 BDADLO COC1(C(N)=[NH+]OC[C@@H]2CCOC2)CCCC1 ZINC000863479173 589292475 /nfs/dbraw/zinc/29/24/75/589292475.db2.gz FMZZXAIPUARVMI-SNVBAGLBSA-N 1 2 242.319 1.481 20 0 BDADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccns1 ZINC000863615863 589304672 /nfs/dbraw/zinc/30/46/72/589304672.db2.gz VITIMFRBXLROPN-ZETCQYMHSA-N 1 2 236.300 1.286 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N)nn2)C2(CCC2)CO1 ZINC000864049968 589335119 /nfs/dbraw/zinc/33/51/19/589335119.db2.gz PSXFFWYUGVVLSC-JTQLQIEISA-N 1 2 248.330 1.202 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N)nn2)C2(CCC2)CO1 ZINC000864049968 589335120 /nfs/dbraw/zinc/33/51/20/589335120.db2.gz PSXFFWYUGVVLSC-JTQLQIEISA-N 1 2 248.330 1.202 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nnc(C)s2)C1 ZINC000864053696 589335817 /nfs/dbraw/zinc/33/58/17/589335817.db2.gz MSGVVAHOJJQCFO-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nnc(C)s2)C1 ZINC000864053696 589335818 /nfs/dbraw/zinc/33/58/18/589335818.db2.gz MSGVVAHOJJQCFO-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CCC(CC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864433209 589362801 /nfs/dbraw/zinc/36/28/01/589362801.db2.gz KEZNJCZAZXZLKB-WAYWQWQTSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(/F)C(=O)N(C)Cc1[nH+]ccn1C ZINC000864583590 589380244 /nfs/dbraw/zinc/38/02/44/589380244.db2.gz VKBNUWUUTPKFDM-WEVVVXLNSA-N 1 2 225.267 1.642 20 0 BDADLO CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000864899530 589400275 /nfs/dbraw/zinc/40/02/75/589400275.db2.gz VWZAYODPXLJTDE-LLVKDONJSA-N 1 2 237.303 1.234 20 0 BDADLO CCC[N@H+](CC[C@@H]1CCOC1=O)CC(F)F ZINC000120328016 589404254 /nfs/dbraw/zinc/40/42/54/589404254.db2.gz BINNTLGXZYFZFR-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO CCC[N@@H+](CC[C@@H]1CCOC1=O)CC(F)F ZINC000120328016 589404255 /nfs/dbraw/zinc/40/42/55/589404255.db2.gz BINNTLGXZYFZFR-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865162360 589411526 /nfs/dbraw/zinc/41/15/26/589411526.db2.gz KUYVAWDPXZUZIU-NGZCFLSTSA-N 1 2 237.303 1.233 20 0 BDADLO COC/C=C\C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865159015 589412202 /nfs/dbraw/zinc/41/22/02/589412202.db2.gz NUEDQAQKURMCFJ-FHMRSRPSSA-N 1 2 249.314 1.249 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=S)NC1CCC1 ZINC000865262855 589416934 /nfs/dbraw/zinc/41/69/34/589416934.db2.gz WMHOYEYBVTZFLV-UHFFFAOYSA-N 1 2 224.333 1.269 20 0 BDADLO CC(C)(C)c1cn(CC(=O)Nc2ccon2)c[nH+]1 ZINC000865375985 589428166 /nfs/dbraw/zinc/42/81/66/589428166.db2.gz UDXYGGPRCQPQID-UHFFFAOYSA-N 1 2 248.286 1.807 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(F)nn1 ZINC000865440913 589435845 /nfs/dbraw/zinc/43/58/45/589435845.db2.gz LRASXMRQBUWTMO-MRVPVSSYSA-N 1 2 221.239 1.313 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H](C)Cn2cncn2)[nH+]c1 ZINC000865479682 589439523 /nfs/dbraw/zinc/43/95/23/589439523.db2.gz DCHAHRZJVIDPMR-NXEZZACHSA-N 1 2 247.302 1.227 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ccnc(F)c2)nn1 ZINC000865722553 589458630 /nfs/dbraw/zinc/45/86/30/589458630.db2.gz KFYZZXWUYHCIOA-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO Fc1cc(C[NH2+]Cc2cc3n(n2)CCC3)ccn1 ZINC000865723456 589458646 /nfs/dbraw/zinc/45/86/46/589458646.db2.gz XYJMHVIYWNYUJH-UHFFFAOYSA-N 1 2 246.289 1.653 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC3(CCO3)CC2)[nH+]c1 ZINC000865761047 589461229 /nfs/dbraw/zinc/46/12/29/589461229.db2.gz RKVUOBNYHGKIRJ-LLVKDONJSA-N 1 2 248.326 1.894 20 0 BDADLO CCCCc1cc(NC[C@H](O)COC)nc[nH+]1 ZINC000865766694 589461604 /nfs/dbraw/zinc/46/16/04/589461604.db2.gz PUQJCPUFSOPVQJ-NSHDSACASA-N 1 2 239.319 1.238 20 0 BDADLO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000865807542 589462617 /nfs/dbraw/zinc/46/26/17/589462617.db2.gz URHVTHGLWWPCEL-AWEZNQCLSA-N 1 2 242.326 1.686 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccnn1C ZINC000865838322 589464248 /nfs/dbraw/zinc/46/42/48/589464248.db2.gz TZBOTRFQJPNOFS-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@@]2(C)CCC(=O)N2)[nH+]c1 ZINC000865866141 589465845 /nfs/dbraw/zinc/46/58/45/589465845.db2.gz GDHCFQNPCQWKSG-NOZJJQNGSA-N 1 2 249.314 1.216 20 0 BDADLO C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2CS3)[nH+]c1 ZINC000865870775 589466180 /nfs/dbraw/zinc/46/61/80/589466180.db2.gz AGOQZGJEMPDYRY-LSJOCFKGSA-N 1 2 236.340 1.829 20 0 BDADLO CC[C@H](C)OC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000120801043 589468836 /nfs/dbraw/zinc/46/88/36/589468836.db2.gz RLSVZYPMHUFTCA-UWVGGRQHSA-N 1 2 231.361 1.765 20 0 BDADLO FCC[N@@H+]1CCC[C@@H](Nc2cc(F)ncn2)C1 ZINC000865928005 589468877 /nfs/dbraw/zinc/46/88/77/589468877.db2.gz NSSYOSLQNPFNCQ-SECBINFHSA-N 1 2 242.273 1.462 20 0 BDADLO FCC[N@H+]1CCC[C@@H](Nc2cc(F)ncn2)C1 ZINC000865928005 589468878 /nfs/dbraw/zinc/46/88/78/589468878.db2.gz NSSYOSLQNPFNCQ-SECBINFHSA-N 1 2 242.273 1.462 20 0 BDADLO CCCNc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc[nH+]1 ZINC000865944503 589469784 /nfs/dbraw/zinc/46/97/84/589469784.db2.gz ZBCCIHDRDYWIRO-GXFFZTMASA-N 1 2 248.330 1.260 20 0 BDADLO CCCNc1cc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]cn1 ZINC000865944503 589469785 /nfs/dbraw/zinc/46/97/85/589469785.db2.gz ZBCCIHDRDYWIRO-GXFFZTMASA-N 1 2 248.330 1.260 20 0 BDADLO C[C@H](O)c1ccc(N2CCC[C@@H]2[C@H](C)O)[nH+]c1 ZINC000865944458 589469845 /nfs/dbraw/zinc/46/98/45/589469845.db2.gz XQEZLKFBGOQDEZ-JBLDHEPKSA-N 1 2 236.315 1.485 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000865944457 589469868 /nfs/dbraw/zinc/46/98/68/589469868.db2.gz XQEZLKFBGOQDEZ-HOSYDEDBSA-N 1 2 236.315 1.485 20 0 BDADLO CC(C)(CNc1cnc(F)cn1)n1cc[nH+]c1 ZINC000865947995 589469938 /nfs/dbraw/zinc/46/99/38/589469938.db2.gz FGAYFIQJNGIIMU-UHFFFAOYSA-N 1 2 235.266 1.659 20 0 BDADLO CC(C)c1nc(N[C@H]2C(=O)NCC2(C)C)cc[nH+]1 ZINC000865948569 589469985 /nfs/dbraw/zinc/46/99/85/589469985.db2.gz PRJDFLXZFKKELS-JTQLQIEISA-N 1 2 248.330 1.537 20 0 BDADLO Cc1cc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)nc[nH+]1 ZINC000866044417 589473830 /nfs/dbraw/zinc/47/38/30/589473830.db2.gz QFCWQFCQBCJNHI-CXWACVEQSA-N 1 2 231.299 1.620 20 0 BDADLO CC(F)(F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000866124053 589477591 /nfs/dbraw/zinc/47/75/91/589477591.db2.gz IRLSGGSSDLITGZ-UHFFFAOYSA-N 1 2 231.246 1.390 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866232519 589481971 /nfs/dbraw/zinc/48/19/71/589481971.db2.gz NPBOWFVUZCRVAC-FXPVBKGRSA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1nc[nH+]c(C)c1OC ZINC000866304172 589485289 /nfs/dbraw/zinc/48/52/89/589485289.db2.gz VCHCXOUBBIOISV-SCZZXKLOSA-N 1 2 239.319 1.755 20 0 BDADLO C[C@@H](N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1(C)CC1 ZINC000866438127 589492703 /nfs/dbraw/zinc/49/27/03/589492703.db2.gz BVSOZYMEDPZQLW-SCZZXKLOSA-N 1 2 237.303 1.090 20 0 BDADLO COC/C=C/C(=O)Nc1ccc(C)[nH+]c1C ZINC000866491447 589497301 /nfs/dbraw/zinc/49/73/01/589497301.db2.gz BYLFXXZGLVUCAA-SNAWJCMRSA-N 1 2 220.272 1.840 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccnn1C ZINC000866613643 589505095 /nfs/dbraw/zinc/50/50/95/589505095.db2.gz ISSIXEUEOSOINQ-VHSXEESVSA-N 1 2 233.319 1.565 20 0 BDADLO C[C@@H]([NH2+]Cc1cncn1C)c1cc2n(n1)CCC2 ZINC000866644290 589506976 /nfs/dbraw/zinc/50/69/76/589506976.db2.gz STJCMCZRLOFGDH-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO CCCCCC[NH2+][C@](C)(COC)C(=O)OC ZINC000121203974 589517732 /nfs/dbraw/zinc/51/77/32/589517732.db2.gz ICTBQJPHNHBXBB-GFCCVEGCSA-N 1 2 231.336 1.734 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866823252 589519619 /nfs/dbraw/zinc/51/96/19/589519619.db2.gz KJFHQSJURBZKPA-KLUICZCQSA-N 1 2 237.278 1.647 20 0 BDADLO CCC=C(F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000866823252 589519622 /nfs/dbraw/zinc/51/96/22/589519622.db2.gz KJFHQSJURBZKPA-KLUICZCQSA-N 1 2 237.278 1.647 20 0 BDADLO C[C@H]1CCCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867491296 589522571 /nfs/dbraw/zinc/52/25/71/589522571.db2.gz PBBSCRKKRVXDKK-ONGXEEELSA-N 1 2 237.303 1.092 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867537310 589524946 /nfs/dbraw/zinc/52/49/46/589524946.db2.gz HEUMYWGRNSDQHL-NZGAHHFVSA-N 1 2 237.278 1.578 20 0 BDADLO COC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867793546 589534501 /nfs/dbraw/zinc/53/45/01/589534501.db2.gz HXOITEDJDHPCRY-NSHDSACASA-N 1 2 220.272 1.529 20 0 BDADLO COC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867793546 589534503 /nfs/dbraw/zinc/53/45/03/589534503.db2.gz HXOITEDJDHPCRY-NSHDSACASA-N 1 2 220.272 1.529 20 0 BDADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1(C)CCCC1 ZINC000867895989 589538487 /nfs/dbraw/zinc/53/84/87/589538487.db2.gz DCIVSHPYNUOSPE-JTQLQIEISA-N 1 2 237.303 1.234 20 0 BDADLO CCN(C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867899497 589538818 /nfs/dbraw/zinc/53/88/18/589538818.db2.gz DCPWDZXAZPSXII-UHFFFAOYSA-N 1 2 248.330 1.405 20 0 BDADLO CCCOC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867900094 589538927 /nfs/dbraw/zinc/53/89/27/589538927.db2.gz ADLBUTCCUGCYPO-UHFFFAOYSA-N 1 2 249.314 1.880 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000868662952 589571599 /nfs/dbraw/zinc/57/15/99/589571599.db2.gz WDZSZKHXXJFTPW-IRCOFANPSA-N 1 2 247.342 1.811 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000868839046 589579033 /nfs/dbraw/zinc/57/90/33/589579033.db2.gz WQJUUUROTJIULO-BXUZGUMPSA-N 1 2 247.342 1.659 20 0 BDADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC(C)(C)C1 ZINC000868849287 589579461 /nfs/dbraw/zinc/57/94/61/589579461.db2.gz HJASFOOTCXVSTH-JTQLQIEISA-N 1 2 237.303 1.090 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H](C2CCC2)C1 ZINC000868894072 589581716 /nfs/dbraw/zinc/58/17/16/589581716.db2.gz NEGIHWOXABAOGQ-CMPLNLGQSA-N 1 2 249.314 1.092 20 0 BDADLO CN(CCC(C)(C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869075064 589585599 /nfs/dbraw/zinc/58/55/99/589585599.db2.gz ASUIARDZVCBFHV-JTQLQIEISA-N 1 2 239.319 1.338 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCCn2cc[nH+]c2)[C@@H](C)O1 ZINC000869655902 589620250 /nfs/dbraw/zinc/62/02/50/589620250.db2.gz RTLGKPAHSKWOPA-GMTAPVOTSA-N 1 2 238.287 1.240 20 0 BDADLO CCC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870147202 589645945 /nfs/dbraw/zinc/64/59/45/589645945.db2.gz LVLUJYKVCLTNEW-ZDUSSCGKSA-N 1 2 248.326 1.578 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCc2c[nH+]cn2C)[C@@H](C)O1 ZINC000870220331 589650070 /nfs/dbraw/zinc/65/00/70/589650070.db2.gz UUSKHWBXDFIKKT-FXPVBKGRSA-N 1 2 238.287 1.277 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1F ZINC000870488995 589668603 /nfs/dbraw/zinc/66/86/03/589668603.db2.gz CVWBZIQHORWTJK-BDAKNGLRSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnn2c1CCCC2 ZINC000870695736 589685054 /nfs/dbraw/zinc/68/50/54/589685054.db2.gz PLVQBCTVBJDMKM-UHFFFAOYSA-N 1 2 245.286 1.124 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CC12CCC2 ZINC000871629393 589778906 /nfs/dbraw/zinc/77/89/06/589778906.db2.gz PIMGOWQEPGBXGF-JTQLQIEISA-N 1 2 234.303 1.125 20 0 BDADLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000871748675 589804646 /nfs/dbraw/zinc/80/46/46/589804646.db2.gz MXKZBHPKFPYVCH-LPEHRKFASA-N 1 2 228.292 1.089 20 0 BDADLO NC(=[NH+]OC1CC(CF)(CF)C1)[C@H]1CCCO1 ZINC000871749534 589805308 /nfs/dbraw/zinc/80/53/08/589805308.db2.gz YIIYQMRRJMAUFV-SECBINFHSA-N 1 2 248.273 1.752 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)COC1CCC1)C1CC1 ZINC000871778287 589813801 /nfs/dbraw/zinc/81/38/01/589813801.db2.gz AXRQDUWZSVPGBO-NSHDSACASA-N 1 2 242.319 1.479 20 0 BDADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778666 589814669 /nfs/dbraw/zinc/81/46/69/589814669.db2.gz RVPUDCSTHWWKEU-BDAKNGLRSA-N 1 2 212.293 1.710 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)n1 ZINC000871927677 589832940 /nfs/dbraw/zinc/83/29/40/589832940.db2.gz OJSQUWGMZGLCON-HTQZYQBOSA-N 1 2 235.291 1.523 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266251 589903095 /nfs/dbraw/zinc/90/30/95/589903095.db2.gz SLUYTMBNJMZDFO-DTORHVGOSA-N 1 2 241.722 1.152 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266251 589903097 /nfs/dbraw/zinc/90/30/97/589903097.db2.gz SLUYTMBNJMZDFO-DTORHVGOSA-N 1 2 241.722 1.152 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872294804 589907524 /nfs/dbraw/zinc/90/75/24/589907524.db2.gz BJDMJEXMZSLXEE-ZYHUDNBSSA-N 1 2 245.326 1.516 20 0 BDADLO CC[C@@H](C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872298804 589908338 /nfs/dbraw/zinc/90/83/38/589908338.db2.gz PBLYHMXUBWSPDB-LLVKDONJSA-N 1 2 247.342 1.906 20 0 BDADLO O=C1N(C[NH+]2CCSCC2)CCC12CCC2 ZINC000872563502 589951320 /nfs/dbraw/zinc/95/13/20/589951320.db2.gz VTKVOHPFTUGPLN-UHFFFAOYSA-N 1 2 240.372 1.395 20 0 BDADLO Cc1nc(NCCC[C@@H]2C=CCC2)nc(N)[nH+]1 ZINC000872693070 589961597 /nfs/dbraw/zinc/96/15/97/589961597.db2.gz DXKLBGKJNHVXAL-SNVBAGLBSA-N 1 2 233.319 1.921 20 0 BDADLO Cc1nc(N)nc(NCCC[C@@H]2C=CCC2)[nH+]1 ZINC000872693070 589961599 /nfs/dbraw/zinc/96/15/99/589961599.db2.gz DXKLBGKJNHVXAL-SNVBAGLBSA-N 1 2 233.319 1.921 20 0 BDADLO C[C@H](C[N@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000872818053 589972032 /nfs/dbraw/zinc/97/20/32/589972032.db2.gz FZKDGZBBEKBLIB-SNVBAGLBSA-N 1 2 240.351 1.153 20 0 BDADLO C[C@H](C[N@@H+](C)Cn1ncn(C)c1=O)C(C)(C)C ZINC000872818053 589972034 /nfs/dbraw/zinc/97/20/34/589972034.db2.gz FZKDGZBBEKBLIB-SNVBAGLBSA-N 1 2 240.351 1.153 20 0 BDADLO Cc1nn(C[N@@H+](C)C[C@H](C)C(C)(C)C)c(=O)o1 ZINC000872818165 589972463 /nfs/dbraw/zinc/97/24/63/589972463.db2.gz HGZJMIUDWNMZPI-VIFPVBQESA-N 1 2 241.335 1.716 20 0 BDADLO Cc1nn(C[N@H+](C)C[C@H](C)C(C)(C)C)c(=O)o1 ZINC000872818165 589972464 /nfs/dbraw/zinc/97/24/64/589972464.db2.gz HGZJMIUDWNMZPI-VIFPVBQESA-N 1 2 241.335 1.716 20 0 BDADLO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ccon1 ZINC000873127476 589985842 /nfs/dbraw/zinc/98/58/42/589985842.db2.gz OLOWCOOZTUSIFL-AAEUAGOBSA-N 1 2 246.266 1.259 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnc(N)cn1 ZINC000873207122 589994192 /nfs/dbraw/zinc/99/41/92/589994192.db2.gz RNCHFQPFFAJCFL-JTQLQIEISA-N 1 2 243.314 1.647 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc(N)cn1 ZINC000873207122 589994193 /nfs/dbraw/zinc/99/41/93/589994193.db2.gz RNCHFQPFFAJCFL-JTQLQIEISA-N 1 2 243.314 1.647 20 0 BDADLO CON(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000873909173 590078292 /nfs/dbraw/zinc/07/82/92/590078292.db2.gz SJSYPVYQEUPODK-SNVBAGLBSA-N 1 2 225.292 1.490 20 0 BDADLO COC[C@H](C)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000124760732 590083954 /nfs/dbraw/zinc/08/39/54/590083954.db2.gz QIMYYTPLKBETEK-VHSXEESVSA-N 1 2 247.360 1.002 20 0 BDADLO CCC[C@H](CC)C(=O)NCCn1cc[nH+]c1 ZINC000874012639 590084409 /nfs/dbraw/zinc/08/44/09/590084409.db2.gz XBMDJUVDDRDFLJ-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO CCn1ccc(C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC000874453611 590111885 /nfs/dbraw/zinc/11/18/85/590111885.db2.gz VHOIMHUIBCOJCV-UHFFFAOYSA-N 1 2 246.314 1.512 20 0 BDADLO CC(C)OC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000874458255 590112607 /nfs/dbraw/zinc/11/26/07/590112607.db2.gz XYIDZHPVOOOXOU-UHFFFAOYSA-N 1 2 237.303 1.374 20 0 BDADLO CC(C)c1nsc(NC(=O)C[NH+](C)C)n1 ZINC000874696952 590124383 /nfs/dbraw/zinc/12/43/83/590124383.db2.gz UKDWIFASSCCDDY-UHFFFAOYSA-N 1 2 228.321 1.162 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC12CCC2 ZINC000874777618 590129314 /nfs/dbraw/zinc/12/93/14/590129314.db2.gz GCUHPAZNDKDCOV-QMMMGPOBSA-N 1 2 205.261 1.011 20 0 BDADLO CCn1ncc(NC(=O)CCc2[nH]cc[nH+]2)c1C ZINC000874815371 590140277 /nfs/dbraw/zinc/14/02/77/590140277.db2.gz VVLMCZKRSXBJBZ-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO Cc1cc(C)c(NC(=O)[C@@H]2COC(=O)N2)c(C)[nH+]1 ZINC000875097200 590160450 /nfs/dbraw/zinc/16/04/50/590160450.db2.gz JXECZGJBNZOKQX-VIFPVBQESA-N 1 2 249.270 1.054 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000875591480 590166103 /nfs/dbraw/zinc/16/61/03/590166103.db2.gz MNKMLMKYWUQAIB-GWCFXTLKSA-N 1 2 248.330 1.552 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC2(CC2)C1 ZINC000888690138 590180351 /nfs/dbraw/zinc/18/03/51/590180351.db2.gz VXHVSCPBBNDGEA-SNVBAGLBSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCCC2(CC2)C1 ZINC000888690138 590180352 /nfs/dbraw/zinc/18/03/52/590180352.db2.gz VXHVSCPBBNDGEA-SNVBAGLBSA-N 1 2 233.315 1.791 20 0 BDADLO COc1cnc(F)c(C[N@H+](C)C2CC2)c1 ZINC000876580391 590218509 /nfs/dbraw/zinc/21/85/09/590218509.db2.gz KTJUYCWEHSSJMQ-UHFFFAOYSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cnc(F)c(C[N@@H+](C)C2CC2)c1 ZINC000876580391 590218511 /nfs/dbraw/zinc/21/85/11/590218511.db2.gz KTJUYCWEHSSJMQ-UHFFFAOYSA-N 1 2 210.252 1.824 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876635928 590224049 /nfs/dbraw/zinc/22/40/49/590224049.db2.gz MYKBEORXWZBHEB-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1nc(Cl)cs1 ZINC000876635928 590224050 /nfs/dbraw/zinc/22/40/50/590224050.db2.gz MYKBEORXWZBHEB-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc(F)c1N ZINC000876686082 590230766 /nfs/dbraw/zinc/23/07/66/590230766.db2.gz OWGIROWLUXXWKN-UHFFFAOYSA-N 1 2 240.278 1.403 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc(F)c1N ZINC000876686082 590230767 /nfs/dbraw/zinc/23/07/67/590230767.db2.gz OWGIROWLUXXWKN-UHFFFAOYSA-N 1 2 240.278 1.403 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(Cl)cs2)CC[C@H]1O ZINC000877432474 590325913 /nfs/dbraw/zinc/32/59/13/590325913.db2.gz DUSVKOONWCODOQ-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)CC[C@H]1O ZINC000877432474 590325916 /nfs/dbraw/zinc/32/59/16/590325916.db2.gz DUSVKOONWCODOQ-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000877468060 590333415 /nfs/dbraw/zinc/33/34/15/590333415.db2.gz XVPOUSNWYANCKY-BQBZGAKWSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(Cl)cs1 ZINC000877468060 590333418 /nfs/dbraw/zinc/33/34/18/590333418.db2.gz XVPOUSNWYANCKY-BQBZGAKWSA-N 1 2 232.736 1.752 20 0 BDADLO CC[C@](C)(C[NH2+][C@@H](C)C(=O)OCC(C)C)OC ZINC000877469511 590335068 /nfs/dbraw/zinc/33/50/68/590335068.db2.gz OYSNVHQLGHYNDN-WCQYABFASA-N 1 2 245.363 1.979 20 0 BDADLO C[N@H+](CCCO)Cc1nc(Cl)cs1 ZINC000877499352 590341717 /nfs/dbraw/zinc/34/17/17/590341717.db2.gz OHJZLDKFCKBRIW-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO C[N@@H+](CCCO)Cc1nc(Cl)cs1 ZINC000877499352 590341719 /nfs/dbraw/zinc/34/17/19/590341719.db2.gz OHJZLDKFCKBRIW-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO COc1ncc(C[NH2+]Cc2nonc2C)s1 ZINC000877527728 590348734 /nfs/dbraw/zinc/34/87/34/590348734.db2.gz VHOMZQLEIGNKIG-UHFFFAOYSA-N 1 2 240.288 1.133 20 0 BDADLO CCCn1cc(C[NH+]2CC(C3CC3)C2)nn1 ZINC000877541679 590352010 /nfs/dbraw/zinc/35/20/10/590352010.db2.gz KRXPADSIPFUQNQ-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO Clc1ccc(C[NH+]2CC3(C2)CCOC3)nn1 ZINC000877554837 590356820 /nfs/dbraw/zinc/35/68/20/590356820.db2.gz OTIWPZHVLYWKHZ-UHFFFAOYSA-N 1 2 239.706 1.352 20 0 BDADLO Nc1c(F)cccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000877557494 590358025 /nfs/dbraw/zinc/35/80/25/590358025.db2.gz SPWYLVCZKSUADA-LLVKDONJSA-N 1 2 246.289 1.839 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(Cl)cs1 ZINC000877573008 590363044 /nfs/dbraw/zinc/36/30/44/590363044.db2.gz VHOBYCMBTKVVBD-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000877586351 590367778 /nfs/dbraw/zinc/36/77/78/590367778.db2.gz BFAZLVMCYBTNRQ-QWRGUYRKSA-N 1 2 238.360 1.378 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn1 ZINC000877586351 590367780 /nfs/dbraw/zinc/36/77/80/590367780.db2.gz BFAZLVMCYBTNRQ-QWRGUYRKSA-N 1 2 238.360 1.378 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(Cl)nn1 ZINC000877620095 590376401 /nfs/dbraw/zinc/37/64/01/590376401.db2.gz PGFOSPNYWODMON-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ccc(Cl)nn1 ZINC000877620095 590376403 /nfs/dbraw/zinc/37/64/03/590376403.db2.gz PGFOSPNYWODMON-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO COC(=O)c1occc1C[NH2+]CC(C)(C)F ZINC000877663662 590388807 /nfs/dbraw/zinc/38/88/07/590388807.db2.gz XEZOPPLVTARKED-UHFFFAOYSA-N 1 2 229.251 1.904 20 0 BDADLO Cn1c(Cl)ncc1C[NH2+]Cc1ncc[nH]1 ZINC000877674995 590389942 /nfs/dbraw/zinc/38/99/42/590389942.db2.gz YLTQTWJZFAMGAU-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO COc1cnc(F)c(C[NH2+]C2(C)COC2)c1 ZINC000877691749 590392941 /nfs/dbraw/zinc/39/29/41/590392941.db2.gz VDIKYXOIONHYMQ-UHFFFAOYSA-N 1 2 226.251 1.108 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cscc2Cl)C[C@@H]1O ZINC000877749625 590414979 /nfs/dbraw/zinc/41/49/79/590414979.db2.gz OQZSMLZGKUEFGU-ZJUUUORDSA-N 1 2 247.747 1.329 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cscc2Cl)C[C@@H]1O ZINC000877749625 590414981 /nfs/dbraw/zinc/41/49/81/590414981.db2.gz OQZSMLZGKUEFGU-ZJUUUORDSA-N 1 2 247.747 1.329 20 0 BDADLO CC1(C)C[C@H](O)C[N@H+](Cc2cscn2)C1 ZINC000877753744 590416724 /nfs/dbraw/zinc/41/67/24/590416724.db2.gz RMUOHQLEXMAOAT-JTQLQIEISA-N 1 2 226.345 1.736 20 0 BDADLO CC1(C)C[C@H](O)C[N@@H+](Cc2cscn2)C1 ZINC000877753744 590416725 /nfs/dbraw/zinc/41/67/25/590416725.db2.gz RMUOHQLEXMAOAT-JTQLQIEISA-N 1 2 226.345 1.736 20 0 BDADLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cncnc2)C1 ZINC000877829366 590428829 /nfs/dbraw/zinc/42/88/29/590428829.db2.gz RSCCGMTZHRSKMX-JTQLQIEISA-N 1 2 249.314 1.108 20 0 BDADLO Cc1ccc2c(c1)C(=O)N[C@H](c1c[nH+]cn1C)N2 ZINC000877861513 590432993 /nfs/dbraw/zinc/43/29/93/590432993.db2.gz LUVZOUAYUOJNJD-GFCCVEGCSA-N 1 2 242.282 1.583 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1O ZINC000126831058 590464495 /nfs/dbraw/zinc/46/44/95/590464495.db2.gz CVOMLUILSVJDKK-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1O ZINC000126831058 590464496 /nfs/dbraw/zinc/46/44/96/590464496.db2.gz CVOMLUILSVJDKK-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000877995699 590468973 /nfs/dbraw/zinc/46/89/73/590468973.db2.gz JPCDROVKIKRGLC-JTQLQIEISA-N 1 2 246.376 1.361 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+]1CC(=O)N=S(C)(C)=O ZINC000877995699 590468975 /nfs/dbraw/zinc/46/89/75/590468975.db2.gz JPCDROVKIKRGLC-JTQLQIEISA-N 1 2 246.376 1.361 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N=S(C)(C)=O)C(C)(C)C1 ZINC000878159257 590510323 /nfs/dbraw/zinc/51/03/23/590510323.db2.gz WDSIXKJCPHKQLU-SECBINFHSA-N 1 2 246.376 1.361 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N=S(C)(C)=O)C(C)(C)C1 ZINC000878159257 590510325 /nfs/dbraw/zinc/51/03/25/590510325.db2.gz WDSIXKJCPHKQLU-SECBINFHSA-N 1 2 246.376 1.361 20 0 BDADLO O[C@H](C[C@H](O)c1ccccc1)Cn1cc[nH+]c1 ZINC000878208478 590524338 /nfs/dbraw/zinc/52/43/38/590524338.db2.gz VMRDFMOTYUGRHX-OLZOCXBDSA-N 1 2 232.283 1.368 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000878290975 590535383 /nfs/dbraw/zinc/53/53/83/590535383.db2.gz FHCZQDQBHACXBI-JKOKRWQUSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000878290975 590535384 /nfs/dbraw/zinc/53/53/84/590535384.db2.gz FHCZQDQBHACXBI-JKOKRWQUSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000878290975 590535385 /nfs/dbraw/zinc/53/53/85/590535385.db2.gz FHCZQDQBHACXBI-JKOKRWQUSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000878290975 590535386 /nfs/dbraw/zinc/53/53/86/590535386.db2.gz FHCZQDQBHACXBI-JKOKRWQUSA-N 1 2 247.342 1.725 20 0 BDADLO CC(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000878303252 590538896 /nfs/dbraw/zinc/53/88/96/590538896.db2.gz LFEPXMFPKRCWLN-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO CC(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000878303252 590538897 /nfs/dbraw/zinc/53/88/97/590538897.db2.gz LFEPXMFPKRCWLN-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO COC(=O)C1([NH2+]CC[C@@H](O)C(C)C)CCCC1 ZINC000878305098 590538990 /nfs/dbraw/zinc/53/89/90/590538990.db2.gz TZSGBJPYMHSWJN-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CC[C@](C)([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878332363 590548527 /nfs/dbraw/zinc/54/85/27/590548527.db2.gz CYGZXEPXXRZDQH-JQWIXIFHSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1conc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000878400485 590560944 /nfs/dbraw/zinc/56/09/44/590560944.db2.gz DKCSYNFGJAJFSO-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO Cc1conc1C[N@H+]1CCOCC2(CC2)C1 ZINC000878400485 590560947 /nfs/dbraw/zinc/56/09/47/590560947.db2.gz DKCSYNFGJAJFSO-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO Cc1conc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000878440137 590568212 /nfs/dbraw/zinc/56/82/12/590568212.db2.gz DRMZHUGSZGSJOV-JTQLQIEISA-N 1 2 236.271 1.789 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000878504258 590582072 /nfs/dbraw/zinc/58/20/72/590582072.db2.gz YHDBQLCQPKEIEV-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000878504258 590582074 /nfs/dbraw/zinc/58/20/74/590582074.db2.gz YHDBQLCQPKEIEV-WDEREUQCSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878534005 590587775 /nfs/dbraw/zinc/58/77/75/590587775.db2.gz VBFAHFHSORWJFU-DTORHVGOSA-N 1 2 249.314 1.238 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878534005 590587777 /nfs/dbraw/zinc/58/77/77/590587777.db2.gz VBFAHFHSORWJFU-DTORHVGOSA-N 1 2 249.314 1.238 20 0 BDADLO O=C(COC1CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000878553756 590591179 /nfs/dbraw/zinc/59/11/79/590591179.db2.gz QFASSRKTJZFPCK-LLVKDONJSA-N 1 2 249.314 1.642 20 0 BDADLO CC1(C)CO[C@@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000878561775 590591795 /nfs/dbraw/zinc/59/17/95/590591795.db2.gz QOYUHQNUNMZKNG-NXEZZACHSA-N 1 2 249.301 1.767 20 0 BDADLO CC1(C)CO[C@@H](C[N@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000878561775 590591796 /nfs/dbraw/zinc/59/17/96/590591796.db2.gz QOYUHQNUNMZKNG-NXEZZACHSA-N 1 2 249.301 1.767 20 0 BDADLO c1nc2n(n1)[C@H](C[N@@H+]1Cc3ccncc3C1)CC2 ZINC000878609377 590595500 /nfs/dbraw/zinc/59/55/00/590595500.db2.gz YTTMSZJEVMFXRH-LBPRGKRZSA-N 1 2 241.298 1.176 20 0 BDADLO c1nc2n(n1)[C@H](C[N@H+]1Cc3ccncc3C1)CC2 ZINC000878609377 590595501 /nfs/dbraw/zinc/59/55/01/590595501.db2.gz YTTMSZJEVMFXRH-LBPRGKRZSA-N 1 2 241.298 1.176 20 0 BDADLO CC(=O)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878631075 590597908 /nfs/dbraw/zinc/59/79/08/590597908.db2.gz WIABUXHVEZICBI-UHFFFAOYSA-N 1 2 242.319 1.127 20 0 BDADLO CC(=O)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878631075 590597909 /nfs/dbraw/zinc/59/79/09/590597909.db2.gz WIABUXHVEZICBI-UHFFFAOYSA-N 1 2 242.319 1.127 20 0 BDADLO C[C@]1([NH2+]C[C@H]2CC3(CCC3)CO2)CCOC1=O ZINC000878632652 590598310 /nfs/dbraw/zinc/59/83/10/590598310.db2.gz RHNZKOWBGXMQCO-PWSUYJOCSA-N 1 2 239.315 1.241 20 0 BDADLO C[C@@]1([NH2+]C[C@H]2CC3(CCC3)CO2)CCOC1=O ZINC000878632653 590598394 /nfs/dbraw/zinc/59/83/94/590598394.db2.gz RHNZKOWBGXMQCO-ZYHUDNBSSA-N 1 2 239.315 1.241 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878652298 590602341 /nfs/dbraw/zinc/60/23/41/590602341.db2.gz OAYDXKYARDPVIX-DTWKUNHWSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878652298 590602342 /nfs/dbraw/zinc/60/23/42/590602342.db2.gz OAYDXKYARDPVIX-DTWKUNHWSA-N 1 2 249.314 1.095 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nocc2C)[C@H](C)CO1 ZINC000878805808 590625317 /nfs/dbraw/zinc/62/53/17/590625317.db2.gz UABMSGDQVMLNEM-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nocc2C)[C@H](C)CO1 ZINC000878805808 590625318 /nfs/dbraw/zinc/62/53/18/590625318.db2.gz UABMSGDQVMLNEM-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO C[N@@H+]1CCN(CC[S@](C)=O)C[C@@H]1C(C)(C)C ZINC000878841134 590629886 /nfs/dbraw/zinc/62/98/86/590629886.db2.gz UFZVSQJWANSZHA-BZNIZROVSA-N 1 2 246.420 1.027 20 0 BDADLO C[N@H+]1CCN(CC[S@](C)=O)C[C@@H]1C(C)(C)C ZINC000878841134 590629889 /nfs/dbraw/zinc/62/98/89/590629889.db2.gz UFZVSQJWANSZHA-BZNIZROVSA-N 1 2 246.420 1.027 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)c(C)o1 ZINC000127378574 590635476 /nfs/dbraw/zinc/63/54/76/590635476.db2.gz FZZYMHDCIJIOKG-UHFFFAOYSA-N 1 2 222.288 1.170 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)c(C)o1 ZINC000127378574 590635478 /nfs/dbraw/zinc/63/54/78/590635478.db2.gz FZZYMHDCIJIOKG-UHFFFAOYSA-N 1 2 222.288 1.170 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCC2(CCC2)O1 ZINC000878885027 590639787 /nfs/dbraw/zinc/63/97/87/590639787.db2.gz SSRBMVFGBMKVRX-LBPRGKRZSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCC2(CCC2)O1 ZINC000878885027 590639790 /nfs/dbraw/zinc/63/97/90/590639790.db2.gz SSRBMVFGBMKVRX-LBPRGKRZSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CCC2(CCC2)O1 ZINC000878885027 590639793 /nfs/dbraw/zinc/63/97/93/590639793.db2.gz SSRBMVFGBMKVRX-LBPRGKRZSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CCC2(CCC2)O1 ZINC000878885027 590639795 /nfs/dbraw/zinc/63/97/95/590639795.db2.gz SSRBMVFGBMKVRX-LBPRGKRZSA-N 1 2 235.331 1.943 20 0 BDADLO C=C/C=C/CC[NH2+][C@](C)(CCF)C(=O)OC ZINC000878951491 590660295 /nfs/dbraw/zinc/66/02/95/590660295.db2.gz LSNOGFIWASACNX-BTDICHCPSA-N 1 2 229.295 2.000 20 0 BDADLO C=C/C=C\CC[NH2+][C@](C)(CCF)C(=O)OC ZINC000878951493 590660422 /nfs/dbraw/zinc/66/04/22/590660422.db2.gz LSNOGFIWASACNX-FOQNGQEVSA-N 1 2 229.295 2.000 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC[C@@H](O)C(C)C ZINC000878952022 590660655 /nfs/dbraw/zinc/66/06/55/590660655.db2.gz RZZZJMDXMVZGFO-PWSUYJOCSA-N 1 2 249.326 1.274 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000878969022 590662718 /nfs/dbraw/zinc/66/27/18/590662718.db2.gz IGLAGMGETZSLJL-VXGBXAGGSA-N 1 2 243.347 1.496 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000878969022 590662721 /nfs/dbraw/zinc/66/27/21/590662721.db2.gz IGLAGMGETZSLJL-VXGBXAGGSA-N 1 2 243.347 1.496 20 0 BDADLO CO[C@H]1C[N@H+](CCCOC(F)(F)F)CCO1 ZINC000878969338 590663495 /nfs/dbraw/zinc/66/34/95/590663495.db2.gz RTBCUJZMCKUWTA-MRVPVSSYSA-N 1 2 243.225 1.218 20 0 BDADLO CO[C@H]1C[N@@H+](CCCOC(F)(F)F)CCO1 ZINC000878969338 590663498 /nfs/dbraw/zinc/66/34/98/590663498.db2.gz RTBCUJZMCKUWTA-MRVPVSSYSA-N 1 2 243.225 1.218 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](CF)C2)cc[nH+]1 ZINC000879070490 590691374 /nfs/dbraw/zinc/69/13/74/590691374.db2.gz KCBNTWKGJLNDBF-JTQLQIEISA-N 1 2 237.278 1.635 20 0 BDADLO CC1=NO[C@H](CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000879072960 590692105 /nfs/dbraw/zinc/69/21/05/590692105.db2.gz KALQWAQOYIUJDG-JTQLQIEISA-N 1 2 248.286 1.098 20 0 BDADLO CCON(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000879070438 590692455 /nfs/dbraw/zinc/69/24/55/590692455.db2.gz JANYZVWBWJWHAT-UHFFFAOYSA-N 1 2 223.276 1.617 20 0 BDADLO CCCNc1cc(NCC2(O)CCC2)nc[nH+]1 ZINC000127598901 590718290 /nfs/dbraw/zinc/71/82/90/590718290.db2.gz AJEXEHAITUUVCK-UHFFFAOYSA-N 1 2 236.319 1.625 20 0 BDADLO CCCNc1cc(NCC2(O)CCC2)[nH+]cn1 ZINC000127598901 590718295 /nfs/dbraw/zinc/71/82/95/590718295.db2.gz AJEXEHAITUUVCK-UHFFFAOYSA-N 1 2 236.319 1.625 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)o1 ZINC000879318554 590739056 /nfs/dbraw/zinc/73/90/56/590739056.db2.gz MNDJIKMXCFYGQB-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)o1 ZINC000879318554 590739057 /nfs/dbraw/zinc/73/90/57/590739057.db2.gz MNDJIKMXCFYGQB-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)[nH]1 ZINC000879324128 590744677 /nfs/dbraw/zinc/74/46/77/590744677.db2.gz DAELLCVQXXHAIZ-NXEZZACHSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](OC)CC[C@H]2C)[nH]1 ZINC000879324128 590744679 /nfs/dbraw/zinc/74/46/79/590744679.db2.gz DAELLCVQXXHAIZ-NXEZZACHSA-N 1 2 238.335 1.366 20 0 BDADLO CN(Cc1cc[nH+]c(N)c1)OCC(F)(F)F ZINC000879519554 590788405 /nfs/dbraw/zinc/78/84/05/590788405.db2.gz UPIRBTWFBSANCL-UHFFFAOYSA-N 1 2 235.209 1.590 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621434 590833758 /nfs/dbraw/zinc/83/37/58/590833758.db2.gz CIAKWMSKJRDJEC-LLVKDONJSA-N 1 2 243.347 1.278 20 0 BDADLO CC(C)COC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621434 590833759 /nfs/dbraw/zinc/83/37/59/590833759.db2.gz CIAKWMSKJRDJEC-LLVKDONJSA-N 1 2 243.347 1.278 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](O)CC(C)(C)C2)no1 ZINC000879624462 590837832 /nfs/dbraw/zinc/83/78/32/590837832.db2.gz UQMJPHUCNWGIEY-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H](O)CC(C)(C)C2)no1 ZINC000879624462 590837834 /nfs/dbraw/zinc/83/78/34/590837834.db2.gz UQMJPHUCNWGIEY-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2ccnn2C)nc1 ZINC000879685077 590846645 /nfs/dbraw/zinc/84/66/45/590846645.db2.gz CWAYOJCZNZODQE-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CCCc1noc(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000879684027 590846968 /nfs/dbraw/zinc/84/69/68/590846968.db2.gz RVRXWCUORCTJHO-VIFPVBQESA-N 1 2 249.318 1.606 20 0 BDADLO CCCn1ncnc1C[NH2+][C@H](C)c1ccnn1C ZINC000879687162 590848829 /nfs/dbraw/zinc/84/88/29/590848829.db2.gz OXIFSVRHHWOCBO-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO CCCNc1cc(N2CCC(O)CC2)nc[nH+]1 ZINC000128097322 590893840 /nfs/dbraw/zinc/89/38/40/590893840.db2.gz CLHZFPQIVRKSAA-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CCCNc1cc(N2CCC(O)CC2)[nH+]cn1 ZINC000128097322 590893841 /nfs/dbraw/zinc/89/38/41/590893841.db2.gz CLHZFPQIVRKSAA-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](O)C(C)C ZINC000879980554 590902624 /nfs/dbraw/zinc/90/26/24/590902624.db2.gz IVAPPSGYEQOVLH-NWDGAFQWSA-N 1 2 243.347 1.325 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000880190593 590955862 /nfs/dbraw/zinc/95/58/62/590955862.db2.gz VGOUCDOWSKNOMQ-RYUDHWBXSA-N 1 2 247.342 1.955 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC(F)CC2)no1 ZINC000880239781 590972642 /nfs/dbraw/zinc/97/26/42/590972642.db2.gz QIJQWLUKQLWKDZ-ZETCQYMHSA-N 1 2 213.256 1.873 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880292057 590985114 /nfs/dbraw/zinc/98/51/14/590985114.db2.gz TZMILCYWQUHRFK-VIFPVBQESA-N 1 2 241.266 1.213 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880292057 590985117 /nfs/dbraw/zinc/98/51/17/590985117.db2.gz TZMILCYWQUHRFK-VIFPVBQESA-N 1 2 241.266 1.213 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](CF)C2)n1 ZINC000880293968 590988797 /nfs/dbraw/zinc/98/87/97/590988797.db2.gz GKFAVKRYZAXNLT-IUCAKERBSA-N 1 2 243.282 1.568 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](CF)C2)n1 ZINC000880293968 590988803 /nfs/dbraw/zinc/98/88/03/590988803.db2.gz GKFAVKRYZAXNLT-IUCAKERBSA-N 1 2 243.282 1.568 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@@H](CF)C2)s1 ZINC000880294379 590989608 /nfs/dbraw/zinc/98/96/08/590989608.db2.gz VJQXHKYRERCFEJ-QMMMGPOBSA-N 1 2 245.323 1.728 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@@H](CF)C2)s1 ZINC000880294379 590989610 /nfs/dbraw/zinc/98/96/10/590989610.db2.gz VJQXHKYRERCFEJ-QMMMGPOBSA-N 1 2 245.323 1.728 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880293645 590989733 /nfs/dbraw/zinc/98/97/33/590989733.db2.gz NGJDZXOZWUTKQL-SECBINFHSA-N 1 2 227.283 1.984 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H](CF)C2)no1 ZINC000880293645 590989735 /nfs/dbraw/zinc/98/97/35/590989735.db2.gz NGJDZXOZWUTKQL-SECBINFHSA-N 1 2 227.283 1.984 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](CF)C2)s1 ZINC000880298686 590990684 /nfs/dbraw/zinc/99/06/84/590990684.db2.gz HXVQQHSWVDSTGG-MRVPVSSYSA-N 1 2 229.324 1.892 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](CF)C2)s1 ZINC000880298686 590990685 /nfs/dbraw/zinc/99/06/85/590990685.db2.gz HXVQQHSWVDSTGG-MRVPVSSYSA-N 1 2 229.324 1.892 20 0 BDADLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1nccs1 ZINC000880296920 590990756 /nfs/dbraw/zinc/99/07/56/590990756.db2.gz HAPCUQVJLLTTKE-MRVPVSSYSA-N 1 2 243.307 1.373 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1nccs1 ZINC000880296920 590990759 /nfs/dbraw/zinc/99/07/59/590990759.db2.gz HAPCUQVJLLTTKE-MRVPVSSYSA-N 1 2 243.307 1.373 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880298453 590991809 /nfs/dbraw/zinc/99/18/09/590991809.db2.gz BFKBXBQPANTBMY-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@H](CF)C1 ZINC000880298453 590991812 /nfs/dbraw/zinc/99/18/12/590991812.db2.gz BFKBXBQPANTBMY-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880298504 590992302 /nfs/dbraw/zinc/99/23/02/590992302.db2.gz CKIBHBAKNBVIAX-MRVPVSSYSA-N 1 2 212.272 1.159 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880298504 590992306 /nfs/dbraw/zinc/99/23/06/590992306.db2.gz CKIBHBAKNBVIAX-MRVPVSSYSA-N 1 2 212.272 1.159 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880299180 590994641 /nfs/dbraw/zinc/99/46/41/590994641.db2.gz POIUFMSJXHDORI-SECBINFHSA-N 1 2 241.314 1.220 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@H](CF)C1 ZINC000880299180 590994642 /nfs/dbraw/zinc/99/46/42/590994642.db2.gz POIUFMSJXHDORI-SECBINFHSA-N 1 2 241.314 1.220 20 0 BDADLO CO[C@]1(C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000880302943 590999130 /nfs/dbraw/zinc/99/91/30/590999130.db2.gz LRLICHPQWNSHIM-SECBINFHSA-N 1 2 249.236 1.563 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC=C(C)C)C1CCOCC1 ZINC000880333348 591007040 /nfs/dbraw/zinc/00/70/40/591007040.db2.gz BZRLHGPJBJQPOZ-LBPRGKRZSA-N 1 2 241.331 1.510 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)[nH]1 ZINC000880443727 591046574 /nfs/dbraw/zinc/04/65/74/591046574.db2.gz LJZKMMCGRDDOJA-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2[C@@H](C)CC[C@H]2CO)[nH]1 ZINC000880443727 591046576 /nfs/dbraw/zinc/04/65/76/591046576.db2.gz LJZKMMCGRDDOJA-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880484651 591058108 /nfs/dbraw/zinc/05/81/08/591058108.db2.gz RUTGBQBSZFAVNX-SNVBAGLBSA-N 1 2 237.303 1.001 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC=C[C@@H]2CO)n1 ZINC000880484651 591058112 /nfs/dbraw/zinc/05/81/12/591058112.db2.gz RUTGBQBSZFAVNX-SNVBAGLBSA-N 1 2 237.303 1.001 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000880484969 591058584 /nfs/dbraw/zinc/05/85/84/591058584.db2.gz CGRIDMNMBLQQEH-JTQLQIEISA-N 1 2 229.283 1.296 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000880484969 591058588 /nfs/dbraw/zinc/05/85/88/591058588.db2.gz CGRIDMNMBLQQEH-JTQLQIEISA-N 1 2 229.283 1.296 20 0 BDADLO Cn1c2ccccc2nc1C[N@@H+]1CC=C[C@H]1CO ZINC000880488899 591065415 /nfs/dbraw/zinc/06/54/15/591065415.db2.gz ODJPOSKSSLPFGL-NSHDSACASA-N 1 2 243.310 1.306 20 0 BDADLO Cn1c2ccccc2nc1C[N@H+]1CC=C[C@H]1CO ZINC000880488899 591065420 /nfs/dbraw/zinc/06/54/20/591065420.db2.gz ODJPOSKSSLPFGL-NSHDSACASA-N 1 2 243.310 1.306 20 0 BDADLO COc1ccc(C[N@H+](CCO)CC(C)=O)cc1 ZINC000880573046 591098094 /nfs/dbraw/zinc/09/80/94/591098094.db2.gz LOODFTQOAPZUES-UHFFFAOYSA-N 1 2 237.299 1.079 20 0 BDADLO COc1ccc(C[N@@H+](CCO)CC(C)=O)cc1 ZINC000880573046 591098096 /nfs/dbraw/zinc/09/80/96/591098096.db2.gz LOODFTQOAPZUES-UHFFFAOYSA-N 1 2 237.299 1.079 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000128620296 591141395 /nfs/dbraw/zinc/14/13/95/591141395.db2.gz GYEHYZLFAKMEJG-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO CCCNc1cc(NC[C@H]2CCCO2)nc[nH+]1 ZINC000128666601 591148205 /nfs/dbraw/zinc/14/82/05/591148205.db2.gz RMGXHATUDARONJ-SNVBAGLBSA-N 1 2 236.319 1.889 20 0 BDADLO CCCNc1cc(NC[C@H]2CCCO2)[nH+]cn1 ZINC000128666601 591148207 /nfs/dbraw/zinc/14/82/07/591148207.db2.gz RMGXHATUDARONJ-SNVBAGLBSA-N 1 2 236.319 1.889 20 0 BDADLO Cc1[nH+]cccc1Cn1cc([C@@H](O)C2CC2)nn1 ZINC000881299013 591183154 /nfs/dbraw/zinc/18/31/54/591183154.db2.gz WBZFDXDZJHAZPK-ZDUSSCGKSA-N 1 2 244.298 1.473 20 0 BDADLO CC[C@H](O)c1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000881327912 591193250 /nfs/dbraw/zinc/19/32/50/591193250.db2.gz YDMJKKRIUJVEBN-ZDUSSCGKSA-N 1 2 246.314 1.782 20 0 BDADLO Cc1cccn2cc(CC(=O)N3CC[C@H]3C)[nH+]c12 ZINC000881480520 591210902 /nfs/dbraw/zinc/21/09/02/591210902.db2.gz WFBCRQYUAPQYDO-LLVKDONJSA-N 1 2 243.310 1.806 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000881493499 591217430 /nfs/dbraw/zinc/21/74/30/591217430.db2.gz RRYQPVMNMOYDBM-NEPJUHHUSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@]2(C)CC2(C)C)c[nH+]1 ZINC000881539841 591233727 /nfs/dbraw/zinc/23/37/27/591233727.db2.gz CBSSDOKROJPSBK-GFCCVEGCSA-N 1 2 221.304 1.884 20 0 BDADLO Cc1[nH+]cnc(NCC(=O)NC(C)C)c1C ZINC000881773272 591270467 /nfs/dbraw/zinc/27/04/67/591270467.db2.gz DJDDRRMSLXWSOA-UHFFFAOYSA-N 1 2 222.292 1.030 20 0 BDADLO CCn1cnnc1CNc1nc[nH+]c(C)c1C ZINC000881810557 591272582 /nfs/dbraw/zinc/27/25/82/591272582.db2.gz AQKUUITUWHWBDQ-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO Cc1[nH+]cnc(NC[C@](C)(O)C(C)C)c1C ZINC000881970402 591284609 /nfs/dbraw/zinc/28/46/09/591284609.db2.gz GJLLKYHYWSPMIL-LBPRGKRZSA-N 1 2 223.320 1.912 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCC[C@@H](C(N)=O)C2)c1C ZINC000882000885 591287074 /nfs/dbraw/zinc/28/70/74/591287074.db2.gz HEJWYMIFZWVYIW-MNOVXSKESA-N 1 2 248.330 1.549 20 0 BDADLO CNC(=O)[C@H]1CCC[C@H]1Nc1nc[nH+]c(C)c1C ZINC000882145191 591305198 /nfs/dbraw/zinc/30/51/98/591305198.db2.gz KYFYIWRBZBTLQW-WDEREUQCSA-N 1 2 248.330 1.420 20 0 BDADLO Cc1[nH+]cnc(NCCC[C@@H](C)O)c1C ZINC000882278642 591325738 /nfs/dbraw/zinc/32/57/38/591325738.db2.gz NYUWUPXRRCYAHQ-MRVPVSSYSA-N 1 2 209.293 1.666 20 0 BDADLO Cc1cnc(C)c(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000882382152 591340456 /nfs/dbraw/zinc/34/04/56/591340456.db2.gz OYRXRPXYCIMNIE-UHFFFAOYSA-N 1 2 229.287 1.379 20 0 BDADLO Cc1cnc(C)c(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000882407332 591344547 /nfs/dbraw/zinc/34/45/47/591344547.db2.gz MZYPHLXFLCLDLO-JTQLQIEISA-N 1 2 229.287 1.847 20 0 BDADLO C[C@H]1C[C@H](Nc2ncc(C=O)cn2)c2[nH+]ccn21 ZINC000882426618 591346577 /nfs/dbraw/zinc/34/65/77/591346577.db2.gz NTGRLHOYMJJABA-WPRPVWTQSA-N 1 2 243.270 1.604 20 0 BDADLO CCc1nc(CNc2cc(CO)cc[nH+]2)co1 ZINC000882427085 591346810 /nfs/dbraw/zinc/34/68/10/591346810.db2.gz ARLQUQISMFIYAC-UHFFFAOYSA-N 1 2 233.271 1.736 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2CCCNC2=O)c1C ZINC000882445064 591349701 /nfs/dbraw/zinc/34/97/01/591349701.db2.gz BRRPWGCZJOHUFY-JTQLQIEISA-N 1 2 234.303 1.032 20 0 BDADLO COC(=O)N(C)CCN(C)c1cc[nH+]cc1F ZINC000882622556 591401540 /nfs/dbraw/zinc/40/15/40/591401540.db2.gz YPVQGOQDNOLQFF-UHFFFAOYSA-N 1 2 241.266 1.355 20 0 BDADLO CO[C@H]1C[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000882670643 591409190 /nfs/dbraw/zinc/40/91/90/591409190.db2.gz GXEVVYWQOCANRM-PHIMTYICSA-N 1 2 221.304 1.930 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000882715520 591419951 /nfs/dbraw/zinc/41/99/51/591419951.db2.gz FXHRNNJYTDAPFB-AGIUHOORSA-N 1 2 248.326 1.943 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1C=CCC1 ZINC000882756881 591429894 /nfs/dbraw/zinc/42/98/94/591429894.db2.gz QVDAUNNQUABZJW-MRVPVSSYSA-N 1 2 220.276 1.446 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1C=CCC1 ZINC000882756881 591429895 /nfs/dbraw/zinc/42/98/95/591429895.db2.gz QVDAUNNQUABZJW-MRVPVSSYSA-N 1 2 220.276 1.446 20 0 BDADLO CC[C@H]1CN(c2ccc([C@H](C)O)c[nH+]2)CCO1 ZINC000213221004 591455189 /nfs/dbraw/zinc/45/51/89/591455189.db2.gz GJTHSLIHIYMHIG-JQWIXIFHSA-N 1 2 236.315 1.750 20 0 BDADLO CC[C@@H]1CN(c2ccc([C@@H](C)O)c[nH+]2)CCO1 ZINC000213219338 591455546 /nfs/dbraw/zinc/45/55/46/591455546.db2.gz GJTHSLIHIYMHIG-ZYHUDNBSSA-N 1 2 236.315 1.750 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cnc(C2CC2)o1 ZINC000882981291 591491069 /nfs/dbraw/zinc/49/10/69/591491069.db2.gz HHVIEMSFDRBPPM-ZETCQYMHSA-N 1 2 239.275 1.585 20 0 BDADLO C=C/C=C\CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000882990628 591497631 /nfs/dbraw/zinc/49/76/31/591497631.db2.gz SQVBOIGNBVHRHS-XOULXFPDSA-N 1 2 210.277 1.796 20 0 BDADLO OCc1cc[nH+]c(NC2CCC3(COC3)CC2)c1 ZINC000882994391 591498686 /nfs/dbraw/zinc/49/86/86/591498686.db2.gz DSEFYGPQSGEDDY-UHFFFAOYSA-N 1 2 248.326 1.945 20 0 BDADLO c1cn(CCCC2CC2)c(CN2CCOCC2)[nH+]1 ZINC000883003321 591506349 /nfs/dbraw/zinc/50/63/49/591506349.db2.gz KGGJDGQJGWTXCD-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO Cc1ccc(CCO[NH+]=C(N)CO)cc1 ZINC000883011959 591512903 /nfs/dbraw/zinc/51/29/03/591512903.db2.gz ONIMWGYKKWMFJM-UHFFFAOYSA-N 1 2 208.261 1.028 20 0 BDADLO C[C@H]1CCCC[C@H]1CO[NH+]=C(N)CO ZINC000883013480 591514223 /nfs/dbraw/zinc/51/42/23/591514223.db2.gz PHXZDNRMMIZYIF-IUCAKERBSA-N 1 2 200.282 1.303 20 0 BDADLO CC(C)[C@@H](O)CCO[NH+]=C(N)COC1CCC1 ZINC000883040400 591524762 /nfs/dbraw/zinc/52/47/62/591524762.db2.gz AOGCDLFNMZZXID-NSHDSACASA-N 1 2 244.335 1.461 20 0 BDADLO COC[C@H](Nc1cccc[nH+]1)[C@@H]1CCCOC1 ZINC000883210782 591573626 /nfs/dbraw/zinc/57/36/26/591573626.db2.gz ZKCLBIBHEZNDEP-NEPJUHHUSA-N 1 2 236.315 1.935 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CN[C@H]1CCCn2ccnc21 ZINC000883356095 591627796 /nfs/dbraw/zinc/62/77/96/591627796.db2.gz FKGQPRBWJUHXDQ-NEPJUHHUSA-N 1 2 234.347 1.402 20 0 BDADLO CC[N@H+]1CC[C@@H]1CN[C@H]1CCCn2ccnc21 ZINC000883356095 591627798 /nfs/dbraw/zinc/62/77/98/591627798.db2.gz FKGQPRBWJUHXDQ-NEPJUHHUSA-N 1 2 234.347 1.402 20 0 BDADLO Cn1c[nH+]c(CNc2nn(C)cc2Cl)c1 ZINC000883372599 591634304 /nfs/dbraw/zinc/63/43/04/591634304.db2.gz HJXWSXZPJPUGDG-UHFFFAOYSA-N 1 2 225.683 1.419 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000883669463 591715228 /nfs/dbraw/zinc/71/52/28/591715228.db2.gz HVCQJYQYOBBTRS-MNOVXSKESA-N 1 2 246.314 1.593 20 0 BDADLO CCn1cc(C[N@H+](C)C[C@@H]2CCCCO2)nn1 ZINC000883998574 591789630 /nfs/dbraw/zinc/78/96/30/591789630.db2.gz BDONPYYOAJMDGT-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1cc(C[N@@H+](C)C[C@@H]2CCCCO2)nn1 ZINC000883998574 591789633 /nfs/dbraw/zinc/78/96/33/591789633.db2.gz BDONPYYOAJMDGT-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cn(CC)nn2)C1 ZINC000884002902 591792249 /nfs/dbraw/zinc/79/22/49/591792249.db2.gz KKVFUZRWBZLMNY-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cn(CC)nn2)C1 ZINC000884002902 591792253 /nfs/dbraw/zinc/79/22/53/591792253.db2.gz KKVFUZRWBZLMNY-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C2CCCC2)CCO1 ZINC000800084671 591818885 /nfs/dbraw/zinc/81/88/85/591818885.db2.gz CIFSYEZIVDOEPR-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C2CCCC2)CCO1 ZINC000800084671 591818889 /nfs/dbraw/zinc/81/88/89/591818889.db2.gz CIFSYEZIVDOEPR-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)[C@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800167238 591830639 /nfs/dbraw/zinc/83/06/39/591830639.db2.gz DSGVMKOWODAVAF-NEPJUHHUSA-N 1 2 243.347 1.542 20 0 BDADLO CC(C)[C@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800167238 591830640 /nfs/dbraw/zinc/83/06/40/591830640.db2.gz DSGVMKOWODAVAF-NEPJUHHUSA-N 1 2 243.347 1.542 20 0 BDADLO CCc1nc(N[C@@H](CO)CC(F)F)cc[nH+]1 ZINC000884486109 591953972 /nfs/dbraw/zinc/95/39/72/591953972.db2.gz OIUXGWBQEXEURV-SSDOTTSWSA-N 1 2 231.246 1.467 20 0 BDADLO CCc1nc(N[C@H](C(=O)NC)C(C)C)cc[nH+]1 ZINC000884490252 591955195 /nfs/dbraw/zinc/95/51/95/591955195.db2.gz RNSCBGCEABDHNT-NSHDSACASA-N 1 2 236.319 1.222 20 0 BDADLO CCc1nc(N2CC[C@](C)(C(=O)NC)C2)cc[nH+]1 ZINC000884495085 591956238 /nfs/dbraw/zinc/95/62/38/591956238.db2.gz LHDKDGKXXDNTKY-ZDUSSCGKSA-N 1 2 248.330 1.001 20 0 BDADLO CCc1nc(N(C)C[C@H](C)OC)cc[nH+]1 ZINC000884507573 591959776 /nfs/dbraw/zinc/95/97/76/591959776.db2.gz HKNKNQVUYZQJTE-VIFPVBQESA-N 1 2 209.293 1.510 20 0 BDADLO CCc1nc(N[C@H](CCOC)COC)cc[nH+]1 ZINC000884511462 591961459 /nfs/dbraw/zinc/96/14/59/591961459.db2.gz HNCTZDCODVNSDQ-SNVBAGLBSA-N 1 2 239.319 1.502 20 0 BDADLO CCc1nc(NC[C@@H](O)C2CCC2)cc[nH+]1 ZINC000884524728 591965870 /nfs/dbraw/zinc/96/58/70/591965870.db2.gz DZAVLMGDLCXUES-SNVBAGLBSA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N[C@@H]2C[C@H](O)C23CCC3)cc[nH+]1 ZINC000884557818 591978291 /nfs/dbraw/zinc/97/82/91/591978291.db2.gz AIXZOXQRDZJKDY-ZJUUUORDSA-N 1 2 233.315 1.754 20 0 BDADLO CCc1nc(N2CC[C@@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000884558684 591979799 /nfs/dbraw/zinc/97/97/99/591979799.db2.gz BGIOQZNCVTXUEA-MNOVXSKESA-N 1 2 233.315 1.512 20 0 BDADLO O=C(/C=C/c1ccco1)NCCc1[nH]cc[nH+]1 ZINC000135071583 591982070 /nfs/dbraw/zinc/98/20/70/591982070.db2.gz HQXPVNSWKZCMMU-ONEGZZNKSA-N 1 2 231.255 1.375 20 0 BDADLO CCc1nc(N2CCO[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000884564763 591982739 /nfs/dbraw/zinc/98/27/39/591982739.db2.gz PSZNOBLXAWROOQ-WDEREUQCSA-N 1 2 233.315 1.797 20 0 BDADLO CCc1nc(NCC2CSC2)cc[nH+]1 ZINC000884569159 591983745 /nfs/dbraw/zinc/98/37/45/591983745.db2.gz DZAPZFGDVXOORA-UHFFFAOYSA-N 1 2 209.318 1.814 20 0 BDADLO CC(C)c1nc(N[C@]23C[C@H]2COC3)cc[nH+]1 ZINC000884600919 591992609 /nfs/dbraw/zinc/99/26/09/591992609.db2.gz UMWTZHJJUGNYAA-CABZTGNLSA-N 1 2 219.288 1.801 20 0 BDADLO Cc1cc(N[C@H](CO)C[C@@H]2CCCO2)nc[nH+]1 ZINC000884615562 591994379 /nfs/dbraw/zinc/99/43/79/591994379.db2.gz KEQDMRNMPSPOMS-QWRGUYRKSA-N 1 2 237.303 1.127 20 0 BDADLO OC[C@H](C[C@@H]1CCCO1)Nc1cccc[nH+]1 ZINC000884617325 591995004 /nfs/dbraw/zinc/99/50/04/591995004.db2.gz KZUFAADOJTUGJK-QWRGUYRKSA-N 1 2 222.288 1.424 20 0 BDADLO Cc1nc(N[C@H](CO)C[C@H]2CCCO2)cc[nH+]1 ZINC000884616723 591995089 /nfs/dbraw/zinc/99/50/89/591995089.db2.gz AWOVXXZALRNCQR-WDEREUQCSA-N 1 2 237.303 1.127 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000884646828 592001938 /nfs/dbraw/zinc/00/19/38/592001938.db2.gz HVQPELDEBFJXSG-AXFHLTTASA-N 1 2 249.314 1.001 20 0 BDADLO Cc1nc(NC[C@H]2CC3(CCC3)CO2)nc(N)[nH+]1 ZINC000884659856 592006258 /nfs/dbraw/zinc/00/62/58/592006258.db2.gz FXVMHCLDBKBXMA-SECBINFHSA-N 1 2 249.318 1.133 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CC3(CCC3)CO2)[nH+]1 ZINC000884659856 592006261 /nfs/dbraw/zinc/00/62/61/592006261.db2.gz FXVMHCLDBKBXMA-SECBINFHSA-N 1 2 249.318 1.133 20 0 BDADLO CC/C=C(/C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000135354138 592009162 /nfs/dbraw/zinc/00/91/62/592009162.db2.gz RGFXZWGUAZGGQO-WTKPLQERSA-N 1 2 207.277 1.425 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1CNc1cc[nH+]c(C(C)C)n1 ZINC000884800761 592018392 /nfs/dbraw/zinc/01/83/92/592018392.db2.gz NXDHLRUSVBVXBK-NXEZZACHSA-N 1 2 249.314 1.821 20 0 BDADLO CCc1nc(N[C@H](C(N)=O)[C@@H](C)CC)cc[nH+]1 ZINC000884830816 592024274 /nfs/dbraw/zinc/02/42/74/592024274.db2.gz GOETWTSAVOQCLO-KWQFWETISA-N 1 2 236.319 1.351 20 0 BDADLO OCC[C@H](Nc1cccc[nH+]1)C(F)(F)F ZINC000884838428 592024327 /nfs/dbraw/zinc/02/43/27/592024327.db2.gz USICKINHZTXVPE-ZETCQYMHSA-N 1 2 220.194 1.807 20 0 BDADLO C[C@@H](CC(=O)N1CCCC(=O)[C@@H]1C)n1cc[nH+]c1 ZINC000885059638 592042966 /nfs/dbraw/zinc/04/29/66/592042966.db2.gz WXJGQQBMYFLNFC-QWRGUYRKSA-N 1 2 249.314 1.414 20 0 BDADLO C[C@H]1CCC(=O)CN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000885065708 592044324 /nfs/dbraw/zinc/04/43/24/592044324.db2.gz GOIVRDJGPOSUDJ-OAQKJQOQSA-N 1 2 247.298 1.013 20 0 BDADLO Cc1coc(C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000885919436 592109207 /nfs/dbraw/zinc/10/92/07/592109207.db2.gz QEQCVYJBLMGYGQ-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886008706 592130111 /nfs/dbraw/zinc/13/01/11/592130111.db2.gz STYWSUBCSFFYAB-CHWSQXEVSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886008706 592130112 /nfs/dbraw/zinc/13/01/12/592130112.db2.gz STYWSUBCSFFYAB-CHWSQXEVSA-N 1 2 235.331 1.799 20 0 BDADLO C[C@]1([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CCOC1=O ZINC000886210910 592177248 /nfs/dbraw/zinc/17/72/48/592177248.db2.gz FBSWZOHQHBUQKM-MDZLAQPJSA-N 1 2 239.315 1.239 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886271073 592191941 /nfs/dbraw/zinc/19/19/41/592191941.db2.gz WWNDBNOMKQNUPL-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886271073 592191942 /nfs/dbraw/zinc/19/19/42/592191942.db2.gz WWNDBNOMKQNUPL-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C3CC3)no2)nn1 ZINC000886269101 592192294 /nfs/dbraw/zinc/19/22/94/592192294.db2.gz LZEXCESDRIWGDK-UHFFFAOYSA-N 1 2 244.298 1.940 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C13CC(C1)C3)C2 ZINC000886606191 592273703 /nfs/dbraw/zinc/27/37/03/592273703.db2.gz NUFFHSWINICVFI-UHFFFAOYSA-N 1 2 245.326 1.588 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC000886608584 592274161 /nfs/dbraw/zinc/27/41/61/592274161.db2.gz BPDSRUURAPTQKK-GFCCVEGCSA-N 1 2 248.334 1.036 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886611938 592276213 /nfs/dbraw/zinc/27/62/13/592276213.db2.gz WREIUZZGWUPGGQ-GHMZBOCLSA-N 1 2 247.342 1.834 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+][C@@H]1CCc3cccnc31)CC2 ZINC000886615308 592276312 /nfs/dbraw/zinc/27/63/12/592276312.db2.gz CZDBBCKMYRUACR-NEPJUHHUSA-N 1 2 240.310 2.000 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)c1cocn1)C2 ZINC000886621681 592277799 /nfs/dbraw/zinc/27/77/99/592277799.db2.gz YMWJTMPJIXVETK-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCCCC(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886626304 592281186 /nfs/dbraw/zinc/28/11/86/592281186.db2.gz WSWAXGAKKWJAAT-UHFFFAOYSA-N 1 2 235.331 1.978 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677152 592299615 /nfs/dbraw/zinc/29/96/15/592299615.db2.gz SEVYVEMPIMGPJZ-NSHDSACASA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677152 592299617 /nfs/dbraw/zinc/29/96/17/592299617.db2.gz SEVYVEMPIMGPJZ-NSHDSACASA-N 1 2 249.314 1.219 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)[nH]1 ZINC000886686131 592304241 /nfs/dbraw/zinc/30/42/41/592304241.db2.gz KKDMMTDRYPAXPH-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@H](c3ncccn3)C2)[nH]1 ZINC000886686131 592304246 /nfs/dbraw/zinc/30/42/46/592304246.db2.gz KKDMMTDRYPAXPH-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO CC[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000886961777 592402388 /nfs/dbraw/zinc/40/23/88/592402388.db2.gz XLEDOCDRXCYXEH-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CC1=CCCC1 ZINC000887077033 592436354 /nfs/dbraw/zinc/43/63/54/592436354.db2.gz CIKIJEXZCKSITL-NSHDSACASA-N 1 2 241.356 1.687 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CC1=CCCC1 ZINC000887077033 592436358 /nfs/dbraw/zinc/43/63/58/592436358.db2.gz CIKIJEXZCKSITL-NSHDSACASA-N 1 2 241.356 1.687 20 0 BDADLO CCc1cnc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000887235758 592468975 /nfs/dbraw/zinc/46/89/75/592468975.db2.gz MQHRHSJCQXLFJW-QMMMGPOBSA-N 1 2 248.286 1.777 20 0 BDADLO CCc1cnc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000887235758 592468978 /nfs/dbraw/zinc/46/89/78/592468978.db2.gz MQHRHSJCQXLFJW-QMMMGPOBSA-N 1 2 248.286 1.777 20 0 BDADLO CC(C)(CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000887377810 592497746 /nfs/dbraw/zinc/49/77/46/592497746.db2.gz DZEWKGYPFXXMIF-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000887477771 592512798 /nfs/dbraw/zinc/51/27/98/592512798.db2.gz ZHPWHEWTWNDNAN-MNOVXSKESA-N 1 2 249.314 1.026 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)nn1 ZINC000887554626 592525180 /nfs/dbraw/zinc/52/51/80/592525180.db2.gz XHGFCSFKRKRYTA-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)nn1 ZINC000887554626 592525181 /nfs/dbraw/zinc/52/51/81/592525181.db2.gz XHGFCSFKRKRYTA-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889088165 592578984 /nfs/dbraw/zinc/57/89/84/592578984.db2.gz KGERBUYIPFJNOZ-AOOOYVTPSA-N 1 2 247.298 1.252 20 0 BDADLO CCc1cnc(NC(=O)CCn2cc[nH+]c2)o1 ZINC000889397848 592607638 /nfs/dbraw/zinc/60/76/38/592607638.db2.gz TWBLVEBDEMFCAI-UHFFFAOYSA-N 1 2 234.259 1.462 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)[nH+]1 ZINC000889613388 592629795 /nfs/dbraw/zinc/62/97/95/592629795.db2.gz ZCZHRNFTYWPEOK-MVWJERBFSA-N 1 2 247.342 1.819 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)[nH+]1 ZINC000889613389 592629940 /nfs/dbraw/zinc/62/99/40/592629940.db2.gz ZCZHRNFTYWPEOK-YUSALJHKSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H]1CSCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000889927025 592662510 /nfs/dbraw/zinc/66/25/10/592662510.db2.gz LPEWCMCCPDAHQJ-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000890100702 592679931 /nfs/dbraw/zinc/67/99/31/592679931.db2.gz WINFVKZOTIFPNT-CNDDSTCGSA-N 1 2 247.342 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)CC=CCC2)c1 ZINC000890104058 592679953 /nfs/dbraw/zinc/67/99/53/592679953.db2.gz HGYONYSICGCHAJ-CYBMUJFWSA-N 1 2 233.315 1.783 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000890104830 592681383 /nfs/dbraw/zinc/68/13/83/592681383.db2.gz REQXDXWCTUGBPE-VIFPVBQESA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@H](CC(F)F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104863 592681537 /nfs/dbraw/zinc/68/15/37/592681537.db2.gz RTFGGKOQTBRDLD-MRVPVSSYSA-N 1 2 245.273 1.718 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107309 592682069 /nfs/dbraw/zinc/68/20/69/592682069.db2.gz JXGHVVBLGKXZEI-MNOVXSKESA-N 1 2 221.304 1.328 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CC(C)(F)F)c1 ZINC000890107591 592682694 /nfs/dbraw/zinc/68/26/94/592682694.db2.gz MFTYKMUNGRSOIO-UHFFFAOYSA-N 1 2 217.219 1.082 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCSC2)c1 ZINC000890107864 592682996 /nfs/dbraw/zinc/68/29/96/592682996.db2.gz SWLQVJVBULOIRZ-SECBINFHSA-N 1 2 239.344 1.180 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC23CCCC3)c1 ZINC000890110307 592683997 /nfs/dbraw/zinc/68/39/97/592683997.db2.gz MAOWWLIMUMOTHX-LLVKDONJSA-N 1 2 233.315 1.617 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C(F)=C2CCCC2)c1 ZINC000890110357 592684198 /nfs/dbraw/zinc/68/41/98/592684198.db2.gz NHVXWPLKFZJRAP-UHFFFAOYSA-N 1 2 237.278 1.834 20 0 BDADLO CC(C)CCC(=O)NCc1cn(C)c[nH+]1 ZINC000890120204 592686569 /nfs/dbraw/zinc/68/65/69/592686569.db2.gz WWSVCILJNLPHTL-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO O=C([O-])C1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000037562110 598098832 /nfs/dbraw/zinc/09/88/32/598098832.db2.gz RUUXYEUVRNYXNG-UHFFFAOYSA-N 1 2 237.303 1.116 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000049501379 598213575 /nfs/dbraw/zinc/21/35/75/598213575.db2.gz LODTVFNMMUZVFJ-GHMZBOCLSA-N 1 2 228.336 1.314 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000049501375 598213610 /nfs/dbraw/zinc/21/36/10/598213610.db2.gz LODTVFNMMUZVFJ-MNOVXSKESA-N 1 2 228.336 1.314 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001172941811 975000156 /nfs/dbraw/zinc/00/01/56/975000156.db2.gz GYDDHPQJCQIMLT-GMTAPVOTSA-N 1 2 249.301 1.646 20 0 BDADLO CC[N@H+](CCCO)Cc1c(Cl)c(C)nn1C ZINC000124655758 634431279 /nfs/dbraw/zinc/43/12/79/634431279.db2.gz HLHNQEGBEGZCCA-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CC[N@@H+](CCCO)Cc1c(Cl)c(C)nn1C ZINC000124655758 634431284 /nfs/dbraw/zinc/43/12/84/634431284.db2.gz HLHNQEGBEGZCCA-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nocc1C ZINC001027710821 635122612 /nfs/dbraw/zinc/12/26/12/635122612.db2.gz BTFKGTXVWOWTGA-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1nocc1C ZINC001027710821 635122614 /nfs/dbraw/zinc/12/26/14/635122614.db2.gz BTFKGTXVWOWTGA-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1nocc1C ZINC001027710820 635121712 /nfs/dbraw/zinc/12/17/12/635121712.db2.gz BTFKGTXVWOWTGA-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1nocc1C ZINC001027710820 635121714 /nfs/dbraw/zinc/12/17/14/635121714.db2.gz BTFKGTXVWOWTGA-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nncs2)C1 ZINC000931475393 634500032 /nfs/dbraw/zinc/50/00/32/634500032.db2.gz TWRZEEDZWPROFZ-DTWKUNHWSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nncs2)C1 ZINC000931475393 634500039 /nfs/dbraw/zinc/50/00/39/634500039.db2.gz TWRZEEDZWPROFZ-DTWKUNHWSA-N 1 2 227.333 1.537 20 0 BDADLO COC[C@@](C)([NH2+]CCC(C)C)C(=O)OC ZINC000121156237 634534688 /nfs/dbraw/zinc/53/46/88/634534688.db2.gz HAHVMQOIGCXMPP-LLVKDONJSA-N 1 2 217.309 1.200 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCSC2)[nH+]cn1 ZINC000893574308 635177342 /nfs/dbraw/zinc/17/73/42/635177342.db2.gz VVHGUHGYUODJDA-SECBINFHSA-N 1 2 238.360 1.708 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCSC2)nc[nH+]1 ZINC000893574308 635177345 /nfs/dbraw/zinc/17/73/45/635177345.db2.gz VVHGUHGYUODJDA-SECBINFHSA-N 1 2 238.360 1.708 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001172941811 975000159 /nfs/dbraw/zinc/00/01/59/975000159.db2.gz GYDDHPQJCQIMLT-GMTAPVOTSA-N 1 2 249.301 1.646 20 0 BDADLO CCCNc1cc(N2CC[C@@H](CO)C2)nc[nH+]1 ZINC000163093116 635401143 /nfs/dbraw/zinc/40/11/43/635401143.db2.gz NKXZSYABXQLZBC-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CCCNc1cc(N2CC[C@@H](CO)C2)[nH+]cn1 ZINC000163093116 635401157 /nfs/dbraw/zinc/40/11/57/635401157.db2.gz NKXZSYABXQLZBC-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CCCNc1cc(N[C@@H](C)C[C@H](C)O)nc[nH+]1 ZINC000228275198 635459477 /nfs/dbraw/zinc/45/94/77/635459477.db2.gz GOLDYBQGVAWITI-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@@H](C)C[C@H](C)O)[nH+]cn1 ZINC000228275198 635459482 /nfs/dbraw/zinc/45/94/82/635459482.db2.gz GOLDYBQGVAWITI-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO Cc1cnnc(N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000235501978 635578972 /nfs/dbraw/zinc/57/89/72/635578972.db2.gz ZQAVLTMGBHAKKT-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]1C1CCCC1 ZINC000889408162 635598359 /nfs/dbraw/zinc/59/83/59/635598359.db2.gz XYSGMGCXVVUOEH-CYBMUJFWSA-N 1 2 247.342 1.754 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000933328511 631259049 /nfs/dbraw/zinc/25/90/49/631259049.db2.gz XJIJSMANRRICCW-NSHDSACASA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1ccsc1 ZINC000933328511 631259053 /nfs/dbraw/zinc/25/90/53/631259053.db2.gz XJIJSMANRRICCW-NSHDSACASA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1CCc1cncs1 ZINC000933330864 631263234 /nfs/dbraw/zinc/26/32/34/631263234.db2.gz KATZTPRFRYIFDG-SNVBAGLBSA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@@H]1COCC[N@H+]1CCc1cncs1 ZINC000933330864 631263237 /nfs/dbraw/zinc/26/32/37/631263237.db2.gz KATZTPRFRYIFDG-SNVBAGLBSA-N 1 2 242.344 1.033 20 0 BDADLO CCCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308393085 631310052 /nfs/dbraw/zinc/31/00/52/631310052.db2.gz QXHQSSQMXQYARW-UHFFFAOYSA-N 1 2 221.304 1.860 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CC=CCC2)c[nH+]1 ZINC000308376324 631311979 /nfs/dbraw/zinc/31/19/79/631311979.db2.gz NBLVFRBVAPHEND-LLVKDONJSA-N 1 2 231.299 1.636 20 0 BDADLO Nc1ccc(CNC(=O)C[C@@H]2CCCCO2)c[nH+]1 ZINC000308381571 631314389 /nfs/dbraw/zinc/31/43/89/631314389.db2.gz VQQBZIMIHQCUSJ-NSHDSACASA-N 1 2 249.314 1.239 20 0 BDADLO CCN(C(C)=O)C1C[NH+](Cc2cnccc2C)C1 ZINC000949544232 631338673 /nfs/dbraw/zinc/33/86/73/631338673.db2.gz CFQTWXBBOQSVRQ-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CC(C)(C[NH+]1CCOCC1)Nc1nccs1 ZINC000308667155 631351624 /nfs/dbraw/zinc/35/16/24/631351624.db2.gz KPQFAAXUVHVNKF-UHFFFAOYSA-N 1 2 241.360 1.666 20 0 BDADLO CCc1nc(CC)n(Cc2ccc(N)[nH+]c2)n1 ZINC000088743789 631493295 /nfs/dbraw/zinc/49/32/95/631493295.db2.gz GQCXRTDYSOILGN-UHFFFAOYSA-N 1 2 231.303 1.428 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)oc1C ZINC000093050366 631563596 /nfs/dbraw/zinc/56/35/96/631563596.db2.gz WCSHTROZEQHKGU-LBPRGKRZSA-N 1 2 236.315 1.607 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)oc1C ZINC000093050366 631563604 /nfs/dbraw/zinc/56/36/04/631563604.db2.gz WCSHTROZEQHKGU-LBPRGKRZSA-N 1 2 236.315 1.607 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CCS1 ZINC000247541362 631568675 /nfs/dbraw/zinc/56/86/75/631568675.db2.gz PDNPFFUUWSTCJK-BDAKNGLRSA-N 1 2 215.318 1.129 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H]2CCOC2=O)CCS1 ZINC000247541362 631568682 /nfs/dbraw/zinc/56/86/82/631568682.db2.gz PDNPFFUUWSTCJK-BDAKNGLRSA-N 1 2 215.318 1.129 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000934011038 631588154 /nfs/dbraw/zinc/58/81/54/631588154.db2.gz IMOLSJKGRPRTKJ-SNVBAGLBSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cncc(Cl)c1 ZINC000934011038 631588158 /nfs/dbraw/zinc/58/81/58/631588158.db2.gz IMOLSJKGRPRTKJ-SNVBAGLBSA-N 1 2 212.680 1.302 20 0 BDADLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H]1CO ZINC000934025310 631601605 /nfs/dbraw/zinc/60/16/05/631601605.db2.gz FJSRFRYMYWSUIH-JQWIXIFHSA-N 1 2 234.299 1.080 20 0 BDADLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H]1CO ZINC000934025310 631601613 /nfs/dbraw/zinc/60/16/13/631601613.db2.gz FJSRFRYMYWSUIH-JQWIXIFHSA-N 1 2 234.299 1.080 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000934026412 631605462 /nfs/dbraw/zinc/60/54/62/631605462.db2.gz FSQNUIAWRVBQFN-LLVKDONJSA-N 1 2 245.282 1.303 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000934026412 631605465 /nfs/dbraw/zinc/60/54/65/631605465.db2.gz FSQNUIAWRVBQFN-LLVKDONJSA-N 1 2 245.282 1.303 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934023804 631624367 /nfs/dbraw/zinc/62/43/67/631624367.db2.gz MDIKLCPHHRQDNQ-CQSZACIVSA-N 1 2 243.310 1.439 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934023804 631624370 /nfs/dbraw/zinc/62/43/70/631624370.db2.gz MDIKLCPHHRQDNQ-CQSZACIVSA-N 1 2 243.310 1.439 20 0 BDADLO OC[C@@H]1CC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000934028211 631626824 /nfs/dbraw/zinc/62/68/24/631626824.db2.gz YDKUVDRDMXRYMK-GZMMTYOYSA-N 1 2 243.253 1.065 20 0 BDADLO OC[C@@H]1CC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000934028211 631626827 /nfs/dbraw/zinc/62/68/27/631626827.db2.gz YDKUVDRDMXRYMK-GZMMTYOYSA-N 1 2 243.253 1.065 20 0 BDADLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2CO)c1 ZINC000934031250 631631183 /nfs/dbraw/zinc/63/11/83/631631183.db2.gz PJJNUWOZVDJWID-YPMHNXCESA-N 1 2 248.326 1.389 20 0 BDADLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2CO)c1 ZINC000934031250 631631187 /nfs/dbraw/zinc/63/11/87/631631187.db2.gz PJJNUWOZVDJWID-YPMHNXCESA-N 1 2 248.326 1.389 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccco1 ZINC000308815087 631665679 /nfs/dbraw/zinc/66/56/79/631665679.db2.gz AVJWXKFHJCYPNN-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cnns1 ZINC000934107285 631675594 /nfs/dbraw/zinc/67/55/94/631675594.db2.gz LCELUDQDSKTQDW-RKDXNWHRSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cnns1 ZINC000934107285 631675600 /nfs/dbraw/zinc/67/56/00/631675600.db2.gz LCELUDQDSKTQDW-RKDXNWHRSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cnns1 ZINC000934107278 631675758 /nfs/dbraw/zinc/67/57/58/631675758.db2.gz LCELUDQDSKTQDW-BDAKNGLRSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cnns1 ZINC000934107278 631675764 /nfs/dbraw/zinc/67/57/64/631675764.db2.gz LCELUDQDSKTQDW-BDAKNGLRSA-N 1 2 213.306 1.147 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934396250 631821086 /nfs/dbraw/zinc/82/10/86/631821086.db2.gz PHNZTINUJVIBNJ-UWVGGRQHSA-N 1 2 227.304 1.239 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934396256 631821497 /nfs/dbraw/zinc/82/14/97/631821497.db2.gz PHNZTINUJVIBNJ-ZJUUUORDSA-N 1 2 227.304 1.239 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2ccns2)C[C@@H]1F ZINC000934568890 631936331 /nfs/dbraw/zinc/93/63/31/631936331.db2.gz WNAWTUKETNQXIW-VHSXEESVSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1F ZINC000934568890 631936334 /nfs/dbraw/zinc/93/63/34/631936334.db2.gz WNAWTUKETNQXIW-VHSXEESVSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2cscn2)C[C@@H]1F ZINC000934574471 631946230 /nfs/dbraw/zinc/94/62/30/631946230.db2.gz SUQQTFQFNRFJPI-VHSXEESVSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2cscn2)C[C@@H]1F ZINC000934574471 631946234 /nfs/dbraw/zinc/94/62/34/631946234.db2.gz SUQQTFQFNRFJPI-VHSXEESVSA-N 1 2 230.308 1.090 20 0 BDADLO CC[NH2+]Cc1noc(CC2CCCC2)n1 ZINC000051860540 631971679 /nfs/dbraw/zinc/97/16/79/631971679.db2.gz BOGJSUWOSDFUGP-UHFFFAOYSA-N 1 2 209.293 1.912 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000253013717 635716418 /nfs/dbraw/zinc/71/64/18/635716418.db2.gz FLJZLHHTKPDPPS-VWYCJHECSA-N 1 2 231.336 1.589 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(F)C1 ZINC000935341929 632638537 /nfs/dbraw/zinc/63/85/37/632638537.db2.gz AKSYFNPLPLYOMD-UHFFFAOYSA-N 1 2 219.219 1.357 20 0 BDADLO CC/C=C(\C)C(=O)NCc1c[nH+]cn1C ZINC000291347968 632651599 /nfs/dbraw/zinc/65/15/99/632651599.db2.gz XEMXXRVJWXGQEM-WEVVVXLNSA-N 1 2 207.277 1.393 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCc2c[nH+]cn2C)C1 ZINC000291329857 632652364 /nfs/dbraw/zinc/65/23/64/632652364.db2.gz VJWUETCKYOPAOT-OTXQMUPVSA-N 1 2 233.315 1.783 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnnn2C)sc1C ZINC000309730609 632660948 /nfs/dbraw/zinc/66/09/48/632660948.db2.gz ZRPQLYYMTPHXIV-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162268057 632842627 /nfs/dbraw/zinc/84/26/27/632842627.db2.gz LRUPEUMDWLTIAS-UHFFFAOYSA-N 1 2 208.265 1.207 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCc1cc[nH+]c(N)c1 ZINC000309319395 632932091 /nfs/dbraw/zinc/93/20/91/632932091.db2.gz ZZJKMQJDNCUGNC-SNVBAGLBSA-N 1 2 226.251 1.701 20 0 BDADLO COC[C@@H](C)[NH2+][C@H](CC(C)C)C(=O)OC ZINC000053173418 633067898 /nfs/dbraw/zinc/06/78/98/633067898.db2.gz BHURIQWYJKNKRO-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO CC(C)COC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000309422899 633052567 /nfs/dbraw/zinc/05/25/67/633052567.db2.gz AEXMFOTXIBFLQO-UHFFFAOYSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001006553915 633110685 /nfs/dbraw/zinc/11/06/85/633110685.db2.gz RKHXISUCVOJQFE-SECBINFHSA-N 1 2 234.290 1.285 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001006553915 633110686 /nfs/dbraw/zinc/11/06/86/633110686.db2.gz RKHXISUCVOJQFE-SECBINFHSA-N 1 2 234.290 1.285 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCSC2)[nH+]cn1 ZINC000892703459 633159262 /nfs/dbraw/zinc/15/92/62/633159262.db2.gz LSWVBCNDWCVMLF-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCSC2)nc[nH+]1 ZINC000892703459 633159264 /nfs/dbraw/zinc/15/92/64/633159264.db2.gz LSWVBCNDWCVMLF-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894758701 635922862 /nfs/dbraw/zinc/92/28/62/635922862.db2.gz LSJAJAIJLQIINY-ZBOXLXRLSA-N 1 2 243.347 1.610 20 0 BDADLO C[C@H]([C@H](C)Nc1nccs1)[NH+]1CCOCC1 ZINC000309736738 633235191 /nfs/dbraw/zinc/23/51/91/633235191.db2.gz CMIVACRBSTXLDT-VHSXEESVSA-N 1 2 241.360 1.664 20 0 BDADLO Cc1nnc(C[NH+]2CCC(c3cn[nH]c3)CC2)[nH]1 ZINC000428415011 635949957 /nfs/dbraw/zinc/94/99/57/635949957.db2.gz SQXTYRWYJKDUDQ-UHFFFAOYSA-N 1 2 246.318 1.216 20 0 BDADLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029199683 636021278 /nfs/dbraw/zinc/02/12/78/636021278.db2.gz NPBOSPOMPYHFRF-TXEJJXNPSA-N 1 2 240.322 1.597 20 0 BDADLO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029199683 636021282 /nfs/dbraw/zinc/02/12/82/636021282.db2.gz NPBOSPOMPYHFRF-TXEJJXNPSA-N 1 2 240.322 1.597 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cccnc1 ZINC000895118067 636064974 /nfs/dbraw/zinc/06/49/74/636064974.db2.gz YUCRFQJGEBXPQD-AXFHLTTASA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cccnc1 ZINC000895118067 636064976 /nfs/dbraw/zinc/06/49/76/636064976.db2.gz YUCRFQJGEBXPQD-AXFHLTTASA-N 1 2 233.315 1.179 20 0 BDADLO CNc1cc(NCc2cc(C)ccn2)nc[nH+]1 ZINC000328164189 633740139 /nfs/dbraw/zinc/74/01/39/633740139.db2.gz ISSBKALFOYDJOS-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO CNc1cc(NCc2cc(C)ccn2)[nH+]cn1 ZINC000328164189 633740146 /nfs/dbraw/zinc/74/01/46/633740146.db2.gz ISSBKALFOYDJOS-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCOC1=O)c1ccccc1 ZINC000020084932 633809115 /nfs/dbraw/zinc/80/91/15/633809115.db2.gz ZRFWANBRUDBSNZ-PWSUYJOCSA-N 1 2 219.284 1.695 20 0 BDADLO COC[C@H](OC)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000924102385 633889039 /nfs/dbraw/zinc/88/90/39/633889039.db2.gz XRUBNOMXQDRSHE-SFYZADRCSA-N 1 2 229.280 1.026 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000309925482 633945516 /nfs/dbraw/zinc/94/55/16/633945516.db2.gz VDKNEZAOZRZVIN-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](CCO)C1CC1 ZINC000309951867 633971325 /nfs/dbraw/zinc/97/13/25/633971325.db2.gz GKLHQPQYSMOICO-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000309682218 633986893 /nfs/dbraw/zinc/98/68/93/633986893.db2.gz NMOJUULBPBURRS-LBPRGKRZSA-N 1 2 231.336 1.182 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1C ZINC000895477497 636149524 /nfs/dbraw/zinc/14/95/24/636149524.db2.gz KWRSGEGDFFYACH-NSHDSACASA-N 1 2 237.347 1.619 20 0 BDADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2CC2)[nH]n1 ZINC000895599456 636163615 /nfs/dbraw/zinc/16/36/15/636163615.db2.gz KZEOUINULXKTAL-LBPRGKRZSA-N 1 2 248.330 1.316 20 0 BDADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2CC2)[nH]n1 ZINC000895599456 636163616 /nfs/dbraw/zinc/16/36/16/636163616.db2.gz KZEOUINULXKTAL-LBPRGKRZSA-N 1 2 248.330 1.316 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC ZINC000310014141 634072621 /nfs/dbraw/zinc/07/26/21/634072621.db2.gz KAEIVTQYZWAIOQ-QWRGUYRKSA-N 1 2 229.320 1.079 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH]cn1)[C@@H](O)C(F)(F)F ZINC000310022045 634082742 /nfs/dbraw/zinc/08/27/42/634082742.db2.gz NVNYWXAMKAYKKL-HTQZYQBOSA-N 1 2 237.225 1.201 20 0 BDADLO C[C@H]([NH2+]Cc1ccncc1)c1nnnn1C1CC1 ZINC000191828512 634223154 /nfs/dbraw/zinc/22/31/54/634223154.db2.gz ZRKLAFFHFGLDKR-VIFPVBQESA-N 1 2 244.302 1.254 20 0 BDADLO C/C=C(\C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980936785 635303923 /nfs/dbraw/zinc/30/39/23/635303923.db2.gz IDUHEPJZTMZLJY-QDEBKDIKSA-N 1 2 228.311 1.456 20 0 BDADLO C/C=C(\C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980936785 635303937 /nfs/dbraw/zinc/30/39/37/635303937.db2.gz IDUHEPJZTMZLJY-QDEBKDIKSA-N 1 2 228.311 1.456 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)c2ccccc2)no1 ZINC000235930706 635591573 /nfs/dbraw/zinc/59/15/73/635591573.db2.gz UFODQDAXRVXYAR-LLVKDONJSA-N 1 2 233.271 1.201 20 0 BDADLO Cc1coc(C[N@H+](C)CC(=O)NC2CC2)c1 ZINC000893909896 635638975 /nfs/dbraw/zinc/63/89/75/635638975.db2.gz ACIRCAVZLODTFA-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1coc(C[N@@H+](C)CC(=O)NC2CC2)c1 ZINC000893909896 635638988 /nfs/dbraw/zinc/63/89/88/635638988.db2.gz ACIRCAVZLODTFA-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1ncccc1N(C)C ZINC000894796262 635925715 /nfs/dbraw/zinc/92/57/15/635925715.db2.gz YQKLBJBTZXRJJX-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CO[C@H]1CC[C@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000894938624 636009884 /nfs/dbraw/zinc/00/98/84/636009884.db2.gz BDPRTEGGBUISLJ-QWRGUYRKSA-N 1 2 246.314 1.733 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ncco2)o1 ZINC000925123561 636121327 /nfs/dbraw/zinc/12/13/27/636121327.db2.gz MHCOJOPXAXSFBT-ZJUUUORDSA-N 1 2 236.271 1.960 20 0 BDADLO C[N@@H+]1CC[C@H]1CNCc1c(F)ccc(O)c1F ZINC000896594525 636205131 /nfs/dbraw/zinc/20/51/31/636205131.db2.gz IHDMXSHJSVCNLR-QMMMGPOBSA-N 1 2 242.269 1.464 20 0 BDADLO C[N@H+]1CC[C@H]1CNCc1c(F)ccc(O)c1F ZINC000896594525 636205136 /nfs/dbraw/zinc/20/51/36/636205136.db2.gz IHDMXSHJSVCNLR-QMMMGPOBSA-N 1 2 242.269 1.464 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H](C1CC1)C1CCC1 ZINC000909566949 636256016 /nfs/dbraw/zinc/25/60/16/636256016.db2.gz XHGUDTBZIOSSBZ-CYBMUJFWSA-N 1 2 233.315 1.647 20 0 BDADLO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000304036897 636320245 /nfs/dbraw/zinc/32/02/45/636320245.db2.gz HVCFJJSXMYCZIU-CYBMUJFWSA-N 1 2 231.299 1.541 20 0 BDADLO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ncco1 ZINC000925287312 636727511 /nfs/dbraw/zinc/72/75/11/636727511.db2.gz COXTVFJPTRORCX-LPEHRKFASA-N 1 2 208.261 1.262 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccns2)CCO1 ZINC000929109092 636804983 /nfs/dbraw/zinc/80/49/83/636804983.db2.gz IYVKJJFZOZVDIP-SECBINFHSA-N 1 2 212.318 1.406 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC000929109092 636804985 /nfs/dbraw/zinc/80/49/85/636804985.db2.gz IYVKJJFZOZVDIP-SECBINFHSA-N 1 2 212.318 1.406 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046887577 636872968 /nfs/dbraw/zinc/87/29/68/636872968.db2.gz QBCISPUDTJHMPL-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C\CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000899141711 637076747 /nfs/dbraw/zinc/07/67/47/637076747.db2.gz GJQMRWMZAIGSON-WAYWQWQTSA-N 1 2 221.304 1.619 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000900946591 637206858 /nfs/dbraw/zinc/20/68/58/637206858.db2.gz OQBPUIWJEKUNCJ-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)CNc1cccc[nH+]1 ZINC000901029258 637229884 /nfs/dbraw/zinc/22/98/84/637229884.db2.gz MIELVLAFWJCUFQ-PHIMTYICSA-N 1 2 233.315 1.893 20 0 BDADLO COC(C)(C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268888 637394955 /nfs/dbraw/zinc/39/49/55/637394955.db2.gz MIEHLHOBKQGCFP-UHFFFAOYSA-N 1 2 248.286 1.904 20 0 BDADLO CC[NH2+]Cc1noc(/C=C/c2cn(C)cn2)n1 ZINC000904493742 637421663 /nfs/dbraw/zinc/42/16/63/637421663.db2.gz GILPXLBPOIXJPJ-SNAWJCMRSA-N 1 2 233.275 1.083 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC000904501020 637427924 /nfs/dbraw/zinc/42/79/24/637427924.db2.gz RXDBPIMRDQAPPB-BIIVNPBRSA-N 1 2 235.287 1.070 20 0 BDADLO CN(C)c1cc(/C=C\N2CCCC2=O)cc[nH+]1 ZINC000904849276 637507565 /nfs/dbraw/zinc/50/75/65/637507565.db2.gz KFXMWDTXTMPOMF-TWGQIWQCSA-N 1 2 231.299 1.741 20 0 BDADLO NC(=O)c1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000904896083 637527275 /nfs/dbraw/zinc/52/72/75/637527275.db2.gz YBZZHUPREMMUAL-UHFFFAOYSA-N 1 2 241.294 1.985 20 0 BDADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)C1(O)CCCC1 ZINC000905260472 637715400 /nfs/dbraw/zinc/71/54/00/637715400.db2.gz BWWNOMGXUPXNMZ-VHSXEESVSA-N 1 2 249.301 1.430 20 0 BDADLO CC(C)CC[C@@H](N)c1nc(C2([NH3+])CC2)no1 ZINC000905332497 637780933 /nfs/dbraw/zinc/78/09/33/637780933.db2.gz WDBZSEGEBOBSJJ-MRVPVSSYSA-N 1 2 224.308 1.453 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H]1C=CCC1)C(=O)OC ZINC000905780905 637911110 /nfs/dbraw/zinc/91/11/10/637911110.db2.gz UASGHWCEEXQFNX-GARJFASQSA-N 1 2 211.305 1.882 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000905774536 637929627 /nfs/dbraw/zinc/92/96/27/637929627.db2.gz PUFQYPNLUGMHOD-NAKRPEOUSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1cccc([C@@H](O)C[NH+]2CC3(C2)CCCO3)c1 ZINC000905965477 637983916 /nfs/dbraw/zinc/98/39/16/637983916.db2.gz MKDYPKTZYLEWGK-AWEZNQCLSA-N 1 2 247.338 1.893 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)C/C=C\Cl ZINC000906025707 638026394 /nfs/dbraw/zinc/02/63/94/638026394.db2.gz QQFBSTWIRYRXOK-IHWYPQMZSA-N 1 2 234.708 1.087 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCC(O)CC2)c(C)[nH+]1 ZINC000906046984 638034593 /nfs/dbraw/zinc/03/45/93/638034593.db2.gz DYMGXIMLIITPFJ-UHFFFAOYSA-N 1 2 248.326 1.604 20 0 BDADLO c1c(C[N@H+]2[C@H]3C=CC[C@@H]2CC3)nnn1C1CC1 ZINC000906284396 638127398 /nfs/dbraw/zinc/12/73/98/638127398.db2.gz ZBOUKWZFUKRBAV-NWDGAFQWSA-N 1 2 230.315 1.906 20 0 BDADLO c1c(C[N@@H+]2[C@H]3C=CC[C@@H]2CC3)nnn1C1CC1 ZINC000906284396 638127400 /nfs/dbraw/zinc/12/74/00/638127400.db2.gz ZBOUKWZFUKRBAV-NWDGAFQWSA-N 1 2 230.315 1.906 20 0 BDADLO CC1(CCC(=O)NCc2ccc(N)[nH+]c2)CC1 ZINC000906635940 638225044 /nfs/dbraw/zinc/22/50/44/638225044.db2.gz QANNKZWHWDOEPR-UHFFFAOYSA-N 1 2 233.315 1.860 20 0 BDADLO CCN(CC(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000907351594 638358023 /nfs/dbraw/zinc/35/80/23/638358023.db2.gz FGCPDHYTRJXZGU-UHFFFAOYSA-N 1 2 217.219 1.066 20 0 BDADLO CC[C@H](CC(F)(F)F)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907384631 638370120 /nfs/dbraw/zinc/37/01/20/638370120.db2.gz NZFRYVWRUJZTDW-SSDOTTSWSA-N 1 2 249.236 1.799 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907485336 638389417 /nfs/dbraw/zinc/38/94/17/638389417.db2.gz FCJCBPIGOGKXJM-MWLCHTKSSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H]1CC2(CCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907751072 638461587 /nfs/dbraw/zinc/46/15/87/638461587.db2.gz OXTMBDRNWXYCFC-SNVBAGLBSA-N 1 2 233.315 1.743 20 0 BDADLO CC1=CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907950169 638520389 /nfs/dbraw/zinc/52/03/89/638520389.db2.gz DFCCUMVAWZNRDT-UHFFFAOYSA-N 1 2 205.261 1.131 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907971987 638530607 /nfs/dbraw/zinc/53/06/07/638530607.db2.gz DWHJBTDDYXZHIR-VHSXEESVSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907998830 638536076 /nfs/dbraw/zinc/53/60/76/638536076.db2.gz YKGKISDUNIBXTF-NXEZZACHSA-N 1 2 236.319 1.246 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1NC(=O)Cc1[nH]cc[nH+]1 ZINC000907990354 638540656 /nfs/dbraw/zinc/54/06/56/638540656.db2.gz WTOJBODEGSDAGK-AOOOYVTPSA-N 1 2 236.319 1.246 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC[C@@H]2C[C@@H]21 ZINC000908133571 638577961 /nfs/dbraw/zinc/57/79/61/638577961.db2.gz NOSDRUDIDHCCRF-MNOVXSKESA-N 1 2 231.299 1.504 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCC1(F)F ZINC000908218982 638617962 /nfs/dbraw/zinc/61/79/62/638617962.db2.gz IQGUEGRCSSIIMY-QMMMGPOBSA-N 1 2 229.230 1.256 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908303112 638650383 /nfs/dbraw/zinc/65/03/83/638650383.db2.gz GUVGIJHHBKTDQS-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000910092355 639371740 /nfs/dbraw/zinc/37/17/40/639371740.db2.gz ZDQIBLIRLMIGQJ-SSDOTTSWSA-N 1 2 247.302 1.170 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccn1 ZINC000910346204 639421471 /nfs/dbraw/zinc/42/14/71/639421471.db2.gz YKOUZGKXUSZFIN-NSHDSACASA-N 1 2 244.298 1.546 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910462999 639458925 /nfs/dbraw/zinc/45/89/25/639458925.db2.gz YVCGMUGZVXOILT-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910932058 639533702 /nfs/dbraw/zinc/53/37/02/639533702.db2.gz HRIHGITZUODOPM-KXUCPTDWSA-N 1 2 221.304 1.455 20 0 BDADLO CO[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CC(C)C ZINC000910913644 639535772 /nfs/dbraw/zinc/53/57/72/639535772.db2.gz ZTAXAYPRVTWJNG-NSHDSACASA-N 1 2 239.319 1.130 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000911329836 639620583 /nfs/dbraw/zinc/62/05/83/639620583.db2.gz GAABTRDCVDZXQP-JGPRNRPPSA-N 1 2 231.299 1.408 20 0 BDADLO COC[C@H](C[N@H+](C)Cc1noc(C)n1)C(C)C ZINC000930240895 639648934 /nfs/dbraw/zinc/64/89/34/639648934.db2.gz COSDVGKJWVHANW-NSHDSACASA-N 1 2 241.335 1.728 20 0 BDADLO COC[C@H](C[N@@H+](C)Cc1noc(C)n1)C(C)C ZINC000930240895 639648938 /nfs/dbraw/zinc/64/89/38/639648938.db2.gz COSDVGKJWVHANW-NSHDSACASA-N 1 2 241.335 1.728 20 0 BDADLO Cc1ccc(F)c(C[NH2+]C2(C(N)=O)CC2)c1F ZINC000930242924 639654436 /nfs/dbraw/zinc/65/44/36/639654436.db2.gz CDMFGFODSWDCSF-UHFFFAOYSA-N 1 2 240.253 1.381 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC2CCC1CC2 ZINC000911498085 639656094 /nfs/dbraw/zinc/65/60/94/639656094.db2.gz PCIKBIXVXLOROE-HTAVTVPLSA-N 1 2 247.342 1.895 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930252367 639661796 /nfs/dbraw/zinc/66/17/96/639661796.db2.gz UZYGSHNQQYTLSQ-XRBRAWTHSA-N 1 2 241.331 1.603 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930252367 639661804 /nfs/dbraw/zinc/66/18/04/639661804.db2.gz UZYGSHNQQYTLSQ-XRBRAWTHSA-N 1 2 241.331 1.603 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000911608465 639677175 /nfs/dbraw/zinc/67/71/75/639677175.db2.gz NFMLSMIZPSOLIV-SDDRHHMPSA-N 1 2 245.326 1.798 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1noc2c1COCC2 ZINC000930475108 639772567 /nfs/dbraw/zinc/77/25/67/639772567.db2.gz ALCMYTQIMLXKCB-VIFPVBQESA-N 1 2 240.303 1.214 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1noc2c1COCC2 ZINC000930475108 639772576 /nfs/dbraw/zinc/77/25/76/639772576.db2.gz ALCMYTQIMLXKCB-VIFPVBQESA-N 1 2 240.303 1.214 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1c(F)cncc1F ZINC000930488997 639778594 /nfs/dbraw/zinc/77/85/94/639778594.db2.gz OBTZUXJKRIIVDU-VIFPVBQESA-N 1 2 244.285 1.953 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1c(F)cncc1F ZINC000930488997 639778598 /nfs/dbraw/zinc/77/85/98/639778598.db2.gz OBTZUXJKRIIVDU-VIFPVBQESA-N 1 2 244.285 1.953 20 0 BDADLO C[C@H]([N@H+](C)Cc1c(F)cncc1F)C(C)(C)O ZINC000930613546 639823206 /nfs/dbraw/zinc/82/32/06/639823206.db2.gz ISONGRPQLRIFHS-QMMMGPOBSA-N 1 2 244.285 1.951 20 0 BDADLO C[C@H]([N@@H+](C)Cc1c(F)cncc1F)C(C)(C)O ZINC000930613546 639823209 /nfs/dbraw/zinc/82/32/09/639823209.db2.gz ISONGRPQLRIFHS-QMMMGPOBSA-N 1 2 244.285 1.951 20 0 BDADLO CC(=O)C1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000930624917 639828025 /nfs/dbraw/zinc/82/80/25/639828025.db2.gz BIJDSCOTDCURQH-UHFFFAOYSA-N 1 2 235.331 1.828 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930652533 639845300 /nfs/dbraw/zinc/84/53/00/639845300.db2.gz LDVZPHZEJFTCPG-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930652533 639845304 /nfs/dbraw/zinc/84/53/04/639845304.db2.gz LDVZPHZEJFTCPG-MWLCHTKSSA-N 1 2 238.331 1.927 20 0 BDADLO O[C@H]1CC[N@H+](Cc2nncs2)C2(CCC2)C1 ZINC000930752824 639898441 /nfs/dbraw/zinc/89/84/41/639898441.db2.gz AVNCKURUZVYYEO-VIFPVBQESA-N 1 2 239.344 1.418 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2nncs2)C2(CCC2)C1 ZINC000930752824 639898443 /nfs/dbraw/zinc/89/84/43/639898443.db2.gz AVNCKURUZVYYEO-VIFPVBQESA-N 1 2 239.344 1.418 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000930759069 639899515 /nfs/dbraw/zinc/89/95/15/639899515.db2.gz MIWZOSXELMZROT-SFYZADRCSA-N 1 2 211.265 1.253 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000930759069 639899519 /nfs/dbraw/zinc/89/95/19/639899519.db2.gz MIWZOSXELMZROT-SFYZADRCSA-N 1 2 211.265 1.253 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCc2cccnc2)C1 ZINC000930761243 639903809 /nfs/dbraw/zinc/90/38/09/639903809.db2.gz MLPLVESJCCUCTO-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCc2cccnc2)C1 ZINC000930761243 639903813 /nfs/dbraw/zinc/90/38/13/639903813.db2.gz MLPLVESJCCUCTO-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000930828455 639931171 /nfs/dbraw/zinc/93/11/71/639931171.db2.gz YGKRISJDRYWYER-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000930828455 639931178 /nfs/dbraw/zinc/93/11/78/639931178.db2.gz YGKRISJDRYWYER-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000912070169 639945534 /nfs/dbraw/zinc/94/55/34/639945534.db2.gz VRMGUJWMBCILNR-ONGXEEELSA-N 1 2 219.288 1.353 20 0 BDADLO Cc1[nH]c(CN2C[C@H]3[C@@H](C2)C3(F)F)c(C)[nH+]1 ZINC000930865602 639959392 /nfs/dbraw/zinc/95/93/92/639959392.db2.gz RTNFLZPECDYJTJ-DTORHVGOSA-N 1 2 227.258 1.723 20 0 BDADLO CC(C)[C@@H](O)CC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930879783 639967827 /nfs/dbraw/zinc/96/78/27/639967827.db2.gz KPHPKYPEAOXCBL-GWCFXTLKSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1cc(C)[nH+]c(CN(C)Cc2cn(C)nn2)c1 ZINC000931016402 640021539 /nfs/dbraw/zinc/02/15/39/640021539.db2.gz SNMDCJIPAUEXSL-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCc2nccnc2C1 ZINC000931065782 640052870 /nfs/dbraw/zinc/05/28/70/640052870.db2.gz RADWRPOHAAQHNQ-JYOAFUTRSA-N 1 2 233.315 1.427 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCc2nccnc2C1 ZINC000931065782 640052876 /nfs/dbraw/zinc/05/28/76/640052876.db2.gz RADWRPOHAAQHNQ-JYOAFUTRSA-N 1 2 233.315 1.427 20 0 BDADLO COCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931136470 640072138 /nfs/dbraw/zinc/07/21/38/640072138.db2.gz QPKQLMMUUAZFNS-NSHDSACASA-N 1 2 238.335 1.758 20 0 BDADLO COCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931136470 640072145 /nfs/dbraw/zinc/07/21/45/640072145.db2.gz QPKQLMMUUAZFNS-NSHDSACASA-N 1 2 238.335 1.758 20 0 BDADLO COCCC1CC[NH+](Cc2nncs2)CC1 ZINC000931161956 640082262 /nfs/dbraw/zinc/08/22/62/640082262.db2.gz WCWQUMSZDMLCHE-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000912503530 640098821 /nfs/dbraw/zinc/09/88/21/640098821.db2.gz KXKSCJSYEFMOHH-MWLCHTKSSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@H](NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000912516050 640105022 /nfs/dbraw/zinc/10/50/22/640105022.db2.gz SGRZWBYBNONGSK-NSHDSACASA-N 1 2 233.315 1.798 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C2CCC2)C1 ZINC000912701533 640171916 /nfs/dbraw/zinc/17/19/16/640171916.db2.gz RTWJFUMMKYOUHQ-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO CO[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2C(F)F)C1 ZINC000931424842 640192912 /nfs/dbraw/zinc/19/29/12/640192912.db2.gz BUHPZEAFOMOASP-YIZRAAEISA-N 1 2 205.248 1.893 20 0 BDADLO CO[C@@H]1CC[C@H]([N@H+]2CC[C@H]2C(F)F)C1 ZINC000931424842 640192917 /nfs/dbraw/zinc/19/29/17/640192917.db2.gz BUHPZEAFOMOASP-YIZRAAEISA-N 1 2 205.248 1.893 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000931424525 640193755 /nfs/dbraw/zinc/19/37/55/640193755.db2.gz HWHHBIQMXUEBMR-YWVKMMECSA-N 1 2 217.259 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000931424525 640193764 /nfs/dbraw/zinc/19/37/64/640193764.db2.gz HWHHBIQMXUEBMR-YWVKMMECSA-N 1 2 217.259 1.752 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CC[C@H]2C(F)F)C[C@H](C)O1 ZINC000931425630 640195184 /nfs/dbraw/zinc/19/51/84/640195184.db2.gz GDGPMJMVCXCAOR-AXFHLTTASA-N 1 2 248.317 1.435 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CC[C@H]2C(F)F)C[C@H](C)O1 ZINC000931425630 640195188 /nfs/dbraw/zinc/19/51/88/640195188.db2.gz GDGPMJMVCXCAOR-AXFHLTTASA-N 1 2 248.317 1.435 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931460512 640217027 /nfs/dbraw/zinc/21/70/27/640217027.db2.gz YDDIWHWBBMOSRG-ZUYFITGHSA-N 1 2 249.314 1.448 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931460512 640217031 /nfs/dbraw/zinc/21/70/31/640217031.db2.gz YDDIWHWBBMOSRG-ZUYFITGHSA-N 1 2 249.314 1.448 20 0 BDADLO CC[C@@]1(O)CCC[N@H+](Cc2nncs2)C1 ZINC000931474709 640230928 /nfs/dbraw/zinc/23/09/28/640230928.db2.gz HUPPCUPCFSOQJL-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+](Cc2nncs2)C1 ZINC000931474709 640230934 /nfs/dbraw/zinc/23/09/34/640230934.db2.gz HUPPCUPCFSOQJL-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO Cc1cn[nH]c1CN1CCc2[nH+]ccc(N)c2C1 ZINC000931516114 640244895 /nfs/dbraw/zinc/24/48/95/640244895.db2.gz HQJWZHCPMAQUFB-UHFFFAOYSA-N 1 2 243.314 1.254 20 0 BDADLO CCC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)OCC ZINC000912975663 640259580 /nfs/dbraw/zinc/25/95/80/640259580.db2.gz KQEVDHTTWOZSNE-LLVKDONJSA-N 1 2 239.319 1.274 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(Cc2ccco2)C1 ZINC000913014862 640283008 /nfs/dbraw/zinc/28/30/08/640283008.db2.gz ZZKSHVMVWOGDNB-UHFFFAOYSA-N 1 2 245.282 1.246 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913057365 640295926 /nfs/dbraw/zinc/29/59/26/640295926.db2.gz LOTJAAZJJGMUDN-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO C/C=C/CNC(=O)CNc1cccc[nH+]1 ZINC000913166379 640314862 /nfs/dbraw/zinc/31/48/62/640314862.db2.gz OBOYOEMNWLZKEZ-NSCUHMNNSA-N 1 2 205.261 1.186 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931921535 640390053 /nfs/dbraw/zinc/39/00/53/640390053.db2.gz HJMROLVWILRLNF-OCCSQVGLSA-N 1 2 231.295 1.433 20 0 BDADLO COC(=O)C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931921535 640390054 /nfs/dbraw/zinc/39/00/54/640390054.db2.gz HJMROLVWILRLNF-OCCSQVGLSA-N 1 2 231.295 1.433 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932261125 640463511 /nfs/dbraw/zinc/46/35/11/640463511.db2.gz HVJQUFGQFHEJEB-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932261125 640463512 /nfs/dbraw/zinc/46/35/12/640463512.db2.gz HVJQUFGQFHEJEB-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCO[C@H](C)CC1 ZINC000932340437 640483668 /nfs/dbraw/zinc/48/36/68/640483668.db2.gz DSIKWNYABWIAGY-NXEZZACHSA-N 1 2 236.319 1.231 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CCO[C@H](C)CC1 ZINC000932340437 640483674 /nfs/dbraw/zinc/48/36/74/640483674.db2.gz DSIKWNYABWIAGY-NXEZZACHSA-N 1 2 236.319 1.231 20 0 BDADLO CC(=O)NC1C[NH+](CCc2ccccc2F)C1 ZINC001030038957 640531261 /nfs/dbraw/zinc/53/12/61/640531261.db2.gz SOUIHDIROYRISK-UHFFFAOYSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H](F)CC[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030049042 640544794 /nfs/dbraw/zinc/54/47/94/640544794.db2.gz XFMWFEPCIMHHPD-QMMMGPOBSA-N 1 2 234.290 1.283 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccccc1F ZINC000056509504 640547889 /nfs/dbraw/zinc/54/78/89/640547889.db2.gz PBVXIWTZTSTLBV-UHFFFAOYSA-N 1 2 224.279 1.394 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccccc1F ZINC000056509504 640547892 /nfs/dbraw/zinc/54/78/92/640547892.db2.gz PBVXIWTZTSTLBV-UHFFFAOYSA-N 1 2 224.279 1.394 20 0 BDADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000932489843 640553553 /nfs/dbraw/zinc/55/35/53/640553553.db2.gz SQTIUSWKROZBRC-SCZZXKLOSA-N 1 2 237.303 1.462 20 0 BDADLO O=C(NC1C[NH+](CC2CC2)C1)c1cccs1 ZINC001030068344 640571464 /nfs/dbraw/zinc/57/14/64/640571464.db2.gz MITKBYNVFPBHDL-UHFFFAOYSA-N 1 2 236.340 1.572 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000932641970 640596643 /nfs/dbraw/zinc/59/66/43/640596643.db2.gz OWTCZISTJHENHK-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000932641970 640596648 /nfs/dbraw/zinc/59/66/48/640596648.db2.gz OWTCZISTJHENHK-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC000932644293 640597961 /nfs/dbraw/zinc/59/79/61/640597961.db2.gz IMHGARINCBMTSZ-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000932644293 640597965 /nfs/dbraw/zinc/59/79/65/640597965.db2.gz IMHGARINCBMTSZ-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO CC(C)C(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001030113722 640603758 /nfs/dbraw/zinc/60/37/58/640603758.db2.gz VLAAUHQPGLRZOZ-JQWIXIFHSA-N 1 2 240.347 1.010 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)[C@]12C[C@H]1CCC2 ZINC000932827037 640613185 /nfs/dbraw/zinc/61/31/85/640613185.db2.gz RHIXXNPMDIFFKN-ZWNOBZJWSA-N 1 2 231.299 1.457 20 0 BDADLO OCC1(C(F)(F)F)CC[NH+](CCF)CC1 ZINC000932828633 640613966 /nfs/dbraw/zinc/61/39/66/640613966.db2.gz XXEWELMTHCQALW-UHFFFAOYSA-N 1 2 229.217 1.593 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cnc(C)o1)C2 ZINC000933252352 640689365 /nfs/dbraw/zinc/68/93/65/640689365.db2.gz AAITVBDWXISBFG-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCOCCN1CC[N@H+](C)C[C@H]1CC(C)C ZINC000933245625 640689740 /nfs/dbraw/zinc/68/97/40/640689740.db2.gz HHXSDHTZVGUIPE-CYBMUJFWSA-N 1 2 228.380 1.685 20 0 BDADLO CCOCCN1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000933245625 640689742 /nfs/dbraw/zinc/68/97/42/640689742.db2.gz HHXSDHTZVGUIPE-CYBMUJFWSA-N 1 2 228.380 1.685 20 0 BDADLO Cc1cc(C(=O)NC2C[NH+](CCCF)C2)co1 ZINC001030250595 640707302 /nfs/dbraw/zinc/70/73/02/640707302.db2.gz PSQNDAYNZKSHTA-UHFFFAOYSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1noc(C[NH2+][C@]23C[C@H]2COC32CCC2)n1 ZINC000933389292 640711737 /nfs/dbraw/zinc/71/17/37/640711737.db2.gz PGRJHXMPNLIQPD-JOYOIKCWSA-N 1 2 235.287 1.179 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001030307316 640743998 /nfs/dbraw/zinc/74/39/98/640743998.db2.gz PWCLHZXWZWCSIV-NSHDSACASA-N 1 2 236.359 1.777 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001030308616 640745226 /nfs/dbraw/zinc/74/52/26/640745226.db2.gz KNJVQEAIUMFUSI-UHFFFAOYSA-N 1 2 248.330 1.042 20 0 BDADLO CCCCOC(=O)CC[NH+]1CCOCC1 ZINC000046437870 640766677 /nfs/dbraw/zinc/76/66/77/640766677.db2.gz BBONZYOYSUGYFA-UHFFFAOYSA-N 1 2 215.293 1.052 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933875081 640779706 /nfs/dbraw/zinc/77/97/06/640779706.db2.gz MQCHIUYMJMOJOP-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC000059370469 640807325 /nfs/dbraw/zinc/80/73/25/640807325.db2.gz KPJRYLQMDAPVNO-LLVKDONJSA-N 1 2 224.210 1.895 20 0 BDADLO N#CCOc1ccc(Cn2cc[nH+]c2)cc1 ZINC000059520725 640814824 /nfs/dbraw/zinc/81/48/24/640814824.db2.gz UVGFPAVXIULOHI-UHFFFAOYSA-N 1 2 213.240 1.834 20 0 BDADLO CC[NH+]1CC(NC(=O)c2[nH]c(C)cc2C)C1 ZINC001030535562 640901376 /nfs/dbraw/zinc/90/13/76/640901376.db2.gz VJPZMMKHTKRFNM-UHFFFAOYSA-N 1 2 221.304 1.065 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C)c(F)c2)C1 ZINC001030638000 641032339 /nfs/dbraw/zinc/03/23/39/641032339.db2.gz KVMMLNDNTARBFE-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO CC[C@H]1CN(c2cc(NC)[nH+]cn2)CCO1 ZINC000087812931 641050494 /nfs/dbraw/zinc/05/04/94/641050494.db2.gz AEVLEXMTFOBLIY-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CC[C@H]1CN(c2cc(NC)nc[nH+]2)CCO1 ZINC000087812931 641050500 /nfs/dbraw/zinc/05/05/00/641050500.db2.gz AEVLEXMTFOBLIY-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103512 641065365 /nfs/dbraw/zinc/06/53/65/641065365.db2.gz BMXNAJYGDOTLEH-ZJUUUORDSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000934103512 641065369 /nfs/dbraw/zinc/06/53/69/641065369.db2.gz BMXNAJYGDOTLEH-ZJUUUORDSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ncccn1 ZINC000934110372 641074395 /nfs/dbraw/zinc/07/43/95/641074395.db2.gz ZHLIHLAESRYEPF-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ncccn1 ZINC000934110372 641074398 /nfs/dbraw/zinc/07/43/98/641074398.db2.gz ZHLIHLAESRYEPF-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000934128882 641088570 /nfs/dbraw/zinc/08/85/70/641088570.db2.gz ZGXXTWZKAPYPJF-UJNFCWOMSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000934128882 641088574 /nfs/dbraw/zinc/08/85/74/641088574.db2.gz ZGXXTWZKAPYPJF-UJNFCWOMSA-N 1 2 225.292 1.548 20 0 BDADLO Cc1nc(NC[C@H](O)CC(C)C)cc[nH+]1 ZINC000230902204 641115181 /nfs/dbraw/zinc/11/51/81/641115181.db2.gz XMIUWVYALNDQPV-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231285247 641154255 /nfs/dbraw/zinc/15/42/55/641154255.db2.gz HMAKWAZSFMSEFA-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231285247 641154260 /nfs/dbraw/zinc/15/42/60/641154260.db2.gz HMAKWAZSFMSEFA-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO C[N@H+](Cc1ccccn1)Cc1cnc(N)cn1 ZINC000231295437 641158084 /nfs/dbraw/zinc/15/80/84/641158084.db2.gz IZMNIQKVZSHUFC-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1ccccn1)Cc1cnc(N)cn1 ZINC000231295437 641158088 /nfs/dbraw/zinc/15/80/88/641158088.db2.gz IZMNIQKVZSHUFC-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000932972518 641166317 /nfs/dbraw/zinc/16/63/17/641166317.db2.gz SNKYDTMJTARDEY-SCZZXKLOSA-N 1 2 224.308 1.285 20 0 BDADLO CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000932972518 641166324 /nfs/dbraw/zinc/16/63/24/641166324.db2.gz SNKYDTMJTARDEY-SCZZXKLOSA-N 1 2 224.308 1.285 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000932974243 641168702 /nfs/dbraw/zinc/16/87/02/641168702.db2.gz PISYBAXBKUKBEX-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000932974243 641168706 /nfs/dbraw/zinc/16/87/06/641168706.db2.gz PISYBAXBKUKBEX-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nnc(CC)s2)C1 ZINC000932974069 641171110 /nfs/dbraw/zinc/17/11/10/641171110.db2.gz ZWMQGRZPMZEOFS-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nnc(CC)s2)C1 ZINC000932974069 641171114 /nfs/dbraw/zinc/17/11/14/641171114.db2.gz ZWMQGRZPMZEOFS-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO Cc1nc(CC[N@@H+]2CC[C@@H](O)[C@H](F)C2)cs1 ZINC000934570661 641199172 /nfs/dbraw/zinc/19/91/72/641199172.db2.gz MHKSZUYTFOSXPB-GHMZBOCLSA-N 1 2 244.335 1.399 20 0 BDADLO Cc1nc(CC[N@H+]2CC[C@@H](O)[C@H](F)C2)cs1 ZINC000934570661 641199176 /nfs/dbraw/zinc/19/91/76/641199176.db2.gz MHKSZUYTFOSXPB-GHMZBOCLSA-N 1 2 244.335 1.399 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934571171 641201572 /nfs/dbraw/zinc/20/15/72/641201572.db2.gz PNYMYMLXYZBQSB-JFGNBEQYSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934571171 641201577 /nfs/dbraw/zinc/20/15/77/641201577.db2.gz PNYMYMLXYZBQSB-JFGNBEQYSA-N 1 2 224.279 1.547 20 0 BDADLO CCOCCC[NH2+]C(C)(C)C(=O)OC(C)C ZINC000934817617 641278475 /nfs/dbraw/zinc/27/84/75/641278475.db2.gz AWQQYQHBLVBDAK-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO O=C(NCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC000934914261 641301080 /nfs/dbraw/zinc/30/10/80/641301080.db2.gz SRSGLCXRYQPYQG-UHFFFAOYSA-N 1 2 221.235 1.652 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001030806121 641360360 /nfs/dbraw/zinc/36/03/60/641360360.db2.gz VXICQPAUKIAFQV-LLVKDONJSA-N 1 2 224.348 1.633 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C=CCC1 ZINC000935488768 641417846 /nfs/dbraw/zinc/41/78/46/641417846.db2.gz PVGJTRKKJYNYQY-FZMZJTMJSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935590561 641433216 /nfs/dbraw/zinc/43/32/16/641433216.db2.gz DDFZUKAMDSQXRU-PSASIEDQSA-N 1 2 245.282 1.158 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000936025212 641519138 /nfs/dbraw/zinc/51/91/38/641519138.db2.gz ZGQIPNPWYOMFSP-NVRFYQKYSA-N 1 2 245.326 1.328 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030980742 641560175 /nfs/dbraw/zinc/56/01/75/641560175.db2.gz UHSVKLSVQNPZTQ-MWLCHTKSSA-N 1 2 228.311 1.193 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001030991381 641569126 /nfs/dbraw/zinc/56/91/26/641569126.db2.gz RBKWYIVIGGIMBQ-GHMZBOCLSA-N 1 2 234.299 1.203 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CC12CCC2 ZINC001031021814 641600708 /nfs/dbraw/zinc/60/07/08/641600708.db2.gz KFGDGABRDBUNKV-LLVKDONJSA-N 1 2 240.322 1.337 20 0 BDADLO Cc1ccc(NC(=O)C2CC2)c(N(C)C)[nH+]1 ZINC000152596986 641620168 /nfs/dbraw/zinc/62/01/68/641620168.db2.gz PHZPLLMOXGRPMJ-UHFFFAOYSA-N 1 2 219.288 1.805 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C=CCC1 ZINC000914287956 641632719 /nfs/dbraw/zinc/63/27/19/641632719.db2.gz UNQOLBHDFIWYBK-SECBINFHSA-N 1 2 205.261 1.035 20 0 BDADLO CC1(C)C[N@H+](C/C=C/Cl)C[C@H](CO)O1 ZINC000158732451 641648162 /nfs/dbraw/zinc/64/81/62/641648162.db2.gz OKGTXQKDBMUPCE-CDAZIORVSA-N 1 2 219.712 1.211 20 0 BDADLO CC1(C)C[N@@H+](C/C=C/Cl)C[C@H](CO)O1 ZINC000158732451 641648165 /nfs/dbraw/zinc/64/81/65/641648165.db2.gz OKGTXQKDBMUPCE-CDAZIORVSA-N 1 2 219.712 1.211 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cc(C)ccn2)no1 ZINC000159344731 641677585 /nfs/dbraw/zinc/67/75/85/641677585.db2.gz WJGXNAIZPMKNIM-MRVPVSSYSA-N 1 2 234.259 1.086 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001031080609 641686255 /nfs/dbraw/zinc/68/62/55/641686255.db2.gz KOLHKENJJPJJRK-UONOGXRCSA-N 1 2 248.370 1.799 20 0 BDADLO C[C@H](c1ncccn1)[N@H+](C)CCOCC1CC1 ZINC000929825739 641703580 /nfs/dbraw/zinc/70/35/80/641703580.db2.gz RNXKRJWGSHCYHS-LLVKDONJSA-N 1 2 235.331 1.896 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+](C)CCOCC1CC1 ZINC000929825739 641703584 /nfs/dbraw/zinc/70/35/84/641703584.db2.gz RNXKRJWGSHCYHS-LLVKDONJSA-N 1 2 235.331 1.896 20 0 BDADLO CCSCCSCC[NH+]1CCOCC1 ZINC000160034232 641711806 /nfs/dbraw/zinc/71/18/06/641711806.db2.gz LWSNJMLUJRPFKD-UHFFFAOYSA-N 1 2 235.418 1.805 20 0 BDADLO CCc1cc(NCCOC)nc(CC)[nH+]1 ZINC000891390441 711509974 /nfs/dbraw/zinc/50/99/74/711509974.db2.gz MWKXBQWHMLJHOZ-UHFFFAOYSA-N 1 2 209.293 1.660 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000929843657 641754541 /nfs/dbraw/zinc/75/45/41/641754541.db2.gz NYMGMSKBLVCODA-JKWVPGAPSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000929843657 641754544 /nfs/dbraw/zinc/75/45/44/641754544.db2.gz NYMGMSKBLVCODA-JKWVPGAPSA-N 1 2 227.304 1.215 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031179586 641778770 /nfs/dbraw/zinc/77/87/70/641778770.db2.gz GUWMHYPTQREGCT-AAEUAGOBSA-N 1 2 242.338 1.583 20 0 BDADLO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1=O ZINC000189491352 641810839 /nfs/dbraw/zinc/81/08/39/641810839.db2.gz OPCHWBBOAALDTN-HBNTYKKESA-N 1 2 243.372 1.956 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001031237066 641835917 /nfs/dbraw/zinc/83/59/17/641835917.db2.gz REXCSFXOOKYOEK-SNVBAGLBSA-N 1 2 224.348 1.633 20 0 BDADLO CCOC(=O)N1CC[NH+](CCC(=O)CC)CC1 ZINC000190166263 641847442 /nfs/dbraw/zinc/84/74/42/641847442.db2.gz NUVDJACGCHHFDJ-UHFFFAOYSA-N 1 2 242.319 1.130 20 0 BDADLO CCN(C(=O)c1ncccc1C)C1C[NH+](CC)C1 ZINC000949861400 641868839 /nfs/dbraw/zinc/86/88/39/641868839.db2.gz GKTKQWQFRUMWDU-UHFFFAOYSA-N 1 2 247.342 1.556 20 0 BDADLO Cc1cc(NC(=O)c2cc[n+]([O-])cc2)cc[nH+]1 ZINC000078269109 641908164 /nfs/dbraw/zinc/90/81/64/641908164.db2.gz RRQVFZXBGDNOIO-UHFFFAOYSA-N 1 2 229.239 1.276 20 0 BDADLO CCC1=C(C(=O)NCCc2[nH]cc[nH+]2)CCCO1 ZINC000191552714 641928275 /nfs/dbraw/zinc/92/82/75/641928275.db2.gz AFTPEXCMNMOUAH-UHFFFAOYSA-N 1 2 249.314 1.543 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001031422815 642119726 /nfs/dbraw/zinc/11/97/26/642119726.db2.gz OYTPIUDPPYEATM-AWEZNQCLSA-N 1 2 236.359 1.943 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc3c2CCC3)C1 ZINC001031467983 642181044 /nfs/dbraw/zinc/18/10/44/642181044.db2.gz OCRNUICRYAEOFW-UHFFFAOYSA-N 1 2 244.338 1.609 20 0 BDADLO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ncco2)CC1=O ZINC000925452073 642197220 /nfs/dbraw/zinc/19/72/20/642197220.db2.gz GKNXYRVNLDDBBJ-VHSXEESVSA-N 1 2 237.303 1.335 20 0 BDADLO CCn1cc[nH+]c1Cn1nc(Cl)nc1C ZINC000918583446 642231137 /nfs/dbraw/zinc/23/11/37/642231137.db2.gz MBLKUFCIVATNCD-UHFFFAOYSA-N 1 2 225.683 1.505 20 0 BDADLO CC(=O)NCC1C[NH+]([C@H](C)c2ncc(C)o2)C1 ZINC001031504655 642237398 /nfs/dbraw/zinc/23/73/98/642237398.db2.gz LTSTWWAZRNOHBV-SECBINFHSA-N 1 2 237.303 1.112 20 0 BDADLO C[N@H+](C[C@@H]1CCCCO1)CN1CCSC1=O ZINC000918732351 642259795 /nfs/dbraw/zinc/25/97/95/642259795.db2.gz ONYGKENPPJBGPG-JTQLQIEISA-N 1 2 244.360 1.614 20 0 BDADLO C[N@@H+](C[C@@H]1CCCCO1)CN1CCSC1=O ZINC000918732351 642259797 /nfs/dbraw/zinc/25/97/97/642259797.db2.gz ONYGKENPPJBGPG-JTQLQIEISA-N 1 2 244.360 1.614 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2c[nH]nc2C)n1 ZINC000925461815 642308218 /nfs/dbraw/zinc/30/82/18/642308218.db2.gz FFOUROIZNJYBJV-VIFPVBQESA-N 1 2 248.334 1.489 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2CC2CC2)cn1 ZINC000933208130 642387623 /nfs/dbraw/zinc/38/76/23/642387623.db2.gz FAFFLZSYVHZTRH-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2CC2CC2)cn1 ZINC000933208130 642387629 /nfs/dbraw/zinc/38/76/29/642387629.db2.gz FAFFLZSYVHZTRH-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CC2CC2)ncn1 ZINC000933213102 642391368 /nfs/dbraw/zinc/39/13/68/642391368.db2.gz LJXJBEJPYBVPCD-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2CC2CC2)ncn1 ZINC000933213102 642391374 /nfs/dbraw/zinc/39/13/74/642391374.db2.gz LJXJBEJPYBVPCD-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(F)cc1 ZINC000069794615 642410702 /nfs/dbraw/zinc/41/07/02/642410702.db2.gz QRTHKHFEGZEJPK-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO O=C(NCC1(O)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000933264982 642434349 /nfs/dbraw/zinc/43/43/49/642434349.db2.gz NODLCSXTUIIZKG-UHFFFAOYSA-N 1 2 245.282 1.208 20 0 BDADLO C[C@H](c1nc([C@H]2CCCOC2)no1)[NH+](C)C ZINC000924026228 642439273 /nfs/dbraw/zinc/43/92/73/642439273.db2.gz CEFHRYOLKDWUNT-BDAKNGLRSA-N 1 2 225.292 1.586 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)CC1(C)C ZINC000921156876 642580570 /nfs/dbraw/zinc/58/05/70/642580570.db2.gz VNOKCYKCRDTUBZ-SECBINFHSA-N 1 2 235.331 1.908 20 0 BDADLO CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC000960352446 642664075 /nfs/dbraw/zinc/66/40/75/642664075.db2.gz YUTOAVBGLGAZAY-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC000960352446 642664072 /nfs/dbraw/zinc/66/40/72/642664072.db2.gz YUTOAVBGLGAZAY-LBPRGKRZSA-N 1 2 237.303 1.117 20 0 BDADLO C[C@H](CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000068080702 642737843 /nfs/dbraw/zinc/73/78/43/642737843.db2.gz ZBNOJEKWNMRLEN-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H]1CC[N@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC000964597429 642757171 /nfs/dbraw/zinc/75/71/71/642757171.db2.gz KLWXBIMVZFTSLI-JGVFFNPUSA-N 1 2 238.253 1.048 20 0 BDADLO C[C@H]1CC[N@@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC000964597429 642757175 /nfs/dbraw/zinc/75/71/75/642757175.db2.gz KLWXBIMVZFTSLI-JGVFFNPUSA-N 1 2 238.253 1.048 20 0 BDADLO COCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181973883 642935154 /nfs/dbraw/zinc/93/51/54/642935154.db2.gz JFYPPYKPLYFHIL-LBPRGKRZSA-N 1 2 237.299 1.479 20 0 BDADLO COCc1nc(C[NH+]2CCCCCCC2)no1 ZINC000182373866 643010497 /nfs/dbraw/zinc/01/04/97/643010497.db2.gz BGRAJPVHCYVBMY-UHFFFAOYSA-N 1 2 239.319 1.982 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CC[C@H](F)C1 ZINC001031929362 643069371 /nfs/dbraw/zinc/06/93/71/643069371.db2.gz HBDCQQCEPJJQOE-QWRGUYRKSA-N 1 2 246.301 1.142 20 0 BDADLO CCC[N@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000063730584 643098575 /nfs/dbraw/zinc/09/85/75/643098575.db2.gz YVLBCLQRRDWWAU-UHFFFAOYSA-N 1 2 233.315 1.639 20 0 BDADLO CCC[N@@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000063730584 643098578 /nfs/dbraw/zinc/09/85/78/643098578.db2.gz YVLBCLQRRDWWAU-UHFFFAOYSA-N 1 2 233.315 1.639 20 0 BDADLO Cc1nn(C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000183288096 643099147 /nfs/dbraw/zinc/09/91/47/643099147.db2.gz SCVYDVHOWPFJBA-UHFFFAOYSA-N 1 2 210.237 1.151 20 0 BDADLO Cc1nn(C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000183288096 643099150 /nfs/dbraw/zinc/09/91/50/643099150.db2.gz SCVYDVHOWPFJBA-UHFFFAOYSA-N 1 2 210.237 1.151 20 0 BDADLO CCOC(C[N@H+](C)Cc1cnccn1)OCC ZINC000185351879 643298686 /nfs/dbraw/zinc/29/86/86/643298686.db2.gz GOMBYNOAFRFVQS-UHFFFAOYSA-N 1 2 239.319 1.308 20 0 BDADLO CCOC(C[N@@H+](C)Cc1cnccn1)OCC ZINC000185351879 643298690 /nfs/dbraw/zinc/29/86/90/643298690.db2.gz GOMBYNOAFRFVQS-UHFFFAOYSA-N 1 2 239.319 1.308 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000082644657 643360172 /nfs/dbraw/zinc/36/01/72/643360172.db2.gz HFXIHOOXQZBPAD-JTQLQIEISA-N 1 2 224.329 1.944 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000082644657 643360176 /nfs/dbraw/zinc/36/01/76/643360176.db2.gz HFXIHOOXQZBPAD-JTQLQIEISA-N 1 2 224.329 1.944 20 0 BDADLO Cc1cc(OCC(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000073069323 643373218 /nfs/dbraw/zinc/37/32/18/643373218.db2.gz KLJUPFYEJMWISN-UHFFFAOYSA-N 1 2 247.254 1.704 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnoc1C ZINC001032237495 643384493 /nfs/dbraw/zinc/38/44/93/643384493.db2.gz JJJPULNOQWBLKR-RYUDHWBXSA-N 1 2 249.314 1.178 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnoc1C ZINC001032237495 643384498 /nfs/dbraw/zinc/38/44/98/643384498.db2.gz JJJPULNOQWBLKR-RYUDHWBXSA-N 1 2 249.314 1.178 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C)nc1C ZINC001032240325 643391053 /nfs/dbraw/zinc/39/10/53/643391053.db2.gz NTBWRNHCULWHES-RYUDHWBXSA-N 1 2 249.314 1.096 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C)nc1C ZINC001032240325 643391059 /nfs/dbraw/zinc/39/10/59/643391059.db2.gz NTBWRNHCULWHES-RYUDHWBXSA-N 1 2 249.314 1.096 20 0 BDADLO NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000073137161 643396312 /nfs/dbraw/zinc/39/63/12/643396312.db2.gz ABPHJXNRMSFFGP-QPJJXVBHSA-N 1 2 245.326 1.396 20 0 BDADLO CC(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032281721 643440798 /nfs/dbraw/zinc/44/07/98/643440798.db2.gz DTNVHNJHNKVNEX-WZQADMAKSA-N 1 2 242.750 1.680 20 0 BDADLO CC(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001032281721 643440802 /nfs/dbraw/zinc/44/08/02/643440802.db2.gz DTNVHNJHNKVNEX-WZQADMAKSA-N 1 2 242.750 1.680 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCCC2=O)[C@H](CC)CO1 ZINC000844725428 643475740 /nfs/dbraw/zinc/47/57/40/643475740.db2.gz ILGNLCHQOBMBAI-VXGBXAGGSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCCC2=O)[C@H](CC)CO1 ZINC000844725428 643475744 /nfs/dbraw/zinc/47/57/44/643475744.db2.gz ILGNLCHQOBMBAI-VXGBXAGGSA-N 1 2 240.347 1.456 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000734674119 643506389 /nfs/dbraw/zinc/50/63/89/643506389.db2.gz YOITZQHXCHMUIM-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000734674119 643506400 /nfs/dbraw/zinc/50/64/00/643506400.db2.gz YOITZQHXCHMUIM-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000734674119 643506410 /nfs/dbraw/zinc/50/64/10/643506410.db2.gz YOITZQHXCHMUIM-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000734674119 643506418 /nfs/dbraw/zinc/50/64/18/643506418.db2.gz YOITZQHXCHMUIM-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H](O)C2)c1Cl ZINC000084275451 643655934 /nfs/dbraw/zinc/65/59/34/643655934.db2.gz MOABDWZSGVACPZ-SECBINFHSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H](O)C2)c1Cl ZINC000084275451 643655940 /nfs/dbraw/zinc/65/59/40/643655940.db2.gz MOABDWZSGVACPZ-SECBINFHSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1ccccc1OCC[N@@H+](C)[C@@H]1CCOC1=O ZINC000073645819 643759430 /nfs/dbraw/zinc/75/94/30/643759430.db2.gz GBLVMHQWNGNWEH-GFCCVEGCSA-N 1 2 249.310 1.621 20 0 BDADLO Cc1ccccc1OCC[N@H+](C)[C@@H]1CCOC1=O ZINC000073645819 643759434 /nfs/dbraw/zinc/75/94/34/643759434.db2.gz GBLVMHQWNGNWEH-GFCCVEGCSA-N 1 2 249.310 1.621 20 0 BDADLO CC(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001002202395 643810560 /nfs/dbraw/zinc/81/05/60/643810560.db2.gz WYCBLUSTUFIYGV-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001002201971 643810674 /nfs/dbraw/zinc/81/06/74/643810674.db2.gz CHQLBYIPJUBEKG-JTQLQIEISA-N 1 2 248.330 1.138 20 0 BDADLO Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)[nH+]1 ZINC000921887612 643817374 /nfs/dbraw/zinc/81/73/74/643817374.db2.gz OIQLMXIUUKEBGY-FZMZJTMJSA-N 1 2 246.310 1.214 20 0 BDADLO O=c1cc(C[NH2+]C(CF)CF)cc[nH]1 ZINC000922153947 643875468 /nfs/dbraw/zinc/87/54/68/643875468.db2.gz GBGTZVPEWLVWDD-UHFFFAOYSA-N 1 2 202.204 1.184 20 0 BDADLO C[C@@H](C(=O)OCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000085987266 643877974 /nfs/dbraw/zinc/87/79/74/643877974.db2.gz RLDRGFSDOQRXCD-SECBINFHSA-N 1 2 248.286 1.001 20 0 BDADLO Nc1ccc(COC(=O)C2CCCC2)c[nH+]1 ZINC000922173817 643890899 /nfs/dbraw/zinc/89/08/99/643890899.db2.gz AJQBXJBPXYSXGB-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO CC(C)c1c[nH]c(C[NH2+]CC2OCCCO2)n1 ZINC000922280689 643947832 /nfs/dbraw/zinc/94/78/32/643947832.db2.gz MYMLEPNMJYTTFQ-UHFFFAOYSA-N 1 2 239.319 1.386 20 0 BDADLO Nc1ccc(COC(=O)C[C@H]2CCCO2)c[nH+]1 ZINC000922345121 643978265 /nfs/dbraw/zinc/97/82/65/643978265.db2.gz GHWSCZGHEVCIJS-SNVBAGLBSA-N 1 2 236.271 1.276 20 0 BDADLO CCc1ocnc1C(=O)OCc1ccc[nH+]c1N ZINC000922470817 643998454 /nfs/dbraw/zinc/99/84/54/643998454.db2.gz SQWUMMHPBCXTCH-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCCS1 ZINC000922501875 644006406 /nfs/dbraw/zinc/00/64/06/644006406.db2.gz MMIFHLUQIHBLNP-SECBINFHSA-N 1 2 238.312 1.603 20 0 BDADLO CC[C@@H](C)[C@@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922509230 644008117 /nfs/dbraw/zinc/00/81/17/644008117.db2.gz CKMRYPIZYKWWDU-LDYMZIIASA-N 1 2 238.287 1.114 20 0 BDADLO CCC1(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922510680 644009438 /nfs/dbraw/zinc/00/94/38/644009438.db2.gz OVVASGUAIQICJY-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO C/C=C(/C)C(=O)OCc1ccc[nH+]c1N ZINC000922512691 644009824 /nfs/dbraw/zinc/00/98/24/644009824.db2.gz RZUGIZZUXOLPDE-BAQGIRSFSA-N 1 2 206.245 1.673 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CC12CCC2 ZINC000922528444 644017350 /nfs/dbraw/zinc/01/73/50/644017350.db2.gz ZMPHBCZBHQUINW-SNVBAGLBSA-N 1 2 232.283 1.897 20 0 BDADLO CC(C)(F)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922577291 644030275 /nfs/dbraw/zinc/03/02/75/644030275.db2.gz QGFJIQXUXKWWEX-UHFFFAOYSA-N 1 2 212.224 1.455 20 0 BDADLO COC1(C(=O)OCc2ccc(N)[nH+]c2)CCC1 ZINC000922600488 644039031 /nfs/dbraw/zinc/03/90/31/644039031.db2.gz VFEOPXJZWJXQBP-UHFFFAOYSA-N 1 2 236.271 1.276 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCc2ccc[nH+]c2N)CO1 ZINC000922631947 644044678 /nfs/dbraw/zinc/04/46/78/644044678.db2.gz XTUHCZVHAONEEX-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Cn1ncc(C[NH2+]C(C)(C)/C=C/Cl)n1 ZINC000922647871 644053238 /nfs/dbraw/zinc/05/32/38/644053238.db2.gz DANWVHFSDCRRKA-SNAWJCMRSA-N 1 2 214.700 1.436 20 0 BDADLO CO[C@@H](C(=O)OCc1ccc(N)[nH+]c1)C1CC1 ZINC000922684591 644066657 /nfs/dbraw/zinc/06/66/57/644066657.db2.gz PXAXNONCIXSKPF-LLVKDONJSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1cn(C)nc1C(=O)OCc1ccc[nH+]c1N ZINC000922802857 644097981 /nfs/dbraw/zinc/09/79/81/644097981.db2.gz QRAIIVOXAAHMEV-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CC23CC3)c[nH+]1 ZINC000922813042 644100236 /nfs/dbraw/zinc/10/02/36/644100236.db2.gz UCWFFTPBAACJOZ-VIFPVBQESA-N 1 2 218.256 1.507 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1(F)CC1 ZINC000922840588 644116932 /nfs/dbraw/zinc/11/69/32/644116932.db2.gz ZYCIATXMNNJHHS-UHFFFAOYSA-N 1 2 210.208 1.209 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](CC(OC)OC)C1CCC1 ZINC000192382429 644148657 /nfs/dbraw/zinc/14/86/57/644148657.db2.gz QJCHDZDGGWKZKX-SECBINFHSA-N 1 2 245.319 1.021 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](CC(OC)OC)C1CCC1 ZINC000192382429 644148659 /nfs/dbraw/zinc/14/86/59/644148659.db2.gz QJCHDZDGGWKZKX-SECBINFHSA-N 1 2 245.319 1.021 20 0 BDADLO CCCCCCC(=O)NCCn1cc[nH+]c1 ZINC000192572155 644165949 /nfs/dbraw/zinc/16/59/49/644165949.db2.gz NTOFEAYPFBTVCW-UHFFFAOYSA-N 1 2 223.320 1.970 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cncc(O)c1 ZINC000922976115 644206408 /nfs/dbraw/zinc/20/64/08/644206408.db2.gz QZXYEKWTNLRSMO-UHFFFAOYSA-N 1 2 233.271 1.627 20 0 BDADLO COCCC[N@H+](C)Cc1nncs1 ZINC000929351038 644246713 /nfs/dbraw/zinc/24/67/13/644246713.db2.gz DTWUYQRDBPKFSI-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO COCCC[N@@H+](C)Cc1nncs1 ZINC000929351038 644246715 /nfs/dbraw/zinc/24/67/15/644246715.db2.gz DTWUYQRDBPKFSI-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCC=CO1 ZINC000194001312 644292106 /nfs/dbraw/zinc/29/21/06/644292106.db2.gz NJURCRZPJONEJL-LLVKDONJSA-N 1 2 247.360 1.046 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCC=CO1 ZINC000194001312 644292110 /nfs/dbraw/zinc/29/21/10/644292110.db2.gz NJURCRZPJONEJL-LLVKDONJSA-N 1 2 247.360 1.046 20 0 BDADLO C[C@@H](CNC(=O)C1=CCCCO1)Cn1cc[nH+]c1 ZINC000081797353 644345883 /nfs/dbraw/zinc/34/58/83/644345883.db2.gz NQEQOUKZEPIESY-NSHDSACASA-N 1 2 249.314 1.330 20 0 BDADLO CNc1cc(NC[C@H]2CCCCO2)[nH+]cn1 ZINC000087824657 644504234 /nfs/dbraw/zinc/50/42/34/644504234.db2.gz MZLNKFWVDPDGEQ-SECBINFHSA-N 1 2 222.292 1.499 20 0 BDADLO COCC[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000088509940 644521224 /nfs/dbraw/zinc/52/12/24/644521224.db2.gz VRNFSUXYNSWSKG-SECBINFHSA-N 1 2 240.278 1.888 20 0 BDADLO NC(CCO)=[NH+]OCc1cc(F)ccc1Cl ZINC000187228765 644534247 /nfs/dbraw/zinc/53/42/47/644534247.db2.gz PAEDQLAEJZBTKA-UHFFFAOYSA-N 1 2 246.669 1.650 20 0 BDADLO CC1(CO[NH+]=C(N)c2ccccc2)COC1 ZINC000742348821 644565182 /nfs/dbraw/zinc/56/51/82/644565182.db2.gz MXHOTZDEUCLZBU-UHFFFAOYSA-N 1 2 220.272 1.570 20 0 BDADLO CO[C@@H](C[NH2+]CC(F)(F)CO)C1CCCC1 ZINC000639053408 644589294 /nfs/dbraw/zinc/58/92/94/644589294.db2.gz NVXXMBRIKASESX-JTQLQIEISA-N 1 2 237.290 1.409 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246945887 644612916 /nfs/dbraw/zinc/61/29/16/644612916.db2.gz QWYAXEBGPSBNHJ-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246945887 644612924 /nfs/dbraw/zinc/61/29/24/644612924.db2.gz QWYAXEBGPSBNHJ-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000771873477 644690507 /nfs/dbraw/zinc/69/05/07/644690507.db2.gz MQQKEZGXGGXOJT-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC=CO1 ZINC000249058682 644710923 /nfs/dbraw/zinc/71/09/23/644710923.db2.gz PGCXIOQHELHKKZ-WDEREUQCSA-N 1 2 247.360 1.044 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000249058682 644710927 /nfs/dbraw/zinc/71/09/27/644710927.db2.gz PGCXIOQHELHKKZ-WDEREUQCSA-N 1 2 247.360 1.044 20 0 BDADLO COC(C)(C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792257909 644796072 /nfs/dbraw/zinc/79/60/72/644796072.db2.gz ZQBSAJVTIUGKBO-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO C[C@H](C(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000793238321 644801692 /nfs/dbraw/zinc/80/16/92/644801692.db2.gz MSANVHJDEIHFAI-VIFPVBQESA-N 1 2 222.288 1.552 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000793239826 644801768 /nfs/dbraw/zinc/80/17/68/644801768.db2.gz VFIMKHUJNCXULX-WDEREUQCSA-N 1 2 236.315 1.942 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)OCCc2c[nH+]cn2C)C1 ZINC000793239820 644802132 /nfs/dbraw/zinc/80/21/32/644802132.db2.gz VFIMKHUJNCXULX-GHMZBOCLSA-N 1 2 236.315 1.942 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cn2ccsc2=O)C1 ZINC000794657317 644804860 /nfs/dbraw/zinc/80/48/60/644804860.db2.gz NWPSDSHZZGIGJB-NSHDSACASA-N 1 2 242.344 1.368 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000794657317 644804866 /nfs/dbraw/zinc/80/48/66/644804866.db2.gz NWPSDSHZZGIGJB-NSHDSACASA-N 1 2 242.344 1.368 20 0 BDADLO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCOCC1 ZINC000304533684 644916301 /nfs/dbraw/zinc/91/63/01/644916301.db2.gz OHNQNOMBQTYEMJ-CYBMUJFWSA-N 1 2 239.290 1.500 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)CC1(CO)CC1 ZINC000824237178 645054899 /nfs/dbraw/zinc/05/48/99/645054899.db2.gz PNPUUEKIUCHFGF-UHFFFAOYSA-N 1 2 242.269 1.564 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)CC1(CO)CC1 ZINC000824237178 645054908 /nfs/dbraw/zinc/05/49/08/645054908.db2.gz PNPUUEKIUCHFGF-UHFFFAOYSA-N 1 2 242.269 1.564 20 0 BDADLO Cc1cccc(C[N@H+](C)CC[S@@](C)=O)n1 ZINC000828071256 645093548 /nfs/dbraw/zinc/09/35/48/645093548.db2.gz OBFRGBKKXBNILT-OAHLLOKOSA-N 1 2 226.345 1.200 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC[S@@](C)=O)n1 ZINC000828071256 645093550 /nfs/dbraw/zinc/09/35/50/645093550.db2.gz OBFRGBKKXBNILT-OAHLLOKOSA-N 1 2 226.345 1.200 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC(C)(C)C1 ZINC000834853146 645150258 /nfs/dbraw/zinc/15/02/58/645150258.db2.gz YALKQOXFVMMFND-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CCn1ccc(C[NH2+][C@@H]2CCC2(OC)OC)n1 ZINC000926578492 645297734 /nfs/dbraw/zinc/29/77/34/645297734.db2.gz PLKNEFYJGJKOLY-LLVKDONJSA-N 1 2 239.319 1.144 20 0 BDADLO C[C@H](CC(=O)Oc1cnn(C)c1)n1cc[nH+]c1 ZINC000844443050 645332338 /nfs/dbraw/zinc/33/23/38/645332338.db2.gz HXWRXARMYVSEON-SECBINFHSA-N 1 2 234.259 1.173 20 0 BDADLO CC[C@H](C)C[N@H+](CC)Cn1nc(C)n(C)c1=O ZINC000844693658 645344520 /nfs/dbraw/zinc/34/45/20/645344520.db2.gz GLFIJTGDIWMXPG-JTQLQIEISA-N 1 2 240.351 1.216 20 0 BDADLO CC[C@H](C)C[N@@H+](CC)Cn1nc(C)n(C)c1=O ZINC000844693658 645344526 /nfs/dbraw/zinc/34/45/26/645344526.db2.gz GLFIJTGDIWMXPG-JTQLQIEISA-N 1 2 240.351 1.216 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)Cc2ccccc21 ZINC000857197782 645538858 /nfs/dbraw/zinc/53/88/58/645538858.db2.gz DCMUPOAZYYNUIG-MFKMUULPSA-N 1 2 231.295 1.921 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)Cc2ccccc21 ZINC000857197782 645538864 /nfs/dbraw/zinc/53/88/64/645538864.db2.gz DCMUPOAZYYNUIG-MFKMUULPSA-N 1 2 231.295 1.921 20 0 BDADLO Cc1ncsc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857469775 645568897 /nfs/dbraw/zinc/56/88/97/645568897.db2.gz WTSRXTXOIQXFJY-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO COc1cnc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000857501607 645578416 /nfs/dbraw/zinc/57/84/16/645578416.db2.gz JBAOAMIRDNTBRL-UHFFFAOYSA-N 1 2 238.272 1.056 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc2c1CCO2 ZINC000857500512 645580384 /nfs/dbraw/zinc/58/03/84/645580384.db2.gz SPNAZMDWXXQENV-UHFFFAOYSA-N 1 2 243.266 1.526 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)cnc1F ZINC000857571289 645617342 /nfs/dbraw/zinc/61/73/42/645617342.db2.gz WXBWROPTKHTSHT-UHFFFAOYSA-N 1 2 248.261 1.156 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927483461 645623512 /nfs/dbraw/zinc/62/35/12/645623512.db2.gz WXTRFPXFSYOZOO-QJPTWQEYSA-N 1 2 247.342 1.813 20 0 BDADLO C[C@H](CC(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000927779318 645657353 /nfs/dbraw/zinc/65/73/53/645657353.db2.gz ZVTLAXZTFABYMV-SECBINFHSA-N 1 2 233.315 1.716 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859327137 645682407 /nfs/dbraw/zinc/68/24/07/645682407.db2.gz ZQBUJHHEWDZNTP-VXNVDRBHSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859327137 645682413 /nfs/dbraw/zinc/68/24/13/645682413.db2.gz ZQBUJHHEWDZNTP-VXNVDRBHSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H]1C[C@H](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000928186714 645708180 /nfs/dbraw/zinc/70/81/80/645708180.db2.gz QDEXLPTUJHPWPT-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491534 645815480 /nfs/dbraw/zinc/81/54/80/645815480.db2.gz NHJJOVQPKVTPJK-GIPNMCIBSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000878491534 645815486 /nfs/dbraw/zinc/81/54/86/645815486.db2.gz NHJJOVQPKVTPJK-GIPNMCIBSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491887 645817245 /nfs/dbraw/zinc/81/72/45/645817245.db2.gz VHKIVVJNNGSLSU-SNVBAGLBSA-N 1 2 248.330 1.265 20 0 BDADLO C([C@H]1CCC2(CCC2)O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000878491887 645817249 /nfs/dbraw/zinc/81/72/49/645817249.db2.gz VHKIVVJNNGSLSU-SNVBAGLBSA-N 1 2 248.330 1.265 20 0 BDADLO COC(C)(C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000928603526 645845335 /nfs/dbraw/zinc/84/53/35/645845335.db2.gz SAXCFKOUYNTIIU-VIFPVBQESA-N 1 2 239.319 1.190 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(C)CC1 ZINC000928642297 645852974 /nfs/dbraw/zinc/85/29/74/645852974.db2.gz NVYCITGSUSHLIJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](c1ncccn1)N1CCc2[nH+]c[nH]c2C1 ZINC000929069985 645933540 /nfs/dbraw/zinc/93/35/40/645933540.db2.gz PIGHOUXPGJHUHX-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000929098568 645941080 /nfs/dbraw/zinc/94/10/80/645941080.db2.gz WERGYXBRRJGFPF-YTRUQHMWSA-N 1 2 241.331 1.607 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000929098568 645941089 /nfs/dbraw/zinc/94/10/89/645941089.db2.gz WERGYXBRRJGFPF-YTRUQHMWSA-N 1 2 241.331 1.607 20 0 BDADLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)CO ZINC000929137724 645966814 /nfs/dbraw/zinc/96/68/14/645966814.db2.gz AIAPTSAIIHRSNK-MRVPVSSYSA-N 1 2 247.697 1.264 20 0 BDADLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)CO ZINC000929137724 645966816 /nfs/dbraw/zinc/96/68/16/645966816.db2.gz AIAPTSAIIHRSNK-MRVPVSSYSA-N 1 2 247.697 1.264 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2CSC2)n1 ZINC000923960532 645968050 /nfs/dbraw/zinc/96/80/50/645968050.db2.gz CFCONFXEFVSIGN-UHFFFAOYSA-N 1 2 236.300 1.224 20 0 BDADLO CN(C)c1noc([C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000923969559 645968445 /nfs/dbraw/zinc/96/84/45/645968445.db2.gz HRHDBVIOEZVQHA-SNVBAGLBSA-N 1 2 236.319 1.825 20 0 BDADLO CN(C)c1noc([C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000923969559 645968450 /nfs/dbraw/zinc/96/84/50/645968450.db2.gz HRHDBVIOEZVQHA-SNVBAGLBSA-N 1 2 236.319 1.825 20 0 BDADLO O=Cc1cc(C(=O)NCCCn2cc[nH+]c2)co1 ZINC000929157469 645980679 /nfs/dbraw/zinc/98/06/79/645980679.db2.gz VNYFOGULGKXAPS-UHFFFAOYSA-N 1 2 247.254 1.109 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000929218090 646018354 /nfs/dbraw/zinc/01/83/54/646018354.db2.gz OIHYVBUWUGKMCQ-SECBINFHSA-N 1 2 242.269 1.564 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000929218090 646018357 /nfs/dbraw/zinc/01/83/57/646018357.db2.gz OIHYVBUWUGKMCQ-SECBINFHSA-N 1 2 242.269 1.564 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cnc(CC)o1 ZINC000929281148 646060643 /nfs/dbraw/zinc/06/06/43/646060643.db2.gz GRMFJKCCUTYMCS-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cnc(CC)o1 ZINC000929281148 646060649 /nfs/dbraw/zinc/06/06/49/646060649.db2.gz GRMFJKCCUTYMCS-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO CON1CC[C@H]([N@H+](C)Cc2ccoc2C)C1=O ZINC000929336112 646085357 /nfs/dbraw/zinc/08/53/57/646085357.db2.gz QAYMQSKAWKSFGV-NSHDSACASA-N 1 2 238.287 1.182 20 0 BDADLO CON1CC[C@H]([N@@H+](C)Cc2ccoc2C)C1=O ZINC000929336112 646085362 /nfs/dbraw/zinc/08/53/62/646085362.db2.gz QAYMQSKAWKSFGV-NSHDSACASA-N 1 2 238.287 1.182 20 0 BDADLO c1nnc(C[NH+]2CCC(c3cn[nH]c3)CC2)s1 ZINC000929449072 646122334 /nfs/dbraw/zinc/12/23/34/646122334.db2.gz LMIBHPRPEJKDEK-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO CC[N@H+](C/C=C(\C)COC)CC(=O)OC ZINC000929505981 646157041 /nfs/dbraw/zinc/15/70/41/646157041.db2.gz XIUMZMXOZNROMO-UXBLZVDNSA-N 1 2 215.293 1.074 20 0 BDADLO CC[N@@H+](C/C=C(\C)COC)CC(=O)OC ZINC000929505981 646157043 /nfs/dbraw/zinc/15/70/43/646157043.db2.gz XIUMZMXOZNROMO-UXBLZVDNSA-N 1 2 215.293 1.074 20 0 BDADLO CC[S@](=O)CC[NH2+][C@H](C)c1ncco1 ZINC000925043532 646165280 /nfs/dbraw/zinc/16/52/80/646165280.db2.gz IUMILDBZFDZHBZ-CLAHSXSESA-N 1 2 216.306 1.094 20 0 BDADLO Cc1cn(C)nc1C[N@H+](C)CCn1cccn1 ZINC000929620525 646204496 /nfs/dbraw/zinc/20/44/96/646204496.db2.gz CFMYYLPPSKZPQG-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO Cc1cn(C)nc1C[N@@H+](C)CCn1cccn1 ZINC000929620525 646204502 /nfs/dbraw/zinc/20/45/02/646204502.db2.gz CFMYYLPPSKZPQG-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO Cc1[nH]c(CN(C)CCn2cccn2)c(C)[nH+]1 ZINC000929621912 646206376 /nfs/dbraw/zinc/20/63/76/646206376.db2.gz RYENNWFCYMFXFF-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO CC[C@H](CO)[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000929760414 646293408 /nfs/dbraw/zinc/29/34/08/646293408.db2.gz BOICJNASJJISNB-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](CO)[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000929760414 646293411 /nfs/dbraw/zinc/29/34/11/646293411.db2.gz BOICJNASJJISNB-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1cn(C)cn1 ZINC000925592461 646348694 /nfs/dbraw/zinc/34/86/94/646348694.db2.gz IAZHUTSYGCSVGX-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CSC[C@@H]1CCC[N@@H+]1Cc1nncs1 ZINC000929853216 646360901 /nfs/dbraw/zinc/36/09/01/646360901.db2.gz GCCGVWXFUFMHIH-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO CSC[C@@H]1CCC[N@H+]1Cc1nncs1 ZINC000929853216 646360905 /nfs/dbraw/zinc/36/09/05/646360905.db2.gz GCCGVWXFUFMHIH-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO COC(=O)[C@@H]1CCCC[C@H]1Cn1cc[nH+]c1 ZINC000929865498 646363825 /nfs/dbraw/zinc/36/38/25/646363825.db2.gz FCTNAIBCYQCDEE-WDEREUQCSA-N 1 2 222.288 1.863 20 0 BDADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)on1 ZINC000925636612 646380421 /nfs/dbraw/zinc/38/04/21/646380421.db2.gz YVEIUXIFQPMBJF-HTQZYQBOSA-N 1 2 236.275 1.818 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000925635907 646381077 /nfs/dbraw/zinc/38/10/77/646381077.db2.gz UYHDHXMLBXJKKH-IUCAKERBSA-N 1 2 248.334 1.741 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H](O)C1 ZINC000930034713 646406150 /nfs/dbraw/zinc/40/61/50/646406150.db2.gz DUGJLGNAINLUNT-JTQLQIEISA-N 1 2 245.282 1.160 20 0 BDADLO CCCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930042310 646409183 /nfs/dbraw/zinc/40/91/83/646409183.db2.gz HLPUPWUTWXALMH-UHFFFAOYSA-N 1 2 247.298 1.407 20 0 BDADLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC000930121667 646444701 /nfs/dbraw/zinc/44/47/01/646444701.db2.gz GRIFWYOSSUWGSN-UHFFFAOYSA-N 1 2 215.256 1.797 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCOC2(CCC2)C1 ZINC000930141793 646457869 /nfs/dbraw/zinc/45/78/69/646457869.db2.gz FMBLUNMELJANMH-FLIBITNWSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCOC2(CCC2)C1 ZINC000930141793 646457873 /nfs/dbraw/zinc/45/78/73/646457873.db2.gz FMBLUNMELJANMH-FLIBITNWSA-N 1 2 239.315 1.361 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC000930160943 646465446 /nfs/dbraw/zinc/46/54/46/646465446.db2.gz CJAKHOYCRRORHN-HQJQHLMTSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC000930160943 646465450 /nfs/dbraw/zinc/46/54/50/646465450.db2.gz CJAKHOYCRRORHN-HQJQHLMTSA-N 1 2 228.242 1.172 20 0 BDADLO CC(C)c1nsc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000930162596 646466275 /nfs/dbraw/zinc/46/62/75/646466275.db2.gz PJRYPXZHBHAUMP-BDAKNGLRSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000930162596 646466271 /nfs/dbraw/zinc/46/62/71/646466271.db2.gz PJRYPXZHBHAUMP-BDAKNGLRSA-N 1 2 241.360 1.474 20 0 BDADLO FC1=CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000930175692 646477920 /nfs/dbraw/zinc/47/79/20/646477920.db2.gz VBLMBVJALKBNJD-NSHDSACASA-N 1 2 215.268 1.351 20 0 BDADLO FC1=CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000930175692 646477923 /nfs/dbraw/zinc/47/79/23/646477923.db2.gz VBLMBVJALKBNJD-NSHDSACASA-N 1 2 215.268 1.351 20 0 BDADLO CCOCC[N@H+](C)Cc1noc2c1COCC2 ZINC000930176069 646477990 /nfs/dbraw/zinc/47/79/90/646477990.db2.gz QFZAHUATBORHAO-UHFFFAOYSA-N 1 2 240.303 1.216 20 0 BDADLO CCOCC[N@@H+](C)Cc1noc2c1COCC2 ZINC000930176069 646477993 /nfs/dbraw/zinc/47/79/93/646477993.db2.gz QFZAHUATBORHAO-UHFFFAOYSA-N 1 2 240.303 1.216 20 0 BDADLO CCS(=O)(CC)=NC(=O)CCc1[nH]cc[nH+]1 ZINC000925878364 646526854 /nfs/dbraw/zinc/52/68/54/646526854.db2.gz FTYDOQKECVHCOJ-UHFFFAOYSA-N 1 2 243.332 1.377 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N=S1(=O)CCCC1 ZINC000925908652 646538491 /nfs/dbraw/zinc/53/84/91/646538491.db2.gz RTMBCGXPXHSCJW-UHFFFAOYSA-N 1 2 241.316 1.049 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+]CCF)n1 ZINC000926348481 646621577 /nfs/dbraw/zinc/62/15/77/646621577.db2.gz MBNDPFONQRRHLU-ZETCQYMHSA-N 1 2 200.261 1.227 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@@H](CO)CC(F)F ZINC000926286072 646611244 /nfs/dbraw/zinc/61/12/44/646611244.db2.gz XUUGROHPCCSWQI-CAHLUQPWSA-N 1 2 235.234 1.045 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)c1ncco1)[C@H]1CCCO1 ZINC000926319995 646616327 /nfs/dbraw/zinc/61/63/27/646616327.db2.gz JNJPDSIGVOJVPD-GARJFASQSA-N 1 2 240.303 1.519 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cncn2C)on1 ZINC000926442528 646640150 /nfs/dbraw/zinc/64/01/50/646640150.db2.gz JDCBMPQNHZDMKQ-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO CCCN(CC)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724727285 711609718 /nfs/dbraw/zinc/60/97/18/711609718.db2.gz LWIRBNVXAQQMAZ-SSDOTTSWSA-N 1 2 208.252 1.227 20 0 BDADLO [NH3+][C@H](CC(=O)NCc1cccs1)C(F)F ZINC000724750125 711610765 /nfs/dbraw/zinc/61/07/65/711610765.db2.gz CEYFTALGMIKUKQ-SSDOTTSWSA-N 1 2 234.271 1.347 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724749901 711610836 /nfs/dbraw/zinc/61/08/36/711610836.db2.gz BFNMYFUUKSABCI-YIZRAAEISA-N 1 2 234.290 1.473 20 0 BDADLO CCCCCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724727988 711610069 /nfs/dbraw/zinc/61/00/69/711610069.db2.gz STFSDBMVINYLBT-QMMMGPOBSA-N 1 2 222.279 1.665 20 0 BDADLO Cc1nc(NCC[C@H]2CCSC2)nc(N)[nH+]1 ZINC000704923603 712120043 /nfs/dbraw/zinc/12/00/43/712120043.db2.gz DWDKDXGARUGHJQ-QMMMGPOBSA-N 1 2 239.348 1.317 20 0 BDADLO Cc1nc(N)nc(NCC[C@H]2CCSC2)[nH+]1 ZINC000704923603 712120045 /nfs/dbraw/zinc/12/00/45/712120045.db2.gz DWDKDXGARUGHJQ-QMMMGPOBSA-N 1 2 239.348 1.317 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584950 712389328 /nfs/dbraw/zinc/38/93/28/712389328.db2.gz WVGOJBBXBJBVLN-RKDXNWHRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584950 712389329 /nfs/dbraw/zinc/38/93/29/712389329.db2.gz WVGOJBBXBJBVLN-RKDXNWHRSA-N 1 2 239.319 1.322 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000379655819 712391570 /nfs/dbraw/zinc/39/15/70/712391570.db2.gz NFGTUVRMUGKRTF-QHDQMSKJSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000379655819 712391571 /nfs/dbraw/zinc/39/15/71/712391571.db2.gz NFGTUVRMUGKRTF-QHDQMSKJSA-N 1 2 241.331 1.605 20 0 BDADLO Cc1ncsc1C[NH2+]Cc1nonc1C ZINC000379914125 712624990 /nfs/dbraw/zinc/62/49/90/712624990.db2.gz AROGOHFWVOAEHO-UHFFFAOYSA-N 1 2 224.289 1.433 20 0 BDADLO CNc1cc(N[C@@H](CO)C2CCC2)nc[nH+]1 ZINC000717656882 712663665 /nfs/dbraw/zinc/66/36/65/712663665.db2.gz AHLLHOQUKMLICX-VIFPVBQESA-N 1 2 222.292 1.091 20 0 BDADLO CNc1cc(N[C@@H](CO)C2CCC2)[nH+]cn1 ZINC000717656882 712663666 /nfs/dbraw/zinc/66/36/66/712663666.db2.gz AHLLHOQUKMLICX-VIFPVBQESA-N 1 2 222.292 1.091 20 0 BDADLO Cc1nn(C)c(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1Cl ZINC000384928002 712705389 /nfs/dbraw/zinc/70/53/89/712705389.db2.gz GZHYKGIRJZQRQQ-CBAPKCEASA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1Cl ZINC000384928002 712705391 /nfs/dbraw/zinc/70/53/91/712705391.db2.gz GZHYKGIRJZQRQQ-CBAPKCEASA-N 1 2 243.738 1.337 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000720432118 712842070 /nfs/dbraw/zinc/84/20/70/712842070.db2.gz NUEXJKLWMGUGLH-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000720432118 712842073 /nfs/dbraw/zinc/84/20/73/712842073.db2.gz NUEXJKLWMGUGLH-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CSC[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381572336 710655643 /nfs/dbraw/zinc/65/56/43/710655643.db2.gz WMIANRKXEPEXCK-QMMMGPOBSA-N 1 2 240.328 1.536 20 0 BDADLO CC(C)(CNc1cccc[nH+]1)CS(C)(=O)=O ZINC000723883111 710732874 /nfs/dbraw/zinc/73/28/74/710732874.db2.gz LDDSMPMZSABIPG-UHFFFAOYSA-N 1 2 242.344 1.564 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccc(C)s2)C1 ZINC001042420364 710782367 /nfs/dbraw/zinc/78/23/67/710782367.db2.gz HGMRHKHFXJETCG-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO CC(C)[NH+]1CC(N(C)C(=O)c2cccs2)C1 ZINC001042430819 710783025 /nfs/dbraw/zinc/78/30/25/710783025.db2.gz YEXBFMLWHCRMSP-UHFFFAOYSA-N 1 2 238.356 1.913 20 0 BDADLO C[C@]1(NC(=O)C2CC2)CC[N@H+](Cc2ccon2)C1 ZINC001046092905 710848987 /nfs/dbraw/zinc/84/89/87/710848987.db2.gz SAJPLVHTHKLEHX-ZDUSSCGKSA-N 1 2 249.314 1.165 20 0 BDADLO C[C@]1(NC(=O)C2CC2)CC[N@@H+](Cc2ccon2)C1 ZINC001046092905 710848991 /nfs/dbraw/zinc/84/89/91/710848991.db2.gz SAJPLVHTHKLEHX-ZDUSSCGKSA-N 1 2 249.314 1.165 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000386073583 711021719 /nfs/dbraw/zinc/02/17/19/711021719.db2.gz JRSPUYSCXSUWRY-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)C1CC1 ZINC000386073583 711021723 /nfs/dbraw/zinc/02/17/23/711021723.db2.gz JRSPUYSCXSUWRY-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]([NH2+]CCC(C)(C)CO)C(=O)OC(C)(C)C ZINC000386351249 711027491 /nfs/dbraw/zinc/02/74/91/711027491.db2.gz YICXPCAQSMZOPZ-SNVBAGLBSA-N 1 2 245.363 1.715 20 0 BDADLO CCCNc1cc(N2C[C@@H](C)[C@H](O)C2)nc[nH+]1 ZINC000388257320 711056246 /nfs/dbraw/zinc/05/62/46/711056246.db2.gz LNSVNUFEWOMYLS-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO CCCNc1cc(N2C[C@@H](C)[C@H](O)C2)[nH+]cn1 ZINC000388257320 711056250 /nfs/dbraw/zinc/05/62/50/711056250.db2.gz LNSVNUFEWOMYLS-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO CCCNc1cc(N[C@@H](CC)[C@H](C)O)nc[nH+]1 ZINC000386838595 711037259 /nfs/dbraw/zinc/03/72/59/711037259.db2.gz XEJOVFSCWSOFGF-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@@H](CC)[C@H](C)O)[nH+]cn1 ZINC000386838595 711037262 /nfs/dbraw/zinc/03/72/62/711037262.db2.gz XEJOVFSCWSOFGF-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO CC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)[C@@H](C)O ZINC000386898393 711038029 /nfs/dbraw/zinc/03/80/29/711038029.db2.gz LKGIGOMMMWNIAN-BBBLOLIVSA-N 1 2 231.336 1.466 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)o2)C[C@H]1O ZINC000387958512 711050128 /nfs/dbraw/zinc/05/01/28/711050128.db2.gz YEGVQDSWMICLGF-RKDXNWHRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)o2)C[C@H]1O ZINC000387958512 711050133 /nfs/dbraw/zinc/05/01/33/711050133.db2.gz YEGVQDSWMICLGF-RKDXNWHRSA-N 1 2 239.319 1.180 20 0 BDADLO CSc1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000389841223 711093063 /nfs/dbraw/zinc/09/30/63/711093063.db2.gz VUAGLHYXCFLCDK-UHFFFAOYSA-N 1 2 248.355 1.827 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000390473981 711119441 /nfs/dbraw/zinc/11/94/41/711119441.db2.gz IHFKQKUAWRZUNT-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO C[C@]1([NH2+]CC[C@H]2CCCCO2)CCOC1=O ZINC000390626645 711129304 /nfs/dbraw/zinc/12/93/04/711129304.db2.gz JYMWCZFSSBVMJL-PWSUYJOCSA-N 1 2 227.304 1.241 20 0 BDADLO CCC[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)OCC ZINC000390752500 711132070 /nfs/dbraw/zinc/13/20/70/711132070.db2.gz DRVXJNGKMWQXEU-GHMZBOCLSA-N 1 2 229.320 1.079 20 0 BDADLO CCc1nnc(CN[C@H]2CCC[N@H+](C)C2)s1 ZINC000391813059 711139996 /nfs/dbraw/zinc/13/99/96/711139996.db2.gz OSZUINHQTXIHMZ-VIFPVBQESA-N 1 2 240.376 1.284 20 0 BDADLO CCc1nnc(CN[C@H]2CCC[N@@H+](C)C2)s1 ZINC000391813059 711139997 /nfs/dbraw/zinc/13/99/97/711139997.db2.gz OSZUINHQTXIHMZ-VIFPVBQESA-N 1 2 240.376 1.284 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000399926283 711436697 /nfs/dbraw/zinc/43/66/97/711436697.db2.gz NOTYLJKZQBTSNI-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000399926283 711436699 /nfs/dbraw/zinc/43/66/99/711436699.db2.gz NOTYLJKZQBTSNI-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccon2)C1 ZINC001071284412 710841615 /nfs/dbraw/zinc/84/16/15/710841615.db2.gz CBVCMXHHVOPNJS-GXSJLCMTSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccon2)C1 ZINC001071284412 710841617 /nfs/dbraw/zinc/84/16/17/710841617.db2.gz CBVCMXHHVOPNJS-GXSJLCMTSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001067722239 710979208 /nfs/dbraw/zinc/97/92/08/710979208.db2.gz NTPIXLDKAHUUCJ-GFCCVEGCSA-N 1 2 248.330 1.232 20 0 BDADLO COc1ccc(C)cc1C[NH2+]Cc1cnn(C)n1 ZINC000389819418 711090479 /nfs/dbraw/zinc/09/04/79/711090479.db2.gz YNWCYMPCGSSMDZ-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CCCn1nccc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392411450 711147075 /nfs/dbraw/zinc/14/70/75/711147075.db2.gz BIFVZMHWGMHWND-VIFPVBQESA-N 1 2 248.334 1.570 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnccc2C)[nH]1 ZINC000392494699 711148611 /nfs/dbraw/zinc/14/86/11/711148611.db2.gz ZCEULKDINVSOPD-SECBINFHSA-N 1 2 231.303 1.667 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)F)C[N@@H+]1CCF ZINC001071310953 711189124 /nfs/dbraw/zinc/18/91/24/711189124.db2.gz XJMDVCUVQSMQDT-NXEZZACHSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)F)C[N@H+]1CCF ZINC001071310953 711189127 /nfs/dbraw/zinc/18/91/27/711189127.db2.gz XJMDVCUVQSMQDT-NXEZZACHSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000397799880 711392118 /nfs/dbraw/zinc/39/21/18/711392118.db2.gz DZIZAVVJVHINKE-DCAQKATOSA-N 1 2 245.363 1.713 20 0 BDADLO CNc1cc(N[C@@H]2CSC[C@H]2C)nc[nH+]1 ZINC000397893715 711394904 /nfs/dbraw/zinc/39/49/04/711394904.db2.gz RBNNRGBAACCCJG-HTQZYQBOSA-N 1 2 224.333 1.682 20 0 BDADLO CNc1cc(N[C@@H]2CSC[C@H]2C)[nH+]cn1 ZINC000397893715 711394908 /nfs/dbraw/zinc/39/49/08/711394908.db2.gz RBNNRGBAACCCJG-HTQZYQBOSA-N 1 2 224.333 1.682 20 0 BDADLO CNc1cc(NCCOC2CCCC2)[nH+]cn1 ZINC000133695816 711455119 /nfs/dbraw/zinc/45/51/19/711455119.db2.gz UVZJWZGXHYTVLB-UHFFFAOYSA-N 1 2 236.319 1.889 20 0 BDADLO CCCNc1cc(N2CC(C)(OC)C2)nc[nH+]1 ZINC000382621277 711498417 /nfs/dbraw/zinc/49/84/17/711498417.db2.gz BPZNCZPGYUXJRU-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N2CC(C)(OC)C2)[nH+]cn1 ZINC000382621277 711498419 /nfs/dbraw/zinc/49/84/19/711498419.db2.gz BPZNCZPGYUXJRU-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO Cc1nc(NCC[C@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000723362207 711509003 /nfs/dbraw/zinc/50/90/03/711509003.db2.gz DYNYBCVTEGBDCL-JTQLQIEISA-N 1 2 234.303 1.065 20 0 BDADLO [NH3+][C@H](CC(=O)NCCc1cccs1)C(F)F ZINC000724740334 711610281 /nfs/dbraw/zinc/61/02/81/711610281.db2.gz PBSOPENZVCZRLW-MRVPVSSYSA-N 1 2 248.298 1.389 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721547634 711622774 /nfs/dbraw/zinc/62/27/74/711622774.db2.gz AZWGMVNEQDRCTA-GMTAPVOTSA-N 1 2 243.347 1.731 20 0 BDADLO OCC[C@@H](Nc1cc[nH+]cc1F)C1CCCC1 ZINC000725040246 711645891 /nfs/dbraw/zinc/64/58/91/711645891.db2.gz DWECMGLVBBJFLX-GFCCVEGCSA-N 1 2 238.306 1.996 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C(C)(C)C ZINC000393788618 711678637 /nfs/dbraw/zinc/67/86/37/711678637.db2.gz JYDGRDCBLLRVSH-UWVGGRQHSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)[C@H](CO)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000394087271 711683630 /nfs/dbraw/zinc/68/36/30/711683630.db2.gz OCEVUMRWMCHXFZ-MNOVXSKESA-N 1 2 245.363 1.571 20 0 BDADLO C[C@H](c1nc(Cc2cn[nH]c2)no1)[NH+](C)C ZINC000924138431 711705689 /nfs/dbraw/zinc/70/56/89/711705689.db2.gz BRTWSKHDLYMRNK-SSDOTTSWSA-N 1 2 221.264 1.006 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)[nH]n1 ZINC000722313030 711734287 /nfs/dbraw/zinc/73/42/87/711734287.db2.gz OARLJHYEMBTGDO-VXGBXAGGSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)o1 ZINC001010046920 711738239 /nfs/dbraw/zinc/73/82/39/711738239.db2.gz ZEGOMJZSOYSJQN-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)o1 ZINC001010046920 711738241 /nfs/dbraw/zinc/73/82/41/711738241.db2.gz ZEGOMJZSOYSJQN-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO CC[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896926168 711784133 /nfs/dbraw/zinc/78/41/33/711784133.db2.gz APSHGHBKJRKGCO-ZETCQYMHSA-N 1 2 209.293 1.689 20 0 BDADLO CC(=O)N1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001060190572 711813482 /nfs/dbraw/zinc/81/34/82/711813482.db2.gz JJSIDRCFHXARJH-LBPRGKRZSA-N 1 2 248.330 1.598 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001030208386 711828027 /nfs/dbraw/zinc/82/80/27/711828027.db2.gz PBAFQGRDAYXAJC-UHFFFAOYSA-N 1 2 234.343 1.863 20 0 BDADLO C[C@@H]1C[N@H+](C/C(Cl)=C\Cl)C[C@H]1O ZINC000388426520 711878162 /nfs/dbraw/zinc/87/81/62/711878162.db2.gz KTJMKIRQDABQKC-HJYADYMVSA-N 1 2 210.104 1.618 20 0 BDADLO C[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)C[C@H]1O ZINC000388426520 711878164 /nfs/dbraw/zinc/87/81/64/711878164.db2.gz KTJMKIRQDABQKC-HJYADYMVSA-N 1 2 210.104 1.618 20 0 BDADLO COCC[N@H+](C)Cn1c2ccccc2oc1=O ZINC000068960827 711890140 /nfs/dbraw/zinc/89/01/40/711890140.db2.gz RRUFQFREKICSPT-UHFFFAOYSA-N 1 2 236.271 1.130 20 0 BDADLO COCC[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000068960827 711890142 /nfs/dbraw/zinc/89/01/42/711890142.db2.gz RRUFQFREKICSPT-UHFFFAOYSA-N 1 2 236.271 1.130 20 0 BDADLO COC[C@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)OC ZINC000353667007 711893119 /nfs/dbraw/zinc/89/31/19/711893119.db2.gz BGHOIDBYDNQYKW-GXSJLCMTSA-N 1 2 239.319 1.038 20 0 BDADLO c1ccc2c(C[NH2+]C3CSC3)n[nH]c2c1 ZINC000702031101 712036455 /nfs/dbraw/zinc/03/64/55/712036455.db2.gz UGBRURJWKZAOQT-UHFFFAOYSA-N 1 2 219.313 1.768 20 0 BDADLO OCC[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1 ZINC000702209540 712040227 /nfs/dbraw/zinc/04/02/27/712040227.db2.gz DLWGITGDFHOUAP-CYBMUJFWSA-N 1 2 239.290 1.409 20 0 BDADLO OCC[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1 ZINC000702209540 712040229 /nfs/dbraw/zinc/04/02/29/712040229.db2.gz DLWGITGDFHOUAP-CYBMUJFWSA-N 1 2 239.290 1.409 20 0 BDADLO CCc1nnc(C[NH2+]C2(COC)CC2)s1 ZINC000702683369 712059239 /nfs/dbraw/zinc/05/92/39/712059239.db2.gz VCQRHIUHFFYPRT-UHFFFAOYSA-N 1 2 227.333 1.369 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(Cl)nn1 ZINC000706894600 712159676 /nfs/dbraw/zinc/15/96/76/712159676.db2.gz APLFKAGQTJTXEK-JGVFFNPUSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(Cl)nn1 ZINC000706894600 712159677 /nfs/dbraw/zinc/15/96/77/712159677.db2.gz APLFKAGQTJTXEK-JGVFFNPUSA-N 1 2 211.696 1.970 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@@H](CO)C2)nc[nH+]1 ZINC000707488390 712172679 /nfs/dbraw/zinc/17/26/79/712172679.db2.gz MVVGQTBDJOXZNM-AOOOYVTPSA-N 1 2 236.319 1.481 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@@H](CO)C2)[nH+]cn1 ZINC000707488390 712172681 /nfs/dbraw/zinc/17/26/81/712172681.db2.gz MVVGQTBDJOXZNM-AOOOYVTPSA-N 1 2 236.319 1.481 20 0 BDADLO COC(=O)C[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000709253189 712218670 /nfs/dbraw/zinc/21/86/70/712218670.db2.gz OUUHOVYSSNJFLT-FOGDFJRCSA-N 1 2 211.305 1.718 20 0 BDADLO CCOC(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922912374 712286417 /nfs/dbraw/zinc/28/64/17/712286417.db2.gz GOYPBCFGFIQRCC-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922918369 712286951 /nfs/dbraw/zinc/28/69/51/712286951.db2.gz RNBQVVRRRCECLH-QTKMDUPCSA-N 1 2 246.310 1.999 20 0 BDADLO CC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001065635755 712355739 /nfs/dbraw/zinc/35/57/39/712355739.db2.gz SBHWSBNJWCDJSR-JOYOIKCWSA-N 1 2 248.330 1.454 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccncc2F)C1 ZINC000379101995 712369387 /nfs/dbraw/zinc/36/93/87/712369387.db2.gz FSBQSJXSQPOCSJ-UHFFFAOYSA-N 1 2 237.278 1.045 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584944 712389247 /nfs/dbraw/zinc/38/92/47/712389247.db2.gz WVGOJBBXBJBVLN-BDAKNGLRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000379584944 712389248 /nfs/dbraw/zinc/38/92/48/712389248.db2.gz WVGOJBBXBJBVLN-BDAKNGLRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795354 712449493 /nfs/dbraw/zinc/44/94/93/712449493.db2.gz JEYHUYCNKTUCES-RKDXNWHRSA-N 1 2 241.253 1.268 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795354 712449494 /nfs/dbraw/zinc/44/94/94/712449494.db2.gz JEYHUYCNKTUCES-RKDXNWHRSA-N 1 2 241.253 1.268 20 0 BDADLO CCn1cc(CNc2ccc(C)[nH+]c2C)nn1 ZINC000714923714 712500315 /nfs/dbraw/zinc/50/03/15/712500315.db2.gz PFLUOQMWKCGFJF-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCCn1cc([C@H](C)[NH2+]CCF)nn1 ZINC000715833207 712533909 /nfs/dbraw/zinc/53/39/09/712533909.db2.gz BLQWLVUFEKCHHF-QMMMGPOBSA-N 1 2 200.261 1.308 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000037102669 712539357 /nfs/dbraw/zinc/53/93/57/712539357.db2.gz ZIMPCZHPYKXCGW-AEJSXWLSSA-N 1 2 231.361 1.669 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccns1 ZINC000715928253 712543001 /nfs/dbraw/zinc/54/30/01/712543001.db2.gz SSNCNNRFAPBBEW-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000930250876 712615532 /nfs/dbraw/zinc/61/55/32/712615532.db2.gz GTPLQFXIZPWZQT-TUAOUCFPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000930250876 712615533 /nfs/dbraw/zinc/61/55/33/712615533.db2.gz GTPLQFXIZPWZQT-TUAOUCFPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000930250870 712615601 /nfs/dbraw/zinc/61/56/01/712615601.db2.gz GTPLQFXIZPWZQT-SRVKXCTJSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000930250870 712615602 /nfs/dbraw/zinc/61/56/02/712615602.db2.gz GTPLQFXIZPWZQT-SRVKXCTJSA-N 1 2 237.347 1.726 20 0 BDADLO CO[C@H](C[NH2+]Cc1ncc[nH]1)C(F)(F)F ZINC000379915981 712626475 /nfs/dbraw/zinc/62/64/75/712626475.db2.gz CDZOWHNKTLBIPW-ZCFIWIBFSA-N 1 2 223.198 1.077 20 0 BDADLO CCc1cc(CNc2cccc[nH+]2)[nH]n1 ZINC000380008034 712669715 /nfs/dbraw/zinc/66/97/15/712669715.db2.gz QBCHPDBAOVEAQB-UHFFFAOYSA-N 1 2 202.261 1.979 20 0 BDADLO Cc1conc1CSc1nc(N)cc(C)[nH+]1 ZINC000720351472 712832701 /nfs/dbraw/zinc/83/27/01/712832701.db2.gz LBYXKPGMYLAERY-UHFFFAOYSA-N 1 2 236.300 1.956 20 0 BDADLO CNc1cc(N2CCO[C@@H](C)CC2)nc[nH+]1 ZINC000720463494 712845223 /nfs/dbraw/zinc/84/52/23/712845223.db2.gz ZQQRDPUWZKFEIC-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N2CCO[C@@H](C)CC2)[nH+]cn1 ZINC000720463494 712845225 /nfs/dbraw/zinc/84/52/25/712845225.db2.gz ZQQRDPUWZKFEIC-VIFPVBQESA-N 1 2 222.292 1.134 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[C@@H]1CCCO1 ZINC000720596817 712856611 /nfs/dbraw/zinc/85/66/11/712856611.db2.gz NUGNWJACPBMYQM-KCJUWKMLSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1nc(NC[C@H]2CCC=CO2)cc[nH+]1 ZINC000380323976 712883367 /nfs/dbraw/zinc/88/33/67/712883367.db2.gz LIIDDZMWWBVCFG-SNVBAGLBSA-N 1 2 205.261 1.312 20 0 BDADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C)nc1C ZINC001037987518 712896845 /nfs/dbraw/zinc/89/68/45/712896845.db2.gz PLOPPUIAWVLZPN-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1oc(C)nc1C ZINC001037987518 712896846 /nfs/dbraw/zinc/89/68/46/712896846.db2.gz PLOPPUIAWVLZPN-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987433 957301114 /nfs/dbraw/zinc/30/11/14/957301114.db2.gz RSMIVDIRWJQRJR-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987433 957301126 /nfs/dbraw/zinc/30/11/26/957301126.db2.gz RSMIVDIRWJQRJR-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)c1cccnc1 ZINC000724767895 959425271 /nfs/dbraw/zinc/42/52/71/959425271.db2.gz XRSWGTZMPNUPTK-CBAPKCEASA-N 1 2 243.257 1.241 20 0 BDADLO COc1cc[nH+]cc1NC(C)(C)CCO ZINC001167739101 960357271 /nfs/dbraw/zinc/35/72/71/960357271.db2.gz FAHQVDPUWFBEAY-UHFFFAOYSA-N 1 2 210.277 1.663 20 0 BDADLO CC(C)(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692642534 960364980 /nfs/dbraw/zinc/36/49/80/960364980.db2.gz MUFBTGAMNBKBGS-UHFFFAOYSA-N 1 2 223.320 1.781 20 0 BDADLO C[C@@H](C[N@H+](CC[NH3+])Cc1ccccc1)C(=O)[O-] ZINC000235114045 960388137 /nfs/dbraw/zinc/38/81/37/960388137.db2.gz PKFGBRQUKUCZSZ-NSHDSACASA-N 1 2 236.315 1.168 20 0 BDADLO C[C@@H](C[N@@H+](CC[NH3+])Cc1ccccc1)C(=O)[O-] ZINC000235114045 960388145 /nfs/dbraw/zinc/38/81/45/960388145.db2.gz PKFGBRQUKUCZSZ-NSHDSACASA-N 1 2 236.315 1.168 20 0 BDADLO CC[N@H+](Cc1cc[nH]c1)[C@@H](C)C(=O)OC ZINC001140710725 960527231 /nfs/dbraw/zinc/52/72/31/960527231.db2.gz SMNSBYSCUMLEJS-VIFPVBQESA-N 1 2 210.277 1.398 20 0 BDADLO CC[N@@H+](Cc1cc[nH]c1)[C@@H](C)C(=O)OC ZINC001140710725 960527242 /nfs/dbraw/zinc/52/72/42/960527242.db2.gz SMNSBYSCUMLEJS-VIFPVBQESA-N 1 2 210.277 1.398 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@@H+]1CCCCCO ZINC001206745334 960557981 /nfs/dbraw/zinc/55/79/81/960557981.db2.gz UXVCBJMIWFYMNW-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@H+]1CCCCCO ZINC001206745334 960557997 /nfs/dbraw/zinc/55/79/97/960557997.db2.gz UXVCBJMIWFYMNW-SNVBAGLBSA-N 1 2 237.290 1.241 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)n[nH]1 ZINC001203069978 960611508 /nfs/dbraw/zinc/61/15/08/960611508.db2.gz HBIXVRAHOPYBFU-MWLCHTKSSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)n[nH]1 ZINC001203069978 960611513 /nfs/dbraw/zinc/61/15/13/960611513.db2.gz HBIXVRAHOPYBFU-MWLCHTKSSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@H](O)C2)n[nH]1 ZINC001203069921 960618411 /nfs/dbraw/zinc/61/84/11/960618411.db2.gz FJHZONIQVCNLBC-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@H](O)C2)n[nH]1 ZINC001203069921 960618423 /nfs/dbraw/zinc/61/84/23/960618423.db2.gz FJHZONIQVCNLBC-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnco2)CCO1 ZINC001140933731 960712897 /nfs/dbraw/zinc/71/28/97/960712897.db2.gz GRQYGPHHGPKJFL-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnco2)CCO1 ZINC001140933731 960712911 /nfs/dbraw/zinc/71/29/11/960712911.db2.gz GRQYGPHHGPKJFL-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140934613 960717615 /nfs/dbraw/zinc/71/76/15/960717615.db2.gz OXCGWQDFNUUNOH-DCAQKATOSA-N 1 2 221.279 1.575 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140934613 960717618 /nfs/dbraw/zinc/71/76/18/960717618.db2.gz OXCGWQDFNUUNOH-DCAQKATOSA-N 1 2 221.279 1.575 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC001203082994 960770095 /nfs/dbraw/zinc/77/00/95/960770095.db2.gz FIPDKJHWZVMCHR-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC001203082994 960770112 /nfs/dbraw/zinc/77/01/12/960770112.db2.gz FIPDKJHWZVMCHR-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cn[nH]c2)C[C@@H]1F ZINC001203086122 960804354 /nfs/dbraw/zinc/80/43/54/960804354.db2.gz KFZDBDUCWCWRAK-VHSXEESVSA-N 1 2 215.247 1.682 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cn[nH]c2)C[C@@H]1F ZINC001203086122 960804356 /nfs/dbraw/zinc/80/43/56/960804356.db2.gz KFZDBDUCWCWRAK-VHSXEESVSA-N 1 2 215.247 1.682 20 0 BDADLO CCCCc1[nH]c(CN2CCC(=O)C2)c[nH+]1 ZINC001141071879 960861434 /nfs/dbraw/zinc/86/14/34/960861434.db2.gz FWNZGYZXIVIGNF-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCCCc1[nH]cc(CN2CCC(=O)C2)[nH+]1 ZINC001141071879 960861439 /nfs/dbraw/zinc/86/14/39/960861439.db2.gz FWNZGYZXIVIGNF-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCC(=O)N(CC)CC[NH2+]Cc1ncc(C)o1 ZINC001268428232 961771461 /nfs/dbraw/zinc/77/14/61/961771461.db2.gz CIHPOKATUCKPDU-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@@H](C)CCO ZINC001156452493 963358217 /nfs/dbraw/zinc/35/82/17/963358217.db2.gz UPKJBUVAOXNNIM-VIFPVBQESA-N 1 2 210.277 1.581 20 0 BDADLO CCc1[nH]c(CNC(=O)C2=CCCC2)c[nH+]1 ZINC001156538192 963381040 /nfs/dbraw/zinc/38/10/40/963381040.db2.gz OQYJZIDXCJXOQJ-UHFFFAOYSA-N 1 2 219.288 1.699 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2=CCCC2)[nH+]1 ZINC001156538192 963381049 /nfs/dbraw/zinc/38/10/49/963381049.db2.gz OQYJZIDXCJXOQJ-UHFFFAOYSA-N 1 2 219.288 1.699 20 0 BDADLO CC/C=C(\C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910185 963521169 /nfs/dbraw/zinc/52/11/69/963521169.db2.gz KSKURWFYBKQUBJ-SOFGYWHQSA-N 1 2 221.304 1.999 20 0 BDADLO CCC=C(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910185 963521180 /nfs/dbraw/zinc/52/11/80/963521180.db2.gz KSKURWFYBKQUBJ-SOFGYWHQSA-N 1 2 221.304 1.999 20 0 BDADLO CC(C)[NH+]1CC(Nc2cccc(N(C)C)n2)C1 ZINC001157525526 963645184 /nfs/dbraw/zinc/64/51/84/963645184.db2.gz DVPIZQIOGUFIFX-UHFFFAOYSA-N 1 2 234.347 1.652 20 0 BDADLO Cc1[nH+]cccc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168344206 964480210 /nfs/dbraw/zinc/48/02/10/964480210.db2.gz PBPSBGRYURNOMY-KLPPZKSPSA-N 1 2 206.289 1.963 20 0 BDADLO C=C(C)CN(CC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC000056969487 964752311 /nfs/dbraw/zinc/75/23/11/964752311.db2.gz HVMKVMMMLJDSJV-LLVKDONJSA-N 1 2 221.304 1.869 20 0 BDADLO C[C@H](F)CC[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042393377 965003143 /nfs/dbraw/zinc/00/31/43/965003143.db2.gz ASQWIJWJZLETIR-ZETCQYMHSA-N 1 2 238.253 1.142 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cnn(C)c2)c[nH+]1 ZINC001232458713 965357873 /nfs/dbraw/zinc/35/78/73/965357873.db2.gz RTMHVWLDJXZRMW-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2cnn(C)c2)[nH+]1 ZINC001232458713 965357876 /nfs/dbraw/zinc/35/78/76/965357876.db2.gz RTMHVWLDJXZRMW-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CC(=O)CN(C)c1cc2[nH]ccc2c[nH+]1 ZINC001164188914 965783191 /nfs/dbraw/zinc/78/31/91/965783191.db2.gz NCKIQBDEQANAQJ-UHFFFAOYSA-N 1 2 203.245 1.588 20 0 BDADLO CCN(CCC(N)=O)c1[nH+]ccc(F)c1C ZINC001166588363 966309585 /nfs/dbraw/zinc/30/95/85/966309585.db2.gz FDUZUXOMCIXDJK-UHFFFAOYSA-N 1 2 225.267 1.231 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238018675 966708186 /nfs/dbraw/zinc/70/81/86/966708186.db2.gz VNWZVLBFIWDDRU-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238018675 966708194 /nfs/dbraw/zinc/70/81/94/966708194.db2.gz VNWZVLBFIWDDRU-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO CCCCCNC(=O)NCc1c[nH+]cn1C ZINC000357068582 967193894 /nfs/dbraw/zinc/19/38/94/967193894.db2.gz QPBFBEVQDUZZMM-UHFFFAOYSA-N 1 2 224.308 1.410 20 0 BDADLO Oc1cc(CC[NH+]2CCOCC2)ccc1Cl ZINC001250278082 967613337 /nfs/dbraw/zinc/61/33/37/967613337.db2.gz SXICVPUVUCRMSS-UHFFFAOYSA-N 1 2 241.718 1.920 20 0 BDADLO C[N@H+](Cc1cnoc1)Cc1ccncc1 ZINC001205677755 967767448 /nfs/dbraw/zinc/76/74/48/967767448.db2.gz MESUMGWJQFDLDS-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1cnoc1)Cc1ccncc1 ZINC001205677755 967767465 /nfs/dbraw/zinc/76/74/65/967767465.db2.gz MESUMGWJQFDLDS-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001206086560 968050924 /nfs/dbraw/zinc/05/09/24/968050924.db2.gz DXSFLJBOLFQKKM-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001206086560 968050929 /nfs/dbraw/zinc/05/09/29/968050929.db2.gz DXSFLJBOLFQKKM-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO C[C@H](O)C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001251962000 968399156 /nfs/dbraw/zinc/39/91/56/968399156.db2.gz WPHPXKIJQSDINZ-VIFPVBQESA-N 1 2 225.263 1.270 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1C/C=C\Cl)C(=O)C1CC1 ZINC001085449559 968719423 /nfs/dbraw/zinc/71/94/23/968719423.db2.gz XTVLQGZCOJGALL-WPPTZLTKSA-N 1 2 242.750 1.682 20 0 BDADLO CN(C[C@H]1CC[N@H+]1C/C=C\Cl)C(=O)C1CC1 ZINC001085449559 968719432 /nfs/dbraw/zinc/71/94/32/968719432.db2.gz XTVLQGZCOJGALL-WPPTZLTKSA-N 1 2 242.750 1.682 20 0 BDADLO Cc1cc2c(cn1)C[N@H+](C[C@H]1CCCO1)C2 ZINC001207887393 968914533 /nfs/dbraw/zinc/91/45/33/968914533.db2.gz HWVWLSSGHMMTRC-CYBMUJFWSA-N 1 2 218.300 1.885 20 0 BDADLO Cc1cc2c(cn1)C[N@@H+](C[C@H]1CCCO1)C2 ZINC001207887393 968914537 /nfs/dbraw/zinc/91/45/37/968914537.db2.gz HWVWLSSGHMMTRC-CYBMUJFWSA-N 1 2 218.300 1.885 20 0 BDADLO CC1(F)C[NH+](CC2(C)CCOCC2)C1 ZINC001207964258 968963989 /nfs/dbraw/zinc/96/39/89/968963989.db2.gz SWBJOJDTICBPDR-UHFFFAOYSA-N 1 2 201.285 1.847 20 0 BDADLO CS[C@@H](C)CC[N@@H+]1CCCC(=O)C1 ZINC001208146979 969064822 /nfs/dbraw/zinc/06/48/22/969064822.db2.gz KSGUTEAVKIMRDY-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CS[C@@H](C)CC[N@H+]1CCCC(=O)C1 ZINC001208146979 969064834 /nfs/dbraw/zinc/06/48/34/969064834.db2.gz KSGUTEAVKIMRDY-VIFPVBQESA-N 1 2 201.335 1.793 20 0 BDADLO CCCCC[C@H](O)C[N@H+](C)Cc1ncccn1 ZINC001253519749 969198037 /nfs/dbraw/zinc/19/80/37/969198037.db2.gz RNDADQQRMKMHEL-LBPRGKRZSA-N 1 2 237.347 1.850 20 0 BDADLO CCCCC[C@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001253519749 969198039 /nfs/dbraw/zinc/19/80/39/969198039.db2.gz RNDADQQRMKMHEL-LBPRGKRZSA-N 1 2 237.347 1.850 20 0 BDADLO C[C@H](C[N@@H+]1CC[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208893726 969281811 /nfs/dbraw/zinc/28/18/11/969281811.db2.gz FGXIADMPIUCHTI-GJMOJQLCSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@H](C[N@H+]1CC[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208893726 969281816 /nfs/dbraw/zinc/28/18/16/969281816.db2.gz FGXIADMPIUCHTI-GJMOJQLCSA-N 1 2 229.217 1.590 20 0 BDADLO CC[C@H]([NH2+]C[C@H](O)C(C)C)C(=O)OC(C)(C)C ZINC001253781520 969402796 /nfs/dbraw/zinc/40/27/96/969402796.db2.gz ADDFEBBOQMTVHH-QWRGUYRKSA-N 1 2 245.363 1.713 20 0 BDADLO COC(C)(C)CC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209404367 969446507 /nfs/dbraw/zinc/44/65/07/969446507.db2.gz WQVGQIKYMDHKEF-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO COC(C)(C)CC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209404367 969446514 /nfs/dbraw/zinc/44/65/14/969446514.db2.gz WQVGQIKYMDHKEF-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO FC1(F)CCN(C2C[NH+]([C@@H]3CCCOC3)C2)C1 ZINC001254382015 969594310 /nfs/dbraw/zinc/59/43/10/969594310.db2.gz BVEYWNIOZKOHMF-SNVBAGLBSA-N 1 2 246.301 1.191 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC001255526283 970283249 /nfs/dbraw/zinc/28/32/49/970283249.db2.gz LSCMJXJVSNATPT-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H](C)COC ZINC001255560544 970344701 /nfs/dbraw/zinc/34/47/01/970344701.db2.gz GYKGBIZWOUSMMZ-CMPLNLGQSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H]1C[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205635 970571645 /nfs/dbraw/zinc/57/16/45/970571645.db2.gz ZXIQICGCJYRVBT-VWYCJHECSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@H]1C[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205635 970571655 /nfs/dbraw/zinc/57/16/55/970571655.db2.gz ZXIQICGCJYRVBT-VWYCJHECSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001170227840 970634631 /nfs/dbraw/zinc/63/46/31/970634631.db2.gz QCPWSXIFRYKRIJ-AXFHLTTASA-N 1 2 249.301 1.646 20 0 BDADLO CN(C)C1C[NH+]([C@H]2CCc3ncsc3C2)C1 ZINC001173128481 975039097 /nfs/dbraw/zinc/03/90/97/975039097.db2.gz DMNUIGVUQGXGIP-VIFPVBQESA-N 1 2 237.372 1.246 20 0 BDADLO C[C@H]1C[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001173173620 975052397 /nfs/dbraw/zinc/05/23/97/975052397.db2.gz PYAAHPCBUPEUOG-IVZWLZJFSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1C[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001173173620 975052402 /nfs/dbraw/zinc/05/24/02/975052402.db2.gz PYAAHPCBUPEUOG-IVZWLZJFSA-N 1 2 235.274 1.256 20 0 BDADLO CCN1CC[C@@H]([NH+]2CC3(C2)CCCOC3)C1 ZINC001173361415 975330794 /nfs/dbraw/zinc/33/07/94/975330794.db2.gz SXJGGLPYWWKJRT-GFCCVEGCSA-N 1 2 224.348 1.193 20 0 BDADLO COC(=O)CCCC[C@H](C)[N@@H+]1CCC(=O)C1 ZINC001173455098 975394364 /nfs/dbraw/zinc/39/43/64/975394364.db2.gz LSATUWPXYZXGFC-JTQLQIEISA-N 1 2 227.304 1.383 20 0 BDADLO COC(=O)CCCC[C@H](C)[N@H+]1CCC(=O)C1 ZINC001173455098 975394376 /nfs/dbraw/zinc/39/43/76/975394376.db2.gz LSATUWPXYZXGFC-JTQLQIEISA-N 1 2 227.304 1.383 20 0 BDADLO CC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230812706 977342019 /nfs/dbraw/zinc/34/20/19/977342019.db2.gz YNMQJBLWTQNKDO-GHMZBOCLSA-N 1 2 230.327 1.535 20 0 BDADLO COC/C(C)=C/C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC001335927253 977365039 /nfs/dbraw/zinc/36/50/39/977365039.db2.gz IXVSNLSVCNDSBF-AMYKANGRSA-N 1 2 245.388 1.420 20 0 BDADLO C[N@@H+]1CCN(C(=O)c2ccns2)CC1(C)C ZINC001335944305 977379117 /nfs/dbraw/zinc/37/91/17/977379117.db2.gz AJWVDEVNZLTSHI-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO C[N@H+]1CCN(C(=O)c2ccns2)CC1(C)C ZINC001335944305 977379124 /nfs/dbraw/zinc/37/91/24/977379124.db2.gz AJWVDEVNZLTSHI-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)C2(C)COC2)n1 ZINC001231674420 977693753 /nfs/dbraw/zinc/69/37/53/977693753.db2.gz VIDQHRBDPFBINA-UHFFFAOYSA-N 1 2 222.288 1.316 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C)C2(C)COC2)n1 ZINC001231674420 977693766 /nfs/dbraw/zinc/69/37/66/977693766.db2.gz VIDQHRBDPFBINA-UHFFFAOYSA-N 1 2 222.288 1.316 20 0 BDADLO Cc1ccc(C[NH+]2CC(C)(O)C2)c(C)n1 ZINC001232081908 977885381 /nfs/dbraw/zinc/88/53/81/977885381.db2.gz MHGAYJDOOAPCBE-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO COCc1cccc(C[N@H+](C)CCF)n1 ZINC001232257429 977982981 /nfs/dbraw/zinc/98/29/81/977982981.db2.gz CCPXDZVIIFIRDZ-UHFFFAOYSA-N 1 2 212.268 1.629 20 0 BDADLO COCc1cccc(C[N@@H+](C)CCF)n1 ZINC001232257429 977982988 /nfs/dbraw/zinc/98/29/88/977982988.db2.gz CCPXDZVIIFIRDZ-UHFFFAOYSA-N 1 2 212.268 1.629 20 0 BDADLO Cc1c(F)cc(C[NH+]2CC(C(N)=O)C2)cc1F ZINC001232424996 978062940 /nfs/dbraw/zinc/06/29/40/978062940.db2.gz VZJSVMVVNQTVJD-UHFFFAOYSA-N 1 2 240.253 1.190 20 0 BDADLO Cc1[nH]c(CN2CC[C@@](C)(F)[C@H](F)C2)c[nH+]1 ZINC001232459988 978083975 /nfs/dbraw/zinc/08/39/75/978083975.db2.gz LETQTRLCTNSRQV-GHMZBOCLSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1[nH]cc(CN2CC[C@@](C)(F)[C@H](F)C2)[nH+]1 ZINC001232459988 978083992 /nfs/dbraw/zinc/08/39/92/978083992.db2.gz LETQTRLCTNSRQV-GHMZBOCLSA-N 1 2 229.274 1.990 20 0 BDADLO CC(=O)[C@@H]1CCCCN1Cc1c[nH+]c(C)[nH]1 ZINC001232464992 978108606 /nfs/dbraw/zinc/10/86/06/978108606.db2.gz PORTZXLDWQIJPT-LBPRGKRZSA-N 1 2 221.304 1.662 20 0 BDADLO CC(=O)[C@@H]1CCCCN1Cc1c[nH]c(C)[nH+]1 ZINC001232464992 978108613 /nfs/dbraw/zinc/10/86/13/978108613.db2.gz PORTZXLDWQIJPT-LBPRGKRZSA-N 1 2 221.304 1.662 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(N)nc[nH+]1 ZINC001339692616 978894989 /nfs/dbraw/zinc/89/49/89/978894989.db2.gz SMKSYIAFFUQWSX-BQBZGAKWSA-N 1 2 246.236 1.836 20 0 BDADLO Fc1cnc(C[N@@H+]2CCC3(CC3)C2)nc1 ZINC001235008471 978950973 /nfs/dbraw/zinc/95/09/73/978950973.db2.gz WAGZYJRTPGLDLH-UHFFFAOYSA-N 1 2 207.252 1.602 20 0 BDADLO Fc1cnc(C[N@H+]2CCC3(CC3)C2)nc1 ZINC001235008471 978950977 /nfs/dbraw/zinc/95/09/77/978950977.db2.gz WAGZYJRTPGLDLH-UHFFFAOYSA-N 1 2 207.252 1.602 20 0 BDADLO C[C@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1(C)C ZINC001340309151 979009691 /nfs/dbraw/zinc/00/96/91/979009691.db2.gz QQADQXWUWFRFJQ-IUCAKERBSA-N 1 2 248.317 1.864 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001235550833 979093915 /nfs/dbraw/zinc/09/39/15/979093915.db2.gz ZJKQUCRHOKCSGG-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@@H](C)C(C)C)[nH+]1 ZINC001181500364 979124716 /nfs/dbraw/zinc/12/47/16/979124716.db2.gz CZJNSYWREIZTJG-JTQLQIEISA-N 1 2 223.320 1.669 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@@]1(F)Cl)C1C[NH+](C)C1 ZINC001181666031 979237445 /nfs/dbraw/zinc/23/74/45/979237445.db2.gz SGCROXWWKGYOSL-WPRPVWTQSA-N 1 2 234.702 1.073 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@]1(F)Cl)C1C[NH+](C)C1 ZINC001181666029 979234835 /nfs/dbraw/zinc/23/48/35/979234835.db2.gz SGCROXWWKGYOSL-WCBMZHEXSA-N 1 2 234.702 1.073 20 0 BDADLO C[N@@H+](CCO)Cc1ccc(F)c(O)c1F ZINC001236255442 979478005 /nfs/dbraw/zinc/47/80/05/979478005.db2.gz DGXGVHAFYBOOCU-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nccnc1Cl ZINC001236613146 979677459 /nfs/dbraw/zinc/67/74/59/979677459.db2.gz GHRMLTWCJHWCNR-BDAKNGLRSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nccnc1Cl ZINC001236613146 979677467 /nfs/dbraw/zinc/67/74/67/979677467.db2.gz GHRMLTWCJHWCNR-BDAKNGLRSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1nccnc1Cl ZINC001236622621 979679348 /nfs/dbraw/zinc/67/93/48/979679348.db2.gz WGYAWMFAMLBRRP-BDAKNGLRSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1nccnc1Cl ZINC001236622621 979679356 /nfs/dbraw/zinc/67/93/56/979679356.db2.gz WGYAWMFAMLBRRP-BDAKNGLRSA-N 1 2 241.722 1.475 20 0 BDADLO CC[N@H+](CC1OC=CC1=S)[C@@H](C)C(=O)OC ZINC001237187320 979836453 /nfs/dbraw/zinc/83/64/53/979836453.db2.gz NZJFCUASLQKFDU-QMMMGPOBSA-N 1 2 243.328 1.952 20 0 BDADLO CC[N@@H+](CC1OC=CC1=S)[C@@H](C)C(=O)OC ZINC001237187320 979836461 /nfs/dbraw/zinc/83/64/61/979836461.db2.gz NZJFCUASLQKFDU-QMMMGPOBSA-N 1 2 243.328 1.952 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)n[nH]1 ZINC001342708195 979874158 /nfs/dbraw/zinc/87/41/58/979874158.db2.gz DFXSCPLQKXBYPP-QWRGUYRKSA-N 1 2 223.320 1.311 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CCC(C)(O)CC1 ZINC001237651251 980006710 /nfs/dbraw/zinc/00/67/10/980006710.db2.gz IWUMYNXFBOSEKJ-UHFFFAOYSA-N 1 2 223.320 1.319 20 0 BDADLO C[C@@H]1[C@@H](C(=O)OCCc2c[nH+]cn2C)C1(F)F ZINC001343325440 980070173 /nfs/dbraw/zinc/07/01/73/980070173.db2.gz QNMSKXCGJFRPAK-APPZFPTMSA-N 1 2 244.241 1.407 20 0 BDADLO C[C@H](C(=O)NOC[C@H](C)[NH3+])c1cccs1 ZINC001343798650 980238716 /nfs/dbraw/zinc/23/87/16/980238716.db2.gz PFUDNXDWNRQCBO-YUMQZZPRSA-N 1 2 228.317 1.247 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCC(C)=O ZINC001344970130 980509502 /nfs/dbraw/zinc/50/95/02/980509502.db2.gz AMSXDXWNFHJAAT-UHFFFAOYSA-N 1 2 224.260 1.315 20 0 BDADLO CC[C@H](C)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001347447744 981081678 /nfs/dbraw/zinc/08/16/78/981081678.db2.gz AGIKZKOGDUREBC-VIFPVBQESA-N 1 2 239.319 1.399 20 0 BDADLO CCCCOC(=O)N1CCn2c[nH+]cc2C1 ZINC001193692370 981413151 /nfs/dbraw/zinc/41/31/51/981413151.db2.gz ZHMLVNWMQCWJPX-UHFFFAOYSA-N 1 2 223.276 1.635 20 0 BDADLO CCCCOC(=O)NCCc1[nH+]ccn1C ZINC001193731120 981417746 /nfs/dbraw/zinc/41/77/46/981417746.db2.gz BDQXDHCZAORBHF-UHFFFAOYSA-N 1 2 225.292 1.489 20 0 BDADLO CC[C@H](C)COC(=O)NCCn1cc[nH+]c1 ZINC001194756757 981885672 /nfs/dbraw/zinc/88/56/72/981885672.db2.gz ROTGWJKZZIGUDY-JTQLQIEISA-N 1 2 225.292 1.655 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)OCCF ZINC001194941652 981984188 /nfs/dbraw/zinc/98/41/88/981984188.db2.gz KZROXHSHDKIDFY-UHFFFAOYSA-N 1 2 223.207 1.852 20 0 BDADLO CCOC(=O)NC(=S)Nc1c[nH+]c(C)n1C ZINC001195461061 982265308 /nfs/dbraw/zinc/26/53/08/982265308.db2.gz GNJCDKWJDIRPTG-UHFFFAOYSA-N 1 2 242.304 1.171 20 0 BDADLO CCc1cnc(C[NH2+][C@]2(C)CCNC2=O)s1 ZINC001352098519 982471358 /nfs/dbraw/zinc/47/13/58/982471358.db2.gz HUZAEKIXLMJKBQ-LLVKDONJSA-N 1 2 239.344 1.074 20 0 BDADLO C[C@@H](C[NH2+]C1CCC(CC(=O)[O-])CC1)[NH+](C)C ZINC001592707259 983199901 /nfs/dbraw/zinc/19/99/01/983199901.db2.gz XBQKHEYTTSMDFJ-UNXYVOJBSA-N 1 2 242.363 1.560 20 0 BDADLO CCN(CCC(=O)NC)c1cc(F)cc(C)[nH+]1 ZINC001354279696 983248079 /nfs/dbraw/zinc/24/80/79/983248079.db2.gz MDZVEXJZEBELRH-UHFFFAOYSA-N 1 2 239.294 1.492 20 0 BDADLO CCN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001201589994 983348490 /nfs/dbraw/zinc/34/84/90/983348490.db2.gz GELQTKDCAIOEMX-SNVBAGLBSA-N 1 2 218.291 1.812 20 0 BDADLO CCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201704374 983415571 /nfs/dbraw/zinc/41/55/71/983415571.db2.gz PNKLXCVLYBUGLZ-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201704374 983415575 /nfs/dbraw/zinc/41/55/75/983415575.db2.gz PNKLXCVLYBUGLZ-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000794648524 983840252 /nfs/dbraw/zinc/84/02/52/983840252.db2.gz BDAMADABPKRRGU-LLVKDONJSA-N 1 2 243.738 1.995 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000794648524 983840256 /nfs/dbraw/zinc/84/02/56/983840256.db2.gz BDAMADABPKRRGU-LLVKDONJSA-N 1 2 243.738 1.995 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001172416214 974684560 /nfs/dbraw/zinc/68/45/60/974684560.db2.gz FBCCVOWGXZJCAL-WDEREUQCSA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@H](C)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001172416214 974684564 /nfs/dbraw/zinc/68/45/64/974684564.db2.gz FBCCVOWGXZJCAL-WDEREUQCSA-N 1 2 231.311 1.805 20 0 BDADLO CC(C)OCC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC001172434423 974721865 /nfs/dbraw/zinc/72/18/65/974721865.db2.gz PIPZTCVSSLFSFO-UWVGGRQHSA-N 1 2 215.293 1.095 20 0 BDADLO CC(C)OCC[C@@H](C)[N@@H+]1CCCC(=O)C1 ZINC001172447839 974809824 /nfs/dbraw/zinc/80/98/24/974809824.db2.gz HEYPBNFXWGCKQM-LLVKDONJSA-N 1 2 213.321 1.855 20 0 BDADLO CC(C)OCC[C@@H](C)[N@H+]1CCCC(=O)C1 ZINC001172447839 974809826 /nfs/dbraw/zinc/80/98/26/974809826.db2.gz HEYPBNFXWGCKQM-LLVKDONJSA-N 1 2 213.321 1.855 20 0 BDADLO CC(C)COCC[C@@H](C)[NH2+]CC(=O)OC(C)C ZINC001172455928 974818992 /nfs/dbraw/zinc/81/89/92/974818992.db2.gz WJUQKRZQIZLRGK-GFCCVEGCSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@@H](OCc1c[nH+]cn1C)c1cncnc1 ZINC001222595186 972593602 /nfs/dbraw/zinc/59/36/02/972593602.db2.gz SBPPNXBBQUTPTR-SECBINFHSA-N 1 2 218.260 1.488 20 0 BDADLO CO[C@@H](C)CO[C@@H](C)COCc1c[nH+]cn1C ZINC001222599407 972600918 /nfs/dbraw/zinc/60/09/18/972600918.db2.gz AREUVZULINCRRY-QWRGUYRKSA-N 1 2 242.319 1.377 20 0 BDADLO Oc1ccc(C[N@@H+]2CCCC23COC3)nc1 ZINC001144258907 972707455 /nfs/dbraw/zinc/70/74/55/972707455.db2.gz HWHJSRSQSBAODF-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Oc1ccc(C[N@H+]2CCCC23COC3)nc1 ZINC001144258907 972707461 /nfs/dbraw/zinc/70/74/61/972707461.db2.gz HWHJSRSQSBAODF-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC001327729687 972720158 /nfs/dbraw/zinc/72/01/58/972720158.db2.gz IVYYFLURPRUYIO-BEYHFKMWSA-N 1 2 239.344 1.078 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC001327729687 972720171 /nfs/dbraw/zinc/72/01/71/972720171.db2.gz IVYYFLURPRUYIO-BEYHFKMWSA-N 1 2 239.344 1.078 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(O)cn2)C[C@H]1F ZINC001144253506 972721536 /nfs/dbraw/zinc/72/15/36/972721536.db2.gz ZYBDCUPAYGNCKP-BXKDBHETSA-N 1 2 224.279 1.967 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(O)cn2)C[C@H]1F ZINC001144253506 972721547 /nfs/dbraw/zinc/72/15/47/972721547.db2.gz ZYBDCUPAYGNCKP-BXKDBHETSA-N 1 2 224.279 1.967 20 0 BDADLO COCCC1(c2nnc(C[NH+](C)C)o2)CC1 ZINC001328432638 973052630 /nfs/dbraw/zinc/05/26/30/973052630.db2.gz HAJCRWCRIREHDI-UHFFFAOYSA-N 1 2 225.292 1.199 20 0 BDADLO CN(CCC(C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC001328422775 973047660 /nfs/dbraw/zinc/04/76/60/973047660.db2.gz NJEPEJFSPYEMBS-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CCC(F)(F)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001329097500 973475847 /nfs/dbraw/zinc/47/58/47/973475847.db2.gz ZXUUXGZYJREABL-QMMMGPOBSA-N 1 2 231.246 1.606 20 0 BDADLO CC[N@H+](CC(=O)OC(C)C)[C@@H]1CCCOC1 ZINC000402615133 970812262 /nfs/dbraw/zinc/81/22/62/970812262.db2.gz RDICJRHGHXKOPD-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)C)[C@@H]1CCCOC1 ZINC000402615133 970812266 /nfs/dbraw/zinc/81/22/66/970812266.db2.gz RDICJRHGHXKOPD-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccccn2)CCO1 ZINC001256423107 970830183 /nfs/dbraw/zinc/83/01/83/970830183.db2.gz DPZQFQCKRKFPCW-BXUZGUMPSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccccn2)CCO1 ZINC001256423107 970830184 /nfs/dbraw/zinc/83/01/84/970830184.db2.gz DPZQFQCKRKFPCW-BXUZGUMPSA-N 1 2 248.326 1.302 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc([C@H]2C[N@H+](C)CCN2C)o1 ZINC001256699024 970925907 /nfs/dbraw/zinc/92/59/07/970925907.db2.gz IMEOHIDALUIPEH-OPRDCNLKSA-N 1 2 236.319 1.111 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc([C@H]2C[N@@H+](C)CCN2C)o1 ZINC001256699024 970925920 /nfs/dbraw/zinc/92/59/20/970925920.db2.gz IMEOHIDALUIPEH-OPRDCNLKSA-N 1 2 236.319 1.111 20 0 BDADLO CN(c1ccc(O)c(CO)c1)c1[nH+]cccc1N ZINC001216136616 970951885 /nfs/dbraw/zinc/95/18/85/970951885.db2.gz VDYHNBGZFSDKCD-UHFFFAOYSA-N 1 2 245.282 1.630 20 0 BDADLO CC1(C)C(=O)Nc2ncnc(C3=C[NH2+]CCC3)c21 ZINC001243950107 971038370 /nfs/dbraw/zinc/03/83/70/971038370.db2.gz VDOCFFLIUDHHSN-UHFFFAOYSA-N 1 2 244.298 1.431 20 0 BDADLO COC(=O)C1([NH2+]C2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC001257071155 971084646 /nfs/dbraw/zinc/08/46/46/971084646.db2.gz VXNYHDPPXZICRV-UWVGGRQHSA-N 1 2 241.331 1.628 20 0 BDADLO C[C@@]1(F)CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001170547623 971151205 /nfs/dbraw/zinc/15/12/05/971151205.db2.gz AZBWLNDZGRNBPB-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001170547623 971151210 /nfs/dbraw/zinc/15/12/10/971151210.db2.gz AZBWLNDZGRNBPB-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnc(N)cn2)c1 ZINC000404527113 971171765 /nfs/dbraw/zinc/17/17/65/971171765.db2.gz LEVHTVHLWQJWMV-UHFFFAOYSA-N 1 2 215.260 1.236 20 0 BDADLO CCC(CC)[NH+]1CC(O)(C(F)(F)F)C1 ZINC001257294456 971182615 /nfs/dbraw/zinc/18/26/15/971182615.db2.gz MYRKOGAGAWKJHI-UHFFFAOYSA-N 1 2 211.227 1.784 20 0 BDADLO Cc1nocc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131515731 971196045 /nfs/dbraw/zinc/19/60/45/971196045.db2.gz AFZBNUMHRULPJC-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)n[nH]1 ZINC001257312728 971205017 /nfs/dbraw/zinc/20/50/17/971205017.db2.gz YVOHATMENIJAOI-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)n[nH]1 ZINC001257312728 971205025 /nfs/dbraw/zinc/20/50/25/971205025.db2.gz YVOHATMENIJAOI-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO CCCC(CCC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257334498 971238809 /nfs/dbraw/zinc/23/88/09/971238809.db2.gz YBMUZHKLLOYWHB-CYBMUJFWSA-N 1 2 243.347 1.877 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000308652888 971279746 /nfs/dbraw/zinc/27/97/46/971279746.db2.gz LZOKTQLILIHPLJ-IUCAKERBSA-N 1 2 217.334 1.279 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001257415572 971308973 /nfs/dbraw/zinc/30/89/73/971308973.db2.gz UMVMQZUYVKIBDS-GRYCIOLGSA-N 1 2 245.363 1.857 20 0 BDADLO Cc1nnc([C@H]([NH3+])[C@@H](C)OC(C)(C)C)o1 ZINC001217700195 971339940 /nfs/dbraw/zinc/33/99/40/971339940.db2.gz BFPJMKKZZHFHAH-HTRCEHHLSA-N 1 2 213.281 1.581 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C1CCCCC1)[C@@H](C)O ZINC001257451084 971369873 /nfs/dbraw/zinc/36/98/73/971369873.db2.gz CXRXOPTXQPZFCP-MWLCHTKSSA-N 1 2 229.320 1.221 20 0 BDADLO Cc1nnc([C@H]([NH3+])[C@H](C)OCc2ccccc2)o1 ZINC001217731054 971372131 /nfs/dbraw/zinc/37/21/31/971372131.db2.gz GCHWHIXYWQEIQZ-JOYOIKCWSA-N 1 2 247.298 1.983 20 0 BDADLO C[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)CC(=O)N1 ZINC001204041614 971374346 /nfs/dbraw/zinc/37/43/46/971374346.db2.gz SSRCJXCMVOMCQR-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CC(=O)N1 ZINC001204041614 971374361 /nfs/dbraw/zinc/37/43/61/971374361.db2.gz SSRCJXCMVOMCQR-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO CCOC(=[NH2+])CCCCO[C@@H]1COC[C@H]1F ZINC001224963294 974103312 /nfs/dbraw/zinc/10/33/12/974103312.db2.gz MDCFIWFXRPOIHJ-NXEZZACHSA-N 1 2 233.283 1.924 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2nnc(C3CCCC3)o2)C1 ZINC001257561199 971451588 /nfs/dbraw/zinc/45/15/88/971451588.db2.gz YCFKGJZGMRMXGG-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2nnc(C3CCCC3)o2)C1 ZINC001257561199 971451592 /nfs/dbraw/zinc/45/15/92/971451592.db2.gz YCFKGJZGMRMXGG-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO Cc1nccc(C(=O)Nc2c(C)c[nH+]cc2C)n1 ZINC001133456949 971541473 /nfs/dbraw/zinc/54/14/73/971541473.db2.gz XQKLEGFCBNFLPJ-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1ccc(-c2nnc([C@H]3C[N@H+](C)CCO3)o2)o1 ZINC001257993398 971547886 /nfs/dbraw/zinc/54/78/86/971547886.db2.gz HWHHTDMVZRNTES-SNVBAGLBSA-N 1 2 249.270 1.641 20 0 BDADLO Cc1ccc(-c2nnc([C@H]3C[N@@H+](C)CCO3)o2)o1 ZINC001257993398 971547897 /nfs/dbraw/zinc/54/78/97/971547897.db2.gz HWHHTDMVZRNTES-SNVBAGLBSA-N 1 2 249.270 1.641 20 0 BDADLO Nc1cccc(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218005138 971569038 /nfs/dbraw/zinc/56/90/38/971569038.db2.gz CKSASSAOWYPSRD-JTQLQIEISA-N 1 2 228.242 1.645 20 0 BDADLO Nc1cccc(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218005145 971569068 /nfs/dbraw/zinc/56/90/68/971569068.db2.gz CKSASSAOWYPSRD-SNVBAGLBSA-N 1 2 228.242 1.645 20 0 BDADLO OCc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218012224 971571039 /nfs/dbraw/zinc/57/10/39/971571039.db2.gz IHGBVBMNRZDGSO-LLVKDONJSA-N 1 2 243.253 1.555 20 0 BDADLO C[N@H+](CC(F)F)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172031346 974296627 /nfs/dbraw/zinc/29/66/27/974296627.db2.gz WWOUQAIYUUHEDG-VIFPVBQESA-N 1 2 232.274 1.337 20 0 BDADLO C[N@@H+](CC(F)F)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172031346 974296641 /nfs/dbraw/zinc/29/66/41/974296641.db2.gz WWOUQAIYUUHEDG-VIFPVBQESA-N 1 2 232.274 1.337 20 0 BDADLO CCOC(=O)C[C@@H](C)Oc1cc[nH+]cc1 ZINC001225290873 974359090 /nfs/dbraw/zinc/35/90/90/974359090.db2.gz KZWPDMGVGHITHP-SECBINFHSA-N 1 2 209.245 1.802 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)[nH]n1 ZINC001330701057 974429547 /nfs/dbraw/zinc/42/95/47/974429547.db2.gz BSDAGNNRCVFSNF-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)[nH]n1 ZINC001330701057 974429558 /nfs/dbraw/zinc/42/95/58/974429558.db2.gz BSDAGNNRCVFSNF-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO COc1cc(-c2ccc[nH+]c2N)ccc1N ZINC001245499950 971835887 /nfs/dbraw/zinc/83/58/87/971835887.db2.gz AHGQMSXIYYCYNK-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO CC1(C)C[C@H](N2CC[NH2+]CC(F)(F)C2)CO1 ZINC001172282866 974542216 /nfs/dbraw/zinc/54/22/16/974542216.db2.gz FXFAVHCGYZMCDF-VIFPVBQESA-N 1 2 234.290 1.094 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCCOCC1 ZINC001170810176 971875083 /nfs/dbraw/zinc/87/50/83/971875083.db2.gz XVBGZZUWRZAKRC-DCAQKATOSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCCOCC1 ZINC001170810176 971875087 /nfs/dbraw/zinc/87/50/87/971875087.db2.gz XVBGZZUWRZAKRC-DCAQKATOSA-N 1 2 245.294 1.141 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1cccc(O)c1 ZINC001135389242 971885828 /nfs/dbraw/zinc/88/58/28/971885828.db2.gz PGHBJDMTLIYKBE-UHFFFAOYSA-N 1 2 245.282 1.697 20 0 BDADLO CCOC(=O)C[N@H+](CC)[C@H]1COC(C)(C)C1 ZINC001172294457 974559141 /nfs/dbraw/zinc/55/91/41/974559141.db2.gz ZGRXDBLNEGXZSS-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](CC)[C@H]1COC(C)(C)C1 ZINC001172294457 974559149 /nfs/dbraw/zinc/55/91/49/974559149.db2.gz ZGRXDBLNEGXZSS-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CNc1nccc(C[N@H+](C)Cc2cccnc2)n1 ZINC000310645975 971978633 /nfs/dbraw/zinc/97/86/33/971978633.db2.gz WERQHCNGTWPBNV-UHFFFAOYSA-N 1 2 243.314 1.545 20 0 BDADLO CNc1nccc(C[N@@H+](C)Cc2cccnc2)n1 ZINC000310645975 971978636 /nfs/dbraw/zinc/97/86/36/971978636.db2.gz WERQHCNGTWPBNV-UHFFFAOYSA-N 1 2 243.314 1.545 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@]12CCOC2 ZINC001331109283 974606296 /nfs/dbraw/zinc/60/62/96/974606296.db2.gz JYVBQMYWKBNCLP-LLVKDONJSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@]12CCOC2 ZINC001331109283 974606302 /nfs/dbraw/zinc/60/63/02/974606302.db2.gz JYVBQMYWKBNCLP-LLVKDONJSA-N 1 2 208.261 1.348 20 0 BDADLO C=C=CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001219556780 972027002 /nfs/dbraw/zinc/02/70/02/972027002.db2.gz FIZVPCOUUABQIX-UHFFFAOYSA-N 1 2 228.255 1.797 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NCc1nc(C)cs1 ZINC001136133603 972050458 /nfs/dbraw/zinc/05/04/58/972050458.db2.gz KPVUWSCKTKVKOV-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NCc1nc(C)cs1 ZINC001136133603 972050469 /nfs/dbraw/zinc/05/04/69/972050469.db2.gz KPVUWSCKTKVKOV-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)co1 ZINC000191946443 972116719 /nfs/dbraw/zinc/11/67/19/972116719.db2.gz BKIHUNRDMFXDCM-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO c1nc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)co1 ZINC000191946443 972116720 /nfs/dbraw/zinc/11/67/20/972116720.db2.gz BKIHUNRDMFXDCM-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO CC(C)(C)CC(C)(C)NC(=O)C1(F)C[NH2+]C1 ZINC001220286869 972204823 /nfs/dbraw/zinc/20/48/23/972204823.db2.gz SERWHSDNFOBCQC-UHFFFAOYSA-N 1 2 230.327 1.629 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ccc(C)nn1 ZINC000396564927 956985481 /nfs/dbraw/zinc/98/54/81/956985481.db2.gz JNIVGIKDSKPADX-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO C[N@H+](Cc1ccc(CO)o1)Cc1ccncn1 ZINC000396566696 956989656 /nfs/dbraw/zinc/98/96/56/956989656.db2.gz JYBAGAHYHZTDLN-UHFFFAOYSA-N 1 2 233.271 1.194 20 0 BDADLO C[N@@H+](Cc1ccc(CO)o1)Cc1ccncn1 ZINC000396566696 956989674 /nfs/dbraw/zinc/98/96/74/956989674.db2.gz JYBAGAHYHZTDLN-UHFFFAOYSA-N 1 2 233.271 1.194 20 0 BDADLO Cc1noc(C)c1C[NH2+][C@H](C)c1ccn(C)n1 ZINC001171018438 972246084 /nfs/dbraw/zinc/24/60/84/972246084.db2.gz NUYXKSLQTIHJNS-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO CCC(C)(CC)C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001266359096 957362434 /nfs/dbraw/zinc/36/24/34/957362434.db2.gz NMDKIRRHPXHKEJ-NSHDSACASA-N 1 2 244.354 1.973 20 0 BDADLO CCC(C)(CC)C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001266359096 957362445 /nfs/dbraw/zinc/36/24/45/957362445.db2.gz NMDKIRRHPXHKEJ-NSHDSACASA-N 1 2 244.354 1.973 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001209553850 957502020 /nfs/dbraw/zinc/50/20/20/957502020.db2.gz CVEQOVDIEWPXIJ-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001209553850 957502026 /nfs/dbraw/zinc/50/20/26/957502026.db2.gz CVEQOVDIEWPXIJ-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)[nH]1 ZINC001209570485 957509287 /nfs/dbraw/zinc/50/92/87/957509287.db2.gz OYKSEDZLACWGKS-LLVKDONJSA-N 1 2 224.279 1.826 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)[nH]1 ZINC001209570485 957509291 /nfs/dbraw/zinc/50/92/91/957509291.db2.gz OYKSEDZLACWGKS-LLVKDONJSA-N 1 2 224.279 1.826 20 0 BDADLO COc1cc[nH+]cc1N[C@H]1CCC(=O)N(C)C1 ZINC001167242291 957575923 /nfs/dbraw/zinc/57/59/23/957575923.db2.gz HCTBSNNLJCVBLG-VIFPVBQESA-N 1 2 235.287 1.123 20 0 BDADLO COc1cc[nH+]cc1N[C@@H]1CCC(=O)N(C)C1 ZINC001167242290 957576445 /nfs/dbraw/zinc/57/64/45/957576445.db2.gz HCTBSNNLJCVBLG-SECBINFHSA-N 1 2 235.287 1.123 20 0 BDADLO CSc1cc(NCc2cncnc2)nc(C)[nH+]1 ZINC001167256193 957592534 /nfs/dbraw/zinc/59/25/34/957592534.db2.gz IMFUQVNHZXIHIG-UHFFFAOYSA-N 1 2 247.327 1.909 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cnc(C)cc2C)no1 ZINC000397416075 957623088 /nfs/dbraw/zinc/62/30/88/957623088.db2.gz ZCPVDEVFNXVJAW-JTQLQIEISA-N 1 2 248.286 1.395 20 0 BDADLO CC[C@@H](C)[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210208315 957673312 /nfs/dbraw/zinc/67/33/12/957673312.db2.gz ROJYAGURYBFEMZ-VXGBXAGGSA-N 1 2 215.337 1.770 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCc3ccc(O)cc32)n1 ZINC000690702056 957690390 /nfs/dbraw/zinc/69/03/90/957690390.db2.gz IFIXEFRBGKMKCJ-CYBMUJFWSA-N 1 2 244.298 1.298 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC001136871312 972288085 /nfs/dbraw/zinc/28/80/85/972288085.db2.gz ARSOPNHGDHRTBI-MRVPVSSYSA-N 1 2 215.247 1.887 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC001136871312 972288088 /nfs/dbraw/zinc/28/80/88/972288088.db2.gz ARSOPNHGDHRTBI-MRVPVSSYSA-N 1 2 215.247 1.887 20 0 BDADLO O=C1CC(Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC001167336208 957792266 /nfs/dbraw/zinc/79/22/66/957792266.db2.gz SIXOEOLVPJZCRX-UHFFFAOYSA-N 1 2 247.298 1.062 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](C)CSCC ZINC000706398894 957812853 /nfs/dbraw/zinc/81/28/53/957812853.db2.gz FQLXOIVTFHRUAQ-VIFPVBQESA-N 1 2 219.350 1.623 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H](C)CSCC ZINC000706398894 957812854 /nfs/dbraw/zinc/81/28/54/957812854.db2.gz FQLXOIVTFHRUAQ-VIFPVBQESA-N 1 2 219.350 1.623 20 0 BDADLO Cc1cccn2c(CN3CCCO3)c[nH+]c12 ZINC001136958338 972304879 /nfs/dbraw/zinc/30/48/79/972304879.db2.gz NSXLCOXQQLGHLF-UHFFFAOYSA-N 1 2 217.272 1.780 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cncc(Cl)c2)CC[C@@H]1F ZINC001136989781 972313879 /nfs/dbraw/zinc/31/38/79/972313879.db2.gz SBXOGVCFBBSAGN-WDEREUQCSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@@H]1F ZINC001136989781 972313884 /nfs/dbraw/zinc/31/38/84/972313884.db2.gz SBXOGVCFBBSAGN-WDEREUQCSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1c[nH+]c(Nc2cncc(CO)c2)c(N)c1 ZINC001211103465 958031107 /nfs/dbraw/zinc/03/11/07/958031107.db2.gz UZBYCNWHPILJHX-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO CNc1cc(N[C@H]2CCCOC2)nc[nH+]1 ZINC000087829973 958051191 /nfs/dbraw/zinc/05/11/91/958051191.db2.gz NXGNKZCGRGKSGM-QMMMGPOBSA-N 1 2 208.265 1.109 20 0 BDADLO CNc1cc(N[C@H]2CCCOC2)[nH+]cn1 ZINC000087829973 958051204 /nfs/dbraw/zinc/05/12/04/958051204.db2.gz NXGNKZCGRGKSGM-QMMMGPOBSA-N 1 2 208.265 1.109 20 0 BDADLO COc1ncc(C[N@H+](C2CC2)C2COC2)cc1C ZINC001137006167 972321878 /nfs/dbraw/zinc/32/18/78/972321878.db2.gz GQWQVDIDVCCIBI-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO COc1ncc(C[N@@H+](C2CC2)C2COC2)cc1C ZINC001137006167 972321884 /nfs/dbraw/zinc/32/18/84/972321884.db2.gz GQWQVDIDVCCIBI-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO C[C@@H](C(=O)N1CC[C@H]1C(F)(F)F)n1cc[nH+]c1 ZINC001347784513 958138530 /nfs/dbraw/zinc/13/85/30/958138530.db2.gz JJLXOWCMPRILAL-YUMQZZPRSA-N 1 2 247.220 1.607 20 0 BDADLO COc1ncc(C[N@@H+]2CCC[C@H]2C(C)=O)cc1C ZINC001137010353 972325490 /nfs/dbraw/zinc/32/54/90/972325490.db2.gz ONAAUDCKXOOGHQ-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO COc1ncc(C[N@H+]2CCC[C@H]2C(C)=O)cc1C ZINC001137010353 972325493 /nfs/dbraw/zinc/32/54/93/972325493.db2.gz ONAAUDCKXOOGHQ-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccncn2)C[C@H]1F ZINC001140346953 958258298 /nfs/dbraw/zinc/25/82/98/958258298.db2.gz STHJNOMNAUKOOY-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccncn2)C[C@H]1F ZINC001140346953 958258306 /nfs/dbraw/zinc/25/83/06/958258306.db2.gz STHJNOMNAUKOOY-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO Cc1nccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001207163682 958272431 /nfs/dbraw/zinc/27/24/31/958272431.db2.gz MOCFOFKUUPUNFW-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001207163682 958272444 /nfs/dbraw/zinc/27/24/44/958272444.db2.gz MOCFOFKUUPUNFW-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO COc1ccc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001137037870 972337365 /nfs/dbraw/zinc/33/73/65/972337365.db2.gz DKIDEYUQJMCDSP-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001137037870 972337367 /nfs/dbraw/zinc/33/73/67/972337367.db2.gz DKIDEYUQJMCDSP-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccncn2)cn1 ZINC001137039793 972339873 /nfs/dbraw/zinc/33/98/73/972339873.db2.gz NMKPTLURYLFQPQ-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccncn2)cn1 ZINC001137039793 972339876 /nfs/dbraw/zinc/33/98/76/972339876.db2.gz NMKPTLURYLFQPQ-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CCN(CCO)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000891426103 958355946 /nfs/dbraw/zinc/35/59/46/958355946.db2.gz JLFAIPDZENBPKX-UHFFFAOYSA-N 1 2 235.331 1.871 20 0 BDADLO c1nc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)cc2[nH]1 ZINC001137046921 972343223 /nfs/dbraw/zinc/34/32/23/972343223.db2.gz SGPUMDNNUSOKLL-QWRGUYRKSA-N 1 2 229.283 1.536 20 0 BDADLO c1nc2ccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)cc2[nH]1 ZINC001137046921 972343230 /nfs/dbraw/zinc/34/32/30/972343230.db2.gz SGPUMDNNUSOKLL-QWRGUYRKSA-N 1 2 229.283 1.536 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/[C@H]2CCCO2)o1 ZINC001327000969 972359102 /nfs/dbraw/zinc/35/91/02/972359102.db2.gz NUUZHETYNXBEGP-VUHVRTRXSA-N 1 2 223.276 1.323 20 0 BDADLO c1cn2c(n1)[C@@H](OCCn1cc[nH+]c1)CC2 ZINC001222128692 972369495 /nfs/dbraw/zinc/36/94/95/972369495.db2.gz CHAGXMDPVJINBO-JTQLQIEISA-N 1 2 218.260 1.241 20 0 BDADLO CCCOC(=O)[C@H](C)OCCn1cc[nH+]c1 ZINC001222135506 972371332 /nfs/dbraw/zinc/37/13/32/972371332.db2.gz ZBWRBMHZMCXVGH-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)C=C2CCC2)o1 ZINC001125561445 958746563 /nfs/dbraw/zinc/74/65/63/958746563.db2.gz BTWRLYZXACZQEC-UHFFFAOYSA-N 1 2 249.314 1.299 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)c1ncc(F)cn1 ZINC001171114547 972373564 /nfs/dbraw/zinc/37/35/64/972373564.db2.gz XBPXAZGWIDXILX-SSDOTTSWSA-N 1 2 236.225 1.745 20 0 BDADLO C[C@@H]1C[C@@H](OCCn2cc[nH+]c2)CCO1 ZINC001222139823 972389646 /nfs/dbraw/zinc/38/96/46/972389646.db2.gz XRKJBHDZFCCVNE-MNOVXSKESA-N 1 2 210.277 1.467 20 0 BDADLO Cc1cc(NCC(C)(C)C(N)=O)[nH+]c2cc[nH]c21 ZINC001167605494 959040382 /nfs/dbraw/zinc/04/03/82/959040382.db2.gz OKKWVAJDVSLLBF-UHFFFAOYSA-N 1 2 246.314 1.795 20 0 BDADLO COc1cc[nH+]cc1NCC(C)(C)C(N)=O ZINC001167607677 959047229 /nfs/dbraw/zinc/04/72/29/959047229.db2.gz XJLJNAXRXKJWHM-UHFFFAOYSA-N 1 2 223.276 1.014 20 0 BDADLO Nc1cc(CNc2ncnc3ccoc32)cc[nH+]1 ZINC001167611875 959059983 /nfs/dbraw/zinc/05/99/83/959059983.db2.gz COHFIEFYWCWZJK-UHFFFAOYSA-N 1 2 241.254 1.812 20 0 BDADLO COc1cnnc(NCc2cc[nH+]c(N)c2)c1 ZINC001167613021 959063498 /nfs/dbraw/zinc/06/34/98/959063498.db2.gz HNEXYHVQOGYUSL-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO CN(C)c1ncc(NCc2cc[nH+]c(N)c2)cn1 ZINC001167617279 959081166 /nfs/dbraw/zinc/08/11/66/959081166.db2.gz KEASTVYUTQWXTL-UHFFFAOYSA-N 1 2 244.302 1.132 20 0 BDADLO [NH3+][C@@H](CC(=O)NC1CCCCC1)C(F)F ZINC000724709377 959283820 /nfs/dbraw/zinc/28/38/20/959283820.db2.gz XFZIZRKIXBJLJX-QMMMGPOBSA-N 1 2 220.263 1.418 20 0 BDADLO C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C(C)(C)C ZINC000724727411 959311328 /nfs/dbraw/zinc/31/13/28/959311328.db2.gz LNNBFKFBXVDHRU-RQJHMYQMSA-N 1 2 222.279 1.520 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(C)(C)C ZINC000724727408 959311461 /nfs/dbraw/zinc/31/14/61/959311461.db2.gz LNNBFKFBXVDHRU-RNFRBKRXSA-N 1 2 222.279 1.520 20 0 BDADLO Cn1cnc2ccc(C[NH+]3CC(C)(O)C3)cc21 ZINC001140734197 959768044 /nfs/dbraw/zinc/76/80/44/959768044.db2.gz FCTCASUMNVFMRQ-UHFFFAOYSA-N 1 2 231.299 1.140 20 0 BDADLO Cc1cc(CNc2cc[nH+]cc2F)[nH]n1 ZINC000309246169 959814744 /nfs/dbraw/zinc/81/47/44/959814744.db2.gz ZFCGPYZBKAFAOM-UHFFFAOYSA-N 1 2 206.224 1.864 20 0 BDADLO COCC[N@H+](C)Cc1cccnc1Cl ZINC000052709414 959832231 /nfs/dbraw/zinc/83/22/31/959832231.db2.gz OEXVISYUBAJMLL-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO COCC[N@@H+](C)Cc1cccnc1Cl ZINC000052709414 959832236 /nfs/dbraw/zinc/83/22/36/959832236.db2.gz OEXVISYUBAJMLL-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO Nc1cccc(F)c1C[N@@H+]1CCCC12COC2 ZINC001140875554 960021342 /nfs/dbraw/zinc/02/13/42/960021342.db2.gz RWLMORIHHSIYCZ-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO Nc1cccc(F)c1C[N@H+]1CCCC12COC2 ZINC001140875554 960021350 /nfs/dbraw/zinc/02/13/50/960021350.db2.gz RWLMORIHHSIYCZ-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO CCCNC(=S)NCCCCn1cc[nH+]c1 ZINC000136138214 960128846 /nfs/dbraw/zinc/12/88/46/960128846.db2.gz QIACDRSVZBNEFB-UHFFFAOYSA-N 1 2 240.376 1.537 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000708939383 960140759 /nfs/dbraw/zinc/14/07/59/960140759.db2.gz DNJZKPHGLMZYQP-CYBMUJFWSA-N 1 2 249.358 1.980 20 0 BDADLO CNc1ncccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000708939383 960140769 /nfs/dbraw/zinc/14/07/69/960140769.db2.gz DNJZKPHGLMZYQP-CYBMUJFWSA-N 1 2 249.358 1.980 20 0 BDADLO CC/C=C\CC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001267635444 960150896 /nfs/dbraw/zinc/15/08/96/960150896.db2.gz CLMYAIWVLPQEMC-ARJAWSKDSA-N 1 2 232.274 1.408 20 0 BDADLO CCC[C@H](C)C(=O)NC1C[NH+](CCOCC)C1 ZINC001267640713 960159231 /nfs/dbraw/zinc/15/92/31/960159231.db2.gz MBRVEOSKDCBRPK-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1nc(C)cc(C)n1 ZINC000700507825 960163146 /nfs/dbraw/zinc/16/31/46/960163146.db2.gz SKSDQCOMYFMOEP-UHFFFAOYSA-N 1 2 237.303 1.088 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)CC2(C)CC2)C1 ZINC001267653821 960174773 /nfs/dbraw/zinc/17/47/73/960174773.db2.gz DMLXNBWNABBNOY-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000309947746 960305494 /nfs/dbraw/zinc/30/54/94/960305494.db2.gz DWZSAPFWETZAFC-KPPDAEKUSA-N 1 2 229.320 1.484 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+](C)C1COC1 ZINC001140593012 960449119 /nfs/dbraw/zinc/44/91/19/960449119.db2.gz MNGKVGBJXPKWIA-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO Cc1ccc(F)cc1C[N@H+](C)C1COC1 ZINC001140593012 960449125 /nfs/dbraw/zinc/44/91/25/960449125.db2.gz MNGKVGBJXPKWIA-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)NC[C@H]2C)cc(C)c1O ZINC001140658868 960480002 /nfs/dbraw/zinc/48/00/02/960480002.db2.gz AVODCCSYGLJDJL-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)NC[C@H]2C)cc(C)c1O ZINC001140658868 960480006 /nfs/dbraw/zinc/48/00/06/960480006.db2.gz AVODCCSYGLJDJL-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(C)c1 ZINC001140677770 960483985 /nfs/dbraw/zinc/48/39/85/960483985.db2.gz YTDZGVDSXXYAHM-UONOGXRCSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(C)c1 ZINC001140677770 960483995 /nfs/dbraw/zinc/48/39/95/960483995.db2.gz YTDZGVDSXXYAHM-UONOGXRCSA-N 1 2 233.311 1.977 20 0 BDADLO OCc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)o1 ZINC001140678648 960486318 /nfs/dbraw/zinc/48/63/18/960486318.db2.gz FWPQWBWIOWKNIS-KPXOXKRLSA-N 1 2 225.263 1.562 20 0 BDADLO OCc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)o1 ZINC001140678648 960486324 /nfs/dbraw/zinc/48/63/24/960486324.db2.gz FWPQWBWIOWKNIS-KPXOXKRLSA-N 1 2 225.263 1.562 20 0 BDADLO C[C@H]1CN(C2C[NH+](Cc3cc[nH]c3)C2)C[C@H](C)O1 ZINC001140710941 960529894 /nfs/dbraw/zinc/52/98/94/960529894.db2.gz ZDNAALVLLSPVAP-RYUDHWBXSA-N 1 2 249.358 1.308 20 0 BDADLO C[C@H]1C[NH+](C2CN(Cc3cc[nH]c3)C2)C[C@H](C)O1 ZINC001140710941 960529901 /nfs/dbraw/zinc/52/99/01/960529901.db2.gz ZDNAALVLLSPVAP-RYUDHWBXSA-N 1 2 249.358 1.308 20 0 BDADLO CC1(CO)C[NH+](Cc2cc(Cl)ccc2N)C1 ZINC001140716502 960530799 /nfs/dbraw/zinc/53/07/99/960530799.db2.gz QMITWZBHKJILKD-UHFFFAOYSA-N 1 2 240.734 1.736 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)n[nH]1 ZINC001203070108 960616779 /nfs/dbraw/zinc/61/67/79/960616779.db2.gz HMUFNLONDVXWRQ-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@](O)(CF)CC2)n[nH]1 ZINC001203070108 960616789 /nfs/dbraw/zinc/61/67/89/960616789.db2.gz HMUFNLONDVXWRQ-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC23COC3)c1C ZINC001140860428 960641124 /nfs/dbraw/zinc/64/11/24/960641124.db2.gz RYFKGDNMVZBRIW-UHFFFAOYSA-N 1 2 206.289 1.606 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC23COC3)c1C ZINC001140860428 960641129 /nfs/dbraw/zinc/64/11/29/960641129.db2.gz RYFKGDNMVZBRIW-UHFFFAOYSA-N 1 2 206.289 1.606 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@@H](O)C2)c(F)c1F ZINC001140889854 960669379 /nfs/dbraw/zinc/66/93/79/960669379.db2.gz NAZZGCMMQRXBMS-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(F)c1F ZINC001140889854 960669388 /nfs/dbraw/zinc/66/93/88/960669388.db2.gz NAZZGCMMQRXBMS-MRVPVSSYSA-N 1 2 229.226 1.237 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCc2occc2C1 ZINC001140938325 960728561 /nfs/dbraw/zinc/72/85/61/960728561.db2.gz LAQKAIVWZHAUBR-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1nccnc1C[N@H+]1CCc2occc2C1 ZINC001140938325 960728571 /nfs/dbraw/zinc/72/85/71/960728571.db2.gz LAQKAIVWZHAUBR-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO O=C1CCC[C@]2(CCC[N@H+](Cc3ncco3)C2)N1 ZINC001141008153 960809147 /nfs/dbraw/zinc/80/91/47/960809147.db2.gz PADASUQJSKMBCZ-CYBMUJFWSA-N 1 2 249.314 1.309 20 0 BDADLO O=C1CCC[C@]2(CCC[N@@H+](Cc3ncco3)C2)N1 ZINC001141008153 960809148 /nfs/dbraw/zinc/80/91/48/960809148.db2.gz PADASUQJSKMBCZ-CYBMUJFWSA-N 1 2 249.314 1.309 20 0 BDADLO FC(F)(F)c1n[nH]cc1C[N@@H+]1CCCOCC1 ZINC001141011897 960818554 /nfs/dbraw/zinc/81/85/54/960818554.db2.gz PNRLRNDRSRXACG-UHFFFAOYSA-N 1 2 249.236 1.651 20 0 BDADLO FC(F)(F)c1n[nH]cc1C[N@H+]1CCCOCC1 ZINC001141011897 960818560 /nfs/dbraw/zinc/81/85/60/960818560.db2.gz PNRLRNDRSRXACG-UHFFFAOYSA-N 1 2 249.236 1.651 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn3ccnc3c2)CCO1 ZINC001141047010 960832179 /nfs/dbraw/zinc/83/21/79/960832179.db2.gz CSWLHNQBJBVBSY-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn3ccnc3c2)CCO1 ZINC001141047010 960832188 /nfs/dbraw/zinc/83/21/88/960832188.db2.gz CSWLHNQBJBVBSY-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1CN(Cc2ccn3cc[nH+]c3c2)CCO1 ZINC001141047010 960832189 /nfs/dbraw/zinc/83/21/89/960832189.db2.gz CSWLHNQBJBVBSY-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1ccn2ccnc2c1 ZINC001141049550 960839201 /nfs/dbraw/zinc/83/92/01/960839201.db2.gz JJSFRMUPBXMSKZ-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1ccn2ccnc2c1 ZINC001141049550 960839198 /nfs/dbraw/zinc/83/91/98/960839198.db2.gz JJSFRMUPBXMSKZ-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO CCCCc1nc(C[N@@H+]2CC[C@@H](O)C2)c[nH]1 ZINC001141067229 960853583 /nfs/dbraw/zinc/85/35/83/960853583.db2.gz WYMVBWQCNKILRQ-LLVKDONJSA-N 1 2 223.320 1.319 20 0 BDADLO CCCCc1nc(C[N@H+]2CC[C@@H](O)C2)c[nH]1 ZINC001141067229 960853594 /nfs/dbraw/zinc/85/35/94/960853594.db2.gz WYMVBWQCNKILRQ-LLVKDONJSA-N 1 2 223.320 1.319 20 0 BDADLO CCCCc1ncc(C[N@@H+]2CC[C@@H](O)C2)[nH]1 ZINC001141067229 960853604 /nfs/dbraw/zinc/85/36/04/960853604.db2.gz WYMVBWQCNKILRQ-LLVKDONJSA-N 1 2 223.320 1.319 20 0 BDADLO CCCCc1ncc(C[N@H+]2CC[C@@H](O)C2)[nH]1 ZINC001141067229 960853605 /nfs/dbraw/zinc/85/36/05/960853605.db2.gz WYMVBWQCNKILRQ-LLVKDONJSA-N 1 2 223.320 1.319 20 0 BDADLO COC(=O)C1(C)CC[NH+](Cc2cocn2)CC1 ZINC001141130005 960883194 /nfs/dbraw/zinc/88/31/94/960883194.db2.gz PZQFWMLIUAGDTA-UHFFFAOYSA-N 1 2 238.287 1.450 20 0 BDADLO Cc1nc(N)ccc1CNc1cc[nH+]c(C)c1F ZINC001167786420 960887064 /nfs/dbraw/zinc/88/70/64/960887064.db2.gz GJMAVTCRHIKGGF-UHFFFAOYSA-N 1 2 246.289 1.849 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001203103054 960915482 /nfs/dbraw/zinc/91/54/82/960915482.db2.gz ODWVEBCYZVWHBE-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001203103054 960915521 /nfs/dbraw/zinc/91/55/21/960915521.db2.gz ODWVEBCYZVWHBE-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC001141191366 960917732 /nfs/dbraw/zinc/91/77/32/960917732.db2.gz KFISMVSWQITJKD-LBPRGKRZSA-N 1 2 236.290 1.584 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC001141191366 960917768 /nfs/dbraw/zinc/91/77/68/960917768.db2.gz KFISMVSWQITJKD-LBPRGKRZSA-N 1 2 236.290 1.584 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cccc(N(C)C)c1 ZINC001141268530 961030109 /nfs/dbraw/zinc/03/01/09/961030109.db2.gz QLNCTJWYPNXYKV-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cccc(N(C)C)c1 ZINC001141268530 961030132 /nfs/dbraw/zinc/03/01/32/961030132.db2.gz QLNCTJWYPNXYKV-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C=C/C=C/CC(=O)NCCn1cc[nH+]c1 ZINC001141601030 961119779 /nfs/dbraw/zinc/11/97/79/961119779.db2.gz BJNJLOQQNQDKER-ONEGZZNKSA-N 1 2 205.261 1.132 20 0 BDADLO CC(C)OCC[NH+]1CC(NC(=O)C2CCC2)C1 ZINC001481540075 961139461 /nfs/dbraw/zinc/13/94/61/961139461.db2.gz MNRMAASEAZLJKP-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnc(C)nc1)C2 ZINC001203116517 961212345 /nfs/dbraw/zinc/21/23/45/961212345.db2.gz GOZZAUPTWVYXES-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnc(C)nc1)C2 ZINC001203116517 961212360 /nfs/dbraw/zinc/21/23/60/961212360.db2.gz GOZZAUPTWVYXES-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc3cccnc3c2)CCO1 ZINC001139738448 961378886 /nfs/dbraw/zinc/37/88/86/961378886.db2.gz OUNFYRUWFICGIB-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc3cccnc3c2)CCO1 ZINC001139738448 961378908 /nfs/dbraw/zinc/37/89/08/961378908.db2.gz OUNFYRUWFICGIB-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C/c2ccoc2)c1 ZINC001142265278 961388069 /nfs/dbraw/zinc/38/80/69/961388069.db2.gz HXXSWSLOLSZULC-NSCUHMNNSA-N 1 2 245.282 1.385 20 0 BDADLO COC[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001142503865 961454709 /nfs/dbraw/zinc/45/47/09/961454709.db2.gz HPFMHPIRFZSSEJ-JTQLQIEISA-N 1 2 247.298 1.347 20 0 BDADLO CCOC(=O)C(F)(F)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167898320 961532756 /nfs/dbraw/zinc/53/27/56/961532756.db2.gz RNOJCRLFDMLKOW-AYMMMOKOSA-N 1 2 233.258 1.573 20 0 BDADLO O=C(Nc1cccnc1F)[C@H]1CC2CC[NH+]1CC2 ZINC001142626953 961538813 /nfs/dbraw/zinc/53/88/13/961538813.db2.gz ZPYZZYPKEATERZ-LLVKDONJSA-N 1 2 249.289 1.644 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cccc2nc[nH]c21 ZINC001142687207 961625162 /nfs/dbraw/zinc/62/51/62/961625162.db2.gz PFSORVKZQAOHEZ-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc2nc[nH]c21 ZINC001142687207 961625175 /nfs/dbraw/zinc/62/51/75/961625175.db2.gz PFSORVKZQAOHEZ-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCn2nccc2C1 ZINC001139849216 961777036 /nfs/dbraw/zinc/77/70/36/961777036.db2.gz AIKXRMFYYBPQSG-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cnccc1C[N@H+]1CCn2nccc2C1 ZINC001139849216 961777053 /nfs/dbraw/zinc/77/70/53/961777053.db2.gz AIKXRMFYYBPQSG-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO COc1ccc(Nc2[nH+]cccc2N)c(CO)c1 ZINC001211735418 961824091 /nfs/dbraw/zinc/82/40/91/961824091.db2.gz QKGODNMCMFRKNM-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO c1cn2cccc(CN3CCCO3)c2[nH+]1 ZINC001142943971 961843486 /nfs/dbraw/zinc/84/34/86/961843486.db2.gz FBPJFVIIWBDLFT-UHFFFAOYSA-N 1 2 203.245 1.472 20 0 BDADLO CC1(F)CN(Cc2cccn3cc[nH+]c23)C1 ZINC001142944536 961844617 /nfs/dbraw/zinc/84/46/17/961844617.db2.gz OMXJNEAKRWVUBL-UHFFFAOYSA-N 1 2 219.263 1.878 20 0 BDADLO c1cn2cccc(CN3CCCCO3)c2[nH+]1 ZINC001142943696 961846028 /nfs/dbraw/zinc/84/60/28/961846028.db2.gz BVLGZNIECKFQJE-UHFFFAOYSA-N 1 2 217.272 1.862 20 0 BDADLO COC1CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143018799 961864938 /nfs/dbraw/zinc/86/49/38/961864938.db2.gz NVGPOWOGMSHLNL-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc2cccnc2[nH]1 ZINC001143211395 961947946 /nfs/dbraw/zinc/94/79/46/961947946.db2.gz BENUOLSILJRTJN-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc2cccnc2[nH]1 ZINC001143211395 961947962 /nfs/dbraw/zinc/94/79/62/961947962.db2.gz BENUOLSILJRTJN-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]C(C)(C)C(F)F)[C@H]1OC ZINC000894148942 961968930 /nfs/dbraw/zinc/96/89/30/961968930.db2.gz RQXYTYGUWOIDGM-IWSPIJDZSA-N 1 2 237.290 1.812 20 0 BDADLO c1cc2nonc2c(C[N@@H+]2CCC23COC3)c1 ZINC001203136159 961980779 /nfs/dbraw/zinc/98/07/79/961980779.db2.gz IYKPNEUZTADLJZ-UHFFFAOYSA-N 1 2 231.255 1.198 20 0 BDADLO c1cc2nonc2c(C[N@H+]2CCC23COC3)c1 ZINC001203136159 961980792 /nfs/dbraw/zinc/98/07/92/961980792.db2.gz IYKPNEUZTADLJZ-UHFFFAOYSA-N 1 2 231.255 1.198 20 0 BDADLO CC(C)[NH+]1CC(Oc2cnc(Cl)nc2)C1 ZINC001225375399 962113229 /nfs/dbraw/zinc/11/32/29/962113229.db2.gz MLUQTSJUWHTLQZ-UHFFFAOYSA-N 1 2 227.695 1.601 20 0 BDADLO c1ccc(C[NH+]2CC(Oc3ccncn3)C2)cc1 ZINC001225587498 962343487 /nfs/dbraw/zinc/34/34/87/962343487.db2.gz LBBQPEJMXJVIDG-UHFFFAOYSA-N 1 2 241.294 1.740 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1C(C)C ZINC001152492830 962433595 /nfs/dbraw/zinc/43/35/95/962433595.db2.gz SGTFTKJSJYTQJE-LLVKDONJSA-N 1 2 221.304 1.518 20 0 BDADLO Cc1ccc(N[C@H](C)CC(N)=O)c(C)[nH+]1 ZINC000134339298 962770256 /nfs/dbraw/zinc/77/02/56/962770256.db2.gz XWTXGWZHOUJOFR-MRVPVSSYSA-N 1 2 207.277 1.374 20 0 BDADLO CC/C(C)=C/C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001269780538 962791428 /nfs/dbraw/zinc/79/14/28/962791428.db2.gz INNAOTRCYMNSEF-DHZHZOJOSA-N 1 2 240.347 1.132 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCO[C@H]1C1CC1)n1cc[nH+]c1 ZINC001154523200 962795613 /nfs/dbraw/zinc/79/56/13/962795613.db2.gz DJYPXZIVKYLLQG-JLLWLGSASA-N 1 2 249.314 1.128 20 0 BDADLO O=C(N[C@H]1C[C@@H]1C1CC1)c1cccc2[nH+]ccn21 ZINC001154528016 962796461 /nfs/dbraw/zinc/79/64/61/962796461.db2.gz MUECFWXFRKZKGQ-MNOVXSKESA-N 1 2 241.294 1.863 20 0 BDADLO Cn1ccnc1CNc1ccc(Cl)c(N)[nH+]1 ZINC001154615721 962810567 /nfs/dbraw/zinc/81/05/67/962810567.db2.gz DZRCGLSHLZKQCJ-UHFFFAOYSA-N 1 2 237.694 1.663 20 0 BDADLO Cc1nc(NCc2ncon2)c2c([nH+]1)CCC2 ZINC001154896591 962888275 /nfs/dbraw/zinc/88/82/75/962888275.db2.gz NEKNLZBMIZIWRL-UHFFFAOYSA-N 1 2 231.259 1.269 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)[C@H](C)CO1 ZINC001155414259 963074220 /nfs/dbraw/zinc/07/42/20/963074220.db2.gz KEKDJHGLTTVRFC-NXEZZACHSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)[C@H](C)CO1 ZINC001155414259 963074232 /nfs/dbraw/zinc/07/42/32/963074232.db2.gz KEKDJHGLTTVRFC-NXEZZACHSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@@H]1CN(c2ccc(Cl)c(N)[nH+]2)[C@H](C)CO1 ZINC001155431691 963079813 /nfs/dbraw/zinc/07/98/13/963079813.db2.gz SOPNHSSZHSIDKJ-HTQZYQBOSA-N 1 2 241.722 1.931 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCOCC12CC2 ZINC001155840031 963183895 /nfs/dbraw/zinc/18/38/95/963183895.db2.gz ADGYKOLGLCQFMH-UHFFFAOYSA-N 1 2 234.299 1.768 20 0 BDADLO c1cn(CCCNc2ccnc3nc[nH]c32)c[nH+]1 ZINC001161684874 963201912 /nfs/dbraw/zinc/20/19/12/963201912.db2.gz UQROTTISQZNQKR-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO [NH3+]CC[N@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000307611548 963220168 /nfs/dbraw/zinc/22/01/68/963220168.db2.gz GNGRKNSZRUEZIT-UHFFFAOYSA-N 1 2 236.315 1.312 20 0 BDADLO [NH3+]CC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000307611548 963220172 /nfs/dbraw/zinc/22/01/72/963220172.db2.gz GNGRKNSZRUEZIT-UHFFFAOYSA-N 1 2 236.315 1.312 20 0 BDADLO C[NH+](C)CC(C)(C)[NH2+]CCC(C)(C)C(=O)[O-] ZINC000308573248 963287530 /nfs/dbraw/zinc/28/75/30/963287530.db2.gz QWZBTGUGMBKHGP-UHFFFAOYSA-N 1 2 230.352 1.417 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H]2CCCCO2)c1C(N)=O ZINC001156371844 963325164 /nfs/dbraw/zinc/32/51/64/963325164.db2.gz KZFGOAJPZCFPFH-JTQLQIEISA-N 1 2 249.314 1.470 20 0 BDADLO CCc1[nH]c(CNC(=O)Cc2ccncc2)c[nH+]1 ZINC001156538651 963381832 /nfs/dbraw/zinc/38/18/32/963381832.db2.gz ZPVSKNUOEWQWBY-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO CCc1[nH]cc(CNC(=O)Cc2ccncc2)[nH+]1 ZINC001156538651 963381838 /nfs/dbraw/zinc/38/18/38/963381838.db2.gz ZPVSKNUOEWQWBY-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO COc1c[nH+]c(NCc2cccnn2)c(C)c1 ZINC001156605494 963404898 /nfs/dbraw/zinc/40/48/98/963404898.db2.gz SIPFPMWFRGPDSK-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2cnnn2C)on1 ZINC000925129498 963441133 /nfs/dbraw/zinc/44/11/33/963441133.db2.gz OXBRQUKDGLVBHB-MRVPVSSYSA-N 1 2 235.291 1.216 20 0 BDADLO Cc1cc(C)nc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756039 963453340 /nfs/dbraw/zinc/45/33/40/963453340.db2.gz PDDAVFVOAJWYGY-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO CCOc1cc(NCc2cc[nH+]c(N)c2)ncn1 ZINC001156761355 963453564 /nfs/dbraw/zinc/45/35/64/963453564.db2.gz SKUACJWEVCAXMR-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO Nc1cc(CNc2ncc(Cl)cn2)cc[nH+]1 ZINC001156756456 963454542 /nfs/dbraw/zinc/45/45/42/963454542.db2.gz YKIBVIQEQHIATD-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO CCOc1cncc(NCc2cc[nH+]c(N)c2)n1 ZINC001156755711 963455436 /nfs/dbraw/zinc/45/54/36/963455436.db2.gz JGMKDBXPSWOLOA-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO O[C@@]1(C2CC2)CCN(c2nccn3c[nH+]cc23)C1 ZINC001355281201 963509502 /nfs/dbraw/zinc/50/95/02/963509502.db2.gz WAAARVQYTMWQRR-ZDUSSCGKSA-N 1 2 244.298 1.081 20 0 BDADLO CNc1ncccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052709834 963517493 /nfs/dbraw/zinc/51/74/93/963517493.db2.gz DMCUIQHZTBVRDS-QWRGUYRKSA-N 1 2 235.331 1.733 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)CC2CC2)[nH+]1 ZINC001157118720 963537079 /nfs/dbraw/zinc/53/70/79/963537079.db2.gz FJXGTXGFPKJECV-UHFFFAOYSA-N 1 2 221.304 1.949 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)CC2CC2)c[nH+]1 ZINC001157118720 963537089 /nfs/dbraw/zinc/53/70/89/963537089.db2.gz FJXGTXGFPKJECV-UHFFFAOYSA-N 1 2 221.304 1.949 20 0 BDADLO C[C@]1([NH3+])CC[N@H+](Cc2sccc2C(=O)[O-])C1 ZINC001204790554 963577690 /nfs/dbraw/zinc/57/76/90/963577690.db2.gz KNPHBAWFFKCQMJ-NSHDSACASA-N 1 2 240.328 1.369 20 0 BDADLO C[C@]1([NH3+])CC[N@@H+](Cc2sccc2C(=O)[O-])C1 ZINC001204790554 963577704 /nfs/dbraw/zinc/57/77/04/963577704.db2.gz KNPHBAWFFKCQMJ-NSHDSACASA-N 1 2 240.328 1.369 20 0 BDADLO CC(C)[NH+]1CC(Nc2nnc(Cl)cc2F)C1 ZINC001157532097 963638382 /nfs/dbraw/zinc/63/83/82/963638382.db2.gz RKZILSZVDKLNDK-UHFFFAOYSA-N 1 2 244.701 1.774 20 0 BDADLO Cc1cc([NH+]=c2nc[nH]n2C)cc(C)c1O ZINC001211904354 963746575 /nfs/dbraw/zinc/74/65/75/963746575.db2.gz SPQFBFDEOGVOKD-UHFFFAOYSA-N 1 2 218.260 1.303 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@@H]1CC(=O)N(C)C1 ZINC001157908982 963761714 /nfs/dbraw/zinc/76/17/14/963761714.db2.gz KDSBTEMBTIKYIE-JTQLQIEISA-N 1 2 249.314 1.289 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088436129 963773145 /nfs/dbraw/zinc/77/31/45/963773145.db2.gz AHSKSLNOKSAZQE-KOLCDFICSA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088436129 963773148 /nfs/dbraw/zinc/77/31/48/963773148.db2.gz AHSKSLNOKSAZQE-KOLCDFICSA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001482574213 963808876 /nfs/dbraw/zinc/80/88/76/963808876.db2.gz XFQZGHDKWQJBSV-JTQLQIEISA-N 1 2 239.319 1.454 20 0 BDADLO CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001482574213 963808880 /nfs/dbraw/zinc/80/88/80/963808880.db2.gz XFQZGHDKWQJBSV-JTQLQIEISA-N 1 2 239.319 1.454 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C)cc(C)n2)C[NH2+]1 ZINC001158253803 963839465 /nfs/dbraw/zinc/83/94/65/963839465.db2.gz CTOXHXUBSSIHBH-MNOVXSKESA-N 1 2 249.314 1.014 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C)cc(C)[nH+]2)CN1 ZINC001158253803 963839466 /nfs/dbraw/zinc/83/94/66/963839466.db2.gz CTOXHXUBSSIHBH-MNOVXSKESA-N 1 2 249.314 1.014 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@H](C)C1)n1cc[nH+]c1 ZINC000053898577 963844848 /nfs/dbraw/zinc/84/48/48/963844848.db2.gz DARAZUKVKXQCFD-QWRGUYRKSA-N 1 2 221.304 1.703 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cccc(C2CC2)n1 ZINC001158711721 963905070 /nfs/dbraw/zinc/90/50/70/963905070.db2.gz VQZWBHMUSWZLAM-GFCCVEGCSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cccc(C2CC2)n1 ZINC001158711721 963905075 /nfs/dbraw/zinc/90/50/75/963905075.db2.gz VQZWBHMUSWZLAM-GFCCVEGCSA-N 1 2 247.342 1.702 20 0 BDADLO CO[C@@H](C)CNc1ccc(Cl)c(N)[nH+]1 ZINC001158812572 963931714 /nfs/dbraw/zinc/93/17/14/963931714.db2.gz APZKDNTWWGISDL-LURJTMIESA-N 1 2 215.684 1.764 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cncn1C ZINC001204387356 963953843 /nfs/dbraw/zinc/95/38/43/963953843.db2.gz NFRRMZLGTAEXAU-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cncn1C ZINC001204387356 963953848 /nfs/dbraw/zinc/95/38/48/963953848.db2.gz NFRRMZLGTAEXAU-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO Cn1cncc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001204387309 963954197 /nfs/dbraw/zinc/95/41/97/963954197.db2.gz LGFRVIWEYSUWME-VIFPVBQESA-N 1 2 241.335 1.450 20 0 BDADLO CCSc1cc[nH+]c(N[C@@H](C)C(=O)NC)c1 ZINC001158991076 963970203 /nfs/dbraw/zinc/97/02/03/963970203.db2.gz YFLKQQCWTOJXHK-QMMMGPOBSA-N 1 2 239.344 1.740 20 0 BDADLO CC(C)Cc1coc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001159196977 964010609 /nfs/dbraw/zinc/01/06/09/964010609.db2.gz LLVWIURSUXCIBM-UHFFFAOYSA-N 1 2 248.286 1.708 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2C[C@@H](CO)C2)c1C ZINC001168246198 964055945 /nfs/dbraw/zinc/05/59/45/964055945.db2.gz BHYZHAXCNGHHAZ-PHIMTYICSA-N 1 2 206.289 1.881 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001203162466 964062990 /nfs/dbraw/zinc/06/29/90/964062990.db2.gz XOARMGRCZFGGFD-ZJUUUORDSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001203162466 964063003 /nfs/dbraw/zinc/06/30/03/964063003.db2.gz XOARMGRCZFGGFD-ZJUUUORDSA-N 1 2 209.268 1.717 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000093333999 964102784 /nfs/dbraw/zinc/10/27/84/964102784.db2.gz JHFGTVUZWJFPJQ-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000093333999 964102792 /nfs/dbraw/zinc/10/27/92/964102792.db2.gz JHFGTVUZWJFPJQ-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1ccc(CN2C[C@@H](F)[C@@H](F)C2)c(N)[nH+]1 ZINC000714564318 964223386 /nfs/dbraw/zinc/22/33/86/964223386.db2.gz MSFFADQWWIRKNI-AOOOYVTPSA-N 1 2 227.258 1.464 20 0 BDADLO COC(=O)C[C@@H](C)Nc1[nH+]cc(C)cc1OC ZINC001160533116 964327362 /nfs/dbraw/zinc/32/73/62/964327362.db2.gz MMTZEPTVBOZXNX-SECBINFHSA-N 1 2 238.287 1.762 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)o1 ZINC001204389715 964342823 /nfs/dbraw/zinc/34/28/23/964342823.db2.gz SPLUIYCPTVYGTN-QWRGUYRKSA-N 1 2 241.306 1.994 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)o1 ZINC001204389715 964342829 /nfs/dbraw/zinc/34/28/29/964342829.db2.gz SPLUIYCPTVYGTN-QWRGUYRKSA-N 1 2 241.306 1.994 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)c1ccccc1 ZINC000697641609 964382166 /nfs/dbraw/zinc/38/21/66/964382166.db2.gz XNHWJTMESFHQCJ-JTQLQIEISA-N 1 2 215.243 1.965 20 0 BDADLO COC(=O)[C@H]1C[C@@H]1CNc1[nH+]cccc1OC ZINC001161036354 964493532 /nfs/dbraw/zinc/49/35/32/964493532.db2.gz KKNOCQVSNBFOFC-BDAKNGLRSA-N 1 2 236.271 1.311 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1CNc1[nH+]cccc1OC ZINC001161036357 964494047 /nfs/dbraw/zinc/49/40/47/964494047.db2.gz KKNOCQVSNBFOFC-RKDXNWHRSA-N 1 2 236.271 1.311 20 0 BDADLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(F)F ZINC001161303975 964565074 /nfs/dbraw/zinc/56/50/74/964565074.db2.gz MDCOXYRQBZGBAN-LURJTMIESA-N 1 2 239.225 1.946 20 0 BDADLO [O-][n+]1ccccc1NCCCn1cc[nH+]c1 ZINC001161684938 964684487 /nfs/dbraw/zinc/68/44/87/964684487.db2.gz YNSQCKCXTGKEOC-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO C=Cc1cnc(NCCCn2cc[nH+]c2)nc1 ZINC001161682297 964684676 /nfs/dbraw/zinc/68/46/76/964684676.db2.gz NARJIVPABKJVGJ-UHFFFAOYSA-N 1 2 229.287 1.818 20 0 BDADLO Clc1ccnc(NCCCn2cc[nH+]c2)n1 ZINC001161688074 964688177 /nfs/dbraw/zinc/68/81/77/964688177.db2.gz IORREWLYAKAXMC-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO CCN(C)c1cc(NCC(F)F)[nH+]cn1 ZINC001161809036 964764275 /nfs/dbraw/zinc/76/42/75/964764275.db2.gz CRBYUNIHQFHNQF-UHFFFAOYSA-N 1 2 216.235 1.610 20 0 BDADLO CCN(C)c1cc(NCC(F)F)nc[nH+]1 ZINC001161809036 964764283 /nfs/dbraw/zinc/76/42/83/964764283.db2.gz CRBYUNIHQFHNQF-UHFFFAOYSA-N 1 2 216.235 1.610 20 0 BDADLO Cc1ccc2cc(NCC(N)=O)[nH+]cc2c1 ZINC001161835442 964776843 /nfs/dbraw/zinc/77/68/43/964776843.db2.gz KRBCRYSUOJWADB-UHFFFAOYSA-N 1 2 215.256 1.440 20 0 BDADLO Cn1cc(CNc2ccc3c([nH+]2)CCOC3)cn1 ZINC001161851202 964789320 /nfs/dbraw/zinc/78/93/20/964789320.db2.gz PXWWUJFOBGSPBY-UHFFFAOYSA-N 1 2 244.298 1.500 20 0 BDADLO Cn1cc(CNc2ccc3[nH+]cn(C)c3c2)cn1 ZINC001161853117 964793969 /nfs/dbraw/zinc/79/39/69/964793969.db2.gz QMXRPYWGZWLCDK-UHFFFAOYSA-N 1 2 241.298 1.919 20 0 BDADLO Cc1c[nH+]cc(NCC(=O)NC2CC2)c1C ZINC001161897146 964810928 /nfs/dbraw/zinc/81/09/28/964810928.db2.gz FBGHHNJHXNRHSX-UHFFFAOYSA-N 1 2 219.288 1.389 20 0 BDADLO COCc1cc[nH+]c(NCc2nccnc2C)c1 ZINC001162000296 964841312 /nfs/dbraw/zinc/84/13/12/964841312.db2.gz GBZDYCLAIIZBDN-UHFFFAOYSA-N 1 2 244.298 1.939 20 0 BDADLO c1nc(CNc2cc(N3CCCC3)nc[nH+]2)no1 ZINC001162275776 964902457 /nfs/dbraw/zinc/90/24/57/964902457.db2.gz JBCKOZWUBUYKTI-UHFFFAOYSA-N 1 2 246.274 1.072 20 0 BDADLO c1nc(CNc2cc(N3CCCC3)[nH+]cn2)no1 ZINC001162275776 964902464 /nfs/dbraw/zinc/90/24/64/964902464.db2.gz JBCKOZWUBUYKTI-UHFFFAOYSA-N 1 2 246.274 1.072 20 0 BDADLO CCCNc1cc(N[C@@H](CC)[C@@H](C)O)nc[nH+]1 ZINC000386838600 964972537 /nfs/dbraw/zinc/97/25/37/964972537.db2.gz XEJOVFSCWSOFGF-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@@H](CC)[C@@H](C)O)[nH+]cn1 ZINC000386838600 964972547 /nfs/dbraw/zinc/97/25/47/964972547.db2.gz XEJOVFSCWSOFGF-ZJUUUORDSA-N 1 2 238.335 1.870 20 0 BDADLO COc1cc[nH+]cc1NCC1CC(=O)C1 ZINC001168391409 965119615 /nfs/dbraw/zinc/11/96/15/965119615.db2.gz BBEPQXOOOWDESM-UHFFFAOYSA-N 1 2 206.245 1.481 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@@H]1CNC(=O)O1 ZINC001163018312 965233630 /nfs/dbraw/zinc/23/36/30/965233630.db2.gz HDUOEPBVIVJQAC-SSDOTTSWSA-N 1 2 225.223 1.049 20 0 BDADLO CC(C)(C)c1ccc(NC[C@@H]2CNC(=O)O2)[nH+]c1 ZINC001163021055 965235089 /nfs/dbraw/zinc/23/50/89/965235089.db2.gz OUFNPCGITBNNKW-SNVBAGLBSA-N 1 2 249.314 1.899 20 0 BDADLO c1[nH]c2cnccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231519747 965265526 /nfs/dbraw/zinc/26/55/26/965265526.db2.gz IXDWSZIMJVTWFJ-QWHCGFSZSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]c2cnccc2c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231519747 965265542 /nfs/dbraw/zinc/26/55/42/965265542.db2.gz IXDWSZIMJVTWFJ-QWHCGFSZSA-N 1 2 229.283 1.536 20 0 BDADLO CN(C)c1cc(N2CC(C)(C)C2)nc[nH+]1 ZINC001163723925 965537276 /nfs/dbraw/zinc/53/72/76/965537276.db2.gz GPXHWOIKRKYHNW-UHFFFAOYSA-N 1 2 206.293 1.389 20 0 BDADLO CN(C)c1cc(N2CC(C)(C)C2)[nH+]cn1 ZINC001163723925 965537302 /nfs/dbraw/zinc/53/73/02/965537302.db2.gz GPXHWOIKRKYHNW-UHFFFAOYSA-N 1 2 206.293 1.389 20 0 BDADLO COCC1CN(c2[nH+]ccc(C)c2NC(C)=O)C1 ZINC001163732918 965547084 /nfs/dbraw/zinc/54/70/84/965547084.db2.gz ZOXLHHKCCYVFHQ-UHFFFAOYSA-N 1 2 249.314 1.431 20 0 BDADLO Cc1nccn1CCNc1cc[nH+]c(C)c1F ZINC001163927810 965642689 /nfs/dbraw/zinc/64/26/89/965642689.db2.gz DOMYNBXXEZYIOQ-UHFFFAOYSA-N 1 2 234.278 1.568 20 0 BDADLO CN(C)c1cc(N2CC(F)(C3CC3)C2)nc[nH+]1 ZINC001163965840 965665193 /nfs/dbraw/zinc/66/51/93/965665193.db2.gz GCYROYDZEIJZLJ-UHFFFAOYSA-N 1 2 236.294 1.481 20 0 BDADLO CN(C)c1cc(N2CC(F)(C3CC3)C2)[nH+]cn1 ZINC001163965840 965665198 /nfs/dbraw/zinc/66/51/98/965665198.db2.gz GCYROYDZEIJZLJ-UHFFFAOYSA-N 1 2 236.294 1.481 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2C=CS(=O)(=O)C2)c1C ZINC001164016713 965695839 /nfs/dbraw/zinc/69/58/39/965695839.db2.gz VQOKOLYGJAZPHS-JTQLQIEISA-N 1 2 238.312 1.421 20 0 BDADLO COC(=O)c1[nH+]ccc(NC2(C)CCC2)c1C ZINC001164032006 965705895 /nfs/dbraw/zinc/70/58/95/965705895.db2.gz MSGRODUBGQKKMX-UHFFFAOYSA-N 1 2 234.299 1.953 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@H](CO)C[C@H](F)C1 ZINC001164043472 965712270 /nfs/dbraw/zinc/71/22/70/965712270.db2.gz MQIGLOBXJSSGOP-ZJUUUORDSA-N 1 2 242.269 1.686 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@@H](F)C[C@H](CO)C1 ZINC001164043470 965714613 /nfs/dbraw/zinc/71/46/13/965714613.db2.gz MQIGLOBXJSSGOP-UWVGGRQHSA-N 1 2 242.269 1.686 20 0 BDADLO CCSc1cc[nH+]c(N2C[C@@H](O)[C@@H](F)C2)c1 ZINC001164109090 965738388 /nfs/dbraw/zinc/73/83/88/965738388.db2.gz FQVWDSMDUWHCLF-VHSXEESVSA-N 1 2 242.319 1.713 20 0 BDADLO CC(C)(C)c1ccc(N2C[C@@H](O)[C@@H](F)C2)[nH+]c1 ZINC001164109930 965740315 /nfs/dbraw/zinc/74/03/15/965740315.db2.gz VGKGHPDMWYTWRR-WDEREUQCSA-N 1 2 238.306 1.898 20 0 BDADLO C[C@@H]1CC[C@@H](O)CN1c1ccc(Cl)c(N)[nH+]1 ZINC001164124326 965746740 /nfs/dbraw/zinc/74/67/40/965746740.db2.gz BFYXPMQBQNMLCT-HTQZYQBOSA-N 1 2 241.722 1.667 20 0 BDADLO C[C@@]1(F)CCN(c2cc(N)nc[nH+]2)C[C@@H]1F ZINC001164340636 965849562 /nfs/dbraw/zinc/84/95/62/965849562.db2.gz ZMBYGCXCDAXHFG-OIBJUYFYSA-N 1 2 228.246 1.335 20 0 BDADLO Cc1nc(N2CC[C@@](C)(O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001164351945 965856651 /nfs/dbraw/zinc/85/66/51/965856651.db2.gz DXNYOPUYYFNYHS-LKFCYVNXSA-N 1 2 249.358 1.999 20 0 BDADLO O=c1[nH][nH]cc1CCC[NH2+]c1ccc(O)cc1 ZINC001164381932 965868630 /nfs/dbraw/zinc/86/86/30/965868630.db2.gz IEEKDYCIMGQNCN-SECBINFHSA-N 1 2 233.271 1.316 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001165268149 966017908 /nfs/dbraw/zinc/01/79/08/966017908.db2.gz MXZSMBWFLKKYSH-OLZOCXBDSA-N 1 2 248.326 1.701 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCCC[C@H]21 ZINC001165276906 966020064 /nfs/dbraw/zinc/02/00/64/966020064.db2.gz FPHCOCXGJISEOS-ZYHUDNBSSA-N 1 2 233.315 1.364 20 0 BDADLO COc1cncc(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000699840928 966131600 /nfs/dbraw/zinc/13/16/00/966131600.db2.gz RAROEXDBPHZHDA-GFCCVEGCSA-N 1 2 244.298 1.521 20 0 BDADLO CCN(C)c1cc(NCC(C)(C)OC)[nH+]cn1 ZINC001165803689 966164971 /nfs/dbraw/zinc/16/49/71/966164971.db2.gz QSELTDZUMHKNEH-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CCN(C)c1cc(NCC(C)(C)OC)nc[nH+]1 ZINC001165803689 966164978 /nfs/dbraw/zinc/16/49/78/966164978.db2.gz QSELTDZUMHKNEH-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CSc1cc(N[C@H](C)CCO)nc(C)[nH+]1 ZINC001165858696 966173560 /nfs/dbraw/zinc/17/35/60/966173560.db2.gz NLTJJMYFNVXEQO-SSDOTTSWSA-N 1 2 227.333 1.690 20 0 BDADLO CCc1cc(CN(CC)C2C[NH+](C)C2)on1 ZINC001203228280 966225556 /nfs/dbraw/zinc/22/55/56/966225556.db2.gz MVASSVDKFCRJGQ-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO CCc1cc(C[N@@H+](CC)C2CN(C)C2)on1 ZINC001203228280 966225576 /nfs/dbraw/zinc/22/55/76/966225576.db2.gz MVASSVDKFCRJGQ-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO CCc1cc(C[N@H+](CC)C2CN(C)C2)on1 ZINC001203228280 966225589 /nfs/dbraw/zinc/22/55/89/966225589.db2.gz MVASSVDKFCRJGQ-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO CNc1cc(CNC(=O)N2CCC2(C)C)cc[nH+]1 ZINC001123793935 966265303 /nfs/dbraw/zinc/26/53/03/966265303.db2.gz GSKAFMQSUNMNIV-UHFFFAOYSA-N 1 2 248.330 1.817 20 0 BDADLO Nc1[nH+]c(N2CC[C@@H](CO)C2)ccc1Cl ZINC001166550217 966299307 /nfs/dbraw/zinc/29/93/07/966299307.db2.gz AFEQJKDUFQJCKR-SSDOTTSWSA-N 1 2 227.695 1.136 20 0 BDADLO Nc1cc(N2CC[C@@H](c3ccncc3)C2)[nH+]cn1 ZINC001166567523 966306467 /nfs/dbraw/zinc/30/64/67/966306467.db2.gz OASMRPLUIAZTPI-LLVKDONJSA-N 1 2 241.298 1.448 20 0 BDADLO CCc1nc(N2CCNC(=O)C2(C)C)cc(C)[nH+]1 ZINC001166608331 966321441 /nfs/dbraw/zinc/32/14/41/966321441.db2.gz ONSGAJHBEPEREN-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO CC(=O)OC1CN(c2cc(C3CC3)cc[nH+]2)C1 ZINC001166638542 966345023 /nfs/dbraw/zinc/34/50/23/966345023.db2.gz ZGNKTNYQXWMCLZ-UHFFFAOYSA-N 1 2 232.283 1.711 20 0 BDADLO Cc1cc(N[C@H]2CCN(C)C2=O)[nH+]c2cc[nH]c21 ZINC001166695045 966366712 /nfs/dbraw/zinc/36/67/12/966366712.db2.gz QRWKYLFVHMWSOO-JTQLQIEISA-N 1 2 244.298 1.514 20 0 BDADLO CN(C)c1cc(N2CCCCC23COC3)nc[nH+]1 ZINC001166692149 966370118 /nfs/dbraw/zinc/37/01/18/966370118.db2.gz WPVPQYGIARNGHN-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO CN(C)c1cc(N2CCCCC23COC3)[nH+]cn1 ZINC001166692149 966370135 /nfs/dbraw/zinc/37/01/35/966370135.db2.gz WPVPQYGIARNGHN-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO COc1ccc(N[C@H]2CCN(C)C2=O)[nH+]c1C ZINC001166696141 966374967 /nfs/dbraw/zinc/37/49/67/966374967.db2.gz ZOFVRRZNRYTHHJ-VIFPVBQESA-N 1 2 235.287 1.041 20 0 BDADLO CC(=O)N(C)C1CN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166730320 966378551 /nfs/dbraw/zinc/37/85/51/966378551.db2.gz FTEMCXBZJSRERL-UHFFFAOYSA-N 1 2 245.326 1.626 20 0 BDADLO Cc1cnc(N2CC[C@@H]([NH3+])C(F)(F)C2)c(N)c1 ZINC001166958565 966484064 /nfs/dbraw/zinc/48/40/64/966484064.db2.gz FGLHQOXFUKBFCL-SECBINFHSA-N 1 2 242.273 1.145 20 0 BDADLO Cc1nc(N2CC[C@@H](O)C[C@H]2C)c2c([nH+]1)CCC2 ZINC001166964424 966492124 /nfs/dbraw/zinc/49/21/24/966492124.db2.gz VQAGKKAJLSLODY-MWLCHTKSSA-N 1 2 247.342 1.623 20 0 BDADLO Cc1cc(N(C)C2(C)COC2)nc(C2CC2)[nH+]1 ZINC001166984861 966508278 /nfs/dbraw/zinc/50/82/78/966508278.db2.gz FNBJJRAKISTMIA-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO Cc1c[nH+]c(NC=CC(C)(C)O)c(N)c1 ZINC001203210908 966552968 /nfs/dbraw/zinc/55/29/68/966552968.db2.gz KVQJBWMTSQTXSU-SNAWJCMRSA-N 1 2 207.277 1.669 20 0 BDADLO CNc1ccc(Nc2ccccc2C(N)=O)c[nH+]1 ZINC001203456696 966657672 /nfs/dbraw/zinc/65/76/72/966657672.db2.gz RCABKCVQYREGKO-UHFFFAOYSA-N 1 2 242.282 1.966 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)[nH]1 ZINC001237607630 966677124 /nfs/dbraw/zinc/67/71/24/966677124.db2.gz COYNKXQPTPSFAD-MNOVXSKESA-N 1 2 220.320 1.959 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)[nH]1 ZINC001237607630 966677129 /nfs/dbraw/zinc/67/71/29/966677129.db2.gz COYNKXQPTPSFAD-MNOVXSKESA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)n[nH]1 ZINC001237607630 966677133 /nfs/dbraw/zinc/67/71/33/966677133.db2.gz COYNKXQPTPSFAD-MNOVXSKESA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)n[nH]1 ZINC001237607630 966677139 /nfs/dbraw/zinc/67/71/39/966677139.db2.gz COYNKXQPTPSFAD-MNOVXSKESA-N 1 2 220.320 1.959 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2cn[nH]c2CC)C1 ZINC001237651262 966678941 /nfs/dbraw/zinc/67/89/41/966678941.db2.gz OFLSWPSYSUHEOT-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2cn[nH]c2CC)C1 ZINC001237651262 966678944 /nfs/dbraw/zinc/67/89/44/966678944.db2.gz OFLSWPSYSUHEOT-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107002123 966709288 /nfs/dbraw/zinc/70/92/88/966709288.db2.gz QQXDVOQMOWEBNE-SNAWJCMRSA-N 1 2 234.303 1.279 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2scnc2C(N)=O)c1 ZINC001203658183 966730989 /nfs/dbraw/zinc/73/09/89/966730989.db2.gz ZYOSXWXWXLYBPY-UHFFFAOYSA-N 1 2 248.311 1.997 20 0 BDADLO CCn1cnnc1NCc1cc(C)[nH+]c(C)c1 ZINC001203750453 966770528 /nfs/dbraw/zinc/77/05/28/966770528.db2.gz KIJJRQXIEXNFDW-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO COc1cccc(C[N@@H+]2CCC23COC3)c1 ZINC001203822747 966793683 /nfs/dbraw/zinc/79/36/83/966793683.db2.gz UQZLIJWSELVUEQ-UHFFFAOYSA-N 1 2 219.284 1.670 20 0 BDADLO COc1cccc(C[N@H+]2CCC23COC3)c1 ZINC001203822747 966793691 /nfs/dbraw/zinc/79/36/91/966793691.db2.gz UQZLIJWSELVUEQ-UHFFFAOYSA-N 1 2 219.284 1.670 20 0 BDADLO C[C@H]1C[NH+](C2CN(Cc3ccc[nH]3)C2)C[C@H](C)O1 ZINC001204011239 966851162 /nfs/dbraw/zinc/85/11/62/966851162.db2.gz YLUQZLFBDCWQPI-RYUDHWBXSA-N 1 2 249.358 1.308 20 0 BDADLO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)nc1 ZINC001204066253 966875101 /nfs/dbraw/zinc/87/51/01/966875101.db2.gz XASFPAGJMQLUOB-VXGBXAGGSA-N 1 2 204.273 1.445 20 0 BDADLO c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)nc1 ZINC001204066253 966875107 /nfs/dbraw/zinc/87/51/07/966875107.db2.gz XASFPAGJMQLUOB-VXGBXAGGSA-N 1 2 204.273 1.445 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cccnc2)C1 ZINC001204068983 966880617 /nfs/dbraw/zinc/88/06/17/966880617.db2.gz IYGSHWPKAGWWGC-VXGBXAGGSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2cccnc2)C1 ZINC001204068983 966880619 /nfs/dbraw/zinc/88/06/19/966880619.db2.gz IYGSHWPKAGWWGC-VXGBXAGGSA-N 1 2 224.279 1.234 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1ccc(O)cc1 ZINC001204099311 966895767 /nfs/dbraw/zinc/89/57/67/966895767.db2.gz UCLRYCDCECJTTQ-LBPRGKRZSA-N 1 2 237.299 1.239 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1ccc(O)cc1 ZINC001204099311 966895773 /nfs/dbraw/zinc/89/57/73/966895773.db2.gz UCLRYCDCECJTTQ-LBPRGKRZSA-N 1 2 237.299 1.239 20 0 BDADLO C[N@H+](Cc1ccc(F)c(F)c1)C1COC1 ZINC001204222811 966932151 /nfs/dbraw/zinc/93/21/51/966932151.db2.gz NBSQJMBVPCQMGO-UHFFFAOYSA-N 1 2 213.227 1.795 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(F)c1)C1COC1 ZINC001204222811 966932162 /nfs/dbraw/zinc/93/21/62/966932162.db2.gz NBSQJMBVPCQMGO-UHFFFAOYSA-N 1 2 213.227 1.795 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(CC)o2)C1 ZINC001204392291 966983904 /nfs/dbraw/zinc/98/39/04/966983904.db2.gz DKZHQIZPZWWJNQ-UHFFFAOYSA-N 1 2 237.299 1.837 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(C)c(C)o1 ZINC001204536413 967033804 /nfs/dbraw/zinc/03/38/04/967033804.db2.gz HUZRZLFWSANDOJ-UHFFFAOYSA-N 1 2 210.277 1.074 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(C)c(C)o1 ZINC001204536413 967033818 /nfs/dbraw/zinc/03/38/18/967033818.db2.gz HUZRZLFWSANDOJ-UHFFFAOYSA-N 1 2 210.277 1.074 20 0 BDADLO COc1cc(Nc2[nH+]cccc2N)ccc1N ZINC001249714205 967037001 /nfs/dbraw/zinc/03/70/01/967037001.db2.gz CGQALXKTBASAMZ-UHFFFAOYSA-N 1 2 230.271 1.998 20 0 BDADLO Cc1cc(N)n(-c2c[nH+]c(N)c(C)c2)n1 ZINC001249778307 967052698 /nfs/dbraw/zinc/05/26/98/967052698.db2.gz FMWNIVNMEKEXNA-UHFFFAOYSA-N 1 2 203.249 1.049 20 0 BDADLO N=c1scc(N)n1-c1ccn2cc[nH+]c2c1 ZINC001204951727 967233004 /nfs/dbraw/zinc/23/30/04/967233004.db2.gz YDSDOTNJKRRXGP-UHFFFAOYSA-N 1 2 231.284 1.248 20 0 BDADLO O[C@H]1CC[N@H+](Cc2scnc2Cl)C1 ZINC000721925137 967241522 /nfs/dbraw/zinc/24/15/22/967241522.db2.gz ZSZBCMUTRACDPL-LURJTMIESA-N 1 2 218.709 1.363 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000721925137 967241537 /nfs/dbraw/zinc/24/15/37/967241537.db2.gz ZSZBCMUTRACDPL-LURJTMIESA-N 1 2 218.709 1.363 20 0 BDADLO CCOc1cc(C[NH+]2CC3(COC3)C2)ccn1 ZINC001249998440 967252097 /nfs/dbraw/zinc/25/20/97/967252097.db2.gz QUJXBBXQZAZNNT-UHFFFAOYSA-N 1 2 234.299 1.313 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc2nncn2c1 ZINC001250000480 967256178 /nfs/dbraw/zinc/25/61/78/967256178.db2.gz UUNDSOLGDGIDPN-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO OCc1cncc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204966127 967265954 /nfs/dbraw/zinc/26/59/54/967265954.db2.gz MUNIXNRWKQXFFR-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO CNc1cc(CC(=O)OC(C)C)cc[nH+]1 ZINC001250091001 967355889 /nfs/dbraw/zinc/35/58/89/967355889.db2.gz GRMMGBNVKVDPSV-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO CN1CCOc2cc(C[C@@H]3CCCO3)c[nH+]c21 ZINC001250103138 967375764 /nfs/dbraw/zinc/37/57/64/967375764.db2.gz LLTGNMUZKKLEIQ-NSHDSACASA-N 1 2 234.299 1.632 20 0 BDADLO COc1cc(O)ccc1CC[NH+]1CCOCC1 ZINC001250276265 967608349 /nfs/dbraw/zinc/60/83/49/967608349.db2.gz BDMXWLZWWILPOA-UHFFFAOYSA-N 1 2 237.299 1.276 20 0 BDADLO CN1C[C@@H](CNc2cc3cc[nH]c3c[nH+]2)CC1=O ZINC001168719200 967623392 /nfs/dbraw/zinc/62/33/92/967623392.db2.gz ZTVXKYPRCARLPK-SECBINFHSA-N 1 2 244.298 1.453 20 0 BDADLO CCn1cc(C[N@@H+]2CCCC(=O)[C@H](C)C2)cn1 ZINC001205513448 967653944 /nfs/dbraw/zinc/65/39/44/967653944.db2.gz HEGSBSLBLOZXTK-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cc(C[N@H+]2CCCC(=O)[C@H](C)C2)cn1 ZINC001205513448 967653969 /nfs/dbraw/zinc/65/39/69/967653969.db2.gz HEGSBSLBLOZXTK-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cc(C[N@H+]2CCC(=O)[C@@H](C)CC2)cn1 ZINC001205525238 967659017 /nfs/dbraw/zinc/65/90/17/967659017.db2.gz VWBBKDOBZDLZJK-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cn1 ZINC001205525238 967659037 /nfs/dbraw/zinc/65/90/37/967659037.db2.gz VWBBKDOBZDLZJK-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cc(C[N@@H+]2CCCC23COC3)cn1 ZINC001205538706 967676791 /nfs/dbraw/zinc/67/67/91/967676791.db2.gz RNULOONSLCWGSH-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CCn1cc(C[N@H+]2CCCC23COC3)cn1 ZINC001205538706 967676805 /nfs/dbraw/zinc/67/68/05/967676805.db2.gz RNULOONSLCWGSH-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CN1Cc2ccc(CCn3cc[nH+]c3)cc2C1=O ZINC001250319912 967697882 /nfs/dbraw/zinc/69/78/82/967697882.db2.gz GJCIJYRCFDDBKL-UHFFFAOYSA-N 1 2 241.294 1.711 20 0 BDADLO Cc1[nH+]cc(Cc2ncccn2)cc1N ZINC001250342381 967735661 /nfs/dbraw/zinc/73/56/61/967735661.db2.gz BTSZGJAXZAIAFF-UHFFFAOYSA-N 1 2 200.245 1.353 20 0 BDADLO CNc1ccc(Cc2nc(C)no2)c[nH+]1 ZINC001250356832 967762114 /nfs/dbraw/zinc/76/21/14/967762114.db2.gz MQMDFNLACRUBGO-UHFFFAOYSA-N 1 2 204.233 1.406 20 0 BDADLO COCc1nc(Cc2ccc(C)[nH+]c2C)no1 ZINC001250368072 967776368 /nfs/dbraw/zinc/77/63/68/967776368.db2.gz LWECXQWWCNIVJD-UHFFFAOYSA-N 1 2 233.271 1.819 20 0 BDADLO O=C(Cc1ccn2cc[nH+]c2c1)NC1CC1 ZINC001250381030 967802364 /nfs/dbraw/zinc/80/23/64/967802364.db2.gz HXNXUNXQUZWIIU-UHFFFAOYSA-N 1 2 215.256 1.155 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cnoc2)C1 ZINC001205731933 967807026 /nfs/dbraw/zinc/80/70/26/967807026.db2.gz MDBULKVSNFHXLG-LLVKDONJSA-N 1 2 237.303 1.165 20 0 BDADLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cnoc2)C1 ZINC001205731933 967807027 /nfs/dbraw/zinc/80/70/27/967807027.db2.gz MDBULKVSNFHXLG-LLVKDONJSA-N 1 2 237.303 1.165 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccncc2C)C[C@@H]1F ZINC001205828447 967842203 /nfs/dbraw/zinc/84/22/03/967842203.db2.gz XCDVRNIDPGWZLV-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccncc2C)C[C@@H]1F ZINC001205828447 967842205 /nfs/dbraw/zinc/84/22/05/967842205.db2.gz XCDVRNIDPGWZLV-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)n(C)n1 ZINC001205881279 967872204 /nfs/dbraw/zinc/87/22/04/967872204.db2.gz FXLXAFCJVGQURS-UHFFFAOYSA-N 1 2 241.285 1.960 20 0 BDADLO CCCn1c[nH+]cc1CN(C(C)C)C1COC1 ZINC001205960733 967906542 /nfs/dbraw/zinc/90/65/42/967906542.db2.gz ZWAUQMOBAMGMAO-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000695211125 967978882 /nfs/dbraw/zinc/97/88/82/967978882.db2.gz OXHOLQSHLVVJHX-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000695211125 967978889 /nfs/dbraw/zinc/97/88/89/967978889.db2.gz OXHOLQSHLVVJHX-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)C2(C)COC2)s1 ZINC001206179504 968111594 /nfs/dbraw/zinc/11/15/94/968111594.db2.gz QSYSHUWZPISDBS-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)C2(C)COC2)s1 ZINC001206179504 968111602 /nfs/dbraw/zinc/11/16/02/968111602.db2.gz QSYSHUWZPISDBS-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO Cn1ccc(C[NH+]2CC3(C2)CCOCC3)n1 ZINC001206285360 968197473 /nfs/dbraw/zinc/19/74/73/968197473.db2.gz KPRQYSXHCXFEOX-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO COc1cccc([C@H](O)C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001250714375 968198674 /nfs/dbraw/zinc/19/86/74/968198674.db2.gz PQBFQDXRXBRDPF-HZSPNIEDSA-N 1 2 249.310 1.202 20 0 BDADLO COc1cccc([C@H](O)C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001250714375 968198677 /nfs/dbraw/zinc/19/86/77/968198677.db2.gz PQBFQDXRXBRDPF-HZSPNIEDSA-N 1 2 249.310 1.202 20 0 BDADLO O[C@H](C[N@@H+]1CCc2cccnc2C1)C(F)(F)F ZINC001250975983 968233080 /nfs/dbraw/zinc/23/30/80/968233080.db2.gz IWFCGGSZLOHRSQ-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO O[C@H](C[N@H+]1CCc2cccnc2C1)C(F)(F)F ZINC001250975983 968233093 /nfs/dbraw/zinc/23/30/93/968233093.db2.gz IWFCGGSZLOHRSQ-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1noc(C)n1 ZINC001119245444 968293381 /nfs/dbraw/zinc/29/33/81/968293381.db2.gz PVQZJWXYLJFVSB-GJMOJQLCSA-N 1 2 213.281 1.452 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001251780387 968321682 /nfs/dbraw/zinc/32/16/82/968321682.db2.gz LROWSBMMZJYDRA-OLZOCXBDSA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001251780387 968321692 /nfs/dbraw/zinc/32/16/92/968321692.db2.gz LROWSBMMZJYDRA-OLZOCXBDSA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccncc1OC)C2 ZINC001206487153 968336093 /nfs/dbraw/zinc/33/60/93/968336093.db2.gz JZCMZJCZZBHJPM-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccncc1OC)C2 ZINC001206487153 968336103 /nfs/dbraw/zinc/33/61/03/968336103.db2.gz JZCMZJCZZBHJPM-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC(C)(F)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084146445 968356814 /nfs/dbraw/zinc/35/68/14/968356814.db2.gz HBAXFHRIXFMFIS-NXEZZACHSA-N 1 2 246.301 1.237 20 0 BDADLO CC(C)(F)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084146445 968356824 /nfs/dbraw/zinc/35/68/24/968356824.db2.gz HBAXFHRIXFMFIS-NXEZZACHSA-N 1 2 246.301 1.237 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001206560624 968384197 /nfs/dbraw/zinc/38/41/97/968384197.db2.gz CAXLLPVOCPKMBS-SRVKXCTJSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001206560624 968384204 /nfs/dbraw/zinc/38/42/04/968384204.db2.gz CAXLLPVOCPKMBS-SRVKXCTJSA-N 1 2 236.290 1.880 20 0 BDADLO OCCn1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001206562484 968386996 /nfs/dbraw/zinc/38/69/96/968386996.db2.gz JNRBYLFCSIJDAF-UHFFFAOYSA-N 1 2 228.255 1.190 20 0 BDADLO COC(=O)c1cccc2c1C[N@H+](C[C@H](C)O)C2 ZINC001251961376 968397401 /nfs/dbraw/zinc/39/74/01/968397401.db2.gz LHMZCKLNOFTZEF-VIFPVBQESA-N 1 2 235.283 1.170 20 0 BDADLO COC(=O)c1cccc2c1C[N@@H+](C[C@H](C)O)C2 ZINC001251961376 968397413 /nfs/dbraw/zinc/39/74/13/968397413.db2.gz LHMZCKLNOFTZEF-VIFPVBQESA-N 1 2 235.283 1.170 20 0 BDADLO Cc1cc(N(C)CC2COC2)nc(C(C)C)[nH+]1 ZINC001166948975 968401062 /nfs/dbraw/zinc/40/10/62/968401062.db2.gz QLPDAHZFWFMZAE-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO N[C@@H]1C[N@H+](Cc2ccsc2)CCC1(F)F ZINC001206658369 968426211 /nfs/dbraw/zinc/42/62/11/968426211.db2.gz WOKKOJPOPRIONB-SECBINFHSA-N 1 2 232.299 1.916 20 0 BDADLO N[C@@H]1C[N@@H+](Cc2ccsc2)CCC1(F)F ZINC001206658369 968426216 /nfs/dbraw/zinc/42/62/16/968426216.db2.gz WOKKOJPOPRIONB-SECBINFHSA-N 1 2 232.299 1.916 20 0 BDADLO CCOC[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252021209 968445318 /nfs/dbraw/zinc/44/53/18/968445318.db2.gz LOGXGYRVLJHPHC-LLVKDONJSA-N 1 2 235.287 1.144 20 0 BDADLO Cc1cc(C[NH+]2CC(C3COC3)C2)no1 ZINC001206818259 968489594 /nfs/dbraw/zinc/48/95/94/968489594.db2.gz PRZWTEJPYGMBBI-UHFFFAOYSA-N 1 2 208.261 1.061 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2cc(C)on2)C1 ZINC001206822182 968493883 /nfs/dbraw/zinc/49/38/83/968493883.db2.gz NJWQYDRSIPWXEP-VIFPVBQESA-N 1 2 210.277 1.450 20 0 BDADLO Cc1ccnc(C[N@H+](C)Cc2cncnc2)c1 ZINC001206853409 968498590 /nfs/dbraw/zinc/49/85/90/968498590.db2.gz SDLIECJASLDUPQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccnc(C[N@@H+](C)Cc2cncnc2)c1 ZINC001206853409 968498593 /nfs/dbraw/zinc/49/85/93/968498593.db2.gz SDLIECJASLDUPQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2nn(C)cc2C1 ZINC001206989642 968528082 /nfs/dbraw/zinc/52/80/82/968528082.db2.gz KTUGXVMYHOPTIO-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2nn(C)cc2C1 ZINC001206989642 968528089 /nfs/dbraw/zinc/52/80/89/968528089.db2.gz KTUGXVMYHOPTIO-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO COc1cncc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001206988393 968528859 /nfs/dbraw/zinc/52/88/59/968528859.db2.gz BOHAWPXHWIXUFS-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1cncc(C[N@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001206988393 968528861 /nfs/dbraw/zinc/52/88/61/968528861.db2.gz BOHAWPXHWIXUFS-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1F ZINC001207017029 968535520 /nfs/dbraw/zinc/53/55/20/968535520.db2.gz NBRFXIWOMBJKDT-WDEREUQCSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1F ZINC001207017029 968535526 /nfs/dbraw/zinc/53/55/26/968535526.db2.gz NBRFXIWOMBJKDT-WDEREUQCSA-N 1 2 228.242 1.125 20 0 BDADLO Fc1cncc(C[NH+]2CC3(CSC3)C2)c1 ZINC001207025824 968558266 /nfs/dbraw/zinc/55/82/66/968558266.db2.gz RWPBTVIEGYSJID-UHFFFAOYSA-N 1 2 224.304 1.770 20 0 BDADLO COCC1C[NH+](Cc2ncccc2F)C1 ZINC001207026462 968562549 /nfs/dbraw/zinc/56/25/49/968562549.db2.gz KEDBWFDXZQWLSU-UHFFFAOYSA-N 1 2 210.252 1.299 20 0 BDADLO C[C@@H]1C[C@H](O)CCN1c1cc(N)cc(Cl)[nH+]1 ZINC000705550321 968571512 /nfs/dbraw/zinc/57/15/12/968571512.db2.gz BNXCCTMDWQWFSS-VXNVDRBHSA-N 1 2 241.722 1.667 20 0 BDADLO Fc1ccc(C[NH+]2CC3(CSC3)C2)nc1 ZINC001207044327 968572187 /nfs/dbraw/zinc/57/21/87/968572187.db2.gz UMYLAPAFHWRYLU-UHFFFAOYSA-N 1 2 224.304 1.770 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048315 968577737 /nfs/dbraw/zinc/57/77/37/968577737.db2.gz JJENGQCUNOIKQF-LBPRGKRZSA-N 1 2 231.299 1.291 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048315 968577745 /nfs/dbraw/zinc/57/77/45/968577745.db2.gz JJENGQCUNOIKQF-LBPRGKRZSA-N 1 2 231.299 1.291 20 0 BDADLO CCc1nccc(C[N@H+](C)Cc2cnn(C)c2)n1 ZINC001207082163 968613379 /nfs/dbraw/zinc/61/33/79/968613379.db2.gz HOKNUBMTTYHTED-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CCc1nccc(C[N@@H+](C)Cc2cnn(C)c2)n1 ZINC001207082163 968613381 /nfs/dbraw/zinc/61/33/81/968613381.db2.gz HOKNUBMTTYHTED-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CCc1nccc(C[N@@H+]2CCO[C@H](C(C)C)C2)n1 ZINC001207092701 968625979 /nfs/dbraw/zinc/62/59/79/968625979.db2.gz OIPNMRLENABXFY-ZDUSSCGKSA-N 1 2 249.358 1.896 20 0 BDADLO CCc1nccc(C[N@H+]2CCO[C@H](C(C)C)C2)n1 ZINC001207092701 968625989 /nfs/dbraw/zinc/62/59/89/968625989.db2.gz OIPNMRLENABXFY-ZDUSSCGKSA-N 1 2 249.358 1.896 20 0 BDADLO Fc1cnc(C[N@@H+]2CCC3(COC3)C2)c(F)c1 ZINC001207093003 968626608 /nfs/dbraw/zinc/62/66/08/968626608.db2.gz IALKATLEMULYAS-UHFFFAOYSA-N 1 2 240.253 1.582 20 0 BDADLO Fc1cnc(C[N@H+]2CCC3(COC3)C2)c(F)c1 ZINC001207093003 968626615 /nfs/dbraw/zinc/62/66/15/968626615.db2.gz IALKATLEMULYAS-UHFFFAOYSA-N 1 2 240.253 1.582 20 0 BDADLO Cc1[nH]c(CNc2cnccn2)[nH+]c1C ZINC000825106322 968635980 /nfs/dbraw/zinc/63/59/80/968635980.db2.gz MZIWHCPGSLFFJO-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO CSCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000736054668 968710772 /nfs/dbraw/zinc/71/07/72/968710772.db2.gz IIOIYONLRTZJBV-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO O=C(C1CCCC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000827957827 968723783 /nfs/dbraw/zinc/72/37/83/968723783.db2.gz CIVZILABXKNIKV-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO COc1ccccc1CC[N@@H+]1CC(=O)NC[C@H]1C ZINC001207459295 968779603 /nfs/dbraw/zinc/77/96/03/968779603.db2.gz PEJZLBMFDBYUQX-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1CC[N@H+]1CC(=O)NC[C@H]1C ZINC001207459295 968779610 /nfs/dbraw/zinc/77/96/10/968779610.db2.gz PEJZLBMFDBYUQX-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO Cc1cc(Cl)c(C)c(NC2(C(N)=O)CC2)[nH+]1 ZINC001155090697 968891141 /nfs/dbraw/zinc/89/11/41/968891141.db2.gz UVCOYIMXUJHSNS-UHFFFAOYSA-N 1 2 239.706 1.782 20 0 BDADLO Cc1nc(NC[C@H](C)NC(=O)C2CC2)cc[nH+]1 ZINC001108227648 968894252 /nfs/dbraw/zinc/89/42/52/968894252.db2.gz WEZGTZBZMVLGKM-QMMMGPOBSA-N 1 2 234.303 1.112 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccn(C)n2)sn1 ZINC000404497669 968894705 /nfs/dbraw/zinc/89/47/05/968894705.db2.gz TZAWDVCYOOTYBE-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1ccc(NC[C@@H](O)COC(C)C)c(C)[nH+]1 ZINC001252665311 968897790 /nfs/dbraw/zinc/89/77/90/968897790.db2.gz QBUYESFFHBSNCH-GFCCVEGCSA-N 1 2 238.331 1.896 20 0 BDADLO c1ccc([C@H]2C[N@H+](C[C@H]3CCCO3)CCO2)nc1 ZINC001207887452 968911108 /nfs/dbraw/zinc/91/11/08/968911108.db2.gz JHBGHCPBQXOTSK-TZMCWYRMSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)nc1 ZINC001207887452 968911113 /nfs/dbraw/zinc/91/11/13/968911113.db2.gz JHBGHCPBQXOTSK-TZMCWYRMSA-N 1 2 248.326 1.634 20 0 BDADLO Cc1cc2c(cn1)C[N@H+](C[C@H]1COC(C)(C)O1)C2 ZINC001207932352 968935222 /nfs/dbraw/zinc/93/52/22/968935222.db2.gz VLOWMFSAEZLSBK-ZDUSSCGKSA-N 1 2 248.326 1.857 20 0 BDADLO Cc1cc2c(cn1)C[N@@H+](C[C@H]1COC(C)(C)O1)C2 ZINC001207932352 968935230 /nfs/dbraw/zinc/93/52/30/968935230.db2.gz VLOWMFSAEZLSBK-ZDUSSCGKSA-N 1 2 248.326 1.857 20 0 BDADLO Nc1cc(-c2ccc3c(c2)OCC(=O)N3)cc[nH+]1 ZINC001241170314 968943285 /nfs/dbraw/zinc/94/32/85/968943285.db2.gz HOQFMDWQDKXKQU-UHFFFAOYSA-N 1 2 241.250 1.662 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252786396 968961941 /nfs/dbraw/zinc/96/19/41/968961941.db2.gz HRGHGBUOFZVJEW-SNVBAGLBSA-N 1 2 224.304 1.502 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252786396 968961947 /nfs/dbraw/zinc/96/19/47/968961947.db2.gz HRGHGBUOFZVJEW-SNVBAGLBSA-N 1 2 224.304 1.502 20 0 BDADLO c1ccc(-c2nnc(C[NH+]3CCC3)o2)cc1 ZINC001253107746 969084771 /nfs/dbraw/zinc/08/47/71/969084771.db2.gz CDEUETHWUAOHCT-UHFFFAOYSA-N 1 2 215.256 1.942 20 0 BDADLO Cc1nc(N[C@H](C)CNC(=O)C2(C)CC2)cc[nH+]1 ZINC001098326394 969152886 /nfs/dbraw/zinc/15/28/86/969152886.db2.gz VPTIADIMQTVLPP-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO CC(=O)N1CC=C(c2ccc(N)[nH+]c2)CC1 ZINC001241967962 969154951 /nfs/dbraw/zinc/15/49/51/969154951.db2.gz AFEXPUMWMIUHOA-UHFFFAOYSA-N 1 2 217.272 1.299 20 0 BDADLO Cn1c[nH+]c2ccc(NCCn3cnnc3)cc21 ZINC001168871131 969241543 /nfs/dbraw/zinc/24/15/43/969241543.db2.gz FHYZXHMZICIMJY-UHFFFAOYSA-N 1 2 242.286 1.277 20 0 BDADLO CCN(C[C@H](C)C(F)(F)F)C1C[NH+](C)C1 ZINC001208900120 969291168 /nfs/dbraw/zinc/29/11/68/969291168.db2.gz ITULVDXBDKUDJS-QMMMGPOBSA-N 1 2 224.270 1.821 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2C)[nH]1 ZINC001168982926 969302112 /nfs/dbraw/zinc/30/21/12/969302112.db2.gz UNRMXFDOMBHREL-HTQZYQBOSA-N 1 2 248.334 1.567 20 0 BDADLO CC(C)COc1cc(NCCC(N)=O)cc[nH+]1 ZINC001168963553 969314811 /nfs/dbraw/zinc/31/48/11/969314811.db2.gz OJGUHUPYELRMSO-UHFFFAOYSA-N 1 2 237.303 1.404 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001209034528 969317809 /nfs/dbraw/zinc/31/78/09/969317809.db2.gz PNYHTLDWSVDZCB-QMMMGPOBSA-N 1 2 239.237 1.619 20 0 BDADLO CCOC(=O)CC[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001209034528 969317816 /nfs/dbraw/zinc/31/78/16/969317816.db2.gz PNYHTLDWSVDZCB-QMMMGPOBSA-N 1 2 239.237 1.619 20 0 BDADLO CCOC(=O)CC[NH+]1CC2(C1)CCCCO2 ZINC001209034749 969332432 /nfs/dbraw/zinc/33/24/32/969332432.db2.gz WNJXEYZCGJSHKP-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO C[N@H+](CCOC(=O)c1ccccc1)C1COC1 ZINC001209046116 969335731 /nfs/dbraw/zinc/33/57/31/969335731.db2.gz ZIVDJMSZGZMOPO-UHFFFAOYSA-N 1 2 235.283 1.174 20 0 BDADLO C[N@@H+](CCOC(=O)c1ccccc1)C1COC1 ZINC001209046116 969335735 /nfs/dbraw/zinc/33/57/35/969335735.db2.gz ZIVDJMSZGZMOPO-UHFFFAOYSA-N 1 2 235.283 1.174 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253722995 969346529 /nfs/dbraw/zinc/34/65/29/969346529.db2.gz YMPJFMQHPAFZPQ-GXSJLCMTSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253722995 969346533 /nfs/dbraw/zinc/34/65/33/969346533.db2.gz YMPJFMQHPAFZPQ-GXSJLCMTSA-N 1 2 231.311 1.396 20 0 BDADLO CC1(F)C[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC001209097842 969354848 /nfs/dbraw/zinc/35/48/48/969354848.db2.gz GKJGMMZJODRQHV-UHFFFAOYSA-N 1 2 243.322 1.964 20 0 BDADLO COc1cc[nH+]cc1NC[C@H](O)C(C)C ZINC001253753573 969369396 /nfs/dbraw/zinc/36/93/96/969369396.db2.gz PIHKFRHIBUXVFN-JTQLQIEISA-N 1 2 210.277 1.519 20 0 BDADLO Cc1cc(NCC2OCCO2)[nH+]c2cc[nH]c21 ZINC001169066218 969378283 /nfs/dbraw/zinc/37/82/83/969378283.db2.gz ZPFSXLXRLMWHPO-UHFFFAOYSA-N 1 2 233.271 1.656 20 0 BDADLO Cc1c[nH+]cc(NCC2OCCO2)c1C ZINC001169067821 969381151 /nfs/dbraw/zinc/38/11/51/969381151.db2.gz VNFWPAMOXAOETN-UHFFFAOYSA-N 1 2 208.261 1.483 20 0 BDADLO COCCN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001209215522 969401613 /nfs/dbraw/zinc/40/16/13/969401613.db2.gz OGNKNNPOFFVRNT-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO CC(=O)[C@H]1C[N@H+](CCc2cccs2)CCO1 ZINC001209227895 969410903 /nfs/dbraw/zinc/41/09/03/969410903.db2.gz CFRJNYUAALOIDP-GFCCVEGCSA-N 1 2 239.340 1.580 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](CCc2cccs2)CCO1 ZINC001209227895 969410905 /nfs/dbraw/zinc/41/09/05/969410905.db2.gz CFRJNYUAALOIDP-GFCCVEGCSA-N 1 2 239.340 1.580 20 0 BDADLO Fc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1F ZINC001209243697 969414883 /nfs/dbraw/zinc/41/48/83/969414883.db2.gz LEXKOHATVOBSKC-QWRGUYRKSA-N 1 2 239.265 1.980 20 0 BDADLO Fc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CO3)cc1F ZINC001209243697 969414887 /nfs/dbraw/zinc/41/48/87/969414887.db2.gz LEXKOHATVOBSKC-QWRGUYRKSA-N 1 2 239.265 1.980 20 0 BDADLO O=C1C[C@@H](Nc2ccn3cc[nH+]c3c2)CO1 ZINC001169121659 969416674 /nfs/dbraw/zinc/41/66/74/969416674.db2.gz OKPSADBLTLBDKH-SECBINFHSA-N 1 2 217.228 1.062 20 0 BDADLO COC1C[NH+](CCOc2ccccc2)C1 ZINC001209296222 969431082 /nfs/dbraw/zinc/43/10/82/969431082.db2.gz KICNKTUTNGUYRO-UHFFFAOYSA-N 1 2 207.273 1.396 20 0 BDADLO C[C@@H]1CC(C[NH+]2CC(F)C2)C[C@@H](C)O1 ZINC001209380137 969452967 /nfs/dbraw/zinc/45/29/67/969452967.db2.gz VSXKFUYUYNVEOB-RKDXNWHRSA-N 1 2 201.285 1.844 20 0 BDADLO CC[C@H](C)[C@H](Nc1ccc(NC)[nH+]c1)C(N)=O ZINC001169156157 969471568 /nfs/dbraw/zinc/47/15/68/969471568.db2.gz GJJPJUVNTSCABA-KWQFWETISA-N 1 2 236.319 1.435 20 0 BDADLO C[C@@H]1CC(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)C[C@@H](C)O1 ZINC001209403241 969473451 /nfs/dbraw/zinc/47/34/51/969473451.db2.gz NFRJWZRKHGZBRV-LSKIRQOJSA-N 1 2 239.315 1.190 20 0 BDADLO C[C@@H]1CC(C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)C[C@@H](C)O1 ZINC001209403241 969473457 /nfs/dbraw/zinc/47/34/57/969473457.db2.gz NFRJWZRKHGZBRV-LSKIRQOJSA-N 1 2 239.315 1.190 20 0 BDADLO CC[NH+]1CCC([NH2+]Cc2ccnnc2)CC1 ZINC001169225372 969493378 /nfs/dbraw/zinc/49/33/78/969493378.db2.gz UMUFYRRNUMTLCQ-UHFFFAOYSA-N 1 2 220.320 1.051 20 0 BDADLO c1nc(C[NH+]2CC3(COC3)C2)cc2c1OCCC2 ZINC001209501056 969528517 /nfs/dbraw/zinc/52/85/17/969528517.db2.gz ZAMKNLPIAJNYKE-UHFFFAOYSA-N 1 2 246.310 1.239 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)[nH]1 ZINC001209565928 969548655 /nfs/dbraw/zinc/54/86/55/969548655.db2.gz DZMHSGHPHPNYRX-SECBINFHSA-N 1 2 206.289 1.734 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)[nH]1 ZINC001209565928 969548659 /nfs/dbraw/zinc/54/86/59/969548659.db2.gz DZMHSGHPHPNYRX-SECBINFHSA-N 1 2 206.289 1.734 20 0 BDADLO c1cc(C[NH+]2CCC(c3ncccn3)CC2)no1 ZINC001209564771 969548989 /nfs/dbraw/zinc/54/89/89/969548989.db2.gz VSICQHMQXOUTQC-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3cncc3C2)[nH]1 ZINC001209573855 969557671 /nfs/dbraw/zinc/55/76/71/969557671.db2.gz BWPXVGUXLDUSHK-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3cncc3C2)[nH]1 ZINC001209573855 969557679 /nfs/dbraw/zinc/55/76/79/969557679.db2.gz BWPXVGUXLDUSHK-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO O=S1(=O)CC[C@@H]([NH+]2Cc3ccccc3C2)C1 ZINC001254328844 969560538 /nfs/dbraw/zinc/56/05/38/969560538.db2.gz WWYONPBKRYOCPD-GFCCVEGCSA-N 1 2 237.324 1.189 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3c(ncn3C)C2)[nH]1 ZINC001209578197 969562678 /nfs/dbraw/zinc/56/26/78/969562678.db2.gz HXFKLCDXSHBLTD-UHFFFAOYSA-N 1 2 230.315 1.615 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3c(ncn3C)C2)[nH]1 ZINC001209578197 969562682 /nfs/dbraw/zinc/56/26/82/969562682.db2.gz HXFKLCDXSHBLTD-UHFFFAOYSA-N 1 2 230.315 1.615 20 0 BDADLO F[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCC1(F)F ZINC001254377336 969595931 /nfs/dbraw/zinc/59/59/31/969595931.db2.gz FSUPMIHFHWZGRG-BDAKNGLRSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@H]1C[N@H+]([C@@H]2CCCOC2)CCC1(F)F ZINC001254377336 969595938 /nfs/dbraw/zinc/59/59/38/969595938.db2.gz FSUPMIHFHWZGRG-BDAKNGLRSA-N 1 2 223.238 1.845 20 0 BDADLO Cn1cc(C[N@@H+]2CCC23COC3)c2cccnc21 ZINC001209748641 969601497 /nfs/dbraw/zinc/60/14/97/969601497.db2.gz JBKKOGBUBGRUFQ-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO Cn1cc(C[N@H+]2CCC23COC3)c2cccnc21 ZINC001209748641 969601503 /nfs/dbraw/zinc/60/15/03/969601503.db2.gz JBKKOGBUBGRUFQ-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO c1cncc(OC2C[NH+]([C@H]3CCCOC3)C2)c1 ZINC001254384961 969603313 /nfs/dbraw/zinc/60/33/13/969603313.db2.gz WCIMBLONJFLOCH-NSHDSACASA-N 1 2 234.299 1.324 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1cnccn1)C2 ZINC001209783599 969618202 /nfs/dbraw/zinc/61/82/02/969618202.db2.gz YKSBPFMFBZJNSY-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1cnccn1)C2 ZINC001209783599 969618210 /nfs/dbraw/zinc/61/82/10/969618210.db2.gz YKSBPFMFBZJNSY-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Cc1ncccc1-c1noc(Cn2cc[nH+]c2)n1 ZINC000350379463 969636326 /nfs/dbraw/zinc/63/63/26/969636326.db2.gz URPZNMILBDTZKX-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO CS(=O)(=O)C1C[NH+](C2CCC3(CC3)CC2)C1 ZINC001254448117 969639077 /nfs/dbraw/zinc/63/90/77/969639077.db2.gz PZUWCVMVEZRAAX-UHFFFAOYSA-N 1 2 243.372 1.438 20 0 BDADLO c1cn2c(cccc2Nc2ccnnc2)[nH+]1 ZINC001209954575 969712778 /nfs/dbraw/zinc/71/27/78/969712778.db2.gz KUJGJUMOMRQILO-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO Cc1cc([NH2+][C@@H]2CCC(=O)N(C)C2)ccc1N ZINC000084062481 969767710 /nfs/dbraw/zinc/76/77/10/969767710.db2.gz QYJXGWWQRVVFPD-LLVKDONJSA-N 1 2 233.315 1.610 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CC3CCN(CC3)C2)nc1 ZINC001254832204 969792207 /nfs/dbraw/zinc/79/22/07/969792207.db2.gz CRRQAJDPEMGPST-ZDUSSCGKSA-N 1 2 246.358 1.359 20 0 BDADLO COc1cc(C)c[nH+]c1NCC(=O)N1CCCC1 ZINC001156346804 969795079 /nfs/dbraw/zinc/79/50/79/969795079.db2.gz NONVQMUMLWBNRT-UHFFFAOYSA-N 1 2 249.314 1.433 20 0 BDADLO Cc1nnc(SCCCn2cc[nH+]c2)o1 ZINC001254869889 969816203 /nfs/dbraw/zinc/81/62/03/969816203.db2.gz OZHARPHTEPBXTJ-UHFFFAOYSA-N 1 2 224.289 1.757 20 0 BDADLO C[C@H]1CCC[C@@H]1OCC[NH+]1CCOCC1 ZINC001210190980 969825468 /nfs/dbraw/zinc/82/54/68/969825468.db2.gz BAPYZQZJSVPSAK-RYUDHWBXSA-N 1 2 213.321 1.524 20 0 BDADLO COc1nn(C)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210284797 969851220 /nfs/dbraw/zinc/85/12/20/969851220.db2.gz KDEJHEKOQWJMIK-UHFFFAOYSA-N 1 2 233.275 1.458 20 0 BDADLO Cc1[nH+]cc(Nc2cncnc2)cc1N ZINC001210285770 969853726 /nfs/dbraw/zinc/85/37/26/969853726.db2.gz RECCAYRQUYHGOQ-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO Cc1[nH+]cc(Nc2cnc3cccnn32)cc1N ZINC001210289097 969856805 /nfs/dbraw/zinc/85/68/05/969856805.db2.gz UPBVWJDTOUBPLU-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO Cc1cnn(CCO)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210289251 969857122 /nfs/dbraw/zinc/85/71/22/969857122.db2.gz ZBSSGTGKKBJJOT-UHFFFAOYSA-N 1 2 247.302 1.213 20 0 BDADLO CCc1nnc(C2CN(c3cccc[nH+]3)C2)o1 ZINC001255078778 969871157 /nfs/dbraw/zinc/87/11/57/969871157.db2.gz CMHTYVCUJHIEJQ-UHFFFAOYSA-N 1 2 230.271 1.631 20 0 BDADLO FC1(F)C[NH2+]CCN(C2CCSCC2)C1 ZINC001255087606 969920879 /nfs/dbraw/zinc/92/08/79/969920879.db2.gz DWEFAQABCNHQGB-UHFFFAOYSA-N 1 2 236.331 1.423 20 0 BDADLO FC1(F)CNCC[N@@H+](C2CCSCC2)C1 ZINC001255087606 969920890 /nfs/dbraw/zinc/92/08/90/969920890.db2.gz DWEFAQABCNHQGB-UHFFFAOYSA-N 1 2 236.331 1.423 20 0 BDADLO FC1(F)CNCC[N@H+](C2CCSCC2)C1 ZINC001255087606 969920900 /nfs/dbraw/zinc/92/09/00/969920900.db2.gz DWEFAQABCNHQGB-UHFFFAOYSA-N 1 2 236.331 1.423 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc[nH+]c(OC(C)C)c1 ZINC001169983881 969932732 /nfs/dbraw/zinc/93/27/32/969932732.db2.gz MBDSBTTZCWVTFC-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO CC(C)[NH+]1CC(OCC(=O)c2ccccc2O)C1 ZINC001210574169 969948717 /nfs/dbraw/zinc/94/87/17/969948717.db2.gz RONBRRRNHXOQQK-UHFFFAOYSA-N 1 2 249.310 1.684 20 0 BDADLO C[C@@H](c1nc(-c2cncs2)no1)n1cc[nH+]c1 ZINC000350896829 969960751 /nfs/dbraw/zinc/96/07/51/969960751.db2.gz FBPJNZCNGKSVDL-ZETCQYMHSA-N 1 2 247.283 1.999 20 0 BDADLO Nc1cc(CNc2ncccc2F)cc[nH+]1 ZINC001156756419 969995572 /nfs/dbraw/zinc/99/55/72/969995572.db2.gz XWENPSXKGHAHRS-UHFFFAOYSA-N 1 2 218.235 1.810 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109608558 970005026 /nfs/dbraw/zinc/00/50/26/970005026.db2.gz UUWSUZCXEOQZKV-RCWTZXSCSA-N 1 2 246.301 1.426 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109608558 970005032 /nfs/dbraw/zinc/00/50/32/970005032.db2.gz UUWSUZCXEOQZKV-RCWTZXSCSA-N 1 2 246.301 1.426 20 0 BDADLO C/C=C(\C)n1c(N)[nH+]cc1C(=O)OCC ZINC001210791683 970029466 /nfs/dbraw/zinc/02/94/66/970029466.db2.gz AXVYIFAZOKPPIE-QPJJXVBHSA-N 1 2 209.249 1.523 20 0 BDADLO CC1(C)CCC([NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC001255307316 970069616 /nfs/dbraw/zinc/06/96/16/970069616.db2.gz YXPVUXZHQAVVRW-UHFFFAOYSA-N 1 2 245.388 1.684 20 0 BDADLO CCCC[C@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001255314343 970086986 /nfs/dbraw/zinc/08/69/86/970086986.db2.gz JDTPWGSFECOSSY-QWRGUYRKSA-N 1 2 245.363 1.857 20 0 BDADLO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)c(C)nn1 ZINC000720587481 970170507 /nfs/dbraw/zinc/17/05/07/970170507.db2.gz LDBFAEFQVNGSCK-UHFFFAOYSA-N 1 2 235.331 1.296 20 0 BDADLO CN1CCC[C@@H]([NH2+][C@H]2NC(=O)c3ccccc32)C1 ZINC001255472566 970202969 /nfs/dbraw/zinc/20/29/69/970202969.db2.gz BQANPRSIUOIPIB-MFKMUULPSA-N 1 2 245.326 1.112 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1NC(=O)C2 ZINC001243069374 970264307 /nfs/dbraw/zinc/26/43/07/970264307.db2.gz QYVOQIUHQKWLRS-UHFFFAOYSA-N 1 2 213.240 1.582 20 0 BDADLO Nc1cn(-c2ccc(-c3[nH]cc[nH+]3)cc2)nc1N ZINC001213086255 970274895 /nfs/dbraw/zinc/27/48/95/970274895.db2.gz KQSWJVNXVABMDQ-UHFFFAOYSA-N 1 2 240.270 1.427 20 0 BDADLO COC(=O)[C@H](N)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243071535 970279386 /nfs/dbraw/zinc/27/93/86/970279386.db2.gz VBKABDUUVMZNQN-GFCCVEGCSA-N 1 2 245.282 1.260 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC001255523503 970279260 /nfs/dbraw/zinc/27/92/60/970279260.db2.gz BPMKAGWADMANGD-VIFPVBQESA-N 1 2 227.304 1.239 20 0 BDADLO COC[C@@H](C)[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001255568475 970363417 /nfs/dbraw/zinc/36/34/17/970363417.db2.gz VOULWLNMSZTPQR-SECBINFHSA-N 1 2 244.335 1.230 20 0 BDADLO C[C@@H]1CC[C@@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001170130365 970389639 /nfs/dbraw/zinc/38/96/39/970389639.db2.gz FSCZBXZRSXONDR-NXEZZACHSA-N 1 2 218.291 1.716 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@H](C)CC(F)(F)F ZINC001255646864 970424698 /nfs/dbraw/zinc/42/46/98/970424698.db2.gz QUSPKGIEJACIFB-SSDOTTSWSA-N 1 2 226.242 1.395 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@H](C)CC(F)(F)F ZINC001255646864 970424704 /nfs/dbraw/zinc/42/47/04/970424704.db2.gz QUSPKGIEJACIFB-SSDOTTSWSA-N 1 2 226.242 1.395 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(F)F)CCO1 ZINC001170164300 970516946 /nfs/dbraw/zinc/51/69/46/970516946.db2.gz HPYITBDKUPOBCE-DJLDLDEBSA-N 1 2 205.248 1.941 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+]C2(C(=O)OC)CCC2)CCO1 ZINC001170163841 970517113 /nfs/dbraw/zinc/51/71/13/970517113.db2.gz BJVFJWMESMPWFX-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]C2(C(=O)OC)CCC2)CCO1 ZINC001170163837 970518663 /nfs/dbraw/zinc/51/86/63/970518663.db2.gz BJVFJWMESMPWFX-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001170227840 970634618 /nfs/dbraw/zinc/63/46/18/970634618.db2.gz QCPWSXIFRYKRIJ-AXFHLTTASA-N 1 2 249.301 1.646 20 0 BDADLO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3[nH]ncc32)CO1 ZINC000401700363 970723248 /nfs/dbraw/zinc/72/32/48/970723248.db2.gz ZBKIAAMFMNZEDL-GXSJLCMTSA-N 1 2 235.331 1.944 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H](C)CCC(C)C)[C@@H](C)O ZINC001256354358 970747903 /nfs/dbraw/zinc/74/79/03/970747903.db2.gz IVVZRPHEPYNQGI-UTUOFQBUSA-N 1 2 245.363 1.713 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H](C)CCC(C)C)[C@@H](C)O ZINC001256356088 970753469 /nfs/dbraw/zinc/75/34/69/970753469.db2.gz IVVZRPHEPYNQGI-QJPTWQEYSA-N 1 2 245.363 1.713 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2cccc(O)c2C)C1 ZINC001144118826 972590133 /nfs/dbraw/zinc/59/01/33/972590133.db2.gz LXQKWORFWKLBHS-UHFFFAOYSA-N 1 2 248.326 1.363 20 0 BDADLO Cn1c[nH+]cc1COC[C@H]1CCCCO1 ZINC001222594314 972592696 /nfs/dbraw/zinc/59/26/96/972592696.db2.gz FKENZOZFLWKETI-LLVKDONJSA-N 1 2 210.277 1.506 20 0 BDADLO CC[C@H]1OC(=O)C(OCc2c[nH+]cn2C)=C1C ZINC001222595146 972592830 /nfs/dbraw/zinc/59/28/30/972592830.db2.gz QHXHIKGURIIELS-SNVBAGLBSA-N 1 2 236.271 1.546 20 0 BDADLO CCOC(=O)[C@@H](OCc1c[nH+]cn1C)C1CC1 ZINC001222600461 972598801 /nfs/dbraw/zinc/59/88/01/972598801.db2.gz PWGXPNZRJQEEFL-NSHDSACASA-N 1 2 238.287 1.278 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc[nH]n1 ZINC001327547017 972625748 /nfs/dbraw/zinc/62/57/48/972625748.db2.gz RECXOYQEEGGJPY-MXWKQRLJSA-N 1 2 220.320 1.958 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc[nH]n1 ZINC001327547017 972625755 /nfs/dbraw/zinc/62/57/55/972625755.db2.gz RECXOYQEEGGJPY-MXWKQRLJSA-N 1 2 220.320 1.958 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144168916 972666316 /nfs/dbraw/zinc/66/63/16/972666316.db2.gz QGSXAWCOZPFEPN-RYUDHWBXSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144168916 972666329 /nfs/dbraw/zinc/66/63/29/972666329.db2.gz QGSXAWCOZPFEPN-RYUDHWBXSA-N 1 2 249.289 1.732 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3cccnc3C2)nc1 ZINC001144262737 972716442 /nfs/dbraw/zinc/71/64/42/972716442.db2.gz FLIQRNLYFFCGKC-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3cccnc3C2)nc1 ZINC001144262737 972716451 /nfs/dbraw/zinc/71/64/51/972716451.db2.gz FLIQRNLYFFCGKC-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO c1nc(COC2C[NH+](Cc3ccccc3)C2)c[nH]1 ZINC001223000516 972794043 /nfs/dbraw/zinc/79/40/43/972794043.db2.gz OULJBPBMPNKSGG-UHFFFAOYSA-N 1 2 243.310 1.811 20 0 BDADLO CCOc1ccc[nH+]c1NCC[C@@H](C)CO ZINC001160608044 972818215 /nfs/dbraw/zinc/81/82/15/972818215.db2.gz MALICISJVWTBMU-SNVBAGLBSA-N 1 2 224.304 1.911 20 0 BDADLO CN(Cc1[nH+]cn2ccccc12)C1CC1 ZINC001144611459 972886259 /nfs/dbraw/zinc/88/62/59/972886259.db2.gz PDQZEALUVLKKCF-UHFFFAOYSA-N 1 2 201.273 1.929 20 0 BDADLO CCN(CCC(N)=O)Cc1[nH+]cn2ccccc12 ZINC001144622165 972895234 /nfs/dbraw/zinc/89/52/34/972895234.db2.gz DULQWZFEMNFSAM-UHFFFAOYSA-N 1 2 246.314 1.032 20 0 BDADLO Oc1cc(F)c(C[N@H+]2CCC[C@@H](O)C2)cc1F ZINC001144647094 972903798 /nfs/dbraw/zinc/90/37/98/972903798.db2.gz YNFKYQPBXUVYFN-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1cc(F)c(C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC001144647094 972903815 /nfs/dbraw/zinc/90/38/15/972903815.db2.gz YNFKYQPBXUVYFN-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647595 972906815 /nfs/dbraw/zinc/90/68/15/972906815.db2.gz IAULCKVYWSKICT-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647595 972906829 /nfs/dbraw/zinc/90/68/29/972906829.db2.gz IAULCKVYWSKICT-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO C[N@H+](Cc1cc(F)c(O)cc1F)[C@@H]1CCOC1 ZINC001144666437 972929008 /nfs/dbraw/zinc/92/90/08/972929008.db2.gz IMJAVACJYYOGFL-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1cc(F)c(O)cc1F)[C@@H]1CCOC1 ZINC001144666437 972929019 /nfs/dbraw/zinc/92/90/19/972929019.db2.gz IMJAVACJYYOGFL-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO Cc1cc(COC[C@H]2COC(=O)O2)cc(C)[nH+]1 ZINC001223419371 973050961 /nfs/dbraw/zinc/05/09/61/973050961.db2.gz CWVLMTWGSRCJNJ-NSHDSACASA-N 1 2 237.255 1.750 20 0 BDADLO Cc1cc(CO[C@H]2CO[C@H]3OCC[C@@H]23)cc(C)[nH+]1 ZINC001223422323 973058829 /nfs/dbraw/zinc/05/88/29/973058829.db2.gz WSISMLGMCBYNLK-MELADBBJSA-N 1 2 249.310 1.976 20 0 BDADLO CON(C(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001328582875 973158339 /nfs/dbraw/zinc/15/83/39/973158339.db2.gz FXSHJRHAZLFDQX-SNVBAGLBSA-N 1 2 225.292 1.633 20 0 BDADLO c1c(C[N@@H+]2CC[C@]23CCOC3)nn2c1CCC2 ZINC001328619503 973202458 /nfs/dbraw/zinc/20/24/58/973202458.db2.gz KNZGXMBJBUHYIY-CYBMUJFWSA-N 1 2 233.315 1.194 20 0 BDADLO c1c(C[N@H+]2CC[C@]23CCOC3)nn2c1CCC2 ZINC001328619503 973202482 /nfs/dbraw/zinc/20/24/82/973202482.db2.gz KNZGXMBJBUHYIY-CYBMUJFWSA-N 1 2 233.315 1.194 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C1CC=CC1 ZINC001146691506 973212542 /nfs/dbraw/zinc/21/25/42/973212542.db2.gz KPEAUZARRLRDHE-UHFFFAOYSA-N 1 2 228.295 1.897 20 0 BDADLO C[C@H](CC(=O)N1Cc2c[nH]nc2C1)n1cc[nH+]c1 ZINC001328705843 973288927 /nfs/dbraw/zinc/28/89/27/973288927.db2.gz XGGPVRRIVIBLPK-SECBINFHSA-N 1 2 245.286 1.100 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)c1cc[nH]c1 ZINC001146891696 973318719 /nfs/dbraw/zinc/31/87/19/973318719.db2.gz MJUOGQPPYMGTGU-UHFFFAOYSA-N 1 2 244.298 1.866 20 0 BDADLO C[C@H](C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001328794568 973348695 /nfs/dbraw/zinc/34/86/95/973348695.db2.gz AIBPJPPUDMFDEQ-GMTAPVOTSA-N 1 2 249.314 1.128 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccco1 ZINC001147082434 973418810 /nfs/dbraw/zinc/41/88/10/973418810.db2.gz AAUCHQSVWBOPBF-UHFFFAOYSA-N 1 2 228.251 1.838 20 0 BDADLO Cc1ccsc1C(=O)NCCc1[nH+]ccn1C ZINC001147121641 973425355 /nfs/dbraw/zinc/42/53/55/973425355.db2.gz KIZTXFHNJVQELK-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CS[C@@H](C)Cc1nnc(C[NH+](C)C)o1 ZINC001329075981 973466099 /nfs/dbraw/zinc/46/60/99/973466099.db2.gz YNWDHGSCFWKIQA-ZETCQYMHSA-N 1 2 215.322 1.425 20 0 BDADLO O=C1[C@H]([N@@H+]2Cc3ccncc3C2)CCN1C1CC1 ZINC001329106080 973483732 /nfs/dbraw/zinc/48/37/32/973483732.db2.gz KURYDWWJJJZUEP-CYBMUJFWSA-N 1 2 243.310 1.161 20 0 BDADLO O=C1[C@H]([N@H+]2Cc3ccncc3C2)CCN1C1CC1 ZINC001329106080 973483746 /nfs/dbraw/zinc/48/37/46/973483746.db2.gz KURYDWWJJJZUEP-CYBMUJFWSA-N 1 2 243.310 1.161 20 0 BDADLO CC[C@H](COC)NC(=O)c1cccc2[nH+]ccn21 ZINC001147752634 973753701 /nfs/dbraw/zinc/75/37/01/973753701.db2.gz RTHHABZOAKQDPU-SNVBAGLBSA-N 1 2 247.298 1.489 20 0 BDADLO CN(C[C@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329791841 973936183 /nfs/dbraw/zinc/93/61/83/973936183.db2.gz FHDFEYIXWYWCKH-GMTAPVOTSA-N 1 2 249.314 1.008 20 0 BDADLO CN(C[C@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329791841 973936200 /nfs/dbraw/zinc/93/62/00/973936200.db2.gz FHDFEYIXWYWCKH-GMTAPVOTSA-N 1 2 249.314 1.008 20 0 BDADLO CSCC[C@H](C)[N@H+](C)Cc1nnc[nH]1 ZINC001329875671 973987035 /nfs/dbraw/zinc/98/70/35/973987035.db2.gz CSRVKYZWIWBUNG-QMMMGPOBSA-N 1 2 214.338 1.378 20 0 BDADLO CSCC[C@H](C)[N@@H+](C)Cc1nnc[nH]1 ZINC001329875671 973987048 /nfs/dbraw/zinc/98/70/48/973987048.db2.gz CSRVKYZWIWBUNG-QMMMGPOBSA-N 1 2 214.338 1.378 20 0 BDADLO Cc1nc(NCCNC(=O)C[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001094089446 974044244 /nfs/dbraw/zinc/04/42/44/974044244.db2.gz WDPPDDRUUSQENL-KOLCDFICSA-N 1 2 248.330 1.359 20 0 BDADLO CC[C@H](F)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094039389 974044851 /nfs/dbraw/zinc/04/48/51/974044851.db2.gz KNTPCKMWEWNWHT-VIFPVBQESA-N 1 2 240.282 1.061 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)[C@@]12C[C@@H]1CCCC2 ZINC001329949851 974050403 /nfs/dbraw/zinc/05/04/03/974050403.db2.gz FZVAWTKAODVGJM-FZMZJTMJSA-N 1 2 245.326 1.806 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)Nc2ccccc2)c1 ZINC000170281298 974066862 /nfs/dbraw/zinc/06/68/62/974066862.db2.gz PEKMHAQZNHPOBM-UHFFFAOYSA-N 1 2 244.298 1.784 20 0 BDADLO OC1C[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171475973 974085748 /nfs/dbraw/zinc/08/57/48/974085748.db2.gz IJCATGTYCXCKFE-SNVBAGLBSA-N 1 2 239.265 1.499 20 0 BDADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC001330688702 974421013 /nfs/dbraw/zinc/42/10/13/974421013.db2.gz ZRNPNBXTSGDIGX-SNVBAGLBSA-N 1 2 237.347 1.573 20 0 BDADLO CC1(F)C[NH+]([C@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172163390 974423293 /nfs/dbraw/zinc/42/32/93/974423293.db2.gz PEVNBELUEIKELC-UWVGGRQHSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1CC[C@@H]2C[C@H]([NH+]3C[C@@H](F)[C@H](F)C3)CCN12 ZINC001172161423 974424007 /nfs/dbraw/zinc/42/40/07/974424007.db2.gz HNHNPILCGUJODP-GWOFURMSSA-N 1 2 244.285 1.132 20 0 BDADLO COC(=O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC001172216046 974440313 /nfs/dbraw/zinc/44/03/13/974440313.db2.gz BUQGHXONTRXVTP-FGWVZKOKSA-N 1 2 239.315 1.382 20 0 BDADLO C[C@H]1C[C@H](C(=O)NCc2c[nH+]cn2C)CCC1=O ZINC001330751346 974454808 /nfs/dbraw/zinc/45/48/08/974454808.db2.gz GPHOEZKJMVTRNR-VHSXEESVSA-N 1 2 249.314 1.042 20 0 BDADLO CS[C@@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001330789592 974471213 /nfs/dbraw/zinc/47/12/13/974471213.db2.gz NCBGVPSNWBJQTC-NXEZZACHSA-N 1 2 239.344 1.408 20 0 BDADLO COC(=O)c1cc(OC2C[NH+](C)C2)ccc1C ZINC001225437788 974490000 /nfs/dbraw/zinc/49/00/00/974490000.db2.gz RIWGNDLZGLMCGH-UHFFFAOYSA-N 1 2 235.283 1.474 20 0 BDADLO CCc1ncccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001225458249 974505654 /nfs/dbraw/zinc/50/56/54/974505654.db2.gz VXOGUMRHVSRLSR-NSHDSACASA-N 1 2 236.315 1.353 20 0 BDADLO CCc1ncccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001225458249 974505658 /nfs/dbraw/zinc/50/56/58/974505658.db2.gz VXOGUMRHVSRLSR-NSHDSACASA-N 1 2 236.315 1.353 20 0 BDADLO COCCC[NH+]1CCC([NH2+]C2=CC=C[CH]2)CC1 ZINC001172247340 974513594 /nfs/dbraw/zinc/51/35/94/974513594.db2.gz IISXFSVZLMSISB-UHFFFAOYSA-N 1 2 235.351 1.735 20 0 BDADLO CON(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001331103782 974600575 /nfs/dbraw/zinc/60/05/75/974600575.db2.gz OXPZPBMJDLCJTQ-JTQLQIEISA-N 1 2 237.303 1.244 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001331109286 974603819 /nfs/dbraw/zinc/60/38/19/974603819.db2.gz JYVBQMYWKBNCLP-NSHDSACASA-N 1 2 208.261 1.348 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@]12CCOC2 ZINC001331109286 974603823 /nfs/dbraw/zinc/60/38/23/974603823.db2.gz JYVBQMYWKBNCLP-NSHDSACASA-N 1 2 208.261 1.348 20 0 BDADLO Cc1ccc(OC2C[NH+](C(C)C)C2)nn1 ZINC001225640657 974613221 /nfs/dbraw/zinc/61/32/21/974613221.db2.gz PTOUBNCAAKINHK-UHFFFAOYSA-N 1 2 207.277 1.256 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1nncn1C ZINC001331261612 974663181 /nfs/dbraw/zinc/66/31/81/974663181.db2.gz ISEPJHMOTCSBQM-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](CF)C1)n1cc[nH+]c1 ZINC001331259036 974663540 /nfs/dbraw/zinc/66/35/40/974663540.db2.gz WPGRQDDDDBJOTF-ZJUUUORDSA-N 1 2 225.267 1.262 20 0 BDADLO C[NH+]1CC(Oc2ccnc3[nH]ccc32)C1 ZINC001226098603 974789260 /nfs/dbraw/zinc/78/92/60/974789260.db2.gz ZXDFLQUMZJQINN-UHFFFAOYSA-N 1 2 203.245 1.207 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)CCOC(C)C ZINC001172438205 974793234 /nfs/dbraw/zinc/79/32/34/974793234.db2.gz MSGJGKXQXIPFDT-UWVGGRQHSA-N 1 2 217.309 1.341 20 0 BDADLO CC1([NH2+]Cc2nc(-c3ccccc3)c[nH]2)COC1 ZINC001331745143 974812106 /nfs/dbraw/zinc/81/21/06/974812106.db2.gz XZYGYOFGBPFJAO-UHFFFAOYSA-N 1 2 243.310 1.955 20 0 BDADLO Cc1cc(=O)[nH]c(O[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC001226154958 974812338 /nfs/dbraw/zinc/81/23/38/974812338.db2.gz BJOIKKCPMOGEQU-SNVBAGLBSA-N 1 2 237.303 1.352 20 0 BDADLO Cc1cc(=O)[nH]c(O[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC001226154958 974812339 /nfs/dbraw/zinc/81/23/39/974812339.db2.gz BJOIKKCPMOGEQU-SNVBAGLBSA-N 1 2 237.303 1.352 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3cc[nH]c32)C1 ZINC001226404437 974885749 /nfs/dbraw/zinc/88/57/49/974885749.db2.gz UDGILDFUOVHIFX-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO C[NH+]1CC(Oc2[nH]c(=O)nc3ccc(F)cc32)C1 ZINC001226407893 974887777 /nfs/dbraw/zinc/88/77/77/974887777.db2.gz ALLKPYFSQIOVEP-UHFFFAOYSA-N 1 2 249.245 1.167 20 0 BDADLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(F)F ZINC001331988509 974907877 /nfs/dbraw/zinc/90/78/77/974907877.db2.gz BZNHCCLOTZIXGB-YUMQZZPRSA-N 1 2 231.246 1.604 20 0 BDADLO CC(C)[NH+]1CC(Oc2cc(Cl)ncn2)C1 ZINC001226641004 974991337 /nfs/dbraw/zinc/99/13/37/974991337.db2.gz OKHFHFQUSPFALV-UHFFFAOYSA-N 1 2 227.695 1.601 20 0 BDADLO Nc1ccnn1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001212692133 975001046 /nfs/dbraw/zinc/00/10/46/975001046.db2.gz CINZNTFUMQNPDC-UHFFFAOYSA-N 1 2 239.282 1.699 20 0 BDADLO CC[C@](C)(C[NH2+]Cc1c[nH+]c(C)n1C)C(=O)[O-] ZINC001332473337 975152227 /nfs/dbraw/zinc/15/22/27/975152227.db2.gz KMAMRGGJDMEIDP-GFCCVEGCSA-N 1 2 239.319 1.319 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCCn2nncc2C1 ZINC001332673935 975248305 /nfs/dbraw/zinc/24/83/05/975248305.db2.gz NEBSJUFVMNQHKZ-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO Cc1cccnc1C[N@H+]1CCCn2nncc2C1 ZINC001332673935 975248315 /nfs/dbraw/zinc/24/83/15/975248315.db2.gz NEBSJUFVMNQHKZ-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO CCN1CC[C@@H]([NH2+]Cc2ncc(F)cc2F)C1 ZINC001173350572 975295479 /nfs/dbraw/zinc/29/54/79/975295479.db2.gz NFDVGEUOPDHEMQ-SNVBAGLBSA-N 1 2 241.285 1.544 20 0 BDADLO Cc1cccc([C@H](O)C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001332937231 975331119 /nfs/dbraw/zinc/33/11/19/975331119.db2.gz KCGASGGHEJJUSN-SWLSCSKDSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1cccc([C@H](O)C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001332937231 975331131 /nfs/dbraw/zinc/33/11/31/975331131.db2.gz KCGASGGHEJJUSN-SWLSCSKDSA-N 1 2 247.338 1.939 20 0 BDADLO FCc1ccccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC001333007854 975370912 /nfs/dbraw/zinc/37/09/12/975370912.db2.gz AFQLIKMUTFVAFG-UHFFFAOYSA-N 1 2 246.289 1.833 20 0 BDADLO FCc1ccccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC001333007854 975370917 /nfs/dbraw/zinc/37/09/17/975370917.db2.gz AFQLIKMUTFVAFG-UHFFFAOYSA-N 1 2 246.289 1.833 20 0 BDADLO CC(=O)Nc1cccc(OC2C[NH+](C)C2)c1 ZINC001227421298 975392429 /nfs/dbraw/zinc/39/24/29/975392429.db2.gz HFIHFNADOZJCLW-UHFFFAOYSA-N 1 2 220.272 1.338 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(CO)on1 ZINC001333559112 975850586 /nfs/dbraw/zinc/85/05/86/975850586.db2.gz NUUGJQYZGHMXOB-VIFPVBQESA-N 1 2 235.287 1.356 20 0 BDADLO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2C1)n1cc[nH+]c1 ZINC001333574704 975859484 /nfs/dbraw/zinc/85/94/84/975859484.db2.gz QDTJNBXTGAPWDD-UTUOFQBUSA-N 1 2 233.315 1.703 20 0 BDADLO c1nnc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)[nH]1 ZINC001333588289 975870132 /nfs/dbraw/zinc/87/01/32/975870132.db2.gz VJZVUYKBRBOHBD-UWVGGRQHSA-N 1 2 238.360 1.665 20 0 BDADLO c1nnc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)[nH]1 ZINC001333588289 975870137 /nfs/dbraw/zinc/87/01/37/975870137.db2.gz VJZVUYKBRBOHBD-UWVGGRQHSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)n[nH]1 ZINC001333588289 975870139 /nfs/dbraw/zinc/87/01/39/975870139.db2.gz VJZVUYKBRBOHBD-UWVGGRQHSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)n[nH]1 ZINC001333588289 975870141 /nfs/dbraw/zinc/87/01/41/975870141.db2.gz VJZVUYKBRBOHBD-UWVGGRQHSA-N 1 2 238.360 1.665 20 0 BDADLO C[C@@H](C(=O)NC/C=C/Cl)n1cc[nH+]c1 ZINC001333624651 975897989 /nfs/dbraw/zinc/89/79/89/975897989.db2.gz HCUYWMCKBJGHFX-SGJFDWMWSA-N 1 2 213.668 1.313 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@H](C3CCC3)C2)[nH]1 ZINC001333621365 975898311 /nfs/dbraw/zinc/89/83/11/975898311.db2.gz BWUMHLFZYCMKOT-NSHDSACASA-N 1 2 220.320 1.817 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@H](C3CCC3)C2)[nH]1 ZINC001333621365 975898318 /nfs/dbraw/zinc/89/83/18/975898318.db2.gz BWUMHLFZYCMKOT-NSHDSACASA-N 1 2 220.320 1.817 20 0 BDADLO N=c1ccc(Cl)c(N)n1-c1cc[nH+]cc1 ZINC001173881224 975914753 /nfs/dbraw/zinc/91/47/53/975914753.db2.gz HLLUUZNQWDDKBK-UHFFFAOYSA-N 1 2 220.663 1.587 20 0 BDADLO N=c1ccc(F)c(N)n1-c1cc[nH+]cc1 ZINC001173881967 975930522 /nfs/dbraw/zinc/93/05/22/975930522.db2.gz PQOPGDUHFJNMMR-UHFFFAOYSA-N 1 2 204.208 1.073 20 0 BDADLO CNc1cc(N[C@@H](CCO)CSC)nc[nH+]1 ZINC001333658797 975944736 /nfs/dbraw/zinc/94/47/36/975944736.db2.gz ZKUVOXQSCKNKOR-QMMMGPOBSA-N 1 2 242.348 1.044 20 0 BDADLO CNc1cc(N[C@@H](CCO)CSC)[nH+]cn1 ZINC001333658797 975944756 /nfs/dbraw/zinc/94/47/56/975944756.db2.gz ZKUVOXQSCKNKOR-QMMMGPOBSA-N 1 2 242.348 1.044 20 0 BDADLO Cc1c(C)c(=O)[nH]nc1OC1C[NH+](C(C)C)C1 ZINC001228148920 975951356 /nfs/dbraw/zinc/95/13/56/975951356.db2.gz BZBAWOHRRYWMLP-UHFFFAOYSA-N 1 2 237.303 1.270 20 0 BDADLO Cc1cnnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC001333698267 976003185 /nfs/dbraw/zinc/00/31/85/976003185.db2.gz UHJVERKMQXNHEG-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO CCc1cc(C[NH2+]Cc2ocnc2C)[nH]n1 ZINC001333705025 976016122 /nfs/dbraw/zinc/01/61/22/976016122.db2.gz LSMSLWXULURPNK-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO C[C@@H]1C[N@H+](CCCC(F)(F)F)CC(=O)N1C ZINC001333732452 976037624 /nfs/dbraw/zinc/03/76/24/976037624.db2.gz IVJDXUDEOTWBJS-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@@H]1C[N@@H+](CCCC(F)(F)F)CC(=O)N1C ZINC001333732452 976037640 /nfs/dbraw/zinc/03/76/40/976037640.db2.gz IVJDXUDEOTWBJS-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO C[N@H+](CCCC(F)(F)F)C1CS(=O)(=O)C1 ZINC001333790218 976084010 /nfs/dbraw/zinc/08/40/10/976084010.db2.gz MBGOOWREJLPMRW-UHFFFAOYSA-N 1 2 245.266 1.058 20 0 BDADLO C[N@@H+](CCCC(F)(F)F)C1CS(=O)(=O)C1 ZINC001333790218 976084024 /nfs/dbraw/zinc/08/40/24/976084024.db2.gz MBGOOWREJLPMRW-UHFFFAOYSA-N 1 2 245.266 1.058 20 0 BDADLO Cc1noc2ncnc(OC3C[NH+](C(C)C)C3)c12 ZINC001228305197 976090896 /nfs/dbraw/zinc/09/08/96/976090896.db2.gz XDKYTZXIDQGQQA-UHFFFAOYSA-N 1 2 248.286 1.398 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1C1=CCCC1 ZINC001173997443 976137433 /nfs/dbraw/zinc/13/74/33/976137433.db2.gz YGZOYHHWZPINJY-UHFFFAOYSA-N 1 2 221.260 1.667 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC001228383025 976172470 /nfs/dbraw/zinc/17/24/70/976172470.db2.gz OPAHOTQLTPUEMY-NSHDSACASA-N 1 2 239.290 1.844 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC001228383025 976172480 /nfs/dbraw/zinc/17/24/80/976172480.db2.gz OPAHOTQLTPUEMY-NSHDSACASA-N 1 2 239.290 1.844 20 0 BDADLO Cc1cc(O)c[nH+]c1Nc1cccc(C(N)=O)c1 ZINC001174056605 976206024 /nfs/dbraw/zinc/20/60/24/976206024.db2.gz PJUDHSVUOYUMOC-UHFFFAOYSA-N 1 2 243.266 1.938 20 0 BDADLO C[NH+]1CC(Oc2n[nH]c3ccccc32)C1 ZINC001228522181 976274386 /nfs/dbraw/zinc/27/43/86/976274386.db2.gz SFPNZVZJGIKFRV-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO Cc1cc(=O)[nH]c(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001334205687 976378837 /nfs/dbraw/zinc/37/88/37/976378837.db2.gz NZZHGWORUNQCHN-SECBINFHSA-N 1 2 246.270 1.492 20 0 BDADLO COc1c[nH]nc1NC(=O)CCCn1cc[nH+]c1 ZINC001334223374 976385509 /nfs/dbraw/zinc/38/55/09/976385509.db2.gz PIEOCCHNTHJMCW-UHFFFAOYSA-N 1 2 249.274 1.034 20 0 BDADLO c1cc(CC[N@@H+]2CCn3cncc3C2)sn1 ZINC001334259031 976409503 /nfs/dbraw/zinc/40/95/03/976409503.db2.gz VEJYWEIUYNFYCJ-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO c1cc(CC[N@H+]2CCn3cncc3C2)sn1 ZINC001334259031 976409514 /nfs/dbraw/zinc/40/95/14/976409514.db2.gz VEJYWEIUYNFYCJ-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO C[C@@H](C(=O)N(C)CCCF)n1cc[nH+]c1 ZINC001334379228 976478158 /nfs/dbraw/zinc/47/81/58/976478158.db2.gz PYJXAPUYMWRNNC-VIFPVBQESA-N 1 2 213.256 1.262 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cnoc1C1CC1 ZINC001334439279 976521433 /nfs/dbraw/zinc/52/14/33/976521433.db2.gz YUJPZLGXWOUCIR-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc[nH]1 ZINC001334693646 976590933 /nfs/dbraw/zinc/59/09/33/976590933.db2.gz YFOMTTHHCVHZKL-FGWVZKOKSA-N 1 2 238.310 1.907 20 0 BDADLO FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc[nH]1 ZINC001334693646 976590944 /nfs/dbraw/zinc/59/09/44/976590944.db2.gz YFOMTTHHCVHZKL-FGWVZKOKSA-N 1 2 238.310 1.907 20 0 BDADLO C[C@@H](C(=O)NC[C@@]1(C)CC1(F)F)n1cc[nH+]c1 ZINC001334783182 976655595 /nfs/dbraw/zinc/65/55/95/976655595.db2.gz SLJIHYXTPJWSQR-WCBMZHEXSA-N 1 2 243.257 1.606 20 0 BDADLO COCCOc1ccc(OC2C[NH+](C)C2)cc1 ZINC001229577254 976900658 /nfs/dbraw/zinc/90/06/58/976900658.db2.gz QCUXVQIKPWNYAS-UHFFFAOYSA-N 1 2 237.299 1.405 20 0 BDADLO Cc1cc(-n2c(C)cc(=O)c(N)c2C)cc[nH+]1 ZINC001174652829 976940674 /nfs/dbraw/zinc/94/06/74/976940674.db2.gz GIEQRIMIYPQETG-UHFFFAOYSA-N 1 2 229.283 1.740 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(C2CC2)cn1 ZINC001335346848 976982843 /nfs/dbraw/zinc/98/28/43/976982843.db2.gz YRSUOQKWMHVGMQ-UHFFFAOYSA-N 1 2 242.282 1.794 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CC=CC[C@H]1C)n1cc[nH+]c1 ZINC001335363450 976998798 /nfs/dbraw/zinc/99/87/98/976998798.db2.gz MMLLNAPCTYGKIW-GRYCIOLGSA-N 1 2 233.315 1.915 20 0 BDADLO O[C@H](C[NH2+]CC(F)F)CC1(O)CCCCC1 ZINC001335380879 977012481 /nfs/dbraw/zinc/01/24/81/977012481.db2.gz KVPHMPKMGZUWGX-VIFPVBQESA-N 1 2 237.290 1.287 20 0 BDADLO COc1cncc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001335741610 977254035 /nfs/dbraw/zinc/25/40/35/977254035.db2.gz MCWUVGTUGNLCSJ-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO CC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230812706 977342013 /nfs/dbraw/zinc/34/20/13/977342013.db2.gz YNMQJBLWTQNKDO-GHMZBOCLSA-N 1 2 230.327 1.535 20 0 BDADLO Cc1ccnnc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175341347 977362539 /nfs/dbraw/zinc/36/25/39/977362539.db2.gz HGDSFLXEEQXLTD-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO COC/C(C)=C\C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC001335927256 977367799 /nfs/dbraw/zinc/36/77/99/977367799.db2.gz IXVSNLSVCNDSBF-OUONCDGISA-N 1 2 245.388 1.420 20 0 BDADLO Oc1cc2c(cc1OC[C@H]1CCCO1)CC[NH+]=C2 ZINC001230920467 977382289 /nfs/dbraw/zinc/38/22/89/977382289.db2.gz NNJGDHVTSLNUFO-GFCCVEGCSA-N 1 2 247.294 1.925 20 0 BDADLO Nc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC000260295088 977385532 /nfs/dbraw/zinc/38/55/32/977385532.db2.gz YQWOTKSVTDWBPL-UHFFFAOYSA-N 1 2 200.245 1.990 20 0 BDADLO Cc1cncc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001175338468 977385548 /nfs/dbraw/zinc/38/55/48/977385548.db2.gz WEJKMBILONROMP-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO CN(C)c1ccc(Nc2ccno2)c[nH+]1 ZINC001175338654 977385740 /nfs/dbraw/zinc/38/57/40/977385740.db2.gz JJVBGVXWXVQNKP-UHFFFAOYSA-N 1 2 204.233 1.879 20 0 BDADLO Cc1nccnc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175338724 977385760 /nfs/dbraw/zinc/38/57/60/977385760.db2.gz LMOKVRQVIUUAPQ-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO COc1nccc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001175338464 977387728 /nfs/dbraw/zinc/38/77/28/977387728.db2.gz VYQIVIHZLZQMRQ-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO CC[NH+]1CC(Oc2cnc(Cl)nc2C)C1 ZINC001231028776 977433277 /nfs/dbraw/zinc/43/32/77/977433277.db2.gz VDPIYSCEBBFUSL-UHFFFAOYSA-N 1 2 227.695 1.521 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)C1(C)CC1)n1cc[nH+]c1 ZINC001336212251 977573206 /nfs/dbraw/zinc/57/32/06/977573206.db2.gz AHAHRNMSSMJOGX-ZJUUUORDSA-N 1 2 221.304 1.749 20 0 BDADLO c1[nH]c2cnccc2c1C[NH+]1CC2(CCO2)C1 ZINC001231521811 977627627 /nfs/dbraw/zinc/62/76/27/977627627.db2.gz OQBSQOFNPBTWLB-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO COCc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)o1 ZINC001231694062 977691342 /nfs/dbraw/zinc/69/13/42/977691342.db2.gz LZOHTEIOBOXRPG-ZDUSSCGKSA-N 1 2 237.299 1.979 20 0 BDADLO COCc1ccc(C[N@H+]2CCC[C@H]2C(C)=O)o1 ZINC001231694062 977691350 /nfs/dbraw/zinc/69/13/50/977691350.db2.gz LZOHTEIOBOXRPG-ZDUSSCGKSA-N 1 2 237.299 1.979 20 0 BDADLO COCC1C[NH+](Cc2cc(F)cnc2OC)C1 ZINC001231740554 977725331 /nfs/dbraw/zinc/72/53/31/977725331.db2.gz LEGOINKJNCTCBZ-UHFFFAOYSA-N 1 2 240.278 1.308 20 0 BDADLO Cc1cc(F)cc(N(C)[C@@H](C)C[S@](C)=O)[nH+]1 ZINC001336576109 977790205 /nfs/dbraw/zinc/79/02/05/977790205.db2.gz DVPVLHHSUZTYGE-FVMDXXJSSA-N 1 2 244.335 1.732 20 0 BDADLO COc1cnc(C[NH+]2CCSCC2)cn1 ZINC001231939349 977806783 /nfs/dbraw/zinc/80/67/83/977806783.db2.gz RRKKSGBDQVUABU-UHFFFAOYSA-N 1 2 225.317 1.034 20 0 BDADLO Cc1cc([N@H+]2C(=N)C=CC(F)=C2N)cc(C)c1N ZINC001175934171 977819900 /nfs/dbraw/zinc/81/99/00/977819900.db2.gz SFERWDUORYPHFI-UHFFFAOYSA-N 1 2 246.289 1.877 20 0 BDADLO Cc1cc([N@@H+]2C(=N)C=CC(F)=C2N)cc(C)c1N ZINC001175934171 977819905 /nfs/dbraw/zinc/81/99/05/977819905.db2.gz SFERWDUORYPHFI-UHFFFAOYSA-N 1 2 246.289 1.877 20 0 BDADLO CC[N@H+](Cc1ccccn1)Cc1ccc(=O)[nH]n1 ZINC001232026614 977859346 /nfs/dbraw/zinc/85/93/46/977859346.db2.gz UQUJYYZJNOBLAU-UHFFFAOYSA-N 1 2 244.298 1.599 20 0 BDADLO CC[N@@H+](Cc1ccccn1)Cc1ccc(=O)[nH]n1 ZINC001232026614 977859355 /nfs/dbraw/zinc/85/93/55/977859355.db2.gz UQUJYYZJNOBLAU-UHFFFAOYSA-N 1 2 244.298 1.599 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1cncc(O)c1 ZINC001232039881 977865211 /nfs/dbraw/zinc/86/52/11/977865211.db2.gz ZCNAKQQWUAMVCI-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1cncc(O)c1 ZINC001232039881 977865215 /nfs/dbraw/zinc/86/52/15/977865215.db2.gz ZCNAKQQWUAMVCI-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO Oc1cncc(C[NH+]2CC3(CSC3)C2)c1 ZINC001232044752 977870381 /nfs/dbraw/zinc/87/03/81/977870381.db2.gz VWOMWTZGCSPGBR-UHFFFAOYSA-N 1 2 222.313 1.336 20 0 BDADLO Fc1cc(F)c(Nc2[nH]cc[nH+]2)nc1F ZINC001176080573 977875238 /nfs/dbraw/zinc/87/52/38/977875238.db2.gz XXNYTNFEJSZJCE-UHFFFAOYSA-N 1 2 214.150 1.966 20 0 BDADLO C[N@H+](Cc1cc2ccncc2[nH]1)C1COC1 ZINC001232094557 977894464 /nfs/dbraw/zinc/89/44/64/977894464.db2.gz UICDGGQOSDNLHF-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1cc2ccncc2[nH]1)C1COC1 ZINC001232094557 977894465 /nfs/dbraw/zinc/89/44/65/977894465.db2.gz UICDGGQOSDNLHF-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@@H+](C[C@H](O)C2CC2)C1 ZINC001176145211 977934496 /nfs/dbraw/zinc/93/44/96/977934496.db2.gz KOMASCWHVVQDII-RNCFNFMXSA-N 1 2 235.331 1.175 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@H+](C[C@H](O)C2CC2)C1 ZINC001176145211 977934503 /nfs/dbraw/zinc/93/45/03/977934503.db2.gz KOMASCWHVVQDII-RNCFNFMXSA-N 1 2 235.331 1.175 20 0 BDADLO Cc1scnc1C[N@H+]1CCc2nccn2CC1 ZINC001232211535 977937435 /nfs/dbraw/zinc/93/74/35/977937435.db2.gz GPBGDKHRNSIJSF-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO Cc1scnc1C[N@@H+]1CCc2nccn2CC1 ZINC001232211535 977937446 /nfs/dbraw/zinc/93/74/46/977937446.db2.gz GPBGDKHRNSIJSF-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ncsc2C)C1 ZINC001232213259 977942091 /nfs/dbraw/zinc/94/20/91/977942091.db2.gz ZUCTZLOIEBIUEU-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ncsc2C)C1 ZINC001232213259 977942099 /nfs/dbraw/zinc/94/20/99/977942099.db2.gz ZUCTZLOIEBIUEU-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO COc1cc[nH+]cc1Nc1ncccc1N ZINC001176117160 977943574 /nfs/dbraw/zinc/94/35/74/977943574.db2.gz UHZOQJWPNQOLLH-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO COc1cc[nH+]cc1-n1nc2c(c1N)CCC2 ZINC001176117199 977945257 /nfs/dbraw/zinc/94/52/57/977945257.db2.gz VKRWUAGLVDWDQC-UHFFFAOYSA-N 1 2 230.271 1.347 20 0 BDADLO COc1cc(Nc2c[nH+]ccc2OC)no1 ZINC001176117143 977947674 /nfs/dbraw/zinc/94/76/74/977947674.db2.gz TVKPKYYEFGMTSL-UHFFFAOYSA-N 1 2 221.216 1.830 20 0 BDADLO COc1cc(Nc2c[nH+]ccc2OC)c(N)cn1 ZINC001176119092 977949426 /nfs/dbraw/zinc/94/94/26/977949426.db2.gz OEXCJQCWSLNJRF-UHFFFAOYSA-N 1 2 246.270 1.820 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C)c(C)n1 ZINC001232330291 978002383 /nfs/dbraw/zinc/00/23/83/978002383.db2.gz AOHWYWMVKRYYKC-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C)c(C)n1 ZINC001232330291 978002398 /nfs/dbraw/zinc/00/23/98/978002398.db2.gz AOHWYWMVKRYYKC-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO Cc1[nH+]c(N)ccc1CN(C)CC(F)(F)F ZINC001232338834 978012079 /nfs/dbraw/zinc/01/20/79/978012079.db2.gz YHHDLXJONHTGNY-UHFFFAOYSA-N 1 2 233.237 1.966 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1Cc2ncsc2C1 ZINC001232347351 978027524 /nfs/dbraw/zinc/02/75/24/978027524.db2.gz NXFGYRPWSGDOJZ-UHFFFAOYSA-N 1 2 246.339 1.945 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232428774 978072328 /nfs/dbraw/zinc/07/23/28/978072328.db2.gz SBMBAXATOCHGKA-BDAKNGLRSA-N 1 2 223.295 1.831 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232428774 978072340 /nfs/dbraw/zinc/07/23/40/978072340.db2.gz SBMBAXATOCHGKA-BDAKNGLRSA-N 1 2 223.295 1.831 20 0 BDADLO CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1c[nH+]c(C)[nH]1 ZINC001232459719 978083518 /nfs/dbraw/zinc/08/35/18/978083518.db2.gz HLRPYUCXGHWVSU-GXFFZTMASA-N 1 2 249.314 1.246 20 0 BDADLO CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1c[nH]c(C)[nH+]1 ZINC001232459719 978083531 /nfs/dbraw/zinc/08/35/31/978083531.db2.gz HLRPYUCXGHWVSU-GXFFZTMASA-N 1 2 249.314 1.246 20 0 BDADLO Cc1ncc(C[NH+]2CCC(C)(O)CC2)[nH]1 ZINC001232458672 978090223 /nfs/dbraw/zinc/09/02/23/978090223.db2.gz QCHRCBPOPBHWFW-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]c(CN2CCCC(=O)[C@@H](F)C2)c[nH+]1 ZINC001232459190 978092166 /nfs/dbraw/zinc/09/21/66/978092166.db2.gz AIBARVGTRFFFKP-JTQLQIEISA-N 1 2 225.267 1.221 20 0 BDADLO Cc1[nH]cc(CN2CCCC(=O)[C@@H](F)C2)[nH+]1 ZINC001232459190 978092176 /nfs/dbraw/zinc/09/21/76/978092176.db2.gz AIBARVGTRFFFKP-JTQLQIEISA-N 1 2 225.267 1.221 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC001232465787 978105087 /nfs/dbraw/zinc/10/50/87/978105087.db2.gz PURYFNVRQXQUQD-JTQLQIEISA-N 1 2 207.277 1.129 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC001232465787 978105093 /nfs/dbraw/zinc/10/50/93/978105093.db2.gz PURYFNVRQXQUQD-JTQLQIEISA-N 1 2 207.277 1.129 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC001232465787 978105102 /nfs/dbraw/zinc/10/51/02/978105102.db2.gz PURYFNVRQXQUQD-JTQLQIEISA-N 1 2 207.277 1.129 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC001232465787 978105112 /nfs/dbraw/zinc/10/51/12/978105112.db2.gz PURYFNVRQXQUQD-JTQLQIEISA-N 1 2 207.277 1.129 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cc(F)ccn1)C2 ZINC001232490076 978137806 /nfs/dbraw/zinc/13/78/06/978137806.db2.gz HKLGMNFAQOROBC-UHFFFAOYSA-N 1 2 222.263 1.177 20 0 BDADLO Nc1ccc(F)cc1C[N@H+](C1CC1)C1COC1 ZINC001232511409 978156860 /nfs/dbraw/zinc/15/68/60/978156860.db2.gz FWXNCHDPHKILRM-UHFFFAOYSA-N 1 2 236.290 1.771 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+](C1CC1)C1COC1 ZINC001232511409 978156863 /nfs/dbraw/zinc/15/68/63/978156863.db2.gz FWXNCHDPHKILRM-UHFFFAOYSA-N 1 2 236.290 1.771 20 0 BDADLO CC(C)OC1C[NH+](Cc2c[nH]c3nccnc23)C1 ZINC001232548114 978170990 /nfs/dbraw/zinc/17/09/90/978170990.db2.gz CBUYYAPAFHMDHX-UHFFFAOYSA-N 1 2 246.314 1.519 20 0 BDADLO c1[nH]c2nccnc2c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001232551697 978178357 /nfs/dbraw/zinc/17/83/57/978178357.db2.gz OABFZSRVEIZVNF-GHMZBOCLSA-N 1 2 244.298 1.273 20 0 BDADLO c1[nH]c2nccnc2c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001232551697 978178360 /nfs/dbraw/zinc/17/83/60/978178360.db2.gz OABFZSRVEIZVNF-GHMZBOCLSA-N 1 2 244.298 1.273 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](O)C(C)(C)C2)[nH+]1 ZINC001337144887 978185505 /nfs/dbraw/zinc/18/55/05/978185505.db2.gz DOKPSIYUJLCJHP-JTQLQIEISA-N 1 2 224.279 1.736 20 0 BDADLO CC(C)(C)c1nnc(NC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001176825863 978190362 /nfs/dbraw/zinc/19/03/62/978190362.db2.gz BLEWQSHXOHEKOR-UHFFFAOYSA-N 1 2 249.274 1.271 20 0 BDADLO Cc1cccc(N)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176832684 978199492 /nfs/dbraw/zinc/19/94/92/978199492.db2.gz YZPPSQGAXACAJX-UHFFFAOYSA-N 1 2 230.271 1.482 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncc3cnccc32)CCO1 ZINC001232649084 978205127 /nfs/dbraw/zinc/20/51/27/978205127.db2.gz DDBYJYPGBHBTQQ-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncc3cnccc32)CCO1 ZINC001232649084 978205139 /nfs/dbraw/zinc/20/51/39/978205139.db2.gz DDBYJYPGBHBTQQ-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]1C1CC1 ZINC001176883779 978223484 /nfs/dbraw/zinc/22/34/84/978223484.db2.gz MZWMHPXZBUMKNT-GHMZBOCLSA-N 1 2 219.288 1.188 20 0 BDADLO CNc1ccccc1C[N@H+](C)[C@H](C)C(=O)OC ZINC001232670351 978225745 /nfs/dbraw/zinc/22/57/45/978225745.db2.gz BPLSBYZLNKASNE-SNVBAGLBSA-N 1 2 236.315 1.722 20 0 BDADLO CNc1ccccc1C[N@@H+](C)[C@H](C)C(=O)OC ZINC001232670351 978225758 /nfs/dbraw/zinc/22/57/58/978225758.db2.gz BPLSBYZLNKASNE-SNVBAGLBSA-N 1 2 236.315 1.722 20 0 BDADLO CC(=O)CC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC001176883149 978226014 /nfs/dbraw/zinc/22/60/14/978226014.db2.gz CYVVNHGMALDJNK-UHFFFAOYSA-N 1 2 237.303 1.147 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccno1 ZINC001176883453 978228923 /nfs/dbraw/zinc/22/89/23/978228923.db2.gz GPPQMSLUPIUNCO-VIFPVBQESA-N 1 2 234.259 1.139 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001232674017 978230567 /nfs/dbraw/zinc/23/05/67/978230567.db2.gz QTOLLBUCIFOEBA-QWHCGFSZSA-N 1 2 218.300 1.701 20 0 BDADLO CNc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001232674017 978230578 /nfs/dbraw/zinc/23/05/78/978230578.db2.gz QTOLLBUCIFOEBA-QWHCGFSZSA-N 1 2 218.300 1.701 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C\c2ccco2)c1 ZINC001596635085 978242221 /nfs/dbraw/zinc/24/22/21/978242221.db2.gz SVXICVQGIBHFLB-PLNGDYQASA-N 1 2 245.282 1.385 20 0 BDADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccns1 ZINC001337289256 978263714 /nfs/dbraw/zinc/26/37/14/978263714.db2.gz MVYJTXDUHJVVKO-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccns1 ZINC001337289256 978263723 /nfs/dbraw/zinc/26/37/23/978263723.db2.gz MVYJTXDUHJVVKO-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO N=CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971849 978266189 /nfs/dbraw/zinc/26/61/89/978266189.db2.gz YSRFUSSMZVFAHP-JTQLQIEISA-N 1 2 232.287 1.021 20 0 BDADLO N=CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971851 978268321 /nfs/dbraw/zinc/26/83/21/978268321.db2.gz YSRFUSSMZVFAHP-SNVBAGLBSA-N 1 2 232.287 1.021 20 0 BDADLO CCOC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001176995355 978268842 /nfs/dbraw/zinc/26/88/42/978268842.db2.gz KMPNXSIZSPWTGM-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001176995355 978268847 /nfs/dbraw/zinc/26/88/47/978268847.db2.gz KMPNXSIZSPWTGM-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO OCC1C[NH+](Cc2cccc(O)c2Cl)C1 ZINC001232788398 978275595 /nfs/dbraw/zinc/27/55/95/978275595.db2.gz SBWKEXAVNKIIOR-UHFFFAOYSA-N 1 2 227.691 1.470 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1CCCCS1 ZINC001597239202 978303161 /nfs/dbraw/zinc/30/31/61/978303161.db2.gz QMVZXNNYJSWYTK-QWRGUYRKSA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NC[C@@H]1CCCCS1 ZINC001597239202 978303170 /nfs/dbraw/zinc/30/31/70/978303170.db2.gz QMVZXNNYJSWYTK-QWRGUYRKSA-N 1 2 242.388 1.483 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001232878692 978314511 /nfs/dbraw/zinc/31/45/11/978314511.db2.gz RMTJXXYEZWGYDO-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001232878692 978314516 /nfs/dbraw/zinc/31/45/16/978314516.db2.gz RMTJXXYEZWGYDO-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CCCNC(=O)C2)c1 ZINC001232880242 978321303 /nfs/dbraw/zinc/32/13/03/978321303.db2.gz MVQUBFTVPTXTAQ-UHFFFAOYSA-N 1 2 234.299 1.023 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CCCNC(=O)C2)c1 ZINC001232880242 978321309 /nfs/dbraw/zinc/32/13/09/978321309.db2.gz MVQUBFTVPTXTAQ-UHFFFAOYSA-N 1 2 234.299 1.023 20 0 BDADLO CC(C)c1oncc1NC(=O)C[NH+]1CCCC1 ZINC001337409554 978328343 /nfs/dbraw/zinc/32/83/43/978328343.db2.gz LPICTSUNEUNMQD-UHFFFAOYSA-N 1 2 237.303 1.832 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(O)c1F ZINC001232931329 978340262 /nfs/dbraw/zinc/34/02/62/978340262.db2.gz MKNMAEPTHRKWGZ-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232931329 978340275 /nfs/dbraw/zinc/34/02/75/978340275.db2.gz MKNMAEPTHRKWGZ-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO C[N@H+](Cc1ccc(F)c(O)c1F)[C@H]1CCOC1 ZINC001232934569 978340827 /nfs/dbraw/zinc/34/08/27/978340827.db2.gz HUKHKHAIOPKSEL-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(O)c1F)[C@H]1CCOC1 ZINC001232934569 978340838 /nfs/dbraw/zinc/34/08/38/978340838.db2.gz HUKHKHAIOPKSEL-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO CN(CC(=O)N[C@H]1C[C@@H]1C1CC1)c1cccc[nH+]1 ZINC001177417556 978352089 /nfs/dbraw/zinc/35/20/89/978352089.db2.gz NRHGHPMWQLDCKC-NEPJUHHUSA-N 1 2 245.326 1.433 20 0 BDADLO CN(CC(=O)N[C@@H]1C[C@@H]1C1CC1)c1cccc[nH+]1 ZINC001177417562 978354836 /nfs/dbraw/zinc/35/48/36/978354836.db2.gz NRHGHPMWQLDCKC-VXGBXAGGSA-N 1 2 245.326 1.433 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2scnc2Cl)C1 ZINC000721925139 978360921 /nfs/dbraw/zinc/36/09/21/978360921.db2.gz ZSZBCMUTRACDPL-ZCFIWIBFSA-N 1 2 218.709 1.363 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000721925139 978360935 /nfs/dbraw/zinc/36/09/35/978360935.db2.gz ZSZBCMUTRACDPL-ZCFIWIBFSA-N 1 2 218.709 1.363 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CC[C@@H]1CCOC1 ZINC001337508895 978382723 /nfs/dbraw/zinc/38/27/23/978382723.db2.gz IPLZGMNIQJKWTR-GFCCVEGCSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+](C)C1(C)COC1 ZINC001232990579 978393331 /nfs/dbraw/zinc/39/33/31/978393331.db2.gz HBCMEXPPLLXLGQ-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1ncc(F)cc1C[N@H+](C)C1(C)COC1 ZINC001232990579 978393339 /nfs/dbraw/zinc/39/33/39/978393339.db2.gz HBCMEXPPLLXLGQ-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnc(C)cc2C)C[C@@H]1F ZINC001233007979 978399339 /nfs/dbraw/zinc/39/93/39/978399339.db2.gz JTNFDASDSLUUNI-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnc(C)cc2C)C[C@@H]1F ZINC001233007979 978399345 /nfs/dbraw/zinc/39/93/45/978399345.db2.gz JTNFDASDSLUUNI-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnc(C)cc2C)C[C@@H]1F ZINC001233007974 978400460 /nfs/dbraw/zinc/40/04/60/978400460.db2.gz JTNFDASDSLUUNI-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnc(C)cc2C)C[C@@H]1F ZINC001233007974 978400467 /nfs/dbraw/zinc/40/04/67/978400467.db2.gz JTNFDASDSLUUNI-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO C[C@@H](C(=O)Nc1ncccc1O)n1cc[nH+]c1 ZINC001337627178 978435619 /nfs/dbraw/zinc/43/56/19/978435619.db2.gz ZMGDTOLUZXUCLQ-QMMMGPOBSA-N 1 2 232.243 1.183 20 0 BDADLO Cc1c[nH]c(=O)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921371 978471696 /nfs/dbraw/zinc/47/16/96/978471696.db2.gz AUFXEACVTWVDPC-SECBINFHSA-N 1 2 246.270 1.492 20 0 BDADLO C[C@H](C(=O)Nc1ncccc1N)n1cc[nH+]c1 ZINC001177922315 978471977 /nfs/dbraw/zinc/47/19/77/978471977.db2.gz SVUGPZXAJVNUOK-MRVPVSSYSA-N 1 2 231.259 1.060 20 0 BDADLO Cc1cccnc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177918122 978473866 /nfs/dbraw/zinc/47/38/66/978473866.db2.gz PYIFXKBICGMKQQ-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC12CCOCC2)n1cc[nH+]c1 ZINC001177926535 978476203 /nfs/dbraw/zinc/47/62/03/978476203.db2.gz FUQWCGKZDCSGGE-GHMZBOCLSA-N 1 2 249.314 1.129 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3nccc3C2)cnc1C ZINC001233162975 978482613 /nfs/dbraw/zinc/48/26/13/978482613.db2.gz OXCOTYQMWZVNKN-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C[N@H+]2CCn3nccc3C2)cnc1C ZINC001233162975 978482617 /nfs/dbraw/zinc/48/26/17/978482617.db2.gz OXCOTYQMWZVNKN-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)c1ccccc1N ZINC001177997705 978484204 /nfs/dbraw/zinc/48/42/04/978484204.db2.gz GMLYYZSISBZVQJ-UHFFFAOYSA-N 1 2 244.298 1.588 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)nn1 ZINC001178002541 978486725 /nfs/dbraw/zinc/48/67/25/978486725.db2.gz DVSDJTKYVCFUPP-LBPRGKRZSA-N 1 2 243.314 1.675 20 0 BDADLO Cc1ncn(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177994672 978495100 /nfs/dbraw/zinc/49/51/00/978495100.db2.gz ZNOYCUFXUKUPLD-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@H+](C)Cc2ccon2)c1 ZINC001233195433 978495158 /nfs/dbraw/zinc/49/51/58/978495158.db2.gz KRFDCKWCCQBIPG-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@@H+](C)Cc2ccon2)c1 ZINC001233195433 978495162 /nfs/dbraw/zinc/49/51/62/978495162.db2.gz KRFDCKWCCQBIPG-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@H]1F ZINC001204208904 978495144 /nfs/dbraw/zinc/49/51/44/978495144.db2.gz WAFFWIGPLHLYRA-PWSUYJOCSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@H]1F ZINC001204208904 978495148 /nfs/dbraw/zinc/49/51/48/978495148.db2.gz WAFFWIGPLHLYRA-PWSUYJOCSA-N 1 2 245.244 1.870 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1O ZINC001233230122 978496740 /nfs/dbraw/zinc/49/67/40/978496740.db2.gz XSTOJSJGIBMZTK-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1O ZINC001233230122 978496746 /nfs/dbraw/zinc/49/67/46/978496746.db2.gz XSTOJSJGIBMZTK-NSHDSACASA-N 1 2 221.300 1.921 20 0 BDADLO O=C(NCc1cc[nH]c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119053 978505931 /nfs/dbraw/zinc/50/59/31/978505931.db2.gz JBESTPFHUCUFSW-LLVKDONJSA-N 1 2 244.298 1.090 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001206322924 978527988 /nfs/dbraw/zinc/52/79/88/978527988.db2.gz WRZWOXVEGFXIEZ-OLZOCXBDSA-N 1 2 247.342 1.754 20 0 BDADLO Cn1nccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001206322924 978527998 /nfs/dbraw/zinc/52/79/98/978527998.db2.gz WRZWOXVEGFXIEZ-OLZOCXBDSA-N 1 2 247.342 1.754 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc2c1CCO2 ZINC001233277323 978528578 /nfs/dbraw/zinc/52/85/78/978528578.db2.gz XFMLPYAOFUDDQS-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2c1CCO2 ZINC001233277323 978528582 /nfs/dbraw/zinc/52/85/82/978528582.db2.gz XFMLPYAOFUDDQS-SNVBAGLBSA-N 1 2 249.310 1.615 20 0 BDADLO c1cn2c(cccc2C[N@@H+]2CCOC3(CC3)C2)n1 ZINC001233363927 978576967 /nfs/dbraw/zinc/57/69/67/978576967.db2.gz HJMQGEFPFJQYGI-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cn2c(cccc2C[N@H+]2CCOC3(CC3)C2)n1 ZINC001233363927 978576975 /nfs/dbraw/zinc/57/69/75/978576975.db2.gz HJMQGEFPFJQYGI-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cn2c(cccc2CN2CCOC3(CC3)C2)[nH+]1 ZINC001233363927 978576982 /nfs/dbraw/zinc/57/69/82/978576982.db2.gz HJMQGEFPFJQYGI-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO Nc1cccc(C[N@@H+]2CCc3ncccc3C2)n1 ZINC001233371465 978584974 /nfs/dbraw/zinc/58/49/74/978584974.db2.gz RRBFHSJEFLXMPW-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1cccc(C[N@H+]2CCc3ncccc3C2)n1 ZINC001233371465 978584981 /nfs/dbraw/zinc/58/49/81/978584981.db2.gz RRBFHSJEFLXMPW-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1cccc(CN2CCc3ncccc3C2)[nH+]1 ZINC001233371465 978584986 /nfs/dbraw/zinc/58/49/86/978584986.db2.gz RRBFHSJEFLXMPW-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO CCc1ccc(N2CCC[C@@H]2[C@@H](C)O)[nH+]c1 ZINC001338044064 978591894 /nfs/dbraw/zinc/59/18/94/978591894.db2.gz XHPWDANGCJHVNR-ZYHUDNBSSA-N 1 2 220.316 1.994 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446326 978601225 /nfs/dbraw/zinc/60/12/25/978601225.db2.gz QNUMGPVIXVUJPQ-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446326 978601227 /nfs/dbraw/zinc/60/12/27/978601227.db2.gz QNUMGPVIXVUJPQ-SECBINFHSA-N 1 2 227.695 1.087 20 0 BDADLO OC1CC[NH+](Cc2cncc(Cl)n2)CC1 ZINC001233446408 978602292 /nfs/dbraw/zinc/60/22/92/978602292.db2.gz UKKDQIXDLLHNLR-UHFFFAOYSA-N 1 2 227.695 1.087 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H]2CCn3ccnc32)cn1 ZINC001178774265 978627574 /nfs/dbraw/zinc/62/75/74/978627574.db2.gz IOSQZZDMHROBOT-LLVKDONJSA-N 1 2 229.287 1.415 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC001178927292 978641430 /nfs/dbraw/zinc/64/14/30/978641430.db2.gz SFFVDBREGKKPCV-SNVBAGLBSA-N 1 2 247.346 1.567 20 0 BDADLO CCC1(C(=O)NCCc2[nH]cc(C)[nH+]2)CCC1 ZINC001179023540 978655503 /nfs/dbraw/zinc/65/55/03/978655503.db2.gz UQIDGSVOQVGKJX-UHFFFAOYSA-N 1 2 235.331 1.957 20 0 BDADLO Cc1cn(C)nc1C[NH2+]Cc1ccnc(F)c1 ZINC001179286019 978686974 /nfs/dbraw/zinc/68/69/74/978686974.db2.gz WIMNUDRPSNEFJC-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@@H](O)CCCC(=O)Oc1ccc2[nH+]ccn2c1 ZINC001233754273 978689635 /nfs/dbraw/zinc/68/96/35/978689635.db2.gz HRNLBHLZJVUZEE-SNVBAGLBSA-N 1 2 248.282 1.791 20 0 BDADLO COCCc1ccc[nH+]c1N1CCCC1 ZINC001249938942 978726784 /nfs/dbraw/zinc/72/67/84/978726784.db2.gz OUDVWKAXSNAWFB-UHFFFAOYSA-N 1 2 206.289 1.871 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001338903633 978750249 /nfs/dbraw/zinc/75/02/49/978750249.db2.gz URAORRSEGBVMEW-SNVBAGLBSA-N 1 2 239.294 1.864 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001338903633 978750253 /nfs/dbraw/zinc/75/02/53/978750253.db2.gz URAORRSEGBVMEW-SNVBAGLBSA-N 1 2 239.294 1.864 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCO[C@H]1C ZINC001339103957 978794577 /nfs/dbraw/zinc/79/45/77/978794577.db2.gz WBBAUQSQHBVHPM-WDEREUQCSA-N 1 2 234.299 1.484 20 0 BDADLO Cc1ccnn1CC(=O)Nc1c(C)c[nH+]cc1C ZINC001339102906 978794733 /nfs/dbraw/zinc/79/47/33/978794733.db2.gz JWBPCHFKLUYDAY-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO OCC[N@H+](Cc1ncccc1F)C1CC1 ZINC001180153508 978837302 /nfs/dbraw/zinc/83/73/02/978837302.db2.gz ICSNXUTYXWWELQ-UHFFFAOYSA-N 1 2 210.252 1.177 20 0 BDADLO OCC[N@@H+](Cc1ncccc1F)C1CC1 ZINC001180153508 978837306 /nfs/dbraw/zinc/83/73/06/978837306.db2.gz ICSNXUTYXWWELQ-UHFFFAOYSA-N 1 2 210.252 1.177 20 0 BDADLO C[NH+]1CC(NC(=O)CCC(F)=C(F)F)C1 ZINC001180279745 978857538 /nfs/dbraw/zinc/85/75/38/978857538.db2.gz HZIQIZVNZNMISP-UHFFFAOYSA-N 1 2 222.210 1.274 20 0 BDADLO Cc1noc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC001339574183 978874120 /nfs/dbraw/zinc/87/41/20/978874120.db2.gz HVBXEUFBRNPGLV-JTQLQIEISA-N 1 2 233.275 1.416 20 0 BDADLO C[NH+]1CC(Oc2cc3cccnc3[nH]2)C1 ZINC001234621683 978876853 /nfs/dbraw/zinc/87/68/53/978876853.db2.gz SZDXIBSTKKHBRF-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO CC(C)[C@H](Nc1cc(N)nc[nH+]1)c1cnn(C)c1 ZINC001339830195 978920805 /nfs/dbraw/zinc/92/08/05/978920805.db2.gz QTZXSUPYTOAIBU-LBPRGKRZSA-N 1 2 246.318 1.602 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1cnn(C)c1 ZINC000070853081 978922077 /nfs/dbraw/zinc/92/20/77/978922077.db2.gz LLMZMILYFJTXKC-VIFPVBQESA-N 1 2 219.292 1.004 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CC(F)(F)CC[C@H]1C ZINC001180692557 978930077 /nfs/dbraw/zinc/93/00/77/978930077.db2.gz ISWPQKRIIGBVIS-ZJUUUORDSA-N 1 2 246.301 1.727 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CC(F)(F)CC[C@H]1C ZINC001180692557 978930080 /nfs/dbraw/zinc/93/00/80/978930080.db2.gz ISWPQKRIIGBVIS-ZJUUUORDSA-N 1 2 246.301 1.727 20 0 BDADLO Cc1csc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001180755880 978941585 /nfs/dbraw/zinc/94/15/85/978941585.db2.gz DLABLSSUEPAXMY-SECBINFHSA-N 1 2 240.328 1.326 20 0 BDADLO Cc1csc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001180755880 978941590 /nfs/dbraw/zinc/94/15/90/978941590.db2.gz DLABLSSUEPAXMY-SECBINFHSA-N 1 2 240.328 1.326 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(F)cn2)CC[C@@]1(C)O ZINC001235008622 978949648 /nfs/dbraw/zinc/94/96/48/978949648.db2.gz XQAPIXVYLGGVPZ-BXKDBHETSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(F)cn2)CC[C@@]1(C)O ZINC001235008622 978949650 /nfs/dbraw/zinc/94/96/50/978949650.db2.gz XQAPIXVYLGGVPZ-BXKDBHETSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H](C(=O)N1[C@H](C)CC[C@H]1C)n1cc[nH+]c1 ZINC001340274423 978996640 /nfs/dbraw/zinc/99/66/40/978996640.db2.gz UJHLFNCBQHKNFW-GMTAPVOTSA-N 1 2 221.304 1.844 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccc(CC)n1 ZINC001235250507 979008317 /nfs/dbraw/zinc/00/83/17/979008317.db2.gz KUDHBUBOMOXSTF-UHFFFAOYSA-N 1 2 235.331 1.212 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccc(CC)n1 ZINC001235250507 979008323 /nfs/dbraw/zinc/00/83/23/979008323.db2.gz KUDHBUBOMOXSTF-UHFFFAOYSA-N 1 2 235.331 1.212 20 0 BDADLO Cc1ccc(Nc2cnn(C)c2C(N)=O)c(C)[nH+]1 ZINC001203366514 979015281 /nfs/dbraw/zinc/01/52/81/979015281.db2.gz BGPVUIZEQQOLBL-UHFFFAOYSA-N 1 2 245.286 1.274 20 0 BDADLO COc1cc(C[N@H+](C)[C@H]2CCOC2)c(F)cn1 ZINC001235315944 979023235 /nfs/dbraw/zinc/02/32/35/979023235.db2.gz ILPMKUAWBQPNFS-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COc1cc(C[N@@H+](C)[C@H]2CCOC2)c(F)cn1 ZINC001235315944 979023237 /nfs/dbraw/zinc/02/32/37/979023237.db2.gz ILPMKUAWBQPNFS-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CCn3nncc3C2)c1 ZINC001235346657 979030361 /nfs/dbraw/zinc/03/03/61/979030361.db2.gz UVMPZJKOGMAMSC-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CCn3nncc3C2)c1 ZINC001235346657 979030367 /nfs/dbraw/zinc/03/03/67/979030367.db2.gz UVMPZJKOGMAMSC-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Nc1cc(CC(=O)N2CCC3(CCC3)C2)cc[nH+]1 ZINC001181257756 979040003 /nfs/dbraw/zinc/04/00/03/979040003.db2.gz UHYFTGGZWIGXPZ-UHFFFAOYSA-N 1 2 245.326 1.609 20 0 BDADLO C[C@@H](O)CC(=O)Nc1cccc2[nH+]ccn21 ZINC001181344672 979072100 /nfs/dbraw/zinc/07/21/00/979072100.db2.gz APZBPBDLDORNOF-MRVPVSSYSA-N 1 2 219.244 1.044 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001235539327 979075557 /nfs/dbraw/zinc/07/55/57/979075557.db2.gz SWYSNJFRIQCUGD-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001235539327 979075569 /nfs/dbraw/zinc/07/55/69/979075569.db2.gz SWYSNJFRIQCUGD-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001235550833 979093899 /nfs/dbraw/zinc/09/38/99/979093899.db2.gz ZJKQUCRHOKCSGG-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1nc2c(o1)CCN(Cc1c(C)[nH+]cn1C)C2 ZINC001235563278 979097034 /nfs/dbraw/zinc/09/70/34/979097034.db2.gz IMHVGLBDMJJLJL-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@@H]1CCOC1 ZINC001340810141 979117563 /nfs/dbraw/zinc/11/75/63/979117563.db2.gz IPEZXEVUFCGFPJ-AAOUONPWSA-N 1 2 246.310 1.652 20 0 BDADLO CO[C@H](C)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001181554513 979155975 /nfs/dbraw/zinc/15/59/75/979155975.db2.gz WGHQTTVVKFXSQJ-SECBINFHSA-N 1 2 234.299 1.356 20 0 BDADLO CCn1ncc(NC(=O)C[C@H]([NH3+])C(F)F)c1C ZINC001340953997 979176955 /nfs/dbraw/zinc/17/69/55/979176955.db2.gz PNZHHSPFNVKDRA-ZETCQYMHSA-N 1 2 246.261 1.132 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CCOC2)c(C)c[nH+]1 ZINC001341493231 979433764 /nfs/dbraw/zinc/43/37/64/979433764.db2.gz DIOPTSRSZAJBLW-LLVKDONJSA-N 1 2 249.314 1.278 20 0 BDADLO C[N@H+](CCO)Cc1cc(F)c(O)c(Cl)c1 ZINC001236255514 979477344 /nfs/dbraw/zinc/47/73/44/979477344.db2.gz GOUGULVEDKELIX-UHFFFAOYSA-N 1 2 233.670 1.609 20 0 BDADLO C[N@@H+](CCO)Cc1cc(F)c(O)c(Cl)c1 ZINC001236255514 979477347 /nfs/dbraw/zinc/47/73/47/979477347.db2.gz GOUGULVEDKELIX-UHFFFAOYSA-N 1 2 233.670 1.609 20 0 BDADLO C[N@H+](CCO)Cc1ccc(F)c(O)c1F ZINC001236255442 979477999 /nfs/dbraw/zinc/47/79/99/979477999.db2.gz DGXGVHAFYBOOCU-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)n[nH]1 ZINC001341604213 979488891 /nfs/dbraw/zinc/48/88/91/979488891.db2.gz GITJUSDZIAQDDD-CMPLNLGQSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)n[nH]1 ZINC001341604213 979488893 /nfs/dbraw/zinc/48/88/93/979488893.db2.gz GITJUSDZIAQDDD-CMPLNLGQSA-N 1 2 223.320 1.311 20 0 BDADLO C[C@@H](C(=O)N[C@@]1(C)CCCOC1)n1cc[nH+]c1 ZINC001341674603 979520468 /nfs/dbraw/zinc/52/04/68/979520468.db2.gz GNEBTFVCOVBLAD-JQWIXIFHSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@H]1C[C@H](c2nnc(C[NH+](C)C)o2)CO1 ZINC001341744464 979542960 /nfs/dbraw/zinc/54/29/60/979542960.db2.gz UFWBIYXIEVPWSE-YUMQZZPRSA-N 1 2 211.265 1.024 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)nc1C ZINC001182828280 979651416 /nfs/dbraw/zinc/65/14/16/979651416.db2.gz BKMZGKIMJCQBKP-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)nc1C ZINC001182828280 979651421 /nfs/dbraw/zinc/65/14/21/979651421.db2.gz BKMZGKIMJCQBKP-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@@H]2CC[N@H+]2C(C)C)n1 ZINC001182829178 979654264 /nfs/dbraw/zinc/65/42/64/979654264.db2.gz VTKDMXYURYSNJQ-JTQLQIEISA-N 1 2 249.314 1.517 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)n1 ZINC001182829178 979654276 /nfs/dbraw/zinc/65/42/76/979654276.db2.gz VTKDMXYURYSNJQ-JTQLQIEISA-N 1 2 249.314 1.517 20 0 BDADLO O=C1C[N@H+](Cc2cccc3sccc32)CCN1 ZINC001236683372 979692430 /nfs/dbraw/zinc/69/24/30/979692430.db2.gz SOYJEICOBCDXEH-UHFFFAOYSA-N 1 2 246.335 1.833 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3sccc32)CCN1 ZINC001236683372 979692434 /nfs/dbraw/zinc/69/24/34/979692434.db2.gz SOYJEICOBCDXEH-UHFFFAOYSA-N 1 2 246.335 1.833 20 0 BDADLO CN(C)CC[N@H+](C)CC1OC=CC1=S ZINC001237181506 979833519 /nfs/dbraw/zinc/83/35/19/979833519.db2.gz IMJFJJMVFOSXBK-UHFFFAOYSA-N 1 2 214.334 1.562 20 0 BDADLO CN(C)CC[N@@H+](C)CC1OC=CC1=S ZINC001237181506 979833523 /nfs/dbraw/zinc/83/35/23/979833523.db2.gz IMJFJJMVFOSXBK-UHFFFAOYSA-N 1 2 214.334 1.562 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)n[nH]1 ZINC001342708195 979874154 /nfs/dbraw/zinc/87/41/54/979874154.db2.gz DFXSCPLQKXBYPP-QWRGUYRKSA-N 1 2 223.320 1.311 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(C2CC2)CC1 ZINC001183804563 979889954 /nfs/dbraw/zinc/88/99/54/979889954.db2.gz CDMHUJZRGBROPA-UHFFFAOYSA-N 1 2 233.315 1.269 20 0 BDADLO Cc1ccc(Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC001605861391 979919202 /nfs/dbraw/zinc/91/92/02/979919202.db2.gz OOYMZGFXUUZGHX-UHFFFAOYSA-N 1 2 240.270 1.420 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccn2nccc2c1 ZINC001237549607 979934696 /nfs/dbraw/zinc/93/46/96/979934696.db2.gz KOFLJOJTHBQMRL-UHFFFAOYSA-N 1 2 217.272 1.355 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccn2nccc2c1 ZINC001237549607 979934704 /nfs/dbraw/zinc/93/47/04/979934704.db2.gz KOFLJOJTHBQMRL-UHFFFAOYSA-N 1 2 217.272 1.355 20 0 BDADLO CCCOC1CN(Cc2c[nH+]cn2CC)C1 ZINC001237591565 979951721 /nfs/dbraw/zinc/95/17/21/979951721.db2.gz XGWUEBUDWIGPQM-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccncn1 ZINC001237594483 979953640 /nfs/dbraw/zinc/95/36/40/979953640.db2.gz UAKHWDAELPYXOX-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccco2)C1 ZINC001203271068 979964959 /nfs/dbraw/zinc/96/49/59/979964959.db2.gz UHBGZFNRYKJBAA-VHSXEESVSA-N 1 2 213.252 1.432 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccco2)C1 ZINC001203271068 979964971 /nfs/dbraw/zinc/96/49/71/979964971.db2.gz UHBGZFNRYKJBAA-VHSXEESVSA-N 1 2 213.252 1.432 20 0 BDADLO CCc1noc(C)c1CNc1cc(NC)[nH+]cn1 ZINC001343037986 979987370 /nfs/dbraw/zinc/98/73/70/979987370.db2.gz DXIDQWIRNAWLND-UHFFFAOYSA-N 1 2 247.302 1.989 20 0 BDADLO CCc1noc(C)c1CNc1cc(NC)nc[nH+]1 ZINC001343037986 979987377 /nfs/dbraw/zinc/98/73/77/979987377.db2.gz DXIDQWIRNAWLND-UHFFFAOYSA-N 1 2 247.302 1.989 20 0 BDADLO Cc1coc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)n1 ZINC001237638100 979989504 /nfs/dbraw/zinc/98/95/04/979989504.db2.gz CKPQZFRLRPOXST-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1coc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)n1 ZINC001237638100 979989510 /nfs/dbraw/zinc/98/95/10/979989510.db2.gz CKPQZFRLRPOXST-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])cs1 ZINC001606295032 979991015 /nfs/dbraw/zinc/99/10/15/979991015.db2.gz MAVGSRATTMHEOE-HTQZYQBOSA-N 1 2 242.344 1.705 20 0 BDADLO Cc1coc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC001237644543 979993939 /nfs/dbraw/zinc/99/39/39/979993939.db2.gz DZCLJDMWPFPSNM-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1coc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC001237644543 979993944 /nfs/dbraw/zinc/99/39/44/979993944.db2.gz DZCLJDMWPFPSNM-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CC(COC)C1 ZINC001237648445 979998558 /nfs/dbraw/zinc/99/85/58/979998558.db2.gz ANEOPLJYVKMHLH-UHFFFAOYSA-N 1 2 209.293 1.050 20 0 BDADLO CC[C@@H](C)C(=O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001184316225 980002128 /nfs/dbraw/zinc/00/21/28/980002128.db2.gz QFOVEMKMCZWEFU-SECBINFHSA-N 1 2 245.282 1.888 20 0 BDADLO Cc1coc(CN2CCn3c[nH+]cc3C2)n1 ZINC001237650887 980006748 /nfs/dbraw/zinc/00/67/48/980006748.db2.gz YMVCWDKIDUXWLV-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC001237658759 980018548 /nfs/dbraw/zinc/01/85/48/980018548.db2.gz KXXMQLLCBQEZSJ-NSHDSACASA-N 1 2 235.331 1.773 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC001237658759 980018557 /nfs/dbraw/zinc/01/85/57/980018557.db2.gz KXXMQLLCBQEZSJ-NSHDSACASA-N 1 2 235.331 1.773 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC001237712810 980034818 /nfs/dbraw/zinc/03/48/18/980034818.db2.gz FNWZPGLMRCQTAL-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC001237712810 980034827 /nfs/dbraw/zinc/03/48/27/980034827.db2.gz FNWZPGLMRCQTAL-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)nc1 ZINC001237802840 980051583 /nfs/dbraw/zinc/05/15/83/980051583.db2.gz HFPNEAMKTRMGAP-CHWSQXEVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)nc1 ZINC001237802840 980051594 /nfs/dbraw/zinc/05/15/94/980051594.db2.gz HFPNEAMKTRMGAP-CHWSQXEVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)nc1 ZINC001237805020 980054567 /nfs/dbraw/zinc/05/45/67/980054567.db2.gz ZULOMNXVHCSRBV-ZJUUUORDSA-N 1 2 239.269 1.872 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)nc1 ZINC001237805020 980054576 /nfs/dbraw/zinc/05/45/76/980054576.db2.gz ZULOMNXVHCSRBV-ZJUUUORDSA-N 1 2 239.269 1.872 20 0 BDADLO Cc1sccc1C[NH+]1CCN(C#N)CC1 ZINC001237976523 980120155 /nfs/dbraw/zinc/12/01/55/980120155.db2.gz PDNKMFNZYQYVHB-UHFFFAOYSA-N 1 2 221.329 1.655 20 0 BDADLO CC[N@H+](Cc1nccs1)[C@H](C)CNC(C)=O ZINC001151425726 980155048 /nfs/dbraw/zinc/15/50/48/980155048.db2.gz XLWDZXOVMMDAAR-SECBINFHSA-N 1 2 241.360 1.490 20 0 BDADLO CC[N@@H+](Cc1nccs1)[C@H](C)CNC(C)=O ZINC001151425726 980155055 /nfs/dbraw/zinc/15/50/55/980155055.db2.gz XLWDZXOVMMDAAR-SECBINFHSA-N 1 2 241.360 1.490 20 0 BDADLO Cc1oc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1C(=O)[O-] ZINC001608051266 980156561 /nfs/dbraw/zinc/15/65/61/980156561.db2.gz PPNZAXLVHUJNSU-NSHDSACASA-N 1 2 238.287 1.113 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CC[C@@H]2C)c1 ZINC001238114070 980163488 /nfs/dbraw/zinc/16/34/88/980163488.db2.gz HIAGSVGLGVROTF-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CC[C@@H]2C)c1 ZINC001238114070 980163497 /nfs/dbraw/zinc/16/34/97/980163497.db2.gz HIAGSVGLGVROTF-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO O=C([O-])[C@H](CC1CC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC001608535807 980226869 /nfs/dbraw/zinc/22/68/69/980226869.db2.gz ZUYPKEYTYMRZFI-NSHDSACASA-N 1 2 249.314 1.172 20 0 BDADLO C[N@@H+](Cc1cc(F)cc(F)c1)CC1OCCO1 ZINC001343830750 980251087 /nfs/dbraw/zinc/25/10/87/980251087.db2.gz AOOFHVJFIHYDRZ-UHFFFAOYSA-N 1 2 243.253 1.770 20 0 BDADLO C[N@H+](Cc1cc(F)cc(F)c1)CC1OCCO1 ZINC001343830750 980251092 /nfs/dbraw/zinc/25/10/92/980251092.db2.gz AOOFHVJFIHYDRZ-UHFFFAOYSA-N 1 2 243.253 1.770 20 0 BDADLO COCCCCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001185613958 980255360 /nfs/dbraw/zinc/25/53/60/980255360.db2.gz LIUDFJUVAYPUAQ-UHFFFAOYSA-N 1 2 248.326 1.747 20 0 BDADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1 ZINC001186036754 980315816 /nfs/dbraw/zinc/31/58/16/980315816.db2.gz YWGPPRGCCPXSPB-SECBINFHSA-N 1 2 240.328 1.062 20 0 BDADLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1 ZINC001186036754 980315818 /nfs/dbraw/zinc/31/58/18/980315818.db2.gz YWGPPRGCCPXSPB-SECBINFHSA-N 1 2 240.328 1.062 20 0 BDADLO Cc1cc(C(=O)NC2C[NH+](C)C2)c(F)cc1F ZINC001186394893 980369572 /nfs/dbraw/zinc/36/95/72/980369572.db2.gz NOJXMDJCNKHJBC-UHFFFAOYSA-N 1 2 240.253 1.317 20 0 BDADLO Cc1ccccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000074673188 980382394 /nfs/dbraw/zinc/38/23/94/980382394.db2.gz GFPSUAZTEOXNIT-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1[nH+]cc(NC(=O)NCC(F)(F)F)n1C ZINC001187060334 980473145 /nfs/dbraw/zinc/47/31/45/980473145.db2.gz JPWBLPSWFSDUSO-UHFFFAOYSA-N 1 2 236.197 1.412 20 0 BDADLO C[C@@H](C(=O)OCCCc1c[nH+]cn1C)C1CC1 ZINC001345059224 980534968 /nfs/dbraw/zinc/53/49/68/980534968.db2.gz FWWIYLPHWQQLOS-SNVBAGLBSA-N 1 2 236.315 1.942 20 0 BDADLO Cc1[nH]ccc1C(=O)NCCOc1cc[nH+]cc1 ZINC001188166481 980608681 /nfs/dbraw/zinc/60/86/81/980608681.db2.gz GYHULMUPJVOTGA-UHFFFAOYSA-N 1 2 245.282 1.527 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)c1cc(F)c[nH]1 ZINC001188496909 980657774 /nfs/dbraw/zinc/65/77/74/980657774.db2.gz DQOPUADKPJIQRA-UHFFFAOYSA-N 1 2 249.245 1.358 20 0 BDADLO Cn1cccc1-c1nnc([C@H]2C[N@H+](C)CCO2)o1 ZINC001345842693 980695712 /nfs/dbraw/zinc/69/57/12/980695712.db2.gz TVPAXHSNJSBNPA-SNVBAGLBSA-N 1 2 248.286 1.078 20 0 BDADLO Cn1cccc1-c1nnc([C@H]2C[N@@H+](C)CCO2)o1 ZINC001345842693 980695714 /nfs/dbraw/zinc/69/57/14/980695714.db2.gz TVPAXHSNJSBNPA-SNVBAGLBSA-N 1 2 248.286 1.078 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001345895764 980705637 /nfs/dbraw/zinc/70/56/37/980705637.db2.gz ZKDXCPWKPBTKJM-MNOVXSKESA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001346307751 980806945 /nfs/dbraw/zinc/80/69/45/980806945.db2.gz USIQGAJPHBXNCM-NXEZZACHSA-N 1 2 223.320 1.995 20 0 BDADLO COc1ncc(-c2ccn3cc[nH+]c3c2)cc1N ZINC001239634472 980821513 /nfs/dbraw/zinc/82/15/13/980821513.db2.gz IVTIOYBXMZGABB-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO CCc1cn(Cc2nc(CCOC)no2)c[nH+]1 ZINC001190103100 980845916 /nfs/dbraw/zinc/84/59/16/980845916.db2.gz HFDHRRAMCFPXCC-UHFFFAOYSA-N 1 2 236.275 1.066 20 0 BDADLO CS(=O)(=O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001239700377 980856452 /nfs/dbraw/zinc/85/64/52/980856452.db2.gz HYIIWQMZKIGDBS-UHFFFAOYSA-N 1 2 249.295 1.129 20 0 BDADLO CNc1cc(CNC(=O)N2CCCCC2)cc[nH+]1 ZINC001346777149 980903866 /nfs/dbraw/zinc/90/38/66/980903866.db2.gz CRLRBQZKZBEHAH-UHFFFAOYSA-N 1 2 248.330 1.819 20 0 BDADLO CC[C@@H](F)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001346799123 980908570 /nfs/dbraw/zinc/90/85/70/980908570.db2.gz KCUJBDVBQBUTIE-LLVKDONJSA-N 1 2 238.262 1.419 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001346841597 980918535 /nfs/dbraw/zinc/91/85/35/980918535.db2.gz CVUGBBCFIJQLFJ-XCBNKYQSSA-N 1 2 232.291 1.105 20 0 BDADLO CS(=O)(=O)c1cccc(-c2ccc[nH+]c2N)c1 ZINC001239833944 980976285 /nfs/dbraw/zinc/97/62/85/980976285.db2.gz BTYWKOPPWUMRIU-UHFFFAOYSA-N 1 2 248.307 1.734 20 0 BDADLO CNc1cc(CNC(=O)N2CCCC2)cc[nH+]1 ZINC001347185931 981006909 /nfs/dbraw/zinc/00/69/09/981006909.db2.gz KRSPGHLLOLYOPE-UHFFFAOYSA-N 1 2 234.303 1.429 20 0 BDADLO CNc1cc(-c2ccc(C(N)=O)cc2)cc[nH+]1 ZINC001239874376 981015152 /nfs/dbraw/zinc/01/51/52/981015152.db2.gz ZYUIXCRXCUPEFG-UHFFFAOYSA-N 1 2 227.267 1.889 20 0 BDADLO COc1cncc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001239930073 981041102 /nfs/dbraw/zinc/04/11/02/981041102.db2.gz FBPAJPTVXOMCBK-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C=CCCC2)n1 ZINC001347355202 981054775 /nfs/dbraw/zinc/05/47/75/981054775.db2.gz BKXXXAFLYYUAAH-JTQLQIEISA-N 1 2 235.335 1.626 20 0 BDADLO CN(CCC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC001347378795 981062998 /nfs/dbraw/zinc/06/29/98/981062998.db2.gz APPAJZHAZRQWPH-UHFFFAOYSA-N 1 2 235.209 1.363 20 0 BDADLO CNc1cc(CNC(=O)N[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001347604546 981127374 /nfs/dbraw/zinc/12/73/74/981127374.db2.gz XKMXKBOUMMMTNT-PSASIEDQSA-N 1 2 234.303 1.331 20 0 BDADLO COc1cnnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240214992 981163856 /nfs/dbraw/zinc/16/38/56/981163856.db2.gz NOZSAHPASYPYMB-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO CCn1cc(-c2ccc3[nH+]ccn3c2)ncc1=O ZINC001240220930 981173693 /nfs/dbraw/zinc/17/36/93/981173693.db2.gz CGRTXYIIVKTAQB-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001347888797 981206263 /nfs/dbraw/zinc/20/62/63/981206263.db2.gz IKCIRNMDXHRGIW-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO c1nnc(N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC001348031061 981251306 /nfs/dbraw/zinc/25/13/06/981251306.db2.gz BQUZWYZYGZNESB-UHFFFAOYSA-N 1 2 235.316 1.645 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)[C@H](O)C2)[nH+]1 ZINC001348073341 981270855 /nfs/dbraw/zinc/27/08/55/981270855.db2.gz MFFFZORBDUGMSA-GMSGAONNSA-N 1 2 210.252 1.346 20 0 BDADLO Cn1cc(-c2ccc[nH+]c2N)ccc1=O ZINC001240332292 981300859 /nfs/dbraw/zinc/30/08/59/981300859.db2.gz HMUDYIKAICOWIG-UHFFFAOYSA-N 1 2 201.229 1.030 20 0 BDADLO COCCOC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001193379258 981308630 /nfs/dbraw/zinc/30/86/30/981308630.db2.gz BEVRMEMTNATBLM-UHFFFAOYSA-N 1 2 249.270 1.838 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC(F)F ZINC001348235319 981313893 /nfs/dbraw/zinc/31/38/93/981313893.db2.gz NYMKDXDQKGFSQY-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC(F)F ZINC001348235319 981313899 /nfs/dbraw/zinc/31/38/99/981313899.db2.gz NYMKDXDQKGFSQY-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CCC=CCC1 ZINC001348293940 981330106 /nfs/dbraw/zinc/33/01/06/981330106.db2.gz ICLGLPRDKSMLLX-UHFFFAOYSA-N 1 2 247.342 1.968 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC001348396342 981354405 /nfs/dbraw/zinc/35/44/05/981354405.db2.gz SYQPMNCJYPPMEC-LMLFDSFASA-N 1 2 231.299 1.002 20 0 BDADLO CC1(C)CC(=O)N1C[N@@H+]1CCC[C@](C)(F)C1 ZINC001348471125 981361163 /nfs/dbraw/zinc/36/11/63/981361163.db2.gz PNDGIACWRUQBPY-LBPRGKRZSA-N 1 2 228.311 1.779 20 0 BDADLO CC1(C)CC(=O)N1C[N@H+]1CCC[C@](C)(F)C1 ZINC001348471125 981361172 /nfs/dbraw/zinc/36/11/72/981361172.db2.gz PNDGIACWRUQBPY-LBPRGKRZSA-N 1 2 228.311 1.779 20 0 BDADLO O=C(/C=C/c1nccs1)NCCc1[nH]cc[nH+]1 ZINC001348621309 981407347 /nfs/dbraw/zinc/40/73/47/981407347.db2.gz RATDYTAEJMVEGW-OWOJBTEDSA-N 1 2 248.311 1.238 20 0 BDADLO COC/C=C/C(=O)OCCCc1c[nH+]cn1C ZINC001348637752 981412266 /nfs/dbraw/zinc/41/22/66/981412266.db2.gz NERSUPSWCLXJPH-GQCTYLIASA-N 1 2 238.287 1.099 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1ccc[nH]c1=O ZINC001348725695 981426747 /nfs/dbraw/zinc/42/67/47/981426747.db2.gz JODPBVNZERECPP-UHFFFAOYSA-N 1 2 246.270 1.092 20 0 BDADLO COc1nccc(-c2ccn3cc[nH+]c3c2)c1N ZINC001240503390 981431632 /nfs/dbraw/zinc/43/16/32/981431632.db2.gz NZLBEUUMDNPSFF-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO Cn1cc(-c2ccn3cc[nH+]c3c2)ncc1=O ZINC001240503009 981432201 /nfs/dbraw/zinc/43/22/01/981432201.db2.gz FUBNOJLTTKIFID-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001348788893 981443183 /nfs/dbraw/zinc/44/31/83/981443183.db2.gz JYGINVRNSXNCKI-GUBZILKMSA-N 1 2 239.344 1.454 20 0 BDADLO CC(C)COC(=O)NCCc1[nH+]ccn1C ZINC001193872104 981489315 /nfs/dbraw/zinc/48/93/15/981489315.db2.gz IILHAXZYYIHBSI-UHFFFAOYSA-N 1 2 225.292 1.345 20 0 BDADLO COC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001193918817 981518311 /nfs/dbraw/zinc/51/83/11/981518311.db2.gz TWPHNGARXPCKCY-UHFFFAOYSA-N 1 2 219.244 1.499 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)/C=C\c1ccc[nH]1 ZINC001349276431 981526530 /nfs/dbraw/zinc/52/65/30/981526530.db2.gz BZZDXGJZGYSJAW-PLNGDYQASA-N 1 2 244.298 1.120 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)CCc1[nH+]ccn1C ZINC001349404865 981545582 /nfs/dbraw/zinc/54/55/82/981545582.db2.gz XGLIMJLHQHUZBQ-LLVKDONJSA-N 1 2 235.331 1.610 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C(C)(C)F)co1 ZINC001349519472 981569312 /nfs/dbraw/zinc/56/93/12/981569312.db2.gz BESRPGFUZJFKHC-UHFFFAOYSA-N 1 2 243.282 1.101 20 0 BDADLO O=C(NCCC(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC001349790073 981738263 /nfs/dbraw/zinc/73/82/63/981738263.db2.gz JZBASJQDWDQLOE-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(N2CCOCC2)cc1 ZINC001240764106 981809113 /nfs/dbraw/zinc/80/91/13/981809113.db2.gz OKHATUOXDWSHPI-UHFFFAOYSA-N 1 2 243.310 1.924 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC12CC2 ZINC001349952223 981823397 /nfs/dbraw/zinc/82/33/97/981823397.db2.gz XEHXLCIXJLBHGM-SECBINFHSA-N 1 2 219.288 1.021 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC(n2cc[nH+]c2)CC1 ZINC001583988908 981847837 /nfs/dbraw/zinc/84/78/37/981847837.db2.gz FPZZYTBQAUWMMD-GFCCVEGCSA-N 1 2 245.326 1.847 20 0 BDADLO CCn1c[nH+]cc1COC(=O)COC(C)(C)C ZINC001350344976 981935434 /nfs/dbraw/zinc/93/54/34/981935434.db2.gz PZOUXTOPSUTAQM-UHFFFAOYSA-N 1 2 240.303 1.761 20 0 BDADLO COc1ncc(-c2c[nH+]c(N)c(C)c2)c(OC)n1 ZINC001240904865 981954512 /nfs/dbraw/zinc/95/45/12/981954512.db2.gz ODTFHOBAAPBXMO-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO CC1(C(=O)N2CCc3cc[nH+]c(N)c3C2)CC1 ZINC001586738068 982012512 /nfs/dbraw/zinc/01/25/12/982012512.db2.gz QHEVQPHENYVLCP-UHFFFAOYSA-N 1 2 231.299 1.349 20 0 BDADLO CC1(CC(=O)N2CCc3cc[nH+]c(N)c3C2)CC1 ZINC001586738496 982014958 /nfs/dbraw/zinc/01/49/58/982014958.db2.gz WHGZENZIJRESFA-UHFFFAOYSA-N 1 2 245.326 1.739 20 0 BDADLO COC/C(C)=C\C[N@H+](C)Cc1nccn1C ZINC001351155834 982219491 /nfs/dbraw/zinc/21/94/91/982219491.db2.gz QELIIBVWDUOUGQ-WZUFQYTHSA-N 1 2 223.320 1.445 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)Cc1nccn1C ZINC001351155834 982219497 /nfs/dbraw/zinc/21/94/97/982219497.db2.gz QELIIBVWDUOUGQ-WZUFQYTHSA-N 1 2 223.320 1.445 20 0 BDADLO COC(=O)c1cc(-c2cc[nH+]c(N)c2)cnc1F ZINC001241163166 982302050 /nfs/dbraw/zinc/30/20/50/982302050.db2.gz PSIIPTHZCBJCLB-UHFFFAOYSA-N 1 2 247.229 1.652 20 0 BDADLO COCCOc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241170617 982317722 /nfs/dbraw/zinc/31/77/22/982317722.db2.gz SESKDCHHDVQMCU-UHFFFAOYSA-N 1 2 245.282 1.751 20 0 BDADLO CN1Cc2cc(-c3cc[nH+]c(N)c3)ccc2C1=O ZINC001241171129 982322020 /nfs/dbraw/zinc/32/20/20/982322020.db2.gz VFTGQAKPCPOPRH-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO COCCOc1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241175871 982326516 /nfs/dbraw/zinc/32/65/16/982326516.db2.gz OUVCKRYKSJXRKH-UHFFFAOYSA-N 1 2 245.282 1.751 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001351672959 982355986 /nfs/dbraw/zinc/35/59/86/982355986.db2.gz YATRGTXIOCUUGR-PKIKSRDPSA-N 1 2 239.319 1.658 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001351672960 982357155 /nfs/dbraw/zinc/35/71/55/982357155.db2.gz YATRGTXIOCUUGR-WYOJIJJFSA-N 1 2 239.319 1.658 20 0 BDADLO CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H]2CO)c1 ZINC001351734837 982370542 /nfs/dbraw/zinc/37/05/42/982370542.db2.gz JRRDHWGGZMQUCM-CYBMUJFWSA-N 1 2 248.326 1.254 20 0 BDADLO CCc1cccc(NC(=O)C[N@H+]2CC[C@@H]2CO)c1 ZINC001351734837 982370551 /nfs/dbraw/zinc/37/05/51/982370551.db2.gz JRRDHWGGZMQUCM-CYBMUJFWSA-N 1 2 248.326 1.254 20 0 BDADLO Oc1ccc[nH+]c1NC[C@@H](O)C(F)(F)F ZINC001250958192 982382192 /nfs/dbraw/zinc/38/21/92/982382192.db2.gz RGCDULNGZHRLMY-ZCFIWIBFSA-N 1 2 222.166 1.122 20 0 BDADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)C=CCC1 ZINC001351783102 982385866 /nfs/dbraw/zinc/38/58/66/982385866.db2.gz QJSRBQYYFSQJNX-ZDUSSCGKSA-N 1 2 231.299 1.582 20 0 BDADLO CCC[C@@H](O)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001351799646 982389590 /nfs/dbraw/zinc/38/95/90/982389590.db2.gz CDJWDQFGBZAANK-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO C=C=CCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001351799539 982393635 /nfs/dbraw/zinc/39/36/35/982393635.db2.gz RIZJLRVJZIYHDF-UHFFFAOYSA-N 1 2 232.287 1.264 20 0 BDADLO O[C@H](C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1)C(F)(F)F ZINC001250965092 982400825 /nfs/dbraw/zinc/40/08/25/982400825.db2.gz QFXGINXBNAYAOX-DKXJUACHSA-N 1 2 227.201 1.199 20 0 BDADLO O[C@H](C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1)C(F)(F)F ZINC001250965092 982400828 /nfs/dbraw/zinc/40/08/28/982400828.db2.gz QFXGINXBNAYAOX-DKXJUACHSA-N 1 2 227.201 1.199 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC001352014854 982440275 /nfs/dbraw/zinc/44/02/75/982440275.db2.gz ASKPOEQEBCWCHT-RKDXNWHRSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC001352014854 982440284 /nfs/dbraw/zinc/44/02/84/982440284.db2.gz ASKPOEQEBCWCHT-RKDXNWHRSA-N 1 2 206.293 1.753 20 0 BDADLO CCCCCNC(=S)NCc1c[nH+]cn1C ZINC001200045355 982532010 /nfs/dbraw/zinc/53/20/10/982532010.db2.gz IOKVHODHIMQJTM-UHFFFAOYSA-N 1 2 240.376 1.574 20 0 BDADLO CCOC(=O)[C@H](CCCC(C)C)[NH2+]CCCO ZINC001197631248 982583086 /nfs/dbraw/zinc/58/30/86/982583086.db2.gz YHXIQOSVNIBWPP-LBPRGKRZSA-N 1 2 245.363 1.716 20 0 BDADLO C=CS(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001198603103 982790426 /nfs/dbraw/zinc/79/04/26/982790426.db2.gz SJGHBLNLMCOZCJ-UHFFFAOYSA-N 1 2 249.295 1.758 20 0 BDADLO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1noc(C(F)F)n1 ZINC001353340037 982840182 /nfs/dbraw/zinc/84/01/82/982840182.db2.gz MMZWLHJIIUJWNN-ZLUOBGJFSA-N 1 2 235.234 1.427 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H](C)c2nncn2C)c1C ZINC001353355348 982848193 /nfs/dbraw/zinc/84/81/93/982848193.db2.gz ZZWIZQJBDOMYBE-SECBINFHSA-N 1 2 234.307 1.006 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CCCC[C@H]21 ZINC001300336044 982887011 /nfs/dbraw/zinc/88/70/11/982887011.db2.gz TYKZNMWMISBAMQ-PRULPYPASA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CCCC[C@H]21 ZINC001300336044 982887013 /nfs/dbraw/zinc/88/70/13/982887013.db2.gz TYKZNMWMISBAMQ-PRULPYPASA-N 1 2 245.326 1.914 20 0 BDADLO Cc1nc(N)ncc1-c1ccc2[nH+]ccn2c1C ZINC001241648951 982890328 /nfs/dbraw/zinc/89/03/28/982890328.db2.gz XOBXPOBIIXPFPM-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO CC[C@@H](F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001353610945 982911844 /nfs/dbraw/zinc/91/18/44/982911844.db2.gz SBRHGSMFMPJWOF-SNVBAGLBSA-N 1 2 235.262 1.699 20 0 BDADLO Cc1ccc(N)cc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001353622338 982930985 /nfs/dbraw/zinc/93/09/85/982930985.db2.gz IAKYOVJNRGLWNN-QMMMGPOBSA-N 1 2 243.257 1.498 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cscn2)cc1 ZINC001241892599 983110792 /nfs/dbraw/zinc/11/07/92/983110792.db2.gz LJWDRSBJRCMPIH-LLVKDONJSA-N 1 2 248.307 1.983 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@H](C(N)=O)C2)[nH+]1 ZINC001354062785 983132798 /nfs/dbraw/zinc/13/27/98/983132798.db2.gz YJNNWKJPDDTPLB-VIFPVBQESA-N 1 2 237.278 1.231 20 0 BDADLO O=C([C@H]1C[C@H]1F)N1CCN(c2cccc[nH+]2)CC1 ZINC001354071700 983138545 /nfs/dbraw/zinc/13/85/45/983138545.db2.gz UKHXMIOMLLEEJV-WDEREUQCSA-N 1 2 249.289 1.088 20 0 BDADLO c1cn(CCCNc2cccnc2)c[nH+]1 ZINC000082713359 983157281 /nfs/dbraw/zinc/15/72/81/983157281.db2.gz DNOOQFGQBCHWQR-UHFFFAOYSA-N 1 2 202.261 1.780 20 0 BDADLO Nc1ccc(Nc2ccc(O)cc2O)c[nH+]1 ZINC001201284151 983158096 /nfs/dbraw/zinc/15/80/96/983158096.db2.gz KNXHTABEBHIBRG-UHFFFAOYSA-N 1 2 217.228 1.819 20 0 BDADLO Nc1cc(N2CCOC3(CCCCC3)C2)[nH+]cn1 ZINC001354120702 983163141 /nfs/dbraw/zinc/16/31/41/983163141.db2.gz VYZQNGIROKDIJC-UHFFFAOYSA-N 1 2 248.330 1.598 20 0 BDADLO CC(=O)N1CC=C(c2cccn3cc[nH+]c23)CC1 ZINC001241967883 983175909 /nfs/dbraw/zinc/17/59/09/983175909.db2.gz BBQWGAIMZVQTCR-UHFFFAOYSA-N 1 2 241.294 1.970 20 0 BDADLO Nc1ccc(Nc2ccnn2C2COC2)c[nH+]1 ZINC001201275686 983177527 /nfs/dbraw/zinc/17/75/27/983177527.db2.gz IKSJKBHYNHWVFJ-UHFFFAOYSA-N 1 2 231.259 1.175 20 0 BDADLO Cc1cc2c(cc1-c1[nH]cc[nH+]1)CC(=O)N2 ZINC001242018670 983220595 /nfs/dbraw/zinc/22/05/95/983220595.db2.gz ODRUYHFMFIAJSC-UHFFFAOYSA-N 1 2 213.240 1.880 20 0 BDADLO CN1C(=O)NCc2cc(-c3[nH]cc[nH+]3)ccc21 ZINC001242018957 983224109 /nfs/dbraw/zinc/22/41/09/983224109.db2.gz GMFXKUKICIFZQA-UHFFFAOYSA-N 1 2 228.255 1.736 20 0 BDADLO Cc1cnc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)o1 ZINC001354266595 983237813 /nfs/dbraw/zinc/23/78/13/983237813.db2.gz QTIOLBUNGICYOG-MNOVXSKESA-N 1 2 238.335 1.029 20 0 BDADLO Cc1cnc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)o1 ZINC001354266595 983237820 /nfs/dbraw/zinc/23/78/20/983237820.db2.gz QTIOLBUNGICYOG-MNOVXSKESA-N 1 2 238.335 1.029 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=S)NC1CC1 ZINC001200629467 983279524 /nfs/dbraw/zinc/27/95/24/983279524.db2.gz VYFVHWONLYSVQY-UHFFFAOYSA-N 1 2 238.360 1.242 20 0 BDADLO CCC(CC)C[N@@H+]1CCOC[C@]1(C)C(=O)OC ZINC001201534371 983289885 /nfs/dbraw/zinc/28/98/85/983289885.db2.gz GZYCAYBMSBFFMS-CYBMUJFWSA-N 1 2 243.347 1.687 20 0 BDADLO CCC(CC)C[N@H+]1CCOC[C@]1(C)C(=O)OC ZINC001201534371 983289890 /nfs/dbraw/zinc/28/98/90/983289890.db2.gz GZYCAYBMSBFFMS-CYBMUJFWSA-N 1 2 243.347 1.687 20 0 BDADLO COc1cncnc1-c1c[nH+]c(N)cc1C ZINC001242071240 983304676 /nfs/dbraw/zinc/30/46/76/983304676.db2.gz XLOYLVOUFNOXNO-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ccc(N(C)C)nn1 ZINC001242071106 983304713 /nfs/dbraw/zinc/30/47/13/983304713.db2.gz UIPPIVCXMDZWNO-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO COC(=O)c1cnc(-c2c[nH+]c(N)cc2C)cn1 ZINC001242070894 983305207 /nfs/dbraw/zinc/30/52/07/983305207.db2.gz OTLOHBWGXZOEHV-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Cc1cnnc(-c2c[nH+]c(N)cc2C)c1 ZINC001242070568 983305272 /nfs/dbraw/zinc/30/52/72/983305272.db2.gz COYRBCAMJOENPI-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO COC(=O)c1cncnc1-c1c[nH+]c(N)cc1C ZINC001242072244 983308148 /nfs/dbraw/zinc/30/81/48/983308148.db2.gz FYMVIUPDLLWQMD-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc(F)cc1C(N)=O ZINC001242078414 983328625 /nfs/dbraw/zinc/32/86/25/983328625.db2.gz KDHZUKOTKCULLB-UHFFFAOYSA-N 1 2 246.245 1.272 20 0 BDADLO C[N@H+](CCCCCO)Cc1nncs1 ZINC001354724691 983350108 /nfs/dbraw/zinc/35/01/08/983350108.db2.gz GDPASSAILMXSMX-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO C[N@@H+](CCCCCO)Cc1nncs1 ZINC001354724691 983350115 /nfs/dbraw/zinc/35/01/15/983350115.db2.gz GDPASSAILMXSMX-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO CC(C)CC[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201629967 983358420 /nfs/dbraw/zinc/35/84/20/983358420.db2.gz GXFVXQOVNAKECD-UHFFFAOYSA-N 1 2 247.342 1.776 20 0 BDADLO CC(C)CC[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201629967 983358425 /nfs/dbraw/zinc/35/84/25/983358425.db2.gz GXFVXQOVNAKECD-UHFFFAOYSA-N 1 2 247.342 1.776 20 0 BDADLO CC(C)NC(=S)NCc1c[nH+]cn1CCF ZINC001200793935 983373871 /nfs/dbraw/zinc/37/38/71/983373871.db2.gz VLRFISUBKGFDOR-UHFFFAOYSA-N 1 2 244.339 1.225 20 0 BDADLO CC[C@@H](C)N1CC2(C[NH+](C(C)C)C2)OCC1=O ZINC001273913328 983497091 /nfs/dbraw/zinc/49/70/91/983497091.db2.gz NDJJEXYLOLBMDS-LLVKDONJSA-N 1 2 240.347 1.107 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)Cc1ccc(F)cc1 ZINC001356586626 983633669 /nfs/dbraw/zinc/63/36/69/983633669.db2.gz UARVLDGUZIATSP-SNVBAGLBSA-N 1 2 233.233 1.584 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1CCCC(F)(F)F ZINC001202415024 983650077 /nfs/dbraw/zinc/65/00/77/983650077.db2.gz GYDHIWGNBKHNIP-UHFFFAOYSA-N 1 2 238.253 1.539 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1CCCC(F)(F)F ZINC001202415024 983650086 /nfs/dbraw/zinc/65/00/86/983650086.db2.gz GYDHIWGNBKHNIP-UHFFFAOYSA-N 1 2 238.253 1.539 20 0 BDADLO FC(F)(F)CCC[N@@H+]1CCC12COC2 ZINC001202425082 983654282 /nfs/dbraw/zinc/65/42/82/983654282.db2.gz UWZNUKRFYWZQHJ-UHFFFAOYSA-N 1 2 209.211 1.804 20 0 BDADLO FC(F)(F)CCC[N@H+]1CCC12COC2 ZINC001202425082 983654289 /nfs/dbraw/zinc/65/42/89/983654289.db2.gz UWZNUKRFYWZQHJ-UHFFFAOYSA-N 1 2 209.211 1.804 20 0 BDADLO [NH3+]Cc1ncc(-c2cccc(Cl)c2O)cn1 ZINC001242365926 983656523 /nfs/dbraw/zinc/65/65/23/983656523.db2.gz BOFWZLVMKURWSD-UHFFFAOYSA-N 1 2 235.674 1.961 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001252108190 983667159 /nfs/dbraw/zinc/66/71/59/983667159.db2.gz MFWZROOMLDSPGB-NEPJUHHUSA-N 1 2 245.363 1.715 20 0 BDADLO FC[C@H]1CC[N@@H+](C[C@@H]2CCOC2)CC1(F)F ZINC001202465393 983676538 /nfs/dbraw/zinc/67/65/38/983676538.db2.gz RWFFMTRQVMJFQL-VHSXEESVSA-N 1 2 237.265 1.950 20 0 BDADLO FC[C@H]1CC[N@H+](C[C@@H]2CCOC2)CC1(F)F ZINC001202465393 983676537 /nfs/dbraw/zinc/67/65/37/983676537.db2.gz RWFFMTRQVMJFQL-VHSXEESVSA-N 1 2 237.265 1.950 20 0 BDADLO CCCCOC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001252500278 983801182 /nfs/dbraw/zinc/80/11/82/983801182.db2.gz BYWALFRFMRASCS-LLVKDONJSA-N 1 2 239.319 1.375 20 0 BDADLO CC(C)NC(=O)NCc1c[nH+]cn1C(C)C ZINC001202534994 983891518 /nfs/dbraw/zinc/89/15/18/983891518.db2.gz RUVISEMDZPFHIY-UHFFFAOYSA-N 1 2 224.308 1.672 20 0 BDADLO C=Cn1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cn1 ZINC001560472262 983934384 /nfs/dbraw/zinc/93/43/84/983934384.db2.gz SKEWZYKKOGIYJD-PWSUYJOCSA-N 1 2 243.314 1.976 20 0 BDADLO CC(C)N(C(=O)CCn1cc[nH+]c1)C(C)C ZINC000200810956 983966775 /nfs/dbraw/zinc/96/67/75/983966775.db2.gz PSIYFFDQKVIJHE-UHFFFAOYSA-N 1 2 223.320 1.919 20 0 BDADLO CCNC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001202550096 984021924 /nfs/dbraw/zinc/02/19/24/984021924.db2.gz RVDRKMZXKJSHJW-UHFFFAOYSA-N 1 2 232.287 1.462 20 0 BDADLO COc1cc[nH+]cc1Nc1cccc(=O)[nH]1 ZINC001212787987 984022062 /nfs/dbraw/zinc/02/20/62/984022062.db2.gz WXKSOUBOQZLPCF-UHFFFAOYSA-N 1 2 217.228 1.934 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001570900766 984028826 /nfs/dbraw/zinc/02/88/26/984028826.db2.gz YARZIOZENDNKHA-UTUOFQBUSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001570900766 984028838 /nfs/dbraw/zinc/02/88/38/984028838.db2.gz YARZIOZENDNKHA-UTUOFQBUSA-N 1 2 249.314 1.026 20 0 BDADLO CCCCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC001253549750 984201848 /nfs/dbraw/zinc/20/18/48/984201848.db2.gz DKGQCVGYNWHRKG-VXGBXAGGSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1ncccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319237196 984255802 /nfs/dbraw/zinc/25/58/02/984255802.db2.gz WOJFBTNPFKHTEL-SNVBAGLBSA-N 1 2 230.271 1.786 20 0 BDADLO c1cn(Cc2ccc(-c3ccncn3)nc2)c[nH+]1 ZINC001242915432 984281649 /nfs/dbraw/zinc/28/16/49/984281649.db2.gz JGSBGJRQSZAQDS-UHFFFAOYSA-N 1 2 237.266 1.783 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccncn2)cc1 ZINC001242917553 984288987 /nfs/dbraw/zinc/28/89/87/984288987.db2.gz AYKJYMIZMYNRDD-GFCCVEGCSA-N 1 2 243.266 1.316 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000380051041 984309090 /nfs/dbraw/zinc/30/90/90/984309090.db2.gz WYIMQLGWMJSNNB-VHSXEESVSA-N 1 2 207.277 1.188 20 0 BDADLO CC(C)c1nc(C(=O)N2CC3(CC[N@@H+]3C)C2)co1 ZINC001274652147 984358225 /nfs/dbraw/zinc/35/82/25/984358225.db2.gz YXOGOWQANBKBMW-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CC(C)c1nc(C(=O)N2CC3(CC[N@H+]3C)C2)co1 ZINC001274652147 984358238 /nfs/dbraw/zinc/35/82/38/984358238.db2.gz YXOGOWQANBKBMW-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CC[NH2+]C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001274759520 984373010 /nfs/dbraw/zinc/37/30/10/984373010.db2.gz CBUXASDGTFMMPH-PHDIDXHHSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+]C[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001274759520 984373020 /nfs/dbraw/zinc/37/30/20/984373020.db2.gz CBUXASDGTFMMPH-PHDIDXHHSA-N 1 2 230.205 1.001 20 0 BDADLO Nc1cccc(C2=CCN(C(=O)C3CC3)CC2)[nH+]1 ZINC001243025553 984377054 /nfs/dbraw/zinc/37/70/54/984377054.db2.gz NYSWXGFABKLEOS-UHFFFAOYSA-N 1 2 243.310 1.690 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CN(C)C2=O ZINC001243067163 984477170 /nfs/dbraw/zinc/47/71/70/984477170.db2.gz GGMDVGNHDSJTOE-UHFFFAOYSA-N 1 2 227.267 1.673 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CS(=O)(=O)C2 ZINC001243068880 984487023 /nfs/dbraw/zinc/48/70/23/984487023.db2.gz KGXRLXCXVVCDPU-UHFFFAOYSA-N 1 2 248.307 1.516 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CNC(=O)C2 ZINC001243068822 984488427 /nfs/dbraw/zinc/48/84/27/984488427.db2.gz HNCLIUUNMSNVJQ-UHFFFAOYSA-N 1 2 227.267 1.259 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CNC(=O)N2C ZINC001243070296 984495992 /nfs/dbraw/zinc/49/59/92/984495992.db2.gz QSWPXGSYTMUBRK-UHFFFAOYSA-N 1 2 242.282 1.747 20 0 BDADLO Cc1nc2c(ncc(-c3c[nH+]cn3C)c2C)[nH]1 ZINC001243071001 984499619 /nfs/dbraw/zinc/49/96/19/984499619.db2.gz DVJZNQUJPBKETD-UHFFFAOYSA-N 1 2 227.271 1.975 20 0 BDADLO Cc1cscc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001446388266 984654363 /nfs/dbraw/zinc/65/43/63/984654363.db2.gz PUHXKHROEQPYGT-UHFFFAOYSA-N 1 2 221.285 1.961 20 0 BDADLO OC[C@H]([NH2+]C1CCC2(CC2)CC1)c1c[nH]nn1 ZINC001578050756 984835894 /nfs/dbraw/zinc/83/58/94/984835894.db2.gz CVMJQUQNKTZBBK-NSHDSACASA-N 1 2 236.319 1.151 20 0 BDADLO CCC(CC)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257301132 984874805 /nfs/dbraw/zinc/87/48/05/984874805.db2.gz QQFJWHLLNPSNEP-SECBINFHSA-N 1 2 207.264 1.877 20 0 BDADLO CCC(CC)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257301132 984874810 /nfs/dbraw/zinc/87/48/10/984874810.db2.gz QQFJWHLLNPSNEP-SECBINFHSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCCC[N@H+]2C)oc1C ZINC001453668324 985001303 /nfs/dbraw/zinc/00/13/03/985001303.db2.gz VESGLXXDJFOORV-SNVBAGLBSA-N 1 2 237.303 1.714 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C)oc1C ZINC001453668324 985001316 /nfs/dbraw/zinc/00/13/16/985001316.db2.gz VESGLXXDJFOORV-SNVBAGLBSA-N 1 2 237.303 1.714 20 0 BDADLO CC[C@@H](C)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001257436591 985011190 /nfs/dbraw/zinc/01/11/90/985011190.db2.gz XXEUTUXHDFXQGL-NOZJJQNGSA-N 1 2 237.299 1.664 20 0 BDADLO Cc1cc(-c2ccc[nH+]c2N)cc(=O)o1 ZINC001243473191 985020621 /nfs/dbraw/zinc/02/06/21/985020621.db2.gz GPLBLBITYPLNKJ-UHFFFAOYSA-N 1 2 202.213 1.592 20 0 BDADLO COC(=O)c1cc(-c2ccc[nH+]c2N)cnc1F ZINC001243473659 985023561 /nfs/dbraw/zinc/02/35/61/985023561.db2.gz DTAPZTYMTIBBLT-UHFFFAOYSA-N 1 2 247.229 1.652 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2c(c1)CC(=O)N2 ZINC001243473501 985024686 /nfs/dbraw/zinc/02/46/86/985024686.db2.gz BOIWOUUTADIDBN-UHFFFAOYSA-N 1 2 226.239 1.220 20 0 BDADLO CONC(=O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001243476293 985028582 /nfs/dbraw/zinc/02/85/82/985028582.db2.gz AEAVREXPXLGWNP-UHFFFAOYSA-N 1 2 244.254 1.017 20 0 BDADLO COCOc1cncc(-c2ccc[nH+]c2N)c1 ZINC001243476978 985034351 /nfs/dbraw/zinc/03/43/51/985034351.db2.gz HDXLYBCXWLVPSM-UHFFFAOYSA-N 1 2 231.255 1.709 20 0 BDADLO Cc1c2nc[nH]c2ncc1-c1ccc[nH+]c1N ZINC001243477093 985037580 /nfs/dbraw/zinc/03/75/80/985037580.db2.gz ZVNCWTBIDQEZLX-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO C[C@H](C(=O)Nc1cccc(F)c1O)n1cc[nH+]c1 ZINC001454760596 985049518 /nfs/dbraw/zinc/04/95/18/985049518.db2.gz YRUKNDZXLMRQMF-MRVPVSSYSA-N 1 2 249.245 1.928 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000686470219 985121155 /nfs/dbraw/zinc/12/11/55/985121155.db2.gz JIKIDUOSHUYGGE-HRDYMLBCSA-N 1 2 225.292 1.460 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001589445747 985183987 /nfs/dbraw/zinc/18/39/87/985183987.db2.gz WEOGJWQCLCICBC-ZJUUUORDSA-N 1 2 237.303 1.073 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001589445747 985184000 /nfs/dbraw/zinc/18/40/00/985184000.db2.gz WEOGJWQCLCICBC-ZJUUUORDSA-N 1 2 237.303 1.073 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+](C)C[C@@H]1CCCO1 ZINC000156681153 985267952 /nfs/dbraw/zinc/26/79/52/985267952.db2.gz PPCNEYWZMIEJJF-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000156681153 985267965 /nfs/dbraw/zinc/26/79/65/985267965.db2.gz PPCNEYWZMIEJJF-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO COC(=O)C1CCC([N@H+]2C[C@@H](F)[C@@H](F)C2)CC1 ZINC001257859862 985285717 /nfs/dbraw/zinc/28/57/17/985285717.db2.gz DWWPHNOZTNUAPA-HWACXVBKSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)C1CCC([N@@H+]2C[C@@H](F)[C@@H](F)C2)CC1 ZINC001257859862 985285737 /nfs/dbraw/zinc/28/57/37/985285737.db2.gz DWWPHNOZTNUAPA-HWACXVBKSA-N 1 2 247.285 1.710 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)CCOC ZINC000159476802 985351794 /nfs/dbraw/zinc/35/17/94/985351794.db2.gz CRXYDVODNXECET-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)CCOC ZINC000159476802 985351814 /nfs/dbraw/zinc/35/18/14/985351814.db2.gz CRXYDVODNXECET-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CCC[C@H](O)C2)o1 ZINC000687797964 985386281 /nfs/dbraw/zinc/38/62/81/985386281.db2.gz IDSHYDUAQUGADD-JTQLQIEISA-N 1 2 224.304 1.755 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CCC[C@H](O)C2)o1 ZINC000687797964 985386293 /nfs/dbraw/zinc/38/62/93/985386293.db2.gz IDSHYDUAQUGADD-JTQLQIEISA-N 1 2 224.304 1.755 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC000687797037 985389734 /nfs/dbraw/zinc/38/97/34/985389734.db2.gz CKWZINNRSZBVRC-VIFPVBQESA-N 1 2 210.277 1.365 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC000687797037 985389743 /nfs/dbraw/zinc/38/97/43/985389743.db2.gz CKWZINNRSZBVRC-VIFPVBQESA-N 1 2 210.277 1.365 20 0 BDADLO CCOC(=O)COCCn1c[nH+]c(CC)c1 ZINC001459259093 985417772 /nfs/dbraw/zinc/41/77/72/985417772.db2.gz HAFKCRJVVPUJMB-UHFFFAOYSA-N 1 2 226.276 1.025 20 0 BDADLO Cc1cn2cc(-c3cnc(N)nc3)ccc2[nH+]1 ZINC001243874692 985534392 /nfs/dbraw/zinc/53/43/92/985534392.db2.gz FQZWUIXOEVURJE-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CCOC(=O)C1([NH2+][C@H](C)CCSC)CC1 ZINC001258201523 985610183 /nfs/dbraw/zinc/61/01/83/985610183.db2.gz DCPAKDMXJHXTDP-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO c1cnc2ncnc(C3=C[NH2+]CCC3)c2c1 ZINC001243947077 985623877 /nfs/dbraw/zinc/62/38/77/985623877.db2.gz DBZLQEQWORRFAC-UHFFFAOYSA-N 1 2 212.256 1.749 20 0 BDADLO COc1nccc2c(C3=C[NH2+]CCC3)ncnc21 ZINC001243947207 985624916 /nfs/dbraw/zinc/62/49/16/985624916.db2.gz FJJXDVWKOYOQFY-UHFFFAOYSA-N 1 2 242.282 1.758 20 0 BDADLO CCOC(=O)Cc1cncnc1C1=C[NH2+]CCC1 ZINC001243947326 985625576 /nfs/dbraw/zinc/62/55/76/985625576.db2.gz HFEITKDICUFKCK-UHFFFAOYSA-N 1 2 247.298 1.307 20 0 BDADLO CSc1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243947930 985631048 /nfs/dbraw/zinc/63/10/48/985631048.db2.gz SFHDBDMTDRLJBV-UHFFFAOYSA-N 1 2 207.302 1.923 20 0 BDADLO c1c2c(nnc1C1=C[NH2+]CCC1)CCC2 ZINC001243948865 985639235 /nfs/dbraw/zinc/63/92/35/985639235.db2.gz DQCCURFEESUHAP-UHFFFAOYSA-N 1 2 201.273 1.690 20 0 BDADLO COc1nc(SC)ncc1C1=C[NH2+]CCC1 ZINC001243950728 985651078 /nfs/dbraw/zinc/65/10/78/985651078.db2.gz LXHPSZLWTCEJNL-UHFFFAOYSA-N 1 2 237.328 1.931 20 0 BDADLO Cc1cccnc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC001460221596 985809777 /nfs/dbraw/zinc/80/97/77/985809777.db2.gz COCNPOMTENNFMG-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)C[C@H](CO)C2)no1 ZINC001460267856 985828090 /nfs/dbraw/zinc/82/80/90/985828090.db2.gz SVPNXYYNXKDWGT-QXEWZRGKSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](C)C[C@H](CO)C2)no1 ZINC001460267856 985828093 /nfs/dbraw/zinc/82/80/93/985828093.db2.gz SVPNXYYNXKDWGT-QXEWZRGKSA-N 1 2 239.319 1.389 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@H+]1C[C@@H](O)C1CC1 ZINC001460939184 985954063 /nfs/dbraw/zinc/95/40/63/985954063.db2.gz SIYXSGFROGUDRR-PSASIEDQSA-N 1 2 219.275 1.877 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH+]1CCC(=O)CC1 ZINC001258489797 985950434 /nfs/dbraw/zinc/95/04/34/985950434.db2.gz SNYPGLAXZAOJCU-JTQLQIEISA-N 1 2 227.304 1.383 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@@H+]1C[C@@H](O)C1CC1 ZINC001460939184 985954046 /nfs/dbraw/zinc/95/40/46/985954046.db2.gz SIYXSGFROGUDRR-PSASIEDQSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001579495622 986023153 /nfs/dbraw/zinc/02/31/53/986023153.db2.gz AZRYGMMIQQIJGV-QYNIQEEDSA-N 1 2 242.216 1.144 20 0 BDADLO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001579495622 986023164 /nfs/dbraw/zinc/02/31/64/986023164.db2.gz AZRYGMMIQQIJGV-QYNIQEEDSA-N 1 2 242.216 1.144 20 0 BDADLO CCCc1ncc(C[NH2+]Cc2cc(C)n[nH]2)o1 ZINC001461499590 986066496 /nfs/dbraw/zinc/06/64/96/986066496.db2.gz IJBIJFDOIAZDLN-UHFFFAOYSA-N 1 2 234.303 1.948 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@H]1CCn2ccnc21 ZINC001461520964 986074702 /nfs/dbraw/zinc/07/47/02/986074702.db2.gz KNIXWASNUVVDOP-NSHDSACASA-N 1 2 246.289 1.960 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ccn(CC)n2)cn1 ZINC001461580134 986086681 /nfs/dbraw/zinc/08/66/81/986086681.db2.gz VFELUYFKAGZLFQ-UHFFFAOYSA-N 1 2 245.330 1.545 20 0 BDADLO c1n[nH]c(C[NH2+][C@H]2CCc3cccnc3CC2)n1 ZINC001461839949 986190506 /nfs/dbraw/zinc/19/05/06/986190506.db2.gz ABYQFLOWDGYLLF-NSHDSACASA-N 1 2 243.314 1.237 20 0 BDADLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1F ZINC001038002527 986246564 /nfs/dbraw/zinc/24/65/64/986246564.db2.gz LPVAEIFBLXTEON-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1F ZINC001038002527 986246573 /nfs/dbraw/zinc/24/65/73/986246573.db2.gz LPVAEIFBLXTEON-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO Cc1cc(CO)ccc1-c1c[nH+]cn1C ZINC001244581744 986268215 /nfs/dbraw/zinc/26/82/15/986268215.db2.gz KIERSAAYRJFMMP-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO CCCn1c[nH+]cc1CN[C@H](C)c1noc(C)n1 ZINC001462290810 986338319 /nfs/dbraw/zinc/33/83/19/986338319.db2.gz NAUMZMQGLPXADU-SECBINFHSA-N 1 2 249.318 1.835 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc(O)c(CO)c1 ZINC001244777448 986344549 /nfs/dbraw/zinc/34/45/49/986344549.db2.gz YTKAYAKYZHGSHD-YGQDEOHPSA-N 1 2 205.257 1.760 20 0 BDADLO Cc1noc(C2C[NH+](Cc3conc3C)C2)n1 ZINC001462312343 986347784 /nfs/dbraw/zinc/34/77/84/986347784.db2.gz CAJQZLZLYICIOE-UHFFFAOYSA-N 1 2 234.259 1.274 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@]2(C)CCCCO2)o1 ZINC001462418126 986384522 /nfs/dbraw/zinc/38/45/22/986384522.db2.gz PUOMJWAAJLVBJS-GFCCVEGCSA-N 1 2 239.319 1.769 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@]2(C)CCCCO2)o1 ZINC001462418126 986384510 /nfs/dbraw/zinc/38/45/10/986384510.db2.gz PUOMJWAAJLVBJS-GFCCVEGCSA-N 1 2 239.319 1.769 20 0 BDADLO Cn1nncc1CNc1ccc2c(c1)CC[NH2+]2 ZINC001580016809 986416544 /nfs/dbraw/zinc/41/65/44/986416544.db2.gz CNHAEOAVRQOSJY-UHFFFAOYSA-N 1 2 229.287 1.395 20 0 BDADLO CC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096553244 986446897 /nfs/dbraw/zinc/44/68/97/986446897.db2.gz PJDMVBMCXSWLGS-LLVKDONJSA-N 1 2 234.303 1.112 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cccnn2)c1 ZINC001546133545 986513162 /nfs/dbraw/zinc/51/31/62/986513162.db2.gz SDOBVSVPPJFJBG-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)no1 ZINC001262011092 986533448 /nfs/dbraw/zinc/53/34/48/986533448.db2.gz YEEHMKYEFHTJKQ-YWVKMMECSA-N 1 2 239.319 1.986 20 0 BDADLO CCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097143272 986539137 /nfs/dbraw/zinc/53/91/37/986539137.db2.gz MKFBAKYFGQCKTR-PHIMTYICSA-N 1 2 248.330 1.644 20 0 BDADLO CNc1cc(N2CCC[C@H](F)C2)nc[nH+]1 ZINC000689399871 986559521 /nfs/dbraw/zinc/55/95/21/986559521.db2.gz LCGYHRYSRADKDA-QMMMGPOBSA-N 1 2 210.256 1.457 20 0 BDADLO CNc1cc(N2CCC[C@H](F)C2)[nH+]cn1 ZINC000689399871 986559541 /nfs/dbraw/zinc/55/95/41/986559541.db2.gz LCGYHRYSRADKDA-QMMMGPOBSA-N 1 2 210.256 1.457 20 0 BDADLO CNc1cc(-c2cnc(C)c(C(N)=O)c2)cc[nH+]1 ZINC001244978285 986568685 /nfs/dbraw/zinc/56/86/85/986568685.db2.gz PMMXCZRUOVODRL-UHFFFAOYSA-N 1 2 242.282 1.593 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3cccnc3C2)s1 ZINC001139230782 986578043 /nfs/dbraw/zinc/57/80/43/986578043.db2.gz HKJXOXPEOHITIT-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3cccnc3C2)s1 ZINC001139230782 986578061 /nfs/dbraw/zinc/57/80/61/986578061.db2.gz HKJXOXPEOHITIT-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1CCCC[C@H]1F)C(F)F ZINC001580121286 986585869 /nfs/dbraw/zinc/58/58/69/986585869.db2.gz PJEILBWDWBKKSB-BWZBUEFSSA-N 1 2 238.253 1.366 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC001463970512 986595134 /nfs/dbraw/zinc/59/51/34/986595134.db2.gz ZKYQGXAMFTVPQJ-GFCCVEGCSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC001463970512 986595153 /nfs/dbraw/zinc/59/51/53/986595153.db2.gz ZKYQGXAMFTVPQJ-GFCCVEGCSA-N 1 2 244.298 1.596 20 0 BDADLO COC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001464359777 986624123 /nfs/dbraw/zinc/62/41/23/986624123.db2.gz PXVDPBWFGFXFES-LBPRGKRZSA-N 1 2 245.282 1.980 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)CC1 ZINC001465001108 986681809 /nfs/dbraw/zinc/68/18/09/986681809.db2.gz QWPVFBKKXOGHRO-HOMQSWHASA-N 1 2 235.331 1.956 20 0 BDADLO Cc1c(CN2CC(F)C2)[nH+]c2ccccn12 ZINC001137267369 986703347 /nfs/dbraw/zinc/70/33/47/986703347.db2.gz XETSBHBVSCCEGT-UHFFFAOYSA-N 1 2 219.263 1.796 20 0 BDADLO Cc1c(CN2CCO[C@@H](C)C2)[nH+]c2ccccn21 ZINC001137267926 986708906 /nfs/dbraw/zinc/70/89/06/986708906.db2.gz LYYBLBYEBXZQHD-NSHDSACASA-N 1 2 245.326 1.863 20 0 BDADLO [NH3+]C[C@]12C[N@@H+](Cc3cnc[nH]3)C[C@H]1CCCC2 ZINC001580256901 986710196 /nfs/dbraw/zinc/71/01/96/986710196.db2.gz ZOXQHRWNIHMLCE-DGCLKSJQSA-N 1 2 234.347 1.361 20 0 BDADLO Cc1cc(C)c(C[NH+]2CC3(C2)CCCO3)[nH]1 ZINC001137323133 986769741 /nfs/dbraw/zinc/76/97/41/986769741.db2.gz YRHZWPWXRMKMGB-UHFFFAOYSA-N 1 2 220.316 1.996 20 0 BDADLO CN(OCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001466271368 986786251 /nfs/dbraw/zinc/78/62/51/986786251.db2.gz MKXXPTXQIXZLRX-UHFFFAOYSA-N 1 2 245.282 1.542 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC/C=C\c1ccccc1 ZINC001466494240 986803995 /nfs/dbraw/zinc/80/39/95/986803995.db2.gz HPUCICABYWZDQR-DAXSKMNVSA-N 1 2 241.294 1.782 20 0 BDADLO CC(C)(C)c1ccc(C[N@@H+]2CCNC(=O)CC2)[nH]1 ZINC001137370497 986835786 /nfs/dbraw/zinc/83/57/86/986835786.db2.gz GGRSNMVQHDGGLJ-UHFFFAOYSA-N 1 2 249.358 1.634 20 0 BDADLO CC(C)(C)c1ccc(C[N@H+]2CCNC(=O)CC2)[nH]1 ZINC001137370497 986835791 /nfs/dbraw/zinc/83/57/91/986835791.db2.gz GGRSNMVQHDGGLJ-UHFFFAOYSA-N 1 2 249.358 1.634 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001467324883 986847960 /nfs/dbraw/zinc/84/79/60/986847960.db2.gz CQXIYUGUDUTCLS-CABZTGNLSA-N 1 2 235.331 1.908 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c2ncccc12 ZINC001137403344 986879356 /nfs/dbraw/zinc/87/93/56/986879356.db2.gz JWWSYCNYMVNLLA-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c2ncccc12 ZINC001137403344 986879359 /nfs/dbraw/zinc/87/93/59/986879359.db2.gz JWWSYCNYMVNLLA-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COCc1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245535966 986913284 /nfs/dbraw/zinc/91/32/84/986913284.db2.gz IZTRGVLGDHLBRK-UHFFFAOYSA-N 1 2 230.271 1.576 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)nc1F ZINC001137470591 986915318 /nfs/dbraw/zinc/91/53/18/986915318.db2.gz DUTQJAFDRVLPJW-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)nc1F ZINC001137470591 986915326 /nfs/dbraw/zinc/91/53/26/986915326.db2.gz DUTQJAFDRVLPJW-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO CCn1ncc(-c2c[nH+]c(N)c(C)c2)cc1=O ZINC001245539678 986928203 /nfs/dbraw/zinc/92/82/03/986928203.db2.gz IOQITRRPPWUGJT-UHFFFAOYSA-N 1 2 230.271 1.216 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C\c2ccc[nH]2)c1 ZINC001468815201 986941574 /nfs/dbraw/zinc/94/15/74/986941574.db2.gz LPBBHBSHSPWNSF-PLNGDYQASA-N 1 2 244.298 1.120 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@]2(C)CCCCO2)nn1 ZINC001462435280 986950448 /nfs/dbraw/zinc/95/04/48/986950448.db2.gz CWBYBHQLWWXFIX-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@]2(C)CCCCO2)nn1 ZINC001462435280 986950457 /nfs/dbraw/zinc/95/04/57/986950457.db2.gz CWBYBHQLWWXFIX-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@@]2(C)CCCCO2)nn1 ZINC001462435245 986950524 /nfs/dbraw/zinc/95/05/24/986950524.db2.gz CWBYBHQLWWXFIX-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@@]2(C)CCCCO2)nn1 ZINC001462435245 986950532 /nfs/dbraw/zinc/95/05/32/986950532.db2.gz CWBYBHQLWWXFIX-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO C[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CS1 ZINC001469010006 986957532 /nfs/dbraw/zinc/95/75/32/986957532.db2.gz IFUOFXZDLUQWDE-IUCAKERBSA-N 1 2 239.344 1.353 20 0 BDADLO CCC(CC)([NH2+][C@H](C)COC)C(=O)OC ZINC001255567682 987021540 /nfs/dbraw/zinc/02/15/40/987021540.db2.gz YCKQHIHQIAILBF-SECBINFHSA-N 1 2 217.309 1.343 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CCO[C@H](CO)C1 ZINC001255646325 987046380 /nfs/dbraw/zinc/04/63/80/987046380.db2.gz NHSQGDOFNDVDBI-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CCO[C@H](CO)C1 ZINC001255646325 987046390 /nfs/dbraw/zinc/04/63/90/987046390.db2.gz NHSQGDOFNDVDBI-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001471495666 987094400 /nfs/dbraw/zinc/09/44/00/987094400.db2.gz YKHLKXHFSKPDPJ-RYUDHWBXSA-N 1 2 247.342 1.680 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cn(CC)cn2)c[nH+]1 ZINC001472020039 987156055 /nfs/dbraw/zinc/15/60/55/987156055.db2.gz AFILNBVWIGWFKX-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cn(CC)cn2)[nH+]1 ZINC001472020039 987156078 /nfs/dbraw/zinc/15/60/78/987156078.db2.gz AFILNBVWIGWFKX-UHFFFAOYSA-N 1 2 247.302 1.119 20 0 BDADLO COc1ccc(CCn2[nH]c(C[NH3+])cc2=O)cc1 ZINC001245924676 987167549 /nfs/dbraw/zinc/16/75/49/987167549.db2.gz PMVZJYNNUBAHPT-UHFFFAOYSA-N 1 2 247.298 1.299 20 0 BDADLO C[C@H](c1ccccc1)n1[nH]c(C[NH3+])cc1=O ZINC001245922299 987167604 /nfs/dbraw/zinc/16/76/04/987167604.db2.gz BRDSSVXQRCRJKJ-SECBINFHSA-N 1 2 217.272 1.657 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)Cc2cc[nH]n2)[nH+]1 ZINC001472094808 987173058 /nfs/dbraw/zinc/17/30/58/987173058.db2.gz LLUBXNIYJHZVNV-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)Cc2cc[nH]n2)c[nH+]1 ZINC001472094808 987173071 /nfs/dbraw/zinc/17/30/71/987173071.db2.gz LLUBXNIYJHZVNV-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO COc1ccc([C@@H](C)n2[nH]c(C[NH3+])cc2=O)cc1 ZINC001245925328 987175195 /nfs/dbraw/zinc/17/51/95/987175195.db2.gz MRTDPYMOOXKYLV-SECBINFHSA-N 1 2 247.298 1.665 20 0 BDADLO C[C@H](n1[nH]c(C[NH3+])cc1=O)C(F)(F)F ZINC001245924394 987175614 /nfs/dbraw/zinc/17/56/14/987175614.db2.gz FFLOMHGTVWZSMK-BYPYZUCNSA-N 1 2 209.171 1.171 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1Cc1ccc(F)cc1 ZINC001245926651 987183848 /nfs/dbraw/zinc/18/38/48/987183848.db2.gz DJXQBNYAQVIQFJ-UHFFFAOYSA-N 1 2 247.273 1.463 20 0 BDADLO C[NH+](C)CCN1N=C(c2ccccc2N)CC1=O ZINC001245945640 987228061 /nfs/dbraw/zinc/22/80/61/987228061.db2.gz LDGZYCNPTJAHAR-UHFFFAOYSA-N 1 2 246.314 1.400 20 0 BDADLO C[NH+](C)CCn1[nH]c(-c2ccccc2N)cc1=O ZINC001245945640 987228066 /nfs/dbraw/zinc/22/80/66/987228066.db2.gz LDGZYCNPTJAHAR-UHFFFAOYSA-N 1 2 246.314 1.400 20 0 BDADLO Fc1cc(NCc2ccn3cc[nH+]c3c2)ncn1 ZINC001472728130 987275732 /nfs/dbraw/zinc/27/57/32/987275732.db2.gz FTJFRIXXNZYBOR-UHFFFAOYSA-N 1 2 243.245 1.876 20 0 BDADLO Cc1n[nH]cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692667589 987293113 /nfs/dbraw/zinc/29/31/13/987293113.db2.gz KEXVXASILGSVHW-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO C[C@H](C(=O)NCc1cccc(O)c1)n1cc[nH+]c1 ZINC001115900388 987407849 /nfs/dbraw/zinc/40/78/49/987407849.db2.gz ZZOIRAVPHIXSNR-SNVBAGLBSA-N 1 2 245.282 1.466 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC001473387792 987416396 /nfs/dbraw/zinc/41/63/96/987416396.db2.gz MECUKPWOXBLYJD-VWYCJHECSA-N 1 2 249.301 1.239 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC001473387792 987416403 /nfs/dbraw/zinc/41/64/03/987416403.db2.gz MECUKPWOXBLYJD-VWYCJHECSA-N 1 2 249.301 1.239 20 0 BDADLO C[C@@H]([NH2+]CC1=NOCC1)c1c(F)cncc1F ZINC001473453211 987436606 /nfs/dbraw/zinc/43/66/06/987436606.db2.gz CQLOZDJFSIWOKG-SSDOTTSWSA-N 1 2 241.241 1.787 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001473485423 987436984 /nfs/dbraw/zinc/43/69/84/987436984.db2.gz JZSBEUWSEPIYAB-WCABBAIRSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001473485423 987436993 /nfs/dbraw/zinc/43/69/93/987436993.db2.gz JZSBEUWSEPIYAB-WCABBAIRSA-N 1 2 241.360 1.956 20 0 BDADLO CC[C@@H](O)CCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116205054 987475707 /nfs/dbraw/zinc/47/57/07/987475707.db2.gz MMFNTPWNJOOZLP-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)C1(C)C ZINC001116215732 987475765 /nfs/dbraw/zinc/47/57/65/987475765.db2.gz DAWPRXPQWXXCKD-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001116445167 987577624 /nfs/dbraw/zinc/57/76/24/987577624.db2.gz OSWGIPCWXSJADL-GFCCVEGCSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001116445167 987577631 /nfs/dbraw/zinc/57/76/31/987577631.db2.gz OSWGIPCWXSJADL-GFCCVEGCSA-N 1 2 237.303 1.103 20 0 BDADLO CCCn1nc(C)c(C[NH2+]Cc2cc[nH]n2)c1C ZINC001473921317 987620526 /nfs/dbraw/zinc/62/05/26/987620526.db2.gz HFDPHIYSZLFSHA-UHFFFAOYSA-N 1 2 247.346 1.923 20 0 BDADLO CN(C)c1ccc(NCc2cc[nH]c(=O)c2)c[nH+]1 ZINC001474064585 987636484 /nfs/dbraw/zinc/63/64/84/987636484.db2.gz NKHINGRKUMUFSY-UHFFFAOYSA-N 1 2 244.298 1.860 20 0 BDADLO CCC[C@](C)(CO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116639561 987654610 /nfs/dbraw/zinc/65/46/10/987654610.db2.gz NOCWPGJJYHTLKI-CMPLNLGQSA-N 1 2 239.319 1.111 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC001116735126 987686623 /nfs/dbraw/zinc/68/66/23/987686623.db2.gz MKAXQXGQLCDJQY-NXEZZACHSA-N 1 2 247.302 1.435 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC001116735128 987687329 /nfs/dbraw/zinc/68/73/29/987687329.db2.gz MKAXQXGQLCDJQY-VHSXEESVSA-N 1 2 247.302 1.435 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nncn2C)n(C)n1 ZINC001117074142 987778891 /nfs/dbraw/zinc/77/88/91/987778891.db2.gz DHUQDPNDXBYBRS-VHSXEESVSA-N 1 2 248.334 1.269 20 0 BDADLO C[C@H](CNC(=O)NCc1ccc[nH+]c1N)C1CC1 ZINC001477595079 987860772 /nfs/dbraw/zinc/86/07/72/987860772.db2.gz BTNPQKLXWDBSNY-SECBINFHSA-N 1 2 248.330 1.509 20 0 BDADLO CCn1nc(C)c(C[NH2+]C(C)(C)CF)n1 ZINC001117790736 987916740 /nfs/dbraw/zinc/91/67/40/987916740.db2.gz HJOGBQQMEUYLEP-UHFFFAOYSA-N 1 2 214.288 1.444 20 0 BDADLO CCC[N@H+](C)CC(=O)Nc1nnc(C(C)C)[nH]1 ZINC001322562528 988324172 /nfs/dbraw/zinc/32/41/72/988324172.db2.gz LDWXAKLKKRWVDR-UHFFFAOYSA-N 1 2 239.323 1.208 20 0 BDADLO CCC[N@@H+](C)CC(=O)Nc1nnc(C(C)C)[nH]1 ZINC001322562528 988324189 /nfs/dbraw/zinc/32/41/89/988324189.db2.gz LDWXAKLKKRWVDR-UHFFFAOYSA-N 1 2 239.323 1.208 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2CC23CCOCC3)o1 ZINC001322581675 988336149 /nfs/dbraw/zinc/33/61/49/988336149.db2.gz BRZAOMOUHKEBKO-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO C[C@@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001322643032 988349776 /nfs/dbraw/zinc/34/97/76/988349776.db2.gz YMVQKQLWTDBCNO-DCAQKATOSA-N 1 2 237.303 1.080 20 0 BDADLO CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ncc(C)o1 ZINC001497512117 988383978 /nfs/dbraw/zinc/38/39/78/988383978.db2.gz MICBOHZMJJPZMJ-LWTINBJPSA-N 1 2 237.303 1.326 20 0 BDADLO CC(C)=CC(=O)NC/C=C/C[NH2+]Cc1ccon1 ZINC001497520349 988389594 /nfs/dbraw/zinc/38/95/94/988389594.db2.gz DPSMRHCATZMJPQ-ONEGZZNKSA-N 1 2 249.314 1.403 20 0 BDADLO COCC[N@H+](Cc1nnc[nH]1)[C@H]1CC[C@@H](C)C1 ZINC001118496834 988390906 /nfs/dbraw/zinc/39/09/06/988390906.db2.gz JMMAWKHFHLGOOX-MNOVXSKESA-N 1 2 238.335 1.442 20 0 BDADLO COCC[N@@H+](Cc1nnc[nH]1)[C@H]1CC[C@@H](C)C1 ZINC001118496834 988390919 /nfs/dbraw/zinc/39/09/19/988390919.db2.gz JMMAWKHFHLGOOX-MNOVXSKESA-N 1 2 238.335 1.442 20 0 BDADLO Cc1noc(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001322930548 988407902 /nfs/dbraw/zinc/40/79/02/988407902.db2.gz LNMRWMBWKODFAT-UHFFFAOYSA-N 1 2 234.259 1.586 20 0 BDADLO CC(C)COCCc1nnc(C[NH+](C)C)o1 ZINC001322983711 988422520 /nfs/dbraw/zinc/42/25/20/988422520.db2.gz OJVKRGTWYNZMMN-UHFFFAOYSA-N 1 2 227.308 1.346 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnc[nH]2)CC12CCC2 ZINC001118558648 988439514 /nfs/dbraw/zinc/43/95/14/988439514.db2.gz QPOOVHFUSAQOFW-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)CC12CCC2 ZINC001118558648 988439521 /nfs/dbraw/zinc/43/95/21/988439521.db2.gz QPOOVHFUSAQOFW-SNVBAGLBSA-N 1 2 220.320 1.817 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ccnn1C)c1nncn1C ZINC001323546711 988550876 /nfs/dbraw/zinc/55/08/76/988550876.db2.gz VWNFZSZYHDMWMR-LLVKDONJSA-N 1 2 248.334 1.036 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(C(C)C)[nH]1 ZINC001323682950 988577626 /nfs/dbraw/zinc/57/76/26/988577626.db2.gz FADJINIZVIJDGY-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(F)(F)F ZINC001118799489 988604443 /nfs/dbraw/zinc/60/44/43/988604443.db2.gz ZCVNUIBFZWTKTR-RNFRBKRXSA-N 1 2 235.209 1.511 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(CO)cc2)o1 ZINC001323798010 988621098 /nfs/dbraw/zinc/62/10/98/988621098.db2.gz RAYOMUKOGVVPHI-VIFPVBQESA-N 1 2 247.298 1.721 20 0 BDADLO c1nc(C2CC2)oc1C[N@@H+]1CC[C@]12CCOC2 ZINC001118943184 988725461 /nfs/dbraw/zinc/72/54/61/988725461.db2.gz YVZVWRPPGMPFOJ-CYBMUJFWSA-N 1 2 234.299 1.917 20 0 BDADLO c1nc(C2CC2)oc1C[N@H+]1CC[C@]12CCOC2 ZINC001118943184 988725475 /nfs/dbraw/zinc/72/54/75/988725475.db2.gz YVZVWRPPGMPFOJ-CYBMUJFWSA-N 1 2 234.299 1.917 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C1CC1 ZINC001324372484 988820222 /nfs/dbraw/zinc/82/02/22/988820222.db2.gz YOGQXRGEIVWZRB-NSCUHMNNSA-N 1 2 219.288 1.343 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC(C(F)F)C1 ZINC001119102438 988837501 /nfs/dbraw/zinc/83/75/01/988837501.db2.gz ZCSHHVDPIXLOKP-HTQZYQBOSA-N 1 2 241.241 1.237 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC(C(F)F)C1 ZINC001119102438 988837507 /nfs/dbraw/zinc/83/75/07/988837507.db2.gz ZCSHHVDPIXLOKP-HTQZYQBOSA-N 1 2 241.241 1.237 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@H](C)c1noc(C)n1)OC ZINC001119245803 988862190 /nfs/dbraw/zinc/86/21/90/988862190.db2.gz UPTCYUCBZWSFIY-KWQFWETISA-N 1 2 227.308 1.844 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CC[C@@H](O)C(C)C)C1CC1 ZINC001119253200 988865063 /nfs/dbraw/zinc/86/50/63/988865063.db2.gz BXDBZJUAACNOMG-VXGBXAGGSA-N 1 2 243.347 1.325 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CC[C@H](O)C(C)C)C1CC1 ZINC001119253198 988866164 /nfs/dbraw/zinc/86/61/64/988866164.db2.gz BXDBZJUAACNOMG-NWDGAFQWSA-N 1 2 243.347 1.325 20 0 BDADLO CC(=O)c1ccc(-c2noc(C[NH3+])n2)c(F)c1 ZINC001247388241 988870816 /nfs/dbraw/zinc/87/08/16/988870816.db2.gz MZBYFFMYWSNALK-UHFFFAOYSA-N 1 2 235.218 1.537 20 0 BDADLO Cc1cc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)cnc1C ZINC001247617761 988950735 /nfs/dbraw/zinc/95/07/35/988950735.db2.gz YPQRRPSFMIPKFT-SCZZXKLOSA-N 1 2 248.286 1.129 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC001119339618 988971640 /nfs/dbraw/zinc/97/16/40/988971640.db2.gz JDCUZQJMAKYVAS-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)c1cccnc1 ZINC001515334121 989026651 /nfs/dbraw/zinc/02/66/51/989026651.db2.gz AQCFIPJRGVZZAL-UHFFFAOYSA-N 1 2 245.282 1.605 20 0 BDADLO COC(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001325011315 989057072 /nfs/dbraw/zinc/05/70/72/989057072.db2.gz CDPHHIGZGXKNDN-UHFFFAOYSA-N 1 2 220.272 1.227 20 0 BDADLO CCCN(CC(=O)NC)c1ccc(CC)c[nH+]1 ZINC001515510002 989057842 /nfs/dbraw/zinc/05/78/42/989057842.db2.gz CWTNFOFSGCAYDK-UHFFFAOYSA-N 1 2 235.331 1.606 20 0 BDADLO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001325203877 989119780 /nfs/dbraw/zinc/11/97/80/989119780.db2.gz LXNFLDRZPUIYIA-ADEWGFFLSA-N 1 2 243.347 1.587 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2CC3(CC3)CC2=O)C1 ZINC001325214405 989122700 /nfs/dbraw/zinc/12/27/00/989122700.db2.gz IPTVTDCPYSJWMP-GFCCVEGCSA-N 1 2 240.322 1.780 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2CC3(CC3)CC2=O)C1 ZINC001325214405 989122704 /nfs/dbraw/zinc/12/27/04/989122704.db2.gz IPTVTDCPYSJWMP-GFCCVEGCSA-N 1 2 240.322 1.780 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC001325262386 989134766 /nfs/dbraw/zinc/13/47/66/989134766.db2.gz SPCLTSFLPYCLFO-IUCAKERBSA-N 1 2 207.277 1.359 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001325295619 989145734 /nfs/dbraw/zinc/14/57/34/989145734.db2.gz FHMNADOZXCMHME-WYUUTHIRSA-N 1 2 235.331 1.947 20 0 BDADLO COC1C[NH+](Cc2ccc(-n3nccn3)cc2)C1 ZINC001248767966 989147641 /nfs/dbraw/zinc/14/76/41/989147641.db2.gz FDUMVLSRJHABRB-UHFFFAOYSA-N 1 2 244.298 1.098 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1csc(C)c1 ZINC001248804831 989158033 /nfs/dbraw/zinc/15/80/33/989158033.db2.gz WVVIHZYANMHRHO-LBPRGKRZSA-N 1 2 241.356 1.904 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1csc(C)c1 ZINC001248804831 989158041 /nfs/dbraw/zinc/15/80/41/989158041.db2.gz WVVIHZYANMHRHO-LBPRGKRZSA-N 1 2 241.356 1.904 20 0 BDADLO Cn1c(C[N@@H+]2CCCCC23COC3)cccc1=O ZINC001248808105 989165234 /nfs/dbraw/zinc/16/52/34/989165234.db2.gz RJKDWAYNXMSRJW-UHFFFAOYSA-N 1 2 248.326 1.140 20 0 BDADLO Cn1c(C[N@H+]2CCCCC23COC3)cccc1=O ZINC001248808105 989165245 /nfs/dbraw/zinc/16/52/45/989165245.db2.gz RJKDWAYNXMSRJW-UHFFFAOYSA-N 1 2 248.326 1.140 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3n2CCC3)CCO1 ZINC001248821160 989179305 /nfs/dbraw/zinc/17/93/05/989179305.db2.gz QFPYIEBAPQOKSA-NSHDSACASA-N 1 2 220.316 1.655 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3n2CCC3)CCO1 ZINC001248821160 989179311 /nfs/dbraw/zinc/17/93/11/989179311.db2.gz QFPYIEBAPQOKSA-NSHDSACASA-N 1 2 220.316 1.655 20 0 BDADLO COCCC(C)(C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001325407773 989182812 /nfs/dbraw/zinc/18/28/12/989182812.db2.gz XKNMTQJANPSPPH-JTQLQIEISA-N 1 2 239.319 1.375 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc2n1CCC2 ZINC001248823462 989182963 /nfs/dbraw/zinc/18/29/63/989182963.db2.gz XYRYVWMLKFMUHH-UHFFFAOYSA-N 1 2 247.342 1.145 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248823462 989182967 /nfs/dbraw/zinc/18/29/67/989182967.db2.gz XYRYVWMLKFMUHH-UHFFFAOYSA-N 1 2 247.342 1.145 20 0 BDADLO C[C@H](C(=O)Nc1ccc[nH]c1=O)n1cc[nH+]c1 ZINC001325425372 989187372 /nfs/dbraw/zinc/18/73/72/989187372.db2.gz ZNMOKVLJHMOIKR-MRVPVSSYSA-N 1 2 232.243 1.183 20 0 BDADLO O=C(NC/C=C\C1CC1)N1CCn2c[nH+]cc2C1 ZINC001325486045 989193914 /nfs/dbraw/zinc/19/39/14/989193914.db2.gz TWEKTNMOBCTOND-UPHRSURJSA-N 1 2 246.314 1.375 20 0 BDADLO Cc1nonc1C[NH+]1CC(c2ccccc2)C1 ZINC001248859136 989205526 /nfs/dbraw/zinc/20/55/26/989205526.db2.gz BTXZWIZXKOGPQF-UHFFFAOYSA-N 1 2 229.283 1.977 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001248933147 989219582 /nfs/dbraw/zinc/21/95/82/989219582.db2.gz QKFJYBHVDUCIEP-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001248933147 989219589 /nfs/dbraw/zinc/21/95/89/989219589.db2.gz QKFJYBHVDUCIEP-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001249463095 989288925 /nfs/dbraw/zinc/28/89/25/989288925.db2.gz SOQSXECUDGKTOE-MRVPVSSYSA-N 1 2 240.328 1.772 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2CC[C@@H](C)C2)s1 ZINC001249463095 989288933 /nfs/dbraw/zinc/28/89/33/989288933.db2.gz SOQSXECUDGKTOE-MRVPVSSYSA-N 1 2 240.328 1.772 20 0 BDADLO O=C1[C@H]([N@@H+]2Cc3cccnc3C2)CCN1C1CC1 ZINC001325933549 989312314 /nfs/dbraw/zinc/31/23/14/989312314.db2.gz IUIOZOQKDSANMY-CYBMUJFWSA-N 1 2 243.310 1.161 20 0 BDADLO O=C1[C@H]([N@H+]2Cc3cccnc3C2)CCN1C1CC1 ZINC001325933549 989312320 /nfs/dbraw/zinc/31/23/20/989312320.db2.gz IUIOZOQKDSANMY-CYBMUJFWSA-N 1 2 243.310 1.161 20 0 BDADLO Nc1ccnn1-c1cc[nH+]cc1C(F)(F)F ZINC001249584668 989316648 /nfs/dbraw/zinc/31/66/48/989316648.db2.gz WWLUWFLUARGHDJ-UHFFFAOYSA-N 1 2 228.177 1.868 20 0 BDADLO CON1CC[C@@H]([N@H+](C)CCC(F)(F)F)C1=O ZINC001119675700 989325256 /nfs/dbraw/zinc/32/52/56/989325256.db2.gz HMBGAUSOSLTVMP-SSDOTTSWSA-N 1 2 240.225 1.033 20 0 BDADLO CON1CC[C@@H]([N@@H+](C)CCC(F)(F)F)C1=O ZINC001119675700 989325264 /nfs/dbraw/zinc/32/52/64/989325264.db2.gz HMBGAUSOSLTVMP-SSDOTTSWSA-N 1 2 240.225 1.033 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CC[S@](=O)CC1(C)C ZINC001119838845 989434113 /nfs/dbraw/zinc/43/41/13/989434113.db2.gz VFEGIVQHYPREFE-XKGFZTIGSA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C\C[N@H+]1CC[S@](=O)CC1(C)C ZINC001119838845 989434119 /nfs/dbraw/zinc/43/41/19/989434119.db2.gz VFEGIVQHYPREFE-XKGFZTIGSA-N 1 2 245.388 1.422 20 0 BDADLO CC(C)(COC(=O)CC1CC1)n1cc[nH+]c1 ZINC001519583534 989434220 /nfs/dbraw/zinc/43/42/20/989434220.db2.gz ILEOCOUUPXZSHN-UHFFFAOYSA-N 1 2 222.288 1.962 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001519587810 989434418 /nfs/dbraw/zinc/43/44/18/989434418.db2.gz VXEAQAKDNNCONI-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO CNc1cc(N2CC[C@H]3OCCC[C@@H]3C2)nc[nH+]1 ZINC001119947739 989503099 /nfs/dbraw/zinc/50/30/99/989503099.db2.gz WTTOZBNVCCJLRH-GHMZBOCLSA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CC[C@H]3OCCC[C@@H]3C2)[nH+]cn1 ZINC001119947739 989503108 /nfs/dbraw/zinc/50/31/08/989503108.db2.gz WTTOZBNVCCJLRH-GHMZBOCLSA-N 1 2 248.330 1.524 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)C(C)C ZINC001119962599 989512456 /nfs/dbraw/zinc/51/24/56/989512456.db2.gz OBGKJSXFHWTLSF-JTQLQIEISA-N 1 2 231.336 1.323 20 0 BDADLO CN(C(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001520263413 989537757 /nfs/dbraw/zinc/53/77/57/989537757.db2.gz ABBMRSCOAPSWQR-UHFFFAOYSA-N 1 2 223.320 1.610 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@@H]1CCCO1 ZINC001520441466 989560679 /nfs/dbraw/zinc/56/06/79/989560679.db2.gz KVZSPMSXTDTKAQ-NSHDSACASA-N 1 2 238.287 1.515 20 0 BDADLO CCc1cc(N2C[C@@H](O)C3(CC3)C2)nc(CC)[nH+]1 ZINC001120037602 989571054 /nfs/dbraw/zinc/57/10/54/989571054.db2.gz IAYPURRILYZZDD-LLVKDONJSA-N 1 2 247.342 1.563 20 0 BDADLO Cc1cccc2c1CCN(c1cc(N)nc[nH+]1)C2 ZINC001326514276 989593564 /nfs/dbraw/zinc/59/35/64/989593564.db2.gz KUCPCTXTIFZWID-UHFFFAOYSA-N 1 2 240.310 1.930 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)[nH]n1 ZINC001326613972 989629033 /nfs/dbraw/zinc/62/90/33/989629033.db2.gz LOTAQBSZSOLHBG-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)[nH]n1 ZINC001326613972 989629036 /nfs/dbraw/zinc/62/90/36/989629036.db2.gz LOTAQBSZSOLHBG-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccon1 ZINC001326790314 989710741 /nfs/dbraw/zinc/71/07/41/989710741.db2.gz QIEJADFLGWZRSL-SECBINFHSA-N 1 2 248.286 1.235 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccon1 ZINC001326790314 989710758 /nfs/dbraw/zinc/71/07/58/989710758.db2.gz QIEJADFLGWZRSL-SECBINFHSA-N 1 2 248.286 1.235 20 0 BDADLO O[C@H](C[NH2+]CC(F)F)Cc1ccccc1 ZINC001120583822 989757488 /nfs/dbraw/zinc/75/74/88/989757488.db2.gz YSNQPGHNCHHFCP-JTQLQIEISA-N 1 2 215.243 1.445 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001521990958 989821780 /nfs/dbraw/zinc/82/17/80/989821780.db2.gz ANJVIYPASVJZIR-PJXYFTJBSA-N 1 2 247.342 1.515 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)C[C@H]([NH3+])C(F)F ZINC001522102462 989830795 /nfs/dbraw/zinc/83/07/95/989830795.db2.gz ZWNIPKOZPTZYRO-YUMQZZPRSA-N 1 2 234.290 1.473 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@]12C[C@H]1CCC2)C(F)F ZINC001523324527 989899453 /nfs/dbraw/zinc/89/94/53/989899453.db2.gz OPBPGZUFDWNDFE-MATHAZKKSA-N 1 2 218.247 1.028 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)C[C@H](CO)C2)[nH+]1 ZINC001120857897 989927615 /nfs/dbraw/zinc/92/76/15/989927615.db2.gz PCMYAFUIAGVJNJ-ONGXEEELSA-N 1 2 238.306 1.984 20 0 BDADLO COC1(OC)CC(CNc2cccc[nH+]2)C1 ZINC001120899869 989956256 /nfs/dbraw/zinc/95/62/56/989956256.db2.gz KBFINKCDBDRILP-UHFFFAOYSA-N 1 2 222.288 1.893 20 0 BDADLO CCc1ccc(N2C[C@@H](O)CC(F)(F)C2)[nH+]c1 ZINC001120926024 989968697 /nfs/dbraw/zinc/96/86/97/989968697.db2.gz OKMXRCGNKOIORB-JTQLQIEISA-N 1 2 242.269 1.850 20 0 BDADLO COCCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001121140866 990021775 /nfs/dbraw/zinc/02/17/75/990021775.db2.gz USKGHEOUGZECRZ-UHFFFAOYSA-N 1 2 236.315 1.876 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CCOC1 ZINC001121232382 990054366 /nfs/dbraw/zinc/05/43/66/990054366.db2.gz XPXMVKLHMJKMGW-NSHDSACASA-N 1 2 234.299 1.485 20 0 BDADLO CCCNc1cc(N[C@H]2CO[C@@H](C)C2)nc[nH+]1 ZINC000401372154 990089814 /nfs/dbraw/zinc/08/98/14/990089814.db2.gz GIEBUSIELHVTFB-VHSXEESVSA-N 1 2 236.319 1.888 20 0 BDADLO CCCNc1cc(N[C@H]2CO[C@@H](C)C2)[nH+]cn1 ZINC000401372154 990089824 /nfs/dbraw/zinc/08/98/24/990089824.db2.gz GIEBUSIELHVTFB-VHSXEESVSA-N 1 2 236.319 1.888 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC(F)F ZINC001121844395 990097894 /nfs/dbraw/zinc/09/78/94/990097894.db2.gz FFYDCMVIQDGNFR-QMMMGPOBSA-N 1 2 246.261 1.226 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@@H](C)CO1 ZINC001527011297 990201333 /nfs/dbraw/zinc/20/13/33/990201333.db2.gz ARNYOGZOOGCDAU-MWLCHTKSSA-N 1 2 238.287 1.371 20 0 BDADLO CN(Cc1ccoc1)C(=O)CCc1[nH+]ccn1C ZINC001527484303 990227364 /nfs/dbraw/zinc/22/73/64/990227364.db2.gz XOVLZPBAXQGQNB-UHFFFAOYSA-N 1 2 247.298 1.604 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@H]1F ZINC001527706514 990239563 /nfs/dbraw/zinc/23/95/63/990239563.db2.gz IYEQKOINCIFUHW-NXEZZACHSA-N 1 2 225.267 1.138 20 0 BDADLO CCN(C(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001527756656 990242605 /nfs/dbraw/zinc/24/26/05/990242605.db2.gz GUVBBINPRICBOX-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)c1cncs1 ZINC001122294080 990325599 /nfs/dbraw/zinc/32/55/99/990325599.db2.gz PTMRSSIUHKXQDM-WDSKDSINSA-N 1 2 249.286 1.303 20 0 BDADLO CCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001122623242 990425768 /nfs/dbraw/zinc/42/57/68/990425768.db2.gz BDUAHDOOXAVXBB-MRVPVSSYSA-N 1 2 242.348 1.105 20 0 BDADLO CC[C@@H](F)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC001122894742 990459885 /nfs/dbraw/zinc/45/98/85/990459885.db2.gz GFIGZSRHOXYSGM-SNVBAGLBSA-N 1 2 240.278 1.939 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1ccco1 ZINC001537891877 990517924 /nfs/dbraw/zinc/51/79/24/990517924.db2.gz NQVRDFGVJZLSAN-UHFFFAOYSA-N 1 2 230.267 1.895 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CC1(C)C ZINC001123376897 990568475 /nfs/dbraw/zinc/56/84/75/990568475.db2.gz DXHHVSXXDAHKMN-SNVBAGLBSA-N 1 2 222.288 1.992 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCCCCC1 ZINC001123465028 990587941 /nfs/dbraw/zinc/58/79/41/990587941.db2.gz MUKIKBDHQWHOMC-UHFFFAOYSA-N 1 2 235.331 1.755 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1nccs1 ZINC001123521132 990603914 /nfs/dbraw/zinc/60/39/14/990603914.db2.gz KVMATQBEMIMUFY-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccnc1 ZINC001540397870 990616394 /nfs/dbraw/zinc/61/63/94/990616394.db2.gz STGLFFLCCNEASL-SNVBAGLBSA-N 1 2 205.261 1.114 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccnc1 ZINC001540397870 990616401 /nfs/dbraw/zinc/61/64/01/990616401.db2.gz STGLFFLCCNEASL-SNVBAGLBSA-N 1 2 205.261 1.114 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001123574397 990618721 /nfs/dbraw/zinc/61/87/21/990618721.db2.gz XIBQAIPISKLYOV-RYUDHWBXSA-N 1 2 249.358 1.857 20 0 BDADLO CC(C)CN(C(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001123589626 990621780 /nfs/dbraw/zinc/62/17/80/990621780.db2.gz PAPQRPURDGJVEU-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001123878223 990691739 /nfs/dbraw/zinc/69/17/39/990691739.db2.gz NWJBXCBULQVSSZ-UWVGGRQHSA-N 1 2 221.304 1.267 20 0 BDADLO Cc1cccc(N(C)C(=O)Cc2c[nH+]cn2C)n1 ZINC001544413806 990721589 /nfs/dbraw/zinc/72/15/89/990721589.db2.gz IZANZUMFRTUVBN-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)c(C)[nH]1 ZINC001123997654 990728570 /nfs/dbraw/zinc/72/85/70/990728570.db2.gz OBRFHEYANMLQLE-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO O=C(NCCC(F)F)[C@H]1CCc2c[nH+]cn2C1 ZINC001124028686 990737957 /nfs/dbraw/zinc/73/79/57/990737957.db2.gz HYGZKDQOJSALJI-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cncc(C)c1 ZINC001545176567 990745945 /nfs/dbraw/zinc/74/59/45/990745945.db2.gz MWEDUPKGNHKZPC-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC(C)(C)C ZINC001548631303 990773125 /nfs/dbraw/zinc/77/31/25/990773125.db2.gz JMQWFDUCGJFKGX-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001548719033 990786262 /nfs/dbraw/zinc/78/62/62/990786262.db2.gz MHAWKZXPAOOZMI-BXUZGUMPSA-N 1 2 249.358 1.904 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001137529554 990820828 /nfs/dbraw/zinc/82/08/28/990820828.db2.gz LTENDPLYTPCXFR-DLOVCJGASA-N 1 2 236.290 1.880 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001137529554 990820832 /nfs/dbraw/zinc/82/08/32/990820832.db2.gz LTENDPLYTPCXFR-DLOVCJGASA-N 1 2 236.290 1.880 20 0 BDADLO Oc1cc(O)cc(CN2CCn3c[nH+]cc3C2)c1 ZINC001138331116 990919871 /nfs/dbraw/zinc/91/98/71/990919871.db2.gz NEVQZFMMWVDNEO-UHFFFAOYSA-N 1 2 245.282 1.310 20 0 BDADLO COc1ccc(F)cc1C[NH+]1CC2(COC2)C1 ZINC001138373065 990923349 /nfs/dbraw/zinc/92/33/49/990923349.db2.gz CYGPBLFKWBJJQP-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccc2O)CCC1=O ZINC001138394325 990938460 /nfs/dbraw/zinc/93/84/60/990938460.db2.gz ORNGCNXWNMZMLS-UHFFFAOYSA-N 1 2 234.299 1.588 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccc2O)CCC1=O ZINC001138394325 990938470 /nfs/dbraw/zinc/93/84/70/990938470.db2.gz ORNGCNXWNMZMLS-UHFFFAOYSA-N 1 2 234.299 1.588 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cnccc2C)c[nH+]1 ZINC001558497237 990950214 /nfs/dbraw/zinc/95/02/14/990950214.db2.gz GPHUGXSTXIWWFL-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cnccc2C)[nH+]1 ZINC001558497237 990950220 /nfs/dbraw/zinc/95/02/20/990950220.db2.gz GPHUGXSTXIWWFL-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO C=C/C=C/CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001138457256 990950194 /nfs/dbraw/zinc/95/01/94/990950194.db2.gz BUDBRTPLWMEDEO-PGLGOXFNSA-N 1 2 231.299 1.446 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccoc2C)c[nH+]1 ZINC001558497690 990956562 /nfs/dbraw/zinc/95/65/62/990956562.db2.gz ZFCCIUQTZFKVAT-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccoc2C)[nH+]1 ZINC001558497690 990956576 /nfs/dbraw/zinc/95/65/76/990956576.db2.gz ZFCCIUQTZFKVAT-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO COc1ccc2[nH]cc(C[NH+]3CC(O)C3)c2c1 ZINC001138504122 990967382 /nfs/dbraw/zinc/96/73/82/990967382.db2.gz TUBZCMXPQRTLPE-UHFFFAOYSA-N 1 2 232.283 1.353 20 0 BDADLO OC1C[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001138609822 990979477 /nfs/dbraw/zinc/97/94/77/990979477.db2.gz GBUJDOCKUZTMMR-UHFFFAOYSA-N 1 2 232.327 1.463 20 0 BDADLO CCCn1ncc(C[N@@H+]2CCOC[C@H]2C)c1C ZINC001138636543 990990359 /nfs/dbraw/zinc/99/03/59/990990359.db2.gz GRUGHFWVRNGQGQ-LLVKDONJSA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1ncc(C[N@H+]2CCOC[C@H]2C)c1C ZINC001138636543 990990371 /nfs/dbraw/zinc/99/03/71/990990371.db2.gz GRUGHFWVRNGQGQ-LLVKDONJSA-N 1 2 237.347 1.822 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)C2(C)COC2)c1C ZINC001138646780 990995352 /nfs/dbraw/zinc/99/53/52/990995352.db2.gz WESGDPFBEZWEPR-UHFFFAOYSA-N 1 2 237.347 1.741 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)C2(C)COC2)c1C ZINC001138646780 990995362 /nfs/dbraw/zinc/99/53/62/990995362.db2.gz WESGDPFBEZWEPR-UHFFFAOYSA-N 1 2 237.347 1.741 20 0 BDADLO CNc1ncccc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001138690236 991008049 /nfs/dbraw/zinc/00/80/49/991008049.db2.gz VYLSWXJRMKZOLD-LLVKDONJSA-N 1 2 247.342 1.924 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001138690236 991008059 /nfs/dbraw/zinc/00/80/59/991008059.db2.gz VYLSWXJRMKZOLD-LLVKDONJSA-N 1 2 247.342 1.924 20 0 BDADLO c1cc2c(cc1C[N@@H+]1CCC13COC3)CCCO2 ZINC001138716598 991018666 /nfs/dbraw/zinc/01/86/66/991018666.db2.gz PFXGUAWOOAHQIE-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO c1cc2c(cc1C[N@H+]1CCC13COC3)CCCO2 ZINC001138716598 991018676 /nfs/dbraw/zinc/01/86/76/991018676.db2.gz PFXGUAWOOAHQIE-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO Cc1c[nH]c(=O)c(C[NH2+]Cc2ccon2)c1 ZINC001308545090 991024781 /nfs/dbraw/zinc/02/47/81/991024781.db2.gz YYJWEQNUFCSSDS-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO Cc1ncncc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001559042499 991026115 /nfs/dbraw/zinc/02/61/15/991026115.db2.gz ZHUSXMQBNJKGAG-NSHDSACASA-N 1 2 248.330 1.596 20 0 BDADLO Cc1ncncc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001559042499 991026126 /nfs/dbraw/zinc/02/61/26/991026126.db2.gz ZHUSXMQBNJKGAG-NSHDSACASA-N 1 2 248.330 1.596 20 0 BDADLO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nnc(CO)[nH]1 ZINC001308558610 991043836 /nfs/dbraw/zinc/04/38/36/991043836.db2.gz UUMOEPDSTRHABJ-BDAKNGLRSA-N 1 2 238.335 1.211 20 0 BDADLO COCC1C[NH+](Cc2cccnc2F)C1 ZINC001138783747 991048442 /nfs/dbraw/zinc/04/84/42/991048442.db2.gz CZIKAIVVGHPLSP-UHFFFAOYSA-N 1 2 210.252 1.299 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cccc3ccnn32)C1 ZINC001138804530 991061632 /nfs/dbraw/zinc/06/16/32/991061632.db2.gz MUCCZMWEIUZMFJ-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cccc3ccnn32)C1 ZINC001138804530 991061642 /nfs/dbraw/zinc/06/16/42/991061642.db2.gz MUCCZMWEIUZMFJ-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO C[C@@H](Cc1ccco1)[N@@H+]1CCn2ccnc2C1 ZINC001258188546 991100738 /nfs/dbraw/zinc/10/07/38/991100738.db2.gz MBSQEZRXYWKZNV-NSHDSACASA-N 1 2 231.299 1.923 20 0 BDADLO C[C@@H](Cc1ccco1)[N@H+]1CCn2ccnc2C1 ZINC001258188546 991100743 /nfs/dbraw/zinc/10/07/43/991100743.db2.gz MBSQEZRXYWKZNV-NSHDSACASA-N 1 2 231.299 1.923 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001138937026 991106549 /nfs/dbraw/zinc/10/65/49/991106549.db2.gz QBCZLTMBLBSMFS-MNOVXSKESA-N 1 2 221.304 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001138937026 991106552 /nfs/dbraw/zinc/10/65/52/991106552.db2.gz QBCZLTMBLBSMFS-MNOVXSKESA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[C@H]1C ZINC001138944018 991114813 /nfs/dbraw/zinc/11/48/13/991114813.db2.gz RTDKKGJCDNNEBE-KOLCDFICSA-N 1 2 235.331 1.813 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cccn2C(F)F)n1 ZINC001308774089 991128452 /nfs/dbraw/zinc/12/84/52/991128452.db2.gz FFTWHLFXZGLESF-UHFFFAOYSA-N 1 2 241.245 1.302 20 0 BDADLO OCc1cc[nH+]c(NCc2ccc(F)nc2)c1 ZINC001202893823 991135564 /nfs/dbraw/zinc/13/55/64/991135564.db2.gz YVSBFHCTJYCOMK-UHFFFAOYSA-N 1 2 233.246 1.720 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001139094569 991140760 /nfs/dbraw/zinc/14/07/60/991140760.db2.gz LNUMIWVUADFLLJ-NSHDSACASA-N 1 2 239.294 1.530 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001139094569 991140761 /nfs/dbraw/zinc/14/07/61/991140761.db2.gz LNUMIWVUADFLLJ-NSHDSACASA-N 1 2 239.294 1.530 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cncnc1 ZINC001139102499 991149328 /nfs/dbraw/zinc/14/93/28/991149328.db2.gz MXTWCXLOYCVUCO-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cncnc1 ZINC001139102499 991149336 /nfs/dbraw/zinc/14/93/36/991149336.db2.gz MXTWCXLOYCVUCO-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC001139138080 991157213 /nfs/dbraw/zinc/15/72/13/991157213.db2.gz KYCHQXIZFRTQII-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CC[C@H](F)C1 ZINC001139138080 991157230 /nfs/dbraw/zinc/15/72/30/991157230.db2.gz KYCHQXIZFRTQII-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c(ccn2C)c1 ZINC001139191985 991185737 /nfs/dbraw/zinc/18/57/37/991185737.db2.gz HMQMXBGNJQKDOH-UHFFFAOYSA-N 1 2 246.310 1.783 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c(ccn2C)c1 ZINC001139191985 991185753 /nfs/dbraw/zinc/18/57/53/991185753.db2.gz HMQMXBGNJQKDOH-UHFFFAOYSA-N 1 2 246.310 1.783 20 0 BDADLO CCC1(C[N@@H+]2CCC(F)(F)C2)COC1 ZINC001202911104 991217191 /nfs/dbraw/zinc/21/71/91/991217191.db2.gz BVRPOMUUFZWPAZ-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO CCC1(C[N@H+]2CCC(F)(F)C2)COC1 ZINC001202911104 991217202 /nfs/dbraw/zinc/21/72/02/991217202.db2.gz BVRPOMUUFZWPAZ-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO CC(C)n1c[nH+]cc1CNC1(c2ncon2)CC1 ZINC001308954907 991232806 /nfs/dbraw/zinc/23/28/06/991232806.db2.gz MUADMADUYBHSFA-UHFFFAOYSA-N 1 2 247.302 1.626 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cn1 ZINC001139461101 991245234 /nfs/dbraw/zinc/24/52/34/991245234.db2.gz RSQMORUETONIHS-CHWSQXEVSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cn1 ZINC001139461101 991245239 /nfs/dbraw/zinc/24/52/39/991245239.db2.gz RSQMORUETONIHS-CHWSQXEVSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1ccc(C[N@H+](C)Cc2ccno2)cn1 ZINC001139457937 991247953 /nfs/dbraw/zinc/24/79/53/991247953.db2.gz DZJBOKHIJQZMAZ-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1ccc(C[N@@H+](C)Cc2ccno2)cn1 ZINC001139457937 991247957 /nfs/dbraw/zinc/24/79/57/991247957.db2.gz DZJBOKHIJQZMAZ-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(Cl)n2)CC[C@H]1F ZINC001139547970 991264798 /nfs/dbraw/zinc/26/47/98/991264798.db2.gz RJKHEYJOUWNAOH-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@H]1F ZINC001139547970 991264817 /nfs/dbraw/zinc/26/48/17/991264817.db2.gz RJKHEYJOUWNAOH-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(Cl)ccn2)CC[C@@H]1F ZINC001139559732 991265781 /nfs/dbraw/zinc/26/57/81/991265781.db2.gz OFTIAYDWHRJGLN-QWRGUYRKSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(Cl)ccn2)CC[C@@H]1F ZINC001139559732 991265791 /nfs/dbraw/zinc/26/57/91/991265791.db2.gz OFTIAYDWHRJGLN-QWRGUYRKSA-N 1 2 244.697 1.640 20 0 BDADLO COCC1C[NH+](Cc2cc(Cl)ccn2)C1 ZINC001139559468 991266980 /nfs/dbraw/zinc/26/69/80/991266980.db2.gz HCEZUIIRMDBUCC-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccn1 ZINC001139565736 991273153 /nfs/dbraw/zinc/27/31/53/991273153.db2.gz JDZZLRWOQQOPNZ-NSHDSACASA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccn1 ZINC001139565736 991273165 /nfs/dbraw/zinc/27/31/65/991273165.db2.gz JDZZLRWOQQOPNZ-NSHDSACASA-N 1 2 226.707 1.956 20 0 BDADLO CCOc1ccncc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001139632109 991299809 /nfs/dbraw/zinc/29/98/09/991299809.db2.gz KKLZLZBLDOVZAK-AWEZNQCLSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccncc1C[N@H+]1CC[C@@]12CCOC2 ZINC001139632109 991299817 /nfs/dbraw/zinc/29/98/17/991299817.db2.gz KKLZLZBLDOVZAK-AWEZNQCLSA-N 1 2 248.326 1.845 20 0 BDADLO O=C(Nc1cn[nH]n1)Nc1ccn2cc[nH+]c2c1 ZINC001310675227 991312467 /nfs/dbraw/zinc/31/24/67/991312467.db2.gz RCUKTOQRLZVFEE-UHFFFAOYSA-N 1 2 243.230 1.096 20 0 BDADLO COC(=O)CC[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC001258374617 991323812 /nfs/dbraw/zinc/32/38/12/991323812.db2.gz JIAYTYSEAWFGQP-SNVBAGLBSA-N 1 2 237.303 1.040 20 0 BDADLO Cc1cc(O)cc(C)c1C[NH+]1CC2(CCO2)C1 ZINC001139714815 991339862 /nfs/dbraw/zinc/33/98/62/991339862.db2.gz MGLOWCGJRBTKGL-UHFFFAOYSA-N 1 2 233.311 1.984 20 0 BDADLO C[C@H]([C@H](C)O)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078830 991372019 /nfs/dbraw/zinc/37/20/19/991372019.db2.gz FTSZXQZUVQUQHL-NEPJUHHUSA-N 1 2 248.326 1.105 20 0 BDADLO C[C@H]([C@H](C)O)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078830 991372031 /nfs/dbraw/zinc/37/20/31/991372031.db2.gz FTSZXQZUVQUQHL-NEPJUHHUSA-N 1 2 248.326 1.105 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)s1 ZINC001139814583 991381183 /nfs/dbraw/zinc/38/11/83/991381183.db2.gz JOIISYOSNXTZTG-RKDXNWHRSA-N 1 2 246.307 1.056 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)s1 ZINC001139814583 991381191 /nfs/dbraw/zinc/38/11/91/991381191.db2.gz JOIISYOSNXTZTG-RKDXNWHRSA-N 1 2 246.307 1.056 20 0 BDADLO CCn1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001328393031 991388243 /nfs/dbraw/zinc/38/82/43/991388243.db2.gz KTRZSKMUYGNXDO-SECBINFHSA-N 1 2 233.275 1.299 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001328691814 991394688 /nfs/dbraw/zinc/39/46/88/991394688.db2.gz WNAYIUFNADWOPZ-ISUDXETCSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccncn2)nc1 ZINC001139841165 991399091 /nfs/dbraw/zinc/39/90/91/991399091.db2.gz FJASKQRWNSHJCJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccncn2)nc1 ZINC001139841165 991399100 /nfs/dbraw/zinc/39/91/00/991399100.db2.gz FJASKQRWNSHJCJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC3(CC3)C2)nc1 ZINC001139841376 991399745 /nfs/dbraw/zinc/39/97/45/991399745.db2.gz PDQOZPICPQQQEO-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC3(CC3)C2)nc1 ZINC001139841376 991399749 /nfs/dbraw/zinc/39/97/49/991399749.db2.gz PDQOZPICPQQQEO-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO COC1C[NH+](Cc2ccc3cnn(C)c3c2)C1 ZINC001139904325 991412886 /nfs/dbraw/zinc/41/28/86/991412886.db2.gz NMHXNFSFMLFXPJ-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO C[C@H](CC1CC1)[NH+]1CC(O)(C(F)(F)F)C1 ZINC001258466618 991426611 /nfs/dbraw/zinc/42/66/11/991426611.db2.gz YJDKVPMHQMVCTR-SSDOTTSWSA-N 1 2 223.238 1.784 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C(C)C ZINC001560241263 991437403 /nfs/dbraw/zinc/43/74/03/991437403.db2.gz DOYXBRRQFZBQKR-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)c1cc(C[NH2+]Cc2cnnn2C)on1 ZINC001560330729 991458350 /nfs/dbraw/zinc/45/83/50/991458350.db2.gz YEBPNWAJLRVZPT-UHFFFAOYSA-N 1 2 235.291 1.216 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1C)CO2 ZINC001560374777 991464842 /nfs/dbraw/zinc/46/48/42/991464842.db2.gz RMNXDRNMJMNGRL-GFCCVEGCSA-N 1 2 243.310 1.952 20 0 BDADLO C[N@H+](Cc1nccnc1N)C1CC(F)(F)C1 ZINC001140008880 991476985 /nfs/dbraw/zinc/47/69/85/991476985.db2.gz XDVLZYWNXPXHBZ-UHFFFAOYSA-N 1 2 228.246 1.288 20 0 BDADLO C[N@@H+](Cc1nccnc1N)C1CC(F)(F)C1 ZINC001140008880 991476989 /nfs/dbraw/zinc/47/69/89/991476989.db2.gz XDVLZYWNXPXHBZ-UHFFFAOYSA-N 1 2 228.246 1.288 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NCC(F)(F)C(F)F ZINC001140082593 991515796 /nfs/dbraw/zinc/51/57/96/991515796.db2.gz DLTONFUBWDWODJ-LURJTMIESA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NCC(F)(F)C(F)F ZINC001140082593 991515809 /nfs/dbraw/zinc/51/58/09/991515809.db2.gz DLTONFUBWDWODJ-LURJTMIESA-N 1 2 242.216 1.097 20 0 BDADLO CC[C@@H]1C[C@@H](C[NH2+]Cc2ncn[nH]2)CCO1 ZINC001560626337 991533025 /nfs/dbraw/zinc/53/30/25/991533025.db2.gz KMKRYZIIQCGYTI-VHSXEESVSA-N 1 2 224.308 1.100 20 0 BDADLO Fc1cccc(C[NH+]2CC3(CSC3)C2)n1 ZINC001140135805 991537792 /nfs/dbraw/zinc/53/77/92/991537792.db2.gz TWWGCTUTFQFOBV-UHFFFAOYSA-N 1 2 224.304 1.770 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCO3)C2)c(C)cc1O ZINC001140201416 991564624 /nfs/dbraw/zinc/56/46/24/991564624.db2.gz KWOBVWSVHBSWHS-UHFFFAOYSA-N 1 2 233.311 1.984 20 0 BDADLO Nc1[nH+]cccc1CNc1ccc(F)nc1 ZINC001560723185 991571794 /nfs/dbraw/zinc/57/17/94/991571794.db2.gz MIIHDFHJPJATSM-UHFFFAOYSA-N 1 2 218.235 1.810 20 0 BDADLO CC1(C)C[N@H+](Cc2ccncc2O)CCC1=O ZINC001140276370 991586549 /nfs/dbraw/zinc/58/65/49/991586549.db2.gz AXFXJYZHYCDXMW-UHFFFAOYSA-N 1 2 234.299 1.588 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccncc2O)CCC1=O ZINC001140276370 991586559 /nfs/dbraw/zinc/58/65/59/991586559.db2.gz AXFXJYZHYCDXMW-UHFFFAOYSA-N 1 2 234.299 1.588 20 0 BDADLO CCCCOC1C[NH+](Cc2ccncc2O)C1 ZINC001140278892 991595429 /nfs/dbraw/zinc/59/54/29/991595429.db2.gz XDOACWDCYMZUDQ-UHFFFAOYSA-N 1 2 236.315 1.788 20 0 BDADLO CC(=O)NC1C[NH+](CCCCC(F)(F)F)C1 ZINC001317995739 991605465 /nfs/dbraw/zinc/60/54/65/991605465.db2.gz VJMPTHWIWKMYTJ-UHFFFAOYSA-N 1 2 238.253 1.539 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258686271 991617573 /nfs/dbraw/zinc/61/75/73/991617573.db2.gz ASSHILMDIUIPSO-HBNTYKKESA-N 1 2 243.347 1.325 20 0 BDADLO C[C@@H](C(=O)NC1CCSCC1)n1cc[nH+]c1 ZINC001318102482 991623252 /nfs/dbraw/zinc/62/32/52/991623252.db2.gz VNGCDRZALJFJGD-VIFPVBQESA-N 1 2 239.344 1.456 20 0 BDADLO CC/C(C)=C/C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC001318196064 991634603 /nfs/dbraw/zinc/63/46/03/991634603.db2.gz NGDKEXIGXJUXGO-RZZPXTMHSA-N 1 2 240.322 1.597 20 0 BDADLO CC/C(C)=C/C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC001318196064 991634605 /nfs/dbraw/zinc/63/46/05/991634605.db2.gz NGDKEXIGXJUXGO-RZZPXTMHSA-N 1 2 240.322 1.597 20 0 BDADLO OCC1C[NH+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140538684 991662566 /nfs/dbraw/zinc/66/25/66/991662566.db2.gz IEOIONPDSUANBI-UHFFFAOYSA-N 1 2 229.682 1.903 20 0 BDADLO CCn1ccc(C[N@@H+]2CCO[C@H](C)CC2)n1 ZINC001561016217 991687437 /nfs/dbraw/zinc/68/74/37/991687437.db2.gz QSFITFOYGVSLBB-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccc(C[N@H+]2CCO[C@H](C)CC2)n1 ZINC001561016217 991687440 /nfs/dbraw/zinc/68/74/40/991687440.db2.gz QSFITFOYGVSLBB-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCCC[C@@H](CCC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001258753107 991697579 /nfs/dbraw/zinc/69/75/79/991697579.db2.gz RORBASCFBBNTCN-UTUOFQBUSA-N 1 2 245.363 1.857 20 0 BDADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC1 ZINC001565685580 991800242 /nfs/dbraw/zinc/80/02/42/991800242.db2.gz FHKKVADGQODDED-UHFFFAOYSA-N 1 2 243.266 1.424 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC(n3cc[nH+]c3)C2)[nH]1 ZINC001319218187 991818813 /nfs/dbraw/zinc/81/88/13/991818813.db2.gz KRYLABRXMQRBFP-UHFFFAOYSA-N 1 2 244.298 1.525 20 0 BDADLO C[C@H](C(=O)N1CCCOC[C@H]1C)n1cc[nH+]c1 ZINC001319338496 991843549 /nfs/dbraw/zinc/84/35/49/991843549.db2.gz YBMZNKPMFIXBEQ-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO CC[C@H]1C[N@H+](CN2C(=O)CC2(C)C)C[C@@H](C)O1 ZINC001319380925 991851752 /nfs/dbraw/zinc/85/17/52/991851752.db2.gz TZWPUZOPEGMUQW-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@H]1C[N@@H+](CN2C(=O)CC2(C)C)C[C@@H](C)O1 ZINC001319380925 991851759 /nfs/dbraw/zinc/85/17/59/991851759.db2.gz TZWPUZOPEGMUQW-MNOVXSKESA-N 1 2 240.347 1.454 20 0 BDADLO CCCCC[N@H+](CCO)Cc1cc(C)[nH]n1 ZINC001319799170 991984580 /nfs/dbraw/zinc/98/45/80/991984580.db2.gz VLRKUHGRVUKUHQ-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1cc(C)[nH]n1 ZINC001319799170 991984589 /nfs/dbraw/zinc/98/45/89/991984589.db2.gz VLRKUHGRVUKUHQ-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C)n[nH]1 ZINC001319815438 991991611 /nfs/dbraw/zinc/99/16/11/991991611.db2.gz JXVAINUALSIQSH-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C)n[nH]1 ZINC001319815438 991991620 /nfs/dbraw/zinc/99/16/20/991991620.db2.gz JXVAINUALSIQSH-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CS[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CCF ZINC001567359097 992022147 /nfs/dbraw/zinc/02/21/47/992022147.db2.gz FYTXRXPYWYKHGE-NXEZZACHSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001567359097 992022160 /nfs/dbraw/zinc/02/21/60/992022160.db2.gz FYTXRXPYWYKHGE-NXEZZACHSA-N 1 2 248.367 1.288 20 0 BDADLO Cc1ocnc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319977165 992054165 /nfs/dbraw/zinc/05/41/65/992054165.db2.gz NKIOIGAOFMVISW-MRVPVSSYSA-N 1 2 234.259 1.057 20 0 BDADLO O=C(CCCF)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001567674129 992069715 /nfs/dbraw/zinc/06/97/15/992069715.db2.gz VPWIUXONWYDYRG-PHIMTYICSA-N 1 2 246.301 1.381 20 0 BDADLO O=C(CCCF)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001567674129 992069725 /nfs/dbraw/zinc/06/97/25/992069725.db2.gz VPWIUXONWYDYRG-PHIMTYICSA-N 1 2 246.301 1.381 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1CC(C)(C)C1 ZINC001567710545 992074639 /nfs/dbraw/zinc/07/46/39/992074639.db2.gz QKSIVMUMKPJRKL-UHFFFAOYSA-N 1 2 235.331 1.813 20 0 BDADLO CCC(CC)C(=O)NC1C[NH+](CCCF)C1 ZINC001567783566 992093626 /nfs/dbraw/zinc/09/36/26/992093626.db2.gz KSUNMCNSVKNNRZ-UHFFFAOYSA-N 1 2 230.327 1.583 20 0 BDADLO Cc1cc(C[NH+]2CCC(C)(CO)CC2)n[nH]1 ZINC001320342928 992175881 /nfs/dbraw/zinc/17/58/81/992175881.db2.gz LBIONVWZWAUQEI-UHFFFAOYSA-N 1 2 223.320 1.313 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC001261214077 992198990 /nfs/dbraw/zinc/19/89/90/992198990.db2.gz JIICVCRKIDEHHS-NSHDSACASA-N 1 2 237.303 1.082 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC001261214077 992199000 /nfs/dbraw/zinc/19/90/00/992199000.db2.gz JIICVCRKIDEHHS-NSHDSACASA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H](C(=O)N1CCCC2(CC2)C1)n1cc[nH+]c1 ZINC001320656673 992299406 /nfs/dbraw/zinc/29/94/06/992299406.db2.gz XCFAQBGMOKIWOI-LLVKDONJSA-N 1 2 233.315 1.847 20 0 BDADLO CC[C@]1(NC(=O)[C@@H](C)n2cc[nH+]c2)CCOC1 ZINC001320710217 992330876 /nfs/dbraw/zinc/33/08/76/992330876.db2.gz DVAHLRVJGGMKDK-PWSUYJOCSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@@H](C(=O)N1CCC=C(F)C1)n1cc[nH+]c1 ZINC001320886578 992391928 /nfs/dbraw/zinc/39/19/28/992391928.db2.gz MKSMVSGCCWGDGD-VIFPVBQESA-N 1 2 223.251 1.530 20 0 BDADLO C(C[NH+]1CCOCC1)S[C@H]1CCSC1 ZINC001261594766 992415673 /nfs/dbraw/zinc/41/56/73/992415673.db2.gz WAYALPQAOMKKKG-JTQLQIEISA-N 1 2 233.402 1.557 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1nncn1C ZINC001261601154 992421516 /nfs/dbraw/zinc/42/15/16/992421516.db2.gz FJAKTOIEAFLUJK-ZJUUUORDSA-N 1 2 246.318 1.197 20 0 BDADLO C[C@H]1CCC[C@H](C)[N@H+](Cc2nc[nH]n2)C1 ZINC001261638058 992431712 /nfs/dbraw/zinc/43/17/12/992431712.db2.gz OQSXZJXSHWVTIV-UWVGGRQHSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@H]1CCC[C@H](C)[N@@H+](Cc2nc[nH]n2)C1 ZINC001261638058 992431718 /nfs/dbraw/zinc/43/17/18/992431718.db2.gz OQSXZJXSHWVTIV-UWVGGRQHSA-N 1 2 208.309 1.815 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)CC2 ZINC001262014423 992604458 /nfs/dbraw/zinc/60/44/58/992604458.db2.gz HVUCKAZXZQJOEV-FPMFFAJLSA-N 1 2 247.342 1.656 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)CC2 ZINC001262014423 992604463 /nfs/dbraw/zinc/60/44/63/992604463.db2.gz HVUCKAZXZQJOEV-FPMFFAJLSA-N 1 2 247.342 1.656 20 0 BDADLO c1nc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)n[nH]1 ZINC001262017775 992606701 /nfs/dbraw/zinc/60/67/01/992606701.db2.gz LYGQNPBIEDLHBT-AOOOYVTPSA-N 1 2 204.277 1.203 20 0 BDADLO c1nc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)n[nH]1 ZINC001262017775 992606704 /nfs/dbraw/zinc/60/67/04/992606704.db2.gz LYGQNPBIEDLHBT-AOOOYVTPSA-N 1 2 204.277 1.203 20 0 BDADLO CC[C@@H](OC(=O)C[NH2+]C)c1ccc(OC)cc1 ZINC001573709083 992682945 /nfs/dbraw/zinc/68/29/45/992682945.db2.gz AXUQNCMPFRXUHV-GFCCVEGCSA-N 1 2 237.299 1.909 20 0 BDADLO CCc1nc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)co1 ZINC001262154876 992703411 /nfs/dbraw/zinc/70/34/11/992703411.db2.gz VBRYHPGBCRRALI-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1snnc1C ZINC001262189034 992783227 /nfs/dbraw/zinc/78/32/27/992783227.db2.gz LXRFNELSJLAMTJ-UHFFFAOYSA-N 1 2 224.289 1.433 20 0 BDADLO CO[C@H]1C[NH2+][C@@H](C(=O)Oc2ccccc2C)C1 ZINC001574000151 992791648 /nfs/dbraw/zinc/79/16/48/992791648.db2.gz FERATOJUJXEDDG-GHMZBOCLSA-N 1 2 235.283 1.277 20 0 BDADLO C[N@H+](Cc1nncs1)CC1(C)COC1 ZINC001262299912 992836687 /nfs/dbraw/zinc/83/66/87/992836687.db2.gz ZBEAAJGSWQSZNF-UHFFFAOYSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@@H+](Cc1nncs1)CC1(C)COC1 ZINC001262299912 992836693 /nfs/dbraw/zinc/83/66/93/992836693.db2.gz ZBEAAJGSWQSZNF-UHFFFAOYSA-N 1 2 213.306 1.006 20 0 BDADLO C=CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001262556098 992909129 /nfs/dbraw/zinc/90/91/29/992909129.db2.gz XDMNGQAKYDPVAC-UHFFFAOYSA-N 1 2 232.274 1.360 20 0 BDADLO C=CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001262556098 992909139 /nfs/dbraw/zinc/90/91/39/992909139.db2.gz XDMNGQAKYDPVAC-UHFFFAOYSA-N 1 2 232.274 1.360 20 0 BDADLO CCc1ccc(N2CC[C@H]([C@@H](C)O)C2)[nH+]c1 ZINC001262690073 993030114 /nfs/dbraw/zinc/03/01/14/993030114.db2.gz RJXPHURSIGMSPM-PWSUYJOCSA-N 1 2 220.316 1.851 20 0 BDADLO CN(C[Si](C)(C)C)c1[nH+]cnc2c1cnn2C ZINC001262705873 993046202 /nfs/dbraw/zinc/04/62/02/993046202.db2.gz VXNMCGCDXDJVEP-UHFFFAOYSA-N 1 2 249.394 1.677 20 0 BDADLO CNc1cc(N2C[C@@H](C)OCC[C@H]2C)nc[nH+]1 ZINC001262718682 993051892 /nfs/dbraw/zinc/05/18/92/993051892.db2.gz YSIXLTHHBPHLOJ-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2C[C@@H](C)OCC[C@H]2C)[nH+]cn1 ZINC001262718682 993051899 /nfs/dbraw/zinc/05/18/99/993051899.db2.gz YSIXLTHHBPHLOJ-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC001262805036 993069263 /nfs/dbraw/zinc/06/92/63/993069263.db2.gz BZNHKYKHDWUQRN-RLCGTCKNSA-N 1 2 248.326 1.872 20 0 BDADLO CC1(C)CCC[C@@H]([NH2+][C@H](CO)c2c[nH]nn2)C1 ZINC001575945188 993135469 /nfs/dbraw/zinc/13/54/69/993135469.db2.gz HIGXYIIDMQHHPI-MWLCHTKSSA-N 1 2 238.335 1.397 20 0 BDADLO O=C(Nc1c[nH]c2ccccc12)[C@H]1CSC[NH2+]1 ZINC001263242313 993182226 /nfs/dbraw/zinc/18/22/26/993182226.db2.gz IASUVSWXLVHJLQ-LLVKDONJSA-N 1 2 247.323 1.769 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)C(F)F ZINC001263246034 993183371 /nfs/dbraw/zinc/18/33/71/993183371.db2.gz DEGNLVYEUQOYPE-JQCXWYLXSA-N 1 2 232.274 1.274 20 0 BDADLO Cc1c(C[NH2+][C@@H]2CCn3ccnc32)cnn1C ZINC000379031472 993216373 /nfs/dbraw/zinc/21/63/73/993216373.db2.gz WRXQXTAQMZFOEG-LLVKDONJSA-N 1 2 231.303 1.160 20 0 BDADLO CCNC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000585335957 993255027 /nfs/dbraw/zinc/25/50/27/993255027.db2.gz OZEXKARRDWYMKU-GFCCVEGCSA-N 1 2 249.314 1.654 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCC(C)(C)O)no1 ZINC000380338535 993328554 /nfs/dbraw/zinc/32/85/54/993328554.db2.gz QXSTWVSXYWNLLA-ZETCQYMHSA-N 1 2 213.281 1.190 20 0 BDADLO CC[N@H+](Cc1cnn[nH]1)C[C@@]1(C)CCCCO1 ZINC001576543486 993336580 /nfs/dbraw/zinc/33/65/80/993336580.db2.gz HOBKPKUGFWPCHV-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CC[N@@H+](Cc1cnn[nH]1)C[C@@]1(C)CCCCO1 ZINC001576543486 993336586 /nfs/dbraw/zinc/33/65/86/993336586.db2.gz HOBKPKUGFWPCHV-GFCCVEGCSA-N 1 2 238.335 1.586 20 0 BDADLO CC[C@H](C)OC(=O)NCCCn1cc[nH+]c1 ZINC000586473809 993373476 /nfs/dbraw/zinc/37/34/76/993373476.db2.gz DSRXWNVOGPYPIN-JTQLQIEISA-N 1 2 225.292 1.798 20 0 BDADLO C[NH+]1CC(NC(=S)NC2CCCCC2)C1 ZINC000382283997 993447271 /nfs/dbraw/zinc/44/72/71/993447271.db2.gz PGMDEWBVIJRFCI-UHFFFAOYSA-N 1 2 227.377 1.097 20 0 BDADLO C[C@H]1OC(C)(C)N[C@H]1C[NH2+]Cc1cnsc1 ZINC001576910784 993453484 /nfs/dbraw/zinc/45/34/84/993453484.db2.gz WFNYOEKJOXSSMS-SCZZXKLOSA-N 1 2 241.360 1.346 20 0 BDADLO C[C@H]1OC(C)(C)N[C@@H]1C[NH2+]Cc1cnsc1 ZINC001576910783 993453776 /nfs/dbraw/zinc/45/37/76/993453776.db2.gz WFNYOEKJOXSSMS-PSASIEDQSA-N 1 2 241.360 1.346 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001263699660 993468979 /nfs/dbraw/zinc/46/89/79/993468979.db2.gz WKASEVYDICPTLC-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@H]1CC1(C)C ZINC001577153905 993515777 /nfs/dbraw/zinc/51/57/77/993515777.db2.gz UEWKDHWYIXOPPX-VGMNWLOBSA-N 1 2 248.317 1.910 20 0 BDADLO CN(C)c1ccc(NC[C@@H](O)C(F)(F)F)c[nH+]1 ZINC000387335562 993706797 /nfs/dbraw/zinc/70/67/97/993706797.db2.gz PEWZIDBPOPCSKH-MRVPVSSYSA-N 1 2 249.236 1.483 20 0 BDADLO CCCn1c[nH+]cc1CN[C@@H](C)c1ncn(C)n1 ZINC000391935951 993827327 /nfs/dbraw/zinc/82/73/27/993827327.db2.gz PCGXCHGKOHOOPC-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2nnc(C)[nH]2)cn1 ZINC000392426755 993858452 /nfs/dbraw/zinc/85/84/52/993858452.db2.gz WVTRETSVPVFTGY-IUCAKERBSA-N 1 2 248.334 1.741 20 0 BDADLO COc1cnc(-c2c[nH+]c(N)cc2C)cn1 ZINC000702148508 993969746 /nfs/dbraw/zinc/96/97/46/993969746.db2.gz VNQOFWVDLPFVMK-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(C(=O)[O-])co1 ZINC001593207346 994216843 /nfs/dbraw/zinc/21/68/43/994216843.db2.gz CJACAVIGESZEJX-XCBNKYQSSA-N 1 2 238.287 1.366 20 0 BDADLO OCCC[C@@H]([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001333587715 994477890 /nfs/dbraw/zinc/47/78/90/994477890.db2.gz REKUENMCKRTYSS-GFCCVEGCSA-N 1 2 246.314 1.408 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(CO)c1 ZINC001290045607 994516026 /nfs/dbraw/zinc/51/60/26/994516026.db2.gz FXNPLZQZMQOWTH-LBPRGKRZSA-N 1 2 234.299 1.212 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(CO)c1 ZINC001290045607 994516034 /nfs/dbraw/zinc/51/60/34/994516034.db2.gz FXNPLZQZMQOWTH-LBPRGKRZSA-N 1 2 234.299 1.212 20 0 BDADLO O=C(CC1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC001334857284 994649003 /nfs/dbraw/zinc/64/90/03/994649003.db2.gz HCEUIBSCAGKFBV-VIFPVBQESA-N 1 2 205.261 1.244 20 0 BDADLO O=C(CC1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001334857282 994651083 /nfs/dbraw/zinc/65/10/83/994651083.db2.gz HCEUIBSCAGKFBV-SECBINFHSA-N 1 2 205.261 1.244 20 0 BDADLO CCc1cc(N2C[C@H]3C[C@@]3(CO)C2)nc(CC)[nH+]1 ZINC001334986597 994665514 /nfs/dbraw/zinc/66/55/14/994665514.db2.gz XWIXELNXDIUMHY-YGRLFVJLSA-N 1 2 247.342 1.420 20 0 BDADLO CC[C@H](O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001294623548 994705565 /nfs/dbraw/zinc/70/55/65/994705565.db2.gz RMMXDZQMMLXPRS-JTQLQIEISA-N 1 2 247.298 1.225 20 0 BDADLO CC(C(=O)N1CCn2c[nH+]cc2C1)=C1CCC1 ZINC001298841841 994956971 /nfs/dbraw/zinc/95/69/71/994956971.db2.gz RCTYPBAEHTVUIF-UHFFFAOYSA-N 1 2 231.299 1.726 20 0 BDADLO CCSC1(CNC(=O)[C@@H]2CC[N@@H+]2CC)CC1 ZINC001301311889 995080968 /nfs/dbraw/zinc/08/09/68/995080968.db2.gz URPSNIDCGWQHIU-JTQLQIEISA-N 1 2 242.388 1.483 20 0 BDADLO CCSC1(CNC(=O)[C@@H]2CC[N@H+]2CC)CC1 ZINC001301311889 995080976 /nfs/dbraw/zinc/08/09/76/995080976.db2.gz URPSNIDCGWQHIU-JTQLQIEISA-N 1 2 242.388 1.483 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302092488 995110989 /nfs/dbraw/zinc/11/09/89/995110989.db2.gz CEIPYIOEBWADKQ-WCBMZHEXSA-N 1 2 231.299 1.205 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccsn1 ZINC001302924184 995132395 /nfs/dbraw/zinc/13/23/95/995132395.db2.gz JALBSHJNGWSFEZ-ZETCQYMHSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccsn1 ZINC001302924184 995132400 /nfs/dbraw/zinc/13/24/00/995132400.db2.gz JALBSHJNGWSFEZ-ZETCQYMHSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCSC1 ZINC001337445128 995180750 /nfs/dbraw/zinc/18/07/50/995180750.db2.gz VKJCYLBXCATSQO-VIFPVBQESA-N 1 2 239.344 1.511 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCSC1 ZINC001337445128 995180758 /nfs/dbraw/zinc/18/07/58/995180758.db2.gz VKJCYLBXCATSQO-VIFPVBQESA-N 1 2 239.344 1.511 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC001306847745 995264898 /nfs/dbraw/zinc/26/48/98/995264898.db2.gz VOKFKBMVAZDQFD-IUCAKERBSA-N 1 2 233.275 1.045 20 0 BDADLO Fc1cccc2c1CC[N@H+](CC1=NOCC1)C2 ZINC001307589269 995408722 /nfs/dbraw/zinc/40/87/22/995408722.db2.gz UZUIIHLJPPVZIF-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO Fc1cccc2c1CC[N@@H+](CC1=NOCC1)C2 ZINC001307589269 995408723 /nfs/dbraw/zinc/40/87/23/995408723.db2.gz UZUIIHLJPPVZIF-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO CC[C@H](NCCn1cc[nH+]c1)c1noc(C)n1 ZINC001307668957 995428368 /nfs/dbraw/zinc/42/83/68/995428368.db2.gz JKNGTAGEWOKXPF-JTQLQIEISA-N 1 2 235.291 1.315 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001307752478 995451555 /nfs/dbraw/zinc/45/15/55/995451555.db2.gz PKAHPBYTTKNMOX-LBPRGKRZSA-N 1 2 245.363 1.571 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@@H+](CCC2(O)CCC2)C1 ZINC001308072932 995539165 /nfs/dbraw/zinc/53/91/65/995539165.db2.gz CEUOTXLHTOLZFI-NSHDSACASA-N 1 2 249.358 1.709 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@H+](CCC2(O)CCC2)C1 ZINC001308072932 995539174 /nfs/dbraw/zinc/53/91/74/995539174.db2.gz CEUOTXLHTOLZFI-NSHDSACASA-N 1 2 249.358 1.709 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000074450041 136208159 /nfs/dbraw/zinc/20/81/59/136208159.db2.gz MNTWTSIWEBKXHB-MRVPVSSYSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000074450041 136208160 /nfs/dbraw/zinc/20/81/60/136208160.db2.gz MNTWTSIWEBKXHB-MRVPVSSYSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@@H](O)[C@H](C)n1c2ccccc2[nH+]c1CCCO ZINC000268038187 538916368 /nfs/dbraw/zinc/91/63/68/538916368.db2.gz JFNGCJJYKKMGEO-WDEREUQCSA-N 1 2 248.326 1.903 20 0 BDADLO C[C@H](O)[C@H](C)n1c2ccccc2[nH+]c1CCCO ZINC000268038184 538916373 /nfs/dbraw/zinc/91/63/73/538916373.db2.gz JFNGCJJYKKMGEO-QWRGUYRKSA-N 1 2 248.326 1.903 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000408374785 398142263 /nfs/dbraw/zinc/14/22/63/398142263.db2.gz MJZNJKCTXJXVOQ-JTQLQIEISA-N 1 2 238.335 1.132 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000408374785 398142265 /nfs/dbraw/zinc/14/22/65/398142265.db2.gz MJZNJKCTXJXVOQ-JTQLQIEISA-N 1 2 238.335 1.132 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320189 398143334 /nfs/dbraw/zinc/14/33/34/398143334.db2.gz NQSGQSZXEARSOA-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320189 398143336 /nfs/dbraw/zinc/14/33/36/398143336.db2.gz NQSGQSZXEARSOA-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CC(C)OCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560698339 322991544 /nfs/dbraw/zinc/99/15/44/322991544.db2.gz KIGSKQUHUSANNV-SNVBAGLBSA-N 1 2 239.319 1.792 20 0 BDADLO CCC(CC)(C[NH2+]Cc1ccn[nH]1)C(=O)OC ZINC000294960583 168325109 /nfs/dbraw/zinc/32/51/09/168325109.db2.gz MYRGFIOREWDTKT-UHFFFAOYSA-N 1 2 239.319 1.479 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)CCCC ZINC000061757541 343979301 /nfs/dbraw/zinc/97/93/01/343979301.db2.gz CMEJJKNKNLTBJR-UHFFFAOYSA-N 1 2 225.340 1.705 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)CCCC ZINC000061757541 343979303 /nfs/dbraw/zinc/97/93/03/343979303.db2.gz CMEJJKNKNLTBJR-UHFFFAOYSA-N 1 2 225.340 1.705 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@H](C)CCO ZINC000649870779 398158821 /nfs/dbraw/zinc/15/88/21/398158821.db2.gz JIXKEEBALBDENI-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@H](C)CCO ZINC000649870779 398158825 /nfs/dbraw/zinc/15/88/25/398158825.db2.gz JIXKEEBALBDENI-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCO[C@@H]1C(C)C ZINC000572899644 398148359 /nfs/dbraw/zinc/14/83/59/398148359.db2.gz GDCBGWCLONAVTD-QWHCGFSZSA-N 1 2 249.358 1.988 20 0 BDADLO C=Cn1cc(C[NH2+][C@H](C)C(F)F)cn1 ZINC000389939697 398153362 /nfs/dbraw/zinc/15/33/62/398153362.db2.gz MDMNBJXXVHJLLW-SSDOTTSWSA-N 1 2 201.220 1.727 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H](C)CCO)s1 ZINC000649870138 398157048 /nfs/dbraw/zinc/15/70/48/398157048.db2.gz VTVDVXLWUCTEHG-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H](C)CCO)s1 ZINC000649870138 398157049 /nfs/dbraw/zinc/15/70/49/398157049.db2.gz VTVDVXLWUCTEHG-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1cc(C[NH2+]CC(F)(F)CO)ccc1F ZINC000183873789 178020160 /nfs/dbraw/zinc/02/01/60/178020160.db2.gz AFJMSRAXGOOTOB-UHFFFAOYSA-N 1 2 233.233 1.851 20 0 BDADLO Cc1cc(C[NH2+]CC(F)(F)CO)cs1 ZINC000295447120 178021449 /nfs/dbraw/zinc/02/14/49/178021449.db2.gz PVZMJMRKDSUGMX-UHFFFAOYSA-N 1 2 221.272 1.774 20 0 BDADLO Cc1cc(C[NH2+]Cc2cncs2)on1 ZINC000054788409 178025901 /nfs/dbraw/zinc/02/59/01/178025901.db2.gz IENXSGYRCHUOEL-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CC(C)(C)C(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000527510312 398170372 /nfs/dbraw/zinc/17/03/72/398170372.db2.gz SXDJHWMLXAQDQQ-UHFFFAOYSA-N 1 2 242.338 1.679 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)no1 ZINC000044692666 178034169 /nfs/dbraw/zinc/03/41/69/178034169.db2.gz LQCXZVYUWNNNPX-GFCCVEGCSA-N 1 2 246.314 1.884 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)no1 ZINC000649902333 398175968 /nfs/dbraw/zinc/17/59/68/398175968.db2.gz YOUGOVWFTQMRRK-VIFPVBQESA-N 1 2 229.230 1.609 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@]3(CC3(F)F)C2)no1 ZINC000649902333 398175972 /nfs/dbraw/zinc/17/59/72/398175972.db2.gz YOUGOVWFTQMRRK-VIFPVBQESA-N 1 2 229.230 1.609 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CCc1cnn[nH]1 ZINC000647964442 398178309 /nfs/dbraw/zinc/17/83/09/398178309.db2.gz KFAUIXCHBTYALW-BDAKNGLRSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1CCc1cnn[nH]1 ZINC000647964442 398178313 /nfs/dbraw/zinc/17/83/13/398178313.db2.gz KFAUIXCHBTYALW-BDAKNGLRSA-N 1 2 226.349 1.173 20 0 BDADLO Cc1cc(CSCC[NH+]2CCOCC2)on1 ZINC000270491295 178052625 /nfs/dbraw/zinc/05/26/25/178052625.db2.gz CYVPBHAOWDTGOF-UHFFFAOYSA-N 1 2 242.344 1.548 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649907624 398181037 /nfs/dbraw/zinc/18/10/37/398181037.db2.gz WIKQMDIDRUWYRE-SNVBAGLBSA-N 1 2 242.273 1.598 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649907624 398181038 /nfs/dbraw/zinc/18/10/38/398181038.db2.gz WIKQMDIDRUWYRE-SNVBAGLBSA-N 1 2 242.273 1.598 20 0 BDADLO CCCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882905 398164776 /nfs/dbraw/zinc/16/47/76/398164776.db2.gz FULGIJHXRNPHBY-ZDUSSCGKSA-N 1 2 237.347 1.984 20 0 BDADLO CCCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882905 398164778 /nfs/dbraw/zinc/16/47/78/398164778.db2.gz FULGIJHXRNPHBY-ZDUSSCGKSA-N 1 2 237.347 1.984 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C(F)F ZINC000389937917 398187222 /nfs/dbraw/zinc/18/72/22/398187222.db2.gz KXJGABTXFZHCRM-ZETCQYMHSA-N 1 2 228.242 1.529 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000649940588 398191630 /nfs/dbraw/zinc/19/16/30/398191630.db2.gz DXCSCJGXGTUVLM-NSHDSACASA-N 1 2 246.289 1.811 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000649940588 398191634 /nfs/dbraw/zinc/19/16/34/398191634.db2.gz DXCSCJGXGTUVLM-NSHDSACASA-N 1 2 246.289 1.811 20 0 BDADLO CCc1nocc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000647966650 398192694 /nfs/dbraw/zinc/19/26/94/398192694.db2.gz BZQTZSXRDBDPTE-UHFFFAOYSA-N 1 2 239.319 1.323 20 0 BDADLO CCc1nocc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000647966650 398192697 /nfs/dbraw/zinc/19/26/97/398192697.db2.gz BZQTZSXRDBDPTE-UHFFFAOYSA-N 1 2 239.319 1.323 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCNC2=O)nc(C2CC2)[nH+]1 ZINC000328801463 178100043 /nfs/dbraw/zinc/10/00/43/178100043.db2.gz JEBQLXPORFOXBZ-SNVBAGLBSA-N 1 2 246.314 1.827 20 0 BDADLO c1cn2c(n1)C[N@H+](Cc1ccncc1)CC2 ZINC000334260291 398194824 /nfs/dbraw/zinc/19/48/24/398194824.db2.gz WAXQLAAEKJNIFR-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO c1cn2c(n1)C[N@@H+](Cc1ccncc1)CC2 ZINC000334260291 398194827 /nfs/dbraw/zinc/19/48/27/398194827.db2.gz WAXQLAAEKJNIFR-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO CC[C@H](C[N@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000576238152 365534236 /nfs/dbraw/zinc/53/42/36/365534236.db2.gz WLNNDJKHNUTBFP-PSASIEDQSA-N 1 2 227.308 1.796 20 0 BDADLO CC[C@H](C[N@@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000576238152 365534237 /nfs/dbraw/zinc/53/42/37/365534237.db2.gz WLNNDJKHNUTBFP-PSASIEDQSA-N 1 2 227.308 1.796 20 0 BDADLO Cc1cc(N)nc(SC[C@H](O)C(C)C)[nH+]1 ZINC000298241342 178108766 /nfs/dbraw/zinc/10/87/66/178108766.db2.gz JBVBPSPXBYLDQA-QMMMGPOBSA-N 1 2 227.333 1.476 20 0 BDADLO Cc1cc(N)nc(SCCc2cn[nH]c2)[nH+]1 ZINC000287639451 178109538 /nfs/dbraw/zinc/10/95/38/178109538.db2.gz VXQGGAVNZNBVJW-UHFFFAOYSA-N 1 2 235.316 1.425 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2CCOCO2)[nH+]1 ZINC000096470768 178109603 /nfs/dbraw/zinc/10/96/03/178109603.db2.gz LAPVYGABLJIKIN-MRVPVSSYSA-N 1 2 241.316 1.222 20 0 BDADLO c1nnsc1C[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000649394778 398199046 /nfs/dbraw/zinc/19/90/46/398199046.db2.gz VRVDSGHQAZUDGD-DTWKUNHWSA-N 1 2 207.302 1.831 20 0 BDADLO c1nnsc1C[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000649394778 398199050 /nfs/dbraw/zinc/19/90/50/398199050.db2.gz VRVDSGHQAZUDGD-DTWKUNHWSA-N 1 2 207.302 1.831 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000271114651 538923387 /nfs/dbraw/zinc/92/33/87/538923387.db2.gz GPISWPINJLMDES-VXGBXAGGSA-N 1 2 219.288 1.230 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000271114651 538923389 /nfs/dbraw/zinc/92/33/89/538923389.db2.gz GPISWPINJLMDES-VXGBXAGGSA-N 1 2 219.288 1.230 20 0 BDADLO Cc1cc(N2CC3(C2)CCOC3)nc[nH+]1 ZINC000338837331 178112326 /nfs/dbraw/zinc/11/23/26/178112326.db2.gz HYTAVYMAIBPTER-UHFFFAOYSA-N 1 2 205.261 1.012 20 0 BDADLO Cc1cc(N2CCC[C@H]2C(=O)NC2CC2)nc[nH+]1 ZINC000301230284 178116122 /nfs/dbraw/zinc/11/61/22/178116122.db2.gz AIEJSEYYXZSJJG-NSHDSACASA-N 1 2 246.314 1.032 20 0 BDADLO Cc1cc(N2CC[C@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000051886281 178119731 /nfs/dbraw/zinc/11/97/31/178119731.db2.gz JOQNDNGAPMTTSC-NSHDSACASA-N 1 2 235.331 1.727 20 0 BDADLO CCc1cc(N(C)CC(C)(C)CO)nc[nH+]1 ZINC000649404988 398203564 /nfs/dbraw/zinc/20/35/64/398203564.db2.gz ZLVRDUMCSOBAGI-UHFFFAOYSA-N 1 2 223.320 1.494 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185133462 136219946 /nfs/dbraw/zinc/21/99/46/136219946.db2.gz QMZDKKOGUJLZRT-GXTWCOJYSA-N 1 2 217.696 1.230 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185133462 136219947 /nfs/dbraw/zinc/21/99/47/136219947.db2.gz QMZDKKOGUJLZRT-GXTWCOJYSA-N 1 2 217.696 1.230 20 0 BDADLO C[C@H]1OCC[C@@]1(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576290717 365555050 /nfs/dbraw/zinc/55/50/50/365555050.db2.gz NWGSIXRVEOZGCB-ZWNOBZJWSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCCOC2)cc[nH+]1 ZINC000179827392 178140221 /nfs/dbraw/zinc/14/02/21/178140221.db2.gz UBJBTODHFJOVNG-LLVKDONJSA-N 1 2 235.287 1.691 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)CO)cc[nH+]1 ZINC000271061973 178140497 /nfs/dbraw/zinc/14/04/97/178140497.db2.gz KVTHEMJHXHAKSW-WPRPVWTQSA-N 1 2 237.303 1.528 20 0 BDADLO CCc1cc(NCC(F)(F)CC)nc[nH+]1 ZINC000624560037 398214637 /nfs/dbraw/zinc/21/46/37/398214637.db2.gz KKYGRPBWURPXMQ-UHFFFAOYSA-N 1 2 215.247 1.918 20 0 BDADLO Cc1cc(NC(=O)c2cccc(=O)[nH]2)cc[nH+]1 ZINC000235897663 178150086 /nfs/dbraw/zinc/15/00/86/178150086.db2.gz RTQNPAUTUVASTN-UHFFFAOYSA-N 1 2 229.239 1.331 20 0 BDADLO C[C@@H](CF)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000650035562 398224647 /nfs/dbraw/zinc/22/46/47/398224647.db2.gz UXBBHONGKPYFJC-IUCAKERBSA-N 1 2 213.256 1.308 20 0 BDADLO C[C@H](CF)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000650035560 398224730 /nfs/dbraw/zinc/22/47/30/398224730.db2.gz UXBBHONGKPYFJC-BDAKNGLRSA-N 1 2 213.256 1.308 20 0 BDADLO Cc1cc(NCc2cccc(N(C)C)n2)nc[nH+]1 ZINC000301880059 178173500 /nfs/dbraw/zinc/17/35/00/178173500.db2.gz ZORYRFPBLOOWJV-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1nc(CNc2cc(C)[nH+]c(C3CC3)n2)no1 ZINC000266395220 178176697 /nfs/dbraw/zinc/17/66/97/178176697.db2.gz OOOGXXVDONTFIK-UHFFFAOYSA-N 1 2 245.286 1.966 20 0 BDADLO Cc1cc(N[C@@H](C)Cn2cccn2)nc[nH+]1 ZINC000042541556 178178315 /nfs/dbraw/zinc/17/83/15/178178315.db2.gz DLIBYFFJDKRRMO-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO Cc1cc(N[C@@H](C)CO[C@H]2CCOC2)nc[nH+]1 ZINC000133812684 178178970 /nfs/dbraw/zinc/17/89/70/178178970.db2.gz OOWZXDDLRCNOJN-QWRGUYRKSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C2CCC2)o1 ZINC000628322279 398223314 /nfs/dbraw/zinc/22/33/14/398223314.db2.gz MGZJLWFXFOGWNI-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C2CCC2)o1 ZINC000628322279 398223319 /nfs/dbraw/zinc/22/33/19/398223319.db2.gz MGZJLWFXFOGWNI-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276480486 538932634 /nfs/dbraw/zinc/93/26/34/538932634.db2.gz RUVGISWGXHRSDF-BDAKNGLRSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276480486 538932635 /nfs/dbraw/zinc/93/26/35/538932635.db2.gz RUVGISWGXHRSDF-BDAKNGLRSA-N 1 2 207.277 1.115 20 0 BDADLO CC(=O)c1sc(Cn2cc[nH+]c2)nc1C ZINC000306641087 361750355 /nfs/dbraw/zinc/75/03/55/361750355.db2.gz QACKWIZCAIMNRK-UHFFFAOYSA-N 1 2 221.285 1.899 20 0 BDADLO CC(C)N(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000276644300 538932787 /nfs/dbraw/zinc/93/27/87/538932787.db2.gz VOFOEQRUDNQMFC-UHFFFAOYSA-N 1 2 221.304 1.742 20 0 BDADLO CC(C)N(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000276644300 538932789 /nfs/dbraw/zinc/93/27/89/538932789.db2.gz VOFOEQRUDNQMFC-UHFFFAOYSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@]1(F)CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000334232942 136224364 /nfs/dbraw/zinc/22/43/64/136224364.db2.gz XDVLSEDLNKXZED-ZDUSSCGKSA-N 1 2 242.338 1.869 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000334232942 136224365 /nfs/dbraw/zinc/22/43/65/136224365.db2.gz XDVLSEDLNKXZED-ZDUSSCGKSA-N 1 2 242.338 1.869 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1CC=CC1 ZINC000334234047 136224479 /nfs/dbraw/zinc/22/44/79/136224479.db2.gz PFZIVHPRIDGQMB-UHFFFAOYSA-N 1 2 204.229 1.114 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCCCC3)[C@@H]1C ZINC000334233912 136224566 /nfs/dbraw/zinc/22/45/66/136224566.db2.gz YPORDLSTRBBYOZ-GHMZBOCLSA-N 1 2 234.347 1.845 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCCCC3)[C@@H]1C ZINC000334233912 136224567 /nfs/dbraw/zinc/22/45/67/136224567.db2.gz YPORDLSTRBBYOZ-GHMZBOCLSA-N 1 2 234.347 1.845 20 0 BDADLO Cc1ccc2[nH+]c(CN3CC(F)C3)cn2c1 ZINC000334234033 136224604 /nfs/dbraw/zinc/22/46/04/136224604.db2.gz PFVCQICBCLRDGJ-UHFFFAOYSA-N 1 2 219.263 1.796 20 0 BDADLO CCn1cncc1C[N@@H+]1CCC[C@H](F)C1 ZINC000517749855 259305220 /nfs/dbraw/zinc/30/52/20/259305220.db2.gz HMNICHNHJBIQML-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cncc1C[N@H+]1CCC[C@H](F)C1 ZINC000517749855 259305221 /nfs/dbraw/zinc/30/52/21/259305221.db2.gz HMNICHNHJBIQML-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@H](F)C1 ZINC000517749855 259305223 /nfs/dbraw/zinc/30/52/23/259305223.db2.gz HMNICHNHJBIQML-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2ncc[nH]2)ccn1 ZINC000278952295 538935188 /nfs/dbraw/zinc/93/51/88/538935188.db2.gz NDENRVXIYLTPJG-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO CCC(CC)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279323338 538935625 /nfs/dbraw/zinc/93/56/25/538935625.db2.gz BYVHUWWZFJCYMH-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ncc[nH]1 ZINC000279146491 538935631 /nfs/dbraw/zinc/93/56/31/538935631.db2.gz ZRPDBIKPTILFDA-ZYHUDNBSSA-N 1 2 231.299 1.794 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000279716496 538936133 /nfs/dbraw/zinc/93/61/33/538936133.db2.gz BACLETVLQDMYPX-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000279716496 538936135 /nfs/dbraw/zinc/93/61/35/538936135.db2.gz BACLETVLQDMYPX-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO C[NH+](C)Cc1nc(Cc2cccs2)no1 ZINC000432514775 398237993 /nfs/dbraw/zinc/23/79/93/398237993.db2.gz NOOJDVWKSXMSLZ-UHFFFAOYSA-N 1 2 223.301 1.784 20 0 BDADLO CCCN(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000280986950 538938807 /nfs/dbraw/zinc/93/88/07/538938807.db2.gz UTUVAXQHEYEOLO-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO CCCN(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000280986950 538938809 /nfs/dbraw/zinc/93/88/09/538938809.db2.gz UTUVAXQHEYEOLO-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ncc[nH]1 ZINC000285490141 538941232 /nfs/dbraw/zinc/94/12/32/538941232.db2.gz AGKJKSLDRSWNPU-WCBMZHEXSA-N 1 2 231.303 1.861 20 0 BDADLO CC(=O)CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000016513145 259307271 /nfs/dbraw/zinc/30/72/71/259307271.db2.gz IQPVQVRHOSFYLB-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CC(=O)CC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000016513145 259307273 /nfs/dbraw/zinc/30/72/73/259307273.db2.gz IQPVQVRHOSFYLB-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CO[C@@H](CNc1cc(CO)cc[nH+]1)C(C)C ZINC000381239044 398240516 /nfs/dbraw/zinc/24/05/16/398240516.db2.gz UYFSRTCXPGQEBE-NSHDSACASA-N 1 2 224.304 1.657 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ncc[nH]1 ZINC000285926181 538942841 /nfs/dbraw/zinc/94/28/41/538942841.db2.gz CQBITMHHOJEMMK-SNVBAGLBSA-N 1 2 245.330 1.722 20 0 BDADLO COc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000286255386 538943633 /nfs/dbraw/zinc/94/36/33/538943633.db2.gz UUSKVKVXAAPWJE-MRVPVSSYSA-N 1 2 218.260 1.986 20 0 BDADLO CCc1cc(N[C@@H](C)c2n[nH]c(C)n2)nc(C)[nH+]1 ZINC000286231122 538943915 /nfs/dbraw/zinc/94/39/15/538943915.db2.gz CJWFKJKOFGFDEH-ZETCQYMHSA-N 1 2 246.318 1.947 20 0 BDADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ncc[nH]1 ZINC000286263017 538944008 /nfs/dbraw/zinc/94/40/08/538944008.db2.gz VDQCEEXSEUAJBW-ZJUUUORDSA-N 1 2 235.287 1.777 20 0 BDADLO C[C@@H](N[C@@H](CCO)c1ccco1)c1[nH]cc[nH+]1 ZINC000286263017 538944009 /nfs/dbraw/zinc/94/40/09/538944009.db2.gz VDQCEEXSEUAJBW-ZJUUUORDSA-N 1 2 235.287 1.777 20 0 BDADLO CSCSc1nc(N)cc(C)[nH+]1 ZINC000292651497 398256306 /nfs/dbraw/zinc/25/63/06/398256306.db2.gz MNERYBWJIWMXOK-UHFFFAOYSA-N 1 2 201.320 1.780 20 0 BDADLO CNC(=O)CSCCc1cccc(C)[nH+]1 ZINC000576701968 365663399 /nfs/dbraw/zinc/66/33/99/365663399.db2.gz QNBFYFZCEBHZIZ-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2CC)C[C@H](C)O1 ZINC000417758458 398259106 /nfs/dbraw/zinc/25/91/06/398259106.db2.gz OQOAOYCIAOFSKO-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2CC)C[C@H](C)O1 ZINC000417758458 398259110 /nfs/dbraw/zinc/25/91/10/398259110.db2.gz OQOAOYCIAOFSKO-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1nc(NC(=O)NCc2c[nH+]cn2C)oc1C ZINC000290370148 538946998 /nfs/dbraw/zinc/94/69/98/538946998.db2.gz KHBWUKLMWDJOQM-UHFFFAOYSA-N 1 2 249.274 1.347 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291142126 538947410 /nfs/dbraw/zinc/94/74/10/538947410.db2.gz GDPOPCLTWGOLSH-JTQLQIEISA-N 1 2 239.319 1.242 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@H]1C=CCC1 ZINC000291212263 538947469 /nfs/dbraw/zinc/94/74/69/538947469.db2.gz MFJNHPLNEPNJDC-JTQLQIEISA-N 1 2 219.288 1.393 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000291154601 538947538 /nfs/dbraw/zinc/94/75/38/538947538.db2.gz HDFZUIDJGYWGFB-NSHDSACASA-N 1 2 243.310 1.840 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC1CCC1 ZINC000291541311 538947953 /nfs/dbraw/zinc/94/79/53/538947953.db2.gz XPKXJWIXGDOGDP-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1ccco1 ZINC000291560240 538948110 /nfs/dbraw/zinc/94/81/10/538948110.db2.gz ZUFHFTYWCMHMIC-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000291484269 538948178 /nfs/dbraw/zinc/94/81/78/538948178.db2.gz QLVXZCKXJWMOMD-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO CCc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000162023178 349550834 /nfs/dbraw/zinc/55/08/34/349550834.db2.gz XVBCMGBPILRPOZ-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO CCc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000162023178 349550839 /nfs/dbraw/zinc/55/08/39/349550839.db2.gz XVBCMGBPILRPOZ-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO CCC[C@@H](C[N@H+](CC(=O)OCC)C1CC1)OC ZINC000602449505 349550929 /nfs/dbraw/zinc/55/09/29/349550929.db2.gz RXLXQWAFMOZLGG-LBPRGKRZSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H](C[N@@H+](CC(=O)OCC)C1CC1)OC ZINC000602449505 349550935 /nfs/dbraw/zinc/55/09/35/349550935.db2.gz RXLXQWAFMOZLGG-LBPRGKRZSA-N 1 2 243.347 1.829 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000179663546 538955774 /nfs/dbraw/zinc/95/57/74/538955774.db2.gz JHRLJNZAUVNRSW-LBPRGKRZSA-N 1 2 237.347 1.593 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](CC)C1 ZINC000179663546 538955776 /nfs/dbraw/zinc/95/57/76/538955776.db2.gz JHRLJNZAUVNRSW-LBPRGKRZSA-N 1 2 237.347 1.593 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2cncs2)CCO1 ZINC000626177485 346835099 /nfs/dbraw/zinc/83/50/99/346835099.db2.gz OYLRNBSHJPVIRT-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2cncs2)CCO1 ZINC000626177485 346835100 /nfs/dbraw/zinc/83/51/00/346835100.db2.gz OYLRNBSHJPVIRT-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO CCOC(=O)c1cc(CNc2cccc[nH+]2)on1 ZINC000602521001 349574786 /nfs/dbraw/zinc/57/47/86/349574786.db2.gz MBBVUKBZFKJUNJ-UHFFFAOYSA-N 1 2 247.254 1.858 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCC(=O)NC(C)C ZINC000180074792 538957493 /nfs/dbraw/zinc/95/74/93/538957493.db2.gz GTALLZDQRUDISE-SECBINFHSA-N 1 2 238.335 1.283 20 0 BDADLO O=C1NCC[C@H]1CC[N@H+]1CCCC(F)(F)C1 ZINC000653778169 488178471 /nfs/dbraw/zinc/17/84/71/488178471.db2.gz IGSGWESZKAQEGT-VIFPVBQESA-N 1 2 232.274 1.244 20 0 BDADLO O=C1NCC[C@H]1CC[N@@H+]1CCCC(F)(F)C1 ZINC000653778169 488178475 /nfs/dbraw/zinc/17/84/75/488178475.db2.gz IGSGWESZKAQEGT-VIFPVBQESA-N 1 2 232.274 1.244 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOCC(F)F ZINC000188910819 346850664 /nfs/dbraw/zinc/85/06/64/346850664.db2.gz NTYNABZMXILOQH-UHFFFAOYSA-N 1 2 239.262 1.153 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOCC(F)F ZINC000188910819 346850667 /nfs/dbraw/zinc/85/06/67/346850667.db2.gz NTYNABZMXILOQH-UHFFFAOYSA-N 1 2 239.262 1.153 20 0 BDADLO Cc1c[nH]c(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)[nH+]1 ZINC000600117434 342674059 /nfs/dbraw/zinc/67/40/59/342674059.db2.gz SXHUXYPRVNZEKO-PUTJDCORSA-N 1 2 241.360 1.059 20 0 BDADLO COC(=O)CN(Cc1[nH]c(C)c(C)[nH+]1)C(C)C ZINC000600110816 342669979 /nfs/dbraw/zinc/66/99/79/342669979.db2.gz FWZOFMITBADLRT-UHFFFAOYSA-N 1 2 239.319 1.410 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000600112053 342670627 /nfs/dbraw/zinc/67/06/27/342670627.db2.gz NKDPOQFTPDBAAO-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC000600112053 342670628 /nfs/dbraw/zinc/67/06/28/342670628.db2.gz NKDPOQFTPDBAAO-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO Cc1[nH]c(CN(C)[C@H](C)C[S@@](C)=O)[nH+]c1C ZINC000600145943 342690092 /nfs/dbraw/zinc/69/00/92/342690092.db2.gz SHPKHGODTZRBTQ-VPTHRUTESA-N 1 2 243.376 1.225 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(C)C)no1 ZINC000044590183 342690748 /nfs/dbraw/zinc/69/07/48/342690748.db2.gz BGXVMNUUDRTMDE-LLVKDONJSA-N 1 2 237.303 1.208 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)no1 ZINC000044590183 342690749 /nfs/dbraw/zinc/69/07/49/342690749.db2.gz BGXVMNUUDRTMDE-LLVKDONJSA-N 1 2 237.303 1.208 20 0 BDADLO c1[nH]nnc1C[NH2+]CCSCc1ccccc1 ZINC000600178029 342696836 /nfs/dbraw/zinc/69/68/36/342696836.db2.gz YIKVMVLQTBMHOL-UHFFFAOYSA-N 1 2 248.355 1.828 20 0 BDADLO c1n[nH]nc1C[NH2+]CCSCc1ccccc1 ZINC000600178029 342696837 /nfs/dbraw/zinc/69/68/37/342696837.db2.gz YIKVMVLQTBMHOL-UHFFFAOYSA-N 1 2 248.355 1.828 20 0 BDADLO COCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC000036900921 538961561 /nfs/dbraw/zinc/96/15/61/538961561.db2.gz BVMVFVWOIQDDIP-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO FC(F)(F)c1ccc(-n2cc[nH+]c2)nn1 ZINC000167167262 361862121 /nfs/dbraw/zinc/86/21/21/361862121.db2.gz IVDXIVRUQPJDSZ-UHFFFAOYSA-N 1 2 214.150 1.681 20 0 BDADLO CN(c1cc(NC2CC2)[nH+]cn1)C1CCOCC1 ZINC000518125339 398279241 /nfs/dbraw/zinc/27/92/41/398279241.db2.gz OCHNPDRDHNEGSW-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO CN(c1cc(NC2CC2)nc[nH+]1)C1CCOCC1 ZINC000518125339 398279242 /nfs/dbraw/zinc/27/92/42/398279242.db2.gz OCHNPDRDHNEGSW-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO Cc1cc(CNC(=O)c2ncc[nH]2)cc(C)[nH+]1 ZINC000616362886 342721310 /nfs/dbraw/zinc/72/13/10/342721310.db2.gz CHMJEVGBXMNHTF-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)ncn1 ZINC000583933043 342727988 /nfs/dbraw/zinc/72/79/88/342727988.db2.gz WJDGOZGRSASEEK-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)ncn1 ZINC000583933043 342727989 /nfs/dbraw/zinc/72/79/89/342727989.db2.gz WJDGOZGRSASEEK-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO CCOC(C)(C)C[NH2+][C@@H](CC)C(=O)OC ZINC000166969678 361859449 /nfs/dbraw/zinc/85/94/49/361859449.db2.gz IYXWHTHICSHQLG-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO C[C@@H](CC(=O)NCC1(C)CC1)n1cc[nH+]c1 ZINC000518192758 398284339 /nfs/dbraw/zinc/28/43/39/398284339.db2.gz QAFKDJKVIZMZFL-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO CCc1cc(N[C@@H](C)Cn2cccn2)nc[nH+]1 ZINC000042541563 342777167 /nfs/dbraw/zinc/77/71/67/342777167.db2.gz BPKBRLLULIZHJC-JTQLQIEISA-N 1 2 231.303 1.736 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000348743869 136237513 /nfs/dbraw/zinc/23/75/13/136237513.db2.gz QJCXAYHJCGWIOM-DTORHVGOSA-N 1 2 246.314 1.880 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCCC2)C[C@@H]1CCCO1 ZINC000649490087 398287088 /nfs/dbraw/zinc/28/70/88/398287088.db2.gz SITOUKRKOJZIPF-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCCC2)C[C@@H]1CCCO1 ZINC000649490087 398287089 /nfs/dbraw/zinc/28/70/89/398287089.db2.gz SITOUKRKOJZIPF-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO C[N@H+](CCO)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064557042 342781489 /nfs/dbraw/zinc/78/14/89/342781489.db2.gz DWWKZWFOGPQSJL-UHFFFAOYSA-N 1 2 249.289 1.436 20 0 BDADLO C[N@@H+](CCO)Cc1ccn(-c2cccc(F)c2)n1 ZINC000064557042 342781490 /nfs/dbraw/zinc/78/14/90/342781490.db2.gz DWWKZWFOGPQSJL-UHFFFAOYSA-N 1 2 249.289 1.436 20 0 BDADLO CC(C)C(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000583969041 342782111 /nfs/dbraw/zinc/78/21/11/342782111.db2.gz WODMGMDFSBMVBK-UHFFFAOYSA-N 1 2 209.293 1.434 20 0 BDADLO O=C1C[N@H+](C/C=C/c2ccccc2)CCN1 ZINC000007843847 342794073 /nfs/dbraw/zinc/79/40/73/342794073.db2.gz UYUGWJFZSOEPJT-QPJJXVBHSA-N 1 2 216.284 1.132 20 0 BDADLO O=C1C[N@@H+](C/C=C/c2ccccc2)CCN1 ZINC000007843847 342794074 /nfs/dbraw/zinc/79/40/74/342794074.db2.gz UYUGWJFZSOEPJT-QPJJXVBHSA-N 1 2 216.284 1.132 20 0 BDADLO O=c1c2c([nH]n1-c1ccc(Cl)cc1)CC[NH2+]C2 ZINC000634582206 342797865 /nfs/dbraw/zinc/79/78/65/342797865.db2.gz NFMFXKDOIXWVNR-SNVBAGLBSA-N 1 2 249.701 1.652 20 0 BDADLO C/C=C/CNc1cc(NCC2CC2)[nH+]cn1 ZINC000624655272 342809603 /nfs/dbraw/zinc/80/96/03/342809603.db2.gz PAFWTSYCJACJFG-NSCUHMNNSA-N 1 2 218.304 1.708 20 0 BDADLO C/C=C/CNc1cc(NCC2CC2)nc[nH+]1 ZINC000624655272 342809605 /nfs/dbraw/zinc/80/96/05/342809605.db2.gz PAFWTSYCJACJFG-NSCUHMNNSA-N 1 2 218.304 1.708 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000623679711 398290361 /nfs/dbraw/zinc/29/03/61/398290361.db2.gz GSGGJPWGVSYLER-DTWKUNHWSA-N 1 2 206.280 1.571 20 0 BDADLO COC(=O)c1coc(C[NH+]2CCCCC2)n1 ZINC000036449199 342814188 /nfs/dbraw/zinc/81/41/88/342814188.db2.gz HLKQXQWARLHUBP-UHFFFAOYSA-N 1 2 224.260 1.447 20 0 BDADLO c1cc2ncc(-c3c[nH+]c4n3CCCC4)cn2n1 ZINC000630052090 361919619 /nfs/dbraw/zinc/91/96/19/361919619.db2.gz DXZOXZYQNAADAR-UHFFFAOYSA-N 1 2 239.282 1.929 20 0 BDADLO CCC(O)(CC)CN(C)c1cc(C)[nH+]cn1 ZINC000624712449 342821343 /nfs/dbraw/zinc/82/13/43/342821343.db2.gz HWEDDGQXXDZAFE-UHFFFAOYSA-N 1 2 223.320 1.772 20 0 BDADLO CC(C)[N@H+](Cc1ncccc1O)C1COC1 ZINC000564530320 323012861 /nfs/dbraw/zinc/01/28/61/323012861.db2.gz AIHPCPQDXKJCDQ-UHFFFAOYSA-N 1 2 222.288 1.396 20 0 BDADLO CC(C)[N@@H+](Cc1ncccc1O)C1COC1 ZINC000564530320 323012862 /nfs/dbraw/zinc/01/28/62/323012862.db2.gz AIHPCPQDXKJCDQ-UHFFFAOYSA-N 1 2 222.288 1.396 20 0 BDADLO COC[C@@]1(C)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000624773673 342827402 /nfs/dbraw/zinc/82/74/02/342827402.db2.gz PSSGNYLZBMZWBU-GFCCVEGCSA-N 1 2 237.303 1.027 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2ncccn2)[C@@H]1C ZINC000192031537 538994170 /nfs/dbraw/zinc/99/41/70/538994170.db2.gz ROFDYDHLWMHJHW-NXEZZACHSA-N 1 2 223.345 1.802 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2ncccn2)[C@@H]1C ZINC000192031537 538994172 /nfs/dbraw/zinc/99/41/72/538994172.db2.gz ROFDYDHLWMHJHW-NXEZZACHSA-N 1 2 223.345 1.802 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000188851705 538980149 /nfs/dbraw/zinc/98/01/49/538980149.db2.gz YELDRMGIPRVZII-PHIMTYICSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000188851705 538980151 /nfs/dbraw/zinc/98/01/51/538980151.db2.gz YELDRMGIPRVZII-PHIMTYICSA-N 1 2 235.331 1.847 20 0 BDADLO COCC1([NH2+][C@H](C)c2cn[nH]c2C)CC1 ZINC000379961470 538982512 /nfs/dbraw/zinc/98/25/12/538982512.db2.gz XBIOQEQQCMTJLD-MRVPVSSYSA-N 1 2 209.293 1.548 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(CC)no1 ZINC000069607754 342838582 /nfs/dbraw/zinc/83/85/82/342838582.db2.gz ZDLUMIROXKFEIA-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(CC)no1 ZINC000069607754 342838584 /nfs/dbraw/zinc/83/85/84/342838584.db2.gz ZDLUMIROXKFEIA-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCc1cc(N[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000049235898 539008585 /nfs/dbraw/zinc/00/85/85/539008585.db2.gz RVSYVCXMBGENAR-SNVBAGLBSA-N 1 2 231.303 1.736 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)cs1 ZINC000634424135 361946617 /nfs/dbraw/zinc/94/66/17/361946617.db2.gz NDFBKMDDUGJANG-UHFFFAOYSA-N 1 2 235.312 1.971 20 0 BDADLO Cc1nc(N[C@H](C)CF)c2c([nH+]1)CCCC2 ZINC000381233321 538996592 /nfs/dbraw/zinc/99/65/92/538996592.db2.gz LGCWJWWMTZSLHB-MRVPVSSYSA-N 1 2 223.295 1.856 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOC(F)(F)F ZINC000390466299 539022022 /nfs/dbraw/zinc/02/20/22/539022022.db2.gz HVBIKFCWQAFSRY-LURJTMIESA-N 1 2 237.225 1.905 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000389312541 539015896 /nfs/dbraw/zinc/01/58/96/539015896.db2.gz UZALEZCNYIPBKP-LBPRGKRZSA-N 1 2 246.289 1.731 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCCO1 ZINC000389667315 539016443 /nfs/dbraw/zinc/01/64/43/539016443.db2.gz QDQJUHOYYAOXMB-ONGXEEELSA-N 1 2 209.293 1.457 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCCO1 ZINC000389667312 539016645 /nfs/dbraw/zinc/01/66/45/539016645.db2.gz QDQJUHOYYAOXMB-GXSJLCMTSA-N 1 2 209.293 1.457 20 0 BDADLO CCC(C)(C)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754491 361992488 /nfs/dbraw/zinc/99/24/88/361992488.db2.gz JSMHFVDWHUNRQT-UHFFFAOYSA-N 1 2 219.292 1.737 20 0 BDADLO FC(F)OC[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000348877535 136242915 /nfs/dbraw/zinc/24/29/15/136242915.db2.gz OXVHXKQKMXNXNY-QMMMGPOBSA-N 1 2 232.230 1.736 20 0 BDADLO FC(F)OC[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000348877535 136242916 /nfs/dbraw/zinc/24/29/16/136242916.db2.gz OXVHXKQKMXNXNY-QMMMGPOBSA-N 1 2 232.230 1.736 20 0 BDADLO CSC[C@H](CCO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134571054 342868839 /nfs/dbraw/zinc/86/88/39/342868839.db2.gz OTAKXEAOHXRLDP-WPRPVWTQSA-N 1 2 243.376 1.483 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000034409117 342881210 /nfs/dbraw/zinc/88/12/10/342881210.db2.gz IPZRMRWMYGKPJZ-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000034409117 342881212 /nfs/dbraw/zinc/88/12/12/342881212.db2.gz IPZRMRWMYGKPJZ-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnns2)CCCO1 ZINC000625134596 342885967 /nfs/dbraw/zinc/88/59/67/342885967.db2.gz QSHJJKNGZSVESJ-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnns2)CCCO1 ZINC000625134596 342885969 /nfs/dbraw/zinc/88/59/69/342885969.db2.gz QSHJJKNGZSVESJ-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO CCCCc1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000134845162 342901198 /nfs/dbraw/zinc/90/11/98/342901198.db2.gz YWIJCPRJHAWADK-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000134845162 342901199 /nfs/dbraw/zinc/90/11/99/342901199.db2.gz YWIJCPRJHAWADK-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OC(C)(C)C ZINC000312992771 259328916 /nfs/dbraw/zinc/32/89/16/259328916.db2.gz OFYITQIHDDQGKN-VHSXEESVSA-N 1 2 243.347 1.731 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1noc(C(C)(C)C)n1 ZINC000302132851 398325506 /nfs/dbraw/zinc/32/55/06/398325506.db2.gz LAPQZGVWXKAXQQ-UHFFFAOYSA-N 1 2 249.318 1.737 20 0 BDADLO CCOC(=O)C1(C)CC([NH2+]CC(F)F)C1 ZINC000602652238 349659366 /nfs/dbraw/zinc/65/93/66/349659366.db2.gz ANLNRPCHZISPQX-UHFFFAOYSA-N 1 2 221.247 1.573 20 0 BDADLO CC[C@@H](O)[C@H](CC)Nc1cc(C)[nH+]cn1 ZINC000313092566 259330924 /nfs/dbraw/zinc/33/09/24/259330924.db2.gz JEKPMFCHDFTADA-VHSXEESVSA-N 1 2 209.293 1.746 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)no1 ZINC000351627726 136248941 /nfs/dbraw/zinc/24/89/41/136248941.db2.gz KEAMLYLKYYLGJZ-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)no1 ZINC000351627726 136248942 /nfs/dbraw/zinc/24/89/42/136248942.db2.gz KEAMLYLKYYLGJZ-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc(N(C)CC2CCCC2)nc(N)[nH+]1 ZINC000304454550 398336452 /nfs/dbraw/zinc/33/64/52/398336452.db2.gz KSOYFFXDGFXYPJ-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO Cc1nc(N)nc(N(C)CC2CCCC2)[nH+]1 ZINC000304454550 398336453 /nfs/dbraw/zinc/33/64/53/398336453.db2.gz KSOYFFXDGFXYPJ-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO C[C@@H](CNC(=O)C=C1CCC1)Cn1cc[nH+]c1 ZINC000119956629 398336566 /nfs/dbraw/zinc/33/65/66/398336566.db2.gz WJETXAHSIGRZLV-NSHDSACASA-N 1 2 233.315 1.746 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCCCCO1 ZINC000583444843 398337842 /nfs/dbraw/zinc/33/78/42/398337842.db2.gz NLRAJHRTWVXUQS-UHFFFAOYSA-N 1 2 238.291 1.047 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc[nH]1 ZINC000123454268 398338304 /nfs/dbraw/zinc/33/83/04/398338304.db2.gz XWQCBHHBTPGWTM-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351728774 136249937 /nfs/dbraw/zinc/24/99/37/136249937.db2.gz ALUDSHBPZVODML-GRYCIOLGSA-N 1 2 243.347 1.683 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351728774 136249938 /nfs/dbraw/zinc/24/99/38/136249938.db2.gz ALUDSHBPZVODML-GRYCIOLGSA-N 1 2 243.347 1.683 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC1(C)C ZINC000044367938 398338862 /nfs/dbraw/zinc/33/88/62/398338862.db2.gz NQRRPMMCFCFUJP-MRVPVSSYSA-N 1 2 217.276 1.574 20 0 BDADLO CCCCC1=NN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000634590366 342937569 /nfs/dbraw/zinc/93/75/69/342937569.db2.gz XITXKVUYZOHPHX-JTQLQIEISA-N 1 2 225.336 1.573 20 0 BDADLO CCCCc1[nH]n(CC[NH+](C)C)c(=O)c1C ZINC000634590366 342937570 /nfs/dbraw/zinc/93/75/70/342937570.db2.gz XITXKVUYZOHPHX-JTQLQIEISA-N 1 2 225.336 1.573 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1ccccc1Cl ZINC000010809249 342939104 /nfs/dbraw/zinc/93/91/04/342939104.db2.gz ZTMXZFGWRMZJJZ-UHFFFAOYSA-N 1 2 249.701 1.853 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCF)CC2 ZINC000626181469 346894456 /nfs/dbraw/zinc/89/44/56/346894456.db2.gz KQGWJPZKECWUPM-SNVBAGLBSA-N 1 2 239.294 1.230 20 0 BDADLO O=c1c2c([nH]n1CCc1ccccc1)CC[NH2+]C2 ZINC000634593472 342951362 /nfs/dbraw/zinc/95/13/62/342951362.db2.gz PMLIVFDTAQBJHB-GFCCVEGCSA-N 1 2 243.310 1.037 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CCCOC1 ZINC000493355381 529561393 /nfs/dbraw/zinc/56/13/93/529561393.db2.gz QELQSIDDHHEONQ-GZTOBOFZSA-N 1 2 249.314 1.211 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NOC1CCC1 ZINC000493671825 529554932 /nfs/dbraw/zinc/55/49/32/529554932.db2.gz CQNFGPGTAVOKRE-VOTSOKGWSA-N 1 2 235.287 1.517 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCCO1 ZINC000491985838 529556826 /nfs/dbraw/zinc/55/68/26/529556826.db2.gz YCSUUVBMVMQYDB-WAYWQWQTSA-N 1 2 235.287 1.470 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CC1CC1 ZINC000492528294 529557013 /nfs/dbraw/zinc/55/70/13/529557013.db2.gz FNMAQESGZFWHSG-SREVYHEPSA-N 1 2 233.315 1.785 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(F)C1 ZINC000492476625 529557228 /nfs/dbraw/zinc/55/72/28/529557228.db2.gz SRSSEFWPLZZEJX-ARJAWSKDSA-N 1 2 223.251 1.097 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(F)F ZINC000493470368 529558429 /nfs/dbraw/zinc/55/84/29/529558429.db2.gz ZKIWTGJYPRJPII-PLNGDYQASA-N 1 2 243.257 1.688 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NOCC1CC1 ZINC000492940438 529559620 /nfs/dbraw/zinc/55/96/20/529559620.db2.gz JTQRDODGTYOUDO-WAYWQWQTSA-N 1 2 235.287 1.374 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC[C@H](C)F ZINC000493127301 529559953 /nfs/dbraw/zinc/55/99/53/529559953.db2.gz RQKRLVWJTZLMIQ-LWTINBJPSA-N 1 2 239.294 1.781 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)C1CC1 ZINC000493799291 529560621 /nfs/dbraw/zinc/56/06/21/529560621.db2.gz XRAISOXOOFNZEW-GFVADAIESA-N 1 2 233.315 1.831 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H](OC)C1 ZINC000234909642 342966089 /nfs/dbraw/zinc/96/60/89/342966089.db2.gz ZZRQTRDRFRWMEM-HTQZYQBOSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H](OC)C1 ZINC000234909642 342966090 /nfs/dbraw/zinc/96/60/90/342966090.db2.gz ZZRQTRDRFRWMEM-HTQZYQBOSA-N 1 2 238.291 1.047 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)OCC1CC1 ZINC000192900933 346911798 /nfs/dbraw/zinc/91/17/98/346911798.db2.gz QRDDWGRRPXWHPY-UHFFFAOYSA-N 1 2 237.303 1.752 20 0 BDADLO Cc1nc(NC(=O)Cn2cc[nH+]c2)sc1C ZINC000048404552 342999197 /nfs/dbraw/zinc/99/91/97/342999197.db2.gz DENUYDOWZXBDNF-UHFFFAOYSA-N 1 2 236.300 1.595 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccoc1 ZINC000602762316 349733675 /nfs/dbraw/zinc/73/36/75/349733675.db2.gz GAJLQWMYPCKMMV-UHFFFAOYSA-N 1 2 207.277 1.514 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccoc1 ZINC000602762316 349733677 /nfs/dbraw/zinc/73/36/77/349733677.db2.gz GAJLQWMYPCKMMV-UHFFFAOYSA-N 1 2 207.277 1.514 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000602820642 349760938 /nfs/dbraw/zinc/76/09/38/349760938.db2.gz IGMBDTYHMXUZRB-GFCCVEGCSA-N 1 2 239.363 1.536 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000602820642 349760943 /nfs/dbraw/zinc/76/09/43/349760943.db2.gz IGMBDTYHMXUZRB-GFCCVEGCSA-N 1 2 239.363 1.536 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000602823030 349763274 /nfs/dbraw/zinc/76/32/74/349763274.db2.gz UHMJCLWLHBLHIZ-YPMHNXCESA-N 1 2 237.347 1.289 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000602823030 349763280 /nfs/dbraw/zinc/76/32/80/349763280.db2.gz UHMJCLWLHBLHIZ-YPMHNXCESA-N 1 2 237.347 1.289 20 0 BDADLO COC(=O)C1([NH2+]C[C@H]2CCCO2)CCCC1 ZINC000037957088 343018771 /nfs/dbraw/zinc/01/87/71/343018771.db2.gz QJTIOXOJVACQDG-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO Cc1ccn(C)c1C(=O)Nc1cc[nH+]cc1O ZINC000335904448 136260463 /nfs/dbraw/zinc/26/04/63/136260463.db2.gz HRUOQHOVEKJKJW-UHFFFAOYSA-N 1 2 231.255 1.108 20 0 BDADLO CCC(CC)Cn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634621688 343020262 /nfs/dbraw/zinc/02/02/62/343020262.db2.gz NETQMLPYMCRGHP-JTQLQIEISA-N 1 2 223.320 1.230 20 0 BDADLO C[C@H]1C[NH+](Cc2ncnn2C)C[C@H](C)C1(F)F ZINC000625648957 344025164 /nfs/dbraw/zinc/02/51/64/344025164.db2.gz KKASZXWNOFXHQZ-IUCAKERBSA-N 1 2 244.289 1.538 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1occc1C ZINC000602838616 349777344 /nfs/dbraw/zinc/77/73/44/349777344.db2.gz GEHVICBKKYEFGA-UHFFFAOYSA-N 1 2 221.304 1.823 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1occc1C ZINC000602838616 349777346 /nfs/dbraw/zinc/77/73/46/349777346.db2.gz GEHVICBKKYEFGA-UHFFFAOYSA-N 1 2 221.304 1.823 20 0 BDADLO Cc1cc(NC(=O)NC2(C(F)F)CC2)cc[nH+]1 ZINC000335910096 136262137 /nfs/dbraw/zinc/26/21/37/136262137.db2.gz CLNUMHRWDXRLTH-UHFFFAOYSA-N 1 2 241.241 1.731 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000169798383 343045392 /nfs/dbraw/zinc/04/53/92/343045392.db2.gz GRYJZJIEEOJTQY-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)C(C)C)cn2c1 ZINC000048747804 343056559 /nfs/dbraw/zinc/05/65/59/343056559.db2.gz SQMBYUCYDPLGPX-UHFFFAOYSA-N 1 2 231.299 1.915 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)C3CC3)cn2c1 ZINC000048747810 343056629 /nfs/dbraw/zinc/05/66/29/343056629.db2.gz NSRAGGZROQGEGW-UHFFFAOYSA-N 1 2 229.283 1.669 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC1CC1)C(C)C ZINC000119132113 343067909 /nfs/dbraw/zinc/06/79/09/343067909.db2.gz OZOXCUIRCJJJFQ-NSHDSACASA-N 1 2 229.320 1.200 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)s1 ZINC000358866529 136266843 /nfs/dbraw/zinc/26/68/43/136266843.db2.gz AJHCOKVGNXCYIL-VHSXEESVSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)s1 ZINC000358866529 136266844 /nfs/dbraw/zinc/26/68/44/136266844.db2.gz AJHCOKVGNXCYIL-VHSXEESVSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)s1 ZINC000358866531 136266902 /nfs/dbraw/zinc/26/69/02/136266902.db2.gz AJHCOKVGNXCYIL-ZJUUUORDSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)s1 ZINC000358866531 136266903 /nfs/dbraw/zinc/26/69/03/136266903.db2.gz AJHCOKVGNXCYIL-ZJUUUORDSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)s1 ZINC000358866527 136266909 /nfs/dbraw/zinc/26/69/09/136266909.db2.gz AJHCOKVGNXCYIL-UWVGGRQHSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)s1 ZINC000358866527 136266910 /nfs/dbraw/zinc/26/69/10/136266910.db2.gz AJHCOKVGNXCYIL-UWVGGRQHSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000359929273 136267740 /nfs/dbraw/zinc/26/77/40/136267740.db2.gz GHYJEBUITVHUSC-KOLCDFICSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000359929273 136267741 /nfs/dbraw/zinc/26/77/41/136267741.db2.gz GHYJEBUITVHUSC-KOLCDFICSA-N 1 2 249.362 1.516 20 0 BDADLO Cn1cc[nH+]c1Cn1cc(C(=O)C2CCC2)nn1 ZINC000640952740 362096516 /nfs/dbraw/zinc/09/65/16/362096516.db2.gz IZMCBDXEANSPPE-UHFFFAOYSA-N 1 2 245.286 1.043 20 0 BDADLO Cn1cc[nH+]c1Cn1cc(C(C)(C)C)nn1 ZINC000640953252 362096703 /nfs/dbraw/zinc/09/67/03/362096703.db2.gz IIFXSBGZGODPJO-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO C/C=C\c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952219 362097136 /nfs/dbraw/zinc/09/71/36/362097136.db2.gz FKIYVZAJTKEOHO-ARJAWSKDSA-N 1 2 203.249 1.093 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@H](C)CF ZINC000631137200 343145888 /nfs/dbraw/zinc/14/58/88/343145888.db2.gz XCLITSACZSCZQK-MRVPVSSYSA-N 1 2 200.261 1.307 20 0 BDADLO CCC[N@H+](CCn1cccn1)CC(=O)OCC ZINC000049947299 136271819 /nfs/dbraw/zinc/27/18/19/136271819.db2.gz GZBVQUMJUXKVAZ-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO CCC[N@@H+](CCn1cccn1)CC(=O)OCC ZINC000049947299 136271820 /nfs/dbraw/zinc/27/18/20/136271820.db2.gz GZBVQUMJUXKVAZ-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1CCCC1=O)n1cc[nH+]c1 ZINC000576949709 365729504 /nfs/dbraw/zinc/72/95/04/365729504.db2.gz KXEFDAGESZYXGR-QWRGUYRKSA-N 1 2 249.314 1.320 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN1Cc2cccnc2C1 ZINC000580546131 365740281 /nfs/dbraw/zinc/74/02/81/365740281.db2.gz YFRQRAOXQXVIGI-LBPRGKRZSA-N 1 2 247.342 1.118 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN1Cc2cccnc2C1 ZINC000580546131 365740285 /nfs/dbraw/zinc/74/02/85/365740285.db2.gz YFRQRAOXQXVIGI-LBPRGKRZSA-N 1 2 247.342 1.118 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)on1 ZINC000125412740 343173612 /nfs/dbraw/zinc/17/36/12/343173612.db2.gz ZSEYIZOPSZMXQV-SSDOTTSWSA-N 1 2 220.232 1.197 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000163390387 343206768 /nfs/dbraw/zinc/20/67/68/343206768.db2.gz SJRLHVMDJCUNKX-RKDXNWHRSA-N 1 2 229.320 1.077 20 0 BDADLO CC[C@H](C)[C@H](C)Nc1nc[nH+]c(N)c1OC ZINC000134844578 343191057 /nfs/dbraw/zinc/19/10/57/343191057.db2.gz QPHJUCSONMWMOQ-YUMQZZPRSA-N 1 2 224.308 1.914 20 0 BDADLO CC[C@H](C)[C@H](C)Nc1[nH+]cnc(N)c1OC ZINC000134844578 343191059 /nfs/dbraw/zinc/19/10/59/343191059.db2.gz QPHJUCSONMWMOQ-YUMQZZPRSA-N 1 2 224.308 1.914 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1ccc(C)nc1 ZINC000134884087 343191597 /nfs/dbraw/zinc/19/15/97/343191597.db2.gz HJYQASPIPUHDPR-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1ccc(C)nc1 ZINC000134884087 343191598 /nfs/dbraw/zinc/19/15/98/343191598.db2.gz HJYQASPIPUHDPR-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1ncccc1C ZINC000134889374 343192063 /nfs/dbraw/zinc/19/20/63/343192063.db2.gz JRIUMFWYURYRMB-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1ncccc1C ZINC000134889374 343192065 /nfs/dbraw/zinc/19/20/65/343192065.db2.gz JRIUMFWYURYRMB-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO O=S(=O)(CC1CCCC1)NCc1c[nH+]c[nH]1 ZINC000625298356 343226321 /nfs/dbraw/zinc/22/63/21/343226321.db2.gz OEODWDMCIKTCLM-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO O=S(=O)(CC1CCCC1)NCc1c[nH]c[nH+]1 ZINC000625298356 343226324 /nfs/dbraw/zinc/22/63/24/343226324.db2.gz OEODWDMCIKTCLM-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CCCCS2)[nH]n1 ZINC000087684224 136282278 /nfs/dbraw/zinc/28/22/78/136282278.db2.gz UXDAQKJBWKEZFI-SNVBAGLBSA-N 1 2 211.334 1.785 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000625312998 343231193 /nfs/dbraw/zinc/23/11/93/343231193.db2.gz HSXNTOBWPIOZHB-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000625312998 343231195 /nfs/dbraw/zinc/23/11/95/343231195.db2.gz HSXNTOBWPIOZHB-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384519654 343251538 /nfs/dbraw/zinc/25/15/38/343251538.db2.gz ATWRSERDNALCEO-BIIVOSGPSA-N 1 2 238.291 1.045 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384519654 343251539 /nfs/dbraw/zinc/25/15/39/343251539.db2.gz ATWRSERDNALCEO-BIIVOSGPSA-N 1 2 238.291 1.045 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000121272211 343265106 /nfs/dbraw/zinc/26/51/06/343265106.db2.gz IOCUYLXVRDPNIG-QWRGUYRKSA-N 1 2 237.347 1.761 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)no1 ZINC000621364492 343275093 /nfs/dbraw/zinc/27/50/93/343275093.db2.gz HGQPGJCLNFMKQK-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)no1 ZINC000621364492 343275096 /nfs/dbraw/zinc/27/50/96/343275096.db2.gz HGQPGJCLNFMKQK-NXEZZACHSA-N 1 2 239.319 1.082 20 0 BDADLO CC(C)n1cc(C[NH+]2CCC(CO)CC2)nn1 ZINC000347658952 136292961 /nfs/dbraw/zinc/29/29/61/136292961.db2.gz XGYQALZXLPMEHT-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cnn(C)c2)[nH+]1 ZINC000348722843 136295033 /nfs/dbraw/zinc/29/50/33/136295033.db2.gz YVNINQWNQPOIRL-UHFFFAOYSA-N 1 2 242.286 1.034 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335613159 136295502 /nfs/dbraw/zinc/29/55/02/136295502.db2.gz LULPQXXYJPNJRG-VIFPVBQESA-N 1 2 242.706 1.643 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000335613159 136295503 /nfs/dbraw/zinc/29/55/03/136295503.db2.gz LULPQXXYJPNJRG-VIFPVBQESA-N 1 2 242.706 1.643 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000037988966 343364297 /nfs/dbraw/zinc/36/42/97/343364297.db2.gz NDPOEAUQMNOOIW-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO CCO[C@H](C[N@H+](CCO)CC(F)F)C1CC1 ZINC000625382519 343366244 /nfs/dbraw/zinc/36/62/44/343366244.db2.gz BPLKDTFJAPBUOD-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO CCO[C@H](C[N@@H+](CCO)CC(F)F)C1CC1 ZINC000625382519 343366246 /nfs/dbraw/zinc/36/62/46/343366246.db2.gz BPLKDTFJAPBUOD-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO O=C(c1ccccc1F)N1CC[NH+](C2CC2)CC1 ZINC000038106748 343371102 /nfs/dbraw/zinc/37/11/02/343371102.db2.gz GXEDSFGSOIZZAU-UHFFFAOYSA-N 1 2 248.301 1.746 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@](C)(O)C1CC1 ZINC000348834360 136301424 /nfs/dbraw/zinc/30/14/24/136301424.db2.gz ONTSTKQNLWNLNS-ZDUSSCGKSA-N 1 2 249.314 1.094 20 0 BDADLO C[C@H](CN1CCCCC1)[NH2+]Cc1cc[nH]n1 ZINC000037154359 343336719 /nfs/dbraw/zinc/33/67/19/343336719.db2.gz ITMUKUPSWGAQKQ-LLVKDONJSA-N 1 2 222.336 1.374 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1ncc(C)n1C ZINC000348836488 136302418 /nfs/dbraw/zinc/30/24/18/136302418.db2.gz WTFDHPJGBQBQNH-JTQLQIEISA-N 1 2 211.309 1.195 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1ncc(C)n1C ZINC000348836488 136302419 /nfs/dbraw/zinc/30/24/19/136302419.db2.gz WTFDHPJGBQBQNH-JTQLQIEISA-N 1 2 211.309 1.195 20 0 BDADLO CO[C@@H](C)CN(C)Cc1[nH+]cc(C)n1C ZINC000348836488 136302420 /nfs/dbraw/zinc/30/24/20/136302420.db2.gz WTFDHPJGBQBQNH-JTQLQIEISA-N 1 2 211.309 1.195 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(CCO)CC1CC1 ZINC000348863097 136302479 /nfs/dbraw/zinc/30/24/79/136302479.db2.gz WVQIXOZCOWHENF-UHFFFAOYSA-N 1 2 249.314 1.048 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cccc2c1OCO2 ZINC000040667562 343407925 /nfs/dbraw/zinc/40/79/25/343407925.db2.gz IOCJAYWUUVICEK-UHFFFAOYSA-N 1 2 245.282 1.439 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]cc1C)[C@@H]1CCOC1 ZINC000335679128 136319815 /nfs/dbraw/zinc/31/98/15/136319815.db2.gz FBYFTCAYNAGVGZ-LLVKDONJSA-N 1 2 249.314 1.455 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335728483 136347725 /nfs/dbraw/zinc/34/77/25/136347725.db2.gz PCUSFUAIHJNSEW-HTQZYQBOSA-N 1 2 221.247 1.525 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335728483 136347726 /nfs/dbraw/zinc/34/77/26/136347726.db2.gz PCUSFUAIHJNSEW-HTQZYQBOSA-N 1 2 221.247 1.525 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@](C)(F)C1 ZINC000335728699 136348158 /nfs/dbraw/zinc/34/81/58/136348158.db2.gz UBZLRACDNHFPBT-LLVKDONJSA-N 1 2 240.282 1.064 20 0 BDADLO Cc1ccc(N[C@@H]2CCC(=O)NC2(C)C)c[nH+]1 ZINC000335681387 136328948 /nfs/dbraw/zinc/32/89/48/136328948.db2.gz JOVXVBLTLBFCHW-LLVKDONJSA-N 1 2 233.315 1.859 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCSC2)c[nH+]1 ZINC000335713097 136338087 /nfs/dbraw/zinc/33/80/87/136338087.db2.gz GGGABGWFMZOEGN-MRVPVSSYSA-N 1 2 225.317 1.201 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335719904 136341069 /nfs/dbraw/zinc/34/10/69/136341069.db2.gz DIHQQHXNXKACOE-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000335719904 136341070 /nfs/dbraw/zinc/34/10/70/136341070.db2.gz DIHQQHXNXKACOE-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680113 343459491 /nfs/dbraw/zinc/45/94/91/343459491.db2.gz QBAMMKMCYXTLRK-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680113 343459494 /nfs/dbraw/zinc/45/94/94/343459494.db2.gz QBAMMKMCYXTLRK-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCOC2)o1 ZINC000335850362 136355230 /nfs/dbraw/zinc/35/52/30/136355230.db2.gz TUUQUQQPXLRSCL-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCCOC2)o1 ZINC000335850362 136355231 /nfs/dbraw/zinc/35/52/31/136355231.db2.gz TUUQUQQPXLRSCL-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@@](F)(CO)C1 ZINC000335896842 136359272 /nfs/dbraw/zinc/35/92/72/136359272.db2.gz FONWJDJOKLPHED-ZDUSSCGKSA-N 1 2 249.289 1.484 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000335899940 136360205 /nfs/dbraw/zinc/36/02/05/136360205.db2.gz FRXCMVQXJKGBLJ-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000335899940 136360206 /nfs/dbraw/zinc/36/02/06/136360206.db2.gz FRXCMVQXJKGBLJ-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)nn1C ZINC000351097304 136367729 /nfs/dbraw/zinc/36/77/29/136367729.db2.gz IWBYJHXVAQGJJQ-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCn1cncn1 ZINC000167011094 136367928 /nfs/dbraw/zinc/36/79/28/136367928.db2.gz RNEWFJFQDNHSNF-GHMZBOCLSA-N 1 2 222.336 1.692 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000351499515 136368757 /nfs/dbraw/zinc/36/87/57/136368757.db2.gz CMEFXIZMUDLNIL-SCZZXKLOSA-N 1 2 219.288 1.171 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000616489809 343476466 /nfs/dbraw/zinc/47/64/66/343476466.db2.gz CUGKVDPLICMNPB-NXEZZACHSA-N 1 2 235.331 1.781 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CC=CC1 ZINC000082866123 343469193 /nfs/dbraw/zinc/46/91/93/343469193.db2.gz VAXDUCBLLDKBRM-UHFFFAOYSA-N 1 2 205.261 1.334 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)N1CCCC1 ZINC000045295291 343527610 /nfs/dbraw/zinc/52/76/10/343527610.db2.gz VHOZRKLWZGKWMD-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C(=O)OC ZINC000619183064 343544684 /nfs/dbraw/zinc/54/46/84/343544684.db2.gz NCROUYOXSIFTRB-ZYHUDNBSSA-N 1 2 236.315 1.726 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)ccn1 ZINC000616744416 343558111 /nfs/dbraw/zinc/55/81/11/343558111.db2.gz UQYUSVVQLSNFIU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)ccn1 ZINC000616744416 343558114 /nfs/dbraw/zinc/55/81/14/343558114.db2.gz UQYUSVVQLSNFIU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cc(F)cc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000124474937 343560421 /nfs/dbraw/zinc/56/04/21/343560421.db2.gz ZTAPFQOHPGXYDT-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO C[C@H](CCO)SCc1c[nH+]cn1C ZINC000085191632 343587234 /nfs/dbraw/zinc/58/72/34/343587234.db2.gz WHUOJWOZHBXMTH-MRVPVSSYSA-N 1 2 200.307 1.424 20 0 BDADLO COC(=O)[C@H]([NH2+]CCn1cccn1)C(C)(C)C ZINC000118961128 343580611 /nfs/dbraw/zinc/58/06/11/343580611.db2.gz IUORYIABQSUVSP-JTQLQIEISA-N 1 2 239.319 1.060 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C(C)C)C1CC1 ZINC000620044991 343599855 /nfs/dbraw/zinc/59/98/55/343599855.db2.gz RUFZFFXBKLMIFT-ZDUSSCGKSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C(C)C)C1CC1 ZINC000620044991 343599856 /nfs/dbraw/zinc/59/98/56/343599856.db2.gz RUFZFFXBKLMIFT-ZDUSSCGKSA-N 1 2 235.331 1.811 20 0 BDADLO CCc1nc(C[N@H+](CC)CCC(=O)OC)no1 ZINC000050053572 343608589 /nfs/dbraw/zinc/60/85/89/343608589.db2.gz SBQYETVNCJGFEO-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO CCc1nc(C[N@@H+](CC)CCC(=O)OC)no1 ZINC000050053572 343608591 /nfs/dbraw/zinc/60/85/91/343608591.db2.gz SBQYETVNCJGFEO-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO COC(=O)[C@H]([NH2+]CCSC(C)C)C(C)C ZINC000379859297 343643419 /nfs/dbraw/zinc/64/34/19/343643419.db2.gz LHYNABJTFVTIBX-SNVBAGLBSA-N 1 2 233.377 1.915 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)C1CC1 ZINC000047914948 343644388 /nfs/dbraw/zinc/64/43/88/343644388.db2.gz ZAYYSEUWNXKFGG-UHFFFAOYSA-N 1 2 209.297 1.067 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)C1CC1 ZINC000047914948 343644390 /nfs/dbraw/zinc/64/43/90/343644390.db2.gz ZAYYSEUWNXKFGG-UHFFFAOYSA-N 1 2 209.297 1.067 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000390596911 537799001 /nfs/dbraw/zinc/79/90/01/537799001.db2.gz ANSVEOFNBCLHIZ-GFCCVEGCSA-N 1 2 223.320 1.705 20 0 BDADLO CCc1cc(NCCc2cnn(C)c2)nc[nH+]1 ZINC000083530059 343626840 /nfs/dbraw/zinc/62/68/40/343626840.db2.gz XMBBUQSFSCOZNX-UHFFFAOYSA-N 1 2 231.303 1.427 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCCOCC1 ZINC000380052858 343673492 /nfs/dbraw/zinc/67/34/92/343673492.db2.gz VXLHEOWKEROZSQ-MRVPVSSYSA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCCOCC1 ZINC000380052858 343673493 /nfs/dbraw/zinc/67/34/93/343673493.db2.gz VXLHEOWKEROZSQ-MRVPVSSYSA-N 1 2 238.291 1.048 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(=O)[C@@H](C)C2)ccn1 ZINC000391276791 343661154 /nfs/dbraw/zinc/66/11/54/343661154.db2.gz LYFXYADWZKFOFA-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CCC(=O)[C@@H](C)C2)ccn1 ZINC000391276791 343661157 /nfs/dbraw/zinc/66/11/57/343661157.db2.gz LYFXYADWZKFOFA-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO COC(=O)[C@@H](NCc1c[nH+]cn1C)C(C)(C)C ZINC000119234861 343679698 /nfs/dbraw/zinc/67/96/98/343679698.db2.gz BTFXIRWSJJECAB-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)OC)C(C)(C)C ZINC000379983044 343663505 /nfs/dbraw/zinc/66/35/05/343663505.db2.gz IMILVAZLHKXUEM-IUCAKERBSA-N 1 2 217.309 1.199 20 0 BDADLO CNC(=O)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000336347602 537802611 /nfs/dbraw/zinc/80/26/11/537802611.db2.gz WHYXOPOKDDOKRH-UHFFFAOYSA-N 1 2 245.282 1.006 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)OC1CCC1 ZINC000496187197 529814125 /nfs/dbraw/zinc/81/41/25/529814125.db2.gz QAPMKPCQCPDNES-UHFFFAOYSA-N 1 2 249.314 1.926 20 0 BDADLO COc1ncccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000625435719 343732983 /nfs/dbraw/zinc/73/29/83/343732983.db2.gz UQCQBKQKLUQUQY-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO c1ncc(CN2CCc3[nH+]c[nH]c3C2)s1 ZINC000625434041 343734754 /nfs/dbraw/zinc/73/47/54/343734754.db2.gz AQOKERDHPFKTJH-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO Cc1cc(CN2CCc3[nH+]c[nH]c3C2)on1 ZINC000625434705 343735997 /nfs/dbraw/zinc/73/59/97/343735997.db2.gz FPLLATUPYCFBSO-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO C[N@H+](CC=Cc1ccncc1)Cc1cc[nH]n1 ZINC000494932959 529820811 /nfs/dbraw/zinc/82/08/11/529820811.db2.gz ROZRVFBGYIKVAI-IHWYPQMZSA-N 1 2 228.299 1.950 20 0 BDADLO C[N@@H+](CC=Cc1ccncc1)Cc1cc[nH]n1 ZINC000494932959 529820812 /nfs/dbraw/zinc/82/08/12/529820812.db2.gz ROZRVFBGYIKVAI-IHWYPQMZSA-N 1 2 228.299 1.950 20 0 BDADLO Cc1nc(N2CCC[C@@H]2c2cn[nH]c2)cc[nH+]1 ZINC000624382259 343743994 /nfs/dbraw/zinc/74/39/94/343743994.db2.gz UXBAVBAKYJLCNF-LLVKDONJSA-N 1 2 229.287 1.850 20 0 BDADLO COCC[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000088495745 343726212 /nfs/dbraw/zinc/72/62/12/343726212.db2.gz DEJYXNOBLYKGCB-MRVPVSSYSA-N 1 2 227.333 1.884 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@](O)(C2CC2)C1 ZINC000624396857 343752913 /nfs/dbraw/zinc/75/29/13/343752913.db2.gz GTEFRWHCVKBUKD-CQSZACIVSA-N 1 2 248.326 1.832 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H](O)C12CCC2 ZINC000624400966 343753774 /nfs/dbraw/zinc/75/37/74/343753774.db2.gz CUFPFFWVECLFNW-GHMZBOCLSA-N 1 2 234.299 1.806 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@H](O)C[C@H]2C)c(C)[nH+]1 ZINC000335874995 344037642 /nfs/dbraw/zinc/03/76/42/344037642.db2.gz WKIAKNDNHCYSDT-MWLCHTKSSA-N 1 2 249.314 1.685 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCn2ncnc2C1 ZINC000528451661 262949163 /nfs/dbraw/zinc/94/91/63/262949163.db2.gz LUILUVSYSDVMLV-WAPJZHGLSA-N 1 2 212.684 1.236 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCn2ncnc2C1 ZINC000528451661 262949165 /nfs/dbraw/zinc/94/91/65/262949165.db2.gz LUILUVSYSDVMLV-WAPJZHGLSA-N 1 2 212.684 1.236 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc2ccc(F)cc2[nH]1 ZINC000488319169 529852225 /nfs/dbraw/zinc/85/22/25/529852225.db2.gz YLEYEWZJBVUZAW-UHFFFAOYSA-N 1 2 235.262 1.224 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc2ccc(F)cc2[nH]1 ZINC000488319169 529852226 /nfs/dbraw/zinc/85/22/26/529852226.db2.gz YLEYEWZJBVUZAW-UHFFFAOYSA-N 1 2 235.262 1.224 20 0 BDADLO CN(CCC(F)(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493399004 529874084 /nfs/dbraw/zinc/87/40/84/529874084.db2.gz XBZXMGVGSFTYMY-NSCUHMNNSA-N 1 2 247.220 1.834 20 0 BDADLO CN(C)c1nccc(C[NH2+]Cc2ccccn2)n1 ZINC000128368184 343826868 /nfs/dbraw/zinc/82/68/68/343826868.db2.gz VFANOKHKYKKXPV-UHFFFAOYSA-N 1 2 243.314 1.227 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnccn1 ZINC000570495227 323061107 /nfs/dbraw/zinc/06/11/07/323061107.db2.gz FKPPMLMQPVOIAG-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnccn1 ZINC000570495227 323061108 /nfs/dbraw/zinc/06/11/08/323061108.db2.gz FKPPMLMQPVOIAG-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nc(C)oc1C ZINC000595308227 537828443 /nfs/dbraw/zinc/82/84/43/537828443.db2.gz GJUZMROCKZXMKW-UHFFFAOYSA-N 1 2 240.303 1.676 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nc(C)oc1C ZINC000595308227 537828449 /nfs/dbraw/zinc/82/84/49/537828449.db2.gz GJUZMROCKZXMKW-UHFFFAOYSA-N 1 2 240.303 1.676 20 0 BDADLO CCO[C@@H](C[N@@H+]1CCN(C(=O)CC)C1)C1CC1 ZINC000625483360 343881847 /nfs/dbraw/zinc/88/18/47/343881847.db2.gz DAVWQQVUYOJBMT-LBPRGKRZSA-N 1 2 240.347 1.313 20 0 BDADLO CCO[C@@H](C[N@H+]1CCN(C(=O)CC)C1)C1CC1 ZINC000625483360 343881848 /nfs/dbraw/zinc/88/18/48/343881848.db2.gz DAVWQQVUYOJBMT-LBPRGKRZSA-N 1 2 240.347 1.313 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC ZINC000402149684 349886877 /nfs/dbraw/zinc/88/68/77/349886877.db2.gz OPHAXLYKZNQYMX-MXWKQRLJSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](N[C@@H](C)c1[nH]cc[nH+]1)c1ccon1 ZINC000336745533 537834938 /nfs/dbraw/zinc/83/49/38/537834938.db2.gz BGYKTFXLDXRVQU-YUMQZZPRSA-N 1 2 206.249 1.810 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000603232029 349892141 /nfs/dbraw/zinc/89/21/41/349892141.db2.gz TWJVKVROEIWDOS-NEPJUHHUSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000603232029 349892142 /nfs/dbraw/zinc/89/21/42/349892142.db2.gz TWJVKVROEIWDOS-NEPJUHHUSA-N 1 2 242.363 1.115 20 0 BDADLO CCO[C@@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000625534705 343920196 /nfs/dbraw/zinc/92/01/96/343920196.db2.gz GDZHZJFLZHGTPQ-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000625534705 343920197 /nfs/dbraw/zinc/92/01/97/343920197.db2.gz GDZHZJFLZHGTPQ-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000625538807 343925386 /nfs/dbraw/zinc/92/53/86/343925386.db2.gz LPWCGOLDGWXPTQ-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1cn(C)nn1)C1CC1 ZINC000625538807 343925389 /nfs/dbraw/zinc/92/53/89/343925389.db2.gz LPWCGOLDGWXPTQ-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc(F)n1 ZINC000070855172 343956939 /nfs/dbraw/zinc/95/69/39/343956939.db2.gz ZRHMVMJGVGGLPL-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO CCc1nc(C[N@H+](C)CC2(C)COC2)no1 ZINC000625787892 344074670 /nfs/dbraw/zinc/07/46/70/344074670.db2.gz DNDFZYZSPNAUNS-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nc(C[N@@H+](C)CC2(C)COC2)no1 ZINC000625787892 344074672 /nfs/dbraw/zinc/07/46/72/344074672.db2.gz DNDFZYZSPNAUNS-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC000625727929 344059022 /nfs/dbraw/zinc/05/90/22/344059022.db2.gz RELROTWGWFUMES-JTQLQIEISA-N 1 2 247.216 1.631 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC000625727929 344059026 /nfs/dbraw/zinc/05/90/26/344059026.db2.gz RELROTWGWFUMES-JTQLQIEISA-N 1 2 247.216 1.631 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCCO2)c1 ZINC000641249361 362324294 /nfs/dbraw/zinc/32/42/94/362324294.db2.gz JSUURQDKWXOUAK-JTQLQIEISA-N 1 2 208.261 1.165 20 0 BDADLO CN(C)c1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625841167 344094982 /nfs/dbraw/zinc/09/49/82/344094982.db2.gz DMGSVHNYXOGDQR-UHFFFAOYSA-N 1 2 222.292 1.262 20 0 BDADLO CCCN(CC(=O)N(C)C)c1cc[nH+]cc1F ZINC000641303875 362357354 /nfs/dbraw/zinc/35/73/54/362357354.db2.gz APHHBUZKXNBJOH-UHFFFAOYSA-N 1 2 239.294 1.525 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C1CCC1)CC2 ZINC000625852586 344123591 /nfs/dbraw/zinc/12/35/91/344123591.db2.gz NDWKMBOHJRWTNH-NSHDSACASA-N 1 2 247.342 1.765 20 0 BDADLO c1c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nn2c1CCC2 ZINC000625853738 344125214 /nfs/dbraw/zinc/12/52/14/344125214.db2.gz CPFMXXYBNZUZJV-UONOGXRCSA-N 1 2 247.342 1.583 20 0 BDADLO c1c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nn2c1CCC2 ZINC000625853738 344125216 /nfs/dbraw/zinc/12/52/16/344125216.db2.gz CPFMXXYBNZUZJV-UONOGXRCSA-N 1 2 247.342 1.583 20 0 BDADLO O=C(CNc1cc(CO)cc[nH+]1)NC1CCCC1 ZINC000641321054 362362926 /nfs/dbraw/zinc/36/29/26/362362926.db2.gz LAJDREWOYXFNFH-UHFFFAOYSA-N 1 2 249.314 1.045 20 0 BDADLO CC[C@H](C)Cc1noc(Cn2cc[nH+]c2)n1 ZINC000632248545 344148209 /nfs/dbraw/zinc/14/82/09/344148209.db2.gz UBKLSRGUDSYFEO-VIFPVBQESA-N 1 2 220.276 1.903 20 0 BDADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)ccc1O ZINC000157007971 344152432 /nfs/dbraw/zinc/15/24/32/344152432.db2.gz KUZCLWMWDOPUMA-UHFFFAOYSA-N 1 2 231.255 1.536 20 0 BDADLO Cc1csc(C[NH2+][C@H](C)CN(C)C)n1 ZINC000130489838 344221993 /nfs/dbraw/zinc/22/19/93/344221993.db2.gz TYSWSBGEFCBQFK-MRVPVSSYSA-N 1 2 213.350 1.491 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)co1 ZINC000634757831 344225819 /nfs/dbraw/zinc/22/58/19/344225819.db2.gz BKILREKCIKVUOF-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@@H](C(F)F)CC2)co1 ZINC000634757831 344225821 /nfs/dbraw/zinc/22/58/21/344225821.db2.gz BKILREKCIKVUOF-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO OCc1cc[nH+]c(NCC2CCOCC2)c1 ZINC000641323915 362363885 /nfs/dbraw/zinc/36/38/85/362363885.db2.gz MLCBFCFIBWOSTO-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO COc1cc[nH+]cc1CSCCC(N)=O ZINC000588923741 344201520 /nfs/dbraw/zinc/20/15/20/344201520.db2.gz KIVHRRKQUQFRKH-UHFFFAOYSA-N 1 2 226.301 1.199 20 0 BDADLO CSC[C@@H](C)Nc1cc[nH+]cc1F ZINC000603291368 349907837 /nfs/dbraw/zinc/90/78/37/349907837.db2.gz GLVPAHZYFCFNKA-SSDOTTSWSA-N 1 2 200.282 1.806 20 0 BDADLO Cc1nc(N[C@@H](C)CCc2ccco2)nc(N)[nH+]1 ZINC000384995245 344288546 /nfs/dbraw/zinc/28/85/46/344288546.db2.gz RLEJXJIYEBJBSO-QMMMGPOBSA-N 1 2 247.302 1.041 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)CCc2ccco2)[nH+]1 ZINC000384995245 344288549 /nfs/dbraw/zinc/28/85/49/344288549.db2.gz RLEJXJIYEBJBSO-QMMMGPOBSA-N 1 2 247.302 1.041 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000067744461 344289014 /nfs/dbraw/zinc/28/90/14/344289014.db2.gz WLGFGTUJXXXTRG-UHFFFAOYSA-N 1 2 230.311 1.528 20 0 BDADLO C[C@@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641374455 362382562 /nfs/dbraw/zinc/38/25/62/362382562.db2.gz LSQHULXOPYVUBH-NSHDSACASA-N 1 2 210.252 1.481 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573575628 344320154 /nfs/dbraw/zinc/32/01/54/344320154.db2.gz HLLOOUFJEILBAF-VIFPVBQESA-N 1 2 209.293 1.457 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573575628 344320155 /nfs/dbraw/zinc/32/01/55/344320155.db2.gz HLLOOUFJEILBAF-VIFPVBQESA-N 1 2 209.293 1.457 20 0 BDADLO OCc1cc[nH+]c(NCCc2cscn2)c1 ZINC000641379683 362383592 /nfs/dbraw/zinc/38/35/92/362383592.db2.gz BBJHUTZDNBHLAU-UHFFFAOYSA-N 1 2 235.312 1.685 20 0 BDADLO C[C@@]1(CNc2cc(CO)cc[nH+]2)CCOC1 ZINC000641375469 362380674 /nfs/dbraw/zinc/38/06/74/362380674.db2.gz XHZWMQJAZVZJEM-LBPRGKRZSA-N 1 2 222.288 1.412 20 0 BDADLO CO[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000620605785 344356885 /nfs/dbraw/zinc/35/68/85/344356885.db2.gz KCXXCVFUWGNAJH-WPRPVWTQSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@]1(CNc2cc(CO)cc[nH+]2)CCOC1 ZINC000641375468 362381061 /nfs/dbraw/zinc/38/10/61/362381061.db2.gz XHZWMQJAZVZJEM-GFCCVEGCSA-N 1 2 222.288 1.412 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)o1 ZINC000093049887 344307709 /nfs/dbraw/zinc/30/77/09/344307709.db2.gz IQDFTOIZQTYFBO-LLVKDONJSA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)o1 ZINC000093049887 344307712 /nfs/dbraw/zinc/30/77/12/344307712.db2.gz IQDFTOIZQTYFBO-LLVKDONJSA-N 1 2 222.288 1.298 20 0 BDADLO O=C([C@H]1CC[N@@H+](CC(F)F)C1)N1CCCC1 ZINC000672572855 488260280 /nfs/dbraw/zinc/26/02/80/488260280.db2.gz JVRCGCHUZBRWJC-VIFPVBQESA-N 1 2 232.274 1.196 20 0 BDADLO O=C([C@H]1CC[N@H+](CC(F)F)C1)N1CCCC1 ZINC000672572855 488260282 /nfs/dbraw/zinc/26/02/82/488260282.db2.gz JVRCGCHUZBRWJC-VIFPVBQESA-N 1 2 232.274 1.196 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1nc(C)no1 ZINC000631429043 344392843 /nfs/dbraw/zinc/39/28/43/344392843.db2.gz QBUVLKUCRAQSHQ-SSDOTTSWSA-N 1 2 249.274 1.085 20 0 BDADLO CC1(C)[C@H](Nc2cc(CO)cc[nH+]2)[C@@H]2CCO[C@H]21 ZINC000641390845 362389778 /nfs/dbraw/zinc/38/97/78/362389778.db2.gz IWGKGFXDZJNBBP-CYZMBNFOSA-N 1 2 248.326 1.799 20 0 BDADLO CC[C@H](O)CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620650786 344436282 /nfs/dbraw/zinc/43/62/82/344436282.db2.gz DFOXWOPDSWFMIJ-NSHDSACASA-N 1 2 247.298 1.742 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1cccs1)C1CC1 ZINC000041047602 344415239 /nfs/dbraw/zinc/41/52/39/344415239.db2.gz DZUGWRLFXJAPLL-JTQLQIEISA-N 1 2 225.313 1.789 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000227505189 344466730 /nfs/dbraw/zinc/46/67/30/344466730.db2.gz VZCARBHSKPUGAP-XLPZGREQSA-N 1 2 203.307 1.032 20 0 BDADLO CCCSCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378535 347052284 /nfs/dbraw/zinc/05/22/84/347052284.db2.gz JIJSQLMVMQAQJM-UHFFFAOYSA-N 1 2 239.344 1.438 20 0 BDADLO CCCSCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378535 347052287 /nfs/dbraw/zinc/05/22/87/347052287.db2.gz JIJSQLMVMQAQJM-UHFFFAOYSA-N 1 2 239.344 1.438 20 0 BDADLO CCc1nc(C[N@H+](C)C2CCOCC2)no1 ZINC000531104433 344480167 /nfs/dbraw/zinc/48/01/67/344480167.db2.gz LVGRESXPYZEGSW-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nc(C[N@@H+](C)C2CCOCC2)no1 ZINC000531104433 344480168 /nfs/dbraw/zinc/48/01/68/344480168.db2.gz LVGRESXPYZEGSW-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nc(C[NH2+][C@](C)(CO)C(C)C)no1 ZINC000309981786 344487561 /nfs/dbraw/zinc/48/75/61/344487561.db2.gz WJULUEBJNNLVKA-LLVKDONJSA-N 1 2 227.308 1.129 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC(C1CC1)C1CC1 ZINC000081242564 344514314 /nfs/dbraw/zinc/51/43/14/344514314.db2.gz SELNTCUGPZOLJF-UHFFFAOYSA-N 1 2 247.342 1.826 20 0 BDADLO CC[C@@H](C[C@H](C)CO)Nc1cc[nH+]cc1F ZINC000641411515 362402693 /nfs/dbraw/zinc/40/26/93/362402693.db2.gz WMDYKQYPEYKXDX-UWVGGRQHSA-N 1 2 226.295 1.852 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H](CC)CO)n1 ZINC000345847678 344520696 /nfs/dbraw/zinc/52/06/96/344520696.db2.gz ZJKRXGQVHYUXKE-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H](CC)CO)n1 ZINC000345847678 344520697 /nfs/dbraw/zinc/52/06/97/344520697.db2.gz ZJKRXGQVHYUXKE-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000043628432 344528965 /nfs/dbraw/zinc/52/89/65/344528965.db2.gz LOFUPTUBRAFDPW-SECBINFHSA-N 1 2 208.261 1.075 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000043628432 344528966 /nfs/dbraw/zinc/52/89/66/344528966.db2.gz LOFUPTUBRAFDPW-SECBINFHSA-N 1 2 208.261 1.075 20 0 BDADLO COC(=O)[C@@H](C)CSCc1ccc[nH+]c1N ZINC000603314802 349912231 /nfs/dbraw/zinc/91/22/31/349912231.db2.gz AWOZEDKZCVKCMF-QMMMGPOBSA-N 1 2 240.328 1.706 20 0 BDADLO CCC[C@@H](CCO)CNc1cc[nH+]cc1F ZINC000641405954 362397189 /nfs/dbraw/zinc/39/71/89/362397189.db2.gz CZUBGSBERQSTRF-JTQLQIEISA-N 1 2 226.295 1.853 20 0 BDADLO C[C@@H]1C[C@H]1N1C[C@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641406009 362397795 /nfs/dbraw/zinc/39/77/95/362397795.db2.gz LDTAKDKSBYBASN-KBVBSXBZSA-N 1 2 249.289 1.064 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000641439491 362420308 /nfs/dbraw/zinc/42/03/08/362420308.db2.gz DXIMEGWIAVSLND-JHJVBQTASA-N 1 2 248.326 1.943 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000577731684 344591020 /nfs/dbraw/zinc/59/10/20/344591020.db2.gz NJWAUCSGOBVWPP-SDDRHHMPSA-N 1 2 245.363 1.979 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1cc(CO)ccn1 ZINC000641446300 362423186 /nfs/dbraw/zinc/42/31/86/362423186.db2.gz DXNIOLFGJSTMGS-UHFFFAOYSA-N 1 2 246.314 1.297 20 0 BDADLO CC(C)(CO)CNc1cc(CO)cc[nH+]1 ZINC000641450136 362424650 /nfs/dbraw/zinc/42/46/50/362424650.db2.gz CLEWEDISPRZARV-UHFFFAOYSA-N 1 2 210.277 1.004 20 0 BDADLO CCC[C@@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641464197 362434164 /nfs/dbraw/zinc/43/41/64/362434164.db2.gz NACKCUOOGUKTGH-GFCCVEGCSA-N 1 2 236.315 1.579 20 0 BDADLO C[C@@H](CCO)SCc1cn(C)c[nH+]1 ZINC000603319951 349913937 /nfs/dbraw/zinc/91/39/37/349913937.db2.gz NOZBFUCLNCNXIV-QMMMGPOBSA-N 1 2 200.307 1.424 20 0 BDADLO CCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000152486273 344579688 /nfs/dbraw/zinc/57/96/88/344579688.db2.gz JIQKNUYFXRABFR-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000152486273 344579690 /nfs/dbraw/zinc/57/96/90/344579690.db2.gz JIQKNUYFXRABFR-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CCOC[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000625951551 344588661 /nfs/dbraw/zinc/58/86/61/344588661.db2.gz QHEKUVKHCCZOAA-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CCOC[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000625951551 344588663 /nfs/dbraw/zinc/58/86/63/344588663.db2.gz QHEKUVKHCCZOAA-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO Cc1c(CN(C)c2cc[nH+]cc2F)cnn1C ZINC000641545071 362492380 /nfs/dbraw/zinc/49/23/80/362492380.db2.gz JNANAJVOJXONCQ-UHFFFAOYSA-N 1 2 234.278 1.899 20 0 BDADLO OCc1cc[nH+]c(NCCOCC2CCC2)c1 ZINC000641491310 362459555 /nfs/dbraw/zinc/45/95/55/362459555.db2.gz OSSVHOOPUVUODJ-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C12CC(C1)C2 ZINC000625966591 344615012 /nfs/dbraw/zinc/61/50/12/344615012.db2.gz OJDRRKCCBBBPTJ-UHFFFAOYSA-N 1 2 205.261 1.134 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641497179 362463439 /nfs/dbraw/zinc/46/34/39/362463439.db2.gz QFGJKKCFUISBSM-XADBCAIWSA-N 1 2 210.252 1.382 20 0 BDADLO CC[C@@]1(O)CCN(c2cc[nH+]cc2F)C1 ZINC000641505707 362464519 /nfs/dbraw/zinc/46/45/19/362464519.db2.gz UERNMQWSTQZCOR-LLVKDONJSA-N 1 2 210.252 1.572 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641504150 362466350 /nfs/dbraw/zinc/46/63/50/362466350.db2.gz WIURGFCOBSAVLF-NXEZZACHSA-N 1 2 222.288 1.145 20 0 BDADLO CCO[C@@H]1COCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641510590 362469897 /nfs/dbraw/zinc/46/98/97/362469897.db2.gz FBTLVXQCFAVRPU-NWDGAFQWSA-N 1 2 240.278 1.249 20 0 BDADLO C[C@@]1(O)CCCN(c2cc[nH+]cc2F)CC1 ZINC000641546159 362493220 /nfs/dbraw/zinc/49/32/20/362493220.db2.gz URBHSOYGRVBCJB-GFCCVEGCSA-N 1 2 224.279 1.962 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]cc2F)[C@H]1CO ZINC000641524000 362474318 /nfs/dbraw/zinc/47/43/18/362474318.db2.gz BZWUYDFKSMMTGK-KWQFWETISA-N 1 2 210.252 1.428 20 0 BDADLO CCOC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641535077 362483989 /nfs/dbraw/zinc/48/39/89/362483989.db2.gz LZAHMMIINAVDTQ-UHFFFAOYSA-N 1 2 224.304 1.801 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641536728 362486443 /nfs/dbraw/zinc/48/64/43/362486443.db2.gz GRUDDKKTZCSLKV-KOLCDFICSA-N 1 2 222.288 1.411 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000626000821 344661746 /nfs/dbraw/zinc/66/17/46/344661746.db2.gz ZRZXETZTMKRTGH-VIFPVBQESA-N 1 2 214.240 1.235 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000626000821 344661747 /nfs/dbraw/zinc/66/17/47/344661747.db2.gz ZRZXETZTMKRTGH-VIFPVBQESA-N 1 2 214.240 1.235 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626006223 344664538 /nfs/dbraw/zinc/66/45/38/344664538.db2.gz TVQYMHVWYXEPAX-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626006223 344664539 /nfs/dbraw/zinc/66/45/39/344664539.db2.gz TVQYMHVWYXEPAX-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626004649 344666297 /nfs/dbraw/zinc/66/62/97/344666297.db2.gz LQUVUVXMEUQCBE-LBPRGKRZSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cccnc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626004649 344666298 /nfs/dbraw/zinc/66/62/98/344666298.db2.gz LQUVUVXMEUQCBE-LBPRGKRZSA-N 1 2 238.306 1.950 20 0 BDADLO c1cn(CCCCNc2cccnn2)c[nH+]1 ZINC000052831333 344669611 /nfs/dbraw/zinc/66/96/11/344669611.db2.gz VHXKVJLFOCOMNV-UHFFFAOYSA-N 1 2 217.276 1.565 20 0 BDADLO CN(Cc1ccoc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493720728 530012093 /nfs/dbraw/zinc/01/20/93/530012093.db2.gz IWFCWJWUYKUGMC-NSCUHMNNSA-N 1 2 231.255 1.675 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018402 344674489 /nfs/dbraw/zinc/67/44/89/344674489.db2.gz DRJADCQGJBZBAX-CIUDSAMLSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@H](CO)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018402 344674491 /nfs/dbraw/zinc/67/44/91/344674491.db2.gz DRJADCQGJBZBAX-CIUDSAMLSA-N 1 2 241.253 1.266 20 0 BDADLO COc1cccc2c1C[N@H+](CC(=O)N1CCC1)C2 ZINC000626021485 344677003 /nfs/dbraw/zinc/67/70/03/344677003.db2.gz CJIUYRVPKOLQNP-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO COc1cccc2c1C[N@@H+](CC(=O)N1CCC1)C2 ZINC000626021485 344677006 /nfs/dbraw/zinc/67/70/06/344677006.db2.gz CJIUYRVPKOLQNP-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO CN(CC1CCC1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000562969051 323075361 /nfs/dbraw/zinc/07/53/61/323075361.db2.gz CZKRYUXNRGQREQ-SNVBAGLBSA-N 1 2 239.344 1.401 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)no1 ZINC000152827551 344697261 /nfs/dbraw/zinc/69/72/61/344697261.db2.gz HUGUREYWBUWFMJ-MNOVXSKESA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)no1 ZINC000152827551 344697264 /nfs/dbraw/zinc/69/72/64/344697264.db2.gz HUGUREYWBUWFMJ-MNOVXSKESA-N 1 2 237.303 1.379 20 0 BDADLO CCc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000152844347 344700392 /nfs/dbraw/zinc/70/03/92/344700392.db2.gz CEXJVMDZCBLHOH-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO C[C@@H](NC(=O)c1ccncc1)c1[nH+]ccn1C ZINC000082279019 344713670 /nfs/dbraw/zinc/71/36/70/344713670.db2.gz LJZZCYXNNNMMRY-SECBINFHSA-N 1 2 230.271 1.306 20 0 BDADLO COCc1nc(C[N@H+](C)C2CC2)cs1 ZINC000075637792 344782480 /nfs/dbraw/zinc/78/24/80/344782480.db2.gz QZBLJCCJOAETHF-UHFFFAOYSA-N 1 2 212.318 1.884 20 0 BDADLO COCc1nc(C[N@@H+](C)C2CC2)cs1 ZINC000075637792 344782482 /nfs/dbraw/zinc/78/24/82/344782482.db2.gz QZBLJCCJOAETHF-UHFFFAOYSA-N 1 2 212.318 1.884 20 0 BDADLO CC(C)OCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000075848757 344785525 /nfs/dbraw/zinc/78/55/25/344785525.db2.gz HDMYSYZORNILKA-LLVKDONJSA-N 1 2 239.319 1.203 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C)no2)CCS1 ZINC000076072889 344793877 /nfs/dbraw/zinc/79/38/77/344793877.db2.gz TYWWJEGPPXIBKK-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C)no2)CCS1 ZINC000076072889 344793880 /nfs/dbraw/zinc/79/38/80/344793880.db2.gz TYWWJEGPPXIBKK-SECBINFHSA-N 1 2 227.333 1.705 20 0 BDADLO CC(C)n1ccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000291499504 537861577 /nfs/dbraw/zinc/86/15/77/537861577.db2.gz RWDWIMJQMVNRRB-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CCS(C)(=O)=O ZINC000076304514 344800776 /nfs/dbraw/zinc/80/07/76/344800776.db2.gz NHSKKPMDUPNNCC-JTQLQIEISA-N 1 2 242.344 1.119 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CCS(C)(=O)=O ZINC000076304514 344800778 /nfs/dbraw/zinc/80/07/78/344800778.db2.gz NHSKKPMDUPNNCC-JTQLQIEISA-N 1 2 242.344 1.119 20 0 BDADLO CC[C@H]1COCCN1c1cc[nH+]c(C)n1 ZINC000078264714 344840637 /nfs/dbraw/zinc/84/06/37/344840637.db2.gz SVJLTNJYYHLXFH-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO CC[C@H]1COCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628146759 344826092 /nfs/dbraw/zinc/82/60/92/344826092.db2.gz ZKARLVKMGLUTQT-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000628152927 344841644 /nfs/dbraw/zinc/84/16/44/344841644.db2.gz STRYHJIMXJZYQR-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1ncc(C[N@H+]2CCOCC2(C)C)o1 ZINC000628152927 344841646 /nfs/dbraw/zinc/84/16/46/344841646.db2.gz STRYHJIMXJZYQR-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCCOC(F)F ZINC000338280213 537864816 /nfs/dbraw/zinc/86/48/16/537864816.db2.gz LLEVKEDKBJAJNC-UHFFFAOYSA-N 1 2 247.245 1.088 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCCOC(F)F ZINC000338280213 537864825 /nfs/dbraw/zinc/86/48/25/537864825.db2.gz LLEVKEDKBJAJNC-UHFFFAOYSA-N 1 2 247.245 1.088 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628155372 344847140 /nfs/dbraw/zinc/84/71/40/344847140.db2.gz XLVMSWKDGHDJOJ-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628155372 344847142 /nfs/dbraw/zinc/84/71/42/344847142.db2.gz XLVMSWKDGHDJOJ-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)o1 ZINC000628159423 344855093 /nfs/dbraw/zinc/85/50/93/344855093.db2.gz QFEAONJNDDIFOD-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ncc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)o1 ZINC000628159423 344855095 /nfs/dbraw/zinc/85/50/95/344855095.db2.gz QFEAONJNDDIFOD-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nc(N2CC[S@@](=O)[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000078294008 344842126 /nfs/dbraw/zinc/84/21/26/344842126.db2.gz VZPMIHNUAZOZSH-DRTKUVKGSA-N 1 2 239.344 1.131 20 0 BDADLO COC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000078296972 344843561 /nfs/dbraw/zinc/84/35/61/344843561.db2.gz DLFRGSALUDXOOO-SNVBAGLBSA-N 1 2 207.277 1.258 20 0 BDADLO Cc1c[nH]c(CN(CCO)Cc2cccnc2)[nH+]1 ZINC000628163483 344866171 /nfs/dbraw/zinc/86/61/71/344866171.db2.gz DSUGHVYDINECJI-UHFFFAOYSA-N 1 2 246.314 1.108 20 0 BDADLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)on1 ZINC000153504710 344891969 /nfs/dbraw/zinc/89/19/69/344891969.db2.gz NFMZDQRJTVYRNJ-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO Cc1nc(C[N@H+]2CCCOC[C@@H]2C)[nH]c1C ZINC000628180382 344918147 /nfs/dbraw/zinc/91/81/47/344918147.db2.gz NBXCKXRZMRJMHA-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOC[C@@H]2C)[nH]c1C ZINC000628180382 344918149 /nfs/dbraw/zinc/91/81/49/344918149.db2.gz NBXCKXRZMRJMHA-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN2CCCOC[C@@H]2C)[nH+]c1C ZINC000628180382 344918150 /nfs/dbraw/zinc/91/81/50/344918150.db2.gz NBXCKXRZMRJMHA-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000628180553 344918438 /nfs/dbraw/zinc/91/84/38/344918438.db2.gz UBXXXKLOTZWTLD-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000628180553 344918441 /nfs/dbraw/zinc/91/84/41/344918441.db2.gz UBXXXKLOTZWTLD-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO C[C@H](O)[C@H](C)SCc1ccc[nH+]c1N ZINC000235589619 344948333 /nfs/dbraw/zinc/94/83/33/344948333.db2.gz SDUPZAHYYAYYRX-YUMQZZPRSA-N 1 2 212.318 1.666 20 0 BDADLO COC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000044327128 345022639 /nfs/dbraw/zinc/02/26/39/345022639.db2.gz DZFXJPYKTCXAQW-SNVBAGLBSA-N 1 2 219.240 1.476 20 0 BDADLO CCOC(=O)c1nc(C[NH+]2CCCC2)cs1 ZINC000079798812 345034814 /nfs/dbraw/zinc/03/48/14/345034814.db2.gz MUHQHYIIVYZTEE-UHFFFAOYSA-N 1 2 240.328 1.916 20 0 BDADLO C[C@@H](CCCCO)Nc1cc[nH+]cc1F ZINC000641617028 362549799 /nfs/dbraw/zinc/54/97/99/362549799.db2.gz YDEZXTNURQIGBE-VIFPVBQESA-N 1 2 212.268 1.606 20 0 BDADLO Cc1ccc[nH+]c1CCNc1ncncc1C ZINC000641618943 362553097 /nfs/dbraw/zinc/55/30/97/362553097.db2.gz MUOPARROYNHAOD-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO CC(C)c1nc(N2CCn3cnnc3C2)cc[nH+]1 ZINC000408301135 345084354 /nfs/dbraw/zinc/08/43/54/345084354.db2.gz OKUPMOIYWOSWDD-UHFFFAOYSA-N 1 2 244.302 1.212 20 0 BDADLO COCC[C@@H](COC)Nc1cc(CO)cc[nH+]1 ZINC000641601721 362539188 /nfs/dbraw/zinc/53/91/88/362539188.db2.gz IHQZVJWGTNOLDF-NSHDSACASA-N 1 2 240.303 1.037 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641601017 362539503 /nfs/dbraw/zinc/53/95/03/362539503.db2.gz AVXCOTJTMPFBSB-BDAKNGLRSA-N 1 2 210.277 1.409 20 0 BDADLO OC1(CCCNc2cc[nH+]cc2F)CCC1 ZINC000641641510 362571231 /nfs/dbraw/zinc/57/12/31/362571231.db2.gz ZDSMNSQLHJMBID-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO CC[C@H](C)C[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641646545 362574013 /nfs/dbraw/zinc/57/40/13/362574013.db2.gz UREMSVKWFGBKOX-UWVGGRQHSA-N 1 2 226.295 1.852 20 0 BDADLO CCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155749899 345100813 /nfs/dbraw/zinc/10/08/13/345100813.db2.gz IBYWBEAJLNSJSC-LLVKDONJSA-N 1 2 235.331 1.752 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)c2ncnn21 ZINC000641656670 362581282 /nfs/dbraw/zinc/58/12/82/362581282.db2.gz KNPVPXUZKFBZPB-WPRPVWTQSA-N 1 2 245.286 1.283 20 0 BDADLO COC1CC(CCNc2cc(CO)cc[nH+]2)C1 ZINC000641656696 362581526 /nfs/dbraw/zinc/58/15/26/362581526.db2.gz LFBOTMYFIYFEEF-UHFFFAOYSA-N 1 2 236.315 1.223 20 0 BDADLO C[C@@H]1CC[C@H](CNc2cc[nH+]cc2F)O1 ZINC000641626928 362556606 /nfs/dbraw/zinc/55/66/06/362556606.db2.gz IBOPYXDSHMNQLJ-RKDXNWHRSA-N 1 2 210.252 1.622 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc[nH+]cc1F ZINC000641630215 362560005 /nfs/dbraw/zinc/56/00/05/362560005.db2.gz SYRXGWFLMSIKNT-MNOVXSKESA-N 1 2 210.252 1.622 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1csnn1 ZINC000641635244 362564919 /nfs/dbraw/zinc/56/49/19/362564919.db2.gz AFBBVNHSVKRZAB-SSDOTTSWSA-N 1 2 236.300 1.599 20 0 BDADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccon1 ZINC000634955293 345126689 /nfs/dbraw/zinc/12/66/89/345126689.db2.gz DFEHFIZUKNVUDP-QWHCGFSZSA-N 1 2 230.267 1.423 20 0 BDADLO c1cc(CNc2ccc(N3CCCC3)c[nH+]2)no1 ZINC000634954659 345130127 /nfs/dbraw/zinc/13/01/27/345130127.db2.gz KARLTPHUCFHZLR-UHFFFAOYSA-N 1 2 244.298 1.704 20 0 BDADLO Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156204235 345136283 /nfs/dbraw/zinc/13/62/83/345136283.db2.gz RBNTUYMZLJMOLR-YPMHNXCESA-N 1 2 236.363 1.264 20 0 BDADLO CCC1(CNc2cc(NC3CC3)nc[nH+]2)COC1 ZINC000579685687 345145581 /nfs/dbraw/zinc/14/55/81/345145581.db2.gz ZFUWIHJMLWQNFG-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO CCC1(CNc2cc(NC3CC3)[nH+]cn2)COC1 ZINC000579685687 345145583 /nfs/dbraw/zinc/14/55/83/345145583.db2.gz ZFUWIHJMLWQNFG-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO CC[C@H]([NH2+]Cc1ccon1)[C@H](O)C(F)(F)F ZINC000634973634 345152352 /nfs/dbraw/zinc/15/23/52/345152352.db2.gz GTIHDMHHIVWCMH-YUMQZZPRSA-N 1 2 238.209 1.466 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCO[C@H](C)C2)c(C)c[nH+]1 ZINC000561612930 345153832 /nfs/dbraw/zinc/15/38/32/345153832.db2.gz RWNWLTMRCDWWRJ-NEPJUHHUSA-N 1 2 248.326 1.874 20 0 BDADLO CC(C)C[C@H](C(=O)NC(C)C)n1cc[nH+]c1 ZINC000635055840 345230317 /nfs/dbraw/zinc/23/03/17/345230317.db2.gz XHAGQYADNAQQIL-LLVKDONJSA-N 1 2 223.320 1.995 20 0 BDADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635071794 345240191 /nfs/dbraw/zinc/24/01/91/345240191.db2.gz WXVBHQRQVFJWQP-SECBINFHSA-N 1 2 234.299 1.778 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)C2CC2)[nH+]1 ZINC000635124801 345252975 /nfs/dbraw/zinc/25/29/75/345252975.db2.gz BBCVPVXLPAQMJB-MRVPVSSYSA-N 1 2 221.304 1.429 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000635016322 345221078 /nfs/dbraw/zinc/22/10/78/345221078.db2.gz LXOFRMPHXJBERI-GHMZBOCLSA-N 1 2 249.314 1.452 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000635016322 345221083 /nfs/dbraw/zinc/22/10/83/345221083.db2.gz LXOFRMPHXJBERI-GHMZBOCLSA-N 1 2 249.314 1.452 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCSCC1 ZINC000635347786 345315733 /nfs/dbraw/zinc/31/57/33/345315733.db2.gz NMYRXYKNUCDSEW-RKDXNWHRSA-N 1 2 237.328 1.089 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCSCC1 ZINC000635347786 345315734 /nfs/dbraw/zinc/31/57/34/345315734.db2.gz NMYRXYKNUCDSEW-RKDXNWHRSA-N 1 2 237.328 1.089 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCSCC2)[nH+]1 ZINC000635347941 345315737 /nfs/dbraw/zinc/31/57/37/345315737.db2.gz QZWQSFRTUKUMAJ-UHFFFAOYSA-N 1 2 239.344 1.090 20 0 BDADLO O=C(NC(C1CC1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635189179 345267989 /nfs/dbraw/zinc/26/79/89/345267989.db2.gz PYDWZKOSGCMQRX-GHMZBOCLSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(NC(C1CC1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635189179 345267994 /nfs/dbraw/zinc/26/79/94/345267994.db2.gz PYDWZKOSGCMQRX-GHMZBOCLSA-N 1 2 245.326 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)NC(C)(C)C)[nH+]1 ZINC000635201239 345270151 /nfs/dbraw/zinc/27/01/51/345270151.db2.gz PQCMDITZSYALSD-UHFFFAOYSA-N 1 2 209.293 1.429 20 0 BDADLO CCn1ncnc1C[N@H+](C)CC(O)(CC)CC ZINC000626111426 345271706 /nfs/dbraw/zinc/27/17/06/345271706.db2.gz NXMMCHDKGSKUAK-UHFFFAOYSA-N 1 2 240.351 1.281 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CC(O)(CC)CC ZINC000626111426 345271708 /nfs/dbraw/zinc/27/17/08/345271708.db2.gz NXMMCHDKGSKUAK-UHFFFAOYSA-N 1 2 240.351 1.281 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccsc2)[nH+]1 ZINC000635295585 345297077 /nfs/dbraw/zinc/29/70/77/345297077.db2.gz PHUQIWPLOFUYOV-UHFFFAOYSA-N 1 2 249.339 1.893 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635421944 345357791 /nfs/dbraw/zinc/35/77/91/345357791.db2.gz ROTMFLCKBVNUFF-NXEZZACHSA-N 1 2 231.255 1.423 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635421944 345357795 /nfs/dbraw/zinc/35/77/95/345357795.db2.gz ROTMFLCKBVNUFF-NXEZZACHSA-N 1 2 231.255 1.423 20 0 BDADLO CC1(C)C[N@H+](CCC(F)(F)F)C[C@@H](CO)O1 ZINC000158725654 345370849 /nfs/dbraw/zinc/37/08/49/345370849.db2.gz HCWVGPUUYAOBDA-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[N@@H+](CCC(F)(F)F)C[C@@H](CO)O1 ZINC000158725654 345370851 /nfs/dbraw/zinc/37/08/51/345370851.db2.gz HCWVGPUUYAOBDA-QMMMGPOBSA-N 1 2 241.253 1.411 20 0 BDADLO C[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000080761287 345449491 /nfs/dbraw/zinc/44/94/91/345449491.db2.gz ZXHNMLCEPROSMW-UHFFFAOYSA-N 1 2 224.333 1.167 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC(=O)NC(C)C)[nH+]1 ZINC000080955434 345455456 /nfs/dbraw/zinc/45/54/56/345455456.db2.gz XIZGHFIOXDFGEG-UHFFFAOYSA-N 1 2 247.302 1.203 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC1CCCC1 ZINC000082268948 345500060 /nfs/dbraw/zinc/50/00/60/345500060.db2.gz SZOZKXXNMVXRRT-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccco1)C1CC1 ZINC000082277779 345501170 /nfs/dbraw/zinc/50/11/70/345501170.db2.gz UVPGOTZJGQARNP-NSHDSACASA-N 1 2 245.282 1.894 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H](CO)CC2CC2)c1 ZINC000641661524 362586629 /nfs/dbraw/zinc/58/66/29/362586629.db2.gz VSSRCEVWSREGOX-LBPRGKRZSA-N 1 2 236.315 1.394 20 0 BDADLO OC[C@H](CNc1cc[nH+]cc1F)CC1CC1 ZINC000641660914 362588011 /nfs/dbraw/zinc/58/80/11/362588011.db2.gz NLLUVQDSIPRCKB-JTQLQIEISA-N 1 2 224.279 1.463 20 0 BDADLO CCOc1cc(NC(C)(C)c2[nH]cc[nH+]2)ncn1 ZINC000641664164 362589598 /nfs/dbraw/zinc/58/95/98/362589598.db2.gz DTLHACSPULROCD-UHFFFAOYSA-N 1 2 247.302 1.946 20 0 BDADLO CC1CCC(O)(CNc2cc[nH+]cc2F)CC1 ZINC000641673018 362596347 /nfs/dbraw/zinc/59/63/47/362596347.db2.gz FPDPTVNOBQHXAU-UHFFFAOYSA-N 1 2 238.306 1.996 20 0 BDADLO COCCCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080970427 345456278 /nfs/dbraw/zinc/45/62/78/345456278.db2.gz SZGIXULDSQHGPT-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC(C)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000080975464 345457031 /nfs/dbraw/zinc/45/70/31/345457031.db2.gz KAAZVORXXFKKBA-LBPRGKRZSA-N 1 2 247.342 1.823 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@@H]2CCOC2)[nH+]1 ZINC000081011327 345460696 /nfs/dbraw/zinc/46/06/96/345460696.db2.gz IUZPNLQTKRAVJC-JTQLQIEISA-N 1 2 246.314 1.739 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC23CCC3)on1 ZINC000081545537 345477693 /nfs/dbraw/zinc/47/76/93/345477693.db2.gz GXWBLGNWDWFCSV-UHFFFAOYSA-N 1 2 235.287 1.550 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC23CCC3)on1 ZINC000081545537 345477694 /nfs/dbraw/zinc/47/76/94/345477694.db2.gz GXWBLGNWDWFCSV-UHFFFAOYSA-N 1 2 235.287 1.550 20 0 BDADLO COC(=O)c1cc(C[NH2+]CC(C)(F)F)c[nH]1 ZINC000378699269 345480957 /nfs/dbraw/zinc/48/09/57/345480957.db2.gz IEBKMHLGBRAGCB-UHFFFAOYSA-N 1 2 232.230 1.546 20 0 BDADLO C[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000085688651 345529023 /nfs/dbraw/zinc/52/90/23/345529023.db2.gz WZOHSLWJMXRBAB-QMMMGPOBSA-N 1 2 203.245 1.423 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccco1 ZINC000090885552 345578236 /nfs/dbraw/zinc/57/82/36/345578236.db2.gz CTHIDFGRYUCHCX-KOLCDFICSA-N 1 2 235.287 1.397 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)on1 ZINC000089153901 345549072 /nfs/dbraw/zinc/54/90/72/345549072.db2.gz DJJMGGRYWFAVQK-NWDGAFQWSA-N 1 2 238.287 1.054 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)on1 ZINC000089153901 345549076 /nfs/dbraw/zinc/54/90/76/345549076.db2.gz DJJMGGRYWFAVQK-NWDGAFQWSA-N 1 2 238.287 1.054 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)on1 ZINC000089153900 345549197 /nfs/dbraw/zinc/54/91/97/345549197.db2.gz DJJMGGRYWFAVQK-RYUDHWBXSA-N 1 2 238.287 1.054 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)on1 ZINC000089153900 345549198 /nfs/dbraw/zinc/54/91/98/345549198.db2.gz DJJMGGRYWFAVQK-RYUDHWBXSA-N 1 2 238.287 1.054 20 0 BDADLO CCCN(CC(=O)NC)c1[nH]c2ccccc2[nH+]1 ZINC000091484352 345594917 /nfs/dbraw/zinc/59/49/17/345594917.db2.gz ZCIZKCCYOWMNOM-UHFFFAOYSA-N 1 2 246.314 1.525 20 0 BDADLO CC(C)C[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091552366 345597599 /nfs/dbraw/zinc/59/75/99/345597599.db2.gz DIXRDCNFQSYZEV-SECBINFHSA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)C[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091552366 345597600 /nfs/dbraw/zinc/59/76/00/345597600.db2.gz DIXRDCNFQSYZEV-SECBINFHSA-N 1 2 224.308 1.109 20 0 BDADLO CC1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091581971 345599513 /nfs/dbraw/zinc/59/95/13/345599513.db2.gz OQSARIQISJMQLL-UHFFFAOYSA-N 1 2 224.308 1.110 20 0 BDADLO CC1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091581971 345599517 /nfs/dbraw/zinc/59/95/17/345599517.db2.gz OQSARIQISJMQLL-UHFFFAOYSA-N 1 2 224.308 1.110 20 0 BDADLO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091626552 345602031 /nfs/dbraw/zinc/60/20/31/345602031.db2.gz ZKJVJCJHSKOXNG-JTQLQIEISA-N 1 2 238.335 1.499 20 0 BDADLO CC(C)C[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091626552 345602033 /nfs/dbraw/zinc/60/20/33/345602033.db2.gz ZKJVJCJHSKOXNG-JTQLQIEISA-N 1 2 238.335 1.499 20 0 BDADLO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091633264 345602697 /nfs/dbraw/zinc/60/26/97/345602697.db2.gz QJIYINBVAULLCC-VIFPVBQESA-N 1 2 238.335 1.499 20 0 BDADLO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091633264 345602699 /nfs/dbraw/zinc/60/26/99/345602699.db2.gz QJIYINBVAULLCC-VIFPVBQESA-N 1 2 238.335 1.499 20 0 BDADLO CN(CC1=CCSC1)c1cc(CO)cc[nH+]1 ZINC000641672419 362596915 /nfs/dbraw/zinc/59/69/15/362596915.db2.gz QZGLFPKFPFWTEF-UHFFFAOYSA-N 1 2 236.340 1.683 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)n[nH]1 ZINC000093866289 345666741 /nfs/dbraw/zinc/66/67/41/345666741.db2.gz QHDUHNLUMCKYAM-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)n[nH]1 ZINC000093866289 345666743 /nfs/dbraw/zinc/66/67/43/345666743.db2.gz QHDUHNLUMCKYAM-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO O[C@@]12C[C@@H]1CN(c1cc[nH+]c3ccncc31)C2 ZINC000641711515 362621889 /nfs/dbraw/zinc/62/18/89/362621889.db2.gz DWGIIIMSYWJXTR-NOZJJQNGSA-N 1 2 227.267 1.201 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2occc2C)C1 ZINC000093888042 345667333 /nfs/dbraw/zinc/66/73/33/345667333.db2.gz LDJSITDJQNZGDF-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2occc2C)C1 ZINC000093888042 345667335 /nfs/dbraw/zinc/66/73/35/345667335.db2.gz LDJSITDJQNZGDF-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000092977874 345650639 /nfs/dbraw/zinc/65/06/39/345650639.db2.gz HVEMKWRHCZIHJU-PRHODGIISA-N 1 2 235.331 1.609 20 0 BDADLO CC(C)CC[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641678061 362599689 /nfs/dbraw/zinc/59/96/89/362599689.db2.gz PNOJWBUESAYBLA-LBPRGKRZSA-N 1 2 238.331 1.783 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]cc2F)[C@H](C)O1 ZINC000641681426 362603299 /nfs/dbraw/zinc/60/32/99/362603299.db2.gz HHYKVWROSISULR-FYBVGQRMSA-N 1 2 210.252 1.620 20 0 BDADLO CC1(Cn2cc[nH+]c2CN2CCOCC2)CCC1 ZINC000641725993 362642600 /nfs/dbraw/zinc/64/26/00/362642600.db2.gz MIUVAYHUHKEQDA-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](O)C2)cc[nH+]1 ZINC000093401819 345670007 /nfs/dbraw/zinc/67/00/07/345670007.db2.gz ZGJYZTLMPMAJPB-JOYOIKCWSA-N 1 2 249.314 1.625 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccn(C)c2)no1 ZINC000641733976 362660688 /nfs/dbraw/zinc/66/06/88/362660688.db2.gz WFQNAZPWPDFILA-UHFFFAOYSA-N 1 2 235.287 1.449 20 0 BDADLO Cc1nc(N(C)C)nc(NCc2ccsc2)[nH+]1 ZINC000222591394 345748735 /nfs/dbraw/zinc/74/87/35/345748735.db2.gz RVFLPJKNVBLZNZ-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1nc(NCc2ccsc2)nc(N(C)C)[nH+]1 ZINC000222591394 345748737 /nfs/dbraw/zinc/74/87/37/345748737.db2.gz RVFLPJKNVBLZNZ-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CC1(C)CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000135433810 345771554 /nfs/dbraw/zinc/77/15/54/345771554.db2.gz NZUBZKUVKSBGFI-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000381396702 345799225 /nfs/dbraw/zinc/79/92/25/345799225.db2.gz VVJPSVGMIFNSMC-LLVKDONJSA-N 1 2 246.358 1.993 20 0 BDADLO C[C@@H](NC(=O)c1ccc(F)cn1)c1[nH]cc[nH+]1 ZINC000140896887 345824562 /nfs/dbraw/zinc/82/45/62/345824562.db2.gz RUYIBHZBTXMRFM-SSDOTTSWSA-N 1 2 234.234 1.435 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC=CCC2)[nH+]1 ZINC000635583604 345879454 /nfs/dbraw/zinc/87/94/54/345879454.db2.gz SSEYPBHPNVHWJO-NSHDSACASA-N 1 2 233.315 1.740 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635628369 345902718 /nfs/dbraw/zinc/90/27/18/345902718.db2.gz JPAUUSUPTPZIBT-OPRDCNLKSA-N 1 2 219.288 1.524 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635628369 345902719 /nfs/dbraw/zinc/90/27/19/345902719.db2.gz JPAUUSUPTPZIBT-OPRDCNLKSA-N 1 2 219.288 1.524 20 0 BDADLO CSC1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280841782 345912755 /nfs/dbraw/zinc/91/27/55/345912755.db2.gz UEJOCPKEFVXLJK-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO CSC1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280841782 345912759 /nfs/dbraw/zinc/91/27/59/345912759.db2.gz UEJOCPKEFVXLJK-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C3CC3)CC2)[nH+]1 ZINC000635689523 345974242 /nfs/dbraw/zinc/97/42/42/345974242.db2.gz WWCVIBAUIRBZCY-UHFFFAOYSA-N 1 2 233.315 1.573 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000381481192 346032874 /nfs/dbraw/zinc/03/28/74/346032874.db2.gz DMUHAFWKSDFUMI-NXEZZACHSA-N 1 2 221.304 1.611 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CC=CCC1 ZINC000586769041 346075655 /nfs/dbraw/zinc/07/56/55/346075655.db2.gz LSRIFQMXRHIJJC-UHFFFAOYSA-N 1 2 222.244 1.223 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CC=CCC1 ZINC000586769041 346075658 /nfs/dbraw/zinc/07/56/58/346075658.db2.gz LSRIFQMXRHIJJC-UHFFFAOYSA-N 1 2 222.244 1.223 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635888097 346098527 /nfs/dbraw/zinc/09/85/27/346098527.db2.gz MEFOBLPVIFAYQZ-LNFKQOIKSA-N 1 2 231.299 1.428 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635888097 346098530 /nfs/dbraw/zinc/09/85/30/346098530.db2.gz MEFOBLPVIFAYQZ-LNFKQOIKSA-N 1 2 231.299 1.428 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC(F)C3)cc2[nH+]1 ZINC000635793269 346063998 /nfs/dbraw/zinc/06/39/98/346063998.db2.gz UZFVXHJMZAHAAM-UHFFFAOYSA-N 1 2 233.246 1.437 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)C[C@H](C)OC)[nH+]1 ZINC000635924669 346115355 /nfs/dbraw/zinc/11/53/55/346115355.db2.gz AITXQZIPESSJBG-VIFPVBQESA-N 1 2 239.319 1.008 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC[C@H](C)F)[nH+]1 ZINC000635967139 346126603 /nfs/dbraw/zinc/12/66/03/346126603.db2.gz XTFDSIBSJVDLJP-QMMMGPOBSA-N 1 2 227.283 1.379 20 0 BDADLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000635996066 346145157 /nfs/dbraw/zinc/14/51/57/346145157.db2.gz VLOFLEQEWUGJCR-IONNQARKSA-N 1 2 245.286 1.350 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)o1 ZINC000628241764 346200943 /nfs/dbraw/zinc/20/09/43/346200943.db2.gz GNLLDQPGZPICNO-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)o1 ZINC000628241764 346200945 /nfs/dbraw/zinc/20/09/45/346200945.db2.gz GNLLDQPGZPICNO-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)O[C@H](C)[C@H]2C)[nH+]1 ZINC000628244819 346209004 /nfs/dbraw/zinc/20/90/04/346209004.db2.gz WULLGPSRISYVCJ-HBNTYKKESA-N 1 2 223.320 1.716 20 0 BDADLO Cc1[nH]c(CN(C)Cc2nccn2C)[nH+]c1C ZINC000628234609 346187765 /nfs/dbraw/zinc/18/77/65/346187765.db2.gz HCMKZEVXPCHVAH-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1O)c1ccon1 ZINC000381511992 346218910 /nfs/dbraw/zinc/21/89/10/346218910.db2.gz RJLWSCAREURQOH-QMMMGPOBSA-N 1 2 219.244 1.626 20 0 BDADLO CCc1cc(N(C)C[C@H]2CCCOC2)nc[nH+]1 ZINC000603391908 349944860 /nfs/dbraw/zinc/94/48/60/349944860.db2.gz IDDPFQJROUFXIU-LLVKDONJSA-N 1 2 235.331 1.902 20 0 BDADLO Cc1cccc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000291004020 179012167 /nfs/dbraw/zinc/01/21/67/179012167.db2.gz ZEAMRHJBZWLTSI-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000152608815 346263726 /nfs/dbraw/zinc/26/37/26/346263726.db2.gz GGPOPSWOPDXTKN-RYUDHWBXSA-N 1 2 227.396 1.256 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000628271456 346282429 /nfs/dbraw/zinc/28/24/29/346282429.db2.gz BAXTVQUEQRUPAU-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000628271456 346282430 /nfs/dbraw/zinc/28/24/30/346282430.db2.gz BAXTVQUEQRUPAU-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO COC1(C)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628281155 346292755 /nfs/dbraw/zinc/29/27/55/346292755.db2.gz DKGJARPZKXGWCE-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1cccc(C)c1C[NH2+]Cc1ncn(C)n1 ZINC000091065851 179036889 /nfs/dbraw/zinc/03/68/89/179036889.db2.gz URWMLGDTEGFEFS-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccnc(C)c2)no1 ZINC000641758843 362690552 /nfs/dbraw/zinc/69/05/52/362690552.db2.gz TUFLIHHJPAYGDW-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@@H](C)C(F)F)c[nH]1 ZINC000603430103 349951860 /nfs/dbraw/zinc/95/18/60/349951860.db2.gz SHGGQRBBKHJGIX-LURJTMIESA-N 1 2 232.230 1.545 20 0 BDADLO Cc1cnn(C)c1CNc1cc(CO)cc[nH+]1 ZINC000641762843 362694256 /nfs/dbraw/zinc/69/42/56/362694256.db2.gz TZDNJYGSFLGVNX-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO Nc1cnccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000641755140 362683436 /nfs/dbraw/zinc/68/34/36/362683436.db2.gz WFCBHDZUGDIWNJ-SNVBAGLBSA-N 1 2 227.258 1.941 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@H](C)C(F)F)c[nH]1 ZINC000603430104 349952445 /nfs/dbraw/zinc/95/24/45/349952445.db2.gz SHGGQRBBKHJGIX-ZCFIWIBFSA-N 1 2 232.230 1.545 20 0 BDADLO O=C(NCCc1ccoc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636200966 346350764 /nfs/dbraw/zinc/35/07/64/346350764.db2.gz SCGDQDCLJJLSAB-GHMZBOCLSA-N 1 2 245.282 1.465 20 0 BDADLO O=C(NCCc1ccoc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636200966 346350766 /nfs/dbraw/zinc/35/07/66/346350766.db2.gz SCGDQDCLJJLSAB-GHMZBOCLSA-N 1 2 245.282 1.465 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2nnnn2C)c1 ZINC000354993424 179070276 /nfs/dbraw/zinc/07/02/76/179070276.db2.gz OTWRWGVWACAZMQ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2nnnn2C)c1 ZINC000354993424 179070280 /nfs/dbraw/zinc/07/02/80/179070280.db2.gz OTWRWGVWACAZMQ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000636314475 346390270 /nfs/dbraw/zinc/39/02/70/346390270.db2.gz ZJOXGLIVSBPGAV-ILAIQSSSSA-N 1 2 249.314 1.195 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000636314475 346390273 /nfs/dbraw/zinc/39/02/73/346390273.db2.gz ZJOXGLIVSBPGAV-ILAIQSSSSA-N 1 2 249.314 1.195 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(CF)CCC1 ZINC000574917965 346410761 /nfs/dbraw/zinc/41/07/61/346410761.db2.gz ABFJBGOISSSIID-UHFFFAOYSA-N 1 2 225.267 1.176 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679220676 488319210 /nfs/dbraw/zinc/31/92/10/488319210.db2.gz JCSJRAGACYCCSL-GHMZBOCLSA-N 1 2 230.327 1.439 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679220676 488319212 /nfs/dbraw/zinc/31/92/12/488319212.db2.gz JCSJRAGACYCCSL-GHMZBOCLSA-N 1 2 230.327 1.439 20 0 BDADLO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)C(F)F ZINC000641791745 362731880 /nfs/dbraw/zinc/73/18/80/362731880.db2.gz MSJLKSIZLRXLRE-HTQZYQBOSA-N 1 2 205.248 1.941 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)C(F)F)[nH+]c1C ZINC000641793772 362732969 /nfs/dbraw/zinc/73/29/69/362732969.db2.gz GLOAQINZRIWGGA-ZETCQYMHSA-N 1 2 203.236 1.770 20 0 BDADLO C[C@H]1OCC[C@]1(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000577089629 365811050 /nfs/dbraw/zinc/81/10/50/365811050.db2.gz AYSFLCQULLMIEA-SKDRFNHKSA-N 1 2 237.303 1.026 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000577090995 365812017 /nfs/dbraw/zinc/81/20/17/365812017.db2.gz YAHGMWUFQJNLSM-SNVBAGLBSA-N 1 2 221.304 1.220 20 0 BDADLO CC[N@H+](Cc1noc(COC)n1)C(C)C ZINC000182410586 347094606 /nfs/dbraw/zinc/09/46/06/347094606.db2.gz BJYAVLRPYPSASU-UHFFFAOYSA-N 1 2 213.281 1.446 20 0 BDADLO CC[N@@H+](Cc1noc(COC)n1)C(C)C ZINC000182410586 347094611 /nfs/dbraw/zinc/09/46/11/347094611.db2.gz BJYAVLRPYPSASU-UHFFFAOYSA-N 1 2 213.281 1.446 20 0 BDADLO Cn1cnc2cc(CNc3c[nH]c[nH+]3)ccc21 ZINC000574968092 346475281 /nfs/dbraw/zinc/47/52/81/346475281.db2.gz NCLGSKDDWFOHLN-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1OC2CCC1CC2 ZINC000636404641 346477380 /nfs/dbraw/zinc/47/73/80/346477380.db2.gz UAPWJOAFFNHLON-OIKLOGQESA-N 1 2 249.314 1.673 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1OC2CCC1CC2 ZINC000636404641 346477382 /nfs/dbraw/zinc/47/73/82/346477382.db2.gz UAPWJOAFFNHLON-OIKLOGQESA-N 1 2 249.314 1.673 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc(CO)c1 ZINC000380033854 365816484 /nfs/dbraw/zinc/81/64/84/365816484.db2.gz PWCHASXQNSKZQJ-UHFFFAOYSA-N 1 2 231.255 1.014 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]cc2C)on1 ZINC000580082332 346515322 /nfs/dbraw/zinc/51/53/22/346515322.db2.gz YCTYAPYZIFAJDS-UHFFFAOYSA-N 1 2 231.255 1.290 20 0 BDADLO C[C@H]1C[N@H+](CCOCC2CCC2)CC[S@@]1=O ZINC000419207544 192103969 /nfs/dbraw/zinc/10/39/69/192103969.db2.gz PDINLHOYDAGVOE-ZBEGNZNMSA-N 1 2 245.388 1.256 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC2CCC2)CC[S@@]1=O ZINC000419207544 192103971 /nfs/dbraw/zinc/10/39/71/192103971.db2.gz PDINLHOYDAGVOE-ZBEGNZNMSA-N 1 2 245.388 1.256 20 0 BDADLO CC1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000580141415 346550631 /nfs/dbraw/zinc/55/06/31/346550631.db2.gz QWBYLAFWTJLKEY-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1CC1(C)C ZINC000621044166 346588302 /nfs/dbraw/zinc/58/83/02/346588302.db2.gz OYSLETHTNAENIB-JTQLQIEISA-N 1 2 235.331 1.765 20 0 BDADLO Cn1c[nH+]cc1COC1CCC(=O)CC1 ZINC000164175520 346594365 /nfs/dbraw/zinc/59/43/65/346594365.db2.gz MQTGZIHYTKNUOQ-UHFFFAOYSA-N 1 2 208.261 1.448 20 0 BDADLO COCC1(CC(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000401340575 346624992 /nfs/dbraw/zinc/62/49/92/346624992.db2.gz RLFHEYADQABTBE-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000010809219 179131070 /nfs/dbraw/zinc/13/10/70/179131070.db2.gz VZZTXTXEYXFXQH-UHFFFAOYSA-N 1 2 215.256 1.830 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC1CCC1)C(C)C ZINC000390541620 259393071 /nfs/dbraw/zinc/39/30/71/259393071.db2.gz LQQDAZZCODNAFG-NSHDSACASA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000184563207 179145013 /nfs/dbraw/zinc/14/50/13/179145013.db2.gz HKGZMUBCPNEHLZ-UHFFFAOYSA-N 1 2 249.358 1.913 20 0 BDADLO Cc1cccc(NCC[N@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000184563207 179145016 /nfs/dbraw/zinc/14/50/16/179145016.db2.gz HKGZMUBCPNEHLZ-UHFFFAOYSA-N 1 2 249.358 1.913 20 0 BDADLO O=C(C1CCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005932 346761979 /nfs/dbraw/zinc/76/19/79/346761979.db2.gz OTEMUJLKHAOEBV-UHFFFAOYSA-N 1 2 232.283 1.471 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)no1 ZINC000580657070 365852717 /nfs/dbraw/zinc/85/27/17/365852717.db2.gz IRFYQGMWLFVGDI-CNUIFLNQSA-N 1 2 225.292 1.188 20 0 BDADLO CCc1coc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC000621994851 370651000 /nfs/dbraw/zinc/65/10/00/370651000.db2.gz KIMNMRPWFMZUFD-UHFFFAOYSA-N 1 2 248.286 1.876 20 0 BDADLO CCc1coc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n1 ZINC000621994851 370651007 /nfs/dbraw/zinc/65/10/07/370651007.db2.gz KIMNMRPWFMZUFD-UHFFFAOYSA-N 1 2 248.286 1.876 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000335244072 347113679 /nfs/dbraw/zinc/11/36/79/347113679.db2.gz QEYUXGMYXIERCO-NSHDSACASA-N 1 2 236.315 1.755 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000335244072 347113681 /nfs/dbraw/zinc/11/36/81/347113681.db2.gz QEYUXGMYXIERCO-NSHDSACASA-N 1 2 236.315 1.755 20 0 BDADLO Cc1cccc(OCC[N@@H+](C)[C@H]2CCOC2=O)c1 ZINC000298109708 179166057 /nfs/dbraw/zinc/16/60/57/179166057.db2.gz XVYCABCLBFWMPQ-ZDUSSCGKSA-N 1 2 249.310 1.621 20 0 BDADLO Cc1cccc(OCC[N@H+](C)[C@H]2CCOC2=O)c1 ZINC000298109708 179166061 /nfs/dbraw/zinc/16/60/61/179166061.db2.gz XVYCABCLBFWMPQ-ZDUSSCGKSA-N 1 2 249.310 1.621 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000641827410 362775719 /nfs/dbraw/zinc/77/57/19/362775719.db2.gz BJIHBDJBGHEAAX-BBBLOLIVSA-N 1 2 234.303 1.693 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580328235 347162207 /nfs/dbraw/zinc/16/22/07/347162207.db2.gz OWFWTRNNTYHYDR-GXSJLCMTSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580328235 347162210 /nfs/dbraw/zinc/16/22/10/347162210.db2.gz OWFWTRNNTYHYDR-GXSJLCMTSA-N 1 2 221.304 1.599 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2cnn(C)c2C)[nH]1 ZINC000184686596 347174405 /nfs/dbraw/zinc/17/44/05/347174405.db2.gz HCAIEUQFZGRZFO-MRVPVSSYSA-N 1 2 248.334 1.260 20 0 BDADLO COC[C@@H]1CCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628294058 347178799 /nfs/dbraw/zinc/17/87/99/347178799.db2.gz DRLIHWJUPLXRCD-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628294058 347178800 /nfs/dbraw/zinc/17/88/00/347178800.db2.gz DRLIHWJUPLXRCD-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628294058 347178801 /nfs/dbraw/zinc/17/88/01/347178801.db2.gz DRLIHWJUPLXRCD-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000382110592 347185665 /nfs/dbraw/zinc/18/56/65/347185665.db2.gz DSODNJVYQAQNCC-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO CCN1CC[N@H+](Cc2cccnc2)C(C)(C)C1=O ZINC000186535106 347236401 /nfs/dbraw/zinc/23/64/01/347236401.db2.gz ZAFAXHLNUMUAMD-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CCN1CC[N@@H+](Cc2cccnc2)C(C)(C)C1=O ZINC000186535106 347236402 /nfs/dbraw/zinc/23/64/02/347236402.db2.gz ZAFAXHLNUMUAMD-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO Cc1c[nH]c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)[nH+]1 ZINC000628296831 347243728 /nfs/dbraw/zinc/24/37/28/347243728.db2.gz AHELPYPISDQXBN-ZIAGYGMSSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1ncc(C[N@@H+](C(C)C)C2COC2)o1 ZINC000628297196 347246437 /nfs/dbraw/zinc/24/64/37/347246437.db2.gz NGWRUGZVQZQVLG-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@H+](C(C)C)C2COC2)o1 ZINC000628297196 347246441 /nfs/dbraw/zinc/24/64/41/347246441.db2.gz NGWRUGZVQZQVLG-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1[nH]c(CN(C)CC(C)(C)CO)[nH+]c1C ZINC000628298237 347277542 /nfs/dbraw/zinc/27/75/42/347277542.db2.gz YLEZMIMZJNQHTR-UHFFFAOYSA-N 1 2 225.336 1.477 20 0 BDADLO CCc1nc(C[N@@H+]2CCSC[C@H](C)C2)no1 ZINC000190474264 347331240 /nfs/dbraw/zinc/33/12/40/347331240.db2.gz WRFGUVFOANUDMG-SECBINFHSA-N 1 2 241.360 1.817 20 0 BDADLO CCc1nc(C[N@H+]2CCSC[C@H](C)C2)no1 ZINC000190474264 347331242 /nfs/dbraw/zinc/33/12/42/347331242.db2.gz WRFGUVFOANUDMG-SECBINFHSA-N 1 2 241.360 1.817 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000679360922 488346479 /nfs/dbraw/zinc/34/64/79/488346479.db2.gz XGURTPLAYSLUJC-NSHDSACASA-N 1 2 209.293 1.267 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000679360922 488346483 /nfs/dbraw/zinc/34/64/83/488346483.db2.gz XGURTPLAYSLUJC-NSHDSACASA-N 1 2 209.293 1.267 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616921207 347450033 /nfs/dbraw/zinc/45/00/33/347450033.db2.gz JICJBUJKSZHNAE-UHFFFAOYSA-N 1 2 235.243 1.284 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616921207 347450036 /nfs/dbraw/zinc/45/00/36/347450036.db2.gz JICJBUJKSZHNAE-UHFFFAOYSA-N 1 2 235.243 1.284 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)C(C)C)cn21 ZINC000068569072 179229837 /nfs/dbraw/zinc/22/98/37/179229837.db2.gz KXDAXDNGZARHEK-UHFFFAOYSA-N 1 2 231.299 1.915 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000616923710 347454507 /nfs/dbraw/zinc/45/45/07/347454507.db2.gz RGRFEHIDCGOWFE-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000616923710 347454511 /nfs/dbraw/zinc/45/45/11/347454511.db2.gz RGRFEHIDCGOWFE-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC12CCCC2 ZINC000616925795 347457322 /nfs/dbraw/zinc/45/73/22/347457322.db2.gz QIGSTUXXWTZAEX-LLVKDONJSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC12CCCC2 ZINC000616925795 347457324 /nfs/dbraw/zinc/45/73/24/347457324.db2.gz QIGSTUXXWTZAEX-LLVKDONJSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(CCF)CC1 ZINC000616929169 347496597 /nfs/dbraw/zinc/49/65/97/347496597.db2.gz VXQLHMLZACAQAR-UHFFFAOYSA-N 1 2 225.267 1.508 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(CCF)CC1 ZINC000616929169 347496599 /nfs/dbraw/zinc/49/65/99/347496599.db2.gz VXQLHMLZACAQAR-UHFFFAOYSA-N 1 2 225.267 1.508 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC[C@@H](C)O)C(C)(C)C ZINC000590706183 347498213 /nfs/dbraw/zinc/49/82/13/347498213.db2.gz MXNYBLYWNBDFLU-ZJUUUORDSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC(C)(F)F ZINC000571615535 323149446 /nfs/dbraw/zinc/14/94/46/323149446.db2.gz ZNNFMFARGZQJHS-UHFFFAOYSA-N 1 2 229.230 1.589 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)OC(C)(C)C ZINC000577223357 365889876 /nfs/dbraw/zinc/88/98/76/365889876.db2.gz ANYXLEBVHCFCDD-GHMZBOCLSA-N 1 2 245.363 1.715 20 0 BDADLO CC[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](C)[S@@]1=O ZINC000571567454 323148668 /nfs/dbraw/zinc/14/86/68/323148668.db2.gz LKWMNMZMYLNOGU-WMFXKJRFSA-N 1 2 233.352 1.720 20 0 BDADLO CC[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](C)[S@@]1=O ZINC000571567454 323148669 /nfs/dbraw/zinc/14/86/69/323148669.db2.gz LKWMNMZMYLNOGU-WMFXKJRFSA-N 1 2 233.352 1.720 20 0 BDADLO Nc1nc(N[C@@H]2CC[C@H](F)C2)[nH+]c2ccccc12 ZINC000577242326 365896984 /nfs/dbraw/zinc/89/69/84/365896984.db2.gz BHERHIKEEDXTBT-DTWKUNHWSA-N 1 2 246.289 1.767 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1ncccn1 ZINC000577231121 365893699 /nfs/dbraw/zinc/89/36/99/365893699.db2.gz CTDSBYWQTPBQBN-UHFFFAOYSA-N 1 2 214.272 1.470 20 0 BDADLO CCCc1cc(C(=O)NCc2[nH+]ccn2C)[nH]n1 ZINC000590737289 347501390 /nfs/dbraw/zinc/50/13/90/347501390.db2.gz LJZINCCURLLPIO-UHFFFAOYSA-N 1 2 247.302 1.026 20 0 BDADLO CC(C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590845212 347572989 /nfs/dbraw/zinc/57/29/89/347572989.db2.gz GDPSUSMAUPCJIB-LLVKDONJSA-N 1 2 236.319 1.638 20 0 BDADLO CC(C)CCN(C)C(=O)NCc1[nH+]ccn1C ZINC000590871842 347578063 /nfs/dbraw/zinc/57/80/63/347578063.db2.gz LVMFCPQWVANRGF-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO COC(=O)C[N@H+](CCOCC1CCC1)C1CC1 ZINC000419229858 192107756 /nfs/dbraw/zinc/10/77/56/192107756.db2.gz IJTISAFUSBDNAM-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)C[N@@H+](CCOCC1CCC1)C1CC1 ZINC000419229858 192107758 /nfs/dbraw/zinc/10/77/58/192107758.db2.gz IJTISAFUSBDNAM-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2COC(C)(C)C2)C1 ZINC000617046264 347629337 /nfs/dbraw/zinc/62/93/37/347629337.db2.gz HDXUTFAGEWLWOL-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccc(CO)o2)cnn1C ZINC000580694762 365915082 /nfs/dbraw/zinc/91/50/82/365915082.db2.gz CVKUOGADBXOMJT-UHFFFAOYSA-N 1 2 249.314 1.446 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccc(CO)o2)cnn1C ZINC000580694762 365915092 /nfs/dbraw/zinc/91/50/92/365915092.db2.gz CVKUOGADBXOMJT-UHFFFAOYSA-N 1 2 249.314 1.446 20 0 BDADLO CC[N@H+](CCSC)Cc1nnnn1C1CC1 ZINC000592197370 347750380 /nfs/dbraw/zinc/75/03/80/347750380.db2.gz BDMJEIPTQDNHAP-UHFFFAOYSA-N 1 2 241.364 1.193 20 0 BDADLO CC[N@@H+](CCSC)Cc1nnnn1C1CC1 ZINC000592197370 347750381 /nfs/dbraw/zinc/75/03/81/347750381.db2.gz BDMJEIPTQDNHAP-UHFFFAOYSA-N 1 2 241.364 1.193 20 0 BDADLO O=C1CCCN1CCC[N@@H+](CC(F)F)C1CC1 ZINC000592813935 347818381 /nfs/dbraw/zinc/81/83/81/347818381.db2.gz KGRPMMAXXSRLNV-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO O=C1CCCN1CCC[N@H+](CC(F)F)C1CC1 ZINC000592813935 347818382 /nfs/dbraw/zinc/81/83/82/347818382.db2.gz KGRPMMAXXSRLNV-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO Cc1ccccc1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336374197 179302390 /nfs/dbraw/zinc/30/23/90/179302390.db2.gz IYZBFIAOJDCHNR-JTQLQIEISA-N 1 2 240.253 1.931 20 0 BDADLO FC(F)O[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000679680612 488364276 /nfs/dbraw/zinc/36/42/76/488364276.db2.gz KBYQKLUFHXFRIX-VIFPVBQESA-N 1 2 232.230 1.878 20 0 BDADLO FC(F)O[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000679680612 488364277 /nfs/dbraw/zinc/36/42/77/488364277.db2.gz KBYQKLUFHXFRIX-VIFPVBQESA-N 1 2 232.230 1.878 20 0 BDADLO CSC[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000593736688 347939446 /nfs/dbraw/zinc/93/94/46/347939446.db2.gz SCVMUAUGMUMWCG-QMMMGPOBSA-N 1 2 241.360 1.760 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577413115 365949315 /nfs/dbraw/zinc/94/93/15/365949315.db2.gz QVUOQSINQZYGEA-JQWIXIFHSA-N 1 2 235.331 1.845 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577413115 365949321 /nfs/dbraw/zinc/94/93/21/365949321.db2.gz QVUOQSINQZYGEA-JQWIXIFHSA-N 1 2 235.331 1.845 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[S@](=O)[C@H](C)C1 ZINC000577412436 365949367 /nfs/dbraw/zinc/94/93/67/365949367.db2.gz QOHPIZVXZDGWCF-ABKXIKBNSA-N 1 2 239.344 1.051 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000577413117 365950432 /nfs/dbraw/zinc/95/04/32/365950432.db2.gz QVUOQSINQZYGEA-ZYHUDNBSSA-N 1 2 235.331 1.845 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000577413117 365950436 /nfs/dbraw/zinc/95/04/36/365950436.db2.gz QVUOQSINQZYGEA-ZYHUDNBSSA-N 1 2 235.331 1.845 20 0 BDADLO CCOC(=O)C[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000594045595 347988276 /nfs/dbraw/zinc/98/82/76/347988276.db2.gz ZWJNZWKEEGVGMU-GHMZBOCLSA-N 1 2 229.320 1.487 20 0 BDADLO CSCCN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594313317 348029269 /nfs/dbraw/zinc/02/92/69/348029269.db2.gz OAMOLYDSJCZUNW-UHFFFAOYSA-N 1 2 230.377 1.150 20 0 BDADLO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000531300569 348026420 /nfs/dbraw/zinc/02/64/20/348026420.db2.gz YFFYENAOOKDOOS-ITGUQSILSA-N 1 2 245.326 1.703 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CCCSC ZINC000594584914 348076685 /nfs/dbraw/zinc/07/66/85/348076685.db2.gz JYFYXNOPHNMRIJ-UHFFFAOYSA-N 1 2 241.360 1.983 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)C(=O)OC ZINC000594710216 348104339 /nfs/dbraw/zinc/10/43/39/348104339.db2.gz JLZVVNWMTSDNNK-GHMZBOCLSA-N 1 2 236.315 1.726 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccoc1)C1CC1 ZINC000594725396 348108037 /nfs/dbraw/zinc/10/80/37/348108037.db2.gz KDTXCCWHIKFXCB-LLVKDONJSA-N 1 2 223.272 1.363 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249340371 535070259 /nfs/dbraw/zinc/07/02/59/535070259.db2.gz SJORQCJJXFHFHJ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249340371 535070265 /nfs/dbraw/zinc/07/02/65/535070265.db2.gz SJORQCJJXFHFHJ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](OC)C1CCCC1 ZINC000595299264 348217563 /nfs/dbraw/zinc/21/75/63/348217563.db2.gz YIVUQJUHKCBCTK-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000595299264 348217565 /nfs/dbraw/zinc/21/75/65/348217565.db2.gz YIVUQJUHKCBCTK-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](OC)C1CCCC1 ZINC000595299265 348217697 /nfs/dbraw/zinc/21/76/97/348217697.db2.gz YIVUQJUHKCBCTK-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000595299265 348217701 /nfs/dbraw/zinc/21/77/01/348217701.db2.gz YIVUQJUHKCBCTK-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1cccnc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305778278 179370330 /nfs/dbraw/zinc/37/03/30/179370330.db2.gz QOQBSNZCHVQINR-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cccnc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305778278 179370332 /nfs/dbraw/zinc/37/03/32/179370332.db2.gz QOQBSNZCHVQINR-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccc[nH+]c1CCNc1cnccn1 ZINC000295843334 179370390 /nfs/dbraw/zinc/37/03/90/179370390.db2.gz XAMKIKINIGYFRU-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO COC[C@](C)([NH2+]CCCC1CCC1)C(=O)OC ZINC000595408072 348240980 /nfs/dbraw/zinc/24/09/80/348240980.db2.gz LJHYDTOKDXKADV-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ncccc1C ZINC000289570793 179382857 /nfs/dbraw/zinc/38/28/57/179382857.db2.gz RUWKSSPGMMHZIH-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ncccc1C ZINC000289570793 179382860 /nfs/dbraw/zinc/38/28/60/179382860.db2.gz RUWKSSPGMMHZIH-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cccnc1C[NH2+]Cc1ccn(C)n1 ZINC000113310722 179382969 /nfs/dbraw/zinc/38/29/69/179382969.db2.gz YTOBGFIWTKXJPZ-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](OC)C1CCC1)C1CC1 ZINC000595452380 348254004 /nfs/dbraw/zinc/25/40/04/348254004.db2.gz JWWFALCWRFLJRT-VXGBXAGGSA-N 1 2 241.331 1.343 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC=C(C)C ZINC000595466443 348258626 /nfs/dbraw/zinc/25/86/26/348258626.db2.gz LHOGFMFRPXLNLJ-QWRGUYRKSA-N 1 2 229.295 1.928 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC=C(C)C ZINC000595466443 348258629 /nfs/dbraw/zinc/25/86/29/348258629.db2.gz LHOGFMFRPXLNLJ-QWRGUYRKSA-N 1 2 229.295 1.928 20 0 BDADLO CC1(C)CC[N@H+](Cc2cn[nH]c2)CC[S@]1=O ZINC000595518540 348260843 /nfs/dbraw/zinc/26/08/43/348260843.db2.gz BHIHIBBPOSHTEA-MRXNPFEDSA-N 1 2 241.360 1.143 20 0 BDADLO CC1(C)CC[N@@H+](Cc2cn[nH]c2)CC[S@]1=O ZINC000595518540 348260848 /nfs/dbraw/zinc/26/08/48/348260848.db2.gz BHIHIBBPOSHTEA-MRXNPFEDSA-N 1 2 241.360 1.143 20 0 BDADLO Cc1cccnc1CN1CCc2c([nH+]cn2C)C1 ZINC000378381837 179377053 /nfs/dbraw/zinc/37/70/53/179377053.db2.gz LDBCDFWWHYOBSI-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccnc1C[NH2+]Cc1cocn1 ZINC000336658990 179382628 /nfs/dbraw/zinc/38/26/28/179382628.db2.gz BHHNFPFUHPCLLB-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO COC(=O)[C@H](NCc1cn(C)c[nH+]1)C(C)(C)C ZINC000595391863 348236807 /nfs/dbraw/zinc/23/68/07/348236807.db2.gz GMEKUPOHXDTQRK-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCCC(C)(C)C ZINC000595531712 348274028 /nfs/dbraw/zinc/27/40/28/348274028.db2.gz JGIPVLKIBCFLDQ-GFCCVEGCSA-N 1 2 231.336 1.326 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616796 348290095 /nfs/dbraw/zinc/29/00/95/348290095.db2.gz CRTGHBYFQUUYTF-SKDRFNHKSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616796 348290097 /nfs/dbraw/zinc/29/00/97/348290097.db2.gz CRTGHBYFQUUYTF-SKDRFNHKSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419281391 192122400 /nfs/dbraw/zinc/12/24/00/192122400.db2.gz GQPWUUWULZMLIM-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCOCC(C)C ZINC000595680753 348312457 /nfs/dbraw/zinc/31/24/57/348312457.db2.gz UHCWNYPRUFLVOK-UHFFFAOYSA-N 1 2 241.331 1.296 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCOCC(C)C ZINC000595680753 348312460 /nfs/dbraw/zinc/31/24/60/348312460.db2.gz UHCWNYPRUFLVOK-UHFFFAOYSA-N 1 2 241.331 1.296 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810997 348350756 /nfs/dbraw/zinc/35/07/56/348350756.db2.gz RACALPPIFXSFHX-DRZSPHRISA-N 1 2 246.310 1.638 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810997 348350759 /nfs/dbraw/zinc/35/07/59/348350759.db2.gz RACALPPIFXSFHX-DRZSPHRISA-N 1 2 246.310 1.638 20 0 BDADLO CC[NH2+]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595896657 348382041 /nfs/dbraw/zinc/38/20/41/348382041.db2.gz SYICWRQZSLFPFZ-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccncc1 ZINC000595860581 348383082 /nfs/dbraw/zinc/38/30/82/348383082.db2.gz UBPGBUHKGHUTDP-UHFFFAOYSA-N 1 2 246.310 1.609 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccncc1 ZINC000595860581 348383083 /nfs/dbraw/zinc/38/30/83/348383083.db2.gz UBPGBUHKGHUTDP-UHFFFAOYSA-N 1 2 246.310 1.609 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)C)C(=O)OC ZINC000419347915 192125412 /nfs/dbraw/zinc/12/54/12/192125412.db2.gz KWGVSRHVYFBPLR-GMTAPVOTSA-N 1 2 213.321 1.962 20 0 BDADLO CCCN(C)c1cc(CC(=O)OC)cc[nH+]1 ZINC000596097606 348445492 /nfs/dbraw/zinc/44/54/92/348445492.db2.gz ZRAHOYXONLWYLI-UHFFFAOYSA-N 1 2 222.288 1.643 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCC2CC2)c1 ZINC000596138410 348448911 /nfs/dbraw/zinc/44/89/11/348448911.db2.gz KABUKUITYIPTHM-UHFFFAOYSA-N 1 2 234.299 1.431 20 0 BDADLO CC/C=C/CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596253871 348475633 /nfs/dbraw/zinc/47/56/33/348475633.db2.gz XSPNYWACPVUKDF-SNAWJCMRSA-N 1 2 234.299 1.597 20 0 BDADLO CCc1noc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000075894274 349999400 /nfs/dbraw/zinc/99/94/00/349999400.db2.gz OOMXUZCJSAAEJO-DTORHVGOSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000075894274 349999403 /nfs/dbraw/zinc/99/94/03/349999403.db2.gz OOMXUZCJSAAEJO-DTORHVGOSA-N 1 2 241.360 1.958 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNc1cnccn1)CCC2 ZINC000372736656 179565829 /nfs/dbraw/zinc/56/58/29/179565829.db2.gz CJFKQDCOUZILRY-NSHDSACASA-N 1 2 243.314 1.393 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)CSCCF ZINC000597113883 348662591 /nfs/dbraw/zinc/66/25/91/348662591.db2.gz CIQPWDJCZNZWNY-SFYZADRCSA-N 1 2 223.313 1.229 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)CSCCF ZINC000597116028 348663079 /nfs/dbraw/zinc/66/30/79/348663079.db2.gz CIQPWDJCZNZWNY-HTQZYQBOSA-N 1 2 223.313 1.229 20 0 BDADLO COC[C@@H](C)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000597212706 348680744 /nfs/dbraw/zinc/68/07/44/348680744.db2.gz AHCMFZOWYMBVOU-ONGXEEELSA-N 1 2 235.299 1.150 20 0 BDADLO COCC[N@H+](Cc1nc(C(C)C)no1)C1CC1 ZINC000048023657 348690435 /nfs/dbraw/zinc/69/04/35/348690435.db2.gz HOWGNFHVRXFLHM-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC[N@@H+](Cc1nc(C(C)C)no1)C1CC1 ZINC000048023657 348690438 /nfs/dbraw/zinc/69/04/38/348690438.db2.gz HOWGNFHVRXFLHM-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO CS[C@@H](C)CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597859128 348829446 /nfs/dbraw/zinc/82/94/46/348829446.db2.gz ZOWSRHPHCUSFIL-VIFPVBQESA-N 1 2 241.360 1.900 20 0 BDADLO CS[C@@H](C)CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597859128 348829448 /nfs/dbraw/zinc/82/94/48/348829448.db2.gz ZOWSRHPHCUSFIL-VIFPVBQESA-N 1 2 241.360 1.900 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCc1ccoc1 ZINC000618476678 348975088 /nfs/dbraw/zinc/97/50/88/348975088.db2.gz UBHDZNJIIOJJSV-UHFFFAOYSA-N 1 2 247.298 1.615 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(C)c1 ZINC000598590656 348997714 /nfs/dbraw/zinc/99/77/14/348997714.db2.gz SGHKIMSKICNROF-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(C)c1 ZINC000598590656 348997717 /nfs/dbraw/zinc/99/77/17/348997717.db2.gz SGHKIMSKICNROF-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)C[N@H+](Cc1ccnc(C)c1)C(C)C ZINC000598593433 348998250 /nfs/dbraw/zinc/99/82/50/348998250.db2.gz AIWDRRXGSWFFCW-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccnc(C)c1)C(C)C ZINC000598593433 348998253 /nfs/dbraw/zinc/99/82/53/348998253.db2.gz AIWDRRXGSWFFCW-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCOC ZINC000053257606 349055800 /nfs/dbraw/zinc/05/58/00/349055800.db2.gz TWBQHTSAQKVGSB-SNVBAGLBSA-N 1 2 217.309 1.200 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OCC ZINC000401986031 349038739 /nfs/dbraw/zinc/03/87/39/349038739.db2.gz BTDIQBYLZVYHGO-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO CSCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598942888 349062994 /nfs/dbraw/zinc/06/29/94/349062994.db2.gz CGRAPDYFROYFAT-SECBINFHSA-N 1 2 239.344 1.067 20 0 BDADLO CSCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946555 349063864 /nfs/dbraw/zinc/06/38/64/349063864.db2.gz GKRWIIOFSHHCAV-VIFPVBQESA-N 1 2 239.344 1.067 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CC12CC2 ZINC000421777083 192385463 /nfs/dbraw/zinc/38/54/63/192385463.db2.gz XBVVIPFIEJONQA-LLVKDONJSA-N 1 2 247.342 1.955 20 0 BDADLO CCO[C@@H](C[N@H+](CC(=O)OC)C1CC1)C1CC1 ZINC000599306513 349143402 /nfs/dbraw/zinc/14/34/02/349143402.db2.gz KCPNYZAOLNUMJD-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO CCO[C@@H](C[N@@H+](CC(=O)OC)C1CC1)C1CC1 ZINC000599306513 349143405 /nfs/dbraw/zinc/14/34/05/349143405.db2.gz KCPNYZAOLNUMJD-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](CC(F)F)[C@H]2CCC[C@H]21 ZINC000599653848 349234609 /nfs/dbraw/zinc/23/46/09/349234609.db2.gz HLSXCTQOLFUZAN-AEJSXWLSSA-N 1 2 247.285 1.915 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](CC(F)F)[C@H]2CCC[C@H]21 ZINC000599653848 349234611 /nfs/dbraw/zinc/23/46/11/349234611.db2.gz HLSXCTQOLFUZAN-AEJSXWLSSA-N 1 2 247.285 1.915 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](CC(F)F)[C@@H]2CCC[C@@H]21 ZINC000599653851 349235578 /nfs/dbraw/zinc/23/55/78/349235578.db2.gz HLSXCTQOLFUZAN-OPRDCNLKSA-N 1 2 247.285 1.915 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](CC(F)F)[C@@H]2CCC[C@@H]21 ZINC000599653851 349235579 /nfs/dbraw/zinc/23/55/79/349235579.db2.gz HLSXCTQOLFUZAN-OPRDCNLKSA-N 1 2 247.285 1.915 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646493 349240256 /nfs/dbraw/zinc/24/02/56/349240256.db2.gz LBQYEJVOTJNBFE-SNVBAGLBSA-N 1 2 249.310 1.702 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646493 349240262 /nfs/dbraw/zinc/24/02/62/349240262.db2.gz LBQYEJVOTJNBFE-SNVBAGLBSA-N 1 2 249.310 1.702 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+](C)Cc1cn[nH]c1 ZINC000085825618 349278079 /nfs/dbraw/zinc/27/80/79/349278079.db2.gz FZIZJXSZSJKMEG-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825618 349278081 /nfs/dbraw/zinc/27/80/81/349278081.db2.gz FZIZJXSZSJKMEG-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CC(C)c1nc(NC[C@@](C)(O)C2CC2)cc[nH+]1 ZINC000601746429 349339000 /nfs/dbraw/zinc/33/90/00/349339000.db2.gz LNMOMNBINQSDDG-CYBMUJFWSA-N 1 2 235.331 1.595 20 0 BDADLO CC(C)N(Cc1noc(C[NH3+])n1)CC1CC1 ZINC000300854413 349380395 /nfs/dbraw/zinc/38/03/95/349380395.db2.gz ICLRVODELIXNKW-UHFFFAOYSA-N 1 2 224.308 1.149 20 0 BDADLO C[C@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785243 350032857 /nfs/dbraw/zinc/03/28/57/350032857.db2.gz HFGONWDGDLKKRK-WCBMZHEXSA-N 1 2 215.256 1.929 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785244 350032927 /nfs/dbraw/zinc/03/29/27/350032927.db2.gz HFGONWDGDLKKRK-WPRPVWTQSA-N 1 2 215.256 1.929 20 0 BDADLO Cc1ccc(CSc2nc(N)n[nH]2)c(C)[nH+]1 ZINC000186356741 349419593 /nfs/dbraw/zinc/41/95/93/349419593.db2.gz XCUKCCUYDCIGBP-UHFFFAOYSA-N 1 2 235.316 1.691 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCOC1 ZINC000603809129 350036464 /nfs/dbraw/zinc/03/64/64/350036464.db2.gz OWDWUWCSATUHER-VIFPVBQESA-N 1 2 231.255 1.309 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603834409 350042532 /nfs/dbraw/zinc/04/25/32/350042532.db2.gz SMFJMSFKIRBKII-LLVKDONJSA-N 1 2 249.314 1.137 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603834409 350042534 /nfs/dbraw/zinc/04/25/34/350042534.db2.gz SMFJMSFKIRBKII-LLVKDONJSA-N 1 2 249.314 1.137 20 0 BDADLO CCN(C(=O)[C@H]1COCC[N@@H+]1CC)C1CCC1 ZINC000636893216 350049373 /nfs/dbraw/zinc/04/93/73/350049373.db2.gz SNVVBYROOANJKG-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C(=O)[C@H]1COCC[N@H+]1CC)C1CCC1 ZINC000636893216 350049379 /nfs/dbraw/zinc/04/93/79/350049379.db2.gz SNVVBYROOANJKG-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(C)CCOCC1 ZINC000603911140 350050182 /nfs/dbraw/zinc/05/01/82/350050182.db2.gz MAGXZYNYUYDUEH-UHFFFAOYSA-N 1 2 248.326 1.821 20 0 BDADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)[nH]1 ZINC000603916976 350056290 /nfs/dbraw/zinc/05/62/90/350056290.db2.gz UPIHLYJIWBJGMD-UHFFFAOYSA-N 1 2 244.298 1.525 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@@H+]1Cc2cccnc2C1 ZINC000581663548 350065953 /nfs/dbraw/zinc/06/59/53/350065953.db2.gz MGJWUBLIQFGCNN-LBPRGKRZSA-N 1 2 247.342 1.118 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@H+]1Cc2cccnc2C1 ZINC000581663548 350065956 /nfs/dbraw/zinc/06/59/56/350065956.db2.gz MGJWUBLIQFGCNN-LBPRGKRZSA-N 1 2 247.342 1.118 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCCCO)[nH+]1 ZINC000309846685 180017944 /nfs/dbraw/zinc/01/79/44/180017944.db2.gz GVOJVIMJSWKLFM-UHFFFAOYSA-N 1 2 220.276 1.451 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](C)O)[nH+]1 ZINC000027987995 180019105 /nfs/dbraw/zinc/01/91/05/180019105.db2.gz XPBASCGHHLCBRA-LURJTMIESA-N 1 2 206.249 1.059 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000042245364 323245024 /nfs/dbraw/zinc/24/50/24/323245024.db2.gz QYFSZBVTJYCGGO-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nc(N2CC[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000268019144 180067749 /nfs/dbraw/zinc/06/77/49/180067749.db2.gz WJEKDOLVSYTHOB-SNVBAGLBSA-N 1 2 233.315 1.235 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cocn3)C2)[nH]1 ZINC000277966460 180042983 /nfs/dbraw/zinc/04/29/83/180042983.db2.gz JKBHTAJTXWOOSL-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cocn3)C2)[nH]1 ZINC000277966460 180042988 /nfs/dbraw/zinc/04/29/88/180042988.db2.gz JKBHTAJTXWOOSL-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cocn3)C2)n1 ZINC000277966460 180042989 /nfs/dbraw/zinc/04/29/89/180042989.db2.gz JKBHTAJTXWOOSL-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cocn3)C2)n1 ZINC000277966460 180042992 /nfs/dbraw/zinc/04/29/92/180042992.db2.gz JKBHTAJTXWOOSL-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CCC3CC3)CCO2)no1 ZINC000329717334 180045789 /nfs/dbraw/zinc/04/57/89/180045789.db2.gz XNHXHDAMBFZXJJ-NSHDSACASA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CCC3CC3)CCO2)no1 ZINC000329717334 180045792 /nfs/dbraw/zinc/04/57/92/180045792.db2.gz XNHXHDAMBFZXJJ-NSHDSACASA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@](C)(O)CC2)no1 ZINC000331700347 180047690 /nfs/dbraw/zinc/04/76/90/180047690.db2.gz ZISFGQHLERZESH-CABZTGNLSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@](C)(O)CC2)no1 ZINC000331700347 180047691 /nfs/dbraw/zinc/04/76/91/180047691.db2.gz ZISFGQHLERZESH-CABZTGNLSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H]2CCCN2Cc2c[nH+]c[nH]2)no1 ZINC000376200877 180057097 /nfs/dbraw/zinc/05/70/97/180057097.db2.gz VMAQVLXBYGUBFC-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nc([C@H]2CCCN2Cc2c[nH]c[nH+]2)no1 ZINC000376200877 180057098 /nfs/dbraw/zinc/05/70/98/180057098.db2.gz VMAQVLXBYGUBFC-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000636982069 350123579 /nfs/dbraw/zinc/12/35/79/350123579.db2.gz VRUYCOMZEJRBOP-MWLCHTKSSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1nc(NCC2(O)CCC2)c2c([nH+]1)CCCC2 ZINC000301577384 180068151 /nfs/dbraw/zinc/06/81/51/180068151.db2.gz QYCLLQKRVYPLDC-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1nc(N(C)[C@H](C)CO)c2c([nH+]1)CCCC2 ZINC000286586099 180069003 /nfs/dbraw/zinc/06/90/03/180069003.db2.gz WSCZMEXVSZMHOT-SECBINFHSA-N 1 2 235.331 1.481 20 0 BDADLO Cc1nc(NC[C@@H](C)O)c2c([nH+]1)CCCC2 ZINC000272823855 180069673 /nfs/dbraw/zinc/06/96/73/180069673.db2.gz FSARBCNBJQHGMB-MRVPVSSYSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNCC(F)F ZINC000147421731 180107396 /nfs/dbraw/zinc/10/73/96/180107396.db2.gz GWUUAZOINUWLQM-UHFFFAOYSA-N 1 2 225.242 1.997 20 0 BDADLO Cc1nc2ccccn2c1C[NH2+]CC(F)F ZINC000147421731 180107398 /nfs/dbraw/zinc/10/73/98/180107398.db2.gz GWUUAZOINUWLQM-UHFFFAOYSA-N 1 2 225.242 1.997 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C[C@@H]1CC[C@@H](C)O1)C2 ZINC000364331603 180108702 /nfs/dbraw/zinc/10/87/02/180108702.db2.gz KZCSDIFJDBOHQJ-MFKMUULPSA-N 1 2 249.358 1.883 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000336419957 180130657 /nfs/dbraw/zinc/13/06/57/180130657.db2.gz BSURRWFAQVOHBZ-PSASIEDQSA-N 1 2 221.304 1.884 20 0 BDADLO CC(C)=CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637081351 350176310 /nfs/dbraw/zinc/17/63/10/350176310.db2.gz HSXNXXVSKCTMEO-LLVKDONJSA-N 1 2 248.330 1.463 20 0 BDADLO Cc1ncc(C[N@H+]2CCN(C)C[C@H]2C)s1 ZINC000336554890 180143467 /nfs/dbraw/zinc/14/34/67/180143467.db2.gz VESWENCSNCSNQF-SECBINFHSA-N 1 2 225.361 1.587 20 0 BDADLO Cc1ncc(C[N@@H+]2CCN(C)C[C@H]2C)s1 ZINC000336554890 180143469 /nfs/dbraw/zinc/14/34/69/180143469.db2.gz VESWENCSNCSNQF-SECBINFHSA-N 1 2 225.361 1.587 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)o1 ZINC000335749647 180118815 /nfs/dbraw/zinc/11/88/15/180118815.db2.gz BOLVLZVCAFJJEE-UHFFFAOYSA-N 1 2 239.662 1.895 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccccc1F ZINC000353106637 180119007 /nfs/dbraw/zinc/11/90/07/180119007.db2.gz LVCBWFDBJCWOLH-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(F)cc1 ZINC000353155798 180119069 /nfs/dbraw/zinc/11/90/69/180119069.db2.gz DAITZOPZQIUZTD-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1nccs1 ZINC000335741462 180120267 /nfs/dbraw/zinc/12/02/67/180120267.db2.gz MCWDKRMUMSJQMT-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408118993 180120302 /nfs/dbraw/zinc/12/03/02/180120302.db2.gz ZEEHNHKUYKOKBX-PSASIEDQSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cnc(C)nc2)n1 ZINC000341257757 180150639 /nfs/dbraw/zinc/15/06/39/180150639.db2.gz ANASZZRCNQISCT-UHFFFAOYSA-N 1 2 247.302 1.501 20 0 BDADLO Cc1nc(NCC2(C(N)=O)CCCC2)cc[nH+]1 ZINC000266311523 180197567 /nfs/dbraw/zinc/19/75/67/180197567.db2.gz DMLJBYGUQCKPOQ-UHFFFAOYSA-N 1 2 234.303 1.243 20 0 BDADLO Cc1nc(NCCCn2cccn2)cc[nH+]1 ZINC000157356205 180198011 /nfs/dbraw/zinc/19/80/11/180198011.db2.gz ROXNKDJNNAFBTF-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO Cc1nc(NCCc2csc(N)n2)cc[nH+]1 ZINC000289224174 180200483 /nfs/dbraw/zinc/20/04/83/180200483.db2.gz XMJDFGSQYZJGTN-UHFFFAOYSA-N 1 2 235.316 1.478 20 0 BDADLO Cc1nc(NC[C@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000286430989 180200562 /nfs/dbraw/zinc/20/05/62/180200562.db2.gz QQASGSHSTFCLDK-MWLCHTKSSA-N 1 2 221.304 1.870 20 0 BDADLO Cc1nc(NC[C@H]2COC3(CCCC3)O2)cc[nH+]1 ZINC000271390466 180201523 /nfs/dbraw/zinc/20/15/23/180201523.db2.gz RDXWISIXBWKVNA-NSHDSACASA-N 1 2 249.314 1.883 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@H](C)C2)cc[nH+]1 ZINC000220107526 180203718 /nfs/dbraw/zinc/20/37/18/180203718.db2.gz TYPORCOLXPCGGK-PSASIEDQSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000154046047 180203834 /nfs/dbraw/zinc/20/38/34/180203834.db2.gz ZPFIUUIAZWTGSS-VHSXEESVSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc[nH+]1 ZINC000302524903 180204872 /nfs/dbraw/zinc/20/48/72/180204872.db2.gz CRPOSKHXCPAXAT-AXFHLTTASA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(NC[C@@H](CO)CC2CCCC2)cc[nH+]1 ZINC000359296840 180181121 /nfs/dbraw/zinc/18/11/21/180181121.db2.gz ILTWEGCJHPJPCD-ZDUSSCGKSA-N 1 2 249.358 1.808 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2cccnc2)n1 ZINC000352832413 180183221 /nfs/dbraw/zinc/18/32/21/180183221.db2.gz OURDXRBRNCEBHG-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2cccnc2)n1 ZINC000352832413 180183224 /nfs/dbraw/zinc/18/32/24/180183224.db2.gz OURDXRBRNCEBHG-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)n1 ZINC000373595910 180183828 /nfs/dbraw/zinc/18/38/28/180183828.db2.gz QYENYBHDBPECDV-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1nccc(C[N@H+]2CCCC[C@]2(C)C(N)=O)n1 ZINC000373595910 180183831 /nfs/dbraw/zinc/18/38/31/180183831.db2.gz QYENYBHDBPECDV-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1cc(C)nc([S@@](=O)Cc2[nH+]ccn2C)c1 ZINC000618534872 350214096 /nfs/dbraw/zinc/21/40/96/350214096.db2.gz XROUZITUFCLIPS-KRWDZBQOSA-N 1 2 249.339 1.740 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368332467 180221558 /nfs/dbraw/zinc/22/15/58/180221558.db2.gz QJXKHMUYWMQBKV-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368332467 180221559 /nfs/dbraw/zinc/22/15/59/180221559.db2.gz QJXKHMUYWMQBKV-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000335031202 350253158 /nfs/dbraw/zinc/25/31/58/350253158.db2.gz FGEKNBIOZJZIKQ-RKDXNWHRSA-N 1 2 246.301 1.394 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000617956006 350270747 /nfs/dbraw/zinc/27/07/47/350270747.db2.gz KJLLNLIVUQQXHW-XYPYZODXSA-N 1 2 237.303 1.026 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000617956006 350270751 /nfs/dbraw/zinc/27/07/51/350270751.db2.gz KJLLNLIVUQQXHW-XYPYZODXSA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)COCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000049981253 350272716 /nfs/dbraw/zinc/27/27/16/350272716.db2.gz GFMXCPQVCDTANO-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC1(C)COCC[N@H+]1CC(=O)NC1CCCC1 ZINC000049981253 350272718 /nfs/dbraw/zinc/27/27/18/350272718.db2.gz GFMXCPQVCDTANO-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO Cc1nccnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000214285568 180279557 /nfs/dbraw/zinc/27/95/57/180279557.db2.gz PWOGBLOFGZFBED-SECBINFHSA-N 1 2 217.276 1.482 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000066563026 180313583 /nfs/dbraw/zinc/31/35/83/180313583.db2.gz LKEFZECBYIURGW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cnn(C)c1 ZINC000066563026 180313585 /nfs/dbraw/zinc/31/35/85/180313585.db2.gz LKEFZECBYIURGW-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncoc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329219919 180297336 /nfs/dbraw/zinc/29/73/36/180297336.db2.gz BCFKOMRQAXVCOD-VIFPVBQESA-N 1 2 246.270 1.683 20 0 BDADLO Cc1ncsc1C[N@H+](C1CC1)C1COC1 ZINC000295609996 180315930 /nfs/dbraw/zinc/31/59/30/180315930.db2.gz DRUZTHPZKANJDJ-UHFFFAOYSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ncsc1C[N@@H+](C1CC1)C1COC1 ZINC000295609996 180315932 /nfs/dbraw/zinc/31/59/32/180315932.db2.gz DRUZTHPZKANJDJ-UHFFFAOYSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000336442851 180303617 /nfs/dbraw/zinc/30/36/17/180303617.db2.gz RQXCLHJWTBSBAH-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000336442851 180303620 /nfs/dbraw/zinc/30/36/20/180303620.db2.gz RQXCLHJWTBSBAH-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO CCOCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606584495 350374427 /nfs/dbraw/zinc/37/44/27/350374427.db2.gz YDSVSQSMLCURQM-UHFFFAOYSA-N 1 2 248.286 1.492 20 0 BDADLO CC[C@](C)(C[NH2+][C@@H](CC(C)C)C(=O)OC)OC ZINC000319856762 350377181 /nfs/dbraw/zinc/37/71/81/350377181.db2.gz LNEPNTCRBJKKLW-WCQYABFASA-N 1 2 245.363 1.979 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000617217729 350388336 /nfs/dbraw/zinc/38/83/36/350388336.db2.gz DICREEOTQOWYLI-NRUUGDAUSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000617217729 350388339 /nfs/dbraw/zinc/38/83/39/350388339.db2.gz DICREEOTQOWYLI-NRUUGDAUSA-N 1 2 233.315 1.647 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccs1 ZINC000336668635 350433277 /nfs/dbraw/zinc/43/32/77/350433277.db2.gz PKDOQNVSMGGTTN-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccs1 ZINC000336668635 350433278 /nfs/dbraw/zinc/43/32/78/350433278.db2.gz PKDOQNVSMGGTTN-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@@H+](Cc1cnns1)C[C@@H]1CCCO1 ZINC000336679769 350436782 /nfs/dbraw/zinc/43/67/82/350436782.db2.gz IRFPWVRXPXPOAK-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@H+](Cc1cnns1)C[C@@H]1CCCO1 ZINC000336679769 350436784 /nfs/dbraw/zinc/43/67/84/350436784.db2.gz IRFPWVRXPXPOAK-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cnccc1C ZINC000162746568 350422950 /nfs/dbraw/zinc/42/29/50/350422950.db2.gz XRGJYBSITJLMKM-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1ccoc1 ZINC000352649903 180372241 /nfs/dbraw/zinc/37/22/41/180372241.db2.gz QXMSTVPWKDTYPQ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccoc1 ZINC000352649903 180372242 /nfs/dbraw/zinc/37/22/42/180372242.db2.gz QXMSTVPWKDTYPQ-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C[C@H](NCc1nccs1)c1[nH+]ccn1C ZINC000070007974 350491920 /nfs/dbraw/zinc/49/19/20/350491920.db2.gz POQBHVONBWRPHA-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CN(C)c1nc(NCCCO)[nH+]c2ccccc21 ZINC000041147262 350482053 /nfs/dbraw/zinc/48/20/53/350482053.db2.gz HANMVIGETYKAML-UHFFFAOYSA-N 1 2 246.314 1.490 20 0 BDADLO Cc1nc(N2CCC[C@H]2C[C@@H](C)O)cc[nH+]1 ZINC000133388863 191106075 /nfs/dbraw/zinc/10/60/75/191106075.db2.gz KTYOQJZRRNLCBR-KOLCDFICSA-N 1 2 221.304 1.525 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CSC1(C)C)C(=O)OC ZINC000336648384 350567565 /nfs/dbraw/zinc/56/75/65/350567565.db2.gz GIOMTIFCMRWFRL-HTQZYQBOSA-N 1 2 217.334 1.422 20 0 BDADLO CCC[C@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000577526692 365979268 /nfs/dbraw/zinc/97/92/68/365979268.db2.gz JLVLUJFCJQJRHK-SCZZXKLOSA-N 1 2 227.308 1.532 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000577526692 365979276 /nfs/dbraw/zinc/97/92/76/365979276.db2.gz JLVLUJFCJQJRHK-SCZZXKLOSA-N 1 2 227.308 1.532 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C[C@@H]1CCOC1 ZINC000606767092 350605237 /nfs/dbraw/zinc/60/52/37/350605237.db2.gz VAZADQLGMQYJLC-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO CCCC[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000337512233 350591634 /nfs/dbraw/zinc/59/16/34/350591634.db2.gz VYNFSPDEEXMJCM-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000051888059 191113444 /nfs/dbraw/zinc/11/34/44/191113444.db2.gz PVJJXNNXDOVEGY-SECBINFHSA-N 1 2 225.292 1.007 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000051888059 191113445 /nfs/dbraw/zinc/11/34/45/191113445.db2.gz PVJJXNNXDOVEGY-SECBINFHSA-N 1 2 225.292 1.007 20 0 BDADLO C/C=C/CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000637485072 350640702 /nfs/dbraw/zinc/64/07/02/350640702.db2.gz ISEZKKRZEQSNOC-SNAWJCMRSA-N 1 2 222.292 1.138 20 0 BDADLO Cc1cccc2[nH+]c(CN3CCOC[C@H]3C)cn21 ZINC000051687590 350762678 /nfs/dbraw/zinc/76/26/78/350762678.db2.gz HRYNJUYXXPFSKK-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO O[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC12CC2 ZINC000563327575 350819733 /nfs/dbraw/zinc/81/97/33/350819733.db2.gz VWEVTHUPRSZZIU-JTQLQIEISA-N 1 2 246.314 1.012 20 0 BDADLO O[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC12CC2 ZINC000563327575 350819738 /nfs/dbraw/zinc/81/97/38/350819738.db2.gz VWEVTHUPRSZZIU-JTQLQIEISA-N 1 2 246.314 1.012 20 0 BDADLO CCn1cc[nH+]c1CN[C@@H](COC)c1ccco1 ZINC000177576241 366009867 /nfs/dbraw/zinc/00/98/67/366009867.db2.gz WEMJWCLPJSUBLW-NSHDSACASA-N 1 2 249.314 1.973 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)ccn1 ZINC000623563027 362988003 /nfs/dbraw/zinc/98/80/03/362988003.db2.gz LFQUAMYMIHVVJP-ZYHUDNBSSA-N 1 2 243.314 1.777 20 0 BDADLO CNC(=O)C[NH+](C)[C@@H](C)c1ccccc1F ZINC000052074256 350929702 /nfs/dbraw/zinc/92/97/02/350929702.db2.gz VNWNUMJKJCCLNK-VIFPVBQESA-N 1 2 224.279 1.565 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)C[C@H]1CCCO1 ZINC000052102533 350937174 /nfs/dbraw/zinc/93/71/74/350937174.db2.gz MSDDJSFEXVAGCL-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)C[C@H]1CCCO1 ZINC000052102533 350937177 /nfs/dbraw/zinc/93/71/77/350937177.db2.gz MSDDJSFEXVAGCL-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cnn[nH]2)o1 ZINC000398338300 351037039 /nfs/dbraw/zinc/03/70/39/351037039.db2.gz BYKUJWVFLRJKBA-KCJUWKMLSA-N 1 2 232.287 1.811 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cnn[nH]2)o1 ZINC000398338189 351037188 /nfs/dbraw/zinc/03/71/88/351037188.db2.gz BYKUJWVFLRJKBA-GZMMTYOYSA-N 1 2 232.287 1.811 20 0 BDADLO C/C=C\C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000623740423 351052478 /nfs/dbraw/zinc/05/24/78/351052478.db2.gz VVYHSFLNOLWHIH-WAYWQWQTSA-N 1 2 209.297 1.094 20 0 BDADLO Cc1cccn2c(C[NH2+]Cc3cnn[nH]3)cnc12 ZINC000623578044 363009564 /nfs/dbraw/zinc/00/95/64/363009564.db2.gz SACGJYGMGDNUAY-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO Cc1nocc1C[NH2+]Cc1c(Cl)cnn1C ZINC000398114992 363012321 /nfs/dbraw/zinc/01/23/21/363012321.db2.gz UEWVSVNCWFCPLK-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO CC(C)(C[NH2+]Cc1c[nH]nn1)c1ccccc1 ZINC000623578713 363012753 /nfs/dbraw/zinc/01/27/53/363012753.db2.gz VBVZZZARJCALFY-UHFFFAOYSA-N 1 2 230.315 1.872 20 0 BDADLO CC(C)(C[NH2+]Cc1cn[nH]n1)c1ccccc1 ZINC000623578713 363012757 /nfs/dbraw/zinc/01/27/57/363012757.db2.gz VBVZZZARJCALFY-UHFFFAOYSA-N 1 2 230.315 1.872 20 0 BDADLO CC[C@@H](Nc1ccc([NH+](C)C)cc1C)C(N)=O ZINC000263814526 351189696 /nfs/dbraw/zinc/18/96/96/351189696.db2.gz VOXHXQPPKYTZDS-LLVKDONJSA-N 1 2 235.331 1.737 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cc(C)nn1C ZINC000265035698 351261774 /nfs/dbraw/zinc/26/17/74/351261774.db2.gz UUANJUNDMXTVCK-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(C(N)=O)cc1 ZINC000036804515 358462729 /nfs/dbraw/zinc/46/27/29/358462729.db2.gz REIFAUFPMYUPTO-UHFFFAOYSA-N 1 2 230.271 1.131 20 0 BDADLO CCC[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)OCC ZINC000628347592 351304338 /nfs/dbraw/zinc/30/43/38/351304338.db2.gz RQUFGVFNNNRJDP-JTQLQIEISA-N 1 2 239.319 1.653 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2noc(C)n2)[nH+]1 ZINC000628352819 351316422 /nfs/dbraw/zinc/31/64/22/351316422.db2.gz VTIZXKOBQSHQHN-UHFFFAOYSA-N 1 2 221.264 1.042 20 0 BDADLO Cc1[nH]c(CN(C[C@H](C)O)C2CC2)[nH+]c1C ZINC000628328550 351267054 /nfs/dbraw/zinc/26/70/54/351267054.db2.gz PVGSQKFNBFPGID-QMMMGPOBSA-N 1 2 223.320 1.372 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@@H](O)C(F)(F)F ZINC000270777688 351387613 /nfs/dbraw/zinc/38/76/13/351387613.db2.gz INKWDQXHBZCFAS-VXNVDRBHSA-N 1 2 249.236 1.899 20 0 BDADLO CC[N@H+](Cc1nonc1C)Cc1ccncc1 ZINC000271053048 351398222 /nfs/dbraw/zinc/39/82/22/351398222.db2.gz YFYXPLWHUGICQU-UHFFFAOYSA-N 1 2 232.287 1.795 20 0 BDADLO CC[N@@H+](Cc1nonc1C)Cc1ccncc1 ZINC000271053048 351398225 /nfs/dbraw/zinc/39/82/25/351398225.db2.gz YFYXPLWHUGICQU-UHFFFAOYSA-N 1 2 232.287 1.795 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccn(C)n1 ZINC000271117247 351402115 /nfs/dbraw/zinc/40/21/15/351402115.db2.gz CJEFRURBFLAQMN-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccn(C)n1 ZINC000271117247 351402117 /nfs/dbraw/zinc/40/21/17/351402117.db2.gz CJEFRURBFLAQMN-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO FC(F)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000637810828 351651063 /nfs/dbraw/zinc/65/10/63/351651063.db2.gz JDYYCOYRYLAVOC-UHFFFAOYSA-N 1 2 228.242 1.851 20 0 BDADLO CN1CCC[N@H+](Cc2ccns2)CC1 ZINC000637811567 351652967 /nfs/dbraw/zinc/65/29/67/351652967.db2.gz QGLSKMNTVFESGZ-UHFFFAOYSA-N 1 2 211.334 1.281 20 0 BDADLO CN1CCC[N@@H+](Cc2ccns2)CC1 ZINC000637811567 351652970 /nfs/dbraw/zinc/65/29/70/351652970.db2.gz QGLSKMNTVFESGZ-UHFFFAOYSA-N 1 2 211.334 1.281 20 0 BDADLO C[C@@H]1C[NH+]([C@@H](c2nccn2C)C2CC2)C[C@@H](C)O1 ZINC000637815770 351654745 /nfs/dbraw/zinc/65/47/45/351654745.db2.gz WCWSFUXUWSVOKI-NQBHXWOUSA-N 1 2 249.358 1.980 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)(C)O ZINC000292675565 351621475 /nfs/dbraw/zinc/62/14/75/351621475.db2.gz DJCPPWGRGCPRLA-SECBINFHSA-N 1 2 209.293 1.746 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000365743427 191138935 /nfs/dbraw/zinc/13/89/35/191138935.db2.gz PQRNCEZRZGPPHJ-DGCLKSJQSA-N 1 2 247.342 1.754 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000577742682 366049358 /nfs/dbraw/zinc/04/93/58/366049358.db2.gz CXOOYPDIXSJNIM-NEPJUHHUSA-N 1 2 248.326 1.741 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000577742682 366049362 /nfs/dbraw/zinc/04/93/62/366049362.db2.gz CXOOYPDIXSJNIM-NEPJUHHUSA-N 1 2 248.326 1.741 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C)[C@H]1C ZINC000577767105 366058053 /nfs/dbraw/zinc/05/80/53/366058053.db2.gz RWXDVDXPMCFBNG-HBNTYKKESA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C)[C@H]1C ZINC000577767105 366058058 /nfs/dbraw/zinc/05/80/58/366058058.db2.gz RWXDVDXPMCFBNG-HBNTYKKESA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637882899 351750563 /nfs/dbraw/zinc/75/05/63/351750563.db2.gz JDJJSYNDQZORBU-ZYHUDNBSSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637882899 351750566 /nfs/dbraw/zinc/75/05/66/351750566.db2.gz JDJJSYNDQZORBU-ZYHUDNBSSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)c1ccco1 ZINC000607618370 351766784 /nfs/dbraw/zinc/76/67/84/351766784.db2.gz YVUFVGNPNCZJJU-LLVKDONJSA-N 1 2 247.298 1.786 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)Cc1cnc(N)nc1N ZINC000637901843 351770953 /nfs/dbraw/zinc/77/09/53/351770953.db2.gz HXACPKPBWMOLKZ-MRVPVSSYSA-N 1 2 247.302 1.088 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cnc(N)nc1N ZINC000637901843 351770957 /nfs/dbraw/zinc/77/09/57/351770957.db2.gz HXACPKPBWMOLKZ-MRVPVSSYSA-N 1 2 247.302 1.088 20 0 BDADLO COc1ccccc1C[NH2+][C@H](C)c1nncn1C ZINC000037016705 358467029 /nfs/dbraw/zinc/46/70/29/358467029.db2.gz GKCHMQFSKYIZPY-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccns1 ZINC000637970397 351845981 /nfs/dbraw/zinc/84/59/81/351845981.db2.gz QASGFXARESWUJD-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccns1 ZINC000637970397 351845983 /nfs/dbraw/zinc/84/59/83/351845983.db2.gz QASGFXARESWUJD-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccsc1 ZINC000282866122 351947651 /nfs/dbraw/zinc/94/76/51/351947651.db2.gz XQVYVYWAUCOUTN-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccsc1 ZINC000282866122 351947655 /nfs/dbraw/zinc/94/76/55/351947655.db2.gz XQVYVYWAUCOUTN-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CC[N@H+](Cc1cnc(C)s1)[C@H]1CCNC1=O ZINC000282233929 351927216 /nfs/dbraw/zinc/92/72/16/351927216.db2.gz FSBXXQNKVSRCGA-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1cnc(C)s1)[C@H]1CCNC1=O ZINC000282233929 351927220 /nfs/dbraw/zinc/92/72/20/351927220.db2.gz FSBXXQNKVSRCGA-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CCc1cnc(CNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000283071067 351957442 /nfs/dbraw/zinc/95/74/42/351957442.db2.gz KNMOHMBLFPANEK-ONEGZZNKSA-N 1 2 246.270 1.290 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC1(C(C)C)CC1)C2 ZINC000638090344 351968155 /nfs/dbraw/zinc/96/81/55/351968155.db2.gz IQVPAUUMGSEIJG-UHFFFAOYSA-N 1 2 234.347 1.838 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC1(C(C)C)CC1)C2 ZINC000638090344 351968159 /nfs/dbraw/zinc/96/81/59/351968159.db2.gz IQVPAUUMGSEIJG-UHFFFAOYSA-N 1 2 234.347 1.838 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1ccco1 ZINC000083977653 352122897 /nfs/dbraw/zinc/12/28/97/352122897.db2.gz UYCOHOFOPYIHSF-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCc1nc(CC)n(Cc2c[nH+]ccc2OC)n1 ZINC000288412711 352148265 /nfs/dbraw/zinc/14/82/65/352148265.db2.gz CCHCZBKMNFLRBL-UHFFFAOYSA-N 1 2 246.314 1.855 20 0 BDADLO CO[C@H](CNc1cccc[nH+]1)C1CCOCC1 ZINC000638394587 352200627 /nfs/dbraw/zinc/20/06/27/352200627.db2.gz GJAUPPQMAHUEKP-GFCCVEGCSA-N 1 2 236.315 1.935 20 0 BDADLO CCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513728 352240620 /nfs/dbraw/zinc/24/06/20/352240620.db2.gz WTZKXPYPGJAPSP-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513728 352240626 /nfs/dbraw/zinc/24/06/26/352240626.db2.gz WTZKXPYPGJAPSP-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)n1C)C[C@@H](C)OC ZINC000291070311 352259950 /nfs/dbraw/zinc/25/99/50/352259950.db2.gz LONJPAAAMMMRDG-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)n1C)C[C@@H](C)OC ZINC000291070311 352259951 /nfs/dbraw/zinc/25/99/51/352259951.db2.gz LONJPAAAMMMRDG-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)s1 ZINC000630075263 363159752 /nfs/dbraw/zinc/15/97/52/363159752.db2.gz WTVCXQFIPKNIST-SCZZXKLOSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)s1 ZINC000630075263 363159757 /nfs/dbraw/zinc/15/97/57/363159757.db2.gz WTVCXQFIPKNIST-SCZZXKLOSA-N 1 2 241.360 1.439 20 0 BDADLO FC1(F)CC12C[NH+](Cc1ccns1)C2 ZINC000630077186 363175973 /nfs/dbraw/zinc/17/59/73/363175973.db2.gz QKSFSMQPDWTGAA-UHFFFAOYSA-N 1 2 216.256 1.984 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)C(C)(C)C)o1 ZINC000638573416 352399592 /nfs/dbraw/zinc/39/95/92/352399592.db2.gz DBOUVXUADRPXOM-UHFFFAOYSA-N 1 2 239.319 1.235 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000294458369 352377471 /nfs/dbraw/zinc/37/74/71/352377471.db2.gz LNBSOJSBDTYCMG-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)(O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284428932 187692093 /nfs/dbraw/zinc/69/20/93/187692093.db2.gz PCALORKQELUGQD-AATRIKPKSA-N 1 2 237.303 1.089 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)O ZINC000287484246 187694337 /nfs/dbraw/zinc/69/43/37/187694337.db2.gz KKGVRHOVBUPSRF-UHFFFAOYSA-N 1 2 237.303 1.591 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCCn1cccc1 ZINC000269461326 180743111 /nfs/dbraw/zinc/74/31/11/180743111.db2.gz HIGOJCRCEDHKBX-UHFFFAOYSA-N 1 2 246.314 1.318 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798907 191213168 /nfs/dbraw/zinc/21/31/68/191213168.db2.gz XULDXOHPGRAQPO-XDTLVQLUSA-N 1 2 248.301 1.502 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798907 191213170 /nfs/dbraw/zinc/21/31/70/191213170.db2.gz XULDXOHPGRAQPO-XDTLVQLUSA-N 1 2 248.301 1.502 20 0 BDADLO COC(=O)CC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000411784214 191212139 /nfs/dbraw/zinc/21/21/39/191212139.db2.gz GYPHRMQHIZCSMN-NSHDSACASA-N 1 2 245.319 1.115 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)o1 ZINC000638688062 352526616 /nfs/dbraw/zinc/52/66/16/352526616.db2.gz DOTYQGROMLSAFT-JMJZKYOTSA-N 1 2 249.314 1.082 20 0 BDADLO CCO[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000608014509 352602168 /nfs/dbraw/zinc/60/21/68/352602168.db2.gz BDUSQOLIXICZFV-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411880738 191226344 /nfs/dbraw/zinc/22/63/44/191226344.db2.gz WDVZYURBZGXKNP-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411880738 191226346 /nfs/dbraw/zinc/22/63/46/191226346.db2.gz WDVZYURBZGXKNP-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(F)cc1 ZINC000341607949 352714906 /nfs/dbraw/zinc/71/49/06/352714906.db2.gz CTRUCXCWMJIQAG-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(F)cc1 ZINC000341607949 352714909 /nfs/dbraw/zinc/71/49/09/352714909.db2.gz CTRUCXCWMJIQAG-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CCc1nc(N2CC(OC)C2)cc(C)[nH+]1 ZINC000342141791 352738843 /nfs/dbraw/zinc/73/88/43/352738843.db2.gz XMZHGHFFYRNMJM-UHFFFAOYSA-N 1 2 207.277 1.182 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC1(C)C ZINC000357797057 180783780 /nfs/dbraw/zinc/78/37/80/180783780.db2.gz IXHIGVHKHOIXEQ-VIFPVBQESA-N 1 2 236.319 1.265 20 0 BDADLO CC(C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334210067 352806751 /nfs/dbraw/zinc/80/67/51/352806751.db2.gz YGPBFTMOIWIJRQ-SNVBAGLBSA-N 1 2 236.319 1.327 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cnc(C)nc2)[nH]1 ZINC000342820645 352864789 /nfs/dbraw/zinc/86/47/89/352864789.db2.gz JRSWPCSTFGKRNV-QMMMGPOBSA-N 1 2 246.318 1.316 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC000412065111 191256732 /nfs/dbraw/zinc/25/67/32/191256732.db2.gz FOCQMZRZDPFYQS-DFIIWKEWSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC000412065111 191256734 /nfs/dbraw/zinc/25/67/34/191256734.db2.gz FOCQMZRZDPFYQS-DFIIWKEWSA-N 1 2 247.338 1.781 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C)O[C@H](C3CC3)C2)n1C ZINC000342852407 352874971 /nfs/dbraw/zinc/87/49/71/352874971.db2.gz CKRDUCDCEALZGB-YPMHNXCESA-N 1 2 249.358 1.728 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000334264875 352899707 /nfs/dbraw/zinc/89/97/07/352899707.db2.gz LRQFSIREIODKBP-ZYHUDNBSSA-N 1 2 243.310 1.792 20 0 BDADLO c1coc(CN2CCn3cc[nH+]c3C2)c1 ZINC000334351968 352986919 /nfs/dbraw/zinc/98/69/19/352986919.db2.gz HEHGQKAJUQSRBO-UHFFFAOYSA-N 1 2 203.245 1.492 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000334319620 352950526 /nfs/dbraw/zinc/95/05/26/352950526.db2.gz UQBBHJBSGWEPHL-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC1(C)C)[NH+]1CCOCC1 ZINC000334375724 353032095 /nfs/dbraw/zinc/03/20/95/353032095.db2.gz DRRVSLBVIYEMBI-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1nccs1 ZINC000231844634 538107413 /nfs/dbraw/zinc/10/74/13/538107413.db2.gz YILWUDAMPAAJIE-QMMMGPOBSA-N 1 2 227.333 1.100 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccns2)CCO1 ZINC000638911656 353076508 /nfs/dbraw/zinc/07/65/08/353076508.db2.gz YAHUAWPJDLHVCV-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccns2)CCO1 ZINC000638911656 353076510 /nfs/dbraw/zinc/07/65/10/353076510.db2.gz YAHUAWPJDLHVCV-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO C[C@H](CCO)Sc1[nH+]cnc2[nH]ccc21 ZINC000608093143 353122339 /nfs/dbraw/zinc/12/23/39/353122339.db2.gz YFRNRULCLYSRTL-SSDOTTSWSA-N 1 2 223.301 1.821 20 0 BDADLO C[C@@H]1C[N@H+](C/C(Cl)=C/Cl)C[C@@H]1O ZINC000307750619 353125944 /nfs/dbraw/zinc/12/59/44/353125944.db2.gz KTJMKIRQDABQKC-GKOIYBEVSA-N 1 2 210.104 1.618 20 0 BDADLO C[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1O ZINC000307750619 353125946 /nfs/dbraw/zinc/12/59/46/353125946.db2.gz KTJMKIRQDABQKC-GKOIYBEVSA-N 1 2 210.104 1.618 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589176 353175116 /nfs/dbraw/zinc/17/51/16/353175116.db2.gz UMGWHGIUTGMCJO-VWYCJHECSA-N 1 2 246.326 1.731 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330589176 353175118 /nfs/dbraw/zinc/17/51/18/353175118.db2.gz UMGWHGIUTGMCJO-VWYCJHECSA-N 1 2 246.326 1.731 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000093305770 538109726 /nfs/dbraw/zinc/10/97/26/538109726.db2.gz XTJSWPSHQVXBFZ-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@@H]2CCCO2)no1 ZINC000331271418 353233036 /nfs/dbraw/zinc/23/30/36/353233036.db2.gz NDRWZRBMZNYZJG-VIFPVBQESA-N 1 2 239.319 1.636 20 0 BDADLO O=C(NCCCF)c1ccc2[nH+]ccn2c1 ZINC000178079253 366086706 /nfs/dbraw/zinc/08/67/06/366086706.db2.gz HRCWHQHCEJTJNO-UHFFFAOYSA-N 1 2 221.235 1.424 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC1(CO)CC1 ZINC000134577215 538113447 /nfs/dbraw/zinc/11/34/47/538113447.db2.gz MBAMSJKYUZCYQT-QMMMGPOBSA-N 1 2 209.293 1.141 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000343261940 353269557 /nfs/dbraw/zinc/26/95/57/353269557.db2.gz CWUIGHAKIZOLBS-ADEWGFFLSA-N 1 2 248.326 1.723 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000343261940 353269562 /nfs/dbraw/zinc/26/95/62/353269562.db2.gz CWUIGHAKIZOLBS-ADEWGFFLSA-N 1 2 248.326 1.723 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOC(C)C ZINC000134949363 538114078 /nfs/dbraw/zinc/11/40/78/538114078.db2.gz IDQIVHNHASTTAR-VIFPVBQESA-N 1 2 211.309 1.794 20 0 BDADLO CNc1cc(N[C@@H](C)CSC)nc[nH+]1 ZINC000128294224 353284348 /nfs/dbraw/zinc/28/43/48/353284348.db2.gz VXNUTYWECKLWIT-ZETCQYMHSA-N 1 2 212.322 1.682 20 0 BDADLO CNc1cc(N[C@@H](C)CSC)[nH+]cn1 ZINC000128294224 353284349 /nfs/dbraw/zinc/28/43/49/353284349.db2.gz VXNUTYWECKLWIT-ZETCQYMHSA-N 1 2 212.322 1.682 20 0 BDADLO CCCCc1noc(C[N@H+](C)C2(CO)CC2)n1 ZINC000353158162 188233879 /nfs/dbraw/zinc/23/38/79/188233879.db2.gz YACLGCPCUMMAFC-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@@H+](C)C2(CO)CC2)n1 ZINC000353158162 188233881 /nfs/dbraw/zinc/23/38/81/188233881.db2.gz YACLGCPCUMMAFC-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368341981 188246064 /nfs/dbraw/zinc/24/60/64/188246064.db2.gz QBWSPGZVYZPYPY-VHSXEESVSA-N 1 2 227.304 1.191 20 0 BDADLO CC(C)(C)OC(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368341981 188246066 /nfs/dbraw/zinc/24/60/66/188246066.db2.gz QBWSPGZVYZPYPY-VHSXEESVSA-N 1 2 227.304 1.191 20 0 BDADLO c1cnn(C2CC[NH+](Cc3csnn3)CC2)c1 ZINC000367461048 188246691 /nfs/dbraw/zinc/24/66/91/188246691.db2.gz PEIBXLFHKMXTRG-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000373379219 188249926 /nfs/dbraw/zinc/24/99/26/188249926.db2.gz SSVZEQWCYMATRL-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000373379219 188249928 /nfs/dbraw/zinc/24/99/28/188249928.db2.gz SSVZEQWCYMATRL-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO COc1ccc(NCc2c[nH]nc2C)[nH+]c1 ZINC000225893990 538114491 /nfs/dbraw/zinc/11/44/91/538114491.db2.gz LIOSDVINWHCDFV-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO CCOC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189650513 353310394 /nfs/dbraw/zinc/31/03/94/353310394.db2.gz PDZXBLQGMABHKP-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189650586 353310442 /nfs/dbraw/zinc/31/04/42/353310442.db2.gz VHNQXOFPBDVFDX-SECBINFHSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ncc[nH]2)CCS1 ZINC000072836665 188307393 /nfs/dbraw/zinc/30/73/93/188307393.db2.gz UVKLCOUMBOAXHQ-JTQLQIEISA-N 1 2 225.361 1.983 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ncc[nH]2)CCS1 ZINC000072836665 188307395 /nfs/dbraw/zinc/30/73/95/188307395.db2.gz UVKLCOUMBOAXHQ-JTQLQIEISA-N 1 2 225.361 1.983 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H]1CCCO1 ZINC000334501125 353331553 /nfs/dbraw/zinc/33/15/53/353331553.db2.gz HZFADTHHTHKMIM-IUCAKERBSA-N 1 2 230.333 1.118 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@@H]1CCCO1 ZINC000334501125 353331556 /nfs/dbraw/zinc/33/15/56/353331556.db2.gz HZFADTHHTHKMIM-IUCAKERBSA-N 1 2 230.333 1.118 20 0 BDADLO Cc1cc(N2CCOC[C@@H]2[C@@H]2CCCO2)nc[nH+]1 ZINC000343278302 353313685 /nfs/dbraw/zinc/31/36/85/353313685.db2.gz WXRPPEYXRIDDLY-NEPJUHHUSA-N 1 2 249.314 1.169 20 0 BDADLO COc1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000004770436 188329240 /nfs/dbraw/zinc/32/92/40/188329240.db2.gz TWAKRUGMCNLCAR-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO COc1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000004770436 188329241 /nfs/dbraw/zinc/32/92/41/188329241.db2.gz TWAKRUGMCNLCAR-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO CC(=O)N1CC[NH+](Cc2scnc2C)CC1 ZINC000157868500 188333897 /nfs/dbraw/zinc/33/38/97/188333897.db2.gz PRCLSHPWDPHWFK-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@@H]2C1 ZINC000176787477 188341548 /nfs/dbraw/zinc/34/15/48/188341548.db2.gz MXEBACXXCFRBMU-AOOOYVTPSA-N 1 2 243.314 1.600 20 0 BDADLO Cc1ccc(NC(=O)NCC(C)(C)O)c(C)[nH+]1 ZINC000176727799 188341751 /nfs/dbraw/zinc/34/17/51/188341751.db2.gz QUJUQBARSXTYJA-UHFFFAOYSA-N 1 2 237.303 1.591 20 0 BDADLO CC(=O)NCCNc1[nH+]ccc(C)c1Cl ZINC000309021406 188342569 /nfs/dbraw/zinc/34/25/69/188342569.db2.gz XFZWDDOXKAZCDS-UHFFFAOYSA-N 1 2 227.695 1.591 20 0 BDADLO CC(C)c1nc(N(C)CC(=O)N(C)C)cc[nH+]1 ZINC000106462647 188344192 /nfs/dbraw/zinc/34/41/92/188344192.db2.gz KKKRREBLLJPRDE-UHFFFAOYSA-N 1 2 236.319 1.124 20 0 BDADLO Cc1ccccc1NC(=O)Cn1cc[nH+]c1 ZINC000010809231 188346835 /nfs/dbraw/zinc/34/68/35/188346835.db2.gz SUAOAYLRMKOOCF-UHFFFAOYSA-N 1 2 215.256 1.830 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)C1=CCOCC1 ZINC000335527357 188347674 /nfs/dbraw/zinc/34/76/74/188347674.db2.gz IDQRKBPMKVCSAE-UHFFFAOYSA-N 1 2 232.283 1.984 20 0 BDADLO C([NH2+][C@H]1CCSC1)c1noc(C2CC2)n1 ZINC000336759719 188348435 /nfs/dbraw/zinc/34/84/35/188348435.db2.gz LNJCORBYVQEEOT-QMMMGPOBSA-N 1 2 225.317 1.542 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCNC(=O)[C@@H]2CCC)cn1 ZINC000194029917 188352155 /nfs/dbraw/zinc/35/21/55/188352155.db2.gz WPCUOLFSERYYQQ-LBPRGKRZSA-N 1 2 248.330 1.084 20 0 BDADLO C=Cn1cc(C[N@H+]2CCNC(=O)[C@@H]2CCC)cn1 ZINC000194029917 188352158 /nfs/dbraw/zinc/35/21/58/188352158.db2.gz WPCUOLFSERYYQQ-LBPRGKRZSA-N 1 2 248.330 1.084 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@](C)(CC)C2)cn1 ZINC000194831182 188353463 /nfs/dbraw/zinc/35/34/63/188353463.db2.gz CTHMOIXFOXQICF-CYBMUJFWSA-N 1 2 235.331 1.985 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@](C)(CC)C2)cn1 ZINC000194831182 188353465 /nfs/dbraw/zinc/35/34/65/188353465.db2.gz CTHMOIXFOXQICF-CYBMUJFWSA-N 1 2 235.331 1.985 20 0 BDADLO CC(C)N(C)C(=O)NCCNc1cccc[nH+]1 ZINC000267942453 188373687 /nfs/dbraw/zinc/37/36/87/188373687.db2.gz QIGDKAIINRTXPO-UHFFFAOYSA-N 1 2 236.319 1.543 20 0 BDADLO CC(C)[N@H+](CCc1cnn(C)c1)CC(F)F ZINC000268955226 188374252 /nfs/dbraw/zinc/37/42/52/188374252.db2.gz GOLJBBKBLDEIFM-UHFFFAOYSA-N 1 2 231.290 1.938 20 0 BDADLO CC(C)[N@@H+](CCc1cnn(C)c1)CC(F)F ZINC000268955226 188374254 /nfs/dbraw/zinc/37/42/54/188374254.db2.gz GOLJBBKBLDEIFM-UHFFFAOYSA-N 1 2 231.290 1.938 20 0 BDADLO Cc1cc(N2C[C@H](C)C[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000398975584 353397917 /nfs/dbraw/zinc/39/79/17/353397917.db2.gz CLCKFALFWFJJMG-ZYHUDNBSSA-N 1 2 245.326 1.716 20 0 BDADLO CCC(=O)N1CC[N@H+](CCOc2ccccc2)C1 ZINC000425505782 353402089 /nfs/dbraw/zinc/40/20/89/353402089.db2.gz CHOQAUQAINOZPI-UHFFFAOYSA-N 1 2 248.326 1.577 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCOc2ccccc2)C1 ZINC000425505782 353402092 /nfs/dbraw/zinc/40/20/92/353402092.db2.gz CHOQAUQAINOZPI-UHFFFAOYSA-N 1 2 248.326 1.577 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000270804951 188375803 /nfs/dbraw/zinc/37/58/03/188375803.db2.gz OJVAPXAMMHYPRZ-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000270804951 188375805 /nfs/dbraw/zinc/37/58/05/188375805.db2.gz OJVAPXAMMHYPRZ-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC(=O)c1ccc(NCc2[nH+]ccn2C)nc1 ZINC000271621610 188375817 /nfs/dbraw/zinc/37/58/17/188375817.db2.gz MGHVOVNVAGDISY-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2CCC23CCC3)n1 ZINC000081515649 353409443 /nfs/dbraw/zinc/40/94/43/353409443.db2.gz NVFYAJBZNDNGCP-VIFPVBQESA-N 1 2 237.303 1.905 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2CCC23CCC3)n1 ZINC000081515649 353409446 /nfs/dbraw/zinc/40/94/46/353409446.db2.gz NVFYAJBZNDNGCP-VIFPVBQESA-N 1 2 237.303 1.905 20 0 BDADLO Cc1ccnc(CSc2nc(N)cc(C)[nH+]2)n1 ZINC000339300860 188368565 /nfs/dbraw/zinc/36/85/65/188368565.db2.gz DAJWEVAKIIKZFR-UHFFFAOYSA-N 1 2 247.327 1.588 20 0 BDADLO COc1ccc(CC[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000263931310 188370883 /nfs/dbraw/zinc/37/08/83/188370883.db2.gz XYNHTCTZRULRSE-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccc(CC[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000263931310 188370885 /nfs/dbraw/zinc/37/08/85/188370885.db2.gz XYNHTCTZRULRSE-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO Cn1nncc1C[N@H+](C)Cc1cccs1 ZINC000271032016 188375934 /nfs/dbraw/zinc/37/59/34/188375934.db2.gz ZCEHIORRXIILSF-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1nncc1C[N@@H+](C)Cc1cccs1 ZINC000271032016 188375935 /nfs/dbraw/zinc/37/59/35/188375935.db2.gz ZCEHIORRXIILSF-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO C/C(=C\C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000290930917 188389749 /nfs/dbraw/zinc/38/97/49/188389749.db2.gz MLWGFUJLIQQZSG-UXBLZVDNSA-N 1 2 231.299 1.582 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(C)s2)C1 ZINC000291465587 188390530 /nfs/dbraw/zinc/39/05/30/188390530.db2.gz OHTGUOKSBZPEDZ-UHFFFAOYSA-N 1 2 224.329 1.377 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccns2)[C@@H](C(N)=O)C1 ZINC000639088890 353442673 /nfs/dbraw/zinc/44/26/73/353442673.db2.gz HSETZUJZFZYEAA-PSASIEDQSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccns2)[C@@H](C(N)=O)C1 ZINC000639088890 353442674 /nfs/dbraw/zinc/44/26/74/353442674.db2.gz HSETZUJZFZYEAA-PSASIEDQSA-N 1 2 239.344 1.229 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2occc2C)[C@H](C)C1 ZINC000271157731 188376110 /nfs/dbraw/zinc/37/61/10/188376110.db2.gz BYVQSGBJTDBELD-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2occc2C)[C@H](C)C1 ZINC000271157731 188376112 /nfs/dbraw/zinc/37/61/12/188376112.db2.gz BYVQSGBJTDBELD-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1nc(CN(C)c2cc[nH+]c(C)n2)no1 ZINC000272873824 188377692 /nfs/dbraw/zinc/37/76/92/188377692.db2.gz DTDGZXHQHXYFAJ-UHFFFAOYSA-N 1 2 219.248 1.113 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccno1 ZINC000275380414 188379311 /nfs/dbraw/zinc/37/93/11/188379311.db2.gz AYGCBJKXDODCPW-LLVKDONJSA-N 1 2 237.303 1.021 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccno1 ZINC000275380414 188379312 /nfs/dbraw/zinc/37/93/12/188379312.db2.gz AYGCBJKXDODCPW-LLVKDONJSA-N 1 2 237.303 1.021 20 0 BDADLO CC(C)[C@@H]1OCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000278197080 188381113 /nfs/dbraw/zinc/38/11/13/188381113.db2.gz UEEKZLZQHAKDKT-KOLCDFICSA-N 1 2 237.303 1.087 20 0 BDADLO CC(C)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279235192 188382301 /nfs/dbraw/zinc/38/23/01/188382301.db2.gz QUXFNWITZTYDRX-VIFPVBQESA-N 1 2 209.293 1.503 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC=C(F)C1 ZINC000281295825 188384426 /nfs/dbraw/zinc/38/44/26/188384426.db2.gz SXESVPUWDDHAJX-UHFFFAOYSA-N 1 2 237.278 1.438 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](O)C2)no1 ZINC000283973230 188385521 /nfs/dbraw/zinc/38/55/21/188385521.db2.gz MBAADTTXPYXTIU-SNVBAGLBSA-N 1 2 224.304 1.539 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](O)C2)no1 ZINC000283973230 188385523 /nfs/dbraw/zinc/38/55/23/188385523.db2.gz MBAADTTXPYXTIU-SNVBAGLBSA-N 1 2 224.304 1.539 20 0 BDADLO CC1(C)C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283587824 188385997 /nfs/dbraw/zinc/38/59/97/188385997.db2.gz XBOJLIAEKRCNNQ-CDAZIORVSA-N 1 2 205.261 1.338 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H]1CO ZINC000287442775 188388707 /nfs/dbraw/zinc/38/87/07/188388707.db2.gz HMHAWJCDDOGEDZ-LLVKDONJSA-N 1 2 249.314 1.687 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000289943219 188389502 /nfs/dbraw/zinc/38/95/02/188389502.db2.gz XHSNPGMNXYYLMY-LBPRGKRZSA-N 1 2 239.294 1.280 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000289943219 188389504 /nfs/dbraw/zinc/38/95/04/188389504.db2.gz XHSNPGMNXYYLMY-LBPRGKRZSA-N 1 2 239.294 1.280 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000398388767 363229051 /nfs/dbraw/zinc/22/90/51/363229051.db2.gz WGGBPADEVQETTL-WDEREUQCSA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000398388767 363229053 /nfs/dbraw/zinc/22/90/53/363229053.db2.gz WGGBPADEVQETTL-WDEREUQCSA-N 1 2 220.320 1.863 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)cc(=O)[nH]1 ZINC000341758074 188398661 /nfs/dbraw/zinc/39/86/61/188398661.db2.gz XZZAQQRVRSKEJJ-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO CC(=O)N1CC[NH+](Cc2csc(C)c2)CC1 ZINC000294547271 188392273 /nfs/dbraw/zinc/39/22/73/188392273.db2.gz JVLLGRVZGLSMDL-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CC(C)[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294381173 188392828 /nfs/dbraw/zinc/39/28/28/188392828.db2.gz MBXJZWAPHBUYIJ-UWVGGRQHSA-N 1 2 238.335 1.726 20 0 BDADLO CC(C)[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294381173 188392830 /nfs/dbraw/zinc/39/28/30/188392830.db2.gz MBXJZWAPHBUYIJ-UWVGGRQHSA-N 1 2 238.335 1.726 20 0 BDADLO CC(C)[N@H+](Cc1ccc(F)cn1)C1COC1 ZINC000295577534 188393039 /nfs/dbraw/zinc/39/30/39/188393039.db2.gz ZFLCYVHZYRUCQM-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)[N@@H+](Cc1ccc(F)cn1)C1COC1 ZINC000295577534 188393042 /nfs/dbraw/zinc/39/30/42/188393042.db2.gz ZFLCYVHZYRUCQM-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO Cc1nocc1C[N@@H+](C(C)C)C1COC1 ZINC000296042197 188394181 /nfs/dbraw/zinc/39/41/81/188394181.db2.gz OBFQHMQIKNYIPF-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@H+](C(C)C)C1COC1 ZINC000296042197 188394183 /nfs/dbraw/zinc/39/41/83/188394183.db2.gz OBFQHMQIKNYIPF-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO CC[C@@](C)(C[N@@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639095266 353479742 /nfs/dbraw/zinc/47/97/42/353479742.db2.gz MPULWBPXWACINF-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@](C)(C[N@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639095266 353479744 /nfs/dbraw/zinc/47/97/44/353479744.db2.gz MPULWBPXWACINF-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO COCCN(CCOC)c1cccc[nH+]1 ZINC000298213704 188394628 /nfs/dbraw/zinc/39/46/28/188394628.db2.gz XROLTGWVCITGTD-UHFFFAOYSA-N 1 2 210.277 1.181 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C)c2)oc1C ZINC000230640064 353519816 /nfs/dbraw/zinc/51/98/16/353519816.db2.gz ZJHUEINSQYOWAO-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO C[C@@]1(C[NH2+]Cc2c[nH]nn2)CCCS1 ZINC000398408152 363232406 /nfs/dbraw/zinc/23/24/06/363232406.db2.gz REONXSORHHKGGI-VIFPVBQESA-N 1 2 212.322 1.180 20 0 BDADLO C[C@@]1(C[NH2+]Cc2cn[nH]n2)CCCS1 ZINC000398408152 363232413 /nfs/dbraw/zinc/23/24/13/363232413.db2.gz REONXSORHHKGGI-VIFPVBQESA-N 1 2 212.322 1.180 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H](CO)C(C)(C)C)no1 ZINC000134392913 353495895 /nfs/dbraw/zinc/49/58/95/353495895.db2.gz RWIBOEWCUXBCMJ-VIFPVBQESA-N 1 2 241.335 1.471 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)no1 ZINC000134392913 353495900 /nfs/dbraw/zinc/49/59/00/353495900.db2.gz RWIBOEWCUXBCMJ-VIFPVBQESA-N 1 2 241.335 1.471 20 0 BDADLO CCC[C@@H](CCO)CNc1cc(C)[nH+]cn1 ZINC000231151763 353569200 /nfs/dbraw/zinc/56/92/00/353569200.db2.gz VTPWBOKRHINKAK-NSHDSACASA-N 1 2 223.320 1.996 20 0 BDADLO C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN(C2CC2)C1 ZINC000343313947 353624225 /nfs/dbraw/zinc/62/42/25/353624225.db2.gz LALAAIRTIJZEEI-AWEZNQCLSA-N 1 2 248.374 1.442 20 0 BDADLO CCN(C)C(=O)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000231865691 353664865 /nfs/dbraw/zinc/66/48/65/353664865.db2.gz GYJQYTFAWBAKPY-SECBINFHSA-N 1 2 222.292 1.064 20 0 BDADLO CCc1cc(N(CC)C2COC2)nc(C)[nH+]1 ZINC000564168512 324187224 /nfs/dbraw/zinc/18/72/24/324187224.db2.gz NNVQBXJMOZVXLC-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO Fc1cccc(NCCCn2cc[nH+]c2)n1 ZINC000040711582 181002260 /nfs/dbraw/zinc/00/22/60/181002260.db2.gz OCCORUNNNQWFMU-UHFFFAOYSA-N 1 2 220.251 1.919 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2C[C@H](O)C2(C)C)no1 ZINC000580343428 353764680 /nfs/dbraw/zinc/76/46/80/353764680.db2.gz OOJOPXXXWURJSM-IUCAKERBSA-N 1 2 239.319 1.271 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)no1 ZINC000580343427 353765098 /nfs/dbraw/zinc/76/50/98/353765098.db2.gz OOJOPXXXWURJSM-DTWKUNHWSA-N 1 2 239.319 1.271 20 0 BDADLO Cc1nnc(C[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000195505954 353765598 /nfs/dbraw/zinc/76/55/98/353765598.db2.gz MJIZTUXPSDPIKY-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1ncc([C@H](C)[N@@H+]2CCOC[C@H]2C)c(C)n1 ZINC000639125561 353820111 /nfs/dbraw/zinc/82/01/11/353820111.db2.gz NNNAVNSRMXUXDF-KOLCDFICSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@H](C)[N@H+]2CCOC[C@H]2C)c(C)n1 ZINC000639125561 353820114 /nfs/dbraw/zinc/82/01/14/353820114.db2.gz NNNAVNSRMXUXDF-KOLCDFICSA-N 1 2 235.331 1.875 20 0 BDADLO Fc1cnc(NCCCNc2cccc[nH+]2)nc1 ZINC000119167030 181017962 /nfs/dbraw/zinc/01/79/62/181017962.db2.gz QCKQQSKUUKWYEH-UHFFFAOYSA-N 1 2 247.277 1.925 20 0 BDADLO Cc1nc(N2CC[C@@H](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000343425678 353882588 /nfs/dbraw/zinc/88/25/88/353882588.db2.gz LUMZKJPKSXTNEO-LLVKDONJSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C3CC3)C2)[nH+]1 ZINC000343425678 353882590 /nfs/dbraw/zinc/88/25/90/353882590.db2.gz LUMZKJPKSXTNEO-LLVKDONJSA-N 1 2 247.346 1.482 20 0 BDADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCOCC12CC2 ZINC000639142573 353850336 /nfs/dbraw/zinc/85/03/36/353850336.db2.gz FDXCEPTZYKLAFH-LBPRGKRZSA-N 1 2 247.342 1.736 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)OC(C)C ZINC000343624067 353947413 /nfs/dbraw/zinc/94/74/13/353947413.db2.gz FDRYYKOTFIUKJA-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)OC(C)C ZINC000343624067 353947416 /nfs/dbraw/zinc/94/74/16/353947416.db2.gz FDRYYKOTFIUKJA-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO CC[C@@H](F)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343737908 353968770 /nfs/dbraw/zinc/96/87/70/353968770.db2.gz BGODLVXWHGOMTG-SECBINFHSA-N 1 2 242.298 1.438 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCC=C(C)C2)[nH]1 ZINC000334547036 353984767 /nfs/dbraw/zinc/98/47/67/353984767.db2.gz BWUFDABGWZAHBP-VIFPVBQESA-N 1 2 206.293 1.826 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCC=C(C)C2)[nH]1 ZINC000334547036 353984770 /nfs/dbraw/zinc/98/47/70/353984770.db2.gz BWUFDABGWZAHBP-VIFPVBQESA-N 1 2 206.293 1.826 20 0 BDADLO CCn1nncc1C[N@@H+]1CCc2ccccc2C1 ZINC000334555313 354000032 /nfs/dbraw/zinc/00/00/32/354000032.db2.gz UPTXAMOAVGGXNW-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1nncc1C[N@H+]1CCc2ccccc2C1 ZINC000334555313 354000036 /nfs/dbraw/zinc/00/00/36/354000036.db2.gz UPTXAMOAVGGXNW-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1cscn1 ZINC000343812476 354011742 /nfs/dbraw/zinc/01/17/42/354011742.db2.gz CLDDOACHZSUEJS-UHFFFAOYSA-N 1 2 248.311 1.380 20 0 BDADLO C[C@H](C(=O)N1[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000343910328 354038915 /nfs/dbraw/zinc/03/89/15/354038915.db2.gz CTHQKZJYUZUVSD-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CC=CCC1 ZINC000344032875 354096867 /nfs/dbraw/zinc/09/68/67/354096867.db2.gz FAMNDTYFNPKBDS-SECBINFHSA-N 1 2 222.292 1.298 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@@H]1CC=CCC1 ZINC000344032875 354096868 /nfs/dbraw/zinc/09/68/68/354096868.db2.gz FAMNDTYFNPKBDS-SECBINFHSA-N 1 2 222.292 1.298 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1 ZINC000344113464 354140808 /nfs/dbraw/zinc/14/08/08/354140808.db2.gz BVEGWLDHENHROO-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)no1 ZINC000344138355 354151214 /nfs/dbraw/zinc/15/12/14/354151214.db2.gz XSSMWXYITHNXFS-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)no1 ZINC000344138355 354151216 /nfs/dbraw/zinc/15/12/16/354151216.db2.gz XSSMWXYITHNXFS-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(F)cc1 ZINC000344229482 354184872 /nfs/dbraw/zinc/18/48/72/354184872.db2.gz XGQFWAFBKCMVGG-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000344230333 354184963 /nfs/dbraw/zinc/18/49/63/354184963.db2.gz JLACPUXPKXMOQK-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO CO[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000231684489 363348772 /nfs/dbraw/zinc/34/87/72/363348772.db2.gz BSWLWUJSBITYCL-ZJUUUORDSA-N 1 2 207.277 1.764 20 0 BDADLO CCCN(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334592468 354247720 /nfs/dbraw/zinc/24/77/20/354247720.db2.gz DDVDLLMMFLPWQW-VIFPVBQESA-N 1 2 236.319 1.318 20 0 BDADLO CCCN(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334592468 354247721 /nfs/dbraw/zinc/24/77/21/354247721.db2.gz DDVDLLMMFLPWQW-VIFPVBQESA-N 1 2 236.319 1.318 20 0 BDADLO Cn1ncnc1C[NH+]1CC2(C1)CCCC2 ZINC000639179991 354260308 /nfs/dbraw/zinc/26/03/08/354260308.db2.gz DQYNDMNMJNARBM-UHFFFAOYSA-N 1 2 206.293 1.191 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)nn2C)C[C@@H](C)O1 ZINC000334595888 354229160 /nfs/dbraw/zinc/22/91/60/354229160.db2.gz HHFXLYCIKIFOHT-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)C[C@@H](C)O1 ZINC000334595888 354229163 /nfs/dbraw/zinc/22/91/63/354229163.db2.gz HHFXLYCIKIFOHT-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000334596526 354230062 /nfs/dbraw/zinc/23/00/62/354230062.db2.gz FCMJKKOQMRGRDD-QWHCGFSZSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000334596526 354230064 /nfs/dbraw/zinc/23/00/64/354230064.db2.gz FCMJKKOQMRGRDD-QWHCGFSZSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000334596526 354230068 /nfs/dbraw/zinc/23/00/68/354230068.db2.gz FCMJKKOQMRGRDD-QWHCGFSZSA-N 1 2 235.331 1.656 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)n(C)n1 ZINC000334596658 354230647 /nfs/dbraw/zinc/23/06/47/354230647.db2.gz GOARWNJWFMMUGW-OLZOCXBDSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)n(C)n1 ZINC000334596658 354230648 /nfs/dbraw/zinc/23/06/48/354230648.db2.gz GOARWNJWFMMUGW-OLZOCXBDSA-N 1 2 235.331 1.482 20 0 BDADLO CCc1csc(N2CCn3c[nH+]cc3C2)n1 ZINC000334603531 354283800 /nfs/dbraw/zinc/28/38/00/354283800.db2.gz RKOHZBKWXKYGNI-UHFFFAOYSA-N 1 2 234.328 1.922 20 0 BDADLO COC1(C)C[NH+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000639181092 354292950 /nfs/dbraw/zinc/29/29/50/354292950.db2.gz RJAJIFDOBAXJII-SNVBAGLBSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334617276 354304419 /nfs/dbraw/zinc/30/44/19/354304419.db2.gz TXVNZLZKYUCCMD-SECBINFHSA-N 1 2 244.298 1.334 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334617276 354304422 /nfs/dbraw/zinc/30/44/22/354304422.db2.gz TXVNZLZKYUCCMD-SECBINFHSA-N 1 2 244.298 1.334 20 0 BDADLO CCn1ncnc1C[NH+]1CC2(C1)CCCC2 ZINC000639181576 354309665 /nfs/dbraw/zinc/30/96/65/354309665.db2.gz UYOKFWVOWGXHRQ-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CCC[C@@H](OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000577972674 366154545 /nfs/dbraw/zinc/15/45/45/366154545.db2.gz VWJFERABBKPKSU-LLVKDONJSA-N 1 2 237.303 1.082 20 0 BDADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000178733311 366158964 /nfs/dbraw/zinc/15/89/64/366158964.db2.gz SIGLDGYCIRSVAR-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)C(=O)NC(C)(C)C ZINC000086453731 491061671 /nfs/dbraw/zinc/06/16/71/491061671.db2.gz KNJZIWYOJSEVLC-MRVPVSSYSA-N 1 2 225.292 1.067 20 0 BDADLO COC(=O)C[N@@H+]1CCOCC12CCCCC2 ZINC000334630712 354373444 /nfs/dbraw/zinc/37/34/44/354373444.db2.gz XVVDBNHTWYRVQK-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO COC(=O)C[N@H+]1CCOCC12CCCCC2 ZINC000334630712 354373447 /nfs/dbraw/zinc/37/34/47/354373447.db2.gz XVVDBNHTWYRVQK-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO CNC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334632481 354375407 /nfs/dbraw/zinc/37/54/07/354375407.db2.gz DTDFINFKPVCBDY-LBPRGKRZSA-N 1 2 234.299 1.553 20 0 BDADLO CNC(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334632481 354375411 /nfs/dbraw/zinc/37/54/11/354375411.db2.gz DTDFINFKPVCBDY-LBPRGKRZSA-N 1 2 234.299 1.553 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334633060 354376913 /nfs/dbraw/zinc/37/69/13/354376913.db2.gz GWGCTORQUGGTCZ-PWSUYJOCSA-N 1 2 246.310 1.695 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334633060 354376915 /nfs/dbraw/zinc/37/69/15/354376915.db2.gz GWGCTORQUGGTCZ-PWSUYJOCSA-N 1 2 246.310 1.695 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC(C)(CO)C1 ZINC000334687333 354433737 /nfs/dbraw/zinc/43/37/37/354433737.db2.gz VPUZEBVSVVJQGM-UHFFFAOYSA-N 1 2 249.289 1.531 20 0 BDADLO CC[C@H](CCO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179046387 366201147 /nfs/dbraw/zinc/20/11/47/366201147.db2.gz HNMDCEXIAIWNTG-LLVKDONJSA-N 1 2 247.298 1.225 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cn2)[C@H]1C ZINC000344977877 354405026 /nfs/dbraw/zinc/40/50/26/354405026.db2.gz DZCZPDLBWMBRKA-UWVGGRQHSA-N 1 2 235.287 1.173 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334749931 354475381 /nfs/dbraw/zinc/47/53/81/354475381.db2.gz RTZRRRPPVAXUMB-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO O=C1[C@H]([N@@H+]2CC[C@@H](F)C2)CCN1c1ccccc1 ZINC000334697467 354489245 /nfs/dbraw/zinc/48/92/45/354489245.db2.gz CORMENWHIXZFDZ-DGCLKSJQSA-N 1 2 248.301 1.836 20 0 BDADLO O=C1[C@H]([N@H+]2CC[C@@H](F)C2)CCN1c1ccccc1 ZINC000334697467 354489246 /nfs/dbraw/zinc/48/92/46/354489246.db2.gz CORMENWHIXZFDZ-DGCLKSJQSA-N 1 2 248.301 1.836 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1cncs1 ZINC000334711507 354508268 /nfs/dbraw/zinc/50/82/68/354508268.db2.gz UIXYELPHGGPBIV-UHFFFAOYSA-N 1 2 233.296 1.450 20 0 BDADLO Cc1cc(C)c(NC(=O)N[C@H](C)CO)c(C)[nH+]1 ZINC000334714446 354512703 /nfs/dbraw/zinc/51/27/03/354512703.db2.gz GAMQQKBDVUUQQY-SECBINFHSA-N 1 2 237.303 1.509 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000334799180 354554873 /nfs/dbraw/zinc/55/48/73/354554873.db2.gz DPOAZTJPICNDDU-SECBINFHSA-N 1 2 221.304 1.139 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000334799180 354554878 /nfs/dbraw/zinc/55/48/78/354554878.db2.gz DPOAZTJPICNDDU-SECBINFHSA-N 1 2 221.304 1.139 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000334808596 354565628 /nfs/dbraw/zinc/56/56/28/354565628.db2.gz GRMNSBMSZJYYJM-NXEZZACHSA-N 1 2 214.284 1.040 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000334808596 354565630 /nfs/dbraw/zinc/56/56/30/354565630.db2.gz GRMNSBMSZJYYJM-NXEZZACHSA-N 1 2 214.284 1.040 20 0 BDADLO CCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345375598 354656855 /nfs/dbraw/zinc/65/68/55/354656855.db2.gz DYQHOGKQRJFJMI-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO c1cnc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)ccc2n1 ZINC000639201829 354606388 /nfs/dbraw/zinc/60/63/88/354606388.db2.gz NLZSLEFSMPDMPY-UONOGXRCSA-N 1 2 241.294 1.603 20 0 BDADLO c1cnc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]43)ccc2n1 ZINC000639201829 354606391 /nfs/dbraw/zinc/60/63/91/354606391.db2.gz NLZSLEFSMPDMPY-UONOGXRCSA-N 1 2 241.294 1.603 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@H](C)O2)c[nH+]1 ZINC000335083408 354616907 /nfs/dbraw/zinc/61/69/07/354616907.db2.gz IDAOKTUYKLUICH-IONNQARKSA-N 1 2 223.276 1.015 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000335089448 354624439 /nfs/dbraw/zinc/62/44/39/354624439.db2.gz FTXJJOLJZZIPKO-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO CN(C)c1[nH+]cc(CN2CC[C@](C)(F)C2)n1C ZINC000335089740 354624770 /nfs/dbraw/zinc/62/47/70/354624770.db2.gz YXBQZCFPQPMFEN-LBPRGKRZSA-N 1 2 240.326 1.420 20 0 BDADLO FC(F)[C@@H]1CCCC[N@@H+]1C[C@@H]1COCCO1 ZINC000335129695 354776568 /nfs/dbraw/zinc/77/65/68/354776568.db2.gz JLAHQIPAOVUFGX-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@@H]1CCCC[N@H+]1C[C@@H]1COCCO1 ZINC000335129695 354776570 /nfs/dbraw/zinc/77/65/70/354776570.db2.gz JLAHQIPAOVUFGX-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO Cc1ncc([C@H](C)[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000639209302 354738587 /nfs/dbraw/zinc/73/85/87/354738587.db2.gz ASFLQKKITAYJKU-KOLCDFICSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@H](C)[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000639209302 354738589 /nfs/dbraw/zinc/73/85/89/354738589.db2.gz ASFLQKKITAYJKU-KOLCDFICSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[S@](=O)[C@H](C)C2)c1 ZINC000335945241 134019810 /nfs/dbraw/zinc/01/98/10/134019810.db2.gz NKBWNMRGRHPHSS-WBMJQRKESA-N 1 2 237.368 1.948 20 0 BDADLO Cc1cccc(C[N@H+]2CC[S@](=O)[C@H](C)C2)c1 ZINC000335945241 134019811 /nfs/dbraw/zinc/01/98/11/134019811.db2.gz NKBWNMRGRHPHSS-WBMJQRKESA-N 1 2 237.368 1.948 20 0 BDADLO COC(C)(C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927987 491069011 /nfs/dbraw/zinc/06/90/11/491069011.db2.gz VEPDSXPRDXWUDU-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000346315988 354893813 /nfs/dbraw/zinc/89/38/13/354893813.db2.gz VHCWMXHXJQJSJK-UHFFFAOYSA-N 1 2 223.320 1.802 20 0 BDADLO COC(C)(C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927987 491069012 /nfs/dbraw/zinc/06/90/12/491069012.db2.gz VEPDSXPRDXWUDU-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CCCSC2 ZINC000335162208 354914447 /nfs/dbraw/zinc/91/44/47/354914447.db2.gz QLHQEPSSJUBLJF-NSHDSACASA-N 1 2 228.361 1.440 20 0 BDADLO CN1CC[C@@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335165066 354921662 /nfs/dbraw/zinc/92/16/62/354921662.db2.gz CQMAJJQQKIGHLK-GFCCVEGCSA-N 1 2 234.274 1.372 20 0 BDADLO CN1CC[C@@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335165066 354921663 /nfs/dbraw/zinc/92/16/63/354921663.db2.gz CQMAJJQQKIGHLK-GFCCVEGCSA-N 1 2 234.274 1.372 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000335168490 354928973 /nfs/dbraw/zinc/92/89/73/354928973.db2.gz GYADQMKJCVCCRT-QWRGUYRKSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000335176805 354945788 /nfs/dbraw/zinc/94/57/88/354945788.db2.gz QJANYLWQBRHYHJ-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000335176805 354945794 /nfs/dbraw/zinc/94/57/94/354945794.db2.gz QJANYLWQBRHYHJ-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000623201814 354954802 /nfs/dbraw/zinc/95/48/02/354954802.db2.gz JOAIFDXFYXZYJY-ONGXEEELSA-N 1 2 233.315 1.772 20 0 BDADLO Cc1cc(N2C[C@@H](C)OC[C@H]2C)nc[nH+]1 ZINC000346596819 354988449 /nfs/dbraw/zinc/98/84/49/354988449.db2.gz VCHANPIPHSJICK-NXEZZACHSA-N 1 2 207.277 1.399 20 0 BDADLO CC1(C)CCN(c2cccc[nH+]2)CC[S@]1=O ZINC000335200661 355034787 /nfs/dbraw/zinc/03/47/87/355034787.db2.gz YUZGUTOPLYODST-MRXNPFEDSA-N 1 2 238.356 1.819 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)CCc1c[nH+]cn1C ZINC000335201986 355036080 /nfs/dbraw/zinc/03/60/80/355036080.db2.gz ZXSLPZINYSOJIY-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335202741 355036633 /nfs/dbraw/zinc/03/66/33/355036633.db2.gz MFCDDLAIMQLRGX-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335202741 355036639 /nfs/dbraw/zinc/03/66/39/355036639.db2.gz MFCDDLAIMQLRGX-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)C[C@@H]2F)cc[nH+]1 ZINC000335228951 355070674 /nfs/dbraw/zinc/07/06/74/355070674.db2.gz DLWUDZSZYBLBJD-ONGXEEELSA-N 1 2 208.236 1.499 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1[nH]ncc1C ZINC000335180722 355078118 /nfs/dbraw/zinc/07/81/18/355078118.db2.gz PBGVPMOWTDKGLJ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1[nH]ncc1C ZINC000335180722 355078119 /nfs/dbraw/zinc/07/81/19/355078119.db2.gz PBGVPMOWTDKGLJ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1n[nH]cc1C ZINC000335180722 355078122 /nfs/dbraw/zinc/07/81/22/355078122.db2.gz PBGVPMOWTDKGLJ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1n[nH]cc1C ZINC000335180722 355078123 /nfs/dbraw/zinc/07/81/23/355078123.db2.gz PBGVPMOWTDKGLJ-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000335214675 355052546 /nfs/dbraw/zinc/05/25/46/355052546.db2.gz FTFGAURIQFZDCH-JTQLQIEISA-N 1 2 248.330 1.528 20 0 BDADLO CC(C)c1nc(N[C@@H](C)Cn2cccn2)cc[nH+]1 ZINC000346740687 355090366 /nfs/dbraw/zinc/09/03/66/355090366.db2.gz HFEUDQZSBHMOJQ-NSHDSACASA-N 1 2 245.330 1.719 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000335232327 355093228 /nfs/dbraw/zinc/09/32/28/355093228.db2.gz IXCGOLPYLKSXTO-QMMMGPOBSA-N 1 2 231.255 1.290 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000335232327 355093231 /nfs/dbraw/zinc/09/32/31/355093231.db2.gz IXCGOLPYLKSXTO-QMMMGPOBSA-N 1 2 231.255 1.290 20 0 BDADLO Cc1cc(NC(=O)CCCn2cccn2)cc[nH+]1 ZINC000346837916 355132661 /nfs/dbraw/zinc/13/26/61/355132661.db2.gz DYVBYHJVKXTHLW-UHFFFAOYSA-N 1 2 244.298 1.427 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1nncn1C ZINC000346908311 355150812 /nfs/dbraw/zinc/15/08/12/355150812.db2.gz RTQADMZNFWBIEM-MNOVXSKESA-N 1 2 238.335 1.377 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1nncn1C ZINC000346908311 355150816 /nfs/dbraw/zinc/15/08/16/355150816.db2.gz RTQADMZNFWBIEM-MNOVXSKESA-N 1 2 238.335 1.377 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@]2(C)C[C@@H]2F)n1 ZINC000335250629 355170293 /nfs/dbraw/zinc/17/02/93/355170293.db2.gz QUVLIOKTARYQKJ-GZMMTYOYSA-N 1 2 236.250 1.393 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1O ZINC000335244071 355182064 /nfs/dbraw/zinc/18/20/64/355182064.db2.gz QEYUXGMYXIERCO-LLVKDONJSA-N 1 2 236.315 1.755 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1O ZINC000335244071 355182067 /nfs/dbraw/zinc/18/20/67/355182067.db2.gz QEYUXGMYXIERCO-LLVKDONJSA-N 1 2 236.315 1.755 20 0 BDADLO COC[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413152784 191356727 /nfs/dbraw/zinc/35/67/27/191356727.db2.gz JCNVIVIKTXQKDA-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO COC[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413152784 191356730 /nfs/dbraw/zinc/35/67/30/191356730.db2.gz JCNVIVIKTXQKDA-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@@H+]1CCOC[C@H]1C ZINC000413000486 191335006 /nfs/dbraw/zinc/33/50/06/191335006.db2.gz PDQZQZZRVKNTIB-MWLCHTKSSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@@H](C)SCC[N@H+]1CCOC[C@H]1C ZINC000413000486 191335008 /nfs/dbraw/zinc/33/50/08/191335008.db2.gz PDQZQZZRVKNTIB-MWLCHTKSSA-N 1 2 231.361 1.418 20 0 BDADLO CO[C@@H]1COC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000413464458 191382172 /nfs/dbraw/zinc/38/21/72/191382172.db2.gz ZSBFVVVPCBPBAO-CMPLNLGQSA-N 1 2 247.298 1.399 20 0 BDADLO CCS(=O)(=O)CCCNc1cccc[nH+]1 ZINC000413572011 191395118 /nfs/dbraw/zinc/39/51/18/191395118.db2.gz JHXXZMUIIBBNKC-UHFFFAOYSA-N 1 2 228.317 1.318 20 0 BDADLO COC1([C@@H](C)Nc2cc[nH+]c(C)n2)CCC1 ZINC000413555225 191397108 /nfs/dbraw/zinc/39/71/08/191397108.db2.gz CVQSTDZNXFDTLX-SECBINFHSA-N 1 2 221.304 1.576 20 0 BDADLO FC1(F)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413238512 191363686 /nfs/dbraw/zinc/36/36/86/191363686.db2.gz YFGCHPSCYVTLRJ-UHFFFAOYSA-N 1 2 240.257 1.896 20 0 BDADLO FC1(F)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413238512 191363688 /nfs/dbraw/zinc/36/36/88/191363688.db2.gz YFGCHPSCYVTLRJ-UHFFFAOYSA-N 1 2 240.257 1.896 20 0 BDADLO COC1([C@H](C)Nc2cc[nH+]c(C)n2)CCC1 ZINC000413555227 191397602 /nfs/dbraw/zinc/39/76/02/191397602.db2.gz CVQSTDZNXFDTLX-VIFPVBQESA-N 1 2 221.304 1.576 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000413386395 191378168 /nfs/dbraw/zinc/37/81/68/191378168.db2.gz KCBXUOVKASPWEF-AOOOYVTPSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@]2(C)C(C)C)[nH+]1 ZINC000413428420 191379330 /nfs/dbraw/zinc/37/93/30/191379330.db2.gz BKIITYZEQOHJSS-ZWNOBZJWSA-N 1 2 249.362 1.514 20 0 BDADLO Cc1nc(N[C@@H]2C[C@]2(C)C(C)C)nc(N(C)C)[nH+]1 ZINC000413428420 191379332 /nfs/dbraw/zinc/37/93/32/191379332.db2.gz BKIITYZEQOHJSS-ZWNOBZJWSA-N 1 2 249.362 1.514 20 0 BDADLO COc1ncc(C[NH+]2CC(C(F)F)C2)s1 ZINC000639252761 355289517 /nfs/dbraw/zinc/28/95/17/355289517.db2.gz SQPJRKDVBUOVBU-UHFFFAOYSA-N 1 2 234.271 1.849 20 0 BDADLO CC1(O)C[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000639253848 355293232 /nfs/dbraw/zinc/29/32/32/355293232.db2.gz SDIPNDKFUZKRQP-UHFFFAOYSA-N 1 2 233.271 1.236 20 0 BDADLO CC1(CO)C[NH+](Cc2ccnn2CC2CCC2)C1 ZINC000639254830 355294117 /nfs/dbraw/zinc/29/41/17/355294117.db2.gz CMUUIYGJXFVHNF-UHFFFAOYSA-N 1 2 249.358 1.497 20 0 BDADLO COCCC1(C)C[NH+](Cc2ccon2)C1 ZINC000639254848 355294383 /nfs/dbraw/zinc/29/43/83/355294383.db2.gz DCGUNNDRDKINPE-UHFFFAOYSA-N 1 2 210.277 1.533 20 0 BDADLO CC1(CO)C[NH+](Cc2nc3ccccc3o2)C1 ZINC000639254916 355294895 /nfs/dbraw/zinc/29/48/95/355294895.db2.gz GVEREABVRNVQSL-UHFFFAOYSA-N 1 2 232.283 1.642 20 0 BDADLO CC1(CO)C[NH+](Cc2cc(C3CC3)no2)C1 ZINC000639255640 355296441 /nfs/dbraw/zinc/29/64/41/355296441.db2.gz VMFSINWMVQMSQT-UHFFFAOYSA-N 1 2 222.288 1.366 20 0 BDADLO CO[C@@H](CC(C)C)C[NH+]1CC(OC(F)F)C1 ZINC000639269016 355330504 /nfs/dbraw/zinc/33/05/04/355330504.db2.gz YXYCWPODFOOPCZ-VIFPVBQESA-N 1 2 237.290 1.971 20 0 BDADLO CO[C@H](C[NH+]1CC(OC(F)F)C1)C1CC1 ZINC000639268968 355330560 /nfs/dbraw/zinc/33/05/60/355330560.db2.gz XDZBZBCPHWRSSB-SECBINFHSA-N 1 2 221.247 1.335 20 0 BDADLO CO[C@@H](C[NH+]1CC(OC(F)F)C1)C1CC1 ZINC000639268969 355330629 /nfs/dbraw/zinc/33/06/29/355330629.db2.gz XDZBZBCPHWRSSB-VIFPVBQESA-N 1 2 221.247 1.335 20 0 BDADLO CCCN1CC(=O)N[C@@H]1c1cc(OC)cc(C)[nH+]1 ZINC000414177212 191453928 /nfs/dbraw/zinc/45/39/28/191453928.db2.gz FTFDAHTYOASGDO-ZDUSSCGKSA-N 1 2 249.314 1.239 20 0 BDADLO CC(C)(C)NC(=O)CCCn1cc[nH+]c1 ZINC000623238257 355380846 /nfs/dbraw/zinc/38/08/46/355380846.db2.gz PXRPPPSPALBCEI-UHFFFAOYSA-N 1 2 209.293 1.578 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cc(C)ns1 ZINC000639284730 355388059 /nfs/dbraw/zinc/38/80/59/355388059.db2.gz AGPFUVFMFRAOBV-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cc(C)ns1 ZINC000639284730 355388064 /nfs/dbraw/zinc/38/80/64/355388064.db2.gz AGPFUVFMFRAOBV-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000335793739 355447698 /nfs/dbraw/zinc/44/76/98/355447698.db2.gz KYEDFEJPJZSUAC-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO C[NH2+]Cc1noc(C[C@H]2CCC[C@@H]2C)n1 ZINC000414644431 191541543 /nfs/dbraw/zinc/54/15/43/191541543.db2.gz OFGVCCKDKQQXFS-DTWKUNHWSA-N 1 2 209.293 1.768 20 0 BDADLO Cc1[nH]nc2ncc(C[N@@H+]3CCO[C@@H](C)C3)cc12 ZINC000349750046 355423241 /nfs/dbraw/zinc/42/32/41/355423241.db2.gz SFFYAKBLVWJIHR-VIFPVBQESA-N 1 2 246.314 1.487 20 0 BDADLO Cc1[nH]nc2ncc(C[N@H+]3CCO[C@@H](C)C3)cc12 ZINC000349750046 355423245 /nfs/dbraw/zinc/42/32/45/355423245.db2.gz SFFYAKBLVWJIHR-VIFPVBQESA-N 1 2 246.314 1.487 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000335796797 355453474 /nfs/dbraw/zinc/45/34/74/355453474.db2.gz PFFGFTBUWBVMKK-MRVPVSSYSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000335796797 355453476 /nfs/dbraw/zinc/45/34/76/355453476.db2.gz PFFGFTBUWBVMKK-MRVPVSSYSA-N 1 2 247.125 1.955 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCS(=O)CC1 ZINC000335798164 355455974 /nfs/dbraw/zinc/45/59/74/355455974.db2.gz PAIYYRHQLFXLOB-UHFFFAOYSA-N 1 2 241.360 1.028 20 0 BDADLO C[C@]1(F)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000335814807 355503722 /nfs/dbraw/zinc/50/37/22/355503722.db2.gz JAMFYBJQAXVOFK-ZDUSSCGKSA-N 1 2 247.273 1.908 20 0 BDADLO Cc1cnc(N(C)Cc2[nH+]ccn2C)s1 ZINC000335807705 355481182 /nfs/dbraw/zinc/48/11/82/355481182.db2.gz XSMWTTOCYHKNQE-UHFFFAOYSA-N 1 2 222.317 1.821 20 0 BDADLO COc1cc(C[NH+]2CC3(CC3(F)F)C2)sn1 ZINC000639294406 355561063 /nfs/dbraw/zinc/56/10/63/355561063.db2.gz FDGCASYNTBFMJV-UHFFFAOYSA-N 1 2 246.282 1.993 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC(C)(C)C1 ZINC000349860108 355507085 /nfs/dbraw/zinc/50/70/85/355507085.db2.gz DLCMZGWQZTWZGX-SNVBAGLBSA-N 1 2 235.331 1.824 20 0 BDADLO CC(C)CCn1cccc1C[N@H+](C)CC(N)=O ZINC000349860049 355507158 /nfs/dbraw/zinc/50/71/58/355507158.db2.gz CLBQYFLAIQXNMS-UHFFFAOYSA-N 1 2 237.347 1.451 20 0 BDADLO CC(C)CCn1cccc1C[N@@H+](C)CC(N)=O ZINC000349860049 355507162 /nfs/dbraw/zinc/50/71/62/355507162.db2.gz CLBQYFLAIQXNMS-UHFFFAOYSA-N 1 2 237.347 1.451 20 0 BDADLO C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1nnc[nH]1 ZINC000349906642 355523798 /nfs/dbraw/zinc/52/37/98/355523798.db2.gz XNKDPVIIRKMELM-LURJTMIESA-N 1 2 229.247 1.249 20 0 BDADLO C[NH2+]Cc1noc(CCNc2ccccc2C)n1 ZINC000349910852 355524646 /nfs/dbraw/zinc/52/46/46/355524646.db2.gz MSTIOQQSWAYKSE-UHFFFAOYSA-N 1 2 246.314 1.752 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000335847369 355591342 /nfs/dbraw/zinc/59/13/42/355591342.db2.gz IFTNAVRYANJPCZ-MRVPVSSYSA-N 1 2 220.272 1.674 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2ccc(O)cc2C1 ZINC000335847369 355591346 /nfs/dbraw/zinc/59/13/46/355591346.db2.gz IFTNAVRYANJPCZ-MRVPVSSYSA-N 1 2 220.272 1.674 20 0 BDADLO CCc1cc(C(=O)NCc2c[nH+]c[nH]2)cc(=O)[nH]1 ZINC000349995477 355572515 /nfs/dbraw/zinc/57/25/15/355572515.db2.gz QSNAUWDFMWCSBQ-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO CCc1cc(C(=O)NCc2c[nH]c[nH+]2)cc(=O)[nH]1 ZINC000349995477 355572518 /nfs/dbraw/zinc/57/25/18/355572518.db2.gz QSNAUWDFMWCSBQ-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO CO[C@](C)(C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000639309100 355664747 /nfs/dbraw/zinc/66/47/47/355664747.db2.gz KNQOZHOJVGGGIK-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@](C)(C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000639309100 355664750 /nfs/dbraw/zinc/66/47/50/355664750.db2.gz KNQOZHOJVGGGIK-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@](C)(C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000639309096 355664945 /nfs/dbraw/zinc/66/49/45/355664945.db2.gz KNQOZHOJVGGGIK-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@](C)(C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000639309096 355664947 /nfs/dbraw/zinc/66/49/47/355664947.db2.gz KNQOZHOJVGGGIK-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CCn1ncnc1CNc1cc(COC)cc[nH+]1 ZINC000639313742 355690187 /nfs/dbraw/zinc/69/01/87/355690187.db2.gz XNFWXVPEKWVEQA-UHFFFAOYSA-N 1 2 247.302 1.452 20 0 BDADLO Cc1nc(NC[C@@](C)(O)C(C)C)cc[nH+]1 ZINC000389604367 355709541 /nfs/dbraw/zinc/70/95/41/355709541.db2.gz XEACBMOFVGNUOP-LLVKDONJSA-N 1 2 209.293 1.026 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+]1Cc2cnn(C)c2C1 ZINC000639321831 355723232 /nfs/dbraw/zinc/72/32/32/355723232.db2.gz MCJDWRARJAAVAD-LBPRGKRZSA-N 1 2 237.347 1.797 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+]1Cc2cnn(C)c2C1 ZINC000639321831 355723237 /nfs/dbraw/zinc/72/32/37/355723237.db2.gz MCJDWRARJAAVAD-LBPRGKRZSA-N 1 2 237.347 1.797 20 0 BDADLO CC(C)n1c[nH+]cc1CN1Cc2cnn(C)c2C1 ZINC000639321698 355722922 /nfs/dbraw/zinc/72/29/22/355722922.db2.gz KSDIANUPZFEXQB-UHFFFAOYSA-N 1 2 245.330 1.713 20 0 BDADLO COc1cc(C[NH2+]Cc2[nH]ncc2C)on1 ZINC000639324088 355718162 /nfs/dbraw/zinc/71/81/62/355718162.db2.gz ITIXXIRUEYYYHV-UHFFFAOYSA-N 1 2 222.248 1.005 20 0 BDADLO COc1cc(C[NH2+]Cc2n[nH]cc2C)on1 ZINC000639324088 355718164 /nfs/dbraw/zinc/71/81/64/355718164.db2.gz ITIXXIRUEYYYHV-UHFFFAOYSA-N 1 2 222.248 1.005 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000335889631 355681489 /nfs/dbraw/zinc/68/14/89/355681489.db2.gz XHXHPASJZWAURM-VIFPVBQESA-N 1 2 208.265 1.218 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000335889631 355681494 /nfs/dbraw/zinc/68/14/94/355681494.db2.gz XHXHPASJZWAURM-VIFPVBQESA-N 1 2 208.265 1.218 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000335889631 355681496 /nfs/dbraw/zinc/68/14/96/355681496.db2.gz XHXHPASJZWAURM-VIFPVBQESA-N 1 2 208.265 1.218 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]1C(N)=O ZINC000335889631 355681501 /nfs/dbraw/zinc/68/15/01/355681501.db2.gz XHXHPASJZWAURM-VIFPVBQESA-N 1 2 208.265 1.218 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335889880 355682641 /nfs/dbraw/zinc/68/26/41/355682641.db2.gz PTZHHEHLLJFLFN-SECBINFHSA-N 1 2 231.259 1.110 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC[C@H]2CCO2)s1 ZINC000639332205 355756944 /nfs/dbraw/zinc/75/69/44/355756944.db2.gz GMVJANRVLOAOIS-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC[C@H]2CCO2)s1 ZINC000639332205 355756945 /nfs/dbraw/zinc/75/69/45/355756945.db2.gz GMVJANRVLOAOIS-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CN1CC[N@H+](C/C=C\c2ccccc2)[C@@H](CO)C1 ZINC000639336423 355771179 /nfs/dbraw/zinc/77/11/79/355771179.db2.gz IUJUHVHGKSFOAK-GTBONMDNSA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C\c2ccccc2)[C@@H](CO)C1 ZINC000639336423 355771183 /nfs/dbraw/zinc/77/11/83/355771183.db2.gz IUJUHVHGKSFOAK-GTBONMDNSA-N 1 2 246.354 1.308 20 0 BDADLO COC[C@@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OC ZINC000582196941 355731265 /nfs/dbraw/zinc/73/12/65/355731265.db2.gz BSYVCMSNNSINMD-WDEREUQCSA-N 1 2 227.304 1.263 20 0 BDADLO COc1cc(C[NH2+]Cc2cnn3c2CCC3)on1 ZINC000639327035 355732680 /nfs/dbraw/zinc/73/26/80/355732680.db2.gz XEJSNCPWEVJUSK-UHFFFAOYSA-N 1 2 248.286 1.116 20 0 BDADLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000628363559 355848280 /nfs/dbraw/zinc/84/82/80/355848280.db2.gz OFBKIMXYFNXWFG-WPRPVWTQSA-N 1 2 226.349 1.424 20 0 BDADLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000628363559 355848282 /nfs/dbraw/zinc/84/82/82/355848282.db2.gz OFBKIMXYFNXWFG-WPRPVWTQSA-N 1 2 226.349 1.424 20 0 BDADLO CC(C)n1ccc(C[C@H](C)[NH2+]Cc2c[nH]nn2)n1 ZINC000628363692 355849445 /nfs/dbraw/zinc/84/94/45/355849445.db2.gz UIYUZQXMBBOAKO-JTQLQIEISA-N 1 2 248.334 1.303 20 0 BDADLO CC(C)n1ccc(C[C@H](C)[NH2+]Cc2cn[nH]n2)n1 ZINC000628363692 355849449 /nfs/dbraw/zinc/84/94/49/355849449.db2.gz UIYUZQXMBBOAKO-JTQLQIEISA-N 1 2 248.334 1.303 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1Cc2ccccc2CO1 ZINC000336036738 134059752 /nfs/dbraw/zinc/05/97/52/134059752.db2.gz XMMDZAIONFULFM-UHFFFAOYSA-N 1 2 243.266 1.357 20 0 BDADLO CCn1ccnc1C[NH+]1CC(COC)(C2CC2)C1 ZINC000639380761 355919854 /nfs/dbraw/zinc/91/98/54/355919854.db2.gz VLIVGDJKGZXEHY-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC=CCC1 ZINC000623256212 355935959 /nfs/dbraw/zinc/93/59/59/355935959.db2.gz BIPQPSJKGLDXSC-FZMZJTMJSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC000389215491 355884109 /nfs/dbraw/zinc/88/41/09/355884109.db2.gz KGLRUOZOBZALEP-NTSWFWBYSA-N 1 2 235.740 1.298 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000352097294 134063873 /nfs/dbraw/zinc/06/38/73/134063873.db2.gz QVKOCZBQRDPXQW-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cncs1)C(C)C ZINC000582227751 355991498 /nfs/dbraw/zinc/99/14/98/355991498.db2.gz WMXHRCUTFWXVKF-JTQLQIEISA-N 1 2 242.344 1.473 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CCCC1 ZINC000336064339 134069596 /nfs/dbraw/zinc/06/95/96/134069596.db2.gz TUZMYEGBPVLHRY-UHFFFAOYSA-N 1 2 207.277 1.525 20 0 BDADLO CC[C@H](C)C[N@H+](C)Cc1noc(CCOC)n1 ZINC000351492270 356001344 /nfs/dbraw/zinc/00/13/44/356001344.db2.gz RGFMNVIZJQLKAB-JTQLQIEISA-N 1 2 241.335 1.736 20 0 BDADLO CC[C@H](C)C[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351492270 356001346 /nfs/dbraw/zinc/00/13/46/356001346.db2.gz RGFMNVIZJQLKAB-JTQLQIEISA-N 1 2 241.335 1.736 20 0 BDADLO CC[N@H+](C[C@H](C)O)[C@@H](C)c1noc(C)n1 ZINC000352114804 134070154 /nfs/dbraw/zinc/07/01/54/134070154.db2.gz DBHTXTHGBUWXHF-YUMQZZPRSA-N 1 2 213.281 1.142 20 0 BDADLO CC[N@@H+](C[C@H](C)O)[C@@H](C)c1noc(C)n1 ZINC000352114804 134070155 /nfs/dbraw/zinc/07/01/55/134070155.db2.gz DBHTXTHGBUWXHF-YUMQZZPRSA-N 1 2 213.281 1.142 20 0 BDADLO COCCc1nc(C[N@@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000351521153 356007619 /nfs/dbraw/zinc/00/76/19/356007619.db2.gz UHBMWDQNEKBFII-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000351521153 356007624 /nfs/dbraw/zinc/00/76/24/356007624.db2.gz UHBMWDQNEKBFII-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO CC(C)[C@H]1C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000351201523 355960578 /nfs/dbraw/zinc/96/05/78/355960578.db2.gz KLOUGYGNNYSSFN-GFCCVEGCSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000351201523 355960585 /nfs/dbraw/zinc/96/05/85/355960585.db2.gz KLOUGYGNNYSSFN-GFCCVEGCSA-N 1 2 242.363 1.210 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608747708 355970516 /nfs/dbraw/zinc/97/05/16/355970516.db2.gz BXGWBFURJZIWON-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608747708 355970517 /nfs/dbraw/zinc/97/05/17/355970517.db2.gz BXGWBFURJZIWON-HRDYMLBCSA-N 1 2 241.253 1.409 20 0 BDADLO COC(=O)c1cn(CCCn2cc[nH+]c2)c(C)n1 ZINC000351667961 356049902 /nfs/dbraw/zinc/04/99/02/356049902.db2.gz OVAXWSJICXLCAY-UHFFFAOYSA-N 1 2 248.286 1.265 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000351547923 356014323 /nfs/dbraw/zinc/01/43/23/356014323.db2.gz NBTWTFMEDYGNSV-QUCGXOGASA-N 1 2 243.310 1.791 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](O)C2)no1 ZINC000351583286 356020772 /nfs/dbraw/zinc/02/07/72/356020772.db2.gz SXUCRGPHNRLTJX-OYNCUSHFSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](C)[C@H](O)C2)no1 ZINC000351583286 356020776 /nfs/dbraw/zinc/02/07/76/356020776.db2.gz SXUCRGPHNRLTJX-OYNCUSHFSA-N 1 2 225.292 1.142 20 0 BDADLO NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014320032 181231198 /nfs/dbraw/zinc/23/11/98/181231198.db2.gz LXXVXCYXLZEGNO-UHFFFAOYSA-N 1 2 246.310 1.067 20 0 BDADLO CC(C)(C)c1cc(C[NH2+]C2(C(N)=O)CC2)no1 ZINC000351592274 356024320 /nfs/dbraw/zinc/02/43/20/356024320.db2.gz JLBIWEOHRANEML-UHFFFAOYSA-N 1 2 237.303 1.080 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000048581316 181232770 /nfs/dbraw/zinc/23/27/70/181232770.db2.gz YZROPEXGJUKOAF-NSHDSACASA-N 1 2 238.718 1.962 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000048581316 181232771 /nfs/dbraw/zinc/23/27/71/181232771.db2.gz YZROPEXGJUKOAF-NSHDSACASA-N 1 2 238.718 1.962 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000365232134 181233496 /nfs/dbraw/zinc/23/34/96/181233496.db2.gz NEHRBMQYHPCPKH-NSHDSACASA-N 1 2 240.253 1.587 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000365232134 181233497 /nfs/dbraw/zinc/23/34/97/181233497.db2.gz NEHRBMQYHPCPKH-NSHDSACASA-N 1 2 240.253 1.587 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1ccns1 ZINC000639398663 356119024 /nfs/dbraw/zinc/11/90/24/356119024.db2.gz YAJPTOBCOWJDCB-QMMMGPOBSA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1ccns1 ZINC000639398663 356119025 /nfs/dbraw/zinc/11/90/25/356119025.db2.gz YAJPTOBCOWJDCB-QMMMGPOBSA-N 1 2 230.358 1.053 20 0 BDADLO CCC(C)(C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000617567956 356123105 /nfs/dbraw/zinc/12/31/05/356123105.db2.gz SLSBXALOGLPZRL-JTQLQIEISA-N 1 2 223.320 1.824 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000351721480 356071749 /nfs/dbraw/zinc/07/17/49/356071749.db2.gz SCNJZVIKEGHCGH-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1ncc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000351721480 356071750 /nfs/dbraw/zinc/07/17/50/356071750.db2.gz SCNJZVIKEGHCGH-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO CC[C@@H](C)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259200 356081059 /nfs/dbraw/zinc/08/10/59/356081059.db2.gz UNQRLKZHEHMDLW-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO COC(=O)C[C@](C)([NH2+]CCF)c1ccccn1 ZINC000351824646 356091919 /nfs/dbraw/zinc/09/19/19/356091919.db2.gz RMIVIRVTIGNQBO-LBPRGKRZSA-N 1 2 240.278 1.419 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@H]2CCCNC2=O)s1 ZINC000335917016 356160295 /nfs/dbraw/zinc/16/02/95/356160295.db2.gz BOUIYZZBFLUHKO-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@H]2CCCNC2=O)s1 ZINC000335917016 356160297 /nfs/dbraw/zinc/16/02/97/356160297.db2.gz BOUIYZZBFLUHKO-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262647 356170825 /nfs/dbraw/zinc/17/08/25/356170825.db2.gz JXWYTRCCHIZBEH-OUAUKWLOSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336100815 134083457 /nfs/dbraw/zinc/08/34/57/134083457.db2.gz JLBANXMRMNUBEG-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@H](CO)C1 ZINC000639445443 356226251 /nfs/dbraw/zinc/22/62/51/356226251.db2.gz SMFXLMAIHJWRNU-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@H](CO)C1 ZINC000639445443 356226254 /nfs/dbraw/zinc/22/62/54/356226254.db2.gz SMFXLMAIHJWRNU-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO CCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264546 356236161 /nfs/dbraw/zinc/23/61/61/356236161.db2.gz OFQBQXVIHILLIS-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264547 356236420 /nfs/dbraw/zinc/23/64/20/356236420.db2.gz OFQBQXVIHILLIS-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000639452783 356234566 /nfs/dbraw/zinc/23/45/66/356234566.db2.gz BTRKBBRYBBHOGB-SNVBAGLBSA-N 1 2 208.261 1.709 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000639452783 356234570 /nfs/dbraw/zinc/23/45/70/356234570.db2.gz BTRKBBRYBBHOGB-SNVBAGLBSA-N 1 2 208.261 1.709 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc(CC2CC2)no1 ZINC000639472188 356262594 /nfs/dbraw/zinc/26/25/94/356262594.db2.gz YTXBBTGUUVHICA-UHFFFAOYSA-N 1 2 239.319 1.537 20 0 BDADLO CC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000639455005 356239692 /nfs/dbraw/zinc/23/96/92/356239692.db2.gz LHDGFAKYOUWOHI-UHFFFAOYSA-N 1 2 206.289 1.881 20 0 BDADLO CC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000639455005 356239696 /nfs/dbraw/zinc/23/96/96/356239696.db2.gz LHDGFAKYOUWOHI-UHFFFAOYSA-N 1 2 206.289 1.881 20 0 BDADLO CC1(C)C[C@@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000333793329 356307312 /nfs/dbraw/zinc/30/73/12/356307312.db2.gz MUFPACPRHSHWQZ-SECBINFHSA-N 1 2 237.303 1.604 20 0 BDADLO CC[C@@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623267154 356319169 /nfs/dbraw/zinc/31/91/69/356319169.db2.gz LMGIBCDERJFPEO-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000336132589 134097575 /nfs/dbraw/zinc/09/75/75/134097575.db2.gz VAZZTAIUUKPYNJ-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000336132589 134097576 /nfs/dbraw/zinc/09/75/76/134097576.db2.gz VAZZTAIUUKPYNJ-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO CC(F)(F)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623273074 356397123 /nfs/dbraw/zinc/39/71/23/356397123.db2.gz IGITTWJDXSFOPD-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO CCc1nc(C(=O)NCCc2[nH]cc[nH+]2)c(C)o1 ZINC000352741744 356410137 /nfs/dbraw/zinc/41/01/37/356410137.db2.gz IJCRFHWNINYDHW-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO CC(C)(C)CNC(=O)CCCn1cc[nH+]c1 ZINC000623277604 356423919 /nfs/dbraw/zinc/42/39/19/356423919.db2.gz SKJARLUPJAWGFP-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO Cc1nnc(C[NH2+]CC2(F)CC2)s1 ZINC000379359369 356450587 /nfs/dbraw/zinc/45/05/87/356450587.db2.gz YGQHKFMZZDIZJR-UHFFFAOYSA-N 1 2 201.270 1.438 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1CNCc1[nH]ncc1C ZINC000352838857 356463256 /nfs/dbraw/zinc/46/32/56/356463256.db2.gz GTDMJGVWHWJSAP-GFCCVEGCSA-N 1 2 236.363 1.682 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](C)O)CCCCCC1 ZINC000192774332 356436996 /nfs/dbraw/zinc/43/69/96/356436996.db2.gz FNDIXSGDAVROOJ-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000580386586 356442247 /nfs/dbraw/zinc/44/22/47/356442247.db2.gz PTKLBBUPEIRPHZ-JTQLQIEISA-N 1 2 221.304 1.530 20 0 BDADLO Cc1cc(CNC(=O)NCC(F)F)cc(C)[nH+]1 ZINC000420799358 192261273 /nfs/dbraw/zinc/26/12/73/192261273.db2.gz PEUCLWRRUHGYPS-UHFFFAOYSA-N 1 2 243.257 1.763 20 0 BDADLO CC[C@@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000420798019 192261299 /nfs/dbraw/zinc/26/12/99/192261299.db2.gz HGZXNIMORAPEDR-SNVBAGLBSA-N 1 2 224.308 1.228 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000420632611 192252638 /nfs/dbraw/zinc/25/26/38/192252638.db2.gz RSEQLLOWVWPLHJ-RNCFNFMXSA-N 1 2 249.358 1.857 20 0 BDADLO O=C1[C@@H]([N@@H+]2CCC=C(F)C2)CCN1C1CCC1 ZINC000639559176 356465418 /nfs/dbraw/zinc/46/54/18/356465418.db2.gz PSQHAKBPYFIJCN-LBPRGKRZSA-N 1 2 238.306 1.699 20 0 BDADLO O=C1[C@@H]([N@H+]2CCC=C(F)C2)CCN1C1CCC1 ZINC000639559176 356465421 /nfs/dbraw/zinc/46/54/21/356465421.db2.gz PSQHAKBPYFIJCN-LBPRGKRZSA-N 1 2 238.306 1.699 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000352231245 134112354 /nfs/dbraw/zinc/11/23/54/134112354.db2.gz QLENPUGEWIYASU-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000352231245 134112355 /nfs/dbraw/zinc/11/23/55/134112355.db2.gz QLENPUGEWIYASU-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO Cc1cc(CNc2nccnc2C)cc(C)[nH+]1 ZINC000420650414 192255365 /nfs/dbraw/zinc/25/53/65/192255365.db2.gz HUYKAYKIGYTAMU-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO CCC(=O)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000583668524 356491950 /nfs/dbraw/zinc/49/19/50/356491950.db2.gz CFWYZKVYKFLEKH-NSHDSACASA-N 1 2 249.314 1.243 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000302743863 181282679 /nfs/dbraw/zinc/28/26/79/181282679.db2.gz NVVMFHSGDPFBIX-SNVBAGLBSA-N 1 2 245.282 1.278 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000302743863 181282680 /nfs/dbraw/zinc/28/26/80/181282680.db2.gz NVVMFHSGDPFBIX-SNVBAGLBSA-N 1 2 245.282 1.278 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCO[C@@H]2C)no1 ZINC000639570166 356495266 /nfs/dbraw/zinc/49/52/66/356495266.db2.gz LLRHVZGQBCWQCV-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCO[C@@H]2C)no1 ZINC000639570166 356495270 /nfs/dbraw/zinc/49/52/70/356495270.db2.gz LLRHVZGQBCWQCV-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO CCC(F)(F)C[N@H+](C)CC1(CO)CC1 ZINC000639603252 356523343 /nfs/dbraw/zinc/52/33/43/356523343.db2.gz LNHBAQOUIDYBSK-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CC1(CO)CC1 ZINC000639603252 356523344 /nfs/dbraw/zinc/52/33/44/356523344.db2.gz LNHBAQOUIDYBSK-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](CC)O1 ZINC000420955449 192279816 /nfs/dbraw/zinc/27/98/16/192279816.db2.gz LPOFGECPWXDTMG-TXEJJXNPSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H](CC)O1 ZINC000420955449 192279819 /nfs/dbraw/zinc/27/98/19/192279819.db2.gz LPOFGECPWXDTMG-TXEJJXNPSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccn2C)C[C@H](CC)O1 ZINC000420955449 192279821 /nfs/dbraw/zinc/27/98/21/192279821.db2.gz LPOFGECPWXDTMG-TXEJJXNPSA-N 1 2 237.347 1.810 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000639606779 356526693 /nfs/dbraw/zinc/52/66/93/356526693.db2.gz OOHCFLUFNOWEHJ-GUBZILKMSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000639606779 356526697 /nfs/dbraw/zinc/52/66/97/356526697.db2.gz OOHCFLUFNOWEHJ-GUBZILKMSA-N 1 2 235.274 1.113 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000639606296 356527015 /nfs/dbraw/zinc/52/70/15/356527015.db2.gz KJHZZGKLBCYZQL-UHFFFAOYSA-N 1 2 216.235 1.208 20 0 BDADLO CCC(F)(F)C[N@H+]1CCc2nn[nH]c2C1 ZINC000639606296 356527020 /nfs/dbraw/zinc/52/70/20/356527020.db2.gz KJHZZGKLBCYZQL-UHFFFAOYSA-N 1 2 216.235 1.208 20 0 BDADLO CCC(F)(F)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000639606522 356527089 /nfs/dbraw/zinc/52/70/89/356527089.db2.gz QDCPHMQTAZRODF-IUCAKERBSA-N 1 2 225.279 1.095 20 0 BDADLO CCC(F)(F)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000639606522 356527094 /nfs/dbraw/zinc/52/70/94/356527094.db2.gz QDCPHMQTAZRODF-IUCAKERBSA-N 1 2 225.279 1.095 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CCCCCO)n1 ZINC000420969846 192285039 /nfs/dbraw/zinc/28/50/39/192285039.db2.gz YUMFAGGYSCXPBI-UHFFFAOYSA-N 1 2 245.754 1.668 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CCCCCO)n1 ZINC000420969846 192285041 /nfs/dbraw/zinc/28/50/41/192285041.db2.gz YUMFAGGYSCXPBI-UHFFFAOYSA-N 1 2 245.754 1.668 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@](O)(CC)C1 ZINC000639597375 356515555 /nfs/dbraw/zinc/51/55/55/356515555.db2.gz FCYJMPUUJCHNMN-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@](O)(CC)C1 ZINC000639597375 356515558 /nfs/dbraw/zinc/51/55/58/356515558.db2.gz FCYJMPUUJCHNMN-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@@H](CC)O1 ZINC000420946918 192275324 /nfs/dbraw/zinc/27/53/24/192275324.db2.gz MFXRTRLWDMQYKM-VXGBXAGGSA-N 1 2 240.347 1.154 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263216198 535313666 /nfs/dbraw/zinc/31/36/66/535313666.db2.gz KXPLOYGRHSZUTA-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000639620327 356539558 /nfs/dbraw/zinc/53/95/58/356539558.db2.gz LJRHUYYPKMYART-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000639620327 356539560 /nfs/dbraw/zinc/53/95/60/356539560.db2.gz LJRHUYYPKMYART-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000179721062 366291872 /nfs/dbraw/zinc/29/18/72/366291872.db2.gz LUQQTVALXOFCJD-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000179721062 366291874 /nfs/dbraw/zinc/29/18/74/366291874.db2.gz LUQQTVALXOFCJD-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1c[nH+]c(CN2CC(C)(C)[C@@H]3COC[C@@H]32)n1C ZINC000449783417 202034302 /nfs/dbraw/zinc/03/43/02/202034302.db2.gz OXBRXGDQDRWQNE-NEPJUHHUSA-N 1 2 249.358 1.585 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623298188 356551767 /nfs/dbraw/zinc/55/17/67/356551767.db2.gz XRSUMMSOCSHLHY-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000421082157 192312362 /nfs/dbraw/zinc/31/23/62/192312362.db2.gz HUYIYKAXZSYNNG-MNOVXSKESA-N 1 2 249.314 1.189 20 0 BDADLO C[C@H](C[NH+]1Cc2ccccc2C1)S(C)(=O)=O ZINC000336198951 134128057 /nfs/dbraw/zinc/12/80/57/134128057.db2.gz UAWDKDDPIPQLIF-SNVBAGLBSA-N 1 2 239.340 1.435 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623298902 356555568 /nfs/dbraw/zinc/55/55/68/356555568.db2.gz MALCOCBLJAMZEZ-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccc2nccn21 ZINC000179772233 366303230 /nfs/dbraw/zinc/30/32/30/366303230.db2.gz LBTPTGBWJWRFLP-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccc2nccn21 ZINC000179772233 366303239 /nfs/dbraw/zinc/30/32/39/366303239.db2.gz LBTPTGBWJWRFLP-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCCN1Cc1cccc2[nH+]ccn21 ZINC000179772233 366303245 /nfs/dbraw/zinc/30/32/45/366303245.db2.gz LBTPTGBWJWRFLP-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO CCc1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000449854228 202046727 /nfs/dbraw/zinc/04/67/27/202046727.db2.gz XIFZITOUQRHBCD-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@]23CCOC3)cc[nH+]1 ZINC000421085998 192312147 /nfs/dbraw/zinc/31/21/47/192312147.db2.gz NSJDXWIDWCSWJH-ZDUSSCGKSA-N 1 2 247.298 1.209 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639658707 356566707 /nfs/dbraw/zinc/56/67/07/356566707.db2.gz CNKAVFJOYGXARM-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639658707 356566711 /nfs/dbraw/zinc/56/67/11/356566711.db2.gz CNKAVFJOYGXARM-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000639660151 356567876 /nfs/dbraw/zinc/56/78/76/356567876.db2.gz SROISHCPKXWRBF-UHFFFAOYSA-N 1 2 246.310 1.339 20 0 BDADLO CC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000639660151 356567877 /nfs/dbraw/zinc/56/78/77/356567877.db2.gz SROISHCPKXWRBF-UHFFFAOYSA-N 1 2 246.310 1.339 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639659420 356568629 /nfs/dbraw/zinc/56/86/29/356568629.db2.gz LQHLPQSAGWVNLJ-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639659420 356568634 /nfs/dbraw/zinc/56/86/34/356568634.db2.gz LQHLPQSAGWVNLJ-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)CC[C@H](C)O)nn1C ZINC000421318307 192316460 /nfs/dbraw/zinc/31/64/60/192316460.db2.gz DMNKQUDMDYGDNT-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)CC[C@H](C)O)nn1C ZINC000421318307 192316461 /nfs/dbraw/zinc/31/64/61/192316461.db2.gz DMNKQUDMDYGDNT-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302462 356582000 /nfs/dbraw/zinc/58/20/00/356582000.db2.gz HGGICIDIKZFENF-KBVBDRTLSA-N 1 2 245.326 1.837 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1=CCCCC1 ZINC000623303040 356584157 /nfs/dbraw/zinc/58/41/57/356584157.db2.gz UXRKJMMUVUIZHM-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO CC(C)=C(C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000630091845 363512920 /nfs/dbraw/zinc/51/29/20/363512920.db2.gz VILQTADQFZSHAU-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000630091845 363512921 /nfs/dbraw/zinc/51/29/21/363512921.db2.gz VILQTADQFZSHAU-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857699 202083465 /nfs/dbraw/zinc/08/34/65/202083465.db2.gz FVMXJLKRQIKBPI-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000162857699 202083469 /nfs/dbraw/zinc/08/34/69/202083469.db2.gz FVMXJLKRQIKBPI-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO CC1(C)OCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000630091729 363510802 /nfs/dbraw/zinc/51/08/02/363510802.db2.gz BZRBMCGCRLQKAR-LLVKDONJSA-N 1 2 236.315 1.801 20 0 BDADLO COC(=O)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000450215268 202099427 /nfs/dbraw/zinc/09/94/27/202099427.db2.gz KEBBZSPLIWPHAW-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000630093550 363525484 /nfs/dbraw/zinc/52/54/84/363525484.db2.gz NFNPCOGQKSIREI-MGCOHNPYSA-N 1 2 208.261 1.163 20 0 BDADLO CNc1nc(N2CC[C@@H](C)C2)[nH+]c2ccccc21 ZINC000450298073 202124525 /nfs/dbraw/zinc/12/45/25/202124525.db2.gz LQZRVMIIYSNHCU-SNVBAGLBSA-N 1 2 242.326 1.940 20 0 BDADLO COC(=O)C1(C[N@H+](C)CC(F)F)CC1 ZINC000450356451 202143031 /nfs/dbraw/zinc/14/30/31/202143031.db2.gz WDJSXOOILZZFHF-UHFFFAOYSA-N 1 2 207.220 1.137 20 0 BDADLO COC(=O)C1(C[N@@H+](C)CC(F)F)CC1 ZINC000450356451 202143034 /nfs/dbraw/zinc/14/30/34/202143034.db2.gz WDJSXOOILZZFHF-UHFFFAOYSA-N 1 2 207.220 1.137 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)COCC)C(=O)OCC ZINC000216604397 134154278 /nfs/dbraw/zinc/15/42/78/134154278.db2.gz ZDYZATNEGHHKCR-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCCO)C(=O)OC(C)(C)C ZINC000179845837 366322052 /nfs/dbraw/zinc/32/20/52/366322052.db2.gz QCLIOZNFTBCYIK-QWRGUYRKSA-N 1 2 245.363 1.715 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733118 325025208 /nfs/dbraw/zinc/02/52/08/325025208.db2.gz HDXRYLPIMNCBIH-VIFPVBQESA-N 1 2 241.360 1.662 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)no1 ZINC000639778728 356724304 /nfs/dbraw/zinc/72/43/04/356724304.db2.gz SRHXNZOEIRGIKU-LLVKDONJSA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)no1 ZINC000639778728 356724309 /nfs/dbraw/zinc/72/43/09/356724309.db2.gz SRHXNZOEIRGIKU-LLVKDONJSA-N 1 2 218.260 1.735 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)OC ZINC000384714756 356728689 /nfs/dbraw/zinc/72/86/89/356728689.db2.gz HBRKSVRQOKQZHB-FIQHERPVSA-N 1 2 243.347 1.874 20 0 BDADLO CCc1nc(CN2CC[NH+](C3CCC3)CC2)n[nH]1 ZINC000354813132 356744221 /nfs/dbraw/zinc/74/42/21/356744221.db2.gz BGJXIYZGXQEQDG-UHFFFAOYSA-N 1 2 249.362 1.037 20 0 BDADLO CCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522965955 538624689 /nfs/dbraw/zinc/62/46/89/538624689.db2.gz RLJIXVSMDKSBDA-UHFFFAOYSA-N 1 2 245.286 1.192 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CC[C@H](C)O1 ZINC000355295908 356755281 /nfs/dbraw/zinc/75/52/81/356755281.db2.gz SLDISSFIBHRKGW-CMPLNLGQSA-N 1 2 238.335 1.205 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@H]1CC[C@H](C)O1 ZINC000355295908 356755283 /nfs/dbraw/zinc/75/52/83/356755283.db2.gz SLDISSFIBHRKGW-CMPLNLGQSA-N 1 2 238.335 1.205 20 0 BDADLO CCC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000281809876 538701222 /nfs/dbraw/zinc/70/12/22/538701222.db2.gz KJGHXLHVFGQLDR-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CCC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000281809876 538701232 /nfs/dbraw/zinc/70/12/32/538701232.db2.gz KJGHXLHVFGQLDR-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@@]1([NH2+]Cc2noc(C)n2)CCOC1 ZINC000380304002 538678213 /nfs/dbraw/zinc/67/82/13/538678213.db2.gz FGMDRVFAWWPYBC-SNVBAGLBSA-N 1 2 211.265 1.037 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnccc2C)CCO1 ZINC000639833524 356820352 /nfs/dbraw/zinc/82/03/52/356820352.db2.gz KFLLRPDHYZMHCU-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnccc2C)CCO1 ZINC000639833524 356820355 /nfs/dbraw/zinc/82/03/55/356820355.db2.gz KFLLRPDHYZMHCU-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CC(C)(C)OC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000450483429 202180789 /nfs/dbraw/zinc/18/07/89/202180789.db2.gz JJZZUZJYIGMOPP-UHFFFAOYSA-N 1 2 238.335 1.584 20 0 BDADLO CC(C)(C)OC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000450483429 202180793 /nfs/dbraw/zinc/18/07/93/202180793.db2.gz JJZZUZJYIGMOPP-UHFFFAOYSA-N 1 2 238.335 1.584 20 0 BDADLO CO[C@H]1C[N@H+](CCc2csc(C)n2)CCO1 ZINC000639836934 356823236 /nfs/dbraw/zinc/82/32/36/356823236.db2.gz KTSYCSUIZGLRJE-LLVKDONJSA-N 1 2 242.344 1.299 20 0 BDADLO CO[C@H]1C[N@@H+](CCc2csc(C)n2)CCO1 ZINC000639836934 356823241 /nfs/dbraw/zinc/82/32/41/356823241.db2.gz KTSYCSUIZGLRJE-LLVKDONJSA-N 1 2 242.344 1.299 20 0 BDADLO CO[C@@H]1C[N@H+](CCOCC2CCCC2)CCO1 ZINC000639836788 356823861 /nfs/dbraw/zinc/82/38/61/356823861.db2.gz JJZTYOSNAPEITK-ZDUSSCGKSA-N 1 2 243.347 1.498 20 0 BDADLO CO[C@@H]1C[N@@H+](CCOCC2CCCC2)CCO1 ZINC000639836788 356823863 /nfs/dbraw/zinc/82/38/63/356823863.db2.gz JJZTYOSNAPEITK-ZDUSSCGKSA-N 1 2 243.347 1.498 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)c1nncs1 ZINC000450488389 202181469 /nfs/dbraw/zinc/18/14/69/202181469.db2.gz ONGAYNJVJFWSQX-UHFFFAOYSA-N 1 2 249.343 1.707 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000639837158 356829268 /nfs/dbraw/zinc/82/92/68/356829268.db2.gz PLJXENSQAFASEP-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000639837158 356829270 /nfs/dbraw/zinc/82/92/70/356829270.db2.gz PLJXENSQAFASEP-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@H]1C[N@@H+](C2CC(OC(C)C)C2)CCO1 ZINC000639838350 356829322 /nfs/dbraw/zinc/82/93/22/356829322.db2.gz PMTCNLQEKIRWIP-HTAVTVPLSA-N 1 2 229.320 1.247 20 0 BDADLO CO[C@H]1C[N@H+](C2CC(OC(C)C)C2)CCO1 ZINC000639838350 356829324 /nfs/dbraw/zinc/82/93/24/356829324.db2.gz PMTCNLQEKIRWIP-HTAVTVPLSA-N 1 2 229.320 1.247 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1ccns1 ZINC000639809335 356782737 /nfs/dbraw/zinc/78/27/37/356782737.db2.gz RWKOVJZDTRZPPH-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccns1 ZINC000639809335 356782739 /nfs/dbraw/zinc/78/27/39/356782739.db2.gz RWKOVJZDTRZPPH-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CC1(C)CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000358954490 356880126 /nfs/dbraw/zinc/88/01/26/356880126.db2.gz WABMMZUCDIOTLI-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CCC[C@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000450566926 202199804 /nfs/dbraw/zinc/19/98/04/202199804.db2.gz YHLGGPNMXHPASC-VIFPVBQESA-N 1 2 227.308 1.364 20 0 BDADLO CC[N@@H+](Cc1noc(C)n1)C[C@@H](C)OC ZINC000361574398 356933165 /nfs/dbraw/zinc/93/31/65/356933165.db2.gz WCTJGLPRVZWJPC-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1noc(C)n1)C[C@@H](C)OC ZINC000361574398 356933169 /nfs/dbraw/zinc/93/31/69/356933169.db2.gz WCTJGLPRVZWJPC-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)C[C@@H](C)OC ZINC000361565257 356933649 /nfs/dbraw/zinc/93/36/49/356933649.db2.gz ORERTJRROMNYFP-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)C[C@@H](C)OC ZINC000361565257 356933653 /nfs/dbraw/zinc/93/36/53/356933653.db2.gz ORERTJRROMNYFP-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO CCCCc1noc(C[N@H+](CCC)CCO)n1 ZINC000041625026 358513198 /nfs/dbraw/zinc/51/31/98/358513198.db2.gz QRWQKVRABJVGIT-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCc1noc(C[N@@H+](CCC)CCO)n1 ZINC000041625026 358513202 /nfs/dbraw/zinc/51/32/02/358513202.db2.gz QRWQKVRABJVGIT-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)[C@H]1CCOC1 ZINC000361591390 356934696 /nfs/dbraw/zinc/93/46/96/356934696.db2.gz ZJYPSFSDJGUXRZ-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)[C@H]1CCOC1 ZINC000361591390 356934700 /nfs/dbraw/zinc/93/47/00/356934700.db2.gz ZJYPSFSDJGUXRZ-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CCN1CC[N@H+](CCc2cccnc2)[C@H](C)C1=O ZINC000361852909 356937494 /nfs/dbraw/zinc/93/74/94/356937494.db2.gz ZLHQCYYZNICSOI-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@@H+](CCc2cccnc2)[C@H](C)C1=O ZINC000361852909 356937497 /nfs/dbraw/zinc/93/74/97/356937497.db2.gz ZLHQCYYZNICSOI-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ncc[nH]1 ZINC000353450637 538743816 /nfs/dbraw/zinc/74/38/16/538743816.db2.gz UUKYGRNIJHOHIK-JTQLQIEISA-N 1 2 245.330 1.722 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)no1 ZINC000368896149 356979474 /nfs/dbraw/zinc/97/94/74/356979474.db2.gz LVUSSFPKNBSOOF-SKDRFNHKSA-N 1 2 237.303 1.289 20 0 BDADLO C[N@@H+]1CCc2ncnc(NC(CF)CF)c2C1 ZINC000450592786 202206361 /nfs/dbraw/zinc/20/63/61/202206361.db2.gz PKAQJVPKDYRHBG-UHFFFAOYSA-N 1 2 242.273 1.184 20 0 BDADLO C[N@H+]1CCc2ncnc(NC(CF)CF)c2C1 ZINC000450592786 202206364 /nfs/dbraw/zinc/20/63/64/202206364.db2.gz PKAQJVPKDYRHBG-UHFFFAOYSA-N 1 2 242.273 1.184 20 0 BDADLO COC[C@](C)(O)CCNc1cccc[nH+]1 ZINC000450592848 202207303 /nfs/dbraw/zinc/20/73/03/202207303.db2.gz PXACZIKHGITUQC-LLVKDONJSA-N 1 2 210.277 1.281 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+](C)Cc1cccnc1 ZINC000582308902 357048074 /nfs/dbraw/zinc/04/80/74/357048074.db2.gz BRKIVYVELYKELS-JTQLQIEISA-N 1 2 243.314 1.477 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+](C)Cc1cccnc1 ZINC000582308902 357048076 /nfs/dbraw/zinc/04/80/76/357048076.db2.gz BRKIVYVELYKELS-JTQLQIEISA-N 1 2 243.314 1.477 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOC(C)C)o1 ZINC000389850334 357053636 /nfs/dbraw/zinc/05/36/36/357053636.db2.gz UJAUXBWZYSNDAG-MRVPVSSYSA-N 1 2 213.281 1.454 20 0 BDADLO CO[C@H]1C[C@@H](CNC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000626468787 357005043 /nfs/dbraw/zinc/00/50/43/357005043.db2.gz WQNMMLCUPDIYEZ-KLPPZKSPSA-N 1 2 249.314 1.358 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCC(F)(F)F)C1CC1 ZINC000390535809 357101734 /nfs/dbraw/zinc/10/17/34/357101734.db2.gz KBQPFQWDCNYERD-VIFPVBQESA-N 1 2 239.237 1.870 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000543748353 325108846 /nfs/dbraw/zinc/10/88/46/325108846.db2.gz HLSSVTPWPHGNTL-GHMZBOCLSA-N 1 2 223.320 1.311 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000582428177 357146861 /nfs/dbraw/zinc/14/68/61/357146861.db2.gz CQHYPVJARLATTG-BXKDBHETSA-N 1 2 238.310 1.774 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000582428177 357146866 /nfs/dbraw/zinc/14/68/66/357146866.db2.gz CQHYPVJARLATTG-BXKDBHETSA-N 1 2 238.310 1.774 20 0 BDADLO OCC[C@H]([NH2+]Cc1ccno1)c1ccco1 ZINC000390816523 357117516 /nfs/dbraw/zinc/11/75/16/357117516.db2.gz LYKCOIRGAQEHCP-JTQLQIEISA-N 1 2 222.244 1.481 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000583687855 357120167 /nfs/dbraw/zinc/12/01/67/357120167.db2.gz FXAQKTXGUJNVBX-VIFPVBQESA-N 1 2 225.317 1.011 20 0 BDADLO CCC[C@](C)(CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356678842 538812340 /nfs/dbraw/zinc/81/23/40/538812340.db2.gz QSKOOSXRVROGTN-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@](C)(CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356678842 538812346 /nfs/dbraw/zinc/81/23/46/538812346.db2.gz QSKOOSXRVROGTN-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000356638562 538812539 /nfs/dbraw/zinc/81/25/39/538812539.db2.gz CRRIZWCHHVTESZ-LLVKDONJSA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000356638562 538812548 /nfs/dbraw/zinc/81/25/48/538812548.db2.gz CRRIZWCHHVTESZ-LLVKDONJSA-N 1 2 221.304 1.599 20 0 BDADLO FC(F)(F)Cn1ccnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628408573 357204652 /nfs/dbraw/zinc/20/46/52/357204652.db2.gz CUSLCUDTECBXGH-DTORHVGOSA-N 1 2 245.248 1.897 20 0 BDADLO FC(F)(F)Cn1ccnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628408573 357204656 /nfs/dbraw/zinc/20/46/56/357204656.db2.gz CUSLCUDTECBXGH-DTORHVGOSA-N 1 2 245.248 1.897 20 0 BDADLO C=Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000356756017 538815698 /nfs/dbraw/zinc/81/56/98/538815698.db2.gz UXULOLDJSIPVCK-UHFFFAOYSA-N 1 2 241.294 1.993 20 0 BDADLO CCCC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000356753868 538816029 /nfs/dbraw/zinc/81/60/29/538816029.db2.gz JKDWEOBTBIPDTL-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC1(C)C ZINC000393831291 357302569 /nfs/dbraw/zinc/30/25/69/357302569.db2.gz CCRROWCTZYEJDQ-ZETCQYMHSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC1(C)C ZINC000393831291 357302571 /nfs/dbraw/zinc/30/25/71/357302571.db2.gz CCRROWCTZYEJDQ-ZETCQYMHSA-N 1 2 222.292 1.668 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000378314588 357250465 /nfs/dbraw/zinc/25/04/65/357250465.db2.gz HJSZQRGYLKIILO-SNVBAGLBSA-N 1 2 221.304 1.864 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000378314588 357250467 /nfs/dbraw/zinc/25/04/67/357250467.db2.gz HJSZQRGYLKIILO-SNVBAGLBSA-N 1 2 221.304 1.864 20 0 BDADLO CC(=O)c1cc(NC(=O)C[NH+](C)C)ccc1C ZINC000584360312 357326393 /nfs/dbraw/zinc/32/63/93/357326393.db2.gz CWOXTBVVXBGBCF-UHFFFAOYSA-N 1 2 234.299 1.698 20 0 BDADLO CC(C)(C)c1nc(NC2(CO)CC2)cc[nH+]1 ZINC000157517899 538828333 /nfs/dbraw/zinc/82/83/33/538828333.db2.gz JZSDYGYBXDFRIT-UHFFFAOYSA-N 1 2 221.304 1.711 20 0 BDADLO C[C@@H](CO)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000157932783 538845082 /nfs/dbraw/zinc/84/50/82/538845082.db2.gz BOYWRYBVYIPQJS-LLVKDONJSA-N 1 2 231.299 1.913 20 0 BDADLO C[NH2+][C@@H](CC(C)(C)C)C(=O)N=c1cc(C)[nH][nH]1 ZINC000395748386 357454836 /nfs/dbraw/zinc/45/48/36/357454836.db2.gz NESCRMXOSBBDMO-VIFPVBQESA-N 1 2 238.335 1.103 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1ncnn1C(C)C ZINC000583002750 357455541 /nfs/dbraw/zinc/45/55/41/357455541.db2.gz PSECXEHTXVLUJB-UHFFFAOYSA-N 1 2 240.351 1.716 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1ncnn1C(C)C ZINC000583002750 357455547 /nfs/dbraw/zinc/45/55/47/357455547.db2.gz PSECXEHTXVLUJB-UHFFFAOYSA-N 1 2 240.351 1.716 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000230376507 357531143 /nfs/dbraw/zinc/53/11/43/357531143.db2.gz TWFVJLXBWJWCID-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000230376507 357531146 /nfs/dbraw/zinc/53/11/46/357531146.db2.gz TWFVJLXBWJWCID-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO Cc1nc(C[NH2+]Cc2nccn2C)sc1C ZINC000085696423 357553674 /nfs/dbraw/zinc/55/36/74/357553674.db2.gz OCEYCOVERGRAJE-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1nc(CNCc2[nH+]ccn2C)sc1C ZINC000085696423 357553676 /nfs/dbraw/zinc/55/36/76/357553676.db2.gz OCEYCOVERGRAJE-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccncc1Cl ZINC000085704475 357554744 /nfs/dbraw/zinc/55/47/44/357554744.db2.gz ZUKQUCOYSIZXID-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccncc1Cl ZINC000085704475 357554746 /nfs/dbraw/zinc/55/47/46/357554746.db2.gz ZUKQUCOYSIZXID-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO CC(C)[C@@H](CCO)[NH2+]CC(=O)OC(C)(C)C ZINC000231040716 357596941 /nfs/dbraw/zinc/59/69/41/357596941.db2.gz FJDSGDOFUGATCT-SNVBAGLBSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)[C@H](CCO)[NH2+]CC(=O)OC(C)(C)C ZINC000231040718 357597343 /nfs/dbraw/zinc/59/73/43/357597343.db2.gz FJDSGDOFUGATCT-JTQLQIEISA-N 1 2 231.336 1.325 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000233697931 357732889 /nfs/dbraw/zinc/73/28/89/357732889.db2.gz CVINYQXZJQRTSY-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)OC ZINC000191095698 357749395 /nfs/dbraw/zinc/74/93/95/357749395.db2.gz NPSYWBPXQLYPHR-USZNOCQGSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)OC ZINC000234039093 357768084 /nfs/dbraw/zinc/76/80/84/357768084.db2.gz FSFYVVPTBAHWMM-HBNTYKKESA-N 1 2 227.304 1.095 20 0 BDADLO C[N@H+](CCOc1ccccc1)Cc1ncccn1 ZINC000191904442 357804207 /nfs/dbraw/zinc/80/42/07/357804207.db2.gz HZGIJTSOTKJLNJ-UHFFFAOYSA-N 1 2 243.310 1.987 20 0 BDADLO C[N@@H+](CCOc1ccccc1)Cc1ncccn1 ZINC000191904442 357804208 /nfs/dbraw/zinc/80/42/08/357804208.db2.gz HZGIJTSOTKJLNJ-UHFFFAOYSA-N 1 2 243.310 1.987 20 0 BDADLO COCCC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000191965156 357807119 /nfs/dbraw/zinc/80/71/19/357807119.db2.gz FGSHNQLXRJRXCR-VIFPVBQESA-N 1 2 239.323 1.037 20 0 BDADLO COCCC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000191965156 357807120 /nfs/dbraw/zinc/80/71/20/357807120.db2.gz FGSHNQLXRJRXCR-VIFPVBQESA-N 1 2 239.323 1.037 20 0 BDADLO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191960975 357807151 /nfs/dbraw/zinc/80/71/51/357807151.db2.gz GFMVGXKLHXZZOR-QCNOEVLYSA-N 1 2 245.363 1.713 20 0 BDADLO COCCC[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000191965162 357807184 /nfs/dbraw/zinc/80/71/84/357807184.db2.gz FGSHNQLXRJRXCR-SECBINFHSA-N 1 2 239.323 1.037 20 0 BDADLO COCCC[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000191965162 357807185 /nfs/dbraw/zinc/80/71/85/357807185.db2.gz FGSHNQLXRJRXCR-SECBINFHSA-N 1 2 239.323 1.037 20 0 BDADLO CC[C@@H](C)C[C@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191960980 357807302 /nfs/dbraw/zinc/80/73/02/357807302.db2.gz GFMVGXKLHXZZOR-WYUUTHIRSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@@H+]1C[Si](C)(C)C ZINC000192079652 357816912 /nfs/dbraw/zinc/81/69/12/357816912.db2.gz JHBZBDFRONPHBK-JTQLQIEISA-N 1 2 249.452 1.373 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@H+]1C[Si](C)(C)C ZINC000192079652 357816916 /nfs/dbraw/zinc/81/69/16/357816916.db2.gz JHBZBDFRONPHBK-JTQLQIEISA-N 1 2 249.452 1.373 20 0 BDADLO C[C@H]1C[N@H+](C[Si](C)(C)C)CCS(=O)(=O)C1 ZINC000192100419 357818332 /nfs/dbraw/zinc/81/83/32/357818332.db2.gz IUKZDTQUEYYSAA-JTQLQIEISA-N 1 2 249.452 1.230 20 0 BDADLO C[C@H]1C[N@@H+](C[Si](C)(C)C)CCS(=O)(=O)C1 ZINC000192100419 357818335 /nfs/dbraw/zinc/81/83/35/357818335.db2.gz IUKZDTQUEYYSAA-JTQLQIEISA-N 1 2 249.452 1.230 20 0 BDADLO O=C1CC[N@H+](Cc2ccno2)C2(CCC2)C1 ZINC000583271763 357779049 /nfs/dbraw/zinc/77/90/49/357779049.db2.gz OQGAOPNHYVMIJK-UHFFFAOYSA-N 1 2 220.272 1.762 20 0 BDADLO O=C1CC[N@@H+](Cc2ccno2)C2(CCC2)C1 ZINC000583271763 357779055 /nfs/dbraw/zinc/77/90/55/357779055.db2.gz OQGAOPNHYVMIJK-UHFFFAOYSA-N 1 2 220.272 1.762 20 0 BDADLO CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925335 357826102 /nfs/dbraw/zinc/82/61/02/357826102.db2.gz LVYDBZOSPYWCBC-GFCCVEGCSA-N 1 2 236.315 1.799 20 0 BDADLO CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925335 357826107 /nfs/dbraw/zinc/82/61/07/357826107.db2.gz LVYDBZOSPYWCBC-GFCCVEGCSA-N 1 2 236.315 1.799 20 0 BDADLO CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925336 357826419 /nfs/dbraw/zinc/82/64/19/357826419.db2.gz LVYDBZOSPYWCBC-LBPRGKRZSA-N 1 2 236.315 1.799 20 0 BDADLO CCNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925336 357826420 /nfs/dbraw/zinc/82/64/20/357826420.db2.gz LVYDBZOSPYWCBC-LBPRGKRZSA-N 1 2 236.315 1.799 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925714 357830119 /nfs/dbraw/zinc/83/01/19/357830119.db2.gz CPFWWHLSULFNEM-ONGXEEELSA-N 1 2 236.315 1.926 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925714 357830122 /nfs/dbraw/zinc/83/01/22/357830122.db2.gz CPFWWHLSULFNEM-ONGXEEELSA-N 1 2 236.315 1.926 20 0 BDADLO COc1cccc2c1cc[nH+]c2N1CC[C@@H](O)C1 ZINC000235023823 357845911 /nfs/dbraw/zinc/84/59/11/357845911.db2.gz NNEXWOJWRWVAJG-SNVBAGLBSA-N 1 2 244.294 1.814 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1csnn1 ZINC000398231994 357867859 /nfs/dbraw/zinc/86/78/59/357867859.db2.gz JCDUHVRKBXITKN-NJGYIYPDSA-N 1 2 241.238 1.112 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335560499 535370853 /nfs/dbraw/zinc/37/08/53/535370853.db2.gz UGQMXWFQPXXPPF-LLVKDONJSA-N 1 2 233.315 1.528 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC000583814641 357960569 /nfs/dbraw/zinc/96/05/69/357960569.db2.gz GAYOBCWLDKDJRW-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC000583814641 357960570 /nfs/dbraw/zinc/96/05/70/357960570.db2.gz GAYOBCWLDKDJRW-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H]1C[C@@H](C)O ZINC000584500685 358005030 /nfs/dbraw/zinc/00/50/30/358005030.db2.gz RTYGCDIZYOEJRQ-ZYHUDNBSSA-N 1 2 235.331 1.833 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H]1C[C@H](C)O ZINC000584500682 358005265 /nfs/dbraw/zinc/00/52/65/358005265.db2.gz RTYGCDIZYOEJRQ-CMPLNLGQSA-N 1 2 235.331 1.833 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H](O)C(C)C ZINC000639971269 358021764 /nfs/dbraw/zinc/02/17/64/358021764.db2.gz PFIOIRZRPMVZPI-NSHDSACASA-N 1 2 211.309 1.167 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H](O)C(C)C ZINC000639971269 358021766 /nfs/dbraw/zinc/02/17/66/358021766.db2.gz PFIOIRZRPMVZPI-NSHDSACASA-N 1 2 211.309 1.167 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(C)ncn1 ZINC000639970140 358022776 /nfs/dbraw/zinc/02/27/76/358022776.db2.gz CEPLMTFOLNHEJU-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(C)ncn1 ZINC000639970140 358022780 /nfs/dbraw/zinc/02/27/80/358022780.db2.gz CEPLMTFOLNHEJU-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CCn1nnc(C)c1C[N@H+](C)Cc1c[nH]nc1C ZINC000639970777 358024477 /nfs/dbraw/zinc/02/44/77/358024477.db2.gz KGZRSVDNEGJIOI-UHFFFAOYSA-N 1 2 248.334 1.270 20 0 BDADLO CCn1nnc(C)c1C[N@@H+](C)Cc1c[nH]nc1C ZINC000639970777 358024481 /nfs/dbraw/zinc/02/44/81/358024481.db2.gz KGZRSVDNEGJIOI-UHFFFAOYSA-N 1 2 248.334 1.270 20 0 BDADLO COc1cc(C[N@H+](C)Cc2c[nH]nc2C)ccn1 ZINC000639971500 358029893 /nfs/dbraw/zinc/02/98/93/358029893.db2.gz RDOKJLSZUWDZNR-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)ccn1 ZINC000639971500 358029898 /nfs/dbraw/zinc/02/98/98/358029898.db2.gz RDOKJLSZUWDZNR-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000639972621 358031743 /nfs/dbraw/zinc/03/17/43/358031743.db2.gz XAQHYXHHJFBQCZ-LLVKDONJSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000639972621 358031746 /nfs/dbraw/zinc/03/17/46/358031746.db2.gz XAQHYXHHJFBQCZ-LLVKDONJSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cscn1 ZINC000584529446 358041791 /nfs/dbraw/zinc/04/17/91/358041791.db2.gz HZJFTLIRWAMMNM-NQMVMOMDSA-N 1 2 228.317 1.208 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1cn[nH]c1 ZINC000610662107 358047239 /nfs/dbraw/zinc/04/72/39/358047239.db2.gz GHGXXEPWSAHDDO-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662107 358047243 /nfs/dbraw/zinc/04/72/43/358047243.db2.gz GHGXXEPWSAHDDO-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO Cc1nc([C@H](C)N2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000584537383 358048297 /nfs/dbraw/zinc/04/82/97/358048297.db2.gz CLFLFIJWLQLVEJ-VIFPVBQESA-N 1 2 237.351 1.200 20 0 BDADLO Cc1nc([C@H](C)N2CC[N@@H+](C)C(C)(C)C2)n[nH]1 ZINC000584537383 358048300 /nfs/dbraw/zinc/04/83/00/358048300.db2.gz CLFLFIJWLQLVEJ-VIFPVBQESA-N 1 2 237.351 1.200 20 0 BDADLO Cn1cc(CCC[N@H+](C)CC(F)F)cn1 ZINC000103488113 358069224 /nfs/dbraw/zinc/06/92/24/358069224.db2.gz ZHULXLPLRQLOBC-UHFFFAOYSA-N 1 2 217.263 1.550 20 0 BDADLO Cn1cc(CCC[N@@H+](C)CC(F)F)cn1 ZINC000103488113 358069228 /nfs/dbraw/zinc/06/92/28/358069228.db2.gz ZHULXLPLRQLOBC-UHFFFAOYSA-N 1 2 217.263 1.550 20 0 BDADLO CCSCc1noc(Cc2c[nH+]cn2C)n1 ZINC000350429035 358059376 /nfs/dbraw/zinc/05/93/76/358059376.db2.gz XMAORFQJJBSBNU-UHFFFAOYSA-N 1 2 238.316 1.647 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(CCC2CC2)no1 ZINC000350408779 358066197 /nfs/dbraw/zinc/06/61/97/358066197.db2.gz BLLRIVRAMQLRLB-UHFFFAOYSA-N 1 2 232.287 1.737 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)Cc1cnn(C)c1 ZINC000584665599 358128413 /nfs/dbraw/zinc/12/84/13/358128413.db2.gz SHIAKIJROMKDKK-SNVBAGLBSA-N 1 2 245.330 1.292 20 0 BDADLO CC(C)[C@H](NC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000584694024 358152905 /nfs/dbraw/zinc/15/29/05/358152905.db2.gz FMWWFIYKWNETLL-VIFPVBQESA-N 1 2 249.236 1.586 20 0 BDADLO CC1(F)CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000640070068 358156031 /nfs/dbraw/zinc/15/60/31/358156031.db2.gz TWKDUBLWHWAIHA-UHFFFAOYSA-N 1 2 239.298 1.332 20 0 BDADLO C[C@H](c1nnnn1C)[NH+]1CCC(C)(F)CC1 ZINC000640071475 358161902 /nfs/dbraw/zinc/16/19/02/358161902.db2.gz OJQPXXDDJJMRHE-MRVPVSSYSA-N 1 2 227.287 1.095 20 0 BDADLO CC1(F)CC[NH+](Cc2ncccn2)CC1 ZINC000640071723 358163053 /nfs/dbraw/zinc/16/30/53/358163053.db2.gz RPGMZMCYHNTGFO-UHFFFAOYSA-N 1 2 209.268 1.801 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000584738336 358164577 /nfs/dbraw/zinc/16/45/77/358164577.db2.gz CYDUMTZWHLKQPL-SFYZADRCSA-N 1 2 246.261 1.190 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000584738336 358164578 /nfs/dbraw/zinc/16/45/78/358164578.db2.gz CYDUMTZWHLKQPL-SFYZADRCSA-N 1 2 246.261 1.190 20 0 BDADLO CC1=CC[N@H+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450624296 202215595 /nfs/dbraw/zinc/21/55/95/202215595.db2.gz RWUADPKHFJKYKY-UHFFFAOYSA-N 1 2 232.331 1.840 20 0 BDADLO CC1=CC[N@@H+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450624296 202215596 /nfs/dbraw/zinc/21/55/96/202215596.db2.gz RWUADPKHFJKYKY-UHFFFAOYSA-N 1 2 232.331 1.840 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC1CC1 ZINC000584789507 358179228 /nfs/dbraw/zinc/17/92/28/358179228.db2.gz XYWPWGOTKGSLJK-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC1CC1 ZINC000584789507 358179231 /nfs/dbraw/zinc/17/92/31/358179231.db2.gz XYWPWGOTKGSLJK-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO Cc1ccnc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000584788884 358179460 /nfs/dbraw/zinc/17/94/60/358179460.db2.gz PVTULMNFKOCVDC-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccnc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000584788884 358179462 /nfs/dbraw/zinc/17/94/62/358179462.db2.gz PVTULMNFKOCVDC-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO Cc1cc(N[C@H]2CC[C@@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000450640470 202219200 /nfs/dbraw/zinc/21/92/00/202219200.db2.gz CUHIIPKYRVEJOB-NEPJUHHUSA-N 1 2 249.358 1.903 20 0 BDADLO COC[C@@H]([NH2+]Cc1ncccc1O)c1ccco1 ZINC000584866756 358208165 /nfs/dbraw/zinc/20/81/65/358208165.db2.gz VHNLNOYMDRORJM-LLVKDONJSA-N 1 2 248.282 1.858 20 0 BDADLO Cc1c(N[C@H](C)c2[nH+]ccn2C)cnn1C ZINC000134386538 325356542 /nfs/dbraw/zinc/35/65/42/325356542.db2.gz VCLXODWGEHPQRE-MRVPVSSYSA-N 1 2 219.292 1.635 20 0 BDADLO CC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000450696304 202233370 /nfs/dbraw/zinc/23/33/70/202233370.db2.gz SEJRFAKMXWSURW-SREVYHEPSA-N 1 2 221.308 1.046 20 0 BDADLO CC/C=C\CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000450696304 202233372 /nfs/dbraw/zinc/23/33/72/202233372.db2.gz SEJRFAKMXWSURW-SREVYHEPSA-N 1 2 221.308 1.046 20 0 BDADLO CCOC(=O)CSCc1ccc[nH+]c1N ZINC000052756416 358229798 /nfs/dbraw/zinc/22/97/98/358229798.db2.gz QXQGJXUCMXEQIW-UHFFFAOYSA-N 1 2 226.301 1.460 20 0 BDADLO Cc1cc(C)c(NC(=O)NC2(C)COC2)c(C)[nH+]1 ZINC000640141792 358234165 /nfs/dbraw/zinc/23/41/65/358234165.db2.gz UILQWTNWICCXHU-UHFFFAOYSA-N 1 2 249.314 1.917 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000450708983 202240124 /nfs/dbraw/zinc/24/01/24/202240124.db2.gz SESYOCPSWYOHFR-JHJVBQTASA-N 1 2 247.342 1.915 20 0 BDADLO CC(C)c1nc(N[C@H](C)CC(C)(C)O)cc[nH+]1 ZINC000450693372 202236536 /nfs/dbraw/zinc/23/65/36/202236536.db2.gz OAESPKUIFXDBKB-SNVBAGLBSA-N 1 2 237.347 1.983 20 0 BDADLO CO[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000450753049 202255484 /nfs/dbraw/zinc/25/54/84/202255484.db2.gz GNOLHOJKNUAACR-KOLCDFICSA-N 1 2 221.304 1.646 20 0 BDADLO FC(F)(F)C(F)(F)C[NH2+]C1CCOCC1 ZINC000584625711 358294936 /nfs/dbraw/zinc/29/49/36/358294936.db2.gz QHNPDLPOJKHZQQ-UHFFFAOYSA-N 1 2 233.180 1.953 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000225801368 358312680 /nfs/dbraw/zinc/31/26/80/358312680.db2.gz GNRQLLLQVPQTBK-AXFHLTTASA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000218909433 134270398 /nfs/dbraw/zinc/27/03/98/134270398.db2.gz PUWKEXUNLOWYBK-UWVGGRQHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000218909433 134270399 /nfs/dbraw/zinc/27/03/99/134270399.db2.gz PUWKEXUNLOWYBK-UWVGGRQHSA-N 1 2 225.288 1.381 20 0 BDADLO CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134743244 325374949 /nfs/dbraw/zinc/37/49/49/325374949.db2.gz NYIYGPXIRQBRPI-UHFFFAOYSA-N 1 2 224.308 1.325 20 0 BDADLO COCC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000351158000 366434773 /nfs/dbraw/zinc/43/47/73/366434773.db2.gz KKFFSZBQCSUIIH-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CO[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000229518348 358403742 /nfs/dbraw/zinc/40/37/42/358403742.db2.gz AHFFNVISZXNZMM-YIZRAAEISA-N 1 2 223.276 1.012 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cnccn1 ZINC000047976236 358609015 /nfs/dbraw/zinc/60/90/15/358609015.db2.gz LWSIHHAACFONOK-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO COCCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000130798591 358644490 /nfs/dbraw/zinc/64/44/90/358644490.db2.gz OSYYJPNQZSAUGZ-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO NC(=O)CCSc1[nH+]cc2ccccn21 ZINC000048455702 358635986 /nfs/dbraw/zinc/63/59/86/358635986.db2.gz XILQQKDWDHFSOR-UHFFFAOYSA-N 1 2 221.285 1.302 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)Cc1ccoc1 ZINC000048554444 358640749 /nfs/dbraw/zinc/64/07/49/358640749.db2.gz MSALTFNZLNQSPN-UHFFFAOYSA-N 1 2 232.283 1.933 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000048554444 358640751 /nfs/dbraw/zinc/64/07/51/358640751.db2.gz MSALTFNZLNQSPN-UHFFFAOYSA-N 1 2 232.283 1.933 20 0 BDADLO CCCc1noc(C[N@H+](CCC)CCO)n1 ZINC000047496506 358589270 /nfs/dbraw/zinc/58/92/70/358589270.db2.gz UIYIMYMNLZCIAI-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCc1noc(C[N@@H+](CCC)CCO)n1 ZINC000047496506 358589273 /nfs/dbraw/zinc/58/92/73/358589273.db2.gz UIYIMYMNLZCIAI-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000129628120 358591584 /nfs/dbraw/zinc/59/15/84/358591584.db2.gz BEVUTISDQLDWKF-MNOVXSKESA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000129628120 358591585 /nfs/dbraw/zinc/59/15/85/358591585.db2.gz BEVUTISDQLDWKF-MNOVXSKESA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2ccn(C)n2)c1 ZINC000130812244 358648403 /nfs/dbraw/zinc/64/84/03/358648403.db2.gz COXIBXUPSIDUSY-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000130895923 358651564 /nfs/dbraw/zinc/65/15/64/358651564.db2.gz UFZCVLHPAPDGBM-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc[nH]1 ZINC000131333737 358671263 /nfs/dbraw/zinc/67/12/63/358671263.db2.gz FVOVPKBBXFCIIW-UHFFFAOYSA-N 1 2 246.314 1.797 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]Cc1cccn1C)C(=O)OC ZINC000049537319 358694397 /nfs/dbraw/zinc/69/43/97/358694397.db2.gz MUOWIUDPHHJCNJ-PWSUYJOCSA-N 1 2 238.331 1.702 20 0 BDADLO CC[C@H]([NH2+]CCc1ccc(F)cc1)C(=O)OC ZINC000134921062 358810744 /nfs/dbraw/zinc/81/07/44/358810744.db2.gz HDDCXNAFEIPAQW-LBPRGKRZSA-N 1 2 239.290 1.909 20 0 BDADLO C[N@H+](Cc1nccs1)[C@@H]1CCCCNC1=O ZINC000135041570 358817637 /nfs/dbraw/zinc/81/76/37/358817637.db2.gz YQXMPONPKLNWPC-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO C[N@@H+](Cc1nccs1)[C@@H]1CCCCNC1=O ZINC000135041570 358817641 /nfs/dbraw/zinc/81/76/41/358817641.db2.gz YQXMPONPKLNWPC-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1csc(C2CC2)n1 ZINC000135602375 358845777 /nfs/dbraw/zinc/84/57/77/358845777.db2.gz DEGUTPIRSAPACZ-MRVPVSSYSA-N 1 2 226.345 1.833 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000135602375 358845782 /nfs/dbraw/zinc/84/57/82/358845782.db2.gz DEGUTPIRSAPACZ-MRVPVSSYSA-N 1 2 226.345 1.833 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccn2)C[C@@H](C)O1 ZINC000578321812 366509721 /nfs/dbraw/zinc/50/97/21/366509721.db2.gz JKZPRGCQJSYQGH-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccn2)C[C@@H](C)O1 ZINC000578321812 366509723 /nfs/dbraw/zinc/50/97/23/366509723.db2.gz JKZPRGCQJSYQGH-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H](NC(=O)Cc1ccncc1)c1[nH]cc[nH+]1 ZINC000140682114 358924908 /nfs/dbraw/zinc/92/49/08/358924908.db2.gz QCRKRGUROVKLLH-NSHDSACASA-N 1 2 244.298 1.615 20 0 BDADLO CC[C@H](NC(=O)COC(C)(C)C)c1[nH]cc[nH+]1 ZINC000140670735 358925163 /nfs/dbraw/zinc/92/51/63/358925163.db2.gz ZIFCDNNBLOIBFE-VIFPVBQESA-N 1 2 239.319 1.792 20 0 BDADLO Cn1cc[nH+]c1CS(=O)(=O)CCC1CC1 ZINC000548141141 325434719 /nfs/dbraw/zinc/43/47/19/325434719.db2.gz OZLARTFJSOOGIW-UHFFFAOYSA-N 1 2 228.317 1.135 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000640228320 358939580 /nfs/dbraw/zinc/93/95/80/358939580.db2.gz FKFIOWCLSQSGNQ-UHFFFAOYSA-N 1 2 226.320 1.460 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000640228320 358939584 /nfs/dbraw/zinc/93/95/84/358939584.db2.gz FKFIOWCLSQSGNQ-UHFFFAOYSA-N 1 2 226.320 1.460 20 0 BDADLO Cc1cc(CNCc2c[nH+]c(N(C)C)n2C)on1 ZINC000070144000 359043024 /nfs/dbraw/zinc/04/30/24/359043024.db2.gz FXWVBAPFSKKWNI-UHFFFAOYSA-N 1 2 249.318 1.072 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(F)c1 ZINC000070979161 359067652 /nfs/dbraw/zinc/06/76/52/359067652.db2.gz LPMOLSYVCACLMC-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccccc1 ZINC000070979281 359068796 /nfs/dbraw/zinc/06/87/96/359068796.db2.gz BDKCJWDPIKKFHT-UHFFFAOYSA-N 1 2 229.283 1.611 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1C ZINC000070990134 359068952 /nfs/dbraw/zinc/06/89/52/359068952.db2.gz GOLYOTLYKGINEG-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO O=C(CCOc1ccccc1)NCc1[nH]cc[nH+]1 ZINC000070989864 359069011 /nfs/dbraw/zinc/06/90/11/359069011.db2.gz RZLDDYJSYRIWEX-UHFFFAOYSA-N 1 2 245.282 1.495 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000072979553 359094124 /nfs/dbraw/zinc/09/41/24/359094124.db2.gz KMBJOSWTECYFEH-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000072979553 359094128 /nfs/dbraw/zinc/09/41/28/359094128.db2.gz KMBJOSWTECYFEH-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1nccn1C ZINC000070445507 359055426 /nfs/dbraw/zinc/05/54/26/359055426.db2.gz VIRIQHSYTRFIKL-YPMHNXCESA-N 1 2 245.326 1.804 20 0 BDADLO Cc1ccoc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650741 359061767 /nfs/dbraw/zinc/06/17/67/359061767.db2.gz TYDWFAKMKZDZDR-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2CC)C[C@@H](C)O1 ZINC000247519035 359230336 /nfs/dbraw/zinc/23/03/36/359230336.db2.gz KOURZNCFPMTIGA-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CCOC(=O)c1nn(C)cc1C[N@H+]1CC=CCC1 ZINC000613742854 363632291 /nfs/dbraw/zinc/63/22/91/363632291.db2.gz QAIWCGPVGMSBFG-UHFFFAOYSA-N 1 2 249.314 1.359 20 0 BDADLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CC=CCC1 ZINC000613742854 363632294 /nfs/dbraw/zinc/63/22/94/363632294.db2.gz QAIWCGPVGMSBFG-UHFFFAOYSA-N 1 2 249.314 1.359 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000248137679 359256595 /nfs/dbraw/zinc/25/65/95/359256595.db2.gz PFFXORCTJOBZQF-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000248137679 359256599 /nfs/dbraw/zinc/25/65/99/359256599.db2.gz PFFXORCTJOBZQF-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO O=C(Nc1cnns1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613761047 363633839 /nfs/dbraw/zinc/63/38/39/363633839.db2.gz ACOJILTZIZCELA-LURJTMIESA-N 1 2 249.299 1.005 20 0 BDADLO O=C(Nc1cnns1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613761047 363633843 /nfs/dbraw/zinc/63/38/43/363633843.db2.gz ACOJILTZIZCELA-LURJTMIESA-N 1 2 249.299 1.005 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611648990 359408379 /nfs/dbraw/zinc/40/83/79/359408379.db2.gz GGPNSOABVZOHLS-VHSXEESVSA-N 1 2 233.315 1.526 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611648990 359408382 /nfs/dbraw/zinc/40/83/82/359408382.db2.gz GGPNSOABVZOHLS-VHSXEESVSA-N 1 2 233.315 1.526 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]12C[C@H]1COC2(C)C ZINC000611795315 359452549 /nfs/dbraw/zinc/45/25/49/359452549.db2.gz PSLODOZLMMEMNB-ZANVPECISA-N 1 2 249.314 1.149 20 0 BDADLO CC1CC(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611842345 359463233 /nfs/dbraw/zinc/46/32/33/359463233.db2.gz VDXYDMIIMOKYNG-KYHHOPLUSA-N 1 2 233.315 1.429 20 0 BDADLO CC1CC(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611842345 359463236 /nfs/dbraw/zinc/46/32/36/359463236.db2.gz VDXYDMIIMOKYNG-KYHHOPLUSA-N 1 2 233.315 1.429 20 0 BDADLO CCc1ocnc1C(=O)NCc1[nH+]ccn1CC ZINC000572423148 359493485 /nfs/dbraw/zinc/49/34/85/359493485.db2.gz SAFAMNQRFKFJQT-UHFFFAOYSA-N 1 2 248.286 1.383 20 0 BDADLO COC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000390638407 359507842 /nfs/dbraw/zinc/50/78/42/359507842.db2.gz MHQHZCWMLDMVPJ-VHSXEESVSA-N 1 2 231.336 1.446 20 0 BDADLO Cc1ccnc(CNC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000580447551 359563952 /nfs/dbraw/zinc/56/39/52/359563952.db2.gz KLHMNEFXNRYHGL-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO COC(=O)c1coc(Cn2cc[nH+]c2)c1 ZINC000171030479 359533015 /nfs/dbraw/zinc/53/30/15/359533015.db2.gz DFNCQFNJTTYHIQ-UHFFFAOYSA-N 1 2 206.201 1.311 20 0 BDADLO Cc1nc(N2CCC[C@H](C(C)C)CC2)nc(N)[nH+]1 ZINC000380791287 359654627 /nfs/dbraw/zinc/65/46/27/359654627.db2.gz LDGGFTUCOSSFRX-NSHDSACASA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](C(C)C)CC2)[nH+]1 ZINC000380791287 359654631 /nfs/dbraw/zinc/65/46/31/359654631.db2.gz LDGGFTUCOSSFRX-NSHDSACASA-N 1 2 249.362 1.855 20 0 BDADLO CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)[C@@H](C)O ZINC000450797470 202268792 /nfs/dbraw/zinc/26/87/92/202268792.db2.gz NIYHFAKPDGEVDR-XCBNKYQSSA-N 1 2 234.303 1.838 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2ccco2)CCO1 ZINC000628497296 359700836 /nfs/dbraw/zinc/70/08/36/359700836.db2.gz KQEZUJCZSMRWSH-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2ccco2)CCO1 ZINC000628497296 359700840 /nfs/dbraw/zinc/70/08/40/359700840.db2.gz KQEZUJCZSMRWSH-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2csnn2)CC[C@@H]1C ZINC000450832327 202281685 /nfs/dbraw/zinc/28/16/85/202281685.db2.gz VKHJSRQJEPIUGY-ATZCPNFKSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2csnn2)CC[C@@H]1C ZINC000450832327 202281688 /nfs/dbraw/zinc/28/16/88/202281688.db2.gz VKHJSRQJEPIUGY-ATZCPNFKSA-N 1 2 241.360 1.956 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000450926146 202311869 /nfs/dbraw/zinc/31/18/69/202311869.db2.gz KUZBHTLYTUPNLR-AOOOYVTPSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@@H]1C[C@@H](O)CN(c2cc[nH+]c3ccncc32)C1 ZINC000450947021 202317232 /nfs/dbraw/zinc/31/72/32/202317232.db2.gz XYKRXFNHDFZOJV-GHMZBOCLSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450993453 202330120 /nfs/dbraw/zinc/33/01/20/202330120.db2.gz QBNRLZGVVQFSRE-BDAKNGLRSA-N 1 2 242.298 1.785 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450993453 202330123 /nfs/dbraw/zinc/33/01/23/202330123.db2.gz QBNRLZGVVQFSRE-BDAKNGLRSA-N 1 2 242.298 1.785 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000612414556 359839349 /nfs/dbraw/zinc/83/93/49/359839349.db2.gz OPXPEBQMMDILLT-HBNTYKKESA-N 1 2 243.347 1.874 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613915349 363684169 /nfs/dbraw/zinc/68/41/69/363684169.db2.gz JLIZHDDFEMLMJD-VXGBXAGGSA-N 1 2 247.342 1.996 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451120624 202357118 /nfs/dbraw/zinc/35/71/18/202357118.db2.gz KXQFBAXUPHWVKY-GFCCVEGCSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451120624 202357121 /nfs/dbraw/zinc/35/71/21/202357121.db2.gz KXQFBAXUPHWVKY-GFCCVEGCSA-N 1 2 230.327 1.727 20 0 BDADLO COCC[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000079484516 370666334 /nfs/dbraw/zinc/66/63/34/370666334.db2.gz LKNXQTRSXXZXAT-UHFFFAOYSA-N 1 2 248.286 1.210 20 0 BDADLO COCC[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000079484516 370666335 /nfs/dbraw/zinc/66/63/35/370666335.db2.gz LKNXQTRSXXZXAT-UHFFFAOYSA-N 1 2 248.286 1.210 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451188710 202373963 /nfs/dbraw/zinc/37/39/63/202373963.db2.gz OJJWUEOYYRDTMH-ZJUUUORDSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451188710 202373966 /nfs/dbraw/zinc/37/39/66/202373966.db2.gz OJJWUEOYYRDTMH-ZJUUUORDSA-N 1 2 230.327 1.724 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@H](F)C2)n1 ZINC000451199635 202378214 /nfs/dbraw/zinc/37/82/14/202378214.db2.gz RLCQIKAVNLGQEO-DTWKUNHWSA-N 1 2 225.267 1.595 20 0 BDADLO CCc1cc(NCC2(CCO)CC2)nc[nH+]1 ZINC000133022228 491145500 /nfs/dbraw/zinc/14/55/00/491145500.db2.gz PBWYHARFJBTYGY-UHFFFAOYSA-N 1 2 221.304 1.614 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(CF)CC1 ZINC000451391958 202413977 /nfs/dbraw/zinc/41/39/77/202413977.db2.gz HJRMWUHQCHTFCU-UHFFFAOYSA-N 1 2 226.299 1.480 20 0 BDADLO Cc1ccc(CCNc2nc(C)[nH+]cc2C)cn1 ZINC000578765886 366643326 /nfs/dbraw/zinc/64/33/26/366643326.db2.gz RAQWQYMQGAENNZ-UHFFFAOYSA-N 1 2 242.326 1.873 20 0 BDADLO O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1COCC[NH2+]1 ZINC000088371636 359949922 /nfs/dbraw/zinc/94/99/22/359949922.db2.gz NEZSZHADQXQMLX-LBPRGKRZSA-N 1 2 245.282 1.095 20 0 BDADLO CC(=O)N1CC([NH2+][C@@H](C)c2cscn2)C1 ZINC000578786874 366648721 /nfs/dbraw/zinc/64/87/21/366648721.db2.gz XDSWXMQHDHOYSE-ZETCQYMHSA-N 1 2 225.317 1.024 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2ccn(C)n2)[nH+]c1C ZINC000578787070 366648769 /nfs/dbraw/zinc/64/87/69/366648769.db2.gz AWCQUBHCPIKIEZ-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO Cc1cccc(O)c1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000578785381 366649081 /nfs/dbraw/zinc/64/90/81/366649081.db2.gz IBYVLBXCOQGWBY-NSHDSACASA-N 1 2 248.326 1.979 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cc(C2CC2)no1 ZINC000578885206 366667034 /nfs/dbraw/zinc/66/70/34/366667034.db2.gz PRZFTOOMVLABCH-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO C[C@H](Oc1ccccc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000088753061 359975593 /nfs/dbraw/zinc/97/55/93/359975593.db2.gz CBNUAPAVVSMSSM-JTQLQIEISA-N 1 2 245.282 1.493 20 0 BDADLO C[C@H](Oc1ccccc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000088753061 359975595 /nfs/dbraw/zinc/97/55/95/359975595.db2.gz CBNUAPAVVSMSSM-JTQLQIEISA-N 1 2 245.282 1.493 20 0 BDADLO COc1cccc(F)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000088759091 359975692 /nfs/dbraw/zinc/97/56/92/359975692.db2.gz JLJJUADQFVDGMH-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1cccc(F)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000088759091 359975694 /nfs/dbraw/zinc/97/56/94/359975694.db2.gz JLJJUADQFVDGMH-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO Cc1cccc(OCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088752988 359975804 /nfs/dbraw/zinc/97/58/04/359975804.db2.gz JTLZSBPHMWPIJM-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO Cc1cccc(OCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088752988 359975807 /nfs/dbraw/zinc/97/58/07/359975807.db2.gz JTLZSBPHMWPIJM-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO O=C(Cc1cccc(F)c1)NCc1c[nH+]c[nH]1 ZINC000088753622 359976260 /nfs/dbraw/zinc/97/62/60/359976260.db2.gz UAZAWAXIZDKEOC-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO O=C(Cc1cccc(F)c1)NCc1c[nH]c[nH+]1 ZINC000088753622 359976266 /nfs/dbraw/zinc/97/62/66/359976266.db2.gz UAZAWAXIZDKEOC-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[C@@H]2C1 ZINC000628520141 360008084 /nfs/dbraw/zinc/00/80/84/360008084.db2.gz KNFPXELNQHNLOB-PHIMTYICSA-N 1 2 245.326 1.240 20 0 BDADLO CC(C)(O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631097166 360068178 /nfs/dbraw/zinc/06/81/78/360068178.db2.gz QVJSEFSHUIKTLI-UHFFFAOYSA-N 1 2 246.314 1.440 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnc2cnccn12 ZINC000091980394 360140006 /nfs/dbraw/zinc/14/00/06/360140006.db2.gz RBRJALRXZVVSPG-NSHDSACASA-N 1 2 246.314 1.340 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnc2cnccn12 ZINC000091980394 360140009 /nfs/dbraw/zinc/14/00/09/360140009.db2.gz RBRJALRXZVVSPG-NSHDSACASA-N 1 2 246.314 1.340 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539261 360116220 /nfs/dbraw/zinc/11/62/20/360116220.db2.gz OAKRRPLPWNZBIC-RKDXNWHRSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000091539261 360116223 /nfs/dbraw/zinc/11/62/23/360116223.db2.gz OAKRRPLPWNZBIC-RKDXNWHRSA-N 1 2 224.308 1.109 20 0 BDADLO CC(=O)N1CCC(Nc2ccc[nH+]c2C)CC1 ZINC000091495498 360117435 /nfs/dbraw/zinc/11/74/35/360117435.db2.gz QBNRWNZFSWGYHA-UHFFFAOYSA-N 1 2 233.315 1.813 20 0 BDADLO O=C(Nc1cccnc1)N1CC(n2cc[nH+]c2)C1 ZINC000537164303 360168028 /nfs/dbraw/zinc/16/80/28/360168028.db2.gz RCTWRDGOOIMZHG-UHFFFAOYSA-N 1 2 243.270 1.367 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000612908864 360172315 /nfs/dbraw/zinc/17/23/15/360172315.db2.gz JLPJRXDSDJAUAD-VXGBXAGGSA-N 1 2 247.342 1.638 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612909951 360173015 /nfs/dbraw/zinc/17/30/15/360173015.db2.gz RMZIRBZGIZLBCT-SNVBAGLBSA-N 1 2 247.342 1.629 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612909951 360173017 /nfs/dbraw/zinc/17/30/17/360173017.db2.gz RMZIRBZGIZLBCT-SNVBAGLBSA-N 1 2 247.342 1.629 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092968423 360208003 /nfs/dbraw/zinc/20/80/03/360208003.db2.gz KITRKMMKBCCGIR-CYBMUJFWSA-N 1 2 245.330 1.752 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092968423 360208006 /nfs/dbraw/zinc/20/80/06/360208006.db2.gz KITRKMMKBCCGIR-CYBMUJFWSA-N 1 2 245.330 1.752 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC000093316475 360229237 /nfs/dbraw/zinc/22/92/37/360229237.db2.gz ZLYVZJZLMXRBPN-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC000093316475 360229240 /nfs/dbraw/zinc/22/92/40/360229240.db2.gz ZLYVZJZLMXRBPN-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1ccncc1 ZINC000096477306 360348973 /nfs/dbraw/zinc/34/89/73/360348973.db2.gz ZPGZPGAXTWEPNY-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CCOC(=O)CSCc1[nH+]ccn1C ZINC000059962091 360424621 /nfs/dbraw/zinc/42/46/21/360424621.db2.gz GDPDYCRLSHLYCC-UHFFFAOYSA-N 1 2 214.290 1.216 20 0 BDADLO CCCCc1cc(NC[C@@H](O)C2CC2)nc[nH+]1 ZINC000631099808 360534321 /nfs/dbraw/zinc/53/43/21/360534321.db2.gz ZCZJPVJTTUNPBS-GFCCVEGCSA-N 1 2 235.331 1.424 20 0 BDADLO CC(C)(C(=O)N1CC2(C1)CCCO2)c1c[nH+]c[nH]1 ZINC000628789679 360654678 /nfs/dbraw/zinc/65/46/78/360654678.db2.gz KXLTVYQARGNLPO-UHFFFAOYSA-N 1 2 249.314 1.079 20 0 BDADLO CCC(F)(F)CNC(=O)CCc1c[nH+]cn1C ZINC000628840872 360690519 /nfs/dbraw/zinc/69/05/19/360690519.db2.gz FGZZYIKDWZIULG-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N(C1CC1)C1CC1 ZINC000628812532 360664567 /nfs/dbraw/zinc/66/45/67/360664567.db2.gz GZVQWVSBVYCIKY-VIFPVBQESA-N 1 2 245.326 1.668 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N(C1CC1)C1CC1 ZINC000628812532 360664569 /nfs/dbraw/zinc/66/45/69/360664569.db2.gz GZVQWVSBVYCIKY-VIFPVBQESA-N 1 2 245.326 1.668 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(C1CC1)C1CC1 ZINC000628815458 360668019 /nfs/dbraw/zinc/66/80/19/360668019.db2.gz TUJPWFCFCNXUAZ-SNVBAGLBSA-N 1 2 245.326 1.599 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915412 360749582 /nfs/dbraw/zinc/74/95/82/360749582.db2.gz RVRPTTGDSLFQBW-TUAOUCFPSA-N 1 2 242.363 1.115 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915412 360749586 /nfs/dbraw/zinc/74/95/86/360749586.db2.gz RVRPTTGDSLFQBW-TUAOUCFPSA-N 1 2 242.363 1.115 20 0 BDADLO C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000628917414 360752700 /nfs/dbraw/zinc/75/27/00/360752700.db2.gz NQSOGEXLFRNGOZ-MNOVXSKESA-N 1 2 242.363 1.115 20 0 BDADLO C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)C(C)(C)C ZINC000628917414 360752704 /nfs/dbraw/zinc/75/27/04/360752704.db2.gz NQSOGEXLFRNGOZ-MNOVXSKESA-N 1 2 242.363 1.115 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CCCC1 ZINC000628926933 360759573 /nfs/dbraw/zinc/75/95/73/360759573.db2.gz ZNQKURGYVGGYEO-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1CCCC1 ZINC000628926933 360759575 /nfs/dbraw/zinc/75/95/75/360759575.db2.gz ZNQKURGYVGGYEO-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000629031703 360809190 /nfs/dbraw/zinc/80/91/90/360809190.db2.gz SOXDPUUNJBRTQF-UFFNRZRYSA-N 1 2 233.315 1.446 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000629033467 360817934 /nfs/dbraw/zinc/81/79/34/360817934.db2.gz VRJLCDRXLLHODF-HIHHVFROSA-N 1 2 219.288 1.216 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000629034722 360822062 /nfs/dbraw/zinc/82/20/62/360822062.db2.gz NEXHIAUTCQKUSB-PBKGFPTLSA-N 1 2 219.288 1.138 20 0 BDADLO CCn1c[nH+]cc1CN=c1[nH]occ1C ZINC000578978526 366684607 /nfs/dbraw/zinc/68/46/07/366684607.db2.gz RJWHNIQSUOFXKD-UHFFFAOYSA-N 1 2 206.249 1.233 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CSC[NH2+]2)s1 ZINC000155925745 360935331 /nfs/dbraw/zinc/93/53/31/360935331.db2.gz FFPXUWVAIGFNLW-ZETCQYMHSA-N 1 2 243.357 1.307 20 0 BDADLO CCCCc1cc(NCC2(CO)CCC2)nc[nH+]1 ZINC000631208293 361055235 /nfs/dbraw/zinc/05/52/35/361055235.db2.gz ULABRNJQCJCYFU-UHFFFAOYSA-N 1 2 249.358 1.816 20 0 BDADLO C[C@H](C[N@H+](C)Cc1cn[nH]n1)C(C)(C)C ZINC000640348830 361070046 /nfs/dbraw/zinc/07/00/46/361070046.db2.gz SGIWTTQJENBKQU-SECBINFHSA-N 1 2 210.325 1.919 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1cn[nH]n1)C(C)(C)C ZINC000640348830 361070048 /nfs/dbraw/zinc/07/00/48/361070048.db2.gz SGIWTTQJENBKQU-SECBINFHSA-N 1 2 210.325 1.919 20 0 BDADLO COc1nccnc1C[NH2+]Cc1conc1C ZINC000631209244 361071360 /nfs/dbraw/zinc/07/13/60/361071360.db2.gz TYRPYVCUQRDEPA-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO O=C(Cc1ccco1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000169798288 361131991 /nfs/dbraw/zinc/13/19/91/361131991.db2.gz MLMTXKADOBVQJM-JTQLQIEISA-N 1 2 245.282 1.150 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000169798313 361132528 /nfs/dbraw/zinc/13/25/28/361132528.db2.gz OTZSVHKCNBZHNX-GFCCVEGCSA-N 1 2 241.294 1.628 20 0 BDADLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)nc(C)n1 ZINC000640406078 361201509 /nfs/dbraw/zinc/20/15/09/361201509.db2.gz HUDACSLCJSCPHH-UHFFFAOYSA-N 1 2 246.274 1.138 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640477170 361252270 /nfs/dbraw/zinc/25/22/70/361252270.db2.gz RFJATVIRCBYKLN-CABZTGNLSA-N 1 2 238.356 1.833 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640477170 361252274 /nfs/dbraw/zinc/25/22/74/361252274.db2.gz RFJATVIRCBYKLN-CABZTGNLSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000332979272 361241714 /nfs/dbraw/zinc/24/17/14/361241714.db2.gz KJTROTALFYFNCV-BDAKNGLRSA-N 1 2 225.267 1.267 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000332979272 361241718 /nfs/dbraw/zinc/24/17/18/361241718.db2.gz KJTROTALFYFNCV-BDAKNGLRSA-N 1 2 225.267 1.267 20 0 BDADLO C[C@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332982095 361275775 /nfs/dbraw/zinc/27/57/75/361275775.db2.gz PLBOZCXOSGMMFA-WDEREUQCSA-N 1 2 248.330 1.392 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C1CC1 ZINC000575001989 361287469 /nfs/dbraw/zinc/28/74/69/361287469.db2.gz UAVDJDNOWURTFM-BDAKNGLRSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C1CC1 ZINC000575001989 361287475 /nfs/dbraw/zinc/28/74/75/361287475.db2.gz UAVDJDNOWURTFM-BDAKNGLRSA-N 1 2 221.304 1.503 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578991775 366689008 /nfs/dbraw/zinc/68/90/08/366689008.db2.gz GGIQUZGMBNGJSU-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(C3CCCC3)no1)C2 ZINC000640482984 361256954 /nfs/dbraw/zinc/25/69/54/361256954.db2.gz UFCAGYHUSHIXSU-GWCFXTLKSA-N 1 2 249.314 1.294 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(C3CCCC3)no1)C2 ZINC000640482984 361256959 /nfs/dbraw/zinc/25/69/59/361256959.db2.gz UFCAGYHUSHIXSU-GWCFXTLKSA-N 1 2 249.314 1.294 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1csc(C3CC3)n1)C2 ZINC000640481987 361267644 /nfs/dbraw/zinc/26/76/44/361267644.db2.gz OXDFCEZHANNRRX-BXKDBHETSA-N 1 2 236.340 1.587 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC000640481987 361267649 /nfs/dbraw/zinc/26/76/49/361267649.db2.gz OXDFCEZHANNRRX-BXKDBHETSA-N 1 2 236.340 1.587 20 0 BDADLO CO[C@](C)(C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000579064607 366702909 /nfs/dbraw/zinc/70/29/09/366702909.db2.gz UOZOXPJORABPFV-ZDUSSCGKSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@H](O)[C@H](NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000579015257 366696396 /nfs/dbraw/zinc/69/63/96/366696396.db2.gz MYMHLFQMAIUPJI-ZANVPECISA-N 1 2 249.289 1.761 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000579015257 366696403 /nfs/dbraw/zinc/69/64/03/366696403.db2.gz MYMHLFQMAIUPJI-ZANVPECISA-N 1 2 249.289 1.761 20 0 BDADLO Cc1nc(N2CC[C@H](OC(F)F)C2)cc[nH+]1 ZINC000579026880 366699592 /nfs/dbraw/zinc/69/95/92/366699592.db2.gz CIQTYXUZOFVTKH-QMMMGPOBSA-N 1 2 229.230 1.603 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579241150 366743315 /nfs/dbraw/zinc/74/33/15/366743315.db2.gz DGALCQFVDLASSN-ZMLRMANQSA-N 1 2 235.331 1.749 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579241150 366743324 /nfs/dbraw/zinc/74/33/24/366743324.db2.gz DGALCQFVDLASSN-ZMLRMANQSA-N 1 2 235.331 1.749 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)ncn1 ZINC000428355341 201011093 /nfs/dbraw/zinc/01/10/93/201011093.db2.gz OXPUXZDPOKNSKF-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)ncn1 ZINC000428355341 201011095 /nfs/dbraw/zinc/01/10/95/201011095.db2.gz OXPUXZDPOKNSKF-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO CN(C)c1ccc(CNC(=O)CC2(C)CC2)c[nH+]1 ZINC000428366625 201011129 /nfs/dbraw/zinc/01/11/29/201011129.db2.gz XWFUWVIFWPVKDV-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000428419833 201013659 /nfs/dbraw/zinc/01/36/59/201013659.db2.gz HJMIZIQHNCWMSG-RISCZKNCSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000428419833 201013663 /nfs/dbraw/zinc/01/36/63/201013663.db2.gz HJMIZIQHNCWMSG-RISCZKNCSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1cc(C[NH2+][C@H](CCO)c2ccco2)ncn1 ZINC000428428415 201015377 /nfs/dbraw/zinc/01/53/77/201015377.db2.gz WSTDNBHGVFIRAN-GFCCVEGCSA-N 1 2 247.298 1.591 20 0 BDADLO COCC[N@H+](Cc1nnc(C(C)C)[nH]1)C1CC1 ZINC000428423898 201016022 /nfs/dbraw/zinc/01/60/22/201016022.db2.gz RYBHSQLCLFYPSS-UHFFFAOYSA-N 1 2 238.335 1.539 20 0 BDADLO COCC[N@@H+](Cc1nnc(C(C)C)[nH]1)C1CC1 ZINC000428423898 201016025 /nfs/dbraw/zinc/01/60/25/201016025.db2.gz RYBHSQLCLFYPSS-UHFFFAOYSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CCO)c2ccco2)ncn1 ZINC000428428416 201016224 /nfs/dbraw/zinc/01/62/24/201016224.db2.gz WSTDNBHGVFIRAN-LBPRGKRZSA-N 1 2 247.298 1.591 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000428462424 201019194 /nfs/dbraw/zinc/01/91/94/201019194.db2.gz LAESBALOHCBNIK-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000428462424 201019196 /nfs/dbraw/zinc/01/91/96/201019196.db2.gz LAESBALOHCBNIK-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cnc(C[NH2+]Cc2snnc2C)s1 ZINC000394733254 361328173 /nfs/dbraw/zinc/32/81/73/361328173.db2.gz PNNAVDGUUXGFRR-UHFFFAOYSA-N 1 2 240.357 1.901 20 0 BDADLO C[C@](O)(CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000309788733 491156547 /nfs/dbraw/zinc/15/65/47/491156547.db2.gz TYXSKVCSGFHEPN-JTQLQIEISA-N 1 2 242.710 1.285 20 0 BDADLO C[C@](O)(CNc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000309788733 491156548 /nfs/dbraw/zinc/15/65/48/491156548.db2.gz TYXSKVCSGFHEPN-JTQLQIEISA-N 1 2 242.710 1.285 20 0 BDADLO CCCc1nc(C)c(C[N@H+](CC)CC(N)=O)o1 ZINC000428941435 201049044 /nfs/dbraw/zinc/04/90/44/201049044.db2.gz ISOYSOYCUDDCBR-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CCCc1nc(C)c(C[N@@H+](CC)CC(N)=O)o1 ZINC000428941435 201049046 /nfs/dbraw/zinc/04/90/46/201049046.db2.gz ISOYSOYCUDDCBR-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CC(=O)Nc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000428863816 201045444 /nfs/dbraw/zinc/04/54/44/201045444.db2.gz ZEULWPHFHSMFKY-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO C[C@](O)(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000614276869 363768871 /nfs/dbraw/zinc/76/88/71/363768871.db2.gz XGXXMADYPGZMHC-CYBMUJFWSA-N 1 2 245.282 1.434 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614243788 363760002 /nfs/dbraw/zinc/76/00/02/363760002.db2.gz FGZOPQPFGNEYLD-KXUCPTDWSA-N 1 2 233.315 1.524 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614243788 363760009 /nfs/dbraw/zinc/76/00/09/363760009.db2.gz FGZOPQPFGNEYLD-KXUCPTDWSA-N 1 2 233.315 1.524 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cccc(C)n2)o1 ZINC000397922099 363785052 /nfs/dbraw/zinc/78/50/52/363785052.db2.gz OPFGTRCUONZSDH-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CSCC[N@H+](C)Cc1nncn1C(C)C ZINC000429281659 201092610 /nfs/dbraw/zinc/09/26/10/201092610.db2.gz CVTUCFDFTZLUEE-UHFFFAOYSA-N 1 2 228.365 1.654 20 0 BDADLO CSCC[N@@H+](C)Cc1nncn1C(C)C ZINC000429281659 201092614 /nfs/dbraw/zinc/09/26/14/201092614.db2.gz CVTUCFDFTZLUEE-UHFFFAOYSA-N 1 2 228.365 1.654 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)[C@H]1CCOC1 ZINC000429282628 201084153 /nfs/dbraw/zinc/08/41/53/201084153.db2.gz GBPDBKHEVXLWHC-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000429282628 201084156 /nfs/dbraw/zinc/08/41/56/201084156.db2.gz GBPDBKHEVXLWHC-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1noc(C)n1 ZINC000429237486 201084454 /nfs/dbraw/zinc/08/44/54/201084454.db2.gz XBAJIIPLIRRJEK-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1noc(C)n1 ZINC000429237486 201084457 /nfs/dbraw/zinc/08/44/57/201084457.db2.gz XBAJIIPLIRRJEK-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO CSC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000429288849 201095599 /nfs/dbraw/zinc/09/55/99/201095599.db2.gz CHQRNLDORHLYAD-QMMMGPOBSA-N 1 2 242.348 1.085 20 0 BDADLO CSC[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000429288849 201095601 /nfs/dbraw/zinc/09/56/01/201095601.db2.gz CHQRNLDORHLYAD-QMMMGPOBSA-N 1 2 242.348 1.085 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429315886 201097465 /nfs/dbraw/zinc/09/74/65/201097465.db2.gz HDPPIQXVEBITTP-PSASIEDQSA-N 1 2 235.283 1.011 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000429321917 201100744 /nfs/dbraw/zinc/10/07/44/201100744.db2.gz ZXGIPFIBYXDTHO-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1ccncc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000429321917 201100747 /nfs/dbraw/zinc/10/07/47/201100747.db2.gz ZXGIPFIBYXDTHO-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C)CC1 ZINC000429723853 201128626 /nfs/dbraw/zinc/12/86/26/201128626.db2.gz NXUGYGGBCSHBLJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](CNC(=O)CC1(C)CC1)Cn1cc[nH+]c1 ZINC000429903529 201134577 /nfs/dbraw/zinc/13/45/77/201134577.db2.gz OVCJDPGMUUQCQX-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO NC(=O)C1([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000152424344 201198842 /nfs/dbraw/zinc/19/88/42/201198842.db2.gz BVNWXUBDXXFULT-UHFFFAOYSA-N 1 2 242.681 1.587 20 0 BDADLO CO[C@H]1CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000433780714 201193112 /nfs/dbraw/zinc/19/31/12/201193112.db2.gz CTYRYSQWQXOBQO-VIFPVBQESA-N 1 2 232.287 1.491 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@](C)(O)C2CC2)[nH+]1 ZINC000433792162 201193185 /nfs/dbraw/zinc/19/31/85/201193185.db2.gz LSAARLHZZFTRSB-CYBMUJFWSA-N 1 2 246.314 1.261 20 0 BDADLO CCOC1C[NH+](Cc2c(C)noc2C)C1 ZINC000448552777 201244939 /nfs/dbraw/zinc/24/49/39/201244939.db2.gz XGYJJWKZHQAHCS-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO C[N@H+](CCCCC(F)(F)F)Cc1nnc[nH]1 ZINC000434622156 201230167 /nfs/dbraw/zinc/23/01/67/201230167.db2.gz BAIPLTRWJRKMNE-UHFFFAOYSA-N 1 2 236.241 1.969 20 0 BDADLO C[N@@H+](CCCCC(F)(F)F)Cc1nnc[nH]1 ZINC000434622156 201230169 /nfs/dbraw/zinc/23/01/69/201230169.db2.gz BAIPLTRWJRKMNE-UHFFFAOYSA-N 1 2 236.241 1.969 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000448556655 201263063 /nfs/dbraw/zinc/26/30/63/201263063.db2.gz QFPCCQHLBKHNFA-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000448556655 201263066 /nfs/dbraw/zinc/26/30/66/201263066.db2.gz QFPCCQHLBKHNFA-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCNc1ccc(-c2cnn(CCOC)c2)c[nH+]1 ZINC000629752298 361683837 /nfs/dbraw/zinc/68/38/37/361683837.db2.gz SOYMGBPTOOKECV-UHFFFAOYSA-N 1 2 246.314 1.445 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCOC ZINC000622082272 370697917 /nfs/dbraw/zinc/69/79/17/370697917.db2.gz KGGADGVLNVXLLE-SNVBAGLBSA-N 1 2 239.319 1.507 20 0 BDADLO OCc1ccc(C[NH+]2CC(OC(F)F)C2)cc1 ZINC000398819965 363893117 /nfs/dbraw/zinc/89/31/17/363893117.db2.gz CGAFUZZDNFLHCR-UHFFFAOYSA-N 1 2 243.253 1.602 20 0 BDADLO COc1cccnc1NCCCn1cc[nH+]c1 ZINC000127763720 363987252 /nfs/dbraw/zinc/98/72/52/363987252.db2.gz QNYLZBDFQROMHF-UHFFFAOYSA-N 1 2 232.287 1.789 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccccn1 ZINC000630409399 364142486 /nfs/dbraw/zinc/14/24/86/364142486.db2.gz PWDBWNXHYHZJHT-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO C[NH+]1CCN(C(=O)c2cscc2Cl)CC1 ZINC000630388990 364105967 /nfs/dbraw/zinc/10/59/67/364105967.db2.gz NJKIICZQBDHKFB-UHFFFAOYSA-N 1 2 244.747 1.789 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccn(C)n1 ZINC000622083032 370699429 /nfs/dbraw/zinc/69/94/29/370699429.db2.gz WUPCTHTWLQCKQP-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCCC12CC2 ZINC000630419225 364153665 /nfs/dbraw/zinc/15/36/65/364153665.db2.gz QDRFLMDQXHDBOA-LLVKDONJSA-N 1 2 248.330 1.515 20 0 BDADLO COCC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000079981646 370711038 /nfs/dbraw/zinc/71/10/38/370711038.db2.gz LXWXQAAECFYAKF-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@@H](C)c2[nH+]ccn2C)[nH]1 ZINC000622182004 370751371 /nfs/dbraw/zinc/75/13/71/370751371.db2.gz QNNATIWQKMQLOT-QMMMGPOBSA-N 1 2 247.302 1.251 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000073950849 364241334 /nfs/dbraw/zinc/24/13/34/364241334.db2.gz WIELIGUKKMVCPO-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]1C(F)(F)F ZINC000615028964 364394979 /nfs/dbraw/zinc/39/49/79/364394979.db2.gz FKCCMPSHTYLWCZ-MRVPVSSYSA-N 1 2 247.220 1.126 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnoc1C ZINC000181685101 366837483 /nfs/dbraw/zinc/83/74/83/366837483.db2.gz ZZVFNASWNDPMRT-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnoc1C ZINC000181685101 366837488 /nfs/dbraw/zinc/83/74/88/366837488.db2.gz ZZVFNASWNDPMRT-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO Cc1oncc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000181740707 366844063 /nfs/dbraw/zinc/84/40/63/366844063.db2.gz RZGRDPKYIVDHQY-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1oncc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000181740707 366844066 /nfs/dbraw/zinc/84/40/66/366844066.db2.gz RZGRDPKYIVDHQY-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO COCc1noc([C@H](C)[N@H+](C)CCSC)n1 ZINC000182024510 366860707 /nfs/dbraw/zinc/86/07/07/366860707.db2.gz UBASAYFUOFKZMR-QMMMGPOBSA-N 1 2 245.348 1.572 20 0 BDADLO COCc1noc([C@H](C)[N@@H+](C)CCSC)n1 ZINC000182024510 366860709 /nfs/dbraw/zinc/86/07/09/366860709.db2.gz UBASAYFUOFKZMR-QMMMGPOBSA-N 1 2 245.348 1.572 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CCCF ZINC000615234003 364649881 /nfs/dbraw/zinc/64/98/81/364649881.db2.gz UMWPLYSLOGTWQO-UHFFFAOYSA-N 1 2 226.251 1.456 20 0 BDADLO CC(C)C1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000615358715 364726044 /nfs/dbraw/zinc/72/60/44/364726044.db2.gz PHUBJFPXWYDHPH-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCCC1 ZINC000573264174 364790570 /nfs/dbraw/zinc/79/05/70/364790570.db2.gz WGSJFOKZBLXTEI-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCCC1 ZINC000573264174 364790572 /nfs/dbraw/zinc/79/05/72/364790572.db2.gz WGSJFOKZBLXTEI-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000573577619 364867444 /nfs/dbraw/zinc/86/74/44/364867444.db2.gz WIAIWBHNRFAFDK-YUMQZZPRSA-N 1 2 243.257 1.420 20 0 BDADLO CC(C)(C(=O)N1CCC[C@@H](F)C1)c1c[nH+]c[nH]1 ZINC000573620173 364876941 /nfs/dbraw/zinc/87/69/41/364876941.db2.gz OFANYXGRJULBAD-SECBINFHSA-N 1 2 239.294 1.648 20 0 BDADLO CC(C)C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000573772214 364912395 /nfs/dbraw/zinc/91/23/95/364912395.db2.gz WATLTGWMDYEFGA-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO CCc1cc(N2C[C@@H](C)OC[C@H]2C)nc(C)[nH+]1 ZINC000248440591 541430445 /nfs/dbraw/zinc/43/04/45/541430445.db2.gz UTLLXJWBAMBREJ-NXEZZACHSA-N 1 2 235.331 1.961 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015260 541424659 /nfs/dbraw/zinc/42/46/59/541424659.db2.gz QFKUQWPUBBHZGX-ZJUUUORDSA-N 1 2 221.304 1.473 20 0 BDADLO CC[N@H+](Cc1cc(C(C)=O)no1)[C@H]1CCOC1 ZINC000573979516 364959823 /nfs/dbraw/zinc/95/98/23/364959823.db2.gz MNNSFIVWSPZZNR-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO CC[N@@H+](Cc1cc(C(C)=O)no1)[C@H]1CCOC1 ZINC000573979516 364959829 /nfs/dbraw/zinc/95/98/29/364959829.db2.gz MNNSFIVWSPZZNR-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO c1nnc([C@H]([NH2+]C2CCC2)c2cccnc2)[nH]1 ZINC000573985684 364962299 /nfs/dbraw/zinc/96/22/99/364962299.db2.gz COQNIEDTDCGOFF-LLVKDONJSA-N 1 2 229.287 1.431 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574159954 364999389 /nfs/dbraw/zinc/99/93/89/364999389.db2.gz WOGBMEQGBGVZAV-FOUMNBMASA-N 1 2 245.326 1.360 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCOCC1CC1)C2 ZINC000574196086 365008462 /nfs/dbraw/zinc/00/84/62/365008462.db2.gz UAVLAQOLXKIPFA-UHFFFAOYSA-N 1 2 218.300 1.824 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCOCC1CC1)C2 ZINC000574196086 365008466 /nfs/dbraw/zinc/00/84/66/365008466.db2.gz UAVLAQOLXKIPFA-UHFFFAOYSA-N 1 2 218.300 1.824 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCC[C@](C)(O)C2)on1 ZINC000574355467 365044730 /nfs/dbraw/zinc/04/47/30/365044730.db2.gz UZJATCKZYPQKKV-LBPRGKRZSA-N 1 2 238.287 1.224 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCC[C@](C)(O)C2)on1 ZINC000574355467 365044737 /nfs/dbraw/zinc/04/47/37/365044737.db2.gz UZJATCKZYPQKKV-LBPRGKRZSA-N 1 2 238.287 1.224 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC000574577563 365095019 /nfs/dbraw/zinc/09/50/19/365095019.db2.gz CFMHPRJTCQENKY-UWVGGRQHSA-N 1 2 221.304 1.749 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1cccnc1 ZINC000574681394 365117954 /nfs/dbraw/zinc/11/79/54/365117954.db2.gz QZMQMPGRPYCDOT-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO CC1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000622240639 370791060 /nfs/dbraw/zinc/79/10/60/370791060.db2.gz XBPKXYMFOWLZCJ-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000171204635 365178274 /nfs/dbraw/zinc/17/82/74/365178274.db2.gz DLCJYGNLXTVDBN-UHFFFAOYSA-N 1 2 241.335 1.882 20 0 BDADLO c1cc2[nH+]ccc(NC[C@@H]3CCOC3)c2cn1 ZINC000444117211 193035379 /nfs/dbraw/zinc/03/53/79/193035379.db2.gz YLHOLLNRURSVBB-JTQLQIEISA-N 1 2 229.283 1.500 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc2n[nH]cc21 ZINC000443377132 193018957 /nfs/dbraw/zinc/01/89/57/193018957.db2.gz XWJPXABHAJBZRM-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc2n[nH]cc21 ZINC000443377132 193018960 /nfs/dbraw/zinc/01/89/60/193018960.db2.gz XWJPXABHAJBZRM-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO COCCN(C)c1[nH+]c2cccc(F)c2n1C ZINC000443514296 193023011 /nfs/dbraw/zinc/02/30/11/193023011.db2.gz ZKYCQNWJIDFYBW-UHFFFAOYSA-N 1 2 237.278 1.795 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1csnn1 ZINC000443783002 193028892 /nfs/dbraw/zinc/02/88/92/193028892.db2.gz CMAHRBGONKXGQP-FXPVBKGRSA-N 1 2 241.360 1.519 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1csnn1 ZINC000443783002 193028894 /nfs/dbraw/zinc/02/88/94/193028894.db2.gz CMAHRBGONKXGQP-FXPVBKGRSA-N 1 2 241.360 1.519 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000575227685 365252378 /nfs/dbraw/zinc/25/23/78/365252378.db2.gz GEWXOGVZFAIQDW-ZYHUDNBSSA-N 1 2 233.315 1.703 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCCCO1 ZINC000157995949 193046390 /nfs/dbraw/zinc/04/63/90/193046390.db2.gz DNFUBPUEQGDICC-SNVBAGLBSA-N 1 2 222.244 1.295 20 0 BDADLO CCN(CC1CC1)c1[nH+]cnc2c1cnn2C ZINC000171987533 365265945 /nfs/dbraw/zinc/26/59/45/365265945.db2.gz HHZBJIOQOVKWQG-UHFFFAOYSA-N 1 2 231.303 1.600 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)CO ZINC000575881323 365403832 /nfs/dbraw/zinc/40/38/32/365403832.db2.gz NLGLJYNLBOVVNR-VIFPVBQESA-N 1 2 239.319 1.099 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(C(F)F)CCCC1 ZINC000576208725 365521589 /nfs/dbraw/zinc/52/15/89/365521589.db2.gz JSMXTONKFPUYMD-UHFFFAOYSA-N 1 2 243.257 1.851 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000357230891 541488444 /nfs/dbraw/zinc/48/84/44/541488444.db2.gz YTPSSUFILQHTDJ-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000357230891 541488449 /nfs/dbraw/zinc/48/84/49/541488449.db2.gz YTPSSUFILQHTDJ-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000357230216 541488728 /nfs/dbraw/zinc/48/87/28/541488728.db2.gz YTPSSUFILQHTDJ-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000357230216 541488731 /nfs/dbraw/zinc/48/87/31/541488731.db2.gz YTPSSUFILQHTDJ-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](n3cncn3)C2)o1 ZINC000681600646 541492756 /nfs/dbraw/zinc/49/27/56/541492756.db2.gz AAGZTQJEKDXHQU-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](n3cncn3)C2)o1 ZINC000681600646 541492760 /nfs/dbraw/zinc/49/27/60/541492760.db2.gz AAGZTQJEKDXHQU-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000183033149 366967887 /nfs/dbraw/zinc/96/78/87/366967887.db2.gz ZGOPJCJAXBSTAD-ZJUUUORDSA-N 1 2 248.330 1.547 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C ZINC000579728165 366994884 /nfs/dbraw/zinc/99/48/84/366994884.db2.gz DBRZCVRYBPKQOL-MRVPVSSYSA-N 1 2 209.293 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C ZINC000579728165 366994888 /nfs/dbraw/zinc/99/48/88/366994888.db2.gz DBRZCVRYBPKQOL-MRVPVSSYSA-N 1 2 209.293 1.503 20 0 BDADLO COC[C@H]([NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000183430070 367022851 /nfs/dbraw/zinc/02/28/51/367022851.db2.gz HXQBKZMFUBFOKA-JTQLQIEISA-N 1 2 237.303 1.462 20 0 BDADLO FC(F)(F)Cn1cc(CNc2c[nH]c[nH+]2)cn1 ZINC000579774406 367003906 /nfs/dbraw/zinc/00/39/06/367003906.db2.gz UCMMXYCVUPEYRZ-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCC(=O)C1 ZINC000579836946 367039439 /nfs/dbraw/zinc/03/94/39/367039439.db2.gz OJNAISGCCLBRJT-NXEZZACHSA-N 1 2 249.314 1.449 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000579875023 367059401 /nfs/dbraw/zinc/05/94/01/367059401.db2.gz MGTLUNMROQGESK-SSDOTTSWSA-N 1 2 243.257 1.601 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000579875023 367059405 /nfs/dbraw/zinc/05/94/05/367059405.db2.gz MGTLUNMROQGESK-SSDOTTSWSA-N 1 2 243.257 1.601 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000579992560 367117495 /nfs/dbraw/zinc/11/74/95/367117495.db2.gz DSKLGFJRCOHCGN-ZJUUUORDSA-N 1 2 221.304 1.220 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000580025964 367135894 /nfs/dbraw/zinc/13/58/94/367135894.db2.gz FQRAXQSTPZAIAP-MXWKQRLJSA-N 1 2 243.347 1.874 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000580807772 367170493 /nfs/dbraw/zinc/17/04/93/367170493.db2.gz REVNKOJVIIOINV-PHIMTYICSA-N 1 2 219.288 1.142 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC(C)(C)CC ZINC000622294004 370827249 /nfs/dbraw/zinc/82/72/49/370827249.db2.gz FEQJSKWRSFXDES-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC(C)(C)CC ZINC000622294004 370827253 /nfs/dbraw/zinc/82/72/53/370827253.db2.gz FEQJSKWRSFXDES-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@@]23CCNC3=O)o1 ZINC000580960565 367218446 /nfs/dbraw/zinc/21/84/46/367218446.db2.gz QWJGRLMSETXREB-ZDUSSCGKSA-N 1 2 249.314 1.092 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@@]23CCNC3=O)o1 ZINC000580960565 367218449 /nfs/dbraw/zinc/21/84/49/367218449.db2.gz QWJGRLMSETXREB-ZDUSSCGKSA-N 1 2 249.314 1.092 20 0 BDADLO C[C@@H](F)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581015562 367236931 /nfs/dbraw/zinc/23/69/31/367236931.db2.gz YHRMIBPNUUJHRT-ZJUUUORDSA-N 1 2 227.283 1.699 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc(C)sc1C ZINC000195025733 367332440 /nfs/dbraw/zinc/33/24/40/367332440.db2.gz YBYPTHAXSYRFDG-UHFFFAOYSA-N 1 2 227.329 1.970 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc(C)sc1C ZINC000195025733 367332446 /nfs/dbraw/zinc/33/24/46/367332446.db2.gz YBYPTHAXSYRFDG-UHFFFAOYSA-N 1 2 227.329 1.970 20 0 BDADLO Cc1ccc(-c2noc(Cc3c[nH+]cn3C)n2)o1 ZINC000581280333 367316030 /nfs/dbraw/zinc/31/60/30/367316030.db2.gz JZNNTDIAXCJQJA-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO C[C@H](NCc1ncccc1F)c1[nH]cc[nH+]1 ZINC000381355955 367386584 /nfs/dbraw/zinc/38/65/84/367386584.db2.gz CSFMLNDAWZVOJS-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565310606 325894859 /nfs/dbraw/zinc/89/48/59/325894859.db2.gz XNKBVRDPCGYCQX-IUCAKERBSA-N 1 2 237.303 1.186 20 0 BDADLO NC(=O)C1([NH2+]Cc2nc(C3CC3)cs2)CC1 ZINC000381479617 367416239 /nfs/dbraw/zinc/41/62/39/367416239.db2.gz CDHQKRQZSRNKOO-UHFFFAOYSA-N 1 2 237.328 1.128 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C(=O)OC ZINC000381508205 367422171 /nfs/dbraw/zinc/42/21/71/367422171.db2.gz KHZUXTUIFVJETC-DTWKUNHWSA-N 1 2 235.274 1.963 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H](O)C(C)(C)C1 ZINC000581440059 367472782 /nfs/dbraw/zinc/47/27/82/367472782.db2.gz SRIUZDWKPIWIDP-SNVBAGLBSA-N 1 2 221.304 1.301 20 0 BDADLO CCCCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000581508021 367532462 /nfs/dbraw/zinc/53/24/62/367532462.db2.gz XGPLCDMBVMZUNF-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO CCc1nsc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382443058 367525292 /nfs/dbraw/zinc/52/52/92/367525292.db2.gz HCYYPVYBDZXYGR-HTQZYQBOSA-N 1 2 226.349 1.062 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581550461 367581978 /nfs/dbraw/zinc/58/19/78/367581978.db2.gz AJPYWHLWWACCNE-NWDGAFQWSA-N 1 2 249.358 1.854 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000565650197 325938053 /nfs/dbraw/zinc/93/80/53/325938053.db2.gz RKVMIGVTJXAVQK-DTWKUNHWSA-N 1 2 225.292 1.402 20 0 BDADLO C[C@@H](CCCO)CNc1[nH+]cnc2c1cnn2C ZINC000384448588 367691117 /nfs/dbraw/zinc/69/11/17/367691117.db2.gz GHIFHHSIKBXFPF-VIFPVBQESA-N 1 2 249.318 1.184 20 0 BDADLO Cc1nnc(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000622368085 370872263 /nfs/dbraw/zinc/87/22/63/370872263.db2.gz IGFGDBWPOHUZDH-UHFFFAOYSA-N 1 2 234.284 1.224 20 0 BDADLO CC1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000081353579 370874626 /nfs/dbraw/zinc/87/46/26/370874626.db2.gz YVLOAXQMSLEQBC-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](CO)[C@H]2CC)no1 ZINC000385863624 367870953 /nfs/dbraw/zinc/87/09/53/367870953.db2.gz HUXPEKXAINOQDB-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)no1 ZINC000385863624 367870958 /nfs/dbraw/zinc/87/09/58/367870958.db2.gz HUXPEKXAINOQDB-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1[nH]c(CNCC(C)(F)F)[nH+]c1C ZINC000581835485 367840926 /nfs/dbraw/zinc/84/09/26/367840926.db2.gz BMJJGQOPKNZZID-UHFFFAOYSA-N 1 2 203.236 1.771 20 0 BDADLO CC[C@H](C[NH2+][C@@H](C(=O)OC)C(C)C)OC ZINC000386099807 367912622 /nfs/dbraw/zinc/91/26/22/367912622.db2.gz JNWNWEUHZAEAHE-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)O)ccn12 ZINC000581893561 367884261 /nfs/dbraw/zinc/88/42/61/367884261.db2.gz VKKISZULHPSKDF-SNVBAGLBSA-N 1 2 247.298 1.143 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000015416431 367940682 /nfs/dbraw/zinc/94/06/82/367940682.db2.gz XTQHWONCOBGCSQ-LBPRGKRZSA-N 1 2 249.358 1.637 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000015416431 367940687 /nfs/dbraw/zinc/94/06/87/367940687.db2.gz XTQHWONCOBGCSQ-LBPRGKRZSA-N 1 2 249.358 1.637 20 0 BDADLO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000566304623 326031813 /nfs/dbraw/zinc/03/18/13/326031813.db2.gz PTNRKYJXQATBAI-GXSJLCMTSA-N 1 2 211.309 1.296 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)on1 ZINC000581951799 368018099 /nfs/dbraw/zinc/01/80/99/368018099.db2.gz NNHWSTXVHMORSR-SFYZADRCSA-N 1 2 208.261 1.717 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)on1 ZINC000581951799 368018105 /nfs/dbraw/zinc/01/81/05/368018105.db2.gz NNHWSTXVHMORSR-SFYZADRCSA-N 1 2 208.261 1.717 20 0 BDADLO CC(=O)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615518029 368087118 /nfs/dbraw/zinc/08/71/18/368087118.db2.gz SYQUQHBUDMUUPD-GFCCVEGCSA-N 1 2 249.314 1.312 20 0 BDADLO CC(=O)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615518029 368087124 /nfs/dbraw/zinc/08/71/24/368087124.db2.gz SYQUQHBUDMUUPD-GFCCVEGCSA-N 1 2 249.314 1.312 20 0 BDADLO CN(C[C@H]1CCOC1)c1cc(CO)cc[nH+]1 ZINC000399303129 368157262 /nfs/dbraw/zinc/15/72/62/368157262.db2.gz AXYDPPGINDLYLE-LLVKDONJSA-N 1 2 222.288 1.047 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000029174687 368242736 /nfs/dbraw/zinc/24/27/36/368242736.db2.gz QPXOBFTZOTXTFS-SNVBAGLBSA-N 1 2 234.299 1.006 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000029174687 368242740 /nfs/dbraw/zinc/24/27/40/368242740.db2.gz QPXOBFTZOTXTFS-SNVBAGLBSA-N 1 2 234.299 1.006 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000043637363 368405144 /nfs/dbraw/zinc/40/51/44/368405144.db2.gz WMEIUPISDXSGJK-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000043637363 368405151 /nfs/dbraw/zinc/40/51/51/368405151.db2.gz WMEIUPISDXSGJK-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)CCO1 ZINC000045752516 368430665 /nfs/dbraw/zinc/43/06/65/368430665.db2.gz KBBXFJYDOWPSMW-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)CCO1 ZINC000045752516 368430672 /nfs/dbraw/zinc/43/06/72/368430672.db2.gz KBBXFJYDOWPSMW-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CCC(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000058297863 368509420 /nfs/dbraw/zinc/50/94/20/368509420.db2.gz SCMWHPMTJWVARM-JTQLQIEISA-N 1 2 223.320 1.824 20 0 BDADLO CCCN(CCC)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000058474723 368511761 /nfs/dbraw/zinc/51/17/61/368511761.db2.gz SYRHZSDPOWRBRQ-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCN(CCC)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000058474723 368511772 /nfs/dbraw/zinc/51/17/72/368511772.db2.gz SYRHZSDPOWRBRQ-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CSCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000061512929 368564492 /nfs/dbraw/zinc/56/44/92/368564492.db2.gz ZQXWDVCYVMJFLY-UHFFFAOYSA-N 1 2 227.333 1.132 20 0 BDADLO CCOc1nnc(C[NH+]2CCCCC2)s1 ZINC000060569288 368546895 /nfs/dbraw/zinc/54/68/95/368546895.db2.gz OWCJQAXCZYAGHB-UHFFFAOYSA-N 1 2 227.333 1.923 20 0 BDADLO CCCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000063601966 368589586 /nfs/dbraw/zinc/58/95/86/368589586.db2.gz ZSVBUYBPOVFKTM-UHFFFAOYSA-N 1 2 231.299 1.745 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccsc1 ZINC000063706522 368592472 /nfs/dbraw/zinc/59/24/72/368592472.db2.gz JEGFSPYVDFBFOD-UHFFFAOYSA-N 1 2 247.323 1.985 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC=CCC1 ZINC000063707370 368593820 /nfs/dbraw/zinc/59/38/20/368593820.db2.gz GRYSVAZYSGCWRS-GFCCVEGCSA-N 1 2 245.326 1.966 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC000064432001 368605822 /nfs/dbraw/zinc/60/58/22/368605822.db2.gz SQLFFVLNEAALKM-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc2c1OCCO2 ZINC000064432001 368605825 /nfs/dbraw/zinc/60/58/25/368605825.db2.gz SQLFFVLNEAALKM-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO CC[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000066646266 368657792 /nfs/dbraw/zinc/65/77/92/368657792.db2.gz IBRCSQZREMSSHC-SNVBAGLBSA-N 1 2 209.293 1.530 20 0 BDADLO CCC(C)(C)OCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000457348737 203041448 /nfs/dbraw/zinc/04/14/48/203041448.db2.gz WQEMUDMMBVNNIN-UHFFFAOYSA-N 1 2 239.319 1.653 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCC1 ZINC000069066785 368744390 /nfs/dbraw/zinc/74/43/90/368744390.db2.gz JPGZKJBWYQRCFX-JTQLQIEISA-N 1 2 222.288 1.505 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCC1 ZINC000069066785 368744395 /nfs/dbraw/zinc/74/43/95/368744395.db2.gz JPGZKJBWYQRCFX-JTQLQIEISA-N 1 2 222.288 1.505 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000072621206 368775395 /nfs/dbraw/zinc/77/53/95/368775395.db2.gz WVXJVXMHPJLIOV-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCc1ccon1 ZINC000074015560 368824764 /nfs/dbraw/zinc/82/47/64/368824764.db2.gz DESPOONEOTVURV-UHFFFAOYSA-N 1 2 247.283 1.644 20 0 BDADLO CC(C)(C)c1noc(C[NH+]2CCCC2)n1 ZINC000074011705 368824948 /nfs/dbraw/zinc/82/49/48/368824948.db2.gz KFVCCNGJCMZPHK-UHFFFAOYSA-N 1 2 209.293 1.963 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000074219326 368833762 /nfs/dbraw/zinc/83/37/62/368833762.db2.gz IJQWXAIVJHWJNC-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO C[N@H+](CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000072938080 368787078 /nfs/dbraw/zinc/78/70/78/368787078.db2.gz MQHMILLCAPFOMT-SSDOTTSWSA-N 1 2 245.266 1.058 20 0 BDADLO C[N@@H+](CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000072938080 368787084 /nfs/dbraw/zinc/78/70/84/368787084.db2.gz MQHMILLCAPFOMT-SSDOTTSWSA-N 1 2 245.266 1.058 20 0 BDADLO C[C@H]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073074221 368792174 /nfs/dbraw/zinc/79/21/74/368792174.db2.gz OBZNJWQZPAZKMD-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073056990 368792417 /nfs/dbraw/zinc/79/24/17/368792417.db2.gz DJEGFIXLOQLFIY-UWVGGRQHSA-N 1 2 209.293 1.434 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000073073058 368792802 /nfs/dbraw/zinc/79/28/02/368792802.db2.gz JBDDOYLCIZWPDF-CHWSQXEVSA-N 1 2 241.294 1.555 20 0 BDADLO CC(C)[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000457421129 203059256 /nfs/dbraw/zinc/05/92/56/203059256.db2.gz KMHQGUFFJYYJII-JTQLQIEISA-N 1 2 238.335 1.306 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)sn1 ZINC000616009996 368874788 /nfs/dbraw/zinc/87/47/88/368874788.db2.gz JGAMMYWCHLBFHS-PSLIRLAXSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)sn1 ZINC000616009996 368874791 /nfs/dbraw/zinc/87/47/91/368874791.db2.gz JGAMMYWCHLBFHS-PSLIRLAXSA-N 1 2 246.401 1.650 20 0 BDADLO CCOC(=O)CC[N@H+](Cc1cocn1)C1CC1 ZINC000617836447 368881401 /nfs/dbraw/zinc/88/14/01/368881401.db2.gz QCHWCEAVEYUUJD-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO CCOC(=O)CC[N@@H+](Cc1cocn1)C1CC1 ZINC000617836447 368881402 /nfs/dbraw/zinc/88/14/02/368881402.db2.gz QCHWCEAVEYUUJD-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO Cn1c(C[NH2+]Cc2cc[nH]n2)nc2ccccc21 ZINC000111234066 368853347 /nfs/dbraw/zinc/85/33/47/368853347.db2.gz KSJKUGVHOBPOCS-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO C[C@H](CC(=O)NCC1CSC1)n1cc[nH+]c1 ZINC000616071017 368936253 /nfs/dbraw/zinc/93/62/53/368936253.db2.gz SUUPAMPGTMKCGU-SECBINFHSA-N 1 2 239.344 1.313 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)CSC2CC2)C1 ZINC000457718221 203093503 /nfs/dbraw/zinc/09/35/03/203093503.db2.gz CKQNQJHEEPHTSY-UHFFFAOYSA-N 1 2 228.361 1.091 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457846936 203112510 /nfs/dbraw/zinc/11/25/10/203112510.db2.gz CKZZDZIUVHPODV-GXTWGEPZSA-N 1 2 249.358 1.761 20 0 BDADLO C[C@H](CC(=O)NCCc1ccoc1)n1cc[nH+]c1 ZINC000618469639 369149892 /nfs/dbraw/zinc/14/98/92/369149892.db2.gz KBXIJLMZKYQXPG-LLVKDONJSA-N 1 2 247.298 1.786 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457860610 203114249 /nfs/dbraw/zinc/11/42/49/203114249.db2.gz OTOKHSZEDOJKDR-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@H](C)CCC(=O)NCCc1cn(C)c[nH+]1 ZINC000457877649 203116370 /nfs/dbraw/zinc/11/63/70/203116370.db2.gz VTKQLVYGDRAFOG-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CC1(F)F ZINC000618596155 369180307 /nfs/dbraw/zinc/18/03/07/369180307.db2.gz DRZWGCIFXQOMPW-VIFPVBQESA-N 1 2 229.230 1.045 20 0 BDADLO C[C@]1(CNC(=O)CCn2cc[nH+]c2)CC1(F)F ZINC000618606999 369182984 /nfs/dbraw/zinc/18/29/84/369182984.db2.gz UTIGDJXEZWOKBC-SNVBAGLBSA-N 1 2 243.257 1.435 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000458109574 203133933 /nfs/dbraw/zinc/13/39/33/203133933.db2.gz FOFPDNPUSSXRHX-KGYLQXTDSA-N 1 2 247.342 1.606 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000458116959 203135241 /nfs/dbraw/zinc/13/52/41/203135241.db2.gz RMHANUAJDKVBDY-VHSXEESVSA-N 1 2 221.304 1.503 20 0 BDADLO CC[C@]1(C(C)C)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000567564057 326218130 /nfs/dbraw/zinc/21/81/30/326218130.db2.gz FDGYHKCYCKFYHB-WCQYABFASA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@H](C)N(C)C(=O)NCc1[nH+]ccn1CC ZINC000459008592 203223079 /nfs/dbraw/zinc/22/30/79/203223079.db2.gz LIKREAOBVLEKFC-JTQLQIEISA-N 1 2 238.335 1.843 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccoc1C ZINC000459305956 203252000 /nfs/dbraw/zinc/25/20/00/203252000.db2.gz POEGDAJBHJAPMV-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccoc1C ZINC000459305956 203252003 /nfs/dbraw/zinc/25/20/03/203252003.db2.gz POEGDAJBHJAPMV-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CC[C@H]1C[N@H+](CCn2cc(Cl)cn2)CCO1 ZINC000459310018 203252889 /nfs/dbraw/zinc/25/28/89/203252889.db2.gz LWWCKCRPCWIPDC-NSHDSACASA-N 1 2 243.738 1.647 20 0 BDADLO CC[C@H]1C[N@@H+](CCn2cc(Cl)cn2)CCO1 ZINC000459310018 203252893 /nfs/dbraw/zinc/25/28/93/203252893.db2.gz LWWCKCRPCWIPDC-NSHDSACASA-N 1 2 243.738 1.647 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000619133459 369293183 /nfs/dbraw/zinc/29/31/83/369293183.db2.gz MFROAHOAKRVVNX-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1cccn1C ZINC000459355307 203268562 /nfs/dbraw/zinc/26/85/62/203268562.db2.gz BHVITNMNSFXPOD-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1cccn1C ZINC000459355307 203268565 /nfs/dbraw/zinc/26/85/65/203268565.db2.gz BHVITNMNSFXPOD-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CS[C@H]1CC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000567722362 326247618 /nfs/dbraw/zinc/24/76/18/326247618.db2.gz BGKGPERKYPZRIO-IUCAKERBSA-N 1 2 239.344 1.931 20 0 BDADLO COCc1cc(C[N@@H+]2CC[C@@H]2C2CC2)no1 ZINC000459583642 203306785 /nfs/dbraw/zinc/30/67/85/203306785.db2.gz SSVQURIROVMQRE-GFCCVEGCSA-N 1 2 222.288 1.805 20 0 BDADLO COCc1cc(C[N@H+]2CC[C@@H]2C2CC2)no1 ZINC000459583642 203306787 /nfs/dbraw/zinc/30/67/87/203306787.db2.gz SSVQURIROVMQRE-GFCCVEGCSA-N 1 2 222.288 1.805 20 0 BDADLO Cc1c[nH+]c(CN2CC(OCC(F)F)C2)n1C ZINC000459585881 203307580 /nfs/dbraw/zinc/30/75/80/203307580.db2.gz CQQIZYACBLQSLI-UHFFFAOYSA-N 1 2 245.273 1.194 20 0 BDADLO Cc1[nH]nc2ncc(C[NH2+]CC(F)F)cc12 ZINC000459548796 203299124 /nfs/dbraw/zinc/29/91/24/203299124.db2.gz QXFLATDSQDAAPP-UHFFFAOYSA-N 1 2 226.230 1.621 20 0 BDADLO CCC(F)(F)C[NH2+][C@H]1CCN(CCOC)C1 ZINC000623679217 369378580 /nfs/dbraw/zinc/37/85/80/369378580.db2.gz MQEHFLLTFHKLSQ-JTQLQIEISA-N 1 2 236.306 1.342 20 0 BDADLO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000459611533 203317336 /nfs/dbraw/zinc/31/73/36/203317336.db2.gz LMVZDGOSHIPTHU-GZMMTYOYSA-N 1 2 224.308 1.569 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000459621501 203318862 /nfs/dbraw/zinc/31/88/62/203318862.db2.gz NKCBWZPOMNFSII-UHFFFAOYSA-N 1 2 248.326 1.396 20 0 BDADLO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000459628623 203323161 /nfs/dbraw/zinc/32/31/61/203323161.db2.gz FUKVYKPRXRJWKC-PHIMTYICSA-N 1 2 209.293 1.455 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCc3c[nH]nc3C2)CC1 ZINC000619649311 369507157 /nfs/dbraw/zinc/50/71/57/369507157.db2.gz XWSASGUDTQYGHR-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCc3c[nH]nc3C2)CC1 ZINC000619649311 369507161 /nfs/dbraw/zinc/50/71/61/369507161.db2.gz XWSASGUDTQYGHR-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCc3cn[nH]c3C2)CC1 ZINC000619649311 369507168 /nfs/dbraw/zinc/50/71/68/369507168.db2.gz XWSASGUDTQYGHR-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCc3cn[nH]c3C2)CC1 ZINC000619649311 369507174 /nfs/dbraw/zinc/50/71/74/369507174.db2.gz XWSASGUDTQYGHR-UHFFFAOYSA-N 1 2 249.314 1.111 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)CCO1 ZINC000069862401 370991207 /nfs/dbraw/zinc/99/12/07/370991207.db2.gz YRSCCEHSRDOGSZ-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC1(C)C ZINC000620086424 369727067 /nfs/dbraw/zinc/72/70/67/369727067.db2.gz ARNUPYHDOXCUAP-RNCFNFMXSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC1(C)C ZINC000620086424 369727068 /nfs/dbraw/zinc/72/70/68/369727068.db2.gz ARNUPYHDOXCUAP-RNCFNFMXSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1CC1 ZINC000620413377 369867404 /nfs/dbraw/zinc/86/74/04/369867404.db2.gz NULWRKJQRGBMND-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO C[C@H](NC(=O)[C@@H](C)C1CC1)c1[nH+]ccn1C ZINC000620603163 369950175 /nfs/dbraw/zinc/95/01/75/369950175.db2.gz ICXCVOSFLOZWPD-IUCAKERBSA-N 1 2 221.304 1.643 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC12CCC2)c1[nH+]ccn1C ZINC000620602990 369950761 /nfs/dbraw/zinc/95/07/61/369950761.db2.gz GKGHNGBWHRAASK-NXEZZACHSA-N 1 2 233.315 1.788 20 0 BDADLO CO[C@@H](C)CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604445 369953489 /nfs/dbraw/zinc/95/34/89/369953489.db2.gz RCQXYSTYKPHHFK-UWVGGRQHSA-N 1 2 239.319 1.412 20 0 BDADLO Cc1nccnc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620607020 369955364 /nfs/dbraw/zinc/95/53/64/369955364.db2.gz DJOQUBXHBIJDMW-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@H](NC(=O)c1cc(F)c[nH]1)c1[nH+]ccn1C ZINC000620608481 369956932 /nfs/dbraw/zinc/95/69/32/369956932.db2.gz OOMWWIALMDQLJV-ZETCQYMHSA-N 1 2 236.250 1.378 20 0 BDADLO COc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)o1 ZINC000620612489 369958293 /nfs/dbraw/zinc/95/82/93/369958293.db2.gz WSYQITWVIDVPQZ-QMMMGPOBSA-N 1 2 249.270 1.513 20 0 BDADLO CC(C)(C)C(F)(F)CNC(=O)Cn1cc[nH+]c1 ZINC000620613797 369959360 /nfs/dbraw/zinc/95/93/60/369959360.db2.gz TWIAEOWFJGUDRG-UHFFFAOYSA-N 1 2 245.273 1.681 20 0 BDADLO CC(=O)CCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620647447 369972519 /nfs/dbraw/zinc/97/25/19/369972519.db2.gz DDVZSCOLFSHXBX-UHFFFAOYSA-N 1 2 245.282 1.950 20 0 BDADLO C[C@@H](NC(=O)Cc1ccsc1)c1[nH+]ccn1C ZINC000620592234 369945309 /nfs/dbraw/zinc/94/53/09/369945309.db2.gz NREQVUMLXLEXMX-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO C[C@H](NC(=O)c1ccc[nH]c1=O)c1[nH+]ccn1C ZINC000620595343 369947339 /nfs/dbraw/zinc/94/73/39/369947339.db2.gz HCGNVGJSTZVHHX-QMMMGPOBSA-N 1 2 246.270 1.012 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCOC1)c1[nH+]ccn1C ZINC000620594826 369947535 /nfs/dbraw/zinc/94/75/35/369947535.db2.gz GYHBLUHPMFCZTF-NXEZZACHSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H](NC(=O)c1ccc[nH]c1=O)c1[nH+]ccn1C ZINC000620595342 369948043 /nfs/dbraw/zinc/94/80/43/369948043.db2.gz HCGNVGJSTZVHHX-MRVPVSSYSA-N 1 2 246.270 1.012 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000620736434 369984104 /nfs/dbraw/zinc/98/41/04/369984104.db2.gz ZQVPKBKFPBXCRZ-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO CC(=O)c1cc(CN2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000568169837 326319163 /nfs/dbraw/zinc/31/91/63/326319163.db2.gz VKIPVKABCZRZKA-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO CC(=O)c1cc(CN2CC[N@H+](C)C[C@@H]2C)on1 ZINC000568169837 326319165 /nfs/dbraw/zinc/31/91/65/326319165.db2.gz VKIPVKABCZRZKA-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO Clc1cncc(C[N@@H+]2CCCOCC2)c1 ZINC000621253129 370186163 /nfs/dbraw/zinc/18/61/63/370186163.db2.gz RDRGCMRMJJBKRV-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1cncc(C[N@H+]2CCCOCC2)c1 ZINC000621253129 370186168 /nfs/dbraw/zinc/18/61/68/370186168.db2.gz RDRGCMRMJJBKRV-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2CCO[C@@H]2C)[nH+]1 ZINC000631005905 370144060 /nfs/dbraw/zinc/14/40/60/370144060.db2.gz OQCBQKKGNHLROW-RKDXNWHRSA-N 1 2 239.344 1.715 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000621214720 370159480 /nfs/dbraw/zinc/15/94/80/370159480.db2.gz GRRUYYOTJXSHAA-IQLKVPPVSA-N 1 2 245.326 1.456 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)ccn1 ZINC000621297401 370224918 /nfs/dbraw/zinc/22/49/18/370224918.db2.gz MRANKGCLCRSBJA-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)ccn1 ZINC000621297401 370224921 /nfs/dbraw/zinc/22/49/21/370224921.db2.gz MRANKGCLCRSBJA-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621299467 370228065 /nfs/dbraw/zinc/22/80/65/370228065.db2.gz DTHHIYGXGHAPCC-SNVBAGLBSA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cncc(Cl)c1 ZINC000621299467 370228069 /nfs/dbraw/zinc/22/80/69/370228069.db2.gz DTHHIYGXGHAPCC-SNVBAGLBSA-N 1 2 239.706 1.185 20 0 BDADLO CCc1noc(C[NH+]2CCC(COC)CC2)n1 ZINC000112355804 370287956 /nfs/dbraw/zinc/28/79/56/370287956.db2.gz NLSYFHDTXOHELQ-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)[nH]1 ZINC000621556102 370387847 /nfs/dbraw/zinc/38/78/47/370387847.db2.gz BRMPIKZIPNPWTM-MRVPVSSYSA-N 1 2 247.302 1.042 20 0 BDADLO CCc1cc(N[C@H](CC)CCO)nc[nH+]1 ZINC000077232333 370402311 /nfs/dbraw/zinc/40/23/11/370402311.db2.gz MLPDRWFYDFDRCF-SECBINFHSA-N 1 2 209.293 1.612 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000621711897 370457035 /nfs/dbraw/zinc/45/70/35/370457035.db2.gz LLIJIMBFHDEOMD-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000621711897 370457038 /nfs/dbraw/zinc/45/70/38/370457038.db2.gz LLIJIMBFHDEOMD-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOCC12CCC2 ZINC000621716987 370465589 /nfs/dbraw/zinc/46/55/89/370465589.db2.gz SYQMBSYAQKYWRW-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOCC12CCC2 ZINC000621716987 370465594 /nfs/dbraw/zinc/46/55/94/370465594.db2.gz SYQMBSYAQKYWRW-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)no1 ZINC000621722245 370474160 /nfs/dbraw/zinc/47/41/60/370474160.db2.gz POBHKUGKQYYGGK-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO CCc1cc(N[C@H]2CCSC2)nc[nH+]1 ZINC000078501751 370570538 /nfs/dbraw/zinc/57/05/38/370570538.db2.gz ZWTUMMIQZWJWNY-VIFPVBQESA-N 1 2 209.318 1.956 20 0 BDADLO CN(Cc1ccon1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621879015 370577400 /nfs/dbraw/zinc/57/74/00/370577400.db2.gz IMRZIXQPOIGOTJ-UHFFFAOYSA-N 1 2 248.286 1.334 20 0 BDADLO CCc1cc(NC[C@@](C)(O)CC)nc[nH+]1 ZINC000078598062 370580329 /nfs/dbraw/zinc/58/03/29/370580329.db2.gz ZXAQXJVHJUZBLL-NSHDSACASA-N 1 2 209.293 1.612 20 0 BDADLO CO[C@@H](C)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000622683348 371060981 /nfs/dbraw/zinc/06/09/81/371060981.db2.gz PINYDVKRVLRVOK-ZETCQYMHSA-N 1 2 243.332 1.178 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)ccn1 ZINC000622685802 371062210 /nfs/dbraw/zinc/06/22/10/371062210.db2.gz LEGWETKCRFXDOO-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CCCCc1cc(NCc2cc[nH]n2)nc[nH+]1 ZINC000631057502 371185207 /nfs/dbraw/zinc/18/52/07/371185207.db2.gz CDQXIAPNCLQFGG-UHFFFAOYSA-N 1 2 231.303 1.576 20 0 BDADLO CCC(C)(C)NC(=O)CCCn1cc[nH+]c1 ZINC000125309476 371318274 /nfs/dbraw/zinc/31/82/74/371318274.db2.gz YBIJUVSYPBGVEA-UHFFFAOYSA-N 1 2 223.320 1.968 20 0 BDADLO FCCn1cc(N[C@@H]2CCCn3cc[nH+]c32)cn1 ZINC000624127492 371328049 /nfs/dbraw/zinc/32/80/49/371328049.db2.gz JBKCPTIESIIFHC-LLVKDONJSA-N 1 2 249.293 1.996 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](O)CC(F)(F)C1 ZINC000624150710 371347187 /nfs/dbraw/zinc/34/71/87/371347187.db2.gz UOALORRYRSBDTL-QMMMGPOBSA-N 1 2 244.241 1.297 20 0 BDADLO Nc1ccc(CNc2ncc(Cl)cn2)c[nH+]1 ZINC000302832870 181707400 /nfs/dbraw/zinc/70/74/00/181707400.db2.gz RTRBCPGBJMRVGB-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO C1=CCC(CNc2[nH+]cnc3c2OCCN3)C1 ZINC000624491129 371521109 /nfs/dbraw/zinc/52/11/09/371521109.db2.gz SBIVNKAQUHTZJE-UHFFFAOYSA-N 1 2 232.287 1.081 20 0 BDADLO C1=CCC(CNc2nc[nH+]c3c2OCCN3)C1 ZINC000624491129 371521117 /nfs/dbraw/zinc/52/11/17/371521117.db2.gz SBIVNKAQUHTZJE-UHFFFAOYSA-N 1 2 232.287 1.081 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)[C@H]1CCCO1 ZINC000624515067 371525121 /nfs/dbraw/zinc/52/51/21/371525121.db2.gz BTJIRHFFWLHMKC-NXEZZACHSA-N 1 2 238.287 1.042 20 0 BDADLO O=C(c1ccsn1)N1CCc2[nH]c[nH+]c2C1 ZINC000627373727 371591033 /nfs/dbraw/zinc/59/10/33/371591033.db2.gz ZQAWWZHPCNZGKL-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO O=C(c1ccsn1)N1CCc2[nH+]c[nH]c2C1 ZINC000627373727 371591037 /nfs/dbraw/zinc/59/10/37/371591037.db2.gz ZQAWWZHPCNZGKL-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1CCc2[nH]c[nH+]c2C1 ZINC000627373087 371592125 /nfs/dbraw/zinc/59/21/25/371592125.db2.gz GWVIHSCPCVIXEU-VWYCJHECSA-N 1 2 245.326 1.731 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1CCc2[nH+]c[nH]c2C1 ZINC000627373087 371592133 /nfs/dbraw/zinc/59/21/33/371592133.db2.gz GWVIHSCPCVIXEU-VWYCJHECSA-N 1 2 245.326 1.731 20 0 BDADLO CCO[C@H](CC)C(=O)NCCCn1cc[nH+]c1 ZINC000057182977 371753843 /nfs/dbraw/zinc/75/38/43/371753843.db2.gz ZDIPVWCZBNZCKE-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC=CCC1 ZINC000277297464 181835839 /nfs/dbraw/zinc/83/58/39/181835839.db2.gz ASTYAFLBVDZTII-VQCYPWCPSA-N 1 2 217.272 1.648 20 0 BDADLO CCC[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631161906 372211920 /nfs/dbraw/zinc/21/19/20/372211920.db2.gz QIWMQFXQLJKPEZ-SNVBAGLBSA-N 1 2 235.335 1.609 20 0 BDADLO CCC[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631161906 372211924 /nfs/dbraw/zinc/21/19/24/372211924.db2.gz QIWMQFXQLJKPEZ-SNVBAGLBSA-N 1 2 235.335 1.609 20 0 BDADLO CCC[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631161904 372212063 /nfs/dbraw/zinc/21/20/63/372212063.db2.gz QIWMQFXQLJKPEZ-JTQLQIEISA-N 1 2 235.335 1.609 20 0 BDADLO CCC[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631161904 372212070 /nfs/dbraw/zinc/21/20/70/372212070.db2.gz QIWMQFXQLJKPEZ-JTQLQIEISA-N 1 2 235.335 1.609 20 0 BDADLO Cc1nc(NCC23CCC(CC2)C3)nc(N)[nH+]1 ZINC000631182891 372221584 /nfs/dbraw/zinc/22/15/84/372221584.db2.gz FMYUZFCRMMHPTM-UHFFFAOYSA-N 1 2 233.319 1.007 20 0 BDADLO Cc1nc(N)nc(NCC23CCC(CC2)C3)[nH+]1 ZINC000631182891 372221586 /nfs/dbraw/zinc/22/15/86/372221586.db2.gz FMYUZFCRMMHPTM-UHFFFAOYSA-N 1 2 233.319 1.007 20 0 BDADLO CC[C@@H](Nc1nc(C)[nH+]c(N)n1)[C@@H]1CC1(C)C ZINC000631315975 372292148 /nfs/dbraw/zinc/29/21/48/372292148.db2.gz ZMMSPFIJKXELNI-DTWKUNHWSA-N 1 2 235.335 1.829 20 0 BDADLO CC[C@@H](Nc1nc(N)nc(C)[nH+]1)[C@@H]1CC1(C)C ZINC000631315975 372292156 /nfs/dbraw/zinc/29/21/56/372292156.db2.gz ZMMSPFIJKXELNI-DTWKUNHWSA-N 1 2 235.335 1.829 20 0 BDADLO COCC1CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000631333732 372300247 /nfs/dbraw/zinc/30/02/47/372300247.db2.gz OEZZQZJINJEICV-UHFFFAOYSA-N 1 2 232.287 1.349 20 0 BDADLO CCCCc1cc(NC[C@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000631239782 372255633 /nfs/dbraw/zinc/25/56/33/372255633.db2.gz BTBRVRNYCDUXJL-AAEUAGOBSA-N 1 2 249.358 1.814 20 0 BDADLO Cc1ccc(C[NH2+]Cc2[nH]ncc2C)o1 ZINC000631242685 372257410 /nfs/dbraw/zinc/25/74/10/372257410.db2.gz LNXFVUGOLWIPHP-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1ccc(C[NH2+]Cc2n[nH]cc2C)o1 ZINC000631242685 372257412 /nfs/dbraw/zinc/25/74/12/372257412.db2.gz LNXFVUGOLWIPHP-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)cc[nH+]1 ZINC000631253781 372262438 /nfs/dbraw/zinc/26/24/38/372262438.db2.gz KEYYWFONZZOXBG-CKYFFXLPSA-N 1 2 234.299 1.564 20 0 BDADLO Cc1cc(N2CC[C@H]2C(F)(F)F)nc[nH+]1 ZINC000631343318 372303605 /nfs/dbraw/zinc/30/36/05/372303605.db2.gz KEVXYWRUYLLKLI-ZETCQYMHSA-N 1 2 217.194 1.926 20 0 BDADLO OC[C@H]1CN(c2cc3ccccc3c[nH+]2)C[C@H]1O ZINC000631308262 372288835 /nfs/dbraw/zinc/28/88/35/372288835.db2.gz PKSQFXZUSOVHDM-CHWSQXEVSA-N 1 2 244.294 1.024 20 0 BDADLO Cc1nc(N2CCCC3(CC3)CC2)nc(N)[nH+]1 ZINC000631394766 372334322 /nfs/dbraw/zinc/33/43/22/372334322.db2.gz SEPOOXAPHMCDSN-UHFFFAOYSA-N 1 2 233.319 1.363 20 0 BDADLO Cc1nc(N)nc(N2CCCC3(CC3)CC2)[nH+]1 ZINC000631394766 372334326 /nfs/dbraw/zinc/33/43/26/372334326.db2.gz SEPOOXAPHMCDSN-UHFFFAOYSA-N 1 2 233.319 1.363 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000631464996 372378519 /nfs/dbraw/zinc/37/85/19/372378519.db2.gz PHWPMEIHGNLLRZ-FKTZTGRPSA-N 1 2 237.303 1.771 20 0 BDADLO COCC1(C2CC2)CN(c2cc(C)[nH+]cn2)C1 ZINC000631471786 372382652 /nfs/dbraw/zinc/38/26/52/372382652.db2.gz IHDGQYLMQBWCEA-UHFFFAOYSA-N 1 2 233.315 1.648 20 0 BDADLO OCC(F)(F)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631617743 372463523 /nfs/dbraw/zinc/46/35/23/372463523.db2.gz IOVOKJJCLLPQQV-LLVKDONJSA-N 1 2 242.269 1.676 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC(F)(F)F ZINC000339226832 181942506 /nfs/dbraw/zinc/94/25/06/181942506.db2.gz HVCBVKVXPVTZGL-UHFFFAOYSA-N 1 2 235.209 1.411 20 0 BDADLO O=C(CSC1CC1)NCCCn1cc[nH+]c1 ZINC000294157715 182008078 /nfs/dbraw/zinc/00/80/78/182008078.db2.gz AVHZYFKWCAEZFD-UHFFFAOYSA-N 1 2 239.344 1.285 20 0 BDADLO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(F)F)CC2 ZINC000172588680 373019595 /nfs/dbraw/zinc/01/95/95/373019595.db2.gz CMYFPHJLOKRSED-VHSXEESVSA-N 1 2 249.301 1.503 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2ccc(F)cc21 ZINC000336397402 182070623 /nfs/dbraw/zinc/07/06/23/182070623.db2.gz LCLQVUNLYPPDFE-UHFFFAOYSA-N 1 2 245.257 1.612 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc(F)ccc1F ZINC000029594145 182070785 /nfs/dbraw/zinc/07/07/85/182070785.db2.gz JQOVCEFBPRZMLC-UHFFFAOYSA-N 1 2 237.209 1.800 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000076830278 182071124 /nfs/dbraw/zinc/07/11/24/182071124.db2.gz YKPAPOCOGHGSMU-RYUDHWBXSA-N 1 2 249.314 1.053 20 0 BDADLO CCN(CC)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632728978 373118767 /nfs/dbraw/zinc/11/87/67/373118767.db2.gz FURGLWMMVZDUDX-UHFFFAOYSA-N 1 2 238.335 1.670 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC1(C)C ZINC000632888288 373210939 /nfs/dbraw/zinc/21/09/39/373210939.db2.gz LHJZHMAYUQODQF-MRVPVSSYSA-N 1 2 222.292 1.350 20 0 BDADLO CC(C)C[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633133679 373300524 /nfs/dbraw/zinc/30/05/24/373300524.db2.gz DBDQBRVWFHPUTE-JTQLQIEISA-N 1 2 238.335 1.986 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C)c1[nH]cc[nH+]1 ZINC000633169887 373319219 /nfs/dbraw/zinc/31/92/19/373319219.db2.gz GAKFQAKJJFGJRE-DOLQZWNJSA-N 1 2 237.303 1.400 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCC(C)(C)F)c1 ZINC000633297493 373458877 /nfs/dbraw/zinc/45/88/77/373458877.db2.gz HEVQQBVNHDXYBE-UHFFFAOYSA-N 1 2 242.298 1.010 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119047364 182154636 /nfs/dbraw/zinc/15/46/36/182154636.db2.gz BGWCLXPJJYOZBS-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC000360818825 182162727 /nfs/dbraw/zinc/16/27/27/182162727.db2.gz OTBKESQRRNCYAA-SNVBAGLBSA-N 1 2 239.294 1.311 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000115161634 182168643 /nfs/dbraw/zinc/16/86/43/182168643.db2.gz YSPNEDOABFUXCV-LLVKDONJSA-N 1 2 249.314 1.179 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@H]1C(F)F ZINC000338102275 182178982 /nfs/dbraw/zinc/17/89/82/182178982.db2.gz XBRMFMIMWZZSRG-BDAKNGLRSA-N 1 2 243.257 1.291 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1(CCF)CC1 ZINC000289401452 182176847 /nfs/dbraw/zinc/17/68/47/182176847.db2.gz SPMUAXPQYUEYHD-UHFFFAOYSA-N 1 2 239.294 1.529 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CCCOC1 ZINC000263920035 182188762 /nfs/dbraw/zinc/18/87/62/182188762.db2.gz FKCRMOBQQGZQHY-NSHDSACASA-N 1 2 249.314 1.036 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC(CCF)CC1 ZINC000633958938 373856222 /nfs/dbraw/zinc/85/62/22/373856222.db2.gz CWYGCKMUUJVUTG-UHFFFAOYSA-N 1 2 239.294 1.481 20 0 BDADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)CCCCC2)C1 ZINC000174208345 374147303 /nfs/dbraw/zinc/14/73/03/374147303.db2.gz OLQWKMQNLOYEFB-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO C[N@H+]1CCO[C@H](C(=O)NC2(C)CCCCC2)C1 ZINC000174208345 374147308 /nfs/dbraw/zinc/14/73/08/374147308.db2.gz OLQWKMQNLOYEFB-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO O=C(NC[C@H]1CCOC1)c1ccc2[nH+]ccn2c1 ZINC000263915858 182243823 /nfs/dbraw/zinc/24/38/23/182243823.db2.gz MKGBANPUKXBSBV-SNVBAGLBSA-N 1 2 245.282 1.101 20 0 BDADLO Cc1ccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)o1 ZINC000634312671 374162574 /nfs/dbraw/zinc/16/25/74/374162574.db2.gz YAJADSOVTPPTCW-UHFFFAOYSA-N 1 2 247.298 1.905 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1c(O)cccc1F ZINC000228995538 182248314 /nfs/dbraw/zinc/24/83/14/182248314.db2.gz JFLPQYVNZIOQFZ-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1c(O)cccc1F ZINC000228995538 182248316 /nfs/dbraw/zinc/24/83/16/182248316.db2.gz JFLPQYVNZIOQFZ-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000178375004 182264802 /nfs/dbraw/zinc/26/48/02/182264802.db2.gz AULUMIBXJKWBDV-NSHDSACASA-N 1 2 245.282 1.130 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)[C@H]2C)n1C ZINC000246496470 374267537 /nfs/dbraw/zinc/26/75/37/374267537.db2.gz ZYNFRFUPUXGWTG-RKDXNWHRSA-N 1 2 240.376 1.449 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2C)n1C ZINC000246496470 374267544 /nfs/dbraw/zinc/26/75/44/374267544.db2.gz ZYNFRFUPUXGWTG-RKDXNWHRSA-N 1 2 240.376 1.449 20 0 BDADLO O=C(NCc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000032777596 182260414 /nfs/dbraw/zinc/26/04/14/182260414.db2.gz SOHQFUBGWLLOOO-UHFFFAOYSA-N 1 2 242.282 1.294 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1sccc1F ZINC000335570769 182273474 /nfs/dbraw/zinc/27/34/74/182273474.db2.gz GHKAUTJJNLPWBL-UHFFFAOYSA-N 1 2 225.248 1.540 20 0 BDADLO O=C(NN1CCCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000367387469 182276500 /nfs/dbraw/zinc/27/65/00/182276500.db2.gz FKLCNLWFZSJOQX-JTQLQIEISA-N 1 2 248.330 1.347 20 0 BDADLO O=C(NN1CCCCC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000367387469 182276502 /nfs/dbraw/zinc/27/65/02/182276502.db2.gz FKLCNLWFZSJOQX-JTQLQIEISA-N 1 2 248.330 1.347 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377152591 182267457 /nfs/dbraw/zinc/26/74/57/182267457.db2.gz QCRXDMCKKDFWRB-LLVKDONJSA-N 1 2 245.282 1.355 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000028697311 182268926 /nfs/dbraw/zinc/26/89/26/182268926.db2.gz HOIPETUYVIDURZ-NSHDSACASA-N 1 2 245.282 1.130 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCCC[C@@H]2OC)no1 ZINC000429537752 206060635 /nfs/dbraw/zinc/06/06/35/206060635.db2.gz NIZKWWASDUXJAS-UWVGGRQHSA-N 1 2 239.319 1.679 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000445666720 206086190 /nfs/dbraw/zinc/08/61/90/206086190.db2.gz OZHWHHZORASMHW-GUBZILKMSA-N 1 2 221.304 1.787 20 0 BDADLO C=Cn1cc(CNc2c[nH+]ccc2OC)cn1 ZINC000194390182 206089120 /nfs/dbraw/zinc/08/91/20/206089120.db2.gz XKQNIMTWKXCWHJ-UHFFFAOYSA-N 1 2 230.271 1.999 20 0 BDADLO CNc1nnc(SCc2[nH+]ccn2C)s1 ZINC000194346110 206089177 /nfs/dbraw/zinc/08/91/77/206089177.db2.gz PIZDJYQTSXHDRD-UHFFFAOYSA-N 1 2 241.345 1.606 20 0 BDADLO O=C1N=NC(SCCC[NH+]2CCCC2)N1 ZINC000194632056 206101693 /nfs/dbraw/zinc/10/16/93/206101693.db2.gz PWZDGNCWDAPZLO-UHFFFAOYSA-N 1 2 228.321 1.088 20 0 BDADLO O=c1[nH]nc(SCCC[NH+]2CCCC2)[nH]1 ZINC000194632056 206101697 /nfs/dbraw/zinc/10/16/97/206101697.db2.gz PWZDGNCWDAPZLO-UHFFFAOYSA-N 1 2 228.321 1.088 20 0 BDADLO O=C(N[C@H]1CCCOC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366567755 182330929 /nfs/dbraw/zinc/33/09/29/182330929.db2.gz MZKRKHPMOSFPSJ-UWVGGRQHSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(N[C@H]1CCCOC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366567755 182330932 /nfs/dbraw/zinc/33/09/32/182330932.db2.gz MZKRKHPMOSFPSJ-UWVGGRQHSA-N 1 2 249.314 1.125 20 0 BDADLO C=Cn1cc(C[N@H+]2CCN(C)C[C@H]2C(C)C)cn1 ZINC000194601206 206095366 /nfs/dbraw/zinc/09/53/66/206095366.db2.gz GPOSBGOZIVIVFR-AWEZNQCLSA-N 1 2 248.374 1.756 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCN(C)C[C@H]2C(C)C)cn1 ZINC000194601206 206095372 /nfs/dbraw/zinc/09/53/72/206095372.db2.gz GPOSBGOZIVIVFR-AWEZNQCLSA-N 1 2 248.374 1.756 20 0 BDADLO C=Cn1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cn1 ZINC000194761340 206109849 /nfs/dbraw/zinc/10/98/49/206109849.db2.gz XNDOHGVOHZYMAA-PWSUYJOCSA-N 1 2 248.330 1.069 20 0 BDADLO C=Cn1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cn1 ZINC000194761340 206109855 /nfs/dbraw/zinc/10/98/55/206109855.db2.gz XNDOHGVOHZYMAA-PWSUYJOCSA-N 1 2 248.330 1.069 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000363038353 182343305 /nfs/dbraw/zinc/34/33/05/182343305.db2.gz ZAGUENYSHDACFX-VIFPVBQESA-N 1 2 219.288 1.183 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000363038353 182343308 /nfs/dbraw/zinc/34/33/08/182343308.db2.gz ZAGUENYSHDACFX-VIFPVBQESA-N 1 2 219.288 1.183 20 0 BDADLO O=C(Nc1ccc(Cl)nc1)[C@H]1CSC[NH2+]1 ZINC000122109214 182354192 /nfs/dbraw/zinc/35/41/92/182354192.db2.gz WXIHGCGFTRPXHA-SSDOTTSWSA-N 1 2 243.719 1.336 20 0 BDADLO COC[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C(=O)OC ZINC000459498157 206131562 /nfs/dbraw/zinc/13/15/62/206131562.db2.gz VFJWSOQTQRBEBA-VQXHTEKXSA-N 1 2 243.347 1.589 20 0 BDADLO COC1C[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000459580959 206134725 /nfs/dbraw/zinc/13/47/25/206134725.db2.gz LRMGKFHNLPVCBC-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO COC1(C)C[NH+](C/C=C\c2ccncc2)C1 ZINC000459580050 206134887 /nfs/dbraw/zinc/13/48/87/206134887.db2.gz JQDPDAFXMWYPTO-ARJAWSKDSA-N 1 2 218.300 1.816 20 0 BDADLO COC1C[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000459579346 206136159 /nfs/dbraw/zinc/13/61/59/206136159.db2.gz JLINDQSQAVUWDK-UHFFFAOYSA-N 1 2 234.299 1.476 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCCO1 ZINC000266156363 182375066 /nfs/dbraw/zinc/37/50/66/182375066.db2.gz MXSHWSXWKGMARN-VIFPVBQESA-N 1 2 231.255 1.452 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCOC1 ZINC000280866281 182385095 /nfs/dbraw/zinc/38/50/95/182385095.db2.gz XXEAEWHTCCQFSR-JTQLQIEISA-N 1 2 245.282 1.699 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOC1CCC1 ZINC000309663177 170187347 /nfs/dbraw/zinc/18/73/47/170187347.db2.gz SCRBJQKKKYVWBO-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000336893613 170268307 /nfs/dbraw/zinc/26/83/07/170268307.db2.gz KUSUXDRSNADZSN-IUCAKERBSA-N 1 2 215.293 1.095 20 0 BDADLO CCCCOCC[NH2+][C@H](C)c1nc(C)no1 ZINC000336671843 168903123 /nfs/dbraw/zinc/90/31/23/168903123.db2.gz ASGMXFRFCRMZGR-SECBINFHSA-N 1 2 227.308 1.845 20 0 BDADLO CCOCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000087977631 170389413 /nfs/dbraw/zinc/38/94/13/170389413.db2.gz BJDRVNKOVSOXHS-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CCOCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000087977631 170389415 /nfs/dbraw/zinc/38/94/15/170389415.db2.gz BJDRVNKOVSOXHS-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO OC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000304014632 183031142 /nfs/dbraw/zinc/03/11/42/183031142.db2.gz VZEXZBIMEICIDT-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OC1(CNc2cc(NCC3CC3)[nH+]cn2)CCC1 ZINC000301822539 183021754 /nfs/dbraw/zinc/02/17/54/183021754.db2.gz KQYFGHPFWNTOQM-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO OC1(CNc2cc(NCC3CC3)nc[nH+]2)CCC1 ZINC000301822539 183021757 /nfs/dbraw/zinc/02/17/57/183021757.db2.gz KQYFGHPFWNTOQM-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO OC1(c2ccccc2)C[NH+](CCCF)C1 ZINC000375836977 183022654 /nfs/dbraw/zinc/02/26/54/183022654.db2.gz FPSWETUNQXELSN-UHFFFAOYSA-N 1 2 209.264 1.549 20 0 BDADLO OC1(c2ccccc2)CN(c2cccc[nH+]2)C1 ZINC000376234407 183023686 /nfs/dbraw/zinc/02/36/86/183023686.db2.gz DSYIKEPTIONRAD-UHFFFAOYSA-N 1 2 226.279 1.789 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000355471976 183065031 /nfs/dbraw/zinc/06/50/31/183065031.db2.gz MGGOZJKIVKCPCK-QMMMGPOBSA-N 1 2 225.304 1.299 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000355471976 183065034 /nfs/dbraw/zinc/06/50/34/183065034.db2.gz MGGOZJKIVKCPCK-QMMMGPOBSA-N 1 2 225.304 1.299 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157542908 183073651 /nfs/dbraw/zinc/07/36/51/183073651.db2.gz BEZVPTDAKZRORW-SECBINFHSA-N 1 2 213.302 1.114 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157542908 183073653 /nfs/dbraw/zinc/07/36/53/183073653.db2.gz BEZVPTDAKZRORW-SECBINFHSA-N 1 2 213.302 1.114 20 0 BDADLO OCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000336354604 183077690 /nfs/dbraw/zinc/07/76/90/183077690.db2.gz GIPBUDLIWGUKBD-UHFFFAOYSA-N 1 2 216.284 1.449 20 0 BDADLO OCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000336354604 183077693 /nfs/dbraw/zinc/07/76/93/183077693.db2.gz GIPBUDLIWGUKBD-UHFFFAOYSA-N 1 2 216.284 1.449 20 0 BDADLO OCC[C@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000361869738 183096077 /nfs/dbraw/zinc/09/60/77/183096077.db2.gz WPUCZIGKEFQZBP-ZDUSSCGKSA-N 1 2 243.310 1.690 20 0 BDADLO OCCO[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000125513161 183086380 /nfs/dbraw/zinc/08/63/80/183086380.db2.gz ASBNFLXBMLFUJR-SNVBAGLBSA-N 1 2 242.344 1.116 20 0 BDADLO OCCO[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000125513161 183086381 /nfs/dbraw/zinc/08/63/81/183086381.db2.gz ASBNFLXBMLFUJR-SNVBAGLBSA-N 1 2 242.344 1.116 20 0 BDADLO OC[C@@H]1CCCN1c1cc(NC2CCC2)[nH+]cn1 ZINC000259278847 183119825 /nfs/dbraw/zinc/11/98/25/183119825.db2.gz UXJLCQGWPRKWLU-NSHDSACASA-N 1 2 248.330 1.402 20 0 BDADLO OC[C@@H]1CCCN1c1cc(NC2CCC2)nc[nH+]1 ZINC000259278847 183119828 /nfs/dbraw/zinc/11/98/28/183119828.db2.gz UXJLCQGWPRKWLU-NSHDSACASA-N 1 2 248.330 1.402 20 0 BDADLO OCC[C@H]1CSCC[N@@H+]1Cc1cscn1 ZINC000355086849 183098372 /nfs/dbraw/zinc/09/83/72/183098372.db2.gz LHBHYNDSVNMTPS-JTQLQIEISA-N 1 2 244.385 1.443 20 0 BDADLO OCC[C@H]1CSCC[N@H+]1Cc1cscn1 ZINC000355086849 183098374 /nfs/dbraw/zinc/09/83/74/183098374.db2.gz LHBHYNDSVNMTPS-JTQLQIEISA-N 1 2 244.385 1.443 20 0 BDADLO OC[C@@]1(F)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000338423462 183133804 /nfs/dbraw/zinc/13/38/04/183133804.db2.gz OFAIDQOFASJAAU-CYBMUJFWSA-N 1 2 247.273 1.541 20 0 BDADLO OC[C@@]1([NH2+]Cc2ccon2)CCc2ccccc21 ZINC000305728290 183134962 /nfs/dbraw/zinc/13/49/62/183134962.db2.gz MNDAAMNUZRPJNL-AWEZNQCLSA-N 1 2 244.294 1.598 20 0 BDADLO OC[C@H](CC(F)(F)F)Nc1cccc[nH+]1 ZINC000336663270 183135647 /nfs/dbraw/zinc/13/56/47/183135647.db2.gz CNOXXCWCXIQZJJ-ZETCQYMHSA-N 1 2 220.194 1.807 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000051887962 169031048 /nfs/dbraw/zinc/03/10/48/169031048.db2.gz SIEUCGRQDIBNAF-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCCCc1noc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000051887962 169031050 /nfs/dbraw/zinc/03/10/50/169031050.db2.gz SIEUCGRQDIBNAF-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000086831612 183127678 /nfs/dbraw/zinc/12/76/78/183127678.db2.gz VQTUPEYVQLFSAR-NSHDSACASA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000086831612 183127679 /nfs/dbraw/zinc/12/76/79/183127679.db2.gz VQTUPEYVQLFSAR-NSHDSACASA-N 1 2 225.263 1.019 20 0 BDADLO CCCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000366648773 169044877 /nfs/dbraw/zinc/04/48/77/169044877.db2.gz AZGIZAPSVSLEBS-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000086776573 183151313 /nfs/dbraw/zinc/15/13/13/183151313.db2.gz VMZNAJDWNWIWST-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC000086776573 183151315 /nfs/dbraw/zinc/15/13/15/183151315.db2.gz VMZNAJDWNWIWST-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@H]1C[N@H+](CCc2ccccc2F)CCO1 ZINC000137600297 183155371 /nfs/dbraw/zinc/15/53/71/183155371.db2.gz XYLMSLVELGITBT-GFCCVEGCSA-N 1 2 239.290 1.061 20 0 BDADLO OC[C@H]1C[N@@H+](CCc2ccccc2F)CCO1 ZINC000137600297 183155372 /nfs/dbraw/zinc/15/53/72/183155372.db2.gz XYLMSLVELGITBT-GFCCVEGCSA-N 1 2 239.290 1.061 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccncc2Cl)C1 ZINC000336493770 183159354 /nfs/dbraw/zinc/15/93/54/183159354.db2.gz YRLCXZFXNBLTKP-NSHDSACASA-N 1 2 244.697 1.641 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000336493770 183159356 /nfs/dbraw/zinc/15/93/56/183159356.db2.gz YRLCXZFXNBLTKP-NSHDSACASA-N 1 2 244.697 1.641 20 0 BDADLO O[C@@H](C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000019784995 183177508 /nfs/dbraw/zinc/17/75/08/183177508.db2.gz LFFMHEMSYIAREM-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO O[C@@H](CCNc1cccc[nH+]1)C(F)(F)F ZINC000308920839 183173655 /nfs/dbraw/zinc/17/36/55/183173655.db2.gz ITYIHCVMWYKHJA-ZETCQYMHSA-N 1 2 220.194 1.807 20 0 BDADLO O[C@@H](CC[N@@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000367839436 183174243 /nfs/dbraw/zinc/17/42/43/183174243.db2.gz ZYGUYUZGUOEUBK-MELADBBJSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@@H](CC[N@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000367839436 183174244 /nfs/dbraw/zinc/17/42/44/183174244.db2.gz ZYGUYUZGUOEUBK-MELADBBJSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@@H](CN1CCC[C@@H]1c1[nH]cc[nH+]1)C(F)(F)F ZINC000332409523 183175384 /nfs/dbraw/zinc/17/53/84/183175384.db2.gz NCQAMWNUOAPSTN-SFYZADRCSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409523 183175387 /nfs/dbraw/zinc/17/53/87/183175387.db2.gz NCQAMWNUOAPSTN-SFYZADRCSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409523 183175390 /nfs/dbraw/zinc/17/53/90/183175390.db2.gz NCQAMWNUOAPSTN-SFYZADRCSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000126336626 183197984 /nfs/dbraw/zinc/19/79/84/183197984.db2.gz SNWWKIMGUZLWIK-MRVPVSSYSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000126336626 183197988 /nfs/dbraw/zinc/19/79/88/183197988.db2.gz SNWWKIMGUZLWIK-MRVPVSSYSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000267187063 183200599 /nfs/dbraw/zinc/20/05/99/183200599.db2.gz GPWGCZICPVJJAH-SECBINFHSA-N 1 2 215.256 1.201 20 0 BDADLO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000082990934 183188368 /nfs/dbraw/zinc/18/83/68/183188368.db2.gz GPHFGVZYQXJWRZ-MWLCHTKSSA-N 1 2 209.293 1.050 20 0 BDADLO O[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000086001389 183191685 /nfs/dbraw/zinc/19/16/85/183191685.db2.gz TVPGYMRWIZHETK-RBMBQVQZSA-N 1 2 210.104 1.762 20 0 BDADLO O[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000086001389 183191687 /nfs/dbraw/zinc/19/16/87/183191687.db2.gz TVPGYMRWIZHETK-RBMBQVQZSA-N 1 2 210.104 1.762 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1c[nH]nc1C ZINC000178872469 169100382 /nfs/dbraw/zinc/10/03/82/169100382.db2.gz JOUATLYOZXXZPQ-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1c[nH]nc1C ZINC000178872469 169100383 /nfs/dbraw/zinc/10/03/83/169100383.db2.gz JOUATLYOZXXZPQ-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000305739529 183239250 /nfs/dbraw/zinc/23/92/50/183239250.db2.gz XOQGLQAAFQZVDA-QMMMGPOBSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000305739529 183239254 /nfs/dbraw/zinc/23/92/54/183239254.db2.gz XOQGLQAAFQZVDA-QMMMGPOBSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000295310012 183247846 /nfs/dbraw/zinc/24/78/46/183247846.db2.gz KTJDGNXKJHDGKW-AOOOYVTPSA-N 1 2 234.303 1.234 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000295310012 183247848 /nfs/dbraw/zinc/24/78/48/183247848.db2.gz KTJDGNXKJHDGKW-AOOOYVTPSA-N 1 2 234.303 1.234 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000295452667 183248500 /nfs/dbraw/zinc/24/85/00/183248500.db2.gz WNPFMVGXEGRGAX-DTORHVGOSA-N 1 2 215.256 1.565 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@H+](C/C=C/Cl)C1 ZINC000175787549 183250872 /nfs/dbraw/zinc/25/08/72/183250872.db2.gz XQIFZIIRSIDRFR-RCYFRSRISA-N 1 2 229.629 1.738 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@@H+](C/C=C/Cl)C1 ZINC000175787549 183250874 /nfs/dbraw/zinc/25/08/74/183250874.db2.gz XQIFZIIRSIDRFR-RCYFRSRISA-N 1 2 229.629 1.738 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077763 183235496 /nfs/dbraw/zinc/23/54/96/183235496.db2.gz YOEKQMWZPUFOND-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095077763 183235498 /nfs/dbraw/zinc/23/54/98/183235498.db2.gz YOEKQMWZPUFOND-VIFPVBQESA-N 1 2 227.695 1.087 20 0 BDADLO CCCN(CCC)C(=O)Cc1[nH]c[nH+]c1C ZINC000278687819 169141889 /nfs/dbraw/zinc/14/18/89/169141889.db2.gz QTQVIFLYOCWNGG-UHFFFAOYSA-N 1 2 223.320 1.909 20 0 BDADLO Oc1cc(F)cc(C[N@H+](C2CC2)C2COC2)c1 ZINC000296007956 183258260 /nfs/dbraw/zinc/25/82/60/183258260.db2.gz LJXRYQIXJQOKOK-UHFFFAOYSA-N 1 2 237.274 1.895 20 0 BDADLO Oc1cc(F)cc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000296007956 183258262 /nfs/dbraw/zinc/25/82/62/183258262.db2.gz LJXRYQIXJQOKOK-UHFFFAOYSA-N 1 2 237.274 1.895 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3CCC3)C2)[nH]1 ZINC000329655595 183306269 /nfs/dbraw/zinc/30/62/69/183306269.db2.gz MGYZIYFTFXZEGC-JTQLQIEISA-N 1 2 236.319 1.490 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CCC3)C2)[nH]1 ZINC000329655595 183306273 /nfs/dbraw/zinc/30/62/73/183306273.db2.gz MGYZIYFTFXZEGC-JTQLQIEISA-N 1 2 236.319 1.490 20 0 BDADLO CCCN(CCO)C(=O)Nc1cc[nH+]c(C)c1 ZINC000271079601 169162166 /nfs/dbraw/zinc/16/21/66/169162166.db2.gz QKCBPRMCFQHDBG-UHFFFAOYSA-N 1 2 237.303 1.626 20 0 BDADLO CCCN(CCO)C(=O)Nc1cc[nH+]cc1C ZINC000271108236 169162623 /nfs/dbraw/zinc/16/26/23/169162623.db2.gz FOSCGDDRCBNSCE-UHFFFAOYSA-N 1 2 237.303 1.626 20 0 BDADLO c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000336495842 183326638 /nfs/dbraw/zinc/32/66/38/183326638.db2.gz NXTMTGNPGYLGME-QWHCGFSZSA-N 1 2 248.374 1.589 20 0 BDADLO CCCN1CCCN(c2cc(C)[nH+]cn2)CC1=O ZINC000302755663 169193815 /nfs/dbraw/zinc/19/38/15/169193815.db2.gz INAFRBCIKSDLRL-UHFFFAOYSA-N 1 2 248.330 1.234 20 0 BDADLO c1cc(-c2ccc(C[NH+]3CCOCC3)o2)n[nH]1 ZINC000336508616 183329556 /nfs/dbraw/zinc/32/95/56/183329556.db2.gz BBKYTJQJTSTIQR-UHFFFAOYSA-N 1 2 233.271 1.502 20 0 BDADLO c1cc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)co1 ZINC000274088250 183330268 /nfs/dbraw/zinc/33/02/68/183330268.db2.gz RXRFJMYEZCJPHI-JTQLQIEISA-N 1 2 246.270 1.002 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286063990 169221493 /nfs/dbraw/zinc/22/14/93/169221493.db2.gz JGQGNFIPOJROSJ-LLVKDONJSA-N 1 2 236.319 1.073 20 0 BDADLO CCCNC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286063990 169221495 /nfs/dbraw/zinc/22/14/95/169221495.db2.gz JGQGNFIPOJROSJ-LLVKDONJSA-N 1 2 236.319 1.073 20 0 BDADLO c1cc2c(cc1CC[NH+]1CCOCC1)OCCO2 ZINC000033339933 183367080 /nfs/dbraw/zinc/36/70/80/183367080.db2.gz PEHTXJTWOUDUNB-UHFFFAOYSA-N 1 2 249.310 1.333 20 0 BDADLO c1cc2[nH+]ccc(N3C[C@@H]4COC[C@@H]4C3)c2cn1 ZINC000367943241 183377602 /nfs/dbraw/zinc/37/76/02/183377602.db2.gz NVLKWWKNUHIFPA-PHIMTYICSA-N 1 2 241.294 1.712 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000355434463 169241337 /nfs/dbraw/zinc/24/13/37/169241337.db2.gz JCGUOZUIKRLHJW-MRVPVSSYSA-N 1 2 240.269 1.785 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000355434463 169241338 /nfs/dbraw/zinc/24/13/38/169241338.db2.gz JCGUOZUIKRLHJW-MRVPVSSYSA-N 1 2 240.269 1.785 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000336777805 169242124 /nfs/dbraw/zinc/24/21/24/169242124.db2.gz JPCALNACAHYMSX-DTWKUNHWSA-N 1 2 225.292 1.240 20 0 BDADLO CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339227439 169243987 /nfs/dbraw/zinc/24/39/87/169243987.db2.gz AXCIRFIRZGNGBJ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339227439 169243988 /nfs/dbraw/zinc/24/39/88/169243988.db2.gz AXCIRFIRZGNGBJ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369787468 169298880 /nfs/dbraw/zinc/29/88/80/169298880.db2.gz OPCRVUKQJYFETD-IJLUTSLNSA-N 1 2 241.331 1.581 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369787468 169298881 /nfs/dbraw/zinc/29/88/81/169298881.db2.gz OPCRVUKQJYFETD-IJLUTSLNSA-N 1 2 241.331 1.581 20 0 BDADLO c1c(CN(C2CC2)C2COC2)[nH+]c2ccccn12 ZINC000296213415 183463679 /nfs/dbraw/zinc/46/36/79/183463679.db2.gz ZVXNPLGTSSYBFI-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO CCC[C@@H](C)[N@H+](C)Cc1noc(COC)n1 ZINC000356250235 169365643 /nfs/dbraw/zinc/36/56/43/169365643.db2.gz DTQIIMVGXIKNOS-SECBINFHSA-N 1 2 227.308 1.836 20 0 BDADLO CCC[C@@H](C)[N@@H+](C)Cc1noc(COC)n1 ZINC000356250235 169365644 /nfs/dbraw/zinc/36/56/44/169365644.db2.gz DTQIIMVGXIKNOS-SECBINFHSA-N 1 2 227.308 1.836 20 0 BDADLO CCC[C@@H](C)C[NH2+][C@H](COC)C(=O)OC ZINC000336773403 169361016 /nfs/dbraw/zinc/36/10/16/169361016.db2.gz YQPJZIYHHBKNOH-NXEZZACHSA-N 1 2 217.309 1.200 20 0 BDADLO CCC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000036804865 169372722 /nfs/dbraw/zinc/37/27/22/169372722.db2.gz YSFNQFHXHOZIGT-MRVPVSSYSA-N 1 2 219.292 1.964 20 0 BDADLO CCC[C@@H](CC)S(=O)(=O)Cc1c[nH+]cn1C ZINC000279980086 169381517 /nfs/dbraw/zinc/38/15/17/169381517.db2.gz KPILJJFSQZCACD-LLVKDONJSA-N 1 2 244.360 1.914 20 0 BDADLO CCC[C@@H](CNc1[nH+]cnc2c1cnn2C)OC ZINC000293673296 169385404 /nfs/dbraw/zinc/38/54/04/169385404.db2.gz MPWWPFQZWANBGU-VIFPVBQESA-N 1 2 249.318 1.590 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000356337504 169385442 /nfs/dbraw/zinc/38/54/42/169385442.db2.gz PVGPHWKJYJGVAB-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO CCCC[N@H+](C)Cc1noc(COC)n1 ZINC000182373664 134344418 /nfs/dbraw/zinc/34/44/18/134344418.db2.gz RQLGREFBUOPOMX-UHFFFAOYSA-N 1 2 213.281 1.448 20 0 BDADLO CCCC[N@@H+](C)Cc1noc(COC)n1 ZINC000182373664 134344419 /nfs/dbraw/zinc/34/44/19/134344419.db2.gz RQLGREFBUOPOMX-UHFFFAOYSA-N 1 2 213.281 1.448 20 0 BDADLO CCC[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279123369 169484609 /nfs/dbraw/zinc/48/46/09/169484609.db2.gz DCBWXEMCSSULGB-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO COCc1nc(C[N@@H+](C)C2CCCC2)no1 ZINC000182385789 134345057 /nfs/dbraw/zinc/34/50/57/134345057.db2.gz NHHCTHZYGPOYPN-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000182896444 134349593 /nfs/dbraw/zinc/34/95/93/134349593.db2.gz IDKFTWLYWLGUGZ-NWDGAFQWSA-N 1 2 242.363 1.117 20 0 BDADLO CCc1nnc(C[N@H+](C)CC[C@H](C)O)s1 ZINC000680053859 487528321 /nfs/dbraw/zinc/52/83/21/487528321.db2.gz AALPMHLHJAECQO-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC[C@H](C)O)s1 ZINC000680053859 487528323 /nfs/dbraw/zinc/52/83/23/487528323.db2.gz AALPMHLHJAECQO-QMMMGPOBSA-N 1 2 229.349 1.303 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCC12CCC2 ZINC000518423462 383847177 /nfs/dbraw/zinc/84/71/77/383847177.db2.gz MKZNGXYOAOAVBQ-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152544063 383881425 /nfs/dbraw/zinc/88/14/25/383881425.db2.gz VEPSZFLLVUQURU-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@@H]1CCCOC1 ZINC000119800692 383866109 /nfs/dbraw/zinc/86/61/09/383866109.db2.gz AYJJDVZYNYCMDY-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@@H]1CCCOC1 ZINC000119800692 383866114 /nfs/dbraw/zinc/86/61/14/383866114.db2.gz AYJJDVZYNYCMDY-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2CCO)no1 ZINC000050104819 383913634 /nfs/dbraw/zinc/91/36/34/383913634.db2.gz NLTUPSUINWSFIC-JTQLQIEISA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2CCO)no1 ZINC000050104819 383913640 /nfs/dbraw/zinc/91/36/40/383913640.db2.gz NLTUPSUINWSFIC-JTQLQIEISA-N 1 2 225.292 1.115 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cn[nH]c1 ZINC000492891418 533018664 /nfs/dbraw/zinc/01/86/64/533018664.db2.gz CWVLORHAZNRVPJ-UFUPEUMYSA-N 1 2 231.259 1.023 20 0 BDADLO C[C@H]([NH2+]Cc1ccccn1)c1nncn1C ZINC000037016988 383931956 /nfs/dbraw/zinc/93/19/56/383931956.db2.gz YCLKYWUPWKJQFW-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO CC(C)c1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088357898 383896586 /nfs/dbraw/zinc/89/65/86/383896586.db2.gz PGCKNCZFAPLJLU-CYBMUJFWSA-N 1 2 248.326 1.737 20 0 BDADLO Cc1ccc(F)cc1NC(=O)[C@H]1COCC[NH2+]1 ZINC000088357758 383896986 /nfs/dbraw/zinc/89/69/86/383896986.db2.gz WLVSNPKZGSHUBC-LLVKDONJSA-N 1 2 238.262 1.061 20 0 BDADLO CC1(C)CN(c2cc(NC3CC3)[nH+]cn2)CCO1 ZINC000518488720 383948901 /nfs/dbraw/zinc/94/89/01/383948901.db2.gz ZLSJYSBBCSVKEV-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO CC1(C)CN(c2cc(NC3CC3)nc[nH+]2)CCO1 ZINC000518488720 383948910 /nfs/dbraw/zinc/94/89/10/383948910.db2.gz ZLSJYSBBCSVKEV-UHFFFAOYSA-N 1 2 248.330 1.666 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc[nH]1 ZINC000070650812 383951506 /nfs/dbraw/zinc/95/15/06/383951506.db2.gz ZEFVAGLXOROKFY-UHFFFAOYSA-N 1 2 204.233 1.010 20 0 BDADLO Cc1ccc(NC(=O)N2CCOC[C@@H]2C)c(C)[nH+]1 ZINC000268000229 383952469 /nfs/dbraw/zinc/95/24/69/383952469.db2.gz BVJSSRXHBQOICQ-JTQLQIEISA-N 1 2 249.314 1.951 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000569428255 384021557 /nfs/dbraw/zinc/02/15/57/384021557.db2.gz WARSIOFSHYMKRO-JHJVBQTASA-N 1 2 247.342 1.968 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@@H]1C1CC1 ZINC000090008094 384022443 /nfs/dbraw/zinc/02/24/43/384022443.db2.gz ZRCJKWLVJZFDLV-LLVKDONJSA-N 1 2 221.304 1.031 20 0 BDADLO Cc1csc(CNCc2[nH]cc[nH+]2)n1 ZINC000049715627 384024543 /nfs/dbraw/zinc/02/45/43/384024543.db2.gz KSWDIKNDQFFPMR-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO C[C@H]([NH2+]Cc1nncn1C)c1ccccc1F ZINC000038007518 384052638 /nfs/dbraw/zinc/05/26/38/384052638.db2.gz UREQSHUDRMHLJJ-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO COC(=O)[C@@H](CC(C)C)NCc1c[nH+]cn1C ZINC000090165610 384031705 /nfs/dbraw/zinc/03/17/05/384031705.db2.gz MZQVRVGFOVUFOA-LLVKDONJSA-N 1 2 239.319 1.097 20 0 BDADLO CCOC[C@@H](O)Cn1c(CC)[nH+]c2ccccc21 ZINC000069277868 384040075 /nfs/dbraw/zinc/04/00/75/384040075.db2.gz WAOQXRZQGABUSY-NSHDSACASA-N 1 2 248.326 1.996 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090969607 384086442 /nfs/dbraw/zinc/08/64/42/384086442.db2.gz DKIHIORCXKGZLQ-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO CC(=O)NCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090802933 384075785 /nfs/dbraw/zinc/07/57/85/384075785.db2.gz NZBPSMQPBOEXDT-UHFFFAOYSA-N 1 2 247.220 1.648 20 0 BDADLO c1csc([C@@H]([NH2+]CC2CC2)c2nnc[nH]2)c1 ZINC000293934612 384097134 /nfs/dbraw/zinc/09/71/34/384097134.db2.gz YEWRGWQWPOMIRC-SNVBAGLBSA-N 1 2 234.328 1.955 20 0 BDADLO FC(F)CN1CCC[N@H+](Cc2ccon2)CC1 ZINC000091083713 384099205 /nfs/dbraw/zinc/09/92/05/384099205.db2.gz LLENYMUTJWWJFM-UHFFFAOYSA-N 1 2 245.273 1.447 20 0 BDADLO FC(F)CN1CCC[N@@H+](Cc2ccon2)CC1 ZINC000091083713 384099207 /nfs/dbraw/zinc/09/92/07/384099207.db2.gz LLENYMUTJWWJFM-UHFFFAOYSA-N 1 2 245.273 1.447 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC000560469926 384155041 /nfs/dbraw/zinc/15/50/41/384155041.db2.gz SLMHLDQWYSIMCD-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CC1CCCCC1)C2 ZINC000336562479 384143598 /nfs/dbraw/zinc/14/35/98/384143598.db2.gz QRCBJQBRDKOAPH-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CC1CCCCC1)C2 ZINC000336562479 384143604 /nfs/dbraw/zinc/14/36/04/384143604.db2.gz QRCBJQBRDKOAPH-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=C1N=NC2C[N@H+](CC3CCCCC3)CCN12 ZINC000336562479 384143612 /nfs/dbraw/zinc/14/36/12/384143612.db2.gz QRCBJQBRDKOAPH-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=C1N=NC2C[N@@H+](CC3CCCCC3)CCN12 ZINC000336562479 384143622 /nfs/dbraw/zinc/14/36/22/384143622.db2.gz QRCBJQBRDKOAPH-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO CC(C)C(=O)NCC[N@H+](C)Cc1cncs1 ZINC000092103772 384162330 /nfs/dbraw/zinc/16/23/30/384162330.db2.gz ATAMZBWUOCPKKD-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cncs1 ZINC000092103772 384162338 /nfs/dbraw/zinc/16/23/38/384162338.db2.gz ATAMZBWUOCPKKD-UHFFFAOYSA-N 1 2 241.360 1.347 20 0 BDADLO CC(C)(C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000124474006 384187273 /nfs/dbraw/zinc/18/72/73/384187273.db2.gz ZSQKLLBDVOJGSI-UHFFFAOYSA-N 1 2 238.335 1.761 20 0 BDADLO COC(=O)C[N@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000118006459 384187348 /nfs/dbraw/zinc/18/73/48/384187348.db2.gz SDJQEFHNGYZMLX-ZDUSSCGKSA-N 1 2 249.310 1.357 20 0 BDADLO COC(=O)C[N@@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000118006459 384187355 /nfs/dbraw/zinc/18/73/55/384187355.db2.gz SDJQEFHNGYZMLX-ZDUSSCGKSA-N 1 2 249.310 1.357 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000642698811 384191895 /nfs/dbraw/zinc/19/18/95/384191895.db2.gz SUTGDBCCAJCZKW-GFCCVEGCSA-N 1 2 237.347 1.829 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+]1CCc2cn[nH]c2C1 ZINC000642698811 384191897 /nfs/dbraw/zinc/19/18/97/384191897.db2.gz SUTGDBCCAJCZKW-GFCCVEGCSA-N 1 2 237.347 1.829 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CO)c2ccccc2)nc1 ZINC000359526130 384231261 /nfs/dbraw/zinc/23/12/61/384231261.db2.gz BDBPXSDDEAPJEZ-ZDUSSCGKSA-N 1 2 243.310 1.608 20 0 BDADLO COC[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000173445254 384220950 /nfs/dbraw/zinc/22/09/50/384220950.db2.gz OXUWDRSUYHQDJH-SECBINFHSA-N 1 2 240.269 1.201 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000173499809 384227960 /nfs/dbraw/zinc/22/79/60/384227960.db2.gz RYJWZDSWXLTHHO-SECBINFHSA-N 1 2 208.261 1.247 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000173499809 384227964 /nfs/dbraw/zinc/22/79/64/384227964.db2.gz RYJWZDSWXLTHHO-SECBINFHSA-N 1 2 208.261 1.247 20 0 BDADLO COC[C@@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000042525635 384228028 /nfs/dbraw/zinc/22/80/28/384228028.db2.gz DQIDJNPQFKCUQV-VIFPVBQESA-N 1 2 235.287 1.006 20 0 BDADLO C[C@@H](O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000278947862 384244783 /nfs/dbraw/zinc/24/47/83/384244783.db2.gz WWHMZHCYOVFKFJ-SECBINFHSA-N 1 2 221.304 1.927 20 0 BDADLO CC[C@@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000304401508 384277045 /nfs/dbraw/zinc/27/70/45/384277045.db2.gz AWWZDJPJTXWIOT-SECBINFHSA-N 1 2 221.308 1.389 20 0 BDADLO CC[C@@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000304401508 384277049 /nfs/dbraw/zinc/27/70/49/384277049.db2.gz AWWZDJPJTXWIOT-SECBINFHSA-N 1 2 221.308 1.389 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(CF)CCC1 ZINC000564895402 384246018 /nfs/dbraw/zinc/24/60/18/384246018.db2.gz AANRPMWAKWPOGI-UHFFFAOYSA-N 1 2 240.282 1.112 20 0 BDADLO CSC1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000558713618 384256617 /nfs/dbraw/zinc/25/66/17/384256617.db2.gz IHYGPRQEJNGZQT-UHFFFAOYSA-N 1 2 236.340 1.954 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C(C1CC1)C1CC1 ZINC000119322792 384258099 /nfs/dbraw/zinc/25/80/99/384258099.db2.gz TZCKWLPZUCPAGJ-UHFFFAOYSA-N 1 2 247.342 1.815 20 0 BDADLO CCc1nnc(C[NH+]2CCC([C@@H](C)O)CC2)o1 ZINC000225775525 384310083 /nfs/dbraw/zinc/31/00/83/384310083.db2.gz FKMKVFMQUYBQLT-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)c1nnc2n1CCN(Cc1c[nH+]c[nH]1)C2 ZINC000378350231 384310352 /nfs/dbraw/zinc/31/03/52/384310352.db2.gz NBFDOIMACRBJOD-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1csnn1 ZINC000401939979 384314648 /nfs/dbraw/zinc/31/46/48/384314648.db2.gz FMSQTZJWTOQURI-BWZBUEFSSA-N 1 2 213.306 1.366 20 0 BDADLO C[N@H+](Cc1cscn1)CC(C)(C)CO ZINC000051294066 384319926 /nfs/dbraw/zinc/31/99/26/384319926.db2.gz KJFLQAUZVKTZBH-UHFFFAOYSA-N 1 2 214.334 1.593 20 0 BDADLO C[N@@H+](Cc1cscn1)CC(C)(C)CO ZINC000051294066 384319931 /nfs/dbraw/zinc/31/99/31/384319931.db2.gz KJFLQAUZVKTZBH-UHFFFAOYSA-N 1 2 214.334 1.593 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569579393 384283247 /nfs/dbraw/zinc/28/32/47/384283247.db2.gz KCVNQNKHHPMSKB-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nccn1C(F)F ZINC000385671845 384287617 /nfs/dbraw/zinc/28/76/17/384287617.db2.gz NCJQEOMCCMARKY-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nccn1C(F)F ZINC000385671845 384287625 /nfs/dbraw/zinc/28/76/25/384287625.db2.gz NCJQEOMCCMARKY-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)CCC(F)(F)F ZINC000084095178 384366989 /nfs/dbraw/zinc/36/69/89/384366989.db2.gz VDECGUJQHFXDNI-QMMMGPOBSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)CCC(F)(F)F ZINC000084095178 384367000 /nfs/dbraw/zinc/36/70/00/384367000.db2.gz VDECGUJQHFXDNI-QMMMGPOBSA-N 1 2 239.237 1.822 20 0 BDADLO CCc1ncc(C[N@@H+](CC)C2COC2)s1 ZINC000449425005 384324051 /nfs/dbraw/zinc/32/40/51/384324051.db2.gz LRKDNBRKGZRKNL-UHFFFAOYSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1ncc(C[N@H+](CC)C2COC2)s1 ZINC000449425005 384324059 /nfs/dbraw/zinc/32/40/59/384324059.db2.gz LRKDNBRKGZRKNL-UHFFFAOYSA-N 1 2 226.345 1.926 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(F)cn1 ZINC000134029058 384327925 /nfs/dbraw/zinc/32/79/25/384327925.db2.gz HNQNBHPELIOHJI-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO O=C(c1ccon1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120195722 384334815 /nfs/dbraw/zinc/33/48/15/384334815.db2.gz VHWFSFNWXNVGAG-JTQLQIEISA-N 1 2 246.270 1.765 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](C)SC)C(=O)OC ZINC000169071266 384401756 /nfs/dbraw/zinc/40/17/56/384401756.db2.gz YTNRILBJEUPHSM-JGVFFNPUSA-N 1 2 205.323 1.279 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1CC(=O)C1 ZINC000135010518 384407420 /nfs/dbraw/zinc/40/74/20/384407420.db2.gz MFTXCURCTLWCHA-UHFFFAOYSA-N 1 2 233.271 1.065 20 0 BDADLO CC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CCS1 ZINC000304566876 384420615 /nfs/dbraw/zinc/42/06/15/384420615.db2.gz ZLFOVNWDPZREAV-MRVPVSSYSA-N 1 2 239.348 1.094 20 0 BDADLO CC[C@@H]1CN(c2nc(N)nc(C)[nH+]2)CCS1 ZINC000304566876 384420618 /nfs/dbraw/zinc/42/06/18/384420618.db2.gz ZLFOVNWDPZREAV-MRVPVSSYSA-N 1 2 239.348 1.094 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCOc1ccccc1 ZINC000076692414 384381923 /nfs/dbraw/zinc/38/19/23/384381923.db2.gz RFSZUZULDRBJEK-UHFFFAOYSA-N 1 2 237.299 1.607 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@H]1CCOC1 ZINC000120845783 384383700 /nfs/dbraw/zinc/38/37/00/384383700.db2.gz DCTFUDWEFGODRV-LLVKDONJSA-N 1 2 249.314 1.890 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@H](O)CC2)n1 ZINC000331552465 384388743 /nfs/dbraw/zinc/38/87/43/384388743.db2.gz BMLQCCFDDVRQIX-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@H](O)CC2)n1 ZINC000331552465 384388751 /nfs/dbraw/zinc/38/87/51/384388751.db2.gz BMLQCCFDDVRQIX-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000530516752 384389588 /nfs/dbraw/zinc/38/95/88/384389588.db2.gz NCZXATSGVMRJGB-LBPRGKRZSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000530516752 384389597 /nfs/dbraw/zinc/38/95/97/384389597.db2.gz NCZXATSGVMRJGB-LBPRGKRZSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1ccc(F)cn1 ZINC000568176915 384455974 /nfs/dbraw/zinc/45/59/74/384455974.db2.gz IGJLRBCOUKMMON-ZDUSSCGKSA-N 1 2 249.289 1.075 20 0 BDADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1ccc(F)cn1 ZINC000568176915 384455983 /nfs/dbraw/zinc/45/59/83/384455983.db2.gz IGJLRBCOUKMMON-ZDUSSCGKSA-N 1 2 249.289 1.075 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000564702799 384457090 /nfs/dbraw/zinc/45/70/90/384457090.db2.gz ABJQZFKGQQTWTG-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000564702799 384457098 /nfs/dbraw/zinc/45/70/98/384457098.db2.gz ABJQZFKGQQTWTG-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc([S@](C)=O)c1 ZINC000121863100 384442514 /nfs/dbraw/zinc/44/25/14/384442514.db2.gz OKNADTLJQWYBKY-QGZVFWFLSA-N 1 2 249.339 1.770 20 0 BDADLO CC[C@]1(C)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000135691711 384460960 /nfs/dbraw/zinc/46/09/60/384460960.db2.gz UDEQVDXXWYEDFY-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO C[C@H](N[C@H]1CCn2cc[nH+]c21)C(C)(F)F ZINC000335658614 384462931 /nfs/dbraw/zinc/46/29/31/384462931.db2.gz VHTKGEDOJFDAJO-YUMQZZPRSA-N 1 2 215.247 1.961 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)C ZINC000136081837 384479775 /nfs/dbraw/zinc/47/97/75/384479775.db2.gz BUWDPDLFOQVDAC-VIFPVBQESA-N 1 2 224.308 1.369 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCCNC1=O ZINC000079046640 384483570 /nfs/dbraw/zinc/48/35/70/384483570.db2.gz HXVFOXKXRJXKFB-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000568207504 384504726 /nfs/dbraw/zinc/50/47/26/384504726.db2.gz IOSLEYXVFRMKMN-NXEZZACHSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000568207504 384504731 /nfs/dbraw/zinc/50/47/31/384504731.db2.gz IOSLEYXVFRMKMN-NXEZZACHSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ncnn1C)c1ccco1 ZINC000276747479 384514931 /nfs/dbraw/zinc/51/49/31/384514931.db2.gz ZVDNUFGLRCQYFB-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@H](CC(=O)NCC1CCC1)n1cc[nH+]c1 ZINC000521051635 384517880 /nfs/dbraw/zinc/51/78/80/384517880.db2.gz FKMNWHNKITVLAJ-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO Cn1c[nH+]cc1CNCc1cn(C(C)(C)C)nn1 ZINC000330806104 384520160 /nfs/dbraw/zinc/52/01/60/384520160.db2.gz HBVPXPHAGROESM-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO Cc1nc(N)c(CNC(=O)CC2CCCC2)c[nH+]1 ZINC000556844025 384521285 /nfs/dbraw/zinc/52/12/85/384521285.db2.gz DJDHZAHSRSXQPK-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO CSCC[N@H+](C)Cc1cc(C)on1 ZINC000097474032 384524771 /nfs/dbraw/zinc/52/47/71/384524771.db2.gz DHMRYPLXPRGJFB-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO CSCC[N@@H+](C)Cc1cc(C)on1 ZINC000097474032 384524774 /nfs/dbraw/zinc/52/47/74/384524774.db2.gz DHMRYPLXPRGJFB-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc2nn[nH]c2c1 ZINC000150959867 384527413 /nfs/dbraw/zinc/52/74/13/384527413.db2.gz XIANMOHNCJHFGP-QMMMGPOBSA-N 1 2 245.286 1.039 20 0 BDADLO CN(CCOCCO)c1[nH]c2ccccc2[nH+]1 ZINC000306059504 384531601 /nfs/dbraw/zinc/53/16/01/384531601.db2.gz WNIHVBRACGKCTF-UHFFFAOYSA-N 1 2 235.287 1.008 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)OC)[C@H](C)CC ZINC000183590317 384546680 /nfs/dbraw/zinc/54/66/80/384546680.db2.gz YWMUJMJOMWTLGM-GMTAPVOTSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccn1 ZINC000183971491 384547036 /nfs/dbraw/zinc/54/70/36/384547036.db2.gz KKMUGGSOVJOXEN-SECBINFHSA-N 1 2 243.314 1.928 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)F ZINC000271070785 384547213 /nfs/dbraw/zinc/54/72/13/384547213.db2.gz LIQISWMWLLLEFE-QMMMGPOBSA-N 1 2 213.256 1.136 20 0 BDADLO COC(=O)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000097635547 384538424 /nfs/dbraw/zinc/53/84/24/384538424.db2.gz ULTWXBXJQQNWFJ-SNVBAGLBSA-N 1 2 235.287 1.174 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1CCC[C@H](O)C1 ZINC000049932448 384577486 /nfs/dbraw/zinc/57/74/86/384577486.db2.gz UJFSLHFHCWZKKL-JTQLQIEISA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1occc1C[N@H+]1CCC[C@H](O)C1 ZINC000049932448 384577495 /nfs/dbraw/zinc/57/74/95/384577495.db2.gz UJFSLHFHCWZKKL-JTQLQIEISA-N 1 2 239.271 1.023 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CC23CC3)[nH+]1 ZINC000561227538 384578031 /nfs/dbraw/zinc/57/80/31/384578031.db2.gz CUYYKLVFJQSNBA-VIFPVBQESA-N 1 2 228.299 1.900 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](OC)C2)o1 ZINC000111218369 384579519 /nfs/dbraw/zinc/57/95/19/384579519.db2.gz ZJZWVVSLNQWDFS-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](OC)C2)o1 ZINC000111218369 384579530 /nfs/dbraw/zinc/57/95/30/384579530.db2.gz ZJZWVVSLNQWDFS-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)C)C2 ZINC000335319848 384581280 /nfs/dbraw/zinc/58/12/80/384581280.db2.gz CLALQCOYRIODLE-UHFFFAOYSA-N 1 2 218.300 1.399 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)C)C2 ZINC000335319848 384581285 /nfs/dbraw/zinc/58/12/85/384581285.db2.gz CLALQCOYRIODLE-UHFFFAOYSA-N 1 2 218.300 1.399 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000097989709 384582298 /nfs/dbraw/zinc/58/22/98/384582298.db2.gz AXQXAWZIBQGZHH-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000097989709 384582303 /nfs/dbraw/zinc/58/23/03/384582303.db2.gz AXQXAWZIBQGZHH-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000050087774 384590161 /nfs/dbraw/zinc/59/01/61/384590161.db2.gz ZJKZHUDVCDCVLB-SECBINFHSA-N 1 2 247.298 1.808 20 0 BDADLO COC(=O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041042215 384604367 /nfs/dbraw/zinc/60/43/67/384604367.db2.gz RLDWADJDBGXHLF-ZDUSSCGKSA-N 1 2 219.284 1.900 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647350687 384632654 /nfs/dbraw/zinc/63/26/54/384632654.db2.gz NQYHEIALXVUCFA-OYNCUSHFSA-N 1 2 209.293 1.546 20 0 BDADLO Cc1nnc([C@H](C)Nc2nc(C)[nH+]cc2C)[nH]1 ZINC000568247954 384607541 /nfs/dbraw/zinc/60/75/41/384607541.db2.gz CCFXKUCXWLAMBY-ZETCQYMHSA-N 1 2 232.291 1.115 20 0 BDADLO COCc1cnc(C[NH2+]CCF)s1 ZINC000336650968 384607627 /nfs/dbraw/zinc/60/76/27/384607627.db2.gz IYDQYNJFCGRXDZ-UHFFFAOYSA-N 1 2 204.270 1.349 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000172885062 384632789 /nfs/dbraw/zinc/63/27/89/384632789.db2.gz ICWRSNVMWQTVGU-ZDUSSCGKSA-N 1 2 239.290 1.673 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000172885062 384632796 /nfs/dbraw/zinc/63/27/96/384632796.db2.gz ICWRSNVMWQTVGU-ZDUSSCGKSA-N 1 2 239.290 1.673 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2cc(CO)cc[nH+]2)C1 ZINC000158121075 384611123 /nfs/dbraw/zinc/61/11/23/384611123.db2.gz ODUMWZBELBTLNJ-NXEZZACHSA-N 1 2 206.289 1.809 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCCCO1 ZINC000335333786 384612968 /nfs/dbraw/zinc/61/29/68/384612968.db2.gz GGQANNDXWDRKFW-UHFFFAOYSA-N 1 2 223.276 1.217 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@H](C)c1cccc(O)c1 ZINC000080931414 384593183 /nfs/dbraw/zinc/59/31/83/384593183.db2.gz DTUZGFGRTKQQNP-SNVBAGLBSA-N 1 2 237.299 1.948 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@H](C)c1cccc(O)c1 ZINC000080931414 384593191 /nfs/dbraw/zinc/59/31/91/384593191.db2.gz DTUZGFGRTKQQNP-SNVBAGLBSA-N 1 2 237.299 1.948 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1 ZINC000517957146 384599246 /nfs/dbraw/zinc/59/92/46/384599246.db2.gz NGIZBDAUFKFZFM-LLVKDONJSA-N 1 2 243.310 1.905 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1 ZINC000517957146 384599250 /nfs/dbraw/zinc/59/92/50/384599250.db2.gz NGIZBDAUFKFZFM-LLVKDONJSA-N 1 2 243.310 1.905 20 0 BDADLO CC[C@@H](COC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000172505356 384600641 /nfs/dbraw/zinc/60/06/41/384600641.db2.gz DQRHQKPGAIHLTQ-NSHDSACASA-N 1 2 247.298 1.489 20 0 BDADLO Cn1cnnc1C[NH2+][C@H]1CCCc2occc21 ZINC000123987973 384600933 /nfs/dbraw/zinc/60/09/33/384600933.db2.gz HMJZHZIIVVECSW-JTQLQIEISA-N 1 2 232.287 1.575 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccc(N)nc1)CC2 ZINC000647538013 384663947 /nfs/dbraw/zinc/66/39/47/384663947.db2.gz CBMZOYXUSBQUCZ-UHFFFAOYSA-N 1 2 243.314 1.015 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccc(N)nc1)CC2 ZINC000647538013 384663953 /nfs/dbraw/zinc/66/39/53/384663953.db2.gz CBMZOYXUSBQUCZ-UHFFFAOYSA-N 1 2 243.314 1.015 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCC(C)(C)C)CCOC1 ZINC000309625727 384664812 /nfs/dbraw/zinc/66/48/12/384664812.db2.gz GILWFIWNUOOZSJ-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)/C=C\c1ccnn1C ZINC000255496600 384667443 /nfs/dbraw/zinc/66/74/43/384667443.db2.gz SNGUIUAXFOGNFP-ARJAWSKDSA-N 1 2 242.282 1.775 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000050683143 384639255 /nfs/dbraw/zinc/63/92/55/384639255.db2.gz HFDPLCBKYSJDDW-SECBINFHSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1CCC[C@@H](O)C1 ZINC000050683143 384639262 /nfs/dbraw/zinc/63/92/62/384639262.db2.gz HFDPLCBKYSJDDW-SECBINFHSA-N 1 2 239.271 1.023 20 0 BDADLO CSC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000124740032 384675080 /nfs/dbraw/zinc/67/50/80/384675080.db2.gz RBBOGAWFRGSTCV-ZETCQYMHSA-N 1 2 237.332 1.527 20 0 BDADLO CSC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000124740233 384675120 /nfs/dbraw/zinc/67/51/20/384675120.db2.gz RBBOGAWFRGSTCV-SSDOTTSWSA-N 1 2 237.332 1.527 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)OCCCF ZINC000496208416 533083988 /nfs/dbraw/zinc/08/39/88/533083988.db2.gz RWOLXIURJJUQCC-UHFFFAOYSA-N 1 2 242.250 1.676 20 0 BDADLO C/C=C/C=C/C(=O)NCc1[nH+]ccn1C ZINC000082257697 384653953 /nfs/dbraw/zinc/65/39/53/384653953.db2.gz LDLDLEYRFLBSSB-VNKDHWASSA-N 1 2 205.261 1.169 20 0 BDADLO COCC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000343445256 384657349 /nfs/dbraw/zinc/65/73/49/384657349.db2.gz DYEUZWQWHYLLHO-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO COCC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000343445256 384657359 /nfs/dbraw/zinc/65/73/59/384657359.db2.gz DYEUZWQWHYLLHO-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000363921055 384659354 /nfs/dbraw/zinc/65/93/54/384659354.db2.gz KKBORVIONJFHPA-NSHDSACASA-N 1 2 237.303 1.038 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000363921055 384659364 /nfs/dbraw/zinc/65/93/64/384659364.db2.gz KKBORVIONJFHPA-NSHDSACASA-N 1 2 237.303 1.038 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000082277637 384660444 /nfs/dbraw/zinc/66/04/44/384660444.db2.gz XYRGBGLVLQLZNF-UHFFFAOYSA-N 1 2 244.298 1.689 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)nc1 ZINC000185150592 384684259 /nfs/dbraw/zinc/68/42/59/384684259.db2.gz XFJRKESDUKOPHO-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)nc1 ZINC000185150592 384684264 /nfs/dbraw/zinc/68/42/64/384684264.db2.gz XFJRKESDUKOPHO-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO CCOC[C@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000309900346 384697849 /nfs/dbraw/zinc/69/78/49/384697849.db2.gz HJRUNYULJZKVGR-SECBINFHSA-N 1 2 244.722 1.853 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@H]2C)o1 ZINC000173783028 384721342 /nfs/dbraw/zinc/72/13/42/384721342.db2.gz FCYKLZHJTUCOQB-MRVPVSSYSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2C)o1 ZINC000173783028 384721347 /nfs/dbraw/zinc/72/13/47/384721347.db2.gz FCYKLZHJTUCOQB-MRVPVSSYSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H](C)C[S@](C)=O)s1 ZINC000185428231 384721847 /nfs/dbraw/zinc/72/18/47/384721847.db2.gz KSONMAVBJZVJFP-GLEZIHRCSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H](C)C[S@](C)=O)s1 ZINC000185428231 384721858 /nfs/dbraw/zinc/72/18/58/384721858.db2.gz KSONMAVBJZVJFP-GLEZIHRCSA-N 1 2 246.401 1.650 20 0 BDADLO CCc1cc(N)nc(S[C@H](C)C(=O)OC)[nH+]1 ZINC000279012688 384732418 /nfs/dbraw/zinc/73/24/18/384732418.db2.gz AOVQJANQSTXGLB-ZCFIWIBFSA-N 1 2 241.316 1.275 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1cccnc1N ZINC000052720389 384745156 /nfs/dbraw/zinc/74/51/56/384745156.db2.gz ACMTZEMXZBMISN-UHFFFAOYSA-N 1 2 217.272 1.889 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1cccnc1N ZINC000052720389 384745162 /nfs/dbraw/zinc/74/51/62/384745162.db2.gz ACMTZEMXZBMISN-UHFFFAOYSA-N 1 2 217.272 1.889 20 0 BDADLO CNc1nc(CNc2cc[nH+]c(C)n2)cs1 ZINC000176734548 384754832 /nfs/dbraw/zinc/75/48/32/384754832.db2.gz HFJLZHNJOBYLBO-UHFFFAOYSA-N 1 2 235.316 1.895 20 0 BDADLO CC[C@H](CNc1[nH+]cnc2c1cnn2C)OC ZINC000290595534 384758465 /nfs/dbraw/zinc/75/84/65/384758465.db2.gz RDZDQTIAYUMDKP-MRVPVSSYSA-N 1 2 235.291 1.200 20 0 BDADLO Cn1ccc(C[NH2+]Cc2csnn2)c1 ZINC000308502727 384768634 /nfs/dbraw/zinc/76/86/34/384768634.db2.gz BCJBQXXBJTVIKK-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000042518199 384818557 /nfs/dbraw/zinc/81/85/57/384818557.db2.gz MHIILZOTWHPSKU-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000042518199 384818564 /nfs/dbraw/zinc/81/85/64/384818564.db2.gz MHIILZOTWHPSKU-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO CC[C@](C)([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000308586958 384825019 /nfs/dbraw/zinc/82/50/19/384825019.db2.gz ISMOTEWZKMEZIZ-SCZZXKLOSA-N 1 2 205.273 1.666 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1CCCC[C@H]1O ZINC000300236518 384827450 /nfs/dbraw/zinc/82/74/50/384827450.db2.gz NVVCNWJUEYIYQX-VHSXEESVSA-N 1 2 237.290 1.097 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1CCCC[C@H]1O ZINC000300236518 384827452 /nfs/dbraw/zinc/82/74/52/384827452.db2.gz NVVCNWJUEYIYQX-VHSXEESVSA-N 1 2 237.290 1.097 20 0 BDADLO Cc1nsc(NCCn2cc[nH+]c2)n1 ZINC000083648237 384785750 /nfs/dbraw/zinc/78/57/50/384785750.db2.gz RKCDQLGXWHNMAA-UHFFFAOYSA-N 1 2 209.278 1.155 20 0 BDADLO CCCCOCC[NH2+]C(C)(C)C(=O)OCC ZINC000310017499 384796318 /nfs/dbraw/zinc/79/63/18/384796318.db2.gz LMYIGCQFRVHOKP-UHFFFAOYSA-N 1 2 231.336 1.734 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+](C)C[C@H](C)O)cs1 ZINC000175263571 384885243 /nfs/dbraw/zinc/88/52/43/384885243.db2.gz BKMHGUPHZDSXEQ-DTWKUNHWSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+](C)C[C@H](C)O)cs1 ZINC000175263571 384885253 /nfs/dbraw/zinc/88/52/53/384885253.db2.gz BKMHGUPHZDSXEQ-DTWKUNHWSA-N 1 2 244.360 1.663 20 0 BDADLO Cc1cc(N2CCC([C@@H](C)O)CC2)nc[nH+]1 ZINC000225738249 384885348 /nfs/dbraw/zinc/88/53/48/384885348.db2.gz OLCGTGDPNZPKEJ-SNVBAGLBSA-N 1 2 221.304 1.382 20 0 BDADLO COC(C)(C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119606186 384886244 /nfs/dbraw/zinc/88/62/44/384886244.db2.gz GKWTZWWKUGUFJN-UHFFFAOYSA-N 1 2 237.303 1.937 20 0 BDADLO CCC[C@H]([NH2+]CCC(C)(C)O)C(=O)OCC ZINC000336675787 384888052 /nfs/dbraw/zinc/88/80/52/384888052.db2.gz VJGOTAPXTSCOGR-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000449663759 384852056 /nfs/dbraw/zinc/85/20/56/384852056.db2.gz PADCBGWROFQUSO-GARJFASQSA-N 1 2 229.320 1.484 20 0 BDADLO CCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000087806348 384855392 /nfs/dbraw/zinc/85/53/92/384855392.db2.gz LWWZDFLXQDJGJV-UHFFFAOYSA-N 1 2 224.333 1.462 20 0 BDADLO CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000087806348 384855400 /nfs/dbraw/zinc/85/54/00/384855400.db2.gz LWWZDFLXQDJGJV-UHFFFAOYSA-N 1 2 224.333 1.462 20 0 BDADLO COc1ncccc1CNc1cc[nH+]c(C)n1 ZINC000054935901 384862436 /nfs/dbraw/zinc/86/24/36/384862436.db2.gz PZZGXMDDTIOTMT-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1(CF)CCC1 ZINC000648224682 384955493 /nfs/dbraw/zinc/95/54/93/384955493.db2.gz VBAOPEMPRUFBTJ-UHFFFAOYSA-N 1 2 239.294 1.518 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000255603671 384892619 /nfs/dbraw/zinc/89/26/19/384892619.db2.gz ZZGZCKUNYOMCBQ-QUCGXOGASA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000255603671 384892625 /nfs/dbraw/zinc/89/26/25/384892625.db2.gz ZZGZCKUNYOMCBQ-QUCGXOGASA-N 1 2 248.301 1.659 20 0 BDADLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@@H](F)C1 ZINC000336263173 384892681 /nfs/dbraw/zinc/89/26/81/384892681.db2.gz VWMWUWQEMOFKKJ-DGCLKSJQSA-N 1 2 248.301 1.984 20 0 BDADLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@@H](F)C1 ZINC000336263173 384892688 /nfs/dbraw/zinc/89/26/88/384892688.db2.gz VWMWUWQEMOFKKJ-DGCLKSJQSA-N 1 2 248.301 1.984 20 0 BDADLO CCc1cc(N)nc(SCC(=O)C(C)C)[nH+]1 ZINC000279124257 384893004 /nfs/dbraw/zinc/89/30/04/384893004.db2.gz UWQDDAKJXIRBGJ-UHFFFAOYSA-N 1 2 239.344 1.938 20 0 BDADLO Cc1cc[nH+]c(NC[C@]2(O)CCOC2)c1Cl ZINC000309884022 384893071 /nfs/dbraw/zinc/89/30/71/384893071.db2.gz XFDFPNYKNVKATP-LLVKDONJSA-N 1 2 242.706 1.607 20 0 BDADLO COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000039186464 384902762 /nfs/dbraw/zinc/90/27/62/384902762.db2.gz HWEPXRBQZCQVQQ-UHFFFAOYSA-N 1 2 216.240 1.718 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(C2CC2)nn1 ZINC000559413483 384902777 /nfs/dbraw/zinc/90/27/77/384902777.db2.gz KJNZRYTXHXGZAX-UHFFFAOYSA-N 1 2 229.287 1.122 20 0 BDADLO c1ncc(C[NH+]2CCN(C3CC3)CC2)s1 ZINC000127889696 384958548 /nfs/dbraw/zinc/95/85/48/384958548.db2.gz ONWNZBWOAIXMOY-UHFFFAOYSA-N 1 2 223.345 1.423 20 0 BDADLO CSCC[C@H](C)[N@H+](C)Cc1ncnn1C ZINC000177203621 384905182 /nfs/dbraw/zinc/90/51/82/384905182.db2.gz YQABQEYDYBNNTH-VIFPVBQESA-N 1 2 228.365 1.389 20 0 BDADLO CSCC[C@H](C)[N@@H+](C)Cc1ncnn1C ZINC000177203621 384905191 /nfs/dbraw/zinc/90/51/91/384905191.db2.gz YQABQEYDYBNNTH-VIFPVBQESA-N 1 2 228.365 1.389 20 0 BDADLO Cn1cc[nH+]c1CNC(C)(C)c1nccs1 ZINC000164097181 384915202 /nfs/dbraw/zinc/91/52/02/384915202.db2.gz LIFBMTOEUMTDRW-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO c1cc(C[NH2+][C@@H]2COCc3ccccc32)n[nH]1 ZINC000225994628 384916156 /nfs/dbraw/zinc/91/61/56/384916156.db2.gz KWWRGUIMDBWAMQ-CYBMUJFWSA-N 1 2 229.283 1.771 20 0 BDADLO C[C@@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000051821170 384919526 /nfs/dbraw/zinc/91/95/26/384919526.db2.gz PNCAVPCJCYPTKS-MRVPVSSYSA-N 1 2 205.261 1.380 20 0 BDADLO CCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367596925 384923499 /nfs/dbraw/zinc/92/34/99/384923499.db2.gz AUNXULUMULGKFU-SNVBAGLBSA-N 1 2 209.293 1.413 20 0 BDADLO CC[C@H]1COCCN1Cc1[nH+]ccn1CC ZINC000172012853 384939798 /nfs/dbraw/zinc/93/97/98/384939798.db2.gz WPDGAFVPMTXBIT-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCc1cc(N)nc(S[C@@H](C)COC)[nH+]1 ZINC000279149817 384974257 /nfs/dbraw/zinc/97/42/57/384974257.db2.gz ZSBFRFUKKYTFPC-ZETCQYMHSA-N 1 2 227.333 1.748 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000127975733 384976075 /nfs/dbraw/zinc/97/60/75/384976075.db2.gz KYKXXSDEEQMEEO-GFCCVEGCSA-N 1 2 249.358 1.847 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000127975733 384976079 /nfs/dbraw/zinc/97/60/79/384976079.db2.gz KYKXXSDEEQMEEO-GFCCVEGCSA-N 1 2 249.358 1.847 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1noc(C2CC2)n1 ZINC000310313303 384976359 /nfs/dbraw/zinc/97/63/59/384976359.db2.gz UNFHVQCSRKFGGS-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1noc(C2CC2)n1 ZINC000310313303 384976364 /nfs/dbraw/zinc/97/63/64/384976364.db2.gz UNFHVQCSRKFGGS-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](c3ccncc3)C2)no1 ZINC000555879019 384980738 /nfs/dbraw/zinc/98/07/38/384980738.db2.gz UJSHNPBOHDGXKV-LBPRGKRZSA-N 1 2 244.298 1.763 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](c3ccncc3)C2)no1 ZINC000555879019 384980741 /nfs/dbraw/zinc/98/07/41/384980741.db2.gz UJSHNPBOHDGXKV-LBPRGKRZSA-N 1 2 244.298 1.763 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@H]1CCCO1 ZINC000187827303 384987963 /nfs/dbraw/zinc/98/79/63/384987963.db2.gz SAGCALCRMGYKNS-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@H]1CCCO1 ZINC000187827303 384987970 /nfs/dbraw/zinc/98/79/70/384987970.db2.gz SAGCALCRMGYKNS-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CC(C)(C)C2)n(C)n1 ZINC000557516314 384995852 /nfs/dbraw/zinc/99/58/52/384995852.db2.gz QVZKKZMHDXHCMZ-UHFFFAOYSA-N 1 2 236.319 1.009 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2)c(C)c1 ZINC000238483427 384998964 /nfs/dbraw/zinc/99/89/64/384998964.db2.gz BWCNWOBUPWOZSC-UHFFFAOYSA-N 1 2 218.300 1.235 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2)c(C)c1 ZINC000238483427 384998970 /nfs/dbraw/zinc/99/89/70/384998970.db2.gz BWCNWOBUPWOZSC-UHFFFAOYSA-N 1 2 218.300 1.235 20 0 BDADLO Cc1c[nH+]c(CN[C@@H]2CCC[C@@H]2F)n1C ZINC000339586004 385022600 /nfs/dbraw/zinc/02/26/00/385022600.db2.gz DMLSYIGPGXSOIP-VHSXEESVSA-N 1 2 211.284 1.709 20 0 BDADLO CO[C@]1(CNc2cc(C)[nH+]cn2)CCOC1 ZINC000156880953 385004971 /nfs/dbraw/zinc/00/49/71/385004971.db2.gz GFFUPNZIIMBSDF-NSHDSACASA-N 1 2 223.276 1.002 20 0 BDADLO Cc1noc(C[NH+]2CCC(OC(C)C)CC2)n1 ZINC000530687575 385015861 /nfs/dbraw/zinc/01/58/61/385015861.db2.gz XMNNNRVGSSLYOY-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CN1CCCCC1=O ZINC000107288268 384962504 /nfs/dbraw/zinc/96/25/04/384962504.db2.gz JEVJMOMJVHDTLQ-UHFFFAOYSA-N 1 2 247.298 1.341 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000188468831 385054310 /nfs/dbraw/zinc/05/43/10/385054310.db2.gz GQSMLNFCZIAQOV-MRVPVSSYSA-N 1 2 241.360 1.408 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000188494441 385059448 /nfs/dbraw/zinc/05/94/48/385059448.db2.gz VUKOGMNHTVZLGL-BDAKNGLRSA-N 1 2 241.360 1.661 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CC[C@H](C)O2)no1 ZINC000188539303 385062042 /nfs/dbraw/zinc/06/20/42/385062042.db2.gz RJLNHENAKBFHOT-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CC[C@H](C)O2)no1 ZINC000188539303 385062048 /nfs/dbraw/zinc/06/20/48/385062048.db2.gz RJLNHENAKBFHOT-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO c1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)[nH+]c1 ZINC000128901342 385085104 /nfs/dbraw/zinc/08/51/04/385085104.db2.gz NTTJJMLCRMMBBT-RYUDHWBXSA-N 1 2 234.299 1.466 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H](CO)C2)no1 ZINC000051886985 385029850 /nfs/dbraw/zinc/02/98/50/385029850.db2.gz GXFPCQDDAQNGDJ-SECBINFHSA-N 1 2 239.319 1.181 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H](CO)C2)no1 ZINC000051886985 385029856 /nfs/dbraw/zinc/02/98/56/385029856.db2.gz GXFPCQDDAQNGDJ-SECBINFHSA-N 1 2 239.319 1.181 20 0 BDADLO CO[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569353523 385030179 /nfs/dbraw/zinc/03/01/79/385030179.db2.gz SQFDNTXROGFIKG-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569353523 385030181 /nfs/dbraw/zinc/03/01/81/385030181.db2.gz SQFDNTXROGFIKG-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176189773 385036527 /nfs/dbraw/zinc/03/65/27/385036527.db2.gz JXCNAFODARZFMA-NXEZZACHSA-N 1 2 248.282 1.446 20 0 BDADLO CCCOc1cc(O)ccc1[NH2+]CCC(N)=O ZINC000644700735 385118802 /nfs/dbraw/zinc/11/88/02/385118802.db2.gz NDVLPKWCFMDWRA-UHFFFAOYSA-N 1 2 238.287 1.468 20 0 BDADLO COc1nccnc1C[N@@H+]1CCCOC[C@H]1C ZINC000648375227 385121230 /nfs/dbraw/zinc/12/12/30/385121230.db2.gz VVWAIZHGXWQEFY-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@H+]1CCCOC[C@H]1C ZINC000648375227 385121236 /nfs/dbraw/zinc/12/12/36/385121236.db2.gz VVWAIZHGXWQEFY-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO FC(F)C(F)(F)COCCn1cc[nH+]c1 ZINC000189114333 385124463 /nfs/dbraw/zinc/12/44/63/385124463.db2.gz JCFRMAAOSWKLIJ-UHFFFAOYSA-N 1 2 226.173 1.800 20 0 BDADLO Cc1cc(C)n(CC(=O)Nc2ccc(N)[nH+]c2)n1 ZINC000061680204 385131746 /nfs/dbraw/zinc/13/17/46/385131746.db2.gz OUZLNSSRWFTTIM-UHFFFAOYSA-N 1 2 245.286 1.116 20 0 BDADLO CC[C@H](O)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000448773547 385136751 /nfs/dbraw/zinc/13/67/51/385136751.db2.gz VSYJEWOPSJIQNA-VIFPVBQESA-N 1 2 237.303 1.247 20 0 BDADLO CCCCCN(CCO)c1cc[nH+]c(C)n1 ZINC000176735162 385142713 /nfs/dbraw/zinc/14/27/13/385142713.db2.gz OJINCLGWWVCRMR-UHFFFAOYSA-N 1 2 223.320 1.774 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000644668856 385085877 /nfs/dbraw/zinc/08/58/77/385085877.db2.gz JMVSBKCLHNEKBC-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000644668856 385085881 /nfs/dbraw/zinc/08/58/81/385085881.db2.gz JMVSBKCLHNEKBC-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO CC(C)(C(=O)N1CCCCO1)c1c[nH+]c[nH]1 ZINC000646963512 385089526 /nfs/dbraw/zinc/08/95/26/385089526.db2.gz VTWFCPGAMSPWSR-UHFFFAOYSA-N 1 2 223.276 1.241 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC000644680020 385093269 /nfs/dbraw/zinc/09/32/69/385093269.db2.gz MDAZZVSDUCVUHA-ZETCQYMHSA-N 1 2 216.235 1.200 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC000644680020 385093275 /nfs/dbraw/zinc/09/32/75/385093275.db2.gz MDAZZVSDUCVUHA-ZETCQYMHSA-N 1 2 216.235 1.200 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2O)c(C)[nH+]1 ZINC000176716904 385140767 /nfs/dbraw/zinc/14/07/67/385140767.db2.gz JFFGXPIKTCQTIW-VXGBXAGGSA-N 1 2 249.314 1.733 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@](C)(OC)C2)no1 ZINC000407949857 385106554 /nfs/dbraw/zinc/10/65/54/385106554.db2.gz QELBTHDLSJYVQM-LBPRGKRZSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@](C)(OC)C2)no1 ZINC000407949857 385106561 /nfs/dbraw/zinc/10/65/61/385106561.db2.gz QELBTHDLSJYVQM-LBPRGKRZSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000189827104 385188287 /nfs/dbraw/zinc/18/82/87/385188287.db2.gz ZOSQYRSAICACBS-MNOVXSKESA-N 1 2 249.314 1.673 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363377409 385199830 /nfs/dbraw/zinc/19/98/30/385199830.db2.gz AZCUZSVXIHMHBX-NSHDSACASA-N 1 2 233.315 1.314 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062052453 385152509 /nfs/dbraw/zinc/15/25/09/385152509.db2.gz ROOGCVIYHYZNBF-UWVGGRQHSA-N 1 2 239.290 1.908 20 0 BDADLO Cc1cc(NC(=O)CCc2cncs2)cc[nH+]1 ZINC000559755459 385153210 /nfs/dbraw/zinc/15/32/10/385153210.db2.gz ITMYEAXVUGFMCP-UHFFFAOYSA-N 1 2 247.323 1.840 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]Cc2c[nH]nc2C)o1 ZINC000227555967 385158621 /nfs/dbraw/zinc/15/86/21/385158621.db2.gz UQWGGBNHIPLENJ-VIFPVBQESA-N 1 2 220.276 1.865 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000129582428 385166308 /nfs/dbraw/zinc/16/63/08/385166308.db2.gz VXKYUZRKRPYAEM-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000129582428 385166310 /nfs/dbraw/zinc/16/63/10/385166310.db2.gz VXKYUZRKRPYAEM-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000176987736 385166734 /nfs/dbraw/zinc/16/67/34/385166734.db2.gz UAEODWMNSIHUIB-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ncnn1C ZINC000176987736 385166738 /nfs/dbraw/zinc/16/67/38/385166738.db2.gz UAEODWMNSIHUIB-LBPRGKRZSA-N 1 2 245.330 1.491 20 0 BDADLO C[C@H]([NH2+]Cc1cscn1)C(=O)NC(C)(C)C ZINC000062258223 385168632 /nfs/dbraw/zinc/16/86/32/385168632.db2.gz TVODTUVHAGEHOD-QMMMGPOBSA-N 1 2 241.360 1.536 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCc1ccc(F)cc1 ZINC000177044520 385171143 /nfs/dbraw/zinc/17/11/43/385171143.db2.gz NYQKZNLYJFDHDM-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000177044520 385171146 /nfs/dbraw/zinc/17/11/46/385171146.db2.gz NYQKZNLYJFDHDM-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000178021460 385172002 /nfs/dbraw/zinc/17/20/02/385172002.db2.gz SFMPWZIZPXKTOS-GFCCVEGCSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000178021460 385172006 /nfs/dbraw/zinc/17/20/06/385172006.db2.gz SFMPWZIZPXKTOS-GFCCVEGCSA-N 1 2 239.319 1.324 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000648313559 385172264 /nfs/dbraw/zinc/17/22/64/385172264.db2.gz BPLHBXRYFIDQFW-SNVBAGLBSA-N 1 2 233.271 1.434 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000152347395 385177071 /nfs/dbraw/zinc/17/70/71/385177071.db2.gz SBHYYFAZWUMNMM-LBPRGKRZSA-N 1 2 233.315 1.182 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000152347395 385177076 /nfs/dbraw/zinc/17/70/76/385177076.db2.gz SBHYYFAZWUMNMM-LBPRGKRZSA-N 1 2 233.315 1.182 20 0 BDADLO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(C)on1 ZINC000279687778 385177790 /nfs/dbraw/zinc/17/77/90/385177790.db2.gz TXNJBKSSJIOMNO-SECBINFHSA-N 1 2 246.332 1.068 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C=C/Cl ZINC000152380834 385178270 /nfs/dbraw/zinc/17/82/70/385178270.db2.gz NZVOJWFECOFFHL-HYYFJVDXSA-N 1 2 216.712 1.339 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000152380834 385178275 /nfs/dbraw/zinc/17/82/75/385178275.db2.gz NZVOJWFECOFFHL-HYYFJVDXSA-N 1 2 216.712 1.339 20 0 BDADLO OC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110111790 385210363 /nfs/dbraw/zinc/21/03/63/385210363.db2.gz JMSHJIOHRPDASO-JTQLQIEISA-N 1 2 233.315 1.563 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cocn1 ZINC000647068613 385214958 /nfs/dbraw/zinc/21/49/58/385214958.db2.gz MAFVWHUOJYTTBS-UHFFFAOYSA-N 1 2 233.227 1.008 20 0 BDADLO CCC(CC)(CO)CNc1cc(C)[nH+]cn1 ZINC000157591813 385217547 /nfs/dbraw/zinc/21/75/47/385217547.db2.gz JVNRSYRGGRPSDH-UHFFFAOYSA-N 1 2 223.320 1.996 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000308857761 385218224 /nfs/dbraw/zinc/21/82/24/385218224.db2.gz UKBWIXGYJDVCOE-PHDIDXHHSA-N 1 2 230.699 1.548 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000308857761 385218230 /nfs/dbraw/zinc/21/82/30/385218230.db2.gz UKBWIXGYJDVCOE-PHDIDXHHSA-N 1 2 230.699 1.548 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCCO1 ZINC000152878182 385220115 /nfs/dbraw/zinc/22/01/15/385220115.db2.gz CSYWMXNRBJMUDO-LBPRGKRZSA-N 1 2 220.272 1.898 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCCO1 ZINC000152878290 385220338 /nfs/dbraw/zinc/22/03/38/385220338.db2.gz CSYWMXNRBJMUDO-GFCCVEGCSA-N 1 2 220.272 1.898 20 0 BDADLO CC(C)[N@@H+](Cc1csnn1)C[C@H](C)O ZINC000120025454 385222234 /nfs/dbraw/zinc/22/22/34/385222234.db2.gz IENCBQHMFOTBGR-QMMMGPOBSA-N 1 2 215.322 1.129 20 0 BDADLO CC(C)[N@H+](Cc1csnn1)C[C@H](C)O ZINC000120025454 385222243 /nfs/dbraw/zinc/22/22/43/385222243.db2.gz IENCBQHMFOTBGR-QMMMGPOBSA-N 1 2 215.322 1.129 20 0 BDADLO Fc1ccc(C[NH2+]Cc2cc[nH]n2)nc1 ZINC000308869246 385225721 /nfs/dbraw/zinc/22/57/21/385225721.db2.gz IHBZFJRMHRRFGM-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO Cc1cccn2cc(CC(=O)N[C@@H](C)CF)[nH+]c12 ZINC000647075456 385229290 /nfs/dbraw/zinc/22/92/90/385229290.db2.gz OEPCZAGFHQOVRP-JTQLQIEISA-N 1 2 249.289 1.659 20 0 BDADLO Nc1[nH+]cnc(NCc2cccnc2)c1Cl ZINC000227840730 385257294 /nfs/dbraw/zinc/25/72/94/385257294.db2.gz QLOXSXLVTRZNLM-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Nc1nc[nH+]c(NCc2cccnc2)c1Cl ZINC000227840730 385257298 /nfs/dbraw/zinc/25/72/98/385257298.db2.gz QLOXSXLVTRZNLM-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000190391104 385237062 /nfs/dbraw/zinc/23/70/62/385237062.db2.gz NLLNSSZSFBRGRD-UWVGGRQHSA-N 1 2 247.298 1.488 20 0 BDADLO Cc1[nH]c(CNCC(F)(F)F)[nH+]c1C ZINC000565845192 385237703 /nfs/dbraw/zinc/23/77/03/385237703.db2.gz PPCSKXBAWSKJHT-UHFFFAOYSA-N 1 2 207.199 1.678 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCC[C@@H]1O ZINC000189651148 385245132 /nfs/dbraw/zinc/24/51/32/385245132.db2.gz YYGOQBRLNQFDRT-JQWIXIFHSA-N 1 2 231.299 1.899 20 0 BDADLO CCCCNc1nc[nH+]c(N)c1Cl ZINC000227840679 385252581 /nfs/dbraw/zinc/25/25/81/385252581.db2.gz YQVVTDJXWNDFNJ-UHFFFAOYSA-N 1 2 200.673 1.924 20 0 BDADLO CCCCNc1[nH+]cnc(N)c1Cl ZINC000227840679 385252587 /nfs/dbraw/zinc/25/25/87/385252587.db2.gz YQVVTDJXWNDFNJ-UHFFFAOYSA-N 1 2 200.673 1.924 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290683235 385254350 /nfs/dbraw/zinc/25/43/50/385254350.db2.gz IYFWJTCTBAFVHA-MWLCHTKSSA-N 1 2 236.319 1.408 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(O)c1 ZINC000189988397 385203169 /nfs/dbraw/zinc/20/31/69/385203169.db2.gz RVLPIGGACAIMPF-CQSZACIVSA-N 1 2 249.310 1.920 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(O)c1 ZINC000189988397 385203174 /nfs/dbraw/zinc/20/31/74/385203174.db2.gz RVLPIGGACAIMPF-CQSZACIVSA-N 1 2 249.310 1.920 20 0 BDADLO Cc1cnc(N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000063048800 385205712 /nfs/dbraw/zinc/20/57/12/385205712.db2.gz QSYWSHYUSNCSHR-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO CCc1cc(N)nc(SC[C@@](C)(O)CC)[nH+]1 ZINC000280409132 385305958 /nfs/dbraw/zinc/30/59/58/385305958.db2.gz HFMCMADRXBCNST-NSHDSACASA-N 1 2 241.360 1.874 20 0 BDADLO CCCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154307375 385317649 /nfs/dbraw/zinc/31/76/49/385317649.db2.gz GFFLNWTUNPSHMQ-UHFFFAOYSA-N 1 2 249.314 1.553 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)s1 ZINC000178715891 385318881 /nfs/dbraw/zinc/31/88/81/385318881.db2.gz SYXBUNUASUYVKN-QMMMGPOBSA-N 1 2 241.360 1.360 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(C)C)s1 ZINC000178715891 385318887 /nfs/dbraw/zinc/31/88/87/385318887.db2.gz SYXBUNUASUYVKN-QMMMGPOBSA-N 1 2 241.360 1.360 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000358507979 385258550 /nfs/dbraw/zinc/25/85/50/385258550.db2.gz LIGXQPCEOIXHCD-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000358507979 385258554 /nfs/dbraw/zinc/25/85/54/385258554.db2.gz LIGXQPCEOIXHCD-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO C[C@@H](CNC(=O)c1ccoc1)Cn1cc[nH+]c1 ZINC000153548971 385264107 /nfs/dbraw/zinc/26/41/07/385264107.db2.gz TZIMDYSBOSWCEU-JTQLQIEISA-N 1 2 233.271 1.542 20 0 BDADLO C[C@@H](CNC(=O)c1ccccn1)Cn1cc[nH+]c1 ZINC000153626448 385267100 /nfs/dbraw/zinc/26/71/00/385267100.db2.gz QWEXEZXRJNSXEA-NSHDSACASA-N 1 2 244.298 1.344 20 0 BDADLO C[C@@H](CNC(=O)c1ccco1)Cn1cc[nH+]c1 ZINC000153649971 385270594 /nfs/dbraw/zinc/27/05/94/385270594.db2.gz YCEQZNQVIVOCNK-JTQLQIEISA-N 1 2 233.271 1.542 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)co1 ZINC000191090675 385283626 /nfs/dbraw/zinc/28/36/26/385283626.db2.gz SASSZRUCKAGCIC-WDEREUQCSA-N 1 2 240.328 1.381 20 0 BDADLO c1nc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)co1 ZINC000191090675 385283627 /nfs/dbraw/zinc/28/36/27/385283627.db2.gz SASSZRUCKAGCIC-WDEREUQCSA-N 1 2 240.328 1.381 20 0 BDADLO COC[C@H]([NH2+]CCC(C)(C)C)C(=O)OC ZINC000308941289 385300094 /nfs/dbraw/zinc/30/00/94/385300094.db2.gz MGMPQPKSNPVDER-VIFPVBQESA-N 1 2 217.309 1.200 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000335901340 385331679 /nfs/dbraw/zinc/33/16/79/385331679.db2.gz RUHUETFECRDJIA-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000335901340 385331687 /nfs/dbraw/zinc/33/16/87/385331687.db2.gz RUHUETFECRDJIA-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO C[N@H+](CCC(F)(F)F)Cc1cc[nH]n1 ZINC000158112292 385350761 /nfs/dbraw/zinc/35/07/61/385350761.db2.gz GQBHZCCYZVLBHF-UHFFFAOYSA-N 1 2 207.199 1.794 20 0 BDADLO C[N@@H+](CCC(F)(F)F)Cc1cc[nH]n1 ZINC000158112292 385350765 /nfs/dbraw/zinc/35/07/65/385350765.db2.gz GQBHZCCYZVLBHF-UHFFFAOYSA-N 1 2 207.199 1.794 20 0 BDADLO CCO[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178372885 385361053 /nfs/dbraw/zinc/36/10/53/385361053.db2.gz AGAXHMRLBWNNSL-JTQLQIEISA-N 1 2 247.298 1.376 20 0 BDADLO Cc1[nH]ccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154954333 385367125 /nfs/dbraw/zinc/36/71/25/385367125.db2.gz RJRIEISCHBZRDK-UHFFFAOYSA-N 1 2 246.314 1.682 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1(C)CCC1 ZINC000154954655 385367262 /nfs/dbraw/zinc/36/72/62/385367262.db2.gz FRZDNTNDWAWRBQ-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CC[C@H]([NH2+]CCc1c(C)noc1C)C(=O)OC ZINC000192847038 385374300 /nfs/dbraw/zinc/37/43/00/385374300.db2.gz RPNALIJJNPMLSQ-NSHDSACASA-N 1 2 240.303 1.375 20 0 BDADLO CC[C@@H]([NH2+]CCCc1ccccn1)C(=O)OC ZINC000192859438 385375131 /nfs/dbraw/zinc/37/51/31/385375131.db2.gz JJPLCRYYEUBXSQ-GFCCVEGCSA-N 1 2 236.315 1.555 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000179668970 385379520 /nfs/dbraw/zinc/37/95/20/385379520.db2.gz IKCNVFPUWKXZMM-VIFPVBQESA-N 1 2 213.306 1.149 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000179668970 385379524 /nfs/dbraw/zinc/37/95/24/385379524.db2.gz IKCNVFPUWKXZMM-VIFPVBQESA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]([NH2+]Cc1cccn1C)c1ccon1 ZINC000309120042 385424439 /nfs/dbraw/zinc/42/44/39/385424439.db2.gz NFUNAWUWQUEOSY-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000180634560 385393696 /nfs/dbraw/zinc/39/36/96/385393696.db2.gz KEANVQUSPOTGRX-LLVKDONJSA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000180634560 385393701 /nfs/dbraw/zinc/39/37/01/385393701.db2.gz KEANVQUSPOTGRX-LLVKDONJSA-N 1 2 241.360 1.785 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)OCc1ccccc1 ZINC000193385362 385393951 /nfs/dbraw/zinc/39/39/51/385393951.db2.gz HHAXMWGJVNEZRO-UHFFFAOYSA-N 1 2 217.272 1.973 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)OCc1ccccc1 ZINC000193385362 385393954 /nfs/dbraw/zinc/39/39/54/385393954.db2.gz HHAXMWGJVNEZRO-UHFFFAOYSA-N 1 2 217.272 1.973 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000193962134 385418578 /nfs/dbraw/zinc/41/85/78/385418578.db2.gz RXSARRYOSQTKHC-QWRGUYRKSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000193962134 385418582 /nfs/dbraw/zinc/41/85/82/385418582.db2.gz RXSARRYOSQTKHC-QWRGUYRKSA-N 1 2 221.304 1.593 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000179155225 385446370 /nfs/dbraw/zinc/44/63/70/385446370.db2.gz GWSYGUSQMQUFEF-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000179155225 385446373 /nfs/dbraw/zinc/44/63/73/385446373.db2.gz GWSYGUSQMQUFEF-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000194431650 385435440 /nfs/dbraw/zinc/43/54/40/385435440.db2.gz WAMUUOOCXJRWQZ-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000194431650 385435444 /nfs/dbraw/zinc/43/54/44/385435444.db2.gz WAMUUOOCXJRWQZ-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1ccnc(C2CC2)n1 ZINC000156855906 385470292 /nfs/dbraw/zinc/47/02/92/385470292.db2.gz RPTQRVNZPTTWKD-UHFFFAOYSA-N 1 2 243.314 1.724 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccco1)C2 ZINC000364500232 385473858 /nfs/dbraw/zinc/47/38/58/385473858.db2.gz BKNVDIFTMXKZKB-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1C)C1CC1 ZINC000378712539 385475286 /nfs/dbraw/zinc/47/52/86/385475286.db2.gz VCQVYPJNBIAVPA-UFBFGSQYSA-N 1 2 223.320 1.794 20 0 BDADLO Cc1cnc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(O)c1 ZINC000616927908 385488448 /nfs/dbraw/zinc/48/84/48/385488448.db2.gz SZEQLTCFUTYHJV-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+]1Cc1cnoc1C1CC1 ZINC000364620101 385482958 /nfs/dbraw/zinc/48/29/58/385482958.db2.gz CKZKHMAMQLYJNH-WDEREUQCSA-N 1 2 240.278 1.457 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+]1Cc1cnoc1C1CC1 ZINC000364620101 385482962 /nfs/dbraw/zinc/48/29/62/385482962.db2.gz CKZKHMAMQLYJNH-WDEREUQCSA-N 1 2 240.278 1.457 20 0 BDADLO CN(CC[C@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891924 385459223 /nfs/dbraw/zinc/45/92/23/385459223.db2.gz DGQHSGOYYHQBNW-ZYOFXKKJSA-N 1 2 249.314 1.450 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CC=CCC1 ZINC000179791115 385492888 /nfs/dbraw/zinc/49/28/88/385492888.db2.gz HRQICEZZBPFLII-JTQLQIEISA-N 1 2 206.293 1.593 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CC=CCC1 ZINC000179791115 385492890 /nfs/dbraw/zinc/49/28/90/385492890.db2.gz HRQICEZZBPFLII-JTQLQIEISA-N 1 2 206.293 1.593 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000111272867 385498441 /nfs/dbraw/zinc/49/84/41/385498441.db2.gz GJVWPKHOZQWQOI-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000111272867 385498443 /nfs/dbraw/zinc/49/84/43/385498443.db2.gz GJVWPKHOZQWQOI-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000111274635 385500668 /nfs/dbraw/zinc/50/06/68/385500668.db2.gz RRABVGQSPWRACO-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000111274635 385500672 /nfs/dbraw/zinc/50/06/72/385500672.db2.gz RRABVGQSPWRACO-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364739237 385508027 /nfs/dbraw/zinc/50/80/27/385508027.db2.gz LPWGCYISWNXZJU-LBPRGKRZSA-N 1 2 235.283 1.099 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364739237 385508029 /nfs/dbraw/zinc/50/80/29/385508029.db2.gz LPWGCYISWNXZJU-LBPRGKRZSA-N 1 2 235.283 1.099 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OC ZINC000183196717 385512223 /nfs/dbraw/zinc/51/22/23/385512223.db2.gz RKZRYDWEDJFMRU-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccc(F)cc1C[NH+]1CCN(C)CC1 ZINC000183242018 385513761 /nfs/dbraw/zinc/51/37/61/385513761.db2.gz IHSNIZKJRNOBEK-UHFFFAOYSA-N 1 2 222.307 1.882 20 0 BDADLO CC[C@H](O)CCCNc1nc[nH+]c(N)c1Cl ZINC000309299170 385515695 /nfs/dbraw/zinc/51/56/95/385515695.db2.gz SNLDLFVRXCKYGW-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO CC[C@H](O)CCCNc1[nH+]cnc(N)c1Cl ZINC000309299170 385515699 /nfs/dbraw/zinc/51/56/99/385515699.db2.gz SNLDLFVRXCKYGW-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1ncc(C)s1 ZINC000157700404 385516708 /nfs/dbraw/zinc/51/67/08/385516708.db2.gz XHUOICUTUGONQY-SECBINFHSA-N 1 2 242.344 1.487 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ncc(C)s1 ZINC000157700404 385516713 /nfs/dbraw/zinc/51/67/13/385516713.db2.gz XHUOICUTUGONQY-SECBINFHSA-N 1 2 242.344 1.487 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364932300 385542424 /nfs/dbraw/zinc/54/24/24/385542424.db2.gz HVOOGHWNEAPVID-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccn(C)n2)C[C@@H](C)O1 ZINC000334217067 385519724 /nfs/dbraw/zinc/51/97/24/385519724.db2.gz WGMAPDCJHFWVTN-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@H](C)O1 ZINC000334217067 385519728 /nfs/dbraw/zinc/51/97/28/385519728.db2.gz WGMAPDCJHFWVTN-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361042359 385520564 /nfs/dbraw/zinc/52/05/64/385520564.db2.gz ABLCVBYPMBBBFH-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361042359 385520568 /nfs/dbraw/zinc/52/05/68/385520568.db2.gz ABLCVBYPMBBBFH-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361042359 385520570 /nfs/dbraw/zinc/52/05/70/385520570.db2.gz ABLCVBYPMBBBFH-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361042359 385520574 /nfs/dbraw/zinc/52/05/74/385520574.db2.gz ABLCVBYPMBBBFH-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000172161355 385523626 /nfs/dbraw/zinc/52/36/26/385523626.db2.gz CTHQLBLHGGQCRL-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000172161355 385523634 /nfs/dbraw/zinc/52/36/34/385523634.db2.gz CTHQLBLHGGQCRL-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000408128533 385558013 /nfs/dbraw/zinc/55/80/13/385558013.db2.gz JUDOAWYPDRVYOO-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCCO[C@H](C)C2)o1 ZINC000408128533 385558016 /nfs/dbraw/zinc/55/80/16/385558016.db2.gz JUDOAWYPDRVYOO-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccon1 ZINC000107291525 385561565 /nfs/dbraw/zinc/56/15/65/385561565.db2.gz PVBWWRIQZMDJQL-UHFFFAOYSA-N 1 2 203.201 1.630 20 0 BDADLO O=C(CC[NH+]1CCOCC1)OCc1ccccc1 ZINC000181421094 385577250 /nfs/dbraw/zinc/57/72/50/385577250.db2.gz BBCJLSJHHXBGQI-UHFFFAOYSA-N 1 2 249.310 1.452 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)OC ZINC000309409960 385572795 /nfs/dbraw/zinc/57/27/95/385572795.db2.gz BRCKVBYLIBDLTK-SCVCMEIPSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@]1(C(=O)Nc2ccn3cc[nH+]c3c2)CCCO1 ZINC000280793897 385605444 /nfs/dbraw/zinc/60/54/44/385605444.db2.gz PFQOSBKPXHNQSV-ZDUSSCGKSA-N 1 2 245.282 1.842 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCOC2)c(C)c[nH+]1 ZINC000493470100 385579797 /nfs/dbraw/zinc/57/97/97/385579797.db2.gz VIKWKPJZPCTQFF-PCAWENJQSA-N 1 2 246.310 1.652 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCOC2)c(C)c[nH+]1 ZINC000493470101 385579802 /nfs/dbraw/zinc/57/98/02/385579802.db2.gz VIKWKPJZPCTQFF-VSQXVHSFSA-N 1 2 246.310 1.652 20 0 BDADLO COC(=O)C1([NH2+]CCC(C)(C)O)CCCC1 ZINC000309459746 385591472 /nfs/dbraw/zinc/59/14/72/385591472.db2.gz NOQNNUXPCYNZFM-UHFFFAOYSA-N 1 2 229.320 1.223 20 0 BDADLO COC(=O)C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363807567 385614589 /nfs/dbraw/zinc/61/45/89/385614589.db2.gz WVAFVVHYTYPLNX-UHFFFAOYSA-N 1 2 249.314 1.137 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1sc(C)nc1C ZINC000280906235 385616782 /nfs/dbraw/zinc/61/67/82/385616782.db2.gz PZVGDEKANNEAKI-QMMMGPOBSA-N 1 2 242.344 1.753 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1sc(C)nc1C ZINC000280906235 385616786 /nfs/dbraw/zinc/61/67/86/385616786.db2.gz PZVGDEKANNEAKI-QMMMGPOBSA-N 1 2 242.344 1.753 20 0 BDADLO CS[C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269806478 385636354 /nfs/dbraw/zinc/63/63/54/385636354.db2.gz BGBGGAHAKLWOGX-ZCFIWIBFSA-N 1 2 213.306 1.199 20 0 BDADLO CC[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000336650702 385619817 /nfs/dbraw/zinc/61/98/17/385619817.db2.gz DVOAGDHFLNLFDW-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000336650702 385619820 /nfs/dbraw/zinc/61/98/20/385619820.db2.gz DVOAGDHFLNLFDW-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](CNC(=O)[C@H]1CC1(C)C)Cn1cc[nH+]c1 ZINC000269818525 385636779 /nfs/dbraw/zinc/63/67/79/385636779.db2.gz XVHRIQGNGCMOOX-GHMZBOCLSA-N 1 2 235.331 1.682 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cnccc1C ZINC000281006629 385627950 /nfs/dbraw/zinc/62/79/50/385627950.db2.gz YEIMIBTUBIKKQC-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cnccc1C ZINC000281006629 385627955 /nfs/dbraw/zinc/62/79/55/385627955.db2.gz YEIMIBTUBIKKQC-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cnccc1C ZINC000281006632 385628738 /nfs/dbraw/zinc/62/87/38/385628738.db2.gz YEIMIBTUBIKKQC-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cnccc1C ZINC000281006632 385628739 /nfs/dbraw/zinc/62/87/39/385628739.db2.gz YEIMIBTUBIKKQC-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO C[C@@H]1CN(Cc2cnn[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000451054810 385631108 /nfs/dbraw/zinc/63/11/08/385631108.db2.gz LZTPELGPVRUOSE-LLVKDONJSA-N 1 2 249.362 1.111 20 0 BDADLO C[C@@H]1CN(Cc2cnn[nH]2)CC[N@H+](C2CCC2)C1 ZINC000451054810 385631115 /nfs/dbraw/zinc/63/11/15/385631115.db2.gz LZTPELGPVRUOSE-LLVKDONJSA-N 1 2 249.362 1.111 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000309486305 385612548 /nfs/dbraw/zinc/61/25/48/385612548.db2.gz GPJYOUWPRUKDRG-JTQLQIEISA-N 1 2 237.328 1.305 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC1(C)C ZINC000269818030 385637628 /nfs/dbraw/zinc/63/76/28/385637628.db2.gz BJOCKINPTFAUSH-VHSXEESVSA-N 1 2 221.304 1.434 20 0 BDADLO c1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000269879053 385641454 /nfs/dbraw/zinc/64/14/54/385641454.db2.gz QUBURSWTFKSVRB-LLVKDONJSA-N 1 2 241.298 1.562 20 0 BDADLO CO[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)C ZINC000270050211 385662112 /nfs/dbraw/zinc/66/21/12/385662112.db2.gz FNWNNXRRYFTJIW-JTQLQIEISA-N 1 2 239.319 1.509 20 0 BDADLO C[N@H+](Cc1ncnn1CCF)Cc1ccccc1 ZINC000281465924 385673900 /nfs/dbraw/zinc/67/39/00/385673900.db2.gz NGIQNVRDEPXUHI-UHFFFAOYSA-N 1 2 248.305 1.880 20 0 BDADLO C[N@@H+](Cc1ncnn1CCF)Cc1ccccc1 ZINC000281465924 385673904 /nfs/dbraw/zinc/67/39/04/385673904.db2.gz NGIQNVRDEPXUHI-UHFFFAOYSA-N 1 2 248.305 1.880 20 0 BDADLO Cn1ncc2c1nc(NCCC1(C)CC1)[nH+]c2N ZINC000281529473 385678558 /nfs/dbraw/zinc/67/85/58/385678558.db2.gz QYMHSBVSPDYLPX-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BDADLO O=C1C[N@H+](CCCc2cccc(F)c2)CCN1 ZINC000182599735 385685609 /nfs/dbraw/zinc/68/56/09/385685609.db2.gz FPOGORSBCQRFMS-UHFFFAOYSA-N 1 2 236.290 1.190 20 0 BDADLO O=C1C[N@@H+](CCCc2cccc(F)c2)CCN1 ZINC000182599735 385685616 /nfs/dbraw/zinc/68/56/16/385685616.db2.gz FPOGORSBCQRFMS-UHFFFAOYSA-N 1 2 236.290 1.190 20 0 BDADLO O=C(C[N@H+]1CC=C(C(F)(F)F)CC1)NC1CC1 ZINC000270281892 385693694 /nfs/dbraw/zinc/69/36/94/385693694.db2.gz MKDYBCMQTQBHBU-UHFFFAOYSA-N 1 2 248.248 1.459 20 0 BDADLO O=C(C[N@@H+]1CC=C(C(F)(F)F)CC1)NC1CC1 ZINC000270281892 385693696 /nfs/dbraw/zinc/69/36/96/385693696.db2.gz MKDYBCMQTQBHBU-UHFFFAOYSA-N 1 2 248.248 1.459 20 0 BDADLO FC(F)(F)OCC[NH2+]Cc1ccn[nH]1 ZINC000336653692 385718024 /nfs/dbraw/zinc/71/80/24/385718024.db2.gz LXJIDZQUQABKJP-UHFFFAOYSA-N 1 2 209.171 1.036 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270375388 385701894 /nfs/dbraw/zinc/70/18/94/385701894.db2.gz ZYICPKQDECPYKM-QMMMGPOBSA-N 1 2 236.237 1.445 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270375388 385701895 /nfs/dbraw/zinc/70/18/95/385701895.db2.gz ZYICPKQDECPYKM-QMMMGPOBSA-N 1 2 236.237 1.445 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1c(O)cccc1F ZINC000185814505 385740162 /nfs/dbraw/zinc/74/01/62/385740162.db2.gz JFTDSASLWLDNMD-UHFFFAOYSA-N 1 2 249.245 1.227 20 0 BDADLO CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000337661609 385743306 /nfs/dbraw/zinc/74/33/06/385743306.db2.gz LXMKVLCERIWCRX-UHFFFAOYSA-N 1 2 221.182 1.082 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282327180 385753549 /nfs/dbraw/zinc/75/35/49/385753549.db2.gz UPRUDZVKWNZBAZ-LBPRGKRZSA-N 1 2 232.327 1.658 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282327180 385753556 /nfs/dbraw/zinc/75/35/56/385753556.db2.gz UPRUDZVKWNZBAZ-LBPRGKRZSA-N 1 2 232.327 1.658 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCCCCCO ZINC000183443603 385762901 /nfs/dbraw/zinc/76/29/01/385762901.db2.gz AZGHPQIOFNMKKR-UHFFFAOYSA-N 1 2 249.318 1.328 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCOC(C)C ZINC000183449645 385763827 /nfs/dbraw/zinc/76/38/27/385763827.db2.gz KUKDIABRQYDCLL-UHFFFAOYSA-N 1 2 237.303 1.937 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2nccn2C)n1 ZINC000270964861 385764809 /nfs/dbraw/zinc/76/48/09/385764809.db2.gz AXRBBANVEGFIIJ-UHFFFAOYSA-N 1 2 247.346 1.365 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2nccn2C)n1 ZINC000270964861 385764816 /nfs/dbraw/zinc/76/48/16/385764816.db2.gz AXRBBANVEGFIIJ-UHFFFAOYSA-N 1 2 247.346 1.365 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1CO ZINC000270985703 385768207 /nfs/dbraw/zinc/76/82/07/385768207.db2.gz ARHHIJRJLXZYLS-SNVBAGLBSA-N 1 2 235.287 1.379 20 0 BDADLO CC[C@H]1CN(C(=O)Nc2cc[nH+]cc2C)C[C@H]1O ZINC000271116271 385787322 /nfs/dbraw/zinc/78/73/22/385787322.db2.gz HPKNPWOFDXPWQF-CMPLNLGQSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000271000243 385769477 /nfs/dbraw/zinc/76/94/77/385769477.db2.gz DLJZTTYHZZPTSB-XYPYZODXSA-N 1 2 249.314 1.815 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccn(C)n1 ZINC000271018637 385772306 /nfs/dbraw/zinc/77/23/06/385772306.db2.gz SJDWIHGIWAAWSW-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000271018637 385772312 /nfs/dbraw/zinc/77/23/12/385772312.db2.gz SJDWIHGIWAAWSW-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCSC[C@H]1C ZINC000336550482 385772996 /nfs/dbraw/zinc/77/29/96/385772996.db2.gz ZKEFMRBQPWVKSP-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCSC[C@H]1C ZINC000336550482 385773000 /nfs/dbraw/zinc/77/30/00/385773000.db2.gz ZKEFMRBQPWVKSP-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000293977938 385779231 /nfs/dbraw/zinc/77/92/31/385779231.db2.gz RBPROYKNCIWOIA-LLVKDONJSA-N 1 2 228.267 1.279 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000293977938 385779234 /nfs/dbraw/zinc/77/92/34/385779234.db2.gz RBPROYKNCIWOIA-LLVKDONJSA-N 1 2 228.267 1.279 20 0 BDADLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](C)O ZINC000282049218 385726481 /nfs/dbraw/zinc/72/64/81/385726481.db2.gz RNESBDVHQXQCRN-GWCFXTLKSA-N 1 2 249.310 1.140 20 0 BDADLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](C)O ZINC000282049218 385726485 /nfs/dbraw/zinc/72/64/85/385726485.db2.gz RNESBDVHQXQCRN-GWCFXTLKSA-N 1 2 249.310 1.140 20 0 BDADLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](C)O ZINC000282049240 385727443 /nfs/dbraw/zinc/72/74/43/385727443.db2.gz RNESBDVHQXQCRN-ZWNOBZJWSA-N 1 2 249.310 1.140 20 0 BDADLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](C)O ZINC000282049240 385727448 /nfs/dbraw/zinc/72/74/48/385727448.db2.gz RNESBDVHQXQCRN-ZWNOBZJWSA-N 1 2 249.310 1.140 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)C(F)(F)F ZINC000183921204 385803609 /nfs/dbraw/zinc/80/36/09/385803609.db2.gz WOEMDVHTDWSJBC-SCZZXKLOSA-N 1 2 248.248 1.788 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000183921204 385803614 /nfs/dbraw/zinc/80/36/14/385803614.db2.gz WOEMDVHTDWSJBC-SCZZXKLOSA-N 1 2 248.248 1.788 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000271293265 385814751 /nfs/dbraw/zinc/81/47/51/385814751.db2.gz RSLUDCYYJNZVFX-ZYHUDNBSSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000271293265 385814755 /nfs/dbraw/zinc/81/47/55/385814755.db2.gz RSLUDCYYJNZVFX-ZYHUDNBSSA-N 1 2 223.320 1.311 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)Cn1cccn1)C(=O)OC ZINC000354928620 385822613 /nfs/dbraw/zinc/82/26/13/385822613.db2.gz UKYFBZZSZLNMNT-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C)(C)CCCO)c[nH+]1 ZINC000271381627 385822912 /nfs/dbraw/zinc/82/29/12/385822912.db2.gz JUBDOFGWEYPTKP-UHFFFAOYSA-N 1 2 239.319 1.247 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(OC)n2)CCO1 ZINC000294493499 385857785 /nfs/dbraw/zinc/85/77/85/385857785.db2.gz AAVTVGMRYQXQQV-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(OC)n2)CCO1 ZINC000294493499 385857788 /nfs/dbraw/zinc/85/77/88/385857788.db2.gz AAVTVGMRYQXQQV-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC(C(C)(C)C)C1 ZINC000413368010 385835386 /nfs/dbraw/zinc/83/53/86/385835386.db2.gz RICOWEJBEFJZLE-UHFFFAOYSA-N 1 2 245.330 1.846 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC000283929270 385840245 /nfs/dbraw/zinc/84/02/45/385840245.db2.gz KJCAYKBKJSNFNH-VMDCKITASA-N 1 2 231.299 1.537 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2CC2(C)C)c1 ZINC000413612680 385845737 /nfs/dbraw/zinc/84/57/37/385845737.db2.gz UTGODCWWVDBPHK-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO CCN(CC(=O)OC)Cc1cccc2[nH+]ccn21 ZINC000271748933 385848314 /nfs/dbraw/zinc/84/83/14/385848314.db2.gz UQNSBUPDYICTPD-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC[C@H](CO)C2)cc[nH+]1 ZINC000413618112 385848760 /nfs/dbraw/zinc/84/87/60/385848760.db2.gz UNVNIRNIYWMRNV-NWDGAFQWSA-N 1 2 249.358 1.985 20 0 BDADLO CC1=C[C@H](C)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337944800 385853958 /nfs/dbraw/zinc/85/39/58/385853958.db2.gz UEFQQYQQMVBROP-VIFPVBQESA-N 1 2 243.314 1.766 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(F)F)C1 ZINC000365932314 385854620 /nfs/dbraw/zinc/85/46/20/385854620.db2.gz QMULUHRCLAPEMN-QMMMGPOBSA-N 1 2 243.257 1.391 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000337814963 385794420 /nfs/dbraw/zinc/79/44/20/385794420.db2.gz OALHQNBRDOKEOA-IUCAKERBSA-N 1 2 240.253 1.906 20 0 BDADLO CCN(CCCO)C(=O)Nc1cc[nH+]cc1C ZINC000271176837 385797827 /nfs/dbraw/zinc/79/78/27/385797827.db2.gz ZBZFMKOZGPGECM-UHFFFAOYSA-N 1 2 237.303 1.626 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccncc1C ZINC000294707814 385885241 /nfs/dbraw/zinc/88/52/41/385885241.db2.gz FJEVKCNIVYSTLH-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccncc1C ZINC000294707814 385885244 /nfs/dbraw/zinc/88/52/44/385885244.db2.gz FJEVKCNIVYSTLH-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000294728126 385886894 /nfs/dbraw/zinc/88/68/94/385886894.db2.gz XCVDBYVUBPVORP-SECBINFHSA-N 1 2 222.288 1.753 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OC ZINC000355074756 385890293 /nfs/dbraw/zinc/89/02/93/385890293.db2.gz IYFYBCQOZKTICM-NEPJUHHUSA-N 1 2 243.347 1.899 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000294731116 385890701 /nfs/dbraw/zinc/89/07/01/385890701.db2.gz PZPYBLRWGSIBFP-NEPJUHHUSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000294731116 385890705 /nfs/dbraw/zinc/89/07/05/385890705.db2.gz PZPYBLRWGSIBFP-NEPJUHHUSA-N 1 2 222.288 1.736 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OC ZINC000355074766 385890913 /nfs/dbraw/zinc/89/09/13/385890913.db2.gz IYFYBCQOZKTICM-RYUDHWBXSA-N 1 2 243.347 1.899 20 0 BDADLO CCC[C@@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000336721067 385891430 /nfs/dbraw/zinc/89/14/30/385891430.db2.gz DHERHRSZISMWIM-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000408259183 385893745 /nfs/dbraw/zinc/89/37/45/385893745.db2.gz HUSGPKDFXOYJTR-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000408259183 385893751 /nfs/dbraw/zinc/89/37/51/385893751.db2.gz HUSGPKDFXOYJTR-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000285034353 385894827 /nfs/dbraw/zinc/89/48/27/385894827.db2.gz HWFISBXJYAWABB-VHSXEESVSA-N 1 2 239.319 1.500 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000294866962 385905694 /nfs/dbraw/zinc/90/56/94/385905694.db2.gz PXPXGELZFYRMQO-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cnccc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000294866962 385905699 /nfs/dbraw/zinc/90/56/99/385905699.db2.gz PXPXGELZFYRMQO-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cn1nccc1C1=CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000285217472 385907434 /nfs/dbraw/zinc/90/74/34/385907434.db2.gz AHPPKRCWLKUMPX-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1nccc1C1=CC[N@H+](Cc2ncc[nH]2)CC1 ZINC000285217472 385907438 /nfs/dbraw/zinc/90/74/38/385907438.db2.gz AHPPKRCWLKUMPX-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1nccc1C1=CC[N@@H+](Cc2ncc[nH]2)CC1 ZINC000285217472 385907443 /nfs/dbraw/zinc/90/74/43/385907443.db2.gz AHPPKRCWLKUMPX-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO CCC[C@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000294893307 385911191 /nfs/dbraw/zinc/91/11/91/385911191.db2.gz DEBFLRCPWNOPRD-VIFPVBQESA-N 1 2 245.754 1.666 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000294893307 385911194 /nfs/dbraw/zinc/91/11/94/385911194.db2.gz DEBFLRCPWNOPRD-VIFPVBQESA-N 1 2 245.754 1.666 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000272542005 385911657 /nfs/dbraw/zinc/91/16/57/385911657.db2.gz PIXRAKOGBOXQLP-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000272542005 385911662 /nfs/dbraw/zinc/91/16/62/385911662.db2.gz PIXRAKOGBOXQLP-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO CON(Cc1[nH+]ccn1C)CC(C)(C)C ZINC000285365468 385918077 /nfs/dbraw/zinc/91/80/77/385918077.db2.gz BURBFKGDOZSLME-UHFFFAOYSA-N 1 2 211.309 1.830 20 0 BDADLO CC[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)c1[nH]cc[nH+]1 ZINC000338218858 385919533 /nfs/dbraw/zinc/91/95/33/385919533.db2.gz CVDREBLDQBTWLO-FXQIFTODSA-N 1 2 243.257 1.878 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(F)F)c1[nH]cc[nH+]1 ZINC000338218860 385920084 /nfs/dbraw/zinc/92/00/84/385920084.db2.gz CVDREBLDQBTWLO-RNJXMRFFSA-N 1 2 243.257 1.878 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CC=C(C)CC1 ZINC000285487633 385929993 /nfs/dbraw/zinc/92/99/93/385929993.db2.gz DEBISJMKJPERGD-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CC=C(C)CC1 ZINC000285487633 385930001 /nfs/dbraw/zinc/93/00/01/385930001.db2.gz DEBISJMKJPERGD-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO COC(=O)c1ccoc1C[N@H+](C)C1(CO)CC1 ZINC000285457749 385927332 /nfs/dbraw/zinc/92/73/32/385927332.db2.gz JOXFWOBRVMRZEY-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+](C)C1(CO)CC1 ZINC000285457749 385927338 /nfs/dbraw/zinc/92/73/38/385927338.db2.gz JOXFWOBRVMRZEY-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO C[N@H+](Cc1c(F)cccc1F)C1(CO)CC1 ZINC000285459722 385927358 /nfs/dbraw/zinc/92/73/58/385927358.db2.gz JQMNKDDCLMICGB-UHFFFAOYSA-N 1 2 227.254 1.922 20 0 BDADLO C[N@@H+](Cc1c(F)cccc1F)C1(CO)CC1 ZINC000285459722 385927364 /nfs/dbraw/zinc/92/73/64/385927364.db2.gz JQMNKDDCLMICGB-UHFFFAOYSA-N 1 2 227.254 1.922 20 0 BDADLO Cc1ccc(O)c(CNCC[NH+]2CCCC2)n1 ZINC000112716370 385863420 /nfs/dbraw/zinc/86/34/20/385863420.db2.gz UYSPMNKXTLJVRX-UHFFFAOYSA-N 1 2 235.331 1.281 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C(C)(F)F ZINC000294574774 385868169 /nfs/dbraw/zinc/86/81/69/385868169.db2.gz MIDQWMVOACSRBJ-UHFFFAOYSA-N 1 2 229.230 1.741 20 0 BDADLO C[C@@H]1OCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000284503238 385872362 /nfs/dbraw/zinc/87/23/62/385872362.db2.gz VCITZGDXHLLNEK-OHINUGQQSA-N 1 2 235.287 1.059 20 0 BDADLO CCCc1cc(C(=O)NCc2[nH+]ccn2C)no1 ZINC000294591791 385872679 /nfs/dbraw/zinc/87/26/79/385872679.db2.gz NEEWUNKIQFBPPB-UHFFFAOYSA-N 1 2 248.286 1.291 20 0 BDADLO CCC1(CC)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000294605733 385873664 /nfs/dbraw/zinc/87/36/64/385873664.db2.gz ZUEONQGVAXOBIQ-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000272107429 385875927 /nfs/dbraw/zinc/87/59/27/385875927.db2.gz MULXRXRJZGCTNL-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO c1[nH+]cn2c1CN(Cc1noc(C3CC3)n1)CC2 ZINC000647940611 385879864 /nfs/dbraw/zinc/87/98/64/385879864.db2.gz KOVDANHJMUZZAF-UHFFFAOYSA-N 1 2 245.286 1.159 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)[C@H](CO)c1ccccc1 ZINC000295132850 385976065 /nfs/dbraw/zinc/97/60/65/385976065.db2.gz YLAJDWYCCZSXDC-CYBMUJFWSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)[C@H](CO)c1ccccc1 ZINC000295132850 385976068 /nfs/dbraw/zinc/97/60/68/385976068.db2.gz YLAJDWYCCZSXDC-CYBMUJFWSA-N 1 2 231.299 1.575 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295140553 385978082 /nfs/dbraw/zinc/97/80/82/385978082.db2.gz ZSOZHLKVMHDBKI-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295140553 385978086 /nfs/dbraw/zinc/97/80/86/385978086.db2.gz ZSOZHLKVMHDBKI-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1nccs1 ZINC000647926008 385980160 /nfs/dbraw/zinc/98/01/60/385980160.db2.gz NMMMKXUKELGUCM-UHFFFAOYSA-N 1 2 237.288 1.530 20 0 BDADLO c1coc(C2=CCC[N@@H+](Cc3cnn[nH]3)C2)c1 ZINC000295166387 385982178 /nfs/dbraw/zinc/98/21/78/385982178.db2.gz HRTDDDRMVMDCFC-UHFFFAOYSA-N 1 2 230.271 1.687 20 0 BDADLO c1coc(C2=CCC[N@H+](Cc3cnn[nH]3)C2)c1 ZINC000295166387 385982189 /nfs/dbraw/zinc/98/21/89/385982189.db2.gz HRTDDDRMVMDCFC-UHFFFAOYSA-N 1 2 230.271 1.687 20 0 BDADLO c1coc(C2=CCC[N@@H+](Cc3c[nH]nn3)C2)c1 ZINC000295166387 385982194 /nfs/dbraw/zinc/98/21/94/385982194.db2.gz HRTDDDRMVMDCFC-UHFFFAOYSA-N 1 2 230.271 1.687 20 0 BDADLO c1coc(C2=CCC[N@H+](Cc3c[nH]nn3)C2)c1 ZINC000295166387 385982198 /nfs/dbraw/zinc/98/21/98/385982198.db2.gz HRTDDDRMVMDCFC-UHFFFAOYSA-N 1 2 230.271 1.687 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@](C)(O)C1CC1 ZINC000285965338 385984307 /nfs/dbraw/zinc/98/43/07/385984307.db2.gz ATTKWLJAFQEMEB-LBPRGKRZSA-N 1 2 220.272 1.490 20 0 BDADLO Cc1nc(C[NH2+]Cc2snnc2C)cs1 ZINC000291735533 385931526 /nfs/dbraw/zinc/93/15/26/385931526.db2.gz OFWCTUIXRNIUIR-UHFFFAOYSA-N 1 2 240.357 1.901 20 0 BDADLO Cc1nc(C)n(C2CN(c3cc[nH+]c(C)n3)C2)n1 ZINC000285516495 385938048 /nfs/dbraw/zinc/93/80/48/385938048.db2.gz GJEQINCWUIFOQM-UHFFFAOYSA-N 1 2 244.302 1.055 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000335044511 385938182 /nfs/dbraw/zinc/93/81/82/385938182.db2.gz IWQYSNXEYIOUEE-YUMQZZPRSA-N 1 2 226.226 1.652 20 0 BDADLO CCC[C@@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000233315746 385939112 /nfs/dbraw/zinc/93/91/12/385939112.db2.gz YXFQKHQASCIEFH-SNVBAGLBSA-N 1 2 244.726 1.675 20 0 BDADLO CCC[C@@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000233315746 385939120 /nfs/dbraw/zinc/93/91/20/385939120.db2.gz YXFQKHQASCIEFH-SNVBAGLBSA-N 1 2 244.726 1.675 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285535447 385940157 /nfs/dbraw/zinc/94/01/57/385940157.db2.gz HQXCVTMALMQOPQ-SNVBAGLBSA-N 1 2 249.314 1.071 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285535447 385940165 /nfs/dbraw/zinc/94/01/65/385940165.db2.gz HQXCVTMALMQOPQ-SNVBAGLBSA-N 1 2 249.314 1.071 20 0 BDADLO CC/C(C)=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000295014126 385944563 /nfs/dbraw/zinc/94/45/63/385944563.db2.gz QCKBEYQDHCWLTI-YTRUQHMWSA-N 1 2 235.331 1.992 20 0 BDADLO Cn1cc(C[NH+]2CC(O)(c3ccccc3)C2)cn1 ZINC000285610639 385948974 /nfs/dbraw/zinc/94/89/74/385948974.db2.gz JUJONBZQPSUDKF-UHFFFAOYSA-N 1 2 243.310 1.124 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000338302061 385952347 /nfs/dbraw/zinc/95/23/47/385952347.db2.gz AGVKHFDRWGWOAU-APPZFPTMSA-N 1 2 227.333 1.628 20 0 BDADLO CO[C@H]1CC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000338302061 385952355 /nfs/dbraw/zinc/95/23/55/385952355.db2.gz AGVKHFDRWGWOAU-APPZFPTMSA-N 1 2 227.333 1.628 20 0 BDADLO COC(=O)c1occc1C[N@H+](C)C1(CO)CC1 ZINC000285673216 385954027 /nfs/dbraw/zinc/95/40/27/385954027.db2.gz ZWVHFRHBLVPNNA-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1occc1C[N@@H+](C)C1(CO)CC1 ZINC000285673216 385954033 /nfs/dbraw/zinc/95/40/33/385954033.db2.gz ZWVHFRHBLVPNNA-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)OC ZINC000189236535 385955827 /nfs/dbraw/zinc/95/58/27/385955827.db2.gz QLSRWVUSRYBDOS-ZJUUUORDSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1ncc(Cl)s1 ZINC000308382492 385956544 /nfs/dbraw/zinc/95/65/44/385956544.db2.gz RHYBONREAHUPTF-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000308382492 385956549 /nfs/dbraw/zinc/95/65/49/385956549.db2.gz RHYBONREAHUPTF-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CC(C)(F)F)CC2 ZINC000365227310 385962699 /nfs/dbraw/zinc/96/26/99/385962699.db2.gz FIKMWUWVWSXNPW-UHFFFAOYSA-N 1 2 243.257 1.579 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)C(=O)OC ZINC000336749733 385998662 /nfs/dbraw/zinc/99/86/62/385998662.db2.gz YWIFOWGKIWCXCS-HOSYDEDBSA-N 1 2 229.320 1.079 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@H]1c1cc[nH]n1 ZINC000286143621 385999432 /nfs/dbraw/zinc/99/94/32/385999432.db2.gz NDXHNRGFABWGHY-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)c2cccnc2)CC1=O ZINC000273508880 386009698 /nfs/dbraw/zinc/00/96/98/386009698.db2.gz ODQVVPUIULTFQA-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@H+]([C@H](C)c2cccnc2)CC1=O ZINC000273508880 386009702 /nfs/dbraw/zinc/00/97/02/386009702.db2.gz ODQVVPUIULTFQA-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO Cc1nnc(N2CC[NH+](Cc3ccco3)CC2)o1 ZINC000286240637 386012625 /nfs/dbraw/zinc/01/26/25/386012625.db2.gz UOJCXIVSSYVODE-UHFFFAOYSA-N 1 2 248.286 1.293 20 0 BDADLO CC(C)(C)[C@H](O)C[C@@H](CO)Nc1cccc[nH+]1 ZINC000286271743 386016720 /nfs/dbraw/zinc/01/67/20/386016720.db2.gz BZAKZPKLOVBTQW-WDEREUQCSA-N 1 2 238.331 1.652 20 0 BDADLO Cc1cc(CNC(=O)C2CC2)cc(C)[nH+]1 ZINC000335070938 386019847 /nfs/dbraw/zinc/01/98/47/386019847.db2.gz JQXIDSVEDRGNRO-UHFFFAOYSA-N 1 2 204.273 1.725 20 0 BDADLO C[NH2+]Cc1noc([C@@H](F)c2ccccc2)n1 ZINC000414638952 386022719 /nfs/dbraw/zinc/02/27/19/386022719.db2.gz FVFWZPFHTVJTRS-JTQLQIEISA-N 1 2 221.235 1.848 20 0 BDADLO Cc1cnc(C[NH2+]C[C@@](C)(O)C(F)(F)F)o1 ZINC000309805648 386027417 /nfs/dbraw/zinc/02/74/17/386027417.db2.gz XNHFKOKSZYUCFG-MRVPVSSYSA-N 1 2 238.209 1.386 20 0 BDADLO Cc1n[nH]c(C)c1CN(C)Cc1[nH+]ccn1C ZINC000273722987 386027626 /nfs/dbraw/zinc/02/76/26/386027626.db2.gz IRTMALPBRYAWRJ-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cn1 ZINC000334422308 386028267 /nfs/dbraw/zinc/02/82/67/386028267.db2.gz RJHZRZJURPYHBG-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cn1 ZINC000334422308 386028270 /nfs/dbraw/zinc/02/82/70/386028270.db2.gz RJHZRZJURPYHBG-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC(C2CC2)C1 ZINC000643285088 386043632 /nfs/dbraw/zinc/04/36/32/386043632.db2.gz XZUJUXFMRJKAPV-NSHDSACASA-N 1 2 245.326 1.314 20 0 BDADLO CC(F)(F)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000295524424 386046803 /nfs/dbraw/zinc/04/68/03/386046803.db2.gz BCCBCDOPHZYBRT-ONEGZZNKSA-N 1 2 243.257 1.975 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000425426762 386048955 /nfs/dbraw/zinc/04/89/55/386048955.db2.gz WPNLQXWJRVMFKB-ZYHUDNBSSA-N 1 2 229.320 1.343 20 0 BDADLO CCC[C@H](CNC(=O)CCn1cc[nH+]c1)OC ZINC000295549224 386049635 /nfs/dbraw/zinc/04/96/35/386049635.db2.gz YMSOLLPPFGFGTM-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+](C)CCC(N)=O)n1 ZINC000286590767 386055320 /nfs/dbraw/zinc/05/53/20/386055320.db2.gz VVCGJXPVHXAJQK-MRVPVSSYSA-N 1 2 240.307 1.061 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+](C)CCC(N)=O)n1 ZINC000286590767 386055323 /nfs/dbraw/zinc/05/53/23/386055323.db2.gz VVCGJXPVHXAJQK-MRVPVSSYSA-N 1 2 240.307 1.061 20 0 BDADLO CC[C@H]1C[N@H+](Cc2conc2C)C[C@H](C)O1 ZINC000295230732 385995735 /nfs/dbraw/zinc/99/57/35/385995735.db2.gz CUYRDIDSNVOOBQ-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2conc2C)C[C@H](C)O1 ZINC000295230732 385995739 /nfs/dbraw/zinc/99/57/39/385995739.db2.gz CUYRDIDSNVOOBQ-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)CC1(CO)CC1 ZINC000425451640 386101616 /nfs/dbraw/zinc/10/16/16/386101616.db2.gz WEIHPMDFVGCVLN-UHFFFAOYSA-N 1 2 247.245 1.212 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)CC1(CO)CC1 ZINC000425451640 386101621 /nfs/dbraw/zinc/10/16/21/386101621.db2.gz WEIHPMDFVGCVLN-UHFFFAOYSA-N 1 2 247.245 1.212 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](O)C[C@H]1C ZINC000334456968 386110814 /nfs/dbraw/zinc/11/08/14/386110814.db2.gz BDSRBFWCVAWZNP-MWLCHTKSSA-N 1 2 249.314 1.685 20 0 BDADLO COc1nccnc1C[N@@H+]1CCC[C@@H]1CF ZINC000295962790 386113073 /nfs/dbraw/zinc/11/30/73/386113073.db2.gz HYQCRSYLOIOJJH-SECBINFHSA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccnc1C[N@H+]1CCC[C@@H]1CF ZINC000295962790 386113078 /nfs/dbraw/zinc/11/30/78/386113078.db2.gz HYQCRSYLOIOJJH-SECBINFHSA-N 1 2 225.267 1.419 20 0 BDADLO Cc1cc(CNc2cc[nH+]cc2F)nn1C ZINC000414309893 386113030 /nfs/dbraw/zinc/11/30/30/386113030.db2.gz HHEKZUJETYGUHC-UHFFFAOYSA-N 1 2 220.251 1.297 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000340238675 386061870 /nfs/dbraw/zinc/06/18/70/386061870.db2.gz IRDAJINHWLGDRF-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000340238675 386061878 /nfs/dbraw/zinc/06/18/78/386061878.db2.gz IRDAJINHWLGDRF-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CCOC2)cc(C)[nH+]1 ZINC000335073174 386065692 /nfs/dbraw/zinc/06/56/92/386065692.db2.gz JMWOWBKUASHHBV-GFCCVEGCSA-N 1 2 234.299 1.351 20 0 BDADLO CO[C@@H](CNc1cc(C)[nH+]cn1)C(C)C ZINC000336771912 386068931 /nfs/dbraw/zinc/06/89/31/386068931.db2.gz XDYQLJZPVCOMGE-JTQLQIEISA-N 1 2 209.293 1.290 20 0 BDADLO C[NH+](C)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000365401953 386080690 /nfs/dbraw/zinc/08/06/90/386080690.db2.gz HHOANDJQKXQWGF-CYBMUJFWSA-N 1 2 236.363 1.299 20 0 BDADLO CC(C)c1nnc(CN(C)Cc2[nH+]ccn2C)o1 ZINC000162329563 386083232 /nfs/dbraw/zinc/08/32/32/386083232.db2.gz ACIBIUJSASCZKE-UHFFFAOYSA-N 1 2 249.318 1.559 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000345262382 386084138 /nfs/dbraw/zinc/08/41/38/386084138.db2.gz HSWVXHBXBFDBRC-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO COc1nccnc1CNc1ccc(C)[nH+]c1 ZINC000295833917 386092012 /nfs/dbraw/zinc/09/20/12/386092012.db2.gz VLGPVZGXROCVPC-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO O=C(Nc1ccccn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334448158 386095066 /nfs/dbraw/zinc/09/50/66/386095066.db2.gz ISCREOPQHNYWGU-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000335152038 386144796 /nfs/dbraw/zinc/14/47/96/386144796.db2.gz JTFWDONARNJLHG-NSHDSACASA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000335152038 386144802 /nfs/dbraw/zinc/14/48/02/386144802.db2.gz JTFWDONARNJLHG-NSHDSACASA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cnn(C)c1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335152038 386144808 /nfs/dbraw/zinc/14/48/08/386144808.db2.gz JTFWDONARNJLHG-NSHDSACASA-N 1 2 245.330 1.789 20 0 BDADLO Cc1cnccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000287743384 386144973 /nfs/dbraw/zinc/14/49/73/386144973.db2.gz WEYPYNPNQIONQW-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCN(C)C(=O)CNc1cc[nH+]c(C2CC2)n1 ZINC000274734136 386145013 /nfs/dbraw/zinc/14/50/13/386145013.db2.gz CODNSPCLTVHUMK-UHFFFAOYSA-N 1 2 234.303 1.244 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(O)c1 ZINC000190082590 386145651 /nfs/dbraw/zinc/14/56/51/386145651.db2.gz BIZYTNLQPGGOOP-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(O)c1 ZINC000190082590 386145656 /nfs/dbraw/zinc/14/56/56/386145656.db2.gz BIZYTNLQPGGOOP-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO CC(=O)[C@](C)(O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000335154076 386148283 /nfs/dbraw/zinc/14/82/83/386148283.db2.gz FIVSTOUCUZMZJC-CYBMUJFWSA-N 1 2 237.274 1.481 20 0 BDADLO CC(=O)[C@](C)(O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000335154076 386148287 /nfs/dbraw/zinc/14/82/87/386148287.db2.gz FIVSTOUCUZMZJC-CYBMUJFWSA-N 1 2 237.274 1.481 20 0 BDADLO CC(C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000335157520 386152479 /nfs/dbraw/zinc/15/24/79/386152479.db2.gz OHZUMLPSDVOMFG-LBPRGKRZSA-N 1 2 233.315 1.211 20 0 BDADLO CC[NH+](CC)Cc1ccc(S(C)(=O)=O)s1 ZINC000414368846 386154340 /nfs/dbraw/zinc/15/43/40/386154340.db2.gz TUZJSMBZMMQXFK-UHFFFAOYSA-N 1 2 247.385 1.993 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccoc1C ZINC000414368661 386154589 /nfs/dbraw/zinc/15/45/89/386154589.db2.gz HNYIVCXXRWBJSD-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccoc1C ZINC000414368661 386154594 /nfs/dbraw/zinc/15/45/94/386154594.db2.gz HNYIVCXXRWBJSD-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO COCCN1CC[NH+](Cc2ccoc2C)CC1 ZINC000414369362 386154792 /nfs/dbraw/zinc/15/47/92/386154792.db2.gz IWOZDRRWTISXMV-UHFFFAOYSA-N 1 2 238.331 1.352 20 0 BDADLO CN(C)C(=O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC000165438141 386161016 /nfs/dbraw/zinc/16/10/16/386161016.db2.gz BYDFCICZOVTLNY-UHFFFAOYSA-N 1 2 248.326 1.279 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)CCC(=O)c1ccccc1 ZINC000165438141 386161018 /nfs/dbraw/zinc/16/10/18/386161018.db2.gz BYDFCICZOVTLNY-UHFFFAOYSA-N 1 2 248.326 1.279 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](C)C2)no1 ZINC000356236570 386174965 /nfs/dbraw/zinc/17/49/65/386174965.db2.gz VJLJZLHYAFFQPW-QMMMGPOBSA-N 1 2 211.265 1.058 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](C)C2)no1 ZINC000356236570 386174968 /nfs/dbraw/zinc/17/49/68/386174968.db2.gz VJLJZLHYAFFQPW-QMMMGPOBSA-N 1 2 211.265 1.058 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC12CC2 ZINC000643303652 386176856 /nfs/dbraw/zinc/17/68/56/386176856.db2.gz SWGWUKKHKVZWPJ-MRVPVSSYSA-N 1 2 218.256 1.829 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(C)no1 ZINC000275119684 386183073 /nfs/dbraw/zinc/18/30/73/386183073.db2.gz OYBBZAWWSOAXEB-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(C)no1 ZINC000275119684 386183076 /nfs/dbraw/zinc/18/30/76/386183076.db2.gz OYBBZAWWSOAXEB-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425463677 386133638 /nfs/dbraw/zinc/13/36/38/386133638.db2.gz WRICBSJZNRLBCJ-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425463677 386133640 /nfs/dbraw/zinc/13/36/40/386133640.db2.gz WRICBSJZNRLBCJ-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1CCN(c2ncnn2C)C[C@H]1n1cc[nH+]c1 ZINC000647872446 386138696 /nfs/dbraw/zinc/13/86/96/386138696.db2.gz CDEXNVRUKVMBBH-GHMZBOCLSA-N 1 2 246.318 1.099 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@]1(C)CCOC1 ZINC000287697151 386141867 /nfs/dbraw/zinc/14/18/67/386141867.db2.gz ZGNHGQBFYOELJX-ZDUSSCGKSA-N 1 2 249.314 1.999 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274715746 386142326 /nfs/dbraw/zinc/14/23/26/386142326.db2.gz MWIXHFOYHLERFQ-AGIUHOORSA-N 1 2 249.358 1.928 20 0 BDADLO CC(C)c1nc(NC[C@@]2(O)CCC[C@H]2C)cc[nH+]1 ZINC000338806437 386144014 /nfs/dbraw/zinc/14/40/14/386144014.db2.gz AJEZAFWFXLTEES-RISCZKNCSA-N 1 2 249.358 1.985 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H](CO)c2ccccc2)o1 ZINC000264025836 386205539 /nfs/dbraw/zinc/20/55/39/386205539.db2.gz NWAWNANNIYBVLV-GFCCVEGCSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H](CO)c2ccccc2)o1 ZINC000264025836 386205545 /nfs/dbraw/zinc/20/55/45/386205545.db2.gz NWAWNANNIYBVLV-GFCCVEGCSA-N 1 2 247.298 1.543 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1CCCC1 ZINC000264077301 386207683 /nfs/dbraw/zinc/20/76/83/386207683.db2.gz NODAQKHCTUZRCM-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000264141086 386209471 /nfs/dbraw/zinc/20/94/71/386209471.db2.gz IXJFETZMIVVMHN-NXEZZACHSA-N 1 2 238.335 1.654 20 0 BDADLO Cc1cnc(C[NH+]2CC(C(C)(C)O)C2)s1 ZINC000297475860 386259773 /nfs/dbraw/zinc/25/97/73/386259773.db2.gz SXUSVMCOBHNXRE-UHFFFAOYSA-N 1 2 226.345 1.654 20 0 BDADLO COC[C@H](C)SCCn1cc[nH+]c1 ZINC000122503290 386216446 /nfs/dbraw/zinc/21/64/46/386216446.db2.gz XANDABFTAOPTHO-VIFPVBQESA-N 1 2 200.307 1.651 20 0 BDADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@@H]1CCOC1 ZINC000225816022 386219894 /nfs/dbraw/zinc/21/98/94/386219894.db2.gz WWWTVENFCBWBHW-RNFRBKRXSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)[C@@H]1CCOC1 ZINC000225816022 386219898 /nfs/dbraw/zinc/21/98/98/386219898.db2.gz WWWTVENFCBWBHW-RNFRBKRXSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000408403348 386221661 /nfs/dbraw/zinc/22/16/61/386221661.db2.gz DDMQBXIMBMKIOV-HTQZYQBOSA-N 1 2 246.318 1.180 20 0 BDADLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CO ZINC000297096549 386225356 /nfs/dbraw/zinc/22/53/56/386225356.db2.gz KWKIYFJVKCEWOU-UHFFFAOYSA-N 1 2 224.260 1.190 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1ccco1 ZINC000264332046 386226520 /nfs/dbraw/zinc/22/65/20/386226520.db2.gz SZQGQHUPLYXFRX-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO C[C@H](C[N@@H+]1CCNC(=O)C1)c1ccc(F)cc1 ZINC000275688073 386229466 /nfs/dbraw/zinc/22/94/66/386229466.db2.gz IMLQIXGVHMANKO-SNVBAGLBSA-N 1 2 236.290 1.361 20 0 BDADLO C[C@H](C[N@H+]1CCNC(=O)C1)c1ccc(F)cc1 ZINC000275688073 386229472 /nfs/dbraw/zinc/22/94/72/386229472.db2.gz IMLQIXGVHMANKO-SNVBAGLBSA-N 1 2 236.290 1.361 20 0 BDADLO CC(=O)c1cccc(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000297192802 386229572 /nfs/dbraw/zinc/22/95/72/386229572.db2.gz QVASCQHYFJOKPF-UHFFFAOYSA-N 1 2 246.310 1.211 20 0 BDADLO CC(=O)c1cccc(C[N@H+]2CCNC(=O)CC2)c1 ZINC000297192802 386229577 /nfs/dbraw/zinc/22/95/77/386229577.db2.gz QVASCQHYFJOKPF-UHFFFAOYSA-N 1 2 246.310 1.211 20 0 BDADLO CC(C)c1noc(C[NH2+][C@H](C)Cn2cccn2)n1 ZINC000264384331 386231528 /nfs/dbraw/zinc/23/15/28/386231528.db2.gz QJMTXOCSUMBCPI-SNVBAGLBSA-N 1 2 249.318 1.568 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1cscn1 ZINC000297205468 386232815 /nfs/dbraw/zinc/23/28/15/386232815.db2.gz RRCVVGWIAMXABJ-UHFFFAOYSA-N 1 2 228.317 1.227 20 0 BDADLO C[N@H+](CC(=O)OCc1ccccc1)[C@@H]1CCOC1 ZINC000264453987 386239735 /nfs/dbraw/zinc/23/97/35/386239735.db2.gz ITSLVPWAXQUDIN-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO C[N@@H+](CC(=O)OCc1ccccc1)[C@@H]1CCOC1 ZINC000264453987 386239738 /nfs/dbraw/zinc/23/97/38/386239738.db2.gz ITSLVPWAXQUDIN-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2cccnc2Cl)C1 ZINC000297308048 386241490 /nfs/dbraw/zinc/24/14/90/386241490.db2.gz CCCJRFUDQAWEPO-UHFFFAOYSA-N 1 2 240.734 1.938 20 0 BDADLO CCC[C@](C)([NH2+]CCOC1CCC1)C(=O)OC ZINC000347081789 386242308 /nfs/dbraw/zinc/24/23/08/386242308.db2.gz UBEZKDFHTUCRQJ-ZDUSSCGKSA-N 1 2 243.347 1.877 20 0 BDADLO CN(c1cccc[nH+]1)[C@H]1CC[C@H](O)CC1 ZINC000275819913 386243256 /nfs/dbraw/zinc/24/32/56/386243256.db2.gz DPKQFQADCYWADO-XYPYZODXSA-N 1 2 206.289 1.821 20 0 BDADLO CC[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000339091126 386244884 /nfs/dbraw/zinc/24/48/84/386244884.db2.gz NDRAHKYNAABASN-NSHDSACASA-N 1 2 235.331 1.754 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1scnc1C ZINC000264574313 386249522 /nfs/dbraw/zinc/24/95/22/386249522.db2.gz SYRHAYSBRKAOOA-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000264574313 386249527 /nfs/dbraw/zinc/24/95/27/386249527.db2.gz SYRHAYSBRKAOOA-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(CCO)C1CCC1 ZINC000275869679 386249960 /nfs/dbraw/zinc/24/99/60/386249960.db2.gz AMPJQOHXHGTNNM-UHFFFAOYSA-N 1 2 249.314 1.769 20 0 BDADLO Cn1cc(Nc2[nH+]cnc3[nH]ccc32)cn1 ZINC000339143087 386261255 /nfs/dbraw/zinc/26/12/55/386261255.db2.gz YEGLLCYPOVTABB-UHFFFAOYSA-N 1 2 214.232 1.435 20 0 BDADLO C[N@H+](Cc1ncc(C2OCCO2)s1)C1CC1 ZINC000289062723 386256635 /nfs/dbraw/zinc/25/66/35/386256635.db2.gz JFVLIHXDNHCLRB-UHFFFAOYSA-N 1 2 240.328 1.783 20 0 BDADLO C[N@@H+](Cc1ncc(C2OCCO2)s1)C1CC1 ZINC000289062723 386256641 /nfs/dbraw/zinc/25/66/41/386256641.db2.gz JFVLIHXDNHCLRB-UHFFFAOYSA-N 1 2 240.328 1.783 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCCO1 ZINC000339000689 386197649 /nfs/dbraw/zinc/19/76/49/386197649.db2.gz CRHUFTTVSQZDMB-LMCGPQHNSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCCO1 ZINC000339000689 386197653 /nfs/dbraw/zinc/19/76/53/386197653.db2.gz CRHUFTTVSQZDMB-LMCGPQHNSA-N 1 2 231.361 1.007 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000288425410 386198331 /nfs/dbraw/zinc/19/83/31/386198331.db2.gz BHIHWWIDVVASAO-BXUZGUMPSA-N 1 2 245.326 1.930 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(C)nn2)C[C@@H](C)O1 ZINC000414376427 386199576 /nfs/dbraw/zinc/19/95/76/386199576.db2.gz CDQCXFVRBZQFIO-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(C)nn2)C[C@@H](C)O1 ZINC000414376427 386199585 /nfs/dbraw/zinc/19/95/85/386199585.db2.gz CDQCXFVRBZQFIO-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(C)nn2)C[C@@H](C)O1 ZINC000414376429 386200075 /nfs/dbraw/zinc/20/00/75/386200075.db2.gz CDQCXFVRBZQFIO-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(C)nn2)C[C@@H](C)O1 ZINC000414376429 386200078 /nfs/dbraw/zinc/20/00/78/386200078.db2.gz CDQCXFVRBZQFIO-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nc(C[NH2+][C@](C)(C(N)=O)C(C)C)oc1C ZINC000289282066 386280669 /nfs/dbraw/zinc/28/06/69/386280669.db2.gz GHGWYAUQCWFUSH-LBPRGKRZSA-N 1 2 239.319 1.281 20 0 BDADLO CN(CCCCO)c1cc[nH+]c(C2CC2)n1 ZINC000276176497 386281914 /nfs/dbraw/zinc/28/19/14/386281914.db2.gz DMSCNGGZEOOYGG-UHFFFAOYSA-N 1 2 221.304 1.563 20 0 BDADLO C[N@H+](CCOCC(F)(F)F)Cc1cc[nH]n1 ZINC000336676268 386324196 /nfs/dbraw/zinc/32/41/96/386324196.db2.gz MVEIXSUGYGEADQ-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO C[N@@H+](CCOCC(F)(F)F)Cc1cc[nH]n1 ZINC000336676268 386324198 /nfs/dbraw/zinc/32/41/98/386324198.db2.gz MVEIXSUGYGEADQ-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO Cc1[nH]c(C(=O)NCC2CCSCC2)c[nH+]1 ZINC000264943824 386286228 /nfs/dbraw/zinc/28/62/28/386286228.db2.gz ATPXHPDIIKARNG-UHFFFAOYSA-N 1 2 239.344 1.591 20 0 BDADLO Cc1n[nH]cc1CNc1cc[nH+]c(C2CC2)n1 ZINC000264950046 386286521 /nfs/dbraw/zinc/28/65/21/386286521.db2.gz VAIUFPWTXJVBRL-UHFFFAOYSA-N 1 2 229.287 1.998 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2c(C)noc2C)c[nH+]1 ZINC000264973498 386290404 /nfs/dbraw/zinc/29/04/04/386290404.db2.gz YUNKVGULSLCNLF-UHFFFAOYSA-N 1 2 248.286 1.295 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000414397081 386290607 /nfs/dbraw/zinc/29/06/07/386290607.db2.gz ODZHBYSLHNIDQE-ZDUSSCGKSA-N 1 2 247.342 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000414397081 386290611 /nfs/dbraw/zinc/29/06/11/386290611.db2.gz ODZHBYSLHNIDQE-ZDUSSCGKSA-N 1 2 247.342 1.650 20 0 BDADLO CC[C@H](O)c1nccn1Cc1c[nH+]ccc1OC ZINC000289384193 386293953 /nfs/dbraw/zinc/29/39/53/386293953.db2.gz LQSXOEMSRJHIPP-NSHDSACASA-N 1 2 247.298 1.778 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cnn(C)n1 ZINC000289443249 386308627 /nfs/dbraw/zinc/30/86/27/386308627.db2.gz ZELJAYMQENPCRS-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cnn(C)n1 ZINC000289443249 386308630 /nfs/dbraw/zinc/30/86/30/386308630.db2.gz ZELJAYMQENPCRS-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO CSCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187085405 386309830 /nfs/dbraw/zinc/30/98/30/386309830.db2.gz XBRHMAJFQCMHDX-UHFFFAOYSA-N 1 2 230.377 1.150 20 0 BDADLO CSCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187085405 386309837 /nfs/dbraw/zinc/30/98/37/386309837.db2.gz XBRHMAJFQCMHDX-UHFFFAOYSA-N 1 2 230.377 1.150 20 0 BDADLO Cc1nonc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000265162205 386313321 /nfs/dbraw/zinc/31/33/21/386313321.db2.gz WITBYCAUGHWZKA-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO C/C=C/C=C/C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000298276178 386316494 /nfs/dbraw/zinc/31/64/94/386316494.db2.gz GVUKMWSPSSKXRB-YTXTXJHMSA-N 1 2 245.326 1.896 20 0 BDADLO Fc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366317923 386320139 /nfs/dbraw/zinc/32/01/39/386320139.db2.gz FEYSXZOQUODGNN-NWDGAFQWSA-N 1 2 207.248 1.799 20 0 BDADLO Fc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366317923 386320142 /nfs/dbraw/zinc/32/01/42/386320142.db2.gz FEYSXZOQUODGNN-NWDGAFQWSA-N 1 2 207.248 1.799 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc[nH]1 ZINC000289522255 386323337 /nfs/dbraw/zinc/32/33/37/386323337.db2.gz MQAWTTLSPVQHPR-AOOOYVTPSA-N 1 2 205.261 1.106 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc[nH]1 ZINC000289522255 386323340 /nfs/dbraw/zinc/32/33/40/386323340.db2.gz MQAWTTLSPVQHPR-AOOOYVTPSA-N 1 2 205.261 1.106 20 0 BDADLO C[C@H](CNC(=O)C(C)(F)F)Cn1cc[nH+]c1 ZINC000289116374 386262679 /nfs/dbraw/zinc/26/26/79/386262679.db2.gz FITOLEAAOXFFNE-MRVPVSSYSA-N 1 2 231.246 1.291 20 0 BDADLO CC(C)CN1CC[N@@H+]([C@@H]2C=CCCC2)CC1=O ZINC000187053560 386267667 /nfs/dbraw/zinc/26/76/67/386267667.db2.gz RFVDONIRSUGAAJ-CYBMUJFWSA-N 1 2 236.359 1.895 20 0 BDADLO CC(C)CN1CC[N@H+]([C@@H]2C=CCCC2)CC1=O ZINC000187053560 386267669 /nfs/dbraw/zinc/26/76/69/386267669.db2.gz RFVDONIRSUGAAJ-CYBMUJFWSA-N 1 2 236.359 1.895 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000416318800 386276276 /nfs/dbraw/zinc/27/62/76/386276276.db2.gz GHCPHBSZXBISPP-ATZCPNFKSA-N 1 2 235.331 1.764 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)[C@H]1C ZINC000416322113 386278615 /nfs/dbraw/zinc/27/86/15/386278615.db2.gz MGJREEAEEQYSGC-WOPDTQHZSA-N 1 2 249.358 1.856 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cncc(C)c2)n1 ZINC000340583082 386279573 /nfs/dbraw/zinc/27/95/73/386279573.db2.gz DMYHQEQWSLCLCP-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CS[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298440656 386342871 /nfs/dbraw/zinc/34/28/71/386342871.db2.gz IDRMOPXOJCMSEK-MRVPVSSYSA-N 1 2 227.333 1.130 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(C2CC2)CC1 ZINC000276565202 386343619 /nfs/dbraw/zinc/34/36/19/386343619.db2.gz JOAWKOILJYQLDW-ONEGZZNKSA-N 1 2 231.299 1.729 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC=CCC2)nc[nH+]1 ZINC000298433823 386344013 /nfs/dbraw/zinc/34/40/13/386344013.db2.gz XENHYNOIZMGRDR-WDEREUQCSA-N 1 2 248.330 1.790 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC=CCC2)[nH+]cn1 ZINC000298433823 386344018 /nfs/dbraw/zinc/34/40/18/386344018.db2.gz XENHYNOIZMGRDR-WDEREUQCSA-N 1 2 248.330 1.790 20 0 BDADLO COc1ncccc1CC[NH2+]Cc1ccn[nH]1 ZINC000289732383 386345960 /nfs/dbraw/zinc/34/59/60/386345960.db2.gz GWLLKNNPXZBWDK-UHFFFAOYSA-N 1 2 232.287 1.146 20 0 BDADLO Cc1ccnc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC000265518992 386346579 /nfs/dbraw/zinc/34/65/79/386346579.db2.gz LUNGYADMDNYOFK-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO CO[C@@H](C)C[N@H+](Cc1ncnn1C)C(C)C ZINC000336686567 386348919 /nfs/dbraw/zinc/34/89/19/386348919.db2.gz WQWFZHBHIXALOW-JTQLQIEISA-N 1 2 226.324 1.060 20 0 BDADLO CO[C@@H](C)C[N@@H+](Cc1ncnn1C)C(C)C ZINC000336686567 386348924 /nfs/dbraw/zinc/34/89/24/386348924.db2.gz WQWFZHBHIXALOW-JTQLQIEISA-N 1 2 226.324 1.060 20 0 BDADLO COC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000226652318 386355043 /nfs/dbraw/zinc/35/50/43/386355043.db2.gz LUOHOKQTRWBENW-CYBMUJFWSA-N 1 2 231.299 1.887 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000276649952 386360155 /nfs/dbraw/zinc/36/01/55/386360155.db2.gz RVFBSURGUMPLNO-NXEZZACHSA-N 1 2 237.303 1.260 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC[C@@H]1O ZINC000276656368 386360285 /nfs/dbraw/zinc/36/02/85/386360285.db2.gz XJUSONXUDMNWCW-SXGMEYSMSA-N 1 2 249.314 1.090 20 0 BDADLO CC[C@H](CNC(=O)Nc1cc[nH+]c(C)c1)OC ZINC000289838637 386361518 /nfs/dbraw/zinc/36/15/18/386361518.db2.gz BQIKAFKNZPHYFZ-LLVKDONJSA-N 1 2 237.303 1.937 20 0 BDADLO CCO[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265749355 386365059 /nfs/dbraw/zinc/36/50/59/386365059.db2.gz IWLQMFVRSTYJSH-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1ccn(C)n1 ZINC000289880946 386368781 /nfs/dbraw/zinc/36/87/81/386368781.db2.gz RWWODJGOSLQOBD-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC(O)CC2)s1 ZINC000347370742 386369279 /nfs/dbraw/zinc/36/92/79/386369279.db2.gz XRTLWUMIKGGDOJ-SSDOTTSWSA-N 1 2 227.333 1.364 20 0 BDADLO CCc1noc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000647933640 386371638 /nfs/dbraw/zinc/37/16/38/386371638.db2.gz WQLVUPWXKQTZFI-MRVPVSSYSA-N 1 2 247.302 1.474 20 0 BDADLO CO[C@@H]1C[NH+](Cc2nc(C)c(C)o2)C[C@H]1OC ZINC000336690034 386371832 /nfs/dbraw/zinc/37/18/32/386371832.db2.gz CKHZIIFTASIWAL-GHMZBOCLSA-N 1 2 240.303 1.137 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1Cc1cccn1C ZINC000276784267 386374213 /nfs/dbraw/zinc/37/42/13/386374213.db2.gz JUOLUGVSUOQFCZ-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1cccn1C ZINC000276784267 386374219 /nfs/dbraw/zinc/37/42/19/386374219.db2.gz JUOLUGVSUOQFCZ-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1c(Cl)cnn1C ZINC000289979013 386379822 /nfs/dbraw/zinc/37/98/22/386379822.db2.gz ZSLFGZCZAHYSPZ-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1c(Cl)cnn1C ZINC000289979013 386379826 /nfs/dbraw/zinc/37/98/26/386379826.db2.gz ZSLFGZCZAHYSPZ-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO C[C@H](C[N@@H+]1CC[C@](C)(F)C1)CS(C)(=O)=O ZINC000347396881 386384202 /nfs/dbraw/zinc/38/42/02/386384202.db2.gz VEFYMSWCIUNFHB-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@H](C[N@H+]1CC[C@](C)(F)C1)CS(C)(=O)=O ZINC000347396881 386384206 /nfs/dbraw/zinc/38/42/06/386384206.db2.gz VEFYMSWCIUNFHB-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@@H]1OC ZINC000276843644 386384346 /nfs/dbraw/zinc/38/43/46/386384346.db2.gz HYSMYGHPAAVSCB-PHIMTYICSA-N 1 2 242.344 1.297 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@@H]1OC ZINC000276843644 386384352 /nfs/dbraw/zinc/38/43/52/386384352.db2.gz HYSMYGHPAAVSCB-PHIMTYICSA-N 1 2 242.344 1.297 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2CC2(C)C)nc[nH+]1 ZINC000298325942 386326302 /nfs/dbraw/zinc/32/63/02/386326302.db2.gz RPCYLDUETIZMQD-BDAKNGLRSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2CC2(C)C)[nH+]cn1 ZINC000298325942 386326308 /nfs/dbraw/zinc/32/63/08/386326308.db2.gz RPCYLDUETIZMQD-BDAKNGLRSA-N 1 2 236.319 1.480 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H](O)CC(C)(C)C)c[nH+]1 ZINC000265319979 386327958 /nfs/dbraw/zinc/32/79/58/386327958.db2.gz KQWBXFWHIVDBLH-VIFPVBQESA-N 1 2 239.319 1.245 20 0 BDADLO FC1(F)COCCN(CCCn2cc[nH+]c2)C1 ZINC000289563071 386329222 /nfs/dbraw/zinc/32/92/22/386329222.db2.gz YAGAUNAMWGLIIR-UHFFFAOYSA-N 1 2 245.273 1.241 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)C(C)(C)C ZINC000265349933 386330620 /nfs/dbraw/zinc/33/06/20/386330620.db2.gz YZFTXRKFZOINDI-SNVBAGLBSA-N 1 2 223.320 1.682 20 0 BDADLO C[C@@H](O)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276522685 386338037 /nfs/dbraw/zinc/33/80/37/386338037.db2.gz CUXOBGMXLWSXCW-VMZHVLLKSA-N 1 2 249.314 1.042 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cccnc1)c1[nH]cc[nH+]1 ZINC000276522054 386339143 /nfs/dbraw/zinc/33/91/43/386339143.db2.gz CFRGDUSLNQTYOD-LLVKDONJSA-N 1 2 244.298 1.932 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)CCOCC1CC1 ZINC000290563549 386452582 /nfs/dbraw/zinc/45/25/82/386452582.db2.gz XXIZLYNKUYXWNS-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)CCOCC1CC1 ZINC000290563549 386452590 /nfs/dbraw/zinc/45/25/90/386452590.db2.gz XXIZLYNKUYXWNS-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)CCOCC1CC1 ZINC000290563549 386452596 /nfs/dbraw/zinc/45/25/96/386452596.db2.gz XXIZLYNKUYXWNS-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)CCOCC1CC1 ZINC000290563549 386452600 /nfs/dbraw/zinc/45/26/00/386452600.db2.gz XXIZLYNKUYXWNS-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO CCCCc1noc(C[N@H+](CC)CCOC)n1 ZINC000336716576 386442594 /nfs/dbraw/zinc/44/25/94/386442594.db2.gz VTVXVAJUPLLBJS-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCCc1noc(C[N@@H+](CC)CCOC)n1 ZINC000336716576 386442598 /nfs/dbraw/zinc/44/25/98/386442598.db2.gz VTVXVAJUPLLBJS-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO Cn1ncc(C[N@H+](C)CCOc2ccccc2)n1 ZINC000290046122 386388033 /nfs/dbraw/zinc/38/80/33/386388033.db2.gz RIAZPDRLGHCWND-UHFFFAOYSA-N 1 2 246.314 1.326 20 0 BDADLO Cn1ncc(C[N@@H+](C)CCOc2ccccc2)n1 ZINC000290046122 386388040 /nfs/dbraw/zinc/38/80/40/386388040.db2.gz RIAZPDRLGHCWND-UHFFFAOYSA-N 1 2 246.314 1.326 20 0 BDADLO CCOC1CC([N@H+](C)Cc2noc(CC)n2)C1 ZINC000347407755 386389473 /nfs/dbraw/zinc/38/94/73/386389473.db2.gz FTMOCNXDYMCEPH-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2noc(CC)n2)C1 ZINC000347407755 386389476 /nfs/dbraw/zinc/38/94/76/386389476.db2.gz FTMOCNXDYMCEPH-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nccn3C)C2)c1 ZINC000290088701 386392563 /nfs/dbraw/zinc/39/25/63/386392563.db2.gz ZKYYMGBWDVJOCE-GFCCVEGCSA-N 1 2 245.330 1.372 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3nccn3C)C2)c1 ZINC000290088701 386392569 /nfs/dbraw/zinc/39/25/69/386392569.db2.gz ZKYYMGBWDVJOCE-GFCCVEGCSA-N 1 2 245.330 1.372 20 0 BDADLO C[C@H](C[NH+](C)C)N=c1nc(C(C)(C)C)o[nH]1 ZINC000336704107 386392766 /nfs/dbraw/zinc/39/27/66/386392766.db2.gz OWDPOIYDGSWACO-MRVPVSSYSA-N 1 2 226.324 1.151 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000347358374 386395143 /nfs/dbraw/zinc/39/51/43/386395143.db2.gz SUNQLTKJJAIEBQ-NSHDSACASA-N 1 2 227.235 1.279 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000347358374 386395147 /nfs/dbraw/zinc/39/51/47/386395147.db2.gz SUNQLTKJJAIEBQ-NSHDSACASA-N 1 2 227.235 1.279 20 0 BDADLO c1cn(C2CC[NH+](Cc3cnns3)CC2)cn1 ZINC000290122441 386396800 /nfs/dbraw/zinc/39/68/00/386396800.db2.gz UHRMRERXJUPKIB-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000290149334 386397930 /nfs/dbraw/zinc/39/79/30/386397930.db2.gz NDPKRVURRZHVSH-ZJUUUORDSA-N 1 2 237.303 1.935 20 0 BDADLO Cc1nc(C[N@H+](C)CCn2cncn2)cs1 ZINC000336700714 386400230 /nfs/dbraw/zinc/40/02/30/386400230.db2.gz LATIFODWZPQYLV-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO Cc1nc(C[N@@H+](C)CCn2cncn2)cs1 ZINC000336700714 386400232 /nfs/dbraw/zinc/40/02/32/386400232.db2.gz LATIFODWZPQYLV-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(C)nn1 ZINC000414426949 386400522 /nfs/dbraw/zinc/40/05/22/386400522.db2.gz DIDMMGQYDMBXEU-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C)nn1 ZINC000414426949 386400527 /nfs/dbraw/zinc/40/05/27/386400527.db2.gz DIDMMGQYDMBXEU-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO Cn1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)nn1 ZINC000336701677 386403869 /nfs/dbraw/zinc/40/38/69/386403869.db2.gz VTFZONAICHFJIU-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H](COC)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453318403 386404530 /nfs/dbraw/zinc/40/45/30/386404530.db2.gz LQMUEIGHVLRQDC-RYUDHWBXSA-N 1 2 245.363 1.977 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000290204627 386406377 /nfs/dbraw/zinc/40/63/77/386406377.db2.gz UJKKPYHLVWFCOZ-ONGXEEELSA-N 1 2 238.287 1.055 20 0 BDADLO CCOC(=O)C[N@@H+](C)C1CC(OCC)C1 ZINC000347455355 386409861 /nfs/dbraw/zinc/40/98/61/386409861.db2.gz NIQKYCIMXSJUMY-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@H+](C)C1CC(OCC)C1 ZINC000347455355 386409866 /nfs/dbraw/zinc/40/98/66/386409866.db2.gz NIQKYCIMXSJUMY-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC1CC([N@H+](C)Cc2ncccn2)C1 ZINC000347455685 386411981 /nfs/dbraw/zinc/41/19/81/386411981.db2.gz RXIOYDJKRRJOTA-UHFFFAOYSA-N 1 2 221.304 1.476 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2ncccn2)C1 ZINC000347455685 386411987 /nfs/dbraw/zinc/41/19/87/386411987.db2.gz RXIOYDJKRRJOTA-UHFFFAOYSA-N 1 2 221.304 1.476 20 0 BDADLO CCN(CCCO)c1cc(C)[nH+]c(C2CC2)n1 ZINC000266214869 386414420 /nfs/dbraw/zinc/41/44/20/386414420.db2.gz OFLKMPCIHUPVML-UHFFFAOYSA-N 1 2 235.331 1.871 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)nn1 ZINC000414429667 386421386 /nfs/dbraw/zinc/42/13/86/386421386.db2.gz CRFAHHRZVSKZHX-BXUZGUMPSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)nn1 ZINC000414429667 386421393 /nfs/dbraw/zinc/42/13/93/386421393.db2.gz CRFAHHRZVSKZHX-BXUZGUMPSA-N 1 2 247.342 1.784 20 0 BDADLO CC[C@H](F)C[N@H+](CC(=O)OC)C1CCOCC1 ZINC000519376163 386421910 /nfs/dbraw/zinc/42/19/10/386421910.db2.gz DEPTWNCBWWNZHZ-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@H](F)C[N@@H+](CC(=O)OC)C1CCOCC1 ZINC000519376163 386421921 /nfs/dbraw/zinc/42/19/21/386421921.db2.gz DEPTWNCBWWNZHZ-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)nn1 ZINC000414429670 386422873 /nfs/dbraw/zinc/42/28/73/386422873.db2.gz CRFAHHRZVSKZHX-SMDDNHRTSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)nn1 ZINC000414429670 386422879 /nfs/dbraw/zinc/42/28/79/386422879.db2.gz CRFAHHRZVSKZHX-SMDDNHRTSA-N 1 2 247.342 1.784 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/C1CC1 ZINC000266323953 386425432 /nfs/dbraw/zinc/42/54/32/386425432.db2.gz ITOIJAGVFIEYHZ-AATRIKPKSA-N 1 2 219.288 1.345 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)no1 ZINC000134402122 386427519 /nfs/dbraw/zinc/42/75/19/386427519.db2.gz YYODSSKHMPUHQU-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](CO)C(C)(C)C)no1 ZINC000134402122 386427524 /nfs/dbraw/zinc/42/75/24/386427524.db2.gz YYODSSKHMPUHQU-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000290392984 386428282 /nfs/dbraw/zinc/42/82/82/386428282.db2.gz JQAFLFAITGHNQN-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000290392984 386428286 /nfs/dbraw/zinc/42/82/86/386428286.db2.gz JQAFLFAITGHNQN-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000290392984 386428289 /nfs/dbraw/zinc/42/82/89/386428289.db2.gz JQAFLFAITGHNQN-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000290392984 386428291 /nfs/dbraw/zinc/42/82/91/386428291.db2.gz JQAFLFAITGHNQN-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299241683 386428694 /nfs/dbraw/zinc/42/86/94/386428694.db2.gz BNJKIBXHAYOHJV-JTQLQIEISA-N 1 2 237.303 1.147 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(CC3CC3)no2)C1 ZINC000417267407 386466975 /nfs/dbraw/zinc/46/69/75/386466975.db2.gz HGYOWPFHUPBWQM-SNVBAGLBSA-N 1 2 237.303 1.415 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(CC3CC3)no2)C1 ZINC000417267407 386466983 /nfs/dbraw/zinc/46/69/83/386466983.db2.gz HGYOWPFHUPBWQM-SNVBAGLBSA-N 1 2 237.303 1.415 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339572458 386470172 /nfs/dbraw/zinc/47/01/72/386470172.db2.gz VVEGLZVWQGQWPT-MNOVXSKESA-N 1 2 222.336 1.774 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339572458 386470176 /nfs/dbraw/zinc/47/01/76/386470176.db2.gz VVEGLZVWQGQWPT-MNOVXSKESA-N 1 2 222.336 1.774 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000339574234 386473756 /nfs/dbraw/zinc/47/37/56/386473756.db2.gz OMWFJSSCAKGRLX-GBIKHYSHSA-N 1 2 240.347 1.056 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000339574234 386473763 /nfs/dbraw/zinc/47/37/63/386473763.db2.gz OMWFJSSCAKGRLX-GBIKHYSHSA-N 1 2 240.347 1.056 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000299631742 386474790 /nfs/dbraw/zinc/47/47/90/386474790.db2.gz OMMXYCUJWTYNCN-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000299631742 386474793 /nfs/dbraw/zinc/47/47/93/386474793.db2.gz OMMXYCUJWTYNCN-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000299625018 386475478 /nfs/dbraw/zinc/47/54/78/386475478.db2.gz FNVVSODOIPCVHB-MNOVXSKESA-N 1 2 223.320 1.824 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339564544 386477231 /nfs/dbraw/zinc/47/72/31/386477231.db2.gz QJNVPXUGPVHDBZ-IUCAKERBSA-N 1 2 209.293 1.862 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339564544 386477235 /nfs/dbraw/zinc/47/72/35/386477235.db2.gz QJNVPXUGPVHDBZ-IUCAKERBSA-N 1 2 209.293 1.862 20 0 BDADLO CN(Cc1ccccn1)C(=O)CCn1cc[nH+]c1 ZINC000299697830 386481116 /nfs/dbraw/zinc/48/11/16/386481116.db2.gz YZOPIVAVRRRRHT-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000290919627 386486605 /nfs/dbraw/zinc/48/66/05/386486605.db2.gz KFXSNYUIEPIWSJ-SNVBAGLBSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)co1 ZINC000187189680 386488957 /nfs/dbraw/zinc/48/89/57/386488957.db2.gz SACVWMMJARBTNP-JTQLQIEISA-N 1 2 247.298 1.851 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H]1CCC=CO1 ZINC000278136666 386492836 /nfs/dbraw/zinc/49/28/36/386492836.db2.gz AEMDMEKDYOCKEE-LLVKDONJSA-N 1 2 208.261 1.799 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H]1CCC=CO1 ZINC000278136666 386492843 /nfs/dbraw/zinc/49/28/43/386492843.db2.gz AEMDMEKDYOCKEE-LLVKDONJSA-N 1 2 208.261 1.799 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3ncccc3C2)n1C ZINC000366447102 386493497 /nfs/dbraw/zinc/49/34/97/386493497.db2.gz ZAPFKRLKAKJGAN-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3ncccc3C2)n1C ZINC000366447102 386493502 /nfs/dbraw/zinc/49/35/02/386493502.db2.gz ZAPFKRLKAKJGAN-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO COc1cc(C)[nH+]c(Cn2ncccc2=O)c1 ZINC000278165171 386495701 /nfs/dbraw/zinc/49/57/01/386495701.db2.gz AKKGIBPKLMJIOT-UHFFFAOYSA-N 1 2 231.255 1.004 20 0 BDADLO CCCCN(CC(N)=O)c1[nH]c2ccccc2[nH+]1 ZINC000290992404 386495906 /nfs/dbraw/zinc/49/59/06/386495906.db2.gz UEBXEUPLZAJGOY-UHFFFAOYSA-N 1 2 246.314 1.655 20 0 BDADLO C[C@H](CNC(=O)c1cc[nH]c1)Cn1cc[nH+]c1 ZINC000267139929 386499900 /nfs/dbraw/zinc/49/99/00/386499900.db2.gz QFFWRHLKRHVYGS-SNVBAGLBSA-N 1 2 232.287 1.277 20 0 BDADLO CCCCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278205107 386500994 /nfs/dbraw/zinc/50/09/94/386500994.db2.gz FHNKEQAKYRXIIC-UHFFFAOYSA-N 1 2 248.334 1.938 20 0 BDADLO C[C@H]1CC[C@](CO)([N@H+](C)Cc2csnn2)C1 ZINC000647971527 386505591 /nfs/dbraw/zinc/50/55/91/386505591.db2.gz MOGSFNSZYRTJSX-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2csnn2)C1 ZINC000647971527 386505597 /nfs/dbraw/zinc/50/55/97/386505597.db2.gz MOGSFNSZYRTJSX-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1ccc(CCC[N@H+](C)C2CC([NH3+])C2)c[nH+]1 ZINC000414783629 386507992 /nfs/dbraw/zinc/50/79/92/386507992.db2.gz ZPCMPNRGCAFPTC-UHFFFAOYSA-N 1 2 233.359 1.744 20 0 BDADLO Cc1[nH]ncc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000267213635 386512529 /nfs/dbraw/zinc/51/25/29/386512529.db2.gz HMTPZBZWMQKSFJ-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447200 386515731 /nfs/dbraw/zinc/51/57/31/386515731.db2.gz ABZQENZPWNNTMM-GHMZBOCLSA-N 1 2 222.336 1.277 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@H](C)C[C@@H]1C ZINC000519644971 386522127 /nfs/dbraw/zinc/52/21/27/386522127.db2.gz JVGIBHPHGONUFJ-BBBLOLIVSA-N 1 2 221.304 1.598 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@H](C)C[C@@H]1C ZINC000519644971 386522133 /nfs/dbraw/zinc/52/21/33/386522133.db2.gz JVGIBHPHGONUFJ-BBBLOLIVSA-N 1 2 221.304 1.598 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000291186557 386522462 /nfs/dbraw/zinc/52/24/62/386522462.db2.gz ILLCONHYOJRHGV-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000291186557 386522467 /nfs/dbraw/zinc/52/24/67/386522467.db2.gz ILLCONHYOJRHGV-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCn2nncc2C1 ZINC000519645685 386523191 /nfs/dbraw/zinc/52/31/91/386523191.db2.gz KJFJMNOWGQNTFP-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCn2nncc2C1 ZINC000519645685 386523193 /nfs/dbraw/zinc/52/31/93/386523193.db2.gz KJFJMNOWGQNTFP-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC(C)(C)[C@H]2C)cn1 ZINC000336721534 386457623 /nfs/dbraw/zinc/45/76/23/386457623.db2.gz ZJUWLDSKTANLME-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC(C)(C)[C@H]2C)cn1 ZINC000336721534 386457629 /nfs/dbraw/zinc/45/76/29/386457629.db2.gz ZJUWLDSKTANLME-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCS1 ZINC000266652111 386457585 /nfs/dbraw/zinc/45/75/85/386457585.db2.gz ZSBFCPZSJJYNHP-UWVGGRQHSA-N 1 2 239.344 1.283 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCS1 ZINC000266652117 386457783 /nfs/dbraw/zinc/45/77/83/386457783.db2.gz ZSBFCPZSJJYNHP-ZJUUUORDSA-N 1 2 239.344 1.283 20 0 BDADLO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccn[nH]1 ZINC000134771746 386459122 /nfs/dbraw/zinc/45/91/22/386459122.db2.gz CVIRTHZQHPUSJU-UHFFFAOYSA-N 1 2 240.307 1.024 20 0 BDADLO CC(C)C[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278450497 386528384 /nfs/dbraw/zinc/52/83/84/386528384.db2.gz RPIHEVYHLZIPTL-MRVPVSSYSA-N 1 2 248.334 1.792 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277777362 386465490 /nfs/dbraw/zinc/46/54/90/386465490.db2.gz WMECHQFTRFODCK-XXFAHNHDSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277777362 386465496 /nfs/dbraw/zinc/46/54/96/386465496.db2.gz WMECHQFTRFODCK-XXFAHNHDSA-N 1 2 241.360 1.061 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1CC[C@H](OC)C1 ZINC000267719589 386575801 /nfs/dbraw/zinc/57/58/01/386575801.db2.gz YJRARJCPEHIYBF-VIFPVBQESA-N 1 2 239.271 1.287 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1CC[C@H](OC)C1 ZINC000267719589 386575807 /nfs/dbraw/zinc/57/58/07/386575807.db2.gz YJRARJCPEHIYBF-VIFPVBQESA-N 1 2 239.271 1.287 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1cccc(F)n1 ZINC000062329071 386579921 /nfs/dbraw/zinc/57/99/21/386579921.db2.gz RFFYMBWSCRQTMM-UHFFFAOYSA-N 1 2 220.251 1.591 20 0 BDADLO CCOCC[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000336757312 386583708 /nfs/dbraw/zinc/58/37/08/386583708.db2.gz JDKHHDSZGHQZIQ-VHSXEESVSA-N 1 2 217.309 1.200 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)no1 ZINC000335419379 386589465 /nfs/dbraw/zinc/58/94/65/386589465.db2.gz ZSPJBWSETVCPFI-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)no1 ZINC000335419379 386589469 /nfs/dbraw/zinc/58/94/69/386589469.db2.gz ZSPJBWSETVCPFI-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000648051388 386589791 /nfs/dbraw/zinc/58/97/91/386589791.db2.gz ZPMAGSPLDJFCAH-LLVKDONJSA-N 1 2 239.344 1.118 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000648051388 386589795 /nfs/dbraw/zinc/58/97/95/386589795.db2.gz ZPMAGSPLDJFCAH-LLVKDONJSA-N 1 2 239.344 1.118 20 0 BDADLO COc1ncccc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000278837443 386594039 /nfs/dbraw/zinc/59/40/39/386594039.db2.gz KFUOXIDGKLDMBX-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000291307664 386533222 /nfs/dbraw/zinc/53/32/22/386533222.db2.gz RHWYPCFETQXBFK-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000408372205 386535556 /nfs/dbraw/zinc/53/55/56/386535556.db2.gz BOIOJSRKWUHXJH-LBPRGKRZSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000408372205 386535558 /nfs/dbraw/zinc/53/55/58/386535558.db2.gz BOIOJSRKWUHXJH-LBPRGKRZSA-N 1 2 238.335 1.275 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)C[C@H](C)O ZINC000291369540 386536315 /nfs/dbraw/zinc/53/63/15/386536315.db2.gz ZSTCMPMMXMQIGS-WCBMZHEXSA-N 1 2 243.328 1.275 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)C[C@H](C)O ZINC000291369540 386536319 /nfs/dbraw/zinc/53/63/19/386536319.db2.gz ZSTCMPMMXMQIGS-WCBMZHEXSA-N 1 2 243.328 1.275 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000278516507 386538743 /nfs/dbraw/zinc/53/87/43/386538743.db2.gz BZONSHSOMAUMHJ-ONGXEEELSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000278516507 386538748 /nfs/dbraw/zinc/53/87/48/386538748.db2.gz BZONSHSOMAUMHJ-ONGXEEELSA-N 1 2 235.331 1.956 20 0 BDADLO CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000278528658 386541812 /nfs/dbraw/zinc/54/18/12/386541812.db2.gz DMPZJJDAXCCOBK-UHFFFAOYSA-N 1 2 223.320 1.957 20 0 BDADLO CCCCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000278528658 386541818 /nfs/dbraw/zinc/54/18/18/386541818.db2.gz DMPZJJDAXCCOBK-UHFFFAOYSA-N 1 2 223.320 1.957 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000267430154 386543130 /nfs/dbraw/zinc/54/31/30/386543130.db2.gz WKCOYNYDUJZBKY-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000267430154 386543132 /nfs/dbraw/zinc/54/31/32/386543132.db2.gz WKCOYNYDUJZBKY-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)CC2(CCC2)O1 ZINC000335463709 386547197 /nfs/dbraw/zinc/54/71/97/386547197.db2.gz NNZJSTVXNRBDKS-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC2(CCC2)O1 ZINC000335463709 386547202 /nfs/dbraw/zinc/54/72/02/386547202.db2.gz NNZJSTVXNRBDKS-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)[nH]1 ZINC000336906479 386547406 /nfs/dbraw/zinc/54/74/06/386547406.db2.gz XULUTLKEEIBACK-QWRGUYRKSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)[nH]1 ZINC000336906479 386547412 /nfs/dbraw/zinc/54/74/12/386547412.db2.gz XULUTLKEEIBACK-QWRGUYRKSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1cn2cc(NC(=O)[C@@H](O)C(C)C)ccc2[nH+]1 ZINC000291459678 386548560 /nfs/dbraw/zinc/54/85/60/386548560.db2.gz HZCUHRYIJIHWQR-LBPRGKRZSA-N 1 2 247.298 1.598 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1CC2(CCC2)C1 ZINC000335465655 386551048 /nfs/dbraw/zinc/55/10/48/386551048.db2.gz OXDFXIPSSJACAU-UHFFFAOYSA-N 1 2 247.342 1.959 20 0 BDADLO CCc1ncc(C[N@@H+]2CCC[C@@H]2CF)cn1 ZINC000414454403 386554285 /nfs/dbraw/zinc/55/42/85/386554285.db2.gz FUUVEXAYZXOLIV-LLVKDONJSA-N 1 2 223.295 1.973 20 0 BDADLO CCc1ncc(C[N@H+]2CCC[C@@H]2CF)cn1 ZINC000414454403 386554292 /nfs/dbraw/zinc/55/42/92/386554292.db2.gz FUUVEXAYZXOLIV-LLVKDONJSA-N 1 2 223.295 1.973 20 0 BDADLO Cc1ccccc1C[NH2+]CC(F)(F)CO ZINC000183884052 386558912 /nfs/dbraw/zinc/55/89/12/386558912.db2.gz KOXMZMQQTPLSNU-UHFFFAOYSA-N 1 2 215.243 1.712 20 0 BDADLO CN(Cc1ccon1)Cc1c[nH+]cn1C ZINC000267600839 386559922 /nfs/dbraw/zinc/55/99/22/386559922.db2.gz LMBMFFLNCYZORL-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO CCCc1nc(C)c(CNCc2[nH]cc[nH+]2)o1 ZINC000291638483 386561330 /nfs/dbraw/zinc/56/13/30/386561330.db2.gz BHSHOXGOIAHBKS-UHFFFAOYSA-N 1 2 234.303 1.948 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2ncc[nH]2)o1 ZINC000291638483 386561336 /nfs/dbraw/zinc/56/13/36/386561336.db2.gz BHSHOXGOIAHBKS-UHFFFAOYSA-N 1 2 234.303 1.948 20 0 BDADLO CO[C@H]1CC[N@H+](CC(=O)OCc2ccccc2)C1 ZINC000267620907 386562102 /nfs/dbraw/zinc/56/21/02/386562102.db2.gz DLNPCOARIQNMFG-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO CO[C@H]1CC[N@@H+](CC(=O)OCc2ccccc2)C1 ZINC000267620907 386562107 /nfs/dbraw/zinc/56/21/07/386562107.db2.gz DLNPCOARIQNMFG-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000187631704 386567378 /nfs/dbraw/zinc/56/73/78/386567378.db2.gz DWNWZDMKVDACMU-GFCCVEGCSA-N 1 2 239.319 1.363 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000187631704 386567381 /nfs/dbraw/zinc/56/73/81/386567381.db2.gz DWNWZDMKVDACMU-GFCCVEGCSA-N 1 2 239.319 1.363 20 0 BDADLO c1[nH]c(CN2CCO[C@]3(CCSC3)C2)c[nH+]1 ZINC000335409684 386570422 /nfs/dbraw/zinc/57/04/22/386570422.db2.gz UUQLBIHTKCTANP-LLVKDONJSA-N 1 2 239.344 1.118 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353191344 386624457 /nfs/dbraw/zinc/62/44/57/386624457.db2.gz JUIONTNOARZQFW-JGVFFNPUSA-N 1 2 225.304 1.440 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353191344 386624464 /nfs/dbraw/zinc/62/44/64/386624464.db2.gz JUIONTNOARZQFW-JGVFFNPUSA-N 1 2 225.304 1.440 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000268172561 386625703 /nfs/dbraw/zinc/62/57/03/386625703.db2.gz YECYXUZYBWZMNY-TXEJJXNPSA-N 1 2 233.315 1.532 20 0 BDADLO CC(C)CC[S@@](=O)Cc1c[nH+]cn1C ZINC000268149712 386626574 /nfs/dbraw/zinc/62/65/74/386626574.db2.gz FCWSKSMQDMONNE-CQSZACIVSA-N 1 2 214.334 1.715 20 0 BDADLO CCN(C[C@H](C)OC)c1[nH+]cnc2c1cnn2C ZINC000292187508 386630013 /nfs/dbraw/zinc/63/00/13/386630013.db2.gz BMQOGSGOEGOXIB-VIFPVBQESA-N 1 2 249.318 1.225 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000279108952 386632730 /nfs/dbraw/zinc/63/27/30/386632730.db2.gz BRWDWPMMKVWINQ-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO CCC(CC)[S@@](=O)Cc1c[nH+]cn1C ZINC000268236581 386633940 /nfs/dbraw/zinc/63/39/40/386633940.db2.gz WIEAUILRFCONBO-AWEZNQCLSA-N 1 2 214.334 1.857 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000279108947 386634241 /nfs/dbraw/zinc/63/42/41/386634241.db2.gz BRWDWPMMKVWINQ-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000292244277 386637945 /nfs/dbraw/zinc/63/79/45/386637945.db2.gz JRCWSQXFKOOZIP-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C(=O)OC ZINC000336647134 386644517 /nfs/dbraw/zinc/64/45/17/386644517.db2.gz FHCJGFZRNIAHMG-ZYHUDNBSSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529525483 386645653 /nfs/dbraw/zinc/64/56/53/386645653.db2.gz JUZFYLXDILJWDZ-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529525483 386645660 /nfs/dbraw/zinc/64/56/60/386645660.db2.gz JUZFYLXDILJWDZ-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO O=C(Nc1cc(F)ccc1O)[C@@H]1CSC[NH2+]1 ZINC000335513144 386649540 /nfs/dbraw/zinc/64/95/40/386649540.db2.gz WAMZGCPLKNFCMG-QMMMGPOBSA-N 1 2 242.275 1.132 20 0 BDADLO Cc1nc(C(=O)NCCCn2cc[nH+]c2)c(C)o1 ZINC000292327139 386650459 /nfs/dbraw/zinc/65/04/59/386650459.db2.gz NAVBOROAGHZPCO-UHFFFAOYSA-N 1 2 248.286 1.308 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C(=O)OC ZINC000336759161 386652034 /nfs/dbraw/zinc/65/20/34/386652034.db2.gz ITEKKVVAETWFIK-MXWKQRLJSA-N 1 2 229.320 1.199 20 0 BDADLO CCC1CCC([NH2+]C[C@H](C)O)(C(=O)OC)CC1 ZINC000337182775 386654272 /nfs/dbraw/zinc/65/42/72/386654272.db2.gz NFFVFBZLWUSBBC-ZBOXLXRLSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[C@H]1C ZINC000278901110 386603177 /nfs/dbraw/zinc/60/31/77/386603177.db2.gz PRVYWAKYNYDSEL-APPZFPTMSA-N 1 2 207.277 1.033 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc[nH+]1 ZINC000337086739 386605509 /nfs/dbraw/zinc/60/55/09/386605509.db2.gz IGDASKQCBKEVMD-MKPLZMMCSA-N 1 2 234.299 1.564 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000328930586 386655044 /nfs/dbraw/zinc/65/50/44/386655044.db2.gz HNSXDWJOBBORCR-DBIOUOCHSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000328930586 386655052 /nfs/dbraw/zinc/65/50/52/386655052.db2.gz HNSXDWJOBBORCR-DBIOUOCHSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000328930586 386655058 /nfs/dbraw/zinc/65/50/58/386655058.db2.gz HNSXDWJOBBORCR-DBIOUOCHSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000328930586 386655066 /nfs/dbraw/zinc/65/50/66/386655066.db2.gz HNSXDWJOBBORCR-DBIOUOCHSA-N 1 2 236.319 1.223 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772086 386611483 /nfs/dbraw/zinc/61/14/83/386611483.db2.gz MPRJESANTVBPJU-AWEZNQCLSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772086 386611490 /nfs/dbraw/zinc/61/14/90/386611490.db2.gz MPRJESANTVBPJU-AWEZNQCLSA-N 1 2 249.358 1.811 20 0 BDADLO COC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000279246218 386655220 /nfs/dbraw/zinc/65/52/20/386655220.db2.gz SKUWISRBTHJHCH-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nn(C)cc1Cl ZINC000335494532 386616396 /nfs/dbraw/zinc/61/63/96/386616396.db2.gz KMNKOSQRPJGTNH-YUMQZZPRSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nn(C)cc1Cl ZINC000335494532 386616403 /nfs/dbraw/zinc/61/64/03/386616403.db2.gz KMNKOSQRPJGTNH-YUMQZZPRSA-N 1 2 229.711 1.029 20 0 BDADLO O=C([C@@H]1CCCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329370602 386659444 /nfs/dbraw/zinc/65/94/44/386659444.db2.gz LWHRUBLANPYTIV-QWRGUYRKSA-N 1 2 249.314 1.642 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1Cc2ccccc2C1 ZINC000279305171 386660517 /nfs/dbraw/zinc/66/05/17/386660517.db2.gz ADRPAVRHPCHZIU-UHFFFAOYSA-N 1 2 241.294 1.885 20 0 BDADLO O=C1C[N@H+](Cc2ccc3c(c2)CCCC3)CCN1 ZINC000292425602 386668595 /nfs/dbraw/zinc/66/85/95/386668595.db2.gz CKMAHPWCNVQRMR-UHFFFAOYSA-N 1 2 244.338 1.497 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3c(c2)CCCC3)CCN1 ZINC000292425602 386668600 /nfs/dbraw/zinc/66/86/00/386668600.db2.gz CKMAHPWCNVQRMR-UHFFFAOYSA-N 1 2 244.338 1.497 20 0 BDADLO C[N@H+](CCCS(C)(=O)=O)Cc1ccoc1 ZINC000330363632 386675220 /nfs/dbraw/zinc/67/52/20/386675220.db2.gz MPGCJBFYTWLUPE-UHFFFAOYSA-N 1 2 231.317 1.146 20 0 BDADLO C[N@@H+](CCCS(C)(=O)=O)Cc1ccoc1 ZINC000330363632 386675222 /nfs/dbraw/zinc/67/52/22/386675222.db2.gz MPGCJBFYTWLUPE-UHFFFAOYSA-N 1 2 231.317 1.146 20 0 BDADLO CC[C@@H](NC(=O)c1cc(C)n(C)n1)c1[nH]cc[nH+]1 ZINC000301832537 386679443 /nfs/dbraw/zinc/67/94/43/386679443.db2.gz JCKZJTZGLBWSKA-SECBINFHSA-N 1 2 247.302 1.333 20 0 BDADLO Cc1cc(C[N@H+](CCO)Cc2cccnc2)on1 ZINC000268684448 386681775 /nfs/dbraw/zinc/68/17/75/386681775.db2.gz NGGJFFGVTRXQSG-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1cc(C[N@@H+](CCO)Cc2cccnc2)on1 ZINC000268684448 386681783 /nfs/dbraw/zinc/68/17/83/386681783.db2.gz NGGJFFGVTRXQSG-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000644994801 386658328 /nfs/dbraw/zinc/65/83/28/386658328.db2.gz QWPVVQSBRNIJMU-BDAKNGLRSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000644994801 386658336 /nfs/dbraw/zinc/65/83/36/386658336.db2.gz QWPVVQSBRNIJMU-BDAKNGLRSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccon1 ZINC000336759383 386658511 /nfs/dbraw/zinc/65/85/11/386658511.db2.gz LHQGNGNLZKBEOV-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO CCCCc1noc(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000050115497 386685610 /nfs/dbraw/zinc/68/56/10/386685610.db2.gz VQAULBSXRKHQSW-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000050115497 386685616 /nfs/dbraw/zinc/68/56/16/386685616.db2.gz VQAULBSXRKHQSW-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO Cc1c(C[NH2+][C@@H](C)c2ncc[nH]2)cnn1C ZINC000124772474 386690794 /nfs/dbraw/zinc/69/07/94/386690794.db2.gz GBYMHUWUFFDAPN-QMMMGPOBSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cccn2C)[nH]1 ZINC000292599530 386695902 /nfs/dbraw/zinc/69/59/02/386695902.db2.gz VTXLSRVGZMAAQL-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cccn2C)[nH]1 ZINC000292599530 386695908 /nfs/dbraw/zinc/69/59/08/386695908.db2.gz VTXLSRVGZMAAQL-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO CC[C@@H](NC(=O)c1cc(C)ncn1)c1[nH]cc[nH+]1 ZINC000526945348 386707691 /nfs/dbraw/zinc/70/76/91/386707691.db2.gz KFFNHSRPVYHWDE-SECBINFHSA-N 1 2 245.286 1.389 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000292855117 386734559 /nfs/dbraw/zinc/73/45/59/386734559.db2.gz GMQGNFRRXCNPEX-VIFPVBQESA-N 1 2 245.754 1.522 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000292855117 386734565 /nfs/dbraw/zinc/73/45/65/386734565.db2.gz GMQGNFRRXCNPEX-VIFPVBQESA-N 1 2 245.754 1.522 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)[C@H]1CCCOC1 ZINC000334145885 386740659 /nfs/dbraw/zinc/74/06/59/386740659.db2.gz BAFSRVOLVXNTKQ-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)[C@H]1CCCOC1 ZINC000334145885 386740663 /nfs/dbraw/zinc/74/06/63/386740663.db2.gz BAFSRVOLVXNTKQ-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000292840835 386736888 /nfs/dbraw/zinc/73/68/88/386736888.db2.gz SBYWYMFIZJWRFO-JTQLQIEISA-N 1 2 243.328 1.146 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000292840835 386736895 /nfs/dbraw/zinc/73/68/95/386736895.db2.gz SBYWYMFIZJWRFO-JTQLQIEISA-N 1 2 243.328 1.146 20 0 BDADLO CCC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000526971557 386714968 /nfs/dbraw/zinc/71/49/68/386714968.db2.gz NUEILLCAGRXGPK-SNVBAGLBSA-N 1 2 201.285 1.989 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000526971557 386714974 /nfs/dbraw/zinc/71/49/74/386714974.db2.gz NUEILLCAGRXGPK-SNVBAGLBSA-N 1 2 201.285 1.989 20 0 BDADLO Cc1cc(NC[C@H]2CCc3cccnc32)nc[nH+]1 ZINC000623283969 386728925 /nfs/dbraw/zinc/72/89/25/386728925.db2.gz SRYHTKBRVACUHH-GFCCVEGCSA-N 1 2 240.310 1.744 20 0 BDADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000292912683 386748863 /nfs/dbraw/zinc/74/88/63/386748863.db2.gz HODCZWLSOMYEQJ-ZANVPECISA-N 1 2 244.298 1.427 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334151257 386749579 /nfs/dbraw/zinc/74/95/79/386749579.db2.gz QFWWVHDNFPLYGS-BDAKNGLRSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334151257 386749587 /nfs/dbraw/zinc/74/95/87/386749587.db2.gz QFWWVHDNFPLYGS-BDAKNGLRSA-N 1 2 221.304 1.429 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cnccn2)n1 ZINC000348526023 386751504 /nfs/dbraw/zinc/75/15/04/386751504.db2.gz REDAKTIBEAUDQQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cnccn2)n1 ZINC000348526023 386751510 /nfs/dbraw/zinc/75/15/10/386751510.db2.gz REDAKTIBEAUDQQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000292933489 386752178 /nfs/dbraw/zinc/75/21/78/386752178.db2.gz HFEIPJGGNIWVMI-HLTSFMKQSA-N 1 2 239.344 1.810 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000292933489 386752182 /nfs/dbraw/zinc/75/21/82/386752182.db2.gz HFEIPJGGNIWVMI-HLTSFMKQSA-N 1 2 239.344 1.810 20 0 BDADLO Nc1[nH+]cnc(NCc2ccoc2)c1Cl ZINC000192285353 386754822 /nfs/dbraw/zinc/75/48/22/386754822.db2.gz JCJDTEYERTUCAF-UHFFFAOYSA-N 1 2 224.651 1.917 20 0 BDADLO Nc1nc[nH+]c(NCc2ccoc2)c1Cl ZINC000192285353 386754830 /nfs/dbraw/zinc/75/48/30/386754830.db2.gz JCJDTEYERTUCAF-UHFFFAOYSA-N 1 2 224.651 1.917 20 0 BDADLO Cc1cccn2cc(CNCc3cocn3)[nH+]c12 ZINC000192316191 386761800 /nfs/dbraw/zinc/76/18/00/386761800.db2.gz HKVXLLNTVKNONM-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H]2CCOC2)o1 ZINC000106885923 386744287 /nfs/dbraw/zinc/74/42/87/386744287.db2.gz IIUZUTQTGJFDMP-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCOC2)o1 ZINC000106885923 386744292 /nfs/dbraw/zinc/74/42/92/386744292.db2.gz IIUZUTQTGJFDMP-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO COC(=O)N1CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000269407908 386789964 /nfs/dbraw/zinc/78/99/64/386789964.db2.gz YQEMWVFQUXDMDD-UHFFFAOYSA-N 1 2 248.286 1.217 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000340865471 386791948 /nfs/dbraw/zinc/79/19/48/386791948.db2.gz DWVZFHVCHZXMMC-NSHDSACASA-N 1 2 236.319 1.142 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000340865471 386791954 /nfs/dbraw/zinc/79/19/54/386791954.db2.gz DWVZFHVCHZXMMC-NSHDSACASA-N 1 2 236.319 1.142 20 0 BDADLO CC(=O)C1(C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000293244967 386793413 /nfs/dbraw/zinc/79/34/13/386793413.db2.gz FMWXJKWUXRBIKK-UHFFFAOYSA-N 1 2 249.314 1.101 20 0 BDADLO CC(C)c1nn(C)cc1NCc1[nH+]ccn1C ZINC000280251425 386794756 /nfs/dbraw/zinc/79/47/56/386794756.db2.gz IYJLXPKDSJHZGP-UHFFFAOYSA-N 1 2 233.319 1.889 20 0 BDADLO CCN(Cc1c[nH+]cn1CC)CC(F)F ZINC000417976484 386770906 /nfs/dbraw/zinc/77/09/06/386770906.db2.gz BDAFZOIASRJZMQ-UHFFFAOYSA-N 1 2 217.263 1.990 20 0 BDADLO COC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccco1 ZINC000293071672 386772540 /nfs/dbraw/zinc/77/25/40/386772540.db2.gz HCAWBPBCUHSZQY-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO Cc1nc(NCc2ccccc2CO)cc[nH+]1 ZINC000525179921 259696625 /nfs/dbraw/zinc/69/66/25/259696625.db2.gz JBPHNRVJYSADKN-UHFFFAOYSA-N 1 2 229.283 1.311 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]Cc2cn(C)nn2)s1 ZINC000125186114 386781683 /nfs/dbraw/zinc/78/16/83/386781683.db2.gz WHGOZHYRAAHWPH-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO CO[C@H](CSc1nc(N)cc(C)[nH+]1)C1CC1 ZINC000400128293 533193402 /nfs/dbraw/zinc/19/34/02/533193402.db2.gz DZUOGZULXWKZKY-SECBINFHSA-N 1 2 239.344 1.715 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000339910988 386789230 /nfs/dbraw/zinc/78/92/30/386789230.db2.gz AGJYJJLXDBCISF-UWVGGRQHSA-N 1 2 219.288 1.082 20 0 BDADLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccno1)CCO2 ZINC000280488621 386818208 /nfs/dbraw/zinc/81/82/08/386818208.db2.gz QCAIJHLQENCUOJ-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccno1)CCO2 ZINC000280488621 386818210 /nfs/dbraw/zinc/81/82/10/386818210.db2.gz QCAIJHLQENCUOJ-CMPLNLGQSA-N 1 2 238.287 1.054 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000329971951 386819830 /nfs/dbraw/zinc/81/98/30/386819830.db2.gz VVAFOCFDAVXKPY-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000329971951 386819834 /nfs/dbraw/zinc/81/98/34/386819834.db2.gz VVAFOCFDAVXKPY-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(C)nc2)n1C ZINC000341016816 386820396 /nfs/dbraw/zinc/82/03/96/386820396.db2.gz URVSKMRNCAANNM-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO Cc1c[nH+]c(CNCc2ccc(C)nc2)n1C ZINC000341016816 386820400 /nfs/dbraw/zinc/82/04/00/386820400.db2.gz URVSKMRNCAANNM-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO CC(C)c1nc(N2C[C@H](CO)[C@H](C)C2)cc[nH+]1 ZINC000357656769 386821217 /nfs/dbraw/zinc/82/12/17/386821217.db2.gz MPADGAQZDDHVFW-GHMZBOCLSA-N 1 2 235.331 1.665 20 0 BDADLO C[C@@]1(C(N)=O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000280311681 386801305 /nfs/dbraw/zinc/80/13/05/386801305.db2.gz SHSUDXCSFRVQHI-CYBMUJFWSA-N 1 2 246.314 1.056 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000336669602 386801446 /nfs/dbraw/zinc/80/14/46/386801446.db2.gz MUOJLMATGFJNKL-XDVGHUOJSA-N 1 2 242.710 1.451 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000336669602 386801449 /nfs/dbraw/zinc/80/14/49/386801449.db2.gz MUOJLMATGFJNKL-XDVGHUOJSA-N 1 2 242.710 1.451 20 0 BDADLO Cn1cncc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000330597136 386806573 /nfs/dbraw/zinc/80/65/73/386806573.db2.gz AETQRDDFQUYFQX-UHFFFAOYSA-N 1 2 224.308 1.556 20 0 BDADLO Cn1cncc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000330597136 386806578 /nfs/dbraw/zinc/80/65/78/386806578.db2.gz AETQRDDFQUYFQX-UHFFFAOYSA-N 1 2 224.308 1.556 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC(C2CCCC2)C1 ZINC000357552449 386806738 /nfs/dbraw/zinc/80/67/38/386806738.db2.gz QZSSNPBKJYVOHV-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1nocc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000293488209 386825255 /nfs/dbraw/zinc/82/52/55/386825255.db2.gz AIQNGBSQZYFWNY-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nocc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000293488209 386825258 /nfs/dbraw/zinc/82/52/58/386825258.db2.gz AIQNGBSQZYFWNY-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ccnc(C(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC000527318952 386826530 /nfs/dbraw/zinc/82/65/30/386826530.db2.gz AGHHIRIIVNXCMP-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000334782213 386837088 /nfs/dbraw/zinc/83/70/88/386837088.db2.gz WZSMTHNSOPTUHI-UONOGXRCSA-N 1 2 249.358 1.845 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000334782213 386837095 /nfs/dbraw/zinc/83/70/95/386837095.db2.gz WZSMTHNSOPTUHI-UONOGXRCSA-N 1 2 249.358 1.845 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000330244652 386839709 /nfs/dbraw/zinc/83/97/09/386839709.db2.gz KHZFCLFFGPOGGI-BDAKNGLRSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000330244652 386839716 /nfs/dbraw/zinc/83/97/16/386839716.db2.gz KHZFCLFFGPOGGI-BDAKNGLRSA-N 1 2 225.292 1.761 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)C1CCOCC1 ZINC000301438581 386844483 /nfs/dbraw/zinc/84/44/83/386844483.db2.gz NLHYIRFXBZMCEZ-UHFFFAOYSA-N 1 2 233.315 1.969 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)no1 ZINC000395076322 386844447 /nfs/dbraw/zinc/84/44/47/386844447.db2.gz UINSEUHNWFXAIQ-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@H](O)[C@H]2C)no1 ZINC000395076322 386844451 /nfs/dbraw/zinc/84/44/51/386844451.db2.gz UINSEUHNWFXAIQ-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC[C@H](F)C1 ZINC000331372943 386844972 /nfs/dbraw/zinc/84/49/72/386844972.db2.gz JMYJOHHZHIXCGI-JGVFFNPUSA-N 1 2 235.266 1.666 20 0 BDADLO CN(CC1CCC1)C(=O)NCc1[nH+]ccn1C ZINC000331372159 386844985 /nfs/dbraw/zinc/84/49/85/386844985.db2.gz JCVVPVZJYLYQOF-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO Cc1ccncc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000341145663 386846474 /nfs/dbraw/zinc/84/64/74/386846474.db2.gz OEHGISPGVFPLJE-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccncc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000341145663 386846481 /nfs/dbraw/zinc/84/64/81/386846481.db2.gz OEHGISPGVFPLJE-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(C)CC1 ZINC000357804118 386849041 /nfs/dbraw/zinc/84/90/41/386849041.db2.gz WYMDRSWJPDUAIL-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000334788420 386851682 /nfs/dbraw/zinc/85/16/82/386851682.db2.gz WNGMPUBKNOHBSO-IUCAKERBSA-N 1 2 239.344 1.883 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000334788420 386851689 /nfs/dbraw/zinc/85/16/89/386851689.db2.gz WNGMPUBKNOHBSO-IUCAKERBSA-N 1 2 239.344 1.883 20 0 BDADLO COc1ncncc1C[N@@H+]1CCSC[C@H]1C ZINC000648008774 386852094 /nfs/dbraw/zinc/85/20/94/386852094.db2.gz YOAMMPJQMAPJAQ-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO COc1ncncc1C[N@H+]1CCSC[C@H]1C ZINC000648008774 386852096 /nfs/dbraw/zinc/85/20/96/386852096.db2.gz YOAMMPJQMAPJAQ-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO Cc1nccc(COCc2[nH]cc[nH+]2)n1 ZINC000341359259 386893205 /nfs/dbraw/zinc/89/32/05/386893205.db2.gz OANWEUFOVRGTKD-UHFFFAOYSA-N 1 2 204.233 1.225 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccoc1C(=O)OC ZINC000293717513 386865632 /nfs/dbraw/zinc/86/56/32/386865632.db2.gz YGHHNBMTUCBJGI-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccoc1C(=O)OC ZINC000293717513 386865638 /nfs/dbraw/zinc/86/56/38/386865638.db2.gz YGHHNBMTUCBJGI-JTQLQIEISA-N 1 2 239.271 1.287 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544122 386868260 /nfs/dbraw/zinc/86/82/60/386868260.db2.gz ASRZDWYCJIROAJ-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544122 386868266 /nfs/dbraw/zinc/86/82/66/386868266.db2.gz ASRZDWYCJIROAJ-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnn(C)c2C)n1C ZINC000341255561 386868359 /nfs/dbraw/zinc/86/83/59/386868359.db2.gz FHRUGPBRPNGXHX-UHFFFAOYSA-N 1 2 233.319 1.060 20 0 BDADLO Cc1c[nH+]c(CNCc2cnn(C)c2C)n1C ZINC000341255561 386868361 /nfs/dbraw/zinc/86/83/61/386868361.db2.gz FHRUGPBRPNGXHX-UHFFFAOYSA-N 1 2 233.319 1.060 20 0 BDADLO Cc1noc(C[N@@H+]2CCCO[C@H](C(C)C)C2)n1 ZINC000331561766 386870399 /nfs/dbraw/zinc/87/03/99/386870399.db2.gz COOLCGWXCIXDBQ-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cc1noc(C[N@H+]2CCCO[C@H](C(C)C)C2)n1 ZINC000331561766 386870403 /nfs/dbraw/zinc/87/04/03/386870403.db2.gz COOLCGWXCIXDBQ-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(-c2cscn2)n1 ZINC000357956794 386872165 /nfs/dbraw/zinc/87/21/65/386872165.db2.gz KMHBEHAKOFBPFQ-UHFFFAOYSA-N 1 2 247.283 1.517 20 0 BDADLO Cn1cc(C[N@@H+]2CCC=C(c3ccco3)C2)nn1 ZINC000335749973 386875576 /nfs/dbraw/zinc/87/55/76/386875576.db2.gz VFMMCRMXHBUPQS-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cn1cc(C[N@H+]2CCC=C(c3ccco3)C2)nn1 ZINC000335749973 386875581 /nfs/dbraw/zinc/87/55/81/386875581.db2.gz VFMMCRMXHBUPQS-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000293820801 386883674 /nfs/dbraw/zinc/88/36/74/386883674.db2.gz DDGLGJCFWDSLDG-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CCC1CC1 ZINC000358123178 386895193 /nfs/dbraw/zinc/89/51/93/386895193.db2.gz JJECECZEGSNULV-AWEZNQCLSA-N 1 2 212.318 1.469 20 0 BDADLO CCc1nc(C(=O)N(C)Cc2[nH+]ccn2C)co1 ZINC000330848373 386914422 /nfs/dbraw/zinc/91/44/22/386914422.db2.gz PMZCDNJSQMDFEN-UHFFFAOYSA-N 1 2 248.286 1.243 20 0 BDADLO CCN(CC)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367920962 386919223 /nfs/dbraw/zinc/91/92/23/386919223.db2.gz MQJAHSKIHFHTCF-OLZOCXBDSA-N 1 2 241.379 1.038 20 0 BDADLO CC(C)c1nc(N2CC[C@H]([C@H](C)O)C2)cc[nH+]1 ZINC000302013971 386895436 /nfs/dbraw/zinc/89/54/36/386895436.db2.gz DRYOETTXBNSBLE-QWRGUYRKSA-N 1 2 235.331 1.807 20 0 BDADLO Cc1nc(N2CC[C@@H]([C@@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000302008855 386896018 /nfs/dbraw/zinc/89/60/18/386896018.db2.gz BNHIXHXAZMHVNC-ZYHUDNBSSA-N 1 2 235.331 1.609 20 0 BDADLO CC[C@H](COC)[NH2+]Cc1noc(C2CC2)n1 ZINC000336739765 386899056 /nfs/dbraw/zinc/89/90/56/386899056.db2.gz PKJQLRPOFSGOFY-SECBINFHSA-N 1 2 225.292 1.462 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC(C2CCC2)C1 ZINC000341386358 386899731 /nfs/dbraw/zinc/89/97/31/386899731.db2.gz STOPPVNXCCXTPM-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO C[C@H]1[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1(F)F ZINC000335763637 386904872 /nfs/dbraw/zinc/90/48/72/386904872.db2.gz OLNAQJXTLAREDP-XPUUQOCRSA-N 1 2 229.230 1.269 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1(F)F ZINC000335763636 386905304 /nfs/dbraw/zinc/90/53/04/386905304.db2.gz OLNAQJXTLAREDP-SVRRBLITSA-N 1 2 229.230 1.269 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000335766488 386907878 /nfs/dbraw/zinc/90/78/78/386907878.db2.gz RVGTYYQHWYRYJX-JTQLQIEISA-N 1 2 219.284 1.872 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000335766488 386907881 /nfs/dbraw/zinc/90/78/81/386907881.db2.gz RVGTYYQHWYRYJX-JTQLQIEISA-N 1 2 219.284 1.872 20 0 BDADLO COc1nn(C)cc1NCc1[nH+]cc(C)n1C ZINC000341409579 386907907 /nfs/dbraw/zinc/90/79/07/386907907.db2.gz SNYDYGMUVOOTBE-UHFFFAOYSA-N 1 2 235.291 1.083 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000334865414 386921724 /nfs/dbraw/zinc/92/17/24/386921724.db2.gz SMRDHJYZFOFWMZ-GFCCVEGCSA-N 1 2 249.289 1.505 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000334865414 386921728 /nfs/dbraw/zinc/92/17/28/386921728.db2.gz SMRDHJYZFOFWMZ-GFCCVEGCSA-N 1 2 249.289 1.505 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000331928413 386926301 /nfs/dbraw/zinc/92/63/01/386926301.db2.gz QKMKLVFOVHSMNI-IVZWLZJFSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334868210 386926919 /nfs/dbraw/zinc/92/69/19/386926919.db2.gz LRZLKXMVSVPJAN-NXEZZACHSA-N 1 2 249.314 1.583 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000334818592 386947503 /nfs/dbraw/zinc/94/75/03/386947503.db2.gz NCVXHHANEQAOTO-WDEREUQCSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](F)C2)C1 ZINC000334818592 386947507 /nfs/dbraw/zinc/94/75/07/386947507.db2.gz NCVXHHANEQAOTO-WDEREUQCSA-N 1 2 228.311 1.289 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2)nn1 ZINC000341594263 386929542 /nfs/dbraw/zinc/92/95/42/386929542.db2.gz BMVYRZSZTARIKW-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2)nn1 ZINC000341594263 386929546 /nfs/dbraw/zinc/92/95/46/386929546.db2.gz BMVYRZSZTARIKW-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cc1nc(N(C)CC[C@H]2CCCO2)cc[nH+]1 ZINC000302705183 386931675 /nfs/dbraw/zinc/93/16/75/386931675.db2.gz JMUDDXUWICPVIJ-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000330929852 386933687 /nfs/dbraw/zinc/93/36/87/386933687.db2.gz ZCKREXNGIXVGAC-VIFPVBQESA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000330929852 386933688 /nfs/dbraw/zinc/93/36/88/386933688.db2.gz ZCKREXNGIXVGAC-VIFPVBQESA-N 1 2 209.293 1.708 20 0 BDADLO CCC1(CC)[C@H]([NH2+]CC(=O)OC)[C@@H](C)[C@@H]1OC ZINC000191404050 386947973 /nfs/dbraw/zinc/94/79/73/386947973.db2.gz MULHAEWRNYJJEQ-JLLWLGSASA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOCC1CCC1 ZINC000341676522 386941210 /nfs/dbraw/zinc/94/12/10/386941210.db2.gz MUMMZQPFCIADFG-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCC1CCC1 ZINC000341676522 386941214 /nfs/dbraw/zinc/94/12/14/386941214.db2.gz MUMMZQPFCIADFG-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CO[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000330993918 386942243 /nfs/dbraw/zinc/94/22/43/386942243.db2.gz IBKMXIKLUUCEDP-DTWKUNHWSA-N 1 2 225.292 1.258 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000368228847 386953184 /nfs/dbraw/zinc/95/31/84/386953184.db2.gz RPDINKVBOAPAQS-UHFFFAOYSA-N 1 2 246.318 1.216 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@]12CCOC1(CCC1)C2 ZINC000334823462 386953756 /nfs/dbraw/zinc/95/37/56/386953756.db2.gz DAOYDHKILANKEP-ZDUSSCGKSA-N 1 2 238.331 1.258 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@]12CCOC1(CCC1)C2 ZINC000334823462 386953760 /nfs/dbraw/zinc/95/37/60/386953760.db2.gz DAOYDHKILANKEP-ZDUSSCGKSA-N 1 2 238.331 1.258 20 0 BDADLO Cc1ccc(CSC[C@@H](O)CO)c(C)[nH+]1 ZINC000331072426 386954234 /nfs/dbraw/zinc/95/42/34/386954234.db2.gz FFZHATHDOJTOGI-NSHDSACASA-N 1 2 227.329 1.285 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000331092480 386958664 /nfs/dbraw/zinc/95/86/64/386958664.db2.gz XXKYVRZOIHYEIT-RXMQYKEDSA-N 1 2 221.182 1.224 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000331092480 386958666 /nfs/dbraw/zinc/95/86/66/386958666.db2.gz XXKYVRZOIHYEIT-RXMQYKEDSA-N 1 2 221.182 1.224 20 0 BDADLO Cc1nnc(C[N@@H+](CCO)C(C)C)s1 ZINC000358509157 386969534 /nfs/dbraw/zinc/96/95/34/386969534.db2.gz NQTXZJUHKDYOLQ-UHFFFAOYSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1nnc(C[N@H+](CCO)C(C)C)s1 ZINC000358509157 386969537 /nfs/dbraw/zinc/96/95/37/386969537.db2.gz NQTXZJUHKDYOLQ-UHFFFAOYSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1ccc2[nH+]c(CSCC(N)=O)cn2c1 ZINC000114675708 386971152 /nfs/dbraw/zinc/97/11/52/386971152.db2.gz JDTRMKWTVKUEGI-UHFFFAOYSA-N 1 2 235.312 1.361 20 0 BDADLO COC[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332389511 386975050 /nfs/dbraw/zinc/97/50/50/386975050.db2.gz HPZBSQLSBYAXPU-VHSXEESVSA-N 1 2 237.303 1.356 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@H](COC(F)F)C2)n1 ZINC000353028439 386983099 /nfs/dbraw/zinc/98/30/99/386983099.db2.gz NXEJLFKYHIROMI-QMMMGPOBSA-N 1 2 247.245 1.439 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@H](COC(F)F)C2)n1 ZINC000353028439 386983101 /nfs/dbraw/zinc/98/31/01/386983101.db2.gz NXEJLFKYHIROMI-QMMMGPOBSA-N 1 2 247.245 1.439 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000331184304 386984396 /nfs/dbraw/zinc/98/43/96/386984396.db2.gz TXBSCMKAXDCBQF-MNOVXSKESA-N 1 2 249.314 1.108 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1C ZINC000331184304 386984402 /nfs/dbraw/zinc/98/44/02/386984402.db2.gz TXBSCMKAXDCBQF-MNOVXSKESA-N 1 2 249.314 1.108 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000368565425 386987876 /nfs/dbraw/zinc/98/78/76/386987876.db2.gz DGSHBBDXCJAAIL-KPPDAEKUSA-N 1 2 234.299 1.479 20 0 BDADLO c1coc(CNc2cccc(-n3cc[nH+]c3)n2)c1 ZINC000368661896 386999197 /nfs/dbraw/zinc/99/91/97/386999197.db2.gz ZNABXFNEDJTRBG-UHFFFAOYSA-N 1 2 240.266 1.894 20 0 BDADLO CCC1(CC)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332690686 387000460 /nfs/dbraw/zinc/00/04/60/387000460.db2.gz KHVMEBOSCFGPFG-UHFFFAOYSA-N 1 2 224.308 1.522 20 0 BDADLO CCC1(CC)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332690686 387000464 /nfs/dbraw/zinc/00/04/64/387000464.db2.gz KHVMEBOSCFGPFG-UHFFFAOYSA-N 1 2 224.308 1.522 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1(O)CCC1 ZINC000334926117 387001345 /nfs/dbraw/zinc/00/13/45/387001345.db2.gz SAEZDGRXIJPCPZ-UHFFFAOYSA-N 1 2 249.314 1.735 20 0 BDADLO Cn1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)n1 ZINC000353034068 387005817 /nfs/dbraw/zinc/00/58/17/387005817.db2.gz KTXRTGHUXKPVGB-GFCCVEGCSA-N 1 2 245.330 1.395 20 0 BDADLO C[C@]1(CNc2cccc[nH+]2)CCC(=O)N1 ZINC000334821462 386950435 /nfs/dbraw/zinc/95/04/35/386950435.db2.gz NAFDNSATQWLFFC-LLVKDONJSA-N 1 2 205.261 1.162 20 0 BDADLO Cc1nn(C)cc1COc1cc[nH+]cc1 ZINC000334955994 387034227 /nfs/dbraw/zinc/03/42/27/387034227.db2.gz KSRXBJBJDPXNDV-UHFFFAOYSA-N 1 2 203.245 1.703 20 0 BDADLO CC[C@@H](CO)[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000358983604 387039299 /nfs/dbraw/zinc/03/92/99/387039299.db2.gz KHOXVIFNOJJCOA-NWDGAFQWSA-N 1 2 246.314 1.255 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000333670504 387050503 /nfs/dbraw/zinc/05/05/03/387050503.db2.gz ISSSBMMRIQNSJQ-GFCCVEGCSA-N 1 2 233.315 1.275 20 0 BDADLO Nc1ncccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000333670504 387050508 /nfs/dbraw/zinc/05/05/08/387050508.db2.gz ISSSBMMRIQNSJQ-GFCCVEGCSA-N 1 2 233.315 1.275 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000352306848 387059941 /nfs/dbraw/zinc/05/99/41/387059941.db2.gz YBWVISRJWKSXPI-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)[C@H]1C ZINC000336764609 387060491 /nfs/dbraw/zinc/06/04/91/387060491.db2.gz QHFPCWIGCHKWRC-YWVKMMECSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)[C@H]1C ZINC000336764609 387060499 /nfs/dbraw/zinc/06/04/99/387060499.db2.gz QHFPCWIGCHKWRC-YWVKMMECSA-N 1 2 208.309 1.719 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368791142 387010053 /nfs/dbraw/zinc/01/00/53/387010053.db2.gz KFYPWZPPCRQPIK-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1 ZINC000368791142 387010057 /nfs/dbraw/zinc/01/00/57/387010057.db2.gz KFYPWZPPCRQPIK-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cn[nH]c1 ZINC000358791045 387014461 /nfs/dbraw/zinc/01/44/61/387014461.db2.gz LCPZOFHDKCXISK-SKDRFNHKSA-N 1 2 244.298 1.287 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)C1CC1 ZINC000267287419 387017178 /nfs/dbraw/zinc/01/71/78/387017178.db2.gz YVTPAXJEYVKKBK-SSDOTTSWSA-N 1 2 207.277 1.380 20 0 BDADLO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1csc(C)n1 ZINC000331347642 387017289 /nfs/dbraw/zinc/01/72/89/387017289.db2.gz WTHMXIHYOSWULL-NSHDSACASA-N 1 2 242.344 1.223 20 0 BDADLO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1csc(C)n1 ZINC000331347642 387017292 /nfs/dbraw/zinc/01/72/92/387017292.db2.gz WTHMXIHYOSWULL-NSHDSACASA-N 1 2 242.344 1.223 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]c(C)c2)on1 ZINC000519164392 387026261 /nfs/dbraw/zinc/02/62/61/387026261.db2.gz KAUYTGHKKWMTTH-UHFFFAOYSA-N 1 2 231.255 1.290 20 0 BDADLO CCOC1CN(Cc2c[nH+]cn2C(C)C)C1 ZINC000425369581 387026973 /nfs/dbraw/zinc/02/69/73/387026973.db2.gz MNYVHDJGEAZSCV-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO Cc1ncccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000519179105 387028790 /nfs/dbraw/zinc/02/87/90/387028790.db2.gz XGQAWWHUHDRABO-UHFFFAOYSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1ccc(C[N@H+]2CCCN(C)C(=O)C2)o1 ZINC000369107460 387029503 /nfs/dbraw/zinc/02/95/03/387029503.db2.gz SLQWFOGJWLYHPL-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)o1 ZINC000369107460 387029507 /nfs/dbraw/zinc/02/95/07/387029507.db2.gz SLQWFOGJWLYHPL-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO C[C@@H](O)CC[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000304291999 387029682 /nfs/dbraw/zinc/02/96/82/387029682.db2.gz CUZUXXPYSWFTMS-RKDXNWHRSA-N 1 2 239.319 1.711 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000304291999 387029685 /nfs/dbraw/zinc/02/96/85/387029685.db2.gz CUZUXXPYSWFTMS-RKDXNWHRSA-N 1 2 239.319 1.711 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccccn1 ZINC000070650726 387072554 /nfs/dbraw/zinc/07/25/54/387072554.db2.gz VJURYBYACBVUFD-UHFFFAOYSA-N 1 2 216.244 1.077 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2noc(C)n2)C1 ZINC000336237317 387072831 /nfs/dbraw/zinc/07/28/31/387072831.db2.gz YCPIWBFFLYTFSC-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2noc(C)n2)C1 ZINC000336237317 387072834 /nfs/dbraw/zinc/07/28/34/387072834.db2.gz YCPIWBFFLYTFSC-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO Fc1ccc([C@H]([NH2+]C2CC2)c2nnc[nH]2)cc1 ZINC000645380576 387075402 /nfs/dbraw/zinc/07/54/02/387075402.db2.gz XNFBEXFOZCODAA-NSHDSACASA-N 1 2 232.262 1.785 20 0 BDADLO CCc1ccc(C[N@@H+](CC)Cc2cn(C)nn2)o1 ZINC000359290625 387078606 /nfs/dbraw/zinc/07/86/06/387078606.db2.gz LKEOPXQZBMDKHA-UHFFFAOYSA-N 1 2 248.330 1.993 20 0 BDADLO CCc1ccc(C[N@H+](CC)Cc2cn(C)nn2)o1 ZINC000359290625 387078610 /nfs/dbraw/zinc/07/86/10/387078610.db2.gz LKEOPXQZBMDKHA-UHFFFAOYSA-N 1 2 248.330 1.993 20 0 BDADLO COC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000648423047 387082845 /nfs/dbraw/zinc/08/28/45/387082845.db2.gz OWFMKWSTAVCULU-UHFFFAOYSA-N 1 2 234.299 1.494 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)C2CC2)nn1C ZINC000334993637 387084648 /nfs/dbraw/zinc/08/46/48/387084648.db2.gz IWESLVFCLCSUGT-UHFFFAOYSA-N 1 2 213.712 1.976 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)C2CC2)nn1C ZINC000334993637 387084649 /nfs/dbraw/zinc/08/46/49/387084649.db2.gz IWESLVFCLCSUGT-UHFFFAOYSA-N 1 2 213.712 1.976 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CCC(F)(F)F ZINC000359403428 387096305 /nfs/dbraw/zinc/09/63/05/387096305.db2.gz DEKMHDDCZBCITP-HNNXBMFYSA-N 1 2 240.250 1.621 20 0 BDADLO Cn1nccc1CNc1cc[nH+]c2ccncc12 ZINC000359454158 387103446 /nfs/dbraw/zinc/10/34/46/387103446.db2.gz GHTVHSAQFYQIAE-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO C[C@@]1(F)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000336275423 387105891 /nfs/dbraw/zinc/10/58/91/387105891.db2.gz MLYUFRKJZCVWSL-JGVFFNPUSA-N 1 2 229.217 1.734 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000336275423 387105896 /nfs/dbraw/zinc/10/58/96/387105896.db2.gz MLYUFRKJZCVWSL-JGVFFNPUSA-N 1 2 229.217 1.734 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@](F)(CO)C2)sc1C ZINC000334945303 387105999 /nfs/dbraw/zinc/10/59/99/387105999.db2.gz PROXRJZPCBNZLC-LLVKDONJSA-N 1 2 244.335 1.666 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@](F)(CO)C2)sc1C ZINC000334945303 387106002 /nfs/dbraw/zinc/10/60/02/387106002.db2.gz PROXRJZPCBNZLC-LLVKDONJSA-N 1 2 244.335 1.666 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@](F)(CO)C2)sc1C ZINC000334945305 387106865 /nfs/dbraw/zinc/10/68/65/387106865.db2.gz PROXRJZPCBNZLC-NSHDSACASA-N 1 2 244.335 1.666 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@](F)(CO)C2)sc1C ZINC000334945305 387106870 /nfs/dbraw/zinc/10/68/70/387106870.db2.gz PROXRJZPCBNZLC-NSHDSACASA-N 1 2 244.335 1.666 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC2CC2)c(C)n1 ZINC000186572864 387111103 /nfs/dbraw/zinc/11/11/03/387111103.db2.gz XZFRLGNIYJLPIO-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC2CC2)c(C)n1 ZINC000186572864 387111110 /nfs/dbraw/zinc/11/11/10/387111110.db2.gz XZFRLGNIYJLPIO-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCCCO1 ZINC000336289142 387122143 /nfs/dbraw/zinc/12/21/43/387122143.db2.gz HBDXTAKCXWZNMV-UHFFFAOYSA-N 1 2 245.282 1.892 20 0 BDADLO CC(C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371044010 387142601 /nfs/dbraw/zinc/14/26/01/387142601.db2.gz PBFFZDCTNREQIE-SNVBAGLBSA-N 1 2 221.304 1.392 20 0 BDADLO O=C(NCC(F)(F)F)c1ccc2[nH+]ccn2c1 ZINC000057827394 387147374 /nfs/dbraw/zinc/14/73/74/387147374.db2.gz TYQRCBRAROTWRS-UHFFFAOYSA-N 1 2 243.188 1.626 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000353285496 387172830 /nfs/dbraw/zinc/17/28/30/387172830.db2.gz YPRZXXHCOKIPFL-UHFFFAOYSA-N 1 2 232.287 1.791 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000353285496 387172834 /nfs/dbraw/zinc/17/28/34/387172834.db2.gz YPRZXXHCOKIPFL-UHFFFAOYSA-N 1 2 232.287 1.791 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CC2(O)CCC2)[nH+]1 ZINC000353290359 387173970 /nfs/dbraw/zinc/17/39/70/387173970.db2.gz GIAGAXZHSRGFKD-UHFFFAOYSA-N 1 2 246.314 1.618 20 0 BDADLO CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058482817 387190457 /nfs/dbraw/zinc/19/04/57/387190457.db2.gz OOIAUPLXZZZZIS-UHFFFAOYSA-N 1 2 237.303 1.478 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000228995505 387136036 /nfs/dbraw/zinc/13/60/36/387136036.db2.gz SAZVTTUTCKYMOC-SNVBAGLBSA-N 1 2 221.304 1.852 20 0 BDADLO CC1(C)CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000228995505 387136038 /nfs/dbraw/zinc/13/60/38/387136038.db2.gz SAZVTTUTCKYMOC-SNVBAGLBSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(O)c2)CCN1C ZINC000336309944 387138915 /nfs/dbraw/zinc/13/89/15/387138915.db2.gz LQEVIPDVEJEWLG-VXGBXAGGSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(O)c2)CCN1C ZINC000336309944 387138921 /nfs/dbraw/zinc/13/89/21/387138921.db2.gz LQEVIPDVEJEWLG-VXGBXAGGSA-N 1 2 234.343 1.917 20 0 BDADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000336311260 387140034 /nfs/dbraw/zinc/14/00/34/387140034.db2.gz GXYXLONQVDFFPZ-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cnccc1C ZINC000359652822 387140781 /nfs/dbraw/zinc/14/07/81/387140781.db2.gz NHAYVOOMWFEUKW-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cnccc1C ZINC000359652822 387140783 /nfs/dbraw/zinc/14/07/83/387140783.db2.gz NHAYVOOMWFEUKW-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC(C)(C)C2)[nH]1 ZINC000336423692 387252462 /nfs/dbraw/zinc/25/24/62/387252462.db2.gz SOVCEYAGBPCTER-UHFFFAOYSA-N 1 2 226.349 1.441 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC(C)(C)C2)[nH]1 ZINC000336423692 387252464 /nfs/dbraw/zinc/25/24/64/387252464.db2.gz SOVCEYAGBPCTER-UHFFFAOYSA-N 1 2 226.349 1.441 20 0 BDADLO CC[C@H](C)[C@@H](C)[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344895 387209462 /nfs/dbraw/zinc/20/94/62/387209462.db2.gz OYKTVZBEHWGFCJ-VHSXEESVSA-N 1 2 237.351 1.609 20 0 BDADLO CC[C@H](C)[C@@H](C)[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344895 387209468 /nfs/dbraw/zinc/20/94/68/387209468.db2.gz OYKTVZBEHWGFCJ-VHSXEESVSA-N 1 2 237.351 1.609 20 0 BDADLO c1cn2ccnc(SCCn3cc[nH+]c3)c2n1 ZINC000187602992 387210898 /nfs/dbraw/zinc/21/08/98/387210898.db2.gz MXRQOUWLOFLYDF-UHFFFAOYSA-N 1 2 245.311 1.718 20 0 BDADLO CCC[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)OCC ZINC000300423384 387212325 /nfs/dbraw/zinc/21/23/25/387212325.db2.gz QVKBESXEDCTJPO-GVXVVHGQSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncn(C)n2)cc1F ZINC000092852488 387215281 /nfs/dbraw/zinc/21/52/81/387215281.db2.gz FPVLYVHYRSXFCL-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ncccc1C ZINC000093157573 387218361 /nfs/dbraw/zinc/21/83/61/387218361.db2.gz JUQGAXZZEHEGLZ-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ncccc1C ZINC000093157573 387218367 /nfs/dbraw/zinc/21/83/67/387218367.db2.gz JUQGAXZZEHEGLZ-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO Cc1cc(NC(=O)C2=CCOCC2)cc[nH+]1 ZINC000336390389 387220233 /nfs/dbraw/zinc/22/02/33/387220233.db2.gz PVHANHUHZWNKRN-UHFFFAOYSA-N 1 2 218.256 1.097 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000336393379 387221939 /nfs/dbraw/zinc/22/19/39/387221939.db2.gz WWCCSJGCVNOLSN-WCQYABFASA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000336393379 387221942 /nfs/dbraw/zinc/22/19/42/387221942.db2.gz WWCCSJGCVNOLSN-WCQYABFASA-N 1 2 249.358 1.810 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000336394494 387221958 /nfs/dbraw/zinc/22/19/58/387221958.db2.gz MJKFNCLPEDNSCC-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CCCOC1 ZINC000336394494 387221961 /nfs/dbraw/zinc/22/19/61/387221961.db2.gz MJKFNCLPEDNSCC-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572058177 387225354 /nfs/dbraw/zinc/22/53/54/387225354.db2.gz SDSBTWTWYDROSR-DTWKUNHWSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572058177 387225359 /nfs/dbraw/zinc/22/53/59/387225359.db2.gz SDSBTWTWYDROSR-DTWKUNHWSA-N 1 2 227.283 1.453 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2(O)CCC2)s1 ZINC000353542568 387225651 /nfs/dbraw/zinc/22/56/51/387225651.db2.gz ZZIZFDKUHQKXGJ-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2(O)CCC2)s1 ZINC000353542568 387225656 /nfs/dbraw/zinc/22/56/56/387225656.db2.gz ZZIZFDKUHQKXGJ-UHFFFAOYSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000360096384 387227217 /nfs/dbraw/zinc/22/72/17/387227217.db2.gz FYOHCYRXQLAXMQ-UHFFFAOYSA-N 1 2 233.315 1.397 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000360096384 387227220 /nfs/dbraw/zinc/22/72/20/387227220.db2.gz FYOHCYRXQLAXMQ-UHFFFAOYSA-N 1 2 233.315 1.397 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000360115544 387229037 /nfs/dbraw/zinc/22/90/37/387229037.db2.gz NHWFVTSMSFMGGD-KOLCDFICSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360115544 387229040 /nfs/dbraw/zinc/22/90/40/387229040.db2.gz NHWFVTSMSFMGGD-KOLCDFICSA-N 1 2 249.362 1.516 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(C(N)=O)cc1 ZINC000353575508 387233056 /nfs/dbraw/zinc/23/30/56/387233056.db2.gz ODODOOFVTXIMIW-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(C(N)=O)cc1 ZINC000353575508 387233060 /nfs/dbraw/zinc/23/30/60/387233060.db2.gz ODODOOFVTXIMIW-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO CCN1CC[N@H+](Cc2ccccn2)[C@@H](C)C1=O ZINC000336415914 387242914 /nfs/dbraw/zinc/24/29/14/387242914.db2.gz YAJTUDXCOOOKJC-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[N@@H+](Cc2ccccn2)[C@@H](C)C1=O ZINC000336415914 387242917 /nfs/dbraw/zinc/24/29/17/387242917.db2.gz YAJTUDXCOOOKJC-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000360203192 387243763 /nfs/dbraw/zinc/24/37/63/387243763.db2.gz ODJJWIPQNCLHCU-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@H]2CCOC2)no1 ZINC000353627527 387245926 /nfs/dbraw/zinc/24/59/26/387245926.db2.gz WNJCUSHTQPHLIW-IUCAKERBSA-N 1 2 241.291 1.046 20 0 BDADLO CC1=C(C(=O)N(C)Cc2[nH+]ccn2C)CCC1 ZINC000336362091 387195236 /nfs/dbraw/zinc/19/52/36/387195236.db2.gz VFDTVOZXTHKFFQ-UHFFFAOYSA-N 1 2 233.315 1.879 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336422243 387252374 /nfs/dbraw/zinc/25/23/74/387252374.db2.gz XMEGWSDWLHAXQK-NXEZZACHSA-N 1 2 214.284 1.041 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336422243 387252378 /nfs/dbraw/zinc/25/23/78/387252378.db2.gz XMEGWSDWLHAXQK-NXEZZACHSA-N 1 2 214.284 1.041 20 0 BDADLO c1nc([C@@H]2CCCN2Cc2c[nH+]c[nH]2)no1 ZINC000371383551 387201318 /nfs/dbraw/zinc/20/13/18/387201318.db2.gz OOOJLRYWWAHLHV-VIFPVBQESA-N 1 2 219.248 1.130 20 0 BDADLO c1nc([C@@H]2CCCN2Cc2c[nH]c[nH+]2)no1 ZINC000371383551 387201324 /nfs/dbraw/zinc/20/13/24/387201324.db2.gz OOOJLRYWWAHLHV-VIFPVBQESA-N 1 2 219.248 1.130 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000354023843 387314570 /nfs/dbraw/zinc/31/45/70/387314570.db2.gz GWRXDBHWMATZFC-MNOVXSKESA-N 1 2 247.342 1.882 20 0 BDADLO C[C@H](CF)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000360591405 387315711 /nfs/dbraw/zinc/31/57/11/387315711.db2.gz OLGOLHUKZGRTEU-SNVBAGLBSA-N 1 2 247.273 1.960 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@@H]2C2CC2)nc[nH+]1 ZINC000230307787 387258309 /nfs/dbraw/zinc/25/83/09/387258309.db2.gz GNOBYZLBGDVIDA-CMPLNLGQSA-N 1 2 219.288 1.764 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@@H]12 ZINC000360339232 387265711 /nfs/dbraw/zinc/26/57/11/387265711.db2.gz WDDJGQWJUGLSOJ-WCQYABFASA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccc(F)cc3)[C@@H]12 ZINC000360339232 387265716 /nfs/dbraw/zinc/26/57/16/387265716.db2.gz WDDJGQWJUGLSOJ-WCQYABFASA-N 1 2 249.285 1.963 20 0 BDADLO CCC[C@]1([NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000285468039 387267967 /nfs/dbraw/zinc/26/79/67/387267967.db2.gz KFWOSMPTIMZBSG-LBPRGKRZSA-N 1 2 223.320 1.767 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[C@H](F)C1 ZINC000360350317 387269662 /nfs/dbraw/zinc/26/96/62/387269662.db2.gz BFAXSYLRWYPCHN-IUCAKERBSA-N 1 2 225.267 1.349 20 0 BDADLO C[C@H](CC1CC1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000336446561 387276336 /nfs/dbraw/zinc/27/63/36/387276336.db2.gz RYSBKJULZKBOKW-SNVBAGLBSA-N 1 2 248.330 1.597 20 0 BDADLO Cc1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)o1 ZINC000336455393 387282442 /nfs/dbraw/zinc/28/24/42/387282442.db2.gz YMGFMNDYKPVGBL-GHMZBOCLSA-N 1 2 241.356 1.929 20 0 BDADLO CSC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000514733521 387282541 /nfs/dbraw/zinc/28/25/41/387282541.db2.gz KNCCCIGHPOVJBQ-VHSXEESVSA-N 1 2 241.360 1.702 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353907483 387295015 /nfs/dbraw/zinc/29/50/15/387295015.db2.gz YCZVLKLPSGJIAB-RYUDHWBXSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353907483 387295018 /nfs/dbraw/zinc/29/50/18/387295018.db2.gz YCZVLKLPSGJIAB-RYUDHWBXSA-N 1 2 242.363 1.115 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3ccnc3C2)c(C)n1 ZINC000336464514 387295396 /nfs/dbraw/zinc/29/53/96/387295396.db2.gz IIMUSAHIBNWKQH-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3ccnc3C2)c(C)n1 ZINC000336464514 387295400 /nfs/dbraw/zinc/29/54/00/387295400.db2.gz IIMUSAHIBNWKQH-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc2[nH]c(C[N@H+](C)CC(N)=O)cc2c(C)c1 ZINC000360818500 387354346 /nfs/dbraw/zinc/35/43/46/387354346.db2.gz FXGDOOXXXIWLMQ-UHFFFAOYSA-N 1 2 245.326 1.702 20 0 BDADLO Cc1cc2[nH]c(C[N@@H+](C)CC(N)=O)cc2c(C)c1 ZINC000360818500 387354349 /nfs/dbraw/zinc/35/43/49/387354349.db2.gz FXGDOOXXXIWLMQ-UHFFFAOYSA-N 1 2 245.326 1.702 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCCCO1)CC2 ZINC000373301811 387356378 /nfs/dbraw/zinc/35/63/78/387356378.db2.gz LQHYPSQZGKAUMN-NSHDSACASA-N 1 2 249.314 1.103 20 0 BDADLO CC1(CNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000515346756 387368682 /nfs/dbraw/zinc/36/86/82/387368682.db2.gz YVVJPAMURZOVCL-QMMMGPOBSA-N 1 2 225.317 1.059 20 0 BDADLO CC(C)n1c[nH+]cc1CN=c1cco[nH]1 ZINC000515347750 387369044 /nfs/dbraw/zinc/36/90/44/387369044.db2.gz NAFKOYXHIXWXDQ-UHFFFAOYSA-N 1 2 206.249 1.486 20 0 BDADLO C[C@H](CF)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000287129066 387377857 /nfs/dbraw/zinc/37/78/57/387377857.db2.gz GPWXXFPWCFFMSB-PSASIEDQSA-N 1 2 210.252 1.161 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1nccn1C ZINC000336557290 387380748 /nfs/dbraw/zinc/38/07/48/387380748.db2.gz ZRVVXNQEKKKCOV-ONGXEEELSA-N 1 2 245.330 1.871 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000352616808 387380770 /nfs/dbraw/zinc/38/07/70/387380770.db2.gz WZXTZIHMEKOBMH-ZJUUUORDSA-N 1 2 221.304 1.425 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3ccncc3)C2)c1 ZINC000372648059 387320773 /nfs/dbraw/zinc/32/07/73/387320773.db2.gz GYHTZKXMLDNNBV-UHFFFAOYSA-N 1 2 228.299 1.643 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000372727851 387321701 /nfs/dbraw/zinc/32/17/01/387321701.db2.gz QLJXVZWMNOTXMW-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO FC1(F)CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336497722 387322164 /nfs/dbraw/zinc/32/21/64/387322164.db2.gz FHCWFIJKGPKELA-SECBINFHSA-N 1 2 205.248 1.754 20 0 BDADLO FC1(F)CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336497722 387322167 /nfs/dbraw/zinc/32/21/67/387322167.db2.gz FHCWFIJKGPKELA-SECBINFHSA-N 1 2 205.248 1.754 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000354059808 387324586 /nfs/dbraw/zinc/32/45/86/387324586.db2.gz WXTQDDNNBIMXSS-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000354059808 387324592 /nfs/dbraw/zinc/32/45/92/387324592.db2.gz WXTQDDNNBIMXSS-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO CC(C)c1nc(NC[C@@]2(C)CCOC2)cc[nH+]1 ZINC000354089883 387329399 /nfs/dbraw/zinc/32/93/99/387329399.db2.gz GPZOJHDLJDSEAX-CYBMUJFWSA-N 1 2 235.331 1.860 20 0 BDADLO Cc1nocc1CSc1nc(N)cc(C)[nH+]1 ZINC000515185062 387342050 /nfs/dbraw/zinc/34/20/50/387342050.db2.gz WVUOQGSAOAEJDU-UHFFFAOYSA-N 1 2 236.300 1.786 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554293 387347735 /nfs/dbraw/zinc/34/77/35/387347735.db2.gz KJXIYOLCKATUFY-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554293 387347742 /nfs/dbraw/zinc/34/77/42/387347742.db2.gz KJXIYOLCKATUFY-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO C[C@@H]1[N@H+](Cc2ccon2)CCOC1(C)C ZINC000336526476 387350962 /nfs/dbraw/zinc/35/09/62/387350962.db2.gz DZDUJZOCHPERMS-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1[N@@H+](Cc2ccon2)CCOC1(C)C ZINC000336526476 387350969 /nfs/dbraw/zinc/35/09/69/387350969.db2.gz DZDUJZOCHPERMS-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO COC(=O)c1sccc1Cn1cc[nH+]c1 ZINC000088491504 387429006 /nfs/dbraw/zinc/42/90/06/387429006.db2.gz UEIPEJSHQRLXGX-UHFFFAOYSA-N 1 2 222.269 1.780 20 0 BDADLO C[C@@H](NCC[N@@H+]1CCCOCC1)c1ccon1 ZINC000361339892 387442433 /nfs/dbraw/zinc/44/24/33/387442433.db2.gz VWQOPXDOIRPQRM-LLVKDONJSA-N 1 2 239.319 1.048 20 0 BDADLO C[C@@H](NCC[N@H+]1CCCOCC1)c1ccon1 ZINC000361339892 387442434 /nfs/dbraw/zinc/44/24/34/387442434.db2.gz VWQOPXDOIRPQRM-LLVKDONJSA-N 1 2 239.319 1.048 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC1(C)C ZINC000352701746 387443640 /nfs/dbraw/zinc/44/36/40/387443640.db2.gz NIBKUUUTHFIJOB-SECBINFHSA-N 1 2 236.319 1.265 20 0 BDADLO O=C1CC[N@H+](Cc2ccsc2Cl)CCN1 ZINC000336605770 387448911 /nfs/dbraw/zinc/44/89/11/387448911.db2.gz RBVUTDVMWSCZDA-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO O=C1CC[N@@H+](Cc2ccsc2Cl)CCN1 ZINC000336605770 387448916 /nfs/dbraw/zinc/44/89/16/387448916.db2.gz RBVUTDVMWSCZDA-UHFFFAOYSA-N 1 2 244.747 1.723 20 0 BDADLO CCCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374373271 387448942 /nfs/dbraw/zinc/44/89/42/387448942.db2.gz HHZULUNOKBGQCB-CYBMUJFWSA-N 1 2 247.342 1.745 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[C@@H]1C)CCC2 ZINC000374435794 387455327 /nfs/dbraw/zinc/45/53/27/387455327.db2.gz KNZRNUGPSOVMAM-ZMLRMANQSA-N 1 2 247.342 1.841 20 0 BDADLO CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336563280 387389257 /nfs/dbraw/zinc/38/92/57/387389257.db2.gz CTKXEWNNVHCNCR-UHFFFAOYSA-N 1 2 221.304 1.916 20 0 BDADLO CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336563280 387389260 /nfs/dbraw/zinc/38/92/60/387389260.db2.gz CTKXEWNNVHCNCR-UHFFFAOYSA-N 1 2 221.304 1.916 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336563619 387389790 /nfs/dbraw/zinc/38/97/90/387389790.db2.gz DOLGQETYUNAVJG-VIFPVBQESA-N 1 2 236.319 1.317 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336563619 387389794 /nfs/dbraw/zinc/38/97/94/387389794.db2.gz DOLGQETYUNAVJG-VIFPVBQESA-N 1 2 236.319 1.317 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373747999 387394636 /nfs/dbraw/zinc/39/46/36/387394636.db2.gz ZOHASKZCYAMERX-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000121765408 387405042 /nfs/dbraw/zinc/40/50/42/387405042.db2.gz RIJAGYXTIATIBO-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000361580122 387502201 /nfs/dbraw/zinc/50/22/01/387502201.db2.gz ZGZRVTAJDQWTJX-MWLCHTKSSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000361580122 387502202 /nfs/dbraw/zinc/50/22/02/387502202.db2.gz ZGZRVTAJDQWTJX-MWLCHTKSSA-N 1 2 247.302 1.583 20 0 BDADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nccs1 ZINC000361582773 387502351 /nfs/dbraw/zinc/50/23/51/387502351.db2.gz BAUAPGXHMDUCQY-VHSXEESVSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nccs1 ZINC000361582773 387502354 /nfs/dbraw/zinc/50/23/54/387502354.db2.gz BAUAPGXHMDUCQY-VHSXEESVSA-N 1 2 242.344 1.115 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)nc1 ZINC000085820041 387504176 /nfs/dbraw/zinc/50/41/76/387504176.db2.gz IIJHICDNAYFREM-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)nc1 ZINC000085820041 387504181 /nfs/dbraw/zinc/50/41/81/387504181.db2.gz IIJHICDNAYFREM-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000355258924 387507823 /nfs/dbraw/zinc/50/78/23/387507823.db2.gz WLXBAFSUNWJNII-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396929277 387513207 /nfs/dbraw/zinc/51/32/07/387513207.db2.gz WWGUFQQTHYWPNQ-QWRGUYRKSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(F)(F)F ZINC000361632076 387513320 /nfs/dbraw/zinc/51/33/20/387513320.db2.gz RPCFGGZABBHVEC-RNFRBKRXSA-N 1 2 227.226 1.678 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(F)(F)F ZINC000361632076 387513324 /nfs/dbraw/zinc/51/33/24/387513324.db2.gz RPCFGGZABBHVEC-RNFRBKRXSA-N 1 2 227.226 1.678 20 0 BDADLO CC(C)[N@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361630791 387514107 /nfs/dbraw/zinc/51/41/07/387514107.db2.gz GEVVSIOTIYCWDR-UHFFFAOYSA-N 1 2 237.351 1.801 20 0 BDADLO CC(C)[N@@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361630791 387514110 /nfs/dbraw/zinc/51/41/10/387514110.db2.gz GEVVSIOTIYCWDR-UHFFFAOYSA-N 1 2 237.351 1.801 20 0 BDADLO CCCCOCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000361643285 387516259 /nfs/dbraw/zinc/51/62/59/387516259.db2.gz MGZYDRKIDNKQQY-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CCCCOCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361643285 387516264 /nfs/dbraw/zinc/51/62/64/387516264.db2.gz MGZYDRKIDNKQQY-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO C(=C\c1ccncc1)\C[NH+]1CC(n2ccnn2)C1 ZINC000426161237 387544782 /nfs/dbraw/zinc/54/47/82/387544782.db2.gz NDNBLVBYPHQEEC-UPHRSURJSA-N 1 2 241.298 1.243 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)C)cn1 ZINC000122435743 387532394 /nfs/dbraw/zinc/53/23/94/387532394.db2.gz VIKDWEISZFTIBI-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)C)cn1 ZINC000122435743 387532398 /nfs/dbraw/zinc/53/23/98/387532398.db2.gz VIKDWEISZFTIBI-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](C)O)C(=O)OC(C)(C)C ZINC000192787707 387534291 /nfs/dbraw/zinc/53/42/91/387534291.db2.gz MUSUMJZDZFYWFQ-AXFHLTTASA-N 1 2 245.363 1.713 20 0 BDADLO CCCOCC(=O)NCc1c[nH+]c(C)cc1C ZINC000397090162 387535931 /nfs/dbraw/zinc/53/59/31/387535931.db2.gz JMZWLXYDKRYCOW-UHFFFAOYSA-N 1 2 236.315 1.741 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@](C)(O)C(C)C)CC2 ZINC000375388911 387536824 /nfs/dbraw/zinc/53/68/24/387536824.db2.gz DJYVJBGAMVUMMM-ZDUSSCGKSA-N 1 2 237.347 1.414 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@](C)(O)C(C)C)CC2 ZINC000375388911 387536830 /nfs/dbraw/zinc/53/68/30/387536830.db2.gz DJYVJBGAMVUMMM-ZDUSSCGKSA-N 1 2 237.347 1.414 20 0 BDADLO CN(CC(F)(F)F)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375442770 387539889 /nfs/dbraw/zinc/53/98/89/387539889.db2.gz JWNWIXKAMSQCED-RXMQYKEDSA-N 1 2 246.179 1.004 20 0 BDADLO COCc1ccc(C[NH+]2CC(n3ccnn3)C2)o1 ZINC000355005448 387464367 /nfs/dbraw/zinc/46/43/67/387464367.db2.gz VMWUUZBVIBSZJF-UHFFFAOYSA-N 1 2 248.286 1.074 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CCCCCC1)[C@@H](C)O ZINC000355042701 387470247 /nfs/dbraw/zinc/47/02/47/387470247.db2.gz QWUNBAVZDRFHRY-ZYHUDNBSSA-N 1 2 243.347 1.469 20 0 BDADLO COC[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000355051357 387470337 /nfs/dbraw/zinc/47/03/37/387470337.db2.gz NFFDUKTYCSBUJP-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1csc(C)n1)CC2 ZINC000374642278 387475521 /nfs/dbraw/zinc/47/55/21/387475521.db2.gz BUCCOMRUDNFZRO-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1occc1C)CC2 ZINC000374648097 387476507 /nfs/dbraw/zinc/47/65/07/387476507.db2.gz PNLGKKUSLCFZHN-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO CCC1CCC([NH2+][C@H](COC)C(=O)OC)CC1 ZINC000355086756 387477110 /nfs/dbraw/zinc/47/71/10/387477110.db2.gz KVPHRTLKLGPRJB-HTAVTVPLSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)C(C)C)CC2 ZINC000374660454 387477703 /nfs/dbraw/zinc/47/77/03/387477703.db2.gz GFHOWUVEZMCLIG-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(F)(F)F)CC2 ZINC000374664145 387478679 /nfs/dbraw/zinc/47/86/79/387478679.db2.gz RKTLVNMMVCSTKK-UHFFFAOYSA-N 1 2 233.193 1.096 20 0 BDADLO COC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000355092922 387479994 /nfs/dbraw/zinc/47/99/94/387479994.db2.gz ZGOHBFKWNYQGDM-UTUOFQBUSA-N 1 2 243.347 1.590 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCOC[C@H]1CCOC ZINC000361517721 387480540 /nfs/dbraw/zinc/48/05/40/387480540.db2.gz BOQRUDYCAYOTPV-GHMZBOCLSA-N 1 2 219.300 1.472 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCOC[C@H]1CCOC ZINC000361517721 387480544 /nfs/dbraw/zinc/48/05/44/387480544.db2.gz BOQRUDYCAYOTPV-GHMZBOCLSA-N 1 2 219.300 1.472 20 0 BDADLO Cc1ccncc1C[NH2+][C@H](C)c1ncnn1C ZINC000355107451 387481633 /nfs/dbraw/zinc/48/16/33/387481633.db2.gz CKPUGNXNDXRLMR-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccco1)CC2 ZINC000374698397 387483297 /nfs/dbraw/zinc/48/32/97/387483297.db2.gz IYLHJLWSIPUZQO-UHFFFAOYSA-N 1 2 217.272 1.800 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000648504948 387484638 /nfs/dbraw/zinc/48/46/38/387484638.db2.gz ZQWRJNVBSMQTHL-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000648504948 387484644 /nfs/dbraw/zinc/48/46/44/387484644.db2.gz ZQWRJNVBSMQTHL-GXSJLCMTSA-N 1 2 239.294 1.665 20 0 BDADLO C[N@H+](CCC1(O)CCC1)Cc1cscn1 ZINC000396755082 387488327 /nfs/dbraw/zinc/48/83/27/387488327.db2.gz AXZSOSPOUAUJOZ-UHFFFAOYSA-N 1 2 226.345 1.880 20 0 BDADLO C[N@@H+](CCC1(O)CCC1)Cc1cscn1 ZINC000396755082 387488331 /nfs/dbraw/zinc/48/83/31/387488331.db2.gz AXZSOSPOUAUJOZ-UHFFFAOYSA-N 1 2 226.345 1.880 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000355162460 387490569 /nfs/dbraw/zinc/49/05/69/387490569.db2.gz WSKMLBKDVZHCHF-DRZSPHRISA-N 1 2 233.311 1.941 20 0 BDADLO CCCc1nc(C[N@H+](CC)C[C@@H](C)OC)no1 ZINC000361561496 387493303 /nfs/dbraw/zinc/49/33/03/387493303.db2.gz AKMJIGIWNUNJET-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1nc(C[N@@H+](CC)C[C@@H](C)OC)no1 ZINC000361561496 387493307 /nfs/dbraw/zinc/49/33/07/387493307.db2.gz AKMJIGIWNUNJET-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CC[N@H+](CCO)[C@H](C(=O)OC)c1ccccc1 ZINC000305228512 387583371 /nfs/dbraw/zinc/58/33/71/387583371.db2.gz WXCQJGUVANFHFC-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@@H+](CCO)[C@H](C(=O)OC)c1ccccc1 ZINC000305228512 387583373 /nfs/dbraw/zinc/58/33/73/387583373.db2.gz WXCQJGUVANFHFC-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](n3cccn3)C2)[nH]1 ZINC000428222845 387592123 /nfs/dbraw/zinc/59/21/23/387592123.db2.gz VETDMNLXJQXTMT-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](n3cccn3)C2)[nH]1 ZINC000428222845 387592129 /nfs/dbraw/zinc/59/21/29/387592129.db2.gz VETDMNLXJQXTMT-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)OC1CCCC1 ZINC000295667332 387593095 /nfs/dbraw/zinc/59/30/95/387593095.db2.gz AYHKGGWPWMJXFA-UHFFFAOYSA-N 1 2 237.303 1.931 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000355942058 387597364 /nfs/dbraw/zinc/59/73/64/387597364.db2.gz SWBWQOXVUCRDKG-OUAUKWLOSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000356032924 387610629 /nfs/dbraw/zinc/61/06/29/387610629.db2.gz AJMZCVRTONSLSN-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(C)(C)C ZINC000356032924 387610632 /nfs/dbraw/zinc/61/06/32/387610632.db2.gz AJMZCVRTONSLSN-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CCN(CCC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000356055481 387612102 /nfs/dbraw/zinc/61/21/02/387612102.db2.gz HJDXZARIRZZGFD-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO Cc1cc(NC[C@@H]2[C@H]3COC[C@H]32)nc(C2CC2)[nH+]1 ZINC000376173912 387612343 /nfs/dbraw/zinc/61/23/43/387612343.db2.gz PSZAFGHLUMGWEU-CNDDSTCGSA-N 1 2 245.326 1.389 20 0 BDADLO CCN(C)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000376166782 387612646 /nfs/dbraw/zinc/61/26/46/387612646.db2.gz NFWXCIJALMSISR-JTQLQIEISA-N 1 2 236.319 1.025 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000376166782 387612650 /nfs/dbraw/zinc/61/26/50/387612650.db2.gz NFWXCIJALMSISR-JTQLQIEISA-N 1 2 236.319 1.025 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000376166782 387612654 /nfs/dbraw/zinc/61/26/54/387612654.db2.gz NFWXCIJALMSISR-JTQLQIEISA-N 1 2 236.319 1.025 20 0 BDADLO CCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000376262871 387616090 /nfs/dbraw/zinc/61/60/90/387616090.db2.gz BJUSASFYRSTUIZ-UHFFFAOYSA-N 1 2 221.304 1.724 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ncccc1C)CC2 ZINC000376283439 387617072 /nfs/dbraw/zinc/61/70/72/387617072.db2.gz DQQCPBNOBDZSKG-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCSC[C@@H]1CCO ZINC000356124791 387618883 /nfs/dbraw/zinc/61/88/83/387618883.db2.gz QGSDNUOIJDNRTE-JTQLQIEISA-N 1 2 241.360 1.018 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCSC[C@@H]1CCO ZINC000356124791 387618889 /nfs/dbraw/zinc/61/88/89/387618889.db2.gz QGSDNUOIJDNRTE-JTQLQIEISA-N 1 2 241.360 1.018 20 0 BDADLO Cc1ccc(CC[NH+]2CCS(=O)CC2)cc1 ZINC000124540671 387621615 /nfs/dbraw/zinc/62/16/15/387621615.db2.gz OOLIDGISHZWCRD-UHFFFAOYSA-N 1 2 237.368 1.602 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ccccn2)o1 ZINC000034981205 387549337 /nfs/dbraw/zinc/54/93/37/387549337.db2.gz JQTGJKUXYOFIBO-UHFFFAOYSA-N 1 2 246.266 1.751 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2ccccn2)o1 ZINC000355655944 387563556 /nfs/dbraw/zinc/56/35/56/387563556.db2.gz JGSPKMSJEKXKPQ-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2ccccn2)o1 ZINC000355655944 387563560 /nfs/dbraw/zinc/56/35/60/387563560.db2.gz JGSPKMSJEKXKPQ-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO CC1(C)C[N@H+](Cc2cscn2)C[C@H]1O ZINC000279953038 387570129 /nfs/dbraw/zinc/57/01/29/387570129.db2.gz XVTUGAWZFBUGEW-SECBINFHSA-N 1 2 212.318 1.346 20 0 BDADLO CC1(C)C[N@@H+](Cc2cscn2)C[C@H]1O ZINC000279953038 387570131 /nfs/dbraw/zinc/57/01/31/387570131.db2.gz XVTUGAWZFBUGEW-SECBINFHSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000332773127 387574650 /nfs/dbraw/zinc/57/46/50/387574650.db2.gz IYSLMUBBYTTYID-SCZZXKLOSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000332773127 387574657 /nfs/dbraw/zinc/57/46/57/387574657.db2.gz IYSLMUBBYTTYID-SCZZXKLOSA-N 1 2 233.315 1.429 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362574322 387632819 /nfs/dbraw/zinc/63/28/19/387632819.db2.gz CXIGEMFSGZMCOZ-NWDGAFQWSA-N 1 2 239.315 1.049 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362574322 387632822 /nfs/dbraw/zinc/63/28/22/387632822.db2.gz CXIGEMFSGZMCOZ-NWDGAFQWSA-N 1 2 239.315 1.049 20 0 BDADLO Cc1cnc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2=O)o1 ZINC000356278382 387637954 /nfs/dbraw/zinc/63/79/54/387637954.db2.gz WGDREHRZJPLKIS-GXSJLCMTSA-N 1 2 249.314 1.397 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnc(C)c2)no1 ZINC000527644334 387651749 /nfs/dbraw/zinc/65/17/49/387651749.db2.gz CXNINDCGWVZNAK-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000125347769 387653777 /nfs/dbraw/zinc/65/37/77/387653777.db2.gz PIXNNSVBNSLHPC-DTWKUNHWSA-N 1 2 239.344 1.730 20 0 BDADLO C[C@H](CNC(=O)C[C@H]1C[C@H]1C)Cn1cc[nH+]c1 ZINC000362818965 387662012 /nfs/dbraw/zinc/66/20/12/387662012.db2.gz WNZYIZQVQNFJRZ-IJLUTSLNSA-N 1 2 235.331 1.682 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000356509260 387666383 /nfs/dbraw/zinc/66/63/83/387666383.db2.gz CTOASENSTITKLX-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000356509260 387666385 /nfs/dbraw/zinc/66/63/85/387666385.db2.gz CTOASENSTITKLX-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000356509261 387667019 /nfs/dbraw/zinc/66/70/19/387667019.db2.gz CTOASENSTITKLX-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000356509261 387667023 /nfs/dbraw/zinc/66/70/23/387667023.db2.gz CTOASENSTITKLX-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000422778158 387674454 /nfs/dbraw/zinc/67/44/54/387674454.db2.gz AGUDNOYIECXZDK-ZYHUDNBSSA-N 1 2 249.314 1.494 20 0 BDADLO CCOCCN1CC[N@H+](C[C@H](F)CC)C[C@H]1C ZINC000440709906 387678300 /nfs/dbraw/zinc/67/83/00/387678300.db2.gz FKAAOGWWROTJFY-CHWSQXEVSA-N 1 2 246.370 1.777 20 0 BDADLO CCOCCN1CC[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC000440709906 387678305 /nfs/dbraw/zinc/67/83/05/387678305.db2.gz FKAAOGWWROTJFY-CHWSQXEVSA-N 1 2 246.370 1.777 20 0 BDADLO CCOCCN1CC[N@H+](C[C@H](F)CC)C[C@@H]1C ZINC000440709908 387679332 /nfs/dbraw/zinc/67/93/32/387679332.db2.gz FKAAOGWWROTJFY-QWHCGFSZSA-N 1 2 246.370 1.777 20 0 BDADLO CCOCCN1CC[N@@H+](C[C@H](F)CC)C[C@@H]1C ZINC000440709908 387679336 /nfs/dbraw/zinc/67/93/36/387679336.db2.gz FKAAOGWWROTJFY-QWHCGFSZSA-N 1 2 246.370 1.777 20 0 BDADLO CC[NH+](CC)Cc1ncnn1CC(F)F ZINC000362959675 387679638 /nfs/dbraw/zinc/67/96/38/387679638.db2.gz CFWGLEWNVPODPW-UHFFFAOYSA-N 1 2 218.251 1.385 20 0 BDADLO Cn1nnc(C[NH2+]C/C=C\c2ccc(F)cc2)n1 ZINC000362960367 387679663 /nfs/dbraw/zinc/67/96/63/387679663.db2.gz MUELMGBCFAUIRE-IHWYPQMZSA-N 1 2 247.277 1.152 20 0 BDADLO CC[C@@H](F)C[N@H+](C)CC(=O)N(CC)CC ZINC000440718292 387681953 /nfs/dbraw/zinc/68/19/53/387681953.db2.gz USYBZJXIFUDPBR-SNVBAGLBSA-N 1 2 218.316 1.535 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)CC(=O)N(CC)CC ZINC000440718292 387681957 /nfs/dbraw/zinc/68/19/57/387681957.db2.gz USYBZJXIFUDPBR-SNVBAGLBSA-N 1 2 218.316 1.535 20 0 BDADLO COC[C@@H](O)CCNc1cc[nH+]c(C(C)C)n1 ZINC000123329009 387683309 /nfs/dbraw/zinc/68/33/09/387683309.db2.gz ZEGDCLLBZPKGCX-JTQLQIEISA-N 1 2 239.319 1.409 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000356641845 387683281 /nfs/dbraw/zinc/68/32/81/387683281.db2.gz IWQXJCKILJQADM-LBPRGKRZSA-N 1 2 235.331 1.610 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363202902 387696491 /nfs/dbraw/zinc/69/64/91/387696491.db2.gz ZJYSKIBJMFDTGB-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO C[N@H+](Cc1ncnn1CCF)[C@@H]1CCSC1 ZINC000440771687 387688521 /nfs/dbraw/zinc/68/85/21/387688521.db2.gz DDFIAWQNPMJCCC-SECBINFHSA-N 1 2 244.339 1.185 20 0 BDADLO C[N@@H+](Cc1ncnn1CCF)[C@@H]1CCSC1 ZINC000440771687 387688526 /nfs/dbraw/zinc/68/85/26/387688526.db2.gz DDFIAWQNPMJCCC-SECBINFHSA-N 1 2 244.339 1.185 20 0 BDADLO CC[C@@H](F)C[N@H+](C)C(C)(C)C(=O)OC ZINC000440768124 387688674 /nfs/dbraw/zinc/68/86/74/387688674.db2.gz VZZYNXHSJGHHPR-MRVPVSSYSA-N 1 2 205.273 1.618 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)C(C)(C)C(=O)OC ZINC000440768124 387688676 /nfs/dbraw/zinc/68/86/76/387688676.db2.gz VZZYNXHSJGHHPR-MRVPVSSYSA-N 1 2 205.273 1.618 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cnccc1CO ZINC000424140317 387689362 /nfs/dbraw/zinc/68/93/62/387689362.db2.gz FIZGFTXSVSWNGG-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000356655342 387689519 /nfs/dbraw/zinc/68/95/19/387689519.db2.gz DCKNYCHJTJGIEI-VHSXEESVSA-N 1 2 239.294 1.310 20 0 BDADLO CC[C@@H](F)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000440777046 387691870 /nfs/dbraw/zinc/69/18/70/387691870.db2.gz DYKHXUJLPAVNAN-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000440777046 387691875 /nfs/dbraw/zinc/69/18/75/387691875.db2.gz DYKHXUJLPAVNAN-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO COC[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000363169600 387693878 /nfs/dbraw/zinc/69/38/78/387693878.db2.gz UDRSFFAVADZCEV-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO COC[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000363169600 387693881 /nfs/dbraw/zinc/69/38/81/387693881.db2.gz UDRSFFAVADZCEV-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C)s2)[C@H](C)C1 ZINC000441346881 387750483 /nfs/dbraw/zinc/75/04/83/387750483.db2.gz LERISTFHFHJDRD-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C)s2)[C@H](C)C1 ZINC000441346881 387750488 /nfs/dbraw/zinc/75/04/88/387750488.db2.gz LERISTFHFHJDRD-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO CNC(=O)C1CCN(c2[nH+]cccc2OC)CC1 ZINC000527837815 387750706 /nfs/dbraw/zinc/75/07/06/387750706.db2.gz YOCDGSBYLBOSKN-UHFFFAOYSA-N 1 2 249.314 1.053 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441367154 387750781 /nfs/dbraw/zinc/75/07/81/387750781.db2.gz PJYPEQPPHACEKH-QWRGUYRKSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441367154 387750788 /nfs/dbraw/zinc/75/07/88/387750788.db2.gz PJYPEQPPHACEKH-QWRGUYRKSA-N 1 2 238.335 1.297 20 0 BDADLO C[C@@H](O)C[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000367773279 387751719 /nfs/dbraw/zinc/75/17/19/387751719.db2.gz SWWZAIKTRHQKPL-ZCFIWIBFSA-N 1 2 247.245 1.357 20 0 BDADLO C[C@H](F)CCNC(=O)CCn1cc[nH+]c1 ZINC000356680124 387698327 /nfs/dbraw/zinc/69/83/27/387698327.db2.gz VLHQRPZOAVKMBA-VIFPVBQESA-N 1 2 213.256 1.138 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000452027797 387705923 /nfs/dbraw/zinc/70/59/23/387705923.db2.gz WFHGVRJPZLOMNI-NXEZZACHSA-N 1 2 225.292 1.425 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2n[nH]c(=O)[nH]2)cc1C ZINC000452042757 387710806 /nfs/dbraw/zinc/71/08/06/387710806.db2.gz MTOKKALKJURQSM-UHFFFAOYSA-N 1 2 246.314 1.759 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)[nH]2)cc1C ZINC000452042757 387710812 /nfs/dbraw/zinc/71/08/12/387710812.db2.gz MTOKKALKJURQSM-UHFFFAOYSA-N 1 2 246.314 1.759 20 0 BDADLO O=C(COc1cc[nH+]cc1)NC(C1CC1)C1CC1 ZINC000431488606 387713560 /nfs/dbraw/zinc/71/35/60/387713560.db2.gz DSOAIBPPFIZFBR-UHFFFAOYSA-N 1 2 246.310 1.765 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)CCCO ZINC000440949178 387715843 /nfs/dbraw/zinc/71/58/43/387715843.db2.gz OGGYACSPFMXRBF-SNVBAGLBSA-N 1 2 243.328 1.276 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CCCO ZINC000440949178 387715848 /nfs/dbraw/zinc/71/58/48/387715848.db2.gz OGGYACSPFMXRBF-SNVBAGLBSA-N 1 2 243.328 1.276 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCCO2)no1 ZINC000377492544 387720575 /nfs/dbraw/zinc/72/05/75/387720575.db2.gz FDTQGWVORRCJNH-UWVGGRQHSA-N 1 2 223.276 1.386 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCO2)no1 ZINC000377492544 387720587 /nfs/dbraw/zinc/72/05/87/387720587.db2.gz FDTQGWVORRCJNH-UWVGGRQHSA-N 1 2 223.276 1.386 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)CF ZINC000356792417 387721365 /nfs/dbraw/zinc/72/13/65/387721365.db2.gz IKUKMUFTBAHDOW-UHFFFAOYSA-N 1 2 227.283 1.217 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000422844384 387731390 /nfs/dbraw/zinc/73/13/90/387731390.db2.gz LPJGQHVBZBFONR-TUAOUCFPSA-N 1 2 222.336 1.002 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc2n1CCCC2 ZINC000367631799 387736086 /nfs/dbraw/zinc/73/60/86/387736086.db2.gz FOEKEVNLXRKTFY-SNVBAGLBSA-N 1 2 238.335 1.081 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000367631799 387736093 /nfs/dbraw/zinc/73/60/93/387736093.db2.gz FOEKEVNLXRKTFY-SNVBAGLBSA-N 1 2 238.335 1.081 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)CC1 ZINC000367667432 387741043 /nfs/dbraw/zinc/74/10/43/387741043.db2.gz BALGRCRTCIXLBR-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)CC1 ZINC000367667432 387741048 /nfs/dbraw/zinc/74/10/48/387741048.db2.gz BALGRCRTCIXLBR-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO COc1ccc[nH+]c1N1CCCO[C@@H](C)C1 ZINC000527881842 387771551 /nfs/dbraw/zinc/77/15/51/387771551.db2.gz PLXDYHNOQCQMEV-JTQLQIEISA-N 1 2 222.288 1.705 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378304106 387774900 /nfs/dbraw/zinc/77/49/00/387774900.db2.gz CJKPWVGMEGXAKU-ISTVAULSSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378304106 387774905 /nfs/dbraw/zinc/77/49/05/387774905.db2.gz CJKPWVGMEGXAKU-ISTVAULSSA-N 1 2 247.342 1.819 20 0 BDADLO c1cn(CCN2CCC[C@@H]2c2ncon2)c[nH+]1 ZINC000378327100 387776942 /nfs/dbraw/zinc/77/69/42/387776942.db2.gz BHXZHNDWHSVHHO-SNVBAGLBSA-N 1 2 233.275 1.103 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC=C(c2cccnc2)CC1 ZINC000378346266 387777946 /nfs/dbraw/zinc/77/79/46/387777946.db2.gz DSAVSCBAAIARPZ-ZDUSSCGKSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000378346266 387777952 /nfs/dbraw/zinc/77/79/52/387777952.db2.gz DSAVSCBAAIARPZ-ZDUSSCGKSA-N 1 2 244.294 1.486 20 0 BDADLO COc1ccc[nH+]c1N1CCOC2(CCC2)C1 ZINC000527946432 387783511 /nfs/dbraw/zinc/78/35/11/387783511.db2.gz WAWGAOHWEQYWKO-UHFFFAOYSA-N 1 2 234.299 1.850 20 0 BDADLO Cc1cc(N2CC[C@@H]([C@H]3CCOC3)C2)nc[nH+]1 ZINC000441955662 387784125 /nfs/dbraw/zinc/78/41/25/387784125.db2.gz RJDWOSHYRSPNCU-NEPJUHHUSA-N 1 2 233.315 1.648 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000049956507 387790100 /nfs/dbraw/zinc/79/01/00/387790100.db2.gz YYZZMLOLSKDOFZ-SNVBAGLBSA-N 1 2 237.299 1.689 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000049956507 387790105 /nfs/dbraw/zinc/79/01/05/387790105.db2.gz YYZZMLOLSKDOFZ-SNVBAGLBSA-N 1 2 237.299 1.689 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)[nH]n1 ZINC000422991876 387799599 /nfs/dbraw/zinc/79/95/99/387799599.db2.gz QGYDJSZMVKAQFH-KWBADKCTSA-N 1 2 236.363 1.237 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)n[nH]1 ZINC000422991876 387799604 /nfs/dbraw/zinc/79/96/04/387799604.db2.gz QGYDJSZMVKAQFH-KWBADKCTSA-N 1 2 236.363 1.237 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335700 387804239 /nfs/dbraw/zinc/80/42/39/387804239.db2.gz RIYNKTXQQYBIIK-NXEZZACHSA-N 1 2 249.314 1.583 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC12CC2 ZINC000527988344 387804297 /nfs/dbraw/zinc/80/42/97/387804297.db2.gz XFUVJICAXSHCEV-NWDGAFQWSA-N 1 2 247.342 1.968 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CCCC(=O)N1 ZINC000527991854 387805339 /nfs/dbraw/zinc/80/53/39/387805339.db2.gz LOUOFGNTXQVAQC-SECBINFHSA-N 1 2 235.287 1.171 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334419 387805567 /nfs/dbraw/zinc/80/55/67/387805567.db2.gz MQMJZQWVVWLBAK-SECBINFHSA-N 1 2 237.303 1.583 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1cscn1 ZINC000193896788 387806309 /nfs/dbraw/zinc/80/63/09/387806309.db2.gz LIWCCDOQZKBIJR-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC000193896788 387806316 /nfs/dbraw/zinc/80/63/16/387806316.db2.gz LIWCCDOQZKBIJR-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCCCCC1 ZINC000134332997 387808104 /nfs/dbraw/zinc/80/81/04/387808104.db2.gz LMNQTBKXZMBBAV-UHFFFAOYSA-N 1 2 236.319 1.506 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOCC2CC2)o1 ZINC000309508093 387811643 /nfs/dbraw/zinc/81/16/43/387811643.db2.gz WMFGUFNIWZRNRW-MRVPVSSYSA-N 1 2 225.292 1.455 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nccc(N)n2)o1 ZINC000564097199 387827725 /nfs/dbraw/zinc/82/77/25/387827725.db2.gz WTXHACDHSYZVLP-JTQLQIEISA-N 1 2 246.314 1.984 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2nccc(N)n2)o1 ZINC000564097199 387827728 /nfs/dbraw/zinc/82/77/28/387827728.db2.gz WTXHACDHSYZVLP-JTQLQIEISA-N 1 2 246.314 1.984 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000054858741 387829440 /nfs/dbraw/zinc/82/94/40/387829440.db2.gz BWNSHMHOERUMSP-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CCC1(O)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000432828731 387830616 /nfs/dbraw/zinc/83/06/16/387830616.db2.gz MDYKYNRVOYOJNQ-UHFFFAOYSA-N 1 2 232.287 1.227 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](OC)[C@@H](C)C1 ZINC000528030723 387833645 /nfs/dbraw/zinc/83/36/45/387833645.db2.gz LJBNTHREZUCGFB-QWRGUYRKSA-N 1 2 236.315 1.951 20 0 BDADLO CSCCC[N@H+](CCO)CC(F)F ZINC000194856565 387834761 /nfs/dbraw/zinc/83/47/61/387834761.db2.gz UCJMJUXCTNNBBS-UHFFFAOYSA-N 1 2 213.293 1.299 20 0 BDADLO CSCCC[N@@H+](CCO)CC(F)F ZINC000194856565 387834763 /nfs/dbraw/zinc/83/47/63/387834763.db2.gz UCJMJUXCTNNBBS-UHFFFAOYSA-N 1 2 213.293 1.299 20 0 BDADLO OC1CC(CC[NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000432881993 387835179 /nfs/dbraw/zinc/83/51/79/387835179.db2.gz VERGEPPPUSOVQQ-UHFFFAOYSA-N 1 2 231.299 1.558 20 0 BDADLO O=C(C1CC1)N1CCC[N@H+](Cc2cocn2)CC1 ZINC000432914355 387840199 /nfs/dbraw/zinc/84/01/99/387840199.db2.gz AULIEWXMAUTQLJ-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO O=C(C1CC1)N1CCC[N@@H+](Cc2cocn2)CC1 ZINC000432914355 387840201 /nfs/dbraw/zinc/84/02/01/387840201.db2.gz AULIEWXMAUTQLJ-UHFFFAOYSA-N 1 2 249.314 1.119 20 0 BDADLO Cc1noc(C23CC(C2)CN3c2cccc[nH+]2)n1 ZINC000528064869 387841269 /nfs/dbraw/zinc/84/12/69/387841269.db2.gz DZEJBGRFPRQGKV-UHFFFAOYSA-N 1 2 242.282 1.899 20 0 BDADLO O[C@@H](CNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000528134310 387850645 /nfs/dbraw/zinc/85/06/45/387850645.db2.gz ZJZLMTCEMNJYKM-UWVGGRQHSA-N 1 2 208.261 1.033 20 0 BDADLO C[C@]1(C(=O)Nc2c[nH+]c3n2CCCC3)CCCO1 ZINC000582587824 387859118 /nfs/dbraw/zinc/85/91/18/387859118.db2.gz SEBSDQAUOHLKQC-CYBMUJFWSA-N 1 2 249.314 1.727 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1[nH]c(C)cc1C ZINC000452571792 387861630 /nfs/dbraw/zinc/86/16/30/387861630.db2.gz PWAVSLNKKUXKFO-UHFFFAOYSA-N 1 2 246.314 1.778 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)C(C)C ZINC000452574094 387862668 /nfs/dbraw/zinc/86/26/68/387862668.db2.gz MSCWWBAKWCYVQP-JTQLQIEISA-N 1 2 223.320 1.811 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2ccn(C)n2)cn1 ZINC000236102914 387874634 /nfs/dbraw/zinc/87/46/34/387874634.db2.gz CGXIEQRLASWCTN-UHFFFAOYSA-N 1 2 217.276 1.007 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193867632 387866726 /nfs/dbraw/zinc/86/67/26/387866726.db2.gz LXXOUZJEVNLQDJ-UWVGGRQHSA-N 1 2 237.303 1.151 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193867632 387866730 /nfs/dbraw/zinc/86/67/30/387866730.db2.gz LXXOUZJEVNLQDJ-UWVGGRQHSA-N 1 2 237.303 1.151 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000433137669 387869719 /nfs/dbraw/zinc/86/97/19/387869719.db2.gz USCIKIIPHPRQKZ-ULKQDVFKSA-N 1 2 247.298 1.031 20 0 BDADLO Cn1nnc(C[NH2+][C@H]2CCCc3ccccc32)n1 ZINC000236149545 387874775 /nfs/dbraw/zinc/87/47/75/387874775.db2.gz YINJGMRMTWLEJL-LBPRGKRZSA-N 1 2 243.314 1.377 20 0 BDADLO O=C(NC1CC[NH+](Cc2cocn2)CC1)C1CC1 ZINC000432753751 387814652 /nfs/dbraw/zinc/81/46/52/387814652.db2.gz GAWSTQXHQDTSRU-UHFFFAOYSA-N 1 2 249.314 1.165 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]c(C3CC3)n2)no1 ZINC000564081216 387819160 /nfs/dbraw/zinc/81/91/60/387819160.db2.gz UETXGJTZBAQBSI-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)co1 ZINC000444622922 387894461 /nfs/dbraw/zinc/89/44/61/387894461.db2.gz XCTDHZDMMBDCOB-UHFFFAOYSA-N 1 2 245.282 1.825 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cccnc2C)n1 ZINC000424183720 387897224 /nfs/dbraw/zinc/89/72/24/387897224.db2.gz CAMRCCKXALXURM-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO CC[C@@](C)(CNC(=O)CCn1cc[nH+]c1)OC ZINC000452720553 387897616 /nfs/dbraw/zinc/89/76/16/387897616.db2.gz FTFPCZPWRDMERG-LBPRGKRZSA-N 1 2 239.319 1.205 20 0 BDADLO CCOCC[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000444650036 387898590 /nfs/dbraw/zinc/89/85/90/387898590.db2.gz BRJIUFOREFUFJQ-JTQLQIEISA-N 1 2 239.306 1.749 20 0 BDADLO CCOCC[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000444650036 387898592 /nfs/dbraw/zinc/89/85/92/387898592.db2.gz BRJIUFOREFUFJQ-JTQLQIEISA-N 1 2 239.306 1.749 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cccnc1C(F)(F)F ZINC000528351577 387906390 /nfs/dbraw/zinc/90/63/90/387906390.db2.gz QDWMSUJSOWAFBE-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cccnc1C(F)(F)F ZINC000528351577 387906394 /nfs/dbraw/zinc/90/63/94/387906394.db2.gz QDWMSUJSOWAFBE-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO CCC[N@H+](CC)Cc1coc(S(C)(=O)=O)c1 ZINC000528357824 387909251 /nfs/dbraw/zinc/90/92/51/387909251.db2.gz CUHKHRXODMYXMQ-UHFFFAOYSA-N 1 2 245.344 1.915 20 0 BDADLO CCC[N@@H+](CC)Cc1coc(S(C)(=O)=O)c1 ZINC000528357824 387909255 /nfs/dbraw/zinc/90/92/55/387909255.db2.gz CUHKHRXODMYXMQ-UHFFFAOYSA-N 1 2 245.344 1.915 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000452765701 387909629 /nfs/dbraw/zinc/90/96/29/387909629.db2.gz LMECZPPYQTWBER-UTUOFQBUSA-N 1 2 247.342 1.608 20 0 BDADLO C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444699589 387912363 /nfs/dbraw/zinc/91/23/63/387912363.db2.gz DWOBJLXPDWPBOS-HFKOZYHYSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444699589 387912365 /nfs/dbraw/zinc/91/23/65/387912365.db2.gz DWOBJLXPDWPBOS-HFKOZYHYSA-N 1 2 243.253 1.063 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(c1)OCCO2 ZINC000078469781 387927021 /nfs/dbraw/zinc/92/70/21/387927021.db2.gz GQKAQSJHYKNTEP-UHFFFAOYSA-N 1 2 245.282 1.803 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCc2ncsc2C1 ZINC000438363370 387928979 /nfs/dbraw/zinc/92/89/79/387928979.db2.gz KTLRKWFLLKDNOV-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCc2ncsc2C1 ZINC000438363370 387928982 /nfs/dbraw/zinc/92/89/82/387928982.db2.gz KTLRKWFLLKDNOV-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO COC[C@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC000450606359 387942049 /nfs/dbraw/zinc/94/20/49/387942049.db2.gz TZTQDECFCOVMMK-GFCCVEGCSA-N 1 2 221.304 1.648 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)C1CC1 ZINC000438853328 387958997 /nfs/dbraw/zinc/95/89/97/387958997.db2.gz OTLSCBWSPQKWOJ-WISYIIOYSA-N 1 2 239.315 1.095 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)o1 ZINC000245552277 387960179 /nfs/dbraw/zinc/96/01/79/387960179.db2.gz COEJPWSGXLIRGN-QWHCGFSZSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)o1 ZINC000245552277 387960186 /nfs/dbraw/zinc/96/01/86/387960186.db2.gz COEJPWSGXLIRGN-QWHCGFSZSA-N 1 2 248.326 1.831 20 0 BDADLO O=C(CC1CCC1)NCCNc1cccc[nH+]1 ZINC000438941175 387966164 /nfs/dbraw/zinc/96/61/64/387966164.db2.gz DTOMZHGKKZEVTC-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423183786 387970608 /nfs/dbraw/zinc/97/06/08/387970608.db2.gz HQMUIUVBZPBVER-IONNQARKSA-N 1 2 239.344 1.305 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)NCC2CC2)CC(C)(C)O1 ZINC000065423994 387971614 /nfs/dbraw/zinc/97/16/14/387971614.db2.gz XBKLSZSXKRDCQB-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC(C)(C)O1 ZINC000065423994 387971620 /nfs/dbraw/zinc/97/16/20/387971620.db2.gz XBKLSZSXKRDCQB-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC[C@@H]1CCOC1 ZINC000645880596 387957438 /nfs/dbraw/zinc/95/74/38/387957438.db2.gz SEDVJBMQWKGYOU-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC[C@@H]1CCOC1 ZINC000645880596 387957443 /nfs/dbraw/zinc/95/74/43/387957443.db2.gz SEDVJBMQWKGYOU-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nc(NCc2c[nH+]c3c(C)cccn23)n[nH]1 ZINC000453051454 387973806 /nfs/dbraw/zinc/97/38/06/387973806.db2.gz YYVMELNHDIXEHR-UHFFFAOYSA-N 1 2 242.286 1.103 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548096610 387986066 /nfs/dbraw/zinc/98/60/66/387986066.db2.gz AGPSWVANQZAXHE-NHCYSSNCSA-N 1 2 234.299 1.778 20 0 BDADLO CCn1ccnc1[C@H](C)NCC[NH+]1CCC1 ZINC000453166130 388001359 /nfs/dbraw/zinc/00/13/59/388001359.db2.gz HHJQWBJOANMUDN-NSHDSACASA-N 1 2 222.336 1.259 20 0 BDADLO Cn1c[nH+]cc1Cn1ncc2ccccc2c1=O ZINC000439551431 388009259 /nfs/dbraw/zinc/00/92/59/388009259.db2.gz RYVOCNTVVUJVKP-UHFFFAOYSA-N 1 2 240.266 1.178 20 0 BDADLO CNC(=O)c1cccc(OCc2c[nH+]cn2C)c1 ZINC000439562520 388010078 /nfs/dbraw/zinc/01/00/78/388010078.db2.gz RTXQVYQJPGZMBI-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO Cn1c[nH+]cc1Cn1cnc2sccc2c1=O ZINC000439553064 388010308 /nfs/dbraw/zinc/01/03/08/388010308.db2.gz UXEWSLWIFPKDBB-UHFFFAOYSA-N 1 2 246.295 1.240 20 0 BDADLO CCCO[C@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000450398408 388031057 /nfs/dbraw/zinc/03/10/57/388031057.db2.gz YJBOWCGNGCVTKS-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000450398408 388031059 /nfs/dbraw/zinc/03/10/59/388031059.db2.gz YJBOWCGNGCVTKS-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC000450398408 388031062 /nfs/dbraw/zinc/03/10/62/388031062.db2.gz YJBOWCGNGCVTKS-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@H]1CCC[N@@H+](Cc2cnn[nH]2)CC1 ZINC000450398408 388031065 /nfs/dbraw/zinc/03/10/65/388031065.db2.gz YJBOWCGNGCVTKS-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000450398408 388031070 /nfs/dbraw/zinc/03/10/70/388031070.db2.gz YJBOWCGNGCVTKS-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCCO[C@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000450398408 388031072 /nfs/dbraw/zinc/03/10/72/388031072.db2.gz YJBOWCGNGCVTKS-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)[C@@H]1C ZINC000423281977 388063376 /nfs/dbraw/zinc/06/33/76/388063376.db2.gz VPNLCVAJWHMMJN-MRTMQBJTSA-N 1 2 239.344 1.400 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423284781 388067007 /nfs/dbraw/zinc/06/70/07/388067007.db2.gz YKFDXECHHUAANG-KHQFGBGNSA-N 1 2 239.344 1.448 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cnc(C)s1 ZINC000083977801 388068269 /nfs/dbraw/zinc/06/82/69/388068269.db2.gz BLYMCWQPSTYZFJ-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CC[NH+](CC)Cc1ncnn1CCF ZINC000440702253 388071303 /nfs/dbraw/zinc/07/13/03/388071303.db2.gz CVIQRLXRDAMFPO-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085673507 388093108 /nfs/dbraw/zinc/09/31/08/388093108.db2.gz WFDFENGQCWUWEQ-MMWGEVLESA-N 1 2 241.331 1.341 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C)C(=O)OC ZINC000447799224 388093619 /nfs/dbraw/zinc/09/36/19/388093619.db2.gz GNMZMJRDXGITJF-UKKRHICBSA-N 1 2 243.347 1.587 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2nncn2C)[C@H]1C ZINC000118411697 388095577 /nfs/dbraw/zinc/09/55/77/388095577.db2.gz LVSCHAOEKSOIAS-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2nncn2C)[C@H]1C ZINC000118411697 388095579 /nfs/dbraw/zinc/09/55/79/388095579.db2.gz LVSCHAOEKSOIAS-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@]2(C)CCCO2)[nH+]1 ZINC000447048552 388049404 /nfs/dbraw/zinc/04/94/04/388049404.db2.gz QAXSMQLTCAOXDU-ZDUSSCGKSA-N 1 2 246.314 1.669 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OC ZINC000449255191 388163675 /nfs/dbraw/zinc/16/36/75/388163675.db2.gz BJJKOYYHSJQSGX-VPOLOUISSA-N 1 2 229.320 1.484 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1[nH+]ccn1CC ZINC000195519085 388165137 /nfs/dbraw/zinc/16/51/37/388165137.db2.gz VEQDEXTWEPHOMW-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CC(C)(C)C)C(=O)OC ZINC000449275659 388165318 /nfs/dbraw/zinc/16/53/18/388165318.db2.gz NWHBQLVQWPYHCF-ZJUUUORDSA-N 1 2 231.336 1.589 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(C)cc1OC ZINC000449277159 388166573 /nfs/dbraw/zinc/16/65/73/388166573.db2.gz DWTFAGHQFFEGBE-UHFFFAOYSA-N 1 2 236.315 1.311 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(C)cc1OC ZINC000449277159 388166575 /nfs/dbraw/zinc/16/65/75/388166575.db2.gz DWTFAGHQFFEGBE-UHFFFAOYSA-N 1 2 236.315 1.311 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cn1 ZINC000646261312 388171961 /nfs/dbraw/zinc/17/19/61/388171961.db2.gz BYXPYGONNITRDG-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000646261312 388171963 /nfs/dbraw/zinc/17/19/63/388171963.db2.gz BYXPYGONNITRDG-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO O=C(Cc1ccco1)N1CCc2[nH]c[nH+]c2C1 ZINC000646260435 388171987 /nfs/dbraw/zinc/17/19/87/388171987.db2.gz HOHAEINKTWMOGY-UHFFFAOYSA-N 1 2 231.255 1.130 20 0 BDADLO O=C(Cc1ccco1)N1CCc2[nH+]c[nH]c2C1 ZINC000646260435 388171988 /nfs/dbraw/zinc/17/19/88/388171988.db2.gz HOHAEINKTWMOGY-UHFFFAOYSA-N 1 2 231.255 1.130 20 0 BDADLO FCC(CF)[NH2+]Cc1cncc(F)c1 ZINC000449378131 388188309 /nfs/dbraw/zinc/18/83/09/388188309.db2.gz CIXFGMSIHIPZIL-UHFFFAOYSA-N 1 2 204.195 1.618 20 0 BDADLO Cc1ncc(C[N@@H+](C(C)C)C2COC2)cn1 ZINC000449349340 388179084 /nfs/dbraw/zinc/17/90/84/388179084.db2.gz FMLSZASJODVYIA-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@H+](C(C)C)C2COC2)cn1 ZINC000449349340 388179085 /nfs/dbraw/zinc/17/90/85/388179085.db2.gz FMLSZASJODVYIA-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO CC[C@H]([NH2+]Cc1cnc(N(C)C)nc1)C(F)F ZINC000449356587 388180701 /nfs/dbraw/zinc/18/07/01/388180701.db2.gz AJEUHEQHGMDABS-VIFPVBQESA-N 1 2 244.289 1.676 20 0 BDADLO CC[C@H]([NH2+]Cc1cnc2cnccn12)C(F)F ZINC000449359299 388181604 /nfs/dbraw/zinc/18/16/04/388181604.db2.gz HJLJHVDNFLLKCO-VIFPVBQESA-N 1 2 240.257 1.863 20 0 BDADLO CCn1nnc(C)c1C[N@H+](C)Cc1ccoc1 ZINC000449013236 388130279 /nfs/dbraw/zinc/13/02/79/388130279.db2.gz BQWIOBZTWSSTLV-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1nnc(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000449013236 388130281 /nfs/dbraw/zinc/13/02/81/388130281.db2.gz BQWIOBZTWSSTLV-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO COc1nccnc1C[N@H+](C)CCSC ZINC000449025296 388131230 /nfs/dbraw/zinc/13/12/30/388131230.db2.gz BAICDTFYOJIYNB-UHFFFAOYSA-N 1 2 227.333 1.280 20 0 BDADLO COc1nccnc1C[N@@H+](C)CCSC ZINC000449025296 388131231 /nfs/dbraw/zinc/13/12/31/388131231.db2.gz BAICDTFYOJIYNB-UHFFFAOYSA-N 1 2 227.333 1.280 20 0 BDADLO O=C(C[C@@H]1CCOC1)Nc1ccn2cc[nH+]c2c1 ZINC000646046881 388131664 /nfs/dbraw/zinc/13/16/64/388131664.db2.gz XNJQXNLFGVXPJW-JTQLQIEISA-N 1 2 245.282 1.699 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2cccn2C)n1 ZINC000449025311 388132169 /nfs/dbraw/zinc/13/21/69/388132169.db2.gz BESDUHISXLRDNA-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2cccn2C)n1 ZINC000449025311 388132171 /nfs/dbraw/zinc/13/21/71/388132171.db2.gz BESDUHISXLRDNA-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2nnnn2C)c1 ZINC000449048573 388135734 /nfs/dbraw/zinc/13/57/34/388135734.db2.gz PXAPUSHEWUCOOU-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2nnnn2C)c1 ZINC000449048573 388135736 /nfs/dbraw/zinc/13/57/36/388135736.db2.gz PXAPUSHEWUCOOU-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO CC/C=C\CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000454968334 388143574 /nfs/dbraw/zinc/14/35/74/388143574.db2.gz HBCRBQBNNHWHSM-UMBAGQNISA-N 1 2 248.330 1.532 20 0 BDADLO CC/C=C\CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000454968334 388143575 /nfs/dbraw/zinc/14/35/75/388143575.db2.gz HBCRBQBNNHWHSM-UMBAGQNISA-N 1 2 248.330 1.532 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000449387188 388190485 /nfs/dbraw/zinc/19/04/85/388190485.db2.gz KVQOCGJIHOHDMV-SNVBAGLBSA-N 1 2 224.283 1.086 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000449387188 388190487 /nfs/dbraw/zinc/19/04/87/388190487.db2.gz KVQOCGJIHOHDMV-SNVBAGLBSA-N 1 2 224.283 1.086 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@H](F)C2)cn1C ZINC000449398812 388194381 /nfs/dbraw/zinc/19/43/81/388194381.db2.gz YZHQDHVCSUATDP-JTQLQIEISA-N 1 2 240.278 1.356 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@H](F)C2)cn1C ZINC000449398812 388194382 /nfs/dbraw/zinc/19/43/82/388194382.db2.gz YZHQDHVCSUATDP-JTQLQIEISA-N 1 2 240.278 1.356 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C)on1 ZINC000456374279 388197544 /nfs/dbraw/zinc/19/75/44/388197544.db2.gz GJMWELURMSYJKN-SECBINFHSA-N 1 2 248.286 1.690 20 0 BDADLO CC(C)[C@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000450816161 388258797 /nfs/dbraw/zinc/25/87/97/388258797.db2.gz VNLXNUVLSLWPFT-SNVBAGLBSA-N 1 2 231.303 1.598 20 0 BDADLO CC[N@H+](Cc1cccc2c1OCO2)C1COC1 ZINC000449429068 388203025 /nfs/dbraw/zinc/20/30/25/388203025.db2.gz WKAXACBKAVHWSF-UHFFFAOYSA-N 1 2 235.283 1.636 20 0 BDADLO CC[N@@H+](Cc1cccc2c1OCO2)C1COC1 ZINC000449429068 388203028 /nfs/dbraw/zinc/20/30/28/388203028.db2.gz WKAXACBKAVHWSF-UHFFFAOYSA-N 1 2 235.283 1.636 20 0 BDADLO COCc1noc(C[N@H+](C)[C@H]2CC2(C)C)n1 ZINC000489449815 388215284 /nfs/dbraw/zinc/21/52/84/388215284.db2.gz OKSRILDMSBRHBK-QMMMGPOBSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1noc(C[N@@H+](C)[C@H]2CC2(C)C)n1 ZINC000489449815 388215286 /nfs/dbraw/zinc/21/52/86/388215286.db2.gz OKSRILDMSBRHBK-QMMMGPOBSA-N 1 2 225.292 1.446 20 0 BDADLO CC(C)(CF)NC(=O)CCc1[nH]cc[nH+]1 ZINC000517953650 256556935 /nfs/dbraw/zinc/55/69/35/256556935.db2.gz DMQAWSLZWNHEKH-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000489564334 388221557 /nfs/dbraw/zinc/22/15/57/388221557.db2.gz XUAZINKINJIQTH-JTQLQIEISA-N 1 2 239.290 1.862 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000489564334 388221558 /nfs/dbraw/zinc/22/15/58/388221558.db2.gz XUAZINKINJIQTH-JTQLQIEISA-N 1 2 239.290 1.862 20 0 BDADLO CC[C@@H](O)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456838125 388226651 /nfs/dbraw/zinc/22/66/51/388226651.db2.gz LGZGBIAAUISWBQ-GFCCVEGCSA-N 1 2 236.315 1.476 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H]2CCO)[nH+]1 ZINC000489997074 388230381 /nfs/dbraw/zinc/23/03/81/388230381.db2.gz XYFKLZSRUFNRKY-SNVBAGLBSA-N 1 2 246.314 1.618 20 0 BDADLO CC[C@@H]1CN(CC)CC[N@@H+]1Cc1cccn1C ZINC000449564632 388233956 /nfs/dbraw/zinc/23/39/56/388233956.db2.gz CGYMUHXSHHGOFM-CYBMUJFWSA-N 1 2 235.375 1.941 20 0 BDADLO CC[C@@H]1CN(CC)CC[N@H+]1Cc1cccn1C ZINC000449564632 388233958 /nfs/dbraw/zinc/23/39/58/388233958.db2.gz CGYMUHXSHHGOFM-CYBMUJFWSA-N 1 2 235.375 1.941 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CC(C(C)(C)C)C1)[C@@H](C)O ZINC000459514111 388245737 /nfs/dbraw/zinc/24/57/37/388245737.db2.gz RYXCYTRVPKLCSA-SFXRXQKFSA-N 1 2 243.347 1.323 20 0 BDADLO CC(C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449643682 388247565 /nfs/dbraw/zinc/24/75/65/388247565.db2.gz BZEINYTVOJPQRV-VIFPVBQESA-N 1 2 234.290 1.394 20 0 BDADLO CC(C)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449643681 388247801 /nfs/dbraw/zinc/24/78/01/388247801.db2.gz BZEINYTVOJPQRV-SECBINFHSA-N 1 2 234.290 1.394 20 0 BDADLO CCC[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449646622 388248318 /nfs/dbraw/zinc/24/83/18/388248318.db2.gz BTTNSJLHSPXHFD-ZJUUUORDSA-N 1 2 248.317 1.784 20 0 BDADLO COCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451613638 388284397 /nfs/dbraw/zinc/28/43/97/388284397.db2.gz YORPLENPWLPQOF-JTQLQIEISA-N 1 2 217.309 1.199 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)no1 ZINC000451784885 388295891 /nfs/dbraw/zinc/29/58/91/388295891.db2.gz UVFAXWUJCBPGOO-JTQLQIEISA-N 1 2 241.335 1.607 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](CO)CC(C)(C)C)no1 ZINC000451784885 388295893 /nfs/dbraw/zinc/29/58/93/388295893.db2.gz UVFAXWUJCBPGOO-JTQLQIEISA-N 1 2 241.335 1.607 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccncc1 ZINC000491461164 388296338 /nfs/dbraw/zinc/29/63/38/388296338.db2.gz BKYKODHLDOHUPC-IHWYPQMZSA-N 1 2 242.282 1.145 20 0 BDADLO CC(C)(C)/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000491839166 388324223 /nfs/dbraw/zinc/32/42/23/388324223.db2.gz RAPRIQAEKQHTJF-PLNGDYQASA-N 1 2 233.315 1.869 20 0 BDADLO CC(C)(C)/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000491866673 388325153 /nfs/dbraw/zinc/32/51/53/388325153.db2.gz LPDWVQGQOHDXLG-PLNGDYQASA-N 1 2 221.304 1.602 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)/C=C/C1CC1 ZINC000491947584 388329023 /nfs/dbraw/zinc/32/90/23/388329023.db2.gz ZAMKALQUTOKHBG-BQYQJAHWSA-N 1 2 245.326 1.730 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000451376197 388266634 /nfs/dbraw/zinc/26/66/34/388266634.db2.gz LLYMEUAFILMBKA-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451376197 388266637 /nfs/dbraw/zinc/26/66/37/388266637.db2.gz LLYMEUAFILMBKA-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@H](C)OC ZINC000492005947 388331003 /nfs/dbraw/zinc/33/10/03/388331003.db2.gz UWXQPNDUNVDGSE-PORFMDCZSA-N 1 2 237.303 1.067 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)[C@H]2C)[nH]1 ZINC000451454012 388274632 /nfs/dbraw/zinc/27/46/32/388274632.db2.gz JEFWEGOATKBSHX-ZJUUUORDSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)[C@H]2C)[nH]1 ZINC000451454012 388274633 /nfs/dbraw/zinc/27/46/33/388274633.db2.gz JEFWEGOATKBSHX-ZJUUUORDSA-N 1 2 238.335 1.273 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451508255 388278476 /nfs/dbraw/zinc/27/84/76/388278476.db2.gz MUQMWLRCDHXGMC-JMJZKYOTSA-N 1 2 229.320 1.199 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451508254 388278571 /nfs/dbraw/zinc/27/85/71/388278571.db2.gz MUQMWLRCDHXGMC-IEBDPFPHSA-N 1 2 229.320 1.199 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451508252 388278746 /nfs/dbraw/zinc/27/87/46/388278746.db2.gz MUQMWLRCDHXGMC-FBIMIBRVSA-N 1 2 229.320 1.199 20 0 BDADLO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ncn(C)n1 ZINC000275494933 388344860 /nfs/dbraw/zinc/34/48/60/388344860.db2.gz GIRNMOBGFKXJQR-ZJUUUORDSA-N 1 2 206.293 1.574 20 0 BDADLO CN(CC1CCC1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302902560 388346648 /nfs/dbraw/zinc/34/66/48/388346648.db2.gz UFGGLSOMODBTPU-UHFFFAOYSA-N 1 2 246.318 1.182 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1sccc1Cl ZINC000278353391 388355206 /nfs/dbraw/zinc/35/52/06/388355206.db2.gz IOKLXCJSOPWAJU-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO COC(=O)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353165886 135164947 /nfs/dbraw/zinc/16/49/47/135164947.db2.gz BPLGHGCLXRJUPU-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO COC(=O)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000353165886 135164948 /nfs/dbraw/zinc/16/49/48/135164948.db2.gz BPLGHGCLXRJUPU-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO Cc1[nH]c(C(=O)NCCOC(C)(C)C)c[nH+]1 ZINC000524696785 388374152 /nfs/dbraw/zinc/37/41/52/388374152.db2.gz FBFXSBGHYIDANA-UHFFFAOYSA-N 1 2 225.292 1.263 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000572815596 388378994 /nfs/dbraw/zinc/37/89/94/388378994.db2.gz NOMVZLRDPDMBDA-SNVBAGLBSA-N 1 2 237.351 1.704 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000572815596 388378996 /nfs/dbraw/zinc/37/89/96/388378996.db2.gz NOMVZLRDPDMBDA-SNVBAGLBSA-N 1 2 237.351 1.704 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCCC[C@@H]1O ZINC000572899540 388384001 /nfs/dbraw/zinc/38/40/01/388384001.db2.gz BOYJJOLLDDCTJV-NEPJUHHUSA-N 1 2 235.331 1.478 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCC(C)(C)O1 ZINC000572900051 388386396 /nfs/dbraw/zinc/38/63/96/388386396.db2.gz SYHFUBQMWNQCOG-NSHDSACASA-N 1 2 235.331 1.885 20 0 BDADLO CC[C@H]([NH3+])C(=O)NCc1ccc(C)cc1C ZINC000236913524 388386499 /nfs/dbraw/zinc/38/64/99/388386499.db2.gz KNYFTUVPSMNRDI-LBPRGKRZSA-N 1 2 220.316 1.657 20 0 BDADLO CC[C@H](CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000236924333 388386559 /nfs/dbraw/zinc/38/65/59/388386559.db2.gz HWWFWNZEELWHHI-LLVKDONJSA-N 1 2 212.337 1.491 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@H]1CCc2c1cccc2OC ZINC000236946914 388386828 /nfs/dbraw/zinc/38/68/28/388386828.db2.gz UPQHAKYKEQNQCW-RYUDHWBXSA-N 1 2 248.326 1.536 20 0 BDADLO CC[C@@H](CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000236916486 388387008 /nfs/dbraw/zinc/38/70/08/388387008.db2.gz HWWFWNZEELWHHI-NSHDSACASA-N 1 2 212.337 1.491 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn2ccsc2n1 ZINC000293621526 388390343 /nfs/dbraw/zinc/39/03/43/388390343.db2.gz QKJNEPRZIXOYAK-UHFFFAOYSA-N 1 2 248.311 1.982 20 0 BDADLO Cc1cc(NC[C@]2(O)CCC[C@H]2C)nc[nH+]1 ZINC000328194205 388406408 /nfs/dbraw/zinc/40/64/08/388406408.db2.gz QYEFVXBOPLYAPJ-BXKDBHETSA-N 1 2 221.304 1.748 20 0 BDADLO Nc1ccc(NC(=O)CCC2CCOCC2)c[nH+]1 ZINC000238134055 388400406 /nfs/dbraw/zinc/40/04/06/388400406.db2.gz WGEQWWCGPSFRRN-UHFFFAOYSA-N 1 2 249.314 1.809 20 0 BDADLO O=C(/C=C/C1CCC1)NCCCn1cc[nH+]c1 ZINC000492089274 388334381 /nfs/dbraw/zinc/33/43/81/388334381.db2.gz PPQCNHRBYMCYKQ-AATRIKPKSA-N 1 2 233.315 1.746 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1CCCO1 ZINC000492277589 388340177 /nfs/dbraw/zinc/34/01/77/388340177.db2.gz OLDYAMAHQMGYCS-GZTOBOFZSA-N 1 2 249.314 1.211 20 0 BDADLO CC1(CNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000515346749 256741424 /nfs/dbraw/zinc/74/14/24/256741424.db2.gz YVVJPAMURZOVCL-MRVPVSSYSA-N 1 2 225.317 1.059 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000041570504 388457951 /nfs/dbraw/zinc/45/79/51/388457951.db2.gz UGBOBOARTJUNGP-UHFFFAOYSA-N 1 2 232.287 1.421 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccon1 ZINC000336674182 388461326 /nfs/dbraw/zinc/46/13/26/388461326.db2.gz OYGUJGMOKFKJGY-QMMMGPOBSA-N 1 2 218.260 1.333 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(C2CC2)CC1 ZINC000515361137 388463506 /nfs/dbraw/zinc/46/35/06/388463506.db2.gz RKSUQCUIRUIQFL-UHFFFAOYSA-N 1 2 234.303 1.162 20 0 BDADLO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)nc1 ZINC000338962380 388478323 /nfs/dbraw/zinc/47/83/23/388478323.db2.gz GVPMMDARJXHEEM-ZDUSSCGKSA-N 1 2 248.326 1.781 20 0 BDADLO CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)nc1 ZINC000338962380 388478327 /nfs/dbraw/zinc/47/83/27/388478327.db2.gz GVPMMDARJXHEEM-ZDUSSCGKSA-N 1 2 248.326 1.781 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn2ccccc2n1 ZINC000339162880 388479958 /nfs/dbraw/zinc/47/99/58/388479958.db2.gz AKFHKJBWRFTLSV-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)c(C)n1 ZINC000298040155 388434417 /nfs/dbraw/zinc/43/44/17/388434417.db2.gz FMUSCSMGJQBNQV-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCC[C@@H](OC)C2)n1 ZINC000246130782 388439253 /nfs/dbraw/zinc/43/92/53/388439253.db2.gz PBPQLOKSPOFLHP-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCC[C@@H](OC)C2)n1 ZINC000246130782 388439256 /nfs/dbraw/zinc/43/92/56/388439256.db2.gz PBPQLOKSPOFLHP-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000336893257 388439398 /nfs/dbraw/zinc/43/93/98/388439398.db2.gz KNFXRAUCNCGTTC-ZJUUUORDSA-N 1 2 227.304 1.095 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](O)CCC(C)C)C(C)C ZINC000517210776 388542568 /nfs/dbraw/zinc/54/25/68/388542568.db2.gz GKIHYIGIDGVRJJ-NEPJUHHUSA-N 1 2 245.363 1.571 20 0 BDADLO COC(=O)[C@H]1CCN(c2nc(C)[nH+]cc2C)[C@@H]1C ZINC000520839762 388543546 /nfs/dbraw/zinc/54/35/46/388543546.db2.gz RJPWCLGQCPTRMJ-KOLCDFICSA-N 1 2 249.314 1.481 20 0 BDADLO Cc1ccnc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000548520025 388545554 /nfs/dbraw/zinc/54/55/54/388545554.db2.gz HZDRHOAIPCYNDG-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO CCC[C@H](C[NH2+][C@H](CC)C(=O)OC)OC ZINC000356337502 388547919 /nfs/dbraw/zinc/54/79/19/388547919.db2.gz PVGPHWKJYJGVAB-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO COCCC1CC[NH+](Cc2noc(C)n2)CC1 ZINC000528575501 388548416 /nfs/dbraw/zinc/54/84/16/388548416.db2.gz XHVDKACNYSDBMO-UHFFFAOYSA-N 1 2 239.319 1.627 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)OC ZINC000135243574 388486885 /nfs/dbraw/zinc/48/68/85/388486885.db2.gz JNRFHQGTGCMYKS-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO CCc1oc(C(=O)NCCc2[nH]cc[nH+]2)cc1C ZINC000177600145 388488019 /nfs/dbraw/zinc/48/80/19/388488019.db2.gz RDDWSWSWEYQIBE-UHFFFAOYSA-N 1 2 247.298 1.846 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000177750861 388490330 /nfs/dbraw/zinc/49/03/30/388490330.db2.gz OLPSZDWTMUQCBO-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO CCc1cc(C)c(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000177899947 388493470 /nfs/dbraw/zinc/49/34/70/388493470.db2.gz FKSRYQUEDXZYQA-UHFFFAOYSA-N 1 2 247.298 1.846 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)C2)c2[nH+]ccn21 ZINC000648922567 388494818 /nfs/dbraw/zinc/49/48/18/388494818.db2.gz QULHPQDMTLENOQ-WCABBAIRSA-N 1 2 247.298 1.374 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)no1 ZINC000341038642 388495041 /nfs/dbraw/zinc/49/50/41/388495041.db2.gz CKPBJFYBCQQOLH-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)no1 ZINC000341038642 388495043 /nfs/dbraw/zinc/49/50/43/388495043.db2.gz CKPBJFYBCQQOLH-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547930997 388495551 /nfs/dbraw/zinc/49/55/51/388495551.db2.gz FJWSXQUOGVPOLD-GFCCVEGCSA-N 1 2 249.358 1.857 20 0 BDADLO CC(F)(F)C(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000405967314 388495967 /nfs/dbraw/zinc/49/59/67/388495967.db2.gz GASZMDMGYYWHID-UHFFFAOYSA-N 1 2 231.246 1.707 20 0 BDADLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)OC)CCO1 ZINC000135607039 388502953 /nfs/dbraw/zinc/50/29/53/388502953.db2.gz RZARGBBIUCFBRU-ONGXEEELSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)OC)CCO1 ZINC000135607039 388502956 /nfs/dbraw/zinc/50/29/56/388502956.db2.gz RZARGBBIUCFBRU-ONGXEEELSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+](Cc1ccoc1)C[C@H](C)S(C)(=O)=O ZINC000649280534 388513240 /nfs/dbraw/zinc/51/32/40/388513240.db2.gz LMBHJSIPGAWJPQ-JTQLQIEISA-N 1 2 245.344 1.535 20 0 BDADLO CC[N@H+](Cc1ccoc1)C[C@H](C)S(C)(=O)=O ZINC000649280534 388513243 /nfs/dbraw/zinc/51/32/43/388513243.db2.gz LMBHJSIPGAWJPQ-JTQLQIEISA-N 1 2 245.344 1.535 20 0 BDADLO C/C(Cl)=C/C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000528387137 388519258 /nfs/dbraw/zinc/51/92/58/388519258.db2.gz LALKNNZMDZUIHW-OTOXVQDCSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C/C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000528387137 388519261 /nfs/dbraw/zinc/51/92/61/388519261.db2.gz LALKNNZMDZUIHW-OTOXVQDCSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C\C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000528387138 388519989 /nfs/dbraw/zinc/51/99/89/388519989.db2.gz LALKNNZMDZUIHW-SGDMMICCSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C\C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000528387138 388519991 /nfs/dbraw/zinc/51/99/91/388519991.db2.gz LALKNNZMDZUIHW-SGDMMICCSA-N 1 2 216.712 1.292 20 0 BDADLO C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000516861237 388521193 /nfs/dbraw/zinc/52/11/93/388521193.db2.gz CPCDAJXHDSDBES-MGPQQGTHSA-N 1 2 239.407 1.578 20 0 BDADLO C[N@H+](CCCCO)Cc1noc(C2CC2)n1 ZINC000349947273 388528971 /nfs/dbraw/zinc/52/89/71/388528971.db2.gz SJIXJGZHBHQNSU-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[N@@H+](CCCCO)Cc1noc(C2CC2)n1 ZINC000349947273 388528975 /nfs/dbraw/zinc/52/89/75/388528975.db2.gz SJIXJGZHBHQNSU-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000528472226 388531358 /nfs/dbraw/zinc/53/13/58/388531358.db2.gz BMEXUBFKWBOEBY-WJFJWEJPSA-N 1 2 235.780 1.829 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000528472226 388531360 /nfs/dbraw/zinc/53/13/60/388531360.db2.gz BMEXUBFKWBOEBY-WJFJWEJPSA-N 1 2 235.780 1.829 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548425667 388536324 /nfs/dbraw/zinc/53/63/24/388536324.db2.gz CBDDTXDPWXIHCX-HRDYMLBCSA-N 1 2 225.292 1.760 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548425667 388536328 /nfs/dbraw/zinc/53/63/28/388536328.db2.gz CBDDTXDPWXIHCX-HRDYMLBCSA-N 1 2 225.292 1.760 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC=CCC1 ZINC000529866517 388593972 /nfs/dbraw/zinc/59/39/72/388593972.db2.gz OLSJNLONDOFNPZ-GFCCVEGCSA-N 1 2 233.315 1.746 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000245802070 388606493 /nfs/dbraw/zinc/60/64/93/388606493.db2.gz JOPWGFVKAPIBQH-BWZBUEFSSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000245802070 388606495 /nfs/dbraw/zinc/60/64/95/388606495.db2.gz JOPWGFVKAPIBQH-BWZBUEFSSA-N 1 2 227.226 1.019 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)C[C@H]2F)c(C)c[nH+]1 ZINC000517556490 388553401 /nfs/dbraw/zinc/55/34/01/388553401.db2.gz NWXBWZZZJOTDDV-PWSUYJOCSA-N 1 2 222.263 1.807 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000517608466 388555929 /nfs/dbraw/zinc/55/59/29/388555929.db2.gz YFFWESOIUWFAQL-UHFFFAOYSA-N 1 2 249.314 1.096 20 0 BDADLO CCOC(=O)CC[N@H+]1CCc2nc(C)ncc2C1 ZINC000517608466 388555932 /nfs/dbraw/zinc/55/59/32/388555932.db2.gz YFFWESOIUWFAQL-UHFFFAOYSA-N 1 2 249.314 1.096 20 0 BDADLO CCCn1ncnc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754872 388556923 /nfs/dbraw/zinc/55/69/23/388556923.db2.gz UNJKPWGYMLPCJN-AOOOYVTPSA-N 1 2 208.309 1.671 20 0 BDADLO CCCn1ncnc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754872 388556925 /nfs/dbraw/zinc/55/69/25/388556925.db2.gz UNJKPWGYMLPCJN-AOOOYVTPSA-N 1 2 208.309 1.671 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2cc(C)no2)CCO1 ZINC000528719430 388560218 /nfs/dbraw/zinc/56/02/18/388560218.db2.gz NBTLOWDAIZYGSD-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000528719430 388560219 /nfs/dbraw/zinc/56/02/19/388560219.db2.gz NBTLOWDAIZYGSD-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO Cc1ccc(C)c(C[NH2+]Cc2nnn(C)n2)c1 ZINC000362964373 388561557 /nfs/dbraw/zinc/56/15/57/388561557.db2.gz UWNSGKSURLUOSA-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO Cn1nnc(C[NH2+]C/C=C\c2ccccc2)n1 ZINC000362964969 388561697 /nfs/dbraw/zinc/56/16/97/388561697.db2.gz YLGHAEMCSCXRRR-YVMONPNESA-N 1 2 229.287 1.013 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000528721320 388562234 /nfs/dbraw/zinc/56/22/34/388562234.db2.gz FNWJVALTOKKDJM-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000528721320 388562235 /nfs/dbraw/zinc/56/22/35/388562235.db2.gz FNWJVALTOKKDJM-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CC[C@@H](C)[C@@H](CNc1cc(C)[nH+]cn1)OC ZINC000362976713 388563359 /nfs/dbraw/zinc/56/33/59/388563359.db2.gz LNNRPAKRHSFJMM-MWLCHTKSSA-N 1 2 223.320 1.680 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(F)(F)C1 ZINC000613342170 388568669 /nfs/dbraw/zinc/56/86/69/388568669.db2.gz CERFKCFUUKFWSD-HTQZYQBOSA-N 1 2 241.241 1.001 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCOC(C)(C)C1 ZINC000184394907 388576704 /nfs/dbraw/zinc/57/67/04/388576704.db2.gz WJZRCAIEABCMER-SNVBAGLBSA-N 1 2 221.304 1.648 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCOC(C)(C)C1 ZINC000184394907 388576705 /nfs/dbraw/zinc/57/67/05/388576705.db2.gz WJZRCAIEABCMER-SNVBAGLBSA-N 1 2 221.304 1.648 20 0 BDADLO COCC[N@H+](CC[C@H]1CCCO1)CC(F)F ZINC000189106840 388622297 /nfs/dbraw/zinc/62/22/97/388622297.db2.gz NIOYUKKHGGKSJE-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO COCC[N@@H+](CC[C@H]1CCCO1)CC(F)F ZINC000189106840 388622299 /nfs/dbraw/zinc/62/22/99/388622299.db2.gz NIOYUKKHGGKSJE-SNVBAGLBSA-N 1 2 237.290 1.769 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ncccc1F ZINC000530233426 388637115 /nfs/dbraw/zinc/63/71/15/388637115.db2.gz JCVAPBHYMYKXOV-VIFPVBQESA-N 1 2 248.261 1.295 20 0 BDADLO C[C@H]1OCC[N@H+](CCOCC(F)F)[C@@H]1C ZINC000189564639 388638745 /nfs/dbraw/zinc/63/87/45/388638745.db2.gz BQSTZNLKOOODEI-RKDXNWHRSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@H]1OCC[N@@H+](CCOCC(F)F)[C@@H]1C ZINC000189564639 388638747 /nfs/dbraw/zinc/63/87/47/388638747.db2.gz BQSTZNLKOOODEI-RKDXNWHRSA-N 1 2 223.263 1.377 20 0 BDADLO COC[C@@H](C)n1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000189866149 388643510 /nfs/dbraw/zinc/64/35/10/388643510.db2.gz KTCAKZLURVZANM-SECBINFHSA-N 1 2 235.291 1.426 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncccc2F)cn1 ZINC000530278078 388646827 /nfs/dbraw/zinc/64/68/27/388646827.db2.gz IBKAOBYPNWZXMI-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO COCCc1nc(C[N@H+](C)[C@H](C)C2CC2)no1 ZINC000564384487 388649258 /nfs/dbraw/zinc/64/92/58/388649258.db2.gz SRKOSMBQPSRDOR-SECBINFHSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@@H+](C)[C@H](C)C2CC2)no1 ZINC000564384487 388649260 /nfs/dbraw/zinc/64/92/60/388649260.db2.gz SRKOSMBQPSRDOR-SECBINFHSA-N 1 2 239.319 1.489 20 0 BDADLO Cc1n[nH]c(C)c1C[NH+]1CCN(C2CC2)CC1 ZINC000127956411 388734298 /nfs/dbraw/zinc/73/42/98/388734298.db2.gz MEZGLRYAIGORJH-UHFFFAOYSA-N 1 2 234.347 1.307 20 0 BDADLO O=C(CC[C@@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000522251276 388734896 /nfs/dbraw/zinc/73/48/96/388734896.db2.gz PSZLINHWSZVJQC-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000522266123 388741846 /nfs/dbraw/zinc/74/18/46/388741846.db2.gz XUJDLPVWSVITEM-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO C[C@@H](CC(=O)N(C)CC(F)F)n1cc[nH+]c1 ZINC000564216925 388752514 /nfs/dbraw/zinc/75/25/14/388752514.db2.gz ZJYCWEPYEZAQNU-QMMMGPOBSA-N 1 2 231.246 1.558 20 0 BDADLO CC[C@H](C)C[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000649054332 388753696 /nfs/dbraw/zinc/75/36/96/388753696.db2.gz ZOJYHXLLDYSAHO-WCBMZHEXSA-N 1 2 239.319 1.245 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncnn2CC)CCS1 ZINC000193364896 388702708 /nfs/dbraw/zinc/70/27/08/388702708.db2.gz XWCJMAKYSWDXPW-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncnn2CC)CCS1 ZINC000193364896 388702711 /nfs/dbraw/zinc/70/27/11/388702711.db2.gz XWCJMAKYSWDXPW-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO C[C@H]1C[N@H+](CCOCC(F)F)[C@@H](C)CO1 ZINC000249260673 388713729 /nfs/dbraw/zinc/71/37/29/388713729.db2.gz HVVWNDUJQBRIHK-IUCAKERBSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC(F)F)[C@@H](C)CO1 ZINC000249260673 388713732 /nfs/dbraw/zinc/71/37/32/388713732.db2.gz HVVWNDUJQBRIHK-IUCAKERBSA-N 1 2 223.263 1.377 20 0 BDADLO COCCC[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000066379033 388717683 /nfs/dbraw/zinc/71/76/83/388717683.db2.gz PEOIRLBRZXXENN-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000066379033 388717685 /nfs/dbraw/zinc/71/76/85/388717685.db2.gz PEOIRLBRZXXENN-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000226592387 388724040 /nfs/dbraw/zinc/72/40/40/388724040.db2.gz IMDWCVVGJHMWKK-OUAUKWLOSA-N 1 2 229.320 1.341 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000226594977 388724565 /nfs/dbraw/zinc/72/45/65/388724565.db2.gz DCZKRGWNUJTVTD-GARJFASQSA-N 1 2 243.347 1.323 20 0 BDADLO CC(C)[NH+]1CCN(C(=O)CCC(C)(F)F)CC1 ZINC000642631123 388732222 /nfs/dbraw/zinc/73/22/22/388732222.db2.gz LROYGGSSDHBVHD-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO c1cc(CNc2cc[nH+]c3ccncc23)n[nH]1 ZINC000540287803 388801657 /nfs/dbraw/zinc/80/16/57/388801657.db2.gz XSHAUNRDBKPSFR-UHFFFAOYSA-N 1 2 225.255 1.387 20 0 BDADLO Cc1nc(N[C@@H](C)c2cn[nH]c2)cc[nH+]1 ZINC000229871361 388801893 /nfs/dbraw/zinc/80/18/93/388801893.db2.gz IWBHSTRBQSLNON-ZETCQYMHSA-N 1 2 203.249 1.681 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000253190776 388808307 /nfs/dbraw/zinc/80/83/07/388808307.db2.gz UAJHCISCJJTNEP-NTZNESFSSA-N 1 2 249.358 1.904 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CCCO2)c1Cl ZINC000227840554 388759463 /nfs/dbraw/zinc/75/94/63/388759463.db2.gz IFPPODBQSNPQQT-LURJTMIESA-N 1 2 228.683 1.303 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CCCO2)c1Cl ZINC000227840554 388759466 /nfs/dbraw/zinc/75/94/66/388759466.db2.gz IFPPODBQSNPQQT-LURJTMIESA-N 1 2 228.683 1.303 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCOCC2(CC2)C1 ZINC000564220042 388764304 /nfs/dbraw/zinc/76/43/04/388764304.db2.gz GCPQTAIJMZDZQK-JTQLQIEISA-N 1 2 248.330 1.063 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCOCC2(CC2)C1 ZINC000564220042 388764306 /nfs/dbraw/zinc/76/43/06/388764306.db2.gz GCPQTAIJMZDZQK-JTQLQIEISA-N 1 2 248.330 1.063 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2cccn2C)n1 ZINC000539819651 388780166 /nfs/dbraw/zinc/78/01/66/388780166.db2.gz IQUFLMLPRUXIKH-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2cccn2C)n1 ZINC000539819651 388780172 /nfs/dbraw/zinc/78/01/72/388780172.db2.gz IQUFLMLPRUXIKH-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO Cc1ncsc1CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000229508371 388791717 /nfs/dbraw/zinc/79/17/17/388791717.db2.gz CBLZZSMRBPOYRD-SECBINFHSA-N 1 2 238.356 1.905 20 0 BDADLO Cc1ncsc1CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000229508371 388791720 /nfs/dbraw/zinc/79/17/20/388791720.db2.gz CBLZZSMRBPOYRD-SECBINFHSA-N 1 2 238.356 1.905 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc(C2CC2)ccn1 ZINC000555238930 388843661 /nfs/dbraw/zinc/84/36/61/388843661.db2.gz MJQIVRIWLNMBTK-UHFFFAOYSA-N 1 2 242.282 1.794 20 0 BDADLO Nc1[nH+]cnc(NCC2=CCCOC2)c1Cl ZINC000288602671 388815814 /nfs/dbraw/zinc/81/58/14/388815814.db2.gz UABHVHGVFNWUIQ-UHFFFAOYSA-N 1 2 240.694 1.471 20 0 BDADLO Nc1nc[nH+]c(NCC2=CCCOC2)c1Cl ZINC000288602671 388815818 /nfs/dbraw/zinc/81/58/18/388815818.db2.gz UABHVHGVFNWUIQ-UHFFFAOYSA-N 1 2 240.694 1.471 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC1CCCC1 ZINC000554495492 388817249 /nfs/dbraw/zinc/81/72/49/388817249.db2.gz HDNFOUWIFQSOHK-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCc1cc(NCC[C@H]2CCCOC2)nc[nH+]1 ZINC000624430751 388825054 /nfs/dbraw/zinc/82/50/54/388825054.db2.gz KZBCPJJTJZMLFK-LLVKDONJSA-N 1 2 235.331 1.690 20 0 BDADLO CCn1cc[nH+]c1CN1CC(C(F)(F)F)C1 ZINC000554851293 388832089 /nfs/dbraw/zinc/83/20/89/388832089.db2.gz FZRNWGWPHLWRHE-UHFFFAOYSA-N 1 2 233.237 1.897 20 0 BDADLO CC1(O)CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000126773876 388835317 /nfs/dbraw/zinc/83/53/17/388835317.db2.gz YOCFIAZNNKFIQS-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](C)OC ZINC000541074080 388839475 /nfs/dbraw/zinc/83/94/75/388839475.db2.gz JDLINUDJXYRKGF-NXEZZACHSA-N 1 2 247.360 1.002 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](C)OC ZINC000541074080 388839478 /nfs/dbraw/zinc/83/94/78/388839478.db2.gz JDLINUDJXYRKGF-NXEZZACHSA-N 1 2 247.360 1.002 20 0 BDADLO Cc1c[nH]cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689444 388852501 /nfs/dbraw/zinc/85/25/01/388852501.db2.gz OWJLIISIGMBHCB-UHFFFAOYSA-N 1 2 230.271 1.217 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)n1cccc1 ZINC000523870873 388863183 /nfs/dbraw/zinc/86/31/83/388863183.db2.gz MNBRDEVXGOWOCO-NSHDSACASA-N 1 2 246.314 1.821 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](O)[C@@H](C)C1 ZINC000229432859 388850251 /nfs/dbraw/zinc/85/02/51/388850251.db2.gz KDHLUSRPUUZMIY-VHSXEESVSA-N 1 2 222.288 1.297 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CCC(F)CC1 ZINC000649148994 388879095 /nfs/dbraw/zinc/87/90/95/388879095.db2.gz GTXZJCGVTWZJPD-UHFFFAOYSA-N 1 2 239.294 1.528 20 0 BDADLO CCc1nc(N2CCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000283663744 132213056 /nfs/dbraw/zinc/21/30/56/132213056.db2.gz WEMLLHIXXUAYGY-JTQLQIEISA-N 1 2 221.304 1.573 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](O)C1CCC1 ZINC000565227437 388929838 /nfs/dbraw/zinc/92/98/38/388929838.db2.gz WUQCPELFGQTQBJ-NSHDSACASA-N 1 2 221.304 1.088 20 0 BDADLO c1cn(Cc2ccc(N[C@@H]3CCOC3)nc2)c[nH+]1 ZINC000566059531 388985794 /nfs/dbraw/zinc/98/57/94/388985794.db2.gz HQXVVLBRQGKGFO-GFCCVEGCSA-N 1 2 244.298 1.527 20 0 BDADLO C[C@@H](CNc1[nH+]cnc2c1cnn2C)C[C@H](C)O ZINC000265816817 388994244 /nfs/dbraw/zinc/99/42/44/388994244.db2.gz HGOASSSAVYSEPW-BDAKNGLRSA-N 1 2 249.318 1.182 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC(C)(C)C ZINC000266991802 388997830 /nfs/dbraw/zinc/99/78/30/388997830.db2.gz VKJONDSFMQJSBW-UHFFFAOYSA-N 1 2 209.293 1.771 20 0 BDADLO C[C@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270246948 389011294 /nfs/dbraw/zinc/01/12/94/389011294.db2.gz STRUFYNUEIWQFZ-MRVPVSSYSA-N 1 2 222.292 1.091 20 0 BDADLO C[C@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270246948 389011299 /nfs/dbraw/zinc/01/12/99/389011299.db2.gz STRUFYNUEIWQFZ-MRVPVSSYSA-N 1 2 222.292 1.091 20 0 BDADLO CC[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H]1O ZINC000270544692 389012932 /nfs/dbraw/zinc/01/29/32/389012932.db2.gz DCNVROYKTQARBI-GWCFXTLKSA-N 1 2 245.326 1.780 20 0 BDADLO C[C@H](C[S@](C)=O)Nc1cc[nH+]c(C2CC2)n1 ZINC000273096370 389037596 /nfs/dbraw/zinc/03/75/96/389037596.db2.gz DKHJUMMEYFSKEO-BCTVWOGZSA-N 1 2 239.344 1.533 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492772141 533433791 /nfs/dbraw/zinc/43/37/91/533433791.db2.gz SQQRAZKXJVUAHE-CNDXBVBGSA-N 1 2 235.287 1.107 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C/c1ccncc1 ZINC000495074494 533477926 /nfs/dbraw/zinc/47/79/26/533477926.db2.gz MHDZLVMAONZCED-ONEGZZNKSA-N 1 2 220.272 1.200 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C/c1ccncc1 ZINC000495074494 533477929 /nfs/dbraw/zinc/47/79/29/533477929.db2.gz MHDZLVMAONZCED-ONEGZZNKSA-N 1 2 220.272 1.200 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CS1 ZINC000493273098 533593561 /nfs/dbraw/zinc/59/35/61/533593561.db2.gz PLDKUVWOECXYCP-KHVQUVQLSA-N 1 2 237.328 1.433 20 0 BDADLO O[C@@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000258939631 132177550 /nfs/dbraw/zinc/17/75/50/132177550.db2.gz KMVZNOFYOUGFKM-LLVKDONJSA-N 1 2 248.330 1.038 20 0 BDADLO O[C@@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000258939631 132177551 /nfs/dbraw/zinc/17/75/51/132177551.db2.gz KMVZNOFYOUGFKM-LLVKDONJSA-N 1 2 248.330 1.038 20 0 BDADLO c1nc(N2CCOCC2)cc(NCC2CC2)[nH+]1 ZINC000265416861 132182328 /nfs/dbraw/zinc/18/23/28/132182328.db2.gz HFFOBZOMQGHNKP-UHFFFAOYSA-N 1 2 234.303 1.135 20 0 BDADLO c1nc(NCC2CC2)cc(N2CCOCC2)[nH+]1 ZINC000265416861 132182334 /nfs/dbraw/zinc/18/23/34/132182334.db2.gz HFFOBZOMQGHNKP-UHFFFAOYSA-N 1 2 234.303 1.135 20 0 BDADLO O=C1CN(c2cc(C(F)(F)F)cc[nH+]2)CCN1 ZINC000266865538 132187477 /nfs/dbraw/zinc/18/74/77/132187477.db2.gz QMPXIQNWJYHGKE-UHFFFAOYSA-N 1 2 245.204 1.037 20 0 BDADLO Cc1cc[nH+]c(N2CCN(CC(F)F)CC2)c1 ZINC000268353855 132192345 /nfs/dbraw/zinc/19/23/45/132192345.db2.gz VMNSOUWWICFVDD-UHFFFAOYSA-N 1 2 241.285 1.777 20 0 BDADLO Cc1nc(N2CCO[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000268835776 132193506 /nfs/dbraw/zinc/19/35/06/132193506.db2.gz UFXLGBRNJZKAIT-DTWKUNHWSA-N 1 2 207.277 1.399 20 0 BDADLO CS(=O)(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000274051523 132202414 /nfs/dbraw/zinc/20/24/14/132202414.db2.gz LEGHXPJUEXRSGE-SNVBAGLBSA-N 1 2 240.328 1.095 20 0 BDADLO Cc1nc(N2C[C@@H](C)O[C@H](C3CC3)C2)cc[nH+]1 ZINC000280202311 132209964 /nfs/dbraw/zinc/20/99/64/132209964.db2.gz GCDFPAMTCFIJTE-SKDRFNHKSA-N 1 2 233.315 1.789 20 0 BDADLO CC(=O)N1CCN(c2cccc[nH+]2)[C@@H](C)C1 ZINC000298709097 132222446 /nfs/dbraw/zinc/22/24/46/132222446.db2.gz TXOXHCUDBMWUQR-JTQLQIEISA-N 1 2 219.288 1.139 20 0 BDADLO CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000299103329 132222715 /nfs/dbraw/zinc/22/27/15/132222715.db2.gz ZQBLUSIXOGDNPH-SNVBAGLBSA-N 1 2 219.288 1.044 20 0 BDADLO Cc1cc(N2CCO[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000132251629 132236410 /nfs/dbraw/zinc/23/64/10/132236410.db2.gz FKNPUDDRHOQGCS-UWVGGRQHSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1cc(N2CC(=O)N[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301649244 132255720 /nfs/dbraw/zinc/25/57/20/132255720.db2.gz RCZKZFXLCWDIAC-GHMZBOCLSA-N 1 2 246.314 1.032 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000301957886 132258896 /nfs/dbraw/zinc/25/88/96/132258896.db2.gz NJTHYUBWYUSKGF-KOLCDFICSA-N 1 2 233.315 1.561 20 0 BDADLO COC[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@@H](C)O1 ZINC000302579958 132264722 /nfs/dbraw/zinc/26/47/22/132264722.db2.gz SSHANAWCYJYHHQ-MNOVXSKESA-N 1 2 237.303 1.025 20 0 BDADLO CC[C@]1(C)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000302672745 132265555 /nfs/dbraw/zinc/26/55/55/132265555.db2.gz OPFJVVUOVDCVME-GFCCVEGCSA-N 1 2 221.304 1.790 20 0 BDADLO Cc1nc(N2C[C@@H](C)S(=O)[C@H](C)C2)cc[nH+]1 ZINC000357748342 132274954 /nfs/dbraw/zinc/27/49/54/132274954.db2.gz KNTISZHBDTZIJH-RKDXNWHRSA-N 1 2 239.344 1.131 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000359225647 132276077 /nfs/dbraw/zinc/27/60/77/132276077.db2.gz FVBYQVOTTCOSJJ-AOOOYVTPSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000359225647 132276079 /nfs/dbraw/zinc/27/60/79/132276079.db2.gz FVBYQVOTTCOSJJ-AOOOYVTPSA-N 1 2 249.362 1.728 20 0 BDADLO CO[C@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000359740800 132277721 /nfs/dbraw/zinc/27/77/21/132277721.db2.gz DFMUOPTZDXKFBK-GFCCVEGCSA-N 1 2 221.304 1.790 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1cnccn1)CC2 ZINC000371706673 132285484 /nfs/dbraw/zinc/28/54/84/132285484.db2.gz JZPKFDBGPWCIJR-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO COCC[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000375617950 132288586 /nfs/dbraw/zinc/28/85/86/132288586.db2.gz QLVVJNKGEVMDMP-UHFFFAOYSA-N 1 2 248.326 1.290 20 0 BDADLO COCC[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000375617950 132288588 /nfs/dbraw/zinc/28/85/88/132288588.db2.gz QLVVJNKGEVMDMP-UHFFFAOYSA-N 1 2 248.326 1.290 20 0 BDADLO Cc1nc(N2CCn3cncc3C2)c(C)c(C)[nH+]1 ZINC000377977710 132289775 /nfs/dbraw/zinc/28/97/75/132289775.db2.gz OQOGDZWFPYTAOF-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO CN(C)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000125249045 132297645 /nfs/dbraw/zinc/29/76/45/132297645.db2.gz ZYMSKNCQPDXKHW-LLVKDONJSA-N 1 2 248.330 1.322 20 0 BDADLO CCc1nc(N2CCC[C@H](O)[C@@H]2C)cc(C)[nH+]1 ZINC000294879371 132307822 /nfs/dbraw/zinc/30/78/22/132307822.db2.gz BUZJLIQRCUAYJX-QWRGUYRKSA-N 1 2 235.331 1.697 20 0 BDADLO CC(=O)c1c(F)cccc1N1CC[NH+](C)CC1 ZINC000019870974 132328245 /nfs/dbraw/zinc/32/82/45/132328245.db2.gz IETHGJKSHXKFER-UHFFFAOYSA-N 1 2 236.290 1.780 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCc2ccccc21 ZINC000073172183 132398238 /nfs/dbraw/zinc/39/82/38/132398238.db2.gz KSDVBIZVRPXTLF-UHFFFAOYSA-N 1 2 241.294 1.863 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914463 134001583 /nfs/dbraw/zinc/00/15/83/134001583.db2.gz XFNSJJHXUJJSDN-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](CC(C)C)C(=O)OC)CCO1 ZINC000351914463 134001584 /nfs/dbraw/zinc/00/15/84/134001584.db2.gz XFNSJJHXUJJSDN-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000351931590 134012005 /nfs/dbraw/zinc/01/20/05/134012005.db2.gz RRZRXIWZTZNWMQ-KOLCDFICSA-N 1 2 249.314 1.543 20 0 BDADLO Fc1ccc2c(c1)C[N@H+]([C@H]1CCOC1)CCO2 ZINC000335937705 134012870 /nfs/dbraw/zinc/01/28/70/134012870.db2.gz BGENNEONZLHLCK-LBPRGKRZSA-N 1 2 237.274 1.809 20 0 BDADLO Fc1ccc2c(c1)C[N@@H+]([C@H]1CCOC1)CCO2 ZINC000335937705 134012871 /nfs/dbraw/zinc/01/28/71/134012871.db2.gz BGENNEONZLHLCK-LBPRGKRZSA-N 1 2 237.274 1.809 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(O)CC1 ZINC000351958786 134017736 /nfs/dbraw/zinc/01/77/36/134017736.db2.gz XSAZBBURTFPRLZ-UHFFFAOYSA-N 1 2 249.314 1.687 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000335943556 134018951 /nfs/dbraw/zinc/01/89/51/134018951.db2.gz XJQAFCZNNNRQGG-JTQLQIEISA-N 1 2 222.292 1.310 20 0 BDADLO Cn1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)n1 ZINC000335943556 134018952 /nfs/dbraw/zinc/01/89/52/134018952.db2.gz XJQAFCZNNNRQGG-JTQLQIEISA-N 1 2 222.292 1.310 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[S@@](=O)[C@@H](C)C2)c1 ZINC000335945238 134020193 /nfs/dbraw/zinc/02/01/93/134020193.db2.gz NKBWNMRGRHPHSS-BLLLJJGKSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1cccc(C[N@H+]2CC[S@@](=O)[C@@H](C)C2)c1 ZINC000335945238 134020194 /nfs/dbraw/zinc/02/01/94/134020194.db2.gz NKBWNMRGRHPHSS-BLLLJJGKSA-N 1 2 237.368 1.948 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1C=CCCC1 ZINC000335952917 134022109 /nfs/dbraw/zinc/02/21/09/134022109.db2.gz NFZFLYOARKOBJK-LLVKDONJSA-N 1 2 248.330 1.670 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cscn1 ZINC000335967496 134028454 /nfs/dbraw/zinc/02/84/54/134028454.db2.gz LMXJNFTWXDHMJB-SSDOTTSWSA-N 1 2 248.311 1.154 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cscn1 ZINC000335967496 134028455 /nfs/dbraw/zinc/02/84/55/134028455.db2.gz LMXJNFTWXDHMJB-SSDOTTSWSA-N 1 2 248.311 1.154 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000335982267 134038105 /nfs/dbraw/zinc/03/81/05/134038105.db2.gz RGBPYPAQLMVMPY-ZJUUUORDSA-N 1 2 234.303 1.207 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H](C)O1 ZINC000352050771 134046457 /nfs/dbraw/zinc/04/64/57/134046457.db2.gz VAQWUPQBYHCFKM-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H](C)O1 ZINC000352050771 134046458 /nfs/dbraw/zinc/04/64/58/134046458.db2.gz VAQWUPQBYHCFKM-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccccn2)CC[S@@]1=O ZINC000336006505 134049161 /nfs/dbraw/zinc/04/91/61/134049161.db2.gz IUGXZNVULVJTPI-ZBEGNZNMSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccccn2)CC[S@@]1=O ZINC000336006505 134049162 /nfs/dbraw/zinc/04/91/62/134049162.db2.gz IUGXZNVULVJTPI-ZBEGNZNMSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000336022619 134056227 /nfs/dbraw/zinc/05/62/27/134056227.db2.gz YJBJUWTTWCOAQH-MNOVXSKESA-N 1 2 233.315 1.662 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCn3c[nH+]cc3C2)[nH]1 ZINC000336024910 134056722 /nfs/dbraw/zinc/05/67/22/134056722.db2.gz GSTHNVQJPUVSRK-UHFFFAOYSA-N 1 2 244.298 1.484 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000336032349 134058610 /nfs/dbraw/zinc/05/86/10/134058610.db2.gz RHLMCATUSGWZGI-LBPRGKRZSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000336032349 134058611 /nfs/dbraw/zinc/05/86/11/134058611.db2.gz RHLMCATUSGWZGI-LBPRGKRZSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000336032034 134058706 /nfs/dbraw/zinc/05/87/06/134058706.db2.gz OOPJMMLCQKGHKU-LLVKDONJSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000336032034 134058707 /nfs/dbraw/zinc/05/87/07/134058707.db2.gz OOPJMMLCQKGHKU-LLVKDONJSA-N 1 2 231.303 1.362 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000352097294 134063872 /nfs/dbraw/zinc/06/38/72/134063872.db2.gz QVKOCZBQRDPXQW-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000336055758 134066483 /nfs/dbraw/zinc/06/64/83/134066483.db2.gz WQEOKGXUJTXPJN-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)no1 ZINC000336056764 134066824 /nfs/dbraw/zinc/06/68/24/134066824.db2.gz BZKNNDKHLKBPGS-GXFFZTMASA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)no1 ZINC000336056764 134066825 /nfs/dbraw/zinc/06/68/25/134066825.db2.gz BZKNNDKHLKBPGS-GXFFZTMASA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352115345 134071429 /nfs/dbraw/zinc/07/14/29/134071429.db2.gz KNCRBKFEVBPUGW-UJNFCWOMSA-N 1 2 225.292 1.284 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352115345 134071430 /nfs/dbraw/zinc/07/14/30/134071430.db2.gz KNCRBKFEVBPUGW-UJNFCWOMSA-N 1 2 225.292 1.284 20 0 BDADLO O[C@@]1(C2CC2)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000336095071 134079961 /nfs/dbraw/zinc/07/99/61/134079961.db2.gz ATQAJODXOGFQFG-AWEZNQCLSA-N 1 2 243.310 1.914 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC000336114040 134087888 /nfs/dbraw/zinc/08/78/88/134087888.db2.gz MWOUQZNBUDXNPP-NSHDSACASA-N 1 2 247.342 1.926 20 0 BDADLO CC1(C)CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336149397 134103538 /nfs/dbraw/zinc/10/35/38/134103538.db2.gz HUCNHSAFNCENDP-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(F)cc1F ZINC000336159880 134107250 /nfs/dbraw/zinc/10/72/50/134107250.db2.gz BJEHKGRWOFRLFC-QWRGUYRKSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(F)cc1F ZINC000336159880 134107251 /nfs/dbraw/zinc/10/72/51/134107251.db2.gz BJEHKGRWOFRLFC-QWRGUYRKSA-N 1 2 245.244 1.870 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C1CC1)C[C@@H](C)O ZINC000352210672 134107561 /nfs/dbraw/zinc/10/75/61/134107561.db2.gz HHHHYLIVIZLMKJ-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C1CC1)C[C@@H](C)O ZINC000352210672 134107562 /nfs/dbraw/zinc/10/75/62/134107562.db2.gz HHHHYLIVIZLMKJ-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2ccncc2F)C1 ZINC000336210106 134133935 /nfs/dbraw/zinc/13/39/35/134133935.db2.gz GOEVBQCKYUKZBR-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000336210106 134133936 /nfs/dbraw/zinc/13/39/36/134133936.db2.gz GOEVBQCKYUKZBR-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO Cc1cc(N[C@H]2CCN(C)C2=O)nc(C(C)C)[nH+]1 ZINC000217504809 134248983 /nfs/dbraw/zinc/24/89/83/134248983.db2.gz NGQJKTFXUOXUEV-JTQLQIEISA-N 1 2 248.330 1.551 20 0 BDADLO C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CCC1=O ZINC000169137088 134249403 /nfs/dbraw/zinc/24/94/03/134249403.db2.gz ZJHPXBLLMXLQDW-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO C[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CCC1=O ZINC000169137088 134249404 /nfs/dbraw/zinc/24/94/04/134249404.db2.gz ZJHPXBLLMXLQDW-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000170764480 134253320 /nfs/dbraw/zinc/25/33/20/134253320.db2.gz FAUDCRPQCXJLGA-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCCO[C@H](C)C1 ZINC000170764480 134253321 /nfs/dbraw/zinc/25/33/21/134253321.db2.gz FAUDCRPQCXJLGA-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc3cc[nH]c32)n1 ZINC000218955779 134269013 /nfs/dbraw/zinc/26/90/13/134269013.db2.gz ZFFKRFYEORVEOB-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO Cc1cc(CNc2[nH+]cnc3c2cnn3C)no1 ZINC000044416288 322842092 /nfs/dbraw/zinc/84/20/92/322842092.db2.gz CQMCGSRCGKWGEP-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000178488920 134307389 /nfs/dbraw/zinc/30/73/89/134307389.db2.gz SCXHUTHMHVGFHJ-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOCC12CCC2 ZINC000178488920 134307390 /nfs/dbraw/zinc/30/73/90/134307390.db2.gz SCXHUTHMHVGFHJ-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178821662 134315604 /nfs/dbraw/zinc/31/56/04/134315604.db2.gz YJOYFAZEJHQQET-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccn1C ZINC000180763600 134331501 /nfs/dbraw/zinc/33/15/01/134331501.db2.gz QFEMVQGGUCJWEU-LBPRGKRZSA-N 1 2 236.315 1.553 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccn1C ZINC000180763600 134331502 /nfs/dbraw/zinc/33/15/02/134331502.db2.gz QFEMVQGGUCJWEU-LBPRGKRZSA-N 1 2 236.315 1.553 20 0 BDADLO COCc1nc(C[N@H+](C)C2CCCC2)no1 ZINC000182385789 134345056 /nfs/dbraw/zinc/34/50/56/134345056.db2.gz NHHCTHZYGPOYPN-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H](C)CC2)no1 ZINC000182417628 134345173 /nfs/dbraw/zinc/34/51/73/134345173.db2.gz VNYZGWKJBORNAK-JTQLQIEISA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H](C)CC2)no1 ZINC000182417628 134345174 /nfs/dbraw/zinc/34/51/74/134345174.db2.gz VNYZGWKJBORNAK-JTQLQIEISA-N 1 2 239.319 1.838 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185133477 134371852 /nfs/dbraw/zinc/37/18/52/134371852.db2.gz QMZDKKOGUJLZRT-UDIQPFLZSA-N 1 2 217.696 1.230 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185133477 134371853 /nfs/dbraw/zinc/37/18/53/134371853.db2.gz QMZDKKOGUJLZRT-UDIQPFLZSA-N 1 2 217.696 1.230 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000227155881 134376345 /nfs/dbraw/zinc/37/63/45/134376345.db2.gz PMNDGURJNCLNSV-IWSPIJDZSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000227155881 134376346 /nfs/dbraw/zinc/37/63/46/134376346.db2.gz PMNDGURJNCLNSV-IWSPIJDZSA-N 1 2 239.237 1.163 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185322791 134379913 /nfs/dbraw/zinc/37/99/13/134379913.db2.gz FJUALCQAMSMQKC-QMMMGPOBSA-N 1 2 240.253 1.239 20 0 BDADLO NC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185322791 134379914 /nfs/dbraw/zinc/37/99/14/134379914.db2.gz FJUALCQAMSMQKC-QMMMGPOBSA-N 1 2 240.253 1.239 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000153402113 134532572 /nfs/dbraw/zinc/53/25/72/134532572.db2.gz RXSWZQZIIAFIND-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nnnn1C ZINC000189922888 134554518 /nfs/dbraw/zinc/55/45/18/134554518.db2.gz XGAGZAGTJQSZHJ-DTWKUNHWSA-N 1 2 232.291 1.017 20 0 BDADLO NC(=O)c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000053096606 134724331 /nfs/dbraw/zinc/72/43/31/134724331.db2.gz NVMXJTPGVDQAKP-UHFFFAOYSA-N 1 2 247.323 1.532 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070651171 135002566 /nfs/dbraw/zinc/00/25/66/135002566.db2.gz OGKODEAKOJWJLH-VIFPVBQESA-N 1 2 209.293 1.660 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccsc1 ZINC000070651492 135005685 /nfs/dbraw/zinc/00/56/85/135005685.db2.gz STVUHECWXWEXFB-UHFFFAOYSA-N 1 2 207.258 1.401 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1nccs1 ZINC000070733136 135011985 /nfs/dbraw/zinc/01/19/85/135011985.db2.gz CQROFNINJMDRFG-NTSWFWBYSA-N 1 2 240.250 1.717 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)OC ZINC000248970711 135028541 /nfs/dbraw/zinc/02/85/41/135028541.db2.gz CNWCHMOVCREJPY-WZRBSPASSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249377406 135038219 /nfs/dbraw/zinc/03/82/19/135038219.db2.gz LXXOUZJEVNLQDJ-NXEZZACHSA-N 1 2 237.303 1.151 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249377406 135038222 /nfs/dbraw/zinc/03/82/22/135038222.db2.gz LXXOUZJEVNLQDJ-NXEZZACHSA-N 1 2 237.303 1.151 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000250462984 135055022 /nfs/dbraw/zinc/05/50/22/135055022.db2.gz BCPAWIVPCZXPLK-YUSALJHKSA-N 1 2 241.331 1.343 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251618688 135072835 /nfs/dbraw/zinc/07/28/35/135072835.db2.gz HLJOXJUXQHCTMB-GXSJLCMTSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251618688 135072839 /nfs/dbraw/zinc/07/28/39/135072839.db2.gz HLJOXJUXQHCTMB-GXSJLCMTSA-N 1 2 241.331 1.437 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000352222419 135104046 /nfs/dbraw/zinc/10/40/46/135104046.db2.gz QMSNUCIIRBCOPX-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352222419 135104048 /nfs/dbraw/zinc/10/40/48/135104048.db2.gz QMSNUCIIRBCOPX-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000352222420 135104366 /nfs/dbraw/zinc/10/43/66/135104366.db2.gz QMSNUCIIRBCOPX-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000352222420 135104368 /nfs/dbraw/zinc/10/43/68/135104368.db2.gz QMSNUCIIRBCOPX-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000078304798 135118469 /nfs/dbraw/zinc/11/84/69/135118469.db2.gz GFUZJYRORSYHBI-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000087399937 135128368 /nfs/dbraw/zinc/12/83/68/135128368.db2.gz WEILUXZOUDFWHF-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000087399937 135128370 /nfs/dbraw/zinc/12/83/70/135128370.db2.gz WEILUXZOUDFWHF-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)[C@H]1CCN(c2cccc[nH+]2)[C@@H]1C ZINC000259482927 135142746 /nfs/dbraw/zinc/14/27/46/135142746.db2.gz CCKNASCOTPWASB-ZJUUUORDSA-N 1 2 220.272 1.469 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1cccs1 ZINC000265678455 135145693 /nfs/dbraw/zinc/14/56/93/135145693.db2.gz IWPCAXXXZJJROE-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO COC(=O)CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353165885 135164985 /nfs/dbraw/zinc/16/49/85/135164985.db2.gz BPLGHGCLXRJUPU-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO COC(=O)CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353165885 135164988 /nfs/dbraw/zinc/16/49/88/135164988.db2.gz BPLGHGCLXRJUPU-MRVPVSSYSA-N 1 2 221.247 1.669 20 0 BDADLO Cc1ccoc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081613 135182005 /nfs/dbraw/zinc/18/20/05/135182005.db2.gz MFZJEVPJUUPARM-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cc1ccoc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081613 135182007 /nfs/dbraw/zinc/18/20/07/135182007.db2.gz MFZJEVPJUUPARM-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc(F)c1 ZINC000084081808 135182351 /nfs/dbraw/zinc/18/23/51/135182351.db2.gz SFDDCDDEZUOBBQ-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc(F)c1 ZINC000084081808 135182352 /nfs/dbraw/zinc/18/23/52/135182352.db2.gz SFDDCDDEZUOBBQ-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO CC1(C)C[N@H+](Cc2ccncc2)C[C@H](CO)O1 ZINC000163819267 135208188 /nfs/dbraw/zinc/20/81/88/135208188.db2.gz JDYQMRQPVMLPTO-GFCCVEGCSA-N 1 2 236.315 1.053 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccncc2)C[C@H](CO)O1 ZINC000163819267 135208189 /nfs/dbraw/zinc/20/81/89/135208189.db2.gz JDYQMRQPVMLPTO-GFCCVEGCSA-N 1 2 236.315 1.053 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000342461157 135276785 /nfs/dbraw/zinc/27/67/85/135276785.db2.gz VFYCCGSRZOCTBC-YUMQZZPRSA-N 1 2 234.303 1.524 20 0 BDADLO CCOc1cccc(Cn2cc[nH+]c2)n1 ZINC000342561804 135289887 /nfs/dbraw/zinc/28/98/87/135289887.db2.gz IEUGFYHWMAHLNL-UHFFFAOYSA-N 1 2 203.245 1.725 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000262352524 135294509 /nfs/dbraw/zinc/29/45/09/135294509.db2.gz GHRBUKROMYAKBV-MNOVXSKESA-N 1 2 249.314 1.289 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000262352524 135294511 /nfs/dbraw/zinc/29/45/11/135294511.db2.gz GHRBUKROMYAKBV-MNOVXSKESA-N 1 2 249.314 1.289 20 0 BDADLO CCc1nnc(C[N@H+](C)CC[C@@H]2CCCO2)[nH]1 ZINC000342600369 135301659 /nfs/dbraw/zinc/30/16/59/135301659.db2.gz ULVUKHDKZHSUQE-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC[C@@H]2CCCO2)[nH]1 ZINC000342600369 135301660 /nfs/dbraw/zinc/30/16/60/135301660.db2.gz ULVUKHDKZHSUQE-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CN(Cc1cc[nH]n1)c1[nH]c2ccccc2[nH+]1 ZINC000342706834 135313108 /nfs/dbraw/zinc/31/31/08/135313108.db2.gz AXHKWTNRJMZHQL-UHFFFAOYSA-N 1 2 227.271 1.922 20 0 BDADLO O=C(NCCC(F)(F)F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262691509 135313991 /nfs/dbraw/zinc/31/39/91/135313991.db2.gz AHPKMCSCJDPWCA-RXMQYKEDSA-N 1 2 246.179 1.052 20 0 BDADLO Cc1c[nH+]c(CN(CCO)c2ccccc2)n1C ZINC000342784709 135318276 /nfs/dbraw/zinc/31/82/76/135318276.db2.gz VTFMPNCCLICLLS-UHFFFAOYSA-N 1 2 245.326 1.727 20 0 BDADLO Cc1c[nH+]c(CN2CCC([C@H](C)O)CC2)n1C ZINC000342792867 135319511 /nfs/dbraw/zinc/31/95/11/135319511.db2.gz QAMGADIKELGWSI-NSHDSACASA-N 1 2 237.347 1.321 20 0 BDADLO CC1(C)CC(C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000334164574 135322137 /nfs/dbraw/zinc/32/21/37/135322137.db2.gz AESXKDXDHDBAEJ-UHFFFAOYSA-N 1 2 207.277 1.462 20 0 BDADLO CC1(C)CC(C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000334164574 135322138 /nfs/dbraw/zinc/32/21/38/135322138.db2.gz AESXKDXDHDBAEJ-UHFFFAOYSA-N 1 2 207.277 1.462 20 0 BDADLO CN(Cc1ccco1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262968856 135325969 /nfs/dbraw/zinc/32/59/69/135325969.db2.gz LNWGLTLJAKJRCB-SECBINFHSA-N 1 2 244.241 1.235 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H](C3CC3)C2)n1C ZINC000342768752 135326123 /nfs/dbraw/zinc/32/61/23/135326123.db2.gz NAKHRZZUDYBUBZ-LBPRGKRZSA-N 1 2 235.331 1.339 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263012183 135326411 /nfs/dbraw/zinc/32/64/11/135326411.db2.gz PWRFWORXHHNSNH-NXEZZACHSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)[C@H]1C ZINC000263073843 135331521 /nfs/dbraw/zinc/33/15/21/135331521.db2.gz WWBTZKBCHIFRTC-HRDYMLBCSA-N 1 2 232.274 1.241 20 0 BDADLO O=C(NCc1ccsc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263101282 135332322 /nfs/dbraw/zinc/33/23/22/135332322.db2.gz ZKQWITAXOWWSMG-QMMMGPOBSA-N 1 2 246.282 1.362 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263103684 135332497 /nfs/dbraw/zinc/33/24/97/135332497.db2.gz ZQBMNZKSWWIACC-UTLUCORTSA-N 1 2 246.301 1.679 20 0 BDADLO CN(CC1CCC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263209068 135339515 /nfs/dbraw/zinc/33/95/15/135339515.db2.gz KBDSEOWOEJUJGH-SECBINFHSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CCO1 ZINC000079934860 135364641 /nfs/dbraw/zinc/36/46/41/135364641.db2.gz HUDMHZGOPVZYKF-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)CCO1 ZINC000079934860 135364643 /nfs/dbraw/zinc/36/46/43/135364643.db2.gz HUDMHZGOPVZYKF-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000306302521 135371249 /nfs/dbraw/zinc/37/12/49/135371249.db2.gz BZQLSZDWEIHHOO-DTWDLQQISA-N 1 2 201.697 1.850 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000306302521 135371251 /nfs/dbraw/zinc/37/12/51/135371251.db2.gz BZQLSZDWEIHHOO-DTWDLQQISA-N 1 2 201.697 1.850 20 0 BDADLO O=C1[C@H]([N@@H+]2CCC=C(F)C2)CCN1C1CC1 ZINC000334364410 135372587 /nfs/dbraw/zinc/37/25/87/135372587.db2.gz MWVNGTYFLXFPCD-LLVKDONJSA-N 1 2 224.279 1.309 20 0 BDADLO O=C1[C@H]([N@H+]2CCC=C(F)C2)CCN1C1CC1 ZINC000334364410 135372589 /nfs/dbraw/zinc/37/25/89/135372589.db2.gz MWVNGTYFLXFPCD-LLVKDONJSA-N 1 2 224.279 1.309 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCOC2)oc1C ZINC000334398908 135387901 /nfs/dbraw/zinc/38/79/01/135387901.db2.gz DOFFINVHZROQIL-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCCOC2)oc1C ZINC000334398908 135387902 /nfs/dbraw/zinc/38/79/02/135387902.db2.gz DOFFINVHZROQIL-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(CC(N)=O)cc1 ZINC000090165995 135546480 /nfs/dbraw/zinc/54/64/80/135546480.db2.gz KPZOQLFZEKKREE-UHFFFAOYSA-N 1 2 244.298 1.060 20 0 BDADLO FC1(F)COCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000334582280 135756964 /nfs/dbraw/zinc/75/69/64/135756964.db2.gz HVEKRBNZJKKSBL-VIFPVBQESA-N 1 2 237.315 1.707 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000334582280 135756965 /nfs/dbraw/zinc/75/69/65/135756965.db2.gz HVEKRBNZJKKSBL-VIFPVBQESA-N 1 2 237.315 1.707 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000335166338 135926946 /nfs/dbraw/zinc/92/69/46/135926946.db2.gz AKUWIPDRLCYRGB-UHFFFAOYSA-N 1 2 245.326 1.347 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2ncccn2)ccn1 ZINC000347650072 136000982 /nfs/dbraw/zinc/00/09/82/136000982.db2.gz KHMABBMXFKKLTQ-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347713782 136003044 /nfs/dbraw/zinc/00/30/44/136003044.db2.gz CWAVCJSHQVARLY-MRVPVSSYSA-N 1 2 231.246 1.092 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347713782 136003045 /nfs/dbraw/zinc/00/30/45/136003045.db2.gz CWAVCJSHQVARLY-MRVPVSSYSA-N 1 2 231.246 1.092 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000347724260 136003608 /nfs/dbraw/zinc/00/36/08/136003608.db2.gz ZKMJFYHKRUOFOJ-VXGBXAGGSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000347724260 136003609 /nfs/dbraw/zinc/00/36/09/136003609.db2.gz ZKMJFYHKRUOFOJ-VXGBXAGGSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000347776734 136009447 /nfs/dbraw/zinc/00/94/47/136009447.db2.gz LXUWMUIRUAWZHS-GHMZBOCLSA-N 1 2 248.330 1.591 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@H](C)Cn2cccn2)o1 ZINC000347962308 136017707 /nfs/dbraw/zinc/01/77/07/136017707.db2.gz DPEZZGFVCNLSQI-ZJUUUORDSA-N 1 2 249.318 1.568 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCCC(=O)OC)C(=O)OC ZINC000348012720 136021431 /nfs/dbraw/zinc/02/14/31/136021431.db2.gz UNYLRUYLGSHOAS-MWLCHTKSSA-N 1 2 245.319 1.117 20 0 BDADLO Cc1ncccc1C(=O)NCc1[nH+]ccn1C ZINC000335314396 136032017 /nfs/dbraw/zinc/03/20/17/136032017.db2.gz NEAYXKXEODAYOQ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000335319836 136033872 /nfs/dbraw/zinc/03/38/72/136033872.db2.gz BXGCXLBVGYPPCB-APPZFPTMSA-N 1 2 226.226 1.652 20 0 BDADLO COC[C@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335339159 136045376 /nfs/dbraw/zinc/04/53/76/136045376.db2.gz JPIZMILGGHPSOZ-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO COC[C@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000335339159 136045377 /nfs/dbraw/zinc/04/53/77/136045377.db2.gz JPIZMILGGHPSOZ-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO CN(Cc1ccco1)C(=O)NCc1[nH+]ccn1C ZINC000348213451 136045488 /nfs/dbraw/zinc/04/54/88/136045488.db2.gz BQUVRMJBAKDDJW-UHFFFAOYSA-N 1 2 248.286 1.355 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCSC1 ZINC000335327288 136052353 /nfs/dbraw/zinc/05/23/53/136052353.db2.gz PDOMFWUOGPAHIW-SNVBAGLBSA-N 1 2 236.340 1.894 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000335334629 136055662 /nfs/dbraw/zinc/05/56/62/136055662.db2.gz SGWXBWZSFOMMJV-SECBINFHSA-N 1 2 207.277 1.140 20 0 BDADLO Cc1ncc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000348302919 136064890 /nfs/dbraw/zinc/06/48/90/136064890.db2.gz NNXLEFMSGNDQTB-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000335346234 136066564 /nfs/dbraw/zinc/06/65/64/136066564.db2.gz QOIWWSJXUBNNBZ-RKDXNWHRSA-N 1 2 223.276 1.015 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)c(C)n1 ZINC000335352153 136069718 /nfs/dbraw/zinc/06/97/18/136069718.db2.gz RSRKBTOJBAKONX-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1ccc(F)cn1 ZINC000348380197 136074207 /nfs/dbraw/zinc/07/42/07/136074207.db2.gz VSWUAXMLCCTXOC-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000348380197 136074208 /nfs/dbraw/zinc/07/42/08/136074208.db2.gz VSWUAXMLCCTXOC-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CCCSCC2)n1 ZINC000348471111 136079971 /nfs/dbraw/zinc/07/99/71/136079971.db2.gz SUYMVPVZASUVQA-UHFFFAOYSA-N 1 2 242.348 1.075 20 0 BDADLO CN(C)c1noc(C[N@H+]2CCCSCC2)n1 ZINC000348471111 136079972 /nfs/dbraw/zinc/07/99/72/136079972.db2.gz SUYMVPVZASUVQA-UHFFFAOYSA-N 1 2 242.348 1.075 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000335371937 136084088 /nfs/dbraw/zinc/08/40/88/136084088.db2.gz PHYWWSQYZGNVJX-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000335371937 136084089 /nfs/dbraw/zinc/08/40/89/136084089.db2.gz PHYWWSQYZGNVJX-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Cl)CC[C@@H]1O ZINC000335395732 136092803 /nfs/dbraw/zinc/09/28/03/136092803.db2.gz PMGIVQBHLXEHSR-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)CC[C@@H]1O ZINC000335395732 136092804 /nfs/dbraw/zinc/09/28/04/136092804.db2.gz PMGIVQBHLXEHSR-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1(CF)CCC1 ZINC000335397490 136092919 /nfs/dbraw/zinc/09/29/19/136092919.db2.gz YVGFQWONYHEWJG-UHFFFAOYSA-N 1 2 237.278 1.826 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335548655 136097488 /nfs/dbraw/zinc/09/74/88/136097488.db2.gz PUSCEJBPZDYZHO-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335548661 136097496 /nfs/dbraw/zinc/09/74/96/136097496.db2.gz PUSCEJBPZDYZHO-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO Cc1ccc(NC(=O)CC2(O)CCC2)c(C)[nH+]1 ZINC000335583430 136101078 /nfs/dbraw/zinc/10/10/78/136101078.db2.gz YPEPKFYLJVWZRD-UHFFFAOYSA-N 1 2 234.299 1.942 20 0 BDADLO CC(C)n1cc(C[N@H+](C)[C@H]2CCCOC2)nn1 ZINC000348710198 136116810 /nfs/dbraw/zinc/11/68/10/136116810.db2.gz NUXJGVVZTJYKHI-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)[C@H]2CCCOC2)nn1 ZINC000348710198 136116811 /nfs/dbraw/zinc/11/68/11/136116811.db2.gz NUXJGVVZTJYKHI-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CC[C@@H]1CCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000388703400 397838125 /nfs/dbraw/zinc/83/81/25/397838125.db2.gz OKESGDCYWHWTFN-RKDXNWHRSA-N 1 2 221.308 1.583 20 0 BDADLO CC[C@@H]1CCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000388703400 397838126 /nfs/dbraw/zinc/83/81/26/397838126.db2.gz OKESGDCYWHWTFN-RKDXNWHRSA-N 1 2 221.308 1.583 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC(=O)N1CCCC1 ZINC000190769279 397887060 /nfs/dbraw/zinc/88/70/60/397887060.db2.gz UOCMZKRKGGBVPA-UHFFFAOYSA-N 1 2 248.326 1.954 20 0 BDADLO CO[C@H]([C@H](C)[NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000388356418 397889913 /nfs/dbraw/zinc/88/99/13/397889913.db2.gz QVJRFUYPSPEYMC-JOYOIKCWSA-N 1 2 223.320 1.621 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000440526319 397929238 /nfs/dbraw/zinc/92/92/38/397929238.db2.gz XJGRFNULSLPTPR-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO CC(C)n1ccc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000265338543 397932849 /nfs/dbraw/zinc/93/28/49/397932849.db2.gz OSLHFARXXGFAIO-LBPRGKRZSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1ccc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000265338543 397932853 /nfs/dbraw/zinc/93/28/53/397932853.db2.gz OSLHFARXXGFAIO-LBPRGKRZSA-N 1 2 223.320 1.685 20 0 BDADLO C[C@@H](O)C[N@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000594056830 397966248 /nfs/dbraw/zinc/96/62/48/397966248.db2.gz ZFXQGBLWNIWFDY-SECBINFHSA-N 1 2 229.320 1.173 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000594056830 397966253 /nfs/dbraw/zinc/96/62/53/397966253.db2.gz ZFXQGBLWNIWFDY-SECBINFHSA-N 1 2 229.320 1.173 20 0 BDADLO C[C@@H](C(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000267248410 397944151 /nfs/dbraw/zinc/94/41/51/397944151.db2.gz UEISKDSTPHOPIE-SNVBAGLBSA-N 1 2 233.315 1.656 20 0 BDADLO CCCc1nsc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000382447843 397949594 /nfs/dbraw/zinc/94/95/94/397949594.db2.gz KPGRDJZHGSMHMM-BDAKNGLRSA-N 1 2 240.376 1.594 20 0 BDADLO CCN(CC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493511184 397955692 /nfs/dbraw/zinc/95/56/92/397955692.db2.gz HUSYQAUUJQRTDF-WAYWQWQTSA-N 1 2 219.288 1.681 20 0 BDADLO CC(=O)CN(CC(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493552221 397957745 /nfs/dbraw/zinc/95/77/45/397957745.db2.gz JKGRFBMUFZVSGP-SNAWJCMRSA-N 1 2 249.314 1.497 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(C)nc1C ZINC000360053431 397960130 /nfs/dbraw/zinc/96/01/30/397960130.db2.gz KHXVENFRMHPRDO-UHFFFAOYSA-N 1 2 236.315 1.693 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(C)nc1C ZINC000360053431 397960131 /nfs/dbraw/zinc/96/01/31/397960131.db2.gz KHXVENFRMHPRDO-UHFFFAOYSA-N 1 2 236.315 1.693 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000271132123 397962803 /nfs/dbraw/zinc/96/28/03/397962803.db2.gz QJQBVNQJOAHEAF-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000271132123 397962804 /nfs/dbraw/zinc/96/28/04/397962804.db2.gz QJQBVNQJOAHEAF-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO CO[C@@H]1CCC[C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000334180035 397912233 /nfs/dbraw/zinc/91/22/33/397912233.db2.gz DPXDYASEJOOBPD-VXGBXAGGSA-N 1 2 248.326 1.956 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334212530 397913977 /nfs/dbraw/zinc/91/39/77/397913977.db2.gz RPIUPYKYRLFIKK-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000334212530 397913980 /nfs/dbraw/zinc/91/39/80/397913980.db2.gz RPIUPYKYRLFIKK-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@@H](C)O1 ZINC000649528977 397921185 /nfs/dbraw/zinc/92/11/85/397921185.db2.gz ZVYHVUAAICWPCC-BXUZGUMPSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@@H](C)O1 ZINC000649528977 397921189 /nfs/dbraw/zinc/92/11/89/397921189.db2.gz ZVYHVUAAICWPCC-BXUZGUMPSA-N 1 2 249.358 1.829 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCCC(F)(F)C2)CCN1 ZINC000649695760 398045017 /nfs/dbraw/zinc/04/50/17/398045017.db2.gz HUFGZAGZKHCOCD-JTQLQIEISA-N 1 2 246.301 1.634 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCCC(F)(F)C2)CCN1 ZINC000649695760 398045020 /nfs/dbraw/zinc/04/50/20/398045020.db2.gz HUFGZAGZKHCOCD-JTQLQIEISA-N 1 2 246.301 1.634 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](CC(F)F)CC12CCC2 ZINC000373176562 398016769 /nfs/dbraw/zinc/01/67/69/398016769.db2.gz BXKLMBGRHFCCBK-QMMMGPOBSA-N 1 2 233.258 1.527 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](CC(F)F)CC12CCC2 ZINC000373176562 398016773 /nfs/dbraw/zinc/01/67/73/398016773.db2.gz BXKLMBGRHFCCBK-QMMMGPOBSA-N 1 2 233.258 1.527 20 0 BDADLO CCN(CCC(=O)OC)c1cc[nH+]c(C)n1 ZINC000054937381 398019965 /nfs/dbraw/zinc/01/99/65/398019965.db2.gz OLRKTZMCWFPGLE-UHFFFAOYSA-N 1 2 223.276 1.174 20 0 BDADLO FC1(F)CCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000649694949 398042978 /nfs/dbraw/zinc/04/29/78/398042978.db2.gz ARRLSPSAJDYFTP-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CCC[N@H+]([C@@H]2CCCOC2)C1 ZINC000649694949 398042981 /nfs/dbraw/zinc/04/29/81/398042981.db2.gz ARRLSPSAJDYFTP-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000272628013 397981742 /nfs/dbraw/zinc/98/17/42/397981742.db2.gz VVHCRBPWFUZONK-LLVKDONJSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000272628013 397981748 /nfs/dbraw/zinc/98/17/48/397981748.db2.gz VVHCRBPWFUZONK-LLVKDONJSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649592269 397986403 /nfs/dbraw/zinc/98/64/03/397986403.db2.gz ZKTVSTWTMXJUEQ-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649592269 397986408 /nfs/dbraw/zinc/98/64/08/397986408.db2.gz ZKTVSTWTMXJUEQ-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cncs2)[C@@H]1C ZINC000093417832 397988502 /nfs/dbraw/zinc/98/85/02/397988502.db2.gz UDZJEPPQDAAOKT-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cncs2)[C@@H]1C ZINC000093417832 397988506 /nfs/dbraw/zinc/98/85/06/397988506.db2.gz UDZJEPPQDAAOKT-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc2c1OCO2 ZINC000583714023 398063308 /nfs/dbraw/zinc/06/33/08/398063308.db2.gz XUDAYSWYLQKLFH-UHFFFAOYSA-N 1 2 245.238 1.251 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)C)[C@@H](CC)CO1 ZINC000649722012 398065980 /nfs/dbraw/zinc/06/59/80/398065980.db2.gz GYOOCRWZMXIUQA-RYUDHWBXSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)C)[C@@H](CC)CO1 ZINC000649722012 398065983 /nfs/dbraw/zinc/06/59/83/398065983.db2.gz GYOOCRWZMXIUQA-RYUDHWBXSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1nnsc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000384141387 398070230 /nfs/dbraw/zinc/07/02/30/398070230.db2.gz DMJGOOVJBCHDBK-CBAPKCEASA-N 1 2 249.343 1.839 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@H](C)CO1 ZINC000649731338 398070787 /nfs/dbraw/zinc/07/07/87/398070787.db2.gz GGMHYCVBONDDSV-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@H](C)CO1 ZINC000649731338 398070792 /nfs/dbraw/zinc/07/07/92/398070792.db2.gz GGMHYCVBONDDSV-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CCN(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283269971 398071364 /nfs/dbraw/zinc/07/13/64/398071364.db2.gz VPWJYKZKWDYNFC-ONEGZZNKSA-N 1 2 229.230 1.537 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000649732289 398072621 /nfs/dbraw/zinc/07/26/21/398072621.db2.gz VLMWTYIUJXSKDE-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000649732289 398072624 /nfs/dbraw/zinc/07/26/24/398072624.db2.gz VLMWTYIUJXSKDE-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000649732288 398072667 /nfs/dbraw/zinc/07/26/67/398072667.db2.gz VLMWTYIUJXSKDE-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@@H](C)CO1 ZINC000649732288 398072669 /nfs/dbraw/zinc/07/26/69/398072669.db2.gz VLMWTYIUJXSKDE-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO COc1nccnc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000648504902 398073263 /nfs/dbraw/zinc/07/32/63/398073263.db2.gz ROAJCHQIOFDGKW-VHSXEESVSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccnc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000648504902 398073265 /nfs/dbraw/zinc/07/32/65/398073265.db2.gz ROAJCHQIOFDGKW-VHSXEESVSA-N 1 2 239.294 1.665 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)[C@@H](C)CO1 ZINC000649734549 398074380 /nfs/dbraw/zinc/07/43/80/398074380.db2.gz YJNIIQGRPBAKFQ-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)[C@@H](C)CO1 ZINC000649734549 398074383 /nfs/dbraw/zinc/07/43/83/398074383.db2.gz YJNIIQGRPBAKFQ-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@H](C)CO1 ZINC000649736481 398077891 /nfs/dbraw/zinc/07/78/91/398077891.db2.gz BMYAYPCQQWLTLI-BXUZGUMPSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@H](C)CO1 ZINC000649736481 398077895 /nfs/dbraw/zinc/07/78/95/398077895.db2.gz BMYAYPCQQWLTLI-BXUZGUMPSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2snnc2C)[C@H](C)CO1 ZINC000649736890 398078893 /nfs/dbraw/zinc/07/88/93/398078893.db2.gz LXJCLJNFMSSAMD-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2snnc2C)[C@H](C)CO1 ZINC000649736890 398078895 /nfs/dbraw/zinc/07/88/95/398078895.db2.gz LXJCLJNFMSSAMD-PSASIEDQSA-N 1 2 241.360 1.846 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(F)cc1 ZINC000186980978 398080603 /nfs/dbraw/zinc/08/06/03/398080603.db2.gz GMRIFIVEAGVAKO-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000186980978 398080604 /nfs/dbraw/zinc/08/06/04/398080604.db2.gz GMRIFIVEAGVAKO-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO Cc1nnc(C[NH+]2CCC3(CC3(F)F)CC2)o1 ZINC000649772922 398095019 /nfs/dbraw/zinc/09/50/19/398095019.db2.gz CPBDVICSPLVUET-UHFFFAOYSA-N 1 2 243.257 1.999 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000602915296 398083600 /nfs/dbraw/zinc/08/36/00/398083600.db2.gz MQCCUAHHVMFSIC-UHFFFAOYSA-N 1 2 245.326 1.553 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2c(O)cccc2C1 ZINC000602915296 398083602 /nfs/dbraw/zinc/08/36/02/398083602.db2.gz MQCCUAHHVMFSIC-UHFFFAOYSA-N 1 2 245.326 1.553 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)[C@H]1CCCOC1 ZINC000649755157 398085421 /nfs/dbraw/zinc/08/54/21/398085421.db2.gz GTLOYWSHGKRVGY-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)[C@H]1CCCOC1 ZINC000649755157 398085423 /nfs/dbraw/zinc/08/54/23/398085423.db2.gz GTLOYWSHGKRVGY-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CCCOC1 ZINC000649755135 398085510 /nfs/dbraw/zinc/08/55/10/398085510.db2.gz GDJHBTSPKUZLLA-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CCCOC1 ZINC000649755135 398085511 /nfs/dbraw/zinc/08/55/11/398085511.db2.gz GDJHBTSPKUZLLA-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1nc(C)no1)[C@@H]1CCCOC1 ZINC000649755488 398086168 /nfs/dbraw/zinc/08/61/68/398086168.db2.gz PGUBKRYPMVXXTI-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1nc(C)no1)[C@@H]1CCCOC1 ZINC000649755488 398086170 /nfs/dbraw/zinc/08/61/70/398086170.db2.gz PGUBKRYPMVXXTI-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1noc(C)n1)[C@@H]1CCCOC1 ZINC000649759851 398089769 /nfs/dbraw/zinc/08/97/69/398089769.db2.gz XNRTWPGCPIHXFV-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1noc(C)n1)[C@@H]1CCCOC1 ZINC000649759851 398089773 /nfs/dbraw/zinc/08/97/73/398089773.db2.gz XNRTWPGCPIHXFV-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCCC[C@H](COC)[NH2+]CC(F)(F)CO ZINC000184707678 398051064 /nfs/dbraw/zinc/05/10/64/398051064.db2.gz VZLWERQXCPDAKI-SECBINFHSA-N 1 2 225.279 1.409 20 0 BDADLO Cc1cc(C[NH2+]Cc2cocn2)ccn1 ZINC000395039336 398051275 /nfs/dbraw/zinc/05/12/75/398051275.db2.gz CWWIVOXHGYOFKF-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000189578145 398057906 /nfs/dbraw/zinc/05/79/06/398057906.db2.gz KSABQQZSKUZJDD-DGCLKSJQSA-N 1 2 238.331 1.433 20 0 BDADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000189578145 398057912 /nfs/dbraw/zinc/05/79/12/398057912.db2.gz KSABQQZSKUZJDD-DGCLKSJQSA-N 1 2 238.331 1.433 20 0 BDADLO CC1(C)OCC[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000649792235 398102721 /nfs/dbraw/zinc/10/27/21/398102721.db2.gz MDUQMSMWBVOTEU-ZETCQYMHSA-N 1 2 247.751 1.849 20 0 BDADLO CC1(C)C[C@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621255473 398109002 /nfs/dbraw/zinc/10/90/02/398109002.db2.gz PXUGEPPVLPVCRF-SSDOTTSWSA-N 1 2 245.286 1.267 20 0 BDADLO CO[C@@H](C)CN(C)c1cc(CO)cc[nH+]1 ZINC000389592220 398115817 /nfs/dbraw/zinc/11/58/17/398115817.db2.gz MQGRBSAUDKXBPB-VIFPVBQESA-N 1 2 210.277 1.045 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C(C)C)CC2)c[nH+]1 ZINC000293984735 398119603 /nfs/dbraw/zinc/11/96/03/398119603.db2.gz RWGQEMTVXNCPLG-UHFFFAOYSA-N 1 2 207.277 1.637 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2CF)cn1 ZINC000294036637 398120570 /nfs/dbraw/zinc/12/05/70/398120570.db2.gz OOFPNGKDJFOGLX-LLVKDONJSA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2CF)cn1 ZINC000294036637 398120573 /nfs/dbraw/zinc/12/05/73/398120573.db2.gz OOFPNGKDJFOGLX-LLVKDONJSA-N 1 2 238.310 1.477 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000193352374 398110618 /nfs/dbraw/zinc/11/06/18/398110618.db2.gz BVOKKSYNYPTEFF-VHSXEESVSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncnc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000193352374 398110620 /nfs/dbraw/zinc/11/06/20/398110620.db2.gz BVOKKSYNYPTEFF-VHSXEESVSA-N 1 2 240.376 1.624 20 0 BDADLO Cc1nc(C[NH+]2CCC([C@@H](C)CO)CC2)no1 ZINC000649803483 398111519 /nfs/dbraw/zinc/11/15/19/398111519.db2.gz KFVGJSBXIMNPMS-VIFPVBQESA-N 1 2 239.319 1.218 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354334331 398128596 /nfs/dbraw/zinc/12/85/96/398128596.db2.gz ZWTBCOFOFOAXAG-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649209323 398129290 /nfs/dbraw/zinc/12/92/90/398129290.db2.gz OVVRYBXPXZXVFJ-LBPRGKRZSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649211432 398129539 /nfs/dbraw/zinc/12/95/39/398129539.db2.gz KVHCGWPUPWNSJJ-NWDGAFQWSA-N 1 2 249.358 1.950 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C)C2(CCC2)CO1 ZINC000649821567 398122667 /nfs/dbraw/zinc/12/26/67/398122667.db2.gz KZFDNSVQHRXNJT-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO CC(C)[NH2+]c1ccc(OCCC(N)=O)cc1 ZINC000036934266 167146317 /nfs/dbraw/zinc/14/63/17/167146317.db2.gz VPAWUNYYJUXFRR-UHFFFAOYSA-N 1 2 222.288 1.761 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C1(CO)CCC1 ZINC000668802166 487563498 /nfs/dbraw/zinc/56/34/98/487563498.db2.gz GLXPQPDQHZUXOF-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C1(CO)CCC1 ZINC000668802166 487563502 /nfs/dbraw/zinc/56/35/02/487563502.db2.gz GLXPQPDQHZUXOF-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000530719497 322891144 /nfs/dbraw/zinc/89/11/44/322891144.db2.gz PGAJUZWPHYONTJ-NWDGAFQWSA-N 1 2 245.326 1.656 20 0 BDADLO CC(C)OCCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330543056 167216885 /nfs/dbraw/zinc/21/68/85/167216885.db2.gz ATCLVNNQPSVUJA-ZJUUUORDSA-N 1 2 232.299 1.749 20 0 BDADLO CC(C)OCCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330543056 167216888 /nfs/dbraw/zinc/21/68/88/167216888.db2.gz ATCLVNNQPSVUJA-ZJUUUORDSA-N 1 2 232.299 1.749 20 0 BDADLO Cn1c[nH+]cc1CNc1cnoc1C1CC1 ZINC000556472919 322913648 /nfs/dbraw/zinc/91/36/48/322913648.db2.gz OZJRQLFXMHPOAR-UHFFFAOYSA-N 1 2 218.260 1.898 20 0 BDADLO Oc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000685850354 487589628 /nfs/dbraw/zinc/58/96/28/487589628.db2.gz YPBGDSOVRHLHOL-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO CC[C@H](C[N@@H+]1Cc2ccccc2NC(=O)C1)OC ZINC000653828842 487594807 /nfs/dbraw/zinc/59/48/07/487594807.db2.gz HVISDJFPHUFUNB-GFCCVEGCSA-N 1 2 248.326 1.866 20 0 BDADLO CC[C@H](C[N@H+]1Cc2ccccc2NC(=O)C1)OC ZINC000653828842 487594810 /nfs/dbraw/zinc/59/48/10/487594810.db2.gz HVISDJFPHUFUNB-GFCCVEGCSA-N 1 2 248.326 1.866 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC12CCCC2 ZINC000574953108 487595526 /nfs/dbraw/zinc/59/55/26/487595526.db2.gz BAGAWFUJRMAJSU-JTQLQIEISA-N 1 2 248.330 1.552 20 0 BDADLO CC(C)=CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682953586 487596342 /nfs/dbraw/zinc/59/63/42/487596342.db2.gz LZVXEJFKTAGVCJ-NSHDSACASA-N 1 2 233.315 1.528 20 0 BDADLO Cc1cccc(CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000530540211 487599470 /nfs/dbraw/zinc/59/94/70/487599470.db2.gz SGNNXGBIFMUHMT-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cccc(CNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000530540211 487599474 /nfs/dbraw/zinc/59/94/74/487599474.db2.gz SGNNXGBIFMUHMT-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2csnn2)C[C@@H]1C ZINC000660719614 409645067 /nfs/dbraw/zinc/64/50/67/409645067.db2.gz DFYAIAQEODHTEL-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1C ZINC000660719614 409645077 /nfs/dbraw/zinc/64/50/77/409645077.db2.gz DFYAIAQEODHTEL-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CCCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660727715 409668690 /nfs/dbraw/zinc/66/86/90/409668690.db2.gz KVZSMNDRYAPOSN-UHFFFAOYSA-N 1 2 219.350 1.296 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCOC2CCC2)CCO1 ZINC000662369041 409675559 /nfs/dbraw/zinc/67/55/59/409675559.db2.gz KTNFAPMNMPSZMY-LBPRGKRZSA-N 1 2 249.301 1.912 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCOC2CCC2)CCO1 ZINC000662369041 409675567 /nfs/dbraw/zinc/67/55/67/409675567.db2.gz KTNFAPMNMPSZMY-LBPRGKRZSA-N 1 2 249.301 1.912 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2cn(C)c[nH+]2)n1 ZINC000660926929 409974375 /nfs/dbraw/zinc/97/43/75/409974375.db2.gz ULSGUQFMSFWCGH-MRVPVSSYSA-N 1 2 235.291 1.305 20 0 BDADLO CSc1ccc[nH+]c1NCc1cnnn1C ZINC000651971788 409943583 /nfs/dbraw/zinc/94/35/83/409943583.db2.gz VGHWKQVIRLJNMA-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO C[C@@H](NC(=O)c1ncoc1C1CC1)c1[nH]cc[nH+]1 ZINC000655401968 410204835 /nfs/dbraw/zinc/20/48/35/410204835.db2.gz NFUQBRZRHBEXDC-SSDOTTSWSA-N 1 2 246.270 1.766 20 0 BDADLO Cc1c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ccn1C ZINC000655403534 410209386 /nfs/dbraw/zinc/20/93/86/410209386.db2.gz WNIRGZVWJICSNB-MRVPVSSYSA-N 1 2 232.287 1.548 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(F)F ZINC000661250988 410416988 /nfs/dbraw/zinc/41/69/88/410416988.db2.gz ZQMAAWMSKPMLSL-UHFFFAOYSA-N 1 2 246.261 1.596 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(F)F ZINC000661250988 410416994 /nfs/dbraw/zinc/41/69/94/410416994.db2.gz ZQMAAWMSKPMLSL-UHFFFAOYSA-N 1 2 246.261 1.596 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC12CCC2 ZINC000650788828 410436121 /nfs/dbraw/zinc/43/61/21/410436121.db2.gz WRCACLRXUNAXNU-JTQLQIEISA-N 1 2 233.315 1.709 20 0 BDADLO Cc1ccc(SC[C@H]2C[N@H+](C)CCO2)nn1 ZINC000664052110 410448012 /nfs/dbraw/zinc/44/80/12/410448012.db2.gz ZNKMPYMIDFJOBL-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1ccc(SC[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000664052110 410448017 /nfs/dbraw/zinc/44/80/17/410448017.db2.gz ZNKMPYMIDFJOBL-SNVBAGLBSA-N 1 2 239.344 1.208 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](C)n3ncnc32)cc[nH+]1 ZINC000664188403 410512372 /nfs/dbraw/zinc/51/23/72/410512372.db2.gz UMYNENXQULSQRO-CBAPKCEASA-N 1 2 230.275 1.494 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](C)n3ncnc32)nc[nH+]1 ZINC000664189149 410513032 /nfs/dbraw/zinc/51/30/32/410513032.db2.gz ZICZFBYELGXMKY-RKDXNWHRSA-N 1 2 230.275 1.494 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccn(C)c2)[nH+]1 ZINC000635643885 410533432 /nfs/dbraw/zinc/53/34/32/410533432.db2.gz AZYLKPHZKDXXEU-UHFFFAOYSA-N 1 2 246.314 1.170 20 0 BDADLO Cn1nnc(C[NH+]2CCC(C3CCC3)CC2)n1 ZINC000661373741 410590677 /nfs/dbraw/zinc/59/06/77/410590677.db2.gz GGTIYKORUKCPKA-UHFFFAOYSA-N 1 2 235.335 1.222 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@](C)(CO)C2)c(C)c(C)[nH+]1 ZINC000664599376 410610459 /nfs/dbraw/zinc/61/04/59/410610459.db2.gz WHACIYYVRXHISO-OTYXRUKQSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC000661405114 410618021 /nfs/dbraw/zinc/61/80/21/410618021.db2.gz BQLPPCFXIUIBOS-MXWKQRLJSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC000661405114 410618026 /nfs/dbraw/zinc/61/80/26/410618026.db2.gz BQLPPCFXIUIBOS-MXWKQRLJSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1CC(C[N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000661415559 410629829 /nfs/dbraw/zinc/62/98/29/410629829.db2.gz ZLQUGMLAFXVERF-ILDUYXDCSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1CC(C[N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000661415559 410629834 /nfs/dbraw/zinc/62/98/34/410629834.db2.gz ZLQUGMLAFXVERF-ILDUYXDCSA-N 1 2 249.301 1.503 20 0 BDADLO Cc1nnc(C[N@H+](C)CCO[C@H]2CC2(F)F)o1 ZINC000661529011 410730570 /nfs/dbraw/zinc/73/05/70/410730570.db2.gz YEVDKWCIYWOUPX-QMMMGPOBSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCO[C@H]2CC2(F)F)o1 ZINC000661529011 410730572 /nfs/dbraw/zinc/73/05/72/410730572.db2.gz YEVDKWCIYWOUPX-QMMMGPOBSA-N 1 2 247.245 1.234 20 0 BDADLO CC(C)NC(=O)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000264622191 167048403 /nfs/dbraw/zinc/04/84/03/167048403.db2.gz INUDPBVJDFYUTG-UHFFFAOYSA-N 1 2 248.330 1.315 20 0 BDADLO COc1ccc(N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000651299849 410905575 /nfs/dbraw/zinc/90/55/75/410905575.db2.gz XDUSCUCJITVPSM-JTQLQIEISA-N 1 2 230.271 1.844 20 0 BDADLO CC(C)OC(=O)[C@@H](C)N(C)CCn1cc[nH+]c1 ZINC000131719862 167168062 /nfs/dbraw/zinc/16/80/62/167168062.db2.gz HCRLZRAUWFUPFO-LLVKDONJSA-N 1 2 239.319 1.155 20 0 BDADLO COc1ccc(N[C@H](C)Cc2cnccn2)[nH+]c1 ZINC000651300077 410908870 /nfs/dbraw/zinc/90/88/70/410908870.db2.gz TWQXYXHDFNENNV-SNVBAGLBSA-N 1 2 244.298 1.923 20 0 BDADLO CC(C)OCCC(=O)NCCCn1cc[nH+]c1 ZINC000298364374 167199538 /nfs/dbraw/zinc/19/95/38/167199538.db2.gz USYFHTYMHTXGOY-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CC(C)Oc1nccnc1NCc1[nH+]ccn1C ZINC000359705978 167314931 /nfs/dbraw/zinc/31/49/31/167314931.db2.gz ITMZLSKMILHGFL-UHFFFAOYSA-N 1 2 247.302 1.031 20 0 BDADLO CC(C)[C@@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290950796 167355645 /nfs/dbraw/zinc/35/56/45/167355645.db2.gz PYZNJPBFIUAVMN-NSHDSACASA-N 1 2 235.331 1.908 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283517496 167361631 /nfs/dbraw/zinc/36/16/31/167361631.db2.gz QGKLUNXKEHXVEO-BRAIEQGRSA-N 1 2 221.304 1.926 20 0 BDADLO CC(C)[C@@H](C)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268246149 167388139 /nfs/dbraw/zinc/38/81/39/167388139.db2.gz YMCIIPRVCJJSER-SECBINFHSA-N 1 2 230.333 1.379 20 0 BDADLO CC(C)[C@@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000227849466 167394081 /nfs/dbraw/zinc/39/40/81/167394081.db2.gz DYVIFFIHDQEAKC-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)[C@@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000227849466 167394084 /nfs/dbraw/zinc/39/40/84/167394084.db2.gz DYVIFFIHDQEAKC-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC000651323100 410920177 /nfs/dbraw/zinc/92/01/77/410920177.db2.gz POWOESIDYMFBHV-WDEREUQCSA-N 1 2 235.331 1.997 20 0 BDADLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000041362636 410920479 /nfs/dbraw/zinc/92/04/79/410920479.db2.gz PLQDFTPZDORQCQ-VIFPVBQESA-N 1 2 223.276 1.488 20 0 BDADLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000041362636 410920484 /nfs/dbraw/zinc/92/04/84/410920484.db2.gz PLQDFTPZDORQCQ-VIFPVBQESA-N 1 2 223.276 1.488 20 0 BDADLO CN(C[C@@H]1CCCO1)c1cc(CO)cc[nH+]1 ZINC000042465309 411005723 /nfs/dbraw/zinc/00/57/23/411005723.db2.gz JMQKRLYEEHAJJA-NSHDSACASA-N 1 2 222.288 1.189 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)C(C)(C)O)n1cc[nH+]c1 ZINC000651423395 411008735 /nfs/dbraw/zinc/00/87/35/411008735.db2.gz NYQFWECMERPCCA-UWVGGRQHSA-N 1 2 239.319 1.110 20 0 BDADLO O=C1C[N@H+](Cc2cccc3c2CCC3)CCN1 ZINC000651607297 411129475 /nfs/dbraw/zinc/12/94/75/411129475.db2.gz KCTXXIOMEYCOPD-UHFFFAOYSA-N 1 2 230.311 1.107 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3c2CCC3)CCN1 ZINC000651607297 411129478 /nfs/dbraw/zinc/12/94/78/411129478.db2.gz KCTXXIOMEYCOPD-UHFFFAOYSA-N 1 2 230.311 1.107 20 0 BDADLO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccn[nH]1 ZINC000651672406 411134695 /nfs/dbraw/zinc/13/46/95/411134695.db2.gz ZVDHZBWWYRJQDL-LLVKDONJSA-N 1 2 225.336 1.951 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2CC)[C@H](C)CO1 ZINC000651931476 411150790 /nfs/dbraw/zinc/15/07/90/411150790.db2.gz UDQREEZNRGGSLP-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2CC)[C@H](C)CO1 ZINC000651931476 411150791 /nfs/dbraw/zinc/15/07/91/411150791.db2.gz UDQREEZNRGGSLP-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H](CC(=O)N1CC(C)(F)C1)n1cc[nH+]c1 ZINC000651946734 411158452 /nfs/dbraw/zinc/15/84/52/411158452.db2.gz XNGIOYLXPAGDKN-VIFPVBQESA-N 1 2 225.267 1.405 20 0 BDADLO COCc1cc[nH+]c(NC2CCOCC2)c1 ZINC000652068720 411104751 /nfs/dbraw/zinc/10/47/51/411104751.db2.gz MMAWWTKDIUPLEI-UHFFFAOYSA-N 1 2 222.288 1.819 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000047976204 411170535 /nfs/dbraw/zinc/17/05/35/411170535.db2.gz VSJRNTKCQRENGI-RKDXNWHRSA-N 1 2 219.288 1.742 20 0 BDADLO COC[C@@H](C[N@H+](CC(F)F)C(C)C)OC ZINC000660017551 411176572 /nfs/dbraw/zinc/17/65/72/411176572.db2.gz MYWBTTGVHYHVGP-SECBINFHSA-N 1 2 225.279 1.623 20 0 BDADLO COC[C@@H](C[N@@H+](CC(F)F)C(C)C)OC ZINC000660017551 411176575 /nfs/dbraw/zinc/17/65/75/411176575.db2.gz MYWBTTGVHYHVGP-SECBINFHSA-N 1 2 225.279 1.623 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)Cc1cccnc1 ZINC000656105983 411180019 /nfs/dbraw/zinc/18/00/19/411180019.db2.gz QLUNWRIQEKQHEI-UHFFFAOYSA-N 1 2 244.298 1.825 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCC[C@@H](O)C1 ZINC000656110179 411180873 /nfs/dbraw/zinc/18/08/73/411180873.db2.gz XJRVKWYJQMUTTC-VHSXEESVSA-N 1 2 237.303 1.509 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@H]1CCCO1 ZINC000656116890 411182082 /nfs/dbraw/zinc/18/20/82/411182082.db2.gz CLMKCNPILJMWOB-SNVBAGLBSA-N 1 2 237.303 1.409 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@](C)(O)C(C)C ZINC000656125882 411183214 /nfs/dbraw/zinc/18/32/14/411183214.db2.gz VAQKUBJSWQIZEQ-GFCCVEGCSA-N 1 2 239.319 1.613 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@]1(C)CCOC1 ZINC000656125463 411183246 /nfs/dbraw/zinc/18/32/46/411183246.db2.gz ODGNKGQFWXFRIU-GFCCVEGCSA-N 1 2 237.303 1.632 20 0 BDADLO CC[C@H](O)CCCNc1nc[nH+]c(C)c1OC ZINC000656127927 411183481 /nfs/dbraw/zinc/18/34/81/411183481.db2.gz CQNLNSIGZZMSEU-JTQLQIEISA-N 1 2 239.319 1.757 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@H]1C ZINC000656133819 411184775 /nfs/dbraw/zinc/18/47/75/411184775.db2.gz VXBRHGGPHKWXLM-QMMMGPOBSA-N 1 2 207.277 1.782 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCC1(C)CCC1 ZINC000656140106 411185450 /nfs/dbraw/zinc/18/54/50/411185450.db2.gz NIOKWGPAFOOUNU-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@@H]1CCOC1 ZINC000656141592 411185690 /nfs/dbraw/zinc/18/56/90/411185690.db2.gz WZKKJQVRYPPMJY-JTQLQIEISA-N 1 2 237.303 1.266 20 0 BDADLO CC(C)n1cc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000291471329 167753670 /nfs/dbraw/zinc/75/36/70/167753670.db2.gz DYIIHEFQJGFSPS-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[C@H](C)CO ZINC000656150430 411187101 /nfs/dbraw/zinc/18/71/01/411187101.db2.gz SBQAQUYXVDOHLW-VIFPVBQESA-N 1 2 223.320 1.914 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@H](F)C1 ZINC000656184816 411195751 /nfs/dbraw/zinc/19/57/51/411195751.db2.gz PZUUMAZRYADGBF-VIFPVBQESA-N 1 2 225.267 1.732 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](OC)C1CC1 ZINC000656192530 411198337 /nfs/dbraw/zinc/19/83/37/411198337.db2.gz ZLCKXGWPZDCOEE-JTQLQIEISA-N 1 2 237.303 1.631 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)CCn1cccn1 ZINC000171968724 167773442 /nfs/dbraw/zinc/77/34/42/167773442.db2.gz JIZGIZZQTSXFIO-UHFFFAOYSA-N 1 2 247.346 1.793 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)CCn1cccn1 ZINC000171968724 167773444 /nfs/dbraw/zinc/77/34/44/167773444.db2.gz JIZGIZZQTSXFIO-UHFFFAOYSA-N 1 2 247.346 1.793 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1nc(C)no1 ZINC000653888714 411210039 /nfs/dbraw/zinc/21/00/39/411210039.db2.gz XPGRGMLUCGFREB-NSHDSACASA-N 1 2 241.335 1.871 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1nc(C)no1 ZINC000653888714 411210042 /nfs/dbraw/zinc/21/00/42/411210042.db2.gz XPGRGMLUCGFREB-NSHDSACASA-N 1 2 241.335 1.871 20 0 BDADLO C[C@H](O)C[N@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000653895551 411213577 /nfs/dbraw/zinc/21/35/77/411213577.db2.gz BBUYOYRKWUOFDE-QMMMGPOBSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000653895551 411213578 /nfs/dbraw/zinc/21/35/78/411213578.db2.gz BBUYOYRKWUOFDE-QMMMGPOBSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000653895550 411213586 /nfs/dbraw/zinc/21/35/86/411213586.db2.gz BBUYOYRKWUOFDE-MRVPVSSYSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000653895550 411213589 /nfs/dbraw/zinc/21/35/89/411213589.db2.gz BBUYOYRKWUOFDE-MRVPVSSYSA-N 1 2 237.303 1.292 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C[C@@H](C)O)C2CC2)on1 ZINC000653902320 411217087 /nfs/dbraw/zinc/21/70/87/411217087.db2.gz QEPPACPQIHIBPN-MRVPVSSYSA-N 1 2 238.287 1.222 20 0 BDADLO CC(=O)c1cc(C[N@H+](C[C@@H](C)O)C2CC2)on1 ZINC000653902320 411217088 /nfs/dbraw/zinc/21/70/88/411217088.db2.gz QEPPACPQIHIBPN-MRVPVSSYSA-N 1 2 238.287 1.222 20 0 BDADLO Cc1nn(Cc2ccc(C)[nH+]c2)c(C)c1CCO ZINC000655672503 411220024 /nfs/dbraw/zinc/22/00/24/411220024.db2.gz JNOHWQXNLZGKIU-UHFFFAOYSA-N 1 2 245.326 1.786 20 0 BDADLO CO[C@H](C(=O)Nc1ccc(N)[nH+]c1)C1CCCC1 ZINC000659294216 411220079 /nfs/dbraw/zinc/22/00/79/411220079.db2.gz IVOIVLWNYPRDJR-LBPRGKRZSA-N 1 2 249.314 1.808 20 0 BDADLO Cn1cc(C[NH+]2CC3(CC3(F)F)C2)cn1 ZINC000656266034 411221425 /nfs/dbraw/zinc/22/14/25/411221425.db2.gz BSDCUXHZLXFFKZ-UHFFFAOYSA-N 1 2 213.231 1.261 20 0 BDADLO CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000049225858 411228934 /nfs/dbraw/zinc/22/89/34/411228934.db2.gz KXCIWSYQOPANLU-NSHDSACASA-N 1 2 249.314 1.676 20 0 BDADLO CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000049225858 411228937 /nfs/dbraw/zinc/22/89/37/411228937.db2.gz KXCIWSYQOPANLU-NSHDSACASA-N 1 2 249.314 1.676 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)C2CC(=O)C2)[nH+]1 ZINC000652404622 411229085 /nfs/dbraw/zinc/22/90/85/411229085.db2.gz MVSINPUBOKKTJZ-UHFFFAOYSA-N 1 2 235.287 1.049 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000611937037 411229798 /nfs/dbraw/zinc/22/97/98/411229798.db2.gz NBNIZJXKRBOPBS-WRWGMCAJSA-N 1 2 247.342 1.781 20 0 BDADLO COCCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652410847 411232984 /nfs/dbraw/zinc/23/29/84/411232984.db2.gz DEXDUQDRUGNFLD-UHFFFAOYSA-N 1 2 239.319 1.578 20 0 BDADLO CC(C)(NC(=O)c1cncc(F)c1)c1[nH]cc[nH+]1 ZINC000652411708 411233591 /nfs/dbraw/zinc/23/35/91/411233591.db2.gz GYLJFSVOLPQUCP-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO Cn1cc[nH+]c1-c1ccc2c(c1)CC[C@H](O)C2 ZINC000656371764 411238486 /nfs/dbraw/zinc/23/84/86/411238486.db2.gz SGMANMAKWNNREQ-ZDUSSCGKSA-N 1 2 228.295 1.937 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CCc3cn[nH]c3C2)CO1 ZINC000660119839 411239691 /nfs/dbraw/zinc/23/96/91/411239691.db2.gz YNKPOZNRLFDMRQ-SNVBAGLBSA-N 1 2 221.304 1.335 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CCc3cn[nH]c3C2)CO1 ZINC000660119839 411239695 /nfs/dbraw/zinc/23/96/95/411239695.db2.gz YNKPOZNRLFDMRQ-SNVBAGLBSA-N 1 2 221.304 1.335 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)nc(C)n1 ZINC000660153368 411266735 /nfs/dbraw/zinc/26/67/35/411266735.db2.gz CEGMMRMYVCVOCP-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCC3)C2)nc(C)n1 ZINC000660153368 411266737 /nfs/dbraw/zinc/26/67/37/411266737.db2.gz CEGMMRMYVCVOCP-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)no1 ZINC000659840157 411327290 /nfs/dbraw/zinc/32/72/90/411327290.db2.gz BRTILQZIOFITAB-UWVGGRQHSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)no1 ZINC000659840157 411327292 /nfs/dbraw/zinc/32/72/92/411327292.db2.gz BRTILQZIOFITAB-UWVGGRQHSA-N 1 2 240.303 1.683 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCn3ccnc32)on1 ZINC000655715900 411269764 /nfs/dbraw/zinc/26/97/64/411269764.db2.gz JMQIMEKVJBCTHT-LLVKDONJSA-N 1 2 232.287 1.804 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(COC)[nH]1)[C@@H]1C[C@H]1C ZINC000658155897 411269944 /nfs/dbraw/zinc/26/99/44/411269944.db2.gz DTNLUIAEHNNYMK-BBBLOLIVSA-N 1 2 238.335 1.475 20 0 BDADLO CCC(C)(C)[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156538 411270447 /nfs/dbraw/zinc/27/04/47/411270447.db2.gz JNLNXWOSBLDDMJ-SECBINFHSA-N 1 2 240.351 1.865 20 0 BDADLO CCN1OC[C@H]([N@H+](CC)Cc2ccncc2)C1=O ZINC000660162022 411272349 /nfs/dbraw/zinc/27/23/49/411272349.db2.gz KJDOIWZQSSYNAK-LBPRGKRZSA-N 1 2 249.314 1.066 20 0 BDADLO CCN1OC[C@H]([N@@H+](CC)Cc2ccncc2)C1=O ZINC000660162022 411272352 /nfs/dbraw/zinc/27/23/52/411272352.db2.gz KJDOIWZQSSYNAK-LBPRGKRZSA-N 1 2 249.314 1.066 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H](F)C1 ZINC000652565507 411273610 /nfs/dbraw/zinc/27/36/10/411273610.db2.gz ZKPGSGGZQBJIHK-SECBINFHSA-N 1 2 248.261 1.910 20 0 BDADLO Cc1ccccc1-n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656451915 411273730 /nfs/dbraw/zinc/27/37/30/411273730.db2.gz ANGVZDPGSHOTSH-LBPRGKRZSA-N 1 2 244.298 1.237 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000656453277 411276150 /nfs/dbraw/zinc/27/61/50/411276150.db2.gz UMMSNWUVSVMBLU-BIIVOSGPSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000656453277 411276152 /nfs/dbraw/zinc/27/61/52/411276152.db2.gz UMMSNWUVSVMBLU-BIIVOSGPSA-N 1 2 227.226 1.019 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCCn3nccc32)nn1 ZINC000658177295 411282865 /nfs/dbraw/zinc/28/28/65/411282865.db2.gz SVJUNMQTAFGMAQ-NSHDSACASA-N 1 2 246.318 1.119 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](OC(C)C)C2)nc(N)[nH+]1 ZINC000631297659 411285552 /nfs/dbraw/zinc/28/55/52/411285552.db2.gz JQVBUHWGPVVVGC-KYZUINATSA-N 1 2 237.307 1.130 20 0 BDADLO Cc1nc(N)nc(N[C@H]2C[C@@H](OC(C)C)C2)[nH+]1 ZINC000631297659 411285554 /nfs/dbraw/zinc/28/55/54/411285554.db2.gz JQVBUHWGPVVVGC-KYZUINATSA-N 1 2 237.307 1.130 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000656534163 411290105 /nfs/dbraw/zinc/29/01/05/411290105.db2.gz FDHHHPACXUTRMH-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000656534163 411290109 /nfs/dbraw/zinc/29/01/09/411290109.db2.gz FDHHHPACXUTRMH-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO O=C1CC[C@@H](Nc2cccc[nH+]2)CCN1 ZINC000396666632 411293176 /nfs/dbraw/zinc/29/31/76/411293176.db2.gz NOSMUEHFGCCXFJ-SECBINFHSA-N 1 2 205.261 1.162 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)cn1 ZINC000062053386 411305509 /nfs/dbraw/zinc/30/55/09/411305509.db2.gz JVBWLPMTVUVKJX-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)cn1 ZINC000062053386 411305514 /nfs/dbraw/zinc/30/55/14/411305514.db2.gz JVBWLPMTVUVKJX-SNVBAGLBSA-N 1 2 218.300 1.801 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000336711185 411332470 /nfs/dbraw/zinc/33/24/70/411332470.db2.gz PMWOIWQGHVETBG-DTWKUNHWSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000336711185 411332472 /nfs/dbraw/zinc/33/24/72/411332472.db2.gz PMWOIWQGHVETBG-DTWKUNHWSA-N 1 2 239.319 1.975 20 0 BDADLO CCC[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660133983 411251989 /nfs/dbraw/zinc/25/19/89/411251989.db2.gz MNHYWQDTLOLPOT-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO c1c(C[NH2+]Cc2cccnc2)nn2c1CCCC2 ZINC000655704156 411255409 /nfs/dbraw/zinc/25/54/09/411255409.db2.gz RGEKTUBQOLBMMY-UHFFFAOYSA-N 1 2 242.326 1.904 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655774573 411257752 /nfs/dbraw/zinc/25/77/52/411257752.db2.gz XKUOOLXNAMYPMX-VIFPVBQESA-N 1 2 211.284 1.667 20 0 BDADLO O[C@H]1C[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000658348801 411349804 /nfs/dbraw/zinc/34/98/04/411349804.db2.gz RIYMIOBHRTWLAY-IJLUTSLNSA-N 1 2 244.298 1.007 20 0 BDADLO Cn1nc(C[NH+]2CC(C)(CO)C2)c2ccccc21 ZINC000656775817 411356816 /nfs/dbraw/zinc/35/68/16/411356816.db2.gz WDKVOXWJFZGHBM-UHFFFAOYSA-N 1 2 245.326 1.388 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC3(COC3)C2)no1 ZINC000662072690 411357157 /nfs/dbraw/zinc/35/71/57/411357157.db2.gz NIYLQDCYWIISBX-QMMMGPOBSA-N 1 2 223.276 1.161 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC3(COC3)C2)no1 ZINC000662072690 411357160 /nfs/dbraw/zinc/35/71/60/411357160.db2.gz NIYLQDCYWIISBX-QMMMGPOBSA-N 1 2 223.276 1.161 20 0 BDADLO CC1(CNc2cc(N3CCCC3)nc[nH+]2)COC1 ZINC000277583974 168046877 /nfs/dbraw/zinc/04/68/77/168046877.db2.gz SSJHVZGLGHBGBP-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CC1(CNc2cc(N3CCCC3)[nH+]cn2)COC1 ZINC000277583974 168046880 /nfs/dbraw/zinc/04/68/80/168046880.db2.gz SSJHVZGLGHBGBP-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO c1c(CNc2cccc[nH+]2)nn2c1CCC2 ZINC000656768514 411363106 /nfs/dbraw/zinc/36/31/06/411363106.db2.gz XTKJNEGKTFXVQI-UHFFFAOYSA-N 1 2 214.272 1.836 20 0 BDADLO Cc1nnc(C[N@@H+]2CCOCC3(CCC3)C2)o1 ZINC000371850997 411334125 /nfs/dbraw/zinc/33/41/25/411334125.db2.gz AQMMLZAIAKZXFD-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO Cc1nnc(C[N@H+]2CCOCC3(CCC3)C2)o1 ZINC000371850997 411334127 /nfs/dbraw/zinc/33/41/27/411334127.db2.gz AQMMLZAIAKZXFD-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000659844526 411338776 /nfs/dbraw/zinc/33/87/76/411338776.db2.gz JBUCVLLYAVSWHE-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000659844526 411338780 /nfs/dbraw/zinc/33/87/80/411338780.db2.gz JBUCVLLYAVSWHE-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000659852145 411343260 /nfs/dbraw/zinc/34/32/60/411343260.db2.gz KKANFOMHUFQKLS-GFCCVEGCSA-N 1 2 249.314 1.262 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000659852145 411343263 /nfs/dbraw/zinc/34/32/63/411343263.db2.gz KKANFOMHUFQKLS-GFCCVEGCSA-N 1 2 249.314 1.262 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cn(C)cn1 ZINC000661982480 411343930 /nfs/dbraw/zinc/34/39/30/411343930.db2.gz YLWGZDUVFNPBDI-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cn(C)cn1 ZINC000661982480 411343933 /nfs/dbraw/zinc/34/39/33/411343933.db2.gz YLWGZDUVFNPBDI-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccn(C)n1 ZINC000658336162 411344796 /nfs/dbraw/zinc/34/47/96/411344796.db2.gz OOHKECPSAWORMJ-GHMZBOCLSA-N 1 2 247.346 1.956 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccn(C)n1 ZINC000658338797 411345881 /nfs/dbraw/zinc/34/58/81/411345881.db2.gz LRSJWFRUKNCDGN-UWVGGRQHSA-N 1 2 233.319 1.565 20 0 BDADLO C[C@H](N[C@@H](C)c1[nH+]ccn1C)c1ccn(C)n1 ZINC000658338797 411345883 /nfs/dbraw/zinc/34/58/83/411345883.db2.gz LRSJWFRUKNCDGN-UWVGGRQHSA-N 1 2 233.319 1.565 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2(CO)CCC2)c[nH+]1 ZINC000652934420 411349101 /nfs/dbraw/zinc/34/91/01/411349101.db2.gz CMRRNFUCDUYWDL-UHFFFAOYSA-N 1 2 237.303 1.001 20 0 BDADLO CC1=CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000333075826 168095181 /nfs/dbraw/zinc/09/51/81/168095181.db2.gz BEDSTWQPDYHPJM-UHFFFAOYSA-N 1 2 248.330 1.324 20 0 BDADLO CO[C@H](C[N@H+](CC(F)F)C1CC1)[C@@H]1CCOC1 ZINC000659909936 411380060 /nfs/dbraw/zinc/38/00/60/411380060.db2.gz YZPRUNOOEUAMPC-MWLCHTKSSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@H](C[N@@H+](CC(F)F)C1CC1)[C@@H]1CCOC1 ZINC000659909936 411380063 /nfs/dbraw/zinc/38/00/63/411380063.db2.gz YZPRUNOOEUAMPC-MWLCHTKSSA-N 1 2 249.301 1.767 20 0 BDADLO CC1=CC[N@@H+](CC(=O)OC(C)(C)C)CC1 ZINC000270317210 168111159 /nfs/dbraw/zinc/11/11/59/168111159.db2.gz JTYMNFSWQYQICC-UHFFFAOYSA-N 1 2 211.305 1.980 20 0 BDADLO CC1=CC[N@H+](CC(=O)OC(C)(C)C)CC1 ZINC000270317210 168111157 /nfs/dbraw/zinc/11/11/57/168111157.db2.gz JTYMNFSWQYQICC-UHFFFAOYSA-N 1 2 211.305 1.980 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC=C(C)CC2)[nH]1 ZINC000336279093 168117998 /nfs/dbraw/zinc/11/79/98/168117998.db2.gz CHNSHFVMOSVGAC-VIFPVBQESA-N 1 2 206.293 1.826 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC=C(C)CC2)[nH]1 ZINC000336279093 168118002 /nfs/dbraw/zinc/11/80/02/168118002.db2.gz CHNSHFVMOSVGAC-VIFPVBQESA-N 1 2 206.293 1.826 20 0 BDADLO CO[C@H](C[N@H+](CC(F)F)C1CC1)[C@H]1CCOC1 ZINC000659909934 411380626 /nfs/dbraw/zinc/38/06/26/411380626.db2.gz YZPRUNOOEUAMPC-GXSJLCMTSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@H](C[N@@H+](CC(F)F)C1CC1)[C@H]1CCOC1 ZINC000659909934 411380629 /nfs/dbraw/zinc/38/06/29/411380629.db2.gz YZPRUNOOEUAMPC-GXSJLCMTSA-N 1 2 249.301 1.767 20 0 BDADLO CC1CC(NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336425412 168141398 /nfs/dbraw/zinc/14/13/98/168141398.db2.gz NTTRHRFDHPASRZ-UHFFFAOYSA-N 1 2 234.303 1.207 20 0 BDADLO COCC1(O)C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000656816087 411375024 /nfs/dbraw/zinc/37/50/24/411375024.db2.gz FYPCZSMHJNGGMB-UHFFFAOYSA-N 1 2 246.310 1.361 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000364655909 168203869 /nfs/dbraw/zinc/20/38/69/168203869.db2.gz NACHPWMYUXRROL-SNVBAGLBSA-N 1 2 223.276 1.576 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000364655909 168203870 /nfs/dbraw/zinc/20/38/70/168203870.db2.gz NACHPWMYUXRROL-SNVBAGLBSA-N 1 2 223.276 1.576 20 0 BDADLO CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828201 168215528 /nfs/dbraw/zinc/21/55/28/168215528.db2.gz OWEZPGPZKCYDKT-UHFFFAOYSA-N 1 2 207.277 1.526 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053194655 168221501 /nfs/dbraw/zinc/22/15/01/168221501.db2.gz RGBRADSBILCUBT-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000336529698 168231686 /nfs/dbraw/zinc/23/16/86/168231686.db2.gz FAIMIFKHLYCIAR-SNVBAGLBSA-N 1 2 221.304 1.595 20 0 BDADLO CCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000022698931 168248116 /nfs/dbraw/zinc/24/81/16/168248116.db2.gz NYORLFQBXIAOEZ-UHFFFAOYSA-N 1 2 225.317 1.480 20 0 BDADLO CCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000022698931 168248118 /nfs/dbraw/zinc/24/81/18/168248118.db2.gz NYORLFQBXIAOEZ-UHFFFAOYSA-N 1 2 225.317 1.480 20 0 BDADLO CCC(C)(C)CC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354984267 168275897 /nfs/dbraw/zinc/27/58/97/168275897.db2.gz VXHOXJJYHSUVJQ-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO CCC(C)(C)CC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000354984267 168275900 /nfs/dbraw/zinc/27/59/00/168275900.db2.gz VXHOXJJYHSUVJQ-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO CCC(C)(C)CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000354984267 168275904 /nfs/dbraw/zinc/27/59/04/168275904.db2.gz VXHOXJJYHSUVJQ-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO CCC(C)(C)CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000354984267 168275907 /nfs/dbraw/zinc/27/59/07/168275907.db2.gz VXHOXJJYHSUVJQ-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)oc1C ZINC000657304531 411456693 /nfs/dbraw/zinc/45/66/93/411456693.db2.gz MCJARTBXFNZAGZ-NEPJUHHUSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)oc1C ZINC000657304531 411456695 /nfs/dbraw/zinc/45/66/95/411456695.db2.gz MCJARTBXFNZAGZ-NEPJUHHUSA-N 1 2 236.315 1.902 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@@H+]1C ZINC000125702307 411396377 /nfs/dbraw/zinc/39/63/77/411396377.db2.gz SRUNNMLXGIPWBM-VHSXEESVSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@H+]1C ZINC000125702307 411396380 /nfs/dbraw/zinc/39/63/80/411396380.db2.gz SRUNNMLXGIPWBM-VHSXEESVSA-N 1 2 249.314 1.674 20 0 BDADLO Cc1ccc(F)c(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398290502 411401354 /nfs/dbraw/zinc/40/13/54/411401354.db2.gz GCKJESTVDSRGGV-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)nn1 ZINC000414371604 411410680 /nfs/dbraw/zinc/41/06/80/411410680.db2.gz NFGCYFCMHXZFNS-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)nn1 ZINC000414371604 411410687 /nfs/dbraw/zinc/41/06/87/411410687.db2.gz NFGCYFCMHXZFNS-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO CCN(CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC000264765946 411415265 /nfs/dbraw/zinc/41/52/65/411415265.db2.gz JWMZTRIYPGUEFR-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405079092 411415590 /nfs/dbraw/zinc/41/55/90/411415590.db2.gz OIPLFCUXTLYELP-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405079092 411415591 /nfs/dbraw/zinc/41/55/91/411415591.db2.gz OIPLFCUXTLYELP-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657209053 411418825 /nfs/dbraw/zinc/41/88/25/411418825.db2.gz PRGLKRIAPGJIDF-NEPJUHHUSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657209053 411418826 /nfs/dbraw/zinc/41/88/26/411418826.db2.gz PRGLKRIAPGJIDF-NEPJUHHUSA-N 1 2 235.331 1.514 20 0 BDADLO CC[C@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653567947 411423040 /nfs/dbraw/zinc/42/30/40/411423040.db2.gz FQDHRGAJNNILGD-JTQLQIEISA-N 1 2 237.351 1.660 20 0 BDADLO CC[C@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653567947 411423042 /nfs/dbraw/zinc/42/30/42/411423042.db2.gz FQDHRGAJNNILGD-JTQLQIEISA-N 1 2 237.351 1.660 20 0 BDADLO CC[C@@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653567948 411423392 /nfs/dbraw/zinc/42/33/92/411423392.db2.gz FQDHRGAJNNILGD-SNVBAGLBSA-N 1 2 237.351 1.660 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653567948 411423394 /nfs/dbraw/zinc/42/33/94/411423394.db2.gz FQDHRGAJNNILGD-SNVBAGLBSA-N 1 2 237.351 1.660 20 0 BDADLO CC[N@H+](C[C@@H](C)OC)[C@H](C)c1noc(C)n1 ZINC000361566195 169884072 /nfs/dbraw/zinc/88/40/72/169884072.db2.gz SHKWXWXGQXDSSQ-RKDXNWHRSA-N 1 2 227.308 1.796 20 0 BDADLO CC[N@@H+](C[C@@H](C)OC)[C@H](C)c1noc(C)n1 ZINC000361566195 169884073 /nfs/dbraw/zinc/88/40/73/169884073.db2.gz SHKWXWXGQXDSSQ-RKDXNWHRSA-N 1 2 227.308 1.796 20 0 BDADLO CC(C)(C)c1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000659816979 411462767 /nfs/dbraw/zinc/46/27/67/411462767.db2.gz WJFNNZFVUZCAAJ-UHFFFAOYSA-N 1 2 246.354 1.916 20 0 BDADLO CC(C)(C)c1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000659816979 411462768 /nfs/dbraw/zinc/46/27/68/411462768.db2.gz WJFNNZFVUZCAAJ-UHFFFAOYSA-N 1 2 246.354 1.916 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccc(C)n2)n1 ZINC000657318173 411463010 /nfs/dbraw/zinc/46/30/10/411463010.db2.gz MCPHCUQGWWFKKY-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000126424328 411437802 /nfs/dbraw/zinc/43/78/02/411437802.db2.gz LXSQMDOMTWSLLG-RYUDHWBXSA-N 1 2 218.300 1.810 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609326 411439240 /nfs/dbraw/zinc/43/92/40/411439240.db2.gz HXLLCXOICBSWAN-OPRDCNLKSA-N 1 2 238.310 1.800 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609326 411439243 /nfs/dbraw/zinc/43/92/43/411439243.db2.gz HXLLCXOICBSWAN-OPRDCNLKSA-N 1 2 238.310 1.800 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]C2(C3CC3)CC2)n1 ZINC000653614164 411441239 /nfs/dbraw/zinc/44/12/39/411441239.db2.gz QVPYTVAULKLDIS-UHFFFAOYSA-N 1 2 235.335 1.460 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc3n(n2)CCCC3)[nH]n1 ZINC000655745371 411447443 /nfs/dbraw/zinc/44/74/43/411447443.db2.gz ODHZLAWLPGQUHF-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn3c2CCC3)no1 ZINC000657330445 411467321 /nfs/dbraw/zinc/46/73/21/411467321.db2.gz VXIZENBMAGLFHA-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CCC1 ZINC000654960377 411468125 /nfs/dbraw/zinc/46/81/25/411468125.db2.gz IIAQAQIMRBIFNC-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CCC1 ZINC000654960377 411468128 /nfs/dbraw/zinc/46/81/28/411468128.db2.gz IIAQAQIMRBIFNC-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)OCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654998544 411473433 /nfs/dbraw/zinc/47/34/33/411473433.db2.gz VXVBKGFYICZHRR-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO CC(C)OCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654998544 411473437 /nfs/dbraw/zinc/47/34/37/411473437.db2.gz VXVBKGFYICZHRR-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO Cc1nc(C[NH+]2CCSCC2)c(C)o1 ZINC000659843365 411473970 /nfs/dbraw/zinc/47/39/70/411473970.db2.gz SDNQDLPSCCHSKH-UHFFFAOYSA-N 1 2 212.318 1.840 20 0 BDADLO C[N@H+](CC(=O)Nc1cnccn1)Cc1ccoc1 ZINC000659850837 411477508 /nfs/dbraw/zinc/47/75/08/411477508.db2.gz CEZPICSTDRNTBG-UHFFFAOYSA-N 1 2 246.270 1.140 20 0 BDADLO C[N@@H+](CC(=O)Nc1cnccn1)Cc1ccoc1 ZINC000659850837 411477509 /nfs/dbraw/zinc/47/75/09/411477509.db2.gz CEZPICSTDRNTBG-UHFFFAOYSA-N 1 2 246.270 1.140 20 0 BDADLO CCc1nc([C@H](C)N2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000659856746 411479495 /nfs/dbraw/zinc/47/94/95/411479495.db2.gz GWPCAQNZUVHHJA-JTQLQIEISA-N 1 2 249.362 1.208 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCOCc1ccccc1 ZINC000659875187 411486779 /nfs/dbraw/zinc/48/67/79/411486779.db2.gz WDGPDLIOADROKV-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCOCc1ccccc1 ZINC000659875187 411486782 /nfs/dbraw/zinc/48/67/82/411486782.db2.gz WDGPDLIOADROKV-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000655080319 411490635 /nfs/dbraw/zinc/49/06/35/411490635.db2.gz DBPNWVNTHCIQKD-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1c[nH+]c2c1CCN([C@@H]1COC(C)(C)C1)C2 ZINC000659904310 411492178 /nfs/dbraw/zinc/49/21/78/411492178.db2.gz XNBZCUNYYDKUPR-JTQLQIEISA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000660423723 411498259 /nfs/dbraw/zinc/49/82/59/411498259.db2.gz UZNIYTLHNQPDRM-IJLUTSLNSA-N 1 2 248.330 1.323 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1C1CC1 ZINC000655123402 411499325 /nfs/dbraw/zinc/49/93/25/411499325.db2.gz FFALIESXNCYMCL-SKDRFNHKSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1C1CC1 ZINC000655123402 411499326 /nfs/dbraw/zinc/49/93/26/411499326.db2.gz FFALIESXNCYMCL-SKDRFNHKSA-N 1 2 233.315 1.599 20 0 BDADLO COc1ccc(NCc2[nH]cc(C)[nH+]2)c(OC)n1 ZINC000657413256 411499993 /nfs/dbraw/zinc/49/99/93/411499993.db2.gz NXAJMIUPZJOHDW-UHFFFAOYSA-N 1 2 248.286 1.742 20 0 BDADLO CCC[C@H](O)CC(=O)NCc1[nH+]ccn1CC ZINC000655128088 411500493 /nfs/dbraw/zinc/50/04/93/411500493.db2.gz QOYQMOVNLCRRNM-JTQLQIEISA-N 1 2 239.319 1.070 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000657418497 411502070 /nfs/dbraw/zinc/50/20/70/411502070.db2.gz HPHMBXHXFXPMBC-MRVPVSSYSA-N 1 2 205.265 1.292 20 0 BDADLO Cc1nnc(CC[NH2+]Cc2nccn2C(C)C)[nH]1 ZINC000657424403 411504680 /nfs/dbraw/zinc/50/46/80/411504680.db2.gz WVJNBIGYLQDLHE-UHFFFAOYSA-N 1 2 248.334 1.223 20 0 BDADLO C[N@H+](Cc1ccon1)[C@H]1COC(C)(C)C1 ZINC000659946571 411506676 /nfs/dbraw/zinc/50/66/76/411506676.db2.gz GXHVAPWIWKCLCO-SNVBAGLBSA-N 1 2 210.277 1.674 20 0 BDADLO C[N@@H+](Cc1ccon1)[C@H]1COC(C)(C)C1 ZINC000659946571 411506680 /nfs/dbraw/zinc/50/66/80/411506680.db2.gz GXHVAPWIWKCLCO-SNVBAGLBSA-N 1 2 210.277 1.674 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000660442285 411510702 /nfs/dbraw/zinc/51/07/02/411510702.db2.gz RPFXSRPUYSFOAT-NSHDSACASA-N 1 2 238.335 1.094 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000660442285 411510707 /nfs/dbraw/zinc/51/07/07/411510707.db2.gz RPFXSRPUYSFOAT-NSHDSACASA-N 1 2 238.335 1.094 20 0 BDADLO c1nc(CC[NH2+]Cc2nc3ccccc3o2)n[nH]1 ZINC000638873262 411511978 /nfs/dbraw/zinc/51/19/78/411511978.db2.gz FFOADDRUVKHUTE-UHFFFAOYSA-N 1 2 243.270 1.278 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336753123 411515066 /nfs/dbraw/zinc/51/50/66/411515066.db2.gz DSGHIMZRVUWZNS-HTQZYQBOSA-N 1 2 242.348 1.274 20 0 BDADLO CCC(CC)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655799791 411517341 /nfs/dbraw/zinc/51/73/41/411517341.db2.gz PSGILNXHSCKSJO-JTQLQIEISA-N 1 2 238.335 1.934 20 0 BDADLO CCc1nnc(CNCc2[nH]cc(C)[nH+]2)s1 ZINC000657469967 411522164 /nfs/dbraw/zinc/52/21/64/411522164.db2.gz LBUCRTNUVUUMJN-UHFFFAOYSA-N 1 2 237.332 1.422 20 0 BDADLO CO[C@](C)(CO)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000655809321 411522892 /nfs/dbraw/zinc/52/28/92/411522892.db2.gz XEOMWFAZXLTDOR-ZDUSSCGKSA-N 1 2 249.314 1.050 20 0 BDADLO COc1ccncc1C[NH2+]Cc1nc(C)c[nH]1 ZINC000657473586 411523132 /nfs/dbraw/zinc/52/31/32/411523132.db2.gz OANSZINDVCXUJQ-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H]2CCO)co1 ZINC000660002376 411526800 /nfs/dbraw/zinc/52/68/00/411526800.db2.gz HJYLOJIGCDYDTH-LLVKDONJSA-N 1 2 242.344 1.283 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H]2CCO)co1 ZINC000660002376 411526803 /nfs/dbraw/zinc/52/68/03/411526803.db2.gz HJYLOJIGCDYDTH-LLVKDONJSA-N 1 2 242.344 1.283 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2nc(C)c[nH]2)cn1 ZINC000657484631 411529267 /nfs/dbraw/zinc/52/92/67/411529267.db2.gz GLWYGBDUOWJXLI-JTQLQIEISA-N 1 2 233.319 1.785 20 0 BDADLO CCNC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339771305 170059749 /nfs/dbraw/zinc/05/97/49/170059749.db2.gz BOTWQQOTOGBCKR-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCNC(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339771305 170059751 /nfs/dbraw/zinc/05/97/51/170059751.db2.gz BOTWQQOTOGBCKR-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCNC(=O)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000334139883 170061077 /nfs/dbraw/zinc/06/10/77/170061077.db2.gz BSVPMQLSEBPRRA-UHFFFAOYSA-N 1 2 218.300 1.447 20 0 BDADLO CCNC(=O)C[N@H+]1Cc2ccc(C)cc2C1 ZINC000334139883 170061078 /nfs/dbraw/zinc/06/10/78/170061078.db2.gz BSVPMQLSEBPRRA-UHFFFAOYSA-N 1 2 218.300 1.447 20 0 BDADLO CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000119048230 170074003 /nfs/dbraw/zinc/07/40/03/170074003.db2.gz KPEKECOEMIPFKM-WDEREUQCSA-N 1 2 236.319 1.496 20 0 BDADLO Cc1ccc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000660140998 411544269 /nfs/dbraw/zinc/54/42/69/411544269.db2.gz CUOUDTZARRZYNM-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CCNC(=O)[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC000292984585 170092246 /nfs/dbraw/zinc/09/22/46/170092246.db2.gz IDOZZASGVMMSQQ-NSHDSACASA-N 1 2 236.319 1.358 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1csc(CC)n1 ZINC000049591183 170095453 /nfs/dbraw/zinc/09/54/53/170095453.db2.gz QBSXOTYBGVBQFB-QMMMGPOBSA-N 1 2 241.360 1.320 20 0 BDADLO CCNC(=O)[C@H]([NH2+]Cc1cc(C)on1)C(C)C ZINC000339318854 170098708 /nfs/dbraw/zinc/09/87/08/170098708.db2.gz ROHSSFHNDMFGSZ-LLVKDONJSA-N 1 2 239.319 1.233 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCCOC2)n1 ZINC000062243580 170131543 /nfs/dbraw/zinc/13/15/43/170131543.db2.gz PKQBIZDMJBPARL-QMMMGPOBSA-N 1 2 211.265 1.073 20 0 BDADLO Cc1cccc(CN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC000674246261 487536069 /nfs/dbraw/zinc/53/60/69/487536069.db2.gz AEYDRQQBIWFCLN-UHFFFAOYSA-N 1 2 244.298 1.245 20 0 BDADLO CC[NH2+][C@H](c1ncc[nH]1)c1ccccn1 ZINC000278269031 170148318 /nfs/dbraw/zinc/14/83/18/170148318.db2.gz OWFUDNZWTIXTMV-JTQLQIEISA-N 1 2 202.261 1.504 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000660234650 411556167 /nfs/dbraw/zinc/55/61/67/411556167.db2.gz KOMZPGHMLMVLMU-SNVBAGLBSA-N 1 2 245.273 1.624 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000660234650 411556169 /nfs/dbraw/zinc/55/61/69/411556169.db2.gz KOMZPGHMLMVLMU-SNVBAGLBSA-N 1 2 245.273 1.624 20 0 BDADLO CN(Cc1cn(CC2CC2)nn1)Cc1[nH]cc[nH+]1 ZINC000660142407 411544736 /nfs/dbraw/zinc/54/47/36/411544736.db2.gz WZTNOHHAHJGSDL-UHFFFAOYSA-N 1 2 246.318 1.043 20 0 BDADLO CC(C)[C@@H](C)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660145106 411545598 /nfs/dbraw/zinc/54/55/98/411545598.db2.gz LOHIRNUWJOXZNW-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccncc1 ZINC000121461199 170185953 /nfs/dbraw/zinc/18/59/53/170185953.db2.gz BJQJLALAXVHONF-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccncc1 ZINC000121461199 170185954 /nfs/dbraw/zinc/18/59/54/170185954.db2.gz BJQJLALAXVHONF-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000377493052 170205495 /nfs/dbraw/zinc/20/54/95/170205495.db2.gz FWYCLRAXEFRECA-SECBINFHSA-N 1 2 239.275 1.160 20 0 BDADLO CCOC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000377493052 170205497 /nfs/dbraw/zinc/20/54/97/170205497.db2.gz FWYCLRAXEFRECA-SECBINFHSA-N 1 2 239.275 1.160 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000020361600 170214347 /nfs/dbraw/zinc/21/43/47/170214347.db2.gz IPABBSAEDCZTGP-UHFFFAOYSA-N 1 2 225.263 1.821 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000020361600 170214349 /nfs/dbraw/zinc/21/43/49/170214349.db2.gz IPABBSAEDCZTGP-UHFFFAOYSA-N 1 2 225.263 1.821 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000119596980 170215558 /nfs/dbraw/zinc/21/55/58/170215558.db2.gz QPFSVSTWEGNTPW-SNVBAGLBSA-N 1 2 237.299 1.948 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000119596980 170215560 /nfs/dbraw/zinc/21/55/60/170215560.db2.gz QPFSVSTWEGNTPW-SNVBAGLBSA-N 1 2 237.299 1.948 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000109834458 170215922 /nfs/dbraw/zinc/21/59/22/170215922.db2.gz NZBVXAMAGKEPQV-JTQLQIEISA-N 1 2 222.288 1.638 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000109834458 170215923 /nfs/dbraw/zinc/21/59/23/170215923.db2.gz NZBVXAMAGKEPQV-JTQLQIEISA-N 1 2 222.288 1.638 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cccc(N)c1 ZINC000035364259 170216682 /nfs/dbraw/zinc/21/66/82/170216682.db2.gz XCBGBCZKVIPINW-UHFFFAOYSA-N 1 2 236.315 1.654 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cccc(N)c1 ZINC000035364259 170216683 /nfs/dbraw/zinc/21/66/83/170216683.db2.gz XCBGBCZKVIPINW-UHFFFAOYSA-N 1 2 236.315 1.654 20 0 BDADLO CCOC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000309522860 170225210 /nfs/dbraw/zinc/22/52/10/170225210.db2.gz AVAXXZGIMUQHRF-UHFFFAOYSA-N 1 2 229.320 1.224 20 0 BDADLO CCOC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000341869198 170227178 /nfs/dbraw/zinc/22/71/78/170227178.db2.gz JJHBIDAINZOZHN-CYBMUJFWSA-N 1 2 243.347 1.470 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043638722 170247466 /nfs/dbraw/zinc/24/74/66/170247466.db2.gz FPMHFIXRVCCQQG-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043638722 170247468 /nfs/dbraw/zinc/24/74/68/170247468.db2.gz FPMHFIXRVCCQQG-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000043638519 170247771 /nfs/dbraw/zinc/24/77/71/170247771.db2.gz ZKPUJYYBFAHNKU-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000043638519 170247772 /nfs/dbraw/zinc/24/77/72/170247772.db2.gz ZKPUJYYBFAHNKU-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000172274424 170256688 /nfs/dbraw/zinc/25/66/88/170256688.db2.gz GIRSHDOAOQSHGR-CHWSQXEVSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](O)C1 ZINC000172274424 170256689 /nfs/dbraw/zinc/25/66/89/170256689.db2.gz GIRSHDOAOQSHGR-CHWSQXEVSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000301594129 170264509 /nfs/dbraw/zinc/26/45/09/170264509.db2.gz YLHDFXGRCHCBLR-SECBINFHSA-N 1 2 249.314 1.965 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000043638633 170265928 /nfs/dbraw/zinc/26/59/28/170265928.db2.gz PMTXPHPHYNHPIA-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043638633 170265929 /nfs/dbraw/zinc/26/59/29/170265929.db2.gz PMTXPHPHYNHPIA-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000340846400 170268251 /nfs/dbraw/zinc/26/82/51/170268251.db2.gz DSSSNOVBGZTMCG-KWBADKCTSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000300357605 170268296 /nfs/dbraw/zinc/26/82/96/170268296.db2.gz HRNIOWGJMNIJGW-GUBZILKMSA-N 1 2 229.320 1.341 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300369479 170268314 /nfs/dbraw/zinc/26/83/14/170268314.db2.gz RIULOIPGUNNMSY-GDPRMGEGSA-N 1 2 227.304 1.095 20 0 BDADLO CCOC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000063436873 170269302 /nfs/dbraw/zinc/26/93/02/170269302.db2.gz SKKSFUGHBVYMTD-ZETCQYMHSA-N 1 2 241.316 1.411 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC000338284596 170270854 /nfs/dbraw/zinc/27/08/54/170270854.db2.gz CLFDAWRQUUAJRN-UTLUCORTSA-N 1 2 245.319 1.115 20 0 BDADLO COCc1nnc(C[NH2+]C2CCCCCC2)[nH]1 ZINC000657608426 411562070 /nfs/dbraw/zinc/56/20/70/411562070.db2.gz YNTIWLPKHOTNGH-UHFFFAOYSA-N 1 2 238.335 1.764 20 0 BDADLO C[C@@H](NC(=O)NCC1CC1)c1[nH+]ccn1C ZINC000660268077 411562491 /nfs/dbraw/zinc/56/24/91/411562491.db2.gz CVQBFZFPPUZRNW-MRVPVSSYSA-N 1 2 222.292 1.190 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000050064163 170281301 /nfs/dbraw/zinc/28/13/01/170281301.db2.gz HLNZEQDQBFLSQS-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000050064163 170281303 /nfs/dbraw/zinc/28/13/03/170281303.db2.gz HLNZEQDQBFLSQS-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO COCc1nnc(C[NH2+]C[C@H]2CC=CCC2)[nH]1 ZINC000657605229 411564094 /nfs/dbraw/zinc/56/40/94/411564094.db2.gz LBHANZJIQOPDRQ-JTQLQIEISA-N 1 2 236.319 1.397 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660276641 411564322 /nfs/dbraw/zinc/56/43/22/411564322.db2.gz FKJBZADJEOFYGH-SNVBAGLBSA-N 1 2 222.336 1.715 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660276641 411564323 /nfs/dbraw/zinc/56/43/23/411564323.db2.gz FKJBZADJEOFYGH-SNVBAGLBSA-N 1 2 222.336 1.715 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CC1(C)C)c1[nH+]ccn1C ZINC000660372883 411574092 /nfs/dbraw/zinc/57/40/92/411574092.db2.gz IIGODWMVCSOSQG-DTWKUNHWSA-N 1 2 236.319 1.579 20 0 BDADLO CCOC1CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000295018678 170335806 /nfs/dbraw/zinc/33/58/06/170335806.db2.gz WDHURVXQJTUCFD-UHFFFAOYSA-N 1 2 245.282 1.195 20 0 BDADLO CCOC1C[NH+](Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000297553877 170337231 /nfs/dbraw/zinc/33/72/31/170337231.db2.gz ZVJDEJIWHBCIRL-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)on1 ZINC000660373859 411574628 /nfs/dbraw/zinc/57/46/28/411574628.db2.gz CIAJLRMFSDNGHA-LPEHRKFASA-N 1 2 240.303 1.681 20 0 BDADLO CCOC1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000294271800 170337362 /nfs/dbraw/zinc/33/73/62/170337362.db2.gz XHJFJWQRAVSPNH-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)on1 ZINC000660373859 411574629 /nfs/dbraw/zinc/57/46/29/411574629.db2.gz CIAJLRMFSDNGHA-LPEHRKFASA-N 1 2 240.303 1.681 20 0 BDADLO CCOCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120329219 170340535 /nfs/dbraw/zinc/34/05/35/170340535.db2.gz MNNCLBXMMYGAEA-SNVBAGLBSA-N 1 2 237.303 1.500 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC1(C)C ZINC000660375371 411574896 /nfs/dbraw/zinc/57/48/96/411574896.db2.gz AVNUOFKYFOTCAC-SECBINFHSA-N 1 2 222.292 1.350 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC1(C)C ZINC000660375371 411574897 /nfs/dbraw/zinc/57/48/97/411574897.db2.gz AVNUOFKYFOTCAC-SECBINFHSA-N 1 2 222.292 1.350 20 0 BDADLO CCOCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263735549 170349147 /nfs/dbraw/zinc/34/91/47/170349147.db2.gz ANAVQQXIMKZRDX-UHFFFAOYSA-N 1 2 233.271 1.618 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1noc(C2CC2)n1 ZINC000339370374 170356324 /nfs/dbraw/zinc/35/63/24/170356324.db2.gz VTGITJLVQCRRBG-UHFFFAOYSA-N 1 2 239.319 1.852 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(C)o1 ZINC000660324348 411569638 /nfs/dbraw/zinc/56/96/38/411569638.db2.gz JVCWOMJQGOWMOL-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](n3cncn3)C2)c(C)o1 ZINC000660324348 411569639 /nfs/dbraw/zinc/56/96/39/411569639.db2.gz JVCWOMJQGOWMOL-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO CCOCCCNc1nc[nH+]c(N)c1Cl ZINC000233758189 170383900 /nfs/dbraw/zinc/38/39/00/170383900.db2.gz GYCLVATVVVOEQF-UHFFFAOYSA-N 1 2 230.699 1.551 20 0 BDADLO CCOCCCNc1[nH+]cnc(N)c1Cl ZINC000233758189 170383901 /nfs/dbraw/zinc/38/39/01/170383901.db2.gz GYCLVATVVVOEQF-UHFFFAOYSA-N 1 2 230.699 1.551 20 0 BDADLO CCOCC[N@H+](CC)CC(=O)c1cccn1C ZINC000107062164 170394539 /nfs/dbraw/zinc/39/45/39/170394539.db2.gz IOVJDEQBUSVTCT-UHFFFAOYSA-N 1 2 238.331 1.566 20 0 BDADLO CCOCC[N@@H+](CC)CC(=O)c1cccn1C ZINC000107062164 170394541 /nfs/dbraw/zinc/39/45/41/170394541.db2.gz IOVJDEQBUSVTCT-UHFFFAOYSA-N 1 2 238.331 1.566 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)co1 ZINC000660778831 411627826 /nfs/dbraw/zinc/62/78/26/411627826.db2.gz HTFYCRPJHVDBNA-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)co1 ZINC000660778831 411627828 /nfs/dbraw/zinc/62/78/28/411627828.db2.gz HTFYCRPJHVDBNA-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO CCc1nnc([C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)[nH]1 ZINC000660443793 411585816 /nfs/dbraw/zinc/58/58/16/411585816.db2.gz AERFXLQZLSZJEY-CIUDSAMLSA-N 1 2 208.309 1.911 20 0 BDADLO CC1(C)[C@@H](C[NH2+]Cc2ccn[nH]2)C1(F)F ZINC000657738936 411588790 /nfs/dbraw/zinc/58/87/90/411588790.db2.gz UVLHFCFPTHZCLP-MRVPVSSYSA-N 1 2 215.247 1.791 20 0 BDADLO CCN1CC[C@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000660462783 411588793 /nfs/dbraw/zinc/58/87/93/411588793.db2.gz UOHKHXHOFQKVRN-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO CCN1CC[C@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000660462783 411588795 /nfs/dbraw/zinc/58/87/95/411588795.db2.gz UOHKHXHOFQKVRN-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000657790994 411597560 /nfs/dbraw/zinc/59/75/60/411597560.db2.gz ZFDSWNAQCMXVOO-KOLCDFICSA-N 1 2 243.738 1.649 20 0 BDADLO CCCn1cc(C[NH2+][C@H](C)c2nccn2C)cn1 ZINC000657792438 411598465 /nfs/dbraw/zinc/59/84/65/411598465.db2.gz BGPLWTSCJNMDJG-LLVKDONJSA-N 1 2 247.346 1.877 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1nccn1C ZINC000657793984 411598558 /nfs/dbraw/zinc/59/85/58/411598558.db2.gz RYDZWFUBHAENPW-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO Cc1noc([C@H]2CCCN2Cc2cn(C)c[nH+]2)n1 ZINC000660549329 411599051 /nfs/dbraw/zinc/59/90/51/411599051.db2.gz VMTYTIAJZDAZME-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2nccn2C)[nH+]c1C ZINC000657793189 411599272 /nfs/dbraw/zinc/59/92/72/411599272.db2.gz HSNNGPWGAYOGNP-SNVBAGLBSA-N 1 2 233.319 1.611 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCn3cncc3C2)O1 ZINC000660582445 411602733 /nfs/dbraw/zinc/60/27/33/411602733.db2.gz UQLMECQOMKUVKM-GFCCVEGCSA-N 1 2 235.331 1.656 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCn3cncc3C2)O1 ZINC000660582445 411602735 /nfs/dbraw/zinc/60/27/35/411602735.db2.gz UQLMECQOMKUVKM-GFCCVEGCSA-N 1 2 235.331 1.656 20 0 BDADLO CC1(C)CC[C@H](CN2CCn3c[nH+]cc3C2)O1 ZINC000660582445 411602737 /nfs/dbraw/zinc/60/27/37/411602737.db2.gz UQLMECQOMKUVKM-GFCCVEGCSA-N 1 2 235.331 1.656 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)co1 ZINC000660623468 411608734 /nfs/dbraw/zinc/60/87/34/411608734.db2.gz NQBMCSQFNNRQTK-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)co1 ZINC000660623468 411608735 /nfs/dbraw/zinc/60/87/35/411608735.db2.gz NQBMCSQFNNRQTK-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)[nH]1 ZINC000660640967 411611044 /nfs/dbraw/zinc/61/10/44/411611044.db2.gz UCFZKIOQPUVVEY-HLTSFMKQSA-N 1 2 208.309 1.768 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)[nH]1 ZINC000660640967 411611046 /nfs/dbraw/zinc/61/10/46/411611046.db2.gz UCFZKIOQPUVVEY-HLTSFMKQSA-N 1 2 208.309 1.768 20 0 BDADLO CC(C)[C@H]1C[N@H+](CCc2cnn[nH]2)CCCO1 ZINC000660647445 411611986 /nfs/dbraw/zinc/61/19/86/411611986.db2.gz QUYZIIBNBLJZON-GFCCVEGCSA-N 1 2 238.335 1.094 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CCc2cnn[nH]2)CCCO1 ZINC000660647445 411611987 /nfs/dbraw/zinc/61/19/87/411611987.db2.gz QUYZIIBNBLJZON-GFCCVEGCSA-N 1 2 238.335 1.094 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CC(C)(C)CO)[nH]1 ZINC000660672339 411616225 /nfs/dbraw/zinc/61/62/25/411616225.db2.gz UEPOLVYAQRTNSH-VIFPVBQESA-N 1 2 240.351 1.378 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CC(C)(C)CO)[nH]1 ZINC000660672339 411616226 /nfs/dbraw/zinc/61/62/26/411616226.db2.gz UEPOLVYAQRTNSH-VIFPVBQESA-N 1 2 240.351 1.378 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H](F)C2)sn1 ZINC000660690459 411617662 /nfs/dbraw/zinc/61/76/62/411617662.db2.gz CDIPTXPKRSOIAZ-ZETCQYMHSA-N 1 2 216.281 1.696 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H](F)C2)sn1 ZINC000660690459 411617663 /nfs/dbraw/zinc/61/76/63/411617663.db2.gz CDIPTXPKRSOIAZ-ZETCQYMHSA-N 1 2 216.281 1.696 20 0 BDADLO CCC[C@H](C)[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660728358 411619519 /nfs/dbraw/zinc/61/95/19/411619519.db2.gz QPRDDHHTMNTWSQ-VIFPVBQESA-N 1 2 219.350 1.294 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000661147984 411719267 /nfs/dbraw/zinc/71/92/67/411719267.db2.gz DSNHXCSVVDMWNB-IWSPIJDZSA-N 1 2 222.292 1.189 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@H](CC)O1 ZINC000660833573 411651668 /nfs/dbraw/zinc/65/16/68/411651668.db2.gz OWVPYQAYDOEVIJ-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@H](CC)O1 ZINC000660833573 411651672 /nfs/dbraw/zinc/65/16/72/411651672.db2.gz OWVPYQAYDOEVIJ-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660843401 411653409 /nfs/dbraw/zinc/65/34/09/411653409.db2.gz WXPZGVUIAKAUKW-MRVPVSSYSA-N 1 2 249.274 1.067 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660843401 411653414 /nfs/dbraw/zinc/65/34/14/411653414.db2.gz WXPZGVUIAKAUKW-MRVPVSSYSA-N 1 2 249.274 1.067 20 0 BDADLO C[N@H+](CCCCCF)Cc1n[nH]c(=O)o1 ZINC000660841431 411654636 /nfs/dbraw/zinc/65/46/36/411654636.db2.gz DWFXADORBUTATG-UHFFFAOYSA-N 1 2 217.244 1.347 20 0 BDADLO C[N@@H+](CCCCCF)Cc1n[nH]c(=O)o1 ZINC000660841431 411654639 /nfs/dbraw/zinc/65/46/39/411654639.db2.gz DWFXADORBUTATG-UHFFFAOYSA-N 1 2 217.244 1.347 20 0 BDADLO C[N@H+](CCCc1ccncc1)Cc1n[nH]c(=O)o1 ZINC000660845482 411657721 /nfs/dbraw/zinc/65/77/21/411657721.db2.gz PYEVYXYFTQIKGK-UHFFFAOYSA-N 1 2 248.286 1.235 20 0 BDADLO C[N@@H+](CCCc1ccncc1)Cc1n[nH]c(=O)o1 ZINC000660845482 411657726 /nfs/dbraw/zinc/65/77/26/411657726.db2.gz PYEVYXYFTQIKGK-UHFFFAOYSA-N 1 2 248.286 1.235 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cn(C)cn1 ZINC000660912617 411668634 /nfs/dbraw/zinc/66/86/34/411668634.db2.gz LFYQXWRPJVHXPA-OLZOCXBDSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cn(C)cn1 ZINC000660912617 411668640 /nfs/dbraw/zinc/66/86/40/411668640.db2.gz LFYQXWRPJVHXPA-OLZOCXBDSA-N 1 2 237.347 1.810 20 0 BDADLO C[N@H+](CCOC[C@@H]1CCCO1)Cc1cnc[nH]1 ZINC000661084318 411695682 /nfs/dbraw/zinc/69/56/82/411695682.db2.gz DUBMFQAEECOOSQ-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1cnc[nH]1 ZINC000661084318 411695686 /nfs/dbraw/zinc/69/56/86/411695686.db2.gz DUBMFQAEECOOSQ-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@H+](CCOC[C@@H]1CCCO1)Cc1c[nH]cn1 ZINC000661084318 411695690 /nfs/dbraw/zinc/69/56/90/411695690.db2.gz DUBMFQAEECOOSQ-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1c[nH]cn1 ZINC000661084318 411695695 /nfs/dbraw/zinc/69/56/95/411695695.db2.gz DUBMFQAEECOOSQ-LBPRGKRZSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@H+](CCOC[C@H]1CCCO1)Cc1cnc[nH]1 ZINC000661084314 411696270 /nfs/dbraw/zinc/69/62/70/411696270.db2.gz DUBMFQAEECOOSQ-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC[C@H]1CCCO1)Cc1cnc[nH]1 ZINC000661084314 411696274 /nfs/dbraw/zinc/69/62/74/411696274.db2.gz DUBMFQAEECOOSQ-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@H+](CCOC[C@H]1CCCO1)Cc1c[nH]cn1 ZINC000661084314 411696277 /nfs/dbraw/zinc/69/62/77/411696277.db2.gz DUBMFQAEECOOSQ-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC[C@H]1CCCO1)Cc1c[nH]cn1 ZINC000661084314 411696281 /nfs/dbraw/zinc/69/62/81/411696281.db2.gz DUBMFQAEECOOSQ-GFCCVEGCSA-N 1 2 239.319 1.037 20 0 BDADLO CC(C)[C@@H](C)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661083776 411697095 /nfs/dbraw/zinc/69/70/95/411697095.db2.gz LDLZOKALMUNMNO-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO CC(C)[C@@H](C)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661083776 411697099 /nfs/dbraw/zinc/69/70/99/411697099.db2.gz LDLZOKALMUNMNO-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2cnc[nH]2)n1 ZINC000661087587 411700504 /nfs/dbraw/zinc/70/05/04/411700504.db2.gz ULCXWJUARBHPKU-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2cnc[nH]2)n1 ZINC000661087587 411700508 /nfs/dbraw/zinc/70/05/08/411700508.db2.gz ULCXWJUARBHPKU-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2c[nH]cn2)n1 ZINC000661087587 411700512 /nfs/dbraw/zinc/70/05/12/411700512.db2.gz ULCXWJUARBHPKU-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2c[nH]cn2)n1 ZINC000661087587 411700517 /nfs/dbraw/zinc/70/05/17/411700517.db2.gz ULCXWJUARBHPKU-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cn1cc[nH+]c1CNc1cc(CO)c(F)cn1 ZINC000663540855 411701027 /nfs/dbraw/zinc/70/10/27/411701027.db2.gz RVJXKHYZBGYTPN-UHFFFAOYSA-N 1 2 236.250 1.059 20 0 BDADLO C[C@@H](NC(=O)N[C@@H](C)CF)c1[nH+]ccn1C ZINC000661185271 411730059 /nfs/dbraw/zinc/73/00/59/411730059.db2.gz CWYCBGXLYNAQEA-JGVFFNPUSA-N 1 2 228.271 1.138 20 0 BDADLO C[C@H](CO)N(C)c1[nH+]ccc2c(N)cccc21 ZINC000663742976 411735626 /nfs/dbraw/zinc/73/56/26/411735626.db2.gz KORJRLQIQQMHLR-SECBINFHSA-N 1 2 231.299 1.634 20 0 BDADLO CC[C@@H](CO)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071540780 411742913 /nfs/dbraw/zinc/74/29/13/411742913.db2.gz LXCXUIMHTHNQMQ-NSHDSACASA-N 1 2 247.298 1.143 20 0 BDADLO CC/C=C\CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661261117 411745118 /nfs/dbraw/zinc/74/51/18/411745118.db2.gz BNKWBWXOAVYCKV-PLNGDYQASA-N 1 2 222.292 1.517 20 0 BDADLO CC/C=C\CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661261117 411745122 /nfs/dbraw/zinc/74/51/22/411745122.db2.gz BNKWBWXOAVYCKV-PLNGDYQASA-N 1 2 222.292 1.517 20 0 BDADLO COc1cccc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000616947897 411746165 /nfs/dbraw/zinc/74/61/65/411746165.db2.gz MIAPLZMWJTZDAD-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCc1cc(NC(=O)NCc2[nH+]ccn2C)no1 ZINC000606958432 411763463 /nfs/dbraw/zinc/76/34/63/411763463.db2.gz HZGYNGFWAMTNHF-UHFFFAOYSA-N 1 2 249.274 1.292 20 0 BDADLO CCc1cc(NCc2nnc3n2CCC3)nc[nH+]1 ZINC000603369277 411768523 /nfs/dbraw/zinc/76/85/23/411768523.db2.gz OKQYSSDGIWMBIL-UHFFFAOYSA-N 1 2 244.302 1.189 20 0 BDADLO CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cn2)C1 ZINC000663912798 411771651 /nfs/dbraw/zinc/77/16/51/411771651.db2.gz BVJBFOXORNLLQK-LLVKDONJSA-N 1 2 234.303 1.065 20 0 BDADLO COc1cc[nH+]cc1CNc1ccc(C)nn1 ZINC000663934110 411781598 /nfs/dbraw/zinc/78/15/98/411781598.db2.gz GPTXTEIPVGJOBJ-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cc1nc(NCc2n[nH]c(=O)n2C2CC2)cc[nH+]1 ZINC000631440805 411788028 /nfs/dbraw/zinc/78/80/28/411788028.db2.gz AGHJURSSZJPSKH-UHFFFAOYSA-N 1 2 246.274 1.029 20 0 BDADLO c1nncn1CCNc1cc[nH+]c(C2CC2)n1 ZINC000663950100 411789004 /nfs/dbraw/zinc/78/90/04/411789004.db2.gz GZDGQOLCWBJMLK-UHFFFAOYSA-N 1 2 230.275 1.058 20 0 BDADLO COCc1cc(NCc2ccc[nH+]c2N)ncn1 ZINC000663961275 411791017 /nfs/dbraw/zinc/79/10/17/411791017.db2.gz DDSHGLTWVAJYJS-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO Cn1cc(C[NH+]2CCC(c3ccco3)CC2)nn1 ZINC000661161351 411723993 /nfs/dbraw/zinc/72/39/93/411723993.db2.gz QWJYKSTZPSRFLX-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO Cc1cnc(N(C)Cc2c[nH+]c[nH]2)nc1 ZINC000664128591 411864735 /nfs/dbraw/zinc/86/47/35/411864735.db2.gz ZJFQOIUCSKTLOA-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1cnc(N(C)Cc2c[nH]c[nH+]2)nc1 ZINC000664128591 411864737 /nfs/dbraw/zinc/86/47/37/411864737.db2.gz ZJFQOIUCSKTLOA-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515056 411794662 /nfs/dbraw/zinc/79/46/62/411794662.db2.gz USDLRJHMOSXMQS-LLVKDONJSA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515056 411794664 /nfs/dbraw/zinc/79/46/64/411794664.db2.gz USDLRJHMOSXMQS-LLVKDONJSA-N 1 2 222.263 1.319 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nnc(C)o1)C1CCC1 ZINC000661528917 411795933 /nfs/dbraw/zinc/79/59/33/411795933.db2.gz VIVPYLSRQARDRW-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nnc(C)o1)C1CCC1 ZINC000661528917 411795936 /nfs/dbraw/zinc/79/59/36/411795936.db2.gz VIVPYLSRQARDRW-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nnc(C)o1)C1CCC1 ZINC000661528918 411796307 /nfs/dbraw/zinc/79/63/07/411796307.db2.gz VIVPYLSRQARDRW-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nnc(C)o1)C1CCC1 ZINC000661528918 411796313 /nfs/dbraw/zinc/79/63/13/411796313.db2.gz VIVPYLSRQARDRW-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nocc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661539036 411798163 /nfs/dbraw/zinc/79/81/63/411798163.db2.gz NAGGDSYNFVMXAH-RKDXNWHRSA-N 1 2 222.288 1.640 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccnc2)C[C@@H](C)C1=O ZINC000661551325 411799672 /nfs/dbraw/zinc/79/96/72/411799672.db2.gz QPVIHHGNEDQJTH-GHMZBOCLSA-N 1 2 218.300 1.739 20 0 BDADLO COc1ncccc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545242 411800121 /nfs/dbraw/zinc/80/01/21/411800121.db2.gz TZYQZUYQJADILH-GHMZBOCLSA-N 1 2 248.326 1.747 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccn(C)n1 ZINC000492412570 411813431 /nfs/dbraw/zinc/81/34/31/411813431.db2.gz VWFOYYJOFSUVBJ-SNAWJCMRSA-N 1 2 245.286 1.288 20 0 BDADLO CCc1ncn(Cc2c[nH+]ccc2OC)n1 ZINC000664041739 411824547 /nfs/dbraw/zinc/82/45/47/411824547.db2.gz VNBCSLGNOCMBLB-UHFFFAOYSA-N 1 2 218.260 1.292 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC2=CCCOC2)[nH]1 ZINC000661652299 411827722 /nfs/dbraw/zinc/82/77/22/411827722.db2.gz KXQPTDQERYTWHQ-SECBINFHSA-N 1 2 236.319 1.453 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC2=CCCOC2)[nH]1 ZINC000661652299 411827724 /nfs/dbraw/zinc/82/77/24/411827724.db2.gz KXQPTDQERYTWHQ-SECBINFHSA-N 1 2 236.319 1.453 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@@H]2CCCC[C@@H]21 ZINC000664079796 411842877 /nfs/dbraw/zinc/84/28/77/411842877.db2.gz GPVMZEHXUNELHG-IUCAKERBSA-N 1 2 234.303 1.446 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@@H]2CCCC[C@@H]21 ZINC000664079796 411842882 /nfs/dbraw/zinc/84/28/82/411842882.db2.gz GPVMZEHXUNELHG-IUCAKERBSA-N 1 2 234.303 1.446 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@H+](Cc1csnn1)C2 ZINC000661706241 411849071 /nfs/dbraw/zinc/84/90/71/411849071.db2.gz YRWLBRNBISIICR-WCBMZHEXSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1csnn1)C2 ZINC000661706241 411849075 /nfs/dbraw/zinc/84/90/75/411849075.db2.gz YRWLBRNBISIICR-WCBMZHEXSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661721615 411858588 /nfs/dbraw/zinc/85/85/88/411858588.db2.gz RVFMPPDTMBNGSU-OYNCUSHFSA-N 1 2 225.317 1.056 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661721615 411858590 /nfs/dbraw/zinc/85/85/90/411858590.db2.gz RVFMPPDTMBNGSU-OYNCUSHFSA-N 1 2 225.317 1.056 20 0 BDADLO OC/C=C\CNc1cc(N2CCCC2)nc[nH+]1 ZINC000664234505 411892332 /nfs/dbraw/zinc/89/23/32/411892332.db2.gz CQHPJXSNWMHTRC-RJRFIUFISA-N 1 2 234.303 1.037 20 0 BDADLO OC/C=C\CNc1cc(N2CCCC2)[nH+]cn1 ZINC000664234505 411892335 /nfs/dbraw/zinc/89/23/35/411892335.db2.gz CQHPJXSNWMHTRC-RJRFIUFISA-N 1 2 234.303 1.037 20 0 BDADLO CO[C@H]1C[C@@H](Nc2nc(C)[nH+]c(N)n2)C12CCC2 ZINC000631301029 411898489 /nfs/dbraw/zinc/89/84/89/411898489.db2.gz MZXCQSLOGUVEIX-BDAKNGLRSA-N 1 2 249.318 1.132 20 0 BDADLO CO[C@H]1C[C@@H](Nc2nc(N)nc(C)[nH+]2)C12CCC2 ZINC000631301029 411898495 /nfs/dbraw/zinc/89/84/95/411898495.db2.gz MZXCQSLOGUVEIX-BDAKNGLRSA-N 1 2 249.318 1.132 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C12CCC2 ZINC000661838721 411900232 /nfs/dbraw/zinc/90/02/32/411900232.db2.gz OAZLRZLQTMHULG-ZJUUUORDSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1cc(N2CC3(CCC3)OC[C@H]2C)nc[nH+]1 ZINC000664278424 411910799 /nfs/dbraw/zinc/91/07/99/411910799.db2.gz MZQUBZXIFGZRCI-LLVKDONJSA-N 1 2 233.315 1.933 20 0 BDADLO Cc1nc(N2CC3(CCC3)OC[C@@H]2C)cc[nH+]1 ZINC000664279629 411912010 /nfs/dbraw/zinc/91/20/10/411912010.db2.gz WJOZGWSWLTWXSI-JTQLQIEISA-N 1 2 233.315 1.933 20 0 BDADLO Cc1nc(N2C[C@]3(C)COC[C@]3(C)C2)cc[nH+]1 ZINC000664289190 411913371 /nfs/dbraw/zinc/91/33/71/411913371.db2.gz YQRXWYBOFCUUGG-BETUJISGSA-N 1 2 233.315 1.648 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661968997 411925927 /nfs/dbraw/zinc/92/59/27/411925927.db2.gz ASRLCXZHBWJGTE-OPRDCNLKSA-N 1 2 237.303 1.619 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661968997 411925931 /nfs/dbraw/zinc/92/59/31/411925931.db2.gz ASRLCXZHBWJGTE-OPRDCNLKSA-N 1 2 237.303 1.619 20 0 BDADLO O[C@@]1(C2CC2)CCCN(c2cccc[nH+]2)C1 ZINC000664351425 411929131 /nfs/dbraw/zinc/92/91/31/411929131.db2.gz ILFASHPOGHWXEE-ZDUSSCGKSA-N 1 2 218.300 1.823 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@]12C[C@H]1CCC2 ZINC000664159006 411874787 /nfs/dbraw/zinc/87/47/87/411874787.db2.gz APLHZVPKDLDAEC-PRHODGIISA-N 1 2 229.287 1.718 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CC=CCC1)c1[nH+]ccn1C ZINC000664173716 411879251 /nfs/dbraw/zinc/87/92/51/411879251.db2.gz OOBOSQPBPVEMQF-MNOVXSKESA-N 1 2 248.330 1.889 20 0 BDADLO OC[C@@H](CNc1cccc[nH+]1)CC1CC1 ZINC000664461402 411964484 /nfs/dbraw/zinc/96/44/84/411964484.db2.gz BXWZBTRYGFANJT-LLVKDONJSA-N 1 2 206.289 1.902 20 0 BDADLO c1cc2[nH+]ccc(N3CCC4(COC4)C3)c2cn1 ZINC000664570055 411989398 /nfs/dbraw/zinc/98/93/98/411989398.db2.gz OCVVVCWSIQCLOQ-UHFFFAOYSA-N 1 2 241.294 1.857 20 0 BDADLO C[C@H](Nc1ncccn1)c1[nH+]ccn1C ZINC000664608223 411998300 /nfs/dbraw/zinc/99/83/00/411998300.db2.gz CBUUNHVEJREEMB-QMMMGPOBSA-N 1 2 203.249 1.383 20 0 BDADLO O[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000664643899 412003059 /nfs/dbraw/zinc/00/30/59/412003059.db2.gz FNBAUFMISUNPLX-KYZUINATSA-N 1 2 205.261 1.289 20 0 BDADLO O[C@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000664645000 412005517 /nfs/dbraw/zinc/00/55/17/412005517.db2.gz YICIYDBFFUHKMC-MGCOHNPYSA-N 1 2 234.303 1.012 20 0 BDADLO O[C@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000664645000 412005520 /nfs/dbraw/zinc/00/55/20/412005520.db2.gz YICIYDBFFUHKMC-MGCOHNPYSA-N 1 2 234.303 1.012 20 0 BDADLO Cc1cc(N2CCO[C@](C)(C(F)F)C2)nc[nH+]1 ZINC000664689521 412010336 /nfs/dbraw/zinc/01/03/36/412010336.db2.gz OHKZFNPCEDIFQD-NSHDSACASA-N 1 2 243.257 1.645 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3COC[C@@H]3C2)no1 ZINC000662029824 411944892 /nfs/dbraw/zinc/94/48/92/411944892.db2.gz BUFZWGXZGLVPAE-GDPRMGEGSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3COC[C@@H]3C2)no1 ZINC000662029824 411944896 /nfs/dbraw/zinc/94/48/96/411944896.db2.gz BUFZWGXZGLVPAE-GDPRMGEGSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc(N2C[C@@H]3COC[C@@]3(C)C2)c(C)c(C)[nH+]1 ZINC000664418908 411949661 /nfs/dbraw/zinc/94/96/61/411949661.db2.gz ROFBNIRYMADVKS-TZMCWYRMSA-N 1 2 247.342 1.875 20 0 BDADLO Cc1nc(N2CCC[C@@H]2[C@H](C)O)cc[nH+]1 ZINC000664440036 411957793 /nfs/dbraw/zinc/95/77/93/411957793.db2.gz UAMHMSRQVSFWBH-WCBMZHEXSA-N 1 2 207.277 1.135 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)c2[nH+]ccn2C)no1 ZINC000664454922 411963087 /nfs/dbraw/zinc/96/30/87/411963087.db2.gz RCFWBIUFNVYFBK-QMMMGPOBSA-N 1 2 249.274 1.599 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662224321 412031082 /nfs/dbraw/zinc/03/10/82/412031082.db2.gz WOMRZZKUJPTVLW-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662224321 412031086 /nfs/dbraw/zinc/03/10/86/412031086.db2.gz WOMRZZKUJPTVLW-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO OCCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230812 412032586 /nfs/dbraw/zinc/03/25/86/412032586.db2.gz HJGMLGLDBSXEBG-VIFPVBQESA-N 1 2 241.253 1.412 20 0 BDADLO OCCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230812 412032588 /nfs/dbraw/zinc/03/25/88/412032588.db2.gz HJGMLGLDBSXEBG-VIFPVBQESA-N 1 2 241.253 1.412 20 0 BDADLO c1n[nH]c2c1C[N@H+](CC[C@H]1CCOC1)CCC2 ZINC000664861835 412035006 /nfs/dbraw/zinc/03/50/06/412035006.db2.gz ZFUDDVDTFTWFPQ-NSHDSACASA-N 1 2 235.331 1.585 20 0 BDADLO c1n[nH]c2c1C[N@@H+](CC[C@H]1CCOC1)CCC2 ZINC000664861835 412035008 /nfs/dbraw/zinc/03/50/08/412035008.db2.gz ZFUDDVDTFTWFPQ-NSHDSACASA-N 1 2 235.331 1.585 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC(C)(C)O)s1 ZINC000662256654 412051089 /nfs/dbraw/zinc/05/10/89/412051089.db2.gz XQUKQUWZPZDQHN-UHFFFAOYSA-N 1 2 229.349 1.439 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC(C)(C)O)s1 ZINC000662256654 412051091 /nfs/dbraw/zinc/05/10/91/412051091.db2.gz XQUKQUWZPZDQHN-UHFFFAOYSA-N 1 2 229.349 1.439 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1nnc(C)s1)OC ZINC000662257434 412051905 /nfs/dbraw/zinc/05/19/05/412051905.db2.gz RTVDGBNPQINAAN-SECBINFHSA-N 1 2 229.349 1.703 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1nnc(C)s1)OC ZINC000662257434 412051909 /nfs/dbraw/zinc/05/19/09/412051909.db2.gz RTVDGBNPQINAAN-SECBINFHSA-N 1 2 229.349 1.703 20 0 BDADLO Cn1ccc(C[N@H+](C)CC2=CCSC2)n1 ZINC000662262641 412053161 /nfs/dbraw/zinc/05/31/61/412053161.db2.gz BOTGDHWZQUFYAR-UHFFFAOYSA-N 1 2 223.345 1.525 20 0 BDADLO Cn1ccc(C[N@@H+](C)CC2=CCSC2)n1 ZINC000662262641 412053164 /nfs/dbraw/zinc/05/31/64/412053164.db2.gz BOTGDHWZQUFYAR-UHFFFAOYSA-N 1 2 223.345 1.525 20 0 BDADLO Cc1nnc(CN(C)Cc2c[nH+]cn2C)s1 ZINC000662261376 412053426 /nfs/dbraw/zinc/05/34/26/412053426.db2.gz WXEPVWFCKPGOMY-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1cc[nH+]cc1Cc1noc(CC(C)(C)O)n1 ZINC000664982133 412055236 /nfs/dbraw/zinc/05/52/36/412055236.db2.gz GXZRZPGBZMOXHR-UHFFFAOYSA-N 1 2 247.298 1.677 20 0 BDADLO CC[C@@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000294189020 171015627 /nfs/dbraw/zinc/01/56/27/171015627.db2.gz XGCQQLBIJZGQGH-SNVBAGLBSA-N 1 2 221.304 1.364 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000336557115 171019320 /nfs/dbraw/zinc/01/93/20/171019320.db2.gz GMUABTPEAOEFKJ-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346115238 171050809 /nfs/dbraw/zinc/05/08/09/171050809.db2.gz UWDWRKQQEXNDKJ-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000346115238 171050811 /nfs/dbraw/zinc/05/08/11/171050811.db2.gz UWDWRKQQEXNDKJ-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC(C)C)C[C@H](C)O1 ZINC000111277360 171077055 /nfs/dbraw/zinc/07/70/55/171077055.db2.gz FRCDSCGYAIGPEW-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@H](C)O1 ZINC000111277360 171077058 /nfs/dbraw/zinc/07/70/58/171077058.db2.gz FRCDSCGYAIGPEW-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000672157219 487621603 /nfs/dbraw/zinc/62/16/03/487621603.db2.gz XONWYIWBCTXXRL-XEZLXBQYSA-N 1 2 245.326 1.360 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CC)c2)CCO1 ZINC000125521908 171090216 /nfs/dbraw/zinc/09/02/16/171090216.db2.gz FSPZDWSRRUWZTC-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)CCO1 ZINC000125521908 171090219 /nfs/dbraw/zinc/09/02/19/171090219.db2.gz FSPZDWSRRUWZTC-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc3cnccn23)CCO1 ZINC000125523259 171091984 /nfs/dbraw/zinc/09/19/84/171091984.db2.gz YUYNTHYMHOSBBY-GFCCVEGCSA-N 1 2 246.314 1.340 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc3cnccn23)CCO1 ZINC000125523259 171091986 /nfs/dbraw/zinc/09/19/86/171091986.db2.gz YUYNTHYMHOSBBY-GFCCVEGCSA-N 1 2 246.314 1.340 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@H]1O ZINC000341014052 171094593 /nfs/dbraw/zinc/09/45/93/171094593.db2.gz QQQRITLYPJFGAY-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@H]1O ZINC000341014052 171094596 /nfs/dbraw/zinc/09/45/96/171094596.db2.gz QQQRITLYPJFGAY-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000270608394 171097424 /nfs/dbraw/zinc/09/74/24/171097424.db2.gz XNORQDABGZYZCI-SKDRFNHKSA-N 1 2 231.299 1.770 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000270437265 171098341 /nfs/dbraw/zinc/09/83/41/171098341.db2.gz DPCUCUTYIKTPIA-KOLCDFICSA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)cn1 ZINC000338302695 171105221 /nfs/dbraw/zinc/10/52/21/171105221.db2.gz DZMCCZYBKGWCSZ-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)cn1 ZINC000338302695 171105225 /nfs/dbraw/zinc/10/52/25/171105225.db2.gz DZMCCZYBKGWCSZ-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)C(C)C ZINC000357033750 171108657 /nfs/dbraw/zinc/10/86/57/171108657.db2.gz IDVOYDPUDQPAMI-NWDGAFQWSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)C(C)C ZINC000357033750 171108659 /nfs/dbraw/zinc/10/86/59/171108659.db2.gz IDVOYDPUDQPAMI-NWDGAFQWSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC1CC1 ZINC000356476559 171112150 /nfs/dbraw/zinc/11/21/50/171112150.db2.gz UBFBTLODFOQKFH-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC1CC1 ZINC000356476559 171112151 /nfs/dbraw/zinc/11/21/51/171112151.db2.gz UBFBTLODFOQKFH-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000334086905 171133232 /nfs/dbraw/zinc/13/32/32/171133232.db2.gz MKTLLFWWSUWBOS-MNOVXSKESA-N 1 2 248.330 1.454 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000281741354 171133799 /nfs/dbraw/zinc/13/37/99/171133799.db2.gz GZCZKDRPPYTUJO-MWLCHTKSSA-N 1 2 221.304 1.267 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333845874 171137478 /nfs/dbraw/zinc/13/74/78/171137478.db2.gz OHKGYSYPCUMNLG-GWOFURMSSA-N 1 2 248.330 1.987 20 0 BDADLO CC[C@@]1(C)CC(=O)N(Cc2c[nH+]cn2C)C1=O ZINC000329168074 171197501 /nfs/dbraw/zinc/19/75/01/171197501.db2.gz IPINPQDZFITHQT-LBPRGKRZSA-N 1 2 235.287 1.095 20 0 BDADLO CC[C@@]1(C)CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337846038 171201823 /nfs/dbraw/zinc/20/18/23/171201823.db2.gz CZFWICWFALHDTM-ZDUSSCGKSA-N 1 2 245.330 1.990 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NCC(C)C ZINC000340866916 171204654 /nfs/dbraw/zinc/20/46/54/171204654.db2.gz GWLAQPAVOCXZPG-ZDUSSCGKSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NCC(C)C ZINC000340866916 171204655 /nfs/dbraw/zinc/20/46/55/171204655.db2.gz GWLAQPAVOCXZPG-ZDUSSCGKSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000332055161 171220680 /nfs/dbraw/zinc/22/06/80/171220680.db2.gz WZHUESKIJSISIH-KEMUVXCRSA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000332055161 171220682 /nfs/dbraw/zinc/22/06/82/171220682.db2.gz WZHUESKIJSISIH-KEMUVXCRSA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCc2ncccc2C1 ZINC000368634315 171242045 /nfs/dbraw/zinc/24/20/45/171242045.db2.gz PRJABOUSKNMEFC-GFCCVEGCSA-N 1 2 234.299 1.391 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCc2ncccc2C1 ZINC000368634315 171242047 /nfs/dbraw/zinc/24/20/47/171242047.db2.gz PRJABOUSKNMEFC-GFCCVEGCSA-N 1 2 234.299 1.391 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000263769118 171245346 /nfs/dbraw/zinc/24/53/46/171245346.db2.gz JNFNHALJKKLBBO-OLZOCXBDSA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000263769118 171245347 /nfs/dbraw/zinc/24/53/47/171245347.db2.gz JNFNHALJKKLBBO-OLZOCXBDSA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccno1 ZINC000281215513 171311620 /nfs/dbraw/zinc/31/16/20/171311620.db2.gz DNKXELQGKQWRBX-VIFPVBQESA-N 1 2 226.276 1.448 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccno1 ZINC000281215513 171311621 /nfs/dbraw/zinc/31/16/21/171311621.db2.gz DNKXELQGKQWRBX-VIFPVBQESA-N 1 2 226.276 1.448 20 0 BDADLO CC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000331363424 171330006 /nfs/dbraw/zinc/33/00/06/171330006.db2.gz AGZSYNDMQANVDS-LPEHRKFASA-N 1 2 236.319 1.987 20 0 BDADLO CC[C@H](C)Nc1cc(C(N)=S)cc[nH+]1 ZINC000019504946 171349464 /nfs/dbraw/zinc/34/94/64/171349464.db2.gz MBCNSDLZLWYLHP-ZETCQYMHSA-N 1 2 209.318 1.926 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+]Cc1cn[nH]c1C)OC ZINC000294296721 171368415 /nfs/dbraw/zinc/36/84/15/171368415.db2.gz UOWDLYZBJXPIEN-JOYOIKCWSA-N 1 2 225.336 1.869 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC000308967904 171374780 /nfs/dbraw/zinc/37/47/80/171374780.db2.gz XDNCOTSOEUSSLE-LPEHRKFASA-N 1 2 217.309 1.199 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC3CC2(C)C3)no1 ZINC000662385238 412137361 /nfs/dbraw/zinc/13/73/61/412137361.db2.gz OUMVQNQGDYPOII-DSXZHNHRSA-N 1 2 207.277 1.923 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC3CC2(C)C3)no1 ZINC000662385238 412137364 /nfs/dbraw/zinc/13/73/64/412137364.db2.gz OUMVQNQGDYPOII-DSXZHNHRSA-N 1 2 207.277 1.923 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+]Cc1cn[nH]c1C)OC ZINC000294296717 171391852 /nfs/dbraw/zinc/39/18/52/171391852.db2.gz UOWDLYZBJXPIEN-CABZTGNLSA-N 1 2 225.336 1.869 20 0 BDADLO CC[C@H](C)[C@H](CNc1cc[nH+]c(C)n1)OC ZINC000362975378 171392166 /nfs/dbraw/zinc/39/21/66/171392166.db2.gz FIPQUYBGDWEOKW-ONGXEEELSA-N 1 2 223.320 1.680 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000362978330 171392902 /nfs/dbraw/zinc/39/29/02/171392902.db2.gz ZGRYQAREXRSROS-DLOVCJGASA-N 1 2 243.347 1.589 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000665089422 412086679 /nfs/dbraw/zinc/08/66/79/412086679.db2.gz HSQKGLHLPRQPCQ-IJLUTSLNSA-N 1 2 247.342 1.782 20 0 BDADLO CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665100305 412093894 /nfs/dbraw/zinc/09/38/94/412093894.db2.gz UHIPTWJUGAKTTG-NXEZZACHSA-N 1 2 221.304 1.440 20 0 BDADLO CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000665144075 412111290 /nfs/dbraw/zinc/11/12/90/412111290.db2.gz GNVXDKLHSNPAGK-VXGBXAGGSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000606451827 412142517 /nfs/dbraw/zinc/14/25/17/412142517.db2.gz BUHXZUSAOQWJPS-MRVPVSSYSA-N 1 2 241.316 1.050 20 0 BDADLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccon1 ZINC000606451827 412142522 /nfs/dbraw/zinc/14/25/22/412142522.db2.gz BUHXZUSAOQWJPS-MRVPVSSYSA-N 1 2 241.316 1.050 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@](C)(C(F)F)O1 ZINC000662366867 412125919 /nfs/dbraw/zinc/12/59/19/412125919.db2.gz UAMBURGJEPRTTF-LDYMZIIASA-N 1 2 245.273 1.654 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](Cc2cccnc2)CCO1 ZINC000662370456 412127104 /nfs/dbraw/zinc/12/71/04/412127104.db2.gz DCZVMKNSTRVHCK-GFCCVEGCSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](Cc2cccnc2)CCO1 ZINC000662370456 412127108 /nfs/dbraw/zinc/12/71/08/412127108.db2.gz DCZVMKNSTRVHCK-GFCCVEGCSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCOCC2CC2)CCO1 ZINC000662372498 412129070 /nfs/dbraw/zinc/12/90/70/412129070.db2.gz XZERRALWQXQRMA-GFCCVEGCSA-N 1 2 249.301 1.769 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCOCC2CC2)CCO1 ZINC000662372498 412129073 /nfs/dbraw/zinc/12/90/73/412129073.db2.gz XZERRALWQXQRMA-GFCCVEGCSA-N 1 2 249.301 1.769 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ncc(Cl)s1 ZINC000624621021 412256647 /nfs/dbraw/zinc/25/66/47/412256647.db2.gz RPOXOLBXGYESTH-SSDOTTSWSA-N 1 2 247.751 1.539 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ncc(Cl)s1 ZINC000624621021 412256652 /nfs/dbraw/zinc/25/66/52/412256652.db2.gz RPOXOLBXGYESTH-SSDOTTSWSA-N 1 2 247.751 1.539 20 0 BDADLO C[C@@H](CCNc1ccc(C(=O)[O-])c[nH+]1)[NH+](C)C ZINC000662883682 412334508 /nfs/dbraw/zinc/33/45/08/412334508.db2.gz OSKJOFCMUMRBOE-VIFPVBQESA-N 1 2 237.303 1.532 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCOC(C)(C)C)[nH]1 ZINC000663132696 412388307 /nfs/dbraw/zinc/38/83/07/412388307.db2.gz PZOHATPEYHCLFM-VIFPVBQESA-N 1 2 240.351 1.921 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCOC(C)(C)C)[nH]1 ZINC000663132696 412388309 /nfs/dbraw/zinc/38/83/09/412388309.db2.gz PZOHATPEYHCLFM-VIFPVBQESA-N 1 2 240.351 1.921 20 0 BDADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cs1 ZINC000179067417 172001512 /nfs/dbraw/zinc/00/15/12/172001512.db2.gz KQMAXBXXKPEDJZ-HTQZYQBOSA-N 1 2 239.344 1.245 20 0 BDADLO CCc1nnc([C@@H](C)Nc2cc[nH+]c(C)n2)[nH]1 ZINC000270725389 172001552 /nfs/dbraw/zinc/00/15/52/172001552.db2.gz PMORRCBZRZSCSL-SSDOTTSWSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1nn(C)c(OC)c1CNCc1[nH]cc[nH+]1 ZINC000093115338 172038936 /nfs/dbraw/zinc/03/89/36/172038936.db2.gz WTVYHEBHBMEVSV-UHFFFAOYSA-N 1 2 249.318 1.004 20 0 BDADLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ncc[nH]1 ZINC000093115338 172038937 /nfs/dbraw/zinc/03/89/37/172038937.db2.gz WTVYHEBHBMEVSV-UHFFFAOYSA-N 1 2 249.318 1.004 20 0 BDADLO CCc1nn(C)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000355588927 172041739 /nfs/dbraw/zinc/04/17/39/172041739.db2.gz UOLHWENRJHOVMB-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CCc1nn(C)cc1NC(=O)CCn1cc[nH+]c1 ZINC000271521467 172042330 /nfs/dbraw/zinc/04/23/30/172042330.db2.gz PWSNPFLEHSEJRB-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CCc1nn(C)cc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000286302402 172043702 /nfs/dbraw/zinc/04/37/02/172043702.db2.gz XBAJMUFNPNOPGV-QMMMGPOBSA-N 1 2 219.292 1.879 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cccnc2)s1 ZINC000309912588 172052727 /nfs/dbraw/zinc/05/27/27/172052727.db2.gz NOOGNRBWFWYWTK-UHFFFAOYSA-N 1 2 234.328 1.785 20 0 BDADLO CCc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000299492094 172059699 /nfs/dbraw/zinc/05/96/99/172059699.db2.gz JRONRDGMDLQPSK-SSDOTTSWSA-N 1 2 240.332 1.133 20 0 BDADLO CCc1nnc(NC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC000299492094 172059702 /nfs/dbraw/zinc/05/97/02/172059702.db2.gz JRONRDGMDLQPSK-SSDOTTSWSA-N 1 2 240.332 1.133 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@H]2CCCO2)o1 ZINC000330672026 172064571 /nfs/dbraw/zinc/06/45/71/172064571.db2.gz FYURHNZWTAMNJV-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000330672026 172064572 /nfs/dbraw/zinc/06/45/72/172064572.db2.gz FYURHNZWTAMNJV-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CCCO)o1 ZINC000331314857 172066284 /nfs/dbraw/zinc/06/62/84/172066284.db2.gz XIKMBSIWJFCUQJ-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CCCO)o1 ZINC000331314857 172066285 /nfs/dbraw/zinc/06/62/85/172066285.db2.gz XIKMBSIWJFCUQJ-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000120012767 172083630 /nfs/dbraw/zinc/08/36/30/172083630.db2.gz NXNDZZHMXXGVHF-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000120012767 172083633 /nfs/dbraw/zinc/08/36/33/172083633.db2.gz NXNDZZHMXXGVHF-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nocc1CN(C)Cc1[nH+]cc(C)n1C ZINC000354360919 172094177 /nfs/dbraw/zinc/09/41/77/172094177.db2.gz ZFUGYHMNCYZFBK-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1c(C)cnn1C ZINC000293763338 172094288 /nfs/dbraw/zinc/09/42/88/172094288.db2.gz YADZCHDQUWMWKZ-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1c(C)cnn1C ZINC000293763338 172094291 /nfs/dbraw/zinc/09/42/91/172094291.db2.gz YADZCHDQUWMWKZ-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1ocnc1C(=O)Nc1c[nH+]ccc1OC ZINC000265754110 172123065 /nfs/dbraw/zinc/12/30/65/172123065.db2.gz IMWGZSFAGXISMK-UHFFFAOYSA-N 1 2 247.254 1.893 20 0 BDADLO CCn1cc(C[N@H+](C)C(C)(C)C(=O)OC)cn1 ZINC000353154645 172161108 /nfs/dbraw/zinc/16/11/08/172161108.db2.gz NHBBKJABYJRKIN-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO CCn1cc(C[N@@H+](C)C(C)(C)C(=O)OC)cn1 ZINC000353154645 172161110 /nfs/dbraw/zinc/16/11/10/172161110.db2.gz NHBBKJABYJRKIN-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO CCn1cc(C[N@H+](CC(=O)OC)C(C)C)cn1 ZINC000050544037 172161815 /nfs/dbraw/zinc/16/18/15/172161815.db2.gz HFCUAKPUARNXLZ-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO CCn1cc(C[N@@H+](CC(=O)OC)C(C)C)cn1 ZINC000050544037 172161816 /nfs/dbraw/zinc/16/18/16/172161816.db2.gz HFCUAKPUARNXLZ-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO CCn1cc(NCc2[nH+]cc(C)n2C)cn1 ZINC000309498793 172187072 /nfs/dbraw/zinc/18/70/72/172187072.db2.gz ZELVXEUMKOOYOJ-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2ccon2)cn1 ZINC000088052517 172194589 /nfs/dbraw/zinc/19/45/89/172194589.db2.gz NJTJIYUSHWMLOP-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCn1ccnc1C[N@H+](C)CCC(N)=O ZINC000330606389 172217453 /nfs/dbraw/zinc/21/74/53/172217453.db2.gz IQPJHDOCBBCCBR-UHFFFAOYSA-N 1 2 210.281 1.260 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CCC(N)=O ZINC000330606389 172217455 /nfs/dbraw/zinc/21/74/55/172217455.db2.gz IQPJHDOCBBCCBR-UHFFFAOYSA-N 1 2 210.281 1.260 20 0 BDADLO CCn1cc[nH+]c1CN1CC(C)(C)OC[C@@H]1C ZINC000336451493 172219919 /nfs/dbraw/zinc/21/99/19/172219919.db2.gz UIGALYPPDUGNDB-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](C2CC2)C1 ZINC000372488019 172220427 /nfs/dbraw/zinc/22/04/27/172220427.db2.gz WLLHLZWRNHNNFV-GFCCVEGCSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)CSC ZINC000295765819 172221652 /nfs/dbraw/zinc/22/16/52/172221652.db2.gz OSBFBBFRLGKAFE-SECBINFHSA-N 1 2 241.360 1.518 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)CC ZINC000295853489 172222000 /nfs/dbraw/zinc/22/20/00/172222000.db2.gz WMHSIYVZNKTWNT-UHFFFAOYSA-N 1 2 223.320 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cncc(C)c1 ZINC000295894741 172222085 /nfs/dbraw/zinc/22/20/85/172222085.db2.gz ZIGRJQIXVSGQMT-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)CSC ZINC000295765820 172222871 /nfs/dbraw/zinc/22/28/71/172222871.db2.gz OSBFBBFRLGKAFE-VIFPVBQESA-N 1 2 241.360 1.518 20 0 BDADLO CCn1cc[nH+]c1CNc1nccc(OC)n1 ZINC000295032967 172226214 /nfs/dbraw/zinc/22/62/14/172226214.db2.gz SAZLQJKQQBFOSX-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO CCn1cc[nH+]c1CNc1nnc(C)s1 ZINC000225505730 172226294 /nfs/dbraw/zinc/22/62/94/172226294.db2.gz WUDKZFDHHJOFGU-UHFFFAOYSA-N 1 2 223.305 1.675 20 0 BDADLO CCn1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000265100507 172244158 /nfs/dbraw/zinc/24/41/58/172244158.db2.gz GZQZFWZIGAOKMM-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@@]1(C)CC ZINC000361166870 172267344 /nfs/dbraw/zinc/26/73/44/172267344.db2.gz OOZAQNFVMLULAE-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@@]1(C)CC ZINC000361166870 172267346 /nfs/dbraw/zinc/26/73/46/172267346.db2.gz OOZAQNFVMLULAE-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362516982 172267809 /nfs/dbraw/zinc/26/78/09/172267809.db2.gz VJMKNTHREZHHIF-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362516982 172267812 /nfs/dbraw/zinc/26/78/12/172267812.db2.gz VJMKNTHREZHHIF-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1nccc1CNc1ccc(CO)c[nH+]1 ZINC000283877781 172273866 /nfs/dbraw/zinc/27/38/66/172273866.db2.gz FISZPBWMNPCKJX-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)C1CC1 ZINC000278640917 172307386 /nfs/dbraw/zinc/30/73/86/172307386.db2.gz OXSXQPUKPAISMH-GFCCVEGCSA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1)C1CC1 ZINC000278640917 172307389 /nfs/dbraw/zinc/30/73/89/172307389.db2.gz OXSXQPUKPAISMH-GFCCVEGCSA-N 1 2 248.330 1.167 20 0 BDADLO CN(C(=O)COCc1[nH]cc[nH+]1)c1ccccc1 ZINC000123718508 172311240 /nfs/dbraw/zinc/31/12/40/172311240.db2.gz REXSIOLDQWRORW-UHFFFAOYSA-N 1 2 245.282 1.589 20 0 BDADLO CN(C(=O)NCCCn1cc[nH+]c1)C1CCC1 ZINC000080596890 172321029 /nfs/dbraw/zinc/32/10/29/172321029.db2.gz MJWVVCYBFSSFAJ-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO CN(C)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000106306169 172368154 /nfs/dbraw/zinc/36/81/54/172368154.db2.gz GLBZNPUIAAASME-UHFFFAOYSA-N 1 2 204.273 1.090 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665848291 487624828 /nfs/dbraw/zinc/62/48/28/487624828.db2.gz MYZWNCQTYNYXRF-NXEZZACHSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665848291 487624833 /nfs/dbraw/zinc/62/48/33/487624833.db2.gz MYZWNCQTYNYXRF-NXEZZACHSA-N 1 2 235.331 1.675 20 0 BDADLO CN(Cc1ncc(C2CC2)o1)Cc1[nH+]ccn1C ZINC000270623839 172927679 /nfs/dbraw/zinc/92/76/79/172927679.db2.gz DUACVVHYALJXRN-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO C[N@@H+]1CCC[C@@H](NCc2ccccn2)C1 ZINC000040672376 173021136 /nfs/dbraw/zinc/02/11/36/173021136.db2.gz XHEVQSNAZFXOPM-GFCCVEGCSA-N 1 2 205.305 1.265 20 0 BDADLO C[N@H+]1CCC[C@@H](NCc2ccccn2)C1 ZINC000040672376 173021139 /nfs/dbraw/zinc/02/11/39/173021139.db2.gz XHEVQSNAZFXOPM-GFCCVEGCSA-N 1 2 205.305 1.265 20 0 BDADLO C[NH+]1CCN(CCCCC2CCOCC2)CC1 ZINC000310077764 173079439 /nfs/dbraw/zinc/07/94/39/173079439.db2.gz HGBMHVBNQCJLNH-UHFFFAOYSA-N 1 2 240.391 1.831 20 0 BDADLO CN1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000334803929 173090867 /nfs/dbraw/zinc/09/08/67/173090867.db2.gz IIJCNCWIKDATLO-UHFFFAOYSA-N 1 2 241.338 1.982 20 0 BDADLO CN1CC[N@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000264681400 173090904 /nfs/dbraw/zinc/09/09/04/173090904.db2.gz CRFDPMDPPGYTJH-UHFFFAOYSA-N 1 2 242.326 1.862 20 0 BDADLO CN1CC[N@@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000264681400 173090907 /nfs/dbraw/zinc/09/09/07/173090907.db2.gz CRFDPMDPPGYTJH-UHFFFAOYSA-N 1 2 242.326 1.862 20 0 BDADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000174363971 173099636 /nfs/dbraw/zinc/09/96/36/173099636.db2.gz AOIZVJIDEMDDIR-LLVKDONJSA-N 1 2 238.262 1.095 20 0 BDADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000174363971 173099638 /nfs/dbraw/zinc/09/96/38/173099638.db2.gz AOIZVJIDEMDDIR-LLVKDONJSA-N 1 2 238.262 1.095 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2ccnc(C3CC3)n2)C1 ZINC000171884367 173102424 /nfs/dbraw/zinc/10/24/24/173102424.db2.gz GMILDHFETPISAY-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2ccnc(C3CC3)n2)C1 ZINC000171884367 173102427 /nfs/dbraw/zinc/10/24/27/173102427.db2.gz GMILDHFETPISAY-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO C[N@@H+]1CCc2ncnc(N[C@H]3CC3(C)C)c2C1 ZINC000299645663 173173248 /nfs/dbraw/zinc/17/32/48/173173248.db2.gz WUPYAHIBYKTKNI-NSHDSACASA-N 1 2 232.331 1.675 20 0 BDADLO C[N@H+]1CCc2ncnc(N[C@H]3CC3(C)C)c2C1 ZINC000299645663 173173250 /nfs/dbraw/zinc/17/32/50/173173250.db2.gz WUPYAHIBYKTKNI-NSHDSACASA-N 1 2 232.331 1.675 20 0 BDADLO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000363158712 173202316 /nfs/dbraw/zinc/20/23/16/173202316.db2.gz CXGOCUGBFAAOHO-CQSZACIVSA-N 1 2 242.326 1.686 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000053149280 173269198 /nfs/dbraw/zinc/26/91/98/173269198.db2.gz WUIZPQIGZQPPTE-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000053149280 173269200 /nfs/dbraw/zinc/26/92/00/173269200.db2.gz WUIZPQIGZQPPTE-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287014121 173273154 /nfs/dbraw/zinc/27/31/54/173273154.db2.gz QWIUOKOAHDLKLT-LLVKDONJSA-N 1 2 238.356 1.877 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287014121 173273155 /nfs/dbraw/zinc/27/31/55/173273155.db2.gz QWIUOKOAHDLKLT-LLVKDONJSA-N 1 2 238.356 1.877 20 0 BDADLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189798430 173273582 /nfs/dbraw/zinc/27/35/82/173273582.db2.gz QBSNDOJMUNDKOC-SNVBAGLBSA-N 1 2 239.344 1.334 20 0 BDADLO CNC(=O)C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189798430 173273583 /nfs/dbraw/zinc/27/35/83/173273583.db2.gz QBSNDOJMUNDKOC-SNVBAGLBSA-N 1 2 239.344 1.334 20 0 BDADLO CNC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119632318 173274500 /nfs/dbraw/zinc/27/45/00/173274500.db2.gz MYVAICXOUJZSMJ-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CNC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119632318 173274501 /nfs/dbraw/zinc/27/45/01/173274501.db2.gz MYVAICXOUJZSMJ-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CNC(=O)C[NH2+]Cc1c(F)cccc1Cl ZINC000037207225 173276970 /nfs/dbraw/zinc/27/69/70/173276970.db2.gz CMLGPIGTARUILN-UHFFFAOYSA-N 1 2 230.670 1.315 20 0 BDADLO CNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000037224847 173277609 /nfs/dbraw/zinc/27/76/09/173277609.db2.gz QCEMCUUJJJFUDY-ZETCQYMHSA-N 1 2 228.242 1.361 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000042561662 173295770 /nfs/dbraw/zinc/29/57/70/173295770.db2.gz QIVWXQABEDGHIW-RNFRBKRXSA-N 1 2 227.333 1.237 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2C[C@]2(C)C(C)C)n1 ZINC000331818688 173399270 /nfs/dbraw/zinc/39/92/70/173399270.db2.gz YWKAGJHHHZFXDN-GZMMTYOYSA-N 1 2 209.293 1.939 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CCc3ccccc32)n1 ZINC000336408492 173399496 /nfs/dbraw/zinc/39/94/96/173399496.db2.gz BGOAIJWTBIGEAJ-LLVKDONJSA-N 1 2 229.283 1.867 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000050506575 173804389 /nfs/dbraw/zinc/80/43/89/173804389.db2.gz JKIKKBKEXJXQKN-DGCLKSJQSA-N 1 2 249.310 1.527 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc3occc3c2)C1 ZINC000297531671 174112895 /nfs/dbraw/zinc/11/28/95/174112895.db2.gz OBLWJQUDMNDRCN-UHFFFAOYSA-N 1 2 247.294 1.626 20 0 BDADLO COCC1=CC[N@H+](Cc2cnc[nH]2)CC1 ZINC000187614511 174117124 /nfs/dbraw/zinc/11/71/24/174117124.db2.gz WSCSBVZXPWWWJW-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO COCC1=CC[N@@H+](Cc2cnc[nH]2)CC1 ZINC000187614511 174117126 /nfs/dbraw/zinc/11/71/26/174117126.db2.gz WSCSBVZXPWWWJW-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO COCC1CC[NH+](Cc2csnn2)CC1 ZINC000119303651 174120645 /nfs/dbraw/zinc/12/06/45/174120645.db2.gz XBODTTUGMNWIER-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO COCCC[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000272606208 174259500 /nfs/dbraw/zinc/25/95/00/174259500.db2.gz VYYJAPMLNRWBFJ-SNVBAGLBSA-N 1 2 239.319 1.099 20 0 BDADLO COCC[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000330363770 174280431 /nfs/dbraw/zinc/28/04/31/174280431.db2.gz RTXFPEFGQUUFFX-UHFFFAOYSA-N 1 2 213.281 1.271 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000330363770 174280433 /nfs/dbraw/zinc/28/04/33/174280433.db2.gz RTXFPEFGQUUFFX-UHFFFAOYSA-N 1 2 213.281 1.271 20 0 BDADLO COCC[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000361020732 174282122 /nfs/dbraw/zinc/28/21/22/174282122.db2.gz PVIFCALZURRFKC-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000361020732 174282124 /nfs/dbraw/zinc/28/21/24/174282124.db2.gz PVIFCALZURRFKC-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO COCC[N@H+](CC(=O)OC)[C@@H]1CCCSC1 ZINC000355915823 174286520 /nfs/dbraw/zinc/28/65/20/174286520.db2.gz PNASIEBLMNEGJF-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO COCC[N@@H+](CC(=O)OC)[C@@H]1CCCSC1 ZINC000355915823 174286522 /nfs/dbraw/zinc/28/65/22/174286522.db2.gz PNASIEBLMNEGJF-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO COCC[N@H+](CCO)Cc1c(F)cccc1F ZINC000093006228 174292715 /nfs/dbraw/zinc/29/27/15/174292715.db2.gz LAAIRIQMKPQUDN-UHFFFAOYSA-N 1 2 245.269 1.406 20 0 BDADLO COCC[N@@H+](CCO)Cc1c(F)cccc1F ZINC000093006228 174292717 /nfs/dbraw/zinc/29/27/17/174292717.db2.gz LAAIRIQMKPQUDN-UHFFFAOYSA-N 1 2 245.269 1.406 20 0 BDADLO COCC[N@H+](Cc1ccon1)[C@@H]1CCO[C@H]1C ZINC000352357809 174300323 /nfs/dbraw/zinc/30/03/23/174300323.db2.gz POWPYKGKZMIMFZ-CMPLNLGQSA-N 1 2 240.303 1.300 20 0 BDADLO COCC[N@@H+](Cc1ccon1)[C@@H]1CCO[C@H]1C ZINC000352357809 174300326 /nfs/dbraw/zinc/30/03/26/174300326.db2.gz POWPYKGKZMIMFZ-CMPLNLGQSA-N 1 2 240.303 1.300 20 0 BDADLO COCC[N@@H+](Cc1csnn1)CC(C)C ZINC000124115481 174300576 /nfs/dbraw/zinc/30/05/76/174300576.db2.gz SZXZQALDRNGSMB-UHFFFAOYSA-N 1 2 229.349 1.643 20 0 BDADLO COCC[N@H+](Cc1csnn1)CC(C)C ZINC000124115481 174300577 /nfs/dbraw/zinc/30/05/77/174300577.db2.gz SZXZQALDRNGSMB-UHFFFAOYSA-N 1 2 229.349 1.643 20 0 BDADLO COCC[N@H+](Cc1c[nH]cn1)[C@@H]1CCO[C@H]1C ZINC000361332742 174300861 /nfs/dbraw/zinc/30/08/61/174300861.db2.gz VOCIKJVMDTVZJC-CMPLNLGQSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1c[nH]cn1)[C@@H]1CCO[C@H]1C ZINC000361332742 174300862 /nfs/dbraw/zinc/30/08/62/174300862.db2.gz VOCIKJVMDTVZJC-CMPLNLGQSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@H+](Cc1cnc[nH]1)[C@@H]1CCO[C@H]1C ZINC000361332742 174300863 /nfs/dbraw/zinc/30/08/63/174300863.db2.gz VOCIKJVMDTVZJC-CMPLNLGQSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cnc[nH]1)[C@@H]1CCO[C@H]1C ZINC000361332742 174300864 /nfs/dbraw/zinc/30/08/64/174300864.db2.gz VOCIKJVMDTVZJC-CMPLNLGQSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+]1CCC=C(Br)C1 ZINC000281680749 174305236 /nfs/dbraw/zinc/30/52/36/174305236.db2.gz QVFOKXHCRKAELD-UHFFFAOYSA-N 1 2 220.110 1.617 20 0 BDADLO COCC[N@H+]1CCC=C(Br)C1 ZINC000281680749 174305237 /nfs/dbraw/zinc/30/52/37/174305237.db2.gz QVFOKXHCRKAELD-UHFFFAOYSA-N 1 2 220.110 1.617 20 0 BDADLO COCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846061 174311322 /nfs/dbraw/zinc/31/13/22/174311322.db2.gz CXVWAANCUZUNGV-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846061 174311323 /nfs/dbraw/zinc/31/13/23/174311323.db2.gz CXVWAANCUZUNGV-ZDUSSCGKSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[NH2+]Cc1nc(C2CCCCC2)no1 ZINC000111347593 174336959 /nfs/dbraw/zinc/33/69/59/174336959.db2.gz WUPJMVZQUHWYGZ-UHFFFAOYSA-N 1 2 239.319 1.853 20 0 BDADLO COCCOCC[N@H+](C)Cc1ncc(C)o1 ZINC000288739547 174352677 /nfs/dbraw/zinc/35/26/77/174352677.db2.gz FNKHUZHWGCBJRX-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO COCCOCC[N@@H+](C)Cc1ncc(C)o1 ZINC000288739547 174352679 /nfs/dbraw/zinc/35/26/79/174352679.db2.gz FNKHUZHWGCBJRX-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO COCCO[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000189743560 174365161 /nfs/dbraw/zinc/36/51/61/174365161.db2.gz CRFGQAMBOMYYEZ-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCCO[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000189743560 174365163 /nfs/dbraw/zinc/36/51/63/174365163.db2.gz CRFGQAMBOMYYEZ-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCCSCc1c[nH+]ccc1OC ZINC000286344357 174376789 /nfs/dbraw/zinc/37/67/89/174376789.db2.gz BFJPYNRNCJUUOV-UHFFFAOYSA-N 1 2 213.302 1.970 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000336774997 174748415 /nfs/dbraw/zinc/74/84/15/174748415.db2.gz XTJSLTAHPHFNSD-GHMZBOCLSA-N 1 2 221.304 1.434 20 0 BDADLO COc1cc(N[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000090790361 175003777 /nfs/dbraw/zinc/00/37/77/175003777.db2.gz QUHDCDORGXLQQO-VIFPVBQESA-N 1 2 233.275 1.182 20 0 BDADLO COc1ccc(C(=O)Nc2cc[nH+]c(C)c2)nc1 ZINC000359919809 175057993 /nfs/dbraw/zinc/05/79/93/175057993.db2.gz WQOLGEJWDVFLAH-UHFFFAOYSA-N 1 2 243.266 1.468 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295058890 175098262 /nfs/dbraw/zinc/09/82/62/175098262.db2.gz QEHMDCNFBHBIRA-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295058890 175098264 /nfs/dbraw/zinc/09/82/64/175098264.db2.gz QEHMDCNFBHBIRA-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1C ZINC000366546613 175101174 /nfs/dbraw/zinc/10/11/74/175101174.db2.gz VOHBENZBGMMVGT-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1C ZINC000366546613 175101177 /nfs/dbraw/zinc/10/11/77/175101177.db2.gz VOHBENZBGMMVGT-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)nn1 ZINC000283180566 175101226 /nfs/dbraw/zinc/10/12/26/175101226.db2.gz QBVJQCFCHNXCLQ-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)nn1 ZINC000283180566 175101228 /nfs/dbraw/zinc/10/12/28/175101228.db2.gz QBVJQCFCHNXCLQ-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000267973699 175101837 /nfs/dbraw/zinc/10/18/37/175101837.db2.gz WFFSOYGCKSVOFS-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000267973699 175101838 /nfs/dbraw/zinc/10/18/38/175101838.db2.gz WFFSOYGCKSVOFS-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000155960761 175102008 /nfs/dbraw/zinc/10/20/08/175102008.db2.gz MSZKMPJFFWKNFN-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000155960761 175102009 /nfs/dbraw/zinc/10/20/09/175102009.db2.gz MSZKMPJFFWKNFN-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(NCc2[nH+]cc(C)n2C)cn1 ZINC000341269725 175153419 /nfs/dbraw/zinc/15/34/19/175153419.db2.gz JULQAPJPUMHTAO-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2cnn[nH]2)cc1 ZINC000296325858 175177006 /nfs/dbraw/zinc/17/70/06/175177006.db2.gz OSNPPZBMPGKROD-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000296325858 175177007 /nfs/dbraw/zinc/17/70/07/175177007.db2.gz OSNPPZBMPGKROD-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000296325858 175177008 /nfs/dbraw/zinc/17/70/08/175177008.db2.gz OSNPPZBMPGKROD-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1cc[nH+]c(CN2CCOC[C@@H]2C)c1 ZINC000106933499 175358591 /nfs/dbraw/zinc/35/85/91/175358591.db2.gz ORCANVGQJNFJKS-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cc[nH+]c(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000106859313 175360405 /nfs/dbraw/zinc/36/04/05/175360405.db2.gz QIRUUYMJAVMJJN-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000106859313 175360407 /nfs/dbraw/zinc/36/04/07/175360407.db2.gz QIRUUYMJAVMJJN-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C(C)(C)OC ZINC000294513681 175370281 /nfs/dbraw/zinc/37/02/81/175370281.db2.gz LBOCOFWSOVREKU-UHFFFAOYSA-N 1 2 238.287 1.131 20 0 BDADLO COc1ccncc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000367882626 175370650 /nfs/dbraw/zinc/37/06/50/175370650.db2.gz ZFXAFJAIXBTICO-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000367882626 175370653 /nfs/dbraw/zinc/37/06/53/175370653.db2.gz ZFXAFJAIXBTICO-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[NH2+]Cc1ccc(CO)o1 ZINC000292807931 175371648 /nfs/dbraw/zinc/37/16/48/175371648.db2.gz WBUSWSMJAKCBPJ-UHFFFAOYSA-N 1 2 248.282 1.465 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1CCCO1 ZINC000287226955 175373461 /nfs/dbraw/zinc/37/34/61/175373461.db2.gz PAABYQLVSGGEBD-LLVKDONJSA-N 1 2 237.255 1.312 20 0 BDADLO COc1cc[nH+]cc1Cn1ccc(C)cc1=O ZINC000310379784 175373874 /nfs/dbraw/zinc/37/38/74/175373874.db2.gz PGGRFICJBQNNTQ-UHFFFAOYSA-N 1 2 230.267 1.609 20 0 BDADLO COc1cc[nH+]cc1CNc1nc(C)ns1 ZINC000292695042 175373897 /nfs/dbraw/zinc/37/38/97/175373897.db2.gz JPWJJMOLDCQKKP-UHFFFAOYSA-N 1 2 236.300 1.862 20 0 BDADLO COc1ccncc1C[NH2+][C@H](C)c1nccn1C ZINC000340408814 175374064 /nfs/dbraw/zinc/37/40/64/175374064.db2.gz RFKKDUQPMLRRBT-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CSC(F)F ZINC000294534269 175374445 /nfs/dbraw/zinc/37/44/45/175374445.db2.gz LOCSYGNQZZPQDX-UHFFFAOYSA-N 1 2 248.254 1.985 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1CCOCC1 ZINC000131420914 175375207 /nfs/dbraw/zinc/37/52/07/175375207.db2.gz LIXXNDWAZRFFJU-UHFFFAOYSA-N 1 2 236.271 1.455 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000330989106 175375610 /nfs/dbraw/zinc/37/56/10/175375610.db2.gz GWTDCBYMTJKKFM-BDAKNGLRSA-N 1 2 236.271 1.454 20 0 BDADLO CS[C@@H](CO)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000078296310 175547250 /nfs/dbraw/zinc/54/72/50/175547250.db2.gz FHIDNEUYWLOPBG-CBAPKCEASA-N 1 2 227.333 1.309 20 0 BDADLO CS[C@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290944490 175557519 /nfs/dbraw/zinc/55/75/19/175557519.db2.gz OXLBZCVQDVPHPU-SECBINFHSA-N 1 2 239.344 1.367 20 0 BDADLO CS[C@H](C)CCC(=O)NCc1[nH]c[nH+]c1C ZINC000358436572 175559999 /nfs/dbraw/zinc/55/99/99/175559999.db2.gz ITMQYKBEEAMAMW-MRVPVSSYSA-N 1 2 241.360 1.866 20 0 BDADLO CSc1cncc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000357327740 175586345 /nfs/dbraw/zinc/58/63/45/175586345.db2.gz UVJRUUZCKMLIOH-VIFPVBQESA-N 1 2 249.343 1.896 20 0 BDADLO c1n[nH]c2c1C[N@H+](CC1=CCCOC1)CCC2 ZINC000668840439 487631297 /nfs/dbraw/zinc/63/12/97/487631297.db2.gz FGAPSYMYIYJKOY-UHFFFAOYSA-N 1 2 233.315 1.505 20 0 BDADLO c1n[nH]c2c1C[N@@H+](CC1=CCCOC1)CCC2 ZINC000668840439 487631304 /nfs/dbraw/zinc/63/13/04/487631304.db2.gz FGAPSYMYIYJKOY-UHFFFAOYSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@@H]([NH2+]CC(=O)N(C)C)c1c(F)cncc1F ZINC000285885781 175862968 /nfs/dbraw/zinc/86/29/68/175862968.db2.gz YWHFMAYVYZZGKW-SSDOTTSWSA-N 1 2 243.257 1.099 20 0 BDADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccco1 ZINC000093420119 176011244 /nfs/dbraw/zinc/01/12/44/176011244.db2.gz KZMHJRXXJXJPMJ-ZJUUUORDSA-N 1 2 245.344 1.533 20 0 BDADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccco1 ZINC000093420119 176011245 /nfs/dbraw/zinc/01/12/45/176011245.db2.gz KZMHJRXXJXJPMJ-ZJUUUORDSA-N 1 2 245.344 1.533 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](O)C1 ZINC000195663689 176037826 /nfs/dbraw/zinc/03/78/26/176037826.db2.gz KSHSBIZCRJSQGL-WCBMZHEXSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](O)C1 ZINC000195663689 176037828 /nfs/dbraw/zinc/03/78/28/176037828.db2.gz KSHSBIZCRJSQGL-WCBMZHEXSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000336266736 176040622 /nfs/dbraw/zinc/04/06/22/176040622.db2.gz JVMVQGIQGXAVIP-ONGXEEELSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCC[C@](C)(F)C1 ZINC000336266736 176040624 /nfs/dbraw/zinc/04/06/24/176040624.db2.gz JVMVQGIQGXAVIP-ONGXEEELSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@@H](c1noc(Cn2cc[nH+]c2)n1)C1CC1 ZINC000277932422 176041738 /nfs/dbraw/zinc/04/17/38/176041738.db2.gz NMRLEVIBKYNOGC-MRVPVSSYSA-N 1 2 218.260 1.828 20 0 BDADLO CCC(=O)N[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000674837279 487632622 /nfs/dbraw/zinc/63/26/22/487632622.db2.gz XQESJEOMMDYAQF-SNVBAGLBSA-N 1 2 249.314 1.552 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000276567177 176092157 /nfs/dbraw/zinc/09/21/57/176092157.db2.gz KTTXWVYMIAGGRA-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1C ZINC000267816132 176104942 /nfs/dbraw/zinc/10/49/42/176104942.db2.gz ZWKCXCYVXWPEBE-SECBINFHSA-N 1 2 222.292 1.114 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376954188 176106574 /nfs/dbraw/zinc/10/65/74/176106574.db2.gz JDTLJWSVWXDWDY-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000299633890 176141388 /nfs/dbraw/zinc/14/13/88/176141388.db2.gz KUWRIUDPODOYMK-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000336586574 176178307 /nfs/dbraw/zinc/17/83/07/176178307.db2.gz HEPISNSMIHSQTN-KOLCDFICSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000336586574 176178309 /nfs/dbraw/zinc/17/83/09/176178309.db2.gz HEPISNSMIHSQTN-KOLCDFICSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373824206 176191511 /nfs/dbraw/zinc/19/15/11/176191511.db2.gz QARMVVHTMKNLGR-MXWKQRLJSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)NCc1c[nH+]cn1C ZINC000336397037 176198638 /nfs/dbraw/zinc/19/86/38/176198638.db2.gz UWCULLIWQYFGCX-NXEZZACHSA-N 1 2 236.319 1.503 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H]2c2ncon2)O1 ZINC000365057393 176203981 /nfs/dbraw/zinc/20/39/81/176203981.db2.gz ZNPSQKYQBIFHNY-VWYCJHECSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H]2c2ncon2)O1 ZINC000365057393 176203982 /nfs/dbraw/zinc/20/39/82/176203982.db2.gz ZNPSQKYQBIFHNY-VWYCJHECSA-N 1 2 237.303 1.774 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC000337938680 176207563 /nfs/dbraw/zinc/20/75/63/176207563.db2.gz UNFQXFGDHARCFI-NXEZZACHSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC(=O)N1 ZINC000295076032 176304862 /nfs/dbraw/zinc/30/48/62/176304862.db2.gz RLTIXTJNBIHRPY-LLVKDONJSA-N 1 2 244.338 1.496 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC(=O)N1 ZINC000295076032 176304863 /nfs/dbraw/zinc/30/48/63/176304863.db2.gz RLTIXTJNBIHRPY-LLVKDONJSA-N 1 2 244.338 1.496 20 0 BDADLO C[C@H]1C[N@H+](Cc2nsc(N(C)C)n2)C[C@H]1C ZINC000336696887 176313049 /nfs/dbraw/zinc/31/30/49/176313049.db2.gz HOJLVARTSCYAFB-DTORHVGOSA-N 1 2 240.376 1.692 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nsc(N(C)C)n2)C[C@H]1C ZINC000336696887 176313051 /nfs/dbraw/zinc/31/30/51/176313051.db2.gz HOJLVARTSCYAFB-DTORHVGOSA-N 1 2 240.376 1.692 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)CC[S@](=O)C1 ZINC000278187596 176320337 /nfs/dbraw/zinc/32/03/37/176320337.db2.gz PZRQQXFKXISOPJ-BMIGLBTASA-N 1 2 224.329 1.286 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC1CC1 ZINC000359949709 176336332 /nfs/dbraw/zinc/33/63/32/176336332.db2.gz NMYWCGJMEHBXTJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCC1CC1 ZINC000359949709 176336334 /nfs/dbraw/zinc/33/63/34/176336334.db2.gz NMYWCGJMEHBXTJ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccncc1F ZINC000336226247 176347149 /nfs/dbraw/zinc/34/71/49/176347149.db2.gz PDZIOOBHSRGWQK-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)c2nccn21 ZINC000345353964 176377491 /nfs/dbraw/zinc/37/74/91/176377491.db2.gz RLIWHUCAEYLWNC-MWLCHTKSSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C)c2nccn21 ZINC000345341153 176377553 /nfs/dbraw/zinc/37/75/53/176377553.db2.gz CNJVNWBPOYEIEG-MWLCHTKSSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121288866 176590143 /nfs/dbraw/zinc/59/01/43/176590143.db2.gz PHMPICPKEAHUOB-BXUZGUMPSA-N 1 2 248.326 1.108 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121288866 176590144 /nfs/dbraw/zinc/59/01/44/176590144.db2.gz PHMPICPKEAHUOB-BXUZGUMPSA-N 1 2 248.326 1.108 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000119271870 177034161 /nfs/dbraw/zinc/03/41/61/177034161.db2.gz SRKVSDFFZPUQCU-SNVBAGLBSA-N 1 2 236.290 1.661 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCN(C)C(=O)C1 ZINC000119271870 177034163 /nfs/dbraw/zinc/03/41/63/177034163.db2.gz SRKVSDFFZPUQCU-SNVBAGLBSA-N 1 2 236.290 1.661 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cnnn1C ZINC000093315283 177037409 /nfs/dbraw/zinc/03/74/09/177037409.db2.gz OTRKSNDLZMYBMA-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cnnn1C ZINC000093315283 177037410 /nfs/dbraw/zinc/03/74/10/177037410.db2.gz OTRKSNDLZMYBMA-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1cccs1)[N@H+](C)Cc1nnnn1C ZINC000355905706 177048806 /nfs/dbraw/zinc/04/88/06/177048806.db2.gz HJEXOGITPMHAJC-MRVPVSSYSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@H](c1cccs1)[N@@H+](C)Cc1nnnn1C ZINC000355905706 177048808 /nfs/dbraw/zinc/04/88/08/177048808.db2.gz HJEXOGITPMHAJC-MRVPVSSYSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cnc[nH]1 ZINC000183710094 177050273 /nfs/dbraw/zinc/05/02/73/177050273.db2.gz BPBQAEMAICPLGL-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000183710094 177050274 /nfs/dbraw/zinc/05/02/74/177050274.db2.gz BPBQAEMAICPLGL-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1noc([C@H]2C[N@H+](C)CCO2)n1)C1CC1 ZINC000333637753 177056371 /nfs/dbraw/zinc/05/63/71/177056371.db2.gz BREPKFKHYOATMN-WCBMZHEXSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@H](c1noc([C@H]2C[N@@H+](C)CCO2)n1)C1CC1 ZINC000333637753 177056373 /nfs/dbraw/zinc/05/63/73/177056373.db2.gz BREPKFKHYOATMN-WCBMZHEXSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@H]1CC=CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000341174156 177068760 /nfs/dbraw/zinc/06/87/60/177068760.db2.gz PACBVKSRBPZVHS-NWDGAFQWSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000299617293 177072162 /nfs/dbraw/zinc/07/21/62/177072162.db2.gz IHXMQVNPYZQQMG-NSHDSACASA-N 1 2 221.304 1.674 20 0 BDADLO C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000125287139 177091617 /nfs/dbraw/zinc/09/16/17/177091617.db2.gz RCMXIRYFIRTRMS-LBPRGKRZSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000174036394 177106627 /nfs/dbraw/zinc/10/66/27/177106627.db2.gz CTYNJJCPCINUAK-NSHDSACASA-N 1 2 236.319 1.467 20 0 BDADLO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336777722 177130012 /nfs/dbraw/zinc/13/00/12/177130012.db2.gz JIMZVJWXLZJAQF-YUMQZZPRSA-N 1 2 224.308 1.425 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000357687116 177139768 /nfs/dbraw/zinc/13/97/68/177139768.db2.gz JPHAORHTOAHYHM-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1nncs1 ZINC000177873967 177158781 /nfs/dbraw/zinc/15/87/81/177158781.db2.gz MFFMFIYQFZFELU-JGVFFNPUSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1nncs1 ZINC000177873967 177158783 /nfs/dbraw/zinc/15/87/83/177158783.db2.gz MFFMFIYQFZFELU-JGVFFNPUSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@H]1CC[N@H+](C[C@H]2COCCO2)CC1(F)F ZINC000336264168 177162711 /nfs/dbraw/zinc/16/27/11/177162711.db2.gz UEKQSXRWEXOJIC-UWVGGRQHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1CC[N@@H+](C[C@H]2COCCO2)CC1(F)F ZINC000336264168 177162712 /nfs/dbraw/zinc/16/27/12/177162712.db2.gz UEKQSXRWEXOJIC-UWVGGRQHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@@H]1CO ZINC000189714485 177172152 /nfs/dbraw/zinc/17/21/52/177172152.db2.gz DXVNDNPPYFRQAP-JOYOIKCWSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000294014900 177219204 /nfs/dbraw/zinc/21/92/04/177219204.db2.gz IVOLPXQIUPHRHI-WDEREUQCSA-N 1 2 243.310 1.744 20 0 BDADLO C[C@H]1C[N@H+](C/C=C/c2ccccc2)CC(=O)N1 ZINC000295127784 177241197 /nfs/dbraw/zinc/24/11/97/177241197.db2.gz YCHWUZXVSUATHS-ZCRIDZFUSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC(=O)N1 ZINC000295127784 177241198 /nfs/dbraw/zinc/24/11/98/177241198.db2.gz YCHWUZXVSUATHS-ZCRIDZFUSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)[C@H]1C ZINC000339580973 177242282 /nfs/dbraw/zinc/24/22/82/177242282.db2.gz MQLOMQRKIONBNO-YUMQZZPRSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)[C@H]1C ZINC000339580973 177242284 /nfs/dbraw/zinc/24/22/84/177242284.db2.gz MQLOMQRKIONBNO-YUMQZZPRSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(C)(C)C)C[C@H](C)[S@@]1=O ZINC000362067393 177252314 /nfs/dbraw/zinc/25/23/14/177252314.db2.gz QNSWSNGUFRYDLE-CULMDFNYSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(C)(C)C)C[C@H](C)[S@@]1=O ZINC000362067393 177252315 /nfs/dbraw/zinc/25/23/15/177252315.db2.gz QNSWSNGUFRYDLE-CULMDFNYSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H](C)N1C ZINC000141914550 177261820 /nfs/dbraw/zinc/26/18/20/177261820.db2.gz SPJAWYPURPWVTR-PHIMTYICSA-N 1 2 238.331 1.296 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H](C)N1C ZINC000141914550 177261821 /nfs/dbraw/zinc/26/18/21/177261821.db2.gz SPJAWYPURPWVTR-PHIMTYICSA-N 1 2 238.331 1.296 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(F)c2)CC(=O)N1 ZINC000295076014 177265077 /nfs/dbraw/zinc/26/50/77/177265077.db2.gz RLRQHXWZGBNNNF-VIFPVBQESA-N 1 2 222.263 1.146 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(F)c2)CC(=O)N1 ZINC000295076014 177265078 /nfs/dbraw/zinc/26/50/78/177265078.db2.gz RLRQHXWZGBNNNF-VIFPVBQESA-N 1 2 222.263 1.146 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccn2C)CC[S@@](=O)C1 ZINC000277373594 177266291 /nfs/dbraw/zinc/26/62/91/177266291.db2.gz FWVRKITZXQDBHU-MEDUHNTESA-N 1 2 240.372 1.226 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccn2C)CC[S@@](=O)C1 ZINC000277373594 177266293 /nfs/dbraw/zinc/26/62/93/177266293.db2.gz FWVRKITZXQDBHU-MEDUHNTESA-N 1 2 240.372 1.226 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccco2)CC[S@@](=O)C1 ZINC000277567836 177268536 /nfs/dbraw/zinc/26/85/36/177268536.db2.gz SJSFQXUVBQDCMC-ZUZCIYMTSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccco2)CC[S@@](=O)C1 ZINC000277567836 177268537 /nfs/dbraw/zinc/26/85/37/177268537.db2.gz SJSFQXUVBQDCMC-ZUZCIYMTSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc2n1CCCC2 ZINC000336511532 177272044 /nfs/dbraw/zinc/27/20/44/177272044.db2.gz ADTDUXXBCYYJNM-VHSXEESVSA-N 1 2 220.320 1.455 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc2n1CCCC2 ZINC000336511532 177272047 /nfs/dbraw/zinc/27/20/47/177272047.db2.gz ADTDUXXBCYYJNM-VHSXEESVSA-N 1 2 220.320 1.455 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNc1ccccn1 ZINC000309777004 177292466 /nfs/dbraw/zinc/29/24/66/177292466.db2.gz LWSPCBWDKYPCPU-NSHDSACASA-N 1 2 221.304 1.214 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNc1ccccn1 ZINC000309777004 177292468 /nfs/dbraw/zinc/29/24/68/177292468.db2.gz LWSPCBWDKYPCPU-NSHDSACASA-N 1 2 221.304 1.214 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1cnns1 ZINC000295124576 177304668 /nfs/dbraw/zinc/30/46/68/177304668.db2.gz XHVVQBALFGZDJS-ZETCQYMHSA-N 1 2 215.347 1.475 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1cnns1 ZINC000295124576 177304669 /nfs/dbraw/zinc/30/46/69/177304669.db2.gz XHVVQBALFGZDJS-ZETCQYMHSA-N 1 2 215.347 1.475 20 0 BDADLO C[C@H]1C[C@@H](NCC(F)(F)CO)c2[nH+]ccn21 ZINC000293838097 177331183 /nfs/dbraw/zinc/33/11/83/177331183.db2.gz BTNMQYKZQOQICY-JGVFFNPUSA-N 1 2 231.246 1.106 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CCO1 ZINC000219832539 177334668 /nfs/dbraw/zinc/33/46/68/177334668.db2.gz MGJQCIJUYCSLDO-IUCAKERBSA-N 1 2 247.302 1.343 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[C@@H]1C ZINC000352507289 177342752 /nfs/dbraw/zinc/34/27/52/177342752.db2.gz ORVTZXRPNONEOW-HBNTYKKESA-N 1 2 221.304 1.434 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CCO1 ZINC000219832654 177372235 /nfs/dbraw/zinc/37/22/35/177372235.db2.gz MGJQCIJUYCSLDO-DTWKUNHWSA-N 1 2 247.302 1.343 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccc3nccn32)[C@@H]1C ZINC000180257054 177399488 /nfs/dbraw/zinc/39/94/88/177399488.db2.gz VWIPABBANOAIFS-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccc3nccn32)[C@@H]1C ZINC000180257054 177399490 /nfs/dbraw/zinc/39/94/90/177399490.db2.gz VWIPABBANOAIFS-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCCN(Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000180257054 177399492 /nfs/dbraw/zinc/39/94/92/177399492.db2.gz VWIPABBANOAIFS-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC(F)(F)F ZINC000267279641 177530170 /nfs/dbraw/zinc/53/01/70/177530170.db2.gz XEIODFFAABAORK-UHFFFAOYSA-N 1 2 235.209 1.677 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC2(CC2)C1 ZINC000335491166 487638835 /nfs/dbraw/zinc/63/88/35/487638835.db2.gz LCWDEAXTOSCQTR-SNVBAGLBSA-N 1 2 231.299 1.068 20 0 BDADLO COc1cc(C)nc(NCCc2cn(C)c[nH+]2)n1 ZINC000313459341 487641855 /nfs/dbraw/zinc/64/18/55/487641855.db2.gz KOXCTCXHRARDJQ-UHFFFAOYSA-N 1 2 247.302 1.182 20 0 BDADLO COCc1cnc(C[N@@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000471803151 225081517 /nfs/dbraw/zinc/08/15/17/225081517.db2.gz FSTHJYWDUVCPAL-RKDXNWHRSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1cnc(C[N@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000471803151 225081522 /nfs/dbraw/zinc/08/15/22/225081522.db2.gz FSTHJYWDUVCPAL-RKDXNWHRSA-N 1 2 242.344 1.245 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000488360307 225387994 /nfs/dbraw/zinc/38/79/94/225387994.db2.gz BAHMGANLBAUJAP-MWLCHTKSSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488360307 225387995 /nfs/dbraw/zinc/38/79/95/225387995.db2.gz BAHMGANLBAUJAP-MWLCHTKSSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)CC2CC2)[nH+]1 ZINC000488382051 225389637 /nfs/dbraw/zinc/38/96/37/225389637.db2.gz UWDUEMWGLIGRDZ-MRVPVSSYSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@H](C)CC2CC2)nc(N(C)C)[nH+]1 ZINC000488382051 225389638 /nfs/dbraw/zinc/38/96/38/225389638.db2.gz UWDUEMWGLIGRDZ-MRVPVSSYSA-N 1 2 235.335 1.268 20 0 BDADLO COCCSCCC[N@H+](C)CC(F)F ZINC000487928280 225332754 /nfs/dbraw/zinc/33/27/54/225332754.db2.gz IMEDSJBKAUGYLS-UHFFFAOYSA-N 1 2 227.320 1.953 20 0 BDADLO COCCSCCC[N@@H+](C)CC(F)F ZINC000487928280 225332756 /nfs/dbraw/zinc/33/27/56/225332756.db2.gz IMEDSJBKAUGYLS-UHFFFAOYSA-N 1 2 227.320 1.953 20 0 BDADLO O=C(/C=C/C1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492689143 226038500 /nfs/dbraw/zinc/03/85/00/226038500.db2.gz MBQCWXQCSXPPPA-UFFNRZRYSA-N 1 2 231.299 1.280 20 0 BDADLO COCCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000557046940 322933675 /nfs/dbraw/zinc/93/36/75/322933675.db2.gz AQKPLRMNVYNLIN-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763868 226047731 /nfs/dbraw/zinc/04/77/31/226047731.db2.gz JPKACWGHGQDCBD-GPCGZLNTSA-N 1 2 205.261 1.432 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763870 226048048 /nfs/dbraw/zinc/04/80/48/226048048.db2.gz JPKACWGHGQDCBD-UREXNXCXSA-N 1 2 205.261 1.432 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000493012511 226103787 /nfs/dbraw/zinc/10/37/87/226103787.db2.gz AMGSTDUZEKPMIJ-AVALRIAPSA-N 1 2 229.230 1.583 20 0 BDADLO Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492853964 226066829 /nfs/dbraw/zinc/06/68/29/226066829.db2.gz DABAUXLYJIIWLA-WAYWQWQTSA-N 1 2 228.255 1.765 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccsc1 ZINC000492855736 226067216 /nfs/dbraw/zinc/06/72/16/226067216.db2.gz GXVYTYINYFMJQL-UPHRSURJSA-N 1 2 247.323 1.843 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccccn1 ZINC000492866929 226070136 /nfs/dbraw/zinc/07/01/36/226070136.db2.gz QUZRFUQKPGBTBH-SNAWJCMRSA-N 1 2 242.282 1.177 20 0 BDADLO C[C@]1(CO)CCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492865061 226070432 /nfs/dbraw/zinc/07/04/32/226070432.db2.gz OBTMPFGHQYAPAW-SOHMCZBRSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1nccs1 ZINC000492862450 226070926 /nfs/dbraw/zinc/07/09/26/226070926.db2.gz LBXURGXGXPKVKT-OWOJBTEDSA-N 1 2 234.284 1.196 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCc1ccccc1 ZINC000492867012 226071025 /nfs/dbraw/zinc/07/10/25/226071025.db2.gz WWHPIAOJKIEJNL-VOTSOKGWSA-N 1 2 243.266 1.671 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(CCO)CCC1 ZINC000492900239 226080149 /nfs/dbraw/zinc/08/01/49/226080149.db2.gz NQYMIFRQYUMVQB-NSCUHMNNSA-N 1 2 249.314 1.092 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(C(F)F)CC1 ZINC000492904070 226080884 /nfs/dbraw/zinc/08/08/84/226080884.db2.gz VQKCAUKTAIVYGV-UPHRSURJSA-N 1 2 227.214 1.337 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(O)c1 ZINC000492904649 226081131 /nfs/dbraw/zinc/08/11/31/226081131.db2.gz XIRRHPCUAGGMHV-SNAWJCMRSA-N 1 2 243.266 1.445 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000493290743 226176874 /nfs/dbraw/zinc/17/68/74/226176874.db2.gz AARSPLKJPJVZEM-GKQMSVHHSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493293387 226177881 /nfs/dbraw/zinc/17/78/81/226177881.db2.gz URORRGDDBWLLHT-HIHHVFROSA-N 1 2 219.288 1.680 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC(C1CC1)C1CC1 ZINC000493047417 226111168 /nfs/dbraw/zinc/11/11/68/226111168.db2.gz LSPYYJNRWVZZOE-WAYWQWQTSA-N 1 2 231.299 1.728 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1C[C@@H]1C(F)F ZINC000493085482 226121588 /nfs/dbraw/zinc/12/15/88/226121588.db2.gz MSYRIYMOHDODHK-DZZRMOGLSA-N 1 2 227.214 1.193 20 0 BDADLO CO[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493193542 226150584 /nfs/dbraw/zinc/15/05/84/226150584.db2.gz SSKBQXGVJAQLNE-MJKAUQOVSA-N 1 2 249.314 1.306 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCOC2(CCC2)C1 ZINC000493236209 226162972 /nfs/dbraw/zinc/16/29/72/226162972.db2.gz RPPRUSKLMMQQLZ-IHWYPQMZSA-N 1 2 247.298 1.204 20 0 BDADLO COC1([C@@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493255143 226168034 /nfs/dbraw/zinc/16/80/34/226168034.db2.gz MZFZKJKKNLWXHS-UMCURTJPSA-N 1 2 249.314 1.497 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493263381 226169892 /nfs/dbraw/zinc/16/98/92/226169892.db2.gz DVGXLVCTHHBVRR-VMZVSEJASA-N 1 2 233.315 1.926 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCC1CC1 ZINC000493375666 226198723 /nfs/dbraw/zinc/19/87/23/226198723.db2.gz ZIQKQTUNVMCJEA-AATRIKPKSA-N 1 2 219.288 1.729 20 0 BDADLO COC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(C)C ZINC000493452966 226220649 /nfs/dbraw/zinc/22/06/49/226220649.db2.gz LKBHSUWLZXRGJH-UMCURTJPSA-N 1 2 237.303 1.210 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCCCO)C1CC1 ZINC000493482258 226228391 /nfs/dbraw/zinc/22/83/91/226228391.db2.gz NBYSUZVWYXRVDU-ZZXKWVIFSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCCOCC1 ZINC000493611285 226245810 /nfs/dbraw/zinc/24/58/10/226245810.db2.gz LUVUJPHORJOTQW-HMDXOVGESA-N 1 2 235.287 1.108 20 0 BDADLO C[C@]1(F)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493715949 226250774 /nfs/dbraw/zinc/25/07/74/226250774.db2.gz BJIWRCYHBWCNJM-VUDBWIFFSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CF)CCC1 ZINC000493836750 226256675 /nfs/dbraw/zinc/25/66/75/226256675.db2.gz NGMGUYZPCUTWHK-IHWYPQMZSA-N 1 2 223.251 1.431 20 0 BDADLO Cc1nc(NCCC[C@H]2CCOC2)cc[nH+]1 ZINC000402286656 226369619 /nfs/dbraw/zinc/36/96/19/226369619.db2.gz MAJRFYBFADUKDD-NSHDSACASA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000678046478 487652656 /nfs/dbraw/zinc/65/26/56/487652656.db2.gz XEAOZEGHTPUNDG-WDEREUQCSA-N 1 2 225.288 1.281 20 0 BDADLO C[C@H](CO)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000678046478 487652659 /nfs/dbraw/zinc/65/26/59/487652659.db2.gz XEAOZEGHTPUNDG-WDEREUQCSA-N 1 2 225.288 1.281 20 0 BDADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n1 ZINC000557448738 322937484 /nfs/dbraw/zinc/93/74/84/322937484.db2.gz LGDHVIUMVQESHY-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO CCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000102797118 487668418 /nfs/dbraw/zinc/66/84/18/487668418.db2.gz NZEAWWCVKTXCDG-UHFFFAOYSA-N 1 2 231.299 1.711 20 0 BDADLO OCCC1C[NH+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000459591309 229143649 /nfs/dbraw/zinc/14/36/49/229143649.db2.gz LCYVGLWZARGLPN-UHFFFAOYSA-N 1 2 245.244 1.918 20 0 BDADLO CCn1c(C)nnc1SCc1cc[nH+]c(N)c1 ZINC000195500998 229168369 /nfs/dbraw/zinc/16/83/69/229168369.db2.gz WSCKHLISUNGMBB-UHFFFAOYSA-N 1 2 249.343 1.876 20 0 BDADLO CC(C)CC[N@H+](C)Cc1nnnn1C(C)(C)C ZINC000680961177 487681602 /nfs/dbraw/zinc/68/16/02/487681602.db2.gz GSHMMKAOXRJCEU-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO CC(C)CC[N@@H+](C)Cc1nnnn1C(C)(C)C ZINC000680961177 487681605 /nfs/dbraw/zinc/68/16/05/487681605.db2.gz GSHMMKAOXRJCEU-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO CC(=O)C(C)(C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000676530674 487683037 /nfs/dbraw/zinc/68/30/37/487683037.db2.gz YDKHISCTDQCRHZ-UHFFFAOYSA-N 1 2 237.303 1.421 20 0 BDADLO CC(=O)C(C)(C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000676530674 487683041 /nfs/dbraw/zinc/68/30/41/487683041.db2.gz YDKHISCTDQCRHZ-UHFFFAOYSA-N 1 2 237.303 1.421 20 0 BDADLO Cc1nc(CN(C)Cc2[nH]cc[nH+]2)c(C)o1 ZINC000660142154 487685253 /nfs/dbraw/zinc/68/52/53/487685253.db2.gz PEXMXPASQYTNFP-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO O=C1N=NC2C[N@@H+]([C@@H]3C=CCCCCC3)CCN12 ZINC000555426760 487693048 /nfs/dbraw/zinc/69/30/48/487693048.db2.gz XQICFARUPXKDKN-LLVKDONJSA-N 1 2 248.330 1.688 20 0 BDADLO O=C1N=NC2C[N@H+]([C@@H]3C=CCCCCC3)CCN12 ZINC000555426760 487693050 /nfs/dbraw/zinc/69/30/50/487693050.db2.gz XQICFARUPXKDKN-LLVKDONJSA-N 1 2 248.330 1.688 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccc(O)c(F)c1 ZINC000681018806 487695870 /nfs/dbraw/zinc/69/58/70/487695870.db2.gz ZGFMYEMGZQXTNC-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@@]1(C)C(C)C)C(=O)OC ZINC000397412543 262925762 /nfs/dbraw/zinc/92/57/62/262925762.db2.gz YISSZDJXIAVCOH-NHCYSSNCSA-N 1 2 213.321 1.962 20 0 BDADLO C[C@@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3C)O1 ZINC000397904012 262940017 /nfs/dbraw/zinc/94/00/17/262940017.db2.gz UUZPWHVJFJNFMG-RKDXNWHRSA-N 1 2 247.302 1.343 20 0 BDADLO Cc1cocc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000528848672 262977671 /nfs/dbraw/zinc/97/76/71/262977671.db2.gz CSKSQVLZTSGZED-UHFFFAOYSA-N 1 2 247.298 1.947 20 0 BDADLO COCCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671709298 487702311 /nfs/dbraw/zinc/70/23/11/487702311.db2.gz ARZGAINXPJXQSG-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COCCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671709298 487702316 /nfs/dbraw/zinc/70/23/16/487702316.db2.gz ARZGAINXPJXQSG-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCc1cc(NCCC2(CO)CC2)nc[nH+]1 ZINC000395830397 487703617 /nfs/dbraw/zinc/70/36/17/487703617.db2.gz YTTFTHRWOFMHDI-UHFFFAOYSA-N 1 2 221.304 1.035 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)[C@@H]1CCC[C@H]1O ZINC000671715968 487704532 /nfs/dbraw/zinc/70/45/32/487704532.db2.gz MJIMWVDZZLZTMH-NXEZZACHSA-N 1 2 237.303 1.292 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)[C@@H]1CCC[C@H]1O ZINC000671715968 487704541 /nfs/dbraw/zinc/70/45/41/487704541.db2.gz MJIMWVDZZLZTMH-NXEZZACHSA-N 1 2 237.303 1.292 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(O)c(F)c1 ZINC000681048842 487706223 /nfs/dbraw/zinc/70/62/23/487706223.db2.gz PVYDRHYGSAXRGO-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(O)c(F)c1 ZINC000681048842 487706226 /nfs/dbraw/zinc/70/62/26/487706226.db2.gz PVYDRHYGSAXRGO-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO CC(C)(C)c1nc(NC[C@@H]2CNC(=O)C2)cc[nH+]1 ZINC000665743869 487720996 /nfs/dbraw/zinc/72/09/96/487720996.db2.gz DIFLYYPWQLIPQN-SECBINFHSA-N 1 2 248.330 1.322 20 0 BDADLO CCn1cnc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000668419394 487720727 /nfs/dbraw/zinc/72/07/27/487720727.db2.gz BJJOQHAHEBEQAB-UHFFFAOYSA-N 1 2 230.271 1.281 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000668419747 487722331 /nfs/dbraw/zinc/72/23/31/487722331.db2.gz KZXXMZHKNRBVLT-WDEREUQCSA-N 1 2 234.299 1.566 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000681101551 487723248 /nfs/dbraw/zinc/72/32/48/487723248.db2.gz IDNWDQKBYWTDGH-AAEUAGOBSA-N 1 2 248.326 1.580 20 0 BDADLO COCc1cc(CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000668421672 487724261 /nfs/dbraw/zinc/72/42/61/487724261.db2.gz AVVZFNJWESHHTJ-UHFFFAOYSA-N 1 2 236.275 1.176 20 0 BDADLO COCc1cc(CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000668421672 487724267 /nfs/dbraw/zinc/72/42/67/487724267.db2.gz AVVZFNJWESHHTJ-UHFFFAOYSA-N 1 2 236.275 1.176 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)[C@H](C)CO1 ZINC000651405584 487728071 /nfs/dbraw/zinc/72/80/71/487728071.db2.gz UDSOWYVMGRXXLN-MNOVXSKESA-N 1 2 221.304 1.789 20 0 BDADLO CSCCC(=O)OCCn1cc[nH+]c1 ZINC000788056712 584953512 /nfs/dbraw/zinc/95/35/12/584953512.db2.gz PSNNXZFRTBKRIS-UHFFFAOYSA-N 1 2 214.290 1.179 20 0 BDADLO CC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675445275 487731614 /nfs/dbraw/zinc/73/16/14/487731614.db2.gz XGNAPACXTVCDIC-UHFFFAOYSA-N 1 2 244.338 1.919 20 0 BDADLO COCC[C@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412070092 487735035 /nfs/dbraw/zinc/73/50/35/487735035.db2.gz ICASWSBQQBCWSX-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO COCC[C@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412070092 487735039 /nfs/dbraw/zinc/73/50/39/487735039.db2.gz ICASWSBQQBCWSX-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CC[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665705932 487735518 /nfs/dbraw/zinc/73/55/18/487735518.db2.gz RTXMWUOZVTVAQA-VIFPVBQESA-N 1 2 234.303 1.517 20 0 BDADLO CC[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665705932 487735525 /nfs/dbraw/zinc/73/55/25/487735525.db2.gz RTXMWUOZVTVAQA-VIFPVBQESA-N 1 2 234.303 1.517 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1c1nc[nH+]c2c1OCCN2 ZINC000665706245 487736160 /nfs/dbraw/zinc/73/61/60/487736160.db2.gz YIJVWKYKLXELOY-RKDXNWHRSA-N 1 2 234.303 1.658 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1c1[nH+]cnc2c1OCCN2 ZINC000665706245 487736164 /nfs/dbraw/zinc/73/61/64/487736164.db2.gz YIJVWKYKLXELOY-RKDXNWHRSA-N 1 2 234.303 1.658 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1cc(NC2CC2)[nH+]cn1 ZINC000665705394 487736188 /nfs/dbraw/zinc/73/61/88/487736188.db2.gz SBWNMYMVVSHYSP-LLVKDONJSA-N 1 2 248.330 1.258 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1cc(NC2CC2)nc[nH+]1 ZINC000665705394 487736192 /nfs/dbraw/zinc/73/61/92/487736192.db2.gz SBWNMYMVVSHYSP-LLVKDONJSA-N 1 2 248.330 1.258 20 0 BDADLO C1=CCC(Nc2nc[nH+]c3c2OCCN3)C1 ZINC000665706468 487736428 /nfs/dbraw/zinc/73/64/28/487736428.db2.gz PBUSCRJFUGWPEU-UHFFFAOYSA-N 1 2 218.260 1.411 20 0 BDADLO C1=CCC(Nc2[nH+]cnc3c2OCCN3)C1 ZINC000665706468 487736435 /nfs/dbraw/zinc/73/64/35/487736435.db2.gz PBUSCRJFUGWPEU-UHFFFAOYSA-N 1 2 218.260 1.411 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000665714101 487737414 /nfs/dbraw/zinc/73/74/14/487737414.db2.gz SPOGRZTWDWLISH-WPRPVWTQSA-N 1 2 234.303 1.010 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000665714101 487737416 /nfs/dbraw/zinc/73/74/16/487737416.db2.gz SPOGRZTWDWLISH-WPRPVWTQSA-N 1 2 234.303 1.010 20 0 BDADLO CC[C@H](CNc1nc[nH+]c2c1OCCN2)OC ZINC000665720271 487739341 /nfs/dbraw/zinc/73/93/41/487739341.db2.gz SBEHVUYUVJOGIT-MRVPVSSYSA-N 1 2 238.291 1.118 20 0 BDADLO CC[C@H](CNc1[nH+]cnc2c1OCCN2)OC ZINC000665720271 487739345 /nfs/dbraw/zinc/73/93/45/487739345.db2.gz SBEHVUYUVJOGIT-MRVPVSSYSA-N 1 2 238.291 1.118 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC3(CC3)C2)nc[nH+]1 ZINC000665716948 487739354 /nfs/dbraw/zinc/73/93/54/487739354.db2.gz ZGMQZNHWMOUSPJ-JTQLQIEISA-N 1 2 248.330 1.260 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC3(CC3)C2)[nH+]cn1 ZINC000665716948 487739356 /nfs/dbraw/zinc/73/93/56/487739356.db2.gz ZGMQZNHWMOUSPJ-JTQLQIEISA-N 1 2 248.330 1.260 20 0 BDADLO CC[C@H](SC)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000747590558 585181013 /nfs/dbraw/zinc/18/10/13/585181013.db2.gz LKMKQTWKHCWMBM-ZJUUUORDSA-N 1 2 230.377 1.291 20 0 BDADLO CC[C@H](SC)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000747590558 585181014 /nfs/dbraw/zinc/18/10/14/585181014.db2.gz LKMKQTWKHCWMBM-ZJUUUORDSA-N 1 2 230.377 1.291 20 0 BDADLO CCOc1nc(C(=O)Nc2cc[nH+]c(C)c2)co1 ZINC000681272364 487766535 /nfs/dbraw/zinc/76/65/35/487766535.db2.gz FIQABKJFXZAGAR-UHFFFAOYSA-N 1 2 247.254 1.451 20 0 BDADLO COc1ccc(NC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC000672933528 487768303 /nfs/dbraw/zinc/76/83/03/487768303.db2.gz ASFCEYPBHWHLCJ-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H]2CCC(=O)N2)c1Cl ZINC000309858785 487770438 /nfs/dbraw/zinc/77/04/38/487770438.db2.gz LRNYIUGBDYGMRO-QMMMGPOBSA-N 1 2 239.706 1.734 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCN(C)C2=O)c(C)[nH+]1 ZINC000681307921 487774070 /nfs/dbraw/zinc/77/40/70/487774070.db2.gz XETYGWIQVIMQSU-JTQLQIEISA-N 1 2 247.298 1.115 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1F ZINC000679190157 487775593 /nfs/dbraw/zinc/77/55/93/487775593.db2.gz JMFVWNLIQUTGIG-WCBMZHEXSA-N 1 2 249.293 1.548 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC000652096150 487777850 /nfs/dbraw/zinc/77/78/50/487777850.db2.gz YRSMNWPJEIXKDZ-UTUOFQBUSA-N 1 2 233.315 1.845 20 0 BDADLO C[C@@](O)(C1CC[NH+](CCF)CC1)C(F)(F)F ZINC000767904112 585528300 /nfs/dbraw/zinc/52/83/00/585528300.db2.gz WQHNSLYGSRXSHX-SECBINFHSA-N 1 2 243.244 1.981 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000681363306 487784638 /nfs/dbraw/zinc/78/46/38/487784638.db2.gz QSXIWQZREIBKOX-QWRGUYRKSA-N 1 2 245.326 1.554 20 0 BDADLO FCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000675892232 487786189 /nfs/dbraw/zinc/78/61/89/487786189.db2.gz JLTIWMNDAGQREV-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO FCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000675892232 487786192 /nfs/dbraw/zinc/78/61/92/487786192.db2.gz JLTIWMNDAGQREV-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cn2)[C@@H](C)C1 ZINC000676886066 487792782 /nfs/dbraw/zinc/79/27/82/487792782.db2.gz YZKJOZQYOVVGAX-JOYOIKCWSA-N 1 2 248.330 1.454 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1ccon1 ZINC000684209149 487794173 /nfs/dbraw/zinc/79/41/73/487794173.db2.gz ZOLMVLCAIUNUNO-HTQZYQBOSA-N 1 2 209.249 1.096 20 0 BDADLO COCCC1C[NH+](Cc2csc(C)n2)C1 ZINC000668473203 487798850 /nfs/dbraw/zinc/79/88/50/487798850.db2.gz ZJMCMRCTPWWBMH-UHFFFAOYSA-N 1 2 226.345 1.920 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCCF ZINC000676063509 487807310 /nfs/dbraw/zinc/80/73/10/487807310.db2.gz PSKBQMGQUBHVBE-UHFFFAOYSA-N 1 2 213.256 1.139 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2CCCC2)[nH+]1 ZINC000676077318 487810066 /nfs/dbraw/zinc/81/00/66/487810066.db2.gz WIPHRDHIAKDVTK-UHFFFAOYSA-N 1 2 235.335 1.848 20 0 BDADLO Cc1nc(NCC2CCCC2)nc(N(C)C)[nH+]1 ZINC000676077318 487810070 /nfs/dbraw/zinc/81/00/70/487810070.db2.gz WIPHRDHIAKDVTK-UHFFFAOYSA-N 1 2 235.335 1.848 20 0 BDADLO CCc1cc(NCc2[nH+]ccn2CC)ncn1 ZINC000385381772 487811850 /nfs/dbraw/zinc/81/18/50/487811850.db2.gz SFUCIXJTSPKBHW-UHFFFAOYSA-N 1 2 231.303 1.289 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@H](O)C1CC1 ZINC000674314102 487815441 /nfs/dbraw/zinc/81/54/41/487815441.db2.gz VYWQYNWZQMUNGQ-JTQLQIEISA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@H](O)C1CC1 ZINC000674314102 487815448 /nfs/dbraw/zinc/81/54/48/487815448.db2.gz VYWQYNWZQMUNGQ-JTQLQIEISA-N 1 2 237.303 1.150 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CC2(C)COC2)[nH+]1 ZINC000624528182 487815132 /nfs/dbraw/zinc/81/51/32/487815132.db2.gz IBTZBYULBXUFAD-UHFFFAOYSA-N 1 2 246.314 1.739 20 0 BDADLO Cc1nc(N(C)CC2(C)COC2)cc[nH+]1 ZINC000624528236 487815201 /nfs/dbraw/zinc/81/52/01/487815201.db2.gz KOBOZIYLNSFQRT-UHFFFAOYSA-N 1 2 207.277 1.258 20 0 BDADLO Cn1ccnc1[C@H](N[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000681563185 487816214 /nfs/dbraw/zinc/81/62/14/487816214.db2.gz NORIXSDTAVSIOR-CHWSQXEVSA-N 1 2 248.374 1.555 20 0 BDADLO Cn1ccnc1[C@H](N[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000681563185 487816219 /nfs/dbraw/zinc/81/62/19/487816219.db2.gz NORIXSDTAVSIOR-CHWSQXEVSA-N 1 2 248.374 1.555 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000681580465 487817887 /nfs/dbraw/zinc/81/78/87/487817887.db2.gz MEWOOMBMBJCGKV-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681583668 487818254 /nfs/dbraw/zinc/81/82/54/487818254.db2.gz GLIAZMGEYOBRFI-WDEREUQCSA-N 1 2 233.315 1.314 20 0 BDADLO COCCC1CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000666492111 487820542 /nfs/dbraw/zinc/82/05/42/487820542.db2.gz MAIGJZQTWADKKK-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@]12C[C@H]1CCC2 ZINC000666492154 487820786 /nfs/dbraw/zinc/82/07/86/487820786.db2.gz AHSLVWPXFQCIET-ZWNOBZJWSA-N 1 2 231.299 1.876 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)NC1CCC1)C1CC1 ZINC000557844313 322943419 /nfs/dbraw/zinc/94/34/19/322943419.db2.gz BBEPAWPTBHOVHD-LLVKDONJSA-N 1 2 248.330 1.723 20 0 BDADLO C[N@H+](CCC(F)(F)F)[C@@H]1CC(C)(C)OC1=O ZINC000795660655 586090387 /nfs/dbraw/zinc/09/03/87/586090387.db2.gz HMVHHWOLIPMYNJ-SSDOTTSWSA-N 1 2 239.237 1.965 20 0 BDADLO C[N@@H+](CCC(F)(F)F)[C@@H]1CC(C)(C)OC1=O ZINC000795660655 586090388 /nfs/dbraw/zinc/09/03/88/586090388.db2.gz HMVHHWOLIPMYNJ-SSDOTTSWSA-N 1 2 239.237 1.965 20 0 BDADLO CC[N@H+](C[C@@H](C)OC)Cn1ccsc1=O ZINC000812303014 586572710 /nfs/dbraw/zinc/57/27/10/586572710.db2.gz JOAUIZGSLZCXGY-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO CC[N@@H+](C[C@@H](C)OC)Cn1ccsc1=O ZINC000812303014 586572711 /nfs/dbraw/zinc/57/27/11/586572711.db2.gz JOAUIZGSLZCXGY-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cn[nH]c1 ZINC000681696370 487841266 /nfs/dbraw/zinc/84/12/66/487841266.db2.gz HLXHUZCOPMQUGV-ZETCQYMHSA-N 1 2 232.291 1.256 20 0 BDADLO CC(F)(F)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493387470 528733250 /nfs/dbraw/zinc/73/32/50/528733250.db2.gz MKMRACZDFFILOW-NSCUHMNNSA-N 1 2 215.203 1.194 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCSC(C)(C)C ZINC000852158908 588668055 /nfs/dbraw/zinc/66/80/55/588668055.db2.gz JRTVJNOCFSGPEQ-NSHDSACASA-N 1 2 249.376 1.032 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000668995093 487843682 /nfs/dbraw/zinc/84/36/82/487843682.db2.gz HCZZRXICEOQASY-SECBINFHSA-N 1 2 207.277 1.462 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000668995093 487843690 /nfs/dbraw/zinc/84/36/90/487843690.db2.gz HCZZRXICEOQASY-SECBINFHSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCc1c[nH+]c[nH]1 ZINC000668996436 487845061 /nfs/dbraw/zinc/84/50/61/487845061.db2.gz ZOVLBCJUOUGQMV-VIFPVBQESA-N 1 2 233.271 1.498 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCc1c[nH]c[nH+]1 ZINC000668996436 487845064 /nfs/dbraw/zinc/84/50/64/487845064.db2.gz ZOVLBCJUOUGQMV-VIFPVBQESA-N 1 2 233.271 1.498 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000668995963 487844749 /nfs/dbraw/zinc/84/47/49/487844749.db2.gz SBCVOXQTCWSFNX-KOLCDFICSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000668995963 487844756 /nfs/dbraw/zinc/84/47/56/487844756.db2.gz SBCVOXQTCWSFNX-KOLCDFICSA-N 1 2 237.303 1.231 20 0 BDADLO CCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660249137 487847144 /nfs/dbraw/zinc/84/71/44/487847144.db2.gz YOIUEHGFSKDTLR-QMMMGPOBSA-N 1 2 210.281 1.190 20 0 BDADLO CNC(=O)c1cnc(/C=C\c2cn(C)c[nH+]2)s1 ZINC000669819002 487857895 /nfs/dbraw/zinc/85/78/95/487857895.db2.gz IDJZENMODIVDCI-ARJAWSKDSA-N 1 2 248.311 1.407 20 0 BDADLO CN(CCC1CC1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000676566981 487875287 /nfs/dbraw/zinc/87/52/87/487875287.db2.gz VPVKKFZOLUJBIU-UHFFFAOYSA-N 1 2 243.314 1.899 20 0 BDADLO Cc1cc(NC(=O)C2(C)CCOCC2)c(C)c[nH+]1 ZINC000676588321 487877749 /nfs/dbraw/zinc/87/77/49/487877749.db2.gz VROLHQYSJGULTH-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO C[C@H]([NH2+]C1CC1)C(=O)N=c1cc([C@H]2C[C@@H]2C)[nH][nH]1 ZINC000569357685 322963818 /nfs/dbraw/zinc/96/38/18/322963818.db2.gz WYNNFKWOYNQBGX-NRPADANISA-N 1 2 248.330 1.034 20 0 BDADLO C[C@H]([NH2+]C1CC1)C(=O)N=c1cc([C@@H]2C[C@H]2C)[nH][nH]1 ZINC000569357684 322963832 /nfs/dbraw/zinc/96/38/32/322963832.db2.gz WYNNFKWOYNQBGX-KHQFGBGNSA-N 1 2 248.330 1.034 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000676695343 487893454 /nfs/dbraw/zinc/89/34/54/487893454.db2.gz LUPWPDZQVFPHRC-CMPLNLGQSA-N 1 2 247.342 1.608 20 0 BDADLO CCOC1(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000668536882 487901153 /nfs/dbraw/zinc/90/11/53/487901153.db2.gz ZNEIWPBZWVJZGG-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nccs1 ZINC000676716269 487903776 /nfs/dbraw/zinc/90/37/76/487903776.db2.gz ZRCYQDODJJJHOM-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nccs1 ZINC000676716269 487903783 /nfs/dbraw/zinc/90/37/83/487903783.db2.gz ZRCYQDODJJJHOM-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CC2(CO)CC2)n1 ZINC000682091646 487906457 /nfs/dbraw/zinc/90/64/57/487906457.db2.gz YOUGOGGUMURLQP-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CC2(CO)CC2)n1 ZINC000682091646 487906449 /nfs/dbraw/zinc/90/64/49/487906449.db2.gz YOUGOGGUMURLQP-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669043235 487913671 /nfs/dbraw/zinc/91/36/71/487913671.db2.gz UOMXWJZEZOYPAB-WDEREUQCSA-N 1 2 249.358 1.923 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669043235 487913674 /nfs/dbraw/zinc/91/36/74/487913674.db2.gz UOMXWJZEZOYPAB-WDEREUQCSA-N 1 2 249.358 1.923 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(CO)cc1)C(F)F ZINC000227461049 487915395 /nfs/dbraw/zinc/91/53/95/487915395.db2.gz VHHAYOHUKLFGNG-QMMMGPOBSA-N 1 2 215.243 1.922 20 0 BDADLO CCCCOCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676793255 487930211 /nfs/dbraw/zinc/93/02/11/487930211.db2.gz WQMFPFAIAUITDX-UHFFFAOYSA-N 1 2 223.320 1.585 20 0 BDADLO CCCCOCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676793255 487930216 /nfs/dbraw/zinc/93/02/16/487930216.db2.gz WQMFPFAIAUITDX-UHFFFAOYSA-N 1 2 223.320 1.585 20 0 BDADLO CCCCOCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676793255 487930219 /nfs/dbraw/zinc/93/02/19/487930219.db2.gz WQMFPFAIAUITDX-UHFFFAOYSA-N 1 2 223.320 1.585 20 0 BDADLO CCCCOCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676793255 487930223 /nfs/dbraw/zinc/93/02/23/487930223.db2.gz WQMFPFAIAUITDX-UHFFFAOYSA-N 1 2 223.320 1.585 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000667061793 487935383 /nfs/dbraw/zinc/93/53/83/487935383.db2.gz XPNZGXQOCXQWAE-MFKMUULPSA-N 1 2 249.314 1.997 20 0 BDADLO FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH]cn2)C1 ZINC000684619574 487948058 /nfs/dbraw/zinc/94/80/58/487948058.db2.gz FCJSNNNNXKZJDN-ZETCQYMHSA-N 1 2 219.210 1.794 20 0 BDADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000684619574 487948066 /nfs/dbraw/zinc/94/80/66/487948066.db2.gz FCJSNNNNXKZJDN-ZETCQYMHSA-N 1 2 219.210 1.794 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665915902 487950962 /nfs/dbraw/zinc/95/09/62/487950962.db2.gz ODYWLISVUQCWMW-NXEZZACHSA-N 1 2 235.331 1.828 20 0 BDADLO CC(C)C[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653510044 487952672 /nfs/dbraw/zinc/95/26/72/487952672.db2.gz KCEDUBZKHVRWDJ-UHFFFAOYSA-N 1 2 225.340 1.516 20 0 BDADLO CC(C)C[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653510044 487952673 /nfs/dbraw/zinc/95/26/73/487952673.db2.gz KCEDUBZKHVRWDJ-UHFFFAOYSA-N 1 2 225.340 1.516 20 0 BDADLO CCc1noc([C@H](C)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000661084848 487954537 /nfs/dbraw/zinc/95/45/37/487954537.db2.gz FVTVBFOPCSLXBA-QMMMGPOBSA-N 1 2 235.291 1.548 20 0 BDADLO CCc1noc([C@H](C)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000661084848 487954542 /nfs/dbraw/zinc/95/45/42/487954542.db2.gz FVTVBFOPCSLXBA-QMMMGPOBSA-N 1 2 235.291 1.548 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000569428258 322965983 /nfs/dbraw/zinc/96/59/83/322965983.db2.gz WARSIOFSHYMKRO-YNEHKIRRSA-N 1 2 247.342 1.968 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CC2CCC1CC2 ZINC000560341880 322985968 /nfs/dbraw/zinc/98/59/68/322985968.db2.gz FKDRRJSLHCCOOR-VQXHTEKXSA-N 1 2 246.310 1.974 20 0 BDADLO CC[C@@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000560453794 322987452 /nfs/dbraw/zinc/98/74/52/322987452.db2.gz WXJLPUDFOSAPRQ-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)n1cccc1 ZINC000531118077 322998304 /nfs/dbraw/zinc/99/83/04/322998304.db2.gz GUULHURZGCVNNV-SNVBAGLBSA-N 1 2 246.314 1.787 20 0 BDADLO CC1(C)C[NH+](CC(=O)N(CC(F)F)C2CC2)C1 ZINC000561301660 322999063 /nfs/dbraw/zinc/99/90/63/322999063.db2.gz NUYQWGODFIIECY-UHFFFAOYSA-N 1 2 246.301 1.584 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1[nH+]cnc(-n2cccn2)c1N ZINC000561437752 323001653 /nfs/dbraw/zinc/00/16/53/323001653.db2.gz YCOOIMHYQMVNEG-RKDXNWHRSA-N 1 2 244.302 1.455 20 0 BDADLO C[C@H]1C[C@H](NC(=O)N(C)C)c2[nH+]ccn21 ZINC000566492254 323002464 /nfs/dbraw/zinc/00/24/64/323002464.db2.gz MTIPQAUOGIIRDI-YUMQZZPRSA-N 1 2 208.265 1.160 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)N(C)C)c2[nH+]ccn21 ZINC000566492252 323002473 /nfs/dbraw/zinc/00/24/73/323002473.db2.gz MTIPQAUOGIIRDI-JGVFFNPUSA-N 1 2 208.265 1.160 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000561502976 323003060 /nfs/dbraw/zinc/00/30/60/323003060.db2.gz DOLNTQSQMMCYDN-YABSGUDNSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1n[nH]cc1CNc1nc(C)[nH+]cc1C ZINC000566629146 323008223 /nfs/dbraw/zinc/00/82/23/323008223.db2.gz ARBDSAXTMLJYTD-UHFFFAOYSA-N 1 2 217.276 1.159 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@](C)(F)C1)n1cc[nH+]c1 ZINC000564731981 323012352 /nfs/dbraw/zinc/01/23/52/323012352.db2.gz NKSMNNPDOATONH-JQWIXIFHSA-N 1 2 239.294 1.795 20 0 BDADLO CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000562276310 323014552 /nfs/dbraw/zinc/01/45/52/323014552.db2.gz IUBDNDBZBWDKGN-JTQLQIEISA-N 1 2 207.277 1.142 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000562472451 323021216 /nfs/dbraw/zinc/02/12/16/323021216.db2.gz FZYSAOFFBUHHDI-NWDGAFQWSA-N 1 2 249.314 1.419 20 0 BDADLO C[C@@H]1[N@H+](Cc2cnccn2)CCOC1(C)C ZINC000562679360 323027312 /nfs/dbraw/zinc/02/73/12/323027312.db2.gz RJLBUQDVRDTDPO-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H]1[N@@H+](Cc2cnccn2)CCOC1(C)C ZINC000562679360 323027313 /nfs/dbraw/zinc/02/73/13/323027313.db2.gz RJLBUQDVRDTDPO-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000562721995 323029065 /nfs/dbraw/zinc/02/90/65/323029065.db2.gz BSOIRYIKYGMWJA-NXEZZACHSA-N 1 2 234.303 1.376 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000562721995 323029066 /nfs/dbraw/zinc/02/90/66/323029066.db2.gz BSOIRYIKYGMWJA-NXEZZACHSA-N 1 2 234.303 1.376 20 0 BDADLO CO[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)C1CC1 ZINC000562747475 323029551 /nfs/dbraw/zinc/02/95/51/323029551.db2.gz GXIJLUNKDSQXOE-GFCCVEGCSA-N 1 2 249.314 1.583 20 0 BDADLO [NH3+]CC1(CC(=O)Nc2ccc3nn[nH]c3c2)CC1 ZINC000562957417 323035101 /nfs/dbraw/zinc/03/51/01/323035101.db2.gz IQQGSWUITWJYDK-UHFFFAOYSA-N 1 2 245.286 1.025 20 0 BDADLO Cc1noc(CCCNc2nc(C)[nH+]cc2C)n1 ZINC000569744538 323039576 /nfs/dbraw/zinc/03/95/76/323039576.db2.gz VCOGXEIHXOIZOC-UHFFFAOYSA-N 1 2 247.302 1.251 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000569878231 323043583 /nfs/dbraw/zinc/04/35/83/323043583.db2.gz IZYFNSRLXMQWPT-MNOVXSKESA-N 1 2 235.331 1.467 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000569929543 323045066 /nfs/dbraw/zinc/04/50/66/323045066.db2.gz GWTBXPLOBPUEAP-WDEREUQCSA-N 1 2 221.304 1.503 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000569929543 323045067 /nfs/dbraw/zinc/04/50/67/323045067.db2.gz GWTBXPLOBPUEAP-WDEREUQCSA-N 1 2 221.304 1.503 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000570238864 323053914 /nfs/dbraw/zinc/05/39/14/323053914.db2.gz GYXXXBDDPHQBQA-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC000570238864 323053915 /nfs/dbraw/zinc/05/39/15/323053915.db2.gz GYXXXBDDPHQBQA-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO COc1cccc2c1[nH]c(=[NH+]CC1(F)CC1)n2C ZINC000570336910 323056786 /nfs/dbraw/zinc/05/67/86/323056786.db2.gz FPBHVPDKDSULMX-UHFFFAOYSA-N 1 2 249.289 1.918 20 0 BDADLO Cc1cc(CNC(=O)C2CC(=O)C2)cc(C)[nH+]1 ZINC000570440192 323059518 /nfs/dbraw/zinc/05/95/18/323059518.db2.gz OISZODJQFVYZKS-UHFFFAOYSA-N 1 2 232.283 1.294 20 0 BDADLO CCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000570455604 323060323 /nfs/dbraw/zinc/06/03/23/323060323.db2.gz UJPUWTQNBAFBHV-SNVBAGLBSA-N 1 2 221.304 1.893 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000572648540 323062745 /nfs/dbraw/zinc/06/27/45/323062745.db2.gz HVORAIKGVKUEFR-NWDGAFQWSA-N 1 2 247.342 1.815 20 0 BDADLO COCCc1nc(C[NH+]2C3CCC2CC3)no1 ZINC000570703096 323067941 /nfs/dbraw/zinc/06/79/41/323067941.db2.gz IHEAFVIIXCZBTK-UHFFFAOYSA-N 1 2 237.303 1.385 20 0 BDADLO CSC[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000300949007 323076792 /nfs/dbraw/zinc/07/67/92/323076792.db2.gz OAMMVOMVIDLTKE-JGVFFNPUSA-N 1 2 227.333 1.586 20 0 BDADLO CCn1cc(CN(C)Cc2c[nH+]cn2C)cn1 ZINC000531201197 323085125 /nfs/dbraw/zinc/08/51/25/323085125.db2.gz ISWTVRWVSISDOR-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CO[C@H](C)c1noc(C[NH+]2C3CCC2CC3)n1 ZINC000531342189 323087691 /nfs/dbraw/zinc/08/76/91/323087691.db2.gz QLBOZKUMQNWHHM-XNWIYYODSA-N 1 2 237.303 1.904 20 0 BDADLO COCC1(O)C[NH+](Cc2cc3cccnc3o2)C1 ZINC000563117460 323093313 /nfs/dbraw/zinc/09/33/13/323093313.db2.gz IAXLFRCFEHSJHV-UHFFFAOYSA-N 1 2 248.282 1.021 20 0 BDADLO CSCCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000531494497 323098647 /nfs/dbraw/zinc/09/86/47/323098647.db2.gz DQRHTVRZMFNGBI-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO CSCCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531494497 323098648 /nfs/dbraw/zinc/09/86/48/323098648.db2.gz DQRHTVRZMFNGBI-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC000563197282 323101241 /nfs/dbraw/zinc/10/12/41/323101241.db2.gz FTSZNFDZAMCLRQ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC000563197282 323101242 /nfs/dbraw/zinc/10/12/42/323101242.db2.gz FTSZNFDZAMCLRQ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CSCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571060002 323106348 /nfs/dbraw/zinc/10/63/48/323106348.db2.gz YKFQOOXWOYOGPV-SECBINFHSA-N 1 2 241.360 1.410 20 0 BDADLO CSCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571060002 323106349 /nfs/dbraw/zinc/10/63/49/323106349.db2.gz YKFQOOXWOYOGPV-SECBINFHSA-N 1 2 241.360 1.410 20 0 BDADLO Cc1cnc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cn1 ZINC000563284934 323108455 /nfs/dbraw/zinc/10/84/55/323108455.db2.gz FDPWPZADHTZQDH-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO CC[C@@H](CO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563285884 323108584 /nfs/dbraw/zinc/10/85/84/323108584.db2.gz ZYVFSRGBNVQNRT-QWRGUYRKSA-N 1 2 239.319 1.064 20 0 BDADLO O=C(C[C@@H]1CCCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000531502959 323109179 /nfs/dbraw/zinc/10/91/79/323109179.db2.gz QYPAHCFNNMDFLX-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCCO2)c(C)c[nH+]1 ZINC000534299921 323115905 /nfs/dbraw/zinc/11/59/05/323115905.db2.gz MBARYXHUJADSPZ-GFCCVEGCSA-N 1 2 234.299 1.628 20 0 BDADLO Cc1cc(NC(=O)NC2(CO)CCC2)c(C)c[nH+]1 ZINC000534326187 323116901 /nfs/dbraw/zinc/11/69/01/323116901.db2.gz OLCJJLZVRWQAIT-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO CCc1ccc(C[NH+]2CCS(=O)CC2)s1 ZINC000534350488 323117446 /nfs/dbraw/zinc/11/74/46/323117446.db2.gz PHZBHMZGQJSFEN-UHFFFAOYSA-N 1 2 243.397 1.875 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCCC3)ccn12 ZINC000563369032 323121647 /nfs/dbraw/zinc/12/16/47/323121647.db2.gz GAMMQCDAZOOZEA-UHFFFAOYSA-N 1 2 229.283 1.879 20 0 BDADLO Cc1ccnc([C@H]2CC[N@H+](Cc3cnn[nH]3)C2)c1 ZINC000565175517 323133922 /nfs/dbraw/zinc/13/39/22/323133922.db2.gz VQWCSIZRUWUIBL-NSHDSACASA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)c1 ZINC000565175517 323133923 /nfs/dbraw/zinc/13/39/23/323133923.db2.gz VQWCSIZRUWUIBL-NSHDSACASA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@H]2CC[N@H+](Cc3c[nH]nn3)C2)c1 ZINC000565175517 323133924 /nfs/dbraw/zinc/13/39/24/323133924.db2.gz VQWCSIZRUWUIBL-NSHDSACASA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)c1 ZINC000565175517 323133925 /nfs/dbraw/zinc/13/39/25/323133925.db2.gz VQWCSIZRUWUIBL-NSHDSACASA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@H]2CC[N@H+](Cc3cn[nH]n3)C2)c1 ZINC000565175517 323133926 /nfs/dbraw/zinc/13/39/26/323133926.db2.gz VQWCSIZRUWUIBL-NSHDSACASA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)c1 ZINC000565175517 323133927 /nfs/dbraw/zinc/13/39/27/323133927.db2.gz VQWCSIZRUWUIBL-NSHDSACASA-N 1 2 243.314 1.498 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)no1 ZINC000571091723 323135126 /nfs/dbraw/zinc/13/51/26/323135126.db2.gz DHWFCAIWHNDJRT-CPOMMVLXSA-N 1 2 237.303 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)no1 ZINC000571091723 323135127 /nfs/dbraw/zinc/13/51/27/323135127.db2.gz DHWFCAIWHNDJRT-CPOMMVLXSA-N 1 2 237.303 1.142 20 0 BDADLO COC[C@@H]1CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000571377593 323142978 /nfs/dbraw/zinc/14/29/78/323142978.db2.gz NNTNGCMVUFTWRD-NSHDSACASA-N 1 2 249.314 1.373 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000571525714 323146926 /nfs/dbraw/zinc/14/69/26/323146926.db2.gz FFVQFFKTDUTVQH-GXSJLCMTSA-N 1 2 249.314 1.592 20 0 BDADLO CC[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](C)[S@]1=O ZINC000571567456 323148756 /nfs/dbraw/zinc/14/87/56/323148756.db2.gz LKWMNMZMYLNOGU-FEUHOPSXSA-N 1 2 233.352 1.720 20 0 BDADLO CC[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](C)[S@]1=O ZINC000571567456 323148757 /nfs/dbraw/zinc/14/87/57/323148757.db2.gz LKWMNMZMYLNOGU-FEUHOPSXSA-N 1 2 233.352 1.720 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H](F)C1 ZINC000572856101 323149274 /nfs/dbraw/zinc/14/92/74/323149274.db2.gz XZHJJDLJIPJWHV-NKWVEPMBSA-N 1 2 226.255 1.370 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H](F)C1 ZINC000572856101 323149275 /nfs/dbraw/zinc/14/92/75/323149275.db2.gz XZHJJDLJIPJWHV-NKWVEPMBSA-N 1 2 226.255 1.370 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc2cccnc2o1 ZINC000571628438 323149957 /nfs/dbraw/zinc/14/99/57/323149957.db2.gz WNHFNXWFJLFZKQ-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000571628438 323149958 /nfs/dbraw/zinc/14/99/58/323149958.db2.gz WNHFNXWFJLFZKQ-VIFPVBQESA-N 1 2 245.282 1.148 20 0 BDADLO Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000049002336 323156489 /nfs/dbraw/zinc/15/64/89/323156489.db2.gz VYLCOJQRPRAWEW-UHFFFAOYSA-N 1 2 247.298 1.995 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000049371025 323159939 /nfs/dbraw/zinc/15/99/39/323159939.db2.gz DSODNJVYQAQNCC-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)CN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049459708 323160778 /nfs/dbraw/zinc/16/07/78/323160778.db2.gz GTSXQBJSDIRAAV-LLVKDONJSA-N 1 2 238.335 1.569 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535035352 323164140 /nfs/dbraw/zinc/16/41/40/323164140.db2.gz WQRFDYIFDFNDIC-JTQLQIEISA-N 1 2 222.288 1.484 20 0 BDADLO C[C@@H](CC(=O)N1CCC1(C)C)n1cc[nH+]c1 ZINC000563717170 323175400 /nfs/dbraw/zinc/17/54/00/323175400.db2.gz SMQOBWAYHVCECV-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO COCC1(NC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000535774223 323190977 /nfs/dbraw/zinc/19/09/77/323190977.db2.gz XWQJCTJNLBOLGN-UHFFFAOYSA-N 1 2 249.314 1.421 20 0 BDADLO CCOCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000536620244 323198784 /nfs/dbraw/zinc/19/87/84/323198784.db2.gz QARQRVFPWGARIG-UHFFFAOYSA-N 1 2 237.303 1.278 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000563897607 323205560 /nfs/dbraw/zinc/20/55/60/323205560.db2.gz WPXZKHOZRJTXLS-GHMZBOCLSA-N 1 2 235.331 1.752 20 0 BDADLO CC(C)[C@](C)(CO)[NH2+]Cc1nnsc1Cl ZINC000309081135 323314804 /nfs/dbraw/zinc/31/48/04/323314804.db2.gz PTOANCOLHXIGEW-VIFPVBQESA-N 1 2 249.767 1.688 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547770353 323345341 /nfs/dbraw/zinc/34/53/41/323345341.db2.gz NYYQKZMMWLDRPU-YIZRAAEISA-N 1 2 239.344 1.953 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547770353 323345343 /nfs/dbraw/zinc/34/53/43/323345343.db2.gz NYYQKZMMWLDRPU-YIZRAAEISA-N 1 2 239.344 1.953 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1nc(N)c2ccccc2[nH+]1 ZINC000530359573 323382726 /nfs/dbraw/zinc/38/27/26/323382726.db2.gz CWEINMAYFMRNGC-RKDXNWHRSA-N 1 2 244.298 1.002 20 0 BDADLO CSC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000571776364 323479173 /nfs/dbraw/zinc/47/91/73/323479173.db2.gz ZEHQHNPFVPORRM-MRVPVSSYSA-N 1 2 239.344 1.873 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000571877670 323495878 /nfs/dbraw/zinc/49/58/78/323495878.db2.gz POLUNUMCFYLRTD-GRYCIOLGSA-N 1 2 248.330 1.371 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCC12CC2 ZINC000527942970 323722168 /nfs/dbraw/zinc/72/21/68/323722168.db2.gz IAOBDICSLWQVGO-NSHDSACASA-N 1 2 233.315 1.580 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1ccncc1 ZINC000527925132 323731976 /nfs/dbraw/zinc/73/19/76/323731976.db2.gz UPRTVWRAFWBORI-CYBMUJFWSA-N 1 2 245.330 1.934 20 0 BDADLO Cc1cocc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000527976536 323739178 /nfs/dbraw/zinc/73/91/78/323739178.db2.gz BWHPZUMAKRIPCS-SNVBAGLBSA-N 1 2 233.271 1.603 20 0 BDADLO CCn1ncc(CNc2cc[nH+]c(C(C)C)n2)n1 ZINC000528068974 323757393 /nfs/dbraw/zinc/75/73/93/323757393.db2.gz AHPXKZMQFVCGEM-UHFFFAOYSA-N 1 2 246.318 1.245 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146079 487960507 /nfs/dbraw/zinc/96/05/07/487960507.db2.gz BDRQPQMONFIPIA-KBVBDRTLSA-N 1 2 245.326 1.837 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000682430076 487961396 /nfs/dbraw/zinc/96/13/96/487961396.db2.gz HIIPYYQCKYVGJR-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO C[C@@H](NC(=O)N1[C@H](C)C[C@@H]1C)c1[nH+]ccn1C ZINC000667249872 487961505 /nfs/dbraw/zinc/96/15/05/487961505.db2.gz BCZMECKBXYMWQT-KXUCPTDWSA-N 1 2 236.319 1.673 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cccs1 ZINC000123079201 324080138 /nfs/dbraw/zinc/08/01/38/324080138.db2.gz JVXURQSLHHWIGD-UHFFFAOYSA-N 1 2 221.285 1.444 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@](C)(O)C1 ZINC000234946741 324150293 /nfs/dbraw/zinc/15/02/93/324150293.db2.gz LVFANCRWPIHKPW-LLVKDONJSA-N 1 2 208.261 1.051 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCC12CC2 ZINC000529006743 324230929 /nfs/dbraw/zinc/23/09/29/324230929.db2.gz QQAOSSAPEVGTTP-GFCCVEGCSA-N 1 2 247.342 1.659 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1COC1 ZINC000529092294 324245408 /nfs/dbraw/zinc/24/54/08/324245408.db2.gz JUCNJLHBNUHASQ-UHFFFAOYSA-N 1 2 235.287 1.466 20 0 BDADLO C[C@@H]1[C@H](C(=O)NCCc2cn(C)c[nH+]2)[C@H]1C1CC1 ZINC000529477277 324309766 /nfs/dbraw/zinc/30/97/66/324309766.db2.gz KMNNXLRVBUNJPX-BIMULSAOSA-N 1 2 247.342 1.371 20 0 BDADLO O=C(NCC1CC=CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000529708637 324381963 /nfs/dbraw/zinc/38/19/63/324381963.db2.gz LDLFUULQQKOTKR-NSHDSACASA-N 1 2 245.326 1.597 20 0 BDADLO O=C(NCC1CC=CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000529708637 324381965 /nfs/dbraw/zinc/38/19/65/324381965.db2.gz LDLFUULQQKOTKR-NSHDSACASA-N 1 2 245.326 1.597 20 0 BDADLO COc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000654791478 487964850 /nfs/dbraw/zinc/96/48/50/487964850.db2.gz SHGLJYCGLSHISM-UHFFFAOYSA-N 1 2 247.254 1.182 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H]1CC[C@H](O)C1 ZINC000227662376 324857386 /nfs/dbraw/zinc/85/73/86/324857386.db2.gz SDUUGIGENNDKNK-ZJUUUORDSA-N 1 2 222.288 1.663 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CC[C@H](O)C1 ZINC000227662381 324857425 /nfs/dbraw/zinc/85/74/25/324857425.db2.gz SDUUGIGENNDKNK-UWVGGRQHSA-N 1 2 222.288 1.663 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCOC[C@@H]1C ZINC000564225643 324877081 /nfs/dbraw/zinc/87/70/81/324877081.db2.gz KJQGRZLLHXMXJL-GXSJLCMTSA-N 1 2 221.304 1.930 20 0 BDADLO Cc1nc(N2CCC(n3ccnn3)CC2)cc[nH+]1 ZINC000542783639 325047543 /nfs/dbraw/zinc/04/75/43/325047543.db2.gz UUXPAOOTJNBNNR-UHFFFAOYSA-N 1 2 244.302 1.218 20 0 BDADLO CCCN1CC[NH+](CCOC(C)C)CC1 ZINC000071015218 325050125 /nfs/dbraw/zinc/05/01/25/325050125.db2.gz OUJQGPHMAAESQS-UHFFFAOYSA-N 1 2 214.353 1.439 20 0 BDADLO C[C@@H](O)C1CC[NH+](Cc2csnn2)CC1 ZINC000130420916 325051204 /nfs/dbraw/zinc/05/12/04/325051204.db2.gz JTYDNZDXJFEQGL-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000543124727 325073250 /nfs/dbraw/zinc/07/32/50/325073250.db2.gz QMZQIJICJFGOND-VIFPVBQESA-N 1 2 242.706 1.310 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000543124727 325073252 /nfs/dbraw/zinc/07/32/52/325073252.db2.gz QMZQIJICJFGOND-VIFPVBQESA-N 1 2 242.706 1.310 20 0 BDADLO CCc1cnc(C[N@@H+]2CCSC[C@H]2CO)o1 ZINC000543186070 325076127 /nfs/dbraw/zinc/07/61/27/325076127.db2.gz DPYDXMGNZKXPSB-SECBINFHSA-N 1 2 242.344 1.147 20 0 BDADLO CCc1cnc(C[N@H+]2CCSC[C@H]2CO)o1 ZINC000543186070 325076131 /nfs/dbraw/zinc/07/61/31/325076131.db2.gz DPYDXMGNZKXPSB-SECBINFHSA-N 1 2 242.344 1.147 20 0 BDADLO CCCC[C@H]([NH2+][C@H](CC)COC)C(=O)OC ZINC000131231619 325128111 /nfs/dbraw/zinc/12/81/11/325128111.db2.gz OONNVWSKUSWPAG-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CC=CCC1 ZINC000544406977 325141088 /nfs/dbraw/zinc/14/10/88/325141088.db2.gz WYIXGLNMJBTVPF-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO c1cc(C[NH2+]Cc2nnnn2CC2CC2)cs1 ZINC000545315570 325211513 /nfs/dbraw/zinc/21/15/13/325211513.db2.gz VDWTWONYDHJUMZ-UHFFFAOYSA-N 1 2 249.343 1.434 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc(C2CC2)no1 ZINC000076494807 325347025 /nfs/dbraw/zinc/34/70/25/325347025.db2.gz DTKSLPZZWNJHMS-UHFFFAOYSA-N 1 2 225.292 1.462 20 0 BDADLO COc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000134491251 325361012 /nfs/dbraw/zinc/36/10/12/325361012.db2.gz QKISZMVLEZEWTH-UHFFFAOYSA-N 1 2 245.282 1.391 20 0 BDADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)C(C)(C)C ZINC000547483493 325361831 /nfs/dbraw/zinc/36/18/31/325361831.db2.gz QQQHVIMXQODNPQ-JTQLQIEISA-N 1 2 237.347 1.761 20 0 BDADLO CCN(CC(C)C)C(=O)Cc1c[nH+]cn1C ZINC000547603254 325373635 /nfs/dbraw/zinc/37/36/35/325373635.db2.gz ZZQOLNZJPVJWAU-UHFFFAOYSA-N 1 2 223.320 1.467 20 0 BDADLO CC[C@H](C)CN(C)c1nc[nH+]c(N)c1OC ZINC000134821415 325377855 /nfs/dbraw/zinc/37/78/55/325377855.db2.gz QGSMUXKGJPLBMB-QMMMGPOBSA-N 1 2 224.308 1.550 20 0 BDADLO CC[C@H](C)CN(C)c1[nH+]cnc(N)c1OC ZINC000134821415 325377856 /nfs/dbraw/zinc/37/78/56/325377856.db2.gz QGSMUXKGJPLBMB-QMMMGPOBSA-N 1 2 224.308 1.550 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC[C@@H]1C ZINC000134888256 325381311 /nfs/dbraw/zinc/38/13/11/325381311.db2.gz MVJLBLVHQQPJII-YUMQZZPRSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC[C@@H]1C ZINC000134888256 325381312 /nfs/dbraw/zinc/38/13/12/325381312.db2.gz MVJLBLVHQQPJII-YUMQZZPRSA-N 1 2 222.292 1.668 20 0 BDADLO CCC(C)(CC)NC(=O)Cc1c[nH+]cn1C ZINC000548209233 325441014 /nfs/dbraw/zinc/44/10/14/325441014.db2.gz LHEMOMOINANWCF-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO CO[C@H](C)c1noc(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000548425669 325456904 /nfs/dbraw/zinc/45/69/04/325456904.db2.gz CBDDTXDPWXIHCX-XHNCKOQMSA-N 1 2 225.292 1.760 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(C(C)(C)O)C2)[nH+]1 ZINC000548692677 325473370 /nfs/dbraw/zinc/47/33/70/325473370.db2.gz UGMZFLVIRGHJEG-UHFFFAOYSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1cccc(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000137150574 325479928 /nfs/dbraw/zinc/47/99/28/325479928.db2.gz UIFRTKGPWWZUOY-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CCCc1nc(CN(C)Cc2c[nH+]c[nH]2)no1 ZINC000661086733 487968480 /nfs/dbraw/zinc/96/84/80/487968480.db2.gz GGUHESOSQKWPKH-UHFFFAOYSA-N 1 2 235.291 1.377 20 0 BDADLO CCCc1nc(CN(C)Cc2c[nH]c[nH+]2)no1 ZINC000661086733 487968482 /nfs/dbraw/zinc/96/84/82/487968482.db2.gz GGUHESOSQKWPKH-UHFFFAOYSA-N 1 2 235.291 1.377 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000551490938 325558662 /nfs/dbraw/zinc/55/86/62/325558662.db2.gz LXSDVUMPSOLYRL-FRRDWIJNSA-N 1 2 247.342 1.990 20 0 BDADLO CS[C@@H](C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000553197735 325680858 /nfs/dbraw/zinc/68/08/58/325680858.db2.gz AUPDDZYGJOFBMI-VIFPVBQESA-N 1 2 230.377 1.196 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000555224094 325750613 /nfs/dbraw/zinc/75/06/13/325750613.db2.gz ZUYUCRQUHDSQOT-VHSXEESVSA-N 1 2 207.277 1.140 20 0 BDADLO C[C@@H](F)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000555232076 325750673 /nfs/dbraw/zinc/75/06/73/325750673.db2.gz OWQDFOOYYRZVME-MRVPVSSYSA-N 1 2 234.278 1.624 20 0 BDADLO O=C(NCCCC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000152798550 325802031 /nfs/dbraw/zinc/80/20/31/325802031.db2.gz FWXFISZICWMDTE-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000565072730 325854017 /nfs/dbraw/zinc/85/40/17/325854017.db2.gz TYMUHTNPUWJCMY-VHSXEESVSA-N 1 2 219.288 1.462 20 0 BDADLO C[C@H](CC(=O)N(C)c1cnccn1)n1cc[nH+]c1 ZINC000565483332 325917954 /nfs/dbraw/zinc/91/79/54/325917954.db2.gz GLOCOCZHYHCAQT-SNVBAGLBSA-N 1 2 245.286 1.287 20 0 BDADLO CCn1[nH]c(C)nc1=NCc1c[nH+]cn1C(C)C ZINC000566113964 325997717 /nfs/dbraw/zinc/99/77/17/325997717.db2.gz GHXUMFFHAQYJQC-UHFFFAOYSA-N 1 2 248.334 1.418 20 0 BDADLO C[C@@H](CC(=O)N(C)c1nccn1C)n1cc[nH+]c1 ZINC000566303285 326031202 /nfs/dbraw/zinc/03/12/02/326031202.db2.gz GKIGCUFJNVNRDB-JTQLQIEISA-N 1 2 247.302 1.231 20 0 BDADLO C[C@H](CC(=O)N(C)CCCCO)n1cc[nH+]c1 ZINC000566340770 326034782 /nfs/dbraw/zinc/03/47/82/326034782.db2.gz IURIGHGVDQCKDW-LLVKDONJSA-N 1 2 239.319 1.065 20 0 BDADLO F[C@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000566353892 326036142 /nfs/dbraw/zinc/03/61/42/326036142.db2.gz MKFCOXARZKZAIT-JTQLQIEISA-N 1 2 234.278 1.663 20 0 BDADLO F[C@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000566353892 326036144 /nfs/dbraw/zinc/03/61/44/326036144.db2.gz MKFCOXARZKZAIT-JTQLQIEISA-N 1 2 234.278 1.663 20 0 BDADLO Cc1c[nH+]c(C)nc1NC1CCC(C(N)=O)CC1 ZINC000566477309 326054652 /nfs/dbraw/zinc/05/46/52/326054652.db2.gz AZVWGDQMQKCNIX-UHFFFAOYSA-N 1 2 248.330 1.549 20 0 BDADLO CO[C@H](CNc1nc(C)[nH+]cc1C)C1CC1 ZINC000566481072 326055697 /nfs/dbraw/zinc/05/56/97/326055697.db2.gz FHKHGUHQYRWABL-LLVKDONJSA-N 1 2 221.304 1.352 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1=CCCCC1 ZINC000566482961 326056327 /nfs/dbraw/zinc/05/63/27/326056327.db2.gz RSMBXAVIQPXTPJ-UHFFFAOYSA-N 1 2 234.303 1.402 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1=CCCCC1 ZINC000566482961 326056328 /nfs/dbraw/zinc/05/63/28/326056328.db2.gz RSMBXAVIQPXTPJ-UHFFFAOYSA-N 1 2 234.303 1.402 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)Cc1ccncc1 ZINC000566571456 326065440 /nfs/dbraw/zinc/06/54/40/326065440.db2.gz BJYYNFUPHKXPCA-LLVKDONJSA-N 1 2 242.326 1.953 20 0 BDADLO CC(C)(NC(=O)c1cncs1)c1[nH]cc[nH+]1 ZINC000566743980 326079933 /nfs/dbraw/zinc/07/99/33/326079933.db2.gz VNERZQZPIWVQPW-UHFFFAOYSA-N 1 2 236.300 1.531 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000566799258 326084431 /nfs/dbraw/zinc/08/44/31/326084431.db2.gz DFYFNCUCINNFFX-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1cnn(C)c1 ZINC000566799258 326084432 /nfs/dbraw/zinc/08/44/32/326084432.db2.gz DFYFNCUCINNFFX-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO CCCCCC(=O)NCc1c[nH+]c(C)nc1N ZINC000566812641 326085576 /nfs/dbraw/zinc/08/55/76/326085576.db2.gz LLMFSUZDALVGBI-UHFFFAOYSA-N 1 2 236.319 1.394 20 0 BDADLO C[C@H](O)C[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000566841735 326086753 /nfs/dbraw/zinc/08/67/53/326086753.db2.gz ZIULTLDCZZPZDH-UWVGGRQHSA-N 1 2 247.298 1.768 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153638660 326105201 /nfs/dbraw/zinc/10/52/01/326105201.db2.gz ZKDBPIUVLPFPFT-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)O1 ZINC000567123053 326119964 /nfs/dbraw/zinc/11/99/64/326119964.db2.gz YRHIHJGNUWHONM-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CO1 ZINC000567355605 326173036 /nfs/dbraw/zinc/17/30/36/326173036.db2.gz IEAKBNRMGYKOSA-UTLUCORTSA-N 1 2 249.314 1.123 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CO1 ZINC000567355605 326173038 /nfs/dbraw/zinc/17/30/38/326173038.db2.gz IEAKBNRMGYKOSA-UTLUCORTSA-N 1 2 249.314 1.123 20 0 BDADLO CC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000155447610 326196470 /nfs/dbraw/zinc/19/64/70/326196470.db2.gz KXWRROOYRDLMQO-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CN(CC1(CO)CC1)c1cc(NC2CC2)[nH+]cn1 ZINC000567469788 326198814 /nfs/dbraw/zinc/19/88/14/326198814.db2.gz JMZCBFXAQBVFGS-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO CN(CC1(CO)CC1)c1cc(NC2CC2)nc[nH+]1 ZINC000567469788 326198816 /nfs/dbraw/zinc/19/88/16/326198816.db2.gz JMZCBFXAQBVFGS-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000567484591 326201642 /nfs/dbraw/zinc/20/16/42/326201642.db2.gz UGYIRILIJYGASA-DTWKUNHWSA-N 1 2 237.303 1.196 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000156821439 326243495 /nfs/dbraw/zinc/24/34/95/326243495.db2.gz DRQWAQKQDVUUND-DGCLKSJQSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cccnc1 ZINC000156821439 326243496 /nfs/dbraw/zinc/24/34/96/326243496.db2.gz DRQWAQKQDVUUND-DGCLKSJQSA-N 1 2 236.315 1.053 20 0 BDADLO Cn1c[nH+]c(CCNc2cc[nH+]cc2C(=O)[O-])c1 ZINC000313248463 326260011 /nfs/dbraw/zinc/26/00/11/326260011.db2.gz VEYUSDVKLGZTKI-UHFFFAOYSA-N 1 2 246.270 1.168 20 0 BDADLO CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000567975351 326289647 /nfs/dbraw/zinc/28/96/47/326289647.db2.gz RGIGPJPAHXZPCW-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CC(n2cc[nH+]c2)C1 ZINC000568072848 326304339 /nfs/dbraw/zinc/30/43/39/326304339.db2.gz ILTOMHSCEMLDHS-TUAOUCFPSA-N 1 2 245.326 1.703 20 0 BDADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)c(C)n1 ZINC000568104770 326308701 /nfs/dbraw/zinc/30/87/01/326308701.db2.gz FETLIHAHNFHFGV-UHFFFAOYSA-N 1 2 247.342 1.979 20 0 BDADLO CC1(C)CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000568154227 326314401 /nfs/dbraw/zinc/31/44/01/326314401.db2.gz LKBBWBLJQDJDOX-SECBINFHSA-N 1 2 248.330 1.461 20 0 BDADLO CC1(C)CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000568154227 326314404 /nfs/dbraw/zinc/31/44/04/326314404.db2.gz LKBBWBLJQDJDOX-SECBINFHSA-N 1 2 248.330 1.461 20 0 BDADLO N#Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)s1 ZINC000568167886 326318107 /nfs/dbraw/zinc/31/81/07/326318107.db2.gz RESDGVIWYYROJT-UHFFFAOYSA-N 1 2 244.323 1.901 20 0 BDADLO N#Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)s1 ZINC000568167886 326318109 /nfs/dbraw/zinc/31/81/09/326318109.db2.gz RESDGVIWYYROJT-UHFFFAOYSA-N 1 2 244.323 1.901 20 0 BDADLO Cc1ccncc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000568190135 326323587 /nfs/dbraw/zinc/32/35/87/326323587.db2.gz AODXVNGQKFRVNN-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO CCn1ccnc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000568226500 326329316 /nfs/dbraw/zinc/32/93/16/326329316.db2.gz BSKITRTUCPPESX-JTQLQIEISA-N 1 2 236.319 1.182 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)CC(C)(C)O ZINC000568248163 326334309 /nfs/dbraw/zinc/33/43/09/326334309.db2.gz IYZJIWMCWCWOSH-SECBINFHSA-N 1 2 223.320 1.477 20 0 BDADLO CCN1C[C@H](Nc2nc(C)[nH+]cc2C)CC1=O ZINC000568248763 326334583 /nfs/dbraw/zinc/33/45/83/326334583.db2.gz ZKOXPUKLKVZKIT-SNVBAGLBSA-N 1 2 234.303 1.126 20 0 BDADLO COC1(C[N@@H+]2CCn3nncc3C2)CCCC1 ZINC000568253492 326335433 /nfs/dbraw/zinc/33/54/33/326335433.db2.gz QEZIVLMDOHXZID-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO COC1(C[N@H+]2CCn3nncc3C2)CCCC1 ZINC000568253492 326335436 /nfs/dbraw/zinc/33/54/36/326335436.db2.gz QEZIVLMDOHXZID-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(F)(F)F ZINC000568277038 326339998 /nfs/dbraw/zinc/33/99/98/326339998.db2.gz NIBRNELLOZALJK-JGVFFNPUSA-N 1 2 249.236 1.901 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)C(F)(F)F)n1cc[nH+]c1 ZINC000568277037 326340010 /nfs/dbraw/zinc/34/00/10/326340010.db2.gz NIBRNELLOZALJK-HTQZYQBOSA-N 1 2 249.236 1.901 20 0 BDADLO CCN(c1nc(C)[nH+]c2c1CCCC2)C1COC1 ZINC000568474519 326358312 /nfs/dbraw/zinc/35/83/12/326358312.db2.gz XLNAGAYTHIYZOX-UHFFFAOYSA-N 1 2 247.342 1.889 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC(C)(C)C1 ZINC000568548787 326364597 /nfs/dbraw/zinc/36/45/97/326364597.db2.gz HWGUFVYQYWYKQD-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000568634798 326369676 /nfs/dbraw/zinc/36/96/76/326369676.db2.gz MHZRJQDBCVNERB-TVQRCGJNSA-N 1 2 249.289 1.761 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000568634790 326369815 /nfs/dbraw/zinc/36/98/15/326369815.db2.gz MHZRJQDBCVNERB-NOZJJQNGSA-N 1 2 249.289 1.761 20 0 BDADLO Cc1ccoc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568641872 326370539 /nfs/dbraw/zinc/37/05/39/326370539.db2.gz SVJGDWRNNGWFJT-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000568700874 326372904 /nfs/dbraw/zinc/37/29/04/326372904.db2.gz NXRRYDOZBPFDCD-LLVKDONJSA-N 1 2 235.331 1.778 20 0 BDADLO CC(C)Oc1cncc(NCc2[nH+]ccn2C)n1 ZINC000568934089 326382793 /nfs/dbraw/zinc/38/27/93/326382793.db2.gz KYNAEVSXBLRBOM-UHFFFAOYSA-N 1 2 247.302 1.609 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC([C@H](C)O)CC1 ZINC000568938506 326382917 /nfs/dbraw/zinc/38/29/17/326382917.db2.gz CZDXDEFGMQENDR-JTQLQIEISA-N 1 2 235.331 1.691 20 0 BDADLO COCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000569234719 326396472 /nfs/dbraw/zinc/39/64/72/326396472.db2.gz IVURTTAXXRBFDH-UHFFFAOYSA-N 1 2 220.272 1.087 20 0 BDADLO COCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000569234719 326396474 /nfs/dbraw/zinc/39/64/74/326396474.db2.gz IVURTTAXXRBFDH-UHFFFAOYSA-N 1 2 220.272 1.087 20 0 BDADLO CCc1occc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000572920419 326418742 /nfs/dbraw/zinc/41/87/42/326418742.db2.gz GLLMNFGYLFMFFI-UHFFFAOYSA-N 1 2 245.282 1.736 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000682531460 487978574 /nfs/dbraw/zinc/97/85/74/487978574.db2.gz IUWPHRZOTJOSJA-RNFRBKRXSA-N 1 2 249.240 1.155 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000682531460 487978577 /nfs/dbraw/zinc/97/85/77/487978577.db2.gz IUWPHRZOTJOSJA-RNFRBKRXSA-N 1 2 249.240 1.155 20 0 BDADLO Cc1ccc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000677135738 487981871 /nfs/dbraw/zinc/98/18/71/487981871.db2.gz OKWBULPIVSUMQI-JTQLQIEISA-N 1 2 247.298 1.532 20 0 BDADLO O[C@@H]1C[N@@H+]([C@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543609 487982565 /nfs/dbraw/zinc/98/25/65/487982565.db2.gz OFDLJSOVHKFGSS-UWVGGRQHSA-N 1 2 217.259 1.797 20 0 BDADLO O[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543609 487982569 /nfs/dbraw/zinc/98/25/69/487982569.db2.gz OFDLJSOVHKFGSS-UWVGGRQHSA-N 1 2 217.259 1.797 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@H]1CCc2ccccc21 ZINC000682072361 487987144 /nfs/dbraw/zinc/98/71/44/487987144.db2.gz MCTLCRXBBJVFGR-LBPRGKRZSA-N 1 2 228.299 1.924 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1CCc2ccccc21 ZINC000682072361 487987147 /nfs/dbraw/zinc/98/71/47/487987147.db2.gz MCTLCRXBBJVFGR-LBPRGKRZSA-N 1 2 228.299 1.924 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523538 487988490 /nfs/dbraw/zinc/98/84/90/487988490.db2.gz XXSIJTBYPSXFBQ-IUCAKERBSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523538 487988493 /nfs/dbraw/zinc/98/84/93/487988493.db2.gz XXSIJTBYPSXFBQ-IUCAKERBSA-N 1 2 221.304 1.429 20 0 BDADLO C[NH+](C)C1(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000667370893 487988689 /nfs/dbraw/zinc/98/86/89/487988689.db2.gz OPZYQJIXISUBGB-UHFFFAOYSA-N 1 2 244.298 1.596 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2nccn2C)nc1 ZINC000400850952 487992163 /nfs/dbraw/zinc/99/21/63/487992163.db2.gz FZMINZUJHWUWLW-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO CC(C)(C)n1cc(CNc2c[nH]c[nH+]2)cn1 ZINC000309611462 487995354 /nfs/dbraw/zinc/99/53/54/487995354.db2.gz MTCJBAJQJFGGTB-UHFFFAOYSA-N 1 2 219.292 1.973 20 0 BDADLO Cc1ccoc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000668604959 487998079 /nfs/dbraw/zinc/99/80/79/487998079.db2.gz YIKHXIPQGVIGPR-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO COC(=O)[C@H]1CC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000603363428 488015633 /nfs/dbraw/zinc/01/56/33/488015633.db2.gz MNOFNWUECMEVAL-DTWKUNHWSA-N 1 2 238.262 1.396 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000667517938 488036282 /nfs/dbraw/zinc/03/62/82/488036282.db2.gz JWKFIRBXSBRSBB-MNOVXSKESA-N 1 2 235.331 1.439 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@H](OC)C1 ZINC000656118023 488051454 /nfs/dbraw/zinc/05/14/54/488051454.db2.gz GOXBDFQYRAYZQK-SNVBAGLBSA-N 1 2 237.303 1.409 20 0 BDADLO Cc1ccnc(COCc2[nH]cc[nH+]2)c1 ZINC000682860842 488055992 /nfs/dbraw/zinc/05/59/92/488055992.db2.gz RNZMQEIGNPOTGH-UHFFFAOYSA-N 1 2 203.245 1.830 20 0 BDADLO FC(F)C[NH2+]Cc1ccc2nccnc2c1 ZINC000147744900 488055872 /nfs/dbraw/zinc/05/58/72/488055872.db2.gz OQJUWDGRBLXBAU-UHFFFAOYSA-N 1 2 223.226 1.985 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078524 488061015 /nfs/dbraw/zinc/06/10/15/488061015.db2.gz CSZZSAQBBDRQHS-NXEZZACHSA-N 1 2 248.330 1.347 20 0 BDADLO CC[C@H](NC(=O)c1c(C)noc1C)c1[nH]cc[nH+]1 ZINC000140723523 488063772 /nfs/dbraw/zinc/06/37/72/488063772.db2.gz KOOHSRQZQCLQRV-VIFPVBQESA-N 1 2 248.286 1.896 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000640231865 488069486 /nfs/dbraw/zinc/06/94/86/488069486.db2.gz UZSHGKHXQVTPJX-UHFFFAOYSA-N 1 2 226.320 1.413 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1OC2CCC1CC2 ZINC000640231865 488069489 /nfs/dbraw/zinc/06/94/89/488069489.db2.gz UZSHGKHXQVTPJX-UHFFFAOYSA-N 1 2 226.320 1.413 20 0 BDADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccsc2Cl)C1 ZINC000682998427 488082083 /nfs/dbraw/zinc/08/20/83/488082083.db2.gz VZAMUXWXKCBYLD-DTORHVGOSA-N 1 2 247.747 1.329 20 0 BDADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccsc2Cl)C1 ZINC000682998427 488082086 /nfs/dbraw/zinc/08/20/86/488082086.db2.gz VZAMUXWXKCBYLD-DTORHVGOSA-N 1 2 247.747 1.329 20 0 BDADLO CC[C@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)C[C@@H]1O ZINC000677651067 488088797 /nfs/dbraw/zinc/08/87/97/488088797.db2.gz WBGSMIVRYYQXEK-ONGXEEELSA-N 1 2 246.314 1.473 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC12CCCC2 ZINC000527022712 488096347 /nfs/dbraw/zinc/09/63/47/488096347.db2.gz SXPMGTRVHCQYFW-NSHDSACASA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC12CCCC2 ZINC000527022712 488096354 /nfs/dbraw/zinc/09/63/54/488096354.db2.gz SXPMGTRVHCQYFW-NSHDSACASA-N 1 2 233.315 1.791 20 0 BDADLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)cc(C)n1 ZINC000337489504 488104632 /nfs/dbraw/zinc/10/46/32/488104632.db2.gz CQNYLOCGYRLVME-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH+]cn2C)no1 ZINC000296137527 487536790 /nfs/dbraw/zinc/53/67/90/487536790.db2.gz RTRKRWSJRDUJKC-UHFFFAOYSA-N 1 2 248.286 1.291 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+]([C@@H](C)c1ccncc1)C2 ZINC000674250725 487537194 /nfs/dbraw/zinc/53/71/94/487537194.db2.gz BPTVFBLRWVVBAH-JTQLQIEISA-N 1 2 243.314 1.558 20 0 BDADLO Cc1nc2n(n1)CC[N@H+]([C@@H](C)c1ccncc1)C2 ZINC000674250725 487537198 /nfs/dbraw/zinc/53/71/98/487537198.db2.gz BPTVFBLRWVVBAH-JTQLQIEISA-N 1 2 243.314 1.558 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732971 488111044 /nfs/dbraw/zinc/11/10/44/488111044.db2.gz MHOUASDQCSQVGS-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000677737461 488115255 /nfs/dbraw/zinc/11/52/55/488115255.db2.gz AXKUKTSDWUNYJP-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1C[C@H]1CCCO1 ZINC000677737461 488115256 /nfs/dbraw/zinc/11/52/56/488115256.db2.gz AXKUKTSDWUNYJP-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000677737462 488115786 /nfs/dbraw/zinc/11/57/86/488115786.db2.gz AXKUKTSDWUNYJP-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1CCCO1 ZINC000677737462 488115793 /nfs/dbraw/zinc/11/57/93/488115793.db2.gz AXKUKTSDWUNYJP-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO CCC[C@@H](C)S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000683186890 488125239 /nfs/dbraw/zinc/12/52/39/488125239.db2.gz VKADLPQUSUWOBS-LLVKDONJSA-N 1 2 248.392 1.142 20 0 BDADLO C[C@H](O)C1([NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000668697113 488127991 /nfs/dbraw/zinc/12/79/91/488127991.db2.gz AKKZARGSLBEBIP-VIFPVBQESA-N 1 2 231.299 1.566 20 0 BDADLO CC(C)(C)OCCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000683223600 488133932 /nfs/dbraw/zinc/13/39/32/488133932.db2.gz PUDKHNPGYPILAJ-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO CC(C)(C)OCCC[N@H+]1CCc2n[nH]nc2C1 ZINC000683223600 488133936 /nfs/dbraw/zinc/13/39/36/488133936.db2.gz PUDKHNPGYPILAJ-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000685565325 487547317 /nfs/dbraw/zinc/54/73/17/487547317.db2.gz GCYUVJJTJWUVNW-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CCO[C@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000685565325 487547320 /nfs/dbraw/zinc/54/73/20/487547320.db2.gz GCYUVJJTJWUVNW-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)C(=O)OC ZINC000336697708 487555840 /nfs/dbraw/zinc/55/58/40/487555840.db2.gz UWKPBCUYGJVTNY-YIZRAAEISA-N 1 2 217.334 1.422 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000685574917 487555971 /nfs/dbraw/zinc/55/59/71/487555971.db2.gz XVKYEFSNYCNBKW-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1ncccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000685574917 487555974 /nfs/dbraw/zinc/55/59/74/487555974.db2.gz XVKYEFSNYCNBKW-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1C ZINC000086011141 487471611 /nfs/dbraw/zinc/47/16/11/487471611.db2.gz ZDJLWWMCTBKXPC-NXEZZACHSA-N 1 2 206.289 1.666 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000669561196 487474384 /nfs/dbraw/zinc/47/43/84/487474384.db2.gz XIXDMBHECTYFRS-JTQLQIEISA-N 1 2 245.273 1.105 20 0 BDADLO CC[C@H](NC(=O)c1ccn(C)c1C)c1[nH]cc[nH+]1 ZINC000684980475 487481294 /nfs/dbraw/zinc/48/12/94/487481294.db2.gz DQXSRJGTLXUVJO-NSHDSACASA-N 1 2 246.314 1.938 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NCC1CCC1)CC2 ZINC000679891940 487481882 /nfs/dbraw/zinc/48/18/82/487481882.db2.gz QDZFZJBOQSHGFY-UHFFFAOYSA-N 1 2 248.330 1.517 20 0 BDADLO CCc1cc(N[C@@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000673933465 487483945 /nfs/dbraw/zinc/48/39/45/487483945.db2.gz UJDDMZAWNQBVRE-SNVBAGLBSA-N 1 2 234.303 1.072 20 0 BDADLO Cc1cc(CN2CCn3cc(C)[nH+]c3C2)on1 ZINC000679870057 487479284 /nfs/dbraw/zinc/47/92/84/487479284.db2.gz YQWFNRDVGXPGEE-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCN(C)C2=O)cc[nH+]1 ZINC000294960397 487479488 /nfs/dbraw/zinc/47/94/88/487479488.db2.gz OZGJKFVQYUBSJK-LLVKDONJSA-N 1 2 247.298 1.197 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000685003299 487485651 /nfs/dbraw/zinc/48/56/51/487485651.db2.gz VVSIVVFGUJBNOA-ZETCQYMHSA-N 1 2 246.261 1.223 20 0 BDADLO CN(C)c1noc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000685003299 487485658 /nfs/dbraw/zinc/48/56/58/487485658.db2.gz VVSIVVFGUJBNOA-ZETCQYMHSA-N 1 2 246.261 1.223 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1ccno1 ZINC000231884647 487486286 /nfs/dbraw/zinc/48/62/86/487486286.db2.gz PNDBOGHJQGRABB-UHFFFAOYSA-N 1 2 220.276 1.571 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000672152525 487490136 /nfs/dbraw/zinc/49/01/36/487490136.db2.gz JLVRUSLWQYPMGK-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO COC[C@H](C)C[N@H+](C)Cc1noc(C)n1 ZINC000674011060 487498564 /nfs/dbraw/zinc/49/85/64/487498564.db2.gz FECZLPCBJLXVMS-MRVPVSSYSA-N 1 2 213.281 1.092 20 0 BDADLO COC[C@H](C)C[N@@H+](C)Cc1noc(C)n1 ZINC000674011060 487498572 /nfs/dbraw/zinc/49/85/72/487498572.db2.gz FECZLPCBJLXVMS-MRVPVSSYSA-N 1 2 213.281 1.092 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000674009209 487498671 /nfs/dbraw/zinc/49/86/71/487498671.db2.gz HOXYETWHMBJBKR-CHWSQXEVSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000674009209 487498677 /nfs/dbraw/zinc/49/86/77/487498677.db2.gz HOXYETWHMBJBKR-CHWSQXEVSA-N 1 2 248.301 1.803 20 0 BDADLO Cn1cc(CNc2cc[nH+]c(C(C)(C)C)n2)nn1 ZINC000679932032 487496038 /nfs/dbraw/zinc/49/60/38/487496038.db2.gz SOCNOUWHHWBOCT-UHFFFAOYSA-N 1 2 246.318 1.515 20 0 BDADLO FC(F)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000674010042 487497733 /nfs/dbraw/zinc/49/77/33/487497733.db2.gz NSAKHKGFXLGAMM-JTQLQIEISA-N 1 2 235.274 1.521 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCOCC3)nn2c1CCC2 ZINC000668232089 487500055 /nfs/dbraw/zinc/50/00/55/487500055.db2.gz BPPPVMWGXIMJFJ-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO C[C@@H](CC(=O)N(C)c1ccn(C)n1)n1cc[nH+]c1 ZINC000572410303 487500476 /nfs/dbraw/zinc/50/04/76/487500476.db2.gz WFOYVVZSYHCMEG-JTQLQIEISA-N 1 2 247.302 1.231 20 0 BDADLO Cn1ccnc1C[N@H+](C)CC1=CCSC1 ZINC000662266806 487503329 /nfs/dbraw/zinc/50/33/29/487503329.db2.gz MVTVANCCOXWOQL-UHFFFAOYSA-N 1 2 223.345 1.525 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CC1=CCSC1 ZINC000662266806 487503333 /nfs/dbraw/zinc/50/33/33/487503333.db2.gz MVTVANCCOXWOQL-UHFFFAOYSA-N 1 2 223.345 1.525 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nn2)c(C)n1 ZINC000679994554 487511054 /nfs/dbraw/zinc/51/10/54/487511054.db2.gz XORBQSNLGSDYHD-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1nnc[nH]1 ZINC000679989910 487511515 /nfs/dbraw/zinc/51/15/15/487511515.db2.gz NZYHMUABHHAJSR-VIFPVBQESA-N 1 2 236.344 1.929 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1nnc[nH]1 ZINC000679989910 487511519 /nfs/dbraw/zinc/51/15/19/487511519.db2.gz NZYHMUABHHAJSR-VIFPVBQESA-N 1 2 236.344 1.929 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@H](C)c1nccn1C ZINC000394117863 487513239 /nfs/dbraw/zinc/51/32/39/487513239.db2.gz XZMIQMMBTSQCFV-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO COCC1(C)CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668233609 487508145 /nfs/dbraw/zinc/50/81/45/487508145.db2.gz FFKPSZFHVUQNQF-UHFFFAOYSA-N 1 2 235.331 1.298 20 0 BDADLO COCC1(C)C[NH+](Cc2ccnn2CC2CC2)C1 ZINC000668234083 487509090 /nfs/dbraw/zinc/50/90/90/487509090.db2.gz ZANYBANJMKQSOQ-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000134543824 487516817 /nfs/dbraw/zinc/51/68/17/487516817.db2.gz ZNKVNDAMEHCCFA-WPRPVWTQSA-N 1 2 209.293 1.548 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)CC1=CCSC1 ZINC000668774506 487519944 /nfs/dbraw/zinc/51/99/44/487519944.db2.gz AFBFUELGKGTWCU-UHFFFAOYSA-N 1 2 223.345 1.823 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)CC1=CCSC1 ZINC000668774506 487519948 /nfs/dbraw/zinc/51/99/48/487519948.db2.gz AFBFUELGKGTWCU-UHFFFAOYSA-N 1 2 223.345 1.823 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC(C(F)(F)F)C1 ZINC000669324907 487522841 /nfs/dbraw/zinc/52/28/41/487522841.db2.gz MIQQPSKRYWJNOV-UHFFFAOYSA-N 1 2 247.220 1.363 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H]2CO)s1 ZINC000680050844 487527332 /nfs/dbraw/zinc/52/73/32/487527332.db2.gz VGNJOTICLVJLLS-QMMMGPOBSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H]2CO)s1 ZINC000680050844 487527337 /nfs/dbraw/zinc/52/73/37/487527337.db2.gz VGNJOTICLVJLLS-QMMMGPOBSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000680050635 487527359 /nfs/dbraw/zinc/52/73/59/487527359.db2.gz BBOPCKCXDMRPIG-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@H](C)C2)s1 ZINC000680050635 487527360 /nfs/dbraw/zinc/52/73/60/487527360.db2.gz BBOPCKCXDMRPIG-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1cc(NC[C@@H]2CC[C@H](C)O2)nc[nH+]1 ZINC000397982309 488159251 /nfs/dbraw/zinc/15/92/51/488159251.db2.gz ILFJODLLPTUGPJ-ONGXEEELSA-N 1 2 221.304 1.440 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)on1 ZINC000674752722 487613019 /nfs/dbraw/zinc/61/30/19/487613019.db2.gz BUHKVZBOQSZGOA-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)on1 ZINC000674752722 487613020 /nfs/dbraw/zinc/61/30/20/487613020.db2.gz BUHKVZBOQSZGOA-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO c1cn(CCc2nc(C3CCC3)no2)c[nH+]1 ZINC000680693920 487634936 /nfs/dbraw/zinc/63/49/36/487634936.db2.gz OPLPBRCOFGJWAA-UHFFFAOYSA-N 1 2 218.260 1.776 20 0 BDADLO c1nc(N[C@H]2CCC[C@H]3C[C@H]32)c2c([nH+]1)NCCO2 ZINC000665739706 487672219 /nfs/dbraw/zinc/67/22/19/487672219.db2.gz ZSUXVBHCTSMWNJ-AEJSXWLSSA-N 1 2 246.314 1.881 20 0 BDADLO c1nc2c(c(N[C@H]3CCC[C@H]4C[C@H]43)[nH+]1)OCCN2 ZINC000665739706 487672223 /nfs/dbraw/zinc/67/22/23/487672223.db2.gz ZSUXVBHCTSMWNJ-AEJSXWLSSA-N 1 2 246.314 1.881 20 0 BDADLO Cc1ccoc1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668447801 487769839 /nfs/dbraw/zinc/76/98/39/487769839.db2.gz AFCSXIRSJLMSFA-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000678267176 487784886 /nfs/dbraw/zinc/78/48/86/487784886.db2.gz YWTINBKFIXVWEH-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678267176 487784890 /nfs/dbraw/zinc/78/48/90/487784890.db2.gz YWTINBKFIXVWEH-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO COc1ccc(CN(C)c2cc(C)[nH+]cn2)cn1 ZINC000676638652 487884751 /nfs/dbraw/zinc/88/47/51/487884751.db2.gz NSOCKFLBSZXVDT-UHFFFAOYSA-N 1 2 244.298 1.825 20 0 BDADLO Cc1cc(N2CCc3c[nH]nc3C2)nc[nH+]1 ZINC000676766700 487923944 /nfs/dbraw/zinc/92/39/44/487923944.db2.gz HKQOCYTYDFNTCS-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO c1ccc(N2CC[C@H](Nc3cccnn3)C2)[nH+]c1 ZINC000677125124 487976228 /nfs/dbraw/zinc/97/62/28/487976228.db2.gz JFWCGVDJPOOPQQ-NSHDSACASA-N 1 2 241.298 1.562 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cnco1 ZINC000677520762 488064186 /nfs/dbraw/zinc/06/41/86/488064186.db2.gz DVUDFZMUGJGPQF-UHFFFAOYSA-N 1 2 232.243 1.388 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1nc(C)no1 ZINC000677888752 488148574 /nfs/dbraw/zinc/14/85/74/488148574.db2.gz NQAYSJIMPTUWON-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1nc(C)no1 ZINC000677888752 488148576 /nfs/dbraw/zinc/14/85/76/488148576.db2.gz NQAYSJIMPTUWON-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cncs2)nn1 ZINC000404427029 488158652 /nfs/dbraw/zinc/15/86/52/488158652.db2.gz IRLTWDRPWTUZKF-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO Cc1nnc(CN(C)c2cccc[nH+]2)o1 ZINC000677950441 488164682 /nfs/dbraw/zinc/16/46/82/488164682.db2.gz RZZANLWULASMBH-UHFFFAOYSA-N 1 2 204.233 1.409 20 0 BDADLO Cc1cccn2c(NC(=O)NC[C@@H](C)O)c[nH+]c12 ZINC000667947899 488165567 /nfs/dbraw/zinc/16/55/67/488165567.db2.gz FZGIGFDHMRSQLK-SECBINFHSA-N 1 2 248.286 1.145 20 0 BDADLO FC(F)(F)[C@H]1COCCN1CCn1cc[nH+]c1 ZINC000677987771 488168935 /nfs/dbraw/zinc/16/89/35/488168935.db2.gz HYCLCRUERPRKCO-SECBINFHSA-N 1 2 249.236 1.146 20 0 BDADLO CNC(=O)CCC[N@@H+]1CCCC(F)(F)C1 ZINC000653778282 488179633 /nfs/dbraw/zinc/17/96/33/488179633.db2.gz QBDDKPIATHQZTC-UHFFFAOYSA-N 1 2 220.263 1.244 20 0 BDADLO CNC(=O)CCC[N@H+]1CCCC(F)(F)C1 ZINC000653778282 488179635 /nfs/dbraw/zinc/17/96/35/488179635.db2.gz QBDDKPIATHQZTC-UHFFFAOYSA-N 1 2 220.263 1.244 20 0 BDADLO Cc1occc1C[N@@H+]1CCc2nccnc2C1 ZINC000668734796 488180681 /nfs/dbraw/zinc/18/06/81/488180681.db2.gz SSTQZZWBFAWOPA-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1occc1C[N@H+]1CCc2nccnc2C1 ZINC000668734796 488180684 /nfs/dbraw/zinc/18/06/84/488180684.db2.gz SSTQZZWBFAWOPA-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC23CCOCC3)[nH]1 ZINC000683525827 488186959 /nfs/dbraw/zinc/18/69/59/488186959.db2.gz HRJWZQDIALDXDF-UHFFFAOYSA-N 1 2 236.319 1.122 20 0 BDADLO CCc1nnc(C[N@H+]2CCC23CCOCC3)[nH]1 ZINC000683525827 488186963 /nfs/dbraw/zinc/18/69/63/488186963.db2.gz HRJWZQDIALDXDF-UHFFFAOYSA-N 1 2 236.319 1.122 20 0 BDADLO CC[C@]1(C)CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000668035351 488192450 /nfs/dbraw/zinc/19/24/50/488192450.db2.gz JLVAFQZIIJRCQL-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO O=C(CCCF)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668089554 488201198 /nfs/dbraw/zinc/20/11/98/488201198.db2.gz XGYIUFRCSHDBOH-JTQLQIEISA-N 1 2 239.294 1.865 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000683673562 488206514 /nfs/dbraw/zinc/20/65/14/488206514.db2.gz YKGUTPXTYSAZKR-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1ccc(F)cc1C[N@H+](C)Cc1cn(C)nn1 ZINC000683673562 488206516 /nfs/dbraw/zinc/20/65/16/488206516.db2.gz YKGUTPXTYSAZKR-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cn2ccc(NC(=O)N[C@H](C)CO)cc2[nH+]1 ZINC000668150990 488210240 /nfs/dbraw/zinc/21/02/40/488210240.db2.gz NWSKBDDQEOTEEP-SECBINFHSA-N 1 2 248.286 1.145 20 0 BDADLO CC1(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CCC1 ZINC000683715323 488211459 /nfs/dbraw/zinc/21/14/59/488211459.db2.gz PHDYCUIIROMENO-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO CC1(C[N@H+]2C[C@@H](O)CC(F)(F)C2)CCC1 ZINC000683715323 488211462 /nfs/dbraw/zinc/21/14/62/488211462.db2.gz PHDYCUIIROMENO-VIFPVBQESA-N 1 2 219.275 1.879 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cncc(C)c2)o1 ZINC000231653424 488220193 /nfs/dbraw/zinc/22/01/93/488220193.db2.gz AKEHDURAECLYCK-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC12CCOCC2 ZINC000683789213 488223351 /nfs/dbraw/zinc/22/33/51/488223351.db2.gz ZSCQJABLHMVTMO-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC12CCOCC2 ZINC000683789213 488223355 /nfs/dbraw/zinc/22/33/55/488223355.db2.gz ZSCQJABLHMVTMO-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO O[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC(F)(F)C1 ZINC000683839569 488230243 /nfs/dbraw/zinc/23/02/43/488230243.db2.gz LGEDMTDULNTAKC-IUCAKERBSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC(F)(F)C1 ZINC000683839569 488230245 /nfs/dbraw/zinc/23/02/45/488230245.db2.gz LGEDMTDULNTAKC-IUCAKERBSA-N 1 2 237.315 1.441 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]2C[C@@H]21 ZINC000672121771 488237754 /nfs/dbraw/zinc/23/77/54/488237754.db2.gz IZJHKBUPSDNOPR-WZRBSPASSA-N 1 2 245.326 1.456 20 0 BDADLO CC(=O)Nc1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC000683895936 488239032 /nfs/dbraw/zinc/23/90/32/488239032.db2.gz RQABACCNRUMUTE-UHFFFAOYSA-N 1 2 234.299 1.212 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148626 488241077 /nfs/dbraw/zinc/24/10/77/488241077.db2.gz SUUOVRVLMSOCGJ-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccccn1 ZINC000672144648 488241085 /nfs/dbraw/zinc/24/10/85/488241085.db2.gz BZVKFSZQXABEPW-SNVBAGLBSA-N 1 2 242.282 1.023 20 0 BDADLO COC1(C[N@H+](C)Cc2noc(C)n2)CCCC1 ZINC000683899928 488241980 /nfs/dbraw/zinc/24/19/80/488241980.db2.gz MJRZVVHKRVKKBC-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO COC1(C[N@@H+](C)Cc2noc(C)n2)CCCC1 ZINC000683899928 488241983 /nfs/dbraw/zinc/24/19/83/488241983.db2.gz MJRZVVHKRVKKBC-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149207 488242045 /nfs/dbraw/zinc/24/20/45/488242045.db2.gz IWJGEMQNVDXSDE-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CC1=C(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000672149338 488242076 /nfs/dbraw/zinc/24/20/76/488242076.db2.gz MDLZPMMTOQTLTI-NSHDSACASA-N 1 2 245.326 1.815 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155072 488242459 /nfs/dbraw/zinc/24/24/59/488242459.db2.gz XDQKWLWKPRMYOC-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC=CCC1 ZINC000672156847 488242698 /nfs/dbraw/zinc/24/26/98/488242698.db2.gz VTPJHLUWXOQEMT-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n(C)n1 ZINC000683917473 488243933 /nfs/dbraw/zinc/24/39/33/488243933.db2.gz HXRBOFQCZVDNFB-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n(C)n1 ZINC000683917473 488243935 /nfs/dbraw/zinc/24/39/35/488243935.db2.gz HXRBOFQCZVDNFB-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO c1cc(-c2ccc(C[NH2+]Cc3cocn3)o2)n[nH]1 ZINC000683926836 488246385 /nfs/dbraw/zinc/24/63/85/488246385.db2.gz GNLJJAGKHMPUNQ-UHFFFAOYSA-N 1 2 244.254 1.948 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000672344169 488252523 /nfs/dbraw/zinc/25/25/23/488252523.db2.gz UGXNGTKFKLCCPQ-WDEREUQCSA-N 1 2 221.304 1.578 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC12CCC2 ZINC000684092891 488265863 /nfs/dbraw/zinc/26/58/63/488265863.db2.gz DWMSNLGQLJTYPJ-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC12CCC2 ZINC000684092891 488265865 /nfs/dbraw/zinc/26/58/65/488265865.db2.gz DWMSNLGQLJTYPJ-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C2CCCC1CCC2 ZINC000672931795 488269394 /nfs/dbraw/zinc/26/93/94/488269394.db2.gz GWOHWDAKGWXRAQ-UHFFFAOYSA-N 1 2 247.342 1.896 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)C(=O)NC(C)(C)C ZINC000678787198 488282631 /nfs/dbraw/zinc/28/26/31/488282631.db2.gz CBJDTGZHSHUZQM-MRVPVSSYSA-N 1 2 239.294 1.358 20 0 BDADLO CC(C)NC(=O)CN(C)c1cc[nH+]cc1F ZINC000678789340 488283963 /nfs/dbraw/zinc/28/39/63/488283963.db2.gz YTBHCTZZLLNCOX-UHFFFAOYSA-N 1 2 225.267 1.182 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC=C(F)C2)cc1=O ZINC000679320809 488335482 /nfs/dbraw/zinc/33/54/82/488335482.db2.gz PAJPGCBPURELQI-UHFFFAOYSA-N 1 2 222.263 1.444 20 0 BDADLO Cn1ccc(C[N@H+]2CCC=C(F)C2)cc1=O ZINC000679320809 488335483 /nfs/dbraw/zinc/33/54/83/488335483.db2.gz PAJPGCBPURELQI-UHFFFAOYSA-N 1 2 222.263 1.444 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cn[nH]c2)nc1 ZINC000678887249 488293950 /nfs/dbraw/zinc/29/39/50/488293950.db2.gz PBFCZMJBJLKWMG-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cn[nH]c2)nc1 ZINC000678887249 488293953 /nfs/dbraw/zinc/29/39/53/488293953.db2.gz PBFCZMJBJLKWMG-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO O=C(C[N@H+]1CC=CCC1)Nc1nccs1 ZINC000679321401 488336107 /nfs/dbraw/zinc/33/61/07/488336107.db2.gz AYMXNWFOOINKIQ-UHFFFAOYSA-N 1 2 223.301 1.344 20 0 BDADLO O=C(C[N@@H+]1CC=CCC1)Nc1nccs1 ZINC000679321401 488336109 /nfs/dbraw/zinc/33/61/09/488336109.db2.gz AYMXNWFOOINKIQ-UHFFFAOYSA-N 1 2 223.301 1.344 20 0 BDADLO CC(C)(NC(=O)CCn1cc[nH+]c1)C(F)F ZINC000684339303 488294754 /nfs/dbraw/zinc/29/47/54/488294754.db2.gz DECUPFCBPVTKRA-UHFFFAOYSA-N 1 2 231.246 1.433 20 0 BDADLO O=C(CCC(F)F)NCCCn1cc[nH+]c1 ZINC000684355292 488299065 /nfs/dbraw/zinc/29/90/65/488299065.db2.gz VITNNCREJPWZAB-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1CCCC1 ZINC000673634920 488299391 /nfs/dbraw/zinc/29/93/91/488299391.db2.gz DWJKIHTXQPFPRG-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1Cc2ccccc21 ZINC000673643470 488299908 /nfs/dbraw/zinc/29/99/08/488299908.db2.gz RRDAZUVLHSOQTN-LBPRGKRZSA-N 1 2 241.294 1.339 20 0 BDADLO CC(C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000684381330 488303401 /nfs/dbraw/zinc/30/34/01/488303401.db2.gz BRRAJAMRVFITRY-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC(C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000684381330 488303404 /nfs/dbraw/zinc/30/34/04/488303404.db2.gz BRRAJAMRVFITRY-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C1=CC[N@H+](Cc2nc(C3CC3)no2)CC1 ZINC000679323201 488336954 /nfs/dbraw/zinc/33/69/54/488336954.db2.gz GJLKPWHETXBCOO-UHFFFAOYSA-N 1 2 205.261 1.709 20 0 BDADLO C1=CC[N@@H+](Cc2nc(C3CC3)no2)CC1 ZINC000679323201 488336955 /nfs/dbraw/zinc/33/69/55/488336955.db2.gz GJLKPWHETXBCOO-UHFFFAOYSA-N 1 2 205.261 1.709 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc[nH]c1=O ZINC000684421471 488310063 /nfs/dbraw/zinc/31/00/63/488310063.db2.gz POHSKBBSOJPZNA-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc[nH]c1=O ZINC000684421471 488310065 /nfs/dbraw/zinc/31/00/65/488310065.db2.gz POHSKBBSOJPZNA-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCC1 ZINC000684468078 488317269 /nfs/dbraw/zinc/31/72/69/488317269.db2.gz MVHMWQFGVTXGEJ-SNVBAGLBSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@H]1F ZINC000679225892 488321863 /nfs/dbraw/zinc/32/18/63/488321863.db2.gz YTBYHQZMAFDFGS-ZYHUDNBSSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@H]1F ZINC000679225892 488321866 /nfs/dbraw/zinc/32/18/66/488321866.db2.gz YTBYHQZMAFDFGS-ZYHUDNBSSA-N 1 2 242.338 1.725 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC(C)(C)C(F)F ZINC000684595229 488330208 /nfs/dbraw/zinc/33/02/08/488330208.db2.gz XGPQYRDFRDAIGK-UHFFFAOYSA-N 1 2 241.245 1.819 20 0 BDADLO CCc1cc(NCc2ncnn2CC)nc[nH+]1 ZINC000684600942 488330936 /nfs/dbraw/zinc/33/09/36/488330936.db2.gz PNIPPLXUTKUJDZ-UHFFFAOYSA-N 1 2 232.291 1.263 20 0 BDADLO CC1(F)C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000684607078 488331224 /nfs/dbraw/zinc/33/12/24/488331224.db2.gz FBAKCBYJCNBOLZ-LLVKDONJSA-N 1 2 215.312 1.971 20 0 BDADLO Cc1cc(NC(=O)NCCF)c(C)c[nH+]1 ZINC000684777929 488342029 /nfs/dbraw/zinc/34/20/29/488342029.db2.gz LNLNSIFRECJDMA-UHFFFAOYSA-N 1 2 211.240 1.211 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684821081 488346403 /nfs/dbraw/zinc/34/64/03/488346403.db2.gz MYRWOAHKCFTZJP-SCZZXKLOSA-N 1 2 215.256 1.929 20 0 BDADLO CCC(C)(C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000684900498 488351251 /nfs/dbraw/zinc/35/12/51/488351251.db2.gz JEQUNFFBGBUUCO-UHFFFAOYSA-N 1 2 238.335 1.713 20 0 BDADLO Cc1nc(NCc2cn[nH]n2)c2c([nH+]1)CCCC2 ZINC000679838660 488367881 /nfs/dbraw/zinc/36/78/81/488367881.db2.gz CNUAQWPRYCDDKQ-UHFFFAOYSA-N 1 2 244.302 1.394 20 0 BDADLO Cc1nc(NCc2c[nH]nn2)c2c([nH+]1)CCCC2 ZINC000679838660 488367883 /nfs/dbraw/zinc/36/78/83/488367883.db2.gz CNUAQWPRYCDDKQ-UHFFFAOYSA-N 1 2 244.302 1.394 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)CO1 ZINC000668284436 490085768 /nfs/dbraw/zinc/08/57/68/490085768.db2.gz MJMSZIMJYFHFKQ-YPMHNXCESA-N 1 2 249.358 1.829 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1(CO)CC1 ZINC000121868376 490111658 /nfs/dbraw/zinc/11/16/58/490111658.db2.gz CRIMVFQPHCIREO-UHFFFAOYSA-N 1 2 235.287 1.284 20 0 BDADLO COc1cc(C)nc(NCCCn2cc[nH+]c2)n1 ZINC000124352612 490354693 /nfs/dbraw/zinc/35/46/93/490354693.db2.gz JQPCQMMYIHEWIT-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000124854727 490406057 /nfs/dbraw/zinc/40/60/57/490406057.db2.gz QRWOHMFHDZEFHW-CYBMUJFWSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cncnc1 ZINC000124854727 490406063 /nfs/dbraw/zinc/40/60/63/490406063.db2.gz QRWOHMFHDZEFHW-CYBMUJFWSA-N 1 2 235.331 1.724 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000130824631 490454233 /nfs/dbraw/zinc/45/42/33/490454233.db2.gz LNVNYPGVVKSDHR-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(N(C)C)nc2)[C@@H]1C ZINC000126550689 490503936 /nfs/dbraw/zinc/50/39/36/490503936.db2.gz GNRZSFGKVYROPP-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(N(C)C)nc2)[C@@H]1C ZINC000126550689 490503937 /nfs/dbraw/zinc/50/39/37/490503937.db2.gz GNRZSFGKVYROPP-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(N(C)C)nc2)[C@H]1C ZINC000126550912 490506619 /nfs/dbraw/zinc/50/66/19/490506619.db2.gz GNRZSFGKVYROPP-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(N(C)C)nc2)[C@H]1C ZINC000126550912 490506625 /nfs/dbraw/zinc/50/66/25/490506625.db2.gz GNRZSFGKVYROPP-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO Cc1nc(NCc2csc(N(C)C)n2)cc[nH+]1 ZINC000080693133 490649142 /nfs/dbraw/zinc/64/91/42/490649142.db2.gz WVHRASKODQOJQT-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CCc1cc(NC[C@@H](COC)OC)nc[nH+]1 ZINC000227700641 491064507 /nfs/dbraw/zinc/06/45/07/491064507.db2.gz NQAZWHFAYWTSPN-JTQLQIEISA-N 1 2 225.292 1.112 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccc(O)c2)o1 ZINC000227084298 491054967 /nfs/dbraw/zinc/05/49/67/491054967.db2.gz NJDLAECBAJYOAV-UHFFFAOYSA-N 1 2 218.256 1.978 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH+]1CC(C)(CO)C1 ZINC000668233738 491085052 /nfs/dbraw/zinc/08/50/52/491085052.db2.gz KNSZEEQGFCQOCH-UHFFFAOYSA-N 1 2 235.331 1.112 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@H+](Cc3noc(C4CC4)n3)C[C@@H]12 ZINC000228104669 491090471 /nfs/dbraw/zinc/09/04/71/491090471.db2.gz KXKHVLPHYCGJLR-HBNTYKKESA-N 1 2 249.314 1.150 20 0 BDADLO O[C@@H]1CC[C@H]2C[N@@H+](Cc3noc(C4CC4)n3)C[C@@H]12 ZINC000228104669 491090472 /nfs/dbraw/zinc/09/04/72/491090472.db2.gz KXKHVLPHYCGJLR-HBNTYKKESA-N 1 2 249.314 1.150 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CCCCO ZINC000567124128 491091303 /nfs/dbraw/zinc/09/13/03/491091303.db2.gz ZRIOJRCZSJMICE-UHFFFAOYSA-N 1 2 209.293 1.302 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nccn2C)nc1 ZINC000087782399 491092114 /nfs/dbraw/zinc/09/21/14/491092114.db2.gz HPBPZVPQDYWDTH-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO COc1ccc(F)c(NC(=O)Cn2cc[nH+]c2)c1 ZINC000088304393 491096211 /nfs/dbraw/zinc/09/62/11/491096211.db2.gz SYGYEQDEPSKMMR-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO Cc1ccccc1OCC(=O)NCc1c[nH+]c[nH]1 ZINC000088753290 491108260 /nfs/dbraw/zinc/10/82/60/491108260.db2.gz PJPOPHWRMHMWSJ-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO Cc1ccccc1OCC(=O)NCc1c[nH]c[nH+]1 ZINC000088753290 491108261 /nfs/dbraw/zinc/10/82/61/491108261.db2.gz PJPOPHWRMHMWSJ-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2n[nH]cc2c1 ZINC000088759185 491108551 /nfs/dbraw/zinc/10/85/51/491108551.db2.gz XZDJAODRDBHFTF-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2n[nH]cc2c1 ZINC000088759185 491108552 /nfs/dbraw/zinc/10/85/52/491108552.db2.gz XZDJAODRDBHFTF-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089154105 491109511 /nfs/dbraw/zinc/10/95/11/491109511.db2.gz KNWIOIRRYJATHD-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089154105 491109513 /nfs/dbraw/zinc/10/95/13/491109513.db2.gz KNWIOIRRYJATHD-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000661084923 491128013 /nfs/dbraw/zinc/12/80/13/491128013.db2.gz GTQQFLPHCXHBMX-NXEZZACHSA-N 1 2 238.335 1.145 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000091661637 491131472 /nfs/dbraw/zinc/13/14/72/491131472.db2.gz YYVGQNMBISWLHB-LBPRGKRZSA-N 1 2 242.326 1.982 20 0 BDADLO COc1ccc[nH+]c1NCc1cocn1 ZINC000309082272 491144395 /nfs/dbraw/zinc/14/43/95/491144395.db2.gz RJCBQAMUZTYMNV-UHFFFAOYSA-N 1 2 205.217 1.690 20 0 BDADLO CC[C@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000134312283 491163049 /nfs/dbraw/zinc/16/30/49/491163049.db2.gz LLPWRNATUYWBBN-JTQLQIEISA-N 1 2 223.320 1.721 20 0 BDADLO O=C(NC/C=C\Cl)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000891199302 582625137 /nfs/dbraw/zinc/62/51/37/582625137.db2.gz PBRSXHJOXCOMBF-HEZXMNBVSA-N 1 2 239.706 1.383 20 0 BDADLO O=C(NC/C=C\Cl)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000891199302 582625140 /nfs/dbraw/zinc/62/51/40/582625140.db2.gz PBRSXHJOXCOMBF-HEZXMNBVSA-N 1 2 239.706 1.383 20 0 BDADLO COC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000491635977 534001837 /nfs/dbraw/zinc/00/18/37/534001837.db2.gz YUGSNNYGBIBOHH-UHFFFAOYSA-N 1 2 240.225 1.323 20 0 BDADLO C[C@@H]1CC(NC(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000493743826 534148049 /nfs/dbraw/zinc/14/80/49/534148049.db2.gz XDEUZPGQPPHJEE-HIHHVFROSA-N 1 2 249.314 1.495 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@@H](C)O1 ZINC000352050774 535866714 /nfs/dbraw/zinc/86/67/14/535866714.db2.gz VAQWUPQBYHCFKM-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@]1(CO)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000275012821 535950147 /nfs/dbraw/zinc/95/01/47/535950147.db2.gz JSVICJLSMCOUAV-ZDUSSCGKSA-N 1 2 235.331 1.774 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000475622985 534230811 /nfs/dbraw/zinc/23/08/11/534230811.db2.gz WSKMLBKDVZHCHF-KGYLQXTDSA-N 1 2 233.311 1.941 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)[C@@H]2CCOC2)c1Cl ZINC000891936373 582740606 /nfs/dbraw/zinc/74/06/06/582740606.db2.gz XOKYWYRFYDBFMJ-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)[C@@H]2CCOC2)c1Cl ZINC000891936373 582740608 /nfs/dbraw/zinc/74/06/08/582740608.db2.gz XOKYWYRFYDBFMJ-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO CNC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000891944511 582742719 /nfs/dbraw/zinc/74/27/19/582742719.db2.gz MCVUYPZFKUMOHM-UHFFFAOYSA-N 1 2 218.260 1.072 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492869693 534251288 /nfs/dbraw/zinc/25/12/88/534251288.db2.gz VCITZGDXHLLNEK-QKMQQOOLSA-N 1 2 235.287 1.059 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](F)C1 ZINC000493134231 534800887 /nfs/dbraw/zinc/80/08/87/534800887.db2.gz UZLOWHIYLWAJEB-ZBJFTSOASA-N 1 2 223.251 1.383 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCSCC1 ZINC000493773087 534801075 /nfs/dbraw/zinc/80/10/75/534801075.db2.gz VWSXUSZISJSDMU-IHWYPQMZSA-N 1 2 237.328 1.388 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000493348226 534803808 /nfs/dbraw/zinc/80/38/08/534803808.db2.gz DNJIMZSYZSFCDH-MZBUWZLFSA-N 1 2 247.298 1.107 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cncc(F)c1 ZINC000492864713 534804822 /nfs/dbraw/zinc/80/48/22/534804822.db2.gz NVLVAESSDUXWTH-UPHRSURJSA-N 1 2 232.218 1.596 20 0 BDADLO Cc1nc(C)c(CNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000493566878 534882432 /nfs/dbraw/zinc/88/24/32/534882432.db2.gz YXTYFUPSHMVLBM-ARJAWSKDSA-N 1 2 246.270 1.344 20 0 BDADLO CC(C)(NC(=O)/C=C/C1CC1)c1[nH]cc[nH+]1 ZINC000493569816 527262072 /nfs/dbraw/zinc/26/20/72/527262072.db2.gz VZABNYLSTPSESQ-AATRIKPKSA-N 1 2 219.288 1.727 20 0 BDADLO CC(C)(O)C(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492768684 527309990 /nfs/dbraw/zinc/30/99/90/527309990.db2.gz PCALORKQELUGQD-WAYWQWQTSA-N 1 2 237.303 1.089 20 0 BDADLO C/C=C/C=C/C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000493087191 527581779 /nfs/dbraw/zinc/58/17/79/527581779.db2.gz ATNWOAYGBHYBKO-PQSAUHCHSA-N 1 2 244.285 1.480 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493295464 527707399 /nfs/dbraw/zinc/70/73/99/527707399.db2.gz PIAIZACUWCFASO-CDAZIORVSA-N 1 2 219.288 1.585 20 0 BDADLO CCO[C@@H]1CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493437619 527745490 /nfs/dbraw/zinc/74/54/90/527745490.db2.gz WFWXMAFTMDIHKB-BYAJROORSA-N 1 2 249.314 1.497 20 0 BDADLO CCC1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492762562 527804011 /nfs/dbraw/zinc/80/40/11/527804011.db2.gz HUPBKRAWWZYQAL-ARJAWSKDSA-N 1 2 249.314 1.186 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@]2(C)CCO[C@@H]2C)no1 ZINC000494222842 528284323 /nfs/dbraw/zinc/28/43/23/528284323.db2.gz IULZSSXQUMKGAF-SKDRFNHKSA-N 1 2 239.319 1.850 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493856692 528400135 /nfs/dbraw/zinc/40/01/35/528400135.db2.gz OVDKPRXPPNWDKO-BRAIEQGRSA-N 1 2 221.304 1.926 20 0 BDADLO CCOC=CC(=O)Nc1cc[nH+]cc1C ZINC000493622550 528518971 /nfs/dbraw/zinc/51/89/71/528518971.db2.gz ZCIGAQGJQUMSTE-ALCCZGGFSA-N 1 2 206.245 1.301 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493078304 528791945 /nfs/dbraw/zinc/79/19/45/528791945.db2.gz ZWULJIKXCRTGTC-SEUFLZDSSA-N 1 2 233.315 1.831 20 0 BDADLO CC(C)N(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492864709 528865869 /nfs/dbraw/zinc/86/58/69/528865869.db2.gz NVJLCFBMLNGDPF-ARJAWSKDSA-N 1 2 243.257 1.925 20 0 BDADLO CC[C@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493681659 529240003 /nfs/dbraw/zinc/24/00/03/529240003.db2.gz CIXBMAMTYIQDMO-XOULXFPDSA-N 1 2 205.261 1.434 20 0 BDADLO CC[C@H]1CCN1C(=O)/C=C\c1[nH+]ccn1CC ZINC000492853613 529240074 /nfs/dbraw/zinc/24/00/74/529240074.db2.gz ONYXRMOWVONDTI-GZTOBOFZSA-N 1 2 233.315 1.927 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccccn1 ZINC000495230257 529264048 /nfs/dbraw/zinc/26/40/48/529264048.db2.gz MBCIFUTZIGWFHH-CYBMUJFWSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccccn1 ZINC000495230257 529264049 /nfs/dbraw/zinc/26/40/49/529264049.db2.gz MBCIFUTZIGWFHH-CYBMUJFWSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000493862409 529346952 /nfs/dbraw/zinc/34/69/52/529346952.db2.gz YXBNREDDJSZNJF-XKFHPXPTSA-N 1 2 249.314 1.449 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@H]1CCCCO1 ZINC000335937777 534941379 /nfs/dbraw/zinc/94/13/79/534941379.db2.gz OXYBLZJPNHKYNG-BZNIZROVSA-N 1 2 245.388 1.398 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@H]1CCCCO1 ZINC000335937777 534941382 /nfs/dbraw/zinc/94/13/82/534941382.db2.gz OXYBLZJPNHKYNG-BZNIZROVSA-N 1 2 245.388 1.398 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000171144978 534967575 /nfs/dbraw/zinc/96/75/75/534967575.db2.gz UJYYAZXEXLPNBA-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000171144978 534967579 /nfs/dbraw/zinc/96/75/79/534967579.db2.gz UJYYAZXEXLPNBA-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171966207 535143304 /nfs/dbraw/zinc/14/33/04/535143304.db2.gz NJAADZYAXXQBQJ-NWDGAFQWSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)[NH+]1CCN(CC2CCC(=O)CC2)CC1 ZINC000336001447 535197921 /nfs/dbraw/zinc/19/79/21/535197921.db2.gz YPEHFZLMVNOCPA-UHFFFAOYSA-N 1 2 238.375 1.772 20 0 BDADLO CC/C=C/CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000295052038 535244925 /nfs/dbraw/zinc/24/49/25/535244925.db2.gz UQBLOBMIGUULNE-ONEGZZNKSA-N 1 2 248.330 1.691 20 0 BDADLO CC/C=C/CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000295052038 535244927 /nfs/dbraw/zinc/24/49/27/535244927.db2.gz UQBLOBMIGUULNE-ONEGZZNKSA-N 1 2 248.330 1.691 20 0 BDADLO CCN1CC[N@H+](Cc2ncccc2C)[C@H](C)C1=O ZINC000336107542 535722127 /nfs/dbraw/zinc/72/21/27/535722127.db2.gz PPAFZEBQXWQILH-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ncccc2C)[C@H](C)C1=O ZINC000336107542 535722132 /nfs/dbraw/zinc/72/21/32/535722132.db2.gz PPAFZEBQXWQILH-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCOC(=O)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000259415706 535734458 /nfs/dbraw/zinc/73/44/58/535734458.db2.gz MLYGHFWBNUACPS-VIFPVBQESA-N 1 2 223.276 1.539 20 0 BDADLO CCO[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000042424488 535745693 /nfs/dbraw/zinc/74/56/93/535745693.db2.gz JWPUGHOTBUWGLD-GFCCVEGCSA-N 1 2 236.315 1.579 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000173764160 535813326 /nfs/dbraw/zinc/81/33/26/535813326.db2.gz CJFTYHWCHQBVBO-NEPJUHHUSA-N 1 2 239.315 1.732 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000173764160 535813327 /nfs/dbraw/zinc/81/33/27/535813327.db2.gz CJFTYHWCHQBVBO-NEPJUHHUSA-N 1 2 239.315 1.732 20 0 BDADLO CC[C@](C)(CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000183344991 535832242 /nfs/dbraw/zinc/83/22/42/535832242.db2.gz NSQULUXTYKDICS-CYBMUJFWSA-N 1 2 247.298 1.225 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000086765799 535866466 /nfs/dbraw/zinc/86/64/66/535866466.db2.gz QAWAWPSCRNOFEU-MRVPVSSYSA-N 1 2 227.333 1.336 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000086765799 535866473 /nfs/dbraw/zinc/86/64/73/535866473.db2.gz QAWAWPSCRNOFEU-MRVPVSSYSA-N 1 2 227.333 1.336 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@@H](C)O1 ZINC000352050774 535866710 /nfs/dbraw/zinc/86/67/10/535866710.db2.gz VAQWUPQBYHCFKM-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]([NH2+]C1C(C)(C)C1(C)C)C(=O)OC ZINC000168383361 535892983 /nfs/dbraw/zinc/89/29/83/535892983.db2.gz UHDYVQXQOYQFBC-QMMMGPOBSA-N 1 2 213.321 1.962 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000335306896 535930066 /nfs/dbraw/zinc/93/00/66/535930066.db2.gz UTYLVXMALLXLIQ-DGCLKSJQSA-N 1 2 233.315 1.662 20 0 BDADLO CN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000336185758 536043697 /nfs/dbraw/zinc/04/36/97/536043697.db2.gz HCZMFFBRKLRMMF-JTQLQIEISA-N 1 2 236.319 1.360 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)CCOC1 ZINC000335871306 536086299 /nfs/dbraw/zinc/08/62/99/536086299.db2.gz BUKRLMWPNAKPTI-CYBMUJFWSA-N 1 2 234.299 1.431 20 0 BDADLO CCc1cc(N2CCO[C@@H](C)[C@H]2C)nc(C)[nH+]1 ZINC000272917037 536148136 /nfs/dbraw/zinc/14/81/36/536148136.db2.gz SNKILJYTEKANOQ-ZJUUUORDSA-N 1 2 235.331 1.961 20 0 BDADLO COC[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342533246 536553773 /nfs/dbraw/zinc/55/37/73/536553773.db2.gz CUWFUDMFMPPVRZ-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO COC[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342533246 536553780 /nfs/dbraw/zinc/55/37/80/536553780.db2.gz CUWFUDMFMPPVRZ-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335728485 536627959 /nfs/dbraw/zinc/62/79/59/536627959.db2.gz PCUSFUAIHJNSEW-SFYZADRCSA-N 1 2 221.247 1.525 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335728485 536627964 /nfs/dbraw/zinc/62/79/64/536627964.db2.gz PCUSFUAIHJNSEW-SFYZADRCSA-N 1 2 221.247 1.525 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccoc1 ZINC000084093932 536645256 /nfs/dbraw/zinc/64/52/56/536645256.db2.gz HIYUCOSGBITIPS-NSHDSACASA-N 1 2 223.272 1.663 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccoc1 ZINC000084093932 536645261 /nfs/dbraw/zinc/64/52/61/536645261.db2.gz HIYUCOSGBITIPS-NSHDSACASA-N 1 2 223.272 1.663 20 0 BDADLO CO[C@@H]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000336146379 536670035 /nfs/dbraw/zinc/67/00/35/536670035.db2.gz MORIOJMEFQLPBA-LLVKDONJSA-N 1 2 249.314 1.951 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccco1)C1CC1 ZINC000227767609 536736307 /nfs/dbraw/zinc/73/63/07/536736307.db2.gz JZCRBHLNMKWAKK-LLVKDONJSA-N 1 2 223.272 1.363 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@@H](C)O ZINC000253354462 536745398 /nfs/dbraw/zinc/74/53/98/536745398.db2.gz DYGMDHUZEXHYOD-OUAUKWLOSA-N 1 2 243.347 1.467 20 0 BDADLO CC(=O)C1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001332148772 974977517 /nfs/dbraw/zinc/97/75/17/974977517.db2.gz NXENFUJTFPNACD-SECBINFHSA-N 1 2 235.287 1.072 20 0 BDADLO CCc1cc(N[C@@H]2CCOC2)nc(CC)[nH+]1 ZINC000892953570 583018081 /nfs/dbraw/zinc/01/80/81/583018081.db2.gz BFSBXMFFRJGFGE-SNVBAGLBSA-N 1 2 221.304 1.802 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccon2)nc1 ZINC000893098631 583049165 /nfs/dbraw/zinc/04/91/65/583049165.db2.gz PZQJSOKGFVZJLK-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CCc1cc(N(C)C2CC(O)C2)nc(CC)[nH+]1 ZINC000893167943 583062504 /nfs/dbraw/zinc/06/25/04/583062504.db2.gz PZQAIUIWNRFFFD-UHFFFAOYSA-N 1 2 235.331 1.561 20 0 BDADLO CNc1cc(NC[C@H]2CCC=CO2)[nH+]cn1 ZINC000893368041 583127645 /nfs/dbraw/zinc/12/76/45/583127645.db2.gz PAAQTLNDDMDWQQ-SECBINFHSA-N 1 2 220.276 1.623 20 0 BDADLO CC(C)C[C@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893803421 583226816 /nfs/dbraw/zinc/22/68/16/583226816.db2.gz QVHKCJARQVVBSZ-JTQLQIEISA-N 1 2 238.335 1.654 20 0 BDADLO Cc1coc(C[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000893911825 583246313 /nfs/dbraw/zinc/24/63/13/583246313.db2.gz YGYSWXVHCHLSLV-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO Cc1coc(C[N@@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000893911825 583246315 /nfs/dbraw/zinc/24/63/15/583246315.db2.gz YGYSWXVHCHLSLV-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO C[C@@H](NC(=S)NC1(C)CC1)c1[nH+]ccn1C ZINC000853044386 588717654 /nfs/dbraw/zinc/71/76/54/588717654.db2.gz ITNPKCYKFREKBA-MRVPVSSYSA-N 1 2 238.360 1.498 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cnc(F)cn1 ZINC000853156363 588723155 /nfs/dbraw/zinc/72/31/55/588723155.db2.gz PZKWRKVLGSQZJQ-MRVPVSSYSA-N 1 2 221.239 1.313 20 0 BDADLO C[C@@H](CNc1cc(F)ncn1)Cn1cc[nH+]c1 ZINC000853189532 588723963 /nfs/dbraw/zinc/72/39/63/588723963.db2.gz WOLDOXICYHKOQR-VIFPVBQESA-N 1 2 235.266 1.560 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCOC2=S)C[C@H](C)O1 ZINC000111168050 588725884 /nfs/dbraw/zinc/72/58/84/588725884.db2.gz QDNJNHXEMLZMKG-VHSXEESVSA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCOC2=S)C[C@H](C)O1 ZINC000111168050 588725885 /nfs/dbraw/zinc/72/58/85/588725885.db2.gz QDNJNHXEMLZMKG-VHSXEESVSA-N 1 2 244.360 1.060 20 0 BDADLO Fc1cc(N2CCC(n3cc[nH+]c3)CC2)ncn1 ZINC000853243640 588728367 /nfs/dbraw/zinc/72/83/67/588728367.db2.gz PLHGEUBVYQLTFN-UHFFFAOYSA-N 1 2 247.277 1.654 20 0 BDADLO CCC1(CC)CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501885 588746129 /nfs/dbraw/zinc/74/61/29/588746129.db2.gz MHWDHMFQORQELE-UHFFFAOYSA-N 1 2 239.319 1.614 20 0 BDADLO CCC1(CC)CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501885 588746130 /nfs/dbraw/zinc/74/61/30/588746130.db2.gz MHWDHMFQORQELE-UHFFFAOYSA-N 1 2 239.319 1.614 20 0 BDADLO CCC(CC)C[N@H+](CC)Cn1nc(C)oc1=O ZINC000853491144 588745826 /nfs/dbraw/zinc/74/58/26/588745826.db2.gz MLULYTUDUXNYCX-UHFFFAOYSA-N 1 2 241.335 1.860 20 0 BDADLO CCC(CC)C[N@@H+](CC)Cn1nc(C)oc1=O ZINC000853491144 588745827 /nfs/dbraw/zinc/74/58/27/588745827.db2.gz MLULYTUDUXNYCX-UHFFFAOYSA-N 1 2 241.335 1.860 20 0 BDADLO CCC(CC)[N@H+](Cn1nc(C)oc1=O)C1CC1 ZINC000853490914 588745899 /nfs/dbraw/zinc/74/58/99/588745899.db2.gz IWWTWZBSYMPZGP-UHFFFAOYSA-N 1 2 239.319 1.755 20 0 BDADLO CCC(CC)[N@@H+](Cn1nc(C)oc1=O)C1CC1 ZINC000853490914 588745900 /nfs/dbraw/zinc/74/59/00/588745900.db2.gz IWWTWZBSYMPZGP-UHFFFAOYSA-N 1 2 239.319 1.755 20 0 BDADLO Cc1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(=O)o1 ZINC000853513805 588747110 /nfs/dbraw/zinc/74/71/10/588747110.db2.gz DIZXIFCXIAXKFU-LLVKDONJSA-N 1 2 237.303 1.224 20 0 BDADLO Cc1nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c(=O)o1 ZINC000853513805 588747111 /nfs/dbraw/zinc/74/71/11/588747111.db2.gz DIZXIFCXIAXKFU-LLVKDONJSA-N 1 2 237.303 1.224 20 0 BDADLO NC(=[NH+]OCCC1(O)CCC1)c1ccccc1 ZINC000853636300 588751258 /nfs/dbraw/zinc/75/12/58/588751258.db2.gz AVKBDOMRSMMCBN-UHFFFAOYSA-N 1 2 234.299 1.838 20 0 BDADLO NC(=[NH+]OCCOC(F)F)c1ccccc1 ZINC000853637442 588751273 /nfs/dbraw/zinc/75/12/73/588751273.db2.gz RSNMEFMKTKBJAB-UHFFFAOYSA-N 1 2 230.214 1.772 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OCCOC(F)F ZINC000853656130 588752543 /nfs/dbraw/zinc/75/25/43/588752543.db2.gz UWFRZFPGNGAMQD-UHFFFAOYSA-N 1 2 244.241 1.967 20 0 BDADLO NC(CN1CCOCC1)=[NH+]OCCC1CCC1 ZINC000853667437 588754143 /nfs/dbraw/zinc/75/41/43/588754143.db2.gz BYSCLCLKYQWQGV-UHFFFAOYSA-N 1 2 241.335 1.007 20 0 BDADLO CC1(C)C[C@H](O[NH+]=C(N)Cc2cccnc2)CO1 ZINC000853679087 588755289 /nfs/dbraw/zinc/75/52/89/588755289.db2.gz RYAJDZNUFBAGPP-NSHDSACASA-N 1 2 249.314 1.690 20 0 BDADLO COC(OC)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000853680594 588755423 /nfs/dbraw/zinc/75/54/23/588755423.db2.gz HBBLROOPGBUAHX-ZETCQYMHSA-N 1 2 211.265 1.204 20 0 BDADLO Cc1nc(Cl)cc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000853742559 588760766 /nfs/dbraw/zinc/76/07/66/588760766.db2.gz AXMVKLGOSHTBMG-UHFFFAOYSA-N 1 2 237.694 1.798 20 0 BDADLO Cc1nc(Cl)cc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000853742559 588760767 /nfs/dbraw/zinc/76/07/67/588760767.db2.gz AXMVKLGOSHTBMG-UHFFFAOYSA-N 1 2 237.694 1.798 20 0 BDADLO FC(F)OCCSCCn1cc[nH+]c1 ZINC000853795683 588763734 /nfs/dbraw/zinc/76/37/34/588763734.db2.gz LXOSQLMVTRASCW-UHFFFAOYSA-N 1 2 222.260 1.856 20 0 BDADLO C1=C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000853800753 588764094 /nfs/dbraw/zinc/76/40/94/588764094.db2.gz YWLCNSSMLUAQDV-NSHDSACASA-N 1 2 246.314 1.444 20 0 BDADLO C1=C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000853800753 588764095 /nfs/dbraw/zinc/76/40/95/588764095.db2.gz YWLCNSSMLUAQDV-NSHDSACASA-N 1 2 246.314 1.444 20 0 BDADLO O=C1OCCN1C1CCN(c2cccc[nH+]2)CC1 ZINC000853970985 588770402 /nfs/dbraw/zinc/77/04/02/588770402.db2.gz NUHHURACGSEVEL-UHFFFAOYSA-N 1 2 247.298 1.503 20 0 BDADLO Cc1ccnc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000853967364 588770499 /nfs/dbraw/zinc/77/04/99/588770499.db2.gz QFGSSSKDHXKRSR-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccon2)no1 ZINC000854141944 588776416 /nfs/dbraw/zinc/77/64/16/588776416.db2.gz AKCLPKLACHQYAU-ZETCQYMHSA-N 1 2 238.247 1.149 20 0 BDADLO Cc1ccoc1CC(=O)NCc1c[nH+]cn1C ZINC000854498444 588789555 /nfs/dbraw/zinc/78/95/55/588789555.db2.gz DUDILRNEDPKUGA-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854455033 588787334 /nfs/dbraw/zinc/78/73/34/588787334.db2.gz DHFWXDBLHCCVSF-CABZTGNLSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854455033 588787335 /nfs/dbraw/zinc/78/73/35/588787335.db2.gz DHFWXDBLHCCVSF-CABZTGNLSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C1CC1 ZINC000854523050 588790317 /nfs/dbraw/zinc/79/03/17/588790317.db2.gz PHUOMOQYRJEIAC-LBPRGKRZSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@@H](NC(=O)/C=C/[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594202 588796226 /nfs/dbraw/zinc/79/62/26/588796226.db2.gz GUFUINATYRYYBT-CFUOYWMPSA-N 1 2 235.287 1.322 20 0 BDADLO C[C@@H](NC(=O)C=C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594202 588796227 /nfs/dbraw/zinc/79/62/27/588796227.db2.gz GUFUINATYRYYBT-CFUOYWMPSA-N 1 2 235.287 1.322 20 0 BDADLO C[C@@H](NC(=O)/C=C\[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594201 588796453 /nfs/dbraw/zinc/79/64/53/588796453.db2.gz GUFUINATYRYYBT-BYIQDMNASA-N 1 2 235.287 1.322 20 0 BDADLO C[C@@H](NC(=O)C=C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000854594201 588796454 /nfs/dbraw/zinc/79/64/54/588796454.db2.gz GUFUINATYRYYBT-BYIQDMNASA-N 1 2 235.287 1.322 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854684945 588801079 /nfs/dbraw/zinc/80/10/79/588801079.db2.gz GXYCRIWOVQWDBE-UWVGGRQHSA-N 1 2 233.315 1.880 20 0 BDADLO CC[C@@H]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854751165 588805143 /nfs/dbraw/zinc/80/51/43/588805143.db2.gz ZFLQAHAOTPMOFN-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO COC1([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000854939052 588817179 /nfs/dbraw/zinc/81/71/79/588817179.db2.gz BGJBSIANJKWSLF-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CC1(C)C ZINC000854955328 588818809 /nfs/dbraw/zinc/81/88/09/588818809.db2.gz RNOXABFAQYJWJQ-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC000855033643 588821504 /nfs/dbraw/zinc/82/15/04/588821504.db2.gz ZOEKHBBTDNRZAF-MRVPVSSYSA-N 1 2 209.293 1.503 20 0 BDADLO CCCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000855048713 588821799 /nfs/dbraw/zinc/82/17/99/588821799.db2.gz YLTWGPBSQQCDDP-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO C[N@H+](CCOc1ccccc1)CN1CCCC1=O ZINC000113238093 588827504 /nfs/dbraw/zinc/82/75/04/588827504.db2.gz GQVBMSBOHYJARN-UHFFFAOYSA-N 1 2 248.326 1.577 20 0 BDADLO C[N@@H+](CCOc1ccccc1)CN1CCCC1=O ZINC000113238093 588827505 /nfs/dbraw/zinc/82/75/05/588827505.db2.gz GQVBMSBOHYJARN-UHFFFAOYSA-N 1 2 248.326 1.577 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000855409864 588831790 /nfs/dbraw/zinc/83/17/90/588831790.db2.gz GWZVNXMUBAFIID-OUONCDGISA-N 1 2 240.347 1.178 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000855409864 588831791 /nfs/dbraw/zinc/83/17/91/588831791.db2.gz GWZVNXMUBAFIID-OUONCDGISA-N 1 2 240.347 1.178 20 0 BDADLO C[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)[NH+](C)C ZINC000855416734 588831959 /nfs/dbraw/zinc/83/19/59/588831959.db2.gz ZIRKNOGCMOERGH-RNFRBKRXSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@H](CCNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000855416734 588831960 /nfs/dbraw/zinc/83/19/60/588831960.db2.gz ZIRKNOGCMOERGH-RNFRBKRXSA-N 1 2 244.232 1.343 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C)n2)c(C)n1 ZINC000806167260 582516721 /nfs/dbraw/zinc/51/67/21/582516721.db2.gz PEUAQCICBHPGME-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C)n2)c(C)n1 ZINC000806167259 582516843 /nfs/dbraw/zinc/51/68/43/582516843.db2.gz PEUAQCICBHPGME-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000855427442 588833966 /nfs/dbraw/zinc/83/39/66/588833966.db2.gz YZSJDWOILVCIFN-WDEREUQCSA-N 1 2 231.299 1.280 20 0 BDADLO CO[C@@H](C)C(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000890854009 582580749 /nfs/dbraw/zinc/58/07/49/582580749.db2.gz VCCSAXAXMMKRSH-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460663 582593156 /nfs/dbraw/zinc/59/31/56/582593156.db2.gz HEHSIXVHEKMOJR-KNVOCYPGSA-N 1 2 231.271 1.543 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460663 582593157 /nfs/dbraw/zinc/59/31/57/582593157.db2.gz HEHSIXVHEKMOJR-KNVOCYPGSA-N 1 2 231.271 1.543 20 0 BDADLO COCCOC[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000846750270 582665235 /nfs/dbraw/zinc/66/52/35/582665235.db2.gz AJKGTDYRURPKIL-LLVKDONJSA-N 1 2 224.304 1.853 20 0 BDADLO C[C@H](O)c1cccc(NCCCn2cc[nH+]c2)n1 ZINC000891409024 582679448 /nfs/dbraw/zinc/67/94/48/582679448.db2.gz OAYUCRFFUHTJBM-NSHDSACASA-N 1 2 246.314 1.834 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](CC)CCO ZINC000891450244 582689651 /nfs/dbraw/zinc/68/96/51/582689651.db2.gz FNWLAGWXEZUJFO-UHFFFAOYSA-N 1 2 231.727 1.440 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](CC)CCO ZINC000891450244 582689652 /nfs/dbraw/zinc/68/96/52/582689652.db2.gz FNWLAGWXEZUJFO-UHFFFAOYSA-N 1 2 231.727 1.440 20 0 BDADLO CCOC(=O)c1cnc(CC)nc1-n1cc[nH+]c1 ZINC000891547809 582695518 /nfs/dbraw/zinc/69/55/18/582695518.db2.gz MWAYAUGJZKFKGL-UHFFFAOYSA-N 1 2 246.270 1.401 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2C2CC2)CCO1 ZINC000891543739 582695958 /nfs/dbraw/zinc/69/59/58/582695958.db2.gz SZGYGIVPFDMLQQ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)CCO1 ZINC000891543739 582695960 /nfs/dbraw/zinc/69/59/60/582695960.db2.gz SZGYGIVPFDMLQQ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO COC(=O)CN(C)Cc1[nH+]ccc2c1CCCC2 ZINC000891637287 582704087 /nfs/dbraw/zinc/70/40/87/582704087.db2.gz BPSWSXXGKXNHOD-UHFFFAOYSA-N 1 2 248.326 1.565 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCC3)[C@@H](C)CO1 ZINC000891671205 582708669 /nfs/dbraw/zinc/70/86/69/582708669.db2.gz MYLAVLDINUQINJ-WDEREUQCSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)[C@@H](C)CO1 ZINC000891671205 582708670 /nfs/dbraw/zinc/70/86/70/582708670.db2.gz MYLAVLDINUQINJ-WDEREUQCSA-N 1 2 249.358 1.518 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ccc(OC)o1 ZINC000891713290 582712369 /nfs/dbraw/zinc/71/23/69/582712369.db2.gz YFYDCAXHWXWTMN-UHFFFAOYSA-N 1 2 240.303 1.376 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ccc(OC)o1 ZINC000891713290 582712370 /nfs/dbraw/zinc/71/23/70/582712370.db2.gz YFYDCAXHWXWTMN-UHFFFAOYSA-N 1 2 240.303 1.376 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+]1CCCOCC1 ZINC000891721319 582714379 /nfs/dbraw/zinc/71/43/79/582714379.db2.gz WZFPMJHPFYXGOB-UHFFFAOYSA-N 1 2 243.738 1.848 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+]1CCCOCC1 ZINC000891721319 582714381 /nfs/dbraw/zinc/71/43/81/582714381.db2.gz WZFPMJHPFYXGOB-UHFFFAOYSA-N 1 2 243.738 1.848 20 0 BDADLO COc1ccc(C[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000891919590 582737860 /nfs/dbraw/zinc/73/78/60/582737860.db2.gz VWCLVGRJMOKOAK-UHFFFAOYSA-N 1 2 239.271 1.237 20 0 BDADLO COc1ccc(C[N@H+]2CCC3(C2)OCCO3)o1 ZINC000891919590 582737862 /nfs/dbraw/zinc/73/78/62/582737862.db2.gz VWCLVGRJMOKOAK-UHFFFAOYSA-N 1 2 239.271 1.237 20 0 BDADLO CN(C[C@H]1CCCCO1)c1nccn2c[nH+]cc12 ZINC000891955389 582745650 /nfs/dbraw/zinc/74/56/50/582745650.db2.gz HWHHULSJCANIPX-LLVKDONJSA-N 1 2 246.314 1.735 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c(C)n1 ZINC000892048351 582773274 /nfs/dbraw/zinc/77/32/74/582773274.db2.gz KBBRSDWXXVRVLJ-VXGBXAGGSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)c(C)n1 ZINC000892048351 582773275 /nfs/dbraw/zinc/77/32/75/582773275.db2.gz KBBRSDWXXVRVLJ-VXGBXAGGSA-N 1 2 237.347 1.821 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000892049544 582775422 /nfs/dbraw/zinc/77/54/22/582775422.db2.gz RYSYKVGJPNMNEZ-VHSXEESVSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000892049544 582775426 /nfs/dbraw/zinc/77/54/26/582775426.db2.gz RYSYKVGJPNMNEZ-VHSXEESVSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)o1 ZINC000892110910 582793617 /nfs/dbraw/zinc/79/36/17/582793617.db2.gz SIPLLWHFAGGSDY-LBPRGKRZSA-N 1 2 237.299 1.899 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)o1 ZINC000892110910 582793619 /nfs/dbraw/zinc/79/36/19/582793619.db2.gz SIPLLWHFAGGSDY-LBPRGKRZSA-N 1 2 237.299 1.899 20 0 BDADLO Oc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000112840340 582820746 /nfs/dbraw/zinc/82/07/46/582820746.db2.gz AZMSBHRRTZWYSC-GFCCVEGCSA-N 1 2 229.283 1.892 20 0 BDADLO C[C@H](CNC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000892305672 582833356 /nfs/dbraw/zinc/83/33/56/582833356.db2.gz MYFUMLKMQIXZLF-SECBINFHSA-N 1 2 236.319 1.265 20 0 BDADLO C[C@H]1CC[N@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000725778248 582848255 /nfs/dbraw/zinc/84/82/55/582848255.db2.gz LABAFWVCZBOYGK-NSHDSACASA-N 1 2 243.310 1.696 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2ncc3ccccc3c2=O)C1 ZINC000725778248 582848257 /nfs/dbraw/zinc/84/82/57/582848257.db2.gz LABAFWVCZBOYGK-NSHDSACASA-N 1 2 243.310 1.696 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1c(C)noc1C ZINC000092332125 582855211 /nfs/dbraw/zinc/85/52/11/582855211.db2.gz RAZPVDDQKDMUAX-MRVPVSSYSA-N 1 2 249.318 1.754 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000781605569 582863411 /nfs/dbraw/zinc/86/34/11/582863411.db2.gz DYPCSWXVIXBYDW-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO OCCC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892397677 582875900 /nfs/dbraw/zinc/87/59/00/582875900.db2.gz PAZZMPYUJMVADN-UHFFFAOYSA-N 1 2 246.314 1.328 20 0 BDADLO CC1(C)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1(F)F ZINC000856069156 588859285 /nfs/dbraw/zinc/85/92/85/588859285.db2.gz LNYCHXDTOKEVSL-ZETCQYMHSA-N 1 2 243.257 1.360 20 0 BDADLO C[C@@H](O)c1cccc(N(C)Cc2cc[nH]n2)[nH+]1 ZINC000892482218 582896376 /nfs/dbraw/zinc/89/63/76/582896376.db2.gz TUCFHIYYDXOLIM-SECBINFHSA-N 1 2 232.287 1.494 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892502517 582899515 /nfs/dbraw/zinc/89/95/15/582899515.db2.gz SCGLKLOQQWFJHW-NHCYSSNCSA-N 1 2 238.331 1.954 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc[nH]n2)cnc1F ZINC000892515805 582904831 /nfs/dbraw/zinc/90/48/31/582904831.db2.gz YTBOYNTUCKXXRS-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CC[C@H](COC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892623377 582932457 /nfs/dbraw/zinc/93/24/57/582932457.db2.gz WFWXCRYVVKTICN-VHSXEESVSA-N 1 2 224.304 1.972 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1nccn2c[nH+]cc12 ZINC000892642228 582936530 /nfs/dbraw/zinc/93/65/30/582936530.db2.gz OKCWDENKQPMJBQ-VHSXEESVSA-N 1 2 216.288 1.964 20 0 BDADLO CC(C)=CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856275621 588866265 /nfs/dbraw/zinc/86/62/65/588866265.db2.gz HGNMNKPIGCZSFZ-SECBINFHSA-N 1 2 207.277 1.564 20 0 BDADLO C/C=C(\C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277035 588866469 /nfs/dbraw/zinc/86/64/69/588866469.db2.gz GJISYGMUWAJBDW-WHXYTISESA-N 1 2 207.277 1.564 20 0 BDADLO CCc1cc(N2CC[C@@H](OC)C2)nc(CC)[nH+]1 ZINC000892810862 582986770 /nfs/dbraw/zinc/98/67/70/582986770.db2.gz XZXSKXDHRFNNRV-LLVKDONJSA-N 1 2 235.331 1.827 20 0 BDADLO CN(C)c1cc(N(C)C[C@H]2CCOC2)nc[nH+]1 ZINC000892820262 582988553 /nfs/dbraw/zinc/98/85/53/582988553.db2.gz DHFBAORIGLDPOT-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO CN(C)c1cc(N(C)C[C@H]2CCOC2)[nH+]cn1 ZINC000892820262 582988555 /nfs/dbraw/zinc/98/85/55/582988555.db2.gz DHFBAORIGLDPOT-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCS2)[nH+]cn1 ZINC000892883719 583004534 /nfs/dbraw/zinc/00/45/34/583004534.db2.gz DJGNETZFTIUQRP-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCS2)nc[nH+]1 ZINC000892883719 583004535 /nfs/dbraw/zinc/00/45/35/583004535.db2.gz DJGNETZFTIUQRP-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO N#Cc1ccc([C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000146859458 583020438 /nfs/dbraw/zinc/02/04/38/583020438.db2.gz LMABDLWREDBFCY-LBPRGKRZSA-N 1 2 213.240 1.488 20 0 BDADLO C[C@@H](O)C[C@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000892955210 583020471 /nfs/dbraw/zinc/02/04/71/583020471.db2.gz GWTFYOHOTZHYPY-GHMZBOCLSA-N 1 2 246.314 1.469 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)c1nccn2c[nH+]cc12 ZINC000892980491 583024723 /nfs/dbraw/zinc/02/47/23/583024723.db2.gz MCKUPKSOBHOWQR-CMPLNLGQSA-N 1 2 246.314 1.327 20 0 BDADLO CN(C)c1cc(N2CC[C@H](C3CC3)C2)nc[nH+]1 ZINC000893046769 583037590 /nfs/dbraw/zinc/03/75/90/583037590.db2.gz IIFRQVCHAXOGCX-NSHDSACASA-N 1 2 232.331 1.779 20 0 BDADLO CN(C)c1cc(N2CC[C@H](C3CC3)C2)[nH+]cn1 ZINC000893046769 583037591 /nfs/dbraw/zinc/03/75/91/583037591.db2.gz IIFRQVCHAXOGCX-NSHDSACASA-N 1 2 232.331 1.779 20 0 BDADLO CCn1cc(CNc2ccc(N(C)C)c[nH+]2)nn1 ZINC000893140995 583056148 /nfs/dbraw/zinc/05/61/48/583056148.db2.gz JHBROHCVBLRSIA-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO C[C@@H](O)c1cccc(NCC2(CO)CCC2)[nH+]1 ZINC000893151111 583058440 /nfs/dbraw/zinc/05/84/40/583058440.db2.gz OVMYJJUQOADGCH-SNVBAGLBSA-N 1 2 236.315 1.709 20 0 BDADLO C[C@@H](O)c1cccc(NCCc2ccnn2C)[nH+]1 ZINC000893186787 583067652 /nfs/dbraw/zinc/06/76/52/583067652.db2.gz FGDPJOPMJICUPN-SNVBAGLBSA-N 1 2 246.314 1.523 20 0 BDADLO C[C@H]([NH2+][C@H](CO)CC1CC1)C(=O)OC(C)(C)C ZINC000893210713 583071888 /nfs/dbraw/zinc/07/18/88/583071888.db2.gz OFGLPKCJQPWQQC-ONGXEEELSA-N 1 2 243.347 1.467 20 0 BDADLO CNc1cc(N[C@@H](CCO)c2ccco2)nc[nH+]1 ZINC000893220212 583073725 /nfs/dbraw/zinc/07/37/25/583073725.db2.gz PRDYXYCCQZLHBF-VIFPVBQESA-N 1 2 248.286 1.647 20 0 BDADLO CNc1cc(N[C@@H](CCO)c2ccco2)[nH+]cn1 ZINC000893220212 583073728 /nfs/dbraw/zinc/07/37/28/583073728.db2.gz PRDYXYCCQZLHBF-VIFPVBQESA-N 1 2 248.286 1.647 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000893230805 583075334 /nfs/dbraw/zinc/07/53/34/583075334.db2.gz QKWIETBOPAPWQZ-ZBJFTSOASA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000893230805 583075335 /nfs/dbraw/zinc/07/53/35/583075335.db2.gz QKWIETBOPAPWQZ-ZBJFTSOASA-N 1 2 222.292 1.257 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(COC)ncn1 ZINC000856762305 588876149 /nfs/dbraw/zinc/87/61/49/588876149.db2.gz QPZCGQUOIKFVFW-UHFFFAOYSA-N 1 2 247.302 1.452 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@H](O)C2(C)C)[nH+]cn1 ZINC000893267904 583081095 /nfs/dbraw/zinc/08/10/95/583081095.db2.gz YBXZVZYJXBUMSF-IUCAKERBSA-N 1 2 236.319 1.114 20 0 BDADLO CN(C)c1cc(N[C@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000893267904 583081096 /nfs/dbraw/zinc/08/10/96/583081096.db2.gz YBXZVZYJXBUMSF-IUCAKERBSA-N 1 2 236.319 1.114 20 0 BDADLO CCOc1cncc(C[NH2+]Cc2ccn(C)n2)c1 ZINC000856776246 588877313 /nfs/dbraw/zinc/87/73/13/588877313.db2.gz OTLIFDLHDVPOCK-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCC=CO2)[nH+]cn1 ZINC000893368273 583127716 /nfs/dbraw/zinc/12/77/16/583127716.db2.gz QMPPNXCXGFQOQR-JTQLQIEISA-N 1 2 234.303 1.647 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCC=CO2)nc[nH+]1 ZINC000893368273 583127718 /nfs/dbraw/zinc/12/77/18/583127718.db2.gz QMPPNXCXGFQOQR-JTQLQIEISA-N 1 2 234.303 1.647 20 0 BDADLO CN(c1nccn2c[nH+]cc12)[C@H]1CC[C@H](O)CC1 ZINC000893392257 583134813 /nfs/dbraw/zinc/13/48/13/583134813.db2.gz YUJQMYWAGPRION-XYPYZODXSA-N 1 2 246.314 1.469 20 0 BDADLO CCc1cc(N2C[C@H](O)C[C@@H]2C)nc(CC)[nH+]1 ZINC000893428930 583141925 /nfs/dbraw/zinc/14/19/25/583141925.db2.gz VUPFIAYDAKWPEH-GXSJLCMTSA-N 1 2 235.331 1.561 20 0 BDADLO CCc1cc(N2C[C@@H](O)C[C@H]2C)nc(CC)[nH+]1 ZINC000893428934 583142180 /nfs/dbraw/zinc/14/21/80/583142180.db2.gz VUPFIAYDAKWPEH-KOLCDFICSA-N 1 2 235.331 1.561 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC(CC2CC2)C1 ZINC000856905031 588879706 /nfs/dbraw/zinc/87/97/06/588879706.db2.gz HJEXUMCGLFLVGY-UHFFFAOYSA-N 1 2 248.330 1.362 20 0 BDADLO C[N@H+](Cc1nccn1C1CC1)C1CC(O)C1 ZINC000893576643 583166533 /nfs/dbraw/zinc/16/65/33/583166533.db2.gz CJWVNAJBWZYUBF-UHFFFAOYSA-N 1 2 221.304 1.173 20 0 BDADLO C[N@@H+](Cc1nccn1C1CC1)C1CC(O)C1 ZINC000893576643 583166534 /nfs/dbraw/zinc/16/65/34/583166534.db2.gz CJWVNAJBWZYUBF-UHFFFAOYSA-N 1 2 221.304 1.173 20 0 BDADLO CNc1cc(N[C@H]2CCCC[C@@H]2OC)nc[nH+]1 ZINC000893703244 583204662 /nfs/dbraw/zinc/20/46/62/583204662.db2.gz ZLTMZAWOVPKARS-UWVGGRQHSA-N 1 2 236.319 1.888 20 0 BDADLO CNc1cc(N[C@H]2CCCC[C@@H]2OC)[nH+]cn1 ZINC000893703244 583204664 /nfs/dbraw/zinc/20/46/64/583204664.db2.gz ZLTMZAWOVPKARS-UWVGGRQHSA-N 1 2 236.319 1.888 20 0 BDADLO CC(C)c1c[nH]c(CN2CCOCC2)[nH+]1 ZINC000893863589 583234713 /nfs/dbraw/zinc/23/47/13/583234713.db2.gz GIYBNPZIXFSNKJ-UHFFFAOYSA-N 1 2 209.293 1.365 20 0 BDADLO CN1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000893863630 583234775 /nfs/dbraw/zinc/23/47/75/583234775.db2.gz HCVISGJNZNRJTO-UHFFFAOYSA-N 1 2 246.314 1.016 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cc(C)co2)CC1 ZINC000893871438 583237871 /nfs/dbraw/zinc/23/78/71/583237871.db2.gz NGLLTJMULCIYSP-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CNc1cc(N2CCC(F)(F)[C@@H](C)C2)nc[nH+]1 ZINC000893904615 583243327 /nfs/dbraw/zinc/24/33/27/583243327.db2.gz IGZUZXJDUJHOPN-QMMMGPOBSA-N 1 2 242.273 2.000 20 0 BDADLO CNc1cc(N2CCC(F)(F)[C@@H](C)C2)[nH+]cn1 ZINC000893904615 583243331 /nfs/dbraw/zinc/24/33/31/583243331.db2.gz IGZUZXJDUJHOPN-QMMMGPOBSA-N 1 2 242.273 2.000 20 0 BDADLO CC(C)c1c[nH]c(C[NH+]2CCC(CO)CC2)n1 ZINC000893922252 583248015 /nfs/dbraw/zinc/24/80/15/583248015.db2.gz BWXUHLTVWGUQNV-UHFFFAOYSA-N 1 2 237.347 1.737 20 0 BDADLO COC[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)C(=O)OC ZINC000893951889 583260085 /nfs/dbraw/zinc/26/00/85/583260085.db2.gz RQOLSUZPVORFOB-FOGDFJRCSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1n[nH]c(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1C ZINC000893953030 583261629 /nfs/dbraw/zinc/26/16/29/583261629.db2.gz PYQNIYLLCKIZFY-IUCAKERBSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1C ZINC000893953030 583261630 /nfs/dbraw/zinc/26/16/30/583261630.db2.gz PYQNIYLLCKIZFY-IUCAKERBSA-N 1 2 223.320 1.636 20 0 BDADLO CCc1cc(N2CC[C@@H]2COC)nc(CC)[nH+]1 ZINC000893975330 583265229 /nfs/dbraw/zinc/26/52/29/583265229.db2.gz CADGFHZGBVYSPZ-LLVKDONJSA-N 1 2 235.331 1.827 20 0 BDADLO CC(C)c1c[nH]c(CN(C)Cc2cnccn2)[nH+]1 ZINC000893978787 583265909 /nfs/dbraw/zinc/26/59/09/583265909.db2.gz VDFOXTOZOXCWDM-UHFFFAOYSA-N 1 2 245.330 1.955 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1C ZINC000894033608 583276595 /nfs/dbraw/zinc/27/65/95/583276595.db2.gz KCMZEISPVFILRZ-JOYOIKCWSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1C ZINC000894033608 583276596 /nfs/dbraw/zinc/27/65/96/583276596.db2.gz KCMZEISPVFILRZ-JOYOIKCWSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@](C)(O)C2)c1C ZINC000894042124 583284978 /nfs/dbraw/zinc/28/49/78/583284978.db2.gz IQWGADGBVLNQSC-LBPRGKRZSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@](C)(O)C2)c1C ZINC000894042124 583284979 /nfs/dbraw/zinc/28/49/79/583284979.db2.gz IQWGADGBVLNQSC-LBPRGKRZSA-N 1 2 223.320 1.373 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(C)co1 ZINC000894076482 583297734 /nfs/dbraw/zinc/29/77/34/583297734.db2.gz OGIUUPDPOFAHHG-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(C)co1 ZINC000894076482 583297735 /nfs/dbraw/zinc/29/77/35/583297735.db2.gz OGIUUPDPOFAHHG-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CC[C@@H](Nc1cccc([C@@H](C)O)[nH+]1)C(=O)NC ZINC000894128196 583312597 /nfs/dbraw/zinc/31/25/97/583312597.db2.gz QMYFIUMQBDCKKO-RKDXNWHRSA-N 1 2 237.303 1.071 20 0 BDADLO CCc1cc(C[NH2+]Cc2ocnc2C)on1 ZINC000894140026 583316367 /nfs/dbraw/zinc/31/63/67/583316367.db2.gz YXFLVBFPNXWJDK-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO Cc1ccc(CCNc2cnc(CO)cn2)[nH+]c1 ZINC000894141412 583317181 /nfs/dbraw/zinc/31/71/81/583317181.db2.gz HZFDIGOANBNGJX-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000894178885 583328371 /nfs/dbraw/zinc/32/83/71/583328371.db2.gz QVDJZNVEEYHSBZ-GMTAPVOTSA-N 1 2 243.347 1.730 20 0 BDADLO CC(C)(C)OC1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000877770302 583346767 /nfs/dbraw/zinc/34/67/67/583346767.db2.gz ROCOYQKBHRTBNN-UHFFFAOYSA-N 1 2 236.315 1.787 20 0 BDADLO CC(C)=CC[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000877792811 583347973 /nfs/dbraw/zinc/34/79/73/583347973.db2.gz QKBVWBZHBHXZHE-OAHLLOKOSA-N 1 2 231.365 1.162 20 0 BDADLO C=C/C=C\CC[N@@H+](C)Cc1nncn1C ZINC000878618463 583386531 /nfs/dbraw/zinc/38/65/31/583386531.db2.gz AAMONACWIONZQY-WAYWQWQTSA-N 1 2 206.293 1.379 20 0 BDADLO C=C/C=C\CC[N@H+](C)Cc1nncn1C ZINC000878618463 583386533 /nfs/dbraw/zinc/38/65/33/583386533.db2.gz AAMONACWIONZQY-WAYWQWQTSA-N 1 2 206.293 1.379 20 0 BDADLO O=C1CCN1C[N@@H+]1CCc2ccccc2C1 ZINC000857228873 588896624 /nfs/dbraw/zinc/89/66/24/588896624.db2.gz FSICNKZMGXBRCY-UHFFFAOYSA-N 1 2 216.284 1.235 20 0 BDADLO O=C1CCN1C[N@H+]1CCc2ccccc2C1 ZINC000857228873 588896626 /nfs/dbraw/zinc/89/66/26/588896626.db2.gz FSICNKZMGXBRCY-UHFFFAOYSA-N 1 2 216.284 1.235 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cnsn2)C1 ZINC000879325093 583425063 /nfs/dbraw/zinc/42/50/63/583425063.db2.gz LCAFHCNCJPWDQT-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cnsn2)C1 ZINC000879325093 583425065 /nfs/dbraw/zinc/42/50/65/583425065.db2.gz LCAFHCNCJPWDQT-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO COc1ccc(NCc2c[nH+]c[nH]2)c(OC)n1 ZINC000894359957 583437027 /nfs/dbraw/zinc/43/70/27/583437027.db2.gz VIRHLHCRCRTTCA-UHFFFAOYSA-N 1 2 234.259 1.434 20 0 BDADLO COc1ccc(NCc2c[nH]c[nH+]2)c(OC)n1 ZINC000894359957 583437031 /nfs/dbraw/zinc/43/70/31/583437031.db2.gz VIRHLHCRCRTTCA-UHFFFAOYSA-N 1 2 234.259 1.434 20 0 BDADLO CNc1cc(N[C@@H]2CCCC[C@H]2OC)nc[nH+]1 ZINC000894392238 583446471 /nfs/dbraw/zinc/44/64/71/583446471.db2.gz ZLTMZAWOVPKARS-NXEZZACHSA-N 1 2 236.319 1.888 20 0 BDADLO CNc1cc(N[C@@H]2CCCC[C@H]2OC)[nH+]cn1 ZINC000894392238 583446472 /nfs/dbraw/zinc/44/64/72/583446472.db2.gz ZLTMZAWOVPKARS-NXEZZACHSA-N 1 2 236.319 1.888 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2CC(F)(F)C2)c1 ZINC000894444573 583460759 /nfs/dbraw/zinc/46/07/59/583460759.db2.gz XLEWHHHRBMTMAE-UHFFFAOYSA-N 1 2 244.245 1.017 20 0 BDADLO CN(C)CC[N@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000894450229 583463851 /nfs/dbraw/zinc/46/38/51/583463851.db2.gz UDCNJFBDWZRZOM-UWVGGRQHSA-N 1 2 249.196 1.653 20 0 BDADLO CN(C)CC[N@@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000894450229 583463854 /nfs/dbraw/zinc/46/38/54/583463854.db2.gz UDCNJFBDWZRZOM-UWVGGRQHSA-N 1 2 249.196 1.653 20 0 BDADLO CCn1cc(C[NH2+]Cc2nonc2C)c(C)n1 ZINC000894465129 583465916 /nfs/dbraw/zinc/46/59/16/583465916.db2.gz TYSFZDWQWDPSGH-UHFFFAOYSA-N 1 2 235.291 1.193 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)o1 ZINC000894468672 583468655 /nfs/dbraw/zinc/46/86/55/583468655.db2.gz ZWSUNBMXBHENEN-ZETCQYMHSA-N 1 2 236.275 1.566 20 0 BDADLO CCc1onc(C)c1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894468273 583468688 /nfs/dbraw/zinc/46/86/88/583468688.db2.gz URRSXABWZUIYLM-MRVPVSSYSA-N 1 2 249.318 1.823 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000894500964 583474833 /nfs/dbraw/zinc/47/48/33/583474833.db2.gz SPMWYTYPBWTCTR-SCZZXKLOSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000894500964 583474835 /nfs/dbraw/zinc/47/48/35/583474835.db2.gz SPMWYTYPBWTCTR-SCZZXKLOSA-N 1 2 237.303 1.069 20 0 BDADLO C[C@H]1C[N@H+](CCNc2nccs2)[C@@H](C)CO1 ZINC000894521950 583477032 /nfs/dbraw/zinc/47/70/32/583477032.db2.gz WIWOTYGLTKUJSO-UWVGGRQHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H]1C[N@@H+](CCNc2nccs2)[C@@H](C)CO1 ZINC000894521950 583477033 /nfs/dbraw/zinc/47/70/33/583477033.db2.gz WIWOTYGLTKUJSO-UWVGGRQHSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](CO)Nc1cc(N[C@@H]2C=CCC2)nc[nH+]1 ZINC000894523136 583477390 /nfs/dbraw/zinc/47/73/90/583477390.db2.gz UIVYYCOISLYITP-WDEREUQCSA-N 1 2 248.330 1.790 20 0 BDADLO CC[C@@H](CO)Nc1cc(N[C@@H]2C=CCC2)[nH+]cn1 ZINC000894523136 583477391 /nfs/dbraw/zinc/47/73/91/583477391.db2.gz UIVYYCOISLYITP-WDEREUQCSA-N 1 2 248.330 1.790 20 0 BDADLO COC[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894538804 583479877 /nfs/dbraw/zinc/47/98/77/583479877.db2.gz MDCPGASVDCBWAV-QCNOEVLYSA-N 1 2 241.331 1.343 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC3(CCC3)C2)[nH+]cn1 ZINC000894540958 583480461 /nfs/dbraw/zinc/48/04/61/583480461.db2.gz QTCWDWZTOZNJJG-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC3(CCC3)C2)nc[nH+]1 ZINC000894540958 583480463 /nfs/dbraw/zinc/48/04/63/583480463.db2.gz QTCWDWZTOZNJJG-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO CCc1cc(NC[C@H](O)CC)nc(CC)[nH+]1 ZINC000894551781 583482946 /nfs/dbraw/zinc/48/29/46/583482946.db2.gz WROUVGHTYHKHIC-SNVBAGLBSA-N 1 2 223.320 1.784 20 0 BDADLO CCc1cc(N2CCC[C@@H]2[C@H](C)O)nc(CC)[nH+]1 ZINC000894572231 583485667 /nfs/dbraw/zinc/48/56/67/583485667.db2.gz GSDIXOKBWQCXPE-CMPLNLGQSA-N 1 2 249.358 1.951 20 0 BDADLO CN(Cc1cnc(C2CC2)o1)Cc1[nH]cc[nH+]1 ZINC000894586823 583489680 /nfs/dbraw/zinc/48/96/80/583489680.db2.gz JLSOTKHRTSVRDM-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnccc2OC)o1 ZINC000894600494 583490702 /nfs/dbraw/zinc/49/07/02/583490702.db2.gz AOBPNNQAVOWAQR-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO COc1ccc(C[NH2+][C@H]2CCn3ccnc32)nc1 ZINC000894669137 583502895 /nfs/dbraw/zinc/50/28/95/583502895.db2.gz QSDFOQAZRCBFFU-LBPRGKRZSA-N 1 2 244.298 1.521 20 0 BDADLO C[C@@H](c1nncn1C)[NH+]1CCC(F)CC1 ZINC000880239254 583515407 /nfs/dbraw/zinc/51/54/07/583515407.db2.gz CUZAROLTEMLNHM-QMMMGPOBSA-N 1 2 212.272 1.310 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(F)nc2C)[nH]1 ZINC000894774060 583517754 /nfs/dbraw/zinc/51/77/54/583517754.db2.gz NKZVBWSYBKIUKT-MRVPVSSYSA-N 1 2 249.293 1.806 20 0 BDADLO CCn1cc(C[NH+]2CC(O)(C(C)C)C2)c(C)n1 ZINC000894821054 583524724 /nfs/dbraw/zinc/52/47/24/583524724.db2.gz BDMNAARSWDVOJU-UHFFFAOYSA-N 1 2 237.347 1.414 20 0 BDADLO COC1C[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000894819240 583525094 /nfs/dbraw/zinc/52/50/94/583525094.db2.gz JFAJGVOMPNNSIU-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO FCCn1cc(C[NH+]2CC(C(F)F)C2)cn1 ZINC000894828534 583527090 /nfs/dbraw/zinc/52/70/90/583527090.db2.gz OJCXEXBPFAMOKF-UHFFFAOYSA-N 1 2 233.237 1.550 20 0 BDADLO Cc1nnc(C[NH+]2CC3(C2)CCOCC3)s1 ZINC000894830633 583527830 /nfs/dbraw/zinc/52/78/30/583527830.db2.gz PQACTLRGIHZNQX-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO CC1(CO)CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894841841 583530943 /nfs/dbraw/zinc/53/09/43/583530943.db2.gz YZKAEFPKRJBYFP-UHFFFAOYSA-N 1 2 221.304 1.032 20 0 BDADLO COC[C@@]1(C)CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894873635 583541029 /nfs/dbraw/zinc/54/10/29/583541029.db2.gz JYGPXODRNZUZFE-ZDUSSCGKSA-N 1 2 237.347 1.885 20 0 BDADLO COCc1nc(C[N@@H+]2CC=C[C@@H]2CO)cs1 ZINC000880486303 583543994 /nfs/dbraw/zinc/54/39/94/583543994.db2.gz NSVOHYFMLMJKKD-SNVBAGLBSA-N 1 2 240.328 1.022 20 0 BDADLO COCc1nc(C[N@H+]2CC=C[C@@H]2CO)cs1 ZINC000880486303 583543995 /nfs/dbraw/zinc/54/39/95/583543995.db2.gz NSVOHYFMLMJKKD-SNVBAGLBSA-N 1 2 240.328 1.022 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ccncc1Cl ZINC000880486041 583544116 /nfs/dbraw/zinc/54/41/16/583544116.db2.gz JTJTZHICDSPDQN-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ccncc1Cl ZINC000880486041 583544117 /nfs/dbraw/zinc/54/41/17/583544117.db2.gz JTJTZHICDSPDQN-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO Cc1ccc(C[N@@H+]2CC=C[C@H]2CO)c(Cl)n1 ZINC000880491979 583545172 /nfs/dbraw/zinc/54/51/72/583545172.db2.gz MURDSJUTSDVMTG-NSHDSACASA-N 1 2 238.718 1.776 20 0 BDADLO Cc1ccc(C[N@H+]2CC=C[C@H]2CO)c(Cl)n1 ZINC000880491979 583545173 /nfs/dbraw/zinc/54/51/73/583545173.db2.gz MURDSJUTSDVMTG-NSHDSACASA-N 1 2 238.718 1.776 20 0 BDADLO Cc1nc(N2Cc3c[nH]nc3[C@@H](C)C2)cc[nH+]1 ZINC000894893327 583548598 /nfs/dbraw/zinc/54/85/98/583548598.db2.gz DCRSDORGEAEVTN-QMMMGPOBSA-N 1 2 229.287 1.632 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccon1 ZINC000128935612 583550781 /nfs/dbraw/zinc/55/07/81/583550781.db2.gz MKURVFDDVBODKM-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO C[C@H](O)c1cccc(NCC[C@@H](O)C(F)F)[nH+]1 ZINC000894916816 583555678 /nfs/dbraw/zinc/55/56/78/583555678.db2.gz XEHUFEKXTNPDGL-IONNQARKSA-N 1 2 246.257 1.563 20 0 BDADLO CCC1C[NH+](Cc2ncc(C(=O)OC)s2)C1 ZINC000894968785 583560500 /nfs/dbraw/zinc/56/05/00/583560500.db2.gz DROPAXPXVDOERN-UHFFFAOYSA-N 1 2 240.328 1.772 20 0 BDADLO Cc1coc(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000894984557 583564458 /nfs/dbraw/zinc/56/44/58/583564458.db2.gz AXXAYVPOKBIKCL-LLVKDONJSA-N 1 2 213.252 1.758 20 0 BDADLO Cc1coc(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000894984557 583564460 /nfs/dbraw/zinc/56/44/60/583564460.db2.gz AXXAYVPOKBIKCL-LLVKDONJSA-N 1 2 213.252 1.758 20 0 BDADLO CCc1cc(N[C@H]2CCC[C@@H]2O)nc(CC)[nH+]1 ZINC000894985961 583564590 /nfs/dbraw/zinc/56/45/90/583564590.db2.gz MWNIULWSEXUWEO-QWRGUYRKSA-N 1 2 235.331 1.927 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3cnc(C)o3)C2)n[nH]1 ZINC000895011506 583568189 /nfs/dbraw/zinc/56/81/89/583568189.db2.gz KLUSRGZDELKREK-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cnc(C)o3)C2)n[nH]1 ZINC000895011506 583568190 /nfs/dbraw/zinc/56/81/90/583568190.db2.gz KLUSRGZDELKREK-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nnc([C@H]2CC[N@H+](Cc3ccon3)C2)[nH]1 ZINC000895012512 583568456 /nfs/dbraw/zinc/56/84/56/583568456.db2.gz MNYNGEPKCOKEIN-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccon3)C2)[nH]1 ZINC000895012512 583568458 /nfs/dbraw/zinc/56/84/58/583568458.db2.gz MNYNGEPKCOKEIN-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccon3)C2)n1 ZINC000895012512 583568460 /nfs/dbraw/zinc/56/84/60/583568460.db2.gz MNYNGEPKCOKEIN-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccon3)C2)n1 ZINC000895012512 583568462 /nfs/dbraw/zinc/56/84/62/583568462.db2.gz MNYNGEPKCOKEIN-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3ccon3)C2)n[nH]1 ZINC000895012512 583568463 /nfs/dbraw/zinc/56/84/63/583568463.db2.gz MNYNGEPKCOKEIN-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccon3)C2)n[nH]1 ZINC000895012512 583568465 /nfs/dbraw/zinc/56/84/65/583568465.db2.gz MNYNGEPKCOKEIN-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO CNc1cc(N[C@@H](C)c2ccnn2C)nc[nH+]1 ZINC000895036081 583570284 /nfs/dbraw/zinc/57/02/84/583570284.db2.gz YGVWYVXWHZOEDI-QMMMGPOBSA-N 1 2 232.291 1.425 20 0 BDADLO CNc1cc(N[C@@H](C)c2ccnn2C)[nH+]cn1 ZINC000895036081 583570286 /nfs/dbraw/zinc/57/02/86/583570286.db2.gz YGVWYVXWHZOEDI-QMMMGPOBSA-N 1 2 232.291 1.425 20 0 BDADLO Cc1cc(N(C)Cc2ncccn2)nc[nH+]1 ZINC000895062794 583577420 /nfs/dbraw/zinc/57/74/20/583577420.db2.gz QVMRSLJAJWNCCU-UHFFFAOYSA-N 1 2 215.260 1.211 20 0 BDADLO c1cc(CN2CCc3[nH+]c[nH]c3C23CCC3)no1 ZINC000895069395 583578967 /nfs/dbraw/zinc/57/89/67/583578967.db2.gz XRTHIVSHDZFELV-UHFFFAOYSA-N 1 2 244.298 1.835 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)N1CCCCC1 ZINC000895078220 583582198 /nfs/dbraw/zinc/58/21/98/583582198.db2.gz SWSSPIVYTAWBTD-JTQLQIEISA-N 1 2 234.303 1.523 20 0 BDADLO Cc1cnnn1-c1ccc([NH2+][C@@H](C)CCO)cc1 ZINC000895107228 583590089 /nfs/dbraw/zinc/59/00/89/583590089.db2.gz KQHMVGOAGVRGME-JTQLQIEISA-N 1 2 246.314 1.759 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccsc2)[C@H]1C ZINC000895113227 583590996 /nfs/dbraw/zinc/59/09/96/583590996.db2.gz HQUDAGPCCQDTGS-GUBZILKMSA-N 1 2 238.356 1.845 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccsc2)[C@H]1C ZINC000895113227 583590999 /nfs/dbraw/zinc/59/09/99/583590999.db2.gz HQUDAGPCCQDTGS-GUBZILKMSA-N 1 2 238.356 1.845 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccncc1 ZINC000895115829 583591456 /nfs/dbraw/zinc/59/14/56/583591456.db2.gz QIKLDHNWYRDBNX-GARJFASQSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccncc1 ZINC000895115829 583591458 /nfs/dbraw/zinc/59/14/58/583591458.db2.gz QIKLDHNWYRDBNX-GARJFASQSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccco1 ZINC000895112737 583591664 /nfs/dbraw/zinc/59/16/64/583591664.db2.gz GBIPBMDTWBSQOH-AEJSXWLSSA-N 1 2 222.288 1.377 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccco1 ZINC000895112737 583591666 /nfs/dbraw/zinc/59/16/66/583591666.db2.gz GBIPBMDTWBSQOH-AEJSXWLSSA-N 1 2 222.288 1.377 20 0 BDADLO Cc1nocc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895119232 583592749 /nfs/dbraw/zinc/59/27/49/583592749.db2.gz WPRVXOMDEUBZCD-SZEHBUNVSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1nocc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895119232 583592751 /nfs/dbraw/zinc/59/27/51/583592751.db2.gz WPRVXOMDEUBZCD-SZEHBUNVSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cc(N2CC=C[C@@H]2CO)nc(C2CCC2)[nH+]1 ZINC000895161636 583610309 /nfs/dbraw/zinc/61/03/09/583610309.db2.gz CRAOPNGMEZEYAN-GFCCVEGCSA-N 1 2 245.326 1.790 20 0 BDADLO CCc1cc[nH+]cc1NC1CCS(=O)CC1 ZINC000895166013 583611502 /nfs/dbraw/zinc/61/15/02/583611502.db2.gz PMYGQEOARYOTJO-UHFFFAOYSA-N 1 2 238.356 1.967 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1n[nH]c(=O)n1C ZINC000895171416 583612546 /nfs/dbraw/zinc/61/25/46/583612546.db2.gz JSAOLSUPINUPQQ-PRJMDXOYSA-N 1 2 242.348 1.065 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)C2N=NC(=O)N2C)o1 ZINC000895182945 583617792 /nfs/dbraw/zinc/61/77/92/583617792.db2.gz FZEKCKGTWGQJPP-MRVPVSSYSA-N 1 2 236.275 1.273 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1C ZINC000895260768 583634373 /nfs/dbraw/zinc/63/43/73/583634373.db2.gz SAVPCQQGJUQKDX-WOFXILAISA-N 1 2 237.347 1.475 20 0 BDADLO COCC[N@H+](CCF)Cc1cnc(F)cc1C ZINC000895354831 583657227 /nfs/dbraw/zinc/65/72/27/583657227.db2.gz HHUAUIDEGFYLGG-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnc(F)cc1C ZINC000895354831 583657228 /nfs/dbraw/zinc/65/72/28/583657228.db2.gz HHUAUIDEGFYLGG-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO C[N@H+](CCC1CCCCC1)C1CS(=O)(=O)C1 ZINC000895396656 583664628 /nfs/dbraw/zinc/66/46/28/583664628.db2.gz AIHLIHDIWBFIGZ-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO C[N@@H+](CCC1CCCCC1)C1CS(=O)(=O)C1 ZINC000895396656 583664629 /nfs/dbraw/zinc/66/46/29/583664629.db2.gz AIHLIHDIWBFIGZ-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO CC(C)(CN1CC[C@H]1C(F)F)[NH+]1CCOCC1 ZINC000895431103 583670308 /nfs/dbraw/zinc/67/03/08/583670308.db2.gz JPIXEEDGNSGGIP-JTQLQIEISA-N 1 2 248.317 1.437 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@H]1C(F)F)C1CC1 ZINC000895431435 583671012 /nfs/dbraw/zinc/67/10/12/583671012.db2.gz MSSIPYOJDFUMPH-IUCAKERBSA-N 1 2 205.248 1.751 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@H]1C(F)F)C1CC1 ZINC000895431435 583671013 /nfs/dbraw/zinc/67/10/13/583671013.db2.gz MSSIPYOJDFUMPH-IUCAKERBSA-N 1 2 205.248 1.751 20 0 BDADLO CSc1ccc(C[NH2+]C2(C)COC2)o1 ZINC000895444347 583674767 /nfs/dbraw/zinc/67/47/67/583674767.db2.gz RLTXPCYORHYHKW-UHFFFAOYSA-N 1 2 213.302 1.880 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC(OC(C)(C)C)C1 ZINC000895466165 583679079 /nfs/dbraw/zinc/67/90/79/583679079.db2.gz DYWKNGMAATWAMZ-UHFFFAOYSA-N 1 2 249.358 1.972 20 0 BDADLO CC/C(C)=C(\C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885940 588921124 /nfs/dbraw/zinc/92/11/24/588921124.db2.gz BRFIHPYRRPCMCB-PBQZMEPESA-N 1 2 233.315 1.670 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888494 588921224 /nfs/dbraw/zinc/92/12/24/588921224.db2.gz VKZKNUZKERRMIF-LLGDCAAFSA-N 1 2 219.288 1.280 20 0 BDADLO CC(Cl)(Cl)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887394 588921325 /nfs/dbraw/zinc/92/13/25/588921325.db2.gz QDYFQTKPPLGCIO-LURJTMIESA-N 1 2 248.113 1.118 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)no1 ZINC000895522929 583686276 /nfs/dbraw/zinc/68/62/76/583686276.db2.gz WZKALAWSMVQGLM-VIFPVBQESA-N 1 2 237.303 1.794 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)no1 ZINC000895522929 583686278 /nfs/dbraw/zinc/68/62/78/583686278.db2.gz WZKALAWSMVQGLM-VIFPVBQESA-N 1 2 237.303 1.794 20 0 BDADLO CCCn1cc(C[NH+]2CCC(F)CC2)nn1 ZINC000895546641 583689862 /nfs/dbraw/zinc/68/98/62/583689862.db2.gz RLOOGVUIUUFYPC-UHFFFAOYSA-N 1 2 226.299 1.622 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857892960 588921824 /nfs/dbraw/zinc/92/18/24/588921824.db2.gz NAKGJERUPSTERK-PQSAUHCHSA-N 1 2 217.272 1.056 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cnc(F)c(C)c2)n1 ZINC000895559613 583691385 /nfs/dbraw/zinc/69/13/85/583691385.db2.gz DLYYOPJZEWPOOD-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608620 583695602 /nfs/dbraw/zinc/69/56/02/583695602.db2.gz QVIJSCYSIIKUTI-WDEREUQCSA-N 1 2 249.314 1.035 20 0 BDADLO CCCS(=O)(=O)N1c2cc[nH+]cc2C[C@@H]1C ZINC000857900247 588922233 /nfs/dbraw/zinc/92/22/33/588922233.db2.gz ZTLBQRVBGUNPLP-VIFPVBQESA-N 1 2 240.328 1.572 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+][C@H](C)C(F)F)cc1C ZINC000895724990 583713140 /nfs/dbraw/zinc/71/31/40/583713140.db2.gz JZZCAPCLZJZFSY-SSDOTTSWSA-N 1 2 246.257 1.853 20 0 BDADLO COC(=O)c1sccc1C[NH2+]C1(C)COC1 ZINC000895754256 583720514 /nfs/dbraw/zinc/72/05/14/583720514.db2.gz MHXBLHCHEXRQFR-UHFFFAOYSA-N 1 2 241.312 1.413 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCCn3nncc3C2)c1C ZINC000895757674 583721163 /nfs/dbraw/zinc/72/11/63/583721163.db2.gz VOSDFADHQRKYGW-UHFFFAOYSA-N 1 2 246.318 1.024 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCCn3nncc3C2)c1C ZINC000895757674 583721165 /nfs/dbraw/zinc/72/11/65/583721165.db2.gz VOSDFADHQRKYGW-UHFFFAOYSA-N 1 2 246.318 1.024 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@@H](C)CC1 ZINC000895761810 583722032 /nfs/dbraw/zinc/72/20/32/583722032.db2.gz IBLFQLOWSORHME-JTQLQIEISA-N 1 2 222.288 1.705 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)CCO1 ZINC000895764658 583722780 /nfs/dbraw/zinc/72/27/80/583722780.db2.gz IYHXQMVVXMWRRQ-SNVBAGLBSA-N 1 2 232.287 1.345 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857948765 588924783 /nfs/dbraw/zinc/92/47/83/588924783.db2.gz QHYFXZIYWSPYQW-QMMMGPOBSA-N 1 2 225.267 1.062 20 0 BDADLO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCOC1=O ZINC000895808962 583729308 /nfs/dbraw/zinc/72/93/08/583729308.db2.gz ONETWMVZSPSTGP-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ccc2[nH+]cc(CN[C@H]3CCOC3=O)n2c1 ZINC000895801539 583730924 /nfs/dbraw/zinc/73/09/24/583730924.db2.gz KIUNQEDCGIQJAX-NSHDSACASA-N 1 2 245.282 1.048 20 0 BDADLO CC(C)(C[NH2+][C@H]1CCOC1=O)c1ccccc1 ZINC000895801946 583731012 /nfs/dbraw/zinc/73/10/12/583731012.db2.gz NHNXQEBHISQUOS-LBPRGKRZSA-N 1 2 233.311 1.869 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)Nc1nccs1 ZINC000895800221 583731142 /nfs/dbraw/zinc/73/11/42/583731142.db2.gz XDSYFWNPNXHPMU-SNVBAGLBSA-N 1 2 241.360 1.666 20 0 BDADLO CO[C@H](C[NH2+][C@H]1CCOC1=O)Cc1ccccc1 ZINC000895808352 583732486 /nfs/dbraw/zinc/73/24/86/583732486.db2.gz GIXZMARWDYRKPN-STQMWFEESA-N 1 2 249.310 1.149 20 0 BDADLO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC2=O)C1 ZINC000895812180 583733365 /nfs/dbraw/zinc/73/33/65/583733365.db2.gz NXDUHLWUMYHNFQ-AXFHLTTASA-N 1 2 227.304 1.239 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1C1CCC1 ZINC000857976547 588926088 /nfs/dbraw/zinc/92/60/88/588926088.db2.gz HAQJZZVVIHJZEX-QJPTWQEYSA-N 1 2 245.326 1.880 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857974062 588926258 /nfs/dbraw/zinc/92/62/58/588926258.db2.gz FEHYZTHUYCTXLC-JTQLQIEISA-N 1 2 231.255 1.659 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857975367 588926440 /nfs/dbraw/zinc/92/64/40/588926440.db2.gz MYTZSJKHWNLJJE-NXEZZACHSA-N 1 2 233.315 1.880 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccn(C)c2)C1 ZINC000895954944 583752003 /nfs/dbraw/zinc/75/20/03/583752003.db2.gz KFCOMKFCGYMXTP-UHFFFAOYSA-N 1 2 208.305 1.634 20 0 BDADLO CC(C)OC1C[NH+](Cc2cccn2C)C1 ZINC000895953284 583752038 /nfs/dbraw/zinc/75/20/38/583752038.db2.gz WFHUXSVBJBNXMU-UHFFFAOYSA-N 1 2 208.305 1.634 20 0 BDADLO CC(C)OC1C[NH+](Cc2c3c(nn2C)CCC3)C1 ZINC000895956783 583752470 /nfs/dbraw/zinc/75/24/70/583752470.db2.gz SUBHUQSSZGMXKQ-UHFFFAOYSA-N 1 2 249.358 1.518 20 0 BDADLO COCC1C[NH+](Cc2ccc(Cl)cn2)C1 ZINC000895976255 583753156 /nfs/dbraw/zinc/75/31/56/583753156.db2.gz MWLWPUPHYLEOMZ-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc3n[nH]cc32)CCO1 ZINC000895963615 583754046 /nfs/dbraw/zinc/75/40/46/583754046.db2.gz QVUPEHQFGBEENW-CYBMUJFWSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc3n[nH]cc32)CCO1 ZINC000895963615 583754048 /nfs/dbraw/zinc/75/40/48/583754048.db2.gz QVUPEHQFGBEENW-CYBMUJFWSA-N 1 2 247.298 1.368 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978689 588926606 /nfs/dbraw/zinc/92/66/06/588926606.db2.gz QCIYLGKDAHAPPY-SNVBAGLBSA-N 1 2 233.315 1.880 20 0 BDADLO COCC1C[NH+](Cc2c(F)ccc(O)c2F)C1 ZINC000895969867 583755651 /nfs/dbraw/zinc/75/56/51/583755651.db2.gz OXHMORQRYQVPSO-UHFFFAOYSA-N 1 2 243.253 1.749 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC1(F)F ZINC000857976914 588926729 /nfs/dbraw/zinc/92/67/29/588926729.db2.gz OMAYAZNSKDIOGA-NKWVEPMBSA-N 1 2 227.214 1.099 20 0 BDADLO CO[C@@](C)(C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978203 588926739 /nfs/dbraw/zinc/92/67/39/588926739.db2.gz MCTBRUSDRNTVGF-GXFFZTMASA-N 1 2 249.314 1.259 20 0 BDADLO COCC1C[NH+](Cc2nc3ccccc3n2C)C1 ZINC000895971861 583755888 /nfs/dbraw/zinc/75/58/88/583755888.db2.gz VEXHTPAFEUFMHM-UHFFFAOYSA-N 1 2 245.326 1.652 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980426 588927307 /nfs/dbraw/zinc/92/73/07/588927307.db2.gz YHANKRRMTIILMO-IWSPIJDZSA-N 1 2 205.261 1.100 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)ccn1 ZINC000857979495 588927675 /nfs/dbraw/zinc/92/76/75/588927675.db2.gz PKDBGCWOCFNFJX-LLVKDONJSA-N 1 2 242.282 1.461 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cncs1 ZINC000857981445 588927741 /nfs/dbraw/zinc/92/77/41/588927741.db2.gz DYBCPIRUPHDWFZ-ZETCQYMHSA-N 1 2 234.284 1.214 20 0 BDADLO CC(Cl)(Cl)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981387 588928019 /nfs/dbraw/zinc/92/80/19/588928019.db2.gz COFWTKOXFJZUIP-ZCFIWIBFSA-N 1 2 248.113 1.638 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000857982897 588928027 /nfs/dbraw/zinc/92/80/27/588928027.db2.gz NZMSMGXZGMYRQN-MIZYBKAJSA-N 1 2 231.299 1.490 20 0 BDADLO O=C(CC[C@H]1CCOC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983014 588928041 /nfs/dbraw/zinc/92/80/41/588928041.db2.gz ODWLTBQNALGZJJ-WDEREUQCSA-N 1 2 249.314 1.261 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982528 588928095 /nfs/dbraw/zinc/92/80/95/588928095.db2.gz PFNFARRNSFZAOW-INJWIWPUSA-N 1 2 231.299 1.967 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCOC1 ZINC000857983350 588928389 /nfs/dbraw/zinc/92/83/89/588928389.db2.gz ZYEUTAPZXWJYTQ-GXFFZTMASA-N 1 2 249.314 1.261 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCSC1 ZINC000857983760 588928561 /nfs/dbraw/zinc/92/85/61/588928561.db2.gz UKIKLTBBBVRGPX-RKDXNWHRSA-N 1 2 237.328 1.197 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857983774 588928572 /nfs/dbraw/zinc/92/85/72/588928572.db2.gz UYZUGHMRCGLZOW-SCZZXKLOSA-N 1 2 219.288 1.490 20 0 BDADLO CS/C=C/C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985025 588928792 /nfs/dbraw/zinc/92/87/92/588928792.db2.gz FYMJJVGYSXRFSQ-WGAJWPLOSA-N 1 2 223.301 1.321 20 0 BDADLO CCCSCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985468 588929073 /nfs/dbraw/zinc/92/90/73/588929073.db2.gz KSWKFAMIXYGIIV-SECBINFHSA-N 1 2 239.344 1.587 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986839 588929455 /nfs/dbraw/zinc/92/94/55/588929455.db2.gz XEYCPZVVCRITPR-ONGXEEELSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccoc1 ZINC000857989379 588929655 /nfs/dbraw/zinc/92/96/55/588929655.db2.gz QKLULKUYHXXYPT-VIFPVBQESA-N 1 2 217.228 1.351 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H]1C[C@H]1C)CCN2 ZINC000857994067 588929773 /nfs/dbraw/zinc/92/97/73/588929773.db2.gz AYBMXTYRBLJBHO-ZJUUUORDSA-N 1 2 231.299 1.805 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC=CCC1 ZINC000857991290 588929863 /nfs/dbraw/zinc/92/98/63/588929863.db2.gz WYELRQKONOLKOS-GHMZBOCLSA-N 1 2 231.299 1.800 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989845 588929904 /nfs/dbraw/zinc/92/99/04/588929904.db2.gz QDORLVDGBZDLPC-SNVBAGLBSA-N 1 2 221.304 1.880 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1CC1)CCN2 ZINC000857994807 588929976 /nfs/dbraw/zinc/92/99/76/588929976.db2.gz QOWZPCKBOCOTJS-UHFFFAOYSA-N 1 2 217.272 1.559 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccs1 ZINC000857989513 588930146 /nfs/dbraw/zinc/93/01/46/588930146.db2.gz ICQAPGTVSQJAMY-QMMMGPOBSA-N 1 2 233.296 1.819 20 0 BDADLO CCO[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000896404868 583799802 /nfs/dbraw/zinc/79/98/02/583799802.db2.gz GWDLWAVEPBGPLL-VIFPVBQESA-N 1 2 210.252 1.836 20 0 BDADLO CCO[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000896407776 583800481 /nfs/dbraw/zinc/80/04/81/583800481.db2.gz XNQIJEFVQCBIAR-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO CCc1nc(NCCO[C@@H]2CCOC2)cc[nH+]1 ZINC000896471932 583803280 /nfs/dbraw/zinc/80/32/80/583803280.db2.gz HYCWPMBKFTZNFX-SNVBAGLBSA-N 1 2 237.303 1.256 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1(C)CC1)CCN2 ZINC000857997497 588930571 /nfs/dbraw/zinc/93/05/71/588930571.db2.gz OSHKDMUKWPWRSX-UHFFFAOYSA-N 1 2 231.299 1.949 20 0 BDADLO c1ccc(NCCO[C@H]2CCOC2)[nH+]c1 ZINC000896480111 583805536 /nfs/dbraw/zinc/80/55/36/583805536.db2.gz LJJQQPHQWBZZAX-JTQLQIEISA-N 1 2 208.261 1.299 20 0 BDADLO COc1nccnc1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896577024 583813518 /nfs/dbraw/zinc/81/35/18/583813518.db2.gz HTVNOPPYBFNAKG-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@H+]1CCO[C@@H](C)CC1 ZINC000896577024 583813520 /nfs/dbraw/zinc/81/35/20/583813520.db2.gz HTVNOPPYBFNAKG-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ncccc1F)C2 ZINC000896660358 583820882 /nfs/dbraw/zinc/82/08/82/583820882.db2.gz XHVOLRPSEXCQNG-UHFFFAOYSA-N 1 2 246.289 2.000 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(-c2cc[nH]c(=O)c2)no1 ZINC000896897375 583849269 /nfs/dbraw/zinc/84/92/69/583849269.db2.gz IZMWXNNWCOQTJC-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(-c2cc[nH]c(=O)c2)no1 ZINC000896897375 583849271 /nfs/dbraw/zinc/84/92/71/583849271.db2.gz IZMWXNNWCOQTJC-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO Cc1[nH]c(CNC(=O)CC2CSC2)[nH+]c1C ZINC000896907196 583851575 /nfs/dbraw/zinc/85/15/75/583851575.db2.gz JCRMMHSMCDFPEC-UHFFFAOYSA-N 1 2 239.344 1.396 20 0 BDADLO CCC(F)(F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907127 583851618 /nfs/dbraw/zinc/85/16/18/583851618.db2.gz ILHLVBRYHAWQPR-UHFFFAOYSA-N 1 2 231.246 1.688 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C)[nH+]c1C ZINC000896912665 583853662 /nfs/dbraw/zinc/85/36/62/583853662.db2.gz CLAPFSGLNGULHU-VHSXEESVSA-N 1 2 237.303 1.068 20 0 BDADLO COCC(C)(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896916913 583855620 /nfs/dbraw/zinc/85/56/20/583855620.db2.gz SZDVXBZNXATXQE-UHFFFAOYSA-N 1 2 239.319 1.315 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H](C)C(C)C)[nH+]c1C ZINC000896919007 583856057 /nfs/dbraw/zinc/85/60/57/583856057.db2.gz IMCRQBXANWJKAU-QMMMGPOBSA-N 1 2 223.320 1.935 20 0 BDADLO CCO[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922364 583857181 /nfs/dbraw/zinc/85/71/81/583857181.db2.gz NUOQVWXDNMJJON-VIFPVBQESA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(=O)NOC ZINC000896924449 583857819 /nfs/dbraw/zinc/85/78/19/583857819.db2.gz MPKKPUVXCNOXKR-ONGXEEELSA-N 1 2 214.309 1.222 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000896925718 583858151 /nfs/dbraw/zinc/85/81/51/583858151.db2.gz OCVSNOIDIKBEJB-MNOVXSKESA-N 1 2 226.320 1.222 20 0 BDADLO CONC(=O)C[NH2+]C1CCc2ccccc2CC1 ZINC000896927315 583859108 /nfs/dbraw/zinc/85/91/08/583859108.db2.gz PTHSHCPRRXJAGG-UHFFFAOYSA-N 1 2 248.326 1.201 20 0 BDADLO Cc1ccoc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896927864 583859157 /nfs/dbraw/zinc/85/91/57/583859157.db2.gz NURWPJFWNIJBLJ-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO Cc1ccc(NC(=O)N2CCCOCC2)c(C)[nH+]1 ZINC000336313122 583859517 /nfs/dbraw/zinc/85/95/17/583859517.db2.gz VIWQIVHJDYJKRC-UHFFFAOYSA-N 1 2 249.314 1.953 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897034267 583872049 /nfs/dbraw/zinc/87/20/49/583872049.db2.gz JVSFPLXDEUNZLB-UHFFFAOYSA-N 1 2 249.358 1.845 20 0 BDADLO OC1(C2CCC2)CC[NH+](Cc2cocn2)CC1 ZINC000897037089 583872592 /nfs/dbraw/zinc/87/25/92/583872592.db2.gz SOMPTMJAEXDEEX-UHFFFAOYSA-N 1 2 236.315 1.802 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cc(COC)on2)C1 ZINC000897068231 583877147 /nfs/dbraw/zinc/87/71/47/583877147.db2.gz RLFGHYZKPDTMQL-NSHDSACASA-N 1 2 240.303 1.432 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cc(COC)on2)C1 ZINC000897068231 583877149 /nfs/dbraw/zinc/87/71/49/583877149.db2.gz RLFGHYZKPDTMQL-NSHDSACASA-N 1 2 240.303 1.432 20 0 BDADLO CCc1cc(N2CC[C@H]2CO)nc(CC)[nH+]1 ZINC000897119004 583882611 /nfs/dbraw/zinc/88/26/11/583882611.db2.gz RYBPCLHUMJKIPI-JTQLQIEISA-N 1 2 221.304 1.172 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000897295229 583911812 /nfs/dbraw/zinc/91/18/12/583911812.db2.gz NKFOQHQRVHUSHF-HBNTYKKESA-N 1 2 249.314 1.498 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@@H](O)[C@@H](F)C1 ZINC000897377374 583946250 /nfs/dbraw/zinc/94/62/50/583946250.db2.gz FKVLKBXXDYSBNR-JOYOIKCWSA-N 1 2 249.289 1.482 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H](O)C1CC1 ZINC000897384775 583947074 /nfs/dbraw/zinc/94/70/74/583947074.db2.gz NPXXYMAEARQLBU-JTQLQIEISA-N 1 2 237.303 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@@H](O)C1CC1 ZINC000897384776 583947079 /nfs/dbraw/zinc/94/70/79/583947079.db2.gz NPXXYMAEARQLBU-SNVBAGLBSA-N 1 2 237.303 1.367 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1CC ZINC000862403977 583962262 /nfs/dbraw/zinc/96/22/62/583962262.db2.gz ZNCXOUIYRSELLO-RYUDHWBXSA-N 1 2 242.363 1.860 20 0 BDADLO Cc1cnc2c(c1)N(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000888144712 583971237 /nfs/dbraw/zinc/97/12/37/583971237.db2.gz QYPVSYGTLMEJNY-UHFFFAOYSA-N 1 2 242.282 1.245 20 0 BDADLO CCC/C=C\C(=O)N(C)CC[NH+]1CCOCC1 ZINC000729364937 583994789 /nfs/dbraw/zinc/99/47/89/583994789.db2.gz KIXDAWGZLMEZDI-WAYWQWQTSA-N 1 2 240.347 1.133 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C\Cl)nc[nH+]1 ZINC000897504833 583998155 /nfs/dbraw/zinc/99/81/55/583998155.db2.gz FTHNZBKVFTTZIR-KZUAUGPASA-N 1 2 242.710 1.434 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C\Cl)[nH+]cn1 ZINC000897504833 583998157 /nfs/dbraw/zinc/99/81/57/583998157.db2.gz FTHNZBKVFTTZIR-KZUAUGPASA-N 1 2 242.710 1.434 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC(C)C2)c[nH+]1 ZINC000897578371 584020005 /nfs/dbraw/zinc/02/00/05/584020005.db2.gz RMLBNTUBLSUIRC-UHFFFAOYSA-N 1 2 221.304 1.405 20 0 BDADLO Cc1ncccc1C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897752667 584044097 /nfs/dbraw/zinc/04/40/97/584044097.db2.gz NBDUESOCDPPIMN-UHFFFAOYSA-N 1 2 247.298 1.074 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000897730040 584045877 /nfs/dbraw/zinc/04/58/77/584045877.db2.gz IZIXNJOBUWQCPD-NEPJUHHUSA-N 1 2 247.342 1.938 20 0 BDADLO Cc1ccc(C[NH+]2CC(N3CCCC3=O)C2)o1 ZINC000897789782 584048164 /nfs/dbraw/zinc/04/81/64/584048164.db2.gz KTJYUMOAERSIOS-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CS[C@@H](C)C1)C(=O)OC ZINC000897834658 584052659 /nfs/dbraw/zinc/05/26/59/584052659.db2.gz VCXYNMNCEFCTOA-IVZWLZJFSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OC ZINC000897834127 584053089 /nfs/dbraw/zinc/05/30/89/584053089.db2.gz JSPGJKWIYIUJTE-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO CCc1nc(C[NH2+][C@]2(C)CCNC2=O)cs1 ZINC000897871209 584055919 /nfs/dbraw/zinc/05/59/19/584055919.db2.gz JLVLFNNYNOCKHL-LLVKDONJSA-N 1 2 239.344 1.074 20 0 BDADLO Cc1noc(C2([NH2+]Cc3cc[nH]c(=O)c3)CC2)n1 ZINC000897896014 584058387 /nfs/dbraw/zinc/05/83/87/584058387.db2.gz NRZHGNLUZFMCQC-UHFFFAOYSA-N 1 2 246.270 1.258 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ccc(C)o1 ZINC000898027979 584076477 /nfs/dbraw/zinc/07/64/77/584076477.db2.gz GMZPGBICNRDFPW-UHFFFAOYSA-N 1 2 235.287 1.620 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1nccs1 ZINC000898028383 584076949 /nfs/dbraw/zinc/07/69/49/584076949.db2.gz NWAZVBYHDYJLOV-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ccoc1 ZINC000898027958 584076968 /nfs/dbraw/zinc/07/69/68/584076968.db2.gz FRAWOYSJWQMIIE-UHFFFAOYSA-N 1 2 221.260 1.312 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000898043151 584080572 /nfs/dbraw/zinc/08/05/72/584080572.db2.gz GMQNWRPEWHEALO-CYBMUJFWSA-N 1 2 242.326 1.982 20 0 BDADLO Cn1c[nH+]c(CNCc2nc(Cl)cs2)c1 ZINC000898043403 584080945 /nfs/dbraw/zinc/08/09/45/584080945.db2.gz NXPPJROFTJXITP-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CCn1ncc(C[NH+]2CC(Cc3ccoc3)C2)n1 ZINC000898160077 584087813 /nfs/dbraw/zinc/08/78/13/584087813.db2.gz PWCVBVTTWHBNNF-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO c1cc(CC2C[NH+](Cc3cnccn3)C2)co1 ZINC000898160052 584087937 /nfs/dbraw/zinc/08/79/37/584087937.db2.gz OSSNMXQMWKJXLD-UHFFFAOYSA-N 1 2 229.283 1.744 20 0 BDADLO OCCc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000898170617 584088834 /nfs/dbraw/zinc/08/88/34/584088834.db2.gz IYDRIDHFTVEQSA-UHFFFAOYSA-N 1 2 232.283 1.499 20 0 BDADLO CC(C)c1c[nH]c(CN2CC[C@@H](O)[C@@H](F)C2)[nH+]1 ZINC000898183083 584092873 /nfs/dbraw/zinc/09/28/73/584092873.db2.gz HFNZTLZMIPSTPQ-GXSJLCMTSA-N 1 2 241.310 1.438 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898182844 584093039 /nfs/dbraw/zinc/09/30/39/584093039.db2.gz GRRSOYBLJIGRDB-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898182844 584093040 /nfs/dbraw/zinc/09/30/40/584093040.db2.gz GRRSOYBLJIGRDB-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO FC(F)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000801562780 584127776 /nfs/dbraw/zinc/12/77/76/584127776.db2.gz FHRSYICVUWPWAQ-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000801562780 584127778 /nfs/dbraw/zinc/12/77/78/584127778.db2.gz FHRSYICVUWPWAQ-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO O=C(C=C(C1CC1)C1CC1)NCCc1[nH]cc[nH+]1 ZINC000746243568 584128541 /nfs/dbraw/zinc/12/85/41/584128541.db2.gz XNRSHDRLFNWYHZ-UHFFFAOYSA-N 1 2 245.326 1.815 20 0 BDADLO Cn1c(Cl)cnc1C[NH2+]C/C=C\Cl ZINC000898429055 584132875 /nfs/dbraw/zinc/13/28/75/584132875.db2.gz LVPBAAHECPVBFU-IHWYPQMZSA-N 1 2 220.103 1.916 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488988 584139707 /nfs/dbraw/zinc/13/97/07/584139707.db2.gz LGBDOIRYFSDUSM-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488988 584139708 /nfs/dbraw/zinc/13/97/08/584139708.db2.gz LGBDOIRYFSDUSM-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)NCc1cn(C)c[nH+]1 ZINC000898628121 584147248 /nfs/dbraw/zinc/14/72/48/584147248.db2.gz QSSAGLNFECDEFG-AOOOYVTPSA-N 1 2 236.319 1.503 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898626219 584147883 /nfs/dbraw/zinc/14/78/83/584147883.db2.gz CWMQVDMUFSHCQT-VHSXEESVSA-N 1 2 236.319 1.360 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CC3CC2(C)C3)c1 ZINC000898616758 584147899 /nfs/dbraw/zinc/14/78/99/584147899.db2.gz UQODNBSWEXDXPV-UHFFFAOYSA-N 1 2 234.303 1.114 20 0 BDADLO Cc1conc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898809565 584159938 /nfs/dbraw/zinc/15/99/38/584159938.db2.gz BBSDJGQIEHYODP-QMMMGPOBSA-N 1 2 232.243 1.054 20 0 BDADLO CCn1cc(C[N@H+]2CC=C(COC)CC2)nn1 ZINC000898802623 584160717 /nfs/dbraw/zinc/16/07/17/584160717.db2.gz IMKGEMYCSXYGLU-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1cc(C[N@@H+]2CC=C(COC)CC2)nn1 ZINC000898802623 584160718 /nfs/dbraw/zinc/16/07/18/584160718.db2.gz IMKGEMYCSXYGLU-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCC(CC)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884462 584163730 /nfs/dbraw/zinc/16/37/30/584163730.db2.gz RIEIPLSMLOEHMR-SNVBAGLBSA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)(CNC(=O)Cc1ccco1)n1cc[nH+]c1 ZINC000898905237 584165439 /nfs/dbraw/zinc/16/54/39/584165439.db2.gz UVNVGPIRBNBMJX-UHFFFAOYSA-N 1 2 247.298 1.570 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898905944 584165526 /nfs/dbraw/zinc/16/55/26/584165526.db2.gz IZYXKQMTBRJGQL-SNVBAGLBSA-N 1 2 241.310 1.729 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(CC)nn2)CCCO1 ZINC000898917542 584165751 /nfs/dbraw/zinc/16/57/51/584165751.db2.gz NLOFRYGKTBDFFD-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(CC)nn2)CCCO1 ZINC000898917542 584165753 /nfs/dbraw/zinc/16/57/53/584165753.db2.gz NLOFRYGKTBDFFD-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@@H](C(F)F)C1 ZINC000858531402 588963233 /nfs/dbraw/zinc/96/32/33/588963233.db2.gz FLRXLJSXQUYGMG-SECBINFHSA-N 1 2 244.241 1.561 20 0 BDADLO CN(CCCF)C(=O)CCc1c[nH+]c[nH]1 ZINC000899811762 584238578 /nfs/dbraw/zinc/23/85/78/584238578.db2.gz PPMBOCFNJDLESX-UHFFFAOYSA-N 1 2 213.256 1.160 20 0 BDADLO CN(CCCF)C(=O)CCc1c[nH]c[nH+]1 ZINC000899811762 584238579 /nfs/dbraw/zinc/23/85/79/584238579.db2.gz PPMBOCFNJDLESX-UHFFFAOYSA-N 1 2 213.256 1.160 20 0 BDADLO Cc1[nH+]c2ccccc2n1C[C@@H](O)C1(O)CCC1 ZINC000899855508 584243103 /nfs/dbraw/zinc/24/31/03/584243103.db2.gz GIYPITFCEGQTFE-CYBMUJFWSA-N 1 2 246.310 1.621 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1CCCCC1 ZINC000899920928 584251974 /nfs/dbraw/zinc/25/19/74/584251974.db2.gz VJQTVAABZQYEAC-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC1CCCCC1 ZINC000899920928 584251977 /nfs/dbraw/zinc/25/19/77/584251977.db2.gz VJQTVAABZQYEAC-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000899936731 584258187 /nfs/dbraw/zinc/25/81/87/584258187.db2.gz FUUJHFDUDKJXFT-ONGXEEELSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000899936731 584258188 /nfs/dbraw/zinc/25/81/88/584258188.db2.gz FUUJHFDUDKJXFT-ONGXEEELSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000899981453 584262138 /nfs/dbraw/zinc/26/21/38/584262138.db2.gz RAXZDRFOILWEND-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)c1cccnc1 ZINC000899981453 584262141 /nfs/dbraw/zinc/26/21/41/584262141.db2.gz RAXZDRFOILWEND-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1nc2c(s1)CCC2 ZINC000900018625 584266900 /nfs/dbraw/zinc/26/69/00/584266900.db2.gz PMYCNSMTLRVIBI-UHFFFAOYSA-N 1 2 248.311 1.536 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nc2c(s1)CCC2 ZINC000900018625 584266901 /nfs/dbraw/zinc/26/69/01/584266901.db2.gz PMYCNSMTLRVIBI-UHFFFAOYSA-N 1 2 248.311 1.536 20 0 BDADLO C[C@@H]1c2cccn2CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900115199 584274417 /nfs/dbraw/zinc/27/44/17/584274417.db2.gz SUBHYMLBIHNJKA-SNVBAGLBSA-N 1 2 244.298 1.357 20 0 BDADLO C[C@H]1c2cccn2CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900115196 584274529 /nfs/dbraw/zinc/27/45/29/584274529.db2.gz SUBHYMLBIHNJKA-JTQLQIEISA-N 1 2 244.298 1.357 20 0 BDADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900118374 584274766 /nfs/dbraw/zinc/27/47/66/584274766.db2.gz FZRVJOVLPQKGEE-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1CN(C(=O)CNc2cccc[nH+]2)CCO1 ZINC000900107664 584276494 /nfs/dbraw/zinc/27/64/94/584276494.db2.gz UGMYWRLJJYRXAE-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CCN(CC(C)C)C(=O)CNc1cccc[nH+]1 ZINC000900144622 584277033 /nfs/dbraw/zinc/27/70/33/584277033.db2.gz ILOWOAZZCCTDPL-UHFFFAOYSA-N 1 2 235.331 1.998 20 0 BDADLO CCCN(CC)C(=O)CNc1cccc[nH+]1 ZINC000900144471 584277110 /nfs/dbraw/zinc/27/71/10/584277110.db2.gz ZUKFJUSHALOWAU-UHFFFAOYSA-N 1 2 221.304 1.752 20 0 BDADLO C/C(=C(\F)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000900193111 584284892 /nfs/dbraw/zinc/28/48/92/584284892.db2.gz ADCFLTLSLMVFCI-PKNBQFBNSA-N 1 2 237.278 1.653 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900203887 584285771 /nfs/dbraw/zinc/28/57/71/584285771.db2.gz NMWJQPGXDATOIA-NXEZZACHSA-N 1 2 219.288 1.266 20 0 BDADLO C[C@@H](Cc1ccsc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900320767 584294673 /nfs/dbraw/zinc/29/46/73/584294673.db2.gz IWUOOAPPMARGMP-VIFPVBQESA-N 1 2 249.339 1.761 20 0 BDADLO C[C@@H](Cc1ccsc1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900320767 584294674 /nfs/dbraw/zinc/29/46/74/584294674.db2.gz IWUOOAPPMARGMP-VIFPVBQESA-N 1 2 249.339 1.761 20 0 BDADLO C[C@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900372038 584298200 /nfs/dbraw/zinc/29/82/00/584298200.db2.gz NCQKBVDFHMJILN-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900372038 584298201 /nfs/dbraw/zinc/29/82/01/584298201.db2.gz NCQKBVDFHMJILN-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)c1nc(N[C@H]2C[C@H](C(N)=O)C2)cc[nH+]1 ZINC000858721085 588975236 /nfs/dbraw/zinc/97/52/36/588975236.db2.gz OIJLKNIMQSIJCM-KYZUINATSA-N 1 2 234.303 1.276 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCc1cn[nH]c1 ZINC000900456132 584313686 /nfs/dbraw/zinc/31/36/86/584313686.db2.gz ZTRADVMMDWRSLU-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCc1csc(NC(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900590714 584329328 /nfs/dbraw/zinc/32/93/28/584329328.db2.gz MUDWHSPYDASUSB-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO CCc1csc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000900590714 584329329 /nfs/dbraw/zinc/32/93/29/584329329.db2.gz MUDWHSPYDASUSB-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900592671 584329537 /nfs/dbraw/zinc/32/95/37/584329537.db2.gz LBFQVXUACZCOQH-PSASIEDQSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900592671 584329538 /nfs/dbraw/zinc/32/95/38/584329538.db2.gz LBFQVXUACZCOQH-PSASIEDQSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@@H](O)[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000900617013 584332387 /nfs/dbraw/zinc/33/23/87/584332387.db2.gz NNWVBWZKZJSGDI-MWLCHTKSSA-N 1 2 222.288 1.157 20 0 BDADLO C/C(=C(/F)C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000900647915 584335488 /nfs/dbraw/zinc/33/54/88/584335488.db2.gz UNPLFOQTINUEJP-FLIBITNWSA-N 1 2 237.278 1.722 20 0 BDADLO COC/C(C)=C/Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000900644102 584338270 /nfs/dbraw/zinc/33/82/70/584338270.db2.gz SGORSNOFNHFDJL-QDEBKDIKSA-N 1 2 247.302 1.116 20 0 BDADLO CC[C@H](O)[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900673245 584339332 /nfs/dbraw/zinc/33/93/32/584339332.db2.gz RNSXHVRRJZSOPG-KOLCDFICSA-N 1 2 222.288 1.157 20 0 BDADLO CC[C@@H](O)[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900673246 584339601 /nfs/dbraw/zinc/33/96/01/584339601.db2.gz RNSXHVRRJZSOPG-MWLCHTKSSA-N 1 2 222.288 1.157 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000900698073 584340391 /nfs/dbraw/zinc/34/03/91/584340391.db2.gz JBVMKXMSJODAIF-FOGDFJRCSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000900698073 584340392 /nfs/dbraw/zinc/34/03/92/584340392.db2.gz JBVMKXMSJODAIF-FOGDFJRCSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC=CCC1 ZINC000900763463 584345295 /nfs/dbraw/zinc/34/52/95/584345295.db2.gz KBQJOYUODRBRAJ-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC=CCC1 ZINC000900763463 584345297 /nfs/dbraw/zinc/34/52/97/584345297.db2.gz KBQJOYUODRBRAJ-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(CC1CC1)CC1CC1 ZINC000900730919 584346878 /nfs/dbraw/zinc/34/68/78/584346878.db2.gz JLKPKYBZORZVGY-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO Cc1coc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000900786769 584351408 /nfs/dbraw/zinc/35/14/08/584351408.db2.gz MXYBQQAEDDTBJS-NSHDSACASA-N 1 2 247.298 1.851 20 0 BDADLO CC(C)c1nc(N(C)C[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000858818560 588977447 /nfs/dbraw/zinc/97/74/47/588977447.db2.gz PAFXOMQJZWBRSY-PHIMTYICSA-N 1 2 235.331 1.807 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCCC(F)(F)F ZINC000900890811 584361215 /nfs/dbraw/zinc/36/12/15/584361215.db2.gz AQQOGXNAIQPMPG-UHFFFAOYSA-N 1 2 247.220 1.562 20 0 BDADLO C[C@@H]1CCCN1C(=O)CNc1cccc[nH+]1 ZINC000900896936 584362352 /nfs/dbraw/zinc/36/23/52/584362352.db2.gz ZBTWHIRJMSLHIQ-SNVBAGLBSA-N 1 2 219.288 1.504 20 0 BDADLO CCOc1cccc(NC(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900924971 584366228 /nfs/dbraw/zinc/36/62/28/584366228.db2.gz UWGYUTQJMXPMCG-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCOc1cccc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000900924971 584366229 /nfs/dbraw/zinc/36/62/29/584366229.db2.gz UWGYUTQJMXPMCG-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCC1(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000900970025 584368858 /nfs/dbraw/zinc/36/88/58/584368858.db2.gz GYNYTLWZEGALFI-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CC1(C)CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900972291 584369663 /nfs/dbraw/zinc/36/96/63/584369663.db2.gz KKBILEGAAHXGFR-SNVBAGLBSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CCC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900972291 584369664 /nfs/dbraw/zinc/36/96/64/584369664.db2.gz KKBILEGAAHXGFR-SNVBAGLBSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(CNC(=O)CNc2cccc[nH+]2)CCC1 ZINC000900974328 584369896 /nfs/dbraw/zinc/36/98/96/584369896.db2.gz WOMFGBDGOXTBMI-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000901068444 584377862 /nfs/dbraw/zinc/37/78/62/584377862.db2.gz ZIHNDBIVJCAAHB-IJLUTSLNSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000901068444 584377863 /nfs/dbraw/zinc/37/78/63/584377863.db2.gz ZIHNDBIVJCAAHB-IJLUTSLNSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H](NC(=O)CNc1cccc[nH+]1)C1CCC1 ZINC000901205669 584399813 /nfs/dbraw/zinc/39/98/13/584399813.db2.gz RIEOEMJRTZXZLJ-JTQLQIEISA-N 1 2 233.315 1.798 20 0 BDADLO CCn1c[nH+]cc1C=Cc1nc(C)cc(=O)[nH]1 ZINC000901503873 584454875 /nfs/dbraw/zinc/45/48/75/584454875.db2.gz HSFVQOLCJYWLKT-SNAWJCMRSA-N 1 2 230.271 1.877 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@]1(C)CCCCO1)C1CC1 ZINC000901603474 584468151 /nfs/dbraw/zinc/46/81/51/584468151.db2.gz NYXYGIIUKCIFSD-AAEUAGOBSA-N 1 2 241.331 1.487 20 0 BDADLO Cc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)[O-])c[nH+]1 ZINC000901980574 584511758 /nfs/dbraw/zinc/51/17/58/584511758.db2.gz PDIFRWMOGNYTIE-LLVKDONJSA-N 1 2 236.315 1.728 20 0 BDADLO Cc1ccc(CCC[N@H+](C)[C@H](C)C(=O)[O-])c[nH+]1 ZINC000901980574 584511759 /nfs/dbraw/zinc/51/17/59/584511759.db2.gz PDIFRWMOGNYTIE-LLVKDONJSA-N 1 2 236.315 1.728 20 0 BDADLO CCn1c[nH+]c(CNCc2nc(C)cs2)c1 ZINC000902054335 584518186 /nfs/dbraw/zinc/51/81/86/584518186.db2.gz AHOYWZPJOHKZRX-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1cnc(C[NH2+]Cc2nc(C)cs2)c1 ZINC000902054335 584518187 /nfs/dbraw/zinc/51/81/87/584518187.db2.gz AHOYWZPJOHKZRX-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO Cc1cnc(NCc2c[nH+]cn2C)cn1 ZINC000902211199 584535198 /nfs/dbraw/zinc/53/51/98/584535198.db2.gz MVILBRLLKMCNEX-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1cc(NCc2cnn(C)c2Cl)nc[nH+]1 ZINC000902196532 584536768 /nfs/dbraw/zinc/53/67/68/584536768.db2.gz RRKUBZRIKDWIFG-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO Cc1cc(NCc2c(Cl)cnn2C)nc[nH+]1 ZINC000902196129 584536948 /nfs/dbraw/zinc/53/69/48/584536948.db2.gz RKJHVKMGVYXTLP-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO Nc1ccc(CONC(=O)C2CCCC2)c[nH+]1 ZINC000902251922 584543729 /nfs/dbraw/zinc/54/37/29/584543729.db2.gz JCOCYVMVMYEBPK-UHFFFAOYSA-N 1 2 235.287 1.402 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCOC2=O)CCC1(F)F ZINC000902276775 584550640 /nfs/dbraw/zinc/55/06/40/584550640.db2.gz ZGRGVMQAWQRUQB-MRVPVSSYSA-N 1 2 234.246 1.373 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCOC2=O)CCC1(F)F ZINC000902276775 584550643 /nfs/dbraw/zinc/55/06/43/584550643.db2.gz ZGRGVMQAWQRUQB-MRVPVSSYSA-N 1 2 234.246 1.373 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC[C@@H]1CCNC1=O ZINC000902356423 584569946 /nfs/dbraw/zinc/56/99/46/584569946.db2.gz ZLRUBXKZLNDURX-NSHDSACASA-N 1 2 248.326 1.857 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@]12CCOC2)[C@@H]1CCCO1 ZINC000902384052 584577372 /nfs/dbraw/zinc/57/73/72/584577372.db2.gz YFRJKSFSXVZRSI-NHCYSSNCSA-N 1 2 240.303 1.090 20 0 BDADLO COC[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)C(C)C ZINC000902384024 584577510 /nfs/dbraw/zinc/57/75/10/584577510.db2.gz XUGMOXNIMSSIPM-QWRGUYRKSA-N 1 2 244.335 1.582 20 0 BDADLO Cn1c[nH+]cc1CCCn1cccc(F)c1=O ZINC000902439012 584597277 /nfs/dbraw/zinc/59/72/77/584597277.db2.gz UYJILMOOPZBVPI-UHFFFAOYSA-N 1 2 235.262 1.354 20 0 BDADLO CNc1ccccc1C[NH2+]Cc1cn(C)nn1 ZINC000902479441 584604205 /nfs/dbraw/zinc/60/42/05/584604205.db2.gz XUIXXLNGDOMETJ-UHFFFAOYSA-N 1 2 231.303 1.147 20 0 BDADLO C[C@@H]1C[C@H](NCc2csc(N)n2)c2[nH+]ccn21 ZINC000902499212 584619721 /nfs/dbraw/zinc/61/97/21/584619721.db2.gz IGPCTDHROLVRFO-APPZFPTMSA-N 1 2 249.343 1.717 20 0 BDADLO CCn1c[nH+]c(CNC2(C(F)F)CC2)c1 ZINC000902536380 584628353 /nfs/dbraw/zinc/62/83/53/584628353.db2.gz ISGBYASSAOYUIB-UHFFFAOYSA-N 1 2 215.247 1.790 20 0 BDADLO CCn1c[nH+]c(CNCC(F)(F)C(F)F)c1 ZINC000902574438 584637159 /nfs/dbraw/zinc/63/71/59/584637159.db2.gz DNGGPFCVXWGEAV-UHFFFAOYSA-N 1 2 239.216 1.893 20 0 BDADLO CCn1c[nH+]c(CNc2cccc3n[nH]nc32)c1 ZINC000902577600 584637852 /nfs/dbraw/zinc/63/78/52/584637852.db2.gz FBLKDXUTFAWEBS-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO CCn1c[nH+]c(CN[C@@H](C)c2csnn2)c1 ZINC000902610034 584642934 /nfs/dbraw/zinc/64/29/34/584642934.db2.gz UVTJSEJFERSUHH-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO COc1cc(NCc2[nH+]ccn2C2CC2)[nH]n1 ZINC000902624428 584645384 /nfs/dbraw/zinc/64/53/84/584645384.db2.gz JVLKCBWBRHDDDQ-UHFFFAOYSA-N 1 2 233.275 1.562 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC1CC(C)C1 ZINC000902717186 584657981 /nfs/dbraw/zinc/65/79/81/584657981.db2.gz MAOGXPJBDSYJOM-MGURRDGZSA-N 1 2 200.282 1.566 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1cn(C)nn1 ZINC000902884968 584689115 /nfs/dbraw/zinc/68/91/15/584689115.db2.gz QTSDNTNVSWQIEC-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(Cl)n(C)n2)CCCO1 ZINC000859116951 589004179 /nfs/dbraw/zinc/00/41/79/589004179.db2.gz OKKIIZGBTIEYQA-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)CCCO1 ZINC000859116951 589004181 /nfs/dbraw/zinc/00/41/81/589004181.db2.gz OKKIIZGBTIEYQA-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)on1 ZINC000902993071 584711114 /nfs/dbraw/zinc/71/11/14/584711114.db2.gz QKCQNTARTXCBKW-MRVPVSSYSA-N 1 2 214.240 1.617 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)on1 ZINC000902993071 584711116 /nfs/dbraw/zinc/71/11/16/584711116.db2.gz QKCQNTARTXCBKW-MRVPVSSYSA-N 1 2 214.240 1.617 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](F)C1)N1CCCC1 ZINC000902994544 584712319 /nfs/dbraw/zinc/71/23/19/584712319.db2.gz DWXILDNNKZNYPO-SNVBAGLBSA-N 1 2 214.284 1.043 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)N1CCCC1 ZINC000902994544 584712320 /nfs/dbraw/zinc/71/23/20/584712320.db2.gz DWXILDNNKZNYPO-SNVBAGLBSA-N 1 2 214.284 1.043 20 0 BDADLO C[C@@H](C[N@@H+]1CCC[C@@H](F)C1)CS(C)(=O)=O ZINC000902998025 584714307 /nfs/dbraw/zinc/71/43/07/584714307.db2.gz DXYSPZJBDSGKDK-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@@H](C[N@H+]1CCC[C@@H](F)C1)CS(C)(=O)=O ZINC000902998025 584714308 /nfs/dbraw/zinc/71/43/08/584714308.db2.gz DXYSPZJBDSGKDK-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000360 584715659 /nfs/dbraw/zinc/71/56/59/584715659.db2.gz FPUJEZBFKYCOSC-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO F[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000902999662 584715528 /nfs/dbraw/zinc/71/55/28/584715528.db2.gz BSOXPQXTLJOQPG-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO F[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000902999662 584715529 /nfs/dbraw/zinc/71/55/29/584715529.db2.gz BSOXPQXTLJOQPG-MRVPVSSYSA-N 1 2 229.217 1.999 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903001111 584715579 /nfs/dbraw/zinc/71/55/79/584715579.db2.gz KGKFQSKEGANDHH-DCAQKATOSA-N 1 2 230.327 1.724 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903001111 584715581 /nfs/dbraw/zinc/71/55/81/584715581.db2.gz KGKFQSKEGANDHH-DCAQKATOSA-N 1 2 230.327 1.724 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000360 584715658 /nfs/dbraw/zinc/71/56/58/584715658.db2.gz FPUJEZBFKYCOSC-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000903004015 584716939 /nfs/dbraw/zinc/71/69/39/584716939.db2.gz XJBHRTMFZSNJFD-VXGBXAGGSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](F)C2)C1 ZINC000903004015 584716940 /nfs/dbraw/zinc/71/69/40/584716940.db2.gz XJBHRTMFZSNJFD-VXGBXAGGSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003777 584717154 /nfs/dbraw/zinc/71/71/54/584717154.db2.gz RACAEDLDPMHMIQ-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003777 584717155 /nfs/dbraw/zinc/71/71/55/584717155.db2.gz RACAEDLDPMHMIQ-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903266067 584741233 /nfs/dbraw/zinc/74/12/33/584741233.db2.gz RVVZWEVWIOKFEV-WQHBLYJGSA-N 1 2 235.331 1.936 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000746498995 584776035 /nfs/dbraw/zinc/77/60/35/584776035.db2.gz BNLJYDVTRFSLRS-BCMYLCSRSA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCn2cccc2[C@@H]1C ZINC000746498995 584776036 /nfs/dbraw/zinc/77/60/36/584776036.db2.gz BNLJYDVTRFSLRS-BCMYLCSRSA-N 1 2 248.326 1.984 20 0 BDADLO FC(F)C(F)(F)COCCN1CC=CC[NH2+]1 ZINC000903489720 584780669 /nfs/dbraw/zinc/78/06/69/584780669.db2.gz YXKFHJCFXMMHBJ-UHFFFAOYSA-N 1 2 242.216 1.280 20 0 BDADLO Cc1noc(NC(=O)/C=C\c2cn(C)c[nH+]2)c1C ZINC000903633438 584788289 /nfs/dbraw/zinc/78/82/89/584788289.db2.gz RPKVWKZPELMOAL-PLNGDYQASA-N 1 2 246.270 1.677 20 0 BDADLO CC[C@](C)(O)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000903990728 584836359 /nfs/dbraw/zinc/83/63/59/584836359.db2.gz YRYXDRQMWWKJJB-ZDUSSCGKSA-N 1 2 247.298 1.981 20 0 BDADLO CC[C@@](C)(O)c1nc(Cc2c[nH+]cn2C)no1 ZINC000904033772 584838306 /nfs/dbraw/zinc/83/83/06/584838306.db2.gz OQLXVLFEYHPGHJ-LLVKDONJSA-N 1 2 236.275 1.011 20 0 BDADLO CO[C@H](C)Cc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272461 584858569 /nfs/dbraw/zinc/85/85/69/584858569.db2.gz SJMWYNFCZTVBGL-MRVPVSSYSA-N 1 2 248.286 1.600 20 0 BDADLO CO[C@@H](C)Cc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272462 584858613 /nfs/dbraw/zinc/85/86/13/584858613.db2.gz SJMWYNFCZTVBGL-QMMMGPOBSA-N 1 2 248.286 1.600 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H](C2CC2)O1 ZINC000904343921 584867900 /nfs/dbraw/zinc/86/79/00/584867900.db2.gz ZCRGNDDSVMZXET-JOYOIKCWSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@H](C2CC2)O1 ZINC000904343921 584867901 /nfs/dbraw/zinc/86/79/01/584867901.db2.gz ZCRGNDDSVMZXET-JOYOIKCWSA-N 1 2 248.330 1.058 20 0 BDADLO Cc1cc(F)c(C[NH2+][C@@H]2CNOC2)c(Cl)c1 ZINC000904423781 584880036 /nfs/dbraw/zinc/88/00/36/584880036.db2.gz GXXRNZSWNWFUAL-MRVPVSSYSA-N 1 2 244.697 1.781 20 0 BDADLO CC(C)(C)c1nc(C[NH2+][C@H]2CNOC2)cs1 ZINC000904427340 584881614 /nfs/dbraw/zinc/88/16/14/584881614.db2.gz XFGQHYHQAITFRJ-QMMMGPOBSA-N 1 2 241.360 1.434 20 0 BDADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1nccn1C ZINC000186517767 584912152 /nfs/dbraw/zinc/91/21/52/584912152.db2.gz GERGOCBMHVDYNF-GHMZBOCLSA-N 1 2 249.314 1.787 20 0 BDADLO CCN(Cc1c[nH+]cn1C)c1cnn(C)c1 ZINC000653861515 584912166 /nfs/dbraw/zinc/91/21/66/584912166.db2.gz ANJDGTMPVBERJF-UHFFFAOYSA-N 1 2 219.292 1.180 20 0 BDADLO COC(=O)c1ccc(/C=C\c2[nH]cc[nH+]2)nc1 ZINC000731156472 584922868 /nfs/dbraw/zinc/92/28/68/584922868.db2.gz GCZURNWKMHOWFJ-PLNGDYQASA-N 1 2 229.239 1.762 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OCC(=O)C1CC1 ZINC000731710522 584928499 /nfs/dbraw/zinc/92/84/99/584928499.db2.gz XZXVMPDASAWMJY-UHFFFAOYSA-N 1 2 248.282 1.568 20 0 BDADLO CN(C/C=C/Cl)CC[NH+]1CCOCC1 ZINC000732870835 584941579 /nfs/dbraw/zinc/94/15/79/584941579.db2.gz KAPFVOGQCBKIAM-NSCUHMNNSA-N 1 2 218.728 1.003 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CN2CCCC2=O)on1 ZINC000733293593 584946131 /nfs/dbraw/zinc/94/61/31/584946131.db2.gz QDWLUZHJFKWAFM-NSHDSACASA-N 1 2 249.314 1.700 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CN2CCCC2=O)on1 ZINC000733293593 584946132 /nfs/dbraw/zinc/94/61/32/584946132.db2.gz QDWLUZHJFKWAFM-NSHDSACASA-N 1 2 249.314 1.700 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@@H](C)CC2=O)C[C@H](C)O1 ZINC000733297170 584946438 /nfs/dbraw/zinc/94/64/38/584946438.db2.gz WRJQPWXEQYVZAM-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@@H](C)CC2=O)C[C@H](C)O1 ZINC000733297170 584946439 /nfs/dbraw/zinc/94/64/39/584946439.db2.gz WRJQPWXEQYVZAM-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO O=C(/C=C\c1ccco1)N1CC(n2cc[nH+]c2)C1 ZINC000733884184 584954109 /nfs/dbraw/zinc/95/41/09/584954109.db2.gz DGTPARIDLFUXHC-ARJAWSKDSA-N 1 2 243.266 1.573 20 0 BDADLO CC[N@@H+](Cc1nonc1C)C[C@H]1CCCO1 ZINC000734152131 584957559 /nfs/dbraw/zinc/95/75/59/584957559.db2.gz PGOGHTIATMGOSF-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1nonc1C)C[C@H]1CCCO1 ZINC000734152131 584957560 /nfs/dbraw/zinc/95/75/60/584957560.db2.gz PGOGHTIATMGOSF-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1=COCC1 ZINC000734126072 584958454 /nfs/dbraw/zinc/95/84/54/584958454.db2.gz WFQPEYCCPWXUGW-UHFFFAOYSA-N 1 2 220.228 1.333 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000734440271 584962189 /nfs/dbraw/zinc/96/21/89/584962189.db2.gz XJQSKCZJKNZLBN-UHFFFAOYSA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)OC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000734440271 584962190 /nfs/dbraw/zinc/96/21/90/584962190.db2.gz XJQSKCZJKNZLBN-UHFFFAOYSA-N 1 2 224.308 1.194 20 0 BDADLO CCc1cc(N2C[C@@H](O)C[C@@H]2C)nc(C)[nH+]1 ZINC000350703834 584985502 /nfs/dbraw/zinc/98/55/02/584985502.db2.gz VRTODNYDYYQQMV-KWQFWETISA-N 1 2 221.304 1.307 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000771994687 585011935 /nfs/dbraw/zinc/01/19/35/585011935.db2.gz POWUHRCOCHSRQB-QWRGUYRKSA-N 1 2 238.287 1.384 20 0 BDADLO CC[C@@H](C)CCC(=O)NCc1cn(C)c[nH+]1 ZINC000890106474 585023627 /nfs/dbraw/zinc/02/36/27/585023627.db2.gz ADJIPFWQHBFXJV-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110094 585023892 /nfs/dbraw/zinc/02/38/92/585023892.db2.gz WWCNPKLAPZZEQD-UWVGGRQHSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)c1ccco1 ZINC000890114230 585024110 /nfs/dbraw/zinc/02/41/10/585024110.db2.gz YYVUMIVEOSHBKG-SECBINFHSA-N 1 2 233.271 1.433 20 0 BDADLO CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCC(=O)[O-])C1 ZINC000737641831 585037812 /nfs/dbraw/zinc/03/78/12/585037812.db2.gz XGCPIPBNGWNUNP-GFCCVEGCSA-N 1 2 242.363 1.704 20 0 BDADLO CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000737641831 585037813 /nfs/dbraw/zinc/03/78/13/585037813.db2.gz XGCPIPBNGWNUNP-GFCCVEGCSA-N 1 2 242.363 1.704 20 0 BDADLO C/C=C\C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000737834572 585038752 /nfs/dbraw/zinc/03/87/52/585038752.db2.gz BASPBELNSJZABW-WUWIAWFRSA-N 1 2 219.288 1.692 20 0 BDADLO C[N@H+](Cn1nc2ccccn2c1=O)CC(C)(C)C ZINC000738098268 585041019 /nfs/dbraw/zinc/04/10/19/585041019.db2.gz HNAFTVCIZCIWLD-UHFFFAOYSA-N 1 2 248.330 1.431 20 0 BDADLO C[N@@H+](Cn1nc2ccccn2c1=O)CC(C)(C)C ZINC000738098268 585041020 /nfs/dbraw/zinc/04/10/20/585041020.db2.gz HNAFTVCIZCIWLD-UHFFFAOYSA-N 1 2 248.330 1.431 20 0 BDADLO CC/C(C)=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000838044152 585043689 /nfs/dbraw/zinc/04/36/89/585043689.db2.gz NAUAKHMHQMFVHW-UCQJPZFISA-N 1 2 241.331 1.607 20 0 BDADLO CC/C(C)=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000838044152 585043690 /nfs/dbraw/zinc/04/36/90/585043690.db2.gz NAUAKHMHQMFVHW-UCQJPZFISA-N 1 2 241.331 1.607 20 0 BDADLO CCC(C)(C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838636760 585064263 /nfs/dbraw/zinc/06/42/63/585064263.db2.gz DWKUPYRFFRFKSR-SECBINFHSA-N 1 2 236.319 1.816 20 0 BDADLO CCOCC[N@H+](CC)Cc1cnn(CC)n1 ZINC000838805702 585069487 /nfs/dbraw/zinc/06/94/87/585069487.db2.gz GCRCDKOVAKPDQX-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cnn(CC)n1 ZINC000838805702 585069488 /nfs/dbraw/zinc/06/94/88/585069488.db2.gz GCRCDKOVAKPDQX-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CO[C@H](C[NH2+]Cc1cc(C)on1)C(F)(F)F ZINC000838940911 585081955 /nfs/dbraw/zinc/08/19/55/585081955.db2.gz GTGDBVUMRXGYKZ-MRVPVSSYSA-N 1 2 238.209 1.650 20 0 BDADLO CCn1ncc(C[NH2+]Cc2occc2C)n1 ZINC000839112366 585091559 /nfs/dbraw/zinc/09/15/59/585091559.db2.gz PUPRNSAZEQGUHA-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCOC(=O)CC(C)(C)C[NH+]1CC(OCC)C1 ZINC000839131135 585093574 /nfs/dbraw/zinc/09/35/74/585093574.db2.gz NPCIYKMYGHWKMC-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CCO[C@H]1CC ZINC000839197687 585098932 /nfs/dbraw/zinc/09/89/32/585098932.db2.gz BUMWOCMNJXVMAF-MNOVXSKESA-N 1 2 229.320 1.487 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201829 585099678 /nfs/dbraw/zinc/09/96/78/585099678.db2.gz RPDWDYUEUXGULS-UWVGGRQHSA-N 1 2 229.345 1.375 20 0 BDADLO CC(C)COC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201829 585099679 /nfs/dbraw/zinc/09/96/79/585099679.db2.gz RPDWDYUEUXGULS-UWVGGRQHSA-N 1 2 229.345 1.375 20 0 BDADLO NC(Cc1cccs1)=[NH+]OCc1ccon1 ZINC000740872589 585107462 /nfs/dbraw/zinc/10/74/62/585107462.db2.gz VMQXIXLQSHAFOX-UHFFFAOYSA-N 1 2 237.284 1.977 20 0 BDADLO Cc1nn(C)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000741193872 585111056 /nfs/dbraw/zinc/11/10/56/585111056.db2.gz XPAPFHCQQDSVTQ-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO CCn1cnn(C[N@H+](C)C2CCC2)c1=S ZINC000742172806 585122710 /nfs/dbraw/zinc/12/27/10/585122710.db2.gz GQPLPBQXAKZZDF-UHFFFAOYSA-N 1 2 226.349 1.876 20 0 BDADLO CCn1cnn(C[N@@H+](C)C2CCC2)c1=S ZINC000742172806 585122711 /nfs/dbraw/zinc/12/27/11/585122711.db2.gz GQPLPBQXAKZZDF-UHFFFAOYSA-N 1 2 226.349 1.876 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCc2[nH+]ccn2C)o1 ZINC000742633667 585129108 /nfs/dbraw/zinc/12/91/08/585129108.db2.gz KFUMHJYUVPIWND-JTQLQIEISA-N 1 2 247.298 1.741 20 0 BDADLO CC/C=C(\C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000808098321 585133760 /nfs/dbraw/zinc/13/37/60/585133760.db2.gz KCSKXTVPHHHSNE-VMPITWQZSA-N 1 2 234.303 1.340 20 0 BDADLO COCCOC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000743480858 585137637 /nfs/dbraw/zinc/13/76/37/585137637.db2.gz QNVCDOWSVCQSRV-DTWKUNHWSA-N 1 2 243.307 1.080 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccno1 ZINC000745087637 585156562 /nfs/dbraw/zinc/15/65/62/585156562.db2.gz KOSXTWSRPPVFMH-LLVKDONJSA-N 1 2 238.287 1.592 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccno1 ZINC000745087637 585156563 /nfs/dbraw/zinc/15/65/63/585156563.db2.gz KOSXTWSRPPVFMH-LLVKDONJSA-N 1 2 238.287 1.592 20 0 BDADLO COC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000745867959 585161161 /nfs/dbraw/zinc/16/11/61/585161161.db2.gz RTFHIIPRMOOZJT-UHFFFAOYSA-N 1 2 249.245 1.867 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000745989213 585162468 /nfs/dbraw/zinc/16/24/68/585162468.db2.gz SGFQAFSNEJNJGO-DTWKUNHWSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000745989213 585162469 /nfs/dbraw/zinc/16/24/69/585162469.db2.gz SGFQAFSNEJNJGO-DTWKUNHWSA-N 1 2 239.237 1.617 20 0 BDADLO CCCn1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000746317857 585167283 /nfs/dbraw/zinc/16/72/83/585167283.db2.gz PVECFYYRCSBRFT-UHFFFAOYSA-N 1 2 233.275 1.128 20 0 BDADLO FCC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000746503983 585169336 /nfs/dbraw/zinc/16/93/36/585169336.db2.gz SLLQMNBIPZYNNE-UHFFFAOYSA-N 1 2 243.713 1.827 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000746502204 585169477 /nfs/dbraw/zinc/16/94/77/585169477.db2.gz GSEGRZIPTUDJJS-UHFFFAOYSA-N 1 2 240.278 1.277 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000746502204 585169478 /nfs/dbraw/zinc/16/94/78/585169478.db2.gz GSEGRZIPTUDJJS-UHFFFAOYSA-N 1 2 240.278 1.277 20 0 BDADLO C[N@@H+](Cc1ccccc1)Cn1ccsc1=O ZINC000746600181 585170890 /nfs/dbraw/zinc/17/08/90/585170890.db2.gz KRKGKUTUMHPFOD-UHFFFAOYSA-N 1 2 234.324 1.999 20 0 BDADLO C[N@H+](Cc1ccccc1)Cn1ccsc1=O ZINC000746600181 585170891 /nfs/dbraw/zinc/17/08/91/585170891.db2.gz KRKGKUTUMHPFOD-UHFFFAOYSA-N 1 2 234.324 1.999 20 0 BDADLO CC[C@@H]1C[N@H+](Cn2ccsc2=O)CCS1 ZINC000746617059 585171222 /nfs/dbraw/zinc/17/12/22/585171222.db2.gz XPUJLCDCTXZSPZ-SECBINFHSA-N 1 2 244.385 1.695 20 0 BDADLO CC[C@@H]1C[N@@H+](Cn2ccsc2=O)CCS1 ZINC000746617059 585171223 /nfs/dbraw/zinc/17/12/23/585171223.db2.gz XPUJLCDCTXZSPZ-SECBINFHSA-N 1 2 244.385 1.695 20 0 BDADLO COC(C)(C)C[N@H+](C)Cn1ccsc1=O ZINC000746617169 585171311 /nfs/dbraw/zinc/17/13/11/585171311.db2.gz ZNOKRVZLPGNRDC-UHFFFAOYSA-N 1 2 230.333 1.224 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cn1ccsc1=O ZINC000746617169 585171312 /nfs/dbraw/zinc/17/13/12/585171312.db2.gz ZNOKRVZLPGNRDC-UHFFFAOYSA-N 1 2 230.333 1.224 20 0 BDADLO C[C@@H](CNC(=O)C(F)(F)F)Cn1cc[nH+]c1 ZINC000747401478 585178615 /nfs/dbraw/zinc/17/86/15/585178615.db2.gz XYEZDNDQUSESOL-ZETCQYMHSA-N 1 2 235.209 1.198 20 0 BDADLO Cc1cc(NC(=O)C(=O)C(C)(C)C)c(C)c[nH+]1 ZINC000747524533 585180250 /nfs/dbraw/zinc/18/02/50/585180250.db2.gz FEUQTRBLNLZPEJ-UHFFFAOYSA-N 1 2 234.299 1.674 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC=CCC1 ZINC000747782152 585184134 /nfs/dbraw/zinc/18/41/34/585184134.db2.gz DVJKJBYPGBLZGK-JTQLQIEISA-N 1 2 220.272 1.820 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC(C)C)C1 ZINC000748460602 585193341 /nfs/dbraw/zinc/19/33/41/585193341.db2.gz UGSRYEPUNRNJQP-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCC(C)C)C1 ZINC000748460602 585193342 /nfs/dbraw/zinc/19/33/42/585193342.db2.gz UGSRYEPUNRNJQP-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccnc(F)c1 ZINC000748731930 585195050 /nfs/dbraw/zinc/19/50/50/585195050.db2.gz DUZOJIZSMGFWAY-UHFFFAOYSA-N 1 2 247.229 1.877 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1ncnn1C ZINC000750038874 585209527 /nfs/dbraw/zinc/20/95/27/585209527.db2.gz LNEOTKLCZZWSQT-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1ncnn1C ZINC000750038874 585209528 /nfs/dbraw/zinc/20/95/28/585209528.db2.gz LNEOTKLCZZWSQT-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO CC(=O)CC[N@@H+](C)Cc1nnc2ccccn21 ZINC000750820892 585220564 /nfs/dbraw/zinc/22/05/64/585220564.db2.gz GXONYXXRNCPJJC-UHFFFAOYSA-N 1 2 232.287 1.140 20 0 BDADLO CC(=O)CC[N@H+](C)Cc1nnc2ccccn21 ZINC000750820892 585220565 /nfs/dbraw/zinc/22/05/65/585220565.db2.gz GXONYXXRNCPJJC-UHFFFAOYSA-N 1 2 232.287 1.140 20 0 BDADLO CS/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000751583897 585233823 /nfs/dbraw/zinc/23/38/23/585233823.db2.gz WOJIOLCRNKBRHY-GORDUTHDSA-N 1 2 223.301 1.143 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000752996647 585252333 /nfs/dbraw/zinc/25/23/33/585252333.db2.gz OEQQYFQIYUFNGM-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO Cc1nonc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000753023589 585252636 /nfs/dbraw/zinc/25/26/36/585252636.db2.gz XGJWIDKXDJFQPO-UHFFFAOYSA-N 1 2 247.258 1.091 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC(F)C1 ZINC000753072928 585253106 /nfs/dbraw/zinc/25/31/06/585253106.db2.gz ZHLKGHTVPZCIQP-UHFFFAOYSA-N 1 2 219.219 1.128 20 0 BDADLO Cc1ccc(C(=O)OCc2c[nH+]cn2C)nc1 ZINC000753558039 585261736 /nfs/dbraw/zinc/26/17/36/585261736.db2.gz MUUMMJWDWHPERL-UHFFFAOYSA-N 1 2 231.255 1.481 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000753607356 585263627 /nfs/dbraw/zinc/26/36/27/585263627.db2.gz DDQCDGUNSFKCKG-SPQRFVMMSA-N 1 2 233.315 1.815 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000753723778 585266930 /nfs/dbraw/zinc/26/69/30/585266930.db2.gz PWDLDXXZQUWHOH-FTGAXOIBSA-N 1 2 231.361 1.197 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000753723778 585266931 /nfs/dbraw/zinc/26/69/31/585266931.db2.gz PWDLDXXZQUWHOH-FTGAXOIBSA-N 1 2 231.361 1.197 20 0 BDADLO C[C@@H]1COCC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000753991613 585274403 /nfs/dbraw/zinc/27/44/03/585274403.db2.gz BRUFEELHCQUFBG-VIFPVBQESA-N 1 2 227.333 1.098 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000753991613 585274404 /nfs/dbraw/zinc/27/44/04/585274404.db2.gz BRUFEELHCQUFBG-VIFPVBQESA-N 1 2 227.333 1.098 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC000754043544 585276180 /nfs/dbraw/zinc/27/61/80/585276180.db2.gz MWBGHASGLZNRBP-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000754043544 585276181 /nfs/dbraw/zinc/27/61/81/585276181.db2.gz MWBGHASGLZNRBP-ZDUSSCGKSA-N 1 2 249.358 1.758 20 0 BDADLO CNC(=O)COc1ccc([NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000754124986 585279057 /nfs/dbraw/zinc/27/90/57/585279057.db2.gz DEOXQXJCFXXFGJ-MNOVXSKESA-N 1 2 248.326 1.879 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1CC(F)(F)C1 ZINC000754682813 585289254 /nfs/dbraw/zinc/28/92/54/585289254.db2.gz CKMSHPHGTRHXJN-UHFFFAOYSA-N 1 2 230.214 1.509 20 0 BDADLO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1nc(C)no1 ZINC000754687423 585289431 /nfs/dbraw/zinc/28/94/31/585289431.db2.gz ARSZQBRFKDRHFT-IVGLGHLBSA-N 1 2 239.275 1.148 20 0 BDADLO Cc1nonc1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000754872273 585291931 /nfs/dbraw/zinc/29/19/31/585291931.db2.gz KDLXZLKJKAJLFV-UHFFFAOYSA-N 1 2 235.291 1.136 20 0 BDADLO CCNC(=S)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755400194 585299051 /nfs/dbraw/zinc/29/90/51/585299051.db2.gz YPAQKUMONBEFEM-VIFPVBQESA-N 1 2 238.360 1.104 20 0 BDADLO COC[C@@](C)(O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000755772272 585306564 /nfs/dbraw/zinc/30/65/64/585306564.db2.gz WUHDIPUTKINGRB-GFCCVEGCSA-N 1 2 238.287 1.034 20 0 BDADLO CO[C@@H](C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755886148 585309302 /nfs/dbraw/zinc/30/93/02/585309302.db2.gz RYPCQRMQLSOBAW-VIFPVBQESA-N 1 2 238.287 1.226 20 0 BDADLO C/C=C/C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756138560 585315151 /nfs/dbraw/zinc/31/51/51/585315151.db2.gz BCISGKVDVKVQFA-HMDXOVGESA-N 1 2 219.288 1.312 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@]1(C)CCCO1 ZINC000756296095 585317060 /nfs/dbraw/zinc/31/70/60/585317060.db2.gz SIWQWKIVQSWXEI-LLVKDONJSA-N 1 2 224.260 1.032 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000756527240 585320779 /nfs/dbraw/zinc/32/07/79/585320779.db2.gz VWOJXVKOIVHHNY-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000756527240 585320780 /nfs/dbraw/zinc/32/07/80/585320780.db2.gz VWOJXVKOIVHHNY-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Fc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)ccn1 ZINC000859217879 589020964 /nfs/dbraw/zinc/02/09/64/589020964.db2.gz OQMONQBWIJQDRC-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ccn1 ZINC000859217879 589020965 /nfs/dbraw/zinc/02/09/65/589020965.db2.gz OQMONQBWIJQDRC-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000757314878 585331575 /nfs/dbraw/zinc/33/15/75/585331575.db2.gz INJCIMKMSCCSPO-MNOVXSKESA-N 1 2 238.287 1.421 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000757315297 585331707 /nfs/dbraw/zinc/33/17/07/585331707.db2.gz INJCIMKMSCCSPO-WDEREUQCSA-N 1 2 238.287 1.421 20 0 BDADLO CCC(CC)[N@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000758305487 585353640 /nfs/dbraw/zinc/35/36/40/585353640.db2.gz HZIWYZOIUUKHEL-UHFFFAOYSA-N 1 2 238.335 1.192 20 0 BDADLO CCC(CC)[N@@H+](Cn1ncn(C)c1=O)C1CC1 ZINC000758305487 585353641 /nfs/dbraw/zinc/35/36/41/585353641.db2.gz HZIWYZOIUUKHEL-UHFFFAOYSA-N 1 2 238.335 1.192 20 0 BDADLO CC1(CC(=O)OCCn2cc[nH+]c2)CC1 ZINC000758828886 585360488 /nfs/dbraw/zinc/36/04/88/585360488.db2.gz QLDGZASJSXGQIO-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO C[N@H+](CCF)CC(=O)NCc1ccccc1 ZINC000759341530 585369098 /nfs/dbraw/zinc/36/90/98/585369098.db2.gz ARLMKZNEUANDFN-UHFFFAOYSA-N 1 2 224.279 1.204 20 0 BDADLO C[N@@H+](CCF)CC(=O)NCc1ccccc1 ZINC000759341530 585369099 /nfs/dbraw/zinc/36/90/99/585369099.db2.gz ARLMKZNEUANDFN-UHFFFAOYSA-N 1 2 224.279 1.204 20 0 BDADLO CC(C)N1C(=O)C[N@H+](CCF)CC1(C)C ZINC000759346959 585369973 /nfs/dbraw/zinc/36/99/73/585369973.db2.gz LJELUFIZNDOARZ-UHFFFAOYSA-N 1 2 216.300 1.287 20 0 BDADLO CC(C)N1C(=O)C[N@@H+](CCF)CC1(C)C ZINC000759346959 585369974 /nfs/dbraw/zinc/36/99/74/585369974.db2.gz LJELUFIZNDOARZ-UHFFFAOYSA-N 1 2 216.300 1.287 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000809743848 585384580 /nfs/dbraw/zinc/38/45/80/585384580.db2.gz JCRXTBNYSKLOET-UHFFFAOYSA-N 1 2 243.270 1.544 20 0 BDADLO C[C@H](CCO)CNC(=O)c1cccc2[nH+]ccn21 ZINC000760177079 585386263 /nfs/dbraw/zinc/38/62/63/585386263.db2.gz BDGWFPSNOMAZCF-SNVBAGLBSA-N 1 2 247.298 1.083 20 0 BDADLO Cc1nonc1C[N@@H+](C)[C@H]1CCSC1 ZINC000760886492 585401055 /nfs/dbraw/zinc/40/10/55/585401055.db2.gz AGQBPIBFCPCAJP-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nonc1C[N@H+](C)[C@H]1CCSC1 ZINC000760886492 585401056 /nfs/dbraw/zinc/40/10/56/585401056.db2.gz AGQBPIBFCPCAJP-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO FC(F)(F)Cc1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761085700 585407310 /nfs/dbraw/zinc/40/73/10/585407310.db2.gz CUVZEMJFDVZFKH-NKWVEPMBSA-N 1 2 247.220 1.769 20 0 BDADLO FC(F)(F)Cc1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761085700 585407311 /nfs/dbraw/zinc/40/73/11/585407311.db2.gz CUVZEMJFDVZFKH-NKWVEPMBSA-N 1 2 247.220 1.769 20 0 BDADLO c1nn(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761091834 585408364 /nfs/dbraw/zinc/40/83/64/585408364.db2.gz JURWLOIPMNRJIS-RISCZKNCSA-N 1 2 240.310 1.862 20 0 BDADLO c1nn(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761091834 585408365 /nfs/dbraw/zinc/40/83/65/585408365.db2.gz JURWLOIPMNRJIS-RISCZKNCSA-N 1 2 240.310 1.862 20 0 BDADLO CCc1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000761475947 585416215 /nfs/dbraw/zinc/41/62/15/585416215.db2.gz RWSQLJGIECYRSS-UHFFFAOYSA-N 1 2 241.254 1.880 20 0 BDADLO CCn1cnnc1SCCn1cc[nH+]c1 ZINC000762194977 585428768 /nfs/dbraw/zinc/42/87/68/585428768.db2.gz FKJIZLLYPUALAR-UHFFFAOYSA-N 1 2 223.305 1.287 20 0 BDADLO CS/C=C/C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762560294 585434149 /nfs/dbraw/zinc/43/41/49/585434149.db2.gz BPRILVGLGLJUOR-XVNBXDOJSA-N 1 2 247.323 1.827 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C(F)=C1CCCC1 ZINC000763052578 585442571 /nfs/dbraw/zinc/44/25/71/585442571.db2.gz PNXHXESKLTUDMM-UHFFFAOYSA-N 1 2 223.251 1.824 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C(F)=C1CCCC1 ZINC000763052578 585442572 /nfs/dbraw/zinc/44/25/72/585442572.db2.gz PNXHXESKLTUDMM-UHFFFAOYSA-N 1 2 223.251 1.824 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)[C@H]2C)C1 ZINC000763208934 585444514 /nfs/dbraw/zinc/44/45/14/585444514.db2.gz CCLPCBDWFXKFDW-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)[C@H]2C)C1 ZINC000763208934 585444515 /nfs/dbraw/zinc/44/45/15/585444515.db2.gz CCLPCBDWFXKFDW-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)[C@@H]2C)C1 ZINC000763208933 585444521 /nfs/dbraw/zinc/44/45/21/585444521.db2.gz CCLPCBDWFXKFDW-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)[C@@H]2C)C1 ZINC000763208933 585444522 /nfs/dbraw/zinc/44/45/22/585444522.db2.gz CCLPCBDWFXKFDW-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO COC1CC([NH2+][C@@H](C)C(=O)OC2CCCC2)C1 ZINC000763290625 585446231 /nfs/dbraw/zinc/44/62/31/585446231.db2.gz ZXIQXONMNCBHAG-BMQDGWLCSA-N 1 2 241.331 1.628 20 0 BDADLO C[N@@H+]1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000763917947 585456996 /nfs/dbraw/zinc/45/69/96/585456996.db2.gz DCMKTUIPCRBEFU-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@H+]1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000763917947 585456997 /nfs/dbraw/zinc/45/69/97/585456997.db2.gz DCMKTUIPCRBEFU-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763917947 585456998 /nfs/dbraw/zinc/45/69/98/585456998.db2.gz DCMKTUIPCRBEFU-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763917947 585456999 /nfs/dbraw/zinc/45/69/99/585456999.db2.gz DCMKTUIPCRBEFU-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO CCc1cccnc1C(=O)OCc1c[nH+]cn1C ZINC000766651742 585504427 /nfs/dbraw/zinc/50/44/27/585504427.db2.gz ZGWKVKLTFMZASJ-UHFFFAOYSA-N 1 2 245.282 1.735 20 0 BDADLO O=C(CC[N@@H+]1CCc2c[nH]nc2C1)C1CC1 ZINC000767455085 585520464 /nfs/dbraw/zinc/52/04/64/585520464.db2.gz JLAHJZWFMBARER-UHFFFAOYSA-N 1 2 219.288 1.137 20 0 BDADLO O=C(CC[N@H+]1CCc2c[nH]nc2C1)C1CC1 ZINC000767455085 585520465 /nfs/dbraw/zinc/52/04/65/585520465.db2.gz JLAHJZWFMBARER-UHFFFAOYSA-N 1 2 219.288 1.137 20 0 BDADLO O=C(CC[N@@H+]1CCc2cn[nH]c2C1)C1CC1 ZINC000767455085 585520466 /nfs/dbraw/zinc/52/04/66/585520466.db2.gz JLAHJZWFMBARER-UHFFFAOYSA-N 1 2 219.288 1.137 20 0 BDADLO O=C(CC[N@H+]1CCc2cn[nH]c2C1)C1CC1 ZINC000767455085 585520467 /nfs/dbraw/zinc/52/04/67/585520467.db2.gz JLAHJZWFMBARER-UHFFFAOYSA-N 1 2 219.288 1.137 20 0 BDADLO CC(C)OCC(N)=[NH+]OCc1ccccn1 ZINC000767545738 585522392 /nfs/dbraw/zinc/52/23/92/585522392.db2.gz CMHCVUCBQQPPLN-UHFFFAOYSA-N 1 2 223.276 1.505 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000767926523 585528551 /nfs/dbraw/zinc/52/85/51/585528551.db2.gz KVJZSCHUEBZHBM-CQSZACIVSA-N 1 2 245.326 1.850 20 0 BDADLO Cc1ccc(NC(=O)C(C)(C)C(N)=O)c(C)[nH+]1 ZINC000767948349 585528800 /nfs/dbraw/zinc/52/88/00/585528800.db2.gz NICARSDYCCIWAR-UHFFFAOYSA-N 1 2 235.287 1.148 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(C)OCCO2)[nH+]1 ZINC000768512909 585539535 /nfs/dbraw/zinc/53/95/35/585539535.db2.gz LOEFNVOPHDKQMB-UHFFFAOYSA-N 1 2 248.286 1.441 20 0 BDADLO CC(C)CO[NH+]=C(N)COC(C)(C)C ZINC000768933965 585546316 /nfs/dbraw/zinc/54/63/16/585546316.db2.gz XLXNAALXSWMRHX-UHFFFAOYSA-N 1 2 202.298 1.956 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCC1OCCO1 ZINC000768936051 585546472 /nfs/dbraw/zinc/54/64/72/585546472.db2.gz XSSWWTZSWPDKMA-UHFFFAOYSA-N 1 2 246.307 1.063 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000769142971 585550191 /nfs/dbraw/zinc/55/01/91/585550191.db2.gz LLXWUIDALLHQLH-ONGXEEELSA-N 1 2 234.299 1.847 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000769317006 585553867 /nfs/dbraw/zinc/55/38/67/585553867.db2.gz OYRJNTMPQBSUEO-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000769317006 585553868 /nfs/dbraw/zinc/55/38/68/585553868.db2.gz OYRJNTMPQBSUEO-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000769447675 585556819 /nfs/dbraw/zinc/55/68/19/585556819.db2.gz VIKQKAYODNYPPJ-LLVKDONJSA-N 1 2 222.288 1.773 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000769447675 585556820 /nfs/dbraw/zinc/55/68/20/585556820.db2.gz VIKQKAYODNYPPJ-LLVKDONJSA-N 1 2 222.288 1.773 20 0 BDADLO CC[C@H](NC(=O)C[C@@H](C)OC)c1[nH]cc[nH+]1 ZINC000769670030 585561481 /nfs/dbraw/zinc/56/14/81/585561481.db2.gz RXLDNXNRROXAAF-BDAKNGLRSA-N 1 2 225.292 1.402 20 0 BDADLO COC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000769752397 585562914 /nfs/dbraw/zinc/56/29/14/585562914.db2.gz NSRVKDIYUHSTTH-VIFPVBQESA-N 1 2 223.276 1.366 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCSCC1 ZINC000770408615 585573616 /nfs/dbraw/zinc/57/36/16/585573616.db2.gz LFLVUGXHRASDBR-UHFFFAOYSA-N 1 2 247.323 1.523 20 0 BDADLO O=C(NCC1CC1)c1cccc2[nH+]ccn21 ZINC000770396273 585573618 /nfs/dbraw/zinc/57/36/18/585573618.db2.gz HEVQYGGHIFEASH-UHFFFAOYSA-N 1 2 215.256 1.474 20 0 BDADLO C[C@@]1(c2noc(Cn3cc[nH+]c3)n2)CCCO1 ZINC000770898879 585583900 /nfs/dbraw/zinc/58/39/00/585583900.db2.gz ASIMSEYCFVDVIC-NSHDSACASA-N 1 2 234.259 1.340 20 0 BDADLO CC[C@@H](OC)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770928628 585584458 /nfs/dbraw/zinc/58/44/58/585584458.db2.gz ZIQVNGUKXLOWPR-LLVKDONJSA-N 1 2 248.282 1.803 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OC[C@H]1CCOC1 ZINC000771663916 585598709 /nfs/dbraw/zinc/59/87/09/585598709.db2.gz DLTXKAXZOFKPPE-NSHDSACASA-N 1 2 235.287 1.159 20 0 BDADLO CC(C)(O)CCO[NH+]=C(N)Cc1cccnc1 ZINC000771665272 585598790 /nfs/dbraw/zinc/59/87/90/585598790.db2.gz WPKJVXAXVOXCFD-UHFFFAOYSA-N 1 2 237.303 1.284 20 0 BDADLO CCCc1nc(C[NH2+][C@H](CCO)C2CC2)no1 ZINC000771804675 585600864 /nfs/dbraw/zinc/60/08/64/585600864.db2.gz WLQFIORSOVOUAU-SNVBAGLBSA-N 1 2 239.319 1.273 20 0 BDADLO CC(C)OCCC(=O)OCCn1cc[nH+]c1 ZINC000771906069 585604175 /nfs/dbraw/zinc/60/41/75/585604175.db2.gz UFEVRANQXUJEOH-UHFFFAOYSA-N 1 2 226.276 1.241 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1CCSCC1 ZINC000771967496 585605910 /nfs/dbraw/zinc/60/59/10/585605910.db2.gz FDHYKRHZJJEFDY-UHFFFAOYSA-N 1 2 240.328 1.570 20 0 BDADLO Cc1ccc(CCC(=O)OCCn2cc[nH+]c2)o1 ZINC000771985473 585606070 /nfs/dbraw/zinc/60/60/70/585606070.db2.gz YIWWZKQLDSSFQK-UHFFFAOYSA-N 1 2 248.282 1.961 20 0 BDADLO C[C@H](C(=O)OCCn1cc[nH+]c1)C(F)(F)F ZINC000771985218 585606131 /nfs/dbraw/zinc/60/61/31/585606131.db2.gz LAJMMUYEGNMXHD-SSDOTTSWSA-N 1 2 236.193 1.625 20 0 BDADLO Cc1ncoc1C(=O)OCCn1cc[nH+]c1 ZINC000771997310 585606310 /nfs/dbraw/zinc/60/63/10/585606310.db2.gz UBHUSUSGZJQXFL-UHFFFAOYSA-N 1 2 221.216 1.037 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cncc(F)c1 ZINC000772004410 585606585 /nfs/dbraw/zinc/60/65/85/585606585.db2.gz QMFOKKHHJLYPAJ-UHFFFAOYSA-N 1 2 235.218 1.274 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(F)CCCC1 ZINC000772020307 585607171 /nfs/dbraw/zinc/60/71/71/585607171.db2.gz BJHXGUKESYAYAG-UHFFFAOYSA-N 1 2 225.267 1.319 20 0 BDADLO CS[C@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000772034454 585607364 /nfs/dbraw/zinc/60/73/64/585607364.db2.gz LNVDVLXSXXIOGA-SECBINFHSA-N 1 2 228.317 1.568 20 0 BDADLO Cc1ccc(COC(=O)c2ccnnc2)c(C)[nH+]1 ZINC000772212186 585610280 /nfs/dbraw/zinc/61/02/80/585610280.db2.gz MIYDNKALBJMBDV-UHFFFAOYSA-N 1 2 243.266 1.845 20 0 BDADLO Cc1ccc(COC(=O)C2(C)COC2)c(C)[nH+]1 ZINC000772266776 585611468 /nfs/dbraw/zinc/61/14/68/585611468.db2.gz ODGAZPPNLNLTIM-UHFFFAOYSA-N 1 2 235.283 1.778 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCSC)C1 ZINC000805471583 585624141 /nfs/dbraw/zinc/62/41/41/585624141.db2.gz OJEKZPSPISRCNR-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCCSC)C1 ZINC000805471583 585624142 /nfs/dbraw/zinc/62/41/42/585624142.db2.gz OJEKZPSPISRCNR-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1cnccn1 ZINC000774037657 585648703 /nfs/dbraw/zinc/64/87/03/585648703.db2.gz OKNHIRBSPHVTPI-ZYHUDNBSSA-N 1 2 249.314 1.565 20 0 BDADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1cnccn1 ZINC000774037657 585648704 /nfs/dbraw/zinc/64/87/04/585648704.db2.gz OKNHIRBSPHVTPI-ZYHUDNBSSA-N 1 2 249.314 1.565 20 0 BDADLO C[C@H]1COCC[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000774122536 585651104 /nfs/dbraw/zinc/65/11/04/585651104.db2.gz KLJRCYMOJHRLNU-GXSJLCMTSA-N 1 2 238.287 1.136 20 0 BDADLO C[C@@H]1CC[C@H](COC(=O)[C@@H]2CCCC[N@@H+]2C)O1 ZINC000774257317 585655179 /nfs/dbraw/zinc/65/51/79/585655179.db2.gz PFNBNANXJVZETH-UTUOFQBUSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]1CC[C@H](COC(=O)[C@@H]2CCCC[N@H+]2C)O1 ZINC000774257317 585655180 /nfs/dbraw/zinc/65/51/80/585655180.db2.gz PFNBNANXJVZETH-UTUOFQBUSA-N 1 2 241.331 1.581 20 0 BDADLO NC(=[NH+]OCCCO)c1cccc(F)c1 ZINC000776297875 585695160 /nfs/dbraw/zinc/69/51/60/585695160.db2.gz UHCUBARESNGJCT-UHFFFAOYSA-N 1 2 212.224 1.055 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(F)nc1 ZINC000776353921 585696168 /nfs/dbraw/zinc/69/61/68/585696168.db2.gz DMFZJHDQDGZWEV-UHFFFAOYSA-N 1 2 234.234 1.135 20 0 BDADLO CC[C@H](CO)[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000776422128 585698341 /nfs/dbraw/zinc/69/83/41/585698341.db2.gz FEYYDJUEIMWJSO-LLVKDONJSA-N 1 2 247.298 1.597 20 0 BDADLO C[C@H]1C[C@@H](C(=O)OCc2c[nH+]cn2C)CCO1 ZINC000776525349 585699997 /nfs/dbraw/zinc/69/99/97/585699997.db2.gz SLJYOEDQXAEPLR-UWVGGRQHSA-N 1 2 238.287 1.278 20 0 BDADLO COC1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000776574193 585700735 /nfs/dbraw/zinc/70/07/35/585700735.db2.gz FADNONPDARVZNI-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO CCC1(O)CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000776587480 585701850 /nfs/dbraw/zinc/70/18/50/585701850.db2.gz IBAKINFEAANAND-UHFFFAOYSA-N 1 2 243.347 1.423 20 0 BDADLO c1nncn1C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000776759675 585704975 /nfs/dbraw/zinc/70/49/75/585704975.db2.gz BXNLWTLBEULUOD-ZDUSSCGKSA-N 1 2 244.298 1.309 20 0 BDADLO c1nncn1C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000776759675 585704976 /nfs/dbraw/zinc/70/49/76/585704976.db2.gz BXNLWTLBEULUOD-ZDUSSCGKSA-N 1 2 244.298 1.309 20 0 BDADLO Cl/C=C(\Cl)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776872523 585706503 /nfs/dbraw/zinc/70/65/03/585706503.db2.gz AWBSEXADSGNSHT-PTDYZRSTSA-N 1 2 247.129 1.844 20 0 BDADLO Cl/C=C(\Cl)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776872523 585706504 /nfs/dbraw/zinc/70/65/04/585706504.db2.gz AWBSEXADSGNSHT-PTDYZRSTSA-N 1 2 247.129 1.844 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCC=CO1 ZINC000777838995 585721134 /nfs/dbraw/zinc/72/11/34/585721134.db2.gz QULCXHZNUAKGME-LLVKDONJSA-N 1 2 235.287 1.082 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@H]1CCCCO1 ZINC000778122723 585725925 /nfs/dbraw/zinc/72/59/25/585725925.db2.gz TVZGDAQMWMTTII-VXGBXAGGSA-N 1 2 241.331 1.583 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@H]1CCCCO1 ZINC000778122723 585725926 /nfs/dbraw/zinc/72/59/26/585725926.db2.gz TVZGDAQMWMTTII-VXGBXAGGSA-N 1 2 241.331 1.583 20 0 BDADLO Cn1ccc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000778595367 585737954 /nfs/dbraw/zinc/73/79/54/585737954.db2.gz OVJCKJNTYYNUNC-UHFFFAOYSA-N 1 2 245.286 1.056 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCCNC(=O)C1 ZINC000779001861 585743771 /nfs/dbraw/zinc/74/37/71/585743771.db2.gz FOQVNWSPCNCUAC-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCCNC(=O)C1 ZINC000779001861 585743772 /nfs/dbraw/zinc/74/37/72/585743772.db2.gz FOQVNWSPCNCUAC-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO C/C(=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094878 585745060 /nfs/dbraw/zinc/74/50/60/585745060.db2.gz FUYUJQGJSNGYPB-ZJNQMXKESA-N 1 2 245.326 1.670 20 0 BDADLO C/C=C(/C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779095188 585745321 /nfs/dbraw/zinc/74/53/21/585745321.db2.gz HKSICGWFRZOGPH-BNFOFFDWSA-N 1 2 219.288 1.280 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(F)nc1 ZINC000779153726 585746236 /nfs/dbraw/zinc/74/62/36/585746236.db2.gz JTRHIYLGYFSXER-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)nc1 ZINC000779153726 585746237 /nfs/dbraw/zinc/74/62/37/585746237.db2.gz JTRHIYLGYFSXER-UHFFFAOYSA-N 1 2 239.294 1.131 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC=CO1 ZINC000779217599 585747595 /nfs/dbraw/zinc/74/75/95/585747595.db2.gz QEJFDSRDUBLTCD-WDEREUQCSA-N 1 2 247.298 1.007 20 0 BDADLO NC(CCO)=[NH+]OCc1ccc2c(c1)COC2 ZINC000780128168 585773024 /nfs/dbraw/zinc/77/30/24/585773024.db2.gz XHQMEJCCNVLKFX-UHFFFAOYSA-N 1 2 236.271 1.098 20 0 BDADLO O=C(C=Cc1cccc(O)c1)NCc1c[nH+]c[nH]1 ZINC000780774509 585784556 /nfs/dbraw/zinc/78/45/56/585784556.db2.gz LUMCCWNVAMLCMG-PLNGDYQASA-N 1 2 243.266 1.445 20 0 BDADLO O=C(C=Cc1cccc(O)c1)NCc1c[nH]c[nH+]1 ZINC000780774509 585784557 /nfs/dbraw/zinc/78/45/57/585784557.db2.gz LUMCCWNVAMLCMG-PLNGDYQASA-N 1 2 243.266 1.445 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000780937770 585786742 /nfs/dbraw/zinc/78/67/42/585786742.db2.gz GLRFBZXHPXJWPM-KTKRTIGZSA-N 1 2 221.304 1.815 20 0 BDADLO COC(C[N@H+](CC(F)F)CC1CCC1)OC ZINC000781904747 585805083 /nfs/dbraw/zinc/80/50/83/585805083.db2.gz SMWBELFNQALWDL-UHFFFAOYSA-N 1 2 237.290 1.973 20 0 BDADLO COC(C[N@@H+](CC(F)F)CC1CCC1)OC ZINC000781904747 585805084 /nfs/dbraw/zinc/80/50/84/585805084.db2.gz SMWBELFNQALWDL-UHFFFAOYSA-N 1 2 237.290 1.973 20 0 BDADLO Cc1nc(C[N@H+](C)CCCCCCO)no1 ZINC000782054345 585807497 /nfs/dbraw/zinc/80/74/97/585807497.db2.gz HBDKSXNBOYKFAG-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCCCCO)no1 ZINC000782054345 585807498 /nfs/dbraw/zinc/80/74/98/585807498.db2.gz HBDKSXNBOYKFAG-UHFFFAOYSA-N 1 2 227.308 1.363 20 0 BDADLO COc1c(NCc2[nH]cc[nH+]2)cccc1C(N)=O ZINC000782391386 585816888 /nfs/dbraw/zinc/81/68/88/585816888.db2.gz HMERAPNHHOBNEH-UHFFFAOYSA-N 1 2 246.270 1.129 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000782563676 585820361 /nfs/dbraw/zinc/82/03/61/585820361.db2.gz ZCLITQFHROEYBF-CHWSQXEVSA-N 1 2 248.326 1.590 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCOc1ccccc1 ZINC000782594484 585821270 /nfs/dbraw/zinc/82/12/70/585821270.db2.gz YYCYLXUXEAKCPR-GFCCVEGCSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCOc1ccccc1 ZINC000782594484 585821271 /nfs/dbraw/zinc/82/12/71/585821271.db2.gz YYCYLXUXEAKCPR-GFCCVEGCSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(F)(F)F ZINC000782596245 585821437 /nfs/dbraw/zinc/82/14/37/585821437.db2.gz PBDICOPUMHUXEY-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(F)(F)F ZINC000782596245 585821438 /nfs/dbraw/zinc/82/14/38/585821438.db2.gz PBDICOPUMHUXEY-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000782636795 585823733 /nfs/dbraw/zinc/82/37/33/585823733.db2.gz YOHZDNJWBYVMSA-GXFFZTMASA-N 1 2 234.299 1.366 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000782636795 585823734 /nfs/dbraw/zinc/82/37/34/585823734.db2.gz YOHZDNJWBYVMSA-GXFFZTMASA-N 1 2 234.299 1.366 20 0 BDADLO CSC[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000783583483 585837566 /nfs/dbraw/zinc/83/75/66/585837566.db2.gz OLAXWBHHPFGGAP-SNVBAGLBSA-N 1 2 242.344 1.816 20 0 BDADLO C[C@@H](c1nncn1C)[NH+]1CCC(F)(F)CC1 ZINC000805753164 585844659 /nfs/dbraw/zinc/84/46/59/585844659.db2.gz NKBQISXYYYPHFD-QMMMGPOBSA-N 1 2 230.262 1.607 20 0 BDADLO CC(C)[C@H](F)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000784300246 585855102 /nfs/dbraw/zinc/85/51/02/585855102.db2.gz UVPBBFJTMBUFDS-LBPRGKRZSA-N 1 2 249.289 1.945 20 0 BDADLO Cc1ccc(C(=O)OCCCn2cc[nH+]c2)nc1 ZINC000784353473 585856790 /nfs/dbraw/zinc/85/67/90/585856790.db2.gz UBZBRRGICRSIMI-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO CC(C)[C@H](F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000784400257 585858692 /nfs/dbraw/zinc/85/86/92/585858692.db2.gz VYYQPXFCGASVRT-VIFPVBQESA-N 1 2 213.256 1.063 20 0 BDADLO CC(C)[C@@H](F)C(=O)Nc1cc[nH+]cc1O ZINC000784456654 585860433 /nfs/dbraw/zinc/86/04/33/585860433.db2.gz XIJGJOYOEDYDSJ-SECBINFHSA-N 1 2 212.224 1.142 20 0 BDADLO O=C(Cc1ccoc1)OCCCn1cc[nH+]c1 ZINC000784786536 585866140 /nfs/dbraw/zinc/86/61/40/585866140.db2.gz CQIUOSFNGUUSBS-UHFFFAOYSA-N 1 2 234.255 1.652 20 0 BDADLO CC[C@H](NC(=O)[C@H](F)C(C)C)c1[nH]cc[nH+]1 ZINC000784788856 585866161 /nfs/dbraw/zinc/86/61/61/585866161.db2.gz AJDJRYVQEKQACH-DTWKUNHWSA-N 1 2 227.283 1.971 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CC1CC1 ZINC000784904408 585868259 /nfs/dbraw/zinc/86/82/59/585868259.db2.gz DLXBGNWLYGLZRM-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO CCC/C=C\C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784919067 585868396 /nfs/dbraw/zinc/86/83/96/585868396.db2.gz VNZPLBYNNHGYOC-FJOGCWAESA-N 1 2 241.331 1.607 20 0 BDADLO CO[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC000785431206 585873913 /nfs/dbraw/zinc/87/39/13/585873913.db2.gz YJHHLPNTEWTAIE-SECBINFHSA-N 1 2 233.271 1.099 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000785517483 585875222 /nfs/dbraw/zinc/87/52/22/585875222.db2.gz KHRFTFKTPGZJBS-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCCC1(O)CC1 ZINC000785518813 585875349 /nfs/dbraw/zinc/87/53/49/585875349.db2.gz UYHDKLDVARCVJR-UHFFFAOYSA-N 1 2 235.287 1.038 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)C1CC1 ZINC000785738306 585879501 /nfs/dbraw/zinc/87/95/01/585879501.db2.gz ZHRCDRJKUORUIO-AOOOYVTPSA-N 1 2 239.315 1.382 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)C1CC1 ZINC000785738306 585879502 /nfs/dbraw/zinc/87/95/02/585879502.db2.gz ZHRCDRJKUORUIO-AOOOYVTPSA-N 1 2 239.315 1.382 20 0 BDADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)ncn1 ZINC000786112193 585887762 /nfs/dbraw/zinc/88/77/62/585887762.db2.gz FRBGHGJJGSFPEI-UHFFFAOYSA-N 1 2 246.270 1.229 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCOCC(F)F ZINC000786741226 585896923 /nfs/dbraw/zinc/89/69/23/585896923.db2.gz CVVBPBIRMINYOU-UHFFFAOYSA-N 1 2 240.250 1.192 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000787308041 585906390 /nfs/dbraw/zinc/90/63/90/585906390.db2.gz NXVLBNZTVLXRNC-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(F)F)C1 ZINC000787472978 585909689 /nfs/dbraw/zinc/90/96/89/585909689.db2.gz HQADGWFGDVTRRR-ZETCQYMHSA-N 1 2 229.230 1.001 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)C(C)(C)C)[NH+](C)C ZINC000787960952 585918057 /nfs/dbraw/zinc/91/80/57/585918057.db2.gz JHLQXNICMWWHKS-NSHDSACASA-N 1 2 243.347 1.731 20 0 BDADLO C[NH+](C)C(C)(C)CNC(=O)[C@@H](F)C(F)(F)F ZINC000788276626 585921046 /nfs/dbraw/zinc/92/10/46/585921046.db2.gz AYUJWYOPGQLUDK-ZCFIWIBFSA-N 1 2 244.232 1.343 20 0 BDADLO C[NH+](C)C(C)(C)CNC(=O)C(F)C(F)(F)F ZINC000788276626 585921047 /nfs/dbraw/zinc/92/10/47/585921047.db2.gz AYUJWYOPGQLUDK-ZCFIWIBFSA-N 1 2 244.232 1.343 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000788747974 585929974 /nfs/dbraw/zinc/92/99/74/585929974.db2.gz PTJVBCDZYHRJSS-GFLSPSCZSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000788963913 585932578 /nfs/dbraw/zinc/93/25/78/585932578.db2.gz AQUKSIJBWXNLRG-LBQOUHFTSA-N 1 2 233.315 1.670 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC1(C)C ZINC000789301003 585939242 /nfs/dbraw/zinc/93/92/42/585939242.db2.gz VRIGNVSXMVUQLJ-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC1(C)C ZINC000789301003 585939243 /nfs/dbraw/zinc/93/92/43/585939243.db2.gz VRIGNVSXMVUQLJ-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO CCCCC(=O)OCCc1c[nH+]cn1C ZINC000789775208 585949744 /nfs/dbraw/zinc/94/97/44/585949744.db2.gz ATDCTWHFLRWCIU-UHFFFAOYSA-N 1 2 210.277 1.696 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2C[C@@H](C)CC2=O)c1 ZINC000790450682 585964897 /nfs/dbraw/zinc/96/48/97/585964897.db2.gz JOWJDVDEMLXLCQ-LBPRGKRZSA-N 1 2 249.358 1.766 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2C[C@@H](C)CC2=O)c1 ZINC000790450682 585964898 /nfs/dbraw/zinc/96/48/98/585964898.db2.gz JOWJDVDEMLXLCQ-LBPRGKRZSA-N 1 2 249.358 1.766 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C)c1Cl ZINC000790984043 585971507 /nfs/dbraw/zinc/97/15/07/585971507.db2.gz CESJTLJWNZTTKK-SSDOTTSWSA-N 1 2 242.710 1.404 20 0 BDADLO Cc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C)c1Cl ZINC000790984043 585971508 /nfs/dbraw/zinc/97/15/08/585971508.db2.gz CESJTLJWNZTTKK-SSDOTTSWSA-N 1 2 242.710 1.404 20 0 BDADLO C=CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000791341706 585977950 /nfs/dbraw/zinc/97/79/50/585977950.db2.gz USGIBZQXVSKYCR-UHFFFAOYSA-N 1 2 205.261 1.233 20 0 BDADLO COC/C=C/C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000791340085 585978034 /nfs/dbraw/zinc/97/80/34/585978034.db2.gz IOMMABQRIYZADQ-NSCUHMNNSA-N 1 2 249.314 1.318 20 0 BDADLO Nc1cc(COC(=O)c2cncc(O)c2)cc[nH+]1 ZINC000791885677 585990135 /nfs/dbraw/zinc/99/01/35/585990135.db2.gz NXJZAVXTEUIAOR-UHFFFAOYSA-N 1 2 245.238 1.121 20 0 BDADLO CCC1(C(=O)OCc2cc[nH+]c(N)c2)COC1 ZINC000792012475 585993493 /nfs/dbraw/zinc/99/34/93/585993493.db2.gz SVZXLVBKXMTRBU-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO Nc1cc(COC(=O)Cc2ccco2)cc[nH+]1 ZINC000792036547 585994285 /nfs/dbraw/zinc/99/42/85/585994285.db2.gz OZZSGAXNBMEHIP-UHFFFAOYSA-N 1 2 232.239 1.543 20 0 BDADLO Cc1ccn(C)c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792169260 585997021 /nfs/dbraw/zinc/99/70/21/585997021.db2.gz FJOKDDMQCGADFE-UHFFFAOYSA-N 1 2 245.282 1.668 20 0 BDADLO Cc1[nH]ncc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792201648 585997651 /nfs/dbraw/zinc/99/76/51/585997651.db2.gz FNDAHFXBRWYYFU-UHFFFAOYSA-N 1 2 232.243 1.052 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000792232425 585998181 /nfs/dbraw/zinc/99/81/81/585998181.db2.gz YDWDRVDNORNNBS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccnc(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000792232425 585998182 /nfs/dbraw/zinc/99/81/82/585998182.db2.gz YDWDRVDNORNNBS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ncccn1)c1cccs1 ZINC000792282185 585998880 /nfs/dbraw/zinc/99/88/80/585998880.db2.gz CWXPUAJZQSBCHW-SNVBAGLBSA-N 1 2 249.339 1.751 20 0 BDADLO Cn1cc([C@H]2CSCC[N@@H+]2CCF)cn1 ZINC000792418987 586000694 /nfs/dbraw/zinc/00/06/94/586000694.db2.gz PTVKFDOBVZWJCJ-SNVBAGLBSA-N 1 2 229.324 1.480 20 0 BDADLO Cn1cc([C@H]2CSCC[N@H+]2CCF)cn1 ZINC000792418987 586000695 /nfs/dbraw/zinc/00/06/95/586000695.db2.gz PTVKFDOBVZWJCJ-SNVBAGLBSA-N 1 2 229.324 1.480 20 0 BDADLO CSC1(C(=O)OCCc2c[nH+]cn2C)CC1 ZINC000793248709 586015057 /nfs/dbraw/zinc/01/50/57/586015057.db2.gz BMVXEGUKAWTIDK-UHFFFAOYSA-N 1 2 240.328 1.401 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(C)CC1 ZINC000793254778 586015472 /nfs/dbraw/zinc/01/54/72/586015472.db2.gz WSXHTVCALWIXDS-UHFFFAOYSA-N 1 2 208.261 1.306 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000793322878 586016684 /nfs/dbraw/zinc/01/66/84/586016684.db2.gz MGRGAQHIZUGNBD-SNVBAGLBSA-N 1 2 249.310 1.710 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000793322878 586016685 /nfs/dbraw/zinc/01/66/85/586016685.db2.gz MGRGAQHIZUGNBD-SNVBAGLBSA-N 1 2 249.310 1.710 20 0 BDADLO CSCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000793533400 586021992 /nfs/dbraw/zinc/02/19/92/586021992.db2.gz ALWNCBAXBRKZSR-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO CSCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000793533400 586021993 /nfs/dbraw/zinc/02/19/93/586021993.db2.gz ALWNCBAXBRKZSR-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2ccn(C)n2)n(C)n1 ZINC000793548745 586022473 /nfs/dbraw/zinc/02/24/73/586022473.db2.gz VATXJPBWPLMVPS-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000794578148 586045064 /nfs/dbraw/zinc/04/50/64/586045064.db2.gz WTRZKQHYCCRKHG-RYUDHWBXSA-N 1 2 243.347 1.470 20 0 BDADLO CC(C)OCC(N)=[NH+]OCc1cncc(F)c1 ZINC000794884900 586053224 /nfs/dbraw/zinc/05/32/24/586053224.db2.gz VXLVHJDDWMTSMW-UHFFFAOYSA-N 1 2 241.266 1.644 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)C1(C)CC1 ZINC000795522956 586083180 /nfs/dbraw/zinc/08/31/80/586083180.db2.gz WFJCRQNVHJPYBX-SNVBAGLBSA-N 1 2 239.315 1.383 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)C1(C)CC1 ZINC000795522956 586083182 /nfs/dbraw/zinc/08/31/82/586083182.db2.gz WFJCRQNVHJPYBX-SNVBAGLBSA-N 1 2 239.315 1.383 20 0 BDADLO c1cc([C@@H]2CCCC[N@H+]2Cn2cnnc2)n[nH]1 ZINC000795672272 586090702 /nfs/dbraw/zinc/09/07/02/586090702.db2.gz YPNMIKDXVBPWLP-NSHDSACASA-N 1 2 232.291 1.186 20 0 BDADLO c1cc([C@@H]2CCCC[N@@H+]2Cn2cnnc2)n[nH]1 ZINC000795672272 586090703 /nfs/dbraw/zinc/09/07/03/586090703.db2.gz YPNMIKDXVBPWLP-NSHDSACASA-N 1 2 232.291 1.186 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000795666013 586090760 /nfs/dbraw/zinc/09/07/60/586090760.db2.gz GLTLSAULKNHHKN-GFCCVEGCSA-N 1 2 248.330 1.517 20 0 BDADLO O=C1CCCN1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000795666013 586090761 /nfs/dbraw/zinc/09/07/61/586090761.db2.gz GLTLSAULKNHHKN-GFCCVEGCSA-N 1 2 248.330 1.517 20 0 BDADLO Clc1cnc(CN2CCc3[nH+]c[nH]c3C2)cn1 ZINC000859306535 589030008 /nfs/dbraw/zinc/03/00/08/589030008.db2.gz XTYBGGXTGMMJOC-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CO[C@H](C(=O)OCCCn1cc[nH+]c1)C1CC1 ZINC000795841442 586093286 /nfs/dbraw/zinc/09/32/86/586093286.db2.gz RSYWBVGJEYENLD-NSHDSACASA-N 1 2 238.287 1.241 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCOC1 ZINC000796203419 586098631 /nfs/dbraw/zinc/09/86/31/586098631.db2.gz NPQURIJGFNMBAR-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCOC1 ZINC000796203419 586098632 /nfs/dbraw/zinc/09/86/32/586098632.db2.gz NPQURIJGFNMBAR-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@](C)(OC)C(=O)OCCCn1cc[nH+]c1 ZINC000796407817 586103035 /nfs/dbraw/zinc/10/30/35/586103035.db2.gz BSWMXGQOBFCQCD-LBPRGKRZSA-N 1 2 240.303 1.632 20 0 BDADLO CC[N@H+](Cc1cnc[nH]1)Cc1ccncc1 ZINC000796447253 586103140 /nfs/dbraw/zinc/10/31/40/586103140.db2.gz BRZRJPXWBRKKBD-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO CC[N@@H+](Cc1cnc[nH]1)Cc1ccncc1 ZINC000796447253 586103141 /nfs/dbraw/zinc/10/31/41/586103141.db2.gz BRZRJPXWBRKKBD-UHFFFAOYSA-N 1 2 216.288 1.827 20 0 BDADLO O=c1cc(C[NH+]2CCC(F)(F)CC2)occ1O ZINC000796539756 586106498 /nfs/dbraw/zinc/10/64/98/586106498.db2.gz OCVINRYOIONDIJ-UHFFFAOYSA-N 1 2 245.225 1.577 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n(-c2ccccc2)n1 ZINC000799146212 586161578 /nfs/dbraw/zinc/16/15/78/586161578.db2.gz BRZXLZBESJBEKR-YPMHNXCESA-N 1 2 240.310 1.862 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)n(-c2ccccc2)n1 ZINC000799146212 586161580 /nfs/dbraw/zinc/16/15/80/586161580.db2.gz BRZXLZBESJBEKR-YPMHNXCESA-N 1 2 240.310 1.862 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)OCC(C)C)CCCO1 ZINC000799201393 586167757 /nfs/dbraw/zinc/16/77/57/586167757.db2.gz VXHMZBQCJSISRJ-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)OCC(C)C)CCCO1 ZINC000799201393 586167758 /nfs/dbraw/zinc/16/77/58/586167758.db2.gz VXHMZBQCJSISRJ-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)o1 ZINC000859323840 589031758 /nfs/dbraw/zinc/03/17/58/589031758.db2.gz LEWXOUKSXURMEU-JTQLQIEISA-N 1 2 232.230 1.185 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@](O)(C(F)F)C2)o1 ZINC000859323840 589031760 /nfs/dbraw/zinc/03/17/60/589031760.db2.gz LEWXOUKSXURMEU-JTQLQIEISA-N 1 2 232.230 1.185 20 0 BDADLO COCC[N@H+](CCF)Cc1ccnc(F)c1 ZINC000859350269 589033163 /nfs/dbraw/zinc/03/31/63/589033163.db2.gz MJFYYQGXSMOMIT-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccnc(F)c1 ZINC000859350269 589033164 /nfs/dbraw/zinc/03/31/64/589033164.db2.gz MJFYYQGXSMOMIT-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO CC(=O)CCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000800522600 586224188 /nfs/dbraw/zinc/22/41/88/586224188.db2.gz JNYWICJZXAJZBM-UHFFFAOYSA-N 1 2 249.314 1.764 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000801563640 586263193 /nfs/dbraw/zinc/26/31/93/586263193.db2.gz GBHQBNPRHNYKHD-NSHDSACASA-N 1 2 242.269 1.590 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000801563640 586263195 /nfs/dbraw/zinc/26/31/95/586263195.db2.gz GBHQBNPRHNYKHD-NSHDSACASA-N 1 2 242.269 1.590 20 0 BDADLO CCSCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563706 586263751 /nfs/dbraw/zinc/26/37/51/586263751.db2.gz RYKWRNHLZIUMDE-MRVPVSSYSA-N 1 2 225.304 1.705 20 0 BDADLO CCSCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563706 586263753 /nfs/dbraw/zinc/26/37/53/586263753.db2.gz RYKWRNHLZIUMDE-MRVPVSSYSA-N 1 2 225.304 1.705 20 0 BDADLO CCCCOCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801567697 586264494 /nfs/dbraw/zinc/26/44/94/586264494.db2.gz VCFUDIBJXIXMAF-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO CCCCOCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801567697 586264497 /nfs/dbraw/zinc/26/44/97/586264497.db2.gz VCFUDIBJXIXMAF-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO O=C1c2ncccc2CN1C[NH+]1CCCCC1 ZINC000839950151 586285306 /nfs/dbraw/zinc/28/53/06/586285306.db2.gz OUGMGTZODDBYNI-UHFFFAOYSA-N 1 2 231.299 1.481 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1C(F)F ZINC000802098623 586289495 /nfs/dbraw/zinc/28/94/95/586289495.db2.gz UJJJMQJWGULZNQ-YUMQZZPRSA-N 1 2 230.214 1.365 20 0 BDADLO C[N@H+](CN1Cc2cccnc2C1=O)C1CC1 ZINC000839956986 586294068 /nfs/dbraw/zinc/29/40/68/586294068.db2.gz AQMOWTQPRHOOST-UHFFFAOYSA-N 1 2 217.272 1.089 20 0 BDADLO C[N@@H+](CN1Cc2cccnc2C1=O)C1CC1 ZINC000839956986 586294070 /nfs/dbraw/zinc/29/40/70/586294070.db2.gz AQMOWTQPRHOOST-UHFFFAOYSA-N 1 2 217.272 1.089 20 0 BDADLO CO[C@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)C(C)C ZINC000802236802 586297219 /nfs/dbraw/zinc/29/72/19/586297219.db2.gz RULBRKHJVWSQNS-QWRGUYRKSA-N 1 2 247.310 1.244 20 0 BDADLO CO[C@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)C(C)C ZINC000802236802 586297221 /nfs/dbraw/zinc/29/72/21/586297221.db2.gz RULBRKHJVWSQNS-QWRGUYRKSA-N 1 2 247.310 1.244 20 0 BDADLO CC1(C)C[C@@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802232953 586297700 /nfs/dbraw/zinc/29/77/00/586297700.db2.gz MHPFACQXVVQLAC-NXEZZACHSA-N 1 2 229.295 1.620 20 0 BDADLO CC1(C)C[C@@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802232953 586297701 /nfs/dbraw/zinc/29/77/01/586297701.db2.gz MHPFACQXVVQLAC-NXEZZACHSA-N 1 2 229.295 1.620 20 0 BDADLO CS[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242733 586298482 /nfs/dbraw/zinc/29/84/82/586298482.db2.gz PJVWTHSKNCPKCV-IUCAKERBSA-N 1 2 235.324 1.325 20 0 BDADLO CS[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242733 586298485 /nfs/dbraw/zinc/29/84/85/586298485.db2.gz PJVWTHSKNCPKCV-IUCAKERBSA-N 1 2 235.324 1.325 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000839974933 586308755 /nfs/dbraw/zinc/30/87/55/586308755.db2.gz UWFRBBORMJBIKJ-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CCN(C[N@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000839974933 586308756 /nfs/dbraw/zinc/30/87/56/586308756.db2.gz UWFRBBORMJBIKJ-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)/C=C\C2CC2)C1 ZINC000802774946 586313276 /nfs/dbraw/zinc/31/32/76/586313276.db2.gz ACOUTUONPNMBER-WAYWQWQTSA-N 1 2 239.315 1.217 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)C1CCC1)[NH+](C)C ZINC000803496926 586362228 /nfs/dbraw/zinc/36/22/28/586362228.db2.gz JQGKZGXRBYTUPL-LBPRGKRZSA-N 1 2 241.331 1.485 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]2C[C@@H]21 ZINC000804292726 586387771 /nfs/dbraw/zinc/38/77/71/586387771.db2.gz ZYUHRRNYMBFEOR-KOLCDFICSA-N 1 2 219.288 1.353 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]2C[C@@H]21 ZINC000804292726 586387769 /nfs/dbraw/zinc/38/77/69/586387769.db2.gz ZYUHRRNYMBFEOR-KOLCDFICSA-N 1 2 219.288 1.353 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]2C[C@@H]21 ZINC000804292366 586387778 /nfs/dbraw/zinc/38/77/78/586387778.db2.gz XOKANDBMTVWHOB-NEPJUHHUSA-N 1 2 233.315 1.674 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H]2C[C@H]21 ZINC000804292367 586387844 /nfs/dbraw/zinc/38/78/44/586387844.db2.gz XOKANDBMTVWHOB-NWDGAFQWSA-N 1 2 233.315 1.674 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@H]1F ZINC000840039502 586390360 /nfs/dbraw/zinc/39/03/60/586390360.db2.gz AHVSTHBWXWTYBB-KKOKHZNYSA-N 1 2 240.322 1.635 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@H]1F ZINC000840039502 586390361 /nfs/dbraw/zinc/39/03/61/586390361.db2.gz AHVSTHBWXWTYBB-KKOKHZNYSA-N 1 2 240.322 1.635 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337193 586391976 /nfs/dbraw/zinc/39/19/76/586391976.db2.gz WLECNUAVCDBMSS-INJWIWPUSA-N 1 2 233.315 1.670 20 0 BDADLO CC/C=C(/C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337195 586392437 /nfs/dbraw/zinc/39/24/37/586392437.db2.gz WLECNUAVCDBMSS-NEOSZVFXSA-N 1 2 233.315 1.670 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(=O)C(C)(C)C)[C@@H](C)C1 ZINC000804381540 586394682 /nfs/dbraw/zinc/39/46/82/586394682.db2.gz PYGKQBOXURXJMN-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(=O)C(C)(C)C)[C@@H](C)C1 ZINC000804381540 586394683 /nfs/dbraw/zinc/39/46/83/586394683.db2.gz PYGKQBOXURXJMN-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H]2COC)C1 ZINC000840084455 586423722 /nfs/dbraw/zinc/42/37/22/586423722.db2.gz TZEZOJQUQGQNGH-WCQYABFASA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H]2COC)C1 ZINC000840084455 586423723 /nfs/dbraw/zinc/42/37/23/586423723.db2.gz TZEZOJQUQGQNGH-WCQYABFASA-N 1 2 240.347 1.313 20 0 BDADLO CC[NH2+]Cc1noc(/C=C/C2CCOCC2)n1 ZINC000843145245 586444669 /nfs/dbraw/zinc/44/46/69/586444669.db2.gz ZANHMXBAQSOOLC-ONEGZZNKSA-N 1 2 237.303 1.619 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000840102647 586446510 /nfs/dbraw/zinc/44/65/10/586446510.db2.gz YWLPXKUITOWTJZ-ZYHUDNBSSA-N 1 2 228.311 1.636 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](F)C2)C1 ZINC000840102647 586446511 /nfs/dbraw/zinc/44/65/11/586446511.db2.gz YWLPXKUITOWTJZ-ZYHUDNBSSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@@H]1OCC[N@H+](CN2C(=O)CCC2(C)C)[C@H]1C ZINC000808172201 586466453 /nfs/dbraw/zinc/46/64/53/586466453.db2.gz QTRYKAMMFMYLIB-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1OCC[N@@H+](CN2C(=O)CCC2(C)C)[C@H]1C ZINC000808172201 586466455 /nfs/dbraw/zinc/46/64/55/586466455.db2.gz QTRYKAMMFMYLIB-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCOC1CCC1 ZINC000808258270 586468678 /nfs/dbraw/zinc/46/86/78/586468678.db2.gz CEFDIUJDSDMSDC-QMMMGPOBSA-N 1 2 216.281 1.089 20 0 BDADLO COC[C@H](C)n1ccc(NCc2cn(C)c[nH+]2)n1 ZINC000808406914 586471462 /nfs/dbraw/zinc/47/14/62/586471462.db2.gz NPWNBPUBGFZPBM-JTQLQIEISA-N 1 2 249.318 1.436 20 0 BDADLO CC(F)(F)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000808463781 586473822 /nfs/dbraw/zinc/47/38/22/586473822.db2.gz WVQBMHAOGLXNOU-UHFFFAOYSA-N 1 2 232.274 1.338 20 0 BDADLO Cc1cnc(COC(=O)[C@H]2CCCC[N@H+]2C)nc1 ZINC000808519949 586477039 /nfs/dbraw/zinc/47/70/39/586477039.db2.gz HHGUOYSGYIXSFH-LLVKDONJSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cnc(COC(=O)[C@H]2CCCC[N@@H+]2C)nc1 ZINC000808519949 586477040 /nfs/dbraw/zinc/47/70/40/586477040.db2.gz HHGUOYSGYIXSFH-LLVKDONJSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)C(C)C ZINC000808706252 586483014 /nfs/dbraw/zinc/48/30/14/586483014.db2.gz ZVOQUWOBGZQTIQ-LLVKDONJSA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCC(=O)C(C)C ZINC000808706252 586483016 /nfs/dbraw/zinc/48/30/16/586483016.db2.gz ZVOQUWOBGZQTIQ-LLVKDONJSA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000808758684 586489240 /nfs/dbraw/zinc/48/92/40/586489240.db2.gz DYTXMBOGODDUPR-SNVBAGLBSA-N 1 2 249.301 1.958 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000808758684 586489241 /nfs/dbraw/zinc/48/92/41/586489241.db2.gz DYTXMBOGODDUPR-SNVBAGLBSA-N 1 2 249.301 1.958 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2ccon2)cn1C ZINC000809624468 586509379 /nfs/dbraw/zinc/50/93/79/586509379.db2.gz LBZDAGMODFBCEY-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO CC1C[NH+](Cc2cnc(C3OCCO3)s2)C1 ZINC000809657824 586511057 /nfs/dbraw/zinc/51/10/57/586511057.db2.gz SMFRMVPWOMTTNE-UHFFFAOYSA-N 1 2 240.328 1.640 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)co1 ZINC000809697134 586513460 /nfs/dbraw/zinc/51/34/60/586513460.db2.gz CEEVWJLGIKZSJM-OLZOCXBDSA-N 1 2 237.299 1.659 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)co1 ZINC000809697134 586513461 /nfs/dbraw/zinc/51/34/61/586513461.db2.gz CEEVWJLGIKZSJM-OLZOCXBDSA-N 1 2 237.299 1.659 20 0 BDADLO Cc1nonc1C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000809745427 586516812 /nfs/dbraw/zinc/51/68/12/586516812.db2.gz SXURPVAAHHAJJL-UHFFFAOYSA-N 1 2 249.318 1.688 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000809746125 586517119 /nfs/dbraw/zinc/51/71/19/586517119.db2.gz QBBQZITWNYMNQV-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000809746125 586517120 /nfs/dbraw/zinc/51/71/20/586517120.db2.gz QBBQZITWNYMNQV-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCOC[C@H]1CCO ZINC000809763998 586518719 /nfs/dbraw/zinc/51/87/19/586518719.db2.gz BZLNSKWLFUYHTG-SNVBAGLBSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1ncsc1C[N@H+]1CCOC[C@H]1CCO ZINC000809763998 586518720 /nfs/dbraw/zinc/51/87/20/586518720.db2.gz BZLNSKWLFUYHTG-SNVBAGLBSA-N 1 2 242.344 1.035 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000809952628 586525461 /nfs/dbraw/zinc/52/54/61/586525461.db2.gz BRVCUUPKYSUWIF-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000809952628 586525462 /nfs/dbraw/zinc/52/54/62/586525462.db2.gz BRVCUUPKYSUWIF-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(C)n2)CCS1 ZINC000809951061 586525950 /nfs/dbraw/zinc/52/59/50/586525950.db2.gz WTHRMBJWZBEFAP-SNVBAGLBSA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(C)n2)CCS1 ZINC000809951061 586525951 /nfs/dbraw/zinc/52/59/51/586525951.db2.gz WTHRMBJWZBEFAP-SNVBAGLBSA-N 1 2 226.349 1.143 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000810115233 586533402 /nfs/dbraw/zinc/53/34/02/586533402.db2.gz FZVYSSSRLCEBFH-ZYHUDNBSSA-N 1 2 243.347 1.469 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C(F)F ZINC000810439198 586539048 /nfs/dbraw/zinc/53/90/48/586539048.db2.gz IDZCIVJEYJVYCV-UHFFFAOYSA-N 1 2 211.171 1.538 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(CCF)CC1 ZINC000810698782 586544986 /nfs/dbraw/zinc/54/49/86/586544986.db2.gz VKIVVJXMYCZNFE-UHFFFAOYSA-N 1 2 240.278 1.646 20 0 BDADLO Cc1c[nH]nc1CN(C)Cc1[nH]cc[nH+]1 ZINC000813328790 586600491 /nfs/dbraw/zinc/60/04/91/586600491.db2.gz UZCPPFTYTIZQNR-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(F)c2)CCO1 ZINC000815165477 586672558 /nfs/dbraw/zinc/67/25/58/586672558.db2.gz CCGFORVYNCKPBI-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(F)c2)CCO1 ZINC000815165477 586672560 /nfs/dbraw/zinc/67/25/60/586672560.db2.gz CCGFORVYNCKPBI-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](C(=O)OCCn1cc[nH+]c1)C(C)(F)F ZINC000815488192 586685993 /nfs/dbraw/zinc/68/59/93/586685993.db2.gz WNKNAEQYWXBXMA-MRVPVSSYSA-N 1 2 232.230 1.718 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2conc2C)C1 ZINC000816520706 586738631 /nfs/dbraw/zinc/73/86/31/586738631.db2.gz WCFOWKSXCQEDQB-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2conc2C)C1 ZINC000816520706 586738633 /nfs/dbraw/zinc/73/86/33/586738633.db2.gz WCFOWKSXCQEDQB-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO CN1CC[C@H]([NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000816548955 586739811 /nfs/dbraw/zinc/73/98/11/586739811.db2.gz YEWUTDMMGCLNKF-QMMMGPOBSA-N 1 2 242.269 1.464 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000859824850 589064056 /nfs/dbraw/zinc/06/40/56/589064056.db2.gz FNWUSJASFCULEJ-SVNGYHJRSA-N 1 2 243.347 1.730 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)o1 ZINC000816810478 586765464 /nfs/dbraw/zinc/76/54/64/586765464.db2.gz NFAMPJBGXXTWJO-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1cccs1 ZINC000816809013 586765645 /nfs/dbraw/zinc/76/56/45/586765645.db2.gz IEKFVSUVGBLPOP-UHFFFAOYSA-N 1 2 235.312 1.373 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nccs1 ZINC000816812740 586765689 /nfs/dbraw/zinc/76/56/89/586765689.db2.gz YTNMNHMBEDMPBJ-UHFFFAOYSA-N 1 2 208.246 1.047 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1CCCCC1 ZINC000816817112 586766073 /nfs/dbraw/zinc/76/60/73/586766073.db2.gz SUHCZAQZBDOVIM-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO C[C@H]1c2cccn2CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816843528 586767823 /nfs/dbraw/zinc/76/78/23/586767823.db2.gz JXQJSQZHZHTQDM-JTQLQIEISA-N 1 2 244.298 1.357 20 0 BDADLO CONC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000816846218 586768557 /nfs/dbraw/zinc/76/85/57/586768557.db2.gz SBJKLFSBZMMWFF-NSHDSACASA-N 1 2 245.282 1.609 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816863987 586769230 /nfs/dbraw/zinc/76/92/30/586769230.db2.gz ZJAHYUCLURHDBE-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC1CCCC1 ZINC000816868022 586769236 /nfs/dbraw/zinc/76/92/36/586769236.db2.gz FHWHJEJOLSKEAM-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000816945778 586772610 /nfs/dbraw/zinc/77/26/10/586772610.db2.gz PCRIYLHJRWSUPK-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCc1cnc(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000816939313 586772801 /nfs/dbraw/zinc/77/28/01/586772801.db2.gz ZWVZXQFMAKZZQW-UHFFFAOYSA-N 1 2 236.300 1.610 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOCC1CC1 ZINC000817324855 586794331 /nfs/dbraw/zinc/79/43/31/586794331.db2.gz QZFGNAVNQLRJJY-UHFFFAOYSA-N 1 2 223.276 1.121 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCCC2=O)C[C@H](CC)O1 ZINC000817364958 586799080 /nfs/dbraw/zinc/79/90/80/586799080.db2.gz IEYISZVQSJPUDP-TXEJJXNPSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCCC2=O)C[C@H](CC)O1 ZINC000817364958 586799081 /nfs/dbraw/zinc/79/90/81/586799081.db2.gz IEYISZVQSJPUDP-TXEJJXNPSA-N 1 2 240.347 1.456 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccnc2)n1 ZINC000818116831 586874988 /nfs/dbraw/zinc/87/49/88/586874988.db2.gz QHTWAMWGZTWTOL-JTQLQIEISA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2c(C)n[nH]c2C)n1 ZINC000818222369 586879714 /nfs/dbraw/zinc/87/97/14/586879714.db2.gz YDQHGAWWJLCWQK-UHFFFAOYSA-N 1 2 248.334 1.236 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)n1 ZINC000818230236 586880746 /nfs/dbraw/zinc/88/07/46/586880746.db2.gz ONSMZFOYLKVLEM-STQMWFEESA-N 1 2 246.289 1.542 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)C(=O)[O-] ZINC000818316661 586886021 /nfs/dbraw/zinc/88/60/21/586886021.db2.gz CYSIXDODUJDMMX-LLVKDONJSA-N 1 2 247.298 1.596 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000818345271 586887351 /nfs/dbraw/zinc/88/73/51/586887351.db2.gz SPYRRRCJHZLHJP-SNVBAGLBSA-N 1 2 245.330 1.852 20 0 BDADLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)C=C(C)C)C1 ZINC000818581326 586903402 /nfs/dbraw/zinc/90/34/02/586903402.db2.gz XAFZQTSJWSYDID-MNOVXSKESA-N 1 2 249.314 1.664 20 0 BDADLO Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000819012359 586923527 /nfs/dbraw/zinc/92/35/27/586923527.db2.gz JZVXDNQIPXJLGC-NSHDSACASA-N 1 2 237.303 1.131 20 0 BDADLO Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000819012359 586923529 /nfs/dbraw/zinc/92/35/29/586923529.db2.gz JZVXDNQIPXJLGC-NSHDSACASA-N 1 2 237.303 1.131 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCCO2)c(C)c[nH+]1 ZINC000819414096 586962380 /nfs/dbraw/zinc/96/23/80/586962380.db2.gz WSDQRYDXPJVXHL-BTDICHCPSA-N 1 2 246.310 1.794 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C(F)=C2CCC2)c1 ZINC000819562031 586978333 /nfs/dbraw/zinc/97/83/33/586978333.db2.gz FEEFMCLQRKAUKN-UHFFFAOYSA-N 1 2 237.278 1.486 20 0 BDADLO CO[C@@H](C)CCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819774955 586992781 /nfs/dbraw/zinc/99/27/81/586992781.db2.gz AEOUSHNQVSCPNE-YUMQZZPRSA-N 1 2 230.333 1.409 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819781163 586993965 /nfs/dbraw/zinc/99/39/65/586993965.db2.gz MEIKJFZWDNCHOZ-XHNCKOQMSA-N 1 2 244.360 1.513 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)CC2(C)CC2)S1 ZINC000819782035 586994170 /nfs/dbraw/zinc/99/41/70/586994170.db2.gz MFZSBYAHMJWSAN-ZETCQYMHSA-N 1 2 212.318 1.784 20 0 BDADLO Cc1oc(C=O)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000820192201 587033453 /nfs/dbraw/zinc/03/34/53/587033453.db2.gz YVSCWNISIALVQB-SSDOTTSWSA-N 1 2 247.254 1.615 20 0 BDADLO C[C@@H](NC(=O)/C=C\c1cn(C)cn1)c1[nH]cc[nH+]1 ZINC000820191379 587033581 /nfs/dbraw/zinc/03/35/81/587033581.db2.gz CXNFLNRSRBVFPO-ZBJFTSOASA-N 1 2 245.286 1.034 20 0 BDADLO C[C@@H]1CC[N@H+](CCC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820238390 587037720 /nfs/dbraw/zinc/03/77/20/587037720.db2.gz OWCLCAMIDXHFAP-MNOVXSKESA-N 1 2 237.303 1.241 20 0 BDADLO C[C@@H]1CC[N@@H+](CCC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820238390 587037722 /nfs/dbraw/zinc/03/77/22/587037722.db2.gz OWCLCAMIDXHFAP-MNOVXSKESA-N 1 2 237.303 1.241 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000820238492 587037727 /nfs/dbraw/zinc/03/77/27/587037727.db2.gz QMPGVAVSQPILTL-WDEREUQCSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000820238492 587037729 /nfs/dbraw/zinc/03/77/29/587037729.db2.gz QMPGVAVSQPILTL-WDEREUQCSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246665 587037995 /nfs/dbraw/zinc/03/79/95/587037995.db2.gz ZXSYYJWFHDGHFX-CMPLNLGQSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246665 587037997 /nfs/dbraw/zinc/03/79/97/587037997.db2.gz ZXSYYJWFHDGHFX-CMPLNLGQSA-N 1 2 240.347 1.314 20 0 BDADLO CC[C@H](C)CONC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820279877 587040216 /nfs/dbraw/zinc/04/02/16/587040216.db2.gz SZUJPDURJDXGOM-PORFMDCZSA-N 1 2 237.303 1.527 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2cccn2C)[nH+]1 ZINC000820453474 587049828 /nfs/dbraw/zinc/04/98/28/587049828.db2.gz SMDRGGMXPKRHQY-UHFFFAOYSA-N 1 2 246.314 1.170 20 0 BDADLO COC[C@@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820532148 587053064 /nfs/dbraw/zinc/05/30/64/587053064.db2.gz RVOYJORLKJAZMY-JTQLQIEISA-N 1 2 245.282 1.424 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ccc(F)nc2)[nH+]1 ZINC000821032045 587089267 /nfs/dbraw/zinc/08/92/67/587089267.db2.gz PUWPNQPKSHWSDB-UHFFFAOYSA-N 1 2 248.261 1.687 20 0 BDADLO O=C(NOCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821031689 587089574 /nfs/dbraw/zinc/08/95/74/587089574.db2.gz NCWBARGHQXOAQX-PHDIDXHHSA-N 1 2 249.192 1.123 20 0 BDADLO O=C(NOCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821031689 587089576 /nfs/dbraw/zinc/08/95/76/587089576.db2.gz NCWBARGHQXOAQX-PHDIDXHHSA-N 1 2 249.192 1.123 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2CCC(=O)O2)[nH+]1 ZINC000821069598 587093377 /nfs/dbraw/zinc/09/33/77/587093377.db2.gz PKFACQFYFWYJNW-ZETCQYMHSA-N 1 2 239.300 1.165 20 0 BDADLO Cc1ncc(NC(=O)C[NH+]2CCCC2)s1 ZINC000821236148 587103189 /nfs/dbraw/zinc/10/31/89/587103189.db2.gz MMJMYCRCJRQWNZ-UHFFFAOYSA-N 1 2 225.317 1.486 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)c2ccc[nH]2)[nH+]1 ZINC000821383685 587114636 /nfs/dbraw/zinc/11/46/36/587114636.db2.gz GMBBPTVCIOHOJH-VIFPVBQESA-N 1 2 246.314 1.720 20 0 BDADLO O=C([O-])CCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000821525930 587126320 /nfs/dbraw/zinc/12/63/20/587126320.db2.gz KQCOARAPOMYWJL-UHFFFAOYSA-N 1 2 233.271 1.289 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821762356 587137100 /nfs/dbraw/zinc/13/71/00/587137100.db2.gz KIDUKMBQHLUAIH-PYIQSQQJSA-N 1 2 247.342 1.842 20 0 BDADLO O=C(NCC1CSC1)c1cc2c[nH+]ccc2[nH]1 ZINC000821928749 587147487 /nfs/dbraw/zinc/14/74/87/587147487.db2.gz LYAAUPFDNLRKJV-UHFFFAOYSA-N 1 2 247.323 1.656 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000822155205 587156819 /nfs/dbraw/zinc/15/68/19/587156819.db2.gz IAWUMKPRRPSQJH-QMMMGPOBSA-N 1 2 231.246 1.433 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822443742 587168507 /nfs/dbraw/zinc/16/85/07/587168507.db2.gz ZQVATVXJVTVLCN-KBIXYVOKSA-N 1 2 233.315 1.594 20 0 BDADLO CCS[C@H](C)c1noc([C@@H]([NH3+])COC)n1 ZINC000822870031 587190141 /nfs/dbraw/zinc/19/01/41/587190141.db2.gz QAXQGKIGAUOJIJ-RQJHMYQMSA-N 1 2 231.321 1.530 20 0 BDADLO C[C@@]1(O)C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000822924396 587193347 /nfs/dbraw/zinc/19/33/47/587193347.db2.gz KYHRBWFMVDNAOF-SWZMTVOYSA-N 1 2 245.282 1.206 20 0 BDADLO CC[C@@H](C)CONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823101811 587203060 /nfs/dbraw/zinc/20/30/60/587203060.db2.gz VUDYPWOSJRBZOH-OPRDCNLKSA-N 1 2 237.303 1.607 20 0 BDADLO CC[C@@H](C)CONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823101811 587203062 /nfs/dbraw/zinc/20/30/62/587203062.db2.gz VUDYPWOSJRBZOH-OPRDCNLKSA-N 1 2 237.303 1.607 20 0 BDADLO CCSCCCc1noc([C@@H]([NH3+])COC)n1 ZINC000823130718 587204521 /nfs/dbraw/zinc/20/45/21/587204521.db2.gz ZGZIZKSVNZBYGC-QMMMGPOBSA-N 1 2 245.348 1.402 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)[C@]2(C)C=CCC2)S1 ZINC000823307670 587215492 /nfs/dbraw/zinc/21/54/92/587215492.db2.gz VLICHXUSCLYEEY-GZMMTYOYSA-N 1 2 224.329 1.950 20 0 BDADLO C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823657526 587235015 /nfs/dbraw/zinc/23/50/15/587235015.db2.gz FTHSZAUOOBDGGQ-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H](O)C1 ZINC000824114990 587256442 /nfs/dbraw/zinc/25/64/42/587256442.db2.gz DUGJLGNAINLUNT-SNVBAGLBSA-N 1 2 245.282 1.160 20 0 BDADLO CCC(F)(F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000824256064 587263307 /nfs/dbraw/zinc/26/33/07/587263307.db2.gz DOZFXDQJPGVSPK-UHFFFAOYSA-N 1 2 232.274 1.338 20 0 BDADLO OCCC[N@H+]1CCC[C@H](NCc2ccoc2)C1 ZINC000824583506 587278087 /nfs/dbraw/zinc/27/80/87/587278087.db2.gz NQFOPQDADNPOBI-ZDUSSCGKSA-N 1 2 238.331 1.216 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)CC=CC1 ZINC000824628287 587280222 /nfs/dbraw/zinc/28/02/22/587280222.db2.gz AJWNEMFBOLBJCO-UHFFFAOYSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)CC=CC1 ZINC000824628287 587280224 /nfs/dbraw/zinc/28/02/24/587280224.db2.gz AJWNEMFBOLBJCO-UHFFFAOYSA-N 1 2 219.288 1.724 20 0 BDADLO Cc1ccnn1CC(=O)Nc1cc(C)[nH+]cc1C ZINC000860308881 589094047 /nfs/dbraw/zinc/09/40/47/589094047.db2.gz FUECXIZAYLGCLN-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO C[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824959413 587295069 /nfs/dbraw/zinc/29/50/69/587295069.db2.gz GQWGTOLRZGXRIP-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccnc(Cl)c1F ZINC000824959413 587295070 /nfs/dbraw/zinc/29/50/70/587295070.db2.gz GQWGTOLRZGXRIP-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO O=C1C[C@H](Oc2ccc([NH2+]CC3CC3)cc2)N1 ZINC000824999854 587298132 /nfs/dbraw/zinc/29/81/32/587298132.db2.gz SDOWOVJAHBBAQK-ZDUSSCGKSA-N 1 2 232.283 1.733 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)C=CCC1 ZINC000825514054 587322718 /nfs/dbraw/zinc/32/27/18/587322718.db2.gz XPQBQUCQYBJWHM-ZWNOBZJWSA-N 1 2 231.299 1.800 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)C=CCC1)c1[nH+]ccn1C ZINC000825545255 587324617 /nfs/dbraw/zinc/32/46/17/587324617.db2.gz SUKJGSUZUANJSL-ZWNOBZJWSA-N 1 2 233.315 1.954 20 0 BDADLO C/C(=C/C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)[O-] ZINC000825735122 587334756 /nfs/dbraw/zinc/33/47/56/587334756.db2.gz NLIUQNZAEQHNQZ-SGAXSIHGSA-N 1 2 249.314 1.620 20 0 BDADLO C/C(=C/C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741400 587335799 /nfs/dbraw/zinc/33/57/99/587335799.db2.gz MQPNIPTYJCXQDF-MCWZUMHDSA-N 1 2 249.314 1.551 20 0 BDADLO C/C(=C/C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741400 587335800 /nfs/dbraw/zinc/33/58/00/587335800.db2.gz MQPNIPTYJCXQDF-MCWZUMHDSA-N 1 2 249.314 1.551 20 0 BDADLO CCC[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000827095566 587369959 /nfs/dbraw/zinc/36/99/59/587369959.db2.gz IUYINBYMIPMDIH-JTQLQIEISA-N 1 2 247.298 1.225 20 0 BDADLO COC[C@H]1CCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000827416278 587380617 /nfs/dbraw/zinc/38/06/17/587380617.db2.gz QOFRZWFOOIYXJZ-BTDICHCPSA-N 1 2 249.314 1.071 20 0 BDADLO Cc1c[nH]c(CNC(=O)[C@@]2(C)C=CCC2)[nH+]1 ZINC000827582358 587389894 /nfs/dbraw/zinc/38/98/94/587389894.db2.gz HJTTYDIXSPQSJP-LBPRGKRZSA-N 1 2 219.288 1.691 20 0 BDADLO CCC[C@@H]1SCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000827924553 587410148 /nfs/dbraw/zinc/41/01/48/587410148.db2.gz VFBOLCBOGYFODO-NSHDSACASA-N 1 2 239.344 1.654 20 0 BDADLO C[S@](=O)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827978939 587412515 /nfs/dbraw/zinc/41/25/15/587412515.db2.gz DLXLJKDQMUPYAW-WBMJQRKESA-N 1 2 241.331 1.951 20 0 BDADLO C[S@](=O)CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827978939 587412516 /nfs/dbraw/zinc/41/25/16/587412516.db2.gz DLXLJKDQMUPYAW-WBMJQRKESA-N 1 2 241.331 1.951 20 0 BDADLO CCCONC(=O)N(C)CCCn1cc[nH+]c1 ZINC000828296878 587432469 /nfs/dbraw/zinc/43/24/69/587432469.db2.gz OTNHRZILTPTYTH-UHFFFAOYSA-N 1 2 240.307 1.256 20 0 BDADLO CCCONC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000828338899 587436857 /nfs/dbraw/zinc/43/68/57/587436857.db2.gz UVDSHEDOFXYCOC-IUCAKERBSA-N 1 2 238.291 1.530 20 0 BDADLO CC/C(C)=C/C(=O)NCCc1c[nH+]cn1C ZINC000828996012 587478668 /nfs/dbraw/zinc/47/86/68/587478668.db2.gz RVAYFDMUZNVABR-JXMROGBWSA-N 1 2 221.304 1.435 20 0 BDADLO CCc1nc(CNc2cc[nH+]c(C)n2)co1 ZINC000829183533 587487005 /nfs/dbraw/zinc/48/70/05/587487005.db2.gz DCCXSDGRGYHBEA-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000829258077 587490499 /nfs/dbraw/zinc/49/04/99/587490499.db2.gz DNMIZIFDVNNMDP-NXEZZACHSA-N 1 2 221.304 1.560 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829334729 587492820 /nfs/dbraw/zinc/49/28/20/587492820.db2.gz JTJMELGICZTVDC-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO CCC/C=C\C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829391893 587495445 /nfs/dbraw/zinc/49/54/45/587495445.db2.gz YRHGNQOYPNPKNZ-WAYWQWQTSA-N 1 2 248.330 1.623 20 0 BDADLO CCC/C=C\C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829391893 587495447 /nfs/dbraw/zinc/49/54/47/587495447.db2.gz YRHGNQOYPNPKNZ-WAYWQWQTSA-N 1 2 248.330 1.623 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C3(C)CCC3)cc2C1 ZINC000829442191 587497747 /nfs/dbraw/zinc/49/77/47/587497747.db2.gz QUWSGPOZZMKUOG-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C3(C)CCC3)cc2C1 ZINC000829442191 587497748 /nfs/dbraw/zinc/49/77/48/587497748.db2.gz QUWSGPOZZMKUOG-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000829630099 587506670 /nfs/dbraw/zinc/50/66/70/587506670.db2.gz AZSHKZGZZQTQRL-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000830130612 587538045 /nfs/dbraw/zinc/53/80/45/587538045.db2.gz DXYYYUQKQZJUPR-UHFFFAOYSA-N 1 2 239.319 1.366 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000830130612 587538046 /nfs/dbraw/zinc/53/80/46/587538046.db2.gz DXYYYUQKQZJUPR-UHFFFAOYSA-N 1 2 239.319 1.366 20 0 BDADLO CSC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830504871 587555004 /nfs/dbraw/zinc/55/50/04/587555004.db2.gz FQFKKKUXJLKBQY-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO CC(C)CONC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000830892945 587575711 /nfs/dbraw/zinc/57/57/11/587575711.db2.gz CMEUKOOHVSPQKI-VIFPVBQESA-N 1 2 237.303 1.218 20 0 BDADLO CC(C)CONC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000830892945 587575712 /nfs/dbraw/zinc/57/57/12/587575712.db2.gz CMEUKOOHVSPQKI-VIFPVBQESA-N 1 2 237.303 1.218 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc[nH]1 ZINC000831366867 587601292 /nfs/dbraw/zinc/60/12/92/587601292.db2.gz BMGWLULTLWLJES-MRVPVSSYSA-N 1 2 218.260 1.158 20 0 BDADLO CCON(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC000831462483 587609984 /nfs/dbraw/zinc/60/99/84/587609984.db2.gz DFKBKSAKUWYAIC-UHFFFAOYSA-N 1 2 211.265 1.061 20 0 BDADLO CCON(CC)C(=O)CCn1cc[nH+]c1 ZINC000831476082 587612107 /nfs/dbraw/zinc/61/21/07/587612107.db2.gz FESQMMDLCAOQMR-UHFFFAOYSA-N 1 2 211.265 1.073 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC12CCCCC2 ZINC000831607289 587623232 /nfs/dbraw/zinc/62/32/32/587623232.db2.gz LIHCXAHBZOTDKK-JTQLQIEISA-N 1 2 233.315 1.791 20 0 BDADLO CC1=NO[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000831607250 587623379 /nfs/dbraw/zinc/62/33/79/587623379.db2.gz KRHDCDXVTHGBKC-NXEZZACHSA-N 1 2 248.286 1.238 20 0 BDADLO O=c1[nH]nc(C[NH+]2CCCCCCCC2)[nH]1 ZINC000831936843 587637406 /nfs/dbraw/zinc/63/74/06/587637406.db2.gz IGIYAKVXHNLVSD-UHFFFAOYSA-N 1 2 224.308 1.667 20 0 BDADLO CC(C)(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832103794 587645238 /nfs/dbraw/zinc/64/52/38/587645238.db2.gz WGNGJBWBOXHFRJ-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCO[C@H]1C1CC1 ZINC000832126617 587645496 /nfs/dbraw/zinc/64/54/96/587645496.db2.gz PAYFTKGTUQEXPC-STQMWFEESA-N 1 2 249.314 1.026 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@]2(C)CCCCO2)c[nH+]1 ZINC000832487471 587662995 /nfs/dbraw/zinc/66/29/95/587662995.db2.gz DNDBOBCXJKNJHM-GFCCVEGCSA-N 1 2 237.303 1.407 20 0 BDADLO CSC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000834697873 587764489 /nfs/dbraw/zinc/76/44/89/587764489.db2.gz QXXLGXBAXXQXJD-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)/C=C(/C)CC)C1 ZINC000835319142 587796194 /nfs/dbraw/zinc/79/61/94/587796194.db2.gz GXNFBSODRZKWEK-FLIBITNWSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000835321820 587796476 /nfs/dbraw/zinc/79/64/76/587796476.db2.gz BCNGINDXTRINMJ-MWLCHTKSSA-N 1 2 222.288 1.552 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000836375384 587832073 /nfs/dbraw/zinc/83/20/73/587832073.db2.gz XJFVHEFODMTDLO-MWLCHTKSSA-N 1 2 248.330 1.816 20 0 BDADLO CC(C)=CCCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836421813 587832734 /nfs/dbraw/zinc/83/27/34/587832734.db2.gz ZNGLHNRRZGGSDZ-NSHDSACASA-N 1 2 248.330 1.983 20 0 BDADLO Cc1cc(NC(=O)NOCC2CC2)c(C)c[nH+]1 ZINC000836485600 587834132 /nfs/dbraw/zinc/83/41/32/587834132.db2.gz YEDWEIUPKXWUPH-UHFFFAOYSA-N 1 2 235.287 1.583 20 0 BDADLO Cc1cc(NC(=O)NOCCC2CC2)cc[nH+]1 ZINC000836483429 587834206 /nfs/dbraw/zinc/83/42/06/587834206.db2.gz SPYLFAWQGGPQLQ-UHFFFAOYSA-N 1 2 235.287 1.665 20 0 BDADLO Cc1cc(NC(=O)NN2CCCC2)c(C)c[nH+]1 ZINC000836484848 587834342 /nfs/dbraw/zinc/83/43/42/587834342.db2.gz IMQRLQXOMJSALC-UHFFFAOYSA-N 1 2 234.303 1.253 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836522241 587834500 /nfs/dbraw/zinc/83/45/00/587834500.db2.gz IHJGWRNHHBKCAD-VWYCJHECSA-N 1 2 248.330 1.673 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)C[C@H]1C ZINC000836519845 587834546 /nfs/dbraw/zinc/83/45/46/587834546.db2.gz WYJIZBCWCANJKQ-MXWKQRLJSA-N 1 2 248.330 1.625 20 0 BDADLO CC1(C)CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836523461 587834581 /nfs/dbraw/zinc/83/45/81/587834581.db2.gz NXCPVNJZENRYGL-SNVBAGLBSA-N 1 2 248.330 1.912 20 0 BDADLO CCC1(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)COC1 ZINC000836953371 587843488 /nfs/dbraw/zinc/84/34/88/587843488.db2.gz FDMPLXJTQZBQCY-ZJUUUORDSA-N 1 2 249.314 1.432 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cnsn2)c[nH+]1 ZINC000837102744 587853863 /nfs/dbraw/zinc/85/38/63/587853863.db2.gz BOAVTOHKCUIKGJ-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)CC(C)C)C1 ZINC000837546744 587881174 /nfs/dbraw/zinc/88/11/74/587881174.db2.gz OZNLKIRABSGYNG-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)CC(C)C)C1 ZINC000837546744 587881176 /nfs/dbraw/zinc/88/11/76/587881176.db2.gz OZNLKIRABSGYNG-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C=C2CCCC2)c1 ZINC000837717167 587892357 /nfs/dbraw/zinc/89/23/57/587892357.db2.gz LIJMLQFEOPMOCP-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000837972026 587905830 /nfs/dbraw/zinc/90/58/30/587905830.db2.gz BFZDYVLOFMHVRL-IJLUTSLNSA-N 1 2 241.331 1.296 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000837972026 587905832 /nfs/dbraw/zinc/90/58/32/587905832.db2.gz BFZDYVLOFMHVRL-IJLUTSLNSA-N 1 2 241.331 1.296 20 0 BDADLO CCCNC(=S)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000840809782 587922709 /nfs/dbraw/zinc/92/27/09/587922709.db2.gz JBBGEQQHIVHUAB-IUCAKERBSA-N 1 2 238.360 1.763 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccoc1C ZINC000840916918 587929832 /nfs/dbraw/zinc/92/98/32/587929832.db2.gz NXFITBORYIYHJR-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccoc1C ZINC000840916918 587929834 /nfs/dbraw/zinc/92/98/34/587929834.db2.gz NXFITBORYIYHJR-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000841758442 587974336 /nfs/dbraw/zinc/97/43/36/587974336.db2.gz HNUYJMWENSBNNR-UISBYWKRSA-N 1 2 221.304 1.290 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC[C@@H](C)O ZINC000842033628 587991786 /nfs/dbraw/zinc/99/17/86/587991786.db2.gz SMILCMAVDYCNQV-ZJUUUORDSA-N 1 2 232.324 1.317 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCC1CCOCC1 ZINC000842036614 587992134 /nfs/dbraw/zinc/99/21/34/587992134.db2.gz NNBXWJWEJDVESN-SECBINFHSA-N 1 2 230.308 1.336 20 0 BDADLO CC[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)OC ZINC000842047445 587992726 /nfs/dbraw/zinc/99/27/26/587992726.db2.gz NWVWEKWYLBBXEQ-BDAKNGLRSA-N 1 2 216.281 1.089 20 0 BDADLO CC[C@@H](C)CO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842657000 588049917 /nfs/dbraw/zinc/04/99/17/588049917.db2.gz QTBFFGMDPSHMQM-GHMZBOCLSA-N 1 2 244.335 1.727 20 0 BDADLO NC(COC[C@@H]1CCOC1)=[NH+]OCCC1CC1 ZINC000842660624 588050607 /nfs/dbraw/zinc/05/06/07/588050607.db2.gz JDKBTPSUTLKALD-LLVKDONJSA-N 1 2 242.319 1.338 20 0 BDADLO O=C(OCC1CN(c2cccc[nH+]2)C1)C1CC1 ZINC000842892192 588071098 /nfs/dbraw/zinc/07/10/98/588071098.db2.gz GQUXURNBUUSEAS-UHFFFAOYSA-N 1 2 232.283 1.471 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1(F)CC1 ZINC000843597140 588128035 /nfs/dbraw/zinc/12/80/35/588128035.db2.gz FMFAOKBUKLABIZ-UHFFFAOYSA-N 1 2 224.235 1.209 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CO1 ZINC000843729947 588135457 /nfs/dbraw/zinc/13/54/57/588135457.db2.gz QHCBXTUXBNOODA-NXEZZACHSA-N 1 2 245.282 1.242 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)C3(F)CC3)cn2c1 ZINC000843774259 588139144 /nfs/dbraw/zinc/13/91/44/588139144.db2.gz QMEDTBHDIWXDNQ-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1(F)CC1 ZINC000843797909 588141208 /nfs/dbraw/zinc/14/12/08/588141208.db2.gz PDFPEKXBZRMESY-UHFFFAOYSA-N 1 2 225.267 1.282 20 0 BDADLO COC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000844129136 588169410 /nfs/dbraw/zinc/16/94/10/588169410.db2.gz JGFAZBBZISICHF-UHFFFAOYSA-N 1 2 233.271 1.541 20 0 BDADLO COC(=O)CC1([NH2+]CC(F)(F)C(F)F)CC1 ZINC000844388553 588188910 /nfs/dbraw/zinc/18/89/10/588188910.db2.gz YXVLLUJVMBWZQR-UHFFFAOYSA-N 1 2 243.200 1.572 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC2(CC2(F)F)CC1 ZINC000844410840 588190791 /nfs/dbraw/zinc/19/07/91/588190791.db2.gz ZSPDUGIOGRELIA-QMMMGPOBSA-N 1 2 231.242 1.423 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCCC2=O)[C@@H](C)CO1 ZINC000844734258 588215573 /nfs/dbraw/zinc/21/55/73/588215573.db2.gz WGLQCQHUPUPPGC-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCCC2=O)[C@@H](C)CO1 ZINC000844734258 588215574 /nfs/dbraw/zinc/21/55/74/588215574.db2.gz WGLQCQHUPUPPGC-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H](CC(=O)OCc1cnn(C)c1)n1cc[nH+]c1 ZINC000845278182 588225253 /nfs/dbraw/zinc/22/52/53/588225253.db2.gz NDNJHRWUVZQSTN-SNVBAGLBSA-N 1 2 248.286 1.311 20 0 BDADLO C[C@H](CC(=O)OCC1(C)COC1)n1cc[nH+]c1 ZINC000845282116 588225358 /nfs/dbraw/zinc/22/53/58/588225358.db2.gz MMUGHVPTILNGJL-SNVBAGLBSA-N 1 2 238.287 1.414 20 0 BDADLO CCOCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283389 588225702 /nfs/dbraw/zinc/22/57/02/588225702.db2.gz WMKWZFHBWVGLOC-LLVKDONJSA-N 1 2 240.303 1.804 20 0 BDADLO C/C=C/C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000106010320 588242891 /nfs/dbraw/zinc/24/28/91/588242891.db2.gz WOOILAXUPGTCEX-DUXPYHPUSA-N 1 2 234.299 1.500 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncnc2)[C@H](C)CO1 ZINC000846043238 588254581 /nfs/dbraw/zinc/25/45/81/588254581.db2.gz JNHNPDAACILMCG-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncnc2)[C@H](C)CO1 ZINC000846043238 588254582 /nfs/dbraw/zinc/25/45/82/588254582.db2.gz JNHNPDAACILMCG-PWSUYJOCSA-N 1 2 221.304 1.476 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000846093395 588255762 /nfs/dbraw/zinc/25/57/62/588255762.db2.gz PHRAPSCXPLPVRF-VIFPVBQESA-N 1 2 214.309 1.222 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000846112680 588257390 /nfs/dbraw/zinc/25/73/90/588257390.db2.gz WQSDCOHPGJIRBB-MRVPVSSYSA-N 1 2 245.269 1.873 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000846112680 588257391 /nfs/dbraw/zinc/25/73/91/588257391.db2.gz WQSDCOHPGJIRBB-MRVPVSSYSA-N 1 2 245.269 1.873 20 0 BDADLO CC(C)(NC(=O)C1=COCCC1)c1[nH]cc[nH+]1 ZINC000846247188 588262464 /nfs/dbraw/zinc/26/24/64/588262464.db2.gz VZSIKARLKSVUDU-UHFFFAOYSA-N 1 2 235.287 1.455 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846806472 588289525 /nfs/dbraw/zinc/28/95/25/588289525.db2.gz MOZGPXVIVHRNSO-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846806472 588289526 /nfs/dbraw/zinc/28/95/26/588289526.db2.gz MOZGPXVIVHRNSO-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC1(C)[C@@H]2C[N@@H+](Cc3cnsn3)C[C@@H]21 ZINC000846805402 588289564 /nfs/dbraw/zinc/28/95/64/588289564.db2.gz FREHPTYTJWDFCK-DTORHVGOSA-N 1 2 209.318 1.626 20 0 BDADLO CC1(C)[C@@H]2C[N@H+](Cc3cnsn3)C[C@@H]21 ZINC000846805402 588289565 /nfs/dbraw/zinc/28/95/65/588289565.db2.gz FREHPTYTJWDFCK-DTORHVGOSA-N 1 2 209.318 1.626 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)CC1(Br)CC1 ZINC000846805022 588289804 /nfs/dbraw/zinc/28/98/04/588289804.db2.gz SBCVQOAQFKMMNW-UHFFFAOYSA-N 1 2 244.136 1.769 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)CC1(Br)CC1 ZINC000846805022 588289805 /nfs/dbraw/zinc/28/98/05/588289805.db2.gz SBCVQOAQFKMMNW-UHFFFAOYSA-N 1 2 244.136 1.769 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000846811663 588290497 /nfs/dbraw/zinc/29/04/97/588290497.db2.gz MLGUQXIYQXDAHA-VIFPVBQESA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC000846811663 588290498 /nfs/dbraw/zinc/29/04/98/588290498.db2.gz MLGUQXIYQXDAHA-VIFPVBQESA-N 1 2 213.306 1.149 20 0 BDADLO C[N@H+](Cc1cnsn1)C1CCC(CO)CC1 ZINC000846832852 588291477 /nfs/dbraw/zinc/29/14/77/588291477.db2.gz UWXOLNGIKKRQOL-UHFFFAOYSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@@H+](Cc1cnsn1)C1CCC(CO)CC1 ZINC000846832852 588291478 /nfs/dbraw/zinc/29/14/78/588291478.db2.gz UWXOLNGIKKRQOL-UHFFFAOYSA-N 1 2 241.360 1.521 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000846831308 588291576 /nfs/dbraw/zinc/29/15/76/588291576.db2.gz IOIICHLYQHOWPI-SECBINFHSA-N 1 2 241.316 1.066 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC000846831308 588291577 /nfs/dbraw/zinc/29/15/77/588291577.db2.gz IOIICHLYQHOWPI-SECBINFHSA-N 1 2 241.316 1.066 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@H]1CCCC[C@H]1O ZINC000846846936 588292641 /nfs/dbraw/zinc/29/26/41/588292641.db2.gz CWTMJOBQAMCTRA-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@H]1CCCC[C@H]1O ZINC000846846936 588292642 /nfs/dbraw/zinc/29/26/42/588292642.db2.gz CWTMJOBQAMCTRA-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cnsn1 ZINC000846841099 588292655 /nfs/dbraw/zinc/29/26/55/588292655.db2.gz WONPLLIXAYTJMO-NSHDSACASA-N 1 2 241.360 1.665 20 0 BDADLO C[C@@]1(CCCO)CCC[N@H+]1Cc1cnsn1 ZINC000846841099 588292656 /nfs/dbraw/zinc/29/26/56/588292656.db2.gz WONPLLIXAYTJMO-NSHDSACASA-N 1 2 241.360 1.665 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@@H]1CCCC[C@H]1O ZINC000846846934 588293055 /nfs/dbraw/zinc/29/30/55/588293055.db2.gz CWTMJOBQAMCTRA-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@@H]1CCCC[C@H]1O ZINC000846846934 588293056 /nfs/dbraw/zinc/29/30/56/588293056.db2.gz CWTMJOBQAMCTRA-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccc3nonc3c2)C1 ZINC000846880471 588295114 /nfs/dbraw/zinc/29/51/14/588295114.db2.gz UVLZNXYARGIHCL-UHFFFAOYSA-N 1 2 247.298 1.426 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnsn2)CCCO1 ZINC000846928041 588297165 /nfs/dbraw/zinc/29/71/65/588297165.db2.gz YGFAFULHTWUJBT-NSHDSACASA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnsn2)CCCO1 ZINC000846928041 588297166 /nfs/dbraw/zinc/29/71/66/588297166.db2.gz YGFAFULHTWUJBT-NSHDSACASA-N 1 2 241.360 1.785 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2cc(Cl)[nH]n2)C1 ZINC000847600816 588318331 /nfs/dbraw/zinc/31/83/31/588318331.db2.gz BEHPLYNTHYWIGP-UHFFFAOYSA-N 1 2 242.710 1.343 20 0 BDADLO CCO/C=C/C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000847702564 588327110 /nfs/dbraw/zinc/32/71/10/588327110.db2.gz HBUZSUADFXJPSW-QPJJXVBHSA-N 1 2 235.287 1.084 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000847844768 588336416 /nfs/dbraw/zinc/33/64/16/588336416.db2.gz BEPLOJCTQVQEJY-GMTAPVOTSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000847844768 588336418 /nfs/dbraw/zinc/33/64/18/588336418.db2.gz BEPLOJCTQVQEJY-GMTAPVOTSA-N 1 2 235.331 1.893 20 0 BDADLO CCON(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000848238533 588366814 /nfs/dbraw/zinc/36/68/14/588366814.db2.gz QINVTOOCWFOHIF-JTQLQIEISA-N 1 2 239.319 1.777 20 0 BDADLO CCON(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000848238533 588366815 /nfs/dbraw/zinc/36/68/15/588366815.db2.gz QINVTOOCWFOHIF-JTQLQIEISA-N 1 2 239.319 1.777 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000848387161 588375841 /nfs/dbraw/zinc/37/58/41/588375841.db2.gz LGNNMDPGHIRFCH-ZJUUUORDSA-N 1 2 237.303 1.404 20 0 BDADLO Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387312 588375856 /nfs/dbraw/zinc/37/58/56/588375856.db2.gz QDSUDDQCGHQCCA-MRVPVSSYSA-N 1 2 246.270 1.310 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nc1 ZINC000848387150 588376154 /nfs/dbraw/zinc/37/61/54/588376154.db2.gz KWBMNJOLLDUTBO-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO F[C@H]1CC[N@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848488573 588386780 /nfs/dbraw/zinc/38/67/80/588386780.db2.gz LXTLDJQZBCIUAL-NSHDSACASA-N 1 2 247.277 1.341 20 0 BDADLO F[C@H]1CC[N@@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848488573 588386783 /nfs/dbraw/zinc/38/67/83/588386783.db2.gz LXTLDJQZBCIUAL-NSHDSACASA-N 1 2 247.277 1.341 20 0 BDADLO C[C@@H]1CC[C@H]1[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000848557558 588397336 /nfs/dbraw/zinc/39/73/36/588397336.db2.gz KLQRRTINTVHMNK-OPRDCNLKSA-N 1 2 236.319 1.544 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OC[C@@H](C)O)ccn12 ZINC000848782669 588413690 /nfs/dbraw/zinc/41/36/90/588413690.db2.gz MJGWNNMCYRAQJZ-SECBINFHSA-N 1 2 234.255 1.180 20 0 BDADLO COC[C@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848783095 588413889 /nfs/dbraw/zinc/41/38/89/588413889.db2.gz RRMCFXHUCUCWDF-JTQLQIEISA-N 1 2 248.282 1.834 20 0 BDADLO FC1(F)CC12C[NH+](Cc1cncnc1)C2 ZINC000848922854 588420725 /nfs/dbraw/zinc/42/07/25/588420725.db2.gz ZVRXHOGIBZDGBB-UHFFFAOYSA-N 1 2 211.215 1.318 20 0 BDADLO CC1(C(=O)OCC[NH+]2CCOCC2)CCCC1 ZINC000849168652 588459193 /nfs/dbraw/zinc/45/91/93/588459193.db2.gz ZWDIUSGIEOBWMF-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CC(=O)[C@H](C)CCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000849731366 588491286 /nfs/dbraw/zinc/49/12/86/588491286.db2.gz BWETUGHQPAJRDA-PWSUYJOCSA-N 1 2 241.331 1.629 20 0 BDADLO CC(=O)[C@H](C)CCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000849731366 588491287 /nfs/dbraw/zinc/49/12/87/588491287.db2.gz BWETUGHQPAJRDA-PWSUYJOCSA-N 1 2 241.331 1.629 20 0 BDADLO CCC(CC)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000849735171 588491742 /nfs/dbraw/zinc/49/17/42/588491742.db2.gz RCNSAIHBKYZBHQ-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCC(CC)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000849735171 588491744 /nfs/dbraw/zinc/49/17/44/588491744.db2.gz RCNSAIHBKYZBHQ-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)[C@H](O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000849817636 588503224 /nfs/dbraw/zinc/50/32/24/588503224.db2.gz JFSVVUQBBBSMCS-GHMZBOCLSA-N 1 2 240.303 1.394 20 0 BDADLO Cc1nocc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000849817948 588503353 /nfs/dbraw/zinc/50/33/53/588503353.db2.gz MQSRJEMOXOBSNY-SECBINFHSA-N 1 2 249.270 1.874 20 0 BDADLO Cc1ccoc1CC(=O)OCCCn1cc[nH+]c1 ZINC000849869731 588506811 /nfs/dbraw/zinc/50/68/11/588506811.db2.gz IOFXOTTYDYFVLF-UHFFFAOYSA-N 1 2 248.282 1.961 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)OCC[NH+]1CCOCC1 ZINC000850069040 588517396 /nfs/dbraw/zinc/51/73/96/588517396.db2.gz JALJCVMACLPJOS-LLVKDONJSA-N 1 2 241.331 1.298 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ncccc1F ZINC000850134380 588521388 /nfs/dbraw/zinc/52/13/88/588521388.db2.gz XZQSVTRBMPLHIW-UHFFFAOYSA-N 1 2 249.245 1.354 20 0 BDADLO CCn1cnc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000850182399 588524950 /nfs/dbraw/zinc/52/49/50/588524950.db2.gz BWTAJVYUJMESLJ-UHFFFAOYSA-N 1 2 248.286 1.347 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cncc(OC)c2)n1 ZINC000850324589 588536801 /nfs/dbraw/zinc/53/68/01/588536801.db2.gz LOLJVYWKPZOUIF-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO C[C@H]1CO[C@H](C(=O)OCCCn2cc[nH+]c2)C1 ZINC000885575656 588537955 /nfs/dbraw/zinc/53/79/55/588537955.db2.gz FEXWKMRVVRKPMJ-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850372167 588541692 /nfs/dbraw/zinc/54/16/92/588541692.db2.gz QNXRQIJTMGVEMC-STQMWFEESA-N 1 2 243.310 1.688 20 0 BDADLO C[C@H]1CO[C@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000885579752 588562653 /nfs/dbraw/zinc/56/26/53/588562653.db2.gz MGROSXGHIXRIDN-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1nc(CC(=O)Nc2cc[nH+]cc2O)cs1 ZINC000109890125 588600649 /nfs/dbraw/zinc/60/06/49/588600649.db2.gz SAWPGNJOEIJZTC-UHFFFAOYSA-N 1 2 249.295 1.733 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cccc(F)n1 ZINC000851728572 588618293 /nfs/dbraw/zinc/61/82/93/588618293.db2.gz PKUAJAWNYLIKAZ-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cccc(F)n1 ZINC000851728572 588618294 /nfs/dbraw/zinc/61/82/94/588618294.db2.gz PKUAJAWNYLIKAZ-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCOC(=O)C[N@H+](CCOC(F)F)C1CC1 ZINC000851746748 588622148 /nfs/dbraw/zinc/62/21/48/588622148.db2.gz OFFZKXUTKAXELW-UHFFFAOYSA-N 1 2 237.246 1.253 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC(F)F)C1CC1 ZINC000851746748 588622149 /nfs/dbraw/zinc/62/21/49/588622149.db2.gz OFFZKXUTKAXELW-UHFFFAOYSA-N 1 2 237.246 1.253 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cnon1 ZINC000851777212 588626820 /nfs/dbraw/zinc/62/68/20/588626820.db2.gz LGJBVVWSMNYBDM-SFYZADRCSA-N 1 2 213.306 1.395 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cnon1 ZINC000851777212 588626821 /nfs/dbraw/zinc/62/68/21/588626821.db2.gz LGJBVVWSMNYBDM-SFYZADRCSA-N 1 2 213.306 1.395 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cnon2)[C@@H]1C ZINC000851777210 588627177 /nfs/dbraw/zinc/62/71/77/588627177.db2.gz LGJBVVWSMNYBDM-HTQZYQBOSA-N 1 2 213.306 1.395 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cnon2)[C@@H]1C ZINC000851777210 588627178 /nfs/dbraw/zinc/62/71/78/588627178.db2.gz LGJBVVWSMNYBDM-HTQZYQBOSA-N 1 2 213.306 1.395 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC=C(Cl)Cl)C2 ZINC000851803227 588631387 /nfs/dbraw/zinc/63/13/87/588631387.db2.gz FEWBOIJDGDFMGF-UHFFFAOYSA-N 1 2 247.129 1.721 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC=C(Cl)Cl)C2 ZINC000851803227 588631388 /nfs/dbraw/zinc/63/13/88/588631388.db2.gz FEWBOIJDGDFMGF-UHFFFAOYSA-N 1 2 247.129 1.721 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOC(F)F ZINC000851842523 588634325 /nfs/dbraw/zinc/63/43/25/588634325.db2.gz YDESKUJEXNBTTG-ZETCQYMHSA-N 1 2 225.235 1.109 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOC(F)F ZINC000851842523 588634326 /nfs/dbraw/zinc/63/43/26/588634326.db2.gz YDESKUJEXNBTTG-ZETCQYMHSA-N 1 2 225.235 1.109 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851841077 588634381 /nfs/dbraw/zinc/63/43/81/588634381.db2.gz MRZNUHNXZHEVDS-VIFPVBQESA-N 1 2 245.319 1.021 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851841077 588634382 /nfs/dbraw/zinc/63/43/82/588634382.db2.gz MRZNUHNXZHEVDS-VIFPVBQESA-N 1 2 245.319 1.021 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cccc(F)n1 ZINC000851851797 588635159 /nfs/dbraw/zinc/63/51/59/588635159.db2.gz TYMKDRFJNZHBNP-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cccc(F)n1 ZINC000851851797 588635160 /nfs/dbraw/zinc/63/51/60/588635160.db2.gz TYMKDRFJNZHBNP-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO CC(C)COC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000851874021 588638334 /nfs/dbraw/zinc/63/83/34/588638334.db2.gz XWICZIJIEZWGMB-UHFFFAOYSA-N 1 2 225.292 1.041 20 0 BDADLO COc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)on1 ZINC000851887218 588640466 /nfs/dbraw/zinc/64/04/66/588640466.db2.gz MVILNSACEAYTQA-SNVBAGLBSA-N 1 2 248.286 1.743 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1ccc2c(c1)OCO2 ZINC000851892921 588641236 /nfs/dbraw/zinc/64/12/36/588641236.db2.gz FZYRXSBRTVXQBP-MRVPVSSYSA-N 1 2 247.254 1.649 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1cnon1 ZINC000851892660 588641250 /nfs/dbraw/zinc/64/12/50/588641250.db2.gz PKUAMNKEWZGPOO-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO CO[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000851907405 588642564 /nfs/dbraw/zinc/64/25/64/588642564.db2.gz IANHBXBYGWAMCW-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO CO[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000851907405 588642565 /nfs/dbraw/zinc/64/25/65/588642565.db2.gz IANHBXBYGWAMCW-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO c1nonc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000851951958 588647480 /nfs/dbraw/zinc/64/74/80/588647480.db2.gz RGWWNEXYANEVEZ-UHFFFAOYSA-N 1 2 237.303 1.462 20 0 BDADLO c1nonc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000851951958 588647481 /nfs/dbraw/zinc/64/74/81/588647481.db2.gz RGWWNEXYANEVEZ-UHFFFAOYSA-N 1 2 237.303 1.462 20 0 BDADLO C[C@@H]1CC[N@H+](CCOC(F)F)CC[S@]1=O ZINC000851985636 588651900 /nfs/dbraw/zinc/65/19/00/588651900.db2.gz OLMSRWNZRQQIQG-ANRSDYALSA-N 1 2 241.303 1.069 20 0 BDADLO C[C@@H]1CC[N@@H+](CCOC(F)F)CC[S@]1=O ZINC000851985636 588651901 /nfs/dbraw/zinc/65/19/01/588651901.db2.gz OLMSRWNZRQQIQG-ANRSDYALSA-N 1 2 241.303 1.069 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000852015504 588655264 /nfs/dbraw/zinc/65/52/64/588655264.db2.gz LSIRYIBUCNEBHV-RKDXNWHRSA-N 1 2 233.258 1.812 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000852015504 588655265 /nfs/dbraw/zinc/65/52/65/588655265.db2.gz LSIRYIBUCNEBHV-RKDXNWHRSA-N 1 2 233.258 1.812 20 0 BDADLO Nc1cccc(C[N@@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000852016979 588655560 /nfs/dbraw/zinc/65/55/60/588655560.db2.gz PMYWYSFLMRFXKZ-NSHDSACASA-N 1 2 242.269 1.735 20 0 BDADLO Nc1cccc(C[N@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000852016979 588655561 /nfs/dbraw/zinc/65/55/61/588655561.db2.gz PMYWYSFLMRFXKZ-NSHDSACASA-N 1 2 242.269 1.735 20 0 BDADLO CO[C@H](C[NH2+][C@@]1(C)CCOC1=O)C1CCCC1 ZINC000852062308 588658668 /nfs/dbraw/zinc/65/86/68/588658668.db2.gz CBKZAARQYBDHNV-YPMHNXCESA-N 1 2 241.331 1.487 20 0 BDADLO O=CN1CCC[N@@H+](CC=C(Cl)Cl)CC1 ZINC000852073564 588659794 /nfs/dbraw/zinc/65/97/94/588659794.db2.gz UWQGPPHIFJSWAL-UHFFFAOYSA-N 1 2 237.130 1.470 20 0 BDADLO O=CN1CCC[N@H+](CC=C(Cl)Cl)CC1 ZINC000852073564 588659795 /nfs/dbraw/zinc/65/97/95/588659795.db2.gz UWQGPPHIFJSWAL-UHFFFAOYSA-N 1 2 237.130 1.470 20 0 BDADLO C[N@@H+](Cc1cnon1)C[C@@H](O)Cc1ccccc1 ZINC000852085231 588660991 /nfs/dbraw/zinc/66/09/91/588660991.db2.gz FWRXIMPXJQBLRT-ZDUSSCGKSA-N 1 2 247.298 1.105 20 0 BDADLO C[N@H+](Cc1cnon1)C[C@@H](O)Cc1ccccc1 ZINC000852085231 588660992 /nfs/dbraw/zinc/66/09/92/588660992.db2.gz FWRXIMPXJQBLRT-ZDUSSCGKSA-N 1 2 247.298 1.105 20 0 BDADLO Fc1cccc(C[N@H+](C2CC2)C2COC2)n1 ZINC000852096095 588661691 /nfs/dbraw/zinc/66/16/91/588661691.db2.gz IEGUMSJHLYLMLA-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1cccc(C[N@@H+](C2CC2)C2COC2)n1 ZINC000852096095 588661692 /nfs/dbraw/zinc/66/16/92/588661692.db2.gz IEGUMSJHLYLMLA-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1cccn1C ZINC000852162038 588668534 /nfs/dbraw/zinc/66/85/34/588668534.db2.gz VKXHAKAPZMVSIN-UHFFFAOYSA-N 1 2 247.302 1.090 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1cccn1C ZINC000852162038 588668535 /nfs/dbraw/zinc/66/85/35/588668535.db2.gz VKXHAKAPZMVSIN-UHFFFAOYSA-N 1 2 247.302 1.090 20 0 BDADLO C[N@H+](CCSC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000852187338 588670658 /nfs/dbraw/zinc/67/06/58/588670658.db2.gz PSVRFOKDUAPVAC-UHFFFAOYSA-N 1 2 245.348 1.739 20 0 BDADLO C[N@@H+](CCSC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000852187338 588670659 /nfs/dbraw/zinc/67/06/59/588670659.db2.gz PSVRFOKDUAPVAC-UHFFFAOYSA-N 1 2 245.348 1.739 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c[nH]2)n(C)n1 ZINC000852287129 588676028 /nfs/dbraw/zinc/67/60/28/588676028.db2.gz AQQPAAHPRSRNNH-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000852287129 588676029 /nfs/dbraw/zinc/67/60/29/588676029.db2.gz AQQPAAHPRSRNNH-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC(c2ccco2)CC1 ZINC000852324188 588678810 /nfs/dbraw/zinc/67/88/10/588678810.db2.gz RFJGSXQBFHDRDM-LLVKDONJSA-N 1 2 235.283 1.775 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N[C@@H]2C=CCC2)c2[nH+]ccn21 ZINC000852374890 588680527 /nfs/dbraw/zinc/68/05/27/588680527.db2.gz ZJEWOEYFVMUQKS-MXWKQRLJSA-N 1 2 246.314 1.907 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(C)nc1 ZINC000852479639 588683725 /nfs/dbraw/zinc/68/37/25/588683725.db2.gz HTWOAGBCMWNHGK-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(C)nc1 ZINC000852479639 588683726 /nfs/dbraw/zinc/68/37/26/588683726.db2.gz HTWOAGBCMWNHGK-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@H+](CCF)Cc1c(C)noc1C ZINC000852479618 588683962 /nfs/dbraw/zinc/68/39/62/588683962.db2.gz GPMVNYJUMMTHFC-UHFFFAOYSA-N 1 2 230.283 1.709 20 0 BDADLO COCC[N@@H+](CCF)Cc1c(C)noc1C ZINC000852479618 588683963 /nfs/dbraw/zinc/68/39/63/588683963.db2.gz GPMVNYJUMMTHFC-UHFFFAOYSA-N 1 2 230.283 1.709 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000852560366 588690156 /nfs/dbraw/zinc/69/01/56/588690156.db2.gz TZJZKVPGNGNURD-DTWKUNHWSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ncc(Cl)n1C ZINC000852560366 588690157 /nfs/dbraw/zinc/69/01/57/588690157.db2.gz TZJZKVPGNGNURD-DTWKUNHWSA-N 1 2 243.738 1.419 20 0 BDADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C/C=C/Cl ZINC000852632805 588693175 /nfs/dbraw/zinc/69/31/75/588693175.db2.gz IAKDXMLBOCZYJX-DUMNWFOQSA-N 1 2 247.722 1.393 20 0 BDADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C/C=C/Cl ZINC000852632805 588693176 /nfs/dbraw/zinc/69/31/76/588693176.db2.gz IAKDXMLBOCZYJX-DUMNWFOQSA-N 1 2 247.722 1.393 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664452 588694513 /nfs/dbraw/zinc/69/45/13/588694513.db2.gz GXFQRJPVMIJNQP-BDAKNGLRSA-N 1 2 225.317 1.006 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664452 588694514 /nfs/dbraw/zinc/69/45/14/588694514.db2.gz GXFQRJPVMIJNQP-BDAKNGLRSA-N 1 2 225.317 1.006 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)CC1=CCSC1 ZINC000852747835 588699466 /nfs/dbraw/zinc/69/94/66/588699466.db2.gz YPTGVTOPVMUIFS-JTQLQIEISA-N 1 2 243.372 1.933 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)CC1=CCSC1 ZINC000852747835 588699467 /nfs/dbraw/zinc/69/94/67/588699467.db2.gz YPTGVTOPVMUIFS-JTQLQIEISA-N 1 2 243.372 1.933 20 0 BDADLO Cc1nonc1C[N@H+](C)CC1=CCSC1 ZINC000852747464 588699591 /nfs/dbraw/zinc/69/95/91/588699591.db2.gz JKJZWVHNNIBCCE-UHFFFAOYSA-N 1 2 225.317 1.483 20 0 BDADLO Cc1nonc1C[N@@H+](C)CC1=CCSC1 ZINC000852747464 588699592 /nfs/dbraw/zinc/69/95/92/588699592.db2.gz JKJZWVHNNIBCCE-UHFFFAOYSA-N 1 2 225.317 1.483 20 0 BDADLO C[C@H]1C[N@H+](CCF)C[C@@](C)(C(F)F)O1 ZINC000852778831 588701877 /nfs/dbraw/zinc/70/18/77/588701877.db2.gz XACYUPAPQMTPEC-CBAPKCEASA-N 1 2 211.227 1.700 20 0 BDADLO C[C@H]1C[N@@H+](CCF)C[C@@](C)(C(F)F)O1 ZINC000852778831 588701878 /nfs/dbraw/zinc/70/18/78/588701878.db2.gz XACYUPAPQMTPEC-CBAPKCEASA-N 1 2 211.227 1.700 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@@](C)(C(F)F)O1 ZINC000852778830 588701968 /nfs/dbraw/zinc/70/19/68/588701968.db2.gz XACYUPAPQMTPEC-APPZFPTMSA-N 1 2 211.227 1.700 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@@](C)(C(F)F)O1 ZINC000852778830 588701969 /nfs/dbraw/zinc/70/19/69/588701969.db2.gz XACYUPAPQMTPEC-APPZFPTMSA-N 1 2 211.227 1.700 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000861761872 589176909 /nfs/dbraw/zinc/17/69/09/589176909.db2.gz ASZOUJRANZRQGH-XOULXFPDSA-N 1 2 247.298 1.030 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000861761872 589176910 /nfs/dbraw/zinc/17/69/10/589176910.db2.gz ASZOUJRANZRQGH-XOULXFPDSA-N 1 2 247.298 1.030 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000861761869 589177372 /nfs/dbraw/zinc/17/73/72/589177372.db2.gz ASZOUJRANZRQGH-FSIBCCDJSA-N 1 2 247.298 1.030 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000861761869 589177373 /nfs/dbraw/zinc/17/73/73/589177373.db2.gz ASZOUJRANZRQGH-FSIBCCDJSA-N 1 2 247.298 1.030 20 0 BDADLO Cc1c(F)nccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000862247666 589197083 /nfs/dbraw/zinc/19/70/83/589197083.db2.gz KVCNKCRSFVTKJI-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO CCC[C@](C)(NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000862261452 589197359 /nfs/dbraw/zinc/19/73/59/589197359.db2.gz DMUROLJOTLTVQT-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1c[nH]c(CN(C)[C@H]2CC(C)(C)OC2=O)[nH+]1 ZINC000862378027 589205931 /nfs/dbraw/zinc/20/59/31/589205931.db2.gz XHPXTFZGYRHHFI-VIFPVBQESA-N 1 2 237.303 1.244 20 0 BDADLO CC1(CO)C[NH+](Cc2ccnc(F)c2)C1 ZINC000862389170 589207495 /nfs/dbraw/zinc/20/74/95/589207495.db2.gz GVUGZJYNAJAVQW-UHFFFAOYSA-N 1 2 210.252 1.035 20 0 BDADLO COC1C[NH+](Cc2cnc3ccccc3n2)C1 ZINC000862389902 589208051 /nfs/dbraw/zinc/20/80/51/589208051.db2.gz YDNXCBONROUFQA-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862403704 589209880 /nfs/dbraw/zinc/20/98/80/589209880.db2.gz VGZDORPBQAVISY-SSDOTTSWSA-N 1 2 236.262 1.078 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccns1 ZINC000862408659 589210100 /nfs/dbraw/zinc/21/01/00/589210100.db2.gz GWINLFMHBIVVBX-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO COC(=O)[C@](C)(CCF)NCc1[nH]cc(C)[nH+]1 ZINC000862415679 589211366 /nfs/dbraw/zinc/21/13/66/589211366.db2.gz HEDFUEOFCGSDRY-NSHDSACASA-N 1 2 243.282 1.099 20 0 BDADLO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000862486642 589217516 /nfs/dbraw/zinc/21/75/16/589217516.db2.gz GJRKQFKNAZQHLI-LBPRGKRZSA-N 1 2 249.314 1.460 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(C1CC1)C1CC1 ZINC000862852709 589244180 /nfs/dbraw/zinc/24/41/80/589244180.db2.gz UEISIWBUVXRHFP-UHFFFAOYSA-N 1 2 205.261 1.106 20 0 BDADLO O=c1sccn1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304412 589277836 /nfs/dbraw/zinc/27/78/36/589277836.db2.gz BDZORLUUJRDBGK-VHSXEESVSA-N 1 2 240.328 1.121 20 0 BDADLO O=c1sccn1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863304412 589277838 /nfs/dbraw/zinc/27/78/38/589277838.db2.gz BDZORLUUJRDBGK-VHSXEESVSA-N 1 2 240.328 1.121 20 0 BDADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000863461019 589290408 /nfs/dbraw/zinc/29/04/08/589290408.db2.gz SPXQQOIMSJQSKD-KOLCDFICSA-N 1 2 219.288 1.779 20 0 BDADLO CCOC1CC(O[NH+]=C(N)[C@@H]2CCCO2)C1 ZINC000863472727 589291309 /nfs/dbraw/zinc/29/13/09/589291309.db2.gz NKWMQMGBIQQJIX-RTBKNWGFSA-N 1 2 228.292 1.231 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccns1 ZINC000863615852 589304621 /nfs/dbraw/zinc/30/46/21/589304621.db2.gz VITIMFRBXLROPN-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000863893707 589324282 /nfs/dbraw/zinc/32/42/82/589324282.db2.gz UVBIIIAPVBNWSC-NXEZZACHSA-N 1 2 245.282 1.731 20 0 BDADLO C[C@@H](O)c1cccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]1 ZINC000864090930 589343343 /nfs/dbraw/zinc/34/33/43/589343343.db2.gz LRUVUJHGJSEBRJ-IQOUGMIPSA-N 1 2 248.326 1.485 20 0 BDADLO CCCC(=O)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000864631833 589385726 /nfs/dbraw/zinc/38/57/26/589385726.db2.gz ZNZUHOBHHFXUOF-UHFFFAOYSA-N 1 2 246.270 1.137 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864720497 589391230 /nfs/dbraw/zinc/39/12/30/589391230.db2.gz QSUQCEMSPWNOFI-SECBINFHSA-N 1 2 248.317 1.878 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864720497 589391231 /nfs/dbraw/zinc/39/12/31/589391231.db2.gz QSUQCEMSPWNOFI-SECBINFHSA-N 1 2 248.317 1.878 20 0 BDADLO CC(C)CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864774287 589393661 /nfs/dbraw/zinc/39/36/61/589393661.db2.gz SZRKUIKAZAJIHU-NSHDSACASA-N 1 2 237.303 1.090 20 0 BDADLO C[C@H](c1ccco1)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864810066 589395122 /nfs/dbraw/zinc/39/51/22/589395122.db2.gz ZMUSXMLQHDYHMW-KCJUWKMLSA-N 1 2 249.270 1.256 20 0 BDADLO C[C@H](C1CC1)N(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864844309 589397336 /nfs/dbraw/zinc/39/73/36/589397336.db2.gz OUNPJIVUKIHMNQ-PELKAZGASA-N 1 2 249.314 1.233 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000120244684 589397489 /nfs/dbraw/zinc/39/74/89/589397489.db2.gz VBYPBBZKFXCBCT-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000120244684 589397490 /nfs/dbraw/zinc/39/74/90/589397490.db2.gz VBYPBBZKFXCBCT-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCCSC ZINC000120331990 589404757 /nfs/dbraw/zinc/40/47/57/589404757.db2.gz FUPMBJCVUNWYFV-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCSC ZINC000120331990 589404755 /nfs/dbraw/zinc/40/47/55/589404755.db2.gz FUPMBJCVUNWYFV-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000865172287 589412971 /nfs/dbraw/zinc/41/29/71/589412971.db2.gz TXFWCBDTKIDCAG-KRPLZJQNSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000865172287 589412972 /nfs/dbraw/zinc/41/29/72/589412972.db2.gz TXFWCBDTKIDCAG-KRPLZJQNSA-N 1 2 244.310 1.087 20 0 BDADLO O=c1ccnc(C=Cc2cn(C3CC3)c[nH+]2)[nH]1 ZINC000865220769 589414534 /nfs/dbraw/zinc/41/45/34/589414534.db2.gz PUDFRIWVQYIEFK-RJRFIUFISA-N 1 2 228.255 1.884 20 0 BDADLO O=Cc1c[nH]nc1C=Cc1cn(C2CC2)c[nH+]1 ZINC000865219529 589414649 /nfs/dbraw/zinc/41/46/49/589414649.db2.gz UAAFVKQWLNGSEM-RJRFIUFISA-N 1 2 228.255 1.924 20 0 BDADLO c1c[nH+]c(COCc2coc(C3CC3)n2)[nH]1 ZINC000865361961 589426206 /nfs/dbraw/zinc/42/62/06/589426206.db2.gz HBZDNHBXYTZQHD-UHFFFAOYSA-N 1 2 219.244 1.992 20 0 BDADLO CCNC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374734 589428264 /nfs/dbraw/zinc/42/82/64/589428264.db2.gz JRWXKQDTABKQRW-UHFFFAOYSA-N 1 2 209.293 1.317 20 0 BDADLO C[C@@H](O)CN(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865466148 589438280 /nfs/dbraw/zinc/43/82/80/589438280.db2.gz QSNADRKIOULNJF-ZCFIWIBFSA-N 1 2 240.694 1.380 20 0 BDADLO Fc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000865509119 589442294 /nfs/dbraw/zinc/44/22/94/589442294.db2.gz OVCJAYCBOVDXCP-SNVBAGLBSA-N 1 2 247.277 1.654 20 0 BDADLO Cc1cnc(F)c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000865598887 589449667 /nfs/dbraw/zinc/44/96/67/589449667.db2.gz PDHKESZZQFKWKS-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO Cc1cccc(C)c1CNc1nc(C)[nH+]c(N)n1 ZINC000865621144 589452315 /nfs/dbraw/zinc/45/23/15/589452315.db2.gz JZTVDIIASHAGLV-UHFFFAOYSA-N 1 2 243.314 1.991 20 0 BDADLO Cc1cccc(C)c1CNc1nc(N)nc(C)[nH+]1 ZINC000865621144 589452316 /nfs/dbraw/zinc/45/23/16/589452316.db2.gz JZTVDIIASHAGLV-UHFFFAOYSA-N 1 2 243.314 1.991 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccc[nH]2)nc(N)[nH+]1 ZINC000865648026 589454123 /nfs/dbraw/zinc/45/41/23/589454123.db2.gz QSGRNRRUUMIYDE-LURJTMIESA-N 1 2 218.264 1.263 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)c2ccc[nH]2)[nH+]1 ZINC000865648026 589454124 /nfs/dbraw/zinc/45/41/24/589454124.db2.gz QSGRNRRUUMIYDE-LURJTMIESA-N 1 2 218.264 1.263 20 0 BDADLO Nc1nc(NCCF)nc(C2CCCC2)[nH+]1 ZINC000865752524 589460863 /nfs/dbraw/zinc/46/08/63/589460863.db2.gz YNJDLCGTNBJRQJ-UHFFFAOYSA-N 1 2 225.271 1.493 20 0 BDADLO Nc1nc(NCCF)[nH+]c(C2CCCC2)n1 ZINC000865752524 589460864 /nfs/dbraw/zinc/46/08/64/589460864.db2.gz YNJDLCGTNBJRQJ-UHFFFAOYSA-N 1 2 225.271 1.493 20 0 BDADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccnn1C ZINC000865837938 589464198 /nfs/dbraw/zinc/46/41/98/589464198.db2.gz NGEHHYIGMZNAJY-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@@H](O)[C@H]2C)[nH+]c1 ZINC000865861217 589465690 /nfs/dbraw/zinc/46/56/90/589465690.db2.gz KYLLHXYTFNIYBV-WCABBAIRSA-N 1 2 222.288 1.094 20 0 BDADLO C[C@H](O)c1ccc(NC[C@@]2(C)CCC(=O)N2)[nH+]c1 ZINC000865866145 589465909 /nfs/dbraw/zinc/46/59/09/589465909.db2.gz GDHCFQNPCQWKSG-TVQRCGJNSA-N 1 2 249.314 1.216 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866042637 589473490 /nfs/dbraw/zinc/47/34/90/589473490.db2.gz CJEZNMAGHKOUND-BSFRTMCYSA-N 1 2 246.310 1.926 20 0 BDADLO CO[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]cn2)C1 ZINC000866074049 589475006 /nfs/dbraw/zinc/47/50/06/589475006.db2.gz XVYHXNUGCHRGOI-MNOVXSKESA-N 1 2 221.304 1.789 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000866097413 589475818 /nfs/dbraw/zinc/47/58/18/589475818.db2.gz JVIMJOIUCTXNQN-ADEWGFFLSA-N 1 2 249.314 1.234 20 0 BDADLO CS[C@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000866103058 589476320 /nfs/dbraw/zinc/47/63/20/589476320.db2.gz WUPQAJIIMKVVBN-LJGSYFOKSA-N 1 2 225.321 1.068 20 0 BDADLO CS[C@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000866103058 589476321 /nfs/dbraw/zinc/47/63/21/589476321.db2.gz WUPQAJIIMKVVBN-LJGSYFOKSA-N 1 2 225.321 1.068 20 0 BDADLO CC(C)c1nc(N2CCCN(C=O)CC2)cc[nH+]1 ZINC000866126979 589477861 /nfs/dbraw/zinc/47/78/61/589477861.db2.gz NYMGSOASOVOLRR-UHFFFAOYSA-N 1 2 248.330 1.269 20 0 BDADLO Cn1c[nH+]cc1CNc1ncc(C(F)F)cn1 ZINC000866309359 589485783 /nfs/dbraw/zinc/48/57/83/589485783.db2.gz OKQHEUJYZQIANG-UHFFFAOYSA-N 1 2 239.229 1.760 20 0 BDADLO COC[C@H](C)OC(=O)N(C)Cc1[nH+]ccn1C ZINC000866424592 589492238 /nfs/dbraw/zinc/49/22/38/589492238.db2.gz LGMWCBIVKMHZFQ-VIFPVBQESA-N 1 2 241.291 1.023 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccn(C)n1 ZINC000866613641 589504766 /nfs/dbraw/zinc/50/47/66/589504766.db2.gz ISSIXEUEOSOINQ-UWVGGRQHSA-N 1 2 233.319 1.565 20 0 BDADLO COC[C@H](C)OC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000867533645 589524769 /nfs/dbraw/zinc/52/47/69/589524769.db2.gz OSYRXUBWNDOAKD-DTWKUNHWSA-N 1 2 241.291 1.242 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)OC1CCOCC1 ZINC000867756638 589533083 /nfs/dbraw/zinc/53/30/83/589533083.db2.gz LWNKZSZOFBUAKL-UHFFFAOYSA-N 1 2 239.275 1.157 20 0 BDADLO O=C(NCCF)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000868000429 589543630 /nfs/dbraw/zinc/54/36/30/589543630.db2.gz PYVUBBFQPPAHCX-MRVPVSSYSA-N 1 2 238.253 1.049 20 0 BDADLO O=C(NCCF)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000868000429 589543631 /nfs/dbraw/zinc/54/36/31/589543631.db2.gz PYVUBBFQPPAHCX-MRVPVSSYSA-N 1 2 238.253 1.049 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)CC1OCCO1 ZINC000122191656 589561379 /nfs/dbraw/zinc/56/13/79/589561379.db2.gz YUPLTLXZKDRTPJ-UHFFFAOYSA-N 1 2 226.276 1.096 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)CC1OCCO1 ZINC000122191656 589561380 /nfs/dbraw/zinc/56/13/80/589561380.db2.gz YUPLTLXZKDRTPJ-UHFFFAOYSA-N 1 2 226.276 1.096 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC(C2CC2)CC1 ZINC000868516587 589561803 /nfs/dbraw/zinc/56/18/03/589561803.db2.gz CNEXTGUETAEQCE-LBPRGKRZSA-N 1 2 249.314 1.092 20 0 BDADLO COC/C=C\C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000868741788 589575215 /nfs/dbraw/zinc/57/52/15/589575215.db2.gz TULZLQYSQOPAIK-RWCMCFKCSA-N 1 2 235.287 1.208 20 0 BDADLO CO[C@@H](C)COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000122464435 589592204 /nfs/dbraw/zinc/59/22/04/589592204.db2.gz BOEHGMCIVUYROZ-VHSXEESVSA-N 1 2 247.360 1.002 20 0 BDADLO CCCNc1cc(NCC2(CO)CC2)nc[nH+]1 ZINC000122802341 589633388 /nfs/dbraw/zinc/63/33/88/589633388.db2.gz MBAGIYSJPVKQEW-UHFFFAOYSA-N 1 2 236.319 1.483 20 0 BDADLO CCCNc1cc(NCC2(CO)CC2)[nH+]cn1 ZINC000122802341 589633390 /nfs/dbraw/zinc/63/33/90/589633390.db2.gz MBAGIYSJPVKQEW-UHFFFAOYSA-N 1 2 236.319 1.483 20 0 BDADLO COC/C=C/C(=O)OCCCc1[nH+]ccn1C ZINC000870304364 589657253 /nfs/dbraw/zinc/65/72/53/589657253.db2.gz RZSRIQVDAYAUSH-GQCTYLIASA-N 1 2 238.287 1.099 20 0 BDADLO CCOC(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000870329042 589658733 /nfs/dbraw/zinc/65/87/33/589658733.db2.gz FAKFYEOJORRXLT-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO CCOC(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000870329042 589658735 /nfs/dbraw/zinc/65/87/35/589658735.db2.gz FAKFYEOJORRXLT-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO Cc1conc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000870331504 589659239 /nfs/dbraw/zinc/65/92/39/589659239.db2.gz RRTBXJCHQBZXDE-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO Cc1conc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000870331504 589659238 /nfs/dbraw/zinc/65/92/38/589659238.db2.gz RRTBXJCHQBZXDE-SECBINFHSA-N 1 2 242.250 1.184 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000871092077 589724148 /nfs/dbraw/zinc/72/41/48/589724148.db2.gz HYHSQMNHUCGJJI-ZKCHVHJHSA-N 1 2 225.317 1.342 20 0 BDADLO C/C=C/C[S@@](=O)Cc1[nH+]ccn1CC(F)F ZINC000871607027 589775168 /nfs/dbraw/zinc/77/51/68/589775168.db2.gz VOUXHMXOLGVEMM-WOMSROEHSA-N 1 2 248.298 1.973 20 0 BDADLO C[C@H]1OCC[C@H]1CO[NH+]=C(N)c1ccccc1 ZINC000871718873 589797632 /nfs/dbraw/zinc/79/76/32/589797632.db2.gz NZIVEEXFQVWTQD-PWSUYJOCSA-N 1 2 234.299 1.958 20 0 BDADLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccccc1 ZINC000871718871 589797676 /nfs/dbraw/zinc/79/76/76/589797676.db2.gz NZIVEEXFQVWTQD-CMPLNLGQSA-N 1 2 234.299 1.958 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)C(=O)CNc1cccc[nH+]1 ZINC000889324184 589798950 /nfs/dbraw/zinc/79/89/50/589798950.db2.gz GPJGFKCOADUPBW-GHMZBOCLSA-N 1 2 249.314 1.129 20 0 BDADLO NC(COC1CCC1)=[NH+]OCCC1CC1 ZINC000871778896 589814883 /nfs/dbraw/zinc/81/48/83/589814883.db2.gz WXFXCSYGDMPWSW-UHFFFAOYSA-N 1 2 212.293 1.854 20 0 BDADLO Cc1ccccc1[C@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000871985393 589853435 /nfs/dbraw/zinc/85/34/35/589853435.db2.gz OLNUXLQGEKUIKN-CQSZACIVSA-N 1 2 247.338 1.893 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000872134901 589878283 /nfs/dbraw/zinc/87/82/83/589878283.db2.gz ACODMBBMXPCSOP-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000872134932 589878532 /nfs/dbraw/zinc/87/85/32/589878532.db2.gz ACODMBBMXPCSOP-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO Cc1nonc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000872136331 589878747 /nfs/dbraw/zinc/87/87/47/589878747.db2.gz MNCYSVDHULPVNQ-SNVBAGLBSA-N 1 2 247.302 1.279 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]23CCC[C@H]2OCC3)c[nH+]1 ZINC000872273054 589903714 /nfs/dbraw/zinc/90/37/14/589903714.db2.gz NORMSLYBXUZSSE-PWSUYJOCSA-N 1 2 235.287 1.160 20 0 BDADLO CN1CCN(C(=O)C2CCC2)Cc2ccc[nH+]c21 ZINC000872295162 589907141 /nfs/dbraw/zinc/90/71/41/589907141.db2.gz OXUDMLMOAMHBKG-UHFFFAOYSA-N 1 2 245.326 1.660 20 0 BDADLO CN1CCN(C(=O)C2(F)CC2)Cc2ccc[nH+]c21 ZINC000872311192 589909241 /nfs/dbraw/zinc/90/92/41/589909241.db2.gz CURICJURJGGIHH-UHFFFAOYSA-N 1 2 249.289 1.362 20 0 BDADLO CCc1nc(C[NH2+][C@]23CCC[C@H]2OCC3)no1 ZINC000872311811 589909453 /nfs/dbraw/zinc/90/94/53/589909453.db2.gz BUYWTPBCTVNDNX-SKDRFNHKSA-N 1 2 237.303 1.433 20 0 BDADLO CC(=O)C1CCN(c2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000872666977 589960014 /nfs/dbraw/zinc/96/00/14/589960014.db2.gz LHMMKWHHAANAKU-NSHDSACASA-N 1 2 248.326 1.940 20 0 BDADLO CC(C)Cc1cc(NC[C@H]2C[C@H](O)C2)nc[nH+]1 ZINC000872718784 589965204 /nfs/dbraw/zinc/96/52/04/589965204.db2.gz GVUPRZYBHRQZOE-UMSPYCQHSA-N 1 2 235.331 1.858 20 0 BDADLO O=C(N[C@H]1CC12CCC2)N[C@@H]1CCn2cc[nH+]c21 ZINC000873026640 589980249 /nfs/dbraw/zinc/98/02/49/589980249.db2.gz JIQGZQYZTKUYAE-ZJUUUORDSA-N 1 2 246.314 1.570 20 0 BDADLO CN(C)c1ccc([NH2+][C@@H]2CCNC(=O)CC2)cc1 ZINC000873081374 589983586 /nfs/dbraw/zinc/98/35/86/589983586.db2.gz CVEKYBRAUDLGEO-LBPRGKRZSA-N 1 2 247.342 1.833 20 0 BDADLO C[NH+](C)c1ccc(N[C@@H]2CCNC(=O)CC2)cc1 ZINC000873081374 589983588 /nfs/dbraw/zinc/98/35/88/589983588.db2.gz CVEKYBRAUDLGEO-LBPRGKRZSA-N 1 2 247.342 1.833 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc(N)cn1)c1ccccn1 ZINC000873211172 589996224 /nfs/dbraw/zinc/99/62/24/589996224.db2.gz JDHRLTDMACNVIA-SECBINFHSA-N 1 2 229.287 1.305 20 0 BDADLO CC[C@H](OC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)=O ZINC000873385383 590035876 /nfs/dbraw/zinc/03/58/76/590035876.db2.gz VAGQVVGVFBJOGY-FOGDFJRCSA-N 1 2 241.331 1.770 20 0 BDADLO CCC[C@H](CC)C(=O)OCC[NH+]1CCOCC1 ZINC000873421757 590042459 /nfs/dbraw/zinc/04/24/59/590042459.db2.gz SWTCRGFPNCXXHL-LBPRGKRZSA-N 1 2 243.347 1.688 20 0 BDADLO CC(C)CONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000124537351 590047913 /nfs/dbraw/zinc/04/79/13/590047913.db2.gz WXCQEYWBRBGEBO-SNVBAGLBSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)no1 ZINC000873843742 590074731 /nfs/dbraw/zinc/07/47/31/590074731.db2.gz ZOPKLWTTZDOIQU-NSHDSACASA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)no1 ZINC000873843742 590074734 /nfs/dbraw/zinc/07/47/34/590074734.db2.gz ZOPKLWTTZDOIQU-NSHDSACASA-N 1 2 249.314 1.938 20 0 BDADLO COc1ccccc1OC(=O)C[NH+]1CCCC1 ZINC000873852414 590074869 /nfs/dbraw/zinc/07/48/69/590074869.db2.gz ZFRFFOXALGEDMA-UHFFFAOYSA-N 1 2 235.283 1.696 20 0 BDADLO C[C@@H](NCc1cscn1)c1[nH]cc[nH+]1 ZINC000124765142 590084363 /nfs/dbraw/zinc/08/43/63/590084363.db2.gz SVUXYPIXHATJRR-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ncccc2C)[nH+]1 ZINC000874065681 590089546 /nfs/dbraw/zinc/08/95/46/590089546.db2.gz ZXMPHHIVVRCWGX-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO C[C@H](O)c1ccc(N2CCC[C@@H](O)C2)[nH+]c1 ZINC000124928388 590102644 /nfs/dbraw/zinc/10/26/44/590102644.db2.gz CFSLYOCZYDMGLO-GXSJLCMTSA-N 1 2 222.288 1.096 20 0 BDADLO CCC[C@@H](CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000874456297 590112927 /nfs/dbraw/zinc/11/29/27/590112927.db2.gz FIBBZOGUJRNGJY-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO COC1CN(C(=O)c2ccn3cc(C)[nH+]c3c2)C1 ZINC000874461417 590113063 /nfs/dbraw/zinc/11/30/63/590113063.db2.gz INCZGPIGJUGVEC-UHFFFAOYSA-N 1 2 245.282 1.114 20 0 BDADLO CCn1ncc(NC(=O)Cc2[nH]cc[nH+]2)c1C ZINC000874814473 590140171 /nfs/dbraw/zinc/14/01/71/590140171.db2.gz LEKMHTOOUWFYSI-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO Cn1cnn(C[N@H+](C)[C@H]2CCSC2)c1=S ZINC000125203530 590155555 /nfs/dbraw/zinc/15/55/55/590155555.db2.gz YUEMEXUWOWAUIB-QMMMGPOBSA-N 1 2 244.389 1.346 20 0 BDADLO Cn1cnn(C[N@@H+](C)[C@H]2CCSC2)c1=S ZINC000125203530 590155557 /nfs/dbraw/zinc/15/55/57/590155557.db2.gz YUEMEXUWOWAUIB-QMMMGPOBSA-N 1 2 244.389 1.346 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000875519232 590164879 /nfs/dbraw/zinc/16/48/79/590164879.db2.gz ZLYQTFYKOSHJLT-MXWKQRLJSA-N 1 2 248.330 1.296 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875584309 590165952 /nfs/dbraw/zinc/16/59/52/590165952.db2.gz ZVGDPVGSQCPTCV-GXSJLCMTSA-N 1 2 248.330 1.296 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC2(CC2)C1 ZINC000888693871 590184454 /nfs/dbraw/zinc/18/44/54/590184454.db2.gz KUPYGRYUJFGPFM-JTQLQIEISA-N 1 2 233.315 1.791 20 0 BDADLO C[C@@H]1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)CO1 ZINC000888719770 590195998 /nfs/dbraw/zinc/19/59/98/590195998.db2.gz PGNQBFMNFLRRBZ-TTXORMCVSA-N 1 2 249.314 1.026 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1nc(Cl)cs1 ZINC000876683452 590230796 /nfs/dbraw/zinc/23/07/96/590230796.db2.gz BVPMFCHVKPBADM-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1nc(Cl)cs1 ZINC000876683452 590230797 /nfs/dbraw/zinc/23/07/97/590230797.db2.gz BVPMFCHVKPBADM-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nc(Cl)cs1 ZINC000876746729 590237448 /nfs/dbraw/zinc/23/74/48/590237448.db2.gz VFNUDILEADEIEU-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nc(Cl)cs1 ZINC000876746729 590237449 /nfs/dbraw/zinc/23/74/49/590237449.db2.gz VFNUDILEADEIEU-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccns1 ZINC000877432059 590326029 /nfs/dbraw/zinc/32/60/29/590326029.db2.gz ANFZYDWFRNFTGG-NSHDSACASA-N 1 2 238.312 1.425 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccns1 ZINC000877432059 590326032 /nfs/dbraw/zinc/32/60/32/590326032.db2.gz ANFZYDWFRNFTGG-NSHDSACASA-N 1 2 238.312 1.425 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000877468062 590333967 /nfs/dbraw/zinc/33/39/67/590333967.db2.gz XVPOUSNWYANCKY-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(Cl)cs1 ZINC000877468062 590333970 /nfs/dbraw/zinc/33/39/70/590333970.db2.gz XVPOUSNWYANCKY-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccc(F)c1N ZINC000877526788 590347813 /nfs/dbraw/zinc/34/78/13/590347813.db2.gz LCQKNMUBDFKFSJ-UHFFFAOYSA-N 1 2 236.250 1.389 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+]Cc1cc(C3CC3)no1)CC2 ZINC000877556976 590357623 /nfs/dbraw/zinc/35/76/23/590357623.db2.gz LTFAYIYTBLPAHV-NSHDSACASA-N 1 2 244.298 1.983 20 0 BDADLO c1cn2c([nH+]1)[C@@H](NCc1cc(C3CC3)no1)CC2 ZINC000877556976 590357624 /nfs/dbraw/zinc/35/76/24/590357624.db2.gz LTFAYIYTBLPAHV-NSHDSACASA-N 1 2 244.298 1.983 20 0 BDADLO CC[C@H]1C[C@H](C[N@@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632635 590378713 /nfs/dbraw/zinc/37/87/13/590378713.db2.gz ICNCJPZOCCSBIB-YPMHNXCESA-N 1 2 249.358 1.941 20 0 BDADLO CC[C@H]1C[C@H](C[N@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632635 590378715 /nfs/dbraw/zinc/37/87/15/590378715.db2.gz ICNCJPZOCCSBIB-YPMHNXCESA-N 1 2 249.358 1.941 20 0 BDADLO C[C@H](CCc1cccnc1)[NH2+]Cc1cn[nH]n1 ZINC000877648366 590384489 /nfs/dbraw/zinc/38/44/89/590384489.db2.gz FJQXRQGLSVSSGU-SNVBAGLBSA-N 1 2 231.303 1.311 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nn1 ZINC000877692824 590393039 /nfs/dbraw/zinc/39/30/39/590393039.db2.gz VWLNOSCWPSQDIT-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nn1 ZINC000877692824 590393042 /nfs/dbraw/zinc/39/30/42/590393042.db2.gz VWLNOSCWPSQDIT-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO COC(=O)[C@@H](Cc1cncs1)[NH2+]CC(C)C ZINC000877801962 590425081 /nfs/dbraw/zinc/42/50/81/590425081.db2.gz PZFIFFGLDODZNM-SNVBAGLBSA-N 1 2 242.344 1.473 20 0 BDADLO Cc1ccc2c(c1)C(=O)N[C@@H](c1c[nH]c[nH+]1)N2 ZINC000877861095 590433103 /nfs/dbraw/zinc/43/31/03/590433103.db2.gz FSRPIVALSNGPLP-NSHDSACASA-N 1 2 228.255 1.572 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000877958467 590457406 /nfs/dbraw/zinc/45/74/06/590457406.db2.gz VKZICFJCQXEAQK-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000877958467 590457408 /nfs/dbraw/zinc/45/74/08/590457408.db2.gz VKZICFJCQXEAQK-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nocc1C ZINC000877964280 590459896 /nfs/dbraw/zinc/45/98/96/590459896.db2.gz PDRTZADKTJDGTN-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nocc1C ZINC000877964280 590459899 /nfs/dbraw/zinc/45/98/99/590459899.db2.gz PDRTZADKTJDGTN-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878053499 590483297 /nfs/dbraw/zinc/48/32/97/590483297.db2.gz GYBGBKYHSNLXNJ-QMMMGPOBSA-N 1 2 235.205 1.865 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878053499 590483300 /nfs/dbraw/zinc/48/33/00/590483300.db2.gz GYBGBKYHSNLXNJ-QMMMGPOBSA-N 1 2 235.205 1.865 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nocc1C ZINC000878086154 590489547 /nfs/dbraw/zinc/48/95/47/590489547.db2.gz VBOXSETWAGJGSC-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO CCOCC[N@H+](CC)Cc1nocc1C ZINC000878086154 590489545 /nfs/dbraw/zinc/48/95/45/590489545.db2.gz VBOXSETWAGJGSC-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO CN1CC[N@H+](CC[C@H]2CCCC2(F)F)CC1=O ZINC000878124687 590501409 /nfs/dbraw/zinc/50/14/09/590501409.db2.gz HDCWTSHSIWNSSS-SNVBAGLBSA-N 1 2 246.301 1.586 20 0 BDADLO CN1CC[N@@H+](CC[C@H]2CCCC2(F)F)CC1=O ZINC000878124687 590501410 /nfs/dbraw/zinc/50/14/10/590501410.db2.gz HDCWTSHSIWNSSS-SNVBAGLBSA-N 1 2 246.301 1.586 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000878166420 590513215 /nfs/dbraw/zinc/51/32/15/590513215.db2.gz UQKGRCVFWFAQKB-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000878166420 590513217 /nfs/dbraw/zinc/51/32/17/590513217.db2.gz UQKGRCVFWFAQKB-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CC(C)[N@@H+](CC(=O)N=S(C)(C)=O)CC1CC1 ZINC000878210425 590524707 /nfs/dbraw/zinc/52/47/07/590524707.db2.gz QWGXKPAGPAUNCY-UHFFFAOYSA-N 1 2 246.376 1.361 20 0 BDADLO CC(C)[N@H+](CC(=O)N=S(C)(C)=O)CC1CC1 ZINC000878210425 590524709 /nfs/dbraw/zinc/52/47/09/590524709.db2.gz QWGXKPAGPAUNCY-UHFFFAOYSA-N 1 2 246.376 1.361 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000878303476 590538756 /nfs/dbraw/zinc/53/87/56/590538756.db2.gz SFVUGPFYALAEFC-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2c(F)cccc2C1 ZINC000878303476 590538758 /nfs/dbraw/zinc/53/87/58/590538758.db2.gz SFVUGPFYALAEFC-UHFFFAOYSA-N 1 2 247.317 1.987 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)CCN1C ZINC000878315830 590541854 /nfs/dbraw/zinc/54/18/54/590541854.db2.gz CPVIQHPSJFWYQQ-SECBINFHSA-N 1 2 211.334 1.279 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)CCN1C ZINC000878315830 590541855 /nfs/dbraw/zinc/54/18/55/590541855.db2.gz CPVIQHPSJFWYQQ-SECBINFHSA-N 1 2 211.334 1.279 20 0 BDADLO C=C/C=C/CC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000878334215 590548558 /nfs/dbraw/zinc/54/85/58/590548558.db2.gz RHNZHHSCQPHCBD-ITKZLYELSA-N 1 2 225.288 1.040 20 0 BDADLO CCN(C#N)CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000878338568 590550459 /nfs/dbraw/zinc/55/04/59/590550459.db2.gz YHHBMNCLCFDLSS-NSHDSACASA-N 1 2 233.319 1.350 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000878338568 590550460 /nfs/dbraw/zinc/55/04/60/590550460.db2.gz YHHBMNCLCFDLSS-NSHDSACASA-N 1 2 233.319 1.350 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000878338568 590550461 /nfs/dbraw/zinc/55/04/61/590550461.db2.gz YHHBMNCLCFDLSS-NSHDSACASA-N 1 2 233.319 1.350 20 0 BDADLO FC(F)Cn1cc[nH+]c1CN1CC=CCC1 ZINC000878383708 590557435 /nfs/dbraw/zinc/55/74/35/590557435.db2.gz CKEAZXDGCQFSFK-UHFFFAOYSA-N 1 2 227.258 1.910 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@H](O)C(C)C)C(C)C ZINC000878415195 590562460 /nfs/dbraw/zinc/56/24/60/590562460.db2.gz RJGUCWSYFFOPOB-WDEREUQCSA-N 1 2 231.336 1.181 20 0 BDADLO Cc1conc1C[NH2+][C@H](CCO)c1ccco1 ZINC000878440138 590568631 /nfs/dbraw/zinc/56/86/31/590568631.db2.gz DRMZHUGSZGSJOV-SNVBAGLBSA-N 1 2 236.271 1.789 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000878458714 590570692 /nfs/dbraw/zinc/57/06/92/590570692.db2.gz SYAKWOVJFKHJCD-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000878458714 590570694 /nfs/dbraw/zinc/57/06/94/590570694.db2.gz SYAKWOVJFKHJCD-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000878545922 590586797 /nfs/dbraw/zinc/58/67/97/590586797.db2.gz FCINHYQBQARBNB-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000878545922 590586798 /nfs/dbraw/zinc/58/67/98/590586798.db2.gz FCINHYQBQARBNB-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878536759 590588643 /nfs/dbraw/zinc/58/86/43/590588643.db2.gz BRBMRKQCCKZIJL-WYUUTHIRSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878536759 590588644 /nfs/dbraw/zinc/58/86/44/590588644.db2.gz BRBMRKQCCKZIJL-WYUUTHIRSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878545620 590590151 /nfs/dbraw/zinc/59/01/51/590590151.db2.gz BRBMRKQCCKZIJL-USZNOCQGSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878545620 590590152 /nfs/dbraw/zinc/59/01/52/590590152.db2.gz BRBMRKQCCKZIJL-USZNOCQGSA-N 1 2 241.331 1.437 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000878549479 590590403 /nfs/dbraw/zinc/59/04/03/590590403.db2.gz LCOSHDPFICTFMG-BDAKNGLRSA-N 1 2 248.273 1.462 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000878549479 590590405 /nfs/dbraw/zinc/59/04/05/590590405.db2.gz LCOSHDPFICTFMG-BDAKNGLRSA-N 1 2 248.273 1.462 20 0 BDADLO CC[C@H](C)N1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC000878684712 590609562 /nfs/dbraw/zinc/60/95/62/590609562.db2.gz YMRWCVCIXYZHGG-KBPBESRZSA-N 1 2 242.407 1.810 20 0 BDADLO C=C/C=C\CC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000878698060 590610410 /nfs/dbraw/zinc/61/04/10/590610410.db2.gz OHEUBVRRDRQFRA-WSROAFLRSA-N 1 2 241.331 1.677 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](C)C(C)(C)C ZINC000878700882 590612095 /nfs/dbraw/zinc/61/20/95/590612095.db2.gz VUVWIJFQMVWEIB-BXKDBHETSA-N 1 2 231.336 1.182 20 0 BDADLO Cc1conc1C[N@H+]1CCCc2c(cnn2C)C1 ZINC000878708664 590613626 /nfs/dbraw/zinc/61/36/26/590613626.db2.gz VNNCAXUICUNYAX-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO Cc1conc1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000878708664 590613628 /nfs/dbraw/zinc/61/36/28/590613628.db2.gz VNNCAXUICUNYAX-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000878719731 590615710 /nfs/dbraw/zinc/61/57/10/590615710.db2.gz BIMZWTLAVKZINQ-NSHDSACASA-N 1 2 249.314 1.262 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000878719731 590615711 /nfs/dbraw/zinc/61/57/11/590615711.db2.gz BIMZWTLAVKZINQ-NSHDSACASA-N 1 2 249.314 1.262 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878792391 590623339 /nfs/dbraw/zinc/62/33/39/590623339.db2.gz QNKRLHKRQAFKAL-UHFFFAOYSA-N 1 2 242.750 1.683 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878792391 590623341 /nfs/dbraw/zinc/62/33/41/590623341.db2.gz QNKRLHKRQAFKAL-UHFFFAOYSA-N 1 2 242.750 1.683 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878794164 590624170 /nfs/dbraw/zinc/62/41/70/590624170.db2.gz UDPRMZAVLYEILT-NSHDSACASA-N 1 2 242.750 1.824 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878794164 590624172 /nfs/dbraw/zinc/62/41/72/590624172.db2.gz UDPRMZAVLYEILT-NSHDSACASA-N 1 2 242.750 1.824 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ncsc1C1CC1 ZINC000878815417 590626871 /nfs/dbraw/zinc/62/68/71/590626871.db2.gz CYHPSZZFBSYRCM-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO C=C/C=C\CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878914773 590650599 /nfs/dbraw/zinc/65/05/99/590650599.db2.gz JKRMBBZWUSMHRI-XOULXFPDSA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C\CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000878914773 590650600 /nfs/dbraw/zinc/65/06/00/590650600.db2.gz JKRMBBZWUSMHRI-XOULXFPDSA-N 1 2 217.259 1.821 20 0 BDADLO CC1=NO[C@@H](CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000879072962 590692282 /nfs/dbraw/zinc/69/22/82/590692282.db2.gz KALQWAQOYIUJDG-SNVBAGLBSA-N 1 2 248.286 1.098 20 0 BDADLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C/C=C\Cl ZINC000879154235 590705249 /nfs/dbraw/zinc/70/52/49/590705249.db2.gz ONWHOASMFMYWPI-WOMWGJRJSA-N 1 2 247.722 1.391 20 0 BDADLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C/C=C\Cl ZINC000879154235 590705250 /nfs/dbraw/zinc/70/52/50/590705250.db2.gz ONWHOASMFMYWPI-WOMWGJRJSA-N 1 2 247.722 1.391 20 0 BDADLO Cc1n[nH]cc1CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000879188860 590709656 /nfs/dbraw/zinc/70/96/56/590709656.db2.gz REVSVEDCAAHWOX-UHFFFAOYSA-N 1 2 233.319 1.690 20 0 BDADLO COCC[C@H](C)[N@@H+](C)Cc1cn[nH]c1C ZINC000879186363 590710204 /nfs/dbraw/zinc/71/02/04/590710204.db2.gz INQYDPALVOERPY-VIFPVBQESA-N 1 2 211.309 1.575 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)o1 ZINC000879318552 590738832 /nfs/dbraw/zinc/73/88/32/590738832.db2.gz MNDJIKMXCFYGQB-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](OC)CC[C@H]2C)o1 ZINC000879318552 590738835 /nfs/dbraw/zinc/73/88/35/590738835.db2.gz MNDJIKMXCFYGQB-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879503083 590783315 /nfs/dbraw/zinc/78/33/15/590783315.db2.gz UKXSOTOWKXBGBO-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879503083 590783316 /nfs/dbraw/zinc/78/33/16/590783316.db2.gz UKXSOTOWKXBGBO-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000879788451 590870102 /nfs/dbraw/zinc/87/01/02/590870102.db2.gz HIVFQBCSFHMQLZ-LLVKDONJSA-N 1 2 243.314 1.606 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CC[C@@H](C)O ZINC000879980629 590902283 /nfs/dbraw/zinc/90/22/83/590902283.db2.gz JLPIWODYMKOXAR-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@@H](C)C1 ZINC000128147495 590912216 /nfs/dbraw/zinc/91/22/16/590912216.db2.gz JXTWKIBSSXBZEO-SFYZADRCSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@@H](C)C1 ZINC000128147495 590912220 /nfs/dbraw/zinc/91/22/20/590912220.db2.gz JXTWKIBSSXBZEO-SFYZADRCSA-N 1 2 222.292 1.668 20 0 BDADLO COCC1([N@H+](C)Cc2nonc2C)CCC1 ZINC000880185569 590954394 /nfs/dbraw/zinc/95/43/94/590954394.db2.gz UDEQEYVWHBJQAO-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COCC1([N@@H+](C)Cc2nonc2C)CCC1 ZINC000880185569 590954396 /nfs/dbraw/zinc/95/43/96/590954396.db2.gz UDEQEYVWHBJQAO-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COC1CC1 ZINC000880191360 590955614 /nfs/dbraw/zinc/95/56/14/590955614.db2.gz BSNXFRNAWZTUPB-SECBINFHSA-N 1 2 237.303 1.259 20 0 BDADLO CC(C)c1nnc(C[NH+]2CCC(F)CC2)[nH]1 ZINC000880240115 590974536 /nfs/dbraw/zinc/97/45/36/590974536.db2.gz ZNUQITAHZRBPKO-UHFFFAOYSA-N 1 2 226.299 1.862 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](CF)C2)s1 ZINC000880298687 590990663 /nfs/dbraw/zinc/99/06/63/590990663.db2.gz HXVQQHSWVDSTGG-QMMMGPOBSA-N 1 2 229.324 1.892 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](CF)C2)s1 ZINC000880298687 590990664 /nfs/dbraw/zinc/99/06/64/590990664.db2.gz HXVQQHSWVDSTGG-QMMMGPOBSA-N 1 2 229.324 1.892 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1CCCC1=O ZINC000128367885 591011145 /nfs/dbraw/zinc/01/11/45/591011145.db2.gz DQDXAKSMKKPNTI-UHFFFAOYSA-N 1 2 221.304 1.037 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1CCCC1=O ZINC000128367885 591011149 /nfs/dbraw/zinc/01/11/49/591011149.db2.gz DQDXAKSMKKPNTI-UHFFFAOYSA-N 1 2 221.304 1.037 20 0 BDADLO COC(C[NH2+]C1(c2ncccn2)CCC1)OC ZINC000880366387 591012725 /nfs/dbraw/zinc/01/27/25/591012725.db2.gz IHHAIJHVZCRJEX-UHFFFAOYSA-N 1 2 237.303 1.064 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000880417101 591026442 /nfs/dbraw/zinc/02/64/42/591026442.db2.gz GKCYTIKXNGJZLV-CABZTGNLSA-N 1 2 222.288 1.365 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000880417101 591026446 /nfs/dbraw/zinc/02/64/46/591026446.db2.gz GKCYTIKXNGJZLV-CABZTGNLSA-N 1 2 222.288 1.365 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000880434486 591036631 /nfs/dbraw/zinc/03/66/31/591036631.db2.gz CCYOQVFFKFECSN-PSASIEDQSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000880434486 591036634 /nfs/dbraw/zinc/03/66/34/591036634.db2.gz CCYOQVFFKFECSN-PSASIEDQSA-N 1 2 243.738 1.419 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@@H](CO)c1ccccc1 ZINC000880460434 591049929 /nfs/dbraw/zinc/04/99/29/591049929.db2.gz VHTSGZWLPNLJDC-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@@H](CO)c1ccccc1 ZINC000880460434 591049933 /nfs/dbraw/zinc/04/99/33/591049933.db2.gz VHTSGZWLPNLJDC-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO Cc1cccc2nc(C[N@@H+]3CC=C[C@@H]3CO)cn21 ZINC000880485459 591058472 /nfs/dbraw/zinc/05/84/72/591058472.db2.gz HLOFLGLKBUBCNW-CYBMUJFWSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1cccc2nc(C[N@H+]3CC=C[C@@H]3CO)cn21 ZINC000880485459 591058476 /nfs/dbraw/zinc/05/84/76/591058476.db2.gz HLOFLGLKBUBCNW-CYBMUJFWSA-N 1 2 243.310 1.375 20 0 BDADLO COc1c(C)cnc(C[N@@H+]2CC=C[C@@H]2CO)c1C ZINC000880486014 591060821 /nfs/dbraw/zinc/06/08/21/591060821.db2.gz JNNKRFBOJVFWQF-GFCCVEGCSA-N 1 2 248.326 1.440 20 0 BDADLO COc1c(C)cnc(C[N@H+]2CC=C[C@@H]2CO)c1C ZINC000880486014 591060826 /nfs/dbraw/zinc/06/08/26/591060826.db2.gz JNNKRFBOJVFWQF-GFCCVEGCSA-N 1 2 248.326 1.440 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1C/C(Cl)=C/Cl ZINC000880489963 591065930 /nfs/dbraw/zinc/06/59/30/591065930.db2.gz ZRBKXTQVBNSCGZ-NZGHECTNSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1C/C(Cl)=C/Cl ZINC000880489963 591065931 /nfs/dbraw/zinc/06/59/31/591065931.db2.gz ZRBKXTQVBNSCGZ-NZGHECTNSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000880494904 591074061 /nfs/dbraw/zinc/07/40/61/591074061.db2.gz VTALRYMFKICDLC-NSHDSACASA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cncc(Cl)c1 ZINC000880494904 591074065 /nfs/dbraw/zinc/07/40/65/591074065.db2.gz VTALRYMFKICDLC-NSHDSACASA-N 1 2 224.691 1.468 20 0 BDADLO CC(C)(C)C(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880597630 591107096 /nfs/dbraw/zinc/10/70/96/591107096.db2.gz AIJAGSKUSQHCHK-UHFFFAOYSA-N 1 2 247.342 1.840 20 0 BDADLO CC(C)(C)C(=O)CC[N@H+]1CCc2ncncc2C1 ZINC000880597630 591107100 /nfs/dbraw/zinc/10/71/00/591107100.db2.gz AIJAGSKUSQHCHK-UHFFFAOYSA-N 1 2 247.342 1.840 20 0 BDADLO Cc1nocc1C[N@@H+]1CCc2ncncc2C1 ZINC000880600146 591109428 /nfs/dbraw/zinc/10/94/28/591109428.db2.gz XSIAPGZQHMMZJC-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1nocc1C[N@H+]1CCc2ncncc2C1 ZINC000880600146 591109429 /nfs/dbraw/zinc/10/94/29/591109429.db2.gz XSIAPGZQHMMZJC-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO CCCONC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000880607891 591109634 /nfs/dbraw/zinc/10/96/34/591109634.db2.gz FUGYJJHQXRJVPO-UHFFFAOYSA-N 1 2 238.291 1.611 20 0 BDADLO c1cn(CCCn2cc([C@H]3CCOC3)nn2)c[nH+]1 ZINC000881299571 591183094 /nfs/dbraw/zinc/18/30/94/591183094.db2.gz OSTXVVZJGQJRKD-NSHDSACASA-N 1 2 247.302 1.069 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000881566192 591240987 /nfs/dbraw/zinc/24/09/87/591240987.db2.gz VUSCILAZVNAPLF-VSQXVHSFSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)Cc1c[nH+]cn1C ZINC000881566604 591241697 /nfs/dbraw/zinc/24/16/97/591241697.db2.gz BSUFQGZWJPWVTQ-PLNGDYQASA-N 1 2 219.288 1.211 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CF)C1 ZINC000881676645 591265375 /nfs/dbraw/zinc/26/53/75/591265375.db2.gz IXXHNIZNGDAVAY-VHSXEESVSA-N 1 2 239.294 1.406 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CF)C1 ZINC000881676645 591265376 /nfs/dbraw/zinc/26/53/76/591265376.db2.gz IXXHNIZNGDAVAY-VHSXEESVSA-N 1 2 239.294 1.406 20 0 BDADLO Cc1[nH+]cnc(N2CCC(CC(N)=O)CC2)c1C ZINC000881815579 591273345 /nfs/dbraw/zinc/27/33/45/591273345.db2.gz RHEAWLRDNHDQEO-UHFFFAOYSA-N 1 2 248.330 1.185 20 0 BDADLO Cc1[nH+]cnc(NCCCC(=O)N(C)C)c1C ZINC000881842731 591274347 /nfs/dbraw/zinc/27/43/47/591274347.db2.gz FBCMBOAJKPMXEU-UHFFFAOYSA-N 1 2 236.319 1.374 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCCOC2)c1C ZINC000881947401 591283104 /nfs/dbraw/zinc/28/31/04/591283104.db2.gz LWQWYICYCJRQBU-SNVBAGLBSA-N 1 2 207.277 1.684 20 0 BDADLO Cc1nc(CNc2nc[nH+]c(C)c2C)no1 ZINC000881986572 591285574 /nfs/dbraw/zinc/28/55/74/591285574.db2.gz NGXSGGHZTLCOLX-UHFFFAOYSA-N 1 2 219.248 1.397 20 0 BDADLO Cc1ccc([C@H](O)CNc2cc[nH+]cc2F)o1 ZINC000882011012 591287309 /nfs/dbraw/zinc/28/73/09/591287309.db2.gz WMSYDLWWLTZFKH-LLVKDONJSA-N 1 2 236.246 1.690 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@@H]2CCOC2)c1C ZINC000882059908 591293299 /nfs/dbraw/zinc/29/32/99/591293299.db2.gz SETOXYVSEKVPQH-NSHDSACASA-N 1 2 221.304 1.566 20 0 BDADLO Cc1[nH+]cnc(N(C)CCOCC2CC2)c1C ZINC000882079821 591294714 /nfs/dbraw/zinc/29/47/14/591294714.db2.gz CSJTYQMCMVWIJO-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)c2ccncc2)c1C ZINC000882124849 591301933 /nfs/dbraw/zinc/30/19/33/591301933.db2.gz DMKVYYOXJGGRRN-GFCCVEGCSA-N 1 2 244.298 1.634 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCOC[C@H]2C)c1C ZINC000882266956 591323414 /nfs/dbraw/zinc/32/34/14/591323414.db2.gz VUJXUVRBZOLMQE-LDYMZIIASA-N 1 2 221.304 1.930 20 0 BDADLO Cc1[nH+]cnc(NCCNc2ccn(C)n2)c1C ZINC000882272622 591324118 /nfs/dbraw/zinc/32/41/18/591324118.db2.gz XUHFJTQJTQJHHN-UHFFFAOYSA-N 1 2 246.318 1.351 20 0 BDADLO Cc1[nH+]cnc(NCC2=CCCOC2)c1C ZINC000882375681 591339807 /nfs/dbraw/zinc/33/98/07/591339807.db2.gz PNSCXLHPCCPIAH-UHFFFAOYSA-N 1 2 219.288 1.852 20 0 BDADLO Cc1nccnc1CCNc1nc[nH+]c(C)c1C ZINC000882402814 591343494 /nfs/dbraw/zinc/34/34/94/591343494.db2.gz WTNDWUXFUUWLNC-UHFFFAOYSA-N 1 2 243.314 1.846 20 0 BDADLO O=Cc1cnc(N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000882407089 591343958 /nfs/dbraw/zinc/34/39/58/591343958.db2.gz CNOBIRCVXOIBMY-VIFPVBQESA-N 1 2 229.243 1.043 20 0 BDADLO COC[C@@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882408851 591344145 /nfs/dbraw/zinc/34/41/45/591344145.db2.gz SMUHJYHIIIZNKP-ZDUSSCGKSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NC[C@]2(C)CCC(=O)N2)c1C ZINC000882436391 591348378 /nfs/dbraw/zinc/34/83/78/591348378.db2.gz XCTRZNNLKVDZOA-LBPRGKRZSA-N 1 2 234.303 1.174 20 0 BDADLO COC(=O)[C@@H](F)CNc1nc[nH+]c(C)c1C ZINC000882443182 591350011 /nfs/dbraw/zinc/35/00/11/591350011.db2.gz RLFCXTNTXPUFAI-QMMMGPOBSA-N 1 2 227.239 1.016 20 0 BDADLO COC(=O)[C@H]1C[C@@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882463098 591353370 /nfs/dbraw/zinc/35/33/70/591353370.db2.gz YDNQSMSYWIORSU-AOOOYVTPSA-N 1 2 235.287 1.457 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](c3nnc[nH]3)C2)c1C ZINC000882476285 591355536 /nfs/dbraw/zinc/35/55/36/591355536.db2.gz GOROUIKZHQJTHX-JTQLQIEISA-N 1 2 244.302 1.205 20 0 BDADLO CCN1C[C@H](CNc2nc[nH+]c(C)c2C)CC1=O ZINC000882527276 591381838 /nfs/dbraw/zinc/38/18/38/591381838.db2.gz VOAMQZZLESCEFU-NSHDSACASA-N 1 2 248.330 1.374 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H]3[C@@H](C2)C3(F)F)c1C ZINC000882531178 591383762 /nfs/dbraw/zinc/38/37/62/591383762.db2.gz YPZPQGQCCZSGPT-DTORHVGOSA-N 1 2 225.242 1.795 20 0 BDADLO COC[C@H](CCNc1nc[nH+]c(C)c1C)OC ZINC000882578446 591394477 /nfs/dbraw/zinc/39/44/77/591394477.db2.gz QJFQYKSILQJKMT-NSHDSACASA-N 1 2 239.319 1.557 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882645279 591405746 /nfs/dbraw/zinc/40/57/46/591405746.db2.gz PHXBMDMQEHTVSU-LLVKDONJSA-N 1 2 234.303 1.126 20 0 BDADLO COC(=O)C1=CC[C@@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882650894 591407103 /nfs/dbraw/zinc/40/71/03/591407103.db2.gz IXQBCLHIGLZZCH-LLVKDONJSA-N 1 2 247.298 1.767 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000882797303 591441092 /nfs/dbraw/zinc/44/10/92/591441092.db2.gz KBVTYRXBFKSVGK-HOMQSWHASA-N 1 2 248.330 1.888 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000882797303 591441094 /nfs/dbraw/zinc/44/10/94/591441094.db2.gz KBVTYRXBFKSVGK-HOMQSWHASA-N 1 2 248.330 1.888 20 0 BDADLO C=C/C=C/CCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000882796412 591441408 /nfs/dbraw/zinc/44/14/08/591441408.db2.gz WRENPQRONCBMBK-SGUJLRQBSA-N 1 2 248.330 1.814 20 0 BDADLO C=C/C=C/CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000882796412 591441411 /nfs/dbraw/zinc/44/14/11/591441411.db2.gz WRENPQRONCBMBK-SGUJLRQBSA-N 1 2 248.330 1.814 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC(C)(O)CC2)[nH+]c1 ZINC000213292668 591460370 /nfs/dbraw/zinc/46/03/70/591460370.db2.gz HORWLRJZRQHZTE-SNVBAGLBSA-N 1 2 236.315 1.486 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cnc(C)o1 ZINC000882981198 591490976 /nfs/dbraw/zinc/49/09/76/591490976.db2.gz FIFAIRPVCCJKKT-LURJTMIESA-N 1 2 213.237 1.016 20 0 BDADLO CSc1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883010611 591511224 /nfs/dbraw/zinc/51/12/24/591511224.db2.gz VBPYNPMCFAPXKX-UHFFFAOYSA-N 1 2 226.301 1.399 20 0 BDADLO NC(CO)=[NH+]OCc1cccc(OC(F)F)c1 ZINC000883010969 591511283 /nfs/dbraw/zinc/51/12/83/591511283.db2.gz GLQIJCMWWZGJMS-UHFFFAOYSA-N 1 2 246.213 1.279 20 0 BDADLO NC(CO)=[NH+]OCc1cccc(C(F)F)c1 ZINC000883012440 591512572 /nfs/dbraw/zinc/51/25/72/591512572.db2.gz GOJLLTPAHFNCOJ-UHFFFAOYSA-N 1 2 230.214 1.615 20 0 BDADLO CCc1cccc(CO[NH+]=C(N)CO)c1 ZINC000883012645 591513066 /nfs/dbraw/zinc/51/30/66/591513066.db2.gz NDNHAIONILBDGG-UHFFFAOYSA-N 1 2 208.261 1.240 20 0 BDADLO NC(CO)=[NH+]OCCCc1ccccc1Cl ZINC000883012164 591513141 /nfs/dbraw/zinc/51/31/41/591513141.db2.gz WNBKXTSHRZVWPT-UHFFFAOYSA-N 1 2 242.706 1.763 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)CO)c1ccc(F)cc1 ZINC000883013244 591514047 /nfs/dbraw/zinc/51/40/47/591514047.db2.gz JLABKAKLRSGKHH-JTQLQIEISA-N 1 2 242.250 1.004 20 0 BDADLO COc1cccc(CO[NH+]=C(N)CO)c1Cl ZINC000883013231 591514693 /nfs/dbraw/zinc/51/46/93/591514693.db2.gz JATAAGCWNLACHR-UHFFFAOYSA-N 1 2 244.678 1.339 20 0 BDADLO Cc1cc(C[NH2+]Cc2nc(C(C)C)c[nH]2)[nH]n1 ZINC000883015821 591515103 /nfs/dbraw/zinc/51/51/03/591515103.db2.gz FGSIFNFJBLRZDL-UHFFFAOYSA-N 1 2 233.319 1.854 20 0 BDADLO CSc1ccc(C[NH2+]Cc2cnn(C)n2)o1 ZINC000883120186 591543311 /nfs/dbraw/zinc/54/33/11/591543311.db2.gz VVHCTPZWCBSIHC-UHFFFAOYSA-N 1 2 238.316 1.420 20 0 BDADLO CCn1nncc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883185042 591564628 /nfs/dbraw/zinc/56/46/28/591564628.db2.gz MTVOAUQJIXPWHO-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO O=C(C=Cc1cccc(F)c1)NCc1c[nH+]c[nH]1 ZINC000214666377 591702190 /nfs/dbraw/zinc/70/21/90/591702190.db2.gz SHUMVWHEXCRKGF-PLNGDYQASA-N 1 2 245.257 1.878 20 0 BDADLO O=C(C=Cc1cccc(F)c1)NCc1c[nH]c[nH+]1 ZINC000214666377 591702191 /nfs/dbraw/zinc/70/21/91/591702191.db2.gz SHUMVWHEXCRKGF-PLNGDYQASA-N 1 2 245.257 1.878 20 0 BDADLO C=C/C=C/CCNC(=O)NCc1c[nH+]cn1C ZINC000883652714 591710295 /nfs/dbraw/zinc/71/02/95/591710295.db2.gz ZPIPTIBLOZNQJR-SNAWJCMRSA-N 1 2 234.303 1.352 20 0 BDADLO C=C/C=C/CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000883686280 591719271 /nfs/dbraw/zinc/71/92/71/591719271.db2.gz FINXXNNNAGROLQ-SNAWJCMRSA-N 1 2 248.330 1.394 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cccc(O)c2)nn1 ZINC000884004458 591793087 /nfs/dbraw/zinc/79/30/87/591793087.db2.gz ZYQQGLDJQSMHDR-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cccc(O)c2)nn1 ZINC000884004458 591793089 /nfs/dbraw/zinc/79/30/89/591793089.db2.gz ZYQQGLDJQSMHDR-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000884025054 591806090 /nfs/dbraw/zinc/80/60/90/591806090.db2.gz LVHDQISFELTDAD-PTOFAABTSA-N 1 2 247.298 1.417 20 0 BDADLO CC[C@@H](C)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800212040 591840522 /nfs/dbraw/zinc/84/05/22/591840522.db2.gz AOQCKMOQZPNYSM-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@@H](C)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800212040 591840524 /nfs/dbraw/zinc/84/05/24/591840524.db2.gz AOQCKMOQZPNYSM-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800211636 591841300 /nfs/dbraw/zinc/84/13/00/591841300.db2.gz IADSLEJTUFVIMR-WDEREUQCSA-N 1 2 247.310 1.244 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800211636 591841303 /nfs/dbraw/zinc/84/13/03/591841303.db2.gz IADSLEJTUFVIMR-WDEREUQCSA-N 1 2 247.310 1.244 20 0 BDADLO CCc1cc(NCC(=O)N(CC)CC)nc[nH+]1 ZINC000134650166 591945165 /nfs/dbraw/zinc/94/51/65/591945165.db2.gz USWNAYMOJPQNCW-UHFFFAOYSA-N 1 2 236.319 1.319 20 0 BDADLO CCc1nc(N2Cc3c[nH]nc3C2)cc[nH+]1 ZINC000884513909 591961801 /nfs/dbraw/zinc/96/18/01/591961801.db2.gz UYSSAOAQCCNKDP-UHFFFAOYSA-N 1 2 215.260 1.282 20 0 BDADLO CCc1nc(NCc2snnc2C)cc[nH+]1 ZINC000884514837 591963047 /nfs/dbraw/zinc/96/30/47/591963047.db2.gz RFFFTTOOJANYAS-UHFFFAOYSA-N 1 2 235.316 1.811 20 0 BDADLO CCc1nc(N[C@H]2CC(=O)N(CC)C2)cc[nH+]1 ZINC000884521831 591965059 /nfs/dbraw/zinc/96/50/59/591965059.db2.gz HXWSZEFRTFRXQE-VIFPVBQESA-N 1 2 234.303 1.072 20 0 BDADLO CCc1nc(NC[C@]2(C)CCC(=O)N2)cc[nH+]1 ZINC000884525760 591967000 /nfs/dbraw/zinc/96/70/00/591967000.db2.gz CWVPSDSLVRQNIZ-LBPRGKRZSA-N 1 2 234.303 1.120 20 0 BDADLO CCc1nc(NCc2nn(CC)nc2C)cc[nH+]1 ZINC000884535700 591970675 /nfs/dbraw/zinc/97/06/75/591970675.db2.gz JTDBTYUWGUYIIY-UHFFFAOYSA-N 1 2 246.318 1.571 20 0 BDADLO CCc1nc(N[C@H]2C[C@@H](C)n3ncnc32)cc[nH+]1 ZINC000884552478 591977305 /nfs/dbraw/zinc/97/73/05/591977305.db2.gz BGTVSGNXLQPGIS-BDAKNGLRSA-N 1 2 244.302 1.748 20 0 BDADLO CCc1nc(N2C[C@H](C)[C@](C)(CO)C2)cc[nH+]1 ZINC000884560156 591980127 /nfs/dbraw/zinc/98/01/27/591980127.db2.gz OOUDISWBESERRH-GWCFXTLKSA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N2CCC3(COC3)C2)cc[nH+]1 ZINC000884560472 591980311 /nfs/dbraw/zinc/98/03/11/591980311.db2.gz YKXPUAYPBJWGOQ-UHFFFAOYSA-N 1 2 219.288 1.266 20 0 BDADLO CCc1nc(NCCC[C@@H]2CCOC2=O)cc[nH+]1 ZINC000884578913 591985713 /nfs/dbraw/zinc/98/57/13/591985713.db2.gz MMOHIABCMZSUDO-SNVBAGLBSA-N 1 2 249.314 1.794 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890233789 591998618 /nfs/dbraw/zinc/99/86/18/591998618.db2.gz NCUAJTZNGSYKMG-ONGXEEELSA-N 1 2 219.288 1.353 20 0 BDADLO Cc1nc(N2CC[C@@]3(CO)CCC[C@@H]23)cc[nH+]1 ZINC000884665475 592008004 /nfs/dbraw/zinc/00/80/04/592008004.db2.gz VUHRKPCKLMDEBB-DGCLKSJQSA-N 1 2 233.315 1.526 20 0 BDADLO Cc1nc(N[C@H](CCO)C(F)(F)F)cc[nH+]1 ZINC000884835833 592024424 /nfs/dbraw/zinc/02/44/24/592024424.db2.gz YKYCXMGXOLXACG-SSDOTTSWSA-N 1 2 235.209 1.510 20 0 BDADLO C[C@@H]1CCC(=O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885074218 592046675 /nfs/dbraw/zinc/04/66/75/592046675.db2.gz SBNDUOZKDWXZDM-FBIMIBRVSA-N 1 2 247.298 1.093 20 0 BDADLO C[C@@H]1CCC(=O)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885074218 592046677 /nfs/dbraw/zinc/04/66/77/592046677.db2.gz SBNDUOZKDWXZDM-FBIMIBRVSA-N 1 2 247.298 1.093 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000885985602 592121627 /nfs/dbraw/zinc/12/16/27/592121627.db2.gz LTTPCOGLEGWVPJ-CMPLNLGQSA-N 1 2 249.301 1.627 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1C[C@@]12CCOC2 ZINC000885985602 592121630 /nfs/dbraw/zinc/12/16/30/592121630.db2.gz LTTPCOGLEGWVPJ-CMPLNLGQSA-N 1 2 249.301 1.627 20 0 BDADLO FC1(F)CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886117013 592154883 /nfs/dbraw/zinc/15/48/83/592154883.db2.gz XKXLZWUYKWVVLB-ZJUUUORDSA-N 1 2 217.259 1.754 20 0 BDADLO FC1(F)CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886117013 592154884 /nfs/dbraw/zinc/15/48/84/592154884.db2.gz XKXLZWUYKWVVLB-ZJUUUORDSA-N 1 2 217.259 1.754 20 0 BDADLO Cc1noc([C@H](C)[NH2+]C[C@](C)(O)C(F)F)n1 ZINC000886129669 592159501 /nfs/dbraw/zinc/15/95/01/592159501.db2.gz KVKNXSPOMYLYMM-CDUCUWFYSA-N 1 2 235.234 1.045 20 0 BDADLO Cc1[nH]nc(NCc2c[nH+]cn2C)c1C ZINC000886196058 592173725 /nfs/dbraw/zinc/17/37/25/592173725.db2.gz GORKJTBYFHOBOD-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000886247149 592185789 /nfs/dbraw/zinc/18/57/89/592185789.db2.gz IWFIVQQILAMJON-SNVBAGLBSA-N 1 2 246.318 1.134 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)s1 ZINC000886249428 592186966 /nfs/dbraw/zinc/18/69/66/592186966.db2.gz JYECAVKFOIELHA-LDYMZIIASA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)s1 ZINC000886249428 592186969 /nfs/dbraw/zinc/18/69/69/592186969.db2.gz JYECAVKFOIELHA-LDYMZIIASA-N 1 2 242.344 1.033 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC000886284253 592200208 /nfs/dbraw/zinc/20/02/08/592200208.db2.gz RNJNDOMRPDIQRK-AVGNSLFASA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC000886284253 592200212 /nfs/dbraw/zinc/20/02/12/592200212.db2.gz RNJNDOMRPDIQRK-AVGNSLFASA-N 1 2 241.331 1.249 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886332604 592211032 /nfs/dbraw/zinc/21/10/32/592211032.db2.gz WOIGMZKKJQFIMA-DTORHVGOSA-N 1 2 207.277 1.645 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)no1 ZINC000886332604 592211034 /nfs/dbraw/zinc/21/10/34/592211034.db2.gz WOIGMZKKJQFIMA-DTORHVGOSA-N 1 2 207.277 1.645 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000886464643 592228400 /nfs/dbraw/zinc/22/84/00/592228400.db2.gz BCXVTNPGXASYHR-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000886464643 592228402 /nfs/dbraw/zinc/22/84/02/592228402.db2.gz BCXVTNPGXASYHR-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO c1cc(C[N@@H+]2CCCn3nncc3C2)cs1 ZINC000886466624 592229231 /nfs/dbraw/zinc/22/92/31/592229231.db2.gz DFESJBPFRJJGSS-UHFFFAOYSA-N 1 2 234.328 1.746 20 0 BDADLO c1cc(C[N@H+]2CCCn3nncc3C2)cs1 ZINC000886466624 592229233 /nfs/dbraw/zinc/22/92/33/592229233.db2.gz DFESJBPFRJJGSS-UHFFFAOYSA-N 1 2 234.328 1.746 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1CC13CC3)C2 ZINC000886610050 592274722 /nfs/dbraw/zinc/27/47/22/592274722.db2.gz NSOGNBKQJCIENQ-SNVBAGLBSA-N 1 2 245.326 1.588 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C=C1CCC1)C2 ZINC000886619848 592277173 /nfs/dbraw/zinc/27/71/73/592277173.db2.gz SSIOKLNWFZDUHP-UHFFFAOYSA-N 1 2 245.326 1.898 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H](C)C1CC1)C2 ZINC000886619391 592277394 /nfs/dbraw/zinc/27/73/94/592277394.db2.gz BRTRQLHWYZFWAH-JTQLQIEISA-N 1 2 247.342 1.834 20 0 BDADLO C/C=C(\C)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886619563 592278048 /nfs/dbraw/zinc/27/80/48/592278048.db2.gz IUOSWYQFOQPYGY-ONNFQVAWSA-N 1 2 233.315 1.754 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1(C)CC1)C2 ZINC000886618054 592278392 /nfs/dbraw/zinc/27/83/92/592278392.db2.gz KVPRMGLYPZYGKI-UHFFFAOYSA-N 1 2 233.315 1.588 20 0 BDADLO C/C=C/C=C\C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886628951 592280770 /nfs/dbraw/zinc/28/07/70/592280770.db2.gz LGUWNTQPRQKBNM-WZWXSLMZSA-N 1 2 245.326 1.920 20 0 BDADLO CCn1ncc(C[NH2+][C@@H]2CCc3cccnc32)n1 ZINC000886641605 592287171 /nfs/dbraw/zinc/28/71/71/592287171.db2.gz NJKRTFSUDZTHIN-GFCCVEGCSA-N 1 2 243.314 1.470 20 0 BDADLO CCn1ncc(C[NH2+][C@H]2CCc3cccnc32)n1 ZINC000886641606 592287729 /nfs/dbraw/zinc/28/77/29/592287729.db2.gz NJKRTFSUDZTHIN-LBPRGKRZSA-N 1 2 243.314 1.470 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000221127648 592396647 /nfs/dbraw/zinc/39/66/47/592396647.db2.gz UXPFQCRGHXQKGZ-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000221127648 592396653 /nfs/dbraw/zinc/39/66/53/592396653.db2.gz UXPFQCRGHXQKGZ-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C(C)C ZINC000886959271 592399909 /nfs/dbraw/zinc/39/99/09/592399909.db2.gz NBDWMAARIYZANU-QWRGUYRKSA-N 1 2 229.320 1.485 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CCCF ZINC000887141046 592455204 /nfs/dbraw/zinc/45/52/04/592455204.db2.gz CWWUITFTZLLSEH-UHFFFAOYSA-N 1 2 228.315 1.788 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CCCF ZINC000887141046 592455208 /nfs/dbraw/zinc/45/52/08/592455208.db2.gz CWWUITFTZLLSEH-UHFFFAOYSA-N 1 2 228.315 1.788 20 0 BDADLO C[N@H+](CCCF)Cc1ncnn1C(C)(C)C ZINC000887142692 592458441 /nfs/dbraw/zinc/45/84/41/592458441.db2.gz WSDPSNHYRALAON-UHFFFAOYSA-N 1 2 228.315 1.825 20 0 BDADLO C[N@@H+](CCCF)Cc1ncnn1C(C)(C)C ZINC000887142692 592458447 /nfs/dbraw/zinc/45/84/47/592458447.db2.gz WSDPSNHYRALAON-UHFFFAOYSA-N 1 2 228.315 1.825 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000140428840 592470338 /nfs/dbraw/zinc/47/03/38/592470338.db2.gz DFMKOCNSDZSLQY-RKDXNWHRSA-N 1 2 207.277 1.490 20 0 BDADLO CCn1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000887552753 592524483 /nfs/dbraw/zinc/52/44/83/592524483.db2.gz PTMDGLZVEBDADA-NSHDSACASA-N 1 2 246.318 1.358 20 0 BDADLO CCCc1occc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890106490 592680968 /nfs/dbraw/zinc/68/09/68/592680968.db2.gz APXMJJNAYGPARU-UHFFFAOYSA-N 1 2 247.298 1.896 20 0 BDADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)cnc1F ZINC000890104736 592681509 /nfs/dbraw/zinc/68/15/09/592681509.db2.gz PLMJMJYOYWGEHU-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2ocnc2C2CC2)c1 ZINC000890108082 592682544 /nfs/dbraw/zinc/68/25/44/592682544.db2.gz UFQIMYQNTCDHHK-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC(C)n1cccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109238 592683085 /nfs/dbraw/zinc/68/30/85/592683085.db2.gz HSVWRHPITAVEHO-UHFFFAOYSA-N 1 2 246.314 1.733 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCSC2)c1 ZINC000890107865 592683282 /nfs/dbraw/zinc/68/32/82/592683282.db2.gz SWLQVJVBULOIRZ-VIFPVBQESA-N 1 2 239.344 1.180 20 0 BDADLO CCC[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113756 592684102 /nfs/dbraw/zinc/68/41/02/592684102.db2.gz OQHLIYHQRFAWIG-SECBINFHSA-N 1 2 209.293 1.473 20 0 BDADLO CCc1cccnc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890110384 592684035 /nfs/dbraw/zinc/68/40/35/592684035.db2.gz ZKPSOKHDLFSFPE-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C(C)(Cl)Cl)c1 ZINC000890110270 592684444 /nfs/dbraw/zinc/68/44/44/592684444.db2.gz XOYIGWFIRLQPKP-UHFFFAOYSA-N 1 2 236.102 1.230 20 0 BDADLO CCC1(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890110747 592684598 /nfs/dbraw/zinc/68/45/98/592684598.db2.gz SMQKSRHDMDHSPX-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO C[C@@H](CC(=O)NCc1cn(C)c[nH+]1)n1cccc1 ZINC000890114134 592684768 /nfs/dbraw/zinc/68/47/68/592684768.db2.gz VJSQYAVOEHZUGA-NSHDSACASA-N 1 2 246.314 1.489 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2cc(C3CC3)on2)c1 ZINC000890116768 592685236 /nfs/dbraw/zinc/68/52/36/592685236.db2.gz DLFASGFUXLSPNC-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC/C=C(\C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114456 592685257 /nfs/dbraw/zinc/68/52/57/592685257.db2.gz LRDCKYALSAFHRF-WEVVVXLNSA-N 1 2 207.277 1.393 20 0 BDADLO Cn1c[nH+]c(CNC(=O)Cc2ccsc2)c1 ZINC000890119783 592685332 /nfs/dbraw/zinc/68/53/32/592685332.db2.gz NMBJDHMTHFPJAZ-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO C/C=C/C=C/C(=O)NCc1cn(C)c[nH+]1 ZINC000890119641 592685862 /nfs/dbraw/zinc/68/58/62/592685862.db2.gz MGCPIKQGWHAYOX-VNKDHWASSA-N 1 2 205.261 1.169 20 0 BDADLO Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)[O-])C1 ZINC000738371043 599924881 /nfs/dbraw/zinc/92/48/81/599924881.db2.gz RMCSYAJBAMJVEN-LLVKDONJSA-N 1 2 237.303 1.303 20 0 BDADLO Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000738371043 599924882 /nfs/dbraw/zinc/92/48/82/599924882.db2.gz RMCSYAJBAMJVEN-LLVKDONJSA-N 1 2 237.303 1.303 20 0 BDADLO O=C([O-])C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000049328768 598186004 /nfs/dbraw/zinc/18/60/04/598186004.db2.gz BWSSQABYSMILJX-UHFFFAOYSA-N 1 2 237.303 1.070 20 0 BDADLO CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC(=O)[O-] ZINC000049555715 598215667 /nfs/dbraw/zinc/21/56/67/598215667.db2.gz MOOSAKWDRKQWJI-MNOVXSKESA-N 1 2 230.352 1.416 20 0 BDADLO CC(C)c1nnc(C[NH2+]C2(CO)CC2)s1 ZINC000893388671 634384910 /nfs/dbraw/zinc/38/49/10/634384910.db2.gz SBPKIATUDOMGKJ-UHFFFAOYSA-N 1 2 227.333 1.276 20 0 BDADLO CCCC[C@H]([NH2+][C@H](CC)CO)C(=O)OC ZINC000299996442 634405132 /nfs/dbraw/zinc/40/51/32/634405132.db2.gz LEFQKLIYDADFAV-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)OC2CCCC2)c1 ZINC000313256721 634460924 /nfs/dbraw/zinc/46/09/24/634460924.db2.gz ZJJREKMTRWZLIQ-UHFFFAOYSA-N 1 2 237.303 1.631 20 0 BDADLO O=C(N[C@H]1CC[N@H+](C/C=C/Cl)C1)C(F)F ZINC001009814245 634588798 /nfs/dbraw/zinc/58/87/98/634588798.db2.gz GCUOZJSWAPINTP-RMKMGNDCSA-N 1 2 238.665 1.195 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](C/C=C/Cl)C1)C(F)F ZINC001009814245 634588804 /nfs/dbraw/zinc/58/88/04/634588804.db2.gz GCUOZJSWAPINTP-RMKMGNDCSA-N 1 2 238.665 1.195 20 0 BDADLO CC1(C(=O)N2CCC[N@@H+](CCF)CC2)CC1 ZINC000981214453 635333824 /nfs/dbraw/zinc/33/38/24/635333824.db2.gz ACMISWMLOLXWHT-UHFFFAOYSA-N 1 2 228.311 1.290 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)C(=O)OC(C)(C)C ZINC000090815252 631237024 /nfs/dbraw/zinc/23/70/24/631237024.db2.gz GIIXIAYEYKYUOH-AXFHLTTASA-N 1 2 243.347 1.467 20 0 BDADLO Cc1cc(NC[C@H](C)O)nc(C2CCC2)[nH+]1 ZINC000891437558 631256152 /nfs/dbraw/zinc/25/61/52/631256152.db2.gz UDNZBWJEIVKFOI-VIFPVBQESA-N 1 2 221.304 1.845 20 0 BDADLO COC[C@H]1COCC[N@@H+]1CCOCC1CCC1 ZINC000933330911 631263830 /nfs/dbraw/zinc/26/38/30/631263830.db2.gz KELWJJPBNICHSO-ZDUSSCGKSA-N 1 2 243.347 1.150 20 0 BDADLO COC[C@H]1COCC[N@H+]1CCOCC1CCC1 ZINC000933330911 631263833 /nfs/dbraw/zinc/26/38/33/631263833.db2.gz KELWJJPBNICHSO-ZDUSSCGKSA-N 1 2 243.347 1.150 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)C2(C)C)c(C)o1 ZINC000093084724 631563904 /nfs/dbraw/zinc/56/39/04/631563904.db2.gz YQLLETNDGGSUPV-UHFFFAOYSA-N 1 2 236.315 1.607 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)C2(C)C)c(C)o1 ZINC000093084724 631563920 /nfs/dbraw/zinc/56/39/20/631563920.db2.gz YQLLETNDGGSUPV-UHFFFAOYSA-N 1 2 236.315 1.607 20 0 BDADLO CCc1cc(NCc2cncn2C)nc(CC)[nH+]1 ZINC000893899508 635635164 /nfs/dbraw/zinc/63/51/64/635635164.db2.gz CACNZVCRZSTPHM-UHFFFAOYSA-N 1 2 245.330 1.947 20 0 BDADLO Cc1coc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000893902038 635637107 /nfs/dbraw/zinc/63/71/07/635637107.db2.gz GBAOFUKVWLYREZ-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO Cc1coc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000893902038 635637109 /nfs/dbraw/zinc/63/71/09/635637109.db2.gz GBAOFUKVWLYREZ-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000934012899 631589786 /nfs/dbraw/zinc/58/97/86/631589786.db2.gz RVIUWQJMERDZTE-SECBINFHSA-N 1 2 234.324 1.863 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1nc2ccccc2s1 ZINC000934012899 631589791 /nfs/dbraw/zinc/58/97/91/631589791.db2.gz RVIUWQJMERDZTE-SECBINFHSA-N 1 2 234.324 1.863 20 0 BDADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]1CO ZINC000934014074 631594513 /nfs/dbraw/zinc/59/45/13/631594513.db2.gz KIYKHSNPAQPVAI-NXEZZACHSA-N 1 2 229.320 1.173 20 0 BDADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]1CO ZINC000934014074 631594516 /nfs/dbraw/zinc/59/45/16/631594516.db2.gz KIYKHSNPAQPVAI-NXEZZACHSA-N 1 2 229.320 1.173 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]2CO)c1 ZINC000934025937 631604074 /nfs/dbraw/zinc/60/40/74/631604074.db2.gz IALDMNGRQNSYJM-LBPRGKRZSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H]2CO)c1 ZINC000934025937 631604076 /nfs/dbraw/zinc/60/40/76/631604076.db2.gz IALDMNGRQNSYJM-LBPRGKRZSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1ccc2nc(C[N@@H+]3CC[C@@H]3CO)cn2c1 ZINC000934026644 631605077 /nfs/dbraw/zinc/60/50/77/631605077.db2.gz OLFBGDXFPDVUAM-GFCCVEGCSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1ccc2nc(C[N@H+]3CC[C@@H]3CO)cn2c1 ZINC000934026644 631605082 /nfs/dbraw/zinc/60/50/82/631605082.db2.gz OLFBGDXFPDVUAM-GFCCVEGCSA-N 1 2 231.299 1.209 20 0 BDADLO C/C=C(\C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000176263245 631652492 /nfs/dbraw/zinc/65/24/92/631652492.db2.gz OIXLWVDQCSWTHS-VZUCSPMQSA-N 1 2 240.347 1.180 20 0 BDADLO CCc1cc(NC[C@H](O)COC)nc(CC)[nH+]1 ZINC000893723971 635626509 /nfs/dbraw/zinc/62/65/09/635626509.db2.gz HEBXDRBXYIYLCX-JTQLQIEISA-N 1 2 239.319 1.021 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934126208 631703108 /nfs/dbraw/zinc/70/31/08/631703108.db2.gz UOURASHNAKRINU-IVZWLZJFSA-N 1 2 239.319 1.802 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934126208 631703114 /nfs/dbraw/zinc/70/31/14/631703114.db2.gz UOURASHNAKRINU-IVZWLZJFSA-N 1 2 239.319 1.802 20 0 BDADLO CCCCC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000889523829 631820803 /nfs/dbraw/zinc/82/08/03/631820803.db2.gz OIOLIHGEIKEGCN-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934568705 631942809 /nfs/dbraw/zinc/94/28/09/631942809.db2.gz VCLMDVSUNVQZFX-VXGBXAGGSA-N 1 2 242.294 1.239 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934568705 631942813 /nfs/dbraw/zinc/94/28/13/631942813.db2.gz VCLMDVSUNVQZFX-VXGBXAGGSA-N 1 2 242.294 1.239 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2ccccc2F)C[C@H]1F ZINC000934573225 631946730 /nfs/dbraw/zinc/94/67/30/631946730.db2.gz OKGDIWSPGKPMBF-CHWSQXEVSA-N 1 2 241.281 1.773 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2ccccc2F)C[C@H]1F ZINC000934573225 631946734 /nfs/dbraw/zinc/94/67/34/631946734.db2.gz OKGDIWSPGKPMBF-CHWSQXEVSA-N 1 2 241.281 1.773 20 0 BDADLO CN(CCO)c1ccc(NCc2ccco2)[nH+]c1 ZINC000305128230 631976727 /nfs/dbraw/zinc/97/67/27/631976727.db2.gz PURUXXNYPGFSTH-UHFFFAOYSA-N 1 2 247.298 1.715 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CC2(Cl)Cl)n1 ZINC000308872747 632038771 /nfs/dbraw/zinc/03/87/71/632038771.db2.gz LFTVGBHJAOTWNN-YFKPBYRVSA-N 1 2 236.102 1.840 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000157068801 632412838 /nfs/dbraw/zinc/41/28/38/632412838.db2.gz RDVMYSHOYCVXHA-ZJUUUORDSA-N 1 2 239.290 1.908 20 0 BDADLO C[C@@H](CO)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935067286 632435459 /nfs/dbraw/zinc/43/54/59/632435459.db2.gz CHPXEBGRPHTICR-QMMMGPOBSA-N 1 2 233.271 1.016 20 0 BDADLO C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOC1 ZINC000935090385 632442935 /nfs/dbraw/zinc/44/29/35/632442935.db2.gz HYPMBNXRBRKROX-CYBMUJFWSA-N 1 2 245.282 1.472 20 0 BDADLO C[C@@H](O)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935332551 632621958 /nfs/dbraw/zinc/62/19/58/632621958.db2.gz CLSCZEDPXQDYMW-DTWKUNHWSA-N 1 2 247.298 1.452 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOCC1(C)C ZINC000309051266 632629919 /nfs/dbraw/zinc/62/99/19/632629919.db2.gz FYLJERMNLWKQHH-WAYWQWQTSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOCC1(C)C ZINC000309051266 632629923 /nfs/dbraw/zinc/62/99/23/632629923.db2.gz FYLJERMNLWKQHH-WAYWQWQTSA-N 1 2 227.304 1.217 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccoc1 ZINC000309097810 632637686 /nfs/dbraw/zinc/63/76/86/632637686.db2.gz DNABKMDYLJNFEW-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO CO[C@H](C)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000309818004 632674184 /nfs/dbraw/zinc/67/41/84/632674184.db2.gz CLWHVSYFEMBVLM-ZJUUUORDSA-N 1 2 231.336 1.731 20 0 BDADLO CC[S@](=O)CC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309957162 632686927 /nfs/dbraw/zinc/68/69/27/632686927.db2.gz IYZZHBWXLITOOT-QFYYESIMSA-N 1 2 241.360 1.145 20 0 BDADLO CC[C@H]([NH2+]Cc1c[nH]cn1)[C@@H](O)C(F)(F)F ZINC000310022046 632694331 /nfs/dbraw/zinc/69/43/31/632694331.db2.gz NVNYWXAMKAYKKL-JGVFFNPUSA-N 1 2 237.225 1.201 20 0 BDADLO Cc1nc(N2CCC3(CCCC3)C2)nc(N)[nH+]1 ZINC000310152162 632699991 /nfs/dbraw/zinc/69/99/91/632699991.db2.gz HRUMNKGCSRMUJG-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1CCCC1 ZINC000179518082 632739715 /nfs/dbraw/zinc/73/97/15/632739715.db2.gz MSCGOKMBNMBGLU-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1cc(C2CC2)no1 ZINC000923880962 632814955 /nfs/dbraw/zinc/81/49/55/632814955.db2.gz CKKDJLPYJWPSBP-UHFFFAOYSA-N 1 2 246.270 1.065 20 0 BDADLO C[C@H]1CN(C(=O)c2ccco2)CC[N@@H+]1C ZINC000074755158 632840767 /nfs/dbraw/zinc/84/07/67/632840767.db2.gz SPMYKNQMHCXENQ-VIFPVBQESA-N 1 2 208.261 1.056 20 0 BDADLO C[C@H]1CN(C(=O)c2ccco2)CC[N@H+]1C ZINC000074755158 632840769 /nfs/dbraw/zinc/84/07/69/632840769.db2.gz SPMYKNQMHCXENQ-VIFPVBQESA-N 1 2 208.261 1.056 20 0 BDADLO CC(=O)CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309250497 632841204 /nfs/dbraw/zinc/84/12/04/632841204.db2.gz DSAXGBSLQWMREZ-UHFFFAOYSA-N 1 2 222.244 1.076 20 0 BDADLO CC[C@@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000309281714 632883080 /nfs/dbraw/zinc/88/30/80/632883080.db2.gz NJXCNQXCWITHNG-SECBINFHSA-N 1 2 222.288 1.938 20 0 BDADLO O=C(NCCCCCO)c1cc2c[nH+]ccc2[nH]1 ZINC000935726071 632952801 /nfs/dbraw/zinc/95/28/01/632952801.db2.gz YBZODMWUJBACEM-UHFFFAOYSA-N 1 2 247.298 1.455 20 0 BDADLO COCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180775293 633051808 /nfs/dbraw/zinc/05/18/08/633051808.db2.gz WHDBHVYCEQVWPD-UHFFFAOYSA-N 1 2 246.266 1.676 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccn(C)n2)c(C)o1 ZINC000164068816 633071732 /nfs/dbraw/zinc/07/17/32/633071732.db2.gz GZGBJUUJLRNONB-UHFFFAOYSA-N 1 2 219.288 1.920 20 0 BDADLO CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CCC1 ZINC000336475741 635904265 /nfs/dbraw/zinc/90/42/65/635904265.db2.gz SOYKGAZFKSTAQM-UHFFFAOYSA-N 1 2 248.330 1.070 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)cn1 ZINC000895118563 636068665 /nfs/dbraw/zinc/06/86/65/636068665.db2.gz KTSFAXRGVGDKQE-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)cn1 ZINC000895118563 636068667 /nfs/dbraw/zinc/06/86/67/636068667.db2.gz KTSFAXRGVGDKQE-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1nccn2c[nH+]cc12 ZINC000892942283 633751079 /nfs/dbraw/zinc/75/10/79/633751079.db2.gz VRXABDFWKJUJHL-ZJUUUORDSA-N 1 2 232.287 1.343 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cccc(F)c1 ZINC000310112090 634074729 /nfs/dbraw/zinc/07/47/29/634074729.db2.gz ASWLTXCGNWVNHZ-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO COCCCC[N@H+](C)Cc1nncs1 ZINC000930743409 634081061 /nfs/dbraw/zinc/08/10/61/634081061.db2.gz CSVTXIVSFGIVHD-UHFFFAOYSA-N 1 2 215.322 1.397 20 0 BDADLO COCCCC[N@@H+](C)Cc1nncs1 ZINC000930743409 634081066 /nfs/dbraw/zinc/08/10/66/634081066.db2.gz CSVTXIVSFGIVHD-UHFFFAOYSA-N 1 2 215.322 1.397 20 0 BDADLO CC1CC(C[N@@H+]2CCOC[C@H]2c2ccnn2C)C1 ZINC000930864516 634141868 /nfs/dbraw/zinc/14/18/68/634141868.db2.gz NAPQJZWNKPSVTL-YIZWMMSDSA-N 1 2 249.358 1.840 20 0 BDADLO CC1CC(C[N@H+]2CCOC[C@H]2c2ccnn2C)C1 ZINC000930864516 634141873 /nfs/dbraw/zinc/14/18/73/634141873.db2.gz NAPQJZWNKPSVTL-YIZWMMSDSA-N 1 2 249.358 1.840 20 0 BDADLO CC1(C)C[C@](C)([NH2+]CCc2cn[nH]c2)C(=O)O1 ZINC000930872487 634145779 /nfs/dbraw/zinc/14/57/79/634145779.db2.gz KQFGDSVQLDTSSN-LBPRGKRZSA-N 1 2 237.303 1.026 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc(F)n1 ZINC000162442037 634153668 /nfs/dbraw/zinc/15/36/68/634153668.db2.gz VMMYYRUJRBYQQI-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000308334928 634297754 /nfs/dbraw/zinc/29/77/54/634297754.db2.gz BORQXDSWSGMDLV-DTWKUNHWSA-N 1 2 235.274 1.161 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CCC=CO1 ZINC000194036090 634303003 /nfs/dbraw/zinc/30/30/03/634303003.db2.gz HMDBULPLXKBUDE-LLVKDONJSA-N 1 2 247.360 1.046 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CCC=CO1 ZINC000194036090 634303004 /nfs/dbraw/zinc/30/30/04/634303004.db2.gz HMDBULPLXKBUDE-LLVKDONJSA-N 1 2 247.360 1.046 20 0 BDADLO Cn1cnn(C[N@H+](C)CCC2CC2)c1=S ZINC000162845556 635143390 /nfs/dbraw/zinc/14/33/90/635143390.db2.gz XSZMSWBSSQYLBC-UHFFFAOYSA-N 1 2 226.349 1.640 20 0 BDADLO Cn1cnn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162845556 635143397 /nfs/dbraw/zinc/14/33/97/635143397.db2.gz XSZMSWBSSQYLBC-UHFFFAOYSA-N 1 2 226.349 1.640 20 0 BDADLO CC1(C(=O)N2CCC[N@H+](CCF)CC2)CC1 ZINC000981214453 635333819 /nfs/dbraw/zinc/33/38/19/635333819.db2.gz ACMISWMLOLXWHT-UHFFFAOYSA-N 1 2 228.311 1.290 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cccnc1 ZINC000895118070 636065116 /nfs/dbraw/zinc/06/51/16/636065116.db2.gz YUCRFQJGEBXPQD-HBNTYKKESA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1cccnc1 ZINC000895118070 636065119 /nfs/dbraw/zinc/06/51/19/636065119.db2.gz YUCRFQJGEBXPQD-HBNTYKKESA-N 1 2 233.315 1.179 20 0 BDADLO COCC1C[NH+](Cc2ncc(C)s2)C1 ZINC000895970427 636185703 /nfs/dbraw/zinc/18/57/03/636185703.db2.gz YALCAFWEFPAAMQ-UHFFFAOYSA-N 1 2 212.318 1.530 20 0 BDADLO Cc1cc(N2CC[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000897120593 636269779 /nfs/dbraw/zinc/26/97/79/636269779.db2.gz VWHIXSCBJFCBMD-SNVBAGLBSA-N 1 2 219.288 1.233 20 0 BDADLO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)C(=O)OC(C)(C)C ZINC000897355128 636376570 /nfs/dbraw/zinc/37/65/70/636376570.db2.gz FKSVAIREUIKULF-OPRDCNLKSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@@H](c1nc(CC2CCOCC2)no1)[NH+](C)C ZINC000350600121 636433394 /nfs/dbraw/zinc/43/33/94/636433394.db2.gz SRSQBLDYDBEPEZ-VIFPVBQESA-N 1 2 239.319 1.661 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)/C=C\Cl ZINC000928929276 636526242 /nfs/dbraw/zinc/52/62/42/636526242.db2.gz KXHMSFIMDPJOOO-PLNGDYQASA-N 1 2 241.722 1.610 20 0 BDADLO CC(C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000169798054 636540486 /nfs/dbraw/zinc/54/04/86/636540486.db2.gz RWTHGVLDIVTWAR-SNVBAGLBSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925293147 636741532 /nfs/dbraw/zinc/74/15/32/636741532.db2.gz KGINDLCULPBSOY-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO CC(C)Cc1noc([C@@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923753153 636820748 /nfs/dbraw/zinc/82/07/48/636820748.db2.gz OHLFRTGJADPGKV-ZJUUUORDSA-N 1 2 239.319 1.660 20 0 BDADLO CC(C)Cc1noc([C@@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923753153 636820754 /nfs/dbraw/zinc/82/07/54/636820754.db2.gz OHLFRTGJADPGKV-ZJUUUORDSA-N 1 2 239.319 1.660 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC(=O)C1CC1 ZINC000923890173 636999800 /nfs/dbraw/zinc/99/98/00/636999800.db2.gz WWKRVXIHDKBMEQ-NSHDSACASA-N 1 2 239.315 1.382 20 0 BDADLO CC(C)[N@H+]1CCC[C@H]1C(=O)OCC(=O)C1CC1 ZINC000923890173 636999805 /nfs/dbraw/zinc/99/98/05/636999805.db2.gz WWKRVXIHDKBMEQ-NSHDSACASA-N 1 2 239.315 1.382 20 0 BDADLO c1[nH]cc([C@H]2C[C@@H]2c2nc([C@@H]3CCCO3)no2)[nH+]1 ZINC000923921357 637000579 /nfs/dbraw/zinc/00/05/79/637000579.db2.gz BKHROBPHNADKJK-NRPADANISA-N 1 2 246.270 1.915 20 0 BDADLO CC[C@H](OC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)=O ZINC000923891569 637005445 /nfs/dbraw/zinc/00/54/45/637005445.db2.gz NKWVHLVLISSSNI-RYUDHWBXSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@H](OC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)=O ZINC000923891569 637005450 /nfs/dbraw/zinc/00/54/50/637005450.db2.gz NKWVHLVLISSSNI-RYUDHWBXSA-N 1 2 241.331 1.770 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1CCC(=O)C1)n1cc[nH+]c1 ZINC000898910174 637063783 /nfs/dbraw/zinc/06/37/83/637063783.db2.gz KLVROODIOIYCAY-SNVBAGLBSA-N 1 2 249.314 1.104 20 0 BDADLO CC(C)(CNC(=O)C1CSC1)n1cc[nH+]c1 ZINC000898909644 637064141 /nfs/dbraw/zinc/06/41/41/637064141.db2.gz CTXQTUDIFHLAAP-UHFFFAOYSA-N 1 2 239.344 1.097 20 0 BDADLO CC(C)(CNC(=O)CCCF)n1cc[nH+]c1 ZINC000898910920 637065197 /nfs/dbraw/zinc/06/51/97/637065197.db2.gz BJURVLOMOJMDMF-UHFFFAOYSA-N 1 2 227.283 1.484 20 0 BDADLO C/C(Cl)=C\C(=O)NCc1[nH]c[nH+]c1C ZINC000900920175 637204210 /nfs/dbraw/zinc/20/42/10/637204210.db2.gz OMTNMSXPFMSJPY-ZZXKWVIFSA-N 1 2 213.668 1.477 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900904786 637197871 /nfs/dbraw/zinc/19/78/71/637197871.db2.gz UFGVIWOABDZEKZ-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO CCC/C=C\[C@@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900917559 637203415 /nfs/dbraw/zinc/20/34/15/637203415.db2.gz CZDKQFASLDWFFR-ISALQUGTSA-N 1 2 237.303 1.052 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C/[C@H]2CCOC2)[nH+]c1C ZINC000900999546 637225514 /nfs/dbraw/zinc/22/55/14/637225514.db2.gz HFJYZGGNALNUBL-UFFNRZRYSA-N 1 2 249.314 1.235 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@H]2CCOC2)[nH+]c1C ZINC000900999546 637225519 /nfs/dbraw/zinc/22/55/19/637225519.db2.gz HFJYZGGNALNUBL-UFFNRZRYSA-N 1 2 249.314 1.235 20 0 BDADLO COCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905049539 637566022 /nfs/dbraw/zinc/56/60/22/637566022.db2.gz VUTYLQBMEYKIJW-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000905142021 637651259 /nfs/dbraw/zinc/65/12/59/637651259.db2.gz LQLATOCJUSTJEM-UHFFFAOYSA-N 1 2 234.303 1.297 20 0 BDADLO CCC[NH2+][C@H](C)c1nc(C2(N)CC2)no1 ZINC000905325733 637753436 /nfs/dbraw/zinc/75/34/36/637753436.db2.gz XEEXEONPXQAKGN-SSDOTTSWSA-N 1 2 210.281 1.078 20 0 BDADLO [NH3+]C1(c2noc(-c3ccc(O)cc3F)n2)CC1 ZINC000905326600 637755322 /nfs/dbraw/zinc/75/53/22/637755322.db2.gz RNZQSTBSDFFPBN-UHFFFAOYSA-N 1 2 235.218 1.529 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCc1ccoc1)C(=O)OC ZINC000905776020 637906742 /nfs/dbraw/zinc/90/67/42/637906742.db2.gz ZTXZNIRHGSDNDH-PWSUYJOCSA-N 1 2 239.315 1.999 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+][C@H]1C[C@H](OC)C1)C(=O)OC ZINC000905774534 637929034 /nfs/dbraw/zinc/92/90/34/637929034.db2.gz PUFQYPNLUGMHOD-DBIOUOCHSA-N 1 2 229.320 1.341 20 0 BDADLO CC[C@@](O)(Cn1cc[nH+]c1)C(F)(F)F ZINC000905875820 637959229 /nfs/dbraw/zinc/95/92/29/637959229.db2.gz STEJJTZNMRCQIX-SSDOTTSWSA-N 1 2 208.183 1.587 20 0 BDADLO C[C@H]1CC[N@@H+]1CC[S@@](=O)C(F)(F)F ZINC000905975209 637990842 /nfs/dbraw/zinc/99/08/42/637990842.db2.gz PQMBVLAWODRFKV-DAZKTRTLSA-N 1 2 215.240 1.349 20 0 BDADLO C[C@H]1CC[N@H+]1CC[S@@](=O)C(F)(F)F ZINC000905975209 637990848 /nfs/dbraw/zinc/99/08/48/637990848.db2.gz PQMBVLAWODRFKV-DAZKTRTLSA-N 1 2 215.240 1.349 20 0 BDADLO C[C@@H]1CC[N@@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000905976013 637992653 /nfs/dbraw/zinc/99/26/53/637992653.db2.gz XAVZUTYIKVAEBX-LLVKDONJSA-N 1 2 245.388 1.828 20 0 BDADLO C[C@@H]1CC[N@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000905976013 637992657 /nfs/dbraw/zinc/99/26/57/637992657.db2.gz XAVZUTYIKVAEBX-LLVKDONJSA-N 1 2 245.388 1.828 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@H](C)O)c(C)[nH+]1 ZINC000906048093 638038023 /nfs/dbraw/zinc/03/80/23/638038023.db2.gz XLQQGUHEPJYSFY-VIFPVBQESA-N 1 2 222.288 1.117 20 0 BDADLO CCCC[NH2+][C@@H](CC(F)F)C(=O)OC ZINC000906527019 638191870 /nfs/dbraw/zinc/19/18/70/638191870.db2.gz CNPCQUDBCBXAMQ-ZETCQYMHSA-N 1 2 209.236 1.573 20 0 BDADLO COC(=O)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000906497919 638174408 /nfs/dbraw/zinc/17/44/08/638174408.db2.gz AQOOBHPWJPUSJZ-UHFFFAOYSA-N 1 2 247.254 1.144 20 0 BDADLO O=C1C[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CCCN1 ZINC000906590851 638214341 /nfs/dbraw/zinc/21/43/41/638214341.db2.gz MYHGEJSDTAWMCC-CHWSQXEVSA-N 1 2 248.301 1.504 20 0 BDADLO O=C1C[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CCCN1 ZINC000906590851 638214344 /nfs/dbraw/zinc/21/43/44/638214344.db2.gz MYHGEJSDTAWMCC-CHWSQXEVSA-N 1 2 248.301 1.504 20 0 BDADLO O=C1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CCCN1 ZINC000906590853 638215069 /nfs/dbraw/zinc/21/50/69/638215069.db2.gz MYHGEJSDTAWMCC-QWHCGFSZSA-N 1 2 248.301 1.504 20 0 BDADLO O=C1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CCCN1 ZINC000906590853 638215076 /nfs/dbraw/zinc/21/50/76/638215076.db2.gz MYHGEJSDTAWMCC-QWHCGFSZSA-N 1 2 248.301 1.504 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000906605703 638224575 /nfs/dbraw/zinc/22/45/75/638224575.db2.gz KASJKRSCBLNHTF-GFCCVEGCSA-N 1 2 248.326 1.868 20 0 BDADLO Cc1cc(C)c(C(=O)NCC(=O)C2CC2)c(C)[nH+]1 ZINC000907203072 638318685 /nfs/dbraw/zinc/31/86/85/638318685.db2.gz YFXZSNAFPVACLQ-UHFFFAOYSA-N 1 2 246.310 1.716 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000907378316 638367788 /nfs/dbraw/zinc/36/77/88/638367788.db2.gz YHNDRGHBXZSJJP-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CCCn1ccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000907685614 638445197 /nfs/dbraw/zinc/44/51/97/638445197.db2.gz JJCIJXZFIZDHCJ-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1NC(=O)Cn1cc[nH+]c1 ZINC000907987153 638537593 /nfs/dbraw/zinc/53/75/93/638537593.db2.gz JLPZERSDDIFCJX-GHMZBOCLSA-N 1 2 236.319 1.177 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCc1c[nH+]cn1C ZINC000908257706 638624327 /nfs/dbraw/zinc/62/43/27/638624327.db2.gz FPYFQOXLYJQMHT-UHFFFAOYSA-N 1 2 237.303 1.042 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927486295 638655067 /nfs/dbraw/zinc/65/50/67/638655067.db2.gz GLPLXYAWHSENCY-DMDPSCGWSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927486295 638655068 /nfs/dbraw/zinc/65/50/68/638655068.db2.gz GLPLXYAWHSENCY-DMDPSCGWSA-N 1 2 247.342 1.895 20 0 BDADLO CCc1nc(C)c(CNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000908371297 638671085 /nfs/dbraw/zinc/67/10/85/638671085.db2.gz LITMZVGGJBJRBX-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO C[C@H](F)CCNC(=O)CNc1cccc[nH+]1 ZINC000908423783 638704302 /nfs/dbraw/zinc/70/43/02/638704302.db2.gz KTNJGLWOJQYYBV-VIFPVBQESA-N 1 2 225.267 1.358 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000908551045 639011533 /nfs/dbraw/zinc/01/15/33/639011533.db2.gz MHIASGDCPPPWHC-SNVBAGLBSA-N 1 2 249.314 1.177 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757839 639061444 /nfs/dbraw/zinc/06/14/44/639061444.db2.gz CYFNOEKEFSMSEN-RUIVOMMDSA-N 1 2 225.679 1.067 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000909199774 639171390 /nfs/dbraw/zinc/17/13/90/639171390.db2.gz NCZNCBHRHPRFSE-RYUDHWBXSA-N 1 2 247.342 1.902 20 0 BDADLO CCn1cc([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000909285900 639196245 /nfs/dbraw/zinc/19/62/45/639196245.db2.gz QGFRBLMSRDSBJI-VIFPVBQESA-N 1 2 247.302 1.046 20 0 BDADLO CO[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC000909913026 639257565 /nfs/dbraw/zinc/25/75/65/639257565.db2.gz ZVFOWOXPDOZJHN-MNOVXSKESA-N 1 2 249.314 1.026 20 0 BDADLO Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000910077455 639367935 /nfs/dbraw/zinc/36/79/35/639367935.db2.gz WPLHRJKRFMWEKS-QMMMGPOBSA-N 1 2 247.302 1.100 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2CC(C)C2)no1 ZINC000930241669 639648427 /nfs/dbraw/zinc/64/84/27/639648427.db2.gz MWTPVFFMQUSPJN-UHFFFAOYSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@H+](C)CC2CC(C)C2)no1 ZINC000930241669 639648432 /nfs/dbraw/zinc/64/84/32/639648432.db2.gz MWTPVFFMQUSPJN-UHFFFAOYSA-N 1 2 209.293 1.856 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1noc2c1COCC2 ZINC000930274033 639675389 /nfs/dbraw/zinc/67/53/89/639675389.db2.gz UBFZCGWYRJZJMY-DTORHVGOSA-N 1 2 222.288 1.730 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1noc2c1COCC2 ZINC000930274033 639675398 /nfs/dbraw/zinc/67/53/98/639675398.db2.gz UBFZCGWYRJZJMY-DTORHVGOSA-N 1 2 222.288 1.730 20 0 BDADLO CCCNC(=S)N[C@H](C)Cn1cc[nH+]c1 ZINC000044138901 639694573 /nfs/dbraw/zinc/69/45/73/639694573.db2.gz IZORJOWGEKJJEW-SECBINFHSA-N 1 2 226.349 1.146 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000930341614 639717082 /nfs/dbraw/zinc/71/70/82/639717082.db2.gz BZJQCKWENSZEJI-VIFPVBQESA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000930341614 639717087 /nfs/dbraw/zinc/71/70/87/639717087.db2.gz BZJQCKWENSZEJI-VIFPVBQESA-N 1 2 221.247 1.131 20 0 BDADLO COC/C(C)=C/C[N@@H+]1Cc2ccncc2C1 ZINC000930462622 639765605 /nfs/dbraw/zinc/76/56/05/639765605.db2.gz MBVNBYZUHHZGED-NYYWCZLTSA-N 1 2 218.300 1.990 20 0 BDADLO COC/C(C)=C/C[N@H+]1Cc2ccncc2C1 ZINC000930462622 639765610 /nfs/dbraw/zinc/76/56/10/639765610.db2.gz MBVNBYZUHHZGED-NYYWCZLTSA-N 1 2 218.300 1.990 20 0 BDADLO O[C@H](C[N@@H+]1Cc2ccncc2C1)C1(O)CCCC1 ZINC000930463546 639766281 /nfs/dbraw/zinc/76/62/81/639766281.db2.gz ZWHVMSPKCWVQJO-CYBMUJFWSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@H](C[N@H+]1Cc2ccncc2C1)C1(O)CCCC1 ZINC000930463546 639766284 /nfs/dbraw/zinc/76/62/84/639766284.db2.gz ZWHVMSPKCWVQJO-CYBMUJFWSA-N 1 2 248.326 1.063 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H](c3ccncc3)C2)s1 ZINC000930517371 639795895 /nfs/dbraw/zinc/79/58/95/639795895.db2.gz WFLLCRYSAVCJHT-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H](c3ccncc3)C2)s1 ZINC000930517371 639795906 /nfs/dbraw/zinc/79/59/06/639795906.db2.gz WFLLCRYSAVCJHT-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO CON1CC[C@H]([N@H+](C)Cc2occc2C)C1=O ZINC000930554547 639810224 /nfs/dbraw/zinc/81/02/24/639810224.db2.gz NIYGBJZXCJGOOJ-JTQLQIEISA-N 1 2 238.287 1.182 20 0 BDADLO CON1CC[C@H]([N@@H+](C)Cc2occc2C)C1=O ZINC000930554547 639810225 /nfs/dbraw/zinc/81/02/25/639810225.db2.gz NIYGBJZXCJGOOJ-JTQLQIEISA-N 1 2 238.287 1.182 20 0 BDADLO C[C@H]1C[N@H+](Cc2noc3c2COCC3)[C@H]1C ZINC000930581918 639813707 /nfs/dbraw/zinc/81/37/07/639813707.db2.gz KANVJHFIVMKBLC-IUCAKERBSA-N 1 2 222.288 1.588 20 0 BDADLO C[C@H]1C[N@@H+](Cc2noc3c2COCC3)[C@H]1C ZINC000930581918 639813708 /nfs/dbraw/zinc/81/37/08/639813708.db2.gz KANVJHFIVMKBLC-IUCAKERBSA-N 1 2 222.288 1.588 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)CC(C)(C)CO ZINC000930607095 639818891 /nfs/dbraw/zinc/81/88/91/639818891.db2.gz URVJGZGRJYYACV-UHFFFAOYSA-N 1 2 244.285 1.810 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)CC(C)(C)CO ZINC000930607095 639818892 /nfs/dbraw/zinc/81/88/92/639818892.db2.gz URVJGZGRJYYACV-UHFFFAOYSA-N 1 2 244.285 1.810 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC[C@H](F)C1 ZINC000911925026 639880916 /nfs/dbraw/zinc/88/09/16/639880916.db2.gz DDHININAAZACQO-JTQLQIEISA-N 1 2 237.278 1.454 20 0 BDADLO COC(CC[NH2+][C@@]1(C)CC(C)(C)OC1=O)OC ZINC000930875882 639966215 /nfs/dbraw/zinc/96/62/15/639966215.db2.gz ZWWKDNPIOZOFJH-LBPRGKRZSA-N 1 2 245.319 1.069 20 0 BDADLO CC(C)[C@H](O)CC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930879786 639967388 /nfs/dbraw/zinc/96/73/88/639967388.db2.gz KPHPKYPEAOXCBL-ZWNOBZJWSA-N 1 2 243.347 1.467 20 0 BDADLO CSCCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930878327 639967964 /nfs/dbraw/zinc/96/79/64/639967964.db2.gz XGBVGQNZPBEURV-NSHDSACASA-N 1 2 231.361 1.813 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000930967254 640005484 /nfs/dbraw/zinc/00/54/84/640005484.db2.gz GGXAMQRKRDCALT-WMZJFQQLSA-N 1 2 239.315 1.217 20 0 BDADLO COC/C(C)=C\C[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000930967254 640005489 /nfs/dbraw/zinc/00/54/89/640005489.db2.gz GGXAMQRKRDCALT-WMZJFQQLSA-N 1 2 239.315 1.217 20 0 BDADLO CC[C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912382006 640035948 /nfs/dbraw/zinc/03/59/48/640035948.db2.gz AVKSJFZELZOPGJ-VIFPVBQESA-N 1 2 209.293 1.505 20 0 BDADLO c1nnc([C@@H]2CCC[N@H+]2CCc2ccccn2)[nH]1 ZINC000931133556 640071409 /nfs/dbraw/zinc/07/14/09/640071409.db2.gz FKTGANXKTUXKMT-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1nnc([C@@H]2CCC[N@@H+]2CCc2ccccn2)[nH]1 ZINC000931133556 640071416 /nfs/dbraw/zinc/07/14/16/640071416.db2.gz FKTGANXKTUXKMT-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO CCSCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931133468 640072962 /nfs/dbraw/zinc/07/29/62/640072962.db2.gz BMVDCBMZYLGDPW-VIFPVBQESA-N 1 2 226.349 1.695 20 0 BDADLO CCSCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931133468 640072968 /nfs/dbraw/zinc/07/29/68/640072968.db2.gz BMVDCBMZYLGDPW-VIFPVBQESA-N 1 2 226.349 1.695 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCc2ccccc21 ZINC000912466436 640073024 /nfs/dbraw/zinc/07/30/24/640073024.db2.gz VPOKKNWEOMYHEM-CYBMUJFWSA-N 1 2 241.294 1.756 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140637 640075525 /nfs/dbraw/zinc/07/55/25/640075525.db2.gz RNKGIDOCZZIKGU-UWVGGRQHSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140637 640075530 /nfs/dbraw/zinc/07/55/30/640075530.db2.gz RNKGIDOCZZIKGU-UWVGGRQHSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)C[C@@H](C)[N@H+](C)C1CS(=O)(=O)C1 ZINC000931234963 640108459 /nfs/dbraw/zinc/10/84/59/640108459.db2.gz CMRIEVHOCJSLRI-SECBINFHSA-N 1 2 219.350 1.150 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931234963 640108463 /nfs/dbraw/zinc/10/84/63/640108463.db2.gz CMRIEVHOCJSLRI-SECBINFHSA-N 1 2 219.350 1.150 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912583753 640120340 /nfs/dbraw/zinc/12/03/40/640120340.db2.gz FGPOXPYQSIKBRD-IPQKIJNHSA-N 1 2 223.251 1.708 20 0 BDADLO CC(NC(=O)Cc1c[nH]c[nH+]1)(C1CC1)C1CC1 ZINC000912693450 640169959 /nfs/dbraw/zinc/16/99/59/640169959.db2.gz XLIXZTUPLZXXEA-UHFFFAOYSA-N 1 2 233.315 1.647 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]2C(F)F)C1 ZINC000931424840 640193686 /nfs/dbraw/zinc/19/36/86/640193686.db2.gz BUHPZEAFOMOASP-IWSPIJDZSA-N 1 2 205.248 1.893 20 0 BDADLO CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]2C(F)F)C1 ZINC000931424840 640193691 /nfs/dbraw/zinc/19/36/91/640193691.db2.gz BUHPZEAFOMOASP-IWSPIJDZSA-N 1 2 205.248 1.893 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CC[C@H]2C(F)F)CCO1 ZINC000931427754 640197227 /nfs/dbraw/zinc/19/72/27/640197227.db2.gz YXGZEVDSFUHHQR-ZJUUUORDSA-N 1 2 234.290 1.047 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CC[C@H]2C(F)F)CCO1 ZINC000931427754 640197230 /nfs/dbraw/zinc/19/72/30/640197230.db2.gz YXGZEVDSFUHHQR-ZJUUUORDSA-N 1 2 234.290 1.047 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)s1 ZINC000931547210 640265350 /nfs/dbraw/zinc/26/53/50/640265350.db2.gz DZZABQNTXZZWLP-DTWKUNHWSA-N 1 2 241.385 1.723 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)s1 ZINC000931547210 640265352 /nfs/dbraw/zinc/26/53/52/640265352.db2.gz DZZABQNTXZZWLP-DTWKUNHWSA-N 1 2 241.385 1.723 20 0 BDADLO O=C(Nc1ccns1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000913057526 640295955 /nfs/dbraw/zinc/29/59/55/640295955.db2.gz OOSGXUQMUSGYKQ-SECBINFHSA-N 1 2 237.328 1.708 20 0 BDADLO O=C(Nc1ccns1)[C@H]1CCC[N@H+]1C1CC1 ZINC000913057526 640295962 /nfs/dbraw/zinc/29/59/62/640295962.db2.gz OOSGXUQMUSGYKQ-SECBINFHSA-N 1 2 237.328 1.708 20 0 BDADLO CC1(C(=O)CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000913164800 640321471 /nfs/dbraw/zinc/32/14/71/640321471.db2.gz UWAKXGHJZAHSRX-UHFFFAOYSA-N 1 2 249.314 1.218 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccns1 ZINC000913338007 640355284 /nfs/dbraw/zinc/35/52/84/640355284.db2.gz UNRVMARUMNFROL-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO CC/C(C)=C/C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452600 640372578 /nfs/dbraw/zinc/37/25/78/640372578.db2.gz CONQWVIQCBKYBO-JXPAYYINSA-N 1 2 248.330 1.239 20 0 BDADLO O=C(CCC1CC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448503 640373278 /nfs/dbraw/zinc/37/32/78/640373278.db2.gz VCMZRJVUFVWARP-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)no1 ZINC000931940586 640398997 /nfs/dbraw/zinc/39/89/97/640398997.db2.gz MPOZEKKLCVTGEK-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)no1 ZINC000931940586 640399005 /nfs/dbraw/zinc/39/90/05/640399005.db2.gz MPOZEKKLCVTGEK-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO CN(Cc1c[nH+]cn1C)C1(C(F)(F)F)CC1 ZINC000932302558 640473911 /nfs/dbraw/zinc/47/39/11/640473911.db2.gz UQQRQOOVPIXZNS-UHFFFAOYSA-N 1 2 233.237 1.947 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932334517 640476416 /nfs/dbraw/zinc/47/64/16/640476416.db2.gz GKBJTKJDKSRTPA-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932334517 640476417 /nfs/dbraw/zinc/47/64/17/640476417.db2.gz GKBJTKJDKSRTPA-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@H](C)CC2)nc1 ZINC000932348319 640490387 /nfs/dbraw/zinc/49/03/87/640490387.db2.gz RWDAKLDBBSPCBD-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@H](C)CC2)nc1 ZINC000932348319 640490389 /nfs/dbraw/zinc/49/03/89/640490389.db2.gz RWDAKLDBBSPCBD-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC000932350443 640493551 /nfs/dbraw/zinc/49/35/51/640493551.db2.gz LQPGTBNJXARQLP-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCO[C@@H](C)CC2)n1 ZINC000932350443 640493555 /nfs/dbraw/zinc/49/35/55/640493555.db2.gz LQPGTBNJXARQLP-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000164703468 640502487 /nfs/dbraw/zinc/50/24/87/640502487.db2.gz BCKWJOXSVXKPTB-UTLUCORTSA-N 1 2 231.336 1.466 20 0 BDADLO CCC(=O)NC1C[NH+](Cc2cccc(CC)c2)C1 ZINC001030041873 640535867 /nfs/dbraw/zinc/53/58/67/640535867.db2.gz ROXVUUMTLNTASH-UHFFFAOYSA-N 1 2 246.354 1.959 20 0 BDADLO CCC(=O)NC1C[NH+](Cc2ccc(C)cc2)C1 ZINC001030041302 640537471 /nfs/dbraw/zinc/53/74/71/640537471.db2.gz KEGPXPFRNRDEJR-UHFFFAOYSA-N 1 2 232.327 1.705 20 0 BDADLO CCn1cc(C[N@@H+]2CCn3cccc3C2)nn1 ZINC000932525834 640564085 /nfs/dbraw/zinc/56/40/85/640564085.db2.gz HTLZSRAKBKHXFO-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1cc(C[N@H+]2CCn3cccc3C2)nn1 ZINC000932525834 640564089 /nfs/dbraw/zinc/56/40/89/640564089.db2.gz HTLZSRAKBKHXFO-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO Cn1nccc1C[N@@H+]1CCn2cccc2C1 ZINC000932527107 640565267 /nfs/dbraw/zinc/56/52/67/640565267.db2.gz XBYGXOWIDAGBEH-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1nccc1C[N@H+]1CCn2cccc2C1 ZINC000932527107 640565273 /nfs/dbraw/zinc/56/52/73/640565273.db2.gz XBYGXOWIDAGBEH-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CCCCC2)C1 ZINC001030065088 640569448 /nfs/dbraw/zinc/56/94/48/640569448.db2.gz NEVBDBATCMFKOP-UHFFFAOYSA-N 1 2 210.321 1.387 20 0 BDADLO COCC[NH+]1CC(NC(=O)c2cccc(C)c2)C1 ZINC001030066249 640569502 /nfs/dbraw/zinc/56/95/02/640569502.db2.gz FPHOCGQIYJSIJM-UHFFFAOYSA-N 1 2 248.326 1.055 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(C)c2)C1 ZINC001030073046 640578671 /nfs/dbraw/zinc/57/86/71/640578671.db2.gz HZMAMKQJKWAWIB-UHFFFAOYSA-N 1 2 218.300 1.429 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602028 640584274 /nfs/dbraw/zinc/58/42/74/640584274.db2.gz FGKRNDZFINEJLF-AWEZNQCLSA-N 1 2 249.358 1.593 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602028 640584280 /nfs/dbraw/zinc/58/42/80/640584280.db2.gz FGKRNDZFINEJLF-AWEZNQCLSA-N 1 2 249.358 1.593 20 0 BDADLO CC(C)C[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000224289736 640607917 /nfs/dbraw/zinc/60/79/17/640607917.db2.gz FZKZTDXJFDDHBC-SECBINFHSA-N 1 2 249.318 1.182 20 0 BDADLO C=CC[C@H](C(=O)OC)[NH+](CC=C)CC=C ZINC000036448778 640640516 /nfs/dbraw/zinc/64/05/16/640640516.db2.gz YVWHBYFYIYXLQT-LLVKDONJSA-N 1 2 209.289 1.778 20 0 BDADLO COC/C(C)=C\C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000933150048 640670433 /nfs/dbraw/zinc/67/04/33/640670433.db2.gz PKJGWULJJAPSGY-SDKXAQGSSA-N 1 2 229.320 1.366 20 0 BDADLO CCOCC[N@@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933156210 640670994 /nfs/dbraw/zinc/67/09/94/640670994.db2.gz DUHJETKQRJIXGE-PWSUYJOCSA-N 1 2 227.304 1.050 20 0 BDADLO CCOCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933156210 640670999 /nfs/dbraw/zinc/67/09/99/640670999.db2.gz DUHJETKQRJIXGE-PWSUYJOCSA-N 1 2 227.304 1.050 20 0 BDADLO CCc1occc1C(=O)NC1C[NH+](CC)C1 ZINC001030264557 640715120 /nfs/dbraw/zinc/71/51/20/640715120.db2.gz FZORJBBHKZGDPF-UHFFFAOYSA-N 1 2 222.288 1.276 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001030296557 640736692 /nfs/dbraw/zinc/73/66/92/640736692.db2.gz ACCRAULLIKDZII-UWVGGRQHSA-N 1 2 228.311 1.335 20 0 BDADLO CNc1cc(NC[C@@H](O)CC(C)C)[nH+]cn1 ZINC000226303827 640746218 /nfs/dbraw/zinc/74/62/18/640746218.db2.gz AIVAEIVAGYGDAZ-VIFPVBQESA-N 1 2 224.308 1.337 20 0 BDADLO CCNC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046467447 640771425 /nfs/dbraw/zinc/77/14/25/640771425.db2.gz SOPRZMUCMFNPBV-JTQLQIEISA-N 1 2 238.335 1.617 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933869478 640777506 /nfs/dbraw/zinc/77/75/06/640777506.db2.gz CCLNLRBLLIREJU-LLVKDONJSA-N 1 2 236.319 1.386 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933869478 640777508 /nfs/dbraw/zinc/77/75/08/640777508.db2.gz CCLNLRBLLIREJU-LLVKDONJSA-N 1 2 236.319 1.386 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933870165 640777513 /nfs/dbraw/zinc/77/75/13/640777513.db2.gz IOJLKVVGDZDEOM-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO O=C1OCC[C@H]1[NH2+][C@H]1CCOC12CCCCC2 ZINC000933877738 640779781 /nfs/dbraw/zinc/77/97/81/640779781.db2.gz GYMAEGMLRNBTKL-MNOVXSKESA-N 1 2 239.315 1.383 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)nc1 ZINC000933967929 640797238 /nfs/dbraw/zinc/79/72/38/640797238.db2.gz VFUNHUUOGKJREU-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)nc1 ZINC000933967929 640797242 /nfs/dbraw/zinc/79/72/42/640797242.db2.gz VFUNHUUOGKJREU-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO CCCNc1cc(N[C@@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000228274695 640867879 /nfs/dbraw/zinc/86/78/79/640867879.db2.gz GOLDYBQGVAWITI-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@@H](C)C[C@@H](C)O)[nH+]cn1 ZINC000228274695 640867882 /nfs/dbraw/zinc/86/78/82/640867882.db2.gz GOLDYBQGVAWITI-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)C(F)F ZINC000230209845 641038035 /nfs/dbraw/zinc/03/80/35/641038035.db2.gz GVMPOICWWBNGQH-RQJHMYQMSA-N 1 2 209.236 1.381 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)[nH+]cn2)CCO1 ZINC000087812930 641051018 /nfs/dbraw/zinc/05/10/18/641051018.db2.gz AEVLEXMTFOBLIY-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CC[C@@H]1CN(c2cc(NC)nc[nH+]2)CCO1 ZINC000087812930 641051022 /nfs/dbraw/zinc/05/10/22/641051022.db2.gz AEVLEXMTFOBLIY-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CC[C@H]([NH2+][C@H](C)Cc1cccnc1)C(=O)OC ZINC000934231236 641108406 /nfs/dbraw/zinc/10/84/06/641108406.db2.gz NYQRXTKZZGCOPV-PWSUYJOCSA-N 1 2 236.315 1.554 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934234381 641112131 /nfs/dbraw/zinc/11/21/31/641112131.db2.gz LRDUMRFUVVHVEV-QWRGUYRKSA-N 1 2 236.315 1.554 20 0 BDADLO C[C@@H]1CSCCC[N@@H+]1Cc1nncs1 ZINC000934296452 641117204 /nfs/dbraw/zinc/11/72/04/641117204.db2.gz HUOLJOOSZDCQOH-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CSCCC[N@H+]1Cc1nncs1 ZINC000934296452 641117210 /nfs/dbraw/zinc/11/72/10/641117210.db2.gz HUOLJOOSZDCQOH-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CSCCC[N@@H+]1CCc1cnn[nH]1 ZINC000934297982 641120316 /nfs/dbraw/zinc/12/03/16/641120316.db2.gz QKLOFOJYQWWUHU-SECBINFHSA-N 1 2 226.349 1.175 20 0 BDADLO C[C@@H]1CSCCC[N@H+]1CCc1cnn[nH]1 ZINC000934297982 641120319 /nfs/dbraw/zinc/12/03/19/641120319.db2.gz QKLOFOJYQWWUHU-SECBINFHSA-N 1 2 226.349 1.175 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)CCCO1 ZINC000231280709 641150037 /nfs/dbraw/zinc/15/00/37/641150037.db2.gz PWSLGYLMNRHKOJ-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)CCCO1 ZINC000231280709 641150046 /nfs/dbraw/zinc/15/00/46/641150046.db2.gz PWSLGYLMNRHKOJ-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231285257 641153614 /nfs/dbraw/zinc/15/36/14/641153614.db2.gz HMAKWAZSFMSEFA-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231285257 641153617 /nfs/dbraw/zinc/15/36/17/641153617.db2.gz HMAKWAZSFMSEFA-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO COC(=O)[C@](C)(Cn1cccn1)[NH2+]CC(C)C ZINC000934711614 641252777 /nfs/dbraw/zinc/25/27/77/641252777.db2.gz TZKDNQMDLMAYDR-LBPRGKRZSA-N 1 2 239.319 1.060 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CCC[C@H](C)O ZINC000934820408 641282375 /nfs/dbraw/zinc/28/23/75/641282375.db2.gz OQGGJTCYGKXNDW-JTQLQIEISA-N 1 2 231.336 1.467 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)c(C)cn2)C1 ZINC001030716339 641319184 /nfs/dbraw/zinc/31/91/84/641319184.db2.gz AVNXJSPKCXMWLE-UHFFFAOYSA-N 1 2 233.315 1.132 20 0 BDADLO CO[C@](C)(c1noc([C@H](C)[NH+](C)C)n1)C1CC1 ZINC000350433174 641326883 /nfs/dbraw/zinc/32/68/83/641326883.db2.gz DFMXLWZCYPTJNW-UFBFGSQYSA-N 1 2 239.319 1.964 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(F)ccc2C)C1 ZINC001030759576 641337158 /nfs/dbraw/zinc/33/71/58/641337158.db2.gz UAKVVCPROVAHNP-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO CC[C@](C)(CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935105477 641339802 /nfs/dbraw/zinc/33/98/02/641339802.db2.gz YYCDYNATJWZFTE-CYBMUJFWSA-N 1 2 247.298 1.454 20 0 BDADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030796983 641356994 /nfs/dbraw/zinc/35/69/94/641356994.db2.gz MDKWBTYLOYUSNC-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001030819943 641368337 /nfs/dbraw/zinc/36/83/37/641368337.db2.gz WKZGEXUKCRCDQW-URLYPYJESA-N 1 2 240.322 1.193 20 0 BDADLO C[C@@H](c1nc(Cc2c[nH+]cn2C)no1)N(C)C ZINC000350606644 641373459 /nfs/dbraw/zinc/37/34/59/641373459.db2.gz MTWBFXNKLBJPAS-QMMMGPOBSA-N 1 2 235.291 1.017 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCC1(C)CC1 ZINC000935329215 641387464 /nfs/dbraw/zinc/38/74/64/641387464.db2.gz IDHBPQNSAAMJMJ-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CCC(OC)CC2)C1 ZINC001030870638 641393770 /nfs/dbraw/zinc/39/37/70/641393770.db2.gz KRAFJCNCINSMHQ-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO COc1nnc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)s1 ZINC000929698010 641404920 /nfs/dbraw/zinc/40/49/20/641404920.db2.gz YIGOZDMLHNXVQS-YUMQZZPRSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2C[C@@H](C)C[C@@H]2C)s1 ZINC000929698010 641404927 /nfs/dbraw/zinc/40/49/27/641404927.db2.gz YIGOZDMLHNXVQS-YUMQZZPRSA-N 1 2 227.333 1.777 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C=CCC1 ZINC000935488772 641418177 /nfs/dbraw/zinc/41/81/77/641418177.db2.gz PVGJTRKKJYNYQY-SMDDNHRTSA-N 1 2 245.326 1.670 20 0 BDADLO CS(C)(=O)=NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000913639305 641441414 /nfs/dbraw/zinc/44/14/14/641441414.db2.gz UTNCTESJPRGGDX-VHSXEESVSA-N 1 2 244.360 1.258 20 0 BDADLO CS(C)(=O)=NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000913639305 641441417 /nfs/dbraw/zinc/44/14/17/641441417.db2.gz UTNCTESJPRGGDX-VHSXEESVSA-N 1 2 244.360 1.258 20 0 BDADLO CC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935667749 641457952 /nfs/dbraw/zinc/45/79/52/641457952.db2.gz UYFNNFNQIWWRBL-UHFFFAOYSA-N 1 2 215.256 1.655 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000913797844 641479773 /nfs/dbraw/zinc/47/97/73/641479773.db2.gz FQGUFLYEJUTAQO-DLOVCJGASA-N 1 2 249.314 1.026 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC=CC1 ZINC000935923424 641502970 /nfs/dbraw/zinc/50/29/70/641502970.db2.gz SDCKFHMZTIONLL-LLVKDONJSA-N 1 2 245.326 1.670 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000319664533 641603269 /nfs/dbraw/zinc/60/32/69/641603269.db2.gz OTFXZNYFBMHFLV-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO CC1(CNC(=O)Cc2[nH]cc[nH+]2)CC(F)(F)C1 ZINC000914354712 641644121 /nfs/dbraw/zinc/64/41/21/641644121.db2.gz PBBGRHUCJNEJHK-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000158856050 641654012 /nfs/dbraw/zinc/65/40/12/641654012.db2.gz HZAQDONFHABSDY-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000158856050 641654019 /nfs/dbraw/zinc/65/40/19/641654019.db2.gz HZAQDONFHABSDY-MRVPVSSYSA-N 1 2 227.308 1.180 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000159333812 641677832 /nfs/dbraw/zinc/67/78/32/641677832.db2.gz PZNLSTSJYUKWLU-JTQLQIEISA-N 1 2 249.270 1.391 20 0 BDADLO C[C@H]1[C@H](NC(=O)C(C)(C)F)CCC[N@@H+]1CCF ZINC000992975079 641689961 /nfs/dbraw/zinc/68/99/61/641689961.db2.gz YDNIVPAQQCTSBH-VHSXEESVSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@H]1[C@H](NC(=O)C(C)(C)F)CCC[N@H+]1CCF ZINC000992975079 641689966 /nfs/dbraw/zinc/68/99/66/641689966.db2.gz YDNIVPAQQCTSBH-VHSXEESVSA-N 1 2 248.317 1.673 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CC[C@@H](C)O ZINC000075778804 641769214 /nfs/dbraw/zinc/76/92/14/641769214.db2.gz DWNMZKJFXOHNFG-SNVBAGLBSA-N 1 2 217.309 1.032 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000075778804 641769223 /nfs/dbraw/zinc/76/92/23/641769223.db2.gz DWNMZKJFXOHNFG-SNVBAGLBSA-N 1 2 217.309 1.032 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000076497827 641813930 /nfs/dbraw/zinc/81/39/30/641813930.db2.gz NWTNKRVZHGEDDB-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000076497827 641813935 /nfs/dbraw/zinc/81/39/35/641813935.db2.gz NWTNKRVZHGEDDB-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(Cl)c2)C1 ZINC001031298451 641874975 /nfs/dbraw/zinc/87/49/75/641874975.db2.gz GSAJAIRYPYZNPU-UHFFFAOYSA-N 1 2 238.718 1.774 20 0 BDADLO CC[NH+]1CCN(C(=O)c2occc2Cl)CC1 ZINC000950089167 641889632 /nfs/dbraw/zinc/88/96/32/641889632.db2.gz ZAJFSAWCYRYZIN-UHFFFAOYSA-N 1 2 242.706 1.711 20 0 BDADLO CC(=O)OCCSc1[nH+]cc2ccccn21 ZINC000916103722 641903488 /nfs/dbraw/zinc/90/34/88/641903488.db2.gz MKKXZVSZTXTJNE-UHFFFAOYSA-N 1 2 236.296 1.990 20 0 BDADLO C[N@@H+]1CCC[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000916538335 641943982 /nfs/dbraw/zinc/94/39/82/641943982.db2.gz BFZUNWTVVTUMLZ-SECBINFHSA-N 1 2 238.360 1.868 20 0 BDADLO C[N@H+]1CCC[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000916538335 641943984 /nfs/dbraw/zinc/94/39/84/641943984.db2.gz BFZUNWTVVTUMLZ-SECBINFHSA-N 1 2 238.360 1.868 20 0 BDADLO CC(C)CONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000154214972 641982122 /nfs/dbraw/zinc/98/21/22/641982122.db2.gz BSASQPYUEUJXRT-JTQLQIEISA-N 1 2 237.303 1.149 20 0 BDADLO CC(C)c1noc(OCc2ccc(N)[nH+]c2)n1 ZINC000917008080 641991355 /nfs/dbraw/zinc/99/13/55/641991355.db2.gz WZYGUVPXTAFHPH-UHFFFAOYSA-N 1 2 234.259 1.749 20 0 BDADLO CC[NH+]1CC(NC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001031451955 642170278 /nfs/dbraw/zinc/17/02/78/642170278.db2.gz AFVGUCLAIRFOSU-GHMZBOCLSA-N 1 2 238.375 1.879 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001031468000 642182312 /nfs/dbraw/zinc/18/23/12/642182312.db2.gz JIJKECXICDMJIC-RYUDHWBXSA-N 1 2 240.347 1.012 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001031463600 642182726 /nfs/dbraw/zinc/18/27/26/642182726.db2.gz XACROOYPNJNOOU-NVRFYQKYSA-N 1 2 234.343 1.099 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@H]1CCC[C@@H]1O ZINC000930094968 642383421 /nfs/dbraw/zinc/38/34/21/642383421.db2.gz APZZDAIPJAFSPG-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@H]1CCC[C@@H]1O ZINC000930094968 642383426 /nfs/dbraw/zinc/38/34/26/642383426.db2.gz APZZDAIPJAFSPG-BDAKNGLRSA-N 1 2 227.333 1.131 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ccns1)C2 ZINC000933253253 642418829 /nfs/dbraw/zinc/41/88/29/642418829.db2.gz ONCWRLYZSUUHAT-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000891399160 642467246 /nfs/dbraw/zinc/46/72/46/642467246.db2.gz JSKYEIRLYDCKEF-SNVBAGLBSA-N 1 2 216.288 1.966 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000891401712 642471261 /nfs/dbraw/zinc/47/12/61/642471261.db2.gz IJDDZUVDQBWSAM-PHIMTYICSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000891401712 642471264 /nfs/dbraw/zinc/47/12/64/642471264.db2.gz IJDDZUVDQBWSAM-PHIMTYICSA-N 1 2 237.347 1.821 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000921378653 642605487 /nfs/dbraw/zinc/60/54/87/642605487.db2.gz DUTPZYDEWDPAJM-WCFLWFBJSA-N 1 2 247.342 1.658 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](CC)CO)C(=O)OC ZINC000233039672 642646858 /nfs/dbraw/zinc/64/68/58/642646858.db2.gz LEFQKLIYDADFAV-VHSXEESVSA-N 1 2 217.309 1.079 20 0 BDADLO CCCNc1cc(NCc2ncn(C)n2)nc[nH+]1 ZINC000233205140 642653521 /nfs/dbraw/zinc/65/35/21/642653521.db2.gz IDCRUXXBNHQTMP-UHFFFAOYSA-N 1 2 247.306 1.039 20 0 BDADLO CCCNc1cc(NCc2ncn(C)n2)[nH+]cn1 ZINC000233205140 642653525 /nfs/dbraw/zinc/65/35/25/642653525.db2.gz IDCRUXXBNHQTMP-UHFFFAOYSA-N 1 2 247.306 1.039 20 0 BDADLO C[C@@H]1CC[N@H+](CCF)C[C@@H]1NC(=O)C(F)F ZINC000964597431 642759528 /nfs/dbraw/zinc/75/95/28/642759528.db2.gz KLWXBIMVZFTSLI-SFYZADRCSA-N 1 2 238.253 1.048 20 0 BDADLO C[C@@H]1CC[N@@H+](CCF)C[C@@H]1NC(=O)C(F)F ZINC000964597431 642759529 /nfs/dbraw/zinc/75/95/29/642759529.db2.gz KLWXBIMVZFTSLI-SFYZADRCSA-N 1 2 238.253 1.048 20 0 BDADLO C[C@@H]1CC[N@H+](CCF)C[C@H]1NC(=O)C(C)(C)F ZINC000964624757 642762159 /nfs/dbraw/zinc/76/21/59/642762159.db2.gz YJTORUDIIMMBHT-NXEZZACHSA-N 1 2 248.317 1.531 20 0 BDADLO C[C@@H]1CC[N@@H+](CCF)C[C@H]1NC(=O)C(C)(C)F ZINC000964624757 642762173 /nfs/dbraw/zinc/76/21/73/642762173.db2.gz YJTORUDIIMMBHT-NXEZZACHSA-N 1 2 248.317 1.531 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H](C)C1CC1 ZINC000181636535 642889669 /nfs/dbraw/zinc/88/96/69/642889669.db2.gz IMZYCVCBBKMHIV-QWRGUYRKSA-N 1 2 241.331 1.296 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)C1(F)CCCC1 ZINC001015024758 642894921 /nfs/dbraw/zinc/89/49/21/642894921.db2.gz DBXZDIJKZZXGPV-JTQLQIEISA-N 1 2 246.301 1.429 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)C1(F)CCCC1 ZINC001015024758 642894927 /nfs/dbraw/zinc/89/49/27/642894927.db2.gz DBXZDIJKZZXGPV-JTQLQIEISA-N 1 2 246.301 1.429 20 0 BDADLO FC(F)(F)OCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353682937 642926369 /nfs/dbraw/zinc/92/63/69/642926369.db2.gz PKVOXHGCZPYHGS-QMMMGPOBSA-N 1 2 249.236 1.913 20 0 BDADLO CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018879171 643012928 /nfs/dbraw/zinc/01/29/28/643012928.db2.gz ZRTYXPDDCZYFPO-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001018879171 643012936 /nfs/dbraw/zinc/01/29/36/643012936.db2.gz ZRTYXPDDCZYFPO-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO COC(OC)[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000070622846 643048013 /nfs/dbraw/zinc/04/80/13/643048013.db2.gz NCDUFFYUZFNDSW-MRVPVSSYSA-N 1 2 214.265 1.080 20 0 BDADLO Cc1nn(C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000183266816 643101147 /nfs/dbraw/zinc/10/11/47/643101147.db2.gz YEFDQDOXEZTXFR-UHFFFAOYSA-N 1 2 238.291 1.789 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](C)CC2)n1 ZINC000932342620 643149660 /nfs/dbraw/zinc/14/96/60/643149660.db2.gz NSVWCNHAEHQJBC-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCO[C@H](C)CC2)n1 ZINC000932342620 643149669 /nfs/dbraw/zinc/14/96/69/643149669.db2.gz NSVWCNHAEHQJBC-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO CS[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000081466915 643222203 /nfs/dbraw/zinc/22/22/03/643222203.db2.gz NCJLXAFKPMMIQZ-VHSXEESVSA-N 1 2 239.344 1.283 20 0 BDADLO C#CCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000184779903 643239171 /nfs/dbraw/zinc/23/91/71/643239171.db2.gz PYLBFRXHNWVRFK-ZDUSSCGKSA-N 1 2 231.295 1.856 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1n[nH]c2ccccc21 ZINC000072872090 643318470 /nfs/dbraw/zinc/31/84/70/643318470.db2.gz VWBPOTTYXAQGBY-UHFFFAOYSA-N 1 2 241.254 1.398 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000082644697 643358778 /nfs/dbraw/zinc/35/87/78/643358778.db2.gz IIFHUWGNBKCOSF-LLVKDONJSA-N 1 2 221.304 1.221 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000082644697 643358784 /nfs/dbraw/zinc/35/87/84/643358784.db2.gz IIFHUWGNBKCOSF-LLVKDONJSA-N 1 2 221.304 1.221 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000082644536 643359342 /nfs/dbraw/zinc/35/93/42/643359342.db2.gz DEKDRPSSVWTWGF-NSHDSACASA-N 1 2 219.288 1.278 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000082644536 643359348 /nfs/dbraw/zinc/35/93/48/643359348.db2.gz DEKDRPSSVWTWGF-NSHDSACASA-N 1 2 219.288 1.278 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC001032235303 643381131 /nfs/dbraw/zinc/38/11/31/643381131.db2.gz GMDYHWZECIEPCW-STQMWFEESA-N 1 2 248.301 1.631 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC001032235303 643381136 /nfs/dbraw/zinc/38/11/36/643381136.db2.gz GMDYHWZECIEPCW-STQMWFEESA-N 1 2 248.301 1.631 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000049774052 643391325 /nfs/dbraw/zinc/39/13/25/643391325.db2.gz DDKRITSCKKFHCT-LLVKDONJSA-N 1 2 229.320 1.034 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000049774052 643391332 /nfs/dbraw/zinc/39/13/32/643391332.db2.gz DDKRITSCKKFHCT-LLVKDONJSA-N 1 2 229.320 1.034 20 0 BDADLO CCCC[C@@H]1NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000049227351 643613011 /nfs/dbraw/zinc/61/30/11/643613011.db2.gz SWKKDPTUCKGLOI-JTQLQIEISA-N 1 2 239.319 1.149 20 0 BDADLO CCCC[C@@H]1NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000049227351 643613019 /nfs/dbraw/zinc/61/30/19/643613019.db2.gz SWKKDPTUCKGLOI-JTQLQIEISA-N 1 2 239.319 1.149 20 0 BDADLO c1cc(C[NH2+]Cc2cc[nH]n2)n(C2CCC2)n1 ZINC000921705752 643758238 /nfs/dbraw/zinc/75/82/38/643758238.db2.gz WXNRTPHVAVEZQG-UHFFFAOYSA-N 1 2 231.303 1.621 20 0 BDADLO CC(=O)NCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001000345548 643777771 /nfs/dbraw/zinc/77/77/71/643777771.db2.gz KRSZBNDHCAVCFO-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO CC(=O)NCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001000345548 643777775 /nfs/dbraw/zinc/77/77/75/643777775.db2.gz KRSZBNDHCAVCFO-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO Cc1cc(C)c(C(=O)N2C[C@H]3C[C@@]3(O)C2)c(C)[nH+]1 ZINC000921887611 643817161 /nfs/dbraw/zinc/81/71/61/643817161.db2.gz OIQLMXIUUKEBGY-BXUZGUMPSA-N 1 2 246.310 1.214 20 0 BDADLO CC[C@H]1C[N@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC000929256252 643824649 /nfs/dbraw/zinc/82/46/49/643824649.db2.gz AAJLRUVDFOTLPT-HUYFXPKMSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1C[N@@H+](C/C(C)=C/C(=O)OC)CCO1 ZINC000929256252 643824650 /nfs/dbraw/zinc/82/46/50/643824650.db2.gz AAJLRUVDFOTLPT-HUYFXPKMSA-N 1 2 227.304 1.217 20 0 BDADLO CCc1onc(C)c1NCc1c[nH+]cn1C ZINC000922135954 643870880 /nfs/dbraw/zinc/87/08/80/643870880.db2.gz SXLSZUGQSDTXOC-UHFFFAOYSA-N 1 2 220.276 1.891 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1C=CCC1 ZINC000085987521 643879947 /nfs/dbraw/zinc/87/99/47/643879947.db2.gz IKFNJTMSHCCGIX-SNVBAGLBSA-N 1 2 220.272 1.820 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@H]1C=CCC1 ZINC000085987519 643880052 /nfs/dbraw/zinc/88/00/52/643880052.db2.gz IKFNJTMSHCCGIX-JTQLQIEISA-N 1 2 220.272 1.820 20 0 BDADLO Cc1ccc(C(=O)OCc2c[nH+]cn2C)n1C ZINC000085987445 643880261 /nfs/dbraw/zinc/88/02/61/643880261.db2.gz ATWXMLQFQZYCKN-UHFFFAOYSA-N 1 2 233.271 1.424 20 0 BDADLO CC(C)=CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922167091 643888159 /nfs/dbraw/zinc/88/81/59/643888159.db2.gz MSGRRUHBXOOGRR-UHFFFAOYSA-N 1 2 206.245 1.673 20 0 BDADLO CC[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922224737 643909008 /nfs/dbraw/zinc/90/90/08/643909008.db2.gz NQFFMSMJZYYOGG-MRVPVSSYSA-N 1 2 208.261 1.753 20 0 BDADLO CC[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922225487 643910343 /nfs/dbraw/zinc/91/03/43/643910343.db2.gz SAJRKNQKROHDKS-MRVPVSSYSA-N 1 2 208.261 1.753 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@]12CCCO2 ZINC000922312500 643967560 /nfs/dbraw/zinc/96/75/60/643967560.db2.gz ZXNWQQMFIKQYDT-DGCLKSJQSA-N 1 2 249.314 1.170 20 0 BDADLO COCCCC(=O)OCc1ccc[nH+]c1N ZINC000922361587 643979828 /nfs/dbraw/zinc/97/98/28/643979828.db2.gz NEVGOUXMGSOIJG-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO Nc1ccc(COC(=O)C2CC=CC2)c[nH+]1 ZINC000922477355 644000516 /nfs/dbraw/zinc/00/05/16/644000516.db2.gz BGMODIILWRBYGU-UHFFFAOYSA-N 1 2 218.256 1.673 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1CC(F)(F)C1 ZINC000922519524 644010820 /nfs/dbraw/zinc/01/08/20/644010820.db2.gz ZVUWARLGWWRKNY-UHFFFAOYSA-N 1 2 242.225 1.752 20 0 BDADLO COCc1cc(C[NH2+][C@H]2CCN(C)[C@H]2C)no1 ZINC000922554464 644023509 /nfs/dbraw/zinc/02/35/09/644023509.db2.gz KAPJQYPSQFXQBZ-CABZTGNLSA-N 1 2 239.319 1.003 20 0 BDADLO Cn1cc(C[NH2+][C@H](c2ccccn2)C2CC2)nn1 ZINC000922586030 644036209 /nfs/dbraw/zinc/03/62/09/644036209.db2.gz JMVICPKZBLZRFP-ZDUSSCGKSA-N 1 2 243.314 1.451 20 0 BDADLO CSC1(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922639737 644045164 /nfs/dbraw/zinc/04/51/64/644045164.db2.gz PHAOQPJJRODUNB-UHFFFAOYSA-N 1 2 238.312 1.603 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCc2ccc(N)[nH+]c2)CO1 ZINC000922630502 644045734 /nfs/dbraw/zinc/04/57/34/644045734.db2.gz PEXZRFKUQYXDSJ-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO CC[C@](C)(OC)C(=O)OCc1ccc[nH+]c1N ZINC000922697472 644069883 /nfs/dbraw/zinc/06/98/83/644069883.db2.gz OBQFTKJKGLEOJK-LBPRGKRZSA-N 1 2 238.287 1.522 20 0 BDADLO CCC[C@H](OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922767220 644091284 /nfs/dbraw/zinc/09/12/84/644091284.db2.gz OLAQABHJQAKIHL-JTQLQIEISA-N 1 2 238.287 1.522 20 0 BDADLO Nc1[nH+]cccc1COC(=O)CSC1CC1 ZINC000922773797 644092879 /nfs/dbraw/zinc/09/28/79/644092879.db2.gz MZSUGECKTVEQCS-UHFFFAOYSA-N 1 2 238.312 1.603 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CC1(F)F ZINC000922777237 644092979 /nfs/dbraw/zinc/09/29/79/644092979.db2.gz ZOOPDBHGPCKNHS-ZETCQYMHSA-N 1 2 228.198 1.362 20 0 BDADLO Nc1ccc(COC(=O)/C=C/[C@H]2CCCO2)c[nH+]1 ZINC000922816305 644107285 /nfs/dbraw/zinc/10/72/85/644107285.db2.gz OEWJVOGPKILTHD-DUMNWFOQSA-N 1 2 248.282 1.442 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000922876590 644124421 /nfs/dbraw/zinc/12/44/21/644124421.db2.gz OTJXYFJTJCFSCZ-URLYPYJESA-N 1 2 232.283 1.753 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCNc1ccccc1 ZINC000073815676 644131094 /nfs/dbraw/zinc/13/10/94/644131094.db2.gz ZPDLSZNPYAAJJA-UHFFFAOYSA-N 1 2 244.298 1.111 20 0 BDADLO COC(=O)C[N@H+](CCc1cccs1)C1CC1 ZINC000079501274 644187910 /nfs/dbraw/zinc/18/79/10/644187910.db2.gz RZVJRLFQEWFROE-UHFFFAOYSA-N 1 2 239.340 1.928 20 0 BDADLO COC(=O)C[N@@H+](CCc1cccs1)C1CC1 ZINC000079501274 644187912 /nfs/dbraw/zinc/18/79/12/644187912.db2.gz RZVJRLFQEWFROE-UHFFFAOYSA-N 1 2 239.340 1.928 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922942214 644195778 /nfs/dbraw/zinc/19/57/78/644195778.db2.gz SLCQJRGGKMLRDU-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@H](C(=O)OCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000923061840 644253187 /nfs/dbraw/zinc/25/31/87/644253187.db2.gz YLSWZYWWKKOSLT-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2ccon2)[nH+]1 ZINC000081010175 644303226 /nfs/dbraw/zinc/30/32/26/644303226.db2.gz PLOHBJDRLPWTCR-UHFFFAOYSA-N 1 2 229.243 1.866 20 0 BDADLO Cc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CC2)s1 ZINC000083837118 644410212 /nfs/dbraw/zinc/41/02/12/644410212.db2.gz ZBIOYVSRBFTWNX-ZETCQYMHSA-N 1 2 225.361 1.902 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCO[C@@H]2C)n1 ZINC000086761047 644470524 /nfs/dbraw/zinc/47/05/24/644470524.db2.gz GXNMHQWXESMCPT-SFYZADRCSA-N 1 2 211.265 1.072 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@H](O)C1(C)C ZINC000163444434 644521314 /nfs/dbraw/zinc/52/13/14/644521314.db2.gz CJTVQEQGTWEOOK-UWVGGRQHSA-N 1 2 222.288 1.662 20 0 BDADLO C[NH+]1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000248085527 644663478 /nfs/dbraw/zinc/66/34/78/644663478.db2.gz BCYLHUVOKFQQHE-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000766846321 644671238 /nfs/dbraw/zinc/67/12/38/644671238.db2.gz JZGBELHPMNEFBT-DTWKUNHWSA-N 1 2 221.308 1.022 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000766846321 644671243 /nfs/dbraw/zinc/67/12/43/644671243.db2.gz JZGBELHPMNEFBT-DTWKUNHWSA-N 1 2 221.308 1.022 20 0 BDADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)c(C)o1 ZINC000769115940 644679184 /nfs/dbraw/zinc/67/91/84/644679184.db2.gz QMZIGBLXIIDEMY-UHFFFAOYSA-N 1 2 222.288 1.218 20 0 BDADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)c(C)o1 ZINC000769115940 644679189 /nfs/dbraw/zinc/67/91/89/644679189.db2.gz QMZIGBLXIIDEMY-UHFFFAOYSA-N 1 2 222.288 1.218 20 0 BDADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCF)C1 ZINC000781982523 644737302 /nfs/dbraw/zinc/73/73/02/644737302.db2.gz CLCBQGUMMJYOGC-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCF)C1 ZINC000781982523 644737304 /nfs/dbraw/zinc/73/73/04/644737304.db2.gz CLCBQGUMMJYOGC-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CCC=CO2)cc[nH+]1 ZINC000792254463 644796268 /nfs/dbraw/zinc/79/62/68/644796268.db2.gz KUOFEQCZMKQZFM-SNVBAGLBSA-N 1 2 234.255 1.400 20 0 BDADLO Cc1cc(CNC(=O)C(=O)C(C)(C)C)cc(C)[nH+]1 ZINC000817459037 644983808 /nfs/dbraw/zinc/98/38/08/644983808.db2.gz PQLQLFUWICWVBE-UHFFFAOYSA-N 1 2 248.326 1.930 20 0 BDADLO CCCCC[C@H](O)C(=O)NCCc1[nH]cc[nH+]1 ZINC000823232741 645044877 /nfs/dbraw/zinc/04/48/77/645044877.db2.gz FMERABQXZQKVKM-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO Cc1cccc(C[N@H+](C)CC[S@](C)=O)n1 ZINC000828071255 645094051 /nfs/dbraw/zinc/09/40/51/645094051.db2.gz OBFRGBKKXBNILT-HNNXBMFYSA-N 1 2 226.345 1.200 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC[S@](C)=O)n1 ZINC000828071255 645094057 /nfs/dbraw/zinc/09/40/57/645094057.db2.gz OBFRGBKKXBNILT-HNNXBMFYSA-N 1 2 226.345 1.200 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)OC1CCC1 ZINC000830002454 645112552 /nfs/dbraw/zinc/11/25/52/645112552.db2.gz KNJXGFNXCSLOKG-SECBINFHSA-N 1 2 223.276 1.550 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000926547372 645268591 /nfs/dbraw/zinc/26/85/91/645268591.db2.gz DDODWCBPEPWDQQ-IVZWLZJFSA-N 1 2 226.276 1.129 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@](C)(O)c1ccccc1 ZINC000846039278 645390823 /nfs/dbraw/zinc/39/08/23/645390823.db2.gz QLPRVROHQASLQM-FZMZJTMJSA-N 1 2 245.326 1.796 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000846980699 645410835 /nfs/dbraw/zinc/41/08/35/645410835.db2.gz SRNMSYAFMYSHTQ-DGCLKSJQSA-N 1 2 246.310 1.495 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)c1 ZINC000846980699 645410839 /nfs/dbraw/zinc/41/08/39/645410839.db2.gz SRNMSYAFMYSHTQ-DGCLKSJQSA-N 1 2 246.310 1.495 20 0 BDADLO CCN1CCC[C@H]([NH2+][C@@H](C)c2ncco2)C1=O ZINC000926900751 645482587 /nfs/dbraw/zinc/48/25/87/645482587.db2.gz PUNWDEIURIPBKH-UWVGGRQHSA-N 1 2 237.303 1.336 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854911756 645515999 /nfs/dbraw/zinc/51/59/99/645515999.db2.gz GSANLXVKCFTTPS-SKDRFNHKSA-N 1 2 221.304 1.503 20 0 BDADLO CC1(C)C[N@H+](CN2CCC2=O)[C@@H]1[C@H]1CCCO1 ZINC000857237480 645541704 /nfs/dbraw/zinc/54/17/04/645541704.db2.gz QUGJUOUMCQQFFL-ZYHUDNBSSA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)C[N@@H+](CN2CCC2=O)[C@@H]1[C@H]1CCCO1 ZINC000857237480 645541708 /nfs/dbraw/zinc/54/17/08/645541708.db2.gz QUGJUOUMCQQFFL-ZYHUDNBSSA-N 1 2 238.331 1.066 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1nc(C2CC2)c[nH]1 ZINC000857548580 645611345 /nfs/dbraw/zinc/61/13/45/645611345.db2.gz OYGWOGXQLLKPNE-UHFFFAOYSA-N 1 2 231.259 1.191 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927480808 645621938 /nfs/dbraw/zinc/62/19/38/645621938.db2.gz MJBLRBQJRWRHSH-HBNTYKKESA-N 1 2 233.315 1.505 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927493277 645627578 /nfs/dbraw/zinc/62/75/78/645627578.db2.gz JLTINTROZNCZAI-YNEHKIRRSA-N 1 2 247.342 1.826 20 0 BDADLO CCc1cc(C(=O)NCc2ccc(N)[nH+]c2)no1 ZINC000927778404 645655317 /nfs/dbraw/zinc/65/53/17/645655317.db2.gz UYOSQJIMXHGWRN-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CC23CCCC3)c[nH+]1 ZINC000927777957 645656207 /nfs/dbraw/zinc/65/62/07/645656207.db2.gz FAFZIQVNHYMYNO-NSHDSACASA-N 1 2 245.326 1.860 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866551594 645730670 /nfs/dbraw/zinc/73/06/70/645730670.db2.gz NURIHOLCZOHBBL-PWSUYJOCSA-N 1 2 237.303 1.092 20 0 BDADLO C[N@H+](CCC(N)=O)Cc1scnc1Cl ZINC000878612349 645817125 /nfs/dbraw/zinc/81/71/25/645817125.db2.gz KINCJFUUFOGEJZ-UHFFFAOYSA-N 1 2 233.724 1.104 20 0 BDADLO C[N@@H+](CCC(N)=O)Cc1scnc1Cl ZINC000878612349 645817127 /nfs/dbraw/zinc/81/71/27/645817127.db2.gz KINCJFUUFOGEJZ-UHFFFAOYSA-N 1 2 233.724 1.104 20 0 BDADLO COCCOCC[N@H+](C)Cc1nocc1C ZINC000878626563 645821759 /nfs/dbraw/zinc/82/17/59/645821759.db2.gz SZELVADASMIIFG-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO COCCOCC[N@@H+](C)Cc1nocc1C ZINC000878626563 645821761 /nfs/dbraw/zinc/82/17/61/645821761.db2.gz SZELVADASMIIFG-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000128447372 645833746 /nfs/dbraw/zinc/83/37/46/645833746.db2.gz NPCHMUSYDKRFPN-WDEREUQCSA-N 1 2 229.320 1.344 20 0 BDADLO COC(C)(C)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000928598142 645844130 /nfs/dbraw/zinc/84/41/30/645844130.db2.gz AAGSMWIUMLKMCG-VIFPVBQESA-N 1 2 239.319 1.272 20 0 BDADLO Clc1ccc(CN2CCc3[nH+]c[nH]c3C2)nn1 ZINC000929070369 645933022 /nfs/dbraw/zinc/93/30/22/645933022.db2.gz UVEBKQCUYOWSAA-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(CCCF)no2)O1 ZINC000924093793 645978038 /nfs/dbraw/zinc/97/80/38/645978038.db2.gz WKCNQSZDNHLGRY-IUCAKERBSA-N 1 2 243.282 1.363 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(CCCF)no2)O1 ZINC000924093793 645978042 /nfs/dbraw/zinc/97/80/42/645978042.db2.gz WKCNQSZDNHLGRY-IUCAKERBSA-N 1 2 243.282 1.363 20 0 BDADLO CON1CC[C@H]([N@H+](C)Cc2ccsc2)C1=O ZINC000929179283 645988244 /nfs/dbraw/zinc/98/82/44/645988244.db2.gz GBWYHQYNHXDEFP-JTQLQIEISA-N 1 2 240.328 1.342 20 0 BDADLO CON1CC[C@H]([N@@H+](C)Cc2ccsc2)C1=O ZINC000929179283 645988249 /nfs/dbraw/zinc/98/82/49/645988249.db2.gz GBWYHQYNHXDEFP-JTQLQIEISA-N 1 2 240.328 1.342 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)cc(C)n1 ZINC000929181354 645990329 /nfs/dbraw/zinc/99/03/29/645990329.db2.gz FNZWQSUZLLDTOC-UHFFFAOYSA-N 1 2 249.358 1.656 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)cc(C)n1 ZINC000929181354 645990337 /nfs/dbraw/zinc/99/03/37/645990337.db2.gz FNZWQSUZLLDTOC-UHFFFAOYSA-N 1 2 249.358 1.656 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CCF)c2)CCO1 ZINC000929258439 646038786 /nfs/dbraw/zinc/03/87/86/646038786.db2.gz ZRGJFBRMPCJYET-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CCF)c2)CCO1 ZINC000929258439 646038790 /nfs/dbraw/zinc/03/87/90/646038790.db2.gz ZRGJFBRMPCJYET-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000924533019 646053573 /nfs/dbraw/zinc/05/35/73/646053573.db2.gz HSMWFERPPXKZGK-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1cnn(C)n1 ZINC000924566374 646070864 /nfs/dbraw/zinc/07/08/64/646070864.db2.gz XGOWHDLMDSQGCL-NXEZZACHSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1cnn(C)n1 ZINC000924611223 646077769 /nfs/dbraw/zinc/07/77/69/646077769.db2.gz WXHVJUWEEVGGBV-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1C ZINC000929487235 646143333 /nfs/dbraw/zinc/14/33/33/646143333.db2.gz KLZDGRWBJXSRQE-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1C ZINC000929487235 646143336 /nfs/dbraw/zinc/14/33/36/646143336.db2.gz KLZDGRWBJXSRQE-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929635131 646212615 /nfs/dbraw/zinc/21/26/15/646212615.db2.gz KSEKVENDXIPYNH-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929635131 646212621 /nfs/dbraw/zinc/21/26/21/646212621.db2.gz KSEKVENDXIPYNH-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cnn(C)n1 ZINC000925245125 646218194 /nfs/dbraw/zinc/21/81/94/646218194.db2.gz PJMVUSQFZWWYNY-GARJFASQSA-N 1 2 249.362 1.091 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000929706752 646262698 /nfs/dbraw/zinc/26/26/98/646262698.db2.gz SCQYCGGDSQXGBD-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000929706752 646262704 /nfs/dbraw/zinc/26/27/04/646262704.db2.gz SCQYCGGDSQXGBD-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO COc1nnc(C[N@@H+]2C[C@H](C)[C@H](C)C2)s1 ZINC000929753631 646285255 /nfs/dbraw/zinc/28/52/55/646285255.db2.gz CUEQVSWLFKUINO-OCAPTIKFSA-N 1 2 227.333 1.635 20 0 BDADLO COc1nnc(C[N@H+]2C[C@H](C)[C@H](C)C2)s1 ZINC000929753631 646285257 /nfs/dbraw/zinc/28/52/57/646285257.db2.gz CUEQVSWLFKUINO-OCAPTIKFSA-N 1 2 227.333 1.635 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cnnn1C ZINC000925552198 646328502 /nfs/dbraw/zinc/32/85/02/646328502.db2.gz WASIZWCWAOOTNK-WCBMZHEXSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cnnn1C ZINC000925552198 646328508 /nfs/dbraw/zinc/32/85/08/646328508.db2.gz WASIZWCWAOOTNK-WCBMZHEXSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000930060653 646415297 /nfs/dbraw/zinc/41/52/97/646415297.db2.gz NKDJUFITAUWXNX-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000930060653 646415300 /nfs/dbraw/zinc/41/53/00/646415300.db2.gz NKDJUFITAUWXNX-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO COC/C(C)=C\C[N@H+](C)Cc1ncc[nH]1 ZINC000930121969 646445636 /nfs/dbraw/zinc/44/56/36/646445636.db2.gz RTDZGQBFPYBURG-WMZJFQQLSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)Cc1ncc[nH]1 ZINC000930121969 646445638 /nfs/dbraw/zinc/44/56/38/646445638.db2.gz RTDZGQBFPYBURG-WMZJFQQLSA-N 1 2 209.293 1.434 20 0 BDADLO OCC(F)(F)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926191669 646590137 /nfs/dbraw/zinc/59/01/37/646590137.db2.gz GJXHIGOWMBPLAX-SNVBAGLBSA-N 1 2 249.301 1.695 20 0 BDADLO [NH3+][C@H](CC(=O)NCc1cccc(F)c1)C(F)F ZINC000724740928 711609980 /nfs/dbraw/zinc/60/99/80/711609980.db2.gz RUVIRYFVNDDZRT-SECBINFHSA-N 1 2 246.232 1.424 20 0 BDADLO [NH3+][C@H](CC(=O)N1CCCCCC1)C(F)F ZINC000724708286 711609416 /nfs/dbraw/zinc/60/94/16/711609416.db2.gz MILJGOQAAXRVBT-MRVPVSSYSA-N 1 2 220.263 1.372 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccccc1)C(F)F ZINC000724729117 711610044 /nfs/dbraw/zinc/61/00/44/711610044.db2.gz CSNFYXXUPBXEMB-MRVPVSSYSA-N 1 2 214.215 1.608 20 0 BDADLO CCCN(CC1CC1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724753806 711610548 /nfs/dbraw/zinc/61/05/48/711610548.db2.gz ZQTPTEMYAGEKOJ-SECBINFHSA-N 1 2 234.290 1.618 20 0 BDADLO CO[C@@H]1CCOC[C@H]1Nc1cccc[nH+]1 ZINC000724889937 711625327 /nfs/dbraw/zinc/62/53/27/711625327.db2.gz BPVNLHSXVMAOBR-NXEZZACHSA-N 1 2 208.261 1.297 20 0 BDADLO C[N@H+](C[C@@H]1CCCCO1)Cn1cc(Cl)cn1 ZINC000126945593 711779796 /nfs/dbraw/zinc/77/97/96/711779796.db2.gz NBGXZGMGGUAJTL-NSHDSACASA-N 1 2 243.738 1.995 20 0 BDADLO C[N@@H+](C[C@@H]1CCCCO1)Cn1cc(Cl)cn1 ZINC000126945593 711779797 /nfs/dbraw/zinc/77/97/97/711779797.db2.gz NBGXZGMGGUAJTL-NSHDSACASA-N 1 2 243.738 1.995 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CCSC1 ZINC000913422537 711822136 /nfs/dbraw/zinc/82/21/36/711822136.db2.gz XZWDGTAASZTJKZ-SECBINFHSA-N 1 2 239.344 1.212 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1scnc1Cl ZINC000721920967 711937144 /nfs/dbraw/zinc/93/71/44/711937144.db2.gz HKLWMQTWZOILST-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1scnc1Cl ZINC000721920967 711937146 /nfs/dbraw/zinc/93/71/46/711937146.db2.gz HKLWMQTWZOILST-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@@H]2CCO)cc1Cl ZINC000706169472 712141674 /nfs/dbraw/zinc/14/16/74/712141674.db2.gz XJYUFEQFRMWTRQ-SNVBAGLBSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@@H]2CCO)cc1Cl ZINC000706169472 712141675 /nfs/dbraw/zinc/14/16/75/712141675.db2.gz XJYUFEQFRMWTRQ-SNVBAGLBSA-N 1 2 243.738 1.420 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)C(=O)OC(C)(C)C ZINC000707228838 712167136 /nfs/dbraw/zinc/16/71/36/712167136.db2.gz TYIVLFPIZFBWMK-UTLUCORTSA-N 1 2 229.320 1.220 20 0 BDADLO Cc1conc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000708235748 712184174 /nfs/dbraw/zinc/18/41/74/712184174.db2.gz MNGALGIKBPKJSM-QMMMGPOBSA-N 1 2 206.249 1.557 20 0 BDADLO Cc1nc(NCC2SCCS2)cc[nH+]1 ZINC000606287777 712351846 /nfs/dbraw/zinc/35/18/46/712351846.db2.gz QNSXPHIJVRYJFI-UHFFFAOYSA-N 1 2 227.358 1.425 20 0 BDADLO CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)C(=O)OC ZINC000719269528 712802715 /nfs/dbraw/zinc/80/27/15/712802715.db2.gz QKXYKMORVLOTCL-KOLCDFICSA-N 1 2 247.360 1.050 20 0 BDADLO O=C(NC[C@H]1CC[N@H+]1C/C=C/Cl)C1CCC1 ZINC001037997985 712897862 /nfs/dbraw/zinc/89/78/62/712897862.db2.gz TYXPHWRYVWLRST-SZHMKSFOSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(NC[C@H]1CC[N@@H+]1C/C=C/Cl)C1CCC1 ZINC001037997985 712897863 /nfs/dbraw/zinc/89/78/63/712897863.db2.gz TYXPHWRYVWLRST-SZHMKSFOSA-N 1 2 242.750 1.730 20 0 BDADLO CON(C)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000381354547 710627110 /nfs/dbraw/zinc/62/71/10/710627110.db2.gz CSLMOKWEDNEGHT-QMMMGPOBSA-N 1 2 243.332 1.122 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)n2)c(C)o1 ZINC000381405742 710633090 /nfs/dbraw/zinc/63/30/90/710633090.db2.gz SHPBQXMLEKQADI-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO CC[C@H](SC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381566907 710657360 /nfs/dbraw/zinc/65/73/60/710657360.db2.gz TVCAUKHBCPUDEB-VIFPVBQESA-N 1 2 240.328 1.679 20 0 BDADLO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cscn1 ZINC000381659991 710669197 /nfs/dbraw/zinc/66/91/97/710669197.db2.gz FVXVWDAVGOJAIK-MRVPVSSYSA-N 1 2 242.344 1.945 20 0 BDADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)CC[C@@H]1O ZINC000721929763 710691405 /nfs/dbraw/zinc/69/14/05/710691405.db2.gz PZAZZJKHMSTLBD-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)CC[C@@H]1O ZINC000721929763 710691408 /nfs/dbraw/zinc/69/14/08/710691408.db2.gz PZAZZJKHMSTLBD-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000380372167 712900183 /nfs/dbraw/zinc/90/01/83/712900183.db2.gz BNKLDNXXNUUUHU-UJQHZETGSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000380372167 712900184 /nfs/dbraw/zinc/90/01/84/712900184.db2.gz BNKLDNXXNUUUHU-UJQHZETGSA-N 1 2 227.304 1.215 20 0 BDADLO COc1ccc(C[NH+]2CC(N(C)C(C)=O)C2)cc1 ZINC001042386016 710777575 /nfs/dbraw/zinc/77/75/75/710777575.db2.gz YZXQALKNKQBRLP-UHFFFAOYSA-N 1 2 248.326 1.358 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)C2CC2)C1 ZINC001042395426 710779815 /nfs/dbraw/zinc/77/98/15/710779815.db2.gz DBEGYOOQMYLENQ-UHFFFAOYSA-N 1 2 222.332 1.505 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001042434487 710783357 /nfs/dbraw/zinc/78/33/57/710783357.db2.gz KHWPCQNVXDIAEU-AAEUAGOBSA-N 1 2 236.359 1.751 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ncccc2C)C1 ZINC001042594494 710794199 /nfs/dbraw/zinc/79/41/99/710794199.db2.gz JDJVXQQLJSQMGV-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2csc(C)n2)C1 ZINC001043626536 710810533 /nfs/dbraw/zinc/81/05/33/710810533.db2.gz MWLZDWCAAKGNGA-UHFFFAOYSA-N 1 2 239.344 1.228 20 0 BDADLO CCn1c[nH+]cc1CNc1cnc(C)nc1 ZINC000384199248 710823770 /nfs/dbraw/zinc/82/37/70/710823770.db2.gz KUMUZFLGFGPELU-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)F)C[N@@H+]1CCF ZINC001071310956 710855443 /nfs/dbraw/zinc/85/54/43/710855443.db2.gz XJMDVCUVQSMQDT-ZJUUUORDSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C(C)(C)F)C[N@H+]1CCF ZINC001071310956 710855447 /nfs/dbraw/zinc/85/54/47/710855447.db2.gz XJMDVCUVQSMQDT-ZJUUUORDSA-N 1 2 248.317 1.673 20 0 BDADLO c1cc(OCc2noc3c2COCC3)cc[nH+]1 ZINC000902732717 710886608 /nfs/dbraw/zinc/88/66/08/710886608.db2.gz BLUGRRWGPOUPSO-UHFFFAOYSA-N 1 2 232.239 1.721 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc[nH+]1 ZINC000384554725 710919093 /nfs/dbraw/zinc/91/90/93/710919093.db2.gz GTLIPKDJJYPZSF-IWSPIJDZSA-N 1 2 222.292 1.496 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)[nH+]cn1 ZINC000384554725 710919096 /nfs/dbraw/zinc/91/90/96/710919096.db2.gz GTLIPKDJJYPZSF-IWSPIJDZSA-N 1 2 222.292 1.496 20 0 BDADLO Cc1nc(N2CC[C@@H](NC(=O)C(C)C)C2)cc[nH+]1 ZINC001058280607 710967353 /nfs/dbraw/zinc/96/73/53/710967353.db2.gz OLUAOUBPGQWCJS-LLVKDONJSA-N 1 2 248.330 1.136 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000383486511 710981409 /nfs/dbraw/zinc/98/14/09/710981409.db2.gz BPXGEQXHQRWUQW-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000386073582 711022226 /nfs/dbraw/zinc/02/22/26/711022226.db2.gz JRSPUYSCXSUWRY-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)C1CC1 ZINC000386073582 711022230 /nfs/dbraw/zinc/02/22/30/711022230.db2.gz JRSPUYSCXSUWRY-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc(Cl)cn2)C[C@H]1O ZINC000387863386 711048172 /nfs/dbraw/zinc/04/81/72/711048172.db2.gz LYTYYROTZXIXCN-SECBINFHSA-N 1 2 241.722 1.333 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc(Cl)cn2)C[C@H]1O ZINC000387863386 711048175 /nfs/dbraw/zinc/04/81/75/711048175.db2.gz LYTYYROTZXIXCN-SECBINFHSA-N 1 2 241.722 1.333 20 0 BDADLO CC(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001069693506 711053894 /nfs/dbraw/zinc/05/38/94/711053894.db2.gz ZBMXCHCNOAVXPC-UHFFFAOYSA-N 1 2 234.303 1.206 20 0 BDADLO Cn1nnnc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000389318757 711075629 /nfs/dbraw/zinc/07/56/29/711075629.db2.gz CEVRDMGNFFWDLB-NSHDSACASA-N 1 2 247.277 1.126 20 0 BDADLO CC(C)(F)C(=O)OCc1cc[nH+]c(N)c1 ZINC000389672027 711086929 /nfs/dbraw/zinc/08/69/29/711086929.db2.gz WPHVBEKRUKEUGF-UHFFFAOYSA-N 1 2 212.224 1.285 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000389990624 711103646 /nfs/dbraw/zinc/10/36/46/711103646.db2.gz OCWAKABNZVRZRZ-GUBZILKMSA-N 1 2 231.361 1.669 20 0 BDADLO Cc1nocc1C[NH2+][C@H](C)c1nccnc1C ZINC000397953505 711398558 /nfs/dbraw/zinc/39/85/58/711398558.db2.gz QOECMHMZIVUDJX-SNVBAGLBSA-N 1 2 232.287 1.932 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001038598725 710697532 /nfs/dbraw/zinc/69/75/32/710697532.db2.gz XLCAKBQJJMMTDO-ZMNMRNRSSA-N 1 2 242.750 1.585 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001038598725 710697533 /nfs/dbraw/zinc/69/75/33/710697533.db2.gz XLCAKBQJJMMTDO-ZMNMRNRSSA-N 1 2 242.750 1.585 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccco2)C1 ZINC001042416667 710781130 /nfs/dbraw/zinc/78/11/30/710781130.db2.gz UVTDYDZIJJECIP-UHFFFAOYSA-N 1 2 208.261 1.056 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)C2(F)CCCC2)C1 ZINC001043177403 710803703 /nfs/dbraw/zinc/80/37/03/710803703.db2.gz IMOCDBCEIHLIMG-UHFFFAOYSA-N 1 2 228.311 1.431 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@H]2CCc3cccnc32)[nH]1 ZINC000392413036 711146186 /nfs/dbraw/zinc/14/61/86/711146186.db2.gz DSODMOAMHPGJON-KWQFWETISA-N 1 2 243.314 1.846 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(O)c2)[nH]1 ZINC000392482713 711149239 /nfs/dbraw/zinc/14/92/39/711149239.db2.gz VOUOWKJGVDSWRI-QMMMGPOBSA-N 1 2 232.287 1.670 20 0 BDADLO CC[NH+](CC)Cc1ncc(C(=O)OC)s1 ZINC000393302579 711155810 /nfs/dbraw/zinc/15/58/10/711155810.db2.gz RKTNMWISBSDRTO-UHFFFAOYSA-N 1 2 228.317 1.772 20 0 BDADLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000399689502 711433542 /nfs/dbraw/zinc/43/35/42/711433542.db2.gz VCYYLYSRZVFXFE-WCBMZHEXSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cnsn1 ZINC000399689502 711433545 /nfs/dbraw/zinc/43/35/45/711433545.db2.gz VCYYLYSRZVFXFE-WCBMZHEXSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000399656595 711433555 /nfs/dbraw/zinc/43/35/55/711433555.db2.gz KAYBFLJERHZMJY-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000399656595 711433558 /nfs/dbraw/zinc/43/35/58/711433558.db2.gz KAYBFLJERHZMJY-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO c1snnc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933376571 711528119 /nfs/dbraw/zinc/52/81/19/711528119.db2.gz SMWVFHAXOYVXAL-JTQLQIEISA-N 1 2 239.344 1.729 20 0 BDADLO CN(C)c1cc(NCC2CCC2)[nH+]cn1 ZINC000891774514 711546020 /nfs/dbraw/zinc/54/60/20/711546020.db2.gz DQGXKGUWGQJHRC-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CN(C)c1cc(NCC2CCC2)nc[nH+]1 ZINC000891774514 711546022 /nfs/dbraw/zinc/54/60/22/711546022.db2.gz DQGXKGUWGQJHRC-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000724772890 711611533 /nfs/dbraw/zinc/61/15/33/711611533.db2.gz TXJJWHNZVZWXDY-SECBINFHSA-N 1 2 228.242 1.916 20 0 BDADLO Cc1[nH]c(CN(C)[C@H]2CCOC2)c(C)[nH+]1 ZINC000724774292 711612043 /nfs/dbraw/zinc/61/20/43/711612043.db2.gz GBXBMGLEDGDBDV-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cn[nH]c2C)C1 ZINC000724785964 711614833 /nfs/dbraw/zinc/61/48/33/711614833.db2.gz NGPNBIQQIVQEKH-SKDRFNHKSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cn[nH]c2C)C1 ZINC000724785964 711614834 /nfs/dbraw/zinc/61/48/34/711614834.db2.gz NGPNBIQQIVQEKH-SKDRFNHKSA-N 1 2 223.320 1.717 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721547636 711622761 /nfs/dbraw/zinc/62/27/61/711622761.db2.gz AZWGMVNEQDRCTA-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO CCCNc1cc(N[C@@H]2CC23CC(O)C3)nc[nH+]1 ZINC000724930864 711630432 /nfs/dbraw/zinc/63/04/32/711630432.db2.gz NRCKVYHHSSYIBE-RUETXSTFSA-N 1 2 248.330 1.624 20 0 BDADLO CCCNc1cc(N[C@@H]2CC23CC(O)C3)[nH+]cn1 ZINC000724930864 711630436 /nfs/dbraw/zinc/63/04/36/711630436.db2.gz NRCKVYHHSSYIBE-RUETXSTFSA-N 1 2 248.330 1.624 20 0 BDADLO CC(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C[C@H]1C ZINC001068271185 711689776 /nfs/dbraw/zinc/68/97/76/711689776.db2.gz LBGXLQDRHYVOOV-SKDRFNHKSA-N 1 2 248.330 1.454 20 0 BDADLO COc1cc(NCc2c[nH+]cn2C(C)C)nn1C ZINC000302256067 711719961 /nfs/dbraw/zinc/71/99/61/711719961.db2.gz DEBJRGKJGXTLHZ-UHFFFAOYSA-N 1 2 249.318 1.818 20 0 BDADLO OCC[C@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000258629256 711738978 /nfs/dbraw/zinc/73/89/78/711738978.db2.gz DOPAXSOMIUZIPQ-LLVKDONJSA-N 1 2 248.330 1.402 20 0 BDADLO OCC[C@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000258629256 711738979 /nfs/dbraw/zinc/73/89/79/711738979.db2.gz DOPAXSOMIUZIPQ-LLVKDONJSA-N 1 2 248.330 1.402 20 0 BDADLO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029217189 711774972 /nfs/dbraw/zinc/77/49/72/711774972.db2.gz IQTXWJWMNNIMLV-SDDRHHMPSA-N 1 2 242.338 1.677 20 0 BDADLO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029217189 711774975 /nfs/dbraw/zinc/77/49/75/711774975.db2.gz IQTXWJWMNNIMLV-SDDRHHMPSA-N 1 2 242.338 1.677 20 0 BDADLO CC(=O)c1ccc(C(=O)OCC[NH+]2CCC2)o1 ZINC000861391870 711790764 /nfs/dbraw/zinc/79/07/64/711790764.db2.gz KIYDQVZUGUOPSH-UHFFFAOYSA-N 1 2 237.255 1.345 20 0 BDADLO Cc1nc(C[N@@H+]2CCCCC[C@@H]2CCO)no1 ZINC000342070461 711793449 /nfs/dbraw/zinc/79/34/49/711793449.db2.gz SFAUQTOTURJUKF-LLVKDONJSA-N 1 2 239.319 1.505 20 0 BDADLO Cc1nc(C[N@H+]2CCCCC[C@@H]2CCO)no1 ZINC000342070461 711793450 /nfs/dbraw/zinc/79/34/50/711793450.db2.gz SFAUQTOTURJUKF-LLVKDONJSA-N 1 2 239.319 1.505 20 0 BDADLO C[C@H](CCCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000087359972 711834918 /nfs/dbraw/zinc/83/49/18/711834918.db2.gz NLINXLNLHPTFIM-NXEZZACHSA-N 1 2 231.336 1.467 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c[nH+]1 ZINC000922793639 711976676 /nfs/dbraw/zinc/97/66/76/711976676.db2.gz HAGGIJVLGPTXSK-MXWKQRLJSA-N 1 2 248.282 1.275 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000922794809 711976862 /nfs/dbraw/zinc/97/68/62/711976862.db2.gz SJSLBYLHVRZLKW-MXWKQRLJSA-N 1 2 248.282 1.275 20 0 BDADLO C/C=C\C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000701216946 712018449 /nfs/dbraw/zinc/01/84/49/712018449.db2.gz FAASSYPFUMGBCF-PLNGDYQASA-N 1 2 207.277 1.311 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000701692714 712027647 /nfs/dbraw/zinc/02/76/47/712027647.db2.gz JLOFAQSCFFMUIZ-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000701692714 712027650 /nfs/dbraw/zinc/02/76/50/712027650.db2.gz JLOFAQSCFFMUIZ-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(C)n1)C1(Cl)CC1 ZINC000702366392 712048307 /nfs/dbraw/zinc/04/83/07/712048307.db2.gz YIUBURSPJSQVBU-SSDOTTSWSA-N 1 2 214.700 1.065 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(N)nn2)C[C@@H](C)O1 ZINC000703964535 712096535 /nfs/dbraw/zinc/09/65/35/712096535.db2.gz CAOJAINGCIVNLL-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@@H](C)O1 ZINC000703964535 712096537 /nfs/dbraw/zinc/09/65/37/712096537.db2.gz CAOJAINGCIVNLL-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccc(N)nn2)s1 ZINC000703984549 712098060 /nfs/dbraw/zinc/09/80/60/712098060.db2.gz BLVFCLSJLGILGX-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccc(N)nn2)s1 ZINC000703984549 712098061 /nfs/dbraw/zinc/09/80/61/712098061.db2.gz BLVFCLSJLGILGX-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC(C)(C)CO1 ZINC000708467645 712195536 /nfs/dbraw/zinc/19/55/36/712195536.db2.gz LYZYAIUSKWSPHA-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC(C)(C)CO1 ZINC000708467645 712195537 /nfs/dbraw/zinc/19/55/37/712195537.db2.gz LYZYAIUSKWSPHA-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710181956 712247080 /nfs/dbraw/zinc/24/70/80/712247080.db2.gz HLLYEBDHUVUFOL-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)OC ZINC000710846924 712258873 /nfs/dbraw/zinc/25/88/73/712258873.db2.gz YAYUTZRQJLJOFL-NAKRPEOUSA-N 1 2 229.320 1.199 20 0 BDADLO CC[C@@H]1COC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000711111209 712281320 /nfs/dbraw/zinc/28/13/20/712281320.db2.gz SPZVBBNJLBOQLN-MWLCHTKSSA-N 1 2 209.293 1.233 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922918368 712286760 /nfs/dbraw/zinc/28/67/60/712286760.db2.gz RNBQVVRRRCECLH-NUGNTBJXSA-N 1 2 246.310 1.999 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711456306 712305068 /nfs/dbraw/zinc/30/50/68/712305068.db2.gz MATXFHGZIXSXGF-GFCCVEGCSA-N 1 2 235.331 1.909 20 0 BDADLO Cn1nccc1C[NH2+]Cc1nccn1C1CC1 ZINC000711739597 712321468 /nfs/dbraw/zinc/32/14/68/712321468.db2.gz QQSJGAKXKADYIV-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001079324631 712346784 /nfs/dbraw/zinc/34/67/84/712346784.db2.gz ZVXYFAVLZKBYRA-MWLCHTKSSA-N 1 2 237.303 1.021 20 0 BDADLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001079324631 712346786 /nfs/dbraw/zinc/34/67/86/712346786.db2.gz ZVXYFAVLZKBYRA-MWLCHTKSSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N1CC[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001065367652 712355977 /nfs/dbraw/zinc/35/59/77/712355977.db2.gz FRWMPBKOMQMIEL-CYBMUJFWSA-N 1 2 248.330 1.455 20 0 BDADLO CC(C)[C@@H](CO)[NH2+]CC(F)(F)C(F)F ZINC000379579536 712389290 /nfs/dbraw/zinc/38/92/90/712389290.db2.gz WVDJKKDJZRCODL-ZCFIWIBFSA-N 1 2 217.206 1.493 20 0 BDADLO c1cn(C[C@H]2CC3(CO2)CCOCC3)c[nH+]1 ZINC000712687167 712440646 /nfs/dbraw/zinc/44/06/46/712440646.db2.gz FVDWWTAFYDXWAW-LLVKDONJSA-N 1 2 222.288 1.469 20 0 BDADLO C=C/C=C/CCNc1[nH+]cnc2c1cnn2C ZINC000713507413 712464074 /nfs/dbraw/zinc/46/40/74/712464074.db2.gz TYJUEDYNKMEHTF-SNAWJCMRSA-N 1 2 229.287 1.908 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)C(=O)OC ZINC000713599292 712466863 /nfs/dbraw/zinc/46/68/63/712466863.db2.gz KBUYSTINMIANHP-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cn(C)nn1 ZINC000715849363 712536081 /nfs/dbraw/zinc/53/60/81/712536081.db2.gz FBZMOMFYHCLNDG-ZWNOBZJWSA-N 1 2 246.314 1.199 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC000716453026 712561850 /nfs/dbraw/zinc/56/18/50/712561850.db2.gz SUGVEVICVPKNFW-AXTSPUMRSA-N 1 2 221.304 1.939 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000716485406 712565381 /nfs/dbraw/zinc/56/53/81/712565381.db2.gz NJDFFCRNZQLDKJ-NUGNTBJXSA-N 1 2 245.326 1.572 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ncc[nH]1 ZINC000866463155 712621600 /nfs/dbraw/zinc/62/16/00/712621600.db2.gz KEOZANAUVAYIQL-LYFYHCNISA-N 1 2 237.225 1.372 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000379930394 712631710 /nfs/dbraw/zinc/63/17/10/712631710.db2.gz ODLOFIYPBHQOEU-NXEZZACHSA-N 1 2 231.361 1.671 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC ZINC000379944883 712634776 /nfs/dbraw/zinc/63/47/76/712634776.db2.gz DAQBODHVGHUSJL-ZJUUUORDSA-N 1 2 213.277 1.220 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000717231613 712640775 /nfs/dbraw/zinc/64/07/75/712640775.db2.gz YPQYMWKTGJOKGK-CPOMMVLXSA-N 1 2 233.315 1.626 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931143857 712713834 /nfs/dbraw/zinc/71/38/34/712713834.db2.gz LRMFHUODLCPBHG-VWYCJHECSA-N 1 2 220.320 1.988 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931143857 712713835 /nfs/dbraw/zinc/71/38/35/712713835.db2.gz LRMFHUODLCPBHG-VWYCJHECSA-N 1 2 220.320 1.988 20 0 BDADLO Cn1cncc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719570103 712810885 /nfs/dbraw/zinc/81/08/85/712810885.db2.gz HNTRMWZBAGENIU-UHFFFAOYSA-N 1 2 248.355 1.655 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000720432141 712842377 /nfs/dbraw/zinc/84/23/77/712842377.db2.gz OBZFBJHSWHLZDL-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCO[C@@H](C)CC1 ZINC000720432141 712842379 /nfs/dbraw/zinc/84/23/79/712842379.db2.gz OBZFBJHSWHLZDL-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1cncc(C[NH2+][C@H](C)c2cn(C)nn2)c1 ZINC000720596610 712856713 /nfs/dbraw/zinc/85/67/13/712856713.db2.gz SAIIGPOGHUHBNX-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CNc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)nc[nH+]1 ZINC000380289088 712861720 /nfs/dbraw/zinc/86/17/20/712861720.db2.gz AVWRQKLLLZOFPZ-DTORHVGOSA-N 1 2 218.304 1.611 20 0 BDADLO CNc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)[nH+]cn1 ZINC000380289088 712861721 /nfs/dbraw/zinc/86/17/21/712861721.db2.gz AVWRQKLLLZOFPZ-DTORHVGOSA-N 1 2 218.304 1.611 20 0 BDADLO CNc1cc(N2CCSC[C@@H](C)C2)nc[nH+]1 ZINC000380334302 712887085 /nfs/dbraw/zinc/88/70/85/712887085.db2.gz DRXIZNGFPYXVQJ-VIFPVBQESA-N 1 2 238.360 1.708 20 0 BDADLO CNc1cc(N2CCSC[C@@H](C)C2)[nH+]cn1 ZINC000380334302 712887086 /nfs/dbraw/zinc/88/70/86/712887086.db2.gz DRXIZNGFPYXVQJ-VIFPVBQESA-N 1 2 238.360 1.708 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)cs1 ZINC001206802867 957242079 /nfs/dbraw/zinc/24/20/79/957242079.db2.gz UIMBYJRUSLINKH-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)cs1 ZINC001206802867 957242098 /nfs/dbraw/zinc/24/20/98/957242098.db2.gz UIMBYJRUSLINKH-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001209555203 957504429 /nfs/dbraw/zinc/50/44/29/957504429.db2.gz WMDJXLGTPWVOKK-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001209555203 957504440 /nfs/dbraw/zinc/50/44/40/957504440.db2.gz WMDJXLGTPWVOKK-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO COc1cc2[nH+]ccn2cc1NCC(C)=O ZINC001167629862 959135678 /nfs/dbraw/zinc/13/56/78/959135678.db2.gz RKLMXVRMDINUSV-UHFFFAOYSA-N 1 2 219.244 1.344 20 0 BDADLO CC[C@@H]1CC[C@H]([NH2+][C@@H](C(=O)OC)[C@@H](C)O)C1 ZINC000309687779 960027795 /nfs/dbraw/zinc/02/77/95/960027795.db2.gz HXTZHNFKANJBNX-CHWFTXMASA-N 1 2 229.320 1.077 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1nc(C)cc(C)n1 ZINC000700507825 960163151 /nfs/dbraw/zinc/16/31/51/960163151.db2.gz SKSDQCOMYFMOEP-UHFFFAOYSA-N 1 2 237.303 1.088 20 0 BDADLO COCC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203067113 960575844 /nfs/dbraw/zinc/57/58/44/960575844.db2.gz LSPJKNVXMVELAA-UHFFFAOYSA-N 1 2 223.320 1.577 20 0 BDADLO C[C@H]1C[C@H](OCc2c[nH+]cn2C)CCO1 ZINC001222599733 960721696 /nfs/dbraw/zinc/72/16/96/960721696.db2.gz DMZRZWIGUBCIRR-GXSJLCMTSA-N 1 2 210.277 1.504 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001154802128 962851455 /nfs/dbraw/zinc/85/14/55/962851455.db2.gz QFMDJMRNMPCRIE-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206658437 963158287 /nfs/dbraw/zinc/15/82/87/963158287.db2.gz YCWXKJYFGKWQLQ-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206658437 963158295 /nfs/dbraw/zinc/15/82/95/963158295.db2.gz YCWXKJYFGKWQLQ-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)nc(F)n1 ZINC000690849145 963267389 /nfs/dbraw/zinc/26/73/89/963267389.db2.gz ZOYFIGIPZUJMHL-UHFFFAOYSA-N 1 2 221.239 1.270 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2nccs2)[nH+]1 ZINC001156538010 963379786 /nfs/dbraw/zinc/37/97/86/963379786.db2.gz HJCBCQLSHOENNO-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1cnc(C[NH2+]C/C=C\CNC(C)=O)o1 ZINC001482974607 964261749 /nfs/dbraw/zinc/26/17/49/964261749.db2.gz QSMFXHUBDFLQHD-PLNGDYQASA-N 1 2 237.303 1.019 20 0 BDADLO CC[C@@H](C)CO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224667231 964862654 /nfs/dbraw/zinc/86/26/54/964862654.db2.gz FVXSYFBBULUFLO-MXWKQRLJSA-N 1 2 229.320 1.295 20 0 BDADLO CC[C@@H](C)CO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224667231 964862663 /nfs/dbraw/zinc/86/26/63/964862663.db2.gz FVXSYFBBULUFLO-MXWKQRLJSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1c(C[NH+]2CC(C)(CO)C2)ccnc1Cl ZINC001232752534 965408880 /nfs/dbraw/zinc/40/88/80/965408880.db2.gz WWDOACUDCOWGFF-UHFFFAOYSA-N 1 2 240.734 1.858 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CC[C@H]1F ZINC001233314460 965487263 /nfs/dbraw/zinc/48/72/63/965487263.db2.gz ZAALMAXZOBMHMO-RKDXNWHRSA-N 1 2 233.670 1.838 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)CC[C@H]1F ZINC001233314460 965487270 /nfs/dbraw/zinc/48/72/70/965487270.db2.gz ZAALMAXZOBMHMO-RKDXNWHRSA-N 1 2 233.670 1.838 20 0 BDADLO CCC[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)OCC ZINC000699574207 965995234 /nfs/dbraw/zinc/99/52/34/965995234.db2.gz NGJLNPZHEGVYON-VWYCJHECSA-N 1 2 229.320 1.343 20 0 BDADLO COCC[C@@H]1CCCC[N@@H+]1Cc1cnn[nH]1 ZINC001203205778 966548446 /nfs/dbraw/zinc/54/84/46/966548446.db2.gz KFMFXTYKPHFANF-NSHDSACASA-N 1 2 224.308 1.196 20 0 BDADLO COCC[C@@H]1CCCC[N@H+]1Cc1cnn[nH]1 ZINC001203205778 966548457 /nfs/dbraw/zinc/54/84/57/966548457.db2.gz KFMFXTYKPHFANF-NSHDSACASA-N 1 2 224.308 1.196 20 0 BDADLO COCC[C@@H]1CCCC[N@@H+]1Cc1cn[nH]n1 ZINC001203205778 966548462 /nfs/dbraw/zinc/54/84/62/966548462.db2.gz KFMFXTYKPHFANF-NSHDSACASA-N 1 2 224.308 1.196 20 0 BDADLO COCC[C@@H]1CCCC[N@H+]1Cc1cn[nH]n1 ZINC001203205778 966548468 /nfs/dbraw/zinc/54/84/68/966548468.db2.gz KFMFXTYKPHFANF-NSHDSACASA-N 1 2 224.308 1.196 20 0 BDADLO COc1cc[nH+]cc1N[C@@H](CO)C(C)(C)C ZINC001168554819 966878159 /nfs/dbraw/zinc/87/81/59/966878159.db2.gz XVYGMLRKEQAUFN-NSHDSACASA-N 1 2 224.304 1.909 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001204601792 967099364 /nfs/dbraw/zinc/09/93/64/967099364.db2.gz NLRZAKDOWAHSST-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001204601792 967099378 /nfs/dbraw/zinc/09/93/78/967099378.db2.gz NLRZAKDOWAHSST-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO Cc1noc(C)c1CCC[NH+]1CCN(C)CC1 ZINC001250229249 967543812 /nfs/dbraw/zinc/54/38/12/967543812.db2.gz PYCLMYOEVHUAJM-UHFFFAOYSA-N 1 2 237.347 1.471 20 0 BDADLO Cc1ccnc(F)c1CCn1cc[nH+]c1 ZINC001250320107 967696360 /nfs/dbraw/zinc/69/63/60/967696360.db2.gz YIKSDFZONXMCIN-UHFFFAOYSA-N 1 2 205.236 1.968 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cnoc2)C1 ZINC001205677499 967767277 /nfs/dbraw/zinc/76/72/77/967767277.db2.gz KLZZJFFPLQLMBQ-MRVPVSSYSA-N 1 2 236.193 1.174 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnoc2)C1 ZINC001205677499 967767284 /nfs/dbraw/zinc/76/72/84/967767284.db2.gz KLZZJFFPLQLMBQ-MRVPVSSYSA-N 1 2 236.193 1.174 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001203163997 967821450 /nfs/dbraw/zinc/82/14/50/967821450.db2.gz OLPDPVQEHWVHNN-DLOVCJGASA-N 1 2 221.279 1.575 20 0 BDADLO O[C@H](C[N@@H+]1CCc2ncccc2C1)C(F)(F)F ZINC001250972389 968228319 /nfs/dbraw/zinc/22/83/19/968228319.db2.gz IHEQFJIACZOPPT-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO O[C@H](C[N@H+]1CCc2ncccc2C1)C(F)(F)F ZINC001250972389 968228333 /nfs/dbraw/zinc/22/83/33/968228333.db2.gz IHEQFJIACZOPPT-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO O[C@H](C[N@@H+]1CCc2cnccc2C1)C(F)(F)F ZINC001250957167 968225238 /nfs/dbraw/zinc/22/52/38/968225238.db2.gz HWYBMMUSROBTOH-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO O[C@H](C[N@H+]1CCc2cnccc2C1)C(F)(F)F ZINC001250957167 968225251 /nfs/dbraw/zinc/22/52/51/968225251.db2.gz HWYBMMUSROBTOH-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO C[N@H+](Cc1ncccc1F)[C@H]1CCOC1 ZINC001207033042 968563871 /nfs/dbraw/zinc/56/38/71/968563871.db2.gz NYGRABPMGBIEIA-VIFPVBQESA-N 1 2 210.252 1.441 20 0 BDADLO C[N@@H+](Cc1ncccc1F)[C@H]1CCOC1 ZINC001207033042 968563874 /nfs/dbraw/zinc/56/38/74/968563874.db2.gz NYGRABPMGBIEIA-VIFPVBQESA-N 1 2 210.252 1.441 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)[C@H](C)CO1 ZINC001207070227 968599456 /nfs/dbraw/zinc/59/94/56/968599456.db2.gz KXLHQTQGUCQAAP-NXEZZACHSA-N 1 2 222.288 1.396 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)[C@H](C)CO1 ZINC001207070227 968599464 /nfs/dbraw/zinc/59/94/64/968599464.db2.gz KXLHQTQGUCQAAP-NXEZZACHSA-N 1 2 222.288 1.396 20 0 BDADLO CCCC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001252120380 968606058 /nfs/dbraw/zinc/60/60/58/968606058.db2.gz UYVMUJMEOMCVHB-LLVKDONJSA-N 1 2 245.363 1.859 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2CC(C)(C)O)no1 ZINC001252356388 968631096 /nfs/dbraw/zinc/63/10/96/968631096.db2.gz AUYRSSOKXRAIJC-JTQLQIEISA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2CC(C)(C)O)no1 ZINC001252356388 968631103 /nfs/dbraw/zinc/63/11/03/968631103.db2.gz AUYRSSOKXRAIJC-JTQLQIEISA-N 1 2 239.319 1.676 20 0 BDADLO CC(C)(O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001252366014 968646619 /nfs/dbraw/zinc/64/66/19/968646619.db2.gz VGAOMVMIKCARQN-UHFFFAOYSA-N 1 2 239.290 1.412 20 0 BDADLO CC(=CC(=O)NCc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000827791947 968703037 /nfs/dbraw/zinc/70/30/37/968703037.db2.gz KERAGXXCEDETRI-VURMDHGXSA-N 1 2 233.315 1.999 20 0 BDADLO CC(C)CCCN1CC[NH+](CCCO)CC1 ZINC001208734547 969224098 /nfs/dbraw/zinc/22/40/98/969224098.db2.gz JSPSGEATWGASIX-UHFFFAOYSA-N 1 2 228.380 1.423 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001209553016 969536251 /nfs/dbraw/zinc/53/62/51/969536251.db2.gz LBQBQZWVWHMGQC-SCZZXKLOSA-N 1 2 227.258 1.805 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001209553016 969536259 /nfs/dbraw/zinc/53/62/59/969536259.db2.gz LBQBQZWVWHMGQC-SCZZXKLOSA-N 1 2 227.258 1.805 20 0 BDADLO Cc1ccsc1C[N@H+]1CC(=O)NC[C@H]1C ZINC001204024105 969603327 /nfs/dbraw/zinc/60/33/27/969603327.db2.gz VBHYJTVDKNJDGS-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccsc1C[N@@H+]1CC(=O)NC[C@H]1C ZINC001204024105 969603333 /nfs/dbraw/zinc/60/33/33/969603333.db2.gz VBHYJTVDKNJDGS-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO F[C@H]1CCCC[N@H+](Cc2cnccn2)C1 ZINC001209783890 969613308 /nfs/dbraw/zinc/61/33/08/969613308.db2.gz ZVIYSBIHXLADFQ-JTQLQIEISA-N 1 2 209.268 1.801 20 0 BDADLO F[C@H]1CCCC[N@@H+](Cc2cnccn2)C1 ZINC001209783890 969613312 /nfs/dbraw/zinc/61/33/12/969613312.db2.gz ZVIYSBIHXLADFQ-JTQLQIEISA-N 1 2 209.268 1.801 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001255547231 970317278 /nfs/dbraw/zinc/31/72/78/970317278.db2.gz STUWTRMCBZBGBM-UWVGGRQHSA-N 1 2 249.301 1.646 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001255547231 970317290 /nfs/dbraw/zinc/31/72/90/970317290.db2.gz STUWTRMCBZBGBM-UWVGGRQHSA-N 1 2 249.301 1.646 20 0 BDADLO F[C@@H]1C[NH+](C2CCC3(CC2)OCCO3)C[C@H]1F ZINC001255622913 970402204 /nfs/dbraw/zinc/40/22/04/970402204.db2.gz NPWSPTXJFVZPOO-GHMZBOCLSA-N 1 2 247.285 1.664 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001255655696 970433661 /nfs/dbraw/zinc/43/36/61/970433661.db2.gz MRVNIEQLFCGGBI-PRJMDXOYSA-N 1 2 209.211 1.800 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001255655696 970433678 /nfs/dbraw/zinc/43/36/78/970433678.db2.gz MRVNIEQLFCGGBI-PRJMDXOYSA-N 1 2 209.211 1.800 20 0 BDADLO CC(=O)N(C)C1C[NH+]([C@@H](C)CC(F)(F)F)C1 ZINC001255659387 970439406 /nfs/dbraw/zinc/43/94/06/970439406.db2.gz YACMJZDFDVRJEM-ZETCQYMHSA-N 1 2 238.253 1.490 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H](O)CC)CCCC1 ZINC000305085785 970687359 /nfs/dbraw/zinc/68/73/59/970687359.db2.gz NXGJBSHFRKATHS-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ncco1 ZINC001332433292 975115891 /nfs/dbraw/zinc/11/58/91/975115891.db2.gz FGDRSTQKCGWTCW-BQBZGAKWSA-N 1 2 220.219 1.341 20 0 BDADLO Cc1cc[nH+]c(C)c1OC[C@@H]1COC(=O)O1 ZINC001227263045 975337831 /nfs/dbraw/zinc/33/78/31/975337831.db2.gz BNLUZQBIQIJEDZ-SECBINFHSA-N 1 2 223.228 1.613 20 0 BDADLO CCCCC[N@H+](CCCOC)Cc1nnc[nH]1 ZINC001333586128 975872479 /nfs/dbraw/zinc/87/24/79/975872479.db2.gz GUWGFKJSKVHITL-UHFFFAOYSA-N 1 2 240.351 1.833 20 0 BDADLO CCCCC[N@@H+](CCCOC)Cc1nnc[nH]1 ZINC001333586128 975872485 /nfs/dbraw/zinc/87/24/85/975872485.db2.gz GUWGFKJSKVHITL-UHFFFAOYSA-N 1 2 240.351 1.833 20 0 BDADLO CC[N@@H+]1CC[C@@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480421 976246990 /nfs/dbraw/zinc/24/69/90/976246990.db2.gz KJUQVZIODQMQPC-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO CC[N@H+]1CC[C@@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480421 976246998 /nfs/dbraw/zinc/24/69/98/976246998.db2.gz KJUQVZIODQMQPC-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO CC(C)[S@](C)(=O)=NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001334388379 976485595 /nfs/dbraw/zinc/48/55/95/976485595.db2.gz BYCXMMCVKJEOQS-ABKXIKBNSA-N 1 2 243.332 1.477 20 0 BDADLO COc1cncnc1OC1C[NH+](C(C)(C)C)C1 ZINC001229393043 976855740 /nfs/dbraw/zinc/85/57/40/976855740.db2.gz HABFUQWZMSOTCW-UHFFFAOYSA-N 1 2 237.303 1.347 20 0 BDADLO CC(C)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001230801850 977338517 /nfs/dbraw/zinc/33/85/17/977338517.db2.gz BGFOKUIWTSRGNC-DUMNWFOQSA-N 1 2 244.766 1.928 20 0 BDADLO CC(C)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001230801850 977338531 /nfs/dbraw/zinc/33/85/31/977338531.db2.gz BGFOKUIWTSRGNC-DUMNWFOQSA-N 1 2 244.766 1.928 20 0 BDADLO CCc1cc(N=C2CCC[N@H+](C)C2)on1 ZINC001175576431 977577409 /nfs/dbraw/zinc/57/74/09/977577409.db2.gz ICUFGBOIJAXKQK-UHFFFAOYSA-N 1 2 207.277 1.868 20 0 BDADLO CCc1cc(N=C2CCC[N@@H+](C)C2)on1 ZINC001175576431 977577418 /nfs/dbraw/zinc/57/74/18/977577418.db2.gz ICUFGBOIJAXKQK-UHFFFAOYSA-N 1 2 207.277 1.868 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(Cl)ccc2F)C[C@H]1O ZINC001232155378 977898582 /nfs/dbraw/zinc/89/85/82/977898582.db2.gz KPPUIHICIVQASD-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(Cl)ccc2F)C[C@H]1O ZINC001232155378 977898589 /nfs/dbraw/zinc/89/85/89/977898589.db2.gz KPPUIHICIVQASD-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO Cc1scnc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001232202576 977924769 /nfs/dbraw/zinc/92/47/69/977924769.db2.gz CNVGNQRPEXIOLX-WPRPVWTQSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1scnc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001232202576 977924777 /nfs/dbraw/zinc/92/47/77/977924777.db2.gz CNVGNQRPEXIOLX-WPRPVWTQSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1[nH]c(CN2CCCCC23COC3)c[nH+]1 ZINC001232462705 978102345 /nfs/dbraw/zinc/10/23/45/978102345.db2.gz RVMUUVPHLHUXIA-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]cc(CN2CCCCC23COC3)[nH+]1 ZINC001232462705 978102359 /nfs/dbraw/zinc/10/23/59/978102359.db2.gz RVMUUVPHLHUXIA-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@H]2C2CC2)c[nH+]1 ZINC001232465376 978108831 /nfs/dbraw/zinc/10/88/31/978108831.db2.gz KMPGTEYAXMBMQE-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]cc(CN2CCOC[C@H]2C2CC2)[nH+]1 ZINC001232465376 978108840 /nfs/dbraw/zinc/10/88/40/978108840.db2.gz KMPGTEYAXMBMQE-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO CC[NH+](CC)Cc1c(OC)ncnc1OC ZINC001232513476 978157971 /nfs/dbraw/zinc/15/79/71/978157971.db2.gz XTEXYJMLYSQDSC-UHFFFAOYSA-N 1 2 225.292 1.336 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)ncc1O ZINC001233041089 978417002 /nfs/dbraw/zinc/41/70/02/978417002.db2.gz RDSCAGXURJQHIE-SECBINFHSA-N 1 2 242.706 1.661 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(Cl)ncc1O ZINC001233041089 978417006 /nfs/dbraw/zinc/41/70/06/978417006.db2.gz RDSCAGXURJQHIE-SECBINFHSA-N 1 2 242.706 1.661 20 0 BDADLO CCc1ccc(N2CC[C@@H](C)[C@H]2CO)[nH+]c1 ZINC001337846812 978523193 /nfs/dbraw/zinc/52/31/93/978523193.db2.gz OMOVWAXUIMUJGA-ZYHUDNBSSA-N 1 2 220.316 1.851 20 0 BDADLO C[C@]1(O)COCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC001233314439 978543296 /nfs/dbraw/zinc/54/32/96/978543296.db2.gz XULZVQJNUTWVJA-LLVKDONJSA-N 1 2 245.706 1.516 20 0 BDADLO C[C@]1(O)COCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC001233314439 978543309 /nfs/dbraw/zinc/54/33/09/978543309.db2.gz XULZVQJNUTWVJA-LLVKDONJSA-N 1 2 245.706 1.516 20 0 BDADLO Cc1cnsc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC001233318062 978553969 /nfs/dbraw/zinc/55/39/69/978553969.db2.gz OGCGVABLHUTUFG-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO Cc1cnsc1C[N@H+]1CC[C@](F)(CO)C1 ZINC001233318062 978553979 /nfs/dbraw/zinc/55/39/79/978553979.db2.gz OGCGVABLHUTUFG-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO Cc1cnsc1C[NH+]1CCN(CCF)CC1 ZINC001233321545 978554918 /nfs/dbraw/zinc/55/49/18/978554918.db2.gz SZWKOIOTKAOVLJ-UHFFFAOYSA-N 1 2 243.351 1.539 20 0 BDADLO CCOC(OCC)[C@H](C)[NH2+]Cc1ccon1 ZINC001179842515 978763795 /nfs/dbraw/zinc/76/37/95/978763795.db2.gz MJAGLTOIQLOZJZ-VIFPVBQESA-N 1 2 228.292 1.552 20 0 BDADLO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn[nH]1 ZINC000070568232 978859867 /nfs/dbraw/zinc/85/98/67/978859867.db2.gz XDJNUJSHOJQRLA-NXEZZACHSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001234997878 978944982 /nfs/dbraw/zinc/94/49/82/978944982.db2.gz CODXFFIXEHNPNS-VIFPVBQESA-N 1 2 209.268 1.848 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001234997878 978944985 /nfs/dbraw/zinc/94/49/85/978944985.db2.gz CODXFFIXEHNPNS-VIFPVBQESA-N 1 2 209.268 1.848 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001603868437 979533762 /nfs/dbraw/zinc/53/37/62/979533762.db2.gz CFSBXGVCJGVXKA-QWRGUYRKSA-N 1 2 228.336 1.170 20 0 BDADLO CCC[N@H+](CCOC)Cc1nccnc1Cl ZINC001236610000 979676903 /nfs/dbraw/zinc/67/69/03/979676903.db2.gz YPPBMOCEMJRVPT-UHFFFAOYSA-N 1 2 243.738 1.988 20 0 BDADLO CCC[N@@H+](CCOC)Cc1nccnc1Cl ZINC001236610000 979676911 /nfs/dbraw/zinc/67/69/11/979676911.db2.gz YPPBMOCEMJRVPT-UHFFFAOYSA-N 1 2 243.738 1.988 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCOC[C@H]1CC ZINC001237659779 980023227 /nfs/dbraw/zinc/02/32/27/980023227.db2.gz QOZBQJXVEMOSGI-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCOC[C@H]1CC ZINC001237659779 980023239 /nfs/dbraw/zinc/02/32/39/980023239.db2.gz QOZBQJXVEMOSGI-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO COc1ccoc1C[NH+]1CC(C)(CO)C1 ZINC001237864042 980102024 /nfs/dbraw/zinc/10/20/24/980102024.db2.gz RBGFICOIMRQHPZ-UHFFFAOYSA-N 1 2 211.261 1.102 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238016626 980124861 /nfs/dbraw/zinc/12/48/61/980124861.db2.gz DXRHXGKRSMQGPU-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238016626 980124863 /nfs/dbraw/zinc/12/48/63/980124863.db2.gz DXRHXGKRSMQGPU-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO COCC[N@H+](C)Cc1cnc(F)cc1Cl ZINC001238025194 980130619 /nfs/dbraw/zinc/13/06/19/980130619.db2.gz SNVUJPMGNCKWJH-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COCC[N@@H+](C)Cc1cnc(F)cc1Cl ZINC001238025194 980130624 /nfs/dbraw/zinc/13/06/24/980130624.db2.gz SNVUJPMGNCKWJH-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1CC1(C)C ZINC001343740591 980232278 /nfs/dbraw/zinc/23/22/78/980232278.db2.gz WSBFZVDNGRVEAQ-NSHDSACASA-N 1 2 236.315 1.942 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ncc(C)cc1C ZINC001238425091 980250126 /nfs/dbraw/zinc/25/01/26/980250126.db2.gz FZGGNVMBMGONLT-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ncc(C)cc1C ZINC001238425091 980250136 /nfs/dbraw/zinc/25/01/36/980250136.db2.gz FZGGNVMBMGONLT-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO COCCCCC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001185627656 980257740 /nfs/dbraw/zinc/25/77/40/980257740.db2.gz PVKSRAUMYCSNAX-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO COC1(CNC(=O)[C@H](C)n2cc[nH+]c2)CCC1 ZINC001345067255 980537386 /nfs/dbraw/zinc/53/73/86/980537386.db2.gz WOCLHNZSATWLJB-JTQLQIEISA-N 1 2 237.303 1.129 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1CC=CC1 ZINC000076964734 980810076 /nfs/dbraw/zinc/81/00/76/980810076.db2.gz AVTNOXXHDOGFRP-UHFFFAOYSA-N 1 2 219.288 1.045 20 0 BDADLO C[C@H](C(=O)NCCc1[nH+]ccn1C)C1CCC1 ZINC001347357194 981055761 /nfs/dbraw/zinc/05/57/61/981055761.db2.gz JMWRDBSPCJBGSC-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735198 981158202 /nfs/dbraw/zinc/15/82/02/981158202.db2.gz HGBJSEBQUSWDIR-QWRGUYRKSA-N 1 2 235.331 1.371 20 0 BDADLO COc1cc(/C(C)=C/C=C/[NH3+])c(OC)nn1 ZINC001240326432 981296144 /nfs/dbraw/zinc/29/61/44/981296144.db2.gz LHPYTHPJPPAIDO-HLQBBKRNSA-N 1 2 221.260 1.370 20 0 BDADLO CCN(C(=O)c1c(C)c[nH]c1C)C1C[NH+](C)C1 ZINC001193358332 981297791 /nfs/dbraw/zinc/29/77/91/981297791.db2.gz PDMUYQDNTJHKTK-UHFFFAOYSA-N 1 2 235.331 1.408 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CS[C@H](C)C1)n1cc[nH+]c1 ZINC001348476367 981368453 /nfs/dbraw/zinc/36/84/53/981368453.db2.gz OLTFZXWDSQXLPU-KXUCPTDWSA-N 1 2 239.344 1.454 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2F)c(C)c[nH+]1 ZINC001349480535 981562371 /nfs/dbraw/zinc/56/23/71/981562371.db2.gz BEZSMYCXOWWQHL-IUCAKERBSA-N 1 2 208.236 1.417 20 0 BDADLO C[C@@H]([NH2+]CC1(C)OCCO1)c1ncco1 ZINC001350959199 982138027 /nfs/dbraw/zinc/13/80/27/982138027.db2.gz XCJMOQBMHOREFS-MRVPVSSYSA-N 1 2 212.249 1.088 20 0 BDADLO CC[C@H](C)OC(=O)NCCOc1cc[nH+]cc1 ZINC001195161246 982146566 /nfs/dbraw/zinc/14/65/66/982146566.db2.gz DKSRAMQZQUYMDP-JTQLQIEISA-N 1 2 238.287 1.985 20 0 BDADLO Cc1ccc(NC(=S)NC2C[NH+](C)C2)cc1 ZINC001197940522 982637260 /nfs/dbraw/zinc/63/72/60/982637260.db2.gz BTSCRPGWRWTWHH-UHFFFAOYSA-N 1 2 235.356 1.595 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CCC=C(Cl)C1 ZINC001300187179 982677872 /nfs/dbraw/zinc/67/78/72/982677872.db2.gz GKVNHLYBDTXZQY-JTQLQIEISA-N 1 2 228.723 1.436 20 0 BDADLO CN(Cc1ccsc1)c1cc(N)nc[nH+]1 ZINC000082426511 983071794 /nfs/dbraw/zinc/07/17/94/983071794.db2.gz CQLMWBVJHOXZKA-UHFFFAOYSA-N 1 2 220.301 1.757 20 0 BDADLO CCOC[C@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252020865 983085700 /nfs/dbraw/zinc/08/57/00/983085700.db2.gz GWEVBQITOLFPGU-LLVKDONJSA-N 1 2 238.331 1.762 20 0 BDADLO Nc1ccc(Nc2c(N)ncnc2Cl)c[nH+]1 ZINC001201272077 983173220 /nfs/dbraw/zinc/17/32/20/983173220.db2.gz HYTXRKZGMSAQRV-UHFFFAOYSA-N 1 2 236.666 1.433 20 0 BDADLO CCc1ccc(N2C[C@@H](C)[C@H](O)C2)[nH+]c1 ZINC001354150926 983174507 /nfs/dbraw/zinc/17/45/07/983174507.db2.gz HFPFRDGDRGTPII-MWLCHTKSSA-N 1 2 206.289 1.461 20 0 BDADLO CCc1ccc(N2CCC[C@H](O)CC2)[nH+]c1 ZINC001354205213 983194073 /nfs/dbraw/zinc/19/40/73/983194073.db2.gz XQKODOGMJPHMMN-LBPRGKRZSA-N 1 2 220.316 1.995 20 0 BDADLO CCOC(=O)c1ncn2c1C[N@H+](CC)CCC2 ZINC001201572344 983336391 /nfs/dbraw/zinc/33/63/91/983336391.db2.gz HXWYEMXUBMKYDN-UHFFFAOYSA-N 1 2 237.303 1.285 20 0 BDADLO CCOC(=O)c1ncn2c1C[N@@H+](CC)CCC2 ZINC001201572344 983336398 /nfs/dbraw/zinc/33/63/98/983336398.db2.gz HXWYEMXUBMKYDN-UHFFFAOYSA-N 1 2 237.303 1.285 20 0 BDADLO C[C@H]1CC([NH2+]Cc2ncn[nH]2)C[C@H](C)C1 ZINC000082830360 983389825 /nfs/dbraw/zinc/38/98/25/983389825.db2.gz DFLKEDPZYARCHY-RKDXNWHRSA-N 1 2 208.309 1.719 20 0 BDADLO Cc1csc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC001137152694 983982271 /nfs/dbraw/zinc/98/22/71/983982271.db2.gz YUASAULWHVEWIR-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1csc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC001137152694 983982292 /nfs/dbraw/zinc/98/22/92/983982292.db2.gz YUASAULWHVEWIR-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1csc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC001137157197 984000313 /nfs/dbraw/zinc/00/03/13/984000313.db2.gz OTQGBXPZRMHXHB-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Cc1csc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC001137157197 984000320 /nfs/dbraw/zinc/00/03/20/984000320.db2.gz OTQGBXPZRMHXHB-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Cc1csc(C[NH+]2CCN(C#N)CC2)c1 ZINC001137161666 984008477 /nfs/dbraw/zinc/00/84/77/984008477.db2.gz NWVWYHXYMPCIOL-UHFFFAOYSA-N 1 2 221.329 1.655 20 0 BDADLO CCOCC[C@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172416121 974684874 /nfs/dbraw/zinc/68/48/74/974684874.db2.gz DLVSVEMEDUGITM-LPEHRKFASA-N 1 2 207.264 1.793 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172416121 974684881 /nfs/dbraw/zinc/68/48/81/974684881.db2.gz DLVSVEMEDUGITM-LPEHRKFASA-N 1 2 207.264 1.793 20 0 BDADLO CC[N@H+](Cc1nnc[nH]1)[C@H]1CCOC(C)(C)C1 ZINC001327565418 972642191 /nfs/dbraw/zinc/64/21/91/972642191.db2.gz UFPPHXRDAHRRPS-JTQLQIEISA-N 1 2 238.335 1.584 20 0 BDADLO CC[N@@H+](Cc1nnc[nH]1)[C@H]1CCOC(C)(C)C1 ZINC001327565418 972642196 /nfs/dbraw/zinc/64/21/96/972642196.db2.gz UFPPHXRDAHRRPS-JTQLQIEISA-N 1 2 238.335 1.584 20 0 BDADLO C[C@H](C(=O)N1CC(C(F)(F)F)C1)n1cc[nH+]c1 ZINC001328127335 972883657 /nfs/dbraw/zinc/88/36/57/972883657.db2.gz SAZHLQZSGOFNJP-SSDOTTSWSA-N 1 2 247.220 1.465 20 0 BDADLO CC(C)CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001256372290 970782871 /nfs/dbraw/zinc/78/28/71/970782871.db2.gz JXWKVFLRUQEDQE-VWYCJHECSA-N 1 2 211.305 1.811 20 0 BDADLO CC(C)CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001256372290 970782877 /nfs/dbraw/zinc/78/28/77/970782877.db2.gz JXWKVFLRUQEDQE-VWYCJHECSA-N 1 2 211.305 1.811 20 0 BDADLO CNc1ccc(NCC(C)(OC)OC)c[nH+]1 ZINC001170437364 970816809 /nfs/dbraw/zinc/81/68/09/970816809.db2.gz JSMOYFJWWFHTAM-UHFFFAOYSA-N 1 2 225.292 1.544 20 0 BDADLO C[C@H](Cc1ccccn1)[NH+]1CC2(CCO2)C1 ZINC001256421524 970825534 /nfs/dbraw/zinc/82/55/34/970825534.db2.gz KXCAJGAXNKBCIN-LLVKDONJSA-N 1 2 218.300 1.487 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@@H](C)Cc1ccccn1 ZINC001256423539 970828472 /nfs/dbraw/zinc/82/84/72/970828472.db2.gz CVWNMCFVLGGXLL-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@@H](C)Cc1ccccn1 ZINC001256423539 970828476 /nfs/dbraw/zinc/82/84/76/970828476.db2.gz CVWNMCFVLGGXLL-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC001129538055 970854256 /nfs/dbraw/zinc/85/42/56/970854256.db2.gz GUQCDILZUKLUNX-VIFPVBQESA-N 1 2 221.304 1.125 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787606 970985768 /nfs/dbraw/zinc/98/57/68/970985768.db2.gz SHFAYLGPSMOLIP-OLZOCXBDSA-N 1 2 249.310 1.669 20 0 BDADLO CCC1CCC([NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC001256872563 971007209 /nfs/dbraw/zinc/00/72/09/971007209.db2.gz CACBVQZGSFFURQ-UHFFFAOYSA-N 1 2 245.388 1.684 20 0 BDADLO CC(C)n1ncc(C2=C[NH2+]CCC2)cc1=O ZINC001243951224 971039583 /nfs/dbraw/zinc/03/95/83/971039583.db2.gz CZHCSXMKCWSICJ-UHFFFAOYSA-N 1 2 219.288 1.549 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC3(CCO3)C2)C1 ZINC001257061811 971081593 /nfs/dbraw/zinc/08/15/93/971081593.db2.gz WSFRSZGXYOVQDH-MNOVXSKESA-N 1 2 239.315 1.193 20 0 BDADLO CSc1cc[nH+]c(NCC2OCCO2)c1 ZINC001158200516 971097281 /nfs/dbraw/zinc/09/72/81/971097281.db2.gz CPSNGIMAPBZIQX-UHFFFAOYSA-N 1 2 226.301 1.588 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001257245606 971140591 /nfs/dbraw/zinc/14/05/91/971140591.db2.gz RSVYQGZLEOKYON-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nnc(C)[nH]2)sn1 ZINC000404441201 971162595 /nfs/dbraw/zinc/16/25/95/971162595.db2.gz HKZKNAYEOLOSSE-SSDOTTSWSA-N 1 2 237.332 1.729 20 0 BDADLO CCC[C@H](C)[NH2+]CC(F)(F)C(=O)OCC ZINC001257307478 971195104 /nfs/dbraw/zinc/19/51/04/971195104.db2.gz NTNTXKGANZSTGC-QMMMGPOBSA-N 1 2 223.263 1.963 20 0 BDADLO CCC[C@H](C)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001257307397 971195203 /nfs/dbraw/zinc/19/52/03/971195203.db2.gz KYSYPRVRGJBQIM-AEJSXWLSSA-N 1 2 217.309 1.077 20 0 BDADLO CCCC(CCC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001257339871 971246573 /nfs/dbraw/zinc/24/65/73/971246573.db2.gz KDUNBKFLQNIDRA-UHFFFAOYSA-N 1 2 233.377 1.684 20 0 BDADLO COc1cc[nH+]cc1N[C@H]1C[C@H](NC(C)=O)C1 ZINC001170584787 971274297 /nfs/dbraw/zinc/27/42/97/971274297.db2.gz BXBRQULZZFEZTQ-MGCOHNPYSA-N 1 2 235.287 1.169 20 0 BDADLO CSCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCF)C1 ZINC001131808061 971276109 /nfs/dbraw/zinc/27/61/09/971276109.db2.gz HWZMIYKKUIZMHD-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO CSCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCF)C1 ZINC001131808061 971276114 /nfs/dbraw/zinc/27/61/14/971276114.db2.gz HWZMIYKKUIZMHD-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405662555 971288254 /nfs/dbraw/zinc/28/82/54/971288254.db2.gz OHPNUBIWUQPLDR-POZPLHJXSA-N 1 2 209.293 1.231 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@H](CO)C(=O)OC ZINC001257409741 971304715 /nfs/dbraw/zinc/30/47/15/971304715.db2.gz LTVMTOIBOXOMLC-NXEZZACHSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1cn[nH]c1CNC[C@@H](C)[NH+]1CCCCC1 ZINC000810133403 971314991 /nfs/dbraw/zinc/31/49/91/971314991.db2.gz HEVHQECDUAVFHA-GFCCVEGCSA-N 1 2 236.363 1.682 20 0 BDADLO CC(=O)OC[C@H]([NH3+])c1nnc(C2CCCC2)o1 ZINC001217699759 971341001 /nfs/dbraw/zinc/34/10/01/971341001.db2.gz RGDDFYRBJVTTEC-VIFPVBQESA-N 1 2 239.275 1.290 20 0 BDADLO Cc1nnc([C@@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)o1 ZINC001217705714 971345156 /nfs/dbraw/zinc/34/51/56/971345156.db2.gz JCOWKKGFFDZCMP-RQJHMYQMSA-N 1 2 235.209 1.981 20 0 BDADLO Cc1conc1C[S@@](=O)Cc1c[nH+]cn1C ZINC001330055657 974088839 /nfs/dbraw/zinc/08/88/39/974088839.db2.gz NSCQXXCQQNWNGZ-INIZCTEOSA-N 1 2 239.300 1.165 20 0 BDADLO C=CC(=O)NCCNc1[nH+]cc(OC)cc1C ZINC001158831134 971494294 /nfs/dbraw/zinc/49/42/94/971494294.db2.gz CIZCAMJBIQLWQY-UHFFFAOYSA-N 1 2 235.287 1.113 20 0 BDADLO Cc1cc(=O)c(C)c(O[C@@H]2C[NH2+]CC2(F)F)[nH]1 ZINC001218237416 971648144 /nfs/dbraw/zinc/64/81/44/971648144.db2.gz OSPDPXZTKOSPHD-SECBINFHSA-N 1 2 244.241 1.390 20 0 BDADLO COC(C)(CNc1[nH+]ccc(F)c1C)OC ZINC001159381410 971835988 /nfs/dbraw/zinc/83/59/88/971835988.db2.gz JLWCWEPCWHTKIO-UHFFFAOYSA-N 1 2 228.267 1.950 20 0 BDADLO Cc1cc(-c2ncnc3c2COCC3)c[nH+]c1N ZINC001245534976 971846980 /nfs/dbraw/zinc/84/69/80/971846980.db2.gz CRZLGBQTLFNDEA-UHFFFAOYSA-N 1 2 242.282 1.502 20 0 BDADLO C[C@H]([NH3+])c1ncc(C(=O)Nc2cnoc2)s1 ZINC001218574820 971875093 /nfs/dbraw/zinc/87/50/93/971875093.db2.gz VIKFBMMDMDHQBF-YFKPBYRVSA-N 1 2 238.272 1.403 20 0 BDADLO Nc1ncc(-c2ccc[nH+]c2N)cc1Cl ZINC001245566586 971875454 /nfs/dbraw/zinc/87/54/54/971875454.db2.gz OENCWASFSDEDBX-UHFFFAOYSA-N 1 2 220.663 1.961 20 0 BDADLO Cc1cc(NCCC(N)=O)[nH+]c2ccccc12 ZINC000310063728 971928752 /nfs/dbraw/zinc/92/87/52/971928752.db2.gz AOYNHONZIQAVKC-UHFFFAOYSA-N 1 2 229.283 1.831 20 0 BDADLO O=C(Nc1ccc2cc[nH]c2c1)C1(F)C[NH2+]C1 ZINC001218942229 971968510 /nfs/dbraw/zinc/96/85/10/971968510.db2.gz FGARQLGXVDSPJF-UHFFFAOYSA-N 1 2 233.246 1.418 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(CO)cc1 ZINC001219048692 971976269 /nfs/dbraw/zinc/97/62/69/971976269.db2.gz AOUPYVXFNWMWSJ-UHFFFAOYSA-N 1 2 231.255 1.083 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc(CCO)c1 ZINC000313172812 972055008 /nfs/dbraw/zinc/05/50/08/972055008.db2.gz LWSRVOUYPPRIOP-UHFFFAOYSA-N 1 2 231.299 1.567 20 0 BDADLO Cc1ccc(Cn2[nH]c(C3C[NH2+]C3)cc2=O)cc1 ZINC001245927219 972101930 /nfs/dbraw/zinc/10/19/30/972101930.db2.gz MJRDHVRMOKLRAB-UHFFFAOYSA-N 1 2 243.310 1.632 20 0 BDADLO CC(C)CCC[C@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220249849 972195863 /nfs/dbraw/zinc/19/58/63/972195863.db2.gz DLHRCECFIZMJBJ-JTQLQIEISA-N 1 2 230.327 1.629 20 0 BDADLO CC1(C[N@H+]2CCCC(=O)[C@H](F)C2)CCOCC1 ZINC001207963916 956896454 /nfs/dbraw/zinc/89/64/54/956896454.db2.gz QKTZRSVQEQQFRM-LLVKDONJSA-N 1 2 243.322 1.806 20 0 BDADLO CC1(C[N@@H+]2CCCC(=O)[C@H](F)C2)CCOCC1 ZINC001207963916 956896449 /nfs/dbraw/zinc/89/64/49/956896449.db2.gz QKTZRSVQEQQFRM-LLVKDONJSA-N 1 2 243.322 1.806 20 0 BDADLO COC1C[NH+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001208636177 957111355 /nfs/dbraw/zinc/11/13/55/957111355.db2.gz MJANDWPLIPEZTO-LBPRGKRZSA-N 1 2 241.331 1.393 20 0 BDADLO COCCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001209053954 957303098 /nfs/dbraw/zinc/30/30/98/957303098.db2.gz UCFOJBSRJJUSME-ZDUSSCGKSA-N 1 2 236.315 1.491 20 0 BDADLO COCCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001209053954 957303114 /nfs/dbraw/zinc/30/31/14/957303114.db2.gz UCFOJBSRJJUSME-ZDUSSCGKSA-N 1 2 236.315 1.491 20 0 BDADLO COCCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001209214865 957362392 /nfs/dbraw/zinc/36/23/92/957362392.db2.gz VTUSTRGMNBOOAQ-SNVBAGLBSA-N 1 2 217.284 1.416 20 0 BDADLO COCCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001209214865 957362403 /nfs/dbraw/zinc/36/24/03/957362403.db2.gz VTUSTRGMNBOOAQ-SNVBAGLBSA-N 1 2 217.284 1.416 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001209560397 957502172 /nfs/dbraw/zinc/50/21/72/957502172.db2.gz INCJBNWDYUMINN-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC001209560397 957502180 /nfs/dbraw/zinc/50/21/80/957502180.db2.gz INCJBNWDYUMINN-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO CCCOC[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210208657 957669778 /nfs/dbraw/zinc/66/97/78/957669778.db2.gz VJPKAYSRUAABLS-GFCCVEGCSA-N 1 2 231.336 1.150 20 0 BDADLO c1cnc2c(c1)CC[C@@H]2OCC[NH+]1CCOCC1 ZINC001210207201 957670817 /nfs/dbraw/zinc/67/08/17/957670817.db2.gz MMKWXYNUJZPRAN-ZDUSSCGKSA-N 1 2 248.326 1.418 20 0 BDADLO FC1CN(C2CC[NH+](Cc3cnc[nH]3)CC2)C1 ZINC001136871332 972290403 /nfs/dbraw/zinc/29/04/03/972290403.db2.gz BKZNIVPXRGLVJP-UHFFFAOYSA-N 1 2 238.310 1.028 20 0 BDADLO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cn[nH]n1)C2 ZINC001203202213 957777295 /nfs/dbraw/zinc/77/72/95/957777295.db2.gz XEQNKZFGJMNQEG-PWSUYJOCSA-N 1 2 236.319 1.053 20 0 BDADLO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cn[nH]n1)C2 ZINC001203202213 957777299 /nfs/dbraw/zinc/77/72/99/957777299.db2.gz XEQNKZFGJMNQEG-PWSUYJOCSA-N 1 2 236.319 1.053 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCC=CO1)Cn1cc[nH+]c1 ZINC001136892731 972295541 /nfs/dbraw/zinc/29/55/41/972295541.db2.gz IFEURHBYGOYXQG-NEPJUHHUSA-N 1 2 249.314 1.328 20 0 BDADLO COc1cc(-n2nc3c(c2N)CCC3)cc(C)[nH+]1 ZINC001210775592 957876336 /nfs/dbraw/zinc/87/63/36/957876336.db2.gz HKPBSWSJARSJTG-UHFFFAOYSA-N 1 2 244.298 1.655 20 0 BDADLO CC=C(C)Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001210793074 957892125 /nfs/dbraw/zinc/89/21/25/957892125.db2.gz KHZSBJDXTCGVDV-IYMAKHKGSA-N 1 2 233.315 1.988 20 0 BDADLO Cc1cccn2c(CN3CCCC(=O)C3)c[nH+]c12 ZINC001136964217 972304689 /nfs/dbraw/zinc/30/46/89/972304689.db2.gz BTZFGHCRISBJMQ-UHFFFAOYSA-N 1 2 243.310 1.808 20 0 BDADLO CCN1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC000398062576 958021064 /nfs/dbraw/zinc/02/10/64/958021064.db2.gz MZYCOPIQWQRQEE-VHSXEESVSA-N 1 2 218.291 1.858 20 0 BDADLO COCC1C[NH+](Cc2cncc(Cl)c2)C1 ZINC001136988695 972314043 /nfs/dbraw/zinc/31/40/43/972314043.db2.gz NQDVSABFKABMFA-UHFFFAOYSA-N 1 2 226.707 1.813 20 0 BDADLO CCOCC[C@@H](C)[NH2+]C(C)(C)C(=O)OC ZINC001172407899 974665444 /nfs/dbraw/zinc/66/54/44/974665444.db2.gz CBTPMJKMKQZIHX-SECBINFHSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1cncc(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161319603 958184223 /nfs/dbraw/zinc/18/42/23/958184223.db2.gz VCTFZBQYNJYTOK-UHFFFAOYSA-N 1 2 241.298 1.481 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cncc2ccccc21 ZINC000398328069 958214264 /nfs/dbraw/zinc/21/42/64/958214264.db2.gz PEDHUFWFXOGVIN-UHFFFAOYSA-N 1 2 239.282 1.643 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2c[nH]nn2)[C@H]2CCCO[C@@H]21 ZINC000398356222 958228936 /nfs/dbraw/zinc/22/89/36/958228936.db2.gz HWUAVRZUPHFOTJ-MXWKQRLJSA-N 1 2 236.319 1.098 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2cn[nH]n2)[C@H]2CCCO[C@@H]21 ZINC000398356222 958228951 /nfs/dbraw/zinc/22/89/51/958228951.db2.gz HWUAVRZUPHFOTJ-MXWKQRLJSA-N 1 2 236.319 1.098 20 0 BDADLO COc1ccc(C[N@@H+]2CCCCC23COC3)cn1 ZINC001137036522 972341583 /nfs/dbraw/zinc/34/15/83/972341583.db2.gz TWECLRITAPCJNE-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@H+]2CCCCC23COC3)cn1 ZINC001137036522 972341585 /nfs/dbraw/zinc/34/15/85/972341585.db2.gz TWECLRITAPCJNE-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@]12C[C@H]1CCC2 ZINC000693533117 958724909 /nfs/dbraw/zinc/72/49/09/958724909.db2.gz HFHBYEANNBJBID-PELKAZGASA-N 1 2 234.303 1.670 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@]12C[C@H]1CCC2 ZINC000693533117 958724943 /nfs/dbraw/zinc/72/49/43/958724943.db2.gz HFHBYEANNBJBID-PELKAZGASA-N 1 2 234.303 1.670 20 0 BDADLO CC1(C)C[C@H](OCCn2cc[nH+]c2)CCO1 ZINC001222138555 972372076 /nfs/dbraw/zinc/37/20/76/972372076.db2.gz HAMRBKSTFFZSDJ-LLVKDONJSA-N 1 2 224.304 1.857 20 0 BDADLO CCCCOC1C[NH+](CC(OC)OC)C1 ZINC001207253058 958768128 /nfs/dbraw/zinc/76/81/28/958768128.db2.gz LYYTXXZUBQNCSL-UHFFFAOYSA-N 1 2 217.309 1.106 20 0 BDADLO Cc1c([C@@H](C)OCCn2cc[nH+]c2)cnn1C ZINC001222129671 972376914 /nfs/dbraw/zinc/37/69/14/972376914.db2.gz ROZXPMBSQXPOGO-LLVKDONJSA-N 1 2 234.303 1.703 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001204588529 958915731 /nfs/dbraw/zinc/91/57/31/958915731.db2.gz HTMMYGMPTYJMGJ-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001204588529 958915743 /nfs/dbraw/zinc/91/57/43/958915743.db2.gz HTMMYGMPTYJMGJ-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO F[C@H]1COCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222139961 972389487 /nfs/dbraw/zinc/38/94/87/972389487.db2.gz ZFHVZXFRGQMKPC-UWVGGRQHSA-N 1 2 214.240 1.027 20 0 BDADLO Cc1c[nH+]cc(NCC(C)(C)C(N)=O)c1C ZINC001167604645 959039563 /nfs/dbraw/zinc/03/95/63/959039563.db2.gz GQBGLQAIYGSUJR-UHFFFAOYSA-N 1 2 221.304 1.622 20 0 BDADLO Nc1cc(CNc2cc3nc[nH]c3cn2)cc[nH+]1 ZINC001167615053 959076768 /nfs/dbraw/zinc/07/67/68/959076768.db2.gz XDVFSZXOTWWIFD-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO COc1c(C)ncnc1NCc1cc[nH+]c(N)c1 ZINC001167616764 959084682 /nfs/dbraw/zinc/08/46/82/959084682.db2.gz FWPUBNVHVICLAL-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724707284 959225114 /nfs/dbraw/zinc/22/51/14/959225114.db2.gz AVQHLTHFIIUJMZ-GJMOJQLCSA-N 1 2 220.263 1.274 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000724707452 959282273 /nfs/dbraw/zinc/28/22/73/959282273.db2.gz DMEBMTQJYSIPFZ-YUMQZZPRSA-N 1 2 220.263 1.370 20 0 BDADLO CC1(NC(=O)C[C@H]([NH3+])C(F)F)CCCCC1 ZINC000724752287 959358519 /nfs/dbraw/zinc/35/85/19/959358519.db2.gz PBVHASMMVCAFRU-QMMMGPOBSA-N 1 2 234.290 1.808 20 0 BDADLO CC(C)C(C)(C)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724772507 959429674 /nfs/dbraw/zinc/42/96/74/959429674.db2.gz RHHBKBXMQMNBCM-ZETCQYMHSA-N 1 2 222.279 1.520 20 0 BDADLO COc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cn1 ZINC000724769091 959432484 /nfs/dbraw/zinc/43/24/84/959432484.db2.gz AGPORWYLFAWMRM-ZETCQYMHSA-N 1 2 245.229 1.011 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)OC[C@@H]2C)c[nH+]1 ZINC000724782800 959485464 /nfs/dbraw/zinc/48/54/64/959485464.db2.gz MKYCIQHQMOMNBH-DTWKUNHWSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](C)OC[C@@H]2C)[nH+]1 ZINC000724782800 959485473 /nfs/dbraw/zinc/48/54/73/959485473.db2.gz MKYCIQHQMOMNBH-DTWKUNHWSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000724782838 959485616 /nfs/dbraw/zinc/48/56/16/959485616.db2.gz OPILKPQBBRAVKJ-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1[nH]cc(CN2CCO[C@@H](C(C)C)C2)[nH+]1 ZINC000724782838 959485627 /nfs/dbraw/zinc/48/56/27/959485627.db2.gz OPILKPQBBRAVKJ-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CC2(CC2(F)F)C1 ZINC001351075070 959488907 /nfs/dbraw/zinc/48/89/07/959488907.db2.gz MTMIFWUIYBIFEY-UHFFFAOYSA-N 1 2 241.241 1.256 20 0 BDADLO COc1cc[nH+]cc1NC1CCOCC1 ZINC000309071142 959575636 /nfs/dbraw/zinc/57/56/36/959575636.db2.gz DBYLQFVOLBOLDF-UHFFFAOYSA-N 1 2 208.261 1.681 20 0 BDADLO CCSC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000300013024 959628970 /nfs/dbraw/zinc/62/89/70/959628970.db2.gz VCOYPUISTLZNFY-WPRPVWTQSA-N 1 2 231.361 1.669 20 0 BDADLO CNc1cc(N[C@@H](C)Cc2ccccn2)nc[nH+]1 ZINC000694068063 959711028 /nfs/dbraw/zinc/71/10/28/959711028.db2.gz ILIHMFQQHFINQJ-JTQLQIEISA-N 1 2 243.314 1.956 20 0 BDADLO CNc1cc(N[C@@H](C)Cc2ccccn2)[nH+]cn1 ZINC000694068063 959711035 /nfs/dbraw/zinc/71/10/35/959711035.db2.gz ILIHMFQQHFINQJ-JTQLQIEISA-N 1 2 243.314 1.956 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000694466612 959886734 /nfs/dbraw/zinc/88/67/34/959886734.db2.gz IAQONALWTUTMLQ-JLLWLGSASA-N 1 2 221.304 1.554 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(OC2CC(O)C2)cc1 ZINC001218258692 959919980 /nfs/dbraw/zinc/91/99/80/959919980.db2.gz OGOHVXYQKMTRGX-UHFFFAOYSA-N 1 2 244.294 1.989 20 0 BDADLO OCC[C@@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000694966868 960060726 /nfs/dbraw/zinc/06/07/26/960060726.db2.gz SEWBDQCZVDHVHZ-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO OCC[C@@H]1COCC[N@H+]1CCC(F)(F)F ZINC000694966868 960060740 /nfs/dbraw/zinc/06/07/40/960060740.db2.gz SEWBDQCZVDHVHZ-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO OCC[C@H]1COCC[N@H+]1CCC(F)(F)F ZINC000694966869 960062219 /nfs/dbraw/zinc/06/22/19/960062219.db2.gz SEWBDQCZVDHVHZ-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO OCC[C@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000694966869 960062209 /nfs/dbraw/zinc/06/22/09/960062209.db2.gz SEWBDQCZVDHVHZ-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO CCC[N@H+](CCNC(C)=O)Cc1ncc(C)o1 ZINC001481127900 960118279 /nfs/dbraw/zinc/11/82/79/960118279.db2.gz DWCWPABSOVHAKG-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO CCC[N@@H+](CCNC(C)=O)Cc1ncc(C)o1 ZINC001481127900 960118289 /nfs/dbraw/zinc/11/82/89/960118289.db2.gz DWCWPABSOVHAKG-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO CCNC(=S)NCCCCn1cc[nH+]c1 ZINC000136138334 960130026 /nfs/dbraw/zinc/13/00/26/960130026.db2.gz SQJBQISQDDMMDO-UHFFFAOYSA-N 1 2 226.349 1.147 20 0 BDADLO CCC(CC)[C@@H](C)C(=O)NC1C[NH+](CC)C1 ZINC001267651470 960170410 /nfs/dbraw/zinc/17/04/10/960170410.db2.gz ZMSOIYOMLUMEQV-SNVBAGLBSA-N 1 2 226.364 1.879 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnccc2C)C[C@H]1C ZINC001141048659 960260792 /nfs/dbraw/zinc/26/07/92/960260792.db2.gz WZTRSZQHQGNRIB-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnccc2C)C[C@H]1C ZINC001141048659 960260801 /nfs/dbraw/zinc/26/08/01/960260801.db2.gz WZTRSZQHQGNRIB-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC001141132856 960357207 /nfs/dbraw/zinc/35/72/07/960357207.db2.gz SLHKYUWHMZGJKI-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC001141132856 960357217 /nfs/dbraw/zinc/35/72/17/960357217.db2.gz SLHKYUWHMZGJKI-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO OCc1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC001140684445 960500862 /nfs/dbraw/zinc/50/08/62/960500862.db2.gz NOUCMAWDSLWUQA-UHFFFAOYSA-N 1 2 217.215 1.469 20 0 BDADLO COC1C[NH+](Cc2ccc3ncn(C)c3c2)C1 ZINC001140734758 960533312 /nfs/dbraw/zinc/53/33/12/960533312.db2.gz MOAWZZZJMCLCQL-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO Cc1cc(F)ccc1C[NH+]1CC2(CN(C)C2)C1 ZINC001140780585 960564988 /nfs/dbraw/zinc/56/49/88/960564988.db2.gz FVUYGYILQISDOX-UHFFFAOYSA-N 1 2 234.318 1.882 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)n[nH]1 ZINC001203069893 960617033 /nfs/dbraw/zinc/61/70/33/960617033.db2.gz DRAAEVFYUKDJLI-QWRGUYRKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)n[nH]1 ZINC001203069893 960617046 /nfs/dbraw/zinc/61/70/46/960617046.db2.gz DRAAEVFYUKDJLI-QWRGUYRKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCCO3)n[nH]1 ZINC001203070571 960627582 /nfs/dbraw/zinc/62/75/82/960627582.db2.gz ZFEBRNJEMRNRQF-ZDUSSCGKSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)n[nH]1 ZINC001203070571 960627592 /nfs/dbraw/zinc/62/75/92/960627592.db2.gz ZFEBRNJEMRNRQF-ZDUSSCGKSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001327267034 972525893 /nfs/dbraw/zinc/52/58/93/972525893.db2.gz JPDCITHUDXSHSS-LAEOZQHASA-N 1 2 246.318 1.666 20 0 BDADLO Nc1cccc(F)c1C[N@@H+]1CCOC2(CC2)C1 ZINC001140876606 960659580 /nfs/dbraw/zinc/65/95/80/960659580.db2.gz HRABEJHTLFIRJU-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO Nc1cccc(F)c1C[N@H+]1CCOC2(CC2)C1 ZINC001140876606 960659587 /nfs/dbraw/zinc/65/95/87/960659587.db2.gz HRABEJHTLFIRJU-UHFFFAOYSA-N 1 2 236.290 1.773 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1N ZINC001140902001 960677935 /nfs/dbraw/zinc/67/79/35/960677935.db2.gz QZCWEWSDKNTMPU-YPMHNXCESA-N 1 2 234.299 1.251 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1N ZINC001140902001 960677947 /nfs/dbraw/zinc/67/79/47/960677947.db2.gz QZCWEWSDKNTMPU-YPMHNXCESA-N 1 2 234.299 1.251 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ccncc3C2)n[nH]1 ZINC001203077025 960686361 /nfs/dbraw/zinc/68/63/61/960686361.db2.gz OIXOXYRISQCVBC-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ccncc3C2)n[nH]1 ZINC001203077025 960686366 /nfs/dbraw/zinc/68/63/66/960686366.db2.gz OIXOXYRISQCVBC-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3cnco3)C2)C1 ZINC001140934275 960717042 /nfs/dbraw/zinc/71/70/42/960717042.db2.gz YYHLDLCMSZNCFS-MRVPVSSYSA-N 1 2 228.292 1.704 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1COc2cnccc21 ZINC001222600166 960719561 /nfs/dbraw/zinc/71/95/61/960719561.db2.gz MJJIZLXYQYSCLH-LBPRGKRZSA-N 1 2 231.255 1.465 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](OC(C)C)C2)n[nH]1 ZINC001203082375 960760375 /nfs/dbraw/zinc/76/03/75/960760375.db2.gz QHGWMRYRZKURHL-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](OC(C)C)C2)n[nH]1 ZINC001203082375 960760388 /nfs/dbraw/zinc/76/03/88/960760388.db2.gz QHGWMRYRZKURHL-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@H]1C[N@H+](Cc2csnn2)CCC[C@@H]1O ZINC001140992781 960792487 /nfs/dbraw/zinc/79/24/87/960792487.db2.gz WZWKAMLISQDYBI-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1C[N@@H+](Cc2csnn2)CCC[C@@H]1O ZINC001140992781 960792504 /nfs/dbraw/zinc/79/25/04/960792504.db2.gz WZWKAMLISQDYBI-WPRPVWTQSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@@H+](Cc1ncco1)C[C@@H]1CCCCO1 ZINC001141007280 960809253 /nfs/dbraw/zinc/80/92/53/960809253.db2.gz FXWQPCZAGZLVNB-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO C[N@H+](Cc1ncco1)C[C@@H]1CCCCO1 ZINC001141007280 960809254 /nfs/dbraw/zinc/80/92/54/960809254.db2.gz FXWQPCZAGZLVNB-JTQLQIEISA-N 1 2 210.277 1.676 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@H+](Cc3ncco3)C2)N1 ZINC001141008154 960809260 /nfs/dbraw/zinc/80/92/60/960809260.db2.gz PADASUQJSKMBCZ-ZDUSSCGKSA-N 1 2 249.314 1.309 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3ncco3)C2)N1 ZINC001141008154 960809264 /nfs/dbraw/zinc/80/92/64/960809264.db2.gz PADASUQJSKMBCZ-ZDUSSCGKSA-N 1 2 249.314 1.309 20 0 BDADLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ncco2)C1 ZINC001141010412 960811407 /nfs/dbraw/zinc/81/14/07/960811407.db2.gz QMKIMFVMLZPYFV-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncco2)C1 ZINC001141010412 960811408 /nfs/dbraw/zinc/81/14/08/960811408.db2.gz QMKIMFVMLZPYFV-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CN1C(=O)CCC12CC[NH+](Cc1ncco1)CC2 ZINC001141012621 960815996 /nfs/dbraw/zinc/81/59/96/960815996.db2.gz SHLHNPQQQRRVIC-UHFFFAOYSA-N 1 2 249.314 1.261 20 0 BDADLO CC1C[NH+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011590 960817067 /nfs/dbraw/zinc/81/70/67/960817067.db2.gz JIPXWTNVMXVXAP-UHFFFAOYSA-N 1 2 219.210 1.880 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011737 960817245 /nfs/dbraw/zinc/81/72/45/960817245.db2.gz NQQBBAHSARLGTF-MRVPVSSYSA-N 1 2 249.236 1.649 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011737 960817246 /nfs/dbraw/zinc/81/72/46/960817246.db2.gz NQQBBAHSARLGTF-MRVPVSSYSA-N 1 2 249.236 1.649 20 0 BDADLO c1coc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)n1 ZINC001141012759 960817880 /nfs/dbraw/zinc/81/78/80/960817880.db2.gz ZGYWWNQWOUHYDZ-SNVBAGLBSA-N 1 2 246.270 1.118 20 0 BDADLO c1coc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)n1 ZINC001141012759 960817896 /nfs/dbraw/zinc/81/78/96/960817896.db2.gz ZGYWWNQWOUHYDZ-SNVBAGLBSA-N 1 2 246.270 1.118 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn3ccnc3c2)[C@H](C)CO1 ZINC001141046846 960834211 /nfs/dbraw/zinc/83/42/11/960834211.db2.gz RWGSUMLWTRQVLF-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn3ccnc3c2)[C@H](C)CO1 ZINC001141046846 960834219 /nfs/dbraw/zinc/83/42/19/960834219.db2.gz RWGSUMLWTRQVLF-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO F[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@@H]1F ZINC001141047920 960835673 /nfs/dbraw/zinc/83/56/73/960835673.db2.gz WPIMZZAVBHNNSN-PHIMTYICSA-N 1 2 237.253 1.826 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001141051629 960841578 /nfs/dbraw/zinc/84/15/78/960841578.db2.gz JHBGJCJXMWTYFB-SECBINFHSA-N 1 2 222.288 1.784 20 0 BDADLO Cc1ncoc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001141051629 960841582 /nfs/dbraw/zinc/84/15/82/960841582.db2.gz JHBGJCJXMWTYFB-SECBINFHSA-N 1 2 222.288 1.784 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCc2ccncc2C1 ZINC001141052704 960846785 /nfs/dbraw/zinc/84/67/85/960846785.db2.gz DQBDLTJRCDPIJG-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncoc1C[N@H+]1CCc2ccncc2C1 ZINC001141052704 960846794 /nfs/dbraw/zinc/84/67/94/960846794.db2.gz DQBDLTJRCDPIJG-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)co1 ZINC001141126623 960870827 /nfs/dbraw/zinc/87/08/27/960870827.db2.gz PVMWYHKKVACVGB-CMPLNLGQSA-N 1 2 222.288 1.676 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)co1 ZINC001141126623 960870838 /nfs/dbraw/zinc/87/08/38/960870838.db2.gz PVMWYHKKVACVGB-CMPLNLGQSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3cocn3)CC2)no1 ZINC001141129938 960876363 /nfs/dbraw/zinc/87/63/63/960876363.db2.gz XNZIOLZIIQLOTP-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO CC(C)c1coc(NC(=O)C[NH+](C)C)n1 ZINC001141140796 960887831 /nfs/dbraw/zinc/88/78/31/960887831.db2.gz OARZJJLAPXARGK-UHFFFAOYSA-N 1 2 211.265 1.298 20 0 BDADLO c1cc2c(o1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001203099192 960903600 /nfs/dbraw/zinc/90/36/00/960903600.db2.gz LHBXVMYEFBAUQL-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO c1cc2c(o1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001203099192 960903633 /nfs/dbraw/zinc/90/36/33/960903633.db2.gz LHBXVMYEFBAUQL-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO O[C@@H](C[N@@H+]1CC[C@H](F)C1)c1ccccc1F ZINC000689818331 960919939 /nfs/dbraw/zinc/91/99/39/960919939.db2.gz QPPCFILYZSYYNI-CABZTGNLSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@@H](C[N@H+]1CC[C@H](F)C1)c1ccccc1F ZINC000689818331 960919971 /nfs/dbraw/zinc/91/99/71/960919971.db2.gz QPPCFILYZSYYNI-CABZTGNLSA-N 1 2 227.254 1.903 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001141270311 961031453 /nfs/dbraw/zinc/03/14/53/961031453.db2.gz PGSKIDATYWHNIF-UONOGXRCSA-N 1 2 232.327 1.726 20 0 BDADLO CN(C)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001141270311 961031478 /nfs/dbraw/zinc/03/14/78/961031478.db2.gz PGSKIDATYWHNIF-UONOGXRCSA-N 1 2 232.327 1.726 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001481527512 961122473 /nfs/dbraw/zinc/12/24/73/961122473.db2.gz MNPHXMNDNWOUQR-ZJUUUORDSA-N 1 2 234.290 1.285 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001481527512 961122493 /nfs/dbraw/zinc/12/24/93/961122493.db2.gz MNPHXMNDNWOUQR-ZJUUUORDSA-N 1 2 234.290 1.285 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC001141962041 961191863 /nfs/dbraw/zinc/19/18/63/961191863.db2.gz PZTGUDPIWRLNDG-LBPRGKRZSA-N 1 2 247.294 1.969 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC001141962041 961191867 /nfs/dbraw/zinc/19/18/67/961191867.db2.gz PZTGUDPIWRLNDG-LBPRGKRZSA-N 1 2 247.294 1.969 20 0 BDADLO CC(C)(C)c1nc[nH]c1C[NH+]1CC2(COC2)C1 ZINC001142209212 961343414 /nfs/dbraw/zinc/34/34/14/961343414.db2.gz IMRQPELNHXKACP-UHFFFAOYSA-N 1 2 235.331 1.539 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)/C=C/c1ccoc1 ZINC001142264952 961384241 /nfs/dbraw/zinc/38/42/41/961384241.db2.gz FXFPQBZLBKXFAC-NSCUHMNNSA-N 1 2 245.282 1.385 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C1=COCC1 ZINC001142553606 961494701 /nfs/dbraw/zinc/49/47/01/961494701.db2.gz WSSYIYDTSOINSL-UHFFFAOYSA-N 1 2 230.267 1.235 20 0 BDADLO CC/C=C(\C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001142668777 961584131 /nfs/dbraw/zinc/58/41/31/961584131.db2.gz WGZISXPLXNOBCE-NYYWCZLTSA-N 1 2 233.315 1.624 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)C1CC1 ZINC001142680828 961599014 /nfs/dbraw/zinc/59/90/14/961599014.db2.gz GJYMURKELQBRBI-UHFFFAOYSA-N 1 2 219.288 1.634 20 0 BDADLO c1nc2cccc(C[NH+]3CC4(C3)CCCO4)c2[nH]1 ZINC001142676382 961602077 /nfs/dbraw/zinc/60/20/77/961602077.db2.gz GVYZPRVLPADLLQ-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142676629 961604204 /nfs/dbraw/zinc/60/42/04/961604204.db2.gz LRJGWBCZCYVVHU-CMPLNLGQSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142676629 961604215 /nfs/dbraw/zinc/60/42/15/961604215.db2.gz LRJGWBCZCYVVHU-CMPLNLGQSA-N 1 2 249.289 1.468 20 0 BDADLO N#CN1CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142700128 961650105 /nfs/dbraw/zinc/65/01/05/961650105.db2.gz MHVBVJIGZGHZEC-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C(F)(F)F ZINC001142761028 961709741 /nfs/dbraw/zinc/70/97/41/961709741.db2.gz UGTRCEBZPXFGAB-UHFFFAOYSA-N 1 2 229.161 1.835 20 0 BDADLO c1cc2c(nccc2C[N@@H+]2CCO[C@H]3C[C@H]32)[nH]1 ZINC001142883870 961811642 /nfs/dbraw/zinc/81/16/42/961811642.db2.gz QLTVJMFYXYKOMN-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2c(nccc2C[N@H+]2CCO[C@H]3C[C@H]32)[nH]1 ZINC001142883870 961811643 /nfs/dbraw/zinc/81/16/43/961811643.db2.gz QLTVJMFYXYKOMN-NEPJUHHUSA-N 1 2 229.283 1.536 20 0 BDADLO C[NH+]1CC(NC(=O)c2cccc3ccsc32)C1 ZINC001149523085 962095388 /nfs/dbraw/zinc/09/53/88/962095388.db2.gz FADBFDZQXPOJAQ-UHFFFAOYSA-N 1 2 246.335 1.945 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(O)cc1O ZINC001153762732 962634583 /nfs/dbraw/zinc/63/45/83/962634583.db2.gz RISMFVIFCNVXQF-UHFFFAOYSA-N 1 2 247.254 1.392 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(O)cc1O ZINC001153762732 962634595 /nfs/dbraw/zinc/63/45/95/962634595.db2.gz RISMFVIFCNVXQF-UHFFFAOYSA-N 1 2 247.254 1.392 20 0 BDADLO CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001269754880 962784992 /nfs/dbraw/zinc/78/49/92/962784992.db2.gz FQAXOYSUWFLTBM-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO COc1cc(C)c[nH+]c1NCc1nccn1C ZINC001154617401 962809119 /nfs/dbraw/zinc/80/91/19/962809119.db2.gz MVPRIXPVGYBGPH-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO CSCc1cc[nH+]c(NCCn2ccnn2)c1 ZINC001154622136 962815398 /nfs/dbraw/zinc/81/53/98/962815398.db2.gz GUZDZSVTCQLVGH-UHFFFAOYSA-N 1 2 249.343 1.648 20 0 BDADLO c1nnn2c1CN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001154828934 962860038 /nfs/dbraw/zinc/86/00/38/962860038.db2.gz CNRVRTZILUYNTO-UHFFFAOYSA-N 1 2 241.298 1.571 20 0 BDADLO FC1CC(Nc2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001154843250 962867143 /nfs/dbraw/zinc/86/71/43/962867143.db2.gz JQWHXPSUESXNEX-UHFFFAOYSA-N 1 2 247.277 1.634 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@H]1CCS(=O)(=O)C1 ZINC001155057006 962953122 /nfs/dbraw/zinc/95/31/22/962953122.db2.gz UURVBAFFPXIQNI-QMMMGPOBSA-N 1 2 244.291 1.128 20 0 BDADLO Cc1c(F)ncnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000696419438 962979453 /nfs/dbraw/zinc/97/94/53/962979453.db2.gz YDCZJTQYVQQBEI-QMMMGPOBSA-N 1 2 235.266 1.621 20 0 BDADLO Cn1cnc2ncnc(NC(=[NH2+])C(C)(C)C)c21 ZINC001155176263 962998174 /nfs/dbraw/zinc/99/81/74/962998174.db2.gz WNPXLDDCCZYXKM-UHFFFAOYSA-N 1 2 232.291 1.799 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2ccc3occc3n2)C1 ZINC001155196886 963015228 /nfs/dbraw/zinc/01/52/28/963015228.db2.gz OWIPNIUDNYPZTP-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2ccc3occc3n2)C1 ZINC001155196886 963015244 /nfs/dbraw/zinc/01/52/44/963015244.db2.gz OWIPNIUDNYPZTP-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC001155194530 963019153 /nfs/dbraw/zinc/01/91/53/963019153.db2.gz RZOILRAGORXUCY-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC001155194530 963019159 /nfs/dbraw/zinc/01/91/59/963019159.db2.gz RZOILRAGORXUCY-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO CC(=O)NCCNc1c[nH+]cc(C)c1C ZINC001161658108 963056880 /nfs/dbraw/zinc/05/68/80/963056880.db2.gz GOKACVDYFNEYJC-UHFFFAOYSA-N 1 2 207.277 1.246 20 0 BDADLO C[NH+](C)CC(C)(C)[NH2+]CCCCC(=O)[O-] ZINC000308574022 963288269 /nfs/dbraw/zinc/28/82/69/963288269.db2.gz DKBOCRPRDFIGHY-UHFFFAOYSA-N 1 2 216.325 1.171 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)[C@@H](F)c1ccccc1)C2 ZINC001270948531 963305245 /nfs/dbraw/zinc/30/52/45/963305245.db2.gz RTRMPQQCMWBKBI-LBPRGKRZSA-N 1 2 248.301 1.614 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)[C@@H](F)c1ccccc1)C2 ZINC001270948531 963305258 /nfs/dbraw/zinc/30/52/58/963305258.db2.gz RTRMPQQCMWBKBI-LBPRGKRZSA-N 1 2 248.301 1.614 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)C1(C)CCCCC1)C2 ZINC001271045816 963334909 /nfs/dbraw/zinc/33/49/09/963334909.db2.gz JJWLHAHOJVAVCG-UHFFFAOYSA-N 1 2 236.359 1.873 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)C1(C)CCCCC1)C2 ZINC001271045816 963334917 /nfs/dbraw/zinc/33/49/17/963334917.db2.gz JJWLHAHOJVAVCG-UHFFFAOYSA-N 1 2 236.359 1.873 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)no1 ZINC000721836412 963372692 /nfs/dbraw/zinc/37/26/92/963372692.db2.gz ZVHPAWYXCUOTTE-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)no1 ZINC000721836412 963372702 /nfs/dbraw/zinc/37/27/02/963372702.db2.gz ZVHPAWYXCUOTTE-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1CCN(C)C1=O ZINC001156507691 963377055 /nfs/dbraw/zinc/37/70/55/963377055.db2.gz YHJOUJIUFYTZGE-VIFPVBQESA-N 1 2 235.287 1.041 20 0 BDADLO CCc1[nH]c(CNC(=O)c2nccs2)c[nH+]1 ZINC001156538010 963379775 /nfs/dbraw/zinc/37/97/75/963379775.db2.gz HJCBCQLSHOENNO-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1[nH]c(CNC(=O)Cc2cccnc2)c[nH+]1 ZINC001156537948 963382757 /nfs/dbraw/zinc/38/27/57/963382757.db2.gz FBNCXKUJLVWSDV-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO CCc1[nH]cc(CNC(=O)Cc2cccnc2)[nH+]1 ZINC001156537948 963382768 /nfs/dbraw/zinc/38/27/68/963382768.db2.gz FBNCXKUJLVWSDV-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO COc1cncc(NCc2cc[nH+]c(N)c2)n1 ZINC001156755965 963453956 /nfs/dbraw/zinc/45/39/56/963453956.db2.gz LKDZDQMSGTWQRP-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Cc1cnc(NCc2cc[nH+]c(N)c2)c(C)n1 ZINC001156755994 963455378 /nfs/dbraw/zinc/45/53/78/963455378.db2.gz MYPOCIZCYPHSNP-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1nc(NCc2cc[nH+]c(N)c2)ncc1F ZINC001156757313 963455385 /nfs/dbraw/zinc/45/53/85/963455385.db2.gz RIIIXCPAQBXLHA-UHFFFAOYSA-N 1 2 233.250 1.513 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)CCCC1=O ZINC001204384517 963457427 /nfs/dbraw/zinc/45/74/27/963457427.db2.gz WDRQZEHVZGJVJY-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)CCCC1=O ZINC001204384517 963457429 /nfs/dbraw/zinc/45/74/29/963457429.db2.gz WDRQZEHVZGJVJY-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CCCC1=O ZINC001204384517 963457432 /nfs/dbraw/zinc/45/74/32/963457432.db2.gz WDRQZEHVZGJVJY-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052721648 963517566 /nfs/dbraw/zinc/51/75/66/963517566.db2.gz PGJTYAXEDQXEEE-UHFFFAOYSA-N 1 2 235.331 1.734 20 0 BDADLO CNc1ncccc1C[N@H+]1CCOC(C)(C)C1 ZINC000052721648 963517570 /nfs/dbraw/zinc/51/75/70/963517570.db2.gz PGJTYAXEDQXEEE-UHFFFAOYSA-N 1 2 235.331 1.734 20 0 BDADLO CCCNc1cc(OC)c(C(=O)OC)c[nH+]1 ZINC001157358311 963581933 /nfs/dbraw/zinc/58/19/33/963581933.db2.gz QBUKITHCYDCDHQ-UHFFFAOYSA-N 1 2 224.260 1.699 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168076656 963617609 /nfs/dbraw/zinc/61/76/09/963617609.db2.gz ZHQVGVMLWPFDDC-SDDRHHMPSA-N 1 2 243.347 1.875 20 0 BDADLO CCC1(Nc2[nH+]cc(C)cc2OC)COC1 ZINC001157540288 963653783 /nfs/dbraw/zinc/65/37/83/963653783.db2.gz OYCFGUMTECXMGT-UHFFFAOYSA-N 1 2 222.288 1.990 20 0 BDADLO COCC[N@H+](CCF)Cc1nc(C)ccc1O ZINC000697045150 963678368 /nfs/dbraw/zinc/67/83/68/963678368.db2.gz BPYGZMZGEFBRJU-UHFFFAOYSA-N 1 2 242.294 1.514 20 0 BDADLO COCC[N@@H+](CCF)Cc1nc(C)ccc1O ZINC000697045150 963678379 /nfs/dbraw/zinc/67/83/79/963678379.db2.gz BPYGZMZGEFBRJU-UHFFFAOYSA-N 1 2 242.294 1.514 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CCO[C@H](C)C1 ZINC001168112824 963755397 /nfs/dbraw/zinc/75/53/97/963755397.db2.gz DMLJRBUBWVCPNX-DBIOUOCHSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CCO[C@H](C)C1 ZINC001168112824 963755401 /nfs/dbraw/zinc/75/54/01/963755401.db2.gz DMLJRBUBWVCPNX-DBIOUOCHSA-N 1 2 245.294 1.139 20 0 BDADLO CCSc1cc[nH+]c(NCCn2cnnc2)c1 ZINC001158039114 963797222 /nfs/dbraw/zinc/79/72/22/963797222.db2.gz STVRTJYUKOSIJJ-UHFFFAOYSA-N 1 2 249.343 1.897 20 0 BDADLO CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001482574214 963809051 /nfs/dbraw/zinc/80/90/51/963809051.db2.gz XFQZGHDKWQJBSV-SNVBAGLBSA-N 1 2 239.319 1.454 20 0 BDADLO CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001482574214 963809055 /nfs/dbraw/zinc/80/90/55/963809055.db2.gz XFQZGHDKWQJBSV-SNVBAGLBSA-N 1 2 239.319 1.454 20 0 BDADLO NC(=O)CCNc1cc2ccccc2c[nH+]1 ZINC001158105676 963809112 /nfs/dbraw/zinc/80/91/12/963809112.db2.gz JZKFMKFKOXTQQN-UHFFFAOYSA-N 1 2 215.256 1.522 20 0 BDADLO CCCNc1cc[nH+]c(OCCOC)c1 ZINC001168137122 963833487 /nfs/dbraw/zinc/83/34/87/963833487.db2.gz NQPKGPHFCPDTFN-UHFFFAOYSA-N 1 2 210.277 1.929 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@H]1COC(=O)C1 ZINC001158248060 963840793 /nfs/dbraw/zinc/84/07/93/963840793.db2.gz LIASZFFRSVPJGB-SSDOTTSWSA-N 1 2 210.208 1.257 20 0 BDADLO Cn1c[nH+]cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001204387270 963950159 /nfs/dbraw/zinc/95/01/59/963950159.db2.gz KJISMXSRZWTLRG-UHFFFAOYSA-N 1 2 243.257 1.030 20 0 BDADLO Cc1c[nH+]c(Nc2cc(=O)n(C)c(=O)[nH]2)c(C)c1 ZINC001159004826 963974114 /nfs/dbraw/zinc/97/41/14/963974114.db2.gz SDDCIVPIUZEHFT-UHFFFAOYSA-N 1 2 246.270 1.241 20 0 BDADLO Nc1cc(NCCC(=O)c2ccccc2)[nH+]cn1 ZINC001159021247 963975222 /nfs/dbraw/zinc/97/52/22/963975222.db2.gz UQNXIMSBLVSMTB-UHFFFAOYSA-N 1 2 242.282 1.744 20 0 BDADLO Cn1c[nH+]c2ccc(NC[C@H]3COCCO3)cc21 ZINC001168268190 964144789 /nfs/dbraw/zinc/14/47/89/964144789.db2.gz YYPPIJPXQFAAFB-NSHDSACASA-N 1 2 247.298 1.401 20 0 BDADLO COC(C[N@H+](C)Cc1cn2ccccc2n1)OC ZINC000714568759 964231894 /nfs/dbraw/zinc/23/18/94/964231894.db2.gz SHFJBYRUURUKEF-UHFFFAOYSA-N 1 2 249.314 1.385 20 0 BDADLO COC(C[N@@H+](C)Cc1cn2ccccc2n1)OC ZINC000714568759 964231915 /nfs/dbraw/zinc/23/19/15/964231915.db2.gz SHFJBYRUURUKEF-UHFFFAOYSA-N 1 2 249.314 1.385 20 0 BDADLO CC1(CO)C[NH+](Cc2cnc3ccccn23)C1 ZINC001203144593 964247729 /nfs/dbraw/zinc/24/77/29/964247729.db2.gz OWCJPTLNILEBKR-UHFFFAOYSA-N 1 2 231.299 1.149 20 0 BDADLO CCc1cccnc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095471 964255250 /nfs/dbraw/zinc/25/52/50/964255250.db2.gz JXBQIXGYDJJOCT-UHFFFAOYSA-N 1 2 244.298 1.900 20 0 BDADLO CCCc1ccnc(Nc2nccnc2C[NH3+])n1 ZINC001160245843 964272767 /nfs/dbraw/zinc/27/27/67/964272767.db2.gz MHUZUSBEMPJMJH-UHFFFAOYSA-N 1 2 244.302 1.421 20 0 BDADLO COc1c[nH+]c(NCC[C@@H](C)CO)c(C)c1 ZINC001160603002 964351981 /nfs/dbraw/zinc/35/19/81/964351981.db2.gz AJTUZIGQEPAANZ-SECBINFHSA-N 1 2 224.304 1.829 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](C)CNC(C)=O ZINC001160653415 964371039 /nfs/dbraw/zinc/37/10/39/964371039.db2.gz JRXYMAJIBOLWAV-VIFPVBQESA-N 1 2 237.303 1.274 20 0 BDADLO CC(C)[NH+]1CC(Nc2ccc3[nH]c(=O)cc-3[nH]2)C1 ZINC001168313647 964416385 /nfs/dbraw/zinc/41/63/85/964416385.db2.gz BCJVINGXUHPQRB-UHFFFAOYSA-N 1 2 246.314 1.081 20 0 BDADLO Cc1ccnnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319067 964571403 /nfs/dbraw/zinc/57/14/03/964571403.db2.gz JCPHNEBZENBTRO-UHFFFAOYSA-N 1 2 241.298 1.481 20 0 BDADLO Nc1cc(N[C@H]2CCCc3nccnc32)[nH+]cn1 ZINC001161408384 964593035 /nfs/dbraw/zinc/59/30/35/964593035.db2.gz DMFDIOKTARTBDS-VIFPVBQESA-N 1 2 242.286 1.338 20 0 BDADLO CC(=O)c1ccsc1NC(=O)C1C[NH+](C)C1 ZINC001142592423 964654082 /nfs/dbraw/zinc/65/40/82/964654082.db2.gz WERZKKRJRPAACF-UHFFFAOYSA-N 1 2 238.312 1.451 20 0 BDADLO Nc1cnc(NCCCn2cc[nH+]c2)c(F)c1 ZINC001161682637 964685420 /nfs/dbraw/zinc/68/54/20/964685420.db2.gz UKAWTOCUPOWOCR-UHFFFAOYSA-N 1 2 235.266 1.502 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2CCO[C@@H](C)C2)c1C(N)=O ZINC001161691535 964691504 /nfs/dbraw/zinc/69/15/04/964691504.db2.gz OWWOCYXFXXTCLQ-VHSXEESVSA-N 1 2 249.314 1.468 20 0 BDADLO CN(C)c1cc(NCCc2cnoc2)[nH+]cn1 ZINC001161698465 964695362 /nfs/dbraw/zinc/69/53/62/964695362.db2.gz YNOUGNVBWAEIKM-UHFFFAOYSA-N 1 2 233.275 1.185 20 0 BDADLO CN(C)c1cc(NCCc2cnoc2)nc[nH+]1 ZINC001161698465 964695370 /nfs/dbraw/zinc/69/53/70/964695370.db2.gz YNOUGNVBWAEIKM-UHFFFAOYSA-N 1 2 233.275 1.185 20 0 BDADLO CCC[NH2+]C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001483129924 964734609 /nfs/dbraw/zinc/73/46/09/964734609.db2.gz MEQKZSPFYSXACK-RNFRBKRXSA-N 1 2 244.232 1.391 20 0 BDADLO CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001483129924 964734633 /nfs/dbraw/zinc/73/46/33/964734633.db2.gz MEQKZSPFYSXACK-RNFRBKRXSA-N 1 2 244.232 1.391 20 0 BDADLO Cc1cc(N[C@H](CO)[C@@H](C)O)ccc1[NH+](C)C ZINC001161777580 964751085 /nfs/dbraw/zinc/75/10/85/964751085.db2.gz BRGMQFCXRVTSKA-ZYHUDNBSSA-N 1 2 238.331 1.215 20 0 BDADLO Cc1cc(N[C@H](CO)[C@@H](C)O)[nH+]c2cc[nH]c21 ZINC001161782769 964753073 /nfs/dbraw/zinc/75/30/73/964753073.db2.gz VOUPWLNUZYBISO-PSASIEDQSA-N 1 2 235.287 1.025 20 0 BDADLO c1cn(CCNc2ccn3cc[nH+]c3c2)nn1 ZINC001161926172 964817180 /nfs/dbraw/zinc/81/71/80/964817180.db2.gz KMJOXCKDVQMHHD-UHFFFAOYSA-N 1 2 228.259 1.038 20 0 BDADLO Cc1cc(C)n(CCNc2cc[nH+]cc2F)n1 ZINC001162147894 964854830 /nfs/dbraw/zinc/85/48/30/964854830.db2.gz GYKIKNLRWKRXPS-UHFFFAOYSA-N 1 2 234.278 1.568 20 0 BDADLO O=C1CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142672645 964881452 /nfs/dbraw/zinc/88/14/52/964881452.db2.gz HNIYDSFTSSNROQ-UHFFFAOYSA-N 1 2 229.283 1.728 20 0 BDADLO c1nc2cccc(C[NH+]3CCOCC3)c2[nH]1 ZINC001142672763 964881516 /nfs/dbraw/zinc/88/15/16/964881516.db2.gz LOUIAHZYZSHSEL-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO CCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000170208135 964883524 /nfs/dbraw/zinc/88/35/24/964883524.db2.gz VFNYAYFOBIGXIZ-UHFFFAOYSA-N 1 2 209.293 1.269 20 0 BDADLO c1ccn(-c2ccc[nH+]c2NCc2ncon2)c1 ZINC001162275951 964903537 /nfs/dbraw/zinc/90/35/37/964903537.db2.gz RYFWKHQSCXKDNV-UHFFFAOYSA-N 1 2 241.254 1.867 20 0 BDADLO CS(=O)(=O)CCNc1c[nH+]c2c(c1)CCC2 ZINC001162323781 964928404 /nfs/dbraw/zinc/92/84/04/964928404.db2.gz YMKUZHBCXYJOKB-UHFFFAOYSA-N 1 2 240.328 1.027 20 0 BDADLO COC(=O)c1csc(CNc2cccc[nH+]2)n1 ZINC001162482645 964994646 /nfs/dbraw/zinc/99/46/46/964994646.db2.gz YRFGAJOAJMXQTL-UHFFFAOYSA-N 1 2 249.295 1.937 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](O)c1ccncc1 ZINC001162543598 965031014 /nfs/dbraw/zinc/03/10/14/965031014.db2.gz CDQWUCRXKAEGLI-LLVKDONJSA-N 1 2 245.282 1.631 20 0 BDADLO C/C(=C\C=C\N)[NH2+][C@H]1c2cc(C)ccc2NC1=O ZINC001162570383 965054508 /nfs/dbraw/zinc/05/45/08/965054508.db2.gz MTINKNJABFWONZ-GNOQMTQVSA-N 1 2 243.310 1.954 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1cncn2cnnc12 ZINC001162665919 965102999 /nfs/dbraw/zinc/10/29/99/965102999.db2.gz SRUWMHZBEZULPF-UHFFFAOYSA-N 1 2 218.264 1.560 20 0 BDADLO Nc1nc(=O)c(F)cn1-c1c[nH+]cc2cc[nH]c21 ZINC001163005891 965224851 /nfs/dbraw/zinc/22/48/51/965224851.db2.gz UMCYSGVCADCCNP-UHFFFAOYSA-N 1 2 245.217 1.073 20 0 BDADLO CC[C@H](CO)Nc1[nH+]cc(OC)cc1C ZINC001163044589 965241653 /nfs/dbraw/zinc/24/16/53/965241653.db2.gz CPPHZKPOENXXEA-SECBINFHSA-N 1 2 210.277 1.581 20 0 BDADLO CC[C@@H](CO)Nc1cc(N(CC)CC)nc[nH+]1 ZINC001163045434 965242176 /nfs/dbraw/zinc/24/21/76/965242176.db2.gz PJDXJMWENUQECP-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@@H](CO)Nc1cc(N(CC)CC)[nH+]cn1 ZINC001163045434 965242187 /nfs/dbraw/zinc/24/21/87/965242187.db2.gz PJDXJMWENUQECP-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO c1c2ccncc2[nH]c1C[N@@H+]1CCOC2(CC2)C1 ZINC001232098009 965305045 /nfs/dbraw/zinc/30/50/45/965305045.db2.gz XTLGLAROZOPEQT-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1c2ccncc2[nH]c1C[N@H+]1CCOC2(CC2)C1 ZINC001232098009 965305060 /nfs/dbraw/zinc/30/50/60/965305060.db2.gz XTLGLAROZOPEQT-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO Cc1ccc2cc(NC[C@@H](O)CO)[nH+]cc2c1 ZINC001163348410 965345873 /nfs/dbraw/zinc/34/58/73/965345873.db2.gz ZWYVNKBSZWQFPK-GFCCVEGCSA-N 1 2 232.283 1.308 20 0 BDADLO Cc1nc(N2CCCC[C@H]2CO)c(C)c(C)[nH+]1 ZINC001163559520 965450091 /nfs/dbraw/zinc/45/00/91/965450091.db2.gz SAIHERQPVSOWRJ-LBPRGKRZSA-N 1 2 235.331 1.753 20 0 BDADLO CCCc1cc(N2CCN(C)C(=O)C2)nc(C)[nH+]1 ZINC001163631883 965487340 /nfs/dbraw/zinc/48/73/40/965487340.db2.gz GJQFAVWSWBHLRL-UHFFFAOYSA-N 1 2 248.330 1.016 20 0 BDADLO CN1CCN(c2cccc(C3CC3)[nH+]2)CC1=O ZINC001163637532 965491630 /nfs/dbraw/zinc/49/16/30/965491630.db2.gz NAVHXJZRTDNZMZ-UHFFFAOYSA-N 1 2 231.299 1.237 20 0 BDADLO COCC(C)=CC(=O)Nc1c(C)c[nH+]cc1C ZINC001121231171 965521968 /nfs/dbraw/zinc/52/19/68/965521968.db2.gz IVTMLVXNHDIISZ-UITAMQMPSA-N 1 2 234.299 1.652 20 0 BDADLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cocn1)CC2 ZINC001272378564 965563203 /nfs/dbraw/zinc/56/32/03/965563203.db2.gz BBMQAVCJTDBOHU-NSHDSACASA-N 1 2 249.314 1.023 20 0 BDADLO Cc1c[nH+]c(N2CC=CC2)nc1NC1CC1 ZINC001163915606 965623195 /nfs/dbraw/zinc/62/31/95/965623195.db2.gz HAAZVTUCPLFQAT-UHFFFAOYSA-N 1 2 216.288 1.736 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@@H](CO)[C@H]1C ZINC001164056799 965721953 /nfs/dbraw/zinc/72/19/53/965721953.db2.gz YIZADQZVEGOTMF-MNOVXSKESA-N 1 2 236.315 1.606 20 0 BDADLO C[C@@H]1CCN(c2cc(N)nc[nH+]2)CCC1(F)F ZINC001164115641 965738639 /nfs/dbraw/zinc/73/86/39/965738639.db2.gz UBEAUADFBDJUEU-MRVPVSSYSA-N 1 2 242.273 1.930 20 0 BDADLO COc1ccc(C)[nH+]c1N1C[C@@H](OC)[C@@H](F)C1 ZINC001164126051 965747927 /nfs/dbraw/zinc/74/79/27/965747927.db2.gz OWOYNYNGLGKEIH-GXSJLCMTSA-N 1 2 240.278 1.572 20 0 BDADLO CO[C@@H]1CN(c2cc(SC)cc[nH+]2)C[C@@H]1F ZINC001164129383 965749543 /nfs/dbraw/zinc/74/95/43/965749543.db2.gz GAOIWCFLRDWTHD-VHSXEESVSA-N 1 2 242.319 1.977 20 0 BDADLO Cc1cc2cc(NC[C@H]3CCC(=O)N3)[nH+]cc2[nH]1 ZINC001164162885 965769293 /nfs/dbraw/zinc/76/92/93/965769293.db2.gz PWDYEPJISQTNSM-SNVBAGLBSA-N 1 2 244.298 1.562 20 0 BDADLO COc1cccc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164488361 965895599 /nfs/dbraw/zinc/89/55/99/965895599.db2.gz FEEKQUCXTTVKGW-UHFFFAOYSA-N 1 2 243.257 1.135 20 0 BDADLO CCc1cc(C[NH+]2CC(CC(=O)OC)C2)on1 ZINC001203225483 965907891 /nfs/dbraw/zinc/90/78/91/965907891.db2.gz QNOVYPZZNQRYOP-UHFFFAOYSA-N 1 2 238.287 1.232 20 0 BDADLO Cc1cc[nH+]c(C)c1NCC(=O)N1CCCC1 ZINC001164583155 965927278 /nfs/dbraw/zinc/92/72/78/965927278.db2.gz LPHXUTPFKWINJC-UHFFFAOYSA-N 1 2 233.315 1.733 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@@](C)(O)C1 ZINC001165229782 965996254 /nfs/dbraw/zinc/99/62/54/965996254.db2.gz RVFHHYXBMJILER-GFCCVEGCSA-N 1 2 222.288 1.360 20 0 BDADLO C[C@]1(O)CCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001165231729 965998089 /nfs/dbraw/zinc/99/80/89/965998089.db2.gz KXSYUMXBWNBZGW-JTQLQIEISA-N 1 2 227.695 1.278 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@@H]2COC[C@@H]2C1 ZINC001165268759 966018700 /nfs/dbraw/zinc/01/87/00/966018700.db2.gz AGNYJFXSVSTHLP-NEPJUHHUSA-N 1 2 248.326 1.871 20 0 BDADLO COCC(C)(C)Nc1c[nH+]ccc1OC ZINC001166002251 966226305 /nfs/dbraw/zinc/22/63/05/966226305.db2.gz ILCLXLSBGOEHLB-UHFFFAOYSA-N 1 2 210.277 1.927 20 0 BDADLO Cc1nc(N2CCNC(=O)[C@H]2C)cc(C(C)C)[nH+]1 ZINC001166557434 966300728 /nfs/dbraw/zinc/30/07/28/966300728.db2.gz GJHOQIOBFUGXSV-SECBINFHSA-N 1 2 248.330 1.233 20 0 BDADLO CCCc1cc(N2CCNC(=O)[C@@H]2C)nc(C)[nH+]1 ZINC001166559204 966302042 /nfs/dbraw/zinc/30/20/42/966302042.db2.gz DDZHIKODMIGIRN-VIFPVBQESA-N 1 2 248.330 1.062 20 0 BDADLO CCN(CCC(N)=O)c1cc2ccccc2c[nH+]1 ZINC001166588769 966310501 /nfs/dbraw/zinc/31/05/01/966310501.db2.gz XJQBPRXNDOJHDQ-UHFFFAOYSA-N 1 2 243.310 1.937 20 0 BDADLO Cc1ccc(O)c(Nc2cc[nH]c(=O)c2)[nH+]1 ZINC001212265490 966381212 /nfs/dbraw/zinc/38/12/12/966381212.db2.gz NBOKQZVZEUEXJT-UHFFFAOYSA-N 1 2 217.228 1.940 20 0 BDADLO Cc1cc(N2C[C@@H]3C[C@H]2CO3)nc(C2CC2)[nH+]1 ZINC001166755694 966394752 /nfs/dbraw/zinc/39/47/52/966394752.db2.gz UHWVIBUETZORNO-QWRGUYRKSA-N 1 2 231.299 1.640 20 0 BDADLO Cc1nc(N2CCC(=O)C[C@@H]2C)c2c([nH+]1)CCC2 ZINC001166934900 966452864 /nfs/dbraw/zinc/45/28/64/966452864.db2.gz PEJYGONJQYTQKY-VIFPVBQESA-N 1 2 245.326 1.832 20 0 BDADLO CCN(CC)c1cc(N2CC3(CCO3)C2)nc[nH+]1 ZINC001166942103 966465237 /nfs/dbraw/zinc/46/52/37/966465237.db2.gz RBOYKMDADQVLSS-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO CCN(CC)c1cc(N2CC3(CCO3)C2)[nH+]cn1 ZINC001166942103 966465245 /nfs/dbraw/zinc/46/52/45/966465245.db2.gz RBOYKMDADQVLSS-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO COc1ccc(C)[nH+]c1N(C)CC1COC1 ZINC001166949560 966477893 /nfs/dbraw/zinc/47/78/93/966477893.db2.gz HXXMRTOKLGQQRZ-UHFFFAOYSA-N 1 2 222.288 1.481 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001203205952 966546462 /nfs/dbraw/zinc/54/64/62/966546462.db2.gz KCZXYXXTQZHMKT-MWLCHTKSSA-N 1 2 206.293 1.569 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001203205952 966546471 /nfs/dbraw/zinc/54/64/71/966546471.db2.gz KCZXYXXTQZHMKT-MWLCHTKSSA-N 1 2 206.293 1.569 20 0 BDADLO Cn1cccc1C[NH+]1CC2(C1)CCCCO2 ZINC001203257311 966583525 /nfs/dbraw/zinc/58/35/25/966583525.db2.gz IUDBXMAFGHXFQX-UHFFFAOYSA-N 1 2 220.316 1.780 20 0 BDADLO CN1C[C@H]2CCC[N@H+](Cc3ccco3)[C@@H]2C1 ZINC001203285634 966599224 /nfs/dbraw/zinc/59/92/24/966599224.db2.gz SCBLUVWZLSFDPJ-DGCLKSJQSA-N 1 2 220.316 1.806 20 0 BDADLO CN1C[C@H]2CCC[N@@H+](Cc3ccco3)[C@@H]2C1 ZINC001203285634 966599237 /nfs/dbraw/zinc/59/92/37/966599237.db2.gz SCBLUVWZLSFDPJ-DGCLKSJQSA-N 1 2 220.316 1.806 20 0 BDADLO Cc1ccc(C)c(Nc2ccc(C(N)=O)nc2)[nH+]1 ZINC001203431190 966641973 /nfs/dbraw/zinc/64/19/73/966641973.db2.gz SLKHUZLWESJXJO-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO CCn1ccc(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC001203421868 966643547 /nfs/dbraw/zinc/64/35/47/966643547.db2.gz HMRSUQWDHFGUDT-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CNc1ccc(Nc2ccnn2C)c[nH+]1 ZINC001203447979 966646610 /nfs/dbraw/zinc/64/66/10/966646610.db2.gz RXYSRDSALVIOMJ-UHFFFAOYSA-N 1 2 203.249 1.600 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001203712842 966744597 /nfs/dbraw/zinc/74/45/97/966744597.db2.gz MOUYWEMVXCADRS-AWEZNQCLSA-N 1 2 233.311 1.785 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001203712842 966744604 /nfs/dbraw/zinc/74/46/04/966744604.db2.gz MOUYWEMVXCADRS-AWEZNQCLSA-N 1 2 233.311 1.785 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001127794061 966802661 /nfs/dbraw/zinc/80/26/61/966802661.db2.gz UMDCSQTXDFFUAU-GRYCIOLGSA-N 1 2 247.342 1.782 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC001203979955 966838220 /nfs/dbraw/zinc/83/82/20/966838220.db2.gz ICAVDRKERHVLIA-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC001203979955 966838222 /nfs/dbraw/zinc/83/82/22/966838222.db2.gz ICAVDRKERHVLIA-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO C[C@@H]1C[NH+](C2CN(Cc3ccc[nH]3)C2)C[C@@H](C)O1 ZINC001204011241 966852151 /nfs/dbraw/zinc/85/21/51/966852151.db2.gz YLUQZLFBDCWQPI-VXGBXAGGSA-N 1 2 249.358 1.308 20 0 BDADLO CC(=O)[C@H]1C[N@H+](Cc2sccc2C)CCO1 ZINC001204023534 966858437 /nfs/dbraw/zinc/85/84/37/966858437.db2.gz JZCOVUQHWLJRJG-LLVKDONJSA-N 1 2 239.340 1.846 20 0 BDADLO CC(=O)[C@H]1C[N@@H+](Cc2sccc2C)CCO1 ZINC001204023534 966858441 /nfs/dbraw/zinc/85/84/41/966858441.db2.gz JZCOVUQHWLJRJG-LLVKDONJSA-N 1 2 239.340 1.846 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1F ZINC001204034642 966861683 /nfs/dbraw/zinc/86/16/83/966861683.db2.gz PFZKTCUJUHRKTE-DTWKUNHWSA-N 1 2 201.266 1.263 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1F ZINC001204034642 966861692 /nfs/dbraw/zinc/86/16/92/966861692.db2.gz PFZKTCUJUHRKTE-DTWKUNHWSA-N 1 2 201.266 1.263 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC001204046815 966869559 /nfs/dbraw/zinc/86/95/59/966869559.db2.gz WDRVLSSYGVLTLO-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC001204046815 966869566 /nfs/dbraw/zinc/86/95/66/966869566.db2.gz WDRVLSSYGVLTLO-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO c1cncc(C[N@@H+]2CCCCC23COC3)c1 ZINC001204075205 966882022 /nfs/dbraw/zinc/88/20/22/966882022.db2.gz MPXGEKXGWHPKAN-UHFFFAOYSA-N 1 2 218.300 1.837 20 0 BDADLO c1cncc(C[N@H+]2CCCCC23COC3)c1 ZINC001204075205 966882026 /nfs/dbraw/zinc/88/20/26/966882026.db2.gz MPXGEKXGWHPKAN-UHFFFAOYSA-N 1 2 218.300 1.837 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccnc1 ZINC001204073615 966883938 /nfs/dbraw/zinc/88/39/38/966883938.db2.gz TZEDXVZWGVXHQW-PBWFPOADSA-N 1 2 248.326 1.460 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccnc1 ZINC001204073615 966883942 /nfs/dbraw/zinc/88/39/42/966883942.db2.gz TZEDXVZWGVXHQW-PBWFPOADSA-N 1 2 248.326 1.460 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cccnc1 ZINC001204076299 966883982 /nfs/dbraw/zinc/88/39/82/966883982.db2.gz TXKHOWZXHOOJCZ-LBPRGKRZSA-N 1 2 236.315 1.711 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cccnc1 ZINC001204076299 966883985 /nfs/dbraw/zinc/88/39/85/966883985.db2.gz TXKHOWZXHOOJCZ-LBPRGKRZSA-N 1 2 236.315 1.711 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccncc1 ZINC001204082832 966885030 /nfs/dbraw/zinc/88/50/30/966885030.db2.gz VTCFMEUZTCHSKZ-PBWFPOADSA-N 1 2 248.326 1.460 20 0 BDADLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccncc1 ZINC001204082832 966885034 /nfs/dbraw/zinc/88/50/34/966885034.db2.gz VTCFMEUZTCHSKZ-PBWFPOADSA-N 1 2 248.326 1.460 20 0 BDADLO CCc1cn(CC(=O)OC(C)(C)C)c[nH+]1 ZINC000200579219 966994482 /nfs/dbraw/zinc/99/44/82/966994482.db2.gz CMOKVJQTRTVAII-UHFFFAOYSA-N 1 2 210.277 1.787 20 0 BDADLO NC(=O)C1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC001204437633 966995017 /nfs/dbraw/zinc/99/50/17/966995017.db2.gz YZSRBCSVFLQYKP-UHFFFAOYSA-N 1 2 242.681 1.396 20 0 BDADLO NC(=O)c1ccc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001239570662 967007374 /nfs/dbraw/zinc/00/73/74/967007374.db2.gz VCQDNVKBYPUKOK-UHFFFAOYSA-N 1 2 240.266 1.211 20 0 BDADLO Cc1cc(-n2nc(OC(C)C)cc2N)c[nH+]c1N ZINC001249782123 967061555 /nfs/dbraw/zinc/06/15/55/967061555.db2.gz PIVCBZZDSAVOMK-UHFFFAOYSA-N 1 2 247.302 1.527 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001204587578 967072796 /nfs/dbraw/zinc/07/27/96/967072796.db2.gz GBVLOAWBFVWFQZ-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001204587578 967072808 /nfs/dbraw/zinc/07/28/08/967072808.db2.gz GBVLOAWBFVWFQZ-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](C(F)(F)F)C1 ZINC001204592320 967090889 /nfs/dbraw/zinc/09/08/89/967090889.db2.gz NPZLBJWXVCENEW-SECBINFHSA-N 1 2 249.236 1.481 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCCC(=O)CC1 ZINC001204592292 967091782 /nfs/dbraw/zinc/09/17/82/967091782.db2.gz MLXVYFWPJUGOJU-UHFFFAOYSA-N 1 2 207.277 1.273 20 0 BDADLO c1ccc2[nH]c(C[NH+]3CC4(C3)CCOC4)nc2c1 ZINC001204745972 967144952 /nfs/dbraw/zinc/14/49/52/967144952.db2.gz OBHRKASOMLJLTP-UHFFFAOYSA-N 1 2 243.310 1.785 20 0 BDADLO CCOC(=O)CCc1cc[nH+]c(NC)c1 ZINC001249963716 967206450 /nfs/dbraw/zinc/20/64/50/967206450.db2.gz DEKGGYGJDZAXBR-UHFFFAOYSA-N 1 2 208.261 1.619 20 0 BDADLO COCCOCc1ccn2cc[nH+]c2c1 ZINC001250001959 967261367 /nfs/dbraw/zinc/26/13/67/967261367.db2.gz PEJPYVAOVLLASC-UHFFFAOYSA-N 1 2 206.245 1.497 20 0 BDADLO CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC001485838186 967267463 /nfs/dbraw/zinc/26/74/63/967267463.db2.gz AQWRCLPZDXKFJG-JGVFFNPUSA-N 1 2 242.348 1.056 20 0 BDADLO NC(=O)c1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219365 967428664 /nfs/dbraw/zinc/42/86/64/967428664.db2.gz IMCDWJLVDAXYPB-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO Nc1cc(CC(=O)Oc2ccccc2)cc[nH+]1 ZINC001250258359 967571377 /nfs/dbraw/zinc/57/13/77/967571377.db2.gz AXQFJHMHGMZIPG-UHFFFAOYSA-N 1 2 228.251 1.812 20 0 BDADLO Cc1cc(CC[NH+]2CCOCC2)cnc1F ZINC001250277640 967612578 /nfs/dbraw/zinc/61/25/78/967612578.db2.gz KHVMAMOGEDCKGG-UHFFFAOYSA-N 1 2 224.279 1.404 20 0 BDADLO Cc1c(CC[NH+]2CCOCC2)ccnc1F ZINC001250276415 967614347 /nfs/dbraw/zinc/61/43/47/967614347.db2.gz FXFZNUMETOYRGD-UHFFFAOYSA-N 1 2 224.279 1.404 20 0 BDADLO Cc1cc[nH+]cc1NC[C@H]1CC(=O)N(C)C1 ZINC001168724091 967637762 /nfs/dbraw/zinc/63/77/62/967637762.db2.gz FHRKFRKGEJNMGS-SNVBAGLBSA-N 1 2 219.288 1.280 20 0 BDADLO CNC(=O)c1cccc(CCn2cc[nH+]c2)c1 ZINC001250315822 967677020 /nfs/dbraw/zinc/67/70/20/967677020.db2.gz RXNQLYLSRHYWIP-UHFFFAOYSA-N 1 2 229.283 1.485 20 0 BDADLO c1cn(CCc2cnc(C3CC3)nc2)c[nH+]1 ZINC001250315494 967681864 /nfs/dbraw/zinc/68/18/64/967681864.db2.gz NQPRFCIMLRNABE-UHFFFAOYSA-N 1 2 214.272 1.793 20 0 BDADLO FC(F)(F)n1cc(CCn2cc[nH+]c2)cn1 ZINC001250318680 967693316 /nfs/dbraw/zinc/69/33/16/967693316.db2.gz KHBNFMQLPMTTOF-UHFFFAOYSA-N 1 2 230.193 1.799 20 0 BDADLO OCc1cccc(CCn2cc[nH+]c2)c1F ZINC001250318682 967694624 /nfs/dbraw/zinc/69/46/24/967694624.db2.gz KJCLKHJGSXBBFR-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO CCOc1cc(CCn2cc[nH+]c2)ccn1 ZINC001250319310 967695003 /nfs/dbraw/zinc/69/50/03/967695003.db2.gz BUARPMBCECREAK-UHFFFAOYSA-N 1 2 217.272 1.920 20 0 BDADLO CC(C)(C)OC(=O)CCc1cc[nH+]c(N)c1 ZINC001250329011 967715181 /nfs/dbraw/zinc/71/51/81/967715181.db2.gz CJLHANQVBAKUND-UHFFFAOYSA-N 1 2 222.288 1.938 20 0 BDADLO O=c1[nH]cc2[nH]cc([NH2+]C(C3CC3)C3CC3)cc1-2 ZINC001168746739 967727461 /nfs/dbraw/zinc/72/74/61/967727461.db2.gz HFEDFSFIDISEAE-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO COC(C)(C)Cc1c[nH+]c2c(c1)OCCN2C ZINC001250352710 967751704 /nfs/dbraw/zinc/75/17/04/967751704.db2.gz UHTKPKNBNBYIQG-UHFFFAOYSA-N 1 2 236.315 1.878 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1cnoc1)C2 ZINC001205677530 967761544 /nfs/dbraw/zinc/76/15/44/967761544.db2.gz LIKSHDCQWLEJJA-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1cnoc1)C2 ZINC001205677530 967761553 /nfs/dbraw/zinc/76/15/53/967761553.db2.gz LIKSHDCQWLEJJA-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO COCc1nc(Cc2ccn3cc[nH+]c3c2)no1 ZINC001250368513 967776476 /nfs/dbraw/zinc/77/64/76/967776476.db2.gz SQERQKDIDKBYNC-UHFFFAOYSA-N 1 2 244.254 1.455 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3cnoc3)C2)C1 ZINC001205724590 967803448 /nfs/dbraw/zinc/80/34/48/967803448.db2.gz ULEKSCPSBHBZAA-VIFPVBQESA-N 1 2 228.292 1.704 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001203163997 967821448 /nfs/dbraw/zinc/82/14/48/967821448.db2.gz OLPDPVQEHWVHNN-DLOVCJGASA-N 1 2 221.279 1.575 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001205828503 967840905 /nfs/dbraw/zinc/84/09/05/967840905.db2.gz YFMXAMNFVWMBBY-GFCCVEGCSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001205828503 967840906 /nfs/dbraw/zinc/84/09/06/967840906.db2.gz YFMXAMNFVWMBBY-GFCCVEGCSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1cnccc1C[N@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001205862810 967863524 /nfs/dbraw/zinc/86/35/24/967863524.db2.gz NYNBYANCYFOSJC-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001205862810 967863526 /nfs/dbraw/zinc/86/35/26/967863526.db2.gz NYNBYANCYFOSJC-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO CCC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000703842158 967877521 /nfs/dbraw/zinc/87/75/21/967877521.db2.gz UZGSTRKSCMOSBL-VIFPVBQESA-N 1 2 224.308 1.408 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)co1 ZINC001206049163 968014282 /nfs/dbraw/zinc/01/42/82/968014282.db2.gz NKPOHOKSNWYJEN-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)co1 ZINC001206049163 968014296 /nfs/dbraw/zinc/01/42/96/968014296.db2.gz NKPOHOKSNWYJEN-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2coc(C)n2)C1 ZINC001206087333 968033618 /nfs/dbraw/zinc/03/36/18/968033618.db2.gz PJTWVZUBKJKKJP-QMMMGPOBSA-N 1 2 210.277 1.450 20 0 BDADLO CC(=O)c1ccc2[nH]c(C[NH+](C)C)nc2c1 ZINC001250565878 968081958 /nfs/dbraw/zinc/08/19/58/968081958.db2.gz YCGJAJPZTHMVFK-UHFFFAOYSA-N 1 2 217.272 1.827 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)s1 ZINC001206144493 968088765 /nfs/dbraw/zinc/08/87/65/968088765.db2.gz QMZXANNBPULOIH-DTWKUNHWSA-N 1 2 230.308 1.275 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)s1 ZINC001206144493 968088778 /nfs/dbraw/zinc/08/87/78/968088778.db2.gz QMZXANNBPULOIH-DTWKUNHWSA-N 1 2 230.308 1.275 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C2CC2)cn1 ZINC001206174524 968111047 /nfs/dbraw/zinc/11/10/47/968111047.db2.gz OBUMPMZESNMOSO-BETUJISGSA-N 1 2 245.326 1.914 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C2CC2)cn1 ZINC001206174524 968111054 /nfs/dbraw/zinc/11/10/54/968111054.db2.gz OBUMPMZESNMOSO-BETUJISGSA-N 1 2 245.326 1.914 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001118304601 968114609 /nfs/dbraw/zinc/11/46/09/968114609.db2.gz NYKREDKPYUPUIQ-CYBMUJFWSA-N 1 2 248.326 1.823 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001118304601 968114620 /nfs/dbraw/zinc/11/46/20/968114620.db2.gz NYKREDKPYUPUIQ-CYBMUJFWSA-N 1 2 248.326 1.823 20 0 BDADLO COc1cccc([C@H](O)C[N@H+](C)C2COC2)c1 ZINC001250711103 968199282 /nfs/dbraw/zinc/19/92/82/968199282.db2.gz DUSRPOCVEIXMKI-CYBMUJFWSA-N 1 2 237.299 1.059 20 0 BDADLO COc1cccc([C@H](O)C[N@@H+](C)C2COC2)c1 ZINC001250711103 968199285 /nfs/dbraw/zinc/19/92/85/968199285.db2.gz DUSRPOCVEIXMKI-CYBMUJFWSA-N 1 2 237.299 1.059 20 0 BDADLO COc1cccnc1C[NH2+]Cc1ccc(F)nc1 ZINC001206301859 968209200 /nfs/dbraw/zinc/20/92/00/968209200.db2.gz XXRQWNYVAWCKED-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO C[C@@H](C(=O)N1CCC2(CCO2)CC1)n1cc[nH+]c1 ZINC001118703645 968215915 /nfs/dbraw/zinc/21/59/15/968215915.db2.gz UCNLYWRQKQGXLS-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C2CC2)CCOCC1 ZINC001118755105 968223785 /nfs/dbraw/zinc/22/37/85/968223785.db2.gz QNQWPAXOQBQYEC-UHFFFAOYSA-N 1 2 249.314 1.028 20 0 BDADLO O[C@H](C[NH+]1CC(c2cccnc2)C1)C(F)(F)F ZINC001250977204 968232146 /nfs/dbraw/zinc/23/21/46/968232146.db2.gz WORBYKDYPQOJJM-SNVBAGLBSA-N 1 2 246.232 1.404 20 0 BDADLO C[C@@H](C(=O)NCC(C)(C)F)n1cc[nH+]c1 ZINC001118980608 968259891 /nfs/dbraw/zinc/25/98/91/968259891.db2.gz NUWBRQDXOVBWLB-QMMMGPOBSA-N 1 2 213.256 1.308 20 0 BDADLO CC/C=C/CNC(=O)NCc1ccc[nH+]c1N ZINC001251361929 968283761 /nfs/dbraw/zinc/28/37/61/968283761.db2.gz RWJUUEYKVOVPDQ-ONEGZZNKSA-N 1 2 234.303 1.429 20 0 BDADLO [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(S)cc2)C1 ZINC001206446335 968310862 /nfs/dbraw/zinc/31/08/62/968310862.db2.gz UEQOINYWUJTDNF-MNOVXSKESA-N 1 2 240.347 1.846 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC(C)(C)CF)c1 ZINC001251744572 968312640 /nfs/dbraw/zinc/31/26/40/968312640.db2.gz RXJXEKCOOSYOSV-UHFFFAOYSA-N 1 2 242.298 1.010 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001251774171 968319828 /nfs/dbraw/zinc/31/98/28/968319828.db2.gz STMAFROAWVWYFE-SECBINFHSA-N 1 2 241.722 1.259 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001251774171 968319838 /nfs/dbraw/zinc/31/98/38/968319838.db2.gz STMAFROAWVWYFE-SECBINFHSA-N 1 2 241.722 1.259 20 0 BDADLO Cc1cnc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001119409961 968377238 /nfs/dbraw/zinc/37/72/38/968377238.db2.gz SMRARHORGYOFOK-ZJUUUORDSA-N 1 2 225.292 1.114 20 0 BDADLO Cc1cnc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001119409961 968377241 /nfs/dbraw/zinc/37/72/41/968377241.db2.gz SMRARHORGYOFOK-ZJUUUORDSA-N 1 2 225.292 1.114 20 0 BDADLO Cc1c[nH+]c(N(C)C2(C)COC2)nc1NC1CC1 ZINC001166984529 968415532 /nfs/dbraw/zinc/41/55/32/968415532.db2.gz SSRXNVWRQZZRRK-UHFFFAOYSA-N 1 2 248.330 1.584 20 0 BDADLO Cc1nc(CNC(=O)[C@@H](C)n2cc[nH+]c2)[nH]c1C ZINC001119592364 968421942 /nfs/dbraw/zinc/42/19/42/968421942.db2.gz DIXXZORNCWXMIJ-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO CCN(CCn1cccn1)Cc1c[nH+]c(C)n1C ZINC001206794614 968479003 /nfs/dbraw/zinc/47/90/03/968479003.db2.gz CPDHJLGBIPGEDG-UHFFFAOYSA-N 1 2 247.346 1.447 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cs1 ZINC001206800195 968481832 /nfs/dbraw/zinc/48/18/32/968481832.db2.gz YFISMKUKRISBIL-VHSXEESVSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](F)[C@H](O)C2)cs1 ZINC001206800195 968481839 /nfs/dbraw/zinc/48/18/39/968481839.db2.gz YFISMKUKRISBIL-VHSXEESVSA-N 1 2 230.308 1.356 20 0 BDADLO O=c1[nH]cccc1C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001207001617 968535162 /nfs/dbraw/zinc/53/51/62/968535162.db2.gz HJJRTMPMEKIEDK-UWVGGRQHSA-N 1 2 228.242 1.669 20 0 BDADLO O=c1[nH]cccc1C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001207001617 968535170 /nfs/dbraw/zinc/53/51/70/968535170.db2.gz HJJRTMPMEKIEDK-UWVGGRQHSA-N 1 2 228.242 1.669 20 0 BDADLO CCCC[C@H](O)C[N@@H+]1CCn2nccc2C1 ZINC001252096042 968576716 /nfs/dbraw/zinc/57/67/16/968576716.db2.gz HRNFKCBRFKGPFV-LBPRGKRZSA-N 1 2 223.320 1.250 20 0 BDADLO CCCC[C@H](O)C[N@H+]1CCn2nccc2C1 ZINC001252096042 968576724 /nfs/dbraw/zinc/57/67/24/968576724.db2.gz HRNFKCBRFKGPFV-LBPRGKRZSA-N 1 2 223.320 1.250 20 0 BDADLO COC[C@H]1CCCN1Cc1[nH+]cc2ccccn21 ZINC001207049667 968578110 /nfs/dbraw/zinc/57/81/10/968578110.db2.gz ZREPJWODCYXTIH-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO O=c1cccc(C[N@H+]2CCC[C@@H](F)C2)[nH]1 ZINC001207069148 968600320 /nfs/dbraw/zinc/60/03/20/968600320.db2.gz KOBYZEOPMZFKCV-SECBINFHSA-N 1 2 210.252 1.721 20 0 BDADLO O=c1cccc(C[N@@H+]2CCC[C@@H](F)C2)[nH]1 ZINC001207069148 968600325 /nfs/dbraw/zinc/60/03/25/968600325.db2.gz KOBYZEOPMZFKCV-SECBINFHSA-N 1 2 210.252 1.721 20 0 BDADLO O=c1cccc(C[N@@H+]2CCc3occc3C2)[nH]1 ZINC001207073999 968604848 /nfs/dbraw/zinc/60/48/48/968604848.db2.gz QZBDBZOHUCFBQQ-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO O=c1cccc(C[N@H+]2CCc3occc3C2)[nH]1 ZINC001207073999 968604857 /nfs/dbraw/zinc/60/48/57/968604857.db2.gz QZBDBZOHUCFBQQ-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(=O)[nH]2)[C@@H](C)CO1 ZINC001207074429 968610121 /nfs/dbraw/zinc/61/01/21/968610121.db2.gz KXLHQTQGUCQAAP-VHSXEESVSA-N 1 2 222.288 1.396 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)[C@@H](C)CO1 ZINC001207074429 968610125 /nfs/dbraw/zinc/61/01/25/968610125.db2.gz KXLHQTQGUCQAAP-VHSXEESVSA-N 1 2 222.288 1.396 20 0 BDADLO CCc1nccc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC001207084910 968619248 /nfs/dbraw/zinc/61/92/48/968619248.db2.gz UZGHKHIRQRBVDV-VIFPVBQESA-N 1 2 209.268 1.583 20 0 BDADLO CCc1nccc(C[N@H+]2CC[C@H](F)C2)n1 ZINC001207084910 968619251 /nfs/dbraw/zinc/61/92/51/968619251.db2.gz UZGHKHIRQRBVDV-VIFPVBQESA-N 1 2 209.268 1.583 20 0 BDADLO CCc1nccc(C[NH+]2CC(CC(=O)OC)C2)n1 ZINC001207088314 968621988 /nfs/dbraw/zinc/62/19/88/968621988.db2.gz MQCHYWBPXDFVNN-UHFFFAOYSA-N 1 2 249.314 1.034 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCCC12COC2 ZINC001207137514 968646830 /nfs/dbraw/zinc/64/68/30/968646830.db2.gz HWPUXXCEEZGAOS-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCCC12COC2 ZINC001207137514 968646833 /nfs/dbraw/zinc/64/68/33/968646833.db2.gz HWPUXXCEEZGAOS-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(C)n1 ZINC001207168502 968673213 /nfs/dbraw/zinc/67/32/13/968673213.db2.gz JOUMYWJAYOESKU-CYBMUJFWSA-N 1 2 233.315 1.729 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC001207168502 968673218 /nfs/dbraw/zinc/67/32/18/968673218.db2.gz JOUMYWJAYOESKU-CYBMUJFWSA-N 1 2 233.315 1.729 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC001207170034 968680930 /nfs/dbraw/zinc/68/09/30/968680930.db2.gz QBHHMMTVQMDXQF-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC001207170034 968680933 /nfs/dbraw/zinc/68/09/33/968680933.db2.gz QBHHMMTVQMDXQF-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO C/C(=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000827791947 968703029 /nfs/dbraw/zinc/70/30/29/968703029.db2.gz KERAGXXCEDETRI-VURMDHGXSA-N 1 2 233.315 1.999 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1NCc1ncon1 ZINC001154896022 968730948 /nfs/dbraw/zinc/73/09/48/968730948.db2.gz NBRKAYPFJHEWIY-UHFFFAOYSA-N 1 2 247.258 1.344 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001207462074 968784849 /nfs/dbraw/zinc/78/48/49/968784849.db2.gz YQHGQFFLFPKRKT-GXTWGEPZSA-N 1 2 233.311 1.711 20 0 BDADLO COc1ccccc1CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001207462074 968784858 /nfs/dbraw/zinc/78/48/58/968784858.db2.gz YQHGQFFLFPKRKT-GXTWGEPZSA-N 1 2 233.311 1.711 20 0 BDADLO CC(C)[C@H](F)C(=O)N1CCn2c[nH+]cc2C1 ZINC001324013445 968875514 /nfs/dbraw/zinc/87/55/14/968875514.db2.gz ABPAHZXNHYDDSH-JTQLQIEISA-N 1 2 225.267 1.219 20 0 BDADLO Cc1cc(NC2(C(N)=O)CC2)[nH+]c2ccccc12 ZINC001155090231 968885994 /nfs/dbraw/zinc/88/59/94/968885994.db2.gz OKCOKPNTYZZPJT-UHFFFAOYSA-N 1 2 241.294 1.973 20 0 BDADLO O[C@H](CNc1cc[nH+]nc1)COCc1ccco1 ZINC001252631793 968890342 /nfs/dbraw/zinc/89/03/42/968890342.db2.gz YOICEOLQMVMSLL-LLVKDONJSA-N 1 2 249.270 1.059 20 0 BDADLO CCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108229650 968903902 /nfs/dbraw/zinc/90/39/02/968903902.db2.gz KVKBOYSOERSINQ-QMMMGPOBSA-N 1 2 222.292 1.112 20 0 BDADLO CCc1noc(C)c1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001273395324 968936788 /nfs/dbraw/zinc/93/67/88/968936788.db2.gz IKRZNAPQSPLFEN-UHFFFAOYSA-N 1 2 249.314 1.076 20 0 BDADLO CCc1noc(C)c1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001273395324 968936796 /nfs/dbraw/zinc/93/67/96/968936796.db2.gz IKRZNAPQSPLFEN-UHFFFAOYSA-N 1 2 249.314 1.076 20 0 BDADLO Cc1nc2[nH]cnc2cc1-c1cc[nH+]c(N)c1 ZINC001241171223 968943615 /nfs/dbraw/zinc/94/36/15/968943615.db2.gz ZHQYPEKCPBZLOU-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Nc1cc(-c2cccc3c2CNC(=O)N3)cc[nH+]1 ZINC001241170888 968943635 /nfs/dbraw/zinc/94/36/35/968943635.db2.gz WOKMXMMEISYLBU-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO Nc1cc(-c2ccccc2-c2nn[nH]n2)cc[nH+]1 ZINC001241163847 968945068 /nfs/dbraw/zinc/94/50/68/968945068.db2.gz QNQXQYGUDRVBHV-UHFFFAOYSA-N 1 2 238.254 1.511 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001252801726 968985117 /nfs/dbraw/zinc/98/51/17/968985117.db2.gz APGGRQHNHIXDSF-QJPTWQEYSA-N 1 2 245.363 1.715 20 0 BDADLO CCOc1ncc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001241552380 969032218 /nfs/dbraw/zinc/03/22/18/969032218.db2.gz DOOLQVPLXLYURV-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO Fc1cccc(CC[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001208198792 969128493 /nfs/dbraw/zinc/12/84/93/969128493.db2.gz LREKCWIBTQSBMA-BETUJISGSA-N 1 2 221.275 1.841 20 0 BDADLO Fc1cccc(CC[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001208198792 969128500 /nfs/dbraw/zinc/12/85/00/969128500.db2.gz LREKCWIBTQSBMA-BETUJISGSA-N 1 2 221.275 1.841 20 0 BDADLO CCS(=O)(=O)Nc1cccc2[nH+]cn(C)c21 ZINC001253361336 969141584 /nfs/dbraw/zinc/14/15/84/969141584.db2.gz POVMJIBXGIMSIC-UHFFFAOYSA-N 1 2 239.300 1.335 20 0 BDADLO O[C@@H]1CCOc2ccc(-c3[nH]cc[nH+]3)cc21 ZINC001242018865 969172461 /nfs/dbraw/zinc/17/24/61/969172461.db2.gz ZIMKRRVFOAMXAK-SNVBAGLBSA-N 1 2 216.240 1.893 20 0 BDADLO CC1(O)C[NH+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001208635757 969175129 /nfs/dbraw/zinc/17/51/29/969175129.db2.gz DFOLPCNCGSJHMB-NSHDSACASA-N 1 2 241.331 1.129 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1CCCCC(F)(F)C1 ZINC001208710956 969201775 /nfs/dbraw/zinc/20/17/75/969201775.db2.gz MPUMFZIPKAZAOJ-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1CCCCC(F)(F)C1 ZINC001208710956 969201777 /nfs/dbraw/zinc/20/17/77/969201777.db2.gz MPUMFZIPKAZAOJ-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108330340 969213149 /nfs/dbraw/zinc/21/31/49/969213149.db2.gz SHYVAXBAKUGDHF-CYNRKNSPSA-N 1 2 248.330 1.668 20 0 BDADLO C[NH+]1CCC(=Nc2ncc(F)cc2O)CC1 ZINC001208793499 969238009 /nfs/dbraw/zinc/23/80/09/969238009.db2.gz HITFDRRTGASIPJ-UHFFFAOYSA-N 1 2 223.251 1.558 20 0 BDADLO COCC1([N@H+](C)Cc2csnc2OC)CC1 ZINC001168847656 969243159 /nfs/dbraw/zinc/24/31/59/969243159.db2.gz FPOHHCQMGRGPCZ-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO COCC1([N@@H+](C)Cc2csnc2OC)CC1 ZINC001168847656 969243170 /nfs/dbraw/zinc/24/31/70/969243170.db2.gz FPOHHCQMGRGPCZ-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO CC(=O)N1CCC[C@H](C[NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001208953359 969311250 /nfs/dbraw/zinc/31/12/50/969311250.db2.gz DFZGXSUYMDBERK-IJLUTSLNSA-N 1 2 246.301 1.237 20 0 BDADLO Cc1nc(NCC2OCCO2)c2c([nH+]1)CCCC2 ZINC001169062366 969376030 /nfs/dbraw/zinc/37/60/30/969376030.db2.gz HHEDYYYNHPIBHV-UHFFFAOYSA-N 1 2 249.314 1.449 20 0 BDADLO Cc1cc[nH+]c(C)c1NCC1OCCO1 ZINC001169066404 969378756 /nfs/dbraw/zinc/37/87/56/969378756.db2.gz FWANDNXRNSSBAY-UHFFFAOYSA-N 1 2 208.261 1.483 20 0 BDADLO COCC[NH+]1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001209208288 969398107 /nfs/dbraw/zinc/39/81/07/969398107.db2.gz RTXHCZYXLSBNKV-UHFFFAOYSA-N 1 2 244.335 1.184 20 0 BDADLO Cn1c[nH+]c2ccc(N[C@H]3COC(=O)C3)cc21 ZINC001169122020 969416398 /nfs/dbraw/zinc/41/63/98/969416398.db2.gz WLANBZKMQCDVDO-SECBINFHSA-N 1 2 231.255 1.301 20 0 BDADLO CCC1(CO)CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001254019632 969449481 /nfs/dbraw/zinc/44/94/81/969449481.db2.gz VVZVCTWFJKIILN-UHFFFAOYSA-N 1 2 237.347 1.703 20 0 BDADLO COCc1cc[nH+]c(NCC2(CO)CCC2)c1 ZINC001156271395 969493528 /nfs/dbraw/zinc/49/35/28/969493528.db2.gz AIEBWWIXMQTUFY-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO Cc1cccc2c(C[N@@H+]3CCNC(=O)C3)c[nH]c21 ZINC001209481575 969523218 /nfs/dbraw/zinc/52/32/18/969523218.db2.gz CAUJIAAITATHSC-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO Cc1cccc2c(C[N@H+]3CCNC(=O)C3)c[nH]c21 ZINC001209481575 969523224 /nfs/dbraw/zinc/52/32/24/969523224.db2.gz CAUJIAAITATHSC-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)[nH]1 ZINC001209565929 969547280 /nfs/dbraw/zinc/54/72/80/969547280.db2.gz DZMHSGHPHPNYRX-VIFPVBQESA-N 1 2 206.289 1.734 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)[nH]1 ZINC001209565929 969547283 /nfs/dbraw/zinc/54/72/83/969547283.db2.gz DZMHSGHPHPNYRX-VIFPVBQESA-N 1 2 206.289 1.734 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCCOC1)C(C)(C)C ZINC001254362266 969574856 /nfs/dbraw/zinc/57/48/56/969574856.db2.gz HTGIJZYTYKODRJ-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCCOC2)CCCCC1 ZINC001254362205 969575215 /nfs/dbraw/zinc/57/52/15/969575215.db2.gz GRWRMDHEOHHJSX-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCCOC1)[C@@H](C)CC ZINC001254365723 969577862 /nfs/dbraw/zinc/57/78/62/969577862.db2.gz KJBRVDHVAJGKJZ-SRVKXCTJSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H](c1nc(-c2ccn(C)c2)no1)n1cc[nH+]c1 ZINC000350351770 969611497 /nfs/dbraw/zinc/61/14/97/969611497.db2.gz NWPDNXPWNKKTFW-VIFPVBQESA-N 1 2 243.270 1.881 20 0 BDADLO Nc1cnc(Nc2ccc3[nH]c[nH+]c3c2)cn1 ZINC001209843375 969655385 /nfs/dbraw/zinc/65/53/85/969655385.db2.gz ATARRXBSSALJTH-UHFFFAOYSA-N 1 2 226.243 1.679 20 0 BDADLO CNc1ccc(NCc2ccc(OC)nn2)c[nH+]1 ZINC001169469459 969668606 /nfs/dbraw/zinc/66/86/06/969668606.db2.gz QAOVFFJSLWJNOW-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cccc2c1COC2 ZINC001169656419 969802316 /nfs/dbraw/zinc/80/23/16/969802316.db2.gz LTIFMFIXPQHWGM-LBPRGKRZSA-N 1 2 248.326 1.459 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cccc2c1COC2 ZINC001169656419 969802319 /nfs/dbraw/zinc/80/23/19/969802319.db2.gz LTIFMFIXPQHWGM-LBPRGKRZSA-N 1 2 248.326 1.459 20 0 BDADLO COC(=O)C1([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254922171 969822016 /nfs/dbraw/zinc/82/20/16/969822016.db2.gz MHZLSUMSJCZNNC-MYJAWHEDSA-N 1 2 237.299 1.039 20 0 BDADLO C1=C[C@@H]2C[C@H]1C[C@H]2OCC[NH+]1CCOCC1 ZINC001210209275 969833422 /nfs/dbraw/zinc/83/34/22/969833422.db2.gz ZNFVRJYPJLRAJE-YNEHKIRRSA-N 1 2 223.316 1.300 20 0 BDADLO CO[C@@H](C)CNc1ccc2c([nH+]1)CCOC2 ZINC001169772659 969846498 /nfs/dbraw/zinc/84/64/98/969846498.db2.gz ILBJTVUBLVIHLC-VIFPVBQESA-N 1 2 222.288 1.601 20 0 BDADLO CCc1nnc([C@H]2CCCc3[nH]c[nH+]c32)o1 ZINC001255079614 969872652 /nfs/dbraw/zinc/87/26/52/969872652.db2.gz QEAWGRZXHGOLTF-ZETCQYMHSA-N 1 2 218.260 1.823 20 0 BDADLO FC1C[NH+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169936888 969886193 /nfs/dbraw/zinc/88/61/93/969886193.db2.gz MIZSJKCJQOKZMD-JTQLQIEISA-N 1 2 215.268 1.326 20 0 BDADLO Nc1cc(CNc2ncnc3c2CCC3)cc[nH+]1 ZINC001156755735 969994691 /nfs/dbraw/zinc/99/46/91/969994691.db2.gz KIHMPKMSKWAFRO-UHFFFAOYSA-N 1 2 241.298 1.555 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCSC1)C(C)C ZINC001255269877 970019919 /nfs/dbraw/zinc/01/99/19/970019919.db2.gz QFESHQUMUOVMNV-ZJUUUORDSA-N 1 2 231.361 1.669 20 0 BDADLO FC1(F)COC2(C[NH+]([C@@H]3CCSC3)C2)C1 ZINC001255291067 970054095 /nfs/dbraw/zinc/05/40/95/970054095.db2.gz PQHBFALBMDCKGA-MRVPVSSYSA-N 1 2 235.299 1.602 20 0 BDADLO c1nc2c(s1)C[N@@H+]([C@@H]1CCSC1)C2 ZINC001255294989 970056682 /nfs/dbraw/zinc/05/66/82/970056682.db2.gz QMLHIYIEZDRBCR-SSDOTTSWSA-N 1 2 212.343 1.964 20 0 BDADLO c1nc2c(s1)C[N@H+]([C@@H]1CCSC1)C2 ZINC001255294989 970056691 /nfs/dbraw/zinc/05/66/91/970056691.db2.gz QMLHIYIEZDRBCR-SSDOTTSWSA-N 1 2 212.343 1.964 20 0 BDADLO C[N@@H+]1CC[C@@H](NC(C)(C)c2ccccn2)C1 ZINC001255424521 970150414 /nfs/dbraw/zinc/15/04/14/970150414.db2.gz XMFQQCAUVFKKKZ-LLVKDONJSA-N 1 2 219.332 1.610 20 0 BDADLO C[N@H+]1CC[C@@H](NC(C)(C)c2ccccn2)C1 ZINC001255424521 970150418 /nfs/dbraw/zinc/15/04/18/970150418.db2.gz XMFQQCAUVFKKKZ-LLVKDONJSA-N 1 2 219.332 1.610 20 0 BDADLO CCC(CO)(CO)Nc1cc2ccccc2c[nH+]1 ZINC001157198280 970153864 /nfs/dbraw/zinc/15/38/64/970153864.db2.gz OLKJEWYRTOREGJ-UHFFFAOYSA-N 1 2 246.310 1.780 20 0 BDADLO O=C1O[C@H]2C[C@@H]1N(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001157289347 970187995 /nfs/dbraw/zinc/18/79/95/970187995.db2.gz YILXDWMVGVEICD-WPRPVWTQSA-N 1 2 229.239 1.067 20 0 BDADLO C1C[C@H](c2nnc([C@H]3CC4CC[NH+]3CC4)o2)CO1 ZINC001255496635 970263034 /nfs/dbraw/zinc/26/30/34/970263034.db2.gz VABLBQATQGNECY-WDEREUQCSA-N 1 2 249.314 1.730 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)[C@@H](C)O ZINC001170100816 970288082 /nfs/dbraw/zinc/28/80/82/970288082.db2.gz LMELXJNDLCMSPR-GWOFURMSSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+][C@@H](CO)C(=O)OC(C)(C)C)C1 ZINC001170109097 970311937 /nfs/dbraw/zinc/31/19/37/970311937.db2.gz JDVVTAOEXVZNGF-AXFHLTTASA-N 1 2 243.347 1.467 20 0 BDADLO Cc1cc(C)c(-n2cnc(N)c3ncnc2-3)c[nH+]1 ZINC001213505625 970334001 /nfs/dbraw/zinc/33/40/01/970334001.db2.gz KVCPBINZJNVVKV-UHFFFAOYSA-N 1 2 240.270 1.361 20 0 BDADLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H](C)COC ZINC001255560547 970345923 /nfs/dbraw/zinc/34/59/23/970345923.db2.gz GYKGBIZWOUSMMZ-ZYHUDNBSSA-N 1 2 243.347 1.733 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001255578142 970375506 /nfs/dbraw/zinc/37/55/06/970375506.db2.gz DZWFIUYDALKDPY-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H](C)[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001255578142 970375515 /nfs/dbraw/zinc/37/55/15/970375515.db2.gz DZWFIUYDALKDPY-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO COc1c[nH+]c(NC2CSC2)c(C)c1 ZINC001157576553 970454351 /nfs/dbraw/zinc/45/43/51/970454351.db2.gz JPDJZARYNFZWID-UHFFFAOYSA-N 1 2 210.302 1.926 20 0 BDADLO Cc1cncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157583106 970471850 /nfs/dbraw/zinc/47/18/50/970471850.db2.gz MPAUWIUCHQZIFU-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cncc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157583106 970471854 /nfs/dbraw/zinc/47/18/54/970471854.db2.gz MPAUWIUCHQZIFU-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO COC(C[N@@H+](C)Cc1cncs1)OC ZINC000400100426 970548027 /nfs/dbraw/zinc/54/80/27/970548027.db2.gz MGRFKBXXOHWKOC-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO COC(C[N@H+](C)Cc1cncs1)OC ZINC000400100426 970548014 /nfs/dbraw/zinc/54/80/14/970548014.db2.gz MGRFKBXXOHWKOC-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)C1CCCC1)CC2 ZINC001170257421 970642256 /nfs/dbraw/zinc/64/22/56/970642256.db2.gz ANQGHMDDOFRFEM-UHFFFAOYSA-N 1 2 245.326 1.739 20 0 BDADLO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3[nH]ncc32)CO1 ZINC000401700367 970722670 /nfs/dbraw/zinc/72/26/70/970722670.db2.gz ZBKIAAMFMNZEDL-MWLCHTKSSA-N 1 2 235.331 1.944 20 0 BDADLO C[C@H](C(=O)NCc1ncccc1F)n1cc[nH+]c1 ZINC001256346953 970744687 /nfs/dbraw/zinc/74/46/87/970744687.db2.gz OETLJOZBCPAKON-SECBINFHSA-N 1 2 248.261 1.295 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001144117924 972588174 /nfs/dbraw/zinc/58/81/74/972588174.db2.gz MCOPZWMWABMWRI-NSHDSACASA-N 1 2 248.326 1.363 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001144117924 972588186 /nfs/dbraw/zinc/58/81/86/972588186.db2.gz MCOPZWMWABMWRI-NSHDSACASA-N 1 2 248.326 1.363 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)OCc1c[nH+]cn1C ZINC001222588361 972589718 /nfs/dbraw/zinc/58/97/18/972589718.db2.gz XXVCCVCTJCGUIY-SNVBAGLBSA-N 1 2 234.303 1.740 20 0 BDADLO CCCOC(=O)[C@@H](C)OCc1c[nH+]cn1C ZINC001222595297 972599535 /nfs/dbraw/zinc/59/95/35/972599535.db2.gz WBXVPPDNUBJLJP-SECBINFHSA-N 1 2 226.276 1.278 20 0 BDADLO c1nnc(C[N@H+](C2CC2)C2CCCC2)[nH]1 ZINC001327546478 972624363 /nfs/dbraw/zinc/62/43/63/972624363.db2.gz LAVMVKMKMIOUTC-UHFFFAOYSA-N 1 2 206.293 1.712 20 0 BDADLO c1nnc(C[N@@H+](C2CC2)C2CCCC2)[nH]1 ZINC001327546478 972624367 /nfs/dbraw/zinc/62/43/67/972624367.db2.gz LAVMVKMKMIOUTC-UHFFFAOYSA-N 1 2 206.293 1.712 20 0 BDADLO C=C/C=C/CC(=O)NCCCCn1cc[nH+]c1 ZINC001144214167 972680706 /nfs/dbraw/zinc/68/07/06/972680706.db2.gz SMLZCOIYZYKSET-ONEGZZNKSA-N 1 2 233.315 1.912 20 0 BDADLO c1cc(C[N@@H+]2CC[C@]23CCOC3)n(CC2CC2)n1 ZINC001327823602 972744820 /nfs/dbraw/zinc/74/48/20/972744820.db2.gz HXLIGQQLFFPSNL-CQSZACIVSA-N 1 2 247.342 1.658 20 0 BDADLO c1cc(C[N@H+]2CC[C@]23CCOC3)n(CC2CC2)n1 ZINC001327823602 972744832 /nfs/dbraw/zinc/74/48/32/972744832.db2.gz HXLIGQQLFFPSNL-CQSZACIVSA-N 1 2 247.342 1.658 20 0 BDADLO c1[nH+]c2n(c1CN1CC[C@]13CCOC3)CCC2 ZINC001327824517 972746653 /nfs/dbraw/zinc/74/66/53/972746653.db2.gz RBKHKPPSVFYWJY-CYBMUJFWSA-N 1 2 233.315 1.194 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2C[C@]23CCOC3)o1 ZINC001327867277 972769866 /nfs/dbraw/zinc/76/98/66/972769866.db2.gz WQWXNQFQJVTPHB-KCJUWKMLSA-N 1 2 223.276 1.025 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)nc1 ZINC001144428247 972814792 /nfs/dbraw/zinc/81/47/92/972814792.db2.gz YQKMSKMGYLIGBD-XDTLVQLUSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)nc1 ZINC001144428247 972814795 /nfs/dbraw/zinc/81/47/95/972814795.db2.gz YQKMSKMGYLIGBD-XDTLVQLUSA-N 1 2 236.290 1.880 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OCc1ccco1 ZINC001223054227 972823386 /nfs/dbraw/zinc/82/33/86/972823386.db2.gz KVSXXJDJPCIGLM-LLVKDONJSA-N 1 2 225.288 1.517 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]cn3ccccc23)CC[C@H]1O ZINC001144614835 972890452 /nfs/dbraw/zinc/89/04/52/972890452.db2.gz AANMTVZGIZUIDQ-BXUZGUMPSA-N 1 2 245.326 1.537 20 0 BDADLO C[C@@H](C(=O)NCCC1CSC1)n1cc[nH+]c1 ZINC001328418185 973045059 /nfs/dbraw/zinc/04/50/59/973045059.db2.gz WHCZJURQZFAERW-VIFPVBQESA-N 1 2 239.344 1.313 20 0 BDADLO Cc1cc(COC[C@@H]2COC(=O)O2)cc(C)[nH+]1 ZINC001223419370 973048351 /nfs/dbraw/zinc/04/83/51/973048351.db2.gz CWVLMTWGSRCJNJ-LLVKDONJSA-N 1 2 237.255 1.750 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OCc1cscn1 ZINC001223563448 973175737 /nfs/dbraw/zinc/17/57/37/973175737.db2.gz WZYWMPVUALIXJH-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CC[C@@H](C)O1)n1cc[nH+]c1 ZINC001328615127 973198317 /nfs/dbraw/zinc/19/83/17/973198317.db2.gz DAMUFINXNSAMMG-MXWKQRLJSA-N 1 2 237.303 1.128 20 0 BDADLO CCN(C(=O)C1CC=CC1)C1C[NH+](C)C1 ZINC001146695215 973216665 /nfs/dbraw/zinc/21/66/65/973216665.db2.gz KBIDONFUQVNVKI-UHFFFAOYSA-N 1 2 208.305 1.115 20 0 BDADLO O=C(Cc1cncs1)N[C@H]1CCn2c[nH+]cc21 ZINC001328726448 973313945 /nfs/dbraw/zinc/31/39/45/973313945.db2.gz RSMBXVOIKREOGV-VIFPVBQESA-N 1 2 248.311 1.143 20 0 BDADLO CC(C)n1cnc(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001328813471 973357224 /nfs/dbraw/zinc/35/72/24/973357224.db2.gz IGNXXHQUAHDDEO-VIFPVBQESA-N 1 2 248.290 1.255 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001328993062 973418456 /nfs/dbraw/zinc/41/84/56/973418456.db2.gz QUMAHLGDCGYGAH-OTDNITJGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001328993062 973418470 /nfs/dbraw/zinc/41/84/70/973418470.db2.gz QUMAHLGDCGYGAH-OTDNITJGSA-N 1 2 220.320 1.983 20 0 BDADLO CCN(C(=O)c1ccco1)C1C[NH+](C)C1 ZINC001147095740 973430684 /nfs/dbraw/zinc/43/06/84/973430684.db2.gz DTSOJPWAZHNCTF-UHFFFAOYSA-N 1 2 208.261 1.056 20 0 BDADLO C[N@@H+]1CCC12CN(c1cc(F)ccc1F)C2 ZINC001276949935 973459380 /nfs/dbraw/zinc/45/93/80/973459380.db2.gz UQBAJKYOCWZGKY-UHFFFAOYSA-N 1 2 224.254 1.859 20 0 BDADLO C[N@H+]1CCC12CN(c1cc(F)ccc1F)C2 ZINC001276949935 973459394 /nfs/dbraw/zinc/45/93/94/973459394.db2.gz UQBAJKYOCWZGKY-UHFFFAOYSA-N 1 2 224.254 1.859 20 0 BDADLO CC[NH+]1CC(OCC(=O)Nc2ccccc2)C1 ZINC001224462836 973663605 /nfs/dbraw/zinc/66/36/05/973663605.db2.gz FBZAPOZUGDPQJZ-UHFFFAOYSA-N 1 2 234.299 1.346 20 0 BDADLO Cc1n[nH]nc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001147564211 973684602 /nfs/dbraw/zinc/68/46/02/973684602.db2.gz FHBFORAGBUKFJA-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)[nH]1 ZINC001148760540 973890708 /nfs/dbraw/zinc/89/07/08/973890708.db2.gz AZDPANHDCBILBB-UHFFFAOYSA-N 1 2 238.678 1.630 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171397307 974006583 /nfs/dbraw/zinc/00/65/83/974006583.db2.gz PSEDKNRYBQMBDP-MFKMUULPSA-N 1 2 249.285 1.588 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC001329893871 974009417 /nfs/dbraw/zinc/00/94/17/974009417.db2.gz YRFZWSDYFSECNW-LLVKDONJSA-N 1 2 220.320 1.817 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC001329893871 974009432 /nfs/dbraw/zinc/00/94/32/974009432.db2.gz YRFZWSDYFSECNW-LLVKDONJSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H](C(=O)N1OC2CCC1CC2)n1cc[nH+]c1 ZINC001329893322 974010132 /nfs/dbraw/zinc/01/01/32/974010132.db2.gz ZPZVDAIIRRRUIU-WHXUTIOJSA-N 1 2 235.287 1.529 20 0 BDADLO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ncn[nH]1 ZINC001329892090 974011900 /nfs/dbraw/zinc/01/19/00/974011900.db2.gz MUZFUVCWBCYBHM-MWLCHTKSSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@H](C[C@H](C)O)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329892294 974012144 /nfs/dbraw/zinc/01/21/44/974012144.db2.gz QQTLFTCSKWDDNQ-HBNTYKKESA-N 1 2 239.319 1.110 20 0 BDADLO Cc1nc(NCCNC(=O)/C=C/C2CC2)cc[nH+]1 ZINC001093570095 974029313 /nfs/dbraw/zinc/02/93/13/974029313.db2.gz MVFRCRCEUOYUJL-SNAWJCMRSA-N 1 2 246.314 1.279 20 0 BDADLO O=C1CCCC[C@@H]1OCCC[NH+]1CCOCC1 ZINC001224865751 974034446 /nfs/dbraw/zinc/03/44/46/974034446.db2.gz BGXPNQZIJGBHGW-ZDUSSCGKSA-N 1 2 241.331 1.237 20 0 BDADLO Cc1nc(NCCCNC(=O)[C@H]2C[C@@H]2C)cc[nH+]1 ZINC001094289989 974068251 /nfs/dbraw/zinc/06/82/51/974068251.db2.gz FPGVPBBMIKGGGS-ONGXEEELSA-N 1 2 248.330 1.359 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795458 974187324 /nfs/dbraw/zinc/18/73/24/974187324.db2.gz WTKQPGPOOWQJEL-GXSJLCMTSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2Cc3cccc(F)c3C2)CC(=O)N1 ZINC001171795458 974187336 /nfs/dbraw/zinc/18/73/36/974187336.db2.gz WTKQPGPOOWQJEL-GXSJLCMTSA-N 1 2 248.301 1.113 20 0 BDADLO O=C1C[C@H]([N@@H+]2CCC(F)(F)C2)CCN1C1CC1 ZINC001172007445 974248355 /nfs/dbraw/zinc/24/83/55/974248355.db2.gz JJRSXCQAWKTTRZ-SNVBAGLBSA-N 1 2 244.285 1.481 20 0 BDADLO O=C1C[C@H]([N@H+]2CCC(F)(F)C2)CCN1C1CC1 ZINC001172007445 974248375 /nfs/dbraw/zinc/24/83/75/974248375.db2.gz JJRSXCQAWKTTRZ-SNVBAGLBSA-N 1 2 244.285 1.481 20 0 BDADLO CC(=O)CN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001330577183 974326808 /nfs/dbraw/zinc/32/68/08/974326808.db2.gz MRSFFNDJCIUIJS-UHFFFAOYSA-N 1 2 237.303 1.087 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]1Oc1cc[nH+]cc1 ZINC001225291215 974364493 /nfs/dbraw/zinc/36/44/93/974364493.db2.gz PLTRFISPKJBFDC-MNOVXSKESA-N 1 2 221.256 1.802 20 0 BDADLO O=C(N[C@H]1C=CCC1)N1CCn2c[nH+]cc2C1 ZINC001330725667 974443723 /nfs/dbraw/zinc/44/37/23/974443723.db2.gz UZAOFPKFCFGMMZ-JTQLQIEISA-N 1 2 232.287 1.127 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N1CCn2c[nH+]cc2C1 ZINC001330725669 974443831 /nfs/dbraw/zinc/44/38/31/974443831.db2.gz UZAOFPKFCFGMMZ-SNVBAGLBSA-N 1 2 232.287 1.127 20 0 BDADLO C[C@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)CCC1=O ZINC001330751345 974454346 /nfs/dbraw/zinc/45/43/46/974454346.db2.gz GPHOEZKJMVTRNR-UWVGGRQHSA-N 1 2 249.314 1.042 20 0 BDADLO C[NH+]1CC(Oc2ccc3[nH]c(=O)ccc3c2)C1 ZINC001225400196 974463768 /nfs/dbraw/zinc/46/37/68/974463768.db2.gz LBBUPDKJBDCNDN-UHFFFAOYSA-N 1 2 230.267 1.221 20 0 BDADLO O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1(F)F ZINC001172230665 974470154 /nfs/dbraw/zinc/47/01/54/974470154.db2.gz FYOGXCFORRVFCF-HUAZRZQGSA-N 1 2 247.285 1.398 20 0 BDADLO O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1(F)F ZINC001172230665 974470161 /nfs/dbraw/zinc/47/01/61/974470161.db2.gz FYOGXCFORRVFCF-HUAZRZQGSA-N 1 2 247.285 1.398 20 0 BDADLO O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1(F)F ZINC001172230663 974471670 /nfs/dbraw/zinc/47/16/70/974471670.db2.gz FYOGXCFORRVFCF-GYIHNLGQSA-N 1 2 247.285 1.398 20 0 BDADLO O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1(F)F ZINC001172230663 974471673 /nfs/dbraw/zinc/47/16/73/974471673.db2.gz FYOGXCFORRVFCF-GYIHNLGQSA-N 1 2 247.285 1.398 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(C)(C)C ZINC001172269468 974487071 /nfs/dbraw/zinc/48/70/71/974487071.db2.gz DKRUTTVYCWHESY-NXEZZACHSA-N 1 2 243.347 1.731 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)CO1 ZINC001172282166 974542808 /nfs/dbraw/zinc/54/28/08/974542808.db2.gz ARJGBFPEORYMDL-GUBZILKMSA-N 1 2 219.275 1.936 20 0 BDADLO CC1(C)C[C@H]([N@H+]2C[C@@H](F)C[C@H]2CF)CO1 ZINC001172282166 974542814 /nfs/dbraw/zinc/54/28/14/974542814.db2.gz ARJGBFPEORYMDL-GUBZILKMSA-N 1 2 219.275 1.936 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CCn3nccc3C2)CO1 ZINC001172294575 974564806 /nfs/dbraw/zinc/56/48/06/974564806.db2.gz NDARXLDBWVKPKM-LLVKDONJSA-N 1 2 221.304 1.266 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CCn3nccc3C2)CO1 ZINC001172294575 974564815 /nfs/dbraw/zinc/56/48/15/974564815.db2.gz NDARXLDBWVKPKM-LLVKDONJSA-N 1 2 221.304 1.266 20 0 BDADLO CON(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC001331108609 974603615 /nfs/dbraw/zinc/60/36/15/974603615.db2.gz BEEQVYGUBVFVOI-UHFFFAOYSA-N 1 2 225.292 1.462 20 0 BDADLO CCc1nccc(N2CC(n3cc[nH+]c3)C2)n1 ZINC001331129884 974614150 /nfs/dbraw/zinc/61/41/50/974614150.db2.gz DBWQQWFZKYKEIT-UHFFFAOYSA-N 1 2 229.287 1.297 20 0 BDADLO C[C@H](C(=O)N1CC2(C1)CCOCC2)n1cc[nH+]c1 ZINC001331156680 974624450 /nfs/dbraw/zinc/62/44/50/974624450.db2.gz UORINBQVFSXMOQ-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO O=C(Cc1cccnc1)N[C@H]1CCn2c[nH+]cc21 ZINC001331224123 974651007 /nfs/dbraw/zinc/65/10/07/974651007.db2.gz FPLDXQVSPNZYFE-NSHDSACASA-N 1 2 242.282 1.082 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1CC2(CC2(F)F)C1 ZINC001331262957 974664612 /nfs/dbraw/zinc/66/46/12/974664612.db2.gz IISWAIRCWUXADP-UHFFFAOYSA-N 1 2 241.241 1.187 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001172415926 974684610 /nfs/dbraw/zinc/68/46/10/974684610.db2.gz BYYFLKHWHLJGQA-JTQLQIEISA-N 1 2 221.304 1.607 20 0 BDADLO CCOCC[C@H](C)[N@H+]1Cc2cncnc2C1 ZINC001172415926 974684611 /nfs/dbraw/zinc/68/46/11/974684611.db2.gz BYYFLKHWHLJGQA-JTQLQIEISA-N 1 2 221.304 1.607 20 0 BDADLO CC[C@@H](CC(C)C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001172384430 974729068 /nfs/dbraw/zinc/72/90/68/974729068.db2.gz HMZBNTFUBLYNES-VWYCJHECSA-N 1 2 231.336 1.323 20 0 BDADLO c1nc(C[NH+]2CCC3(CCCCO3)CC2)n[nH]1 ZINC001331836160 974832252 /nfs/dbraw/zinc/83/22/52/974832252.db2.gz HEOYCGSNUNMSQO-UHFFFAOYSA-N 1 2 236.319 1.340 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cnccc2Cl)C1 ZINC001226293469 974844320 /nfs/dbraw/zinc/84/43/20/974844320.db2.gz HYLFCHKUUQECBC-VIFPVBQESA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cnccc2Cl)C1 ZINC001226293469 974844325 /nfs/dbraw/zinc/84/43/25/974844325.db2.gz HYLFCHKUUQECBC-VIFPVBQESA-N 1 2 242.706 1.444 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2noc3ccccc32)C1 ZINC001226401991 974883656 /nfs/dbraw/zinc/88/36/56/974883656.db2.gz DDEUTXRKFHGVCZ-JTQLQIEISA-N 1 2 248.282 1.537 20 0 BDADLO C[N@H+]1CCO[C@H](COc2noc3ccccc32)C1 ZINC001226401991 974883658 /nfs/dbraw/zinc/88/36/58/974883658.db2.gz DDEUTXRKFHGVCZ-JTQLQIEISA-N 1 2 248.282 1.537 20 0 BDADLO C[NH+]1CC(Oc2ccc3cnoc3c2)C1 ZINC001226447471 974899964 /nfs/dbraw/zinc/89/99/64/974899964.db2.gz WCCQGSAVZXXXKU-UHFFFAOYSA-N 1 2 204.229 1.521 20 0 BDADLO Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCOC1=O)CC2 ZINC001172822692 974946364 /nfs/dbraw/zinc/94/63/64/974946364.db2.gz AWPSVEPXRKXLBC-KGLIPLIRSA-N 1 2 245.322 1.757 20 0 BDADLO CCc1nc(N(C)C[C@@H](C)C(=O)OC)cc[nH+]1 ZINC001332254958 975031500 /nfs/dbraw/zinc/03/15/00/975031500.db2.gz ZKTHYMCEKLYGNU-SECBINFHSA-N 1 2 237.303 1.284 20 0 BDADLO C[NH+]1CC(Oc2cncc3ccccc32)C1 ZINC001226745315 975053358 /nfs/dbraw/zinc/05/33/58/975053358.db2.gz AJIWGDLXHBFOOU-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)[O-])n1C ZINC001332406057 975096967 /nfs/dbraw/zinc/09/69/67/975096967.db2.gz GLAOGASFFQOJLG-WDEREUQCSA-N 1 2 237.303 1.071 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(c2)NC(=O)CC3)C1 ZINC001226871154 975130052 /nfs/dbraw/zinc/13/00/52/975130052.db2.gz NNOKUHGGQKJKAQ-UHFFFAOYSA-N 1 2 232.283 1.264 20 0 BDADLO c1ccc(C[NH+]2CC(Oc3ccnnc3)C2)cc1 ZINC001226906896 975142257 /nfs/dbraw/zinc/14/22/57/975142257.db2.gz KRVJGXLDJQCMPW-UHFFFAOYSA-N 1 2 241.294 1.740 20 0 BDADLO C[NH+]1CC(Oc2ccc3ccc(=O)oc3c2)C1 ZINC001226907916 975145441 /nfs/dbraw/zinc/14/54/41/975145441.db2.gz GHNKBGQDHIIXQG-UHFFFAOYSA-N 1 2 231.251 1.486 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3[nH]cnc3c2)C1 ZINC001226927790 975155525 /nfs/dbraw/zinc/15/55/25/975155525.db2.gz AYUJPDAHPWEZPW-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3[nH]cnc3c2)C1 ZINC001226927790 975155533 /nfs/dbraw/zinc/15/55/33/975155533.db2.gz AYUJPDAHPWEZPW-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO COCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001332897505 975313761 /nfs/dbraw/zinc/31/37/61/975313761.db2.gz MVCRTVSTVRPPGM-LLVKDONJSA-N 1 2 233.315 1.816 20 0 BDADLO COCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001332897505 975313767 /nfs/dbraw/zinc/31/37/67/975313767.db2.gz MVCRTVSTVRPPGM-LLVKDONJSA-N 1 2 233.315 1.816 20 0 BDADLO Cc1ccnc(C)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001227263079 975338039 /nfs/dbraw/zinc/33/80/39/975338039.db2.gz BWFHAAJWRONJJC-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1ccnc(C)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001227263079 975338051 /nfs/dbraw/zinc/33/80/51/975338051.db2.gz BWFHAAJWRONJJC-GFCCVEGCSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)N(C)C[C@@H]2C)c1 ZINC001332967536 975346215 /nfs/dbraw/zinc/34/62/15/975346215.db2.gz IMRFCLXRRICBPQ-LBPRGKRZSA-N 1 2 247.342 1.361 20 0 BDADLO CC[N@@H+]1CC[C@@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271146 975347645 /nfs/dbraw/zinc/34/76/45/975347645.db2.gz QWEDKVLUHSYIIW-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO CC[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271146 975347656 /nfs/dbraw/zinc/34/76/56/975347656.db2.gz QWEDKVLUHSYIIW-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO Cn1cnc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001206199068 975368107 /nfs/dbraw/zinc/36/81/07/975368107.db2.gz OPGKLXUDWHZCHO-SNVBAGLBSA-N 1 2 211.284 1.744 20 0 BDADLO Cn1cnc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001206199068 975368117 /nfs/dbraw/zinc/36/81/17/975368117.db2.gz OPGKLXUDWHZCHO-SNVBAGLBSA-N 1 2 211.284 1.744 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)CCCCC(=O)OC ZINC001173453820 975394561 /nfs/dbraw/zinc/39/45/61/975394561.db2.gz OCVUERYYHINRIR-SNVBAGLBSA-N 1 2 245.319 1.261 20 0 BDADLO C[NH+](C)Cc1nnc(Cn2cc(C3CC3)cn2)o1 ZINC001333120285 975449017 /nfs/dbraw/zinc/44/90/17/975449017.db2.gz BNIBPSKDUGEDDF-UHFFFAOYSA-N 1 2 247.302 1.253 20 0 BDADLO COC[C@H](C)[C@@H](C)c1nnc(C[NH+](C)C)o1 ZINC001333123247 975458572 /nfs/dbraw/zinc/45/85/72/975458572.db2.gz ZSBPYJLPOCWDAC-DTWKUNHWSA-N 1 2 227.308 1.517 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ncnn1C ZINC001333320897 975657773 /nfs/dbraw/zinc/65/77/73/975657773.db2.gz GOLHLNNYXPALLR-VHSXEESVSA-N 1 2 246.318 1.197 20 0 BDADLO CO[C@](C)(C[NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC001333371170 975717752 /nfs/dbraw/zinc/71/77/52/975717752.db2.gz PKHHGKHZOAKQQG-PRHODGIISA-N 1 2 239.319 1.844 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001333387463 975735945 /nfs/dbraw/zinc/73/59/45/975735945.db2.gz VIKQKAYODNYPPJ-NSHDSACASA-N 1 2 222.288 1.773 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001333387463 975735961 /nfs/dbraw/zinc/73/59/61/975735961.db2.gz VIKQKAYODNYPPJ-NSHDSACASA-N 1 2 222.288 1.773 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1C ZINC001333465050 975792609 /nfs/dbraw/zinc/79/26/09/975792609.db2.gz DQMRXVNGXSOMEU-OIBJUYFYSA-N 1 2 246.318 1.414 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC001333463143 975795320 /nfs/dbraw/zinc/79/53/20/975795320.db2.gz VAHNXDCCBHYVOP-INJWIWPUSA-N 1 2 236.319 1.247 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCn2cnnc2[C@@H]1C ZINC001333463143 975795338 /nfs/dbraw/zinc/79/53/38/975795338.db2.gz VAHNXDCCBHYVOP-INJWIWPUSA-N 1 2 236.319 1.247 20 0 BDADLO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ncn[nH]1)C(C)C ZINC001333605076 975888409 /nfs/dbraw/zinc/88/84/09/975888409.db2.gz KJSDURRLSALIKJ-JQWIXIFHSA-N 1 2 240.351 1.183 20 0 BDADLO CCc1cc(N2CC(O)(C3CC3)C2)nc(CC)[nH+]1 ZINC001333705093 976015019 /nfs/dbraw/zinc/01/50/19/976015019.db2.gz BHHZXFAXPADPAD-UHFFFAOYSA-N 1 2 247.342 1.563 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001333745559 976052651 /nfs/dbraw/zinc/05/26/51/976052651.db2.gz LZZDZUSPIQCNSY-OLZOCXBDSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001333745559 976052662 /nfs/dbraw/zinc/05/26/62/976052662.db2.gz LZZDZUSPIQCNSY-OLZOCXBDSA-N 1 2 249.358 1.810 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCC(F)F ZINC001333781373 976079311 /nfs/dbraw/zinc/07/93/11/976079311.db2.gz WQTVBLDICRLUCM-UHFFFAOYSA-N 1 2 232.234 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCC(F)F ZINC001333781373 976079329 /nfs/dbraw/zinc/07/93/29/976079329.db2.gz WQTVBLDICRLUCM-UHFFFAOYSA-N 1 2 232.234 1.525 20 0 BDADLO C[N@H+](CCCF)CN1Cc2cccnc2C1=O ZINC001333846419 976122699 /nfs/dbraw/zinc/12/26/99/976122699.db2.gz JWQVTWSOSBNDMP-UHFFFAOYSA-N 1 2 237.278 1.286 20 0 BDADLO C[N@@H+](CCCF)CN1Cc2cccnc2C1=O ZINC001333846419 976122710 /nfs/dbraw/zinc/12/27/10/976122710.db2.gz JWQVTWSOSBNDMP-UHFFFAOYSA-N 1 2 237.278 1.286 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccn2)C1 ZINC001206220673 976291591 /nfs/dbraw/zinc/29/15/91/976291591.db2.gz BQYNOHPHQKWUEQ-JTQLQIEISA-N 1 2 245.248 1.547 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccn2)C1 ZINC001206220673 976291610 /nfs/dbraw/zinc/29/16/10/976291610.db2.gz BQYNOHPHQKWUEQ-JTQLQIEISA-N 1 2 245.248 1.547 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228663877 976422602 /nfs/dbraw/zinc/42/26/02/976422602.db2.gz HLQPFMSAVPWIHB-JTQLQIEISA-N 1 2 232.287 1.431 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228663877 976422604 /nfs/dbraw/zinc/42/26/04/976422604.db2.gz HLQPFMSAVPWIHB-JTQLQIEISA-N 1 2 232.287 1.431 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC001334355716 976466581 /nfs/dbraw/zinc/46/65/81/976466581.db2.gz PIPZSKDEVIVVFC-SFYZADRCSA-N 1 2 249.318 1.832 20 0 BDADLO CCn1ncc(C)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001334559220 976554787 /nfs/dbraw/zinc/55/47/87/976554787.db2.gz RRGXWPCFYDBFGD-SNVBAGLBSA-N 1 2 247.302 1.608 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001334601314 976565894 /nfs/dbraw/zinc/56/58/94/976565894.db2.gz ALCIWWSURCCDTB-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)c(C)nn1 ZINC001334662445 976577964 /nfs/dbraw/zinc/57/79/64/976577964.db2.gz UHMPVVUYICSBPJ-AWEZNQCLSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)c(C)nn1 ZINC001334662445 976577975 /nfs/dbraw/zinc/57/79/75/976577975.db2.gz UHMPVVUYICSBPJ-AWEZNQCLSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1cnc(NC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001334739036 976612107 /nfs/dbraw/zinc/61/21/07/976612107.db2.gz ILWFLNVNLJYAEU-UHFFFAOYSA-N 1 2 237.303 1.653 20 0 BDADLO C[C@@H]1CCC(=O)CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001334761374 976628183 /nfs/dbraw/zinc/62/81/83/976628183.db2.gz ZCZLVXAGTYCISW-SECBINFHSA-N 1 2 249.314 1.267 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc(C3CC3)cn2)C1 ZINC001228999903 976635353 /nfs/dbraw/zinc/63/53/53/976635353.db2.gz FQSDVRWJZVWWIK-ZDUSSCGKSA-N 1 2 248.326 1.668 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc(C3CC3)cn2)C1 ZINC001228999903 976635358 /nfs/dbraw/zinc/63/53/58/976635358.db2.gz FQSDVRWJZVWWIK-ZDUSSCGKSA-N 1 2 248.326 1.668 20 0 BDADLO CCn1nncc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC001334932233 976796044 /nfs/dbraw/zinc/79/60/44/976796044.db2.gz ACHSYRJRKTXSBR-LLVKDONJSA-N 1 2 246.318 1.119 20 0 BDADLO FC[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC001335072605 976837167 /nfs/dbraw/zinc/83/71/67/976837167.db2.gz DHLUKSBKTJLRQS-VIFPVBQESA-N 1 2 220.251 1.525 20 0 BDADLO COC(=O)[C@@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC001335094317 976850408 /nfs/dbraw/zinc/85/04/08/976850408.db2.gz MNOFNWUECMEVAL-BDAKNGLRSA-N 1 2 238.262 1.396 20 0 BDADLO C[C@H](C(=O)N1CCCC12CCC2)n1cc[nH+]c1 ZINC001335227811 976888629 /nfs/dbraw/zinc/88/86/29/976888629.db2.gz IPDNRRUDHFWHGO-LLVKDONJSA-N 1 2 233.315 1.989 20 0 BDADLO C[NH+]1CC(Oc2cccc3c2CCC(=O)N3)C1 ZINC001229637582 976924849 /nfs/dbraw/zinc/92/48/49/976924849.db2.gz NUVXDMKAMRUDAP-UHFFFAOYSA-N 1 2 232.283 1.264 20 0 BDADLO C[NH+]1CC(Oc2ccc(-n3ccnc3)cc2)C1 ZINC001229951650 977031594 /nfs/dbraw/zinc/03/15/94/977031594.db2.gz SNZMYULPMKOGRP-UHFFFAOYSA-N 1 2 229.283 1.565 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c1F ZINC001277448535 977123302 /nfs/dbraw/zinc/12/33/02/977123302.db2.gz QDOUYUXGDIWCOW-RISCZKNCSA-N 1 2 248.301 1.584 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)c1F ZINC001277448535 977123308 /nfs/dbraw/zinc/12/33/08/977123308.db2.gz QDOUYUXGDIWCOW-RISCZKNCSA-N 1 2 248.301 1.584 20 0 BDADLO CSCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230709896 977309077 /nfs/dbraw/zinc/30/90/77/977309077.db2.gz GAJVTLDDOUNGPT-SNVBAGLBSA-N 1 2 248.367 1.242 20 0 BDADLO CSCCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230709896 977309091 /nfs/dbraw/zinc/30/90/91/977309091.db2.gz GAJVTLDDOUNGPT-SNVBAGLBSA-N 1 2 248.367 1.242 20 0 BDADLO CC(C)[NH+]1CC(Oc2cnc(C3CC3)nc2)C1 ZINC001230746540 977321242 /nfs/dbraw/zinc/32/12/42/977321242.db2.gz QVNMBSHZLLCXEA-UHFFFAOYSA-N 1 2 233.315 1.825 20 0 BDADLO CC[NH+]1CC(Oc2cnc(C3CC3)nc2)C1 ZINC001230744337 977322639 /nfs/dbraw/zinc/32/26/39/977322639.db2.gz KKSOJLWEENGYBT-UHFFFAOYSA-N 1 2 219.288 1.437 20 0 BDADLO CC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230812709 977341323 /nfs/dbraw/zinc/34/13/23/977341323.db2.gz YNMQJBLWTQNKDO-QWRGUYRKSA-N 1 2 230.327 1.535 20 0 BDADLO CC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230812709 977341331 /nfs/dbraw/zinc/34/13/31/977341331.db2.gz YNMQJBLWTQNKDO-QWRGUYRKSA-N 1 2 230.327 1.535 20 0 BDADLO CN(C)c1ccc(Nc2ccc(CO)nc2)c[nH+]1 ZINC001175342949 977365029 /nfs/dbraw/zinc/36/50/29/977365029.db2.gz ZPVPXBOJTSPYSJ-UHFFFAOYSA-N 1 2 244.298 1.779 20 0 BDADLO CN(C)c1ccc(Nc2ccnn2C)c[nH+]1 ZINC001175337705 977382211 /nfs/dbraw/zinc/38/22/11/977382211.db2.gz JKTMTCRYPAGSEX-UHFFFAOYSA-N 1 2 217.276 1.625 20 0 BDADLO O=C1OCC[C@H]1Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920471 977385186 /nfs/dbraw/zinc/38/51/86/977385186.db2.gz NPCVWGIFZWOUBJ-LLVKDONJSA-N 1 2 247.250 1.062 20 0 BDADLO CN(C)c1ccc(Nc2ccnnc2)c[nH+]1 ZINC001175338315 977388343 /nfs/dbraw/zinc/38/83/43/977388343.db2.gz BQKKCSPTUIIAGL-UHFFFAOYSA-N 1 2 215.260 1.681 20 0 BDADLO C[C@H](C(=O)N[C@]12CCC[C@H]1OCC2)n1cc[nH+]c1 ZINC001175436787 977430446 /nfs/dbraw/zinc/43/04/46/977430446.db2.gz DNGWAAGAXSNTSA-WZRBSPASSA-N 1 2 249.314 1.272 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(OC2COC2)cc1 ZINC001231079082 977463849 /nfs/dbraw/zinc/46/38/49/977463849.db2.gz GSGZTCCTVAXWDN-UHFFFAOYSA-N 1 2 230.267 1.865 20 0 BDADLO C[N@@H+]1CCC=C(Nc2c[nH]ccc2=O)C1 ZINC001175575856 977582140 /nfs/dbraw/zinc/58/21/40/977582140.db2.gz AZCKQPSLEDLKOM-UHFFFAOYSA-N 1 2 205.261 1.006 20 0 BDADLO C[N@H+]1CCC=C(Nc2c[nH]ccc2=O)C1 ZINC001175575856 977582146 /nfs/dbraw/zinc/58/21/46/977582146.db2.gz AZCKQPSLEDLKOM-UHFFFAOYSA-N 1 2 205.261 1.006 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nncs1)C2 ZINC001336422629 977677108 /nfs/dbraw/zinc/67/71/08/977677108.db2.gz AQWCPFSUONTSQB-UHFFFAOYSA-N 1 2 235.316 1.317 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C)Cc2ccncn2)n1 ZINC001231676546 977692279 /nfs/dbraw/zinc/69/22/79/977692279.db2.gz HHQRTYMQLRBGAE-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)Cc2ccncn2)n1 ZINC001231676546 977692292 /nfs/dbraw/zinc/69/22/92/977692292.db2.gz HHQRTYMQLRBGAE-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC001594555476 977713031 /nfs/dbraw/zinc/71/30/31/977713031.db2.gz GHROCFLSPXMWSK-QWRGUYRKSA-N 1 2 249.314 1.073 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC001594555476 977713045 /nfs/dbraw/zinc/71/30/45/977713045.db2.gz GHROCFLSPXMWSK-QWRGUYRKSA-N 1 2 249.314 1.073 20 0 BDADLO COc1cccc2c(C[NH+]3CC(O)C3)c[nH]c21 ZINC001231895921 977790183 /nfs/dbraw/zinc/79/01/83/977790183.db2.gz RASMLBJRVLDADM-UHFFFAOYSA-N 1 2 232.283 1.353 20 0 BDADLO N#CN1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC001231909427 977792655 /nfs/dbraw/zinc/79/26/55/977792655.db2.gz NKZJFRYMVOPMMK-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO COc1cnc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)cn1 ZINC001231939540 977807860 /nfs/dbraw/zinc/80/78/60/977807860.db2.gz YTVDIYKEQKNSBC-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cnc(C[N@H+]2C[C@@H](C)C[C@H]2CF)cn1 ZINC001231939540 977807865 /nfs/dbraw/zinc/80/78/65/977807865.db2.gz YTVDIYKEQKNSBC-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cnc(C[NH+]2CC3(CCC3)C2)cn1 ZINC001231939332 977808542 /nfs/dbraw/zinc/80/85/42/977808542.db2.gz RCIYIVOYAKYGBR-UHFFFAOYSA-N 1 2 219.288 1.471 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)CCF ZINC001231986047 977823445 /nfs/dbraw/zinc/82/34/45/977823445.db2.gz CPVDMNDWZUDFGB-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)CCF ZINC001231986047 977823449 /nfs/dbraw/zinc/82/34/49/977823449.db2.gz CPVDMNDWZUDFGB-UHFFFAOYSA-N 1 2 200.232 1.930 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(O)C2)cc(C)n1 ZINC001231995657 977830813 /nfs/dbraw/zinc/83/08/13/977830813.db2.gz QNSYOCQOGPGBLZ-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO C[N@H+](Cc1ccc(=O)[nH]n1)Cc1ccccc1F ZINC001232024104 977854072 /nfs/dbraw/zinc/85/40/72/977854072.db2.gz JQEKUKTZSPPOOY-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@@H+](Cc1ccc(=O)[nH]n1)Cc1ccccc1F ZINC001232024104 977854081 /nfs/dbraw/zinc/85/40/81/977854081.db2.gz JQEKUKTZSPPOOY-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO CCOC(=O)c1cnc(Nc2[nH]cc[nH+]2)cn1 ZINC001176080725 977876346 /nfs/dbraw/zinc/87/63/46/977876346.db2.gz WSFLMAFPXMPXFG-UHFFFAOYSA-N 1 2 233.231 1.120 20 0 BDADLO COc1nc(Nc2cc(C)[nH+]c(C)c2)cc(=O)[nH]1 ZINC001176051618 977897788 /nfs/dbraw/zinc/89/77/88/977897788.db2.gz GWEWKLFHFNRITJ-UHFFFAOYSA-N 1 2 246.270 1.368 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)C[C@@H](O)c1ccccc1 ZINC001336778629 977951057 /nfs/dbraw/zinc/95/10/57/977951057.db2.gz JLWAUKJAELIFSS-GHMZBOCLSA-N 1 2 245.269 1.326 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)C[C@H](O)c1ccccc1 ZINC001336778630 977951300 /nfs/dbraw/zinc/95/13/00/977951300.db2.gz JLWAUKJAELIFSS-MNOVXSKESA-N 1 2 245.269 1.326 20 0 BDADLO c1nscc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001232231304 977963038 /nfs/dbraw/zinc/96/30/38/977963038.db2.gz MZODCVIWBFIEHS-JTQLQIEISA-N 1 2 210.302 1.508 20 0 BDADLO c1nscc1C[N@H+]1CC[C@@]12CCOC2 ZINC001232231304 977963045 /nfs/dbraw/zinc/96/30/45/977963045.db2.gz MZODCVIWBFIEHS-JTQLQIEISA-N 1 2 210.302 1.508 20 0 BDADLO OC1C[NH+](Cc2nccc3ccccc32)C1 ZINC001232247805 977977336 /nfs/dbraw/zinc/97/73/36/977977336.db2.gz BIQHWSJBEHKCKB-UHFFFAOYSA-N 1 2 214.268 1.411 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(N)nc2C)C1 ZINC001232340404 978018008 /nfs/dbraw/zinc/01/80/08/978018008.db2.gz QHABTUPSKLAWGK-UHFFFAOYSA-N 1 2 221.304 1.193 20 0 BDADLO OCc1cc[nH+]c(NCCC2CCOCC2)c1 ZINC001336918742 978057144 /nfs/dbraw/zinc/05/71/44/978057144.db2.gz QKHYECWWODZYLF-UHFFFAOYSA-N 1 2 236.315 1.803 20 0 BDADLO COC(=O)c1cccc2n[nH]c(C[NH+]3CCC3)c21 ZINC001232435411 978077262 /nfs/dbraw/zinc/07/72/62/978077262.db2.gz XVIOALYAYDNUQT-UHFFFAOYSA-N 1 2 245.282 1.555 20 0 BDADLO COC(=O)c1cccc2[nH]nc(C[NH+]3CCC3)c21 ZINC001232435411 978077273 /nfs/dbraw/zinc/07/72/73/978077273.db2.gz XVIOALYAYDNUQT-UHFFFAOYSA-N 1 2 245.282 1.555 20 0 BDADLO Cc1[nH]c(CN2Cc3cccnc3C2)c[nH+]1 ZINC001232458903 978081202 /nfs/dbraw/zinc/08/12/02/978081202.db2.gz VNWGNWAPEYPGSE-UHFFFAOYSA-N 1 2 214.272 1.629 20 0 BDADLO Cc1[nH]cc(CN2Cc3cccnc3C2)[nH+]1 ZINC001232458903 978081212 /nfs/dbraw/zinc/08/12/12/978081212.db2.gz VNWGNWAPEYPGSE-UHFFFAOYSA-N 1 2 214.272 1.629 20 0 BDADLO C[C@@H](C(=O)N1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001595527136 978082353 /nfs/dbraw/zinc/08/23/53/978082353.db2.gz RHILCZUIIMIOQN-JTQLQIEISA-N 1 2 219.288 1.457 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(CCC2)C1 ZINC001595526336 978083279 /nfs/dbraw/zinc/08/32/79/978083279.db2.gz BXVJQRSXXFPEOT-UHFFFAOYSA-N 1 2 219.288 1.273 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(F)ccn1 ZINC001232497173 978152314 /nfs/dbraw/zinc/15/23/14/978152314.db2.gz FXNHHMPNOLXAGV-LLVKDONJSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(F)ccn1 ZINC001232497173 978152319 /nfs/dbraw/zinc/15/23/19/978152319.db2.gz FXNHHMPNOLXAGV-LLVKDONJSA-N 1 2 210.252 1.441 20 0 BDADLO COc1ncnc(OC)c1C[N@H+](C)C(C)C ZINC001232513129 978155815 /nfs/dbraw/zinc/15/58/15/978155815.db2.gz SKOOYQBEFHAPFL-UHFFFAOYSA-N 1 2 225.292 1.334 20 0 BDADLO COc1ncnc(OC)c1C[N@@H+](C)C(C)C ZINC001232513129 978155825 /nfs/dbraw/zinc/15/58/25/978155825.db2.gz SKOOYQBEFHAPFL-UHFFFAOYSA-N 1 2 225.292 1.334 20 0 BDADLO CCC[N@H+](C)Cc1c(OC)ncnc1OC ZINC001232511874 978158710 /nfs/dbraw/zinc/15/87/10/978158710.db2.gz BONUEHORNHMLTM-UHFFFAOYSA-N 1 2 225.292 1.336 20 0 BDADLO CCC[N@@H+](C)Cc1c(OC)ncnc1OC ZINC001232511874 978158715 /nfs/dbraw/zinc/15/87/15/978158715.db2.gz BONUEHORNHMLTM-UHFFFAOYSA-N 1 2 225.292 1.336 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)[nH+]c1C ZINC001337134469 978179278 /nfs/dbraw/zinc/17/92/78/978179278.db2.gz ZMTLBTORNPEWRF-YUSALJHKSA-N 1 2 249.314 1.068 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccn2nccc12 ZINC001176827819 978190265 /nfs/dbraw/zinc/19/02/65/978190265.db2.gz ROOYXGLBPGGAOB-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO CN(C(=O)Cc1c[nH]c[nH+]1)c1ccccc1N ZINC001176832119 978197884 /nfs/dbraw/zinc/19/78/84/978197884.db2.gz IUMRMEJAEVRFSL-UHFFFAOYSA-N 1 2 230.271 1.197 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001176831767 978198668 /nfs/dbraw/zinc/19/86/68/978198668.db2.gz XCIVDEWSEUGATO-PHIMTYICSA-N 1 2 247.298 1.065 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC(F)(C2CC2)C1 ZINC001176872959 978216797 /nfs/dbraw/zinc/21/67/97/978216797.db2.gz XAEIQYASHWOBBZ-UHFFFAOYSA-N 1 2 237.278 1.234 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccnc(Cl)c1C ZINC001232751760 978259072 /nfs/dbraw/zinc/25/90/72/978259072.db2.gz PBZMLXQCTDQDBM-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccnc(Cl)c1C ZINC001232751760 978259082 /nfs/dbraw/zinc/25/90/82/978259082.db2.gz PBZMLXQCTDQDBM-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO Cc1ccsc1/C=C/C(=O)NC1C[NH+](C)C1 ZINC001177075718 978290799 /nfs/dbraw/zinc/29/07/99/978290799.db2.gz YJXJEMBFDWIWRL-ONEGZZNKSA-N 1 2 236.340 1.500 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CCOC[C@H]2C)c1 ZINC001232879110 978313281 /nfs/dbraw/zinc/31/32/81/978313281.db2.gz BKMAHPVVEIOAOW-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC001232879110 978313292 /nfs/dbraw/zinc/31/32/92/978313292.db2.gz BKMAHPVVEIOAOW-LLVKDONJSA-N 1 2 221.300 1.921 20 0 BDADLO COC(=O)C[N@H+](C)Cc1c[nH]c2ccc(O)cc12 ZINC001232872167 978317062 /nfs/dbraw/zinc/31/70/62/978317062.db2.gz RFYWMXCYNMTMDP-UHFFFAOYSA-N 1 2 248.282 1.478 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1c[nH]c2ccc(O)cc12 ZINC001232872167 978317071 /nfs/dbraw/zinc/31/70/71/978317071.db2.gz RFYWMXCYNMTMDP-UHFFFAOYSA-N 1 2 248.282 1.478 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(C)cc(O)c2)C[C@@H]1F ZINC001232881014 978322165 /nfs/dbraw/zinc/32/21/65/978322165.db2.gz UNOPXNWMELLCSP-STQMWFEESA-N 1 2 239.290 1.869 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(C)cc(O)c2)C[C@@H]1F ZINC001232881014 978322170 /nfs/dbraw/zinc/32/21/70/978322170.db2.gz UNOPXNWMELLCSP-STQMWFEESA-N 1 2 239.290 1.869 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001232884391 978323654 /nfs/dbraw/zinc/32/36/54/978323654.db2.gz NJFFVOTURDPBHL-AAEUAGOBSA-N 1 2 219.284 1.674 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001232884391 978323663 /nfs/dbraw/zinc/32/36/63/978323663.db2.gz NJFFVOTURDPBHL-AAEUAGOBSA-N 1 2 219.284 1.674 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+]1CCC2(CC2)C1 ZINC001232914043 978328786 /nfs/dbraw/zinc/32/87/86/978328786.db2.gz IBQCFMLFAHOWSY-UHFFFAOYSA-N 1 2 249.314 1.572 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+]1CCC2(CC2)C1 ZINC001232914043 978328798 /nfs/dbraw/zinc/32/87/98/978328798.db2.gz IBQCFMLFAHOWSY-UHFFFAOYSA-N 1 2 249.314 1.572 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ccsc2C1 ZINC001337454115 978345871 /nfs/dbraw/zinc/34/58/71/978345871.db2.gz YQRLZUTYHSHTOV-UHFFFAOYSA-N 1 2 247.323 1.599 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H]1F ZINC001337510206 978381212 /nfs/dbraw/zinc/38/12/12/978381212.db2.gz QTQMTCBJVOCFMB-RKDXNWHRSA-N 1 2 208.236 1.417 20 0 BDADLO CC[N@H+](Cc1cc(F)cnc1C)C1CN(C)C1 ZINC001232994470 978393118 /nfs/dbraw/zinc/39/31/18/978393118.db2.gz WNDXJDHNJWAHTL-UHFFFAOYSA-N 1 2 237.322 1.665 20 0 BDADLO CC[N@@H+](Cc1cc(F)cnc1C)C1CN(C)C1 ZINC001232994470 978393131 /nfs/dbraw/zinc/39/31/31/978393131.db2.gz WNDXJDHNJWAHTL-UHFFFAOYSA-N 1 2 237.322 1.665 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCOC1 ZINC001337641566 978437906 /nfs/dbraw/zinc/43/79/06/978437906.db2.gz YVYQWAJHKKKVEG-LLVKDONJSA-N 1 2 234.299 1.485 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CC1(C)COC1 ZINC001337640080 978438192 /nfs/dbraw/zinc/43/81/92/978438192.db2.gz OHYXRKZBBJJPBD-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO CCC(CC)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921595 978473655 /nfs/dbraw/zinc/47/36/55/978473655.db2.gz HCVYMIOMNRTYRC-SNVBAGLBSA-N 1 2 223.320 1.997 20 0 BDADLO Cc1c(NC(=O)[C@@H](C)n2cc[nH+]c2)cnn1C ZINC001177918319 978473743 /nfs/dbraw/zinc/47/37/43/978473743.db2.gz VGSHHFUTAYPMMA-SECBINFHSA-N 1 2 233.275 1.125 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cnc(C)c(C)c1 ZINC001233157008 978476526 /nfs/dbraw/zinc/47/65/26/978476526.db2.gz YJOPINDNWPTBLW-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cnc(C)c(C)c1 ZINC001233157008 978476530 /nfs/dbraw/zinc/47/65/30/978476530.db2.gz YJOPINDNWPTBLW-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO C[C@H](C(=O)N[C@H]1CC12CCC2)n1cc[nH+]c1 ZINC001177929966 978480293 /nfs/dbraw/zinc/48/02/93/978480293.db2.gz WFLKITSZASYCSE-ZJUUUORDSA-N 1 2 219.288 1.503 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]1C1CC1 ZINC001178001754 978487703 /nfs/dbraw/zinc/48/77/03/978487703.db2.gz WEPLFHQWUPULBN-NXEZZACHSA-N 1 2 219.288 1.257 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)Nc1cc(N)nc[nH+]1 ZINC001337769200 978491128 /nfs/dbraw/zinc/49/11/28/978491128.db2.gz QEFHABFZPNYTDL-SSDOTTSWSA-N 1 2 232.291 1.274 20 0 BDADLO CCc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001177993032 978495299 /nfs/dbraw/zinc/49/52/99/978495299.db2.gz GGRFYIDNGCAURU-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO O=C(NCc1cc[nH]c1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119054 978505119 /nfs/dbraw/zinc/50/51/19/978505119.db2.gz JBESTPFHUCUFSW-NSHDSACASA-N 1 2 244.298 1.090 20 0 BDADLO C[C@@H]1CC(=O)CCN1Cc1cccc2[nH+]ccn21 ZINC001233360961 978572564 /nfs/dbraw/zinc/57/25/64/978572564.db2.gz QDXNEXMEIXEHND-LLVKDONJSA-N 1 2 243.310 1.888 20 0 BDADLO Cc1nc(N(C)Cc2ccn(C)n2)c(C)c(C)[nH+]1 ZINC001337953799 978573748 /nfs/dbraw/zinc/57/37/48/978573748.db2.gz GXMACMCFGCRBKY-UHFFFAOYSA-N 1 2 245.330 1.772 20 0 BDADLO O=C1CCN(Cc2cccc3[nH+]ccn32)C[C@@H]1F ZINC001233363615 978575625 /nfs/dbraw/zinc/57/56/25/978575625.db2.gz PPICRBAULPATGP-NSHDSACASA-N 1 2 247.273 1.447 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC23COC3)o1 ZINC001233367081 978579007 /nfs/dbraw/zinc/57/90/07/978579007.db2.gz JHRSOOGWHBSPBF-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC23COC3)o1 ZINC001233367081 978579016 /nfs/dbraw/zinc/57/90/16/978579016.db2.gz JHRSOOGWHBSPBF-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@]3(CNC(=O)C3)C2)[nH+]1 ZINC001337962639 978579918 /nfs/dbraw/zinc/57/99/18/978579918.db2.gz RGRMKDDTESAAPP-CYBMUJFWSA-N 1 2 249.289 1.246 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC001233368391 978580336 /nfs/dbraw/zinc/58/03/36/978580336.db2.gz NITZUYKXBMTXDL-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)o1 ZINC001233368391 978580341 /nfs/dbraw/zinc/58/03/41/978580341.db2.gz NITZUYKXBMTXDL-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Nc1cccc(C[N@@H+]2CCc3occc3C2)n1 ZINC001233372306 978587335 /nfs/dbraw/zinc/58/73/35/978587335.db2.gz IFLVGFXIDWSSFB-UHFFFAOYSA-N 1 2 229.283 1.815 20 0 BDADLO Nc1cccc(C[N@H+]2CCc3occc3C2)n1 ZINC001233372306 978587339 /nfs/dbraw/zinc/58/73/39/978587339.db2.gz IFLVGFXIDWSSFB-UHFFFAOYSA-N 1 2 229.283 1.815 20 0 BDADLO Nc1cccc(CN2CCc3occc3C2)[nH+]1 ZINC001233372306 978587344 /nfs/dbraw/zinc/58/73/44/978587344.db2.gz IFLVGFXIDWSSFB-UHFFFAOYSA-N 1 2 229.283 1.815 20 0 BDADLO C[C@H]1CC2(CN1c1cc(N)nc[nH+]1)CCOCC2 ZINC001338029603 978593309 /nfs/dbraw/zinc/59/33/09/978593309.db2.gz SFMARSSXFLKUAV-JTQLQIEISA-N 1 2 248.330 1.454 20 0 BDADLO Nc1cc(N[C@H]2CCCn3nccc32)[nH+]cn1 ZINC001338067236 978602375 /nfs/dbraw/zinc/60/23/75/978602375.db2.gz GYQVZTRILFFWFQ-QMMMGPOBSA-N 1 2 230.275 1.202 20 0 BDADLO CCC[C@@](C)(O)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178669038 978605114 /nfs/dbraw/zinc/60/51/14/978605114.db2.gz AWIKRNVMBBHCRQ-GFCCVEGCSA-N 1 2 239.319 1.139 20 0 BDADLO CCC[C@@](C)(O)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178669038 978605116 /nfs/dbraw/zinc/60/51/16/978605116.db2.gz AWIKRNVMBBHCRQ-GFCCVEGCSA-N 1 2 239.319 1.139 20 0 BDADLO CCc1nccnc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178691321 978607088 /nfs/dbraw/zinc/60/70/88/978607088.db2.gz NGXYTPMZTZLIPM-LLVKDONJSA-N 1 2 248.330 1.462 20 0 BDADLO CCc1nccnc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001178691321 978607096 /nfs/dbraw/zinc/60/70/96/978607096.db2.gz NGXYTPMZTZLIPM-LLVKDONJSA-N 1 2 248.330 1.462 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)c2nccn21 ZINC001178717713 978621339 /nfs/dbraw/zinc/62/13/39/978621339.db2.gz ZFCAYOBFSIDOEL-CABZTGNLSA-N 1 2 247.298 1.764 20 0 BDADLO C/C=C(/C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233560868 978626544 /nfs/dbraw/zinc/62/65/44/978626544.db2.gz NCPBLIXKLOITMI-NEOSZVFXSA-N 1 2 228.311 1.455 20 0 BDADLO C/C=C(/C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233560868 978626548 /nfs/dbraw/zinc/62/65/48/978626548.db2.gz NCPBLIXKLOITMI-NEOSZVFXSA-N 1 2 228.311 1.455 20 0 BDADLO C=Cn1cc(C[NH2+][C@H]2CCn3ccnc32)cn1 ZINC001178774266 978628373 /nfs/dbraw/zinc/62/83/73/978628373.db2.gz IOSQZZDMHROBOT-NSHDSACASA-N 1 2 229.287 1.415 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2F)cc(C)[nH+]1 ZINC001338198176 978631542 /nfs/dbraw/zinc/63/15/42/978631542.db2.gz GXFWAQYHUILIBT-MNOVXSKESA-N 1 2 222.263 1.673 20 0 BDADLO CCc1ncc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)cn1 ZINC001338264205 978645567 /nfs/dbraw/zinc/64/55/67/978645567.db2.gz NUILNYOMXTZJIA-QMMMGPOBSA-N 1 2 246.318 1.316 20 0 BDADLO CCC1(C(=O)NCCc2[nH+]ccn2C)CCC1 ZINC001179026887 978662436 /nfs/dbraw/zinc/66/24/36/978662436.db2.gz NTSUVUNUZVCBLO-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1cc(O[C@H]2CC[N@@H+](C)C2)cc2[nH]ncc21 ZINC001233738479 978684011 /nfs/dbraw/zinc/68/40/11/978684011.db2.gz LPAWUXMKSONXKD-JTQLQIEISA-N 1 2 231.299 1.954 20 0 BDADLO Cc1cc(O[C@H]2CC[N@H+](C)C2)cc2[nH]ncc21 ZINC001233738479 978684017 /nfs/dbraw/zinc/68/40/17/978684017.db2.gz LPAWUXMKSONXKD-JTQLQIEISA-N 1 2 231.299 1.954 20 0 BDADLO COCCc1ccc[nH+]c1N1CCOCC1 ZINC001249937668 978714540 /nfs/dbraw/zinc/71/45/40/978714540.db2.gz BFDHGUKFUPFKCY-UHFFFAOYSA-N 1 2 222.288 1.107 20 0 BDADLO CC[NH+]1CC(Oc2cccc3c2CC(=O)N3)C1 ZINC001234109199 978776945 /nfs/dbraw/zinc/77/69/45/978776945.db2.gz DGSPXNJIRBVRQM-UHFFFAOYSA-N 1 2 232.283 1.264 20 0 BDADLO OCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001206404224 978784419 /nfs/dbraw/zinc/78/44/19/978784419.db2.gz KHYHJESTZYPWCD-JTQLQIEISA-N 1 2 237.290 1.099 20 0 BDADLO OCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001206404224 978784425 /nfs/dbraw/zinc/78/44/25/978784425.db2.gz KHYHJESTZYPWCD-JTQLQIEISA-N 1 2 237.290 1.099 20 0 BDADLO [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(C(=O)[O-])cc1 ZINC001601185825 978789295 /nfs/dbraw/zinc/78/92/95/978789295.db2.gz RYYLHIVQCMSYPF-UHFFFAOYSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(C(=O)[O-])cc1 ZINC001601185825 978789298 /nfs/dbraw/zinc/78/92/98/978789298.db2.gz RYYLHIVQCMSYPF-UHFFFAOYSA-N 1 2 246.310 1.308 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCSC1 ZINC001339104125 978795250 /nfs/dbraw/zinc/79/52/50/978795250.db2.gz XVDOLKICRLSKFZ-SNVBAGLBSA-N 1 2 236.340 1.812 20 0 BDADLO CN(C)c1cc[nH+]c(CNc2nncs2)c1 ZINC001339481761 978858011 /nfs/dbraw/zinc/85/80/11/978858011.db2.gz GTEWYHHTQWARSV-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CCOC(=[NH2+])c1ccc(O[C@@H](C)CON)cc1 ZINC001234587439 978864934 /nfs/dbraw/zinc/86/49/34/978864934.db2.gz ABHFTZJMIMDPDG-VIFPVBQESA-N 1 2 238.287 1.706 20 0 BDADLO O=C([O-])CC1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001601945394 978871054 /nfs/dbraw/zinc/87/10/54/978871054.db2.gz SJOZZVCSYLOYJU-HSOILSAZSA-N 1 2 249.314 1.041 20 0 BDADLO CCn1ncnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001339573554 978874356 /nfs/dbraw/zinc/87/43/56/978874356.db2.gz AFAHOWKLFPUQQS-LLVKDONJSA-N 1 2 246.318 1.336 20 0 BDADLO Cc1nccn1CCCCNc1cc[nH+]c(N)n1 ZINC001339589563 978875953 /nfs/dbraw/zinc/87/59/53/978875953.db2.gz ONMPEOGMFCZENN-UHFFFAOYSA-N 1 2 246.318 1.456 20 0 BDADLO O=C([O-])CCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001601987429 978877214 /nfs/dbraw/zinc/87/72/14/978877214.db2.gz DDLQPAJQZVPSPM-WDEREUQCSA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001601987429 978877218 /nfs/dbraw/zinc/87/72/18/978877218.db2.gz DDLQPAJQZVPSPM-WDEREUQCSA-N 1 2 226.320 1.068 20 0 BDADLO Cc1cc(F)cc(NC[C@@H](C)S(C)(=O)=O)[nH+]1 ZINC001339626811 978883392 /nfs/dbraw/zinc/88/33/92/978883392.db2.gz GOXAJLRZLUKSRR-MRVPVSSYSA-N 1 2 246.307 1.374 20 0 BDADLO CCc1ccc(N2CC[C@@H](n3cncn3)C2)[nH+]c1 ZINC001339665214 978891328 /nfs/dbraw/zinc/89/13/28/978891328.db2.gz DOVIXVISAQAMNI-GFCCVEGCSA-N 1 2 243.314 1.687 20 0 BDADLO Cc1cc(F)cc(N2CCc3nccnc3C2)[nH+]1 ZINC001339773870 978909935 /nfs/dbraw/zinc/90/99/35/978909935.db2.gz MHXGHNFPVKBPIO-UHFFFAOYSA-N 1 2 244.273 1.882 20 0 BDADLO COc1ncc(F)cc1OC1C[NH+](C(C)C)C1 ZINC001234883028 978925426 /nfs/dbraw/zinc/92/54/26/978925426.db2.gz WBTITJZXCJKCMB-UHFFFAOYSA-N 1 2 240.278 1.701 20 0 BDADLO CC[NH+]1CC(Oc2ccnc3cc(F)cnc32)C1 ZINC001234887683 978925940 /nfs/dbraw/zinc/92/59/40/978925940.db2.gz DZLWYUNKXLCLKH-UHFFFAOYSA-N 1 2 247.273 1.852 20 0 BDADLO COCC1CC[NH+](Cc2ncc(F)cn2)CC1 ZINC001234999142 978944906 /nfs/dbraw/zinc/94/49/06/978944906.db2.gz ISSKGDSWVBKADC-UHFFFAOYSA-N 1 2 239.294 1.474 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)[C@H](C)CCO1 ZINC001339937852 978945130 /nfs/dbraw/zinc/94/51/30/978945130.db2.gz PBUSOHALCDDGTF-GHMZBOCLSA-N 1 2 246.314 1.733 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(F)cn2)CC[C@@H]1O ZINC001235004737 978947033 /nfs/dbraw/zinc/94/70/33/978947033.db2.gz LKNABNQGWGSUDO-ONGXEEELSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(F)cn2)CC[C@@H]1O ZINC001235004737 978947040 /nfs/dbraw/zinc/94/70/40/978947040.db2.gz LKNABNQGWGSUDO-ONGXEEELSA-N 1 2 239.294 1.209 20 0 BDADLO C[N@H+](Cc1ncc(F)cn1)CC1(C)COC1 ZINC001235010028 978952040 /nfs/dbraw/zinc/95/20/40/978952040.db2.gz CUUOVPOHMGTPFB-UHFFFAOYSA-N 1 2 225.267 1.084 20 0 BDADLO C[N@@H+](Cc1ncc(F)cn1)CC1(C)COC1 ZINC001235010028 978952045 /nfs/dbraw/zinc/95/20/45/978952045.db2.gz CUUOVPOHMGTPFB-UHFFFAOYSA-N 1 2 225.267 1.084 20 0 BDADLO Fc1cnc(C[NH+]2CC3CC(C3)C2)nc1 ZINC001235012952 978952766 /nfs/dbraw/zinc/95/27/66/978952766.db2.gz JXRFDULRBMNDRX-UHFFFAOYSA-N 1 2 207.252 1.458 20 0 BDADLO CCN(CCn1cc[nH+]c1)Cc1ncc(F)cn1 ZINC001235014039 978953100 /nfs/dbraw/zinc/95/31/00/978953100.db2.gz REJMZUAQAHHACH-UHFFFAOYSA-N 1 2 249.293 1.334 20 0 BDADLO Fc1cnc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)nc1 ZINC001235017086 978954784 /nfs/dbraw/zinc/95/47/84/978954784.db2.gz LHNZYPJHXGYXSF-ONGXEEELSA-N 1 2 237.278 1.227 20 0 BDADLO Fc1cnc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)nc1 ZINC001235017086 978954787 /nfs/dbraw/zinc/95/47/87/978954787.db2.gz LHNZYPJHXGYXSF-ONGXEEELSA-N 1 2 237.278 1.227 20 0 BDADLO O=C1CCC[C@H]2C[N@@H+](Cc3ncc(F)cn3)C[C@@H]12 ZINC001235023587 978956402 /nfs/dbraw/zinc/95/64/02/978956402.db2.gz QBFVHBRMUPZMJA-GXSJLCMTSA-N 1 2 249.289 1.417 20 0 BDADLO O=C1CCC[C@H]2C[N@H+](Cc3ncc(F)cn3)C[C@@H]12 ZINC001235023587 978956410 /nfs/dbraw/zinc/95/64/10/978956410.db2.gz QBFVHBRMUPZMJA-GXSJLCMTSA-N 1 2 249.289 1.417 20 0 BDADLO CCc1cccc(C[N@@H+]2CCOC[C@@H]2C)n1 ZINC001235252572 979005666 /nfs/dbraw/zinc/00/56/66/979005666.db2.gz FHZYNEXENYXLTO-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCc1cccc(C[N@H+]2CCOC[C@@H]2C)n1 ZINC001235252572 979005672 /nfs/dbraw/zinc/00/56/72/979005672.db2.gz FHZYNEXENYXLTO-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCC(CC)CNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181230911 979024371 /nfs/dbraw/zinc/02/43/71/979024371.db2.gz URDNUMYQSTVEGL-UHFFFAOYSA-N 1 2 235.331 1.759 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001235331464 979025505 /nfs/dbraw/zinc/02/55/05/979025505.db2.gz GEVHFUBHKKSCBT-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001235331464 979025511 /nfs/dbraw/zinc/02/55/11/979025511.db2.gz GEVHFUBHKKSCBT-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CCn3cncc3C2)c1 ZINC001235340367 979028985 /nfs/dbraw/zinc/02/89/85/979028985.db2.gz QKKMMQIRCWCFRB-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CCn3cncc3C2)c1 ZINC001235340367 979028992 /nfs/dbraw/zinc/02/89/92/979028992.db2.gz QKKMMQIRCWCFRB-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC3(CC3)C2)c1C ZINC001235475317 979053747 /nfs/dbraw/zinc/05/37/47/979053747.db2.gz SDNGRGJVSSINQJ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1cncc(C[N@H+]2CCOC3(CC3)C2)c1C ZINC001235475317 979053751 /nfs/dbraw/zinc/05/37/51/979053751.db2.gz SDNGRGJVSSINQJ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO CC/C=C\CC[N@@H+]1CCn2cnc(CO)c2C1 ZINC001235500590 979056869 /nfs/dbraw/zinc/05/68/69/979056869.db2.gz AIVUSUBRCBVLJQ-ARJAWSKDSA-N 1 2 235.331 1.547 20 0 BDADLO CC/C=C\CC[N@H+]1CCn2cnc(CO)c2C1 ZINC001235500590 979056876 /nfs/dbraw/zinc/05/68/76/979056876.db2.gz AIVUSUBRCBVLJQ-ARJAWSKDSA-N 1 2 235.331 1.547 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCc2cccnc2C1 ZINC001235547511 979090596 /nfs/dbraw/zinc/09/05/96/979090596.db2.gz HTCOYGGTBUCYBW-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCc2cccnc2C1 ZINC001235547511 979090603 /nfs/dbraw/zinc/09/06/03/979090603.db2.gz HTCOYGGTBUCYBW-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)Cc1ccncn1 ZINC001235819211 979157043 /nfs/dbraw/zinc/15/70/43/979157043.db2.gz OAPSSHMNYJPHQV-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)Cc1ccncn1 ZINC001235819211 979157053 /nfs/dbraw/zinc/15/70/53/979157053.db2.gz OAPSSHMNYJPHQV-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO CC[N@H+](Cc1ccc(F)nc1C)C1COC1 ZINC001235814946 979157075 /nfs/dbraw/zinc/15/70/75/979157075.db2.gz NSZZTKBLBYUPDA-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO CC[N@@H+](Cc1ccc(F)nc1C)C1COC1 ZINC001235814946 979157081 /nfs/dbraw/zinc/15/70/81/979157081.db2.gz NSZZTKBLBYUPDA-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO COC/C(C)=C/C[NH2+][C@H](C)c1nc(C)no1 ZINC001341058536 979212725 /nfs/dbraw/zinc/21/27/25/979212725.db2.gz BQXFKAJWAOAGNV-WHXYTISESA-N 1 2 225.292 1.621 20 0 BDADLO [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989187 979271198 /nfs/dbraw/zinc/27/11/98/979271198.db2.gz IGFXDGSVQKSZCZ-SMDDNHRTSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989187 979271215 /nfs/dbraw/zinc/27/12/15/979271215.db2.gz IGFXDGSVQKSZCZ-SMDDNHRTSA-N 1 2 246.310 1.308 20 0 BDADLO C[NH+]1CC(NC(=O)Cc2ccc3cc[nH]c3c2)C1 ZINC001181809842 979328444 /nfs/dbraw/zinc/32/84/44/979328444.db2.gz XIRPAYQGMVMFTQ-UHFFFAOYSA-N 1 2 243.310 1.141 20 0 BDADLO CCCOC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001203188660 979347516 /nfs/dbraw/zinc/34/75/16/979347516.db2.gz ZKBCNZIFXNJXGX-UHFFFAOYSA-N 1 2 235.327 1.790 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 ZINC001182290503 979490270 /nfs/dbraw/zinc/49/02/70/979490270.db2.gz ZTOILIYBRVEVGL-NEPJUHHUSA-N 1 2 248.301 1.359 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001603868437 979533758 /nfs/dbraw/zinc/53/37/58/979533758.db2.gz CFSBXGVCJGVXKA-QWRGUYRKSA-N 1 2 228.336 1.170 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c[nH]c(C(=O)[O-])c1 ZINC001604247393 979607555 /nfs/dbraw/zinc/60/75/55/979607555.db2.gz PUGGTMOWIOKCSY-SECBINFHSA-N 1 2 248.286 1.088 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001604332836 979620246 /nfs/dbraw/zinc/62/02/46/979620246.db2.gz MHADARXQZVASQX-LPEHRKFASA-N 1 2 228.336 1.025 20 0 BDADLO CCc1nccnc1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182829262 979654492 /nfs/dbraw/zinc/65/44/92/979654492.db2.gz YJEDVRHSUDOROI-NSHDSACASA-N 1 2 248.330 1.460 20 0 BDADLO CCc1nccnc1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182829262 979654504 /nfs/dbraw/zinc/65/45/04/979654504.db2.gz YJEDVRHSUDOROI-NSHDSACASA-N 1 2 248.330 1.460 20 0 BDADLO CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182851912 979668476 /nfs/dbraw/zinc/66/84/76/979668476.db2.gz MVXTUGCOPFAEMN-RYUDHWBXSA-N 1 2 238.331 1.049 20 0 BDADLO CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182851912 979668481 /nfs/dbraw/zinc/66/84/81/979668481.db2.gz MVXTUGCOPFAEMN-RYUDHWBXSA-N 1 2 238.331 1.049 20 0 BDADLO CCN(Cc1oc(C)nc1C)C1C[NH+](C)C1 ZINC001236598458 979673779 /nfs/dbraw/zinc/67/37/79/979673779.db2.gz YVHUTKAGCDBJDF-UHFFFAOYSA-N 1 2 223.320 1.427 20 0 BDADLO CC[N@H+](Cc1oc(C)nc1C)C1CN(C)C1 ZINC001236598458 979673785 /nfs/dbraw/zinc/67/37/85/979673785.db2.gz YVHUTKAGCDBJDF-UHFFFAOYSA-N 1 2 223.320 1.427 20 0 BDADLO CC[N@@H+](Cc1oc(C)nc1C)C1CN(C)C1 ZINC001236598458 979673792 /nfs/dbraw/zinc/67/37/92/979673792.db2.gz YVHUTKAGCDBJDF-UHFFFAOYSA-N 1 2 223.320 1.427 20 0 BDADLO CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC001604553796 979675806 /nfs/dbraw/zinc/67/58/06/979675806.db2.gz CLRJJWSFVHMVQV-GFCCVEGCSA-N 1 2 248.326 1.615 20 0 BDADLO C[C@@]1(CO)CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614104 979680702 /nfs/dbraw/zinc/68/07/02/979680702.db2.gz OEDWWCAGTJZPRS-LLVKDONJSA-N 1 2 241.722 1.334 20 0 BDADLO C[C@@]1(CO)CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614104 979680709 /nfs/dbraw/zinc/68/07/09/979680709.db2.gz OEDWWCAGTJZPRS-LLVKDONJSA-N 1 2 241.722 1.334 20 0 BDADLO CC[C@](C)(CC(=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC001604902719 979760325 /nfs/dbraw/zinc/76/03/25/979760325.db2.gz BCDQZQCPTJPBGM-GFCCVEGCSA-N 1 2 239.319 1.506 20 0 BDADLO COC1C[NH+](Cc2cccc(-n3cncn3)c2)C1 ZINC001236887662 979780302 /nfs/dbraw/zinc/78/03/02/979780302.db2.gz WEFSMVPSACXRRZ-UHFFFAOYSA-N 1 2 244.298 1.098 20 0 BDADLO O=S1CC2(C[NH+](CC3OC=CC3=S)C2)C1 ZINC001237183258 979834129 /nfs/dbraw/zinc/83/41/29/979834129.db2.gz YYLHJVOQLNOOSD-UHFFFAOYSA-N 1 2 243.353 1.133 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001237186853 979835575 /nfs/dbraw/zinc/83/55/75/979835575.db2.gz UCUCGSGMLIKKCC-SFYZADRCSA-N 1 2 211.286 1.541 20 0 BDADLO S=C1C=COC1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001237186853 979835580 /nfs/dbraw/zinc/83/55/80/979835580.db2.gz UCUCGSGMLIKKCC-SFYZADRCSA-N 1 2 211.286 1.541 20 0 BDADLO N#CN1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237186634 979837411 /nfs/dbraw/zinc/83/74/11/979837411.db2.gz MKLJVJNKQGOSOQ-UHFFFAOYSA-N 1 2 223.301 1.167 20 0 BDADLO C[N@H+](Cc1cc(O)cc(F)c1)C1(C)COC1 ZINC001237280033 979861347 /nfs/dbraw/zinc/86/13/47/979861347.db2.gz CCRYQKAZGKTBFK-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO C[N@@H+](Cc1cc(O)cc(F)c1)C1(C)COC1 ZINC001237280033 979861350 /nfs/dbraw/zinc/86/13/50/979861350.db2.gz CCRYQKAZGKTBFK-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO CC[C@H](F)C(=O)OCc1c[nH+]cn1C ZINC001342724130 979879136 /nfs/dbraw/zinc/87/91/36/979879136.db2.gz CNDUIZMAZQXLDQ-QMMMGPOBSA-N 1 2 200.213 1.211 20 0 BDADLO Cc1cnc(C(=O)OCc2c[nH+]cn2C)cc1C ZINC001342805124 979900296 /nfs/dbraw/zinc/90/02/96/979900296.db2.gz QDFISJRORAVJBQ-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc2ccccn2n1 ZINC001237452971 979900880 /nfs/dbraw/zinc/90/08/80/979900880.db2.gz IAJPNBOMESBXDH-CYBMUJFWSA-N 1 2 231.299 1.555 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc2ccccn2n1 ZINC001237452971 979900888 /nfs/dbraw/zinc/90/08/88/979900888.db2.gz IAJPNBOMESBXDH-CYBMUJFWSA-N 1 2 231.299 1.555 20 0 BDADLO Nc1ccc(CCC(=O)N[C@H]2CC=CCC2)c[nH+]1 ZINC001183939078 979904867 /nfs/dbraw/zinc/90/48/67/979904867.db2.gz GYNFPNBAVRJEIV-LBPRGKRZSA-N 1 2 245.326 1.821 20 0 BDADLO Nc1ccc(CCC(=O)N[C@@H]2CC=CCC2)c[nH+]1 ZINC001183939077 979907050 /nfs/dbraw/zinc/90/70/50/979907050.db2.gz GYNFPNBAVRJEIV-GFCCVEGCSA-N 1 2 245.326 1.821 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)C[C@H]1C ZINC001237588315 979951893 /nfs/dbraw/zinc/95/18/93/979951893.db2.gz PVHGJHUHFHWYFU-SNVBAGLBSA-N 1 2 221.304 1.456 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1C(C)(C)C1(C)C ZINC000073102556 979955409 /nfs/dbraw/zinc/95/54/09/979955409.db2.gz ZWHVGPXUNGKQOQ-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC001237639365 979988190 /nfs/dbraw/zinc/98/81/90/979988190.db2.gz KYJIVSOENCYTQC-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC001237639365 979988195 /nfs/dbraw/zinc/98/81/95/979988195.db2.gz KYJIVSOENCYTQC-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001606295037 979993318 /nfs/dbraw/zinc/99/33/18/979993318.db2.gz MAVGSRATTMHEOE-SFYZADRCSA-N 1 2 242.344 1.705 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001237652538 980009505 /nfs/dbraw/zinc/00/95/05/980009505.db2.gz WEZRWGAWGJCXTJ-PHIMTYICSA-N 1 2 221.304 1.335 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001237652538 980009510 /nfs/dbraw/zinc/00/95/10/980009510.db2.gz WEZRWGAWGJCXTJ-PHIMTYICSA-N 1 2 221.304 1.335 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC001237652307 980016100 /nfs/dbraw/zinc/01/61/00/980016100.db2.gz REOBCOZGWHYEDF-JTQLQIEISA-N 1 2 223.320 1.440 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCOC[C@@H](C)C1 ZINC001237652307 980016104 /nfs/dbraw/zinc/01/61/04/980016104.db2.gz REOBCOZGWHYEDF-JTQLQIEISA-N 1 2 223.320 1.440 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237660150 980023614 /nfs/dbraw/zinc/02/36/14/980023614.db2.gz UMSUHOLQGYDZSL-ZDUSSCGKSA-N 1 2 235.331 1.727 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001237660150 980023621 /nfs/dbraw/zinc/02/36/21/980023621.db2.gz UMSUHOLQGYDZSL-ZDUSSCGKSA-N 1 2 235.331 1.727 20 0 BDADLO CCOC[C@@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC001343222193 980044581 /nfs/dbraw/zinc/04/45/81/980044581.db2.gz DWKUNXNVPIEXMJ-ZCFIWIBFSA-N 1 2 235.234 1.522 20 0 BDADLO Cc1cnc(C[NH+]2CC3(C2)CCOCC3)nc1 ZINC001237806172 980057064 /nfs/dbraw/zinc/05/70/64/980057064.db2.gz HOZJEWBNWPQUAE-UHFFFAOYSA-N 1 2 233.315 1.397 20 0 BDADLO Cc1ccc(C)c(C(=O)NCCn2cc[nH+]c2)n1 ZINC001184570163 980105009 /nfs/dbraw/zinc/10/50/09/980105009.db2.gz ZGYJWZLICKVGBR-UHFFFAOYSA-N 1 2 244.298 1.325 20 0 BDADLO CC[N@@H+](Cc1cc(C)[nH]n1)C[C@@H](C)OC ZINC001343636135 980174271 /nfs/dbraw/zinc/17/42/71/980174271.db2.gz USNFITSMRCOPMK-SNVBAGLBSA-N 1 2 211.309 1.575 20 0 BDADLO CC[N@H+](Cc1cc(C)[nH]n1)C[C@@H](C)OC ZINC001343636135 980174280 /nfs/dbraw/zinc/17/42/80/980174280.db2.gz USNFITSMRCOPMK-SNVBAGLBSA-N 1 2 211.309 1.575 20 0 BDADLO Cn1nncc1C[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001238154586 980178440 /nfs/dbraw/zinc/17/84/40/980178440.db2.gz GWDQOHJIVBBJLB-LLVKDONJSA-N 1 2 226.299 1.529 20 0 BDADLO Cn1nncc1C[N@H+]1CCCC[C@@](C)(F)C1 ZINC001238154586 980178446 /nfs/dbraw/zinc/17/84/46/980178446.db2.gz GWDQOHJIVBBJLB-LLVKDONJSA-N 1 2 226.299 1.529 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001185171962 980185771 /nfs/dbraw/zinc/18/57/71/980185771.db2.gz AGUWKIKATOLQKM-SECBINFHSA-N 1 2 210.321 1.243 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001238159875 980189269 /nfs/dbraw/zinc/18/92/69/980189269.db2.gz UWLRUYZOKQPAFP-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001238159875 980189275 /nfs/dbraw/zinc/18/92/75/980189275.db2.gz UWLRUYZOKQPAFP-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001238165177 980197343 /nfs/dbraw/zinc/19/73/43/980197343.db2.gz RZMUOGHIZZTZOB-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1ncncc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001238165177 980197347 /nfs/dbraw/zinc/19/73/47/980197347.db2.gz RZMUOGHIZZTZOB-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(C2CC2)c1 ZINC001238185929 980220287 /nfs/dbraw/zinc/22/02/87/980220287.db2.gz GXRGPYGQXKRTLZ-ZDUSSCGKSA-N 1 2 245.326 1.409 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(C2CC2)c1 ZINC001238185929 980220295 /nfs/dbraw/zinc/22/02/95/980220295.db2.gz GXRGPYGQXKRTLZ-ZDUSSCGKSA-N 1 2 245.326 1.409 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1c(F)ccnc1Cl ZINC001238225787 980231080 /nfs/dbraw/zinc/23/10/80/980231080.db2.gz UTWSSEYSXDLJBQ-QMMMGPOBSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1c(F)ccnc1Cl ZINC001238225787 980231089 /nfs/dbraw/zinc/23/10/89/980231089.db2.gz UTWSSEYSXDLJBQ-QMMMGPOBSA-N 1 2 244.697 1.831 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H]2C)cnc1F ZINC001238450671 980269793 /nfs/dbraw/zinc/26/97/93/980269793.db2.gz GJYKYZGFOFXDHW-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H]2C)cnc1F ZINC001238450671 980269805 /nfs/dbraw/zinc/26/98/05/980269805.db2.gz GJYKYZGFOFXDHW-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cnc(C[NH+](C)C)c(Cl)c1 ZINC001238483009 980275336 /nfs/dbraw/zinc/27/53/36/980275336.db2.gz QDBYUCBKTAWXKX-UHFFFAOYSA-N 1 2 200.669 1.805 20 0 BDADLO COCC[N@H+](C)Cc1ncc(OC)cc1Cl ZINC001238483510 980277946 /nfs/dbraw/zinc/27/79/46/980277946.db2.gz UOKXVTBPXBVPNL-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO COCC[N@@H+](C)Cc1ncc(OC)cc1Cl ZINC001238483510 980277953 /nfs/dbraw/zinc/27/79/53/980277953.db2.gz UOKXVTBPXBVPNL-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1scnc1C1CC1 ZINC001343989484 980308818 /nfs/dbraw/zinc/30/88/18/980308818.db2.gz IKISCRYGDUHMSL-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO CCN(CC(C)(C)O)c1cc(N)cc(Cl)[nH+]1 ZINC000154654240 980340599 /nfs/dbraw/zinc/34/05/99/980340599.db2.gz ULIIVHTUVQAMIP-UHFFFAOYSA-N 1 2 243.738 1.914 20 0 BDADLO Cc1cnc(NCc2ccc[nH+]c2N)nc1 ZINC001186479742 980375781 /nfs/dbraw/zinc/37/57/81/980375781.db2.gz TZTQSKILAPWBSC-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1(C(=O)[O-])CCC1 ZINC001595289103 980376096 /nfs/dbraw/zinc/37/60/96/980376096.db2.gz FKBXQOMAJVIMOM-WDEREUQCSA-N 1 2 242.363 1.560 20 0 BDADLO O=C(NCC1CC1)Nc1cccc2[nH+]ccn21 ZINC001186575348 980405387 /nfs/dbraw/zinc/40/53/87/980405387.db2.gz UCJOCCDTTIPULR-UHFFFAOYSA-N 1 2 230.271 1.866 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)CCC(F)F ZINC001345060914 980537247 /nfs/dbraw/zinc/53/72/47/980537247.db2.gz VFPCWZZQFDHHJI-UHFFFAOYSA-N 1 2 246.257 1.941 20 0 BDADLO Cc1[nH+]cn(C)c1NS(=O)(=O)C1CCC1 ZINC001188108597 980595365 /nfs/dbraw/zinc/59/53/65/980595365.db2.gz GIJAKCFRXKNENB-UHFFFAOYSA-N 1 2 229.305 1.023 20 0 BDADLO Cc1coc(C(=O)NCCCn2cc[nH+]c2)c1C ZINC001345353793 980600949 /nfs/dbraw/zinc/60/09/49/980600949.db2.gz BNAWXCILNBNBSN-UHFFFAOYSA-N 1 2 247.298 1.913 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCc2ccco2)c1 ZINC001188176865 980611809 /nfs/dbraw/zinc/61/18/09/980611809.db2.gz AGRPGZQQDPPMOD-UHFFFAOYSA-N 1 2 248.286 1.055 20 0 BDADLO CCCCCNC(=O)CCc1[nH+]ccn1C ZINC001345477972 980618696 /nfs/dbraw/zinc/61/86/96/980618696.db2.gz DZQRIXMUCJBHKK-UHFFFAOYSA-N 1 2 223.320 1.659 20 0 BDADLO CCN(C(=O)c1cnccc1C)C1C[NH+](C)C1 ZINC001188230702 980630337 /nfs/dbraw/zinc/63/03/37/980630337.db2.gz HEPBLMLILDWBRI-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H](C)SC ZINC001345589847 980637607 /nfs/dbraw/zinc/63/76/07/980637607.db2.gz KWZPGAZOAKYJSO-MRVPVSSYSA-N 1 2 228.317 1.698 20 0 BDADLO CC(C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001345587926 980638047 /nfs/dbraw/zinc/63/80/47/980638047.db2.gz MFXJQNGJTWMFNA-UHFFFAOYSA-N 1 2 209.293 1.220 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1=COCCC1 ZINC001345592919 980639852 /nfs/dbraw/zinc/63/98/52/980639852.db2.gz ZXZOCEKWFSQIRC-UHFFFAOYSA-N 1 2 236.271 1.641 20 0 BDADLO Oc1cccc(F)c1CCn1cc[nH+]c1 ZINC001250320467 980761428 /nfs/dbraw/zinc/76/14/28/980761428.db2.gz MHDDDHPEKUIMHU-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO COc1ncc(CCn2cc[nH+]c2)cc1O ZINC001250321142 980763313 /nfs/dbraw/zinc/76/33/13/980763313.db2.gz WZRMJRSLRZFQKY-UHFFFAOYSA-N 1 2 219.244 1.235 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001346279930 980802197 /nfs/dbraw/zinc/80/21/97/980802197.db2.gz PPVSXJQAVBVXSU-UWVGGRQHSA-N 1 2 221.304 1.125 20 0 BDADLO CCc1cc(C(=O)NCCc2[nH]cc(C)[nH+]2)no1 ZINC001190007448 980836662 /nfs/dbraw/zinc/83/66/62/980836662.db2.gz FVZJBDPKHBHMLD-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO CCc1cn(CC(=O)[C@H]2CCCOC2)c[nH+]1 ZINC001190103134 980845115 /nfs/dbraw/zinc/84/51/15/980845115.db2.gz IQVLKFOMKOHDDG-JTQLQIEISA-N 1 2 222.288 1.441 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001346517830 980855169 /nfs/dbraw/zinc/85/51/69/980855169.db2.gz GSKUUMTUDOQMGZ-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001346592733 980868087 /nfs/dbraw/zinc/86/80/87/980868087.db2.gz XNPHJQSFKLZYSX-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CCC1(NC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001346614903 980871529 /nfs/dbraw/zinc/87/15/29/980871529.db2.gz VZBORBNCHICBIK-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001346823090 980916115 /nfs/dbraw/zinc/91/61/15/980916115.db2.gz MWJQISBNPKLZQQ-NEPJUHHUSA-N 1 2 234.299 1.566 20 0 BDADLO CN(C)c1ncccc1C[N@H+](C)Cc1cn[nH]c1 ZINC001347141744 980988644 /nfs/dbraw/zinc/98/86/44/980988644.db2.gz ZGRAVUGCIZYOIJ-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CN(C)c1ncccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC001347141744 980988649 /nfs/dbraw/zinc/98/86/49/980988649.db2.gz ZGRAVUGCIZYOIJ-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO Cc1cc(N2CC(O)C2)nc(C(C)(C)C)[nH+]1 ZINC000077963352 980993032 /nfs/dbraw/zinc/99/30/32/980993032.db2.gz UQTCTWKSETWWOA-UHFFFAOYSA-N 1 2 221.304 1.263 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cccc(C(N)=O)c1 ZINC001239884413 981018705 /nfs/dbraw/zinc/01/87/05/981018705.db2.gz SQDZARWAXXBBFB-DDEWIXKASA-N 1 2 202.257 1.661 20 0 BDADLO Cc1nc(CNC(=O)CCc2[nH]cc[nH+]2)oc1C ZINC001347241269 981020836 /nfs/dbraw/zinc/02/08/36/981020836.db2.gz HNZHKWPAKKZZQX-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C=CCCC1 ZINC000157842231 981031303 /nfs/dbraw/zinc/03/13/03/981031303.db2.gz YZSCTXSXNKXCMN-GFCCVEGCSA-N 1 2 233.315 1.888 20 0 BDADLO CN(C)c1ccc(Cc2ccnn2C)c[nH+]1 ZINC001250437724 981090331 /nfs/dbraw/zinc/09/03/31/981090331.db2.gz SSRZUXUEXSWXRF-UHFFFAOYSA-N 1 2 216.288 1.472 20 0 BDADLO NC(=O)c1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240214785 981165104 /nfs/dbraw/zinc/16/51/04/981165104.db2.gz PNLZQNAJCGMSAC-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO Nc1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219171 981169113 /nfs/dbraw/zinc/16/91/13/981169113.db2.gz CXMANJGCVMFYOR-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Cc1nc(NCCc2ccccc2O)nc(N)[nH+]1 ZINC001347944410 981224128 /nfs/dbraw/zinc/22/41/28/981224128.db2.gz GWWMHJDXBMVCMH-UHFFFAOYSA-N 1 2 245.286 1.122 20 0 BDADLO Cc1nc(N)nc(NCCc2ccccc2O)[nH+]1 ZINC001347944410 981224134 /nfs/dbraw/zinc/22/41/34/981224134.db2.gz GWWMHJDXBMVCMH-UHFFFAOYSA-N 1 2 245.286 1.122 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccsn1 ZINC001347974081 981231710 /nfs/dbraw/zinc/23/17/10/981231710.db2.gz ZARIONYBYVZPPV-UHFFFAOYSA-N 1 2 237.284 1.717 20 0 BDADLO CC(C)(C)OC(=O)CCNc1cc(N)nc[nH+]1 ZINC001348010723 981243772 /nfs/dbraw/zinc/24/37/72/981243772.db2.gz ZCYRRXWOZAQJRY-UHFFFAOYSA-N 1 2 238.291 1.203 20 0 BDADLO Cc1cc(-c2ccc(=O)n(C)c2)c[nH+]c1N ZINC001240332287 981300317 /nfs/dbraw/zinc/30/03/17/981300317.db2.gz PDBNRZFMEFHIBP-UHFFFAOYSA-N 1 2 215.256 1.338 20 0 BDADLO CC[C@H](CO)N(C)c1cc(F)cc(C)[nH+]1 ZINC001348194098 981306955 /nfs/dbraw/zinc/30/69/55/981306955.db2.gz COVJNFVOXCVBJO-SNVBAGLBSA-N 1 2 212.268 1.736 20 0 BDADLO COCCOC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001193446184 981320524 /nfs/dbraw/zinc/32/05/24/981320524.db2.gz LTUNFUMPVAVUDV-UHFFFAOYSA-N 1 2 249.270 1.207 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCC[C@H]1CCOC1 ZINC001348574684 981397965 /nfs/dbraw/zinc/39/79/65/981397965.db2.gz UAVLYITUZGZSOH-LLVKDONJSA-N 1 2 249.314 1.549 20 0 BDADLO C[C@H](O)CNc1cc(NCCC(F)F)[nH+]cn1 ZINC001348576013 981399659 /nfs/dbraw/zinc/39/96/59/981399659.db2.gz CVKLKZVIJUIHEQ-ZETCQYMHSA-N 1 2 246.261 1.336 20 0 BDADLO C[C@H](O)CNc1cc(NCCC(F)F)nc[nH+]1 ZINC001348576013 981399663 /nfs/dbraw/zinc/39/96/63/981399663.db2.gz CVKLKZVIJUIHEQ-ZETCQYMHSA-N 1 2 246.261 1.336 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C(F)F)CC1 ZINC001348611311 981407931 /nfs/dbraw/zinc/40/79/31/981407931.db2.gz FOTWSPKIZTUSLX-UHFFFAOYSA-N 1 2 243.257 1.267 20 0 BDADLO CN(C)c1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240496995 981417950 /nfs/dbraw/zinc/41/79/50/981417950.db2.gz ROFGHHFMMZSSRT-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CN(C)c1nccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497121 981418139 /nfs/dbraw/zinc/41/81/39/981418139.db2.gz YTMTZMPKGWBMHC-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO NC(=O)c1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240508587 981434951 /nfs/dbraw/zinc/43/49/51/981434951.db2.gz DPBGAAOMCLHPMD-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO c1cn2ccc(-c3cncn4cnnc34)cc2[nH+]1 ZINC001240513108 981439907 /nfs/dbraw/zinc/43/99/07/981439907.db2.gz HBXJCPJFFLCOHG-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001348845728 981456264 /nfs/dbraw/zinc/45/62/64/981456264.db2.gz HWTWMKKOTOYINT-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CC(C)(C)C1 ZINC001348879634 981466269 /nfs/dbraw/zinc/46/62/69/981466269.db2.gz MFWBOEVADUQQQK-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO COC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001193872799 981488629 /nfs/dbraw/zinc/48/86/29/981488629.db2.gz RXOSZMPCACOQEW-UHFFFAOYSA-N 1 2 205.217 1.821 20 0 BDADLO CC(C)(COC(=O)CCF)n1cc[nH+]c1 ZINC001349025606 981499093 /nfs/dbraw/zinc/49/90/93/981499093.db2.gz ZABOUOQDBDDZRQ-UHFFFAOYSA-N 1 2 214.240 1.521 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2cccc(F)c2)C1 ZINC001203784027 981508262 /nfs/dbraw/zinc/50/82/62/981508262.db2.gz AFROLYMHYVIEBG-YPMHNXCESA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2cccc(F)c2)C1 ZINC001203784027 981508265 /nfs/dbraw/zinc/50/82/65/981508265.db2.gz AFROLYMHYVIEBG-YPMHNXCESA-N 1 2 241.281 1.978 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnn([C@@H]2CCOC2)c1 ZINC001240637556 981530183 /nfs/dbraw/zinc/53/01/83/981530183.db2.gz SOIJGSCCHAUSJB-FHZCLPHMSA-N 1 2 219.288 1.720 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2F)c(C)c[nH+]1 ZINC001349480526 981562196 /nfs/dbraw/zinc/56/21/96/981562196.db2.gz BEZSMYCXOWWQHL-BDAKNGLRSA-N 1 2 208.236 1.417 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)c2ccco2)co1 ZINC001349519439 981569475 /nfs/dbraw/zinc/56/94/75/981569475.db2.gz AUSHEZPPYUYPCN-UHFFFAOYSA-N 1 2 249.270 1.259 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001194169250 981586840 /nfs/dbraw/zinc/58/68/40/981586840.db2.gz YLSSSKYAELELJC-UHFFFAOYSA-N 1 2 230.311 1.608 20 0 BDADLO CC1(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001349598129 981590036 /nfs/dbraw/zinc/59/00/36/981590036.db2.gz JRXKNKGDCYYILF-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO Oc1ccc(F)cc1-c1ncc2c(n1)CC[NH2+]C2 ZINC001240693366 981599770 /nfs/dbraw/zinc/59/97/70/981599770.db2.gz PHBPKOWHBIAAMS-UHFFFAOYSA-N 1 2 245.257 1.634 20 0 BDADLO O=C(NCCC(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC001349790070 981737319 /nfs/dbraw/zinc/73/73/19/981737319.db2.gz JZBASJQDWDQLOE-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CCCO1 ZINC001349790995 981740366 /nfs/dbraw/zinc/74/03/66/981740366.db2.gz CPUQJJTXKDIFGW-LLVKDONJSA-N 1 2 234.299 1.628 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccnn1C ZINC001349793428 981743675 /nfs/dbraw/zinc/74/36/75/981743675.db2.gz YYQWSKCSXHYOAU-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO C[C@H](C(=O)N1Cc2ccncc2C1)n1cc[nH+]c1 ZINC001349822836 981766160 /nfs/dbraw/zinc/76/61/60/981766160.db2.gz DHGOZELSQAJDOU-SNVBAGLBSA-N 1 2 242.282 1.382 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)[C@@H]2C)o1 ZINC001194385242 981792243 /nfs/dbraw/zinc/79/22/43/981792243.db2.gz QCPDAIIFTMBLEJ-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)[C@@H]2C)o1 ZINC001194385242 981792246 /nfs/dbraw/zinc/79/22/46/981792246.db2.gz QCPDAIIFTMBLEJ-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC001194386575 981793422 /nfs/dbraw/zinc/79/34/22/981793422.db2.gz ZQBUJHHEWDZNTP-CBAPKCEASA-N 1 2 229.711 1.029 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC001194386575 981793431 /nfs/dbraw/zinc/79/34/31/981793431.db2.gz ZQBUJHHEWDZNTP-CBAPKCEASA-N 1 2 229.711 1.029 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1=CCCCC1 ZINC001349899638 981808216 /nfs/dbraw/zinc/80/82/16/981808216.db2.gz GENSSKHPFVRAAI-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO Cc1cnc(N(C)CCCn2cc[nH+]c2)o1 ZINC001349994624 981840380 /nfs/dbraw/zinc/84/03/80/981840380.db2.gz LHQCOIMWYWDMQN-UHFFFAOYSA-N 1 2 220.276 1.706 20 0 BDADLO Cc1ccc(C[NH+]2CC(N(C)C3COC3)C2)o1 ZINC001203297548 981902666 /nfs/dbraw/zinc/90/26/66/981902666.db2.gz JVVCBVRPBUYJTB-UHFFFAOYSA-N 1 2 236.315 1.103 20 0 BDADLO Cc1cc(CNC(=O)c2ccncn2)cc(C)[nH+]1 ZINC001585398383 981922350 /nfs/dbraw/zinc/92/23/50/981922350.db2.gz HEWGCSLXZYBMGL-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO CCn1c[nH+]cc1COC(=O)/C=C/SC ZINC001350333495 981930888 /nfs/dbraw/zinc/93/08/88/981930888.db2.gz JARDEBOGLHQGDP-SNAWJCMRSA-N 1 2 226.301 1.823 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C=C(C)C ZINC001350334273 981931292 /nfs/dbraw/zinc/93/12/92/981931292.db2.gz NHESBSFPBDUIRD-UHFFFAOYSA-N 1 2 208.261 1.912 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@]23CCOC3)on1 ZINC001350381342 981953746 /nfs/dbraw/zinc/95/37/46/981953746.db2.gz NZCPSPVXKWNMIV-LLVKDONJSA-N 1 2 224.260 1.048 20 0 BDADLO COc1cc(C[N@H+]2CC[C@]23CCOC3)on1 ZINC001350381342 981953758 /nfs/dbraw/zinc/95/37/58/981953758.db2.gz NZCPSPVXKWNMIV-LLVKDONJSA-N 1 2 224.260 1.048 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)OCCF ZINC001194929471 981970209 /nfs/dbraw/zinc/97/02/09/981970209.db2.gz JODQOAIATUTCBW-UHFFFAOYSA-N 1 2 223.207 1.852 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)c1ccoc1)CC2 ZINC001586737487 982015456 /nfs/dbraw/zinc/01/54/56/982015456.db2.gz HSPGCGJSMLLXPY-UHFFFAOYSA-N 1 2 243.266 1.455 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1OC ZINC001587124313 982049836 /nfs/dbraw/zinc/04/98/36/982049836.db2.gz RHJJNKSDKXIEAG-LLVKDONJSA-N 1 2 234.299 1.728 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccccc1OC ZINC001587124313 982049846 /nfs/dbraw/zinc/04/98/46/982049846.db2.gz RHJJNKSDKXIEAG-LLVKDONJSA-N 1 2 234.299 1.728 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001350769018 982072349 /nfs/dbraw/zinc/07/23/49/982072349.db2.gz RLYGGSLECWKHAU-QWRGUYRKSA-N 1 2 249.314 1.414 20 0 BDADLO CC[C@H](C)OC(=O)N1CC[NH+](CCOC)CC1 ZINC001195087738 982072984 /nfs/dbraw/zinc/07/29/84/982072984.db2.gz ITKPREFTGVNVTO-NSHDSACASA-N 1 2 244.335 1.186 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC(F)(F)C1 ZINC001587974109 982103838 /nfs/dbraw/zinc/10/38/38/982103838.db2.gz HODAWSZBYUDANJ-MRVPVSSYSA-N 1 2 243.257 1.565 20 0 BDADLO CC[C@H](C)OC(=O)NCCc1cn(C)c[nH+]1 ZINC001195130638 982106252 /nfs/dbraw/zinc/10/62/52/982106252.db2.gz GJNFNAGKHWUTQR-VIFPVBQESA-N 1 2 225.292 1.487 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC001351194937 982233812 /nfs/dbraw/zinc/23/38/12/982233812.db2.gz IBQLQLPPUDYFSM-NSHDSACASA-N 1 2 236.315 1.755 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC001351194937 982233816 /nfs/dbraw/zinc/23/38/16/982233816.db2.gz IBQLQLPPUDYFSM-NSHDSACASA-N 1 2 236.315 1.755 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC001351194936 982234929 /nfs/dbraw/zinc/23/49/29/982234929.db2.gz IBQLQLPPUDYFSM-LLVKDONJSA-N 1 2 236.315 1.755 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC001351194936 982234947 /nfs/dbraw/zinc/23/49/47/982234947.db2.gz IBQLQLPPUDYFSM-LLVKDONJSA-N 1 2 236.315 1.755 20 0 BDADLO CCNC(=S)NCc1c[nH+]cn1CC1CC1 ZINC001195375276 982245963 /nfs/dbraw/zinc/24/59/63/982245963.db2.gz SYVSQYWLUMNXBH-UHFFFAOYSA-N 1 2 238.360 1.277 20 0 BDADLO Nc1cc(-c2ccc3c(c2)CNC(=O)C3)cc[nH+]1 ZINC001241163274 982302641 /nfs/dbraw/zinc/30/26/41/982302641.db2.gz SLCYFDKWDAOLEP-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO NC(=O)Nc1ccccc1-c1cc[nH+]c(N)c1 ZINC001241163586 982306593 /nfs/dbraw/zinc/30/65/93/982306593.db2.gz WMFIDQJKOFSQHU-UHFFFAOYSA-N 1 2 228.255 1.821 20 0 BDADLO NC(=O)c1c(F)cc(-c2cc[nH+]c(N)c2)cc1F ZINC001241176247 982327243 /nfs/dbraw/zinc/32/72/43/982327243.db2.gz WULZETFFEDSZNX-UHFFFAOYSA-N 1 2 249.220 1.708 20 0 BDADLO Cc1coc(C(=O)Nc2cc[nH+]c3c2CCC3)n1 ZINC001195751290 982353346 /nfs/dbraw/zinc/35/33/46/982353346.db2.gz FKRVPMHLJOOLFP-UHFFFAOYSA-N 1 2 243.266 1.541 20 0 BDADLO COc1cnnc(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001241228122 982376803 /nfs/dbraw/zinc/37/68/03/982376803.db2.gz GIOMVWZZVCWLPA-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnnnc1 ZINC001241248559 982388324 /nfs/dbraw/zinc/38/83/24/982388324.db2.gz QFJFUSSTHDQRSQ-UHFFFAOYSA-N 1 2 215.260 1.308 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnn(C)c(=O)c1 ZINC001241244020 982388733 /nfs/dbraw/zinc/38/87/33/982388733.db2.gz SGSRMJYYGACRMC-UHFFFAOYSA-N 1 2 244.298 1.217 20 0 BDADLO CC(C)=CCCNC(=O)CCc1[nH+]ccn1C ZINC001352004862 982433000 /nfs/dbraw/zinc/43/30/00/982433000.db2.gz MMYZEDRKPPYGJL-UHFFFAOYSA-N 1 2 235.331 1.825 20 0 BDADLO Cn1c[nH+]cc1-c1ccc([S@](C)=O)cc1 ZINC001241478672 982637148 /nfs/dbraw/zinc/63/71/48/982637148.db2.gz DDEZDCUYSFRGSE-HNNXBMFYSA-N 1 2 220.297 1.825 20 0 BDADLO Cc1ccc(NC(=S)NC2C[NH+](C)C2)c(C)c1 ZINC001198006101 982640698 /nfs/dbraw/zinc/64/06/98/982640698.db2.gz MBSQQITUTVGZMM-UHFFFAOYSA-N 1 2 249.383 1.904 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccccc1 ZINC001203314922 982669699 /nfs/dbraw/zinc/66/96/99/982669699.db2.gz PLYICBHJTULYOV-SNVBAGLBSA-N 1 2 204.273 1.007 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccccc1 ZINC001203314922 982669704 /nfs/dbraw/zinc/66/97/04/982669704.db2.gz PLYICBHJTULYOV-SNVBAGLBSA-N 1 2 204.273 1.007 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CCC=C(Cl)C1 ZINC001300187179 982677865 /nfs/dbraw/zinc/67/78/65/982677865.db2.gz GKVNHLYBDTXZQY-JTQLQIEISA-N 1 2 228.723 1.436 20 0 BDADLO Cn1ccc2cccc(C(=O)NC3C[NH+](C)C3)c21 ZINC001199028079 982884572 /nfs/dbraw/zinc/88/45/72/982884572.db2.gz HUZXGBOUXTZWHY-UHFFFAOYSA-N 1 2 243.310 1.222 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccns1 ZINC001353677114 982962237 /nfs/dbraw/zinc/96/22/37/982962237.db2.gz BYGRDJTYUFBJSF-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO C[C@H](CC(=O)N1CCCSC1)n1cc[nH+]c1 ZINC001353822839 983013728 /nfs/dbraw/zinc/01/37/28/983013728.db2.gz FYRJQKAEJZGKNI-SNVBAGLBSA-N 1 2 239.344 1.757 20 0 BDADLO Nc1ccc(Nc2cnc3nccn3c2)c[nH+]1 ZINC001201280256 983158115 /nfs/dbraw/zinc/15/81/15/983158115.db2.gz ZQXBBWYCCQHNSV-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO Cc1cc2ncc(Nc3ccc(N)[nH+]c3)cn2n1 ZINC001201279513 983158356 /nfs/dbraw/zinc/15/83/56/983158356.db2.gz WPMLKZUKOLXHBC-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO Nc1ccc(Nc2cccc(CO)c2)c[nH+]1 ZINC001201285753 983161328 /nfs/dbraw/zinc/16/13/28/983161328.db2.gz OKSDGOSQULPSRU-UHFFFAOYSA-N 1 2 215.256 1.900 20 0 BDADLO CCc1ccc(N2C[C@H](O)[C@@H](C)C2)[nH+]c1 ZINC001354150930 983173935 /nfs/dbraw/zinc/17/39/35/983173935.db2.gz HFPFRDGDRGTPII-ONGXEEELSA-N 1 2 206.289 1.461 20 0 BDADLO Nc1ccc(Nc2ccnc(F)c2)c[nH+]1 ZINC001201276646 983175002 /nfs/dbraw/zinc/17/50/02/983175002.db2.gz ZEFAJMWMOFTVQV-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO COc1ncc(Nc2ccc(N)[nH+]c2)cc1F ZINC001201276564 983175051 /nfs/dbraw/zinc/17/50/51/983175051.db2.gz WMRQZCQUAAREDI-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO Nc1cnc(N(c2ccc(N)[nH+]c2)C2CC2)nc1 ZINC001201278333 983179137 /nfs/dbraw/zinc/17/91/37/983179137.db2.gz AKWYNSGGJBTSHI-UHFFFAOYSA-N 1 2 242.286 1.337 20 0 BDADLO NC(=O)c1cccc(Nc2ccc(N)[nH+]c2)c1F ZINC001201295880 983181895 /nfs/dbraw/zinc/18/18/95/983181895.db2.gz VTIJXCUZLPYPQT-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO NC(=O)c1cc(O)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201300472 983182611 /nfs/dbraw/zinc/18/26/11/983182611.db2.gz SWQZWTRZTSGOBE-UHFFFAOYSA-N 1 2 244.254 1.212 20 0 BDADLO OC1(C(F)(F)F)C[NH+](C[C@@H]2CC=CCC2)C1 ZINC001201406316 983202984 /nfs/dbraw/zinc/20/29/84/983202984.db2.gz BVRUTOASOOUTOF-SECBINFHSA-N 1 2 235.249 1.952 20 0 BDADLO NC(=O)c1cnc2ccc(-c3[nH]cc[nH+]3)cc2c1 ZINC001242017767 983217532 /nfs/dbraw/zinc/21/75/32/983217532.db2.gz WQLBABQNFMMTSD-UHFFFAOYSA-N 1 2 238.250 1.724 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccnnc2)cc1 ZINC001242061907 983279234 /nfs/dbraw/zinc/27/92/34/983279234.db2.gz XTXNOJZHEGGVLN-LBPRGKRZSA-N 1 2 243.266 1.316 20 0 BDADLO COc1cnc(-c2c[nH+]c(N)cc2C)nc1OC ZINC001242072793 983310043 /nfs/dbraw/zinc/31/00/43/983310043.db2.gz QCTFIEYLEJBTAG-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO CCc1nnc(-c2c[nH+]c(N)cc2C)nc1CC ZINC001242077983 983326072 /nfs/dbraw/zinc/32/60/72/983326072.db2.gz NTEYGARZPLRGBA-UHFFFAOYSA-N 1 2 243.314 1.949 20 0 BDADLO C[C@@H](O)[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001355253969 983453316 /nfs/dbraw/zinc/45/33/16/983453316.db2.gz CSZYSAUZTOAHTO-GHMZBOCLSA-N 1 2 246.314 1.327 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC/C=C/Cl ZINC001355311194 983466220 /nfs/dbraw/zinc/46/62/20/983466220.db2.gz CMORJFJXFOXLRG-HPOULIHZSA-N 1 2 242.710 1.323 20 0 BDADLO CCCC[C@H](O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC001252087982 983472656 /nfs/dbraw/zinc/47/26/56/983472656.db2.gz IDETXJDHEPMYPP-NEPJUHHUSA-N 1 2 214.353 1.173 20 0 BDADLO CCN(CCn1cc[nH+]c1)CC(F)(F)F ZINC001202048324 983541462 /nfs/dbraw/zinc/54/14/62/983541462.db2.gz HGTNNINPVKLLJW-UHFFFAOYSA-N 1 2 221.226 1.767 20 0 BDADLO COc1ccccc1NC(=O)NC1C[NH+](C)C1 ZINC001202128670 983571503 /nfs/dbraw/zinc/57/15/03/983571503.db2.gz ZAPZALOVQXOOHQ-UHFFFAOYSA-N 1 2 235.287 1.131 20 0 BDADLO Nc1cc(-c2cc(F)ccc2CO)cc[nH+]1 ZINC001242339669 983587920 /nfs/dbraw/zinc/58/79/20/983587920.db2.gz DZKCXDFRNWQFBB-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO CCN(C(=O)NC(C)(C)C)C1C[NH+](C)C1 ZINC001202479832 983743822 /nfs/dbraw/zinc/74/38/22/983743822.db2.gz YBZISHSCQCMTPM-UHFFFAOYSA-N 1 2 213.325 1.130 20 0 BDADLO Nc1cc(-c2ccc(CO)c(F)c2)cc[nH+]1 ZINC001242532141 983854786 /nfs/dbraw/zinc/85/47/86/983854786.db2.gz MVEFSPWCBFKHHK-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO CCOC(=O)Cc1[nH]c2ccc(N(C)C)cc2[nH+]1 ZINC000149818260 983955929 /nfs/dbraw/zinc/95/59/29/983955929.db2.gz SUJAHQOZCWTWIZ-UHFFFAOYSA-N 1 2 247.298 1.735 20 0 BDADLO Cc1csc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC001137152695 983978642 /nfs/dbraw/zinc/97/86/42/983978642.db2.gz YUASAULWHVEWIR-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Cc1csc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC001137152695 983978650 /nfs/dbraw/zinc/97/86/50/983978650.db2.gz YUASAULWHVEWIR-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Nc1[nH+]cccc1-c1c[nH]c(=O)c(F)c1 ZINC001242614925 983992381 /nfs/dbraw/zinc/99/23/81/983992381.db2.gz QHWPKIRURBZIRN-UHFFFAOYSA-N 1 2 205.192 1.571 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NC[C@@]1(C)CCCS1 ZINC001545722995 984127287 /nfs/dbraw/zinc/12/72/87/984127287.db2.gz JFFYUGFJYWSEOB-CMPLNLGQSA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NC[C@@]1(C)CCCS1 ZINC001545722995 984127305 /nfs/dbraw/zinc/12/73/05/984127305.db2.gz JFFYUGFJYWSEOB-CMPLNLGQSA-N 1 2 242.388 1.483 20 0 BDADLO CCCCC[C@H](O)CNc1cc[nH+]nc1 ZINC001253520161 984190852 /nfs/dbraw/zinc/19/08/52/984190852.db2.gz IQFDFNSVOGBKKB-NSHDSACASA-N 1 2 209.293 1.830 20 0 BDADLO CCCCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC1 ZINC001253549734 984201965 /nfs/dbraw/zinc/20/19/65/984201965.db2.gz DKGQCVGYNWHRKG-NWDGAFQWSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1nc(F)ccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274661270 984361290 /nfs/dbraw/zinc/36/12/90/984361290.db2.gz IWROHOQSRJGINO-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1nc(F)ccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274661270 984361298 /nfs/dbraw/zinc/36/12/98/984361298.db2.gz IWROHOQSRJGINO-UHFFFAOYSA-N 1 2 249.289 1.059 20 0 BDADLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+]2C ZINC001275045178 984445173 /nfs/dbraw/zinc/44/51/73/984445173.db2.gz KLYLFCLVTQHQOL-AOOOYVTPSA-N 1 2 223.345 1.340 20 0 BDADLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+]2C ZINC001275045178 984445179 /nfs/dbraw/zinc/44/51/79/984445179.db2.gz KLYLFCLVTQHQOL-AOOOYVTPSA-N 1 2 223.345 1.340 20 0 BDADLO CCOc1cc(-c2c[nH+]cn2C)ccn1 ZINC001243066520 984479278 /nfs/dbraw/zinc/47/92/78/984479278.db2.gz ICUOCSMMWANQIG-UHFFFAOYSA-N 1 2 203.245 1.881 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)[C@@H](O)CCO2 ZINC001243067712 984481837 /nfs/dbraw/zinc/48/18/37/984481837.db2.gz NXRMZICAYISEDO-LBPRGKRZSA-N 1 2 230.267 1.903 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)oc(=O)n2C ZINC001243069069 984488503 /nfs/dbraw/zinc/48/85/03/984488503.db2.gz OQZFTPZUTIEXNO-UHFFFAOYSA-N 1 2 229.239 1.532 20 0 BDADLO Cn1c[nH+]cc1-c1c[nH]c2coc(=O)c-2c1 ZINC001243070880 984498853 /nfs/dbraw/zinc/49/88/53/984498853.db2.gz AIUWCUJPMKOKLL-UHFFFAOYSA-N 1 2 215.212 1.153 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC001442350450 984499737 /nfs/dbraw/zinc/49/97/37/984499737.db2.gz DOPUXYAYASMCMD-LBPRGKRZSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC001442350450 984499744 /nfs/dbraw/zinc/49/97/44/984499744.db2.gz DOPUXYAYASMCMD-LBPRGKRZSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(N(C)C)cn1 ZINC001442577757 984500272 /nfs/dbraw/zinc/50/02/72/984500272.db2.gz ZVDVQBLBGZHJSY-NSHDSACASA-N 1 2 248.330 1.180 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(N(C)C)cn1 ZINC001442577757 984500282 /nfs/dbraw/zinc/50/02/82/984500282.db2.gz ZVDVQBLBGZHJSY-NSHDSACASA-N 1 2 248.330 1.180 20 0 BDADLO COc1cccc(C)c1C[NH+]1CC2(CCN2C)C1 ZINC001275531818 984600041 /nfs/dbraw/zinc/60/00/41/984600041.db2.gz RQUSFYOXMHUMEQ-UHFFFAOYSA-N 1 2 246.354 1.894 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C\c2ccco2)[nH+]c1C ZINC001445473620 984601375 /nfs/dbraw/zinc/60/13/75/984601375.db2.gz DRLHRXIBUMIASN-WAYWQWQTSA-N 1 2 245.282 1.949 20 0 BDADLO COc1cc(F)cc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001446011110 984625330 /nfs/dbraw/zinc/62/53/30/984625330.db2.gz HZQOSDCJMGRULU-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO COc1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1O ZINC001448511001 984813037 /nfs/dbraw/zinc/81/30/37/984813037.db2.gz GSSDTYXQPUVTKQ-UHFFFAOYSA-N 1 2 247.254 1.305 20 0 BDADLO Nc1cc(-c2ccc(CO)nc2)cc[nH+]1 ZINC001243466991 984992708 /nfs/dbraw/zinc/99/27/08/984992708.db2.gz IRSKCZKZELVYTK-UHFFFAOYSA-N 1 2 201.229 1.218 20 0 BDADLO CC[C@H](C)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001257436596 985011319 /nfs/dbraw/zinc/01/13/19/985011319.db2.gz XXEUTUXHDFXQGL-TVQRCGJNSA-N 1 2 237.299 1.664 20 0 BDADLO NC(=O)Nc1cccc(-c2ccc[nH+]c2N)c1 ZINC001243474411 985023920 /nfs/dbraw/zinc/02/39/20/985023920.db2.gz LZNCBDPLPNIEMI-UHFFFAOYSA-N 1 2 228.255 1.821 20 0 BDADLO CN1Cc2cc(-c3ccc[nH+]c3N)ccc2C1=O ZINC001243475409 985032521 /nfs/dbraw/zinc/03/25/21/985032521.db2.gz HBYLWNFSGSXUHA-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1NC(=O)NC2 ZINC001243476836 985037410 /nfs/dbraw/zinc/03/74/10/985037410.db2.gz FDIZIVDZMAANKX-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO C[C@H](O)c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000686080477 985061254 /nfs/dbraw/zinc/06/12/54/985061254.db2.gz GHWIZZWGWYZEGC-NSHDSACASA-N 1 2 246.314 1.834 20 0 BDADLO CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257464982 985078592 /nfs/dbraw/zinc/07/85/92/985078592.db2.gz XTPMJEFASAJEIS-IJLUTSLNSA-N 1 2 245.363 1.715 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)[C@@H]1C[C@H]1F ZINC001456245269 985126973 /nfs/dbraw/zinc/12/69/73/985126973.db2.gz WENQHFIPWRHSNE-HTQZYQBOSA-N 1 2 237.278 1.263 20 0 BDADLO Cn1c[nH+]cc1CNc1nc2cnccc2n1C ZINC000686559117 985135236 /nfs/dbraw/zinc/13/52/36/985135236.db2.gz HXZVNADFVIEQQB-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+]Cc1cnn3c1CCC3)CC2 ZINC001327253713 985206935 /nfs/dbraw/zinc/20/69/35/985206935.db2.gz HAEKNZLXSFWVRN-LLVKDONJSA-N 1 2 243.314 1.260 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+](C)C[C@H]1CCCO1 ZINC000156681286 985268121 /nfs/dbraw/zinc/26/81/21/985268121.db2.gz PPCNEYWZMIEJJF-SNVBAGLBSA-N 1 2 243.738 1.913 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+](C)C[C@H]1CCCO1 ZINC000156681286 985268132 /nfs/dbraw/zinc/26/81/32/985268132.db2.gz PPCNEYWZMIEJJF-SNVBAGLBSA-N 1 2 243.738 1.913 20 0 BDADLO Cc1cn2c(cccc2-c2cnc(N)nc2)[nH+]1 ZINC001243874942 985535828 /nfs/dbraw/zinc/53/58/28/985535828.db2.gz MRYQKIYOVPMNRJ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO FC(F)CN1CCC[N@H+](CC2=NOCC2)CC1 ZINC001459779509 985610978 /nfs/dbraw/zinc/61/09/78/985610978.db2.gz VVIPGSRBJBOILU-UHFFFAOYSA-N 1 2 247.289 1.036 20 0 BDADLO FC(F)CN1CCC[N@@H+](CC2=NOCC2)CC1 ZINC001459779509 985610987 /nfs/dbraw/zinc/61/09/87/985610987.db2.gz VVIPGSRBJBOILU-UHFFFAOYSA-N 1 2 247.289 1.036 20 0 BDADLO c1cn(-c2cc(C3=C[NH2+]CCC3)ncn2)cn1 ZINC001243947356 985624483 /nfs/dbraw/zinc/62/44/83/985624483.db2.gz IFYBEUBQISUDMP-UHFFFAOYSA-N 1 2 227.271 1.387 20 0 BDADLO COC(=O)c1ccc(C2=C[NH2+]CCC2)nc1OC ZINC001243948261 985629234 /nfs/dbraw/zinc/62/92/34/985629234.db2.gz ZQSGIOBULCZRRV-UHFFFAOYSA-N 1 2 248.282 1.601 20 0 BDADLO NC(=O)c1cc(C2=C[NH2+]CCC2)nc(C2CC2)n1 ZINC001243949558 985636683 /nfs/dbraw/zinc/63/66/83/985636683.db2.gz MWBCMIGCVAQNCD-UHFFFAOYSA-N 1 2 244.298 1.177 20 0 BDADLO CO[C@@H](C[NH2+][C@H](C)c1noc(C)n1)C1CCC1 ZINC001327553116 985704630 /nfs/dbraw/zinc/70/46/30/985704630.db2.gz DKNCYUZUCBWCDA-KCJUWKMLSA-N 1 2 239.319 1.844 20 0 BDADLO CC(C)C1(O)C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000689067075 985798412 /nfs/dbraw/zinc/79/84/12/985798412.db2.gz WMGUMJWVFSDCRQ-VIFPVBQESA-N 1 2 235.274 1.113 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@@H]1CC2(CCC2)CO1 ZINC001460690470 985878873 /nfs/dbraw/zinc/87/88/73/985878873.db2.gz YYOHOJVHFCADEF-LBPRGKRZSA-N 1 2 247.342 1.868 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@@H]1CC2(CCC2)CO1 ZINC001460690470 985878879 /nfs/dbraw/zinc/87/88/79/985878879.db2.gz YYOHOJVHFCADEF-LBPRGKRZSA-N 1 2 247.342 1.868 20 0 BDADLO CCc1ncc(C[NH2+]Cc2nccs2)cn1 ZINC001461077527 986007993 /nfs/dbraw/zinc/00/79/93/986007993.db2.gz FKBDQHPKXSDRHV-UHFFFAOYSA-N 1 2 234.328 1.785 20 0 BDADLO CCn1c[nH+]cc1CNc1cnc2n[nH]cc2c1 ZINC001461791192 986156920 /nfs/dbraw/zinc/15/69/20/986156920.db2.gz JESHNGFDHVUWKH-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccn1C(F)F ZINC001461940468 986232328 /nfs/dbraw/zinc/23/23/28/986232328.db2.gz BMPNYGWVOWHKLC-UHFFFAOYSA-N 1 2 245.273 1.451 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccn1C(F)F ZINC001461940468 986232339 /nfs/dbraw/zinc/23/23/39/986232339.db2.gz BMPNYGWVOWHKLC-UHFFFAOYSA-N 1 2 245.273 1.451 20 0 BDADLO C[C@@H](O)c1cc[nH+]c(NC[C@@H](O)C(C)(C)C)c1 ZINC001253719794 986338634 /nfs/dbraw/zinc/33/86/34/986338634.db2.gz GJZQJYQDEKROJR-MWLCHTKSSA-N 1 2 238.331 1.954 20 0 BDADLO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)cc(C)n1 ZINC001462313866 986346781 /nfs/dbraw/zinc/34/67/81/986346781.db2.gz FKDVZRCHXKZIIE-UHFFFAOYSA-N 1 2 234.343 1.901 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H](O)C(C)C)CCCC1 ZINC001253751972 986371891 /nfs/dbraw/zinc/37/18/91/986371891.db2.gz HJCULCPJIVRKBH-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C)ccn1 ZINC001464200482 986616523 /nfs/dbraw/zinc/61/65/23/986616523.db2.gz FDDHUEBRUDKPMB-JTQLQIEISA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C)ccn1 ZINC001464200482 986616536 /nfs/dbraw/zinc/61/65/36/986616536.db2.gz FDDHUEBRUDKPMB-JTQLQIEISA-N 1 2 219.288 1.423 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCC(=O)C3)n2c1 ZINC001137310363 986742892 /nfs/dbraw/zinc/74/28/92/986742892.db2.gz TVUTYIZZGCMRGP-UHFFFAOYSA-N 1 2 229.283 1.418 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC2(CCC2)C1 ZINC001465939347 986751282 /nfs/dbraw/zinc/75/12/82/986751282.db2.gz KMXXYWZQHQJBNK-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]2)C[C@@H]1F ZINC001137313692 986752898 /nfs/dbraw/zinc/75/28/98/986752898.db2.gz MQELFRNUPJOZLT-WCQYABFASA-N 1 2 234.274 1.683 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)C[C@@H]1F ZINC001137313692 986752910 /nfs/dbraw/zinc/75/29/10/986752910.db2.gz MQELFRNUPJOZLT-WCQYABFASA-N 1 2 234.274 1.683 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCN(C)C(=O)[C@H]2C)[nH]1 ZINC001137329838 986787591 /nfs/dbraw/zinc/78/75/91/986787591.db2.gz REAYRTBJLAACSC-LLVKDONJSA-N 1 2 235.331 1.294 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCN(C)C(=O)[C@H]2C)[nH]1 ZINC001137329838 986787605 /nfs/dbraw/zinc/78/76/05/986787605.db2.gz REAYRTBJLAACSC-LLVKDONJSA-N 1 2 235.331 1.294 20 0 BDADLO CC[C@H](CSC)NC(=O)[C@H]1CC[N@@H+]1CC ZINC001466522055 986808661 /nfs/dbraw/zinc/80/86/61/986808661.db2.gz DWRKSILGABEACI-NXEZZACHSA-N 1 2 230.377 1.338 20 0 BDADLO CC[C@H](CSC)NC(=O)[C@H]1CC[N@H+]1CC ZINC001466522055 986808663 /nfs/dbraw/zinc/80/86/63/986808663.db2.gz DWRKSILGABEACI-NXEZZACHSA-N 1 2 230.377 1.338 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC12CC2 ZINC001467293676 986844890 /nfs/dbraw/zinc/84/48/90/986844890.db2.gz YVDMKMVVPSXGQL-UWVGGRQHSA-N 1 2 231.299 1.114 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccnc2Cl)CC[C@H]1F ZINC001137420925 986890987 /nfs/dbraw/zinc/89/09/87/986890987.db2.gz CQNXRWPNFFQJHO-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@H]1F ZINC001137420925 986890991 /nfs/dbraw/zinc/89/09/91/986890991.db2.gz CQNXRWPNFFQJHO-NXEZZACHSA-N 1 2 244.697 1.640 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC2(CCC2)C1 ZINC001137429454 986895288 /nfs/dbraw/zinc/89/52/88/986895288.db2.gz XOWIKAUXXGLLDR-UHFFFAOYSA-N 1 2 233.315 1.365 20 0 BDADLO CCOc1nccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245535638 986908512 /nfs/dbraw/zinc/90/85/12/986908512.db2.gz MRGJHRQVYBBYMX-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nc2F)C[C@@H]1O ZINC001137470739 986915627 /nfs/dbraw/zinc/91/56/27/986915627.db2.gz JBYXIRJUXNWUJL-CBAPKCEASA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2F)C[C@@H]1O ZINC001137470739 986915639 /nfs/dbraw/zinc/91/56/39/986915639.db2.gz JBYXIRJUXNWUJL-CBAPKCEASA-N 1 2 244.697 1.687 20 0 BDADLO Cc1cc(-c2ccnc(N)n2)c[nH+]c1N ZINC001245538346 986919460 /nfs/dbraw/zinc/91/94/60/986919460.db2.gz MUBJEPYGHLSCTH-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO CCc1ncncc1-c1c[nH+]c(N)c(C)c1 ZINC001245539772 986927513 /nfs/dbraw/zinc/92/75/13/986927513.db2.gz PEYZNMZBWXMQHW-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO COCCCNC(=S)Nc1c[nH+]c(C)n1C ZINC001245581464 986975890 /nfs/dbraw/zinc/97/58/90/986975890.db2.gz QSHDQWKXMKHLMJ-UHFFFAOYSA-N 1 2 242.348 1.051 20 0 BDADLO C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)[C@@H]1C ZINC001470444998 987046497 /nfs/dbraw/zinc/04/64/97/987046497.db2.gz GPIGCBOAMBXVFA-NXEZZACHSA-N 1 2 236.319 1.012 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001098261304 987048876 /nfs/dbraw/zinc/04/88/76/987048876.db2.gz OASFQMFPFBIJCP-MXWKQRLJSA-N 1 2 242.338 1.724 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001098261304 987048889 /nfs/dbraw/zinc/04/88/89/987048889.db2.gz OASFQMFPFBIJCP-MXWKQRLJSA-N 1 2 242.338 1.724 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C/[C@@H]2CCOC2)c[nH+]1 ZINC001472020054 987158524 /nfs/dbraw/zinc/15/85/24/987158524.db2.gz ARLWHVKXOUASDU-HMDXOVGESA-N 1 2 249.314 1.181 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C[C@@H]2CCOC2)[nH+]1 ZINC001472020054 987158532 /nfs/dbraw/zinc/15/85/32/987158532.db2.gz ARLWHVKXOUASDU-HMDXOVGESA-N 1 2 249.314 1.181 20 0 BDADLO CCC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001103837421 987260597 /nfs/dbraw/zinc/26/05/97/987260597.db2.gz QGSWMQKOOKNDIG-VIFPVBQESA-N 1 2 236.319 1.359 20 0 BDADLO CCn1cc(CN(C)c2cc(NC)[nH+]cn2)cn1 ZINC000693702565 987313827 /nfs/dbraw/zinc/31/38/27/987313827.db2.gz OECFDYJLMLJXFP-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCn1cc(CN(C)c2cc(NC)nc[nH+]2)cn1 ZINC000693702565 987313833 /nfs/dbraw/zinc/31/38/33/987313833.db2.gz OECFDYJLMLJXFP-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCc1cn(C/C=C(/C)C(=O)OC)c[nH+]1 ZINC001473086907 987329462 /nfs/dbraw/zinc/32/94/62/987329462.db2.gz CXMBPMNAIKGVFI-UITAMQMPSA-N 1 2 208.261 1.565 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+]1CCn2nccc2C1 ZINC001473670119 987524199 /nfs/dbraw/zinc/52/41/99/987524199.db2.gz BWUIQCHXXYGXCL-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+]1CCn2nccc2C1 ZINC001473670119 987524210 /nfs/dbraw/zinc/52/42/10/987524210.db2.gz BWUIQCHXXYGXCL-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CO[C@H](C)C[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473798659 987564881 /nfs/dbraw/zinc/56/48/81/987564881.db2.gz ZYCAQXJFVBVQGR-VHSXEESVSA-N 1 2 223.320 1.439 20 0 BDADLO CO[C@H](C)C[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001473798659 987564896 /nfs/dbraw/zinc/56/48/96/987564896.db2.gz ZYCAQXJFVBVQGR-VHSXEESVSA-N 1 2 223.320 1.439 20 0 BDADLO CC[C@H](CSC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116483998 987600223 /nfs/dbraw/zinc/60/02/23/987600223.db2.gz LSCQTXCAMFESCC-NXEZZACHSA-N 1 2 241.360 1.702 20 0 BDADLO CC[C@H](CSC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116484000 987600818 /nfs/dbraw/zinc/60/08/18/987600818.db2.gz LSCQTXCAMFESCC-VHSXEESVSA-N 1 2 241.360 1.702 20 0 BDADLO Cc1cc(C[NH2+]Cc2nn(C)cc2C)[nH]n1 ZINC001474019232 987629272 /nfs/dbraw/zinc/62/92/72/987629272.db2.gz SKSATXAXOQWWOQ-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO C[C@H](C(=O)N[C@@]1(C)CCO[C@H]1C)n1cc[nH+]c1 ZINC001116567239 987630284 /nfs/dbraw/zinc/63/02/84/987630284.db2.gz KABAOKQRDCHZCE-SCVCMEIPSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@@H](C(=O)N1CCc2ccncc21)n1cc[nH+]c1 ZINC001116584678 987637703 /nfs/dbraw/zinc/63/77/03/987637703.db2.gz JHEUXZUYHJVACQ-JTQLQIEISA-N 1 2 242.282 1.428 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nnc3n2CCC3)[nH]n1 ZINC001116604088 987640555 /nfs/dbraw/zinc/64/05/55/987640555.db2.gz RWBXFIZGWPUGTM-SECBINFHSA-N 1 2 246.318 1.107 20 0 BDADLO NC(=O)c1ccc(C[NH2+]C(CF)CF)cc1 ZINC001474156813 987650799 /nfs/dbraw/zinc/65/07/99/987650799.db2.gz BDTCOHJHFRVJPC-UHFFFAOYSA-N 1 2 228.242 1.183 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C(=O)OC(C)(C)C ZINC001474397247 987713482 /nfs/dbraw/zinc/71/34/82/987713482.db2.gz USBSFIRUYJNCOI-VLEAKVRGSA-N 1 2 241.331 1.341 20 0 BDADLO c1[nH]cc(CCc2nc(C3CCOCC3)no2)[nH+]1 ZINC001117135303 987787030 /nfs/dbraw/zinc/78/70/30/987787030.db2.gz LGJDVJBBLHLVHL-UHFFFAOYSA-N 1 2 248.286 1.472 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(=O)[nH]c1)n1cc[nH+]c1 ZINC001117691350 987865103 /nfs/dbraw/zinc/86/51/03/987865103.db2.gz MDKUFKLIZJXNAR-QMMMGPOBSA-N 1 2 232.243 1.183 20 0 BDADLO c1cn(Cc2nnc(Cc3ccccn3)o2)c[nH+]1 ZINC001117691636 987865301 /nfs/dbraw/zinc/86/53/01/987865301.db2.gz PDHMGUPZEDIIRT-UHFFFAOYSA-N 1 2 241.254 1.300 20 0 BDADLO Cc1nnc(C[N@@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001117720477 987876485 /nfs/dbraw/zinc/87/64/85/987876485.db2.gz RHUIQZTZHNGFNS-UHFFFAOYSA-N 1 2 208.309 1.734 20 0 BDADLO Cc1nnc(C[N@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001117720477 987876490 /nfs/dbraw/zinc/87/64/90/987876490.db2.gz RHUIQZTZHNGFNS-UHFFFAOYSA-N 1 2 208.309 1.734 20 0 BDADLO CC[C@](C)(CNC(=O)[C@H](C)n1cc[nH+]c1)OC ZINC001117796326 987922268 /nfs/dbraw/zinc/92/22/68/987922268.db2.gz HHCPJHMSVJMNKH-CMPLNLGQSA-N 1 2 239.319 1.375 20 0 BDADLO Cc1cc(CNCC[NH+]2CCC(C)CC2)n[nH]1 ZINC001321649452 987962954 /nfs/dbraw/zinc/96/29/54/987962954.db2.gz HINRPBVMGDRTKS-UHFFFAOYSA-N 1 2 236.363 1.540 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nnc(C)n2C)n(C)n1 ZINC001321931993 988052946 /nfs/dbraw/zinc/05/29/46/988052946.db2.gz AMBVPVKLCQMVPE-SECBINFHSA-N 1 2 248.334 1.016 20 0 BDADLO [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCOCC2)C1 ZINC001246575830 988086314 /nfs/dbraw/zinc/08/63/14/988086314.db2.gz JCQFKIUJZDIQHG-LBPRGKRZSA-N 1 2 230.327 1.318 20 0 BDADLO C[C@H]1OCC[C@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001118257931 988154834 /nfs/dbraw/zinc/15/48/34/988154834.db2.gz JRIRJSYBBNIIBA-RKDXNWHRSA-N 1 2 234.259 1.207 20 0 BDADLO CCN(C(=O)C(C)(C)F)[C@@H]1CC[N@H+](CCF)C1 ZINC001494871245 988191202 /nfs/dbraw/zinc/19/12/02/988191202.db2.gz FRJPFIIDMROLHV-SNVBAGLBSA-N 1 2 248.317 1.627 20 0 BDADLO CCN(C(=O)C(C)(C)F)[C@@H]1CC[N@@H+](CCF)C1 ZINC001494871245 988191213 /nfs/dbraw/zinc/19/12/13/988191213.db2.gz FRJPFIIDMROLHV-SNVBAGLBSA-N 1 2 248.317 1.627 20 0 BDADLO Cc1nccc(CCc2nnc(C[NH+](C)C)o2)n1 ZINC001118371742 988273918 /nfs/dbraw/zinc/27/39/18/988273918.db2.gz HKINOPOFYVLONS-UHFFFAOYSA-N 1 2 247.302 1.015 20 0 BDADLO CSC[C@@H](C)c1nnc(C[NH+](C)C)o1 ZINC001322583106 988334104 /nfs/dbraw/zinc/33/41/04/988334104.db2.gz MLCPXCLPZARGNF-SSDOTTSWSA-N 1 2 215.322 1.598 20 0 BDADLO COCC1=CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001323072011 988445444 /nfs/dbraw/zinc/44/54/44/988445444.db2.gz GQYHXTWICQVFKF-UHFFFAOYSA-N 1 2 249.314 1.147 20 0 BDADLO COCC1([NH2+]CC(=O)OC(C)C)CCCCC1 ZINC001118568989 988454088 /nfs/dbraw/zinc/45/40/88/988454088.db2.gz MQQXFZGTYUUARZ-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)c2ccccn2)n1 ZINC001118576167 988456629 /nfs/dbraw/zinc/45/66/29/988456629.db2.gz IBSWGWQYPKRFMB-KCJUWKMLSA-N 1 2 248.286 1.157 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1cnccn1 ZINC001323168393 988464944 /nfs/dbraw/zinc/46/49/44/988464944.db2.gz MBHDJGAPUVIYIO-QWRGUYRKSA-N 1 2 248.330 1.138 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1cnccn1 ZINC001323168393 988464947 /nfs/dbraw/zinc/46/49/47/988464947.db2.gz MBHDJGAPUVIYIO-QWRGUYRKSA-N 1 2 248.330 1.138 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC2(CCC2)O1 ZINC001118714502 988524721 /nfs/dbraw/zinc/52/47/21/988524721.db2.gz POCUNYVKSARWFI-SNVBAGLBSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(/C=C/[C@@H]1CCOC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001118793658 988593329 /nfs/dbraw/zinc/59/33/29/988593329.db2.gz ORAMIUPQWDDKLA-COUIAZAYSA-N 1 2 247.298 1.037 20 0 BDADLO CC(C)(C)ONC(=O)CCc1[nH]cc[nH+]1 ZINC001323724735 988597149 /nfs/dbraw/zinc/59/71/49/988597149.db2.gz HAMVKCMDCPYDNI-UHFFFAOYSA-N 1 2 211.265 1.189 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(F)F ZINC001548717617 988654866 /nfs/dbraw/zinc/65/48/66/988654866.db2.gz KOGXEWYNUGTBDA-HTQZYQBOSA-N 1 2 243.257 1.215 20 0 BDADLO c1cn(Cc2nc([C@@H]3CCCO3)no2)c[nH+]1 ZINC001323997837 988662986 /nfs/dbraw/zinc/66/29/86/988662986.db2.gz UGQYRYUYQYAOMN-QMMMGPOBSA-N 1 2 220.232 1.166 20 0 BDADLO Cc1nnc(CN(C)Cc2[nH]c(C)c(C)[nH+]2)o1 ZINC001118941984 988723445 /nfs/dbraw/zinc/72/34/45/988723445.db2.gz NBVZHCWMSPZAEX-UHFFFAOYSA-N 1 2 235.291 1.350 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001324290733 988782586 /nfs/dbraw/zinc/78/25/86/988782586.db2.gz GMAUULLEJTZOCG-STQMWFEESA-N 1 2 247.342 1.922 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C1CC1 ZINC001324372483 988820780 /nfs/dbraw/zinc/82/07/80/988820780.db2.gz YOGQXRGEIVWZRB-IHWYPQMZSA-N 1 2 219.288 1.343 20 0 BDADLO Cc1ncccc1-c1noc(Cc2c[nH]c[nH+]2)n1 ZINC001247137064 988850288 /nfs/dbraw/zinc/85/02/88/988850288.db2.gz DJUVRKZLXUPWMT-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO CCc1ccc(NC(=S)NC2C[NH+](C)C2)cc1 ZINC001247353556 988854967 /nfs/dbraw/zinc/85/49/67/988854967.db2.gz BXPJUEKICMCQFY-UHFFFAOYSA-N 1 2 249.383 1.849 20 0 BDADLO Cc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1O ZINC001546336723 988883357 /nfs/dbraw/zinc/88/33/57/988883357.db2.gz RSSSTSZDFGTZJY-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO CCOc1ccc(-c2noc([C@H]([NH3+])CO)n2)cc1 ZINC001247490334 988895884 /nfs/dbraw/zinc/89/58/84/988895884.db2.gz FYXSIVZBHCXIAL-SNVBAGLBSA-N 1 2 249.270 1.127 20 0 BDADLO [NH3+][C@H](CO)c1nc(-c2cccc3occc32)no1 ZINC001247493131 988900422 /nfs/dbraw/zinc/90/04/22/988900422.db2.gz RTAPPFCPULRGOO-SECBINFHSA-N 1 2 245.238 1.475 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccn1C1CC1 ZINC001324646766 988909098 /nfs/dbraw/zinc/90/90/98/988909098.db2.gz NFIUWUULBYRYJA-UHFFFAOYSA-N 1 2 235.331 1.391 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccn1C1CC1 ZINC001324646766 988909108 /nfs/dbraw/zinc/90/91/08/988909108.db2.gz NFIUWUULBYRYJA-UHFFFAOYSA-N 1 2 235.331 1.391 20 0 BDADLO Cc1cccc(-c2noc([C@@H]([NH3+])CO)n2)c1F ZINC001247612364 988945592 /nfs/dbraw/zinc/94/55/92/988945592.db2.gz LVWKPJPUDBRFOM-QMMMGPOBSA-N 1 2 237.234 1.176 20 0 BDADLO COc1cc(C)cc(-c2noc([C@@H]([NH3+])CO)n2)c1 ZINC001247608700 988946280 /nfs/dbraw/zinc/94/62/80/988946280.db2.gz RQYKWCZZFZWLQF-JTQLQIEISA-N 1 2 249.270 1.046 20 0 BDADLO CCC[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)OC ZINC001324744847 988958994 /nfs/dbraw/zinc/95/89/94/988958994.db2.gz COQZXHGQOXFMOC-GHMZBOCLSA-N 1 2 239.319 1.375 20 0 BDADLO Cc1c[nH]nc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC001119341233 988977530 /nfs/dbraw/zinc/97/75/30/988977530.db2.gz MTBVCLSNBJJXBH-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1c[nH]nc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC001119341233 988977539 /nfs/dbraw/zinc/97/75/39/988977539.db2.gz MTBVCLSNBJJXBH-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO COCc1cc(C[NH2+][C@H](C)c2cn[nH]c2)no1 ZINC001119345095 988988371 /nfs/dbraw/zinc/98/83/71/988988371.db2.gz HKNVIOBZJWQFCJ-MRVPVSSYSA-N 1 2 236.275 1.395 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccc(C)cn2)no1 ZINC001247961736 989049529 /nfs/dbraw/zinc/04/95/29/989049529.db2.gz TYZCIXNSHZABDL-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](O)C3(CC3)C2)[nH+]1 ZINC001515658976 989093159 /nfs/dbraw/zinc/09/31/59/989093159.db2.gz MKTANZFYPRXZQM-JTQLQIEISA-N 1 2 222.263 1.490 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)[C@@](C)(CO)C2)[nH+]1 ZINC001515907083 989127488 /nfs/dbraw/zinc/12/74/88/989127488.db2.gz DSHUEELVZQQNBP-NOZJJQNGSA-N 1 2 238.306 1.984 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)[C@](C)(CO)C2)[nH+]1 ZINC001515907085 989129255 /nfs/dbraw/zinc/12/92/55/989129255.db2.gz DSHUEELVZQQNBP-RNCFNFMXSA-N 1 2 238.306 1.984 20 0 BDADLO C[C@H](C(=O)N[C@H]1CSC1(C)C)n1cc[nH+]c1 ZINC001325268319 989138132 /nfs/dbraw/zinc/13/81/32/989138132.db2.gz LXKJUDDZOYHQDR-BDAKNGLRSA-N 1 2 239.344 1.454 20 0 BDADLO Cc1cc(C[NH+]2CCN(C(N)=O)CC2)cs1 ZINC001248803224 989154933 /nfs/dbraw/zinc/15/49/33/989154933.db2.gz MTUKSIWASCHWDM-UHFFFAOYSA-N 1 2 239.344 1.253 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccc(=O)n2C)CCC1=O ZINC001248805584 989161548 /nfs/dbraw/zinc/16/15/48/989161548.db2.gz ZJQZGODZLFQHNP-LLVKDONJSA-N 1 2 248.326 1.186 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccc(=O)n2C)CCC1=O ZINC001248805584 989161562 /nfs/dbraw/zinc/16/15/62/989161562.db2.gz ZJQZGODZLFQHNP-LLVKDONJSA-N 1 2 248.326 1.186 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccc3n2CCC3)CC1 ZINC001248821473 989178113 /nfs/dbraw/zinc/17/81/13/989178113.db2.gz BLHFRGDEOHPLFB-UHFFFAOYSA-N 1 2 247.342 1.098 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248821113 989179467 /nfs/dbraw/zinc/17/94/67/989179467.db2.gz OPZRBEGDXOKNPJ-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248821113 989179477 /nfs/dbraw/zinc/17/94/77/989179477.db2.gz OPZRBEGDXOKNPJ-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248821114 989180608 /nfs/dbraw/zinc/18/06/08/989180608.db2.gz OPZRBEGDXOKNPJ-STQMWFEESA-N 1 2 238.306 1.603 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248821114 989180620 /nfs/dbraw/zinc/18/06/20/989180620.db2.gz OPZRBEGDXOKNPJ-STQMWFEESA-N 1 2 238.306 1.603 20 0 BDADLO COCC1C[NH+](Cc2nc3cc(C)ccc3[nH]2)C1 ZINC001248839477 989191253 /nfs/dbraw/zinc/19/12/53/989191253.db2.gz KSOTZTPITYJXMR-UHFFFAOYSA-N 1 2 245.326 1.950 20 0 BDADLO Cc1cc(C)nc(C[NH+]2CC3(C2)CCOCC3)n1 ZINC001248966567 989233453 /nfs/dbraw/zinc/23/34/53/989233453.db2.gz UOHYNIQDXCNCLQ-UHFFFAOYSA-N 1 2 247.342 1.706 20 0 BDADLO CCCc1n[nH]cc1C(=O)NCc1[nH]c[nH+]c1C ZINC001325744627 989248904 /nfs/dbraw/zinc/24/89/04/989248904.db2.gz SURWNOCKFKFCDQ-UHFFFAOYSA-N 1 2 247.302 1.324 20 0 BDADLO CCO[C@H]1C[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001325803978 989266105 /nfs/dbraw/zinc/26/61/05/989266105.db2.gz ZXKHDVAISZVRSH-SFYZADRCSA-N 1 2 211.265 1.024 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccn(C)c1 ZINC001518047022 989275523 /nfs/dbraw/zinc/27/55/23/989275523.db2.gz BPIOYKMVYNUNPJ-UHFFFAOYSA-N 1 2 233.271 1.599 20 0 BDADLO CCCOCC(=O)Nc1c(C)c[nH+]cc1C ZINC001518385714 989300392 /nfs/dbraw/zinc/30/03/92/989300392.db2.gz XDXPQYCMCVEDPX-UHFFFAOYSA-N 1 2 222.288 1.485 20 0 BDADLO c1nocc1NC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001249553304 989303829 /nfs/dbraw/zinc/30/38/29/989303829.db2.gz GBGONIMQLSCJOF-ZDUSSCGKSA-N 1 2 249.314 1.855 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]32)ns1 ZINC001249567710 989305187 /nfs/dbraw/zinc/30/51/87/989305187.db2.gz IFPVQBKZTSBPBI-GHMZBOCLSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H]3OCC[C@H]32)ns1 ZINC001249567710 989305201 /nfs/dbraw/zinc/30/52/01/989305201.db2.gz IFPVQBKZTSBPBI-GHMZBOCLSA-N 1 2 224.329 1.815 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1cc(C)sn1 ZINC001249582744 989315786 /nfs/dbraw/zinc/31/57/86/989315786.db2.gz WUQVXKRVUPLPJX-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1cc(C)sn1 ZINC001249582744 989315796 /nfs/dbraw/zinc/31/57/96/989315796.db2.gz WUQVXKRVUPLPJX-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)c1cnnn1C ZINC001119690319 989337847 /nfs/dbraw/zinc/33/78/47/989337847.db2.gz RGNVTVLPQWGKIU-ZETCQYMHSA-N 1 2 223.305 1.122 20 0 BDADLO CCn1cc(NC(=O)CCc2[nH+]ccn2C)cn1 ZINC001518913938 989347603 /nfs/dbraw/zinc/34/76/03/989347603.db2.gz SZMZEABCPMBTJI-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CC[C@@H](F)C(=O)OCCCc1c[nH+]cn1C ZINC001519060714 989376660 /nfs/dbraw/zinc/37/66/60/989376660.db2.gz NCGBKWJJMKVIJZ-SNVBAGLBSA-N 1 2 228.267 1.644 20 0 BDADLO CCc1ncc(C[N@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC001119811139 989415390 /nfs/dbraw/zinc/41/53/90/989415390.db2.gz WVZHXUGSAACWCG-ABKXIKBNSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1ncc(C[N@@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC001119811139 989415411 /nfs/dbraw/zinc/41/54/11/989415411.db2.gz WVZHXUGSAACWCG-ABKXIKBNSA-N 1 2 244.360 1.436 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001519587807 989433561 /nfs/dbraw/zinc/43/35/61/989433561.db2.gz VXEAQAKDNNCONI-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO COC/C(C)=C/C[NH2+][C@H](C)c1ncn(C)n1 ZINC001119841109 989433593 /nfs/dbraw/zinc/43/35/93/989433593.db2.gz RWRQIAHJVTWFGL-NAZIUFLLSA-N 1 2 224.308 1.058 20 0 BDADLO C[C@@H](C1CC1)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC001119843763 989435173 /nfs/dbraw/zinc/43/51/73/989435173.db2.gz GIINLIUMMCOMBL-IONNQARKSA-N 1 2 205.248 1.487 20 0 BDADLO C[C@@H](C1CC1)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC001119843763 989435183 /nfs/dbraw/zinc/43/51/83/989435183.db2.gz GIINLIUMMCOMBL-IONNQARKSA-N 1 2 205.248 1.487 20 0 BDADLO Cc1[nH]c(CNC(=O)CC2(C)COC2)[nH+]c1C ZINC001119887909 989451524 /nfs/dbraw/zinc/45/15/24/989451524.db2.gz ILPVPCODTLLAKI-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO CCOC(=O)[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC001119977476 989533631 /nfs/dbraw/zinc/53/36/31/989533631.db2.gz QOWSTDSFYQTSAP-LLVKDONJSA-N 1 2 249.314 1.483 20 0 BDADLO CCOC(=O)[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC001119977477 989535883 /nfs/dbraw/zinc/53/58/83/989535883.db2.gz QOWSTDSFYQTSAP-NSHDSACASA-N 1 2 249.314 1.483 20 0 BDADLO Cc1nnc([C@@H](C)N2CCn3c[nH+]cc3C2)o1 ZINC001326407628 989546176 /nfs/dbraw/zinc/54/61/76/989546176.db2.gz UOGZMZNFROKZIF-MRVPVSSYSA-N 1 2 233.275 1.151 20 0 BDADLO C[C@H](O)C1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001520450924 989566875 /nfs/dbraw/zinc/56/68/75/989566875.db2.gz XFTQPNBKYXZZCA-QMMMGPOBSA-N 1 2 245.282 1.016 20 0 BDADLO CCc1ncoc1C(=O)OCc1c[nH+]cn1CC ZINC001520443264 989568147 /nfs/dbraw/zinc/56/81/47/989568147.db2.gz ZMRNSSGMBBOKPA-UHFFFAOYSA-N 1 2 249.270 1.810 20 0 BDADLO CN(C)c1cc(N2C3CCC2(CO)CC3)nc[nH+]1 ZINC001120064903 989585307 /nfs/dbraw/zinc/58/53/07/989585307.db2.gz ZFQNEXPSFIELAD-UHFFFAOYSA-N 1 2 248.330 1.036 20 0 BDADLO CN(C)c1cc(N2C3CCC2(CO)CC3)[nH+]cn1 ZINC001120064903 989585318 /nfs/dbraw/zinc/58/53/18/989585318.db2.gz ZFQNEXPSFIELAD-UHFFFAOYSA-N 1 2 248.330 1.036 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001520646630 989587802 /nfs/dbraw/zinc/58/78/02/989587802.db2.gz GTVXCQSGDFQNRJ-GHMZBOCLSA-N 1 2 235.331 1.658 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@H]2CCCOC2)o1 ZINC001326551290 989602828 /nfs/dbraw/zinc/60/28/28/989602828.db2.gz BWQYCLAZSOIUMK-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO Cc1noc(C)c1NC(=O)CCc1[nH+]ccn1C ZINC001520895173 989618698 /nfs/dbraw/zinc/61/86/98/989618698.db2.gz DOKCVWLNRXCQIB-UHFFFAOYSA-N 1 2 248.286 1.596 20 0 BDADLO Cc1cc(C[N@H+](C)CCCCCO)n[nH]1 ZINC001326719349 989663130 /nfs/dbraw/zinc/66/31/30/989663130.db2.gz CVKLKMWDZKNWAL-UHFFFAOYSA-N 1 2 211.309 1.313 20 0 BDADLO Cc1cc(C[N@@H+](C)CCCCCO)n[nH]1 ZINC001326719349 989663140 /nfs/dbraw/zinc/66/31/40/989663140.db2.gz CVKLKMWDZKNWAL-UHFFFAOYSA-N 1 2 211.309 1.313 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C)CCC1 ZINC001521280380 989663483 /nfs/dbraw/zinc/66/34/83/989663483.db2.gz XDQIEEVXJNJPOU-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001521280144 989663889 /nfs/dbraw/zinc/66/38/89/989663889.db2.gz TZQQGPHCDNBYHI-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO CNc1cc(CNC(=O)N2CC[C@H]2C)cc[nH+]1 ZINC001521341890 989684924 /nfs/dbraw/zinc/68/49/24/989684924.db2.gz AGKCLMGYPISHGI-SECBINFHSA-N 1 2 234.303 1.427 20 0 BDADLO CC[C@@H](CNc1nc(C)[nH+]cc1C)C(=O)OC ZINC001326839104 989741440 /nfs/dbraw/zinc/74/14/40/989741440.db2.gz MLPPQQJCWFZIHQ-JTQLQIEISA-N 1 2 237.303 1.705 20 0 BDADLO CC(C)CC[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC001326891830 989761764 /nfs/dbraw/zinc/76/17/64/989761764.db2.gz VJHQYYVNIMYZDM-SNVBAGLBSA-N 1 2 238.335 1.792 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\C2CCOCC2)o1 ZINC001326941308 989784127 /nfs/dbraw/zinc/78/41/27/989784127.db2.gz PVMFTLXWNBOXBG-ARJAWSKDSA-N 1 2 237.303 1.571 20 0 BDADLO C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ncon1 ZINC001120609458 989785284 /nfs/dbraw/zinc/78/52/84/989785284.db2.gz CLWKHSYBXFJYPF-CMPLNLGQSA-N 1 2 247.298 1.324 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@]12CCOC2 ZINC001522661983 989867461 /nfs/dbraw/zinc/86/74/61/989867461.db2.gz MEWUAHKUTCOWRW-ZDUSSCGKSA-N 1 2 249.314 1.055 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]1C(C)(C)C ZINC001120764208 989870993 /nfs/dbraw/zinc/87/09/93/989870993.db2.gz BLDHQEMPBNEUEY-NSHDSACASA-N 1 2 235.331 1.610 20 0 BDADLO CC(C)c1oncc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001120772233 989873400 /nfs/dbraw/zinc/87/34/00/989873400.db2.gz ISTLOJRHLLWEMP-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO Cc1c([C@H](C)Nc2cc(N)nc[nH+]2)cnn1C ZINC001120799044 989887861 /nfs/dbraw/zinc/88/78/61/989887861.db2.gz SJJAPMNQLSJZHE-ZETCQYMHSA-N 1 2 232.291 1.274 20 0 BDADLO O=C1CCN(c2[nH+]ccc3ccccc32)CCN1 ZINC001120812215 989894298 /nfs/dbraw/zinc/89/42/98/989894298.db2.gz MYGVMWKZDITVQC-UHFFFAOYSA-N 1 2 241.294 1.561 20 0 BDADLO Cc1cc(F)cc(N2CCn3ncnc3C2)[nH+]1 ZINC001120833600 989910661 /nfs/dbraw/zinc/91/06/61/989910661.db2.gz VHCGPXXWVCHASN-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)C[C@@H](CO)C2)[nH+]1 ZINC001120857896 989928612 /nfs/dbraw/zinc/92/86/12/989928612.db2.gz PCMYAFUIAGVJNJ-MWLCHTKSSA-N 1 2 238.306 1.984 20 0 BDADLO Nc1cc(N2CC[C@H]3OCCC[C@H]3C2)[nH+]cn1 ZINC001120911481 989960740 /nfs/dbraw/zinc/96/07/40/989960740.db2.gz UQDDGQFHGHGVDH-VHSXEESVSA-N 1 2 234.303 1.064 20 0 BDADLO CCn1ccc(C(=O)Nc2c(C)c[nH+]cc2C)n1 ZINC001121232362 990055450 /nfs/dbraw/zinc/05/54/50/990055450.db2.gz WTDZJHBTAKWPDJ-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121309314 990073703 /nfs/dbraw/zinc/07/37/03/990073703.db2.gz YPKYRFAVKWOHOU-JQWIXIFHSA-N 1 2 247.342 1.782 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@@H]1CCOC1 ZINC001527011348 990199709 /nfs/dbraw/zinc/19/97/09/990199709.db2.gz BGPYHTWRLJHYLQ-JTQLQIEISA-N 1 2 238.287 1.373 20 0 BDADLO C[C@H]([NH3+])CONC(=O)[C@@]1(C)CCc2ccccc21 ZINC001122074911 990222459 /nfs/dbraw/zinc/22/24/59/990222459.db2.gz GXISFGHDJPPOHW-HZMBPMFUSA-N 1 2 248.326 1.286 20 0 BDADLO C=C=CCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001527902353 990250735 /nfs/dbraw/zinc/25/07/35/990250735.db2.gz JRHLMQWUZJCVOO-UHFFFAOYSA-N 1 2 246.314 1.654 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001528017256 990255171 /nfs/dbraw/zinc/25/51/71/990255171.db2.gz LEHLZHSEQQQIGB-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)C[C@@H]([NH3+])C(F)F ZINC001122207207 990291557 /nfs/dbraw/zinc/29/15/57/990291557.db2.gz CLCFTOHNOVZCCO-HTQZYQBOSA-N 1 2 234.290 1.758 20 0 BDADLO CC[C@@H](F)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001529128449 990332603 /nfs/dbraw/zinc/33/26/03/990332603.db2.gz DXSDGDYHEKOCCM-SECBINFHSA-N 1 2 243.282 1.101 20 0 BDADLO Cc1nocc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001535116350 990464364 /nfs/dbraw/zinc/46/43/64/990464364.db2.gz TWJRFGNAULEFNO-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)C12CC(C1)C2 ZINC001122973992 990478312 /nfs/dbraw/zinc/47/83/12/990478312.db2.gz OHERFJFFEMFUPV-UHFFFAOYSA-N 1 2 234.299 1.696 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)COC1CC1 ZINC001123065712 990502462 /nfs/dbraw/zinc/50/24/62/990502462.db2.gz HAUNBSLEMRWKNK-UHFFFAOYSA-N 1 2 238.287 1.075 20 0 BDADLO C[C@@H](CC(=O)OC1CSC1)n1cc[nH+]c1 ZINC001123294710 990541305 /nfs/dbraw/zinc/54/13/05/990541305.db2.gz IUYMZJSPNMYDAZ-QMMMGPOBSA-N 1 2 226.301 1.493 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nn1cnc2ccccc21 ZINC001540598804 990626649 /nfs/dbraw/zinc/62/66/49/990626649.db2.gz UYIHJOQVXNKJOA-UHFFFAOYSA-N 1 2 241.254 1.072 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001542494833 990664041 /nfs/dbraw/zinc/66/40/41/990664041.db2.gz BPLITURCOSHVIH-LBPRGKRZSA-N 1 2 246.310 1.654 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001542494833 990664045 /nfs/dbraw/zinc/66/40/45/990664045.db2.gz BPLITURCOSHVIH-LBPRGKRZSA-N 1 2 246.310 1.654 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001123878224 990691991 /nfs/dbraw/zinc/69/19/91/990691991.db2.gz NWJBXCBULQVSSZ-VHSXEESVSA-N 1 2 221.304 1.267 20 0 BDADLO CCC1(C(=O)NCCc2[nH+]ccn2C)CC1 ZINC001123922041 990703929 /nfs/dbraw/zinc/70/39/29/990703929.db2.gz TZVJPQMNYQLULY-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(C(F)F)CC1 ZINC001123925206 990705204 /nfs/dbraw/zinc/70/52/04/990705204.db2.gz KKAFMVIZLBKLBR-UHFFFAOYSA-N 1 2 243.257 1.124 20 0 BDADLO CC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001123986060 990723919 /nfs/dbraw/zinc/72/39/19/990723919.db2.gz NDXVCEJSJAVUJO-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@]12CCOC2 ZINC001124104436 990752236 /nfs/dbraw/zinc/75/22/36/990752236.db2.gz GTMXMRJXDPMKLD-CYBMUJFWSA-N 1 2 249.314 1.124 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(F)F ZINC001548717784 990777976 /nfs/dbraw/zinc/77/79/76/990777976.db2.gz NVCWJOFWQGRLEQ-BQBZGAKWSA-N 1 2 231.246 1.358 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(F)F ZINC001548717784 990777978 /nfs/dbraw/zinc/77/79/78/990777978.db2.gz NVCWJOFWQGRLEQ-BQBZGAKWSA-N 1 2 231.246 1.358 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(F)F ZINC001548717789 990778735 /nfs/dbraw/zinc/77/87/35/990778735.db2.gz NVCWJOFWQGRLEQ-RQJHMYQMSA-N 1 2 231.246 1.358 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(F)F ZINC001548717789 990778736 /nfs/dbraw/zinc/77/87/36/990778736.db2.gz NVCWJOFWQGRLEQ-RQJHMYQMSA-N 1 2 231.246 1.358 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2F)C1 ZINC001137867141 990862307 /nfs/dbraw/zinc/86/23/07/990862307.db2.gz JFDJKJISGBHXEV-SECBINFHSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2F)C1 ZINC001137867141 990862309 /nfs/dbraw/zinc/86/23/09/990862309.db2.gz JFDJKJISGBHXEV-SECBINFHSA-N 1 2 231.217 1.671 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2F)C[C@@H]1O ZINC001137868637 990862769 /nfs/dbraw/zinc/86/27/69/990862769.db2.gz MKGYKVWCTUHQDU-CPCISQLKSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2F)C[C@@H]1O ZINC001137868637 990862770 /nfs/dbraw/zinc/86/27/70/990862770.db2.gz MKGYKVWCTUHQDU-CPCISQLKSA-N 1 2 245.244 1.917 20 0 BDADLO C[N@H+](Cc1cnc(N)nc1)Cc1ccccn1 ZINC001138160393 990892025 /nfs/dbraw/zinc/89/20/25/990892025.db2.gz WQRQVHYVQAXHHN-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1cnc(N)nc1)Cc1ccccn1 ZINC001138160393 990892026 /nfs/dbraw/zinc/89/20/26/990892026.db2.gz WQRQVHYVQAXHHN-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO CC/C=C(/F)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841720 990913862 /nfs/dbraw/zinc/91/38/62/990913862.db2.gz PLIZXXSGRJOQSS-QDEBKDIKSA-N 1 2 249.289 1.812 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CC(Cl)(Cl)C1 ZINC001558529906 990959186 /nfs/dbraw/zinc/95/91/86/990959186.db2.gz XPGPEOLTXALHHF-UHFFFAOYSA-N 1 2 248.113 1.405 20 0 BDADLO CCc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1O ZINC001558635956 990975841 /nfs/dbraw/zinc/97/58/41/990975841.db2.gz SGEBMYVHRXJERH-UHFFFAOYSA-N 1 2 245.282 1.859 20 0 BDADLO OCc1cc[nH+]c(NCc2nccs2)c1 ZINC001308442724 990997888 /nfs/dbraw/zinc/99/78/88/990997888.db2.gz QPRJEVULLFEEAK-UHFFFAOYSA-N 1 2 221.285 1.643 20 0 BDADLO O=c1[nH]c2cc(C[NH2+]Cc3ccon3)ccc2o1 ZINC001308511506 991015161 /nfs/dbraw/zinc/01/51/61/991015161.db2.gz BISSJKFWYJVRAT-UHFFFAOYSA-N 1 2 245.238 1.811 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cnc2[nH]ccc2c1 ZINC001138736883 991020537 /nfs/dbraw/zinc/02/05/37/991020537.db2.gz IFDBRKAIPOVYME-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cnc2[nH]ccc2c1 ZINC001138736883 991020546 /nfs/dbraw/zinc/02/05/46/991020546.db2.gz IFDBRKAIPOVYME-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO Cc1cc(CNn2cnnc2)cc(C)[nH+]1 ZINC001308541487 991028014 /nfs/dbraw/zinc/02/80/14/991028014.db2.gz WTENAPOIMCOCLO-UHFFFAOYSA-N 1 2 203.249 1.034 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)cnc2[nH]1 ZINC001138737301 991028690 /nfs/dbraw/zinc/02/86/90/991028690.db2.gz GMQNMWWKGQGLHN-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cnc2[nH]1 ZINC001138737301 991028699 /nfs/dbraw/zinc/02/86/99/991028699.db2.gz GMQNMWWKGQGLHN-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)cnc2[nH]1 ZINC001138741505 991030315 /nfs/dbraw/zinc/03/03/15/991030315.db2.gz WPJPOFDWECVNFM-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@@H]4C[C@H]3CO4)cnc2[nH]1 ZINC001138741505 991030326 /nfs/dbraw/zinc/03/03/26/991030326.db2.gz WPJPOFDWECVNFM-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO C[N@H+](Cc1cccnc1F)[C@@H]1CCOC1 ZINC001138788310 991052789 /nfs/dbraw/zinc/05/27/89/991052789.db2.gz ZGQQDDFZXZAZED-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO C[N@@H+](Cc1cccnc1F)[C@@H]1CCOC1 ZINC001138788310 991052802 /nfs/dbraw/zinc/05/28/02/991052802.db2.gz ZGQQDDFZXZAZED-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2ccnn21 ZINC001138810529 991070184 /nfs/dbraw/zinc/07/01/84/991070184.db2.gz XWIWFSPURLUMDB-AWEZNQCLSA-N 1 2 243.310 1.888 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc2ccnn21 ZINC001138810529 991070187 /nfs/dbraw/zinc/07/01/87/991070187.db2.gz XWIWFSPURLUMDB-AWEZNQCLSA-N 1 2 243.310 1.888 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138892347 991093011 /nfs/dbraw/zinc/09/30/11/991093011.db2.gz MYKRYGACZODCKS-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138892347 991093017 /nfs/dbraw/zinc/09/30/17/991093017.db2.gz MYKRYGACZODCKS-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC001308705076 991104724 /nfs/dbraw/zinc/10/47/24/991104724.db2.gz SKVOAEZJMWTYML-ZYHUDNBSSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H](C)CCSC)[C@@H](C)O ZINC001258202723 991118843 /nfs/dbraw/zinc/11/88/43/991118843.db2.gz SOQMRQXWRWMMQX-BBBLOLIVSA-N 1 2 249.376 1.030 20 0 BDADLO CCNc1ccccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC001308778668 991133510 /nfs/dbraw/zinc/13/35/10/991133510.db2.gz XYJUIGYOKJWQKQ-LLVKDONJSA-N 1 2 247.342 1.439 20 0 BDADLO CCNc1ccccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC001308778668 991133519 /nfs/dbraw/zinc/13/35/19/991133519.db2.gz XYJUIGYOKJWQKQ-LLVKDONJSA-N 1 2 247.342 1.439 20 0 BDADLO CCC1(C[N@@H+]2Cc3cncnc3C2)COC1 ZINC001202912695 991206856 /nfs/dbraw/zinc/20/68/56/991206856.db2.gz UQKLYZZDJVEVPR-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO CCC1(C[N@H+]2Cc3cncnc3C2)COC1 ZINC001202912695 991206867 /nfs/dbraw/zinc/20/68/67/991206867.db2.gz UQKLYZZDJVEVPR-UHFFFAOYSA-N 1 2 219.288 1.219 20 0 BDADLO CC(C)CCc1nnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC001258323142 991246306 /nfs/dbraw/zinc/24/63/06/991246306.db2.gz UQYIQLPINYRYCO-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)CCc1nnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC001258323142 991246316 /nfs/dbraw/zinc/24/63/16/991246316.db2.gz UQYIQLPINYRYCO-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(Cl)n2)CC[C@@H]1F ZINC001139547973 991263732 /nfs/dbraw/zinc/26/37/32/991263732.db2.gz RJKHEYJOUWNAOH-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@@H]1F ZINC001139547973 991263743 /nfs/dbraw/zinc/26/37/43/991263743.db2.gz RJKHEYJOUWNAOH-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO O=C(NCCF)c1cc(-n2cc[nH+]c2)ccc1O ZINC001139555867 991265320 /nfs/dbraw/zinc/26/53/20/991265320.db2.gz DOIXOFKAUNJWPN-UHFFFAOYSA-N 1 2 249.245 1.277 20 0 BDADLO CCNC(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001309855677 991282174 /nfs/dbraw/zinc/28/21/74/991282174.db2.gz YQAVADPJFVNELL-SNVBAGLBSA-N 1 2 236.319 1.893 20 0 BDADLO COc1ccncc1C[NH+]1CC2(CC(O)C2)C1 ZINC001139605916 991284822 /nfs/dbraw/zinc/28/48/22/991284822.db2.gz LSGTWBAAXNKXOD-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)CCC(=O)OC ZINC001258360059 991299638 /nfs/dbraw/zinc/29/96/38/991299638.db2.gz MRSUNIVPKBTDPB-NXEZZACHSA-N 1 2 245.319 1.259 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)CCC(=O)OC ZINC001258360062 991300955 /nfs/dbraw/zinc/30/09/55/991300955.db2.gz MRSUNIVPKBTDPB-ZJUUUORDSA-N 1 2 245.319 1.259 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC001559903034 991320321 /nfs/dbraw/zinc/32/03/21/991320321.db2.gz ORGKILBYOHTWPE-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC001559903034 991320327 /nfs/dbraw/zinc/32/03/27/991320327.db2.gz ORGKILBYOHTWPE-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO c1c(C[NH+]2CCSCC2)nc2cnccn12 ZINC001139695197 991327512 /nfs/dbraw/zinc/32/75/12/991327512.db2.gz DCMYBSIZXYAHJX-UHFFFAOYSA-N 1 2 234.328 1.278 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)[C@H]1CCCO1 ZINC001340811095 991330104 /nfs/dbraw/zinc/33/01/04/991330104.db2.gz WETZCSAZADSJHZ-NWDGAFQWSA-N 1 2 248.326 1.874 20 0 BDADLO c1cc2n(n1)CC[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC001560025743 991359889 /nfs/dbraw/zinc/35/98/89/991359889.db2.gz IBMCRHPDWCQSQU-ZDUSSCGKSA-N 1 2 247.342 1.800 20 0 BDADLO c1cc2n(n1)CC[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC001560025743 991359893 /nfs/dbraw/zinc/35/98/93/991359893.db2.gz IBMCRHPDWCQSQU-ZDUSSCGKSA-N 1 2 247.342 1.800 20 0 BDADLO CN(CC1CC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC001312832501 991365870 /nfs/dbraw/zinc/36/58/70/991365870.db2.gz ZKNUYXZVYUCXMA-UHFFFAOYSA-N 1 2 236.319 1.014 20 0 BDADLO CCCCC[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258438162 991374544 /nfs/dbraw/zinc/37/45/44/991374544.db2.gz MOZNSAOUIZJEPL-GRYCIOLGSA-N 1 2 245.363 1.857 20 0 BDADLO COCc1ccc(C[N@H+](C)C2COC2)s1 ZINC001139827252 991382421 /nfs/dbraw/zinc/38/24/21/991382421.db2.gz RYJHHYPFWUTEMC-UHFFFAOYSA-N 1 2 227.329 1.725 20 0 BDADLO COCc1ccc(C[N@@H+](C)C2COC2)s1 ZINC001139827252 991382430 /nfs/dbraw/zinc/38/24/30/991382430.db2.gz RYJHHYPFWUTEMC-UHFFFAOYSA-N 1 2 227.329 1.725 20 0 BDADLO Cn1ncc2ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)cc21 ZINC001139907310 991415962 /nfs/dbraw/zinc/41/59/62/991415962.db2.gz FJOGHOPWOJJLAE-BETUJISGSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1ncc2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cc21 ZINC001139907310 991415963 /nfs/dbraw/zinc/41/59/63/991415963.db2.gz FJOGHOPWOJJLAE-BETUJISGSA-N 1 2 243.310 1.546 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)nc2)C[C@@H]1F ZINC001139928847 991420050 /nfs/dbraw/zinc/42/00/50/991420050.db2.gz FSFBKFLCKBECJJ-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)nc2)C[C@@H]1F ZINC001139928847 991420054 /nfs/dbraw/zinc/42/00/54/991420054.db2.gz FSFBKFLCKBECJJ-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO COC1C[NH+](Cc2ccc3c(cnn3C)c2)C1 ZINC001139949066 991426058 /nfs/dbraw/zinc/42/60/58/991426058.db2.gz YPZOJYCJAHWWNS-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO CC(=O)C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001560239014 991435361 /nfs/dbraw/zinc/43/53/61/991435361.db2.gz CGOZPOQOASEULZ-UHFFFAOYSA-N 1 2 205.257 1.339 20 0 BDADLO CC(=O)C[N@H+]1CCc2cc(O)ccc2C1 ZINC001560239014 991435371 /nfs/dbraw/zinc/43/53/71/991435371.db2.gz CGOZPOQOASEULZ-UHFFFAOYSA-N 1 2 205.257 1.339 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cccnn2)CCO1 ZINC001139974045 991447927 /nfs/dbraw/zinc/44/79/27/991447927.db2.gz SDLLZPCICIMUGS-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cccnn2)CCO1 ZINC001139974045 991447932 /nfs/dbraw/zinc/44/79/32/991447932.db2.gz SDLLZPCICIMUGS-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO C/C=C/[C@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001139979795 991448895 /nfs/dbraw/zinc/44/88/95/991448895.db2.gz BUBHVFVNSMVZRF-PBKGFPTLSA-N 1 2 231.255 1.210 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccnnc1 ZINC001139984117 991462739 /nfs/dbraw/zinc/46/27/39/991462739.db2.gz WBQGRBGQBVKPMO-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1ccnnc1 ZINC001139984117 991462743 /nfs/dbraw/zinc/46/27/43/991462743.db2.gz WBQGRBGQBVKPMO-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2nccnc2N)C1 ZINC001140008173 991477163 /nfs/dbraw/zinc/47/71/63/991477163.db2.gz MCEHLLAMCNKMTO-IUCAKERBSA-N 1 2 224.283 1.239 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2nccnc2N)C1 ZINC001140008173 991477167 /nfs/dbraw/zinc/47/71/67/991477167.db2.gz MCEHLLAMCNKMTO-IUCAKERBSA-N 1 2 224.283 1.239 20 0 BDADLO CNc1nccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001140040379 991492888 /nfs/dbraw/zinc/49/28/88/991492888.db2.gz KHJLGDNDRUOOAU-LSJOCFKGSA-N 1 2 236.294 1.308 20 0 BDADLO CNc1nccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)n1 ZINC001140040379 991492891 /nfs/dbraw/zinc/49/28/91/991492891.db2.gz KHJLGDNDRUOOAU-LSJOCFKGSA-N 1 2 236.294 1.308 20 0 BDADLO COC(C[N@H+](C)Cc1cc(O)ccc1F)OC ZINC001140051811 991501603 /nfs/dbraw/zinc/50/16/03/991501603.db2.gz TXFAMUHMRSSQPW-UHFFFAOYSA-N 1 2 243.278 1.582 20 0 BDADLO COC(C[N@@H+](C)Cc1cc(O)ccc1F)OC ZINC001140051811 991501609 /nfs/dbraw/zinc/50/16/09/991501609.db2.gz TXFAMUHMRSSQPW-UHFFFAOYSA-N 1 2 243.278 1.582 20 0 BDADLO CN1CC2(C1)CC[N@H+](Cc1cccc(F)n1)C2 ZINC001140134593 991537104 /nfs/dbraw/zinc/53/71/04/991537104.db2.gz PVLNIQURGQEVOY-UHFFFAOYSA-N 1 2 235.306 1.358 20 0 BDADLO CN1CC2(C1)CC[N@@H+](Cc1cccc(F)n1)C2 ZINC001140134593 991537113 /nfs/dbraw/zinc/53/71/13/991537113.db2.gz PVLNIQURGQEVOY-UHFFFAOYSA-N 1 2 235.306 1.358 20 0 BDADLO Oc1ccc(C[NH2+]CCF)c(F)c1F ZINC001560796410 991602145 /nfs/dbraw/zinc/60/21/45/991602145.db2.gz YOKYSWUXICIAQM-UHFFFAOYSA-N 1 2 205.179 1.730 20 0 BDADLO CCCn1c[nH+]cc1CN1CCOC[C@@H]1C ZINC001560843907 991607367 /nfs/dbraw/zinc/60/73/67/991607367.db2.gz MXADSTQGXYQCSC-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCCN(CC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318008541 991609738 /nfs/dbraw/zinc/60/97/38/991609738.db2.gz VDUBFKZHYREAQB-SNVBAGLBSA-N 1 2 209.293 1.703 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318225753 991637111 /nfs/dbraw/zinc/63/71/11/991637111.db2.gz GXHJXYWHZDKYGJ-MNOVXSKESA-N 1 2 223.320 1.947 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCC[C@H]1C)n1cc[nH+]c1 ZINC001318278657 991641651 /nfs/dbraw/zinc/64/16/51/991641651.db2.gz JJNLKKNJGOLZEH-VWYCJHECSA-N 1 2 221.304 1.749 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1CCC2(CCC2)CC1 ZINC001140469009 991647894 /nfs/dbraw/zinc/64/78/94/991647894.db2.gz GJYRUGOMYKZQCI-UHFFFAOYSA-N 1 2 249.314 1.654 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)Cc1ccno1)C(F)F ZINC001560983389 991675642 /nfs/dbraw/zinc/67/56/42/991675642.db2.gz BBPYCHSWMITQTN-NKWVEPMBSA-N 1 2 204.220 1.849 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CC=CCC1)n1cc[nH+]c1 ZINC001318611976 991689075 /nfs/dbraw/zinc/68/90/75/991689075.db2.gz ZRSUHIKQJZQKPB-QWRGUYRKSA-N 1 2 219.288 1.669 20 0 BDADLO C[C@H](C(=O)NCCC(F)(F)F)n1cc[nH+]c1 ZINC001318752874 991709748 /nfs/dbraw/zinc/70/97/48/991709748.db2.gz QHUSTMLFZWUURO-SSDOTTSWSA-N 1 2 235.209 1.513 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NC1CCCCC1 ZINC001563433202 991751519 /nfs/dbraw/zinc/75/15/19/991751519.db2.gz ZUKJWMSNXISTTK-UHFFFAOYSA-N 1 2 248.330 1.796 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N ZINC001563977887 991756081 /nfs/dbraw/zinc/75/60/81/991756081.db2.gz LUIPBATYXULMFO-KOLCDFICSA-N 1 2 248.330 1.652 20 0 BDADLO CCC1(NC(=O)[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001319007468 991760041 /nfs/dbraw/zinc/76/00/41/991760041.db2.gz DBTQWQQRNLPJIB-SNVBAGLBSA-N 1 2 221.304 1.893 20 0 BDADLO CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001565751812 991805493 /nfs/dbraw/zinc/80/54/93/991805493.db2.gz SPKWSZDTSNSVKF-UHFFFAOYSA-N 1 2 235.331 1.909 20 0 BDADLO C[C@H](C(=O)NCc1ccc(F)cn1)n1cc[nH+]c1 ZINC001319185323 991812042 /nfs/dbraw/zinc/81/20/42/991812042.db2.gz ACBRZBFVDDFXMY-SECBINFHSA-N 1 2 248.261 1.295 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cncc(C)c1 ZINC001566190808 991829242 /nfs/dbraw/zinc/82/92/42/991829242.db2.gz HLGNNXBNMHWZRR-NSHDSACASA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cncc(C)c1 ZINC001566190808 991829253 /nfs/dbraw/zinc/82/92/53/991829253.db2.gz HLGNNXBNMHWZRR-NSHDSACASA-N 1 2 219.288 1.423 20 0 BDADLO CCC[C@H](OC)C(=O)NCc1[nH]c[nH+]c1C ZINC001566188695 991829546 /nfs/dbraw/zinc/82/95/46/991829546.db2.gz FQDQWJWRQGBIDA-JTQLQIEISA-N 1 2 225.292 1.149 20 0 BDADLO C[C@H]1CCC[C@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258819452 991838210 /nfs/dbraw/zinc/83/82/10/991838210.db2.gz QZDGYEKPSQDGRJ-UWVGGRQHSA-N 1 2 201.285 1.581 20 0 BDADLO C[C@H](C(=O)NCC1(C2CC2)CC1)n1cc[nH+]c1 ZINC001319436411 991866909 /nfs/dbraw/zinc/86/69/09/991866909.db2.gz ZBVFZCDABBOLEU-SNVBAGLBSA-N 1 2 233.315 1.751 20 0 BDADLO C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)n1cc[nH+]c1 ZINC001319570381 991896348 /nfs/dbraw/zinc/89/63/48/991896348.db2.gz STKQDSSVDSPYHK-JQWIXIFHSA-N 1 2 249.314 1.082 20 0 BDADLO CC[C@@H]([NH2+]Cc1nncn1CC)c1cnn(C)c1 ZINC001319749333 991969100 /nfs/dbraw/zinc/96/91/00/991969100.db2.gz HCHFJKJQPBNRCQ-LLVKDONJSA-N 1 2 248.334 1.272 20 0 BDADLO Cc1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)n[nH]1 ZINC001319815198 991990729 /nfs/dbraw/zinc/99/07/29/991990729.db2.gz DMDCNUABWPSXTJ-UHFFFAOYSA-N 1 2 245.330 1.821 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)c(=O)[nH]1 ZINC001320250401 992146875 /nfs/dbraw/zinc/14/68/75/992146875.db2.gz PFMMSFJPWDOJLJ-SECBINFHSA-N 1 2 246.270 1.492 20 0 BDADLO CCc1onc(C)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320272068 992152801 /nfs/dbraw/zinc/15/28/01/992152801.db2.gz MVUJDKAICQXZFS-SECBINFHSA-N 1 2 248.286 1.942 20 0 BDADLO Cc1noc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001320590798 992262042 /nfs/dbraw/zinc/26/20/42/992262042.db2.gz YZEMGNWUUBWXSW-UHFFFAOYSA-N 1 2 233.275 1.416 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001261361196 992269680 /nfs/dbraw/zinc/26/96/80/992269680.db2.gz KZQCDIVZUZEAJU-BIOMNHJASA-N 1 2 245.326 1.528 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)[C@H]1C ZINC001320633957 992279800 /nfs/dbraw/zinc/27/98/00/992279800.db2.gz RGGNYHNZGJDRJC-ONGXEEELSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@H]1C ZINC001320633957 992279816 /nfs/dbraw/zinc/27/98/16/992279816.db2.gz RGGNYHNZGJDRJC-ONGXEEELSA-N 1 2 237.303 1.102 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(C)[nH]n2)CC[C@H]1C ZINC001320629896 992283860 /nfs/dbraw/zinc/28/38/60/992283860.db2.gz KFTMLQQAMJQKTP-BXKDBHETSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(C)[nH]n2)CC[C@H]1C ZINC001320629896 992283870 /nfs/dbraw/zinc/28/38/70/992283870.db2.gz KFTMLQQAMJQKTP-BXKDBHETSA-N 1 2 223.320 1.575 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCCOCC1)n1cc[nH+]c1 ZINC001320663661 992300352 /nfs/dbraw/zinc/30/03/52/992300352.db2.gz PNKUZBGFOLZGIS-WDEREUQCSA-N 1 2 237.303 1.129 20 0 BDADLO CC[C@@]1(NC(=O)[C@@H](C)n2cc[nH+]c2)CCOC1 ZINC001320710575 992331821 /nfs/dbraw/zinc/33/18/21/992331821.db2.gz DVAHLRVJGGMKDK-ZYHUDNBSSA-N 1 2 237.303 1.129 20 0 BDADLO CC(C)(C)/C=C\C(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001569350214 992362993 /nfs/dbraw/zinc/36/29/93/992362993.db2.gz HACBZFKQERVDTE-QZPNVGJNSA-N 1 2 242.338 1.749 20 0 BDADLO CC(C)(C)/C=C\C(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001569350214 992362999 /nfs/dbraw/zinc/36/29/99/992362999.db2.gz HACBZFKQERVDTE-QZPNVGJNSA-N 1 2 242.338 1.749 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)[nH]n1 ZINC001261682973 992459641 /nfs/dbraw/zinc/45/96/41/992459641.db2.gz SJYKXWDMRZBGPW-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)[nH]n1 ZINC001261682973 992459647 /nfs/dbraw/zinc/45/96/47/992459647.db2.gz SJYKXWDMRZBGPW-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO O=C(CCc1ccon1)N[C@H]1CCn2c[nH+]cc21 ZINC001261783600 992510252 /nfs/dbraw/zinc/51/02/52/992510252.db2.gz RYLJGGYLVBKGFM-JTQLQIEISA-N 1 2 246.270 1.065 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC001321296594 992512341 /nfs/dbraw/zinc/51/23/41/992512341.db2.gz QMMRHMBOGPRHGZ-VXGBXAGGSA-N 1 2 239.315 1.610 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cn(C)nn1 ZINC001262160777 992724517 /nfs/dbraw/zinc/72/45/17/992724517.db2.gz ORQHOALTOBDUPD-ZJUUUORDSA-N 1 2 246.318 1.197 20 0 BDADLO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001262203485 992799600 /nfs/dbraw/zinc/79/96/00/992799600.db2.gz VEFXLPCOEHOLBS-PWSUYJOCSA-N 1 2 249.362 1.825 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC001262205076 992800365 /nfs/dbraw/zinc/80/03/65/992800365.db2.gz JTWNFPXDMJLMGY-VHSXEESVSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)c1ncccn1 ZINC001262258123 992822350 /nfs/dbraw/zinc/82/23/50/992822350.db2.gz ARCBYPVDRRSRBI-JTQLQIEISA-N 1 2 245.330 1.796 20 0 BDADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2ncccn2)cnn1C ZINC001262257032 992822685 /nfs/dbraw/zinc/82/26/85/992822685.db2.gz ALCAUBICCVPDEW-UWVGGRQHSA-N 1 2 245.330 1.930 20 0 BDADLO CCc1ccc(N(C)CC(C)(C)O)[nH+]c1 ZINC001262683316 993024284 /nfs/dbraw/zinc/02/42/84/993024284.db2.gz DXTQGUIPPGXUTL-UHFFFAOYSA-N 1 2 208.305 1.851 20 0 BDADLO CCc1ccc(N2CC(F)(F)C[C@@H]2CO)[nH+]c1 ZINC001262692564 993031859 /nfs/dbraw/zinc/03/18/59/993031859.db2.gz NIHLWLPNSUQNEM-SNVBAGLBSA-N 1 2 242.269 1.850 20 0 BDADLO Cc1nccnc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001262836100 993083666 /nfs/dbraw/zinc/08/36/66/993083666.db2.gz PKORUCLCJRDFQU-SECBINFHSA-N 1 2 245.286 1.571 20 0 BDADLO CC[C@H]([NH2+]CCSC(C)C)c1cn[nH]n1 ZINC001576292413 993257907 /nfs/dbraw/zinc/25/79/07/993257907.db2.gz QUSQMORBBOLTAY-VIFPVBQESA-N 1 2 228.365 1.987 20 0 BDADLO CC[C@H]([NH2+]CCSC(C)C)c1c[nH]nn1 ZINC001576292413 993257923 /nfs/dbraw/zinc/25/79/23/993257923.db2.gz QUSQMORBBOLTAY-VIFPVBQESA-N 1 2 228.365 1.987 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@H](O)C(C)C)no1 ZINC000379914869 993292306 /nfs/dbraw/zinc/29/23/06/993292306.db2.gz BGHIMDWFAYDZCJ-CBAPKCEASA-N 1 2 213.281 1.046 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000383261414 993484436 /nfs/dbraw/zinc/48/44/36/993484436.db2.gz SVFAFRIAQPCMMU-UHFFFAOYSA-N 1 2 229.283 1.212 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC1(C)CC1 ZINC001263816216 993532029 /nfs/dbraw/zinc/53/20/29/993532029.db2.gz WSLGXSNRWSQENR-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCC[C@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000389959137 993773759 /nfs/dbraw/zinc/77/37/59/993773759.db2.gz VIECXGCJXFHRIT-GXSJLCMTSA-N 1 2 215.293 1.097 20 0 BDADLO CNc1cc(N2CC3CCC2CC3)nc[nH+]1 ZINC000390229247 993778185 /nfs/dbraw/zinc/77/81/85/993778185.db2.gz CHHDNIWJCZLJHB-UHFFFAOYSA-N 1 2 218.304 1.897 20 0 BDADLO CNc1cc(N2CC3CCC2CC3)[nH+]cn1 ZINC000390229247 993778191 /nfs/dbraw/zinc/77/81/91/993778191.db2.gz CHHDNIWJCZLJHB-UHFFFAOYSA-N 1 2 218.304 1.897 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)[nH]2)cn1 ZINC000392426753 993857099 /nfs/dbraw/zinc/85/70/99/993857099.db2.gz WVTRETSVPVFTGY-BDAKNGLRSA-N 1 2 248.334 1.741 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2CCNc3ccccc32)C1 ZINC000393605839 993975710 /nfs/dbraw/zinc/97/57/10/993975710.db2.gz YZIAOXZCSIURFT-LBPRGKRZSA-N 1 2 245.326 1.016 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001316601353 994093815 /nfs/dbraw/zinc/09/38/15/994093815.db2.gz GCBPMKJCIWLJIC-NWDGAFQWSA-N 1 2 244.354 1.781 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001316601353 994093829 /nfs/dbraw/zinc/09/38/29/994093829.db2.gz GCBPMKJCIWLJIC-NWDGAFQWSA-N 1 2 244.354 1.781 20 0 BDADLO CC[NH2+][C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001281714285 994173201 /nfs/dbraw/zinc/17/32/01/994173201.db2.gz RRQTXURTLJLEOU-BQBZGAKWSA-N 1 2 244.232 1.391 20 0 BDADLO CC[NH2+][C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001281714285 994173209 /nfs/dbraw/zinc/17/32/09/994173209.db2.gz RRQTXURTLJLEOU-BQBZGAKWSA-N 1 2 244.232 1.391 20 0 BDADLO Cc1cnc(NC(=O)CCc2[nH]cc[nH+]2)o1 ZINC001334738248 994627085 /nfs/dbraw/zinc/62/70/85/994627085.db2.gz AAVANSNLPKOUPT-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001334856965 994652155 /nfs/dbraw/zinc/65/21/55/994652155.db2.gz DASWXTFBPFJEAU-OUAUKWLOSA-N 1 2 249.314 1.117 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC2(CCC2)C1 ZINC001294842900 994718929 /nfs/dbraw/zinc/71/89/29/994718929.db2.gz GXJQTGURPVVLIN-LLVKDONJSA-N 1 2 245.326 1.458 20 0 BDADLO CCC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001298412243 994925286 /nfs/dbraw/zinc/92/52/86/994925286.db2.gz NWQSRYFXFJXGFG-SNVBAGLBSA-N 1 2 239.319 1.192 20 0 BDADLO CC(=O)C1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001336510074 995049641 /nfs/dbraw/zinc/04/96/41/995049641.db2.gz DVOITHXCRBNYGM-UHFFFAOYSA-N 1 2 243.266 1.414 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302092486 995111613 /nfs/dbraw/zinc/11/16/13/995111613.db2.gz CEIPYIOEBWADKQ-SCZZXKLOSA-N 1 2 231.299 1.205 20 0 BDADLO Nc1cc(N2CCC[C@H]2[C@@H]2CCCOC2)[nH+]cn1 ZINC001337202885 995150889 /nfs/dbraw/zinc/15/08/89/995150889.db2.gz BIBRYAKKDADIAR-MNOVXSKESA-N 1 2 248.330 1.454 20 0 BDADLO COCC=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304108296 995188753 /nfs/dbraw/zinc/18/87/53/995188753.db2.gz RIQLFUDSHHHYLV-SNAWJCMRSA-N 1 2 237.303 1.352 20 0 BDADLO COC/C=C/C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304108296 995188755 /nfs/dbraw/zinc/18/87/55/995188755.db2.gz RIQLFUDSHHHYLV-SNAWJCMRSA-N 1 2 237.303 1.352 20 0 BDADLO C/C=C/[C@@H](O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304107739 995188565 /nfs/dbraw/zinc/18/85/65/995188565.db2.gz KUIWAPAKIUHHAJ-ORAHPGNNSA-N 1 2 237.303 1.086 20 0 BDADLO C/C=C/[C@@H](O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304107739 995188569 /nfs/dbraw/zinc/18/85/69/995188569.db2.gz KUIWAPAKIUHHAJ-ORAHPGNNSA-N 1 2 237.303 1.086 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001339103332 995253516 /nfs/dbraw/zinc/25/35/16/995253516.db2.gz OBIQTMDRMUHKSR-JTQLQIEISA-N 1 2 222.288 1.484 20 0 BDADLO CC(C)OC1CC([N@@H+]2CCc3cn[nH]c3C2)C1 ZINC001307603928 995414437 /nfs/dbraw/zinc/41/44/37/995414437.db2.gz LBRGJLHPQYXBES-UHFFFAOYSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)OC1CC([N@H+]2CCc3cn[nH]c3C2)C1 ZINC001307603928 995414440 /nfs/dbraw/zinc/41/44/40/995414440.db2.gz LBRGJLHPQYXBES-UHFFFAOYSA-N 1 2 235.331 1.724 20 0 BDADLO O=C(NCC[N@@H+]1CCC[C@H]1c1cc[nH]n1)C1CC1 ZINC001307723411 995444247 /nfs/dbraw/zinc/44/42/47/995444247.db2.gz DVAFZHFPZLPIJR-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO O=C(NCC[N@H+]1CCC[C@H]1c1cc[nH]n1)C1CC1 ZINC001307723411 995444251 /nfs/dbraw/zinc/44/42/51/995444251.db2.gz DVAFZHFPZLPIJR-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO COc1nscc1C[N@@H+](C)C[C@H](C)OC ZINC001307748902 995451678 /nfs/dbraw/zinc/45/16/78/995451678.db2.gz QTBMLGBSOMQGAO-QMMMGPOBSA-N 1 2 230.333 1.618 20 0 BDADLO COc1nscc1C[N@H+](C)C[C@H](C)OC ZINC001307748902 995451681 /nfs/dbraw/zinc/45/16/81/995451681.db2.gz QTBMLGBSOMQGAO-QMMMGPOBSA-N 1 2 230.333 1.618 20 0 BDADLO Cc1csc(C[N@H+](C)CCn2cnnc2)n1 ZINC001308049802 995534004 /nfs/dbraw/zinc/53/40/04/995534004.db2.gz CPPFUTMFTKMXOF-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO Cc1csc(C[N@@H+](C)CCn2cnnc2)n1 ZINC001308049802 995534012 /nfs/dbraw/zinc/53/40/12/995534012.db2.gz CPPFUTMFTKMXOF-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO C[C@H](O)[C@H](C)n1c2ccccc2[nH+]c1NCCO ZINC000268016279 538916203 /nfs/dbraw/zinc/91/62/03/538916203.db2.gz CIBVSJOFGNDFEN-UWVGGRQHSA-N 1 2 249.314 1.382 20 0 BDADLO COC(=O)C[N@H+](C)CCOCc1ccccc1 ZINC000268329577 398140981 /nfs/dbraw/zinc/14/09/81/398140981.db2.gz NERCXLGGNBANAH-UHFFFAOYSA-N 1 2 237.299 1.308 20 0 BDADLO COC(=O)C[N@@H+](C)CCOCc1ccccc1 ZINC000268329577 398140982 /nfs/dbraw/zinc/14/09/82/398140982.db2.gz NERCXLGGNBANAH-UHFFFAOYSA-N 1 2 237.299 1.308 20 0 BDADLO Cc1cc(C=C2CC[NH+]([C@@H](C)C(N)=O)CC2)no1 ZINC000368566530 177950011 /nfs/dbraw/zinc/95/00/11/177950011.db2.gz LRFWWHVVXMIJDP-JTQLQIEISA-N 1 2 249.314 1.336 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)SC)[nH+]1 ZINC000602129155 349456860 /nfs/dbraw/zinc/45/68/60/349456860.db2.gz NMNIILFSHNFQLP-MRVPVSSYSA-N 1 2 241.360 1.382 20 0 BDADLO Cn1ccnc1C[N@H+](C)Cc1cccc(N)c1 ZINC000062246941 349462410 /nfs/dbraw/zinc/46/24/10/349462410.db2.gz BBRXFTHCUPVOKK-UHFFFAOYSA-N 1 2 230.315 1.634 20 0 BDADLO Cn1ccnc1C[N@@H+](C)Cc1cccc(N)c1 ZINC000062246941 349462413 /nfs/dbraw/zinc/46/24/13/349462413.db2.gz BBRXFTHCUPVOKK-UHFFFAOYSA-N 1 2 230.315 1.634 20 0 BDADLO C[C@H](CNC(=O)Cc1ccco1)Cn1cc[nH+]c1 ZINC000268812778 538918235 /nfs/dbraw/zinc/91/82/35/538918235.db2.gz DNQDAXRRDQRNLP-LLVKDONJSA-N 1 2 247.298 1.471 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H](C)CCO)n1C1CC1 ZINC000649866957 398148034 /nfs/dbraw/zinc/14/80/34/398148034.db2.gz APAHOKKLXZSFOP-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H](C)CCO)n1C1CC1 ZINC000649866957 398148038 /nfs/dbraw/zinc/14/80/38/398148038.db2.gz APAHOKKLXZSFOP-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cs1 ZINC000309336821 178006762 /nfs/dbraw/zinc/00/67/62/178006762.db2.gz UJQFHTFEPVVGGP-SKDRFNHKSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cs1 ZINC000309336821 178006764 /nfs/dbraw/zinc/00/67/64/178006764.db2.gz UJQFHTFEPVVGGP-SKDRFNHKSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)nn1C ZINC000336696787 178007237 /nfs/dbraw/zinc/00/72/37/178007237.db2.gz GVZSGJCHIRJJRX-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)nn1C ZINC000336696787 178007239 /nfs/dbraw/zinc/00/72/39/178007239.db2.gz GVZSGJCHIRJJRX-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccnn1C ZINC000389945069 398153833 /nfs/dbraw/zinc/15/38/33/398153833.db2.gz PMOKMXZOSZHIJP-BQBZGAKWSA-N 1 2 203.236 1.724 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000649900708 398170754 /nfs/dbraw/zinc/17/07/54/398170754.db2.gz SKTHYBOZZGBXSP-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000649900708 398170758 /nfs/dbraw/zinc/17/07/58/398170758.db2.gz SKTHYBOZZGBXSP-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncccc2O)no1 ZINC000336736890 178029780 /nfs/dbraw/zinc/02/97/80/178029780.db2.gz NCDIRGDXTNQGBC-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)no1 ZINC000044693416 178031350 /nfs/dbraw/zinc/03/13/50/178031350.db2.gz VMBPQGWPEOCSNF-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccon2)ncn1 ZINC000309793673 178039188 /nfs/dbraw/zinc/03/91/88/178039188.db2.gz PTDKFMSMTLTNLH-SECBINFHSA-N 1 2 218.260 1.624 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1ncc[nH]1)C2 ZINC000649905050 398178198 /nfs/dbraw/zinc/17/81/98/398178198.db2.gz RXMOZSCTLQDFCC-VIFPVBQESA-N 1 2 213.231 1.641 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1ncc[nH]1)C2 ZINC000649905050 398178200 /nfs/dbraw/zinc/17/82/00/398178200.db2.gz RXMOZSCTLQDFCC-VIFPVBQESA-N 1 2 213.231 1.641 20 0 BDADLO Cc1cc(CSCCn2cc[nH+]c2)ncn1 ZINC000291922354 178052306 /nfs/dbraw/zinc/05/23/06/178052306.db2.gz VAYPLPBRSZKPPE-UHFFFAOYSA-N 1 2 234.328 1.915 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649908671 398183963 /nfs/dbraw/zinc/18/39/63/398183963.db2.gz UHXMMIZCKGLLER-XVKPBYJWSA-N 1 2 242.273 1.905 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649908671 398183965 /nfs/dbraw/zinc/18/39/65/398183965.db2.gz UHXMMIZCKGLLER-XVKPBYJWSA-N 1 2 242.273 1.905 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000423174155 398164448 /nfs/dbraw/zinc/16/44/48/398164448.db2.gz BLZXWQMQMWIHKJ-SCZZXKLOSA-N 1 2 241.360 1.647 20 0 BDADLO CC[C@@H]1[C@@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000450662082 398165239 /nfs/dbraw/zinc/16/52/39/398165239.db2.gz WFNBDQXSURUVQK-VXGBXAGGSA-N 1 2 247.342 1.951 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628120675 398166683 /nfs/dbraw/zinc/16/66/83/398166683.db2.gz ZAMSWNAYKODNBO-LLVKDONJSA-N 1 2 249.314 1.392 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628120675 398166685 /nfs/dbraw/zinc/16/66/85/398166685.db2.gz ZAMSWNAYKODNBO-LLVKDONJSA-N 1 2 249.314 1.392 20 0 BDADLO C[C@@H](CC(=O)N1CC=CCC1)n1cc[nH+]c1 ZINC000649912172 398186067 /nfs/dbraw/zinc/18/60/67/398186067.db2.gz YFSXUHBDVSLYHC-NSHDSACASA-N 1 2 219.288 1.623 20 0 BDADLO Cc1cc(N(C)C)nc(-c2ccncc2)[nH+]1 ZINC000027979694 178096972 /nfs/dbraw/zinc/09/69/72/178096972.db2.gz RDXHTBCNEQHVJG-UHFFFAOYSA-N 1 2 214.272 1.913 20 0 BDADLO Cc1cc(N)nc(SCCCF)[nH+]1 ZINC000132438318 178108809 /nfs/dbraw/zinc/10/88/09/178108809.db2.gz HNXDXOLFRQMAOB-UHFFFAOYSA-N 1 2 201.270 1.819 20 0 BDADLO Cc1cc(N)nc(SCC(=O)C2(C)CC2)[nH+]1 ZINC000279939630 178109984 /nfs/dbraw/zinc/10/99/84/178109984.db2.gz MBEWSARVGWJRSE-UHFFFAOYSA-N 1 2 237.328 1.829 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908818 398184742 /nfs/dbraw/zinc/18/47/42/398184742.db2.gz XKQZABVDDMKLCE-JTQLQIEISA-N 1 2 242.273 1.529 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908818 398184744 /nfs/dbraw/zinc/18/47/44/398184744.db2.gz XKQZABVDDMKLCE-JTQLQIEISA-N 1 2 242.273 1.529 20 0 BDADLO Cc1cc(N2CC(O)C2)nc(C(C)C)[nH+]1 ZINC000070838703 178112797 /nfs/dbraw/zinc/11/27/97/178112797.db2.gz FQBYOGNWZFMMQE-UHFFFAOYSA-N 1 2 207.277 1.089 20 0 BDADLO Cc1cc(N2CC[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000341467108 178117140 /nfs/dbraw/zinc/11/71/40/178117140.db2.gz AVUZDRSRYBPTBM-SNVBAGLBSA-N 1 2 219.288 1.233 20 0 BDADLO Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)nc[nH+]1 ZINC000301404937 178117199 /nfs/dbraw/zinc/11/71/99/178117199.db2.gz TUDWYCHHCGXXQY-VIFPVBQESA-N 1 2 247.220 1.289 20 0 BDADLO Cc1cc(N2CC[C@](C)(O)C2)nc(C2CC2)[nH+]1 ZINC000175061560 178119258 /nfs/dbraw/zinc/11/92/58/178119258.db2.gz LYYJGUCEIHWKKC-ZDUSSCGKSA-N 1 2 233.315 1.624 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000357660938 178120850 /nfs/dbraw/zinc/12/08/50/178120850.db2.gz QKDKRMZLIRFUIK-JOYOIKCWSA-N 1 2 247.342 1.727 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000649401572 398203659 /nfs/dbraw/zinc/20/36/59/398203659.db2.gz FHTAWWUGEXZTJU-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000649401572 398203662 /nfs/dbraw/zinc/20/36/62/398203662.db2.gz FHTAWWUGEXZTJU-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCCC1CC1 ZINC000271817882 538924719 /nfs/dbraw/zinc/92/47/19/538924719.db2.gz RSRPRRRPCJIIPO-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncn(C)n2)cc1C ZINC000092851561 398206534 /nfs/dbraw/zinc/20/65/34/398206534.db2.gz YLUZFHCRCHKXKZ-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)on1 ZINC000293054565 178133152 /nfs/dbraw/zinc/13/31/52/178133152.db2.gz RVZKJDMIUHXRMD-IONNQARKSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)on1 ZINC000293054565 178133154 /nfs/dbraw/zinc/13/31/54/178133154.db2.gz RVZKJDMIUHXRMD-IONNQARKSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)[C@@H](C)O)cc[nH+]1 ZINC000271100932 178137217 /nfs/dbraw/zinc/13/72/17/178137217.db2.gz YEIPVQBWRKNDQY-SECBINFHSA-N 1 2 237.303 1.671 20 0 BDADLO Cc1cc(NC(=O)N2CCOCC2)cc[nH+]1 ZINC000096697562 178138102 /nfs/dbraw/zinc/13/81/02/178138102.db2.gz QKCRIXBKFUFOED-UHFFFAOYSA-N 1 2 221.260 1.254 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cscn1 ZINC000188498382 398213904 /nfs/dbraw/zinc/21/39/04/398213904.db2.gz WFXZKWOKDTVCHB-MRVPVSSYSA-N 1 2 227.333 1.100 20 0 BDADLO Cc1n[nH]cc1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000274123847 178141318 /nfs/dbraw/zinc/14/13/18/178141318.db2.gz NNNFMGMPBRPDIT-UHFFFAOYSA-N 1 2 245.286 1.743 20 0 BDADLO Cc1cc(NC(=O)NC[C@H](C)CCO)cc[nH+]1 ZINC000271167361 178141348 /nfs/dbraw/zinc/14/13/48/178141348.db2.gz XHJXPUMWBVUXND-SECBINFHSA-N 1 2 237.303 1.530 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C[C@@H](O)C2(C)C)cc[nH+]1 ZINC000189256594 178142348 /nfs/dbraw/zinc/14/23/48/178142348.db2.gz MXRDSAPRYZGJFD-WDEREUQCSA-N 1 2 249.314 1.671 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cn[nH]c2)[C@H](C[NH3+])C1 ZINC000380997978 398216199 /nfs/dbraw/zinc/21/61/99/398216199.db2.gz NEVKKTYMUUHTPS-PWSUYJOCSA-N 1 2 222.336 1.011 20 0 BDADLO Cc1cc(NC[C@@H](C)C(=O)OC(C)C)nc[nH+]1 ZINC000301471187 178165580 /nfs/dbraw/zinc/16/55/80/178165580.db2.gz PEWBFNXINYNCRX-SECBINFHSA-N 1 2 237.303 1.785 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000074667927 178148746 /nfs/dbraw/zinc/14/87/46/178148746.db2.gz XDFQXAKJGKEMPY-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1cc(NCC(=O)NC2CC2)nc(C(C)C)[nH+]1 ZINC000035137390 178154608 /nfs/dbraw/zinc/15/46/08/178154608.db2.gz HJLUJUKKOYTERU-UHFFFAOYSA-N 1 2 248.330 1.599 20 0 BDADLO Cc1cc(NCC(=O)N(C)C)nc(C(C)C)[nH+]1 ZINC000035121405 178155077 /nfs/dbraw/zinc/15/50/77/178155077.db2.gz MWTPFSHHGRMTLL-UHFFFAOYSA-N 1 2 236.319 1.409 20 0 BDADLO Cc1ccc(CSCC(N)=O)c(C)[nH+]1 ZINC000413012979 398210851 /nfs/dbraw/zinc/21/08/51/398210851.db2.gz ABGJPLDRAMCSRJ-UHFFFAOYSA-N 1 2 210.302 1.417 20 0 BDADLO Cc1cc(NCCCO)nc(C(C)C)[nH+]1 ZINC000035121254 178160630 /nfs/dbraw/zinc/16/06/30/178160630.db2.gz OLJNYCZODYGQPE-UHFFFAOYSA-N 1 2 209.293 1.703 20 0 BDADLO Cc1cc(NC[C@@H](O)CC(C)C)nc[nH+]1 ZINC000225732103 178164427 /nfs/dbraw/zinc/16/44/27/178164427.db2.gz ZQOVUSSXRFZCIQ-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NC[C@@H]2CCC[C@H](CO)C2)nc[nH+]1 ZINC000310260727 178166712 /nfs/dbraw/zinc/16/67/12/178166712.db2.gz GHZOAPAHZNWSQJ-NEPJUHHUSA-N 1 2 235.331 1.996 20 0 BDADLO Cc1cc(N[C@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000052005934 178188370 /nfs/dbraw/zinc/18/83/70/178188370.db2.gz WZKRBXFYYKCEGV-VHSXEESVSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000075665183 398225785 /nfs/dbraw/zinc/22/57/85/398225785.db2.gz HWNLRKCRWKWERJ-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000075665183 398225789 /nfs/dbraw/zinc/22/57/89/398225789.db2.gz HWNLRKCRWKWERJ-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cc(NC[C@H](C)O)nc(C(C)C)[nH+]1 ZINC000035121324 178168675 /nfs/dbraw/zinc/16/86/75/178168675.db2.gz TZEMXQDQRDPLTP-VIFPVBQESA-N 1 2 209.293 1.701 20 0 BDADLO Cc1cc(NCc2cnn(C)c2)nc[nH+]1 ZINC000041054992 178174312 /nfs/dbraw/zinc/17/43/12/178174312.db2.gz PAVBYFQEVUTBNN-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1cc(NCc2ccnc(C)n2)nc[nH+]1 ZINC000040727360 178175685 /nfs/dbraw/zinc/17/56/85/178175685.db2.gz WZYFIYHEYWNDTA-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO COc1ccsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000082707792 136221996 /nfs/dbraw/zinc/22/19/96/136221996.db2.gz XDZDZHKTMPCUOO-UHFFFAOYSA-N 1 2 237.284 1.410 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000301347264 178188622 /nfs/dbraw/zinc/18/86/22/178188622.db2.gz HLYDKMBZSXKMNL-UWVGGRQHSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)nc[nH+]1 ZINC000408241675 178179958 /nfs/dbraw/zinc/17/99/58/178179958.db2.gz ZJHDJSLJASKMNB-FBIMIBRVSA-N 1 2 246.314 1.206 20 0 BDADLO Cc1cc(N[C@H](C)CC(N)=O)nc(C(C)C)[nH+]1 ZINC000122251652 178186511 /nfs/dbraw/zinc/18/65/11/178186511.db2.gz XYISQAGQVBVSDP-MRVPVSSYSA-N 1 2 236.319 1.584 20 0 BDADLO Cc1cc(N[C@H](CO)c2ccccc2)nc[nH+]1 ZINC000063001737 178187108 /nfs/dbraw/zinc/18/71/08/178187108.db2.gz QDTPMJHGADYYOG-GFCCVEGCSA-N 1 2 229.283 1.931 20 0 BDADLO Cc1cc(N(C)CC2(C)COC2)nc[nH+]1 ZINC000624528474 343987572 /nfs/dbraw/zinc/98/75/72/343987572.db2.gz XJJJAANGZVVIMX-UHFFFAOYSA-N 1 2 207.277 1.258 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000625555311 343988276 /nfs/dbraw/zinc/98/82/76/343988276.db2.gz SBRHAOMYGLCGNR-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000625555311 343988277 /nfs/dbraw/zinc/98/82/77/343988277.db2.gz SBRHAOMYGLCGNR-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CN(CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276455603 538932306 /nfs/dbraw/zinc/93/23/06/538932306.db2.gz OCKJEYTWAHEZIX-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CN(CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276455603 538932307 /nfs/dbraw/zinc/93/23/07/538932307.db2.gz OCKJEYTWAHEZIX-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)COCC(F)F ZINC000625607992 398228629 /nfs/dbraw/zinc/22/86/29/398228629.db2.gz VPXFIBFNUHZXJI-UHFFFAOYSA-N 1 2 244.241 1.286 20 0 BDADLO C[NH+](C)Cc1nc(COCc2ccccc2)no1 ZINC000278212816 538934585 /nfs/dbraw/zinc/93/45/85/538934585.db2.gz WIKMQURIKKTVMW-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1(C2CC2)CC1 ZINC000276645796 538933268 /nfs/dbraw/zinc/93/32/68/538933268.db2.gz VWWZKZBWFWYIJK-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1(C2CC2)CC1 ZINC000276645796 538933269 /nfs/dbraw/zinc/93/32/69/538933269.db2.gz VWWZKZBWFWYIJK-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2C)no1 ZINC000279708015 178228799 /nfs/dbraw/zinc/22/87/99/178228799.db2.gz XLNYENDBJKAPJL-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)CC(=O)OC)OC ZINC000602441420 349526991 /nfs/dbraw/zinc/52/69/91/349526991.db2.gz FYPDVFMFYVRZMZ-UWVGGRQHSA-N 1 2 217.309 1.152 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)CC(=O)OC)OC ZINC000602441420 349526993 /nfs/dbraw/zinc/52/69/93/349526993.db2.gz FYPDVFMFYVRZMZ-UWVGGRQHSA-N 1 2 217.309 1.152 20 0 BDADLO C[C@@H]1CSCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280202663 538937158 /nfs/dbraw/zinc/93/71/58/538937158.db2.gz QRHDRBLMOXWONL-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO C[C@@H]1CSCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280202663 538937160 /nfs/dbraw/zinc/93/71/60/538937160.db2.gz QRHDRBLMOXWONL-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO C[C@@H]1CC[C@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000629941197 361784634 /nfs/dbraw/zinc/78/46/34/361784634.db2.gz FGMYPBJYECTZHH-PWSUYJOCSA-N 1 2 231.303 1.884 20 0 BDADLO C[C@H]1CC[C@H](n2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000629941196 361784757 /nfs/dbraw/zinc/78/47/57/361784757.db2.gz FGMYPBJYECTZHH-JQWIXIFHSA-N 1 2 231.303 1.884 20 0 BDADLO C[C@@H]1CC[C@H](n2cc(C[N@H+](C)CCO)nn2)C1 ZINC000629941407 361785562 /nfs/dbraw/zinc/78/55/62/361785562.db2.gz JKKNEBYREIXIJX-PWSUYJOCSA-N 1 2 238.335 1.063 20 0 BDADLO C[C@@H]1CC[C@H](n2cc(C[N@@H+](C)CCO)nn2)C1 ZINC000629941407 361785571 /nfs/dbraw/zinc/78/55/71/361785571.db2.gz JKKNEBYREIXIJX-PWSUYJOCSA-N 1 2 238.335 1.063 20 0 BDADLO CCN(CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000280612022 538937897 /nfs/dbraw/zinc/93/78/97/538937897.db2.gz VMCLRJJYYVMOKB-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CCN(CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000280612022 538937898 /nfs/dbraw/zinc/93/78/98/538937898.db2.gz VMCLRJJYYVMOKB-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC(C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000334459467 136225757 /nfs/dbraw/zinc/22/57/57/136225757.db2.gz LPNKHPYEAGNJPB-GFCCVEGCSA-N 1 2 233.315 1.211 20 0 BDADLO C[C@H]1CCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000281446714 538939006 /nfs/dbraw/zinc/93/90/06/538939006.db2.gz CYZBYUAHHWRXRU-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H]1CCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000281446714 538939007 /nfs/dbraw/zinc/93/90/07/538939007.db2.gz CYZBYUAHHWRXRU-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO CC(C)C(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000576472647 365606071 /nfs/dbraw/zinc/60/60/71/365606071.db2.gz SZARNOSDUUQUEU-UHFFFAOYSA-N 1 2 223.320 1.893 20 0 BDADLO COC(=O)[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000095016320 398245556 /nfs/dbraw/zinc/24/55/56/398245556.db2.gz JQFSYHNSQUNSQC-PSASIEDQSA-N 1 2 235.287 1.030 20 0 BDADLO Cc1cc(CNc2ccc(CO)c[nH+]2)sn1 ZINC000381312859 398253055 /nfs/dbraw/zinc/25/30/55/398253055.db2.gz ARYNZFGNEQDQDF-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1cccnc1 ZINC000291321970 538947600 /nfs/dbraw/zinc/94/76/00/538947600.db2.gz USTWXLZVIBHJGI-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO CCN(C(=O)NCc1c[nH+]cn1C)C(C)C ZINC000290086101 538946466 /nfs/dbraw/zinc/94/64/66/538946466.db2.gz DKRSXFLOOOKILD-UHFFFAOYSA-N 1 2 224.308 1.360 20 0 BDADLO CCC[C@H](CC)NC(=O)NCc1c[nH+]cn1C ZINC000290885286 538947087 /nfs/dbraw/zinc/94/70/87/538947087.db2.gz SSLOVVZYHVTJNQ-JTQLQIEISA-N 1 2 238.335 1.798 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291469079 538947890 /nfs/dbraw/zinc/94/78/90/538947890.db2.gz OYHODBQBLWIHCW-ZJUUUORDSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000291418738 538948181 /nfs/dbraw/zinc/94/81/81/538948181.db2.gz KFWAMIMRRCNOMQ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000048369372 178393299 /nfs/dbraw/zinc/39/32/99/178393299.db2.gz ANGRCJJZSXNJDZ-UHFFFAOYSA-N 1 2 233.315 1.086 20 0 BDADLO C[C@H](CO)[N@H+](Cc1csnn1)C1CCCC1 ZINC000649468477 398268927 /nfs/dbraw/zinc/26/89/27/398268927.db2.gz HFTJNKUTFVNUFT-SECBINFHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](CO)[N@@H+](Cc1csnn1)C1CCCC1 ZINC000649468477 398268929 /nfs/dbraw/zinc/26/89/29/398268929.db2.gz HFTJNKUTFVNUFT-SECBINFHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(F)F ZINC000378857862 346847679 /nfs/dbraw/zinc/84/76/79/346847679.db2.gz LYQATJTUMYTNIF-WCBMZHEXSA-N 1 2 218.291 1.714 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)n1cc[nH+]c1 ZINC000650499763 398273778 /nfs/dbraw/zinc/27/37/78/398273778.db2.gz BETZJHHMOKFEGS-KKOKHZNYSA-N 1 2 249.314 1.270 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566673617 323009728 /nfs/dbraw/zinc/00/97/28/323009728.db2.gz TXHFCKNZDVCBAF-QMMMGPOBSA-N 1 2 249.286 1.257 20 0 BDADLO COC[C@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000180667545 538958766 /nfs/dbraw/zinc/95/87/66/538958766.db2.gz SYGWWORJHBEJKO-SSDOTTSWSA-N 1 2 242.225 1.322 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]Cc2cnnn2C)s1 ZINC000129793617 323009577 /nfs/dbraw/zinc/00/95/77/323009577.db2.gz ZTPJMBXERCRTOI-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000600154639 342692282 /nfs/dbraw/zinc/69/22/82/342692282.db2.gz FXBARACOSGZKGJ-VGDYDELISA-N 1 2 241.331 1.199 20 0 BDADLO CC(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649480184 398278122 /nfs/dbraw/zinc/27/81/22/398278122.db2.gz XDCSKPVVIQJDIP-NSHDSACASA-N 1 2 223.320 1.997 20 0 BDADLO CC(C)n1cncc1C[NH2+]Cc1ccno1 ZINC000231885125 342741680 /nfs/dbraw/zinc/74/16/80/342741680.db2.gz RWBUMZRWYVBCAN-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621315387 342778620 /nfs/dbraw/zinc/77/86/20/342778620.db2.gz DFKOJPDDFBLQJA-XPUUQOCRSA-N 1 2 245.286 1.267 20 0 BDADLO C[C@@H](NC(=O)CC1CCC1)c1[nH]cc[nH+]1 ZINC000232163879 342789428 /nfs/dbraw/zinc/78/94/28/342789428.db2.gz UJADSALDSDKDEB-MRVPVSSYSA-N 1 2 207.277 1.777 20 0 BDADLO CCc1nnc2n1CC[N@@H+](Cc1ccncc1)C2 ZINC000607753746 342789871 /nfs/dbraw/zinc/78/98/71/342789871.db2.gz SGXXJEWGFCDDSH-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCc1nnc2n1CC[N@H+](Cc1ccncc1)C2 ZINC000607753746 342789872 /nfs/dbraw/zinc/78/98/72/342789872.db2.gz SGXXJEWGFCDDSH-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CC1(F)F ZINC000618594703 342792299 /nfs/dbraw/zinc/79/22/99/342792299.db2.gz ICQXJDBFGJHERR-SNVBAGLBSA-N 1 2 243.257 1.504 20 0 BDADLO C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CC1(F)F ZINC000618594703 342792301 /nfs/dbraw/zinc/79/23/01/342792301.db2.gz ICQXJDBFGJHERR-SNVBAGLBSA-N 1 2 243.257 1.504 20 0 BDADLO CC[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580997 342796440 /nfs/dbraw/zinc/79/64/40/342796440.db2.gz OHLKWOQCRBYMFK-WDEREUQCSA-N 1 2 242.269 1.690 20 0 BDADLO C[C@@](O)(C[C@@H](O)C[N@@H+]1CCC=C(F)C1)C1CC1 ZINC000630041053 361908910 /nfs/dbraw/zinc/90/89/10/361908910.db2.gz DUBHEZCDVQFYNX-CHWSQXEVSA-N 1 2 243.322 1.458 20 0 BDADLO C[C@@](O)(C[C@@H](O)C[N@H+]1CCC=C(F)C1)C1CC1 ZINC000630041053 361908915 /nfs/dbraw/zinc/90/89/15/361908915.db2.gz DUBHEZCDVQFYNX-CHWSQXEVSA-N 1 2 243.322 1.458 20 0 BDADLO CCC(F)(F)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000623679712 398290516 /nfs/dbraw/zinc/29/05/16/398290516.db2.gz GSGGJPWGVSYLER-IUCAKERBSA-N 1 2 206.280 1.571 20 0 BDADLO Cc1cc(C)cc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634583753 342815575 /nfs/dbraw/zinc/81/55/75/342815575.db2.gz HCFMALDMDKRVIY-GFCCVEGCSA-N 1 2 243.310 1.616 20 0 BDADLO CN(c1[nH]c2ccccc2[nH+]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624689116 342820480 /nfs/dbraw/zinc/82/04/80/342820480.db2.gz SVELTFYMERMCCJ-DTORHVGOSA-N 1 2 244.298 1.263 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000348783077 136238735 /nfs/dbraw/zinc/23/87/35/136238735.db2.gz HJOVCPSITKNQHK-NSHDSACASA-N 1 2 244.285 1.881 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000348783077 136238736 /nfs/dbraw/zinc/23/87/36/136238736.db2.gz HJOVCPSITKNQHK-NSHDSACASA-N 1 2 244.285 1.881 20 0 BDADLO COCCCNc1ccc(-c2[nH+]ccn2C)cn1 ZINC000630053682 361923467 /nfs/dbraw/zinc/92/34/67/361923467.db2.gz XTLIIVZACGWHMM-UHFFFAOYSA-N 1 2 246.314 1.352 20 0 BDADLO CCC(CC)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000268437834 168395250 /nfs/dbraw/zinc/39/52/50/168395250.db2.gz GGGMFBRYANTONI-UHFFFAOYSA-N 1 2 246.318 1.845 20 0 BDADLO CCc1cc(N[C@@H]2C=C[C@H](CO)C2)nc[nH+]1 ZINC000378767515 538974155 /nfs/dbraw/zinc/97/41/55/538974155.db2.gz DLEVODZTWYQZPK-GXSJLCMTSA-N 1 2 219.288 1.388 20 0 BDADLO Cc1cccc(NCCN(C)CC(F)F)[nH+]1 ZINC000624762356 342825856 /nfs/dbraw/zinc/82/58/56/342825856.db2.gz GBZIMVJZYAOPQX-UHFFFAOYSA-N 1 2 229.274 1.999 20 0 BDADLO CCc1cc(NC[C@H]2C[C@@H](OC)C2)nc[nH+]1 ZINC000624754081 342824942 /nfs/dbraw/zinc/82/49/42/342824942.db2.gz GDLCVYCUMVIPTH-JGZJWPJOSA-N 1 2 221.304 1.298 20 0 BDADLO Cc1cc(C)c(C(=O)NCCc2[nH]cc[nH+]2)[nH]1 ZINC000348783622 136238954 /nfs/dbraw/zinc/23/89/54/136238954.db2.gz ZGPJNCGJSWNYPR-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO COc1ccc(NCC2(C)COC2)[nH+]c1 ZINC000380170117 538986761 /nfs/dbraw/zinc/98/67/61/538986761.db2.gz DGPBCJKWEGHHDE-UHFFFAOYSA-N 1 2 208.261 1.539 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)C(C1CC1)C1CC1 ZINC000188812526 538979947 /nfs/dbraw/zinc/97/99/47/538979947.db2.gz TYCRELSNQOYDJO-UHFFFAOYSA-N 1 2 247.342 1.989 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)C(C1CC1)C1CC1 ZINC000188812526 538979948 /nfs/dbraw/zinc/97/99/48/538979948.db2.gz TYCRELSNQOYDJO-UHFFFAOYSA-N 1 2 247.342 1.989 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2c[nH]nc2C)n1 ZINC000188971637 538980454 /nfs/dbraw/zinc/98/04/54/538980454.db2.gz FBCIOYQOXQLEAN-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2c[nH]nc2C)n1 ZINC000188971637 538980456 /nfs/dbraw/zinc/98/04/56/538980456.db2.gz FBCIOYQOXQLEAN-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO C/C=C/CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000624829462 342833431 /nfs/dbraw/zinc/83/34/31/342833431.db2.gz YWJVIRMJBVYTHW-PGLGOXFNSA-N 1 2 248.330 1.495 20 0 BDADLO C[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000335628589 136241135 /nfs/dbraw/zinc/24/11/35/136241135.db2.gz NLJOJISOFAAYBB-LURJTMIESA-N 1 2 245.204 1.831 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000193401613 539005919 /nfs/dbraw/zinc/00/59/19/539005919.db2.gz RNGDZVNJOCXVOK-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000193401613 539005921 /nfs/dbraw/zinc/00/59/21/539005921.db2.gz RNGDZVNJOCXVOK-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000640723595 361962205 /nfs/dbraw/zinc/96/22/05/361962205.db2.gz MASVEYGPELUCIL-BBBLOLIVSA-N 1 2 221.304 1.879 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000624865872 342835503 /nfs/dbraw/zinc/83/55/03/342835503.db2.gz ZOLFLEGUDPHSTJ-LLVKDONJSA-N 1 2 235.331 1.622 20 0 BDADLO CC(C)[C@H](NC(=O)c1cccnn1)c1[nH]cc[nH+]1 ZINC000640724478 361964391 /nfs/dbraw/zinc/96/43/91/361964391.db2.gz OTHDGWVUFNAFDN-JTQLQIEISA-N 1 2 245.286 1.327 20 0 BDADLO Cn1nccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000389920415 539018958 /nfs/dbraw/zinc/01/89/58/539018958.db2.gz QERQIMQEXGSBTL-SECBINFHSA-N 1 2 215.247 1.698 20 0 BDADLO CCc1cc(NCc2cnn(CC)c2)nc[nH+]1 ZINC000390101085 539019704 /nfs/dbraw/zinc/01/97/04/539019704.db2.gz HPIJVUOWZFRAEM-UHFFFAOYSA-N 1 2 231.303 1.289 20 0 BDADLO Cc1noc(C)c1-c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640754897 361993667 /nfs/dbraw/zinc/99/36/67/361993667.db2.gz SAHQIYBCOPHLNT-UHFFFAOYSA-N 1 2 244.258 1.321 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](OCC)C1 ZINC000042423245 361996708 /nfs/dbraw/zinc/99/67/08/361996708.db2.gz XRRXYIGMJZACLL-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OCC)C1 ZINC000042423245 361996715 /nfs/dbraw/zinc/99/67/15/361996715.db2.gz XRRXYIGMJZACLL-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCC[N@H+](CCO)Cc1noc(C2CCC2)n1 ZINC000625078267 342848212 /nfs/dbraw/zinc/84/82/12/342848212.db2.gz MDZCSBQAKJGRQP-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CCC[N@@H+](CCO)Cc1noc(C2CCC2)n1 ZINC000625078267 342848214 /nfs/dbraw/zinc/84/82/14/342848214.db2.gz MDZCSBQAKJGRQP-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC[C@H]1C1CCC1 ZINC000583992676 342852281 /nfs/dbraw/zinc/85/22/81/342852281.db2.gz YEYSBZUORZLOET-ZDUSSCGKSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000583992676 342852282 /nfs/dbraw/zinc/85/22/82/342852282.db2.gz YEYSBZUORZLOET-ZDUSSCGKSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000583992676 342852284 /nfs/dbraw/zinc/85/22/84/342852284.db2.gz YEYSBZUORZLOET-ZDUSSCGKSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnc(N(C)C)n2)on1 ZINC000631108544 342857708 /nfs/dbraw/zinc/85/77/08/342857708.db2.gz QUHRPMCNWLWFFJ-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO CC1=C(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000336475759 398319708 /nfs/dbraw/zinc/31/97/08/398319708.db2.gz WQZZAOMBVFONQK-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332997551 398315450 /nfs/dbraw/zinc/31/54/50/398315450.db2.gz AWBVKLXEHWGVPZ-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CCC(C)(C)O ZINC000562367314 323018378 /nfs/dbraw/zinc/01/83/78/323018378.db2.gz KRYXWYYYPIIPDK-UHFFFAOYSA-N 1 2 238.287 1.580 20 0 BDADLO CC[N@H+](Cc1noc(CCOC)n1)C(C)C ZINC000351479523 136246181 /nfs/dbraw/zinc/24/61/81/136246181.db2.gz RKKHSJRWCODTDU-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CC[N@@H+](Cc1noc(CCOC)n1)C(C)C ZINC000351479523 136246182 /nfs/dbraw/zinc/24/61/82/136246182.db2.gz RKKHSJRWCODTDU-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCC[C@@H]1C[C@H]1Nc1nc[nH+]c(N)c1OC ZINC000233312288 342901235 /nfs/dbraw/zinc/90/12/35/342901235.db2.gz QDYPUFWNYWUILE-HTQZYQBOSA-N 1 2 222.292 1.668 20 0 BDADLO CCC[C@@H]1C[C@H]1Nc1[nH+]cnc(N)c1OC ZINC000233312288 342901236 /nfs/dbraw/zinc/90/12/36/342901236.db2.gz QDYPUFWNYWUILE-HTQZYQBOSA-N 1 2 222.292 1.668 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCOCC12CCCCC2 ZINC000336227962 398324163 /nfs/dbraw/zinc/32/41/63/398324163.db2.gz PACJZRWUQIIWSP-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1ccnc1C[N@H+]1CCOCC12CCCCC2 ZINC000336227962 398324164 /nfs/dbraw/zinc/32/41/64/398324164.db2.gz PACJZRWUQIIWSP-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccns1 ZINC000602616248 349638068 /nfs/dbraw/zinc/63/80/68/349638068.db2.gz SPQCILTYYLZKNE-RTHLEPHNSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccns1 ZINC000602616248 349638070 /nfs/dbraw/zinc/63/80/70/349638070.db2.gz SPQCILTYYLZKNE-RTHLEPHNSA-N 1 2 232.374 1.342 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000037303283 342926827 /nfs/dbraw/zinc/92/68/27/342926827.db2.gz OPDJPHBHUDQVBZ-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO CCC[C@H](OCC)C(=O)NCc1[nH+]ccn1C ZINC000625239087 342927176 /nfs/dbraw/zinc/92/71/76/342927176.db2.gz NVEKLVNWYPKSLZ-JTQLQIEISA-N 1 2 239.319 1.242 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000351603321 136247573 /nfs/dbraw/zinc/24/75/73/136247573.db2.gz QIOXQCXBSHVFGD-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000351603321 136247574 /nfs/dbraw/zinc/24/75/74/136247574.db2.gz QIOXQCXBSHVFGD-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCSC1 ZINC000081056530 342930111 /nfs/dbraw/zinc/93/01/11/342930111.db2.gz XSHYNLYMRMBQHP-JTQLQIEISA-N 1 2 239.344 1.285 20 0 BDADLO O=C(CC1=CCCCC1)NCCn1cc[nH+]c1 ZINC000106599716 398327964 /nfs/dbraw/zinc/32/79/64/398327964.db2.gz DDKCVNDUEKLLNF-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO CC[C@]1(CO)CCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493250105 529427102 /nfs/dbraw/zinc/42/71/02/529427102.db2.gz HRRSMVXOGVNYHB-DSYXLKISSA-N 1 2 249.314 1.186 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000351628289 136249378 /nfs/dbraw/zinc/24/93/78/136249378.db2.gz JBHNDUJRRJQTQL-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000351628289 136249379 /nfs/dbraw/zinc/24/93/79/136249379.db2.gz JBHNDUJRRJQTQL-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@@H](O)CC ZINC000313092570 259330988 /nfs/dbraw/zinc/33/09/88/259330988.db2.gz JEKPMFCHDFTADA-ZJUUUORDSA-N 1 2 209.293 1.746 20 0 BDADLO CCc1cc(NC[C@]2(O)CCC[C@@H]2C)nc[nH+]1 ZINC000392925160 398336316 /nfs/dbraw/zinc/33/63/16/398336316.db2.gz HJNDZRJHFFIUAY-GXFFZTMASA-N 1 2 235.331 1.424 20 0 BDADLO CO[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120162156 398336994 /nfs/dbraw/zinc/33/69/94/398336994.db2.gz RPMKSVPYBQLJQL-UWVGGRQHSA-N 1 2 237.303 1.498 20 0 BDADLO Cc1nc(N2CC[C@@H](C)C[C@H]2C)nc(N)[nH+]1 ZINC000304540488 398337360 /nfs/dbraw/zinc/33/73/60/398337360.db2.gz VWMNHUDQMAZUEA-HTQZYQBOSA-N 1 2 221.308 1.387 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C)C[C@H]2C)[nH+]1 ZINC000304540488 398337361 /nfs/dbraw/zinc/33/73/61/398337361.db2.gz VWMNHUDQMAZUEA-HTQZYQBOSA-N 1 2 221.308 1.387 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)n1C ZINC000602677198 349669840 /nfs/dbraw/zinc/66/98/40/349669840.db2.gz VRYOYQVALWCLKJ-SECBINFHSA-N 1 2 240.278 1.356 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)n1C ZINC000602677198 349669843 /nfs/dbraw/zinc/66/98/43/349669843.db2.gz VRYOYQVALWCLKJ-SECBINFHSA-N 1 2 240.278 1.356 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580309182 346887996 /nfs/dbraw/zinc/88/79/96/346887996.db2.gz KHJNQBAGRKPVMI-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580309182 346887997 /nfs/dbraw/zinc/88/79/97/346887997.db2.gz KHJNQBAGRKPVMI-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000602683932 349675520 /nfs/dbraw/zinc/67/55/20/349675520.db2.gz YFIRIYUULSLKQV-LPEHRKFASA-N 1 2 231.361 1.810 20 0 BDADLO FC(F)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000136579066 398342852 /nfs/dbraw/zinc/34/28/52/398342852.db2.gz UUGYLZOOVRKWNZ-UHFFFAOYSA-N 1 2 238.241 1.826 20 0 BDADLO C[C@H]1CC[C@@H]2C(=O)N(CC[NH+]3CCCCC3)N=C12 ZINC000634592195 342945765 /nfs/dbraw/zinc/94/57/65/342945765.db2.gz BAADRGLDWIJMRM-RYUDHWBXSA-N 1 2 249.358 1.717 20 0 BDADLO C[C@H]1CCc2c(=O)n(CC[NH+]3CCCCC3)[nH]c21 ZINC000634592195 342945767 /nfs/dbraw/zinc/94/57/67/342945767.db2.gz BAADRGLDWIJMRM-RYUDHWBXSA-N 1 2 249.358 1.717 20 0 BDADLO CCc1cc(C)c(C(=O)NCc2[nH+]ccn2C)o1 ZINC000487642127 529524461 /nfs/dbraw/zinc/52/44/61/529524461.db2.gz ZCVVQCJVFJTQNO-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2cc(C)ns2)C1 ZINC000602691112 349688282 /nfs/dbraw/zinc/68/82/82/349688282.db2.gz CMUDEJNCCWQKGQ-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO COC1CC([N@H+](C)Cc2csnn2)C1 ZINC000348715384 536719350 /nfs/dbraw/zinc/71/93/50/536719350.db2.gz PLKODVWQHFRRLH-UHFFFAOYSA-N 1 2 213.306 1.147 20 0 BDADLO COC1CC([N@@H+](C)Cc2csnn2)C1 ZINC000348715384 536719353 /nfs/dbraw/zinc/71/93/53/536719353.db2.gz PLKODVWQHFRRLH-UHFFFAOYSA-N 1 2 213.306 1.147 20 0 BDADLO CC[C@@]1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000493526757 529528211 /nfs/dbraw/zinc/52/82/11/529528211.db2.gz WACMTWRYCAYBOK-ZFDPJTLLSA-N 1 2 249.314 1.450 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCOCC1 ZINC000492492526 529551359 /nfs/dbraw/zinc/55/13/59/529551359.db2.gz UAHHKKJIJVJUPX-SNAWJCMRSA-N 1 2 249.314 1.165 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@]1(C)CCOC1 ZINC000493569968 529561580 /nfs/dbraw/zinc/56/15/80/529561580.db2.gz WSCFRTPNQXRVEN-DSYXLKISSA-N 1 2 249.314 1.211 20 0 BDADLO Cc1ccnc([C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000309811920 342964313 /nfs/dbraw/zinc/96/43/13/342964313.db2.gz UJVNBNJERPMIBP-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CCF ZINC000492941118 529549349 /nfs/dbraw/zinc/54/93/49/529549349.db2.gz NYKKCGXADHTPNT-SNAWJCMRSA-N 1 2 225.267 1.344 20 0 BDADLO CCN(C#N)CC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000602801724 349741856 /nfs/dbraw/zinc/74/18/56/349741856.db2.gz MQNUKRQYRSMQEB-WDEREUQCSA-N 1 2 213.300 1.469 20 0 BDADLO CCN(C#N)CC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000602801724 349741857 /nfs/dbraw/zinc/74/18/57/349741857.db2.gz MQNUKRQYRSMQEB-WDEREUQCSA-N 1 2 213.300 1.469 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000602777548 349743916 /nfs/dbraw/zinc/74/39/16/349743916.db2.gz FTQLXFUAGIEWGL-MRXNPFEDSA-N 1 2 239.340 1.445 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000602777548 349743918 /nfs/dbraw/zinc/74/39/18/349743918.db2.gz FTQLXFUAGIEWGL-MRXNPFEDSA-N 1 2 239.340 1.445 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCOC ZINC000518334112 259339423 /nfs/dbraw/zinc/33/94/23/259339423.db2.gz DMJVPAYIGKCLRB-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCOC ZINC000518334112 259339425 /nfs/dbraw/zinc/33/94/25/259339425.db2.gz DMJVPAYIGKCLRB-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000602771514 349726009 /nfs/dbraw/zinc/72/60/09/349726009.db2.gz BXTLPZOIDSZXGI-JTQLQIEISA-N 1 2 243.347 1.733 20 0 BDADLO CCCCn1nnnc1C[N@H+](CC)C1CC1 ZINC000046058740 343015030 /nfs/dbraw/zinc/01/50/30/343015030.db2.gz CGKQYQXBMZXWCB-UHFFFAOYSA-N 1 2 223.324 1.458 20 0 BDADLO CCCCn1nnnc1C[N@@H+](CC)C1CC1 ZINC000046058740 343015032 /nfs/dbraw/zinc/01/50/32/343015032.db2.gz CGKQYQXBMZXWCB-UHFFFAOYSA-N 1 2 223.324 1.458 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@@H]2C)s1 ZINC000335910797 136262415 /nfs/dbraw/zinc/26/24/15/136262415.db2.gz HQMGCQUTTCIPNG-ZETCQYMHSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@@H]2C)s1 ZINC000335910797 136262416 /nfs/dbraw/zinc/26/24/16/136262416.db2.gz HQMGCQUTTCIPNG-ZETCQYMHSA-N 1 2 229.374 1.784 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H]2C[C@@H]12 ZINC000634632954 343044426 /nfs/dbraw/zinc/04/44/26/343044426.db2.gz FNTXZHXTNKCYKX-QWRGUYRKSA-N 1 2 232.287 1.127 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000169798384 343045390 /nfs/dbraw/zinc/04/53/90/343045390.db2.gz GRYJZJIEEOJTQY-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO O=C1C[C@H]2CCCC2=NN1CCCn1cc[nH+]c1 ZINC000634633607 343046113 /nfs/dbraw/zinc/04/61/13/343046113.db2.gz BOFZVDWOXFTBBX-LLVKDONJSA-N 1 2 246.314 1.662 20 0 BDADLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1nccs1 ZINC000683563827 488196901 /nfs/dbraw/zinc/19/69/01/488196901.db2.gz UKBNMXVMORVZTJ-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO COc1cncc(-c2ccc(N)[nH+]c2)c1 ZINC000122507031 343075502 /nfs/dbraw/zinc/07/55/02/343075502.db2.gz NYCOGWDQMYCAQO-UHFFFAOYSA-N 1 2 201.229 1.734 20 0 BDADLO CCCC[C@@H]([NH2+]C1CSC1)C(=O)OC ZINC000389195120 343075879 /nfs/dbraw/zinc/07/58/79/343075879.db2.gz ACWTZDMVNXVREW-SECBINFHSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1cc(NCC[C@H]2CC2(F)F)nc[nH+]1 ZINC000621345781 343108266 /nfs/dbraw/zinc/10/82/66/343108266.db2.gz WNMSQRSRQJIZQX-QMMMGPOBSA-N 1 2 213.231 1.664 20 0 BDADLO CC(C)/C=C/c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640953822 362096798 /nfs/dbraw/zinc/09/67/98/362096798.db2.gz RCWBALSQEUBCSV-SNAWJCMRSA-N 1 2 231.303 1.729 20 0 BDADLO Cc1[nH+]cccc1N[C@H]1CCCNC(=O)C1 ZINC000085726931 488202440 /nfs/dbraw/zinc/20/24/40/488202440.db2.gz UHJPGTNUEMAYKZ-JTQLQIEISA-N 1 2 219.288 1.471 20 0 BDADLO CC(C)CCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640939563 362078478 /nfs/dbraw/zinc/07/84/78/362078478.db2.gz CKHDSLDNUGAMMW-LBPRGKRZSA-N 1 2 238.335 1.375 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCSC1)n1cc[nH+]c1 ZINC000576947039 365729318 /nfs/dbraw/zinc/72/93/18/365729318.db2.gz HFWZIKHRRYYHRR-VHSXEESVSA-N 1 2 239.344 1.456 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CCCO1)c1[nH]cc[nH+]1 ZINC000125354373 343173068 /nfs/dbraw/zinc/17/30/68/343173068.db2.gz CLIRVLQTRXWSID-KCJUWKMLSA-N 1 2 223.276 1.156 20 0 BDADLO C[C@@H](NC(=O)c1cccnc1)c1[nH]cc[nH+]1 ZINC000125406145 343173374 /nfs/dbraw/zinc/17/33/74/343173374.db2.gz HFBJYNLPDYQROS-MRVPVSSYSA-N 1 2 216.244 1.296 20 0 BDADLO CCCCN(C)c1nc[nH+]c(N)c1OC ZINC000134794826 343195554 /nfs/dbraw/zinc/19/55/54/343195554.db2.gz QGGAOUWHFUKDLD-UHFFFAOYSA-N 1 2 210.281 1.304 20 0 BDADLO CCCCN(C)c1[nH+]cnc(N)c1OC ZINC000134794826 343195556 /nfs/dbraw/zinc/19/55/56/343195556.db2.gz QGGAOUWHFUKDLD-UHFFFAOYSA-N 1 2 210.281 1.304 20 0 BDADLO Cc1nn(C)cc1CNc1cc(C)[nH+]cn1 ZINC000167927344 343209398 /nfs/dbraw/zinc/20/93/98/343209398.db2.gz GTTXZMUXSUFOEB-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO O=C(CCC[NH+]1CCOCC1)c1ccccc1 ZINC000031623318 343221651 /nfs/dbraw/zinc/22/16/51/343221651.db2.gz NGGBBEAUVRBDHF-UHFFFAOYSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1nc(NCC2(CCO)CC2)cc[nH+]1 ZINC000133016859 343189854 /nfs/dbraw/zinc/18/98/54/343189854.db2.gz YAFXCEIFTSQLAA-UHFFFAOYSA-N 1 2 207.277 1.360 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1cccnc1 ZINC000134828289 343195531 /nfs/dbraw/zinc/19/55/31/343195531.db2.gz GHMMBARYDYVYRV-UHFFFAOYSA-N 1 2 245.286 1.099 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1cccnc1 ZINC000134828289 343195533 /nfs/dbraw/zinc/19/55/33/343195533.db2.gz GHMMBARYDYVYRV-UHFFFAOYSA-N 1 2 245.286 1.099 20 0 BDADLO COc1cncc(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000625316742 343231466 /nfs/dbraw/zinc/23/14/66/343231466.db2.gz IGRMEUKLOZVARJ-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO CC(C)[C@@H](CO)[NH2+]Cc1noc(C2CCC2)n1 ZINC000625309498 343232003 /nfs/dbraw/zinc/23/20/03/343232003.db2.gz HYHOAFXQUISXEF-SNVBAGLBSA-N 1 2 239.319 1.444 20 0 BDADLO CCO[C@@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000625356162 343247540 /nfs/dbraw/zinc/24/75/40/343247540.db2.gz QKMCZODUBAMCPE-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000625356162 343247542 /nfs/dbraw/zinc/24/75/42/343247542.db2.gz QKMCZODUBAMCPE-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000625356154 343247607 /nfs/dbraw/zinc/24/76/07/343247607.db2.gz PSOWGUMHAGZICD-LBPRGKRZSA-N 1 2 234.299 1.566 20 0 BDADLO CCO[C@@H](C[NH2+][C@H](C)c1ncn(C)n1)C1CC1 ZINC000625359001 343248738 /nfs/dbraw/zinc/24/87/38/343248738.db2.gz XVKSWGYFZCYKBQ-KOLCDFICSA-N 1 2 238.335 1.281 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)no1 ZINC000621364495 343274910 /nfs/dbraw/zinc/27/49/10/343274910.db2.gz HGQPGJCLNFMKQK-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)no1 ZINC000621364495 343274911 /nfs/dbraw/zinc/27/49/11/343274911.db2.gz HGQPGJCLNFMKQK-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(C(=O)C2CCC2)nn1 ZINC000641038851 362151756 /nfs/dbraw/zinc/15/17/56/362151756.db2.gz VHAKTPSMLXCGMR-UHFFFAOYSA-N 1 2 245.286 1.043 20 0 BDADLO CCC(C)(C)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641038543 362152024 /nfs/dbraw/zinc/15/20/24/362152024.db2.gz RLRJXCIKVPNQHS-UHFFFAOYSA-N 1 2 233.319 1.748 20 0 BDADLO c1nc(NC2CC2)cc(NC[C@H]2CCCO2)[nH+]1 ZINC000240832902 343281173 /nfs/dbraw/zinc/28/11/73/343281173.db2.gz BFFYIIUNYUFOKR-SNVBAGLBSA-N 1 2 234.303 1.642 20 0 BDADLO c1nc(NC[C@H]2CCCO2)cc(NC2CC2)[nH+]1 ZINC000240832902 343281174 /nfs/dbraw/zinc/28/11/74/343281174.db2.gz BFFYIIUNYUFOKR-SNVBAGLBSA-N 1 2 234.303 1.642 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccncc1 ZINC000036901568 343327063 /nfs/dbraw/zinc/32/70/63/343327063.db2.gz UXPKRKXAEKXZBB-VIFPVBQESA-N 1 2 216.288 1.964 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCC[C@H]2O)[nH+]1 ZINC000348730107 136294821 /nfs/dbraw/zinc/29/48/21/136294821.db2.gz YRFKBYKOHXSWGG-WDEREUQCSA-N 1 2 246.314 1.982 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](CO)C2)[nH+]1 ZINC000348728218 136294841 /nfs/dbraw/zinc/29/48/41/136294841.db2.gz KJGCPSFBZZOLLL-JTQLQIEISA-N 1 2 246.314 1.475 20 0 BDADLO CCC[C@H](OCC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000625371400 343359533 /nfs/dbraw/zinc/35/95/33/343359533.db2.gz NQHPKXOTBXRXAP-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC(CF)C1 ZINC000335624270 136299355 /nfs/dbraw/zinc/29/93/55/136299355.db2.gz BCXPKNJIRVMAEI-UHFFFAOYSA-N 1 2 233.246 1.376 20 0 BDADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000037967843 343363268 /nfs/dbraw/zinc/36/32/68/343363268.db2.gz GWUGWMIABAPJSS-ZDUSSCGKSA-N 1 2 233.311 1.770 20 0 BDADLO COCc1cccc(C[NH2+]Cc2csnn2)c1 ZINC000038010699 343365696 /nfs/dbraw/zinc/36/56/96/343365696.db2.gz ALLCTDFYHRHSGT-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO CC/C=C/CCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641066330 362175250 /nfs/dbraw/zinc/17/52/50/362175250.db2.gz YUDYQJYCXRXRHC-PCAWENJQSA-N 1 2 236.319 1.295 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC(C)(C)C ZINC000070650728 343338006 /nfs/dbraw/zinc/33/80/06/343338006.db2.gz PEQWQZCHDIMUEM-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)n[nH]1 ZINC000335639190 136302958 /nfs/dbraw/zinc/30/29/58/136302958.db2.gz HTNGSLCMQRCRHC-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)n[nH]1 ZINC000335639190 136302959 /nfs/dbraw/zinc/30/29/59/136302959.db2.gz HTNGSLCMQRCRHC-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000335647416 136304492 /nfs/dbraw/zinc/30/44/92/136304492.db2.gz SSXFBJZLVFJTSC-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000335647416 136304493 /nfs/dbraw/zinc/30/44/93/136304493.db2.gz SSXFBJZLVFJTSC-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1CC1=CCCC1 ZINC000641067519 362178245 /nfs/dbraw/zinc/17/82/45/362178245.db2.gz PMLJEWHFSDVCSJ-LBPRGKRZSA-N 1 2 234.303 1.049 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2c(cccc2C)[nH]1 ZINC000668788761 487535379 /nfs/dbraw/zinc/53/53/79/487535379.db2.gz LNZMXFICBVRCBP-UHFFFAOYSA-N 1 2 245.326 1.654 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2c(cccc2C)[nH]1 ZINC000668788761 487535388 /nfs/dbraw/zinc/53/53/88/487535388.db2.gz LNZMXFICBVRCBP-UHFFFAOYSA-N 1 2 245.326 1.654 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000335657369 136307020 /nfs/dbraw/zinc/30/70/20/136307020.db2.gz ZUZGXQDCSWRTJG-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000335657369 136307021 /nfs/dbraw/zinc/30/70/21/136307021.db2.gz ZUZGXQDCSWRTJG-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO FC1(F)CCC12C[NH+](Cc1cc[nH]n1)C2 ZINC000335656949 136307054 /nfs/dbraw/zinc/30/70/54/136307054.db2.gz OALQNBYQJKJXKW-UHFFFAOYSA-N 1 2 213.231 1.641 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H](C)C2)nc1 ZINC000335668654 136312078 /nfs/dbraw/zinc/31/20/78/136312078.db2.gz ZWJFNOIFLULVLR-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H](C)C2)nc1 ZINC000335668654 136312079 /nfs/dbraw/zinc/31/20/79/136312079.db2.gz ZWJFNOIFLULVLR-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335664267 136315972 /nfs/dbraw/zinc/31/59/72/136315972.db2.gz OOUYSHZMEYRRSK-WCBMZHEXSA-N 1 2 212.293 1.411 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000335664267 136315973 /nfs/dbraw/zinc/31/59/73/136315973.db2.gz OOUYSHZMEYRRSK-WCBMZHEXSA-N 1 2 212.293 1.411 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H](C2CCC2)C1 ZINC000335664556 136316433 /nfs/dbraw/zinc/31/64/33/136316433.db2.gz RMZNGAIJVRKRAP-LBPRGKRZSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1cc(NC(=O)N[C@]2(C)CCO[C@H]2C)cc[nH+]1 ZINC000335672781 136316962 /nfs/dbraw/zinc/31/69/62/136316962.db2.gz RMKZOMFTKMJJFC-GXFFZTMASA-N 1 2 249.314 1.501 20 0 BDADLO O=C(C1CCC1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367078072 136327663 /nfs/dbraw/zinc/32/76/63/136327663.db2.gz NWGNUBHGVKTVBS-ZDUSSCGKSA-N 1 2 245.326 1.355 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000631138783 343417326 /nfs/dbraw/zinc/41/73/26/343417326.db2.gz ACNTUXUTPBOMSC-OUAUKWLOSA-N 1 2 234.299 1.564 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000335734826 136350359 /nfs/dbraw/zinc/35/03/59/136350359.db2.gz VBNZFDTWBGMURQ-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCn1ncnc1C[N@H+]1CCS[C@H](C)CC1 ZINC000335734826 136350360 /nfs/dbraw/zinc/35/03/60/136350360.db2.gz VBNZFDTWBGMURQ-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccon2)C1=O ZINC000349246575 136332732 /nfs/dbraw/zinc/33/27/32/136332732.db2.gz TUCJVNMEQFDGLN-KOLCDFICSA-N 1 2 237.303 1.335 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[S@]1=O ZINC000335710459 136337303 /nfs/dbraw/zinc/33/73/03/136337303.db2.gz LTUGXGNMRSXJRE-IAQYHMDHSA-N 1 2 223.341 1.639 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[S@]1=O ZINC000335710459 136337304 /nfs/dbraw/zinc/33/73/04/136337304.db2.gz LTUGXGNMRSXJRE-IAQYHMDHSA-N 1 2 223.341 1.639 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335896155 136359122 /nfs/dbraw/zinc/35/91/22/136359122.db2.gz VDSLYSSIEQZKFK-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000335899824 136359852 /nfs/dbraw/zinc/35/98/52/136359852.db2.gz GNBNQUQRALHZAN-UWVGGRQHSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000335899824 136359853 /nfs/dbraw/zinc/35/98/53/136359853.db2.gz GNBNQUQRALHZAN-UWVGGRQHSA-N 1 2 245.244 1.870 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)C(C)C ZINC000350518813 136361904 /nfs/dbraw/zinc/36/19/04/136361904.db2.gz WDTWUAMCWQQWHE-DGCLKSJQSA-N 1 2 239.363 1.612 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(C)c2C)CC1=O ZINC000351608327 136369748 /nfs/dbraw/zinc/36/97/48/136369748.db2.gz ZJTUTVJZKCDLLV-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(C)c2C)CC1=O ZINC000351608327 136369749 /nfs/dbraw/zinc/36/97/49/136369749.db2.gz ZJTUTVJZKCDLLV-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000351605633 136369937 /nfs/dbraw/zinc/36/99/37/136369937.db2.gz PHYSOGIIGHWEIY-SECBINFHSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000351605633 136369938 /nfs/dbraw/zinc/36/99/38/136369938.db2.gz PHYSOGIIGHWEIY-SECBINFHSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000351605136 136370206 /nfs/dbraw/zinc/37/02/06/136370206.db2.gz NHRFDYNPDDXXCW-NRPADANISA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](O)[C@@H](C)C2)no1 ZINC000351605136 136370207 /nfs/dbraw/zinc/37/02/07/136370207.db2.gz NHRFDYNPDDXXCW-NRPADANISA-N 1 2 225.292 1.142 20 0 BDADLO CC(=O)CCCc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124099 362231407 /nfs/dbraw/zinc/23/14/07/362231407.db2.gz VKNORQZYZIIZMP-UHFFFAOYSA-N 1 2 247.302 1.087 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000043313971 343467526 /nfs/dbraw/zinc/46/75/26/343467526.db2.gz VIXLYGRLINMFKY-NSHDSACASA-N 1 2 221.300 1.955 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC=CC1 ZINC000616693129 343539520 /nfs/dbraw/zinc/53/95/20/343539520.db2.gz OLCSWCJAHZBERH-LLVKDONJSA-N 1 2 245.326 1.670 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000176435708 365755124 /nfs/dbraw/zinc/75/51/24/365755124.db2.gz FXWFFSUPUGMZFV-SECBINFHSA-N 1 2 227.329 1.784 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000176435708 365755129 /nfs/dbraw/zinc/75/51/29/365755129.db2.gz FXWFFSUPUGMZFV-SECBINFHSA-N 1 2 227.329 1.784 20 0 BDADLO CC(C)[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000620041281 343592017 /nfs/dbraw/zinc/59/20/17/343592017.db2.gz JGAXPINBIDTVKZ-ZDUSSCGKSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000620041281 343592019 /nfs/dbraw/zinc/59/20/19/343592019.db2.gz JGAXPINBIDTVKZ-ZDUSSCGKSA-N 1 2 235.331 1.893 20 0 BDADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000335864749 344035353 /nfs/dbraw/zinc/03/53/53/344035353.db2.gz YUTFKOSDLATHHJ-JTQLQIEISA-N 1 2 246.301 1.775 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1O ZINC000622745439 343606034 /nfs/dbraw/zinc/60/60/34/343606034.db2.gz KYGGOXZVLVOOOO-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1O ZINC000622745439 343606035 /nfs/dbraw/zinc/60/60/35/343606035.db2.gz KYGGOXZVLVOOOO-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1cccc(O)c1 ZINC000622745559 343606359 /nfs/dbraw/zinc/60/63/59/343606359.db2.gz OUTUXNLKSWWXEN-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1cccc(O)c1 ZINC000622745559 343606361 /nfs/dbraw/zinc/60/63/61/343606361.db2.gz OUTUXNLKSWWXEN-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCSC(C)C)C(C)C ZINC000379859296 343643449 /nfs/dbraw/zinc/64/34/49/343643449.db2.gz LHYNABJTFVTIBX-JTQLQIEISA-N 1 2 233.377 1.915 20 0 BDADLO Cc1nc(N2Cc3ccccc3[C@H]2C)nc(N)[nH+]1 ZINC000631139585 343626826 /nfs/dbraw/zinc/62/68/26/343626826.db2.gz KCCZQSWOTBNRHL-MRVPVSSYSA-N 1 2 241.298 1.674 20 0 BDADLO Cc1nc(N)nc(N2Cc3ccccc3[C@H]2C)[nH+]1 ZINC000631139585 343626829 /nfs/dbraw/zinc/62/68/29/343626829.db2.gz KCCZQSWOTBNRHL-MRVPVSSYSA-N 1 2 241.298 1.674 20 0 BDADLO CCc1cc(N[C@@H](COC)C2CC2)nc[nH+]1 ZINC000390474250 537795086 /nfs/dbraw/zinc/79/50/86/537795086.db2.gz KBEIPKYXJPZCSF-NSHDSACASA-N 1 2 221.304 1.876 20 0 BDADLO CC[NH2+][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602951994 349828663 /nfs/dbraw/zinc/82/86/63/349828663.db2.gz QBFCLJSZWCHEFQ-LBPRGKRZSA-N 1 2 237.299 1.389 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431884 343733125 /nfs/dbraw/zinc/73/31/25/343733125.db2.gz KGLXAOWOJTYLHA-OPRDCNLKSA-N 1 2 236.319 1.346 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431884 343733128 /nfs/dbraw/zinc/73/31/28/343733128.db2.gz KGLXAOWOJTYLHA-OPRDCNLKSA-N 1 2 236.319 1.346 20 0 BDADLO CCc1nnc(CN2CCc3[nH+]c[nH]c3C2)s1 ZINC000625434199 343735331 /nfs/dbraw/zinc/73/53/31/343735331.db2.gz IZMLIOBJIYHQMA-UHFFFAOYSA-N 1 2 249.343 1.382 20 0 BDADLO C[C@@H](c1cnccn1)N1CCc2[nH+]c[nH]c2C1 ZINC000625438344 343740014 /nfs/dbraw/zinc/74/00/14/343740014.db2.gz ZHEMFTLUCZIXTP-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO Cc1cnc([C@H](C)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000625437552 343740216 /nfs/dbraw/zinc/74/02/16/343740216.db2.gz SKCNYAKZEXJEML-VIFPVBQESA-N 1 2 232.287 1.825 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000576103430 343711463 /nfs/dbraw/zinc/71/14/63/343711463.db2.gz LLJNSLQUHZNHRY-RGOKHQFPSA-N 1 2 215.293 1.094 20 0 BDADLO COC(=O)CCCC[N@@H+]1OC2CCC1CC2 ZINC000603032678 349860537 /nfs/dbraw/zinc/86/05/37/349860537.db2.gz ULVRUBDHHUUICN-UHFFFAOYSA-N 1 2 227.304 1.888 20 0 BDADLO COC(=O)CCCC[N@H+]1OC2CCC1CC2 ZINC000603032678 349860542 /nfs/dbraw/zinc/86/05/42/349860542.db2.gz ULVRUBDHHUUICN-UHFFFAOYSA-N 1 2 227.304 1.888 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](CO)C(C)C ZINC000570410029 323058828 /nfs/dbraw/zinc/05/88/28/323058828.db2.gz NLNYKUFZTOGADR-LLVKDONJSA-N 1 2 223.320 1.192 20 0 BDADLO C/C=C\CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000624389329 343749296 /nfs/dbraw/zinc/74/92/96/343749296.db2.gz XERJUNGQVIHRAT-WBSSQXGSSA-N 1 2 222.292 1.356 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC1CC1)CC2 ZINC000624395332 343752917 /nfs/dbraw/zinc/75/29/17/343752917.db2.gz SBJFWXCYIALFJC-GFCCVEGCSA-N 1 2 247.342 1.622 20 0 BDADLO CN(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811082 529850776 /nfs/dbraw/zinc/85/07/76/529850776.db2.gz JVANAFKPLWKRAL-IHWYPQMZSA-N 1 2 215.203 1.146 20 0 BDADLO Cc1nc(N2CC[C@@H](C3CCC3)C2)nc(N)[nH+]1 ZINC000631303098 343797495 /nfs/dbraw/zinc/79/74/95/343797495.db2.gz KEQLIYDMWSRNRM-SNVBAGLBSA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C3CCC3)C2)[nH+]1 ZINC000631303098 343797498 /nfs/dbraw/zinc/79/74/98/343797498.db2.gz KEQLIYDMWSRNRM-SNVBAGLBSA-N 1 2 233.319 1.219 20 0 BDADLO Nc1cc(N2CCC(F)(F)CC2)[nH+]cn1 ZINC000405120086 343811982 /nfs/dbraw/zinc/81/19/82/343811982.db2.gz JMNMKBMNTIWQHO-UHFFFAOYSA-N 1 2 214.219 1.294 20 0 BDADLO CN(CCC1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493645109 529875525 /nfs/dbraw/zinc/87/55/25/529875525.db2.gz DSPLKOQNYKKCGZ-SNAWJCMRSA-N 1 2 219.288 1.681 20 0 BDADLO C[N@H+](CCC1CCCC1)Cc1nnc[nH]1 ZINC000174814884 529876888 /nfs/dbraw/zinc/87/68/88/529876888.db2.gz GYAUFKWKEQJMIQ-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO C[N@@H+](CCC1CCCC1)Cc1nnc[nH]1 ZINC000174814884 529876890 /nfs/dbraw/zinc/87/68/90/529876890.db2.gz GYAUFKWKEQJMIQ-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000396809506 349879040 /nfs/dbraw/zinc/87/90/40/349879040.db2.gz AZTXXWCYHLUAGT-DTWKUNHWSA-N 1 2 215.293 1.095 20 0 BDADLO CCO[C@H](C[N@@H+]1CCN(C(=O)CC)C1)C1CC1 ZINC000625483359 343881903 /nfs/dbraw/zinc/88/19/03/343881903.db2.gz DAVWQQVUYOJBMT-GFCCVEGCSA-N 1 2 240.347 1.313 20 0 BDADLO CCO[C@H](C[N@H+]1CCN(C(=O)CC)C1)C1CC1 ZINC000625483359 343881904 /nfs/dbraw/zinc/88/19/04/343881904.db2.gz DAVWQQVUYOJBMT-GFCCVEGCSA-N 1 2 240.347 1.313 20 0 BDADLO C[N@H+](CCO)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000304308896 529920537 /nfs/dbraw/zinc/92/05/37/529920537.db2.gz LDRFLHXVNVQHQI-UHFFFAOYSA-N 1 2 249.289 1.436 20 0 BDADLO C[N@@H+](CCO)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000304308896 529920538 /nfs/dbraw/zinc/92/05/38/529920538.db2.gz LDRFLHXVNVQHQI-UHFFFAOYSA-N 1 2 249.289 1.436 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ncc[nH]1 ZINC000336706194 537829374 /nfs/dbraw/zinc/82/93/74/537829374.db2.gz RLOPWJBSQJOMHW-JGVFFNPUSA-N 1 2 205.265 1.545 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)c1ccco1 ZINC000625487891 343884448 /nfs/dbraw/zinc/88/44/48/343884448.db2.gz BVUFNJVFTCEMEH-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000625488890 343884512 /nfs/dbraw/zinc/88/45/12/343884512.db2.gz IUDJEHHHOMFVNJ-LURJTMIESA-N 1 2 235.209 1.614 20 0 BDADLO CCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625498507 343887540 /nfs/dbraw/zinc/88/75/40/343887540.db2.gz ALLYMJHALUEITD-ZDUSSCGKSA-N 1 2 245.330 1.501 20 0 BDADLO CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625498507 343887541 /nfs/dbraw/zinc/88/75/41/343887541.db2.gz ALLYMJHALUEITD-ZDUSSCGKSA-N 1 2 245.330 1.501 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccccc2OC)[nH]1 ZINC000296103722 343898507 /nfs/dbraw/zinc/89/85/07/343898507.db2.gz RYLMASBETTZXQU-UHFFFAOYSA-N 1 2 246.314 1.666 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370965 347010545 /nfs/dbraw/zinc/01/05/45/347010545.db2.gz RNWQWGHVYBDHBI-HZMBPMFUSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370965 347010547 /nfs/dbraw/zinc/01/05/47/347010547.db2.gz RNWQWGHVYBDHBI-HZMBPMFUSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)Oc1cc[nH+]c(Cn2cc(CO)nn2)c1 ZINC000641205447 362269390 /nfs/dbraw/zinc/26/93/90/362269390.db2.gz VRBDXVLFUSPSPD-UHFFFAOYSA-N 1 2 248.286 1.001 20 0 BDADLO CCc1nocc1C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000590344884 347021347 /nfs/dbraw/zinc/02/13/47/347021347.db2.gz BUEGGXDFBDIWKG-NSHDSACASA-N 1 2 238.287 1.374 20 0 BDADLO CCc1nocc1C[N@H+]1CCC[C@H]1C(=O)OC ZINC000590344884 347021350 /nfs/dbraw/zinc/02/13/50/347021350.db2.gz BUEGGXDFBDIWKG-NSHDSACASA-N 1 2 238.287 1.374 20 0 BDADLO CCC(CC)(CC)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000091622839 343950711 /nfs/dbraw/zinc/95/07/11/343950711.db2.gz GINJVVWSKIJRTC-UHFFFAOYSA-N 1 2 212.297 1.569 20 0 BDADLO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ncc[nH]1 ZINC000336738954 537838355 /nfs/dbraw/zinc/83/83/55/537838355.db2.gz KSNDEJKQFHJKGU-BQBZGAKWSA-N 1 2 237.225 1.374 20 0 BDADLO CC(=O)[C@@](C)(O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625728205 344060137 /nfs/dbraw/zinc/06/01/37/344060137.db2.gz ZMTRMMKKQYKSAF-ZDUSSCGKSA-N 1 2 235.283 1.048 20 0 BDADLO CC(=O)[C@@](C)(O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625728205 344060138 /nfs/dbraw/zinc/06/01/38/344060138.db2.gz ZMTRMMKKQYKSAF-ZDUSSCGKSA-N 1 2 235.283 1.048 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2(C)COC2)s1 ZINC000625792767 344076004 /nfs/dbraw/zinc/07/60/04/344076004.db2.gz XFFFHBHQJZHIMM-UHFFFAOYSA-N 1 2 241.360 1.569 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2(C)COC2)s1 ZINC000625792767 344076006 /nfs/dbraw/zinc/07/60/06/344076006.db2.gz XFFFHBHQJZHIMM-UHFFFAOYSA-N 1 2 241.360 1.569 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000625769954 344065135 /nfs/dbraw/zinc/06/51/35/344065135.db2.gz PJINGVOXLCFING-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO Cn1cnnc1C[N@H+]1CCCC(F)(F)CC1 ZINC000625769954 344065137 /nfs/dbraw/zinc/06/51/37/344065137.db2.gz PJINGVOXLCFING-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC(F)(F)CC2)nn1 ZINC000625770775 344066475 /nfs/dbraw/zinc/06/64/75/344066475.db2.gz SJJFCAVHLMLWRM-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO Cn1cc(C[N@H+]2CCCC(F)(F)CC2)nn1 ZINC000625770775 344066476 /nfs/dbraw/zinc/06/64/76/344066476.db2.gz SJJFCAVHLMLWRM-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625770645 344066546 /nfs/dbraw/zinc/06/65/46/344066546.db2.gz MXJJQSIAMQCYGG-QMMMGPOBSA-N 1 2 245.277 1.392 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCCC(F)(F)CC1 ZINC000625770645 344066550 /nfs/dbraw/zinc/06/65/50/344066550.db2.gz MXJJQSIAMQCYGG-QMMMGPOBSA-N 1 2 245.277 1.392 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC(F)(F)CC2)[nH]1 ZINC000625771576 344066998 /nfs/dbraw/zinc/06/69/98/344066998.db2.gz HGTAAMSTOZEHJF-UHFFFAOYSA-N 1 2 230.262 1.734 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC(F)(F)CC2)[nH]1 ZINC000625771576 344066999 /nfs/dbraw/zinc/06/69/99/344066999.db2.gz HGTAAMSTOZEHJF-UHFFFAOYSA-N 1 2 230.262 1.734 20 0 BDADLO COCC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000077408587 344070629 /nfs/dbraw/zinc/07/06/29/344070629.db2.gz JRPYMSJVJGFDHO-QMMMGPOBSA-N 1 2 225.292 1.586 20 0 BDADLO COCC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000077408587 344070630 /nfs/dbraw/zinc/07/06/30/344070630.db2.gz JRPYMSJVJGFDHO-QMMMGPOBSA-N 1 2 225.292 1.586 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1nccc2occc21 ZINC000624620156 344106184 /nfs/dbraw/zinc/10/61/84/344106184.db2.gz WLKVMYLWZPZHST-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1nccc2occc21 ZINC000624620156 344106186 /nfs/dbraw/zinc/10/61/86/344106186.db2.gz WLKVMYLWZPZHST-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO Cc1cnc(NC[C@@H]2COCC[N@H+]2C)s1 ZINC000624620807 344108203 /nfs/dbraw/zinc/10/82/03/344108203.db2.gz MNBBUEGWOLIWFN-SECBINFHSA-N 1 2 227.333 1.194 20 0 BDADLO Cc1cnc(NC[C@@H]2COCC[N@@H+]2C)s1 ZINC000624620807 344108204 /nfs/dbraw/zinc/10/82/04/344108204.db2.gz MNBBUEGWOLIWFN-SECBINFHSA-N 1 2 227.333 1.194 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cocn2)CCO1 ZINC000634734881 344115320 /nfs/dbraw/zinc/11/53/20/344115320.db2.gz QUFUIVBQZYMSSR-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cocn2)CCO1 ZINC000634734881 344115323 /nfs/dbraw/zinc/11/53/23/344115323.db2.gz QUFUIVBQZYMSSR-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cocn2)CCO1 ZINC000634734880 344115339 /nfs/dbraw/zinc/11/53/39/344115339.db2.gz QUFUIVBQZYMSSR-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cocn2)CCO1 ZINC000634734880 344115342 /nfs/dbraw/zinc/11/53/42/344115342.db2.gz QUFUIVBQZYMSSR-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C(F)F)CC2)o1 ZINC000634734496 344115485 /nfs/dbraw/zinc/11/54/85/344115485.db2.gz HOVQWTAEHWPODU-VIFPVBQESA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C(F)F)CC2)o1 ZINC000634734496 344115487 /nfs/dbraw/zinc/11/54/87/344115487.db2.gz HOVQWTAEHWPODU-VIFPVBQESA-N 1 2 246.257 1.839 20 0 BDADLO CCn1ncnc1C[NH+](C1CC1)C1CC1 ZINC000625843316 344094262 /nfs/dbraw/zinc/09/42/62/344094262.db2.gz SQDIHAWDLYTOHC-UHFFFAOYSA-N 1 2 206.293 1.425 20 0 BDADLO CCCCOCCNc1cc[nH+]cc1F ZINC000641314297 362361194 /nfs/dbraw/zinc/36/11/94/362361194.db2.gz BWQOITWKVQLPFE-UHFFFAOYSA-N 1 2 212.268 1.871 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1ccc(O)cc1)C1CC1 ZINC000234572440 344151926 /nfs/dbraw/zinc/15/19/26/344151926.db2.gz JINNIPYIAYKLAW-GFCCVEGCSA-N 1 2 235.283 1.433 20 0 BDADLO O[C@@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000085682348 344208356 /nfs/dbraw/zinc/20/83/56/344208356.db2.gz QEKHZQALJSWNAN-ZDUSSCGKSA-N 1 2 229.283 1.813 20 0 BDADLO CN(C[C@@H]1CCCO1)c1cc[nH+]cc1F ZINC000641334810 362366999 /nfs/dbraw/zinc/36/69/99/362366999.db2.gz LTHNFKNREMQKIG-VIFPVBQESA-N 1 2 210.252 1.836 20 0 BDADLO Fc1c[nH+]ccc1NCC1CCOCC1 ZINC000641325068 362364962 /nfs/dbraw/zinc/36/49/62/362364962.db2.gz XNKDJYFTDXGPNN-UHFFFAOYSA-N 1 2 210.252 1.481 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC1CC1)CC2 ZINC000625871335 344250534 /nfs/dbraw/zinc/25/05/34/344250534.db2.gz CULMTOHGRNRPNB-GFCCVEGCSA-N 1 2 247.342 1.670 20 0 BDADLO CN(C[C@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493324296 529966864 /nfs/dbraw/zinc/96/68/64/529966864.db2.gz PVSDUERDXDFHFE-ORAHPGNNSA-N 1 2 235.287 1.060 20 0 BDADLO CC(=O)CSCc1ccc(N(C)C)[nH+]c1 ZINC000600534993 344262197 /nfs/dbraw/zinc/26/21/97/344262197.db2.gz JDAHQBUPPBGWGX-UHFFFAOYSA-N 1 2 224.329 1.970 20 0 BDADLO CCC[C@@H](CCO)Nc1nc[nH+]c(N)c1Cl ZINC000631427066 344268902 /nfs/dbraw/zinc/26/89/02/344268902.db2.gz MAOVAMDHRYJEID-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO CCC[C@@H](CCO)Nc1[nH+]cnc(N)c1Cl ZINC000631427066 344268904 /nfs/dbraw/zinc/26/89/04/344268904.db2.gz MAOVAMDHRYJEID-ZETCQYMHSA-N 1 2 244.726 1.675 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCCOC2)c1 ZINC000641360783 362376003 /nfs/dbraw/zinc/37/60/03/362376003.db2.gz XUYFPCPMCLUARD-SNVBAGLBSA-N 1 2 208.261 1.165 20 0 BDADLO Fc1c[nH+]ccc1NCCOCC1CC1 ZINC000641365566 362378706 /nfs/dbraw/zinc/37/87/06/362378706.db2.gz YVLKKXNVSZJSOV-UHFFFAOYSA-N 1 2 210.252 1.481 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634781764 344323090 /nfs/dbraw/zinc/32/30/90/344323090.db2.gz NMXODXGCLXCOJL-AOOOYVTPSA-N 1 2 237.303 1.271 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634781764 344323094 /nfs/dbraw/zinc/32/30/94/344323094.db2.gz NMXODXGCLXCOJL-AOOOYVTPSA-N 1 2 237.303 1.271 20 0 BDADLO CCN(CC(C)(C)O)c1cc[nH+]cc1F ZINC000641377779 362383622 /nfs/dbraw/zinc/38/36/22/362383622.db2.gz ZKRVKRHNRKWXGM-UHFFFAOYSA-N 1 2 212.268 1.818 20 0 BDADLO CCC(CC)[C@H](O)CNc1cc[nH+]cc1F ZINC000641371055 362380427 /nfs/dbraw/zinc/38/04/27/362380427.db2.gz PMPJGJFILMECNM-GFCCVEGCSA-N 1 2 226.295 1.852 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000092617319 344299842 /nfs/dbraw/zinc/29/98/42/344299842.db2.gz HTAGHIPFBSKEEP-LLVKDONJSA-N 1 2 244.298 1.630 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000092617319 344299845 /nfs/dbraw/zinc/29/98/45/344299845.db2.gz HTAGHIPFBSKEEP-LLVKDONJSA-N 1 2 244.298 1.630 20 0 BDADLO CC(C)[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641389531 362388199 /nfs/dbraw/zinc/38/81/99/362388199.db2.gz FVBRCKGHLFUQMR-SNVBAGLBSA-N 1 2 210.277 1.003 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccc(Cl)o2)c[nH+]1 ZINC000600936964 344399962 /nfs/dbraw/zinc/39/99/62/344399962.db2.gz KGPOYCHIEOSCHE-UHFFFAOYSA-N 1 2 239.662 1.895 20 0 BDADLO CC1(C)[C@H](Nc2cc(CO)cc[nH+]2)[C@H]2CCO[C@H]21 ZINC000641390846 362389802 /nfs/dbraw/zinc/38/98/02/362389802.db2.gz IWGKGFXDZJNBBP-RAIGVLPGSA-N 1 2 248.326 1.799 20 0 BDADLO C[C@H](CCO)SCCCn1cc[nH+]c1 ZINC000085146822 344504846 /nfs/dbraw/zinc/50/48/46/344504846.db2.gz SSAUAPDYTWJSIW-SNVBAGLBSA-N 1 2 214.334 1.777 20 0 BDADLO C[C@H](CCO)SCc1ccc[nH+]c1N ZINC000085155651 344504963 /nfs/dbraw/zinc/50/49/63/344504963.db2.gz RFZXHZUKWQUXMU-MRVPVSSYSA-N 1 2 212.318 1.668 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCC[C@@H]2O)c1 ZINC000641403577 362396490 /nfs/dbraw/zinc/39/64/90/362396490.db2.gz OPNTYRZPJKQOLY-MNOVXSKESA-N 1 2 222.288 1.147 20 0 BDADLO CC1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000622238984 344465214 /nfs/dbraw/zinc/46/52/14/344465214.db2.gz LCLXQDRVWMJEHC-MCIGGMRASA-N 1 2 247.342 1.608 20 0 BDADLO CCc1noc(C[N@H+](CC)C[C@@H]2CCCO2)n1 ZINC000622910695 344478190 /nfs/dbraw/zinc/47/81/90/344478190.db2.gz OHAKUUWFSZSNLN-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@@H+](CC)C[C@@H]2CCCO2)n1 ZINC000622910695 344478191 /nfs/dbraw/zinc/47/81/91/344478191.db2.gz OHAKUUWFSZSNLN-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1cc(NC[C@@H](C)CCO)nc[nH+]1 ZINC000085132189 344501672 /nfs/dbraw/zinc/50/16/72/344501672.db2.gz RLJNYIDTBRAWMJ-VIFPVBQESA-N 1 2 209.293 1.469 20 0 BDADLO CCc1cc(NCc2ccoc2C)nc[nH+]1 ZINC000381481216 344511610 /nfs/dbraw/zinc/51/16/10/344511610.db2.gz SRGXRNGQBZYIBE-UHFFFAOYSA-N 1 2 217.272 1.974 20 0 BDADLO CC[C@H](C[C@H](C)CO)Nc1cc[nH+]cc1F ZINC000641411517 362402214 /nfs/dbraw/zinc/40/22/14/362402214.db2.gz WMDYKQYPEYKXDX-VHSXEESVSA-N 1 2 226.295 1.852 20 0 BDADLO COc1ccc(O)c(NC(=O)Cn2cc[nH+]c2)c1 ZINC000559804693 344532883 /nfs/dbraw/zinc/53/28/83/344532883.db2.gz RIBHFFRTZLHQNC-UHFFFAOYSA-N 1 2 247.254 1.236 20 0 BDADLO COC[C@](C)(O)CNc1[nH+]ccc(C)c1Cl ZINC000309665365 259376983 /nfs/dbraw/zinc/37/69/83/259376983.db2.gz TTZBBOUJZPLSOL-LLVKDONJSA-N 1 2 244.722 1.853 20 0 BDADLO Nc1[nH+]cccc1CSc1nncn1C1CC1 ZINC000641437836 362418961 /nfs/dbraw/zinc/41/89/61/362418961.db2.gz MXQJMHYYXOOLFD-UHFFFAOYSA-N 1 2 247.327 1.883 20 0 BDADLO Nc1[nH+]cccc1CSc1nnc(C2CC2)[nH]1 ZINC000641440932 362421321 /nfs/dbraw/zinc/42/13/21/362421321.db2.gz YLYTYIJCBGBLSP-UHFFFAOYSA-N 1 2 247.327 1.952 20 0 BDADLO Nc1[nH+]cccc1CSc1nc(C2CC2)n[nH]1 ZINC000641440932 362421324 /nfs/dbraw/zinc/42/13/24/362421324.db2.gz YLYTYIJCBGBLSP-UHFFFAOYSA-N 1 2 247.327 1.952 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1cc[nH+]cc1F ZINC000641443955 362421910 /nfs/dbraw/zinc/42/19/10/362421910.db2.gz NWVZYJDWHVLOQM-BDAKNGLRSA-N 1 2 210.252 1.834 20 0 BDADLO COCC1(O)CCN(c2cc[nH+]cc2F)CC1 ZINC000641463685 362434293 /nfs/dbraw/zinc/43/42/93/362434293.db2.gz JWLAMETVJMOEOE-UHFFFAOYSA-N 1 2 240.278 1.198 20 0 BDADLO CC(C)C(=O)NCCCNc1cc[nH+]cc1F ZINC000641462191 362436516 /nfs/dbraw/zinc/43/65/16/362436516.db2.gz CEQMZTAVFPFWJR-UHFFFAOYSA-N 1 2 239.294 1.217 20 0 BDADLO C[C@]1(O)CCCN(c2cc[nH+]cc2F)C1 ZINC000641471225 362439166 /nfs/dbraw/zinc/43/91/66/362439166.db2.gz KJGRGLRSOQIEBK-NSHDSACASA-N 1 2 210.252 1.572 20 0 BDADLO C[C@H]1C[C@@H](CNc2cc[nH+]cc2F)CCO1 ZINC000641477830 362445897 /nfs/dbraw/zinc/44/58/97/362445897.db2.gz LVAZPGZCMFMKBI-UWVGGRQHSA-N 1 2 224.279 1.870 20 0 BDADLO C[N@H+](CCO)Cc1csc(C(C)(C)C)n1 ZINC000047953356 344581431 /nfs/dbraw/zinc/58/14/31/344581431.db2.gz BMMXRHLHMLEQPV-UHFFFAOYSA-N 1 2 228.361 1.865 20 0 BDADLO C[N@@H+](CCO)Cc1csc(C(C)(C)C)n1 ZINC000047953356 344581432 /nfs/dbraw/zinc/58/14/32/344581432.db2.gz BMMXRHLHMLEQPV-UHFFFAOYSA-N 1 2 228.361 1.865 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(F)F)CC2 ZINC000625948110 344583539 /nfs/dbraw/zinc/58/35/39/344583539.db2.gz QMADSPRBTLOFSZ-QMMMGPOBSA-N 1 2 243.257 1.135 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573980396 344586626 /nfs/dbraw/zinc/58/66/26/344586626.db2.gz VYKPNTUUQPWZHO-UWVGGRQHSA-N 1 2 223.320 1.845 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573980396 344586628 /nfs/dbraw/zinc/58/66/28/344586628.db2.gz VYKPNTUUQPWZHO-UWVGGRQHSA-N 1 2 223.320 1.845 20 0 BDADLO Fc1c[nH+]ccc1NCCCO[C@H]1CCOC1 ZINC000641433216 362416097 /nfs/dbraw/zinc/41/60/97/362416097.db2.gz SWRZIVMOSNKSGT-JTQLQIEISA-N 1 2 240.278 1.250 20 0 BDADLO OCc1ccnc(NCCCCn2cc[nH+]c2)c1 ZINC000641478547 362447143 /nfs/dbraw/zinc/44/71/43/362447143.db2.gz HMZDAWVSGGBOOX-UHFFFAOYSA-N 1 2 246.314 1.085 20 0 BDADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)C[C@H]1F ZINC000641483396 362451115 /nfs/dbraw/zinc/45/11/15/362451115.db2.gz NYPACFTXIPERTL-GXSJLCMTSA-N 1 2 224.279 1.758 20 0 BDADLO OCc1cc[nH+]c(N2CCOCC3(CC3)C2)c1 ZINC000641485354 362453586 /nfs/dbraw/zinc/45/35/86/362453586.db2.gz FGHXBXCYQDRIHN-UHFFFAOYSA-N 1 2 234.299 1.191 20 0 BDADLO OCc1cc[nH+]c(NCC2(CO)CCC2)c1 ZINC000641487319 362455259 /nfs/dbraw/zinc/45/52/59/362455259.db2.gz NXCQPLZYGHSIEF-UHFFFAOYSA-N 1 2 222.288 1.148 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1cc[nH+]cc1F ZINC000641504575 362468313 /nfs/dbraw/zinc/46/83/13/362468313.db2.gz ZAKQNYFKYIMOOO-VHSXEESVSA-N 1 2 210.252 1.214 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641537623 362487681 /nfs/dbraw/zinc/48/76/81/362487681.db2.gz OIIQFHCNRKSMNW-WPRPVWTQSA-N 1 2 210.252 1.480 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CCF)C2)n1 ZINC000626002443 344662929 /nfs/dbraw/zinc/66/29/29/344662929.db2.gz NKMZBHJEYSYMOK-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@H](CCF)C2)n1 ZINC000626002443 344662931 /nfs/dbraw/zinc/66/29/31/344662931.db2.gz NKMZBHJEYSYMOK-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626006224 344664163 /nfs/dbraw/zinc/66/41/63/344664163.db2.gz TVQYMHVWYXEPAX-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626006224 344664166 /nfs/dbraw/zinc/66/41/66/344664166.db2.gz TVQYMHVWYXEPAX-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Nc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccn1 ZINC000626005081 344666932 /nfs/dbraw/zinc/66/69/32/344666932.db2.gz VABFKTNOKMEGHV-NSHDSACASA-N 1 2 239.294 1.055 20 0 BDADLO Nc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ccn1 ZINC000626005081 344666934 /nfs/dbraw/zinc/66/69/34/344666934.db2.gz VABFKTNOKMEGHV-NSHDSACASA-N 1 2 239.294 1.055 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018525 344674374 /nfs/dbraw/zinc/67/43/74/344674374.db2.gz KIDJLFAZVRZVEY-VGMNWLOBSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018525 344674377 /nfs/dbraw/zinc/67/43/77/344674377.db2.gz KIDJLFAZVRZVEY-VGMNWLOBSA-N 1 2 241.253 1.673 20 0 BDADLO CN(Cc1ccon1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866589 530013427 /nfs/dbraw/zinc/01/34/27/530013427.db2.gz QLIIAJDWZWXXSA-NSCUHMNNSA-N 1 2 232.243 1.070 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000577864829 344637387 /nfs/dbraw/zinc/63/73/87/344637387.db2.gz WBQDPZQQRGWWAJ-MXWKQRLJSA-N 1 2 249.314 1.087 20 0 BDADLO CCc1cc(N(C)C[C@@H](C)C(=O)OC)nc[nH+]1 ZINC000050087717 344640393 /nfs/dbraw/zinc/64/03/93/344640393.db2.gz DIUXHBKFRKJYGI-SECBINFHSA-N 1 2 237.303 1.284 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CC(C)(C)C1 ZINC000620738526 344683725 /nfs/dbraw/zinc/68/37/25/344683725.db2.gz IMGYHXVGLWSRAY-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@H]1C[C@@H](O)C1 ZINC000626044299 344695474 /nfs/dbraw/zinc/69/54/74/344695474.db2.gz YTDGKOCFCVCRAV-WAAGHKOSSA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@H]1C[C@@H](O)C1 ZINC000626044299 344695476 /nfs/dbraw/zinc/69/54/76/344695476.db2.gz YTDGKOCFCVCRAV-WAAGHKOSSA-N 1 2 237.303 1.150 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CC(C)(C)C1 ZINC000620744281 344696030 /nfs/dbraw/zinc/69/60/30/344696030.db2.gz YZBRQGHPCGXHOI-UHFFFAOYSA-N 1 2 221.304 1.267 20 0 BDADLO CO[C@H](CNc1cc[nH+]c(C)n1)C(C)C ZINC000075062666 344764123 /nfs/dbraw/zinc/76/41/23/344764123.db2.gz RTLQRLKFPZMKIY-SNVBAGLBSA-N 1 2 209.293 1.868 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC1(F)F ZINC000623034547 347070657 /nfs/dbraw/zinc/07/06/57/347070657.db2.gz WRVLRABICKJQHV-QMMMGPOBSA-N 1 2 243.257 1.422 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC[C@H]1CC1(F)F ZINC000623034547 347070659 /nfs/dbraw/zinc/07/06/59/347070659.db2.gz WRVLRABICKJQHV-QMMMGPOBSA-N 1 2 243.257 1.422 20 0 BDADLO CCc1noc([C@H](C)[NH+]2CCC(C)(O)CC2)n1 ZINC000177303942 323077205 /nfs/dbraw/zinc/07/72/05/323077205.db2.gz FIIRKHZOISEXAD-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO O=C(NC1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075959466 344789111 /nfs/dbraw/zinc/78/91/11/344789111.db2.gz QSSFEMFKSFRZKC-VIFPVBQESA-N 1 2 234.303 1.461 20 0 BDADLO CCc1cnc(C[N@H+](C)CC[C@H](C)O)o1 ZINC000075782398 344791856 /nfs/dbraw/zinc/79/18/56/344791856.db2.gz VMLLIKZKOMUSMV-VIFPVBQESA-N 1 2 212.293 1.440 20 0 BDADLO CCc1cnc(C[N@@H+](C)CC[C@H](C)O)o1 ZINC000075782398 344791857 /nfs/dbraw/zinc/79/18/57/344791857.db2.gz VMLLIKZKOMUSMV-VIFPVBQESA-N 1 2 212.293 1.440 20 0 BDADLO CCOc1nnc(C[N@H+](C)CC[C@H](C)O)s1 ZINC000075783370 344791898 /nfs/dbraw/zinc/79/18/98/344791898.db2.gz JEFVOQKAAKPPRL-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)CC[C@H](C)O)s1 ZINC000075783370 344791900 /nfs/dbraw/zinc/79/19/00/344791900.db2.gz JEFVOQKAAKPPRL-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)o1 ZINC000628140378 344805677 /nfs/dbraw/zinc/80/56/77/344805677.db2.gz ITXJNKOCPKVNHG-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)o1 ZINC000628140378 344805679 /nfs/dbraw/zinc/80/56/79/344805679.db2.gz ITXJNKOCPKVNHG-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000628144814 344814883 /nfs/dbraw/zinc/81/48/83/344814883.db2.gz UDBFICKDWMSTGW-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000628144814 344814884 /nfs/dbraw/zinc/81/48/84/344814884.db2.gz UDBFICKDWMSTGW-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO OCCCSc1cc(-n2cc[nH+]c2)ncn1 ZINC000631439067 344815060 /nfs/dbraw/zinc/81/50/60/344815060.db2.gz GUSKWFGJQNDSGD-UHFFFAOYSA-N 1 2 236.300 1.137 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1cnc(C)o1 ZINC000628152801 344841745 /nfs/dbraw/zinc/84/17/45/344841745.db2.gz OVYNUBMCNKIKPP-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cnc(C)o1 ZINC000628152801 344841747 /nfs/dbraw/zinc/84/17/47/344841747.db2.gz OVYNUBMCNKIKPP-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000077637727 344824624 /nfs/dbraw/zinc/82/46/24/344824624.db2.gz RRDPZFKVXFGEEF-UHFFFAOYSA-N 1 2 218.260 1.072 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cnccn2)[nH+]1 ZINC000628156256 344847719 /nfs/dbraw/zinc/84/77/19/344847719.db2.gz IYSCHEXMNQQCGO-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@@H](C)C2)[nH]c1C ZINC000628162088 344862813 /nfs/dbraw/zinc/86/28/13/344862813.db2.gz CKWPCWYWPMOYDI-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@@H](C)C2)[nH]c1C ZINC000628162088 344862818 /nfs/dbraw/zinc/86/28/18/344862818.db2.gz CKWPCWYWPMOYDI-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN2CCCO[C@@H](C)C2)[nH+]c1C ZINC000628162088 344862821 /nfs/dbraw/zinc/86/28/21/344862821.db2.gz CKWPCWYWPMOYDI-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN2CCC([C@@H](C)O)CC2)[nH+]c1C ZINC000628162254 344863557 /nfs/dbraw/zinc/86/35/57/344863557.db2.gz JFMNQBPWVYBGOP-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567741395 323079978 /nfs/dbraw/zinc/07/99/78/323079978.db2.gz UCPPVWBDBBIWSF-UWVGGRQHSA-N 1 2 237.303 1.318 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@@H]2CC(C)C)[nH+]1 ZINC000628172556 344892925 /nfs/dbraw/zinc/89/29/25/344892925.db2.gz LXWKLJJOBNLSHV-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@@H]2c2ccco2)[nH+]1 ZINC000628173056 344894814 /nfs/dbraw/zinc/89/48/14/344894814.db2.gz GPAVRBXQVFLYOA-LLVKDONJSA-N 1 2 247.298 1.885 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000628175781 344899687 /nfs/dbraw/zinc/89/96/87/344899687.db2.gz KDBORIWLUPOONY-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000628175781 344899691 /nfs/dbraw/zinc/89/96/91/344899691.db2.gz KDBORIWLUPOONY-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C)[C@@H]2C)[nH+]c1C ZINC000628175949 344900010 /nfs/dbraw/zinc/90/00/10/344900010.db2.gz PAONJDNAJVDBSZ-WDEREUQCSA-N 1 2 223.320 1.636 20 0 BDADLO CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000047346038 192080658 /nfs/dbraw/zinc/08/06/58/192080658.db2.gz QRIXISNASLBJHY-UHFFFAOYSA-N 1 2 245.282 1.921 20 0 BDADLO Cc1c[nH]c(CN2CCOC(C)(C)[C@@H]2C)[nH+]1 ZINC000628179133 344914219 /nfs/dbraw/zinc/91/42/19/344914219.db2.gz OSZDKTWMYBZCRV-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cn1c[nH+]c(CSCCC(C)(C)O)c1 ZINC000603345171 349920868 /nfs/dbraw/zinc/92/08/68/349920868.db2.gz SHBGWVIWSQALOY-UHFFFAOYSA-N 1 2 214.334 1.814 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000583443260 344977025 /nfs/dbraw/zinc/97/70/25/344977025.db2.gz FTPJQEQXTUMXQK-MXWKQRLJSA-N 1 2 233.315 1.312 20 0 BDADLO CO[C@H]1CCCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641556689 362500648 /nfs/dbraw/zinc/50/06/48/362500648.db2.gz WUQSHCRHLLHXHE-RYUDHWBXSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@H]1C[N@H+](CCSc2nncs2)CCO1 ZINC000188242567 259382117 /nfs/dbraw/zinc/38/21/17/259382117.db2.gz QRFTUZGWZZPGQQ-QMMMGPOBSA-N 1 2 245.373 1.351 20 0 BDADLO C[C@H]1C[N@@H+](CCSc2nncs2)CCO1 ZINC000188242567 259382119 /nfs/dbraw/zinc/38/21/19/259382119.db2.gz QRFTUZGWZZPGQQ-QMMMGPOBSA-N 1 2 245.373 1.351 20 0 BDADLO Fc1c[nH+]ccc1NCC1=CCOCC1 ZINC000641616281 362549916 /nfs/dbraw/zinc/54/99/16/362549916.db2.gz ZODJNQHWBMOEDZ-UHFFFAOYSA-N 1 2 208.236 1.401 20 0 BDADLO C[C@@H]1CSC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641592028 362534344 /nfs/dbraw/zinc/53/43/44/362534344.db2.gz IFENBTSATZPZIH-PSASIEDQSA-N 1 2 224.329 1.737 20 0 BDADLO C[C@H]1CSC[C@@H]1Nc1cc[nH+]cc1F ZINC000641592834 362534709 /nfs/dbraw/zinc/53/47/09/362534709.db2.gz PQTQVCKFOSXSLN-XVKPBYJWSA-N 1 2 212.293 1.806 20 0 BDADLO C[C@H]1COCC[C@H]1CNc1cc[nH+]cc1F ZINC000641594447 362536027 /nfs/dbraw/zinc/53/60/27/362536027.db2.gz LCWPDRINLGUETE-UWVGGRQHSA-N 1 2 224.279 1.727 20 0 BDADLO CCOC1CC(N(C)c2cc(CO)cc[nH+]2)C1 ZINC000641601118 362539197 /nfs/dbraw/zinc/53/91/97/362539197.db2.gz ZPNVPFCABBNDGI-UHFFFAOYSA-N 1 2 236.315 1.578 20 0 BDADLO Cc1cncnc1N1CCn2c[nH+]cc2C1 ZINC000641601858 362539954 /nfs/dbraw/zinc/53/99/54/362539954.db2.gz JIRDRTWPANWSPT-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO OC[C@H](Nc1cc[nH+]cc1F)C1CCCC1 ZINC000641604033 362541656 /nfs/dbraw/zinc/54/16/56/362541656.db2.gz JQAMSQUNZFIDHO-LBPRGKRZSA-N 1 2 224.279 1.606 20 0 BDADLO OCc1cc[nH+]c(N[C@@H](CO)C2CCCC2)c1 ZINC000641604994 362541935 /nfs/dbraw/zinc/54/19/35/362541935.db2.gz VXXPNFGHUFRVDA-LBPRGKRZSA-N 1 2 236.315 1.537 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NCC1CCC1 ZINC000156045369 345120807 /nfs/dbraw/zinc/12/08/07/345120807.db2.gz KLOBUMFDRGGENX-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NCC1CCC1 ZINC000156045369 345120809 /nfs/dbraw/zinc/12/08/09/345120809.db2.gz KLOBUMFDRGGENX-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1OCC[N@H+](CC(=O)NCC2CCC2)[C@H]1C ZINC000156045486 345121011 /nfs/dbraw/zinc/12/10/11/345121011.db2.gz KLOBUMFDRGGENX-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1OCC[N@@H+](CC(=O)NCC2CCC2)[C@H]1C ZINC000156045486 345121014 /nfs/dbraw/zinc/12/10/14/345121014.db2.gz KLOBUMFDRGGENX-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)CC2(CCC2)O1 ZINC000641648431 362575288 /nfs/dbraw/zinc/57/52/88/362575288.db2.gz JUKCFVKAYGQLEI-NSHDSACASA-N 1 2 248.326 1.722 20 0 BDADLO Clc1cnc(NCC[NH+]2CCOCC2)s1 ZINC000031575845 537888268 /nfs/dbraw/zinc/88/82/68/537888268.db2.gz LOPUZKVLHSGCDP-UHFFFAOYSA-N 1 2 247.751 1.541 20 0 BDADLO COC[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000044477326 345091416 /nfs/dbraw/zinc/09/14/16/345091416.db2.gz VGBJOUMTCJPIDS-QMMMGPOBSA-N 1 2 235.291 1.058 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000641651036 362576236 /nfs/dbraw/zinc/57/62/36/362576236.db2.gz ZGXNIHPFSVEHTK-ONOSFVFSSA-N 1 2 208.236 1.374 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)c2ncnn21 ZINC000641656093 362579684 /nfs/dbraw/zinc/57/96/84/362579684.db2.gz CHLLJGPNOZEAAA-GMSGAONNSA-N 1 2 233.250 1.352 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@H](Cn2ccnn2)C1 ZINC000641657516 362581191 /nfs/dbraw/zinc/58/11/91/362581191.db2.gz SUOCECTYBNWABL-JTQLQIEISA-N 1 2 247.277 1.339 20 0 BDADLO C[C@@H]1C[C@H](O)CN(c2cc[nH+]cc2F)C1 ZINC000641624142 362557063 /nfs/dbraw/zinc/55/70/63/362557063.db2.gz FLTOPFRNSCIFNF-BDAKNGLRSA-N 1 2 210.252 1.428 20 0 BDADLO C[C@@H]1C[C@H](CNc2cc[nH+]cc2F)[C@H](C)O1 ZINC000641633514 362562089 /nfs/dbraw/zinc/56/20/89/362562089.db2.gz DJUPQMNMGUPYCV-KXUCPTDWSA-N 1 2 224.279 1.868 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2ccon2)o1 ZINC000634981664 345160923 /nfs/dbraw/zinc/16/09/23/345160923.db2.gz OQTIRZIIMGWXDM-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO Cn1c[nH+]c(CSCC(=O)OC(C)(C)C)c1 ZINC000603329365 349924711 /nfs/dbraw/zinc/92/47/11/349924711.db2.gz VLPRFMUCASROGQ-UHFFFAOYSA-N 1 2 242.344 1.995 20 0 BDADLO Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156204108 345136307 /nfs/dbraw/zinc/13/63/07/345136307.db2.gz RBNTUYMZLJMOLR-DGCLKSJQSA-N 1 2 236.363 1.264 20 0 BDADLO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ccon1 ZINC000634973421 345151606 /nfs/dbraw/zinc/15/16/06/345151606.db2.gz AYUXRDLYCAXWRA-SSDOTTSWSA-N 1 2 224.182 1.078 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccncc2)[nH+]1 ZINC000635065686 345237936 /nfs/dbraw/zinc/23/79/36/345237936.db2.gz MPBNQCXPOIMDHJ-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO CCOCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635350340 345319438 /nfs/dbraw/zinc/31/94/38/345319438.db2.gz RKMKDYQTVFMZLO-UHFFFAOYSA-N 1 2 247.298 1.409 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635148274 345259795 /nfs/dbraw/zinc/25/97/95/345259795.db2.gz UODZSACARUVKCA-RNFRBKRXSA-N 1 2 234.284 1.608 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635148274 345259799 /nfs/dbraw/zinc/25/97/99/345259799.db2.gz UODZSACARUVKCA-RNFRBKRXSA-N 1 2 234.284 1.608 20 0 BDADLO CCC[C@@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635189641 345267049 /nfs/dbraw/zinc/26/70/49/345267049.db2.gz VCJSLCHRJBQXJM-SECBINFHSA-N 1 2 223.320 1.819 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2CC2)[nH+]1 ZINC000635194070 345269154 /nfs/dbraw/zinc/26/91/54/345269154.db2.gz LTGOGFFPBCKXQT-UHFFFAOYSA-N 1 2 207.277 1.041 20 0 BDADLO CC(C)C[C@@H](C(=O)Nc1cn[nH]c1)n1cc[nH+]c1 ZINC000635278818 345293350 /nfs/dbraw/zinc/29/33/50/345293350.db2.gz DUBGZBBLLRDYKP-NSHDSACASA-N 1 2 247.302 1.832 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2C[C@H]2C)[nH+]1 ZINC000635301284 345299871 /nfs/dbraw/zinc/29/98/71/345299871.db2.gz WXJRZNRBEYCKSZ-BDAKNGLRSA-N 1 2 221.304 1.287 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635405609 345347703 /nfs/dbraw/zinc/34/77/03/345347703.db2.gz DEGXPTIMBHRNAG-NQMVMOMDSA-N 1 2 219.288 1.428 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635405609 345347705 /nfs/dbraw/zinc/34/77/05/345347705.db2.gz DEGXPTIMBHRNAG-NQMVMOMDSA-N 1 2 219.288 1.428 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC2(C)C)[nH+]1 ZINC000635407784 345351931 /nfs/dbraw/zinc/35/19/31/345351931.db2.gz XVPVUEZDLQEYAY-VIFPVBQESA-N 1 2 221.304 1.429 20 0 BDADLO C[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000159325465 345424471 /nfs/dbraw/zinc/42/44/71/345424471.db2.gz NTCKOLAWBNSGGJ-YUMQZZPRSA-N 1 2 225.292 1.321 20 0 BDADLO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000159325465 345424472 /nfs/dbraw/zinc/42/44/72/345424472.db2.gz NTCKOLAWBNSGGJ-YUMQZZPRSA-N 1 2 225.292 1.321 20 0 BDADLO CC[N@H+](CCCO)Cc1noc(C(C)(C)C)n1 ZINC000135417410 345440896 /nfs/dbraw/zinc/44/08/96/345440896.db2.gz RMAYMWMEDLKWMN-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CC[N@@H+](CCCO)Cc1noc(C(C)(C)C)n1 ZINC000135417410 345440899 /nfs/dbraw/zinc/44/08/99/345440899.db2.gz RMAYMWMEDLKWMN-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO O[C@@]1(C(F)(F)F)CCN(c2cccc[nH+]2)C1 ZINC000080700696 345445238 /nfs/dbraw/zinc/44/52/38/345445238.db2.gz OJJXTIABDQBOFU-VIFPVBQESA-N 1 2 232.205 1.585 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635506152 345402350 /nfs/dbraw/zinc/40/23/50/345402350.db2.gz NIDYIPMURUPVRB-LNFKQOIKSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635506152 345402351 /nfs/dbraw/zinc/40/23/51/345402351.db2.gz NIDYIPMURUPVRB-LNFKQOIKSA-N 1 2 233.315 1.818 20 0 BDADLO CC(C)[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081797737 345492736 /nfs/dbraw/zinc/49/27/36/345492736.db2.gz SIYGGSVEOFDHHH-VXGBXAGGSA-N 1 2 237.347 1.928 20 0 BDADLO O=C(C[N@@H+]1CCC12CCC2)Nc1nccs1 ZINC000081545789 345477761 /nfs/dbraw/zinc/47/77/61/345477761.db2.gz HRIOYPOOIWTEQS-UHFFFAOYSA-N 1 2 237.328 1.710 20 0 BDADLO O=C(C[N@H+]1CCC12CCC2)Nc1nccs1 ZINC000081545789 345477762 /nfs/dbraw/zinc/47/77/62/345477762.db2.gz HRIOYPOOIWTEQS-UHFFFAOYSA-N 1 2 237.328 1.710 20 0 BDADLO Cn1cc[nH+]c1CN(CCCO)c1ccccc1 ZINC000085901587 345536057 /nfs/dbraw/zinc/53/60/57/345536057.db2.gz FFOBQQWIKOJYIG-UHFFFAOYSA-N 1 2 245.326 1.809 20 0 BDADLO C[C@H](C[N@H+](C)Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000091554711 345598736 /nfs/dbraw/zinc/59/87/36/345598736.db2.gz PECOFVQSJRNGSL-SNVBAGLBSA-N 1 2 246.314 1.334 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000091554711 345598739 /nfs/dbraw/zinc/59/87/39/345598739.db2.gz PECOFVQSJRNGSL-SNVBAGLBSA-N 1 2 246.314 1.334 20 0 BDADLO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091581522 345599597 /nfs/dbraw/zinc/59/95/97/345599597.db2.gz CQJACWKIZKPJSJ-RKDXNWHRSA-N 1 2 224.308 1.109 20 0 BDADLO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091581522 345599599 /nfs/dbraw/zinc/59/95/99/345599599.db2.gz CQJACWKIZKPJSJ-RKDXNWHRSA-N 1 2 224.308 1.109 20 0 BDADLO CCSCC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091623541 345600877 /nfs/dbraw/zinc/60/08/77/345600877.db2.gz PGWWXVBZOCRTRE-QMMMGPOBSA-N 1 2 244.364 1.062 20 0 BDADLO CCSCC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091623541 345600879 /nfs/dbraw/zinc/60/08/79/345600879.db2.gz PGWWXVBZOCRTRE-QMMMGPOBSA-N 1 2 244.364 1.062 20 0 BDADLO Cn1nncc1C[N@H+](C)CCC(F)(F)F ZINC000092477966 345624445 /nfs/dbraw/zinc/62/44/45/345624445.db2.gz ZJIOWFUMDXQGHG-UHFFFAOYSA-N 1 2 222.214 1.199 20 0 BDADLO Cn1nncc1C[N@@H+](C)CCC(F)(F)F ZINC000092477966 345624446 /nfs/dbraw/zinc/62/44/46/345624446.db2.gz ZJIOWFUMDXQGHG-UHFFFAOYSA-N 1 2 222.214 1.199 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091077943 345582134 /nfs/dbraw/zinc/58/21/34/345582134.db2.gz GGTQPMLWKREPDG-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCc2n[nH]cc2C1 ZINC000091077943 345582136 /nfs/dbraw/zinc/58/21/36/345582136.db2.gz GGTQPMLWKREPDG-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO COC(=O)C(C)(C)CSCc1cn(C)c[nH+]1 ZINC000603366074 349933748 /nfs/dbraw/zinc/93/37/48/349933748.db2.gz NKNZHLUJEFWMHZ-UHFFFAOYSA-N 1 2 242.344 1.853 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccncc2N)no1 ZINC000641709925 362619020 /nfs/dbraw/zinc/61/90/20/362619020.db2.gz KBIRBSZMEKKIEG-UHFFFAOYSA-N 1 2 218.260 1.250 20 0 BDADLO COC[C@]1(C)CN(c2cc[nH+]cc2F)CCO1 ZINC000641680514 362601794 /nfs/dbraw/zinc/60/17/94/362601794.db2.gz RTUNPENBIMKWGC-LBPRGKRZSA-N 1 2 240.278 1.462 20 0 BDADLO O=C1[C@H](Nc2cc[nH+]cc2F)CCN1C1CCC1 ZINC000641680703 362602336 /nfs/dbraw/zinc/60/23/36/362602336.db2.gz WBOWQKFWUKHDDL-GFCCVEGCSA-N 1 2 249.289 1.208 20 0 BDADLO CN1CC[N@@H+](Cc2cccc(O)c2)C(C)(C)C1 ZINC000093457406 345671737 /nfs/dbraw/zinc/67/17/37/345671737.db2.gz RMLXBZMTDLZXGQ-UHFFFAOYSA-N 1 2 234.343 1.918 20 0 BDADLO COc1ccc(OCc2c[nH+]cn2C)cn1 ZINC000641733898 362652299 /nfs/dbraw/zinc/65/22/99/362652299.db2.gz TVIIBZOIKNRRGM-UHFFFAOYSA-N 1 2 219.244 1.403 20 0 BDADLO O[C@@]12C[C@@H]1CN(c1cc(C(F)(F)F)cc[nH+]1)C2 ZINC000641714215 362629920 /nfs/dbraw/zinc/62/99/20/362629920.db2.gz WOMOCLFPUBCVII-PSASIEDQSA-N 1 2 244.216 1.671 20 0 BDADLO CC(C)C(C)(C)C(=O)NCC[NH+]1CCOCC1 ZINC000168292209 345723186 /nfs/dbraw/zinc/72/31/86/345723186.db2.gz WVBFWZTXNIJREG-UHFFFAOYSA-N 1 2 242.363 1.117 20 0 BDADLO Cc1ncccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685943 345801565 /nfs/dbraw/zinc/80/15/65/345801565.db2.gz RBXFHWLLDSHZKN-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1CC2(CC2)C1 ZINC000668420008 537912118 /nfs/dbraw/zinc/91/21/18/537912118.db2.gz RTJGBFJNOXPXSU-UHFFFAOYSA-N 1 2 216.284 1.941 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140968870 345826322 /nfs/dbraw/zinc/82/63/22/345826322.db2.gz LMCICPDWSNKOBV-MRVPVSSYSA-N 1 2 247.302 1.251 20 0 BDADLO Cc1noc(C)c1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140982952 345827183 /nfs/dbraw/zinc/82/71/83/345827183.db2.gz QWDKIYGDEHLKRA-MRVPVSSYSA-N 1 2 248.286 1.434 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)(C)C ZINC000588963556 345835955 /nfs/dbraw/zinc/83/59/55/345835955.db2.gz WHDNMHRGBUSPRR-VHSXEESVSA-N 1 2 245.363 1.571 20 0 BDADLO CC(C)=C(C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000635591136 345883723 /nfs/dbraw/zinc/88/37/23/345883723.db2.gz ZXPZMHSQFAKETN-UHFFFAOYSA-N 1 2 207.277 1.772 20 0 BDADLO CC(C)=C(C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000635591136 345883727 /nfs/dbraw/zinc/88/37/27/345883727.db2.gz ZXPZMHSQFAKETN-UHFFFAOYSA-N 1 2 207.277 1.772 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635644335 345919389 /nfs/dbraw/zinc/91/93/89/345919389.db2.gz QFUMWXGUJASSHU-GHMZBOCLSA-N 1 2 244.298 1.500 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635644335 345919391 /nfs/dbraw/zinc/91/93/91/345919391.db2.gz QFUMWXGUJASSHU-GHMZBOCLSA-N 1 2 244.298 1.500 20 0 BDADLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC000635667236 345973167 /nfs/dbraw/zinc/97/31/67/345973167.db2.gz MXPUBZYQQBKRPT-GIPNMCIBSA-N 1 2 249.314 1.199 20 0 BDADLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC000635667236 345973168 /nfs/dbraw/zinc/97/31/68/345973168.db2.gz MXPUBZYQQBKRPT-GIPNMCIBSA-N 1 2 249.314 1.199 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2nc(C)c[nH]2)[nH+]1 ZINC000635684618 345977284 /nfs/dbraw/zinc/97/72/84/345977284.db2.gz WEMYYVRLJVJLPE-UHFFFAOYSA-N 1 2 233.275 1.185 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000635712676 346016593 /nfs/dbraw/zinc/01/65/93/346016593.db2.gz ROXAYIMNXHACDC-GHMZBOCLSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000635712676 346016595 /nfs/dbraw/zinc/01/65/95/346016595.db2.gz ROXAYIMNXHACDC-GHMZBOCLSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1ocnc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000577075655 365806664 /nfs/dbraw/zinc/80/66/64/365806664.db2.gz RXUOWTQARGXOQT-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO Cc1ocnc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000577075655 365806666 /nfs/dbraw/zinc/80/66/66/365806666.db2.gz RXUOWTQARGXOQT-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000381481200 346032785 /nfs/dbraw/zinc/03/27/85/346032785.db2.gz DMUHAFWKSDFUMI-ZJUUUORDSA-N 1 2 221.304 1.611 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC(C)C3)cc2[nH+]1 ZINC000635857988 346086609 /nfs/dbraw/zinc/08/66/09/346086609.db2.gz DDPOTESGUQKAKO-UHFFFAOYSA-N 1 2 229.283 1.735 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C)(C)C2)[nH+]1 ZINC000635871714 346092968 /nfs/dbraw/zinc/09/29/68/346092968.db2.gz FBAAHAPJUXXLQU-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000635933942 346113490 /nfs/dbraw/zinc/11/34/90/346113490.db2.gz VNXMBIXSSWCCTC-YUMQZZPRSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(F)(F)F ZINC000635933942 346113493 /nfs/dbraw/zinc/11/34/93/346113493.db2.gz VNXMBIXSSWCCTC-YUMQZZPRSA-N 1 2 238.253 1.538 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)on1 ZINC000631091646 346168598 /nfs/dbraw/zinc/16/85/98/346168598.db2.gz SUQVCFNGTABRBB-SNVBAGLBSA-N 1 2 232.287 1.353 20 0 BDADLO CCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636014564 346156051 /nfs/dbraw/zinc/15/60/51/346156051.db2.gz IEKYQEGOFHVFSE-NXEZZACHSA-N 1 2 219.288 1.382 20 0 BDADLO CCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636014564 346156054 /nfs/dbraw/zinc/15/60/54/346156054.db2.gz IEKYQEGOFHVFSE-NXEZZACHSA-N 1 2 219.288 1.382 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)O1 ZINC000636015723 346156737 /nfs/dbraw/zinc/15/67/37/346156737.db2.gz NSZPRNFSVFFENW-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)O1 ZINC000636015723 346156740 /nfs/dbraw/zinc/15/67/40/346156740.db2.gz NSZPRNFSVFFENW-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000628241142 346204121 /nfs/dbraw/zinc/20/41/21/346204121.db2.gz KDZPDPFROWOTBU-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000628241142 346204123 /nfs/dbraw/zinc/20/41/23/346204123.db2.gz KDZPDPFROWOTBU-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628245141 346209860 /nfs/dbraw/zinc/20/98/60/346209860.db2.gz KPSTZMLBTFIHKB-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628245141 346209863 /nfs/dbraw/zinc/20/98/63/346209863.db2.gz KPSTZMLBTFIHKB-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@H](OC(F)F)C2)[nH+]1 ZINC000628236978 346191960 /nfs/dbraw/zinc/19/19/60/346191960.db2.gz XEODEBWMVKFXBU-VIFPVBQESA-N 1 2 245.273 1.922 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](O)Cc3ccccc32)[nH+]1 ZINC000628254150 346235282 /nfs/dbraw/zinc/23/52/82/346235282.db2.gz OVMDYCOCVWVGJO-LBPRGKRZSA-N 1 2 243.310 1.642 20 0 BDADLO CC[N@H+](Cc1cnc(C2CC2)o1)[C@H]1CCNC1=O ZINC000628262141 346260962 /nfs/dbraw/zinc/26/09/62/346260962.db2.gz YLNJJLWMPKOBTA-NSHDSACASA-N 1 2 249.314 1.262 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC([C@@H]3CCOC3)C2)n1 ZINC000628255417 346249321 /nfs/dbraw/zinc/24/93/21/346249321.db2.gz MARZHJCBSFDWLL-SNVBAGLBSA-N 1 2 221.304 1.186 20 0 BDADLO CC[N@@H+](Cc1cnc(C2CC2)o1)[C@H]1CCNC1=O ZINC000628262141 346260965 /nfs/dbraw/zinc/26/09/65/346260965.db2.gz YLNJJLWMPKOBTA-NSHDSACASA-N 1 2 249.314 1.262 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@H]2c2nc(C)no2)[nH+]1 ZINC000628276010 346284431 /nfs/dbraw/zinc/28/44/31/346284431.db2.gz NJSZXLHLILXAAQ-JTQLQIEISA-N 1 2 247.302 1.747 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000626163361 346275479 /nfs/dbraw/zinc/27/54/79/346275479.db2.gz JBZRVHUREORRMS-OTDNITJGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000626163361 346275481 /nfs/dbraw/zinc/27/54/81/346275481.db2.gz JBZRVHUREORRMS-OTDNITJGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000626163361 346275483 /nfs/dbraw/zinc/27/54/83/346275483.db2.gz JBZRVHUREORRMS-OTDNITJGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000626163361 346275485 /nfs/dbraw/zinc/27/54/85/346275485.db2.gz JBZRVHUREORRMS-OTDNITJGSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000626163361 346275487 /nfs/dbraw/zinc/27/54/87/346275487.db2.gz JBZRVHUREORRMS-OTDNITJGSA-N 1 2 220.320 1.983 20 0 BDADLO c1nc(C2CC2)oc1CN1CCn2c[nH+]cc2C1 ZINC000628285986 346297527 /nfs/dbraw/zinc/29/75/27/346297527.db2.gz PTSGDKPOMIOBSZ-UHFFFAOYSA-N 1 2 244.298 1.764 20 0 BDADLO CCn1cc[nH+]c1CNc1cccc2n[nH]nc21 ZINC000641758515 362688417 /nfs/dbraw/zinc/68/84/17/362688417.db2.gz OAYCVFHLLKBDIB-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO C[C@@H](CNC(=O)CCC(F)F)Cn1cc[nH+]c1 ZINC000684446890 488314010 /nfs/dbraw/zinc/31/40/10/488314010.db2.gz NKDWJWFATNGRFL-VIFPVBQESA-N 1 2 245.273 1.681 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@@H](C)C(F)F)cn1C ZINC000603429194 349950524 /nfs/dbraw/zinc/95/05/24/349950524.db2.gz MKJLBWFDTUNQDA-ZETCQYMHSA-N 1 2 246.257 1.555 20 0 BDADLO Cc1cc(CNc2cc(CO)cc[nH+]2)nn1C ZINC000641762039 362687114 /nfs/dbraw/zinc/68/71/14/362687114.db2.gz BUIQBKUCIGKSIT-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCc2ccoc2)[nH+]1 ZINC000636201470 346351329 /nfs/dbraw/zinc/35/13/29/346351329.db2.gz WOLPIKLOPKNWTB-UHFFFAOYSA-N 1 2 247.298 1.467 20 0 BDADLO COc1nccnc1C[NH2+]Cc1ccc(C)cn1 ZINC000641766243 362697991 /nfs/dbraw/zinc/69/79/91/362697991.db2.gz KBSRSIWAKWNFCA-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636157119 346339762 /nfs/dbraw/zinc/33/97/62/346339762.db2.gz HDWVXZLRUAXLQN-WTBMIXGQSA-N 1 2 231.299 1.572 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636157119 346339766 /nfs/dbraw/zinc/33/97/66/346339766.db2.gz HDWVXZLRUAXLQN-WTBMIXGQSA-N 1 2 231.299 1.572 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)O1 ZINC000636314478 346390494 /nfs/dbraw/zinc/39/04/94/346390494.db2.gz ZJOXGLIVSBPGAV-RCZSTQMZSA-N 1 2 249.314 1.195 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)O1 ZINC000636314478 346390496 /nfs/dbraw/zinc/39/04/96/346390496.db2.gz ZJOXGLIVSBPGAV-RCZSTQMZSA-N 1 2 249.314 1.195 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCO[C@@H]2C2CC2)c[nH+]1 ZINC000332756020 346432214 /nfs/dbraw/zinc/43/22/14/346432214.db2.gz LISLPZBBQFISFB-GXSJLCMTSA-N 1 2 235.287 1.015 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332702909 346423648 /nfs/dbraw/zinc/42/36/48/346423648.db2.gz UDQNHQYQQGCMHO-WDEREUQCSA-N 1 2 248.330 1.249 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccncc2)CCCO1 ZINC000170764921 346445692 /nfs/dbraw/zinc/44/56/92/346445692.db2.gz RZASMNIIDBDAFI-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccncc2)CCCO1 ZINC000170764921 346445693 /nfs/dbraw/zinc/44/56/93/346445693.db2.gz RZASMNIIDBDAFI-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000563411870 323124657 /nfs/dbraw/zinc/12/46/57/323124657.db2.gz GMHWORJPWZDQCN-IWSPIJDZSA-N 1 2 207.277 1.633 20 0 BDADLO Cc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000183884125 179090391 /nfs/dbraw/zinc/09/03/91/179090391.db2.gz CRNGSOUAUODUCL-UHFFFAOYSA-N 1 2 215.243 1.712 20 0 BDADLO CN(C)c1cc2c(nn1)CC[N@H+](CC(F)F)C2 ZINC000603413258 349962317 /nfs/dbraw/zinc/96/23/17/349962317.db2.gz WRFCNCCTJDIXET-UHFFFAOYSA-N 1 2 242.273 1.166 20 0 BDADLO CN(C)c1cc2c(nn1)CC[N@@H+](CC(F)F)C2 ZINC000603413258 349962319 /nfs/dbraw/zinc/96/23/19/349962319.db2.gz WRFCNCCTJDIXET-UHFFFAOYSA-N 1 2 242.273 1.166 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccccc1Cl ZINC000170928018 346483551 /nfs/dbraw/zinc/48/35/51/346483551.db2.gz LZDYFKKWVZWBFL-UHFFFAOYSA-N 1 2 241.718 1.987 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccccc1Cl ZINC000170928018 346483553 /nfs/dbraw/zinc/48/35/53/346483553.db2.gz LZDYFKKWVZWBFL-UHFFFAOYSA-N 1 2 241.718 1.987 20 0 BDADLO Cc1noc(C)c1CNc1nc(C)[nH+]cc1C ZINC000577109770 365819270 /nfs/dbraw/zinc/81/92/70/365819270.db2.gz HLZAZOUTLNTBLJ-UHFFFAOYSA-N 1 2 232.287 1.732 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)C1CC1)n1cc[nH+]c1 ZINC000580081559 346515123 /nfs/dbraw/zinc/51/51/23/346515123.db2.gz UTIQUESFTDFKLD-UWVGGRQHSA-N 1 2 221.304 1.749 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679223995 488321396 /nfs/dbraw/zinc/32/13/96/488321396.db2.gz RRLOQNOVOYELKA-NOOOWODRSA-N 1 2 244.354 1.970 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679223995 488321397 /nfs/dbraw/zinc/32/13/97/488321397.db2.gz RRLOQNOVOYELKA-NOOOWODRSA-N 1 2 244.354 1.970 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ncn(C)n1)OC ZINC000623015079 346540496 /nfs/dbraw/zinc/54/04/96/346540496.db2.gz BGIDUAKSPIWVOS-HBNTYKKESA-N 1 2 240.351 1.527 20 0 BDADLO COCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178246690 346663590 /nfs/dbraw/zinc/66/35/90/346663590.db2.gz SZROJMPCCAMLNO-VIFPVBQESA-N 1 2 240.269 1.201 20 0 BDADLO CC(C)(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589989052 346762326 /nfs/dbraw/zinc/76/23/26/346762326.db2.gz SSHUFYUDTQDRQL-UHFFFAOYSA-N 1 2 234.299 1.717 20 0 BDADLO Cc1cccc(NCc2n[nH]c(C3CC3)n2)[nH+]1 ZINC000294882517 179152132 /nfs/dbraw/zinc/15/21/32/179152132.db2.gz FKTRLBGSJRXIFW-UHFFFAOYSA-N 1 2 229.287 1.998 20 0 BDADLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1COC1 ZINC000577181135 365863378 /nfs/dbraw/zinc/86/33/78/365863378.db2.gz NCOKLKUJXQMKAZ-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000309665213 347130916 /nfs/dbraw/zinc/13/09/16/347130916.db2.gz HKWFFTMGGCDZSF-VIFPVBQESA-N 1 2 225.292 1.097 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)C)C(C)(C)C ZINC000309832172 347178823 /nfs/dbraw/zinc/17/88/23/347178823.db2.gz KYMWZERJIKVMGA-NXEZZACHSA-N 1 2 231.336 1.181 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccncc1C)C1CC1 ZINC000563052092 347214373 /nfs/dbraw/zinc/21/43/73/347214373.db2.gz DUHZNRYAKAFBKE-CYBMUJFWSA-N 1 2 248.326 1.474 20 0 BDADLO Cc1cccc([C@@]2(F)CC[N@H+](CC(N)=O)C2)c1 ZINC000377156146 179191353 /nfs/dbraw/zinc/19/13/53/179191353.db2.gz YJGQBDKZQOYJJT-CYBMUJFWSA-N 1 2 236.290 1.351 20 0 BDADLO Cc1cccc([C@@]2(F)CC[N@@H+](CC(N)=O)C2)c1 ZINC000377156146 179191355 /nfs/dbraw/zinc/19/13/55/179191355.db2.gz YJGQBDKZQOYJJT-CYBMUJFWSA-N 1 2 236.290 1.351 20 0 BDADLO CO[C@@H]([C@H](C)Nc1cc[nH+]c(C)n1)C1CC1 ZINC000388301323 347301247 /nfs/dbraw/zinc/30/12/47/347301247.db2.gz NQSUPVDEYRCLMI-UFBFGSQYSA-N 1 2 221.304 1.432 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@@H]2C)[nH+]c1C ZINC000628297646 347258111 /nfs/dbraw/zinc/25/81/11/347258111.db2.gz GTYHKWQKKDYQEQ-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO O=C(CCCC1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627372836 347271459 /nfs/dbraw/zinc/27/14/59/347271459.db2.gz XZRPGZBHRRVJSA-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO O=C(CCCC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627372836 347271461 /nfs/dbraw/zinc/27/14/61/347271461.db2.gz XZRPGZBHRRVJSA-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cn[nH]c2)[nH]c1C ZINC000571344371 323142224 /nfs/dbraw/zinc/14/22/24/323142224.db2.gz GZOWGLFKONXIAA-SECBINFHSA-N 1 2 219.292 1.600 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2cn[nH]c2)[nH+]c1C ZINC000571344371 323142225 /nfs/dbraw/zinc/14/22/25/323142225.db2.gz GZOWGLFKONXIAA-SECBINFHSA-N 1 2 219.292 1.600 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1nc(N(C)C)no1 ZINC000191896440 347362480 /nfs/dbraw/zinc/36/24/80/347362480.db2.gz AEPKUDRGVJKMTH-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C2CC2)o1 ZINC000525781741 259395248 /nfs/dbraw/zinc/39/52/48/259395248.db2.gz RWUVYQNQTLVIJH-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C2CC2)o1 ZINC000525781741 259395250 /nfs/dbraw/zinc/39/52/50/259395250.db2.gz RWUVYQNQTLVIJH-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(F)(F)F ZINC000250858379 362824503 /nfs/dbraw/zinc/82/45/03/362824503.db2.gz PVUNMIPMAUNXPW-HTQZYQBOSA-N 1 2 236.237 1.292 20 0 BDADLO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(F)(F)F ZINC000250858379 362824506 /nfs/dbraw/zinc/82/45/06/362824506.db2.gz PVUNMIPMAUNXPW-HTQZYQBOSA-N 1 2 236.237 1.292 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000616921799 347451567 /nfs/dbraw/zinc/45/15/67/347451567.db2.gz CRXGPTSYKNSKEV-VIFPVBQESA-N 1 2 221.304 1.804 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000616921799 347451570 /nfs/dbraw/zinc/45/15/70/347451570.db2.gz CRXGPTSYKNSKEV-VIFPVBQESA-N 1 2 221.304 1.804 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000616923231 347453284 /nfs/dbraw/zinc/45/32/84/347453284.db2.gz ZXEVEERSIDMYJF-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000616923231 347453285 /nfs/dbraw/zinc/45/32/85/347453285.db2.gz ZXEVEERSIDMYJF-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)n1C ZINC000616922668 347453639 /nfs/dbraw/zinc/45/36/39/347453639.db2.gz DWEOURKKDAPFJN-UHFFFAOYSA-N 1 2 246.314 1.637 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)n1C ZINC000616922668 347453642 /nfs/dbraw/zinc/45/36/42/347453642.db2.gz DWEOURKKDAPFJN-UHFFFAOYSA-N 1 2 246.314 1.637 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1C=CCC1 ZINC000616922951 347453874 /nfs/dbraw/zinc/45/38/74/347453874.db2.gz OSXFHYVKDISOPN-SNVBAGLBSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1C=CCC1 ZINC000616922951 347453877 /nfs/dbraw/zinc/45/38/77/347453877.db2.gz OSXFHYVKDISOPN-SNVBAGLBSA-N 1 2 219.288 1.724 20 0 BDADLO CCCCO[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924302 347454385 /nfs/dbraw/zinc/45/43/85/347454385.db2.gz DJKGDUPSTYLSQJ-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO CCCCO[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924302 347454387 /nfs/dbraw/zinc/45/43/87/347454387.db2.gz DJKGDUPSTYLSQJ-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO CCc1nc(C)c(C[NH+]2CCOCC2)o1 ZINC000336115240 347431550 /nfs/dbraw/zinc/43/15/50/347431550.db2.gz JBPITWLTKRSNBL-UHFFFAOYSA-N 1 2 210.277 1.378 20 0 BDADLO CCC[C@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928559 347495102 /nfs/dbraw/zinc/49/51/02/347495102.db2.gz FBZQOBCXVSSTHY-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO CCC[C@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928559 347495105 /nfs/dbraw/zinc/49/51/05/347495105.db2.gz FBZQOBCXVSSTHY-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCSC1 ZINC000616929338 347497196 /nfs/dbraw/zinc/49/71/96/347497196.db2.gz YMAMCMRCBRVBHS-VIFPVBQESA-N 1 2 239.344 1.511 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCSC1 ZINC000616929338 347497200 /nfs/dbraw/zinc/49/72/00/347497200.db2.gz YMAMCMRCBRVBHS-VIFPVBQESA-N 1 2 239.344 1.511 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCn1cccc1 ZINC000616927002 347459215 /nfs/dbraw/zinc/45/92/15/347459215.db2.gz YCFOJYCCTDMPGP-UHFFFAOYSA-N 1 2 246.314 1.650 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCn1cccc1 ZINC000616927002 347459218 /nfs/dbraw/zinc/45/92/18/347459218.db2.gz YCFOJYCCTDMPGP-UHFFFAOYSA-N 1 2 246.314 1.650 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601913 347475983 /nfs/dbraw/zinc/47/59/83/347475983.db2.gz SROMDELKSOIGMU-RYUDHWBXSA-N 1 2 248.326 1.823 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601913 347475984 /nfs/dbraw/zinc/47/59/84/347475984.db2.gz SROMDELKSOIGMU-RYUDHWBXSA-N 1 2 248.326 1.823 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](SC)C2)n1 ZINC000590612644 347481953 /nfs/dbraw/zinc/48/19/53/347481953.db2.gz ZTJXXOOPBMWBLK-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](SC)C2)n1 ZINC000590612644 347481957 /nfs/dbraw/zinc/48/19/57/347481957.db2.gz ZTJXXOOPBMWBLK-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO Cc1nc(NC(=O)CCc2[nH]cc[nH+]2)cs1 ZINC000577239546 365896903 /nfs/dbraw/zinc/89/69/03/365896903.db2.gz JQUWUAKAECDCNJ-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C(C)C)C1CC1 ZINC000636600963 347540152 /nfs/dbraw/zinc/54/01/52/347540152.db2.gz QOSQMVDKDZXDIH-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C(C)C)C1CC1 ZINC000636600963 347540154 /nfs/dbraw/zinc/54/01/54/347540154.db2.gz QOSQMVDKDZXDIH-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO CN(CC(F)F)C(=O)CCCn1cc[nH+]c1 ZINC000590889341 347581835 /nfs/dbraw/zinc/58/18/35/347581835.db2.gz GZTUZVCOLIWDFJ-UHFFFAOYSA-N 1 2 231.246 1.387 20 0 BDADLO C[N@H+](CCCN1CCCC1=O)CC(F)F ZINC000590942674 347590822 /nfs/dbraw/zinc/59/08/22/347590822.db2.gz XLGLOKOCBSHCBB-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO C[N@@H+](CCCN1CCCC1=O)CC(F)F ZINC000590942674 347590823 /nfs/dbraw/zinc/59/08/23/347590823.db2.gz XLGLOKOCBSHCBB-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000591138848 347620353 /nfs/dbraw/zinc/62/03/53/347620353.db2.gz DHLZUVSRZSWNBF-UHFFFAOYSA-N 1 2 247.302 1.642 20 0 BDADLO Cc1ccccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000265919748 179273876 /nfs/dbraw/zinc/27/38/76/179273876.db2.gz ZUMLZQBLHKFQLA-UHFFFAOYSA-N 1 2 218.300 1.269 20 0 BDADLO Cc1ccccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000265919748 179273882 /nfs/dbraw/zinc/27/38/82/179273882.db2.gz ZUMLZQBLHKFQLA-UHFFFAOYSA-N 1 2 218.300 1.269 20 0 BDADLO CCc1noc(C[NH2+][C@H](C)Cn2cccn2)n1 ZINC000591928461 347719935 /nfs/dbraw/zinc/71/99/35/347719935.db2.gz FEPLCJASCOHKDP-SECBINFHSA-N 1 2 235.291 1.007 20 0 BDADLO CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592377419 347771560 /nfs/dbraw/zinc/77/15/60/347771560.db2.gz WCBQUWBMNHCPEP-AXFHLTTASA-N 1 2 243.347 1.874 20 0 BDADLO CC[N@H+](CCSC)Cc1noc(COC)n1 ZINC000592203181 347755669 /nfs/dbraw/zinc/75/56/69/347755669.db2.gz KIVZSPNMKGJXDF-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO CC[N@@H+](CCSC)Cc1noc(COC)n1 ZINC000592203181 347755672 /nfs/dbraw/zinc/75/56/72/347755672.db2.gz KIVZSPNMKGJXDF-UHFFFAOYSA-N 1 2 245.348 1.401 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+]C1CSC1)C(=O)OC ZINC000592517651 347794410 /nfs/dbraw/zinc/79/44/10/347794410.db2.gz ZUWCLQZIARICGS-WPRPVWTQSA-N 1 2 231.361 1.669 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC000592524809 347794711 /nfs/dbraw/zinc/79/47/11/347794711.db2.gz DMUXJQLAYJHJBY-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CCOC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000449527504 201955367 /nfs/dbraw/zinc/95/53/67/201955367.db2.gz IWAJEGHDVCIAPV-JTQLQIEISA-N 1 2 229.345 1.377 20 0 BDADLO CCOC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000449527504 201955370 /nfs/dbraw/zinc/95/53/70/201955370.db2.gz IWAJEGHDVCIAPV-JTQLQIEISA-N 1 2 229.345 1.377 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccn1 ZINC000617072324 347820122 /nfs/dbraw/zinc/82/01/22/347820122.db2.gz XBEPBHPKMRJLPM-LLVKDONJSA-N 1 2 244.298 1.198 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+]C1CSC1 ZINC000308532617 347820336 /nfs/dbraw/zinc/82/03/36/347820336.db2.gz RZSSFSKAVIWMLX-SECBINFHSA-N 1 2 217.334 1.279 20 0 BDADLO Cc1nc(C[N@H+](CCO)CC(C)(C)C)no1 ZINC000592894690 347828619 /nfs/dbraw/zinc/82/86/19/347828619.db2.gz HCBOPQSIUJVAQK-UHFFFAOYSA-N 1 2 227.308 1.218 20 0 BDADLO Cc1nc(C[N@@H+](CCO)CC(C)(C)C)no1 ZINC000592894690 347828621 /nfs/dbraw/zinc/82/86/21/347828621.db2.gz HCBOPQSIUJVAQK-UHFFFAOYSA-N 1 2 227.308 1.218 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N)nc1 ZINC000592430731 347785716 /nfs/dbraw/zinc/78/57/16/347785716.db2.gz FBJXNLHTPHPSCJ-NSHDSACASA-N 1 2 249.314 1.022 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N)nc1 ZINC000592430731 347785717 /nfs/dbraw/zinc/78/57/17/347785717.db2.gz FBJXNLHTPHPSCJ-NSHDSACASA-N 1 2 249.314 1.022 20 0 BDADLO CSCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593012041 347841303 /nfs/dbraw/zinc/84/13/03/347841303.db2.gz PGXJQVHDHGWICN-VIFPVBQESA-N 1 2 227.333 1.313 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000577335618 365926887 /nfs/dbraw/zinc/92/68/87/365926887.db2.gz GSFHVQYGPOGZHR-JTQLQIEISA-N 1 2 231.299 1.045 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000577335618 365926889 /nfs/dbraw/zinc/92/68/89/365926889.db2.gz GSFHVQYGPOGZHR-JTQLQIEISA-N 1 2 231.299 1.045 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117816 347862993 /nfs/dbraw/zinc/86/29/93/347862993.db2.gz SOAVXIKHCVJDRN-SECBINFHSA-N 1 2 219.231 1.281 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117816 347862996 /nfs/dbraw/zinc/86/29/96/347862996.db2.gz SOAVXIKHCVJDRN-SECBINFHSA-N 1 2 219.231 1.281 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)COCC1CC1)C1CC1 ZINC000593183440 347869261 /nfs/dbraw/zinc/86/92/61/347869261.db2.gz WVPBGOYWBVWUBV-SKDRFNHKSA-N 1 2 241.331 1.343 20 0 BDADLO CCO[C@@H](CC)C(=O)Nc1cc[nH+]cc1C ZINC000593274993 347877011 /nfs/dbraw/zinc/87/70/11/347877011.db2.gz WWQFNENOJCWRNH-NSHDSACASA-N 1 2 222.288 1.566 20 0 BDADLO COC(=O)[C@@H](CNc1cc(C)[nH+]cn1)CC1CC1 ZINC000593496779 347906141 /nfs/dbraw/zinc/90/61/41/347906141.db2.gz FEQLWXPATJRGQE-LLVKDONJSA-N 1 2 249.314 1.208 20 0 BDADLO O=C(C[N@H+]1CC=CCC1)NCc1ccco1 ZINC000679322250 490113721 /nfs/dbraw/zinc/11/37/21/490113721.db2.gz XMLILGKIFSOZKS-UHFFFAOYSA-N 1 2 220.272 1.158 20 0 BDADLO O=C(C[N@@H+]1CC=CCC1)NCc1ccco1 ZINC000679322250 490113724 /nfs/dbraw/zinc/11/37/24/490113724.db2.gz XMLILGKIFSOZKS-UHFFFAOYSA-N 1 2 220.272 1.158 20 0 BDADLO COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)C(=O)OC ZINC000593620796 347916938 /nfs/dbraw/zinc/91/69/38/347916938.db2.gz INZXXZYTQVVJCC-UWVGGRQHSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H]1C[N@H+](CCOCC2CCC2)CCC1=O ZINC000419275226 192110873 /nfs/dbraw/zinc/11/08/73/192110873.db2.gz SBRXWQBNAYLYTI-NSHDSACASA-N 1 2 225.332 1.714 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC2CCC2)CCC1=O ZINC000419275226 192110874 /nfs/dbraw/zinc/11/08/74/192110874.db2.gz SBRXWQBNAYLYTI-NSHDSACASA-N 1 2 225.332 1.714 20 0 BDADLO Cc1nn(C)c(C)c1CNc1cccc(CO)[nH+]1 ZINC000432751618 192371934 /nfs/dbraw/zinc/37/19/34/192371934.db2.gz YQUFCJFKMATASR-UHFFFAOYSA-N 1 2 246.314 1.536 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC)[C@@H]1CCCCO1 ZINC000594044928 347987540 /nfs/dbraw/zinc/98/75/40/347987540.db2.gz VDRVVOOHHOOYJK-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1noc(C[N@@H+](C)CCC(=O)OC(C)C)n1 ZINC000594051909 347988404 /nfs/dbraw/zinc/98/84/04/347988404.db2.gz BMFVFSLUXMJROI-UHFFFAOYSA-N 1 2 241.291 1.152 20 0 BDADLO Cc1noc(C[N@H+](C)CCC(=O)OC(C)C)n1 ZINC000594051909 347988408 /nfs/dbraw/zinc/98/84/08/347988408.db2.gz BMFVFSLUXMJROI-UHFFFAOYSA-N 1 2 241.291 1.152 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)C(=O)OC ZINC000594710219 348104330 /nfs/dbraw/zinc/10/43/30/348104330.db2.gz JLZVVNWMTSDNNK-WDEREUQCSA-N 1 2 236.315 1.726 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1C[C@H](OCC)C1)C(=O)OCC ZINC000594722695 348107753 /nfs/dbraw/zinc/10/77/53/348107753.db2.gz TZQWGTRSQPYEAI-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H]([NH2+]CCCOC(C)(C)C)C(=O)OC ZINC000594724083 348108526 /nfs/dbraw/zinc/10/85/26/348108526.db2.gz CKAAUYFUUFSOPT-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)C1CC1 ZINC000594732719 348109182 /nfs/dbraw/zinc/10/91/82/348109182.db2.gz XFQCHYKXQADFQX-MVWJERBFSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000594615532 348084010 /nfs/dbraw/zinc/08/40/10/348084010.db2.gz WFDWGXDUKABADC-DJLDLDEBSA-N 1 2 217.334 1.422 20 0 BDADLO Cc1cccn2c(CNCC(F)F)c[nH+]c12 ZINC000309815982 179354160 /nfs/dbraw/zinc/35/41/60/179354160.db2.gz ARRUJMITPJBDOR-UHFFFAOYSA-N 1 2 225.242 1.997 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)c1ncn(C)n1)CC(C)C ZINC000419258386 192115704 /nfs/dbraw/zinc/11/57/04/192115704.db2.gz NBIUIYZOQYWHFQ-WDEREUQCSA-N 1 2 240.351 1.527 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCOC[C@H]2C)c(C)c[nH+]1 ZINC000577461617 365956852 /nfs/dbraw/zinc/95/68/52/365956852.db2.gz MQQUKHNXERANQY-PWSUYJOCSA-N 1 2 248.326 1.731 20 0 BDADLO CSCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595433620 348249555 /nfs/dbraw/zinc/24/95/55/348249555.db2.gz NMNKJWFHHVWFAY-MRVPVSSYSA-N 1 2 242.348 1.143 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1C[C@@H](OCC)C1)C(=O)OC ZINC000419304828 192119723 /nfs/dbraw/zinc/11/97/23/192119723.db2.gz QEDUCVCRIQCURQ-TUAOUCFPSA-N 1 2 243.347 1.875 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@H](CC)C(=O)OC)C1 ZINC000419304779 192120229 /nfs/dbraw/zinc/12/02/29/192120229.db2.gz QBUMVKOWWHQYEF-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1ccccn1 ZINC000035125242 358454027 /nfs/dbraw/zinc/45/40/27/358454027.db2.gz ITPSCQZVWVAIPN-SNVBAGLBSA-N 1 2 216.288 1.666 20 0 BDADLO CC(C)OC(=O)CC[N@H+](C)Cc1cnc[nH]1 ZINC000595598206 348294715 /nfs/dbraw/zinc/29/47/15/348294715.db2.gz ZAOHSPJEKIKSBS-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)OC(=O)CC[N@@H+](C)Cc1cnc[nH]1 ZINC000595598206 348294716 /nfs/dbraw/zinc/29/47/16/348294716.db2.gz ZAOHSPJEKIKSBS-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1ncc[nH]1 ZINC000531333418 348295507 /nfs/dbraw/zinc/29/55/07/348295507.db2.gz POGQRWLKJKVUDW-LBPRGKRZSA-N 1 2 231.299 1.541 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@H](C(=O)OC)C2CC2)C1 ZINC000419304881 192120468 /nfs/dbraw/zinc/12/04/68/192120468.db2.gz QKRAMJYFKXGVNX-AXFHLTTASA-N 1 2 227.304 1.095 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000334727420 133741822 /nfs/dbraw/zinc/74/18/22/133741822.db2.gz KVLYFWVBSSRKMD-HTQZYQBOSA-N 1 2 244.216 1.949 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C(=O)OC ZINC000419325789 192122141 /nfs/dbraw/zinc/12/21/41/192122141.db2.gz BMPDKTBVWCVJBY-OPRDCNLKSA-N 1 2 223.272 1.677 20 0 BDADLO COCC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595707854 348319987 /nfs/dbraw/zinc/31/99/87/348319987.db2.gz WKIMLORTNIEIKP-UMSPYCQHSA-N 1 2 229.320 1.344 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCSC ZINC000595769138 348335917 /nfs/dbraw/zinc/33/59/17/348335917.db2.gz JUJIRUYNHBQAKN-SECBINFHSA-N 1 2 223.313 1.230 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCCCO ZINC000595771608 348336354 /nfs/dbraw/zinc/33/63/54/348336354.db2.gz ZUZQSKQDTDWLDW-LLVKDONJSA-N 1 2 235.299 1.030 20 0 BDADLO CCSCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595770822 348336663 /nfs/dbraw/zinc/33/66/63/348336663.db2.gz VXZZCVWWFOOEFQ-JTQLQIEISA-N 1 2 237.340 1.620 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC1=CCCC1 ZINC000595773574 348337317 /nfs/dbraw/zinc/33/73/17/348337317.db2.gz QINMNMNZADWMAP-GFCCVEGCSA-N 1 2 229.295 1.978 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCOC(C)C ZINC000595774605 348338144 /nfs/dbraw/zinc/33/81/44/348338144.db2.gz PSNQOQBPSQIZHJ-LLVKDONJSA-N 1 2 235.299 1.292 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC[C@H](C)O ZINC000595776153 348338738 /nfs/dbraw/zinc/33/87/38/348338738.db2.gz REVAMIIOKCPAGW-GXSJLCMTSA-N 1 2 235.299 1.028 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000595833731 348367503 /nfs/dbraw/zinc/36/75/03/348367503.db2.gz LLIVEXLSYLWBGD-SECBINFHSA-N 1 2 238.287 1.416 20 0 BDADLO COC(=O)CCC[N@H+](C)Cc1nnc(C)s1 ZINC000595886232 348389231 /nfs/dbraw/zinc/38/92/31/348389231.db2.gz SNALRBRLQBRISL-UHFFFAOYSA-N 1 2 243.332 1.232 20 0 BDADLO COC(=O)CCC[N@@H+](C)Cc1nnc(C)s1 ZINC000595886232 348389232 /nfs/dbraw/zinc/38/92/32/348389232.db2.gz SNALRBRLQBRISL-UHFFFAOYSA-N 1 2 243.332 1.232 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C(=O)OC ZINC000419359549 192126482 /nfs/dbraw/zinc/12/64/82/192126482.db2.gz RJEFAEGCVVPZMK-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO CCSC1(C[NH2+][C@@H](CC)C(=O)OC)CC1 ZINC000596046629 348428749 /nfs/dbraw/zinc/42/87/49/348428749.db2.gz QWSCFPSGCFENBY-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO CCSC1(C[NH2+][C@@H](C(=O)OC)C2CC2)CC1 ZINC000596045126 348428899 /nfs/dbraw/zinc/42/88/99/348428899.db2.gz ITFSIURYJJOWFC-SNVBAGLBSA-N 1 2 243.372 1.813 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC2CCC2)c1 ZINC000596122966 348454563 /nfs/dbraw/zinc/45/45/63/348454563.db2.gz QQDLIXVEDVWRHX-UHFFFAOYSA-N 1 2 220.272 1.762 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC[C@@H](F)C2)c1 ZINC000596252672 348474831 /nfs/dbraw/zinc/47/48/31/348474831.db2.gz IIVIYERLYYDYTB-SNVBAGLBSA-N 1 2 238.262 1.345 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000353339869 179500502 /nfs/dbraw/zinc/50/05/02/179500502.db2.gz XNGMWGQLGIONTH-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO COC(=O)c1occc1CNc1cc(C)[nH+]cn1 ZINC000596486756 348559377 /nfs/dbraw/zinc/55/93/77/348559377.db2.gz PTSOMXIZCRYUKC-UHFFFAOYSA-N 1 2 247.254 1.199 20 0 BDADLO Cc1cnc(C[NH+]2CCSCC2)cn1 ZINC000336252402 179596385 /nfs/dbraw/zinc/59/63/85/179596385.db2.gz UOIFBAKAMATZBS-UHFFFAOYSA-N 1 2 209.318 1.334 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OCC ZINC000396601725 348772578 /nfs/dbraw/zinc/77/25/78/348772578.db2.gz VGANUDBLQXAFLS-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO COCC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574458 323197906 /nfs/dbraw/zinc/19/79/06/323197906.db2.gz QGRFAEMTTSZUPB-UHFFFAOYSA-N 1 2 236.315 1.731 20 0 BDADLO CS[C@H](C)CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597859127 348829120 /nfs/dbraw/zinc/82/91/20/348829120.db2.gz ZOWSRHPHCUSFIL-SECBINFHSA-N 1 2 241.360 1.900 20 0 BDADLO CS[C@H](C)CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597859127 348829121 /nfs/dbraw/zinc/82/91/21/348829121.db2.gz ZOWSRHPHCUSFIL-SECBINFHSA-N 1 2 241.360 1.900 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCCn1cc[nH+]c1 ZINC000421743179 192378190 /nfs/dbraw/zinc/37/81/90/192378190.db2.gz JENBXQPRWMTCMP-UHFFFAOYSA-N 1 2 246.314 1.594 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H](C)CO ZINC000121240053 179710372 /nfs/dbraw/zinc/71/03/72/179710372.db2.gz HOIBVHDKRFHJDH-NXEZZACHSA-N 1 2 237.303 1.528 20 0 BDADLO CSCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459193 348976849 /nfs/dbraw/zinc/97/68/49/348976849.db2.gz DXTICLQSFYHCDY-QMMMGPOBSA-N 1 2 227.333 1.350 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccnc(C)c1 ZINC000598587294 348995758 /nfs/dbraw/zinc/99/57/58/348995758.db2.gz OLBXLBXNTUOPAP-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccnc(C)c1 ZINC000598587294 348995763 /nfs/dbraw/zinc/99/57/63/348995763.db2.gz OLBXLBXNTUOPAP-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C)c1 ZINC000598590668 348997672 /nfs/dbraw/zinc/99/76/72/348997672.db2.gz SGHKIMSKICNROF-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C)c1 ZINC000598590668 348997673 /nfs/dbraw/zinc/99/76/73/348997673.db2.gz SGHKIMSKICNROF-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CSC ZINC000598738268 349036163 /nfs/dbraw/zinc/03/61/63/349036163.db2.gz IBEQFKUATWWUBH-QMMMGPOBSA-N 1 2 227.333 1.443 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CSC ZINC000598738267 349036371 /nfs/dbraw/zinc/03/63/71/349036371.db2.gz IBEQFKUATWWUBH-MRVPVSSYSA-N 1 2 227.333 1.443 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000308913893 349066481 /nfs/dbraw/zinc/06/64/81/349066481.db2.gz FJQJFAZNIVAZKH-KXUCPTDWSA-N 1 2 215.293 1.095 20 0 BDADLO CCC[C@@H](C)CCC[NH2+][C@@](C)(CO)C(=O)OC ZINC000599436161 349176205 /nfs/dbraw/zinc/17/62/05/349176205.db2.gz BNBXRRTWJJGDQR-YPMHNXCESA-N 1 2 245.363 1.716 20 0 BDADLO Cc1n[nH]cc1CNc1cc[nH+]c(C(C)C)n1 ZINC000599558192 349217343 /nfs/dbraw/zinc/21/73/43/349217343.db2.gz XTXPIDJASFPIRY-UHFFFAOYSA-N 1 2 231.303 1.666 20 0 BDADLO COC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599598030 349223677 /nfs/dbraw/zinc/22/36/77/349223677.db2.gz VWMJCVWPWOJSKU-GFCCVEGCSA-N 1 2 229.320 1.080 20 0 BDADLO COC(=O)c1cnoc1C[NH+](C1CC1)C1CC1 ZINC000599599581 349232201 /nfs/dbraw/zinc/23/22/01/349232201.db2.gz MEQOVZCVSSCLSY-UHFFFAOYSA-N 1 2 236.271 1.588 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@@H]1CCCO1 ZINC000599650811 349234482 /nfs/dbraw/zinc/23/44/82/349234482.db2.gz YCCCYYVSOWEWSV-JTQLQIEISA-N 1 2 243.347 1.875 20 0 BDADLO CCCCc1cc(N[C@@H](CO)CCF)nc[nH+]1 ZINC000631339537 349265309 /nfs/dbraw/zinc/26/53/09/349265309.db2.gz ATMBIGRRSFMMHJ-LLVKDONJSA-N 1 2 241.310 1.952 20 0 BDADLO OCCCc1cn(-c2cc3c(nn2)CCC3)c[nH+]1 ZINC000599914019 349269834 /nfs/dbraw/zinc/26/98/34/349269834.db2.gz GIUBDHUXRZCDOL-UHFFFAOYSA-N 1 2 244.298 1.076 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813760 350037356 /nfs/dbraw/zinc/03/73/56/350037356.db2.gz HWNRXAAQDRARPQ-JTQLQIEISA-N 1 2 249.314 1.082 20 0 BDADLO c1cc(C[NH2+]CC2=Cc3ccccc3OC2)[nH]n1 ZINC000603824548 350040695 /nfs/dbraw/zinc/04/06/95/350040695.db2.gz CIXLVJDTFBVNDR-UHFFFAOYSA-N 1 2 241.294 1.975 20 0 BDADLO CCCCNc1cc(NCCC2CC2)nc(N)[nH+]1 ZINC000342262352 538047321 /nfs/dbraw/zinc/04/73/21/538047321.db2.gz CUUGTBUYUWWDBI-UHFFFAOYSA-N 1 2 249.362 1.735 20 0 BDADLO CCCCNc1cc(NCCC2CC2)[nH+]c(N)n1 ZINC000342262352 538047330 /nfs/dbraw/zinc/04/73/30/538047330.db2.gz CUUGTBUYUWWDBI-UHFFFAOYSA-N 1 2 249.362 1.735 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881340 350047790 /nfs/dbraw/zinc/04/77/90/350047790.db2.gz FHICEWQVUCQVOZ-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO Cc1[nH]ncc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881340 350047795 /nfs/dbraw/zinc/04/77/95/350047795.db2.gz FHICEWQVUCQVOZ-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC(C)OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884619 350048690 /nfs/dbraw/zinc/04/86/90/350048690.db2.gz KBWXJPBDEXAAQJ-UHFFFAOYSA-N 1 2 233.271 1.698 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cocn1 ZINC000603911146 350050252 /nfs/dbraw/zinc/05/02/52/350050252.db2.gz PPGLAZFSSQYRMY-UHFFFAOYSA-N 1 2 217.228 1.306 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H]([C@H](C)O)C2)[nH+]1 ZINC000355560472 180003549 /nfs/dbraw/zinc/00/35/49/180003549.db2.gz CAKANDFWSDAOOB-WCBMZHEXSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](O)CC2)no1 ZINC000331700196 180034214 /nfs/dbraw/zinc/03/42/14/180034214.db2.gz ZGOGPRWAWBXSSJ-SCZZXKLOSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](O)CC2)no1 ZINC000331700196 180034217 /nfs/dbraw/zinc/03/42/17/180034217.db2.gz ZGOGPRWAWBXSSJ-SCZZXKLOSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000331700346 180034433 /nfs/dbraw/zinc/03/44/33/180034433.db2.gz ZISFGQHLERZESH-BXKDBHETSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@](C)(O)CC2)no1 ZINC000331700346 180034438 /nfs/dbraw/zinc/03/44/38/180034438.db2.gz ZISFGQHLERZESH-BXKDBHETSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2CCCCO)no1 ZINC000363474841 180043034 /nfs/dbraw/zinc/04/30/34/180043034.db2.gz LBBOAQQGHVZHFM-NSHDSACASA-N 1 2 239.319 1.678 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2CCCCO)no1 ZINC000363474841 180043038 /nfs/dbraw/zinc/04/30/38/180043038.db2.gz LBBOAQQGHVZHFM-NSHDSACASA-N 1 2 239.319 1.678 20 0 BDADLO Cc1nc([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)no1 ZINC000363506366 180043143 /nfs/dbraw/zinc/04/31/43/180043143.db2.gz JHVPCXRNBMEHAQ-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)no1 ZINC000363506366 180043145 /nfs/dbraw/zinc/04/31/45/180043145.db2.gz JHVPCXRNBMEHAQ-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)no1 ZINC000363506366 180043146 /nfs/dbraw/zinc/04/31/46/180043146.db2.gz JHVPCXRNBMEHAQ-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)no1 ZINC000329782347 180050275 /nfs/dbraw/zinc/05/02/75/180050275.db2.gz NVBPWAMVSVWYJN-BKPPORCPSA-N 1 2 238.291 1.536 20 0 BDADLO Cc1nc([C@H]2CCCCN2Cc2c[nH+]c[nH]2)no1 ZINC000372840680 180056294 /nfs/dbraw/zinc/05/62/94/180056294.db2.gz WKUCNJIVBIOGBC-LLVKDONJSA-N 1 2 247.302 1.828 20 0 BDADLO Cc1nc([C@H]2CCCCN2Cc2c[nH]c[nH+]2)no1 ZINC000372840680 180056298 /nfs/dbraw/zinc/05/62/98/180056298.db2.gz WKUCNJIVBIOGBC-LLVKDONJSA-N 1 2 247.302 1.828 20 0 BDADLO Cc1nnc([C@H]2CC[N@H+](Cc3nccs3)C2)[nH]1 ZINC000333099513 180058321 /nfs/dbraw/zinc/05/83/21/180058321.db2.gz DPPPKZRIZNDFKT-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nnc([C@H]2CC[N@@H+](Cc3nccs3)C2)[nH]1 ZINC000333099513 180058324 /nfs/dbraw/zinc/05/83/24/180058324.db2.gz DPPPKZRIZNDFKT-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3nccs3)C2)n1 ZINC000333099513 180058326 /nfs/dbraw/zinc/05/83/26/180058326.db2.gz DPPPKZRIZNDFKT-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3nccs3)C2)n1 ZINC000333099513 180058329 /nfs/dbraw/zinc/05/83/29/180058329.db2.gz DPPPKZRIZNDFKT-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3nccs3)C2)n[nH]1 ZINC000333099513 180058332 /nfs/dbraw/zinc/05/83/32/180058332.db2.gz DPPPKZRIZNDFKT-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3nccs3)C2)n[nH]1 ZINC000333099513 180058334 /nfs/dbraw/zinc/05/83/34/180058334.db2.gz DPPPKZRIZNDFKT-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000604386864 350122713 /nfs/dbraw/zinc/12/27/13/350122713.db2.gz UXDUXLYWVUINRN-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000604386864 350122715 /nfs/dbraw/zinc/12/27/15/350122715.db2.gz UXDUXLYWVUINRN-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000636982070 350123243 /nfs/dbraw/zinc/12/32/43/350123243.db2.gz VRUYCOMZEJRBOP-ONGXEEELSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)C3(O)CCC3)cc2[nH+]1 ZINC000355378483 180095244 /nfs/dbraw/zinc/09/52/44/180095244.db2.gz QZTYDUYZSQFRFY-UHFFFAOYSA-N 1 2 245.282 1.725 20 0 BDADLO Cc1[nH]c2cc(NC(=O)C3(O)CCC3)ccc2[nH+]1 ZINC000355378483 180095246 /nfs/dbraw/zinc/09/52/46/180095246.db2.gz QZTYDUYZSQFRFY-UHFFFAOYSA-N 1 2 245.282 1.725 20 0 BDADLO Cc1nc(N[C@@H](C)CO)c2c([nH+]1)CCCC2 ZINC000272929770 180070045 /nfs/dbraw/zinc/07/00/45/180070045.db2.gz VIFUQPQTYAHHGQ-QMMMGPOBSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1nc2ccccn2c1C[NH2+]Cc1nnc[nH]1 ZINC000037919742 180107605 /nfs/dbraw/zinc/10/76/05/180107605.db2.gz HEGYXTPPJCWGBT-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000376612644 180109933 /nfs/dbraw/zinc/10/99/33/180109933.db2.gz WMFFWEFBKINRDY-OLZOCXBDSA-N 1 2 249.358 1.619 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000376612644 180109935 /nfs/dbraw/zinc/10/99/35/180109935.db2.gz WMFFWEFBKINRDY-OLZOCXBDSA-N 1 2 249.358 1.619 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@@H]1CCCC[C@@H]1O)C2 ZINC000376612644 180109936 /nfs/dbraw/zinc/10/99/36/180109936.db2.gz WMFFWEFBKINRDY-OLZOCXBDSA-N 1 2 249.358 1.619 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CCC[C@H]21 ZINC000334243176 538061184 /nfs/dbraw/zinc/06/11/84/538061184.db2.gz YEBCEZPHHLGJIV-ZYHUDNBSSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CCC[C@H]21 ZINC000334243176 538061193 /nfs/dbraw/zinc/06/11/93/538061193.db2.gz YEBCEZPHHLGJIV-ZYHUDNBSSA-N 1 2 233.315 1.743 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000336562293 180118662 /nfs/dbraw/zinc/11/86/62/180118662.db2.gz OUOFTVAMPWNMTF-XNCJUZBTSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1Cc2ccccc21 ZINC000336079777 180120060 /nfs/dbraw/zinc/12/00/60/180120060.db2.gz IWLOUHIWHBBUOM-LBPRGKRZSA-N 1 2 241.294 1.674 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1O ZINC000334771187 180120084 /nfs/dbraw/zinc/12/00/84/180120084.db2.gz BCRVWDNYLZSPSE-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccsc1 ZINC000336063778 180121671 /nfs/dbraw/zinc/12/16/71/180121671.db2.gz WOJHWPHBYSJOAH-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO Cc1nc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c[nH]1 ZINC000329371158 180126371 /nfs/dbraw/zinc/12/63/71/180126371.db2.gz MDVXGBVZGLVENT-JTQLQIEISA-N 1 2 245.286 1.419 20 0 BDADLO Cc1ncc(C[NH+]2CCN(C3CC3)CC2)s1 ZINC000299345214 180143198 /nfs/dbraw/zinc/14/31/98/180143198.db2.gz PHZKMBBJCSYNET-UHFFFAOYSA-N 1 2 237.372 1.732 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cnc(C)s1 ZINC000289464248 180154217 /nfs/dbraw/zinc/15/42/17/180154217.db2.gz ILRSTQDCENKWTE-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cnc(C)s1 ZINC000289464248 180154220 /nfs/dbraw/zinc/15/42/20/180154220.db2.gz ILRSTQDCENKWTE-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO CC(C)N(C(=O)COCc1[nH]cc[nH+]1)C(C)C ZINC000123759001 191075405 /nfs/dbraw/zinc/07/54/05/191075405.db2.gz PFUCFIYGRNTASY-UHFFFAOYSA-N 1 2 239.319 1.572 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2ccn(C)n2)c(C)n1 ZINC000358238804 180174173 /nfs/dbraw/zinc/17/41/73/180174173.db2.gz NIEAFTOBZKOJAE-VIFPVBQESA-N 1 2 245.330 1.678 20 0 BDADLO Cc1cc(NCC2(O)CCC2)nc(C2CC2)[nH+]1 ZINC000604756739 350187184 /nfs/dbraw/zinc/18/71/84/350187184.db2.gz UBVPFKPQLZGBOB-UHFFFAOYSA-N 1 2 233.315 1.411 20 0 BDADLO Cc1cc(NCc2nccn2C)nc(C2CC2)[nH+]1 ZINC000604757460 350187503 /nfs/dbraw/zinc/18/75/03/350187503.db2.gz IFZUELAPCXMBKC-UHFFFAOYSA-N 1 2 243.314 1.430 20 0 BDADLO Cc1nc(N2CC[C@@]3(C2)CCCOC3)cc[nH+]1 ZINC000376472331 180195507 /nfs/dbraw/zinc/19/55/07/180195507.db2.gz DHMKOGNGWMHYSI-CYBMUJFWSA-N 1 2 233.315 1.792 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000220107391 180202511 /nfs/dbraw/zinc/20/25/11/180202511.db2.gz TYPORCOLXPCGGK-WCBMZHEXSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(N[C@@H]2CCN(C(C)C)C2=O)cc[nH+]1 ZINC000266187050 180202799 /nfs/dbraw/zinc/20/27/99/180202799.db2.gz BDKHHOWENRWGIO-SNVBAGLBSA-N 1 2 234.303 1.206 20 0 BDADLO Cc1nc(N[C@@H](C)[C@H]2CCOC2)cc[nH+]1 ZINC000127237683 180203656 /nfs/dbraw/zinc/20/36/56/180203656.db2.gz QLFGIWQJKQQRQD-WPRPVWTQSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc(N[C@H](C)[C@@H]2CCOC2)cc[nH+]1 ZINC000127237477 180204818 /nfs/dbraw/zinc/20/48/18/180204818.db2.gz QLFGIWQJKQQRQD-PSASIEDQSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc(N[C@H](C)CO[C@@H]2CCOC2)cc[nH+]1 ZINC000133750876 180206065 /nfs/dbraw/zinc/20/60/65/180206065.db2.gz WOYVVNFSQWXATL-MWLCHTKSSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](O)C2(C)C)cc[nH+]1 ZINC000168301558 180207395 /nfs/dbraw/zinc/20/73/95/180207395.db2.gz JMBXWBNXHRJXQM-IUCAKERBSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1nc(NCc2ncccc2N(C)C)cc[nH+]1 ZINC000357622214 180181376 /nfs/dbraw/zinc/18/13/76/180181376.db2.gz MLLXNQPCNBSSSU-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371335958 180220461 /nfs/dbraw/zinc/22/04/61/180220461.db2.gz MTXGWPGSLJKURJ-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ncccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371335958 180220463 /nfs/dbraw/zinc/22/04/63/180220463.db2.gz MTXGWPGSLJKURJ-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO CCc1noc(C[N@@H+]2CCCOC(C)(C)C2)n1 ZINC000605000213 350235466 /nfs/dbraw/zinc/23/54/66/350235466.db2.gz XPGCNNBQDIEPLM-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+]2CCCOC(C)(C)C2)n1 ZINC000605000213 350235469 /nfs/dbraw/zinc/23/54/69/350235469.db2.gz XPGCNNBQDIEPLM-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)N2CC=CC2)c2[nH+]ccn21 ZINC000637197428 350257470 /nfs/dbraw/zinc/25/74/70/350257470.db2.gz IOFAZFPUWSEGHX-VHSXEESVSA-N 1 2 232.287 1.470 20 0 BDADLO C[C@H]1C[C@H](NC(=O)N2CC=CC2)c2[nH+]ccn21 ZINC000637197427 350257474 /nfs/dbraw/zinc/25/74/74/350257474.db2.gz IOFAZFPUWSEGHX-UWVGGRQHSA-N 1 2 232.287 1.470 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC=CC1 ZINC000637197791 350258228 /nfs/dbraw/zinc/25/82/28/350258228.db2.gz KZHIZOBWZAYLPN-SNVBAGLBSA-N 1 2 234.303 1.545 20 0 BDADLO CC(C)[N@H+](Cc1cnnn1C)Cc1cccnc1 ZINC000349252039 535118884 /nfs/dbraw/zinc/11/88/84/535118884.db2.gz SEVCPWGFPRPWEO-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC(C)[N@@H+](Cc1cnnn1C)Cc1cccnc1 ZINC000349252039 535118892 /nfs/dbraw/zinc/11/88/92/535118892.db2.gz SEVCPWGFPRPWEO-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO Cc1[nH+]ccn1Cc1nc(=O)c2sccc2[nH]1 ZINC000108657941 180268345 /nfs/dbraw/zinc/26/83/45/180268345.db2.gz MQPLDTVRFGKHJX-UHFFFAOYSA-N 1 2 246.295 1.538 20 0 BDADLO COC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000069054119 350323594 /nfs/dbraw/zinc/32/35/94/350323594.db2.gz AJHZEXAKMIVJMW-LLVKDONJSA-N 1 2 234.299 1.660 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC1(CO)COC1 ZINC000384338689 350288996 /nfs/dbraw/zinc/28/89/96/350288996.db2.gz BVHGXEZVMUGDEE-UHFFFAOYSA-N 1 2 237.299 1.340 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000289968608 180314815 /nfs/dbraw/zinc/31/48/15/180314815.db2.gz YXRYLIDRXPYNQU-LLVKDONJSA-N 1 2 244.335 1.748 20 0 BDADLO Cc1ncsc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000289968608 180314817 /nfs/dbraw/zinc/31/48/17/180314817.db2.gz YXRYLIDRXPYNQU-LLVKDONJSA-N 1 2 244.335 1.748 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074087441 490476767 /nfs/dbraw/zinc/47/67/67/490476767.db2.gz MJZVQWNDSCYXFE-QWRGUYRKSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1ncsc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000354920915 180325276 /nfs/dbraw/zinc/32/52/76/180325276.db2.gz PBSRKFZGMZAKGM-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO O=C(NCC1CC1)Nc1ccc2[nH+]ccn2c1 ZINC000606581683 350373084 /nfs/dbraw/zinc/37/30/84/350373084.db2.gz NAAPFRKAKHHXHE-UHFFFAOYSA-N 1 2 230.271 1.866 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12C[C@H]1CCC2 ZINC000617217208 350387979 /nfs/dbraw/zinc/38/79/79/350387979.db2.gz ZQBMPBYOIWYVLP-ZHSDAYTOSA-N 1 2 245.326 1.582 20 0 BDADLO CCc1cc(NC[C@@H]2CCCO2)nc[nH+]1 ZINC000040765064 350394658 /nfs/dbraw/zinc/39/46/58/350394658.db2.gz NHEMDYZVMMYPJL-JTQLQIEISA-N 1 2 207.277 1.630 20 0 BDADLO CCc1cc(NCc2c[nH]nc2C)nc[nH+]1 ZINC000040765186 350395533 /nfs/dbraw/zinc/39/55/33/350395533.db2.gz QKKSXNIBSJZXAS-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO O=C(CC1CCSCC1)NCc1c[nH+]c[nH]1 ZINC000125411883 490498920 /nfs/dbraw/zinc/49/89/20/490498920.db2.gz KTIPGRDWAOWVRJ-UHFFFAOYSA-N 1 2 239.344 1.559 20 0 BDADLO O=C(CC1CCSCC1)NCc1c[nH]c[nH+]1 ZINC000125411883 490498926 /nfs/dbraw/zinc/49/89/26/490498926.db2.gz KTIPGRDWAOWVRJ-UHFFFAOYSA-N 1 2 239.344 1.559 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)[C@@H]1CCOC1 ZINC000336678787 350436063 /nfs/dbraw/zinc/43/60/63/350436063.db2.gz CZIVSWOWANSODI-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)[C@@H]1CCOC1 ZINC000336678787 350436066 /nfs/dbraw/zinc/43/60/66/350436066.db2.gz CZIVSWOWANSODI-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccon1 ZINC000336782130 180375028 /nfs/dbraw/zinc/37/50/28/180375028.db2.gz WSRZQNHENUVXLT-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO CC[C@@H](NCc1c[nH+]cn1C)C(F)(F)F ZINC000336770675 350507246 /nfs/dbraw/zinc/50/72/46/350507246.db2.gz VUKPIZXDEIDRBY-MRVPVSSYSA-N 1 2 221.226 1.851 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000060676973 350498232 /nfs/dbraw/zinc/49/82/32/350498232.db2.gz PEHVQKQLQOREKN-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO CCC(=O)N1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000577509323 365974083 /nfs/dbraw/zinc/97/40/83/365974083.db2.gz DIVZUNBPXDMSNF-UHFFFAOYSA-N 1 2 234.303 1.110 20 0 BDADLO CCc1nc(C[NH2+]CC(=O)N(C)CC)cs1 ZINC000229521221 350579086 /nfs/dbraw/zinc/57/90/86/350579086.db2.gz ROQZQQFGRRIJBM-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000606898414 350619847 /nfs/dbraw/zinc/61/98/47/350619847.db2.gz GMCMIYGMOSSEBS-RKDXNWHRSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000606898414 350619851 /nfs/dbraw/zinc/61/98/51/350619851.db2.gz GMCMIYGMOSSEBS-RKDXNWHRSA-N 1 2 239.237 1.429 20 0 BDADLO CCOC1(C)C[NH+](Cc2oc(C)nc2C)C1 ZINC000628307665 350607688 /nfs/dbraw/zinc/60/76/88/350607688.db2.gz WGPWKWMBMREXRI-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO COCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606902103 350626867 /nfs/dbraw/zinc/62/68/67/350626867.db2.gz COUVSSZMOMFRSW-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO COCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606902103 350626869 /nfs/dbraw/zinc/62/68/69/350626869.db2.gz COUVSSZMOMFRSW-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000335670791 538098535 /nfs/dbraw/zinc/09/85/35/538098535.db2.gz KICFGGABDMOMSV-NXEZZACHSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000335670791 538098537 /nfs/dbraw/zinc/09/85/37/538098537.db2.gz KICFGGABDMOMSV-NXEZZACHSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2ncnn2C)[C@H]1C ZINC000177202689 365985579 /nfs/dbraw/zinc/98/55/79/365985579.db2.gz VFDAHDUBLRBWEC-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2ncnn2C)[C@H]1C ZINC000177202689 365985587 /nfs/dbraw/zinc/98/55/87/365985587.db2.gz VFDAHDUBLRBWEC-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO FC(F)(F)[C@@H]1C[C@H](Nc2c[nH]c[nH+]2)CCO1 ZINC000309528737 350701972 /nfs/dbraw/zinc/70/19/72/350701972.db2.gz CTEPPCDUPKFVBQ-RQJHMYQMSA-N 1 2 235.209 1.932 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cn[nH]c1)CC2 ZINC000624046797 350683246 /nfs/dbraw/zinc/68/32/46/350683246.db2.gz LTGOEYFEGKWIED-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)COC)C(=O)OCC ZINC000097988013 350726900 /nfs/dbraw/zinc/72/69/00/350726900.db2.gz AEQRUZNOWXJNMU-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cccnc2C)n1 ZINC000356887967 180496107 /nfs/dbraw/zinc/49/61/07/180496107.db2.gz CARYWQFEODKMHR-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3CCCCN3C2=O)cc[nH+]1 ZINC000563323139 350819042 /nfs/dbraw/zinc/81/90/42/350819042.db2.gz GNHFBQPDVYJYMD-WDEREUQCSA-N 1 2 246.314 1.350 20 0 BDADLO CC[N@H+](Cc1noc(C(C)C)n1)[C@H](C)CO ZINC000339629882 350769683 /nfs/dbraw/zinc/76/96/83/350769683.db2.gz DLMLSOUDDSUTMK-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)C)n1)[C@H](C)CO ZINC000339629882 350769684 /nfs/dbraw/zinc/76/96/84/350769684.db2.gz DLMLSOUDDSUTMK-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)[C@@H](C)CO ZINC000339627904 350769708 /nfs/dbraw/zinc/76/97/08/350769708.db2.gz MUZDSGWRQBFTCB-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)[C@@H](C)CO ZINC000339627904 350769709 /nfs/dbraw/zinc/76/97/09/350769709.db2.gz MUZDSGWRQBFTCB-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](CF)C2)o1 ZINC000628310166 350788467 /nfs/dbraw/zinc/78/84/67/350788467.db2.gz QDLOWSQSFRPOQE-SNVBAGLBSA-N 1 2 228.267 1.462 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](CF)C2)o1 ZINC000628310166 350788470 /nfs/dbraw/zinc/78/84/70/350788470.db2.gz QDLOWSQSFRPOQE-SNVBAGLBSA-N 1 2 228.267 1.462 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](F)C1 ZINC000616611296 350810746 /nfs/dbraw/zinc/81/07/46/350810746.db2.gz BVFIFWDCEZCJCO-VIFPVBQESA-N 1 2 232.299 1.555 20 0 BDADLO CC(C)(C)OC(=O)NCC[N@H+]1CC[C@H](F)C1 ZINC000616611296 350810748 /nfs/dbraw/zinc/81/07/48/350810748.db2.gz BVFIFWDCEZCJCO-VIFPVBQESA-N 1 2 232.299 1.555 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@]1(C)CCOC1 ZINC000397391559 350836113 /nfs/dbraw/zinc/83/61/13/350836113.db2.gz QSDITRRYBNWDTI-GFCCVEGCSA-N 1 2 247.302 1.202 20 0 BDADLO C[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607145921 350945798 /nfs/dbraw/zinc/94/57/98/350945798.db2.gz CXYOQMXYQADMSZ-JTQLQIEISA-N 1 2 229.287 1.509 20 0 BDADLO C[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607145922 350945988 /nfs/dbraw/zinc/94/59/88/350945988.db2.gz CXYOQMXYQADMSZ-SNVBAGLBSA-N 1 2 229.287 1.509 20 0 BDADLO C[C@@](CO)([NH2+]Cc1ccon1)c1ccccc1 ZINC000607152231 351030886 /nfs/dbraw/zinc/03/08/86/351030886.db2.gz XQGMJRYYYBCRCB-ZDUSSCGKSA-N 1 2 232.283 1.672 20 0 BDADLO C[C@@H]1CC([NH2+]Cc2c[nH]nn2)C[C@@H](C)C1 ZINC000398335957 351036932 /nfs/dbraw/zinc/03/69/32/351036932.db2.gz SRFQSFFZDBCCGT-IUCAKERBSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC([NH2+]Cc2cn[nH]n2)C[C@@H](C)C1 ZINC000398335957 351036934 /nfs/dbraw/zinc/03/69/34/351036934.db2.gz SRFQSFFZDBCCGT-IUCAKERBSA-N 1 2 208.309 1.719 20 0 BDADLO Cc1cccc(C)c1C[NH2+]Cc1c[nH]nn1 ZINC000398353960 351048698 /nfs/dbraw/zinc/04/86/98/351048698.db2.gz URHJESFOFFLFNO-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cccc(C)c1C[NH2+]Cc1cn[nH]n1 ZINC000398353960 351048702 /nfs/dbraw/zinc/04/87/02/351048702.db2.gz URHJESFOFFLFNO-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CCC[C@@H](O)C1 ZINC000623869207 351085090 /nfs/dbraw/zinc/08/50/90/351085090.db2.gz RKLIAQVCDHDWRW-VHSXEESVSA-N 1 2 222.288 1.806 20 0 BDADLO Cc1[nH]c(CN2CCC[C@H](F)C2)[nH+]c1C ZINC000628326892 351261745 /nfs/dbraw/zinc/26/17/45/351261745.db2.gz ZOEKJXFQRBXKCI-JTQLQIEISA-N 1 2 211.284 1.960 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)o1 ZINC000628337724 351280358 /nfs/dbraw/zinc/28/03/58/351280358.db2.gz OVDFPCPUHKWDBL-NSHDSACASA-N 1 2 237.347 1.945 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H]2C)nc(N)[nH+]1 ZINC000379923487 351289041 /nfs/dbraw/zinc/28/90/41/351289041.db2.gz SOROSKXVVKYMCY-SVRRBLITSA-N 1 2 207.281 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@H]2C)[nH+]1 ZINC000379923487 351289045 /nfs/dbraw/zinc/28/90/45/351289045.db2.gz SOROSKXVVKYMCY-SVRRBLITSA-N 1 2 207.281 1.193 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cnc3ccccn23)n1 ZINC000607288176 351296341 /nfs/dbraw/zinc/29/63/41/351296341.db2.gz WZMIYRWYAONMQO-UHFFFAOYSA-N 1 2 227.271 1.347 20 0 BDADLO CC(C)(C)c1nc[nH]c1C(=O)NCc1[nH]cc[nH+]1 ZINC000631239148 351270590 /nfs/dbraw/zinc/27/05/90/351270590.db2.gz PJPCUBWKSJSNPO-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO CC[N@@H+](Cc1nccc(N)n1)C[C@@H]1CCCO1 ZINC000269685034 351365642 /nfs/dbraw/zinc/36/56/42/351365642.db2.gz VBYSRVUXXPEPFO-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO CC[N@H+](Cc1nccc(N)n1)C[C@@H]1CCCO1 ZINC000269685034 351365645 /nfs/dbraw/zinc/36/56/45/351365645.db2.gz VBYSRVUXXPEPFO-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO c1cc2c(nc(C3CC3)[nH+]c2N[C@H]2CCOC2)[nH]1 ZINC000631178317 351374349 /nfs/dbraw/zinc/37/43/49/351374349.db2.gz GXVASVIXNPFEDG-VIFPVBQESA-N 1 2 244.298 1.458 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCC(C)(C)CO ZINC000577650253 366033050 /nfs/dbraw/zinc/03/30/50/366033050.db2.gz KJYDRLUMJZNOKV-UHFFFAOYSA-N 1 2 237.347 1.726 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000618857374 351642335 /nfs/dbraw/zinc/64/23/35/351642335.db2.gz DZNPPYVHHBQVOT-CABZTGNLSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000618857374 351642336 /nfs/dbraw/zinc/64/23/36/351642336.db2.gz DZNPPYVHHBQVOT-CABZTGNLSA-N 1 2 235.331 1.893 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccns1)C2 ZINC000637816975 351657813 /nfs/dbraw/zinc/65/78/13/351657813.db2.gz PKPFXEDOCMRIEB-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cc1cc(C)c(CNC(=O)C(C)(C)CO)c[nH+]1 ZINC000577649220 366030597 /nfs/dbraw/zinc/03/05/97/366030597.db2.gz WSCAAZYCQFHXNW-UHFFFAOYSA-N 1 2 236.315 1.333 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(F)F ZINC000577700387 366038483 /nfs/dbraw/zinc/03/84/83/366038483.db2.gz VAEWBCUDEITOMF-MRVPVSSYSA-N 1 2 246.261 1.226 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ccccc1CO ZINC000577768477 366058892 /nfs/dbraw/zinc/05/88/92/366058892.db2.gz DRDPXKLUPXVYFX-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000618860739 351744610 /nfs/dbraw/zinc/74/46/10/351744610.db2.gz QQJAOKLEEZCGCZ-NEPJUHHUSA-N 1 2 247.342 1.750 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H](C)C2)c1C ZINC000637884195 351748846 /nfs/dbraw/zinc/74/88/46/351748846.db2.gz VHULLOGTZPUKNE-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H](C)C2)c1C ZINC000637884195 351748847 /nfs/dbraw/zinc/74/88/47/351748847.db2.gz VHULLOGTZPUKNE-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccco1 ZINC000607629380 351787335 /nfs/dbraw/zinc/78/73/35/351787335.db2.gz XYRGJZCHNGNMTP-MNOVXSKESA-N 1 2 247.298 1.785 20 0 BDADLO Cc1cc(NC[C@@H](C)CO)nc(C(C)C)[nH+]1 ZINC000088389844 351794574 /nfs/dbraw/zinc/79/45/74/351794574.db2.gz TWHLRSJRACXVSM-SECBINFHSA-N 1 2 223.320 1.949 20 0 BDADLO c1cc(C[NH+]2CCSCC2)sn1 ZINC000637888330 351759915 /nfs/dbraw/zinc/75/99/15/351759915.db2.gz CGGGKIAKBNLXNI-UHFFFAOYSA-N 1 2 200.332 1.692 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@]1(OC)CCOC1 ZINC000637992373 351869297 /nfs/dbraw/zinc/86/92/97/351869297.db2.gz FNJQOGMUJCJGQE-NSHDSACASA-N 1 2 237.290 1.769 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@]1(OC)CCOC1 ZINC000637992373 351869300 /nfs/dbraw/zinc/86/93/00/351869300.db2.gz FNJQOGMUJCJGQE-NSHDSACASA-N 1 2 237.290 1.769 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+]1CCn2cnnc2C1)OC ZINC000638049971 351927598 /nfs/dbraw/zinc/92/75/98/351927598.db2.gz PTYWCRWMSHPKGQ-WDEREUQCSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+]1CCn2cnnc2C1)OC ZINC000638049971 351927602 /nfs/dbraw/zinc/92/76/02/351927602.db2.gz PTYWCRWMSHPKGQ-WDEREUQCSA-N 1 2 238.335 1.155 20 0 BDADLO CCCC[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000282246703 351928068 /nfs/dbraw/zinc/92/80/68/351928068.db2.gz QEIAZHBPDYKJCP-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1c[nH]c2ncncc12 ZINC000638103269 351982692 /nfs/dbraw/zinc/98/26/92/351982692.db2.gz ZPFOQEFSDORZLC-UHFFFAOYSA-N 1 2 243.270 1.530 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1c[nH]c2ncncc12 ZINC000638103269 351982695 /nfs/dbraw/zinc/98/26/95/351982695.db2.gz ZPFOQEFSDORZLC-UHFFFAOYSA-N 1 2 243.270 1.530 20 0 BDADLO CC[NH2+][C@@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000638313552 352139354 /nfs/dbraw/zinc/13/93/54/352139354.db2.gz AITNSURBYXJENE-LURJTMIESA-N 1 2 246.261 1.592 20 0 BDADLO OCc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000630073995 363157504 /nfs/dbraw/zinc/15/75/04/363157504.db2.gz CXRGLRYDFBGROD-UHFFFAOYSA-N 1 2 233.311 1.544 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000149889628 538102645 /nfs/dbraw/zinc/10/26/45/538102645.db2.gz CLRXYWKNZGPBMT-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1n[nH]c2c1CC[N@H+](Cc1cccnc1)C2 ZINC000149889628 538102646 /nfs/dbraw/zinc/10/26/46/538102646.db2.gz CLRXYWKNZGPBMT-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](n3cccn3)C2)[nH]1 ZINC000291756923 352288223 /nfs/dbraw/zinc/28/82/23/352288223.db2.gz KYRVMGOYPFAPHY-JTQLQIEISA-N 1 2 246.318 1.011 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](n3cccn3)C2)[nH]1 ZINC000291756923 352288230 /nfs/dbraw/zinc/28/82/30/352288230.db2.gz KYRVMGOYPFAPHY-JTQLQIEISA-N 1 2 246.318 1.011 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H](C)CC2)nc(N)[nH+]1 ZINC000383580772 352302104 /nfs/dbraw/zinc/30/21/04/352302104.db2.gz LVOQSNNJERGYIZ-WPRPVWTQSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@H](C)CC2)[nH+]1 ZINC000383580772 352302108 /nfs/dbraw/zinc/30/21/08/352302108.db2.gz LVOQSNNJERGYIZ-WPRPVWTQSA-N 1 2 235.335 1.973 20 0 BDADLO CCc1nc(C)c(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000293589547 352355703 /nfs/dbraw/zinc/35/57/03/352355703.db2.gz GCTDADMYRDWGRQ-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO COC(=O)C[N@H+](CCc1cncs1)C(C)C ZINC000411355873 191180422 /nfs/dbraw/zinc/18/04/22/191180422.db2.gz SROOUSIPHSSWKT-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)C[N@@H+](CCc1cncs1)C(C)C ZINC000411355873 191180424 /nfs/dbraw/zinc/18/04/24/191180424.db2.gz SROOUSIPHSSWKT-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO CCN1CC[N@H+](Cc2ccncc2C)CC1=O ZINC000295416964 352412023 /nfs/dbraw/zinc/41/20/23/352412023.db2.gz NNZLFXDPZHFNDK-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCN1CC[N@@H+](Cc2ccncc2C)CC1=O ZINC000295416964 352412025 /nfs/dbraw/zinc/41/20/25/352412025.db2.gz NNZLFXDPZHFNDK-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCC(CC)([NH2+]CC[C@@H](C)O)C(=O)OC ZINC000411545671 191193014 /nfs/dbraw/zinc/19/30/14/191193014.db2.gz XWSNGVXORCYWKW-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)OC ZINC000411763473 191209446 /nfs/dbraw/zinc/20/94/46/191209446.db2.gz YIYPSAAKBZZKGF-UHFFFAOYSA-N 1 2 245.319 1.261 20 0 BDADLO CC[C@H]([NH2+]Cc1ncnn1C)c1ccncc1 ZINC000638677200 352516983 /nfs/dbraw/zinc/51/69/83/352516983.db2.gz AQJATAMVGAOICO-NSHDSACASA-N 1 2 231.303 1.451 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncnn1CC)c1ccncc1 ZINC000638679033 352517242 /nfs/dbraw/zinc/51/72/42/352517242.db2.gz ZNXAPXOGTYXOLX-GFCCVEGCSA-N 1 2 245.330 1.934 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)o1 ZINC000638688059 352526572 /nfs/dbraw/zinc/52/65/72/352526572.db2.gz DOTYQGROMLSAFT-GDPRMGEGSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccn1 ZINC000608008733 352598988 /nfs/dbraw/zinc/59/89/88/352598988.db2.gz LPUBPXKZGGAAKD-JTQLQIEISA-N 1 2 230.271 1.156 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@H](CF)C2)nn1C ZINC000411865941 191223875 /nfs/dbraw/zinc/22/38/75/191223875.db2.gz WPYUGAUBGFMVCZ-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@H](CF)C2)nn1C ZINC000411865941 191223877 /nfs/dbraw/zinc/22/38/77/191223877.db2.gz WPYUGAUBGFMVCZ-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(CC1CC1)CC1CC1 ZINC000073731411 352671508 /nfs/dbraw/zinc/67/15/08/352671508.db2.gz ULLORIAQXRGILJ-UHFFFAOYSA-N 1 2 233.315 1.532 20 0 BDADLO CO[C@@H](CNc1ccc(C)[nH+]c1)[C@H]1CCOC1 ZINC000638761863 352699447 /nfs/dbraw/zinc/69/94/47/352699447.db2.gz MKPBSAMBACALQV-AAEUAGOBSA-N 1 2 236.315 1.853 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)o1 ZINC000638743650 352676522 /nfs/dbraw/zinc/67/65/22/352676522.db2.gz MNEGBVYMRNNONC-SNVBAGLBSA-N 1 2 232.287 1.353 20 0 BDADLO Cc1nc(NCC2(C3CC3)CCC2)nc(N)[nH+]1 ZINC000393620710 352686321 /nfs/dbraw/zinc/68/63/21/352686321.db2.gz PCHFGAFPQSPOQD-UHFFFAOYSA-N 1 2 233.319 1.007 20 0 BDADLO Cc1nc(N)nc(NCC2(C3CC3)CCC2)[nH+]1 ZINC000393620710 352686324 /nfs/dbraw/zinc/68/63/24/352686324.db2.gz PCHFGAFPQSPOQD-UHFFFAOYSA-N 1 2 233.319 1.007 20 0 BDADLO COc1ccc(NCCC[C@H]2CCO2)[nH+]c1 ZINC000638779624 352729144 /nfs/dbraw/zinc/72/91/44/352729144.db2.gz PBQIMYKZGOXDAL-JTQLQIEISA-N 1 2 222.288 1.493 20 0 BDADLO CO[C@H](CNc1c[nH+]cc(C)c1)[C@H]1CCOC1 ZINC000638787515 352743304 /nfs/dbraw/zinc/74/33/04/352743304.db2.gz IOWLQKSLITZVDG-WCQYABFASA-N 1 2 236.315 1.853 20 0 BDADLO Cc1nnc(N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000608082785 352749499 /nfs/dbraw/zinc/74/94/99/352749499.db2.gz KTTANACXFOOPKH-JTQLQIEISA-N 1 2 249.343 1.885 20 0 BDADLO Cc1ccc(NCc2ncnn2C)c(C)[nH+]1 ZINC000638792843 352755293 /nfs/dbraw/zinc/75/52/93/352755293.db2.gz SMEDQHPJUUBFSE-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000334174564 352759508 /nfs/dbraw/zinc/75/95/08/352759508.db2.gz BARISSFCZPNGAW-NSHDSACASA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000334174564 352759509 /nfs/dbraw/zinc/75/95/09/352759509.db2.gz BARISSFCZPNGAW-NSHDSACASA-N 1 2 216.300 1.335 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000334242124 352830168 /nfs/dbraw/zinc/83/01/68/352830168.db2.gz XDPFONWIZRYMGA-CMPLNLGQSA-N 1 2 231.299 1.828 20 0 BDADLO O=C(c1cncs1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334232395 352850421 /nfs/dbraw/zinc/85/04/21/352850421.db2.gz MVXVUMLSYHWEAZ-MRVPVSSYSA-N 1 2 248.311 1.844 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CC[C@H](F)C2)cc[nH+]1 ZINC000334236387 352854358 /nfs/dbraw/zinc/85/43/58/352854358.db2.gz HUMFZGWKCPJCFK-VHSXEESVSA-N 1 2 237.278 1.824 20 0 BDADLO Cc1c[nH+]c(CN(C)CCOCC2CC2)n1C ZINC000342805647 352860370 /nfs/dbraw/zinc/86/03/70/352860370.db2.gz GQJBQCXTKDNIBU-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO Cc1cnc(C[N@H+](C)CCOCC2CC2)n1C ZINC000342805647 352860377 /nfs/dbraw/zinc/86/03/77/352860377.db2.gz GQJBQCXTKDNIBU-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCOCC2CC2)n1C ZINC000342805647 352860380 /nfs/dbraw/zinc/86/03/80/352860380.db2.gz GQJBQCXTKDNIBU-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)n1C ZINC000342852403 352875278 /nfs/dbraw/zinc/87/52/78/352875278.db2.gz CKRDUCDCEALZGB-DGCLKSJQSA-N 1 2 249.358 1.728 20 0 BDADLO CC(C)(C(=O)N1CCCCC1)c1c[nH+]c[nH]1 ZINC000334282305 352923468 /nfs/dbraw/zinc/92/34/68/352923468.db2.gz YDMPDAFCFLJKAE-UHFFFAOYSA-N 1 2 221.304 1.700 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@H]2CCCO2)nc[nH+]1 ZINC000343053306 352936167 /nfs/dbraw/zinc/93/61/67/352936167.db2.gz RZESVPQBLLAAFD-VXGBXAGGSA-N 1 2 233.315 1.933 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccn1 ZINC000342863098 352880940 /nfs/dbraw/zinc/88/09/40/352880940.db2.gz GASVYNKJRFKOJE-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccn1 ZINC000342863098 352880943 /nfs/dbraw/zinc/88/09/43/352880943.db2.gz GASVYNKJRFKOJE-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334267409 352903327 /nfs/dbraw/zinc/90/33/27/352903327.db2.gz ORCLBBUJIFPKOC-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334267409 352903330 /nfs/dbraw/zinc/90/33/30/352903330.db2.gz ORCLBBUJIFPKOC-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO CCc1[nH]ccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000334338883 352972975 /nfs/dbraw/zinc/97/29/75/352972975.db2.gz ZPCTZEZCOFAPTP-UHFFFAOYSA-N 1 2 229.283 1.955 20 0 BDADLO C[C@H]1CC[C@](CO)([N@H+](C)CC(F)F)C1 ZINC000187965783 538106394 /nfs/dbraw/zinc/10/63/94/538106394.db2.gz IMKGWVAZFPHDPJ-WPRPVWTQSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[C@](CO)([N@@H+](C)CC(F)F)C1 ZINC000187965783 538106396 /nfs/dbraw/zinc/10/63/96/538106396.db2.gz IMKGWVAZFPHDPJ-WPRPVWTQSA-N 1 2 207.264 1.734 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000334328693 352966045 /nfs/dbraw/zinc/96/60/45/352966045.db2.gz NFTYQXVMPPHIKQ-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1 ZINC000334328693 352966050 /nfs/dbraw/zinc/96/60/50/352966050.db2.gz NFTYQXVMPPHIKQ-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO CO[C@H](C[N@@H+]1CCC(F)(F)C1)C1CCOCC1 ZINC000638842582 353019256 /nfs/dbraw/zinc/01/92/56/353019256.db2.gz VNVGPTUSRVZVMG-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@H](C[N@H+]1CCC(F)(F)C1)C1CCOCC1 ZINC000638842582 353019258 /nfs/dbraw/zinc/01/92/58/353019258.db2.gz VNVGPTUSRVZVMG-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cnn(C)c1 ZINC000379483123 538106666 /nfs/dbraw/zinc/10/66/66/538106666.db2.gz DWGQMMQRNRRLQW-BQBZGAKWSA-N 1 2 203.236 1.724 20 0 BDADLO CC(C)(C)c1noc(C[N@H+](CCO)C2CC2)n1 ZINC000048065311 353154568 /nfs/dbraw/zinc/15/45/68/353154568.db2.gz IQQKJLPGXSGBET-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000048065311 353154573 /nfs/dbraw/zinc/15/45/73/353154573.db2.gz IQQKJLPGXSGBET-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO CCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000002012538 538108954 /nfs/dbraw/zinc/10/89/54/538108954.db2.gz WBGVSNHEQXKTQG-UHFFFAOYSA-N 1 2 209.297 1.458 20 0 BDADLO CCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000002012538 538108955 /nfs/dbraw/zinc/10/89/55/538108955.db2.gz WBGVSNHEQXKTQG-UHFFFAOYSA-N 1 2 209.297 1.458 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@@H]2CCO)no1 ZINC000050105163 353170850 /nfs/dbraw/zinc/17/08/50/353170850.db2.gz RKODVIRQKRCMKE-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@@H]2CCO)no1 ZINC000050105163 353170853 /nfs/dbraw/zinc/17/08/53/353170853.db2.gz RKODVIRQKRCMKE-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO Cn1ncc(Cl)c1CNc1c[nH]c[nH+]1 ZINC000307099308 353172829 /nfs/dbraw/zinc/17/28/29/353172829.db2.gz RUNGRNFWCDNQDR-UHFFFAOYSA-N 1 2 211.656 1.409 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)C(=O)Nc1ccccc1 ZINC000093326703 538109848 /nfs/dbraw/zinc/10/98/48/538109848.db2.gz IVTXXWUDTKYRLU-JTQLQIEISA-N 1 2 245.282 1.791 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000134468411 538112664 /nfs/dbraw/zinc/11/26/64/538112664.db2.gz PVJBFQHWMNKGCZ-MRVPVSSYSA-N 1 2 227.308 1.492 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000134559731 538113486 /nfs/dbraw/zinc/11/34/86/538113486.db2.gz VMOFFBHETXKXPG-PSASIEDQSA-N 1 2 209.293 1.548 20 0 BDADLO CC1(O)C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000084356662 538113786 /nfs/dbraw/zinc/11/37/86/538113786.db2.gz GZRCCZVDTWKENI-UHFFFAOYSA-N 1 2 211.692 1.907 20 0 BDADLO CC1(O)C[NH+](Cc2ccccc2Cl)C1 ZINC000084357464 538113808 /nfs/dbraw/zinc/11/38/08/538113808.db2.gz RRHHGLGFHUUMDE-UHFFFAOYSA-N 1 2 211.692 1.907 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000134552639 538113156 /nfs/dbraw/zinc/11/31/56/538113156.db2.gz QJQYNTFUOJXEGB-ONGXEEELSA-N 1 2 223.320 1.938 20 0 BDADLO CC(=O)N1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000071413703 188258931 /nfs/dbraw/zinc/25/89/31/188258931.db2.gz UREDVJIBYOXSTF-UHFFFAOYSA-N 1 2 233.315 1.813 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCC[C@H]2O)nc[nH+]1 ZINC000301880748 188233125 /nfs/dbraw/zinc/23/31/25/188233125.db2.gz ZSEWCLBBNLBYJR-GHMZBOCLSA-N 1 2 221.304 1.382 20 0 BDADLO O=C(NCCF)c1cccc(Cn2cc[nH+]c2)c1 ZINC000357679919 188239858 /nfs/dbraw/zinc/23/98/58/188239858.db2.gz WIEPBKHUTKVNNA-UHFFFAOYSA-N 1 2 247.273 1.631 20 0 BDADLO CCOC(=O)C[N@H+](CCOC(C)(C)C)C1CC1 ZINC000122167462 324031662 /nfs/dbraw/zinc/03/16/62/324031662.db2.gz QUCGOUWVMMJDCX-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC(C)(C)C)C1CC1 ZINC000122167462 324031667 /nfs/dbraw/zinc/03/16/67/324031667.db2.gz QUCGOUWVMMJDCX-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO CCCc1nc(C(=O)NCCc2[nH]cc[nH+]2)co1 ZINC000353775522 353291296 /nfs/dbraw/zinc/29/12/96/353291296.db2.gz SYERCNSWMMKKIN-UHFFFAOYSA-N 1 2 248.286 1.323 20 0 BDADLO c1coc(C[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000331462433 188255387 /nfs/dbraw/zinc/25/53/87/188255387.db2.gz NBPRTAPOVKPMRS-JTQLQIEISA-N 1 2 218.260 1.496 20 0 BDADLO CC(C)c1nc(N(C)[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000343272185 353294457 /nfs/dbraw/zinc/29/44/57/353294457.db2.gz SSWQKZGIXUYEIP-SNVBAGLBSA-N 1 2 248.330 1.267 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000061707988 188302582 /nfs/dbraw/zinc/30/25/82/188302582.db2.gz KPCUDVHZKRIPNF-SECBINFHSA-N 1 2 224.304 1.539 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H](O)C2)o1 ZINC000061707988 188302584 /nfs/dbraw/zinc/30/25/84/188302584.db2.gz KPCUDVHZKRIPNF-SECBINFHSA-N 1 2 224.304 1.539 20 0 BDADLO Cc1cc(N2CCOC[C@@H]2[C@H]2CCCO2)nc[nH+]1 ZINC000343278317 353313924 /nfs/dbraw/zinc/31/39/24/353313924.db2.gz WXRPPEYXRIDDLY-VXGBXAGGSA-N 1 2 249.314 1.169 20 0 BDADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC(F)C1 ZINC000639039409 353319972 /nfs/dbraw/zinc/31/99/72/353319972.db2.gz UEOAEHBQOOHONP-JTQLQIEISA-N 1 2 209.268 1.525 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccns2)[C@@H](C)CN1C ZINC000639057975 353363678 /nfs/dbraw/zinc/36/36/78/353363678.db2.gz HPLUGKBTVLLGSY-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccns2)[C@@H](C)CN1C ZINC000639057975 353363680 /nfs/dbraw/zinc/36/36/80/353363680.db2.gz HPLUGKBTVLLGSY-UWVGGRQHSA-N 1 2 225.361 1.668 20 0 BDADLO OCC[C@H]([NH2+]Cc1ccns1)c1ccco1 ZINC000639054135 353352831 /nfs/dbraw/zinc/35/28/31/353352831.db2.gz RJMXVOYIODLPGJ-JTQLQIEISA-N 1 2 238.312 1.949 20 0 BDADLO C(c1nnc2n1CCCC2)[NH+]1CCCCC1 ZINC000336354454 188338971 /nfs/dbraw/zinc/33/89/71/188338971.db2.gz HYLQMRVVTOYMQK-UHFFFAOYSA-N 1 2 220.320 1.600 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CCC[C@@H]1O ZINC000343290410 353370100 /nfs/dbraw/zinc/37/01/00/353370100.db2.gz RMHVEBYKQNBVNG-QWRGUYRKSA-N 1 2 233.315 1.704 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000309658102 188345536 /nfs/dbraw/zinc/34/55/36/188345536.db2.gz QMQDKEZMONIPCA-UTSBZEJYSA-N 1 2 243.372 1.979 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Cc1cccc(F)c1 ZINC000343293069 353375873 /nfs/dbraw/zinc/37/58/73/353375873.db2.gz GRPJWAQVUFXMPA-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000309982577 188347622 /nfs/dbraw/zinc/34/76/22/188347622.db2.gz HYGJWOGYZSYHPW-VHSXEESVSA-N 1 2 239.319 1.223 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000309982577 188347624 /nfs/dbraw/zinc/34/76/24/188347624.db2.gz HYGJWOGYZSYHPW-VHSXEESVSA-N 1 2 239.319 1.223 20 0 BDADLO CC(=O)NCCCNc1cc[nH+]c(C(C)C)n1 ZINC000110127956 188353269 /nfs/dbraw/zinc/35/32/69/188353269.db2.gz CRLGRKXYSYIFQS-UHFFFAOYSA-N 1 2 236.319 1.538 20 0 BDADLO Cc1nc(N2CCCO[C@H](C)C2)cc[nH+]1 ZINC000266455064 188372802 /nfs/dbraw/zinc/37/28/02/188372802.db2.gz XUJNTQXSTWQFSH-SECBINFHSA-N 1 2 207.277 1.400 20 0 BDADLO CC(C)[C@H](C)[S@](=O)Cc1c[nH+]cn1C ZINC000268216887 188374092 /nfs/dbraw/zinc/37/40/92/188374092.db2.gz RQAQYGZQLCMGPG-LKFCYVNXSA-N 1 2 214.334 1.713 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083791 353423564 /nfs/dbraw/zinc/42/35/64/353423564.db2.gz FVSYMGJQHGZVMB-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@](C)(C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083791 353423567 /nfs/dbraw/zinc/42/35/67/353423567.db2.gz FVSYMGJQHGZVMB-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000338256655 188365475 /nfs/dbraw/zinc/36/54/75/188365475.db2.gz YLSAERCXPWPUCD-UHFFFAOYSA-N 1 2 240.269 1.737 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000338256655 188365477 /nfs/dbraw/zinc/36/54/77/188365477.db2.gz YLSAERCXPWPUCD-UHFFFAOYSA-N 1 2 240.269 1.737 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)[C@H](C)C1 ZINC000335884105 188365925 /nfs/dbraw/zinc/36/59/25/188365925.db2.gz ZUMQXYPSYNIFDW-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(C)n2)[C@H](C)C1 ZINC000335884105 188365926 /nfs/dbraw/zinc/36/59/26/188365926.db2.gz ZUMQXYPSYNIFDW-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C)C(C)C ZINC000339574237 188368698 /nfs/dbraw/zinc/36/86/98/188368698.db2.gz OMWFJSSCAKGRLX-OUJBWJOFSA-N 1 2 240.347 1.056 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C)C(C)C ZINC000339574237 188368699 /nfs/dbraw/zinc/36/86/99/188368699.db2.gz OMWFJSSCAKGRLX-OUJBWJOFSA-N 1 2 240.347 1.056 20 0 BDADLO CCCCc1noc(C[N@H+](CC)[C@@H](C)CO)n1 ZINC000339626120 188368927 /nfs/dbraw/zinc/36/89/27/188368927.db2.gz BQJKHZIIYHBTFK-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](CC)[C@@H](C)CO)n1 ZINC000339626120 188368928 /nfs/dbraw/zinc/36/89/28/188368928.db2.gz BQJKHZIIYHBTFK-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccns2)[C@H](C(N)=O)C1 ZINC000639088891 353442357 /nfs/dbraw/zinc/44/23/57/353442357.db2.gz HSETZUJZFZYEAA-SCZZXKLOSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccns2)[C@H](C(N)=O)C1 ZINC000639088891 353442361 /nfs/dbraw/zinc/44/23/61/353442361.db2.gz HSETZUJZFZYEAA-SCZZXKLOSA-N 1 2 239.344 1.229 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ncccc2C)[C@H](C)C1 ZINC000271328805 188376216 /nfs/dbraw/zinc/37/62/16/188376216.db2.gz FGDQSQPZOONVCH-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ncccc2C)[C@H](C)C1 ZINC000271328805 188376218 /nfs/dbraw/zinc/37/62/18/188376218.db2.gz FGDQSQPZOONVCH-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnccn2)nc1 ZINC000271914684 188377744 /nfs/dbraw/zinc/37/77/44/188377744.db2.gz JIYZIGNYZIDEKK-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnccn2)nc1 ZINC000271914684 188377746 /nfs/dbraw/zinc/37/77/46/188377746.db2.gz JIYZIGNYZIDEKK-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO C/C=C(/CC)C(=O)NCCn1cc[nH+]c1 ZINC000276438096 188380101 /nfs/dbraw/zinc/38/01/01/188380101.db2.gz CKKWZXIUILGJDB-KMKOMSMNSA-N 1 2 207.277 1.356 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)Cc1c[nH+]cn1C ZINC000563742420 353453723 /nfs/dbraw/zinc/45/37/23/353453723.db2.gz QOMBYIMQXTWJHJ-ZETCQYMHSA-N 1 2 249.236 1.420 20 0 BDADLO CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000278197088 188380986 /nfs/dbraw/zinc/38/09/86/188380986.db2.gz UEEKZLZQHAKDKT-ONGXEEELSA-N 1 2 237.303 1.087 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC=CCC1 ZINC000277614128 188381223 /nfs/dbraw/zinc/38/12/23/188381223.db2.gz HYVRQOJBVDLFCT-NSHDSACASA-N 1 2 233.315 1.578 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH+]1CCOCC1 ZINC000281151378 188384054 /nfs/dbraw/zinc/38/40/54/188384054.db2.gz AWEAPORXEBIKCI-UHFFFAOYSA-N 1 2 223.320 1.605 20 0 BDADLO CC(C)CONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284524761 188385982 /nfs/dbraw/zinc/38/59/82/188385982.db2.gz WJYRMODIPURSLR-ONEGZZNKSA-N 1 2 209.249 1.127 20 0 BDADLO CCc1ccc([C@@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000285404780 188386970 /nfs/dbraw/zinc/38/69/70/188386970.db2.gz FLNDPYWSJYLYDI-AWEZNQCLSA-N 1 2 245.326 1.795 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccns1 ZINC000639086151 353434938 /nfs/dbraw/zinc/43/49/38/353434938.db2.gz OBSNRAKMIVGWRG-YUMQZZPRSA-N 1 2 216.281 1.048 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccns1 ZINC000639086151 353434940 /nfs/dbraw/zinc/43/49/40/353434940.db2.gz OBSNRAKMIVGWRG-YUMQZZPRSA-N 1 2 216.281 1.048 20 0 BDADLO CC(C)(C)OC(=O)C1C[NH+](Cc2cccnc2)C1 ZINC000297496115 188395161 /nfs/dbraw/zinc/39/51/61/188395161.db2.gz ULVDPJRKNWBSQD-UHFFFAOYSA-N 1 2 248.326 1.855 20 0 BDADLO CCn1cc[nH+]c1CNc1nncs1 ZINC000230323813 353487364 /nfs/dbraw/zinc/48/73/64/353487364.db2.gz QPLNGOOBTQSDIX-UHFFFAOYSA-N 1 2 209.278 1.367 20 0 BDADLO CCc1nc(C[NH2+][C@H](CC)[C@@H]2CCCO2)no1 ZINC000182347032 353470341 /nfs/dbraw/zinc/47/03/41/353470341.db2.gz FDWJGXZVPSUJKQ-ZJUUUORDSA-N 1 2 239.319 1.679 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CC2(C1)CCOC2 ZINC000294114130 188392169 /nfs/dbraw/zinc/39/21/69/188392169.db2.gz SUFLGNWMGHCYLX-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000294155596 188392250 /nfs/dbraw/zinc/39/22/50/188392250.db2.gz AMCKLHGHQPURKX-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000294155596 188392252 /nfs/dbraw/zinc/39/22/52/188392252.db2.gz AMCKLHGHQPURKX-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO C/C=C(\C)C(=O)NCc1c[nH+]ccc1OC ZINC000294674260 188392380 /nfs/dbraw/zinc/39/23/80/188392380.db2.gz SLHOTGAYZNLTQQ-RUDMXATFSA-N 1 2 220.272 1.673 20 0 BDADLO CC(C)(C[NH2+]Cc1ccn[nH]1)c1ccccn1 ZINC000294782890 188392804 /nfs/dbraw/zinc/39/28/04/188392804.db2.gz LHHOQJNEYGQJSZ-UHFFFAOYSA-N 1 2 230.315 1.872 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)Cc1ccccn1 ZINC000295127007 188393293 /nfs/dbraw/zinc/39/32/93/188393293.db2.gz JLGNBCFQUWPBJT-UHFFFAOYSA-N 1 2 235.331 1.286 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295127007 188393295 /nfs/dbraw/zinc/39/32/95/188393295.db2.gz JLGNBCFQUWPBJT-UHFFFAOYSA-N 1 2 235.331 1.286 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3c(n2)CCC3)C1 ZINC000334512169 353526789 /nfs/dbraw/zinc/52/67/89/353526789.db2.gz WBYHOGZRDQBKPH-UHFFFAOYSA-N 1 2 232.327 1.791 20 0 BDADLO CCc1nc(C2([NH2+]C[C@@H](C)O)CCCC2)no1 ZINC000192733322 353563971 /nfs/dbraw/zinc/56/39/71/353563971.db2.gz BUDXJMJOCCENGC-SECBINFHSA-N 1 2 239.319 1.372 20 0 BDADLO CCC[C@H](CCO)CNc1cc(C)[nH+]cn1 ZINC000231151784 353569481 /nfs/dbraw/zinc/56/94/81/353569481.db2.gz VTPWBOKRHINKAK-LLVKDONJSA-N 1 2 223.320 1.996 20 0 BDADLO CO[C@@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000231682728 353644218 /nfs/dbraw/zinc/64/42/18/353644218.db2.gz QZYCIKYHWIRCMV-RKDXNWHRSA-N 1 2 247.302 1.343 20 0 BDADLO CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608205377 353615050 /nfs/dbraw/zinc/61/50/50/353615050.db2.gz CHLBMWMNVBWCIV-CYBMUJFWSA-N 1 2 243.310 1.840 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(=O)[C@@H](C)C1 ZINC000577887010 366096274 /nfs/dbraw/zinc/09/62/74/366096274.db2.gz APEFJKIQASFUFX-VIFPVBQESA-N 1 2 219.288 1.509 20 0 BDADLO C[N@@H+]1CCC[C@@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000194635260 353688030 /nfs/dbraw/zinc/68/80/30/353688030.db2.gz GSRFMJZBIPWGAW-SSDOTTSWSA-N 1 2 228.321 1.087 20 0 BDADLO C[N@H+]1CCC[C@@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000194635260 353688031 /nfs/dbraw/zinc/68/80/31/353688031.db2.gz GSRFMJZBIPWGAW-SSDOTTSWSA-N 1 2 228.321 1.087 20 0 BDADLO Fc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000336325106 181012210 /nfs/dbraw/zinc/01/22/10/181012210.db2.gz HYDVBIRKWFFEQO-TXEJJXNPSA-N 1 2 237.274 1.425 20 0 BDADLO Fc1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000336325106 181012211 /nfs/dbraw/zinc/01/22/11/181012211.db2.gz HYDVBIRKWFFEQO-TXEJJXNPSA-N 1 2 237.274 1.425 20 0 BDADLO C[C@H]1[C@@H](C)N(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000642318843 363258633 /nfs/dbraw/zinc/25/86/33/363258633.db2.gz YPDUBWKKZJHPEZ-OPRDCNLKSA-N 1 2 248.330 1.762 20 0 BDADLO C[C@H]1[C@@H](C)N(c2[nH+]cnc3c2OCCN3)C[C@H]1C ZINC000642318843 363258636 /nfs/dbraw/zinc/25/86/36/363258636.db2.gz YPDUBWKKZJHPEZ-OPRDCNLKSA-N 1 2 248.330 1.762 20 0 BDADLO Fc1cccc2c1[C@H]([NH2+]Cc1cncnc1)CO2 ZINC000373287968 181008136 /nfs/dbraw/zinc/00/81/36/181008136.db2.gz XIJBPAFMERTSIB-LLVKDONJSA-N 1 2 245.257 1.839 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@H]2C)c1C ZINC000639122376 353775062 /nfs/dbraw/zinc/77/50/62/353775062.db2.gz FOBYBCKPCLBROP-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@H]2C)c1C ZINC000639122376 353775065 /nfs/dbraw/zinc/77/50/65/353775065.db2.gz FOBYBCKPCLBROP-SNVBAGLBSA-N 1 2 236.315 1.619 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](CCO)CC(F)F)OC ZINC000639122750 353778017 /nfs/dbraw/zinc/77/80/17/353778017.db2.gz FFLJOQNLWBIXDZ-VHSXEESVSA-N 1 2 239.306 1.607 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](CCO)CC(F)F)OC ZINC000639122750 353778019 /nfs/dbraw/zinc/77/80/19/353778019.db2.gz FFLJOQNLWBIXDZ-VHSXEESVSA-N 1 2 239.306 1.607 20 0 BDADLO OCc1ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]c1 ZINC000639132169 353841186 /nfs/dbraw/zinc/84/11/86/353841186.db2.gz GJYBVSBNZQBLJR-KGYLQXTDSA-N 1 2 232.327 1.844 20 0 BDADLO CC[C@](C)(C[NH2+]Cc1noc(C2CC2)n1)OC ZINC000639126725 353828511 /nfs/dbraw/zinc/82/85/11/353828511.db2.gz HIBFODKIHYAWPD-GFCCVEGCSA-N 1 2 239.319 1.852 20 0 BDADLO Fc1cncc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000334637042 181019691 /nfs/dbraw/zinc/01/96/91/181019691.db2.gz JMYDSVZNWXOQRV-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@@H](C)CO)[nH+]1 ZINC000343430825 353883662 /nfs/dbraw/zinc/88/36/62/353883662.db2.gz VFZXCQQCFGOXBA-ZETCQYMHSA-N 1 2 220.276 1.083 20 0 BDADLO CC1(C)COCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000334520490 353884779 /nfs/dbraw/zinc/88/47/79/353884779.db2.gz YOBOECJRYAPALS-UHFFFAOYSA-N 1 2 243.738 1.647 20 0 BDADLO CC1(C)COCC[N@H+]1CCn1cc(Cl)cn1 ZINC000334520490 353884782 /nfs/dbraw/zinc/88/47/82/353884782.db2.gz YOBOECJRYAPALS-UHFFFAOYSA-N 1 2 243.738 1.647 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000343449999 353893012 /nfs/dbraw/zinc/89/30/12/353893012.db2.gz REXRALOQZXCBBL-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO CC[N@H+](Cc1cc(C)ns1)[C@@H]1CCNC1=O ZINC000639135978 353845851 /nfs/dbraw/zinc/84/58/51/353845851.db2.gz JODXDGKFZXRWTN-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1cc(C)ns1)[C@@H]1CCNC1=O ZINC000639135978 353845853 /nfs/dbraw/zinc/84/58/53/353845853.db2.gz JODXDGKFZXRWTN-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(C)Cn1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000074151887 353926143 /nfs/dbraw/zinc/92/61/43/353926143.db2.gz UZBBUPGYVURERU-UHFFFAOYSA-N 1 2 247.302 1.374 20 0 BDADLO C[N@H+](CC[C@@H]1CCCO1)Cc1csnn1 ZINC000343477322 353902305 /nfs/dbraw/zinc/90/23/05/353902305.db2.gz VSNHEFCTMNIMFR-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO C[N@@H+](CC[C@@H]1CCCO1)Cc1csnn1 ZINC000343477322 353902306 /nfs/dbraw/zinc/90/23/06/353902306.db2.gz VSNHEFCTMNIMFR-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000343740817 353969336 /nfs/dbraw/zinc/96/93/36/353969336.db2.gz YJOANKDZLCHFSF-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000334545525 353983288 /nfs/dbraw/zinc/98/32/88/353983288.db2.gz SHLRQODJQQUDDO-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000334545525 353983291 /nfs/dbraw/zinc/98/32/91/353983291.db2.gz SHLRQODJQQUDDO-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000032319649 353988473 /nfs/dbraw/zinc/98/84/73/353988473.db2.gz REAAMFJZZRQYJW-GFCCVEGCSA-N 1 2 247.273 1.785 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000351871915 133988417 /nfs/dbraw/zinc/98/84/17/133988417.db2.gz BFSVJQRWXDKRAW-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000351871915 133988418 /nfs/dbraw/zinc/98/84/18/133988418.db2.gz BFSVJQRWXDKRAW-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1nnc(C)o1 ZINC000343652629 353954260 /nfs/dbraw/zinc/95/42/60/353954260.db2.gz SZUSQYZMRPMHDK-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1nnc(C)o1 ZINC000343652629 353954263 /nfs/dbraw/zinc/95/42/63/353954263.db2.gz SZUSQYZMRPMHDK-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000343842884 354019868 /nfs/dbraw/zinc/01/98/68/354019868.db2.gz SJGPJSTUTQOCCS-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO C[C@@H]([NH2+]Cc1nncn1C)c1cccc(O)c1 ZINC000038007573 358481909 /nfs/dbraw/zinc/48/19/09/358481909.db2.gz CESPKQFTTLFURH-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO Cc1cc(N(C)CCC(N)=O)nc(C(C)C)[nH+]1 ZINC000343945715 354067643 /nfs/dbraw/zinc/06/76/43/354067643.db2.gz FSHWTJAUJLSGGO-UHFFFAOYSA-N 1 2 236.319 1.220 20 0 BDADLO Cc1cccc(C(N)=O)c1NCc1[nH+]ccn1C ZINC000343889278 354051272 /nfs/dbraw/zinc/05/12/72/354051272.db2.gz WPAGMDZCVBXHMP-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)CC(C)(C)C1 ZINC000344085639 354137183 /nfs/dbraw/zinc/13/71/83/354137183.db2.gz SRAWPKHYZALLAP-QMMMGPOBSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)CC(C)(C)C1 ZINC000344085639 354137187 /nfs/dbraw/zinc/13/71/87/354137187.db2.gz SRAWPKHYZALLAP-QMMMGPOBSA-N 1 2 224.308 1.378 20 0 BDADLO CCC(=O)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000344033497 354097502 /nfs/dbraw/zinc/09/75/02/354097502.db2.gz OGBXAPBOFYQMCX-ZDUSSCGKSA-N 1 2 248.326 1.385 20 0 BDADLO CCC(=O)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000344033495 354097736 /nfs/dbraw/zinc/09/77/36/354097736.db2.gz OGBXAPBOFYQMCX-CYBMUJFWSA-N 1 2 248.326 1.385 20 0 BDADLO C[C@@H]1C[N@H+](CC2CCCC2)CCS(=O)(=O)C1 ZINC000334560767 354113054 /nfs/dbraw/zinc/11/30/54/354113054.db2.gz UPKZEJJZEATAPY-LLVKDONJSA-N 1 2 245.388 1.543 20 0 BDADLO C[C@@H]1C[N@@H+](CC2CCCC2)CCS(=O)(=O)C1 ZINC000334560767 354113057 /nfs/dbraw/zinc/11/30/57/354113057.db2.gz UPKZEJJZEATAPY-LLVKDONJSA-N 1 2 245.388 1.543 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCS[C@H](C)C2)[nH]1 ZINC000334562115 354117253 /nfs/dbraw/zinc/11/72/53/354117253.db2.gz IYYMLPYTVBBVHN-SFYZADRCSA-N 1 2 226.349 1.611 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCS[C@H](C)C2)[nH]1 ZINC000334562115 354117256 /nfs/dbraw/zinc/11/72/56/354117256.db2.gz IYYMLPYTVBBVHN-SFYZADRCSA-N 1 2 226.349 1.611 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)CO1 ZINC000344053146 354124961 /nfs/dbraw/zinc/12/49/61/354124961.db2.gz SOGCQAADZXFGAT-ZJUUUORDSA-N 1 2 249.314 1.511 20 0 BDADLO CC[C@H](C)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056796 354126794 /nfs/dbraw/zinc/12/67/94/354126794.db2.gz KFCAWBVYXRNAHB-UWVGGRQHSA-N 1 2 238.335 1.736 20 0 BDADLO CC[C@H](C)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056796 354126798 /nfs/dbraw/zinc/12/67/98/354126798.db2.gz KFCAWBVYXRNAHB-UWVGGRQHSA-N 1 2 238.335 1.736 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129076 354147809 /nfs/dbraw/zinc/14/78/09/354147809.db2.gz XMBGUDZKYDMAGE-RKDXNWHRSA-N 1 2 242.298 1.438 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129076 354147813 /nfs/dbraw/zinc/14/78/13/354147813.db2.gz XMBGUDZKYDMAGE-RKDXNWHRSA-N 1 2 242.298 1.438 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000449667596 202000124 /nfs/dbraw/zinc/00/01/24/202000124.db2.gz RGFDTASXWNKVQI-VPOLOUISSA-N 1 2 213.321 1.961 20 0 BDADLO COC(C)(C)CC[N@H+](CCO)CC(F)F ZINC000231345030 363341958 /nfs/dbraw/zinc/34/19/58/363341958.db2.gz PKIIUIMBSAIOHV-UHFFFAOYSA-N 1 2 225.279 1.361 20 0 BDADLO COC(C)(C)CC[N@@H+](CCO)CC(F)F ZINC000231345030 363341961 /nfs/dbraw/zinc/34/19/61/363341961.db2.gz PKIIUIMBSAIOHV-UHFFFAOYSA-N 1 2 225.279 1.361 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(F)ccc1O ZINC000344225762 354183673 /nfs/dbraw/zinc/18/36/73/354183673.db2.gz WTKFOJYYVBAYDU-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO C[C@@H]1COCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000334591395 354222761 /nfs/dbraw/zinc/22/27/61/354222761.db2.gz KZGQBUWOTYYQIB-SECBINFHSA-N 1 2 249.289 1.938 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC2(C)C)n(C)n1 ZINC000334598770 354234478 /nfs/dbraw/zinc/23/44/78/354234478.db2.gz ZEOPFTGRGHERNR-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC2(C)C)n(C)n1 ZINC000334598770 354234479 /nfs/dbraw/zinc/23/44/79/354234479.db2.gz ZEOPFTGRGHERNR-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCc1ccccc1 ZINC000344533619 354283300 /nfs/dbraw/zinc/28/33/00/354283300.db2.gz QEAWCEHAYSZKNN-RYUDHWBXSA-N 1 2 236.290 1.127 20 0 BDADLO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCc1ccccc1 ZINC000344533619 354283304 /nfs/dbraw/zinc/28/33/04/354283304.db2.gz QEAWCEHAYSZKNN-RYUDHWBXSA-N 1 2 236.290 1.127 20 0 BDADLO CCn1cc[nH+]c1CN1CCC=C(F)C1 ZINC000334610739 354293713 /nfs/dbraw/zinc/29/37/13/354293713.db2.gz CGMHYFRKRCVKIN-UHFFFAOYSA-N 1 2 209.268 1.962 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOCC12CC2 ZINC000334613141 354297569 /nfs/dbraw/zinc/29/75/69/354297569.db2.gz CZVYGLWUOWNNJU-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOCC12CC2 ZINC000334613141 354297572 /nfs/dbraw/zinc/29/75/72/354297572.db2.gz CZVYGLWUOWNNJU-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCOCC12CC2 ZINC000334613096 354297610 /nfs/dbraw/zinc/29/76/10/354297610.db2.gz BOSGJMLWYPTZOB-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cccnc1C[N@H+]1CCOCC12CC2 ZINC000334613096 354297612 /nfs/dbraw/zinc/29/76/12/354297612.db2.gz BOSGJMLWYPTZOB-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(F)ccc1F ZINC000334613484 354298013 /nfs/dbraw/zinc/29/80/13/354298013.db2.gz OCLZPHHMGHHYKR-QWRGUYRKSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(F)ccc1F ZINC000334613484 354298018 /nfs/dbraw/zinc/29/80/18/354298018.db2.gz OCLZPHHMGHHYKR-QWRGUYRKSA-N 1 2 245.244 1.870 20 0 BDADLO OCC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000344442506 354274469 /nfs/dbraw/zinc/27/44/69/354274469.db2.gz QWNSGGIZECGQNA-LBPRGKRZSA-N 1 2 249.339 1.751 20 0 BDADLO Cc1occc1C[N@@H+]1CCOCC12CC2 ZINC000334600137 354276540 /nfs/dbraw/zinc/27/65/40/354276540.db2.gz XJKUHTROJZFZAH-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1occc1C[N@H+]1CCOCC12CC2 ZINC000334600137 354276541 /nfs/dbraw/zinc/27/65/41/354276541.db2.gz XJKUHTROJZFZAH-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000577962211 366146268 /nfs/dbraw/zinc/14/62/68/366146268.db2.gz OAHGACRMDKJUCJ-SECBINFHSA-N 1 2 239.344 1.730 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1nncn1C)OC ZINC000639181858 354318438 /nfs/dbraw/zinc/31/84/38/354318438.db2.gz CNWDYLDKTBHPNF-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1nncn1C)OC ZINC000639181858 354318440 /nfs/dbraw/zinc/31/84/40/354318440.db2.gz CNWDYLDKTBHPNF-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000086452717 491061752 /nfs/dbraw/zinc/06/17/52/491061752.db2.gz FRJVWNVMQQXQEI-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO CC[C@](C)(C[N@H+](C)Cc1nncn1C)OC ZINC000639181848 354331463 /nfs/dbraw/zinc/33/14/63/354331463.db2.gz CGTMLWNLDZYCDU-LLVKDONJSA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@](C)(C[N@@H+](C)Cc1nncn1C)OC ZINC000639181848 354331466 /nfs/dbraw/zinc/33/14/66/354331466.db2.gz CGTMLWNLDZYCDU-LLVKDONJSA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccon1 ZINC000086453777 491061661 /nfs/dbraw/zinc/06/16/61/491061661.db2.gz LPPXGDQSSNVOJQ-DTWKUNHWSA-N 1 2 225.292 1.067 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccon1 ZINC000086453779 491061677 /nfs/dbraw/zinc/06/16/77/491061677.db2.gz LPPXGDQSSNVOJQ-IUCAKERBSA-N 1 2 225.292 1.067 20 0 BDADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ncnn1C ZINC000639185990 354381177 /nfs/dbraw/zinc/38/11/77/354381177.db2.gz HHTHSDWKPAPECN-NOZJJQNGSA-N 1 2 244.298 1.427 20 0 BDADLO CCc1cc(N2C[C@@H](C)[C@H](C(=O)OC)C2)nc[nH+]1 ZINC000095016348 366173038 /nfs/dbraw/zinc/17/30/38/366173038.db2.gz XOAJDUQCMNHJQC-MWLCHTKSSA-N 1 2 249.314 1.284 20 0 BDADLO Cn1cc(C[NH+]2CC3(C2)CCCC3)nn1 ZINC000334646943 354436909 /nfs/dbraw/zinc/43/69/09/354436909.db2.gz RZLBOYODWVHFFN-UHFFFAOYSA-N 1 2 206.293 1.191 20 0 BDADLO COC1(C)CN(Cc2c[nH+]c3cccc(C)n23)C1 ZINC000334643462 354400642 /nfs/dbraw/zinc/40/06/42/354400642.db2.gz CBHYTZMPDHIIHQ-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000334643502 354400794 /nfs/dbraw/zinc/40/07/94/354400794.db2.gz DCERQYYWJRUJCN-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334674113 354417057 /nfs/dbraw/zinc/41/70/57/354417057.db2.gz IWLXLRXZBDQDKA-CQSZACIVSA-N 1 2 248.374 1.301 20 0 BDADLO c1snnc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000334679269 354424060 /nfs/dbraw/zinc/42/40/60/354424060.db2.gz NCAFJDNCQUBDSN-SNVBAGLBSA-N 1 2 241.385 1.866 20 0 BDADLO c1snnc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000334679269 354424062 /nfs/dbraw/zinc/42/40/62/354424062.db2.gz NCAFJDNCQUBDSN-SNVBAGLBSA-N 1 2 241.385 1.866 20 0 BDADLO CC[C@@]1(C)COCCN1Cc1[nH+]ccn1C ZINC000334658863 354454881 /nfs/dbraw/zinc/45/48/81/354454881.db2.gz KNVGNKZGQGHYFB-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1nccn1C ZINC000334658863 354454886 /nfs/dbraw/zinc/45/48/86/354454886.db2.gz KNVGNKZGQGHYFB-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1nccn1C ZINC000334658863 354454888 /nfs/dbraw/zinc/45/48/88/354454888.db2.gz KNVGNKZGQGHYFB-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO NC(=O)[C@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC000334660811 354459945 /nfs/dbraw/zinc/45/99/45/354459945.db2.gz AJZBKFWXISYSRX-LLVKDONJSA-N 1 2 224.304 1.723 20 0 BDADLO NC(=O)[C@H]1COCC[N@H+]1CC1=CCCCC1 ZINC000334660811 354459946 /nfs/dbraw/zinc/45/99/46/354459946.db2.gz AJZBKFWXISYSRX-LLVKDONJSA-N 1 2 224.304 1.723 20 0 BDADLO C[C@H]1C[C@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000334693552 354484050 /nfs/dbraw/zinc/48/40/50/354484050.db2.gz GFGFVUMVWDIYET-JGVFFNPUSA-N 1 2 204.233 1.438 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2ccco2)no1 ZINC000349650851 366208394 /nfs/dbraw/zinc/20/83/94/366208394.db2.gz FTSSYLHWTVBIJH-UHFFFAOYSA-N 1 2 230.227 1.654 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000334738485 354541476 /nfs/dbraw/zinc/54/14/76/354541476.db2.gz MPBOHPUCIWIOQD-SKDRFNHKSA-N 1 2 223.320 1.575 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H](F)C1 ZINC000334701599 354494460 /nfs/dbraw/zinc/49/44/60/354494460.db2.gz JKPDUHOMBOGGRA-VIFPVBQESA-N 1 2 248.261 1.910 20 0 BDADLO C[C@H]1[C@@H](CO)CCCN1c1cccc[nH+]1 ZINC000334712421 354509586 /nfs/dbraw/zinc/50/95/86/354509586.db2.gz OLUTUZKPJLDNLY-WDEREUQCSA-N 1 2 206.289 1.679 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c[nH+]1 ZINC000334716012 354514918 /nfs/dbraw/zinc/51/49/18/354514918.db2.gz MYDHGGRYRRSNNV-ZYHUDNBSSA-N 1 2 221.304 1.883 20 0 BDADLO COc1ccncc1C[NH+]1CCSCC1 ZINC000334814990 354572976 /nfs/dbraw/zinc/57/29/76/354572976.db2.gz LQIBVSDVRDIECD-UHFFFAOYSA-N 1 2 224.329 1.639 20 0 BDADLO c1coc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000334756223 354578441 /nfs/dbraw/zinc/57/84/41/354578441.db2.gz RDOLZXRVHYQKKP-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000334756223 354578443 /nfs/dbraw/zinc/57/84/43/354578443.db2.gz RDOLZXRVHYQKKP-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H](O)C(C)C ZINC000412740330 191308936 /nfs/dbraw/zinc/30/89/36/191308936.db2.gz DUWFYTNSHYVLBT-GXSJLCMTSA-N 1 2 239.319 1.243 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2ncnn2C)o1 ZINC000639204357 354651983 /nfs/dbraw/zinc/65/19/83/354651983.db2.gz SAONFLPMSSESLX-UHFFFAOYSA-N 1 2 249.318 1.354 20 0 BDADLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCO[C@@H]2C[C@@H]21 ZINC000639200891 354605362 /nfs/dbraw/zinc/60/53/62/354605362.db2.gz DPYXXRWMIBRKOZ-TUAOUCFPSA-N 1 2 233.315 1.344 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnc(OC)s1 ZINC000639207957 354699544 /nfs/dbraw/zinc/69/95/44/354699544.db2.gz VNYZZEUPIZCJDW-QMMMGPOBSA-N 1 2 228.317 1.372 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnc(OC)s1 ZINC000639207957 354699547 /nfs/dbraw/zinc/69/95/47/354699547.db2.gz VNYZZEUPIZCJDW-QMMMGPOBSA-N 1 2 228.317 1.372 20 0 BDADLO FC(F)[C@H]1CCCC[N@@H+]1C[C@@H]1COCCO1 ZINC000335129689 354776606 /nfs/dbraw/zinc/77/66/06/354776606.db2.gz JLAHQIPAOVUFGX-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@H]1CCCC[N@H+]1C[C@@H]1COCCO1 ZINC000335129689 354776608 /nfs/dbraw/zinc/77/66/08/354776608.db2.gz JLAHQIPAOVUFGX-NXEZZACHSA-N 1 2 235.274 1.521 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCOCC(F)(F)C1 ZINC000335136574 354785978 /nfs/dbraw/zinc/78/59/78/354785978.db2.gz NGURSKLVIRNCTG-VIFPVBQESA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCOCC(F)(F)C1 ZINC000335136574 354785979 /nfs/dbraw/zinc/78/59/79/354785979.db2.gz NGURSKLVIRNCTG-VIFPVBQESA-N 1 2 237.290 1.361 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CC1(C)CC1 ZINC000345867856 354792596 /nfs/dbraw/zinc/79/25/96/354792596.db2.gz VRTYQNZOLHXCSX-UHFFFAOYSA-N 1 2 221.304 1.569 20 0 BDADLO O=C(NCc1ccco1)N1CCn2cc[nH+]c2C1 ZINC000335149155 354863194 /nfs/dbraw/zinc/86/31/94/354863194.db2.gz IJXBKDHYLWBIRF-UHFFFAOYSA-N 1 2 246.270 1.202 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cncnc1 ZINC000346334232 354899263 /nfs/dbraw/zinc/89/92/63/354899263.db2.gz NXDREHVPOYIUCB-UHFFFAOYSA-N 1 2 244.254 1.061 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000335160517 354912033 /nfs/dbraw/zinc/91/20/33/354912033.db2.gz UIJXGLOGHOTACR-LLVKDONJSA-N 1 2 236.702 1.544 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000335160517 354912035 /nfs/dbraw/zinc/91/20/35/354912035.db2.gz UIJXGLOGHOTACR-LLVKDONJSA-N 1 2 236.702 1.544 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccoc1C ZINC000335160985 354912489 /nfs/dbraw/zinc/91/24/89/354912489.db2.gz QNODFYNBXNIENQ-NSHDSACASA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccoc1C ZINC000335160985 354912493 /nfs/dbraw/zinc/91/24/93/354912493.db2.gz QNODFYNBXNIENQ-NSHDSACASA-N 1 2 222.288 1.298 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)n(C)n1 ZINC000335177486 354947738 /nfs/dbraw/zinc/94/77/38/354947738.db2.gz HPTWJFUVRGGXLN-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)n(C)n1 ZINC000335177486 354947740 /nfs/dbraw/zinc/94/77/40/354947740.db2.gz HPTWJFUVRGGXLN-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000335164640 354951983 /nfs/dbraw/zinc/95/19/83/354951983.db2.gz DGWDCAKJKRLEPM-CYBMUJFWSA-N 1 2 218.300 1.692 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000335164640 354951988 /nfs/dbraw/zinc/95/19/88/354951988.db2.gz DGWDCAKJKRLEPM-CYBMUJFWSA-N 1 2 218.300 1.692 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000335164641 354952202 /nfs/dbraw/zinc/95/22/02/354952202.db2.gz DGWDCAKJKRLEPM-ZDUSSCGKSA-N 1 2 218.300 1.692 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000335164641 354952204 /nfs/dbraw/zinc/95/22/04/354952204.db2.gz DGWDCAKJKRLEPM-ZDUSSCGKSA-N 1 2 218.300 1.692 20 0 BDADLO CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000096785844 535271842 /nfs/dbraw/zinc/27/18/42/535271842.db2.gz XUWVMHAFPWNRPA-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C(F)F)n1)c1cn[nH]c1 ZINC000346673081 355008260 /nfs/dbraw/zinc/00/82/60/355008260.db2.gz RZSQNFHYDIZDMY-SSDOTTSWSA-N 1 2 241.245 1.852 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)C[C@@H]2F)cc[nH+]1 ZINC000335228941 355070653 /nfs/dbraw/zinc/07/06/53/355070653.db2.gz DLWUDZSZYBLBJD-GXSJLCMTSA-N 1 2 208.236 1.499 20 0 BDADLO CC(C)CN(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000346769348 355112885 /nfs/dbraw/zinc/11/28/85/355112885.db2.gz AOTWALNVKYBXJK-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO COc1ccncc1C[N@@H+]1CCOC(C)(C)C1 ZINC000346865933 355132685 /nfs/dbraw/zinc/13/26/85/355132685.db2.gz KEUZPZFTHJPCRJ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccncc1C[N@H+]1CCOC(C)(C)C1 ZINC000346865933 355132686 /nfs/dbraw/zinc/13/26/86/355132686.db2.gz KEUZPZFTHJPCRJ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CC[NH+](CC)Cc1nc(COCCOC)no1 ZINC000346841215 355133390 /nfs/dbraw/zinc/13/33/90/355133390.db2.gz VVWBWHZCKUFQFU-UHFFFAOYSA-N 1 2 243.307 1.074 20 0 BDADLO C[C@@H]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC000346978232 355211605 /nfs/dbraw/zinc/21/16/05/355211605.db2.gz KVFLLDNZJSWXDJ-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO CC1(C(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000335254307 355213076 /nfs/dbraw/zinc/21/30/76/355213076.db2.gz WUSTUISGBLOLNM-UHFFFAOYSA-N 1 2 248.326 1.724 20 0 BDADLO Cc1scc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1C ZINC000639230895 355177375 /nfs/dbraw/zinc/17/73/75/355177375.db2.gz GXFRGVSYQOHFEL-MRVPVSSYSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1scc(C[N@H+]2CC(=O)N[C@H](C)C2)c1C ZINC000639230895 355177380 /nfs/dbraw/zinc/17/73/80/355177380.db2.gz GXFRGVSYQOHFEL-MRVPVSSYSA-N 1 2 238.356 1.685 20 0 BDADLO COc1cccnc1C[NH2+]Cc1ccns1 ZINC000639240556 355224925 /nfs/dbraw/zinc/22/49/25/355224925.db2.gz UGPIGULFGROZAB-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO c1nc(NC2CC2)cc(NCCOCC2CC2)[nH+]1 ZINC000413144826 191359031 /nfs/dbraw/zinc/35/90/31/191359031.db2.gz ZAPNJYZQUPSCBD-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCCOCC2CC2)cc(NC2CC2)[nH+]1 ZINC000413144826 191359034 /nfs/dbraw/zinc/35/90/34/191359034.db2.gz ZAPNJYZQUPSCBD-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1ccncc1 ZINC000413004181 191336715 /nfs/dbraw/zinc/33/67/15/191336715.db2.gz YTEQBCLAFPAPPQ-NSHDSACASA-N 1 2 238.356 1.894 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1ccncc1 ZINC000413004181 191336717 /nfs/dbraw/zinc/33/67/17/191336717.db2.gz YTEQBCLAFPAPPQ-NSHDSACASA-N 1 2 238.356 1.894 20 0 BDADLO Cc1[nH]c2ccc(CSCC(N)=O)cc2[nH+]1 ZINC000413019011 191341620 /nfs/dbraw/zinc/34/16/20/191341620.db2.gz OKAKMYGRXXDBTD-UHFFFAOYSA-N 1 2 235.312 1.590 20 0 BDADLO Cc1[nH]c2cc(CSCC(N)=O)ccc2[nH+]1 ZINC000413019011 191341623 /nfs/dbraw/zinc/34/16/23/191341623.db2.gz OKAKMYGRXXDBTD-UHFFFAOYSA-N 1 2 235.312 1.590 20 0 BDADLO COCC[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413111717 191353948 /nfs/dbraw/zinc/35/39/48/191353948.db2.gz QGULFHAIHSIWAV-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO COCC[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413111717 191353951 /nfs/dbraw/zinc/35/39/51/191353951.db2.gz QGULFHAIHSIWAV-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000413445671 191384967 /nfs/dbraw/zinc/38/49/67/191384967.db2.gz GYSVDAJYALVWAF-MNOVXSKESA-N 1 2 233.315 1.755 20 0 BDADLO COCC[C@@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000413486975 191388232 /nfs/dbraw/zinc/38/82/32/191388232.db2.gz BNHDMTDNQWDQSX-SSDOTTSWSA-N 1 2 244.726 1.219 20 0 BDADLO COCC[C@@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000413486975 191388234 /nfs/dbraw/zinc/38/82/34/191388234.db2.gz BNHDMTDNQWDQSX-SSDOTTSWSA-N 1 2 244.726 1.219 20 0 BDADLO Cc1cc(N2C[C@H](C)C[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000413569508 191394491 /nfs/dbraw/zinc/39/44/91/191394491.db2.gz AUOPFJMKJASTKC-SKDRFNHKSA-N 1 2 247.342 1.870 20 0 BDADLO C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241825 191363537 /nfs/dbraw/zinc/36/35/37/191363537.db2.gz UBUGJSAWYXKMOP-NXEZZACHSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241825 191363540 /nfs/dbraw/zinc/36/35/40/191363540.db2.gz UBUGJSAWYXKMOP-NXEZZACHSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CC[C@@H](C)O2)[nH+]1 ZINC000413370429 191377026 /nfs/dbraw/zinc/37/70/26/191377026.db2.gz CRCNSXCYESSHOT-SCZZXKLOSA-N 1 2 246.314 1.668 20 0 BDADLO CC(C)c1nc(NC[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000413375156 191377113 /nfs/dbraw/zinc/37/71/13/191377113.db2.gz KLIJGANQMCQHOH-MNOVXSKESA-N 1 2 235.331 1.595 20 0 BDADLO CC1(O)C[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000639253918 355293107 /nfs/dbraw/zinc/29/31/07/355293107.db2.gz UUFURRVWSAPHGZ-NSCUHMNNSA-N 1 2 221.275 1.906 20 0 BDADLO CCn1ncnc1C[NH+]1CC(C)(CCOC)C1 ZINC000639255435 355299017 /nfs/dbraw/zinc/29/90/17/355299017.db2.gz RWFALFRHQRJGKJ-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO O=c1ccc(C[NH+]2CC(OC(F)F)C2)c[nH]1 ZINC000639268868 355330353 /nfs/dbraw/zinc/33/03/53/355330353.db2.gz SXVMYVOWJZSPBF-UHFFFAOYSA-N 1 2 230.214 1.211 20 0 BDADLO CCOC1CN([C@@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639249460 355278515 /nfs/dbraw/zinc/27/85/15/355278515.db2.gz CPSFWWJFEDQXEU-GFCCVEGCSA-N 1 2 235.331 1.592 20 0 BDADLO Cc1nc(N(C)Cc2noc(C3CC3)n2)cc[nH+]1 ZINC000413600585 191399483 /nfs/dbraw/zinc/39/94/83/191399483.db2.gz ATRPICXKMHUPSE-UHFFFAOYSA-N 1 2 245.286 1.682 20 0 BDADLO CCn1ncnc1C[NH+]1CC(CC)(CC)C1 ZINC000639249748 355279520 /nfs/dbraw/zinc/27/95/20/355279520.db2.gz GDMUSZUHBSUKNI-UHFFFAOYSA-N 1 2 222.336 1.920 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349237970 355373355 /nfs/dbraw/zinc/37/33/55/355373355.db2.gz JEVAOCJZUJKABF-VHSXEESVSA-N 1 2 239.319 1.486 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)sn1 ZINC000639275714 355352051 /nfs/dbraw/zinc/35/20/51/355352051.db2.gz WGPJLXLNPZBZEC-MWLCHTKSSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)sn1 ZINC000639275714 355352054 /nfs/dbraw/zinc/35/20/54/355352054.db2.gz WGPJLXLNPZBZEC-MWLCHTKSSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)sn1 ZINC000639275715 355352695 /nfs/dbraw/zinc/35/26/95/355352695.db2.gz WGPJLXLNPZBZEC-ONGXEEELSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)sn1 ZINC000639275715 355352699 /nfs/dbraw/zinc/35/26/99/355352699.db2.gz WGPJLXLNPZBZEC-ONGXEEELSA-N 1 2 242.344 1.033 20 0 BDADLO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349205420 355354552 /nfs/dbraw/zinc/35/45/52/355354552.db2.gz WCBOXPRVTWQOCZ-VIFPVBQESA-N 1 2 239.319 1.630 20 0 BDADLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)C(F)F ZINC000349689496 355411930 /nfs/dbraw/zinc/41/19/30/355411930.db2.gz DBABNWQQWWXIFG-UHFFFAOYSA-N 1 2 217.219 1.317 20 0 BDADLO CCN1CCC[N@H+](Cc2ccc(C)nc2)CC1=O ZINC000335786590 355436178 /nfs/dbraw/zinc/43/61/78/355436178.db2.gz DYUFFNAXHQFPOO-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccc(C)nc2)CC1=O ZINC000335786590 355436180 /nfs/dbraw/zinc/43/61/80/355436180.db2.gz DYUFFNAXHQFPOO-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335786156 355436260 /nfs/dbraw/zinc/43/62/60/355436260.db2.gz FHBUNDIQIZEBLF-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335786156 355436262 /nfs/dbraw/zinc/43/62/62/355436262.db2.gz FHBUNDIQIZEBLF-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO C[NH2+]Cc1noc(COc2ccccc2F)n1 ZINC000349854956 355497372 /nfs/dbraw/zinc/49/73/72/355497372.db2.gz PTSCGTGEAUMCDP-UHFFFAOYSA-N 1 2 237.234 1.507 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCSC1 ZINC000335812366 355499378 /nfs/dbraw/zinc/49/93/78/355499378.db2.gz RDBBAJSQBXMNLM-SECBINFHSA-N 1 2 222.313 1.504 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CSC[C@@H]2C)c[nH+]1 ZINC000335813878 355502182 /nfs/dbraw/zinc/50/21/82/355502182.db2.gz YGGVQYOQFUZONT-IMTBSYHQSA-N 1 2 225.317 1.199 20 0 BDADLO CO[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000335814809 355503622 /nfs/dbraw/zinc/50/36/22/355503622.db2.gz NKHQVVVXPBRXRX-SNVBAGLBSA-N 1 2 235.287 1.065 20 0 BDADLO Cc1ncc(COCc2[nH]cc[nH+]2)cn1 ZINC000349820245 355469209 /nfs/dbraw/zinc/46/92/09/355469209.db2.gz UNTMZCGDPPEGDZ-UHFFFAOYSA-N 1 2 204.233 1.225 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H](C2CC2)O1 ZINC000335807459 355480098 /nfs/dbraw/zinc/48/00/98/355480098.db2.gz LNYRNYDDULBELM-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H](C2CC2)O1 ZINC000335807459 355480101 /nfs/dbraw/zinc/48/01/01/355480101.db2.gz LNYRNYDDULBELM-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C2CC2)O1 ZINC000335807459 355480106 /nfs/dbraw/zinc/48/01/06/355480106.db2.gz LNYRNYDDULBELM-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO O=S1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000335825666 355549363 /nfs/dbraw/zinc/54/93/63/355549363.db2.gz DVZHUAKLEJBMNX-UHFFFAOYSA-N 1 2 235.312 1.132 20 0 BDADLO Cc1nnsc1C[NH+]1CC2(CC2(F)F)C1 ZINC000639294155 355554297 /nfs/dbraw/zinc/55/42/97/355554297.db2.gz CUPISPIAEHWHOR-UHFFFAOYSA-N 1 2 231.271 1.688 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCC3)on1 ZINC000335832228 355559491 /nfs/dbraw/zinc/55/94/91/355559491.db2.gz NQZMHLXHXLFFIK-UHFFFAOYSA-N 1 2 208.261 1.430 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCC3)on1 ZINC000335832228 355559492 /nfs/dbraw/zinc/55/94/92/355559492.db2.gz NQZMHLXHXLFFIK-UHFFFAOYSA-N 1 2 208.261 1.430 20 0 BDADLO CCc1cccc(Cc2nc(C[NH2+]C)no2)c1 ZINC000349896015 355520940 /nfs/dbraw/zinc/52/09/40/355520940.db2.gz QHYCYVQKLRUJHY-UHFFFAOYSA-N 1 2 231.299 1.942 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@]23CCOC3)cc[nH+]1 ZINC000335844055 355588283 /nfs/dbraw/zinc/58/82/83/355588283.db2.gz KCRVCVDDZUGQJQ-YPMHNXCESA-N 1 2 232.283 1.177 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC(F)C1 ZINC000335847933 355591387 /nfs/dbraw/zinc/59/13/87/355591387.db2.gz NQNIKYDGVOJVFW-UHFFFAOYSA-N 1 2 233.246 1.057 20 0 BDADLO O=C1C[N@H+](C[C@H]2CC=CCC2)CN1C1CC1 ZINC000335837998 355566376 /nfs/dbraw/zinc/56/63/76/355566376.db2.gz KSVURWBPBVBICA-NSHDSACASA-N 1 2 220.316 1.607 20 0 BDADLO O=C1C[N@@H+](C[C@H]2CC=CCC2)CN1C1CC1 ZINC000335837998 355566379 /nfs/dbraw/zinc/56/63/79/355566379.db2.gz KSVURWBPBVBICA-NSHDSACASA-N 1 2 220.316 1.607 20 0 BDADLO NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000336324850 181202606 /nfs/dbraw/zinc/20/26/06/181202606.db2.gz FQLQLJSIZDLAPC-UHFFFAOYSA-N 1 2 237.278 1.877 20 0 BDADLO CO[C@](C)(C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000639309094 355664556 /nfs/dbraw/zinc/66/45/56/355664556.db2.gz KNQOZHOJVGGGIK-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@](C)(C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000639309094 355664557 /nfs/dbraw/zinc/66/45/57/355664557.db2.gz KNQOZHOJVGGGIK-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1CC1 ZINC000335865910 355630249 /nfs/dbraw/zinc/63/02/49/355630249.db2.gz ZGLVODQNWMUOLR-UHFFFAOYSA-N 1 2 233.315 1.588 20 0 BDADLO Cc1ccc(Cn2ccsc2=O)c(C)[nH+]1 ZINC000335895059 355689178 /nfs/dbraw/zinc/68/91/78/355689178.db2.gz CDWJQLJMWYPZDE-UHFFFAOYSA-N 1 2 220.297 1.970 20 0 BDADLO NC(=O)c1cc(C[NH2+]Cc2cccc(F)c2)on1 ZINC000350393341 355695222 /nfs/dbraw/zinc/69/52/22/355695222.db2.gz QAYJUYPIQYBXGZ-UHFFFAOYSA-N 1 2 249.245 1.202 20 0 BDADLO COCC(C)(C)C[N@@H+]1Cc2cnn(C)c2C1 ZINC000639321441 355722161 /nfs/dbraw/zinc/72/21/61/355722161.db2.gz UPHCAEIHQOJUSM-UHFFFAOYSA-N 1 2 223.320 1.408 20 0 BDADLO COCC(C)(C)C[N@H+]1Cc2cnn(C)c2C1 ZINC000639321441 355722163 /nfs/dbraw/zinc/72/21/63/355722163.db2.gz UPHCAEIHQOJUSM-UHFFFAOYSA-N 1 2 223.320 1.408 20 0 BDADLO CO[C@@H](C[N@@H+]1Cc2cnn(C)c2C1)C1CCCC1 ZINC000639323172 355715473 /nfs/dbraw/zinc/71/54/73/355715473.db2.gz XQXQMKHIGLQLOY-AWEZNQCLSA-N 1 2 249.358 1.941 20 0 BDADLO CO[C@@H](C[N@H+]1Cc2cnn(C)c2C1)C1CCCC1 ZINC000639323172 355715476 /nfs/dbraw/zinc/71/54/76/355715476.db2.gz XQXQMKHIGLQLOY-AWEZNQCLSA-N 1 2 249.358 1.941 20 0 BDADLO COc1cc(C[NH2+]Cc2cn(C)nc2C)on1 ZINC000639323644 355717309 /nfs/dbraw/zinc/71/73/09/355717309.db2.gz FCTQTWHBSWMYIO-UHFFFAOYSA-N 1 2 236.275 1.015 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000336001161 134047131 /nfs/dbraw/zinc/04/71/31/134047131.db2.gz SGVLVZIAUPUODD-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000336001161 134047132 /nfs/dbraw/zinc/04/71/32/134047132.db2.gz SGVLVZIAUPUODD-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO COCc1cc[nH+]c(NCc2ccon2)c1 ZINC000639312478 355678181 /nfs/dbraw/zinc/67/81/81/355678181.db2.gz FOHJRMLFXHDBBF-UHFFFAOYSA-N 1 2 219.244 1.828 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H](C2CC2)C1 ZINC000335890753 355681950 /nfs/dbraw/zinc/68/19/50/355681950.db2.gz FWGYOGXMTDMUSD-NSHDSACASA-N 1 2 221.304 1.031 20 0 BDADLO Cc1cc(N2C[C@@H](O)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000350683795 355740735 /nfs/dbraw/zinc/74/07/35/355740735.db2.gz HWNPGBLKQVUFAO-KOLCDFICSA-N 1 2 233.315 1.622 20 0 BDADLO COCC1(CCNc2cc(C)[nH+]cn2)CC1 ZINC000584348195 355743828 /nfs/dbraw/zinc/74/38/28/355743828.db2.gz FJCJQFDCRJEWFU-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO C[N@@H+]1CCc2nc3ccccc3c(C(N)=O)c2C1 ZINC000033323023 355725621 /nfs/dbraw/zinc/72/56/21/355725621.db2.gz FTHABYPYJKKXLY-UHFFFAOYSA-N 1 2 241.294 1.322 20 0 BDADLO C[N@H+]1CCc2nc3ccccc3c(C(N)=O)c2C1 ZINC000033323023 355725625 /nfs/dbraw/zinc/72/56/25/355725625.db2.gz FTHABYPYJKKXLY-UHFFFAOYSA-N 1 2 241.294 1.322 20 0 BDADLO Cn1ncc2c1C[N@H+](Cc1ccccc1)C2 ZINC000639325500 355728435 /nfs/dbraw/zinc/72/84/35/355728435.db2.gz TWQPLTQGHVFTTB-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO Cn1ncc2c1C[N@@H+](Cc1ccccc1)C2 ZINC000639325500 355728436 /nfs/dbraw/zinc/72/84/36/355728436.db2.gz TWQPLTQGHVFTTB-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO CC1(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)COC1 ZINC000608497543 355824162 /nfs/dbraw/zinc/82/41/62/355824162.db2.gz DJICAGCKHCXGGW-MRVPVSSYSA-N 1 2 239.237 1.286 20 0 BDADLO CC1(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)COC1 ZINC000608497543 355824163 /nfs/dbraw/zinc/82/41/63/355824163.db2.gz DJICAGCKHCXGGW-MRVPVSSYSA-N 1 2 239.237 1.286 20 0 BDADLO Cn1ncnc1C[NH+]1CC(CC2CC2)C1 ZINC000639342384 355785028 /nfs/dbraw/zinc/78/50/28/355785028.db2.gz ZYLHOZBLRNYAFR-UHFFFAOYSA-N 1 2 206.293 1.047 20 0 BDADLO CCOC[C@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000639364855 355836742 /nfs/dbraw/zinc/83/67/42/355836742.db2.gz JSSPRGNGVVUYOL-JTQLQIEISA-N 1 2 223.320 1.985 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCn2cc[nH+]c2C1 ZINC000428103152 191878531 /nfs/dbraw/zinc/87/85/31/191878531.db2.gz PKMYPJASDNWUAN-KQXIARHKSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255125 355856600 /nfs/dbraw/zinc/85/66/00/355856600.db2.gz OQFGQZFREUIMRG-SRVKXCTJSA-N 1 2 247.342 1.750 20 0 BDADLO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCOCC1 ZINC000191870707 355857389 /nfs/dbraw/zinc/85/73/89/355857389.db2.gz SLJLLGJDLPKAPX-ZDUSSCGKSA-N 1 2 246.310 1.272 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000623255365 355859734 /nfs/dbraw/zinc/85/97/34/355859734.db2.gz COOCADRREDOPQH-DDHJBXDOSA-N 1 2 245.326 1.360 20 0 BDADLO NC(=O)C1([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000336648588 181215293 /nfs/dbraw/zinc/21/52/93/181215293.db2.gz GQVKTZZUANSBQX-UHFFFAOYSA-N 1 2 214.652 1.041 20 0 BDADLO C[C@H](CO)Sc1[nH+]cnc2[nH]ccc21 ZINC000336031261 134058225 /nfs/dbraw/zinc/05/82/25/134058225.db2.gz KULPXYAKKHMPAV-ZCFIWIBFSA-N 1 2 209.274 1.431 20 0 BDADLO CCOc1cccc(C[NH2+]C2(C)COC2)n1 ZINC000639381490 355918351 /nfs/dbraw/zinc/91/83/51/355918351.db2.gz WHXYQZBCTDIGHD-UHFFFAOYSA-N 1 2 222.288 1.359 20 0 BDADLO CC1([NH2+]Cc2nccn2CC(F)(F)F)COC1 ZINC000639382150 355927311 /nfs/dbraw/zinc/92/73/11/355927311.db2.gz NHJCDBYUAKMTAB-UHFFFAOYSA-N 1 2 249.236 1.324 20 0 BDADLO NC(=O)CC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000297414120 181220180 /nfs/dbraw/zinc/22/01/80/181220180.db2.gz MRKIYAPSIUWYEP-UHFFFAOYSA-N 1 2 240.253 1.272 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)CCN12 ZINC000034488896 355895926 /nfs/dbraw/zinc/89/59/26/355895926.db2.gz VCJWUWSQMWMNCX-ZDUSSCGKSA-N 1 2 248.301 1.632 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCN12 ZINC000034488896 355895929 /nfs/dbraw/zinc/89/59/29/355895929.db2.gz VCJWUWSQMWMNCX-ZDUSSCGKSA-N 1 2 248.301 1.632 20 0 BDADLO C[C@H]1CC=C(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256803 355974162 /nfs/dbraw/zinc/97/41/62/355974162.db2.gz VTWAOUWSRFWGFX-JQWIXIFHSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H]1CC=C(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256802 355974361 /nfs/dbraw/zinc/97/43/61/355974361.db2.gz VTWAOUWSRFWGFX-CMPLNLGQSA-N 1 2 245.326 1.670 20 0 BDADLO CSCC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000351138673 355952982 /nfs/dbraw/zinc/95/29/82/355952982.db2.gz GUAKXEIPEUSLSO-JTQLQIEISA-N 1 2 229.345 1.029 20 0 BDADLO CSCC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000351138673 355952985 /nfs/dbraw/zinc/95/29/85/355952985.db2.gz GUAKXEIPEUSLSO-JTQLQIEISA-N 1 2 229.345 1.029 20 0 BDADLO COCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748909 355972397 /nfs/dbraw/zinc/97/23/97/355972397.db2.gz GXNOJYAAVQBPJB-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748909 355972400 /nfs/dbraw/zinc/97/24/00/355972400.db2.gz GXNOJYAAVQBPJB-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](COC)C1 ZINC000351622660 356031562 /nfs/dbraw/zinc/03/15/62/356031562.db2.gz LDMQLCVVUQDEDY-NSHDSACASA-N 1 2 240.303 1.084 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](COC)C1 ZINC000351622660 356031568 /nfs/dbraw/zinc/03/15/68/356031568.db2.gz LDMQLCVVUQDEDY-NSHDSACASA-N 1 2 240.303 1.084 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CC2(CO)CC2)no1 ZINC000351645170 356041682 /nfs/dbraw/zinc/04/16/82/356041682.db2.gz CNBWDDWLZNUMFW-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CC2(CO)CC2)no1 ZINC000351645170 356041686 /nfs/dbraw/zinc/04/16/86/356041686.db2.gz CNBWDDWLZNUMFW-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CC2(CO)CC2)no1 ZINC000351645168 356042052 /nfs/dbraw/zinc/04/20/52/356042052.db2.gz CNBWDDWLZNUMFW-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CC2(CO)CC2)no1 ZINC000351645168 356042058 /nfs/dbraw/zinc/04/20/58/356042058.db2.gz CNBWDDWLZNUMFW-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO CC[N@H+](CCCO)[C@H](C)c1noc(C)n1 ZINC000351523213 356008606 /nfs/dbraw/zinc/00/86/06/356008606.db2.gz NVNUUKWSMROZGI-MRVPVSSYSA-N 1 2 213.281 1.143 20 0 BDADLO CC[N@@H+](CCCO)[C@H](C)c1noc(C)n1 ZINC000351523213 356008609 /nfs/dbraw/zinc/00/86/09/356008609.db2.gz NVNUUKWSMROZGI-MRVPVSSYSA-N 1 2 213.281 1.143 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352115342 134071335 /nfs/dbraw/zinc/07/13/35/134071335.db2.gz KNCRBKFEVBPUGW-FXBDTBDDSA-N 1 2 225.292 1.284 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000352115342 134071336 /nfs/dbraw/zinc/07/13/36/134071336.db2.gz KNCRBKFEVBPUGW-FXBDTBDDSA-N 1 2 225.292 1.284 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[C@H]2C[C@H]2C1 ZINC000623257802 356028451 /nfs/dbraw/zinc/02/84/51/356028451.db2.gz VLQHAGIVXKGTFQ-DEKYYXRVSA-N 1 2 245.326 1.360 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260916 356124198 /nfs/dbraw/zinc/12/41/98/356124198.db2.gz VAXIQPIQAHZFEQ-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO CC(C)(C)CC[NH+]1CC(S(C)(=O)=O)C1 ZINC000418079569 191964356 /nfs/dbraw/zinc/96/43/56/191964356.db2.gz ANMSULYCQYQNHE-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO CCCC[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259140 356087541 /nfs/dbraw/zinc/08/75/41/356087541.db2.gz SBGSZSKMXOKNDL-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262105 356162507 /nfs/dbraw/zinc/16/25/07/356162507.db2.gz OMDMSPXSTOAJNS-QWRGUYRKSA-N 1 2 235.331 1.606 20 0 BDADLO Cc1oncc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000336096240 134080035 /nfs/dbraw/zinc/08/00/35/134080035.db2.gz WMWPVQHNUUGNMP-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1oncc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000336096240 134080036 /nfs/dbraw/zinc/08/00/36/134080036.db2.gz WMWPVQHNUUGNMP-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO O=C(C[C@H]1C=CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261298 356145035 /nfs/dbraw/zinc/14/50/35/356145035.db2.gz KEMDJWJWYTXRFK-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(Nc1nccs1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639437782 356214775 /nfs/dbraw/zinc/21/47/75/356214775.db2.gz QHABSOKOXKNAGU-ZETCQYMHSA-N 1 2 249.299 1.086 20 0 BDADLO CCC(CC)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263896 356227656 /nfs/dbraw/zinc/22/76/56/356227656.db2.gz AKYVYQNBFGXPNG-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC12CCCC2 ZINC000623264531 356236438 /nfs/dbraw/zinc/23/64/38/356236438.db2.gz NLUPMUNLOMYSBP-ZYHUDNBSSA-N 1 2 245.326 1.504 20 0 BDADLO CCC(CC)[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263863 356205044 /nfs/dbraw/zinc/20/50/44/356205044.db2.gz ZRHFCMOWVHFTLV-JQWIXIFHSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000617640026 356250420 /nfs/dbraw/zinc/25/04/20/356250420.db2.gz RKDLHIDVPJDNEJ-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000617640026 356250422 /nfs/dbraw/zinc/25/04/22/356250422.db2.gz RKDLHIDVPJDNEJ-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000617640160 356250779 /nfs/dbraw/zinc/25/07/79/356250779.db2.gz ULEWGQDYVDVOTG-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO C[NH2+]C[C@@H](C)CN=c1nc(C(C)(C)C)o[nH]1 ZINC000420217835 192194465 /nfs/dbraw/zinc/19/44/65/192194465.db2.gz XQPOWLMDSGAVTM-MRVPVSSYSA-N 1 2 226.324 1.056 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H]1CCO ZINC000336119171 134089310 /nfs/dbraw/zinc/08/93/10/134089310.db2.gz HMXBOEJZHZHBKW-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)C)[C@@H](C)CO1 ZINC000617741326 356307397 /nfs/dbraw/zinc/30/73/97/356307397.db2.gz LOUZHOVNTBVRPW-QWRGUYRKSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)C)[C@@H](C)CO1 ZINC000617741326 356307398 /nfs/dbraw/zinc/30/73/98/356307398.db2.gz LOUZHOVNTBVRPW-QWRGUYRKSA-N 1 2 242.363 1.258 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCCN(C)CC2)o1 ZINC000336278233 356328347 /nfs/dbraw/zinc/32/83/47/356328347.db2.gz CCOIAVHCTXGVRG-UHFFFAOYSA-N 1 2 237.347 1.683 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCCN(C)CC2)o1 ZINC000336278233 356328351 /nfs/dbraw/zinc/32/83/51/356328351.db2.gz CCOIAVHCTXGVRG-UHFFFAOYSA-N 1 2 237.347 1.683 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639493911 356317257 /nfs/dbraw/zinc/31/72/57/356317257.db2.gz BCXQILMVTLQJKC-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639493911 356317261 /nfs/dbraw/zinc/31/72/61/356317261.db2.gz BCXQILMVTLQJKC-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO CC[C@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623267152 356318718 /nfs/dbraw/zinc/31/87/18/356318718.db2.gz LMGIBCDERJFPEO-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000639510265 356342012 /nfs/dbraw/zinc/34/20/12/356342012.db2.gz ZTEIUXKAHCFJMF-MRVPVSSYSA-N 1 2 222.279 1.346 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000639510265 356342014 /nfs/dbraw/zinc/34/20/14/356342014.db2.gz ZTEIUXKAHCFJMF-MRVPVSSYSA-N 1 2 222.279 1.346 20 0 BDADLO CC(C)C[C@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623268903 356350380 /nfs/dbraw/zinc/35/03/80/356350380.db2.gz ZFXUEBGEGJJQPY-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000639519898 356364581 /nfs/dbraw/zinc/36/45/81/356364581.db2.gz WQBXBGXYJOXIEM-VIFPVBQESA-N 1 2 239.237 1.211 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000639550323 356422323 /nfs/dbraw/zinc/42/23/23/356422323.db2.gz ZMAJHINBRIFLGG-UHFFFAOYSA-N 1 2 215.247 1.813 20 0 BDADLO CCC(F)(F)C[N@H+]1CCc2n[nH]cc2C1 ZINC000639550323 356422326 /nfs/dbraw/zinc/42/23/26/356422326.db2.gz ZMAJHINBRIFLGG-UHFFFAOYSA-N 1 2 215.247 1.813 20 0 BDADLO FC(F)c1ccc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000631180302 356424432 /nfs/dbraw/zinc/42/44/32/356424432.db2.gz PUAOAERGECAJAW-UHFFFAOYSA-N 1 2 239.229 1.427 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC000639550945 356430179 /nfs/dbraw/zinc/43/01/79/356430179.db2.gz DZBWZWYBKFUCGZ-JTQLQIEISA-N 1 2 223.320 1.657 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC000639550945 356430184 /nfs/dbraw/zinc/43/01/84/356430184.db2.gz DZBWZWYBKFUCGZ-JTQLQIEISA-N 1 2 223.320 1.657 20 0 BDADLO Cc1cc[nH]c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000336154881 134105469 /nfs/dbraw/zinc/10/54/69/134105469.db2.gz PRYQNJKXWAEKRI-UHFFFAOYSA-N 1 2 215.256 1.701 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000639555615 356458528 /nfs/dbraw/zinc/45/85/28/356458528.db2.gz QDSHAUWAPRVSTO-IUCAKERBSA-N 1 2 242.273 1.495 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000639555615 356458530 /nfs/dbraw/zinc/45/85/30/356458530.db2.gz QDSHAUWAPRVSTO-IUCAKERBSA-N 1 2 242.273 1.495 20 0 BDADLO CC[N@@H+](Cc1nc(CC(C)C)no1)C[C@@H](C)O ZINC000352219023 134108798 /nfs/dbraw/zinc/10/87/98/134108798.db2.gz BBVAQPYNEKSKKL-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC[N@H+](Cc1nc(CC(C)C)no1)C[C@@H](C)O ZINC000352219023 134108799 /nfs/dbraw/zinc/10/87/99/134108799.db2.gz BBVAQPYNEKSKKL-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC[C@H](C)C2)[nH]1 ZINC000190475528 356446136 /nfs/dbraw/zinc/44/61/36/356446136.db2.gz PDFGKCBHKJEELP-SECBINFHSA-N 1 2 240.376 1.552 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC[C@H](C)C2)[nH]1 ZINC000190475528 356446137 /nfs/dbraw/zinc/44/61/37/356446137.db2.gz PDFGKCBHKJEELP-SECBINFHSA-N 1 2 240.376 1.552 20 0 BDADLO CCC(F)(F)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000639566608 356484707 /nfs/dbraw/zinc/48/47/07/356484707.db2.gz VIPWUTZCJXALMW-QMMMGPOBSA-N 1 2 222.279 1.392 20 0 BDADLO Cc1cc(NCC2=CCCOC2)c(C#N)c[nH+]1 ZINC000399384841 356487529 /nfs/dbraw/zinc/48/75/29/356487529.db2.gz KPPSEKRIJPGAHY-UHFFFAOYSA-N 1 2 229.283 1.442 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CCCCC1 ZINC000623282127 356465609 /nfs/dbraw/zinc/46/56/09/356465609.db2.gz NIYWEXIRUIFZEA-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336165554 134113140 /nfs/dbraw/zinc/11/31/40/134113140.db2.gz FZWFKDJHZCSNRD-JQWIXIFHSA-N 1 2 247.342 1.702 20 0 BDADLO CC[C@@H](C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000420648103 192255567 /nfs/dbraw/zinc/25/55/67/192255567.db2.gz CTFYSCBQGMKBRG-ZJUUUORDSA-N 1 2 238.335 1.149 20 0 BDADLO CC[C@@H](C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420648103 192255570 /nfs/dbraw/zinc/25/55/70/192255570.db2.gz CTFYSCBQGMKBRG-ZJUUUORDSA-N 1 2 238.335 1.149 20 0 BDADLO OCCC[N@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420915749 192272001 /nfs/dbraw/zinc/27/20/01/192272001.db2.gz MNRLMWRZQODOSQ-XBXGTLAGSA-N 1 2 235.327 1.646 20 0 BDADLO OCCC[N@@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420915749 192272003 /nfs/dbraw/zinc/27/20/03/192272003.db2.gz MNRLMWRZQODOSQ-XBXGTLAGSA-N 1 2 235.327 1.646 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000420915301 192272072 /nfs/dbraw/zinc/27/20/72/192272072.db2.gz LLDGHFYJIRZWKW-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000420915301 192272073 /nfs/dbraw/zinc/27/20/73/192272073.db2.gz LLDGHFYJIRZWKW-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO Cc1cc(CNC(=O)N[C@@H]2CCOC2)cc(C)[nH+]1 ZINC000420821344 192263128 /nfs/dbraw/zinc/26/31/28/192263128.db2.gz RBDMAVNBLLRUPK-GFCCVEGCSA-N 1 2 249.314 1.287 20 0 BDADLO CCOCC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289297 356498536 /nfs/dbraw/zinc/49/85/36/356498536.db2.gz PPZUDCYQGSXMAG-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO CCOCC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289297 356498540 /nfs/dbraw/zinc/49/85/40/356498540.db2.gz PPZUDCYQGSXMAG-LLVKDONJSA-N 1 2 248.326 1.866 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(C2CCC2)no1)c1cn[nH]c1 ZINC000639583918 356506232 /nfs/dbraw/zinc/50/62/32/356506232.db2.gz SGRUOZQHIGQBDY-MRVPVSSYSA-N 1 2 247.302 1.911 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420902837 192268915 /nfs/dbraw/zinc/26/89/15/192268915.db2.gz ACNFORUGYKVKLK-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420902837 192268917 /nfs/dbraw/zinc/26/89/17/192268917.db2.gz ACNFORUGYKVKLK-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CCC(F)(F)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000639606521 356527073 /nfs/dbraw/zinc/52/70/73/356527073.db2.gz QDCPHMQTAZRODF-DTWKUNHWSA-N 1 2 225.279 1.095 20 0 BDADLO CCC(F)(F)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000639606521 356527078 /nfs/dbraw/zinc/52/70/78/356527078.db2.gz QDCPHMQTAZRODF-DTWKUNHWSA-N 1 2 225.279 1.095 20 0 BDADLO CC[C@H]1C[NH+](Cc2ncccn2)C[C@H](CC)O1 ZINC000420960061 192281231 /nfs/dbraw/zinc/28/12/31/192281231.db2.gz QWGOVFCPBDSCJT-RYUDHWBXSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncc(Cl)s1)C(=O)NC ZINC000449777065 202030840 /nfs/dbraw/zinc/03/08/40/202030840.db2.gz PRSTVKJLTHLLEP-ZCFIWIBFSA-N 1 2 247.751 1.411 20 0 BDADLO C[C@H](c1noc(Cc2c[nH+]cn2C)n1)C1CC1 ZINC000350422263 366277886 /nfs/dbraw/zinc/27/78/86/366277886.db2.gz WGNPVMMZKQVXKK-QMMMGPOBSA-N 1 2 232.287 1.907 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)nn1 ZINC000449774838 202032483 /nfs/dbraw/zinc/03/24/83/202032483.db2.gz MFPBYLDTUKNHHT-PWSUYJOCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](C)C[C@H](O)C2)nn1 ZINC000449774838 202032485 /nfs/dbraw/zinc/03/24/85/202032485.db2.gz MFPBYLDTUKNHHT-PWSUYJOCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[N@H+](Cc1nnn(C)n1)C1CC(C)(C)C1 ZINC000449779665 202032554 /nfs/dbraw/zinc/03/25/54/202032554.db2.gz DINFPESKRPXRNO-UHFFFAOYSA-N 1 2 237.351 1.609 20 0 BDADLO CC(C)[N@@H+](Cc1nnn(C)n1)C1CC(C)(C)C1 ZINC000449779665 202032558 /nfs/dbraw/zinc/03/25/58/202032558.db2.gz DINFPESKRPXRNO-UHFFFAOYSA-N 1 2 237.351 1.609 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CC23CC3)c1Cl ZINC000578122513 366280908 /nfs/dbraw/zinc/28/09/08/366280908.db2.gz ZNKWYOMEGVLPLC-ZCFIWIBFSA-N 1 2 224.695 1.346 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CC23CC3)c1Cl ZINC000578122513 366280910 /nfs/dbraw/zinc/28/09/10/366280910.db2.gz ZNKWYOMEGVLPLC-ZCFIWIBFSA-N 1 2 224.695 1.346 20 0 BDADLO O=C(CC1CCCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297639 356550319 /nfs/dbraw/zinc/55/03/19/356550319.db2.gz JOSNAYOOHFMDHE-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO c1cn(CCc2nc(-c3cscn3)no2)c[nH+]1 ZINC000350556984 366298009 /nfs/dbraw/zinc/29/80/09/366298009.db2.gz VGEWKJRDRIPUCO-UHFFFAOYSA-N 1 2 247.283 1.632 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623298962 356555547 /nfs/dbraw/zinc/55/55/47/356555547.db2.gz MVBLIBKUICWZGP-JFGNBEQYSA-N 1 2 233.315 1.360 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](O)C1CCC1 ZINC000449817415 202042564 /nfs/dbraw/zinc/04/25/64/202042564.db2.gz GYHNVSJOKUOBQH-LLVKDONJSA-N 1 2 236.271 1.190 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](CCO)C(C)C)nn1C ZINC000421329637 192317485 /nfs/dbraw/zinc/31/74/85/192317485.db2.gz OCQOJTODIDFTIT-UHFFFAOYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1c(Cl)c(C[N@H+](CCO)C(C)C)nn1C ZINC000421329637 192317486 /nfs/dbraw/zinc/31/74/86/192317486.db2.gz OCQOJTODIDFTIT-UHFFFAOYSA-N 1 2 245.754 1.585 20 0 BDADLO O=C1[C@@H]([N@@H+]2CC[C@H](F)C2)CCN1C1CCC1 ZINC000639665152 356579493 /nfs/dbraw/zinc/57/94/93/356579493.db2.gz XGFHMVZKMYYJOG-ONGXEEELSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@@H]([N@H+]2CC[C@H](F)C2)CCN1C1CCC1 ZINC000639665152 356579494 /nfs/dbraw/zinc/57/94/94/356579494.db2.gz XGFHMVZKMYYJOG-ONGXEEELSA-N 1 2 226.295 1.184 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623307764 356612903 /nfs/dbraw/zinc/61/29/03/356612903.db2.gz NYPIQADCZPOUHQ-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC12CCC2 ZINC000623307871 356614938 /nfs/dbraw/zinc/61/49/38/356614938.db2.gz PTVYIPGQAYBOID-PWSUYJOCSA-N 1 2 245.326 1.504 20 0 BDADLO CC1=C(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623308206 356615433 /nfs/dbraw/zinc/61/54/33/356615433.db2.gz WPKDHQRHSNITOU-NSHDSACASA-N 1 2 245.326 1.815 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccno1 ZINC000639688128 356597225 /nfs/dbraw/zinc/59/72/25/356597225.db2.gz LPJADMQNXAWKRW-OPRDCNLKSA-N 1 2 237.303 1.114 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccno1 ZINC000639688128 356597233 /nfs/dbraw/zinc/59/72/33/356597233.db2.gz LPJADMQNXAWKRW-OPRDCNLKSA-N 1 2 237.303 1.114 20 0 BDADLO CC[C@@H](NC(=O)c1ncc[nH]1)c1[nH]cc[nH+]1 ZINC000613578844 363521797 /nfs/dbraw/zinc/52/17/97/363521797.db2.gz DWPMYSADFBUJFA-SSDOTTSWSA-N 1 2 219.248 1.014 20 0 BDADLO C[C@H](CCO)[N@H+](C)CC(=O)c1ccccc1F ZINC000639723625 356619955 /nfs/dbraw/zinc/61/99/55/356619955.db2.gz OSFLXTFYDUYJGA-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO C[C@H](CCO)[N@@H+](C)CC(=O)c1ccccc1F ZINC000639723625 356619957 /nfs/dbraw/zinc/61/99/57/356619957.db2.gz OSFLXTFYDUYJGA-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000639730075 356623806 /nfs/dbraw/zinc/62/38/06/356623806.db2.gz MTXVVIUIPDKNCI-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000639730075 356623812 /nfs/dbraw/zinc/62/38/12/356623812.db2.gz MTXVVIUIPDKNCI-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1ccco1)S(C)(=O)=O ZINC000450220940 202101658 /nfs/dbraw/zinc/10/16/58/202101658.db2.gz MULMCOPTGCKKQR-VIFPVBQESA-N 1 2 231.317 1.145 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1ccco1)S(C)(=O)=O ZINC000450220940 202101660 /nfs/dbraw/zinc/10/16/60/202101660.db2.gz MULMCOPTGCKKQR-VIFPVBQESA-N 1 2 231.317 1.145 20 0 BDADLO CC(=O)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000639749851 356643892 /nfs/dbraw/zinc/64/38/92/356643892.db2.gz KUXWWCCJQGAKJU-GFCCVEGCSA-N 1 2 225.332 1.999 20 0 BDADLO CC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000639749851 356643894 /nfs/dbraw/zinc/64/38/94/356643894.db2.gz KUXWWCCJQGAKJU-GFCCVEGCSA-N 1 2 225.332 1.999 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@@](O)(C3CC3)C2)c1 ZINC000630094754 363539747 /nfs/dbraw/zinc/53/97/47/363539747.db2.gz KSDSDVYMRRKXFT-AWEZNQCLSA-N 1 2 248.326 1.315 20 0 BDADLO CNc1nc(N(C)CCOC)[nH+]c2ccccc21 ZINC000450269910 202116655 /nfs/dbraw/zinc/11/66/55/202116655.db2.gz KORHEYLZHSLROT-UHFFFAOYSA-N 1 2 246.314 1.176 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@H]2CCCOC2)no1 ZINC000107801343 356674144 /nfs/dbraw/zinc/67/41/44/356674144.db2.gz WCQCJOMZWPYYIJ-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@H]2CCCOC2)no1 ZINC000107801343 356674149 /nfs/dbraw/zinc/67/41/49/356674149.db2.gz WCQCJOMZWPYYIJ-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO C[C@@H]1C[C@@H](c2noc(C[NH+](C)C)n2)CCO1 ZINC000350649758 366316150 /nfs/dbraw/zinc/31/61/50/366316150.db2.gz HQTRWNLTHBWXJF-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@@H]2CCCO2)no1 ZINC000350649273 366316169 /nfs/dbraw/zinc/31/61/69/366316169.db2.gz BZJKPRHNCLTXPI-VIFPVBQESA-N 1 2 225.292 1.763 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@@H]2CCCO2)no1 ZINC000350649273 366316171 /nfs/dbraw/zinc/31/61/71/366316171.db2.gz BZJKPRHNCLTXPI-VIFPVBQESA-N 1 2 225.292 1.763 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389480660 356688167 /nfs/dbraw/zinc/68/81/67/356688167.db2.gz UUVQZKSFFWBAKQ-SFYZADRCSA-N 1 2 243.319 1.443 20 0 BDADLO CC[C@@H](NC(=O)Cc1ccco1)c1[nH]cc[nH+]1 ZINC000442816869 538518914 /nfs/dbraw/zinc/51/89/14/538518914.db2.gz YLDXOMHRPMEFRZ-SNVBAGLBSA-N 1 2 233.271 1.813 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@](C)(CCC)C(=O)OC ZINC000450417356 202160184 /nfs/dbraw/zinc/16/01/84/202160184.db2.gz JCQDSQVLNSKQDD-ZYHUDNBSSA-N 1 2 231.336 1.469 20 0 BDADLO CCC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000450418402 202160743 /nfs/dbraw/zinc/16/07/43/202160743.db2.gz LYQDDUGKQXKLLN-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO CC[N@H+](CC(C)(C)O)[C@@H](C)c1csnn1 ZINC000450403376 202156704 /nfs/dbraw/zinc/15/67/04/202156704.db2.gz CYPIPIGWQAFYSX-QMMMGPOBSA-N 1 2 229.349 1.692 20 0 BDADLO CC[N@@H+](CC(C)(C)O)[C@@H](C)c1csnn1 ZINC000450403376 202156708 /nfs/dbraw/zinc/15/67/08/202156708.db2.gz CYPIPIGWQAFYSX-QMMMGPOBSA-N 1 2 229.349 1.692 20 0 BDADLO CCC[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000542481490 325030488 /nfs/dbraw/zinc/03/04/88/325030488.db2.gz YKCXQDYJQLYSQA-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)nc1 ZINC000639777700 356724439 /nfs/dbraw/zinc/72/44/39/356724439.db2.gz NAHGRXPDBCGLLR-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)nc1 ZINC000639777700 356724444 /nfs/dbraw/zinc/72/44/44/356724444.db2.gz NAHGRXPDBCGLLR-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCCC1)CC2 ZINC000623343174 356745909 /nfs/dbraw/zinc/74/59/09/356745909.db2.gz DEECKRSPPBYHLZ-GFCCVEGCSA-N 1 2 247.342 1.766 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)[nH+]1 ZINC000639794671 356750782 /nfs/dbraw/zinc/75/07/82/356750782.db2.gz BICUMIYDXJSPPO-GWCFXTLKSA-N 1 2 247.298 1.297 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054344167 363566820 /nfs/dbraw/zinc/56/68/20/363566820.db2.gz MFCDDLAIMQLRGX-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054344167 363566824 /nfs/dbraw/zinc/56/68/24/363566824.db2.gz MFCDDLAIMQLRGX-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO Cn1nnnc1C[N@H+](C)CC1=CCCCC1 ZINC000450488930 202183530 /nfs/dbraw/zinc/18/35/30/202183530.db2.gz YHNFZPKZSFOARC-UHFFFAOYSA-N 1 2 221.308 1.142 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CC1=CCCCC1 ZINC000450488930 202183533 /nfs/dbraw/zinc/18/35/33/202183533.db2.gz YHNFZPKZSFOARC-UHFFFAOYSA-N 1 2 221.308 1.142 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccncc2C)CCO1 ZINC000639836866 356823540 /nfs/dbraw/zinc/82/35/40/356823540.db2.gz NNQRCVXFRDLEPS-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccncc2C)CCO1 ZINC000639836866 356823544 /nfs/dbraw/zinc/82/35/44/356823544.db2.gz NNQRCVXFRDLEPS-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000639834709 356824241 /nfs/dbraw/zinc/82/42/41/356824241.db2.gz YMPUURKGXLLWBO-HNNXBMFYSA-N 1 2 247.338 1.980 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000639834709 356824244 /nfs/dbraw/zinc/82/42/44/356824244.db2.gz YMPUURKGXLLWBO-HNNXBMFYSA-N 1 2 247.338 1.980 20 0 BDADLO CO[C@@H]1CN(Cc2[nH+]ccn2C(C)C)CCO1 ZINC000639835009 356824826 /nfs/dbraw/zinc/82/48/26/356824826.db2.gz AMPJANJLIJEPHC-LBPRGKRZSA-N 1 2 239.319 1.269 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H](O)CCC(C)C)CCO1 ZINC000639836070 356826330 /nfs/dbraw/zinc/82/63/30/356826330.db2.gz FSPTYKCPPZUING-RYUDHWBXSA-N 1 2 231.336 1.088 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H](O)CCC(C)C)CCO1 ZINC000639836070 356826333 /nfs/dbraw/zinc/82/63/33/356826333.db2.gz FSPTYKCPPZUING-RYUDHWBXSA-N 1 2 231.336 1.088 20 0 BDADLO Cc1cc(N)nc(SCc2ccnc(C)n2)[nH+]1 ZINC000356044493 356786286 /nfs/dbraw/zinc/78/62/86/356786286.db2.gz WMIPZQKNNZUSAA-UHFFFAOYSA-N 1 2 247.327 1.588 20 0 BDADLO CCOC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000281896557 538713281 /nfs/dbraw/zinc/71/32/81/538713281.db2.gz PNRFUAMMHIOMOW-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCOC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000281896557 538713290 /nfs/dbraw/zinc/71/32/90/538713290.db2.gz PNRFUAMMHIOMOW-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CCCC1)CC2 ZINC000623382097 356905283 /nfs/dbraw/zinc/90/52/83/356905283.db2.gz XTVHXRSQXGVGDM-LLVKDONJSA-N 1 2 247.342 1.813 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)[C@H]1CCOC1 ZINC000361587163 356935096 /nfs/dbraw/zinc/93/50/96/356935096.db2.gz ITGFUWKNZMKHAL-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)[C@H]1CCOC1 ZINC000361587163 356935099 /nfs/dbraw/zinc/93/50/99/356935099.db2.gz ITGFUWKNZMKHAL-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CCN1CC[N@H+](CCc2cccnc2)[C@@H](C)C1=O ZINC000361852910 356938034 /nfs/dbraw/zinc/93/80/34/356938034.db2.gz ZLHQCYYZNICSOI-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@@H+](CCc2cccnc2)[C@@H](C)C1=O ZINC000361852910 356938038 /nfs/dbraw/zinc/93/80/38/356938038.db2.gz ZLHQCYYZNICSOI-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CC[N@H+](Cc1ccncc1)Cc1ncccn1 ZINC000361866069 356938553 /nfs/dbraw/zinc/93/85/53/356938553.db2.gz SLMLRWIEGBAWBU-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1ccncc1)Cc1ncccn1 ZINC000361866069 356938555 /nfs/dbraw/zinc/93/85/55/356938555.db2.gz SLMLRWIEGBAWBU-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CCCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000623391897 356940177 /nfs/dbraw/zinc/94/01/77/356940177.db2.gz JPWRHUCPWAICDN-UHFFFAOYSA-N 1 2 217.272 1.783 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@@H]2C)c(C#N)c[nH+]1 ZINC000399579034 356981585 /nfs/dbraw/zinc/98/15/85/356981585.db2.gz KYYFRTKBILMCHH-KOLCDFICSA-N 1 2 217.272 1.273 20 0 BDADLO F[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000450603275 202208171 /nfs/dbraw/zinc/20/81/71/202208171.db2.gz GYWWTDSRWWHTTG-JTQLQIEISA-N 1 2 236.294 1.847 20 0 BDADLO F[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000450603275 202208173 /nfs/dbraw/zinc/20/81/73/202208173.db2.gz GYWWTDSRWWHTTG-JTQLQIEISA-N 1 2 236.294 1.847 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCOC2=O)[C@@H]1[C@H]1CCCO1 ZINC000367706675 356957992 /nfs/dbraw/zinc/95/79/92/356957992.db2.gz ODYMDZCHSFGBDP-GMTAPVOTSA-N 1 2 239.315 1.191 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCOC2=O)[C@@H]1[C@H]1CCCO1 ZINC000367706675 356957994 /nfs/dbraw/zinc/95/79/94/356957994.db2.gz ODYMDZCHSFGBDP-GMTAPVOTSA-N 1 2 239.315 1.191 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC(F)(F)F ZINC000354378747 538776831 /nfs/dbraw/zinc/77/68/31/538776831.db2.gz ARAQTBZDEXYGKO-UHFFFAOYSA-N 1 2 235.209 1.411 20 0 BDADLO CCc1nc(C[N@@H+]2CCCOC(C)(C)C2)no1 ZINC000370668465 357024418 /nfs/dbraw/zinc/02/44/18/357024418.db2.gz WMJLMNLXIVEFBD-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+]2CCCOC(C)(C)C2)no1 ZINC000370668465 357024421 /nfs/dbraw/zinc/02/44/21/357024421.db2.gz WMJLMNLXIVEFBD-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)CC2(CCC2)O1 ZINC000582302104 357040107 /nfs/dbraw/zinc/04/01/07/357040107.db2.gz CAEOFQJIGPHFOA-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)CC2(CCC2)O1 ZINC000582302104 357040109 /nfs/dbraw/zinc/04/01/09/357040109.db2.gz CAEOFQJIGPHFOA-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO CC[C@@H](NC(=O)C12CC(C1)C2)c1[nH]cc[nH+]1 ZINC000626484296 357049385 /nfs/dbraw/zinc/04/93/85/357049385.db2.gz QDHKOVYXJIUCRN-NBBOBHDQSA-N 1 2 219.288 1.777 20 0 BDADLO C[C@H]1[N@H+](Cc2cncnc2)CCOC1(C)C ZINC000353871179 538768932 /nfs/dbraw/zinc/76/89/32/538768932.db2.gz UBSZBBFZRPBJEZ-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1[N@@H+](Cc2cncnc2)CCOC1(C)C ZINC000353871179 538768938 /nfs/dbraw/zinc/76/89/38/538768938.db2.gz UBSZBBFZRPBJEZ-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC(F)(F)F ZINC000354378747 538776826 /nfs/dbraw/zinc/77/68/26/538776826.db2.gz ARAQTBZDEXYGKO-UHFFFAOYSA-N 1 2 235.209 1.411 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000355253298 538791654 /nfs/dbraw/zinc/79/16/54/538791654.db2.gz MECYYNLKYZDGDJ-ZYHUDNBSSA-N 1 2 221.304 1.473 20 0 BDADLO CCc1oc(C(=O)NCc2c[nH+]cn2C)cc1C ZINC000355266429 538792503 /nfs/dbraw/zinc/79/25/03/538792503.db2.gz NFQDPCSTDVJCTN-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000582334596 357069316 /nfs/dbraw/zinc/06/93/16/357069316.db2.gz LODNOIRLXHWSLK-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO COc1ccc[nH+]c1NCCc1cnccn1 ZINC000390226884 357086524 /nfs/dbraw/zinc/08/65/24/357086524.db2.gz QZHWKFJARDZHQJ-UHFFFAOYSA-N 1 2 230.271 1.535 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000639883071 357146851 /nfs/dbraw/zinc/14/68/51/357146851.db2.gz BMKDIJTUVUUPBD-UWVGGRQHSA-N 1 2 221.291 1.982 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000639883071 357146854 /nfs/dbraw/zinc/14/68/54/357146854.db2.gz BMKDIJTUVUUPBD-UWVGGRQHSA-N 1 2 221.291 1.982 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)c1cccnc1 ZINC000355987759 538805313 /nfs/dbraw/zinc/80/53/13/538805313.db2.gz NACQEULHHBQNOS-UHFFFAOYSA-N 1 2 230.271 1.400 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)c1cccnc1 ZINC000355987759 538805319 /nfs/dbraw/zinc/80/53/19/538805319.db2.gz NACQEULHHBQNOS-UHFFFAOYSA-N 1 2 230.271 1.400 20 0 BDADLO Cc1cncc(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000355563185 538796170 /nfs/dbraw/zinc/79/61/70/538796170.db2.gz XKWMGJISZYRKNB-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cncc(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000355563185 538796175 /nfs/dbraw/zinc/79/61/75/538796175.db2.gz XKWMGJISZYRKNB-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C12CC(C1)C2 ZINC000626521896 357171659 /nfs/dbraw/zinc/17/16/59/357171659.db2.gz PSRUPWVUXLTSOL-QUNCOHTASA-N 1 2 231.299 1.114 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](CC)COC)C(=O)OC ZINC000131231862 325126894 /nfs/dbraw/zinc/12/68/94/325126894.db2.gz OONNVWSKUSWPAG-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1cnccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639900457 357285310 /nfs/dbraw/zinc/28/53/10/357285310.db2.gz TUWVCXIVUSDPND-UHFFFAOYSA-N 1 2 245.286 1.199 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC=CC1 ZINC000639900763 357286431 /nfs/dbraw/zinc/28/64/31/357286431.db2.gz YKPMUPVUOIOALN-UHFFFAOYSA-N 1 2 203.245 1.216 20 0 BDADLO Cc1n[nH]c(C)c1C[NH+]1CC2(C1)CCCO2 ZINC000628426795 357255033 /nfs/dbraw/zinc/25/50/33/357255033.db2.gz MFAWBYLMOGCGBC-UHFFFAOYSA-N 1 2 221.304 1.391 20 0 BDADLO CCCCNC(=O)NCc1c[nH+]cn1C ZINC000357065951 538824786 /nfs/dbraw/zinc/82/47/86/538824786.db2.gz LOOWOEVRVPSIKJ-UHFFFAOYSA-N 1 2 210.281 1.019 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)on1 ZINC000393294246 357280753 /nfs/dbraw/zinc/28/07/53/357280753.db2.gz BRUQZTJKCNNQKA-MWLCHTKSSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)C(F)F)cc[nH+]1 ZINC000639901573 357311043 /nfs/dbraw/zinc/31/10/43/357311043.db2.gz YCGSJQYIIPQTDU-SSDOTTSWSA-N 1 2 229.230 1.587 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nc(CC)no1 ZINC000050067295 357312069 /nfs/dbraw/zinc/31/20/69/357312069.db2.gz BBHAMWXKTJRSGN-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nc(CC)no1 ZINC000050067295 357312071 /nfs/dbraw/zinc/31/20/71/357312071.db2.gz BBHAMWXKTJRSGN-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO COC[C@H](C)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000582734956 357376897 /nfs/dbraw/zinc/37/68/97/357376897.db2.gz ZBWJXAQSHYVMKP-JTQLQIEISA-N 1 2 234.299 1.476 20 0 BDADLO COC[C@H](C)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000582734956 357376899 /nfs/dbraw/zinc/37/68/99/357376899.db2.gz ZBWJXAQSHYVMKP-JTQLQIEISA-N 1 2 234.299 1.476 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)C(F)(F)F ZINC000582781057 357390800 /nfs/dbraw/zinc/39/08/00/357390800.db2.gz QYOSPWWTCYOXCG-BYPYZUCNSA-N 1 2 207.142 1.154 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613270423 357402482 /nfs/dbraw/zinc/40/24/82/357402482.db2.gz MEJRNZGDWCVHKU-ZWNOBZJWSA-N 1 2 247.342 1.772 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613270423 357402483 /nfs/dbraw/zinc/40/24/83/357402483.db2.gz MEJRNZGDWCVHKU-ZWNOBZJWSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@H](C)C1 ZINC000582856987 357421901 /nfs/dbraw/zinc/42/19/01/357421901.db2.gz VPQRDDONLFSSFD-SECBINFHSA-N 1 2 207.277 1.319 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCC(=O)C1)Cn1cc[nH+]c1 ZINC000582906865 357424189 /nfs/dbraw/zinc/42/41/89/357424189.db2.gz NAOJFTVGEQKPFD-QWRGUYRKSA-N 1 2 249.314 1.005 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3nncc3C2)c(C)n1 ZINC000582913137 357434265 /nfs/dbraw/zinc/43/42/65/357434265.db2.gz BJUVYSIVGIEYDH-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3nncc3C2)c(C)n1 ZINC000582913137 357434270 /nfs/dbraw/zinc/43/42/70/357434270.db2.gz BJUVYSIVGIEYDH-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CCn1c[nH+]cc1CNCC(F)(F)C(F)F ZINC000230670898 357548536 /nfs/dbraw/zinc/54/85/36/357548536.db2.gz PCQGDXINWJMKHV-UHFFFAOYSA-N 1 2 239.216 1.893 20 0 BDADLO Cc1ccc(C[NH2+]CC(F)(F)CO)cc1F ZINC000231776704 357628704 /nfs/dbraw/zinc/62/87/04/357628704.db2.gz XQCSNLSAUWTGQM-UHFFFAOYSA-N 1 2 233.233 1.851 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC1(C)C ZINC000583223077 357629655 /nfs/dbraw/zinc/62/96/55/357629655.db2.gz ACRQAOBUUCFKIU-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1C[N@H+](CCN(CC(F)F)C2CC2)CCO1 ZINC000189929511 357677143 /nfs/dbraw/zinc/67/71/43/357677143.db2.gz SYUOYEPRTZQXKM-SNVBAGLBSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1C[N@@H+](CCN(CC(F)F)C2CC2)CCO1 ZINC000189929511 357677144 /nfs/dbraw/zinc/67/71/44/357677144.db2.gz SYUOYEPRTZQXKM-SNVBAGLBSA-N 1 2 248.317 1.437 20 0 BDADLO Cc1ccccc1C[NH2+]Cc1nc(N(C)C)no1 ZINC000190972247 357735184 /nfs/dbraw/zinc/73/51/84/357735184.db2.gz QJFDZMSROMFEHJ-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@H]2CCCO2)o1 ZINC000545520034 325226600 /nfs/dbraw/zinc/22/66/00/325226600.db2.gz AZVFRWCMDWKJBX-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000545520034 325226603 /nfs/dbraw/zinc/22/66/03/325226603.db2.gz AZVFRWCMDWKJBX-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO CC[C@@H](NC(=O)c1ccnc(C)c1)c1[nH]cc[nH+]1 ZINC000233905871 357762414 /nfs/dbraw/zinc/76/24/14/357762414.db2.gz URRFDICTYYWYRH-LLVKDONJSA-N 1 2 244.298 1.994 20 0 BDADLO CN(Cc1ccoc1)c1nc[nH+]c(N)c1Cl ZINC000234314435 357800440 /nfs/dbraw/zinc/80/04/40/357800440.db2.gz ZLCRVYCUYIXUML-UHFFFAOYSA-N 1 2 238.678 1.942 20 0 BDADLO CN(Cc1ccoc1)c1[nH+]cnc(N)c1Cl ZINC000234314435 357800445 /nfs/dbraw/zinc/80/04/45/357800445.db2.gz ZLCRVYCUYIXUML-UHFFFAOYSA-N 1 2 238.678 1.942 20 0 BDADLO CCC(CC)C[N@@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192065224 357816260 /nfs/dbraw/zinc/81/62/60/357816260.db2.gz IZAFEEZAHOULDO-LLVKDONJSA-N 1 2 247.404 1.789 20 0 BDADLO CCC(CC)C[N@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000192065224 357816261 /nfs/dbraw/zinc/81/62/61/357816261.db2.gz IZAFEEZAHOULDO-LLVKDONJSA-N 1 2 247.404 1.789 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)C1CCCCC1 ZINC000191672738 357783490 /nfs/dbraw/zinc/78/34/90/357783490.db2.gz LZVABKMJNPVEAL-CYBMUJFWSA-N 1 2 237.347 1.831 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCCO[C@H](C)C2)on1 ZINC000583271021 357787366 /nfs/dbraw/zinc/78/73/66/357787366.db2.gz LBHXMJOOMDXJCZ-SECBINFHSA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCCO[C@H](C)C2)on1 ZINC000583271021 357787367 /nfs/dbraw/zinc/78/73/67/357787367.db2.gz LBHXMJOOMDXJCZ-SECBINFHSA-N 1 2 238.287 1.488 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1csnn1 ZINC000398231998 357868261 /nfs/dbraw/zinc/86/82/61/357868261.db2.gz JCDUHVRKBXITKN-UJURSFKZSA-N 1 2 241.238 1.112 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccnc2OC)CCO1 ZINC000193306606 357874129 /nfs/dbraw/zinc/87/41/29/357874129.db2.gz SDNHAQYORIIRBY-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccnc2OC)CCO1 ZINC000193306606 357874132 /nfs/dbraw/zinc/87/41/32/357874132.db2.gz SDNHAQYORIIRBY-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC(C)(C)[C@H]2c2ccco2)C1=O ZINC000639928330 357876874 /nfs/dbraw/zinc/87/68/74/357876874.db2.gz WDHWSTRSRMMLLT-CMPLNLGQSA-N 1 2 248.326 1.893 20 0 BDADLO CN1CC[C@H]([N@H+]2CC(C)(C)[C@H]2c2ccco2)C1=O ZINC000639928330 357876879 /nfs/dbraw/zinc/87/68/79/357876879.db2.gz WDHWSTRSRMMLLT-CMPLNLGQSA-N 1 2 248.326 1.893 20 0 BDADLO C[C@@]1(F)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000584392337 357884130 /nfs/dbraw/zinc/88/41/30/357884130.db2.gz GVNAYHSDNSOBHT-LLVKDONJSA-N 1 2 225.267 1.234 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2c[nH+]cn2C)[C@@H]1C(=O)[O-] ZINC000235672648 357927021 /nfs/dbraw/zinc/92/70/21/357927021.db2.gz YGSUCTZWMVFYDZ-ONGXEEELSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2c[nH+]cn2C)[C@@H]1C(=O)[O-] ZINC000235672648 357927024 /nfs/dbraw/zinc/92/70/24/357927024.db2.gz YGSUCTZWMVFYDZ-ONGXEEELSA-N 1 2 237.303 1.105 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000583851100 357972883 /nfs/dbraw/zinc/97/28/83/357972883.db2.gz IZKAAIBGKCEBTG-VHSXEESVSA-N 1 2 232.287 1.856 20 0 BDADLO C[C@@H](c1nnnn1C)[NH+]1CCC(CCF)CC1 ZINC000639989688 358032524 /nfs/dbraw/zinc/03/25/24/358032524.db2.gz LEPFRZNUJRTHET-VIFPVBQESA-N 1 2 241.314 1.343 20 0 BDADLO Cc1nc(C[N@@H+]2CCS[C@@H](C(C)C)C2)no1 ZINC000076063992 325328248 /nfs/dbraw/zinc/32/82/48/325328248.db2.gz UZGDRHFQVMXRHL-SNVBAGLBSA-N 1 2 241.360 1.951 20 0 BDADLO Cc1nc(C[N@H+]2CCS[C@@H](C(C)C)C2)no1 ZINC000076063992 325328252 /nfs/dbraw/zinc/32/82/52/325328252.db2.gz UZGDRHFQVMXRHL-SNVBAGLBSA-N 1 2 241.360 1.951 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cnc(C)s1 ZINC000051924080 358101379 /nfs/dbraw/zinc/10/13/79/358101379.db2.gz UPIFTWWHKKIHPX-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000640035233 358125091 /nfs/dbraw/zinc/12/50/91/358125091.db2.gz IQROWDQXFQTJIC-JOYOIKCWSA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@@]1(O)CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000640035233 358125094 /nfs/dbraw/zinc/12/50/94/358125094.db2.gz IQROWDQXFQTJIC-JOYOIKCWSA-N 1 2 239.319 1.676 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2csnn2)[C@@H]1CO ZINC000640059412 358148804 /nfs/dbraw/zinc/14/88/04/358148804.db2.gz SHFLTAIAPXPUGE-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2csnn2)[C@@H]1CO ZINC000640059412 358148805 /nfs/dbraw/zinc/14/88/05/358148805.db2.gz SHFLTAIAPXPUGE-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C)(F)CC2)o1 ZINC000640069036 358155388 /nfs/dbraw/zinc/15/53/88/358155388.db2.gz BNISXBQCNMDMJL-UHFFFAOYSA-N 1 2 227.283 1.956 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C)(F)CC2)o1 ZINC000640070263 358155702 /nfs/dbraw/zinc/15/57/02/358155702.db2.gz ZWVCBBIGYREASM-UHFFFAOYSA-N 1 2 213.256 1.702 20 0 BDADLO CCN(c1cc[nH+]c(C2CC2)n1)C1COC1 ZINC000450655526 202227416 /nfs/dbraw/zinc/22/74/16/202227416.db2.gz TXERRNPNLOPBSR-UHFFFAOYSA-N 1 2 219.288 1.579 20 0 BDADLO Cn1cc[nH+]c1CN1Cc2ccccc2CO1 ZINC000640125130 358204895 /nfs/dbraw/zinc/20/48/95/358204895.db2.gz MPAFEQKLGNYKTO-UHFFFAOYSA-N 1 2 229.283 1.868 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H]([C@H](C)O)C1 ZINC000584241996 491124699 /nfs/dbraw/zinc/12/46/99/491124699.db2.gz CQBCGVWLMHFYRO-ONGXEEELSA-N 1 2 221.304 1.301 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000450644523 202223124 /nfs/dbraw/zinc/22/31/24/202223124.db2.gz FRLCOUPSKYSPEM-RKDXNWHRSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)s1 ZINC000450644523 202223127 /nfs/dbraw/zinc/22/31/27/202223127.db2.gz FRLCOUPSKYSPEM-RKDXNWHRSA-N 1 2 241.360 1.474 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)[C@H](C)CC ZINC000450687361 202234844 /nfs/dbraw/zinc/23/48/44/202234844.db2.gz APGGRQHNHIXDSF-WOPDTQHZSA-N 1 2 245.363 1.715 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)C[C@H]1CC=CCC1 ZINC000450708858 202238761 /nfs/dbraw/zinc/23/87/61/202238761.db2.gz DHMZYASROQNXTP-JTQLQIEISA-N 1 2 206.293 1.593 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)C[C@H]1CC=CCC1 ZINC000450708858 202238766 /nfs/dbraw/zinc/23/87/66/202238766.db2.gz DHMZYASROQNXTP-JTQLQIEISA-N 1 2 206.293 1.593 20 0 BDADLO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000450764105 202257544 /nfs/dbraw/zinc/25/75/44/202257544.db2.gz PZNMTQAXARSJCQ-MNOVXSKESA-N 1 2 240.376 1.959 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000351191490 366446085 /nfs/dbraw/zinc/44/60/85/366446085.db2.gz YMIUNYWVKGFTMJ-NSHDSACASA-N 1 2 245.282 1.740 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000351191490 366446091 /nfs/dbraw/zinc/44/60/91/366446091.db2.gz YMIUNYWVKGFTMJ-NSHDSACASA-N 1 2 245.282 1.740 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@H]1CCCC[C@@H]1O ZINC000231358453 358416711 /nfs/dbraw/zinc/41/67/11/358416711.db2.gz NVVCNWJUEYIYQX-ZJUUUORDSA-N 1 2 237.290 1.097 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@H]1CCCC[C@@H]1O ZINC000231358453 358416716 /nfs/dbraw/zinc/41/67/16/358416716.db2.gz NVVCNWJUEYIYQX-ZJUUUORDSA-N 1 2 237.290 1.097 20 0 BDADLO CCC(CC)c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000351214816 366453014 /nfs/dbraw/zinc/45/30/14/366453014.db2.gz RAZNRLQQXZVJKR-SNVBAGLBSA-N 1 2 239.319 1.976 20 0 BDADLO CCC(CC)c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000351214816 366453019 /nfs/dbraw/zinc/45/30/19/366453019.db2.gz RAZNRLQQXZVJKR-SNVBAGLBSA-N 1 2 239.319 1.976 20 0 BDADLO COCc1noc([C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000547770107 325392201 /nfs/dbraw/zinc/39/22/01/325392201.db2.gz KBQGRPWXEVBGCZ-CIUDSAMLSA-N 1 2 225.292 1.760 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(F)F ZINC000640195064 358623271 /nfs/dbraw/zinc/62/32/71/358623271.db2.gz PLYCBYSFKDIRIV-ZETCQYMHSA-N 1 2 246.261 1.528 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC000175170057 134285810 /nfs/dbraw/zinc/28/58/10/134285810.db2.gz HKLUFUKALIVASZ-MRVPVSSYSA-N 1 2 243.307 1.292 20 0 BDADLO CC[NH+]1CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000049834524 358703800 /nfs/dbraw/zinc/70/38/00/358703800.db2.gz OFUDNFFNITTZPG-UHFFFAOYSA-N 1 2 246.310 1.033 20 0 BDADLO Cc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)n[nH]1 ZINC000049316007 358682572 /nfs/dbraw/zinc/68/25/72/358682572.db2.gz FSDXLOKAZQCWCE-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO CCO[C@@H](C)c1nccn1CCn1cc[nH+]c1 ZINC000133469555 358756361 /nfs/dbraw/zinc/75/63/61/358756361.db2.gz NFXRMFVHBKJZCV-NSHDSACASA-N 1 2 234.303 1.877 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000051886800 358765207 /nfs/dbraw/zinc/76/52/07/358765207.db2.gz SSKQDZSCROYVEY-QMMMGPOBSA-N 1 2 231.246 1.092 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000051886800 358765210 /nfs/dbraw/zinc/76/52/10/358765210.db2.gz SSKQDZSCROYVEY-QMMMGPOBSA-N 1 2 231.246 1.092 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000176456088 134291681 /nfs/dbraw/zinc/29/16/81/134291681.db2.gz XUMHDUGXFMGQCD-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000176456088 134291682 /nfs/dbraw/zinc/29/16/82/134291682.db2.gz XUMHDUGXFMGQCD-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO CCc1nnc(C[N@H+](CC)CCC(=O)OC)o1 ZINC000050053821 358710417 /nfs/dbraw/zinc/71/04/17/358710417.db2.gz PKAFBKIVJLNUEW-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO CCc1nnc(C[N@@H+](CC)CCC(=O)OC)o1 ZINC000050053821 358710422 /nfs/dbraw/zinc/71/04/22/358710422.db2.gz PKAFBKIVJLNUEW-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO CC(C)Cc1noc(C[N@H+](CCO)C(C)C)n1 ZINC000050103734 358715788 /nfs/dbraw/zinc/71/57/88/358715788.db2.gz YVOZOKFTGLYXAF-UHFFFAOYSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000050103734 358715791 /nfs/dbraw/zinc/71/57/91/358715791.db2.gz YVOZOKFTGLYXAF-UHFFFAOYSA-N 1 2 241.335 1.471 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(CC(N)=O)cc1 ZINC000051922633 358768383 /nfs/dbraw/zinc/76/83/83/358768383.db2.gz HDSHGSIYSVLJMR-UHFFFAOYSA-N 1 2 244.298 1.060 20 0 BDADLO Cc1nnc(C[N@@H+]2CCn3cccc3[C@H]2C)n1C ZINC000051960355 358768647 /nfs/dbraw/zinc/76/86/47/358768647.db2.gz GLTXNWKUALANEA-SNVBAGLBSA-N 1 2 245.330 1.502 20 0 BDADLO Cc1nnc(C[N@H+]2CCn3cccc3[C@H]2C)n1C ZINC000051960355 358768649 /nfs/dbraw/zinc/76/86/49/358768649.db2.gz GLTXNWKUALANEA-SNVBAGLBSA-N 1 2 245.330 1.502 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)c1cncs1 ZINC000308518715 491136798 /nfs/dbraw/zinc/13/67/98/491136798.db2.gz NVGODOXXKAKLHC-ZETCQYMHSA-N 1 2 209.274 1.982 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1nnc2ccccn21 ZINC000135130241 358821966 /nfs/dbraw/zinc/82/19/66/358821966.db2.gz HDOPWUIAPQTJHL-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CCSC)o1 ZINC000134198871 358782851 /nfs/dbraw/zinc/78/28/51/358782851.db2.gz YYAZPJJAWGAENY-QMMMGPOBSA-N 1 2 229.349 1.988 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CCSC)o1 ZINC000134198871 358782854 /nfs/dbraw/zinc/78/28/54/358782854.db2.gz YYAZPJJAWGAENY-QMMMGPOBSA-N 1 2 229.349 1.988 20 0 BDADLO COC(=O)CC1([NH2+]Cc2csnn2)CCC1 ZINC000134415017 358789671 /nfs/dbraw/zinc/78/96/71/358789671.db2.gz FUMDRMVGVZTITD-UHFFFAOYSA-N 1 2 241.316 1.114 20 0 BDADLO C[C@H](NC1(C(F)F)CC1)c1[nH]cc[nH+]1 ZINC000308655140 491137603 /nfs/dbraw/zinc/13/76/03/491137603.db2.gz NRORCCRXNNMQIB-LURJTMIESA-N 1 2 201.220 1.858 20 0 BDADLO CC[C@H](NC(=O)c1cncc(O)c1)c1[nH]cc[nH+]1 ZINC000139750590 358913461 /nfs/dbraw/zinc/91/34/61/358913461.db2.gz KBBFIZKXQUAUPV-JTQLQIEISA-N 1 2 246.270 1.391 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)nn2)c(C)o1 ZINC000054861054 358877530 /nfs/dbraw/zinc/87/75/30/358877530.db2.gz SSBSIHFHUFRMKV-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO Cc1n[nH]cc1CCCNc1cc[nH+]c(C)n1 ZINC000054936441 358879634 /nfs/dbraw/zinc/87/96/34/358879634.db2.gz BUCHSSVXPSTEDL-UHFFFAOYSA-N 1 2 231.303 1.861 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCCn3nccc32)co1 ZINC000640220039 358891995 /nfs/dbraw/zinc/89/19/95/358891995.db2.gz JWNZKTCIEIHDIK-NSHDSACASA-N 1 2 232.287 1.804 20 0 BDADLO CC[C@@H](NC(=O)c1cc(C)on1)c1[nH]cc[nH+]1 ZINC000140536904 358922466 /nfs/dbraw/zinc/92/24/66/358922466.db2.gz KSZUNAYEINIPKA-MRVPVSSYSA-N 1 2 234.259 1.587 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000140464774 358922845 /nfs/dbraw/zinc/92/28/45/358922845.db2.gz CJBWQDXTBQWHFM-UWVGGRQHSA-N 1 2 237.303 1.404 20 0 BDADLO CC[C@H](NC(=O)c1cc(C)no1)c1[nH]cc[nH+]1 ZINC000140710625 358926183 /nfs/dbraw/zinc/92/61/83/358926183.db2.gz IKADISJPEIBEOK-QMMMGPOBSA-N 1 2 234.259 1.587 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180257 358929211 /nfs/dbraw/zinc/92/92/11/358929211.db2.gz VQZOENFKOIWMRZ-SSDOTTSWSA-N 1 2 207.220 1.137 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180257 358929214 /nfs/dbraw/zinc/92/92/14/358929214.db2.gz VQZOENFKOIWMRZ-SSDOTTSWSA-N 1 2 207.220 1.137 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1cccc(F)c1 ZINC000070979330 359068775 /nfs/dbraw/zinc/06/87/75/359068775.db2.gz MXMFPYOLXQXMHZ-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1F ZINC000070990123 359068858 /nfs/dbraw/zinc/06/88/58/359068858.db2.gz LDVSAQCKSFTVQP-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)ccc1F ZINC000070989948 359068927 /nfs/dbraw/zinc/06/89/27/359068927.db2.gz JUOSIALBKBDGQV-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO COc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070990475 359070047 /nfs/dbraw/zinc/07/00/47/359070047.db2.gz ISGKAEWASUTTQU-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC=CCC1 ZINC000072960765 359091942 /nfs/dbraw/zinc/09/19/42/359091942.db2.gz YPIKCBYAJYSTCO-NSHDSACASA-N 1 2 233.315 1.735 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1nccn1C ZINC000070445509 359055204 /nfs/dbraw/zinc/05/52/04/359055204.db2.gz VIRIQHSYTRFIKL-DGCLKSJQSA-N 1 2 245.326 1.804 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000075618448 359183096 /nfs/dbraw/zinc/18/30/96/359183096.db2.gz GZHGUTXWRDGFGX-SNVBAGLBSA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000075618448 359183098 /nfs/dbraw/zinc/18/30/98/359183098.db2.gz GZHGUTXWRDGFGX-SNVBAGLBSA-N 1 2 239.706 1.185 20 0 BDADLO Cc1ncoc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000074686462 359123965 /nfs/dbraw/zinc/12/39/65/359123965.db2.gz BODGCSWNRBWCPB-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)oc1C ZINC000074726108 359126393 /nfs/dbraw/zinc/12/63/93/359126393.db2.gz GAVSVGWOZJJXOF-UHFFFAOYSA-N 1 2 222.288 1.284 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000246631813 359153616 /nfs/dbraw/zinc/15/36/16/359153616.db2.gz HUZMGPILVOQWGL-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000246631813 359153620 /nfs/dbraw/zinc/15/36/20/359153620.db2.gz HUZMGPILVOQWGL-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000247568155 359235334 /nfs/dbraw/zinc/23/53/34/359235334.db2.gz LFGACASIMQWOHF-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000247568155 359235338 /nfs/dbraw/zinc/23/53/38/359235338.db2.gz LFGACASIMQWOHF-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247703494 359242230 /nfs/dbraw/zinc/24/22/30/359242230.db2.gz RISHDICJBJSIQF-WOPDTQHZSA-N 1 2 242.363 1.400 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247703494 359242233 /nfs/dbraw/zinc/24/22/33/359242233.db2.gz RISHDICJBJSIQF-WOPDTQHZSA-N 1 2 242.363 1.400 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248366882 359270125 /nfs/dbraw/zinc/27/01/25/359270125.db2.gz SQPRDCGESWYMEQ-URLYPYJESA-N 1 2 219.288 1.045 20 0 BDADLO COC(=O)C[N@H+](C)Cc1nccc2ccccc21 ZINC000611255187 359275119 /nfs/dbraw/zinc/27/51/19/359275119.db2.gz CUUIOFNGYKYUEH-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1nccc2ccccc21 ZINC000611255187 359275123 /nfs/dbraw/zinc/27/51/23/359275123.db2.gz CUUIOFNGYKYUEH-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO Cc1cc(C)c(CNc2cccc[nH+]2)c(=O)[nH]1 ZINC000078596280 359339125 /nfs/dbraw/zinc/33/91/25/359339125.db2.gz DOVDCWAMTUVVKU-UHFFFAOYSA-N 1 2 229.283 1.999 20 0 BDADLO CCSCC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000152527953 359345544 /nfs/dbraw/zinc/34/55/44/359345544.db2.gz QAQFZGRMJLNWNB-SECBINFHSA-N 1 2 233.377 1.917 20 0 BDADLO COCC1([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000611516839 359386785 /nfs/dbraw/zinc/38/67/85/359386785.db2.gz PVWBWBUUBZOVJB-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COCC1([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000611516839 359386788 /nfs/dbraw/zinc/38/67/88/359386788.db2.gz PVWBWBUUBZOVJB-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)c1occc1C[N@H+]1CC=CCC1 ZINC000611517154 359386798 /nfs/dbraw/zinc/38/67/98/359386798.db2.gz DCUXXDSRGXNVRH-UHFFFAOYSA-N 1 2 221.256 1.828 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1CC=CCC1 ZINC000611517154 359386799 /nfs/dbraw/zinc/38/67/99/359386799.db2.gz DCUXXDSRGXNVRH-UHFFFAOYSA-N 1 2 221.256 1.828 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000279769125 359528489 /nfs/dbraw/zinc/52/84/89/359528489.db2.gz MWJBWCKBOFQJCX-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1O ZINC000279769125 359528494 /nfs/dbraw/zinc/52/84/94/359528494.db2.gz MWJBWCKBOFQJCX-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](NCC[NH+]1CCC1)c1cscn1 ZINC000379650476 359573976 /nfs/dbraw/zinc/57/39/76/359573976.db2.gz DYDLWZIVOOCCHT-SECBINFHSA-N 1 2 211.334 1.499 20 0 BDADLO CSCCNC(=O)Nc1cc[nH+]cc1C ZINC000121990588 359640434 /nfs/dbraw/zinc/64/04/34/359640434.db2.gz NKGGIFLHFSVNPQ-UHFFFAOYSA-N 1 2 225.317 1.875 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCCO1 ZINC000613840342 363663930 /nfs/dbraw/zinc/66/39/30/363663930.db2.gz NKCXJYAFXOKBEO-VIFPVBQESA-N 1 2 235.287 1.069 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCCO1 ZINC000613840342 363663938 /nfs/dbraw/zinc/66/39/38/363663938.db2.gz NKCXJYAFXOKBEO-VIFPVBQESA-N 1 2 235.287 1.069 20 0 BDADLO Cc1nc(N2CC(C)(CO)C2)c2c([nH+]1)CCCC2 ZINC000450799963 202269661 /nfs/dbraw/zinc/26/96/61/202269661.db2.gz UKSMPYBCHSBPSL-UHFFFAOYSA-N 1 2 247.342 1.482 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)Nc1nccc(OC)n1 ZINC000450828033 202277489 /nfs/dbraw/zinc/27/74/89/202277489.db2.gz JCDQOPZHGNRAMP-VIFPVBQESA-N 1 2 247.302 1.875 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450899009 202302897 /nfs/dbraw/zinc/30/28/97/202302897.db2.gz CSDWKMQIGHOVJC-DTWKUNHWSA-N 1 2 243.282 1.703 20 0 BDADLO C[C@H](F)CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450899009 202302900 /nfs/dbraw/zinc/30/29/00/202302900.db2.gz CSDWKMQIGHOVJC-DTWKUNHWSA-N 1 2 243.282 1.703 20 0 BDADLO CC(C)(O)C(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000450900205 202304388 /nfs/dbraw/zinc/30/43/88/202304388.db2.gz YCTPGFOGSDINDI-UHFFFAOYSA-N 1 2 249.358 1.985 20 0 BDADLO OCCC[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000450951572 202319162 /nfs/dbraw/zinc/31/91/62/202319162.db2.gz GIADBJRFFPTSFT-NSHDSACASA-N 1 2 206.289 1.680 20 0 BDADLO O=C(NC1CC=CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612373109 359810882 /nfs/dbraw/zinc/81/08/82/359810882.db2.gz UMDIGGIPJNBPDH-VIFPVBQESA-N 1 2 231.299 1.349 20 0 BDADLO O=C(NC1CC=CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612373109 359810883 /nfs/dbraw/zinc/81/08/83/359810883.db2.gz UMDIGGIPJNBPDH-VIFPVBQESA-N 1 2 231.299 1.349 20 0 BDADLO COC(=O)C1(C[N@@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000450989736 202330376 /nfs/dbraw/zinc/33/03/76/202330376.db2.gz GOPVFWWNCUVRFH-MRVPVSSYSA-N 1 2 233.258 1.669 20 0 BDADLO COC(=O)C1(C[N@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000450989736 202330379 /nfs/dbraw/zinc/33/03/79/202330379.db2.gz GOPVFWWNCUVRFH-MRVPVSSYSA-N 1 2 233.258 1.669 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612405693 359832329 /nfs/dbraw/zinc/83/23/29/359832329.db2.gz DOGXOYRCVTUAIJ-SECBINFHSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612405693 359832335 /nfs/dbraw/zinc/83/23/35/359832335.db2.gz DOGXOYRCVTUAIJ-SECBINFHSA-N 1 2 245.326 1.573 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451120895 202356667 /nfs/dbraw/zinc/35/66/67/202356667.db2.gz MEOZLQASGFAGAR-LLVKDONJSA-N 1 2 216.300 1.337 20 0 BDADLO CCCNC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451120895 202356671 /nfs/dbraw/zinc/35/66/71/202356671.db2.gz MEOZLQASGFAGAR-LLVKDONJSA-N 1 2 216.300 1.337 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451188709 202372483 /nfs/dbraw/zinc/37/24/83/202372483.db2.gz OJJWUEOYYRDTMH-VHSXEESVSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451188709 202372485 /nfs/dbraw/zinc/37/24/85/202372485.db2.gz OJJWUEOYYRDTMH-VHSXEESVSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)CC(C)(C)CO ZINC000451257299 202389280 /nfs/dbraw/zinc/38/92/80/202389280.db2.gz VCAWUKKWALNWOB-QMMMGPOBSA-N 1 2 229.349 1.549 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)CC(C)(C)CO ZINC000451257299 202389283 /nfs/dbraw/zinc/38/92/83/202389283.db2.gz VCAWUKKWALNWOB-QMMMGPOBSA-N 1 2 229.349 1.549 20 0 BDADLO CCC1([NH2+]Cc2n[nH]c(=O)[nH]2)CCCC1 ZINC000451276274 202392658 /nfs/dbraw/zinc/39/26/58/202392658.db2.gz OGLZUFKBXKHJNS-UHFFFAOYSA-N 1 2 210.281 1.323 20 0 BDADLO CC(C)(C(=O)N1C[C@@H]2C[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000628516315 359940156 /nfs/dbraw/zinc/94/01/56/359940156.db2.gz WUDGIOKXYYJHEG-DTORHVGOSA-N 1 2 219.288 1.166 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2cc[nH]c21 ZINC000088732224 359973553 /nfs/dbraw/zinc/97/35/53/359973553.db2.gz SDQMQHIUUDOTTF-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1Cc2ccccc2O1 ZINC000088759271 359977038 /nfs/dbraw/zinc/97/70/38/359977038.db2.gz CZVJEQBOISCOOL-LBPRGKRZSA-N 1 2 243.266 1.030 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1Cc2ccccc2O1 ZINC000088759271 359977042 /nfs/dbraw/zinc/97/70/42/359977042.db2.gz CZVJEQBOISCOOL-LBPRGKRZSA-N 1 2 243.266 1.030 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc(F)ccc1F ZINC000088759396 359977103 /nfs/dbraw/zinc/97/71/03/359977103.db2.gz ARDTWSWOXHAFBU-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc(F)ccc1F ZINC000088759396 359977105 /nfs/dbraw/zinc/97/71/05/359977105.db2.gz ARDTWSWOXHAFBU-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000091008171 360098276 /nfs/dbraw/zinc/09/82/76/360098276.db2.gz VOXOKBSSAZPAFN-JQWIXIFHSA-N 1 2 238.331 1.702 20 0 BDADLO CCCN(CC(=O)OCC)Cc1c[nH+]cn1C ZINC000090233446 360067126 /nfs/dbraw/zinc/06/71/26/360067126.db2.gz QHXKGKYFUIONSO-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090876782 360091284 /nfs/dbraw/zinc/09/12/84/360091284.db2.gz LFANSRWIDDHQFG-LBPRGKRZSA-N 1 2 249.310 1.485 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090876782 360091286 /nfs/dbraw/zinc/09/12/86/360091286.db2.gz LFANSRWIDDHQFG-LBPRGKRZSA-N 1 2 249.310 1.485 20 0 BDADLO CCn1cc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000093509937 360254731 /nfs/dbraw/zinc/25/47/31/360254731.db2.gz LHVYNGYWBPHDAQ-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000093509937 360254734 /nfs/dbraw/zinc/25/47/34/360254734.db2.gz LHVYNGYWBPHDAQ-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000093101733 360218004 /nfs/dbraw/zinc/21/80/04/360218004.db2.gz JJNSUYMCRSVBGN-ZYHUDNBSSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000093101733 360218007 /nfs/dbraw/zinc/21/80/07/360218007.db2.gz JJNSUYMCRSVBGN-ZYHUDNBSSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cscn2)C[C@@H]1O ZINC000093333907 360232429 /nfs/dbraw/zinc/23/24/29/360232429.db2.gz AXWZVOQXJJAXTR-SCZZXKLOSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1O ZINC000093333907 360232430 /nfs/dbraw/zinc/23/24/30/360232430.db2.gz AXWZVOQXJJAXTR-SCZZXKLOSA-N 1 2 212.318 1.346 20 0 BDADLO CC1=CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612997042 360250227 /nfs/dbraw/zinc/25/02/27/360250227.db2.gz NEMCLIZKSQVVIW-NSHDSACASA-N 1 2 245.326 1.693 20 0 BDADLO CC1=CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612997042 360250232 /nfs/dbraw/zinc/25/02/32/360250232.db2.gz NEMCLIZKSQVVIW-NSHDSACASA-N 1 2 245.326 1.693 20 0 BDADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cnc[nH]1 ZINC000093686641 360271038 /nfs/dbraw/zinc/27/10/38/360271038.db2.gz NQJHPXJKCDGSOD-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cnc[nH]1 ZINC000093686641 360271045 /nfs/dbraw/zinc/27/10/45/360271045.db2.gz NQJHPXJKCDGSOD-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCCCC1 ZINC000096643165 360351433 /nfs/dbraw/zinc/35/14/33/360351433.db2.gz HFOMJAJSSHQERE-LBPRGKRZSA-N 1 2 247.342 1.848 20 0 BDADLO CCc1cc(NCCOC(F)(F)F)nc[nH+]1 ZINC000309453253 491148554 /nfs/dbraw/zinc/14/85/54/491148554.db2.gz LRKJXRPKFBLJHT-UHFFFAOYSA-N 1 2 235.209 1.987 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000633719190 360356825 /nfs/dbraw/zinc/35/68/25/360356825.db2.gz AGAPWRPZAKTWBA-SECBINFHSA-N 1 2 239.294 1.310 20 0 BDADLO C/C=C/CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000623477823 360431624 /nfs/dbraw/zinc/43/16/24/360431624.db2.gz TXVLBLWZCPJJJS-FSIBCCDJSA-N 1 2 222.292 1.147 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1CC=CC1 ZINC000628542482 360549180 /nfs/dbraw/zinc/54/91/80/360549180.db2.gz NZKRFLWNXYVPJQ-UHFFFAOYSA-N 1 2 219.288 1.425 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1CC=CC1 ZINC000628542482 360549183 /nfs/dbraw/zinc/54/91/83/360549183.db2.gz NZKRFLWNXYVPJQ-UHFFFAOYSA-N 1 2 219.288 1.425 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N(C1CC1)C1CC1 ZINC000628815683 360667952 /nfs/dbraw/zinc/66/79/52/360667952.db2.gz VQRQDPUWOJJLLA-UHFFFAOYSA-N 1 2 219.288 1.116 20 0 BDADLO CCC(F)(F)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000628844667 360700488 /nfs/dbraw/zinc/70/04/88/360700488.db2.gz WYBNHLFYBGSWST-UHFFFAOYSA-N 1 2 217.219 1.493 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@]12C[C@@H]1CCCC2 ZINC000634088146 360906033 /nfs/dbraw/zinc/90/60/33/360906033.db2.gz XKVFXJFCHPCSGV-JQWIXIFHSA-N 1 2 219.288 1.332 20 0 BDADLO CCc1cc(NC[C@@H](CO)C(C)C)nc[nH+]1 ZINC000309655525 491153746 /nfs/dbraw/zinc/15/37/46/491153746.db2.gz PPFAWBUVXQEXBO-JTQLQIEISA-N 1 2 223.320 1.715 20 0 BDADLO O=C(Nc1ccccn1)N1CCc2[nH]c[nH+]c2C1 ZINC000629472682 361085924 /nfs/dbraw/zinc/08/59/24/361085924.db2.gz ILEFFRTXXDWCEP-UHFFFAOYSA-N 1 2 243.270 1.395 20 0 BDADLO O=C(Nc1ccccn1)N1CCc2[nH+]c[nH]c2C1 ZINC000629472682 361085926 /nfs/dbraw/zinc/08/59/26/361085926.db2.gz ILEFFRTXXDWCEP-UHFFFAOYSA-N 1 2 243.270 1.395 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640476099 361250457 /nfs/dbraw/zinc/25/04/57/361250457.db2.gz KHOIBZMGRUGOSV-JWKOBGCHSA-N 1 2 235.287 1.075 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640476099 361250461 /nfs/dbraw/zinc/25/04/61/361250461.db2.gz KHOIBZMGRUGOSV-JWKOBGCHSA-N 1 2 235.287 1.075 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640476918 361251016 /nfs/dbraw/zinc/25/10/16/361251016.db2.gz QDPLLBROYVYDEY-JQWIXIFHSA-N 1 2 221.304 1.031 20 0 BDADLO CC(C)n1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640476918 361251019 /nfs/dbraw/zinc/25/10/19/361251019.db2.gz QDPLLBROYVYDEY-JQWIXIFHSA-N 1 2 221.304 1.031 20 0 BDADLO CSC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579000635 366691533 /nfs/dbraw/zinc/69/15/33/366691533.db2.gz DONZVAHBAKLKPT-BDAKNGLRSA-N 1 2 241.360 1.456 20 0 BDADLO CSC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579000635 366691538 /nfs/dbraw/zinc/69/15/38/366691538.db2.gz DONZVAHBAKLKPT-BDAKNGLRSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000640480438 361262694 /nfs/dbraw/zinc/26/26/94/361262694.db2.gz KFBBBQUHQNYRFF-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000640485982 361269839 /nfs/dbraw/zinc/26/98/39/361269839.db2.gz KKZCZICIPXPNJT-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)no1 ZINC000640485982 361269842 /nfs/dbraw/zinc/26/98/42/361269842.db2.gz KKZCZICIPXPNJT-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1conc1C ZINC000640486614 361272405 /nfs/dbraw/zinc/27/24/05/361272405.db2.gz SAVHPBXTJJTVJN-LLVKDONJSA-N 1 2 237.303 1.796 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1conc1C ZINC000640486614 361272408 /nfs/dbraw/zinc/27/24/08/361272408.db2.gz SAVHPBXTJJTVJN-LLVKDONJSA-N 1 2 237.303 1.796 20 0 BDADLO C[C@@H]1CC2(CCC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000579025847 366698974 /nfs/dbraw/zinc/69/89/74/366698974.db2.gz HNLVGMBMVLKGKF-LLVKDONJSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000428249390 201004468 /nfs/dbraw/zinc/00/44/68/201004468.db2.gz SSRSYCKBYZCADX-CMPLNLGQSA-N 1 2 248.330 1.009 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)cn1 ZINC000428249390 201004470 /nfs/dbraw/zinc/00/44/70/201004470.db2.gz SSRSYCKBYZCADX-CMPLNLGQSA-N 1 2 248.330 1.009 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)ncn1 ZINC000428393232 201011537 /nfs/dbraw/zinc/01/15/37/201011537.db2.gz NDPAWQFIBWCBLF-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)ncn1 ZINC000428393232 201011540 /nfs/dbraw/zinc/01/15/40/201011540.db2.gz NDPAWQFIBWCBLF-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](OCC(C)C)C2)[nH]1 ZINC000428397955 201013969 /nfs/dbraw/zinc/01/39/69/201013969.db2.gz GNCXUCNRKCSACQ-NSHDSACASA-N 1 2 238.335 1.360 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](OCC(C)C)C2)[nH]1 ZINC000428397955 201013971 /nfs/dbraw/zinc/01/39/71/201013971.db2.gz GNCXUCNRKCSACQ-NSHDSACASA-N 1 2 238.335 1.360 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000248966135 325629808 /nfs/dbraw/zinc/62/98/08/325629808.db2.gz BQTSKHRQDPQHBM-DCAQKATOSA-N 1 2 231.336 1.467 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)ncn1 ZINC000428435957 201015848 /nfs/dbraw/zinc/01/58/48/201015848.db2.gz BIZLQAFYUNNPSN-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)ncn1 ZINC000428435957 201015849 /nfs/dbraw/zinc/01/58/49/201015849.db2.gz BIZLQAFYUNNPSN-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2CCO)[nH]1 ZINC000428439618 201018157 /nfs/dbraw/zinc/01/81/57/201018157.db2.gz METJMHRJKUTZAA-JTQLQIEISA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H]2CCO)[nH]1 ZINC000428439618 201018161 /nfs/dbraw/zinc/01/81/61/201018161.db2.gz METJMHRJKUTZAA-JTQLQIEISA-N 1 2 238.335 1.275 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000428456387 201019439 /nfs/dbraw/zinc/01/94/39/201019439.db2.gz VHZBJSXZHJOETB-LLVKDONJSA-N 1 2 235.331 1.957 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCOC(C)(C)C2)cn1 ZINC000428456387 201019441 /nfs/dbraw/zinc/01/94/41/201019441.db2.gz VHZBJSXZHJOETB-LLVKDONJSA-N 1 2 235.331 1.957 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cn1 ZINC000428461711 201019844 /nfs/dbraw/zinc/01/98/44/201019844.db2.gz IXSXYKNMNULFHO-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cn1 ZINC000428461711 201019846 /nfs/dbraw/zinc/01/98/46/201019846.db2.gz IXSXYKNMNULFHO-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[S@](=O)CC2)nc[nH+]1 ZINC000428664147 201032338 /nfs/dbraw/zinc/03/23/38/201032338.db2.gz AKOFUFNCWJRXAE-QLJPJBMISA-N 1 2 239.344 1.132 20 0 BDADLO CCOC1(C)CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000428744690 201039914 /nfs/dbraw/zinc/03/99/14/201039914.db2.gz NSTWAEIZQPXUCB-UHFFFAOYSA-N 1 2 238.335 1.504 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC(=O)CC12CCC2 ZINC000579247786 366747030 /nfs/dbraw/zinc/74/70/30/366747030.db2.gz VJGOERTTZIOGKJ-UHFFFAOYSA-N 1 2 238.331 1.052 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC(=O)CC12CCC2 ZINC000579247786 366747034 /nfs/dbraw/zinc/74/70/34/366747034.db2.gz VJGOERTTZIOGKJ-UHFFFAOYSA-N 1 2 238.331 1.052 20 0 BDADLO COCc1noc(C[N@H+](C)C(C)(C)COC)n1 ZINC000429271458 201083762 /nfs/dbraw/zinc/08/37/62/201083762.db2.gz KYDOIBXXSWGMIM-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO COCc1noc(C[N@@H+](C)C(C)(C)COC)n1 ZINC000429271458 201083764 /nfs/dbraw/zinc/08/37/64/201083764.db2.gz KYDOIBXXSWGMIM-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1nc(C)cs1 ZINC000429297279 201096667 /nfs/dbraw/zinc/09/66/67/201096667.db2.gz TXVPNXNWRQARTN-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1nc(C)cs1 ZINC000429297279 201096670 /nfs/dbraw/zinc/09/66/70/201096670.db2.gz TXVPNXNWRQARTN-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1noc(C)n1)[C@H]1CCCO1 ZINC000429685118 201125752 /nfs/dbraw/zinc/12/57/52/201125752.db2.gz NWBRZBTZCJVOHU-DVVUODLYSA-N 1 2 239.319 1.986 20 0 BDADLO Cc1nnc(NCc2c[nH+]c3c(C)cccn23)o1 ZINC000181491456 366815444 /nfs/dbraw/zinc/81/54/44/366815444.db2.gz PCVABYSDVFGBOR-UHFFFAOYSA-N 1 2 243.270 1.946 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2ccccc2)c1 ZINC000170209174 361481013 /nfs/dbraw/zinc/48/10/13/361481013.db2.gz WWTRKGXWJAOSTK-UHFFFAOYSA-N 1 2 229.283 1.393 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000433206374 201169626 /nfs/dbraw/zinc/16/96/26/201169626.db2.gz HLWUAVURKOPCBO-NSHDSACASA-N 1 2 240.351 1.308 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000433206374 201169630 /nfs/dbraw/zinc/16/96/30/201169630.db2.gz HLWUAVURKOPCBO-NSHDSACASA-N 1 2 240.351 1.308 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](SC)C2)no1 ZINC000448546219 201197595 /nfs/dbraw/zinc/19/75/95/201197595.db2.gz YAGWIDMFZNZZKA-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](SC)C2)no1 ZINC000448546219 201197597 /nfs/dbraw/zinc/19/75/97/201197597.db2.gz YAGWIDMFZNZZKA-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000433950493 201200934 /nfs/dbraw/zinc/20/09/34/201200934.db2.gz AQFJBZWLVVJUKE-USWWRNFRSA-N 1 2 233.315 1.434 20 0 BDADLO COC1(C[NH2+]CC(F)(F)CN)CCCC1 ZINC000629649043 361543186 /nfs/dbraw/zinc/54/31/86/361543186.db2.gz GFLSCFZDAZRCKV-UHFFFAOYSA-N 1 2 222.279 1.129 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2ccccn2)[nH+]1 ZINC000433779025 201193379 /nfs/dbraw/zinc/19/33/79/201193379.db2.gz FJQZDJRRAYAMMN-UHFFFAOYSA-N 1 2 239.282 1.695 20 0 BDADLO Cc1noc([C@H]([NH3+])[C@H](C)OCc2ccccc2)n1 ZINC000629677186 361599266 /nfs/dbraw/zinc/59/92/66/361599266.db2.gz VOKWGBPBBBZFLX-JOYOIKCWSA-N 1 2 247.298 1.983 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000434486310 201221700 /nfs/dbraw/zinc/22/17/00/201221700.db2.gz QCTAXNPQGNOMON-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000434486310 201221704 /nfs/dbraw/zinc/22/17/04/201221704.db2.gz QCTAXNPQGNOMON-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@H]1CCOC1 ZINC000434539586 201226365 /nfs/dbraw/zinc/22/63/65/201226365.db2.gz HNVSYQCKXKMDRM-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000434539586 201226368 /nfs/dbraw/zinc/22/63/68/201226368.db2.gz HNVSYQCKXKMDRM-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000448556654 201263199 /nfs/dbraw/zinc/26/31/99/201263199.db2.gz QFPCCQHLBKHNFA-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000448556654 201263203 /nfs/dbraw/zinc/26/32/03/201263203.db2.gz QFPCCQHLBKHNFA-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000154301142 201273585 /nfs/dbraw/zinc/27/35/85/201273585.db2.gz OWODHMLXHACXDR-DTWKUNHWSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1nsc(N(C)C)n1 ZINC000154301142 201273588 /nfs/dbraw/zinc/27/35/88/201273588.db2.gz OWODHMLXHACXDR-DTWKUNHWSA-N 1 2 240.376 1.834 20 0 BDADLO Cc1nc(N2CC(OC(F)F)C2)c(C)c(C)[nH+]1 ZINC000435598676 201276652 /nfs/dbraw/zinc/27/66/52/201276652.db2.gz PJQCXNYGULDNGU-UHFFFAOYSA-N 1 2 243.257 1.830 20 0 BDADLO Cc1cc(N2CC(OC(F)F)C2)nc[nH+]1 ZINC000435601270 201279336 /nfs/dbraw/zinc/27/93/36/201279336.db2.gz LCJPZJBBBAIJCH-UHFFFAOYSA-N 1 2 215.203 1.213 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000435957258 201303915 /nfs/dbraw/zinc/30/39/15/201303915.db2.gz JAJZBOJRVDLFRQ-WCFLWFBJSA-N 1 2 245.326 1.360 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000436041389 201306235 /nfs/dbraw/zinc/30/62/35/201306235.db2.gz CXVZFAMVOQBFMH-IJLUTSLNSA-N 1 2 240.347 1.012 20 0 BDADLO CNc1ccc(-c2cnn(C)c2C)c[nH+]1 ZINC000629730365 361669846 /nfs/dbraw/zinc/66/98/46/361669846.db2.gz IAYSNBXRKNKKDI-UHFFFAOYSA-N 1 2 202.261 1.254 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000437049451 201342911 /nfs/dbraw/zinc/34/29/11/201342911.db2.gz YHQHWEDUIZHRTL-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CCN1CC[C@H]([NH2+]Cc2cscn2)C1 ZINC000328267814 363871335 /nfs/dbraw/zinc/87/13/35/363871335.db2.gz OTFYXBUMTYZDQJ-VIFPVBQESA-N 1 2 211.334 1.327 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)COC(F)F ZINC000622083636 370699180 /nfs/dbraw/zinc/69/91/80/370699180.db2.gz JHFFORQUPSKKOP-ZETCQYMHSA-N 1 2 247.245 1.319 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)C1CC1 ZINC000622131953 370727267 /nfs/dbraw/zinc/72/72/67/370727267.db2.gz BKDOSYIBNSGQON-UHFFFAOYSA-N 1 2 221.304 1.267 20 0 BDADLO CC[C@H](C(=O)N[C@H](C)c1[nH+]ccn1C)[C@@H](C)O ZINC000622181714 370751535 /nfs/dbraw/zinc/75/15/35/370751535.db2.gz GCHWDMFVUSPHIO-BBBLOLIVSA-N 1 2 239.319 1.004 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000452764044 202648979 /nfs/dbraw/zinc/64/89/79/202648979.db2.gz HRDHWQVTCXBZDG-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068255969 370766278 /nfs/dbraw/zinc/76/62/78/370766278.db2.gz APVPLSFSYPEBIZ-FZMZJTMJSA-N 1 2 244.338 1.774 20 0 BDADLO C[C@@H]1CC[C@@H](n2cc([C@H]3COCC[NH2+]3)nn2)C1 ZINC000630604620 364328549 /nfs/dbraw/zinc/32/85/49/364328549.db2.gz UUKMUVYGNIXAMC-CKYFFXLPSA-N 1 2 236.319 1.300 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000170806562 364287364 /nfs/dbraw/zinc/28/73/64/364287364.db2.gz OLDHUPVBTDSJDJ-GHMZBOCLSA-N 1 2 248.330 1.591 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000615039103 364405212 /nfs/dbraw/zinc/40/52/12/364405212.db2.gz DNYIEAKCTXPQDL-PWSUYJOCSA-N 1 2 249.314 1.040 20 0 BDADLO CN(C(=O)C[N@H+](C)Cc1cccc(O)c1)C1CC1 ZINC000080919595 364508787 /nfs/dbraw/zinc/50/87/87/364508787.db2.gz CBBFATLFFNRPPO-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO CN(C(=O)C[N@@H+](C)Cc1cccc(O)c1)C1CC1 ZINC000080919595 364508789 /nfs/dbraw/zinc/50/87/89/364508789.db2.gz CBBFATLFFNRPPO-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO O=C(NCCCCF)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615102028 364493783 /nfs/dbraw/zinc/49/37/83/364493783.db2.gz CPFAWCBNGKOJHM-VIFPVBQESA-N 1 2 239.294 1.381 20 0 BDADLO O=C(NCCCCF)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615102028 364493791 /nfs/dbraw/zinc/49/37/91/364493791.db2.gz CPFAWCBNGKOJHM-VIFPVBQESA-N 1 2 239.294 1.381 20 0 BDADLO CCCn1ncnc1C[NH+]1CCC(OC)CC1 ZINC000579552996 366865875 /nfs/dbraw/zinc/86/58/75/366865875.db2.gz HRIHKXOOFUMOCW-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000615157376 364547973 /nfs/dbraw/zinc/54/79/73/364547973.db2.gz CWENIDVEISYHKW-BBBLOLIVSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1[nH]cc[nH+]1 ZINC000615158261 364551507 /nfs/dbraw/zinc/55/15/07/364551507.db2.gz LOXCFJMDXALSKI-IMSYWVGJSA-N 1 2 219.288 1.633 20 0 BDADLO CC1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000622237411 370782538 /nfs/dbraw/zinc/78/25/38/370782538.db2.gz ASOHOAHBHJLQMS-MCIGGMRASA-N 1 2 247.342 1.608 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CCCOC2)o1 ZINC000551980112 364608924 /nfs/dbraw/zinc/60/89/24/364608924.db2.gz VRHFSHWEMZYERH-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CCCOC2)o1 ZINC000551980112 364608930 /nfs/dbraw/zinc/60/89/30/364608930.db2.gz VRHFSHWEMZYERH-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO COc1ncc(COc2cc[nH+]cc2)c(C)n1 ZINC000555720164 364695595 /nfs/dbraw/zinc/69/55/95/364695595.db2.gz XTXBTWDNFDVCFQ-UHFFFAOYSA-N 1 2 231.255 1.768 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615354436 364711466 /nfs/dbraw/zinc/71/14/66/364711466.db2.gz OUEHEUNKYCACFN-DTWKUNHWSA-N 1 2 239.294 1.379 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615354436 364711470 /nfs/dbraw/zinc/71/14/70/364711470.db2.gz OUEHEUNKYCACFN-DTWKUNHWSA-N 1 2 239.294 1.379 20 0 BDADLO COc1cc(C[NH2+]Cc2cnc(C)o2)sn1 ZINC000399022193 364726697 /nfs/dbraw/zinc/72/66/97/364726697.db2.gz FLUWHRUZUWEUEM-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO Cc1cn2cc(NC(=O)CCCCO)ccc2[nH+]1 ZINC000630884155 364751081 /nfs/dbraw/zinc/75/10/81/364751081.db2.gz AWWUJIJJOUNHQQ-UHFFFAOYSA-N 1 2 247.298 1.744 20 0 BDADLO CCc1[nH]ccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000573501522 364850075 /nfs/dbraw/zinc/85/00/75/364850075.db2.gz SIYKJMZSYROOEH-UHFFFAOYSA-N 1 2 246.314 1.283 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC1(C)C ZINC000573384862 364819486 /nfs/dbraw/zinc/81/94/86/364819486.db2.gz ICQIOMWZGJVDPX-MWLCHTKSSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC1(C)C ZINC000573384862 364819491 /nfs/dbraw/zinc/81/94/91/364819491.db2.gz ICQIOMWZGJVDPX-MWLCHTKSSA-N 1 2 235.331 1.845 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C1CC1)C1CCC1 ZINC000573923769 364948037 /nfs/dbraw/zinc/94/80/37/364948037.db2.gz XBJLGDMJJFONBC-AWEZNQCLSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C1CC1)C1CCC1 ZINC000573923769 364948041 /nfs/dbraw/zinc/94/80/41/364948041.db2.gz XBJLGDMJJFONBC-AWEZNQCLSA-N 1 2 247.342 1.956 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCCC2 ZINC000336015206 541424582 /nfs/dbraw/zinc/42/45/82/541424582.db2.gz MNCCVKFGHKLJMY-NSHDSACASA-N 1 2 233.315 1.617 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000574162309 364999720 /nfs/dbraw/zinc/99/97/20/364999720.db2.gz VXKXMBOXKVWCLF-ZYHUDNBSSA-N 1 2 235.331 1.513 20 0 BDADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1nc(C)[nH+]cc1C ZINC000574171354 365002514 /nfs/dbraw/zinc/00/25/14/365002514.db2.gz WEOVYYFGYSUEBD-QWRGUYRKSA-N 1 2 248.330 1.420 20 0 BDADLO COCCC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000574206334 365010628 /nfs/dbraw/zinc/01/06/28/365010628.db2.gz FAQOYBINJBZWDM-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC(C)C3)ccn12 ZINC000574218087 365013531 /nfs/dbraw/zinc/01/35/31/365013531.db2.gz XMMMMYAKZRGIGR-UHFFFAOYSA-N 1 2 229.283 1.735 20 0 BDADLO Cc1cc(SC[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC000574396311 365052941 /nfs/dbraw/zinc/05/29/41/365052941.db2.gz PVRSUSJFFSLQRO-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cc1cc(SC[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC000574396311 365052944 /nfs/dbraw/zinc/05/29/44/365052944.db2.gz PVRSUSJFFSLQRO-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO CC[C@@H]1CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574329186 365037920 /nfs/dbraw/zinc/03/79/20/365037920.db2.gz BBCIXHYEVMWDEW-WDEREUQCSA-N 1 2 221.304 1.845 20 0 BDADLO CN(c1cc(NC2CC2)[nH+]cn1)C1CC(O)C1 ZINC000574619179 365102511 /nfs/dbraw/zinc/10/25/11/365102511.db2.gz MAJDQQYYFBHLCF-UHFFFAOYSA-N 1 2 234.303 1.010 20 0 BDADLO CN(c1cc(NC2CC2)nc[nH+]1)C1CC(O)C1 ZINC000574619179 365102515 /nfs/dbraw/zinc/10/25/15/365102515.db2.gz MAJDQQYYFBHLCF-UHFFFAOYSA-N 1 2 234.303 1.010 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](Cc1cnccn1)CC2 ZINC000574656531 365116580 /nfs/dbraw/zinc/11/65/80/365116580.db2.gz NQBWCTNSKFBWLG-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](Cc1cnccn1)CC2 ZINC000574656531 365116589 /nfs/dbraw/zinc/11/65/89/365116589.db2.gz NQBWCTNSKFBWLG-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO O[C@H]1CCC[C@@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000574500269 365075632 /nfs/dbraw/zinc/07/56/32/365075632.db2.gz JPPUJSMBAHODQK-KOLCDFICSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H]1CCC[C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000574500269 365075641 /nfs/dbraw/zinc/07/56/41/365075641.db2.gz JPPUJSMBAHODQK-KOLCDFICSA-N 1 2 248.330 1.624 20 0 BDADLO Cc1[nH]c(C(=O)NCC2CC(C)C2)c[nH+]1 ZINC000622240265 370789754 /nfs/dbraw/zinc/78/97/54/370789754.db2.gz INLXHDGWMBRTQX-UHFFFAOYSA-N 1 2 207.277 1.494 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cncc(C)c1 ZINC000442906435 193003706 /nfs/dbraw/zinc/00/37/06/193003706.db2.gz VUUCBXNTTZMRRV-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cncc(C)c1 ZINC000442906435 193003708 /nfs/dbraw/zinc/00/37/08/193003708.db2.gz VUUCBXNTTZMRRV-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CCC(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171193478 365178177 /nfs/dbraw/zinc/17/81/77/365178177.db2.gz QCWVZJJAKYKFLR-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+](Cc1ccc(Cl)o1)[C@H]1CCNC1=O ZINC000442964934 193008062 /nfs/dbraw/zinc/00/80/62/193008062.db2.gz JXEDKWYXUHHLJC-VIFPVBQESA-N 1 2 242.706 1.643 20 0 BDADLO CC[N@@H+](Cc1ccc(Cl)o1)[C@H]1CCNC1=O ZINC000442964934 193008065 /nfs/dbraw/zinc/00/80/65/193008065.db2.gz JXEDKWYXUHHLJC-VIFPVBQESA-N 1 2 242.706 1.643 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cn1 ZINC000443066848 193012030 /nfs/dbraw/zinc/01/20/30/193012030.db2.gz IHENLGFDFLRZBN-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cn1 ZINC000443066848 193012032 /nfs/dbraw/zinc/01/20/32/193012032.db2.gz IHENLGFDFLRZBN-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCOC(C)(C)C ZINC000080658125 370805639 /nfs/dbraw/zinc/80/56/39/370805639.db2.gz NEYYFRVQQAMBCL-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCOC(C)(C)C ZINC000080658125 370805642 /nfs/dbraw/zinc/80/56/42/370805642.db2.gz NEYYFRVQQAMBCL-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)on1 ZINC000575136845 365218559 /nfs/dbraw/zinc/21/85/59/365218559.db2.gz LTJYIVOWDGEZNR-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccsn1 ZINC000622274579 370814874 /nfs/dbraw/zinc/81/48/74/370814874.db2.gz PNJVOCSSGSUNQF-UHFFFAOYSA-N 1 2 236.300 1.160 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2[nH+]ccn2C)CC1 ZINC000575186919 365235071 /nfs/dbraw/zinc/23/50/71/365235071.db2.gz ZUBOGVHGTJAGIY-XYPYZODXSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cn(C)nc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000575346542 365296743 /nfs/dbraw/zinc/29/67/43/365296743.db2.gz JRMSDGDPBCFAOQ-UHFFFAOYSA-N 1 2 244.298 1.415 20 0 BDADLO COC(=O)C[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000172433303 365324493 /nfs/dbraw/zinc/32/44/93/365324493.db2.gz HSFZVRZVZIMVCP-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO COC(=O)C[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000172433303 365324497 /nfs/dbraw/zinc/32/44/97/365324497.db2.gz HSFZVRZVZIMVCP-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CSC[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000575759627 365355940 /nfs/dbraw/zinc/35/59/40/365355940.db2.gz WDEXZZGOCZUTLA-VIFPVBQESA-N 1 2 230.377 1.196 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182246485 366877654 /nfs/dbraw/zinc/87/76/54/366877654.db2.gz AVFRWMPNPYJARJ-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000172590200 365342934 /nfs/dbraw/zinc/34/29/34/365342934.db2.gz XGVWDKLRYQSWTP-QMMMGPOBSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000172590200 365342937 /nfs/dbraw/zinc/34/29/37/365342937.db2.gz XGVWDKLRYQSWTP-QMMMGPOBSA-N 1 2 239.344 1.884 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nc(COC)no1 ZINC000182382357 366893973 /nfs/dbraw/zinc/89/39/73/366893973.db2.gz MVZGLDWOMOJWGC-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nc(COC)no1 ZINC000182382357 366893975 /nfs/dbraw/zinc/89/39/75/366893975.db2.gz MVZGLDWOMOJWGC-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000182382333 366894135 /nfs/dbraw/zinc/89/41/35/366894135.db2.gz MVZGLDWOMOJWGC-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000182382333 366894137 /nfs/dbraw/zinc/89/41/37/366894137.db2.gz MVZGLDWOMOJWGC-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)n2C)CCS1 ZINC000174367979 365484492 /nfs/dbraw/zinc/48/44/92/365484492.db2.gz QQLXPYZOMVYTOH-SNVBAGLBSA-N 1 2 240.376 1.451 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)n2C)CCS1 ZINC000174367979 365484495 /nfs/dbraw/zinc/48/44/95/365484495.db2.gz QQLXPYZOMVYTOH-SNVBAGLBSA-N 1 2 240.376 1.451 20 0 BDADLO CC(C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672151703 541492509 /nfs/dbraw/zinc/49/25/09/541492509.db2.gz XQFKXQPBLRYUBY-JTQLQIEISA-N 1 2 221.304 1.360 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000383659494 541514609 /nfs/dbraw/zinc/51/46/09/541514609.db2.gz IYANZOJUHMVANG-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000383659494 541514610 /nfs/dbraw/zinc/51/46/10/541514610.db2.gz IYANZOJUHMVANG-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C(F)F)CC1 ZINC000579850931 367043635 /nfs/dbraw/zinc/04/36/35/367043635.db2.gz CDHMKKQUUHQKFW-SSDOTTSWSA-N 1 2 243.257 1.502 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C(F)F)CC1 ZINC000579850931 367043643 /nfs/dbraw/zinc/04/36/43/367043643.db2.gz CDHMKKQUUHQKFW-SSDOTTSWSA-N 1 2 243.257 1.502 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(CO)C2)c(F)c1 ZINC000579966815 367107229 /nfs/dbraw/zinc/10/72/29/367107229.db2.gz XCBOTXQSADKEEA-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000622308065 370837024 /nfs/dbraw/zinc/83/70/24/370837024.db2.gz UOBIGJPAKDWDBN-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000622308065 370837029 /nfs/dbraw/zinc/83/70/29/370837029.db2.gz UOBIGJPAKDWDBN-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C)CCCCC1 ZINC000622324405 370850164 /nfs/dbraw/zinc/85/01/64/370850164.db2.gz OXSMKBTUFJVXDR-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO C[C@H](CC(=O)NCC[C@H](C)F)n1cc[nH+]c1 ZINC000581015561 367236798 /nfs/dbraw/zinc/23/67/98/367236798.db2.gz YHRMIBPNUUJHRT-VHSXEESVSA-N 1 2 227.283 1.699 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1F ZINC000581070619 367252081 /nfs/dbraw/zinc/25/20/81/367252081.db2.gz XVNLVUZBXKWGTK-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1F ZINC000581070619 367252083 /nfs/dbraw/zinc/25/20/83/367252083.db2.gz XVNLVUZBXKWGTK-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000581237643 367303899 /nfs/dbraw/zinc/30/38/99/367303899.db2.gz MYEPUAXFGAGHOL-VWYCJHECSA-N 1 2 247.346 1.268 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000581237643 367303901 /nfs/dbraw/zinc/30/39/01/367303901.db2.gz MYEPUAXFGAGHOL-VWYCJHECSA-N 1 2 247.346 1.268 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(C2CC2)no1 ZINC000581289258 367318543 /nfs/dbraw/zinc/31/85/43/367318543.db2.gz UZYGTBRRCNVWKB-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(C)(C)C(C)(C)O ZINC000565227406 325881460 /nfs/dbraw/zinc/88/14/60/325881460.db2.gz YVURVSHDPWCWGA-UHFFFAOYSA-N 1 2 237.347 1.724 20 0 BDADLO CC[C@@](C)(CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565307315 325894377 /nfs/dbraw/zinc/89/43/77/325894377.db2.gz IVTLJGWDINNWAN-JQWIXIFHSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C)CC(C)(C)O1 ZINC000195515281 367366164 /nfs/dbraw/zinc/36/61/64/367366164.db2.gz RLWKZBOLRUWKEK-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C)CC(C)(C)O1 ZINC000195515281 367366169 /nfs/dbraw/zinc/36/61/69/367366169.db2.gz RLWKZBOLRUWKEK-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C)CC(C)(C)O1 ZINC000195515281 367366174 /nfs/dbraw/zinc/36/61/74/367366174.db2.gz RLWKZBOLRUWKEK-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO CCOCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000581408486 367446117 /nfs/dbraw/zinc/44/61/17/367446117.db2.gz ZEBAYDQGGBXYNH-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO COC[C@@H](C)C[NH2+][C@@H](CC(F)F)C(=O)OC ZINC000381774140 367456413 /nfs/dbraw/zinc/45/64/13/367456413.db2.gz WOOJNJMRZRSBGQ-YUMQZZPRSA-N 1 2 239.262 1.055 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581550462 367581972 /nfs/dbraw/zinc/58/19/72/367581972.db2.gz AJPYWHLWWACCNE-RYUDHWBXSA-N 1 2 249.358 1.854 20 0 BDADLO Cc1cc(NC[C@H](C)CCCO)nc[nH+]1 ZINC000384373209 367686817 /nfs/dbraw/zinc/68/68/17/367686817.db2.gz IXZOPEFKWZDVNJ-SECBINFHSA-N 1 2 209.293 1.027 20 0 BDADLO Cn1ncc(Br)c1Cn1cc[nH+]c1 ZINC000631013015 370891597 /nfs/dbraw/zinc/89/15/97/370891597.db2.gz RJPBXTXXTGTBEL-UHFFFAOYSA-N 1 2 241.092 1.427 20 0 BDADLO COc1cc(CNCC[NH+]2CCCC2)sn1 ZINC000399219625 367908016 /nfs/dbraw/zinc/90/80/16/367908016.db2.gz YAOCSJXPOBSLHV-UHFFFAOYSA-N 1 2 241.360 1.337 20 0 BDADLO Cc1cnc(NCCCCn2cc[nH+]c2)nc1C ZINC000386444552 367974339 /nfs/dbraw/zinc/97/43/39/367974339.db2.gz KXTGYDNCGOSRPL-UHFFFAOYSA-N 1 2 245.330 1.604 20 0 BDADLO Cc1cc(N[C@@H]2CC23CCOCC3)nc[nH+]1 ZINC000387382501 368163925 /nfs/dbraw/zinc/16/39/25/368163925.db2.gz YTSKAJLPLYHERW-SNVBAGLBSA-N 1 2 219.288 1.766 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000615704808 368213719 /nfs/dbraw/zinc/21/37/19/368213719.db2.gz MNGADKLPXZQELI-WPRPVWTQSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000615704808 368213722 /nfs/dbraw/zinc/21/37/22/368213722.db2.gz MNGADKLPXZQELI-WPRPVWTQSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C)C1 ZINC000566446838 326048892 /nfs/dbraw/zinc/04/88/92/326048892.db2.gz PCRWKAYUIOEWFS-HWOCKDDLSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C)C1 ZINC000566446838 326048895 /nfs/dbraw/zinc/04/88/95/326048895.db2.gz PCRWKAYUIOEWFS-HWOCKDDLSA-N 1 2 221.304 1.503 20 0 BDADLO Cc1nocc1CSCC[NH+]1CCOCC1 ZINC000566540488 326062564 /nfs/dbraw/zinc/06/25/64/326062564.db2.gz IQDQGMLXAYBZER-UHFFFAOYSA-N 1 2 242.344 1.548 20 0 BDADLO CC(C)=CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000043481282 368402586 /nfs/dbraw/zinc/40/25/86/368402586.db2.gz TXJIMYCVNSULNU-UHFFFAOYSA-N 1 2 248.326 1.890 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000061759084 368568925 /nfs/dbraw/zinc/56/89/25/368568925.db2.gz IUMOFBPZHKSHLK-NSHDSACASA-N 1 2 238.718 1.790 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000061759084 368568929 /nfs/dbraw/zinc/56/89/29/368568929.db2.gz IUMOFBPZHKSHLK-NSHDSACASA-N 1 2 238.718 1.790 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccncc1C ZINC000567119581 326118999 /nfs/dbraw/zinc/11/89/99/326118999.db2.gz ALDUJXNUAMLPLG-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccncc1C ZINC000567119581 326119001 /nfs/dbraw/zinc/11/90/01/326119001.db2.gz ALDUJXNUAMLPLG-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CC(C)C[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066496901 368651298 /nfs/dbraw/zinc/65/12/98/368651298.db2.gz DDBRDVTUZXTCHC-UHFFFAOYSA-N 1 2 234.303 1.110 20 0 BDADLO CC(C)C[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066496901 368651301 /nfs/dbraw/zinc/65/13/01/368651301.db2.gz DDBRDVTUZXTCHC-UHFFFAOYSA-N 1 2 234.303 1.110 20 0 BDADLO CNC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000067445720 368688812 /nfs/dbraw/zinc/68/88/12/368688812.db2.gz HDRFSQKCBOSFIL-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CNC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000067445720 368688816 /nfs/dbraw/zinc/68/88/16/368688816.db2.gz HDRFSQKCBOSFIL-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccccc1F ZINC000072622103 368775604 /nfs/dbraw/zinc/77/56/04/368775604.db2.gz ZSVFKHKDRGCSOD-UHFFFAOYSA-N 1 2 247.273 1.729 20 0 BDADLO CCn1nc(C)c(C[NH+]2CCN(C)CC2)c1C ZINC000154413312 326143207 /nfs/dbraw/zinc/14/32/07/326143207.db2.gz OVSBYDHCVXAXFE-UHFFFAOYSA-N 1 2 236.363 1.267 20 0 BDADLO c1ccc(NCc2nnc3ccccn32)[nH+]c1 ZINC000069573287 368754318 /nfs/dbraw/zinc/75/43/18/368754318.db2.gz IYOUGEATOLAPOX-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO CCC[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457846916 203112031 /nfs/dbraw/zinc/11/20/31/203112031.db2.gz CHNFGJARJTZPSL-SNVBAGLBSA-N 1 2 223.320 1.515 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCC2CCC2)c1 ZINC000457861627 203113760 /nfs/dbraw/zinc/11/37/60/203113760.db2.gz QCECMOMWHHCFSN-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457865959 203115110 /nfs/dbraw/zinc/11/51/10/203115110.db2.gz IACXJJVLRYPRHC-DGCLKSJQSA-N 1 2 249.358 1.761 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000457866611 203115654 /nfs/dbraw/zinc/11/56/54/203115654.db2.gz IGNZONAHLZNEJJ-LLVKDONJSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H](OC(C)C)C2)c[nH+]1 ZINC000457883690 203116260 /nfs/dbraw/zinc/11/62/60/203116260.db2.gz NJPVTKJERPAUMS-AOOOYVTPSA-N 1 2 237.303 1.404 20 0 BDADLO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000618618339 369187457 /nfs/dbraw/zinc/18/74/57/369187457.db2.gz IGRVEUOYAGPCIO-UWVGGRQHSA-N 1 2 239.271 1.333 20 0 BDADLO CO[C@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619012896 369257414 /nfs/dbraw/zinc/25/74/14/369257414.db2.gz IBOYBNNCZXCVIM-SECBINFHSA-N 1 2 233.271 1.616 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459316244 203255866 /nfs/dbraw/zinc/25/58/66/203255866.db2.gz BCXSMCANYKASHE-UHFFFAOYSA-N 1 2 247.342 1.965 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459316244 203255869 /nfs/dbraw/zinc/25/58/69/203255869.db2.gz BCXSMCANYKASHE-UHFFFAOYSA-N 1 2 247.342 1.965 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459315087 203255935 /nfs/dbraw/zinc/25/59/35/203255935.db2.gz RLXHCMSWBGBCPJ-SECBINFHSA-N 1 2 249.314 1.280 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459315087 203255937 /nfs/dbraw/zinc/25/59/37/203255937.db2.gz RLXHCMSWBGBCPJ-SECBINFHSA-N 1 2 249.314 1.280 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459328865 203259178 /nfs/dbraw/zinc/25/91/78/203259178.db2.gz PDJPFELUGBXBKA-ZDUSSCGKSA-N 1 2 247.342 1.965 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459328865 203259180 /nfs/dbraw/zinc/25/91/80/203259180.db2.gz PDJPFELUGBXBKA-ZDUSSCGKSA-N 1 2 247.342 1.965 20 0 BDADLO COCCOC1C[NH+](Cc2cnccc2C)C1 ZINC000459473727 203287064 /nfs/dbraw/zinc/28/70/64/203287064.db2.gz UZSZNBPUDTYFOU-UHFFFAOYSA-N 1 2 236.315 1.237 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000459484489 203290245 /nfs/dbraw/zinc/29/02/45/203290245.db2.gz CZKRFCZLTGWKCX-JTQLQIEISA-N 1 2 234.299 1.853 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1ncccc1C(=O)OC ZINC000459484489 203290248 /nfs/dbraw/zinc/29/02/48/203290248.db2.gz CZKRFCZLTGWKCX-JTQLQIEISA-N 1 2 234.299 1.853 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H]2C[C@H]2C1 ZINC000619354834 369321610 /nfs/dbraw/zinc/32/16/10/369321610.db2.gz IGURFKAVFZYKGG-JQWIXIFHSA-N 1 2 241.294 1.816 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000623679833 369381671 /nfs/dbraw/zinc/38/16/71/369381671.db2.gz LOBIOKRFSWMBTM-UHFFFAOYSA-N 1 2 244.289 1.678 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000623679861 369381779 /nfs/dbraw/zinc/38/17/79/369381779.db2.gz NAWQUYSUEFTVNF-UHFFFAOYSA-N 1 2 242.269 1.920 20 0 BDADLO OCCC1C[NH+](Cc2c(F)ccc(O)c2F)C1 ZINC000459592084 203308507 /nfs/dbraw/zinc/30/85/07/203308507.db2.gz MNGAOLXFGPKFNO-UHFFFAOYSA-N 1 2 243.253 1.485 20 0 BDADLO COCCCOC1C[NH+](Cc2occc2C)C1 ZINC000459589360 203310275 /nfs/dbraw/zinc/31/02/75/203310275.db2.gz IKEZLCIQTMCNPY-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1CCCC1 ZINC000619433525 369351436 /nfs/dbraw/zinc/35/14/36/369351436.db2.gz DTLGDNCRJRLFRA-QWRGUYRKSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1CCCC1 ZINC000619433525 369351443 /nfs/dbraw/zinc/35/14/43/369351443.db2.gz DTLGDNCRJRLFRA-QWRGUYRKSA-N 1 2 229.295 1.762 20 0 BDADLO CCNC(=O)C1C[NH+](Cc2ccc(Cl)o2)C1 ZINC000459603441 203313780 /nfs/dbraw/zinc/31/37/80/203313780.db2.gz IGYMKZHEGKKFCH-UHFFFAOYSA-N 1 2 242.706 1.501 20 0 BDADLO CCOC1C[NH+](Cc2c(C)nn(CC)c2C)C1 ZINC000459607808 203314611 /nfs/dbraw/zinc/31/46/11/203314611.db2.gz OXGDREFZCAKMSQ-UHFFFAOYSA-N 1 2 237.347 1.741 20 0 BDADLO CC[C@](COC)([NH2+]CCC(C)(C)C)C(=O)OC ZINC000459553909 203299203 /nfs/dbraw/zinc/29/92/03/203299203.db2.gz CGQNKGDBMYJMDV-CYBMUJFWSA-N 1 2 245.363 1.980 20 0 BDADLO CC[N@H+](Cc1cnc(C2CC2)nc1)C1COC1 ZINC000459561993 203300832 /nfs/dbraw/zinc/30/08/32/203300832.db2.gz FHBXOJSJXOTITO-UHFFFAOYSA-N 1 2 233.315 1.575 20 0 BDADLO CC[N@@H+](Cc1cnc(C2CC2)nc1)C1COC1 ZINC000459561993 203300836 /nfs/dbraw/zinc/30/08/36/203300836.db2.gz FHBXOJSJXOTITO-UHFFFAOYSA-N 1 2 233.315 1.575 20 0 BDADLO CC[C@](COC)([NH2+]CCCCF)C(=O)OC ZINC000459566956 203303468 /nfs/dbraw/zinc/30/34/68/203303468.db2.gz ZNBLEGHWWJXGQB-LLVKDONJSA-N 1 2 235.299 1.294 20 0 BDADLO CC[C@](COC)([NH2+]CC[C@H](C)F)C(=O)OC ZINC000459567076 203303527 /nfs/dbraw/zinc/30/35/27/203303527.db2.gz ZXQHHSUFNWOUOP-GXSJLCMTSA-N 1 2 235.299 1.292 20 0 BDADLO COC1(C)C[NH+](Cc2ccnn2C(C)C)C1 ZINC000459570682 203303803 /nfs/dbraw/zinc/30/38/03/203303803.db2.gz BRZFLKMXPHLVEJ-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO CCc1ncc(C[NH+]2CC(C)(CO)C2)s1 ZINC000459618911 203318636 /nfs/dbraw/zinc/31/86/36/203318636.db2.gz HABQUYLGODRJOO-UHFFFAOYSA-N 1 2 226.345 1.520 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1C=CCCC1 ZINC000619515609 369453956 /nfs/dbraw/zinc/45/39/56/369453956.db2.gz YJESFIKTZFCGGS-DCAQKATOSA-N 1 2 227.279 1.681 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1C=CCCC1 ZINC000619515609 369453960 /nfs/dbraw/zinc/45/39/60/369453960.db2.gz YJESFIKTZFCGGS-DCAQKATOSA-N 1 2 227.279 1.681 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ncc(C)o1 ZINC000567812234 326261623 /nfs/dbraw/zinc/26/16/23/326261623.db2.gz NJNNBULUADHQPQ-OPRDCNLKSA-N 1 2 226.276 1.047 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459762976 203361147 /nfs/dbraw/zinc/36/11/47/203361147.db2.gz AASTYTBLMVVIEF-MXWKQRLJSA-N 1 2 229.320 1.485 20 0 BDADLO FC(F)n1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000459769055 203362330 /nfs/dbraw/zinc/36/23/30/203362330.db2.gz RCYBCPQPJOUKJE-IUCAKERBSA-N 1 2 245.298 1.968 20 0 BDADLO FC(F)n1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000459769055 203362332 /nfs/dbraw/zinc/36/23/32/203362332.db2.gz RCYBCPQPJOUKJE-IUCAKERBSA-N 1 2 245.298 1.968 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000459769624 203363122 /nfs/dbraw/zinc/36/31/22/203363122.db2.gz HFOJXOUETXVEBI-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO c1c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nc2ncccn12 ZINC000459770412 203363636 /nfs/dbraw/zinc/36/36/36/203363636.db2.gz NBSMIVZHEQVUQF-QWRGUYRKSA-N 1 2 246.339 1.419 20 0 BDADLO c1c(C[N@H+]2C[C@@H]3C[C@H]2CS3)nc2ncccn12 ZINC000459770412 203363639 /nfs/dbraw/zinc/36/36/39/203363639.db2.gz NBSMIVZHEQVUQF-QWRGUYRKSA-N 1 2 246.339 1.419 20 0 BDADLO CC[C@H](CO)Nc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631031909 370968733 /nfs/dbraw/zinc/96/87/33/370968733.db2.gz NKXJWVUWBOLQIA-SECBINFHSA-N 1 2 248.330 1.686 20 0 BDADLO C[C@H]1CCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000619656362 369510197 /nfs/dbraw/zinc/51/01/97/369510197.db2.gz AWDUZROTVJIWFJ-JTQLQIEISA-N 1 2 244.298 1.638 20 0 BDADLO C[C@@H]1CCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000619656363 369510294 /nfs/dbraw/zinc/51/02/94/369510294.db2.gz AWDUZROTVJIWFJ-SNVBAGLBSA-N 1 2 244.298 1.638 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000459781475 203367752 /nfs/dbraw/zinc/36/77/52/203367752.db2.gz SPBHFGZSCVDNOI-OUAUKWLOSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@H](O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631034234 370981706 /nfs/dbraw/zinc/98/17/06/370981706.db2.gz PPMRYDRJTOOQEE-ZETCQYMHSA-N 1 2 232.287 1.050 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)Nc1cc[nH+]cc1O ZINC000109891187 369557876 /nfs/dbraw/zinc/55/78/76/369557876.db2.gz UIKOTJJKMSGUQP-MRVPVSSYSA-N 1 2 236.271 1.541 20 0 BDADLO O=C(NCC1=CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000620002991 369658399 /nfs/dbraw/zinc/65/83/99/369658399.db2.gz NLJWTWIDWSZJIS-LBPRGKRZSA-N 1 2 245.326 1.672 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C1CC1)C1CC1 ZINC000620025128 369671478 /nfs/dbraw/zinc/67/14/78/369671478.db2.gz IYJSHHKZHVANOI-UHFFFAOYSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C1CC1)C1CC1 ZINC000620025128 369671485 /nfs/dbraw/zinc/67/14/85/369671485.db2.gz IYJSHHKZHVANOI-UHFFFAOYSA-N 1 2 247.342 1.956 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C2CC2)o1 ZINC000619888263 369625218 /nfs/dbraw/zinc/62/52/18/369625218.db2.gz WHNLHFYSSGHCML-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C2CC2)o1 ZINC000619888263 369625223 /nfs/dbraw/zinc/62/52/23/369625223.db2.gz WHNLHFYSSGHCML-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000620074075 369707336 /nfs/dbraw/zinc/70/73/36/369707336.db2.gz AMIPPOIWMPSUEB-NSHDSACASA-N 1 2 207.277 1.188 20 0 BDADLO C[C@H](CC(=O)N1CCC2(COC2)C1)n1cc[nH+]c1 ZINC000620287658 369805367 /nfs/dbraw/zinc/80/53/67/369805367.db2.gz SKALZTRAVBGJOA-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(CC1CC1)CC1CC1 ZINC000620426762 369872021 /nfs/dbraw/zinc/87/20/21/369872021.db2.gz WCWASKIPUCGNJL-UHFFFAOYSA-N 1 2 247.342 1.909 20 0 BDADLO CC(=O)CCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620598067 369949154 /nfs/dbraw/zinc/94/91/54/369949154.db2.gz XIWHQBDOXCSTGC-SNVBAGLBSA-N 1 2 237.303 1.357 20 0 BDADLO CCc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)[nH]n1 ZINC000620597651 369949173 /nfs/dbraw/zinc/94/91/73/369949173.db2.gz YBPNVRVGIWPMKL-MRVPVSSYSA-N 1 2 247.302 1.197 20 0 BDADLO CCCCOCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620600526 369950442 /nfs/dbraw/zinc/95/04/42/369950442.db2.gz OYKLKHGLLJQOAT-SNVBAGLBSA-N 1 2 239.319 1.414 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620601442 369950573 /nfs/dbraw/zinc/95/05/73/369950573.db2.gz XGQVLRFOJKFFES-UWVGGRQHSA-N 1 2 223.320 1.889 20 0 BDADLO Cc1cc(CC(=O)N[C@H](C)c2[nH+]ccn2C)no1 ZINC000620601808 369950662 /nfs/dbraw/zinc/95/06/62/369950662.db2.gz ZTACFPWNRDQAOY-SECBINFHSA-N 1 2 248.286 1.136 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)C(F)(F)F ZINC000620600494 369950787 /nfs/dbraw/zinc/95/07/87/369950787.db2.gz OEHKTTZGHAAOKE-RQJHMYQMSA-N 1 2 249.236 1.796 20 0 BDADLO CCC[C@@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604626 369952536 /nfs/dbraw/zinc/95/25/36/369952536.db2.gz VYSIQPZGECJDLA-JOYOIKCWSA-N 1 2 239.319 1.148 20 0 BDADLO CC[C@](C)(CO)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620610480 369956637 /nfs/dbraw/zinc/95/66/37/369956637.db2.gz XAGQPYRJKDCZEL-BXKDBHETSA-N 1 2 239.319 1.006 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)c(C)[nH]1 ZINC000620594423 369946254 /nfs/dbraw/zinc/94/62/54/369946254.db2.gz AGVSKLSUAXJOPL-SNVBAGLBSA-N 1 2 246.314 1.856 20 0 BDADLO C[C@@H](NC(=O)c1cncs1)c1[nH+]ccn1C ZINC000620594664 369946672 /nfs/dbraw/zinc/94/66/72/369946672.db2.gz CUWJLDZBBHIXCJ-SSDOTTSWSA-N 1 2 236.300 1.368 20 0 BDADLO C[C@@H](NC(=O)CC1CC1)c1[nH+]ccn1C ZINC000620594428 369946732 /nfs/dbraw/zinc/94/67/32/369946732.db2.gz AKNWQZADMISEKB-MRVPVSSYSA-N 1 2 207.277 1.397 20 0 BDADLO COCCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620595173 369947248 /nfs/dbraw/zinc/94/72/48/369947248.db2.gz JJDRYYBQGUSTEQ-SNVBAGLBSA-N 1 2 239.319 1.414 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCO1 ZINC000074859406 370048165 /nfs/dbraw/zinc/04/81/65/370048165.db2.gz LOFULFGHZAVXGR-JTQLQIEISA-N 1 2 231.255 1.452 20 0 BDADLO C[C@H]1SCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000074679678 370003068 /nfs/dbraw/zinc/00/30/68/370003068.db2.gz QQQIDPCXTJDIJF-NXEZZACHSA-N 1 2 239.344 1.236 20 0 BDADLO CCN(CCOC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568186886 326323064 /nfs/dbraw/zinc/32/30/64/326323064.db2.gz OEUMDDWLUCZLHY-SNVBAGLBSA-N 1 2 239.319 1.083 20 0 BDADLO CCN(CCOC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568186886 326323066 /nfs/dbraw/zinc/32/30/66/326323066.db2.gz OEUMDDWLUCZLHY-SNVBAGLBSA-N 1 2 239.319 1.083 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)ccn1 ZINC000621280833 370212233 /nfs/dbraw/zinc/21/22/33/370212233.db2.gz GHHFTDSMIIRJEG-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)ccn1 ZINC000621280833 370212237 /nfs/dbraw/zinc/21/22/37/370212237.db2.gz GHHFTDSMIIRJEG-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)s1 ZINC000621372715 370311124 /nfs/dbraw/zinc/31/11/24/370311124.db2.gz ZZKJJNGLCSARDK-WPRPVWTQSA-N 1 2 241.360 1.297 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)s1 ZINC000621372715 370311126 /nfs/dbraw/zinc/31/11/26/370311126.db2.gz ZZKJJNGLCSARDK-WPRPVWTQSA-N 1 2 241.360 1.297 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000621475160 370368281 /nfs/dbraw/zinc/36/82/81/370368281.db2.gz YTNYOVIEHSTCMW-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000112616748 370333960 /nfs/dbraw/zinc/33/39/60/370333960.db2.gz FGSCMWFJLDGDOP-SNVBAGLBSA-N 1 2 248.317 1.736 20 0 BDADLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112616748 370333962 /nfs/dbraw/zinc/33/39/62/370333962.db2.gz FGSCMWFJLDGDOP-SNVBAGLBSA-N 1 2 248.317 1.736 20 0 BDADLO CCc1cc(N[C@@H](C)[C@H](C)CO)nc[nH+]1 ZINC000077227655 370402218 /nfs/dbraw/zinc/40/22/18/370402218.db2.gz AXBHKRCSYCJHQJ-BDAKNGLRSA-N 1 2 209.293 1.468 20 0 BDADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000077286468 370409685 /nfs/dbraw/zinc/40/96/85/370409685.db2.gz YYJAHADWLJESHG-LBPRGKRZSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000077286468 370409688 /nfs/dbraw/zinc/40/96/88/370409688.db2.gz YYJAHADWLJESHG-LBPRGKRZSA-N 1 2 249.314 1.261 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000065423447 370441497 /nfs/dbraw/zinc/44/14/97/370441497.db2.gz JLERICUUWCXZQD-DTWKUNHWSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000065423447 370441503 /nfs/dbraw/zinc/44/15/03/370441503.db2.gz JLERICUUWCXZQD-DTWKUNHWSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000621718110 370467364 /nfs/dbraw/zinc/46/73/64/370467364.db2.gz YQXKDCFTMKEAEW-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000621718110 370467370 /nfs/dbraw/zinc/46/73/70/370467370.db2.gz YQXKDCFTMKEAEW-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO CCCc1cc(C(=O)NCc2[nH]cc[nH+]2)[nH]n1 ZINC000114126042 370547182 /nfs/dbraw/zinc/54/71/82/370547182.db2.gz RFYKTWCCSDUJHD-UHFFFAOYSA-N 1 2 233.275 1.015 20 0 BDADLO O=C1CN(Cc2ccccc2)[C@H](c2c[nH]c[nH+]2)N1 ZINC000078763056 370597327 /nfs/dbraw/zinc/59/73/27/370597327.db2.gz NEGGDNZKNSRRGZ-CYBMUJFWSA-N 1 2 242.282 1.040 20 0 BDADLO CC1CC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621897993 370586662 /nfs/dbraw/zinc/58/66/62/370586662.db2.gz LDJDQWXLZDEENC-UHFFFAOYSA-N 1 2 221.304 1.602 20 0 BDADLO CCN(CC(F)F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621951922 370617100 /nfs/dbraw/zinc/61/71/00/370617100.db2.gz NQPZUQPLMXIWKP-UHFFFAOYSA-N 1 2 245.273 1.801 20 0 BDADLO CC(C)(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000622684837 371062711 /nfs/dbraw/zinc/06/27/11/371062711.db2.gz XGSLFDARZVGZNG-UHFFFAOYSA-N 1 2 235.331 1.847 20 0 BDADLO Cn1nccc1NC(=O)CCCn1cc[nH+]c1 ZINC000623919078 371155433 /nfs/dbraw/zinc/15/54/33/371155433.db2.gz YUDJXDYKWQFZDI-UHFFFAOYSA-N 1 2 233.275 1.036 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cnoc1 ZINC000623938803 371168070 /nfs/dbraw/zinc/16/80/70/371168070.db2.gz GZRSDBCQIWKCHG-UHFFFAOYSA-N 1 2 220.232 1.290 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@@H]1CCCCO1 ZINC000623961598 371198498 /nfs/dbraw/zinc/19/84/98/371198498.db2.gz IZWAFUCQNOBPMJ-BDAKNGLRSA-N 1 2 223.263 1.161 20 0 BDADLO CCOCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000390494301 371207878 /nfs/dbraw/zinc/20/78/78/371207878.db2.gz RIAYBXFXSZKRBA-UHFFFAOYSA-N 1 2 219.288 1.689 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)o1 ZINC000624017701 371253709 /nfs/dbraw/zinc/25/37/09/371253709.db2.gz CYEWYHZMMJDLGP-GHMZBOCLSA-N 1 2 249.314 1.706 20 0 BDADLO CCCc1noc(C[N@H+](C)C(C)(C)CO)n1 ZINC000125153673 371291341 /nfs/dbraw/zinc/29/13/41/371291341.db2.gz BZGZUUYBOFMHIQ-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000125153673 371291346 /nfs/dbraw/zinc/29/13/46/371291346.db2.gz BZGZUUYBOFMHIQ-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO C[C@@H](CC(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC000624075414 371294292 /nfs/dbraw/zinc/29/42/92/371294292.db2.gz BPFBWEDABGHBOX-QMMMGPOBSA-N 1 2 249.236 1.588 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000624147634 371343177 /nfs/dbraw/zinc/34/31/77/371343177.db2.gz GQRGRUVUERIESN-QMMMGPOBSA-N 1 2 243.319 1.445 20 0 BDADLO CCC(F)(F)CN[C@H]1CCn2cc[nH+]c21 ZINC000624148622 371345456 /nfs/dbraw/zinc/34/54/56/371345456.db2.gz JTFUCDHSOHRVPH-QMMMGPOBSA-N 1 2 215.247 1.963 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000392413649 371386497 /nfs/dbraw/zinc/38/64/97/371386497.db2.gz FQJFKKVLBNTLNG-VIFPVBQESA-N 1 2 241.298 1.836 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1cccc(C#N)c1 ZINC000392382803 371379687 /nfs/dbraw/zinc/37/96/87/371379687.db2.gz NEMMVHTXKJAXKV-QMMMGPOBSA-N 1 2 243.270 1.233 20 0 BDADLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCCF ZINC000125887963 371435425 /nfs/dbraw/zinc/43/54/25/371435425.db2.gz HJAUMOCOKVQSQI-LBPRGKRZSA-N 1 2 239.290 1.720 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H]1CCCNC1=O ZINC000624273624 371454307 /nfs/dbraw/zinc/45/43/07/371454307.db2.gz BBXPKSOEDCFJES-VIFPVBQESA-N 1 2 235.287 1.028 20 0 BDADLO COc1ccc[nH+]c1N(C)CC1=CCCOC1 ZINC000624397594 371499701 /nfs/dbraw/zinc/49/97/01/371499701.db2.gz DXTMJRCUSMKZEE-UHFFFAOYSA-N 1 2 234.299 1.873 20 0 BDADLO COc1ccc[nH+]c1N1C[C@]2(C)COC[C@]2(C)C1 ZINC000624394064 371499600 /nfs/dbraw/zinc/49/96/00/371499600.db2.gz TZZOEEHHZPFQFX-OKILXGFUSA-N 1 2 248.326 1.953 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C ZINC000131532325 371616252 /nfs/dbraw/zinc/61/62/52/371616252.db2.gz RCPWNDDJLXABDI-QWRGUYRKSA-N 1 2 235.331 1.811 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000627368396 371584801 /nfs/dbraw/zinc/58/48/01/371584801.db2.gz SUVQPPMMRUZHGK-SECBINFHSA-N 1 2 235.331 1.977 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000627368396 371584805 /nfs/dbraw/zinc/58/48/05/371584805.db2.gz SUVQPPMMRUZHGK-SECBINFHSA-N 1 2 235.331 1.977 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000627369519 371588296 /nfs/dbraw/zinc/58/82/96/371588296.db2.gz WJAFCOQLSIRXQJ-ZCFIWIBFSA-N 1 2 247.220 1.493 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000627369519 371588301 /nfs/dbraw/zinc/58/83/01/371588301.db2.gz WJAFCOQLSIRXQJ-ZCFIWIBFSA-N 1 2 247.220 1.493 20 0 BDADLO CCC[C@@H](OCC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000627466150 371638117 /nfs/dbraw/zinc/63/81/17/371638117.db2.gz YKPYGGXJQVQPJO-NXEZZACHSA-N 1 2 239.319 1.792 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC13CC3)CC2 ZINC000627831957 372044144 /nfs/dbraw/zinc/04/41/44/372044144.db2.gz UUVJCQFUWHGCJA-MNOVXSKESA-N 1 2 245.326 1.423 20 0 BDADLO COc1cccnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000631156274 372211610 /nfs/dbraw/zinc/21/16/10/372211610.db2.gz ZFDHYSQVCZYLPU-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO Cc1nc(N[C@@H]2CCOC3(CCC3)C2)nc(N)[nH+]1 ZINC000631169347 372216116 /nfs/dbraw/zinc/21/61/16/372216116.db2.gz DWQDVZBHUHELEJ-SECBINFHSA-N 1 2 249.318 1.106 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000631169347 372216119 /nfs/dbraw/zinc/21/61/19/372216119.db2.gz DWQDVZBHUHELEJ-SECBINFHSA-N 1 2 249.318 1.106 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000631180028 372219777 /nfs/dbraw/zinc/21/97/77/372219777.db2.gz MCIIVCXQGABXNF-NSHDSACASA-N 1 2 243.314 1.237 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000631180028 372219780 /nfs/dbraw/zinc/21/97/80/372219780.db2.gz MCIIVCXQGABXNF-NSHDSACASA-N 1 2 243.314 1.237 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CC=CCC2)nc(N)[nH+]1 ZINC000631203871 372233120 /nfs/dbraw/zinc/23/31/20/372233120.db2.gz GMGKVRNMXJCTKX-SNVBAGLBSA-N 1 2 233.319 1.385 20 0 BDADLO Cc1nc(N)nc(N(C)C[C@@H]2CC=CCC2)[nH+]1 ZINC000631203871 372233124 /nfs/dbraw/zinc/23/31/24/372233124.db2.gz GMGKVRNMXJCTKX-SNVBAGLBSA-N 1 2 233.319 1.385 20 0 BDADLO CC[C@H](Nc1nc(C)[nH+]c(N)n1)[C@H]1CC1(C)C ZINC000631315974 372291675 /nfs/dbraw/zinc/29/16/75/372291675.db2.gz ZMMSPFIJKXELNI-BDAKNGLRSA-N 1 2 235.335 1.829 20 0 BDADLO CC[C@H](Nc1nc(N)nc(C)[nH+]1)[C@H]1CC1(C)C ZINC000631315974 372291680 /nfs/dbraw/zinc/29/16/80/372291680.db2.gz ZMMSPFIJKXELNI-BDAKNGLRSA-N 1 2 235.335 1.829 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NCCF)[nH+]1 ZINC000631262854 372268429 /nfs/dbraw/zinc/26/84/29/372268429.db2.gz VZHKRPRQAPSVJN-UHFFFAOYSA-N 1 2 222.267 1.885 20 0 BDADLO CCN(Cc1occc1C)c1nc(C)[nH+]c(N)n1 ZINC000631303703 372286236 /nfs/dbraw/zinc/28/62/36/372286236.db2.gz MGHQZWALLFYMHH-UHFFFAOYSA-N 1 2 247.302 1.521 20 0 BDADLO CCN(Cc1occc1C)c1nc(N)nc(C)[nH+]1 ZINC000631303703 372286243 /nfs/dbraw/zinc/28/62/43/372286243.db2.gz MGHQZWALLFYMHH-UHFFFAOYSA-N 1 2 247.302 1.521 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@H]2C[C@H](O)C2)[nH+]1 ZINC000631375113 372321978 /nfs/dbraw/zinc/32/19/78/372321978.db2.gz GXDMUMZLHXSNFG-KYZUINATSA-N 1 2 246.314 1.438 20 0 BDADLO Cc1nc(N2CCC(CCF)CC2)nc(N)[nH+]1 ZINC000631448530 372368939 /nfs/dbraw/zinc/36/89/39/372368939.db2.gz LXDGJLXQIWFGIJ-UHFFFAOYSA-N 1 2 239.298 1.169 20 0 BDADLO Cc1nc(N)nc(N2CCC(CCF)CC2)[nH+]1 ZINC000631448530 372368944 /nfs/dbraw/zinc/36/89/44/372368944.db2.gz LXDGJLXQIWFGIJ-UHFFFAOYSA-N 1 2 239.298 1.169 20 0 BDADLO CCc1cc(N[C@@H](C)[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493938 372394274 /nfs/dbraw/zinc/39/42/74/372394274.db2.gz RFGHLTLXFYCACA-RCOVLWMOSA-N 1 2 249.236 1.763 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000631594980 372447116 /nfs/dbraw/zinc/44/71/16/372447116.db2.gz PYQLOMICJHRXDM-YPMHNXCESA-N 1 2 249.314 1.294 20 0 BDADLO CC[C@@H](NC(C)=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000631743218 372544448 /nfs/dbraw/zinc/54/44/48/372544448.db2.gz PFMAKXZHCBLAFL-LLVKDONJSA-N 1 2 249.314 1.552 20 0 BDADLO CCN(C(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000632143083 372778894 /nfs/dbraw/zinc/77/88/94/372778894.db2.gz NDGFVFJECJOSBH-UHFFFAOYSA-N 1 2 210.281 1.350 20 0 BDADLO CC[C@@H](NC(=O)CC1CSC1)c1[nH]cc[nH+]1 ZINC000632509834 372979168 /nfs/dbraw/zinc/97/91/68/372979168.db2.gz PJKQXNSGAMRMBQ-SECBINFHSA-N 1 2 239.344 1.730 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2sccc2C1 ZINC000048405472 182070526 /nfs/dbraw/zinc/07/05/26/182070526.db2.gz MLONGNKJZHGWSX-UHFFFAOYSA-N 1 2 247.323 1.530 20 0 BDADLO CC(C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632818206 373164393 /nfs/dbraw/zinc/16/43/93/373164393.db2.gz DFGPKSSQFJQTQE-UHFFFAOYSA-N 1 2 224.308 1.597 20 0 BDADLO O=C(N1CCC[C@@H]1c1[nH]cc[nH+]1)C(F)(F)F ZINC000371513424 182080701 /nfs/dbraw/zinc/08/07/01/182080701.db2.gz FATLZESOYYUHGN-ZCFIWIBFSA-N 1 2 233.193 1.636 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)C1(CCF)CC1 ZINC000358168540 182083524 /nfs/dbraw/zinc/08/35/24/182083524.db2.gz NRNNCFVXGANKAE-UHFFFAOYSA-N 1 2 237.278 1.365 20 0 BDADLO CCC(CC)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632986047 373243305 /nfs/dbraw/zinc/24/33/05/373243305.db2.gz PELAJWUJEUDSKQ-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CC1(C)C ZINC000632998085 373246822 /nfs/dbraw/zinc/24/68/22/373246822.db2.gz BKXJKLWNOUBXCF-VIFPVBQESA-N 1 2 236.319 1.597 20 0 BDADLO O=C(NC1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000265731887 182103959 /nfs/dbraw/zinc/10/39/59/182103959.db2.gz BSRZNUHICAEHAO-UHFFFAOYSA-N 1 2 248.330 1.782 20 0 BDADLO C[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000633081887 373289444 /nfs/dbraw/zinc/28/94/44/373289444.db2.gz JNFULVQODQWCFI-VIFPVBQESA-N 1 2 236.319 1.597 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCn1cccc1 ZINC000633096444 373294090 /nfs/dbraw/zinc/29/40/90/373294090.db2.gz GTPPYGKAHNGCHY-UHFFFAOYSA-N 1 2 247.302 1.053 20 0 BDADLO O=C(NC1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000290848432 182109028 /nfs/dbraw/zinc/10/90/28/182109028.db2.gz WYUMKMKYOSTRPN-UHFFFAOYSA-N 1 2 234.303 1.351 20 0 BDADLO CC/C=C/CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633277319 373438291 /nfs/dbraw/zinc/43/82/91/373438291.db2.gz VMIBYQNBUYSHME-SNAWJCMRSA-N 1 2 222.292 1.517 20 0 BDADLO O=C(NCC1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875303 182140243 /nfs/dbraw/zinc/14/02/43/182140243.db2.gz RUBVCQDYOLEKLG-VIFPVBQESA-N 1 2 219.288 1.041 20 0 BDADLO CC[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000633354455 373491702 /nfs/dbraw/zinc/49/17/02/373491702.db2.gz JOTOXNXVYKAPJF-JTQLQIEISA-N 1 2 236.319 1.740 20 0 BDADLO O=C(NCC1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875303 182140246 /nfs/dbraw/zinc/14/02/46/182140246.db2.gz RUBVCQDYOLEKLG-VIFPVBQESA-N 1 2 219.288 1.041 20 0 BDADLO Cc1nocc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000633361659 373496600 /nfs/dbraw/zinc/49/66/00/373496600.db2.gz XYRHNKWTNXKLRE-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO Cc1cccn2c(NC(=O)CCCCO)c[nH+]c12 ZINC000633634147 373646718 /nfs/dbraw/zinc/64/67/18/373646718.db2.gz ARSKRANQXCXLCY-UHFFFAOYSA-N 1 2 247.298 1.744 20 0 BDADLO Cc1conc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000633650787 373661222 /nfs/dbraw/zinc/66/12/22/373661222.db2.gz YUJRKHHHBAXZNZ-QMMMGPOBSA-N 1 2 234.259 1.208 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C(F)F ZINC000338102280 182179455 /nfs/dbraw/zinc/17/94/55/182179455.db2.gz XBRMFMIMWZZSRG-RKDXNWHRSA-N 1 2 243.257 1.291 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCCS1 ZINC000273018657 182215064 /nfs/dbraw/zinc/21/50/64/182215064.db2.gz YXTQCWQEUBSLQN-JTQLQIEISA-N 1 2 239.344 1.285 20 0 BDADLO Cc1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000634311309 374157969 /nfs/dbraw/zinc/15/79/69/374157969.db2.gz WPUBXBNZKGEWMP-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)o1 ZINC000634311189 374158274 /nfs/dbraw/zinc/15/82/74/374158274.db2.gz RQFOVENZEWSFGS-UHFFFAOYSA-N 1 2 219.244 1.101 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336509376 182252850 /nfs/dbraw/zinc/25/28/50/182252850.db2.gz NABLHULKRCYSFS-JTQLQIEISA-N 1 2 244.298 1.474 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000336509376 182252851 /nfs/dbraw/zinc/25/28/51/182252851.db2.gz NABLHULKRCYSFS-JTQLQIEISA-N 1 2 244.298 1.474 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CCCCCC1 ZINC000070651605 182273246 /nfs/dbraw/zinc/27/32/46/182273246.db2.gz ZTMYKSIDDKVMLY-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc[nH]c1C1CCC1 ZINC000362775969 182273969 /nfs/dbraw/zinc/27/39/69/182273969.db2.gz SXNOXGUFTOVBHY-UHFFFAOYSA-N 1 2 244.298 1.935 20 0 BDADLO O=C(NCc1ccoc1)N1CCn2c[nH+]cc2C1 ZINC000291159374 182266702 /nfs/dbraw/zinc/26/67/02/182266702.db2.gz FRRPWAABYLJPQJ-UHFFFAOYSA-N 1 2 246.270 1.202 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000028697313 182268619 /nfs/dbraw/zinc/26/86/19/182268619.db2.gz HOIPETUYVIDURZ-LLVKDONJSA-N 1 2 245.282 1.130 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(CCF)CC1 ZINC000354466459 182270955 /nfs/dbraw/zinc/27/09/55/182270955.db2.gz UTEWEMLAWGNPFY-UHFFFAOYSA-N 1 2 211.240 1.166 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(CCF)CC1 ZINC000354466459 182270957 /nfs/dbraw/zinc/27/09/57/182270957.db2.gz UTEWEMLAWGNPFY-UHFFFAOYSA-N 1 2 211.240 1.166 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351107206 535449273 /nfs/dbraw/zinc/44/92/73/535449273.db2.gz YBBDYVJEUKAJPW-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351107206 535449276 /nfs/dbraw/zinc/44/92/76/535449276.db2.gz YBBDYVJEUKAJPW-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CCC[C@H]2C)n1 ZINC000450451098 206102850 /nfs/dbraw/zinc/10/28/50/206102850.db2.gz DTAIUEDNEFNUCB-MRVPVSSYSA-N 1 2 240.328 1.914 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CCC[C@H]2C)n1 ZINC000450451098 206102854 /nfs/dbraw/zinc/10/28/54/206102854.db2.gz DTAIUEDNEFNUCB-MRVPVSSYSA-N 1 2 240.328 1.914 20 0 BDADLO O=C(N[C@H]1CCCOC1)c1ccc2[nH+]ccn2c1 ZINC000171674808 182331007 /nfs/dbraw/zinc/33/10/07/182331007.db2.gz OBAUCXOTXIZLCU-NSHDSACASA-N 1 2 245.282 1.243 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000457546076 206121811 /nfs/dbraw/zinc/12/18/11/206121811.db2.gz FVYQIUDBSLNJFO-SECBINFHSA-N 1 2 221.304 1.804 20 0 BDADLO CCOC[C@H]([NH2+]CC(=O)OCC)C(C)C ZINC000194852263 206112048 /nfs/dbraw/zinc/11/20/48/206112048.db2.gz NTBQBCSTDXVHAE-JTQLQIEISA-N 1 2 217.309 1.200 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccoc1 ZINC000336610464 182342832 /nfs/dbraw/zinc/34/28/32/182342832.db2.gz GSVRVOSEPXGMHW-JTQLQIEISA-N 1 2 231.255 1.221 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cncc(F)c1 ZINC000167436490 206146157 /nfs/dbraw/zinc/14/61/57/206146157.db2.gz QTXPQNGQDRJUCY-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO O=C(Nc1cccc(F)c1F)[C@@H]1CSC[NH2+]1 ZINC000040230952 182370502 /nfs/dbraw/zinc/37/05/02/182370502.db2.gz MVVCKDGBGNATDW-QMMMGPOBSA-N 1 2 244.266 1.566 20 0 BDADLO O=C(Nc1cccc(O)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336562934 182370818 /nfs/dbraw/zinc/37/08/18/182370818.db2.gz OPXBDWMXMDFLCN-VIFPVBQESA-N 1 2 242.225 1.328 20 0 BDADLO O=C(Nc1cccc2[nH]cnc21)[C@@H]1CSC[NH2+]1 ZINC000166527300 182372097 /nfs/dbraw/zinc/37/20/97/182372097.db2.gz WDVBYLNTHADJSV-VIFPVBQESA-N 1 2 248.311 1.164 20 0 BDADLO O=C(Nc1cccc2[nH]ccc21)[C@H]1CSC[NH2+]1 ZINC000074895231 182372608 /nfs/dbraw/zinc/37/26/08/182372608.db2.gz XABKSABUWVCZEU-LLVKDONJSA-N 1 2 247.323 1.769 20 0 BDADLO CCOCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120329346 170340486 /nfs/dbraw/zinc/34/04/86/170340486.db2.gz MNNCLBXMMYGAEA-JTQLQIEISA-N 1 2 237.303 1.500 20 0 BDADLO COCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000522006974 259582451 /nfs/dbraw/zinc/58/24/51/259582451.db2.gz YLFZOQCJEQSNAE-WDEREUQCSA-N 1 2 239.319 1.375 20 0 BDADLO OCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375796861 183057112 /nfs/dbraw/zinc/05/71/12/183057112.db2.gz TUMSDDYTMVNPQN-JTQLQIEISA-N 1 2 211.261 1.035 20 0 BDADLO OCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375796861 183057115 /nfs/dbraw/zinc/05/71/15/183057115.db2.gz TUMSDDYTMVNPQN-JTQLQIEISA-N 1 2 211.261 1.035 20 0 BDADLO OCCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000362661188 183050170 /nfs/dbraw/zinc/05/01/70/183050170.db2.gz COXIHVLHIZQJRE-UHFFFAOYSA-N 1 2 234.274 1.980 20 0 BDADLO OCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187029587 183076338 /nfs/dbraw/zinc/07/63/38/183076338.db2.gz DPOJIFOVONSTIH-MRVPVSSYSA-N 1 2 230.358 1.225 20 0 BDADLO OCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187029587 183076339 /nfs/dbraw/zinc/07/63/39/183076339.db2.gz DPOJIFOVONSTIH-MRVPVSSYSA-N 1 2 230.358 1.225 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC000095078598 183118000 /nfs/dbraw/zinc/11/80/00/183118000.db2.gz BLIKSFMYPFTWBI-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC000095078598 183118002 /nfs/dbraw/zinc/11/80/02/183118002.db2.gz BLIKSFMYPFTWBI-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@@H]1CCCN1c1cccc(-n2cc[nH+]c2)n1 ZINC000364440433 183121428 /nfs/dbraw/zinc/12/14/28/183121428.db2.gz GCUSLKQFJRIBHD-NSHDSACASA-N 1 2 244.298 1.228 20 0 BDADLO OC[C@@]1([NH2+]Cc2c[nH]cn2)CCc2ccccc21 ZINC000370802688 183134866 /nfs/dbraw/zinc/13/48/66/183134866.db2.gz JCMOCUOMFZJHSK-AWEZNQCLSA-N 1 2 243.310 1.333 20 0 BDADLO CCCCc1nc(C[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000332727634 169026430 /nfs/dbraw/zinc/02/64/30/169026430.db2.gz STWMNYADEXKVRM-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1nc(C[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000332727634 169026432 /nfs/dbraw/zinc/02/64/32/169026432.db2.gz STWMNYADEXKVRM-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO OC[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000270213119 183124765 /nfs/dbraw/zinc/12/47/65/183124765.db2.gz JXAIPYVFVBFMQP-LLVKDONJSA-N 1 2 248.330 1.117 20 0 BDADLO OC[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000270213119 183124767 /nfs/dbraw/zinc/12/47/67/183124767.db2.gz JXAIPYVFVBFMQP-LLVKDONJSA-N 1 2 248.330 1.117 20 0 BDADLO CCCCc1[nH]c2ccc(NC(=O)CO)cc2[nH+]1 ZINC000270815161 169028184 /nfs/dbraw/zinc/02/81/84/169028184.db2.gz QEQJIESEMMCMIB-UHFFFAOYSA-N 1 2 247.298 1.836 20 0 BDADLO OC[C@@H]1CC[C@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000292777242 183125952 /nfs/dbraw/zinc/12/59/52/183125952.db2.gz PNARSCRZPWTZMV-MNOVXSKESA-N 1 2 249.314 1.306 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2nccs2)CCC1(F)F ZINC000361083962 183127992 /nfs/dbraw/zinc/12/79/92/183127992.db2.gz ZPBOHNWQXCYMOF-QMMMGPOBSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2nccs2)CCC1(F)F ZINC000361083962 183127995 /nfs/dbraw/zinc/12/79/95/183127995.db2.gz ZPBOHNWQXCYMOF-QMMMGPOBSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000374105947 183147406 /nfs/dbraw/zinc/14/74/06/183147406.db2.gz JXNRJPOMGTXELO-NSHDSACASA-N 1 2 206.289 1.680 20 0 BDADLO OCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000161169147 183163684 /nfs/dbraw/zinc/16/36/84/183163684.db2.gz CRISZPYYGUIYDR-AOOOYVTPSA-N 1 2 223.272 1.135 20 0 BDADLO OCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000161169147 183163687 /nfs/dbraw/zinc/16/36/87/183163687.db2.gz CRISZPYYGUIYDR-AOOOYVTPSA-N 1 2 223.272 1.135 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)o1 ZINC000228007266 183164029 /nfs/dbraw/zinc/16/40/29/183164029.db2.gz OXOYGQTYZRDNFU-CHWSQXEVSA-N 1 2 237.299 1.525 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)o1 ZINC000228007266 183164031 /nfs/dbraw/zinc/16/40/31/183164031.db2.gz OXOYGQTYZRDNFU-CHWSQXEVSA-N 1 2 237.299 1.525 20 0 BDADLO CCCN(C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000264134866 169043843 /nfs/dbraw/zinc/04/38/43/169043843.db2.gz WYIGTZGVEPTQEU-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO O[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000277391963 183180334 /nfs/dbraw/zinc/18/03/34/183180334.db2.gz JCGUCHOQVUYVOL-NSHDSACASA-N 1 2 248.330 1.260 20 0 BDADLO O[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000277391963 183180336 /nfs/dbraw/zinc/18/03/36/183180336.db2.gz JCGUCHOQVUYVOL-NSHDSACASA-N 1 2 248.330 1.260 20 0 BDADLO OCc1ccc(NCc2cscn2)[nH+]c1 ZINC000308861378 183165837 /nfs/dbraw/zinc/16/58/37/183165837.db2.gz AIAQCZCAUVCVHC-UHFFFAOYSA-N 1 2 221.285 1.643 20 0 BDADLO OCc1ccc(NCC[C@H]2CCOC2)[nH+]c1 ZINC000309656372 183166181 /nfs/dbraw/zinc/16/61/81/183166181.db2.gz VYGXOZRKLCEYPY-JTQLQIEISA-N 1 2 222.288 1.412 20 0 BDADLO OCc1ncn2c1C[N@H+](Cc1ccccc1)CC2 ZINC000089195631 183171549 /nfs/dbraw/zinc/17/15/49/183171549.db2.gz AAZRMRJJASAHPN-UHFFFAOYSA-N 1 2 243.310 1.391 20 0 BDADLO OCc1ncn2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000089195631 183171553 /nfs/dbraw/zinc/17/15/53/183171553.db2.gz AAZRMRJJASAHPN-UHFFFAOYSA-N 1 2 243.310 1.391 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000277033251 183196382 /nfs/dbraw/zinc/19/63/82/183196382.db2.gz FEUQOCXORWIHQO-GHMZBOCLSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000277033251 183196384 /nfs/dbraw/zinc/19/63/84/183196384.db2.gz FEUQOCXORWIHQO-GHMZBOCLSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2c[nH]cn2)Cc2ccccc21 ZINC000375243472 183200468 /nfs/dbraw/zinc/20/04/68/183200468.db2.gz YHQRVJOELXDWME-CQSZACIVSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2c[nH]cn2)Cc2ccccc21 ZINC000375243472 183200471 /nfs/dbraw/zinc/20/04/71/183200471.db2.gz YHQRVJOELXDWME-CQSZACIVSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000375243472 183200474 /nfs/dbraw/zinc/20/04/74/183200474.db2.gz YHQRVJOELXDWME-CQSZACIVSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000375243472 183200476 /nfs/dbraw/zinc/20/04/76/183200476.db2.gz YHQRVJOELXDWME-CQSZACIVSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@@H]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000338834841 183193532 /nfs/dbraw/zinc/19/35/32/183193532.db2.gz HHTSGGBDXIWINX-LLVKDONJSA-N 1 2 243.310 1.981 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1occc1C ZINC000269373546 169101907 /nfs/dbraw/zinc/10/19/07/169101907.db2.gz VBJSCWKSRMSCRA-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1occc1C ZINC000269373546 169101910 /nfs/dbraw/zinc/10/19/10/169101910.db2.gz VBJSCWKSRMSCRA-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000339705566 169110973 /nfs/dbraw/zinc/11/09/73/169110973.db2.gz HPDVDRRZYYNJMO-UHFFFAOYSA-N 1 2 242.269 1.662 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000339705566 169110975 /nfs/dbraw/zinc/11/09/75/169110975.db2.gz HPDVDRRZYYNJMO-UHFFFAOYSA-N 1 2 242.269 1.662 20 0 BDADLO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cocn1 ZINC000288570675 183250696 /nfs/dbraw/zinc/25/06/96/183250696.db2.gz NASGMXMXPDPTRW-YPMHNXCESA-N 1 2 246.266 1.259 20 0 BDADLO CCCN(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276666444 169107712 /nfs/dbraw/zinc/10/77/12/169107712.db2.gz YSROQPOMRWNOCN-ONEGZZNKSA-N 1 2 243.257 1.927 20 0 BDADLO CCCN(CC)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000299159444 169131378 /nfs/dbraw/zinc/13/13/78/169131378.db2.gz ZJNKHNBGGNPDHZ-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCCN(CC)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000299159444 169131380 /nfs/dbraw/zinc/13/13/80/169131380.db2.gz ZJNKHNBGGNPDHZ-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO Oc1ccc(F)c(C[NH+]2CCC(O)CC2)c1F ZINC000280931307 183273630 /nfs/dbraw/zinc/27/36/30/183273630.db2.gz HDRBTVMNUWGKOY-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C3CCC3)C2)[nH]1 ZINC000367987624 183306629 /nfs/dbraw/zinc/30/66/29/183306629.db2.gz GJJPREJGLLZIMK-MRVPVSSYSA-N 1 2 222.292 1.242 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C3CCC3)C2)[nH]1 ZINC000367987624 183306631 /nfs/dbraw/zinc/30/66/31/183306631.db2.gz GJJPREJGLLZIMK-MRVPVSSYSA-N 1 2 222.292 1.242 20 0 BDADLO CCCN(CCO)c1[nH+]c2ccccc2n1C ZINC000079048873 169168551 /nfs/dbraw/zinc/16/85/51/169168551.db2.gz MRPTVKZGTZCVTO-UHFFFAOYSA-N 1 2 233.315 1.782 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@@H+]2CC2CCC2)[nH]1 ZINC000333641724 183306700 /nfs/dbraw/zinc/30/67/00/183306700.db2.gz CDWCGLPVIKPYFL-JTQLQIEISA-N 1 2 236.319 1.837 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@H+]2CC2CCC2)[nH]1 ZINC000333641724 183306702 /nfs/dbraw/zinc/30/67/02/183306702.db2.gz CDWCGLPVIKPYFL-JTQLQIEISA-N 1 2 236.319 1.837 20 0 BDADLO c1c[nH+]c(CN2CCC[C@@H]2c2ncon2)[nH]1 ZINC000362859900 183326135 /nfs/dbraw/zinc/32/61/35/183326135.db2.gz PJLGEAQHQOYXJD-MRVPVSSYSA-N 1 2 219.248 1.130 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2cocn2)[nH]1 ZINC000330328501 183328777 /nfs/dbraw/zinc/32/87/77/183328777.db2.gz LRVMANJAYZVEDW-SNVBAGLBSA-N 1 2 218.260 1.735 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@H](C3CCCC3)C2)[nH]1 ZINC000333489306 183307399 /nfs/dbraw/zinc/30/73/99/183307399.db2.gz GNEQEHGHXYBAAR-JTQLQIEISA-N 1 2 236.319 1.522 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@H](C3CCCC3)C2)[nH]1 ZINC000333489306 183307400 /nfs/dbraw/zinc/30/74/00/183307400.db2.gz GNEQEHGHXYBAAR-JTQLQIEISA-N 1 2 236.319 1.522 20 0 BDADLO O=c1[nH]nc(C[NH2+]C2C3CC4CC(C3)CC2C4)[nH]1 ZINC000328799251 183307509 /nfs/dbraw/zinc/30/75/09/183307509.db2.gz XMHAFQUWEFEMIZ-UHFFFAOYSA-N 1 2 248.330 1.425 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1c[nH]cn1)CC2 ZINC000280216291 183309327 /nfs/dbraw/zinc/30/93/27/183309327.db2.gz KRVYUBADXZHTBY-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1c[nH]cn1)CC2 ZINC000280216291 183309331 /nfs/dbraw/zinc/30/93/31/183309331.db2.gz KRVYUBADXZHTBY-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1cnc[nH]1)CC2 ZINC000280216291 183309333 /nfs/dbraw/zinc/30/93/33/183309333.db2.gz KRVYUBADXZHTBY-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cnc[nH]1)CC2 ZINC000280216291 183309336 /nfs/dbraw/zinc/30/93/36/183309336.db2.gz KRVYUBADXZHTBY-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO CCCN1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000019386002 169202601 /nfs/dbraw/zinc/20/26/01/169202601.db2.gz FYQXRKXWQXMICX-UHFFFAOYSA-N 1 2 233.359 1.796 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1c(F)cccc1F ZINC000035134168 169226128 /nfs/dbraw/zinc/22/61/28/169226128.db2.gz GMAFQJDEFQQYJG-UHFFFAOYSA-N 1 2 242.269 1.581 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000293876413 169228640 /nfs/dbraw/zinc/22/86/40/169228640.db2.gz FIRQRVOYQGDCRI-NXEZZACHSA-N 1 2 236.319 1.005 20 0 BDADLO c1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)n[nH]1 ZINC000093438508 183341788 /nfs/dbraw/zinc/34/17/88/183341788.db2.gz RUUMOJQEQUKJPS-LBPRGKRZSA-N 1 2 231.303 1.860 20 0 BDADLO c1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)n[nH]1 ZINC000093438508 183341790 /nfs/dbraw/zinc/34/17/90/183341790.db2.gz RUUMOJQEQUKJPS-LBPRGKRZSA-N 1 2 231.303 1.860 20 0 BDADLO CCCNC(=O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265401494 169230934 /nfs/dbraw/zinc/23/09/34/169230934.db2.gz YFZIOVWSEZOCJE-UHFFFAOYSA-N 1 2 248.330 1.601 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3CCOC[C@H]32)c[nH]1 ZINC000366492678 183344444 /nfs/dbraw/zinc/34/44/44/183344444.db2.gz WGQWNKCLSVQYOR-VXGBXAGGSA-N 1 2 222.288 1.004 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3CCOC[C@H]32)c[nH]1 ZINC000366492678 183344447 /nfs/dbraw/zinc/34/44/47/183344447.db2.gz WGQWNKCLSVQYOR-VXGBXAGGSA-N 1 2 222.288 1.004 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CC3)ccn1 ZINC000336251075 183344749 /nfs/dbraw/zinc/34/47/49/183344749.db2.gz ULJKDHPOVWSMHE-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CC3)ccn1 ZINC000336251075 183344750 /nfs/dbraw/zinc/34/47/50/183344750.db2.gz ULJKDHPOVWSMHE-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO c1cn2c(cccc2C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000375012927 183346259 /nfs/dbraw/zinc/34/62/59/183346259.db2.gz OACOFGRNCYCKDB-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2c(cccc2C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000375012927 183346260 /nfs/dbraw/zinc/34/62/60/183346260.db2.gz OACOFGRNCYCKDB-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2c(cccc2CN2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000375012927 183346261 /nfs/dbraw/zinc/34/62/61/183346261.db2.gz OACOFGRNCYCKDB-BETUJISGSA-N 1 2 243.310 1.698 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cccc3c2OCO3)n1 ZINC000049715651 183352418 /nfs/dbraw/zinc/35/24/18/183352418.db2.gz PCNCTILLNRAUST-UHFFFAOYSA-N 1 2 231.255 1.428 20 0 BDADLO c1cn(-c2cccc(N[C@H]3CCSC3)n2)c[nH+]1 ZINC000376527280 183334693 /nfs/dbraw/zinc/33/46/93/183334693.db2.gz OONOGIKISVBCHY-JTQLQIEISA-N 1 2 246.339 1.607 20 0 BDADLO CCCNC(=O)C[N@H+](CCC)Cc1cc[nH]n1 ZINC000092192651 169220918 /nfs/dbraw/zinc/22/09/18/169220918.db2.gz ROSCWUJXCSTSCG-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO CCCNC(=O)C[N@@H+](CCC)Cc1cc[nH]n1 ZINC000092192651 169220919 /nfs/dbraw/zinc/22/09/19/169220919.db2.gz ROSCWUJXCSTSCG-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CC3)cc2c1OCC2 ZINC000338997662 183368135 /nfs/dbraw/zinc/36/81/35/183368135.db2.gz KCYCEFYDDMIVFE-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CC3)cc2c1OCC2 ZINC000338997662 183368137 /nfs/dbraw/zinc/36/81/37/183368137.db2.gz KCYCEFYDDMIVFE-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO CCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000048850475 169237448 /nfs/dbraw/zinc/23/74/48/169237448.db2.gz KEDAQKFWQRTBQD-UHFFFAOYSA-N 1 2 246.314 1.852 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560728 169240813 /nfs/dbraw/zinc/24/08/13/169240813.db2.gz OBXKAKGAYJNVJL-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560728 169240815 /nfs/dbraw/zinc/24/08/15/169240815.db2.gz OBXKAKGAYJNVJL-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000355434464 169244304 /nfs/dbraw/zinc/24/43/04/169244304.db2.gz JCGUOZUIKRLHJW-QMMMGPOBSA-N 1 2 240.269 1.785 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000355434464 169244307 /nfs/dbraw/zinc/24/43/07/169244307.db2.gz JCGUOZUIKRLHJW-QMMMGPOBSA-N 1 2 240.269 1.785 20 0 BDADLO c1cn(CCn2cc[nH+]c2)c(-c2ccccn2)n1 ZINC000367587717 183383406 /nfs/dbraw/zinc/38/34/06/183383406.db2.gz JOZCOAILWSKCSK-UHFFFAOYSA-N 1 2 239.282 1.842 20 0 BDADLO CCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000083355931 169248538 /nfs/dbraw/zinc/24/85/38/169248538.db2.gz XZLQSAKGVJKMLS-SNVBAGLBSA-N 1 2 228.242 1.491 20 0 BDADLO CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339227438 169248623 /nfs/dbraw/zinc/24/86/23/169248623.db2.gz AXCIRFIRZGNGBJ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339227438 169248624 /nfs/dbraw/zinc/24/86/24/169248624.db2.gz AXCIRFIRZGNGBJ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000372759128 169249820 /nfs/dbraw/zinc/24/98/20/169249820.db2.gz TUAIRLLXUHNLCP-GFCCVEGCSA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000372759128 169249822 /nfs/dbraw/zinc/24/98/22/169249822.db2.gz TUAIRLLXUHNLCP-GFCCVEGCSA-N 1 2 240.347 1.156 20 0 BDADLO CCC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000037386925 169285142 /nfs/dbraw/zinc/28/51/42/169285142.db2.gz GDOJPMWOTXNHNI-NSHDSACASA-N 1 2 207.273 1.900 20 0 BDADLO CCC[NH2+][C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000295315881 169274604 /nfs/dbraw/zinc/27/46/04/169274604.db2.gz YRWZWADDXFFTIA-QMMMGPOBSA-N 1 2 247.302 1.285 20 0 BDADLO CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000275669268 169279814 /nfs/dbraw/zinc/27/98/14/169279814.db2.gz FVEDKHFAQRXPAU-LBPRGKRZSA-N 1 2 239.290 1.909 20 0 BDADLO CCCOCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276575812 169306614 /nfs/dbraw/zinc/30/66/14/169306614.db2.gz IYXBCGZMAILORD-NSHDSACASA-N 1 2 239.319 1.650 20 0 BDADLO CCCSCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290988220 169336765 /nfs/dbraw/zinc/33/67/65/169336765.db2.gz WWICCDUQUSOUDA-UHFFFAOYSA-N 1 2 239.344 1.369 20 0 BDADLO CCC[C@@H](C)N(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278376691 169366569 /nfs/dbraw/zinc/36/65/69/169366569.db2.gz LIELTYOMWHHGBY-MRVPVSSYSA-N 1 2 248.334 1.570 20 0 BDADLO CCC[C@@H](C)C[N@H+](CCO)CC(F)F ZINC000194858300 169357960 /nfs/dbraw/zinc/35/79/60/169357960.db2.gz WRMHQFRMMNDVEE-SECBINFHSA-N 1 2 209.280 1.982 20 0 BDADLO CCC[C@@H](C)C[N@@H+](CCO)CC(F)F ZINC000194858300 169357962 /nfs/dbraw/zinc/35/79/62/169357962.db2.gz WRMHQFRMMNDVEE-SECBINFHSA-N 1 2 209.280 1.982 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@H]1CCSC1 ZINC000193451256 259602865 /nfs/dbraw/zinc/60/28/65/259602865.db2.gz XWHRFKKUECISRK-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000193451256 259602867 /nfs/dbraw/zinc/60/28/67/259602867.db2.gz XWHRFKKUECISRK-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO COCc1nc(C[N@H+](C(C)C)C2CC2)no1 ZINC000182403143 134344970 /nfs/dbraw/zinc/34/49/70/134344970.db2.gz ZSWBIPWLHAESFZ-UHFFFAOYSA-N 1 2 225.292 1.589 20 0 BDADLO COCc1nc(C[N@@H+](C(C)C)C2CC2)no1 ZINC000182403143 134344971 /nfs/dbraw/zinc/34/49/71/134344971.db2.gz ZSWBIPWLHAESFZ-UHFFFAOYSA-N 1 2 225.292 1.589 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cc2noc(COC)n2)C1 ZINC000182387594 134345096 /nfs/dbraw/zinc/34/50/96/134345096.db2.gz WUIGQHDSPPBIBA-JTQLQIEISA-N 1 2 239.319 1.838 20 0 BDADLO CC[C@H]1CCC[N@H+](Cc2noc(COC)n2)C1 ZINC000182387594 134345095 /nfs/dbraw/zinc/34/50/95/134345095.db2.gz WUIGQHDSPPBIBA-JTQLQIEISA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H]2CCSC2)no1 ZINC000182662176 134346693 /nfs/dbraw/zinc/34/66/93/134346693.db2.gz CDYYUFJQHKSFIZ-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H]2CCSC2)no1 ZINC000182662176 134346694 /nfs/dbraw/zinc/34/66/94/134346694.db2.gz CDYYUFJQHKSFIZ-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000162820015 169590590 /nfs/dbraw/zinc/59/05/90/169590590.db2.gz FXSNXMUOQBFZDQ-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)no1 ZINC000162820015 169590591 /nfs/dbraw/zinc/59/05/91/169590591.db2.gz FXSNXMUOQBFZDQ-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](O)CC)[C@@H](C)CC ZINC000183587470 134354483 /nfs/dbraw/zinc/35/44/83/134354483.db2.gz ADZXQAJDFJXGOW-HBNTYKKESA-N 1 2 231.336 1.325 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]cc1C)[C@H](C)CO ZINC000296466216 169646140 /nfs/dbraw/zinc/64/61/40/169646140.db2.gz ACXPZFQXCUQLRV-SNVBAGLBSA-N 1 2 237.303 1.625 20 0 BDADLO CO[C@@H]1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1(C)C ZINC000493702366 532953808 /nfs/dbraw/zinc/95/38/08/532953808.db2.gz AZCQXEFKUSRXIP-OCIBVNFRSA-N 1 2 249.314 1.353 20 0 BDADLO CO[C@@H](C)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184315338 134362491 /nfs/dbraw/zinc/36/24/91/134362491.db2.gz PFGYLORCNDLJTP-QWRGUYRKSA-N 1 2 245.363 1.977 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000088077805 383878844 /nfs/dbraw/zinc/87/88/44/383878844.db2.gz GONGOUOLUUVXSC-UHFFFAOYSA-N 1 2 249.310 1.920 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000088077805 383878850 /nfs/dbraw/zinc/87/88/50/383878850.db2.gz GONGOUOLUUVXSC-UHFFFAOYSA-N 1 2 249.310 1.920 20 0 BDADLO Cc1cnc(C[NH2+]C2(C(N)=O)CCCCC2)o1 ZINC000088545239 383908203 /nfs/dbraw/zinc/90/82/03/383908203.db2.gz WEHQVSFESIVXGF-UHFFFAOYSA-N 1 2 237.303 1.261 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CCO)no1 ZINC000050104818 383913373 /nfs/dbraw/zinc/91/33/73/383913373.db2.gz NLTUPSUINWSFIC-SNVBAGLBSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2CCO)no1 ZINC000050104818 383913377 /nfs/dbraw/zinc/91/33/77/383913377.db2.gz NLTUPSUINWSFIC-SNVBAGLBSA-N 1 2 225.292 1.115 20 0 BDADLO CN(Cc1[nH+]ccn1C)CC(F)(F)F ZINC000112346012 383919582 /nfs/dbraw/zinc/91/95/82/383919582.db2.gz BCEDWEDENAJXAZ-UHFFFAOYSA-N 1 2 207.199 1.414 20 0 BDADLO CCc1nc(C[NH+]2C3CCC2CC3)no1 ZINC000518473590 383926366 /nfs/dbraw/zinc/92/63/66/383926366.db2.gz QPAQAZCJCAJLHK-UHFFFAOYSA-N 1 2 207.277 1.759 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccn(CC)n1 ZINC000518537135 383988933 /nfs/dbraw/zinc/98/89/33/383988933.db2.gz WYXGSXGLLSOWKM-UHFFFAOYSA-N 1 2 244.298 1.535 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cccnn1 ZINC000052831164 383994705 /nfs/dbraw/zinc/99/47/05/383994705.db2.gz NPMLIPWSHLZHDA-VIFPVBQESA-N 1 2 203.249 1.174 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1nccs1 ZINC000644897244 383941822 /nfs/dbraw/zinc/94/18/22/383941822.db2.gz CJUTXDIIEYFLHA-UHFFFAOYSA-N 1 2 249.295 1.477 20 0 BDADLO FC(F)[C@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000348221649 383946378 /nfs/dbraw/zinc/94/63/78/383946378.db2.gz KDWAUXDGASMNNA-YUMQZZPRSA-N 1 2 225.242 1.841 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000334300205 383966508 /nfs/dbraw/zinc/96/65/08/383966508.db2.gz SZKKFSJFDQHGHM-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000334300205 383966510 /nfs/dbraw/zinc/96/65/10/383966510.db2.gz SZKKFSJFDQHGHM-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO CO[C@H](CNc1ccc(N(C)C)[nH+]c1)C1CC1 ZINC000400257126 384004949 /nfs/dbraw/zinc/00/49/49/384004949.db2.gz GHRWIXMYDONKBA-GFCCVEGCSA-N 1 2 235.331 1.985 20 0 BDADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000558446631 384012979 /nfs/dbraw/zinc/01/29/79/384012979.db2.gz VINVNRVVHBXDGF-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCSCC1)C2 ZINC000309602290 384045152 /nfs/dbraw/zinc/04/51/52/384045152.db2.gz KJAKPXVITPCETI-JTQLQIEISA-N 1 2 237.372 1.752 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292451147 384035605 /nfs/dbraw/zinc/03/56/05/384035605.db2.gz WWWGMKUGRNVEKJ-JTQLQIEISA-N 1 2 238.335 1.606 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccccc1F ZINC000069251487 384037311 /nfs/dbraw/zinc/03/73/11/384037311.db2.gz BFOYKCWMEJHIGH-UHFFFAOYSA-N 1 2 225.263 1.473 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccccc1F ZINC000069251487 384037312 /nfs/dbraw/zinc/03/73/12/384037312.db2.gz BFOYKCWMEJHIGH-UHFFFAOYSA-N 1 2 225.263 1.473 20 0 BDADLO Cc1cscc1C(=O)N1CC[NH+](C)CC1 ZINC000094203665 384089372 /nfs/dbraw/zinc/08/93/72/384089372.db2.gz DZKAOOCVOSXAEZ-UHFFFAOYSA-N 1 2 224.329 1.444 20 0 BDADLO CC[N@H+](CCc1ccncc1)CC(=O)OC ZINC000049949474 384069571 /nfs/dbraw/zinc/06/95/71/384069571.db2.gz JSTSBUPPHORNFM-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CC[N@@H+](CCc1ccncc1)CC(=O)OC ZINC000049949474 384069573 /nfs/dbraw/zinc/06/95/73/384069573.db2.gz JSTSBUPPHORNFM-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCOc1cc(NCc2[nH+]ccn2C)ncn1 ZINC000090793998 384076500 /nfs/dbraw/zinc/07/65/00/384076500.db2.gz WYEQEAACHRALCC-UHFFFAOYSA-N 1 2 233.275 1.221 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000050050769 384101775 /nfs/dbraw/zinc/10/17/75/384101775.db2.gz JLYAAJRNSQNIQV-JTQLQIEISA-N 1 2 225.313 1.886 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC000050050769 384101783 /nfs/dbraw/zinc/10/17/83/384101783.db2.gz JLYAAJRNSQNIQV-JTQLQIEISA-N 1 2 225.313 1.886 20 0 BDADLO CCN(CCC(=O)OC)c1cc(C)[nH+]cn1 ZINC000050085220 384105305 /nfs/dbraw/zinc/10/53/05/384105305.db2.gz OYWOYLRNAYUARX-UHFFFAOYSA-N 1 2 223.276 1.174 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000050067930 384106235 /nfs/dbraw/zinc/10/62/35/384106235.db2.gz RTXXCPLEROAGOO-UHFFFAOYSA-N 1 2 245.710 1.068 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000050067930 384106242 /nfs/dbraw/zinc/10/62/42/384106242.db2.gz RTXXCPLEROAGOO-UHFFFAOYSA-N 1 2 245.710 1.068 20 0 BDADLO CC[C@]1(C)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332693265 384119116 /nfs/dbraw/zinc/11/91/16/384119116.db2.gz KTIILMLRRUCFOL-SNVBAGLBSA-N 1 2 210.281 1.132 20 0 BDADLO CC[C@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332693265 384119119 /nfs/dbraw/zinc/11/91/19/384119119.db2.gz KTIILMLRRUCFOL-SNVBAGLBSA-N 1 2 210.281 1.132 20 0 BDADLO C[C@@H](O)[C@@H](C)SCc1[nH+]ccn1C ZINC000079039903 384123515 /nfs/dbraw/zinc/12/35/15/384123515.db2.gz LDFARGZHFNWJOE-HTQZYQBOSA-N 1 2 200.307 1.423 20 0 BDADLO CC[C@H]([NH2+]CCOCC1CCCC1)C(=O)OC ZINC000313247943 384147778 /nfs/dbraw/zinc/14/77/78/384147778.db2.gz BAXBCRMPSLLVQU-LBPRGKRZSA-N 1 2 243.347 1.734 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccccc1)C1CC1 ZINC000116876977 384157535 /nfs/dbraw/zinc/15/75/35/384157535.db2.gz KQFDSXOJEYCVAC-ZDUSSCGKSA-N 1 2 233.311 1.770 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000070983513 384145394 /nfs/dbraw/zinc/14/53/94/384145394.db2.gz KRRNDNHXWMMZBY-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000117338604 384171892 /nfs/dbraw/zinc/17/18/92/384171892.db2.gz LWNMZEOLOLVNPU-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000117338604 384171894 /nfs/dbraw/zinc/17/18/94/384171894.db2.gz LWNMZEOLOLVNPU-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CC[N@H+](CCC(=O)OC)Cc1cn[nH]c1C ZINC000092380280 384176365 /nfs/dbraw/zinc/17/63/65/384176365.db2.gz BPCNGGJRQHAFIB-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CC[N@@H+](CCC(=O)OC)Cc1cn[nH]c1C ZINC000092380280 384176370 /nfs/dbraw/zinc/17/63/70/384176370.db2.gz BPCNGGJRQHAFIB-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO COC(=O)C[N@H+](CCC(F)(F)F)C(C)C ZINC000080947057 384177792 /nfs/dbraw/zinc/17/77/92/384177792.db2.gz OHABYKRLABYKJT-UHFFFAOYSA-N 1 2 227.226 1.822 20 0 BDADLO COC(=O)C[N@@H+](CCC(F)(F)F)C(C)C ZINC000080947057 384177796 /nfs/dbraw/zinc/17/77/96/384177796.db2.gz OHABYKRLABYKJT-UHFFFAOYSA-N 1 2 227.226 1.822 20 0 BDADLO FC(F)Cn1cc(CNc2c[nH]c[nH+]2)cn1 ZINC000560509773 384179150 /nfs/dbraw/zinc/17/91/50/384179150.db2.gz YFCHXBNXAZDOPL-UHFFFAOYSA-N 1 2 227.218 1.483 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000560508949 384179590 /nfs/dbraw/zinc/17/95/90/384179590.db2.gz KNPADYCXFAJTLD-WDEREUQCSA-N 1 2 249.301 1.912 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000560508949 384179595 /nfs/dbraw/zinc/17/95/95/384179595.db2.gz KNPADYCXFAJTLD-WDEREUQCSA-N 1 2 249.301 1.912 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000558557583 384181704 /nfs/dbraw/zinc/18/17/04/384181704.db2.gz GKVPHDBZROUYKX-UWVGGRQHSA-N 1 2 221.304 1.220 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000092487424 384182558 /nfs/dbraw/zinc/18/25/58/384182558.db2.gz LXNZLBMXGSJSNE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000092487424 384182562 /nfs/dbraw/zinc/18/25/62/384182562.db2.gz LXNZLBMXGSJSNE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000071858224 384184059 /nfs/dbraw/zinc/18/40/59/384184059.db2.gz JHWJCJLJGKZMPL-SSDOTTSWSA-N 1 2 211.290 1.437 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC)o1 ZINC000093050104 384208221 /nfs/dbraw/zinc/20/82/21/384208221.db2.gz SNHORNNETJOVKJ-GFCCVEGCSA-N 1 2 236.315 1.552 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC)o1 ZINC000093050104 384208228 /nfs/dbraw/zinc/20/82/28/384208228.db2.gz SNHORNNETJOVKJ-GFCCVEGCSA-N 1 2 236.315 1.552 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCO1 ZINC000076745025 384204547 /nfs/dbraw/zinc/20/45/47/384204547.db2.gz KJAIDPDWUKSHFW-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCO1 ZINC000076745025 384204553 /nfs/dbraw/zinc/20/45/53/384204553.db2.gz KJAIDPDWUKSHFW-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO COc1ccc[nH+]c1NCc1nccn1C ZINC000159446347 384190860 /nfs/dbraw/zinc/19/08/60/384190860.db2.gz VOIAIXSEZGNNOY-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO COC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132558318 384235636 /nfs/dbraw/zinc/23/56/36/384235636.db2.gz PGPDLYGAVFTTJB-UHFFFAOYSA-N 1 2 211.286 1.279 20 0 BDADLO COC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132558318 384235639 /nfs/dbraw/zinc/23/56/39/384235639.db2.gz PGPDLYGAVFTTJB-UHFFFAOYSA-N 1 2 211.286 1.279 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000093084827 384210392 /nfs/dbraw/zinc/21/03/92/384210392.db2.gz QVQUHFPCLGIQEO-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000093084827 384210395 /nfs/dbraw/zinc/21/03/95/384210395.db2.gz QVQUHFPCLGIQEO-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2c[nH]nc2C)CCO1 ZINC000093508980 384245378 /nfs/dbraw/zinc/24/53/78/384245378.db2.gz NTGGTZFJEQKBLF-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CCO1 ZINC000093508980 384245380 /nfs/dbraw/zinc/24/53/80/384245380.db2.gz NTGGTZFJEQKBLF-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000093528441 384247284 /nfs/dbraw/zinc/24/72/84/384247284.db2.gz QOCDHWLMTYBVHR-LBPRGKRZSA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000093528441 384247291 /nfs/dbraw/zinc/24/72/91/384247291.db2.gz QOCDHWLMTYBVHR-LBPRGKRZSA-N 1 2 225.288 1.435 20 0 BDADLO Cn1cc(CCNc2cccc[nH+]2)cn1 ZINC000082687809 384257494 /nfs/dbraw/zinc/25/74/94/384257494.db2.gz PSMRTGXYQBTSOJ-UHFFFAOYSA-N 1 2 202.261 1.470 20 0 BDADLO Cc1nc(N(C)Cc2ccc(F)cc2)nc(N)[nH+]1 ZINC000385056045 384257613 /nfs/dbraw/zinc/25/76/13/384257613.db2.gz DRPMDZCPBJVLJE-UHFFFAOYSA-N 1 2 247.277 1.368 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2ccc(F)cc2)[nH+]1 ZINC000385056045 384257618 /nfs/dbraw/zinc/25/76/18/384257618.db2.gz DRPMDZCPBJVLJE-UHFFFAOYSA-N 1 2 247.277 1.368 20 0 BDADLO CC[C@H]1CC[C@H](C)N1c1nc(C)[nH+]c(N)n1 ZINC000304397232 384266757 /nfs/dbraw/zinc/26/67/57/384266757.db2.gz AFGRYPOFKMVRCZ-CBAPKCEASA-N 1 2 221.308 1.530 20 0 BDADLO CC[C@H]1CC[C@H](C)N1c1nc(N)nc(C)[nH+]1 ZINC000304397232 384266761 /nfs/dbraw/zinc/26/67/61/384266761.db2.gz AFGRYPOFKMVRCZ-CBAPKCEASA-N 1 2 221.308 1.530 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@@H]2C)nc(N)[nH+]1 ZINC000304402853 384275917 /nfs/dbraw/zinc/27/59/17/384275917.db2.gz BABPMWVLAPWFMS-IONNQARKSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000304402853 384275923 /nfs/dbraw/zinc/27/59/23/384275923.db2.gz BABPMWVLAPWFMS-IONNQARKSA-N 1 2 221.308 1.610 20 0 BDADLO O=[S@@](Cc1cn2ccccc2[nH+]1)CC1CC1 ZINC000133752251 384310620 /nfs/dbraw/zinc/31/06/20/384310620.db2.gz MYCJPHXNARPGTE-INIZCTEOSA-N 1 2 234.324 1.993 20 0 BDADLO Cc1cncc(C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000228692949 384311139 /nfs/dbraw/zinc/31/11/39/384311139.db2.gz IKCCMQZASMHASW-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cncc(C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000228692949 384311143 /nfs/dbraw/zinc/31/11/43/384311143.db2.gz IKCCMQZASMHASW-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000158872193 384282224 /nfs/dbraw/zinc/28/22/24/384282224.db2.gz ZQRKXCNWCNAQJJ-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000158872193 384282226 /nfs/dbraw/zinc/28/22/26/384282226.db2.gz ZQRKXCNWCNAQJJ-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC[C@H](C)O1 ZINC000300071012 384287957 /nfs/dbraw/zinc/28/79/57/384287957.db2.gz QZAYHXANNVUOAI-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CC[C@H](C)O1 ZINC000300071012 384287966 /nfs/dbraw/zinc/28/79/66/384287966.db2.gz QZAYHXANNVUOAI-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000011682031 384292627 /nfs/dbraw/zinc/29/26/27/384292627.db2.gz OOTZJWQSNVKBEL-ZETCQYMHSA-N 1 2 236.300 1.433 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000119732495 384298267 /nfs/dbraw/zinc/29/82/67/384298267.db2.gz LKANCXHMXXMUHE-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000119732495 384298275 /nfs/dbraw/zinc/29/82/75/384298275.db2.gz LKANCXHMXXMUHE-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cccn2C)n1 ZINC000424191690 533053661 /nfs/dbraw/zinc/05/36/61/533053661.db2.gz QSFIVLHMQWRWOQ-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO Cc1nc(N2CCOC3(CCOCC3)C2)cc[nH+]1 ZINC000133621855 384303571 /nfs/dbraw/zinc/30/35/71/384303571.db2.gz YECUVWOASHOLLJ-UHFFFAOYSA-N 1 2 249.314 1.171 20 0 BDADLO C[N@H+](CC[C@H]1CCOC1=O)Cc1cscn1 ZINC000120255489 384339724 /nfs/dbraw/zinc/33/97/24/384339724.db2.gz FYWIELPDXFGJHB-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO C[N@@H+](CC[C@H]1CCOC1=O)Cc1cscn1 ZINC000120255489 384339728 /nfs/dbraw/zinc/33/97/28/384339728.db2.gz FYWIELPDXFGJHB-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000558865766 384345067 /nfs/dbraw/zinc/34/50/67/384345067.db2.gz MPJYTSUJTQPMGB-ZETCQYMHSA-N 1 2 233.218 1.192 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000558865766 384345071 /nfs/dbraw/zinc/34/50/71/384345071.db2.gz MPJYTSUJTQPMGB-ZETCQYMHSA-N 1 2 233.218 1.192 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000084081577 384361521 /nfs/dbraw/zinc/36/15/21/384361521.db2.gz REMSMPNVRFXPOQ-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000084081577 384361529 /nfs/dbraw/zinc/36/15/29/384361529.db2.gz REMSMPNVRFXPOQ-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000084081737 384362505 /nfs/dbraw/zinc/36/25/05/384362505.db2.gz VAVVSTDYHAMJMV-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000084081737 384362514 /nfs/dbraw/zinc/36/25/14/384362514.db2.gz VAVVSTDYHAMJMV-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO COC(=O)[C@H](C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000084092924 384365298 /nfs/dbraw/zinc/36/52/98/384365298.db2.gz OWQHWGCWPNQUCT-KKZNHRDASA-N 1 2 227.304 1.047 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)c1cccs1 ZINC000120043793 384326479 /nfs/dbraw/zinc/32/64/79/384326479.db2.gz KRDPDMMPTPJBIA-CQSZACIVSA-N 1 2 226.326 1.789 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000304494379 384329629 /nfs/dbraw/zinc/32/96/29/384329629.db2.gz PPRHVQYTHAOLGC-IONNQARKSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H](C)C2)[nH+]1 ZINC000304494379 384329633 /nfs/dbraw/zinc/32/96/33/384329633.db2.gz PPRHVQYTHAOLGC-IONNQARKSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N2CC[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000304504813 384334496 /nfs/dbraw/zinc/33/44/96/384334496.db2.gz QRKWPNXIQUXQQW-SECBINFHSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C(C)C)C2)[nH+]1 ZINC000304504813 384334504 /nfs/dbraw/zinc/33/45/04/384334504.db2.gz QRKWPNXIQUXQQW-SECBINFHSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N[C@H](C)CC(F)(F)F)nc(N)[nH+]1 ZINC000304550610 384397001 /nfs/dbraw/zinc/39/70/01/384397001.db2.gz XIKWBIVWRSITSB-SCSAIBSYSA-N 1 2 235.213 1.515 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)CC(F)(F)F)[nH+]1 ZINC000304550610 384397007 /nfs/dbraw/zinc/39/70/07/384397007.db2.gz XIKWBIVWRSITSB-SCSAIBSYSA-N 1 2 235.213 1.515 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccon1 ZINC000077313785 384401198 /nfs/dbraw/zinc/40/11/98/384401198.db2.gz LFPPSFLTHUOWFL-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccon1 ZINC000077313785 384401201 /nfs/dbraw/zinc/40/12/01/384401201.db2.gz LFPPSFLTHUOWFL-GFCCVEGCSA-N 1 2 224.304 1.922 20 0 BDADLO C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)C[C@H]1F ZINC000335631962 384408216 /nfs/dbraw/zinc/40/82/16/384408216.db2.gz FFRYBYDYDANHAV-XCBNKYQSSA-N 1 2 209.224 1.181 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)C[C@H]2CCCO2)on1 ZINC000566415328 384410083 /nfs/dbraw/zinc/41/00/83/384410083.db2.gz BPUBHGVYVINMBI-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)C[C@H]2CCCO2)on1 ZINC000566415328 384410086 /nfs/dbraw/zinc/41/00/86/384410086.db2.gz BPUBHGVYVINMBI-SNVBAGLBSA-N 1 2 238.287 1.488 20 0 BDADLO Cc1cc(NCC2CC(F)(F)C2)nc[nH+]1 ZINC000335602272 384376584 /nfs/dbraw/zinc/37/65/84/384376584.db2.gz AFZZBEPLSYFIDH-UHFFFAOYSA-N 1 2 213.231 1.664 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000331615525 384386493 /nfs/dbraw/zinc/38/64/93/384386493.db2.gz JGXLZOPMXNVRCU-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC[C@H](O)CC1 ZINC000331615525 384386498 /nfs/dbraw/zinc/38/64/98/384386498.db2.gz JGXLZOPMXNVRCU-NSHDSACASA-N 1 2 238.335 1.206 20 0 BDADLO COC(=O)[C@]1(C)C[N@H+](CC(F)F)C[C@H]1C ZINC000370543224 384389731 /nfs/dbraw/zinc/38/97/31/384389731.db2.gz GTIVVZMQTAHACT-GMSGAONNSA-N 1 2 221.247 1.383 20 0 BDADLO COC(=O)[C@]1(C)C[N@@H+](CC(F)F)C[C@H]1C ZINC000370543224 384389736 /nfs/dbraw/zinc/38/97/36/384389736.db2.gz GTIVVZMQTAHACT-GMSGAONNSA-N 1 2 221.247 1.383 20 0 BDADLO CCO[C@H]1C[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000357941365 384452792 /nfs/dbraw/zinc/45/27/92/384452792.db2.gz YPCSSKBDBLVGAH-UWVGGRQHSA-N 1 2 248.286 1.286 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1CCOC1 ZINC000135253312 384428646 /nfs/dbraw/zinc/42/86/46/384428646.db2.gz PAYVTQNLAWOCAM-IUCAKERBSA-N 1 2 247.302 1.200 20 0 BDADLO C[C@@H](F)CCNC(=O)CCCn1cc[nH+]c1 ZINC000647267357 384432530 /nfs/dbraw/zinc/43/25/30/384432530.db2.gz ILZYRSSOVCOWIB-SNVBAGLBSA-N 1 2 227.283 1.528 20 0 BDADLO COc1ncccc1COCc1[nH]cc[nH+]1 ZINC000180057039 384435813 /nfs/dbraw/zinc/43/58/13/384435813.db2.gz BFALKMZPIHGIGA-UHFFFAOYSA-N 1 2 219.244 1.530 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000082784228 384440773 /nfs/dbraw/zinc/44/07/73/384440773.db2.gz INUAHAKOWJDEJP-WDEREUQCSA-N 1 2 223.320 1.703 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H](O)C2)c(C)c[nH+]1 ZINC000521388453 384440939 /nfs/dbraw/zinc/44/09/39/384440939.db2.gz OVXOCSLMFIIEEC-NSHDSACASA-N 1 2 249.314 1.109 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)cn2)[C@@H]1C ZINC000568164356 384441649 /nfs/dbraw/zinc/44/16/49/384441649.db2.gz QOJQKJWJNDVWCH-GHMZBOCLSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)cn2)[C@@H]1C ZINC000568164356 384441651 /nfs/dbraw/zinc/44/16/51/384441651.db2.gz QOJQKJWJNDVWCH-GHMZBOCLSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccn1 ZINC000036900136 384460827 /nfs/dbraw/zinc/46/08/27/384460827.db2.gz ZQOPQEYAGJHIJI-SECBINFHSA-N 1 2 202.261 1.656 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC12CCC(CC1)C2 ZINC000368174242 384466741 /nfs/dbraw/zinc/46/67/41/384466741.db2.gz PKNOFCKRNDDUPB-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000556748137 384472093 /nfs/dbraw/zinc/47/20/93/384472093.db2.gz HLBJPNHRLIWOOA-MNOVXSKESA-N 1 2 221.304 1.388 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1CC1)C1CC1 ZINC000556784038 384481683 /nfs/dbraw/zinc/48/16/83/384481683.db2.gz JRMBBFDWPFBSEG-LLVKDONJSA-N 1 2 248.330 1.580 20 0 BDADLO CCCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047595900 384458252 /nfs/dbraw/zinc/45/82/52/384458252.db2.gz ZTJGBJBONOEMMJ-JTQLQIEISA-N 1 2 224.308 1.371 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249375959 384499606 /nfs/dbraw/zinc/49/96/06/384499606.db2.gz PRGCZYUBVMQXDM-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249375959 384499612 /nfs/dbraw/zinc/49/96/12/384499612.db2.gz PRGCZYUBVMQXDM-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO COC(=O)[C@H](C)CSCCn1cc[nH+]c1 ZINC000085161898 384507364 /nfs/dbraw/zinc/50/73/64/384507364.db2.gz XZWJLOAKLXRWFW-SECBINFHSA-N 1 2 228.317 1.425 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccn1C ZINC000161669231 384514725 /nfs/dbraw/zinc/51/47/25/384514725.db2.gz OFDIWLICNPASJI-UHFFFAOYSA-N 1 2 246.314 1.384 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)/C=C\C1CC1 ZINC000492804206 533072419 /nfs/dbraw/zinc/07/24/19/533072419.db2.gz WTQITKXFCRVPMR-PLNGDYQASA-N 1 2 232.283 1.673 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCNC(=O)C2)c(C)c1 ZINC000049153999 384521669 /nfs/dbraw/zinc/52/16/69/384521669.db2.gz YUSYJSGCAMVDQP-UHFFFAOYSA-N 1 2 232.327 1.544 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCNC(=O)C2)c(C)c1 ZINC000049153999 384521675 /nfs/dbraw/zinc/52/16/75/384521675.db2.gz YUSYJSGCAMVDQP-UHFFFAOYSA-N 1 2 232.327 1.544 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC=CCC1 ZINC000080120535 384530830 /nfs/dbraw/zinc/53/08/30/384530830.db2.gz QDGOUHQBPFRJNK-SECBINFHSA-N 1 2 229.287 1.884 20 0 BDADLO Cc1ccsc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000123490861 384562840 /nfs/dbraw/zinc/56/28/40/384562840.db2.gz CGISNHUMQGHTMN-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccsc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000123490861 384562848 /nfs/dbraw/zinc/56/28/48/384562848.db2.gz CGISNHUMQGHTMN-VIFPVBQESA-N 1 2 224.329 1.377 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCSC)[C@H](C)CC ZINC000183571805 384541050 /nfs/dbraw/zinc/54/10/50/384541050.db2.gz AZVKJQLWDYVBHQ-ZJUUUORDSA-N 1 2 233.377 1.917 20 0 BDADLO Cc1nc(NC[C@H]2Cc3ccccc32)nc(N)[nH+]1 ZINC000306119873 384572353 /nfs/dbraw/zinc/57/23/53/384572353.db2.gz ZIPLPOQRBMIYTH-SNVBAGLBSA-N 1 2 241.298 1.514 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2Cc3ccccc32)[nH+]1 ZINC000306119873 384572357 /nfs/dbraw/zinc/57/23/57/384572357.db2.gz ZIPLPOQRBMIYTH-SNVBAGLBSA-N 1 2 241.298 1.514 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+](Cc3ccon3)C2)n1 ZINC000172386037 384577354 /nfs/dbraw/zinc/57/73/54/384577354.db2.gz RPZKLUBRIOYROI-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+](Cc3ccon3)C2)n1 ZINC000172386037 384577357 /nfs/dbraw/zinc/57/73/57/384577357.db2.gz RPZKLUBRIOYROI-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)noc1C ZINC000050048836 384587547 /nfs/dbraw/zinc/58/75/47/384587547.db2.gz BFOACIISNBRWDY-NSHDSACASA-N 1 2 238.287 1.429 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)noc1C ZINC000050048836 384587555 /nfs/dbraw/zinc/58/75/55/384587555.db2.gz BFOACIISNBRWDY-NSHDSACASA-N 1 2 238.287 1.429 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1ccon1 ZINC000172654010 384614373 /nfs/dbraw/zinc/61/43/73/384614373.db2.gz SLFBSHQSBDJFFH-UHFFFAOYSA-N 1 2 206.249 1.003 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1ccon1 ZINC000172654010 384614382 /nfs/dbraw/zinc/61/43/82/384614382.db2.gz SLFBSHQSBDJFFH-UHFFFAOYSA-N 1 2 206.249 1.003 20 0 BDADLO Cc1cnc(N[C@H](C)Cn2cc[nH+]c2)nc1C ZINC000271660660 384629326 /nfs/dbraw/zinc/62/93/26/384629326.db2.gz UYFSVLAHCUMJFA-SNVBAGLBSA-N 1 2 231.303 1.791 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000363927811 384667693 /nfs/dbraw/zinc/66/76/93/384667693.db2.gz YNTNSILWRSXTTN-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cncc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000363927811 384667700 /nfs/dbraw/zinc/66/77/00/384667700.db2.gz YNTNSILWRSXTTN-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ncc(Cl)n1C ZINC000162507950 384636457 /nfs/dbraw/zinc/63/64/57/384636457.db2.gz YINNYDLIBWIPOE-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO C[C@H](CCc1ccco1)[NH2+]CC(F)(F)CO ZINC000184695261 384637457 /nfs/dbraw/zinc/63/74/57/384637457.db2.gz PCGJFIFCXGIRNV-SECBINFHSA-N 1 2 233.258 1.818 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)c1cccc(CO)c1 ZINC000184696219 384639637 /nfs/dbraw/zinc/63/96/37/384639637.db2.gz AZCIQVMPQAYATE-VIFPVBQESA-N 1 2 245.269 1.457 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1CCC[C@H](O)C1 ZINC000050683139 384640170 /nfs/dbraw/zinc/64/01/70/384640170.db2.gz HFDPLCBKYSJDDW-VIFPVBQESA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1CCC[C@H](O)C1 ZINC000050683139 384640176 /nfs/dbraw/zinc/64/01/76/384640176.db2.gz HFDPLCBKYSJDDW-VIFPVBQESA-N 1 2 239.271 1.023 20 0 BDADLO CCC[C@@](C)(O)C(=O)Nc1c[nH+]ccc1OC ZINC000124628034 384659107 /nfs/dbraw/zinc/65/91/07/384659107.db2.gz JVVOPBHNCDBTKN-GFCCVEGCSA-N 1 2 238.287 1.580 20 0 BDADLO CCC1(NC(=O)NCc2c[nH+]cn2C)CCC1 ZINC000360112577 384660519 /nfs/dbraw/zinc/66/05/19/384660519.db2.gz ZGAAQBPEQIWTGQ-UHFFFAOYSA-N 1 2 236.319 1.552 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000556957261 384684042 /nfs/dbraw/zinc/68/40/42/384684042.db2.gz KFJRTJISMABIEV-GXFFZTMASA-N 1 2 236.290 1.431 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000556957261 384684049 /nfs/dbraw/zinc/68/40/49/384684049.db2.gz KFJRTJISMABIEV-GXFFZTMASA-N 1 2 236.290 1.431 20 0 BDADLO c1cncc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000367602351 384684650 /nfs/dbraw/zinc/68/46/50/384684650.db2.gz IVVLKMWRRBYHSH-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000367602351 384684655 /nfs/dbraw/zinc/68/46/55/384684655.db2.gz IVVLKMWRRBYHSH-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000367602349 384685817 /nfs/dbraw/zinc/68/58/17/384685817.db2.gz IVVLKMWRRBYHSH-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000367602349 384685824 /nfs/dbraw/zinc/68/58/24/384685824.db2.gz IVVLKMWRRBYHSH-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO CCC[C@@](C)([NH2+]CCCCO)C(=O)OC ZINC000309227360 384687519 /nfs/dbraw/zinc/68/75/19/384687519.db2.gz WFMBJSLCLCTUQA-LLVKDONJSA-N 1 2 217.309 1.080 20 0 BDADLO Cc1cc(C(=O)N2CCn3cc(C)[nH+]c3C2)on1 ZINC000363696560 384702463 /nfs/dbraw/zinc/70/24/63/384702463.db2.gz GCXQKSKAKLOHQT-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000309908152 384715745 /nfs/dbraw/zinc/71/57/45/384715745.db2.gz LHVPFZDIJBYSIS-JTQLQIEISA-N 1 2 220.320 1.044 20 0 BDADLO COC[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000309924930 384719388 /nfs/dbraw/zinc/71/93/88/384719388.db2.gz UVAFKEZFMMPKTI-SSDOTTSWSA-N 1 2 220.276 1.713 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2(CC)CC2)[nH+]1 ZINC000635655859 384777498 /nfs/dbraw/zinc/77/74/98/384777498.db2.gz YKUFRAZCXVCCGV-UHFFFAOYSA-N 1 2 235.331 1.821 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000125584465 384729907 /nfs/dbraw/zinc/72/99/07/384729907.db2.gz PQUNQTXKRMFGKN-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000125584465 384729912 /nfs/dbraw/zinc/72/99/12/384729912.db2.gz PQUNQTXKRMFGKN-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO COc1ncc(C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000643885028 384730154 /nfs/dbraw/zinc/73/01/54/384730154.db2.gz HPUNMGTWWNKETA-RKDXNWHRSA-N 1 2 242.344 1.761 20 0 BDADLO c1ccc2sc([C@@H]3COCC[NH2+]3)nc2c1 ZINC000083016960 384737486 /nfs/dbraw/zinc/73/74/86/384737486.db2.gz HTRYLKRMWMMOGW-VIFPVBQESA-N 1 2 220.297 1.957 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000620077252 384740281 /nfs/dbraw/zinc/74/02/81/384740281.db2.gz CVNFPHULFSRSJF-HZMBPMFUSA-N 1 2 247.342 1.750 20 0 BDADLO Nc1[nH+]cnc(NCCCCF)c1Cl ZINC000308487465 384744398 /nfs/dbraw/zinc/74/43/98/384744398.db2.gz OCDGHFOMHCXKFZ-UHFFFAOYSA-N 1 2 218.663 1.874 20 0 BDADLO Nc1nc[nH+]c(NCCCCF)c1Cl ZINC000308487465 384744404 /nfs/dbraw/zinc/74/44/04/384744404.db2.gz OCDGHFOMHCXKFZ-UHFFFAOYSA-N 1 2 218.663 1.874 20 0 BDADLO COC[C@H]([NH2+]CC(=O)OC(C)(C)C)C1CC1 ZINC000151760277 384752072 /nfs/dbraw/zinc/75/20/72/384752072.db2.gz VMVXRKKIBCEOIS-JTQLQIEISA-N 1 2 229.320 1.343 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](CCC(F)(F)F)[C@@H]12 ZINC000363732395 384752778 /nfs/dbraw/zinc/75/27/78/384752778.db2.gz CMKNLRVKHVAODF-JGVFFNPUSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](CCC(F)(F)F)[C@@H]12 ZINC000363732395 384752783 /nfs/dbraw/zinc/75/27/83/384752783.db2.gz CMKNLRVKHVAODF-JGVFFNPUSA-N 1 2 237.221 1.576 20 0 BDADLO Cc1ccc(C[N@H+](C)CCCS(C)(=O)=O)o1 ZINC000103138792 384753058 /nfs/dbraw/zinc/75/30/58/384753058.db2.gz NEQDAJGLVPLIMW-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO Cc1ccc(C[N@@H+](C)CCCS(C)(=O)=O)o1 ZINC000103138792 384753067 /nfs/dbraw/zinc/75/30/67/384753067.db2.gz NEQDAJGLVPLIMW-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO CC(C)(C[NH3+])NC(=O)c1cc(F)c(O)c(F)c1 ZINC000335026308 384801329 /nfs/dbraw/zinc/80/13/29/384801329.db2.gz YNVGAPMVDWPAPE-UHFFFAOYSA-N 1 2 244.241 1.138 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)COC(C)C)C(=O)OC ZINC000310041367 384814175 /nfs/dbraw/zinc/81/41/75/384814175.db2.gz YNVIOBHNLFOZGP-GHMZBOCLSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000186736649 384871734 /nfs/dbraw/zinc/87/17/34/384871734.db2.gz QTAUYIRDXPBNTO-VIFPVBQESA-N 1 2 223.276 1.282 20 0 BDADLO CC[C@](C)([NH2+]Cc1nc(C)c(C)o1)C(N)=O ZINC000177128814 384875711 /nfs/dbraw/zinc/87/57/11/384875711.db2.gz FOQFVLCQFWLTON-NSHDSACASA-N 1 2 225.292 1.035 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2(CO)CC2)oc1C ZINC000186778886 384879492 /nfs/dbraw/zinc/87/94/92/384879492.db2.gz CCHKOAJYRSACBW-UHFFFAOYSA-N 1 2 224.304 1.496 20 0 BDADLO Cc1nc(C[N@H+](C)CC2(CO)CC2)oc1C ZINC000186778886 384879498 /nfs/dbraw/zinc/87/94/98/384879498.db2.gz CCHKOAJYRSACBW-UHFFFAOYSA-N 1 2 224.304 1.496 20 0 BDADLO CCC(CC)[C@H](O)CNc1cc(C)[nH+]cn1 ZINC000225745511 384887402 /nfs/dbraw/zinc/88/74/02/384887402.db2.gz QMIXPQHVHZABBA-LLVKDONJSA-N 1 2 223.320 1.994 20 0 BDADLO C[C@@H](N[C@@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000335277490 384888238 /nfs/dbraw/zinc/88/82/38/384888238.db2.gz IDDQVQJHPRRFAD-RNFRBKRXSA-N 1 2 219.210 1.868 20 0 BDADLO Cc1csc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000336239688 384845859 /nfs/dbraw/zinc/84/58/59/384845859.db2.gz HNWPODFPMIVINS-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1csc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000336239688 384845872 /nfs/dbraw/zinc/84/58/72/384845872.db2.gz HNWPODFPMIVINS-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000104943674 384851419 /nfs/dbraw/zinc/85/14/19/384851419.db2.gz XFSDJXCIHRJVJI-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000104943674 384851423 /nfs/dbraw/zinc/85/14/23/384851423.db2.gz XFSDJXCIHRJVJI-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000112336521 384852662 /nfs/dbraw/zinc/85/26/62/384852662.db2.gz HUEWHYBVIMWHTO-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000112336521 384852670 /nfs/dbraw/zinc/85/26/70/384852670.db2.gz HUEWHYBVIMWHTO-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1nnc[nH]1 ZINC000177153547 384888846 /nfs/dbraw/zinc/88/88/46/384888846.db2.gz CAKVHWWTMYHLMF-UHFFFAOYSA-N 1 2 212.297 1.052 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000177153547 384888852 /nfs/dbraw/zinc/88/88/52/384888852.db2.gz CAKVHWWTMYHLMF-UHFFFAOYSA-N 1 2 212.297 1.052 20 0 BDADLO CSCCN1CC[NH+](CCOC(C)C)CC1 ZINC000175291354 384888990 /nfs/dbraw/zinc/88/89/90/384888990.db2.gz XPZQTRWVJUEWMA-UHFFFAOYSA-N 1 2 246.420 1.392 20 0 BDADLO COC(=O)CCCCNc1cc(C)[nH+]cn1 ZINC000301251411 384862243 /nfs/dbraw/zinc/86/22/43/384862243.db2.gz RZMHJARZSOXULE-UHFFFAOYSA-N 1 2 223.276 1.540 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2C3CCC2CC3)on1 ZINC000648212237 384867956 /nfs/dbraw/zinc/86/79/56/384867956.db2.gz LQRNKONEIWIYMY-UHFFFAOYSA-N 1 2 235.287 1.548 20 0 BDADLO COC[C@@H](C)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494367 384953522 /nfs/dbraw/zinc/95/35/22/384953522.db2.gz XILGHIVQQPPKJO-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)c1nnc(C[NH+]2CCC(C)(O)CC2)o1 ZINC000177329372 384954844 /nfs/dbraw/zinc/95/48/44/384954844.db2.gz PFSPKRQWPDUIKB-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CC(C2CC2)C1 ZINC000642936355 384957373 /nfs/dbraw/zinc/95/73/73/384957373.db2.gz JJHHEDOGGXDCET-UHFFFAOYSA-N 1 2 248.330 1.325 20 0 BDADLO O=[S@@]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309498176 384893124 /nfs/dbraw/zinc/89/31/24/384893124.db2.gz KUCBQHYXOBQEAP-XXFAHNHDSA-N 1 2 237.328 1.287 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC=CCC1 ZINC000291782572 384900714 /nfs/dbraw/zinc/90/07/14/384900714.db2.gz GEKNETRIHLTIQC-LLVKDONJSA-N 1 2 248.330 1.576 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H]2CO)n1 ZINC000335559594 384902602 /nfs/dbraw/zinc/90/26/02/384902602.db2.gz PPMIZELZMSWXQH-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H]2CO)n1 ZINC000335559594 384902610 /nfs/dbraw/zinc/90/26/10/384902610.db2.gz PPMIZELZMSWXQH-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@H](C[N@@H+]1CCC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336267547 384903577 /nfs/dbraw/zinc/90/35/77/384903577.db2.gz WPBHNXRTPYZVQA-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@H](C[N@H+]1CCC[C@@](C)(F)C1)S(C)(=O)=O ZINC000336267547 384903588 /nfs/dbraw/zinc/90/35/88/384903588.db2.gz WPBHNXRTPYZVQA-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000336272827 384918366 /nfs/dbraw/zinc/91/83/66/384918366.db2.gz CXOBQWQGDIFBJM-VXGBXAGGSA-N 1 2 247.404 1.788 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CCS(=O)(=O)C[C@H](C)C1 ZINC000336272827 384918373 /nfs/dbraw/zinc/91/83/73/384918373.db2.gz CXOBQWQGDIFBJM-VXGBXAGGSA-N 1 2 247.404 1.788 20 0 BDADLO COc1ncccc1NCc1c[nH+]cn1C ZINC000085168616 384925504 /nfs/dbraw/zinc/92/55/04/384925504.db2.gz JWYRVULDMAWMHK-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO CCC1(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000175618235 384934166 /nfs/dbraw/zinc/93/41/66/384934166.db2.gz LYJNCSYMRHDISB-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO CCCCNC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127792142 384944341 /nfs/dbraw/zinc/94/43/41/384944341.db2.gz DCQVRAHZSKVAQC-GFCCVEGCSA-N 1 2 249.358 1.991 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127792142 384944346 /nfs/dbraw/zinc/94/43/46/384944346.db2.gz DCQVRAHZSKVAQC-GFCCVEGCSA-N 1 2 249.358 1.991 20 0 BDADLO C[C@@H]1C[C@H](Nc2ccc(N(C)CCO)c[nH+]2)[C@H]1C ZINC000644541430 384947949 /nfs/dbraw/zinc/94/79/49/384947949.db2.gz FWUSYUMOWYVFGZ-MDZLAQPJSA-N 1 2 249.358 1.967 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000179577058 384968071 /nfs/dbraw/zinc/96/80/71/384968071.db2.gz VRHCXBYNQUONAS-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000179577058 384968076 /nfs/dbraw/zinc/96/80/76/384968076.db2.gz VRHCXBYNQUONAS-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO CCc1cc(N)nc(SCCCCCO)[nH+]1 ZINC000279148205 384968376 /nfs/dbraw/zinc/96/83/76/384968376.db2.gz ZNEFHBVHDLKOSA-UHFFFAOYSA-N 1 2 241.360 1.876 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568651718 384976239 /nfs/dbraw/zinc/97/62/39/384976239.db2.gz HKHRABQPQNTVQA-OPRDCNLKSA-N 1 2 221.304 1.879 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccns2)on1 ZINC000404405693 384977867 /nfs/dbraw/zinc/97/78/67/384977867.db2.gz CZPICOBNZCLCNF-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000086166489 384995865 /nfs/dbraw/zinc/99/58/65/384995865.db2.gz SJROJEZEETXTHL-JTQLQIEISA-N 1 2 224.308 1.321 20 0 BDADLO CCn1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cn1 ZINC000557514657 384997262 /nfs/dbraw/zinc/99/72/62/384997262.db2.gz OQLCVBGWLQRKME-SNVBAGLBSA-N 1 2 236.319 1.182 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccns2)s1 ZINC000404455107 384999077 /nfs/dbraw/zinc/99/90/77/384999077.db2.gz LOHASWRZGLBXHY-UHFFFAOYSA-N 1 2 240.357 1.847 20 0 BDADLO CO[C@]1(CNc2cc[nH+]c(C)n2)CCOC1 ZINC000156881569 385005209 /nfs/dbraw/zinc/00/52/09/385005209.db2.gz OGNOSLGNBMDNKL-NSHDSACASA-N 1 2 223.276 1.002 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccns2)nn1 ZINC000404471695 385016752 /nfs/dbraw/zinc/01/67/52/385016752.db2.gz ZMLXCTMKJYHQGC-UHFFFAOYSA-N 1 2 223.305 1.044 20 0 BDADLO CCCN(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000518397661 385051338 /nfs/dbraw/zinc/05/13/38/385051338.db2.gz QDZYSOOBRNCAIL-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H]([C@H](C)O)C2)[nH]1 ZINC000408373301 385051556 /nfs/dbraw/zinc/05/15/56/385051556.db2.gz GGKKWPSSNBMSIO-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)[nH]1 ZINC000408373301 385051562 /nfs/dbraw/zinc/05/15/62/385051562.db2.gz GGKKWPSSNBMSIO-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCCC1(F)F)S(C)(=O)=O ZINC000644647824 385052986 /nfs/dbraw/zinc/05/29/86/385052986.db2.gz OGRHSQDUCTYNTK-SFYZADRCSA-N 1 2 241.303 1.197 20 0 BDADLO O=C(NC[C@@H]1CCCO1)c1ccc2[nH+]ccn2c1 ZINC000057823446 385068253 /nfs/dbraw/zinc/06/82/53/385068253.db2.gz YJOSDLXJSAVZAF-NSHDSACASA-N 1 2 245.282 1.243 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000309982576 385073268 /nfs/dbraw/zinc/07/32/68/385073268.db2.gz HYGJWOGYZSYHPW-UWVGGRQHSA-N 1 2 239.319 1.223 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000309982576 385073276 /nfs/dbraw/zinc/07/32/76/385073276.db2.gz HYGJWOGYZSYHPW-UWVGGRQHSA-N 1 2 239.319 1.223 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000644620048 385028452 /nfs/dbraw/zinc/02/84/52/385028452.db2.gz ZQKKPYLTHGXGPQ-INJWIWPUSA-N 1 2 245.326 1.906 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000644620048 385028460 /nfs/dbraw/zinc/02/84/60/385028460.db2.gz ZQKKPYLTHGXGPQ-INJWIWPUSA-N 1 2 245.326 1.906 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC2(CCC2)C1 ZINC000291877647 385033753 /nfs/dbraw/zinc/03/37/53/385033753.db2.gz KZJWWZHQCYOREB-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO COC[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176185439 385034246 /nfs/dbraw/zinc/03/42/46/385034246.db2.gz LWLKNQRKMMBGKG-MRVPVSSYSA-N 1 2 222.288 1.919 20 0 BDADLO Cc1cc(N[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000052005932 385112999 /nfs/dbraw/zinc/11/29/99/385112999.db2.gz WZKRBXFYYKCEGV-NXEZZACHSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1nc(N[C@@H]2CC=CCC2)nc(N)[nH+]1 ZINC000308793251 385117076 /nfs/dbraw/zinc/11/70/76/385117076.db2.gz DNKJMLKUCVBEIU-MRVPVSSYSA-N 1 2 205.265 1.283 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC=CCC2)[nH+]1 ZINC000308793251 385117083 /nfs/dbraw/zinc/11/70/83/385117083.db2.gz DNKJMLKUCVBEIU-MRVPVSSYSA-N 1 2 205.265 1.283 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CCCCO2)c1Cl ZINC000236392375 385117898 /nfs/dbraw/zinc/11/78/98/385117898.db2.gz FKXFZOMQKMVIOR-SSDOTTSWSA-N 1 2 242.710 1.693 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CCCCO2)c1Cl ZINC000236392375 385117901 /nfs/dbraw/zinc/11/79/01/385117901.db2.gz FKXFZOMQKMVIOR-SSDOTTSWSA-N 1 2 242.710 1.693 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000227346744 385129325 /nfs/dbraw/zinc/12/93/25/385129325.db2.gz CVSNWNJAECWSCF-UHFFFAOYSA-N 1 2 231.336 1.467 20 0 BDADLO Cn1cccc1CNc1ccc(CO)c[nH+]1 ZINC000291665809 385129551 /nfs/dbraw/zinc/12/95/51/385129551.db2.gz VXEFHOGCCXJSNY-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO C(c1nnnn1C1CC1)[NH+]1CCC(C2CC2)CC1 ZINC000644718943 385138508 /nfs/dbraw/zinc/13/85/08/385138508.db2.gz KXMBMQOTAGDHCM-UHFFFAOYSA-N 1 2 247.346 1.630 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000644668858 385086395 /nfs/dbraw/zinc/08/63/95/385086395.db2.gz JMVSBKCLHNEKBC-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000644668858 385086399 /nfs/dbraw/zinc/08/63/99/385086399.db2.gz JMVSBKCLHNEKBC-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000068556343 385096006 /nfs/dbraw/zinc/09/60/06/385096006.db2.gz KTCNVQUMEIJVHM-UHFFFAOYSA-N 1 2 222.292 1.203 20 0 BDADLO Cc1ccc(NC(=O)NC2CCOCC2)c(C)[nH+]1 ZINC000176707907 385140920 /nfs/dbraw/zinc/14/09/20/385140920.db2.gz RUKLYFXDDIEHPP-UHFFFAOYSA-N 1 2 249.314 1.999 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1cccs1 ZINC000151335518 385105095 /nfs/dbraw/zinc/10/50/95/385105095.db2.gz SLKLDBWWJAHCGM-SNVBAGLBSA-N 1 2 249.339 1.865 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000255878311 385105911 /nfs/dbraw/zinc/10/59/11/385105911.db2.gz NZAGICJEOKDWJE-ARJAWSKDSA-N 1 2 237.274 1.944 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000255878311 385105915 /nfs/dbraw/zinc/10/59/15/385105915.db2.gz NZAGICJEOKDWJE-ARJAWSKDSA-N 1 2 237.274 1.944 20 0 BDADLO Cc1csc([C@H](C)[NH2+]Cc2cnnn2C)n1 ZINC000129742711 385182695 /nfs/dbraw/zinc/18/26/95/385182695.db2.gz VURSQFUBQYGNGY-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1cncc(C[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000189771527 385184915 /nfs/dbraw/zinc/18/49/15/385184915.db2.gz SKZPOBDOLYDPMA-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1cncc(C[N@H+](C)CC(=O)NC(C)C)c1 ZINC000189771527 385184926 /nfs/dbraw/zinc/18/49/26/385184926.db2.gz SKZPOBDOLYDPMA-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000189798697 385187287 /nfs/dbraw/zinc/18/72/87/385187287.db2.gz OSLJONGSYCBUOP-CYBMUJFWSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000189798697 385187294 /nfs/dbraw/zinc/18/72/94/385187294.db2.gz OSLJONGSYCBUOP-CYBMUJFWSA-N 1 2 247.342 1.428 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nnnn1C ZINC000189840449 385191167 /nfs/dbraw/zinc/19/11/67/385191167.db2.gz CQUNCHLNOLAMFA-IUCAKERBSA-N 1 2 247.302 1.328 20 0 BDADLO CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000152583216 385194038 /nfs/dbraw/zinc/19/40/38/385194038.db2.gz LKOFAOBDJKUZNN-ZDUSSCGKSA-N 1 2 248.326 1.196 20 0 BDADLO CCOCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000152583216 385194045 /nfs/dbraw/zinc/19/40/45/385194045.db2.gz LKOFAOBDJKUZNN-ZDUSSCGKSA-N 1 2 248.326 1.196 20 0 BDADLO Cc1cncc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000189883922 385194954 /nfs/dbraw/zinc/19/49/54/385194954.db2.gz PJFPDSCPDKPKFZ-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cncc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000189883922 385194960 /nfs/dbraw/zinc/19/49/60/385194960.db2.gz PJFPDSCPDKPKFZ-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO C[C@H]1[C@H](C(=O)NCCCn2cc[nH+]c2)C1(F)F ZINC000359266404 385143775 /nfs/dbraw/zinc/14/37/75/385143775.db2.gz VGHWRMRAZODCQP-DTWKUNHWSA-N 1 2 243.257 1.291 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052454 385149980 /nfs/dbraw/zinc/14/99/80/385149980.db2.gz ROOGCVIYHYZNBF-ZJUUUORDSA-N 1 2 239.290 1.908 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]Cc2c[nH]nc2C)o1 ZINC000227555962 385157908 /nfs/dbraw/zinc/15/79/08/385157908.db2.gz UQWGGBNHIPLENJ-SECBINFHSA-N 1 2 220.276 1.865 20 0 BDADLO COCC[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363105767 385158172 /nfs/dbraw/zinc/15/81/72/385158172.db2.gz AAQATZRXDFILCB-NSHDSACASA-N 1 2 246.314 1.526 20 0 BDADLO CCCCc1nc(C[N@@H+]2CC[C@@H](CO)C2)no1 ZINC000157412988 385170052 /nfs/dbraw/zinc/17/00/52/385170052.db2.gz VSHUCGYDPLBBLN-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCCCc1nc(C[N@H+]2CC[C@@H](CO)C2)no1 ZINC000157412988 385170062 /nfs/dbraw/zinc/17/00/62/385170062.db2.gz VSHUCGYDPLBBLN-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000189633471 385172144 /nfs/dbraw/zinc/17/21/44/385172144.db2.gz JDLYJGRPTNKHAV-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000189633471 385172149 /nfs/dbraw/zinc/17/21/49/385172149.db2.gz JDLYJGRPTNKHAV-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C/C1CCC1 ZINC000492057917 385213632 /nfs/dbraw/zinc/21/36/32/385213632.db2.gz NNLXWRINPNFVKT-AATRIKPKSA-N 1 2 219.288 1.691 20 0 BDADLO Cn1cnnc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110128071 385215114 /nfs/dbraw/zinc/21/51/14/385215114.db2.gz RNQFYRFCOQLYCN-UHFFFAOYSA-N 1 2 230.275 1.095 20 0 BDADLO CCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152856671 385219874 /nfs/dbraw/zinc/21/98/74/385219874.db2.gz BTIBMQBHKORKPM-LLVKDONJSA-N 1 2 233.315 1.577 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000449781895 385226717 /nfs/dbraw/zinc/22/67/17/385226717.db2.gz XKTTWWBXWOYEBO-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000449781895 385226722 /nfs/dbraw/zinc/22/67/22/385226722.db2.gz XKTTWWBXWOYEBO-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO Fc1ccc(C[NH2+]Cc2ncc[nH]2)nc1 ZINC000308883024 385236224 /nfs/dbraw/zinc/23/62/24/385236224.db2.gz RFXKSCOBXNKOJA-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO Fc1ccc(CNCc2[nH]cc[nH+]2)nc1 ZINC000308883024 385236227 /nfs/dbraw/zinc/23/62/27/385236227.db2.gz RFXKSCOBXNKOJA-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO CC[C@@H]([NH2+]CCCc1nccs1)C(=O)OC ZINC000290636466 385250161 /nfs/dbraw/zinc/25/01/61/385250161.db2.gz NGOZFKFXEPCCNB-SECBINFHSA-N 1 2 242.344 1.617 20 0 BDADLO CCC(CC)CNC(=O)NCc1c[nH+]cn1C ZINC000290782093 385251815 /nfs/dbraw/zinc/25/18/15/385251815.db2.gz NDZVTLNXJPMTIR-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO Cc1ccc(N[C@H]2CCCS(=O)(=O)C2)c[nH+]1 ZINC000154254668 385312178 /nfs/dbraw/zinc/31/21/78/385312178.db2.gz KBSSAFMMMBNXKV-NSHDSACASA-N 1 2 240.328 1.379 20 0 BDADLO CCOc1ccccc1C[N@H+](CC)CC(N)=O ZINC000191703415 385315965 /nfs/dbraw/zinc/31/59/65/385315965.db2.gz SQJVGCZXQDRDPC-UHFFFAOYSA-N 1 2 236.315 1.393 20 0 BDADLO CCOc1ccccc1C[N@@H+](CC)CC(N)=O ZINC000191703415 385315972 /nfs/dbraw/zinc/31/59/72/385315972.db2.gz SQJVGCZXQDRDPC-UHFFFAOYSA-N 1 2 236.315 1.393 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000334258346 385261147 /nfs/dbraw/zinc/26/11/47/385261147.db2.gz RRMCZZCYKUQWEE-XIVSLSHWSA-N 1 2 247.342 1.863 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1ccn(C)c1)C1CC1 ZINC000273021137 385279187 /nfs/dbraw/zinc/27/91/87/385279187.db2.gz WXZATPWNTBFFGA-NSHDSACASA-N 1 2 222.288 1.066 20 0 BDADLO C[C@H](CNC(=O)c1ccncc1)Cn1cc[nH+]c1 ZINC000153759750 385279695 /nfs/dbraw/zinc/27/96/95/385279695.db2.gz GZQQWKVAWMMPRN-LLVKDONJSA-N 1 2 244.298 1.344 20 0 BDADLO CN(c1[nH+]cnc2c1cnn2C)[C@H]1CCSC1 ZINC000153774778 385279776 /nfs/dbraw/zinc/27/97/76/385279776.db2.gz WXPOARQVGBBYIY-QMMMGPOBSA-N 1 2 249.343 1.305 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(=O)OC)C1(CC)CC ZINC000191073608 385281464 /nfs/dbraw/zinc/28/14/64/385281464.db2.gz UKGPKNNFIUNQQM-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO O=C1NCCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000296403710 385288606 /nfs/dbraw/zinc/28/86/06/385288606.db2.gz WAYROIZYTCYZRC-LBPRGKRZSA-N 1 2 242.282 1.320 20 0 BDADLO CC[NH+](CC)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000154014136 385295662 /nfs/dbraw/zinc/29/56/62/385295662.db2.gz HQFCJGDXTJRXME-UHFFFAOYSA-N 1 2 247.302 1.238 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(C)cn1)C(C)C ZINC000157866756 385298620 /nfs/dbraw/zinc/29/86/20/385298620.db2.gz AIKONNRCAOKGRL-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(C)cn1)C(C)C ZINC000157866756 385298623 /nfs/dbraw/zinc/29/86/23/385298623.db2.gz AIKONNRCAOKGRL-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1CC1 ZINC000024203118 385338280 /nfs/dbraw/zinc/33/82/80/385338280.db2.gz WBAVVDBPWFMHEW-UHFFFAOYSA-N 1 2 203.249 1.185 20 0 BDADLO CC(C)[C@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000643983442 385351438 /nfs/dbraw/zinc/35/14/38/385351438.db2.gz NDVYRGKMQQJLNO-NSHDSACASA-N 1 2 233.271 1.290 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000364339219 385367953 /nfs/dbraw/zinc/36/79/53/385367953.db2.gz NYJLAFVODNQHPC-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCCCS1)C(=O)OC ZINC000168388864 385369679 /nfs/dbraw/zinc/36/96/79/385369679.db2.gz YAJYDFXMNZCDNF-UWVGGRQHSA-N 1 2 231.361 1.813 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC=CCC1 ZINC000192939871 385377302 /nfs/dbraw/zinc/37/73/02/385377302.db2.gz RWADNFOMRFKORU-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCOC1 ZINC000179858935 385381104 /nfs/dbraw/zinc/38/11/04/385381104.db2.gz PGYTXXREJMFTCX-SECBINFHSA-N 1 2 221.260 1.300 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCOC1 ZINC000181022090 385403354 /nfs/dbraw/zinc/40/33/54/385403354.db2.gz QRFPGDZPBIRJCG-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO CSCCC[N@H+](C)Cc1noc(C)n1 ZINC000181691378 385409334 /nfs/dbraw/zinc/40/93/34/385409334.db2.gz NQZNOMZOEXZKAQ-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CSCCC[N@@H+](C)Cc1noc(C)n1 ZINC000181691378 385409340 /nfs/dbraw/zinc/40/93/40/385409340.db2.gz NQZNOMZOEXZKAQ-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1)c1ccon1 ZINC000309110961 385426273 /nfs/dbraw/zinc/42/62/73/385426273.db2.gz JQJBNBWBXFKQBU-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO CCC[C@]1([NH2+]CC(=O)OCC)CCOC1 ZINC000309174261 385450308 /nfs/dbraw/zinc/45/03/08/385450308.db2.gz MCXSXCRCYJMGRU-NSHDSACASA-N 1 2 215.293 1.098 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000179214326 385452695 /nfs/dbraw/zinc/45/26/95/385452695.db2.gz DMLIGNLUPKQQNN-JTQLQIEISA-N 1 2 249.343 1.572 20 0 BDADLO c1csc(C[N@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000179214326 385452701 /nfs/dbraw/zinc/45/27/01/385452701.db2.gz DMLIGNLUPKQQNN-JTQLQIEISA-N 1 2 249.343 1.572 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000309133659 385431592 /nfs/dbraw/zinc/43/15/92/385431592.db2.gz ROYMDHSEIITGLF-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO Cn1nnc(C[N@H+](C)CCc2ccc(F)cc2)n1 ZINC000194432579 385435318 /nfs/dbraw/zinc/43/53/18/385435318.db2.gz PFSQCVPAQJLVNN-UHFFFAOYSA-N 1 2 249.293 1.024 20 0 BDADLO Cn1nnc(C[N@@H+](C)CCc2ccc(F)cc2)n1 ZINC000194432579 385435325 /nfs/dbraw/zinc/43/53/25/385435325.db2.gz PFSQCVPAQJLVNN-UHFFFAOYSA-N 1 2 249.293 1.024 20 0 BDADLO CC[C@H]([NH2+]Cc1noc(C)n1)[C@H]1CCCO1 ZINC000182272819 385436080 /nfs/dbraw/zinc/43/60/80/385436080.db2.gz SGXOAHIERYALLF-VHSXEESVSA-N 1 2 225.292 1.425 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364432669 385437108 /nfs/dbraw/zinc/43/71/08/385437108.db2.gz CZCYAUURRILTAT-GHMZBOCLSA-N 1 2 241.331 1.175 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364432669 385437112 /nfs/dbraw/zinc/43/71/12/385437112.db2.gz CZCYAUURRILTAT-GHMZBOCLSA-N 1 2 241.331 1.175 20 0 BDADLO CCN(C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000170671663 385437989 /nfs/dbraw/zinc/43/79/89/385437989.db2.gz JBQPONHFFICMSV-UHFFFAOYSA-N 1 2 224.308 1.323 20 0 BDADLO Cc1nc(N2CC[C@@H](CC(C)C)C2)nc(N)[nH+]1 ZINC000307838321 385474955 /nfs/dbraw/zinc/47/49/55/385474955.db2.gz SDEDFISRGIHZFR-JTQLQIEISA-N 1 2 235.335 1.635 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](CC(C)C)C2)[nH+]1 ZINC000307838321 385474957 /nfs/dbraw/zinc/47/49/57/385474957.db2.gz SDEDFISRGIHZFR-JTQLQIEISA-N 1 2 235.335 1.635 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000364642062 385482227 /nfs/dbraw/zinc/48/22/27/385482227.db2.gz ZNABMSCAHGVUSN-GXSJLCMTSA-N 1 2 236.271 1.120 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000364642062 385482231 /nfs/dbraw/zinc/48/22/31/385482231.db2.gz ZNABMSCAHGVUSN-GXSJLCMTSA-N 1 2 236.271 1.120 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCOC1 ZINC000179847739 385494886 /nfs/dbraw/zinc/49/48/86/385494886.db2.gz AMZPLTOKLFMAAO-NSHDSACASA-N 1 2 249.314 1.938 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000364739236 385509115 /nfs/dbraw/zinc/50/91/15/385509115.db2.gz LPWGCYISWNXZJU-GFCCVEGCSA-N 1 2 235.283 1.099 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000364739236 385509117 /nfs/dbraw/zinc/50/91/17/385509117.db2.gz LPWGCYISWNXZJU-GFCCVEGCSA-N 1 2 235.283 1.099 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCCCF ZINC000309285594 385510347 /nfs/dbraw/zinc/51/03/47/385510347.db2.gz UQXLBVCIXCOJIU-UHFFFAOYSA-N 1 2 223.255 1.525 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493072801 385512150 /nfs/dbraw/zinc/51/21/50/385512150.db2.gz RFKNOLBZGSZNCZ-YEZKRMTDSA-N 1 2 221.304 1.831 20 0 BDADLO CC(=O)c1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616927864 385489113 /nfs/dbraw/zinc/48/91/13/385489113.db2.gz RRSZGNGOVAXYOG-UHFFFAOYSA-N 1 2 247.254 1.478 20 0 BDADLO CC(=O)c1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616927864 385489117 /nfs/dbraw/zinc/48/91/17/385489117.db2.gz RRSZGNGOVAXYOG-UHFFFAOYSA-N 1 2 247.254 1.478 20 0 BDADLO CC[C@@H](C)CN(C)c1[nH+]cnc2c1cnn2C ZINC000171942298 385535367 /nfs/dbraw/zinc/53/53/67/385535367.db2.gz DGUQJVUBNFASJN-SECBINFHSA-N 1 2 233.319 1.846 20 0 BDADLO CN(CC[C@@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493151250 385536051 /nfs/dbraw/zinc/53/60/51/385536051.db2.gz MDGPHBVQMCNBHT-ZWNMCFTASA-N 1 2 249.314 1.450 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCC(C)(F)F ZINC000643126338 385545410 /nfs/dbraw/zinc/54/54/10/385545410.db2.gz TUDXWYHKCOOAGQ-UHFFFAOYSA-N 1 2 245.273 1.814 20 0 BDADLO CCOCC[N@H+](C)CC(=O)c1ccccc1F ZINC000158077528 385548078 /nfs/dbraw/zinc/54/80/78/385548078.db2.gz VEHACFNOPTXRKJ-UHFFFAOYSA-N 1 2 239.290 1.977 20 0 BDADLO CCOCC[N@@H+](C)CC(=O)c1ccccc1F ZINC000158077528 385548081 /nfs/dbraw/zinc/54/80/81/385548081.db2.gz VEHACFNOPTXRKJ-UHFFFAOYSA-N 1 2 239.290 1.977 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000644135795 385518617 /nfs/dbraw/zinc/51/86/17/385518617.db2.gz XRBHKCBWJLXWHW-ZJUUUORDSA-N 1 2 230.271 1.244 20 0 BDADLO Cc1cnc(C[N@@H+](CC(N)=O)CC(C)C)s1 ZINC000180430233 385522985 /nfs/dbraw/zinc/52/29/85/385522985.db2.gz CHXDDSSCTVGZEO-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO Cc1cnc(C[N@H+](CC(N)=O)CC(C)C)s1 ZINC000180430233 385522988 /nfs/dbraw/zinc/52/29/88/385522988.db2.gz CHXDDSSCTVGZEO-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H]1CCCO ZINC000493197366 385553820 /nfs/dbraw/zinc/55/38/20/385553820.db2.gz YFJXYKQXMXKFLJ-ISALQUGTSA-N 1 2 249.314 1.186 20 0 BDADLO CC(C)OC[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000365039215 385570325 /nfs/dbraw/zinc/57/03/25/385570325.db2.gz BDOWAVAEGQSGAD-LBPRGKRZSA-N 1 2 236.315 1.712 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000250100911 385597469 /nfs/dbraw/zinc/59/74/69/385597469.db2.gz XAZAESSYWCJIMA-JZYVYDRUSA-N 1 2 217.272 1.648 20 0 BDADLO CCCCc1cc(=NC(=O)Cn2cc[nH+]c2)[nH][nH]1 ZINC000643182062 385599337 /nfs/dbraw/zinc/59/93/37/385599337.db2.gz QXZBIQMBDVNYMV-UHFFFAOYSA-N 1 2 247.302 1.009 20 0 BDADLO Cc1ccncc1C[N@H+]1CCOC[C@@H]1C ZINC000269544612 385604618 /nfs/dbraw/zinc/60/46/18/385604618.db2.gz BTXKDQUSCKWGHD-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCOC[C@@H]1C ZINC000269544612 385604622 /nfs/dbraw/zinc/60/46/22/385604622.db2.gz BTXKDQUSCKWGHD-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@H]1CCOC1 ZINC000335183558 385605427 /nfs/dbraw/zinc/60/54/27/385605427.db2.gz DBJFBKLTQLNFOC-LBPRGKRZSA-N 1 2 249.314 1.455 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cnccc2C)CCO1 ZINC000269655424 385617082 /nfs/dbraw/zinc/61/70/82/385617082.db2.gz WJEGEBCVECMPME-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cnccc2C)CCO1 ZINC000269655424 385617089 /nfs/dbraw/zinc/61/70/89/385617089.db2.gz WJEGEBCVECMPME-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CCN(CC(=O)OC)Cc1cc(OC)cc[nH+]1 ZINC000269642922 385618254 /nfs/dbraw/zinc/61/82/54/385618254.db2.gz YFXNGCMKWBZICA-UHFFFAOYSA-N 1 2 238.287 1.085 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000309489680 385618375 /nfs/dbraw/zinc/61/83/75/385618375.db2.gz WQZLKJKTASOEDI-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@@H]([NH2+]CCc1cc(C)no1)C(=O)OC ZINC000309492004 385622236 /nfs/dbraw/zinc/62/22/36/385622236.db2.gz XKMMPTOFIXOYEK-SNVBAGLBSA-N 1 2 226.276 1.067 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cnccc1C ZINC000269703632 385626043 /nfs/dbraw/zinc/62/60/43/385626043.db2.gz RXGAETGJMFCYMZ-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cnccc1C ZINC000269703632 385626047 /nfs/dbraw/zinc/62/60/47/385626047.db2.gz RXGAETGJMFCYMZ-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@](C)([NH2+]Cc1ncc(Cl)s1)C(N)=O ZINC000336681472 385634332 /nfs/dbraw/zinc/63/43/32/385634332.db2.gz JCTOEKNIWUMSAL-VIFPVBQESA-N 1 2 247.751 1.540 20 0 BDADLO Cc1ccncc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000269579102 385609864 /nfs/dbraw/zinc/60/98/64/385609864.db2.gz DTOQVBGHICFVDR-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000269579102 385609867 /nfs/dbraw/zinc/60/98/67/385609867.db2.gz DTOQVBGHICFVDR-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CC(C)=CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000365141535 385613344 /nfs/dbraw/zinc/61/33/44/385613344.db2.gz RRXRLJIFWKPABJ-LBPRGKRZSA-N 1 2 247.342 1.918 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccs1 ZINC000273330938 385664925 /nfs/dbraw/zinc/66/49/25/385664925.db2.gz UOYXLHKVXQJUQO-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000269879056 385641917 /nfs/dbraw/zinc/64/19/17/385641917.db2.gz QUBURSWTFKSVRB-NSHDSACASA-N 1 2 241.298 1.562 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nccs1 ZINC000182208255 385644548 /nfs/dbraw/zinc/64/45/48/385644548.db2.gz FSZLXYOPUUAKMM-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nccs1 ZINC000182208255 385644554 /nfs/dbraw/zinc/64/45/54/385644554.db2.gz FSZLXYOPUUAKMM-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000366567342 385647651 /nfs/dbraw/zinc/64/76/51/385647651.db2.gz CIFQWKNFUHJRHD-JQWIXIFHSA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000366567342 385647656 /nfs/dbraw/zinc/64/76/56/385647656.db2.gz CIFQWKNFUHJRHD-JQWIXIFHSA-N 1 2 249.310 1.483 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cncs1 ZINC000281383405 385662956 /nfs/dbraw/zinc/66/29/56/385662956.db2.gz WHMUTGGBCKNMRH-SECBINFHSA-N 1 2 242.344 1.917 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cncs1 ZINC000281383405 385662962 /nfs/dbraw/zinc/66/29/62/385662962.db2.gz WHMUTGGBCKNMRH-SECBINFHSA-N 1 2 242.344 1.917 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccoc1C1CC1 ZINC000281400114 385666175 /nfs/dbraw/zinc/66/61/75/385666175.db2.gz XKXFDKXPHKAYDL-UHFFFAOYSA-N 1 2 245.282 1.821 20 0 BDADLO CC(C)c1nn(C)cc1NC(=O)Cn1cc[nH+]c1 ZINC000281473840 385675790 /nfs/dbraw/zinc/67/57/90/385675790.db2.gz CTVOPVXCEMHJFY-UHFFFAOYSA-N 1 2 247.302 1.379 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CCC(C)C)C(=O)OC ZINC000309549515 385681899 /nfs/dbraw/zinc/68/18/99/385681899.db2.gz HRGSOYRVGVXSOM-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000281586831 385684291 /nfs/dbraw/zinc/68/42/91/385684291.db2.gz JDJOCTWOOXBKLE-NXEZZACHSA-N 1 2 236.319 1.408 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270202870 385685331 /nfs/dbraw/zinc/68/53/31/385685331.db2.gz PLCVNMQFMITCIF-MRVPVSSYSA-N 1 2 234.221 1.069 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270202870 385685334 /nfs/dbraw/zinc/68/53/34/385685334.db2.gz PLCVNMQFMITCIF-MRVPVSSYSA-N 1 2 234.221 1.069 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000645234613 385693615 /nfs/dbraw/zinc/69/36/15/385693615.db2.gz HHBOAHJXXLHKTE-GARJFASQSA-N 1 2 248.330 1.408 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2CC=C(C)CC2)n1 ZINC000270398903 385702568 /nfs/dbraw/zinc/70/25/68/385702568.db2.gz ZITSQZWOKMYYKK-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000270398903 385702575 /nfs/dbraw/zinc/70/25/75/385702575.db2.gz ZITSQZWOKMYYKK-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc(C(F)F)s1 ZINC000184854547 385714014 /nfs/dbraw/zinc/71/40/14/385714014.db2.gz RVLAMWQUFRHFGE-UHFFFAOYSA-N 1 2 245.258 1.821 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1ccccn1 ZINC000188211420 385669928 /nfs/dbraw/zinc/66/99/28/385669928.db2.gz FYSTZDMSYDJVTA-LLVKDONJSA-N 1 2 238.356 1.894 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1ccccn1 ZINC000188211420 385669932 /nfs/dbraw/zinc/66/99/32/385669932.db2.gz FYSTZDMSYDJVTA-LLVKDONJSA-N 1 2 238.356 1.894 20 0 BDADLO Cc1cncc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282115808 385734340 /nfs/dbraw/zinc/73/43/40/385734340.db2.gz JGTKOVGACROLGM-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cncc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282115808 385734345 /nfs/dbraw/zinc/73/43/45/385734345.db2.gz JGTKOVGACROLGM-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)[nH]1 ZINC000408375508 385743541 /nfs/dbraw/zinc/74/35/41/385743541.db2.gz OXSVCMRWFYFUEB-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)[nH]1 ZINC000408375508 385743543 /nfs/dbraw/zinc/74/35/43/385743543.db2.gz OXSVCMRWFYFUEB-ZJUUUORDSA-N 1 2 238.335 1.131 20 0 BDADLO CC(=O)c1ccc(N(C)Cc2[nH+]ccn2C)nc1 ZINC000212852170 385745211 /nfs/dbraw/zinc/74/52/11/385745211.db2.gz AZWCMLTZFYAMMG-UHFFFAOYSA-N 1 2 244.298 1.654 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OCC ZINC000336736910 385755913 /nfs/dbraw/zinc/75/59/13/385755913.db2.gz NECNJAVYPNBPEN-DCAQKATOSA-N 1 2 231.336 1.731 20 0 BDADLO FCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000336737302 385758684 /nfs/dbraw/zinc/75/86/84/385758684.db2.gz QAZQYBMBLFCXEJ-UHFFFAOYSA-N 1 2 209.268 1.938 20 0 BDADLO CON(Cc1[nH]cc[nH+]1)CC1CCOCC1 ZINC000282534193 385768263 /nfs/dbraw/zinc/76/82/63/385768263.db2.gz RYCJJYDCKIDIQU-UHFFFAOYSA-N 1 2 225.292 1.200 20 0 BDADLO CO[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000282728723 385782524 /nfs/dbraw/zinc/78/25/24/385782524.db2.gz IEOAWTTUHSLWHI-YGEYTSGZSA-N 1 2 249.314 1.449 20 0 BDADLO OCC[C@H]([NH2+]Cc1ccon1)c1ccco1 ZINC000185080022 385719577 /nfs/dbraw/zinc/71/95/77/385719577.db2.gz XSQCUGGZIVMUGB-JTQLQIEISA-N 1 2 222.244 1.481 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000271094777 385785374 /nfs/dbraw/zinc/78/53/74/385785374.db2.gz KMQWQSPOFNYRRC-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000271094777 385785376 /nfs/dbraw/zinc/78/53/76/385785376.db2.gz KMQWQSPOFNYRRC-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CCC[C@@]1([NH2+]Cc2noc(C)n2)CCOC1 ZINC000336736015 385725386 /nfs/dbraw/zinc/72/53/86/385725386.db2.gz MDQCLIGTOQAUKK-LLVKDONJSA-N 1 2 225.292 1.427 20 0 BDADLO FC(F)COCCOCc1[nH]cc[nH+]1 ZINC000284253233 385856791 /nfs/dbraw/zinc/85/67/91/385856791.db2.gz OPEKMEVLXQJKKM-UHFFFAOYSA-N 1 2 206.192 1.208 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NCC(F)F)[nH+]1 ZINC000271233733 385808890 /nfs/dbraw/zinc/80/88/90/385808890.db2.gz ZKWSWIGFRGBPLN-UHFFFAOYSA-N 1 2 245.277 1.738 20 0 BDADLO CC(C)c1nc(NCC(F)F)nc(N(C)C)[nH+]1 ZINC000271233733 385808891 /nfs/dbraw/zinc/80/88/91/385808891.db2.gz ZKWSWIGFRGBPLN-UHFFFAOYSA-N 1 2 245.277 1.738 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC(F)(F)C1 ZINC000337862041 385810057 /nfs/dbraw/zinc/81/00/57/385810057.db2.gz JGKFRRUZAXKRKO-UHFFFAOYSA-N 1 2 239.229 1.209 20 0 BDADLO O=C1COc2ccc(C[NH2+]CC(F)F)cc2N1 ZINC000231644212 385810417 /nfs/dbraw/zinc/81/04/17/385810417.db2.gz RTEWYVVMGSBVAW-UHFFFAOYSA-N 1 2 242.225 1.372 20 0 BDADLO C[N@H+](CCc1cnccn1)Cc1ccon1 ZINC000271284880 385813512 /nfs/dbraw/zinc/81/35/12/385813512.db2.gz AXBPWIQOYLNJLM-UHFFFAOYSA-N 1 2 218.260 1.139 20 0 BDADLO C[N@@H+](CCc1cnccn1)Cc1ccon1 ZINC000271284880 385813515 /nfs/dbraw/zinc/81/35/15/385813515.db2.gz AXBPWIQOYLNJLM-UHFFFAOYSA-N 1 2 218.260 1.139 20 0 BDADLO O=C(C[N@H+](Cc1ccccn1)C1CC1)N1CCC1 ZINC000271473743 385832836 /nfs/dbraw/zinc/83/28/36/385832836.db2.gz GGRVAQXPTWHUHN-UHFFFAOYSA-N 1 2 245.326 1.278 20 0 BDADLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)N1CCC1 ZINC000271473743 385832838 /nfs/dbraw/zinc/83/28/38/385832838.db2.gz GGRVAQXPTWHUHN-UHFFFAOYSA-N 1 2 245.326 1.278 20 0 BDADLO FC(F)CN1CCC[N@H+](Cc2ccno2)CC1 ZINC000271491819 385834665 /nfs/dbraw/zinc/83/46/65/385834665.db2.gz BVAQOHBTDKTFFW-UHFFFAOYSA-N 1 2 245.273 1.447 20 0 BDADLO FC(F)CN1CCC[N@@H+](Cc2ccno2)CC1 ZINC000271491819 385834669 /nfs/dbraw/zinc/83/46/69/385834669.db2.gz BVAQOHBTDKTFFW-UHFFFAOYSA-N 1 2 245.273 1.447 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cccn2C)n1 ZINC000283994823 385845400 /nfs/dbraw/zinc/84/54/00/385845400.db2.gz MEGSSAOZSVOEBJ-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOC3(CCC3)C2)nc1 ZINC000335750537 385850045 /nfs/dbraw/zinc/85/00/45/385850045.db2.gz BXYHUUFTLLECOG-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1ccc(C[N@H+]2CCOC3(CCC3)C2)nc1 ZINC000335750537 385850048 /nfs/dbraw/zinc/85/00/48/385850048.db2.gz BXYHUUFTLLECOG-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO COC(CSc1nc(N)cc(C)[nH+]1)OC ZINC000148592836 385852623 /nfs/dbraw/zinc/85/26/23/385852623.db2.gz JKGCNPIDEWTCMF-UHFFFAOYSA-N 1 2 229.305 1.078 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)s1 ZINC000282899612 385794808 /nfs/dbraw/zinc/79/48/08/385794808.db2.gz ZYVFMBBUILPOAE-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)s1 ZINC000282899612 385794814 /nfs/dbraw/zinc/79/48/14/385794814.db2.gz ZYVFMBBUILPOAE-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CO)C2)ccc1F ZINC000271155860 385795088 /nfs/dbraw/zinc/79/50/88/385795088.db2.gz CUILJNYVKRVECN-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CO)C2)ccc1F ZINC000271155860 385795099 /nfs/dbraw/zinc/79/50/99/385795099.db2.gz CUILJNYVKRVECN-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccncc1CCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000294722719 385888144 /nfs/dbraw/zinc/88/81/44/385888144.db2.gz CPFXGLRRIXDQPU-GFCCVEGCSA-N 1 2 247.342 1.143 20 0 BDADLO Cc1ccncc1CCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000294722719 385888145 /nfs/dbraw/zinc/88/81/45/385888145.db2.gz CPFXGLRRIXDQPU-GFCCVEGCSA-N 1 2 247.342 1.143 20 0 BDADLO CN(Cc1ccco1)C(=O)Cn1cc[nH+]c1 ZINC000284877141 385888275 /nfs/dbraw/zinc/88/82/75/385888275.db2.gz BGAURYVWTYENLN-UHFFFAOYSA-N 1 2 219.244 1.135 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCOCC2)c(C)c[nH+]1 ZINC000365956390 385888647 /nfs/dbraw/zinc/88/86/47/385888647.db2.gz RBWSOHDPKFIZBD-GFCCVEGCSA-N 1 2 248.326 1.876 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1csc(C)c1 ZINC000294748628 385891915 /nfs/dbraw/zinc/89/19/15/385891915.db2.gz HYZZJGNJYDLTBY-NSHDSACASA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1csc(C)c1 ZINC000294748628 385891922 /nfs/dbraw/zinc/89/19/22/385891922.db2.gz HYZZJGNJYDLTBY-NSHDSACASA-N 1 2 238.356 1.767 20 0 BDADLO Cc1cc(N2Cc3c[nH]nc3C2)nc(C2CC2)[nH+]1 ZINC000647843263 385893821 /nfs/dbraw/zinc/89/38/21/385893821.db2.gz CSLAAMCUVBUWIB-UHFFFAOYSA-N 1 2 241.298 1.906 20 0 BDADLO c1nc2c(c(NCC3CCCCC3)[nH+]1)OCCN2 ZINC000647845026 385896602 /nfs/dbraw/zinc/89/66/02/385896602.db2.gz JRZGSMCSFMDCIK-UHFFFAOYSA-N 1 2 248.330 1.695 20 0 BDADLO c1nc(NCC2CCCCC2)c2c([nH+]1)NCCO2 ZINC000647845026 385896604 /nfs/dbraw/zinc/89/66/04/385896604.db2.gz JRZGSMCSFMDCIK-UHFFFAOYSA-N 1 2 248.330 1.695 20 0 BDADLO C[N@H+](CCO)Cc1cccc(O)c1Cl ZINC000294809009 385898492 /nfs/dbraw/zinc/89/84/92/385898492.db2.gz DXIZNVJGKLZISN-UHFFFAOYSA-N 1 2 215.680 1.470 20 0 BDADLO C[N@@H+](CCO)Cc1cccc(O)c1Cl ZINC000294809009 385898495 /nfs/dbraw/zinc/89/84/95/385898495.db2.gz DXIZNVJGKLZISN-UHFFFAOYSA-N 1 2 215.680 1.470 20 0 BDADLO Cc1nocc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000294821887 385899416 /nfs/dbraw/zinc/89/94/16/385899416.db2.gz XQXAIDQFGNJGDB-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000294821887 385899420 /nfs/dbraw/zinc/89/94/20/385899420.db2.gz XQXAIDQFGNJGDB-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000294836949 385902445 /nfs/dbraw/zinc/90/24/45/385902445.db2.gz YXWVKIFPDHCSMM-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000294836949 385902448 /nfs/dbraw/zinc/90/24/48/385902448.db2.gz YXWVKIFPDHCSMM-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccncc1C ZINC000294884845 385909292 /nfs/dbraw/zinc/90/92/92/385909292.db2.gz QXUDKNYJPOWLHN-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccncc1C ZINC000294884845 385909296 /nfs/dbraw/zinc/90/92/96/385909296.db2.gz QXUDKNYJPOWLHN-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO Cc1nc(N[C@H]2CCS[C@@H]2C)nc(N)[nH+]1 ZINC000308919466 385909214 /nfs/dbraw/zinc/90/92/14/385909214.db2.gz IKQLVXNATNEYMY-VDTYLAMSSA-N 1 2 225.321 1.068 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCS[C@@H]2C)[nH+]1 ZINC000308919466 385909219 /nfs/dbraw/zinc/90/92/19/385909219.db2.gz IKQLVXNATNEYMY-VDTYLAMSSA-N 1 2 225.321 1.068 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000294886505 385909775 /nfs/dbraw/zinc/90/97/75/385909775.db2.gz FZPZLQTUYSSSJT-CYBMUJFWSA-N 1 2 242.326 1.869 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000294886505 385909777 /nfs/dbraw/zinc/90/97/77/385909777.db2.gz FZPZLQTUYSSSJT-CYBMUJFWSA-N 1 2 242.326 1.869 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)no1 ZINC000123778848 385910890 /nfs/dbraw/zinc/91/08/90/385910890.db2.gz NXGLFTZZJUUDDP-KOLCDFICSA-N 1 2 239.319 1.503 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)no1 ZINC000123778848 385910894 /nfs/dbraw/zinc/91/08/94/385910894.db2.gz NXGLFTZZJUUDDP-KOLCDFICSA-N 1 2 239.319 1.503 20 0 BDADLO CC(C)N1CC[N@@H+]([C@@H](C)c2cccnc2)CC1=O ZINC000272530839 385911147 /nfs/dbraw/zinc/91/11/47/385911147.db2.gz IKQPGSVAEAICHG-LBPRGKRZSA-N 1 2 247.342 1.695 20 0 BDADLO CC(C)N1CC[N@H+]([C@@H](C)c2cccnc2)CC1=O ZINC000272530839 385911152 /nfs/dbraw/zinc/91/11/52/385911152.db2.gz IKQPGSVAEAICHG-LBPRGKRZSA-N 1 2 247.342 1.695 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@H]2CCCCO2)c[nH+]1 ZINC000272574516 385915578 /nfs/dbraw/zinc/91/55/78/385915578.db2.gz PQHCOFPOPXJVIA-SNVBAGLBSA-N 1 2 237.303 1.407 20 0 BDADLO COCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000272645581 385920218 /nfs/dbraw/zinc/92/02/18/385920218.db2.gz ZVLVBAYYAJDCHF-NSHDSACASA-N 1 2 235.287 1.870 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285404388 385924127 /nfs/dbraw/zinc/92/41/27/385924127.db2.gz UGVDILNTPKGUKD-JTQLQIEISA-N 1 2 235.283 1.930 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000285404388 385924132 /nfs/dbraw/zinc/92/41/32/385924132.db2.gz UGVDILNTPKGUKD-JTQLQIEISA-N 1 2 235.283 1.930 20 0 BDADLO Cc1nc(C[N@@H+](C)C2(CO)CC2)oc1C ZINC000285402787 385924688 /nfs/dbraw/zinc/92/46/88/385924688.db2.gz FINKKEALSVYVTG-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO Cc1nc(C[N@H+](C)C2(CO)CC2)oc1C ZINC000285402787 385924695 /nfs/dbraw/zinc/92/46/95/385924695.db2.gz FINKKEALSVYVTG-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1cc(=O)c(O)co1 ZINC000271924491 385861690 /nfs/dbraw/zinc/86/16/90/385861690.db2.gz XMLQUXMGZJNKFO-UHFFFAOYSA-N 1 2 235.239 1.570 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1cc(=O)c(O)co1 ZINC000271924491 385861694 /nfs/dbraw/zinc/86/16/94/385861694.db2.gz XMLQUXMGZJNKFO-UHFFFAOYSA-N 1 2 235.239 1.570 20 0 BDADLO CC[C@@H](CSC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284341696 385864211 /nfs/dbraw/zinc/86/42/11/385864211.db2.gz JJDKKSODYWISHD-MOVJSRMASA-N 1 2 239.344 1.681 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1C ZINC000294580426 385871464 /nfs/dbraw/zinc/87/14/64/385871464.db2.gz QDWXWTVIHZUUNL-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1C ZINC000294580426 385871467 /nfs/dbraw/zinc/87/14/67/385871467.db2.gz QDWXWTVIHZUUNL-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)(C)c1nc(COCc2[nH]cc[nH+]2)no1 ZINC000272111479 385877088 /nfs/dbraw/zinc/87/70/88/385877088.db2.gz YWENAEIHPURTHU-UHFFFAOYSA-N 1 2 236.275 1.807 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2CCn3cncc3C2)O1 ZINC000647940567 385878051 /nfs/dbraw/zinc/87/80/51/385878051.db2.gz HVTGOFUPYWDBHY-CMPLNLGQSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+]2CCn3cncc3C2)O1 ZINC000647940567 385878055 /nfs/dbraw/zinc/87/80/55/385878055.db2.gz HVTGOFUPYWDBHY-CMPLNLGQSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@H]1CC[C@H](CN2CCn3c[nH+]cc3C2)O1 ZINC000647940567 385878059 /nfs/dbraw/zinc/87/80/59/385878059.db2.gz HVTGOFUPYWDBHY-CMPLNLGQSA-N 1 2 221.304 1.266 20 0 BDADLO O=C(c1ccsn1)N1CC[NH+](C2CC2)CC1 ZINC000294689669 385882157 /nfs/dbraw/zinc/88/21/57/385882157.db2.gz KNHLGTXWUVNKME-UHFFFAOYSA-N 1 2 237.328 1.063 20 0 BDADLO C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000295151299 385978752 /nfs/dbraw/zinc/97/87/52/385978752.db2.gz JPWKGNAIWWSLGT-ZETCQYMHSA-N 1 2 245.286 1.037 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccncc1F ZINC000338377346 385983156 /nfs/dbraw/zinc/98/31/56/385983156.db2.gz USWISGIUMIEWJZ-VIFPVBQESA-N 1 2 248.261 1.295 20 0 BDADLO Cc1cc(NCCCc2ccc(O)cc2)nc[nH+]1 ZINC000345089276 385991617 /nfs/dbraw/zinc/99/16/17/385991617.db2.gz GZSFCVHKRCFEGF-UHFFFAOYSA-N 1 2 243.310 1.957 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000286071087 385992086 /nfs/dbraw/zinc/99/20/86/385992086.db2.gz RWKIXWCVHAIXIY-VMDCKITASA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H](O)C(C)(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000272835513 385940325 /nfs/dbraw/zinc/94/03/25/385940325.db2.gz OSVVJOBMQCYNIT-SECBINFHSA-N 1 2 247.298 1.224 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)C(C)C ZINC000647743456 385947502 /nfs/dbraw/zinc/94/75/02/385947502.db2.gz RYNPKQDSUDBGSO-NEPJUHHUSA-N 1 2 242.363 1.210 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)C(C)C ZINC000647743456 385947505 /nfs/dbraw/zinc/94/75/05/385947505.db2.gz RYNPKQDSUDBGSO-NEPJUHHUSA-N 1 2 242.363 1.210 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C)C(C)C ZINC000647743458 385947771 /nfs/dbraw/zinc/94/77/71/385947771.db2.gz RYNPKQDSUDBGSO-RYUDHWBXSA-N 1 2 242.363 1.210 20 0 BDADLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)C(C)C ZINC000647743458 385947778 /nfs/dbraw/zinc/94/77/78/385947778.db2.gz RYNPKQDSUDBGSO-RYUDHWBXSA-N 1 2 242.363 1.210 20 0 BDADLO [NH3+][C@H](C(=O)NC1CC1)c1c(F)cccc1F ZINC000335051742 385948177 /nfs/dbraw/zinc/94/81/77/385948177.db2.gz TYAOEPPWAZLFMX-JTQLQIEISA-N 1 2 226.226 1.243 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000425398326 385948119 /nfs/dbraw/zinc/94/81/19/385948119.db2.gz CAOPATBBUDWYBT-AAEUAGOBSA-N 1 2 243.347 1.733 20 0 BDADLO COCCC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425399596 385949672 /nfs/dbraw/zinc/94/96/72/385949672.db2.gz PBZYYJSAPOSARM-UHFFFAOYSA-N 1 2 235.234 1.476 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425399596 385949683 /nfs/dbraw/zinc/94/96/83/385949683.db2.gz PBZYYJSAPOSARM-UHFFFAOYSA-N 1 2 235.234 1.476 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccncc2)C[C@@H](CO)O1 ZINC000425991465 385956859 /nfs/dbraw/zinc/95/68/59/385956859.db2.gz VVNMKENACBQUOX-VJTBZZIASA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)C[C@@H](CO)O1 ZINC000425991465 385956866 /nfs/dbraw/zinc/95/68/66/385956866.db2.gz VVNMKENACBQUOX-VJTBZZIASA-N 1 2 248.326 1.176 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cnn(C)c2)c[nH+]1 ZINC000335059170 385961396 /nfs/dbraw/zinc/96/13/96/385961396.db2.gz QWQNSPOFWDANMK-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCO[C@H]2C)c[nH+]1 ZINC000335059111 385961686 /nfs/dbraw/zinc/96/16/86/385961686.db2.gz PJERSAZLLXXWIH-AAEUAGOBSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1C ZINC000295113302 385969672 /nfs/dbraw/zinc/96/96/72/385969672.db2.gz WIXMHCIIBJGISU-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1C ZINC000295113302 385969680 /nfs/dbraw/zinc/96/96/80/385969680.db2.gz WIXMHCIIBJGISU-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO CN(Cc1c[nH+]cn1C)Cc1ccccn1 ZINC000273381340 385994339 /nfs/dbraw/zinc/99/43/39/385994339.db2.gz HSANEEHGLTZKTQ-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1nccn1C ZINC000189549199 386026676 /nfs/dbraw/zinc/02/66/76/386026676.db2.gz QBWDVUOZCVJCLR-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CC(C)(C)CN1C(=O)C(C)(C)[NH2+][C@H]1C1CC1 ZINC000414187211 386028237 /nfs/dbraw/zinc/02/82/37/386028237.db2.gz QFOXDOVBKDMBRW-SNVBAGLBSA-N 1 2 224.348 1.979 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000353493258 386032527 /nfs/dbraw/zinc/03/25/27/386032527.db2.gz WRYFYKZTMGGONQ-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000353493258 386032531 /nfs/dbraw/zinc/03/25/31/386032531.db2.gz WRYFYKZTMGGONQ-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CCONC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000273793325 386038002 /nfs/dbraw/zinc/03/80/02/386038002.db2.gz YUQDFLYSBOVCCS-UHFFFAOYSA-N 1 2 234.259 1.716 20 0 BDADLO CN(CCCCCO)c1nc[nH+]c(N)c1Cl ZINC000234273133 386041154 /nfs/dbraw/zinc/04/11/54/386041154.db2.gz VZRWUWHMLDNMOL-UHFFFAOYSA-N 1 2 244.726 1.311 20 0 BDADLO CN(CCCCCO)c1[nH+]cnc(N)c1Cl ZINC000234273133 386041159 /nfs/dbraw/zinc/04/11/59/386041159.db2.gz VZRWUWHMLDNMOL-UHFFFAOYSA-N 1 2 244.726 1.311 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC(C2CC2)C1 ZINC000643289316 386057231 /nfs/dbraw/zinc/05/72/31/386057231.db2.gz CYNDDJBCCSUYNF-UHFFFAOYSA-N 1 2 219.288 1.142 20 0 BDADLO CO[C@H](C[N@@H+]1CCNC(=O)[C@@H]1C)c1ccccc1 ZINC000338549054 386046440 /nfs/dbraw/zinc/04/64/40/386046440.db2.gz MEPNGUNAWRLOHP-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C[N@H+]1CCNC(=O)[C@@H]1C)c1ccccc1 ZINC000338549054 386046444 /nfs/dbraw/zinc/04/64/44/386046444.db2.gz MEPNGUNAWRLOHP-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC(C2CC2)C1 ZINC000643286352 386050422 /nfs/dbraw/zinc/05/04/22/386050422.db2.gz SFNFGDHJKWEBCU-UHFFFAOYSA-N 1 2 233.315 1.532 20 0 BDADLO CCCc1noc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000273909250 386051267 /nfs/dbraw/zinc/05/12/67/386051267.db2.gz AKQAUYLKUPAQMF-MRVPVSSYSA-N 1 2 235.291 1.596 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000425434636 386052120 /nfs/dbraw/zinc/05/21/20/386052120.db2.gz QJRXSPUQXIXGBL-DLOVCJGASA-N 1 2 243.347 1.589 20 0 BDADLO CON(CC(C)(C)C)C(=O)Cc1[nH]c[nH+]c1C ZINC000286557556 386053632 /nfs/dbraw/zinc/05/36/32/386053632.db2.gz QMZWXSGJDXIWRP-UHFFFAOYSA-N 1 2 239.319 1.697 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCC=C(F)C1 ZINC000295886531 386101541 /nfs/dbraw/zinc/10/15/41/386101541.db2.gz BEYFNCQFLGFILJ-UHFFFAOYSA-N 1 2 207.252 1.723 20 0 BDADLO Nc1ncccc1C[N@H+]1CCC=C(F)C1 ZINC000295886531 386101544 /nfs/dbraw/zinc/10/15/44/386101544.db2.gz BEYFNCQFLGFILJ-UHFFFAOYSA-N 1 2 207.252 1.723 20 0 BDADLO CCC[NH2+][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000189865534 386106026 /nfs/dbraw/zinc/10/60/26/386106026.db2.gz DQDFMZYAHVWGNJ-GXFFZTMASA-N 1 2 243.347 1.733 20 0 BDADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000334455176 386106565 /nfs/dbraw/zinc/10/65/65/386106565.db2.gz FXPCTDVNDQCEGF-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000295944933 386112365 /nfs/dbraw/zinc/11/23/65/386112365.db2.gz GQXIEPRFRBQRHF-NSHDSACASA-N 1 2 211.284 1.744 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000295944933 386112368 /nfs/dbraw/zinc/11/23/68/386112368.db2.gz GQXIEPRFRBQRHF-NSHDSACASA-N 1 2 211.284 1.744 20 0 BDADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000343173092 386116564 /nfs/dbraw/zinc/11/65/64/386116564.db2.gz YVUQVDGCOGPDJK-VIFPVBQESA-N 1 2 219.288 1.066 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334461511 386119770 /nfs/dbraw/zinc/11/97/70/386119770.db2.gz WDFHQXMMRZMSSG-JTQLQIEISA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334461511 386119772 /nfs/dbraw/zinc/11/97/72/386119772.db2.gz WDFHQXMMRZMSSG-JTQLQIEISA-N 1 2 247.342 1.819 20 0 BDADLO O=C(CC1CC1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000334462919 386120793 /nfs/dbraw/zinc/12/07/93/386120793.db2.gz YHGJANJINGUJFN-ZDUSSCGKSA-N 1 2 245.326 1.355 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1C[C@@H]1C ZINC000334442134 386061403 /nfs/dbraw/zinc/06/14/03/386061403.db2.gz COXIQJRQRMGCRM-WCBMZHEXSA-N 1 2 204.273 1.797 20 0 BDADLO COC[C@H](C)[NH+]1CCN([C@@H]2CCSC2)CC1 ZINC000366098219 386062899 /nfs/dbraw/zinc/06/28/99/386062899.db2.gz OEBKKTSIALMJEF-NWDGAFQWSA-N 1 2 244.404 1.144 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1F)C(C)(C)C(N)=O ZINC000295649642 386066244 /nfs/dbraw/zinc/06/62/44/386066244.db2.gz HHLIVJQVRHBDHX-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1F)C(C)(C)C(N)=O ZINC000295649642 386066246 /nfs/dbraw/zinc/06/62/46/386066246.db2.gz HHLIVJQVRHBDHX-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC(C2CC2)C1 ZINC000643291141 386066692 /nfs/dbraw/zinc/06/66/92/386066692.db2.gz ASPVRVFVDPUAEG-UHFFFAOYSA-N 1 2 219.288 1.211 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000335060824 386071535 /nfs/dbraw/zinc/07/15/35/386071535.db2.gz ZXVISCMCPXWBNK-NWDGAFQWSA-N 1 2 248.326 1.740 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338586821 386073514 /nfs/dbraw/zinc/07/35/14/386073514.db2.gz HKHWPLUVYISUJL-LBPRGKRZSA-N 1 2 241.310 1.370 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338586821 386073522 /nfs/dbraw/zinc/07/35/22/386073522.db2.gz HKHWPLUVYISUJL-LBPRGKRZSA-N 1 2 241.310 1.370 20 0 BDADLO COC(=O)[C@@H](C)SCc1c[nH+]ccc1OC ZINC000286791721 386074900 /nfs/dbraw/zinc/07/49/00/386074900.db2.gz ZSWOFLKSDGEAOU-MRVPVSSYSA-N 1 2 241.312 1.885 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000331838345 386075286 /nfs/dbraw/zinc/07/52/86/386075286.db2.gz FRSBBYFUQLSRMR-BXKDBHETSA-N 1 2 221.304 1.771 20 0 BDADLO CO[C@@H](C[N@@H+]1CCn2cnnc2[C@@H]1C)C1CC1 ZINC000425445227 386078633 /nfs/dbraw/zinc/07/86/33/386078633.db2.gz NPWMVFSEHIUTDG-ONGXEEELSA-N 1 2 236.319 1.080 20 0 BDADLO CO[C@@H](C[N@H+]1CCn2cnnc2[C@@H]1C)C1CC1 ZINC000425445227 386078635 /nfs/dbraw/zinc/07/86/35/386078635.db2.gz NPWMVFSEHIUTDG-ONGXEEELSA-N 1 2 236.319 1.080 20 0 BDADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367785484 386086890 /nfs/dbraw/zinc/08/68/90/386086890.db2.gz WOFXVMKKJIOZFS-UONOGXRCSA-N 1 2 232.327 1.726 20 0 BDADLO CN(C)c1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367785484 386086896 /nfs/dbraw/zinc/08/68/96/386086896.db2.gz WOFXVMKKJIOZFS-UONOGXRCSA-N 1 2 232.327 1.726 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCCOC1 ZINC000286977219 386089356 /nfs/dbraw/zinc/08/93/56/386089356.db2.gz BREXMVVSCVBBAJ-NSHDSACASA-N 1 2 249.314 1.999 20 0 BDADLO C[C@H]1[C@@H](NCc2ccco2)CCC[N@H+]1C ZINC000336772955 386090333 /nfs/dbraw/zinc/09/03/33/386090333.db2.gz YNOQDFZQENWEEB-JQWIXIFHSA-N 1 2 208.305 1.852 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334458856 386099664 /nfs/dbraw/zinc/09/96/64/386099664.db2.gz KTISZEBSTFHMID-ZYHUDNBSSA-N 1 2 247.342 1.702 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)ncc1F ZINC000296198471 386147621 /nfs/dbraw/zinc/14/76/21/386147621.db2.gz YZOSPHSEQNHZSY-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(F)ncc1F ZINC000296198471 386147625 /nfs/dbraw/zinc/14/76/25/386147625.db2.gz YZOSPHSEQNHZSY-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(F)ncc1F ZINC000296198469 386147895 /nfs/dbraw/zinc/14/78/95/386147895.db2.gz YZOSPHSEQNHZSY-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(F)ncc1F ZINC000296198469 386147902 /nfs/dbraw/zinc/14/79/02/386147902.db2.gz YZOSPHSEQNHZSY-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO CC[C@](C)([NH2+]CCc1cscn1)C(=O)OC ZINC000296225418 386151892 /nfs/dbraw/zinc/15/18/92/386151892.db2.gz HBYSXWSRYGSJGL-NSHDSACASA-N 1 2 242.344 1.617 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000414366492 386152830 /nfs/dbraw/zinc/15/28/30/386152830.db2.gz CADHRKWUDKVXIF-QWRGUYRKSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000414366492 386152834 /nfs/dbraw/zinc/15/28/34/386152834.db2.gz CADHRKWUDKVXIF-QWRGUYRKSA-N 1 2 235.331 1.648 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)CC12CCC2 ZINC000440781102 386153903 /nfs/dbraw/zinc/15/39/03/386153903.db2.gz SAMDUIMJTGAIRC-SNVBAGLBSA-N 1 2 235.335 1.222 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)CC12CCC2 ZINC000440781102 386153908 /nfs/dbraw/zinc/15/39/08/386153908.db2.gz SAMDUIMJTGAIRC-SNVBAGLBSA-N 1 2 235.335 1.222 20 0 BDADLO CC(F)(F)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335159286 386155055 /nfs/dbraw/zinc/15/50/55/386155055.db2.gz ZDJCNHLRXYOJLX-ZETCQYMHSA-N 1 2 243.257 1.429 20 0 BDADLO CC(F)(F)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335159286 386155059 /nfs/dbraw/zinc/15/50/59/386155059.db2.gz ZDJCNHLRXYOJLX-ZETCQYMHSA-N 1 2 243.257 1.429 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)CO1 ZINC000645391684 386161308 /nfs/dbraw/zinc/16/13/08/386161308.db2.gz KZGHOVCTDCHYNG-VHSXEESVSA-N 1 2 235.331 1.785 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)n[nH]1 ZINC000334477345 386162471 /nfs/dbraw/zinc/16/24/71/386162471.db2.gz PZSXIYXGXXSJFM-GHMZBOCLSA-N 1 2 207.277 1.163 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)n[nH]1 ZINC000334477345 386162473 /nfs/dbraw/zinc/16/24/73/386162473.db2.gz PZSXIYXGXXSJFM-GHMZBOCLSA-N 1 2 207.277 1.163 20 0 BDADLO C[C@H](CF)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000288085924 386167136 /nfs/dbraw/zinc/16/71/36/386167136.db2.gz QEKIRQRPOCVWHI-MRVPVSSYSA-N 1 2 221.235 1.422 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000414372122 386171861 /nfs/dbraw/zinc/17/18/61/386171861.db2.gz OXMHWWFGOFFBHT-UHFFFAOYSA-N 1 2 235.331 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000414372122 386171864 /nfs/dbraw/zinc/17/18/64/386171864.db2.gz OXMHWWFGOFFBHT-UHFFFAOYSA-N 1 2 235.331 1.650 20 0 BDADLO CC/C=C/CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000296459884 386174844 /nfs/dbraw/zinc/17/48/44/386174844.db2.gz WCEWKKLMUCRPGD-SGUJLRQBSA-N 1 2 236.319 1.537 20 0 BDADLO CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000263877700 386185307 /nfs/dbraw/zinc/18/53/07/386185307.db2.gz ZQAMNOOHKZEXKL-NSHDSACASA-N 1 2 238.335 1.712 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H](O)C(C)(C)C)no1 ZINC000340277119 386188261 /nfs/dbraw/zinc/18/82/61/386188261.db2.gz GRPWRZPRRRGXDX-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H](O)C(C)(C)C)no1 ZINC000340277119 386188267 /nfs/dbraw/zinc/18/82/67/386188267.db2.gz GRPWRZPRRRGXDX-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO COC(=O)C[N@H+](Cc1cncc(C)c1)C(C)C ZINC000189937629 386125187 /nfs/dbraw/zinc/12/51/87/386125187.db2.gz WYACNBXQOONLNJ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1cncc(C)c1)C(C)C ZINC000189937629 386125192 /nfs/dbraw/zinc/12/51/92/386125192.db2.gz WYACNBXQOONLNJ-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](O)C1CC1 ZINC000287475655 386126929 /nfs/dbraw/zinc/12/69/29/386126929.db2.gz JTUQWCBIHHQHSO-NSHDSACASA-N 1 2 249.314 1.591 20 0 BDADLO c1ncc(C[N@@H+]2CCOCC23CC3)s1 ZINC000334466881 386128693 /nfs/dbraw/zinc/12/86/93/386128693.db2.gz VVJLGWUPIREOBO-UHFFFAOYSA-N 1 2 210.302 1.508 20 0 BDADLO c1ncc(C[N@H+]2CCOCC23CC3)s1 ZINC000334466881 386128699 /nfs/dbraw/zinc/12/86/99/386128699.db2.gz VVJLGWUPIREOBO-UHFFFAOYSA-N 1 2 210.302 1.508 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OC(C)(C)C ZINC000130085243 386134535 /nfs/dbraw/zinc/13/45/35/386134535.db2.gz SSITUTWTTVUKCV-UHFFFAOYSA-N 1 2 211.265 1.445 20 0 BDADLO C[C@H]1CCN(c2ncnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000647872448 386137569 /nfs/dbraw/zinc/13/75/69/386137569.db2.gz CDEXNVRUKVMBBH-QWRGUYRKSA-N 1 2 246.318 1.099 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000274677613 386138047 /nfs/dbraw/zinc/13/80/47/386138047.db2.gz LNUIFPVFUXMBIZ-GWCFXTLKSA-N 1 2 235.331 1.719 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1=CCCCCC1 ZINC000274683817 386138245 /nfs/dbraw/zinc/13/82/45/386138245.db2.gz NMRJHEOMBDXOPJ-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000274677617 386138321 /nfs/dbraw/zinc/13/83/21/386138321.db2.gz LNUIFPVFUXMBIZ-GXFFZTMASA-N 1 2 235.331 1.719 20 0 BDADLO CC(F)(F)C(=O)NCCCNc1cccc[nH+]1 ZINC000288478546 386208279 /nfs/dbraw/zinc/20/82/79/386208279.db2.gz GIGQDDLKYLNKKD-UHFFFAOYSA-N 1 2 243.257 1.655 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC(C1CC1)C1CC1 ZINC000264131728 386208768 /nfs/dbraw/zinc/20/87/68/386208768.db2.gz IFBBHWPXXDQKSS-UHFFFAOYSA-N 1 2 248.330 1.408 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccs1)C(=O)NCCF ZINC000282808072 386211976 /nfs/dbraw/zinc/21/19/76/386211976.db2.gz REEIXNYCLUIIKQ-HTQZYQBOSA-N 1 2 245.323 1.268 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C)CCCC1 ZINC000264164151 386213072 /nfs/dbraw/zinc/21/30/72/386213072.db2.gz KRJOQNDLQRQCBH-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264208245 386217242 /nfs/dbraw/zinc/21/72/42/386217242.db2.gz RNXOCYVQJXGEKL-WCQYABFASA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264208245 386217245 /nfs/dbraw/zinc/21/72/45/386217245.db2.gz RNXOCYVQJXGEKL-WCQYABFASA-N 1 2 249.285 1.931 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cc(C2CC2)on1 ZINC000264257393 386219962 /nfs/dbraw/zinc/21/99/62/386219962.db2.gz CHCDFQBNCPIHNA-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000408403352 386221782 /nfs/dbraw/zinc/22/17/82/386221782.db2.gz DDMQBXIMBMKIOV-JGVFFNPUSA-N 1 2 246.318 1.180 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](O)C(C)(C)C)CCCC1 ZINC000340291883 386224627 /nfs/dbraw/zinc/22/46/27/386224627.db2.gz MLNWEMBFDOLFOT-SNVBAGLBSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1ccc(Cc2noc(C3(O)CCC3)n2)c[nH+]1 ZINC000275633423 386226817 /nfs/dbraw/zinc/22/68/17/386226817.db2.gz ALMVVSARYJYFNL-UHFFFAOYSA-N 1 2 245.282 1.735 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccncc1F ZINC000226223860 386239848 /nfs/dbraw/zinc/23/98/48/386239848.db2.gz BMJJYQIBHRFCDG-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO CCOc1nnc(C[N@@H+]2CCC[C@H]2C)s1 ZINC000336642630 386245149 /nfs/dbraw/zinc/24/51/49/386245149.db2.gz AMUDNBOIMSQIDJ-MRVPVSSYSA-N 1 2 227.333 1.921 20 0 BDADLO CCOc1nnc(C[N@H+]2CCC[C@H]2C)s1 ZINC000336642630 386245153 /nfs/dbraw/zinc/24/51/53/386245153.db2.gz AMUDNBOIMSQIDJ-MRVPVSSYSA-N 1 2 227.333 1.921 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)nc1 ZINC000339098714 386246013 /nfs/dbraw/zinc/24/60/13/386246013.db2.gz FNHICGYGUAKYMO-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)nc1 ZINC000339098714 386246019 /nfs/dbraw/zinc/24/60/19/386246019.db2.gz FNHICGYGUAKYMO-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO CO[C@H](C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264555463 386247006 /nfs/dbraw/zinc/24/70/06/386247006.db2.gz ZPVRGGJSEVHXDZ-SNVBAGLBSA-N 1 2 247.298 1.489 20 0 BDADLO C[C@@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275907454 386252699 /nfs/dbraw/zinc/25/26/99/386252699.db2.gz WLOFNCVXRSATDP-ZYHUDNBSSA-N 1 2 246.314 1.112 20 0 BDADLO Cc1nc(NCCc2cccc(F)c2)nc(N)[nH+]1 ZINC000310721114 386252902 /nfs/dbraw/zinc/25/29/02/386252902.db2.gz IJOCCZJDPAJJLF-UHFFFAOYSA-N 1 2 247.277 1.556 20 0 BDADLO Cc1nc(N)nc(NCCc2cccc(F)c2)[nH+]1 ZINC000310721114 386252906 /nfs/dbraw/zinc/25/29/06/386252906.db2.gz IJOCCZJDPAJJLF-UHFFFAOYSA-N 1 2 247.277 1.556 20 0 BDADLO CC1(C)C[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000264595910 386253025 /nfs/dbraw/zinc/25/30/25/386253025.db2.gz SMZUNRDMRQOKQR-SNVBAGLBSA-N 1 2 229.283 1.863 20 0 BDADLO CC(F)(F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000289064329 386257132 /nfs/dbraw/zinc/25/71/32/386257132.db2.gz BAIJKNQFICOWFG-UHFFFAOYSA-N 1 2 243.257 1.771 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000346419716 386194957 /nfs/dbraw/zinc/19/49/57/386194957.db2.gz YBNXKHLOMAOAIG-SNVBAGLBSA-N 1 2 249.362 1.949 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000346419716 386194962 /nfs/dbraw/zinc/19/49/62/386194962.db2.gz YBNXKHLOMAOAIG-SNVBAGLBSA-N 1 2 249.362 1.949 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000288425413 386199276 /nfs/dbraw/zinc/19/92/76/386199276.db2.gz BHIHWWIDVVASAO-FZMZJTMJSA-N 1 2 245.326 1.930 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ccc(C)nn2)CCO1 ZINC000414395172 386281218 /nfs/dbraw/zinc/28/12/18/386281218.db2.gz MIVOVEUFPXKDAK-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ccc(C)nn2)CCO1 ZINC000414395172 386281224 /nfs/dbraw/zinc/28/12/24/386281224.db2.gz MIVOVEUFPXKDAK-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC12CCC2 ZINC000339168597 386282217 /nfs/dbraw/zinc/28/22/17/386282217.db2.gz GKXYRICAKOPMCY-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO CC1(C)CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000232781123 386324393 /nfs/dbraw/zinc/32/43/93/386324393.db2.gz YGEQBIXLNDTOAW-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO CC1(C)CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000232781123 386324399 /nfs/dbraw/zinc/32/43/99/386324399.db2.gz YGEQBIXLNDTOAW-UHFFFAOYSA-N 1 2 226.711 1.949 20 0 BDADLO C[C@H](O)CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289358713 386289917 /nfs/dbraw/zinc/28/99/17/386289917.db2.gz YZKFYDPIZBDNCV-JQWIXIFHSA-N 1 2 246.314 1.255 20 0 BDADLO CC[C@H]1C[N@H+](Cc2csnn2)CCCO1 ZINC000336666547 386293862 /nfs/dbraw/zinc/29/38/62/386293862.db2.gz DMUQEVOUBOVXQG-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2csnn2)CCCO1 ZINC000336666547 386293865 /nfs/dbraw/zinc/29/38/65/386293865.db2.gz DMUQEVOUBOVXQG-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO O=C1OCC[C@H]1[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000366986659 386300054 /nfs/dbraw/zinc/30/00/54/386300054.db2.gz FNIJAHWARXPFKR-VXGBXAGGSA-N 1 2 247.294 1.285 20 0 BDADLO COc1cc[nH+]cc1NCc1cc(C)nn1C ZINC000416424518 386300879 /nfs/dbraw/zinc/30/08/79/386300879.db2.gz DOAIGPNHVVEDHC-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO COC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289433566 386304207 /nfs/dbraw/zinc/30/42/07/386304207.db2.gz VXFMFICCBDQSOA-UHFFFAOYSA-N 1 2 232.283 1.344 20 0 BDADLO COC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289433566 386304212 /nfs/dbraw/zinc/30/42/12/386304212.db2.gz VXFMFICCBDQSOA-UHFFFAOYSA-N 1 2 232.283 1.344 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000289433870 386305430 /nfs/dbraw/zinc/30/54/30/386305430.db2.gz SIPNLJDVEOQWKG-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000289433870 386305434 /nfs/dbraw/zinc/30/54/34/386305434.db2.gz SIPNLJDVEOQWKG-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@](O)(C[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000265144866 386309314 /nfs/dbraw/zinc/30/93/14/386309314.db2.gz MREPAWZBVSPPFO-ZDUSSCGKSA-N 1 2 231.299 1.407 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000425518431 386309782 /nfs/dbraw/zinc/30/97/82/386309782.db2.gz YVXPZGQDMXXRMW-LBPRGKRZSA-N 1 2 242.363 1.295 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000425518431 386309787 /nfs/dbraw/zinc/30/97/87/386309787.db2.gz YVXPZGQDMXXRMW-LBPRGKRZSA-N 1 2 242.363 1.295 20 0 BDADLO COCCC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000347264872 386309769 /nfs/dbraw/zinc/30/97/69/386309769.db2.gz INGSYKYSHJOYSQ-QMMMGPOBSA-N 1 2 229.349 1.876 20 0 BDADLO COCCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000347264872 386309773 /nfs/dbraw/zinc/30/97/73/386309773.db2.gz INGSYKYSHJOYSQ-QMMMGPOBSA-N 1 2 229.349 1.876 20 0 BDADLO C[C@@]1([NH2+]CCc2ccccc2F)CCOC1=O ZINC000289477221 386312714 /nfs/dbraw/zinc/31/27/14/386312714.db2.gz HWOZCVSJQFAQIR-CYBMUJFWSA-N 1 2 237.274 1.663 20 0 BDADLO Cn1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)n1 ZINC000265223405 386317550 /nfs/dbraw/zinc/31/75/50/386317550.db2.gz HOIHHHGFURYOEG-ZDUSSCGKSA-N 1 2 249.289 1.382 20 0 BDADLO C[C@H](O)CNc1cc(NCC2CCC2)[nH+]cn1 ZINC000298290618 386319658 /nfs/dbraw/zinc/31/96/58/386319658.db2.gz QDOSTPCPHLMQPJ-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO C[C@H](O)CNc1cc(NCC2CCC2)nc[nH+]1 ZINC000298290618 386319665 /nfs/dbraw/zinc/31/96/65/386319665.db2.gz QDOSTPCPHLMQPJ-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnns2)CC[C@@H]1C ZINC000336675024 386320490 /nfs/dbraw/zinc/32/04/90/386320490.db2.gz HFRRVCJUYHEWCH-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1C ZINC000336675024 386320494 /nfs/dbraw/zinc/32/04/94/386320494.db2.gz HFRRVCJUYHEWCH-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC1(C)C ZINC000339162642 386269247 /nfs/dbraw/zinc/26/92/47/386269247.db2.gz CLQACPPEMWTMOH-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO CC[C@H](O)CNC(=O)Nc1cc[nH+]cc1C ZINC000297729361 386275745 /nfs/dbraw/zinc/27/57/45/386275745.db2.gz KGYNZACYKLAJFV-VIFPVBQESA-N 1 2 223.276 1.282 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ccno2)CCO1 ZINC000276121660 386275843 /nfs/dbraw/zinc/27/58/43/386275843.db2.gz YXQBNVDGZMKEHT-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ccno2)CCO1 ZINC000276121660 386275850 /nfs/dbraw/zinc/27/58/50/386275850.db2.gz YXQBNVDGZMKEHT-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO COCc1nc(C[N@H+](C)C[C@H](C)OC)cs1 ZINC000336659248 386276722 /nfs/dbraw/zinc/27/67/22/386276722.db2.gz MXSYIHXDGNZJHA-VIFPVBQESA-N 1 2 244.360 1.756 20 0 BDADLO COCc1nc(C[N@@H+](C)C[C@H](C)OC)cs1 ZINC000336659248 386276723 /nfs/dbraw/zinc/27/67/23/386276723.db2.gz MXSYIHXDGNZJHA-VIFPVBQESA-N 1 2 244.360 1.756 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cccc(Cl)c1 ZINC000297763285 386278961 /nfs/dbraw/zinc/27/89/61/386278961.db2.gz LRTPLEWCNRRPLN-UHFFFAOYSA-N 1 2 241.718 1.987 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cccc(Cl)c1 ZINC000297763285 386278965 /nfs/dbraw/zinc/27/89/65/386278965.db2.gz LRTPLEWCNRRPLN-UHFFFAOYSA-N 1 2 241.718 1.987 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccccn2)C1 ZINC000297780696 386279714 /nfs/dbraw/zinc/27/97/14/386279714.db2.gz WFMKGKQYLTZXNZ-UHFFFAOYSA-N 1 2 236.315 1.319 20 0 BDADLO Cc1cc(NC2(CO)CC2)nc(C(C)C)[nH+]1 ZINC000157510563 386342928 /nfs/dbraw/zinc/34/29/28/386342928.db2.gz SSEPUHYQFBDVBO-UHFFFAOYSA-N 1 2 221.304 1.845 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc2cccnc2s1 ZINC000339291475 386346636 /nfs/dbraw/zinc/34/66/36/386346636.db2.gz CQTWPZFYZJHJAE-VIFPVBQESA-N 1 2 249.339 1.912 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc2cccnc2s1 ZINC000339291475 386346641 /nfs/dbraw/zinc/34/66/41/386346641.db2.gz CQTWPZFYZJHJAE-VIFPVBQESA-N 1 2 249.339 1.912 20 0 BDADLO CCC[C@@H](O)CSc1nc(N)cc(C)[nH+]1 ZINC000298446905 386347411 /nfs/dbraw/zinc/34/74/11/386347411.db2.gz SDSPZXLZRYBZPN-MRVPVSSYSA-N 1 2 227.333 1.620 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(C)on3)C2)c1 ZINC000289729697 386347593 /nfs/dbraw/zinc/34/75/93/386347593.db2.gz DISPMBWDRHGNIS-ZDUSSCGKSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3cc(C)on3)C2)c1 ZINC000289729697 386347599 /nfs/dbraw/zinc/34/75/99/386347599.db2.gz DISPMBWDRHGNIS-ZDUSSCGKSA-N 1 2 246.314 1.935 20 0 BDADLO COC1(C)CC[NH+](Cc2csnn2)CC1 ZINC000336687207 386348871 /nfs/dbraw/zinc/34/88/71/386348871.db2.gz LHMHTYUFASJUBM-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000334493104 386349442 /nfs/dbraw/zinc/34/94/42/386349442.db2.gz CUSDSSFAUCZUGB-ZYHUDNBSSA-N 1 2 231.299 1.828 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2C)c[nH+]1 ZINC000334509905 386351735 /nfs/dbraw/zinc/35/17/35/386351735.db2.gz JXDMSIDOMKGWEB-BXKDBHETSA-N 1 2 233.315 1.906 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000334493166 386351993 /nfs/dbraw/zinc/35/19/93/386351993.db2.gz GMXZMURDWVWNOH-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000334493166 386351998 /nfs/dbraw/zinc/35/19/98/386351998.db2.gz GMXZMURDWVWNOH-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC[C@@H](C)O)s1 ZINC000347313197 386352558 /nfs/dbraw/zinc/35/25/58/386352558.db2.gz QLBCYRYWXMKFIE-SFYZADRCSA-N 1 2 229.349 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC[C@@H](C)O)s1 ZINC000347313197 386352567 /nfs/dbraw/zinc/35/25/67/386352567.db2.gz QLBCYRYWXMKFIE-SFYZADRCSA-N 1 2 229.349 1.610 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000276618915 386354440 /nfs/dbraw/zinc/35/44/40/386354440.db2.gz QLZQXVHYYUKFDG-ANNNZRCOSA-N 1 2 235.287 1.107 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343212718 386354985 /nfs/dbraw/zinc/35/49/85/386354985.db2.gz RPGGXJTZQHQQAD-SRVKXCTJSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1cn2cc(NC(=O)N[C@@H](C)CO)ccc2[nH+]1 ZINC000265724965 386361824 /nfs/dbraw/zinc/36/18/24/386361824.db2.gz QIFCPFCZPCLUBB-VIFPVBQESA-N 1 2 248.286 1.145 20 0 BDADLO CC(C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276668090 386363166 /nfs/dbraw/zinc/36/31/66/386363166.db2.gz UMFGPHPJAODHHU-SECBINFHSA-N 1 2 209.293 1.879 20 0 BDADLO COc1coc(C[N@@H+]2CC[C@](C)(F)C2)cc1=O ZINC000347364442 386366133 /nfs/dbraw/zinc/36/61/33/386366133.db2.gz YBBFJGREHUSRES-LBPRGKRZSA-N 1 2 241.262 1.582 20 0 BDADLO COc1coc(C[N@H+]2CC[C@](C)(F)C2)cc1=O ZINC000347364442 386366137 /nfs/dbraw/zinc/36/61/37/386366137.db2.gz YBBFJGREHUSRES-LBPRGKRZSA-N 1 2 241.262 1.582 20 0 BDADLO CCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265762776 386367480 /nfs/dbraw/zinc/36/74/80/386367480.db2.gz MHUPQFGRSBCLTN-SNVBAGLBSA-N 1 2 209.293 1.436 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1ncc(C3CC3)o1)C2 ZINC000647933688 386367882 /nfs/dbraw/zinc/36/78/82/386367882.db2.gz YCGVBDKCBNNKEW-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347372798 386370089 /nfs/dbraw/zinc/37/00/89/386370089.db2.gz KIELIBPFECPLKG-CMPLNLGQSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347372798 386370097 /nfs/dbraw/zinc/37/00/97/386370097.db2.gz KIELIBPFECPLKG-CMPLNLGQSA-N 1 2 230.327 1.581 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@@H]1OC ZINC000276799015 386377812 /nfs/dbraw/zinc/37/78/12/386377812.db2.gz CKHZIIFTASIWAL-PHIMTYICSA-N 1 2 240.303 1.137 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@@H]1OC ZINC000276799015 386377816 /nfs/dbraw/zinc/37/78/16/386377816.db2.gz CKHZIIFTASIWAL-PHIMTYICSA-N 1 2 240.303 1.137 20 0 BDADLO OCC[C@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000336698456 386380864 /nfs/dbraw/zinc/38/08/64/386380864.db2.gz JUBYYOAQVJRPND-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO OCC[C@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000336698456 386380865 /nfs/dbraw/zinc/38/08/65/386380865.db2.gz JUBYYOAQVJRPND-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@H+](CCO)Cc1nccn1Cc1ccccc1 ZINC000298785865 386384932 /nfs/dbraw/zinc/38/49/32/386384932.db2.gz XKZBEQOZHVIGTM-UHFFFAOYSA-N 1 2 245.326 1.356 20 0 BDADLO C[N@@H+](CCO)Cc1nccn1Cc1ccccc1 ZINC000298785865 386384938 /nfs/dbraw/zinc/38/49/38/386384938.db2.gz XKZBEQOZHVIGTM-UHFFFAOYSA-N 1 2 245.326 1.356 20 0 BDADLO CCC[C@H](O)CSc1nc(N)cc(CC)[nH+]1 ZINC000298346922 386327163 /nfs/dbraw/zinc/32/71/63/386327163.db2.gz SPZSFYBELHUFIB-VIFPVBQESA-N 1 2 241.360 1.874 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347330163 386328797 /nfs/dbraw/zinc/32/87/97/386328797.db2.gz FFSYFJQPGVEQCK-UWVGGRQHSA-N 1 2 207.264 1.531 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347330163 386328801 /nfs/dbraw/zinc/32/88/01/386328801.db2.gz FFSYFJQPGVEQCK-UWVGGRQHSA-N 1 2 207.264 1.531 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000289562227 386328900 /nfs/dbraw/zinc/32/89/00/386328900.db2.gz RCXHZAYZQYOUDA-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000289562227 386328904 /nfs/dbraw/zinc/32/89/04/386328904.db2.gz RCXHZAYZQYOUDA-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CCCCO ZINC000276476359 386330638 /nfs/dbraw/zinc/33/06/38/386330638.db2.gz ZOYMOKXMTGGBGO-UHFFFAOYSA-N 1 2 237.303 1.626 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@H]1CCOC1 ZINC000336683441 386331423 /nfs/dbraw/zinc/33/14/23/386331423.db2.gz IWKPRSCQICJPGS-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@H]1CCOC1 ZINC000336683441 386331425 /nfs/dbraw/zinc/33/14/25/386331425.db2.gz IWKPRSCQICJPGS-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276508270 386336065 /nfs/dbraw/zinc/33/60/65/386336065.db2.gz AUYQKXQILDKWHQ-PRANIUCASA-N 1 2 249.314 1.185 20 0 BDADLO Cn1ncc(C[N@@H+]2CCCc3ccccc3C2)n1 ZINC000290042025 386386131 /nfs/dbraw/zinc/38/61/31/386386131.db2.gz QYZPIECVWFXRAX-UHFFFAOYSA-N 1 2 242.326 1.764 20 0 BDADLO Cn1ncc(C[N@H+]2CCCc3ccccc3C2)n1 ZINC000290042025 386386136 /nfs/dbraw/zinc/38/61/36/386386136.db2.gz QYZPIECVWFXRAX-UHFFFAOYSA-N 1 2 242.326 1.764 20 0 BDADLO CC(C)(CF)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334490602 386339156 /nfs/dbraw/zinc/33/91/56/386339156.db2.gz MYIPUKKRXHPJCW-SECBINFHSA-N 1 2 239.294 1.310 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000336712281 386437029 /nfs/dbraw/zinc/43/70/29/386437029.db2.gz RRMMOIVYXBUJNU-SCZZXKLOSA-N 1 2 237.303 1.729 20 0 BDADLO CO[C@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000336712281 386437034 /nfs/dbraw/zinc/43/70/34/386437034.db2.gz RRMMOIVYXBUJNU-SCZZXKLOSA-N 1 2 237.303 1.729 20 0 BDADLO Cc1cnc(C[NH+]2CCC([C@@H](C)O)CC2)nc1 ZINC000336717539 386437932 /nfs/dbraw/zinc/43/79/32/386437932.db2.gz WJFMHEHMNATODY-LLVKDONJSA-N 1 2 235.331 1.378 20 0 BDADLO CCCc1nc(C[NH2+]C(C)(C)COCC)no1 ZINC000339370485 386391270 /nfs/dbraw/zinc/39/12/70/386391270.db2.gz YPBMUQVMFNSARQ-UHFFFAOYSA-N 1 2 241.335 1.927 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC[C@H]2C)s1 ZINC000266017611 386391449 /nfs/dbraw/zinc/39/14/49/386391449.db2.gz OXAFIKOVPKKMNX-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC[C@H]2C)s1 ZINC000266017611 386391453 /nfs/dbraw/zinc/39/14/53/386391453.db2.gz OXAFIKOVPKKMNX-MRVPVSSYSA-N 1 2 226.345 1.981 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000266043026 386393482 /nfs/dbraw/zinc/39/34/82/386393482.db2.gz WQITULKSMDOBRE-GLKRBJQHSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccncc1 ZINC000266043026 386393484 /nfs/dbraw/zinc/39/34/84/386393484.db2.gz WQITULKSMDOBRE-GLKRBJQHSA-N 1 2 238.356 1.423 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2=O)o1 ZINC000336705511 386394914 /nfs/dbraw/zinc/39/49/14/386394914.db2.gz HYQOJQGHWDRYOI-ZDUSSCGKSA-N 1 2 248.326 1.783 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2=O)o1 ZINC000336705511 386394918 /nfs/dbraw/zinc/39/49/18/386394918.db2.gz HYQOJQGHWDRYOI-ZDUSSCGKSA-N 1 2 248.326 1.783 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000290122081 386395900 /nfs/dbraw/zinc/39/59/00/386395900.db2.gz UGQGGRUUEKUMRF-UHFFFAOYSA-N 1 2 249.314 1.003 20 0 BDADLO Nc1ncccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000290122081 386395905 /nfs/dbraw/zinc/39/59/05/386395905.db2.gz UGQGGRUUEKUMRF-UHFFFAOYSA-N 1 2 249.314 1.003 20 0 BDADLO CCN(C[C@H]1CCCO1)c1cc[nH+]c(C)n1 ZINC000266120345 386401179 /nfs/dbraw/zinc/40/11/79/386401179.db2.gz MGMVZJNZINQLLN-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000336702113 386404589 /nfs/dbraw/zinc/40/45/89/386404589.db2.gz NCLCGRKVGAHREH-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000336702113 386404592 /nfs/dbraw/zinc/40/45/92/386404592.db2.gz NCLCGRKVGAHREH-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Nc1ccc(NC(=O)c2cnn(C3CC3)c2)c[nH+]1 ZINC000637829224 386405289 /nfs/dbraw/zinc/40/52/89/386405289.db2.gz ZPWLMFKYPLHNSD-UHFFFAOYSA-N 1 2 243.270 1.278 20 0 BDADLO Cn1cnnc1C[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336702463 386408260 /nfs/dbraw/zinc/40/82/60/386408260.db2.gz LFDIDJFJLUSMBD-SNVBAGLBSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336702463 386408264 /nfs/dbraw/zinc/40/82/64/386408264.db2.gz LFDIDJFJLUSMBD-SNVBAGLBSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334498724 386419868 /nfs/dbraw/zinc/41/98/68/386419868.db2.gz NPBAJEMMSIAOGA-VHSXEESVSA-N 1 2 236.319 1.844 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000336709364 386421282 /nfs/dbraw/zinc/42/12/82/386421282.db2.gz XBRRJGYQZUUBSE-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000336709364 386421285 /nfs/dbraw/zinc/42/12/85/386421285.db2.gz XBRRJGYQZUUBSE-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CO[C@H]1C[N@H+](Cc2csnn2)CC[C@H]1C ZINC000188323535 386423854 /nfs/dbraw/zinc/42/38/54/386423854.db2.gz BRNGMXKJCUABFD-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2csnn2)CC[C@H]1C ZINC000188323535 386423857 /nfs/dbraw/zinc/42/38/57/386423857.db2.gz BRNGMXKJCUABFD-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CC[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C(=O)OC ZINC000277313985 386427823 /nfs/dbraw/zinc/42/78/23/386427823.db2.gz TVXWHICIPFRNRW-JTQLQIEISA-N 1 2 236.271 1.528 20 0 BDADLO CN(CC1CC1)c1cc(N2CCCC2)nc[nH+]1 ZINC000277334599 386428614 /nfs/dbraw/zinc/42/86/14/386428614.db2.gz FJCOHURXNPERGF-UHFFFAOYSA-N 1 2 232.331 1.923 20 0 BDADLO CN(CC1CC1)c1cc(N2CCCC2)[nH+]cn1 ZINC000277334599 386428620 /nfs/dbraw/zinc/42/86/20/386428620.db2.gz FJCOHURXNPERGF-UHFFFAOYSA-N 1 2 232.331 1.923 20 0 BDADLO Cc1ccc(C[N@H+]2CC(C)(C)OC[C@@H]2C)nn1 ZINC000414431337 386429108 /nfs/dbraw/zinc/42/91/08/386429108.db2.gz HNWODEAVGAKDAK-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)nn1 ZINC000414431337 386429110 /nfs/dbraw/zinc/42/91/10/386429110.db2.gz HNWODEAVGAKDAK-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO CCC1(C(=O)N(C)Cc2[nH+]ccn2C)CCC1 ZINC000339435836 386430991 /nfs/dbraw/zinc/43/09/91/386430991.db2.gz DUPZCRUIFGTFCZ-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCSCC1 ZINC000277790699 386467011 /nfs/dbraw/zinc/46/70/11/386467011.db2.gz UYEKFMPJYKEEMR-OWOJBTEDSA-N 1 2 237.328 1.435 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(CC(C)C)no2)C1 ZINC000417273344 386468979 /nfs/dbraw/zinc/46/89/79/386468979.db2.gz WZRNKYQIIPOWJN-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(CC(C)C)no2)C1 ZINC000417273344 386468980 /nfs/dbraw/zinc/46/89/80/386468980.db2.gz WZRNKYQIIPOWJN-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339572581 386469259 /nfs/dbraw/zinc/46/92/59/386469259.db2.gz XQBYUANJRNKJQJ-HRDYMLBCSA-N 1 2 221.308 1.409 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339572581 386469263 /nfs/dbraw/zinc/46/92/63/386469263.db2.gz XQBYUANJRNKJQJ-HRDYMLBCSA-N 1 2 221.308 1.409 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000299631734 386474909 /nfs/dbraw/zinc/47/49/09/386474909.db2.gz OMMXYCUJWTYNCN-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000299631734 386474912 /nfs/dbraw/zinc/47/49/12/386474912.db2.gz OMMXYCUJWTYNCN-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339562692 386475016 /nfs/dbraw/zinc/47/50/16/386475016.db2.gz HNWSYKWZGCMTTD-DTWKUNHWSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1occc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000339562692 386475021 /nfs/dbraw/zinc/47/50/21/386475021.db2.gz HNWSYKWZGCMTTD-DTWKUNHWSA-N 1 2 223.272 1.906 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000266871584 386476123 /nfs/dbraw/zinc/47/61/23/386476123.db2.gz XTVARFHZTYMXNA-QMMMGPOBSA-N 1 2 248.286 1.306 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1CCCC1 ZINC000299654565 386477778 /nfs/dbraw/zinc/47/77/78/386477778.db2.gz LRTQABCCGYLQQW-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO NC(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000335467773 386483772 /nfs/dbraw/zinc/48/37/72/386483772.db2.gz QALWBALWHKAEET-NSHDSACASA-N 1 2 226.320 1.803 20 0 BDADLO NC(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000335467773 386483776 /nfs/dbraw/zinc/48/37/76/386483776.db2.gz QALWBALWHKAEET-NSHDSACASA-N 1 2 226.320 1.803 20 0 BDADLO Cc1cnc(CC[N@@H+]2CCNC(=O)[C@H]2C)c(C)c1 ZINC000335430750 386486816 /nfs/dbraw/zinc/48/68/16/386486816.db2.gz UBVDZSILMGPWBY-GFCCVEGCSA-N 1 2 247.342 1.061 20 0 BDADLO Cc1cnc(CC[N@H+]2CCNC(=O)[C@H]2C)c(C)c1 ZINC000335430750 386486820 /nfs/dbraw/zinc/48/68/20/386486820.db2.gz UBVDZSILMGPWBY-GFCCVEGCSA-N 1 2 247.342 1.061 20 0 BDADLO C[C@@H](CNC(=O)CC1CC1)Cn1cc[nH+]c1 ZINC000267082158 386490672 /nfs/dbraw/zinc/49/06/72/386490672.db2.gz JHOSGPBQKWKTLS-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO O=C(c1ccncc1F)N1CCn2c[nH+]cc2C1 ZINC000290970503 386494136 /nfs/dbraw/zinc/49/41/36/386494136.db2.gz SYCCZQMQYHWTMP-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000335440056 386500043 /nfs/dbraw/zinc/50/00/43/386500043.db2.gz GYMLMQHEMQXKQT-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000335440056 386500050 /nfs/dbraw/zinc/50/00/50/386500050.db2.gz GYMLMQHEMQXKQT-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000519621006 386509164 /nfs/dbraw/zinc/50/91/64/386509164.db2.gz VUYKPDCOUHUNMP-NXEZZACHSA-N 1 2 229.287 1.730 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@H](O)c1cccc(F)c1 ZINC000267202235 386510318 /nfs/dbraw/zinc/51/03/18/386510318.db2.gz OTCXHHHBZILVSA-RNCFNFMXSA-N 1 2 249.289 1.761 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(C)nc1 ZINC000267223284 386511079 /nfs/dbraw/zinc/51/10/79/386511079.db2.gz OHQAEJVMXGTUHK-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC1CCC1 ZINC000267215574 386511614 /nfs/dbraw/zinc/51/16/14/386511614.db2.gz UFKAHBWEVVDGIL-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CCC[C@H](C)N(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278376695 386517202 /nfs/dbraw/zinc/51/72/02/386517202.db2.gz LIELTYOMWHHGBY-QMMMGPOBSA-N 1 2 248.334 1.570 20 0 BDADLO CCc1nc(N2C[C@@H](O)CC[C@@H]2C)cc(C)[nH+]1 ZINC000399342624 386517525 /nfs/dbraw/zinc/51/75/25/386517525.db2.gz UKGHDEHLVFHKDM-QWRGUYRKSA-N 1 2 235.331 1.697 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@@H]1CCCSC1 ZINC000061578034 386519455 /nfs/dbraw/zinc/51/94/55/386519455.db2.gz PSQMIZPYHPZUEB-MRVPVSSYSA-N 1 2 217.334 1.423 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@H]1C[C@H]1c1ccccc1 ZINC000291186376 386522254 /nfs/dbraw/zinc/52/22/54/386522254.db2.gz OTPCUNBHXSRQKY-RYUDHWBXSA-N 1 2 228.299 1.793 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1C[C@H]1c1ccccc1 ZINC000291186376 386522261 /nfs/dbraw/zinc/52/22/61/386522261.db2.gz OTPCUNBHXSRQKY-RYUDHWBXSA-N 1 2 228.299 1.793 20 0 BDADLO Cc1cnc(CC[N@H+]2CCN(C)C(=O)C2)c(C)c1 ZINC000335451190 386524509 /nfs/dbraw/zinc/52/45/09/386524509.db2.gz ACPCNHBBVJPJGJ-UHFFFAOYSA-N 1 2 247.342 1.015 20 0 BDADLO Cc1cnc(CC[N@@H+]2CCN(C)C(=O)C2)c(C)c1 ZINC000335451190 386524512 /nfs/dbraw/zinc/52/45/12/386524512.db2.gz ACPCNHBBVJPJGJ-UHFFFAOYSA-N 1 2 247.342 1.015 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)nn1C ZINC000347572657 386456291 /nfs/dbraw/zinc/45/62/91/386456291.db2.gz YHYMQVWETUHATN-JTQLQIEISA-N 1 2 247.346 1.621 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCS1 ZINC000266652114 386457754 /nfs/dbraw/zinc/45/77/54/386457754.db2.gz ZSBFCPZSJJYNHP-VHSXEESVSA-N 1 2 239.344 1.283 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCC(F)(F)CC1 ZINC000347578010 386459115 /nfs/dbraw/zinc/45/91/15/386459115.db2.gz APHJLTJILMJBOD-UHFFFAOYSA-N 1 2 246.261 1.520 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCC(F)(F)CC1 ZINC000347578010 386459119 /nfs/dbraw/zinc/45/91/19/386459119.db2.gz APHJLTJILMJBOD-UHFFFAOYSA-N 1 2 246.261 1.520 20 0 BDADLO Cc1nsc(N2CCn3c[nH+]cc3C2)n1 ZINC000290621205 386459350 /nfs/dbraw/zinc/45/93/50/386459350.db2.gz GIVRABZJWDCESV-UHFFFAOYSA-N 1 2 221.289 1.063 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cnc(C)s2)n1 ZINC000336778687 386460381 /nfs/dbraw/zinc/46/03/81/386460381.db2.gz MAIWIHASTQDLGR-LURJTMIESA-N 1 2 238.316 1.994 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cncs1 ZINC000290625163 386461699 /nfs/dbraw/zinc/46/16/99/386461699.db2.gz XNXQFCIXIGKDQZ-VHSXEESVSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cncs1 ZINC000290625163 386461701 /nfs/dbraw/zinc/46/17/01/386461701.db2.gz XNXQFCIXIGKDQZ-VHSXEESVSA-N 1 2 242.344 1.115 20 0 BDADLO CCN(CC(C)C)C(=O)CCn1cc[nH+]c1 ZINC000299548106 386463897 /nfs/dbraw/zinc/46/38/97/386463897.db2.gz CMRVDGAOQHJPBB-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO Cc1cnc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)o1 ZINC000291732161 386576582 /nfs/dbraw/zinc/57/65/82/386576582.db2.gz JRHDZMNATKMBTF-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3ccon3)C2)c1 ZINC000291808912 386584296 /nfs/dbraw/zinc/58/42/96/386584296.db2.gz NJQUPLNSUDXXMB-LLVKDONJSA-N 1 2 218.260 1.318 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3ccon3)C2)c1 ZINC000291808912 386584302 /nfs/dbraw/zinc/58/43/02/386584302.db2.gz NJQUPLNSUDXXMB-LLVKDONJSA-N 1 2 218.260 1.318 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000336644105 386587431 /nfs/dbraw/zinc/58/74/31/386587431.db2.gz AANRKUMMDNMTOC-DTWKUNHWSA-N 1 2 217.334 1.423 20 0 BDADLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCO ZINC000267802183 386587501 /nfs/dbraw/zinc/58/75/01/386587501.db2.gz LFCNSXPCPAWLCE-CYBMUJFWSA-N 1 2 249.310 1.141 20 0 BDADLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCO ZINC000267802183 386587508 /nfs/dbraw/zinc/58/75/08/386587508.db2.gz LFCNSXPCPAWLCE-CYBMUJFWSA-N 1 2 249.310 1.141 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000648051389 386589856 /nfs/dbraw/zinc/58/98/56/386589856.db2.gz ZPMAGSPLDJFCAH-NSHDSACASA-N 1 2 239.344 1.118 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000648051389 386589859 /nfs/dbraw/zinc/58/98/59/386589859.db2.gz ZPMAGSPLDJFCAH-NSHDSACASA-N 1 2 239.344 1.118 20 0 BDADLO CCC[N@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000520171221 386591920 /nfs/dbraw/zinc/59/19/20/386591920.db2.gz WCANRQDNTGWBLR-UHFFFAOYSA-N 1 2 245.330 1.563 20 0 BDADLO CCC[N@@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000520171221 386591923 /nfs/dbraw/zinc/59/19/23/386591923.db2.gz WCANRQDNTGWBLR-UHFFFAOYSA-N 1 2 245.330 1.563 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC1(Cl)Cl ZINC000267872424 386592205 /nfs/dbraw/zinc/59/22/05/386592205.db2.gz KYGIWXCIQQAPLA-LURJTMIESA-N 1 2 248.113 1.528 20 0 BDADLO Cc1cc(NC[C@@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000336738831 386595748 /nfs/dbraw/zinc/59/57/48/386595748.db2.gz KPOIXTMKQARMQS-ONGXEEELSA-N 1 2 221.304 1.291 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000335457926 386535480 /nfs/dbraw/zinc/53/54/80/386535480.db2.gz GKUURWTZSWOHEI-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000335457926 386535485 /nfs/dbraw/zinc/53/54/85/386535485.db2.gz GKUURWTZSWOHEI-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)CC2(CCC2)O1 ZINC000335460707 386541321 /nfs/dbraw/zinc/54/13/21/386541321.db2.gz CQAVRSODEZSCIG-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)CC2(CCC2)O1 ZINC000335460707 386541325 /nfs/dbraw/zinc/54/13/25/386541325.db2.gz CQAVRSODEZSCIG-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)CC2(CCC2)O1 ZINC000335460707 386541333 /nfs/dbraw/zinc/54/13/33/386541333.db2.gz CQAVRSODEZSCIG-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000267430155 386543080 /nfs/dbraw/zinc/54/30/80/386543080.db2.gz WKCOYNYDUJZBKY-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000267430155 386543084 /nfs/dbraw/zinc/54/30/84/386543084.db2.gz WKCOYNYDUJZBKY-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)CC2(CCC2)O1 ZINC000335461120 386543125 /nfs/dbraw/zinc/54/31/25/386543125.db2.gz FKCRXOWTBRQSJB-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)CC2(CCC2)O1 ZINC000335461120 386543127 /nfs/dbraw/zinc/54/31/27/386543127.db2.gz FKCRXOWTBRQSJB-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335461015 386543573 /nfs/dbraw/zinc/54/35/73/386543573.db2.gz DDXWNVDQMCEIMN-UWVGGRQHSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335461015 386543574 /nfs/dbraw/zinc/54/35/74/386543574.db2.gz DDXWNVDQMCEIMN-UWVGGRQHSA-N 1 2 227.304 1.191 20 0 BDADLO COC(C)(C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000278547148 386547018 /nfs/dbraw/zinc/54/70/18/386547018.db2.gz NSLKZOCVCUWFBL-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)no1 ZINC000228145466 386547169 /nfs/dbraw/zinc/54/71/69/386547169.db2.gz FAOXQEBTVDTWEL-WCBMZHEXSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)no1 ZINC000228145466 386547175 /nfs/dbraw/zinc/54/71/75/386547175.db2.gz FAOXQEBTVDTWEL-WCBMZHEXSA-N 1 2 225.292 1.113 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000519768728 386551185 /nfs/dbraw/zinc/55/11/85/386551185.db2.gz MFMDAGZZSTWDHQ-LLVKDONJSA-N 1 2 220.272 1.044 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000519768728 386551190 /nfs/dbraw/zinc/55/11/90/386551190.db2.gz MFMDAGZZSTWDHQ-LLVKDONJSA-N 1 2 220.272 1.044 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H](O)C(C)C ZINC000291490762 386552978 /nfs/dbraw/zinc/55/29/78/386552978.db2.gz LNTAGMBSWSHEGV-JTQLQIEISA-N 1 2 208.261 1.345 20 0 BDADLO Cc1nc(CN2CCn3c[nH+]cc3C2)cs1 ZINC000291529953 386554667 /nfs/dbraw/zinc/55/46/67/386554667.db2.gz KATRXBDFNWNAOG-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO c1ncc(CN2CCn3c[nH+]cc3C2)s1 ZINC000291511003 386554970 /nfs/dbraw/zinc/55/49/70/386554970.db2.gz IICHKVTUANDLOH-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000519799455 386559995 /nfs/dbraw/zinc/55/99/95/386559995.db2.gz UMMAGWKMJMQLLZ-SSDOTTSWSA-N 1 2 235.209 1.198 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC(C1CC1)C1CC1 ZINC000278684877 386566432 /nfs/dbraw/zinc/56/64/32/386566432.db2.gz QMCMLXZTHBHWDK-UHFFFAOYSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC(C1CC1)C1CC1 ZINC000278684877 386566439 /nfs/dbraw/zinc/56/64/39/386566439.db2.gz QMCMLXZTHBHWDK-UHFFFAOYSA-N 1 2 233.315 1.565 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@@H]1C ZINC000644920191 386620159 /nfs/dbraw/zinc/62/01/59/386620159.db2.gz KUKVDWKLFHHDAP-WPRPVWTQSA-N 1 2 220.272 1.362 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C ZINC000644920190 386620850 /nfs/dbraw/zinc/62/08/50/386620850.db2.gz KUKVDWKLFHHDAP-PSASIEDQSA-N 1 2 220.272 1.362 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329353863 386655493 /nfs/dbraw/zinc/65/54/93/386655493.db2.gz GFKVRBAMZAOOJN-OUAUKWLOSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)[C@@H](C)CO1 ZINC000246055272 386624484 /nfs/dbraw/zinc/62/44/84/386624484.db2.gz FMXYEURHSPYQBS-VHSXEESVSA-N 1 2 233.315 1.968 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@@H]1F ZINC000335499677 386625004 /nfs/dbraw/zinc/62/50/04/386625004.db2.gz JSMFJZALAYRODT-ONGXEEELSA-N 1 2 208.236 1.499 20 0 BDADLO CO[C@@H](C[N@@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000644929156 386625964 /nfs/dbraw/zinc/62/59/64/386625964.db2.gz LBYWJYWKTFJFJI-LBPRGKRZSA-N 1 2 235.331 1.432 20 0 BDADLO CO[C@@H](C[N@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000644929156 386625969 /nfs/dbraw/zinc/62/59/69/386625969.db2.gz LBYWJYWKTFJFJI-LBPRGKRZSA-N 1 2 235.331 1.432 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)C1CC1 ZINC000179247320 386627215 /nfs/dbraw/zinc/62/72/15/386627215.db2.gz MTESQPONDXUDPH-UHFFFAOYSA-N 1 2 208.309 1.591 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)C1CC1 ZINC000179247320 386627222 /nfs/dbraw/zinc/62/72/22/386627222.db2.gz MTESQPONDXUDPH-UHFFFAOYSA-N 1 2 208.309 1.591 20 0 BDADLO Cc1ccoc1C[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000292158296 386627382 /nfs/dbraw/zinc/62/73/82/386627382.db2.gz KPEKXXOSFRHWRF-UHFFFAOYSA-N 1 2 249.266 1.879 20 0 BDADLO Cc1ccoc1C[N@H+](C)Cc1cc(=O)c(O)co1 ZINC000292158296 386627389 /nfs/dbraw/zinc/62/73/89/386627389.db2.gz KPEKXXOSFRHWRF-UHFFFAOYSA-N 1 2 249.266 1.879 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCOC1)c1nc(C(C)(C)C)no1 ZINC000179253833 386627770 /nfs/dbraw/zinc/62/77/70/386627770.db2.gz OZQFVFCTLQZRSI-DTWKUNHWSA-N 1 2 239.319 1.807 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC(=O)N(C2CC2)C1 ZINC000279095929 386630837 /nfs/dbraw/zinc/63/08/37/386630837.db2.gz IVGJCUVVJGJHMP-UHFFFAOYSA-N 1 2 248.330 1.228 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cccs1 ZINC000279096747 386631058 /nfs/dbraw/zinc/63/10/58/386631058.db2.gz ABQGRYLYDBTTNA-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO COC[C@H](Nc1cc[nH+]c(C)n1)[C@H]1CCCO1 ZINC000279114974 386633849 /nfs/dbraw/zinc/63/38/49/386633849.db2.gz PNWWVYGVNUQCSF-WDEREUQCSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@H](C(C)C)C2)no1 ZINC000328884290 386641739 /nfs/dbraw/zinc/64/17/39/386641739.db2.gz YKVBORQTCVDSGB-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@H](C(C)C)C2)no1 ZINC000328884290 386641746 /nfs/dbraw/zinc/64/17/46/386641746.db2.gz YKVBORQTCVDSGB-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C ZINC000279171079 386643572 /nfs/dbraw/zinc/64/35/72/386643572.db2.gz HCABARDXAYLTBG-SECBINFHSA-N 1 2 221.304 1.662 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)on1 ZINC000268317939 386643958 /nfs/dbraw/zinc/64/39/58/386643958.db2.gz ZRYPAGZCIFCGQA-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)on1 ZINC000268317939 386643962 /nfs/dbraw/zinc/64/39/62/386643962.db2.gz ZRYPAGZCIFCGQA-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ccccc1C[NH+]1CC(O)(C(F)F)C1 ZINC000335510512 386644409 /nfs/dbraw/zinc/64/44/09/386644409.db2.gz FWOWLDRNUMOVMX-UHFFFAOYSA-N 1 2 227.254 1.807 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000279192705 386645418 /nfs/dbraw/zinc/64/54/18/386645418.db2.gz LQNYDPSDGQSZDZ-QWRGUYRKSA-N 1 2 233.315 1.601 20 0 BDADLO NCC(F)(F)C[NH2+]C1Cc2ccccc2C1 ZINC000414926444 386653716 /nfs/dbraw/zinc/65/37/16/386653716.db2.gz JKFKONARXPVYDY-UHFFFAOYSA-N 1 2 226.270 1.337 20 0 BDADLO Cc1cc(NC(=O)COc2ccsc2)cc[nH+]1 ZINC000337085921 386604603 /nfs/dbraw/zinc/60/46/03/386604603.db2.gz HTCZDRNRSYLNST-UHFFFAOYSA-N 1 2 248.307 1.891 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000337086740 386606024 /nfs/dbraw/zinc/60/60/24/386606024.db2.gz IGDASKQCBKEVMD-PTOFAABTSA-N 1 2 234.299 1.564 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)n1 ZINC000339771638 386607547 /nfs/dbraw/zinc/60/75/47/386607547.db2.gz KFKOOSKKGNOUJR-AWEZNQCLSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)n1 ZINC000339771638 386607551 /nfs/dbraw/zinc/60/75/51/386607551.db2.gz KFKOOSKKGNOUJR-AWEZNQCLSA-N 1 2 249.358 1.811 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335490975 386608876 /nfs/dbraw/zinc/60/88/76/386608876.db2.gz HTSOKVKDDRTFPX-MNOVXSKESA-N 1 2 245.326 1.362 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335491006 386610093 /nfs/dbraw/zinc/61/00/93/386610093.db2.gz IRBWEAZMXCEILJ-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335492018 386611657 /nfs/dbraw/zinc/61/16/57/386611657.db2.gz RLZUYISTNWGRNR-WCQYABFASA-N 1 2 247.342 1.702 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493176 386612495 /nfs/dbraw/zinc/61/24/95/386612495.db2.gz XKUDQJLPBRYZCT-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335494485 386614003 /nfs/dbraw/zinc/61/40/03/386614003.db2.gz JORHYOSPPOVFNH-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335494485 386614007 /nfs/dbraw/zinc/61/40/07/386614007.db2.gz JORHYOSPPOVFNH-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335494486 386614477 /nfs/dbraw/zinc/61/44/77/386614477.db2.gz JORHYOSPPOVFNH-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335494486 386614479 /nfs/dbraw/zinc/61/44/79/386614479.db2.gz JORHYOSPPOVFNH-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCNC(=O)CC2)o1 ZINC000329142809 386616468 /nfs/dbraw/zinc/61/64/68/386616468.db2.gz LNYRVCPHQKDWFE-SECBINFHSA-N 1 2 223.276 1.706 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCNC(=O)CC2)o1 ZINC000329142809 386616476 /nfs/dbraw/zinc/61/64/76/386616476.db2.gz LNYRVCPHQKDWFE-SECBINFHSA-N 1 2 223.276 1.706 20 0 BDADLO CC(C)(C)c1nc(Cn2cc[nH+]c2)n[nH]1 ZINC000292425251 386667166 /nfs/dbraw/zinc/66/71/66/386667166.db2.gz LBVUPPYOXYXDQU-UHFFFAOYSA-N 1 2 205.265 1.347 20 0 BDADLO CC(C)(C)c1nnc(Cn2cc[nH+]c2)[nH]1 ZINC000292425251 386667173 /nfs/dbraw/zinc/66/71/73/386667173.db2.gz LBVUPPYOXYXDQU-UHFFFAOYSA-N 1 2 205.265 1.347 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c[nH+]1 ZINC000268592028 386668056 /nfs/dbraw/zinc/66/80/56/386668056.db2.gz OTAPJOCFBKARAT-HOSYDEDBSA-N 1 2 249.314 1.406 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)Cc1[nH]c[nH+]c1C ZINC000292415968 386668034 /nfs/dbraw/zinc/66/80/34/386668034.db2.gz ZXDAIZIADAAAOK-VIFPVBQESA-N 1 2 239.319 1.144 20 0 BDADLO Cc1nocc1C[N@@H+]1CCc2ncsc2C1 ZINC000353097259 386668916 /nfs/dbraw/zinc/66/89/16/386668916.db2.gz OMJBIMCDFFSYDE-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1nocc1C[N@H+]1CCc2ncsc2C1 ZINC000353097259 386668921 /nfs/dbraw/zinc/66/89/21/386668921.db2.gz OMJBIMCDFFSYDE-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cnn(C)c1 ZINC000124697469 386682409 /nfs/dbraw/zinc/68/24/09/386682409.db2.gz JVAZAECWOYXYDM-BDAKNGLRSA-N 1 2 219.292 1.555 20 0 BDADLO CO[C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000520426516 386672512 /nfs/dbraw/zinc/67/25/12/386672512.db2.gz KWBPPRJHLLPLCF-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO CO[C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000520426516 386672514 /nfs/dbraw/zinc/67/25/14/386672514.db2.gz KWBPPRJHLLPLCF-VHSXEESVSA-N 1 2 239.319 1.082 20 0 BDADLO CCC[C@@H](CCO)CNc1nc(C)[nH+]cc1C ZINC000520427952 386673295 /nfs/dbraw/zinc/67/32/95/386673295.db2.gz GECZCMGJWPSWGS-LBPRGKRZSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1nnc(COc2cc[nH+]cc2)n1C ZINC000292486372 386676763 /nfs/dbraw/zinc/67/67/63/386676763.db2.gz RCNNLEHKCMXSNM-UHFFFAOYSA-N 1 2 204.233 1.098 20 0 BDADLO CCCC[C@@H](COC)[NH2+][C@H](CC)C(=O)OC ZINC000192850520 386678543 /nfs/dbraw/zinc/67/85/43/386678543.db2.gz LADWPURSZZOBCI-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO COCc1noc(C[N@@H+]2CCC23CCC3)n1 ZINC000329372375 386657533 /nfs/dbraw/zinc/65/75/33/386657533.db2.gz MMCTXCCRQJBCTI-UHFFFAOYSA-N 1 2 223.276 1.344 20 0 BDADLO COCc1noc(C[N@H+]2CCC23CCC3)n1 ZINC000329372375 386657539 /nfs/dbraw/zinc/65/75/39/386657539.db2.gz MMCTXCCRQJBCTI-UHFFFAOYSA-N 1 2 223.276 1.344 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414474668 386658077 /nfs/dbraw/zinc/65/80/77/386658077.db2.gz YOMKIXMJQRZSRK-ZDUSSCGKSA-N 1 2 238.306 1.814 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414474668 386658084 /nfs/dbraw/zinc/65/80/84/386658084.db2.gz YOMKIXMJQRZSRK-ZDUSSCGKSA-N 1 2 238.306 1.814 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@@H](CC1CC1)C(=O)OC ZINC000414488226 386711552 /nfs/dbraw/zinc/71/15/52/386711552.db2.gz LNUJIWXKLAQRRP-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000337273641 386689040 /nfs/dbraw/zinc/68/90/40/386689040.db2.gz CUPYCVITLTWXQS-VHSXEESVSA-N 1 2 245.273 1.968 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)C(C)(C)C1 ZINC000279548876 386698188 /nfs/dbraw/zinc/69/81/88/386698188.db2.gz MKQGEULNZPFDPJ-NSHDSACASA-N 1 2 249.314 1.625 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)C(C)(F)F ZINC000292625863 386700014 /nfs/dbraw/zinc/70/00/14/386700014.db2.gz AOYLBTYFRGNWLR-MRVPVSSYSA-N 1 2 245.273 1.670 20 0 BDADLO Cc1nc(C(=O)N(C)CCCn2cc[nH+]c2)c[nH]1 ZINC000268984874 386730937 /nfs/dbraw/zinc/73/09/37/386730937.db2.gz LHNLAUJLZADUPX-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO Cc1ncc(C(=O)N(C)CCCn2cc[nH+]c2)[nH]1 ZINC000268984874 386730940 /nfs/dbraw/zinc/73/09/40/386730940.db2.gz LHNLAUJLZADUPX-UHFFFAOYSA-N 1 2 247.302 1.077 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCCCCC1)[C@@H](C)O ZINC000191958883 386731904 /nfs/dbraw/zinc/73/19/04/386731904.db2.gz LKJMAWGAPQDVEV-KOLCDFICSA-N 1 2 229.320 1.221 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccno1 ZINC000269013007 386737736 /nfs/dbraw/zinc/73/77/36/386737736.db2.gz NROFXDIPLDHVHE-ZJUUUORDSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccno1 ZINC000269013007 386737739 /nfs/dbraw/zinc/73/77/39/386737739.db2.gz NROFXDIPLDHVHE-ZJUUUORDSA-N 1 2 210.277 1.674 20 0 BDADLO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cocn2)C1 ZINC000414491491 386720599 /nfs/dbraw/zinc/72/05/99/386720599.db2.gz XGZNTVZRDDULIB-KGLIPLIRSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cocn2)C1 ZINC000414491491 386720605 /nfs/dbraw/zinc/72/06/05/386720605.db2.gz XGZNTVZRDDULIB-KGLIPLIRSA-N 1 2 244.294 1.983 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccn1 ZINC000339866835 386724093 /nfs/dbraw/zinc/72/40/93/386724093.db2.gz NEJHSLARUQLRCK-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccn1 ZINC000339866835 386724101 /nfs/dbraw/zinc/72/41/01/386724101.db2.gz NEJHSLARUQLRCK-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000279727692 386728229 /nfs/dbraw/zinc/72/82/29/386728229.db2.gz CHBGYUMCPXHARZ-PSASIEDQSA-N 1 2 249.314 1.340 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000268967844 386728180 /nfs/dbraw/zinc/72/81/80/386728180.db2.gz LMYBPVVQEFIGNO-NEPJUHHUSA-N 1 2 219.284 1.647 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000268967844 386728186 /nfs/dbraw/zinc/72/81/86/386728186.db2.gz LMYBPVVQEFIGNO-NEPJUHHUSA-N 1 2 219.284 1.647 20 0 BDADLO CCN(c1cc(C)[nH+]c(C2CC2)n1)[C@@H](C)CO ZINC000292901065 386744892 /nfs/dbraw/zinc/74/48/92/386744892.db2.gz WUIILXCZXMHTEO-JTQLQIEISA-N 1 2 235.331 1.870 20 0 BDADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000292912681 386749508 /nfs/dbraw/zinc/74/95/08/386749508.db2.gz HODCZWLSOMYEQJ-TVQRCGJNSA-N 1 2 244.298 1.427 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]c1)c1nc(C(C)(C)C)no1 ZINC000608072556 386754304 /nfs/dbraw/zinc/75/43/04/386754304.db2.gz UTNODCNJKPEEIR-MRVPVSSYSA-N 1 2 249.318 1.941 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC=C(c3ccco3)C2)[nH]1 ZINC000292951317 386754983 /nfs/dbraw/zinc/75/49/83/386754983.db2.gz VHRFAFXXQXHSQI-UHFFFAOYSA-N 1 2 244.298 1.995 20 0 BDADLO Cc1nnc(C[N@H+]2CCC=C(c3ccco3)C2)[nH]1 ZINC000292951317 386754989 /nfs/dbraw/zinc/75/49/89/386754989.db2.gz VHRFAFXXQXHSQI-UHFFFAOYSA-N 1 2 244.298 1.995 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3cccc(C)c3C2)[nH]1 ZINC000292975785 386758478 /nfs/dbraw/zinc/75/84/78/386758478.db2.gz XAHZIEDIAMAYEF-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3cccc(C)c3C2)[nH]1 ZINC000292975785 386758488 /nfs/dbraw/zinc/75/84/88/386758488.db2.gz XAHZIEDIAMAYEF-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000279942654 386758789 /nfs/dbraw/zinc/75/87/89/386758789.db2.gz GIJRUGZHFKZPEW-LLVKDONJSA-N 1 2 220.272 1.754 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CC[C@@H](O)C1 ZINC000279976175 386762202 /nfs/dbraw/zinc/76/22/02/386762202.db2.gz JKKMKUZRAUVFSE-ZJUUUORDSA-N 1 2 241.312 1.029 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CC[C@@H](O)C1 ZINC000279976175 386762211 /nfs/dbraw/zinc/76/22/11/386762211.db2.gz JKKMKUZRAUVFSE-ZJUUUORDSA-N 1 2 241.312 1.029 20 0 BDADLO Cc1cnn(CC[NH2+]C(C)(C)c2noc(C)n2)c1 ZINC000330548016 386762796 /nfs/dbraw/zinc/76/27/96/386762796.db2.gz VQHLMHHCFIXUCG-UHFFFAOYSA-N 1 2 249.318 1.408 20 0 BDADLO CSCCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330550552 386765092 /nfs/dbraw/zinc/76/50/92/386765092.db2.gz FFMCLZOUNNBIIJ-BDAKNGLRSA-N 1 2 232.349 1.364 20 0 BDADLO CSCCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330550552 386765098 /nfs/dbraw/zinc/76/50/98/386765098.db2.gz FFMCLZOUNNBIIJ-BDAKNGLRSA-N 1 2 232.349 1.364 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)on1 ZINC000348927466 386767937 /nfs/dbraw/zinc/76/79/37/386767937.db2.gz MDBDKYIKNFRYOA-SNVBAGLBSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)on1 ZINC000348927466 386767943 /nfs/dbraw/zinc/76/79/43/386767943.db2.gz MDBDKYIKNFRYOA-SNVBAGLBSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(=O)C1 ZINC000335537546 386741312 /nfs/dbraw/zinc/74/13/12/386741312.db2.gz BUMACRLNUFQYLB-SECBINFHSA-N 1 2 218.256 1.120 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn2cccc(C)c2n1 ZINC000645157334 386795639 /nfs/dbraw/zinc/79/56/39/386795639.db2.gz KQKATMBXPYDYBC-ZDUSSCGKSA-N 1 2 245.326 1.863 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn2cccc(C)c2n1 ZINC000645157334 386795647 /nfs/dbraw/zinc/79/56/47/386795647.db2.gz KQKATMBXPYDYBC-ZDUSSCGKSA-N 1 2 245.326 1.863 20 0 BDADLO CCc1nnc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)[nH]1 ZINC000191173225 386770676 /nfs/dbraw/zinc/77/06/76/386770676.db2.gz XZWWIFWWYUPQOS-IUCAKERBSA-N 1 2 238.335 1.101 20 0 BDADLO CC[C@H](O)[C@H](CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000450853550 386772158 /nfs/dbraw/zinc/77/21/58/386772158.db2.gz BJCXZSYMPHICHC-QWRGUYRKSA-N 1 2 237.347 1.983 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCSC(C)C ZINC000290128421 386783302 /nfs/dbraw/zinc/78/33/02/386783302.db2.gz MQRZSFZJMZIXLU-UHFFFAOYSA-N 1 2 213.350 1.949 20 0 BDADLO COC[C@@H]1CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000293176243 386785958 /nfs/dbraw/zinc/78/59/58/386785958.db2.gz SXYQSWBPMUKUSW-NSHDSACASA-N 1 2 233.315 1.888 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000639276992 386787160 /nfs/dbraw/zinc/78/71/60/386787160.db2.gz IPBBEDBFBKUXGM-WCQYABFASA-N 1 2 246.289 1.542 20 0 BDADLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccno1)CCO2 ZINC000280488630 386817353 /nfs/dbraw/zinc/81/73/53/386817353.db2.gz QCAIJHLQENCUOJ-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccno1)CCO2 ZINC000280488630 386817357 /nfs/dbraw/zinc/81/73/57/386817357.db2.gz QCAIJHLQENCUOJ-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c[nH]1 ZINC000280533718 386821671 /nfs/dbraw/zinc/82/16/71/386821671.db2.gz SEGZSALMPZHKAF-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO c1nc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c[nH]1 ZINC000280533718 386821676 /nfs/dbraw/zinc/82/16/76/386821676.db2.gz SEGZSALMPZHKAF-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO c1ncc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)[nH]1 ZINC000280533718 386821682 /nfs/dbraw/zinc/82/16/82/386821682.db2.gz SEGZSALMPZHKAF-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO c1ncc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)[nH]1 ZINC000280533718 386821688 /nfs/dbraw/zinc/82/16/88/386821688.db2.gz SEGZSALMPZHKAF-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000357652539 386822831 /nfs/dbraw/zinc/82/28/31/386822831.db2.gz INKGRDDGBSCHCN-BDAKNGLRSA-N 1 2 220.272 1.440 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000357652541 386823068 /nfs/dbraw/zinc/82/30/68/386823068.db2.gz INKGRDDGBSCHCN-DTWKUNHWSA-N 1 2 220.272 1.440 20 0 BDADLO Cc1cc(N2CCC[C@]3(CCOC3)C2)nc[nH+]1 ZINC000450882718 386799124 /nfs/dbraw/zinc/79/91/24/386799124.db2.gz OIKKYBLTNGDJJN-ZDUSSCGKSA-N 1 2 233.315 1.792 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000192982642 386806611 /nfs/dbraw/zinc/80/66/11/386806611.db2.gz FGVRRIOENKMTMQ-CYBMUJFWSA-N 1 2 247.346 1.532 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000192982642 386806618 /nfs/dbraw/zinc/80/66/18/386806618.db2.gz FGVRRIOENKMTMQ-CYBMUJFWSA-N 1 2 247.346 1.532 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCn2cncc2C1 ZINC000647939152 386808286 /nfs/dbraw/zinc/80/82/86/386808286.db2.gz CSADASDDPXZYMA-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCn2cncc2C1 ZINC000647939152 386808290 /nfs/dbraw/zinc/80/82/90/386808290.db2.gz CSADASDDPXZYMA-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO Cc1cc(N2CC[C@H](O)CC(C)(C)C2)nc[nH+]1 ZINC000395319465 386813128 /nfs/dbraw/zinc/81/31/28/386813128.db2.gz LDJXYOIQWYNRCH-NSHDSACASA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nocc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000293415713 386815649 /nfs/dbraw/zinc/81/56/49/386815649.db2.gz ZLPAXUUDKDLAID-LLVKDONJSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cnn(C)c2)n1C ZINC000341037140 386826518 /nfs/dbraw/zinc/82/65/18/386826518.db2.gz ZRCZCIKODDXOLI-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)c2cnn(C)c2)n1C ZINC000341037140 386826524 /nfs/dbraw/zinc/82/65/24/386826524.db2.gz ZRCZCIKODDXOLI-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCOCC2)cc[nH+]1 ZINC000334781501 386837262 /nfs/dbraw/zinc/83/72/62/386837262.db2.gz KKUUIFPSKZTHSA-NSHDSACASA-N 1 2 234.299 1.567 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cccnc1Cl ZINC000293590663 386842252 /nfs/dbraw/zinc/84/22/52/386842252.db2.gz OIAVVMXVHRCFRT-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cccnc1Cl ZINC000293590663 386842260 /nfs/dbraw/zinc/84/22/60/386842260.db2.gz OIAVVMXVHRCFRT-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO CN(C)c1nccc(C[N@H+](C)Cc2ccc[nH]2)n1 ZINC000341139143 386845860 /nfs/dbraw/zinc/84/58/60/386845860.db2.gz BZSLFSVTXGXKRP-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CN(C)c1nccc(C[N@@H+](C)Cc2ccc[nH]2)n1 ZINC000341139143 386845866 /nfs/dbraw/zinc/84/58/66/386845866.db2.gz BZSLFSVTXGXKRP-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc(C)cs1 ZINC000293621389 386849080 /nfs/dbraw/zinc/84/90/80/386849080.db2.gz QIBHOSKJJXCFKB-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc(C)cs1 ZINC000293621389 386849084 /nfs/dbraw/zinc/84/90/84/386849084.db2.gz QIBHOSKJJXCFKB-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO C[N@H+](CCF)Cc1cccc2c1OCCO2 ZINC000293612098 386849722 /nfs/dbraw/zinc/84/97/22/386849722.db2.gz KCJILEJJLXLHSR-UHFFFAOYSA-N 1 2 225.263 1.859 20 0 BDADLO C[N@@H+](CCF)Cc1cccc2c1OCCO2 ZINC000293612098 386849728 /nfs/dbraw/zinc/84/97/28/386849728.db2.gz KCJILEJJLXLHSR-UHFFFAOYSA-N 1 2 225.263 1.859 20 0 BDADLO CCCCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000352880831 386850176 /nfs/dbraw/zinc/85/01/76/386850176.db2.gz IKGPIGZKTGURMX-LLVKDONJSA-N 1 2 248.392 1.142 20 0 BDADLO CCCCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000352880831 386850180 /nfs/dbraw/zinc/85/01/80/386850180.db2.gz IKGPIGZKTGURMX-LLVKDONJSA-N 1 2 248.392 1.142 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)n1C ZINC000330675423 386852923 /nfs/dbraw/zinc/85/29/23/386852923.db2.gz HGTSLDKRHCASJI-VIFPVBQESA-N 1 2 239.323 1.163 20 0 BDADLO COC[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301544174 386852979 /nfs/dbraw/zinc/85/29/79/386852979.db2.gz OTFYIHNJYNQWDT-LLVKDONJSA-N 1 2 233.315 1.969 20 0 BDADLO Cc1occc1CN1CCn2c[nH+]cc2C1 ZINC000334845178 386891763 /nfs/dbraw/zinc/89/17/63/386891763.db2.gz IVSGAZPGHOWUHQ-UHFFFAOYSA-N 1 2 217.272 1.800 20 0 BDADLO CCC1(CC)[C@H]([NH2+]CC(=O)OC)C[C@@H]1OC ZINC000191379542 386892368 /nfs/dbraw/zinc/89/23/68/386892368.db2.gz LLHGFMXGBGBJNG-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO Fc1ccc(NCCNc2cccc[nH+]2)nc1 ZINC000341358867 386893937 /nfs/dbraw/zinc/89/39/37/386893937.db2.gz GTMBQEHOTXXRBX-UHFFFAOYSA-N 1 2 232.262 1.562 20 0 BDADLO COC1C[NH+](Cc2ccc3c(n2)CCC3)C1 ZINC000334792557 386857697 /nfs/dbraw/zinc/85/76/97/386857697.db2.gz GOPJMMOSNOMDBN-UHFFFAOYSA-N 1 2 218.300 1.401 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334794021 386860945 /nfs/dbraw/zinc/86/09/45/386860945.db2.gz OWBSKRPNLCYZCK-OLZOCXBDSA-N 1 2 247.342 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334794021 386860950 /nfs/dbraw/zinc/86/09/50/386860950.db2.gz OWBSKRPNLCYZCK-OLZOCXBDSA-N 1 2 247.342 1.719 20 0 BDADLO Cc1c[nH+]c(CNc2cnccc2CO)n1C ZINC000341296788 386866164 /nfs/dbraw/zinc/86/61/64/386866164.db2.gz HJOKKWSUVCLTKT-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO C[N@H+](CCF)Cc1cc(O)cc(F)c1 ZINC000293737541 386868776 /nfs/dbraw/zinc/86/87/76/386868776.db2.gz VMAUQSHKMXZLTN-UHFFFAOYSA-N 1 2 201.216 1.933 20 0 BDADLO C[N@@H+](CCF)Cc1cc(O)cc(F)c1 ZINC000293737541 386868779 /nfs/dbraw/zinc/86/87/79/386868779.db2.gz VMAUQSHKMXZLTN-UHFFFAOYSA-N 1 2 201.216 1.933 20 0 BDADLO Nc1c(NCC2CC2)[nH+]cnc1-n1cccn1 ZINC000301750672 386874488 /nfs/dbraw/zinc/87/44/88/386874488.db2.gz AQHFXNGORCYNCH-UHFFFAOYSA-N 1 2 230.275 1.066 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+]C12CCC(OC)CC2 ZINC000334835057 386877307 /nfs/dbraw/zinc/87/73/07/386877307.db2.gz BYWCXQKUJKGTHV-UHFFFAOYSA-N 1 2 240.347 1.502 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2noc(C)n2)CC1 ZINC000331678066 386881324 /nfs/dbraw/zinc/88/13/24/386881324.db2.gz SZSZMAMIUCKEHO-LLVKDONJSA-N 1 2 239.319 1.627 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2noc(C)n2)CC1 ZINC000331678066 386881326 /nfs/dbraw/zinc/88/13/26/386881326.db2.gz SZSZMAMIUCKEHO-LLVKDONJSA-N 1 2 239.319 1.627 20 0 BDADLO Cc1cc(C)n([C@@H](C)C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000330767104 386882465 /nfs/dbraw/zinc/88/24/65/386882465.db2.gz LCAXJXPVLPRQEM-JTQLQIEISA-N 1 2 247.302 1.100 20 0 BDADLO CC(C)(C)CCC(=O)Nc1cc[nH+]cc1O ZINC000330779235 386884506 /nfs/dbraw/zinc/88/45/06/386884506.db2.gz CENVGTASBDKUKL-UHFFFAOYSA-N 1 2 222.288 1.974 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)o1 ZINC000334861041 386913551 /nfs/dbraw/zinc/91/35/51/386913551.db2.gz APFGWGKMZUTMJD-NSHDSACASA-N 1 2 213.252 1.758 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CF)C2)o1 ZINC000334861041 386913556 /nfs/dbraw/zinc/91/35/56/386913556.db2.gz APFGWGKMZUTMJD-NSHDSACASA-N 1 2 213.252 1.758 20 0 BDADLO CCN(CC)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367920964 386919247 /nfs/dbraw/zinc/91/92/47/386919247.db2.gz MQJAHSKIHFHTCF-STQMWFEESA-N 1 2 241.379 1.038 20 0 BDADLO CC(C)(O)[C@@H]1CCCN1c1cccc[nH+]1 ZINC000302110896 386904237 /nfs/dbraw/zinc/90/42/37/386904237.db2.gz AFMCHOGGKXLUOD-JTQLQIEISA-N 1 2 206.289 1.821 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000335764176 386904420 /nfs/dbraw/zinc/90/44/20/386904420.db2.gz MZXDFFRDJMRPNL-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000335764176 386904423 /nfs/dbraw/zinc/90/44/23/386904423.db2.gz MZXDFFRDJMRPNL-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO FC[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000334860249 386913254 /nfs/dbraw/zinc/91/32/54/386913254.db2.gz UEUGECKEPVAYDY-LBPRGKRZSA-N 1 2 249.289 1.505 20 0 BDADLO CN(Cc1ccc(N)[nH+]c1)c1ncncc1Cl ZINC000302786417 386936891 /nfs/dbraw/zinc/93/68/91/386936891.db2.gz WBZLUUAYIUXQBV-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO CCC1(C(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000332032750 386946218 /nfs/dbraw/zinc/94/62/18/386946218.db2.gz VNHWFLVPCIVKKE-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccon1)C1CC1 ZINC000341704173 386952335 /nfs/dbraw/zinc/95/23/35/386952335.db2.gz GCZMWADGRKBMTQ-JTQLQIEISA-N 1 2 246.270 1.289 20 0 BDADLO CCCN1CC(=O)N[C@H]1c1cccc2[nH+]ccn21 ZINC000334824239 386954743 /nfs/dbraw/zinc/95/47/43/386954743.db2.gz FOSRADCQKZXTDV-CYBMUJFWSA-N 1 2 244.298 1.175 20 0 BDADLO CO[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341716445 386955434 /nfs/dbraw/zinc/95/54/34/386955434.db2.gz HBEZVMSCZRQIPQ-WPRPVWTQSA-N 1 2 237.303 1.022 20 0 BDADLO CC(=O)CCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341714822 386955706 /nfs/dbraw/zinc/95/57/06/386955706.db2.gz FKFVJCGXNMJACD-GFCCVEGCSA-N 1 2 249.314 1.357 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000334886144 386958564 /nfs/dbraw/zinc/95/85/64/386958564.db2.gz ZFBNAHIGMFARIE-RKDXNWHRSA-N 1 2 220.272 1.584 20 0 BDADLO COC[C@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000341754608 386960249 /nfs/dbraw/zinc/96/02/49/386960249.db2.gz ADUSAPJKHGAKBU-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO COC[C@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000341754608 386960256 /nfs/dbraw/zinc/96/02/56/386960256.db2.gz ADUSAPJKHGAKBU-SNVBAGLBSA-N 1 2 237.290 1.361 20 0 BDADLO Cc1oncc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000334890306 386964722 /nfs/dbraw/zinc/96/47/22/386964722.db2.gz GIYZSQZHXPDGON-LLVKDONJSA-N 1 2 228.267 1.279 20 0 BDADLO Cc1oncc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000334890306 386964726 /nfs/dbraw/zinc/96/47/26/386964726.db2.gz GIYZSQZHXPDGON-LLVKDONJSA-N 1 2 228.267 1.279 20 0 BDADLO CN(CC1CCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368374229 386967430 /nfs/dbraw/zinc/96/74/30/386967430.db2.gz KBNIXXNYCZTBDF-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CCOC2)s1 ZINC000358515340 386970314 /nfs/dbraw/zinc/97/03/14/386970314.db2.gz YNVWOYLDFRUSLP-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CCOC2)s1 ZINC000358515340 386970318 /nfs/dbraw/zinc/97/03/18/386970318.db2.gz YNVWOYLDFRUSLP-QMMMGPOBSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCOC2)s1 ZINC000358515339 386971999 /nfs/dbraw/zinc/97/19/99/386971999.db2.gz YNVWOYLDFRUSLP-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCOC2)s1 ZINC000358515339 386972002 /nfs/dbraw/zinc/97/20/02/386972002.db2.gz YNVWOYLDFRUSLP-MRVPVSSYSA-N 1 2 213.306 1.067 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000304323124 386975770 /nfs/dbraw/zinc/97/57/70/386975770.db2.gz RGGBQPQBWCNTHU-VHSXEESVSA-N 1 2 241.335 1.957 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000304323124 386975776 /nfs/dbraw/zinc/97/57/76/386975776.db2.gz RGGBQPQBWCNTHU-VHSXEESVSA-N 1 2 241.335 1.957 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332416957 386976276 /nfs/dbraw/zinc/97/62/76/386976276.db2.gz QTXOGZNRWBKKME-UWVGGRQHSA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@H](O)C[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332416957 386976279 /nfs/dbraw/zinc/97/62/79/386976279.db2.gz QTXOGZNRWBKKME-UWVGGRQHSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000332421107 386978870 /nfs/dbraw/zinc/97/88/70/386978870.db2.gz FQFYOKLPRPWBEC-OCAPTIKFSA-N 1 2 225.317 1.061 20 0 BDADLO Cc1nc(C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)no1 ZINC000331162623 386979707 /nfs/dbraw/zinc/97/97/07/386979707.db2.gz FTCMHIFAPMHROE-GXSJLCMTSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)no1 ZINC000331162623 386979710 /nfs/dbraw/zinc/97/97/10/386979710.db2.gz FTCMHIFAPMHROE-GXSJLCMTSA-N 1 2 239.319 1.361 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCC(C)(C)C ZINC000341873089 386981141 /nfs/dbraw/zinc/98/11/41/386981141.db2.gz RPBDPUYGVLIKSD-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCC(C)(C)C ZINC000341873089 386981145 /nfs/dbraw/zinc/98/11/45/386981145.db2.gz RPBDPUYGVLIKSD-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO Cc1sccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000352976595 386982408 /nfs/dbraw/zinc/98/24/08/386982408.db2.gz KYVNEKIVRKKWGK-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1sccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000352976595 386982413 /nfs/dbraw/zinc/98/24/13/386982413.db2.gz KYVNEKIVRKKWGK-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000331184303 386985536 /nfs/dbraw/zinc/98/55/36/386985536.db2.gz TXBSCMKAXDCBQF-GHMZBOCLSA-N 1 2 249.314 1.108 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1C ZINC000331184303 386985541 /nfs/dbraw/zinc/98/55/41/386985541.db2.gz TXBSCMKAXDCBQF-GHMZBOCLSA-N 1 2 249.314 1.108 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000528472685 386987872 /nfs/dbraw/zinc/98/78/72/386987872.db2.gz FQOAQHXKOQMIDN-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cnccc1C[N@H+]1CCn2cnnc2[C@H]1C ZINC000528472685 386987878 /nfs/dbraw/zinc/98/78/78/386987878.db2.gz FQOAQHXKOQMIDN-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO FC(F)OC[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000353016604 386990768 /nfs/dbraw/zinc/99/07/68/386990768.db2.gz ASRZBJKHVDDKNL-MRVPVSSYSA-N 1 2 231.246 1.471 20 0 BDADLO FC(F)OC[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000353016604 386990771 /nfs/dbraw/zinc/99/07/71/386990771.db2.gz ASRZBJKHVDDKNL-MRVPVSSYSA-N 1 2 231.246 1.471 20 0 BDADLO COC[C@@H]1CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332640594 386996004 /nfs/dbraw/zinc/99/60/04/386996004.db2.gz KDWYEAKSORIFEM-WCBMZHEXSA-N 1 2 225.292 1.407 20 0 BDADLO COC[C@@H]1CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332640594 386996013 /nfs/dbraw/zinc/99/60/13/386996013.db2.gz KDWYEAKSORIFEM-WCBMZHEXSA-N 1 2 225.292 1.407 20 0 BDADLO CC(F)(F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368677467 387001932 /nfs/dbraw/zinc/00/19/32/387001932.db2.gz ZEIWSFUDYYADDK-LURJTMIESA-N 1 2 229.230 1.038 20 0 BDADLO CC(F)(F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368677467 387001936 /nfs/dbraw/zinc/00/19/36/387001936.db2.gz ZEIWSFUDYYADDK-LURJTMIESA-N 1 2 229.230 1.038 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000331314543 387001948 /nfs/dbraw/zinc/00/19/48/387001948.db2.gz IPXNNLXKQLRGJQ-SECBINFHSA-N 1 2 238.287 1.693 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000331314543 387001952 /nfs/dbraw/zinc/00/19/52/387001952.db2.gz IPXNNLXKQLRGJQ-SECBINFHSA-N 1 2 238.287 1.693 20 0 BDADLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCCC1 ZINC000334932348 387008854 /nfs/dbraw/zinc/00/88/54/387008854.db2.gz QASQIHWHRJHCEB-VIFPVBQESA-N 1 2 247.289 1.037 20 0 BDADLO COC[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000332733100 387005674 /nfs/dbraw/zinc/00/56/74/387005674.db2.gz VABYMMOXGVVOEH-QMMMGPOBSA-N 1 2 236.275 1.144 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358407095 386949787 /nfs/dbraw/zinc/94/97/87/386949787.db2.gz FAKRPXPPKADLJU-VHSXEESVSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358407095 386949797 /nfs/dbraw/zinc/94/97/97/386949797.db2.gz FAKRPXPPKADLJU-VHSXEESVSA-N 1 2 235.331 1.819 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccon1)C1CC1 ZINC000341704174 386951952 /nfs/dbraw/zinc/95/19/52/386951952.db2.gz GCZMWADGRKBMTQ-SNVBAGLBSA-N 1 2 246.270 1.289 20 0 BDADLO Cn1nnnc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000341707213 386952000 /nfs/dbraw/zinc/95/20/00/386952000.db2.gz UYHDNBGAQSTVBG-UHFFFAOYSA-N 1 2 247.277 1.128 20 0 BDADLO CS[C@H](C)CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000358411615 386952006 /nfs/dbraw/zinc/95/20/06/386952006.db2.gz WXFJRXDIBDVXST-SECBINFHSA-N 1 2 241.360 1.900 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC(C1CC1)C1CC1 ZINC000012819989 387030135 /nfs/dbraw/zinc/03/01/35/387030135.db2.gz AXKSEFVKCIQSCH-UHFFFAOYSA-N 1 2 243.314 1.964 20 0 BDADLO CSC[C@@H](CCO)Nc1nc(C)[nH+]cc1C ZINC000519181531 387030848 /nfs/dbraw/zinc/03/08/48/387030848.db2.gz FSBSORHNUCQQNP-SNVBAGLBSA-N 1 2 241.360 1.619 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000126466006 387036480 /nfs/dbraw/zinc/03/64/80/387036480.db2.gz JJLCFZHWDQDWTR-VIFPVBQESA-N 1 2 249.314 1.599 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)nn1C ZINC000334959617 387039545 /nfs/dbraw/zinc/03/95/45/387039545.db2.gz BMQOLSIWATXNPR-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(C)nn1C ZINC000334959617 387039548 /nfs/dbraw/zinc/03/95/48/387039548.db2.gz BMQOLSIWATXNPR-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000369388407 387042248 /nfs/dbraw/zinc/04/22/48/387042248.db2.gz GOGNVIUFBJXRGQ-ZCFIWIBFSA-N 1 2 249.236 1.167 20 0 BDADLO C[C@@H](O)C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000369388407 387042251 /nfs/dbraw/zinc/04/22/51/387042251.db2.gz GOGNVIUFBJXRGQ-ZCFIWIBFSA-N 1 2 249.236 1.167 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000334962429 387042452 /nfs/dbraw/zinc/04/24/52/387042452.db2.gz GVMXGOOUSJZQQQ-LLVKDONJSA-N 1 2 237.347 1.993 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@H+]1CCO[C@H](C)C1 ZINC000334962429 387042454 /nfs/dbraw/zinc/04/24/54/387042454.db2.gz GVMXGOOUSJZQQQ-LLVKDONJSA-N 1 2 237.347 1.993 20 0 BDADLO Cc1cc(NC(=O)C2(C)CCC(=O)CC2)cc[nH+]1 ZINC000333527684 387042713 /nfs/dbraw/zinc/04/27/13/387042713.db2.gz IJWQKGDGYUYLLU-UHFFFAOYSA-N 1 2 246.310 1.900 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000639363673 387043334 /nfs/dbraw/zinc/04/33/34/387043334.db2.gz DTZLPFLMLIWBLU-GWCFXTLKSA-N 1 2 235.331 1.985 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3cc[nH]c3)C2)c1 ZINC000369426980 387043989 /nfs/dbraw/zinc/04/39/89/387043989.db2.gz NNUUXEZUXPEVCT-UHFFFAOYSA-N 1 2 216.288 1.577 20 0 BDADLO c1cc2c(nc[nH+]c2Nc2cn[nH]c2)[nH]1 ZINC000359014263 387045089 /nfs/dbraw/zinc/04/50/89/387045089.db2.gz XRDKKVKXPAHFNX-UHFFFAOYSA-N 1 2 200.205 1.425 20 0 BDADLO Cc1nnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)nc1C ZINC000333730172 387051409 /nfs/dbraw/zinc/05/14/09/387051409.db2.gz TWLSIMMOOIEIIM-OIBJUYFYSA-N 1 2 244.302 1.803 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1cccc(F)c1 ZINC000359117975 387057264 /nfs/dbraw/zinc/05/72/64/387057264.db2.gz MTDGGCLQZASNRD-VIFPVBQESA-N 1 2 247.273 1.969 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1cccc(F)c1 ZINC000359117975 387057265 /nfs/dbraw/zinc/05/72/65/387057265.db2.gz MTDGGCLQZASNRD-VIFPVBQESA-N 1 2 247.273 1.969 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1F ZINC000359125837 387057309 /nfs/dbraw/zinc/05/73/09/387057309.db2.gz VFYQHSRODVCWQK-VIFPVBQESA-N 1 2 247.273 1.969 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1F ZINC000359125837 387057311 /nfs/dbraw/zinc/05/73/11/387057311.db2.gz VFYQHSRODVCWQK-VIFPVBQESA-N 1 2 247.273 1.969 20 0 BDADLO CC(C)c1nccc(NCCn2cc[nH+]c2)n1 ZINC000110114336 387060930 /nfs/dbraw/zinc/06/09/30/387060930.db2.gz PGDHJGIOHARZAI-UHFFFAOYSA-N 1 2 231.303 1.909 20 0 BDADLO O=C(CC1CCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334978659 387064549 /nfs/dbraw/zinc/06/45/49/387064549.db2.gz ITJRKMSXUTUNDA-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO O=C(CC1CCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334978659 387064554 /nfs/dbraw/zinc/06/45/54/387064554.db2.gz ITJRKMSXUTUNDA-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2CC=CCC2)[nH+]1 ZINC000359179559 387064756 /nfs/dbraw/zinc/06/47/56/387064756.db2.gz VVCIZZCNONDNDS-LLVKDONJSA-N 1 2 247.346 1.436 20 0 BDADLO Cc1nc(NC[C@@H]2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000359179559 387064758 /nfs/dbraw/zinc/06/47/58/387064758.db2.gz VVCIZZCNONDNDS-LLVKDONJSA-N 1 2 247.346 1.436 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)Cn1cc[nH+]c1 ZINC000519109807 387013878 /nfs/dbraw/zinc/01/38/78/387013878.db2.gz MRDQRPXIABGURI-JTQLQIEISA-N 1 2 221.304 1.530 20 0 BDADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cn[nH]c1 ZINC000358791043 387013969 /nfs/dbraw/zinc/01/39/69/387013969.db2.gz LCPZOFHDKCXISK-CABZTGNLSA-N 1 2 244.298 1.287 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1c[nH+]cn1C(C)C ZINC000425377064 387029037 /nfs/dbraw/zinc/02/90/37/387029037.db2.gz FYQAJGWKFSZUJX-SNVBAGLBSA-N 1 2 239.319 1.457 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](O)[C@@H]1C ZINC000334981928 387070008 /nfs/dbraw/zinc/07/00/08/387070008.db2.gz UOAGKYYSCSYYGJ-JQWIXIFHSA-N 1 2 249.314 1.189 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000352342661 387093410 /nfs/dbraw/zinc/09/34/10/387093410.db2.gz WSAMBOWLYHATEV-SKDRFNHKSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000352342661 387093414 /nfs/dbraw/zinc/09/34/14/387093414.db2.gz WSAMBOWLYHATEV-SKDRFNHKSA-N 1 2 239.319 1.940 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000336261769 387094214 /nfs/dbraw/zinc/09/42/14/387094214.db2.gz NYGDEEYKNIGXRY-MRVPVSSYSA-N 1 2 212.322 1.050 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000336261769 387094216 /nfs/dbraw/zinc/09/42/16/387094216.db2.gz NYGDEEYKNIGXRY-MRVPVSSYSA-N 1 2 212.322 1.050 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CCC(F)(F)F ZINC000359403429 387095681 /nfs/dbraw/zinc/09/56/81/387095681.db2.gz DEKMHDDCZBCITP-OAHLLOKOSA-N 1 2 240.250 1.621 20 0 BDADLO C[C@](O)(C[N@@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263242 387096877 /nfs/dbraw/zinc/09/68/77/387096877.db2.gz YWZBSEPUVMJPGM-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@](O)(C[N@H+]1CC[C@@H](F)C1)C(F)(F)F ZINC000336263242 387096882 /nfs/dbraw/zinc/09/68/82/387096882.db2.gz YWZBSEPUVMJPGM-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO O=C(C1CC1)N1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000335005414 387099924 /nfs/dbraw/zinc/09/99/24/387099924.db2.gz NKJCFJZBQGDZIR-GFCCVEGCSA-N 1 2 220.316 1.607 20 0 BDADLO O=C(C1CC1)N1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000335005414 387099940 /nfs/dbraw/zinc/09/99/40/387099940.db2.gz NKJCFJZBQGDZIR-GFCCVEGCSA-N 1 2 220.316 1.607 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000335009116 387105348 /nfs/dbraw/zinc/10/53/48/387105348.db2.gz LANPOOPMNPCAQJ-WPRPVWTQSA-N 1 2 239.344 1.544 20 0 BDADLO CCOc1cncc(NCc2[nH+]ccn2C)n1 ZINC000359490323 387110226 /nfs/dbraw/zinc/11/02/26/387110226.db2.gz WODNFQKRQCBEDB-UHFFFAOYSA-N 1 2 233.275 1.221 20 0 BDADLO CCCc1nc(C[NH2+][C@H](CO)C(C)(C)C)no1 ZINC000193113949 387117455 /nfs/dbraw/zinc/11/74/55/387117455.db2.gz INHWVXBVUUYVNH-SECBINFHSA-N 1 2 241.335 1.519 20 0 BDADLO CC(C)[C@@H](O)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336315637 387142386 /nfs/dbraw/zinc/14/23/86/387142386.db2.gz VSMFYRATLWTAAU-NXEZZACHSA-N 1 2 237.303 1.090 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000371103925 387148876 /nfs/dbraw/zinc/14/88/76/387148876.db2.gz JRULJHBWKVORSN-RKDXNWHRSA-N 1 2 211.265 1.241 20 0 BDADLO COC[C@@H](C)[N@H+]1CCC[C@@H]1c1ncon1 ZINC000371103925 387148878 /nfs/dbraw/zinc/14/88/78/387148878.db2.gz JRULJHBWKVORSN-RKDXNWHRSA-N 1 2 211.265 1.241 20 0 BDADLO CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353187908 387153664 /nfs/dbraw/zinc/15/36/64/387153664.db2.gz FPMMGMDWCDIUEY-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353187908 387153668 /nfs/dbraw/zinc/15/36/68/387153668.db2.gz FPMMGMDWCDIUEY-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)[C@H]1C ZINC000336331213 387156959 /nfs/dbraw/zinc/15/69/59/387156959.db2.gz PRPKQAMVQOOYOD-SFYZADRCSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)[C@H]1C ZINC000336331213 387156963 /nfs/dbraw/zinc/15/69/63/387156963.db2.gz PRPKQAMVQOOYOD-SFYZADRCSA-N 1 2 207.277 1.787 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)c1ccc(O)cc1 ZINC000336327980 387157362 /nfs/dbraw/zinc/15/73/62/387157362.db2.gz UIMSZDLSCJXNMD-INIZCTEOSA-N 1 2 236.296 1.434 20 0 BDADLO Cc1csc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000336331361 387158372 /nfs/dbraw/zinc/15/83/72/387158372.db2.gz DYBCEAGAIMUGCX-APPZFPTMSA-N 1 2 239.344 1.730 20 0 BDADLO Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000336331361 387158376 /nfs/dbraw/zinc/15/83/76/387158376.db2.gz DYBCEAGAIMUGCX-APPZFPTMSA-N 1 2 239.344 1.730 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000353239478 387163854 /nfs/dbraw/zinc/16/38/54/387163854.db2.gz WQKPWJXESCIYRL-SFYZADRCSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000353239478 387163861 /nfs/dbraw/zinc/16/38/61/387163861.db2.gz WQKPWJXESCIYRL-SFYZADRCSA-N 1 2 213.281 1.406 20 0 BDADLO CC[C@H](NC(=O)Cc1cc(C)no1)c1[nH]cc[nH+]1 ZINC000571767516 387165899 /nfs/dbraw/zinc/16/58/99/387165899.db2.gz LHAMYFBLDCPSLG-JTQLQIEISA-N 1 2 248.286 1.516 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H](C)OC ZINC000229375951 387166818 /nfs/dbraw/zinc/16/68/18/387166818.db2.gz QNQYUPMZEOAGTD-DCAQKATOSA-N 1 2 231.336 1.587 20 0 BDADLO CCO[C@@H]1COCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000353273792 387168716 /nfs/dbraw/zinc/16/87/16/387168716.db2.gz DYXITJABCQXXHH-GHMZBOCLSA-N 1 2 237.303 1.391 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC1(F)CCC1 ZINC000359819648 387169073 /nfs/dbraw/zinc/16/90/73/387169073.db2.gz KULGCAZUHIZVAX-UHFFFAOYSA-N 1 2 239.294 1.672 20 0 BDADLO CCO[C@@H]1COCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000353278595 387171244 /nfs/dbraw/zinc/17/12/44/387171244.db2.gz RJVVFMJQVUBEPC-GHMZBOCLSA-N 1 2 237.303 1.391 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1ccc[nH]1)n1cc[nH+]c1 ZINC000571807054 387173429 /nfs/dbraw/zinc/17/34/29/387173429.db2.gz SVFVYQJLUGEFKH-NSHDSACASA-N 1 2 246.314 1.821 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)co1 ZINC000336347545 387176896 /nfs/dbraw/zinc/17/68/96/387176896.db2.gz ICIYFHVJRXRJMK-LLVKDONJSA-N 1 2 245.282 1.529 20 0 BDADLO C[N@H+](Cc1cccnc1Cl)[C@@H]1CCOC1 ZINC000106880535 387177220 /nfs/dbraw/zinc/17/72/20/387177220.db2.gz YDHKBTHDIJJKMH-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1cccnc1Cl)[C@@H]1CCOC1 ZINC000106880535 387177228 /nfs/dbraw/zinc/17/72/28/387177228.db2.gz YDHKBTHDIJJKMH-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO Cc1ccc(C[NH+]2CCN(C)CC2)c(C)n1 ZINC000336346638 387177185 /nfs/dbraw/zinc/17/71/85/387177185.db2.gz IQDCPFWCXJVRSV-UHFFFAOYSA-N 1 2 219.332 1.446 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCNC(=O)[C@H]1C ZINC000571834793 387179218 /nfs/dbraw/zinc/17/92/18/387179218.db2.gz DGAALSRUFRXZLI-VHSXEESVSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+]1CCNC(=O)[C@H]1C ZINC000571834793 387179225 /nfs/dbraw/zinc/17/92/25/387179225.db2.gz DGAALSRUFRXZLI-VHSXEESVSA-N 1 2 238.356 1.499 20 0 BDADLO COCc1noc([C@@H](C)[N@H+](C)C[C@H](C)OC)n1 ZINC000353323584 387180406 /nfs/dbraw/zinc/18/04/06/387180406.db2.gz ZPEGFBXHINUFND-DTWKUNHWSA-N 1 2 243.307 1.244 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+](C)C[C@H](C)OC)n1 ZINC000353323584 387180408 /nfs/dbraw/zinc/18/04/08/387180408.db2.gz ZPEGFBXHINUFND-DTWKUNHWSA-N 1 2 243.307 1.244 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]CC(F)(F)CN)C12CCC2 ZINC000423334783 387180828 /nfs/dbraw/zinc/18/08/28/387180828.db2.gz FYAWXLSBMAHZNA-ZJUUUORDSA-N 1 2 248.317 1.518 20 0 BDADLO COCc1noc([C@@H](C)[N@H+](C)C[C@@H](C)OC)n1 ZINC000353323586 387181716 /nfs/dbraw/zinc/18/17/16/387181716.db2.gz ZPEGFBXHINUFND-RKDXNWHRSA-N 1 2 243.307 1.244 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+](C)C[C@@H](C)OC)n1 ZINC000353323586 387181721 /nfs/dbraw/zinc/18/17/21/387181721.db2.gz ZPEGFBXHINUFND-RKDXNWHRSA-N 1 2 243.307 1.244 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371272756 387183840 /nfs/dbraw/zinc/18/38/40/387183840.db2.gz HDPIOKQUAXZDAW-SNVBAGLBSA-N 1 2 235.331 1.819 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371272756 387183843 /nfs/dbraw/zinc/18/38/43/387183843.db2.gz HDPIOKQUAXZDAW-SNVBAGLBSA-N 1 2 235.331 1.819 20 0 BDADLO CN(Cc1ccnn1C)c1[nH]c2ccccc2[nH+]1 ZINC000359914026 387190344 /nfs/dbraw/zinc/19/03/44/387190344.db2.gz XEBNLNOHCWZNAF-UHFFFAOYSA-N 1 2 241.298 1.933 20 0 BDADLO Cc1cc(C)c(CNC(=O)N2CCCO2)c[nH+]1 ZINC000334093935 387191278 /nfs/dbraw/zinc/19/12/78/387191278.db2.gz PXYORSNWFFOYNO-UHFFFAOYSA-N 1 2 235.287 1.545 20 0 BDADLO CCc1cccc(F)c1C[N@H+](C)CC(N)=O ZINC000353380077 387192080 /nfs/dbraw/zinc/19/20/80/387192080.db2.gz JJISNZYSSFKXGJ-UHFFFAOYSA-N 1 2 224.279 1.305 20 0 BDADLO CCc1cccc(F)c1C[N@@H+](C)CC(N)=O ZINC000353380077 387192085 /nfs/dbraw/zinc/19/20/85/387192085.db2.gz JJISNZYSSFKXGJ-UHFFFAOYSA-N 1 2 224.279 1.305 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@]23CCOC3)s1 ZINC000370721693 387137081 /nfs/dbraw/zinc/13/70/81/387137081.db2.gz ALLFIYZQESSJQF-LLVKDONJSA-N 1 2 239.344 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@]23CCOC3)s1 ZINC000370721693 387137082 /nfs/dbraw/zinc/13/70/82/387137082.db2.gz ALLFIYZQESSJQF-LLVKDONJSA-N 1 2 239.344 1.601 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000057595739 387139386 /nfs/dbraw/zinc/13/93/86/387139386.db2.gz VZSRQRHKMLODBC-UHFFFAOYSA-N 1 2 240.269 1.739 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000057595739 387139390 /nfs/dbraw/zinc/13/93/90/387139390.db2.gz VZSRQRHKMLODBC-UHFFFAOYSA-N 1 2 240.269 1.739 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336376567 387207050 /nfs/dbraw/zinc/20/70/50/387207050.db2.gz SJFRBVRXNNHLGA-SECBINFHSA-N 1 2 231.259 1.110 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336376567 387207056 /nfs/dbraw/zinc/20/70/56/387207056.db2.gz SJFRBVRXNNHLGA-SECBINFHSA-N 1 2 231.259 1.110 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C1CC1 ZINC000300422240 387211345 /nfs/dbraw/zinc/21/13/45/387211345.db2.gz FNXPKUOTHHPXJP-TUAOUCFPSA-N 1 2 239.315 1.095 20 0 BDADLO O=C(c1ccccn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336383983 387213264 /nfs/dbraw/zinc/21/32/64/387213264.db2.gz PEBSZPCMVFYUNX-LLVKDONJSA-N 1 2 242.282 1.782 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H]1CCCO1 ZINC000187805437 387213775 /nfs/dbraw/zinc/21/37/75/387213775.db2.gz XLKVFJOAWPWWPL-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)C[C@@H]1CCCO1 ZINC000187805437 387213779 /nfs/dbraw/zinc/21/37/79/387213779.db2.gz XLKVFJOAWPWWPL-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO COC(=O)[C@@H]1CCCCCN1Cc1c[nH+]c[nH]1 ZINC000360020279 387214135 /nfs/dbraw/zinc/21/41/35/387214135.db2.gz ULWXVXDMRDUJHH-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO O=C(c1ccccn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336383984 387214442 /nfs/dbraw/zinc/21/44/42/387214442.db2.gz PEBSZPCMVFYUNX-NSHDSACASA-N 1 2 242.282 1.782 20 0 BDADLO CCN(CC1CCC1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000360064248 387222489 /nfs/dbraw/zinc/22/24/89/387222489.db2.gz SNDXTQFWEMQCAY-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CCN(CC1CCC1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000360064248 387222497 /nfs/dbraw/zinc/22/24/97/387222497.db2.gz SNDXTQFWEMQCAY-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H](C)C2CC2)no1 ZINC000572024608 387223545 /nfs/dbraw/zinc/22/35/45/387223545.db2.gz PORXBGDXXXPNIB-QMMMGPOBSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H](C)C2CC2)no1 ZINC000572024608 387223549 /nfs/dbraw/zinc/22/35/49/387223549.db2.gz PORXBGDXXXPNIB-QMMMGPOBSA-N 1 2 209.293 1.862 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572057852 387225787 /nfs/dbraw/zinc/22/57/87/387225787.db2.gz PLLLAQKKNIWNEM-LPEHRKFASA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572057852 387225790 /nfs/dbraw/zinc/22/57/90/387225790.db2.gz PLLLAQKKNIWNEM-LPEHRKFASA-N 1 2 239.319 1.128 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H](CO)O1 ZINC000230013058 387227154 /nfs/dbraw/zinc/22/71/54/387227154.db2.gz NRSWCBHKHJLXEY-PWSUYJOCSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H](CO)O1 ZINC000230013058 387227157 /nfs/dbraw/zinc/22/71/57/387227157.db2.gz NRSWCBHKHJLXEY-PWSUYJOCSA-N 1 2 239.290 1.407 20 0 BDADLO CCO[C@@H](C)c1noc(C[NH+]2CCCC2)n1 ZINC000120338445 387230597 /nfs/dbraw/zinc/23/05/97/387230597.db2.gz AOFUIGJPHUDBEI-VIFPVBQESA-N 1 2 225.292 1.763 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)Nc1[nH+]cnc2c1cnn2C ZINC000230098810 387231144 /nfs/dbraw/zinc/23/11/44/387231144.db2.gz SYGGNVPTGLBILH-QPUJVOFHSA-N 1 2 247.302 1.343 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NCCC1CC1)CC2 ZINC000371695282 387240498 /nfs/dbraw/zinc/24/04/98/387240498.db2.gz FKMJUIYEQMXBHQ-UHFFFAOYSA-N 1 2 248.330 1.517 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000360185355 387241383 /nfs/dbraw/zinc/24/13/83/387241383.db2.gz YMQKFDZNWNPEMU-IUCAKERBSA-N 1 2 207.277 1.462 20 0 BDADLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)COC)no1 ZINC000353605959 387241436 /nfs/dbraw/zinc/24/14/36/387241436.db2.gz CSQSSMBRULCGTQ-DTWKUNHWSA-N 1 2 243.307 1.292 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000371696930 387241521 /nfs/dbraw/zinc/24/15/21/387241521.db2.gz RBSGGQOKLPVLOW-BDAKNGLRSA-N 1 2 211.265 1.241 20 0 BDADLO CO[C@H](C)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000371696930 387241523 /nfs/dbraw/zinc/24/15/23/387241523.db2.gz RBSGGQOKLPVLOW-BDAKNGLRSA-N 1 2 211.265 1.241 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC1(C)C ZINC000228663681 387243042 /nfs/dbraw/zinc/24/30/42/387243042.db2.gz DDFATXBDSWYKKB-QMMMGPOBSA-N 1 2 207.277 1.414 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)CC2 ZINC000371734636 387245930 /nfs/dbraw/zinc/24/59/30/387245930.db2.gz GTJNNKVNZQUPRH-PJXYFTJBSA-N 1 2 245.326 1.580 20 0 BDADLO CCC[C@H](C)c1cc(=NC(=O)[C@H](C)[NH2+]C)[nH][nH]1 ZINC000571894984 387194766 /nfs/dbraw/zinc/19/47/66/387194766.db2.gz OCDQGVFDOJEWDC-IUCAKERBSA-N 1 2 238.335 1.282 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000336371033 387201342 /nfs/dbraw/zinc/20/13/42/387201342.db2.gz MQUBIRNEYJHPBC-LLVKDONJSA-N 1 2 222.292 1.690 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1cc[nH]n1 ZINC000336371033 387201348 /nfs/dbraw/zinc/20/13/48/387201348.db2.gz MQUBIRNEYJHPBC-LLVKDONJSA-N 1 2 222.292 1.690 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000336371034 387201563 /nfs/dbraw/zinc/20/15/63/387201563.db2.gz MQUBIRNEYJHPBC-NSHDSACASA-N 1 2 222.292 1.690 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1cc[nH]n1 ZINC000336371034 387201567 /nfs/dbraw/zinc/20/15/67/387201567.db2.gz MQUBIRNEYJHPBC-NSHDSACASA-N 1 2 222.292 1.690 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1CC1)C2 ZINC000372550491 387312524 /nfs/dbraw/zinc/31/25/24/387312524.db2.gz NASRDFBIZCOZHB-JTQLQIEISA-N 1 2 219.288 1.033 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336429659 387256505 /nfs/dbraw/zinc/25/65/05/387256505.db2.gz PDFOLQNONDOCAC-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ncc(Cl)s1 ZINC000336429659 387256511 /nfs/dbraw/zinc/25/65/11/387256511.db2.gz PDFOLQNONDOCAC-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1ncccn1 ZINC000424724689 387260102 /nfs/dbraw/zinc/26/01/02/387260102.db2.gz RDGVLYOETCFRLZ-UHFFFAOYSA-N 1 2 217.276 1.866 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336449954 387277509 /nfs/dbraw/zinc/27/75/09/387277509.db2.gz NCAAXARNXDLDIT-GHMZBOCLSA-N 1 2 247.342 1.608 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000354286922 387356230 /nfs/dbraw/zinc/35/62/30/387356230.db2.gz YYFOYMVJVWTEAW-BDAKNGLRSA-N 1 2 207.277 1.414 20 0 BDADLO c1c2cccnc2oc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648592775 387362907 /nfs/dbraw/zinc/36/29/07/387362907.db2.gz YTDIHOXKYBZUHF-NWDGAFQWSA-N 1 2 230.267 1.801 20 0 BDADLO c1c2cccnc2oc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000648592775 387362910 /nfs/dbraw/zinc/36/29/10/387362910.db2.gz YTDIHOXKYBZUHF-NWDGAFQWSA-N 1 2 230.267 1.801 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000648592404 387363383 /nfs/dbraw/zinc/36/33/83/387363383.db2.gz BDWVOKODOGIUQB-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000648592404 387363389 /nfs/dbraw/zinc/36/33/89/387363389.db2.gz BDWVOKODOGIUQB-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)CC(F)F ZINC000648473237 387364883 /nfs/dbraw/zinc/36/48/83/387364883.db2.gz VNDMRJPJAFAPII-SECBINFHSA-N 1 2 245.273 1.681 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000515397253 387374944 /nfs/dbraw/zinc/37/49/44/387374944.db2.gz KXRWUFYUUFRQEH-JHJVBQTASA-N 1 2 247.342 1.920 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121545047 387378246 /nfs/dbraw/zinc/37/82/46/387378246.db2.gz SNDUTXLSCSIHMX-JQWIXIFHSA-N 1 2 225.288 1.688 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121545047 387378250 /nfs/dbraw/zinc/37/82/50/387378250.db2.gz SNDUTXLSCSIHMX-JQWIXIFHSA-N 1 2 225.288 1.688 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000336557114 387380000 /nfs/dbraw/zinc/38/00/00/387380000.db2.gz GMUABTPEAOEFKJ-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO Cn1ccc(C[NH2+]Cc2nn(C)cc2Cl)c1 ZINC000393340162 387326247 /nfs/dbraw/zinc/32/62/47/387326247.db2.gz WKZHASYDKATVEL-UHFFFAOYSA-N 1 2 238.722 1.702 20 0 BDADLO Cn1nncc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000336507089 387332044 /nfs/dbraw/zinc/33/20/44/387332044.db2.gz YOZIPWMGGWGOHI-UHFFFAOYSA-N 1 2 248.252 1.589 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)on1 ZINC000336520918 387347011 /nfs/dbraw/zinc/34/70/11/387347011.db2.gz WKVUPDZUQBKDGK-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)on1 ZINC000336520918 387347020 /nfs/dbraw/zinc/34/70/20/387347020.db2.gz WKVUPDZUQBKDGK-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352664788 387427256 /nfs/dbraw/zinc/42/72/56/387427256.db2.gz CRIBHEFARUEUTL-VHSXEESVSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@H]2CCC[C@H]2O)no1 ZINC000352664788 387427263 /nfs/dbraw/zinc/42/72/63/387427263.db2.gz CRIBHEFARUEUTL-VHSXEESVSA-N 1 2 239.319 1.538 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000361277833 387431513 /nfs/dbraw/zinc/43/15/13/387431513.db2.gz GFFRZYSBFCLVNS-LLGDCAAFSA-N 1 2 233.315 1.740 20 0 BDADLO CCC=C(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000361277833 387431518 /nfs/dbraw/zinc/43/15/18/387431518.db2.gz GFFRZYSBFCLVNS-LLGDCAAFSA-N 1 2 233.315 1.740 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374308726 387439270 /nfs/dbraw/zinc/43/92/70/387439270.db2.gz HJNXQJBJUIIAFW-SECBINFHSA-N 1 2 249.289 1.184 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374308726 387439275 /nfs/dbraw/zinc/43/92/75/387439275.db2.gz HJNXQJBJUIIAFW-SECBINFHSA-N 1 2 249.289 1.184 20 0 BDADLO CC(C)(C)OCCCC[NH+]1CCS(=O)CC1 ZINC000354896297 387445377 /nfs/dbraw/zinc/44/53/77/387445377.db2.gz RNQZFADRBQWGQS-UHFFFAOYSA-N 1 2 247.404 1.646 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000374381285 387448984 /nfs/dbraw/zinc/44/89/84/387448984.db2.gz SOFQFENVDGUQLH-LLVKDONJSA-N 1 2 233.315 1.536 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)N1CCC1 ZINC000361424488 387458831 /nfs/dbraw/zinc/45/88/31/387458831.db2.gz IBILNNBBWHQPOE-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000361424488 387458835 /nfs/dbraw/zinc/45/88/35/387458835.db2.gz IBILNNBBWHQPOE-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cn[nH]c2)oc1C ZINC000303621385 387385641 /nfs/dbraw/zinc/38/56/41/387385641.db2.gz OLTSXXYSSIHWIN-MRVPVSSYSA-N 1 2 220.276 1.865 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1cc(=O)c(O)co1 ZINC000121743931 387403652 /nfs/dbraw/zinc/40/36/52/387403652.db2.gz PCTBQAIRYUKRNM-UHFFFAOYSA-N 1 2 246.266 1.372 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1cc(=O)c(O)co1 ZINC000121743931 387403658 /nfs/dbraw/zinc/40/36/58/387403658.db2.gz PCTBQAIRYUKRNM-UHFFFAOYSA-N 1 2 246.266 1.372 20 0 BDADLO CCN(CCCO)c1cc[nH+]c(C2CC2)n1 ZINC000361225269 387419337 /nfs/dbraw/zinc/41/93/37/387419337.db2.gz QEIJQUKBNNKVEE-UHFFFAOYSA-N 1 2 221.304 1.563 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)no1 ZINC000303987289 387422004 /nfs/dbraw/zinc/42/20/04/387422004.db2.gz JEUWFQCDJKSUJP-WCBMZHEXSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)no1 ZINC000303987289 387422008 /nfs/dbraw/zinc/42/20/08/387422008.db2.gz JEUWFQCDJKSUJP-WCBMZHEXSA-N 1 2 225.292 1.113 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)C[C@@H](C)OC ZINC000361580140 387502117 /nfs/dbraw/zinc/50/21/17/387502117.db2.gz ZKLBTWXGJTTYKH-LLVKDONJSA-N 1 2 240.351 1.545 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)C[C@@H](C)OC ZINC000361580140 387502119 /nfs/dbraw/zinc/50/21/19/387502119.db2.gz ZKLBTWXGJTTYKH-LLVKDONJSA-N 1 2 240.351 1.545 20 0 BDADLO Cc1cc(CNC(=O)c2csnn2)cc(C)[nH+]1 ZINC000421923925 387504756 /nfs/dbraw/zinc/50/47/56/387504756.db2.gz UEKVZDKPOJAJCC-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO CO[C@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375044475 387509338 /nfs/dbraw/zinc/50/93/38/387509338.db2.gz YZASWDOQJYLVKD-ZJUUUORDSA-N 1 2 237.303 1.498 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccnn1C ZINC000355282045 387511147 /nfs/dbraw/zinc/51/11/47/387511147.db2.gz POHUZZMZFCDBIU-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccnn1C ZINC000355282045 387511155 /nfs/dbraw/zinc/51/11/55/387511155.db2.gz POHUZZMZFCDBIU-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000162733535 387512800 /nfs/dbraw/zinc/51/28/00/387512800.db2.gz VSWDSYUZKLKMST-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000162733535 387512803 /nfs/dbraw/zinc/51/28/03/387512803.db2.gz VSWDSYUZKLKMST-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396929276 387512837 /nfs/dbraw/zinc/51/28/37/387512837.db2.gz WWGUFQQTHYWPNQ-MNOVXSKESA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000527166374 387513628 /nfs/dbraw/zinc/51/36/28/387513628.db2.gz VJHMYFCNGIXMAW-VWYCJHECSA-N 1 2 236.319 1.464 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1C[C@H](O)C1(C)C ZINC000516491807 387513945 /nfs/dbraw/zinc/51/39/45/387513945.db2.gz LUYVBCWCOOGJFK-ZJUUUORDSA-N 1 2 221.304 1.665 20 0 BDADLO CCC(CC)(C[NH2+][C@@H](C)C(=O)OC)C(=O)OC ZINC000192699822 387527613 /nfs/dbraw/zinc/52/76/13/387527613.db2.gz BKGXITWDQFNPNO-VIFPVBQESA-N 1 2 245.319 1.117 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375334406 387529223 /nfs/dbraw/zinc/52/92/23/387529223.db2.gz BYVYIMIAXBXCEO-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375334406 387529226 /nfs/dbraw/zinc/52/92/26/387529226.db2.gz BYVYIMIAXBXCEO-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375334409 387529801 /nfs/dbraw/zinc/52/98/01/387529801.db2.gz BYVYIMIAXBXCEO-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375334409 387529806 /nfs/dbraw/zinc/52/98/06/387529806.db2.gz BYVYIMIAXBXCEO-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000122462126 387532646 /nfs/dbraw/zinc/53/26/46/387532646.db2.gz CXXFZSCSGLIMQJ-DTWKUNHWSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000122462126 387532647 /nfs/dbraw/zinc/53/26/47/387532647.db2.gz CXXFZSCSGLIMQJ-DTWKUNHWSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1n[nH]cc1C1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000375362181 387533706 /nfs/dbraw/zinc/53/37/06/387533706.db2.gz OVZSVGPZDPUSJA-GFCCVEGCSA-N 1 2 249.314 1.213 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421897523 387469406 /nfs/dbraw/zinc/46/94/06/387469406.db2.gz WAUYCTDSHDOIFP-TUAOUCFPSA-N 1 2 247.342 1.955 20 0 BDADLO COC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000355051351 387470657 /nfs/dbraw/zinc/47/06/57/387470657.db2.gz NFFDUKTYCSBUJP-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc(C[N@@H+](CC2CCC2)[C@H](C)CO)no1 ZINC000361501037 387473532 /nfs/dbraw/zinc/47/35/32/387473532.db2.gz LWXUIXQMNHMUEZ-SECBINFHSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](CC2CCC2)[C@H](C)CO)no1 ZINC000361501037 387473535 /nfs/dbraw/zinc/47/35/35/387473535.db2.gz LWXUIXQMNHMUEZ-SECBINFHSA-N 1 2 239.319 1.361 20 0 BDADLO COC[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(=O)OC ZINC000355070412 387474610 /nfs/dbraw/zinc/47/46/10/387474610.db2.gz ZPGZPBDLRCIKSF-NHCYSSNCSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1nc(C)c(C)o1)CC2 ZINC000374642090 387475485 /nfs/dbraw/zinc/47/54/85/387475485.db2.gz BFPUDCKICBGAFN-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OC ZINC000355088669 387477298 /nfs/dbraw/zinc/47/72/98/387477298.db2.gz PNWUCAFEIPYQMO-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CCOCCN1CCn2cc(C)[nH+]c2C1 ZINC000374661845 387478565 /nfs/dbraw/zinc/47/85/65/387478565.db2.gz MJZMWDJTDKTCDD-UHFFFAOYSA-N 1 2 209.293 1.044 20 0 BDADLO Cc1cc(CNC(=O)[C@H](O)C(C)C)cc(C)[nH+]1 ZINC000421905864 387479148 /nfs/dbraw/zinc/47/91/48/387479148.db2.gz ALGTUXNUBRSETE-GFCCVEGCSA-N 1 2 236.315 1.332 20 0 BDADLO C[C@H]([C@H](C)NC(=O)C1CCC1)[NH+]1CCOCC1 ZINC000355129573 387484803 /nfs/dbraw/zinc/48/48/03/387484803.db2.gz FLSVDPYSDWNJFH-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ncoc1C)CC2 ZINC000374713309 387485301 /nfs/dbraw/zinc/48/53/01/387485301.db2.gz JULKZBITSCSYRU-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000648504951 387485959 /nfs/dbraw/zinc/48/59/59/387485959.db2.gz ZQWRJNVBSMQTHL-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000648504951 387485962 /nfs/dbraw/zinc/48/59/62/387485962.db2.gz ZQWRJNVBSMQTHL-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374819468 387491628 /nfs/dbraw/zinc/49/16/28/387491628.db2.gz NPOYCMFTOXYPMG-QWHCGFSZSA-N 1 2 247.294 1.241 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374819468 387491629 /nfs/dbraw/zinc/49/16/29/387491629.db2.gz NPOYCMFTOXYPMG-QWHCGFSZSA-N 1 2 247.294 1.241 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccncc1F)CC2 ZINC000648511352 387491760 /nfs/dbraw/zinc/49/17/60/387491760.db2.gz WLQPBUJNYQKCCR-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccncc1F)CC2 ZINC000648511352 387491763 /nfs/dbraw/zinc/49/17/63/387491763.db2.gz WLQPBUJNYQKCCR-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374825143 387492078 /nfs/dbraw/zinc/49/20/78/387492078.db2.gz XZRSYFVNIJWZRS-GXFFZTMASA-N 1 2 249.310 1.487 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374825143 387492084 /nfs/dbraw/zinc/49/20/84/387492084.db2.gz XZRSYFVNIJWZRS-GXFFZTMASA-N 1 2 249.310 1.487 20 0 BDADLO CCCc1nc(C[N@H+](CC)C[C@H](C)OC)no1 ZINC000361561495 387492430 /nfs/dbraw/zinc/49/24/30/387492430.db2.gz AKMJIGIWNUNJET-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1nc(C[N@@H+](CC)C[C@H](C)OC)no1 ZINC000361561495 387492440 /nfs/dbraw/zinc/49/24/40/387492440.db2.gz AKMJIGIWNUNJET-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@H]1c1ncon1 ZINC000375778066 387581792 /nfs/dbraw/zinc/58/17/92/387581792.db2.gz UQRWOZXRSBGAHI-VIFPVBQESA-N 1 2 233.275 1.140 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1COc2ccccc21)C(=O)OC ZINC000336790085 387582095 /nfs/dbraw/zinc/58/20/95/387582095.db2.gz VVYGDIMBPMLKOH-PWSUYJOCSA-N 1 2 249.310 1.704 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000355880386 387582459 /nfs/dbraw/zinc/58/24/59/387582459.db2.gz NQFFUKBQPDBCAH-KUTMEBCESA-N 1 2 243.294 1.780 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(F)(F)F ZINC000355880386 387582462 /nfs/dbraw/zinc/58/24/62/387582462.db2.gz NQFFUKBQPDBCAH-KUTMEBCESA-N 1 2 243.294 1.780 20 0 BDADLO O=C1C[N@@H+](CC2(F)CC2)[C@H]2CCCC[C@H]2N1 ZINC000527511064 387590612 /nfs/dbraw/zinc/59/06/12/387590612.db2.gz SLCPQNCGDPUQSR-ZJUUUORDSA-N 1 2 226.295 1.232 20 0 BDADLO O=C1C[N@H+](CC2(F)CC2)[C@H]2CCCC[C@H]2N1 ZINC000527511064 387590615 /nfs/dbraw/zinc/59/06/15/387590615.db2.gz SLCPQNCGDPUQSR-ZJUUUORDSA-N 1 2 226.295 1.232 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000362283695 387592512 /nfs/dbraw/zinc/59/25/12/387592512.db2.gz SBFNILYNSINUEW-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCC(F)(F)F ZINC000362283695 387592514 /nfs/dbraw/zinc/59/25/14/387592514.db2.gz SBFNILYNSINUEW-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000355942059 387596340 /nfs/dbraw/zinc/59/63/40/387596340.db2.gz SWBWQOXVUCRDKG-VWYCJHECSA-N 1 2 233.315 1.360 20 0 BDADLO CN(Cc1ccco1)C(=O)COCc1[nH]cc[nH+]1 ZINC000123811303 387596417 /nfs/dbraw/zinc/59/64/17/387596417.db2.gz VKRDFJADPKLYPD-UHFFFAOYSA-N 1 2 249.270 1.178 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)CC2(C)C)ccn1 ZINC000527537790 387606977 /nfs/dbraw/zinc/60/69/77/387606977.db2.gz FTOHASUAVBHPAY-UHFFFAOYSA-N 1 2 233.359 1.916 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)CC2(C)C)ccn1 ZINC000527537790 387606981 /nfs/dbraw/zinc/60/69/81/387606981.db2.gz FTOHASUAVBHPAY-UHFFFAOYSA-N 1 2 233.359 1.916 20 0 BDADLO CSCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000362407959 387607417 /nfs/dbraw/zinc/60/74/17/387607417.db2.gz PEATYZMBFWBZFO-QMMMGPOBSA-N 1 2 239.344 1.136 20 0 BDADLO CSCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000362407959 387607421 /nfs/dbraw/zinc/60/74/21/387607421.db2.gz PEATYZMBFWBZFO-QMMMGPOBSA-N 1 2 239.344 1.136 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2c(c1)C(=O)NC2 ZINC000124275813 387609546 /nfs/dbraw/zinc/60/95/46/387609546.db2.gz BRHHNVKNWSZTDD-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO CC[C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000422637131 387610082 /nfs/dbraw/zinc/61/00/82/387610082.db2.gz XLMQUWZGPIMJQZ-JGVFFNPUSA-N 1 2 220.263 1.146 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000433134290 387610177 /nfs/dbraw/zinc/61/01/77/387610177.db2.gz QMVSQXMJSCEGSJ-ULKQDVFKSA-N 1 2 247.298 1.031 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000433134290 387610184 /nfs/dbraw/zinc/61/01/84/387610184.db2.gz QMVSQXMJSCEGSJ-ULKQDVFKSA-N 1 2 247.298 1.031 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000356129506 387618998 /nfs/dbraw/zinc/61/89/98/387618998.db2.gz CGOFJMNWEWLZPR-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000356129506 387619003 /nfs/dbraw/zinc/61/90/03/387619003.db2.gz CGOFJMNWEWLZPR-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)ccn1 ZINC000527533162 387623803 /nfs/dbraw/zinc/62/38/03/387623803.db2.gz HDIUIOCMAAYJRH-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)ccn1 ZINC000527533162 387623808 /nfs/dbraw/zinc/62/38/08/387623808.db2.gz HDIUIOCMAAYJRH-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO c1cn(Cc2nnc(C3CC3)s2)c[nH+]1 ZINC000527533323 387625705 /nfs/dbraw/zinc/62/57/05/387625705.db2.gz ODEDJGSUHAQCHS-UHFFFAOYSA-N 1 2 206.274 1.660 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(SC)CC1 ZINC000355529650 387547846 /nfs/dbraw/zinc/54/78/46/387547846.db2.gz KIGPGCAXDBALBT-UHFFFAOYSA-N 1 2 236.340 1.900 20 0 BDADLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)c1cccnc1 ZINC000355593103 387554118 /nfs/dbraw/zinc/55/41/18/387554118.db2.gz IPQSJEAZEPHHJI-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cncnc1 ZINC000355583610 387554616 /nfs/dbraw/zinc/55/46/16/387554616.db2.gz NSZJHNWEGHVROS-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cncnc1 ZINC000355583610 387554617 /nfs/dbraw/zinc/55/46/17/387554617.db2.gz NSZJHNWEGHVROS-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC1(C)CC1 ZINC000527475478 387572813 /nfs/dbraw/zinc/57/28/13/387572813.db2.gz KLLZZZWRVUBDIL-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332867760 387575716 /nfs/dbraw/zinc/57/57/16/387575716.db2.gz DHVCPEBILFHTRT-GARJFASQSA-N 1 2 247.342 1.675 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332867760 387575725 /nfs/dbraw/zinc/57/57/25/387575725.db2.gz DHVCPEBILFHTRT-GARJFASQSA-N 1 2 247.342 1.675 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)ccn1 ZINC000527536205 387631913 /nfs/dbraw/zinc/63/19/13/387631913.db2.gz YFLKGIVJDGIIKN-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC2CC2)ccn1 ZINC000527536205 387631917 /nfs/dbraw/zinc/63/19/17/387631917.db2.gz YFLKGIVJDGIIKN-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO COCc1nc(C[N@H+](C)CC(C)(C)C)no1 ZINC000356242693 387632219 /nfs/dbraw/zinc/63/22/19/387632219.db2.gz MCURVAMBYVBNFJ-UHFFFAOYSA-N 1 2 227.308 1.694 20 0 BDADLO COCc1nc(C[N@@H+](C)CC(C)(C)C)no1 ZINC000356242693 387632222 /nfs/dbraw/zinc/63/22/22/387632222.db2.gz MCURVAMBYVBNFJ-UHFFFAOYSA-N 1 2 227.308 1.694 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362573668 387633166 /nfs/dbraw/zinc/63/31/66/387633166.db2.gz VVZIRSHJUKSORS-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362573668 387633170 /nfs/dbraw/zinc/63/31/70/387633170.db2.gz VVZIRSHJUKSORS-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000356318522 387644273 /nfs/dbraw/zinc/64/42/73/387644273.db2.gz LNRUPSWGFVYNEE-SECBINFHSA-N 1 2 245.273 1.779 20 0 BDADLO CCSCC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356338067 387645514 /nfs/dbraw/zinc/64/55/14/387645514.db2.gz HKOHRHWRXZDMGN-LLVKDONJSA-N 1 2 243.372 1.419 20 0 BDADLO CCSCC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356338067 387645519 /nfs/dbraw/zinc/64/55/19/387645519.db2.gz HKOHRHWRXZDMGN-LLVKDONJSA-N 1 2 243.372 1.419 20 0 BDADLO Cc1ccc(CNc2ccc(CO)c[nH+]2)nc1 ZINC000356337110 387645824 /nfs/dbraw/zinc/64/58/24/387645824.db2.gz GGXIEERQDYKHMB-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ccn1 ZINC000362691172 387650745 /nfs/dbraw/zinc/65/07/45/387650745.db2.gz YQSISZIOQGLWCK-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccn1 ZINC000362691172 387650747 /nfs/dbraw/zinc/65/07/47/387650747.db2.gz YQSISZIOQGLWCK-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO C[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000149357157 387651549 /nfs/dbraw/zinc/65/15/49/387651549.db2.gz CWNALDYIHGSJHK-JTQLQIEISA-N 1 2 211.236 1.129 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC000344083453 387651561 /nfs/dbraw/zinc/65/15/61/387651561.db2.gz PDWSZIFYQJXXEA-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1ccc(O)c(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000548519721 387656449 /nfs/dbraw/zinc/65/64/49/387656449.db2.gz MMYYAWYVXNLDSH-UHFFFAOYSA-N 1 2 245.282 1.615 20 0 BDADLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C(F)(F)F ZINC000356431094 387657105 /nfs/dbraw/zinc/65/71/05/387657105.db2.gz GMNMIFLQVLNWFV-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548520584 387658694 /nfs/dbraw/zinc/65/86/94/387658694.db2.gz GAJKTQAORZONJT-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000430906248 387659216 /nfs/dbraw/zinc/65/92/16/387659216.db2.gz JILRHWHFDZNRPS-SECBINFHSA-N 1 2 237.303 1.688 20 0 BDADLO Cc1nc(N(C)[C@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000362838847 387664630 /nfs/dbraw/zinc/66/46/30/387664630.db2.gz FXCDJNYYSLOAEC-VIFPVBQESA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@H]2CC2(C)C)[nH+]1 ZINC000362838847 387664634 /nfs/dbraw/zinc/66/46/34/387664634.db2.gz FXCDJNYYSLOAEC-VIFPVBQESA-N 1 2 235.335 1.481 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncnn2C)ccn1 ZINC000527701244 387665604 /nfs/dbraw/zinc/66/56/04/387665604.db2.gz UUXHDYLLDIDNCD-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]nc1C1CC1 ZINC000356517229 387667265 /nfs/dbraw/zinc/66/72/65/387667265.db2.gz JQVUBIRYBAJGTP-UHFFFAOYSA-N 1 2 245.286 1.282 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000126095518 387673653 /nfs/dbraw/zinc/67/36/53/387673653.db2.gz JZPZLAHCBZYIRO-SECBINFHSA-N 1 2 241.360 1.580 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(c2ncccn2)CC1 ZINC000440707604 387675854 /nfs/dbraw/zinc/67/58/54/387675854.db2.gz VKYKCIDGXIBLQF-LLVKDONJSA-N 1 2 238.310 1.347 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000440711207 387678777 /nfs/dbraw/zinc/67/87/77/387678777.db2.gz IBRDDZBYQRVZAO-ZJUUUORDSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000440711207 387678782 /nfs/dbraw/zinc/67/87/82/387678782.db2.gz IBRDDZBYQRVZAO-ZJUUUORDSA-N 1 2 239.356 1.490 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccnc(C)c2)s1 ZINC000527690670 387684715 /nfs/dbraw/zinc/68/47/15/387684715.db2.gz JEXNSHZJXFLCPE-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000356655229 387689248 /nfs/dbraw/zinc/68/92/48/387689248.db2.gz WXZOOFNMFMUZPJ-VHSXEESVSA-N 1 2 239.294 1.310 20 0 BDADLO CCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363079221 387689468 /nfs/dbraw/zinc/68/94/68/387689468.db2.gz RZEYFTAELZEIJY-LLVKDONJSA-N 1 2 235.331 1.752 20 0 BDADLO C[C@@H](F)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000356657037 387690040 /nfs/dbraw/zinc/69/00/40/387690040.db2.gz YPLCDQIKBXYFDR-MRVPVSSYSA-N 1 2 227.283 1.552 20 0 BDADLO CC[C@@H](F)C[N@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000440773102 387693321 /nfs/dbraw/zinc/69/33/21/387693321.db2.gz WYIUHKSXSJSWSV-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000440773102 387693323 /nfs/dbraw/zinc/69/33/23/387693323.db2.gz WYIUHKSXSJSWSV-NXEZZACHSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000000512975 387693522 /nfs/dbraw/zinc/69/35/22/387693522.db2.gz TXXICZCKEFNWIP-VIFPVBQESA-N 1 2 219.288 1.756 20 0 BDADLO Cc1nc(CN2CCc3c([nH+]cn3C)C2)cs1 ZINC000377757485 387746194 /nfs/dbraw/zinc/74/61/94/387746194.db2.gz DJADAUZXLLKNSN-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO CC[C@@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000422793148 387697117 /nfs/dbraw/zinc/69/71/17/387697117.db2.gz RTLXDPUKFXGLMV-GXSJLCMTSA-N 1 2 249.314 1.638 20 0 BDADLO CCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377330104 387711621 /nfs/dbraw/zinc/71/16/21/387711621.db2.gz KXAKSKCBJPPKJM-SECBINFHSA-N 1 2 236.319 1.366 20 0 BDADLO CCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377330104 387711625 /nfs/dbraw/zinc/71/16/25/387711625.db2.gz KXAKSKCBJPPKJM-SECBINFHSA-N 1 2 236.319 1.366 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(C)(F)F)CC2 ZINC000377401811 387715206 /nfs/dbraw/zinc/71/52/06/387715206.db2.gz KTXPEQMCCJHPKK-UHFFFAOYSA-N 1 2 229.230 1.189 20 0 BDADLO c1cnn(CC[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000377499673 387724169 /nfs/dbraw/zinc/72/41/69/387724169.db2.gz RNDOOTPGUTUALE-SNVBAGLBSA-N 1 2 233.275 1.103 20 0 BDADLO c1cnn(CC[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000377499673 387724173 /nfs/dbraw/zinc/72/41/73/387724173.db2.gz RNDOOTPGUTUALE-SNVBAGLBSA-N 1 2 233.275 1.103 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000527803845 387724468 /nfs/dbraw/zinc/72/44/68/387724468.db2.gz KSLFXAWWRBPRDK-YJBLWWEUSA-N 1 2 223.320 1.620 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCOC[C@H](C)C2)nn1 ZINC000377550762 387725662 /nfs/dbraw/zinc/72/56/62/387725662.db2.gz RKDOETLZTFVZGU-LLVKDONJSA-N 1 2 238.335 1.327 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCOC[C@H](C)C2)nn1 ZINC000377550762 387725673 /nfs/dbraw/zinc/72/56/73/387725673.db2.gz RKDOETLZTFVZGU-LLVKDONJSA-N 1 2 238.335 1.327 20 0 BDADLO O=C(CCCC(F)(F)F)Nc1cc[nH+]cc1O ZINC000356857884 387731949 /nfs/dbraw/zinc/73/19/49/387731949.db2.gz BNPPMKXKWDJHCA-UHFFFAOYSA-N 1 2 248.204 1.880 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)CC1 ZINC000367667430 387740472 /nfs/dbraw/zinc/74/04/72/387740472.db2.gz BALGRCRTCIXLBR-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)CC1 ZINC000367667430 387740477 /nfs/dbraw/zinc/74/04/77/387740477.db2.gz BALGRCRTCIXLBR-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO O=C(/C=C/c1ccco1)N1CCn2c[nH+]cc2C1 ZINC000378052470 387762946 /nfs/dbraw/zinc/76/29/46/387762946.db2.gz IFOZAAAWKWLZIG-ONEGZZNKSA-N 1 2 243.266 1.532 20 0 BDADLO CC[C@@H](C)OCC(=O)N1CCn2c[nH+]cc2C1 ZINC000378109050 387766004 /nfs/dbraw/zinc/76/60/04/387766004.db2.gz OEFLYODSTSODED-SNVBAGLBSA-N 1 2 237.303 1.040 20 0 BDADLO O=C(CC[C@H]1CCOC1)N1CCn2c[nH+]cc2C1 ZINC000378121900 387766228 /nfs/dbraw/zinc/76/62/28/387766228.db2.gz VFBHSZIDYZGCPW-NSHDSACASA-N 1 2 249.314 1.042 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000422911525 387771735 /nfs/dbraw/zinc/77/17/35/387771735.db2.gz TYXRDJSPQJRQFB-HQJQHLMTSA-N 1 2 242.269 1.879 20 0 BDADLO COCC1CCN(c2[nH+]cccc2OC)CC1 ZINC000527891995 387775848 /nfs/dbraw/zinc/77/58/48/387775848.db2.gz HXBSMVYDLSPEGB-UHFFFAOYSA-N 1 2 236.315 1.953 20 0 BDADLO CC[C@H](NC(=O)CCn1cc[nH+]c1)C(F)F ZINC000452244280 387778479 /nfs/dbraw/zinc/77/84/79/387778479.db2.gz LQJPHFCEPNSJIR-QMMMGPOBSA-N 1 2 231.246 1.433 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1[nH+]cccc1OC ZINC000527944558 387781094 /nfs/dbraw/zinc/78/10/94/387781094.db2.gz NVPZBVUERSOARH-ZJUUUORDSA-N 1 2 249.314 1.417 20 0 BDADLO Cc1nc(C[N@@H+]2CC3CCC2CC3)no1 ZINC000378383307 387782212 /nfs/dbraw/zinc/78/22/12/387782212.db2.gz PMLAPFHCBVQYFX-UHFFFAOYSA-N 1 2 207.277 1.752 20 0 BDADLO Cc1nc(C[N@H+]2CC3CCC2CC3)no1 ZINC000378383307 387782216 /nfs/dbraw/zinc/78/22/16/387782216.db2.gz PMLAPFHCBVQYFX-UHFFFAOYSA-N 1 2 207.277 1.752 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC12CCC(CC1)C2 ZINC000450478725 387784771 /nfs/dbraw/zinc/78/47/71/387784771.db2.gz IQVHVBGVTZCLRP-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC12CCC(CC1)C2 ZINC000450478725 387784774 /nfs/dbraw/zinc/78/47/74/387784774.db2.gz IQVHVBGVTZCLRP-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO Cc1nnc(CN2CCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000378481328 387787483 /nfs/dbraw/zinc/78/74/83/387787483.db2.gz JLHQXTIAAFASSM-VIFPVBQESA-N 1 2 249.343 1.907 20 0 BDADLO CSCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378515509 387789002 /nfs/dbraw/zinc/78/90/02/387789002.db2.gz DKGCQVVMWYJQBL-VIFPVBQESA-N 1 2 239.344 1.826 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1CC1(F)F ZINC000452158597 387759578 /nfs/dbraw/zinc/75/95/78/387759578.db2.gz IAEIPBGEHWZEMQ-MRVPVSSYSA-N 1 2 242.225 1.362 20 0 BDADLO CC(C)[C@@H](NC(=O)COC(F)F)c1[nH]cc[nH+]1 ZINC000356986047 387760626 /nfs/dbraw/zinc/76/06/26/387760626.db2.gz SYINDEQRSBEQAD-MRVPVSSYSA-N 1 2 247.245 1.462 20 0 BDADLO C[C@H](O)C[N@@H+]1CCN(CC2(C)CCC2)[C@@H](C)C1 ZINC000432798147 387821602 /nfs/dbraw/zinc/82/16/02/387821602.db2.gz NTLKFBCAZJNCON-STQMWFEESA-N 1 2 240.391 1.564 20 0 BDADLO C[C@H](O)C[N@H+]1CCN(CC2(C)CCC2)[C@@H](C)C1 ZINC000432798147 387821604 /nfs/dbraw/zinc/82/16/04/387821604.db2.gz NTLKFBCAZJNCON-STQMWFEESA-N 1 2 240.391 1.564 20 0 BDADLO COC(=O)[C@H]1CCCCCN1Cc1c[nH+]c[nH]1 ZINC000360020278 387824115 /nfs/dbraw/zinc/82/41/15/387824115.db2.gz ULWXVXDMRDUJHH-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO COc1cccnc1N1CCn2c[nH+]cc2C1 ZINC000528022598 387827265 /nfs/dbraw/zinc/82/72/65/387827265.db2.gz KPAIXOWSCAFVEA-UHFFFAOYSA-N 1 2 230.271 1.307 20 0 BDADLO CC(C)CC1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000442720305 387828405 /nfs/dbraw/zinc/82/84/05/387828405.db2.gz XYTIAQSACZAKMH-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CC(C)CC1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000442720305 387828409 /nfs/dbraw/zinc/82/84/09/387828409.db2.gz XYTIAQSACZAKMH-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](O)C(C)C)[C@H](C)CC ZINC000432845903 387831892 /nfs/dbraw/zinc/83/18/92/387831892.db2.gz LEYOGZVQPBDCMD-GRYCIOLGSA-N 1 2 245.363 1.571 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000432849190 387832518 /nfs/dbraw/zinc/83/25/18/387832518.db2.gz ZSVPLFHBDXQICB-WDEREUQCSA-N 1 2 235.331 1.859 20 0 BDADLO CC1(C(N)=O)CN(c2[nH+]ccc3ccccc32)C1 ZINC000528040557 387837262 /nfs/dbraw/zinc/83/72/62/387837262.db2.gz OJVGHIQMZFOTTG-UHFFFAOYSA-N 1 2 241.294 1.546 20 0 BDADLO COc1nccnc1C[NH2+]Cc1ccoc1C ZINC000648431645 387838328 /nfs/dbraw/zinc/83/83/28/387838328.db2.gz QYFUQNDINBPMHQ-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H](C)COCC)C(=O)OCC ZINC000432912882 387839466 /nfs/dbraw/zinc/83/94/66/387839466.db2.gz CWKOYJSCHPNQRJ-LHXDFBSTSA-N 1 2 243.347 1.899 20 0 BDADLO O[C@H](CNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000528134308 387850538 /nfs/dbraw/zinc/85/05/38/387850538.db2.gz ZJZLMTCEMNJYKM-NXEZZACHSA-N 1 2 208.261 1.033 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCn2ccnc2C1 ZINC000062256240 387852220 /nfs/dbraw/zinc/85/22/20/387852220.db2.gz MGVGRKYLJMLECE-SNVBAGLBSA-N 1 2 223.320 1.106 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCn2ccnc2C1 ZINC000062256240 387852225 /nfs/dbraw/zinc/85/22/25/387852225.db2.gz MGVGRKYLJMLECE-SNVBAGLBSA-N 1 2 223.320 1.106 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423039636 387853713 /nfs/dbraw/zinc/85/37/13/387853713.db2.gz FUPHUNGFMCEPEB-CGYDSVCVSA-N 1 2 240.253 1.489 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cncn2C(C)C)n1 ZINC000424166528 387854322 /nfs/dbraw/zinc/85/43/22/387854322.db2.gz GDXGVDDPHHTQIL-UHFFFAOYSA-N 1 2 247.346 1.970 20 0 BDADLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]CC1CC1 ZINC000433042358 387855183 /nfs/dbraw/zinc/85/51/83/387855183.db2.gz YWKFQHWDXMIWDT-ZDUSSCGKSA-N 1 2 248.326 1.555 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC1(C)CC1 ZINC000452568824 387859986 /nfs/dbraw/zinc/85/99/86/387859986.db2.gz CHFZRIABAHPSQH-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000528158844 387860192 /nfs/dbraw/zinc/86/01/92/387860192.db2.gz QZQNSBUPKVSPRI-MFKMUULPSA-N 1 2 233.315 1.755 20 0 BDADLO COC(=O)C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000193717849 387861780 /nfs/dbraw/zinc/86/17/80/387861780.db2.gz LAJPIQFKVMJZPP-UHFFFAOYSA-N 1 2 249.310 1.269 20 0 BDADLO COC(=O)C[N@H+]1CCc2cccc(OC)c2CC1 ZINC000193717849 387861785 /nfs/dbraw/zinc/86/17/85/387861785.db2.gz LAJPIQFKVMJZPP-UHFFFAOYSA-N 1 2 249.310 1.269 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000452572641 387862554 /nfs/dbraw/zinc/86/25/54/387862554.db2.gz UINNVGQRVLZMLG-QWRGUYRKSA-N 1 2 233.315 1.565 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@]12CCOC2 ZINC000193671270 387863088 /nfs/dbraw/zinc/86/30/88/387863088.db2.gz KEQNUTMBIWJTNV-UDIQPFLZSA-N 1 2 217.696 1.230 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@]12CCOC2 ZINC000193671270 387863094 /nfs/dbraw/zinc/86/30/94/387863094.db2.gz KEQNUTMBIWJTNV-UDIQPFLZSA-N 1 2 217.696 1.230 20 0 BDADLO CC/C=C/CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000452607781 387872055 /nfs/dbraw/zinc/87/20/55/387872055.db2.gz VXUHNAVXDRTKHQ-AATRIKPKSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1ccn(Cc2[nH+]ccn2C(F)F)c(=O)c1 ZINC000135019451 387815679 /nfs/dbraw/zinc/81/56/79/387815679.db2.gz HOTJCCSVSKQVPA-UHFFFAOYSA-N 1 2 239.225 1.797 20 0 BDADLO Nc1ncc(CNc2ccc(CO)c[nH+]2)s1 ZINC000309539426 387818390 /nfs/dbraw/zinc/81/83/90/387818390.db2.gz FZAUARIRXNXHIP-UHFFFAOYSA-N 1 2 236.300 1.225 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H](C)c1nccn1C ZINC000168680731 387897918 /nfs/dbraw/zinc/89/79/18/387897918.db2.gz BCMNAIMQXACDLH-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000645862020 387883828 /nfs/dbraw/zinc/88/38/28/387883828.db2.gz VDBKOEHVOXGSQV-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cccc(CC[N@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000645862020 387883833 /nfs/dbraw/zinc/88/38/33/387883833.db2.gz VDBKOEHVOXGSQV-GFCCVEGCSA-N 1 2 247.342 1.095 20 0 BDADLO C[C@@H]1CC[C@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000528228611 387884769 /nfs/dbraw/zinc/88/47/69/387884769.db2.gz BEVDYOLWIAKRBT-RKDXNWHRSA-N 1 2 234.259 1.554 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccn(C)c2)n1 ZINC000424188585 387910571 /nfs/dbraw/zinc/91/05/71/387910571.db2.gz KVPOBUSMUHDFNU-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO Cc1noc(C)c1CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000444701102 387912557 /nfs/dbraw/zinc/91/25/57/387912557.db2.gz HHSFAYILVHOJTA-SECBINFHSA-N 1 2 249.318 1.313 20 0 BDADLO C[C@H](c1cc(F)ccc1F)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444699590 387913998 /nfs/dbraw/zinc/91/39/98/387913998.db2.gz DWOBJLXPDWPBOS-MKCWBWRRSA-N 1 2 243.253 1.063 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nsc(N(C)C)n1 ZINC000158193068 387938302 /nfs/dbraw/zinc/93/83/02/387938302.db2.gz PZPYPKFFXSDFPP-UHFFFAOYSA-N 1 2 244.364 1.119 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000438574179 387946090 /nfs/dbraw/zinc/94/60/90/387946090.db2.gz CHFNSIXHIWBKLX-GMTAPVOTSA-N 1 2 233.315 1.218 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)[C@@H]1SC ZINC000459501483 387951127 /nfs/dbraw/zinc/95/11/27/387951127.db2.gz FDZKRBWLMMBIOO-JLIMGVALSA-N 1 2 247.360 1.047 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC1=CCCC1 ZINC000645880503 387958230 /nfs/dbraw/zinc/95/82/30/387958230.db2.gz PYANGHRPXBLTGQ-JTQLQIEISA-N 1 2 217.259 1.799 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC1=CCCC1 ZINC000645880503 387958235 /nfs/dbraw/zinc/95/82/35/387958235.db2.gz PYANGHRPXBLTGQ-JTQLQIEISA-N 1 2 217.259 1.799 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CC)c2)C[C@@H](C)O1 ZINC000245568718 387961615 /nfs/dbraw/zinc/96/16/15/387961615.db2.gz VMUWBZJLRAUBCI-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)C[C@@H](C)O1 ZINC000245568718 387961620 /nfs/dbraw/zinc/96/16/20/387961620.db2.gz VMUWBZJLRAUBCI-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423183787 387969339 /nfs/dbraw/zinc/96/93/39/387969339.db2.gz HQMUIUVBZPBVER-VXNVDRBHSA-N 1 2 239.344 1.305 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1C ZINC000423203488 387990200 /nfs/dbraw/zinc/99/02/00/387990200.db2.gz MXPBBIYZEUKLJT-KHQFGBGNSA-N 1 2 239.344 1.257 20 0 BDADLO C[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245769514 387983211 /nfs/dbraw/zinc/98/32/11/387983211.db2.gz KFPQWMBJPZRGSM-RKDXNWHRSA-N 1 2 241.335 1.741 20 0 BDADLO C[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000245769514 387983214 /nfs/dbraw/zinc/98/32/14/387983214.db2.gz KFPQWMBJPZRGSM-RKDXNWHRSA-N 1 2 241.335 1.741 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548096611 387986334 /nfs/dbraw/zinc/98/63/34/387986334.db2.gz AGPSWVANQZAXHE-UMNHJUIQSA-N 1 2 234.299 1.778 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548096611 387986337 /nfs/dbraw/zinc/98/63/37/387986337.db2.gz AGPSWVANQZAXHE-UMNHJUIQSA-N 1 2 234.299 1.778 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCOC1 ZINC000106937075 387987239 /nfs/dbraw/zinc/98/72/39/387987239.db2.gz LEHXCCRVWDONBY-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCOC1 ZINC000106937075 387987242 /nfs/dbraw/zinc/98/72/42/387987242.db2.gz LEHXCCRVWDONBY-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446084820 387999578 /nfs/dbraw/zinc/99/95/78/387999578.db2.gz UTPFJBRYPWQQOM-NNYUYHANSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446084820 387999581 /nfs/dbraw/zinc/99/95/81/387999581.db2.gz UTPFJBRYPWQQOM-NNYUYHANSA-N 1 2 242.363 1.399 20 0 BDADLO CCOC(=O)C[C@H](C)SCc1c[nH+]cn1C ZINC000439529832 388007581 /nfs/dbraw/zinc/00/75/81/388007581.db2.gz OBAKLOJELJQGDO-VIFPVBQESA-N 1 2 242.344 1.995 20 0 BDADLO COC(=O)c1cccc(OCc2c[nH+]cn2C)c1 ZINC000439553909 388008797 /nfs/dbraw/zinc/00/87/97/388008797.db2.gz UXHSXJJSPOQTSP-UHFFFAOYSA-N 1 2 246.266 1.786 20 0 BDADLO CC(=O)Nc1ccccc1OCc1c[nH+]cn1C ZINC000439545306 388009604 /nfs/dbraw/zinc/00/96/04/388009604.db2.gz DLFMHUBKIWUXKB-UHFFFAOYSA-N 1 2 245.282 1.958 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446080648 387996602 /nfs/dbraw/zinc/99/66/02/387996602.db2.gz SPIWFYUFKVDIHN-GUBZILKMSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446080648 387996607 /nfs/dbraw/zinc/99/66/07/387996607.db2.gz SPIWFYUFKVDIHN-GUBZILKMSA-N 1 2 224.304 1.981 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000446755601 388037683 /nfs/dbraw/zinc/03/76/83/388037683.db2.gz XCKPKWPLTJKBNR-GHMZBOCLSA-N 1 2 243.347 1.731 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453317153 388043397 /nfs/dbraw/zinc/04/33/97/388043397.db2.gz JJVNBKVXCMNQJM-WOPDTQHZSA-N 1 2 245.363 1.976 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453317150 388043793 /nfs/dbraw/zinc/04/37/93/388043793.db2.gz JJVNBKVXCMNQJM-SRVKXCTJSA-N 1 2 245.363 1.976 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1ccoc1 ZINC000439964497 388027477 /nfs/dbraw/zinc/02/74/77/388027477.db2.gz WPCJEKIIHNPNGX-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000440520797 388051339 /nfs/dbraw/zinc/05/13/39/388051339.db2.gz QGRAVAQYFKTZIT-GARJFASQSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000440520797 388051342 /nfs/dbraw/zinc/05/13/42/388051342.db2.gz QGRAVAQYFKTZIT-GARJFASQSA-N 1 2 219.300 1.206 20 0 BDADLO C[N@H+](Cc1ncnn1CCF)[C@@H]1CC1(C)C ZINC000440531597 388052275 /nfs/dbraw/zinc/05/22/75/388052275.db2.gz JVCACPUFQAPELJ-SECBINFHSA-N 1 2 226.299 1.478 20 0 BDADLO C[N@@H+](Cc1ncnn1CCF)[C@@H]1CC1(C)C ZINC000440531597 388052278 /nfs/dbraw/zinc/05/22/78/388052278.db2.gz JVCACPUFQAPELJ-SECBINFHSA-N 1 2 226.299 1.478 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(N)=O)c(Cl)c1 ZINC000447137655 388054828 /nfs/dbraw/zinc/05/48/28/388054828.db2.gz WPBKALBWGYMXTO-UHFFFAOYSA-N 1 2 226.707 1.566 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(N)=O)c(Cl)c1 ZINC000447137655 388054830 /nfs/dbraw/zinc/05/48/30/388054830.db2.gz WPBKALBWGYMXTO-UHFFFAOYSA-N 1 2 226.707 1.566 20 0 BDADLO CCN1C[C@H]([NH2+][C@@H](C)c2cc(C)on2)CC1=O ZINC000453355310 388056368 /nfs/dbraw/zinc/05/63/68/388056368.db2.gz LDIMLXHCIDPXPT-VHSXEESVSA-N 1 2 237.303 1.254 20 0 BDADLO COC(=O)c1cc(Cn2cc[nH+]c2)c(C)o1 ZINC000533352422 388061108 /nfs/dbraw/zinc/06/11/08/388061108.db2.gz MNDBQNKLRVSRCU-UHFFFAOYSA-N 1 2 220.228 1.619 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000440692664 388067849 /nfs/dbraw/zinc/06/78/49/388067849.db2.gz LKYINVIXLVPBMV-AEJSXWLSSA-N 1 2 239.356 1.488 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000440692664 388067855 /nfs/dbraw/zinc/06/78/55/388067855.db2.gz LKYINVIXLVPBMV-AEJSXWLSSA-N 1 2 239.356 1.488 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000453414146 388078480 /nfs/dbraw/zinc/07/84/80/388078480.db2.gz KCLRKQWDIFEIRT-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000453414146 388078482 /nfs/dbraw/zinc/07/84/82/388078482.db2.gz KCLRKQWDIFEIRT-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000453417808 388079807 /nfs/dbraw/zinc/07/98/07/388079807.db2.gz VIVOQQHFNWASCK-NSHDSACASA-N 1 2 239.319 1.769 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000453417808 388079810 /nfs/dbraw/zinc/07/98/10/388079810.db2.gz VIVOQQHFNWASCK-NSHDSACASA-N 1 2 239.319 1.769 20 0 BDADLO CC/C=C\CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000454345365 388115278 /nfs/dbraw/zinc/11/52/78/388115278.db2.gz WCEWKKLMUCRPGD-DOGVGXBMSA-N 1 2 236.319 1.537 20 0 BDADLO CC(C)c1nc(N2C[C@H](O)C(C)(C)C2)cc[nH+]1 ZINC000447814173 388095061 /nfs/dbraw/zinc/09/50/61/388095061.db2.gz YXZOZEQKJATMIK-JTQLQIEISA-N 1 2 235.331 1.807 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447828862 388095264 /nfs/dbraw/zinc/09/52/64/388095264.db2.gz FEWHSCDCKRYGPU-ZJUUUORDSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447828862 388095267 /nfs/dbraw/zinc/09/52/67/388095267.db2.gz FEWHSCDCKRYGPU-ZJUUUORDSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCCCCO)[nH+]1 ZINC000447817135 388095569 /nfs/dbraw/zinc/09/55/69/388095569.db2.gz MPAUPSUVGDPWHX-UHFFFAOYSA-N 1 2 234.303 1.792 20 0 BDADLO O=C1C[N@H+](CC2CCCCC2)CN1C1CC1 ZINC000447915471 388101899 /nfs/dbraw/zinc/10/18/99/388101899.db2.gz MXCWCLRNHCYING-UHFFFAOYSA-N 1 2 222.332 1.831 20 0 BDADLO O=C1C[N@@H+](CC2CCCCC2)CN1C1CC1 ZINC000447915471 388101900 /nfs/dbraw/zinc/10/19/00/388101900.db2.gz MXCWCLRNHCYING-UHFFFAOYSA-N 1 2 222.332 1.831 20 0 BDADLO CCONC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000086437268 388102846 /nfs/dbraw/zinc/10/28/46/388102846.db2.gz GFZDJCHVPUUALZ-UHFFFAOYSA-N 1 2 248.326 1.376 20 0 BDADLO CC[C@H](NC(=O)C[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000333416743 388102878 /nfs/dbraw/zinc/10/28/78/388102878.db2.gz FFIVCJOOXINMQW-ZJUUUORDSA-N 1 2 237.303 1.404 20 0 BDADLO Cc1cnc([C@H](C)[NH2+][C@H](CO)[C@@H]2CCCO2)o1 ZINC000447919319 388104025 /nfs/dbraw/zinc/10/40/25/388104025.db2.gz DSGJFZIPYYQOIC-AXFHLTTASA-N 1 2 240.303 1.174 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cc(F)c[nH]2)c1 ZINC000645975879 388112112 /nfs/dbraw/zinc/11/21/12/388112112.db2.gz KMFDLOYYZUZQKJ-UHFFFAOYSA-N 1 2 248.261 1.867 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000440496180 388045002 /nfs/dbraw/zinc/04/50/02/388045002.db2.gz NSAUCERZOABRTP-PKFCDNJMSA-N 1 2 221.341 1.435 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000440496180 388045004 /nfs/dbraw/zinc/04/50/04/388045004.db2.gz NSAUCERZOABRTP-PKFCDNJMSA-N 1 2 221.341 1.435 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000440504352 388047502 /nfs/dbraw/zinc/04/75/02/388047502.db2.gz WNFJIEACSOGYMD-SNVBAGLBSA-N 1 2 223.324 1.078 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000440504352 388047507 /nfs/dbraw/zinc/04/75/07/388047507.db2.gz WNFJIEACSOGYMD-SNVBAGLBSA-N 1 2 223.324 1.078 20 0 BDADLO CC[C@H](F)CN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000440519954 388050769 /nfs/dbraw/zinc/05/07/69/388050769.db2.gz KWZYBQRLYZJRDA-LBPRGKRZSA-N 1 2 246.370 1.777 20 0 BDADLO CC[C@H](F)CN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000440519954 388050772 /nfs/dbraw/zinc/05/07/72/388050772.db2.gz KWZYBQRLYZJRDA-LBPRGKRZSA-N 1 2 246.370 1.777 20 0 BDADLO CCc1nocc1CN1CCn2cc(C)[nH+]c2C1 ZINC000646156333 388157771 /nfs/dbraw/zinc/15/77/71/388157771.db2.gz MAIPBPXMUMPSHY-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO COc1nccnc1C[NH2+]C(C)(C)CF ZINC000449247579 388161755 /nfs/dbraw/zinc/16/17/55/388161755.db2.gz GQIZUTPZGXNHSX-UHFFFAOYSA-N 1 2 213.256 1.323 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C(=O)OC ZINC000449275657 388165461 /nfs/dbraw/zinc/16/54/61/388165461.db2.gz NWHBQLVQWPYHCF-UWVGGRQHSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H]1C[N@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000646255970 388171100 /nfs/dbraw/zinc/17/11/00/388171100.db2.gz JDHRHIIZPCAPDU-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000646255970 388171101 /nfs/dbraw/zinc/17/11/01/388171101.db2.gz JDHRHIIZPCAPDU-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@H+](Cc2n[nH]c3ccccc32)CCO1 ZINC000646255970 388171102 /nfs/dbraw/zinc/17/11/02/388171102.db2.gz JDHRHIIZPCAPDU-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@@H+](Cc2n[nH]c3ccccc32)CCO1 ZINC000646255970 388171103 /nfs/dbraw/zinc/17/11/03/388171103.db2.gz JDHRHIIZPCAPDU-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO COC1(CC(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000646259332 388171550 /nfs/dbraw/zinc/17/15/50/388171550.db2.gz WWPLHQHVBLPPSN-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO COC1(CC(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000646259332 388171553 /nfs/dbraw/zinc/17/15/53/388171553.db2.gz WWPLHQHVBLPPSN-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO CC[C@@H](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258469 388171606 /nfs/dbraw/zinc/17/16/06/388171606.db2.gz YPORMOJLXFGGGY-SECBINFHSA-N 1 2 221.304 1.731 20 0 BDADLO CC[C@@H](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258469 388171610 /nfs/dbraw/zinc/17/16/10/388171610.db2.gz YPORMOJLXFGGGY-SECBINFHSA-N 1 2 221.304 1.731 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCc3[nH]c[nH+]c3C2)o1 ZINC000646261936 388172852 /nfs/dbraw/zinc/17/28/52/388172852.db2.gz SAMRKLNWJAXNIW-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000646261936 388172853 /nfs/dbraw/zinc/17/28/53/388172853.db2.gz SAMRKLNWJAXNIW-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO CC[C@H]([NH2+]Cc1cnc(C)nc1)C(F)F ZINC000449357273 388180874 /nfs/dbraw/zinc/18/08/74/388180874.db2.gz CDFNBHJDKOHYEQ-VIFPVBQESA-N 1 2 215.247 1.918 20 0 BDADLO C[C@H]1C[C@H]1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000488508174 388183320 /nfs/dbraw/zinc/18/33/20/388183320.db2.gz ACVBCYCJFFSSOJ-RYUDHWBXSA-N 1 2 247.342 1.986 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1C[C@@H]1C ZINC000454453460 388118886 /nfs/dbraw/zinc/11/88/86/388118886.db2.gz ZEPRJSBQLMMITL-GUBZILKMSA-N 1 2 236.319 1.672 20 0 BDADLO CC/C=C\CNC(=O)NCc1[nH+]ccn1C ZINC000454532582 388121544 /nfs/dbraw/zinc/12/15/44/388121544.db2.gz VFQGJZWJZQGKJV-PLNGDYQASA-N 1 2 222.292 1.186 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)nnn2CC)CCO1 ZINC000449009702 388128198 /nfs/dbraw/zinc/12/81/98/388128198.db2.gz PITNWEVPZVBHGK-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)nnn2CC)CCO1 ZINC000449009702 388128200 /nfs/dbraw/zinc/12/82/00/388128200.db2.gz PITNWEVPZVBHGK-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO C[C@@H]([NH2+]Cc1ccoc1)c1nccn1C ZINC000162229582 388129617 /nfs/dbraw/zinc/12/96/17/388129617.db2.gz YRQTYTDUAXQXNM-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO Cc1nocc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000646049199 388132800 /nfs/dbraw/zinc/13/28/00/388132800.db2.gz QTWRPQUKIRZBKZ-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1nocc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000646049199 388132803 /nfs/dbraw/zinc/13/28/03/388132803.db2.gz QTWRPQUKIRZBKZ-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCc1nocc1C[N@H+](CC)CC(=O)N(C)C ZINC000646053777 388133537 /nfs/dbraw/zinc/13/35/37/388133537.db2.gz QVYZXVQNGYKOSY-UHFFFAOYSA-N 1 2 239.319 1.147 20 0 BDADLO CCc1nocc1C[N@@H+](CC)CC(=O)N(C)C ZINC000646053777 388133539 /nfs/dbraw/zinc/13/35/39/388133539.db2.gz QVYZXVQNGYKOSY-UHFFFAOYSA-N 1 2 239.319 1.147 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2ccc[nH]2)n1 ZINC000449035192 388134561 /nfs/dbraw/zinc/13/45/61/388134561.db2.gz GDPZLTIHVJDMCG-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2ccc[nH]2)n1 ZINC000449035192 388134564 /nfs/dbraw/zinc/13/45/64/388134564.db2.gz GDPZLTIHVJDMCG-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cn1ncc2c1nc(NCc1ccoc1)[nH+]c2N ZINC000195212630 388144920 /nfs/dbraw/zinc/14/49/20/388144920.db2.gz AIZNTFBMBRQJDP-UHFFFAOYSA-N 1 2 244.258 1.151 20 0 BDADLO CCN(C)c1ccc(C[NH2+]C(CF)CF)cn1 ZINC000449377642 388187148 /nfs/dbraw/zinc/18/71/48/388187148.db2.gz BBJIPPWJPGVLSO-UHFFFAOYSA-N 1 2 243.301 1.935 20 0 BDADLO CC/C=C/CNC(=O)NCc1[nH+]ccn1CC ZINC000455292386 388154781 /nfs/dbraw/zinc/15/47/81/388154781.db2.gz JSXKIBPITIPVOI-AATRIKPKSA-N 1 2 236.319 1.668 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cnccn1 ZINC000166665470 388254841 /nfs/dbraw/zinc/25/48/41/388254841.db2.gz OZRCSXAHOAIGKH-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CC[C@@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000336662844 388260901 /nfs/dbraw/zinc/26/09/01/388260901.db2.gz CNGTUUFLQDYLSW-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO COCCn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000449384297 388189567 /nfs/dbraw/zinc/18/95/67/388189567.db2.gz AVBNOWITKFYQHA-NSHDSACASA-N 1 2 227.283 1.073 20 0 BDADLO COCCn1cc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000449384297 388189568 /nfs/dbraw/zinc/18/95/68/388189568.db2.gz AVBNOWITKFYQHA-NSHDSACASA-N 1 2 227.283 1.073 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccncn1 ZINC000488689961 388191523 /nfs/dbraw/zinc/19/15/23/388191523.db2.gz CMLQOVPRYYTOEC-UHFFFAOYSA-N 1 2 230.227 1.133 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H]2C(C)C)c[nH+]1 ZINC000456290033 388192487 /nfs/dbraw/zinc/19/24/87/388192487.db2.gz AVGINDKCHANQOB-UWVGGRQHSA-N 1 2 221.304 1.740 20 0 BDADLO Cc1nnsc1CNc1cc[nH+]c(C(C)C)n1 ZINC000488720793 388193283 /nfs/dbraw/zinc/19/32/83/388193283.db2.gz LBNHVJMQRPWJGG-UHFFFAOYSA-N 1 2 249.343 1.794 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C)COC1 ZINC000456348127 388197020 /nfs/dbraw/zinc/19/70/20/388197020.db2.gz IJSMTNCSAWSPNZ-VIFPVBQESA-N 1 2 237.303 1.117 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)C(C)(F)F)n1C ZINC000449414148 388199001 /nfs/dbraw/zinc/19/90/01/388199001.db2.gz LHSBUVHQOSDZNT-QMMMGPOBSA-N 1 2 217.263 1.862 20 0 BDADLO CC[N@H+](Cc1cn(C)nc1C(F)F)C1COC1 ZINC000449423613 388201682 /nfs/dbraw/zinc/20/16/82/388201682.db2.gz HXPPUIBKCNXMBM-UHFFFAOYSA-N 1 2 245.273 1.578 20 0 BDADLO CC[N@@H+](Cc1cn(C)nc1C(F)F)C1COC1 ZINC000449423613 388201685 /nfs/dbraw/zinc/20/16/85/388201685.db2.gz HXPPUIBKCNXMBM-UHFFFAOYSA-N 1 2 245.273 1.578 20 0 BDADLO COCCc1noc(C[N@H+](C)[C@@H]2CC2(C)C)n1 ZINC000489432484 388213189 /nfs/dbraw/zinc/21/31/89/388213189.db2.gz UVRSIILUESNCMQ-SECBINFHSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1noc(C[N@@H+](C)[C@@H]2CC2(C)C)n1 ZINC000489432484 388213191 /nfs/dbraw/zinc/21/31/91/388213191.db2.gz UVRSIILUESNCMQ-SECBINFHSA-N 1 2 239.319 1.489 20 0 BDADLO Cn1c(C[N@H+](C)[C@H]2CC2(C)C)nnc1C1CC1 ZINC000489449674 388214461 /nfs/dbraw/zinc/21/44/61/388214461.db2.gz UXEXIIIYNUWJMI-JTQLQIEISA-N 1 2 234.347 1.923 20 0 BDADLO Cn1c(C[N@@H+](C)[C@H]2CC2(C)C)nnc1C1CC1 ZINC000489449674 388214464 /nfs/dbraw/zinc/21/44/64/388214464.db2.gz UXEXIIIYNUWJMI-JTQLQIEISA-N 1 2 234.347 1.923 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CC2(C)C)o1 ZINC000489445572 388215245 /nfs/dbraw/zinc/21/52/45/388215245.db2.gz MDBYWTIAGXVKFG-QMMMGPOBSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CC2(C)C)o1 ZINC000489445572 388215248 /nfs/dbraw/zinc/21/52/48/388215248.db2.gz MDBYWTIAGXVKFG-QMMMGPOBSA-N 1 2 209.293 1.862 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489455747 388216030 /nfs/dbraw/zinc/21/60/30/388216030.db2.gz NIBPSGRMDIYGEP-VIFPVBQESA-N 1 2 208.309 1.528 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489455747 388216032 /nfs/dbraw/zinc/21/60/32/388216032.db2.gz NIBPSGRMDIYGEP-VIFPVBQESA-N 1 2 208.309 1.528 20 0 BDADLO CCCCN(CC)c1nc(C)[nH+]c(N(C)C)n1 ZINC000489499758 388218668 /nfs/dbraw/zinc/21/86/68/388218668.db2.gz QUWLFDGQYXQOFZ-UHFFFAOYSA-N 1 2 237.351 1.872 20 0 BDADLO CCCCN(CC)c1nc(N(C)C)nc(C)[nH+]1 ZINC000489499758 388218669 /nfs/dbraw/zinc/21/86/69/388218669.db2.gz QUWLFDGQYXQOFZ-UHFFFAOYSA-N 1 2 237.351 1.872 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](O)[C@H](C)C2)[nH+]1 ZINC000489891242 388227360 /nfs/dbraw/zinc/22/73/60/388227360.db2.gz FJUMFFAQKKENRZ-KCJUWKMLSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H](O)C2(C)C)[nH+]1 ZINC000489903319 388228476 /nfs/dbraw/zinc/22/84/76/388228476.db2.gz YIUOHWAQEQLSQA-VHSXEESVSA-N 1 2 246.314 1.838 20 0 BDADLO COCC[N@H+](Cc1cc(C)on1)[C@H]1CCOC1 ZINC000490048671 388232398 /nfs/dbraw/zinc/23/23/98/388232398.db2.gz LWYZNAVLRFRIGS-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[N@@H+](Cc1cc(C)on1)[C@H]1CCOC1 ZINC000490048671 388232399 /nfs/dbraw/zinc/23/23/99/388232399.db2.gz LWYZNAVLRFRIGS-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO Cc1nc(N2CCC3(CCC3)C2)nc(N(C)C)[nH+]1 ZINC000490068033 388233820 /nfs/dbraw/zinc/23/38/20/388233820.db2.gz ASJJYJAKFYXLCW-UHFFFAOYSA-N 1 2 247.346 1.626 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC3(CCC3)C2)[nH+]1 ZINC000490068033 388233821 /nfs/dbraw/zinc/23/38/21/388233821.db2.gz ASJJYJAKFYXLCW-UHFFFAOYSA-N 1 2 247.346 1.626 20 0 BDADLO CCOC(=O)C[N@@H+]1CCOCC12CCCCC2 ZINC000449623176 388244210 /nfs/dbraw/zinc/24/42/10/388244210.db2.gz HRPISTFFTLICEH-UHFFFAOYSA-N 1 2 241.331 1.585 20 0 BDADLO CCOC(=O)C[N@H+]1CCOCC12CCCCC2 ZINC000449623176 388244212 /nfs/dbraw/zinc/24/42/12/388244212.db2.gz HRPISTFFTLICEH-UHFFFAOYSA-N 1 2 241.331 1.585 20 0 BDADLO CCSCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000449629610 388245962 /nfs/dbraw/zinc/24/59/62/388245962.db2.gz KZSTWGQNMNLIEM-MRVPVSSYSA-N 1 2 227.320 1.687 20 0 BDADLO CCSCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000449629610 388245964 /nfs/dbraw/zinc/24/59/64/388245964.db2.gz KZSTWGQNMNLIEM-MRVPVSSYSA-N 1 2 227.320 1.687 20 0 BDADLO CC(C)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000449630636 388246318 /nfs/dbraw/zinc/24/63/18/388246318.db2.gz NLZCNYUPCDSLHW-SECBINFHSA-N 1 2 209.280 1.980 20 0 BDADLO CC(C)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000449630636 388246319 /nfs/dbraw/zinc/24/63/19/388246319.db2.gz NLZCNYUPCDSLHW-SECBINFHSA-N 1 2 209.280 1.980 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000449632246 388246531 /nfs/dbraw/zinc/24/65/31/388246531.db2.gz QTSXZQCDDPXJDT-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1CCCOC1 ZINC000449632246 388246534 /nfs/dbraw/zinc/24/65/34/388246534.db2.gz QTSXZQCDDPXJDT-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO CSCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451825614 388298993 /nfs/dbraw/zinc/29/89/93/388298993.db2.gz BNVAWKRZCYRKTL-MRVPVSSYSA-N 1 2 227.320 1.687 20 0 BDADLO CSCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451825614 388298994 /nfs/dbraw/zinc/29/89/94/388298994.db2.gz BNVAWKRZCYRKTL-MRVPVSSYSA-N 1 2 227.320 1.687 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000451836134 388299893 /nfs/dbraw/zinc/29/98/93/388299893.db2.gz PETKHORQGPBMDS-VIFPVBQESA-N 1 2 249.301 1.694 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000451836134 388299896 /nfs/dbraw/zinc/29/98/96/388299896.db2.gz PETKHORQGPBMDS-VIFPVBQESA-N 1 2 249.301 1.694 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000451850749 388301301 /nfs/dbraw/zinc/30/13/01/388301301.db2.gz XVICFNYGIPHGNN-NWDGAFQWSA-N 1 2 246.420 1.126 20 0 BDADLO O=C(/C=C\C1CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000492048283 388332892 /nfs/dbraw/zinc/33/28/92/388332892.db2.gz MNCBEANIKPNJIO-CFHLNLSMSA-N 1 2 245.326 1.840 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000451381496 388267641 /nfs/dbraw/zinc/26/76/41/388267641.db2.gz USPGVPWTXNZITE-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451381496 388267642 /nfs/dbraw/zinc/26/76/42/388267642.db2.gz USPGVPWTXNZITE-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO C[C@H]([NH2+][C@H]1C=CCCC1)c1ncn(C)n1 ZINC000275494929 388344952 /nfs/dbraw/zinc/34/49/52/388344952.db2.gz GIRNMOBGFKXJQR-UWVGGRQHSA-N 1 2 206.293 1.574 20 0 BDADLO CC[C@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000234042946 388352783 /nfs/dbraw/zinc/35/27/83/388352783.db2.gz YHMLOMAWHVNOTC-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO CC[C@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000234042946 388352785 /nfs/dbraw/zinc/35/27/85/388352785.db2.gz YHMLOMAWHVNOTC-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO C[C@@]1([NH2+]CCc2ccccc2)CCOC1=O ZINC000289584232 388362280 /nfs/dbraw/zinc/36/22/80/388362280.db2.gz PIPDLLPQRBJBLJ-CYBMUJFWSA-N 1 2 219.284 1.524 20 0 BDADLO C[C@@H](CC(=O)NC1CC(C)(F)C1)n1cc[nH+]c1 ZINC000572653352 388363459 /nfs/dbraw/zinc/36/34/59/388363459.db2.gz JHTAXFVPVMVJGQ-BMQDGWLCSA-N 1 2 239.294 1.841 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000572779447 388375293 /nfs/dbraw/zinc/37/52/93/388375293.db2.gz LLXXNHXMKPSZMJ-KPXOXKRLSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000572779447 388375297 /nfs/dbraw/zinc/37/52/97/388375297.db2.gz LLXXNHXMKPSZMJ-KPXOXKRLSA-N 1 2 233.315 1.503 20 0 BDADLO Nc1[nH+]cnc(NCc2nccs2)c1Cl ZINC000236393281 388379214 /nfs/dbraw/zinc/37/92/14/388379214.db2.gz BKBIOAMRMQNFEW-UHFFFAOYSA-N 1 2 241.707 1.781 20 0 BDADLO Nc1nc[nH+]c(NCc2nccs2)c1Cl ZINC000236393281 388379216 /nfs/dbraw/zinc/37/92/16/388379216.db2.gz BKBIOAMRMQNFEW-UHFFFAOYSA-N 1 2 241.707 1.781 20 0 BDADLO COc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000237225917 388392267 /nfs/dbraw/zinc/39/22/67/388392267.db2.gz VZGMDJADKYIHHQ-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO O=C(/C=C\C1CCC1)N1CCn2cc[nH+]c2C1 ZINC000492068274 388333449 /nfs/dbraw/zinc/33/34/49/388333449.db2.gz OGGCQLRSXHSVKJ-PLNGDYQASA-N 1 2 231.299 1.582 20 0 BDADLO O=C(/C=C/C1CCC1)N1CCn2cc[nH+]c2C1 ZINC000492068275 388333571 /nfs/dbraw/zinc/33/35/71/388333571.db2.gz OGGCQLRSXHSVKJ-SNAWJCMRSA-N 1 2 231.299 1.582 20 0 BDADLO C/C=C(/C=C\C(=O)NCc1[nH]cc[nH+]1)CC ZINC000492167454 388337066 /nfs/dbraw/zinc/33/70/66/388337066.db2.gz GXRQFTRACZEJAF-VMTDUWPYSA-N 1 2 219.288 1.938 20 0 BDADLO C/C=C/C=C\C(=O)N(C)CCCn1cc[nH+]c1 ZINC000492215214 388338475 /nfs/dbraw/zinc/33/84/75/388338475.db2.gz RQVGMACOXQFJPM-BZDQXIRASA-N 1 2 233.315 1.864 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OCC ZINC000310020691 388473721 /nfs/dbraw/zinc/47/37/21/388473721.db2.gz NECNJAVYPNBPEN-OUAUKWLOSA-N 1 2 231.336 1.731 20 0 BDADLO Cc1cnc(C[N@H+](C)CCN2CCCC2=O)o1 ZINC000525272372 388423621 /nfs/dbraw/zinc/42/36/21/388423621.db2.gz XPBHRYRIMRLZAV-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCN2CCCC2=O)o1 ZINC000525272372 388423623 /nfs/dbraw/zinc/42/36/23/388423623.db2.gz XPBHRYRIMRLZAV-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000573222406 388433849 /nfs/dbraw/zinc/43/38/49/388433849.db2.gz NFBOLKPCFSPZAR-FOGDFJRCSA-N 1 2 249.314 1.080 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@@H](C)CO ZINC000167222774 388437573 /nfs/dbraw/zinc/43/75/73/388437573.db2.gz IOKBVOYAWXGJGQ-IUCAKERBSA-N 1 2 210.277 1.519 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1C/C=C(/C)Cl ZINC000528509379 388538727 /nfs/dbraw/zinc/53/87/27/388538727.db2.gz SARPCBYASWBWSA-CGXZDELUSA-N 1 2 233.739 1.866 20 0 BDADLO COCC[C@H]1COCC[N@H+]1C/C=C(/C)Cl ZINC000528509379 388538728 /nfs/dbraw/zinc/53/87/28/388538728.db2.gz SARPCBYASWBWSA-CGXZDELUSA-N 1 2 233.739 1.866 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)[nH]c1=O ZINC000353191999 388540946 /nfs/dbraw/zinc/54/09/46/388540946.db2.gz RGWBMENJUVZDRT-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO COC(=O)[C@@H]1CCN(c2nc(C)[nH+]cc2C)[C@@H]1C ZINC000520839763 388543755 /nfs/dbraw/zinc/54/37/55/388543755.db2.gz RJPWCLGQCPTRMJ-MWLCHTKSSA-N 1 2 249.314 1.481 20 0 BDADLO NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079701913 388544589 /nfs/dbraw/zinc/54/45/89/388544589.db2.gz MDGDVMTXJSFLGG-UHFFFAOYSA-N 1 2 235.287 1.009 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000548519573 388545858 /nfs/dbraw/zinc/54/58/58/388545858.db2.gz WEECHIFWTLSHPY-WCQYABFASA-N 1 2 247.342 1.754 20 0 BDADLO CC[C@@H](O)CCCNc1nc(C)[nH+]cc1C ZINC000517246191 388546193 /nfs/dbraw/zinc/54/61/93/388546193.db2.gz NMIGRJMFYACJHU-LLVKDONJSA-N 1 2 223.320 1.478 20 0 BDADLO CCCC[C@H]([NH2+]CC1(C)COC1)C(=O)OC ZINC000135219234 388485254 /nfs/dbraw/zinc/48/52/54/388485254.db2.gz JQROEANOIPHHTN-JTQLQIEISA-N 1 2 229.320 1.344 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000648901865 388486813 /nfs/dbraw/zinc/48/68/13/388486813.db2.gz FLVDQCVAQXLATG-GXFFZTMASA-N 1 2 248.330 1.250 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)C1CC1 ZINC000356707476 388550778 /nfs/dbraw/zinc/55/07/78/388550778.db2.gz YFLJEQCWJNVXKG-YUSALJHKSA-N 1 2 241.331 1.485 20 0 BDADLO CCCC[C@@H]([NH2+]CC1=CCOCC1)C(=O)OC ZINC000397777690 388497815 /nfs/dbraw/zinc/49/78/15/388497815.db2.gz NIRHJXHTAJQHTK-GFCCVEGCSA-N 1 2 241.331 1.655 20 0 BDADLO CC[C@]1(C)C[N@H+](CC(=O)NCC(C)C)CCO1 ZINC000135599337 388502581 /nfs/dbraw/zinc/50/25/81/388502581.db2.gz OTCOUNFGYAPDNE-CYBMUJFWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@]1(C)C[N@@H+](CC(=O)NCC(C)C)CCO1 ZINC000135599337 388502584 /nfs/dbraw/zinc/50/25/84/388502584.db2.gz OTCOUNFGYAPDNE-CYBMUJFWSA-N 1 2 242.363 1.260 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135606418 388503058 /nfs/dbraw/zinc/50/30/58/388503058.db2.gz CIEMEFMBTURULW-CMPLNLGQSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000135606418 388503059 /nfs/dbraw/zinc/50/30/59/388503059.db2.gz CIEMEFMBTURULW-CMPLNLGQSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@]1(C)C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000135635334 388504004 /nfs/dbraw/zinc/50/40/04/388504004.db2.gz ZGKHBLGQJCTLHZ-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@]1(C)C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000135635334 388504006 /nfs/dbraw/zinc/50/40/06/388504006.db2.gz ZGKHBLGQJCTLHZ-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1F ZINC000516888848 388506771 /nfs/dbraw/zinc/50/67/71/388506771.db2.gz JSYVAWACOVFDKD-VHSXEESVSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1F ZINC000516888848 388506772 /nfs/dbraw/zinc/50/67/72/388506772.db2.gz JSYVAWACOVFDKD-VHSXEESVSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H](O)C1CCC1 ZINC000648937662 388509820 /nfs/dbraw/zinc/50/98/20/388509820.db2.gz RSRFOONXDDENLV-GFCCVEGCSA-N 1 2 245.282 1.434 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000345830905 388516711 /nfs/dbraw/zinc/51/67/11/388516711.db2.gz JWLZVWKIODTSOD-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000345830905 388516714 /nfs/dbraw/zinc/51/67/14/388516714.db2.gz JWLZVWKIODTSOD-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCn2nc(C)nc2C1 ZINC000528399057 388519131 /nfs/dbraw/zinc/51/91/31/388519131.db2.gz RCHHTVUMVGWDEY-BAQGIRSFSA-N 1 2 226.711 1.545 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCn2nc(C)nc2C1 ZINC000528399057 388519134 /nfs/dbraw/zinc/51/91/34/388519134.db2.gz RCHHTVUMVGWDEY-BAQGIRSFSA-N 1 2 226.711 1.545 20 0 BDADLO c1nnc([C@H]([NH2+][C@@H]2CCOC2)c2ccccc2)[nH]1 ZINC000548176326 388519606 /nfs/dbraw/zinc/51/96/06/388519606.db2.gz XXXSLPKIHCZHSP-VXGBXAGGSA-N 1 2 244.298 1.273 20 0 BDADLO Cc1cocc1C(=O)NCc1[nH+]ccn1C ZINC000528410909 388520822 /nfs/dbraw/zinc/52/08/22/388520822.db2.gz IMTQQTANUBZXJO-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CCCCc1noc(C[N@H+](C)CCCCO)n1 ZINC000349933336 388529436 /nfs/dbraw/zinc/52/94/36/388529436.db2.gz ICIRQFRSKOJKDT-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CCCCO)n1 ZINC000349933336 388529439 /nfs/dbraw/zinc/52/94/39/388529439.db2.gz ICIRQFRSKOJKDT-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCc1onc(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC000548387272 388532061 /nfs/dbraw/zinc/53/20/61/388532061.db2.gz FUBQUBOWHGXWFB-UHFFFAOYSA-N 1 2 248.286 1.840 20 0 BDADLO FC1(F)CC[NH+](Cc2cnns2)CC1 ZINC000528489848 388534077 /nfs/dbraw/zinc/53/40/77/388534077.db2.gz UEEJFBLBIPDIKD-UHFFFAOYSA-N 1 2 219.260 1.769 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000528495212 388535243 /nfs/dbraw/zinc/53/52/43/388535243.db2.gz SOJAYORCTXQMLM-KJQCOJPZSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCOC[C@@]12CCOC2 ZINC000528495212 388535245 /nfs/dbraw/zinc/53/52/45/388535245.db2.gz SOJAYORCTXQMLM-KJQCOJPZSA-N 1 2 231.723 1.620 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424607 388536769 /nfs/dbraw/zinc/53/67/69/388536769.db2.gz AYEPPCOIYMYSFC-RNJXMRFFSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424607 388536772 /nfs/dbraw/zinc/53/67/72/388536772.db2.gz AYEPPCOIYMYSFC-RNJXMRFFSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(F)cn1 ZINC000352597283 388537069 /nfs/dbraw/zinc/53/70/69/388537069.db2.gz HYYOKWQJEIPROU-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000529855694 388592417 /nfs/dbraw/zinc/59/24/17/388592417.db2.gz GJFKRDXLYFFUBD-SKDRFNHKSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1CCCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000185856252 388592860 /nfs/dbraw/zinc/59/28/60/388592860.db2.gz NBOSSYDVUXYNNZ-SNVBAGLBSA-N 1 2 245.330 1.990 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2nncn2C)CCCO1 ZINC000550186939 388601559 /nfs/dbraw/zinc/60/15/59/388601559.db2.gz SSMMMNAFYCJMFM-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2nncn2C)CCCO1 ZINC000550186939 388601563 /nfs/dbraw/zinc/60/15/63/388601563.db2.gz SSMMMNAFYCJMFM-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)o1 ZINC000187447961 388608524 /nfs/dbraw/zinc/60/85/24/388608524.db2.gz OZMACLXOKZITPQ-PSASIEDQSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)o1 ZINC000187447961 388608525 /nfs/dbraw/zinc/60/85/25/388608525.db2.gz OZMACLXOKZITPQ-PSASIEDQSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1noc(C23CC(C2)C[N@@H+]3[C@H]2CCOC2)n1 ZINC000528616151 388552802 /nfs/dbraw/zinc/55/28/02/388552802.db2.gz KFIJXOBPMVOHQV-YZRBJQDESA-N 1 2 235.287 1.088 20 0 BDADLO Cc1noc(C23CC(C2)C[N@H+]3[C@H]2CCOC2)n1 ZINC000528616151 388552803 /nfs/dbraw/zinc/55/28/03/388552803.db2.gz KFIJXOBPMVOHQV-YZRBJQDESA-N 1 2 235.287 1.088 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)C[C@@H]2F)c(C)c[nH+]1 ZINC000517556489 388553394 /nfs/dbraw/zinc/55/33/94/388553394.db2.gz NWXBWZZZJOTDDV-JQWIXIFHSA-N 1 2 222.263 1.807 20 0 BDADLO COC[C@H](NCc1[nH]cc[nH+]1)c1ccc(C)o1 ZINC000080237572 388555658 /nfs/dbraw/zinc/55/56/58/388555658.db2.gz DKKGHCYODMUASR-JTQLQIEISA-N 1 2 235.287 1.788 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC=CCC1)c1c[nH]c[nH+]1 ZINC000548747340 388556441 /nfs/dbraw/zinc/55/64/41/388556441.db2.gz XZBDKQXWWJSHRJ-SNVBAGLBSA-N 1 2 233.315 1.912 20 0 BDADLO Cn1nnc(C[NH2+]C/C=C/c2ccccc2)n1 ZINC000362964968 388561973 /nfs/dbraw/zinc/56/19/73/388561973.db2.gz YLGHAEMCSCXRRR-VMPITWQZSA-N 1 2 229.287 1.013 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000549409132 388578904 /nfs/dbraw/zinc/57/89/04/388578904.db2.gz KZOFZRFCAFPNMN-SVRRBLITSA-N 1 2 247.245 1.753 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000549409132 388578907 /nfs/dbraw/zinc/57/89/07/388578907.db2.gz KZOFZRFCAFPNMN-SVRRBLITSA-N 1 2 247.245 1.753 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000549416594 388580067 /nfs/dbraw/zinc/58/00/67/388580067.db2.gz YTXSAPQIQRPFQM-ZETCQYMHSA-N 1 2 233.218 1.192 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000549416594 388580068 /nfs/dbraw/zinc/58/00/68/388580068.db2.gz YTXSAPQIQRPFQM-ZETCQYMHSA-N 1 2 233.218 1.192 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccncc2Cl)n1 ZINC000124748971 388665473 /nfs/dbraw/zinc/66/54/73/388665473.db2.gz OUYCJYYWUNQLIY-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cncs1 ZINC000552134658 388671976 /nfs/dbraw/zinc/67/19/76/388671976.db2.gz HIABDJHAWPBNDS-SNVBAGLBSA-N 1 2 225.361 1.669 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1cncs1 ZINC000552134658 388671977 /nfs/dbraw/zinc/67/19/77/388671977.db2.gz HIABDJHAWPBNDS-SNVBAGLBSA-N 1 2 225.361 1.669 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1ccon1 ZINC000522040548 388675788 /nfs/dbraw/zinc/67/57/88/388675788.db2.gz GLIIYCLBQDINHF-UHFFFAOYSA-N 1 2 234.259 1.081 20 0 BDADLO CNC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000192193392 388676450 /nfs/dbraw/zinc/67/64/50/388676450.db2.gz ROLVQQADWYKDHM-UHFFFAOYSA-N 1 2 230.267 1.668 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2nccn2C)on1 ZINC000538218052 388681002 /nfs/dbraw/zinc/68/10/02/388681002.db2.gz OXIYGMWXFKUTMI-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO CCc1cc(CN[C@@H](C)c2[nH+]ccn2C)on1 ZINC000538218052 388681004 /nfs/dbraw/zinc/68/10/04/388681004.db2.gz OXIYGMWXFKUTMI-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO COC(=O)c1csc(C[NH+]2CCCC2)n1 ZINC000328392758 388643129 /nfs/dbraw/zinc/64/31/29/388643129.db2.gz YIKPOPKGAYQVEI-UHFFFAOYSA-N 1 2 226.301 1.526 20 0 BDADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)C(C)(F)F ZINC000551849803 388643290 /nfs/dbraw/zinc/64/32/90/388643290.db2.gz SWAYAXFHCYRPKN-QMMMGPOBSA-N 1 2 245.273 1.370 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1nccs1 ZINC000620409532 388646566 /nfs/dbraw/zinc/64/65/66/388646566.db2.gz ULSPVBPYMUBOAB-UHFFFAOYSA-N 1 2 236.300 1.759 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190113718 388646978 /nfs/dbraw/zinc/64/69/78/388646978.db2.gz QUMDCUFKYWOFNV-GRYCIOLGSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190113718 388646982 /nfs/dbraw/zinc/64/69/82/388646982.db2.gz QUMDCUFKYWOFNV-GRYCIOLGSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncs2)[C@H](C(N)=O)C1 ZINC000190159725 388647033 /nfs/dbraw/zinc/64/70/33/388647033.db2.gz RNTCBDTYBBPKFC-SCZZXKLOSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncs2)[C@H](C(N)=O)C1 ZINC000190159725 388647037 /nfs/dbraw/zinc/64/70/37/388647037.db2.gz RNTCBDTYBBPKFC-SCZZXKLOSA-N 1 2 239.344 1.229 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2[nH+]ccn2C)n1 ZINC000551984032 388651341 /nfs/dbraw/zinc/65/13/41/388651341.db2.gz WFRXEYZRBFLVEI-MRVPVSSYSA-N 1 2 235.291 1.305 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2[nH+]ccn2C)n1 ZINC000551984033 388651876 /nfs/dbraw/zinc/65/18/76/388651876.db2.gz WFRXEYZRBFLVEI-QMMMGPOBSA-N 1 2 235.291 1.305 20 0 BDADLO Cc1cnc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)s1 ZINC000552876545 388739698 /nfs/dbraw/zinc/73/96/98/388739698.db2.gz WWYFQXUHNGDNEL-SECBINFHSA-N 1 2 239.344 1.730 20 0 BDADLO C[C@H](CC(=O)N1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC000572532987 388742181 /nfs/dbraw/zinc/74/21/81/388742181.db2.gz NAHSTAQAQOMNHN-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000067962931 388749311 /nfs/dbraw/zinc/74/93/11/388749311.db2.gz PQMLMRJHUVGHEH-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000067962931 388749312 /nfs/dbraw/zinc/74/93/12/388749312.db2.gz PQMLMRJHUVGHEH-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CCC1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000553162960 388750622 /nfs/dbraw/zinc/75/06/22/388750622.db2.gz APUZYOPLQCPKBG-UHFFFAOYSA-N 1 2 224.348 1.635 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000128364817 388751665 /nfs/dbraw/zinc/75/16/65/388751665.db2.gz DZANXZUVWUMFAP-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000128364817 388751667 /nfs/dbraw/zinc/75/16/67/388751667.db2.gz DZANXZUVWUMFAP-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000649054331 388754218 /nfs/dbraw/zinc/75/42/18/388754218.db2.gz ZOJYHXLLDYSAHO-SCZZXKLOSA-N 1 2 239.319 1.245 20 0 BDADLO CNc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000141783637 388687555 /nfs/dbraw/zinc/68/75/55/388687555.db2.gz FZDCYJXXSHYTCP-MRVPVSSYSA-N 1 2 245.286 1.337 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCO[C@@H]2C)c(C)c[nH+]1 ZINC000552281037 388689540 /nfs/dbraw/zinc/68/95/40/388689540.db2.gz CMBREKGATUJUMT-MNOVXSKESA-N 1 2 234.299 1.484 20 0 BDADLO CCc1onc(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000192918716 388689631 /nfs/dbraw/zinc/68/96/31/388689631.db2.gz QAQOHNHHRUNNOK-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@](C)(OC)C1(C)C)C(=O)OC ZINC000248712032 388690763 /nfs/dbraw/zinc/69/07/63/388690763.db2.gz CUFABOFNFQRCIC-CWSCBRNRSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066498080 388718603 /nfs/dbraw/zinc/71/86/03/388718603.db2.gz WVELCRUWFRYKQR-VIFPVBQESA-N 1 2 234.303 1.253 20 0 BDADLO CC[C@H](C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066498080 388718607 /nfs/dbraw/zinc/71/86/07/388718607.db2.gz WVELCRUWFRYKQR-VIFPVBQESA-N 1 2 234.303 1.253 20 0 BDADLO CC[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249495596 388724371 /nfs/dbraw/zinc/72/43/71/388724371.db2.gz WAIHDTRKPQWLNB-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249495596 388724373 /nfs/dbraw/zinc/72/43/73/388724373.db2.gz WAIHDTRKPQWLNB-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccnc2ccccc12 ZINC000092350214 388800805 /nfs/dbraw/zinc/80/08/05/388800805.db2.gz MUANRWRPDSBKDY-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000092350214 388800809 /nfs/dbraw/zinc/80/08/09/388800809.db2.gz MUANRWRPDSBKDY-UHFFFAOYSA-N 1 2 244.294 1.840 20 0 BDADLO Cc1nc(N[C@H](C)c2cn[nH]c2)cc[nH+]1 ZINC000229871367 388802219 /nfs/dbraw/zinc/80/22/19/388802219.db2.gz IWBHSTRBQSLNON-SSDOTTSWSA-N 1 2 203.249 1.681 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000193204592 388803226 /nfs/dbraw/zinc/80/32/26/388803226.db2.gz VURSXAOTRRLJPF-JTQLQIEISA-N 1 2 236.319 1.323 20 0 BDADLO C[C@@H]([N@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000540339842 388804272 /nfs/dbraw/zinc/80/42/72/388804272.db2.gz CLNDORILIMGGNE-SSDOTTSWSA-N 1 2 212.297 1.377 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000540339842 388804275 /nfs/dbraw/zinc/80/42/75/388804275.db2.gz CLNDORILIMGGNE-SSDOTTSWSA-N 1 2 212.297 1.377 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CC[C@H](O)CC1 ZINC000253134822 388805808 /nfs/dbraw/zinc/80/58/08/388805808.db2.gz QWCBROHTWRDJTI-MGCOHNPYSA-N 1 2 222.288 1.806 20 0 BDADLO CC(C)[C@@H]1N(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000554306162 388808987 /nfs/dbraw/zinc/80/89/87/388808987.db2.gz SWLBQWIFALXGLA-LBPRGKRZSA-N 1 2 235.331 1.776 20 0 BDADLO COC[C@H](O)C[NH2+]CC(F)(F)c1ccccc1 ZINC000227902106 388761718 /nfs/dbraw/zinc/76/17/18/388761718.db2.gz HXNSYGMVSYRLMU-LLVKDONJSA-N 1 2 245.269 1.375 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000539561052 388764468 /nfs/dbraw/zinc/76/44/68/388764468.db2.gz XSAJCUPHVPWODX-WDEREUQCSA-N 1 2 233.315 1.703 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ncnc2ccccc21 ZINC000522872342 388776246 /nfs/dbraw/zinc/77/62/46/388776246.db2.gz QMFHEPCXUKJHLI-UHFFFAOYSA-N 1 2 239.282 1.989 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CC(C)(C)O1 ZINC000068478012 388789618 /nfs/dbraw/zinc/78/96/18/388789618.db2.gz ZSTPARBPGUKKQA-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC(C)(C)O1 ZINC000068478012 388789622 /nfs/dbraw/zinc/78/96/22/388789622.db2.gz ZSTPARBPGUKKQA-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]1(C)CCO[C@H]1C ZINC000230155568 388818006 /nfs/dbraw/zinc/81/80/06/388818006.db2.gz PAEVHPKULVLVIX-GXSJLCMTSA-N 1 2 209.293 1.375 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)c1ccccc1 ZINC000129228591 388825655 /nfs/dbraw/zinc/82/56/55/388825655.db2.gz KLOPRXCHJUFEKX-OAHLLOKOSA-N 1 2 220.297 1.728 20 0 BDADLO CC(C)[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000232694936 388855513 /nfs/dbraw/zinc/85/55/13/388855513.db2.gz UQLMZEGWVKTRGW-LURJTMIESA-N 1 2 230.699 1.141 20 0 BDADLO CC(C)[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000232694936 388855517 /nfs/dbraw/zinc/85/55/17/388855517.db2.gz UQLMZEGWVKTRGW-LURJTMIESA-N 1 2 230.699 1.141 20 0 BDADLO CCc1ccc(O)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000093899986 388855546 /nfs/dbraw/zinc/85/55/46/388855546.db2.gz QYSARDJQPBIXQD-UHFFFAOYSA-N 1 2 248.326 1.342 20 0 BDADLO O=C(CCC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000523722782 388857295 /nfs/dbraw/zinc/85/72/95/388857295.db2.gz ZFTRWEFAYRJJLJ-UHFFFAOYSA-N 1 2 219.288 1.457 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000129749621 388869846 /nfs/dbraw/zinc/86/98/46/388869846.db2.gz MMQZKSJXMCTAEA-RYUDHWBXSA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000129749621 388869850 /nfs/dbraw/zinc/86/98/50/388869850.db2.gz MMQZKSJXMCTAEA-RYUDHWBXSA-N 1 2 243.347 1.827 20 0 BDADLO CC1(CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000564694596 388885162 /nfs/dbraw/zinc/88/51/62/388885162.db2.gz KJGBMWGKYUZYHJ-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO CC1(CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000564694596 388885165 /nfs/dbraw/zinc/88/51/65/388885165.db2.gz KJGBMWGKYUZYHJ-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@]12C[C@H]1CCC2 ZINC000564817786 388890624 /nfs/dbraw/zinc/89/06/24/388890624.db2.gz OBSPBTLBLSXMSO-PRHODGIISA-N 1 2 218.256 1.338 20 0 BDADLO CO[C@H](C[N@@H+]1CCC[C@H]1c1ncon1)C1CC1 ZINC000564880110 388896055 /nfs/dbraw/zinc/89/60/55/388896055.db2.gz BVSMIDATGFEUSY-WDEREUQCSA-N 1 2 237.303 1.632 20 0 BDADLO CO[C@H](C[N@H+]1CCC[C@H]1c1ncon1)C1CC1 ZINC000564880110 388896059 /nfs/dbraw/zinc/89/60/59/388896059.db2.gz BVSMIDATGFEUSY-WDEREUQCSA-N 1 2 237.303 1.632 20 0 BDADLO CCCn1c(C)nnc1C[NH+]1CCCCC1 ZINC000152987303 388911133 /nfs/dbraw/zinc/91/11/33/388911133.db2.gz NEXZZDVFYVEWHN-UHFFFAOYSA-N 1 2 222.336 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](F)C2)n(C)n1 ZINC000565099676 388914942 /nfs/dbraw/zinc/91/49/42/388914942.db2.gz MVTBWKXTWSIMOI-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](F)C2)n(C)n1 ZINC000565099676 388914944 /nfs/dbraw/zinc/91/49/44/388914944.db2.gz MVTBWKXTWSIMOI-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@]23CCNC3=O)oc1C ZINC000565175895 388921068 /nfs/dbraw/zinc/92/10/68/388921068.db2.gz XHALVSINSUOWNZ-CYBMUJFWSA-N 1 2 249.314 1.146 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@]23CCNC3=O)oc1C ZINC000565175895 388921064 /nfs/dbraw/zinc/92/10/64/388921064.db2.gz XHALVSINSUOWNZ-CYBMUJFWSA-N 1 2 249.314 1.146 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccoc1 ZINC000565176286 388922209 /nfs/dbraw/zinc/92/22/09/388922209.db2.gz BXCVMMFRVHVQPH-SECBINFHSA-N 1 2 233.271 1.498 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccoc1 ZINC000565176286 388922213 /nfs/dbraw/zinc/92/22/13/388922213.db2.gz BXCVMMFRVHVQPH-SECBINFHSA-N 1 2 233.271 1.498 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000565186104 388923023 /nfs/dbraw/zinc/92/30/23/388923023.db2.gz PKZXZCPINRMYNU-SDDRHHMPSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000565186104 388923021 /nfs/dbraw/zinc/92/30/21/388923021.db2.gz PKZXZCPINRMYNU-SDDRHHMPSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)Cc1nccn1C ZINC000565725132 388966305 /nfs/dbraw/zinc/96/63/05/388966305.db2.gz DABYOJOEZBNNFG-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO Cc1cnc(C)nc1N(C)Cc1[nH+]ccn1C ZINC000565725132 388966308 /nfs/dbraw/zinc/96/63/08/388966308.db2.gz DABYOJOEZBNNFG-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO CNc1cccnc1CNc1nc(C)[nH+]cc1C ZINC000565725665 388966574 /nfs/dbraw/zinc/96/65/74/388966574.db2.gz IYYLEEMFUDZILF-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO Cc1cc(C)nc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000565782176 388968697 /nfs/dbraw/zinc/96/86/97/388968697.db2.gz AJWIDSPUIDXJHD-LBPRGKRZSA-N 1 2 247.342 1.977 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565310605 388937684 /nfs/dbraw/zinc/93/76/84/388937684.db2.gz XNKBVRDPCGYCQX-DTWKUNHWSA-N 1 2 237.303 1.186 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C2CC2)o1 ZINC000565331587 388939402 /nfs/dbraw/zinc/93/94/02/388939402.db2.gz JIEXKPLGVFQQIF-AOOOYVTPSA-N 1 2 247.298 1.643 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C2CC2)o1 ZINC000565331587 388939403 /nfs/dbraw/zinc/93/94/03/388939403.db2.gz JIEXKPLGVFQQIF-AOOOYVTPSA-N 1 2 247.298 1.643 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(F)F ZINC000565373618 388940264 /nfs/dbraw/zinc/94/02/64/388940264.db2.gz QGZKOHLNHSNXFD-IUCAKERBSA-N 1 2 234.290 1.487 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CCc1cnccn1 ZINC000565547391 388952407 /nfs/dbraw/zinc/95/24/07/388952407.db2.gz AUEFHBHIKHLMMT-UHFFFAOYSA-N 1 2 243.314 1.562 20 0 BDADLO COC(C)(C)C[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000565564928 388954152 /nfs/dbraw/zinc/95/41/52/388954152.db2.gz BSZMYLDIHHRBMG-QMMMGPOBSA-N 1 2 227.308 1.796 20 0 BDADLO COC(C)(C)C[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000565564928 388954155 /nfs/dbraw/zinc/95/41/55/388954155.db2.gz BSZMYLDIHHRBMG-QMMMGPOBSA-N 1 2 227.308 1.796 20 0 BDADLO CCn1nncc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000565605876 388956658 /nfs/dbraw/zinc/95/66/58/388956658.db2.gz MHPCQJZOKLSKEK-UHFFFAOYSA-N 1 2 245.286 1.562 20 0 BDADLO C[C@H](O)CCNc1cc[nH+]c2ccncc12 ZINC000267928004 389002288 /nfs/dbraw/zinc/00/22/88/389002288.db2.gz DWXZZGMSHVTGKP-VIFPVBQESA-N 1 2 217.272 1.813 20 0 BDADLO c1ccc(NCCCO[C@H]2CCOC2)[nH+]c1 ZINC000268279880 389002312 /nfs/dbraw/zinc/00/23/12/389002312.db2.gz WDHRGHHWOZEXNJ-NSHDSACASA-N 1 2 222.288 1.689 20 0 BDADLO CCN(C(=O)Nc1ccc(C)[nH+]c1C)C1COC1 ZINC000565817941 388971770 /nfs/dbraw/zinc/97/17/70/388971770.db2.gz NXONJUQPQKQWPX-UHFFFAOYSA-N 1 2 249.314 1.951 20 0 BDADLO CS(=O)(=O)CC1(CNc2cccc[nH+]2)CC1 ZINC000269381853 389009410 /nfs/dbraw/zinc/00/94/10/389009410.db2.gz VIVXPUVCOZIONQ-UHFFFAOYSA-N 1 2 240.328 1.318 20 0 BDADLO CON(CC(C)(C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493360911 533306171 /nfs/dbraw/zinc/30/61/71/533306171.db2.gz ALIICTVJYBSBSQ-AATRIKPKSA-N 1 2 237.303 1.859 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493482719 533369544 /nfs/dbraw/zinc/36/95/44/533369544.db2.gz JKXULBWPGJKCOG-CYNONHLPSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CS1 ZINC000493050025 533593622 /nfs/dbraw/zinc/59/36/22/533593622.db2.gz OLMVPKJUKZGRIR-QTIBKXMGSA-N 1 2 237.328 1.433 20 0 BDADLO Cc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)on1 ZINC000493628406 533641986 /nfs/dbraw/zinc/64/19/86/533641986.db2.gz QTMHFDMEIWFFGE-IHWYPQMZSA-N 1 2 232.243 1.036 20 0 BDADLO Cc1ccnc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000265520700 132182983 /nfs/dbraw/zinc/18/29/83/132182983.db2.gz LYKBVUWTUCPGPL-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000270949563 132198066 /nfs/dbraw/zinc/19/80/66/132198066.db2.gz LPJUJTFHGGOVEP-CQSZACIVSA-N 1 2 243.310 1.981 20 0 BDADLO c1cc(N2CCOC[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000273458251 132201762 /nfs/dbraw/zinc/20/17/62/132201762.db2.gz HVJFVQLSZQPQRO-LBPRGKRZSA-N 1 2 245.326 1.969 20 0 BDADLO Cc1nc(N2C[C@@H](C)O[C@]3(CCOC3)C2)cc[nH+]1 ZINC000280356761 132210316 /nfs/dbraw/zinc/21/03/16/132210316.db2.gz XDJWVMULMUVPLL-ZWNOBZJWSA-N 1 2 249.314 1.169 20 0 BDADLO CO[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000280464728 132210609 /nfs/dbraw/zinc/21/06/09/132210609.db2.gz MMIIKCVEDXMCFW-GFCCVEGCSA-N 1 2 221.304 1.790 20 0 BDADLO Cc1nc(N2CCO[C@@]3(CCO[C@@H]3C)C2)cc[nH+]1 ZINC000280588295 132210634 /nfs/dbraw/zinc/21/06/34/132210634.db2.gz WRCRTWMDKXJOSO-MFKMUULPSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N2CCC[C@](F)(CO)C2)cc[nH+]1 ZINC000286273289 132214461 /nfs/dbraw/zinc/21/44/61/132214461.db2.gz DPYKGNCJNFSJFE-LLVKDONJSA-N 1 2 225.267 1.086 20 0 BDADLO Nc1[nH+]cnc(N2CCC(CF)CC2)c1Cl ZINC000295031891 132220394 /nfs/dbraw/zinc/22/03/94/132220394.db2.gz RWPPGXLLQDRBCZ-UHFFFAOYSA-N 1 2 244.701 1.898 20 0 BDADLO Nc1nc[nH+]c(N2CCC(CF)CC2)c1Cl ZINC000295031891 132220396 /nfs/dbraw/zinc/22/03/96/132220396.db2.gz RWPPGXLLQDRBCZ-UHFFFAOYSA-N 1 2 244.701 1.898 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000295438087 132220734 /nfs/dbraw/zinc/22/07/34/132220734.db2.gz VIRKMKSSVSKAIX-PHIMTYICSA-N 1 2 248.330 1.402 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000295438087 132220736 /nfs/dbraw/zinc/22/07/36/132220736.db2.gz VIRKMKSSVSKAIX-PHIMTYICSA-N 1 2 248.330 1.402 20 0 BDADLO C[C@H]1OCCN(c2cc(NC3CC3)[nH+]cn2)[C@@H]1C ZINC000334056122 132246942 /nfs/dbraw/zinc/24/69/42/132246942.db2.gz VJVHAJFIWVNYLC-NXEZZACHSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@H]1OCCN(c2cc(NC3CC3)nc[nH+]2)[C@@H]1C ZINC000334056122 132246944 /nfs/dbraw/zinc/24/69/44/132246944.db2.gz VJVHAJFIWVNYLC-NXEZZACHSA-N 1 2 248.330 1.665 20 0 BDADLO c1ccc(N2CCO[C@H](C3CC3)C2)[nH+]c1 ZINC000336546175 132248868 /nfs/dbraw/zinc/24/88/68/132248868.db2.gz HKLNTSLMNNPZHN-NSHDSACASA-N 1 2 204.273 1.697 20 0 BDADLO CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301236187 132252192 /nfs/dbraw/zinc/25/21/92/132252192.db2.gz LVFNGDFZKGAGJE-LLVKDONJSA-N 1 2 248.330 1.280 20 0 BDADLO Nc1nc(N2CCSCC2)[nH+]c2ccccc12 ZINC000301791051 132257883 /nfs/dbraw/zinc/25/78/83/132257883.db2.gz QTCMPYXOYFAZFI-UHFFFAOYSA-N 1 2 246.339 1.765 20 0 BDADLO CCC[C@@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000301830724 132258122 /nfs/dbraw/zinc/25/81/22/132258122.db2.gz HWCZTZMFQLSNBY-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000301957885 132258977 /nfs/dbraw/zinc/25/89/77/132258977.db2.gz NJTHYUBWYUSKGF-GXSJLCMTSA-N 1 2 233.315 1.561 20 0 BDADLO Cc1cc(N2CCO[C@]3(CCO[C@H]3C)C2)nc[nH+]1 ZINC000359871834 132278292 /nfs/dbraw/zinc/27/82/92/132278292.db2.gz HNHJSXUJYFIICQ-WCQYABFASA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N2CCC(n3cncn3)CC2)cc[nH+]1 ZINC000360226141 132278308 /nfs/dbraw/zinc/27/83/08/132278308.db2.gz VOAIKWQOUZMELG-UHFFFAOYSA-N 1 2 244.302 1.218 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@@H](C)O1 ZINC000361026118 132279901 /nfs/dbraw/zinc/27/99/01/132279901.db2.gz RGZKUGUESYRDQP-MWLCHTKSSA-N 1 2 221.304 1.789 20 0 BDADLO O=S1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000362855841 132282190 /nfs/dbraw/zinc/28/21/90/132282190.db2.gz OJZQXJADECYQKE-UHFFFAOYSA-N 1 2 247.323 1.199 20 0 BDADLO c1cc(N2CCOCC2)[nH+]cc1NCC1CC1 ZINC000037076101 132295613 /nfs/dbraw/zinc/29/56/13/132295613.db2.gz WRCAGMHQVLOQLY-UHFFFAOYSA-N 1 2 233.315 1.740 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nc(C)cc(C)n1)CC2 ZINC000359897742 132300598 /nfs/dbraw/zinc/30/05/98/132300598.db2.gz KUSZNNIXNMKPTE-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO c1nc(N2CCCCC2)cc(N[C@@H]2CCOC2)[nH+]1 ZINC000301775547 132361182 /nfs/dbraw/zinc/36/11/82/132361182.db2.gz NSMFRDJQIPTYSI-LLVKDONJSA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(N[C@@H]2CCOC2)cc(N2CCCCC2)[nH+]1 ZINC000301775547 132361183 /nfs/dbraw/zinc/36/11/83/132361183.db2.gz NSMFRDJQIPTYSI-LLVKDONJSA-N 1 2 248.330 1.668 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000043627869 322839800 /nfs/dbraw/zinc/83/98/00/322839800.db2.gz OFMSMWIPZPUCPD-DTWKUNHWSA-N 1 2 227.329 1.830 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccncc1 ZINC000347547535 133840269 /nfs/dbraw/zinc/84/02/69/133840269.db2.gz NSYIFFHJQHUNQV-VIFPVBQESA-N 1 2 243.314 1.928 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(C)(C)C(F)F ZINC000349527827 133887887 /nfs/dbraw/zinc/88/78/87/133887887.db2.gz IHKIMOVETZWWPU-UHFFFAOYSA-N 1 2 231.246 1.328 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)n1 ZINC000335925909 134008818 /nfs/dbraw/zinc/00/88/18/134008818.db2.gz MIQZSIHCYXVGRV-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@@](F)(CO)C2)n1 ZINC000335925909 134008819 /nfs/dbraw/zinc/00/88/19/134008819.db2.gz MIQZSIHCYXVGRV-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(F)cc1 ZINC000335937020 134012469 /nfs/dbraw/zinc/01/24/69/134012469.db2.gz XPWABLNEXPYUKX-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(F)cc1 ZINC000335937020 134012470 /nfs/dbraw/zinc/01/24/70/134012470.db2.gz XPWABLNEXPYUKX-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351957063 134016604 /nfs/dbraw/zinc/01/66/04/134016604.db2.gz IZQYPNSAPFRQAF-PWSUYJOCSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351957063 134016605 /nfs/dbraw/zinc/01/66/05/134016605.db2.gz IZQYPNSAPFRQAF-PWSUYJOCSA-N 1 2 241.331 1.439 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000335959591 134024563 /nfs/dbraw/zinc/02/45/63/134024563.db2.gz GZKIHSHNDHAXMJ-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000335959591 134024564 /nfs/dbraw/zinc/02/45/64/134024564.db2.gz GZKIHSHNDHAXMJ-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CCC[C@H]21 ZINC000335974122 134030685 /nfs/dbraw/zinc/03/06/85/134030685.db2.gz LVYKHFMDTKQNPX-WDEREUQCSA-N 1 2 233.315 1.743 20 0 BDADLO Cn1c[nH+]cc1CSc1cccnn1 ZINC000335980005 134032638 /nfs/dbraw/zinc/03/26/38/134032638.db2.gz CGIAXVBBJSPBFM-UHFFFAOYSA-N 1 2 206.274 1.502 20 0 BDADLO Cc1cccc2[nH+]c(Cn3ccnn3)cn21 ZINC000352015547 134036238 /nfs/dbraw/zinc/03/62/38/134036238.db2.gz ZIGGVECUSHMXJP-UHFFFAOYSA-N 1 2 213.244 1.283 20 0 BDADLO FC1(F)COCC[N@H+](C2CCCC2)C1 ZINC000335993697 134041608 /nfs/dbraw/zinc/04/16/08/134041608.db2.gz MJHHNTXIRVAFJM-UHFFFAOYSA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)COCC[N@@H+](C2CCCC2)C1 ZINC000335993697 134041607 /nfs/dbraw/zinc/04/16/07/134041607.db2.gz MJHHNTXIRVAFJM-UHFFFAOYSA-N 1 2 205.248 1.897 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)[C@H]1CCCOC1 ZINC000335996948 134042510 /nfs/dbraw/zinc/04/25/10/134042510.db2.gz IAFYZSYKNAREBF-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)[C@H]1CCCOC1 ZINC000335996948 134042511 /nfs/dbraw/zinc/04/25/11/134042511.db2.gz IAFYZSYKNAREBF-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cc1ccn(C)c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336022373 134056049 /nfs/dbraw/zinc/05/60/49/134056049.db2.gz NJBTWWSXSFSOHR-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO Cc1cc(NC(=O)Cc2ncccc2F)cc[nH+]1 ZINC000336051147 134064830 /nfs/dbraw/zinc/06/48/30/134064830.db2.gz KMOSMALXHBKXIR-UHFFFAOYSA-N 1 2 245.257 1.527 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000336055548 134066485 /nfs/dbraw/zinc/06/64/85/134066485.db2.gz NJGZXVNOKXOEJB-YUMQZZPRSA-N 1 2 236.319 1.448 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336066422 134070811 /nfs/dbraw/zinc/07/08/11/134070811.db2.gz DWQGOPXYHPMMKU-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336066422 134070812 /nfs/dbraw/zinc/07/08/12/134070812.db2.gz DWQGOPXYHPMMKU-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1nnc(C[NH+]2C[C@@H](C)S[C@H](C)C2)[nH]1 ZINC000336110509 134086541 /nfs/dbraw/zinc/08/65/41/134086541.db2.gz YRFSPMLHVOQYBV-HTQZYQBOSA-N 1 2 226.349 1.439 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@@H]1CO ZINC000336171033 134115039 /nfs/dbraw/zinc/11/50/39/134115039.db2.gz XJXVKLQLPXKDIS-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@@H]1CO ZINC000336171033 134115040 /nfs/dbraw/zinc/11/50/40/134115040.db2.gz XJXVKLQLPXKDIS-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1noc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)n1 ZINC000336183237 134120256 /nfs/dbraw/zinc/12/02/56/134120256.db2.gz BSTUPALUXFTWNM-SSDOTTSWSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1noc(C[N@H+]2CCC(F)(F)[C@H](C)C2)n1 ZINC000336183237 134120257 /nfs/dbraw/zinc/12/02/57/134120257.db2.gz BSTUPALUXFTWNM-SSDOTTSWSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC000336183634 134120696 /nfs/dbraw/zinc/12/06/96/134120696.db2.gz OHNQTKJRKNBGIX-PWSUYJOCSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](F)C[C@H]2CO)n1 ZINC000336183634 134120697 /nfs/dbraw/zinc/12/06/97/134120697.db2.gz OHNQTKJRKNBGIX-PWSUYJOCSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(C)s1 ZINC000336183682 134120853 /nfs/dbraw/zinc/12/08/53/134120853.db2.gz RCKHFEZEIKHAKR-ZJUUUORDSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](F)C[C@H]2CO)c(C)s1 ZINC000336183682 134120854 /nfs/dbraw/zinc/12/08/54/134120854.db2.gz RCKHFEZEIKHAKR-ZJUUUORDSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)on1 ZINC000336191059 134123528 /nfs/dbraw/zinc/12/35/28/134123528.db2.gz HNCLAFNQSKCNDB-MFKMUULPSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)on1 ZINC000336191059 134123529 /nfs/dbraw/zinc/12/35/29/134123529.db2.gz HNCLAFNQSKCNDB-MFKMUULPSA-N 1 2 236.315 1.982 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCCNc1cccc[nH+]1 ZINC000352283242 134131845 /nfs/dbraw/zinc/13/18/45/134131845.db2.gz BZMAQJVDMONTSA-GHMZBOCLSA-N 1 2 233.315 1.656 20 0 BDADLO Cc1cccc(CC[NH+]2CCS(=O)CC2)c1 ZINC000336210037 134133621 /nfs/dbraw/zinc/13/36/21/134133621.db2.gz XIQNFTPZVXOVFO-UHFFFAOYSA-N 1 2 237.368 1.602 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000336213005 134135365 /nfs/dbraw/zinc/13/53/65/134135365.db2.gz ZTGIQNAIDABABV-CMPLNLGQSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(F)cc1 ZINC000168605879 134231013 /nfs/dbraw/zinc/23/10/13/134231013.db2.gz MTGRTWSPORFGQL-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(F)cc1 ZINC000168605879 134231014 /nfs/dbraw/zinc/23/10/14/134231014.db2.gz MTGRTWSPORFGQL-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C/C=C/c1ccccc1 ZINC000168649476 134238462 /nfs/dbraw/zinc/23/84/62/134238462.db2.gz KGEGJHAFKNTPMX-IEOKHJKGSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C/C=C/c1ccccc1 ZINC000168649476 134238463 /nfs/dbraw/zinc/23/84/63/134238463.db2.gz KGEGJHAFKNTPMX-IEOKHJKGSA-N 1 2 247.338 1.781 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000168804750 134247093 /nfs/dbraw/zinc/24/70/93/134247093.db2.gz DITYOIVULNOBNR-TUAOUCFPSA-N 1 2 241.331 1.581 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000168804750 134247094 /nfs/dbraw/zinc/24/70/94/134247094.db2.gz DITYOIVULNOBNR-TUAOUCFPSA-N 1 2 241.331 1.581 20 0 BDADLO COc1cccc(C[N@@H+]2CCOC(C)(C)C2)n1 ZINC000171824265 134261082 /nfs/dbraw/zinc/26/10/82/134261082.db2.gz GLXOCTWNZQFUFZ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cccc(C[N@H+]2CCOC(C)(C)C2)n1 ZINC000171824265 134261083 /nfs/dbraw/zinc/26/10/83/134261083.db2.gz GLXOCTWNZQFUFZ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CS[C@@H](CO)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000218902017 134270184 /nfs/dbraw/zinc/27/01/84/134270184.db2.gz YXGIVCLTKMKWLW-BDAKNGLRSA-N 1 2 227.333 1.309 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000173988929 134277762 /nfs/dbraw/zinc/27/77/62/134277762.db2.gz JBOVLTTVFFRLJI-VIFPVBQESA-N 1 2 232.287 1.007 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000173988929 134277763 /nfs/dbraw/zinc/27/77/63/134277763.db2.gz JBOVLTTVFFRLJI-VIFPVBQESA-N 1 2 232.287 1.007 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000221040083 134317998 /nfs/dbraw/zinc/31/79/98/134317998.db2.gz YXEIVKWVFIEFKJ-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@@H]1O ZINC000221211239 134322399 /nfs/dbraw/zinc/32/23/99/134322399.db2.gz UTNTUZWBWQNEAF-GWCFXTLKSA-N 1 2 245.326 1.780 20 0 BDADLO CCc1ncnc(N[C@@H](C)Cn2cc[nH+]c2)c1F ZINC000223215170 134337843 /nfs/dbraw/zinc/33/78/43/134337843.db2.gz XTKPRVMXMWHSFQ-VIFPVBQESA-N 1 2 249.293 1.875 20 0 BDADLO COCc1nc(C[NH+]2[C@H](C)CCC[C@H]2C)no1 ZINC000182468356 134342198 /nfs/dbraw/zinc/34/21/98/134342198.db2.gz BSMDQLRKJOCOBD-NXEZZACHSA-N 1 2 239.319 1.979 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000182503494 134345694 /nfs/dbraw/zinc/34/56/94/134345694.db2.gz KGXXZTOLPCNNCY-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000182503494 134345695 /nfs/dbraw/zinc/34/56/95/134345695.db2.gz KGXXZTOLPCNNCY-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183749631 134353984 /nfs/dbraw/zinc/35/39/84/134353984.db2.gz BVFWPCCLCVNXCU-ZJUUUORDSA-N 1 2 223.320 1.751 20 0 BDADLO O[C@@H]1CCOc2c(NCc3[nH]cc[nH+]3)cccc21 ZINC000184074287 134357849 /nfs/dbraw/zinc/35/78/49/134357849.db2.gz PCQSICJGJZMABZ-LLVKDONJSA-N 1 2 245.282 1.838 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000227400594 134380728 /nfs/dbraw/zinc/38/07/28/134380728.db2.gz XJYFQDZAQWYRAC-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000227400594 134380729 /nfs/dbraw/zinc/38/07/29/134380729.db2.gz XJYFQDZAQWYRAC-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185814237 134390747 /nfs/dbraw/zinc/39/07/47/134390747.db2.gz YSNSYROJRFRDOF-VHSXEESVSA-N 1 2 221.304 1.361 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@]1(C)CCCO1)C1CC1 ZINC000227771160 134393587 /nfs/dbraw/zinc/39/35/87/134393587.db2.gz LLTXPRJGIRYMES-JQWIXIFHSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)[C@@H](C)O ZINC000191963175 134578198 /nfs/dbraw/zinc/57/81/98/134578198.db2.gz LKMGFYFLGTZELK-USZNOCQGSA-N 1 2 243.347 1.325 20 0 BDADLO CO[C@H]1C[C@H]([NH2+]CC(=O)OC(C)(C)C)C1(C)C ZINC000234794364 134583709 /nfs/dbraw/zinc/58/37/09/134583709.db2.gz UDKKNWLESRFAAZ-UWVGGRQHSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@@](C)([NH2+]CCC(F)(F)F)C(=O)OC ZINC000336746041 171173518 /nfs/dbraw/zinc/17/35/18/171173518.db2.gz BAZPDTXSLBPUAV-MRVPVSSYSA-N 1 2 227.226 1.870 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248389095 135002035 /nfs/dbraw/zinc/00/20/35/135002035.db2.gz GCYSJLSZTYYJRJ-GJMOJQLCSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248389095 135002037 /nfs/dbraw/zinc/00/20/37/135002037.db2.gz GCYSJLSZTYYJRJ-GJMOJQLCSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248399902 135005511 /nfs/dbraw/zinc/00/55/11/135005511.db2.gz WOEMDVHTDWSJBC-PSASIEDQSA-N 1 2 248.248 1.788 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248399902 135005514 /nfs/dbraw/zinc/00/55/14/135005514.db2.gz WOEMDVHTDWSJBC-PSASIEDQSA-N 1 2 248.248 1.788 20 0 BDADLO O=C(Cc1ccccc1)NCc1[nH]cc[nH+]1 ZINC000070651567 135005631 /nfs/dbraw/zinc/00/56/31/135005631.db2.gz RWRXUAFIYQLVJE-UHFFFAOYSA-N 1 2 215.256 1.269 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)oc1C ZINC000248484662 135014504 /nfs/dbraw/zinc/01/45/04/135014504.db2.gz KDQMIDQXXQQNHB-ZKANADHPSA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)oc1C ZINC000248484662 135014505 /nfs/dbraw/zinc/01/45/05/135014505.db2.gz KDQMIDQXXQQNHB-ZKANADHPSA-N 1 2 244.360 1.490 20 0 BDADLO CC[C@H](C)C[N@@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249297026 135043143 /nfs/dbraw/zinc/04/31/43/135043143.db2.gz KMTPGPXGNMVIMB-QWRGUYRKSA-N 1 2 233.377 1.399 20 0 BDADLO CC[C@H](C)C[N@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249297026 135043145 /nfs/dbraw/zinc/04/31/45/135043145.db2.gz KMTPGPXGNMVIMB-QWRGUYRKSA-N 1 2 233.377 1.399 20 0 BDADLO Cc1ncccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000351628593 135094357 /nfs/dbraw/zinc/09/43/57/135094357.db2.gz MWPSOTDGIRSCLL-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)s2)[C@H](C)CO1 ZINC000086765796 135096449 /nfs/dbraw/zinc/09/64/49/135096449.db2.gz YJCNMWPKZMNWRN-HTQZYQBOSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)s2)[C@H](C)CO1 ZINC000086765796 135096450 /nfs/dbraw/zinc/09/64/50/135096450.db2.gz YJCNMWPKZMNWRN-HTQZYQBOSA-N 1 2 227.333 1.335 20 0 BDADLO COC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086926908 135101554 /nfs/dbraw/zinc/10/15/54/135101554.db2.gz PMIGJVGMYZZMII-QMMMGPOBSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000078304793 135118365 /nfs/dbraw/zinc/11/83/65/135118365.db2.gz GFUZJYRORSYHBI-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000264898389 135141192 /nfs/dbraw/zinc/14/11/92/135141192.db2.gz DWDJFOIRQXBLGK-JTQLQIEISA-N 1 2 223.320 1.671 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000264898393 135141202 /nfs/dbraw/zinc/14/12/02/135141202.db2.gz DWDJFOIRQXBLGK-SNVBAGLBSA-N 1 2 223.320 1.671 20 0 BDADLO COC[C@H]1C[N@@H+]([C@H](C)c2cccnc2)CCO1 ZINC000265992625 135146346 /nfs/dbraw/zinc/14/63/46/135146346.db2.gz KCCIRWYIFJOWHN-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H]1C[N@H+]([C@H](C)c2cccnc2)CCO1 ZINC000265992625 135146348 /nfs/dbraw/zinc/14/63/48/135146348.db2.gz KCCIRWYIFJOWHN-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO CCOC(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000260195026 135147571 /nfs/dbraw/zinc/14/75/71/135147571.db2.gz GPYZQCROHCGRSG-UHFFFAOYSA-N 1 2 235.287 1.719 20 0 BDADLO CC(C)[C@H]1CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261534241 135166854 /nfs/dbraw/zinc/16/68/54/135166854.db2.gz OVFLDAMNFGEPSW-VIFPVBQESA-N 1 2 224.308 1.006 20 0 BDADLO CC(C)[C@H]1CCN(Cc2noc(C[NH3+])n2)C1 ZINC000261534241 135166855 /nfs/dbraw/zinc/16/68/55/135166855.db2.gz OVFLDAMNFGEPSW-VIFPVBQESA-N 1 2 224.308 1.006 20 0 BDADLO Cc1ncsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081643 135182375 /nfs/dbraw/zinc/18/23/75/135182375.db2.gz FBWODFJMRXQPBD-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1ncsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081643 135182376 /nfs/dbraw/zinc/18/23/76/135182376.db2.gz FBWODFJMRXQPBD-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Nc1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000261593408 135233479 /nfs/dbraw/zinc/23/34/79/135233479.db2.gz WUGLFLSGHVSLBR-SNVBAGLBSA-N 1 2 239.344 1.336 20 0 BDADLO Nc1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000261593408 135233480 /nfs/dbraw/zinc/23/34/80/135233480.db2.gz WUGLFLSGHVSLBR-SNVBAGLBSA-N 1 2 239.344 1.336 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3cncnc3C2)s1 ZINC000261734904 135249011 /nfs/dbraw/zinc/24/90/11/135249011.db2.gz HTQPAAUEJUZLFF-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3cncnc3C2)s1 ZINC000261734904 135249012 /nfs/dbraw/zinc/24/90/12/135249012.db2.gz HTQPAAUEJUZLFF-UHFFFAOYSA-N 1 2 247.327 1.074 20 0 BDADLO C[C@](CO)(C[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000342227300 135253832 /nfs/dbraw/zinc/25/38/32/135253832.db2.gz YJQQGLOPAZTZGJ-CQSZACIVSA-N 1 2 245.326 1.450 20 0 BDADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCCCCC1 ZINC000261856747 135257566 /nfs/dbraw/zinc/25/75/66/135257566.db2.gz ACWNDYMDYFDRQW-SECBINFHSA-N 1 2 232.274 1.386 20 0 BDADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCCCCC1 ZINC000261856749 135257801 /nfs/dbraw/zinc/25/78/01/135257801.db2.gz ACWNDYMDYFDRQW-VIFPVBQESA-N 1 2 232.274 1.386 20 0 BDADLO Cc1cc(NCC2(CCO)CCCC2)nc[nH+]1 ZINC000342458816 135276874 /nfs/dbraw/zinc/27/68/74/135276874.db2.gz OOVYSRFXSQWSQS-UHFFFAOYSA-N 1 2 235.331 1.562 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000342517770 135286278 /nfs/dbraw/zinc/28/62/78/135286278.db2.gz XTMUWZBTUDNUEK-BDAKNGLRSA-N 1 2 239.344 1.210 20 0 BDADLO COCc1cnc(C[N@@H+](C)[C@H](C)COC)s1 ZINC000342641726 135299481 /nfs/dbraw/zinc/29/94/81/135299481.db2.gz XUTGOOCBMILMEV-SECBINFHSA-N 1 2 244.360 1.756 20 0 BDADLO COCc1cnc(C[N@H+](C)[C@H](C)COC)s1 ZINC000342641726 135299482 /nfs/dbraw/zinc/29/94/82/135299482.db2.gz XUTGOOCBMILMEV-SECBINFHSA-N 1 2 244.360 1.756 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)CCC(F)(F)F ZINC000342642524 135299980 /nfs/dbraw/zinc/29/99/80/135299980.db2.gz QNYRWCNNZGQRCY-SSDOTTSWSA-N 1 2 227.226 1.822 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)CCC(F)(F)F ZINC000342642524 135299982 /nfs/dbraw/zinc/29/99/82/135299982.db2.gz QNYRWCNNZGQRCY-SSDOTTSWSA-N 1 2 227.226 1.822 20 0 BDADLO CC[C@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000262777660 135318484 /nfs/dbraw/zinc/31/84/84/135318484.db2.gz KKTOEOLEHRDIGN-VIFPVBQESA-N 1 2 248.330 1.070 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2cccn2C)n1C ZINC000342784470 135318626 /nfs/dbraw/zinc/31/86/26/135318626.db2.gz QYLHNZHGRHYMOF-UHFFFAOYSA-N 1 2 232.331 1.699 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000342795270 135319360 /nfs/dbraw/zinc/31/93/60/135319360.db2.gz ALSGOUMNISZLTO-PHIMTYICSA-N 1 2 243.310 1.941 20 0 BDADLO Cc1c[nH+]c(CN(C)C[C@H]2CCCCO2)n1C ZINC000342795381 135319500 /nfs/dbraw/zinc/31/95/00/135319500.db2.gz GHQZORWZSNJWJR-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H]2CCCCO2)n1C ZINC000342795381 135319501 /nfs/dbraw/zinc/31/95/01/135319501.db2.gz GHQZORWZSNJWJR-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCCO2)n1C ZINC000342795381 135319502 /nfs/dbraw/zinc/31/95/02/135319502.db2.gz GHQZORWZSNJWJR-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1c[nH+]c(CNc2ccc(C(N)=O)cc2)n1C ZINC000342795951 135320001 /nfs/dbraw/zinc/32/00/01/135320001.db2.gz IDTUYOLKYDJLRR-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO Cc1c[nH+]c(CN2CC[C@H](O)C(C)(C)C2)n1C ZINC000342797886 135320389 /nfs/dbraw/zinc/32/03/89/135320389.db2.gz QXYQIKGRYGITKV-NSHDSACASA-N 1 2 237.347 1.321 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@H](C)O ZINC000342799147 135320956 /nfs/dbraw/zinc/32/09/56/135320956.db2.gz HNZZYXGMMSUDBE-OUAUKWLOSA-N 1 2 245.363 1.713 20 0 BDADLO Cc1c[nH+]c(CN2CCOC(C)(C)[C@@H]2C)n1C ZINC000342798951 135321083 /nfs/dbraw/zinc/32/10/83/135321083.db2.gz YXZNTPOAELUCDY-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO CCN(Cc1[nH+]cc(C)n1C)CC(F)F ZINC000342799168 135321167 /nfs/dbraw/zinc/32/11/67/135321167.db2.gz IDCUDEXAFSQSJG-UHFFFAOYSA-N 1 2 217.263 1.816 20 0 BDADLO O=C(Nc1ccccn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262906248 135323115 /nfs/dbraw/zinc/32/31/15/135323115.db2.gz FDZFATAMJKVAAW-ZETCQYMHSA-N 1 2 227.214 1.017 20 0 BDADLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCO)C2)c1 ZINC000334168711 135324675 /nfs/dbraw/zinc/32/46/75/135324675.db2.gz AOJKRTYCZNCRRK-CYBMUJFWSA-N 1 2 241.281 1.997 20 0 BDADLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCO)C2)c1 ZINC000334168711 135324677 /nfs/dbraw/zinc/32/46/77/135324677.db2.gz AOJKRTYCZNCRRK-CYBMUJFWSA-N 1 2 241.281 1.997 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263006738 135326891 /nfs/dbraw/zinc/32/68/91/135326891.db2.gz PJFSMUCBIAUPIV-AEJSXWLSSA-N 1 2 246.301 1.488 20 0 BDADLO CCC[C@H](NCc1[nH+]cc(C)n1C)C(=O)OC ZINC000342774803 135327239 /nfs/dbraw/zinc/32/72/39/135327239.db2.gz HYCFUWGLJBAGSL-JTQLQIEISA-N 1 2 239.319 1.160 20 0 BDADLO CCc1nnc([C@@H](C)Nc2cc(C)[nH+]cn2)[nH]1 ZINC000342777907 135328051 /nfs/dbraw/zinc/32/80/51/135328051.db2.gz NCJZMDMPFOTJGZ-MRVPVSSYSA-N 1 2 232.291 1.639 20 0 BDADLO CCn1cc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000334224235 135329126 /nfs/dbraw/zinc/32/91/26/135329126.db2.gz XNEYYAUVEBMOSB-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CCn1cc(C[N@H+]2CCOCC23CC3)cn1 ZINC000334224235 135329128 /nfs/dbraw/zinc/32/91/28/135329128.db2.gz XNEYYAUVEBMOSB-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO O=C(NC1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263081297 135331186 /nfs/dbraw/zinc/33/11/86/135331186.db2.gz XNVAJMBRIHZFTR-SECBINFHSA-N 1 2 232.274 1.433 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccc(F)cn2)c[nH+]1 ZINC000334287510 135339891 /nfs/dbraw/zinc/33/98/91/135339891.db2.gz HPYLOJLMJBLJSJ-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@H]1CCCOC1 ZINC000334296031 135341899 /nfs/dbraw/zinc/34/18/99/135341899.db2.gz XUURLZNNNLJCQX-VIFPVBQESA-N 1 2 249.289 1.725 20 0 BDADLO CCc1nc(N2CC(OC(F)F)C2)cc(C)[nH+]1 ZINC000342997454 135344014 /nfs/dbraw/zinc/34/40/14/135344014.db2.gz UXQQMTCXSDWHAB-UHFFFAOYSA-N 1 2 243.257 1.775 20 0 BDADLO COc1cc[nH+]c(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000264468362 135362109 /nfs/dbraw/zinc/36/21/09/135362109.db2.gz XCUOHYOUYQZZQA-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000264468362 135362112 /nfs/dbraw/zinc/36/21/12/135362112.db2.gz XCUOHYOUYQZZQA-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000264468362 135362114 /nfs/dbraw/zinc/36/21/14/135362114.db2.gz XCUOHYOUYQZZQA-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C(C)C)n2)n(C)n1 ZINC000343159902 135363530 /nfs/dbraw/zinc/36/35/30/135363530.db2.gz RTXBVQXEBSDHMQ-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000334357431 135370344 /nfs/dbraw/zinc/37/03/44/135370344.db2.gz QAORUCXYFWHBBS-NSHDSACASA-N 1 2 245.282 1.355 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000334379180 135377868 /nfs/dbraw/zinc/37/78/68/135377868.db2.gz HOQUQUCXPARNSO-YUMQZZPRSA-N 1 2 206.245 1.194 20 0 BDADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000334379048 135378076 /nfs/dbraw/zinc/37/80/76/135378076.db2.gz YGFIBFXTXGLPRC-VIFPVBQESA-N 1 2 219.288 1.066 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC000084081682 135464485 /nfs/dbraw/zinc/46/44/85/135464485.db2.gz WVMYSPKDQXXVBI-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC000084081682 135464486 /nfs/dbraw/zinc/46/44/86/135464486.db2.gz WVMYSPKDQXXVBI-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO Cn1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000334596949 135764049 /nfs/dbraw/zinc/76/40/49/135764049.db2.gz MINNFBLIMSNJFI-SNVBAGLBSA-N 1 2 245.286 1.121 20 0 BDADLO COC1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000347664036 135996166 /nfs/dbraw/zinc/99/61/66/135996166.db2.gz CNOHQENBRXKPTC-UHFFFAOYSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)N1CC[N@H+](C[C@@H]2CC[C@H](C)O2)CC1=O ZINC000335294569 136005423 /nfs/dbraw/zinc/00/54/23/136005423.db2.gz WZFXUAMUJQYKIW-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)CC1=O ZINC000335294569 136005424 /nfs/dbraw/zinc/00/54/24/136005424.db2.gz WZFXUAMUJQYKIW-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO OCC1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347698000 136006750 /nfs/dbraw/zinc/00/67/50/136006750.db2.gz IECDEPZEFYEHRX-UHFFFAOYSA-N 1 2 245.273 1.483 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NC[C@@H]2C[C@H]2C)[nH+]1 ZINC000347871065 136016855 /nfs/dbraw/zinc/01/68/55/136016855.db2.gz UQGZXYLZYPJCPI-ZJUUUORDSA-N 1 2 249.362 1.551 20 0 BDADLO CC(C)c1nc(NC[C@@H]2C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000347871065 136016856 /nfs/dbraw/zinc/01/68/56/136016856.db2.gz UQGZXYLZYPJCPI-ZJUUUORDSA-N 1 2 249.362 1.551 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@]1(C)CCOC1 ZINC000348026755 136026619 /nfs/dbraw/zinc/02/66/19/136026619.db2.gz SZHCKQSMKPBNRP-LBPRGKRZSA-N 1 2 236.271 1.455 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000335307658 136027105 /nfs/dbraw/zinc/02/71/05/136027105.db2.gz VMHJTSZTLFIASD-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000335307658 136027106 /nfs/dbraw/zinc/02/71/06/136027106.db2.gz VMHJTSZTLFIASD-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000335320039 136033938 /nfs/dbraw/zinc/03/39/38/136033938.db2.gz XWSLUYNFLPNEAQ-GHMZBOCLSA-N 1 2 233.315 1.970 20 0 BDADLO CC[C@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000348099330 136036377 /nfs/dbraw/zinc/03/63/77/136036377.db2.gz WOYOJDCLJQYXCG-QMMMGPOBSA-N 1 2 249.236 1.730 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)nn1 ZINC000348183164 136044187 /nfs/dbraw/zinc/04/41/87/136044187.db2.gz ASBDAVQNLJKVPH-CMPLNLGQSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)nn1 ZINC000348183164 136044188 /nfs/dbraw/zinc/04/41/88/136044188.db2.gz ASBDAVQNLJKVPH-CMPLNLGQSA-N 1 2 238.335 1.062 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC12CCC2 ZINC000335351702 136069138 /nfs/dbraw/zinc/06/91/38/136069138.db2.gz YTYFNFCQGMBPKK-UHFFFAOYSA-N 1 2 219.288 1.428 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1[nH]ccc1C ZINC000348416913 136078125 /nfs/dbraw/zinc/07/81/25/136078125.db2.gz REHBFPRKVMOTQT-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO CC1=CCC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000335367759 136082018 /nfs/dbraw/zinc/08/20/18/136082018.db2.gz XMXIGLXPDLBFDI-UHFFFAOYSA-N 1 2 232.331 1.845 20 0 BDADLO CC1=CCC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000335367759 136082019 /nfs/dbraw/zinc/08/20/19/136082019.db2.gz XMXIGLXPDLBFDI-UHFFFAOYSA-N 1 2 232.331 1.845 20 0 BDADLO Cc1cccc2[nH+]cc(CN3CCOC[C@@H]3C)n21 ZINC000335391307 136091018 /nfs/dbraw/zinc/09/10/18/136091018.db2.gz MPGVFZLAOWLNEA-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2ncc(C[N@H+]3CCOC[C@@H]3C)n21 ZINC000335391307 136091019 /nfs/dbraw/zinc/09/10/19/136091019.db2.gz MPGVFZLAOWLNEA-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccc2ncc(C[N@@H+]3CCOC[C@@H]3C)n21 ZINC000335391307 136091020 /nfs/dbraw/zinc/09/10/20/136091020.db2.gz MPGVFZLAOWLNEA-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335546970 136097129 /nfs/dbraw/zinc/09/71/29/136097129.db2.gz AIUAVTBOMFLWNZ-NSHDSACASA-N 1 2 249.358 1.950 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335548651 136097478 /nfs/dbraw/zinc/09/74/78/136097478.db2.gz PUSCEJBPZDYZHO-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCC(=O)C2)c[nH+]1 ZINC000335554462 136099036 /nfs/dbraw/zinc/09/90/36/136099036.db2.gz VMEXFMYCIJPGCS-LLVKDONJSA-N 1 2 246.310 1.684 20 0 BDADLO O=C(NC1(CF)CCC1)c1ccc2[nH+]ccn2c1 ZINC000335554832 136099181 /nfs/dbraw/zinc/09/91/81/136099181.db2.gz SODHCJXJYUAJFX-UHFFFAOYSA-N 1 2 247.273 1.956 20 0 BDADLO CN(C(=O)[C@H]([NH3+])c1cscn1)[C@@H]1CC1(C)C ZINC000335565492 136107639 /nfs/dbraw/zinc/10/76/39/136107639.db2.gz YYTNAHGAOHLHDA-RKDXNWHRSA-N 1 2 239.344 1.400 20 0 BDADLO CCCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000348636480 136114486 /nfs/dbraw/zinc/11/44/86/136114486.db2.gz QLVPQKDIIQBQKJ-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C)CC1 ZINC000348636733 136114495 /nfs/dbraw/zinc/11/44/95/136114495.db2.gz SGXBNVZRILUGDA-VIFPVBQESA-N 1 2 207.277 1.188 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCOCC2)s1 ZINC000680051857 487528718 /nfs/dbraw/zinc/52/87/18/487528718.db2.gz WHHZUEWCVKWBKX-UHFFFAOYSA-N 1 2 227.333 1.323 20 0 BDADLO CCc1nnc(C[N@H+]2CCCOCC2)s1 ZINC000680051857 487528721 /nfs/dbraw/zinc/52/87/21/487528721.db2.gz WHHZUEWCVKWBKX-UHFFFAOYSA-N 1 2 227.333 1.323 20 0 BDADLO CC[C@H](O)[C@H](CC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493267578 397927894 /nfs/dbraw/zinc/92/78/94/397927894.db2.gz YYQLZMOTIDPLMW-QEBMPYFUSA-N 1 2 237.303 1.089 20 0 BDADLO Cc1cncc(CC[N@@H+](C)Cc2ccon2)n1 ZINC000649539045 397932852 /nfs/dbraw/zinc/93/28/52/397932852.db2.gz ILDQSTMGBVMVNE-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1cncc(CC[N@H+](C)Cc2ccon2)n1 ZINC000649539045 397932854 /nfs/dbraw/zinc/93/28/54/397932854.db2.gz ILDQSTMGBVMVNE-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CCc1cc(NC[C@@H](OC)C2CC2)nc[nH+]1 ZINC000382317538 397934172 /nfs/dbraw/zinc/93/41/72/397934172.db2.gz RZTFQPYGKVCFMH-LLVKDONJSA-N 1 2 221.304 1.298 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000448695348 397936259 /nfs/dbraw/zinc/93/62/59/397936259.db2.gz WAMUTZIKPUFVNV-AAEUAGOBSA-N 1 2 235.331 1.826 20 0 BDADLO O=C1N=NC(C2CC[NH+](CC(F)F)CC2)O1 ZINC000649546755 397937660 /nfs/dbraw/zinc/93/76/60/397937660.db2.gz NZSYTXAFQZCMHP-UHFFFAOYSA-N 1 2 233.218 1.220 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccoc1C ZINC000414441447 397939227 /nfs/dbraw/zinc/93/92/27/397939227.db2.gz YZFIUKMLIWVSDX-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccoc1C ZINC000414441447 397939230 /nfs/dbraw/zinc/93/92/30/397939230.db2.gz YZFIUKMLIWVSDX-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CCC(=O)N1 ZINC000649552860 397944018 /nfs/dbraw/zinc/94/40/18/397944018.db2.gz ZFBQZUMVNAMCEX-QMMMGPOBSA-N 1 2 220.263 1.241 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CCC(=O)N1 ZINC000649552860 397944020 /nfs/dbraw/zinc/94/40/20/397944020.db2.gz ZFBQZUMVNAMCEX-QMMMGPOBSA-N 1 2 220.263 1.241 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCn1cccc1 ZINC000267274200 397946018 /nfs/dbraw/zinc/94/60/18/397946018.db2.gz NDGUNSINZFUGTM-UHFFFAOYSA-N 1 2 242.286 1.277 20 0 BDADLO [NH3+]C[C@H]1CC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000382408633 397947118 /nfs/dbraw/zinc/94/71/18/397947118.db2.gz CHXRFUYHAJNOPD-IONNQARKSA-N 1 2 238.360 1.377 20 0 BDADLO CCc1nsc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000382484237 397951597 /nfs/dbraw/zinc/95/15/97/397951597.db2.gz GHIHOLINUVEBPX-YUMQZZPRSA-N 1 2 226.349 1.204 20 0 BDADLO Nc1c(NC2CCC2)[nH+]cnc1-n1cccn1 ZINC000269616496 397957897 /nfs/dbraw/zinc/95/78/97/397957897.db2.gz LRGGOMCWDODSPA-UHFFFAOYSA-N 1 2 230.275 1.209 20 0 BDADLO C[C@H](CC(=O)N1C2CCC1CC2)n1cc[nH+]c1 ZINC000649569561 397959025 /nfs/dbraw/zinc/95/90/25/397959025.db2.gz RCKZTMHQIWMIDU-VOMCLLRMSA-N 1 2 233.315 1.988 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccn(C)c1 ZINC000353134642 397968470 /nfs/dbraw/zinc/96/84/70/397968470.db2.gz HQALLEMNVXWESG-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccn(C)c1 ZINC000353134642 397968474 /nfs/dbraw/zinc/96/84/74/397968474.db2.gz HQALLEMNVXWESG-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000492821966 397898851 /nfs/dbraw/zinc/89/88/51/397898851.db2.gz GEOJIJQLPXHXJJ-XTDHWIJXSA-N 1 2 231.299 1.681 20 0 BDADLO CS[C@H]1CCCC[N@H+](CCc2cnn[nH]2)C1 ZINC000590605258 397906105 /nfs/dbraw/zinc/90/61/05/397906105.db2.gz GRHGWOJXFYCFRM-NSHDSACASA-N 1 2 240.376 1.565 20 0 BDADLO CS[C@H]1CCCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000590605258 397906106 /nfs/dbraw/zinc/90/61/06/397906106.db2.gz GRHGWOJXFYCFRM-NSHDSACASA-N 1 2 240.376 1.565 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000590662198 397909121 /nfs/dbraw/zinc/90/91/21/397909121.db2.gz OBSSCKZYXKIAQG-WHOHXGKFSA-N 1 2 243.347 1.872 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N(C)C(C)C)CC2 ZINC000364804105 397913264 /nfs/dbraw/zinc/91/32/64/397913264.db2.gz GLALIGQGMNJOPI-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO CCc1cccc(Cl)c1C[N@H+](C)CC(N)=O ZINC000355602778 397915715 /nfs/dbraw/zinc/91/57/15/397915715.db2.gz VVDNUQXVIWVKGF-UHFFFAOYSA-N 1 2 240.734 1.820 20 0 BDADLO CCc1cccc(Cl)c1C[N@@H+](C)CC(N)=O ZINC000355602778 397915720 /nfs/dbraw/zinc/91/57/20/397915720.db2.gz VVDNUQXVIWVKGF-UHFFFAOYSA-N 1 2 240.734 1.820 20 0 BDADLO CCC[C@@H](CNc1ccc(OC)c[nH+]1)OC ZINC000382181151 397919086 /nfs/dbraw/zinc/91/90/86/397919086.db2.gz ZKNZAJQRZYGAQB-JTQLQIEISA-N 1 2 224.304 1.739 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000355785607 397922874 /nfs/dbraw/zinc/92/28/74/397922874.db2.gz ABQFUNZGSLDVDA-CABZTGNLSA-N 1 2 236.315 1.812 20 0 BDADLO CCOC(=O)[C@@H](C)N(C)c1[nH+]ccc2[nH]ccc21 ZINC000596158791 397998074 /nfs/dbraw/zinc/99/80/74/397998074.db2.gz ACSZZCBYROHKST-SECBINFHSA-N 1 2 247.298 1.951 20 0 BDADLO COCc1cc[nH+]c(NCc2ccn(C)n2)c1 ZINC000650243597 398006745 /nfs/dbraw/zinc/00/67/45/398006745.db2.gz GVKSTNHNIWQBIQ-UHFFFAOYSA-N 1 2 232.287 1.574 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)on1 ZINC000275082143 398019478 /nfs/dbraw/zinc/01/94/78/398019478.db2.gz DTBFMMVDZWQEPU-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1nc(N(CCO)Cc2ccccc2)cc[nH+]1 ZINC000054937163 398019580 /nfs/dbraw/zinc/01/95/80/398019580.db2.gz YSBPGVAGXVCRBQ-UHFFFAOYSA-N 1 2 243.310 1.784 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]23CCOC3=O)on1 ZINC000275082143 398019480 /nfs/dbraw/zinc/01/94/80/398019480.db2.gz DTBFMMVDZWQEPU-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)C(C)(F)F ZINC000356511358 398020758 /nfs/dbraw/zinc/02/07/58/398020758.db2.gz WNNFCOIUJYIBOP-SSDOTTSWSA-N 1 2 231.246 1.328 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1C/C=C/Cl ZINC000276738107 398024098 /nfs/dbraw/zinc/02/40/98/398024098.db2.gz CQCBJIIKRIETNA-UFUPEUMYSA-N 1 2 212.684 1.407 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1C/C=C/Cl ZINC000276738107 398024103 /nfs/dbraw/zinc/02/41/03/398024103.db2.gz CQCBJIIKRIETNA-UFUPEUMYSA-N 1 2 212.684 1.407 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccn(C)c1 ZINC000334677771 398029329 /nfs/dbraw/zinc/02/93/29/398029329.db2.gz SAQAFWJWWYSPJH-UHFFFAOYSA-N 1 2 215.256 1.403 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000451323669 397972007 /nfs/dbraw/zinc/97/20/07/397972007.db2.gz IZEDUSRCZRTVHV-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000451323669 397972013 /nfs/dbraw/zinc/97/20/13/397972013.db2.gz IZEDUSRCZRTVHV-SECBINFHSA-N 1 2 240.376 1.865 20 0 BDADLO C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1cn[nH]c1 ZINC000649585486 397973041 /nfs/dbraw/zinc/97/30/41/397973041.db2.gz XPHMZQXXFJLMOA-JTQLQIEISA-N 1 2 245.330 1.793 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000649588763 397979945 /nfs/dbraw/zinc/97/99/45/397979945.db2.gz AANXCDIEQPFJCO-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000649588763 397979948 /nfs/dbraw/zinc/97/99/48/397979948.db2.gz AANXCDIEQPFJCO-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000369621010 397984805 /nfs/dbraw/zinc/98/48/05/397984805.db2.gz HXELSFWCBKGYJL-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCCOCC1 ZINC000369621010 397984809 /nfs/dbraw/zinc/98/48/09/397984809.db2.gz HXELSFWCBKGYJL-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000595302856 397987494 /nfs/dbraw/zinc/98/74/94/397987494.db2.gz MIWWXQMETSYNPQ-BDAKNGLRSA-N 1 2 249.257 1.048 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000595302856 397987498 /nfs/dbraw/zinc/98/74/98/397987498.db2.gz MIWWXQMETSYNPQ-BDAKNGLRSA-N 1 2 249.257 1.048 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cnns1 ZINC000649718302 398060076 /nfs/dbraw/zinc/06/00/76/398060076.db2.gz XIQANTWTZJFPOH-SECBINFHSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cnns1 ZINC000649718302 398060079 /nfs/dbraw/zinc/06/00/79/398060079.db2.gz XIQANTWTZJFPOH-SECBINFHSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](CC)CO1 ZINC000649719644 398062274 /nfs/dbraw/zinc/06/22/74/398062274.db2.gz UMWOUJZOSKFETM-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](CC)CO1 ZINC000649719644 398062279 /nfs/dbraw/zinc/06/22/79/398062279.db2.gz UMWOUJZOSKFETM-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ncccn1 ZINC000649717641 398063997 /nfs/dbraw/zinc/06/39/97/398063997.db2.gz JHWKKOYCADMKTP-LLVKDONJSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ncccn1 ZINC000649717641 398064000 /nfs/dbraw/zinc/06/40/00/398064000.db2.gz JHWKKOYCADMKTP-LLVKDONJSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccno2)[C@H](C)CO1 ZINC000649729664 398067959 /nfs/dbraw/zinc/06/79/59/398067959.db2.gz DCYTXEOZWNJICR-ZJUUUORDSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccno2)[C@H](C)CO1 ZINC000649729664 398067961 /nfs/dbraw/zinc/06/79/61/398067961.db2.gz DCYTXEOZWNJICR-ZJUUUORDSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@H](C)CO1 ZINC000649731337 398071071 /nfs/dbraw/zinc/07/10/71/398071071.db2.gz GGMHYCVBONDDSV-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@H](C)CO1 ZINC000649731337 398071072 /nfs/dbraw/zinc/07/10/72/398071072.db2.gz GGMHYCVBONDDSV-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(C)c2)[C@H](C)CO1 ZINC000649732177 398072785 /nfs/dbraw/zinc/07/27/85/398072785.db2.gz TXSRIGDEMUASPB-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@H](C)CO1 ZINC000649732177 398072787 /nfs/dbraw/zinc/07/27/87/398072787.db2.gz TXSRIGDEMUASPB-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000491800323 398072932 /nfs/dbraw/zinc/07/29/32/398072932.db2.gz AMVLTXWIOQFNGW-GDNZZTSVSA-N 1 2 248.330 1.371 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000491800324 398074276 /nfs/dbraw/zinc/07/42/76/398074276.db2.gz AMVLTXWIOQFNGW-ZSBIGDGJSA-N 1 2 248.330 1.371 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/C1CC1 ZINC000491905086 398076777 /nfs/dbraw/zinc/07/67/77/398076777.db2.gz DANFYNUZQIIBAW-SNAWJCMRSA-N 1 2 205.261 1.334 20 0 BDADLO Cc1noc(C(C)(C)NC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000285653326 398079540 /nfs/dbraw/zinc/07/95/40/398079540.db2.gz HAWBFPDENYGEPJ-UHFFFAOYSA-N 1 2 249.274 1.075 20 0 BDADLO Cc1ccc(CN2CCn3c[nH+]cc3C2)o1 ZINC000291563343 398094888 /nfs/dbraw/zinc/09/48/88/398094888.db2.gz NHVZUJUQYOXIKJ-UHFFFAOYSA-N 1 2 217.272 1.800 20 0 BDADLO CC[N@H+](Cc1nnc(C)[nH]1)[C@H]1CCCOC1 ZINC000649755448 398086364 /nfs/dbraw/zinc/08/63/64/398086364.db2.gz ODMOMSCTVFARCK-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO CC[N@@H+](Cc1nnc(C)[nH]1)[C@H]1CCCOC1 ZINC000649755448 398086366 /nfs/dbraw/zinc/08/63/66/398086366.db2.gz ODMOMSCTVFARCK-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO CC[N@H+](Cc1csnn1)[C@H]1CCCOC1 ZINC000649755713 398086388 /nfs/dbraw/zinc/08/63/88/398086388.db2.gz VPRPEOSKRTWHOR-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@@H+](Cc1csnn1)[C@H]1CCCOC1 ZINC000649755713 398086391 /nfs/dbraw/zinc/08/63/91/398086391.db2.gz VPRPEOSKRTWHOR-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3nccs3)C2)c1 ZINC000291211040 398090899 /nfs/dbraw/zinc/09/08/99/398090899.db2.gz IMGYPRIENIUMRQ-JTQLQIEISA-N 1 2 234.328 1.787 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3nccs3)C2)c1 ZINC000291211040 398090901 /nfs/dbraw/zinc/09/09/01/398090901.db2.gz IMGYPRIENIUMRQ-JTQLQIEISA-N 1 2 234.328 1.787 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000649702976 398051247 /nfs/dbraw/zinc/05/12/47/398051247.db2.gz RSKLWGQUXXFPDC-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000649702976 398051249 /nfs/dbraw/zinc/05/12/49/398051249.db2.gz RSKLWGQUXXFPDC-NSHDSACASA-N 1 2 238.335 1.205 20 0 BDADLO CCn1ccc(CC(=O)Nc2cc[nH+]cc2C)n1 ZINC000649704505 398052512 /nfs/dbraw/zinc/05/25/12/398052512.db2.gz JXMOXYCBUGWBNJ-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO OCc1cc[nH+]c(N2CCC=C(F)C2)c1 ZINC000383969971 398054836 /nfs/dbraw/zinc/05/48/36/398054836.db2.gz DSWREGXSEBWNOW-UHFFFAOYSA-N 1 2 208.236 1.637 20 0 BDADLO CCc1ccc(C[NH2+][C@H](C)c2nncn2C)o1 ZINC000051723220 398058507 /nfs/dbraw/zinc/05/85/07/398058507.db2.gz TWBLCWPNYIREKK-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO FC(F)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649784746 398100661 /nfs/dbraw/zinc/10/06/61/398100661.db2.gz IJZGAZJZYGLKFV-UHFFFAOYSA-N 1 2 230.262 1.255 20 0 BDADLO CSCCN(C)c1nc(C)[nH+]cc1C ZINC000521462966 398098133 /nfs/dbraw/zinc/09/81/33/398098133.db2.gz SVXXJINHRROIBB-UHFFFAOYSA-N 1 2 211.334 1.893 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245417878 398115725 /nfs/dbraw/zinc/11/57/25/398115725.db2.gz AJKGGGJNINMPBU-GDNZZTSVSA-N 1 2 233.315 1.436 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649211434 398129410 /nfs/dbraw/zinc/12/94/10/398129410.db2.gz KVHCGWPUPWNSJJ-VXGBXAGGSA-N 1 2 249.358 1.950 20 0 BDADLO CC(C)CNc1nc[nH+]c(N)c1Cl ZINC000227840848 167019334 /nfs/dbraw/zinc/01/93/34/167019334.db2.gz IOHSXPKTDGNVHZ-UHFFFAOYSA-N 1 2 200.673 1.780 20 0 BDADLO CC(C)CNc1[nH+]cnc(N)c1Cl ZINC000227840848 167019336 /nfs/dbraw/zinc/01/93/36/167019336.db2.gz IOHSXPKTDGNVHZ-UHFFFAOYSA-N 1 2 200.673 1.780 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1c(F)cccc1F ZINC000035136148 167059301 /nfs/dbraw/zinc/05/93/01/167059301.db2.gz FNCMUJOHEGOSPY-UHFFFAOYSA-N 1 2 242.269 1.579 20 0 BDADLO COCC[N@H+](CCC[C@@H](C)O)CC(F)F ZINC000354881896 174291247 /nfs/dbraw/zinc/29/12/47/174291247.db2.gz QFUMTBAXGITUFG-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO COCC[N@@H+](CCC[C@@H](C)O)CC(F)F ZINC000354881896 174291249 /nfs/dbraw/zinc/29/12/49/174291249.db2.gz QFUMTBAXGITUFG-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000667464441 487561589 /nfs/dbraw/zinc/56/15/89/487561589.db2.gz RITIUKRPMSNANK-PHIMTYICSA-N 1 2 235.331 1.439 20 0 BDADLO FC1(F)CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000259420870 487563909 /nfs/dbraw/zinc/56/39/09/487563909.db2.gz SYQBGUYWXZEKBU-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000259420870 487563920 /nfs/dbraw/zinc/56/39/20/487563920.db2.gz SYQBGUYWXZEKBU-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO CN(CCOCC1CC1)c1cc(CO)cc[nH+]1 ZINC000094992065 487567452 /nfs/dbraw/zinc/56/74/52/487567452.db2.gz ZWABGWVIOLFHSW-UHFFFAOYSA-N 1 2 236.315 1.437 20 0 BDADLO C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000674422240 487573752 /nfs/dbraw/zinc/57/37/52/487573752.db2.gz WTEZPGDXAZCZJK-NSHDSACASA-N 1 2 221.304 1.674 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2oc(C)nc2C)CCO1 ZINC000670991175 487582014 /nfs/dbraw/zinc/58/20/14/487582014.db2.gz XWZMBWWXCPEOQI-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2oc(C)nc2C)CCO1 ZINC000670991175 487582019 /nfs/dbraw/zinc/58/20/19/487582019.db2.gz XWZMBWWXCPEOQI-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000674467636 487584035 /nfs/dbraw/zinc/58/40/35/487584035.db2.gz FWGHBWLZTCVEEU-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000674467636 487584040 /nfs/dbraw/zinc/58/40/40/487584040.db2.gz FWGHBWLZTCVEEU-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1(C2CC2)CC1 ZINC000530288252 487594816 /nfs/dbraw/zinc/59/48/16/487594816.db2.gz AMKKNOIYIQBLDH-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1(C2CC2)CC1 ZINC000530288252 487594819 /nfs/dbraw/zinc/59/48/19/487594819.db2.gz AMKKNOIYIQBLDH-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CCC1 ZINC000661412763 487598306 /nfs/dbraw/zinc/59/83/06/487598306.db2.gz JBKABMPYGYUREH-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CCC1 ZINC000661412763 487598311 /nfs/dbraw/zinc/59/83/11/487598311.db2.gz JBKABMPYGYUREH-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H](CC(=O)NCCc1ccco1)n1cc[nH+]c1 ZINC000556704020 322920041 /nfs/dbraw/zinc/92/00/41/322920041.db2.gz VGZPAYDWHYAQRO-NSHDSACASA-N 1 2 247.298 1.786 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2c[nH]nc2C)cn1 ZINC000680481232 487603812 /nfs/dbraw/zinc/60/38/12/487603812.db2.gz YQYMCDUETOKWRT-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2c[nH]nc2C)cn1 ZINC000680481232 487603815 /nfs/dbraw/zinc/60/38/15/487603815.db2.gz YQYMCDUETOKWRT-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO O=C(C1CC(F)(F)C1)N1CC(n2cc[nH+]c2)C1 ZINC000674684375 487605292 /nfs/dbraw/zinc/60/52/92/487605292.db2.gz FRUNGPNMAYJSJX-UHFFFAOYSA-N 1 2 241.241 1.312 20 0 BDADLO COC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660756366 487608468 /nfs/dbraw/zinc/60/84/68/487608468.db2.gz AFESFFVOHREJBB-LLVKDONJSA-N 1 2 238.335 1.096 20 0 BDADLO COC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660756366 487608473 /nfs/dbraw/zinc/60/84/73/487608473.db2.gz AFESFFVOHREJBB-LLVKDONJSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOCC(C)C)s1 ZINC000662255942 409550823 /nfs/dbraw/zinc/55/08/23/409550823.db2.gz GVVXEAGTTHNDOO-UHFFFAOYSA-N 1 2 243.376 1.951 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOCC(C)C)s1 ZINC000662255942 409550840 /nfs/dbraw/zinc/55/08/40/409550840.db2.gz GVVXEAGTTHNDOO-UHFFFAOYSA-N 1 2 243.376 1.951 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@](C)(C(F)F)C1 ZINC000662369350 409678676 /nfs/dbraw/zinc/67/86/76/409678676.db2.gz QLYSNTGHGSTPPH-NSHDSACASA-N 1 2 245.273 1.276 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3conc3C)C2)n[nH]1 ZINC000660804982 409766643 /nfs/dbraw/zinc/76/66/43/409766643.db2.gz ITHJJYLWILUGFT-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3conc3C)C2)n[nH]1 ZINC000660804982 409766647 /nfs/dbraw/zinc/76/66/47/409766647.db2.gz ITHJJYLWILUGFT-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO CCN(C(=O)CCc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC000655333373 409909040 /nfs/dbraw/zinc/90/90/40/409909040.db2.gz MZYNQRMKCWPXTL-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO CCN(C(=O)CCc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000655333373 409909046 /nfs/dbraw/zinc/90/90/46/409909046.db2.gz MZYNQRMKCWPXTL-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO COC(=O)[C@H](C)CSCc1c[nH+]cn1C ZINC000085191492 409915512 /nfs/dbraw/zinc/91/55/12/409915512.db2.gz FGLZOGVABCEROP-MRVPVSSYSA-N 1 2 228.317 1.462 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)Cc2ccccn2)c[nH+]1 ZINC000655307465 409882888 /nfs/dbraw/zinc/88/28/88/409882888.db2.gz BSVKFRYZYGYMCE-VIFPVBQESA-N 1 2 244.298 1.474 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(OC)no2)[C@H](C)CO1 ZINC000660915334 409964373 /nfs/dbraw/zinc/96/43/73/409964373.db2.gz ZKHSHAMGEBRVTF-ZJUUUORDSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(OC)no2)[C@H](C)CO1 ZINC000660915334 409964378 /nfs/dbraw/zinc/96/43/78/409964378.db2.gz ZKHSHAMGEBRVTF-ZJUUUORDSA-N 1 2 240.303 1.683 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCCOCC2)n1 ZINC000363436737 410005962 /nfs/dbraw/zinc/00/59/62/410005962.db2.gz NYAAVCGPUQPKEA-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCCOCC2)n1 ZINC000363436737 410005969 /nfs/dbraw/zinc/00/59/69/410005969.db2.gz NYAAVCGPUQPKEA-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO C[C@@H](NC(=O)CC1(C)CC1)c1[nH]cc[nH+]1 ZINC000401268184 487613398 /nfs/dbraw/zinc/61/33/98/487613398.db2.gz KLBNDFXLLALUKG-MRVPVSSYSA-N 1 2 207.277 1.777 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(F)(F)F ZINC000665944142 487613425 /nfs/dbraw/zinc/61/34/25/487613425.db2.gz GNICSWROWPXLPP-RNFRBKRXSA-N 1 2 247.220 1.202 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1[nH]cc[nH+]1 ZINC000655401982 410205575 /nfs/dbraw/zinc/20/55/75/410205575.db2.gz OTHUSZRLFDBZSF-RGOKHQFPSA-N 1 2 247.298 1.202 20 0 BDADLO CCn1ccc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000655402993 410208786 /nfs/dbraw/zinc/20/87/86/410208786.db2.gz VVYXTUWRAFRRRA-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccc(C)c1F ZINC000296799405 169743539 /nfs/dbraw/zinc/74/35/39/169743539.db2.gz MNIYIECZEQWPDH-UHFFFAOYSA-N 1 2 224.279 1.441 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccc(C)c1F ZINC000296799405 169743540 /nfs/dbraw/zinc/74/35/40/169743540.db2.gz MNIYIECZEQWPDH-UHFFFAOYSA-N 1 2 224.279 1.441 20 0 BDADLO C[C@@H](NC(=O)Cc1cccs1)c1[nH]cc[nH+]1 ZINC000125406567 410316197 /nfs/dbraw/zinc/31/61/97/410316197.db2.gz GMJVUCREYJMKQY-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccn(C)c1C ZINC000650787648 410435687 /nfs/dbraw/zinc/43/56/87/410435687.db2.gz NPOQPTQKUORLCG-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO Cc1cc(N2C[C@@H](C)C(O)[C@H](C)C2)nc[nH+]1 ZINC000664348574 410565339 /nfs/dbraw/zinc/56/53/39/410565339.db2.gz RLWNWWUUMDZPDF-RKDXNWHRSA-N 1 2 221.304 1.238 20 0 BDADLO Cn1cc[nH+]c1CN1c2ccccc2C[C@@H]1CO ZINC000661367555 410587782 /nfs/dbraw/zinc/58/77/82/410587782.db2.gz ZHSCIHVDUSBFMD-GFCCVEGCSA-N 1 2 243.310 1.344 20 0 BDADLO Cc1cncc(CCNc2cc(C)[nH+]cn2)n1 ZINC000664485336 410588893 /nfs/dbraw/zinc/58/88/93/410588893.db2.gz AENZVCDNQVHARF-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BDADLO Cc1nc(N2CC[C@@H]3COC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000664555633 410600031 /nfs/dbraw/zinc/60/00/31/410600031.db2.gz GYOJVVZQSSRQEV-OLZOCXBDSA-N 1 2 247.342 1.875 20 0 BDADLO O=C1CCCN1C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000664564424 410603002 /nfs/dbraw/zinc/60/30/02/410603002.db2.gz CVEOFBYGRZQJCW-LBPRGKRZSA-N 1 2 245.326 1.530 20 0 BDADLO COCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981943 410660943 /nfs/dbraw/zinc/66/09/43/410660943.db2.gz LMWCXAZVEOSUSE-UHFFFAOYSA-N 1 2 233.271 1.553 20 0 BDADLO C/C=C/CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000624656657 410673676 /nfs/dbraw/zinc/67/36/76/410673676.db2.gz XFWCJZZHEWVIGN-CDAZIORVSA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C/CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000624656657 410673682 /nfs/dbraw/zinc/67/36/82/410673682.db2.gz XFWCJZZHEWVIGN-CDAZIORVSA-N 1 2 222.292 1.257 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@@](C)(CO)C2)c(C)c(C)[nH+]1 ZINC000664599378 410611206 /nfs/dbraw/zinc/61/12/06/410611206.db2.gz WHACIYYVRXHISO-YMTOWFKASA-N 1 2 249.358 1.857 20 0 BDADLO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661421083 410640203 /nfs/dbraw/zinc/64/02/03/410640203.db2.gz AOXNGWNSZAEQLQ-IUCAKERBSA-N 1 2 241.360 1.708 20 0 BDADLO c1nc(C[N@@H+]2CCCc3n[nH]cc3C2)cs1 ZINC000664864058 410640523 /nfs/dbraw/zinc/64/05/23/410640523.db2.gz BCQDDWHZLWKELB-UHFFFAOYSA-N 1 2 234.328 1.815 20 0 BDADLO c1nc(C[N@H+]2CCCc3n[nH]cc3C2)cs1 ZINC000664864058 410640527 /nfs/dbraw/zinc/64/05/27/410640527.db2.gz BCQDDWHZLWKELB-UHFFFAOYSA-N 1 2 234.328 1.815 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000650960146 410654577 /nfs/dbraw/zinc/65/45/77/410654577.db2.gz RIMSZIBKCMAUEN-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000665059361 410684257 /nfs/dbraw/zinc/68/42/57/410684257.db2.gz ZHBRDMWOFYTVMP-UHFFFAOYSA-N 1 2 244.747 1.789 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1cscn1)C(N)=O ZINC000393617072 410750913 /nfs/dbraw/zinc/75/09/13/410750913.db2.gz HKIDZIVNEQAPOE-RQJHMYQMSA-N 1 2 213.306 1.058 20 0 BDADLO C[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000040864078 410896266 /nfs/dbraw/zinc/89/62/66/410896266.db2.gz QLUCFEZSFIKKLZ-JTQLQIEISA-N 1 2 206.289 1.810 20 0 BDADLO CC(C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276159523 167018715 /nfs/dbraw/zinc/01/87/15/167018715.db2.gz JUZLBMAHVRGJPO-UHFFFAOYSA-N 1 2 220.280 1.013 20 0 BDADLO CC(C)NC(=O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000298121393 167049820 /nfs/dbraw/zinc/04/98/20/167049820.db2.gz ANCTZVVKGRWLPG-UHFFFAOYSA-N 1 2 246.314 1.524 20 0 BDADLO CC(C)OCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000368627835 167238304 /nfs/dbraw/zinc/23/83/04/167238304.db2.gz YDZISUFKVHLVJM-UHFFFAOYSA-N 1 2 246.314 1.526 20 0 BDADLO COc1cccc(C[NH2+]Cc2conc2C)n1 ZINC000397916928 410937872 /nfs/dbraw/zinc/93/78/72/410937872.db2.gz KWUVTRRZXKNWHA-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CC(C)[C@@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000067793262 167355678 /nfs/dbraw/zinc/35/56/78/167355678.db2.gz FTKAPUMQLXJCCT-NSHDSACASA-N 1 2 223.320 1.682 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1cn[nH]c1)n1cc[nH+]c1 ZINC000651343974 410926734 /nfs/dbraw/zinc/92/67/34/410926734.db2.gz MDZNFEYELVRXHP-SNVBAGLBSA-N 1 2 247.302 1.216 20 0 BDADLO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1c[nH]nn1)C2 ZINC000398421226 410964103 /nfs/dbraw/zinc/96/41/03/410964103.db2.gz YNEPMANYWXIZBO-LLVKDONJSA-N 1 2 248.717 1.715 20 0 BDADLO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1cn[nH]n1)C2 ZINC000398421226 410964108 /nfs/dbraw/zinc/96/41/08/410964108.db2.gz YNEPMANYWXIZBO-LLVKDONJSA-N 1 2 248.717 1.715 20 0 BDADLO COC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364330737 411068177 /nfs/dbraw/zinc/06/81/77/411068177.db2.gz WGEYWUUNVUGSGW-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO COC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000364330737 411068181 /nfs/dbraw/zinc/06/81/81/411068181.db2.gz WGEYWUUNVUGSGW-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO CCc1cc(NC[C@H](CC)C(=O)OC)nc[nH+]1 ZINC000591977624 411131967 /nfs/dbraw/zinc/13/19/67/411131967.db2.gz ZLCBFWLDISIEBX-VIFPVBQESA-N 1 2 237.303 1.072 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2nccs2)c2[nH+]ccn21 ZINC000652157363 411163438 /nfs/dbraw/zinc/16/34/38/411163438.db2.gz RLAVZZOOVJYIRG-SFYZADRCSA-N 1 2 248.311 1.775 20 0 BDADLO COC[C@H](CC(C)(C)C)[NH2+]CC(F)(F)CO ZINC000651764281 411142656 /nfs/dbraw/zinc/14/26/56/411142656.db2.gz OWPVTKVLKSWOHI-VIFPVBQESA-N 1 2 239.306 1.655 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000045752125 411148879 /nfs/dbraw/zinc/14/88/79/411148879.db2.gz HQFAZEMCYQUYOL-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000045752125 411148880 /nfs/dbraw/zinc/14/88/80/411148880.db2.gz HQFAZEMCYQUYOL-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651897355 411149249 /nfs/dbraw/zinc/14/92/49/411149249.db2.gz YTCLCNGRXMXVKC-UHFFFAOYSA-N 1 2 233.315 1.240 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1C[C@@H]1C ZINC000656108708 411179884 /nfs/dbraw/zinc/17/98/84/411179884.db2.gz OPXGIAAKGOQTFA-IONNQARKSA-N 1 2 207.277 1.862 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCCOC1 ZINC000656110964 411180422 /nfs/dbraw/zinc/18/04/22/411180422.db2.gz ZRTRETQRNMRISF-JTQLQIEISA-N 1 2 237.303 1.632 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)Cc1ccccn1 ZINC000656111062 411180602 /nfs/dbraw/zinc/18/06/02/411180602.db2.gz ATCUTCLLVZEMKJ-UHFFFAOYSA-N 1 2 244.298 1.825 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCn2nncc2C1 ZINC000653794270 411180701 /nfs/dbraw/zinc/18/07/01/411180701.db2.gz NZCQVNIZMXWVIA-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCn2nncc2C1 ZINC000653794270 411180705 /nfs/dbraw/zinc/18/07/05/411180705.db2.gz NZCQVNIZMXWVIA-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO COC[C@H](C)CNc1nc[nH+]c(C)c1OC ZINC000656112336 411181668 /nfs/dbraw/zinc/18/16/68/411181668.db2.gz LBSQTKGZYGPMAX-MRVPVSSYSA-N 1 2 225.292 1.488 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)Cc1cc[nH]n1 ZINC000656125406 411183201 /nfs/dbraw/zinc/18/32/01/411183201.db2.gz ITMDYTAWXIBUHZ-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO COC[C@H]1CCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656128504 411183830 /nfs/dbraw/zinc/18/38/30/411183830.db2.gz VBYIBDMXYKPEDJ-JTQLQIEISA-N 1 2 237.303 1.266 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](C)C[C@H](C)O ZINC000656128387 411184183 /nfs/dbraw/zinc/18/41/83/411184183.db2.gz QUSXQOBRNGAKHL-IUCAKERBSA-N 1 2 239.319 1.613 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000656128836 411184346 /nfs/dbraw/zinc/18/43/46/411184346.db2.gz DQOQSTTXHXSUTR-AOOOYVTPSA-N 1 2 233.315 1.886 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@@H](O)C1CC1 ZINC000656140287 411185631 /nfs/dbraw/zinc/18/56/31/411185631.db2.gz SYQJOKSZMMHMPD-SNVBAGLBSA-N 1 2 237.303 1.001 20 0 BDADLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC(F)F)CC1 ZINC000653707199 411196312 /nfs/dbraw/zinc/19/63/12/411196312.db2.gz AJVWKYXPUZTAET-SNVBAGLBSA-N 1 2 246.301 1.488 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](F)C1 ZINC000656194508 411198508 /nfs/dbraw/zinc/19/85/08/411198508.db2.gz GXSBKEMEUJNVNV-QMMMGPOBSA-N 1 2 211.240 1.342 20 0 BDADLO CC[C@@H]([NH2+]Cc1noc(C)n1)[C@H]1CCCCO1 ZINC000653878634 411206593 /nfs/dbraw/zinc/20/65/93/411206593.db2.gz BVRUGPMVFFCEEL-GHMZBOCLSA-N 1 2 239.319 1.815 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000066484258 411206666 /nfs/dbraw/zinc/20/66/66/411206666.db2.gz KXEDIJQDQRASGW-VIFPVBQESA-N 1 2 208.261 1.754 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCN(C)C(=O)C1 ZINC000656203572 411207549 /nfs/dbraw/zinc/20/75/49/411207549.db2.gz QTNADNQEOZVHKS-LLVKDONJSA-N 1 2 248.330 1.374 20 0 BDADLO COc1c(N)[nH+]cnc1NC1CC2(CCC2)C1 ZINC000656204707 411208373 /nfs/dbraw/zinc/20/83/73/411208373.db2.gz XYDYEYLAJRPXQR-UHFFFAOYSA-N 1 2 234.303 1.812 20 0 BDADLO COc1c(N)nc[nH+]c1NC1CC2(CCC2)C1 ZINC000656204707 411208374 /nfs/dbraw/zinc/20/83/74/411208374.db2.gz XYDYEYLAJRPXQR-UHFFFAOYSA-N 1 2 234.303 1.812 20 0 BDADLO CCn1cc(CC[N@H+](C)Cc2nc(C)no2)cn1 ZINC000653889067 411209800 /nfs/dbraw/zinc/20/98/00/411209800.db2.gz QGAGVDIYWUFRER-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1cc(CC[N@@H+](C)Cc2nc(C)no2)cn1 ZINC000653889067 411209803 /nfs/dbraw/zinc/20/98/03/411209803.db2.gz QGAGVDIYWUFRER-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659293426 411214505 /nfs/dbraw/zinc/21/45/05/411214505.db2.gz DHQJBRMXQISWEA-PSASIEDQSA-N 1 2 235.287 1.417 20 0 BDADLO C[C@H](O)C[N@H+](Cc1cscn1)C1CC1 ZINC000653897655 411214906 /nfs/dbraw/zinc/21/49/06/411214906.db2.gz RVDXFXOCHUGDON-QMMMGPOBSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1cscn1)C1CC1 ZINC000653897655 411214908 /nfs/dbraw/zinc/21/49/08/411214908.db2.gz RVDXFXOCHUGDON-QMMMGPOBSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@H](O)C[N@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000653902977 411219161 /nfs/dbraw/zinc/21/91/61/411219161.db2.gz BKVUPJNZXSHVTR-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000653902977 411219163 /nfs/dbraw/zinc/21/91/63/411219163.db2.gz BKVUPJNZXSHVTR-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000653902976 411219371 /nfs/dbraw/zinc/21/93/71/411219371.db2.gz BKVUPJNZXSHVTR-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000653902976 411219374 /nfs/dbraw/zinc/21/93/74/411219374.db2.gz BKVUPJNZXSHVTR-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO CCn1cc[nH+]c1CN1CC2(CC2(F)F)C1 ZINC000656265930 411221636 /nfs/dbraw/zinc/22/16/36/411221636.db2.gz OKFHHQNAPRCBEV-UHFFFAOYSA-N 1 2 227.258 1.744 20 0 BDADLO CC(=O)Nc1cnn(Cc2ccc[nH+]c2C)c1 ZINC000655681063 411222583 /nfs/dbraw/zinc/22/25/83/411222583.db2.gz YSALTCWRRJDYHP-UHFFFAOYSA-N 1 2 230.271 1.593 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccoc2)[nH+]1 ZINC000652408651 411231660 /nfs/dbraw/zinc/23/16/60/411231660.db2.gz JGIMFNFFFNIUML-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO Cc1nccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000652410588 411232095 /nfs/dbraw/zinc/23/20/95/411232095.db2.gz BSADVOKMGUJTNY-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO Cn1cc[nH+]c1-c1cnc2c(c1)CCO2 ZINC000656371372 411236714 /nfs/dbraw/zinc/23/67/14/411236714.db2.gz GSIIVFAYQKGFNB-UHFFFAOYSA-N 1 2 201.229 1.417 20 0 BDADLO c1csc(C[NH2+]Cc2cc3n(n2)CCCC3)n1 ZINC000655714853 411268549 /nfs/dbraw/zinc/26/85/49/411268549.db2.gz FJUKBSNSYVJESZ-UHFFFAOYSA-N 1 2 248.355 1.966 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](Cc1ccccn1)CC2 ZINC000623294093 411270395 /nfs/dbraw/zinc/27/03/95/411270395.db2.gz RKTXWEYQCZYFJW-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](Cc1ccccn1)CC2 ZINC000623294093 411270397 /nfs/dbraw/zinc/27/03/97/411270397.db2.gz RKTXWEYQCZYFJW-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Cc1ccccc1-n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656451914 411273828 /nfs/dbraw/zinc/27/38/28/411273828.db2.gz ANGVZDPGSHOTSH-GFCCVEGCSA-N 1 2 244.298 1.237 20 0 BDADLO Cc1nnc(C[N@H+](CC(C)(C)O)C2CC2)s1 ZINC000426764629 411282378 /nfs/dbraw/zinc/28/23/78/411282378.db2.gz XTRFFBKBDCLBLU-UHFFFAOYSA-N 1 2 241.360 1.582 20 0 BDADLO Cc1nnc(C[N@@H+](CC(C)(C)O)C2CC2)s1 ZINC000426764629 411282381 /nfs/dbraw/zinc/28/23/81/411282381.db2.gz XTRFFBKBDCLBLU-UHFFFAOYSA-N 1 2 241.360 1.582 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000656494571 411284033 /nfs/dbraw/zinc/28/40/33/411284033.db2.gz NZMAZUROFAZDMB-MWLCHTKSSA-N 1 2 226.299 1.478 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000656494571 411284035 /nfs/dbraw/zinc/28/40/35/411284035.db2.gz NZMAZUROFAZDMB-MWLCHTKSSA-N 1 2 226.299 1.478 20 0 BDADLO Cn1cncc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656686785 411328700 /nfs/dbraw/zinc/32/87/00/411328700.db2.gz WQURPQOHTYJDDM-UHFFFAOYSA-N 1 2 233.237 1.804 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000656496920 411288044 /nfs/dbraw/zinc/28/80/44/411288044.db2.gz NGGJXCVMTUNXHW-IUCAKERBSA-N 1 2 207.277 1.035 20 0 BDADLO CCn1ccc(C[NH2+][C@@H]2CCCn3ccnc32)n1 ZINC000655777279 411290541 /nfs/dbraw/zinc/29/05/41/411290541.db2.gz SGUBXVIFXVFEFC-GFCCVEGCSA-N 1 2 245.330 1.724 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@]12C[C@H]1CCC2 ZINC000656539275 411293205 /nfs/dbraw/zinc/29/32/05/411293205.db2.gz NZTUCDKZNAPHPG-NQBHXWOUSA-N 1 2 248.330 1.513 20 0 BDADLO CNC(=O)[C@@H]([NH2+]Cc1nc(C)oc1C)C(C)C ZINC000660196272 411293843 /nfs/dbraw/zinc/29/38/43/411293843.db2.gz IFMGXYRVLUAGHZ-NSHDSACASA-N 1 2 239.319 1.152 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1cn(C)nn1 ZINC000661744387 411301854 /nfs/dbraw/zinc/30/18/54/411301854.db2.gz ILHPMNLIUZFVBP-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1cn(C)nn1 ZINC000661744387 411301857 /nfs/dbraw/zinc/30/18/57/411301857.db2.gz ILHPMNLIUZFVBP-UHFFFAOYSA-N 1 2 249.318 1.094 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2ccccn2)on1 ZINC000660240821 411304043 /nfs/dbraw/zinc/30/40/43/411304043.db2.gz AFUSOCSWBDGDGX-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@@H+]1C ZINC000124202088 411306300 /nfs/dbraw/zinc/30/63/00/411306300.db2.gz JFGUZCHKIZTOEZ-MWLCHTKSSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@H+]1C ZINC000124202088 411306301 /nfs/dbraw/zinc/30/63/01/411306301.db2.gz JFGUZCHKIZTOEZ-MWLCHTKSSA-N 1 2 249.314 1.674 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000402684915 411308623 /nfs/dbraw/zinc/30/86/23/411308623.db2.gz YVHUMPFKRUZRSK-JTQLQIEISA-N 1 2 233.315 1.238 20 0 BDADLO Cc1cncc(CC[N@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000402684915 411308625 /nfs/dbraw/zinc/30/86/25/411308625.db2.gz YVHUMPFKRUZRSK-JTQLQIEISA-N 1 2 233.315 1.238 20 0 BDADLO COC1(C)C[NH+](Cc2nn(C)c3ccccc23)C1 ZINC000656622447 411311982 /nfs/dbraw/zinc/31/19/82/411311982.db2.gz BQELJNOERURPPM-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)(C)CC)CCO1 ZINC000045752669 411248849 /nfs/dbraw/zinc/24/88/49/411248849.db2.gz SDKAYXVBQVTUPZ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)CC)CCO1 ZINC000045752669 411248852 /nfs/dbraw/zinc/24/88/52/411248852.db2.gz SDKAYXVBQVTUPZ-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CC(C)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000656442963 411251339 /nfs/dbraw/zinc/25/13/39/411251339.db2.gz MGNYRYAPAMXVKO-UHFFFAOYSA-N 1 2 240.376 1.483 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)n1 ZINC000656683473 411326499 /nfs/dbraw/zinc/32/64/99/411326499.db2.gz LXFVHWFFCOZMNH-SVRRBLITSA-N 1 2 247.245 1.453 20 0 BDADLO O=C(C[N@@H+](CCO)C1CC1)c1ccccc1F ZINC000050158225 411254301 /nfs/dbraw/zinc/25/43/01/411254301.db2.gz ABDMCGTZVKTQHA-UHFFFAOYSA-N 1 2 237.274 1.465 20 0 BDADLO O=C(C[N@H+](CCO)C1CC1)c1ccccc1F ZINC000050158225 411254302 /nfs/dbraw/zinc/25/43/02/411254302.db2.gz ABDMCGTZVKTQHA-UHFFFAOYSA-N 1 2 237.274 1.465 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)nc(C)n1 ZINC000660141822 411256303 /nfs/dbraw/zinc/25/63/03/411256303.db2.gz JKGWCCKNDALIHW-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1ncc[nH]1)C1CCC1 ZINC000660142387 411257981 /nfs/dbraw/zinc/25/79/81/411257981.db2.gz WHBDFYJDWXMOQT-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1ncc[nH]1)C1CCC1 ZINC000660142387 411257986 /nfs/dbraw/zinc/25/79/86/411257986.db2.gz WHBDFYJDWXMOQT-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC2(COC2)C1 ZINC000662073094 411357106 /nfs/dbraw/zinc/35/71/06/411357106.db2.gz RYKSPFMVIBBNQY-UHFFFAOYSA-N 1 2 236.319 1.081 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC2(COC2)C1 ZINC000662073094 411357109 /nfs/dbraw/zinc/35/71/09/411357109.db2.gz RYKSPFMVIBBNQY-UHFFFAOYSA-N 1 2 236.319 1.081 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000130839012 411364990 /nfs/dbraw/zinc/36/49/90/411364990.db2.gz XKGHGIKJIYFAAB-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000130839012 411364995 /nfs/dbraw/zinc/36/49/95/411364995.db2.gz XKGHGIKJIYFAAB-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO CCN1OC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1=O ZINC000659848684 411341694 /nfs/dbraw/zinc/34/16/94/411341694.db2.gz LCPLFMDHWFTZGA-CYBMUJFWSA-N 1 2 248.326 1.589 20 0 BDADLO CCN1OC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1=O ZINC000659848684 411341696 /nfs/dbraw/zinc/34/16/96/411341696.db2.gz LCPLFMDHWFTZGA-CYBMUJFWSA-N 1 2 248.326 1.589 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000658333587 411342672 /nfs/dbraw/zinc/34/26/72/411342672.db2.gz ZSZPYAAHBYJZQA-XROYCOCOSA-N 1 2 209.293 1.546 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000658335730 411343775 /nfs/dbraw/zinc/34/37/75/411343775.db2.gz FTPRUGVEOUKYSI-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000334023543 168000306 /nfs/dbraw/zinc/00/03/06/168000306.db2.gz FLPPHYVJDGBJSX-UWVGGRQHSA-N 1 2 248.330 1.622 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000334023543 168000310 /nfs/dbraw/zinc/00/03/10/168000310.db2.gz FLPPHYVJDGBJSX-UWVGGRQHSA-N 1 2 248.330 1.622 20 0 BDADLO CC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC000365978832 168058427 /nfs/dbraw/zinc/05/84/27/168058427.db2.gz MHLUDLNLLAOIIP-SECBINFHSA-N 1 2 233.315 1.888 20 0 BDADLO CC1(NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CCC1 ZINC000365978832 168058430 /nfs/dbraw/zinc/05/84/30/168058430.db2.gz MHLUDLNLLAOIIP-SECBINFHSA-N 1 2 233.315 1.888 20 0 BDADLO CC1=C(C)C[N@H+](Cc2ncnn2C)CC1 ZINC000280815919 168084522 /nfs/dbraw/zinc/08/45/22/168084522.db2.gz UHSOOWATAXKMQQ-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2ncnn2C)CC1 ZINC000280815919 168084523 /nfs/dbraw/zinc/08/45/23/168084523.db2.gz UHSOOWATAXKMQQ-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO CC1=C(C)C[N@H+](Cc2nnnn2C2CC2)CC1 ZINC000280667582 168085777 /nfs/dbraw/zinc/08/57/77/168085777.db2.gz FQOQEUXPBFHLBT-UHFFFAOYSA-N 1 2 233.319 1.550 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC000280667582 168085780 /nfs/dbraw/zinc/08/57/80/168085780.db2.gz FQOQEUXPBFHLBT-UHFFFAOYSA-N 1 2 233.319 1.550 20 0 BDADLO CC1=CCCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000280614719 168095839 /nfs/dbraw/zinc/09/58/39/168095839.db2.gz QTXMYTKGLPZZBD-GFCCVEGCSA-N 1 2 248.330 1.633 20 0 BDADLO CC1=CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000270105320 168106126 /nfs/dbraw/zinc/10/61/26/168106126.db2.gz HTHFQKSGUZBMLY-UHFFFAOYSA-N 1 2 248.330 1.635 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC=C(C)CC1 ZINC000270359403 168109709 /nfs/dbraw/zinc/10/97/09/168109709.db2.gz RIPKCPVNZGNTOG-UHFFFAOYSA-N 1 2 248.330 1.617 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC=C(C)CC1 ZINC000270359403 168109712 /nfs/dbraw/zinc/10/97/12/168109712.db2.gz RIPKCPVNZGNTOG-UHFFFAOYSA-N 1 2 248.330 1.617 20 0 BDADLO CC1=CC[N@H+](CC(=O)NCC(F)(F)F)CC1 ZINC000270356839 168109795 /nfs/dbraw/zinc/10/97/95/168109795.db2.gz QWVWDJYVGCWSMA-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO CC1=CC[N@@H+](CC(=O)NCC(F)(F)F)CC1 ZINC000270356839 168109798 /nfs/dbraw/zinc/10/97/98/168109798.db2.gz QWVWDJYVGCWSMA-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO CC1=CC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000270335601 168117196 /nfs/dbraw/zinc/11/71/96/168117196.db2.gz MSEPYWJUZHNXFY-NSHDSACASA-N 1 2 246.314 1.456 20 0 BDADLO CC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000270335601 168117198 /nfs/dbraw/zinc/11/71/98/168117198.db2.gz MSEPYWJUZHNXFY-NSHDSACASA-N 1 2 246.314 1.456 20 0 BDADLO CCC(=O)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367572390 168203892 /nfs/dbraw/zinc/20/38/92/168203892.db2.gz DQKNCDVOXPMPHX-QWHCGFSZSA-N 1 2 241.331 1.235 20 0 BDADLO CCC(=O)CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367572390 168203894 /nfs/dbraw/zinc/20/38/94/168203894.db2.gz DQKNCDVOXPMPHX-QWHCGFSZSA-N 1 2 241.331 1.235 20 0 BDADLO CCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000657000512 411390328 /nfs/dbraw/zinc/39/03/28/411390328.db2.gz NCRQCQUZTUCRAG-JTQLQIEISA-N 1 2 221.304 1.740 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N(C)C(C)C ZINC000657002117 411390369 /nfs/dbraw/zinc/39/03/69/411390369.db2.gz AKCAPOVTRPCNFI-UHFFFAOYSA-N 1 2 224.308 1.453 20 0 BDADLO COc1ccc(C[NH2+]Cc2nc(C)c[nH]2)cn1 ZINC000657301562 411455095 /nfs/dbraw/zinc/45/50/95/411455095.db2.gz ILLBVXDXGFQEQE-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659812033 411459905 /nfs/dbraw/zinc/45/99/05/411459905.db2.gz OGWJJDTVSDONPJ-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000659812033 411459906 /nfs/dbraw/zinc/45/99/06/411459906.db2.gz OGWJJDTVSDONPJ-RKDXNWHRSA-N 1 2 221.247 1.131 20 0 BDADLO CC[N@H+](CCCNC(=O)NC)c1ccccc1 ZINC000048487488 169830188 /nfs/dbraw/zinc/83/01/88/169830188.db2.gz IWQGAIYFJXFYOD-UHFFFAOYSA-N 1 2 235.331 1.832 20 0 BDADLO CC[N@@H+](CCCNC(=O)NC)c1ccccc1 ZINC000048487488 169830189 /nfs/dbraw/zinc/83/01/89/169830189.db2.gz IWQGAIYFJXFYOD-UHFFFAOYSA-N 1 2 235.331 1.832 20 0 BDADLO COCc1ccnc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000653007556 411392409 /nfs/dbraw/zinc/39/24/09/411392409.db2.gz HAZKTMJWZQGYBG-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@@H+]1C ZINC000125702752 411397165 /nfs/dbraw/zinc/39/71/65/411397165.db2.gz SRUNNMLXGIPWBM-UWVGGRQHSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]cccc2C(=O)[O-])CC[N@H+]1C ZINC000125702752 411397166 /nfs/dbraw/zinc/39/71/66/411397166.db2.gz SRUNNMLXGIPWBM-UWVGGRQHSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H]1C[NH+](CCc2cnn[nH]2)C[C@H](C)S1 ZINC000659961352 411402396 /nfs/dbraw/zinc/40/23/96/411402396.db2.gz QKDSAGDQQLYXNE-IUCAKERBSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(C3CC3)no2)CCO1 ZINC000659813306 411461489 /nfs/dbraw/zinc/46/14/89/411461489.db2.gz XDFOEUYVHQBCKV-VIFPVBQESA-N 1 2 222.288 1.773 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)CCO1 ZINC000659813306 411461492 /nfs/dbraw/zinc/46/14/92/411461492.db2.gz XDFOEUYVHQBCKV-VIFPVBQESA-N 1 2 222.288 1.773 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)C1CC1 ZINC000654598964 411416403 /nfs/dbraw/zinc/41/64/03/411416403.db2.gz LOBMOVNCBZCDJU-NXEZZACHSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)C1CC1 ZINC000654598964 411416406 /nfs/dbraw/zinc/41/64/06/411416406.db2.gz LOBMOVNCBZCDJU-NXEZZACHSA-N 1 2 235.331 1.751 20 0 BDADLO CC(C)(C)n1nnc(C[NH+]2C[C@H]3CCC[C@@H]3C2)n1 ZINC000653568050 411424132 /nfs/dbraw/zinc/42/41/32/411424132.db2.gz JLGKXFVYRHLZHM-GHMZBOCLSA-N 1 2 249.362 1.660 20 0 BDADLO CC(C)n1cnc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000652726764 411427029 /nfs/dbraw/zinc/42/70/29/411427029.db2.gz MRHHCLQKMLBVOU-UHFFFAOYSA-N 1 2 248.290 1.153 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C1CC1 ZINC000654705915 411434097 /nfs/dbraw/zinc/43/40/97/411434097.db2.gz RZRWASKYZDQAHX-GWCFXTLKSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C1CC1 ZINC000654705915 411434101 /nfs/dbraw/zinc/43/41/01/411434101.db2.gz RZRWASKYZDQAHX-GWCFXTLKSA-N 1 2 247.342 1.989 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@H]2CC2(C)C)n1 ZINC000657325287 411464618 /nfs/dbraw/zinc/46/46/18/411464618.db2.gz CRQUVWQNPLHVDC-QMMMGPOBSA-N 1 2 223.324 1.316 20 0 BDADLO CCC(CC)(CO)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000654759044 411440255 /nfs/dbraw/zinc/44/02/55/411440255.db2.gz AGAQWSDBURMIED-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1nccn1C(C)C ZINC000657292051 411453236 /nfs/dbraw/zinc/45/32/36/411453236.db2.gz GAHUBMREMPASMY-UHFFFAOYSA-N 1 2 238.335 1.080 20 0 BDADLO Cc1ncc(CN(C)Cc2cn(C)c[nH+]2)s1 ZINC000659846627 411474498 /nfs/dbraw/zinc/47/44/98/411474498.db2.gz RGETVAZGDKAURM-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CCn1cc(C[NH2+]Cc2nc(C)c[nH]2)cn1 ZINC000657366958 411479248 /nfs/dbraw/zinc/47/92/48/411479248.db2.gz PAMDGEVCPQDGMK-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC(F)(F)C1 ZINC000652745527 411483777 /nfs/dbraw/zinc/48/37/77/411483777.db2.gz YIXRJQHWFTZGOU-UHFFFAOYSA-N 1 2 229.230 1.141 20 0 BDADLO Cc1cccc2c1C[N@H+](CCc1cnn[nH]1)CC2 ZINC000660416248 411488957 /nfs/dbraw/zinc/48/89/57/411488957.db2.gz PTKRJNGIZOIKSD-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO Cc1cccc2c1C[N@@H+](CCc1cnn[nH]1)CC2 ZINC000660416248 411488958 /nfs/dbraw/zinc/48/89/58/411488958.db2.gz PTKRJNGIZOIKSD-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(OC)no2)C[C@@H](C)O1 ZINC000659916284 411496492 /nfs/dbraw/zinc/49/64/92/411496492.db2.gz BJDOHHFXYLFXDJ-ZJUUUORDSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(OC)no2)C[C@@H](C)O1 ZINC000659916284 411496493 /nfs/dbraw/zinc/49/64/93/411496493.db2.gz BJDOHHFXYLFXDJ-ZJUUUORDSA-N 1 2 240.303 1.683 20 0 BDADLO Cc1c[nH]c(CNc2ccc(N(C)C)c[nH+]2)n1 ZINC000657402298 411496591 /nfs/dbraw/zinc/49/65/91/411496591.db2.gz PIYLCPBRJFTRJV-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1=CCCC1 ZINC000660422644 411497082 /nfs/dbraw/zinc/49/70/82/411497082.db2.gz GMOLUPDEWBMHPN-NSHDSACASA-N 1 2 248.330 1.681 20 0 BDADLO Cc1cc[nH+]cc1NCc1nnn(C(C)(C)C)n1 ZINC000657412942 411497681 /nfs/dbraw/zinc/49/76/81/411497681.db2.gz LOGCYEYSADCIFK-UHFFFAOYSA-N 1 2 246.318 1.744 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC12CC2 ZINC000655126318 411499960 /nfs/dbraw/zinc/49/99/60/411499960.db2.gz BGCCRRUBPDSMRY-VIFPVBQESA-N 1 2 219.288 1.319 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](CO)CC(F)(F)F)n1 ZINC000657419468 411500710 /nfs/dbraw/zinc/50/07/10/411500710.db2.gz SHAJNVINAXMWPT-SSDOTTSWSA-N 1 2 237.225 1.121 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000655163849 411509071 /nfs/dbraw/zinc/50/90/71/411509071.db2.gz ZIZHVHJCBNUNDO-GMNPVEAJSA-N 1 2 249.314 1.024 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000655163849 411509074 /nfs/dbraw/zinc/50/90/74/411509074.db2.gz ZIZHVHJCBNUNDO-GMNPVEAJSA-N 1 2 249.314 1.024 20 0 BDADLO CC(C)[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655797867 411517200 /nfs/dbraw/zinc/51/72/00/411517200.db2.gz RIBYPVISGSUKKE-NXEZZACHSA-N 1 2 238.335 1.790 20 0 BDADLO CC(=O)N1CC([NH2+]Cc2c(F)cccc2F)C1 ZINC000655804290 411519447 /nfs/dbraw/zinc/51/94/47/411519447.db2.gz SCDKEHFLULZUKJ-UHFFFAOYSA-N 1 2 240.253 1.285 20 0 BDADLO CCN1OC[C@@H]([NH+]2CCC(C(F)F)CC2)C1=O ZINC000660015621 411528791 /nfs/dbraw/zinc/52/87/91/411528791.db2.gz SGSSSYRSNBFCKG-SECBINFHSA-N 1 2 248.273 1.126 20 0 BDADLO CC(C)(C)c1nnc(C[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000657488051 411530596 /nfs/dbraw/zinc/53/05/96/411530596.db2.gz KCGVHZJXEGCNAV-UHFFFAOYSA-N 1 2 234.307 1.115 20 0 BDADLO c1cc(C[NH2+]Cc2cc3n(n2)CCC3)co1 ZINC000657324881 411464964 /nfs/dbraw/zinc/46/49/64/411464964.db2.gz GYEQFTNYDIUNOD-UHFFFAOYSA-N 1 2 217.272 1.712 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC2(OC)CCC2)[C@@H](C)C1 ZINC000339445607 170035339 /nfs/dbraw/zinc/03/53/39/170035339.db2.gz FMLMCRPUINPEMN-STQMWFEESA-N 1 2 240.391 1.875 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000336782176 170035807 /nfs/dbraw/zinc/03/58/07/170035807.db2.gz WWVALILMGHTBAP-RWMBFGLXSA-N 1 2 228.380 1.323 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1occc1C ZINC000271137328 170054783 /nfs/dbraw/zinc/05/47/83/170054783.db2.gz UPCBWEZDYQVJRF-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1occc1C ZINC000271137328 170054785 /nfs/dbraw/zinc/05/47/85/170054785.db2.gz UPCBWEZDYQVJRF-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091898802 170061631 /nfs/dbraw/zinc/06/16/31/170061631.db2.gz KCJQWNFAGZNUKF-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091898802 170061632 /nfs/dbraw/zinc/06/16/32/170061632.db2.gz KCJQWNFAGZNUKF-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CCNC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000337770389 170080817 /nfs/dbraw/zinc/08/08/17/170080817.db2.gz OBGNBLKTYUJKIG-UHFFFAOYSA-N 1 2 244.298 1.896 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000294169538 170095543 /nfs/dbraw/zinc/09/55/43/170095543.db2.gz RGDWHFTYAPGDJK-KXUCPTDWSA-N 1 2 236.319 1.003 20 0 BDADLO CCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000083347709 170097607 /nfs/dbraw/zinc/09/76/07/170097607.db2.gz ZCPUMXRBEQLZRF-SECBINFHSA-N 1 2 214.215 1.101 20 0 BDADLO CCNC(=O)[C@H]([NH2+]Cc1cscn1)C(C)C ZINC000339336862 170098815 /nfs/dbraw/zinc/09/88/15/170098815.db2.gz XWIMXJQKXWVALQ-SNVBAGLBSA-N 1 2 241.360 1.393 20 0 BDADLO CCCN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660102018 411537421 /nfs/dbraw/zinc/53/74/21/411537421.db2.gz SHFKSXFBSMAOLK-SECBINFHSA-N 1 2 224.308 1.533 20 0 BDADLO Cc1cnccc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657568754 411553135 /nfs/dbraw/zinc/55/31/35/411553135.db2.gz JITXRZQYMUGNRO-CMPLNLGQSA-N 1 2 243.314 1.777 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccc(OC)cc2)n1 ZINC000051860552 170131910 /nfs/dbraw/zinc/13/19/10/170131910.db2.gz CEPOPMDWTMLDRY-UHFFFAOYSA-N 1 2 247.298 1.779 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000660142967 411544845 /nfs/dbraw/zinc/54/48/45/411544845.db2.gz NCZZKLTZPRFELY-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2ncc[nH]2)c1 ZINC000660142967 411544846 /nfs/dbraw/zinc/54/48/46/411544846.db2.gz NCZZKLTZPRFELY-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1cnn(CCN(C)Cc2[nH]cc[nH+]2)c1 ZINC000660142967 411544847 /nfs/dbraw/zinc/54/48/47/411544847.db2.gz NCZZKLTZPRFELY-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cn1c[nH+]c(CN2CCC[C@H]2C(F)F)c1 ZINC000660147359 411546251 /nfs/dbraw/zinc/54/62/51/411546251.db2.gz FDSCWNXZJLBQFT-VIFPVBQESA-N 1 2 215.247 1.650 20 0 BDADLO CCOC(=O)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000179513856 170192802 /nfs/dbraw/zinc/19/28/02/170192802.db2.gz UHATWRXAJXFCGZ-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCOC(=O)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000179513856 170192805 /nfs/dbraw/zinc/19/28/05/170192805.db2.gz UHATWRXAJXFCGZ-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000660163324 411549912 /nfs/dbraw/zinc/54/99/12/411549912.db2.gz UJSPQVXKKZMSKG-BXKDBHETSA-N 1 2 238.335 1.275 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@](C)(O)C2)[nH]1 ZINC000660163324 411549914 /nfs/dbraw/zinc/54/99/14/411549914.db2.gz UJSPQVXKKZMSKG-BXKDBHETSA-N 1 2 238.335 1.275 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nnc(C)s1 ZINC000358507947 170205005 /nfs/dbraw/zinc/20/50/05/170205005.db2.gz LHFVCRLZROKVHR-UHFFFAOYSA-N 1 2 243.332 1.232 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nnc(C)s1 ZINC000358507947 170205007 /nfs/dbraw/zinc/20/50/07/170205007.db2.gz LHFVCRLZROKVHR-UHFFFAOYSA-N 1 2 243.332 1.232 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccccc1C ZINC000038997642 170214651 /nfs/dbraw/zinc/21/46/51/170214651.db2.gz JEEGSLILTIPSLB-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccccc1C ZINC000038997642 170214654 /nfs/dbraw/zinc/21/46/54/170214654.db2.gz JEEGSLILTIPSLB-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000020361601 170214910 /nfs/dbraw/zinc/21/49/10/170214910.db2.gz GEFKPURGJLTSOG-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000020361601 170214911 /nfs/dbraw/zinc/21/49/11/170214911.db2.gz GEFKPURGJLTSOG-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CCOC(=O)CN(Cc1c[nH+]c[nH]1)CC(C)C ZINC000091789775 170218195 /nfs/dbraw/zinc/21/81/95/170218195.db2.gz POEOYTLFKUQPTL-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO CCOC(=O)CN(Cc1c[nH]c[nH+]1)CC(C)C ZINC000091789775 170218196 /nfs/dbraw/zinc/21/81/96/170218196.db2.gz POEOYTLFKUQPTL-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119657261 170220067 /nfs/dbraw/zinc/22/00/67/170220067.db2.gz XCUFSNXCMYAIMV-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119657261 170220069 /nfs/dbraw/zinc/22/00/69/170220069.db2.gz XCUFSNXCMYAIMV-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000341895092 170220320 /nfs/dbraw/zinc/22/03/20/170220320.db2.gz WDBJNZAAFWFFPZ-CYBMUJFWSA-N 1 2 233.311 1.867 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000341895092 170220322 /nfs/dbraw/zinc/22/03/22/170220322.db2.gz WDBJNZAAFWFFPZ-CYBMUJFWSA-N 1 2 233.311 1.867 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000341874185 170220405 /nfs/dbraw/zinc/22/04/05/170220405.db2.gz IPPFRORUCHEMPV-GFCCVEGCSA-N 1 2 219.284 1.997 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000341874185 170220407 /nfs/dbraw/zinc/22/04/07/170220407.db2.gz IPPFRORUCHEMPV-GFCCVEGCSA-N 1 2 219.284 1.997 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000342160144 170221530 /nfs/dbraw/zinc/22/15/30/170221530.db2.gz ILXSYDJQJIZRIK-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2cc(C)ccc2C1 ZINC000342160144 170221532 /nfs/dbraw/zinc/22/15/32/170221532.db2.gz ILXSYDJQJIZRIK-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO CC(C)CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660311056 411567512 /nfs/dbraw/zinc/56/75/12/411567512.db2.gz DKWHOYPANDFEBD-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CC(C)CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660311056 411567513 /nfs/dbraw/zinc/56/75/13/411567513.db2.gz DKWHOYPANDFEBD-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339730269 170226240 /nfs/dbraw/zinc/22/62/40/170226240.db2.gz QSNDHRVQGYIILH-GFCCVEGCSA-N 1 2 243.347 1.326 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000309036327 170226381 /nfs/dbraw/zinc/22/63/81/170226381.db2.gz IIOWMOSDNIDKHO-SNVBAGLBSA-N 1 2 211.305 1.862 20 0 BDADLO CCOC(=O)C[C@H](C)SCCn1cc[nH+]c1 ZINC000121916923 170233233 /nfs/dbraw/zinc/23/32/33/170233233.db2.gz MCYXGHIXDWWLFD-JTQLQIEISA-N 1 2 242.344 1.958 20 0 BDADLO CC(C)N1CC[N@@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000660235386 411557060 /nfs/dbraw/zinc/55/70/60/411557060.db2.gz PDUIMOAWINDVSS-LLVKDONJSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[N@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000660235386 411557061 /nfs/dbraw/zinc/55/70/61/411557061.db2.gz PDUIMOAWINDVSS-LLVKDONJSA-N 1 2 240.347 1.107 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc(C)[nH+]cn1 ZINC000301523015 170246349 /nfs/dbraw/zinc/24/63/49/170246349.db2.gz DZJFEPRPKSFEES-QMMMGPOBSA-N 1 2 223.276 1.396 20 0 BDADLO CCOC(=O)[C@@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000307877349 170247727 /nfs/dbraw/zinc/24/77/27/170247727.db2.gz UVOGTAZVMKOFOO-MRVPVSSYSA-N 1 2 235.274 1.915 20 0 BDADLO CC[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660245352 411558745 /nfs/dbraw/zinc/55/87/45/411558745.db2.gz OTXQGWKGOVDSSR-QMMMGPOBSA-N 1 2 210.281 1.350 20 0 BDADLO CC[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660245352 411558747 /nfs/dbraw/zinc/55/87/47/411558747.db2.gz OTXQGWKGOVDSSR-QMMMGPOBSA-N 1 2 210.281 1.350 20 0 BDADLO CCOC(=O)[C@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000307877351 170266319 /nfs/dbraw/zinc/26/63/19/170266319.db2.gz UVOGTAZVMKOFOO-QMMMGPOBSA-N 1 2 235.274 1.915 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000043637760 170268087 /nfs/dbraw/zinc/26/80/87/170268087.db2.gz BEBWRRHEQLHZEZ-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000300369456 170268273 /nfs/dbraw/zinc/26/82/73/170268273.db2.gz RCHKRLUBZJXFFA-ATZCPNFKSA-N 1 2 215.293 1.095 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000295860583 170270201 /nfs/dbraw/zinc/27/02/01/170270201.db2.gz YEOOXDJICRLXJA-RKDXNWHRSA-N 1 2 225.292 1.087 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1noc(C)n1 ZINC000274166172 170270594 /nfs/dbraw/zinc/27/05/94/170270594.db2.gz AKDHCXPCOYLQIE-SFYZADRCSA-N 1 2 241.291 1.055 20 0 BDADLO CCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000089202051 170300878 /nfs/dbraw/zinc/30/08/78/170300878.db2.gz ICIPKIWEYGYXOP-UHFFFAOYSA-N 1 2 204.229 1.819 20 0 BDADLO CCOC1CC(N(C)c2cc(C)[nH+]cn2)C1 ZINC000340920727 170328339 /nfs/dbraw/zinc/32/83/39/170328339.db2.gz STUISGORCVLIJJ-UHFFFAOYSA-N 1 2 221.304 1.789 20 0 BDADLO CCOC1C[NH+](Cc2ccccc2NC(C)=O)C1 ZINC000297446153 170336587 /nfs/dbraw/zinc/33/65/87/170336587.db2.gz OPOXNZJWVHRESH-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CC1(C)C)c1[nH+]ccn1C ZINC000660372884 411574641 /nfs/dbraw/zinc/57/46/41/411574641.db2.gz IIGODWMVCSOSQG-IUCAKERBSA-N 1 2 236.319 1.579 20 0 BDADLO CCOCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265793374 170360020 /nfs/dbraw/zinc/36/00/20/170360020.db2.gz VACCJGVIZAIKPP-LLVKDONJSA-N 1 2 239.319 1.062 20 0 BDADLO CCOCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000125318768 170362073 /nfs/dbraw/zinc/36/20/73/170362073.db2.gz KATWPQHSIOPKBZ-SECBINFHSA-N 1 2 225.292 1.404 20 0 BDADLO CCOCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283452786 170367775 /nfs/dbraw/zinc/36/77/75/170367775.db2.gz KYLUIKIBODPNDW-AATRIKPKSA-N 1 2 237.303 1.356 20 0 BDADLO C[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCC1=O ZINC000660322127 411568950 /nfs/dbraw/zinc/56/89/50/411568950.db2.gz JHPYRXPFUWLPCT-WPRPVWTQSA-N 1 2 233.258 1.322 20 0 BDADLO C[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCC1=O ZINC000660322127 411568952 /nfs/dbraw/zinc/56/89/52/411568952.db2.gz JHPYRXPFUWLPCT-WPRPVWTQSA-N 1 2 233.258 1.322 20 0 BDADLO Cc1nc(C[NH+]2CCC(O)(C(F)F)CC2)co1 ZINC000660331733 411569940 /nfs/dbraw/zinc/56/99/40/411569940.db2.gz CIBQXJSAPWQLEO-UHFFFAOYSA-N 1 2 246.257 1.575 20 0 BDADLO CCOCCN(C)Cc1cc(OC)cc(C)[nH+]1 ZINC000271398144 170389629 /nfs/dbraw/zinc/38/96/29/170389629.db2.gz LBBJKKWMRHTNBS-UHFFFAOYSA-N 1 2 238.331 1.867 20 0 BDADLO CCOCC[NH+]1CCN(CCSCC)CC1 ZINC000119153607 170399568 /nfs/dbraw/zinc/39/95/68/170399568.db2.gz UVTQCYDJLPUYAM-UHFFFAOYSA-N 1 2 246.420 1.394 20 0 BDADLO CC(=O)c1ccnc(NCCn2cc[nH+]c2)c1 ZINC000663334829 411626149 /nfs/dbraw/zinc/62/61/49/411626149.db2.gz RBZOBHDPROABAH-UHFFFAOYSA-N 1 2 230.271 1.593 20 0 BDADLO C[C@H](NC(=O)NCC(F)F)c1[nH+]ccn1C ZINC000660782855 411630860 /nfs/dbraw/zinc/63/08/60/411630860.db2.gz ILYVMVMHBNXJEU-LURJTMIESA-N 1 2 232.234 1.045 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3conc3C)C2)n[nH]1 ZINC000660804980 411639485 /nfs/dbraw/zinc/63/94/85/411639485.db2.gz ITHJJYLWILUGFT-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3conc3C)C2)n[nH]1 ZINC000660804980 411639487 /nfs/dbraw/zinc/63/94/87/411639487.db2.gz ITHJJYLWILUGFT-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657703057 411583025 /nfs/dbraw/zinc/58/30/25/411583025.db2.gz LCWXLWGBKMYACH-WDEREUQCSA-N 1 2 221.304 1.111 20 0 BDADLO Cc1c(CN(C)Cc2cn(C)c[nH+]2)cnn1C ZINC000660441983 411585274 /nfs/dbraw/zinc/58/52/74/411585274.db2.gz LCIMSMWLGZDWNQ-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cn(C)cn2)cnn1C ZINC000660441983 411585276 /nfs/dbraw/zinc/58/52/76/411585276.db2.gz LCIMSMWLGZDWNQ-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cn(C)cn2)cnn1C ZINC000660441983 411585277 /nfs/dbraw/zinc/58/52/77/411585277.db2.gz LCIMSMWLGZDWNQ-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000660444839 411586012 /nfs/dbraw/zinc/58/60/12/411586012.db2.gz QUSLWDHWSWFBDQ-IUCAKERBSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000660444839 411586014 /nfs/dbraw/zinc/58/60/14/411586014.db2.gz QUSLWDHWSWFBDQ-IUCAKERBSA-N 1 2 238.335 1.131 20 0 BDADLO OCC[N@H+](CC(F)F)CC1CC=CC1 ZINC000660452331 411587503 /nfs/dbraw/zinc/58/75/03/411587503.db2.gz SKTHKJUTVDDKEW-UHFFFAOYSA-N 1 2 205.248 1.512 20 0 BDADLO OCC[N@@H+](CC(F)F)CC1CC=CC1 ZINC000660452331 411587504 /nfs/dbraw/zinc/58/75/04/411587504.db2.gz SKTHKJUTVDDKEW-UHFFFAOYSA-N 1 2 205.248 1.512 20 0 BDADLO CC1=CCC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000660461466 411588772 /nfs/dbraw/zinc/58/87/72/411588772.db2.gz DITBBKSVSHDCOB-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000660461466 411588774 /nfs/dbraw/zinc/58/87/74/411588774.db2.gz DITBBKSVSHDCOB-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000660582048 411603361 /nfs/dbraw/zinc/60/33/61/411603361.db2.gz NTIZQCCYJSIVLW-CYBMUJFWSA-N 1 2 237.347 1.496 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC000660582048 411603363 /nfs/dbraw/zinc/60/33/63/411603363.db2.gz NTIZQCCYJSIVLW-CYBMUJFWSA-N 1 2 237.347 1.496 20 0 BDADLO CC(C)CC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660582048 411603364 /nfs/dbraw/zinc/60/33/64/411603364.db2.gz NTIZQCCYJSIVLW-CYBMUJFWSA-N 1 2 237.347 1.496 20 0 BDADLO CC(C)N(Cc1cn(C)c[nH+]1)C1COC1 ZINC000660646469 411604674 /nfs/dbraw/zinc/60/46/74/411604674.db2.gz CAYPUTWXAHKNMN-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)[N@H+](Cc1cn(C)cn1)C1COC1 ZINC000660646469 411604675 /nfs/dbraw/zinc/60/46/75/411604675.db2.gz CAYPUTWXAHKNMN-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO CC(C)[N@@H+](Cc1cn(C)cn1)C1COC1 ZINC000660646469 411604677 /nfs/dbraw/zinc/60/46/77/411604677.db2.gz CAYPUTWXAHKNMN-UHFFFAOYSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000660648367 411612626 /nfs/dbraw/zinc/61/26/26/411612626.db2.gz PWXBONCQLHAJJC-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000660648367 411612627 /nfs/dbraw/zinc/61/26/27/411612627.db2.gz PWXBONCQLHAJJC-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO COc1cc(C[N@H+](C(C)C)C2COC2)on1 ZINC000660647460 411612740 /nfs/dbraw/zinc/61/27/40/411612740.db2.gz LTGDRPIIGXVCLK-UHFFFAOYSA-N 1 2 226.276 1.292 20 0 BDADLO COc1cc(C[N@@H+](C(C)C)C2COC2)on1 ZINC000660647460 411612742 /nfs/dbraw/zinc/61/27/42/411612742.db2.gz LTGDRPIIGXVCLK-UHFFFAOYSA-N 1 2 226.276 1.292 20 0 BDADLO C[C@@H]1Cc2c([nH+]cn2CCc2c[nH]nn2)C[C@@H]1C ZINC000660671310 411616221 /nfs/dbraw/zinc/61/62/21/411616221.db2.gz GONXNSJRFCGHJT-VHSXEESVSA-N 1 2 245.330 1.615 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)on1 ZINC000660692732 411617731 /nfs/dbraw/zinc/61/77/31/411617731.db2.gz RHZWCBLPJASQPH-SSDOTTSWSA-N 1 2 200.213 1.227 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](F)C2)on1 ZINC000660692732 411617732 /nfs/dbraw/zinc/61/77/32/411617732.db2.gz RHZWCBLPJASQPH-SSDOTTSWSA-N 1 2 200.213 1.227 20 0 BDADLO CC[C@H](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000660704213 411618291 /nfs/dbraw/zinc/61/82/91/411618291.db2.gz DGBMAZWRXFTEOS-JTQLQIEISA-N 1 2 238.335 1.656 20 0 BDADLO CCO[C@H]1CC[N@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660721253 411618870 /nfs/dbraw/zinc/61/88/70/411618870.db2.gz NNOZRVIKWHLNCW-JQWIXIFHSA-N 1 2 238.335 1.094 20 0 BDADLO CCO[C@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@@H]1C ZINC000660721253 411618871 /nfs/dbraw/zinc/61/88/71/411618871.db2.gz NNOZRVIKWHLNCW-JQWIXIFHSA-N 1 2 238.335 1.094 20 0 BDADLO CC[C@@H](C)[N@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000661108335 411710344 /nfs/dbraw/zinc/71/03/44/411710344.db2.gz RXEIHDKGMRTDQY-SNVBAGLBSA-N 1 2 248.330 1.643 20 0 BDADLO CC[C@@H](C)[N@@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000661108335 411710349 /nfs/dbraw/zinc/71/03/49/411710349.db2.gz RXEIHDKGMRTDQY-SNVBAGLBSA-N 1 2 248.330 1.643 20 0 BDADLO COC[C@H](C)n1ccc(NCc2[nH+]ccn2C)n1 ZINC000495195222 411652326 /nfs/dbraw/zinc/65/23/26/411652326.db2.gz UZDZGFATVRSSSB-JTQLQIEISA-N 1 2 249.318 1.436 20 0 BDADLO Cc1cc(NCc2n[nH]c(=O)n2C2CC2)nc[nH+]1 ZINC000631440881 411655222 /nfs/dbraw/zinc/65/52/22/411655222.db2.gz BYRLKGSZMMBEIM-UHFFFAOYSA-N 1 2 246.274 1.029 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)nc1 ZINC000660846848 411656190 /nfs/dbraw/zinc/65/61/90/411656190.db2.gz JVWVLISZAVBYGU-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)nc1 ZINC000660846848 411656193 /nfs/dbraw/zinc/65/61/93/411656193.db2.gz JVWVLISZAVBYGU-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@@H]1C=CCCC1 ZINC000660847811 411658023 /nfs/dbraw/zinc/65/80/23/411658023.db2.gz CTZAQWZJURSQJV-MRVPVSSYSA-N 1 2 209.249 1.316 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@@H]1C=CCCC1 ZINC000660847811 411658027 /nfs/dbraw/zinc/65/80/27/411658027.db2.gz CTZAQWZJURSQJV-MRVPVSSYSA-N 1 2 209.249 1.316 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)CC2(CCCC2)O1 ZINC000660906307 411667781 /nfs/dbraw/zinc/66/77/81/411667781.db2.gz FXHTVXDQFDIMJI-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)CC2(CCCC2)O1 ZINC000660906307 411667783 /nfs/dbraw/zinc/66/77/83/411667783.db2.gz FXHTVXDQFDIMJI-GFCCVEGCSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)C2(CCC2)CO1 ZINC000660919761 411672834 /nfs/dbraw/zinc/67/28/34/411672834.db2.gz HOLLBLIWBZEGNZ-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)C2(CCC2)CO1 ZINC000660919761 411672836 /nfs/dbraw/zinc/67/28/36/411672836.db2.gz HOLLBLIWBZEGNZ-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)C2(CCC2)CO1 ZINC000660919761 411672839 /nfs/dbraw/zinc/67/28/39/411672839.db2.gz HOLLBLIWBZEGNZ-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nc(C)no1)C1CCC1 ZINC000660926111 411678100 /nfs/dbraw/zinc/67/81/00/411678100.db2.gz LTYHJJDMLUWJPB-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nc(C)no1)C1CCC1 ZINC000660926111 411678104 /nfs/dbraw/zinc/67/81/04/411678104.db2.gz LTYHJJDMLUWJPB-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccon1 ZINC000660928107 411679500 /nfs/dbraw/zinc/67/95/00/411679500.db2.gz JTVSKMSYZQNGQP-UWVGGRQHSA-N 1 2 235.287 1.488 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccon1 ZINC000660928107 411679504 /nfs/dbraw/zinc/67/95/04/411679504.db2.gz JTVSKMSYZQNGQP-UWVGGRQHSA-N 1 2 235.287 1.488 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660933672 411684504 /nfs/dbraw/zinc/68/45/04/411684504.db2.gz WKLWJLCBYHJZGN-UWVGGRQHSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660933672 411684507 /nfs/dbraw/zinc/68/45/07/411684507.db2.gz WKLWJLCBYHJZGN-UWVGGRQHSA-N 1 2 237.303 1.590 20 0 BDADLO CC(C)=CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661063912 411694903 /nfs/dbraw/zinc/69/49/03/411694903.db2.gz ZCEFFUFOUAFCQF-UHFFFAOYSA-N 1 2 236.319 1.907 20 0 BDADLO CC(C)=CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661063912 411694909 /nfs/dbraw/zinc/69/49/09/411694909.db2.gz ZCEFFUFOUAFCQF-UHFFFAOYSA-N 1 2 236.319 1.907 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c[nH]2)on1 ZINC000661086363 411697224 /nfs/dbraw/zinc/69/72/24/411697224.db2.gz ZGFCFEKRNCDOGO-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH]c[nH+]2)on1 ZINC000661086363 411697228 /nfs/dbraw/zinc/69/72/28/411697228.db2.gz ZGFCFEKRNCDOGO-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO COc1ccncc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661090198 411702268 /nfs/dbraw/zinc/70/22/68/411702268.db2.gz NSEUZTQALHDADD-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661303644 411749128 /nfs/dbraw/zinc/74/91/28/411749128.db2.gz OZOSQWYZLBXBBW-GHMZBOCLSA-N 1 2 248.330 1.014 20 0 BDADLO Cc1nc(NC[C@H]2COCC[N@H+]2C)sc1C ZINC000624619559 411749428 /nfs/dbraw/zinc/74/94/28/411749428.db2.gz FTIPOSGIPPEECE-JTQLQIEISA-N 1 2 241.360 1.502 20 0 BDADLO Cc1nc(NC[C@H]2COCC[N@@H+]2C)sc1C ZINC000624619559 411749432 /nfs/dbraw/zinc/74/94/32/411749432.db2.gz FTIPOSGIPPEECE-JTQLQIEISA-N 1 2 241.360 1.502 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC=CCC1 ZINC000663829303 411755973 /nfs/dbraw/zinc/75/59/73/411755973.db2.gz QHBDQKWKYGQOSV-LLVKDONJSA-N 1 2 248.330 1.907 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC=CCC1 ZINC000663829303 411755974 /nfs/dbraw/zinc/75/59/74/411755974.db2.gz QHBDQKWKYGQOSV-LLVKDONJSA-N 1 2 248.330 1.907 20 0 BDADLO Cc1nc(N(C)C)nc(NCc2ccoc2)[nH+]1 ZINC000488399286 411767508 /nfs/dbraw/zinc/76/75/08/411767508.db2.gz PZKOCIWWIXCONN-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1nc(NCc2ccoc2)nc(N(C)C)[nH+]1 ZINC000488399286 411767516 /nfs/dbraw/zinc/76/75/16/411767516.db2.gz PZKOCIWWIXCONN-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515301 411793370 /nfs/dbraw/zinc/79/33/70/411793370.db2.gz WXLQGGJQSDKYFF-LBPRGKRZSA-N 1 2 236.290 1.661 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515301 411793374 /nfs/dbraw/zinc/79/33/74/411793374.db2.gz WXLQGGJQSDKYFF-LBPRGKRZSA-N 1 2 236.290 1.661 20 0 BDADLO O[C@H]1CC[N@H+](CCCCCF)CC1(F)F ZINC000661410220 411771079 /nfs/dbraw/zinc/77/10/79/411771079.db2.gz XTYFZVXYMOAKES-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO O[C@H]1CC[N@@H+](CCCCCF)CC1(F)F ZINC000661410220 411771082 /nfs/dbraw/zinc/77/10/82/411771082.db2.gz XTYFZVXYMOAKES-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO OC[C@H]([NH2+]Cc1noc(C2CC2)n1)C1CCC1 ZINC000661154108 411722804 /nfs/dbraw/zinc/72/28/04/411722804.db2.gz KZTBBTGSJQRNTH-JTQLQIEISA-N 1 2 237.303 1.198 20 0 BDADLO C[C@]1(O)CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663685351 411722907 /nfs/dbraw/zinc/72/29/07/411722907.db2.gz FHOHBWXLRXHLHI-AWEZNQCLSA-N 1 2 243.310 1.778 20 0 BDADLO Cc1cn(C)nc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000620926783 411725728 /nfs/dbraw/zinc/72/57/28/411725728.db2.gz UITPKEWWOUGKRP-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1cn(C)nc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000620926783 411725734 /nfs/dbraw/zinc/72/57/34/411725734.db2.gz UITPKEWWOUGKRP-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511897 411794531 /nfs/dbraw/zinc/79/45/31/411794531.db2.gz JQQYERMWCYVMHN-QWHCGFSZSA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511897 411794534 /nfs/dbraw/zinc/79/45/34/411794534.db2.gz JQQYERMWCYVMHN-QWHCGFSZSA-N 1 2 248.301 1.851 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1nnc(C)o1 ZINC000661528896 411796878 /nfs/dbraw/zinc/79/68/78/411796878.db2.gz SYAJYLKBINGNCV-NSHDSACASA-N 1 2 241.335 1.871 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1nnc(C)o1 ZINC000661528896 411796880 /nfs/dbraw/zinc/79/68/80/411796880.db2.gz SYAJYLKBINGNCV-NSHDSACASA-N 1 2 241.335 1.871 20 0 BDADLO Cn1cc(C[N@H+](C)C/C=C/c2ccccc2)nn1 ZINC000661750121 411865171 /nfs/dbraw/zinc/86/51/71/411865171.db2.gz VPRIORTXOJQXGF-RMKNXTFCSA-N 1 2 242.326 1.960 20 0 BDADLO Cn1cc(C[N@@H+](C)C/C=C/c2ccccc2)nn1 ZINC000661750121 411865175 /nfs/dbraw/zinc/86/51/75/411865175.db2.gz VPRIORTXOJQXGF-RMKNXTFCSA-N 1 2 242.326 1.960 20 0 BDADLO CCn1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC000618042772 411807694 /nfs/dbraw/zinc/80/76/94/411807694.db2.gz JOGORPNJQCTEKS-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CCn1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n1 ZINC000618042772 411807696 /nfs/dbraw/zinc/80/76/96/411807696.db2.gz JOGORPNJQCTEKS-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CC(C)n1ncnc1COc1cc[nH+]cc1 ZINC000664016175 411814040 /nfs/dbraw/zinc/81/40/40/411814040.db2.gz NYIUZBLQMOMVNH-UHFFFAOYSA-N 1 2 218.260 1.833 20 0 BDADLO FC1(F)C[C@H]1OCCOc1cc[nH+]cc1 ZINC000664014961 411814405 /nfs/dbraw/zinc/81/44/05/411814405.db2.gz GQHYLAXIDMQAKU-SECBINFHSA-N 1 2 215.199 1.885 20 0 BDADLO CCn1nnc(C)c1CNc1cc(C)[nH+]cn1 ZINC000624320116 411823941 /nfs/dbraw/zinc/82/39/41/411823941.db2.gz KIHZGKANKUZZQY-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+](C)CC1=CCCOC1 ZINC000661651557 411829213 /nfs/dbraw/zinc/82/92/13/411829213.db2.gz ARUXOWJSRKUYKF-SNVBAGLBSA-N 1 2 248.330 1.398 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+](C)CC1=CCCOC1 ZINC000661651557 411829217 /nfs/dbraw/zinc/82/92/17/411829217.db2.gz ARUXOWJSRKUYKF-SNVBAGLBSA-N 1 2 248.330 1.398 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)CC1=CCCOC1 ZINC000661656456 411830235 /nfs/dbraw/zinc/83/02/35/411830235.db2.gz HGMTUVYCBVQWCD-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)CC1=CCCOC1 ZINC000661656456 411830236 /nfs/dbraw/zinc/83/02/36/411830236.db2.gz HGMTUVYCBVQWCD-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000309696747 170740410 /nfs/dbraw/zinc/74/04/10/170740410.db2.gz LGNCJYXXOASWPD-RKDXNWHRSA-N 1 2 225.292 1.240 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cs1 ZINC000661713571 411852990 /nfs/dbraw/zinc/85/29/90/411852990.db2.gz QLIXLPBHRZAFGW-JOYOIKCWSA-N 1 2 238.356 1.662 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cs1 ZINC000661713571 411852993 /nfs/dbraw/zinc/85/29/93/411852993.db2.gz QLIXLPBHRZAFGW-JOYOIKCWSA-N 1 2 238.356 1.662 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661716375 411855631 /nfs/dbraw/zinc/85/56/31/411855631.db2.gz ZJNQNJLXOQFYNV-VDDIYKPWSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661716375 411855634 /nfs/dbraw/zinc/85/56/34/411855634.db2.gz ZJNQNJLXOQFYNV-VDDIYKPWSA-N 1 2 237.303 1.150 20 0 BDADLO COCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661732195 411860302 /nfs/dbraw/zinc/86/03/02/411860302.db2.gz STWCWFDHGKQFIC-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661732195 411860305 /nfs/dbraw/zinc/86/03/05/411860305.db2.gz STWCWFDHGKQFIC-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc(C2CC2)nn1 ZINC000664123290 411861188 /nfs/dbraw/zinc/86/11/88/411861188.db2.gz AZVOJQREEAIDKZ-UHFFFAOYSA-N 1 2 214.272 1.907 20 0 BDADLO Cc1nc(N2CCC[C@@H](C)[C@@H]2CCO)cc[nH+]1 ZINC000664284705 411912671 /nfs/dbraw/zinc/91/26/71/411912671.db2.gz BJYJOQJBQDGETB-PWSUYJOCSA-N 1 2 235.331 1.772 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966134 411924147 /nfs/dbraw/zinc/92/41/47/411924147.db2.gz FFTFPOGPVKRRAB-VGMNWLOBSA-N 1 2 209.318 1.941 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966134 411924152 /nfs/dbraw/zinc/92/41/52/411924152.db2.gz FFTFPOGPVKRRAB-VGMNWLOBSA-N 1 2 209.318 1.941 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@H](C)C1O ZINC000664353679 411929284 /nfs/dbraw/zinc/92/92/84/411929284.db2.gz QOGBCTBLSRKYNH-UWVGGRQHSA-N 1 2 206.289 1.535 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661972607 411929457 /nfs/dbraw/zinc/92/94/57/411929457.db2.gz LRNNYPXWOBEWDX-NXEZZACHSA-N 1 2 221.304 1.864 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661972607 411929460 /nfs/dbraw/zinc/92/94/60/411929460.db2.gz LRNNYPXWOBEWDX-NXEZZACHSA-N 1 2 221.304 1.864 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cc[nH]n1 ZINC000661979060 411934207 /nfs/dbraw/zinc/93/42/07/411934207.db2.gz SYHYZIVBYYLWNM-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cc[nH]n1 ZINC000661979060 411934211 /nfs/dbraw/zinc/93/42/11/411934211.db2.gz SYHYZIVBYYLWNM-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@]23C[C@@H]2CCC3)[nH+]1 ZINC000664161435 411876265 /nfs/dbraw/zinc/87/62/65/411876265.db2.gz QMDSSGPTNDCSTD-CABZTGNLSA-N 1 2 233.319 1.601 20 0 BDADLO Cc1nc(N[C@@]23C[C@@H]2CCC3)nc(N(C)C)[nH+]1 ZINC000664161435 411876270 /nfs/dbraw/zinc/87/62/70/411876270.db2.gz QMDSSGPTNDCSTD-CABZTGNLSA-N 1 2 233.319 1.601 20 0 BDADLO Cc1cc(N[C@H](CO)C2CCC2)nc[nH+]1 ZINC000664171937 411878383 /nfs/dbraw/zinc/87/83/83/411878383.db2.gz FIMLIEVBQFHJAP-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000661772368 411883255 /nfs/dbraw/zinc/88/32/55/411883255.db2.gz YGFHEHOTZBMAPY-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000661772368 411883260 /nfs/dbraw/zinc/88/32/60/411883260.db2.gz YGFHEHOTZBMAPY-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@H](O)C12CCC2 ZINC000664469155 411967957 /nfs/dbraw/zinc/96/79/57/411967957.db2.gz LYGVBWRUGUYLCV-ZJUUUORDSA-N 1 2 249.314 1.509 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC3(COC3)C2)[nH]1 ZINC000662075004 411977712 /nfs/dbraw/zinc/97/77/12/411977712.db2.gz VDOFEPPPNFDSFO-UHFFFAOYSA-N 1 2 236.319 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC3(COC3)C2)[nH]1 ZINC000662075004 411977715 /nfs/dbraw/zinc/97/77/15/411977715.db2.gz VDOFEPPPNFDSFO-UHFFFAOYSA-N 1 2 236.319 1.150 20 0 BDADLO Cc1cc(NC2([C@@H](C)O)CC2)nc(C2CC2)[nH+]1 ZINC000664548882 411983638 /nfs/dbraw/zinc/98/36/38/411983638.db2.gz CKIKKLQVCNJFCO-SECBINFHSA-N 1 2 233.315 1.988 20 0 BDADLO c1ccc(N2CC[C@@H]3COC[C@H]3C2)[nH+]c1 ZINC000664554360 411984549 /nfs/dbraw/zinc/98/45/49/411984549.db2.gz AFIZEZTZKIKKLH-GHMZBOCLSA-N 1 2 204.273 1.554 20 0 BDADLO Cc1nc(N2CCC3(COC3)C2)c(C)c(C)[nH+]1 ZINC000664569275 411989729 /nfs/dbraw/zinc/98/97/29/411989729.db2.gz FHOGOZFUIABVNG-UHFFFAOYSA-N 1 2 233.315 1.629 20 0 BDADLO CC(C)COCC[N@@H+]1CCc2nccnc2C1 ZINC000662119202 411990402 /nfs/dbraw/zinc/99/04/02/411990402.db2.gz LVWPSIXYETWCLV-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO CC(C)COCC[N@H+]1CCc2nccnc2C1 ZINC000662119202 411990406 /nfs/dbraw/zinc/99/04/06/411990406.db2.gz LVWPSIXYETWCLV-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO CCc1cc(N[C@H](C)c2[nH+]ccn2C)ncn1 ZINC000664609003 411997922 /nfs/dbraw/zinc/99/79/22/411997922.db2.gz SISWHVVVRPLOIR-SECBINFHSA-N 1 2 231.303 1.946 20 0 BDADLO Cc1nsc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000664609329 411997976 /nfs/dbraw/zinc/99/79/76/411997976.db2.gz YQOIMTQSCZXISP-ZCFIWIBFSA-N 1 2 223.305 1.753 20 0 BDADLO C[C@H](Nc1cc2c(nn1)CCC2)c1[nH+]ccn1C ZINC000664608941 411998467 /nfs/dbraw/zinc/99/84/67/411998467.db2.gz QPCDEWNTDGHQER-VIFPVBQESA-N 1 2 243.314 1.872 20 0 BDADLO C[C@@H](Nc1ncc(F)cn1)c1[nH+]ccn1C ZINC000664608490 411998637 /nfs/dbraw/zinc/99/86/37/411998637.db2.gz FLJDUPINWNUSCZ-SSDOTTSWSA-N 1 2 221.239 1.522 20 0 BDADLO COc1cc(C)nc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000664608842 411998835 /nfs/dbraw/zinc/99/88/35/411998835.db2.gz OJGAFGIOAODDCU-SECBINFHSA-N 1 2 247.302 1.700 20 0 BDADLO Cc1nnc(CN(C)c2cc(C)[nH+]cn2)s1 ZINC000664636553 412001357 /nfs/dbraw/zinc/00/13/57/412001357.db2.gz LHZZYMRPNLCQJL-UHFFFAOYSA-N 1 2 235.316 1.581 20 0 BDADLO Cc1cc(N2C[C@H]3COC[C@]3(C)C2)nc[nH+]1 ZINC000664418607 411950037 /nfs/dbraw/zinc/95/00/37/411950037.db2.gz OPHAINFWSUDZKN-JQWIXIFHSA-N 1 2 219.288 1.258 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@@]2(O)C[C@H]2C1 ZINC000664423582 411951347 /nfs/dbraw/zinc/95/13/47/411951347.db2.gz ZKLNXSQSHHKTRW-IINYFYTJSA-N 1 2 243.310 1.534 20 0 BDADLO CC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC000664437958 411958167 /nfs/dbraw/zinc/95/81/67/411958167.db2.gz QBSQORGUOUCJOI-JTQLQIEISA-N 1 2 235.335 1.847 20 0 BDADLO CC[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)C1CC1 ZINC000664437958 411958173 /nfs/dbraw/zinc/95/81/73/411958173.db2.gz QBSQORGUOUCJOI-JTQLQIEISA-N 1 2 235.335 1.847 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822445 412027628 /nfs/dbraw/zinc/02/76/28/412027628.db2.gz WAOYEDPMQFBGGC-ZDUSSCGKSA-N 1 2 247.342 1.553 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822445 412027632 /nfs/dbraw/zinc/02/76/32/412027632.db2.gz WAOYEDPMQFBGGC-ZDUSSCGKSA-N 1 2 247.342 1.553 20 0 BDADLO FC(F)(F)C[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000662232674 412033036 /nfs/dbraw/zinc/03/30/36/412033036.db2.gz ZDANKABKZUPZKU-QMMMGPOBSA-N 1 2 249.236 1.563 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664862956 412033850 /nfs/dbraw/zinc/03/38/50/412033850.db2.gz YBPCAWJGIWEEHR-UHFFFAOYSA-N 1 2 217.276 1.081 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664862956 412033853 /nfs/dbraw/zinc/03/38/53/412033853.db2.gz YBPCAWJGIWEEHR-UHFFFAOYSA-N 1 2 217.276 1.081 20 0 BDADLO c1cc(C[N@@H+]2CCCc3n[nH]cc3C2)no1 ZINC000664861250 412035031 /nfs/dbraw/zinc/03/50/31/412035031.db2.gz OYROKJBXECZEKA-UHFFFAOYSA-N 1 2 218.260 1.346 20 0 BDADLO c1cc(C[N@H+]2CCCc3n[nH]cc3C2)no1 ZINC000664861250 412035032 /nfs/dbraw/zinc/03/50/32/412035032.db2.gz OYROKJBXECZEKA-UHFFFAOYSA-N 1 2 218.260 1.346 20 0 BDADLO CC1(C)Cc2n[nH]cc2CN(Cc2[nH]cc[nH+]2)C1 ZINC000664868165 412036116 /nfs/dbraw/zinc/03/61/16/412036116.db2.gz MFIDJXIARWLFDL-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO CCC[C@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662256285 412042051 /nfs/dbraw/zinc/04/20/51/412042051.db2.gz KIQCTADKPQMFOM-VIFPVBQESA-N 1 2 229.349 1.439 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662256285 412042053 /nfs/dbraw/zinc/04/20/53/412042053.db2.gz KIQCTADKPQMFOM-VIFPVBQESA-N 1 2 229.349 1.439 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2=CCSC2)[nH]1 ZINC000662263293 412055011 /nfs/dbraw/zinc/05/50/11/412055011.db2.gz IZXKRFSGUBZOAS-UHFFFAOYSA-N 1 2 238.360 1.472 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2=CCSC2)[nH]1 ZINC000662263293 412055013 /nfs/dbraw/zinc/05/50/13/412055013.db2.gz IZXKRFSGUBZOAS-UHFFFAOYSA-N 1 2 238.360 1.472 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H](C)C1CC1 ZINC000134087240 412056641 /nfs/dbraw/zinc/05/66/41/412056641.db2.gz OELQOCJVKKGAEP-ZETCQYMHSA-N 1 2 222.292 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H](C)C1CC1 ZINC000134087240 412056644 /nfs/dbraw/zinc/05/66/44/412056644.db2.gz OELQOCJVKKGAEP-ZETCQYMHSA-N 1 2 222.292 1.525 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2=CCSC2)[nH]1 ZINC000662266278 412057345 /nfs/dbraw/zinc/05/73/45/412057345.db2.gz GKJUVSCMFGNKFO-UHFFFAOYSA-N 1 2 224.333 1.218 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2=CCSC2)[nH]1 ZINC000662266278 412057348 /nfs/dbraw/zinc/05/73/48/412057348.db2.gz GKJUVSCMFGNKFO-UHFFFAOYSA-N 1 2 224.333 1.218 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000268046791 171002408 /nfs/dbraw/zinc/00/24/08/171002408.db2.gz STBPFISEZKEXOH-LLVKDONJSA-N 1 2 221.304 1.532 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000346115237 171051921 /nfs/dbraw/zinc/05/19/21/171051921.db2.gz UWDWRKQQEXNDKJ-QJPTWQEYSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000346115237 171051923 /nfs/dbraw/zinc/05/19/23/171051923.db2.gz UWDWRKQQEXNDKJ-QJPTWQEYSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(F)cn2)CCO1 ZINC000276326052 171089698 /nfs/dbraw/zinc/08/96/98/171089698.db2.gz GFDIVCYVHDSKDO-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CCO1 ZINC000276326052 171089700 /nfs/dbraw/zinc/08/97/00/171089700.db2.gz GFDIVCYVHDSKDO-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccno1 ZINC000269013002 171114466 /nfs/dbraw/zinc/11/44/66/171114466.db2.gz NROFXDIPLDHVHE-NXEZZACHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccno1 ZINC000269013002 171114470 /nfs/dbraw/zinc/11/44/70/171114470.db2.gz NROFXDIPLDHVHE-NXEZZACHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000281843046 171134284 /nfs/dbraw/zinc/13/42/84/171134284.db2.gz RCTKDLDYCXXVNJ-NXEZZACHSA-N 1 2 207.277 1.188 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000281567104 171137201 /nfs/dbraw/zinc/13/72/01/171137201.db2.gz OKAONIBOGBWCIY-GHMZBOCLSA-N 1 2 248.330 1.591 20 0 BDADLO CC[C@@H]1NC(=O)N(Cc2ccc(C)[nH+]c2C)C1=O ZINC000358678960 171144796 /nfs/dbraw/zinc/14/47/96/171144796.db2.gz HZOYGABNQPEJDK-NSHDSACASA-N 1 2 247.298 1.529 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1c1[nH+]cnc2c1cnn2C ZINC000185928190 171157823 /nfs/dbraw/zinc/15/78/23/171157823.db2.gz GGHPLVQZJBWUGG-GXSJLCMTSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279336224 171164027 /nfs/dbraw/zinc/16/40/27/171164027.db2.gz HUDJYKVOYKTCJA-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO CC[C@@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000233954827 171187095 /nfs/dbraw/zinc/18/70/95/171187095.db2.gz HBYXXZCKQBQNCV-SECBINFHSA-N 1 2 230.699 1.285 20 0 BDADLO CC[C@@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000233954827 171187097 /nfs/dbraw/zinc/18/70/97/171187097.db2.gz HBYXXZCKQBQNCV-SECBINFHSA-N 1 2 230.699 1.285 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccco1 ZINC000665054954 412071911 /nfs/dbraw/zinc/07/19/11/412071911.db2.gz UMQFVYVOINCPQV-GHMZBOCLSA-N 1 2 245.282 1.433 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000332665076 171215389 /nfs/dbraw/zinc/21/53/89/171215389.db2.gz GTVJXMWZYWLXEM-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000332665076 171215392 /nfs/dbraw/zinc/21/53/92/171215392.db2.gz GTVJXMWZYWLXEM-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000294728131 171252086 /nfs/dbraw/zinc/25/20/86/171252086.db2.gz XCVDBYVUBPVORP-VIFPVBQESA-N 1 2 222.288 1.753 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276622228 171262078 /nfs/dbraw/zinc/26/20/78/171262078.db2.gz UDEUNCSWIDGKDG-WDEREUQCSA-N 1 2 223.320 1.824 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358385679 171262094 /nfs/dbraw/zinc/26/20/94/171262094.db2.gz LYTCGJWMKWWMFT-VHSXEESVSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358385679 171262097 /nfs/dbraw/zinc/26/20/97/171262097.db2.gz LYTCGJWMKWWMFT-VHSXEESVSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000342330844 171271136 /nfs/dbraw/zinc/27/11/36/171271136.db2.gz BDIALVXBVSQNPV-NWDGAFQWSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](C)CN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000340587536 171275723 /nfs/dbraw/zinc/27/57/23/171275723.db2.gz VHHXBJRUSNYMJH-VIFPVBQESA-N 1 2 237.351 1.728 20 0 BDADLO CC[C@H](C)CN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000340587536 171275724 /nfs/dbraw/zinc/27/57/24/171275724.db2.gz VHHXBJRUSNYMJH-VIFPVBQESA-N 1 2 237.351 1.728 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccn1C ZINC000281283786 171311648 /nfs/dbraw/zinc/31/16/48/171311648.db2.gz ONSUAZYUFNRBGP-NSHDSACASA-N 1 2 238.331 1.799 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccn1C ZINC000281283786 171311651 /nfs/dbraw/zinc/31/16/51/171311651.db2.gz ONSUAZYUFNRBGP-NSHDSACASA-N 1 2 238.331 1.799 20 0 BDADLO CC[C@H](C)N(OC)C(=O)CCc1c[nH+]cn1C ZINC000283293858 171316929 /nfs/dbraw/zinc/31/69/29/171316929.db2.gz HHCLFJDBPPKFOQ-JTQLQIEISA-N 1 2 239.319 1.541 20 0 BDADLO CC[C@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047577854 171330145 /nfs/dbraw/zinc/33/01/45/171330145.db2.gz DZFXJHKMUCTMKB-VHSXEESVSA-N 1 2 224.308 1.369 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360817122 171363724 /nfs/dbraw/zinc/36/37/24/171363724.db2.gz LXFRORZROJUDPI-DJLDLDEBSA-N 1 2 234.290 1.534 20 0 BDADLO CC[C@H](C)[C@@H](CNc1cc(C)[nH+]cn1)OC ZINC000362976711 171369006 /nfs/dbraw/zinc/36/90/06/171369006.db2.gz LNNRPAKRHSFJMM-GXSJLCMTSA-N 1 2 223.320 1.680 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000355991561 171380380 /nfs/dbraw/zinc/38/03/80/171380380.db2.gz QXEBBNKYTAZYMQ-JOYOIKCWSA-N 1 2 236.315 1.812 20 0 BDADLO CC[C@H](C)[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000295903424 171392127 /nfs/dbraw/zinc/39/21/27/171392127.db2.gz ZIKBCAZHUUBGSX-KWQFWETISA-N 1 2 239.319 1.509 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000183663877 171398835 /nfs/dbraw/zinc/39/88/35/171398835.db2.gz DIQZUVVMEYRXOL-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665110040 412097716 /nfs/dbraw/zinc/09/77/16/412097716.db2.gz WIOPKJUULFCXOD-GHMZBOCLSA-N 1 2 235.331 1.686 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000662368518 412125929 /nfs/dbraw/zinc/12/59/29/412125929.db2.gz CBIXVKYBPGPCGT-LLVKDONJSA-N 1 2 245.273 1.308 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000662368518 412125933 /nfs/dbraw/zinc/12/59/33/412125933.db2.gz CBIXVKYBPGPCGT-LLVKDONJSA-N 1 2 245.273 1.308 20 0 BDADLO OCc1cc2c(cc1-c1[nH]cc[nH+]1)OCCO2 ZINC000665223511 412162707 /nfs/dbraw/zinc/16/27/07/412162707.db2.gz MMNSSSVVWPULKS-UHFFFAOYSA-N 1 2 232.239 1.340 20 0 BDADLO Cc1cc(NC(=O)N2CCc3[nH]c[nH+]c3C2)no1 ZINC000629474591 412366598 /nfs/dbraw/zinc/36/65/98/412366598.db2.gz XUXYUPRLSWSHFG-UHFFFAOYSA-N 1 2 247.258 1.296 20 0 BDADLO Cc1cc(NC(=O)N2CCc3[nH+]c[nH]c3C2)no1 ZINC000629474591 412366601 /nfs/dbraw/zinc/36/66/01/412366601.db2.gz XUXYUPRLSWSHFG-UHFFFAOYSA-N 1 2 247.258 1.296 20 0 BDADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)nn1C ZINC000493523712 412323179 /nfs/dbraw/zinc/32/31/79/412323179.db2.gz NGHBVRZNAMJYJR-ONEGZZNKSA-N 1 2 231.259 1.104 20 0 BDADLO C[C@@H](CCNc1cc[nH+]c(C(=O)[O-])c1)[NH+](C)C ZINC000662883587 412335067 /nfs/dbraw/zinc/33/50/67/412335067.db2.gz MPZMMHCOFCCQHM-VIFPVBQESA-N 1 2 237.303 1.532 20 0 BDADLO CCc1nn(C)cc1CNc1cc[nH+]c(C)n1 ZINC000124082830 172041298 /nfs/dbraw/zinc/04/12/98/172041298.db2.gz LLMZQASCLLOGPK-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@H](C)c1nccn1C ZINC000124394278 172041323 /nfs/dbraw/zinc/04/13/23/172041323.db2.gz IDVJNDQUXUBMBT-SNVBAGLBSA-N 1 2 247.346 1.567 20 0 BDADLO CCc1nn(C)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284457201 172042247 /nfs/dbraw/zinc/04/22/47/172042247.db2.gz RQLPNXPZMNFWHU-SNAWJCMRSA-N 1 2 245.286 1.358 20 0 BDADLO CCc1nn(C)cc1NCc1[nH+]cc(C)n1C ZINC000341397354 172042779 /nfs/dbraw/zinc/04/27/79/172042779.db2.gz QNOZAIMNDYYMKS-UHFFFAOYSA-N 1 2 233.319 1.637 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCOC(C)(C)C2)o1 ZINC000377706499 172050441 /nfs/dbraw/zinc/05/04/41/172050441.db2.gz PDAQORICGYDFDV-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+]2CCCOC(C)(C)C2)o1 ZINC000377706499 172050443 /nfs/dbraw/zinc/05/04/43/172050443.db2.gz PDAQORICGYDFDV-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(N(C)Cc2[nH]cc[nH+]2)nc1CC ZINC000330287415 172056791 /nfs/dbraw/zinc/05/67/91/172056791.db2.gz BEDQKZGGMFHCDL-UHFFFAOYSA-N 1 2 246.318 1.356 20 0 BDADLO CCc1nnc([C@@H]2C[N@H+](CC)CCO2)o1 ZINC000373042116 172066323 /nfs/dbraw/zinc/06/63/23/172066323.db2.gz KMAGKXDCAUDUAS-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO CCc1nnc([C@@H]2C[N@@H+](CC)CCO2)o1 ZINC000373042116 172066325 /nfs/dbraw/zinc/06/63/25/172066325.db2.gz KMAGKXDCAUDUAS-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO CCc1nnc([C@H]2C[N@@H+](C3CCC3)CCO2)o1 ZINC000369313220 172067989 /nfs/dbraw/zinc/06/79/89/172067989.db2.gz XUYIRYNNZIHCFJ-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CCc1nnc([C@H]2C[N@H+](C3CCC3)CCO2)o1 ZINC000369313220 172067990 /nfs/dbraw/zinc/06/79/90/172067990.db2.gz XUYIRYNNZIHCFJ-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCOC[C@H]1C ZINC000162768134 172076879 /nfs/dbraw/zinc/07/68/79/172076879.db2.gz PNDQZKCPEXNZIW-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCOC[C@H]1C ZINC000162768134 172076880 /nfs/dbraw/zinc/07/68/80/172076880.db2.gz PNDQZKCPEXNZIW-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCOC[C@@H]1C ZINC000162768013 172077364 /nfs/dbraw/zinc/07/73/64/172077364.db2.gz PNDQZKCPEXNZIW-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCOC[C@@H]1C ZINC000162768013 172077366 /nfs/dbraw/zinc/07/73/66/172077366.db2.gz PNDQZKCPEXNZIW-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1occc1C(=O)N1CC[NH+](C)CC1 ZINC000234198364 172115292 /nfs/dbraw/zinc/11/52/92/172115292.db2.gz MLBPOYGTVBIQOX-UHFFFAOYSA-N 1 2 222.288 1.230 20 0 BDADLO CCc1onc(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000340425920 172126243 /nfs/dbraw/zinc/12/62/43/172126243.db2.gz ALHZJYGJVVOZGL-UHFFFAOYSA-N 1 2 248.286 1.771 20 0 BDADLO CCn1cc(C[N@@H+]2CCn3cc(C)nc3C2)cn1 ZINC000378627910 172165601 /nfs/dbraw/zinc/16/56/01/172165601.db2.gz BBNHPTHYJHLNBB-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CCn1cc(C[N@H+]2CCn3cc(C)nc3C2)cn1 ZINC000378627910 172165603 /nfs/dbraw/zinc/16/56/03/172165603.db2.gz BBNHPTHYJHLNBB-UHFFFAOYSA-N 1 2 245.330 1.424 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ccn(C)n2)c(C)n1 ZINC000020349970 172174430 /nfs/dbraw/zinc/17/44/30/172174430.db2.gz LWVUHUBJXVARNQ-LLVKDONJSA-N 1 2 247.346 1.796 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@H]1c1ncon1 ZINC000375772985 172220760 /nfs/dbraw/zinc/22/07/60/172220760.db2.gz MRWLBRYEQAYVCM-JTQLQIEISA-N 1 2 247.302 1.623 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1(CC)CC1 ZINC000298169395 172221576 /nfs/dbraw/zinc/22/15/76/172221576.db2.gz QPEDRBBSQYCGMC-UHFFFAOYSA-N 1 2 236.319 1.645 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)C1CC1 ZINC000295695031 172221773 /nfs/dbraw/zinc/22/17/73/172221773.db2.gz INIALWWCVSAFHL-SECBINFHSA-N 1 2 221.304 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1cccs1 ZINC000295859521 172222233 /nfs/dbraw/zinc/22/22/33/172222233.db2.gz WWVFYNMGJJGFEL-UHFFFAOYSA-N 1 2 249.339 1.823 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CCC=C(C)C1 ZINC000298327741 172222270 /nfs/dbraw/zinc/22/22/70/172222270.db2.gz FGDIWMWLCMHLJW-UHFFFAOYSA-N 1 2 248.330 1.765 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1CCCC1 ZINC000296127695 172222481 /nfs/dbraw/zinc/22/24/81/172222481.db2.gz IRMUPJILKYOGKY-UHFFFAOYSA-N 1 2 236.319 1.645 20 0 BDADLO CCn1cc[nH+]c1CNc1nc(C)cnc1C ZINC000295010384 172225220 /nfs/dbraw/zinc/22/52/20/172225220.db2.gz PFLSYHVJLIKEJC-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC ZINC000280301715 172229773 /nfs/dbraw/zinc/22/97/73/172229773.db2.gz BJGYYSVEBILKRF-JTQLQIEISA-N 1 2 236.319 1.769 20 0 BDADLO CCn1cnnc1[C@H]1C[N@@H+](C2CCC2)CCO1 ZINC000365712514 172239781 /nfs/dbraw/zinc/23/97/81/172239781.db2.gz OBHACSJSABJNPG-LLVKDONJSA-N 1 2 236.319 1.224 20 0 BDADLO CCn1cnnc1[C@H]1C[N@H+](C2CCC2)CCO1 ZINC000365712514 172239784 /nfs/dbraw/zinc/23/97/84/172239784.db2.gz OBHACSJSABJNPG-LLVKDONJSA-N 1 2 236.319 1.224 20 0 BDADLO CCn1nccc1C[N@H+](C(C)C)C1COC1 ZINC000296055497 172263588 /nfs/dbraw/zinc/26/35/88/172263588.db2.gz OZXKUDHLXJBVSH-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@@H+](C(C)C)C1COC1 ZINC000296055497 172263590 /nfs/dbraw/zinc/26/35/90/172263590.db2.gz OZXKUDHLXJBVSH-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000126536066 172265869 /nfs/dbraw/zinc/26/58/69/172265869.db2.gz RSTXSNPRYVSYNF-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000126536066 172265871 /nfs/dbraw/zinc/26/58/71/172265871.db2.gz RSTXSNPRYVSYNF-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000353176292 172266129 /nfs/dbraw/zinc/26/61/29/172266129.db2.gz VWRIIPBVXPXGCA-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000353176292 172266131 /nfs/dbraw/zinc/26/61/31/172266131.db2.gz VWRIIPBVXPXGCA-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@H]1C ZINC000130766851 172266889 /nfs/dbraw/zinc/26/68/89/172266889.db2.gz ZVNJJAKUTWUSQG-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@H]1C ZINC000130766851 172266891 /nfs/dbraw/zinc/26/68/91/172266891.db2.gz ZVNJJAKUTWUSQG-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000193298792 172280719 /nfs/dbraw/zinc/28/07/19/172280719.db2.gz LHBJRJKTVYHTRQ-LLVKDONJSA-N 1 2 245.330 1.676 20 0 BDADLO CCn1ncnc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000193298792 172280721 /nfs/dbraw/zinc/28/07/21/172280721.db2.gz LHBJRJKTVYHTRQ-LLVKDONJSA-N 1 2 245.330 1.676 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@@](C)(F)C1)C1CC1 ZINC000336268715 172308620 /nfs/dbraw/zinc/30/86/20/172308620.db2.gz GPYZSEMQRYSYBI-GFCCVEGCSA-N 1 2 228.311 1.431 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@@](C)(F)C1)C1CC1 ZINC000336268715 172308622 /nfs/dbraw/zinc/30/86/22/172308622.db2.gz GPYZSEMQRYSYBI-GFCCVEGCSA-N 1 2 228.311 1.431 20 0 BDADLO CN(C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000080596978 172320945 /nfs/dbraw/zinc/32/09/45/172320945.db2.gz PEJCNTXKEIGFFE-UHFFFAOYSA-N 1 2 222.292 1.077 20 0 BDADLO CN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCOC1 ZINC000365822126 172328402 /nfs/dbraw/zinc/32/84/02/172328402.db2.gz UMFUOOFSIMUZRL-WDEREUQCSA-N 1 2 249.314 1.008 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000152871621 172366253 /nfs/dbraw/zinc/36/62/53/172366253.db2.gz BKDJYDWIQNNAOX-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000152871621 172366254 /nfs/dbraw/zinc/36/62/54/172366254.db2.gz BKDJYDWIQNNAOX-UHFFFAOYSA-N 1 2 236.290 1.272 20 0 BDADLO CN(C)C(=O)c1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000054764748 172391245 /nfs/dbraw/zinc/39/12/45/172391245.db2.gz KLVSHZOZYLODOX-UHFFFAOYSA-N 1 2 244.298 1.724 20 0 BDADLO CN(C)C(=O)c1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000054764748 172391247 /nfs/dbraw/zinc/39/12/47/172391247.db2.gz KLVSHZOZYLODOX-UHFFFAOYSA-N 1 2 244.298 1.724 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cncnc1 ZINC000354799983 172585906 /nfs/dbraw/zinc/58/59/06/172585906.db2.gz RUCWITHRIHXXFV-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC1(F)F ZINC000294966362 172721358 /nfs/dbraw/zinc/72/13/58/172721358.db2.gz NQMXCUJNVAYDLP-SECBINFHSA-N 1 2 243.257 1.387 20 0 BDADLO CN(Cc1ccsc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000035206447 172908628 /nfs/dbraw/zinc/90/86/28/172908628.db2.gz YBMCNHLZSFBDER-JTQLQIEISA-N 1 2 224.329 1.459 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[C@H]1F ZINC000335653209 172927558 /nfs/dbraw/zinc/92/75/58/172927558.db2.gz XUNDJZXTBPEQPP-GMSGAONNSA-N 1 2 211.240 1.116 20 0 BDADLO CN(c1cc[nH+]c2ccncc21)C1CC(O)C1 ZINC000353264254 172951090 /nfs/dbraw/zinc/95/10/90/172951090.db2.gz KSPOVLMVTGNMRI-UHFFFAOYSA-N 1 2 229.283 1.589 20 0 BDADLO CN1CC[N@H+](C/C=C/Cl)C(C)(C)C1=O ZINC000132399143 173077701 /nfs/dbraw/zinc/07/77/01/173077701.db2.gz PQRQKQJIXWIWEQ-SNAWJCMRSA-N 1 2 216.712 1.292 20 0 BDADLO CN1CC[N@@H+](C/C=C/Cl)C(C)(C)C1=O ZINC000132399143 173077704 /nfs/dbraw/zinc/07/77/04/173077704.db2.gz PQRQKQJIXWIWEQ-SNAWJCMRSA-N 1 2 216.712 1.292 20 0 BDADLO CN1CC[N@H+](Cc2cccs2)CC1=O ZINC000127333669 173089714 /nfs/dbraw/zinc/08/97/14/173089714.db2.gz NSUITDFGUTVJNA-UHFFFAOYSA-N 1 2 210.302 1.022 20 0 BDADLO CN1CC[N@@H+](Cc2cccs2)CC1=O ZINC000127333669 173089718 /nfs/dbraw/zinc/08/97/18/173089718.db2.gz NSUITDFGUTVJNA-UHFFFAOYSA-N 1 2 210.302 1.022 20 0 BDADLO CN1CC[N@H+](Cc2ccco2)C(C)(C)C1=O ZINC000093642497 173090107 /nfs/dbraw/zinc/09/01/07/173090107.db2.gz WMOPQUGJQMGAEI-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO CN1CC[N@@H+](Cc2ccco2)C(C)(C)C1=O ZINC000093642497 173090110 /nfs/dbraw/zinc/09/01/10/173090110.db2.gz WMOPQUGJQMGAEI-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO C[N@@H+]1CC[C@@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037647407 173118536 /nfs/dbraw/zinc/11/85/36/173118536.db2.gz DRQVKSSCIFIYSU-VIFPVBQESA-N 1 2 235.287 1.143 20 0 BDADLO C[N@H+]1CC[C@@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037647407 173118538 /nfs/dbraw/zinc/11/85/38/173118538.db2.gz DRQVKSSCIFIYSU-VIFPVBQESA-N 1 2 235.287 1.143 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC[C@@H]2c2ccccc2F)C1=O ZINC000363312871 173120614 /nfs/dbraw/zinc/12/06/14/173120614.db2.gz CBNJBQJPQBNAOQ-CHWSQXEVSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC[C@@H]2c2ccccc2F)C1=O ZINC000363312871 173120615 /nfs/dbraw/zinc/12/06/15/173120615.db2.gz CBNJBQJPQBNAOQ-CHWSQXEVSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@H]([N@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000270232310 173150116 /nfs/dbraw/zinc/15/01/16/173150116.db2.gz GRWKJLSOPDZODC-VIFPVBQESA-N 1 2 248.248 1.412 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000270232310 173150119 /nfs/dbraw/zinc/15/01/19/173150119.db2.gz GRWKJLSOPDZODC-VIFPVBQESA-N 1 2 248.248 1.412 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(F)F)C1 ZINC000365389009 173201035 /nfs/dbraw/zinc/20/10/35/173201035.db2.gz IUBMMDSNTSGQIT-SNVBAGLBSA-N 1 2 240.253 1.554 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(F)F)C1 ZINC000365389009 173201036 /nfs/dbraw/zinc/20/10/36/173201036.db2.gz IUBMMDSNTSGQIT-SNVBAGLBSA-N 1 2 240.253 1.554 20 0 BDADLO CNC(=O)CCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000275593289 173235330 /nfs/dbraw/zinc/23/53/30/173235330.db2.gz DYDMQZRUXOEDSS-UHFFFAOYSA-N 1 2 249.314 1.553 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1nccn1C(C)C ZINC000170781098 173250787 /nfs/dbraw/zinc/25/07/87/173250787.db2.gz GEUJZTBRZKSLHO-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1nccn1C(C)C ZINC000170781098 173250790 /nfs/dbraw/zinc/25/07/90/173250790.db2.gz GEUJZTBRZKSLHO-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CNC(=O)CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000179290057 173252616 /nfs/dbraw/zinc/25/26/16/173252616.db2.gz CMXUEFDVRQGBKU-UHFFFAOYSA-N 1 2 232.287 1.135 20 0 BDADLO CNC(=O)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279023740 173277379 /nfs/dbraw/zinc/27/73/79/173277379.db2.gz AOWJJQVFQYSNPI-UHFFFAOYSA-N 1 2 241.360 1.276 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ncc(C)s1 ZINC000180445764 173298497 /nfs/dbraw/zinc/29/84/97/173298497.db2.gz WJFLXPZRNMQUIL-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ncc(C)s1 ZINC000180445764 173298498 /nfs/dbraw/zinc/29/84/98/173298498.db2.gz WJFLXPZRNMQUIL-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc(F)c(F)c2)n1 ZINC000095059002 173399726 /nfs/dbraw/zinc/39/97/26/173399726.db2.gz OLOGLHVVGXREKQ-UHFFFAOYSA-N 1 2 239.225 1.658 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc(OC)cc2)n1 ZINC000051848497 173399813 /nfs/dbraw/zinc/39/98/13/173399813.db2.gz UWHQKKLYUXHASI-UHFFFAOYSA-N 1 2 233.271 1.388 20 0 BDADLO COC(=O)[C@H](C)CNc1cc[nH+]c(C(C)C)n1 ZINC000110481138 173772555 /nfs/dbraw/zinc/77/25/55/173772555.db2.gz OTXZSHLDWVLPKR-SECBINFHSA-N 1 2 237.303 1.821 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000275751991 173804482 /nfs/dbraw/zinc/80/44/82/173804482.db2.gz QUVPFEWPVFXMIC-GHMZBOCLSA-N 1 2 225.288 1.220 20 0 BDADLO COCC(C)(C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000294289243 174078104 /nfs/dbraw/zinc/07/81/04/174078104.db2.gz ZABXBZZSQLEEAF-AATRIKPKSA-N 1 2 237.303 1.306 20 0 BDADLO COCC1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000352443592 174085737 /nfs/dbraw/zinc/08/57/37/174085737.db2.gz NNKDAAURWVGGCV-UHFFFAOYSA-N 1 2 220.272 1.177 20 0 BDADLO COCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000285813426 174107974 /nfs/dbraw/zinc/10/79/74/174107974.db2.gz RXMOQIZZFAPOSX-ONEGZZNKSA-N 1 2 235.287 1.108 20 0 BDADLO COCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC000336726137 174116745 /nfs/dbraw/zinc/11/67/45/174116745.db2.gz WLHLXOBMHHYKHT-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO COCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC000336726137 174116746 /nfs/dbraw/zinc/11/67/46/174116746.db2.gz WLHLXOBMHHYKHT-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO COCCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000263882500 174132049 /nfs/dbraw/zinc/13/20/49/174132049.db2.gz QNRXCKCTRGMKIO-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO COCCC1(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000331966999 174150460 /nfs/dbraw/zinc/15/04/60/174150460.db2.gz LDVCJDLONNCMJB-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO COCCC1(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000331966999 174150463 /nfs/dbraw/zinc/15/04/63/174150463.db2.gz LDVCJDLONNCMJB-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO COCCCC[N@H+](CCOC)CC(F)F ZINC000117879164 174189286 /nfs/dbraw/zinc/18/92/86/174189286.db2.gz MUPFKTDJOPEVNS-UHFFFAOYSA-N 1 2 225.279 1.627 20 0 BDADLO COCCCC[N@@H+](CCOC)CC(F)F ZINC000117879164 174189288 /nfs/dbraw/zinc/18/92/88/174189288.db2.gz MUPFKTDJOPEVNS-UHFFFAOYSA-N 1 2 225.279 1.627 20 0 BDADLO COCCCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330561080 174194174 /nfs/dbraw/zinc/19/41/74/174194174.db2.gz IUMFRMKKDMLFOK-BDAKNGLRSA-N 1 2 218.272 1.361 20 0 BDADLO COCCCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330561080 174194176 /nfs/dbraw/zinc/19/41/76/174194176.db2.gz IUMFRMKKDMLFOK-BDAKNGLRSA-N 1 2 218.272 1.361 20 0 BDADLO COCCCOCCN(C)c1cccc[nH+]1 ZINC000091023757 174254751 /nfs/dbraw/zinc/25/47/51/174254751.db2.gz SRVGBKHNMMLORO-UHFFFAOYSA-N 1 2 224.304 1.571 20 0 BDADLO COCCC[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000182233987 174259909 /nfs/dbraw/zinc/25/99/09/174259909.db2.gz KASOERFYPLCVJS-LLVKDONJSA-N 1 2 239.319 1.062 20 0 BDADLO COCC[NH+](CCOC)Cc1ncc(C)s1 ZINC000180414922 174296775 /nfs/dbraw/zinc/29/67/75/174296775.db2.gz OSMALDJYYNAQJE-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO COCC[N@H+](Cc1ccco1)Cc1ccno1 ZINC000264707646 174301334 /nfs/dbraw/zinc/30/13/34/174301334.db2.gz LKGCCMBVIPOMQY-UHFFFAOYSA-N 1 2 236.271 1.916 20 0 BDADLO COCC[N@@H+](Cc1ccco1)Cc1ccno1 ZINC000264707646 174301335 /nfs/dbraw/zinc/30/13/35/174301335.db2.gz LKGCCMBVIPOMQY-UHFFFAOYSA-N 1 2 236.271 1.916 20 0 BDADLO COCC[NH+]1CCN(CCSC(C)C)CC1 ZINC000336665417 174309357 /nfs/dbraw/zinc/30/93/57/174309357.db2.gz HLAUNFHOSPZVNM-UHFFFAOYSA-N 1 2 246.420 1.392 20 0 BDADLO COCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375775802 174312266 /nfs/dbraw/zinc/31/22/66/174312266.db2.gz FAZFVWMTUWNLDM-JTQLQIEISA-N 1 2 211.261 1.299 20 0 BDADLO COCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375775802 174312268 /nfs/dbraw/zinc/31/22/68/174312268.db2.gz FAZFVWMTUWNLDM-JTQLQIEISA-N 1 2 211.261 1.299 20 0 BDADLO COCCOCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119254190 174348240 /nfs/dbraw/zinc/34/82/40/174348240.db2.gz UBBNCDJKFXYFKK-UHFFFAOYSA-N 1 2 238.287 1.300 20 0 BDADLO COCCO[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000302534392 174366710 /nfs/dbraw/zinc/36/67/10/174366710.db2.gz MEUGGZPVQCJCEI-NSHDSACASA-N 1 2 237.303 1.027 20 0 BDADLO COC[C@@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000271807350 174485216 /nfs/dbraw/zinc/48/52/16/174485216.db2.gz NQXLHHZKLIIUGP-CYBMUJFWSA-N 1 2 247.298 1.855 20 0 BDADLO COCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353671655 174623402 /nfs/dbraw/zinc/62/34/02/174623402.db2.gz LIFCFJHLGIDACA-PHIMTYICSA-N 1 2 237.299 1.789 20 0 BDADLO COCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353671655 174623404 /nfs/dbraw/zinc/62/34/04/174623404.db2.gz LIFCFJHLGIDACA-PHIMTYICSA-N 1 2 237.299 1.789 20 0 BDADLO CON(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287427482 174656694 /nfs/dbraw/zinc/65/66/94/174656694.db2.gz GKHSVZIEDKNWAQ-UHFFFAOYSA-N 1 2 209.249 1.724 20 0 BDADLO CO[C@H](CNc1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000338790090 174861403 /nfs/dbraw/zinc/86/14/03/174861403.db2.gz IYVWEFXLDDHWSR-LLVKDONJSA-N 1 2 235.331 1.859 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C)[nH]2)ccn1 ZINC000340524326 175016083 /nfs/dbraw/zinc/01/60/83/175016083.db2.gz IOVPRAJRDFSXHI-QMMMGPOBSA-N 1 2 247.302 1.368 20 0 BDADLO COc1ccc(CC[NH2+][C@]2(C)CCOC2=O)cc1 ZINC000289687405 175092828 /nfs/dbraw/zinc/09/28/28/175092828.db2.gz VOZIRGQLSXKIAO-CQSZACIVSA-N 1 2 249.310 1.533 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)nc1 ZINC000271924134 175101029 /nfs/dbraw/zinc/10/10/29/175101029.db2.gz KYZVGEAVTWCXKW-ZIAGYGMSSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)nc1 ZINC000271924134 175101032 /nfs/dbraw/zinc/10/10/32/175101032.db2.gz KYZVGEAVTWCXKW-ZIAGYGMSSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000267973705 175101842 /nfs/dbraw/zinc/10/18/42/175101842.db2.gz WFFSOYGCKSVOFS-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000267973705 175101844 /nfs/dbraw/zinc/10/18/44/175101844.db2.gz WFFSOYGCKSVOFS-QWHCGFSZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ccccn2)nn1 ZINC000336790450 175109262 /nfs/dbraw/zinc/10/92/62/175109262.db2.gz WZNQHIXNSFEIOJ-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cc1O ZINC000138901839 175110673 /nfs/dbraw/zinc/11/06/73/175110673.db2.gz KVYALDGKIBXEQO-SECBINFHSA-N 1 2 247.298 1.975 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275860527 175111070 /nfs/dbraw/zinc/11/10/70/175111070.db2.gz UCKZLALUHZPRBH-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1nccn1C ZINC000275031397 175130260 /nfs/dbraw/zinc/13/02/60/175130260.db2.gz CCENBXSPTKTGHE-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO COc1ccc2[nH+]c(CCO)n(C)c2c1 ZINC000075864301 175228938 /nfs/dbraw/zinc/22/89/38/175228938.db2.gz AMLMJWHJNFNLBQ-UHFFFAOYSA-N 1 2 206.245 1.117 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282168206 175256311 /nfs/dbraw/zinc/25/63/11/175256311.db2.gz MCFIYWSBOHBUCR-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282168206 175256313 /nfs/dbraw/zinc/25/63/13/175256313.db2.gz MCFIYWSBOHBUCR-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(C[N@@H+]2CCOC[C@@H]2C)n1 ZINC000264842548 175258966 /nfs/dbraw/zinc/25/89/66/175258966.db2.gz WJRWHOSFDOBVMX-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[N@H+]2CCOC[C@@H]2C)n1 ZINC000264842548 175258967 /nfs/dbraw/zinc/25/89/67/175258967.db2.gz WJRWHOSFDOBVMX-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366411593 175259596 /nfs/dbraw/zinc/25/95/96/175259596.db2.gz ZHJXOWYNXOMUQF-OLZOCXBDSA-N 1 2 219.284 1.668 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366411593 175259597 /nfs/dbraw/zinc/25/95/97/175259597.db2.gz ZHJXOWYNXOMUQF-OLZOCXBDSA-N 1 2 219.284 1.668 20 0 BDADLO COc1cccc(CN2CCn3cc[nH+]c3C2)n1 ZINC000353159773 175260451 /nfs/dbraw/zinc/26/04/51/175260451.db2.gz VFTLJBQLNHUVAU-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000291522531 175260788 /nfs/dbraw/zinc/26/07/88/175260788.db2.gz JHSYLBGVXRDSQX-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000287197661 175287567 /nfs/dbraw/zinc/28/75/67/175287567.db2.gz WEKZCUMQGZLFHZ-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2nnnn2C)c1 ZINC000341202000 175288234 /nfs/dbraw/zinc/28/82/34/175288234.db2.gz APPNCKFKAJUEFB-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000353109767 175318427 /nfs/dbraw/zinc/31/84/27/175318427.db2.gz UMTZJNDJIZRCJV-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1ccccc1CN(Cc1c[nH+]c[nH]1)OC ZINC000289635817 175325956 /nfs/dbraw/zinc/32/59/56/175325956.db2.gz UPWRCCBUVYWEHD-UHFFFAOYSA-N 1 2 247.298 1.982 20 0 BDADLO COc1ccccc1CN(Cc1c[nH]c[nH+]1)OC ZINC000289635817 175325957 /nfs/dbraw/zinc/32/59/57/175325957.db2.gz UPWRCCBUVYWEHD-UHFFFAOYSA-N 1 2 247.298 1.982 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366560099 175327841 /nfs/dbraw/zinc/32/78/41/175327841.db2.gz OTDJJEYFEPQBRM-YPMHNXCESA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366560099 175327843 /nfs/dbraw/zinc/32/78/43/175327843.db2.gz OTDJJEYFEPQBRM-YPMHNXCESA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1nncn1C ZINC000038007606 175351995 /nfs/dbraw/zinc/35/19/95/175351995.db2.gz FUCDMVLQUMTXTK-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2cnccn2)c1 ZINC000267432846 175359206 /nfs/dbraw/zinc/35/92/06/175359206.db2.gz ZEERLNZSXYCBDE-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1CCC1 ZINC000293281763 175369573 /nfs/dbraw/zinc/36/95/73/175369573.db2.gz GZYRXHHTQXOJHN-UHFFFAOYSA-N 1 2 220.272 1.507 20 0 BDADLO COc1ccncc1C[N@@H+]1CCOCC1(C)C ZINC000287302952 175370668 /nfs/dbraw/zinc/37/06/68/175370668.db2.gz MQXRUBKWQWYOTL-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccncc1C[N@H+]1CCOCC1(C)C ZINC000287302952 175370670 /nfs/dbraw/zinc/37/06/70/175370670.db2.gz MQXRUBKWQWYOTL-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCC=C(C)C ZINC000293308627 175370720 /nfs/dbraw/zinc/37/07/20/175370720.db2.gz IUNWQKIEWCGTKY-UHFFFAOYSA-N 1 2 249.314 1.856 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cnc(C)[nH]1 ZINC000294380593 175371231 /nfs/dbraw/zinc/37/12/31/175371231.db2.gz CTQMRXCFHXJICP-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@H](C)CF ZINC000293465567 175371617 /nfs/dbraw/zinc/37/16/17/175371617.db2.gz WCACVPRJBCECPK-MRVPVSSYSA-N 1 2 241.266 1.247 20 0 BDADLO COc1ccncc1C[NH2+]Cc1ccco1 ZINC000292842909 175371689 /nfs/dbraw/zinc/37/16/89/175371689.db2.gz YQUISHBISIZSTF-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO COc1cc[nH+]cc1CS[C@H](C)CO ZINC000286407153 175372778 /nfs/dbraw/zinc/37/27/78/175372778.db2.gz FRIWLFBOPPRUEI-MRVPVSSYSA-N 1 2 213.302 1.704 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H](C)SC ZINC000288900237 175373807 /nfs/dbraw/zinc/37/38/07/175373807.db2.gz SXWLQVGFLWJNRY-MRVPVSSYSA-N 1 2 241.312 1.885 20 0 BDADLO COc1cc[nH+]cc1COc1coc(C)cc1=O ZINC000341400220 175374001 /nfs/dbraw/zinc/37/40/01/175374001.db2.gz QBLWYACFJOBJIP-UHFFFAOYSA-N 1 2 247.250 1.931 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000376354895 175374592 /nfs/dbraw/zinc/37/45/92/175374592.db2.gz CPRUNSXKMSWXIC-ZANVPECISA-N 1 2 248.282 1.455 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000334156337 175375759 /nfs/dbraw/zinc/37/57/59/175375759.db2.gz YCKMIMKDKCYNKG-MUWHJKNJSA-N 1 2 242.225 1.930 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000376354892 175376017 /nfs/dbraw/zinc/37/60/17/175376017.db2.gz CPRUNSXKMSWXIC-RNCFNFMXSA-N 1 2 248.282 1.455 20 0 BDADLO COc1c[nH+]c(NCCF)nc1NCCF ZINC000309881900 175382114 /nfs/dbraw/zinc/38/21/14/175382114.db2.gz VVCGZRJOBKYMDE-UHFFFAOYSA-N 1 2 232.234 1.248 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000336263247 175385852 /nfs/dbraw/zinc/38/58/52/175385852.db2.gz ZSSJFRWQKJCOMP-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000336263247 175385854 /nfs/dbraw/zinc/38/58/54/175385854.db2.gz ZSSJFRWQKJCOMP-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cscn1 ZINC000309444654 175913901 /nfs/dbraw/zinc/91/39/01/175913901.db2.gz LAJWBQDSKWPEPD-RKDXNWHRSA-N 1 2 239.344 1.415 20 0 BDADLO C[C@@H](c1ccccc1F)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296168409 176025310 /nfs/dbraw/zinc/02/53/10/176025310.db2.gz KVHQOLHKLNZCLW-ZJUUUORDSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccccc1F)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296168409 176025311 /nfs/dbraw/zinc/02/53/11/176025311.db2.gz KVHQOLHKLNZCLW-ZJUUUORDSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnc[nH]1 ZINC000183710078 176035057 /nfs/dbraw/zinc/03/50/57/176035057.db2.gz BPBQAEMAICPLGL-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000183710078 176035059 /nfs/dbraw/zinc/03/50/59/176035059.db2.gz BPBQAEMAICPLGL-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](O)C1 ZINC000337979827 176038085 /nfs/dbraw/zinc/03/80/85/176038085.db2.gz PYWIPPLJMZUPHL-DTWKUNHWSA-N 1 2 239.319 1.495 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](O)C1 ZINC000337979827 176038087 /nfs/dbraw/zinc/03/80/87/176038087.db2.gz PYWIPPLJMZUPHL-DTWKUNHWSA-N 1 2 239.319 1.495 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000329841672 176040374 /nfs/dbraw/zinc/04/03/74/176040374.db2.gz WVOGGEHPLVMSOU-QWRGUYRKSA-N 1 2 246.318 1.020 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000329841672 176040376 /nfs/dbraw/zinc/04/03/76/176040376.db2.gz WVOGGEHPLVMSOU-QWRGUYRKSA-N 1 2 246.318 1.020 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCCc2occc2C1 ZINC000288718771 176040894 /nfs/dbraw/zinc/04/08/94/176040894.db2.gz FUELDDJSLIMFKP-VIFPVBQESA-N 1 2 247.302 1.313 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCCc2occc2C1 ZINC000288718771 176040895 /nfs/dbraw/zinc/04/08/95/176040895.db2.gz FUELDDJSLIMFKP-VIFPVBQESA-N 1 2 247.302 1.313 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccn2C(F)F)[C@H]1CO ZINC000249003483 176178919 /nfs/dbraw/zinc/17/89/19/176178919.db2.gz ZENVYSYNUOPGCZ-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)[C@H]1CO ZINC000249003483 176178920 /nfs/dbraw/zinc/17/89/20/176178920.db2.gz ZENVYSYNUOPGCZ-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483498 176203098 /nfs/dbraw/zinc/20/30/98/176203098.db2.gz WNMMANOAPNQVCZ-MNOVXSKESA-N 1 2 235.331 1.346 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483498 176203101 /nfs/dbraw/zinc/20/31/01/176203101.db2.gz WNMMANOAPNQVCZ-MNOVXSKESA-N 1 2 235.331 1.346 20 0 BDADLO C[C@@H]1CC[C@@H](CN2CCc3c([nH+]cn3C)C2)O1 ZINC000375483498 176203102 /nfs/dbraw/zinc/20/31/02/176203102.db2.gz WNMMANOAPNQVCZ-MNOVXSKESA-N 1 2 235.331 1.346 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357697504 176205205 /nfs/dbraw/zinc/20/52/05/176205205.db2.gz UKAYITDFJCSEII-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000336514166 176236052 /nfs/dbraw/zinc/23/60/52/176236052.db2.gz RXBZZOPBBASVFY-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000284453580 176241300 /nfs/dbraw/zinc/24/13/00/176241300.db2.gz REPAGHOPYVCHSH-YIZUVKHSSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cncs1 ZINC000270290172 176271341 /nfs/dbraw/zinc/27/13/41/176271341.db2.gz WVHYVCBIVYBCBK-RKDXNWHRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H](CO)O1 ZINC000191773875 176280129 /nfs/dbraw/zinc/28/01/29/176280129.db2.gz PZTSPVNLXCVCPK-IEOKHJKGSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H](CO)O1 ZINC000191773875 176280131 /nfs/dbraw/zinc/28/01/31/176280131.db2.gz PZTSPVNLXCVCPK-IEOKHJKGSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)c2cccn2C)CCCO1 ZINC000061919670 176284492 /nfs/dbraw/zinc/28/44/92/176284492.db2.gz WLLFPCBBRXGDCT-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)c2cccn2C)CCCO1 ZINC000061919670 176284493 /nfs/dbraw/zinc/28/44/93/176284493.db2.gz WLLFPCBBRXGDCT-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2N)CCO1 ZINC000035308389 176301022 /nfs/dbraw/zinc/30/10/22/176301022.db2.gz NNZRHUMJTAKXRF-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2N)CCO1 ZINC000035308389 176301024 /nfs/dbraw/zinc/30/10/24/176301024.db2.gz NNZRHUMJTAKXRF-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CCC1=O ZINC000275255539 176304064 /nfs/dbraw/zinc/30/40/64/176304064.db2.gz PVSDCDFODLKVAC-SNVBAGLBSA-N 1 2 246.310 1.196 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CCC1=O ZINC000275255539 176304065 /nfs/dbraw/zinc/30/40/65/176304065.db2.gz PVSDCDFODLKVAC-SNVBAGLBSA-N 1 2 246.310 1.196 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccn2C)CC[S@@](=O)C1 ZINC000277373586 176307085 /nfs/dbraw/zinc/30/70/85/176307085.db2.gz FWVRKITZXQDBHU-BDJLRTHQSA-N 1 2 240.372 1.226 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccn2C)CC[S@@](=O)C1 ZINC000277373586 176307086 /nfs/dbraw/zinc/30/70/86/176307086.db2.gz FWVRKITZXQDBHU-BDJLRTHQSA-N 1 2 240.372 1.226 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)[C@H](C)CO1 ZINC000092018071 176308427 /nfs/dbraw/zinc/30/84/27/176308427.db2.gz CKBSRJPNAGBOTP-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)[C@H](C)CO1 ZINC000092018071 176308428 /nfs/dbraw/zinc/30/84/28/176308428.db2.gz CKBSRJPNAGBOTP-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000179867189 176310102 /nfs/dbraw/zinc/31/01/02/176310102.db2.gz KYGPMOUHQRMTIG-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000179867189 176310104 /nfs/dbraw/zinc/31/01/04/176310104.db2.gz KYGPMOUHQRMTIG-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@@H](C)O1 ZINC000274334644 176310488 /nfs/dbraw/zinc/31/04/88/176310488.db2.gz GTLZEVKFKHCMBW-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000351805872 176311893 /nfs/dbraw/zinc/31/18/93/176311893.db2.gz CZZXEWFZWNRLPS-SFYZADRCSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@@H]1O ZINC000351805872 176311895 /nfs/dbraw/zinc/31/18/95/176311895.db2.gz CZZXEWFZWNRLPS-SFYZADRCSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1CO ZINC000357672992 176319870 /nfs/dbraw/zinc/31/98/70/176319870.db2.gz KCYGUBJKBDEHTD-GHMZBOCLSA-N 1 2 243.310 1.694 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307933509 176337165 /nfs/dbraw/zinc/33/71/65/176337165.db2.gz GPGZDYRHQRYQHK-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000307933509 176337167 /nfs/dbraw/zinc/33/71/67/176337167.db2.gz GPGZDYRHQRYQHK-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000334054566 176342606 /nfs/dbraw/zinc/34/26/06/176342606.db2.gz UCPOBLCKUZYOEI-KOLCDFICSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000334054566 176342607 /nfs/dbraw/zinc/34/26/07/176342607.db2.gz UCPOBLCKUZYOEI-KOLCDFICSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000172589059 176351161 /nfs/dbraw/zinc/35/11/61/176351161.db2.gz IKJFDTZHAVOZBW-SNVBAGLBSA-N 1 2 248.355 1.667 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1cn2cccnc2n1 ZINC000172589059 176351163 /nfs/dbraw/zinc/35/11/63/176351163.db2.gz IKJFDTZHAVOZBW-SNVBAGLBSA-N 1 2 248.355 1.667 20 0 BDADLO C[C@@H]1CSC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000331382758 176354574 /nfs/dbraw/zinc/35/45/74/176354574.db2.gz NLHPRZUTPUIVDJ-APPZFPTMSA-N 1 2 249.343 1.527 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CCO1 ZINC000219832487 176380237 /nfs/dbraw/zinc/38/02/37/176380237.db2.gz MGJQCIJUYCSLDO-BDAKNGLRSA-N 1 2 247.302 1.343 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCCO1 ZINC000283210633 176785371 /nfs/dbraw/zinc/78/53/71/176785371.db2.gz RPMUCYHSUPWWRP-SKNSLPIRSA-N 1 2 249.314 1.497 20 0 BDADLO C[C@H](NCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000158046854 176881895 /nfs/dbraw/zinc/88/18/95/176881895.db2.gz ACXWYUQCDBPDCJ-VIFPVBQESA-N 1 2 239.319 1.240 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1CC2(CCC2)C1 ZINC000335471828 487636851 /nfs/dbraw/zinc/63/68/51/487636851.db2.gz FJDQAUZNVRYTDR-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000157198767 177002748 /nfs/dbraw/zinc/00/27/48/177002748.db2.gz WPIHXFBWCPHDGA-AAEUAGOBSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccccn1 ZINC000157198767 177002749 /nfs/dbraw/zinc/00/27/49/177002749.db2.gz WPIHXFBWCPHDGA-AAEUAGOBSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+]1CCNC(=O)C1 ZINC000024046431 177039919 /nfs/dbraw/zinc/03/99/19/177039919.db2.gz BXKBZYXPWFBPDS-SNVBAGLBSA-N 1 2 204.273 1.179 20 0 BDADLO C[C@H](c1ccccc1)[N@H+]1CCNC(=O)C1 ZINC000024046431 177039922 /nfs/dbraw/zinc/03/99/22/177039922.db2.gz BXKBZYXPWFBPDS-SNVBAGLBSA-N 1 2 204.273 1.179 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000336266734 177054515 /nfs/dbraw/zinc/05/45/15/177054515.db2.gz JVMVQGIQGXAVIP-KOLCDFICSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCC[C@](C)(F)C1 ZINC000336266734 177054517 /nfs/dbraw/zinc/05/45/17/177054517.db2.gz JVMVQGIQGXAVIP-KOLCDFICSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000280249130 177106744 /nfs/dbraw/zinc/10/67/44/177106744.db2.gz UGJDAXZQCXJCDU-JTQLQIEISA-N 1 2 221.304 1.364 20 0 BDADLO C[C@H]1CCCN1c1nc[nH+]c(N)c1Cl ZINC000235583595 177113078 /nfs/dbraw/zinc/11/30/78/177113078.db2.gz OXBWSTHZLGRIIQ-LURJTMIESA-N 1 2 212.684 1.701 20 0 BDADLO C[C@H]1CCCN1c1[nH+]cnc(N)c1Cl ZINC000235583595 177113079 /nfs/dbraw/zinc/11/30/79/177113079.db2.gz OXBWSTHZLGRIIQ-LURJTMIESA-N 1 2 212.684 1.701 20 0 BDADLO C[C@H]1CCC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278136737 177126492 /nfs/dbraw/zinc/12/64/92/177126492.db2.gz AHDJIDRUOASCCY-CBAPKCEASA-N 1 2 246.318 1.546 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000276656352 177147375 /nfs/dbraw/zinc/14/73/75/177147375.db2.gz XJFYGRKQSJHECU-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccccn2)CC[S@@]1=O ZINC000277103318 177165452 /nfs/dbraw/zinc/16/54/52/177165452.db2.gz GPNRMRCBAZRTBF-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccccn2)CC[S@@]1=O ZINC000277103318 177165453 /nfs/dbraw/zinc/16/54/53/177165453.db2.gz GPNRMRCBAZRTBF-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000299623384 177168124 /nfs/dbraw/zinc/16/81/24/177168124.db2.gz JYVNKBJAASKWPF-QMMMGPOBSA-N 1 2 213.712 1.915 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000299623384 177168125 /nfs/dbraw/zinc/16/81/25/177168125.db2.gz JYVNKBJAASKWPF-QMMMGPOBSA-N 1 2 213.712 1.915 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC[C@H](C)C2)nc[nH+]1 ZINC000281179918 177171227 /nfs/dbraw/zinc/17/12/27/177171227.db2.gz ATYMODVWJSFDHW-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC[C@H](C)C2)[nH+]cn1 ZINC000281179918 177171228 /nfs/dbraw/zinc/17/12/28/177171228.db2.gz ATYMODVWJSFDHW-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2cc[nH]n2)O1 ZINC000336691559 177189080 /nfs/dbraw/zinc/18/90/80/177189080.db2.gz MYXMTCLDKJPANR-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cc[nH]n2)O1 ZINC000336691559 177189082 /nfs/dbraw/zinc/18/90/82/177189082.db2.gz MYXMTCLDKJPANR-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@H]([N@H+](CCO)CC(F)F)C1 ZINC000339141805 177204186 /nfs/dbraw/zinc/20/41/86/177204186.db2.gz LNMLDZZJIRPRSB-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[C@H]([N@@H+](CCO)CC(F)F)C1 ZINC000339141805 177204187 /nfs/dbraw/zinc/20/41/87/177204187.db2.gz LNMLDZZJIRPRSB-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000309182261 177207033 /nfs/dbraw/zinc/20/70/33/177207033.db2.gz FTOJRUWOZIWCCS-IONNQARKSA-N 1 2 217.276 1.574 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)[C@H]1C ZINC000339582607 177244306 /nfs/dbraw/zinc/24/43/06/177244306.db2.gz YXHWUNQTQCXLKO-BQBZGAKWSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000294187908 177215803 /nfs/dbraw/zinc/21/58/03/177215803.db2.gz QEXCSNGFMNIKSD-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)[C@H]1C ZINC000339582607 177244304 /nfs/dbraw/zinc/24/43/04/177244304.db2.gz YXHWUNQTQCXLKO-BQBZGAKWSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCC[C@@H]2C(F)F)CCO1 ZINC000353185815 177251463 /nfs/dbraw/zinc/25/14/63/177251463.db2.gz BWEYTZYWMXILJN-WDEREUQCSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCC[C@@H]2C(F)F)CCO1 ZINC000353185815 177251464 /nfs/dbraw/zinc/25/14/64/177251464.db2.gz BWEYTZYWMXILJN-WDEREUQCSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(Cl)cnn2C)CCCO1 ZINC000187160862 177260245 /nfs/dbraw/zinc/26/02/45/177260245.db2.gz IDXBYQPLEYLAHW-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(Cl)cnn2C)CCCO1 ZINC000187160862 177260247 /nfs/dbraw/zinc/26/02/47/177260247.db2.gz IDXBYQPLEYLAHW-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC(=O)N1 ZINC000295114251 177260489 /nfs/dbraw/zinc/26/04/89/177260489.db2.gz WMFHOZISKZSLEW-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CC(=O)N1 ZINC000295114251 177260490 /nfs/dbraw/zinc/26/04/90/177260490.db2.gz WMFHOZISKZSLEW-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)ncc2F)CCCO1 ZINC000294962116 177260905 /nfs/dbraw/zinc/26/09/05/177260905.db2.gz WGJXNQAEECPBGV-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)ncc2F)CCCO1 ZINC000294962116 177260906 /nfs/dbraw/zinc/26/09/06/177260906.db2.gz WGJXNQAEECPBGV-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO C[C@H]1C[NH+](Cc2ccc(N)nc2)C[C@H](C)O1 ZINC000050792370 177263419 /nfs/dbraw/zinc/26/34/19/177263419.db2.gz MWOYWTFGXQZBJT-UWVGGRQHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2)CC(=O)N1 ZINC000039105267 177264260 /nfs/dbraw/zinc/26/42/60/177264260.db2.gz YOWDLUNPZVDDRV-JTQLQIEISA-N 1 2 204.273 1.007 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CC(=O)N1 ZINC000039105267 177264262 /nfs/dbraw/zinc/26/42/62/177264262.db2.gz YOWDLUNPZVDDRV-JTQLQIEISA-N 1 2 204.273 1.007 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccs2)CC[S@@](=O)C1 ZINC000277417166 177267726 /nfs/dbraw/zinc/26/77/26/177267726.db2.gz ITUXUZSOSYXIOS-ZUZCIYMTSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccs2)CC[S@@](=O)C1 ZINC000277417166 177267727 /nfs/dbraw/zinc/26/77/27/177267727.db2.gz ITUXUZSOSYXIOS-ZUZCIYMTSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(Cl)s2)CC[C@H]1O ZINC000335833878 177271361 /nfs/dbraw/zinc/27/13/61/177271361.db2.gz KWOCFRLVDYQZSH-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)s2)CC[C@H]1O ZINC000335833878 177271363 /nfs/dbraw/zinc/27/13/63/177271363.db2.gz KWOCFRLVDYQZSH-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1CO ZINC000361656303 177271498 /nfs/dbraw/zinc/27/14/98/177271498.db2.gz SGZKNLNVLKEPHE-IUCAKERBSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1CO ZINC000361656303 177271499 /nfs/dbraw/zinc/27/14/99/177271499.db2.gz SGZKNLNVLKEPHE-IUCAKERBSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000339568204 177272186 /nfs/dbraw/zinc/27/21/86/177272186.db2.gz MAVZYXSBRSBFKL-DTWKUNHWSA-N 1 2 223.324 1.268 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnnn1C(C)(C)C ZINC000339568204 177272187 /nfs/dbraw/zinc/27/21/87/177272187.db2.gz MAVZYXSBRSBFKL-DTWKUNHWSA-N 1 2 223.324 1.268 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000336293115 177274937 /nfs/dbraw/zinc/27/49/37/177274937.db2.gz IGVWECJDZYHDLO-VHSXEESVSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000336293115 177274939 /nfs/dbraw/zinc/27/49/39/177274939.db2.gz IGVWECJDZYHDLO-VHSXEESVSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)ncc1F ZINC000295576145 177336083 /nfs/dbraw/zinc/33/60/83/177336083.db2.gz BDTDMPWSMRTNIW-WPRPVWTQSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)ncc1F ZINC000295576145 177336085 /nfs/dbraw/zinc/33/60/85/177336085.db2.gz BDTDMPWSMRTNIW-WPRPVWTQSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000354286924 177377902 /nfs/dbraw/zinc/37/79/02/177377902.db2.gz YYFOYMVJVWTEAW-IUCAKERBSA-N 1 2 207.277 1.414 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000352485765 177378551 /nfs/dbraw/zinc/37/85/51/177378551.db2.gz HQUVLSINUBZRTG-JQWIXIFHSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276648915 177379492 /nfs/dbraw/zinc/37/94/92/177379492.db2.gz WIDHISJIKRPZQA-UWVGGRQHSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000298418986 177379751 /nfs/dbraw/zinc/37/97/51/177379751.db2.gz QOXSANCITZTWDY-QWRGUYRKSA-N 1 2 243.310 1.649 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccc(C(N)=O)c2)[C@@H]1C ZINC000156180220 177399365 /nfs/dbraw/zinc/39/93/65/177399365.db2.gz HZMIIOVKJWVQDM-GHMZBOCLSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccc(C(N)=O)c2)[C@@H]1C ZINC000156180220 177399367 /nfs/dbraw/zinc/39/93/67/177399367.db2.gz HZMIIOVKJWVQDM-GHMZBOCLSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@H]1[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1(F)F ZINC000336536260 177422796 /nfs/dbraw/zinc/42/27/96/177422796.db2.gz CTDSLKAOMRAMAD-IONNQARKSA-N 1 2 241.241 1.127 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@@]2(CCOC2)C1 ZINC000678787441 487642911 /nfs/dbraw/zinc/64/29/11/487642911.db2.gz ONTWCEIQZZJFDA-GFCCVEGCSA-N 1 2 222.263 1.838 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000472343728 225096943 /nfs/dbraw/zinc/09/69/43/225096943.db2.gz BXCXAWMCOLPISD-LLVKDONJSA-N 1 2 222.288 1.421 20 0 BDADLO COCCC[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000479012350 225174691 /nfs/dbraw/zinc/17/46/91/225174691.db2.gz AWTHQYBZUHKOIL-VIFPVBQESA-N 1 2 239.319 1.397 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2(CO)CCC2)[nH+]1 ZINC000486910938 225272922 /nfs/dbraw/zinc/27/29/22/225272922.db2.gz GXYCVEQTSJVYLA-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO COC[C@@]1(C)CC[N@H+](Cc2csnn2)C1 ZINC000487049739 225283164 /nfs/dbraw/zinc/28/31/64/225283164.db2.gz UPLYUVIUQNFTJN-JTQLQIEISA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@@]1(C)CC[N@@H+](Cc2csnn2)C1 ZINC000487049739 225283168 /nfs/dbraw/zinc/28/31/68/225283168.db2.gz UPLYUVIUQNFTJN-JTQLQIEISA-N 1 2 227.333 1.397 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)CC2CC2)[nH+]1 ZINC000488382070 225389613 /nfs/dbraw/zinc/38/96/13/225389613.db2.gz UWDUEMWGLIGRDZ-QMMMGPOBSA-N 1 2 235.335 1.268 20 0 BDADLO Cc1nc(N[C@@H](C)CC2CC2)nc(N(C)C)[nH+]1 ZINC000488382070 225389615 /nfs/dbraw/zinc/38/96/15/225389615.db2.gz UWDUEMWGLIGRDZ-QMMMGPOBSA-N 1 2 235.335 1.268 20 0 BDADLO C[C@H]1C[NH+](Cc2ncnn2CC(F)F)C[C@@H]1C ZINC000488430853 225395472 /nfs/dbraw/zinc/39/54/72/225395472.db2.gz NNXRJYODKBPLMS-IUCAKERBSA-N 1 2 244.289 1.631 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)C1(CF)CCC1 ZINC000335552258 487645626 /nfs/dbraw/zinc/64/56/26/487645626.db2.gz BQAQUVFOITYBMA-UHFFFAOYSA-N 1 2 237.278 1.365 20 0 BDADLO C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000225831073 487647852 /nfs/dbraw/zinc/64/78/52/487647852.db2.gz HNJVRXKFNSLLIU-ZDUSSCGKSA-N 1 2 248.326 1.569 20 0 BDADLO C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000225831073 487647857 /nfs/dbraw/zinc/64/78/57/487647857.db2.gz HNJVRXKFNSLLIU-ZDUSSCGKSA-N 1 2 248.326 1.569 20 0 BDADLO C[C@@H](NC(=O)COCC1CC1)c1[nH]cc[nH+]1 ZINC000557047322 322933668 /nfs/dbraw/zinc/93/36/68/322933668.db2.gz JJOGSPPQEWPRFF-MRVPVSSYSA-N 1 2 223.276 1.014 20 0 BDADLO Cc1csc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492760423 226047347 /nfs/dbraw/zinc/04/73/47/226047347.db2.gz DIEMFEQRBGHYAZ-NSCUHMNNSA-N 1 2 234.284 1.827 20 0 BDADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)c[nH]c1=O ZINC000492775567 226051073 /nfs/dbraw/zinc/05/10/73/226051073.db2.gz YELUZMJYCOQXHE-IHWYPQMZSA-N 1 2 244.254 1.471 20 0 BDADLO C[C@@H](NC(=O)/C=C\c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000492796875 226053335 /nfs/dbraw/zinc/05/33/35/226053335.db2.gz QWOBYBQMSDRABR-XRVBUDJMSA-N 1 2 230.271 1.628 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cscn1 ZINC000492857375 226066377 /nfs/dbraw/zinc/06/63/77/226066377.db2.gz KDNDXQKXXKLUGY-OWOJBTEDSA-N 1 2 248.311 1.238 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000492867439 226070914 /nfs/dbraw/zinc/07/09/14/226070914.db2.gz XJECWJKZLGMPHS-XOULXFPDSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(CCO)CCC1 ZINC000492900238 226079474 /nfs/dbraw/zinc/07/94/74/226079474.db2.gz NQYMIFRQYUMVQB-IHWYPQMZSA-N 1 2 249.314 1.092 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1F ZINC000492975512 226096372 /nfs/dbraw/zinc/09/63/72/226096372.db2.gz VHVFBXHLEWKUCN-CFUOYWMPSA-N 1 2 223.251 1.430 20 0 BDADLO Cc1nc(N)c(CNC(=O)/C=C\C(C)(C)C)c[nH+]1 ZINC000493025431 226107901 /nfs/dbraw/zinc/10/79/01/226107901.db2.gz OXAYXSNPGLPSLA-WAYWQWQTSA-N 1 2 248.330 1.416 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCOC1CCCC1 ZINC000493068676 226116936 /nfs/dbraw/zinc/11/69/36/226116936.db2.gz DUROTYUWKNUQQP-AATRIKPKSA-N 1 2 249.314 1.498 20 0 BDADLO CS[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493082889 226121164 /nfs/dbraw/zinc/12/11/64/226121164.db2.gz ITWHDQZRGQMATN-HPOULIHZSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493129362 226134334 /nfs/dbraw/zinc/13/43/34/226134334.db2.gz VKDQKXDGNPEKJF-HPOULIHZSA-N 1 2 205.261 1.291 20 0 BDADLO O=C(/C=C\C1CCCC1)NCCn1cc[nH+]c1 ZINC000493142217 226138372 /nfs/dbraw/zinc/13/83/72/226138372.db2.gz VOXMUVRANAXJFF-WAYWQWQTSA-N 1 2 233.315 1.746 20 0 BDADLO COC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000493345908 226191145 /nfs/dbraw/zinc/19/11/45/226191145.db2.gz AIUKAGXQKJQKEB-ZWNMCFTASA-N 1 2 237.303 1.210 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCC[C@H](O)C1 ZINC000493227354 226160770 /nfs/dbraw/zinc/16/07/70/226160770.db2.gz WUJRWBSQSNTBTL-ZJRFNNFUSA-N 1 2 249.314 1.090 20 0 BDADLO COC(C)(C)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493229620 226161607 /nfs/dbraw/zinc/16/16/07/226161607.db2.gz JTWHEAFZXAJEEW-AATRIKPKSA-N 1 2 237.303 1.306 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000493348225 226191592 /nfs/dbraw/zinc/19/15/92/226191592.db2.gz DNJIMZSYZSFCDH-LAXGUNSLSA-N 1 2 247.298 1.107 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H](F)C1 ZINC000493240203 226164114 /nfs/dbraw/zinc/16/41/14/226164114.db2.gz ODGUXPIJAGKACU-OCIBVNFRSA-N 1 2 237.278 1.820 20 0 BDADLO COC1([C@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493255141 226167445 /nfs/dbraw/zinc/16/74/45/226167445.db2.gz MZFZKJKKNLWXHS-LWTINBJPSA-N 1 2 249.314 1.497 20 0 BDADLO Cc1nnc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000493406052 226207930 /nfs/dbraw/zinc/20/79/30/226207930.db2.gz YREKLNGIAVGQBW-ARJAWSKDSA-N 1 2 249.299 1.246 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(F)F ZINC000493468848 226225343 /nfs/dbraw/zinc/22/53/43/226225343.db2.gz RPYZNCAIRFSHLW-SDLBARTOSA-N 1 2 229.230 1.583 20 0 BDADLO CO[C@@H]([C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493476074 226226666 /nfs/dbraw/zinc/22/66/66/226226666.db2.gz CGKWUBXJKLPTHC-JELASDNPSA-N 1 2 249.314 1.353 20 0 BDADLO CO[C@@H]([C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493476072 226227021 /nfs/dbraw/zinc/22/70/21/226227021.db2.gz CGKWUBXJKLPTHC-CCPZGTOTSA-N 1 2 249.314 1.353 20 0 BDADLO C[C@@H]1COC[C@@H](C)N1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493477890 226227327 /nfs/dbraw/zinc/22/73/27/226227327.db2.gz BOOIVJCBMZPYNC-HWKXXFMVSA-N 1 2 235.287 1.059 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC12CC2 ZINC000493494530 226232469 /nfs/dbraw/zinc/23/24/69/226232469.db2.gz UYYPSPFEPACUMS-VWCDRPFISA-N 1 2 203.245 1.092 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCC2(CC2)C1 ZINC000493563497 226243751 /nfs/dbraw/zinc/24/37/51/226243751.db2.gz ILWKPWKARFIGHU-NSCUHMNNSA-N 1 2 231.299 1.826 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccc[nH]1 ZINC000493718430 226250870 /nfs/dbraw/zinc/25/08/70/226250870.db2.gz HBPDWSSBBGZFIP-PLNGDYQASA-N 1 2 230.271 1.078 20 0 BDADLO CSCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493763303 226253121 /nfs/dbraw/zinc/25/31/21/226253121.db2.gz YSLONTRCIMFTSP-ONEGZZNKSA-N 1 2 225.317 1.244 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cccs1 ZINC000493811796 226255210 /nfs/dbraw/zinc/25/52/10/226255210.db2.gz BODDGRCZCHGZLJ-ONEGZZNKSA-N 1 2 247.323 1.843 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000494449533 226265392 /nfs/dbraw/zinc/26/53/92/226265392.db2.gz BKFMQNPHSNCEJC-SNVBAGLBSA-N 1 2 236.271 1.224 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000494449533 226265393 /nfs/dbraw/zinc/26/53/93/226265393.db2.gz BKFMQNPHSNCEJC-SNVBAGLBSA-N 1 2 236.271 1.224 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494957652 226272736 /nfs/dbraw/zinc/27/27/36/226272736.db2.gz VBUQADWDVYXNHL-OHVSUOQFSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccncc1 ZINC000494957652 226272737 /nfs/dbraw/zinc/27/27/37/226272737.db2.gz VBUQADWDVYXNHL-OHVSUOQFSA-N 1 2 246.310 1.732 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CCSCC1 ZINC000402114454 226364842 /nfs/dbraw/zinc/36/48/42/226364842.db2.gz CLSFINYVWJCIRJ-UHFFFAOYSA-N 1 2 225.317 1.169 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000507099862 226365264 /nfs/dbraw/zinc/36/52/64/226365264.db2.gz BSWGFOYTBSHYNO-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](CC)C1 ZINC000507099862 226365265 /nfs/dbraw/zinc/36/52/65/226365265.db2.gz BSWGFOYTBSHYNO-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2nc(C)no2)cn1 ZINC000507267690 226368168 /nfs/dbraw/zinc/36/81/68/226368168.db2.gz MYHJBVNLBJQJIO-QMMMGPOBSA-N 1 2 235.291 1.445 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000507371282 226368546 /nfs/dbraw/zinc/36/85/46/226368546.db2.gz ZBUCMQIKQVNLPX-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000507371282 226368547 /nfs/dbraw/zinc/36/85/47/226368547.db2.gz ZBUCMQIKQVNLPX-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)OCCCF ZINC000496066204 226295780 /nfs/dbraw/zinc/29/57/80/226295780.db2.gz DZNHTPHTKVPEPG-UHFFFAOYSA-N 1 2 243.282 1.749 20 0 BDADLO O=C(OCC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000496073768 226295992 /nfs/dbraw/zinc/29/59/92/226295992.db2.gz WWKHVEWSLSIQLZ-UHFFFAOYSA-N 1 2 221.260 1.286 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000672712687 487653779 /nfs/dbraw/zinc/65/37/79/487653779.db2.gz CGQHZQJJCQCFSR-PWSUYJOCSA-N 1 2 231.299 1.828 20 0 BDADLO CCC[C@H](CNc1cc(CO)cc[nH+]1)OC ZINC000393458391 487661360 /nfs/dbraw/zinc/66/13/60/487661360.db2.gz IQGVRQVBQXZJJX-LLVKDONJSA-N 1 2 224.304 1.801 20 0 BDADLO c1cc2n(n1)C[C@H](CNc1cccc[nH+]1)CN2 ZINC000675050099 487666456 /nfs/dbraw/zinc/66/64/56/487666456.db2.gz YKZKNGHPBOOVTC-SNVBAGLBSA-N 1 2 229.287 1.432 20 0 BDADLO CCc1cc(N2CCC[C@@H]3COC[C@@H]32)nc(C)[nH+]1 ZINC000665739473 487668380 /nfs/dbraw/zinc/66/83/80/487668380.db2.gz QZHDOIILQHNVBV-YPMHNXCESA-N 1 2 247.342 1.963 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccn(C)n1 ZINC000655777005 487670636 /nfs/dbraw/zinc/67/06/36/487670636.db2.gz PBJGLOYPFWVRFA-JQWIXIFHSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](O)C[C@@H]2C)c(C)c[nH+]1 ZINC000526075732 262759668 /nfs/dbraw/zinc/75/96/68/262759668.db2.gz WUYMVEYLWZZRAV-WDEREUQCSA-N 1 2 249.314 1.107 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccn(C)n1 ZINC000655777004 487671043 /nfs/dbraw/zinc/67/10/43/487671043.db2.gz PBJGLOYPFWVRFA-CMPLNLGQSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000680935330 487674613 /nfs/dbraw/zinc/67/46/13/487674613.db2.gz ZQWYIZDCOQEUFU-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000680935330 487674619 /nfs/dbraw/zinc/67/46/19/487674619.db2.gz ZQWYIZDCOQEUFU-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)OC)C[C@@H](CC)O1 ZINC000398594864 262763946 /nfs/dbraw/zinc/76/39/46/262763946.db2.gz BPHNONUUSHXYIM-HBNTYKKESA-N 1 2 229.320 1.437 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665875308 487688567 /nfs/dbraw/zinc/68/85/67/487688567.db2.gz CLGBSDCCYVVWAI-UWVGGRQHSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665875308 487688570 /nfs/dbraw/zinc/68/85/70/487688570.db2.gz CLGBSDCCYVVWAI-UWVGGRQHSA-N 1 2 235.331 1.819 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC12CCC(CC1)C2 ZINC000514624824 262808026 /nfs/dbraw/zinc/80/80/26/262808026.db2.gz WAOYESLSJCERCD-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO NC(=O)[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527884017 262890592 /nfs/dbraw/zinc/89/05/92/262890592.db2.gz FWWVIKQVICXIMU-NSHDSACASA-N 1 2 241.294 1.546 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCC12CC2 ZINC000528411047 262945171 /nfs/dbraw/zinc/94/51/71/262945171.db2.gz KBVVGYQGLNQLFK-SNVBAGLBSA-N 1 2 233.315 1.617 20 0 BDADLO CCOCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671710704 487703092 /nfs/dbraw/zinc/70/30/92/487703092.db2.gz LBRBIMFOEPDPJV-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CCOCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671710704 487703097 /nfs/dbraw/zinc/70/30/97/487703097.db2.gz LBRBIMFOEPDPJV-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccsc1 ZINC000309241125 487707527 /nfs/dbraw/zinc/70/75/27/487707527.db2.gz ASGZKSQMDJEOBO-MRVPVSSYSA-N 1 2 234.328 1.971 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC23CCC3)cc[nH+]1 ZINC000675331387 487708917 /nfs/dbraw/zinc/70/89/17/487708917.db2.gz RVVUPDAHMGHAJJ-NSHDSACASA-N 1 2 216.284 1.941 20 0 BDADLO Cc1nc(N(C[C@H]2CCOC2)C2CC2)cc[nH+]1 ZINC000184164677 487723884 /nfs/dbraw/zinc/72/38/84/487723884.db2.gz GCAKXNPAEJFENM-LLVKDONJSA-N 1 2 233.315 1.790 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CC12CCC2 ZINC000675412254 487724112 /nfs/dbraw/zinc/72/41/12/487724112.db2.gz MZQRFJFSEFKGGV-LLVKDONJSA-N 1 2 245.326 1.800 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)C[C@@H]2CCOC2)c[nH+]1 ZINC000675416369 487725276 /nfs/dbraw/zinc/72/52/76/487725276.db2.gz RXKXGUDPNKDBJA-SCZZXKLOSA-N 1 2 237.303 1.263 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000668421957 487725639 /nfs/dbraw/zinc/72/56/39/487725639.db2.gz LRDJYSKOPUSENB-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000668421957 487725642 /nfs/dbraw/zinc/72/56/42/487725642.db2.gz LRDJYSKOPUSENB-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2c[nH]cn2)c1 ZINC000668421957 487725645 /nfs/dbraw/zinc/72/56/45/487725645.db2.gz LRDJYSKOPUSENB-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2c[nH]cn2)c1 ZINC000668421957 487725646 /nfs/dbraw/zinc/72/56/46/487725646.db2.gz LRDJYSKOPUSENB-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO CCc1cc(NC2(CO)CCCC2)nc[nH+]1 ZINC000053070888 487731573 /nfs/dbraw/zinc/73/15/73/487731573.db2.gz HKYMDLYAVZPWTB-UHFFFAOYSA-N 1 2 221.304 1.756 20 0 BDADLO CN(Cc1ccoc1)c1nc[nH+]c2c1OCCN2 ZINC000665693956 487732948 /nfs/dbraw/zinc/73/29/48/487732948.db2.gz HOIANCHBHXQAQL-UHFFFAOYSA-N 1 2 246.270 1.510 20 0 BDADLO CN(Cc1ccoc1)c1[nH+]cnc2c1OCCN2 ZINC000665693956 487732953 /nfs/dbraw/zinc/73/29/53/487732953.db2.gz HOIANCHBHXQAQL-UHFFFAOYSA-N 1 2 246.270 1.510 20 0 BDADLO c1nc(N[C@H]2CCSC2)c2c([nH+]1)NCCO2 ZINC000665703402 487734343 /nfs/dbraw/zinc/73/43/43/487734343.db2.gz SPJNIRKDWKEZLN-ZETCQYMHSA-N 1 2 238.316 1.198 20 0 BDADLO c1nc2c(c(N[C@H]3CCSC3)[nH+]1)OCCN2 ZINC000665703402 487734349 /nfs/dbraw/zinc/73/43/49/487734349.db2.gz SPJNIRKDWKEZLN-ZETCQYMHSA-N 1 2 238.316 1.198 20 0 BDADLO CC1(C)CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665701044 487735045 /nfs/dbraw/zinc/73/50/45/487735045.db2.gz MTIMISQZYBGRKF-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CC1(C)CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665701044 487735050 /nfs/dbraw/zinc/73/50/50/487735050.db2.gz MTIMISQZYBGRKF-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CO[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000681136239 487735772 /nfs/dbraw/zinc/73/57/72/487735772.db2.gz QKDBPWVPDPGHGU-LBPRGKRZSA-N 1 2 247.298 1.944 20 0 BDADLO C[C@@H](N(C)c1nc[nH+]c2c1OCCN2)C1(C)CC1 ZINC000665705819 487736215 /nfs/dbraw/zinc/73/62/15/487736215.db2.gz YXLDCJFEPXUJRH-SECBINFHSA-N 1 2 248.330 1.906 20 0 BDADLO C[C@@H](N(C)c1[nH+]cnc2c1OCCN2)C1(C)CC1 ZINC000665705819 487736217 /nfs/dbraw/zinc/73/62/17/487736217.db2.gz YXLDCJFEPXUJRH-SECBINFHSA-N 1 2 248.330 1.906 20 0 BDADLO Cc1nc(-n2cnc(CCCO)c2)c(C)c(C)[nH+]1 ZINC000675548663 487746962 /nfs/dbraw/zinc/74/69/62/487746962.db2.gz YHVYAEFZRVYJLV-UHFFFAOYSA-N 1 2 246.314 1.512 20 0 BDADLO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000649450902 487748494 /nfs/dbraw/zinc/74/84/94/487748494.db2.gz CUKGOVDGIPSLGP-MWLCHTKSSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000649450902 487748498 /nfs/dbraw/zinc/74/84/98/487748498.db2.gz CUKGOVDGIPSLGP-MWLCHTKSSA-N 1 2 208.309 1.863 20 0 BDADLO COc1ccc(N[C@@H](C)c2[nH+]ccn2C)nc1 ZINC000679068870 487749203 /nfs/dbraw/zinc/74/92/03/487749203.db2.gz RJRGIKMSLKHYDV-VIFPVBQESA-N 1 2 232.287 1.997 20 0 BDADLO CCCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000748457758 585193203 /nfs/dbraw/zinc/19/32/03/585193203.db2.gz IWZOTIINQZQOGG-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000748457758 585193204 /nfs/dbraw/zinc/19/32/04/585193204.db2.gz IWZOTIINQZQOGG-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC(F)(F)C1 ZINC000675681635 487765399 /nfs/dbraw/zinc/76/53/99/487765399.db2.gz QUCDBDYVDAKHLF-VIFPVBQESA-N 1 2 243.257 1.577 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666237324 487765887 /nfs/dbraw/zinc/76/58/87/487765887.db2.gz CLLZUALXBIFPQQ-LLVKDONJSA-N 1 2 247.342 1.821 20 0 BDADLO O=C(NCC1CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666237324 487765892 /nfs/dbraw/zinc/76/58/92/487765892.db2.gz CLLZUALXBIFPQQ-LLVKDONJSA-N 1 2 247.342 1.821 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668923623 487766527 /nfs/dbraw/zinc/76/65/27/487766527.db2.gz CSNLVBUJYIXHFC-WDEREUQCSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668923623 487766532 /nfs/dbraw/zinc/76/65/32/487766532.db2.gz CSNLVBUJYIXHFC-WDEREUQCSA-N 1 2 245.326 1.740 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1(C)CC1)CC2 ZINC000364688726 487775005 /nfs/dbraw/zinc/77/50/05/487775005.db2.gz YXUZIYIQPKNEFW-UHFFFAOYSA-N 1 2 219.288 1.334 20 0 BDADLO C[C@H]1SCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000383752029 487782151 /nfs/dbraw/zinc/78/21/51/487782151.db2.gz FAUJEMADXWJVSA-VXNVDRBHSA-N 1 2 249.343 1.669 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000763911332 585456701 /nfs/dbraw/zinc/45/67/01/585456701.db2.gz KWJJRLAZDUWXDM-AZVKUDOFSA-N 1 2 237.752 1.248 20 0 BDADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000763911332 585456702 /nfs/dbraw/zinc/45/67/02/585456702.db2.gz KWJJRLAZDUWXDM-AZVKUDOFSA-N 1 2 237.752 1.248 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668462408 487784986 /nfs/dbraw/zinc/78/49/86/487784986.db2.gz CQQHRBKGBATBSQ-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668462408 487784991 /nfs/dbraw/zinc/78/49/91/487784991.db2.gz CQQHRBKGBATBSQ-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cc(=O)n(Cc2ccc(C)[nH+]c2C)cn1 ZINC000681371016 487787518 /nfs/dbraw/zinc/78/75/18/487787518.db2.gz CFBAUDQVBPLCME-UHFFFAOYSA-N 1 2 229.283 1.612 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225717 487788825 /nfs/dbraw/zinc/78/88/25/487788825.db2.gz RBEPDDAAWAHPSS-WOPDTQHZSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225717 487788821 /nfs/dbraw/zinc/78/88/21/487788821.db2.gz RBEPDDAAWAHPSS-WOPDTQHZSA-N 1 2 244.354 1.827 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226476 487789518 /nfs/dbraw/zinc/78/95/18/487789518.db2.gz SEHIFZPVHFHRPP-KKZNHRDASA-N 1 2 228.311 1.333 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226476 487789521 /nfs/dbraw/zinc/78/95/21/487789521.db2.gz SEHIFZPVHFHRPP-KKZNHRDASA-N 1 2 228.311 1.333 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000359855153 487790570 /nfs/dbraw/zinc/79/05/70/487790570.db2.gz XEXRBYSNDDUVJE-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO COC(=O)[C@@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000591199817 487791140 /nfs/dbraw/zinc/79/11/40/487791140.db2.gz DPOFMJXBCWDZPM-ZDUSSCGKSA-N 1 2 249.314 1.565 20 0 BDADLO Cc1cc(C)n(CCCn2cc[nH+]c2)n1 ZINC000108657781 487812211 /nfs/dbraw/zinc/81/22/11/487812211.db2.gz AQCYVQZKSJOXIM-UHFFFAOYSA-N 1 2 204.277 1.787 20 0 BDADLO CCn1ccc(NC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000666492728 487820596 /nfs/dbraw/zinc/82/05/96/487820596.db2.gz TYNIMRYLGYYDIZ-UHFFFAOYSA-N 1 2 245.286 1.672 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](CO)C2CCC2)cc[nH+]1 ZINC000666492799 487820413 /nfs/dbraw/zinc/82/04/13/487820413.db2.gz UWOIKFNWXJETMB-LBPRGKRZSA-N 1 2 249.314 1.094 20 0 BDADLO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000229115731 487820868 /nfs/dbraw/zinc/82/08/68/487820868.db2.gz GVPMMMJGMYCJJE-IUCAKERBSA-N 1 2 241.360 1.708 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCC(C)(C)OC ZINC000786746472 585896969 /nfs/dbraw/zinc/89/69/69/585896969.db2.gz GLKJJRYRCIYNJK-MRVPVSSYSA-N 1 2 218.297 1.335 20 0 BDADLO CC(C)=CC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795654928 586089981 /nfs/dbraw/zinc/08/99/81/586089981.db2.gz UFZNUPYRODLDBH-SNVBAGLBSA-N 1 2 211.305 1.979 20 0 BDADLO CCOCC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795649101 586090066 /nfs/dbraw/zinc/09/00/66/586090066.db2.gz BBWYYSMDXVPKQK-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795649101 586090067 /nfs/dbraw/zinc/09/00/67/586090067.db2.gz BBWYYSMDXVPKQK-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1coc(C2CC2)n1 ZINC000681639349 487827833 /nfs/dbraw/zinc/82/78/33/487827833.db2.gz XMBRJJVKYSYBTO-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO O=C(CCCC1CC1)NC1=[NH+]CCS1 ZINC000812447708 586577453 /nfs/dbraw/zinc/57/74/53/586577453.db2.gz LJKVMEVKYRFQRZ-UHFFFAOYSA-N 1 2 212.318 1.786 20 0 BDADLO CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492861932 528018214 /nfs/dbraw/zinc/01/82/14/528018214.db2.gz KEKISKXIWIROCB-ARJAWSKDSA-N 1 2 205.261 1.482 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668090145 487833592 /nfs/dbraw/zinc/83/35/92/487833592.db2.gz GRMOCSVKLMSPFS-SECBINFHSA-N 1 2 245.286 1.153 20 0 BDADLO CCCn1nccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000668112256 487841596 /nfs/dbraw/zinc/84/15/96/487841596.db2.gz KGQNGAVEENJFLL-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CCCn1nccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000668112256 487841591 /nfs/dbraw/zinc/84/15/91/487841591.db2.gz KGQNGAVEENJFLL-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CC1(O)C[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000089647183 487842245 /nfs/dbraw/zinc/84/22/45/487842245.db2.gz JTJZEJYSWOOYFI-UHFFFAOYSA-N 1 2 246.285 1.941 20 0 BDADLO COc1cc(C[NH+]2CCSCC2)sn1 ZINC000659843729 487845069 /nfs/dbraw/zinc/84/50/69/487845069.db2.gz YPIYMAHEKHXUOO-UHFFFAOYSA-N 1 2 230.358 1.701 20 0 BDADLO Cc1ccn([C@H](C)CC(=O)NCc2c[nH+]c[nH]2)n1 ZINC000668996286 487844680 /nfs/dbraw/zinc/84/46/80/487844680.db2.gz XUNJDMWIZCLAEL-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO Cc1ccn([C@H](C)CC(=O)NCc2c[nH]c[nH+]2)n1 ZINC000668996286 487844682 /nfs/dbraw/zinc/84/46/82/487844682.db2.gz XUNJDMWIZCLAEL-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO COCC[N@H+](C)Cn1ccc(Br)n1 ZINC000308362116 631305568 /nfs/dbraw/zinc/30/55/68/631305568.db2.gz MLSMUCLKISWZEO-UHFFFAOYSA-N 1 2 248.124 1.181 20 0 BDADLO COCC[N@@H+](C)Cn1ccc(Br)n1 ZINC000308362116 631305575 /nfs/dbraw/zinc/30/55/75/631305575.db2.gz MLSMUCLKISWZEO-UHFFFAOYSA-N 1 2 248.124 1.181 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nc(C(C)C)no1 ZINC000674469386 487854560 /nfs/dbraw/zinc/85/45/60/487854560.db2.gz HYMSPMCVDCOUSY-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000674469386 487854564 /nfs/dbraw/zinc/85/45/64/487854564.db2.gz HYMSPMCVDCOUSY-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CCN(C[C@H]1CCOC1)c1cc(C)[nH+]cn1 ZINC000676491633 487856157 /nfs/dbraw/zinc/85/61/57/487856157.db2.gz HPDDYGNPFHUSOW-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO CNC(=O)c1cnc(/C=C/c2cn(C)c[nH+]2)s1 ZINC000669819003 487858105 /nfs/dbraw/zinc/85/81/05/487858105.db2.gz IDJZENMODIVDCI-ONEGZZNKSA-N 1 2 248.311 1.407 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681800301 487864704 /nfs/dbraw/zinc/86/47/04/487864704.db2.gz CXQUZOFSVBHWIW-UWVGGRQHSA-N 1 2 234.303 1.002 20 0 BDADLO C[C@H](C[N@H+](C)Cc1nnc[nH]1)C(C)(C)C ZINC000670264629 487867281 /nfs/dbraw/zinc/86/72/81/487867281.db2.gz GHJUBGWFUBVNIY-SECBINFHSA-N 1 2 210.325 1.919 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1nnc[nH]1)C(C)(C)C ZINC000670264629 487867286 /nfs/dbraw/zinc/86/72/86/487867286.db2.gz GHJUBGWFUBVNIY-SECBINFHSA-N 1 2 210.325 1.919 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666751935 487872332 /nfs/dbraw/zinc/87/23/32/487872332.db2.gz NAMMUXYGXSRHMA-SNVBAGLBSA-N 1 2 233.315 1.383 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666751935 487872338 /nfs/dbraw/zinc/87/23/38/487872338.db2.gz NAMMUXYGXSRHMA-SNVBAGLBSA-N 1 2 233.315 1.383 20 0 BDADLO Cn1ncc(Cl)c1C[NH2+]Cc1nccs1 ZINC000130587277 322962870 /nfs/dbraw/zinc/96/28/70/322962870.db2.gz NZYPREKJVPRUTO-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H]1CC12CC2 ZINC000569354008 322963206 /nfs/dbraw/zinc/96/32/06/322963206.db2.gz VWKWQANDZJDDAD-ZJUUUORDSA-N 1 2 248.330 1.816 20 0 BDADLO CCn1nccc1-c1c[nH+]c(N)c(C)c1 ZINC000129734658 487877435 /nfs/dbraw/zinc/87/74/35/487877435.db2.gz HQVFPDSPHKJLTQ-UHFFFAOYSA-N 1 2 202.261 1.856 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000682032356 487885021 /nfs/dbraw/zinc/88/50/21/487885021.db2.gz BYTXLNLYLAHBGS-QWRGUYRKSA-N 1 2 249.301 1.648 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC[C@@H]1CCCCO1 ZINC000682032356 487885027 /nfs/dbraw/zinc/88/50/27/487885027.db2.gz BYTXLNLYLAHBGS-QWRGUYRKSA-N 1 2 249.301 1.648 20 0 BDADLO COc1cc(C)[nH+]c(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000494685795 533699540 /nfs/dbraw/zinc/69/95/40/533699540.db2.gz OTUMIIKBHSRWJU-ZDUSSCGKSA-N 1 2 248.326 1.355 20 0 BDADLO CC[C@H](NC(=O)CCn1cccc1)c1[nH]cc[nH+]1 ZINC000682041042 487888055 /nfs/dbraw/zinc/88/80/55/487888055.db2.gz HDJDTJWYOULJMZ-NSHDSACASA-N 1 2 246.314 1.869 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000676695346 487892139 /nfs/dbraw/zinc/89/21/39/487892139.db2.gz LUPWPDZQVFPHRC-ZYHUDNBSSA-N 1 2 247.342 1.608 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668535628 487898125 /nfs/dbraw/zinc/89/81/25/487898125.db2.gz JAFMGRGHFKOIRM-MYJAWHEDSA-N 1 2 219.288 1.115 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nccn1C ZINC000676713627 487902014 /nfs/dbraw/zinc/90/20/14/487902014.db2.gz RADSZUGUEYXSJZ-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nccn1C ZINC000676713627 487902017 /nfs/dbraw/zinc/90/20/17/487902017.db2.gz RADSZUGUEYXSJZ-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]2C[C@@H]21 ZINC000672323013 487902713 /nfs/dbraw/zinc/90/27/13/487902713.db2.gz UNJNMRXIBDANOU-SCZZXKLOSA-N 1 2 229.287 1.352 20 0 BDADLO CCC[C@H](O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000676749954 487916311 /nfs/dbraw/zinc/91/63/11/487916311.db2.gz IBPGGMABGGQFMD-NSHDSACASA-N 1 2 247.298 1.824 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@@H]1C[C@H]1C1CC1 ZINC000654403769 487917963 /nfs/dbraw/zinc/91/79/63/487917963.db2.gz LLRWNZRCIMKDOL-STQMWFEESA-N 1 2 247.342 1.826 20 0 BDADLO COc1ncccc1C[NH2+]Cc1cc(C)no1 ZINC000095006951 487924414 /nfs/dbraw/zinc/92/44/14/487924414.db2.gz ORRSWVJBIMIWHQ-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000669066884 487927874 /nfs/dbraw/zinc/92/78/74/487927874.db2.gz VPNLQZMQPZVNFM-NNYUYHANSA-N 1 2 247.342 1.781 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)n1 ZINC000682220895 487928194 /nfs/dbraw/zinc/92/81/94/487928194.db2.gz NGWYSFCOTVUYKH-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)n1 ZINC000682220895 487928196 /nfs/dbraw/zinc/92/81/96/487928196.db2.gz NGWYSFCOTVUYKH-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO COc1cc[nH+]c(CN2CCc3c[nH]nc3C2)c1 ZINC000676797351 487933036 /nfs/dbraw/zinc/93/30/36/487933036.db2.gz JREVCYZEWUQODS-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC/C=C\CO ZINC000667063057 487935572 /nfs/dbraw/zinc/93/55/72/487935572.db2.gz VYEWEWWSBXSPNR-ARJAWSKDSA-N 1 2 235.287 1.368 20 0 BDADLO CC(C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676842520 487936207 /nfs/dbraw/zinc/93/62/07/487936207.db2.gz VFDUUKSMBWPPQN-GFCCVEGCSA-N 1 2 249.358 1.950 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523637 487943503 /nfs/dbraw/zinc/94/35/03/487943503.db2.gz CUSXFYAKWWECQU-MRVPVSSYSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523637 487943508 /nfs/dbraw/zinc/94/35/08/487943508.db2.gz CUSXFYAKWWECQU-MRVPVSSYSA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)CC[C@@H](O)C[NH+]1CC(C)(F)C1 ZINC000684608057 487945565 /nfs/dbraw/zinc/94/55/65/487945565.db2.gz UUFBMZWBRHHGPY-SNVBAGLBSA-N 1 2 203.301 1.827 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(O)cc2)CC1=O ZINC000682406147 487949293 /nfs/dbraw/zinc/94/92/93/487949293.db2.gz BRWAZXNVGPSPPF-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(O)cc2)CC1=O ZINC000682406147 487949300 /nfs/dbraw/zinc/94/93/00/487949300.db2.gz BRWAZXNVGPSPPF-UHFFFAOYSA-N 1 2 234.299 1.056 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1(C2CC2)CC1 ZINC000676988833 487951190 /nfs/dbraw/zinc/95/11/90/487951190.db2.gz XHSDMBRWKVPKLP-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CCC[C@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000556842062 322928649 /nfs/dbraw/zinc/92/86/49/322928649.db2.gz LYCUBUVCRCNYOR-QMMMGPOBSA-N 1 2 236.319 1.250 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1csc(N)n1 ZINC000568248417 322930305 /nfs/dbraw/zinc/93/03/05/322930305.db2.gz PZYMVSKZAIPZRU-UHFFFAOYSA-N 1 2 249.343 1.039 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000561106136 322995488 /nfs/dbraw/zinc/99/54/88/322995488.db2.gz GCKHCNDUWXRJQQ-UHFFFAOYSA-N 1 2 236.359 1.633 20 0 BDADLO CC(C)(O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000427521636 323000664 /nfs/dbraw/zinc/00/06/64/323000664.db2.gz LGELSYLSYZESTO-UHFFFAOYSA-N 1 2 245.282 1.582 20 0 BDADLO Cc1ccoc1CNC(=O)Cn1cc[nH+]c1 ZINC000561403832 323001225 /nfs/dbraw/zinc/00/12/25/323001225.db2.gz NMICCEKFDAZEEN-UHFFFAOYSA-N 1 2 219.244 1.101 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000561533810 323003598 /nfs/dbraw/zinc/00/35/98/323003598.db2.gz IBLSBYNBTPGGLA-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO CC(C)(C(=O)N[C@H]1C[C@@H]1C(F)F)c1c[nH]c[nH+]1 ZINC000561693743 323005649 /nfs/dbraw/zinc/00/56/49/323005649.db2.gz SLHNCJREAGULOG-BQBZGAKWSA-N 1 2 243.257 1.457 20 0 BDADLO CC(C)[C@H]1N(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000562257954 323014052 /nfs/dbraw/zinc/01/40/52/323014052.db2.gz MRSKFMBXVFGFPX-CYBMUJFWSA-N 1 2 249.358 1.856 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000562316922 323016106 /nfs/dbraw/zinc/01/61/06/323016106.db2.gz ZKQGQNGJZBXNLV-GFCCVEGCSA-N 1 2 245.326 1.793 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000562316922 323016107 /nfs/dbraw/zinc/01/61/07/323016107.db2.gz ZKQGQNGJZBXNLV-GFCCVEGCSA-N 1 2 245.326 1.793 20 0 BDADLO O=C1NCC[C@@H]1CC[N@@H+](CC(F)F)C1CC1 ZINC000562477159 323021421 /nfs/dbraw/zinc/02/14/21/323021421.db2.gz ADHXMGGLWWRFGL-MRVPVSSYSA-N 1 2 232.274 1.242 20 0 BDADLO O=C1NCC[C@@H]1CC[N@H+](CC(F)F)C1CC1 ZINC000562477159 323021422 /nfs/dbraw/zinc/02/14/22/323021422.db2.gz ADHXMGGLWWRFGL-MRVPVSSYSA-N 1 2 232.274 1.242 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000562778844 323030480 /nfs/dbraw/zinc/03/04/80/323030480.db2.gz DSJZRAVSDFKZQP-QWRGUYRKSA-N 1 2 235.331 1.824 20 0 BDADLO CC(C)N(CC(F)F)C(=O)Cn1cc[nH+]c1 ZINC000562915011 323033413 /nfs/dbraw/zinc/03/34/13/323033413.db2.gz XVVHMFBBXPLMNQ-UHFFFAOYSA-N 1 2 231.246 1.385 20 0 BDADLO Cc1nc(NCCCOCC(F)(F)F)cc[nH+]1 ZINC000525706550 323038594 /nfs/dbraw/zinc/03/85/94/323038594.db2.gz WEUHSCMOAMSWTM-UHFFFAOYSA-N 1 2 249.236 1.588 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](CCCO)C1 ZINC000569745672 323039733 /nfs/dbraw/zinc/03/97/33/323039733.db2.gz ZHGIBYMVFUPUII-LBPRGKRZSA-N 1 2 235.331 1.692 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000569878233 323043495 /nfs/dbraw/zinc/04/34/95/323043495.db2.gz IZYFNSRLXMQWPT-WDEREUQCSA-N 1 2 235.331 1.467 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccn(C(C)C)n2)cn1 ZINC000570115945 323050460 /nfs/dbraw/zinc/05/04/60/323050460.db2.gz RVAITJHOMLXSFM-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO Cc1ccc(C)c(C[N@@H+]2CCn3nncc3C2)c1 ZINC000570173529 323051907 /nfs/dbraw/zinc/05/19/07/323051907.db2.gz JBOMYJNTIKSDIU-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1ccc(C)c(C[N@H+]2CCn3nncc3C2)c1 ZINC000570173529 323051908 /nfs/dbraw/zinc/05/19/08/323051908.db2.gz JBOMYJNTIKSDIU-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)[nH]n1 ZINC000570337586 323056909 /nfs/dbraw/zinc/05/69/09/323056909.db2.gz BKVHLNBJXUJJPV-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO CN(CCC1CC1)C(=O)Cc1c[nH+]cn1C ZINC000570422053 323059065 /nfs/dbraw/zinc/05/90/65/323059065.db2.gz KQSRXVQCQMWIFE-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO Cc1[nH]c(CNCc2nccs2)[nH+]c1C ZINC000570699280 323067920 /nfs/dbraw/zinc/06/79/20/323067920.db2.gz UDNIGZLPDPKNBK-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO CNC(=O)CCSc1[nH+]cnc2[nH]ccc21 ZINC000570851583 323072614 /nfs/dbraw/zinc/07/26/14/323072614.db2.gz QQXBGBOECIQGSN-UHFFFAOYSA-N 1 2 236.300 1.186 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000570866103 323073094 /nfs/dbraw/zinc/07/30/94/323073094.db2.gz JQFHXTMZZTVBJX-SDDRHHMPSA-N 1 2 233.315 1.301 20 0 BDADLO c1cc(OCc2nnc(C3CC3)o2)cc[nH+]1 ZINC000570885655 323073300 /nfs/dbraw/zinc/07/33/00/323073300.db2.gz RVMJPUCFNRMIQA-UHFFFAOYSA-N 1 2 217.228 1.921 20 0 BDADLO CCc1noc([C@@H](C)[NH+]2CCC(C)(O)CC2)n1 ZINC000177303928 323077220 /nfs/dbraw/zinc/07/72/20/323077220.db2.gz FIIRKHZOISEXAD-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567741396 323079964 /nfs/dbraw/zinc/07/99/64/323079964.db2.gz UCPPVWBDBBIWSF-VHSXEESVSA-N 1 2 237.303 1.318 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000563067082 323084285 /nfs/dbraw/zinc/08/42/85/323084285.db2.gz DCXGTCPUCVTLPA-NWDGAFQWSA-N 1 2 248.330 1.060 20 0 BDADLO O=c1cc(Cn2cc[nH+]c2)nc(C2CC2)[nH]1 ZINC000563094257 323092027 /nfs/dbraw/zinc/09/20/27/323092027.db2.gz TVBPAADRYUYBGK-UHFFFAOYSA-N 1 2 216.244 1.304 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@]23C[C@H]2CCC3)c[nH+]1 ZINC000563195479 323101101 /nfs/dbraw/zinc/10/11/01/323101101.db2.gz PSQIGJKRDIOHRG-ZWNOBZJWSA-N 1 2 246.314 1.004 20 0 BDADLO COc1ccc[nH+]c1NCCOCC1CC1 ZINC000234949060 323105743 /nfs/dbraw/zinc/10/57/43/323105743.db2.gz PEBMURCUCBUUCX-UHFFFAOYSA-N 1 2 222.288 1.929 20 0 BDADLO CN(c1cc(NC2CC2)[nH+]cn1)[C@H]1CCOC1 ZINC000563305246 323109094 /nfs/dbraw/zinc/10/90/94/323109094.db2.gz VSCAIXRISFNNGX-JTQLQIEISA-N 1 2 234.303 1.276 20 0 BDADLO CN(c1cc(NC2CC2)nc[nH+]1)[C@H]1CCOC1 ZINC000563305246 323109095 /nfs/dbraw/zinc/10/90/95/323109095.db2.gz VSCAIXRISFNNGX-JTQLQIEISA-N 1 2 234.303 1.276 20 0 BDADLO CN(c1cc(NC2CC2)[nH+]cn1)[C@@H]1CCOC1 ZINC000563305247 323109103 /nfs/dbraw/zinc/10/91/03/323109103.db2.gz VSCAIXRISFNNGX-SNVBAGLBSA-N 1 2 234.303 1.276 20 0 BDADLO CN(c1cc(NC2CC2)nc[nH+]1)[C@@H]1CCOC1 ZINC000563305247 323109104 /nfs/dbraw/zinc/10/91/04/323109104.db2.gz VSCAIXRISFNNGX-SNVBAGLBSA-N 1 2 234.303 1.276 20 0 BDADLO CC(C)OC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000531549223 323109488 /nfs/dbraw/zinc/10/94/88/323109488.db2.gz CWNRVFBWFWUCSG-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000531575739 323110221 /nfs/dbraw/zinc/11/02/21/323110221.db2.gz YOVCIIACCBNFHV-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000531575739 323110222 /nfs/dbraw/zinc/11/02/22/323110222.db2.gz YOVCIIACCBNFHV-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nc(C2CC2)no1 ZINC000531829023 323115106 /nfs/dbraw/zinc/11/51/06/323115106.db2.gz JYAJGZPIKZZYKG-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000531829023 323115107 /nfs/dbraw/zinc/11/51/07/323115107.db2.gz JYAJGZPIKZZYKG-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)[N@H+](Cc1cnnn1C)Cc1ccccn1 ZINC000534347437 323117437 /nfs/dbraw/zinc/11/74/37/323117437.db2.gz LNYZMIAKBRXQRL-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC(C)[N@@H+](Cc1cnnn1C)Cc1ccccn1 ZINC000534347437 323117438 /nfs/dbraw/zinc/11/74/38/323117438.db2.gz LNYZMIAKBRXQRL-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C ZINC000563382537 323121996 /nfs/dbraw/zinc/12/19/96/323121996.db2.gz CCFDCMBQDANAOH-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C ZINC000563382537 323121997 /nfs/dbraw/zinc/12/19/97/323121997.db2.gz CCFDCMBQDANAOH-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO CCC(=O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000563385051 323122037 /nfs/dbraw/zinc/12/20/37/323122037.db2.gz JVUXJGYLPRCODA-UHFFFAOYSA-N 1 2 245.282 1.352 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000563411868 323124798 /nfs/dbraw/zinc/12/47/98/323124798.db2.gz GMHWORJPWZDQCN-DJLDLDEBSA-N 1 2 207.277 1.633 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)nc1 ZINC000571461968 323145456 /nfs/dbraw/zinc/14/54/56/323145456.db2.gz KTKZTXKVIGPMAM-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)nc1 ZINC000571461968 323145457 /nfs/dbraw/zinc/14/54/57/323145457.db2.gz KTKZTXKVIGPMAM-SNVBAGLBSA-N 1 2 244.298 1.930 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC/C=C\c1ccccc1 ZINC000571472391 323145538 /nfs/dbraw/zinc/14/55/38/323145538.db2.gz JVARGMRSFNDDPK-DAXSKMNVSA-N 1 2 241.294 1.713 20 0 BDADLO Cc1ccnc(CNc2nc(C)[nH+]cc2C)c1 ZINC000571581341 323148593 /nfs/dbraw/zinc/14/85/93/323148593.db2.gz MJVKKBBDTIGVQM-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)Cc2ccccc2)no1 ZINC000563707722 323174583 /nfs/dbraw/zinc/17/45/83/323174583.db2.gz MLMFZWNAQWLAEI-LBPRGKRZSA-N 1 2 247.298 1.071 20 0 BDADLO Cc1noc(C[NH2+][C@@H](CO)c2ccccc2C)n1 ZINC000541980825 323183419 /nfs/dbraw/zinc/18/34/19/323183419.db2.gz HJGQJMJAQOBNMS-LBPRGKRZSA-N 1 2 247.298 1.510 20 0 BDADLO Cc1cc(CC(=O)Nc2cc(C)[nH+]cc2C)no1 ZINC000535748655 323190465 /nfs/dbraw/zinc/19/04/65/323190465.db2.gz VOVYVEJWECJABN-UHFFFAOYSA-N 1 2 245.282 1.598 20 0 BDADLO CNC(=O)C(C)(C)CNc1[nH+]cccc1OC ZINC000230401607 323215007 /nfs/dbraw/zinc/21/50/07/323215007.db2.gz VFVDGIPUQFZWHQ-UHFFFAOYSA-N 1 2 237.303 1.274 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NCc1ccoc1 ZINC000042897876 323253029 /nfs/dbraw/zinc/25/30/29/323253029.db2.gz VHXXPTSEEXAONA-UHFFFAOYSA-N 1 2 248.286 1.366 20 0 BDADLO Cc1ccnc(NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000532352732 323256401 /nfs/dbraw/zinc/25/64/01/323256401.db2.gz ZMEJFKJAPZPHPQ-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1ccnc(NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000532352732 323256404 /nfs/dbraw/zinc/25/64/04/323256404.db2.gz ZMEJFKJAPZPHPQ-GFCCVEGCSA-N 1 2 235.331 1.523 20 0 BDADLO CCOCCN(C)c1nc(C)[nH+]cc1C ZINC000563976200 323338173 /nfs/dbraw/zinc/33/81/73/323338173.db2.gz MKYHDOJDXXFYBG-UHFFFAOYSA-N 1 2 209.293 1.566 20 0 BDADLO c1ccc(NCc2noc(C3CC3)n2)[nH+]c1 ZINC000309607447 323431090 /nfs/dbraw/zinc/43/10/90/323431090.db2.gz LQFXPGIUZPZUAS-UHFFFAOYSA-N 1 2 216.244 1.954 20 0 BDADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548327999 323650557 /nfs/dbraw/zinc/65/05/57/323650557.db2.gz ABMIMKDLESUOQW-YPMHNXCESA-N 1 2 249.358 2.000 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@](F)(CO)C1 ZINC000528008952 323748037 /nfs/dbraw/zinc/74/80/37/323748037.db2.gz LMSJUHFJSCHVNF-LLVKDONJSA-N 1 2 226.251 1.001 20 0 BDADLO CCOC[C@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000528188936 323776268 /nfs/dbraw/zinc/77/62/68/323776268.db2.gz HIAHBJVCYDXLIG-LLVKDONJSA-N 1 2 237.303 1.027 20 0 BDADLO Cc1nc(NCC2COC2)c2c([nH+]1)CCCC2 ZINC000528226446 323786388 /nfs/dbraw/zinc/78/63/88/323786388.db2.gz SITLCSHONQCOQS-UHFFFAOYSA-N 1 2 233.315 1.144 20 0 BDADLO C[C@@H](NC(=O)NC1(C)CCC1)c1[nH+]ccn1C ZINC000667253097 487961621 /nfs/dbraw/zinc/96/16/21/487961621.db2.gz XYQIUCFKPIBBLI-SECBINFHSA-N 1 2 236.319 1.723 20 0 BDADLO COc1ccc[nH+]c1NCCC[S@](C)=O ZINC000229296174 323925044 /nfs/dbraw/zinc/92/50/44/323925044.db2.gz KGLXMOVQXKNIDL-HNNXBMFYSA-N 1 2 228.317 1.271 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(Cl)c[nH]1 ZINC000123088490 324081095 /nfs/dbraw/zinc/08/10/95/324081095.db2.gz LHRYQIBQMGJIAR-UHFFFAOYSA-N 1 2 238.678 1.364 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000187637207 324183926 /nfs/dbraw/zinc/18/39/26/324183926.db2.gz UYZAEJPYQVZDFK-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1cocc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000529404560 324287944 /nfs/dbraw/zinc/28/79/44/324287944.db2.gz OLQFVIYKDLWZBH-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1cocc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000529404560 324287949 /nfs/dbraw/zinc/28/79/49/324287949.db2.gz OLQFVIYKDLWZBH-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1)c1[nH]cc[nH+]1 ZINC000529412922 324289824 /nfs/dbraw/zinc/28/98/24/324289824.db2.gz JYZKHUVYUMOEKW-SCVMZPAESA-N 1 2 233.315 1.879 20 0 BDADLO C[C@@H](NC(=O)c1cnn(C2CC2)c1)c1[nH]cc[nH+]1 ZINC000529412975 324290178 /nfs/dbraw/zinc/29/01/78/324290178.db2.gz LEKGTHYDLVXNJB-MRVPVSSYSA-N 1 2 245.286 1.432 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2cccnn2)c2[nH+]ccn21 ZINC000529457011 324305014 /nfs/dbraw/zinc/30/50/14/324305014.db2.gz IGUSCBBQJXOTIW-SCZZXKLOSA-N 1 2 243.270 1.109 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCCOC2)c[nH+]1 ZINC000529600902 324359713 /nfs/dbraw/zinc/35/97/13/324359713.db2.gz MYPQGFQBAZVCTO-JTQLQIEISA-N 1 2 237.303 1.265 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]23C[C@@H]2COC3(C)C)c[nH+]1 ZINC000529784915 324397391 /nfs/dbraw/zinc/39/73/91/324397391.db2.gz LPSXMJBRFRQDAW-PELKAZGASA-N 1 2 235.287 1.015 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+]CC(F)(F)CO)OC ZINC000639053438 487965025 /nfs/dbraw/zinc/96/50/25/487965025.db2.gz HJNRZFVGFAXUPT-IUCAKERBSA-N 1 2 225.279 1.265 20 0 BDADLO Cc1cnc(C(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000072709741 325168174 /nfs/dbraw/zinc/16/81/74/325168174.db2.gz YCDJPSHLHCFQCU-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO Cc1noc(CCC[NH+]2CC(C(F)(F)F)C2)n1 ZINC000564293393 325232342 /nfs/dbraw/zinc/23/23/42/325232342.db2.gz JZFRJLLDJRXVLF-UHFFFAOYSA-N 1 2 249.236 1.805 20 0 BDADLO CCCc1noc(C[N@H+](C)CCSC)n1 ZINC000134196905 325348038 /nfs/dbraw/zinc/34/80/38/325348038.db2.gz RNKKSOMNEHECLP-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCCc1noc(C[N@@H+](C)CCSC)n1 ZINC000134196905 325348039 /nfs/dbraw/zinc/34/80/39/325348039.db2.gz RNKKSOMNEHECLP-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000547422210 325352720 /nfs/dbraw/zinc/35/27/20/325352720.db2.gz CYUVZNNDWGYAIR-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000547422210 325352721 /nfs/dbraw/zinc/35/27/21/325352721.db2.gz CYUVZNNDWGYAIR-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCC(F)(F)F ZINC000547482339 325361397 /nfs/dbraw/zinc/36/13/97/325361397.db2.gz PYBPCKVBUMJGSY-UHFFFAOYSA-N 1 2 249.236 1.421 20 0 BDADLO Cc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000134493586 325361425 /nfs/dbraw/zinc/36/14/25/325361425.db2.gz FPCWLKIDCMURLM-UHFFFAOYSA-N 1 2 229.283 1.691 20 0 BDADLO O=C(Cc1cccc(F)c1)NCCc1[nH]cc[nH+]1 ZINC000134499080 325362006 /nfs/dbraw/zinc/36/20/06/325362006.db2.gz OUXOHXUSNDPCAD-UHFFFAOYSA-N 1 2 247.273 1.450 20 0 BDADLO Cc1ccc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000135071745 325391770 /nfs/dbraw/zinc/39/17/70/325391770.db2.gz ZARRSDTXCNETJS-SNAWJCMRSA-N 1 2 245.282 1.683 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1F ZINC000135072911 325391989 /nfs/dbraw/zinc/39/19/89/325391989.db2.gz WHMMTLGFJCVQNT-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)o1 ZINC000135072543 325392026 /nfs/dbraw/zinc/39/20/26/325392026.db2.gz DDPJNHOKWQSZNB-UHFFFAOYSA-N 1 2 233.271 1.592 20 0 BDADLO Cc1ccn2cc(CNc3cccnn3)[nH+]c2c1 ZINC000547762797 325393168 /nfs/dbraw/zinc/39/31/68/325393168.db2.gz NWEGQVMBAIXRRV-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO CCc1nnc(C[NH2+]C(C)(C)c2cnn(C)c2)[nH]1 ZINC000547790950 325398848 /nfs/dbraw/zinc/39/88/48/325398848.db2.gz MXFRTNBESPTIBH-UHFFFAOYSA-N 1 2 248.334 1.126 20 0 BDADLO c1cn(C[C@H]2CN(c3ccccc3)CCO2)c[nH+]1 ZINC000653572380 487968610 /nfs/dbraw/zinc/96/86/10/487968610.db2.gz BGWXCQACRQZJDP-AWEZNQCLSA-N 1 2 243.310 1.789 20 0 BDADLO CS[C@H](C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000553197734 325680818 /nfs/dbraw/zinc/68/08/18/325680818.db2.gz AUPDDZYGJOFBMI-SECBINFHSA-N 1 2 230.377 1.196 20 0 BDADLO Cc1cc(C)n(CC[NH2+][C@@H](C)c2nnc(C)o2)n1 ZINC000554870232 325739133 /nfs/dbraw/zinc/73/91/33/325739133.db2.gz QAKVXVHOFFJNCM-JTQLQIEISA-N 1 2 249.318 1.542 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cn(C)nn1 ZINC000564852155 325816773 /nfs/dbraw/zinc/81/67/73/325816773.db2.gz ADAWBXNFFWROJH-UHFFFAOYSA-N 1 2 220.280 1.205 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@@H](C)[S@](C)=O ZINC000565229560 325882073 /nfs/dbraw/zinc/88/20/73/325882073.db2.gz SCPSGWLADUTYNR-ABKXIKBNSA-N 1 2 241.360 1.084 20 0 BDADLO CCOC(=O)C1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000565943272 325976255 /nfs/dbraw/zinc/97/62/55/325976255.db2.gz ATRRYSGXYDUADR-UHFFFAOYSA-N 1 2 237.303 1.944 20 0 BDADLO CC(C)(NC(=O)CC1CC1)c1[nH]cc[nH+]1 ZINC000566362541 326037592 /nfs/dbraw/zinc/03/75/92/326037592.db2.gz BHSKHUCKBWNYEX-UHFFFAOYSA-N 1 2 207.277 1.561 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C2CCC2)C1 ZINC000566453950 326049954 /nfs/dbraw/zinc/04/99/54/326049954.db2.gz NQPNYRHHBQZNSS-JTQLQIEISA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C2CCC2)C1 ZINC000566453950 326049956 /nfs/dbraw/zinc/04/99/56/326049956.db2.gz NQPNYRHHBQZNSS-JTQLQIEISA-N 1 2 247.342 1.847 20 0 BDADLO CC(C)C1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000677117598 487971476 /nfs/dbraw/zinc/97/14/76/487971476.db2.gz YAYPLBXWDLJAEA-NSHDSACASA-N 1 2 247.342 1.560 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CC[C@H](O)CC1 ZINC000566487045 326057474 /nfs/dbraw/zinc/05/74/74/326057474.db2.gz SGLCEALVXKWPKZ-XYPYZODXSA-N 1 2 221.304 1.809 20 0 BDADLO COCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000566687561 326074840 /nfs/dbraw/zinc/07/48/40/326074840.db2.gz NOXSYMSVNLSGPB-UHFFFAOYSA-N 1 2 247.298 1.361 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)c[nH]c1=O ZINC000566874313 326090913 /nfs/dbraw/zinc/09/09/13/326090913.db2.gz KQPWXCLNWMNHDS-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)cn1 ZINC000153951429 326122248 /nfs/dbraw/zinc/12/22/48/326122248.db2.gz DFXODMJLHAZTHE-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)cn1 ZINC000153951429 326122245 /nfs/dbraw/zinc/12/22/45/326122245.db2.gz DFXODMJLHAZTHE-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CCC)CCO ZINC000153975164 326123434 /nfs/dbraw/zinc/12/34/34/326123434.db2.gz AUIGJKGFZLTXJH-UHFFFAOYSA-N 1 2 240.351 1.201 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CCC)CCO ZINC000153975164 326123436 /nfs/dbraw/zinc/12/34/36/326123436.db2.gz AUIGJKGFZLTXJH-UHFFFAOYSA-N 1 2 240.351 1.201 20 0 BDADLO Cc1ccn2c(CN3CCOCC3)c[nH+]c2c1 ZINC000154493866 326146332 /nfs/dbraw/zinc/14/63/32/326146332.db2.gz PGQBUUDYGIDYNH-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO Cc1cccn2c(CN3CCOCC3)c[nH+]c12 ZINC000154529719 326148773 /nfs/dbraw/zinc/14/87/73/326148773.db2.gz DVVCKUIKSCIBGJ-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO Cc1cc(O)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000310377897 326191376 /nfs/dbraw/zinc/19/13/76/326191376.db2.gz IQNDDBYGEJSOBF-UHFFFAOYSA-N 1 2 231.255 1.536 20 0 BDADLO Cc1cc(NC(=O)C2=CCOCC2)c(C)c[nH+]1 ZINC000567513053 326208417 /nfs/dbraw/zinc/20/84/17/326208417.db2.gz VDFLWEPLOYVJFD-UHFFFAOYSA-N 1 2 232.283 1.406 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC1 ZINC000567624427 326231674 /nfs/dbraw/zinc/23/16/74/326231674.db2.gz OWILHNPTFLPKKW-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC1 ZINC000567624427 326231675 /nfs/dbraw/zinc/23/16/75/326231675.db2.gz OWILHNPTFLPKKW-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)on1 ZINC000156838141 326244060 /nfs/dbraw/zinc/24/40/60/326244060.db2.gz IQEVQWQFWORONU-UHFFFAOYSA-N 1 2 233.227 1.639 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H](C)O1 ZINC000157310351 326266965 /nfs/dbraw/zinc/26/69/65/326266965.db2.gz NRQVPUKNJFTFGC-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H](C)O1 ZINC000157310351 326266967 /nfs/dbraw/zinc/26/69/67/326266967.db2.gz NRQVPUKNJFTFGC-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000567956298 326288002 /nfs/dbraw/zinc/28/80/02/326288002.db2.gz LJVJAIWPVPTESV-SCZZXKLOSA-N 1 2 248.330 1.250 20 0 BDADLO C[C@H](CC(=O)NCC1CC1)n1cc[nH+]c1 ZINC000568095741 326307355 /nfs/dbraw/zinc/30/73/55/326307355.db2.gz JICYYAYSPOAJKB-SECBINFHSA-N 1 2 207.277 1.360 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568192829 326324086 /nfs/dbraw/zinc/32/40/86/326324086.db2.gz WBHZKAQYRJFRMT-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568192829 326324088 /nfs/dbraw/zinc/32/40/88/326324088.db2.gz WBHZKAQYRJFRMT-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO CCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568228506 326329866 /nfs/dbraw/zinc/32/98/66/326329866.db2.gz BMBUZCCONSQCQS-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568228506 326329867 /nfs/dbraw/zinc/32/98/67/326329867.db2.gz BMBUZCCONSQCQS-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CC[C@H](C)O1 ZINC000568249245 326334726 /nfs/dbraw/zinc/33/47/26/326334726.db2.gz LNXHHDBPWYYKPI-ONGXEEELSA-N 1 2 221.304 1.495 20 0 BDADLO CC(C)n1nccc1C[NH2+]Cc1ncccn1 ZINC000568274442 326339603 /nfs/dbraw/zinc/33/96/03/326339603.db2.gz AZHCLNLQRHLXDE-UHFFFAOYSA-N 1 2 231.303 1.544 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000158966399 326347058 /nfs/dbraw/zinc/34/70/58/326347058.db2.gz XCMJDHVYEMDDSQ-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000158966537 326347186 /nfs/dbraw/zinc/34/71/86/326347186.db2.gz XCMJDHVYEMDDSQ-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1ncc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cn1 ZINC000568400813 326354417 /nfs/dbraw/zinc/35/44/17/326354417.db2.gz QGDXVQJOKBSHSC-SECBINFHSA-N 1 2 245.286 1.571 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)c1cn[nH]c1)C1CC1 ZINC000568494862 326359861 /nfs/dbraw/zinc/35/98/61/326359861.db2.gz IDRQUOGZACQPNJ-SNVBAGLBSA-N 1 2 245.286 1.024 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000568606875 326366783 /nfs/dbraw/zinc/36/67/83/326366783.db2.gz QTKMERSENVBKLS-GMTAPVOTSA-N 1 2 235.331 1.466 20 0 BDADLO C[C@@]12C[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000568720847 326373325 /nfs/dbraw/zinc/37/33/25/326373325.db2.gz DZCICXZYCORFJN-COMAGPEQSA-N 1 2 246.314 1.154 20 0 BDADLO C[C@@]12C[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000568720847 326373327 /nfs/dbraw/zinc/37/33/27/326373327.db2.gz DZCICXZYCORFJN-COMAGPEQSA-N 1 2 246.314 1.154 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(=O)OC ZINC000568716427 326373387 /nfs/dbraw/zinc/37/33/87/326373387.db2.gz ZDDMLMMGZBOIQN-DCAQKATOSA-N 1 2 243.347 1.589 20 0 BDADLO CC[C@H](C)[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568782241 326377494 /nfs/dbraw/zinc/37/74/94/326377494.db2.gz KFSKRLCOTOGXLV-GXFFZTMASA-N 1 2 237.347 1.724 20 0 BDADLO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000568874378 326380716 /nfs/dbraw/zinc/38/07/16/326380716.db2.gz OOUIBGIJZFUGNE-ADEWGFFLSA-N 1 2 243.314 1.677 20 0 BDADLO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000568874381 326380744 /nfs/dbraw/zinc/38/07/44/326380744.db2.gz OOUIBGIJZFUGNE-YUSALJHKSA-N 1 2 243.314 1.677 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC([C@@H](C)O)CC1 ZINC000568938508 326382904 /nfs/dbraw/zinc/38/29/04/326382904.db2.gz CZDXDEFGMQENDR-SNVBAGLBSA-N 1 2 235.331 1.691 20 0 BDADLO C[C@H](CC(=O)N1CCCOC1)n1cc[nH+]c1 ZINC000569228675 326396351 /nfs/dbraw/zinc/39/63/51/326396351.db2.gz FOUQBXAKWGQPRA-SNVBAGLBSA-N 1 2 223.276 1.041 20 0 BDADLO CNC(=O)c1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000572860611 326415757 /nfs/dbraw/zinc/41/57/57/326415757.db2.gz OJOIOOQNTDBPSV-UHFFFAOYSA-N 1 2 242.269 1.791 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)C[C@H](C)O ZINC000164921349 326418505 /nfs/dbraw/zinc/41/85/05/326418505.db2.gz RQZLRBTVVBETBS-IUCAKERBSA-N 1 2 210.277 1.662 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682509322 487973045 /nfs/dbraw/zinc/97/30/45/487973045.db2.gz PXYCZEIICWFKTH-JTQLQIEISA-N 1 2 233.315 1.362 20 0 BDADLO CCN1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1=O ZINC000669973206 487973483 /nfs/dbraw/zinc/97/34/83/487973483.db2.gz UKFJEGAOGHFZPP-JTQLQIEISA-N 1 2 246.314 1.387 20 0 BDADLO C[C@@H](NC(=O)N(C)C1CCC1)c1[nH+]ccn1C ZINC000667254426 487975027 /nfs/dbraw/zinc/97/50/27/487975027.db2.gz RAHVLSAORYQOQM-SECBINFHSA-N 1 2 236.319 1.675 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC000682533164 487979967 /nfs/dbraw/zinc/97/99/67/487979967.db2.gz WDTGZIZRMRWJEM-ZJUUUORDSA-N 1 2 246.318 1.325 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCCCC1 ZINC000220516423 487988513 /nfs/dbraw/zinc/98/85/13/487988513.db2.gz RFEDIGCFLBWZDS-NSHDSACASA-N 1 2 247.342 1.917 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCCCC1 ZINC000220516423 487988516 /nfs/dbraw/zinc/98/85/16/487988516.db2.gz RFEDIGCFLBWZDS-NSHDSACASA-N 1 2 247.342 1.917 20 0 BDADLO CCCCN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220514620 487988659 /nfs/dbraw/zinc/98/86/59/487988659.db2.gz DUTKRZMOXBJFLD-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO CCCCN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220514620 487988665 /nfs/dbraw/zinc/98/86/65/487988665.db2.gz DUTKRZMOXBJFLD-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666038622 487993105 /nfs/dbraw/zinc/99/31/05/487993105.db2.gz VSFYFKSDAWWSMF-NXEZZACHSA-N 1 2 221.304 1.390 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668603640 487996039 /nfs/dbraw/zinc/99/60/39/487996039.db2.gz IEBGXQZSLPFKFZ-BBBLOLIVSA-N 1 2 219.288 1.462 20 0 BDADLO C1=CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665710656 487996770 /nfs/dbraw/zinc/99/67/70/487996770.db2.gz ACXHJECXBZLRSU-UHFFFAOYSA-N 1 2 218.260 1.047 20 0 BDADLO C1=CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665710656 487996777 /nfs/dbraw/zinc/99/67/77/487996777.db2.gz ACXHJECXBZLRSU-UHFFFAOYSA-N 1 2 218.260 1.047 20 0 BDADLO c1nc(N2CCO[C@H]3C[C@H]32)cc(NC2CC2)[nH+]1 ZINC000665720497 487999404 /nfs/dbraw/zinc/99/94/04/487999404.db2.gz MMGSGKLSLCRFSD-ZJUUUORDSA-N 1 2 232.287 1.028 20 0 BDADLO c1nc(NC2CC2)cc(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000665720497 487999410 /nfs/dbraw/zinc/99/94/10/487999410.db2.gz MMGSGKLSLCRFSD-ZJUUUORDSA-N 1 2 232.287 1.028 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](CO)CC2CC2)[nH+]1 ZINC000677235460 488001126 /nfs/dbraw/zinc/00/11/26/488001126.db2.gz BNWGOLJLBSEWSN-JTQLQIEISA-N 1 2 246.314 1.839 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000682673666 488008660 /nfs/dbraw/zinc/00/86/60/488008660.db2.gz UOXPPTSQKLXXBU-SNVBAGLBSA-N 1 2 238.335 1.098 20 0 BDADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cn1 ZINC000644838302 488016561 /nfs/dbraw/zinc/01/65/61/488016561.db2.gz RUOXJEYIECZJCT-OLZOCXBDSA-N 1 2 247.342 1.511 20 0 BDADLO CCN(C)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cn1 ZINC000644838302 488016567 /nfs/dbraw/zinc/01/65/67/488016567.db2.gz RUOXJEYIECZJCT-OLZOCXBDSA-N 1 2 247.342 1.511 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000667493976 488027387 /nfs/dbraw/zinc/02/73/87/488027387.db2.gz JPRQFBBWOIOFOX-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@@H](CC)C1 ZINC000667493976 488027391 /nfs/dbraw/zinc/02/73/91/488027391.db2.gz JPRQFBBWOIOFOX-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C)ncn2)nc1 ZINC000677424920 488033778 /nfs/dbraw/zinc/03/37/78/488033778.db2.gz DBKMYKXQMNHMGT-UHFFFAOYSA-N 1 2 228.299 1.778 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000668634798 488033966 /nfs/dbraw/zinc/03/39/66/488033966.db2.gz CNXUNPZPUGESIR-ZYHUDNBSSA-N 1 2 234.299 1.566 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnn2c1CCC2 ZINC000667517721 488037039 /nfs/dbraw/zinc/03/70/39/488037039.db2.gz CQZDYMYGYPHSNX-MNOVXSKESA-N 1 2 235.331 1.439 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnn2c1CCC2 ZINC000667517721 488037041 /nfs/dbraw/zinc/03/70/41/488037041.db2.gz CQZDYMYGYPHSNX-MNOVXSKESA-N 1 2 235.331 1.439 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000667556651 488044918 /nfs/dbraw/zinc/04/49/18/488044918.db2.gz BXTKJELEOAKKPB-WCQYABFASA-N 1 2 249.358 1.829 20 0 BDADLO CCOc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000084357038 488046196 /nfs/dbraw/zinc/04/61/96/488046196.db2.gz VILZGRMQSXODBI-UHFFFAOYSA-N 1 2 221.300 1.652 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000652657235 488048201 /nfs/dbraw/zinc/04/82/01/488048201.db2.gz UYEUGKZLXHQWQS-ZYUZMQFOSA-N 1 2 234.303 1.597 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000652657229 488048275 /nfs/dbraw/zinc/04/82/75/488048275.db2.gz UYEUGKZLXHQWQS-KYXWUPHJSA-N 1 2 234.303 1.597 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668646133 488049601 /nfs/dbraw/zinc/04/96/01/488049601.db2.gz DFXSHAVVHJURSA-NXEZZACHSA-N 1 2 247.342 1.677 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668646133 488049603 /nfs/dbraw/zinc/04/96/03/488049603.db2.gz DFXSHAVVHJURSA-NXEZZACHSA-N 1 2 247.342 1.677 20 0 BDADLO CO[C@@]1(CO)CCC[N@H+](Cc2cscn2)C1 ZINC000401707358 488050177 /nfs/dbraw/zinc/05/01/77/488050177.db2.gz FNSRLPYQGZJIDJ-NSHDSACASA-N 1 2 242.344 1.116 20 0 BDADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cscn2)C1 ZINC000401707358 488050181 /nfs/dbraw/zinc/05/01/81/488050181.db2.gz FNSRLPYQGZJIDJ-NSHDSACASA-N 1 2 242.344 1.116 20 0 BDADLO c1nn2c(c1C[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000667644011 488068015 /nfs/dbraw/zinc/06/80/15/488068015.db2.gz XQCJURJBAGNXLL-TXEJJXNPSA-N 1 2 233.315 1.193 20 0 BDADLO c1nn2c(c1C[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000667644011 488068021 /nfs/dbraw/zinc/06/80/21/488068021.db2.gz XQCJURJBAGNXLL-TXEJJXNPSA-N 1 2 233.315 1.193 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)[nH]n1 ZINC000682941776 488068683 /nfs/dbraw/zinc/06/86/83/488068683.db2.gz FCWHJZGPPCUQGZ-UHFFFAOYSA-N 1 2 248.334 1.354 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682492584 488071392 /nfs/dbraw/zinc/07/13/92/488071392.db2.gz BCANVJBXQWWNMC-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)([NH3+])CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000236586902 488075177 /nfs/dbraw/zinc/07/51/77/488075177.db2.gz MTMFKTIQVVVZBB-UHFFFAOYSA-N 1 2 233.275 1.024 20 0 BDADLO COc1ccc(NC(=O)Cn2cc[nH+]c2)c(O)c1 ZINC000519605093 488083910 /nfs/dbraw/zinc/08/39/10/488083910.db2.gz IJOZXWCRPGTLDK-UHFFFAOYSA-N 1 2 247.254 1.236 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683004113 488085964 /nfs/dbraw/zinc/08/59/64/488085964.db2.gz WDQJLTZFAFCMHJ-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC[C@@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)C[C@@H]1O ZINC000677651065 488088996 /nfs/dbraw/zinc/08/89/96/488088996.db2.gz WBGSMIVRYYQXEK-KOLCDFICSA-N 1 2 246.314 1.473 20 0 BDADLO CCc1ccc(CN2CCn3c[nH+]cc3C2)nc1 ZINC000660585017 488093650 /nfs/dbraw/zinc/09/36/50/488093650.db2.gz XAHXRNZHMFMMEU-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cn1 ZINC000348183341 488095231 /nfs/dbraw/zinc/09/52/31/488095231.db2.gz BASXHPKABQCKPR-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cn1 ZINC000348183341 488095235 /nfs/dbraw/zinc/09/52/35/488095235.db2.gz BASXHPKABQCKPR-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CCOC3)CC2)no1 ZINC000677720674 488101251 /nfs/dbraw/zinc/10/12/51/488101251.db2.gz KNNHSMCHNRPJHC-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO c1nn[nH]c1C[NH+]1CCc2ccccc2CC1 ZINC000516713844 488104900 /nfs/dbraw/zinc/10/49/00/488104900.db2.gz PBNFTHTYLCGIHU-UHFFFAOYSA-N 1 2 228.299 1.406 20 0 BDADLO O[C@@H]1C[N@H+](CC2CCOCC2)CC(F)(F)C1 ZINC000682543127 488107590 /nfs/dbraw/zinc/10/75/90/488107590.db2.gz GDPIGHMGMLSPPN-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](CC2CCOCC2)CC(F)(F)C1 ZINC000682543127 488107595 /nfs/dbraw/zinc/10/75/95/488107595.db2.gz GDPIGHMGMLSPPN-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+]([C@H](C)c1ccncc1)C2 ZINC000674250726 487537283 /nfs/dbraw/zinc/53/72/83/487537283.db2.gz BPTVFBLRWVVBAH-SNVBAGLBSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1nc2n(n1)CC[N@H+]([C@H](C)c1ccncc1)C2 ZINC000674250726 487537288 /nfs/dbraw/zinc/53/72/88/487537288.db2.gz BPTVFBLRWVVBAH-SNVBAGLBSA-N 1 2 243.314 1.558 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667763795 488110996 /nfs/dbraw/zinc/11/09/96/488110996.db2.gz JHTCTGDUAPSNNC-HBNTYKKESA-N 1 2 235.331 1.781 20 0 BDADLO O=C(C[NH+]1CC2(C1)CC(F)(F)C2)NCC1CC1 ZINC000677735804 488114190 /nfs/dbraw/zinc/11/41/90/488114190.db2.gz HGBZNHJFZHONSU-UHFFFAOYSA-N 1 2 244.285 1.244 20 0 BDADLO CC(C)N(CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000526981233 488116383 /nfs/dbraw/zinc/11/63/83/488116383.db2.gz ANSPQPVSMKDICT-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)N(CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000526981233 488116387 /nfs/dbraw/zinc/11/63/87/488116387.db2.gz ANSPQPVSMKDICT-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000670112178 488124782 /nfs/dbraw/zinc/12/47/82/488124782.db2.gz FYMDZQDRXQRLKZ-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000670112178 488124790 /nfs/dbraw/zinc/12/47/90/488124790.db2.gz FYMDZQDRXQRLKZ-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000168784709 487540739 /nfs/dbraw/zinc/54/07/39/487540739.db2.gz QULQZDFEUOAWRH-BTKRWWFXSA-N 1 2 233.311 1.393 20 0 BDADLO OC[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000168784709 487540742 /nfs/dbraw/zinc/54/07/42/487540742.db2.gz QULQZDFEUOAWRH-BTKRWWFXSA-N 1 2 233.311 1.393 20 0 BDADLO CCc1nnc(C[N@H+](C)CC(C)(C)OC)s1 ZINC000680060122 487530108 /nfs/dbraw/zinc/53/01/08/487530108.db2.gz DIMQVRWVLFKDMH-UHFFFAOYSA-N 1 2 243.376 1.957 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC(C)(C)OC)s1 ZINC000680060122 487530111 /nfs/dbraw/zinc/53/01/11/487530111.db2.gz DIMQVRWVLFKDMH-UHFFFAOYSA-N 1 2 243.376 1.957 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3nn[nH]c3C2)ccc1F ZINC000668790932 487543978 /nfs/dbraw/zinc/54/39/78/487543978.db2.gz GRUHXVMFGMGOCP-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1cc(C[N@H+]2CCc3nn[nH]c3C2)ccc1F ZINC000668790932 487543982 /nfs/dbraw/zinc/54/39/82/487543982.db2.gz GRUHXVMFGMGOCP-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCc2n[nH]nc2C1 ZINC000668791338 487544073 /nfs/dbraw/zinc/54/40/73/487544073.db2.gz IJNPAHVXQBHIAO-VIFPVBQESA-N 1 2 248.355 1.856 20 0 BDADLO C[C@@H](Cc1ccsc1)[N@H+]1CCc2n[nH]nc2C1 ZINC000668791338 487544080 /nfs/dbraw/zinc/54/40/80/487544080.db2.gz IJNPAHVXQBHIAO-VIFPVBQESA-N 1 2 248.355 1.856 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccnc1C1CC1 ZINC000680200476 487545851 /nfs/dbraw/zinc/54/58/51/487545851.db2.gz GKXCLKYIVLDFFL-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccnc1C1CC1 ZINC000680200476 487545861 /nfs/dbraw/zinc/54/58/61/487545861.db2.gz GKXCLKYIVLDFFL-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO CC[N@H+](CCO)CC(=O)c1ccccc1F ZINC000049136405 487546582 /nfs/dbraw/zinc/54/65/82/487546582.db2.gz RUYLWWFUDWQTAR-UHFFFAOYSA-N 1 2 225.263 1.323 20 0 BDADLO CC[N@@H+](CCO)CC(=O)c1ccccc1F ZINC000049136405 487546590 /nfs/dbraw/zinc/54/65/90/487546590.db2.gz RUYLWWFUDWQTAR-UHFFFAOYSA-N 1 2 225.263 1.323 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@@H](O)C2CC2)no1 ZINC000685566341 487548248 /nfs/dbraw/zinc/54/82/48/487548248.db2.gz ITEUJEDGGXOLFM-OIBJUYFYSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@@H](O)C2CC2)no1 ZINC000685566341 487548256 /nfs/dbraw/zinc/54/82/56/487548256.db2.gz ITEUJEDGGXOLFM-OIBJUYFYSA-N 1 2 225.292 1.142 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC1(F)F ZINC000673380500 487549971 /nfs/dbraw/zinc/54/99/71/487549971.db2.gz PIUPJDGDQFFEBR-MRVPVSSYSA-N 1 2 243.257 1.646 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766732 487551858 /nfs/dbraw/zinc/55/18/58/487551858.db2.gz ADKYAGWFEJSBIB-ONGXEEELSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766732 487551867 /nfs/dbraw/zinc/55/18/67/487551867.db2.gz ADKYAGWFEJSBIB-ONGXEEELSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766732 487551874 /nfs/dbraw/zinc/55/18/74/487551874.db2.gz ADKYAGWFEJSBIB-ONGXEEELSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766732 487551878 /nfs/dbraw/zinc/55/18/78/487551878.db2.gz ADKYAGWFEJSBIB-ONGXEEELSA-N 1 2 221.304 1.335 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccn(C)n2)c1 ZINC000680257785 487553380 /nfs/dbraw/zinc/55/33/80/487553380.db2.gz LLHYCXRTHKBOKU-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cccc(C)c1F ZINC000668787628 487532734 /nfs/dbraw/zinc/53/27/34/487532734.db2.gz FPWNGJMWLOUSHA-UHFFFAOYSA-N 1 2 224.279 1.312 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cccc(C)c1F ZINC000668787628 487532737 /nfs/dbraw/zinc/53/27/37/487532737.db2.gz FPWNGJMWLOUSHA-UHFFFAOYSA-N 1 2 224.279 1.312 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1=CCCC1)CC2 ZINC000679909070 487483628 /nfs/dbraw/zinc/48/36/28/487483628.db2.gz UNHKVFMFKYCBIW-UHFFFAOYSA-N 1 2 231.299 1.644 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ncc(C)cn1)CC2 ZINC000679868061 487477404 /nfs/dbraw/zinc/47/74/04/487477404.db2.gz JMJBIYLXRFYTRE-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[C@](O)(C[N@@H+]1CCc2c[nH]nc2C1)C(F)(F)F ZINC000685004052 487491779 /nfs/dbraw/zinc/49/17/79/487491779.db2.gz YPUDWUUOLKGUOG-VIFPVBQESA-N 1 2 249.236 1.081 20 0 BDADLO C[C@](O)(C[N@H+]1CCc2c[nH]nc2C1)C(F)(F)F ZINC000685004052 487491780 /nfs/dbraw/zinc/49/17/80/487491780.db2.gz YPUDWUUOLKGUOG-VIFPVBQESA-N 1 2 249.236 1.081 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000673968258 487492222 /nfs/dbraw/zinc/49/22/22/487492222.db2.gz ZFLVOIUIUGHJLY-JTQLQIEISA-N 1 2 237.303 1.348 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000673968258 487492226 /nfs/dbraw/zinc/49/22/26/487492226.db2.gz ZFLVOIUIUGHJLY-JTQLQIEISA-N 1 2 237.303 1.348 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CCC(C)(C)C ZINC000399723788 487497145 /nfs/dbraw/zinc/49/71/45/487497145.db2.gz GHTMRFAFCDFDGU-UHFFFAOYSA-N 1 2 238.335 1.940 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CCC(C)(C)C ZINC000399723788 487497154 /nfs/dbraw/zinc/49/71/54/487497154.db2.gz GHTMRFAFCDFDGU-UHFFFAOYSA-N 1 2 238.335 1.940 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674014125 487501474 /nfs/dbraw/zinc/50/14/74/487501474.db2.gz YLSHZHNQCYLVMN-GZMMTYOYSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674014125 487501475 /nfs/dbraw/zinc/50/14/75/487501475.db2.gz YLSHZHNQCYLVMN-GZMMTYOYSA-N 1 2 222.263 1.446 20 0 BDADLO CC(C)(C)c1nc(NCCOCCO)cc[nH+]1 ZINC000674061578 487506506 /nfs/dbraw/zinc/50/65/06/487506506.db2.gz APMSCEXFGQEBAE-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO Cc1cc(C[N@H+](C)CC2=CCSC2)nn1C ZINC000662266587 487503802 /nfs/dbraw/zinc/50/38/02/487503802.db2.gz JCDPLANEDXFKPT-UHFFFAOYSA-N 1 2 237.372 1.834 20 0 BDADLO Cc1cc(C[N@@H+](C)CC2=CCSC2)nn1C ZINC000662266587 487503810 /nfs/dbraw/zinc/50/38/10/487503810.db2.gz JCDPLANEDXFKPT-UHFFFAOYSA-N 1 2 237.372 1.834 20 0 BDADLO CNC(=O)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000674064606 487507348 /nfs/dbraw/zinc/50/73/48/487507348.db2.gz QLBOIGJVBAWOMV-UHFFFAOYSA-N 1 2 236.319 1.322 20 0 BDADLO COCCC1(C)C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668233760 487508253 /nfs/dbraw/zinc/50/82/53/487508253.db2.gz LLFGEFWFAJOTRT-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO CCc1cc(NC[C@@]2(C)CCC(=O)N2)nc[nH+]1 ZINC000665724264 487510417 /nfs/dbraw/zinc/51/04/17/487510417.db2.gz OWZLDUUXPHXJHV-GFCCVEGCSA-N 1 2 234.303 1.120 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)no1 ZINC000681712288 487514280 /nfs/dbraw/zinc/51/42/80/487514280.db2.gz SVJOVAZHLLFZGM-ZJUUUORDSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H]3CCC[C@@H]32)no1 ZINC000681712288 487514286 /nfs/dbraw/zinc/51/42/86/487514286.db2.gz SVJOVAZHLLFZGM-ZJUUUORDSA-N 1 2 237.303 1.590 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000685426534 487516234 /nfs/dbraw/zinc/51/62/34/487516234.db2.gz XZNYMDWNGYBFMO-ONGXEEELSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000685426534 487516238 /nfs/dbraw/zinc/51/62/38/487516238.db2.gz XZNYMDWNGYBFMO-ONGXEEELSA-N 1 2 225.311 1.908 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CCC2 ZINC000675296698 487517109 /nfs/dbraw/zinc/51/71/09/487517109.db2.gz PYBBRJYLJZNIIJ-GHMZBOCLSA-N 1 2 233.315 1.578 20 0 BDADLO CCn1nncc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000669571588 487521713 /nfs/dbraw/zinc/52/17/13/487521713.db2.gz IWYMZVWPLWLCOF-UHFFFAOYSA-N 1 2 248.252 1.682 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)c1ccncc1 ZINC000674122973 487522595 /nfs/dbraw/zinc/52/25/95/487522595.db2.gz NRUNZUHMZHDJRI-LLVKDONJSA-N 1 2 244.298 1.198 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](CO)C2)s1 ZINC000680045631 487524092 /nfs/dbraw/zinc/52/40/92/487524092.db2.gz LOEUHBBECOGGCE-VIFPVBQESA-N 1 2 241.360 1.305 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](CO)C2)s1 ZINC000680045631 487524094 /nfs/dbraw/zinc/52/40/94/487524094.db2.gz LOEUHBBECOGGCE-VIFPVBQESA-N 1 2 241.360 1.305 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)s1 ZINC000671705025 487699140 /nfs/dbraw/zinc/69/91/40/487699140.db2.gz DETYEZGFHAUHEO-DTORHVGOSA-N 1 2 241.360 1.710 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)s1 ZINC000671705025 487699148 /nfs/dbraw/zinc/69/91/48/487699148.db2.gz DETYEZGFHAUHEO-DTORHVGOSA-N 1 2 241.360 1.710 20 0 BDADLO CCOc1cc(NCCn2cc[nH+]c2)nc(C)n1 ZINC000090792057 488002587 /nfs/dbraw/zinc/00/25/87/488002587.db2.gz WOXPNARUMNVRLY-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cnco1 ZINC000677572203 488077845 /nfs/dbraw/zinc/07/78/45/488077845.db2.gz VJHMCULEUVEQJY-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO c1cn([C@@H]2CCCN(Cc3ncccn3)C2)c[nH+]1 ZINC000683006912 488088366 /nfs/dbraw/zinc/08/83/66/488088366.db2.gz LXHDVZZIXNISHU-GFCCVEGCSA-N 1 2 243.314 1.510 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cocn2)C1 ZINC000683203612 488129510 /nfs/dbraw/zinc/12/95/10/488129510.db2.gz IYUNHZHGTMEFGO-AWEZNQCLSA-N 1 2 243.310 1.951 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cocn2)C1 ZINC000683203612 488129515 /nfs/dbraw/zinc/12/95/15/488129515.db2.gz IYUNHZHGTMEFGO-AWEZNQCLSA-N 1 2 243.310 1.951 20 0 BDADLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cocn2)C1 ZINC000683203612 488129518 /nfs/dbraw/zinc/12/95/18/488129518.db2.gz IYUNHZHGTMEFGO-AWEZNQCLSA-N 1 2 243.310 1.951 20 0 BDADLO Cc1c(Cl)c(C[NH2+]C2([C@H](C)O)CC2)nn1C ZINC000668701644 488137814 /nfs/dbraw/zinc/13/78/14/488137814.db2.gz RCNCHOFQFGCTRH-QMMMGPOBSA-N 1 2 243.738 1.385 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1csnn1 ZINC000379572923 488142531 /nfs/dbraw/zinc/14/25/31/488142531.db2.gz IKRLKPALFQJFOV-MRVPVSSYSA-N 1 2 215.322 1.131 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1csnn1 ZINC000379572923 488142534 /nfs/dbraw/zinc/14/25/34/488142534.db2.gz IKRLKPALFQJFOV-MRVPVSSYSA-N 1 2 215.322 1.131 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1nc(C)no1 ZINC000677888746 488148217 /nfs/dbraw/zinc/14/82/17/488148217.db2.gz NQAYSJIMPTUWON-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1nc(C)no1 ZINC000677888746 488148220 /nfs/dbraw/zinc/14/82/20/488148220.db2.gz NQAYSJIMPTUWON-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO COc1ccc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000677899183 488151998 /nfs/dbraw/zinc/15/19/98/488151998.db2.gz XJHBSARXAQSZON-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cocn1)CC2 ZINC000683355366 488152526 /nfs/dbraw/zinc/15/25/26/488152526.db2.gz UCBCVIMEDHVXMS-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000404420151 488157083 /nfs/dbraw/zinc/15/70/83/488157083.db2.gz CBENCKMWVXXFGF-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(Cl)o2)nn1 ZINC000404435636 488159575 /nfs/dbraw/zinc/15/95/75/488159575.db2.gz RCEOCFAANYJFGT-UHFFFAOYSA-N 1 2 240.694 1.834 20 0 BDADLO C[C@@H](O)[C@H](C)n1cc[nH+]c1-c1ccncc1 ZINC000531039160 488160693 /nfs/dbraw/zinc/16/06/93/488160693.db2.gz NJBQCCFNJVQXCO-VHSXEESVSA-N 1 2 217.272 1.887 20 0 BDADLO O=C1NCC[C@@H]1CC[N@H+]1CCCC(F)(F)C1 ZINC000653778168 488178547 /nfs/dbraw/zinc/17/85/47/488178547.db2.gz IGSGWESZKAQEGT-SECBINFHSA-N 1 2 232.274 1.244 20 0 BDADLO O=C1NCC[C@@H]1CC[N@@H+]1CCCC(F)(F)C1 ZINC000653778168 488178550 /nfs/dbraw/zinc/17/85/50/488178550.db2.gz IGSGWESZKAQEGT-SECBINFHSA-N 1 2 232.274 1.244 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC23CC3)c[nH+]1 ZINC000668016333 488187324 /nfs/dbraw/zinc/18/73/24/488187324.db2.gz RHZQDEHYSZGVAJ-MRVPVSSYSA-N 1 2 205.261 1.248 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)cs1 ZINC000671785873 488195296 /nfs/dbraw/zinc/19/52/96/488195296.db2.gz VFSBCVFKLJAIRG-UHFFFAOYSA-N 1 2 234.280 1.831 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](CO)CC2CC2)cc[nH+]1 ZINC000678094663 488196870 /nfs/dbraw/zinc/19/68/70/488196870.db2.gz GTIOLPCLQDPBRN-GFCCVEGCSA-N 1 2 249.314 1.094 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCc1cocn1 ZINC000678095854 488197399 /nfs/dbraw/zinc/19/73/99/488197399.db2.gz KUQKQXDEKONGEQ-UHFFFAOYSA-N 1 2 232.243 1.122 20 0 BDADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1nccs1 ZINC000683566272 488197632 /nfs/dbraw/zinc/19/76/32/488197632.db2.gz REUVBFCMFVEZTF-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1nccs1 ZINC000683566272 488197634 /nfs/dbraw/zinc/19/76/34/488197634.db2.gz REUVBFCMFVEZTF-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C(C)(C)O ZINC000678096356 488197697 /nfs/dbraw/zinc/19/76/97/488197697.db2.gz ZNDFHJPQPGAHDB-VIFPVBQESA-N 1 2 237.303 1.093 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2nccs2)c1 ZINC000683570226 488198786 /nfs/dbraw/zinc/19/87/86/488198786.db2.gz QRFXEASOTRQTAE-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1nccs1 ZINC000683571250 488199217 /nfs/dbraw/zinc/19/92/17/488199217.db2.gz PLASKJNQKKZJSK-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668086912 488200580 /nfs/dbraw/zinc/20/05/80/488200580.db2.gz VVNDAWNIHZKLPR-WDEREUQCSA-N 1 2 247.342 1.916 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668086912 488200583 /nfs/dbraw/zinc/20/05/83/488200583.db2.gz VVNDAWNIHZKLPR-WDEREUQCSA-N 1 2 247.342 1.916 20 0 BDADLO c1c(CN2CCO[C@H]3C[C@H]32)[nH+]c2ccccn12 ZINC000368331853 488200617 /nfs/dbraw/zinc/20/06/17/488200617.db2.gz ONUMUEBCTGUACB-NEPJUHHUSA-N 1 2 229.283 1.307 20 0 BDADLO O=C(CCCF)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668192024 488218893 /nfs/dbraw/zinc/21/88/93/488218893.db2.gz RURFVOXXZNNFEM-NSHDSACASA-N 1 2 239.294 1.796 20 0 BDADLO CN(C)c1ccc(C[N@H+](C)Cc2ccon2)cn1 ZINC000678275337 488234853 /nfs/dbraw/zinc/23/48/53/488234853.db2.gz RIMGYBDHCIQAOW-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1ccc(C[N@@H+](C)Cc2ccon2)cn1 ZINC000678275337 488234856 /nfs/dbraw/zinc/23/48/56/488234856.db2.gz RIMGYBDHCIQAOW-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000683888516 488237160 /nfs/dbraw/zinc/23/71/60/488237160.db2.gz VKDPCKILDJQZLE-PJXYFTJBSA-N 1 2 233.315 1.578 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccccn1 ZINC000683894977 488238375 /nfs/dbraw/zinc/23/83/75/488238375.db2.gz VWLQEXDPZIKXHE-UHFFFAOYSA-N 1 2 231.259 1.469 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cccnc1 ZINC000683894714 488238397 /nfs/dbraw/zinc/23/83/97/488238397.db2.gz DZRVSBZLKFNJGP-UHFFFAOYSA-N 1 2 231.259 1.469 20 0 BDADLO CC(C)(C(=O)N1CCC[C@@H]2C[C@@H]21)c1c[nH+]c[nH]1 ZINC000672130817 488239066 /nfs/dbraw/zinc/23/90/66/488239066.db2.gz WFXHEIHMYRMUAQ-ZJUUUORDSA-N 1 2 233.315 1.698 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cn(C)cn1 ZINC000683898270 488240138 /nfs/dbraw/zinc/24/01/38/488240138.db2.gz LGLGKWUBWMXRBQ-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(C)cn1 ZINC000683898270 488240140 /nfs/dbraw/zinc/24/01/40/488240140.db2.gz LGLGKWUBWMXRBQ-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1cn(C)c[nH+]1 ZINC000683898270 488240142 /nfs/dbraw/zinc/24/01/42/488240142.db2.gz LGLGKWUBWMXRBQ-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1F ZINC000683995817 488254093 /nfs/dbraw/zinc/25/40/93/488254093.db2.gz KZENGCJKVOUNOC-VWYCJHECSA-N 1 2 249.351 1.101 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1F ZINC000683995817 488254095 /nfs/dbraw/zinc/25/40/95/488254095.db2.gz KZENGCJKVOUNOC-VWYCJHECSA-N 1 2 249.351 1.101 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@@H](C)c2nncn2C)c1 ZINC000672554726 488258380 /nfs/dbraw/zinc/25/83/80/488258380.db2.gz DCFLXIRWNNVUOC-NSHDSACASA-N 1 2 247.346 1.830 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@@H](C)c2nncn2C)c1 ZINC000672554726 488258384 /nfs/dbraw/zinc/25/83/84/488258384.db2.gz DCFLXIRWNNVUOC-NSHDSACASA-N 1 2 247.346 1.830 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1F ZINC000673057374 488272674 /nfs/dbraw/zinc/27/26/74/488272674.db2.gz QQKPQTRMYBTCFN-GXSJLCMTSA-N 1 2 239.294 1.169 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[C@@H]1C)CC2 ZINC000673179952 488277883 /nfs/dbraw/zinc/27/78/83/488277883.db2.gz JGNKHDXUDAJNHD-ONGXEEELSA-N 1 2 248.330 1.515 20 0 BDADLO NC(=O)CC1CCN(c2cc[nH+]cc2F)CC1 ZINC000678788319 488282149 /nfs/dbraw/zinc/28/21/49/488282149.db2.gz IVKLTBQFPQXYAN-UHFFFAOYSA-N 1 2 237.278 1.313 20 0 BDADLO CN(C[C@@H]1CCOC1)c1cc[nH+]cc1F ZINC000678787799 488283185 /nfs/dbraw/zinc/28/31/85/488283185.db2.gz ZHAJVPMNXJNYCE-VIFPVBQESA-N 1 2 210.252 1.693 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]cc1F ZINC000678788081 488283280 /nfs/dbraw/zinc/28/32/80/488283280.db2.gz DJMGNKRFQUTJIY-ZIAGYGMSSA-N 1 2 244.269 1.713 20 0 BDADLO CNC(=O)[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678787469 488283472 /nfs/dbraw/zinc/28/34/72/488283472.db2.gz PFVTYUXKCNWKJN-VIFPVBQESA-N 1 2 237.278 1.183 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000684333953 488294473 /nfs/dbraw/zinc/29/44/73/488294473.db2.gz KUVMGSCXUIDCTP-AXFHLTTASA-N 1 2 233.315 1.455 20 0 BDADLO FC1(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000684362224 488301252 /nfs/dbraw/zinc/30/12/52/488301252.db2.gz MYZVSAMTAZBYGY-GHMZBOCLSA-N 1 2 229.295 1.368 20 0 BDADLO FC1(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000684362224 488301255 /nfs/dbraw/zinc/30/12/55/488301255.db2.gz MYZVSAMTAZBYGY-GHMZBOCLSA-N 1 2 229.295 1.368 20 0 BDADLO CC(F)(F)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000673666625 488301549 /nfs/dbraw/zinc/30/15/49/488301549.db2.gz TVNRAIOWYDVRRR-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cocn2)c(C)n1 ZINC000679048771 488304947 /nfs/dbraw/zinc/30/49/47/488304947.db2.gz JIRBSSACFPIIRC-MRVPVSSYSA-N 1 2 232.287 1.932 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(F)F ZINC000684393491 488305226 /nfs/dbraw/zinc/30/52/26/488305226.db2.gz LMRDSFQQBVEZLH-MRVPVSSYSA-N 1 2 231.246 1.433 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2nccs2)cc1=O ZINC000673755425 488307357 /nfs/dbraw/zinc/30/73/57/488307357.db2.gz KUTRCUHLSLWGSK-UHFFFAOYSA-N 1 2 249.339 1.474 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2nccs2)cc1=O ZINC000673755425 488307360 /nfs/dbraw/zinc/30/73/60/488307360.db2.gz KUTRCUHLSLWGSK-UHFFFAOYSA-N 1 2 249.339 1.474 20 0 BDADLO COCc1noc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000679151428 488313667 /nfs/dbraw/zinc/31/36/67/488313667.db2.gz JWMGOZQPJRNXBV-SSDOTTSWSA-N 1 2 247.245 1.303 20 0 BDADLO COCc1noc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000679151428 488313669 /nfs/dbraw/zinc/31/36/69/488313669.db2.gz JWMGOZQPJRNXBV-SSDOTTSWSA-N 1 2 247.245 1.303 20 0 BDADLO CC1(F)C[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000684607525 488331372 /nfs/dbraw/zinc/33/13/72/488331372.db2.gz JEBMPESLVBFCMG-LLVKDONJSA-N 1 2 215.312 1.971 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc2c(c1)CCO2 ZINC000684620910 488334264 /nfs/dbraw/zinc/33/42/64/488334264.db2.gz NXMHMFFXICGLIO-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc2c(c1)CCO2 ZINC000684620910 488334265 /nfs/dbraw/zinc/33/42/65/488334265.db2.gz NXMHMFFXICGLIO-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc2c(c1)CCO2 ZINC000684620910 488334266 /nfs/dbraw/zinc/33/42/66/488334266.db2.gz NXMHMFFXICGLIO-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc2c(c1)CCO2 ZINC000684620910 488334267 /nfs/dbraw/zinc/33/42/67/488334267.db2.gz NXMHMFFXICGLIO-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccon2)C1 ZINC000684669584 488337977 /nfs/dbraw/zinc/33/79/77/488337977.db2.gz WEZNRQIOSOFCFB-SECBINFHSA-N 1 2 235.287 1.511 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000684669584 488337980 /nfs/dbraw/zinc/33/79/80/488337980.db2.gz WEZNRQIOSOFCFB-SECBINFHSA-N 1 2 235.287 1.511 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC=CCC1 ZINC000679324862 488338353 /nfs/dbraw/zinc/33/83/53/488338353.db2.gz JRECLLFLWADXDW-UHFFFAOYSA-N 1 2 241.294 1.665 20 0 BDADLO Cc1cc(NC(=O)N2CC=CCC2)c(C)c[nH+]1 ZINC000679345891 488342422 /nfs/dbraw/zinc/34/24/22/488342422.db2.gz ULPRBDKRDYLSRC-UHFFFAOYSA-N 1 2 231.299 1.914 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684854765 488349262 /nfs/dbraw/zinc/34/92/62/488349262.db2.gz ZABUUWGVRNLPGC-GHMZBOCLSA-N 1 2 245.282 1.698 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(O)cc1 ZINC000679392029 488349612 /nfs/dbraw/zinc/34/96/12/488349612.db2.gz DVZCJYHTMLOJSR-ZDUSSCGKSA-N 1 2 248.326 1.493 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(O)cc1 ZINC000679392029 488349613 /nfs/dbraw/zinc/34/96/13/488349613.db2.gz DVZCJYHTMLOJSR-ZDUSSCGKSA-N 1 2 248.326 1.493 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCc2cnn(C)c2)no1 ZINC000679822912 488366996 /nfs/dbraw/zinc/36/69/96/488366996.db2.gz FKDJISPQVYSMTF-UHFFFAOYSA-N 1 2 249.318 1.176 20 0 BDADLO Cc1nc(C[N@H+](C)CCCc2cnn(C)c2)no1 ZINC000679822912 488366998 /nfs/dbraw/zinc/36/69/98/488366998.db2.gz FKDJISPQVYSMTF-UHFFFAOYSA-N 1 2 249.318 1.176 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](C)CO)o1 ZINC000120993396 490072705 /nfs/dbraw/zinc/07/27/05/490072705.db2.gz KRDIOGYHTGBRPO-PWSUYJOCSA-N 1 2 239.315 1.590 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](C)CO)o1 ZINC000120993396 490072709 /nfs/dbraw/zinc/07/27/09/490072709.db2.gz KRDIOGYHTGBRPO-PWSUYJOCSA-N 1 2 239.315 1.590 20 0 BDADLO Cc1nc(NCc2cc(C(N)=O)co2)cc[nH+]1 ZINC000489948069 490101762 /nfs/dbraw/zinc/10/17/62/490101762.db2.gz UWBSJHPHIUBKRT-UHFFFAOYSA-N 1 2 232.243 1.089 20 0 BDADLO Cc1nnc(C[N@H+]2CC=CCC2)n1C1CC1 ZINC000679322444 490112915 /nfs/dbraw/zinc/11/29/15/490112915.db2.gz JPCNYGLFQNBVCA-UHFFFAOYSA-N 1 2 218.304 1.683 20 0 BDADLO Cc1nnc(C[N@@H+]2CC=CCC2)n1C1CC1 ZINC000679322444 490112919 /nfs/dbraw/zinc/11/29/19/490112919.db2.gz JPCNYGLFQNBVCA-UHFFFAOYSA-N 1 2 218.304 1.683 20 0 BDADLO CCN1CC[C@H]([NH2+][C@@H](C)c2cscn2)C1=O ZINC000309654007 490172035 /nfs/dbraw/zinc/17/20/35/490172035.db2.gz PBLXNFOKPVNOAV-IUCAKERBSA-N 1 2 239.344 1.415 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cnc[nH]1 ZINC000078679712 490217036 /nfs/dbraw/zinc/21/70/36/490217036.db2.gz JKTVTZBNFHTMMO-ZETCQYMHSA-N 1 2 220.276 1.865 20 0 BDADLO C[C@H]1C[C@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000558592969 490280055 /nfs/dbraw/zinc/28/00/55/490280055.db2.gz MHEYVHBHPPSIAI-IUCAKERBSA-N 1 2 228.299 1.532 20 0 BDADLO Cc1nc(C[NH2+]Cc2cn(C)nc2C)cs1 ZINC000125976042 490475720 /nfs/dbraw/zinc/47/57/20/490475720.db2.gz QPFAJTXOBMUJBY-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128394510 490523309 /nfs/dbraw/zinc/52/33/09/490523309.db2.gz HYWRFNKDCJNFMY-QWRGUYRKSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128394510 490523316 /nfs/dbraw/zinc/52/33/16/490523316.db2.gz HYWRFNKDCJNFMY-QWRGUYRKSA-N 1 2 241.360 1.664 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000127775943 490558705 /nfs/dbraw/zinc/55/87/05/490558705.db2.gz BYEPFBZGBARQPA-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000127775943 490558709 /nfs/dbraw/zinc/55/87/09/490558709.db2.gz BYEPFBZGBARQPA-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@@H](CCNc1cc[nH+]c(C)n1)OC ZINC000664165663 490586674 /nfs/dbraw/zinc/58/66/74/490586674.db2.gz LITJSMFBPIKYBK-SNVBAGLBSA-N 1 2 225.292 1.248 20 0 BDADLO O[C@@]12CCCC[C@@H]1C[N@H+](CC(F)F)CC2 ZINC000220386913 490598624 /nfs/dbraw/zinc/59/86/24/490598624.db2.gz LHMVQLZUPNBAFL-MWLCHTKSSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@]12CCCC[C@@H]1C[N@@H+](CC(F)F)CC2 ZINC000220386913 490598628 /nfs/dbraw/zinc/59/86/28/490598628.db2.gz LHMVQLZUPNBAFL-MWLCHTKSSA-N 1 2 219.275 1.879 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCCC1(F)F ZINC000308844040 491049006 /nfs/dbraw/zinc/04/90/06/491049006.db2.gz LHOUOGUXFLIZOU-YUMQZZPRSA-N 1 2 241.303 1.197 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826379 491053765 /nfs/dbraw/zinc/05/37/65/491053765.db2.gz FHCAQSWJFQOWMB-VHSXEESVSA-N 1 2 238.335 1.145 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826379 491053766 /nfs/dbraw/zinc/05/37/66/491053766.db2.gz FHCAQSWJFQOWMB-VHSXEESVSA-N 1 2 238.335 1.145 20 0 BDADLO C[C@@H](Cc1nc(-c2ccon2)no1)n1cc[nH+]c1 ZINC000351423863 491069264 /nfs/dbraw/zinc/06/92/64/491069264.db2.gz HPJGGHWISBXOQX-QMMMGPOBSA-N 1 2 245.242 1.725 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc2[nH]ccc21 ZINC000088752416 491108318 /nfs/dbraw/zinc/10/83/18/491108318.db2.gz DEUCXPFGOBGLBM-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc2[nH]ccc21 ZINC000088752416 491108319 /nfs/dbraw/zinc/10/83/19/491108319.db2.gz DEUCXPFGOBGLBM-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C)CC=CCC1 ZINC000334632143 491124129 /nfs/dbraw/zinc/12/41/29/491124129.db2.gz QSKPHPMJJNZACF-ZDUSSCGKSA-N 1 2 233.315 1.783 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)C[C@H](O)C1CC1 ZINC000079788436 491129484 /nfs/dbraw/zinc/12/94/84/491129484.db2.gz DMYFEQGAOJXVPN-JTQLQIEISA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)C[C@H](O)C1CC1 ZINC000079788436 491129485 /nfs/dbraw/zinc/12/94/85/491129485.db2.gz DMYFEQGAOJXVPN-JTQLQIEISA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ncc[nH]1 ZINC000138895869 491129546 /nfs/dbraw/zinc/12/95/46/491129546.db2.gz FZRODPAZSLBBQL-VIFPVBQESA-N 1 2 244.298 1.359 20 0 BDADLO Cc1ccsc1[C@@H](CO)[NH2+]CC(F)F ZINC000308743310 491137883 /nfs/dbraw/zinc/13/78/83/491137883.db2.gz PYZVNJOMUGVREI-SSDOTTSWSA-N 1 2 221.272 1.945 20 0 BDADLO c1nnc(NCc2c[nH+]c3ccccn23)o1 ZINC000309420256 491148941 /nfs/dbraw/zinc/14/89/41/491148941.db2.gz ZMMHFMDXJSFXPE-UHFFFAOYSA-N 1 2 215.216 1.329 20 0 BDADLO OC[C@@]1([NH2+]CC(F)F)CCc2ccccc21 ZINC000309479499 491149457 /nfs/dbraw/zinc/14/94/57/491149457.db2.gz DBVFPIQFTBNHME-LBPRGKRZSA-N 1 2 227.254 1.675 20 0 BDADLO OC[C@]1([NH2+]CC(F)F)CCc2ccccc21 ZINC000309479497 491149459 /nfs/dbraw/zinc/14/94/59/491149459.db2.gz DBVFPIQFTBNHME-GFCCVEGCSA-N 1 2 227.254 1.675 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ccccn2)nn1 ZINC000310114057 491160429 /nfs/dbraw/zinc/16/04/29/491160429.db2.gz BPTKQXWKXSYBOV-UHFFFAOYSA-N 1 2 231.303 1.544 20 0 BDADLO Cc1[nH]nc(O[C@H](C)C[NH+]2CCOCC2)c1C ZINC001226512848 974936379 /nfs/dbraw/zinc/93/63/79/974936379.db2.gz UPYLWDIRYIZBJP-SECBINFHSA-N 1 2 239.319 1.126 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000844466963 582593836 /nfs/dbraw/zinc/59/38/36/582593836.db2.gz AKYWBENEAJVXIS-VIFPVBQESA-N 1 2 228.246 1.046 20 0 BDADLO O=C(NC/C=C\Cl)[C@H]1CCc2[nH+]ccn2C1 ZINC000891200152 582626325 /nfs/dbraw/zinc/62/63/25/582626325.db2.gz RJHONWUUGJFYJX-LVXRCVOFSA-N 1 2 239.706 1.314 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\Cl ZINC000891202882 582628657 /nfs/dbraw/zinc/62/86/57/582628657.db2.gz WLMWXZOXAWGRFQ-YAJNLLPGSA-N 1 2 227.695 1.457 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\Cl ZINC000891202882 582628659 /nfs/dbraw/zinc/62/86/59/582628659.db2.gz WLMWXZOXAWGRFQ-YAJNLLPGSA-N 1 2 227.695 1.457 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CS1 ZINC000493273093 533906670 /nfs/dbraw/zinc/90/66/70/533906670.db2.gz PLDKUVWOECXYCP-ALCGYSGWSA-N 1 2 237.328 1.433 20 0 BDADLO C[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493129359 533912533 /nfs/dbraw/zinc/91/25/33/533912533.db2.gz VKDQKXDGNPEKJF-GKQMSVHHSA-N 1 2 205.261 1.291 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccoc2C)CC1 ZINC000495989102 534004285 /nfs/dbraw/zinc/00/42/85/534004285.db2.gz JIHRHEPWZXBFQZ-UHFFFAOYSA-N 1 2 238.287 1.472 20 0 BDADLO CC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360612286 535750669 /nfs/dbraw/zinc/75/06/69/535750669.db2.gz PGBAOIDGFPWJFM-UHFFFAOYSA-N 1 2 222.263 1.494 20 0 BDADLO CC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360612286 535750673 /nfs/dbraw/zinc/75/06/73/535750673.db2.gz PGBAOIDGFPWJFM-UHFFFAOYSA-N 1 2 222.263 1.494 20 0 BDADLO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1nnc(C)s1 ZINC000352195941 535765246 /nfs/dbraw/zinc/76/52/46/535765246.db2.gz VLRNFAGSOAAGRX-SFYZADRCSA-N 1 2 229.349 1.610 20 0 BDADLO CC[N@@H+](C[C@@H](C)O)[C@@H](C)c1nnc(C)s1 ZINC000352195941 535765251 /nfs/dbraw/zinc/76/52/51/535765251.db2.gz VLRNFAGSOAAGRX-SFYZADRCSA-N 1 2 229.349 1.610 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000475622988 534230460 /nfs/dbraw/zinc/23/04/60/534230460.db2.gz WSKMLBKDVZHCHF-RTXFEEFZSA-N 1 2 233.311 1.941 20 0 BDADLO C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCOC1 ZINC000492767163 534272558 /nfs/dbraw/zinc/27/25/58/534272558.db2.gz NMZBQKGITLWAQP-VSQXVHSFSA-N 1 2 235.287 1.108 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)[C@H](C)O1 ZINC000492809537 534277480 /nfs/dbraw/zinc/27/74/80/534277480.db2.gz GDQOYKLHEGDFGR-OFOQJXSYSA-N 1 2 249.314 1.447 20 0 BDADLO CC[C@H](CSC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000227771665 536126778 /nfs/dbraw/zinc/12/67/78/536126778.db2.gz RGQIYVALYVAEPG-ZJUUUORDSA-N 1 2 231.361 1.669 20 0 BDADLO Cc1ccncc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493456609 534424578 /nfs/dbraw/zinc/42/45/78/534424578.db2.gz IVWAJTQWPKRUBH-NSCUHMNNSA-N 1 2 228.255 1.765 20 0 BDADLO CCCCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000889530340 582822128 /nfs/dbraw/zinc/82/21/28/582822128.db2.gz NQTWVAZVHBVWRP-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO Cc1cnc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492820079 534569207 /nfs/dbraw/zinc/56/92/07/534569207.db2.gz AIJWSMUXVNZKRM-IHWYPQMZSA-N 1 2 234.284 1.827 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(C2CC2)CC1 ZINC000493424813 534786109 /nfs/dbraw/zinc/78/61/09/534786109.db2.gz SIUJVVFFQGWFKQ-ONEGZZNKSA-N 1 2 217.272 1.482 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCOC[C@H]1C1CC1 ZINC000493639326 534786210 /nfs/dbraw/zinc/78/62/10/534786210.db2.gz CXNWFMYLCPZJIH-UFFNRZRYSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCCC1CC1 ZINC000492800570 534802624 /nfs/dbraw/zinc/80/26/24/534802624.db2.gz ACNMLAIHQQZAOF-ARJAWSKDSA-N 1 2 221.260 1.271 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccn1 ZINC000493523575 534803497 /nfs/dbraw/zinc/80/34/97/534803497.db2.gz SLQOJCQRBBOCOO-PLNGDYQASA-N 1 2 228.255 1.134 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000493591007 534804466 /nfs/dbraw/zinc/80/44/66/534804466.db2.gz OSEHBHCTHKISEZ-AJHSVWMOSA-N 1 2 231.299 1.728 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(O)c1 ZINC000493308716 534805076 /nfs/dbraw/zinc/80/50/76/534805076.db2.gz YEXJCJZOSWDHEY-PLNGDYQASA-N 1 2 229.239 1.767 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000494318788 534811264 /nfs/dbraw/zinc/81/12/64/534811264.db2.gz SJCDNCMVOPJQQP-GFCCVEGCSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000494318788 534811266 /nfs/dbraw/zinc/81/12/66/534811266.db2.gz SJCDNCMVOPJQQP-GFCCVEGCSA-N 1 2 247.298 1.108 20 0 BDADLO O=C1OCC[C@@H]2CN(c3cccc[nH+]3)CCN12 ZINC000494132435 534812218 /nfs/dbraw/zinc/81/22/18/534812218.db2.gz IYVKTSMENIKXKI-SNVBAGLBSA-N 1 2 233.271 1.113 20 0 BDADLO CC(C)c1nc(N2C[C@@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000351501388 534910210 /nfs/dbraw/zinc/91/02/10/534910210.db2.gz HOSWQIXKOPFGHB-ZJUUUORDSA-N 1 2 221.304 1.417 20 0 BDADLO COC(=O)c1cc(CNc2cccc[nH+]2)cn1C ZINC000347885730 536492378 /nfs/dbraw/zinc/49/23/78/536492378.db2.gz ZECDDLSVRCCSLN-UHFFFAOYSA-N 1 2 245.282 1.819 20 0 BDADLO CC(C)(C)/C=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000493462859 527552380 /nfs/dbraw/zinc/55/23/80/527552380.db2.gz KCJGCBCTKGSSMW-PLNGDYQASA-N 1 2 233.315 1.828 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493352516 527708012 /nfs/dbraw/zinc/70/80/12/527708012.db2.gz MVLBFGKOZXKFBR-CDAZIORVSA-N 1 2 219.288 1.585 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493596286 527713216 /nfs/dbraw/zinc/71/32/16/527713216.db2.gz XBOJLIAEKRCNNQ-TYRPZCRBSA-N 1 2 205.261 1.338 20 0 BDADLO CCCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492811611 527720427 /nfs/dbraw/zinc/72/04/27/527720427.db2.gz KTJNURNKYLZNFB-UTCJRWHESA-N 1 2 219.288 1.824 20 0 BDADLO CCC1(O)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493189620 527803985 /nfs/dbraw/zinc/80/39/85/527803985.db2.gz NNJICQCZAJOSKJ-ONEGZZNKSA-N 1 2 249.314 1.186 20 0 BDADLO CC(C)[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493294511 527816026 /nfs/dbraw/zinc/81/60/26/527816026.db2.gz RTXVBMPGVYCHBO-PGLGOXFNSA-N 1 2 249.314 1.306 20 0 BDADLO CC1(C)SC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493445224 527819883 /nfs/dbraw/zinc/81/98/83/527819883.db2.gz AVALYYFDEIXKRO-RTMURIBGSA-N 1 2 237.328 1.433 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493778004 527972820 /nfs/dbraw/zinc/97/28/20/527972820.db2.gz BEHXKACEOOXQBT-JQBPPHQNSA-N 1 2 233.315 1.974 20 0 BDADLO CCCCN(OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493325171 528447257 /nfs/dbraw/zinc/44/72/57/528447257.db2.gz RYMCFMKTYLKXLO-AATRIKPKSA-N 1 2 223.276 1.613 20 0 BDADLO CCCCN(OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493325173 528447680 /nfs/dbraw/zinc/44/76/80/528447680.db2.gz RYMCFMKTYLKXLO-WAYWQWQTSA-N 1 2 223.276 1.613 20 0 BDADLO CCOC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493593079 528450713 /nfs/dbraw/zinc/45/07/13/528450713.db2.gz RZVMTCIGSMMYDR-SNAWJCMRSA-N 1 2 235.287 1.060 20 0 BDADLO CC(C)C[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493447215 528467431 /nfs/dbraw/zinc/46/74/31/528467431.db2.gz DGCGUZSXIWBPQO-YEZKRMTDSA-N 1 2 221.304 1.974 20 0 BDADLO CCC[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866979 528477496 /nfs/dbraw/zinc/47/74/96/528477496.db2.gz QZMWPVSWNMFQOH-ITKZLYELSA-N 1 2 237.303 1.090 20 0 BDADLO CCO/C=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000493700360 528481754 /nfs/dbraw/zinc/48/17/54/528481754.db2.gz XIKCWUIHUOJBOP-TZOMUSMUSA-N 1 2 237.303 1.186 20 0 BDADLO CCO/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000493700361 528482940 /nfs/dbraw/zinc/48/29/40/528482940.db2.gz XIKCWUIHUOJBOP-ZPMKCOPCSA-N 1 2 237.303 1.186 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000401494915 528501308 /nfs/dbraw/zinc/50/13/08/528501308.db2.gz JIVIEUOYECGOTR-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000401494915 528501311 /nfs/dbraw/zinc/50/13/11/528501311.db2.gz JIVIEUOYECGOTR-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CCO/C=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000493156746 528522657 /nfs/dbraw/zinc/52/26/57/528522657.db2.gz NVHHQEUQLURMKV-YHYXMXQVSA-N 1 2 237.303 1.330 20 0 BDADLO CCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493872172 528542178 /nfs/dbraw/zinc/54/21/78/528542178.db2.gz RIHTXZKHJJTMNU-WAYWQWQTSA-N 1 2 207.277 1.728 20 0 BDADLO CC(C)n1cc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492855734 528571966 /nfs/dbraw/zinc/57/19/66/528571966.db2.gz GXQZVHAGJSAMAE-ONEGZZNKSA-N 1 2 245.286 1.839 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492856291 528691649 /nfs/dbraw/zinc/69/16/49/528691649.db2.gz BNUZUNAYTVJBPT-PGLGOXFNSA-N 1 2 233.315 1.927 20 0 BDADLO CC(C)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492761833 528710382 /nfs/dbraw/zinc/71/03/82/528710382.db2.gz HEQWGMLEXIRDKX-MVZIDQBPSA-N 1 2 249.314 1.306 20 0 BDADLO CC(C)N(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493510395 528766697 /nfs/dbraw/zinc/76/66/97/528766697.db2.gz CRVOZLCKZNVKRB-AATRIKPKSA-N 1 2 219.288 1.822 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000493778798 528766762 /nfs/dbraw/zinc/76/67/62/528766762.db2.gz BQOYFWVPARBOHO-VSQXVHSFSA-N 1 2 249.314 1.449 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493068202 528791694 /nfs/dbraw/zinc/79/16/94/528791694.db2.gz YAKNTWWCNPXZQG-BMPPAVAUSA-N 1 2 233.315 1.831 20 0 BDADLO CC/C=C\CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493423379 528792434 /nfs/dbraw/zinc/79/24/34/528792434.db2.gz AXXQRRBVHCRTGU-OUPQRBNQSA-N 1 2 205.261 1.505 20 0 BDADLO CCCn1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492759977 528886543 /nfs/dbraw/zinc/88/65/43/528886543.db2.gz CRWZBPRSGCNYNG-ARJAWSKDSA-N 1 2 245.286 1.668 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000493757693 528911275 /nfs/dbraw/zinc/91/12/75/528911275.db2.gz PVVQEDRQBVYLNI-DLRQAJBASA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493086993 529014729 /nfs/dbraw/zinc/01/47/29/529014729.db2.gz RTQWOYRCHWPNDK-ONEGZZNKSA-N 1 2 205.261 1.434 20 0 BDADLO CC[C@@H](O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492890968 529218114 /nfs/dbraw/zinc/21/81/14/529218114.db2.gz CNVSLYDGNDLWSB-ISALQUGTSA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@H]1CCCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000488383720 529221252 /nfs/dbraw/zinc/22/12/52/529221252.db2.gz XPJOSFHXBKYVBX-JTQLQIEISA-N 1 2 235.335 1.625 20 0 BDADLO CC[C@H]1CCCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000488383720 529221254 /nfs/dbraw/zinc/22/12/54/529221254.db2.gz XPJOSFHXBKYVBX-JTQLQIEISA-N 1 2 235.335 1.625 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)n(C)n1 ZINC000487382127 529309897 /nfs/dbraw/zinc/30/98/97/529309897.db2.gz UOGFHADSGQCWCE-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)n(C)n1 ZINC000487382127 529309898 /nfs/dbraw/zinc/30/98/98/529309898.db2.gz UOGFHADSGQCWCE-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000175033450 534979660 /nfs/dbraw/zinc/97/96/60/534979660.db2.gz UQFYGNBPXCOXKT-LLVKDONJSA-N 1 2 238.331 1.967 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000175033450 534979664 /nfs/dbraw/zinc/97/96/64/534979664.db2.gz UQFYGNBPXCOXKT-LLVKDONJSA-N 1 2 238.331 1.967 20 0 BDADLO CCC(O)(CC)CC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000349217893 535215940 /nfs/dbraw/zinc/21/59/40/535215940.db2.gz NNHBUTNBUBHZNG-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CCCc1nc(C[N@H+](CC)C[C@@H](C)O)no1 ZINC000352214108 535520485 /nfs/dbraw/zinc/52/04/85/535520485.db2.gz XUNRNHPIYSPODM-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](CC)C[C@@H](C)O)no1 ZINC000352214108 535520493 /nfs/dbraw/zinc/52/04/93/535520493.db2.gz XUNRNHPIYSPODM-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178831094 535545399 /nfs/dbraw/zinc/54/53/99/535545399.db2.gz IHJRFOVNHRKMGF-GHMZBOCLSA-N 1 2 235.331 1.702 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccncc1)C1CCC1 ZINC000261149291 535671363 /nfs/dbraw/zinc/67/13/63/535671363.db2.gz RBZYPLGFQDPPNX-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccncc1)C1CCC1 ZINC000261149291 535671367 /nfs/dbraw/zinc/67/13/67/535671367.db2.gz RBZYPLGFQDPPNX-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](C)SC)C(=O)OC ZINC000169071119 535804452 /nfs/dbraw/zinc/80/44/52/535804452.db2.gz YTNRILBJEUPHSM-HTQZYQBOSA-N 1 2 205.323 1.279 20 0 BDADLO CC[C@H](C)[C@@H](NCc1c[nH+]c[nH]1)C(=O)OC ZINC000054764806 535872188 /nfs/dbraw/zinc/87/21/88/535872188.db2.gz ZFFQEICHUVGPRT-WCBMZHEXSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@H](C)[C@@H](NCc1c[nH]c[nH+]1)C(=O)OC ZINC000054764806 535872194 /nfs/dbraw/zinc/87/21/94/535872194.db2.gz ZFFQEICHUVGPRT-WCBMZHEXSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@]1(C)COCCN1Cc1[nH+]cc(C)n1C ZINC000342796623 535924585 /nfs/dbraw/zinc/92/45/85/535924585.db2.gz KQTPHSXXZWAORA-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348220868 536102802 /nfs/dbraw/zinc/10/28/02/536102802.db2.gz CUIIFKIEBOKMTE-MVWJERBFSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348220868 536102807 /nfs/dbraw/zinc/10/28/07/536102807.db2.gz CUIIFKIEBOKMTE-MVWJERBFSA-N 1 2 241.331 1.437 20 0 BDADLO CCc1nc(N2C[C@H]3CC[C@@H](C2)O3)cc(C)[nH+]1 ZINC000368545938 536126519 /nfs/dbraw/zinc/12/65/19/536126519.db2.gz OSJTVCYGBVHCGW-PHIMTYICSA-N 1 2 233.315 1.715 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335795348 536142247 /nfs/dbraw/zinc/14/22/47/536142247.db2.gz KXPFCKJTIDLFHR-QWRGUYRKSA-N 1 2 235.331 1.702 20 0 BDADLO COC(=O)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000259291376 536338667 /nfs/dbraw/zinc/33/86/67/536338667.db2.gz CYYWZASEWFIHGF-QMMMGPOBSA-N 1 2 209.249 1.149 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccco1 ZINC000084093440 536643574 /nfs/dbraw/zinc/64/35/74/536643574.db2.gz PWHAWJBKBGZRNU-NSHDSACASA-N 1 2 223.272 1.663 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccco1 ZINC000084093440 536643578 /nfs/dbraw/zinc/64/35/78/536643578.db2.gz PWHAWJBKBGZRNU-NSHDSACASA-N 1 2 223.272 1.663 20 0 BDADLO COC1CC([N@H+](C)Cc2cn[nH]c2C)C1 ZINC000348718520 536717276 /nfs/dbraw/zinc/71/72/76/536717276.db2.gz XRHRKFQNJWSPTG-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO COC1CC([N@@H+](C)Cc2cn[nH]c2C)C1 ZINC000348718520 536717278 /nfs/dbraw/zinc/71/72/78/536717278.db2.gz XRHRKFQNJWSPTG-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000348251118 536837191 /nfs/dbraw/zinc/83/71/91/536837191.db2.gz ZGVQATAMILYXOQ-LLVKDONJSA-N 1 2 241.360 1.847 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000348251118 536837198 /nfs/dbraw/zinc/83/71/98/536837198.db2.gz ZGVQATAMILYXOQ-LLVKDONJSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(C(N)=O)cc2)o1 ZINC000235955269 537907660 /nfs/dbraw/zinc/90/76/60/537907660.db2.gz CLHGBOODOLAVKK-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO COc1ccc(N[C@H]2CCCOC2)[nH+]c1 ZINC000225836659 538114337 /nfs/dbraw/zinc/11/43/37/538114337.db2.gz LKASPGXIGKBRAU-VIFPVBQESA-N 1 2 208.261 1.681 20 0 BDADLO Cc1cc(N2CCCCC[C@@H]2CCO)nc[nH+]1 ZINC000343074915 566435792 /nfs/dbraw/zinc/43/57/92/566435792.db2.gz GXJWSIJMDWYJOJ-GFCCVEGCSA-N 1 2 235.331 1.916 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C=CCC1 ZINC000855435268 583105404 /nfs/dbraw/zinc/10/54/04/583105404.db2.gz ASBISCSOVUQZGJ-NXEZZACHSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C=CCC1 ZINC000855435268 583105408 /nfs/dbraw/zinc/10/54/08/583105408.db2.gz ASBISCSOVUQZGJ-NXEZZACHSA-N 1 2 219.288 1.423 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)C1CC1 ZINC000893516040 583155458 /nfs/dbraw/zinc/15/54/58/583155458.db2.gz ITQQDKMZJJAICH-SECBINFHSA-N 1 2 206.245 1.590 20 0 BDADLO CN(C)c1cc(N2CCC[C@](C)(F)C2)nc[nH+]1 ZINC000894006113 583273834 /nfs/dbraw/zinc/27/38/34/583273834.db2.gz QUECEMUUEPOUES-LBPRGKRZSA-N 1 2 238.310 1.871 20 0 BDADLO CN(C)c1cc(N2CCC[C@](C)(F)C2)[nH+]cn1 ZINC000894006113 583273836 /nfs/dbraw/zinc/27/38/36/583273836.db2.gz QUECEMUUEPOUES-LBPRGKRZSA-N 1 2 238.310 1.871 20 0 BDADLO COc1ccc[nH+]c1NCC[C@H](C)CCO ZINC000397659736 583323482 /nfs/dbraw/zinc/32/34/82/583323482.db2.gz KTDQGIFQKSVHNK-JTQLQIEISA-N 1 2 224.304 1.911 20 0 BDADLO CCCCNC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853045232 588717484 /nfs/dbraw/zinc/71/74/84/588717484.db2.gz SGFITPRQAKSLMZ-SECBINFHSA-N 1 2 240.376 1.745 20 0 BDADLO CCCNC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853045871 588717823 /nfs/dbraw/zinc/71/78/23/588717823.db2.gz ZTHBOMFQPRNVBH-MRVPVSSYSA-N 1 2 226.349 1.355 20 0 BDADLO C[C@@H](CC(=O)O[C@@H](C)c1nc[nH]n1)n1cc[nH+]c1 ZINC000853226035 588727475 /nfs/dbraw/zinc/72/74/75/588727475.db2.gz UMFSXHLBJICYJS-IUCAKERBSA-N 1 2 249.274 1.257 20 0 BDADLO Fc1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000853267109 588730114 /nfs/dbraw/zinc/73/01/14/588730114.db2.gz FZCGPINODQFHGA-JTQLQIEISA-N 1 2 247.277 1.654 20 0 BDADLO Cc1nn(C[N@H+]2CCC[C@H](C)CC2)c(=O)o1 ZINC000853494328 588745816 /nfs/dbraw/zinc/74/58/16/588745816.db2.gz YTBMOJOPVRROJE-VIFPVBQESA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@@H+]2CCC[C@H](C)CC2)c(=O)o1 ZINC000853494328 588745817 /nfs/dbraw/zinc/74/58/17/588745817.db2.gz YTBMOJOPVRROJE-VIFPVBQESA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@H+](C)CCC(C)(C)C)c(=O)o1 ZINC000853518824 588747128 /nfs/dbraw/zinc/74/71/28/588747128.db2.gz UHEHJCGITUDISN-UHFFFAOYSA-N 1 2 227.308 1.470 20 0 BDADLO Cc1nn(C[N@@H+](C)CCC(C)(C)C)c(=O)o1 ZINC000853518824 588747129 /nfs/dbraw/zinc/74/71/29/588747129.db2.gz UHEHJCGITUDISN-UHFFFAOYSA-N 1 2 227.308 1.470 20 0 BDADLO Cc1nn(C[N@H+]2CC(C)(C)C[C@H]2C)c(=O)o1 ZINC000853517131 588747267 /nfs/dbraw/zinc/74/72/67/588747267.db2.gz ZBHDIHPLFVRWQB-MRVPVSSYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@@H+]2CC(C)(C)C[C@H]2C)c(=O)o1 ZINC000853517131 588747268 /nfs/dbraw/zinc/74/72/68/588747268.db2.gz ZBHDIHPLFVRWQB-MRVPVSSYSA-N 1 2 225.292 1.223 20 0 BDADLO c1cn2c([nH+]1)[C@@H](Nc1cnccn1)CC2 ZINC000853650846 588752387 /nfs/dbraw/zinc/75/23/87/588752387.db2.gz LIYWHELZGYJVKZ-QMMMGPOBSA-N 1 2 201.233 1.230 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCC1CCC1 ZINC000853670187 588754283 /nfs/dbraw/zinc/75/42/83/588754283.db2.gz ZCYJIVJYLURFHR-UHFFFAOYSA-N 1 2 241.335 1.590 20 0 BDADLO CON1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000853671340 588754308 /nfs/dbraw/zinc/75/43/08/588754308.db2.gz OAGWZYCPOFRXIK-UHFFFAOYSA-N 1 2 248.330 1.346 20 0 BDADLO COc1ccc(CO[NH+]=C(N)[C@@H](C)OC)cc1 ZINC000853674052 588754818 /nfs/dbraw/zinc/75/48/18/588754818.db2.gz PWADMTLZTSYRGM-SECBINFHSA-N 1 2 238.287 1.729 20 0 BDADLO CSc1cccc(CO[NH+]=C(N)CCO)c1 ZINC000853687912 588756662 /nfs/dbraw/zinc/75/66/62/588756662.db2.gz YVMBSVKSRQBBGQ-UHFFFAOYSA-N 1 2 240.328 1.789 20 0 BDADLO COC1(C(N)=[NH+]OCC2CC2)CCOCC1 ZINC000853742900 588760983 /nfs/dbraw/zinc/76/09/83/588760983.db2.gz YKAGOFNSZLEEBM-UHFFFAOYSA-N 1 2 228.292 1.090 20 0 BDADLO Nc1c(N[C@H]2C=CCC2)[nH+]cnc1-n1cccn1 ZINC000853800869 588764021 /nfs/dbraw/zinc/76/40/21/588764021.db2.gz ZHHYDBYQQHWOTQ-VIFPVBQESA-N 1 2 242.286 1.375 20 0 BDADLO C[C@@H](NC(=O)C(C)(F)F)c1[nH+]ccn1C ZINC000853867721 588766837 /nfs/dbraw/zinc/76/68/37/588766837.db2.gz PGJBEVJCMNISRT-ZCFIWIBFSA-N 1 2 217.219 1.253 20 0 BDADLO C[C@@H](CC(=O)OCCOC(F)F)n1cc[nH+]c1 ZINC000853923959 588769202 /nfs/dbraw/zinc/76/92/02/588769202.db2.gz HSDUZAXVLMSLOA-QMMMGPOBSA-N 1 2 248.229 1.617 20 0 BDADLO CC1(C)C[N@H+](CC2OCCO2)[C@@H]1c1ccncc1 ZINC000854042943 588772524 /nfs/dbraw/zinc/77/25/24/588772524.db2.gz XUMCIFHPPYZHOT-CYBMUJFWSA-N 1 2 248.326 1.837 20 0 BDADLO CC1(C)C[N@@H+](CC2OCCO2)[C@@H]1c1ccncc1 ZINC000854042943 588772525 /nfs/dbraw/zinc/77/25/25/588772525.db2.gz XUMCIFHPPYZHOT-CYBMUJFWSA-N 1 2 248.326 1.837 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000854179228 588778313 /nfs/dbraw/zinc/77/83/13/588778313.db2.gz USWUJGBPXJLRNK-MXWKQRLJSA-N 1 2 235.331 1.893 20 0 BDADLO C/C=C/C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345134 588794642 /nfs/dbraw/zinc/79/46/42/588794642.db2.gz MLCFZPIRXZNFMF-MVIFTORASA-N 1 2 235.331 1.990 20 0 BDADLO CO[C@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000854684824 588801170 /nfs/dbraw/zinc/80/11/70/588801170.db2.gz GJEJBJOOZJFKKT-QWRGUYRKSA-N 1 2 249.314 1.259 20 0 BDADLO CO[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000854684822 588801265 /nfs/dbraw/zinc/80/12/65/588801265.db2.gz GJEJBJOOZJFKKT-GHMZBOCLSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000854896128 588815992 /nfs/dbraw/zinc/81/59/92/588815992.db2.gz IIEXYLAPCGVFAL-VIFPVBQESA-N 1 2 221.304 1.742 20 0 BDADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CC(F)(F)F ZINC000854936664 588817250 /nfs/dbraw/zinc/81/72/50/588817250.db2.gz QQYHZKXQDOWKPH-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO CC(=O)CN(CC(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854955769 588818823 /nfs/dbraw/zinc/81/88/23/588818823.db2.gz ACURSHPJYRHWPP-UHFFFAOYSA-N 1 2 237.303 1.026 20 0 BDADLO CCc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000855030170 588821205 /nfs/dbraw/zinc/82/12/05/588821205.db2.gz GUJRLGQJLLPEKG-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CC(C(=O)N(C)Cc1c[nH+]c[nH]1)=C1CCC1 ZINC000855135792 588823370 /nfs/dbraw/zinc/82/33/70/588823370.db2.gz WQOMXQRHTMDCSO-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO CC(C(=O)N(C)Cc1c[nH]c[nH+]1)=C1CCC1 ZINC000855135792 588823371 /nfs/dbraw/zinc/82/33/71/588823371.db2.gz WQOMXQRHTMDCSO-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1CCCOC1 ZINC000855136860 588823386 /nfs/dbraw/zinc/82/33/86/588823386.db2.gz VDVGABFYRGXKRL-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1CCCOC1 ZINC000855136860 588823387 /nfs/dbraw/zinc/82/33/87/588823387.db2.gz VDVGABFYRGXKRL-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C ZINC000855416732 588832024 /nfs/dbraw/zinc/83/20/24/588832024.db2.gz ZIRKNOGCMOERGH-BQBZGAKWSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@@H](CCNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000855416732 588832025 /nfs/dbraw/zinc/83/20/25/588832025.db2.gz ZIRKNOGCMOERGH-BQBZGAKWSA-N 1 2 244.232 1.343 20 0 BDADLO c1cn(-c2cc(N3CC[C@@H]4C[C@@H]43)ncn2)c[nH+]1 ZINC000804688049 582525461 /nfs/dbraw/zinc/52/54/61/582525461.db2.gz GTPYCYGSGCIOIU-ZJUUUORDSA-N 1 2 227.271 1.261 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000855426350 588833871 /nfs/dbraw/zinc/83/38/71/588833871.db2.gz DPSJNNHHGCXOBD-WDEREUQCSA-N 1 2 231.299 1.280 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000890764838 582542095 /nfs/dbraw/zinc/54/20/95/582542095.db2.gz FIUBLUOLRZQSGM-MWLCHTKSSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000890764838 582542097 /nfs/dbraw/zinc/54/20/97/582542097.db2.gz FIUBLUOLRZQSGM-MWLCHTKSSA-N 1 2 219.288 1.423 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000812786093 582564974 /nfs/dbraw/zinc/56/49/74/582564974.db2.gz BVGGWYPLXLWMOP-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1ccoc1 ZINC000812786093 582564976 /nfs/dbraw/zinc/56/49/76/582564976.db2.gz BVGGWYPLXLWMOP-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000844466963 582593835 /nfs/dbraw/zinc/59/38/35/582593835.db2.gz AKYWBENEAJVXIS-VIFPVBQESA-N 1 2 228.246 1.046 20 0 BDADLO C[C@H](CC(=O)OCC1(F)CC1)n1cc[nH+]c1 ZINC000845545723 582613045 /nfs/dbraw/zinc/61/30/45/582613045.db2.gz JOQHFELSUULLDE-SECBINFHSA-N 1 2 226.251 1.880 20 0 BDADLO Cc1nsc(C)c1C[NH+]1CC(O)(C(C)C)C1 ZINC000846878581 582669609 /nfs/dbraw/zinc/66/96/09/582669609.db2.gz IECUGEMITKXRHK-UHFFFAOYSA-N 1 2 240.372 1.963 20 0 BDADLO C[C@@H](c1nccc(N)n1)[NH+]1CCC(F)(F)CC1 ZINC000846881914 582669967 /nfs/dbraw/zinc/66/99/67/582669967.db2.gz FCYHQASHQCYMAL-QMMMGPOBSA-N 1 2 242.273 1.851 20 0 BDADLO CN(Cc1cnn(C)c1)Cc1[nH+]ccn1C1CC1 ZINC000891510682 582694560 /nfs/dbraw/zinc/69/45/60/582694560.db2.gz WLUOUPNVXMEMAQ-UHFFFAOYSA-N 1 2 245.330 1.584 20 0 BDADLO Cc1cc(NCC(=O)N(C)C)nc(C2CCC2)[nH+]1 ZINC000891545575 582695827 /nfs/dbraw/zinc/69/58/27/582695827.db2.gz NVVIBSJIXAMFJZ-UHFFFAOYSA-N 1 2 248.330 1.553 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891542703 582695878 /nfs/dbraw/zinc/69/58/78/582695878.db2.gz JQIVFSNMEHIIJZ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891542703 582695880 /nfs/dbraw/zinc/69/58/80/582695880.db2.gz JQIVFSNMEHIIJZ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO CCNC(=O)CNc1cc(CC)[nH+]c(CC)n1 ZINC000891558225 582697525 /nfs/dbraw/zinc/69/75/25/582697525.db2.gz BJFWBHASUZOJDN-UHFFFAOYSA-N 1 2 236.319 1.149 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCc2ccccc21 ZINC000855738882 588846367 /nfs/dbraw/zinc/84/63/67/588846367.db2.gz ZWJXLVHKLYLTGD-GFCCVEGCSA-N 1 2 241.294 1.756 20 0 BDADLO Cc1cc(CN(C)c2nccn3c[nH+]cc23)no1 ZINC000891755731 582717430 /nfs/dbraw/zinc/71/74/30/582717430.db2.gz ZAANSBWIJTZQDG-UHFFFAOYSA-N 1 2 243.270 1.662 20 0 BDADLO CN(C)c1cc(NC[C@H](O)c2ccco2)[nH+]cn1 ZINC000891778262 582719562 /nfs/dbraw/zinc/71/95/62/582719562.db2.gz LHJPXMBYORIOLU-VIFPVBQESA-N 1 2 248.286 1.281 20 0 BDADLO CN(C)c1cc(NC[C@H](O)c2ccco2)nc[nH+]1 ZINC000891778262 582719564 /nfs/dbraw/zinc/71/95/64/582719564.db2.gz LHJPXMBYORIOLU-VIFPVBQESA-N 1 2 248.286 1.281 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000891783215 582720551 /nfs/dbraw/zinc/72/05/51/582720551.db2.gz ASSAQSJPHLTHRX-QWRGUYRKSA-N 1 2 246.314 1.832 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccccn2)nc[nH+]1 ZINC000891957442 582746353 /nfs/dbraw/zinc/74/63/53/582746353.db2.gz DHJKEUCQTNRNNL-UHFFFAOYSA-N 1 2 243.314 1.574 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccccn2)[nH+]cn1 ZINC000891957442 582746357 /nfs/dbraw/zinc/74/63/57/582746357.db2.gz DHJKEUCQTNRNNL-UHFFFAOYSA-N 1 2 243.314 1.574 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCCCNC2=O)[nH+]1 ZINC000891960669 582748061 /nfs/dbraw/zinc/74/80/61/582748061.db2.gz PFVKJJYMZCXLKJ-GXSJLCMTSA-N 1 2 249.314 1.216 20 0 BDADLO CCc1cc(N(C)C[C@H](C)O)nc(CC)[nH+]1 ZINC000892003511 582759010 /nfs/dbraw/zinc/75/90/10/582759010.db2.gz BWHDSLGUYXJZGK-VIFPVBQESA-N 1 2 223.320 1.418 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)nc[nH+]2)on1 ZINC000892019749 582762318 /nfs/dbraw/zinc/76/23/18/582762318.db2.gz VQJJPBKHNGGVTF-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)[nH+]cn2)on1 ZINC000892019749 582762320 /nfs/dbraw/zinc/76/23/20/582762320.db2.gz VQJJPBKHNGGVTF-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c(C)n1 ZINC000892048347 582773463 /nfs/dbraw/zinc/77/34/63/582773463.db2.gz KBBRSDWXXVRVLJ-NEPJUHHUSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c(C)n1 ZINC000892048347 582773467 /nfs/dbraw/zinc/77/34/67/582773467.db2.gz KBBRSDWXXVRVLJ-NEPJUHHUSA-N 1 2 237.347 1.821 20 0 BDADLO COC1CCC(C[N@H+](C)Cc2nnc[nH]2)CC1 ZINC000892073367 582786311 /nfs/dbraw/zinc/78/63/11/582786311.db2.gz NGMAUXPEWFOOOH-UHFFFAOYSA-N 1 2 238.335 1.442 20 0 BDADLO COC1CCC(C[N@@H+](C)Cc2nnc[nH]2)CC1 ZINC000892073367 582786312 /nfs/dbraw/zinc/78/63/12/582786312.db2.gz NGMAUXPEWFOOOH-UHFFFAOYSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000855857721 588851616 /nfs/dbraw/zinc/85/16/16/588851616.db2.gz PRAXHBZAZMFHQZ-SECBINFHSA-N 1 2 207.277 1.257 20 0 BDADLO CCOCC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000277598651 582816666 /nfs/dbraw/zinc/81/66/66/582816666.db2.gz WMIYXGTVGOXZIE-NSHDSACASA-N 1 2 244.360 1.362 20 0 BDADLO CCOCC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000277598651 582816668 /nfs/dbraw/zinc/81/66/68/582816668.db2.gz WMIYXGTVGOXZIE-NSHDSACASA-N 1 2 244.360 1.362 20 0 BDADLO CCCCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000889530340 582822127 /nfs/dbraw/zinc/82/21/27/582822127.db2.gz NQTWVAZVHBVWRP-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782628894 582927680 /nfs/dbraw/zinc/92/76/80/582927680.db2.gz STQVWNWZLNXFLR-GXFFZTMASA-N 1 2 236.315 1.612 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782628894 582927682 /nfs/dbraw/zinc/92/76/82/582927682.db2.gz STQVWNWZLNXFLR-GXFFZTMASA-N 1 2 236.315 1.612 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](CCO)C2CC2)[nH+]1 ZINC000892658311 582942221 /nfs/dbraw/zinc/94/22/21/582942221.db2.gz UJZCHJNPYBPHBW-BXKDBHETSA-N 1 2 236.315 1.708 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)on2)o1 ZINC000892676430 582949944 /nfs/dbraw/zinc/94/99/44/582949944.db2.gz LICRLSDPTVZFCJ-UHFFFAOYSA-N 1 2 222.244 1.874 20 0 BDADLO CC(C)OCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277016 588866557 /nfs/dbraw/zinc/86/65/57/588866557.db2.gz FXNRZZZXHANROY-JTQLQIEISA-N 1 2 239.319 1.412 20 0 BDADLO CCn1cc(C[NH+]2CC(C(F)(F)F)C2)cn1 ZINC000851856810 582971794 /nfs/dbraw/zinc/97/17/94/582971794.db2.gz CVXUGTXYOKCWOY-UHFFFAOYSA-N 1 2 233.237 1.897 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279875 588866808 /nfs/dbraw/zinc/86/68/08/588866808.db2.gz HESVYZLVZQPOEH-BDAKNGLRSA-N 1 2 227.283 1.591 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCC=CO1)c1[nH+]ccn1C ZINC000856280070 588866838 /nfs/dbraw/zinc/86/68/38/588866838.db2.gz ISFOQMRKWUIVLD-UWVGGRQHSA-N 1 2 235.287 1.290 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000892764732 582977448 /nfs/dbraw/zinc/97/74/48/582977448.db2.gz LSXJOXNEQWPYFH-GARJFASQSA-N 1 2 248.330 1.408 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000892764735 582978003 /nfs/dbraw/zinc/97/80/03/582978003.db2.gz LSXJOXNEQWPYFH-OUAUKWLOSA-N 1 2 248.330 1.408 20 0 BDADLO CCc1cc(NCC2(CO)CC2)nc(CC)[nH+]1 ZINC000892778627 582981461 /nfs/dbraw/zinc/98/14/61/582981461.db2.gz LMBUUHYPFDDBCV-UHFFFAOYSA-N 1 2 235.331 1.786 20 0 BDADLO CCO/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856282643 588867273 /nfs/dbraw/zinc/86/72/73/588867273.db2.gz YGVHILNNRAQBPW-QRJSTWQJSA-N 1 2 223.276 1.148 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856282303 588867298 /nfs/dbraw/zinc/86/72/98/588867298.db2.gz WGXKYOJVFMJVKY-ZETCQYMHSA-N 1 2 231.246 1.643 20 0 BDADLO CN(C[C@H]1CCOC1)c1nccn2c[nH+]cc12 ZINC000892823694 582989490 /nfs/dbraw/zinc/98/94/90/582989490.db2.gz NCVNOCSLYJDOKA-SNVBAGLBSA-N 1 2 232.287 1.202 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NOCC1CCC1 ZINC000856351883 588870277 /nfs/dbraw/zinc/87/02/77/588870277.db2.gz TXHVKBLYZDMUNS-UHFFFAOYSA-N 1 2 223.276 1.190 20 0 BDADLO CC(C)[C@@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892846820 582995473 /nfs/dbraw/zinc/99/54/73/582995473.db2.gz TYPFGVKXNMAJCU-MWLCHTKSSA-N 1 2 224.304 1.564 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cc(=O)[nH]cn1 ZINC000892976728 583023846 /nfs/dbraw/zinc/02/38/46/583023846.db2.gz CVZOMIRRSXZHOO-UHFFFAOYSA-N 1 2 230.271 1.540 20 0 BDADLO Cc1c(CNc2cccc([C@@H](C)O)[nH+]2)cnn1C ZINC000893003714 583028384 /nfs/dbraw/zinc/02/83/84/583028384.db2.gz BVRPMVMCEKXMHN-SNVBAGLBSA-N 1 2 246.314 1.789 20 0 BDADLO CCC[C@@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC000893018417 583030398 /nfs/dbraw/zinc/03/03/98/583030398.db2.gz LBVKHROHPGZGMI-LLVKDONJSA-N 1 2 246.314 1.735 20 0 BDADLO CCc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)no1 ZINC000893044106 583036199 /nfs/dbraw/zinc/03/61/99/583036199.db2.gz GBMLTMGIVAUADE-QMMMGPOBSA-N 1 2 248.286 1.462 20 0 BDADLO C[C@@]1(O)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893062790 583039656 /nfs/dbraw/zinc/03/96/56/583039656.db2.gz VKPDKLDWAUINFY-GFCCVEGCSA-N 1 2 232.287 1.081 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)CCO1 ZINC000893087609 583047072 /nfs/dbraw/zinc/04/70/72/583047072.db2.gz DNZWZPNMZDAFBG-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)CCO1 ZINC000893087609 583047075 /nfs/dbraw/zinc/04/70/75/583047075.db2.gz DNZWZPNMZDAFBG-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H](O)c1cccc(N(C)CC2(O)CCC2)[nH+]1 ZINC000893174228 583064103 /nfs/dbraw/zinc/06/41/03/583064103.db2.gz WSEKOPYDOFYKED-JTQLQIEISA-N 1 2 236.315 1.486 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOCC1CCC1 ZINC000856347179 588868919 /nfs/dbraw/zinc/86/89/19/588868919.db2.gz GJIFSKSKMOQVDG-UHFFFAOYSA-N 1 2 223.276 1.121 20 0 BDADLO COC[C@H]([NH2+]Cc1cnccn1)c1ccco1 ZINC000856771546 588877068 /nfs/dbraw/zinc/87/70/68/588877068.db2.gz HLSQWOHSJWXPQX-NSHDSACASA-N 1 2 233.271 1.547 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](CO)CC(F)F)[nH+]1 ZINC000893490002 583153295 /nfs/dbraw/zinc/15/32/95/583153295.db2.gz LGFGJWRJAUSMAV-HTQZYQBOSA-N 1 2 246.257 1.563 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893499623 583154051 /nfs/dbraw/zinc/15/40/51/583154051.db2.gz CPBPUTRIDVZYRL-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893499623 583154053 /nfs/dbraw/zinc/15/40/53/583154053.db2.gz CPBPUTRIDVZYRL-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H](O)CCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893561829 583164397 /nfs/dbraw/zinc/16/43/97/583164397.db2.gz NAFHSVWDZIHENT-UWVGGRQHSA-N 1 2 224.304 1.708 20 0 BDADLO CNc1cc(N2C[C@@H](C)O[C@@H](C3CC3)C2)nc[nH+]1 ZINC000893591007 583168514 /nfs/dbraw/zinc/16/85/14/583168514.db2.gz DHFUHGLSVJINNJ-MWLCHTKSSA-N 1 2 248.330 1.522 20 0 BDADLO CNc1cc(N2C[C@@H](C)O[C@@H](C3CC3)C2)[nH+]cn1 ZINC000893591007 583168517 /nfs/dbraw/zinc/16/85/17/583168517.db2.gz DHFUHGLSVJINNJ-MWLCHTKSSA-N 1 2 248.330 1.522 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCCOC2)[nH+]1 ZINC000893877141 583240089 /nfs/dbraw/zinc/24/00/89/583240089.db2.gz VDGKQEHUYYOYKG-UWVGGRQHSA-N 1 2 222.288 1.726 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1nccn1C1CC1)C2 ZINC000893888025 583240573 /nfs/dbraw/zinc/24/05/73/583240573.db2.gz GTHLGQJIJVGQQX-GXFFZTMASA-N 1 2 233.315 1.032 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nccn1C1CC1)C2 ZINC000893888025 583240578 /nfs/dbraw/zinc/24/05/78/583240578.db2.gz GTHLGQJIJVGQQX-GXFFZTMASA-N 1 2 233.315 1.032 20 0 BDADLO CC(C)c1c[nH]c(CN(C)CC(=O)N(C)C)[nH+]1 ZINC000893903441 583242609 /nfs/dbraw/zinc/24/26/09/583242609.db2.gz USDKBXIMZRWLQO-UHFFFAOYSA-N 1 2 238.335 1.053 20 0 BDADLO Cc1ncoc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000893902676 583242662 /nfs/dbraw/zinc/24/26/62/583242662.db2.gz LKHKSRQZCSMIQV-UHFFFAOYSA-N 1 2 249.314 1.037 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893962779 583257866 /nfs/dbraw/zinc/25/78/66/583257866.db2.gz QTTQLIWNTUSUQH-SECBINFHSA-N 1 2 249.266 1.607 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000893962779 583257869 /nfs/dbraw/zinc/25/78/69/583257869.db2.gz QTTQLIWNTUSUQH-SECBINFHSA-N 1 2 249.266 1.607 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncnn2C)o1 ZINC000893965072 583262573 /nfs/dbraw/zinc/26/25/73/583262573.db2.gz XPMQRIVDBMDKPU-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO COC(=O)c1cnc(C[N@H+](C)CC2CC2)s1 ZINC000893967036 583263903 /nfs/dbraw/zinc/26/39/03/583263903.db2.gz VMAUZBWQIDGKCN-UHFFFAOYSA-N 1 2 240.328 1.772 20 0 BDADLO COC(=O)c1cnc(C[N@@H+](C)CC2CC2)s1 ZINC000893967036 583263905 /nfs/dbraw/zinc/26/39/05/583263905.db2.gz VMAUZBWQIDGKCN-UHFFFAOYSA-N 1 2 240.328 1.772 20 0 BDADLO Cc1noc([C@@H](C)NCc2[nH+]ccn2C2CC2)n1 ZINC000893973725 583264973 /nfs/dbraw/zinc/26/49/73/583264973.db2.gz QLTATUFAIXGYNZ-MRVPVSSYSA-N 1 2 247.302 1.760 20 0 BDADLO Cc1coc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000893983677 583269427 /nfs/dbraw/zinc/26/94/27/583269427.db2.gz FKBXRONMRWMJOH-OLZOCXBDSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1coc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000893983677 583269429 /nfs/dbraw/zinc/26/94/29/583269429.db2.gz FKBXRONMRWMJOH-OLZOCXBDSA-N 1 2 248.326 1.831 20 0 BDADLO O[C@@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000894000648 583271067 /nfs/dbraw/zinc/27/10/67/583271067.db2.gz LIZOOTYAIYVXPS-SNVBAGLBSA-N 1 2 232.287 1.081 20 0 BDADLO O[C@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000894000647 583271492 /nfs/dbraw/zinc/27/14/92/583271492.db2.gz LIZOOTYAIYVXPS-JTQLQIEISA-N 1 2 232.287 1.081 20 0 BDADLO CCC[C@H](CNc1cc(N(C)C)nc[nH+]1)OC ZINC000894016113 583275682 /nfs/dbraw/zinc/27/56/82/583275682.db2.gz KLUOSHBKDGZQET-SNVBAGLBSA-N 1 2 238.335 1.770 20 0 BDADLO CCC[C@H](CNc1cc(N(C)C)[nH+]cn1)OC ZINC000894016113 583275684 /nfs/dbraw/zinc/27/56/84/583275684.db2.gz KLUOSHBKDGZQET-SNVBAGLBSA-N 1 2 238.335 1.770 20 0 BDADLO C[C@H](CCCO)CNc1cc(N(C)C)nc[nH+]1 ZINC000894029803 583281364 /nfs/dbraw/zinc/28/13/64/583281364.db2.gz IJMXEFFHLIUDEB-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO C[C@H](CCCO)CNc1cc(N(C)C)[nH+]cn1 ZINC000894029803 583281368 /nfs/dbraw/zinc/28/13/68/583281368.db2.gz IJMXEFFHLIUDEB-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000857140237 588890406 /nfs/dbraw/zinc/89/04/06/588890406.db2.gz CCWKXFYEPWPRKP-GDGBQDQQSA-N 1 2 243.266 1.165 20 0 BDADLO CCC1(O)CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000894051151 583289619 /nfs/dbraw/zinc/28/96/19/583289619.db2.gz ZWYQJHBCBAAWKZ-UHFFFAOYSA-N 1 2 237.347 1.763 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ocnc1C ZINC000894087238 583298330 /nfs/dbraw/zinc/29/83/30/583298330.db2.gz WEGYGSXPXMMYHQ-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ocnc1C ZINC000894087238 583298332 /nfs/dbraw/zinc/29/83/32/583298332.db2.gz WEGYGSXPXMMYHQ-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335871 583310604 /nfs/dbraw/zinc/31/06/04/583310604.db2.gz FNLRKNWZKUJTGL-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc(NC)[nH+]cn1 ZINC000894170062 583325687 /nfs/dbraw/zinc/32/56/87/583325687.db2.gz WUVWUWLUFHDNKP-BDAKNGLRSA-N 1 2 222.292 1.498 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000894170062 583325689 /nfs/dbraw/zinc/32/56/89/583325689.db2.gz WUVWUWLUFHDNKP-BDAKNGLRSA-N 1 2 222.292 1.498 20 0 BDADLO CCC1(CC)[C@@H]([NH2+][C@H](C)C(=O)OC)C[C@@H]1OC ZINC000894177870 583328554 /nfs/dbraw/zinc/32/85/54/583328554.db2.gz AVKFSPJIJBNPQF-VWYCJHECSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@@H]1[C@@H](CNc2cccc[nH+]2)C1(F)F ZINC000894196726 583334395 /nfs/dbraw/zinc/33/43/95/583334395.db2.gz ABBLEQNRHABSBC-APPZFPTMSA-N 1 2 242.225 1.548 20 0 BDADLO Cc1ncoc1CN[C@H]1CCC[N@@H+](C)C1 ZINC000894199897 583336191 /nfs/dbraw/zinc/33/61/91/583336191.db2.gz SYRUDCOPRHRSJQ-JTQLQIEISA-N 1 2 209.293 1.167 20 0 BDADLO Cc1ncoc1CN[C@H]1CCC[N@H+](C)C1 ZINC000894199897 583336195 /nfs/dbraw/zinc/33/61/95/583336195.db2.gz SYRUDCOPRHRSJQ-JTQLQIEISA-N 1 2 209.293 1.167 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2cc(C)on2)C1 ZINC000877685573 583342943 /nfs/dbraw/zinc/34/29/43/583342943.db2.gz BOHVARGCDWRMST-UHFFFAOYSA-N 1 2 236.315 1.841 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877754263 583345920 /nfs/dbraw/zinc/34/59/20/583345920.db2.gz ZIDNRXDTAJXBEH-NSHDSACASA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877754263 583345921 /nfs/dbraw/zinc/34/59/21/583345921.db2.gz ZIDNRXDTAJXBEH-NSHDSACASA-N 1 2 223.320 1.311 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCC2=O)C[C@H](CC)O1 ZINC000857236185 588900219 /nfs/dbraw/zinc/90/02/19/588900219.db2.gz DFABXPUIUJERBT-PHIMTYICSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCC2=O)C[C@H](CC)O1 ZINC000857236185 588900220 /nfs/dbraw/zinc/90/02/20/588900220.db2.gz DFABXPUIUJERBT-PHIMTYICSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1C[N@H+](CN2CCC2=O)CC2(CCCC2)O1 ZINC000857235967 588900235 /nfs/dbraw/zinc/90/02/35/588900235.db2.gz CKGWWSCNNLUZIA-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCC2=O)CC2(CCCC2)O1 ZINC000857235967 588900236 /nfs/dbraw/zinc/90/02/36/588900236.db2.gz CKGWWSCNNLUZIA-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO Cc1cccc([C@@H]2CCC[N@@H+]2CN2CCC2=O)n1 ZINC000857236048 588900501 /nfs/dbraw/zinc/90/05/01/588900501.db2.gz XCDPYKZACVFBRF-ZDUSSCGKSA-N 1 2 245.326 1.717 20 0 BDADLO Cc1cccc([C@@H]2CCC[N@H+]2CN2CCC2=O)n1 ZINC000857236048 588900503 /nfs/dbraw/zinc/90/05/03/588900503.db2.gz XCDPYKZACVFBRF-ZDUSSCGKSA-N 1 2 245.326 1.717 20 0 BDADLO C[C@H]1c2ccccc2OCC[N@H+]1CN1CCC1=O ZINC000857238072 588901105 /nfs/dbraw/zinc/90/11/05/588901105.db2.gz CBQXXLLHZUQDQP-NSHDSACASA-N 1 2 246.310 1.632 20 0 BDADLO C[C@H]1c2ccccc2OCC[N@@H+]1CN1CCC1=O ZINC000857238072 588901106 /nfs/dbraw/zinc/90/11/06/588901106.db2.gz CBQXXLLHZUQDQP-NSHDSACASA-N 1 2 246.310 1.632 20 0 BDADLO C[C@H]1C[C@H](CO)CN(c2nccn3c[nH+]cc23)C1 ZINC000894245425 583389368 /nfs/dbraw/zinc/38/93/68/583389368.db2.gz LQIDCVQKKMYEJP-QWRGUYRKSA-N 1 2 246.314 1.184 20 0 BDADLO Cc1ncoc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000894351761 583433621 /nfs/dbraw/zinc/43/36/21/583433621.db2.gz JNJJVFNLAZQVHB-JTQLQIEISA-N 1 2 232.287 1.873 20 0 BDADLO Cc1ncoc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000894351761 583433623 /nfs/dbraw/zinc/43/36/23/583433623.db2.gz JNJJVFNLAZQVHB-JTQLQIEISA-N 1 2 232.287 1.873 20 0 BDADLO Cc1ncoc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000894351763 583433681 /nfs/dbraw/zinc/43/36/81/583433681.db2.gz JNJJVFNLAZQVHB-SNVBAGLBSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1ncoc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000894351763 583433683 /nfs/dbraw/zinc/43/36/83/583433683.db2.gz JNJJVFNLAZQVHB-SNVBAGLBSA-N 1 2 232.287 1.873 20 0 BDADLO CC[N@@H+](Cc1ccccn1)CN1CCC1=O ZINC000857234626 588898969 /nfs/dbraw/zinc/89/89/69/588898969.db2.gz KNRSPJNWHVIVJU-UHFFFAOYSA-N 1 2 219.288 1.093 20 0 BDADLO CC[N@H+](Cc1ccccn1)CN1CCC1=O ZINC000857234626 588898970 /nfs/dbraw/zinc/89/89/70/588898970.db2.gz KNRSPJNWHVIVJU-UHFFFAOYSA-N 1 2 219.288 1.093 20 0 BDADLO CCc1cc(N[C@@H](CO)CCF)nc(CC)[nH+]1 ZINC000894401319 583449619 /nfs/dbraw/zinc/44/96/19/583449619.db2.gz CGISKLHRMAHJDS-SNVBAGLBSA-N 1 2 241.310 1.734 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCC2=O)[C@@H](CC)CO1 ZINC000857235825 588899705 /nfs/dbraw/zinc/89/97/05/588899705.db2.gz AWFRBHHVDADGPN-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCC2=O)[C@@H](CC)CO1 ZINC000857235825 588899706 /nfs/dbraw/zinc/89/97/06/588899706.db2.gz AWFRBHHVDADGPN-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)[nH]1 ZINC000880004559 583453900 /nfs/dbraw/zinc/45/39/00/583453900.db2.gz WVQIALMHLRRUJT-VIFPVBQESA-N 1 2 248.252 1.887 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)[nH]1 ZINC000880004559 583453901 /nfs/dbraw/zinc/45/39/01/583453901.db2.gz WVQIALMHLRRUJT-VIFPVBQESA-N 1 2 248.252 1.887 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1C ZINC000894430222 583456679 /nfs/dbraw/zinc/45/66/79/583456679.db2.gz BCVBQIFQHZPWGA-WDEREUQCSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1C ZINC000894430222 583456684 /nfs/dbraw/zinc/45/66/84/583456684.db2.gz BCVBQIFQHZPWGA-WDEREUQCSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1C ZINC000894453960 583461848 /nfs/dbraw/zinc/46/18/48/583461848.db2.gz JXWJEQGWZNJGAO-GFCCVEGCSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1C ZINC000894453960 583461850 /nfs/dbraw/zinc/46/18/50/583461850.db2.gz JXWJEQGWZNJGAO-GFCCVEGCSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894463871 583465676 /nfs/dbraw/zinc/46/56/76/583465676.db2.gz JSYOJNQTOOYJJQ-UHFFFAOYSA-N 1 2 247.302 1.279 20 0 BDADLO C[S@](=O)Cc1ccccc1NCc1c[nH+]c[nH]1 ZINC000894470929 583468896 /nfs/dbraw/zinc/46/88/96/583468896.db2.gz YNGKRSMLYKJKCH-KRWDZBQOSA-N 1 2 249.339 1.900 20 0 BDADLO C[S@](=O)Cc1ccccc1NCc1c[nH]c[nH+]1 ZINC000894470929 583468898 /nfs/dbraw/zinc/46/88/98/583468898.db2.gz YNGKRSMLYKJKCH-KRWDZBQOSA-N 1 2 249.339 1.900 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000894488526 583470639 /nfs/dbraw/zinc/47/06/39/583470639.db2.gz YVFPOOJJIZJTFP-VHSXEESVSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000894488526 583470642 /nfs/dbraw/zinc/47/06/42/583470642.db2.gz YVFPOOJJIZJTFP-VHSXEESVSA-N 1 2 223.320 1.507 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](CO)C2CCC2)[nH+]1 ZINC000894484684 583470734 /nfs/dbraw/zinc/47/07/34/583470734.db2.gz AOGNRRYFSOQQLI-BXKDBHETSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](CO)C2CCC2)[nH+]1 ZINC000894484695 583470838 /nfs/dbraw/zinc/47/08/38/583470838.db2.gz AOGNRRYFSOQQLI-SKDRFNHKSA-N 1 2 236.315 1.708 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000894535411 583479711 /nfs/dbraw/zinc/47/97/11/583479711.db2.gz SGKORLHEOBWPPL-LSJOCFKGSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000894535411 583479712 /nfs/dbraw/zinc/47/97/12/583479712.db2.gz SGKORLHEOBWPPL-LSJOCFKGSA-N 1 2 224.304 1.981 20 0 BDADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@H](C)C1O ZINC000894545352 583481546 /nfs/dbraw/zinc/48/15/46/583481546.db2.gz UZSZHIQZYZXSTA-UWVGGRQHSA-N 1 2 246.314 1.182 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000894585064 583489021 /nfs/dbraw/zinc/48/90/21/583489021.db2.gz BMNKMZNXGUKMSB-MNOVXSKESA-N 1 2 225.336 1.903 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000894585064 583489023 /nfs/dbraw/zinc/48/90/23/583489023.db2.gz BMNKMZNXGUKMSB-MNOVXSKESA-N 1 2 225.336 1.903 20 0 BDADLO O[C@@H]1Cc2ccccc2N(Cc2c[nH+]c[nH]2)C1 ZINC000894592526 583491920 /nfs/dbraw/zinc/49/19/20/583491920.db2.gz JSMAMIOGXFJKLS-GFCCVEGCSA-N 1 2 229.283 1.333 20 0 BDADLO O[C@@H]1Cc2ccccc2N(Cc2c[nH]c[nH+]2)C1 ZINC000894592526 583491924 /nfs/dbraw/zinc/49/19/24/583491924.db2.gz JSMAMIOGXFJKLS-GFCCVEGCSA-N 1 2 229.283 1.333 20 0 BDADLO Cc1ncccc1CNc1cc(N(C)C)nc[nH+]1 ZINC000894754135 583516221 /nfs/dbraw/zinc/51/62/21/583516221.db2.gz SMBJAQTWZPMQTJ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1ncccc1CNc1cc(N(C)C)[nH+]cn1 ZINC000894754135 583516222 /nfs/dbraw/zinc/51/62/22/583516222.db2.gz SMBJAQTWZPMQTJ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CCn1cc(C[NH+]2CC3(CC(F)C3)C2)nn1 ZINC000894830706 583527613 /nfs/dbraw/zinc/52/76/13/583527613.db2.gz RBVWSNYZHAVJGI-UHFFFAOYSA-N 1 2 224.283 1.232 20 0 BDADLO COc1ccc(C[NH+]2CC(C(F)F)C2)nc1 ZINC000894830791 583527779 /nfs/dbraw/zinc/52/77/79/583527779.db2.gz UBTIDCVJFRQRRY-UHFFFAOYSA-N 1 2 228.242 1.787 20 0 BDADLO CC1(O)C[NH+](Cc2cnn(C3CCC3)c2)C1 ZINC000894831677 583527789 /nfs/dbraw/zinc/52/77/89/583527789.db2.gz ZHBXAFVWRUFKGT-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO FC(F)OC1CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894833316 583528214 /nfs/dbraw/zinc/52/82/14/583528214.db2.gz RUGIEGCEBFHWOY-UHFFFAOYSA-N 1 2 243.257 1.641 20 0 BDADLO COc1ccncc1C[NH2+]Cc1ocnc1C ZINC000894849391 583532040 /nfs/dbraw/zinc/53/20/40/583532040.db2.gz CWTDDNRLCLUCQC-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)no1 ZINC000894860209 583533560 /nfs/dbraw/zinc/53/35/60/583533560.db2.gz DJYZVBPORSXBMF-RKDXNWHRSA-N 1 2 210.277 1.661 20 0 BDADLO COCc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)no1 ZINC000894860209 583533561 /nfs/dbraw/zinc/53/35/61/583533561.db2.gz DJYZVBPORSXBMF-RKDXNWHRSA-N 1 2 210.277 1.661 20 0 BDADLO CCOC1C[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894970827 583561273 /nfs/dbraw/zinc/56/12/73/583561273.db2.gz MIPBVOPAWGUJAU-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO CCc1nc(N2CC(OC(C)C)C2)cc(C)[nH+]1 ZINC000894970812 583561334 /nfs/dbraw/zinc/56/13/34/583561334.db2.gz CQXYQDAHYQOKHJ-UHFFFAOYSA-N 1 2 235.331 1.961 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3CC=CC[C@@H]3C2)nc[nH+]1 ZINC000895010281 583567341 /nfs/dbraw/zinc/56/73/41/583567341.db2.gz SUVSIJAIFGUBAQ-TXEJJXNPSA-N 1 2 244.342 1.945 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3CC=CC[C@@H]3C2)[nH+]cn1 ZINC000895010281 583567342 /nfs/dbraw/zinc/56/73/42/583567342.db2.gz SUVSIJAIFGUBAQ-TXEJJXNPSA-N 1 2 244.342 1.945 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1ccsc1 ZINC000334589561 583587883 /nfs/dbraw/zinc/58/78/83/583587883.db2.gz FUUCJGRVBBTWTR-UHFFFAOYSA-N 1 2 236.300 1.803 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccsc1 ZINC000895113225 583591103 /nfs/dbraw/zinc/59/11/03/583591103.db2.gz HQUDAGPCCQDTGS-AEJSXWLSSA-N 1 2 238.356 1.845 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccsc1 ZINC000895113225 583591105 /nfs/dbraw/zinc/59/11/05/583591105.db2.gz HQUDAGPCCQDTGS-AEJSXWLSSA-N 1 2 238.356 1.845 20 0 BDADLO C[C@]1(F)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000334818487 583591253 /nfs/dbraw/zinc/59/12/53/583591253.db2.gz YIDPOFZEXQGTHP-NSHDSACASA-N 1 2 225.267 1.303 20 0 BDADLO C[C@]1(F)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000334818487 583591255 /nfs/dbraw/zinc/59/12/55/583591255.db2.gz YIDPOFZEXQGTHP-NSHDSACASA-N 1 2 225.267 1.303 20 0 BDADLO Cc1nocc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895119233 583592966 /nfs/dbraw/zinc/59/29/66/583592966.db2.gz WPRVXOMDEUBZCD-UJNFCWOMSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1nocc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895119233 583592967 /nfs/dbraw/zinc/59/29/67/583592967.db2.gz WPRVXOMDEUBZCD-UJNFCWOMSA-N 1 2 237.303 1.080 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(O)c1)C1N=NC(=O)N1C ZINC000895182508 583617790 /nfs/dbraw/zinc/61/77/90/583617790.db2.gz DLKOPUXIIMSTMY-QMMMGPOBSA-N 1 2 248.286 1.077 20 0 BDADLO Cc1n[nH]c(C[NH+]2CC3(CC3(F)F)C2)c1C ZINC000895183822 583618540 /nfs/dbraw/zinc/61/85/40/583618540.db2.gz PTEIAKJLBXVKFZ-UHFFFAOYSA-N 1 2 227.258 1.868 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000895258949 583634450 /nfs/dbraw/zinc/63/44/50/583634450.db2.gz XDNHIGBWYISZCR-JQWIXIFHSA-N 1 2 248.330 1.265 20 0 BDADLO Cc1nc(CN2CC[NH+](CC3(C)CC3)CC2)n[nH]1 ZINC000895265197 583634821 /nfs/dbraw/zinc/63/48/21/583634821.db2.gz KPXJESLIAFCECI-UHFFFAOYSA-N 1 2 249.362 1.031 20 0 BDADLO Cc1nc(C[NH2+]C[C@H]2CC(C)=NO2)cs1 ZINC000895311833 583647203 /nfs/dbraw/zinc/64/72/03/583647203.db2.gz RZQPCDXMNUXRKR-SNVBAGLBSA-N 1 2 225.317 1.706 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC2(C1)CCCO2 ZINC000895392756 583664552 /nfs/dbraw/zinc/66/45/52/583664552.db2.gz AVLIECGJGACEPA-UHFFFAOYSA-N 1 2 233.315 1.337 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H](CCF)C2)c1C ZINC000895404338 583667223 /nfs/dbraw/zinc/66/72/23/583667223.db2.gz FANSDCNWUJSEIM-NSHDSACASA-N 1 2 241.310 1.587 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H](CCF)C2)c1C ZINC000895404338 583667224 /nfs/dbraw/zinc/66/72/24/583667224.db2.gz FANSDCNWUJSEIM-NSHDSACASA-N 1 2 241.310 1.587 20 0 BDADLO FC(F)[C@H]1CC[N@@H+]1C[C@@H]1CCCOC1 ZINC000895430608 583669570 /nfs/dbraw/zinc/66/95/70/583669570.db2.gz GKONDHFZGDYRML-DTWKUNHWSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@H]1CC[N@H+]1C[C@@H]1CCCOC1 ZINC000895430608 583669571 /nfs/dbraw/zinc/66/95/71/583669571.db2.gz GKONDHFZGDYRML-DTWKUNHWSA-N 1 2 205.248 1.752 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000857882612 588920601 /nfs/dbraw/zinc/92/06/01/588920601.db2.gz VQBLAONFEPUKLC-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO CCN1CC[C@@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000857882612 588920603 /nfs/dbraw/zinc/92/06/03/588920603.db2.gz VQBLAONFEPUKLC-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1nccs1 ZINC000895450093 583675686 /nfs/dbraw/zinc/67/56/86/583675686.db2.gz SUDSOFARVMEVMK-MRVPVSSYSA-N 1 2 239.344 1.954 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1nccs1 ZINC000895450093 583675688 /nfs/dbraw/zinc/67/56/88/583675688.db2.gz SUDSOFARVMEVMK-MRVPVSSYSA-N 1 2 239.344 1.954 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887799 588920944 /nfs/dbraw/zinc/92/09/44/588920944.db2.gz OWQZABKMGZYXHN-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(C=C1CCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887417 588921018 /nfs/dbraw/zinc/92/10/18/588921018.db2.gz KSTWXHDOVKBHLY-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ncccc1O ZINC000895487375 583680186 /nfs/dbraw/zinc/68/01/86/583680186.db2.gz ORBONXZLNYVPCP-SECBINFHSA-N 1 2 249.314 1.599 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ncccc1O ZINC000895487375 583680187 /nfs/dbraw/zinc/68/01/87/583680187.db2.gz ORBONXZLNYVPCP-SECBINFHSA-N 1 2 249.314 1.599 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2ccccn2)c[nH+]1 ZINC000895482572 583680883 /nfs/dbraw/zinc/68/08/83/583680883.db2.gz JYBJCGKQSDYKMO-UHFFFAOYSA-N 1 2 244.298 1.960 20 0 BDADLO CCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895482848 583680899 /nfs/dbraw/zinc/68/08/99/583680899.db2.gz HVXJHAPGAOTREU-UHFFFAOYSA-N 1 2 223.320 1.843 20 0 BDADLO O=C(C=C1CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887416 588921157 /nfs/dbraw/zinc/92/11/57/588921157.db2.gz KSTWXHDOVKBHLY-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](C3OCCO3)C2)c1C ZINC000895516309 583683256 /nfs/dbraw/zinc/68/32/56/583683256.db2.gz RWXAJBZGCCASOV-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO COC1CCC(C[NH2+]Cc2c[nH]nn2)CC1 ZINC000895530674 583684975 /nfs/dbraw/zinc/68/49/75/583684975.db2.gz JHMDLZIJQNPHGC-UHFFFAOYSA-N 1 2 224.308 1.100 20 0 BDADLO COC1CCC(C[NH2+]Cc2cn[nH]n2)CC1 ZINC000895530674 583684976 /nfs/dbraw/zinc/68/49/76/583684976.db2.gz JHMDLZIJQNPHGC-UHFFFAOYSA-N 1 2 224.308 1.100 20 0 BDADLO COCc1cc(C[NH+]2CCC(F)CC2)no1 ZINC000895547357 583686678 /nfs/dbraw/zinc/68/66/78/583686678.db2.gz VYINRAQCUFUKTL-UHFFFAOYSA-N 1 2 228.267 1.755 20 0 BDADLO CC(C)CCCC[NH+]1CC(NS(C)(=O)=O)C1 ZINC000895589323 583694738 /nfs/dbraw/zinc/69/47/38/583694738.db2.gz QSJOLHOPEUEPJZ-UHFFFAOYSA-N 1 2 248.392 1.046 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC2CCC2)c[nH+]1 ZINC000895695522 583710515 /nfs/dbraw/zinc/71/05/15/583710515.db2.gz ZGRKVRSTTIFRBV-UHFFFAOYSA-N 1 2 235.331 1.843 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@H](C)CC1 ZINC000895761811 583721819 /nfs/dbraw/zinc/72/18/19/583721819.db2.gz IBLFQLOWSORHME-SNVBAGLBSA-N 1 2 222.288 1.705 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]cc2F)CCO1 ZINC000895762714 583722513 /nfs/dbraw/zinc/72/25/13/583722513.db2.gz RVVCVJGRMZKBDY-SECBINFHSA-N 1 2 210.252 1.836 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]cc2F)CCO1 ZINC000895762716 583722845 /nfs/dbraw/zinc/72/28/45/583722845.db2.gz RVVCVJGRMZKBDY-VIFPVBQESA-N 1 2 210.252 1.836 20 0 BDADLO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808891 583729624 /nfs/dbraw/zinc/72/96/24/583729624.db2.gz WNYDDKUHXPKCLS-DCAQKATOSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804061 583731287 /nfs/dbraw/zinc/73/12/87/583731287.db2.gz MBEDHRKLAAYPNK-KXUCPTDWSA-N 1 2 243.372 1.812 20 0 BDADLO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCOC1=O ZINC000895805010 583732310 /nfs/dbraw/zinc/73/23/10/583732310.db2.gz YPJQDNCKLGPWLB-SKDRFNHKSA-N 1 2 237.274 1.662 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000895805397 583732344 /nfs/dbraw/zinc/73/23/44/583732344.db2.gz STBFNDRANIDMMM-ZPPKWKGLSA-N 1 2 249.285 1.977 20 0 BDADLO O=C(/C=C/C1CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857963226 588925723 /nfs/dbraw/zinc/92/57/23/588925723.db2.gz RDAXIKDQKIAULF-UFFNRZRYSA-N 1 2 231.299 1.280 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccco1 ZINC000895919927 583746613 /nfs/dbraw/zinc/74/66/13/583746613.db2.gz IHWRBRCERDQNFW-OUAUKWLOSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccco1 ZINC000895919927 583746615 /nfs/dbraw/zinc/74/66/15/583746615.db2.gz IHWRBRCERDQNFW-OUAUKWLOSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccco2)[C@@H](C)C(=O)N1C ZINC000895919928 583746719 /nfs/dbraw/zinc/74/67/19/583746719.db2.gz IHWRBRCERDQNFW-VWYCJHECSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccco2)[C@@H](C)C(=O)N1C ZINC000895919928 583746721 /nfs/dbraw/zinc/74/67/21/583746721.db2.gz IHWRBRCERDQNFW-VWYCJHECSA-N 1 2 236.315 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000895925576 583747954 /nfs/dbraw/zinc/74/79/54/583747954.db2.gz FBKOAEMVINMKRE-GFCCVEGCSA-N 1 2 237.347 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000895925576 583747956 /nfs/dbraw/zinc/74/79/56/583747956.db2.gz FBKOAEMVINMKRE-GFCCVEGCSA-N 1 2 237.347 1.701 20 0 BDADLO CSC[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986953 588926298 /nfs/dbraw/zinc/92/62/98/588926298.db2.gz QCSSVRGEIPKYRN-IUCAKERBSA-N 1 2 239.344 1.443 20 0 BDADLO COc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)o1 ZINC000857975983 588926336 /nfs/dbraw/zinc/92/63/36/588926336.db2.gz UVYNGKHCSMAHFD-QMMMGPOBSA-N 1 2 247.254 1.360 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)O1 ZINC000857978325 588926619 /nfs/dbraw/zinc/92/66/19/588926619.db2.gz FFAGIDVMSKENGZ-KOLCDFICSA-N 1 2 249.314 1.402 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)(F)F ZINC000857978865 588926636 /nfs/dbraw/zinc/92/66/36/588926636.db2.gz RDTYNOPYQSPAOQ-HTQZYQBOSA-N 1 2 243.257 1.735 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)s2)CCO1 ZINC000895968635 583754905 /nfs/dbraw/zinc/75/49/05/583754905.db2.gz FKYJQDVCKYHOME-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)s2)CCO1 ZINC000895968635 583754907 /nfs/dbraw/zinc/75/49/07/583754907.db2.gz FKYJQDVCKYHOME-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977124 588926687 /nfs/dbraw/zinc/92/66/87/588926687.db2.gz AOLKBIVOTGHSPL-ZKXNXJMVSA-N 1 2 219.288 1.800 20 0 BDADLO CCC/C=C/C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977486 588926691 /nfs/dbraw/zinc/92/66/91/588926691.db2.gz VYULTKRVDRMSOE-YEZKRMTDSA-N 1 2 219.288 1.800 20 0 BDADLO CO[C@](C)(C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978204 588926749 /nfs/dbraw/zinc/92/67/49/588926749.db2.gz MCTBRUSDRNTVGF-MFKMUULPSA-N 1 2 249.314 1.259 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@H](OC)C1 ZINC000895970785 583756450 /nfs/dbraw/zinc/75/64/50/583756450.db2.gz VGHWJTPCCIUNDC-ZDUSSCGKSA-N 1 2 237.299 1.500 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@H](OC)C1 ZINC000895970785 583756451 /nfs/dbraw/zinc/75/64/51/583756451.db2.gz VGHWJTPCCIUNDC-ZDUSSCGKSA-N 1 2 237.299 1.500 20 0 BDADLO COC/C(C)=C\C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979692 588927186 /nfs/dbraw/zinc/92/71/86/588927186.db2.gz YXCXVHHJGXUEQB-BSKOKIOFSA-N 1 2 235.287 1.037 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCCCO1 ZINC000857980587 588927211 /nfs/dbraw/zinc/92/72/11/588927211.db2.gz LWGVKQZOWMEEAA-ONGXEEELSA-N 1 2 235.287 1.013 20 0 BDADLO COC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCC1 ZINC000857979174 588927220 /nfs/dbraw/zinc/92/72/20/588927220.db2.gz NTBLVQXGHAOIHF-SNVBAGLBSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCCCO1 ZINC000857980586 588927264 /nfs/dbraw/zinc/92/72/64/588927264.db2.gz LWGVKQZOWMEEAA-MWLCHTKSSA-N 1 2 235.287 1.013 20 0 BDADLO CC1(OCC(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857979606 588927364 /nfs/dbraw/zinc/92/73/64/588927364.db2.gz DPQAVTPMXZAXHI-JTQLQIEISA-N 1 2 249.314 1.403 20 0 BDADLO Cc1cc(CCNc2cccc[nH+]2)nn1C ZINC000896031375 583764530 /nfs/dbraw/zinc/76/45/30/583764530.db2.gz UKVDGQXEUXJEPQ-UHFFFAOYSA-N 1 2 216.288 1.778 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](C)C2)c[nH+]1 ZINC000896050164 583766028 /nfs/dbraw/zinc/76/60/28/583766028.db2.gz YGSWHPDLPQYFOE-JTQLQIEISA-N 1 2 235.331 1.795 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980307 588927644 /nfs/dbraw/zinc/92/76/44/588927644.db2.gz XDBSVXZEGOYLFB-VHSXEESVSA-N 1 2 221.304 1.880 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857982624 588927750 /nfs/dbraw/zinc/92/77/50/588927750.db2.gz KLLKYWJNHAYWEP-VIFPVBQESA-N 1 2 219.288 1.634 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982732 588927820 /nfs/dbraw/zinc/92/78/20/588927820.db2.gz RASWGASVRMCQDW-SCZZXKLOSA-N 1 2 225.267 1.438 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000857981914 588928122 /nfs/dbraw/zinc/92/81/22/588928122.db2.gz CFLLJRNAWUHTKR-SRRSOLGSSA-N 1 2 245.326 1.880 20 0 BDADLO Cc1ccc(CNC(=O)NCc2cn(C)c[nH+]2)o1 ZINC000896126175 583773313 /nfs/dbraw/zinc/77/33/13/583773313.db2.gz WXRALYMAWRSNNV-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO COC[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981705 588928189 /nfs/dbraw/zinc/92/81/89/588928189.db2.gz ASTREYJPWJGVRZ-UWVGGRQHSA-N 1 2 237.303 1.117 20 0 BDADLO CN(C)C(=O)c1ccc(C[NH+]2CC3(CC3)C2)[nH]1 ZINC000896122177 583773776 /nfs/dbraw/zinc/77/37/76/583773776.db2.gz POITUCGJWLSGMA-UHFFFAOYSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@H](O)c1ncc(C[NH+]2CC3(CC3)C2)s1 ZINC000896121382 583774106 /nfs/dbraw/zinc/77/41/06/583774106.db2.gz FFWIFZBTHRLLMM-QMMMGPOBSA-N 1 2 224.329 1.792 20 0 BDADLO Cc1cnc(F)cc1C(=O)NCc1[nH+]ccn1C ZINC000896154858 583776270 /nfs/dbraw/zinc/77/62/70/583776270.db2.gz IZLFFPJZFMRQQR-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO C[NH+](C)C1(c2nc(C[C@H]3CCCO3)no2)CC1 ZINC000896169067 583777231 /nfs/dbraw/zinc/77/72/31/583777231.db2.gz CNNZSMAUNSELGE-SECBINFHSA-N 1 2 237.303 1.342 20 0 BDADLO C[NH+](C)C1(c2nc([C@@]3(C)CCCO3)no2)CC1 ZINC000896175057 583778258 /nfs/dbraw/zinc/77/82/58/583778258.db2.gz KFZUGXNCPXFMHO-LLVKDONJSA-N 1 2 237.303 1.646 20 0 BDADLO O=C(CCn1cccc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983806 588928646 /nfs/dbraw/zinc/92/86/46/588928646.db2.gz VLSDZEQQONADSL-NSHDSACASA-N 1 2 244.298 1.336 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983746 588928752 /nfs/dbraw/zinc/92/87/52/588928752.db2.gz DGBJPSPMBSCZHH-KOLCDFICSA-N 1 2 249.314 1.259 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)n1 ZINC000896229714 583784588 /nfs/dbraw/zinc/78/45/88/583784588.db2.gz CSRQIERPKZAEPG-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)n1 ZINC000896229714 583784590 /nfs/dbraw/zinc/78/45/90/583784590.db2.gz CSRQIERPKZAEPG-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cn1 ZINC000857988120 588929236 /nfs/dbraw/zinc/92/92/36/588929236.db2.gz BMBNVCCMQVALPV-NSHDSACASA-N 1 2 242.282 1.461 20 0 BDADLO CC(=O)CCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857988113 588929362 /nfs/dbraw/zinc/92/93/62/588929362.db2.gz BJPVBQHXSKZBMH-JTQLQIEISA-N 1 2 235.287 1.203 20 0 BDADLO Cc1nc(N2CCC(O)(C3CCC3)CC2)cc[nH+]1 ZINC000896325040 583790571 /nfs/dbraw/zinc/79/05/71/583790571.db2.gz MXSQYOKROGEBBX-UHFFFAOYSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C(C)C)CCN2 ZINC000857995486 588929671 /nfs/dbraw/zinc/92/96/71/588929671.db2.gz BCMFTGHTCHWYBD-UHFFFAOYSA-N 1 2 219.288 1.805 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccnc1 ZINC000857989534 588929878 /nfs/dbraw/zinc/92/98/78/588929878.db2.gz IOMYEGYPJQUPKM-JTQLQIEISA-N 1 2 228.255 1.153 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccncc1 ZINC000857991530 588930036 /nfs/dbraw/zinc/93/00/36/588930036.db2.gz ZXERYVUVRDNNKT-JTQLQIEISA-N 1 2 228.255 1.153 20 0 BDADLO CC(=O)CCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857994398 588930130 /nfs/dbraw/zinc/93/01/30/588930130.db2.gz HSGQLTOWFNDDEX-UHFFFAOYSA-N 1 2 247.298 1.518 20 0 BDADLO CO[C@]12CCC[C@@]1([NH2+]Cc1ccon1)CCO2 ZINC000896411347 583800589 /nfs/dbraw/zinc/80/05/89/583800589.db2.gz DEPHOMMKNPTDGC-NEPJUHHUSA-N 1 2 238.287 1.450 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cnccn1)C2 ZINC000896654996 583821109 /nfs/dbraw/zinc/82/11/09/583821109.db2.gz TXZWYBWQMHYNCT-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO CCc1onc(C)c1CNc1cc(NC)[nH+]cn1 ZINC000896663042 583821885 /nfs/dbraw/zinc/82/18/85/583821885.db2.gz GCBBKZZNTBQGNM-UHFFFAOYSA-N 1 2 247.302 1.989 20 0 BDADLO CCc1onc(C)c1CNc1cc(NC)nc[nH+]1 ZINC000896663042 583821886 /nfs/dbraw/zinc/82/18/86/583821886.db2.gz GCBBKZZNTBQGNM-UHFFFAOYSA-N 1 2 247.302 1.989 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2C[C@H](CO)C2)c1C ZINC000896694531 583824677 /nfs/dbraw/zinc/82/46/77/583824677.db2.gz ABACQSBLEPSVMW-MGCOHNPYSA-N 1 2 207.277 1.276 20 0 BDADLO Cc1nc(N(C)Cc2cccc(=O)[nH]2)cc[nH+]1 ZINC000896732337 583828226 /nfs/dbraw/zinc/82/82/26/583828226.db2.gz FAHMXDOEESOLEP-UHFFFAOYSA-N 1 2 230.271 1.522 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)OCCn1cc[nH+]c1 ZINC000795983102 583840847 /nfs/dbraw/zinc/84/08/47/583840847.db2.gz ABAXQGBAZOZWQE-GHMZBOCLSA-N 1 2 240.303 1.487 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CCC(=O)C2)[nH+]c1C ZINC000896907167 583851488 /nfs/dbraw/zinc/85/14/88/583851488.db2.gz ITNGYBNINHLFTK-VIFPVBQESA-N 1 2 235.287 1.012 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(F)nc2C)n1 ZINC000858205790 588938593 /nfs/dbraw/zinc/93/85/93/588938593.db2.gz BZEAWAWTSGWXNW-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO C/C=C(\CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911075 583852984 /nfs/dbraw/zinc/85/29/84/583852984.db2.gz ZZSDTLIKPKMUQL-BJMVGYQFSA-N 1 2 221.304 1.999 20 0 BDADLO CC=C(CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911075 583852986 /nfs/dbraw/zinc/85/29/86/583852986.db2.gz ZZSDTLIKPKMUQL-BJMVGYQFSA-N 1 2 221.304 1.999 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@]2(C)CCCO2)[nH+]c1C ZINC000896917354 583854925 /nfs/dbraw/zinc/85/49/25/583854925.db2.gz VUOVYBIUMMZKLF-GFCCVEGCSA-N 1 2 237.303 1.212 20 0 BDADLO NC(=O)[C@]12CCC[C@H]1CN(c1cccc[nH+]1)C2 ZINC000896919206 583856606 /nfs/dbraw/zinc/85/66/06/583856606.db2.gz VXELWNWONUZHNP-GWCFXTLKSA-N 1 2 231.299 1.173 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ncccc2O)[nH+]c1C ZINC000896922241 583857104 /nfs/dbraw/zinc/85/71/04/583857104.db2.gz ZIPFCXSTUFQQFA-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000896925868 583858114 /nfs/dbraw/zinc/85/81/14/583858114.db2.gz CFRBUPTZCORADX-VHSXEESVSA-N 1 2 214.309 1.078 20 0 BDADLO CCC[C@H]([NH2+]CC(=O)NOC)[C@@H]1CC1(C)C ZINC000896924034 583858462 /nfs/dbraw/zinc/85/84/62/583858462.db2.gz JNZICPCLXNFXGV-UWVGGRQHSA-N 1 2 228.336 1.468 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000896927230 583858647 /nfs/dbraw/zinc/85/86/47/583858647.db2.gz OUSWSYJODNKMSY-IVZWLZJFSA-N 1 2 214.309 1.078 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000896927308 583859147 /nfs/dbraw/zinc/85/91/47/583859147.db2.gz PORUKJFJAOBDTP-MNOVXSKESA-N 1 2 226.320 1.222 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)on1 ZINC000896928501 583859576 /nfs/dbraw/zinc/85/95/76/583859576.db2.gz WSDZSNYQJKMWLJ-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO Cc1c[nH]c(-c2noc(CCn3cc[nH+]c3)n2)n1 ZINC000896932408 583861105 /nfs/dbraw/zinc/86/11/05/583861105.db2.gz GZOOLOWMTCQLFQ-UHFFFAOYSA-N 1 2 244.258 1.207 20 0 BDADLO CCN(CCC(=O)NC)c1[nH]c2ccccc2[nH+]1 ZINC000896983881 583867410 /nfs/dbraw/zinc/86/74/10/583867410.db2.gz CGEMHXVNWAQDAM-UHFFFAOYSA-N 1 2 246.314 1.525 20 0 BDADLO CCc1nc(NCc2cnn(CCF)c2)cc[nH+]1 ZINC000896993467 583867435 /nfs/dbraw/zinc/86/74/35/583867435.db2.gz HPZNPUBFGHYIKW-UHFFFAOYSA-N 1 2 249.293 1.817 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]1 ZINC000897071567 583878135 /nfs/dbraw/zinc/87/81/35/583878135.db2.gz GNYOTSCVLXFJJF-NQKXOFRASA-N 1 2 246.310 1.723 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897072238 583878217 /nfs/dbraw/zinc/87/82/17/583878217.db2.gz GTXMMMYCXARXFH-YODLHVAQSA-N 1 2 220.247 1.230 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(CCCCF)no2)C1 ZINC000897202942 583895547 /nfs/dbraw/zinc/89/55/47/583895547.db2.gz BGFQNSPTSVPFCD-SECBINFHSA-N 1 2 243.282 1.365 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(CCCCF)no2)C1 ZINC000897202942 583895548 /nfs/dbraw/zinc/89/55/48/583895548.db2.gz BGFQNSPTSVPFCD-SECBINFHSA-N 1 2 243.282 1.365 20 0 BDADLO OCCC1CC(Nc2cc(CO)cc[nH+]2)C1 ZINC000897236512 583900172 /nfs/dbraw/zinc/90/01/72/583900172.db2.gz MCANSQAHUGEELL-UHFFFAOYSA-N 1 2 222.288 1.147 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cncc(O)c1 ZINC000897305329 583913361 /nfs/dbraw/zinc/91/33/61/583913361.db2.gz SEEKEFLOHZWNNT-UHFFFAOYSA-N 1 2 247.298 1.936 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C2CC2)CCC1 ZINC000888146163 583971257 /nfs/dbraw/zinc/97/12/57/583971257.db2.gz YQWLEIXYQKUMEO-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO c1ccc(N[C@@H]2COC[C@@H]2C2CC2)[nH+]c1 ZINC000897441584 583984920 /nfs/dbraw/zinc/98/49/20/583984920.db2.gz HCSSGDPSZYYMTF-GHMZBOCLSA-N 1 2 204.273 1.919 20 0 BDADLO Cc1cc(N[C@@H]2Cc3ccccc3[C@H]2O)nc[nH+]1 ZINC000897451404 583985727 /nfs/dbraw/zinc/98/57/27/583985727.db2.gz MDFRWPADFTYWNN-TZMCWYRMSA-N 1 2 241.294 1.855 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@H]1C[C@H]1C ZINC000863457071 583991900 /nfs/dbraw/zinc/99/19/00/583991900.db2.gz AAQPEFYYCMGBRD-VXNVDRBHSA-N 1 2 227.308 1.056 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729385434 583996768 /nfs/dbraw/zinc/99/67/68/583996768.db2.gz GICOZZHRZKHMJK-DKRCXCIFSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729385434 583996770 /nfs/dbraw/zinc/99/67/70/583996770.db2.gz GICOZZHRZKHMJK-DKRCXCIFSA-N 1 2 240.347 1.180 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1nnc(C)s1 ZINC000864052008 583999506 /nfs/dbraw/zinc/99/95/06/583999506.db2.gz YIHBCIMUMDFPKE-SCZZXKLOSA-N 1 2 227.333 1.504 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)ccc(O)c2F)C[C@@H]1O ZINC000897681145 584039541 /nfs/dbraw/zinc/03/95/41/584039541.db2.gz PNQXTDBMLBHLOW-CPCISQLKSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)C[C@@H]1O ZINC000897681145 584039542 /nfs/dbraw/zinc/03/95/42/584039542.db2.gz PNQXTDBMLBHLOW-CPCISQLKSA-N 1 2 243.253 1.483 20 0 BDADLO CCc1nc(OC)ccc1NCc1[nH]cc[nH+]1 ZINC000897711090 584041914 /nfs/dbraw/zinc/04/19/14/584041914.db2.gz DHGNODLSNMMPKK-UHFFFAOYSA-N 1 2 232.287 1.988 20 0 BDADLO Cc1occc1C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897749656 584043568 /nfs/dbraw/zinc/04/35/68/584043568.db2.gz SSWZPUBPFZWZHJ-UHFFFAOYSA-N 1 2 236.271 1.272 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000897833253 584052189 /nfs/dbraw/zinc/05/21/89/584052189.db2.gz BXTAZWSMLQGTJE-IVZWLZJFSA-N 1 2 217.309 1.341 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000897833254 584052217 /nfs/dbraw/zinc/05/22/17/584052217.db2.gz BXTAZWSMLQGTJE-KXUCPTDWSA-N 1 2 217.309 1.341 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CC[C@H]1SC)C(=O)OC ZINC000897833883 584052474 /nfs/dbraw/zinc/05/24/74/584052474.db2.gz BJTLQCVVPPHBNK-OPRDCNLKSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C(=O)OC ZINC000897833872 584052713 /nfs/dbraw/zinc/05/27/13/584052713.db2.gz BENMRXPYRYMFEL-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC ZINC000897834724 584052776 /nfs/dbraw/zinc/05/27/76/584052776.db2.gz XYWCXBAIIXUEEV-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO C[C@]1([NH2+]Cc2nc(Cl)cs2)CCNC1=O ZINC000897868302 584054968 /nfs/dbraw/zinc/05/49/68/584054968.db2.gz HVYAQEMFFGLJII-VIFPVBQESA-N 1 2 245.735 1.165 20 0 BDADLO c1nn(C2CCC2)cc1NCc1c[nH+]c[nH]1 ZINC000897877870 584057275 /nfs/dbraw/zinc/05/72/75/584057275.db2.gz OEONIRVWVWJPRP-UHFFFAOYSA-N 1 2 217.276 1.943 20 0 BDADLO c1nn(C2CCC2)cc1NCc1c[nH]c[nH+]1 ZINC000897877870 584057277 /nfs/dbraw/zinc/05/72/77/584057277.db2.gz OEONIRVWVWJPRP-UHFFFAOYSA-N 1 2 217.276 1.943 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H](C)C2CC2)c[nH+]1 ZINC000897889008 584057881 /nfs/dbraw/zinc/05/78/81/584057881.db2.gz LWVCHBRNNGEMEH-SNVBAGLBSA-N 1 2 235.331 1.841 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cn(C)cn2)o1 ZINC000898045019 584073207 /nfs/dbraw/zinc/07/32/07/584073207.db2.gz GHNTUUJYFRUHCX-UHFFFAOYSA-N 1 2 219.288 1.865 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000898043332 584080396 /nfs/dbraw/zinc/08/03/96/584080396.db2.gz LRYAMYLOYJEWHA-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CC(C)c1c[nH]c(CN2CC[C@H](O)[C@H](F)C2)[nH+]1 ZINC000898183084 584093031 /nfs/dbraw/zinc/09/30/31/584093031.db2.gz HFNZTLZMIPSTPQ-KOLCDFICSA-N 1 2 241.310 1.438 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187370 584094452 /nfs/dbraw/zinc/09/44/52/584094452.db2.gz FPKBSBGEGMVBGT-MNOVXSKESA-N 1 2 242.269 1.313 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187370 584094453 /nfs/dbraw/zinc/09/44/53/584094453.db2.gz FPKBSBGEGMVBGT-MNOVXSKESA-N 1 2 242.269 1.313 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898188656 584095009 /nfs/dbraw/zinc/09/50/09/584095009.db2.gz SNVLUJRITOEVOU-NWDGAFQWSA-N 1 2 227.279 1.747 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898188656 584095011 /nfs/dbraw/zinc/09/50/11/584095011.db2.gz SNVLUJRITOEVOU-NWDGAFQWSA-N 1 2 227.279 1.747 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)n1 ZINC000898192207 584095766 /nfs/dbraw/zinc/09/57/66/584095766.db2.gz GWEYUEILIXURCN-GXSJLCMTSA-N 1 2 240.278 1.000 20 0 BDADLO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cn[nH]c2C)C1 ZINC000858473118 588958571 /nfs/dbraw/zinc/95/85/71/588958571.db2.gz NHOZMSMQIFDJFY-KWQFWETISA-N 1 2 249.314 1.631 20 0 BDADLO CCn1ncc(C[NH2+]C/C=C/Cl)n1 ZINC000898430157 584134321 /nfs/dbraw/zinc/13/43/21/584134321.db2.gz VUPPNTAWDBOVBT-ONEGZZNKSA-N 1 2 200.673 1.140 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898488986 584139985 /nfs/dbraw/zinc/13/99/85/584139985.db2.gz LGBDOIRYFSDUSM-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898488986 584139986 /nfs/dbraw/zinc/13/99/86/584139986.db2.gz LGBDOIRYFSDUSM-UWVGGRQHSA-N 1 2 248.367 1.288 20 0 BDADLO C[C@@H](Nc1cnn(CCF)c1)c1[nH]cc[nH+]1 ZINC000858492402 588960567 /nfs/dbraw/zinc/96/05/67/588960567.db2.gz WTAUHWSRXUSATF-MRVPVSSYSA-N 1 2 223.255 1.749 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2(C3CC3)CCC2)c1 ZINC000898612526 584146204 /nfs/dbraw/zinc/14/62/04/584146204.db2.gz NYHSVWFVZBZNJB-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)NCc1cn(C)c[nH+]1 ZINC000898622227 584147973 /nfs/dbraw/zinc/14/79/73/584147973.db2.gz RTKVESLZMRPOEH-DTORHVGOSA-N 1 2 222.292 1.112 20 0 BDADLO CCOC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898811683 584159997 /nfs/dbraw/zinc/15/99/97/584159997.db2.gz VQWXLJNYDLUMNK-VIFPVBQESA-N 1 2 237.303 1.259 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898893559 584164995 /nfs/dbraw/zinc/16/49/95/584164995.db2.gz MKRLGLKFWQPYOY-UWVGGRQHSA-N 1 2 221.304 1.390 20 0 BDADLO Cc1[nH]ccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898903644 584165392 /nfs/dbraw/zinc/16/53/92/584165392.db2.gz GMYNFJBUZPPQHF-UHFFFAOYSA-N 1 2 246.314 1.685 20 0 BDADLO CC(C)CCS(=O)(=O)CCc1c[nH+]cn1C ZINC000899479429 584218116 /nfs/dbraw/zinc/21/81/16/584218116.db2.gz WSLZQVHJKJGCAR-UHFFFAOYSA-N 1 2 244.360 1.424 20 0 BDADLO CN(CCCF)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000899811401 584238850 /nfs/dbraw/zinc/23/88/50/584238850.db2.gz JWDPUPLSZYOZJN-VIFPVBQESA-N 1 2 239.294 1.333 20 0 BDADLO CN(CCCF)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000899811401 584238851 /nfs/dbraw/zinc/23/88/51/584238851.db2.gz JWDPUPLSZYOZJN-VIFPVBQESA-N 1 2 239.294 1.333 20 0 BDADLO CN(CCCF)C(=O)CCc1c[nH+]cn1C ZINC000899811061 584238936 /nfs/dbraw/zinc/23/89/36/584238936.db2.gz GDJSTWHLAKARDK-UHFFFAOYSA-N 1 2 227.283 1.171 20 0 BDADLO C[C@H]1CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000899914662 584254426 /nfs/dbraw/zinc/25/44/26/584254426.db2.gz VCLGXLLYFBENMR-NSHDSACASA-N 1 2 233.315 1.752 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]1C ZINC000899934374 584257809 /nfs/dbraw/zinc/25/78/09/584257809.db2.gz DPAKKKHASQWXIG-CKYFFXLPSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000899934374 584257812 /nfs/dbraw/zinc/25/78/12/584257812.db2.gz DPAKKKHASQWXIG-CKYFFXLPSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(CCF)NCc1cn2ccccc2[nH+]1 ZINC000899972473 584261082 /nfs/dbraw/zinc/26/10/82/584261082.db2.gz LKAZIJWMBHRTFA-UHFFFAOYSA-N 1 2 221.235 1.310 20 0 BDADLO C/C(=C/C(=O)NC(C)(C)C)C[NH+]1CCOCC1 ZINC000900092906 584273138 /nfs/dbraw/zinc/27/31/38/584273138.db2.gz RNJXVEXAWXGGOP-LUAWRHEFSA-N 1 2 240.347 1.180 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900180561 584283320 /nfs/dbraw/zinc/28/33/20/584283320.db2.gz PTSDWZFBWYJENS-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO CN(C)c1ncccc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900322647 584294693 /nfs/dbraw/zinc/29/46/93/584294693.db2.gz LGCDWLWZHPQDEL-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(c2ccccc2)CC1 ZINC000900509346 584320291 /nfs/dbraw/zinc/32/02/91/584320291.db2.gz UFETUXVZACLPNH-UHFFFAOYSA-N 1 2 241.294 1.758 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC1(c2ccccc2)CC1 ZINC000900509346 584320293 /nfs/dbraw/zinc/32/02/93/584320293.db2.gz UFETUXVZACLPNH-UHFFFAOYSA-N 1 2 241.294 1.758 20 0 BDADLO Cn1cc[nH+]c1Cn1cc(C2CCC2)nn1 ZINC000900532959 584323537 /nfs/dbraw/zinc/32/35/37/584323537.db2.gz UDIJSVOARLAZIH-UHFFFAOYSA-N 1 2 217.276 1.327 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C1CC1 ZINC000900562819 584325210 /nfs/dbraw/zinc/32/52/10/584325210.db2.gz UGNAAMPRVPAATE-NSHDSACASA-N 1 2 219.288 1.353 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(C1CC1)C1CCCC1 ZINC000900564904 584325549 /nfs/dbraw/zinc/32/55/49/584325549.db2.gz CWDMBDGNUKFPEB-UHFFFAOYSA-N 1 2 233.315 1.886 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900592676 584329801 /nfs/dbraw/zinc/32/98/01/584329801.db2.gz LBFQVXUACZCOQH-WPRPVWTQSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900592676 584329803 /nfs/dbraw/zinc/32/98/03/584329803.db2.gz LBFQVXUACZCOQH-WPRPVWTQSA-N 1 2 207.277 1.257 20 0 BDADLO CCOC(=O)C1=CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000858733418 588975586 /nfs/dbraw/zinc/97/55/86/588975586.db2.gz JIRZRBYUUWMZIC-NSHDSACASA-N 1 2 247.298 1.849 20 0 BDADLO C/C(Cl)=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646601 584335525 /nfs/dbraw/zinc/33/55/25/584335525.db2.gz GEPJDZIAKAOZOR-SREVYHEPSA-N 1 2 213.668 1.211 20 0 BDADLO CSC[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000900762681 584346556 /nfs/dbraw/zinc/34/65/56/584346556.db2.gz DJURFYBSJGUMHV-SECBINFHSA-N 1 2 239.344 1.361 20 0 BDADLO CC[C@H]1COCCN1C(=O)CNc1cccc[nH+]1 ZINC000900730706 584347263 /nfs/dbraw/zinc/34/72/63/584347263.db2.gz AJGXBGHTHBCZPK-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccsc1 ZINC000900742208 584348213 /nfs/dbraw/zinc/34/82/13/584348213.db2.gz NSJZJBUFOAPOOV-GXSJLCMTSA-N 1 2 240.328 1.142 20 0 BDADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccsc1 ZINC000900742208 584348216 /nfs/dbraw/zinc/34/82/16/584348216.db2.gz NSJZJBUFOAPOOV-GXSJLCMTSA-N 1 2 240.328 1.142 20 0 BDADLO Cc1cc(C)c(CC(=O)NCc2c[nH+]c[nH]2)s1 ZINC000900781386 584350551 /nfs/dbraw/zinc/35/05/51/584350551.db2.gz QFGBEGWZKXEZQD-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO Cc1cc(C)c(CC(=O)NCc2c[nH]c[nH+]2)s1 ZINC000900781386 584350552 /nfs/dbraw/zinc/35/05/52/584350552.db2.gz QFGBEGWZKXEZQD-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO CCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000900937481 584367458 /nfs/dbraw/zinc/36/74/58/584367458.db2.gz FWDNGLLLGISHHD-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CCC1(NC(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC000900937481 584367460 /nfs/dbraw/zinc/36/74/60/584367460.db2.gz FWDNGLLLGISHHD-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO C/C=C\[C@@H](O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900981355 584372384 /nfs/dbraw/zinc/37/23/84/584372384.db2.gz ASXHTUMSNKSSHC-ZZKXABKFSA-N 1 2 249.314 1.053 20 0 BDADLO C/C=C\[C@@H](O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900981355 584372386 /nfs/dbraw/zinc/37/23/86/584372386.db2.gz ASXHTUMSNKSSHC-ZZKXABKFSA-N 1 2 249.314 1.053 20 0 BDADLO CC(C)=C(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996555 584375409 /nfs/dbraw/zinc/37/54/09/584375409.db2.gz FIBSBTQQGBQIHI-UHFFFAOYSA-N 1 2 221.304 1.999 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901147754 584390958 /nfs/dbraw/zinc/39/09/58/584390958.db2.gz JPDXZPIAKKRTRC-NZGHECTNSA-N 1 2 239.706 1.526 20 0 BDADLO CC(Cl)=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000901147754 584390959 /nfs/dbraw/zinc/39/09/59/584390959.db2.gz JPDXZPIAKKRTRC-NZGHECTNSA-N 1 2 239.706 1.526 20 0 BDADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C[C@@H]1C ZINC000901275834 584413061 /nfs/dbraw/zinc/41/30/61/584413061.db2.gz NFQSGQVTZFJETM-NEPJUHHUSA-N 1 2 247.342 1.998 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000901275148 584413069 /nfs/dbraw/zinc/41/30/69/584413069.db2.gz FDQXGSFJGMPAQB-ZJUUUORDSA-N 1 2 221.304 1.457 20 0 BDADLO CCCOCCOC(=O)NCCn1cc[nH+]c1 ZINC000858880947 588981409 /nfs/dbraw/zinc/98/14/09/588981409.db2.gz GVGHPDUWVHGMGQ-UHFFFAOYSA-N 1 2 241.291 1.036 20 0 BDADLO CCC(=O)CNC(=O)c1ccc(C)[nH+]c1NC ZINC000901257736 584416191 /nfs/dbraw/zinc/41/61/91/584416191.db2.gz HLYGZUKJHFRTRC-UHFFFAOYSA-N 1 2 235.287 1.141 20 0 BDADLO CCC(=O)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901261702 584417262 /nfs/dbraw/zinc/41/72/62/584417262.db2.gz UVDIBJJDKVQGNU-NSHDSACASA-N 1 2 249.314 1.312 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000901302430 584419354 /nfs/dbraw/zinc/41/93/54/584419354.db2.gz XIGNVDXPTJLXFD-IMDSDMBUSA-N 1 2 235.287 1.010 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCCOCC1 ZINC000901337254 584426956 /nfs/dbraw/zinc/42/69/56/584426956.db2.gz TYYQWLYKDMWRAI-LLVKDONJSA-N 1 2 249.314 1.179 20 0 BDADLO C[C@]1(NC(=O)CNc2cccc[nH+]2)CCCOC1 ZINC000901316056 584428763 /nfs/dbraw/zinc/42/87/63/584428763.db2.gz QMMGRLMXFGZGRR-ZDUSSCGKSA-N 1 2 249.314 1.179 20 0 BDADLO CC[N@H+](CC(=O)[O-])Cc1c[nH+]c2c(C)cccn12 ZINC000901426580 584442570 /nfs/dbraw/zinc/44/25/70/584442570.db2.gz MHNQNEXPXCOGNU-UHFFFAOYSA-N 1 2 247.298 1.549 20 0 BDADLO CC[N@@H+](CC(=O)[O-])Cc1c[nH+]c2c(C)cccn12 ZINC000901426580 584442572 /nfs/dbraw/zinc/44/25/72/584442572.db2.gz MHNQNEXPXCOGNU-UHFFFAOYSA-N 1 2 247.298 1.549 20 0 BDADLO Cc1ccc(CCC[NH2+][C@H](C(=O)[O-])C2CC2)c[nH+]1 ZINC000901476517 584448573 /nfs/dbraw/zinc/44/85/73/584448573.db2.gz IAEGNZJWOCRIAP-ZDUSSCGKSA-N 1 2 248.326 1.775 20 0 BDADLO CC(C)c1[nH+]ccn1Cc1[nH]nc2c1COCC2 ZINC000901530838 584459423 /nfs/dbraw/zinc/45/94/23/584459423.db2.gz UWUNCNDXFKOGDS-UHFFFAOYSA-N 1 2 246.314 1.851 20 0 BDADLO CCCc1[nH+]ccn1Cc1[nH]nc2c1COCC2 ZINC000901518055 584461971 /nfs/dbraw/zinc/46/19/71/584461971.db2.gz PMUOVTUBTRXEGZ-UHFFFAOYSA-N 1 2 246.314 1.680 20 0 BDADLO Cc1cc(C)[nH+]c(Cn2cnc(Cl)n2)c1 ZINC000901548518 584464466 /nfs/dbraw/zinc/46/44/66/584464466.db2.gz MWEJKLDZHCBJEX-UHFFFAOYSA-N 1 2 222.679 1.992 20 0 BDADLO CN(C)c1ccc(CSC2COC2)c[nH+]1 ZINC000901634321 584472614 /nfs/dbraw/zinc/47/26/14/584472614.db2.gz RELMQBBTSZIEKL-UHFFFAOYSA-N 1 2 224.329 1.780 20 0 BDADLO CN(C)c1cc(CSC2COC2)cc[nH+]1 ZINC000901634433 584472804 /nfs/dbraw/zinc/47/28/04/584472804.db2.gz JJYVOXJWPYVJEB-UHFFFAOYSA-N 1 2 224.329 1.780 20 0 BDADLO CC(C)CCOC(=O)N1CCn2cc[nH+]c2C1 ZINC000858999953 588989550 /nfs/dbraw/zinc/98/95/50/588989550.db2.gz ZTGDMSLBXZRQKS-UHFFFAOYSA-N 1 2 237.303 1.881 20 0 BDADLO Cc1ccc(C[N@H+](C)CN2CCOC2=O)cc1 ZINC000902029201 584513246 /nfs/dbraw/zinc/51/32/46/584513246.db2.gz VGCDOAQPGIHPAM-UHFFFAOYSA-N 1 2 234.299 1.837 20 0 BDADLO Cc1ccc(C[N@@H+](C)CN2CCOC2=O)cc1 ZINC000902029201 584513247 /nfs/dbraw/zinc/51/32/47/584513247.db2.gz VGCDOAQPGIHPAM-UHFFFAOYSA-N 1 2 234.299 1.837 20 0 BDADLO O=C1[C@@H]2C[C@@H]2CN1C[N@@H+]1CCc2sccc2C1 ZINC000902042699 584515370 /nfs/dbraw/zinc/51/53/70/584515370.db2.gz MWLDWLVEYFIMAB-GHMZBOCLSA-N 1 2 248.351 1.542 20 0 BDADLO O=C1[C@@H]2C[C@@H]2CN1C[N@H+]1CCc2sccc2C1 ZINC000902042699 584515371 /nfs/dbraw/zinc/51/53/71/584515371.db2.gz MWLDWLVEYFIMAB-GHMZBOCLSA-N 1 2 248.351 1.542 20 0 BDADLO Cc1cccc2c1CC[N@H+](CN1CCOC1=O)C2 ZINC000902122060 584528365 /nfs/dbraw/zinc/52/83/65/584528365.db2.gz MIVPMZFLEKXRTM-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO Cc1cccc2c1CC[N@@H+](CN1CCOC1=O)C2 ZINC000902122060 584528366 /nfs/dbraw/zinc/52/83/66/584528366.db2.gz MIVPMZFLEKXRTM-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H]1F ZINC000902212732 584535683 /nfs/dbraw/zinc/53/56/83/584535683.db2.gz IOFJSHOBBVIWKF-RCWTZXSCSA-N 1 2 226.295 1.102 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H]1F ZINC000902212732 584535685 /nfs/dbraw/zinc/53/56/85/584535685.db2.gz IOFJSHOBBVIWKF-RCWTZXSCSA-N 1 2 226.295 1.102 20 0 BDADLO C[C@H]1CC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H]1F ZINC000902212731 584536053 /nfs/dbraw/zinc/53/60/53/584536053.db2.gz IOFJSHOBBVIWKF-NAKRPEOUSA-N 1 2 226.295 1.102 20 0 BDADLO C[C@H]1CC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@@H]1F ZINC000902212731 584536057 /nfs/dbraw/zinc/53/60/57/584536057.db2.gz IOFJSHOBBVIWKF-NAKRPEOUSA-N 1 2 226.295 1.102 20 0 BDADLO CCOCC[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902208467 584538552 /nfs/dbraw/zinc/53/85/52/584538552.db2.gz COTAQDUSBHQVDI-UHFFFAOYSA-N 1 2 248.326 1.568 20 0 BDADLO CCOCC[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902208467 584538554 /nfs/dbraw/zinc/53/85/54/584538554.db2.gz COTAQDUSBHQVDI-UHFFFAOYSA-N 1 2 248.326 1.568 20 0 BDADLO Cc1[nH]c(CNc2cccn(C)c2=O)[nH+]c1C ZINC000902210556 584539157 /nfs/dbraw/zinc/53/91/57/584539157.db2.gz WSONGHKDUWDMGM-UHFFFAOYSA-N 1 2 232.287 1.337 20 0 BDADLO Cc1ccn(Cc2ccc(N(C)C)[nH+]c2)c(=O)n1 ZINC000902238417 584542809 /nfs/dbraw/zinc/54/28/09/584542809.db2.gz KBNPUDPEFQNOLJ-UHFFFAOYSA-N 1 2 244.298 1.061 20 0 BDADLO CCn1c[nH+]cc1CNc1cc(C)cn(C)c1=O ZINC000902259271 584544753 /nfs/dbraw/zinc/54/47/53/584544753.db2.gz GKDLLESVZXLJAO-UHFFFAOYSA-N 1 2 246.314 1.522 20 0 BDADLO O=C1[C@H]2C[C@H]2CN1C[NH+]1CCC(F)(F)CC1 ZINC000902244569 584546249 /nfs/dbraw/zinc/54/62/49/584546249.db2.gz IHYCCYKCEXNALG-IUCAKERBSA-N 1 2 230.258 1.153 20 0 BDADLO CN(C)c1ccc(Cn2cccn2)c[nH+]1 ZINC000902265391 584548849 /nfs/dbraw/zinc/54/88/49/584548849.db2.gz YMBNPQDLEDNIFJ-UHFFFAOYSA-N 1 2 202.261 1.392 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2CCOC2=O)C1 ZINC000902278325 584550571 /nfs/dbraw/zinc/55/05/71/584550571.db2.gz SYSCUBQIEGECJB-JTQLQIEISA-N 1 2 216.256 1.220 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2CCOC2=O)C1 ZINC000902278325 584550574 /nfs/dbraw/zinc/55/05/74/584550574.db2.gz SYSCUBQIEGECJB-JTQLQIEISA-N 1 2 216.256 1.220 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCCOC1CC1 ZINC000902295602 584552709 /nfs/dbraw/zinc/55/27/09/584552709.db2.gz AAJNMSKCZYTSTO-UHFFFAOYSA-N 1 2 235.287 1.302 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCOC2=O)[C@@H](CC)CO1 ZINC000902301453 584553981 /nfs/dbraw/zinc/55/39/81/584553981.db2.gz DFWRIEZFRZCEAZ-QWRGUYRKSA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCOC2=O)[C@@H](CC)CO1 ZINC000902301453 584553982 /nfs/dbraw/zinc/55/39/82/584553982.db2.gz DFWRIEZFRZCEAZ-QWRGUYRKSA-N 1 2 242.319 1.286 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnc(F)c1 ZINC000859059727 588992918 /nfs/dbraw/zinc/99/29/18/588992918.db2.gz JJYQPMCSLSXSIH-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnc(F)c1 ZINC000859059727 588992920 /nfs/dbraw/zinc/99/29/20/588992920.db2.gz JJYQPMCSLSXSIH-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO NC(=[NH+]OCc1ccsc1)[C@@H]1CCCO1 ZINC000902380435 584569117 /nfs/dbraw/zinc/56/91/17/584569117.db2.gz GQOBZKGLTHVEMI-VIFPVBQESA-N 1 2 226.301 1.926 20 0 BDADLO CCn1cnc(CNc2c[nH+]ccc2OC)c1 ZINC000902405897 584574117 /nfs/dbraw/zinc/57/41/17/584574117.db2.gz LLBDVKJQQXRGTQ-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO C[C@@H]1C[C@@H](NCc2csc(N)n2)c2[nH+]ccn21 ZINC000902499217 584619778 /nfs/dbraw/zinc/61/97/78/584619778.db2.gz IGPCTDHROLVRFO-VXNVDRBHSA-N 1 2 249.343 1.717 20 0 BDADLO NC(Cc1ccccc1F)=[NH+]OCCCO ZINC000902622737 584645363 /nfs/dbraw/zinc/64/53/63/584645363.db2.gz IBLZMEFEAMNGSP-UHFFFAOYSA-N 1 2 226.251 1.249 20 0 BDADLO CC(C)n1ccn(C[N@@H+]2CC[C@@H]2CO)c1=S ZINC000902630643 584646975 /nfs/dbraw/zinc/64/69/75/584646975.db2.gz QVNXVTVGOGFPPR-SNVBAGLBSA-N 1 2 241.360 1.624 20 0 BDADLO CC(C)n1ccn(C[N@H+]2CC[C@@H]2CO)c1=S ZINC000902630643 584646976 /nfs/dbraw/zinc/64/69/76/584646976.db2.gz QVNXVTVGOGFPPR-SNVBAGLBSA-N 1 2 241.360 1.624 20 0 BDADLO C[C@@H](O[NH+]=C(N)CCO)c1ccccc1 ZINC000902729530 584661972 /nfs/dbraw/zinc/66/19/72/584661972.db2.gz XJCHALZGHXOAKX-SECBINFHSA-N 1 2 208.261 1.628 20 0 BDADLO Cn1c[nH+]c2cc(OCC(=O)NC3CC3)ccc21 ZINC000902779454 584669502 /nfs/dbraw/zinc/66/95/02/584669502.db2.gz BRXIGDRGJARHSB-UHFFFAOYSA-N 1 2 245.282 1.231 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@@H]3CNC(=O)O3)ccc21 ZINC000902781030 584670012 /nfs/dbraw/zinc/67/00/12/584670012.db2.gz CEKSSKWRONDBOV-VIFPVBQESA-N 1 2 247.254 1.061 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@H]3COCCO3)ccc21 ZINC000902781212 584670165 /nfs/dbraw/zinc/67/01/65/584670165.db2.gz JUFFGBAVQJZPOI-LLVKDONJSA-N 1 2 248.282 1.368 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859076543 588997586 /nfs/dbraw/zinc/99/75/86/588997586.db2.gz HYHGRNPZMQBYLP-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ccnc(F)c1 ZINC000859076543 588997587 /nfs/dbraw/zinc/99/75/87/588997587.db2.gz HYHGRNPZMQBYLP-UHFFFAOYSA-N 1 2 239.294 1.308 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)OC1COC1 ZINC000902942825 584695947 /nfs/dbraw/zinc/69/59/47/584695947.db2.gz KXWJKAFQPGVORC-MRVPVSSYSA-N 1 2 239.275 1.089 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000859120854 589005561 /nfs/dbraw/zinc/00/55/61/589005561.db2.gz KINDMTJBLFFKPC-UHFFFAOYSA-N 1 2 244.335 1.233 20 0 BDADLO CCCOC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000859120854 589005563 /nfs/dbraw/zinc/00/55/63/589005563.db2.gz KINDMTJBLFFKPC-UHFFFAOYSA-N 1 2 244.335 1.233 20 0 BDADLO F[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000902991860 584709819 /nfs/dbraw/zinc/70/98/19/584709819.db2.gz CZHJZAKXXKHEBM-SNVBAGLBSA-N 1 2 231.702 1.970 20 0 BDADLO F[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000902991860 584709820 /nfs/dbraw/zinc/70/98/20/584709820.db2.gz CZHJZAKXXKHEBM-SNVBAGLBSA-N 1 2 231.702 1.970 20 0 BDADLO CCN1CC[C@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902992107 584709962 /nfs/dbraw/zinc/70/99/62/584709962.db2.gz HANUTLQSAANKHB-UWVGGRQHSA-N 1 2 214.284 1.041 20 0 BDADLO CCN1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902992107 584709963 /nfs/dbraw/zinc/70/99/63/584709963.db2.gz HANUTLQSAANKHB-UWVGGRQHSA-N 1 2 214.284 1.041 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](F)C1 ZINC000902996575 584714266 /nfs/dbraw/zinc/71/42/66/584714266.db2.gz VRPFZDKPLHKNMH-ZJUUUORDSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCC[C@H](F)C1 ZINC000902996575 584714267 /nfs/dbraw/zinc/71/42/67/584714267.db2.gz VRPFZDKPLHKNMH-ZJUUUORDSA-N 1 2 209.268 1.972 20 0 BDADLO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](F)C1 ZINC000902997085 584714427 /nfs/dbraw/zinc/71/44/27/584714427.db2.gz PYGPARFMPAXHEP-RYUDHWBXSA-N 1 2 236.290 1.647 20 0 BDADLO NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](F)C1 ZINC000902997085 584714428 /nfs/dbraw/zinc/71/44/28/584714428.db2.gz PYGPARFMPAXHEP-RYUDHWBXSA-N 1 2 236.290 1.647 20 0 BDADLO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](F)C2)CC1 ZINC000903001562 584715623 /nfs/dbraw/zinc/71/56/23/584715623.db2.gz PGVRKYONTRJEFC-GFCCVEGCSA-N 1 2 242.338 1.679 20 0 BDADLO CC1CCN(C(=O)C[N@H+]2CCC[C@@H](F)C2)CC1 ZINC000903001562 584715624 /nfs/dbraw/zinc/71/56/24/584715624.db2.gz PGVRKYONTRJEFC-GFCCVEGCSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](F)C1 ZINC000903003132 584716242 /nfs/dbraw/zinc/71/62/42/584716242.db2.gz JWXMCHKSSPJWOZ-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H](F)C1 ZINC000903003132 584716243 /nfs/dbraw/zinc/71/62/43/584716243.db2.gz JWXMCHKSSPJWOZ-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO OCC(F)(F)C[NH2+][C@H]1CCOC12CCCC2 ZINC000903151695 584732199 /nfs/dbraw/zinc/73/21/99/584732199.db2.gz IACJEGGRRIEVGJ-VIFPVBQESA-N 1 2 235.274 1.305 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC000903397349 584757316 /nfs/dbraw/zinc/75/73/16/584757316.db2.gz XGLHRXKRTRBEPA-DKCNOQQISA-N 1 2 209.293 1.404 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCn2cccc2[C@H]1C ZINC000746498998 584779618 /nfs/dbraw/zinc/77/96/18/584779618.db2.gz BNLJYDVTRFSLRS-IGEMTJHASA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCn2cccc2[C@H]1C ZINC000746498998 584779620 /nfs/dbraw/zinc/77/96/20/584779620.db2.gz BNLJYDVTRFSLRS-IGEMTJHASA-N 1 2 248.326 1.984 20 0 BDADLO C[C@@H]1CCCC[C@H]1OCCN1CC=CC[NH2+]1 ZINC000903488538 584780462 /nfs/dbraw/zinc/78/04/62/584780462.db2.gz ISVOMHBWHLRONA-CHWSQXEVSA-N 1 2 224.348 1.958 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856194 584809167 /nfs/dbraw/zinc/80/91/67/584809167.db2.gz QIKITQPULRUASU-UONOGXRCSA-N 1 2 248.374 1.395 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856194 584809168 /nfs/dbraw/zinc/80/91/68/584809168.db2.gz QIKITQPULRUASU-UONOGXRCSA-N 1 2 248.374 1.395 20 0 BDADLO CCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904271960 584858389 /nfs/dbraw/zinc/85/83/89/584858389.db2.gz GDOCZZSEOANDGF-UHFFFAOYSA-N 1 2 204.233 1.585 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(C2CC2)n1 ZINC000904256501 584859034 /nfs/dbraw/zinc/85/90/34/584859034.db2.gz AWMZUQXEAQTRGB-UHFFFAOYSA-N 1 2 216.244 1.900 20 0 BDADLO CO[C@@H](C)Cc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257962 584859338 /nfs/dbraw/zinc/85/93/38/584859338.db2.gz HBMWJXTXIOOOHD-ZETCQYMHSA-N 1 2 248.286 1.600 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cc(C3CC3)no2)n1 ZINC000877124929 584890935 /nfs/dbraw/zinc/89/09/35/584890935.db2.gz FEDDMLOTQTYZOE-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO CCC(F)(F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000827768844 584901053 /nfs/dbraw/zinc/90/10/53/584901053.db2.gz AWGYNJSVYAWOJZ-UHFFFAOYSA-N 1 2 229.230 1.312 20 0 BDADLO COCCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000731913824 584931288 /nfs/dbraw/zinc/93/12/88/584931288.db2.gz IQOPZKCRLMAAOE-UHFFFAOYSA-N 1 2 248.282 1.375 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000764895958 584932498 /nfs/dbraw/zinc/93/24/98/584932498.db2.gz LWHNTUYUVUHZHZ-ONGXEEELSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000764895958 584932499 /nfs/dbraw/zinc/93/24/99/584932499.db2.gz LWHNTUYUVUHZHZ-ONGXEEELSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000732094426 584933858 /nfs/dbraw/zinc/93/38/58/584933858.db2.gz OUGLUCPWISJHAF-VIFPVBQESA-N 1 2 221.304 1.804 20 0 BDADLO C/C(=C\C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000732094981 584933898 /nfs/dbraw/zinc/93/38/98/584933898.db2.gz WRULDCTXPOTZDR-VQHVLOKHSA-N 1 2 219.288 1.724 20 0 BDADLO CCc1nc(N[C@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000884486753 584954203 /nfs/dbraw/zinc/95/42/03/584954203.db2.gz DZZNWDSNKQOWJP-UWVGGRQHSA-N 1 2 221.304 1.876 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000733955558 584955391 /nfs/dbraw/zinc/95/53/91/584955391.db2.gz IDWDMNYOMYVDDX-QMMMGPOBSA-N 1 2 207.277 1.462 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C(F)(F)F ZINC000733968850 584955950 /nfs/dbraw/zinc/95/59/50/584955950.db2.gz XUWWAMOHLSCKNO-UHFFFAOYSA-N 1 2 229.161 1.835 20 0 BDADLO COC1C[NH+](Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000733995464 584956145 /nfs/dbraw/zinc/95/61/45/584956145.db2.gz LEWAITXPMWUPDZ-UHFFFAOYSA-N 1 2 248.326 1.219 20 0 BDADLO CCC/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000734119934 584957962 /nfs/dbraw/zinc/95/79/62/584957962.db2.gz KIDXPBMKYYWVTI-GQCTYLIASA-N 1 2 221.304 1.746 20 0 BDADLO CCC/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000734119935 584957964 /nfs/dbraw/zinc/95/79/64/584957964.db2.gz KIDXPBMKYYWVTI-XQRVVYSFSA-N 1 2 221.304 1.746 20 0 BDADLO CCc1nc(N2C[C@H](O)CC(C)(C)C2)cc[nH+]1 ZINC000884574792 584958900 /nfs/dbraw/zinc/95/89/00/584958900.db2.gz TYCCCNUAUIEIJD-SNVBAGLBSA-N 1 2 235.331 1.636 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000351356686 585013305 /nfs/dbraw/zinc/01/33/05/585013305.db2.gz VPXNWWILVGZJEQ-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000351356686 585013306 /nfs/dbraw/zinc/01/33/06/585013306.db2.gz VPXNWWILVGZJEQ-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821338201 585015962 /nfs/dbraw/zinc/01/59/62/585015962.db2.gz YHGNCHXDUBZIKN-VIFPVBQESA-N 1 2 233.271 1.444 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CCO1 ZINC000821338201 585015963 /nfs/dbraw/zinc/01/59/63/585015963.db2.gz YHGNCHXDUBZIKN-VIFPVBQESA-N 1 2 233.271 1.444 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)c1 ZINC000890103660 585023428 /nfs/dbraw/zinc/02/34/28/585023428.db2.gz AYQYYVJFEKVSIL-OLZOCXBDSA-N 1 2 247.342 1.863 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)C(C)(C)C ZINC000890114018 585024127 /nfs/dbraw/zinc/02/41/27/585024127.db2.gz UKRLIQOTLFHHBV-VIFPVBQESA-N 1 2 223.320 1.719 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccco1 ZINC000788081503 585027563 /nfs/dbraw/zinc/02/75/63/585027563.db2.gz RERZXKUSLYQGHM-SECBINFHSA-N 1 2 227.235 1.480 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccco1 ZINC000788081503 585027564 /nfs/dbraw/zinc/02/75/64/585027564.db2.gz RERZXKUSLYQGHM-SECBINFHSA-N 1 2 227.235 1.480 20 0 BDADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(F)(F)F ZINC000737994415 585040095 /nfs/dbraw/zinc/04/00/95/585040095.db2.gz DPZQODNZVBBRJF-MRVPVSSYSA-N 1 2 238.253 1.347 20 0 BDADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(F)(F)F ZINC000737994415 585040096 /nfs/dbraw/zinc/04/00/96/585040096.db2.gz DPZQODNZVBBRJF-MRVPVSSYSA-N 1 2 238.253 1.347 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000738320711 585042670 /nfs/dbraw/zinc/04/26/70/585042670.db2.gz PPJCJMWDUGOSBI-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000738320711 585042671 /nfs/dbraw/zinc/04/26/71/585042671.db2.gz PPJCJMWDUGOSBI-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccsn1 ZINC000838052918 585044008 /nfs/dbraw/zinc/04/40/08/585044008.db2.gz JDDPHPCTKIIKBE-UHFFFAOYSA-N 1 2 237.284 1.587 20 0 BDADLO Cc1ccc(COC(=O)[C@@H](O)C2CCC2)c(C)[nH+]1 ZINC000838313318 585052867 /nfs/dbraw/zinc/05/28/67/585052867.db2.gz SKLRCTMHULZUBT-ZDUSSCGKSA-N 1 2 249.310 1.903 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@H]1CC=CCC1 ZINC000838479996 585059186 /nfs/dbraw/zinc/05/91/86/585059186.db2.gz CJWVTGAQFBEUBZ-WDEREUQCSA-N 1 2 246.314 1.736 20 0 BDADLO CCON(C)C(=O)NCc1c[nH+]ccc1OC ZINC000838601423 585063574 /nfs/dbraw/zinc/06/35/74/585063574.db2.gz IDRBSSDZKUSRQL-UHFFFAOYSA-N 1 2 239.275 1.183 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838640544 585064216 /nfs/dbraw/zinc/06/42/16/585064216.db2.gz XMKQSPFXUCCPQO-GMTAPVOTSA-N 1 2 248.330 1.910 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](O)C1CC1)C(=O)OC ZINC000838848676 585074693 /nfs/dbraw/zinc/07/46/93/585074693.db2.gz ALJSKFOVXDWZPM-ZYHUDNBSSA-N 1 2 229.320 1.079 20 0 BDADLO O[C@@H](C[N@@H+]1CCOC[C@H]1c1ccco1)C1CC1 ZINC000838847760 585074816 /nfs/dbraw/zinc/07/48/16/585074816.db2.gz BXYWUKBWGRRFPU-RYUDHWBXSA-N 1 2 237.299 1.424 20 0 BDADLO O[C@@H](C[N@H+]1CCOC[C@H]1c1ccco1)C1CC1 ZINC000838847760 585074817 /nfs/dbraw/zinc/07/48/17/585074817.db2.gz BXYWUKBWGRRFPU-RYUDHWBXSA-N 1 2 237.299 1.424 20 0 BDADLO CCn1ncc(CNc2cccc[nH+]2)n1 ZINC000838906904 585077668 /nfs/dbraw/zinc/07/76/68/585077668.db2.gz BVIAWFXXOQBSGK-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2ccco2)n1 ZINC000838894462 585078883 /nfs/dbraw/zinc/07/88/83/585078883.db2.gz IHBSNDMNKHOZNX-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCn1ncc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000839011508 585087253 /nfs/dbraw/zinc/08/72/53/585087253.db2.gz MBQJHBGVKSEKRP-NSHDSACASA-N 1 2 246.318 1.358 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CC)n2)CCCO1 ZINC000839072684 585089510 /nfs/dbraw/zinc/08/95/10/585089510.db2.gz FFCDGFKDEDGYGV-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CC)n2)CCCO1 ZINC000839072684 585089511 /nfs/dbraw/zinc/08/95/11/585089511.db2.gz FFCDGFKDEDGYGV-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO COCc1ccc(C[NH+]2CC(O)(C(C)C)C2)o1 ZINC000839133761 585093882 /nfs/dbraw/zinc/09/38/82/585093882.db2.gz ZXXDNTOGNAKZDF-UHFFFAOYSA-N 1 2 239.315 1.629 20 0 BDADLO Cc1ccc(C[NH+]2CC(O)(C(C)C)C2)nc1 ZINC000839133736 585093885 /nfs/dbraw/zinc/09/38/85/585093885.db2.gz YOLKUQQYPIBTSP-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194214 585097916 /nfs/dbraw/zinc/09/79/16/585097916.db2.gz HEAPPBOBDYLXKJ-UTUOFQBUSA-N 1 2 241.331 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194214 585097917 /nfs/dbraw/zinc/09/79/17/585097917.db2.gz HEAPPBOBDYLXKJ-UTUOFQBUSA-N 1 2 241.331 1.439 20 0 BDADLO CC(=O)COC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000741029555 585109314 /nfs/dbraw/zinc/10/93/14/585109314.db2.gz PUEBSHBGRQHDJW-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO Cc1cc(COC(=O)[C@H]2CCCC[N@H+]2C)no1 ZINC000741146589 585110239 /nfs/dbraw/zinc/11/02/39/585110239.db2.gz MYECYDRETSFPJD-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1cc(COC(=O)[C@H]2CCCC[N@@H+]2C)no1 ZINC000741146589 585110240 /nfs/dbraw/zinc/11/02/40/585110240.db2.gz MYECYDRETSFPJD-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000741245250 585111870 /nfs/dbraw/zinc/11/18/70/585111870.db2.gz FNBMVRPWPXVOPM-NWDGAFQWSA-N 1 2 239.315 1.359 20 0 BDADLO CCOC(=O)[C@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000741245250 585111871 /nfs/dbraw/zinc/11/18/71/585111871.db2.gz FNBMVRPWPXVOPM-NWDGAFQWSA-N 1 2 239.315 1.359 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741739828 585117445 /nfs/dbraw/zinc/11/74/45/585117445.db2.gz GYVVTEZBHJNJGI-IUCAKERBSA-N 1 2 215.256 1.929 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742194599 585122507 /nfs/dbraw/zinc/12/25/07/585122507.db2.gz ICUBKBNIIRPHSY-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncsc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742194599 585122508 /nfs/dbraw/zinc/12/25/08/585122508.db2.gz ICUBKBNIIRPHSY-QMMMGPOBSA-N 1 2 239.344 1.228 20 0 BDADLO CCOCCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000742363472 585124823 /nfs/dbraw/zinc/12/48/23/585124823.db2.gz GKDPTUOCJUNLNE-LLVKDONJSA-N 1 2 246.351 1.973 20 0 BDADLO CCC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745088373 585156425 /nfs/dbraw/zinc/15/64/25/585156425.db2.gz NIBOXOVSTJVPEV-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO CCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745088373 585156426 /nfs/dbraw/zinc/15/64/26/585156426.db2.gz NIBOXOVSTJVPEV-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)Cn1cc[nH+]c1 ZINC000746122654 585163305 /nfs/dbraw/zinc/16/33/05/585163305.db2.gz VCTAJBHJRKSFEV-SNVBAGLBSA-N 1 2 233.271 1.224 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ncccn1 ZINC000746266124 585166679 /nfs/dbraw/zinc/16/66/79/585166679.db2.gz SAULWEUNGINWPS-UHFFFAOYSA-N 1 2 228.255 1.108 20 0 BDADLO FCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746494418 585168677 /nfs/dbraw/zinc/16/86/77/585168677.db2.gz GMISWJVIJHZKFQ-UHFFFAOYSA-N 1 2 226.270 1.917 20 0 BDADLO Oc1ccc(N2CC[NH+](CCF)CC2)cc1 ZINC000746496655 585168974 /nfs/dbraw/zinc/16/89/74/585168974.db2.gz ZRSMJIAZYSYPKQ-UHFFFAOYSA-N 1 2 224.279 1.484 20 0 BDADLO C/C=C/C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746540086 585169754 /nfs/dbraw/zinc/16/97/54/585169754.db2.gz QFFLXQJEVPFYJY-HWKANZROSA-N 1 2 243.310 1.878 20 0 BDADLO COCC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000746618438 585171091 /nfs/dbraw/zinc/17/10/91/585171091.db2.gz HSXOUBDDOLPMCI-UHFFFAOYSA-N 1 2 242.344 1.226 20 0 BDADLO Cc1cnc([C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000789605052 585172702 /nfs/dbraw/zinc/17/27/02/585172702.db2.gz DNXSJROLLSZMFF-IUCAKERBSA-N 1 2 239.275 1.721 20 0 BDADLO C/C=C/C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747400099 585178425 /nfs/dbraw/zinc/17/84/25/585178425.db2.gz FXSSBVCTSUXPPV-HMDXOVGESA-N 1 2 207.277 1.212 20 0 BDADLO CC(C)(C)/C=C/C(=O)OCC[NH+]1CCOCC1 ZINC000747699104 585182416 /nfs/dbraw/zinc/18/24/16/585182416.db2.gz ATIXOXUYBVCLPY-SNAWJCMRSA-N 1 2 241.331 1.464 20 0 BDADLO COc1cc[nH+]cc1NC(=S)NC(C)C ZINC000748156792 585188316 /nfs/dbraw/zinc/18/83/16/585188316.db2.gz IXBHAXBIAGNWFL-UHFFFAOYSA-N 1 2 225.317 1.785 20 0 BDADLO C[C@H](CC(=O)Nc1cc[nH+]cc1O)C1CC1 ZINC000748313099 585190623 /nfs/dbraw/zinc/19/06/23/585190623.db2.gz WLTJXOBPWJCAGC-MRVPVSSYSA-N 1 2 220.272 1.584 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC(C)C)C1 ZINC000748460597 585193171 /nfs/dbraw/zinc/19/31/71/585193171.db2.gz UGSRYEPUNRNJQP-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC(C)C)C1 ZINC000748460597 585193172 /nfs/dbraw/zinc/19/31/72/585193172.db2.gz UGSRYEPUNRNJQP-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCCOC[C@H]1C ZINC000749515023 585203495 /nfs/dbraw/zinc/20/34/95/585203495.db2.gz JMEFZGJAFXUBAI-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCCOC[C@H]1C ZINC000749515023 585203494 /nfs/dbraw/zinc/20/34/94/585203494.db2.gz JMEFZGJAFXUBAI-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO O=C(N1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751275840 585226413 /nfs/dbraw/zinc/22/64/13/585226413.db2.gz WBCJPGVRNGRYIP-UHFFFAOYSA-N 1 2 248.330 1.805 20 0 BDADLO O=C(N1CCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751275840 585226414 /nfs/dbraw/zinc/22/64/14/585226414.db2.gz WBCJPGVRNGRYIP-UHFFFAOYSA-N 1 2 248.330 1.805 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)CCn1cc[nH+]c1 ZINC000751322577 585226711 /nfs/dbraw/zinc/22/67/11/585226711.db2.gz FIAIIKDNFPFUBY-LLVKDONJSA-N 1 2 247.298 1.614 20 0 BDADLO CC(C)=C(C)C(=O)NCc1[nH+]ccn1C ZINC000751377072 585228279 /nfs/dbraw/zinc/22/82/79/585228279.db2.gz SEVWAJWFTCPUEQ-UHFFFAOYSA-N 1 2 207.277 1.393 20 0 BDADLO CC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000751470484 585231150 /nfs/dbraw/zinc/23/11/50/585231150.db2.gz LEDYTMJQCUKVQZ-SNVBAGLBSA-N 1 2 217.334 1.029 20 0 BDADLO CS/C=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000751560310 585232666 /nfs/dbraw/zinc/23/26/66/585232666.db2.gz QDSZSNDDUKLKBD-JVBZPZKUSA-N 1 2 225.317 1.265 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cn1ncn(C)c1=S ZINC000751948731 585239361 /nfs/dbraw/zinc/23/93/61/585239361.db2.gz FGCHDJKFTYWIIL-VIFPVBQESA-N 1 2 242.348 1.019 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cn1ncn(C)c1=S ZINC000751948731 585239362 /nfs/dbraw/zinc/23/93/62/585239362.db2.gz FGCHDJKFTYWIIL-VIFPVBQESA-N 1 2 242.348 1.019 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3ccnc(F)c3)CCN12 ZINC000859219956 589020639 /nfs/dbraw/zinc/02/06/39/589020639.db2.gz MDSVJNCFWWEQRY-NSHDSACASA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3ccnc(F)c3)CCN12 ZINC000859219956 589020640 /nfs/dbraw/zinc/02/06/40/589020640.db2.gz MDSVJNCFWWEQRY-NSHDSACASA-N 1 2 249.289 1.027 20 0 BDADLO CCC/C=C\C(=O)NCc1c[nH+]cn1C ZINC000752950106 585251599 /nfs/dbraw/zinc/25/15/99/585251599.db2.gz FSHLUGYQJMFWOK-WAYWQWQTSA-N 1 2 207.277 1.393 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)C(C)(C)C ZINC000753769628 585268568 /nfs/dbraw/zinc/26/85/68/585268568.db2.gz NRSVJBSCYYCPTN-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)C(C)(C)C ZINC000753769628 585268569 /nfs/dbraw/zinc/26/85/69/585268569.db2.gz NRSVJBSCYYCPTN-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893885 585271731 /nfs/dbraw/zinc/27/17/31/585271731.db2.gz CCGDLCRRQIHXRY-TXEJJXNPSA-N 1 2 241.331 1.583 20 0 BDADLO CCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893885 585271732 /nfs/dbraw/zinc/27/17/32/585271732.db2.gz CCGDLCRRQIHXRY-TXEJJXNPSA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000754009778 585275053 /nfs/dbraw/zinc/27/50/53/585275053.db2.gz LAQMWFPGHYAJTH-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000754009778 585275054 /nfs/dbraw/zinc/27/50/54/585275054.db2.gz LAQMWFPGHYAJTH-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO C[N@H+](CN1C(=O)SC(C)(C)C1=O)C1CCC1 ZINC000754006429 585275093 /nfs/dbraw/zinc/27/50/93/585275093.db2.gz YOTVYYSOIQIDKE-UHFFFAOYSA-N 1 2 242.344 1.902 20 0 BDADLO C[N@@H+](CN1C(=O)SC(C)(C)C1=O)C1CCC1 ZINC000754006429 585275094 /nfs/dbraw/zinc/27/50/94/585275094.db2.gz YOTVYYSOIQIDKE-UHFFFAOYSA-N 1 2 242.344 1.902 20 0 BDADLO O=C(C=C1CCCC1)NCc1c[nH+]c[nH]1 ZINC000754303054 585282361 /nfs/dbraw/zinc/28/23/61/585282361.db2.gz OFFPVUBJRCZWNQ-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO O=C(C=C1CCCC1)NCc1c[nH]c[nH+]1 ZINC000754303054 585282362 /nfs/dbraw/zinc/28/23/62/585282362.db2.gz OFFPVUBJRCZWNQ-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO CCc1cnc(C[N@@H+]2CCOC[C@H](C)C2)o1 ZINC000754384491 585283766 /nfs/dbraw/zinc/28/37/66/585283766.db2.gz BZBAKDGRXAVUEG-SNVBAGLBSA-N 1 2 224.304 1.705 20 0 BDADLO CCc1cnc(C[N@H+]2CCOC[C@H](C)C2)o1 ZINC000754384491 585283767 /nfs/dbraw/zinc/28/37/67/585283767.db2.gz BZBAKDGRXAVUEG-SNVBAGLBSA-N 1 2 224.304 1.705 20 0 BDADLO CC[S@@](=O)CCNc1cc[nH+]c2ccncc12 ZINC000754488024 585285307 /nfs/dbraw/zinc/28/53/07/585285307.db2.gz NXIYMBDAYGWSFS-QGZVFWFLSA-N 1 2 249.339 1.232 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCC1CCC1 ZINC000755174486 585295931 /nfs/dbraw/zinc/29/59/31/585295931.db2.gz MKQQWEBOWFZQPV-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO CCC1(C(=O)Nc2c[nH+]ccc2OC)COC1 ZINC000755254837 585296991 /nfs/dbraw/zinc/29/69/91/585296991.db2.gz OSTKCDFTTVRZJX-UHFFFAOYSA-N 1 2 236.271 1.455 20 0 BDADLO CCC1(C(=O)Nc2ccc3[nH+]ccn3c2)COC1 ZINC000755309267 585297368 /nfs/dbraw/zinc/29/73/68/585297368.db2.gz BHEQGUIEXWSXIT-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1CCC1 ZINC000755643936 585303259 /nfs/dbraw/zinc/30/32/59/585303259.db2.gz CXNNWVCPCGQWCR-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO CC1=C(C(=O)N2CC(n3cc[nH+]c3)C2)CCCO1 ZINC000755900171 585309809 /nfs/dbraw/zinc/30/98/09/585309809.db2.gz YLEMHCUWJZHPGO-UHFFFAOYSA-N 1 2 247.298 1.351 20 0 BDADLO Cc1ccc2[nH+]c(CN[C@H]3CCOC3=O)cn2c1 ZINC000756079671 585313982 /nfs/dbraw/zinc/31/39/82/585313982.db2.gz WIRMAUHAQDVCHU-NSHDSACASA-N 1 2 245.282 1.048 20 0 BDADLO CC(C)(C)OC(=O)CC[NH2+][C@@]1(C)CCOC1=O ZINC000839604492 585331677 /nfs/dbraw/zinc/33/16/77/585331677.db2.gz DHVHNXVNPWKXJE-LBPRGKRZSA-N 1 2 243.303 1.013 20 0 BDADLO CCCC[NH+](CCCC)Cn1ncn(C)c1=O ZINC000758298405 585353394 /nfs/dbraw/zinc/35/33/94/585353394.db2.gz GJFHCZJESHPNRX-UHFFFAOYSA-N 1 2 240.351 1.442 20 0 BDADLO Cc1nc(CN2CC[NH+](CCF)CC2)oc1C ZINC000759340515 585368773 /nfs/dbraw/zinc/36/87/73/585368773.db2.gz UOLAOOVSWNFWFD-UHFFFAOYSA-N 1 2 241.310 1.379 20 0 BDADLO CCCCCC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC000759367036 585371376 /nfs/dbraw/zinc/37/13/76/585371376.db2.gz ZDTRLMYSAHQSSG-LBPRGKRZSA-N 1 2 242.363 1.092 20 0 BDADLO CCCCCC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC000759367036 585371377 /nfs/dbraw/zinc/37/13/77/585371377.db2.gz ZDTRLMYSAHQSSG-LBPRGKRZSA-N 1 2 242.363 1.092 20 0 BDADLO C[N@H+](Cc1cccc(Cl)n1)[C@@H]1CCNC1=O ZINC000759426549 585372790 /nfs/dbraw/zinc/37/27/90/585372790.db2.gz WLBHGXWYWCIXBK-SECBINFHSA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1cccc(Cl)n1)[C@@H]1CCNC1=O ZINC000759426549 585372791 /nfs/dbraw/zinc/37/27/91/585372791.db2.gz WLBHGXWYWCIXBK-SECBINFHSA-N 1 2 239.706 1.055 20 0 BDADLO Cc1cccnc1C=CC(=O)NCc1c[nH+]c[nH]1 ZINC000759876109 585382063 /nfs/dbraw/zinc/38/20/63/585382063.db2.gz JAKPYOLPZWGECQ-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1cccnc1C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000759876109 585382064 /nfs/dbraw/zinc/38/20/64/585382064.db2.gz JAKPYOLPZWGECQ-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO CCONC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000759992757 585383828 /nfs/dbraw/zinc/38/38/28/585383828.db2.gz FKKUMHPXCQAMSZ-UHFFFAOYSA-N 1 2 238.291 1.529 20 0 BDADLO Cn1cccc1C[N@H+](C)Cn1cc[nH]c1=S ZINC000760401779 585391954 /nfs/dbraw/zinc/39/19/54/585391954.db2.gz MEKWDMQGILDYSK-UHFFFAOYSA-N 1 2 236.344 1.600 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cn1cc[nH]c1=S ZINC000760401779 585391955 /nfs/dbraw/zinc/39/19/55/585391955.db2.gz MEKWDMQGILDYSK-UHFFFAOYSA-N 1 2 236.344 1.600 20 0 BDADLO Cc1ncc(C[N@@H+]2CCN(C)[C@H](C)C2)s1 ZINC000761078270 585406325 /nfs/dbraw/zinc/40/63/25/585406325.db2.gz OGPDWYIGRCDURP-SECBINFHSA-N 1 2 225.361 1.587 20 0 BDADLO Cc1ncc(C[N@H+]2CCN(C)[C@H](C)C2)s1 ZINC000761078270 585406326 /nfs/dbraw/zinc/40/63/26/585406326.db2.gz OGPDWYIGRCDURP-SECBINFHSA-N 1 2 225.361 1.587 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)C1(COC)CC1 ZINC000761100677 585409318 /nfs/dbraw/zinc/40/93/18/585409318.db2.gz KDQYJVDSXALDLC-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)C1(COC)CC1 ZINC000761100677 585409319 /nfs/dbraw/zinc/40/93/19/585409319.db2.gz KDQYJVDSXALDLC-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO FCC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761108766 585409894 /nfs/dbraw/zinc/40/98/94/585409894.db2.gz CCMSRHRWWSMPIT-UHFFFAOYSA-N 1 2 220.198 1.001 20 0 BDADLO FCC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761108766 585409895 /nfs/dbraw/zinc/40/98/95/585409895.db2.gz CCMSRHRWWSMPIT-UHFFFAOYSA-N 1 2 220.198 1.001 20 0 BDADLO O=C1OCCN1CCC[N@H+]1CCC[C@H]1C(F)F ZINC000761118741 585410715 /nfs/dbraw/zinc/41/07/15/585410715.db2.gz NPMBSRGFXAKEDA-VIFPVBQESA-N 1 2 248.273 1.558 20 0 BDADLO O=C1OCCN1CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000761118741 585410716 /nfs/dbraw/zinc/41/07/16/585410716.db2.gz NPMBSRGFXAKEDA-VIFPVBQESA-N 1 2 248.273 1.558 20 0 BDADLO CC(C)CCCO[NH+]=C(N)CN1CCOCC1 ZINC000762212540 585429144 /nfs/dbraw/zinc/42/91/44/585429144.db2.gz RGPMDZLNFZEMAT-UHFFFAOYSA-N 1 2 243.351 1.253 20 0 BDADLO O=C1O[C@H](COCc2[nH]cc[nH+]2)CC12CC2 ZINC000762970234 585440469 /nfs/dbraw/zinc/44/04/69/585440469.db2.gz RTVUEQGPBOQXQU-QMMMGPOBSA-N 1 2 222.244 1.022 20 0 BDADLO O=C(Cc1cccc(F)c1)OCCn1cc[nH+]c1 ZINC000763107017 585443192 /nfs/dbraw/zinc/44/31/92/585443192.db2.gz CBVSLYWUIZBXOV-UHFFFAOYSA-N 1 2 248.257 1.808 20 0 BDADLO CNc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000763117232 585443292 /nfs/dbraw/zinc/44/32/92/585443292.db2.gz WXOXAMLVFHUCCA-UHFFFAOYSA-N 1 2 245.282 1.782 20 0 BDADLO Cc1ccc(O)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000763109597 585443434 /nfs/dbraw/zinc/44/34/34/585443434.db2.gz PZPBGTFBNMWQAN-UHFFFAOYSA-N 1 2 246.266 1.754 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000764717821 585471747 /nfs/dbraw/zinc/47/17/47/585471747.db2.gz IKPUKIDGWOHKHD-UHFFFAOYSA-N 1 2 237.690 1.788 20 0 BDADLO CC(C)C[N@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000764930701 585477611 /nfs/dbraw/zinc/47/76/11/585477611.db2.gz PEHKHOZRIFTJSJ-UHFFFAOYSA-N 1 2 248.330 1.280 20 0 BDADLO CC(C)C[N@@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000764930701 585477612 /nfs/dbraw/zinc/47/76/12/585477612.db2.gz PEHKHOZRIFTJSJ-UHFFFAOYSA-N 1 2 248.330 1.280 20 0 BDADLO C[C@H]1OCC[N@H+](CN2C(=O)CC23CCC3)[C@H]1C ZINC000765099156 585481097 /nfs/dbraw/zinc/48/10/97/585481097.db2.gz MRHSOHURGKMNIQ-WDEREUQCSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2C(=O)CC23CCC3)[C@H]1C ZINC000765099156 585481098 /nfs/dbraw/zinc/48/10/98/585481098.db2.gz MRHSOHURGKMNIQ-WDEREUQCSA-N 1 2 238.331 1.208 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]2COC(=O)C2)c(C)[nH+]1 ZINC000765506032 585488452 /nfs/dbraw/zinc/48/84/52/585488452.db2.gz YZMTVCZHDQKNDF-SNVBAGLBSA-N 1 2 248.282 1.590 20 0 BDADLO CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000766038118 585496665 /nfs/dbraw/zinc/49/66/65/585496665.db2.gz HURFQLVROWCNJG-GARJFASQSA-N 1 2 241.331 1.484 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccccn1 ZINC000805336912 585508807 /nfs/dbraw/zinc/50/88/07/585508807.db2.gz CBWVXLUAXAYJAL-UHFFFAOYSA-N 1 2 244.250 1.842 20 0 BDADLO Cc1cc(C[N@H+](C)CCC(=O)C2CC2)no1 ZINC000767350595 585516992 /nfs/dbraw/zinc/51/69/92/585516992.db2.gz LWXKQJKRZQLPKW-UHFFFAOYSA-N 1 2 222.288 1.784 20 0 BDADLO Cc1cc(C[N@@H+](C)CCC(=O)C2CC2)no1 ZINC000767350595 585516993 /nfs/dbraw/zinc/51/69/93/585516993.db2.gz LWXKQJKRZQLPKW-UHFFFAOYSA-N 1 2 222.288 1.784 20 0 BDADLO O=C(CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)C1CC1 ZINC000767348942 585517123 /nfs/dbraw/zinc/51/71/23/585517123.db2.gz KVEFIGUKQXAOAP-LBPRGKRZSA-N 1 2 247.342 1.958 20 0 BDADLO O=C(CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1)C1CC1 ZINC000767348942 585517124 /nfs/dbraw/zinc/51/71/24/585517124.db2.gz KVEFIGUKQXAOAP-LBPRGKRZSA-N 1 2 247.342 1.958 20 0 BDADLO CCC[N@H+](CCC(=O)C1CC1)CC(=O)OCC ZINC000767350364 585517305 /nfs/dbraw/zinc/51/73/05/585517305.db2.gz ICPDIDXNFNCVDU-UHFFFAOYSA-N 1 2 241.331 1.631 20 0 BDADLO CCC[N@@H+](CCC(=O)C1CC1)CC(=O)OCC ZINC000767350364 585517306 /nfs/dbraw/zinc/51/73/06/585517306.db2.gz ICPDIDXNFNCVDU-UHFFFAOYSA-N 1 2 241.331 1.631 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000768402205 585537820 /nfs/dbraw/zinc/53/78/20/585537820.db2.gz ZEEZYNBSWUMTCY-UHFFFAOYSA-N 1 2 235.283 1.322 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000768402205 585537821 /nfs/dbraw/zinc/53/78/21/585537821.db2.gz ZEEZYNBSWUMTCY-UHFFFAOYSA-N 1 2 235.283 1.322 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cccnc1 ZINC000768799933 585543721 /nfs/dbraw/zinc/54/37/21/585543721.db2.gz UTHSSYYCKUTNGB-UHFFFAOYSA-N 1 2 217.228 1.172 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)COC(C)(C)C ZINC000768936093 585546535 /nfs/dbraw/zinc/54/65/35/585546535.db2.gz ZEUPFVXNSTUNDK-MRVPVSSYSA-N 1 2 218.297 1.335 20 0 BDADLO c1ccc2c(c1)C[N@H+](Cc1cncnc1)CCO2 ZINC000768939817 585546780 /nfs/dbraw/zinc/54/67/80/585546780.db2.gz DOZSRPJUYZGCQT-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO c1ccc2c(c1)C[N@@H+](Cc1cncnc1)CCO2 ZINC000768939817 585546781 /nfs/dbraw/zinc/54/67/81/585546781.db2.gz DOZSRPJUYZGCQT-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)(F)F)[C@@H](C)C[N@@H+]1C ZINC000769145234 585550193 /nfs/dbraw/zinc/55/01/93/585550193.db2.gz MRSKCIFLQATILP-RQJHMYQMSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)(F)F)[C@@H](C)C[N@H+]1C ZINC000769145234 585550194 /nfs/dbraw/zinc/55/01/94/585550194.db2.gz MRSKCIFLQATILP-RQJHMYQMSA-N 1 2 224.226 1.100 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2c(c1)COC2 ZINC000769315543 585553609 /nfs/dbraw/zinc/55/36/09/585553609.db2.gz CJLHBYSIRBIBPE-UHFFFAOYSA-N 1 2 249.310 1.712 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2c(c1)COC2 ZINC000769315543 585553610 /nfs/dbraw/zinc/55/36/10/585553610.db2.gz CJLHBYSIRBIBPE-UHFFFAOYSA-N 1 2 249.310 1.712 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H](F)c1ccccc1 ZINC000769368506 585554757 /nfs/dbraw/zinc/55/47/57/585554757.db2.gz JZGPWUFJAQHRNS-GFCCVEGCSA-N 1 2 247.273 1.747 20 0 BDADLO CC1(O)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769447049 585556943 /nfs/dbraw/zinc/55/69/43/585556943.db2.gz QPOBSXKRWHGGPG-UHFFFAOYSA-N 1 2 236.315 1.899 20 0 BDADLO CC[C@@H](NC(=O)C1=CCCCO1)c1[nH]cc[nH+]1 ZINC000769670021 585561469 /nfs/dbraw/zinc/56/14/69/585561469.db2.gz RIFDUVKADVKVCK-SECBINFHSA-N 1 2 235.287 1.671 20 0 BDADLO CCOCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770922796 585584333 /nfs/dbraw/zinc/58/43/33/585584333.db2.gz SNMPHGGEMZDOMK-UHFFFAOYSA-N 1 2 234.255 1.414 20 0 BDADLO CCO[C@@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770923056 585584393 /nfs/dbraw/zinc/58/43/93/585584393.db2.gz XZNMGXGFJHTZHP-JTQLQIEISA-N 1 2 248.282 1.803 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(F)(F)F ZINC000771407623 585593987 /nfs/dbraw/zinc/59/39/87/585593987.db2.gz SDQUMBJJIUTJBN-BQBZGAKWSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(F)(F)F ZINC000771407623 585593988 /nfs/dbraw/zinc/59/39/88/585593988.db2.gz SDQUMBJJIUTJBN-BQBZGAKWSA-N 1 2 224.226 1.100 20 0 BDADLO COc1ccncc1CO[NH+]=C(N)[C@@H](C)OC ZINC000808258718 585598080 /nfs/dbraw/zinc/59/80/80/585598080.db2.gz WDZGDYYERSYREB-MRVPVSSYSA-N 1 2 239.275 1.124 20 0 BDADLO C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)OC(C)(C)C ZINC000771800337 585600345 /nfs/dbraw/zinc/60/03/45/585600345.db2.gz DPAWJYSBOWKATP-ONGXEEELSA-N 1 2 243.347 1.467 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](CO)C1CC1 ZINC000771804888 585600686 /nfs/dbraw/zinc/60/06/86/585600686.db2.gz SJEVBZBQYVTIFC-NWDGAFQWSA-N 1 2 243.347 1.325 20 0 BDADLO CCc1noc(C)c1C(=O)OCCn1cc[nH+]c1 ZINC000771894270 585604230 /nfs/dbraw/zinc/60/42/30/585604230.db2.gz UIYRNJFEGAPONY-UHFFFAOYSA-N 1 2 249.270 1.599 20 0 BDADLO CCOCCCC(=O)OCCn1cc[nH+]c1 ZINC000771912296 585604274 /nfs/dbraw/zinc/60/42/74/585604274.db2.gz YYGPRHJIXWWPGU-UHFFFAOYSA-N 1 2 226.276 1.243 20 0 BDADLO c1cc(C[NH+]2CCOCC2)cc2c1COC2 ZINC000771927152 585604629 /nfs/dbraw/zinc/60/46/29/585604629.db2.gz HTNUBZSJDWXUAS-UHFFFAOYSA-N 1 2 219.284 1.549 20 0 BDADLO Cc1ncc(C(=O)OCCn2cc[nH+]c2)s1 ZINC000771940489 585605319 /nfs/dbraw/zinc/60/53/19/585605319.db2.gz PHURPGXWBZHGML-UHFFFAOYSA-N 1 2 237.284 1.505 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1CC=CC1 ZINC000771975432 585605720 /nfs/dbraw/zinc/60/57/20/585605720.db2.gz DNIVWUKJLGVJDX-UHFFFAOYSA-N 1 2 206.245 1.393 20 0 BDADLO Cc1cccnc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000771975392 585605796 /nfs/dbraw/zinc/60/57/96/585605796.db2.gz CUFKONDWTKWZLP-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cccnc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000771975392 585605797 /nfs/dbraw/zinc/60/57/97/585605797.db2.gz CUFKONDWTKWZLP-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cncc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771973830 585605821 /nfs/dbraw/zinc/60/58/21/585605821.db2.gz CCMMLKBOFNCIEK-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO O=C(CCn1cccc1)OCCn1cc[nH+]c1 ZINC000771992868 585606439 /nfs/dbraw/zinc/60/64/39/585606439.db2.gz FRYCHKRYWBJGJH-UHFFFAOYSA-N 1 2 233.271 1.318 20 0 BDADLO CS/C=C\C(=O)OCCn1cc[nH+]c1 ZINC000772000779 585606612 /nfs/dbraw/zinc/60/66/12/585606612.db2.gz HTQMMBQXCBVGEX-UQCOIBPSSA-N 1 2 212.274 1.303 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1SCCS1 ZINC000772033639 585607162 /nfs/dbraw/zinc/60/71/62/585607162.db2.gz KZPBGLUYSXFUDE-UHFFFAOYSA-N 1 2 244.341 1.232 20 0 BDADLO Cc1ccc(COC(=O)c2ccnn2C)c(C)[nH+]1 ZINC000772055505 585607650 /nfs/dbraw/zinc/60/76/50/585607650.db2.gz WUOFLFRMUXDUDH-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO COCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772077433 585608195 /nfs/dbraw/zinc/60/81/95/585608195.db2.gz VWOMAFMIDIOTGP-UHFFFAOYSA-N 1 2 223.272 1.778 20 0 BDADLO Cc1ccc(COC(=O)C2(C(N)=O)CC2)c(C)[nH+]1 ZINC000772111816 585608752 /nfs/dbraw/zinc/60/87/52/585608752.db2.gz WOFNUNHSASVQSH-UHFFFAOYSA-N 1 2 248.282 1.007 20 0 BDADLO Cc1cnc(NC(=O)CCCn2cc[nH+]c2)nc1 ZINC000772289409 585611836 /nfs/dbraw/zinc/61/18/36/585611836.db2.gz DMWODKBZDJIYKP-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO CC/C=C\CCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805471564 585624084 /nfs/dbraw/zinc/62/40/84/585624084.db2.gz NYPLIBJKULKQOI-FJOGCWAESA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C\CCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805471564 585624085 /nfs/dbraw/zinc/62/40/85/585624085.db2.gz NYPLIBJKULKQOI-FJOGCWAESA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805478657 585634049 /nfs/dbraw/zinc/63/40/49/585634049.db2.gz XULWXWBGEKBFAI-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805478657 585634050 /nfs/dbraw/zinc/63/40/50/585634050.db2.gz XULWXWBGEKBFAI-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1ccc(C[NH+]2CC(O)(C(C)C)C2)c(C)n1 ZINC000773891275 585645932 /nfs/dbraw/zinc/64/59/32/585645932.db2.gz STQOUZSLJXQPNP-UHFFFAOYSA-N 1 2 234.343 1.901 20 0 BDADLO COC[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774087568 585650107 /nfs/dbraw/zinc/65/01/07/585650107.db2.gz VEAMZOLTLFCLFD-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO COC[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000774087568 585650108 /nfs/dbraw/zinc/65/01/08/585650108.db2.gz VEAMZOLTLFCLFD-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cn1cc[nH]c1=S ZINC000774647292 585662675 /nfs/dbraw/zinc/66/26/75/585662675.db2.gz FIASMOLSQSKQBB-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cn1cc[nH]c1=S ZINC000774647292 585662676 /nfs/dbraw/zinc/66/26/76/585662676.db2.gz FIASMOLSQSKQBB-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO CN(C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000774806464 585666439 /nfs/dbraw/zinc/66/64/39/585666439.db2.gz QZBVCGHCDRPSCH-UHFFFAOYSA-N 1 2 248.330 1.640 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1(C)COC1 ZINC000805526604 585667918 /nfs/dbraw/zinc/66/79/18/585667918.db2.gz KDDAYHKETCFEFO-UHFFFAOYSA-N 1 2 237.255 1.170 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(C)(C)C ZINC000775057212 585671373 /nfs/dbraw/zinc/67/13/73/585671373.db2.gz LHXXHCAZORHNDH-WDEREUQCSA-N 1 2 241.331 1.856 20 0 BDADLO Cn1nccc1CO[NH+]=C(N)Cc1ccccc1 ZINC000775325520 585675745 /nfs/dbraw/zinc/67/57/45/585675745.db2.gz VTPYQJDGUTZCJO-UHFFFAOYSA-N 1 2 244.298 1.661 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000775599575 585681373 /nfs/dbraw/zinc/68/13/73/585681373.db2.gz ZMUVSWYJAMLJHC-SNVBAGLBSA-N 1 2 249.314 1.436 20 0 BDADLO COCC1(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000777035375 585707276 /nfs/dbraw/zinc/70/72/76/585707276.db2.gz VXJNJYINCZRBMP-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO Cc1nonc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777454167 585712477 /nfs/dbraw/zinc/71/24/77/585712477.db2.gz UTYNJCGHGWNQHY-QMMMGPOBSA-N 1 2 247.258 1.078 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)C1 ZINC000777966539 585724704 /nfs/dbraw/zinc/72/47/04/585724704.db2.gz NEOWLXNSFKJNIO-MXWKQRLJSA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)C1 ZINC000777966539 585724705 /nfs/dbraw/zinc/72/47/05/585724705.db2.gz NEOWLXNSFKJNIO-MXWKQRLJSA-N 1 2 228.311 1.492 20 0 BDADLO FCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000778210068 585727471 /nfs/dbraw/zinc/72/74/71/585727471.db2.gz DCODBXIHIQGGLA-UHFFFAOYSA-N 1 2 238.310 1.379 20 0 BDADLO Cn1c2ccccc2n(C[N@H+]2CC=CCC2)c1=O ZINC000778576205 585737579 /nfs/dbraw/zinc/73/75/79/585737579.db2.gz HXTBSNYMKZXXKS-UHFFFAOYSA-N 1 2 243.310 1.559 20 0 BDADLO Cn1c2ccccc2n(C[N@@H+]2CC=CCC2)c1=O ZINC000778576205 585737580 /nfs/dbraw/zinc/73/75/80/585737580.db2.gz HXTBSNYMKZXXKS-UHFFFAOYSA-N 1 2 243.310 1.559 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CC=CCC1 ZINC000778969432 585743001 /nfs/dbraw/zinc/74/30/01/585743001.db2.gz SMYFQQQEUJIUGP-NSHDSACASA-N 1 2 211.305 1.980 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CC=CCC1 ZINC000778969432 585743002 /nfs/dbraw/zinc/74/30/02/585743002.db2.gz SMYFQQQEUJIUGP-NSHDSACASA-N 1 2 211.305 1.980 20 0 BDADLO CC(C)S(=O)(=O)CC[N@H+]1CC=CCC1 ZINC000778970633 585743399 /nfs/dbraw/zinc/74/33/99/585743399.db2.gz DVOKIUJDJBBEAN-UHFFFAOYSA-N 1 2 217.334 1.072 20 0 BDADLO CC(C)S(=O)(=O)CC[N@@H+]1CC=CCC1 ZINC000778970633 585743400 /nfs/dbraw/zinc/74/34/00/585743400.db2.gz DVOKIUJDJBBEAN-UHFFFAOYSA-N 1 2 217.334 1.072 20 0 BDADLO C/C(=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094875 585745128 /nfs/dbraw/zinc/74/51/28/585745128.db2.gz FUYUJQGJSNGYPB-OANVXVOSSA-N 1 2 245.326 1.670 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(F)nc1 ZINC000779158140 585746513 /nfs/dbraw/zinc/74/65/13/585746513.db2.gz ZOUJIKHQPRMPIS-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(F)nc1 ZINC000779158140 585746514 /nfs/dbraw/zinc/74/65/14/585746514.db2.gz ZOUJIKHQPRMPIS-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc2c(c1)CCO2 ZINC000779422106 585754646 /nfs/dbraw/zinc/75/46/46/585754646.db2.gz WUFGGALNEDGPFT-SECBINFHSA-N 1 2 207.273 1.804 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc(OCCO)cc1 ZINC000779424069 585754823 /nfs/dbraw/zinc/75/48/23/585754823.db2.gz YGJDPNBWUMOSDG-JTQLQIEISA-N 1 2 225.288 1.241 20 0 BDADLO CC[C@@H]1C[C@H](C(=O)NC2=[NH+]CCS2)CCO1 ZINC000779785937 585763235 /nfs/dbraw/zinc/76/32/35/585763235.db2.gz WVWMRRHVZQQVOP-RKDXNWHRSA-N 1 2 242.344 1.411 20 0 BDADLO c1ccc(-c2nnc(C[NH2+]C3CSC3)[nH]2)cc1 ZINC000780882934 585785796 /nfs/dbraw/zinc/78/57/96/585785796.db2.gz QEGIDPCKMFAOJL-UHFFFAOYSA-N 1 2 246.339 1.677 20 0 BDADLO c1ccc(-c2n[nH]c(C[NH2+]C3CSC3)n2)cc1 ZINC000780882934 585785797 /nfs/dbraw/zinc/78/57/97/585785797.db2.gz QEGIDPCKMFAOJL-UHFFFAOYSA-N 1 2 246.339 1.677 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)CCCOC1 ZINC000781462901 585796400 /nfs/dbraw/zinc/79/64/00/585796400.db2.gz OTVJQWYECYFQIB-GFCCVEGCSA-N 1 2 238.287 1.280 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000781605567 585800226 /nfs/dbraw/zinc/80/02/26/585800226.db2.gz DYPCSWXVIXBYDW-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OC[C@H](C)OC ZINC000782313560 585814820 /nfs/dbraw/zinc/81/48/20/585814820.db2.gz OEKNTAJMPNCYDI-VIFPVBQESA-N 1 2 238.287 1.623 20 0 BDADLO CO[C@H](C)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000782333916 585815232 /nfs/dbraw/zinc/81/52/32/585815232.db2.gz DQWWFNNSSARHIO-SECBINFHSA-N 1 2 234.255 1.526 20 0 BDADLO CO[C@@H](C)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000782333917 585815331 /nfs/dbraw/zinc/81/53/31/585815331.db2.gz DQWWFNNSSARHIO-VIFPVBQESA-N 1 2 234.255 1.526 20 0 BDADLO CO[C@H](C)CCC(=O)OCc1c[nH+]cn1C ZINC000782609498 585822076 /nfs/dbraw/zinc/82/20/76/585822076.db2.gz UFAKCBDJJXSXKZ-SECBINFHSA-N 1 2 226.276 1.278 20 0 BDADLO CS/C=C\C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782726307 585824201 /nfs/dbraw/zinc/82/42/01/585824201.db2.gz ITLFBKBYVUZPDH-UTCJRWHESA-N 1 2 237.328 1.410 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)F)CC2 ZINC000782727016 585824309 /nfs/dbraw/zinc/82/43/09/585824309.db2.gz PRBQCFAPTWHJRV-UHFFFAOYSA-N 1 2 225.267 1.282 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCCS1 ZINC000783228002 585831401 /nfs/dbraw/zinc/83/14/01/585831401.db2.gz WCPPTDYOFAYYMQ-JTQLQIEISA-N 1 2 240.328 1.712 20 0 BDADLO CCOCCC(=O)OCCCn1cc[nH+]c1 ZINC000783442266 585835089 /nfs/dbraw/zinc/83/50/89/585835089.db2.gz UEWZBVJMRKMIDG-UHFFFAOYSA-N 1 2 226.276 1.243 20 0 BDADLO COC[C@H](C)C[NH2+]c1ccc(OCCO)cc1 ZINC000783585165 585837484 /nfs/dbraw/zinc/83/74/84/585837484.db2.gz PVOAPIKNDDYSCB-LLVKDONJSA-N 1 2 239.315 1.752 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccs1 ZINC000783734030 585841287 /nfs/dbraw/zinc/84/12/87/585841287.db2.gz QFMFRJOFOIHPIO-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccs1 ZINC000783734030 585841288 /nfs/dbraw/zinc/84/12/88/585841288.db2.gz QFMFRJOFOIHPIO-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H](C(=O)OCCCn1cc[nH+]c1)C1CC1 ZINC000783983128 585846430 /nfs/dbraw/zinc/84/64/30/585846430.db2.gz YXSWCDAZOSOXEY-JTQLQIEISA-N 1 2 222.288 1.863 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C1CC1 ZINC000784055465 585848115 /nfs/dbraw/zinc/84/81/15/585848115.db2.gz RJCSKDUTXONKAT-VXGBXAGGSA-N 1 2 234.299 1.863 20 0 BDADLO C[C@]1(C(=O)OCCCn2cc[nH+]c2)CCCO1 ZINC000784084528 585848963 /nfs/dbraw/zinc/84/89/63/585848963.db2.gz LOCPROPJIRTOBV-GFCCVEGCSA-N 1 2 238.287 1.386 20 0 BDADLO CC(C)[C@H](F)C(=O)OCCn1cc[nH+]c1 ZINC000784304097 585854750 /nfs/dbraw/zinc/85/47/50/585854750.db2.gz JXQQXPPAVPMVIB-VIFPVBQESA-N 1 2 214.240 1.420 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000784346517 585856428 /nfs/dbraw/zinc/85/64/28/585856428.db2.gz IPBXFUFHELDOQG-UWVGGRQHSA-N 1 2 227.283 1.382 20 0 BDADLO CC(C)[C@H](F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000784365466 585857290 /nfs/dbraw/zinc/85/72/90/585857290.db2.gz KYSYJAMPJYHQNU-NSHDSACASA-N 1 2 228.311 1.287 20 0 BDADLO CC(C)c1nnc2n1CC[N@@H+](CCF)[C@@H]2C ZINC000784377922 585857488 /nfs/dbraw/zinc/85/74/88/585857488.db2.gz CTHXFAPRJCSMPY-SECBINFHSA-N 1 2 226.299 1.748 20 0 BDADLO CC(C)c1nnc2n1CC[N@H+](CCF)[C@@H]2C ZINC000784377922 585857489 /nfs/dbraw/zinc/85/74/89/585857489.db2.gz CTHXFAPRJCSMPY-SECBINFHSA-N 1 2 226.299 1.748 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000784438477 585859600 /nfs/dbraw/zinc/85/96/00/585859600.db2.gz FJGKKHMVPMVQCH-GFCCVEGCSA-N 1 2 249.289 1.945 20 0 BDADLO CC(C)[C@H](F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000784445399 585859872 /nfs/dbraw/zinc/85/98/72/585859872.db2.gz KDTRBZLAFWNBJZ-NSHDSACASA-N 1 2 241.310 1.726 20 0 BDADLO CC(C)[C@@](C)(O)C(=O)OCCCn1cc[nH+]c1 ZINC000784771601 585866143 /nfs/dbraw/zinc/86/61/43/585866143.db2.gz QAWSDMSXLHGHKW-GFCCVEGCSA-N 1 2 240.303 1.223 20 0 BDADLO CC(C)[C@H](F)C(=O)NCCNc1cccc[nH+]1 ZINC000784771265 585866289 /nfs/dbraw/zinc/86/62/89/585866289.db2.gz XKFRFMGQOKKYNN-NSHDSACASA-N 1 2 239.294 1.604 20 0 BDADLO C/C=C(\C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785421640 585872997 /nfs/dbraw/zinc/87/29/97/585872997.db2.gz PSIXTYGXLMOOET-VGANXODHSA-N 1 2 207.277 1.943 20 0 BDADLO CC=C(C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785421640 585872998 /nfs/dbraw/zinc/87/29/98/585872998.db2.gz PSIXTYGXLMOOET-VGANXODHSA-N 1 2 207.277 1.943 20 0 BDADLO NC(Cc1cccs1)=[NH+]OCCC1(O)CC1 ZINC000785518115 585875166 /nfs/dbraw/zinc/87/51/66/585875166.db2.gz OLASUHYFLJWLKQ-UHFFFAOYSA-N 1 2 240.328 1.704 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccc(F)nc1 ZINC000785628479 585876704 /nfs/dbraw/zinc/87/67/04/585876704.db2.gz CHRORRMLKXTOEG-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO CC(=O)[C@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785742864 585879211 /nfs/dbraw/zinc/87/92/11/585879211.db2.gz PHYBRPNUOMZKAS-NGZCFLSTSA-N 1 2 227.304 1.380 20 0 BDADLO CC(=O)[C@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785742864 585879212 /nfs/dbraw/zinc/87/92/12/585879212.db2.gz PHYBRPNUOMZKAS-NGZCFLSTSA-N 1 2 227.304 1.380 20 0 BDADLO Cc1ccc2[nH+]c(COC(=O)C3COC3)cn2c1 ZINC000785773449 585880438 /nfs/dbraw/zinc/88/04/38/585880438.db2.gz OLCFTAOEEHZCEA-UHFFFAOYSA-N 1 2 246.266 1.332 20 0 BDADLO CCc1cc(N2CC[C@@H](C(=O)OC)[C@@H]2C)nc[nH+]1 ZINC000786815313 585897627 /nfs/dbraw/zinc/89/76/27/585897627.db2.gz RILQGSWSMODLRV-GXSJLCMTSA-N 1 2 249.314 1.427 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCC=CO1 ZINC000787034718 585900070 /nfs/dbraw/zinc/90/00/70/585900070.db2.gz MTIJDBHDCSFTTL-NSHDSACASA-N 1 2 236.271 1.509 20 0 BDADLO Cc1cn2cc(NC(=O)C(F)F)ccc2[nH+]1 ZINC000787290162 585905200 /nfs/dbraw/zinc/90/52/00/585905200.db2.gz MIDIOEGOZNVKCC-UHFFFAOYSA-N 1 2 225.198 1.846 20 0 BDADLO Cc1ncc(C(=O)OCc2cc[nH+]c(N)c2)s1 ZINC000787607533 585912853 /nfs/dbraw/zinc/91/28/53/585912853.db2.gz PZQSIUQNZKXGEI-UHFFFAOYSA-N 1 2 249.295 1.786 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(F)nc1 ZINC000788669299 585928601 /nfs/dbraw/zinc/92/86/01/585928601.db2.gz UXVSITLVAJDOGU-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(F)nc1 ZINC000788669299 585928602 /nfs/dbraw/zinc/92/86/02/585928602.db2.gz UXVSITLVAJDOGU-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000788779225 585930340 /nfs/dbraw/zinc/93/03/40/585930340.db2.gz QYDMQMAEBOSMDL-ZFSPTPKQSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000788779225 585930341 /nfs/dbraw/zinc/93/03/41/585930341.db2.gz QYDMQMAEBOSMDL-ZFSPTPKQSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=S)NC1(C)CC1 ZINC000789187242 585936513 /nfs/dbraw/zinc/93/65/13/585936513.db2.gz CXOXGRRTYCXZCY-SECBINFHSA-N 1 2 238.360 1.288 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000789562416 585944074 /nfs/dbraw/zinc/94/40/74/585944074.db2.gz AJPLKBUCCFWDFN-STQMWFEESA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccoc1 ZINC000789562416 585944075 /nfs/dbraw/zinc/94/40/75/585944075.db2.gz AJPLKBUCCFWDFN-STQMWFEESA-N 1 2 249.310 1.850 20 0 BDADLO CCOC1CC([NH2+][C@@H](C)C(=O)OCC(C)C)C1 ZINC000789576196 585944302 /nfs/dbraw/zinc/94/43/02/585944302.db2.gz CKWBNKIWNAIOQL-UNXYVOJBSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cncnc2)nc1 ZINC000789588899 585944781 /nfs/dbraw/zinc/94/47/81/585944781.db2.gz IFMQZOHJRCLZBZ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cncnc2)nc1 ZINC000789588899 585944782 /nfs/dbraw/zinc/94/47/82/585944782.db2.gz IFMQZOHJRCLZBZ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO NC(=[NH+]OCC[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000789607807 585945333 /nfs/dbraw/zinc/94/53/33/585945333.db2.gz IDVLBIULHUASQJ-ZJUUUORDSA-N 1 2 228.292 1.233 20 0 BDADLO CC(C)SCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789612981 585946655 /nfs/dbraw/zinc/94/66/55/585946655.db2.gz RZCLHROEVOQXRO-SECBINFHSA-N 1 2 232.349 1.805 20 0 BDADLO COCCCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613827 585946845 /nfs/dbraw/zinc/94/68/45/585946845.db2.gz WHQVLYFAKBUALN-SNVBAGLBSA-N 1 2 230.308 1.481 20 0 BDADLO CCOC(CO[NH+]=C(N)[C@H]1CCCO1)OCC ZINC000789613947 585946889 /nfs/dbraw/zinc/94/68/89/585946889.db2.gz YWOYGFWBLMGVJR-SECBINFHSA-N 1 2 246.307 1.063 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000789772358 585949628 /nfs/dbraw/zinc/94/96/28/585949628.db2.gz MXMACOKEJHZLLX-WCBMZHEXSA-N 1 2 208.261 1.162 20 0 BDADLO CC(C)=CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790136195 585958562 /nfs/dbraw/zinc/95/85/62/585958562.db2.gz ORKTVTRUVSNRCL-GFCCVEGCSA-N 1 2 240.347 1.132 20 0 BDADLO Cc1ccc[nH+]c1NNC1=CC(=O)CN1 ZINC000790185209 585960205 /nfs/dbraw/zinc/96/02/05/585960205.db2.gz DPBDEWPJZNNBTI-UHFFFAOYSA-N 1 2 204.233 1.161 20 0 BDADLO C[C@@H]([NH2+]Cc1ccoc1)c1nnnn1C1CC1 ZINC000791010284 585972091 /nfs/dbraw/zinc/97/20/91/585972091.db2.gz WCWDXINJUAFBEW-MRVPVSSYSA-N 1 2 233.275 1.452 20 0 BDADLO COC1(CC(=O)OCCn2cc[nH+]c2)CCC1 ZINC000791514138 585983056 /nfs/dbraw/zinc/98/30/56/585983056.db2.gz GLOUGIROASCSNZ-UHFFFAOYSA-N 1 2 238.287 1.386 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)ncn1 ZINC000792203292 585997723 /nfs/dbraw/zinc/99/77/23/585997723.db2.gz WAPXUQXJELTGKN-UHFFFAOYSA-N 1 2 244.254 1.119 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCCc1c[nH+]cn1C ZINC000793236725 586014793 /nfs/dbraw/zinc/01/47/93/586014793.db2.gz DDHJCYWTCAUEGR-SNVBAGLBSA-N 1 2 228.267 1.500 20 0 BDADLO CCO[C@H](CC)C(=O)OCCc1c[nH+]cn1C ZINC000793249776 586015009 /nfs/dbraw/zinc/01/50/09/586015009.db2.gz BYYCKDZJGCYWNK-LLVKDONJSA-N 1 2 240.303 1.321 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CCC(F)F ZINC000793253498 586015029 /nfs/dbraw/zinc/01/50/29/586015029.db2.gz RCWQGLOIJWBOSI-UHFFFAOYSA-N 1 2 232.230 1.551 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC=CO1 ZINC000793559941 586022917 /nfs/dbraw/zinc/02/29/17/586022917.db2.gz HWBUQDKCIIRDBU-SKDRFNHKSA-N 1 2 247.298 1.076 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC=CO1 ZINC000793559941 586022918 /nfs/dbraw/zinc/02/29/18/586022918.db2.gz HWBUQDKCIIRDBU-SKDRFNHKSA-N 1 2 247.298 1.076 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793885907 586028497 /nfs/dbraw/zinc/02/84/97/586028497.db2.gz GENVAQOVKKPUHE-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793885907 586028498 /nfs/dbraw/zinc/02/84/98/586028498.db2.gz GENVAQOVKKPUHE-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOCC[C@@H]2C)[nH]1 ZINC000794466896 586040411 /nfs/dbraw/zinc/04/04/11/586040411.db2.gz WONBJVCIRQWWKJ-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOCC[C@@H]2C)[nH]1 ZINC000794466896 586040412 /nfs/dbraw/zinc/04/04/12/586040412.db2.gz WONBJVCIRQWWKJ-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO NC(Cc1cccc(F)c1)=[NH+]O[C@@H]1CCOC1 ZINC000794519130 586041579 /nfs/dbraw/zinc/04/15/79/586041579.db2.gz AZEABXYUSWJMTK-LLVKDONJSA-N 1 2 238.262 1.656 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OC[C@@H]1CCCO1 ZINC000794521795 586041781 /nfs/dbraw/zinc/04/17/81/586041781.db2.gz HEGULWLABWCDGC-NSHDSACASA-N 1 2 235.287 1.302 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000794949779 586057356 /nfs/dbraw/zinc/05/73/56/586057356.db2.gz SMDZVGPGIIFGEB-CMPLNLGQSA-N 1 2 221.304 1.119 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000794949779 586057357 /nfs/dbraw/zinc/05/73/57/586057357.db2.gz SMDZVGPGIIFGEB-CMPLNLGQSA-N 1 2 221.304 1.119 20 0 BDADLO CC(C)=CC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795654928 586089980 /nfs/dbraw/zinc/08/99/80/586089980.db2.gz UFZNUPYRODLDBH-SNVBAGLBSA-N 1 2 211.305 1.979 20 0 BDADLO CC(C)COCC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795662615 586090552 /nfs/dbraw/zinc/09/05/52/586090552.db2.gz UWZKPHHYTASFIX-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)COCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795662615 586090553 /nfs/dbraw/zinc/09/05/53/586090553.db2.gz UWZKPHHYTASFIX-NSHDSACASA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)C(=O)CC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795676556 586090936 /nfs/dbraw/zinc/09/09/36/586090936.db2.gz NJHATKIDFJMSPI-JTQLQIEISA-N 1 2 241.331 1.628 20 0 BDADLO CC(C)C(=O)CC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795676556 586090937 /nfs/dbraw/zinc/09/09/37/586090937.db2.gz NJHATKIDFJMSPI-JTQLQIEISA-N 1 2 241.331 1.628 20 0 BDADLO C[N@H+](CCc1ccccn1)[C@@H]1CC(C)(C)OC1=O ZINC000795683227 586091018 /nfs/dbraw/zinc/09/10/18/586091018.db2.gz LKECWBWLXWCQJU-GFCCVEGCSA-N 1 2 248.326 1.650 20 0 BDADLO C[N@@H+](CCc1ccccn1)[C@@H]1CC(C)(C)OC1=O ZINC000795683227 586091019 /nfs/dbraw/zinc/09/10/19/586091019.db2.gz LKECWBWLXWCQJU-GFCCVEGCSA-N 1 2 248.326 1.650 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000796254961 586099720 /nfs/dbraw/zinc/09/97/20/586099720.db2.gz MCUQVRSDINKALE-PWSUYJOCSA-N 1 2 234.299 1.566 20 0 BDADLO CCC(=O)CC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000796378070 586102124 /nfs/dbraw/zinc/10/21/24/586102124.db2.gz SDDXGMKJHCPFIH-KANYHAFZSA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000796378070 586102125 /nfs/dbraw/zinc/10/21/25/586102125.db2.gz SDDXGMKJHCPFIH-KANYHAFZSA-N 1 2 245.388 1.587 20 0 BDADLO CO[C@H](C)C[N@H+](C)CC(=O)OCC(C)C ZINC000796641587 586109052 /nfs/dbraw/zinc/10/90/52/586109052.db2.gz SVONIJICFLADDL-SNVBAGLBSA-N 1 2 217.309 1.152 20 0 BDADLO CO[C@H](C)C[N@@H+](C)CC(=O)OCC(C)C ZINC000796641587 586109053 /nfs/dbraw/zinc/10/90/53/586109053.db2.gz SVONIJICFLADDL-SNVBAGLBSA-N 1 2 217.309 1.152 20 0 BDADLO CCc1occc1C(=O)OCCn1cc[nH+]c1 ZINC000797487655 586127899 /nfs/dbraw/zinc/12/78/99/586127899.db2.gz PSRLRQVRWBPUSV-UHFFFAOYSA-N 1 2 234.255 1.896 20 0 BDADLO C[C@@H](C(=O)Oc1ccc2c(c1)CC(=O)N2)[NH+](C)C ZINC000797766307 586131022 /nfs/dbraw/zinc/13/10/22/586131022.db2.gz ZYSWGLGNDLIBQX-QMMMGPOBSA-N 1 2 248.282 1.037 20 0 BDADLO COC(=O)c1cc(CN(C)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000798182254 586138742 /nfs/dbraw/zinc/13/87/42/586138742.db2.gz DHUMGXWAXZVPAG-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC[S@@](C)=O ZINC000798194256 586139626 /nfs/dbraw/zinc/13/96/26/586139626.db2.gz YMQISYLNEHROFB-MEBBXXQBSA-N 1 2 226.345 1.243 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC[S@@](C)=O ZINC000798194256 586139627 /nfs/dbraw/zinc/13/96/27/586139627.db2.gz YMQISYLNEHROFB-MEBBXXQBSA-N 1 2 226.345 1.243 20 0 BDADLO C/C=C\C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000798639167 586147271 /nfs/dbraw/zinc/14/72/71/586147271.db2.gz MHPUGPWLFBTMNP-ARJAWSKDSA-N 1 2 245.326 1.615 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197457 586167106 /nfs/dbraw/zinc/16/71/06/586167106.db2.gz XWXHWNUDNUZALK-JQWIXIFHSA-N 1 2 232.283 1.186 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197457 586167108 /nfs/dbraw/zinc/16/71/08/586167108.db2.gz XWXHWNUDNUZALK-JQWIXIFHSA-N 1 2 232.283 1.186 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1Cl ZINC000859351692 589033481 /nfs/dbraw/zinc/03/34/81/589033481.db2.gz ICJOSYCVCBXADR-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1Cl ZINC000859351692 589033483 /nfs/dbraw/zinc/03/34/83/589033483.db2.gz ICJOSYCVCBXADR-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO CSCC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000800315204 586211533 /nfs/dbraw/zinc/21/15/33/586211533.db2.gz UXNSWMCLSMBURG-UHFFFAOYSA-N 1 2 242.344 1.816 20 0 BDADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000839899360 586213589 /nfs/dbraw/zinc/21/35/89/586213589.db2.gz MBWXPQLCEGEBGF-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000839899360 586213590 /nfs/dbraw/zinc/21/35/90/586213590.db2.gz MBWXPQLCEGEBGF-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000839899360 586213591 /nfs/dbraw/zinc/21/35/91/586213591.db2.gz MBWXPQLCEGEBGF-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000839899360 586213592 /nfs/dbraw/zinc/21/35/92/586213592.db2.gz MBWXPQLCEGEBGF-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC(=O)CCC(=O)OCc1cccc2[nH+]ccn21 ZINC000800398738 586217222 /nfs/dbraw/zinc/21/72/22/586217222.db2.gz AVIYQFYVHINEHW-UHFFFAOYSA-N 1 2 246.266 1.747 20 0 BDADLO Cn1c[nH+]c(C=Cc2nccc(=O)[nH]2)c1 ZINC000800794857 586229099 /nfs/dbraw/zinc/22/90/99/586229099.db2.gz RWVVRVIMCPUUGF-IHWYPQMZSA-N 1 2 202.217 1.086 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCSC(C)C ZINC000800868755 586235135 /nfs/dbraw/zinc/23/51/35/586235135.db2.gz XSIRIXGUSHNDJC-MRVPVSSYSA-N 1 2 220.338 1.661 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCc2ccccn2)CCO1 ZINC000801564673 586263807 /nfs/dbraw/zinc/26/38/07/586263807.db2.gz RKRPMUXSJRDOAX-NSHDSACASA-N 1 2 242.269 1.590 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCc2ccccn2)CCO1 ZINC000801564673 586263808 /nfs/dbraw/zinc/26/38/08/586263808.db2.gz RKRPMUXSJRDOAX-NSHDSACASA-N 1 2 242.269 1.590 20 0 BDADLO CC(C)(C)SCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000801948236 586282144 /nfs/dbraw/zinc/28/21/44/586282144.db2.gz SUEJVHFDTJMWDU-UHFFFAOYSA-N 1 2 240.376 1.695 20 0 BDADLO CC(C)(C)SCC[N@H+]1CCc2n[nH]nc2C1 ZINC000801948236 586282146 /nfs/dbraw/zinc/28/21/46/586282146.db2.gz SUEJVHFDTJMWDU-UHFFFAOYSA-N 1 2 240.376 1.695 20 0 BDADLO CC[C@@](C)(OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802232901 586297392 /nfs/dbraw/zinc/29/73/92/586297392.db2.gz LQIPVWDWYVPQCW-ZYHUDNBSSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@](C)(OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802232901 586297394 /nfs/dbraw/zinc/29/73/94/586297394.db2.gz LQIPVWDWYVPQCW-ZYHUDNBSSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@H](C)OCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802232905 586297434 /nfs/dbraw/zinc/29/74/34/586297434.db2.gz LTUQVNZLUPOCGR-MNOVXSKESA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@H](C)OCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802232905 586297436 /nfs/dbraw/zinc/29/74/36/586297436.db2.gz LTUQVNZLUPOCGR-MNOVXSKESA-N 1 2 247.310 1.389 20 0 BDADLO CSC[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239967 586298884 /nfs/dbraw/zinc/29/88/84/586298884.db2.gz SPYVMLKSRICHLA-VHSXEESVSA-N 1 2 249.351 1.573 20 0 BDADLO CSC[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239967 586298886 /nfs/dbraw/zinc/29/88/86/586298886.db2.gz SPYVMLKSRICHLA-VHSXEESVSA-N 1 2 249.351 1.573 20 0 BDADLO CCCCOCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240144 586299245 /nfs/dbraw/zinc/29/92/45/586299245.db2.gz UVBIQYKRRNPQRI-NSHDSACASA-N 1 2 247.310 1.390 20 0 BDADLO CCCCOCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240144 586299247 /nfs/dbraw/zinc/29/92/47/586299247.db2.gz UVBIQYKRRNPQRI-NSHDSACASA-N 1 2 247.310 1.390 20 0 BDADLO CC[C@H](SC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241291 586299294 /nfs/dbraw/zinc/29/92/94/586299294.db2.gz ZGMGCGBFPVWXCG-ZJUUUORDSA-N 1 2 249.351 1.715 20 0 BDADLO CC[C@H](SC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241291 586299295 /nfs/dbraw/zinc/29/92/95/586299295.db2.gz ZGMGCGBFPVWXCG-ZJUUUORDSA-N 1 2 249.351 1.715 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000839964691 586304565 /nfs/dbraw/zinc/30/45/65/586304565.db2.gz RFVSFLCKVPTJMP-GHMZBOCLSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000839964691 586304567 /nfs/dbraw/zinc/30/45/67/586304567.db2.gz RFVSFLCKVPTJMP-GHMZBOCLSA-N 1 2 240.347 1.169 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)o1 ZINC000802656714 586307117 /nfs/dbraw/zinc/30/71/17/586307117.db2.gz PSHFBMQEYBYNHZ-BETUJISGSA-N 1 2 237.299 1.496 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)o1 ZINC000802656714 586307120 /nfs/dbraw/zinc/30/71/20/586307120.db2.gz PSHFBMQEYBYNHZ-BETUJISGSA-N 1 2 237.299 1.496 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000802661013 586309171 /nfs/dbraw/zinc/30/91/71/586309171.db2.gz DIISWEGBUWWVGW-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000802661013 586309173 /nfs/dbraw/zinc/30/91/73/586309173.db2.gz DIISWEGBUWWVGW-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO CCC/C=C\C(=O)OC1C[NH+](CCOCC)C1 ZINC000802772161 586313137 /nfs/dbraw/zinc/31/31/37/586313137.db2.gz ZZJSVUCZASQCOQ-SREVYHEPSA-N 1 2 241.331 1.607 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@@H](C)C(C)C)C1 ZINC000802775073 586313326 /nfs/dbraw/zinc/31/33/26/586313326.db2.gz FYJWDJMDRFWNFO-NSHDSACASA-N 1 2 243.347 1.542 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)/C=C/SC)C1 ZINC000802775410 586313438 /nfs/dbraw/zinc/31/34/38/586313438.db2.gz SHSSBMFQPJJBJY-QPJJXVBHSA-N 1 2 245.344 1.127 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)Cc1ccoc1 ZINC000802787290 586313943 /nfs/dbraw/zinc/31/39/43/586313943.db2.gz DVHQOHRRLVPNQD-UHFFFAOYSA-N 1 2 248.282 1.732 20 0 BDADLO Cc1ncoc1C(=O)OCCCc1[nH+]ccn1C ZINC000802785284 586314063 /nfs/dbraw/zinc/31/40/63/586314063.db2.gz MVAFOINJDYAUHN-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO COCCCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000803346394 586345983 /nfs/dbraw/zinc/34/59/83/586345983.db2.gz SZAVGNYEFWHNLS-UHFFFAOYSA-N 1 2 248.282 1.918 20 0 BDADLO C[C@@H]1C[C@H]1COC(=O)CCc1ccc(N)[nH+]c1 ZINC000859610479 589048763 /nfs/dbraw/zinc/04/87/63/589048763.db2.gz RMHZRHUWXCBYGY-KOLCDFICSA-N 1 2 234.299 1.796 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000840034444 586386224 /nfs/dbraw/zinc/38/62/24/586386224.db2.gz BZBBCVNSMILKDT-LLVKDONJSA-N 1 2 238.331 1.067 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CCOC3(CCC3)C2)C1=O ZINC000840034444 586386226 /nfs/dbraw/zinc/38/62/26/586386226.db2.gz BZBBCVNSMILKDT-LLVKDONJSA-N 1 2 238.331 1.067 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[C@H]21 ZINC000804289475 586387258 /nfs/dbraw/zinc/38/72/58/586387258.db2.gz AYXFCOKYCLFTJW-GXSJLCMTSA-N 1 2 219.288 1.272 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804333915 586391237 /nfs/dbraw/zinc/39/12/37/586391237.db2.gz SKASQOSEDBMMHR-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804333917 586391736 /nfs/dbraw/zinc/39/17/36/586391736.db2.gz SKASQOSEDBMMHR-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO C/C=C(\C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804337332 586392254 /nfs/dbraw/zinc/39/22/54/586392254.db2.gz YGOPQTSMEVMOGA-RZCNENHTSA-N 1 2 219.288 1.280 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(F)(F)F)[C@@H](C)C1 ZINC000804381118 586394452 /nfs/dbraw/zinc/39/44/52/586394452.db2.gz KSXONOHQYLFHLP-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(F)(F)F)[C@@H](C)C1 ZINC000804381118 586394455 /nfs/dbraw/zinc/39/44/55/586394455.db2.gz KSXONOHQYLFHLP-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO Fc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000859641446 589051340 /nfs/dbraw/zinc/05/13/40/589051340.db2.gz LXWJIQPRTMEESO-NWDGAFQWSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000859641446 589051341 /nfs/dbraw/zinc/05/13/41/589051341.db2.gz LXWJIQPRTMEESO-NWDGAFQWSA-N 1 2 236.290 1.974 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1cccc(F)n1 ZINC000807129046 586423707 /nfs/dbraw/zinc/42/37/07/586423707.db2.gz AEHKREANWUAWGD-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO COC[C@@H]1CC[N@@H+]1CN1C[C@H](C(C)C)CC1=O ZINC000840084642 586423711 /nfs/dbraw/zinc/42/37/11/586423711.db2.gz VIODZRAPHPTZBQ-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@@H]1CC[N@H+]1CN1C[C@H](C(C)C)CC1=O ZINC000840084642 586423712 /nfs/dbraw/zinc/42/37/12/586423712.db2.gz VIODZRAPHPTZBQ-NEPJUHHUSA-N 1 2 240.347 1.169 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)OCC(C)C)n1 ZINC000843145879 586445801 /nfs/dbraw/zinc/44/58/01/586445801.db2.gz ZTVVLVCTYNHTOO-VIFPVBQESA-N 1 2 227.308 1.913 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2CC[C@@H](F)C2)C[C@H]1C ZINC000840102531 586446535 /nfs/dbraw/zinc/44/65/35/586446535.db2.gz NLIUQXGELDJVPG-OPRDCNLKSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2CC[C@@H](F)C2)C[C@H]1C ZINC000840102531 586446536 /nfs/dbraw/zinc/44/65/36/586446536.db2.gz NLIUQXGELDJVPG-OPRDCNLKSA-N 1 2 214.284 1.102 20 0 BDADLO CC1(C)CCN(C[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000840102527 586446541 /nfs/dbraw/zinc/44/65/41/586446541.db2.gz NJEWCIJZRBRFBI-SECBINFHSA-N 1 2 214.284 1.246 20 0 BDADLO CC1(C)CCN(C[N@H+]2CC[C@@H](F)C2)C1=O ZINC000840102527 586446542 /nfs/dbraw/zinc/44/65/42/586446542.db2.gz NJEWCIJZRBRFBI-SECBINFHSA-N 1 2 214.284 1.246 20 0 BDADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@H+]1CC[C@H](F)C1 ZINC000840102637 586446828 /nfs/dbraw/zinc/44/68/28/586446828.db2.gz YJUJOAZGHAXSGF-GARJFASQSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@@H+]1CC[C@H](F)C1 ZINC000840102637 586446829 /nfs/dbraw/zinc/44/68/29/586446829.db2.gz YJUJOAZGHAXSGF-GARJFASQSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@H]2CCC[C@@H]2CN1C[N@H+]1CC[C@@H](F)C1 ZINC000840115258 586448817 /nfs/dbraw/zinc/44/88/17/586448817.db2.gz YJUJOAZGHAXSGF-MXWKQRLJSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@H]2CCC[C@@H]2CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000840115258 586448819 /nfs/dbraw/zinc/44/88/19/586448819.db2.gz YJUJOAZGHAXSGF-MXWKQRLJSA-N 1 2 226.295 1.246 20 0 BDADLO C[C@H]1CC[N@H+](CN2CC(C)(C)CC2=O)C[C@@H]1F ZINC000808176248 586466705 /nfs/dbraw/zinc/46/67/05/586466705.db2.gz CDNMSIOOXHWQBS-QWRGUYRKSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CC(C)(C)CC2=O)C[C@@H]1F ZINC000808176248 586466706 /nfs/dbraw/zinc/46/67/06/586466706.db2.gz CDNMSIOOXHWQBS-QWRGUYRKSA-N 1 2 242.338 1.882 20 0 BDADLO COc1ccc(NCc2cn(C)c[nH+]2)c(C)n1 ZINC000808399758 586471033 /nfs/dbraw/zinc/47/10/33/586471033.db2.gz RLJDPMQKKCGESD-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C)cn1)CO2 ZINC000808395889 586471341 /nfs/dbraw/zinc/47/13/41/586471341.db2.gz QNQBPARUJATAEV-ZDUSSCGKSA-N 1 2 243.310 1.952 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)co1 ZINC000809686411 586513053 /nfs/dbraw/zinc/51/30/53/586513053.db2.gz ALQZSZQUTPSVOZ-CYBMUJFWSA-N 1 2 237.299 1.661 20 0 BDADLO c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)co1 ZINC000809686411 586513055 /nfs/dbraw/zinc/51/30/55/586513055.db2.gz ALQZSZQUTPSVOZ-CYBMUJFWSA-N 1 2 237.299 1.661 20 0 BDADLO COCc1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000809744147 586516320 /nfs/dbraw/zinc/51/63/20/586516320.db2.gz XFQWKBKIFOYCOP-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CCC(C)(C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000809850344 586521502 /nfs/dbraw/zinc/52/15/02/586521502.db2.gz BQGIESLSOVPUAO-UHFFFAOYSA-N 1 2 238.335 1.750 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CCC1(F)F ZINC000810045212 586532473 /nfs/dbraw/zinc/53/24/73/586532473.db2.gz HPKFIVVQQKZMIH-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CCC1(F)F ZINC000810045212 586532474 /nfs/dbraw/zinc/53/24/74/586532474.db2.gz HPKFIVVQQKZMIH-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000810115232 586533437 /nfs/dbraw/zinc/53/34/37/586533437.db2.gz FZVYSSSRLCEBFH-PWSUYJOCSA-N 1 2 243.347 1.469 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000810115938 586534906 /nfs/dbraw/zinc/53/49/06/586534906.db2.gz RLWZCSFXCBAFKE-GFCCVEGCSA-N 1 2 243.347 1.326 20 0 BDADLO CC(=O)O[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000810740919 586545852 /nfs/dbraw/zinc/54/58/52/586545852.db2.gz RLENUOJSVZWQOH-NSHDSACASA-N 1 2 235.287 1.004 20 0 BDADLO CC(=O)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000810740919 586545853 /nfs/dbraw/zinc/54/58/53/586545853.db2.gz RLENUOJSVZWQOH-NSHDSACASA-N 1 2 235.287 1.004 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1(CCF)CC1 ZINC000810754223 586546340 /nfs/dbraw/zinc/54/63/40/586546340.db2.gz UKANSBDAMUJLTP-JTQLQIEISA-N 1 2 247.285 1.713 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1(CCF)CC1 ZINC000810754223 586546341 /nfs/dbraw/zinc/54/63/41/586546341.db2.gz UKANSBDAMUJLTP-JTQLQIEISA-N 1 2 247.285 1.713 20 0 BDADLO Nc1cc(COC(=O)C2(CCF)CC2)cc[nH+]1 ZINC000811338400 586558369 /nfs/dbraw/zinc/55/83/69/586558369.db2.gz RSAOTXLTSRXHMF-UHFFFAOYSA-N 1 2 238.262 1.847 20 0 BDADLO CCN(CC(=O)NC)c1cc[nH+]c2ccncc21 ZINC000811809549 586567104 /nfs/dbraw/zinc/56/71/04/586567104.db2.gz IGQMXSMEBKADPC-UHFFFAOYSA-N 1 2 244.298 1.202 20 0 BDADLO CS/C=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000811934037 586568942 /nfs/dbraw/zinc/56/89/42/586568942.db2.gz QDJPVPAGRYAHRE-GORDUTHDSA-N 1 2 223.301 1.102 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCCC1CC1 ZINC000812547864 586579022 /nfs/dbraw/zinc/57/90/22/586579022.db2.gz DQHZQPOUBLGBMV-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO OCC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000840268909 586586972 /nfs/dbraw/zinc/58/69/72/586586972.db2.gz VXAWWCCKYSENGF-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO OCC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000840268909 586586973 /nfs/dbraw/zinc/58/69/73/586586973.db2.gz VXAWWCCKYSENGF-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO CCCCCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842660806 586589113 /nfs/dbraw/zinc/58/91/13/586589113.db2.gz KRUQHVPUSDVUMW-LLVKDONJSA-N 1 2 244.335 1.728 20 0 BDADLO Cc1nn(C)cc1CNc1cc(N(C)C)nc[nH+]1 ZINC000813355071 586601050 /nfs/dbraw/zinc/60/10/50/586601050.db2.gz XGFGFFZYKKQIQT-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO Cc1nn(C)cc1CNc1cc(N(C)C)[nH+]cn1 ZINC000813355071 586601051 /nfs/dbraw/zinc/60/10/51/586601051.db2.gz XGFGFFZYKKQIQT-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cnn(C)n1)CO2 ZINC000815129802 586668592 /nfs/dbraw/zinc/66/85/92/586668592.db2.gz YHUKGDSQPULMTL-GFCCVEGCSA-N 1 2 244.298 1.347 20 0 BDADLO CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@H]1C ZINC000815164518 586672391 /nfs/dbraw/zinc/67/23/91/586672391.db2.gz XPOQTCUAXNICFT-NXEZZACHSA-N 1 2 219.350 1.151 20 0 BDADLO CCCS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@H]1C ZINC000815164518 586672392 /nfs/dbraw/zinc/67/23/92/586672392.db2.gz XPOQTCUAXNICFT-NXEZZACHSA-N 1 2 219.350 1.151 20 0 BDADLO C[C@H](C(=O)OCc1c[nH+]cn1C)C(C)(F)F ZINC000815967716 586700347 /nfs/dbraw/zinc/70/03/47/586700347.db2.gz KDQAWFDQKSYOEV-SSDOTTSWSA-N 1 2 232.230 1.755 20 0 BDADLO CCOCC[N@H+](C)Cc1cnn(C)c1Cl ZINC000816565446 586741184 /nfs/dbraw/zinc/74/11/84/586741184.db2.gz PAWQFLRTKVIJQI-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCOCC[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816565446 586741186 /nfs/dbraw/zinc/74/11/86/586741186.db2.gz PAWQFLRTKVIJQI-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO Cn1ncc(C[N@H+](C)[C@@H]2CCCOC2)c1Cl ZINC000816607708 586744037 /nfs/dbraw/zinc/74/40/37/586744037.db2.gz CKRRAUDBYSUSIP-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(C[N@@H+](C)[C@@H]2CCCOC2)c1Cl ZINC000816607708 586744039 /nfs/dbraw/zinc/74/40/39/586744039.db2.gz CKRRAUDBYSUSIP-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO CCOC(=O)[C@H](F)C1C[NH+](CC2(F)CC2)C1 ZINC000816634806 586746393 /nfs/dbraw/zinc/74/63/93/586746393.db2.gz SSSCYKNNNRTKJV-SECBINFHSA-N 1 2 233.258 1.322 20 0 BDADLO CC(C)OCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000816651292 586752982 /nfs/dbraw/zinc/75/29/82/586752982.db2.gz BQLFRGXZNPOCMW-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CC(C)OCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000816651292 586752984 /nfs/dbraw/zinc/75/29/84/586752984.db2.gz BQLFRGXZNPOCMW-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO CN(Cc1ccco1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816810601 586765559 /nfs/dbraw/zinc/76/55/59/586765559.db2.gz SGLSYBJAGWEBPL-UHFFFAOYSA-N 1 2 219.244 1.204 20 0 BDADLO CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816840235 586767514 /nfs/dbraw/zinc/76/75/14/586767514.db2.gz HDFAPHYIXGDIRE-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO COc1cc(F)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816857399 586768268 /nfs/dbraw/zinc/76/82/68/586768268.db2.gz GNTFRIVBOYEONA-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO Cc1ccc(O)c(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816896339 586769899 /nfs/dbraw/zinc/76/98/99/586769899.db2.gz HJEINQGCMADIOF-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816910156 586770715 /nfs/dbraw/zinc/77/07/15/586770715.db2.gz VSQDSOCPZFWCEI-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H](Cc1cccs1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816917360 586771316 /nfs/dbraw/zinc/77/13/16/586771316.db2.gz LFUUDMSIFISTKU-SECBINFHSA-N 1 2 249.339 1.761 20 0 BDADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000816944474 586772808 /nfs/dbraw/zinc/77/28/08/586772808.db2.gz BZWHJNJDOIWLLV-UHFFFAOYSA-N 1 2 239.344 1.306 20 0 BDADLO CC[C@@]1(C)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816939724 586772833 /nfs/dbraw/zinc/77/28/33/586772833.db2.gz MAHUWBDLMRCJBE-ZDUSSCGKSA-N 1 2 235.331 1.991 20 0 BDADLO CCONC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817152741 586784525 /nfs/dbraw/zinc/78/45/25/586784525.db2.gz LYUJUQSVMIZOEM-UHFFFAOYSA-N 1 2 223.276 1.449 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@]1(C)CC1(F)F ZINC000817250993 586791049 /nfs/dbraw/zinc/79/10/49/586791049.db2.gz OBBXRHQESQKBHW-JTQLQIEISA-N 1 2 244.241 1.551 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@@H]2CC23CC3)C1 ZINC000817730699 586822096 /nfs/dbraw/zinc/82/20/96/586822096.db2.gz MPWOMYSNKWUCGJ-NSHDSACASA-N 1 2 239.315 1.050 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2cnccn2)n1 ZINC000818116654 586874993 /nfs/dbraw/zinc/87/49/93/586874993.db2.gz OBYIIJSAHHODNU-SECBINFHSA-N 1 2 246.318 1.247 20 0 BDADLO CCn1nc(C)c(CNCc2[nH+]ccn2CC)n1 ZINC000818219997 586880093 /nfs/dbraw/zinc/88/00/93/586880093.db2.gz FEKUKKUFQXHTBE-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cccn2C)n1 ZINC000818221093 586880202 /nfs/dbraw/zinc/88/02/02/586880202.db2.gz OHDMTFMZUXTGFJ-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000818957160 586917204 /nfs/dbraw/zinc/91/72/04/586917204.db2.gz RHHWKRWYXXZQOD-CYBMUJFWSA-N 1 2 249.289 1.680 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@@H]1CCCO1 ZINC000819283402 586947534 /nfs/dbraw/zinc/94/75/34/586947534.db2.gz JYNXTSUXFHVIHR-FYJFLYSWSA-N 1 2 246.310 1.740 20 0 BDADLO CCc1nc(C[NH2+]C[C@@H](O)C(F)(F)F)co1 ZINC000819354891 586956519 /nfs/dbraw/zinc/95/65/19/586956519.db2.gz UHQYIWANLQDSOF-SSDOTTSWSA-N 1 2 238.209 1.250 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000840381233 586956657 /nfs/dbraw/zinc/95/66/57/586956657.db2.gz HMPUEGMGJKATHU-IUCAKERBSA-N 1 2 234.303 1.426 20 0 BDADLO CC(C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819759381 586988129 /nfs/dbraw/zinc/98/81/29/586988129.db2.gz GRAUSFACEPYTRN-ZETCQYMHSA-N 1 2 200.307 1.640 20 0 BDADLO CCC(=CC(=O)NCc1c[nH+]c(C)nc1N)CC ZINC000819761567 586990778 /nfs/dbraw/zinc/99/07/78/586990778.db2.gz VGPFQJIFSILHST-UHFFFAOYSA-N 1 2 248.330 1.730 20 0 BDADLO COCCC(C)(C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775923 586992308 /nfs/dbraw/zinc/99/23/08/586992308.db2.gz KWHWKJCEZSYDGM-QMMMGPOBSA-N 1 2 244.360 1.657 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000820077533 587018432 /nfs/dbraw/zinc/01/84/32/587018432.db2.gz CPBSLPSBOBAVPV-OPRDCNLKSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000820077533 587018435 /nfs/dbraw/zinc/01/84/35/587018435.db2.gz CPBSLPSBOBAVPV-OPRDCNLKSA-N 1 2 226.320 1.064 20 0 BDADLO CC(C)OC1(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000820164266 587030324 /nfs/dbraw/zinc/03/03/24/587030324.db2.gz CCKRREYLCHGEHU-UHFFFAOYSA-N 1 2 237.303 1.374 20 0 BDADLO CC(C)OC1(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000820164266 587030327 /nfs/dbraw/zinc/03/03/27/587030327.db2.gz CCKRREYLCHGEHU-UHFFFAOYSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@@H](NC(=O)c1cc(C=O)n(C)c1)c1[nH]cc[nH+]1 ZINC000820191876 587033517 /nfs/dbraw/zinc/03/35/17/587033517.db2.gz SUROPFVYTONPTM-MRVPVSSYSA-N 1 2 246.270 1.052 20 0 BDADLO C[C@H]1Cc2ccccc2N1C(=O)Cc1[nH]cc[nH+]1 ZINC000820383379 587045252 /nfs/dbraw/zinc/04/52/52/587045252.db2.gz MVGZGVHLQNJZRZ-JTQLQIEISA-N 1 2 241.294 1.930 20 0 BDADLO C[C@@H](CF)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820430031 587048550 /nfs/dbraw/zinc/04/85/50/587048550.db2.gz YOQWFFBTXLPUFY-ZETCQYMHSA-N 1 2 221.235 1.651 20 0 BDADLO CCN(c1cc[nH+]cc1)S(=O)(=O)C1CCC1 ZINC000820794158 587072637 /nfs/dbraw/zinc/07/26/37/587072637.db2.gz QUTKTEHRHRXFPV-UHFFFAOYSA-N 1 2 240.328 1.790 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c32)C=CCC1 ZINC000820947447 587083640 /nfs/dbraw/zinc/08/36/40/587083640.db2.gz CSYKTAAHWQFFHP-GWCFXTLKSA-N 1 2 231.299 1.800 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821332047 587108216 /nfs/dbraw/zinc/10/82/16/587108216.db2.gz JDKKAEKXWHNMKW-DGCLKSJQSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821332047 587108218 /nfs/dbraw/zinc/10/82/18/587108218.db2.gz JDKKAEKXWHNMKW-DGCLKSJQSA-N 1 2 246.310 1.577 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@]12C[C@H]1CCC2 ZINC000821384766 587114933 /nfs/dbraw/zinc/11/49/33/587114933.db2.gz BULWFXMXTSWNIQ-GBIKHYSHSA-N 1 2 231.299 1.114 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)C(C)(C)C ZINC000821571349 587129512 /nfs/dbraw/zinc/12/95/12/587129512.db2.gz KTLGGPOYCMKJJM-UHFFFAOYSA-N 1 2 216.306 1.133 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821787332 587138067 /nfs/dbraw/zinc/13/80/67/587138067.db2.gz SLJKXETYUSCXAG-QCLAVDOMSA-N 1 2 235.287 1.040 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000822276169 587160441 /nfs/dbraw/zinc/16/04/41/587160441.db2.gz GHBANWPXYJMSIK-KOLCDFICSA-N 1 2 235.331 1.819 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000822277576 587160709 /nfs/dbraw/zinc/16/07/09/587160709.db2.gz RUNRXZQTRNTHBG-LMLFDSFASA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000822277576 587160710 /nfs/dbraw/zinc/16/07/10/587160710.db2.gz RUNRXZQTRNTHBG-LMLFDSFASA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)O1 ZINC000822337423 587163101 /nfs/dbraw/zinc/16/31/01/587163101.db2.gz HHZBQGPNZWJEJQ-QQHVKIJGSA-N 1 2 249.314 1.117 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(C)CC=CC2)c1 ZINC000822365201 587164289 /nfs/dbraw/zinc/16/42/89/587164289.db2.gz QDSIRXKGRVOKSK-UHFFFAOYSA-N 1 2 233.315 1.435 20 0 BDADLO CCC[C@H](C)c1noc([C@@H]([NH3+])COC)n1 ZINC000822770472 587185138 /nfs/dbraw/zinc/18/51/38/587185138.db2.gz DSNZOCSZTLLMQE-YUMQZZPRSA-N 1 2 213.281 1.619 20 0 BDADLO CCc1cc(NC(=O)C=Cc2cn(C)c[nH+]2)n[nH]1 ZINC000822971249 587196411 /nfs/dbraw/zinc/19/64/11/587196411.db2.gz AXODRWSCTKYWEU-PLNGDYQASA-N 1 2 245.286 1.358 20 0 BDADLO O=C1O[C@@H](C[N@@H+]2Cc3cccnc3C2)CC12CC2 ZINC000822997162 587197174 /nfs/dbraw/zinc/19/71/74/587197174.db2.gz UQMTXSYTGFCVAD-LLVKDONJSA-N 1 2 244.294 1.493 20 0 BDADLO O=C1O[C@@H](C[N@H+]2Cc3cccnc3C2)CC12CC2 ZINC000822997162 587197176 /nfs/dbraw/zinc/19/71/76/587197176.db2.gz UQMTXSYTGFCVAD-LLVKDONJSA-N 1 2 244.294 1.493 20 0 BDADLO CC/C(C)=C/C(=O)N(C)CC[NH+]1CCOCC1 ZINC000823019774 587198083 /nfs/dbraw/zinc/19/80/83/587198083.db2.gz AIFXAOLDRANDLV-VAWYXSNFSA-N 1 2 240.347 1.133 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cc(C)oc2C)no1 ZINC000823110382 587203413 /nfs/dbraw/zinc/20/34/13/587203413.db2.gz SFEBGPFISIYTGZ-VIFPVBQESA-N 1 2 237.259 1.593 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000823113444 587203848 /nfs/dbraw/zinc/20/38/48/587203848.db2.gz YEVNHYOCWYSLBB-LMMOQWNQSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000823113444 587203849 /nfs/dbraw/zinc/20/38/49/587203849.db2.gz YEVNHYOCWYSLBB-LMMOQWNQSA-N 1 2 240.347 1.180 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC3(CC3)C2)[nH+]1 ZINC000823243779 587210984 /nfs/dbraw/zinc/21/09/84/587210984.db2.gz ZOMCLUDDDXIFCM-UHFFFAOYSA-N 1 2 219.288 1.137 20 0 BDADLO CCC[C@H](CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000823345822 587217194 /nfs/dbraw/zinc/21/71/94/587217194.db2.gz BFVPQTGKZJDNIV-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO C[C@H]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000823347218 587217272 /nfs/dbraw/zinc/21/72/72/587217272.db2.gz HDBSLDMQHFLLFK-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000823458609 587223292 /nfs/dbraw/zinc/22/32/92/587223292.db2.gz ARQJBLQJDGUQEN-JTQLQIEISA-N 1 2 238.335 1.075 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000823458609 587223294 /nfs/dbraw/zinc/22/32/94/587223294.db2.gz ARQJBLQJDGUQEN-JTQLQIEISA-N 1 2 238.335 1.075 20 0 BDADLO CC(C)[C@@H](C)N(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823523303 587229240 /nfs/dbraw/zinc/22/92/40/587229240.db2.gz CPCCULTYCFINQG-SNVBAGLBSA-N 1 2 235.331 1.988 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@]12C[C@H]1CCC2 ZINC000823625898 587233295 /nfs/dbraw/zinc/23/32/95/587233295.db2.gz CNFAYOMTIMLLBG-UHIISALHSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@@H]1CCn2cc[nH+]c21 ZINC000823656016 587234633 /nfs/dbraw/zinc/23/46/33/587234633.db2.gz WRLLTAICLRHNIB-BDAKNGLRSA-N 1 2 232.287 1.180 20 0 BDADLO CCn1ncc(C(=O)Nc2c(C)cc[nH+]c2C)n1 ZINC000823836334 587242374 /nfs/dbraw/zinc/24/23/74/587242374.db2.gz JCYNYTWDSYKSSD-UHFFFAOYSA-N 1 2 245.286 1.562 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C(C)(C)C ZINC000824082047 587253972 /nfs/dbraw/zinc/25/39/72/587253972.db2.gz ARWZCEOLJALBEL-VQCYPWCPSA-N 1 2 235.331 1.984 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824272371 587264087 /nfs/dbraw/zinc/26/40/87/587264087.db2.gz VZVWEZJOJCVTNM-CBAPKCEASA-N 1 2 244.697 1.829 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccnc(Cl)c1F ZINC000824272371 587264088 /nfs/dbraw/zinc/26/40/88/587264088.db2.gz VZVWEZJOJCVTNM-CBAPKCEASA-N 1 2 244.697 1.829 20 0 BDADLO CC(C)(C)n1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000824356410 587267456 /nfs/dbraw/zinc/26/74/56/587267456.db2.gz PRCFHTLWSHDJIA-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(C3CC3)C2)n1 ZINC000824424105 587269949 /nfs/dbraw/zinc/26/99/49/587269949.db2.gz XSCNGEKAFYVYQB-UHFFFAOYSA-N 1 2 220.320 1.448 20 0 BDADLO Cn1ncc(C[NH+]2CC3(CC3)C2)c1Cl ZINC000824534045 587274169 /nfs/dbraw/zinc/27/41/69/587274169.db2.gz YHNWIDHHPDWLRS-UHFFFAOYSA-N 1 2 211.696 1.669 20 0 BDADLO Cc1cnc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc1C ZINC000824629765 587280168 /nfs/dbraw/zinc/28/01/68/587280168.db2.gz XUCWMPPIDXLXKF-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO Cc1cnc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc1C ZINC000824629765 587280170 /nfs/dbraw/zinc/28/01/70/587280170.db2.gz XUCWMPPIDXLXKF-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO CC(C)CN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000825043233 587300187 /nfs/dbraw/zinc/30/01/87/587300187.db2.gz DJIWAYKVYUHTBS-UHFFFAOYSA-N 1 2 223.320 1.845 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCCC(C)(C)F)c1 ZINC000825257598 587311174 /nfs/dbraw/zinc/31/11/74/587311174.db2.gz IHYBLFQDKZSEFK-SNAWJCMRSA-N 1 2 239.294 1.688 20 0 BDADLO CCCN(CC)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825307546 587313872 /nfs/dbraw/zinc/31/38/72/587313872.db2.gz DQITXCISHVNSJI-UHFFFAOYSA-N 1 2 246.318 1.806 20 0 BDADLO CCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825486191 587320872 /nfs/dbraw/zinc/32/08/72/587320872.db2.gz NVRWDHDBSUMFIX-UHFFFAOYSA-N 1 2 204.237 1.002 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC=CC1 ZINC000825513862 587322634 /nfs/dbraw/zinc/32/26/34/587322634.db2.gz WWKJEVREPSRNAP-SNVBAGLBSA-N 1 2 231.299 1.800 20 0 BDADLO Cc1ccc(-c2nn[nH]n2)c(NCC2(C)CC2)[nH+]1 ZINC000826276091 587351652 /nfs/dbraw/zinc/35/16/52/587351652.db2.gz UQLNHPWOGBMCQT-UHFFFAOYSA-N 1 2 244.302 1.782 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826312083 587352161 /nfs/dbraw/zinc/35/21/61/587352161.db2.gz VQPKRKVMUMRDAY-JGVFFNPUSA-N 1 2 230.275 1.390 20 0 BDADLO Cc1cc[nH+]c(N(C)C(C)C)c1-c1nn[nH]n1 ZINC000826309097 587352475 /nfs/dbraw/zinc/35/24/75/587352475.db2.gz DDYBPPVCEQHDPJ-UHFFFAOYSA-N 1 2 232.291 1.415 20 0 BDADLO CCC(CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000826554808 587354956 /nfs/dbraw/zinc/35/49/56/587354956.db2.gz NSURIOBMIBAQPD-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000826572706 587355368 /nfs/dbraw/zinc/35/53/68/587355368.db2.gz RUBYQGMTPUNWOH-RKDXNWHRSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000826572698 587355394 /nfs/dbraw/zinc/35/53/94/587355394.db2.gz RUBYQGMTPUNWOH-BDAKNGLRSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@@](C)(O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000826600866 587356402 /nfs/dbraw/zinc/35/64/02/587356402.db2.gz YZUCQDRDHARSBW-CYBMUJFWSA-N 1 2 247.298 1.742 20 0 BDADLO CCn1nccc1C[N@H+](CCF)CCOC ZINC000827053680 587369169 /nfs/dbraw/zinc/36/91/69/587369169.db2.gz FHEYYEVTJPIAOV-UHFFFAOYSA-N 1 2 229.299 1.321 20 0 BDADLO CCn1nccc1C[N@@H+](CCF)CCOC ZINC000827053680 587369170 /nfs/dbraw/zinc/36/91/70/587369170.db2.gz FHEYYEVTJPIAOV-UHFFFAOYSA-N 1 2 229.299 1.321 20 0 BDADLO CCCn1cc(C[N@H+](CCF)CCOC)cn1 ZINC000827054283 587369312 /nfs/dbraw/zinc/36/93/12/587369312.db2.gz PBWMBANYJQVXSP-UHFFFAOYSA-N 1 2 243.326 1.711 20 0 BDADLO CCCn1cc(C[N@@H+](CCF)CCOC)cn1 ZINC000827054283 587369313 /nfs/dbraw/zinc/36/93/13/587369313.db2.gz PBWMBANYJQVXSP-UHFFFAOYSA-N 1 2 243.326 1.711 20 0 BDADLO CCC(C)(CC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000827602734 587392046 /nfs/dbraw/zinc/39/20/46/587392046.db2.gz UBOQZOCLNRHDNN-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CSCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000828213539 587423893 /nfs/dbraw/zinc/42/38/93/587423893.db2.gz MKUAVJWITQMYLP-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO CCCONC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000828337981 587436707 /nfs/dbraw/zinc/43/67/07/587436707.db2.gz BMFSQXQAWWKJLP-SECBINFHSA-N 1 2 240.307 1.605 20 0 BDADLO CC1(C)CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000828413354 587440865 /nfs/dbraw/zinc/44/08/65/587440865.db2.gz RRDOONHHMVZTGM-SECBINFHSA-N 1 2 233.315 1.526 20 0 BDADLO CC1(C)CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000828413354 587440867 /nfs/dbraw/zinc/44/08/67/587440867.db2.gz RRDOONHHMVZTGM-SECBINFHSA-N 1 2 233.315 1.526 20 0 BDADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000828529272 587447926 /nfs/dbraw/zinc/44/79/26/587447926.db2.gz JTLGMMQYPINYSC-LURJTMIESA-N 1 2 237.250 1.922 20 0 BDADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000828529272 587447927 /nfs/dbraw/zinc/44/79/27/587447927.db2.gz JTLGMMQYPINYSC-LURJTMIESA-N 1 2 237.250 1.922 20 0 BDADLO C[C@@H]1CCC[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828643650 587455005 /nfs/dbraw/zinc/45/50/05/587455005.db2.gz ZEPZOKDLOPLQMX-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO CC(=O)[C@@H](OC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC000829065292 587481666 /nfs/dbraw/zinc/48/16/66/587481666.db2.gz WTNAZFVKVBIWEJ-NEPJUHHUSA-N 1 2 243.347 1.729 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829110934 587483571 /nfs/dbraw/zinc/48/35/71/587483571.db2.gz IPQQWGCGCUVVLY-ZJUUUORDSA-N 1 2 245.326 1.830 20 0 BDADLO CCOCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829125917 587483878 /nfs/dbraw/zinc/48/38/78/587483878.db2.gz SOXOFISJIGPEMM-UHFFFAOYSA-N 1 2 241.722 1.525 20 0 BDADLO CCOCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829125917 587483880 /nfs/dbraw/zinc/48/38/80/587483880.db2.gz SOXOFISJIGPEMM-UHFFFAOYSA-N 1 2 241.722 1.525 20 0 BDADLO CCC1(CC)[C@H]([NH2+]Cc2c[nH]nn2)C[C@H]1OC ZINC000829218765 587488877 /nfs/dbraw/zinc/48/88/77/587488877.db2.gz HVBKMBOMJLHJET-GHMZBOCLSA-N 1 2 238.335 1.488 20 0 BDADLO CCC1(CC)[C@H]([NH2+]Cc2cn[nH]n2)C[C@H]1OC ZINC000829218765 587488878 /nfs/dbraw/zinc/48/88/78/587488878.db2.gz HVBKMBOMJLHJET-GHMZBOCLSA-N 1 2 238.335 1.488 20 0 BDADLO CC(C)CC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829471883 587499375 /nfs/dbraw/zinc/49/93/75/587499375.db2.gz ISEPUFDXRGVXSV-UHFFFAOYSA-N 1 2 236.319 1.313 20 0 BDADLO CC(C)CC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829471883 587499376 /nfs/dbraw/zinc/49/93/76/587499376.db2.gz ISEPUFDXRGVXSV-UHFFFAOYSA-N 1 2 236.319 1.313 20 0 BDADLO CCCCCCNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000830461996 587551943 /nfs/dbraw/zinc/55/19/43/587551943.db2.gz KVHHNKSZFOMHNP-LLVKDONJSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCCNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000830461996 587551945 /nfs/dbraw/zinc/55/19/45/587551945.db2.gz KVHHNKSZFOMHNP-LLVKDONJSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000830657686 587562762 /nfs/dbraw/zinc/56/27/62/587562762.db2.gz FYQWTVRSTDPHSP-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CCC(F)(F)CC1 ZINC000831414000 587604634 /nfs/dbraw/zinc/60/46/34/587604634.db2.gz NVOYQZBCKFTTFS-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO CCCONC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000831480593 587612730 /nfs/dbraw/zinc/61/27/30/587612730.db2.gz GCHGCUXFANXTJI-UHFFFAOYSA-N 1 2 234.259 1.797 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758998 587630350 /nfs/dbraw/zinc/63/03/50/587630350.db2.gz GYMONBJZYLMULR-RQJHMYQMSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758998 587630352 /nfs/dbraw/zinc/63/03/52/587630352.db2.gz GYMONBJZYLMULR-RQJHMYQMSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@H]2CCCC[C@@H]12 ZINC000831966281 587639903 /nfs/dbraw/zinc/63/99/03/587639903.db2.gz MHHOSTBNQDWSQG-WOPDTQHZSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1csc(Cl)n1 ZINC000832226824 587651532 /nfs/dbraw/zinc/65/15/32/587651532.db2.gz ZDRVCQQPNKANBD-HTRCEHHLSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1csc(Cl)n1 ZINC000832226824 587651533 /nfs/dbraw/zinc/65/15/33/587651533.db2.gz ZDRVCQQPNKANBD-HTRCEHHLSA-N 1 2 232.736 1.752 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CCC2(CC2)CC1 ZINC000834469088 587755982 /nfs/dbraw/zinc/75/59/82/587755982.db2.gz MPOPIBLTILFLJT-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CC(C)N(CC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000834543257 587759187 /nfs/dbraw/zinc/75/91/87/587759187.db2.gz OANSOJIUVGZBSW-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCS[C@@H](C)C2)c[nH+]1 ZINC000834669749 587763650 /nfs/dbraw/zinc/76/36/50/587763650.db2.gz CHOPDQVJDNLWOD-CBAPKCEASA-N 1 2 239.344 1.732 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836298938 587830154 /nfs/dbraw/zinc/83/01/54/587830154.db2.gz MFJDYRSJENYHAU-VHSXEESVSA-N 1 2 248.330 1.673 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000836375381 587832026 /nfs/dbraw/zinc/83/20/26/587832026.db2.gz XJFVHEFODMTDLO-KOLCDFICSA-N 1 2 248.330 1.816 20 0 BDADLO CC1=CCCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836524833 587834586 /nfs/dbraw/zinc/83/45/86/587834586.db2.gz SVYYZNMHHUBVCS-NSHDSACASA-N 1 2 246.314 1.690 20 0 BDADLO COC/C=C/C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000867179034 587834773 /nfs/dbraw/zinc/83/47/73/587834773.db2.gz ASDMECUFQUPSJM-RXNUUUNCSA-N 1 2 235.287 1.276 20 0 BDADLO Cc1conc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000867179457 587834897 /nfs/dbraw/zinc/83/48/97/587834897.db2.gz BMPYXXCIWXTZHP-SECBINFHSA-N 1 2 246.270 1.683 20 0 BDADLO CC[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)O ZINC000836863030 587840139 /nfs/dbraw/zinc/84/01/39/587840139.db2.gz PVVSEFUBJBJFCW-ZJUUUORDSA-N 1 2 247.298 1.224 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836951443 587843388 /nfs/dbraw/zinc/84/33/88/587843388.db2.gz AZMTYKUMUUWTGY-BBBLOLIVSA-N 1 2 239.294 1.999 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2cnsn2)c2[nH+]ccn21 ZINC000836953912 587843832 /nfs/dbraw/zinc/84/38/32/587843832.db2.gz JEVINYYXZHVJKX-NKWVEPMBSA-N 1 2 249.299 1.170 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CC2(F)F)cc[nH+]1 ZINC000837980720 587907510 /nfs/dbraw/zinc/90/75/10/587907510.db2.gz MXTBRQJPDYGINF-SSDOTTSWSA-N 1 2 228.198 1.362 20 0 BDADLO C/C=C(\C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840526082 587909811 /nfs/dbraw/zinc/90/98/11/587909811.db2.gz OAYJGKYVJVWOQY-VZUCSPMQSA-N 1 2 240.347 1.180 20 0 BDADLO O[C@H](Cn1cc[nH+]c1-c1ccncc1)C1CC1 ZINC000840748502 587919456 /nfs/dbraw/zinc/91/94/56/587919456.db2.gz JSEUGRPACJWQQN-GFCCVEGCSA-N 1 2 229.283 1.716 20 0 BDADLO CC[C@H]1CC[N@@H+]1CN1CC(F)(F)CC1=O ZINC000841681304 587971858 /nfs/dbraw/zinc/97/18/58/587971858.db2.gz BVSBZDSCPTZIAR-QMMMGPOBSA-N 1 2 218.247 1.296 20 0 BDADLO CC[C@H]1CC[N@H+]1CN1CC(F)(F)CC1=O ZINC000841681304 587971860 /nfs/dbraw/zinc/97/18/60/587971860.db2.gz BVSBZDSCPTZIAR-QMMMGPOBSA-N 1 2 218.247 1.296 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000842019225 587989477 /nfs/dbraw/zinc/98/94/77/587989477.db2.gz JGRYITARGOJDLM-QMMMGPOBSA-N 1 2 242.706 1.957 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)COC(C)C)OC ZINC000842025812 587989952 /nfs/dbraw/zinc/98/99/52/587989952.db2.gz UNKLILZUCQHGAE-VIFPVBQESA-N 1 2 218.297 1.335 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)Cc1cccs1 ZINC000842028908 587990590 /nfs/dbraw/zinc/99/05/90/587990590.db2.gz ZYCXPDPEQNCJEX-QMMMGPOBSA-N 1 2 228.317 1.560 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1ncc(Cl)n1C)OC ZINC000842154861 588004024 /nfs/dbraw/zinc/00/40/24/588004024.db2.gz XPFJRSCUTHVZJC-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1ncc(Cl)n1C)OC ZINC000842154861 588004026 /nfs/dbraw/zinc/00/40/26/588004026.db2.gz XPFJRSCUTHVZJC-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)NOC)[C@H]1CC1(C)C ZINC000842166595 588005348 /nfs/dbraw/zinc/00/53/48/588005348.db2.gz LWZTWWYCTKPUMO-RKDXNWHRSA-N 1 2 214.309 1.078 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)OCc1c[nH+]cn1C ZINC000842313821 588016412 /nfs/dbraw/zinc/01/64/12/588016412.db2.gz QOAOOOPYDVZIJJ-NSHDSACASA-N 1 2 240.303 1.524 20 0 BDADLO Cc1nnc(SCCc2cccc(C)[nH+]2)n1N ZINC000842519839 588032667 /nfs/dbraw/zinc/03/26/67/588032667.db2.gz MJSXCHFOCXXIGL-UHFFFAOYSA-N 1 2 249.343 1.339 20 0 BDADLO COc1ccccc1[C@H]([NH3+])c1nc(N(C)C)no1 ZINC000842571759 588043228 /nfs/dbraw/zinc/04/32/28/588043228.db2.gz PKPCBEMJBGARIP-JTQLQIEISA-N 1 2 248.286 1.192 20 0 BDADLO NC(COC[C@@H]1CCOC1)=[NH+]OCC1CCC1 ZINC000842659976 588050526 /nfs/dbraw/zinc/05/05/26/588050526.db2.gz FNLCTJNOORVCEM-LLVKDONJSA-N 1 2 242.319 1.338 20 0 BDADLO COc1ncncc1CNc1c[nH+]ccc1C ZINC000842692050 588052675 /nfs/dbraw/zinc/05/26/75/588052675.db2.gz GDRVYPMLBDFJMR-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO COc1cc[nH+]cc1NCc1cncnc1OC ZINC000842692557 588053105 /nfs/dbraw/zinc/05/31/05/588053105.db2.gz LPAYAJZBRIEGTC-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO CC(C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000867317881 588079083 /nfs/dbraw/zinc/07/90/83/588079083.db2.gz VZUXSSHQJIIHKW-QMMMGPOBSA-N 1 2 208.265 1.036 20 0 BDADLO CC[NH2+]Cc1noc(C(C)(C)C(=O)OCC)n1 ZINC000843144692 588086698 /nfs/dbraw/zinc/08/66/98/588086698.db2.gz HVVMYIYNOUNJGZ-UHFFFAOYSA-N 1 2 241.291 1.020 20 0 BDADLO CC[NH2+]Cc1noc(Cc2c(C)nn(C)c2C)n1 ZINC000843145703 588086847 /nfs/dbraw/zinc/08/68/47/588086847.db2.gz UGZCMKXICMVFIZ-UHFFFAOYSA-N 1 2 249.318 1.120 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)OCC2CC2)n1 ZINC000843145297 588086982 /nfs/dbraw/zinc/08/69/82/588086982.db2.gz IRQCNOKKAQPUII-MRVPVSSYSA-N 1 2 225.292 1.667 20 0 BDADLO CC1(C)C[NH2+]CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000843352074 588102534 /nfs/dbraw/zinc/10/25/34/588102534.db2.gz QSRCHNKSROVFAM-UHFFFAOYSA-N 1 2 248.330 1.111 20 0 BDADLO C[N@H+](Cc1ccc2c(c1)COC2)[C@H](C[NH3+])C1CC1 ZINC000843386339 588105800 /nfs/dbraw/zinc/10/58/00/588105800.db2.gz HCUUXJQXEDTHKM-OAHLLOKOSA-N 1 2 246.354 1.886 20 0 BDADLO C[N@@H+](Cc1ccc2c(c1)COC2)[C@H](C[NH3+])C1CC1 ZINC000843386339 588105801 /nfs/dbraw/zinc/10/58/01/588105801.db2.gz HCUUXJQXEDTHKM-OAHLLOKOSA-N 1 2 246.354 1.886 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C2(F)CC2)c2[nH+]ccn21 ZINC000843601313 588128797 /nfs/dbraw/zinc/12/87/97/588128797.db2.gz GWQZJFFBGGJBLK-HTQZYQBOSA-N 1 2 223.251 1.507 20 0 BDADLO O=C(N1CCC[C@H]1c1[nH]cc[nH+]1)C1(F)CC1 ZINC000843846935 588144803 /nfs/dbraw/zinc/14/48/03/588144803.db2.gz YNMGMWGYMGSCFX-QMMMGPOBSA-N 1 2 223.251 1.575 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)O[C@H](C)COC ZINC000867333961 588147518 /nfs/dbraw/zinc/14/75/18/588147518.db2.gz KIMRKIGHCOPPRG-SECBINFHSA-N 1 2 241.291 1.164 20 0 BDADLO CCON(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000844073575 588159736 /nfs/dbraw/zinc/15/97/36/588159736.db2.gz ILBPEKKCOPXHAV-UHFFFAOYSA-N 1 2 225.292 1.531 20 0 BDADLO CCON(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC000844073551 588159841 /nfs/dbraw/zinc/15/98/41/588159841.db2.gz HXJABISOENYUBO-UHFFFAOYSA-N 1 2 225.292 1.449 20 0 BDADLO CCON(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC000844076656 588160547 /nfs/dbraw/zinc/16/05/47/588160547.db2.gz YENBNCMKGDMESK-UHFFFAOYSA-N 1 2 239.319 1.852 20 0 BDADLO COC/C(C)=C/C(=O)Nc1c[nH+]ccc1OC ZINC000844356053 588187478 /nfs/dbraw/zinc/18/74/78/588187478.db2.gz BJYIZVOIHJGIGN-RMKNXTFCSA-N 1 2 236.271 1.621 20 0 BDADLO C[C@@H](CC(=O)OCc1cnccn1)n1cc[nH+]c1 ZINC000844400001 588190201 /nfs/dbraw/zinc/19/02/01/588190201.db2.gz IPJUYDJBSBNWPQ-JTQLQIEISA-N 1 2 246.270 1.368 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1CCC=CO1)n1cc[nH+]c1 ZINC000844489732 588199400 /nfs/dbraw/zinc/19/94/00/588199400.db2.gz KJNNYTNKLQTYGT-RYUDHWBXSA-N 1 2 249.314 1.643 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCCC2=O)[C@@H](CC)CO1 ZINC000844725427 588215386 /nfs/dbraw/zinc/21/53/86/588215386.db2.gz ILGNLCHQOBMBAI-RYUDHWBXSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCCC2=O)[C@@H](CC)CO1 ZINC000844725427 588215387 /nfs/dbraw/zinc/21/53/87/588215387.db2.gz ILGNLCHQOBMBAI-RYUDHWBXSA-N 1 2 240.347 1.456 20 0 BDADLO CC1(C)CCN(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844755114 588216273 /nfs/dbraw/zinc/21/62/73/588216273.db2.gz GRTORPAZOCZCBI-DTORHVGOSA-N 1 2 244.285 1.399 20 0 BDADLO CC1(C)CCN(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844755114 588216274 /nfs/dbraw/zinc/21/62/74/588216274.db2.gz GRTORPAZOCZCBI-DTORHVGOSA-N 1 2 244.285 1.399 20 0 BDADLO C[C@@H](CC(=O)OC[C@@H]1CCCO1)n1cc[nH+]c1 ZINC000845278460 588225290 /nfs/dbraw/zinc/22/52/90/588225290.db2.gz GGPNWVYOHGYMDE-QWRGUYRKSA-N 1 2 238.287 1.556 20 0 BDADLO COC[C@@H](C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845518196 588231673 /nfs/dbraw/zinc/23/16/73/588231673.db2.gz GSRUJYXNWMEEPR-GHMZBOCLSA-N 1 2 240.303 1.660 20 0 BDADLO COC/C(C)=C\C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000845910312 588250218 /nfs/dbraw/zinc/25/02/18/588250218.db2.gz LCMWPKWUCJDDBQ-IEHMKBBKSA-N 1 2 249.314 1.666 20 0 BDADLO COC/C(C)=C\C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000845910311 588250397 /nfs/dbraw/zinc/25/03/97/588250397.db2.gz LCMWPKWUCJDDBQ-HIJJYWJESA-N 1 2 249.314 1.666 20 0 BDADLO COC/C(C)=C\C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000845932642 588250843 /nfs/dbraw/zinc/25/08/43/588250843.db2.gz HWOUGMZSCMTMGQ-POHAHGRESA-N 1 2 249.314 1.126 20 0 BDADLO CC[C@@H](NC(=O)C=C(C)COC)c1[nH]cc[nH+]1 ZINC000845953729 588251466 /nfs/dbraw/zinc/25/14/66/588251466.db2.gz ZIJCDAYEUBCRGJ-TTZKWOQHSA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@@H](NC(=O)/C=C(\C)COC)c1[nH]cc[nH+]1 ZINC000845953729 588251467 /nfs/dbraw/zinc/25/14/67/588251467.db2.gz ZIJCDAYEUBCRGJ-TTZKWOQHSA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccn2)[C@@H](CC)CO1 ZINC000846028159 588253978 /nfs/dbraw/zinc/25/39/78/588253978.db2.gz XRYPPEXEMDYUGZ-QWHCGFSZSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccn2)[C@@H](CC)CO1 ZINC000846028159 588253979 /nfs/dbraw/zinc/25/39/79/588253979.db2.gz XRYPPEXEMDYUGZ-QWHCGFSZSA-N 1 2 235.331 1.866 20 0 BDADLO CCONC(=O)C[NH2+]C1CCC2(CC2)CC1 ZINC000846084952 588255911 /nfs/dbraw/zinc/25/59/11/588255911.db2.gz GDXNQYNDAXUCRC-UHFFFAOYSA-N 1 2 226.320 1.367 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000846086323 588256066 /nfs/dbraw/zinc/25/60/66/588256066.db2.gz NYTFRSAZAUBPCX-WDEREUQCSA-N 1 2 228.336 1.470 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000846089999 588256204 /nfs/dbraw/zinc/25/62/04/588256204.db2.gz BHNSMVCIKJGNTI-QWRGUYRKSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000846088697 588256254 /nfs/dbraw/zinc/25/62/54/588256254.db2.gz ZTYITIRYLKHGDG-RYUDHWBXSA-N 1 2 242.363 1.859 20 0 BDADLO CCONC(=O)C[NH2+]C1CC2(C1)CCCCC2 ZINC000846090302 588256473 /nfs/dbraw/zinc/25/64/73/588256473.db2.gz GAFHKVLJBJXFFA-UHFFFAOYSA-N 1 2 240.347 1.757 20 0 BDADLO C[C@H](CC(=O)NOCC1CC1)n1cc[nH+]c1 ZINC000846219387 588260695 /nfs/dbraw/zinc/26/06/95/588260695.db2.gz PTSFHOIOCGXEOX-SECBINFHSA-N 1 2 223.276 1.292 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC2(CC2)C1 ZINC000846229994 588261973 /nfs/dbraw/zinc/26/19/73/588261973.db2.gz CJIOERUBVYHXPY-UHFFFAOYSA-N 1 2 245.326 1.384 20 0 BDADLO [NH3+]CC(F)(F)CC(=O)NOCc1ccccc1 ZINC000846671845 588282135 /nfs/dbraw/zinc/28/21/35/588282135.db2.gz GQPOMRXLHVDKES-UHFFFAOYSA-N 1 2 244.241 1.219 20 0 BDADLO COc1cncc(NCc2[nH+]ccn2C)c1 ZINC000846747744 588284704 /nfs/dbraw/zinc/28/47/04/588284704.db2.gz VLNLMIVNJDPMIV-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846800350 588289362 /nfs/dbraw/zinc/28/93/62/588289362.db2.gz ZJHWCSPMJBNGND-MRVPVSSYSA-N 1 2 230.670 1.441 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846800350 588289363 /nfs/dbraw/zinc/28/93/63/588289363.db2.gz ZJHWCSPMJBNGND-MRVPVSSYSA-N 1 2 230.670 1.441 20 0 BDADLO OCCCC[N@H+](Cc1cnsn1)C1CC1 ZINC000846805385 588289447 /nfs/dbraw/zinc/28/94/47/588289447.db2.gz CVBGOCXJGBABSL-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OCCCC[N@@H+](Cc1cnsn1)C1CC1 ZINC000846805385 588289448 /nfs/dbraw/zinc/28/94/48/588289448.db2.gz CVBGOCXJGBABSL-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846805612 588289531 /nfs/dbraw/zinc/28/95/31/588289531.db2.gz DHMGKZLWAKGZPM-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846805612 588289532 /nfs/dbraw/zinc/28/95/32/588289532.db2.gz DHMGKZLWAKGZPM-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846805611 588289595 /nfs/dbraw/zinc/28/95/95/588289595.db2.gz DHMGKZLWAKGZPM-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846805611 588289596 /nfs/dbraw/zinc/28/95/96/588289596.db2.gz DHMGKZLWAKGZPM-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846808549 588289897 /nfs/dbraw/zinc/28/98/97/588289897.db2.gz YQAOUUDNLZWMMB-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846808549 588289898 /nfs/dbraw/zinc/28/98/98/588289898.db2.gz YQAOUUDNLZWMMB-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@H]1CCOC1 ZINC000846810855 588290251 /nfs/dbraw/zinc/29/02/51/588290251.db2.gz GQOUQVXWLBFRDN-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@H]1CCOC1 ZINC000846810855 588290252 /nfs/dbraw/zinc/29/02/52/588290252.db2.gz GQOUQVXWLBFRDN-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO c1cn(C2CCN(Cc3cnsn3)CC2)c[nH+]1 ZINC000846811452 588290485 /nfs/dbraw/zinc/29/04/85/588290485.db2.gz KWNVRSAWZXRXOV-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO CCOC(C[N@H+](CC)Cc1cc[nH]n1)OCC ZINC000846978320 588298724 /nfs/dbraw/zinc/29/87/24/588298724.db2.gz YWOBIILQAGJSCB-UHFFFAOYSA-N 1 2 241.335 1.631 20 0 BDADLO CCOC(C[N@@H+](CC)Cc1cc[nH]n1)OCC ZINC000846978320 588298725 /nfs/dbraw/zinc/29/87/25/588298725.db2.gz YWOBIILQAGJSCB-UHFFFAOYSA-N 1 2 241.335 1.631 20 0 BDADLO CON1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000846975031 588299501 /nfs/dbraw/zinc/29/95/01/588299501.db2.gz JHCAGFNADMNXTQ-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO CON1CC[NH+](CC2(Br)CC2)CC1 ZINC000846975823 588299918 /nfs/dbraw/zinc/29/99/18/588299918.db2.gz OSIFWQCKGHXKQL-UHFFFAOYSA-N 1 2 249.152 1.093 20 0 BDADLO COC(C[N@@H+]1CCC(=O)CC12CCC2)OC ZINC000846996007 588300891 /nfs/dbraw/zinc/30/08/91/588300891.db2.gz IECWFULTQSMRCM-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO COC(C[N@H+]1CCC(=O)CC12CCC2)OC ZINC000846996007 588300892 /nfs/dbraw/zinc/30/08/92/588300892.db2.gz IECWFULTQSMRCM-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847061877 588305613 /nfs/dbraw/zinc/30/56/13/588305613.db2.gz DMFBPINYEFRUSH-QMMMGPOBSA-N 1 2 225.292 1.740 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847061877 588305614 /nfs/dbraw/zinc/30/56/14/588305614.db2.gz DMFBPINYEFRUSH-QMMMGPOBSA-N 1 2 225.292 1.740 20 0 BDADLO Cc1noc(C[N@H+](C)CCC(=O)C2CC2)n1 ZINC000847092020 588306103 /nfs/dbraw/zinc/30/61/03/588306103.db2.gz JVMPSQIVTXQXSX-UHFFFAOYSA-N 1 2 223.276 1.179 20 0 BDADLO Cc1noc(C[N@@H+](C)CCC(=O)C2CC2)n1 ZINC000847092020 588306104 /nfs/dbraw/zinc/30/61/04/588306104.db2.gz JVMPSQIVTXQXSX-UHFFFAOYSA-N 1 2 223.276 1.179 20 0 BDADLO COc1ccc(C(=O)OCc2c[nH+]cn2C)o1 ZINC000847654797 588323717 /nfs/dbraw/zinc/32/37/17/588323717.db2.gz TXKYZJDMVULFFU-UHFFFAOYSA-N 1 2 236.227 1.379 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOC1CCCC1 ZINC000847661950 588324572 /nfs/dbraw/zinc/32/45/72/588324572.db2.gz HWVMREFDNWJBHO-SECBINFHSA-N 1 2 237.303 1.579 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOC1CCCC1 ZINC000847661950 588324574 /nfs/dbraw/zinc/32/45/74/588324574.db2.gz HWVMREFDNWJBHO-SECBINFHSA-N 1 2 237.303 1.579 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC=CO1 ZINC000848174792 588365137 /nfs/dbraw/zinc/36/51/37/588365137.db2.gz WFVLKBKWRVOLHA-JTQLQIEISA-N 1 2 235.287 1.212 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](O)CC(C)C ZINC000848659962 588404124 /nfs/dbraw/zinc/40/41/24/588404124.db2.gz YXZQGNPTHCLPRY-SNVBAGLBSA-N 1 2 239.319 1.613 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C=CCC1 ZINC000849225988 588463186 /nfs/dbraw/zinc/46/31/86/588463186.db2.gz JUDCWZWFKGQUKP-MNOVXSKESA-N 1 2 234.303 1.289 20 0 BDADLO CO[C@H](C[NH2+]Cc1nc(C)c[nH]1)C(F)(F)F ZINC000850135187 588521346 /nfs/dbraw/zinc/52/13/46/588521346.db2.gz JUSSLYJNZPDABT-SSDOTTSWSA-N 1 2 237.225 1.385 20 0 BDADLO CCc1cc(C[NH2+]Cc2nc(C)c[nH]2)[nH]n1 ZINC000850137999 588521375 /nfs/dbraw/zinc/52/13/75/588521375.db2.gz ZYWWGJANJKBGHR-UHFFFAOYSA-N 1 2 219.292 1.293 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)n1 ZINC000850375248 588541913 /nfs/dbraw/zinc/54/19/13/588541913.db2.gz QEMQLQKWBSONMI-OLZOCXBDSA-N 1 2 244.298 1.083 20 0 BDADLO Cn1ncc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)n1 ZINC000850375250 588542217 /nfs/dbraw/zinc/54/22/17/588542217.db2.gz QEMQLQKWBSONMI-STQMWFEESA-N 1 2 244.298 1.083 20 0 BDADLO c1nonc1C[N@@H+]1CCc2ccccc2C1 ZINC000851711456 588615492 /nfs/dbraw/zinc/61/54/92/588615492.db2.gz AYEIQHFIJYJROK-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO c1nonc1C[N@H+]1CCc2ccccc2C1 ZINC000851711456 588615493 /nfs/dbraw/zinc/61/54/93/588615493.db2.gz AYEIQHFIJYJROK-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO Fc1cccc(C[NH+]2CCSCC2)n1 ZINC000851727092 588618620 /nfs/dbraw/zinc/61/86/20/588618620.db2.gz BNLLBGAIIDDZMA-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO C[N@H+](CC[C@H]1COC(C)(C)O1)CC(F)F ZINC000851750498 588623091 /nfs/dbraw/zinc/62/30/91/588623091.db2.gz CFIRXHFDYIYBRW-QMMMGPOBSA-N 1 2 223.263 1.725 20 0 BDADLO C[N@@H+](CC[C@H]1COC(C)(C)O1)CC(F)F ZINC000851750498 588623092 /nfs/dbraw/zinc/62/30/92/588623092.db2.gz CFIRXHFDYIYBRW-QMMMGPOBSA-N 1 2 223.263 1.725 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOC(F)F ZINC000851777864 588626802 /nfs/dbraw/zinc/62/68/02/588626802.db2.gz AOBZLXBGKSRQJA-PISXGGPESA-N 1 2 241.303 1.067 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOC(F)F ZINC000851777864 588626803 /nfs/dbraw/zinc/62/68/03/588626803.db2.gz AOBZLXBGKSRQJA-PISXGGPESA-N 1 2 241.303 1.067 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1cnon1)Cc1ccccc1 ZINC000851782379 588627803 /nfs/dbraw/zinc/62/78/03/588627803.db2.gz RQEOSGWMMXMXOM-LLVKDONJSA-N 1 2 247.298 1.453 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1cnon1)Cc1ccccc1 ZINC000851782379 588627804 /nfs/dbraw/zinc/62/78/04/588627804.db2.gz RQEOSGWMMXMXOM-LLVKDONJSA-N 1 2 247.298 1.453 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cnon1 ZINC000851808018 588631890 /nfs/dbraw/zinc/63/18/90/588631890.db2.gz DZYIJJDSZHOCGZ-GFCCVEGCSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cnon1 ZINC000851808018 588631891 /nfs/dbraw/zinc/63/18/91/588631891.db2.gz DZYIJJDSZHOCGZ-GFCCVEGCSA-N 1 2 247.302 1.449 20 0 BDADLO CCOP(=O)(OCC)[C@H](O)Cn1cc[nH+]c1 ZINC000851820464 588633472 /nfs/dbraw/zinc/63/34/72/588633472.db2.gz BCSUMXLJJQEEJI-VIFPVBQESA-N 1 2 248.219 1.468 20 0 BDADLO FC(F)OCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000851873087 588637616 /nfs/dbraw/zinc/63/76/16/588637616.db2.gz WBNLUENMAYOEBC-UHFFFAOYSA-N 1 2 217.219 1.007 20 0 BDADLO FC(F)OCC[N@H+]1CCc2n[nH]cc2C1 ZINC000851873087 588637617 /nfs/dbraw/zinc/63/76/17/588637617.db2.gz WBNLUENMAYOEBC-UHFFFAOYSA-N 1 2 217.219 1.007 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1cccc(F)c1 ZINC000851874410 588638269 /nfs/dbraw/zinc/63/82/69/588638269.db2.gz FQURSERZEXPTKC-LBPRGKRZSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1cccc(F)c1 ZINC000851874410 588638270 /nfs/dbraw/zinc/63/82/70/588638270.db2.gz FQURSERZEXPTKC-LBPRGKRZSA-N 1 2 249.289 1.714 20 0 BDADLO CN1CCN(C[C@H]2CCC(=O)O2)c2ccc[nH+]c21 ZINC000851876809 588638717 /nfs/dbraw/zinc/63/87/17/588638717.db2.gz OEKMPTXSOGJYIJ-SNVBAGLBSA-N 1 2 247.298 1.043 20 0 BDADLO Fc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000851879772 588639108 /nfs/dbraw/zinc/63/91/08/588639108.db2.gz MNFOHHMSRDRAMW-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000851879772 588639109 /nfs/dbraw/zinc/63/91/09/588639109.db2.gz MNFOHHMSRDRAMW-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO CC[C@](C)([NH2+]CCOC(F)F)C(=O)OC ZINC000851885411 588639773 /nfs/dbraw/zinc/63/97/73/588639773.db2.gz HEWAWBDLLWTFFM-VIFPVBQESA-N 1 2 225.235 1.157 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H]1COC(C)(C)O1)C(=O)OC ZINC000851885974 588639904 /nfs/dbraw/zinc/63/99/04/588639904.db2.gz NRCILFVPANTAAK-SKDRFNHKSA-N 1 2 245.319 1.069 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cccnc2)n1 ZINC000851893933 588641840 /nfs/dbraw/zinc/64/18/40/588641840.db2.gz NJUKRZXWPMBLLL-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO OC[C@H]([NH2+]Cc1cnon1)c1cccc(F)c1 ZINC000851918006 588643330 /nfs/dbraw/zinc/64/33/30/588643330.db2.gz SYNDBQSTJWMMQU-NSHDSACASA-N 1 2 237.234 1.032 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(F)n1 ZINC000851923849 588644134 /nfs/dbraw/zinc/64/41/34/588644134.db2.gz VOIIAPNKTDDILI-JDNHERCYSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(F)n1 ZINC000851923849 588644135 /nfs/dbraw/zinc/64/41/35/588644135.db2.gz VOIIAPNKTDDILI-JDNHERCYSA-N 1 2 244.335 1.420 20 0 BDADLO ClC(Cl)=CC[N@@H+]1CCn2ncnc2C1 ZINC000851945052 588646669 /nfs/dbraw/zinc/64/66/69/588646669.db2.gz ZSDPIRXRQXFBPJ-UHFFFAOYSA-N 1 2 233.102 1.413 20 0 BDADLO ClC(Cl)=CC[N@H+]1CCn2ncnc2C1 ZINC000851945052 588646670 /nfs/dbraw/zinc/64/66/70/588646670.db2.gz ZSDPIRXRQXFBPJ-UHFFFAOYSA-N 1 2 233.102 1.413 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1CCOC(F)F ZINC000852046017 588657294 /nfs/dbraw/zinc/65/72/94/588657294.db2.gz MECCKBAQINCSAH-ZETCQYMHSA-N 1 2 245.216 1.582 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1CCOC(F)F ZINC000852046017 588657295 /nfs/dbraw/zinc/65/72/95/588657295.db2.gz MECCKBAQINCSAH-ZETCQYMHSA-N 1 2 245.216 1.582 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCOC[C@@H]2CC(F)F)O1 ZINC000852047030 588657397 /nfs/dbraw/zinc/65/73/97/588657397.db2.gz UCYAQQVFNUBXEE-DTWKUNHWSA-N 1 2 249.257 1.048 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCOC[C@@H]2CC(F)F)O1 ZINC000852047030 588657398 /nfs/dbraw/zinc/65/73/98/588657398.db2.gz UCYAQQVFNUBXEE-DTWKUNHWSA-N 1 2 249.257 1.048 20 0 BDADLO CC1(C)C[N@H+](Cc2cnon2)[C@H]1[C@H]1CCCO1 ZINC000852055783 588658105 /nfs/dbraw/zinc/65/81/05/588658105.db2.gz XBWCRYXBRKVSCS-MNOVXSKESA-N 1 2 237.303 1.459 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnon2)[C@H]1[C@H]1CCCO1 ZINC000852055783 588658106 /nfs/dbraw/zinc/65/81/06/588658106.db2.gz XBWCRYXBRKVSCS-MNOVXSKESA-N 1 2 237.303 1.459 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnon2)CCC1(F)F ZINC000852056015 588658312 /nfs/dbraw/zinc/65/83/12/588658312.db2.gz HUGUSTDTZPPIRX-SSDOTTSWSA-N 1 2 217.219 1.547 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnon2)CCC1(F)F ZINC000852056015 588658313 /nfs/dbraw/zinc/65/83/13/588658313.db2.gz HUGUSTDTZPPIRX-SSDOTTSWSA-N 1 2 217.219 1.547 20 0 BDADLO CO[C@H](C[NH2+][C@]1(C)CCOC1=O)C1CCCC1 ZINC000852062306 588658494 /nfs/dbraw/zinc/65/84/94/588658494.db2.gz CBKZAARQYBDHNV-DGCLKSJQSA-N 1 2 241.331 1.487 20 0 BDADLO c1nonc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000852063037 588658561 /nfs/dbraw/zinc/65/85/61/588658561.db2.gz MSTBZOBDYLHXPU-RYUDHWBXSA-N 1 2 249.314 1.603 20 0 BDADLO c1nonc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000852063037 588658562 /nfs/dbraw/zinc/65/85/62/588658562.db2.gz MSTBZOBDYLHXPU-RYUDHWBXSA-N 1 2 249.314 1.603 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)no1 ZINC000852121187 588665000 /nfs/dbraw/zinc/66/50/00/588665000.db2.gz KPAOPGJXZFBJAU-JTQLQIEISA-N 1 2 232.230 1.185 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)no1 ZINC000852121187 588665001 /nfs/dbraw/zinc/66/50/01/588665001.db2.gz KPAOPGJXZFBJAU-JTQLQIEISA-N 1 2 232.230 1.185 20 0 BDADLO CCCCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000852142039 588666619 /nfs/dbraw/zinc/66/66/19/588666619.db2.gz PIASSFKQGOQEKE-UHFFFAOYSA-N 1 2 233.377 1.686 20 0 BDADLO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cnon2)C1 ZINC000852172927 588669266 /nfs/dbraw/zinc/66/92/66/588669266.db2.gz WCMNRGDIFKIYTN-OLZOCXBDSA-N 1 2 245.282 1.378 20 0 BDADLO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cnon2)C1 ZINC000852172927 588669267 /nfs/dbraw/zinc/66/92/67/588669267.db2.gz WCMNRGDIFKIYTN-OLZOCXBDSA-N 1 2 245.282 1.378 20 0 BDADLO CCCCOC(=O)CC[N@@H+](C)Cc1cnc[nH]1 ZINC000852284125 588675748 /nfs/dbraw/zinc/67/57/48/588675748.db2.gz HWBMMZQBEHTFLZ-UHFFFAOYSA-N 1 2 239.319 1.575 20 0 BDADLO CCCOC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000852286903 588676064 /nfs/dbraw/zinc/67/60/64/588676064.db2.gz PRZYFNIZPYKISF-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CCCOC(=O)[C@@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000852286903 588676065 /nfs/dbraw/zinc/67/60/65/588676065.db2.gz PRZYFNIZPYKISF-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCc1ccoc1 ZINC000852343901 588678964 /nfs/dbraw/zinc/67/89/64/588678964.db2.gz IHESROCXYUAGMG-UHFFFAOYSA-N 1 2 248.286 1.055 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NOC1CCC1 ZINC000852367416 588680231 /nfs/dbraw/zinc/68/02/31/588680231.db2.gz ZEAMFGIVCGXBTL-UHFFFAOYSA-N 1 2 224.264 1.035 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NOC1CCC1 ZINC000852367416 588680232 /nfs/dbraw/zinc/68/02/32/588680232.db2.gz ZEAMFGIVCGXBTL-UHFFFAOYSA-N 1 2 224.264 1.035 20 0 BDADLO Cc1ccnc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)n1 ZINC000852445222 588682491 /nfs/dbraw/zinc/68/24/91/588682491.db2.gz XNPPWJBZEAHUFM-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)n1 ZINC000852445222 588682492 /nfs/dbraw/zinc/68/24/92/588682492.db2.gz XNPPWJBZEAHUFM-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO C[C@@H]1C[NH+](CCOC(F)F)C[C@@H](C)C1=O ZINC000852474753 588683269 /nfs/dbraw/zinc/68/32/69/588683269.db2.gz BYSJPZHDEXEHTM-HTQZYQBOSA-N 1 2 221.247 1.383 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(OC)cn1 ZINC000852481943 588684527 /nfs/dbraw/zinc/68/45/27/588684527.db2.gz VWUKMVIRJAMNMX-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(OC)cn1 ZINC000852481943 588684528 /nfs/dbraw/zinc/68/45/28/588684528.db2.gz VWUKMVIRJAMNMX-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)C[C@H]1COCCO1 ZINC000852498427 588685990 /nfs/dbraw/zinc/68/59/90/588685990.db2.gz HSAOBROZRZBVNO-QMMMGPOBSA-N 1 2 240.130 1.653 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)C[C@H]1COCCO1 ZINC000852498427 588685991 /nfs/dbraw/zinc/68/59/91/588685991.db2.gz HSAOBROZRZBVNO-QMMMGPOBSA-N 1 2 240.130 1.653 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852584435 588691841 /nfs/dbraw/zinc/69/18/41/588691841.db2.gz NHCDEKNSFLUABY-GARJFASQSA-N 1 2 241.331 1.221 20 0 BDADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C/C=C\Cl ZINC000852632808 588693148 /nfs/dbraw/zinc/69/31/48/588693148.db2.gz IAKDXMLBOCZYJX-VLWUPBBWSA-N 1 2 247.722 1.393 20 0 BDADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C/C=C\Cl ZINC000852632808 588693149 /nfs/dbraw/zinc/69/31/49/588693149.db2.gz IAKDXMLBOCZYJX-VLWUPBBWSA-N 1 2 247.722 1.393 20 0 BDADLO FC(F)OCC[N@@H+]1CCc2nccnc2C1 ZINC000852698505 588696595 /nfs/dbraw/zinc/69/65/95/588696595.db2.gz SBSFDOVTZSKTTA-UHFFFAOYSA-N 1 2 229.230 1.074 20 0 BDADLO FC(F)OCC[N@H+]1CCc2nccnc2C1 ZINC000852698505 588696596 /nfs/dbraw/zinc/69/65/96/588696596.db2.gz SBSFDOVTZSKTTA-UHFFFAOYSA-N 1 2 229.230 1.074 20 0 BDADLO Cc1ccnc(C[N@H+](C)CC2=CCSC2)n1 ZINC000852747718 588697979 /nfs/dbraw/zinc/69/79/79/588697979.db2.gz VBJISDURUMFZJP-UHFFFAOYSA-N 1 2 235.356 1.890 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CC2=CCSC2)n1 ZINC000852747718 588697980 /nfs/dbraw/zinc/69/79/80/588697980.db2.gz VBJISDURUMFZJP-UHFFFAOYSA-N 1 2 235.356 1.890 20 0 BDADLO C[C@@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCCO1 ZINC000861763444 589176789 /nfs/dbraw/zinc/17/67/89/589176789.db2.gz QVOZJTYPSNXOIC-ZDUSSCGKSA-N 1 2 249.314 1.254 20 0 BDADLO C[C@@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCCO1 ZINC000861763444 589176791 /nfs/dbraw/zinc/17/67/91/589176791.db2.gz QVOZJTYPSNXOIC-ZDUSSCGKSA-N 1 2 249.314 1.254 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1C=CCC1)CC2 ZINC000862172515 589193749 /nfs/dbraw/zinc/19/37/49/589193749.db2.gz AFFJTUAKBLXUCG-VXGBXAGGSA-N 1 2 245.326 1.589 20 0 BDADLO Cc1ncc(C[NH+]2CCC(c3nc[nH]n3)CC2)o1 ZINC000862248637 589197382 /nfs/dbraw/zinc/19/73/82/589197382.db2.gz ONWHZFBQEVNLFM-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000862291745 589199936 /nfs/dbraw/zinc/19/99/36/589199936.db2.gz OSRKSGHYTQCGMR-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO COC(=O)[C@H](CC1CC1)NCc1[nH]cc(C)[nH+]1 ZINC000862393778 589208295 /nfs/dbraw/zinc/20/82/95/589208295.db2.gz YSYFVCNEWXTPPC-JTQLQIEISA-N 1 2 237.303 1.149 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)cc(Cl)n1 ZINC000862424661 589211774 /nfs/dbraw/zinc/21/17/74/589211774.db2.gz XLPOLAQXQJJUMW-UHFFFAOYSA-N 1 2 237.694 1.451 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccnc(F)c2C)n1 ZINC000862433993 589212278 /nfs/dbraw/zinc/21/22/78/589212278.db2.gz RUYZCDPHNHYJHY-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO Cc1ncc(C[NH+]2CC3(C2)CCCO3)s1 ZINC000862484542 589216860 /nfs/dbraw/zinc/21/68/60/589216860.db2.gz UDESRLGOECPFDK-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO CCC[NH+](CCC)Cn1nc(COC)oc1=O ZINC000119175898 589247033 /nfs/dbraw/zinc/24/70/33/589247033.db2.gz AVKTWHYXHRKESJ-UHFFFAOYSA-N 1 2 243.307 1.062 20 0 BDADLO C[C@H]1C[C@@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000863468343 589290597 /nfs/dbraw/zinc/29/05/97/589290597.db2.gz WIEUOABSWSWZHP-DTWKUNHWSA-N 1 2 214.309 1.956 20 0 BDADLO COC1(C(N)=[NH+]OC[C@H]2C[C@@H]2C)CCOCC1 ZINC000863477128 589292256 /nfs/dbraw/zinc/29/22/56/589292256.db2.gz UMNCCSQYLYIBJS-VHSXEESVSA-N 1 2 242.319 1.336 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)C1(OC)CCCC1 ZINC000863479384 589292576 /nfs/dbraw/zinc/29/25/76/589292576.db2.gz KISBIDHFSGUVJI-VIFPVBQESA-N 1 2 230.308 1.479 20 0 BDADLO CC[C@@H]1CC[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000119575697 589309489 /nfs/dbraw/zinc/30/94/89/589309489.db2.gz MALVCDOJTXWCCF-LLVKDONJSA-N 1 2 246.314 1.185 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000119575697 589309490 /nfs/dbraw/zinc/30/94/90/589309490.db2.gz MALVCDOJTXWCCF-LLVKDONJSA-N 1 2 246.314 1.185 20 0 BDADLO Cc1[nH+]cc(-c2cnc(Cl)n2C)n1C ZINC000863979233 589332048 /nfs/dbraw/zinc/33/20/48/589332048.db2.gz DGIDUDMAZWYNMW-UHFFFAOYSA-N 1 2 210.668 1.782 20 0 BDADLO C[C@@H]1COC2(CCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000864067532 589338343 /nfs/dbraw/zinc/33/83/43/589338343.db2.gz IVTWVNSOKLPTOT-SNVBAGLBSA-N 1 2 249.314 1.122 20 0 BDADLO CO[C@H]1C[C@H](Nc2cccc([C@H](C)O)[nH+]2)C1 ZINC000864090850 589343347 /nfs/dbraw/zinc/34/33/47/589343347.db2.gz KLKMBJGUAISMML-GUBZILKMSA-N 1 2 222.288 1.724 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864384912 589357526 /nfs/dbraw/zinc/35/75/26/589357526.db2.gz IGIPIKUTISHNQW-UWVGGRQHSA-N 1 2 248.317 1.878 20 0 BDADLO CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864384912 589357528 /nfs/dbraw/zinc/35/75/28/589357528.db2.gz IGIPIKUTISHNQW-UWVGGRQHSA-N 1 2 248.317 1.878 20 0 BDADLO CCON(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864427473 589362150 /nfs/dbraw/zinc/36/21/50/589362150.db2.gz POVMWRLIGORUIP-JTQLQIEISA-N 1 2 240.307 1.255 20 0 BDADLO O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCC1 ZINC000864608655 589383054 /nfs/dbraw/zinc/38/30/54/589383054.db2.gz SIECBYVJJXYSJJ-SECBINFHSA-N 1 2 232.274 1.196 20 0 BDADLO O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCC1 ZINC000864608655 589383056 /nfs/dbraw/zinc/38/30/56/589383056.db2.gz SIECBYVJJXYSJJ-SECBINFHSA-N 1 2 232.274 1.196 20 0 BDADLO CCN(C(=O)/C=C\C[NH+]1CCOCC1)C(C)C ZINC000864952447 589402166 /nfs/dbraw/zinc/40/21/66/589402166.db2.gz QLVZDGLFRGXWII-WAYWQWQTSA-N 1 2 240.347 1.132 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865011421 589404711 /nfs/dbraw/zinc/40/47/11/589404711.db2.gz AJLQHKFQASSBSV-GHMZBOCLSA-N 1 2 237.303 1.090 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865041593 589406377 /nfs/dbraw/zinc/40/63/77/589406377.db2.gz BXJSWRFQLVUJHG-GXSJLCMTSA-N 1 2 237.303 1.092 20 0 BDADLO CC1(C)CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865122128 589409692 /nfs/dbraw/zinc/40/96/92/589409692.db2.gz UOJUXCJTVVYKRD-SNVBAGLBSA-N 1 2 237.303 1.092 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000865157706 589412129 /nfs/dbraw/zinc/41/21/29/589412129.db2.gz BTYPRYMWKISDCU-RCWTZXSCSA-N 1 2 233.315 1.328 20 0 BDADLO CC(C)(C)c1cn(CC(=O)NCC2CC2)c[nH+]1 ZINC000865375752 589428183 /nfs/dbraw/zinc/42/81/83/589428183.db2.gz MZLXOXGLCIAHSJ-UHFFFAOYSA-N 1 2 235.331 1.707 20 0 BDADLO Cn1cc[nH+]c1Cn1cnc(C(C)(C)C)c1 ZINC000865374955 589428329 /nfs/dbraw/zinc/42/83/29/589428329.db2.gz BSUKKHPJVXVKRP-UHFFFAOYSA-N 1 2 218.304 1.962 20 0 BDADLO Cc1noc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865375999 589428356 /nfs/dbraw/zinc/42/83/56/589428356.db2.gz UVIMVFMSXGVMOT-UHFFFAOYSA-N 1 2 220.276 1.920 20 0 BDADLO Nc1nc(NCC2CC2)nc(C2CCCC2)[nH+]1 ZINC000865429320 589435451 /nfs/dbraw/zinc/43/54/51/589435451.db2.gz QVQHQCGBBSODBO-UHFFFAOYSA-N 1 2 233.319 1.933 20 0 BDADLO Nc1nc(NCC2CC2)[nH+]c(C2CCCC2)n1 ZINC000865429320 589435452 /nfs/dbraw/zinc/43/54/52/589435452.db2.gz QVQHQCGBBSODBO-UHFFFAOYSA-N 1 2 233.319 1.933 20 0 BDADLO CCc1cc(C[NH2+]Cc2cc(C)no2)[nH]n1 ZINC000865461785 589438181 /nfs/dbraw/zinc/43/81/81/589438181.db2.gz BRTUNKIZTRMVTQ-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H](C)Cn2cncn2)[nH+]c1 ZINC000865479686 589439710 /nfs/dbraw/zinc/43/97/10/589439710.db2.gz DCHAHRZJVIDPMR-VHSXEESVSA-N 1 2 247.302 1.227 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865534578 589444294 /nfs/dbraw/zinc/44/42/94/589444294.db2.gz AWOCNMRDSFAOJD-UMNHJUIQSA-N 1 2 238.331 1.954 20 0 BDADLO COc1cc(NCc2cn(C3CC3)c[nH+]2)[nH]n1 ZINC000865638476 589453524 /nfs/dbraw/zinc/45/35/24/589453524.db2.gz CDQLLZHSDAGHBL-UHFFFAOYSA-N 1 2 233.275 1.562 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ccc(F)nn1)CC2 ZINC000865668775 589455265 /nfs/dbraw/zinc/45/52/65/589455265.db2.gz RANOXMIEVQOPCF-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO C[C@@H](O)c1ccc(N2CCOCC3(CC3)C2)[nH+]c1 ZINC000865669549 589455535 /nfs/dbraw/zinc/45/55/35/589455535.db2.gz GVJWASIGYGSKPD-LLVKDONJSA-N 1 2 248.326 1.752 20 0 BDADLO C[C@H](O)c1ccc(N(C)C2CC(O)C2)[nH+]c1 ZINC000865677851 589455858 /nfs/dbraw/zinc/45/58/58/589455858.db2.gz NELSZDVPIQTEPP-PUSIOWJLSA-N 1 2 222.288 1.094 20 0 BDADLO CCCNc1cc(N2C[C@@H]3C[C@]3(CO)C2)nc[nH+]1 ZINC000865710810 589457976 /nfs/dbraw/zinc/45/79/76/589457976.db2.gz DHYSVHVYLPDMCO-GXFFZTMASA-N 1 2 248.330 1.117 20 0 BDADLO CCCNc1cc(N2C[C@@H]3C[C@]3(CO)C2)[nH+]cn1 ZINC000865710810 589457977 /nfs/dbraw/zinc/45/79/77/589457977.db2.gz DHYSVHVYLPDMCO-GXFFZTMASA-N 1 2 248.330 1.117 20 0 BDADLO CC(C)([NH2+]Cc1ccn[nH]1)[C@H]1CCCCO1 ZINC000865747748 589460876 /nfs/dbraw/zinc/46/08/76/589460876.db2.gz WNTIHKAAECXFFA-LLVKDONJSA-N 1 2 223.320 1.847 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865794772 589462221 /nfs/dbraw/zinc/46/22/21/589462221.db2.gz XQVFDSMXUBOLQP-JLLWLGSASA-N 1 2 236.315 1.749 20 0 BDADLO FCCn1ccc(NCc2cn(C3CC3)c[nH+]2)n1 ZINC000865836279 589464211 /nfs/dbraw/zinc/46/42/11/589464211.db2.gz ZCLTVXVVULHLRV-UHFFFAOYSA-N 1 2 249.293 1.996 20 0 BDADLO c1cc(C[NH2+][C@]23CCC[C@H]2OCC3)[nH]n1 ZINC000865858326 589465243 /nfs/dbraw/zinc/46/52/43/589465243.db2.gz BZAITPOFHMIWRC-MNOVXSKESA-N 1 2 207.277 1.211 20 0 BDADLO CCCCc1cc(NC[C@@H]2COCO2)nc[nH+]1 ZINC000865871565 589466155 /nfs/dbraw/zinc/46/61/55/589466155.db2.gz CWAFEOVYAWJEOY-LLVKDONJSA-N 1 2 237.303 1.604 20 0 BDADLO CC(C)Cc1cc(NC[C@H]2COCO2)nc[nH+]1 ZINC000865873344 589466353 /nfs/dbraw/zinc/46/63/53/589466353.db2.gz XECIZLVHWVDNIE-NSHDSACASA-N 1 2 237.303 1.460 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@H]2CCCNC2=O)[nH+]c1 ZINC000865872200 589466421 /nfs/dbraw/zinc/46/64/21/589466421.db2.gz SYPZDOXHFABPIM-MWLCHTKSSA-N 1 2 249.314 1.073 20 0 BDADLO C[C@H](O)c1ccc(N2CCO[C@H](CF)C2)[nH+]c1 ZINC000865875524 589466567 /nfs/dbraw/zinc/46/65/67/589466567.db2.gz CRCIDRIVGHKQFP-GXSJLCMTSA-N 1 2 240.278 1.310 20 0 BDADLO CCn1ccc(CNc2ccc([C@H](C)O)c[nH+]2)n1 ZINC000865874793 589466616 /nfs/dbraw/zinc/46/66/16/589466616.db2.gz IWXRNNBITSCWFQ-JTQLQIEISA-N 1 2 246.314 1.963 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878147 589467124 /nfs/dbraw/zinc/46/71/24/589467124.db2.gz AUFXETLVKIIWKS-VXGBXAGGSA-N 1 2 247.342 1.949 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H](CO)CCF)[nH+]c1 ZINC000865910606 589468130 /nfs/dbraw/zinc/46/81/30/589468130.db2.gz FRLATPCLBPCUOM-SCZZXKLOSA-N 1 2 228.267 1.267 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@@H]2F)nc(N)[nH+]1 ZINC000866045588 589473796 /nfs/dbraw/zinc/47/37/96/589473796.db2.gz LXJMGKDLWDVPPD-JGVFFNPUSA-N 1 2 225.271 1.455 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC[C@@H]2F)[nH+]1 ZINC000866045588 589473797 /nfs/dbraw/zinc/47/37/97/589473797.db2.gz LXJMGKDLWDVPPD-JGVFFNPUSA-N 1 2 225.271 1.455 20 0 BDADLO Cc1nnc(NC[C@H]2c3ccccc3C[N@H+]2C)o1 ZINC000866194839 589479555 /nfs/dbraw/zinc/47/95/55/589479555.db2.gz KLIMAWZHWGQASC-LBPRGKRZSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1nnc(NC[C@H]2c3ccccc3C[N@@H+]2C)o1 ZINC000866194839 589479556 /nfs/dbraw/zinc/47/95/56/589479556.db2.gz KLIMAWZHWGQASC-LBPRGKRZSA-N 1 2 244.298 1.977 20 0 BDADLO CC1(C)C[C@H](O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000866227998 589481748 /nfs/dbraw/zinc/48/17/48/589481748.db2.gz YACMAGWQZJVCNZ-NSHDSACASA-N 1 2 247.342 1.951 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866232524 589481891 /nfs/dbraw/zinc/48/18/91/589481891.db2.gz NPBOWFVUZCRVAC-WCABBAIRSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867710855 589531798 /nfs/dbraw/zinc/53/17/98/589531798.db2.gz JNKFDTSKOFWUHV-NSHDSACASA-N 1 2 245.342 1.470 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867710855 589531799 /nfs/dbraw/zinc/53/17/99/589531799.db2.gz JNKFDTSKOFWUHV-NSHDSACASA-N 1 2 245.342 1.470 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)OC[C@@H]1CCCO1 ZINC000867756133 589532977 /nfs/dbraw/zinc/53/29/77/589532977.db2.gz GPAHCWPNKINCIZ-VIFPVBQESA-N 1 2 239.275 1.157 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868620960 589568233 /nfs/dbraw/zinc/56/82/33/589568233.db2.gz MYTRNANNDUNWNY-IPQKIJNHSA-N 1 2 223.251 1.708 20 0 BDADLO Cc1ccc(CNC(=O)NCc2c[nH+]cn2C)o1 ZINC000868623027 589568599 /nfs/dbraw/zinc/56/85/99/589568599.db2.gz IAXFKENKDRLSTO-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1=COCC1 ZINC000868676554 589572630 /nfs/dbraw/zinc/57/26/30/589572630.db2.gz BZBVYVPVHDZPHE-SECBINFHSA-N 1 2 235.287 1.384 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000868698075 589573843 /nfs/dbraw/zinc/57/38/43/589573843.db2.gz DXWFELRPNGFRQI-RDIPFHLNSA-N 1 2 245.326 1.216 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000868839048 589578961 /nfs/dbraw/zinc/57/89/61/589578961.db2.gz WQJUUUROTJIULO-FZMZJTMJSA-N 1 2 247.342 1.659 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000869059307 589585665 /nfs/dbraw/zinc/58/56/65/589585665.db2.gz UZXCBYCKHZPHAM-ZMLRMANQSA-N 1 2 249.314 1.234 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869222822 589592853 /nfs/dbraw/zinc/59/28/53/589592853.db2.gz KKNFNNZPEFCAOE-PSASIEDQSA-N 1 2 225.292 1.090 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CCSC1 ZINC000869595715 589615386 /nfs/dbraw/zinc/61/53/86/589615386.db2.gz HONNWGIMYVSNML-SNVBAGLBSA-N 1 2 239.344 1.143 20 0 BDADLO COc1cncc(NC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000869760302 589628413 /nfs/dbraw/zinc/62/84/13/589628413.db2.gz ZTTFIVLYPQDRQM-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO Cc1ccc(NC(=O)c2cn[nH]c2)c(N(C)C)[nH+]1 ZINC000122841820 589638782 /nfs/dbraw/zinc/63/87/82/589638782.db2.gz MTYXSKOWCILNFT-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000870220390 589650301 /nfs/dbraw/zinc/65/03/01/589650301.db2.gz VSHVVKMWKHPTIS-NUGNTBJXSA-N 1 2 234.299 1.755 20 0 BDADLO Cc1conc1C(=O)OCCCc1[nH+]ccn1C ZINC000870303934 589657144 /nfs/dbraw/zinc/65/71/44/589657144.db2.gz BTKNKQPPWVUDQD-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO Cc1conc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000870331509 589659204 /nfs/dbraw/zinc/65/92/04/589659204.db2.gz RRTBXJCHQBZXDE-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO Cc1conc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000870331509 589659202 /nfs/dbraw/zinc/65/92/02/589659202.db2.gz RRTBXJCHQBZXDE-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccoc1 ZINC000123319309 589688994 /nfs/dbraw/zinc/68/89/94/589688994.db2.gz POTVHCVNLKWVGN-UHFFFAOYSA-N 1 2 211.261 1.665 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccoc1 ZINC000123319309 589688995 /nfs/dbraw/zinc/68/89/95/589688995.db2.gz POTVHCVNLKWVGN-UHFFFAOYSA-N 1 2 211.261 1.665 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12C[C@H](C)CC(C)(C)C2 ZINC000871601847 589773454 /nfs/dbraw/zinc/77/34/54/589773454.db2.gz ODQVFIPAOKJBPW-ZWNOBZJWSA-N 1 2 224.348 1.981 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12C[C@H](C)CC(C)(C)C2 ZINC000871601847 589773455 /nfs/dbraw/zinc/77/34/55/589773455.db2.gz ODQVFIPAOKJBPW-ZWNOBZJWSA-N 1 2 224.348 1.981 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1CC12CCC2 ZINC000871628897 589778749 /nfs/dbraw/zinc/77/87/49/589778749.db2.gz ICPAZOAZNOWXDI-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)COC1CCC1 ZINC000871776155 589813533 /nfs/dbraw/zinc/81/35/33/589813533.db2.gz SIJBBAWXUSPKOB-MRVPVSSYSA-N 1 2 216.281 1.089 20 0 BDADLO NC(COC1CCC1)=[NH+]OC[C@@H]1CCCO1 ZINC000871778295 589814202 /nfs/dbraw/zinc/81/42/02/589814202.db2.gz BHTREAOSRQMPQD-JTQLQIEISA-N 1 2 228.292 1.233 20 0 BDADLO CCSCCO[NH+]=C(N)COC1CCC1 ZINC000871776911 589814393 /nfs/dbraw/zinc/81/43/93/589814393.db2.gz ZZBBZGMPWNUFBI-UHFFFAOYSA-N 1 2 232.349 1.807 20 0 BDADLO CC(C)(C)c1cn(C[C@@H](O)C2CC2)c[nH+]1 ZINC000871989079 589853377 /nfs/dbraw/zinc/85/33/77/589853377.db2.gz KECKDBBLLBRLRV-SNVBAGLBSA-N 1 2 208.305 1.952 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nonc2C)n(C)n1 ZINC000872134974 589878421 /nfs/dbraw/zinc/87/84/21/589878421.db2.gz AYBLHVKMRRMRHU-SECBINFHSA-N 1 2 235.291 1.271 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1c[nH]nc1C ZINC000872136271 589879275 /nfs/dbraw/zinc/87/92/75/589879275.db2.gz LBOGGLCHUVBETO-ZCFIWIBFSA-N 1 2 221.264 1.260 20 0 BDADLO CCn1ncc(N[C@H]2CCn3cc[nH+]c32)c1C ZINC000872139518 589880256 /nfs/dbraw/zinc/88/02/56/589880256.db2.gz KVRXQHOKSBERIB-JTQLQIEISA-N 1 2 231.303 1.965 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872294801 589907226 /nfs/dbraw/zinc/90/72/26/589907226.db2.gz BJDMJEXMZSLXEE-CMPLNLGQSA-N 1 2 245.326 1.516 20 0 BDADLO O=C1N(C[N@H+]2CC[C@H](F)C2)CCC12CCC2 ZINC000872615861 589956941 /nfs/dbraw/zinc/95/69/41/589956941.db2.gz RHUUQGYRGNQGPK-JTQLQIEISA-N 1 2 226.295 1.390 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@H](F)C2)CCC12CCC2 ZINC000872615861 589956944 /nfs/dbraw/zinc/95/69/44/589956944.db2.gz RHUUQGYRGNQGPK-JTQLQIEISA-N 1 2 226.295 1.390 20 0 BDADLO Cn1cnn(C[NH+]2CCC(C)(F)CC2)c1=S ZINC000872690702 589961679 /nfs/dbraw/zinc/96/16/79/589961679.db2.gz KXYLIZOVEAJCSY-UHFFFAOYSA-N 1 2 244.339 1.733 20 0 BDADLO CCC[C@](C)([NH2+]CCC1OCCO1)C(=O)OC ZINC000124343451 589978103 /nfs/dbraw/zinc/97/81/03/589978103.db2.gz AODVBMGYEBWFFL-LBPRGKRZSA-N 1 2 245.319 1.071 20 0 BDADLO CCn1ncc(NCc2[nH+]ccn2C)c1C ZINC000873195749 589991611 /nfs/dbraw/zinc/99/16/11/589991611.db2.gz JLJAWSDHKMGPGW-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO CC[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(C)=O ZINC000873361234 590030761 /nfs/dbraw/zinc/03/07/61/590030761.db2.gz HQSDGFJXWROFGC-MNOVXSKESA-N 1 2 227.304 1.382 20 0 BDADLO CC[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(C)=O ZINC000873361234 590030764 /nfs/dbraw/zinc/03/07/64/590030764.db2.gz HQSDGFJXWROFGC-MNOVXSKESA-N 1 2 227.304 1.382 20 0 BDADLO O=C([O-])C1CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000874055730 590088965 /nfs/dbraw/zinc/08/89/65/590088965.db2.gz FEJLHYNONDDRLV-UHFFFAOYSA-N 1 2 245.282 1.287 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC(O)CC2)[nH+]c1 ZINC000124899398 590098163 /nfs/dbraw/zinc/09/81/63/590098163.db2.gz YBGSHZAVPGMSBD-SECBINFHSA-N 1 2 222.288 1.096 20 0 BDADLO CCOCCN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124948455 590103067 /nfs/dbraw/zinc/10/30/67/590103067.db2.gz NZURGAHBOALIQH-JTQLQIEISA-N 1 2 224.304 1.608 20 0 BDADLO C[C@H](O)c1ccc(N(C)CC(C)(C)O)[nH+]c1 ZINC000124947128 590103192 /nfs/dbraw/zinc/10/31/92/590103192.db2.gz IDHVAFKJXSVGSA-VIFPVBQESA-N 1 2 224.304 1.342 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC23CCC3)c[nH+]1 ZINC000874783256 590134119 /nfs/dbraw/zinc/13/41/19/590134119.db2.gz KJLRJHQCFPSPMU-SECBINFHSA-N 1 2 205.261 1.391 20 0 BDADLO O=C(C1CC1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874895767 590153424 /nfs/dbraw/zinc/15/34/24/590153424.db2.gz YTQQLEIIXZKNLH-CYBMUJFWSA-N 1 2 248.301 1.709 20 0 BDADLO Cn1cnn(C[N@H+](C)[C@@H]2CCSC2)c1=S ZINC000125203338 590155714 /nfs/dbraw/zinc/15/57/14/590155714.db2.gz YUEMEXUWOWAUIB-MRVPVSSYSA-N 1 2 244.389 1.346 20 0 BDADLO Cn1cnn(C[N@@H+](C)[C@@H]2CCSC2)c1=S ZINC000125203338 590155716 /nfs/dbraw/zinc/15/57/16/590155716.db2.gz YUEMEXUWOWAUIB-MRVPVSSYSA-N 1 2 244.389 1.346 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCC2(CC2)C1 ZINC000888694243 590184206 /nfs/dbraw/zinc/18/42/06/590184206.db2.gz SQTYPAPZZNTRLB-NSHDSACASA-N 1 2 233.315 1.722 20 0 BDADLO Cc1nocc1NC(=O)NCc1c[nH+]cn1C ZINC000888716465 590194478 /nfs/dbraw/zinc/19/44/78/590194478.db2.gz JLAUXCMRZQZPAV-UHFFFAOYSA-N 1 2 235.247 1.038 20 0 BDADLO COc1ccccc1C[N@H+](C)[C@H]1CCOC1=O ZINC000126031236 590215601 /nfs/dbraw/zinc/21/56/01/590215601.db2.gz MJTJVUDZHQZANK-NSHDSACASA-N 1 2 235.283 1.443 20 0 BDADLO COc1ccccc1C[N@@H+](C)[C@H]1CCOC1=O ZINC000126031236 590215602 /nfs/dbraw/zinc/21/56/02/590215602.db2.gz MJTJVUDZHQZANK-NSHDSACASA-N 1 2 235.283 1.443 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3c(cnn3C)c2)CCO1 ZINC000876557994 590216004 /nfs/dbraw/zinc/21/60/04/590216004.db2.gz NLAAOWJCIMTSLP-SNVBAGLBSA-N 1 2 246.314 1.189 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3c(cnn3C)c2)CCO1 ZINC000876557994 590216006 /nfs/dbraw/zinc/21/60/06/590216006.db2.gz NLAAOWJCIMTSLP-SNVBAGLBSA-N 1 2 246.314 1.189 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)c(F)c1 ZINC000876640339 590225266 /nfs/dbraw/zinc/22/52/66/590225266.db2.gz RDHDCGDCKXTKBY-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)c(F)c1 ZINC000876640339 590225267 /nfs/dbraw/zinc/22/52/67/590225267.db2.gz RDHDCGDCKXTKBY-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876660056 590227427 /nfs/dbraw/zinc/22/74/27/590227427.db2.gz MKYUOAHOBTUZCN-ZETCQYMHSA-N 1 2 232.736 1.611 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876660056 590227429 /nfs/dbraw/zinc/22/74/29/590227429.db2.gz MKYUOAHOBTUZCN-ZETCQYMHSA-N 1 2 232.736 1.611 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]CCS(C)(=O)=O)s1 ZINC000126101800 590230390 /nfs/dbraw/zinc/23/03/90/590230390.db2.gz RVIYFWRNQBZTMP-QMMMGPOBSA-N 1 2 248.373 1.147 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H](CC(C)C)OC ZINC000877476282 590336044 /nfs/dbraw/zinc/33/60/44/590336044.db2.gz AGWPWVDUFKIAGU-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO c1nc(C[NH+]2CC3(CC3)C2)cc2c1OCCO2 ZINC000877556714 590358190 /nfs/dbraw/zinc/35/81/90/590358190.db2.gz XXXROWKTZIEMHJ-UHFFFAOYSA-N 1 2 232.283 1.449 20 0 BDADLO COc1cncc(C[NH+]2CC(OC)C2)c1C ZINC000877579113 590364541 /nfs/dbraw/zinc/36/45/41/590364541.db2.gz UWHLEPAYDYZBAJ-UHFFFAOYSA-N 1 2 222.288 1.229 20 0 BDADLO CCCn1cc(C[NH+]2CC3(CC(F)C3)C2)nn1 ZINC000877581108 590365201 /nfs/dbraw/zinc/36/52/01/590365201.db2.gz NTTFHSJUYJSLHX-UHFFFAOYSA-N 1 2 238.310 1.622 20 0 BDADLO CCc1ncc(C[NH+]2CC(C)(O)C2)s1 ZINC000877581109 590365906 /nfs/dbraw/zinc/36/59/06/590365906.db2.gz NWEHVBPXFJSSKS-UHFFFAOYSA-N 1 2 212.318 1.272 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H](C)C1CCCCC1 ZINC000877614145 590373895 /nfs/dbraw/zinc/37/38/95/590373895.db2.gz VJWZPBLNXQDJGT-NSHDSACASA-N 1 2 242.363 1.860 20 0 BDADLO CC[C@@H]1C[C@H](C[N@@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632633 590378755 /nfs/dbraw/zinc/37/87/55/590378755.db2.gz ICNCJPZOCCSBIB-DGCLKSJQSA-N 1 2 249.358 1.941 20 0 BDADLO CC[C@@H]1C[C@H](C[N@H+]2Cc3cnn(C)c3C2)CCO1 ZINC000877632633 590378758 /nfs/dbraw/zinc/37/87/58/590378758.db2.gz ICNCJPZOCCSBIB-DGCLKSJQSA-N 1 2 249.358 1.941 20 0 BDADLO COc1cnc(F)c(CNCc2[nH]cc[nH+]2)c1 ZINC000877672469 590389379 /nfs/dbraw/zinc/38/93/79/590389379.db2.gz FRRAZYHOXYQULW-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1csnn1 ZINC000877682585 590391245 /nfs/dbraw/zinc/39/12/45/590391245.db2.gz PVNAAWVTFOQLMA-BDAKNGLRSA-N 1 2 215.297 1.908 20 0 BDADLO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cn[nH]c1C)C2 ZINC000877722865 590401672 /nfs/dbraw/zinc/40/16/72/590401672.db2.gz NONYOYGYJOAKKZ-MDZLAQPJSA-N 1 2 249.314 1.149 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737231 590405443 /nfs/dbraw/zinc/40/54/43/590405443.db2.gz HKVODKGZXJJJHD-IUCAKERBSA-N 1 2 241.385 1.723 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737231 590405445 /nfs/dbraw/zinc/40/54/45/590405445.db2.gz HKVODKGZXJJJHD-IUCAKERBSA-N 1 2 241.385 1.723 20 0 BDADLO CC1(C)C[C@@H](O)C[N@H+](Cc2csnn2)C1 ZINC000877751448 590415810 /nfs/dbraw/zinc/41/58/10/590415810.db2.gz GGDGEQNJOWHAFL-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[C@@H](O)C[N@@H+](Cc2csnn2)C1 ZINC000877751448 590415813 /nfs/dbraw/zinc/41/58/13/590415813.db2.gz GGDGEQNJOWHAFL-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nocc1C[NH+]1CC(OC(C)(C)C)C1 ZINC000877770320 590419482 /nfs/dbraw/zinc/41/94/82/590419482.db2.gz SHCDRVZKULXJCO-UHFFFAOYSA-N 1 2 224.304 1.982 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccc(F)nc1 ZINC000877780070 590423071 /nfs/dbraw/zinc/42/30/71/590423071.db2.gz JRJKYGHNTGZQLU-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1ccc(F)nc1 ZINC000877780070 590423072 /nfs/dbraw/zinc/42/30/72/590423072.db2.gz JRJKYGHNTGZQLU-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO Cc1nnc(CCOc2cc[nH+]cc2)o1 ZINC000877880972 590437026 /nfs/dbraw/zinc/43/70/26/590437026.db2.gz AZGCTYKPUUXPHM-UHFFFAOYSA-N 1 2 205.217 1.395 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000877921291 590447766 /nfs/dbraw/zinc/44/77/66/590447766.db2.gz GLCQNXXOMKTAEE-CYBMUJFWSA-N 1 2 248.330 1.923 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000877921291 590447767 /nfs/dbraw/zinc/44/77/67/590447767.db2.gz GLCQNXXOMKTAEE-CYBMUJFWSA-N 1 2 248.330 1.923 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000877936377 590451864 /nfs/dbraw/zinc/45/18/64/590451864.db2.gz YFHDJHWYYLCKAZ-JTQLQIEISA-N 1 2 236.315 1.510 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000877936377 590451866 /nfs/dbraw/zinc/45/18/66/590451866.db2.gz YFHDJHWYYLCKAZ-JTQLQIEISA-N 1 2 236.315 1.510 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nocc1C ZINC000877964277 590460129 /nfs/dbraw/zinc/46/01/29/590460129.db2.gz PDRTZADKTJDGTN-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nocc1C ZINC000877964277 590460131 /nfs/dbraw/zinc/46/01/31/590460131.db2.gz PDRTZADKTJDGTN-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO C(c1nc2c(o1)CCCC2)[N@@H+]1CCCOCC1 ZINC000878014379 590471300 /nfs/dbraw/zinc/47/13/00/590471300.db2.gz LJKJOFOMOVYKOX-UHFFFAOYSA-N 1 2 236.315 1.776 20 0 BDADLO C(c1nc2c(o1)CCCC2)[N@H+]1CCCOCC1 ZINC000878014379 590471303 /nfs/dbraw/zinc/47/13/03/590471303.db2.gz LJKJOFOMOVYKOX-UHFFFAOYSA-N 1 2 236.315 1.776 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000878028615 590474100 /nfs/dbraw/zinc/47/41/00/590474100.db2.gz FIAPEWJUQVOJLC-NSHDSACASA-N 1 2 245.363 1.667 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000878028615 590474101 /nfs/dbraw/zinc/47/41/01/590474101.db2.gz FIAPEWJUQVOJLC-NSHDSACASA-N 1 2 245.363 1.667 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000878040752 590478499 /nfs/dbraw/zinc/47/84/99/590478499.db2.gz NJVWEPDCCQSEHV-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000878040752 590478501 /nfs/dbraw/zinc/47/85/01/590478501.db2.gz NJVWEPDCCQSEHV-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878040485 590478660 /nfs/dbraw/zinc/47/86/60/590478660.db2.gz LWJKTJOPSVPPJF-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878040485 590478661 /nfs/dbraw/zinc/47/86/61/590478661.db2.gz LWJKTJOPSVPPJF-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)NCCn1cc[nH+]c1 ZINC000878222221 590526014 /nfs/dbraw/zinc/52/60/14/590526014.db2.gz CAGXEALFXIAVBY-RYUDHWBXSA-N 1 2 233.315 1.436 20 0 BDADLO NC(=O)C1([NH2+]Cc2coc(C3CC3)n2)CCCC1 ZINC000878255409 590529882 /nfs/dbraw/zinc/52/98/82/590529882.db2.gz HZMVOVKMQAUZFC-UHFFFAOYSA-N 1 2 249.314 1.440 20 0 BDADLO C[C@@H]1C[NH+](Cc2cncnc2)C[C@@H](C)O1 ZINC000127007831 590532835 /nfs/dbraw/zinc/53/28/35/590532835.db2.gz VUESGDKSMGAYDI-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCc3c[nH]nc3C2)OC1 ZINC000878290574 590535203 /nfs/dbraw/zinc/53/52/03/590535203.db2.gz AWVMGOKIROFJIH-GFCCVEGCSA-N 1 2 249.358 1.973 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCc3c[nH]nc3C2)OC1 ZINC000878290574 590535206 /nfs/dbraw/zinc/53/52/06/590535206.db2.gz AWVMGOKIROFJIH-GFCCVEGCSA-N 1 2 249.358 1.973 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCc3cn[nH]c3C2)OC1 ZINC000878290574 590535208 /nfs/dbraw/zinc/53/52/08/590535208.db2.gz AWVMGOKIROFJIH-GFCCVEGCSA-N 1 2 249.358 1.973 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCc3cn[nH]c3C2)OC1 ZINC000878290574 590535209 /nfs/dbraw/zinc/53/52/09/590535209.db2.gz AWVMGOKIROFJIH-GFCCVEGCSA-N 1 2 249.358 1.973 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3c[nH]nc3C2)OC1 ZINC000878290575 590535410 /nfs/dbraw/zinc/53/54/10/590535410.db2.gz AWVMGOKIROFJIH-LBPRGKRZSA-N 1 2 249.358 1.973 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCc3c[nH]nc3C2)OC1 ZINC000878290575 590535411 /nfs/dbraw/zinc/53/54/11/590535411.db2.gz AWVMGOKIROFJIH-LBPRGKRZSA-N 1 2 249.358 1.973 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3cn[nH]c3C2)OC1 ZINC000878290575 590535412 /nfs/dbraw/zinc/53/54/12/590535412.db2.gz AWVMGOKIROFJIH-LBPRGKRZSA-N 1 2 249.358 1.973 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCc3cn[nH]c3C2)OC1 ZINC000878290575 590535413 /nfs/dbraw/zinc/53/54/13/590535413.db2.gz AWVMGOKIROFJIH-LBPRGKRZSA-N 1 2 249.358 1.973 20 0 BDADLO COC(=O)[C@](C)([NH2+]CC[C@@H](O)C(C)C)C1CC1 ZINC000878331236 590548233 /nfs/dbraw/zinc/54/82/33/590548233.db2.gz STCUBWMNLPFDGD-DGCLKSJQSA-N 1 2 243.347 1.325 20 0 BDADLO CC[C@@](C)([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878332362 590548331 /nfs/dbraw/zinc/54/83/31/590548331.db2.gz CYGZXEPXXRZDQH-CMPLNLGQSA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@H](C)C(C)(C)C)CCOC1 ZINC000878333657 590548866 /nfs/dbraw/zinc/54/88/66/590548866.db2.gz AHAXEBPXBPUVBN-GXFFZTMASA-N 1 2 243.347 1.590 20 0 BDADLO CCOCC[N@H+](C)Cc1nccn1CC(F)F ZINC000878341014 590552205 /nfs/dbraw/zinc/55/22/05/590552205.db2.gz RAEQXIZACPAOEZ-UHFFFAOYSA-N 1 2 247.289 1.617 20 0 BDADLO CCOCC[N@@H+](C)Cc1nccn1CC(F)F ZINC000878341014 590552208 /nfs/dbraw/zinc/55/22/08/590552208.db2.gz RAEQXIZACPAOEZ-UHFFFAOYSA-N 1 2 247.289 1.617 20 0 BDADLO Cc1coc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000878367759 590554379 /nfs/dbraw/zinc/55/43/79/590554379.db2.gz BMYPFUMIGNJIOW-UHFFFAOYSA-N 1 2 247.298 1.995 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CCC(F)(F)C1 ZINC000878379420 590556584 /nfs/dbraw/zinc/55/65/84/590556584.db2.gz KNGSZEDHPXJYLD-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CCC(F)(F)C1 ZINC000878379420 590556586 /nfs/dbraw/zinc/55/65/86/590556586.db2.gz KNGSZEDHPXJYLD-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878417597 590563282 /nfs/dbraw/zinc/56/32/82/590563282.db2.gz OOLXIXCRXQRBMA-TUAOUCFPSA-N 1 2 245.363 1.571 20 0 BDADLO C[N@H+](Cc1nc2c(o1)CCCC2)C1CC(O)C1 ZINC000878430823 590566778 /nfs/dbraw/zinc/56/67/78/590566778.db2.gz UKPUZUXZMXQLTF-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO C[N@@H+](Cc1nc2c(o1)CCCC2)C1CC(O)C1 ZINC000878430823 590566780 /nfs/dbraw/zinc/56/67/80/590566780.db2.gz UKPUZUXZMXQLTF-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000878492843 590579780 /nfs/dbraw/zinc/57/97/80/590579780.db2.gz SVCMVPVAHSDWPE-HOSYDEDBSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000878492843 590579783 /nfs/dbraw/zinc/57/97/83/590579783.db2.gz SVCMVPVAHSDWPE-HOSYDEDBSA-N 1 2 249.314 1.069 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878534007 590587685 /nfs/dbraw/zinc/58/76/85/590587685.db2.gz VBFAHFHSORWJFU-IUCAKERBSA-N 1 2 249.314 1.238 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCOC1=O ZINC000878631361 590597922 /nfs/dbraw/zinc/59/79/22/590597922.db2.gz FDEJOKDVGUULHJ-ZPFDUUQYSA-N 1 2 239.315 1.239 20 0 BDADLO CCNC(=O)[C@@H]([NH2+]Cc1nocc1C)C(C)C ZINC000878650930 590601979 /nfs/dbraw/zinc/60/19/79/590601979.db2.gz ZVVIMJJNXLZQJK-NSHDSACASA-N 1 2 239.319 1.233 20 0 BDADLO CC[C@@H](C)N1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC000878684715 590609357 /nfs/dbraw/zinc/60/93/57/590609357.db2.gz YMRWCVCIXYZHGG-ZIAGYGMSSA-N 1 2 242.407 1.810 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878794163 590624185 /nfs/dbraw/zinc/62/41/85/590624185.db2.gz UDPRMZAVLYEILT-LLVKDONJSA-N 1 2 242.750 1.824 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878794163 590624186 /nfs/dbraw/zinc/62/41/86/590624186.db2.gz UDPRMZAVLYEILT-LLVKDONJSA-N 1 2 242.750 1.824 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878813436 590627088 /nfs/dbraw/zinc/62/70/88/590627088.db2.gz XDCKLJPWWYHLHQ-OCAPTIKFSA-N 1 2 214.215 1.680 20 0 BDADLO Cc1conc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878813436 590627089 /nfs/dbraw/zinc/62/70/89/590627089.db2.gz XDCKLJPWWYHLHQ-OCAPTIKFSA-N 1 2 214.215 1.680 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000878850447 590632980 /nfs/dbraw/zinc/63/29/80/590632980.db2.gz XHRCTIBLESGBSS-AAEUAGOBSA-N 1 2 245.326 1.703 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCC2(CCC2)O1 ZINC000878885026 590640312 /nfs/dbraw/zinc/64/03/12/590640312.db2.gz SSRBMVFGBMKVRX-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CCC2(CCC2)O1 ZINC000878885026 590640317 /nfs/dbraw/zinc/64/03/17/590640317.db2.gz SSRBMVFGBMKVRX-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CCC2(CCC2)O1 ZINC000878885026 590640320 /nfs/dbraw/zinc/64/03/20/590640320.db2.gz SSRBMVFGBMKVRX-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CCC2(CCC2)O1 ZINC000878885026 590640323 /nfs/dbraw/zinc/64/03/23/590640323.db2.gz SSRBMVFGBMKVRX-GFCCVEGCSA-N 1 2 235.331 1.943 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2ccns2)cn1 ZINC000878902164 590643582 /nfs/dbraw/zinc/64/35/82/590643582.db2.gz ZENFPVDIJLQPBO-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2ccns2)cn1 ZINC000878902164 590643584 /nfs/dbraw/zinc/64/35/84/590643584.db2.gz ZENFPVDIJLQPBO-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ccc(NC(=O)N2CC=C[C@H]2CO)c(C)[nH+]1 ZINC000878908985 590644642 /nfs/dbraw/zinc/64/46/42/590644642.db2.gz FQYOKUVHDKITPL-NSHDSACASA-N 1 2 247.298 1.463 20 0 BDADLO Cc1conc1C[N@@H+](C)CC1=CCCOC1 ZINC000878937067 590654775 /nfs/dbraw/zinc/65/47/75/590654775.db2.gz NDJNGAAKFBJVNB-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO Cc1conc1C[N@H+](C)CC1=CCCOC1 ZINC000878937067 590654778 /nfs/dbraw/zinc/65/47/78/590654778.db2.gz NDJNGAAKFBJVNB-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000878967185 590661477 /nfs/dbraw/zinc/66/14/77/590661477.db2.gz FWZNVFSQWYUKEB-HTQZYQBOSA-N 1 2 240.130 1.485 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000878967185 590661484 /nfs/dbraw/zinc/66/14/84/590661484.db2.gz FWZNVFSQWYUKEB-HTQZYQBOSA-N 1 2 240.130 1.485 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC000878967868 590662947 /nfs/dbraw/zinc/66/29/47/590662947.db2.gz KNZYRKCAZYECQX-CHWSQXEVSA-N 1 2 237.299 1.025 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC000878967868 590662951 /nfs/dbraw/zinc/66/29/51/590662951.db2.gz KNZYRKCAZYECQX-CHWSQXEVSA-N 1 2 237.299 1.025 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000879057429 590688351 /nfs/dbraw/zinc/68/83/51/590688351.db2.gz LULXGQZBMRYWSM-GFCCVEGCSA-N 1 2 234.299 1.432 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000879057429 590688357 /nfs/dbraw/zinc/68/83/57/590688357.db2.gz LULXGQZBMRYWSM-GFCCVEGCSA-N 1 2 234.299 1.432 20 0 BDADLO Cc1cc(NC(=O)N2CCC(F)CC2)cc[nH+]1 ZINC000879071979 590691450 /nfs/dbraw/zinc/69/14/50/590691450.db2.gz ZNXPVQYUIXVBLE-UHFFFAOYSA-N 1 2 237.278 1.778 20 0 BDADLO CSC1CC[NH+](Cc2cnsn2)CC1 ZINC000879099063 590697228 /nfs/dbraw/zinc/69/72/28/590697228.db2.gz HVYKWEZFNCTBSU-UHFFFAOYSA-N 1 2 229.374 1.866 20 0 BDADLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C/C=C\Cl ZINC000879154234 590705191 /nfs/dbraw/zinc/70/51/91/590705191.db2.gz ONWHOASMFMYWPI-KGASVMDVSA-N 1 2 247.722 1.391 20 0 BDADLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C/C=C\Cl ZINC000879154234 590705192 /nfs/dbraw/zinc/70/51/92/590705192.db2.gz ONWHOASMFMYWPI-KGASVMDVSA-N 1 2 247.722 1.391 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@H]1CCOC1=O ZINC000879186383 590710459 /nfs/dbraw/zinc/71/04/59/590710459.db2.gz JITIXQAAJZXQRO-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@H]1CCOC1=O ZINC000879186383 590710462 /nfs/dbraw/zinc/71/04/62/590710462.db2.gz JITIXQAAJZXQRO-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1cn[nH]c1 ZINC000879189013 590712556 /nfs/dbraw/zinc/71/25/56/590712556.db2.gz WQJYDOQESOLLPY-UHFFFAOYSA-N 1 2 219.292 1.116 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cn[nH]c1 ZINC000879189013 590712560 /nfs/dbraw/zinc/71/25/60/590712560.db2.gz WQJYDOQESOLLPY-UHFFFAOYSA-N 1 2 219.292 1.116 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](CC(=O)OCC(C)C)C1 ZINC000879322732 590743266 /nfs/dbraw/zinc/74/32/66/590743266.db2.gz VMTYMAKELNNVJZ-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](CC(=O)OCC(C)C)C1 ZINC000879322732 590743270 /nfs/dbraw/zinc/74/32/70/590743270.db2.gz VMTYMAKELNNVJZ-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2csnn2)C1 ZINC000879325893 590746359 /nfs/dbraw/zinc/74/63/59/590746359.db2.gz PALRVADSDRDTFD-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2csnn2)C1 ZINC000879325893 590746362 /nfs/dbraw/zinc/74/63/62/590746362.db2.gz PALRVADSDRDTFD-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CCOC(=O)[C@H]1C[N@H+](CC(C)=O)CCC1(F)F ZINC000879367497 590753506 /nfs/dbraw/zinc/75/35/06/590753506.db2.gz IOWTXLDNQSPVEX-SECBINFHSA-N 1 2 249.257 1.096 20 0 BDADLO CCOC(=O)[C@H]1C[N@@H+](CC(C)=O)CCC1(F)F ZINC000879367497 590753508 /nfs/dbraw/zinc/75/35/08/590753508.db2.gz IOWTXLDNQSPVEX-SECBINFHSA-N 1 2 249.257 1.096 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623983 590838496 /nfs/dbraw/zinc/83/84/96/590838496.db2.gz KDFUTIFJBSWALY-BDAKNGLRSA-N 1 2 241.360 1.692 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623983 590838497 /nfs/dbraw/zinc/83/84/97/590838497.db2.gz KDFUTIFJBSWALY-BDAKNGLRSA-N 1 2 241.360 1.692 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H](O)CC(C)(C)C2)no1 ZINC000879624461 590838896 /nfs/dbraw/zinc/83/88/96/590838896.db2.gz UQMJPHUCNWGIEY-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H](O)CC(C)(C)C2)no1 ZINC000879624461 590838899 /nfs/dbraw/zinc/83/88/99/590838899.db2.gz UQMJPHUCNWGIEY-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879668263 590846297 /nfs/dbraw/zinc/84/62/97/590846297.db2.gz NYUSHOZFWZEXOM-HLTSFMKQSA-N 1 2 249.232 1.789 20 0 BDADLO C(C[N@@H+]1OC2CCC1CC2)C1OCCO1 ZINC000879800942 590877773 /nfs/dbraw/zinc/87/77/73/590877773.db2.gz XZDSYXVOJLSVFN-UHFFFAOYSA-N 1 2 213.277 1.308 20 0 BDADLO C(C[N@H+]1OC2CCC1CC2)C1OCCO1 ZINC000879800942 590877774 /nfs/dbraw/zinc/87/77/74/590877774.db2.gz XZDSYXVOJLSVFN-UHFFFAOYSA-N 1 2 213.277 1.308 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCC(C)(C)O ZINC000879980980 590902457 /nfs/dbraw/zinc/90/24/57/590902457.db2.gz MUDACVAWPXGVLL-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCC(C)(C)O ZINC000879980981 590902686 /nfs/dbraw/zinc/90/26/86/590902686.db2.gz MUDACVAWPXGVLL-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCCCO ZINC000879983565 590903260 /nfs/dbraw/zinc/90/32/60/590903260.db2.gz MLVZOUZXTACOLK-LLVKDONJSA-N 1 2 229.320 1.080 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](O)C1CC1 ZINC000879981863 590904096 /nfs/dbraw/zinc/90/40/96/590904096.db2.gz VXTVNKLTLBPKJN-NEPJUHHUSA-N 1 2 241.331 1.079 20 0 BDADLO FC[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000880230333 590961007 /nfs/dbraw/zinc/96/10/07/590961007.db2.gz JUUZKXTZKNSCHD-VIFPVBQESA-N 1 2 239.298 1.190 20 0 BDADLO FC[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000880230333 590961014 /nfs/dbraw/zinc/96/10/14/590961014.db2.gz JUUZKXTZKNSCHD-VIFPVBQESA-N 1 2 239.298 1.190 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)COC2CC2)c2[nH+]ccn21 ZINC000880226722 590961417 /nfs/dbraw/zinc/96/14/17/590961417.db2.gz BQCFVBJSNKRXGA-PSASIEDQSA-N 1 2 235.287 1.184 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(F)CC1 ZINC000880239836 590973282 /nfs/dbraw/zinc/97/32/82/590973282.db2.gz GEBJMMUPHTYUFF-QMMMGPOBSA-N 1 2 239.298 1.503 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880293471 590987987 /nfs/dbraw/zinc/98/79/87/590987987.db2.gz LHMKGBHELKRJBV-MRVPVSSYSA-N 1 2 213.256 1.423 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](CF)C2)no1 ZINC000880293471 590987990 /nfs/dbraw/zinc/98/79/90/590987990.db2.gz LHMKGBHELKRJBV-MRVPVSSYSA-N 1 2 213.256 1.423 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880299357 590993833 /nfs/dbraw/zinc/99/38/33/590993833.db2.gz RUKRZGGTHVRKAP-CBAPKCEASA-N 1 2 213.256 1.730 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880299357 590993835 /nfs/dbraw/zinc/99/38/35/590993835.db2.gz RUKRZGGTHVRKAP-CBAPKCEASA-N 1 2 213.256 1.730 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880299359 590993991 /nfs/dbraw/zinc/99/39/91/590993991.db2.gz RUKRZGGTHVRKAP-IONNQARKSA-N 1 2 213.256 1.730 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](CF)C2)no1 ZINC000880299359 590993992 /nfs/dbraw/zinc/99/39/92/590993992.db2.gz RUKRZGGTHVRKAP-IONNQARKSA-N 1 2 213.256 1.730 20 0 BDADLO FC[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000880300820 590996722 /nfs/dbraw/zinc/99/67/22/590996722.db2.gz XGWFRHCOFGYZCQ-SSDOTTSWSA-N 1 2 201.270 1.330 20 0 BDADLO FC[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000880300820 590996725 /nfs/dbraw/zinc/99/67/25/590996725.db2.gz XGWFRHCOFGYZCQ-SSDOTTSWSA-N 1 2 201.270 1.330 20 0 BDADLO COC(=O)c1ccc2c(c1)CC[N@@H+](CCF)C2 ZINC000880352641 591009227 /nfs/dbraw/zinc/00/92/27/591009227.db2.gz PSCHCBZKMZCMIC-UHFFFAOYSA-N 1 2 237.274 1.801 20 0 BDADLO COC(=O)c1ccc2c(c1)CC[N@H+](CCF)C2 ZINC000880352641 591009229 /nfs/dbraw/zinc/00/92/29/591009229.db2.gz PSCHCBZKMZCMIC-UHFFFAOYSA-N 1 2 237.274 1.801 20 0 BDADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1cn(C)nn1 ZINC000880376888 591016091 /nfs/dbraw/zinc/01/60/91/591016091.db2.gz KUOJIXRCYMQXBQ-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cn(C)nn1 ZINC000880376888 591016093 /nfs/dbraw/zinc/01/60/93/591016093.db2.gz KUOJIXRCYMQXBQ-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880434352 591036217 /nfs/dbraw/zinc/03/62/17/591036217.db2.gz BVTMDLIQYNIIOU-NXEZZACHSA-N 1 2 237.290 1.767 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880434352 591036221 /nfs/dbraw/zinc/03/62/21/591036221.db2.gz BVTMDLIQYNIIOU-NXEZZACHSA-N 1 2 237.290 1.767 20 0 BDADLO Cc1cccn2cc(C[N@@H+]3CC=C[C@H]3CO)nc12 ZINC000880485092 591058528 /nfs/dbraw/zinc/05/85/28/591058528.db2.gz DRLKMDRGIWITKA-ZDUSSCGKSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1cccn2cc(C[N@H+]3CC=C[C@H]3CO)nc12 ZINC000880485092 591058531 /nfs/dbraw/zinc/05/85/31/591058531.db2.gz DRLKMDRGIWITKA-ZDUSSCGKSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC=C[C@@H]1CO ZINC000880485675 591061221 /nfs/dbraw/zinc/06/12/21/591061221.db2.gz GTMKZCDAJZLLMJ-SECBINFHSA-N 1 2 241.722 1.115 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+]1CC=C[C@@H]1CO ZINC000880485675 591061226 /nfs/dbraw/zinc/06/12/26/591061226.db2.gz GTMKZCDAJZLLMJ-SECBINFHSA-N 1 2 241.722 1.115 20 0 BDADLO Cc1cc(C[N@@H+]2CC=C[C@H]2CO)cc(Cl)n1 ZINC000880490822 591067760 /nfs/dbraw/zinc/06/77/60/591067760.db2.gz DLADOPSJEAEDRT-NSHDSACASA-N 1 2 238.718 1.776 20 0 BDADLO Cc1cc(C[N@H+]2CC=C[C@H]2CO)cc(Cl)n1 ZINC000880490822 591067766 /nfs/dbraw/zinc/06/77/66/591067766.db2.gz DLADOPSJEAEDRT-NSHDSACASA-N 1 2 238.718 1.776 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2CC=C[C@H]2CO)no1 ZINC000880492094 591069335 /nfs/dbraw/zinc/06/93/35/591069335.db2.gz NIANIKQAVUUVKI-NSHDSACASA-N 1 2 236.315 1.705 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2CC=C[C@H]2CO)no1 ZINC000880492094 591069337 /nfs/dbraw/zinc/06/93/37/591069337.db2.gz NIANIKQAVUUVKI-NSHDSACASA-N 1 2 236.315 1.705 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)[nH]n1 ZINC000880503210 591077401 /nfs/dbraw/zinc/07/74/01/591077401.db2.gz NZXJMDHEBPQRHL-NEPJUHHUSA-N 1 2 221.304 1.601 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880510109 591082959 /nfs/dbraw/zinc/08/29/59/591082959.db2.gz YVZCNEQPJWULQZ-UMNHJUIQSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1nc(NC[C@@H](O)c2ccncc2)cc[nH+]1 ZINC000128652003 591146385 /nfs/dbraw/zinc/14/63/85/591146385.db2.gz MNTYUATYSRORNM-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO COc1cccc([C@H]2CN(C(C)=O)CC[NH2+]2)c1 ZINC000211217203 591148099 /nfs/dbraw/zinc/14/80/99/591148099.db2.gz IVJLEUTUHGHOER-CYBMUJFWSA-N 1 2 234.299 1.188 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC000888852226 591153985 /nfs/dbraw/zinc/15/39/85/591153985.db2.gz LTTYCYRFGXKEOR-LLVKDONJSA-N 1 2 248.326 1.956 20 0 BDADLO COCC[N@H+](C)Cc1cn(C/C=C\Cl)nn1 ZINC000881427214 591204299 /nfs/dbraw/zinc/20/42/99/591204299.db2.gz FUADAVKDYDFHHZ-ARJAWSKDSA-N 1 2 244.726 1.109 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C/C=C\Cl)nn1 ZINC000881427214 591204302 /nfs/dbraw/zinc/20/43/02/591204302.db2.gz FUADAVKDYDFHHZ-ARJAWSKDSA-N 1 2 244.726 1.109 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000881480920 591211400 /nfs/dbraw/zinc/21/14/00/591211400.db2.gz ACCLGSDRNAPSDY-VHSXEESVSA-N 1 2 219.288 1.066 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CC1(C)C ZINC000881544054 591236158 /nfs/dbraw/zinc/23/61/58/591236158.db2.gz SAPXMAYEBCGCAV-ZDUSSCGKSA-N 1 2 235.331 1.515 20 0 BDADLO C=C/C=C/CCNC(=O)CCCn1cc[nH+]c1 ZINC000881565005 591238227 /nfs/dbraw/zinc/23/82/27/591238227.db2.gz HFDVJASTJHRHFE-ONEGZZNKSA-N 1 2 233.315 1.912 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](CF)C1 ZINC000881669792 591262843 /nfs/dbraw/zinc/26/28/43/591262843.db2.gz XFZXCMZLWSCXPU-LLVKDONJSA-N 1 2 239.294 1.481 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@H](CF)C1)n1cc[nH+]c1 ZINC000881676107 591265342 /nfs/dbraw/zinc/26/53/42/591265342.db2.gz FXQHKQLBPNLAHF-MNOVXSKESA-N 1 2 239.294 1.652 20 0 BDADLO Cc1[nH+]cnc(N(C)Cc2cnn(C)c2)c1C ZINC000881771368 591270315 /nfs/dbraw/zinc/27/03/15/591270315.db2.gz ROEPHDQCFJIDHY-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)C(F)(F)F)c1C ZINC000881791001 591270945 /nfs/dbraw/zinc/27/09/45/591270945.db2.gz CPMUFXZZZXNJHD-SSDOTTSWSA-N 1 2 235.209 1.429 20 0 BDADLO CCC[C@H](O)CNc1nc[nH+]c(C)c1C ZINC000881978248 591284579 /nfs/dbraw/zinc/28/45/79/591284579.db2.gz ZTMVTUNEHXAQIB-JTQLQIEISA-N 1 2 209.293 1.666 20 0 BDADLO CO[C@H](CNc1cc[nH+]cc1F)C(F)(F)F ZINC000881981314 591285816 /nfs/dbraw/zinc/28/58/16/591285816.db2.gz JLMCWUQQGIPHHC-MRVPVSSYSA-N 1 2 238.184 1.632 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)CC[S@@](C)=O)c1C ZINC000882032570 591288400 /nfs/dbraw/zinc/28/84/00/591288400.db2.gz LLIJJFIEAYAGES-ZKANADHPSA-N 1 2 241.360 1.662 20 0 BDADLO Cc1[nH+]cnc(N(C)CC[C@@H](C)O)c1C ZINC000882024201 591288937 /nfs/dbraw/zinc/28/89/37/591288937.db2.gz RWMJAYVGIHBNQI-MRVPVSSYSA-N 1 2 209.293 1.301 20 0 BDADLO Nc1[nH+]cccc1CSC1=NCCS1 ZINC000882033782 591289622 /nfs/dbraw/zinc/28/96/22/591289622.db2.gz JYSZMTQWDCEMGV-UHFFFAOYSA-N 1 2 225.342 2.000 20 0 BDADLO Cc1[nH+]cnc(N2CCC(C)(O)CC2)c1C ZINC000882089389 591295871 /nfs/dbraw/zinc/29/58/71/591295871.db2.gz RTPRMMDDSZEVFY-UHFFFAOYSA-N 1 2 221.304 1.445 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@H]2CCC[C@H]2O)c1C ZINC000882133576 591303268 /nfs/dbraw/zinc/30/32/68/591303268.db2.gz VOCOXRRIGIYAQT-VXGBXAGGSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H]([C@H](C)O)C2)c1C ZINC000882168289 591310534 /nfs/dbraw/zinc/31/05/34/591310534.db2.gz FIJFRFAWUXGDDO-QWRGUYRKSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](C)c2nncn2C)c1C ZINC000882240127 591319700 /nfs/dbraw/zinc/31/97/00/591319700.db2.gz VAHQSNODLBIPQI-MRVPVSSYSA-N 1 2 246.318 1.438 20 0 BDADLO Cc1[nH]c2ccc(CN3C(=O)COC3=O)cc2[nH+]1 ZINC000882276704 591324719 /nfs/dbraw/zinc/32/47/19/591324719.db2.gz VMYWRFSEMJWUIP-UHFFFAOYSA-N 1 2 245.238 1.350 20 0 BDADLO Cc1[nH]c2cc(CN3C(=O)COC3=O)ccc2[nH+]1 ZINC000882276704 591324722 /nfs/dbraw/zinc/32/47/22/591324722.db2.gz VMYWRFSEMJWUIP-UHFFFAOYSA-N 1 2 245.238 1.350 20 0 BDADLO Cc1[nH+]cnc(N2CC([C@@H]3CCOC3)C2)c1C ZINC000882287656 591326641 /nfs/dbraw/zinc/32/66/41/591326641.db2.gz YJGDCVOWGAGCTH-LLVKDONJSA-N 1 2 233.315 1.566 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H]3COC[C@@H]3C2)c1C ZINC000882311429 591327994 /nfs/dbraw/zinc/32/79/94/591327994.db2.gz NGYVFKYYGSMSHQ-PHIMTYICSA-N 1 2 219.288 1.176 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](CO)C(C)C)c1C ZINC000882365043 591338138 /nfs/dbraw/zinc/33/81/38/591338138.db2.gz SUKDVQYLRLRGPE-NSHDSACASA-N 1 2 223.320 1.770 20 0 BDADLO O[C@@]1(C(F)F)CCN(c2cc[nH+]cc2F)C1 ZINC000882416123 591344988 /nfs/dbraw/zinc/34/49/88/591344988.db2.gz OWAJXICDZYCAHB-JTQLQIEISA-N 1 2 232.205 1.427 20 0 BDADLO CC(=O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000212298255 591345037 /nfs/dbraw/zinc/34/50/37/591345037.db2.gz QYTXEMKIJRBFSZ-UHFFFAOYSA-N 1 2 232.327 1.706 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)Nc1ncc(C=O)cn1 ZINC000882426971 591346929 /nfs/dbraw/zinc/34/69/29/591346929.db2.gz WQDQPBASNOHIMW-VIFPVBQESA-N 1 2 245.286 1.679 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](C(=O)N(C)C)C2)c1C ZINC000882457018 591351961 /nfs/dbraw/zinc/35/19/61/591351961.db2.gz NLKJDYPPLJSBKV-NSHDSACASA-N 1 2 248.330 1.008 20 0 BDADLO Cc1[nH+]cnc(NCCOCCF)c1C ZINC000882640607 591405986 /nfs/dbraw/zinc/40/59/86/591405986.db2.gz GUKPONXGZRLBHZ-UHFFFAOYSA-N 1 2 213.256 1.491 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H](C)C(O)[C@H](C)C2)c1C ZINC000882617866 591400242 /nfs/dbraw/zinc/40/02/42/591400242.db2.gz XFFMAMPRSKBCJG-RKDXNWHRSA-N 1 2 235.331 1.547 20 0 BDADLO CCn1cc(CNc2nc[nH+]c(C)c2C)nn1 ZINC000882613847 591400246 /nfs/dbraw/zinc/40/02/46/591400246.db2.gz JBWSFYVBLZRAAU-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2C[C@H](O)C23CCC3)c1C ZINC000882621971 591401380 /nfs/dbraw/zinc/40/13/80/591401380.db2.gz DYIGGCCAZNIGEU-QWRGUYRKSA-N 1 2 233.315 1.809 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2C[C@H](O)C23CCC3)c1C ZINC000882621970 591401873 /nfs/dbraw/zinc/40/18/73/591401873.db2.gz DYIGGCCAZNIGEU-MNOVXSKESA-N 1 2 233.315 1.809 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H]3C[C@H]3C2)c1C ZINC000882628016 591403424 /nfs/dbraw/zinc/40/34/24/591403424.db2.gz YNGLOHSFSWQSRS-QWRGUYRKSA-N 1 2 203.289 1.940 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H](C)[C@@](C)(CO)C2)c1C ZINC000882636608 591404968 /nfs/dbraw/zinc/40/49/68/591404968.db2.gz XECIZFGUXNFVTI-NOZJJQNGSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](C)[C@@H](CO)C2)c1C ZINC000882645901 591406155 /nfs/dbraw/zinc/40/61/55/591406155.db2.gz RRDAORVQLSVPEH-BXKDBHETSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](C)[C@H](CO)C2)c1C ZINC000882645907 591406670 /nfs/dbraw/zinc/40/66/70/591406670.db2.gz RRDAORVQLSVPEH-SKDRFNHKSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)[C@@H]2CCCO2)c1C ZINC000882650554 591407260 /nfs/dbraw/zinc/40/72/60/591407260.db2.gz CBAMHZJNTMXMJL-MNOVXSKESA-N 1 2 237.303 1.045 20 0 BDADLO COCC1(C2CC2)CN(c2nc[nH+]c(C)c2C)C1 ZINC000882680939 591411186 /nfs/dbraw/zinc/41/11/86/591411186.db2.gz IUDFJZAQACUGEV-UHFFFAOYSA-N 1 2 247.342 1.956 20 0 BDADLO CC1(C)CC[C@@H](O)[C@H](Nc2cc[nH+]cc2F)C1 ZINC000882680999 591411550 /nfs/dbraw/zinc/41/15/50/591411550.db2.gz HZEMNVYRCAMPJW-VXGBXAGGSA-N 1 2 238.306 1.994 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](C(C)(C)O)C2)c1C ZINC000882720973 591422032 /nfs/dbraw/zinc/42/20/32/591422032.db2.gz QTACTCOPVODTKV-LLVKDONJSA-N 1 2 235.331 1.691 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](CF)C1 ZINC000882838948 591450261 /nfs/dbraw/zinc/45/02/61/591450261.db2.gz BLCNUBRZPYNOKH-VIFPVBQESA-N 1 2 210.252 1.886 20 0 BDADLO FC[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000882841374 591451829 /nfs/dbraw/zinc/45/18/29/591451829.db2.gz UCCDGSVEVHBBIG-SNVBAGLBSA-N 1 2 247.277 1.458 20 0 BDADLO C[C@@H](O)c1ccc(N(C)C[C@@H]2CCCO2)[nH+]c1 ZINC000213243174 591456627 /nfs/dbraw/zinc/45/66/27/591456627.db2.gz LVINPUGGZWKWNI-PWSUYJOCSA-N 1 2 236.315 1.750 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882888428 591464602 /nfs/dbraw/zinc/46/46/02/591464602.db2.gz ZCPRFZWSYLBVMA-UHFFFAOYSA-N 1 2 233.319 1.854 20 0 BDADLO CO[C@H]1COCC[C@H]1N(C)c1cc[nH+]c(C)n1 ZINC000882939587 591478340 /nfs/dbraw/zinc/47/83/40/591478340.db2.gz BMSMCXWZGWNOLC-MNOVXSKESA-N 1 2 237.303 1.025 20 0 BDADLO NC(CO)=[NH+]OCCCc1cccc(F)c1 ZINC000883011815 591510856 /nfs/dbraw/zinc/51/08/56/591510856.db2.gz KBZLSRSPXAHTLN-UHFFFAOYSA-N 1 2 226.251 1.249 20 0 BDADLO CCc1cccc(OCCO[NH+]=C(N)CO)c1 ZINC000883010011 591510905 /nfs/dbraw/zinc/51/09/05/591510905.db2.gz BQDDXHVJIMYEGS-UHFFFAOYSA-N 1 2 238.287 1.119 20 0 BDADLO COc1ccc(CO[NH+]=C(N)CO)cc1Cl ZINC000883011871 591511179 /nfs/dbraw/zinc/51/11/79/591511179.db2.gz LUVAGPIMMIQPPQ-UHFFFAOYSA-N 1 2 244.678 1.339 20 0 BDADLO NC(CO)=[NH+]OCc1cncc(C(F)(F)F)c1 ZINC000883012818 591511997 /nfs/dbraw/zinc/51/19/97/591511997.db2.gz UQSYODRYEJAGNK-UHFFFAOYSA-N 1 2 249.192 1.091 20 0 BDADLO Cc1ccc(CCCO[NH+]=C(N)CO)cc1 ZINC000883011907 591513236 /nfs/dbraw/zinc/51/32/36/591513236.db2.gz MWXJVDRXSFBLKG-UHFFFAOYSA-N 1 2 222.288 1.418 20 0 BDADLO CC1(C)CCCC[C@@H]1CO[NH+]=C(N)CO ZINC000883013246 591514470 /nfs/dbraw/zinc/51/44/70/591514470.db2.gz JLRCBAPZAFHRNR-SECBINFHSA-N 1 2 214.309 1.694 20 0 BDADLO Cn1cc(N[C@H]2CCc3ccc[nH+]c3CC2)nn1 ZINC000883145142 591551727 /nfs/dbraw/zinc/55/17/27/591551727.db2.gz OQVJFBUFBZFMNX-NSHDSACASA-N 1 2 243.314 1.570 20 0 BDADLO CSc1ccc(C[NH2+]Cc2nonc2C)o1 ZINC000883203561 591571570 /nfs/dbraw/zinc/57/15/70/591571570.db2.gz GGBOIGDRVJMJHH-UHFFFAOYSA-N 1 2 239.300 1.983 20 0 BDADLO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1(c2ncccn2)CCC1 ZINC000883312466 591611951 /nfs/dbraw/zinc/61/19/51/591611951.db2.gz DMBRFCLHHWMLFD-NEPJUHHUSA-N 1 2 246.358 1.396 20 0 BDADLO C[C@H]1CN(C)C[C@@H]1[NH2+]C1(c2ncccn2)CCC1 ZINC000883312468 591612640 /nfs/dbraw/zinc/61/26/40/591612640.db2.gz DMBRFCLHHWMLFD-RYUDHWBXSA-N 1 2 246.358 1.396 20 0 BDADLO CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000883354093 591624836 /nfs/dbraw/zinc/62/48/36/591624836.db2.gz KOZOXNPXFWJGDI-MCIONIFRSA-N 1 2 239.407 1.401 20 0 BDADLO CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883354093 591624838 /nfs/dbraw/zinc/62/48/38/591624838.db2.gz KOZOXNPXFWJGDI-MCIONIFRSA-N 1 2 239.407 1.401 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C=CCC1 ZINC000883652153 591709770 /nfs/dbraw/zinc/70/97/70/591709770.db2.gz DLWGSDRTBXRUMG-SNVBAGLBSA-N 1 2 234.303 1.186 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000883669864 591715399 /nfs/dbraw/zinc/71/53/99/591715399.db2.gz SMKCUXRVJDECBC-DTWKUNHWSA-N 1 2 220.276 1.132 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC[C@@H]2C=CCC2)c1 ZINC000883686346 591719748 /nfs/dbraw/zinc/71/97/48/591719748.db2.gz GWLCPEVBDQDZQW-LLVKDONJSA-N 1 2 248.330 1.228 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1C=CCC1 ZINC000883785344 591741770 /nfs/dbraw/zinc/74/17/70/591741770.db2.gz PKQOSHMDSGCQRG-SNVBAGLBSA-N 1 2 234.303 1.517 20 0 BDADLO C=C/C=C\CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000883830393 591749386 /nfs/dbraw/zinc/74/93/86/591749386.db2.gz KCJOQNGJWFZXOH-PLNGDYQASA-N 1 2 234.303 1.683 20 0 BDADLO CCn1cc(C[N@H+](CC)C[C@@H]2CCCO2)nn1 ZINC000883999302 591790545 /nfs/dbraw/zinc/79/05/45/591790545.db2.gz RYHSCVHFQGETIU-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1cc(C[N@@H+](CC)C[C@@H]2CCCO2)nn1 ZINC000883999302 591790546 /nfs/dbraw/zinc/79/05/46/591790546.db2.gz RYHSCVHFQGETIU-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800086621 591820268 /nfs/dbraw/zinc/82/02/68/591820268.db2.gz NRVUKZZWYQCKSN-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800086621 591820272 /nfs/dbraw/zinc/82/02/72/591820272.db2.gz NRVUKZZWYQCKSN-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CC(C)=CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800082516 591818353 /nfs/dbraw/zinc/81/83/53/591818353.db2.gz PVZVYXFOIRILRD-NSHDSACASA-N 1 2 227.304 1.217 20 0 BDADLO CC(C)=CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800082516 591818350 /nfs/dbraw/zinc/81/83/50/591818350.db2.gz PVZVYXFOIRILRD-NSHDSACASA-N 1 2 227.304 1.217 20 0 BDADLO C[C@H](C(=O)OCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000800176519 591832787 /nfs/dbraw/zinc/83/27/87/591832787.db2.gz IVARUZRAYTXQAN-MNOVXSKESA-N 1 2 241.331 1.296 20 0 BDADLO C[C@H](C(=O)OCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000800176519 591832790 /nfs/dbraw/zinc/83/27/90/591832790.db2.gz IVARUZRAYTXQAN-MNOVXSKESA-N 1 2 241.331 1.296 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C2=CCCC2)CCO1 ZINC000800184580 591835035 /nfs/dbraw/zinc/83/50/35/591835035.db2.gz VLSAGPYXNZQRLN-LLVKDONJSA-N 1 2 239.315 1.361 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C2=CCCC2)CCO1 ZINC000800184580 591835041 /nfs/dbraw/zinc/83/50/41/591835041.db2.gz VLSAGPYXNZQRLN-LLVKDONJSA-N 1 2 239.315 1.361 20 0 BDADLO c1csc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000121447672 591923523 /nfs/dbraw/zinc/92/35/23/591923523.db2.gz ZDFWJDCBMACFDN-UHFFFAOYSA-N 1 2 248.355 1.793 20 0 BDADLO CCc1nc(N2CC(=O)N(CC3CC3)C2)cc[nH+]1 ZINC000884491092 591954960 /nfs/dbraw/zinc/95/49/60/591954960.db2.gz NHTWHYHRJIOZGD-UHFFFAOYSA-N 1 2 246.314 1.055 20 0 BDADLO CCc1nc(N[C@@H]2CCN(CC)C2=O)cc[nH+]1 ZINC000884499653 591958384 /nfs/dbraw/zinc/95/83/84/591958384.db2.gz JRCRJZCDNVFBEC-SECBINFHSA-N 1 2 234.303 1.072 20 0 BDADLO CCc1nc(NC[C@@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000884509401 591961041 /nfs/dbraw/zinc/96/10/41/591961041.db2.gz FINWOSWCOVMXLO-NSHDSACASA-N 1 2 248.330 1.319 20 0 BDADLO CCn1cc[nH+]c1CNc1ncc(C)o1 ZINC000884519850 591963835 /nfs/dbraw/zinc/96/38/35/591963835.db2.gz FNYSEFIBHAGQNK-UHFFFAOYSA-N 1 2 206.249 1.812 20 0 BDADLO CCc1nc(N2CCC[C@@H](CO)CC2)cc[nH+]1 ZINC000884517870 591964377 /nfs/dbraw/zinc/96/43/77/591964377.db2.gz YHCDFDLVUCARQQ-LLVKDONJSA-N 1 2 235.331 1.638 20 0 BDADLO CCc1nc(N2Cc3cccnc3C2)cc[nH+]1 ZINC000884534297 591969889 /nfs/dbraw/zinc/96/98/89/591969889.db2.gz DJCFZEXOOBOHOR-UHFFFAOYSA-N 1 2 226.283 1.954 20 0 BDADLO CCc1nc(N2C[C@@H](C)C[C@H](CO)C2)cc[nH+]1 ZINC000884533312 591969910 /nfs/dbraw/zinc/96/99/10/591969910.db2.gz FCCXZENKMMTQFN-QWRGUYRKSA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N2C[C@H]3[C@@H](C2)C3(F)F)cc[nH+]1 ZINC000884546074 591972150 /nfs/dbraw/zinc/97/21/50/591972150.db2.gz AIXRPMLMYFQJPM-OCAPTIKFSA-N 1 2 225.242 1.740 20 0 BDADLO CCc1nc(NCCCOCOC)cc[nH+]1 ZINC000884544119 591973556 /nfs/dbraw/zinc/97/35/56/591973556.db2.gz WYSGPHKKGZUUPK-UHFFFAOYSA-N 1 2 225.292 1.462 20 0 BDADLO CCc1nc(N[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000884552301 591975985 /nfs/dbraw/zinc/97/59/85/591975985.db2.gz XJASBTKOTDQWFF-NXEZZACHSA-N 1 2 221.304 1.754 20 0 BDADLO Cc1cnc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000884555330 591977557 /nfs/dbraw/zinc/97/75/57/591977557.db2.gz PBXPNYQSHBOSCH-GXSJLCMTSA-N 1 2 239.319 1.504 20 0 BDADLO Cc1cnc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000884555330 591977560 /nfs/dbraw/zinc/97/75/60/591977560.db2.gz PBXPNYQSHBOSCH-GXSJLCMTSA-N 1 2 239.319 1.504 20 0 BDADLO CCc1nc(N2CCC[C@](O)(C3CC3)C2)cc[nH+]1 ZINC000884556472 591978505 /nfs/dbraw/zinc/97/85/05/591978505.db2.gz QZDSUEWJPQRSOE-CQSZACIVSA-N 1 2 247.342 1.780 20 0 BDADLO CCc1nc(NC2([C@H](C)O)CC2)cc[nH+]1 ZINC000884559525 591979756 /nfs/dbraw/zinc/97/97/56/591979756.db2.gz XBRBPPPFHMVGBT-QMMMGPOBSA-N 1 2 207.277 1.364 20 0 BDADLO CCc1nc(N2C[C@@H](C)[C@](C)(CO)C2)cc[nH+]1 ZINC000884560158 591980305 /nfs/dbraw/zinc/98/03/05/591980305.db2.gz OOUDISWBESERRH-MFKMUULPSA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N2CCC[C@H]2COC)cc[nH+]1 ZINC000884565102 591982128 /nfs/dbraw/zinc/98/21/28/591982128.db2.gz AEGHWCMOGNDDKG-JTQLQIEISA-N 1 2 221.304 1.654 20 0 BDADLO CCc1nc(N[C@@H](C)[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000884571673 591983893 /nfs/dbraw/zinc/98/38/93/591983893.db2.gz VMVSAYZUAIXRIV-RCOVLWMOSA-N 1 2 249.236 1.763 20 0 BDADLO O=S1(=O)CC[C@H]([N@H+](C/C=C/Cl)C2CC2)C1 ZINC000135209624 591996883 /nfs/dbraw/zinc/99/68/83/591996883.db2.gz PNHKXGVTOZHQHU-OKEWEERVSA-N 1 2 249.763 1.390 20 0 BDADLO O=S1(=O)CC[C@H]([N@@H+](C/C=C/Cl)C2CC2)C1 ZINC000135209624 591996886 /nfs/dbraw/zinc/99/68/86/591996886.db2.gz PNHKXGVTOZHQHU-OKEWEERVSA-N 1 2 249.763 1.390 20 0 BDADLO CSCc1nc(CNc2cccc[nH+]2)n[nH]1 ZINC000884695086 592012588 /nfs/dbraw/zinc/01/25/88/592012588.db2.gz JDVSKVKPXRQFTL-UHFFFAOYSA-N 1 2 235.316 1.675 20 0 BDADLO OCC[C@@H](Nc1cccc[nH+]1)C(F)(F)F ZINC000884838427 592024253 /nfs/dbraw/zinc/02/42/53/592024253.db2.gz USICKINHZTXVPE-SSDOTTSWSA-N 1 2 220.194 1.807 20 0 BDADLO C[C@H]1C(=O)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000885040700 592037543 /nfs/dbraw/zinc/03/75/43/592037543.db2.gz YXACHKOHEUUBIU-NSHDSACASA-N 1 2 249.314 1.243 20 0 BDADLO CCO[C@H]1CCN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000885323658 592066745 /nfs/dbraw/zinc/06/67/45/592066745.db2.gz REXUJFJRNFTXDC-RXNFCKPNSA-N 1 2 249.314 1.071 20 0 BDADLO C[C@H]1C[N@H+](CCSC(F)(F)F)CCO1 ZINC000885929811 592109464 /nfs/dbraw/zinc/10/94/64/592109464.db2.gz UWJBJHXGRRRXAJ-ZETCQYMHSA-N 1 2 229.267 1.960 20 0 BDADLO C[C@H]1C[N@@H+](CCSC(F)(F)F)CCO1 ZINC000885929811 592109465 /nfs/dbraw/zinc/10/94/65/592109465.db2.gz UWJBJHXGRRRXAJ-ZETCQYMHSA-N 1 2 229.267 1.960 20 0 BDADLO C[C@@H]1C[N@H+](CCSC(F)(F)F)CCO1 ZINC000885929808 592109985 /nfs/dbraw/zinc/10/99/85/592109985.db2.gz UWJBJHXGRRRXAJ-SSDOTTSWSA-N 1 2 229.267 1.960 20 0 BDADLO C[C@@H]1C[N@@H+](CCSC(F)(F)F)CCO1 ZINC000885929808 592109988 /nfs/dbraw/zinc/10/99/88/592109988.db2.gz UWJBJHXGRRRXAJ-SSDOTTSWSA-N 1 2 229.267 1.960 20 0 BDADLO CN1CCC[N@H+](CCSC(F)(F)F)CC1 ZINC000885943880 592112318 /nfs/dbraw/zinc/11/23/18/592112318.db2.gz FJPZNXJVEPPHMU-UHFFFAOYSA-N 1 2 242.310 1.877 20 0 BDADLO CN1CCC[N@@H+](CCSC(F)(F)F)CC1 ZINC000885943880 592112319 /nfs/dbraw/zinc/11/23/19/592112319.db2.gz FJPZNXJVEPPHMU-UHFFFAOYSA-N 1 2 242.310 1.877 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000885985271 592121777 /nfs/dbraw/zinc/12/17/77/592121777.db2.gz CTCRYFDCMMCQBP-WPRPVWTQSA-N 1 2 205.248 1.610 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000885985271 592121778 /nfs/dbraw/zinc/12/17/78/592121778.db2.gz CTCRYFDCMMCQBP-WPRPVWTQSA-N 1 2 205.248 1.610 20 0 BDADLO O=S1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886007003 592129418 /nfs/dbraw/zinc/12/94/18/592129418.db2.gz ZCULATQBTWSCIG-NEPJUHHUSA-N 1 2 227.373 1.487 20 0 BDADLO Cc1nnc(C[NH2+]Cc2[nH]nc(C)c2C)s1 ZINC000886060168 592142397 /nfs/dbraw/zinc/14/23/97/592142397.db2.gz WOJAVCJTUHGHTK-UHFFFAOYSA-N 1 2 237.332 1.476 20 0 BDADLO COCC1([N@H+](C)Cc2[nH]ncc2C)CC1 ZINC000886094124 592147526 /nfs/dbraw/zinc/14/75/26/592147526.db2.gz MWYDNBYEPPAFOF-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO COCC1([N@@H+](C)Cc2[nH]ncc2C)CC1 ZINC000886094124 592147527 /nfs/dbraw/zinc/14/75/27/592147527.db2.gz MWYDNBYEPPAFOF-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000889316190 592150903 /nfs/dbraw/zinc/15/09/03/592150903.db2.gz ZSFLROXGAYULFB-MGNMTHHWSA-N 1 2 249.314 1.069 20 0 BDADLO FC1(F)CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886117010 592157365 /nfs/dbraw/zinc/15/73/65/592157365.db2.gz XKXLZWUYKWVVLB-NXEZZACHSA-N 1 2 217.259 1.754 20 0 BDADLO FC1(F)CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886117010 592157366 /nfs/dbraw/zinc/15/73/66/592157366.db2.gz XKXLZWUYKWVVLB-NXEZZACHSA-N 1 2 217.259 1.754 20 0 BDADLO Cc1coc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c1 ZINC000886158033 592165692 /nfs/dbraw/zinc/16/56/92/592165692.db2.gz QCBCZLKARHYUPP-ONGXEEELSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1[nH]nc(NCc2[nH]c(C)c(C)[nH+]2)c1C ZINC000886197500 592170350 /nfs/dbraw/zinc/17/03/50/592170350.db2.gz BBIDTTMHFPCBRW-UHFFFAOYSA-N 1 2 219.292 1.979 20 0 BDADLO C[C@](O)(C[N@@H+]1Cc2cccnc2C1)C(F)F ZINC000886185889 592171624 /nfs/dbraw/zinc/17/16/24/592171624.db2.gz KPBWGBRLXDSPRG-NSHDSACASA-N 1 2 228.242 1.413 20 0 BDADLO C[C@](O)(C[N@H+]1Cc2cccnc2C1)C(F)F ZINC000886185889 592171626 /nfs/dbraw/zinc/17/16/26/592171626.db2.gz KPBWGBRLXDSPRG-NSHDSACASA-N 1 2 228.242 1.413 20 0 BDADLO Cc1nccc(C[NH2+][C@@H](C)c2nccnc2C)n1 ZINC000219102118 592209016 /nfs/dbraw/zinc/20/90/16/592209016.db2.gz PJQQWGPROFAHBY-JTQLQIEISA-N 1 2 243.314 1.734 20 0 BDADLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344311 592212139 /nfs/dbraw/zinc/21/21/39/592212139.db2.gz BLGLXAVQVBDBFO-LOWVWBTDSA-N 1 2 249.285 1.992 20 0 BDADLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344311 592212141 /nfs/dbraw/zinc/21/21/41/592212141.db2.gz BLGLXAVQVBDBFO-LOWVWBTDSA-N 1 2 249.285 1.992 20 0 BDADLO Cc1c[nH]c(CN[C@H](CCO)C(F)(F)F)[nH+]1 ZINC000886370033 592220901 /nfs/dbraw/zinc/22/09/01/592220901.db2.gz UURYXXDJUUTDJQ-SSDOTTSWSA-N 1 2 237.225 1.121 20 0 BDADLO C[C@@H](O)CCN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000219804656 592251344 /nfs/dbraw/zinc/25/13/44/592251344.db2.gz BFZKJZLGLXJDGT-NXEZZACHSA-N 1 2 224.304 1.342 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1cocn1)c1cnn(C)c1 ZINC000886574027 592265183 /nfs/dbraw/zinc/26/51/83/592265183.db2.gz KEISAJKEICMHJH-LBPRGKRZSA-N 1 2 234.303 1.895 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1(F)CC1)C2 ZINC000886609935 592273609 /nfs/dbraw/zinc/27/36/09/592273609.db2.gz IZZFKXMHQURYNF-UHFFFAOYSA-N 1 2 237.278 1.290 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)no1 ZINC000886680309 592299155 /nfs/dbraw/zinc/29/91/55/592299155.db2.gz BAHAGWQYTNHKGK-NSHDSACASA-N 1 2 244.298 1.844 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H](c3ncccn3)C2)no1 ZINC000886680309 592299157 /nfs/dbraw/zinc/29/91/57/592299157.db2.gz BAHAGWQYTNHKGK-NSHDSACASA-N 1 2 244.298 1.844 20 0 BDADLO Fc1cccc2c1CC[C@H]2[NH2+]Cc1cnon1 ZINC000886928605 592397569 /nfs/dbraw/zinc/39/75/69/592397569.db2.gz GFSZIQICKHWWOC-GFCCVEGCSA-N 1 2 233.246 1.986 20 0 BDADLO CC[C@H](NC(=O)c1ccnc(F)c1)c1[nH]cc[nH+]1 ZINC000139421259 592399381 /nfs/dbraw/zinc/39/93/81/592399381.db2.gz AOEGGDWTRWNWCB-VIFPVBQESA-N 1 2 248.261 1.825 20 0 BDADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]C(C)C ZINC000886954925 592401343 /nfs/dbraw/zinc/40/13/43/592401343.db2.gz OTIAABMTKPWAAX-ZJUUUORDSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@@H](C[N@@H+]1CCSC[C@H]1C(=O)OC)OC ZINC000887077485 592436176 /nfs/dbraw/zinc/43/61/76/592436176.db2.gz NAUUKHIIYPLUBE-UWVGGRQHSA-N 1 2 247.360 1.002 20 0 BDADLO CC[C@@H](C[N@H+]1CCSC[C@H]1C(=O)OC)OC ZINC000887077485 592436180 /nfs/dbraw/zinc/43/61/80/592436180.db2.gz NAUUKHIIYPLUBE-UWVGGRQHSA-N 1 2 247.360 1.002 20 0 BDADLO COCCCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074247 592436403 /nfs/dbraw/zinc/43/64/03/592436403.db2.gz RFQIRBQBEHAPIS-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO COCCCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074247 592436406 /nfs/dbraw/zinc/43/64/06/592436406.db2.gz RFQIRBQBEHAPIS-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCSCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074484 592436646 /nfs/dbraw/zinc/43/66/46/592436646.db2.gz XMUHQDXJLDLENZ-SECBINFHSA-N 1 2 249.401 1.330 20 0 BDADLO CCSCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074484 592436650 /nfs/dbraw/zinc/43/66/50/592436650.db2.gz XMUHQDXJLDLENZ-SECBINFHSA-N 1 2 249.401 1.330 20 0 BDADLO COCc1noc(C[N@H+](C)CCCF)n1 ZINC000887141525 592457281 /nfs/dbraw/zinc/45/72/81/592457281.db2.gz XSEGTJCITMZHNE-UHFFFAOYSA-N 1 2 217.244 1.007 20 0 BDADLO COCc1noc(C[N@@H+](C)CCCF)n1 ZINC000887141525 592457284 /nfs/dbraw/zinc/45/72/84/592457284.db2.gz XSEGTJCITMZHNE-UHFFFAOYSA-N 1 2 217.244 1.007 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)CCCF ZINC000887141316 592457352 /nfs/dbraw/zinc/45/73/52/592457352.db2.gz NWKPEVMDLIOXFS-UHFFFAOYSA-N 1 2 205.273 1.477 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)CCCF ZINC000887141316 592457354 /nfs/dbraw/zinc/45/73/54/592457354.db2.gz NWKPEVMDLIOXFS-UHFFFAOYSA-N 1 2 205.273 1.477 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CCCF)[nH]1 ZINC000887142733 592458533 /nfs/dbraw/zinc/45/85/33/592458533.db2.gz XYFQKJGBJFTCQG-MRVPVSSYSA-N 1 2 214.288 1.720 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CCCF)[nH]1 ZINC000887142733 592458539 /nfs/dbraw/zinc/45/85/39/592458539.db2.gz XYFQKJGBJFTCQG-MRVPVSSYSA-N 1 2 214.288 1.720 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+](C)CCCF)n1 ZINC000887142568 592458637 /nfs/dbraw/zinc/45/86/37/592458637.db2.gz QDJGXEKJXPEQJM-QMMMGPOBSA-N 1 2 244.266 1.814 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+](C)CCCF)n1 ZINC000887142568 592458641 /nfs/dbraw/zinc/45/86/41/592458641.db2.gz QDJGXEKJXPEQJM-QMMMGPOBSA-N 1 2 244.266 1.814 20 0 BDADLO CCc1cnc(NC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000887237458 592469501 /nfs/dbraw/zinc/46/95/01/592469501.db2.gz UKIIVSNNLNQNSL-UHFFFAOYSA-N 1 2 220.232 1.141 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1(C2CC2)CCC1 ZINC000887346207 592483923 /nfs/dbraw/zinc/48/39/23/592483923.db2.gz UVZTUIULGPKJSB-UHFFFAOYSA-N 1 2 248.330 1.515 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000300039154 592500398 /nfs/dbraw/zinc/50/03/98/592500398.db2.gz GRHDMYQRDUUVSU-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000300039154 592500395 /nfs/dbraw/zinc/50/03/95/592500395.db2.gz GRHDMYQRDUUVSU-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO CCOCc1cn(CCc2cccc(C)[nH+]2)nn1 ZINC000887427834 592504253 /nfs/dbraw/zinc/50/42/53/592504253.db2.gz CXNZOFHLTIYCBE-UHFFFAOYSA-N 1 2 246.314 1.761 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000887472139 592512081 /nfs/dbraw/zinc/51/20/81/592512081.db2.gz SQLMNYOHFBHKHI-NWDGAFQWSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000887472139 592512085 /nfs/dbraw/zinc/51/20/85/592512085.db2.gz SQLMNYOHFBHKHI-NWDGAFQWSA-N 1 2 249.314 1.026 20 0 BDADLO CCn1cc(C[N@H+]2CC=C(C)CC2)nn1 ZINC000887554501 592525598 /nfs/dbraw/zinc/52/55/98/592525598.db2.gz FHSJFEYGJBXHPN-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1cc(C[N@@H+]2CC=C(C)CC2)nn1 ZINC000887554501 592525600 /nfs/dbraw/zinc/52/56/00/592525600.db2.gz FHSJFEYGJBXHPN-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889615909 592630449 /nfs/dbraw/zinc/63/04/49/592630449.db2.gz DIVHGHZXEKSTPU-INTQDDNPSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889615909 592630450 /nfs/dbraw/zinc/63/04/50/592630450.db2.gz DIVHGHZXEKSTPU-INTQDDNPSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@@H](Cc1cccnc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000889671235 592641228 /nfs/dbraw/zinc/64/12/28/592641228.db2.gz DTLORJARXQUGFF-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)CO2)c(C)c[nH+]1 ZINC000889792747 592654338 /nfs/dbraw/zinc/65/43/38/592654338.db2.gz LVYQMYMIAYTAHA-PELKAZGASA-N 1 2 234.299 1.484 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000890103679 592680613 /nfs/dbraw/zinc/68/06/13/592680613.db2.gz OPVOVYGCSQZFBC-JLLWLGSASA-N 1 2 233.315 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000890106715 592681670 /nfs/dbraw/zinc/68/16/70/592681670.db2.gz BOHCSTKIBYCUDW-NSHDSACASA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)c1ccccc1 ZINC000890108158 592683525 /nfs/dbraw/zinc/68/35/25/592683525.db2.gz UNHXFHPUEXTFCS-LLVKDONJSA-N 1 2 243.310 1.840 20 0 BDADLO C/C(=C\C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890113895 592683675 /nfs/dbraw/zinc/68/36/75/592683675.db2.gz BTNIOJZQOTWURS-WEVVVXLNSA-N 1 2 219.288 1.393 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C)CCC2)c1 ZINC000890110824 592683859 /nfs/dbraw/zinc/68/38/59/592683859.db2.gz WFNOSTZGJMWRRX-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113547 592684574 /nfs/dbraw/zinc/68/45/74/592684574.db2.gz HYEGVMXTCLXJKZ-SECBINFHSA-N 1 2 209.293 1.328 20 0 BDADLO Cc1cccc(C)c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890110960 592684713 /nfs/dbraw/zinc/68/47/13/592684713.db2.gz XKFPCESKCJLLCQ-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890110395 592684864 /nfs/dbraw/zinc/68/48/64/592684864.db2.gz OCWSHMWVTHUYKC-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO C[C@@H](CC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890114842 592686013 /nfs/dbraw/zinc/68/60/13/592686013.db2.gz ZKPUXGHLGHLCRY-VIFPVBQESA-N 1 2 221.304 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC=CCC2)c1 ZINC000890117713 592686071 /nfs/dbraw/zinc/68/60/71/592686071.db2.gz SEEATIQEFUKQSD-JTQLQIEISA-N 1 2 219.288 1.393 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000035387677 597152498 /nfs/dbraw/zinc/15/24/98/597152498.db2.gz DEGKKHIZRRYRSA-SNVBAGLBSA-N 1 2 245.282 1.435 20 0 BDADLO C[C@H](C[NH2+]C1CCC(C(=O)[O-])CC1)[NH+](C)C ZINC000304579531 598103615 /nfs/dbraw/zinc/10/36/15/598103615.db2.gz JKNILBOPHVRHSN-KPPDAEKUSA-N 1 2 228.336 1.170 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncs2)Cc2c[nH]nc21 ZINC000931467704 634465640 /nfs/dbraw/zinc/46/56/40/634465640.db2.gz QMMVLHOCHQFARZ-MRVPVSSYSA-N 1 2 234.328 1.986 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncs2)Cc2c[nH]nc21 ZINC000931467704 634465642 /nfs/dbraw/zinc/46/56/42/634465642.db2.gz QMMVLHOCHQFARZ-MRVPVSSYSA-N 1 2 234.328 1.986 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000319036700 635491542 /nfs/dbraw/zinc/49/15/42/635491542.db2.gz KLYKFMYBSYGUNL-LOWVWBTDSA-N 1 2 245.363 1.979 20 0 BDADLO CCCNc1cc(N2CC[C@](C)(O)C2)nc[nH+]1 ZINC000233207911 635527255 /nfs/dbraw/zinc/52/72/55/635527255.db2.gz PQMURLWDPCKNDJ-LBPRGKRZSA-N 1 2 236.319 1.260 20 0 BDADLO CCCNc1cc(N2CC[C@](C)(O)C2)[nH+]cn1 ZINC000233207911 635527268 /nfs/dbraw/zinc/52/72/68/635527268.db2.gz PQMURLWDPCKNDJ-LBPRGKRZSA-N 1 2 236.319 1.260 20 0 BDADLO Cc1cc(C[NH2+]C2COC(C)(C)OC2)no1 ZINC000235853061 635586098 /nfs/dbraw/zinc/58/60/98/635586098.db2.gz LCRNYCAKBTVMDA-UHFFFAOYSA-N 1 2 226.276 1.224 20 0 BDADLO CC(C)C[C@@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090814856 631234355 /nfs/dbraw/zinc/23/43/55/631234355.db2.gz HGOCLPFVKTXLRB-QWRGUYRKSA-N 1 2 245.363 1.713 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324798 631253760 /nfs/dbraw/zinc/25/37/60/631253760.db2.gz FGUTUKYTXDOQFF-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933324798 631253766 /nfs/dbraw/zinc/25/37/66/631253766.db2.gz FGUTUKYTXDOQFF-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1cccnc1C ZINC000933326718 631259856 /nfs/dbraw/zinc/25/98/56/631259856.db2.gz GBGCMPJVAGBQIB-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1cccnc1C ZINC000933326718 631259859 /nfs/dbraw/zinc/25/98/59/631259859.db2.gz GBGCMPJVAGBQIB-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308422288 631329137 /nfs/dbraw/zinc/32/91/37/631329137.db2.gz OOVALAXQJVSKLY-UTLUCORTSA-N 1 2 227.304 1.095 20 0 BDADLO CN(C)c1cc(NCCc2ccco2)[nH+]cn1 ZINC000891519007 631381883 /nfs/dbraw/zinc/38/18/83/631381883.db2.gz KPAKHOGAENDXLI-UHFFFAOYSA-N 1 2 232.287 1.790 20 0 BDADLO CN(C)c1cc(NCCc2ccco2)nc[nH+]1 ZINC000891519007 631381891 /nfs/dbraw/zinc/38/18/91/631381891.db2.gz KPAKHOGAENDXLI-UHFFFAOYSA-N 1 2 232.287 1.790 20 0 BDADLO CC[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000891572016 631393878 /nfs/dbraw/zinc/39/38/78/631393878.db2.gz LIBGKNBJIHVFCZ-UHFFFAOYSA-N 1 2 201.701 1.834 20 0 BDADLO CC[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000891572016 631393881 /nfs/dbraw/zinc/39/38/81/631393881.db2.gz LIBGKNBJIHVFCZ-UHFFFAOYSA-N 1 2 201.701 1.834 20 0 BDADLO CNc1cc(N[C@@H]2CCO[C@H](C)C2)[nH+]cn1 ZINC000234523331 631567356 /nfs/dbraw/zinc/56/73/56/631567356.db2.gz ICJWUFNTMOTIFK-RKDXNWHRSA-N 1 2 222.292 1.498 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccsc1Cl ZINC000934011759 631588514 /nfs/dbraw/zinc/58/85/14/631588514.db2.gz NLUCWANXSDGJMC-QMMMGPOBSA-N 1 2 217.721 1.968 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccsc1Cl ZINC000934011759 631588519 /nfs/dbraw/zinc/58/85/19/631588519.db2.gz NLUCWANXSDGJMC-QMMMGPOBSA-N 1 2 217.721 1.968 20 0 BDADLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934024765 631597657 /nfs/dbraw/zinc/59/76/57/631597657.db2.gz GLCDBYPMSXJICB-CYBMUJFWSA-N 1 2 248.326 1.254 20 0 BDADLO CCc1ccc(NC(=O)C[N@H+]2CC[C@@H]2CO)cc1 ZINC000934024765 631597658 /nfs/dbraw/zinc/59/76/58/631597658.db2.gz GLCDBYPMSXJICB-CYBMUJFWSA-N 1 2 248.326 1.254 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cccc(F)c1F ZINC000934027383 631604727 /nfs/dbraw/zinc/60/47/27/631604727.db2.gz UBZNCQBUUBRRTA-SECBINFHSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cccc(F)c1F ZINC000934027383 631604731 /nfs/dbraw/zinc/60/47/31/631604731.db2.gz UBZNCQBUUBRRTA-SECBINFHSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1F ZINC000934028472 631625272 /nfs/dbraw/zinc/62/52/72/631625272.db2.gz VDJWHCIHLKMMSK-JTQLQIEISA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1F ZINC000934028472 631625275 /nfs/dbraw/zinc/62/52/75/631625275.db2.gz VDJWHCIHLKMMSK-JTQLQIEISA-N 1 2 213.227 1.531 20 0 BDADLO COC1C[NH+](C[C@H](O)c2ccccc2)C1 ZINC000308811181 631664481 /nfs/dbraw/zinc/66/44/81/631664481.db2.gz NSZYIIAMFXSAPK-LBPRGKRZSA-N 1 2 207.273 1.051 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000934108495 631679525 /nfs/dbraw/zinc/67/95/25/631679525.db2.gz QJWFEOWTDYFMTJ-UJNFCWOMSA-N 1 2 224.308 1.283 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000934108495 631679526 /nfs/dbraw/zinc/67/95/26/631679526.db2.gz QJWFEOWTDYFMTJ-UJNFCWOMSA-N 1 2 224.308 1.283 20 0 BDADLO C[C@H]([NH2+]C/C=C\Cl)c1nnnn1C1CC1 ZINC000309021667 631803364 /nfs/dbraw/zinc/80/33/64/631803364.db2.gz XNKRPEATISAPHM-KVFVURRZSA-N 1 2 227.699 1.411 20 0 BDADLO Cc1ccccc1[C@H](O)Cn1cc[nH+]c1 ZINC000044180589 631814583 /nfs/dbraw/zinc/81/45/83/631814583.db2.gz UHLSZTAEJCNPBV-GFCCVEGCSA-N 1 2 202.257 1.925 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCOC12CCCC2 ZINC000934392770 631819915 /nfs/dbraw/zinc/81/99/15/631819915.db2.gz WLSHFRUSNJWJAB-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934396253 631820845 /nfs/dbraw/zinc/82/08/45/631820845.db2.gz PHNZTINUJVIBNJ-VHSXEESVSA-N 1 2 227.304 1.239 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309041947 631824994 /nfs/dbraw/zinc/82/49/94/631824994.db2.gz LTEXUFFCWSNCAL-KKMMWDRVSA-N 1 2 221.247 1.571 20 0 BDADLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1cc[nH]n1 ZINC000934479101 631873806 /nfs/dbraw/zinc/87/38/06/631873806.db2.gz PFRSYMPDZRSWJK-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1cc[nH]n1 ZINC000934479101 631873810 /nfs/dbraw/zinc/87/38/10/631873810.db2.gz PFRSYMPDZRSWJK-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000308831402 631886893 /nfs/dbraw/zinc/88/68/93/631886893.db2.gz GHGWTSJXIBSCIH-VHSXEESVSA-N 1 2 231.361 1.527 20 0 BDADLO C[C@@H]1C[N@H+](CCNc2nccs2)CCO1 ZINC000309117758 631887236 /nfs/dbraw/zinc/88/72/36/631887236.db2.gz MHGOZISOJJYOMY-SECBINFHSA-N 1 2 227.333 1.276 20 0 BDADLO C[C@@H]1C[N@@H+](CCNc2nccs2)CCO1 ZINC000309117758 631887240 /nfs/dbraw/zinc/88/72/40/631887240.db2.gz MHGOZISOJJYOMY-SECBINFHSA-N 1 2 227.333 1.276 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934568704 631941680 /nfs/dbraw/zinc/94/16/80/631941680.db2.gz VCLMDVSUNVQZFX-RYUDHWBXSA-N 1 2 242.294 1.239 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934568704 631941685 /nfs/dbraw/zinc/94/16/85/631941685.db2.gz VCLMDVSUNVQZFX-RYUDHWBXSA-N 1 2 242.294 1.239 20 0 BDADLO O[C@H]1CC[N@H+](CCc2cscn2)C[C@H]1F ZINC000934574472 631946864 /nfs/dbraw/zinc/94/68/64/631946864.db2.gz SUQQTFQFNRFJPI-ZJUUUORDSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2cscn2)C[C@H]1F ZINC000934574472 631946867 /nfs/dbraw/zinc/94/68/67/631946867.db2.gz SUQQTFQFNRFJPI-ZJUUUORDSA-N 1 2 230.308 1.090 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccc(F)cc2)n1 ZINC000051860543 631970997 /nfs/dbraw/zinc/97/09/97/631970997.db2.gz UBFXZOAOPMAFNJ-UHFFFAOYSA-N 1 2 235.262 1.909 20 0 BDADLO C/C=C\COC(=O)CCc1ccc(N)[nH+]c1 ZINC000309260235 631982008 /nfs/dbraw/zinc/98/20/08/631982008.db2.gz HSGJTDSYXOHJDX-IHWYPQMZSA-N 1 2 220.272 1.716 20 0 BDADLO C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CCN1C ZINC000161538873 632074974 /nfs/dbraw/zinc/07/49/74/632074974.db2.gz IXXLXMONQWLHOY-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CCN1C ZINC000161538873 632074984 /nfs/dbraw/zinc/07/49/84/632074984.db2.gz IXXLXMONQWLHOY-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)n2)ccn1 ZINC000926507242 632404217 /nfs/dbraw/zinc/40/42/17/632404217.db2.gz WXYATACREQBNTL-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CNc1cc(N(C)Cc2ccccn2)nc[nH+]1 ZINC000129569205 632429138 /nfs/dbraw/zinc/42/91/38/632429138.db2.gz JVAJAUWFOTYBGG-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CNc1cc(N(C)Cc2ccccn2)[nH+]cn1 ZINC000129569205 632429143 /nfs/dbraw/zinc/42/91/43/632429143.db2.gz JVAJAUWFOTYBGG-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CCCNc1cc(N(C)[C@H]2CCOC2)nc[nH+]1 ZINC000162174601 632531482 /nfs/dbraw/zinc/53/14/82/632531482.db2.gz BKRKVRLHYRHKQL-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N(C)[C@H]2CCOC2)[nH+]cn1 ZINC000162174601 632531488 /nfs/dbraw/zinc/53/14/88/632531488.db2.gz BKRKVRLHYRHKQL-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NOC1CCCC1 ZINC000281397869 632634328 /nfs/dbraw/zinc/63/43/28/632634328.db2.gz ZGSOAYLTLVBXEO-UHFFFAOYSA-N 1 2 223.276 1.333 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NOC1CCCC1 ZINC000281397869 632634334 /nfs/dbraw/zinc/63/43/34/632634334.db2.gz ZGSOAYLTLVBXEO-UHFFFAOYSA-N 1 2 223.276 1.333 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccnn1C ZINC000235518170 632772279 /nfs/dbraw/zinc/77/22/79/632772279.db2.gz FJFHKBFPTBAXMR-BDAKNGLRSA-N 1 2 219.292 1.555 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2COC[C@H]2C)c1 ZINC000926660527 632786103 /nfs/dbraw/zinc/78/61/03/632786103.db2.gz JQLBYGVRNGPCOU-KOLCDFICSA-N 1 2 222.288 1.675 20 0 BDADLO COC1CN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000892500234 632806858 /nfs/dbraw/zinc/80/68/58/632806858.db2.gz MZLAYUGJCNPFCL-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000309237273 632831652 /nfs/dbraw/zinc/83/16/52/632831652.db2.gz JSDVYQDVBJCKTF-JOYOIKCWSA-N 1 2 229.320 1.343 20 0 BDADLO CCOCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309248566 632841133 /nfs/dbraw/zinc/84/11/33/632841133.db2.gz DBLYUGOPFLEBRI-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO Cc1cc(C)nc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000310665172 632856657 /nfs/dbraw/zinc/85/66/57/632856657.db2.gz LKYZZEXZIKXTGV-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000892515353 632868653 /nfs/dbraw/zinc/86/86/53/632868653.db2.gz OBHBDZJWQDRHTH-CBAPKCEASA-N 1 2 244.136 1.673 20 0 BDADLO CO[C@@H](c1noc([C@@H](C)[NH+](C)C)n1)C1CC1 ZINC000924082150 633004210 /nfs/dbraw/zinc/00/42/10/633004210.db2.gz ZSYOOGSSEZRWQB-VXNVDRBHSA-N 1 2 225.292 1.790 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1O ZINC000249113729 633006670 /nfs/dbraw/zinc/00/66/70/633006670.db2.gz CVOMLUILSVJDKK-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1O ZINC000249113729 633006673 /nfs/dbraw/zinc/00/66/73/633006673.db2.gz CVOMLUILSVJDKK-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO CCN(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162117648 633021635 /nfs/dbraw/zinc/02/16/35/633021635.db2.gz IMHOZOHKKXYESS-UHFFFAOYSA-N 1 2 236.319 1.940 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CC(C)(C)F)c2ncnn21 ZINC000926779095 633047550 /nfs/dbraw/zinc/04/75/50/633047550.db2.gz GSNIAJOUZKKTNM-SFYZADRCSA-N 1 2 212.272 1.622 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)F)c2ncnn21 ZINC000926778781 633049401 /nfs/dbraw/zinc/04/94/01/633049401.db2.gz GSNIAJOUZKKTNM-HTQZYQBOSA-N 1 2 212.272 1.622 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000894536801 635907912 /nfs/dbraw/zinc/90/79/12/635907912.db2.gz DAEHTEHWRPTRSA-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000894536801 635907915 /nfs/dbraw/zinc/90/79/15/635907915.db2.gz DAEHTEHWRPTRSA-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000894536800 635908491 /nfs/dbraw/zinc/90/84/91/635908491.db2.gz DAEHTEHWRPTRSA-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000894536800 635908498 /nfs/dbraw/zinc/90/84/98/635908498.db2.gz DAEHTEHWRPTRSA-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO CCn1cc(OCc2ccc(N)[nH+]c2)cn1 ZINC000167361328 633128907 /nfs/dbraw/zinc/12/89/07/633128907.db2.gz ODJPIMHJDSPGHO-UHFFFAOYSA-N 1 2 218.260 1.459 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cnn(C)n1 ZINC000926816828 633131625 /nfs/dbraw/zinc/13/16/25/633131625.db2.gz PMOIZDWFFVRUAH-UWVGGRQHSA-N 1 2 246.318 1.197 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCC1(C)CC1 ZINC000936024987 633186677 /nfs/dbraw/zinc/18/66/77/633186677.db2.gz UVWUXTZSHYMPTF-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894757622 635922374 /nfs/dbraw/zinc/92/23/74/635922374.db2.gz ZESQWNIZRNGQCR-JTQLQIEISA-N 1 2 225.336 2.000 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894757622 635922379 /nfs/dbraw/zinc/92/23/79/635922379.db2.gz ZESQWNIZRNGQCR-JTQLQIEISA-N 1 2 225.336 2.000 20 0 BDADLO FCC[N@@H+]1CCn2c(Br)cnc2C1 ZINC000306338936 635962525 /nfs/dbraw/zinc/96/25/25/635962525.db2.gz VHVSADKESGXQOP-UHFFFAOYSA-N 1 2 248.099 1.431 20 0 BDADLO FCC[N@H+]1CCn2c(Br)cnc2C1 ZINC000306338936 635962528 /nfs/dbraw/zinc/96/25/28/635962528.db2.gz VHVSADKESGXQOP-UHFFFAOYSA-N 1 2 248.099 1.431 20 0 BDADLO C[NH+](C)CC1(NC(=O)C(F)(F)F)CCC1 ZINC000307049128 635981822 /nfs/dbraw/zinc/98/18/22/635981822.db2.gz PXFPLRAAKOUCEX-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccn1 ZINC000895117425 636064171 /nfs/dbraw/zinc/06/41/71/636064171.db2.gz SWAYZYSCQDHZNG-HBNTYKKESA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccn1 ZINC000895117425 636064175 /nfs/dbraw/zinc/06/41/75/636064175.db2.gz SWAYZYSCQDHZNG-HBNTYKKESA-N 1 2 233.315 1.179 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889605858 636056489 /nfs/dbraw/zinc/05/64/89/636056489.db2.gz LDKWJIWMQRHADU-JFGNBEQYSA-N 1 2 233.315 1.565 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC000928546691 636081110 /nfs/dbraw/zinc/08/11/10/636081110.db2.gz IIUMMBBFAHVFBC-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000928546691 636081114 /nfs/dbraw/zinc/08/11/14/636081114.db2.gz IIUMMBBFAHVFBC-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1nccn1C1CC1)C1CC1 ZINC000895228893 636123375 /nfs/dbraw/zinc/12/33/75/636123375.db2.gz FNBWFHRSVOEMDT-SNVBAGLBSA-N 1 2 235.331 1.563 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1nccn1C1CC1)C1CC1 ZINC000895228893 636123377 /nfs/dbraw/zinc/12/33/77/636123377.db2.gz FNBWFHRSVOEMDT-SNVBAGLBSA-N 1 2 235.331 1.563 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(C3(C)CC3)no2)O1 ZINC000924086793 633766842 /nfs/dbraw/zinc/76/68/42/633766842.db2.gz BBHLYRCPFNJFRI-IUCAKERBSA-N 1 2 237.303 1.513 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(C3(C)CC3)no2)O1 ZINC000924086793 633766846 /nfs/dbraw/zinc/76/68/46/633766846.db2.gz BBHLYRCPFNJFRI-IUCAKERBSA-N 1 2 237.303 1.513 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000930489793 633848962 /nfs/dbraw/zinc/84/89/62/633848962.db2.gz MZVSNRYVXPCCHK-UFBFGSQYSA-N 1 2 241.718 1.397 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000930489793 633848965 /nfs/dbraw/zinc/84/89/65/633848965.db2.gz MZVSNRYVXPCCHK-UFBFGSQYSA-N 1 2 241.718 1.397 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000930489786 633849182 /nfs/dbraw/zinc/84/91/82/633849182.db2.gz MZVSNRYVXPCCHK-PRHODGIISA-N 1 2 241.718 1.397 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000930489786 633849187 /nfs/dbraw/zinc/84/91/87/633849187.db2.gz MZVSNRYVXPCCHK-PRHODGIISA-N 1 2 241.718 1.397 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cccc(F)n1 ZINC000309928232 633951307 /nfs/dbraw/zinc/95/13/07/633951307.db2.gz WOPNWCQEBMDMFS-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cccc(F)n1 ZINC000309928232 633951309 /nfs/dbraw/zinc/95/13/09/633951309.db2.gz WOPNWCQEBMDMFS-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Nc1cc(COC(=O)CCC(F)F)cc[nH+]1 ZINC000309561912 633956177 /nfs/dbraw/zinc/95/61/77/633956177.db2.gz PBFGWRMPEZIYAB-UHFFFAOYSA-N 1 2 230.214 1.752 20 0 BDADLO CC[S@](=O)CC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309957160 633980078 /nfs/dbraw/zinc/98/00/78/633980078.db2.gz IYZZHBWXLITOOT-HWPZZCPQSA-N 1 2 241.360 1.145 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705408 634053672 /nfs/dbraw/zinc/05/36/72/634053672.db2.gz QMWHILCYILOTQR-PRHODGIISA-N 1 2 241.718 1.397 20 0 BDADLO C[C@@H](O)[C@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705408 634053682 /nfs/dbraw/zinc/05/36/82/634053682.db2.gz QMWHILCYILOTQR-PRHODGIISA-N 1 2 241.718 1.397 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)no2)o1 ZINC000893343664 634231586 /nfs/dbraw/zinc/23/15/86/634231586.db2.gz IMQXTVHGYPRKIY-UHFFFAOYSA-N 1 2 222.244 1.874 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC001027713654 635126789 /nfs/dbraw/zinc/12/67/89/635126789.db2.gz MYEQXCYQNWZCFG-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC001027713654 635126790 /nfs/dbraw/zinc/12/67/90/635126790.db2.gz MYEQXCYQNWZCFG-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO c1cc(C[NH2+]Cc2ccnn2C2CCC2)on1 ZINC000893549139 635139772 /nfs/dbraw/zinc/13/97/72/635139772.db2.gz MIKZVMLGWCJGDB-UHFFFAOYSA-N 1 2 232.287 1.886 20 0 BDADLO CC[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980727902 635264934 /nfs/dbraw/zinc/26/49/34/635264934.db2.gz UOJMEDCFEBEMHC-LLVKDONJSA-N 1 2 230.327 1.536 20 0 BDADLO CC[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980727902 635264937 /nfs/dbraw/zinc/26/49/37/635264937.db2.gz UOJMEDCFEBEMHC-LLVKDONJSA-N 1 2 230.327 1.536 20 0 BDADLO CC(C)=C(F)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980959375 635306264 /nfs/dbraw/zinc/30/62/64/635306264.db2.gz FJIQHMIKUBRDIH-UHFFFAOYSA-N 1 2 246.301 1.754 20 0 BDADLO CC(C)=C(F)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980959375 635306269 /nfs/dbraw/zinc/30/62/69/635306269.db2.gz FJIQHMIKUBRDIH-UHFFFAOYSA-N 1 2 246.301 1.754 20 0 BDADLO O=C(C1=CCCC1)N1CCC[N@@H+](CCF)CC1 ZINC000980963342 635307149 /nfs/dbraw/zinc/30/71/49/635307149.db2.gz XSMPCBSRXQDLCS-UHFFFAOYSA-N 1 2 240.322 1.601 20 0 BDADLO O=C(C1=CCCC1)N1CCC[N@H+](CCF)CC1 ZINC000980963342 635307155 /nfs/dbraw/zinc/30/71/55/635307155.db2.gz XSMPCBSRXQDLCS-UHFFFAOYSA-N 1 2 240.322 1.601 20 0 BDADLO CC[C@H](CO)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000931765085 635325439 /nfs/dbraw/zinc/32/54/39/635325439.db2.gz BEEXTGKFPLBPFX-MRVPVSSYSA-N 1 2 227.308 1.228 20 0 BDADLO CC[C@H](CO)[NH2+][C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000931772191 635334767 /nfs/dbraw/zinc/33/47/67/635334767.db2.gz KTZZGOJWMNICHZ-MNOVXSKESA-N 1 2 243.347 1.467 20 0 BDADLO CNc1cc(N2CCC[C@@H](CCO)C2)nc[nH+]1 ZINC000227447389 635448767 /nfs/dbraw/zinc/44/87/67/635448767.db2.gz VHZSCWNJHXMXHB-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CCC[C@@H](CCO)C2)[nH+]cn1 ZINC000227447389 635448773 /nfs/dbraw/zinc/44/87/73/635448773.db2.gz VHZSCWNJHXMXHB-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CCCCNC(=S)NCCn1cc[nH+]c1 ZINC000048040941 635800768 /nfs/dbraw/zinc/80/07/68/635800768.db2.gz JZTOMYLGGHJMLA-UHFFFAOYSA-N 1 2 226.349 1.147 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC000928550137 636082920 /nfs/dbraw/zinc/08/29/20/636082920.db2.gz CPGGVVQRPPNBHV-SSDOTTSWSA-N 1 2 228.292 1.321 20 0 BDADLO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC000928550137 636082921 /nfs/dbraw/zinc/08/29/21/636082921.db2.gz CPGGVVQRPPNBHV-SSDOTTSWSA-N 1 2 228.292 1.321 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ncco2)o1 ZINC000925123553 636121283 /nfs/dbraw/zinc/12/12/83/636121283.db2.gz MHCOJOPXAXSFBT-NXEZZACHSA-N 1 2 236.271 1.960 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)CNc2cccc[nH+]2)O1 ZINC000909581371 636285329 /nfs/dbraw/zinc/28/53/29/636285329.db2.gz QMTYJGKIRHHCAO-WDEREUQCSA-N 1 2 249.314 1.177 20 0 BDADLO Cc1cc(C)c(NC(=O)C2=COCCO2)c(C)[nH+]1 ZINC000192679269 636351030 /nfs/dbraw/zinc/35/10/30/636351030.db2.gz APNVIQBHVMIXQS-UHFFFAOYSA-N 1 2 248.282 1.834 20 0 BDADLO CC1(C)C[N@H+](Cc2cnn(CCF)c2)CCO1 ZINC000929118678 636808626 /nfs/dbraw/zinc/80/86/26/636808626.db2.gz RPVIOTJABRKBRL-UHFFFAOYSA-N 1 2 241.310 1.463 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnn(CCF)c2)CCO1 ZINC000929118678 636808632 /nfs/dbraw/zinc/80/86/32/636808632.db2.gz RPVIOTJABRKBRL-UHFFFAOYSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CCO)c(Cl)n1 ZINC000842040949 636822154 /nfs/dbraw/zinc/82/21/54/636822154.db2.gz RZOUNVLGDVXOCY-UHFFFAOYSA-N 1 2 243.694 1.424 20 0 BDADLO C[C@H](c1nc(Cc2ccncc2)no1)[NH+](C)C ZINC000923803495 637021211 /nfs/dbraw/zinc/02/12/11/637021211.db2.gz KLNLJWYNXPQYLW-SECBINFHSA-N 1 2 232.287 1.678 20 0 BDADLO COc1ccnc([C@H](C)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000924746211 637068683 /nfs/dbraw/zinc/06/86/83/637068683.db2.gz FKHGDDPDPSXCRJ-RYUDHWBXSA-N 1 2 249.358 1.835 20 0 BDADLO COc1ccnc([C@H](C)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000924746211 637068688 /nfs/dbraw/zinc/06/86/88/637068688.db2.gz FKHGDDPDPSXCRJ-RYUDHWBXSA-N 1 2 249.358 1.835 20 0 BDADLO CC(C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900137284 637172111 /nfs/dbraw/zinc/17/21/11/637172111.db2.gz ZOPSFUHBDOXWQX-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO C[C@@H]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900141839 637174385 /nfs/dbraw/zinc/17/43/85/637174385.db2.gz RIYWICKQUPWXHK-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000903437730 637363369 /nfs/dbraw/zinc/36/33/69/637363369.db2.gz QFTGAIUMLZYMTL-AQUOVQTQSA-N 1 2 235.331 1.794 20 0 BDADLO Cc1[nH+]cc(-c2cnc3cnn(C)c3c2)n1C ZINC000904872388 637518137 /nfs/dbraw/zinc/51/81/37/637518137.db2.gz MBCLQILVLSJHEO-UHFFFAOYSA-N 1 2 227.271 1.677 20 0 BDADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)C1(O)CCC1 ZINC000905263794 637716946 /nfs/dbraw/zinc/71/69/46/637716946.db2.gz WVYPHJQLDYHYSQ-RKDXNWHRSA-N 1 2 235.274 1.040 20 0 BDADLO FCCn1cc(CNc2cccc[nH+]2)cn1 ZINC000905406260 637797561 /nfs/dbraw/zinc/79/75/61/637797561.db2.gz KQDPTRLZSAUHAD-UHFFFAOYSA-N 1 2 220.251 1.860 20 0 BDADLO CCOC(C)(C)C[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000905765490 637920726 /nfs/dbraw/zinc/92/07/26/637920726.db2.gz OUZLWICFXJUCOO-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO CC(C)/C=C/c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817967 637944912 /nfs/dbraw/zinc/94/49/12/637944912.db2.gz XHZDRBNXVZVPHE-HWKANZROSA-N 1 2 243.314 1.973 20 0 BDADLO O=[S@@](CCn1cc[nH+]c1)C(F)(F)F ZINC000905875505 637958168 /nfs/dbraw/zinc/95/81/68/637958168.db2.gz PTWPXPNNMPPNSN-ZDUSSCGKSA-N 1 2 212.196 1.152 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOC2CC2)n1 ZINC000905845694 637960211 /nfs/dbraw/zinc/96/02/11/637960211.db2.gz IJYJUWMCOXOXQM-SSDOTTSWSA-N 1 2 211.265 1.208 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@@H](C)O)c(C)[nH+]1 ZINC000906048092 638036822 /nfs/dbraw/zinc/03/68/22/638036822.db2.gz XLQQGUHEPJYSFY-SECBINFHSA-N 1 2 222.288 1.117 20 0 BDADLO CCc1[nH]cnc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000906662109 638229510 /nfs/dbraw/zinc/22/95/10/638229510.db2.gz VGZDCMUILZAFNY-UHFFFAOYSA-N 1 2 230.271 1.350 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@H](O)C2CC2)c(C)[nH+]1 ZINC000906988956 638285263 /nfs/dbraw/zinc/28/52/63/638285263.db2.gz XJHAPRIZWKLNRA-LBPRGKRZSA-N 1 2 248.326 1.508 20 0 BDADLO Cc1cc(C)c(C(=O)NCC2(CO)CC2)c(C)[nH+]1 ZINC000906993998 638286686 /nfs/dbraw/zinc/28/66/86/638286686.db2.gz MOJVKPYFOJNZIT-UHFFFAOYSA-N 1 2 248.326 1.509 20 0 BDADLO C/C(Cl)=C/C(=O)NCCc1c[nH+]cn1C ZINC000907309030 638338526 /nfs/dbraw/zinc/33/85/26/638338526.db2.gz YYVNPLLEQRYBSH-YVMONPNESA-N 1 2 227.695 1.221 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@@H](OCC)C1 ZINC000043447884 638347594 /nfs/dbraw/zinc/34/75/94/638347594.db2.gz XOPIVZTUSQTDPS-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@@H](OCC)C1 ZINC000043447884 638347596 /nfs/dbraw/zinc/34/75/96/638347596.db2.gz XOPIVZTUSQTDPS-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CN(C[C@@H]1CC=CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907328806 638356837 /nfs/dbraw/zinc/35/68/37/638356837.db2.gz UTNHBIRJFHJFTG-LLVKDONJSA-N 1 2 233.315 1.767 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000907360677 638361287 /nfs/dbraw/zinc/36/12/87/638361287.db2.gz DUVTUECLWUMYSU-OUAUKWLOSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907971988 638530860 /nfs/dbraw/zinc/53/08/60/638530860.db2.gz DWHJBTDDYXZHIR-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO CO[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000908008502 638545383 /nfs/dbraw/zinc/54/53/83/638545383.db2.gz UHBGBTJADMPZMB-QWRGUYRKSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000908079699 638567619 /nfs/dbraw/zinc/56/76/19/638567619.db2.gz MAHDWMNGNZOVIK-NWDGAFQWSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000908079697 638567978 /nfs/dbraw/zinc/56/79/78/638567978.db2.gz MAHDWMNGNZOVIK-NEPJUHHUSA-N 1 2 249.314 1.122 20 0 BDADLO COC[C@H]1CCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC000908409853 638698776 /nfs/dbraw/zinc/69/87/76/638698776.db2.gz UMERVMFZBUYMJP-GFCCVEGCSA-N 1 2 248.326 1.868 20 0 BDADLO CC(F)(F)CNC(=O)CNc1cccc[nH+]1 ZINC000908423488 638704033 /nfs/dbraw/zinc/70/40/33/638704033.db2.gz PNIYJCSWVUNLSZ-UHFFFAOYSA-N 1 2 229.230 1.265 20 0 BDADLO CO[C@@H](CNC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000908430045 638709284 /nfs/dbraw/zinc/70/92/84/638709284.db2.gz FPWRIBVGUXUYFZ-NSHDSACASA-N 1 2 249.314 1.035 20 0 BDADLO CC(F)(F)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908511633 639003967 /nfs/dbraw/zinc/00/39/67/639003967.db2.gz IPOFCZJVHNNGAH-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO Cc1nocc1CNC(=O)CNc1cccc[nH+]1 ZINC000908612724 639034028 /nfs/dbraw/zinc/03/40/28/639034028.db2.gz UBARVFXAZMDELL-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BDADLO CC/C=C\CNC(=O)CNc1cccc[nH+]1 ZINC000908672251 639048813 /nfs/dbraw/zinc/04/88/13/639048813.db2.gz AHMBZWOQPZANAS-HYXAFXHYSA-N 1 2 219.288 1.576 20 0 BDADLO C/C(=C(\F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000908761846 639063930 /nfs/dbraw/zinc/06/39/30/639063930.db2.gz YLLONHFJJNEKSN-ZDIKFAODSA-N 1 2 249.289 1.578 20 0 BDADLO C/C(Cl)=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856583 639232805 /nfs/dbraw/zinc/23/28/05/639232805.db2.gz OJZOWOHPGFFJAF-YVMONPNESA-N 1 2 227.695 1.221 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000910407264 639436794 /nfs/dbraw/zinc/43/67/94/639436794.db2.gz XXUJDPHHOANMSA-DGCLKSJQSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@H](C(=O)Nc1cc(F)cc(F)c1O)[NH+](C)C ZINC000910982117 639556113 /nfs/dbraw/zinc/55/61/13/639556113.db2.gz LQUZWFATQWCLMF-LURJTMIESA-N 1 2 244.241 1.559 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000930245672 639656560 /nfs/dbraw/zinc/65/65/60/639656560.db2.gz SIFIBMBDQFLUSV-NRFYAWERSA-N 1 2 229.295 1.786 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000930245672 639656565 /nfs/dbraw/zinc/65/65/65/639656565.db2.gz SIFIBMBDQFLUSV-NRFYAWERSA-N 1 2 229.295 1.786 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000930245671 639657151 /nfs/dbraw/zinc/65/71/51/639657151.db2.gz SIFIBMBDQFLUSV-NNOMMRTBSA-N 1 2 229.295 1.786 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000930245671 639657154 /nfs/dbraw/zinc/65/71/54/639657154.db2.gz SIFIBMBDQFLUSV-NNOMMRTBSA-N 1 2 229.295 1.786 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930267256 639669687 /nfs/dbraw/zinc/66/96/87/639669687.db2.gz GOABPMWHHXPIJX-NXEZZACHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930267256 639669690 /nfs/dbraw/zinc/66/96/90/639669690.db2.gz GOABPMWHHXPIJX-NXEZZACHSA-N 1 2 241.360 1.664 20 0 BDADLO O[C@H](C[N@@H+]1Cc2cccnc2C1)C1(O)CCCC1 ZINC000930307575 639692419 /nfs/dbraw/zinc/69/24/19/639692419.db2.gz RBRIUWALEZEPSR-CYBMUJFWSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@H](C[N@H+]1Cc2cccnc2C1)C1(O)CCCC1 ZINC000930307575 639692425 /nfs/dbraw/zinc/69/24/25/639692425.db2.gz RBRIUWALEZEPSR-CYBMUJFWSA-N 1 2 248.326 1.063 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1c(F)cccc1F ZINC000930580842 639814019 /nfs/dbraw/zinc/81/40/19/639814019.db2.gz MDVWHEVUFRWUEP-PELKAZGASA-N 1 2 245.269 1.138 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@@H+](C)Cc1c(F)cccc1F ZINC000930580842 639814020 /nfs/dbraw/zinc/81/40/20/639814020.db2.gz MDVWHEVUFRWUEP-PELKAZGASA-N 1 2 245.269 1.138 20 0 BDADLO c1cc(CC[N@@H+](C2CC2)C2COC2)sn1 ZINC000930598140 639816016 /nfs/dbraw/zinc/81/60/16/639816016.db2.gz PHWJMSWYAPMHRT-UHFFFAOYSA-N 1 2 224.329 1.549 20 0 BDADLO c1cc(CC[N@H+](C2CC2)C2COC2)sn1 ZINC000930598140 639816015 /nfs/dbraw/zinc/81/60/15/639816015.db2.gz PHWJMSWYAPMHRT-UHFFFAOYSA-N 1 2 224.329 1.549 20 0 BDADLO FCCn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000930603219 639817253 /nfs/dbraw/zinc/81/72/53/639817253.db2.gz IYSGVVQYACVICR-JTQLQIEISA-N 1 2 215.247 1.396 20 0 BDADLO FCCn1cc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000930603219 639817254 /nfs/dbraw/zinc/81/72/54/639817254.db2.gz IYSGVVQYACVICR-JTQLQIEISA-N 1 2 215.247 1.396 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nncs2)C[C@@H]1C ZINC000930637717 639835825 /nfs/dbraw/zinc/83/58/25/639835825.db2.gz LWEUTIYETLWXQK-DTWKUNHWSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nncs2)C[C@@H]1C ZINC000930637717 639835830 /nfs/dbraw/zinc/83/58/30/639835830.db2.gz LWEUTIYETLWXQK-DTWKUNHWSA-N 1 2 227.333 1.395 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2CC(C)C2)C1 ZINC000930647878 639843794 /nfs/dbraw/zinc/84/37/94/639843794.db2.gz UKCFSNHPTHNCPU-UHFFFAOYSA-N 1 2 231.361 1.151 20 0 BDADLO OC1([C@H]2CCCC[N@@H+]2Cc2nncs2)CC1 ZINC000930693831 639864164 /nfs/dbraw/zinc/86/41/64/639864164.db2.gz UJRLLNHXRWBFLX-SECBINFHSA-N 1 2 239.344 1.418 20 0 BDADLO OC1([C@H]2CCCC[N@H+]2Cc2nncs2)CC1 ZINC000930693831 639864166 /nfs/dbraw/zinc/86/41/66/639864166.db2.gz UJRLLNHXRWBFLX-SECBINFHSA-N 1 2 239.344 1.418 20 0 BDADLO COC/C(C)=C\C[NH2+][C@H](C)c1csnn1 ZINC000930726783 639880456 /nfs/dbraw/zinc/88/04/56/639880456.db2.gz PODVVKOHNUGYKZ-USYJTPIQSA-N 1 2 227.333 1.781 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000930821874 639923237 /nfs/dbraw/zinc/92/32/37/639923237.db2.gz XBLFTNJIGVZLAF-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000930821874 639923240 /nfs/dbraw/zinc/92/32/40/639923240.db2.gz XBLFTNJIGVZLAF-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000930855138 639951024 /nfs/dbraw/zinc/95/10/24/639951024.db2.gz AQXBUZKNJBEGPF-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000930855138 639951028 /nfs/dbraw/zinc/95/10/28/639951028.db2.gz AQXBUZKNJBEGPF-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO CC1(C)C[C@](C)([NH2+]CCCF)C(=O)O1 ZINC000930875807 639964318 /nfs/dbraw/zinc/96/43/18/639964318.db2.gz PMGDDRUYRYUXFA-JTQLQIEISA-N 1 2 203.257 1.420 20 0 BDADLO C[C@@H](O)CCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930874436 639965973 /nfs/dbraw/zinc/96/59/73/639965973.db2.gz PVDSFDAQMVATCE-BXKDBHETSA-N 1 2 229.320 1.221 20 0 BDADLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1nncs1)C2 ZINC000930971598 640008017 /nfs/dbraw/zinc/00/80/17/640008017.db2.gz SCWQTNWQJYIFJM-PHIMTYICSA-N 1 2 239.344 1.397 20 0 BDADLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1nncs1)C2 ZINC000930971598 640008032 /nfs/dbraw/zinc/00/80/32/640008032.db2.gz SCWQTNWQJYIFJM-PHIMTYICSA-N 1 2 239.344 1.397 20 0 BDADLO COCC[N@H+](CCF)CCc1ccns1 ZINC000930975104 640008779 /nfs/dbraw/zinc/00/87/79/640008779.db2.gz ZSHSJLZGGNLHRZ-UHFFFAOYSA-N 1 2 232.324 1.604 20 0 BDADLO COCC[N@@H+](CCF)CCc1ccns1 ZINC000930975104 640008784 /nfs/dbraw/zinc/00/87/84/640008784.db2.gz ZSHSJLZGGNLHRZ-UHFFFAOYSA-N 1 2 232.324 1.604 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931081190 640062658 /nfs/dbraw/zinc/06/26/58/640062658.db2.gz XAPVEFZRTJKXJL-YCGNWBHESA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931081190 640062661 /nfs/dbraw/zinc/06/26/61/640062661.db2.gz XAPVEFZRTJKXJL-YCGNWBHESA-N 1 2 249.301 1.935 20 0 BDADLO FCC[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931106688 640067451 /nfs/dbraw/zinc/06/74/51/640067451.db2.gz PVZCDZQYDFKJLX-UHFFFAOYSA-N 1 2 239.294 1.243 20 0 BDADLO FCC[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931106688 640067456 /nfs/dbraw/zinc/06/74/56/640067456.db2.gz PVZCDZQYDFKJLX-UHFFFAOYSA-N 1 2 239.294 1.243 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC=CC12CCCCC2 ZINC000912472258 640088715 /nfs/dbraw/zinc/08/87/15/640088715.db2.gz OEGAUKWAEUNLPN-UHFFFAOYSA-N 1 2 245.326 1.984 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000912502862 640099891 /nfs/dbraw/zinc/09/98/91/640099891.db2.gz JITCHHPBXLBYLI-JBLDHEPKSA-N 1 2 233.315 1.505 20 0 BDADLO C[N@H+](CCCC1CCCC1)C1CS(=O)(=O)C1 ZINC000931239761 640111306 /nfs/dbraw/zinc/11/13/06/640111306.db2.gz FMWFAQRPMOVJDM-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO C[N@@H+](CCCC1CCCC1)C1CS(=O)(=O)C1 ZINC000931239761 640111312 /nfs/dbraw/zinc/11/13/12/640111312.db2.gz FMWFAQRPMOVJDM-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1c(F)cncc1F ZINC000931258498 640116892 /nfs/dbraw/zinc/11/68/92/640116892.db2.gz WZMAEYVIPIBVPL-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1c(F)cncc1F ZINC000931258498 640116897 /nfs/dbraw/zinc/11/68/97/640116897.db2.gz WZMAEYVIPIBVPL-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC000931258608 640118966 /nfs/dbraw/zinc/11/89/66/640118966.db2.gz YIYNEQFTPATUFX-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nncs1 ZINC000931258608 640118968 /nfs/dbraw/zinc/11/89/68/640118968.db2.gz YIYNEQFTPATUFX-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C/C=C(/C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615819 640140453 /nfs/dbraw/zinc/14/04/53/640140453.db2.gz RCKOXNUYYLFQIJ-YHYXMXQVSA-N 1 2 221.304 1.701 20 0 BDADLO CCSC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000912680196 640163298 /nfs/dbraw/zinc/16/32/98/640163298.db2.gz LRYSGXCJWJENQN-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO Cc1nccnc1C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931468263 640226380 /nfs/dbraw/zinc/22/63/80/640226380.db2.gz WXNIZQOFQXVOSJ-SECBINFHSA-N 1 2 243.314 1.627 20 0 BDADLO Cc1nccnc1C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931468263 640226383 /nfs/dbraw/zinc/22/63/83/640226383.db2.gz WXNIZQOFQXVOSJ-SECBINFHSA-N 1 2 243.314 1.627 20 0 BDADLO O=C(NCCC1CCC1)NCCn1cc[nH+]c1 ZINC000150952875 640229257 /nfs/dbraw/zinc/22/92/57/640229257.db2.gz SFUSNEDZIUSBQV-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+][C@H](CC)CO ZINC000931614513 640289843 /nfs/dbraw/zinc/28/98/43/640289843.db2.gz WQFUPEUOPGCWEM-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000913057527 640295366 /nfs/dbraw/zinc/29/53/66/640295366.db2.gz OOSGXUQMUSGYKQ-VIFPVBQESA-N 1 2 237.328 1.708 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000913057527 640295377 /nfs/dbraw/zinc/29/53/77/640295377.db2.gz OOSGXUQMUSGYKQ-VIFPVBQESA-N 1 2 237.328 1.708 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000913057889 640295638 /nfs/dbraw/zinc/29/56/38/640295638.db2.gz ZFTUWPWXJUAOMV-RNFRBKRXSA-N 1 2 234.284 1.608 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000913057889 640295641 /nfs/dbraw/zinc/29/56/41/640295641.db2.gz ZFTUWPWXJUAOMV-RNFRBKRXSA-N 1 2 234.284 1.608 20 0 BDADLO FC[C@H]1CC[N@H+](Cc2nncs2)C1 ZINC000931686759 640315523 /nfs/dbraw/zinc/31/55/23/640315523.db2.gz MYCJCJYKKXUXDL-SSDOTTSWSA-N 1 2 201.270 1.330 20 0 BDADLO FC[C@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000931686759 640315534 /nfs/dbraw/zinc/31/55/34/640315534.db2.gz MYCJCJYKKXUXDL-SSDOTTSWSA-N 1 2 201.270 1.330 20 0 BDADLO CCCCc1nc(C[NH2+][C@H](CC)CO)no1 ZINC000931766474 640359687 /nfs/dbraw/zinc/35/96/87/640359687.db2.gz GOSPEAIHWHTIGY-SECBINFHSA-N 1 2 227.308 1.273 20 0 BDADLO C/C=C(\CC)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913451155 640372716 /nfs/dbraw/zinc/37/27/16/640372716.db2.gz KBCFYWSAMDLWTK-IYMAKHKGSA-N 1 2 248.330 1.239 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000931886374 640384715 /nfs/dbraw/zinc/38/47/15/640384715.db2.gz KTRHTEQYCBCAMJ-IJLUTSLNSA-N 1 2 249.314 1.082 20 0 BDADLO C/C(=C\C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000054852267 640412946 /nfs/dbraw/zinc/41/29/46/640412946.db2.gz MPLUKAMPIBOFBI-PKNBQFBNSA-N 1 2 233.315 1.746 20 0 BDADLO C/C(=C/C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000054852269 640413609 /nfs/dbraw/zinc/41/36/09/640413609.db2.gz MPLUKAMPIBOFBI-LUAWRHEFSA-N 1 2 233.315 1.746 20 0 BDADLO Cn1cc(CNc2ccc([NH+](C)C)cc2)nn1 ZINC000054859241 640416526 /nfs/dbraw/zinc/41/65/26/640416526.db2.gz SRQYYASVTCQMFO-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@H](C)CC1 ZINC000932337520 640480081 /nfs/dbraw/zinc/48/00/81/640480081.db2.gz TXQQWTBOYXVUDV-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@H](C)CC1 ZINC000932337520 640480084 /nfs/dbraw/zinc/48/00/84/640480084.db2.gz TXQQWTBOYXVUDV-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccn2C)CCO1 ZINC000932341953 640484762 /nfs/dbraw/zinc/48/47/62/640484762.db2.gz LLUMQGYXDRKKNR-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccn2C)CCO1 ZINC000932341953 640484764 /nfs/dbraw/zinc/48/47/64/640484764.db2.gz LLUMQGYXDRKKNR-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932346526 640486510 /nfs/dbraw/zinc/48/65/10/640486510.db2.gz VKZIOOVQSHYNLM-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000932346526 640486518 /nfs/dbraw/zinc/48/65/18/640486518.db2.gz VKZIOOVQSHYNLM-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)(C)OC ZINC000932371199 640502097 /nfs/dbraw/zinc/50/20/97/640502097.db2.gz YGAJSDWEGNPXRK-ZJUUUORDSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@H]1COC[C@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000932488187 640555049 /nfs/dbraw/zinc/55/50/49/640555049.db2.gz KNJXNGCRBGXPJL-WCBMZHEXSA-N 1 2 237.303 1.462 20 0 BDADLO Cc1cc(NC(=O)C2(C(C)C)COC2)cc[nH+]1 ZINC000932607484 640582667 /nfs/dbraw/zinc/58/26/67/640582667.db2.gz SWGGRQPOWYNLQP-UHFFFAOYSA-N 1 2 234.299 1.423 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000932978729 640660369 /nfs/dbraw/zinc/66/03/69/640660369.db2.gz AWCGPVJQJAGECM-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000932978729 640660374 /nfs/dbraw/zinc/66/03/74/640660374.db2.gz AWCGPVJQJAGECM-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933208430 640679983 /nfs/dbraw/zinc/67/99/83/640679983.db2.gz IXHCIWOGBLJCNF-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933208430 640679988 /nfs/dbraw/zinc/67/99/88/640679988.db2.gz IXHCIWOGBLJCNF-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CC1CC(C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030204537 640682537 /nfs/dbraw/zinc/68/25/37/640682537.db2.gz OMPJRDPZOFGTQM-UHFFFAOYSA-N 1 2 228.311 1.193 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cnoc1C ZINC000933219398 640682785 /nfs/dbraw/zinc/68/27/85/640682785.db2.gz ZANRKRRXZRRKDJ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnoc1C ZINC000933219398 640682791 /nfs/dbraw/zinc/68/27/91/640682791.db2.gz ZANRKRRXZRRKDJ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ccccn1)C2 ZINC000933258924 640692281 /nfs/dbraw/zinc/69/22/81/640692281.db2.gz JRBBNADDNYVVCG-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO O=C1C[N@@H+](CCCF)[C@@H](c2ccccc2)CN1 ZINC000933326244 640704544 /nfs/dbraw/zinc/70/45/44/640704544.db2.gz GJURTTVIIUQYJR-GFCCVEGCSA-N 1 2 236.290 1.519 20 0 BDADLO O=C1C[N@H+](CCCF)[C@@H](c2ccccc2)CN1 ZINC000933326244 640704546 /nfs/dbraw/zinc/70/45/46/640704546.db2.gz GJURTTVIIUQYJR-GFCCVEGCSA-N 1 2 236.290 1.519 20 0 BDADLO c1nsnc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933373190 640710083 /nfs/dbraw/zinc/71/00/83/640710083.db2.gz NIFASBGJHHUFRH-SNVBAGLBSA-N 1 2 239.344 1.729 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933877743 640779283 /nfs/dbraw/zinc/77/92/83/640779283.db2.gz GYMAEGMLRNBTKL-WDEREUQCSA-N 1 2 239.315 1.383 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)c(C)cn1 ZINC000933990568 640799864 /nfs/dbraw/zinc/79/98/64/640799864.db2.gz MRAFVLWPPYQABI-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)C(=O)OC(C)(C)C ZINC000227692873 640845536 /nfs/dbraw/zinc/84/55/36/640845536.db2.gz YPPPLXYTLOFWCD-HBNTYKKESA-N 1 2 243.347 1.467 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001030518770 640893170 /nfs/dbraw/zinc/89/31/70/640893170.db2.gz FXUFOYJAEMDSJP-NSHDSACASA-N 1 2 222.332 1.387 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(F)CCCC2)C1 ZINC001030577272 640924937 /nfs/dbraw/zinc/92/49/37/640924937.db2.gz NHNDDXXBXCUPTP-UHFFFAOYSA-N 1 2 214.284 1.089 20 0 BDADLO CCOC(=O)[C@@H](CCc1ccccc1)[NH2+]C ZINC000061625433 640977695 /nfs/dbraw/zinc/97/76/95/640977695.db2.gz DIHRRVDFQCKOFV-GFCCVEGCSA-N 1 2 221.300 1.770 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000230236434 641040726 /nfs/dbraw/zinc/04/07/26/641040726.db2.gz JAPQJIDQWWXIQK-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000230236434 641040730 /nfs/dbraw/zinc/04/07/30/641040730.db2.gz JAPQJIDQWWXIQK-SNVBAGLBSA-N 1 2 241.722 1.741 20 0 BDADLO CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000087805730 641050796 /nfs/dbraw/zinc/05/07/96/641050796.db2.gz FSMQJACKNWLGIX-UHFFFAOYSA-N 1 2 206.293 1.899 20 0 BDADLO CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000087805730 641050798 /nfs/dbraw/zinc/05/07/98/641050798.db2.gz FSMQJACKNWLGIX-UHFFFAOYSA-N 1 2 206.293 1.899 20 0 BDADLO CCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000087810740 641052481 /nfs/dbraw/zinc/05/24/81/641052481.db2.gz GOBAFPLRNBSFGX-QMMMGPOBSA-N 1 2 210.281 1.091 20 0 BDADLO CCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000087810740 641052485 /nfs/dbraw/zinc/05/24/85/641052485.db2.gz GOBAFPLRNBSFGX-QMMMGPOBSA-N 1 2 210.281 1.091 20 0 BDADLO CC[C@@H](COC)Nc1cc(NC)[nH+]cn1 ZINC000087831225 641062755 /nfs/dbraw/zinc/06/27/55/641062755.db2.gz SQNIIVHHCQNQFR-QMMMGPOBSA-N 1 2 210.281 1.355 20 0 BDADLO CC[C@@H](COC)Nc1cc(NC)nc[nH+]1 ZINC000087831225 641062757 /nfs/dbraw/zinc/06/27/57/641062757.db2.gz SQNIIVHHCQNQFR-QMMMGPOBSA-N 1 2 210.281 1.355 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@H](C)C2)nc[nH+]1 ZINC000087838349 641066111 /nfs/dbraw/zinc/06/61/11/641066111.db2.gz OYSFZEZLQQLZJP-DTORHVGOSA-N 1 2 206.293 1.611 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@H](C)C2)[nH+]cn1 ZINC000087838349 641066118 /nfs/dbraw/zinc/06/61/18/641066118.db2.gz OYSFZEZLQQLZJP-DTORHVGOSA-N 1 2 206.293 1.611 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934110317 641073226 /nfs/dbraw/zinc/07/32/26/641073226.db2.gz YLMSXNUXSKEIEL-VXGBXAGGSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[C@H]2OC)n1 ZINC000934110317 641073233 /nfs/dbraw/zinc/07/32/33/641073233.db2.gz YLMSXNUXSKEIEL-VXGBXAGGSA-N 1 2 238.335 1.216 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cscn1 ZINC000934128628 641085355 /nfs/dbraw/zinc/08/53/55/641085355.db2.gz SVPXXJDLGAPROP-ZJUUUORDSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cscn1 ZINC000934128628 641085357 /nfs/dbraw/zinc/08/53/57/641085357.db2.gz SVPXXJDLGAPROP-ZJUUUORDSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000934123014 641085381 /nfs/dbraw/zinc/08/53/81/641085381.db2.gz IZHRIEJODAEZSP-SZEHBUNVSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000934123014 641085384 /nfs/dbraw/zinc/08/53/84/641085384.db2.gz IZHRIEJODAEZSP-SZEHBUNVSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000934123015 641086650 /nfs/dbraw/zinc/08/66/50/641086650.db2.gz IZHRIEJODAEZSP-UJNFCWOMSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000934123015 641086653 /nfs/dbraw/zinc/08/66/53/641086653.db2.gz IZHRIEJODAEZSP-UJNFCWOMSA-N 1 2 225.292 1.548 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934132904 641088679 /nfs/dbraw/zinc/08/86/79/641088679.db2.gz TVEUPBQVJIBTTR-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)n1 ZINC000934132904 641088681 /nfs/dbraw/zinc/08/86/81/641088681.db2.gz TVEUPBQVJIBTTR-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@@]1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000934139590 641090697 /nfs/dbraw/zinc/09/06/97/641090697.db2.gz IQMKCYMTPCNOPV-CYBMUJFWSA-N 1 2 245.282 1.160 20 0 BDADLO COC[C@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000088001114 641146963 /nfs/dbraw/zinc/14/69/63/641146963.db2.gz FUZZPCYWPFZQSY-QMMMGPOBSA-N 1 2 211.265 1.373 20 0 BDADLO COC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000231276488 641152399 /nfs/dbraw/zinc/15/23/99/641152399.db2.gz WQPWOORRRFULPP-UHFFFAOYSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cnc(N)cn1 ZINC000231300151 641158371 /nfs/dbraw/zinc/15/83/71/641158371.db2.gz ICSVOGUETGTZOD-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cnc(N)cn1 ZINC000231300151 641158376 /nfs/dbraw/zinc/15/83/76/641158376.db2.gz ICSVOGUETGTZOD-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO CNc1cc(N[C@@H]2CCSC2)nc[nH+]1 ZINC000231447967 641174865 /nfs/dbraw/zinc/17/48/65/641174865.db2.gz YNGNNPJUZANWAB-SSDOTTSWSA-N 1 2 210.306 1.436 20 0 BDADLO CNc1cc(N[C@@H]2CCSC2)[nH+]cn1 ZINC000231447967 641174869 /nfs/dbraw/zinc/17/48/69/641174869.db2.gz YNGNNPJUZANWAB-SSDOTTSWSA-N 1 2 210.306 1.436 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934565979 641196483 /nfs/dbraw/zinc/19/64/83/641196483.db2.gz JGKLPIJDUUWDIL-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccncc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934565979 641196486 /nfs/dbraw/zinc/19/64/86/641196486.db2.gz JGKLPIJDUUWDIL-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC000088001078 641225346 /nfs/dbraw/zinc/22/53/46/641225346.db2.gz BGFMHOJFXOVWGG-VIFPVBQESA-N 1 2 219.244 1.383 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cscc2C)no1 ZINC000088001257 641225577 /nfs/dbraw/zinc/22/55/77/641225577.db2.gz LTNSQHDDKVXBEJ-QMMMGPOBSA-N 1 2 239.300 1.753 20 0 BDADLO CC[C@H]([NH3+])c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232349082 641265398 /nfs/dbraw/zinc/26/53/98/641265398.db2.gz PZKYXUBEBNMHEH-QMMMGPOBSA-N 1 2 237.234 1.991 20 0 BDADLO C[C@H](CCO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934802906 641277391 /nfs/dbraw/zinc/27/73/91/641277391.db2.gz VAERRRMLWKYVCK-SECBINFHSA-N 1 2 247.298 1.311 20 0 BDADLO CO[C@@H](C[NH2+]C(C)(C)C(=O)OC(C)C)C1CC1 ZINC000934818485 641278913 /nfs/dbraw/zinc/27/89/13/641278913.db2.gz DNHKRGCTKBQPPA-NSHDSACASA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)C ZINC000934819905 641281206 /nfs/dbraw/zinc/28/12/06/641281206.db2.gz KSFYDUSNGSXIPD-VIFPVBQESA-N 1 2 217.309 1.077 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001030708277 641311941 /nfs/dbraw/zinc/31/19/41/641311941.db2.gz SKOVCPHNZGTSRF-IUODEOHRSA-N 1 2 248.370 1.943 20 0 BDADLO Cc1ccc(F)c(C[NH+](CCO)CCO)c1F ZINC000929514704 641340679 /nfs/dbraw/zinc/34/06/79/641340679.db2.gz WFTXQOUTOCAYSM-UHFFFAOYSA-N 1 2 245.269 1.060 20 0 BDADLO CC1(C(=O)NC2C[NH+](CCCF)C2)CCC1 ZINC001030796551 641357109 /nfs/dbraw/zinc/35/71/09/641357109.db2.gz BOPANTCTDQNACA-UHFFFAOYSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@@H](c1nc(Cc2ccncc2)no1)[NH+](C)C ZINC000350605608 641372902 /nfs/dbraw/zinc/37/29/02/641372902.db2.gz KLNLJWYNXPQYLW-VIFPVBQESA-N 1 2 232.287 1.678 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001030856718 641386945 /nfs/dbraw/zinc/38/69/45/641386945.db2.gz DORQGOLFAPHYRS-UHFFFAOYSA-N 1 2 233.315 1.326 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C)C=CCC1 ZINC000935331998 641386867 /nfs/dbraw/zinc/38/68/67/641386867.db2.gz VNKKZUDUUUGQHI-CYBMUJFWSA-N 1 2 233.315 1.435 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C[C@@H]2C[C@H]2C)C1 ZINC001030896719 641406948 /nfs/dbraw/zinc/40/69/48/641406948.db2.gz DJXOTPKYUHNWGE-NEPJUHHUSA-N 1 2 236.359 1.799 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030911559 641418023 /nfs/dbraw/zinc/41/80/23/641418023.db2.gz SHMNSXOTPXPRON-CMPLNLGQSA-N 1 2 224.348 1.633 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1OC2CCC1CC2 ZINC000913786342 641476158 /nfs/dbraw/zinc/47/61/58/641476158.db2.gz QYVHSOJGYJHDMU-UHFFFAOYSA-N 1 2 247.298 1.579 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC12CCC2 ZINC000913813255 641486222 /nfs/dbraw/zinc/48/62/22/641486222.db2.gz QZLFRLFDYAFLAL-SNVBAGLBSA-N 1 2 231.299 1.552 20 0 BDADLO CC1(CCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000935924967 641503119 /nfs/dbraw/zinc/50/31/19/641503119.db2.gz QCXYUACSEUXUHG-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)OC ZINC000936051420 641522983 /nfs/dbraw/zinc/52/29/83/641522983.db2.gz AOXORNXHTXCFDX-SNVBAGLBSA-N 1 2 247.298 1.718 20 0 BDADLO CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)OC ZINC000936051419 641523900 /nfs/dbraw/zinc/52/39/00/641523900.db2.gz AOXORNXHTXCFDX-JTQLQIEISA-N 1 2 247.298 1.718 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2CC(O)C2)s1 ZINC000442886099 641536983 /nfs/dbraw/zinc/53/69/83/641536983.db2.gz PXNIPVAGEJGHFV-UHFFFAOYSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2CC(O)C2)s1 ZINC000442886099 641536989 /nfs/dbraw/zinc/53/69/89/641536989.db2.gz PXNIPVAGEJGHFV-UHFFFAOYSA-N 1 2 227.333 1.049 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001030999789 641576228 /nfs/dbraw/zinc/57/62/28/641576228.db2.gz CUULRQSSKGQVNW-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO CCON(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000831454614 641596764 /nfs/dbraw/zinc/59/67/64/641596764.db2.gz OCZHWUGFDSYWQO-JTQLQIEISA-N 1 2 237.303 1.246 20 0 BDADLO c1cn(CCN2CCc3ccccc32)c[nH+]1 ZINC000156185652 641598018 /nfs/dbraw/zinc/59/80/18/641598018.db2.gz XLAIDMJSXRXVDM-UHFFFAOYSA-N 1 2 213.284 1.946 20 0 BDADLO Cc1ccc(NC(=O)c2cc[nH]n2)c(N(C)C)[nH+]1 ZINC000152604474 641621328 /nfs/dbraw/zinc/62/13/28/641621328.db2.gz VJTMRBOITNRQSS-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO CC(C)(CNC(=O)Cc1c[nH]c[nH+]1)CC(F)F ZINC000914378294 641653728 /nfs/dbraw/zinc/65/37/28/641653728.db2.gz XGZQIPGQFHECQD-UHFFFAOYSA-N 1 2 245.273 1.750 20 0 BDADLO CN(C)c1noc([C@@H]([NH3+])c2ccccc2)n1 ZINC000159087332 641663339 /nfs/dbraw/zinc/66/33/39/641663339.db2.gz IPYZVIOXCRDRBM-VIFPVBQESA-N 1 2 218.260 1.184 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccccc2OC)no1 ZINC000159333537 641676308 /nfs/dbraw/zinc/67/63/08/641676308.db2.gz HKIJVHIVFUSNML-VIFPVBQESA-N 1 2 249.270 1.391 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000159342511 641676327 /nfs/dbraw/zinc/67/63/27/641676327.db2.gz VCHRXRDBRYWYTI-VIFPVBQESA-N 1 2 237.234 1.522 20 0 BDADLO CN1C[C@@H](CCNc2cccc[nH+]2)CC1=O ZINC000723360344 711508546 /nfs/dbraw/zinc/50/85/46/711508546.db2.gz WBJJNAIRCKAHLV-JTQLQIEISA-N 1 2 219.288 1.362 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccccc2OC)no1 ZINC000159333666 641677045 /nfs/dbraw/zinc/67/70/45/641677045.db2.gz HKIJVHIVFUSNML-SECBINFHSA-N 1 2 249.270 1.391 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914432768 641702550 /nfs/dbraw/zinc/70/25/50/641702550.db2.gz DNAQWVDZKBJQGJ-NEPJUHHUSA-N 1 2 221.304 1.233 20 0 BDADLO CC[NH+]1CC(NC(=O)c2csc(C)c2)C1 ZINC001031105999 641703760 /nfs/dbraw/zinc/70/37/60/641703760.db2.gz YPSMKFMAUNNQOI-UHFFFAOYSA-N 1 2 224.329 1.490 20 0 BDADLO CC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CCC1 ZINC001015530548 641733584 /nfs/dbraw/zinc/73/35/84/641733584.db2.gz VVYFQJTYMJTEJS-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CCC1 ZINC001015530548 641733589 /nfs/dbraw/zinc/73/35/89/641733589.db2.gz VVYFQJTYMJTEJS-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001031205396 641811868 /nfs/dbraw/zinc/81/18/68/641811868.db2.gz HNISHCKOACEBEE-LLVKDONJSA-N 1 2 222.332 1.387 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cnn(C)c2)cc[nH+]1 ZINC000732766298 641869234 /nfs/dbraw/zinc/86/92/34/641869234.db2.gz QGPJELFPYBIUFW-ARJAWSKDSA-N 1 2 242.282 1.197 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(Cl)cn2)C1 ZINC001031286622 641873785 /nfs/dbraw/zinc/87/37/85/641873785.db2.gz OXLKRIQYGHBQFA-UHFFFAOYSA-N 1 2 239.706 1.169 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccccc2Cl)C1 ZINC001031294872 641874537 /nfs/dbraw/zinc/87/45/37/641874537.db2.gz LMHFANZCZMZJQY-UHFFFAOYSA-N 1 2 238.718 1.774 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(C)c2C)C1 ZINC001031338926 641977079 /nfs/dbraw/zinc/97/70/79/641977079.db2.gz XQDKHNDNEKWJPL-UHFFFAOYSA-N 1 2 232.327 1.737 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000917043257 641994974 /nfs/dbraw/zinc/99/49/74/641994974.db2.gz FYQDYXSCHXERFW-SNVBAGLBSA-N 1 2 238.287 1.114 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001031469061 642184355 /nfs/dbraw/zinc/18/43/55/642184355.db2.gz FKZNXEFZEDBZOX-UHFFFAOYSA-N 1 2 238.375 1.879 20 0 BDADLO Cc1cc(N(C)CCO)nc(C2CCC2)[nH+]1 ZINC000891400679 642472786 /nfs/dbraw/zinc/47/27/86/642472786.db2.gz QSDMAHYTSMGRBK-UHFFFAOYSA-N 1 2 221.304 1.481 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@H]2CC)n1 ZINC000233548895 642680541 /nfs/dbraw/zinc/68/05/41/642680541.db2.gz NXCZLZHXFHWMGP-BDAKNGLRSA-N 1 2 225.292 1.462 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)NC1=NCCS1 ZINC000170900971 642831917 /nfs/dbraw/zinc/83/19/17/642831917.db2.gz RHGIGYRSZPPREB-SECBINFHSA-N 1 2 241.360 1.080 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)NC1=NCCS1 ZINC000170900971 642831918 /nfs/dbraw/zinc/83/19/18/642831918.db2.gz RHGIGYRSZPPREB-SECBINFHSA-N 1 2 241.360 1.080 20 0 BDADLO CCOC1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000181437539 642872204 /nfs/dbraw/zinc/87/22/04/642872204.db2.gz IQABQCPXSZKLTC-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCF)C1)C1CC1 ZINC001015586331 642911860 /nfs/dbraw/zinc/91/18/60/642911860.db2.gz WGORQJAHPZGEKZ-LLVKDONJSA-N 1 2 242.338 1.583 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC001015586331 642911867 /nfs/dbraw/zinc/91/18/67/642911867.db2.gz WGORQJAHPZGEKZ-LLVKDONJSA-N 1 2 242.338 1.583 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000069890315 642928049 /nfs/dbraw/zinc/92/80/49/642928049.db2.gz ALKXVGNRHXVWAY-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001016064873 642945735 /nfs/dbraw/zinc/94/57/35/642945735.db2.gz ZIGWLYOSULHKCU-SECBINFHSA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001016064873 642945749 /nfs/dbraw/zinc/94/57/49/642945749.db2.gz ZIGWLYOSULHKCU-SECBINFHSA-N 1 2 216.300 1.193 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)OC ZINC000252778597 643114515 /nfs/dbraw/zinc/11/45/15/643114515.db2.gz PISLRCBWXDOQGL-MMWGEVLESA-N 1 2 243.347 1.323 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCO[C@@H](C)CC2)o1 ZINC000932345767 643154835 /nfs/dbraw/zinc/15/48/35/643154835.db2.gz PSACOQGNQYMBQE-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCO[C@@H](C)CC2)o1 ZINC000932345767 643154841 /nfs/dbraw/zinc/15/48/41/643154841.db2.gz PSACOQGNQYMBQE-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]1C1CCCC1 ZINC000889416522 643170461 /nfs/dbraw/zinc/17/04/61/643170461.db2.gz XSUODMTUOBSGKW-GFCCVEGCSA-N 1 2 233.315 1.743 20 0 BDADLO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000249512733 643258389 /nfs/dbraw/zinc/25/83/89/643258389.db2.gz OPCHWBBOAALDTN-GARJFASQSA-N 1 2 243.372 1.956 20 0 BDADLO C/C=C/C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000082275507 643291174 /nfs/dbraw/zinc/29/11/74/643291174.db2.gz HVTHIIXLMKMDRI-NSCUHMNNSA-N 1 2 219.288 1.623 20 0 BDADLO CC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000082300414 643295728 /nfs/dbraw/zinc/29/57/28/643295728.db2.gz RBNVPDCTAKEZRW-SECBINFHSA-N 1 2 217.272 1.863 20 0 BDADLO Cc1cc(NC(=O)c2ccc[n+]([O-])c2)cc[nH+]1 ZINC000073138889 643399960 /nfs/dbraw/zinc/39/99/60/643399960.db2.gz GOWUDUZBUFAKML-UHFFFAOYSA-N 1 2 229.239 1.276 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000073261615 643420480 /nfs/dbraw/zinc/42/04/80/643420480.db2.gz XKHFXSUTMORZQW-RYEJSQLPSA-N 1 2 202.685 1.079 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000073261615 643420489 /nfs/dbraw/zinc/42/04/89/643420489.db2.gz XKHFXSUTMORZQW-RYEJSQLPSA-N 1 2 202.685 1.079 20 0 BDADLO CC(C)[S@](C)(=O)=NC(=O)CCc1c[nH]c[nH+]1 ZINC000926058040 643461936 /nfs/dbraw/zinc/46/19/36/643461936.db2.gz GNUXOJBIAMLPNN-INIZCTEOSA-N 1 2 243.332 1.375 20 0 BDADLO CC(C)[S@](C)(=O)=NC(=O)CCc1c[nH+]c[nH]1 ZINC000926058040 643461939 /nfs/dbraw/zinc/46/19/39/643461939.db2.gz GNUXOJBIAMLPNN-INIZCTEOSA-N 1 2 243.332 1.375 20 0 BDADLO COC(OC)[C@H](C)[NH2+]Cc1cscn1 ZINC000079608521 643490459 /nfs/dbraw/zinc/49/04/59/643490459.db2.gz AEDXAELCUMIMKH-ZETCQYMHSA-N 1 2 216.306 1.240 20 0 BDADLO CCC[C@H](C)C[N@@H+]1CCn2nnc(CO)c2C1 ZINC000813333908 643483796 /nfs/dbraw/zinc/48/37/96/643483796.db2.gz YYKGSXAMXYKCJC-JTQLQIEISA-N 1 2 238.335 1.022 20 0 BDADLO CCC[C@H](C)C[N@H+]1CCn2nnc(CO)c2C1 ZINC000813333908 643483799 /nfs/dbraw/zinc/48/37/99/643483799.db2.gz YYKGSXAMXYKCJC-JTQLQIEISA-N 1 2 238.335 1.022 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000084002395 643640187 /nfs/dbraw/zinc/64/01/87/643640187.db2.gz CDXCETXOKJTAQF-DTGHLQKHSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000084002395 643640192 /nfs/dbraw/zinc/64/01/92/643640192.db2.gz CDXCETXOKJTAQF-DTGHLQKHSA-N 1 2 227.304 1.215 20 0 BDADLO C[C@H](CC(=O)NOCCC1CC1)n1cc[nH+]c1 ZINC000846219181 643649145 /nfs/dbraw/zinc/64/91/45/643649145.db2.gz JJUMXCZQOOUUMD-SNVBAGLBSA-N 1 2 237.303 1.682 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)cnc1C ZINC000921875095 643815054 /nfs/dbraw/zinc/81/50/54/643815054.db2.gz SJFJAMGVHSEXNB-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CCCCO[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000085988404 643881325 /nfs/dbraw/zinc/88/13/25/643881325.db2.gz IDLDWVRJHXQFQR-SNVBAGLBSA-N 1 2 240.303 1.669 20 0 BDADLO CC(=O)CCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922180155 643893337 /nfs/dbraw/zinc/89/33/37/643893337.db2.gz UUSCNUCWXYDEKK-UHFFFAOYSA-N 1 2 222.244 1.076 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC2(CCC2)O1 ZINC000922228775 643910316 /nfs/dbraw/zinc/91/03/16/643910316.db2.gz NHCSBDZIOZRCTE-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@]12CCCO2 ZINC000922301270 643961263 /nfs/dbraw/zinc/96/12/63/643961263.db2.gz AHHTZIIGODMQFH-DGCLKSJQSA-N 1 2 249.314 1.101 20 0 BDADLO CCOCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922349630 643978633 /nfs/dbraw/zinc/97/86/33/643978633.db2.gz XJEAOZKUEGSTLB-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCCOC1 ZINC000922412292 643989524 /nfs/dbraw/zinc/98/95/24/643989524.db2.gz NQROYSTZDMDMOJ-JTQLQIEISA-N 1 2 236.271 1.134 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cccnc1N ZINC000922472981 643999185 /nfs/dbraw/zinc/99/91/85/643999185.db2.gz CNYPDQOYFJCUCX-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cccnc1N ZINC000922472981 643999214 /nfs/dbraw/zinc/99/92/14/643999214.db2.gz CNYPDQOYFJCUCX-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC1CC=CC1 ZINC000922516303 644005391 /nfs/dbraw/zinc/00/53/91/644005391.db2.gz WBLOECCFBIEVDA-UHFFFAOYSA-N 1 2 248.330 1.576 20 0 BDADLO CC1(C(=O)OCc2ccc(N)[nH+]c2)CCC1 ZINC000922509680 644008197 /nfs/dbraw/zinc/00/81/97/644008197.db2.gz AHBLNXNWIDXJBW-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C=C1CCC1 ZINC000922519646 644011760 /nfs/dbraw/zinc/01/17/60/644011760.db2.gz FOLYTXCZGVYZOO-UHFFFAOYSA-N 1 2 218.256 1.817 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CCSC2)c[nH+]1 ZINC000922529319 644017332 /nfs/dbraw/zinc/01/73/32/644017332.db2.gz CYYOGBBIBHSIPG-SECBINFHSA-N 1 2 238.312 1.460 20 0 BDADLO CCC[C@@](C)(O)C(=O)OCc1ccc[nH+]c1N ZINC000922543654 644018635 /nfs/dbraw/zinc/01/86/35/644018635.db2.gz FRYSKDODERCZRA-GFCCVEGCSA-N 1 2 238.287 1.258 20 0 BDADLO c1n[nH]cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922578185 644031265 /nfs/dbraw/zinc/03/12/65/644031265.db2.gz YRWLDFJBTIPMCA-LLVKDONJSA-N 1 2 229.287 1.441 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2C[C@]23CCOC3)c[nH+]1 ZINC000922613759 644041834 /nfs/dbraw/zinc/04/18/34/644041834.db2.gz KJDLYRWXIQVWQC-MFKMUULPSA-N 1 2 248.282 1.134 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922621150 644043267 /nfs/dbraw/zinc/04/32/67/644043267.db2.gz JPCXUJFAJXCGJK-MNOVXSKESA-N 1 2 234.299 1.999 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCc2ccc[nH+]c2N)CO1 ZINC000922631946 644046021 /nfs/dbraw/zinc/04/60/21/644046021.db2.gz XTUHCZVHAONEEX-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@@H](C(=O)OCc1ccc(N)[nH+]c1)C(C)(F)F ZINC000922765533 644088824 /nfs/dbraw/zinc/08/88/24/644088824.db2.gz BMFGQIWMQGSIMF-ZETCQYMHSA-N 1 2 244.241 1.998 20 0 BDADLO C[C@]1(C[NH2+]Cc2ccn[nH]2)CCCCO1 ZINC000922816698 644107493 /nfs/dbraw/zinc/10/74/93/644107493.db2.gz JYTXUWQRBDSXMX-LLVKDONJSA-N 1 2 209.293 1.459 20 0 BDADLO CCN(C(=O)c1cnco1)C1C[NH+](C(C)C)C1 ZINC000951012110 644156158 /nfs/dbraw/zinc/15/61/58/644156158.db2.gz FGARMPSSYIJXJY-UHFFFAOYSA-N 1 2 237.303 1.229 20 0 BDADLO C[C@@H]1CO[C@@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922940468 644194592 /nfs/dbraw/zinc/19/45/92/644194592.db2.gz BMBWQJKIYDUNLA-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922940460 644197359 /nfs/dbraw/zinc/19/73/59/644197359.db2.gz BMBWQJKIYDUNLA-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C3CC3)nn2C)on1 ZINC000922947798 644199484 /nfs/dbraw/zinc/19/94/84/644199484.db2.gz QETHCZKTUKAHGY-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC1(Cl)Cl ZINC000192918752 644200054 /nfs/dbraw/zinc/20/00/54/644200054.db2.gz IJBKYLUIIKDNEW-SSDOTTSWSA-N 1 2 248.113 1.193 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cncc(O)c1 ZINC000922975482 644205336 /nfs/dbraw/zinc/20/53/36/644205336.db2.gz GNKXNVFUYZBCCF-UHFFFAOYSA-N 1 2 236.300 1.237 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1ccc(C)nn1 ZINC000922982063 644213897 /nfs/dbraw/zinc/21/38/97/644213897.db2.gz MVUOBNSCHXSGPQ-UHFFFAOYSA-N 1 2 246.314 1.934 20 0 BDADLO CC[N@H+](CC(C)C)Cn1ncn(C)c1=S ZINC000193397759 644238955 /nfs/dbraw/zinc/23/89/55/644238955.db2.gz DCDRRSUHIVYTSF-UHFFFAOYSA-N 1 2 228.365 1.886 20 0 BDADLO CC[N@@H+](CC(C)C)Cn1ncn(C)c1=S ZINC000193397759 644238960 /nfs/dbraw/zinc/23/89/60/644238960.db2.gz DCDRRSUHIVYTSF-UHFFFAOYSA-N 1 2 228.365 1.886 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCC=CO1 ZINC000193676680 644271392 /nfs/dbraw/zinc/27/13/92/644271392.db2.gz YAHXBBRHWZAJLG-JTQLQIEISA-N 1 2 213.277 1.174 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000193676680 644271398 /nfs/dbraw/zinc/27/13/98/644271398.db2.gz YAHXBBRHWZAJLG-JTQLQIEISA-N 1 2 213.277 1.174 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086935585 644297467 /nfs/dbraw/zinc/29/74/67/644297467.db2.gz FAVIQRPEJBLVDB-CIUDSAMLSA-N 1 2 217.334 1.422 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CC[C@H](C)O)C(C)(C)C ZINC000839523830 644559382 /nfs/dbraw/zinc/55/93/82/644559382.db2.gz XCGPQIQZBQLYML-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO CO[C@@H](C)CC(=O)NCCNc1cccc[nH+]1 ZINC000749726864 644594719 /nfs/dbraw/zinc/59/47/19/644594719.db2.gz RQRFLGCTUWESTL-JTQLQIEISA-N 1 2 237.303 1.035 20 0 BDADLO Cc1nc(C)c(C(=O)OCc2c[nH+]cn2C)o1 ZINC000755706774 644618499 /nfs/dbraw/zinc/61/84/99/644618499.db2.gz WQSZWCKQWOQLSW-UHFFFAOYSA-N 1 2 235.243 1.382 20 0 BDADLO Cc1ccc(C[S@@](=O)Cc2cc[nH]n2)c(C)[nH+]1 ZINC000887371641 644666344 /nfs/dbraw/zinc/66/63/44/644666344.db2.gz ZZKSRRJXNYIAPB-QGZVFWFLSA-N 1 2 249.339 1.870 20 0 BDADLO C[C@H]1C[N@H+](CN2CCCC2=O)C[C@H](C2CC2)O1 ZINC000794654813 644804582 /nfs/dbraw/zinc/80/45/82/644804582.db2.gz QIVDWKHNDBOEIM-CMPLNLGQSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCCC2=O)C[C@H](C2CC2)O1 ZINC000794654813 644804585 /nfs/dbraw/zinc/80/45/85/644804585.db2.gz QIVDWKHNDBOEIM-CMPLNLGQSA-N 1 2 238.331 1.066 20 0 BDADLO CS[C@H]1CC[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000304536621 644916267 /nfs/dbraw/zinc/91/62/67/644916267.db2.gz VDWHXWVSOVQOIG-YUMQZZPRSA-N 1 2 239.348 1.458 20 0 BDADLO CS[C@H]1CC[C@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000304536621 644916272 /nfs/dbraw/zinc/91/62/72/644916272.db2.gz VDWHXWVSOVQOIG-YUMQZZPRSA-N 1 2 239.348 1.458 20 0 BDADLO O=C(NOCC1CC1)c1cccc2[nH+]ccn21 ZINC000817367831 644974576 /nfs/dbraw/zinc/97/45/76/644974576.db2.gz MABQAKRCVSUOAH-UHFFFAOYSA-N 1 2 231.255 1.406 20 0 BDADLO Cc1nonc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458109 644983145 /nfs/dbraw/zinc/98/31/45/644983145.db2.gz CCCGYJGMNNBQCO-UHFFFAOYSA-N 1 2 246.270 1.320 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)CC(C)(C)CO)n1 ZINC000824636206 645056972 /nfs/dbraw/zinc/05/69/72/645056972.db2.gz MKSOAYRSBCANDY-UHFFFAOYSA-N 1 2 240.351 1.057 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000824636206 645056976 /nfs/dbraw/zinc/05/69/76/645056976.db2.gz MKSOAYRSBCANDY-UHFFFAOYSA-N 1 2 240.351 1.057 20 0 BDADLO CSC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000829493915 645109587 /nfs/dbraw/zinc/10/95/87/645109587.db2.gz UIQZSDBAXZVUQX-UHFFFAOYSA-N 1 2 227.333 1.476 20 0 BDADLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(F)(F)F ZINC000836948557 645183173 /nfs/dbraw/zinc/18/31/73/645183173.db2.gz RMZXKRNSGKIQPX-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(F)(F)F ZINC000836948557 645183178 /nfs/dbraw/zinc/18/31/78/645183178.db2.gz RMZXKRNSGKIQPX-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)n(C)n1 ZINC000841870187 645235441 /nfs/dbraw/zinc/23/54/41/645235441.db2.gz WYKYLNDAOPKXNQ-SKDRFNHKSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)n(C)n1 ZINC000841870187 645235449 /nfs/dbraw/zinc/23/54/49/645235449.db2.gz WYKYLNDAOPKXNQ-SKDRFNHKSA-N 1 2 225.311 1.908 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cnn(C)n2)cn1 ZINC000926539747 645263096 /nfs/dbraw/zinc/26/30/96/645263096.db2.gz AHVHOFNUQXBQSI-UWVGGRQHSA-N 1 2 248.334 1.443 20 0 BDADLO Cc1ccnc([C@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)c1 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BDADLO CCc1nc(C)c(C[NH2+][C@H](C)c2cnnn2C)o1 ZINC000926482598 646656492 /nfs/dbraw/zinc/65/64/92/646656492.db2.gz YIDFCZGMRYPPJK-MRVPVSSYSA-N 1 2 249.318 1.525 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@H]1COC[C@H]1C)C(C)C ZINC000926524571 646666931 /nfs/dbraw/zinc/66/69/31/646666931.db2.gz PCRSPXNMEBDWAO-WOPDTQHZSA-N 1 2 243.347 1.587 20 0 BDADLO CCc1cc(NCCC(=O)NC)nc(CC)[nH+]1 ZINC000891901666 711557311 /nfs/dbraw/zinc/55/73/11/711557311.db2.gz DQEDPGBNSIIBLJ-UHFFFAOYSA-N 1 2 236.319 1.149 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000724222822 711571176 /nfs/dbraw/zinc/57/11/76/711571176.db2.gz CCZLSDMOIRLPGS-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000724222822 711571179 /nfs/dbraw/zinc/57/11/79/711571179.db2.gz CCZLSDMOIRLPGS-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCN1CCC[C@@H]([NH2+]Cc2cc(C)on2)C1=O ZINC000722359163 711746551 /nfs/dbraw/zinc/74/65/51/711746551.db2.gz HFYFDQZZDKETEP-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000307157846 711773510 /nfs/dbraw/zinc/77/35/10/711773510.db2.gz RDNXXUXFDNWRSM-POYBYMJQSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000307157846 711773512 /nfs/dbraw/zinc/77/35/12/711773512.db2.gz RDNXXUXFDNWRSM-POYBYMJQSA-N 1 2 232.736 1.609 20 0 BDADLO CCCC[C@](C)(CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000911530618 711819065 /nfs/dbraw/zinc/81/90/65/711819065.db2.gz LJTUKHLXLMUMHV-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO CC(C)SCC(=O)NCc1ccc(N)[nH+]c1 ZINC000700976988 712010983 /nfs/dbraw/zinc/01/09/83/712010983.db2.gz XRIVQCOKUCIKHC-UHFFFAOYSA-N 1 2 239.344 1.422 20 0 BDADLO COCC[NH2+]Cc1nc(CC2CCCC2)no1 ZINC000379089885 712369597 /nfs/dbraw/zinc/36/95/97/712369597.db2.gz HLQJLAAYQSKBSO-UHFFFAOYSA-N 1 2 239.319 1.538 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000379655816 712391530 /nfs/dbraw/zinc/39/15/30/712391530.db2.gz NFGTUVRMUGKRTF-MVSYMCDOSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000379655816 712391532 /nfs/dbraw/zinc/39/15/32/712391532.db2.gz NFGTUVRMUGKRTF-MVSYMCDOSA-N 1 2 241.331 1.605 20 0 BDADLO Nc1cc(COC(=O)C2CCC2)cc[nH+]1 ZINC000379781324 712399083 /nfs/dbraw/zinc/39/90/83/712399083.db2.gz GCWWINOITCRPEV-UHFFFAOYSA-N 1 2 206.245 1.337 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712447363 712430690 /nfs/dbraw/zinc/43/06/90/712430690.db2.gz YWZPZPSSFKNQIH-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712447363 712430691 /nfs/dbraw/zinc/43/06/91/712430691.db2.gz YWZPZPSSFKNQIH-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO C[N@@H+]1CC[C@H]1CNCc1nccn1C1CC1 ZINC000712565644 712446659 /nfs/dbraw/zinc/44/66/59/712446659.db2.gz PRMSZCHKOLUFME-NSHDSACASA-N 1 2 220.320 1.012 20 0 BDADLO C[N@H+]1CC[C@H]1CNCc1nccn1C1CC1 ZINC000712565644 712446661 /nfs/dbraw/zinc/44/66/61/712446661.db2.gz PRMSZCHKOLUFME-NSHDSACASA-N 1 2 220.320 1.012 20 0 BDADLO CCCn1cc([C@H](C)NC[C@@H]2CC[N@@H+]2C)nn1 ZINC000715936683 712544087 /nfs/dbraw/zinc/54/40/87/712544087.db2.gz SBWQDPIKEGDIHF-QWRGUYRKSA-N 1 2 237.351 1.043 20 0 BDADLO CCCn1cc([C@H](C)NC[C@@H]2CC[N@H+]2C)nn1 ZINC000715936683 712544089 /nfs/dbraw/zinc/54/40/89/712544089.db2.gz SBWQDPIKEGDIHF-QWRGUYRKSA-N 1 2 237.351 1.043 20 0 BDADLO OC[C@@H]([NH2+]Cc1nnsc1Cl)C1CC1 ZINC000389324287 712688955 /nfs/dbraw/zinc/68/89/55/712688955.db2.gz SMTAIRQYSHGQJB-SSDOTTSWSA-N 1 2 233.724 1.052 20 0 BDADLO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000384897542 712704354 /nfs/dbraw/zinc/70/43/54/712704354.db2.gz MTIJRJNQBNARAI-UWVGGRQHSA-N 1 2 245.363 1.856 20 0 BDADLO CO[C@@]1(C[NH2+]Cc2ccn[nH]2)CCSC1 ZINC000719270979 712802722 /nfs/dbraw/zinc/80/27/22/712802722.db2.gz WTDPAURMCDNEIH-SNVBAGLBSA-N 1 2 227.333 1.021 20 0 BDADLO COC(=O)C[N@H+](CCc1ccns1)C(C)C ZINC000719796004 712823299 /nfs/dbraw/zinc/82/32/99/712823299.db2.gz PUIRTCBCZZLPMO-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)C[N@@H+](CCc1ccns1)C(C)C ZINC000719796004 712823300 /nfs/dbraw/zinc/82/33/00/712823300.db2.gz PUIRTCBCZZLPMO-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO CC[C@@H](C)[C@@H](CNc1cc(NC)nc[nH+]1)OC ZINC000381303259 710618800 /nfs/dbraw/zinc/61/88/00/710618800.db2.gz RGWVOLFLRQZPDN-NXEZZACHSA-N 1 2 238.335 1.413 20 0 BDADLO CO[C@]1(C)C[C@@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000381322068 710621334 /nfs/dbraw/zinc/62/13/34/710621334.db2.gz PCMIWLBKEGOCAJ-YGOYTEALSA-N 1 2 227.304 1.095 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000381365385 710628175 /nfs/dbraw/zinc/62/81/75/710628175.db2.gz GSFHXHCKWRTWGG-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CC12CCC2)C1CC1 ZINC000721212125 712898786 /nfs/dbraw/zinc/89/87/86/712898786.db2.gz BBSNADGSBWDZKF-UWVGGRQHSA-N 1 2 209.289 1.470 20 0 BDADLO CC(C)[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381601016 710659884 /nfs/dbraw/zinc/65/98/84/710659884.db2.gz HDALKOCKDVQMCY-SECBINFHSA-N 1 2 222.288 1.829 20 0 BDADLO CCC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001043031213 710802622 /nfs/dbraw/zinc/80/26/22/710802622.db2.gz KFQRVYSPEBMYJQ-MWLCHTKSSA-N 1 2 248.330 1.454 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2occc2Cl)C1 ZINC001043768741 710813968 /nfs/dbraw/zinc/81/39/68/710813968.db2.gz RCSLMKURQVNRFK-UHFFFAOYSA-N 1 2 242.706 1.709 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001044018600 710816157 /nfs/dbraw/zinc/81/61/57/710816157.db2.gz LTCKRENAXKZGAR-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)F)C[N@@H+]1CCF ZINC001071310955 710854831 /nfs/dbraw/zinc/85/48/31/710854831.db2.gz XJMDVCUVQSMQDT-VHSXEESVSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)C(C)(C)F)C[N@H+]1CCF ZINC001071310955 710854833 /nfs/dbraw/zinc/85/48/33/710854833.db2.gz XJMDVCUVQSMQDT-VHSXEESVSA-N 1 2 248.317 1.673 20 0 BDADLO c1cc(OCCO[C@H]2CCOC2)cc[nH+]1 ZINC000902732949 710887125 /nfs/dbraw/zinc/88/71/25/710887125.db2.gz FXZPZQNMJNVNPW-NSHDSACASA-N 1 2 209.245 1.266 20 0 BDADLO CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC001067921264 710989185 /nfs/dbraw/zinc/98/91/85/710989185.db2.gz VUSMICUYVONYTR-BXKDBHETSA-N 1 2 248.330 1.136 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000385223758 711008166 /nfs/dbraw/zinc/00/81/66/711008166.db2.gz CTVIKTZZTATSCJ-UHFFFAOYSA-N 1 2 247.258 1.013 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000380743509 712902709 /nfs/dbraw/zinc/90/27/09/712902709.db2.gz UZICJCKYMCRLKF-BDAKNGLRSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@@H]2C)[nH+]cn1 ZINC000380743509 712902710 /nfs/dbraw/zinc/90/27/10/712902710.db2.gz UZICJCKYMCRLKF-BDAKNGLRSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C(C)(C)C)o2)C[C@@H]1O ZINC000387958511 711050689 /nfs/dbraw/zinc/05/06/89/711050689.db2.gz YEGVQDSWMICLGF-IUCAKERBSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C(C)(C)C)o2)C[C@@H]1O ZINC000387958511 711050693 /nfs/dbraw/zinc/05/06/93/711050693.db2.gz YEGVQDSWMICLGF-IUCAKERBSA-N 1 2 239.319 1.180 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000389333745 711075367 /nfs/dbraw/zinc/07/53/67/711075367.db2.gz SZMXMLBVAKLILZ-NSHDSACASA-N 1 2 243.314 1.377 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(F)F)[C@H]1OC ZINC000389929919 711098996 /nfs/dbraw/zinc/09/89/96/711098996.db2.gz ZEEGJWSAPFCIKQ-BZNPZCIMSA-N 1 2 223.263 1.422 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccncc2C)[nH]1 ZINC000392358826 711144423 /nfs/dbraw/zinc/14/44/23/711144423.db2.gz VWCQXDOJAYBDFZ-SECBINFHSA-N 1 2 231.303 1.667 20 0 BDADLO CCc1nnc(C[NH2+]C/C=C/Cl)s1 ZINC000391923185 711141598 /nfs/dbraw/zinc/14/15/98/711141598.db2.gz FCQMUMIHLMDMIG-ONEGZZNKSA-N 1 2 217.725 1.943 20 0 BDADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000399689503 711434196 /nfs/dbraw/zinc/43/41/96/711434196.db2.gz VCYYLYSRZVFXFE-WPRPVWTQSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC000399689503 711434197 /nfs/dbraw/zinc/43/41/97/711434197.db2.gz VCYYLYSRZVFXFE-WPRPVWTQSA-N 1 2 227.333 1.273 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cnsn3)C[C@@H]2C1 ZINC000399956988 711437562 /nfs/dbraw/zinc/43/75/62/711437562.db2.gz YCHIYHTURYDEKA-WCABBAIRSA-N 1 2 239.344 1.131 20 0 BDADLO OCC[N@H+](Cc1cnsn1)C1CCCCC1 ZINC000399944965 711437813 /nfs/dbraw/zinc/43/78/13/711437813.db2.gz TXSUFFHOSAEIHQ-UHFFFAOYSA-N 1 2 241.360 1.665 20 0 BDADLO OCC[N@@H+](Cc1cnsn1)C1CCCCC1 ZINC000399944965 711437816 /nfs/dbraw/zinc/43/78/16/711437816.db2.gz TXSUFFHOSAEIHQ-UHFFFAOYSA-N 1 2 241.360 1.665 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@@H]2C1 ZINC000399956988 711437565 /nfs/dbraw/zinc/43/75/65/711437565.db2.gz YCHIYHTURYDEKA-WCABBAIRSA-N 1 2 239.344 1.131 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C)on2)C1 ZINC001046087599 710845075 /nfs/dbraw/zinc/84/50/75/710845075.db2.gz UJCRVKLBDPIIDD-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C)on2)C1 ZINC001046087599 710845081 /nfs/dbraw/zinc/84/50/81/710845081.db2.gz UJCRVKLBDPIIDD-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001068994000 711031210 /nfs/dbraw/zinc/03/12/10/711031210.db2.gz YOARFCMLIJARIS-GZMMTYOYSA-N 1 2 234.303 1.206 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2scnc2C)[nH]1 ZINC000392426236 711147329 /nfs/dbraw/zinc/14/73/29/711147329.db2.gz VXARGFORPBCRAL-SSDOTTSWSA-N 1 2 237.332 1.729 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cnn(C)c1Cl ZINC000382274289 711592921 /nfs/dbraw/zinc/59/29/21/711592921.db2.gz HTDIAUMBSJSZDJ-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC000724753740 711610579 /nfs/dbraw/zinc/61/05/79/711610579.db2.gz YGNQVDOVBLPAFC-HRDYMLBCSA-N 1 2 234.290 1.664 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(C)C ZINC000148475786 711663716 /nfs/dbraw/zinc/66/37/16/711663716.db2.gz QELTYNLTAFPXSX-DCAQKATOSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000924031154 711710496 /nfs/dbraw/zinc/71/04/96/711710496.db2.gz ODVYXRGFABFPNF-NOOOWODRSA-N 1 2 233.315 1.291 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000335139748 711720945 /nfs/dbraw/zinc/72/09/45/711720945.db2.gz ZWIFPYYVFMTFTD-GFCCVEGCSA-N 1 2 230.315 1.915 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931462321 711722872 /nfs/dbraw/zinc/72/28/72/711722872.db2.gz NREBWAFVPRUWIJ-BDAKNGLRSA-N 1 2 246.318 1.219 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931462321 711722874 /nfs/dbraw/zinc/72/28/74/711722874.db2.gz NREBWAFVPRUWIJ-BDAKNGLRSA-N 1 2 246.318 1.219 20 0 BDADLO Cc1nc(C[N@@H+]2CCCCC[C@H]2CCO)no1 ZINC000342070466 711793365 /nfs/dbraw/zinc/79/33/65/711793365.db2.gz SFAUQTOTURJUKF-NSHDSACASA-N 1 2 239.319 1.505 20 0 BDADLO Cc1nc(C[N@H+]2CCCCC[C@H]2CCO)no1 ZINC000342070466 711793366 /nfs/dbraw/zinc/79/33/66/711793366.db2.gz SFAUQTOTURJUKF-NSHDSACASA-N 1 2 239.319 1.505 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccoc2C)no1 ZINC000160396499 711807754 /nfs/dbraw/zinc/80/77/54/711807754.db2.gz OWZATBFLMWFPMW-QMMMGPOBSA-N 1 2 223.232 1.284 20 0 BDADLO C[C@H](O)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494519 711935436 /nfs/dbraw/zinc/93/54/36/711935436.db2.gz ONZIOYVFRDCMCP-IUCAKERBSA-N 1 2 217.309 1.077 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccoc2C)[nH]1 ZINC000320956640 711973278 /nfs/dbraw/zinc/97/32/78/711973278.db2.gz DWXCHUKPSYJSSW-ZETCQYMHSA-N 1 2 220.276 1.865 20 0 BDADLO CCC(F)(F)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000700162571 711987350 /nfs/dbraw/zinc/98/73/50/711987350.db2.gz BKORYJKEMXIHRJ-UHFFFAOYSA-N 1 2 241.303 1.199 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C(F)F ZINC000700998236 712010773 /nfs/dbraw/zinc/01/07/73/712010773.db2.gz NYOFQKKJWFNYPT-NBEYISGCSA-N 1 2 205.248 1.797 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@H](OCC)C1 ZINC000701834835 712030574 /nfs/dbraw/zinc/03/05/74/712030574.db2.gz UUGXSVLBHXNESS-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@H](OCC)C1 ZINC000701834835 712030576 /nfs/dbraw/zinc/03/05/76/712030576.db2.gz UUGXSVLBHXNESS-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+]Cc1nccs1 ZINC000710907691 712262375 /nfs/dbraw/zinc/26/23/75/712262375.db2.gz AAAKBMIFLLZRSV-MRVPVSSYSA-N 1 2 228.317 1.384 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+][C@H](C)c1cscn1 ZINC000710968058 712270525 /nfs/dbraw/zinc/27/05/25/712270525.db2.gz CAYFMCLOSAPMTR-SCZZXKLOSA-N 1 2 242.344 1.945 20 0 BDADLO Cc1c(C[NH2+]Cc2nccn2C2CC2)cnn1C ZINC000711732907 712320995 /nfs/dbraw/zinc/32/09/95/712320995.db2.gz PNLFYHSYQPUHNE-UHFFFAOYSA-N 1 2 245.330 1.550 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001064709539 712344774 /nfs/dbraw/zinc/34/47/74/712344774.db2.gz YSKSBVLUYAUUHZ-BXKDBHETSA-N 1 2 248.330 1.596 20 0 BDADLO c1ncc(CNc2cc3c(c[nH+]2)CCC3)[nH]1 ZINC000378869699 712365703 /nfs/dbraw/zinc/36/57/03/712365703.db2.gz KNGCHXFIROEOMZ-UHFFFAOYSA-N 1 2 214.272 1.906 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(F)cc2C)C1 ZINC000379103118 712369391 /nfs/dbraw/zinc/36/93/91/712369391.db2.gz PHYYVMGCYAMRSF-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000379595691 712389998 /nfs/dbraw/zinc/38/99/98/712389998.db2.gz DUEQPPWHGHYAJH-GRQBKTHUSA-N 1 2 207.220 1.181 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712442817 712429997 /nfs/dbraw/zinc/42/99/97/712429997.db2.gz LBYRGIPDBBRGOI-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712442817 712429998 /nfs/dbraw/zinc/42/99/98/712429998.db2.gz LBYRGIPDBBRGOI-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795344 712449448 /nfs/dbraw/zinc/44/94/48/712449448.db2.gz JEYHUYCNKTUCES-DTWKUNHWSA-N 1 2 241.253 1.268 20 0 BDADLO C[C@H](CO)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712795344 712449449 /nfs/dbraw/zinc/44/94/49/712449449.db2.gz JEYHUYCNKTUCES-DTWKUNHWSA-N 1 2 241.253 1.268 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](OC)C23CCC3)nc[nH+]1 ZINC000713111145 712452916 /nfs/dbraw/zinc/45/29/16/712452916.db2.gz BYSREJWZNNPJNE-ZJUUUORDSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](OC)C23CCC3)[nH+]cn1 ZINC000713111145 712452918 /nfs/dbraw/zinc/45/29/18/712452918.db2.gz BYSREJWZNNPJNE-ZJUUUORDSA-N 1 2 248.330 1.888 20 0 BDADLO Cn1c[nH+]c(CCNc2nccc3nc[nH]c32)c1 ZINC000714218702 712478874 /nfs/dbraw/zinc/47/88/74/712478874.db2.gz YJAVJWNAOIOHJI-UHFFFAOYSA-N 1 2 242.286 1.346 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)c2cnn(C)c2)nn1 ZINC000714506575 712493053 /nfs/dbraw/zinc/49/30/53/712493053.db2.gz HBNLJYLXOIFVCF-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CCn1cc(CNc2ccc(N(C)C)[nH+]c2)nn1 ZINC000714878364 712502384 /nfs/dbraw/zinc/50/23/84/712502384.db2.gz FMWXEJGNXFKQAD-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535253 712526525 /nfs/dbraw/zinc/52/65/25/712526525.db2.gz DEYQSOXOEAWGJQ-BIIVOSGPSA-N 1 2 219.231 1.135 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535253 712526527 /nfs/dbraw/zinc/52/65/27/712526527.db2.gz DEYQSOXOEAWGJQ-BIIVOSGPSA-N 1 2 219.231 1.135 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccns1 ZINC000715932080 712543859 /nfs/dbraw/zinc/54/38/59/712543859.db2.gz BZCMZDGHQQSOGH-JGVFFNPUSA-N 1 2 237.332 1.683 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)OCCF)C1 ZINC000859080477 712617565 /nfs/dbraw/zinc/61/75/65/712617565.db2.gz LGWPRJFIDHVBGD-VIFPVBQESA-N 1 2 241.266 1.316 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@@H](O)C(F)(F)F ZINC000866463154 712621595 /nfs/dbraw/zinc/62/15/95/712621595.db2.gz KEOZANAUVAYIQL-DSYKOEDSSA-N 1 2 237.225 1.372 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000717231608 712640641 /nfs/dbraw/zinc/64/06/41/712640641.db2.gz YPQYMWKTGJOKGK-AYHFEMFVSA-N 1 2 233.315 1.626 20 0 BDADLO CNc1cc(NC[C@@H]2CC(C)(C)CO2)[nH+]cn1 ZINC000717517847 712660355 /nfs/dbraw/zinc/66/03/55/712660355.db2.gz MVALNSFFNXNGNV-VIFPVBQESA-N 1 2 236.319 1.745 20 0 BDADLO CCCNc1cc(N2C[C@@H](O)C[C@H]2C)nc[nH+]1 ZINC000384866545 712703726 /nfs/dbraw/zinc/70/37/26/712703726.db2.gz PKEDLTQHPCMLLO-ZJUUUORDSA-N 1 2 236.319 1.258 20 0 BDADLO CCCNc1cc(N2C[C@@H](O)C[C@H]2C)[nH+]cn1 ZINC000384866545 712703727 /nfs/dbraw/zinc/70/37/27/712703727.db2.gz PKEDLTQHPCMLLO-ZJUUUORDSA-N 1 2 236.319 1.258 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC000931142905 712713828 /nfs/dbraw/zinc/71/38/28/712713828.db2.gz UDMJUSKWXJOETD-USZNOCQGSA-N 1 2 232.331 1.988 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC000931142905 712713830 /nfs/dbraw/zinc/71/38/30/712713830.db2.gz UDMJUSKWXJOETD-USZNOCQGSA-N 1 2 232.331 1.988 20 0 BDADLO c1ccc(N2CC[C@H](C3OCCO3)C2)[nH+]c1 ZINC000719013208 712793736 /nfs/dbraw/zinc/79/37/36/712793736.db2.gz WOTCKBTXQCGYLD-JTQLQIEISA-N 1 2 220.272 1.281 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@H](C2OCCO2)C1 ZINC000719101492 712796749 /nfs/dbraw/zinc/79/67/49/712796749.db2.gz WLDNZRJACLWWPM-VIFPVBQESA-N 1 2 238.262 1.420 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000719639738 712814676 /nfs/dbraw/zinc/81/46/76/712814676.db2.gz QKCKUWYHYAKETH-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000719639738 712814678 /nfs/dbraw/zinc/81/46/78/712814678.db2.gz QKCKUWYHYAKETH-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000719636097 712814735 /nfs/dbraw/zinc/81/47/35/712814735.db2.gz GFTBLUXGDYRQSM-WDEREUQCSA-N 1 2 237.351 1.041 20 0 BDADLO C[C@@H]1C[NH+](CCc2ccns2)C[C@@H](C)C1=O ZINC000719812800 712823336 /nfs/dbraw/zinc/82/33/36/712823336.db2.gz FVXVZPLPMLZAQB-NXEZZACHSA-N 1 2 238.356 1.843 20 0 BDADLO COC(C)(C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000720147687 712827845 /nfs/dbraw/zinc/82/78/45/712827845.db2.gz IHXMUMVPKHMWLA-QMMMGPOBSA-N 1 2 249.318 1.589 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nocc1C ZINC000720361792 712835230 /nfs/dbraw/zinc/83/52/30/712835230.db2.gz DEPYGCJWRNDQEY-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nocc1C ZINC000720361792 712835231 /nfs/dbraw/zinc/83/52/31/712835231.db2.gz DEPYGCJWRNDQEY-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO Cc1conc1C[N@H+](CCO)Cc1ccccc1 ZINC000720369816 712836299 /nfs/dbraw/zinc/83/62/99/712836299.db2.gz OGBTULMZMFCDMV-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1conc1C[N@@H+](CCO)Cc1ccccc1 ZINC000720369816 712836300 /nfs/dbraw/zinc/83/63/00/712836300.db2.gz OGBTULMZMFCDMV-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO CC(=O)C1CC[NH+](Cc2ccon2)CC1 ZINC000720375887 712836720 /nfs/dbraw/zinc/83/67/20/712836720.db2.gz WQQMNVYSTIZCHV-UHFFFAOYSA-N 1 2 208.261 1.476 20 0 BDADLO Cc1conc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000720408609 712840665 /nfs/dbraw/zinc/84/06/65/712840665.db2.gz GFPJAOCSCSQNIH-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)no1 ZINC000720420634 712841286 /nfs/dbraw/zinc/84/12/86/712841286.db2.gz VUWAFPGWHXPSPP-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001037986121 712896713 /nfs/dbraw/zinc/89/67/13/712896713.db2.gz KURDEGYNUBTBRX-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001037986121 712896715 /nfs/dbraw/zinc/89/67/15/712896715.db2.gz KURDEGYNUBTBRX-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(N[C@H]2CC23CCC3)nc(N)[nH+]1 ZINC000721188967 712896855 /nfs/dbraw/zinc/89/68/55/712896855.db2.gz PGEHYPWGWCHYHI-ZETCQYMHSA-N 1 2 205.265 1.117 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CC23CCC3)[nH+]1 ZINC000721188967 712896856 /nfs/dbraw/zinc/89/68/56/712896856.db2.gz PGEHYPWGWCHYHI-ZETCQYMHSA-N 1 2 205.265 1.117 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@@H+]1CCC1CC1 ZINC001208679784 957118126 /nfs/dbraw/zinc/11/81/26/957118126.db2.gz VGJWMOCBPSSHJC-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@H+]1CCC1CC1 ZINC001208679784 957118140 /nfs/dbraw/zinc/11/81/40/957118140.db2.gz VGJWMOCBPSSHJC-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000093529347 957486404 /nfs/dbraw/zinc/48/64/04/957486404.db2.gz VEIKEUUOQKKQMY-NSHDSACASA-N 1 2 211.261 1.127 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000093529347 957486440 /nfs/dbraw/zinc/48/64/40/957486440.db2.gz VEIKEUUOQKKQMY-NSHDSACASA-N 1 2 211.261 1.127 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@H]2C2CCCC2)n[nH]1 ZINC001350358867 959111096 /nfs/dbraw/zinc/11/10/96/959111096.db2.gz NGYUSXBMNHHXJO-LLVKDONJSA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@H]2C2CCCC2)n[nH]1 ZINC001350358867 959111106 /nfs/dbraw/zinc/11/11/06/959111106.db2.gz NGYUSXBMNHHXJO-LLVKDONJSA-N 1 2 220.320 1.959 20 0 BDADLO CCCn1cc(NC(=O)C[C@@H]([NH3+])C(F)F)cn1 ZINC000724747449 959367441 /nfs/dbraw/zinc/36/74/41/959367441.db2.gz WOUQCYZAUQQHCZ-MRVPVSSYSA-N 1 2 246.261 1.214 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)C(F)F ZINC000694817773 960004678 /nfs/dbraw/zinc/00/46/78/960004678.db2.gz IPMMLZGJEWREGM-YUMQZZPRSA-N 1 2 241.303 1.197 20 0 BDADLO CC(C)SCC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001267737271 960255440 /nfs/dbraw/zinc/25/54/40/960255440.db2.gz CYWUQAYKDWLXCL-SNVBAGLBSA-N 1 2 248.367 1.288 20 0 BDADLO CC(C)SCC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001267737271 960255444 /nfs/dbraw/zinc/25/54/44/960255444.db2.gz CYWUQAYKDWLXCL-SNVBAGLBSA-N 1 2 248.367 1.288 20 0 BDADLO CCCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001267748612 960288181 /nfs/dbraw/zinc/28/81/81/960288181.db2.gz AYROLHQFBVCBOJ-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO CCCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001267748612 960288188 /nfs/dbraw/zinc/28/81/88/960288188.db2.gz AYROLHQFBVCBOJ-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO CO[C@H](C[NH2+]Cc1ccn(C)n1)C(F)(F)F ZINC000309962291 960318557 /nfs/dbraw/zinc/31/85/57/960318557.db2.gz LVLCSFBJTQLVJU-MRVPVSSYSA-N 1 2 237.225 1.087 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@@H](O)C2)n[nH]1 ZINC001203069920 960612846 /nfs/dbraw/zinc/61/28/46/960612846.db2.gz FJHZONIQVCNLBC-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@@H](O)C2)n[nH]1 ZINC001203069920 960612853 /nfs/dbraw/zinc/61/28/53/960612853.db2.gz FJHZONIQVCNLBC-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cccc(O)c1 ZINC000398296912 960634379 /nfs/dbraw/zinc/63/43/79/960634379.db2.gz JXTBLQGPITUTSZ-MRVPVSSYSA-N 1 2 218.260 1.361 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140887894 960671204 /nfs/dbraw/zinc/67/12/04/960671204.db2.gz HTOLNTYHEUIOQF-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140887894 960671210 /nfs/dbraw/zinc/67/12/10/960671210.db2.gz HTOLNTYHEUIOQF-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO CCCNc1cc(N2CC[C@@H](F)C2)nc[nH+]1 ZINC000689822820 960913736 /nfs/dbraw/zinc/91/37/36/960913736.db2.gz JPLCSTPAXQNDKQ-SECBINFHSA-N 1 2 224.283 1.847 20 0 BDADLO CCCNc1cc(N2CC[C@@H](F)C2)[nH+]cn1 ZINC000689822820 960913773 /nfs/dbraw/zinc/91/37/73/960913773.db2.gz JPLCSTPAXQNDKQ-SECBINFHSA-N 1 2 224.283 1.847 20 0 BDADLO C[C@@H](CCCCO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001141261363 961027557 /nfs/dbraw/zinc/02/75/57/961027557.db2.gz ASAUHYFCDDJASM-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO CCCOCCNc1c[nH+]ccc1OC ZINC001167873483 961392682 /nfs/dbraw/zinc/39/26/82/961392682.db2.gz WUIHUHTVLZXZBE-UHFFFAOYSA-N 1 2 210.277 1.929 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)C1(C)CCC1)C2 ZINC001270597615 963024301 /nfs/dbraw/zinc/02/43/01/963024301.db2.gz ZEKDYWQHRCEDAE-UHFFFAOYSA-N 1 2 208.305 1.093 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)C1(C)CCC1)C2 ZINC001270597615 963024319 /nfs/dbraw/zinc/02/43/19/963024319.db2.gz ZEKDYWQHRCEDAE-UHFFFAOYSA-N 1 2 208.305 1.093 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001204384582 963458593 /nfs/dbraw/zinc/45/85/93/963458593.db2.gz ZOJVJVRUCLLBMB-QWRGUYRKSA-N 1 2 229.274 1.692 20 0 BDADLO CCc1nc(N(C)CCC(=O)OC)cc[nH+]1 ZINC001156815864 963469938 /nfs/dbraw/zinc/46/99/38/963469938.db2.gz GKAZLMHXPROHDX-UHFFFAOYSA-N 1 2 223.276 1.038 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCO[C@@H](C)C1 ZINC001168112826 963753816 /nfs/dbraw/zinc/75/38/16/963753816.db2.gz DMLJRBUBWVCPNX-NAKRPEOUSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCO[C@@H](C)C1 ZINC001168112826 963753820 /nfs/dbraw/zinc/75/38/20/963753820.db2.gz DMLJRBUBWVCPNX-NAKRPEOUSA-N 1 2 245.294 1.139 20 0 BDADLO CCCNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001168130970 963814753 /nfs/dbraw/zinc/81/47/53/963814753.db2.gz VWJOBFUPPSCDNX-UHFFFAOYSA-N 1 2 219.288 1.420 20 0 BDADLO CCC(=O)NC/C=C\C[NH2+]Cc1ncc(C)o1 ZINC001482972117 964264247 /nfs/dbraw/zinc/26/42/47/964264247.db2.gz MAEDKTMNWIQLED-PLNGDYQASA-N 1 2 237.303 1.155 20 0 BDADLO Cc1cc(NC2C[NH+](C(C)C)C2)c(=O)n(C)c1 ZINC001168317720 964437529 /nfs/dbraw/zinc/43/75/29/964437529.db2.gz UOFROLBTORNAQW-UHFFFAOYSA-N 1 2 235.331 1.198 20 0 BDADLO c1nc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cs1 ZINC001137596785 964897486 /nfs/dbraw/zinc/89/74/86/964897486.db2.gz BSCDNZKNPZDGNW-WCBMZHEXSA-N 1 2 210.302 1.364 20 0 BDADLO c1nc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cs1 ZINC001137596785 964897494 /nfs/dbraw/zinc/89/74/94/964897494.db2.gz BSCDNZKNPZDGNW-WCBMZHEXSA-N 1 2 210.302 1.364 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC(C)(C)C)C[N@@H+]1C ZINC001224724876 964910116 /nfs/dbraw/zinc/91/01/16/964910116.db2.gz LQNMGXKATARIKK-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC(C)(C)C)C[N@H+]1C ZINC001224724876 964910126 /nfs/dbraw/zinc/91/01/26/964910126.db2.gz LQNMGXKATARIKK-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO F[C@H]1C[N@H+](Cc2ccns2)C[C@@H]2C[C@@H]21 ZINC001232188960 965311998 /nfs/dbraw/zinc/31/19/98/965311998.db2.gz QSQFWNLALTWEKK-HGNGGELXSA-N 1 2 212.293 1.933 20 0 BDADLO F[C@H]1C[N@@H+](Cc2ccns2)C[C@@H]2C[C@@H]21 ZINC001232188960 965312004 /nfs/dbraw/zinc/31/20/04/965312004.db2.gz QSQFWNLALTWEKK-HGNGGELXSA-N 1 2 212.293 1.933 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(Cl)o2)CC[C@@H]1F ZINC001233314459 965489705 /nfs/dbraw/zinc/48/97/05/965489705.db2.gz ZAALMAXZOBMHMO-IUCAKERBSA-N 1 2 233.670 1.838 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(Cl)o2)CC[C@@H]1F ZINC001233314459 965489713 /nfs/dbraw/zinc/48/97/13/965489713.db2.gz ZAALMAXZOBMHMO-IUCAKERBSA-N 1 2 233.670 1.838 20 0 BDADLO CC[NH+]1CC(Oc2cnc(OC)c(Cl)c2)C1 ZINC001234042906 965666682 /nfs/dbraw/zinc/66/66/82/965666682.db2.gz JFOGIZJEFJZDEA-UHFFFAOYSA-N 1 2 242.706 1.827 20 0 BDADLO Cc1ccc(N2CCN(CCF)CC2)[nH+]c1C ZINC001165104248 965959545 /nfs/dbraw/zinc/95/95/45/965959545.db2.gz OKYNJAYWRDLZLW-UHFFFAOYSA-N 1 2 237.322 1.790 20 0 BDADLO CC(C)(C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001142770189 966337880 /nfs/dbraw/zinc/33/78/80/966337880.db2.gz QRRCXFWOOPTNJQ-UHFFFAOYSA-N 1 2 218.300 1.977 20 0 BDADLO CCc1nc(N2CC3(CCO3)C2)cc(C)[nH+]1 ZINC001166943117 966464473 /nfs/dbraw/zinc/46/44/73/966464473.db2.gz VSTMCUIOSNKVEZ-UHFFFAOYSA-N 1 2 219.288 1.327 20 0 BDADLO C[N@H+](Cc1ccco1)C1CCS(=O)(=O)CC1 ZINC001203286044 966596412 /nfs/dbraw/zinc/59/64/12/966596412.db2.gz ZMVMXQYBIIXNKL-UHFFFAOYSA-N 1 2 243.328 1.289 20 0 BDADLO C[N@@H+](Cc1ccco1)C1CCS(=O)(=O)CC1 ZINC001203286044 966596421 /nfs/dbraw/zinc/59/64/21/966596421.db2.gz ZMVMXQYBIIXNKL-UHFFFAOYSA-N 1 2 243.328 1.289 20 0 BDADLO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1ccco1 ZINC001203285633 966598653 /nfs/dbraw/zinc/59/86/53/966598653.db2.gz SCBLUVWZLSFDPJ-AAEUAGOBSA-N 1 2 220.316 1.806 20 0 BDADLO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1ccco1 ZINC001203285633 966598663 /nfs/dbraw/zinc/59/86/63/966598663.db2.gz SCBLUVWZLSFDPJ-AAEUAGOBSA-N 1 2 220.316 1.806 20 0 BDADLO C[N@@H+](Cc1ccc[nH]1)Cc1ccncn1 ZINC001204010739 966848053 /nfs/dbraw/zinc/84/80/53/966848053.db2.gz OCERZZSKZXGGFE-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001203983908 966833111 /nfs/dbraw/zinc/83/31/11/966833111.db2.gz RPEGQAXNVBKDNL-NSHDSACASA-N 1 2 207.277 1.165 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1F ZINC001204072540 966878683 /nfs/dbraw/zinc/87/86/83/966878683.db2.gz LGWRZPKKRRWHER-WDEREUQCSA-N 1 2 210.252 1.250 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1F ZINC001204072540 966878686 /nfs/dbraw/zinc/87/86/86/966878686.db2.gz LGWRZPKKRRWHER-WDEREUQCSA-N 1 2 210.252 1.250 20 0 BDADLO COc1cc(C[N@H+](C)CC(C)=O)ccc1F ZINC001204557626 967048007 /nfs/dbraw/zinc/04/80/07/967048007.db2.gz WDFOJGSZGXAUNP-UHFFFAOYSA-N 1 2 225.263 1.855 20 0 BDADLO COc1cc(C[N@@H+](C)CC(C)=O)ccc1F ZINC001204557626 967048022 /nfs/dbraw/zinc/04/80/22/967048022.db2.gz WDFOJGSZGXAUNP-UHFFFAOYSA-N 1 2 225.263 1.855 20 0 BDADLO CCCCOC1CN(Cc2[nH]c[nH+]c2C)C1 ZINC001204589417 967081673 /nfs/dbraw/zinc/08/16/73/967081673.db2.gz UQJOOFBSYXJEGI-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(OC(C)C)C1 ZINC001204592817 967090028 /nfs/dbraw/zinc/09/00/28/967090028.db2.gz AWQCAYBQYAMUNY-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO CN1CC[NH+](CCCc2ncccc2F)CC1 ZINC001250229635 967545739 /nfs/dbraw/zinc/54/57/39/967545739.db2.gz YKIDOAJBTAWMKO-UHFFFAOYSA-N 1 2 237.322 1.401 20 0 BDADLO CNc1cc(Cc2cnccn2)cc[nH+]1 ZINC001250375579 967789370 /nfs/dbraw/zinc/78/93/70/967789370.db2.gz LZAIBDXDBOHNGC-UHFFFAOYSA-N 1 2 200.245 1.504 20 0 BDADLO Cc1cc(CC(=O)NC2CC2)cc(C)[nH+]1 ZINC001250381399 967803345 /nfs/dbraw/zinc/80/33/45/967803345.db2.gz MCQWFXGYCRUHCO-UHFFFAOYSA-N 1 2 204.273 1.520 20 0 BDADLO S=C(NCCn1cc[nH+]c1)NC1CCCC1 ZINC000164221871 968512845 /nfs/dbraw/zinc/51/28/45/968512845.db2.gz DCMDXLCFYFIRBU-UHFFFAOYSA-N 1 2 238.360 1.290 20 0 BDADLO C[C@@H]1CC[N@@H+]1Cc1ncc2ccccn21 ZINC001207049117 968580700 /nfs/dbraw/zinc/58/07/00/968580700.db2.gz OSNFOSDENJWJIQ-SNVBAGLBSA-N 1 2 201.273 1.929 20 0 BDADLO C[C@@H]1CC[N@H+]1Cc1ncc2ccccn21 ZINC001207049117 968580726 /nfs/dbraw/zinc/58/07/26/968580726.db2.gz OSNFOSDENJWJIQ-SNVBAGLBSA-N 1 2 201.273 1.929 20 0 BDADLO CCc1nccc(C[NH+]2CC(C(F)F)C2)n1 ZINC001207090976 968621494 /nfs/dbraw/zinc/62/14/94/968621494.db2.gz NLAURFBGPKPGAU-UHFFFAOYSA-N 1 2 227.258 1.736 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001207133514 968647192 /nfs/dbraw/zinc/64/71/92/968647192.db2.gz QHBXAGXTCQSNBM-MNOVXSKESA-N 1 2 242.294 1.444 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001207133514 968647198 /nfs/dbraw/zinc/64/71/98/968647198.db2.gz QHBXAGXTCQSNBM-MNOVXSKESA-N 1 2 242.294 1.444 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)CC(OC)OC ZINC001207257339 968696969 /nfs/dbraw/zinc/69/69/69/968696969.db2.gz YRCDXMLNDWSSKK-ONGXEEELSA-N 1 2 247.335 1.125 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)CC(OC)OC ZINC001207257339 968696974 /nfs/dbraw/zinc/69/69/74/968696974.db2.gz YRCDXMLNDWSSKK-ONGXEEELSA-N 1 2 247.335 1.125 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1C/C=C/Cl)C(=O)C1CC1 ZINC001085449557 968720655 /nfs/dbraw/zinc/72/06/55/968720655.db2.gz XTVLQGZCOJGALL-GSQGTZRGSA-N 1 2 242.750 1.682 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1C/C=C/Cl)C(=O)C1CC1 ZINC001085449557 968720668 /nfs/dbraw/zinc/72/06/68/968720668.db2.gz XTVLQGZCOJGALL-GSQGTZRGSA-N 1 2 242.750 1.682 20 0 BDADLO CCCCOC[C@@H](O)CNc1[nH+]cccc1O ZINC001252501366 968756376 /nfs/dbraw/zinc/75/63/76/968756376.db2.gz LWVUFHHYGLOKJW-JTQLQIEISA-N 1 2 240.303 1.377 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001207413390 968756653 /nfs/dbraw/zinc/75/66/53/968756653.db2.gz QRHYSHPBXGTRAQ-GHMZBOCLSA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001207413390 968756663 /nfs/dbraw/zinc/75/66/63/968756663.db2.gz QRHYSHPBXGTRAQ-GHMZBOCLSA-N 1 2 227.304 1.050 20 0 BDADLO CC[N@H+](C[C@H]1COC(C)(C)O1)[C@@H](C)C(=O)OC ZINC001207930874 968935592 /nfs/dbraw/zinc/93/55/92/968935592.db2.gz CCZHRFWDTDMUKL-UWVGGRQHSA-N 1 2 245.319 1.021 20 0 BDADLO CC[N@@H+](C[C@H]1COC(C)(C)O1)[C@@H](C)C(=O)OC ZINC001207930874 968935602 /nfs/dbraw/zinc/93/56/02/968935602.db2.gz CCZHRFWDTDMUKL-UWVGGRQHSA-N 1 2 245.319 1.021 20 0 BDADLO COCC[NH+]1CCN(CC[C@H](C)SC)CC1 ZINC001208140688 969058024 /nfs/dbraw/zinc/05/80/24/969058024.db2.gz FCGQCNFJFWZJMS-LBPRGKRZSA-N 1 2 246.420 1.392 20 0 BDADLO CCCCC[C@H](O)C[NH2+]Cc1ncon1 ZINC001253520985 969197559 /nfs/dbraw/zinc/19/75/59/969197559.db2.gz YIWNUWDSBCZGKT-VIFPVBQESA-N 1 2 213.281 1.100 20 0 BDADLO CCCCC[C@@H](O)C[NH+]1CC(OC(C)=O)C1 ZINC001253532325 969203752 /nfs/dbraw/zinc/20/37/52/969203752.db2.gz IYMPTLODDGMYOW-LLVKDONJSA-N 1 2 229.320 1.175 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253756314 969374355 /nfs/dbraw/zinc/37/43/55/969374355.db2.gz DAOXPNAJXIOVDO-GXSJLCMTSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001253756314 969374360 /nfs/dbraw/zinc/37/43/60/969374360.db2.gz DAOXPNAJXIOVDO-GXSJLCMTSA-N 1 2 217.284 1.006 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C)[nH]2)C1 ZINC001209567314 969550696 /nfs/dbraw/zinc/55/06/96/969550696.db2.gz ZRTKABOOGFRZQC-GFCCVEGCSA-N 1 2 240.278 1.410 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C)[nH]2)C1 ZINC001209567314 969550700 /nfs/dbraw/zinc/55/07/00/969550700.db2.gz ZRTKABOOGFRZQC-GFCCVEGCSA-N 1 2 240.278 1.410 20 0 BDADLO Cc1ccncc1NC[C@@H]1COCC[N@H+]1C ZINC001169653729 969799437 /nfs/dbraw/zinc/79/94/37/969799437.db2.gz KEXWKDZCHMROLO-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ccncc1NC[C@@H]1COCC[N@@H+]1C ZINC001169653729 969799442 /nfs/dbraw/zinc/79/94/42/969799442.db2.gz KEXWKDZCHMROLO-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCSC1)C(C)(C)C ZINC001255269045 970020448 /nfs/dbraw/zinc/02/04/48/970020448.db2.gz WDJGCWYUGZPBAS-RKDXNWHRSA-N 1 2 231.361 1.669 20 0 BDADLO FC1(C2CC2)C[NH+]([C@@H]2CCSC2)C1 ZINC001255282584 970035463 /nfs/dbraw/zinc/03/54/63/970035463.db2.gz RIPDGYBQOWWABX-SECBINFHSA-N 1 2 201.310 1.926 20 0 BDADLO CCc1[nH]c(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC001213931728 970398157 /nfs/dbraw/zinc/39/81/57/970398157.db2.gz AKAYMQWGSHDLEV-UHFFFAOYSA-N 1 2 225.292 1.997 20 0 BDADLO CCc1[nH]cc(CNC(=O)OC(C)(C)C)[nH+]1 ZINC001213931728 970398168 /nfs/dbraw/zinc/39/81/68/970398168.db2.gz AKAYMQWGSHDLEV-UHFFFAOYSA-N 1 2 225.292 1.997 20 0 BDADLO C[NH+](C)Cc1nnc(C2CCOCC2)o1 ZINC001255638521 970412201 /nfs/dbraw/zinc/41/22/01/970412201.db2.gz UOKYRHGCHMDBLO-UHFFFAOYSA-N 1 2 211.265 1.025 20 0 BDADLO CNC(=O)C[N@H+](C)[C@H](C)CC(F)(F)F ZINC001255645936 970419992 /nfs/dbraw/zinc/41/99/92/970419992.db2.gz JSPHIFIVJNURRG-ZCFIWIBFSA-N 1 2 212.215 1.005 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@H](C)CC(F)(F)F ZINC001255645936 970420000 /nfs/dbraw/zinc/42/00/00/970420000.db2.gz JSPHIFIVJNURRG-ZCFIWIBFSA-N 1 2 212.215 1.005 20 0 BDADLO CC[C@@H]1C[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205634 970574326 /nfs/dbraw/zinc/57/43/26/970574326.db2.gz ZXIQICGCJYRVBT-OUAUKWLOSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@@H]1C[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001170205634 970574331 /nfs/dbraw/zinc/57/43/31/970574331.db2.gz ZXIQICGCJYRVBT-OUAUKWLOSA-N 1 2 249.301 1.646 20 0 BDADLO FC1(F)C[C@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173123051 975031691 /nfs/dbraw/zinc/03/16/91/975031691.db2.gz YRDWNOSOESWKBW-HZGVNTEJSA-N 1 2 230.283 1.998 20 0 BDADLO CCC(CC)([NH2+]CCOC1CC1)C(=O)OC ZINC001332884865 975308166 /nfs/dbraw/zinc/30/81/66/975308166.db2.gz JQEIZODDQYSEST-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CC(C)c1ocnc1C[N@@H+]1CC[C@H]1CO ZINC001335245505 976896809 /nfs/dbraw/zinc/89/68/09/976896809.db2.gz XUGGZBMZHHPLIT-VIFPVBQESA-N 1 2 210.277 1.365 20 0 BDADLO CC(C)c1ocnc1C[N@H+]1CC[C@H]1CO ZINC001335245505 976896814 /nfs/dbraw/zinc/89/68/14/976896814.db2.gz XUGGZBMZHHPLIT-VIFPVBQESA-N 1 2 210.277 1.365 20 0 BDADLO CCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001230561447 977254913 /nfs/dbraw/zinc/25/49/13/977254913.db2.gz CXFWSYUPRXIENQ-RWCYGVJQSA-N 1 2 230.739 1.682 20 0 BDADLO CCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001230561447 977254921 /nfs/dbraw/zinc/25/49/21/977254921.db2.gz CXFWSYUPRXIENQ-RWCYGVJQSA-N 1 2 230.739 1.682 20 0 BDADLO Cc1ccc(CCC(=O)NC2C[NH+](C)C2)s1 ZINC001175622443 977601942 /nfs/dbraw/zinc/60/19/42/977601942.db2.gz XLTOLFIFZAXHFX-UHFFFAOYSA-N 1 2 238.356 1.419 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(C)nc(C)c1 ZINC001231994875 977828492 /nfs/dbraw/zinc/82/84/92/977828492.db2.gz DECMFDVKBHWPIZ-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(C)nc(C)c1 ZINC001231994875 977828498 /nfs/dbraw/zinc/82/84/98/977828498.db2.gz DECMFDVKBHWPIZ-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO Cc1scnc1C[N@@H+]1CC[C@]12CCOC2 ZINC001232205168 977931623 /nfs/dbraw/zinc/93/16/23/977931623.db2.gz JSAPCHGVHRUKAD-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1scnc1C[N@H+]1CC[C@]12CCOC2 ZINC001232205168 977931627 /nfs/dbraw/zinc/93/16/27/977931627.db2.gz JSAPCHGVHRUKAD-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO O=C([O-])CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001595061779 977940551 /nfs/dbraw/zinc/94/05/51/977940551.db2.gz VWWPPSWTHHPOKQ-WDEREUQCSA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001595061779 977940559 /nfs/dbraw/zinc/94/05/59/977940559.db2.gz VWWPPSWTHHPOKQ-WDEREUQCSA-N 1 2 226.320 1.068 20 0 BDADLO CSc1ccc(C[NH+]2CC3(COC3)C2)cn1 ZINC001232323695 978006700 /nfs/dbraw/zinc/00/67/00/978006700.db2.gz AKFGYWSEFOQTIQ-UHFFFAOYSA-N 1 2 236.340 1.636 20 0 BDADLO F[C@H]1CC[N@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232424122 978059994 /nfs/dbraw/zinc/05/99/94/978059994.db2.gz CDYWJQOAAQGXJN-QMMMGPOBSA-N 1 2 209.268 1.442 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232424122 978060010 /nfs/dbraw/zinc/06/00/10/978060010.db2.gz CDYWJQOAAQGXJN-QMMMGPOBSA-N 1 2 209.268 1.442 20 0 BDADLO Fc1ccnc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001232498789 978152053 /nfs/dbraw/zinc/15/20/53/978152053.db2.gz LFFLWRNSXLNHAR-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ccnc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001232498789 978152057 /nfs/dbraw/zinc/15/20/57/978152057.db2.gz LFFLWRNSXLNHAR-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001233193435 978493971 /nfs/dbraw/zinc/49/39/71/978493971.db2.gz ATVBXMOFWJMPOS-MNOVXSKESA-N 1 2 220.272 1.069 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001233193435 978493978 /nfs/dbraw/zinc/49/39/78/978493978.db2.gz ATVBXMOFWJMPOS-MNOVXSKESA-N 1 2 220.272 1.069 20 0 BDADLO Cc1nnc(SCCC[NH+]2CCOCC2)o1 ZINC001337941825 978571142 /nfs/dbraw/zinc/57/11/42/978571142.db2.gz JBTNKLOEFUGIRL-UHFFFAOYSA-N 1 2 243.332 1.192 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnc(C)o1)C2 ZINC001233367386 978579783 /nfs/dbraw/zinc/57/97/83/978579783.db2.gz FCBKBHGSQSHZBZ-JQWIXIFHSA-N 1 2 222.288 1.736 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnc(C)o1)C2 ZINC001233367386 978579791 /nfs/dbraw/zinc/57/97/91/978579791.db2.gz FCBKBHGSQSHZBZ-JQWIXIFHSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc(F)cc(N2CC[C@](F)(CO)C2)[nH+]1 ZINC001337974614 978582490 /nfs/dbraw/zinc/58/24/90/978582490.db2.gz RHABKLPVPBWPST-LLVKDONJSA-N 1 2 228.242 1.440 20 0 BDADLO Cc1cc(F)cc(N(C)C[C@H]2COCCO2)[nH+]1 ZINC001338049822 978600673 /nfs/dbraw/zinc/60/06/73/978600673.db2.gz YEUVRAJXRDTCSO-NSHDSACASA-N 1 2 240.278 1.381 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cncc(Cl)n1 ZINC001233446652 978602743 /nfs/dbraw/zinc/60/27/43/978602743.db2.gz DAALAHGKLDOHJQ-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cncc(Cl)n1 ZINC001233446652 978602747 /nfs/dbraw/zinc/60/27/47/978602747.db2.gz DAALAHGKLDOHJQ-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO C/C=C(\C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233560867 978624605 /nfs/dbraw/zinc/62/46/05/978624605.db2.gz NCPBLIXKLOITMI-LLMHMKPQSA-N 1 2 228.311 1.455 20 0 BDADLO CCC1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001340076106 978965723 /nfs/dbraw/zinc/96/57/23/978965723.db2.gz ZBHMMFDWMNKOCC-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](CO)[C@@H]2C)c1C ZINC001181275852 979029789 /nfs/dbraw/zinc/02/97/89/979029789.db2.gz GLZOQZZLECADTN-WDEREUQCSA-N 1 2 223.320 1.229 20 0 BDADLO [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc([S-])cc1 ZINC001236250102 979467734 /nfs/dbraw/zinc/46/77/34/979467734.db2.gz CIJLOZBUFZBYOV-LLVKDONJSA-N 1 2 222.357 1.898 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)n[nH]1 ZINC001341604214 979488949 /nfs/dbraw/zinc/48/89/49/979488949.db2.gz GITJUSDZIAQDDD-JQWIXIFHSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)n[nH]1 ZINC001341604214 979488951 /nfs/dbraw/zinc/48/89/51/979488951.db2.gz GITJUSDZIAQDDD-JQWIXIFHSA-N 1 2 223.320 1.311 20 0 BDADLO C[C@@H]1C[C@H](c2nnc(C[NH+](C)C)o2)CO1 ZINC001341744463 979542524 /nfs/dbraw/zinc/54/25/24/979542524.db2.gz UFWBIYXIEVPWSE-SFYZADRCSA-N 1 2 211.265 1.024 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236623121 979684409 /nfs/dbraw/zinc/68/44/09/979684409.db2.gz CKQJVRUHINQBMC-SECBINFHSA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236623121 979684414 /nfs/dbraw/zinc/68/44/14/979684414.db2.gz CKQJVRUHINQBMC-SECBINFHSA-N 1 2 239.706 1.541 20 0 BDADLO CCn1c[nH+]cc1CN1CCCC(=O)CC1 ZINC001237592233 979949458 /nfs/dbraw/zinc/94/94/58/979949458.db2.gz HAVXTMQNYLNPBQ-UHFFFAOYSA-N 1 2 221.304 1.458 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccno1 ZINC001237596440 979955698 /nfs/dbraw/zinc/95/56/98/979955698.db2.gz YKFNIVSXCUVUSZ-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1cn[nH]c1CC ZINC001237650903 979985713 /nfs/dbraw/zinc/98/57/13/979985713.db2.gz KPAQZALHDIUACD-UHFFFAOYSA-N 1 2 239.319 1.357 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1cn[nH]c1CC ZINC001237650903 979985726 /nfs/dbraw/zinc/98/57/26/979985726.db2.gz KPAQZALHDIUACD-UHFFFAOYSA-N 1 2 239.319 1.357 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCCC(=O)CC1 ZINC001237647274 979997077 /nfs/dbraw/zinc/99/70/77/979997077.db2.gz RWJJJFLMVGYBLO-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCCC(=O)CC1 ZINC001237647274 979997083 /nfs/dbraw/zinc/99/70/83/979997083.db2.gz RWJJJFLMVGYBLO-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001237652306 980009668 /nfs/dbraw/zinc/00/96/68/980009668.db2.gz RDVZDPYFOPWBDX-ONGXEEELSA-N 1 2 241.310 1.124 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001237652306 980009677 /nfs/dbraw/zinc/00/96/77/980009677.db2.gz RDVZDPYFOPWBDX-ONGXEEELSA-N 1 2 241.310 1.124 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238022589 980126878 /nfs/dbraw/zinc/12/68/78/980126878.db2.gz GAPOBWLLMGBLGY-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238022589 980126887 /nfs/dbraw/zinc/12/68/87/980126887.db2.gz GAPOBWLLMGBLGY-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)ccn1 ZINC001250315563 980756435 /nfs/dbraw/zinc/75/64/35/980756435.db2.gz PATNIEKNSOMCKB-UHFFFAOYSA-N 1 2 203.245 1.529 20 0 BDADLO CCc1cn(Cc2nc(COC)no2)c[nH+]1 ZINC001190097324 980844725 /nfs/dbraw/zinc/84/47/25/980844725.db2.gz SIRXOCKGMDMRSP-UHFFFAOYSA-N 1 2 222.248 1.023 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000274065549 980903583 /nfs/dbraw/zinc/90/35/83/980903583.db2.gz DYCNHJIFDNQHJG-NSHDSACASA-N 1 2 242.344 1.024 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc[nH]c2)C1 ZINC000274065549 980903584 /nfs/dbraw/zinc/90/35/84/980903584.db2.gz DYCNHJIFDNQHJG-NSHDSACASA-N 1 2 242.344 1.024 20 0 BDADLO CC[C@@H](F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001347191153 980998951 /nfs/dbraw/zinc/99/89/51/980998951.db2.gz QLAOSIWIYKQWRL-SECBINFHSA-N 1 2 227.283 1.483 20 0 BDADLO CC/C=C(\F)C(=O)NCCc1[nH+]ccn1C ZINC001347347120 981053732 /nfs/dbraw/zinc/05/37/32/981053732.db2.gz ZSFFLZIQUHZYCX-WTKPLQERSA-N 1 2 225.267 1.342 20 0 BDADLO COCCOC(=O)NCc1c[nH+]cn1C(C)C ZINC001193438705 981318416 /nfs/dbraw/zinc/31/84/16/981318416.db2.gz DQVBFFAZLGKNJC-UHFFFAOYSA-N 1 2 241.291 1.337 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CSC(F)F ZINC001349317172 981529825 /nfs/dbraw/zinc/52/98/25/981529825.db2.gz RWKGTFBAQLLOMJ-UHFFFAOYSA-N 1 2 249.286 1.035 20 0 BDADLO CC[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001583333630 981813275 /nfs/dbraw/zinc/81/32/75/981813275.db2.gz MADYCGPMZUPRAT-SECBINFHSA-N 1 2 209.293 1.125 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\[C@H]2CCOC2)o1 ZINC001349986304 981838418 /nfs/dbraw/zinc/83/84/18/981838418.db2.gz MYQRAHHSQDYVJI-TYRPZCRBSA-N 1 2 223.276 1.181 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001350051314 981854430 /nfs/dbraw/zinc/85/44/30/981854430.db2.gz DIPUGIMOTXXYHB-SNVBAGLBSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CC(F)F ZINC001351036429 982181474 /nfs/dbraw/zinc/18/14/74/982181474.db2.gz ZDOALOKWHIKSDV-ZETCQYMHSA-N 1 2 231.246 1.360 20 0 BDADLO CC[C@](C)(O)CNc1cc(N(C)C)[nH+]cn1 ZINC001351964045 982421684 /nfs/dbraw/zinc/42/16/84/982421684.db2.gz UABVERUBDRUVIO-NSHDSACASA-N 1 2 224.308 1.116 20 0 BDADLO CC[C@H](O)C[N@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785906 982591661 /nfs/dbraw/zinc/59/16/61/982591661.db2.gz LLSKIHMMFQFLKV-ONGXEEELSA-N 1 2 223.320 1.175 20 0 BDADLO CC[C@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@H](C)C1 ZINC001197785906 982591670 /nfs/dbraw/zinc/59/16/70/982591670.db2.gz LLSKIHMMFQFLKV-ONGXEEELSA-N 1 2 223.320 1.175 20 0 BDADLO CNC(=O)CCC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001198641169 982812169 /nfs/dbraw/zinc/81/21/69/982812169.db2.gz NSWQTRMRPWXGTN-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO CNC(=O)CCC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001198641169 982812174 /nfs/dbraw/zinc/81/21/74/982812174.db2.gz NSWQTRMRPWXGTN-VIFPVBQESA-N 1 2 234.290 1.632 20 0 BDADLO Cc1ccc(CO)cc1-c1c[nH+]cn1C ZINC001242666713 984032359 /nfs/dbraw/zinc/03/23/59/984032359.db2.gz FSJPADNVEYXVDA-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172416118 974686527 /nfs/dbraw/zinc/68/65/27/974686527.db2.gz DLVSVEMEDUGITM-BBBLOLIVSA-N 1 2 207.264 1.793 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172416118 974686532 /nfs/dbraw/zinc/68/65/32/974686532.db2.gz DLVSVEMEDUGITM-BBBLOLIVSA-N 1 2 207.264 1.793 20 0 BDADLO CCCOC(=O)C[NH2+][C@H](C)CCOC(C)C ZINC001172444546 974803924 /nfs/dbraw/zinc/80/39/24/974803924.db2.gz MKAOLHIOCBYVIG-LLVKDONJSA-N 1 2 231.336 1.733 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC/C=C/C1CC1 ZINC001327902005 972802328 /nfs/dbraw/zinc/80/23/28/972802328.db2.gz NMWPKXBQLDGPME-NSCUHMNNSA-N 1 2 219.288 1.045 20 0 BDADLO CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001329374042 973714924 /nfs/dbraw/zinc/71/49/24/973714924.db2.gz ZHOQOFWQCXZAGU-WCBMZHEXSA-N 1 2 239.319 1.500 20 0 BDADLO C[C@@H](Cc1ccccn1)[NH+]1CC2(CCO2)C1 ZINC001256421525 970826609 /nfs/dbraw/zinc/82/66/09/970826609.db2.gz KXCAJGAXNKBCIN-NSHDSACASA-N 1 2 218.300 1.487 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccccn2)CCO1 ZINC001256423110 970828733 /nfs/dbraw/zinc/82/87/33/970828733.db2.gz DPZQFQCKRKFPCW-FZMZJTMJSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccn2)CCO1 ZINC001256423110 970828740 /nfs/dbraw/zinc/82/87/40/970828740.db2.gz DPZQFQCKRKFPCW-FZMZJTMJSA-N 1 2 248.326 1.302 20 0 BDADLO CNc1cc(N2CCC(C)(CO)CC2)nc[nH+]1 ZINC000402723182 970838912 /nfs/dbraw/zinc/83/89/12/970838912.db2.gz WZPRXEYCISCEIH-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CCC(C)(CO)CC2)[nH+]cn1 ZINC000402723182 970838919 /nfs/dbraw/zinc/83/89/19/970838919.db2.gz WZPRXEYCISCEIH-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO Cc1ncoc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001129593543 970862480 /nfs/dbraw/zinc/86/24/80/970862480.db2.gz AJNYZLPPTLNKLR-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001256619241 970885083 /nfs/dbraw/zinc/88/50/83/970885083.db2.gz WHQPDDGCPDQNGV-YUMQZZPRSA-N 1 2 204.233 1.438 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001256661179 970908441 /nfs/dbraw/zinc/90/84/41/970908441.db2.gz ZGVIHMVXJXKZLO-SVRRBLITSA-N 1 2 204.233 1.507 20 0 BDADLO CCc1cc([N@@H+]2C(=N)C=CC(F)=C2N)ccc1N ZINC001216035477 970909488 /nfs/dbraw/zinc/90/94/88/970909488.db2.gz DPJKKCJTZLHFKC-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO CCc1cc([N@H+]2C(=N)C=CC(F)=C2N)ccc1N ZINC001216035477 970909493 /nfs/dbraw/zinc/90/94/93/970909493.db2.gz DPJKKCJTZLHFKC-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO CC[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC000306462463 970927826 /nfs/dbraw/zinc/92/78/26/970927826.db2.gz HOBSGTCLKKLQFS-UHFFFAOYSA-N 1 2 200.282 1.215 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC001256721460 970940917 /nfs/dbraw/zinc/94/09/17/970940917.db2.gz ODCRRMOKBGZCEK-QWRGUYRKSA-N 1 2 236.315 1.554 20 0 BDADLO COc1nc(C)cc(C2=C[NH2+]CCC2)n1 ZINC001243946891 971033119 /nfs/dbraw/zinc/03/31/19/971033119.db2.gz ACBJVUHZYNPCAC-UHFFFAOYSA-N 1 2 205.261 1.518 20 0 BDADLO CCOC(=O)c1ncncc1C1=C[NH2+]CCC1 ZINC001243952298 971050384 /nfs/dbraw/zinc/05/03/84/971050384.db2.gz NGSLNFJOJIZTRC-UHFFFAOYSA-N 1 2 233.271 1.378 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000403931946 971093727 /nfs/dbraw/zinc/09/37/27/971093727.db2.gz JVGRDKFIIHAZFF-JIVBQCDMSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000403931946 971093740 /nfs/dbraw/zinc/09/37/40/971093740.db2.gz JVGRDKFIIHAZFF-JIVBQCDMSA-N 1 2 241.331 1.605 20 0 BDADLO CCCOC(=O)C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257085193 971097712 /nfs/dbraw/zinc/09/77/12/971097712.db2.gz JTUWXAXMRGOCSX-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO CCC(CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257293820 971181740 /nfs/dbraw/zinc/18/17/40/971181740.db2.gz IXAKULKTGURQMK-LLVKDONJSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCn3cncc3C2)C1 ZINC001170562080 971187582 /nfs/dbraw/zinc/18/75/82/971187582.db2.gz WVQKFFUSXDRDEA-MNOVXSKESA-N 1 2 249.314 1.040 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCn3cncc3C2)C1 ZINC001170562080 971187585 /nfs/dbraw/zinc/18/75/85/971187585.db2.gz WVQKFFUSXDRDEA-MNOVXSKESA-N 1 2 249.314 1.040 20 0 BDADLO CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186315959 971187983 /nfs/dbraw/zinc/18/79/83/971187983.db2.gz IHKLJSKJZWJOPO-UHFFFAOYSA-N 1 2 248.330 1.323 20 0 BDADLO COC(=O)[C@@H](Cc1cccnc1)[NH2+]C1CCCC1 ZINC001257348959 971258128 /nfs/dbraw/zinc/25/81/28/971258128.db2.gz LFJLQARWGMKJBI-CYBMUJFWSA-N 1 2 248.326 1.698 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000308652887 971278767 /nfs/dbraw/zinc/27/87/67/971278767.db2.gz LZOKTQLILIHPLJ-DTWKUNHWSA-N 1 2 217.334 1.279 20 0 BDADLO O[C@H]1CC[NH2+][C@H](c2nnc(C3CCC3)o2)C1 ZINC001217696320 971331828 /nfs/dbraw/zinc/33/18/28/971331828.db2.gz NRAJDQWOEMNWLZ-IUCAKERBSA-N 1 2 223.276 1.123 20 0 BDADLO CCCCCc1nnc([C@@H]([NH3+])COC)o1 ZINC001217714862 971355958 /nfs/dbraw/zinc/35/59/58/971355958.db2.gz OAQRFCKUYZPFMI-QMMMGPOBSA-N 1 2 213.281 1.449 20 0 BDADLO CCc1nnc([C@@H]2[NH2+]CCc3ccccc32)o1 ZINC001217719751 971357771 /nfs/dbraw/zinc/35/77/71/971357771.db2.gz DCVJTZHFFGLPDG-GFCCVEGCSA-N 1 2 229.283 1.867 20 0 BDADLO CN1CC2(C1)C[NH+](Cc1ccsc1)C2 ZINC001204045390 971463395 /nfs/dbraw/zinc/46/33/95/971463395.db2.gz QPOHZTVJEIKFFB-UHFFFAOYSA-N 1 2 208.330 1.496 20 0 BDADLO CCC[NH+]1CCN([C@@H]2CCCSC2)CC1 ZINC001257675801 971478656 /nfs/dbraw/zinc/47/86/56/971478656.db2.gz FLLMQXTZGBYYFD-GFCCVEGCSA-N 1 2 228.405 1.910 20 0 BDADLO Oc1cc2c(cc1O[C@H]1C[C@H](O)C1)CC[NH+]=C2 ZINC001218363836 971743639 /nfs/dbraw/zinc/74/36/39/971743639.db2.gz HEGULSVCGPAFTK-XYPYZODXSA-N 1 2 233.267 1.269 20 0 BDADLO Cc1cc(-c2cncnc2C)c[nH+]c1N ZINC001245538220 971852643 /nfs/dbraw/zinc/85/26/43/971852643.db2.gz YNPYKEVFWJVDEI-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC=C(Cl)Cl ZINC000407390707 971881449 /nfs/dbraw/zinc/88/14/49/971881449.db2.gz GCZXCKKIQSTJCR-UHFFFAOYSA-N 1 2 248.113 1.708 20 0 BDADLO C[NH2+]CCC(=O)Nc1ccccc1S ZINC001218830938 971951188 /nfs/dbraw/zinc/95/11/88/971951188.db2.gz MSWHLVNMHXNIJX-UHFFFAOYSA-N 1 2 210.302 1.523 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc[nH]1 ZINC000190587058 972035935 /nfs/dbraw/zinc/03/59/35/972035935.db2.gz BXUXUNUHQGDEIU-NSHDSACASA-N 1 2 222.288 1.542 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc[nH]1 ZINC000190587058 972035939 /nfs/dbraw/zinc/03/59/39/972035939.db2.gz BXUXUNUHQGDEIU-NSHDSACASA-N 1 2 222.288 1.542 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc[nH]1 ZINC000190806737 972056095 /nfs/dbraw/zinc/05/60/95/972056095.db2.gz ANOXOBPMKBTWPI-NSHDSACASA-N 1 2 222.288 1.542 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc[nH]1 ZINC000190806737 972056099 /nfs/dbraw/zinc/05/60/99/972056099.db2.gz ANOXOBPMKBTWPI-NSHDSACASA-N 1 2 222.288 1.542 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC000191965588 972114718 /nfs/dbraw/zinc/11/47/18/972114718.db2.gz YONWENOJEWJYQV-ZDCRXTMVSA-N 1 2 229.320 1.077 20 0 BDADLO COC(C)(C)CC(=O)OCc1c[nH+]cn1C ZINC000786437868 972220471 /nfs/dbraw/zinc/22/04/71/972220471.db2.gz NHNUSSPCQYXZFH-UHFFFAOYSA-N 1 2 226.276 1.278 20 0 BDADLO Nc1ccc(Cn2cc(C3CC3)cn2)c[nH+]1 ZINC000402086282 956895574 /nfs/dbraw/zinc/89/55/74/956895574.db2.gz FHIKPSPJHQYADH-UHFFFAOYSA-N 1 2 214.272 1.616 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(C)C2)c(OC)n1 ZINC001139919148 957042411 /nfs/dbraw/zinc/04/24/11/957042411.db2.gz BLDGFBXHVJABLN-UHFFFAOYSA-N 1 2 236.315 1.941 20 0 BDADLO CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167792 957050851 /nfs/dbraw/zinc/05/08/51/957050851.db2.gz GSMKKFSOAFYIID-NDBYEHHHSA-N 1 2 235.327 1.979 20 0 BDADLO CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167792 957050857 /nfs/dbraw/zinc/05/08/57/957050857.db2.gz GSMKKFSOAFYIID-NDBYEHHHSA-N 1 2 235.327 1.979 20 0 BDADLO CC(=O)N1CCC(C[N@@H+]2CCC(F)(F)C2)CC1 ZINC001208674060 957118438 /nfs/dbraw/zinc/11/84/38/957118438.db2.gz ZYOQRXSQXPUERH-UHFFFAOYSA-N 1 2 246.301 1.586 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1C ZINC001136710595 972243634 /nfs/dbraw/zinc/24/36/34/972243634.db2.gz RGTKJKAXTIWJAO-SCZZXKLOSA-N 1 2 221.304 1.565 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1Cc2cnc(C)cc2C1 ZINC001208720594 957138602 /nfs/dbraw/zinc/13/86/02/957138602.db2.gz HIZNIBNRFJZMRL-VIFPVBQESA-N 1 2 234.299 1.515 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1Cc2cnc(C)cc2C1 ZINC001208720594 957138614 /nfs/dbraw/zinc/13/86/14/957138614.db2.gz HIZNIBNRFJZMRL-VIFPVBQESA-N 1 2 234.299 1.515 20 0 BDADLO C[C@@H](C[NH+]1CC(N2CC(F)C2)C1)C(F)(F)F ZINC001208888014 957207850 /nfs/dbraw/zinc/20/78/50/957207850.db2.gz RDCNWLNTAPTJGW-ZETCQYMHSA-N 1 2 240.244 1.523 20 0 BDADLO C[NH+](C)C1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000036192777 957227170 /nfs/dbraw/zinc/22/71/70/957227170.db2.gz WZYAWZDNHACTCH-UHFFFAOYSA-N 1 2 249.314 1.310 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988245 957298745 /nfs/dbraw/zinc/29/87/45/957298745.db2.gz RJXYJEFQJJAYSW-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988245 957298737 /nfs/dbraw/zinc/29/87/37/957298737.db2.gz RJXYJEFQJJAYSW-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc(Cl)nc2)C[C@H]1O ZINC001139988364 957306007 /nfs/dbraw/zinc/30/60/07/957306007.db2.gz VGNQWPNIZHVOCJ-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc(Cl)nc2)C[C@H]1O ZINC001139988364 957306019 /nfs/dbraw/zinc/30/60/19/957306019.db2.gz VGNQWPNIZHVOCJ-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CCC(F)(F)F ZINC000079781786 957363610 /nfs/dbraw/zinc/36/36/10/957363610.db2.gz IXGCFSXZYNAIHL-UHFFFAOYSA-N 1 2 249.236 1.421 20 0 BDADLO COC(=O)[C@H](C)N(C)c1cc2[nH]ccc2c[nH+]1 ZINC001167113390 957395412 /nfs/dbraw/zinc/39/54/12/957395412.db2.gz URPMTVTVYNFDBB-QMMMGPOBSA-N 1 2 233.271 1.561 20 0 BDADLO CCN(CC(C)(C)O)c1nc(C)[nH+]c(C)c1C ZINC001167159461 957497980 /nfs/dbraw/zinc/49/79/80/957497980.db2.gz GCVFCKKJUKUUQT-UHFFFAOYSA-N 1 2 237.347 1.999 20 0 BDADLO COC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001136837607 972270370 /nfs/dbraw/zinc/27/03/70/972270370.db2.gz KLCFZVBYQATAKX-LLVKDONJSA-N 1 2 239.319 1.048 20 0 BDADLO c1cc(NCc2cncnc2)[nH+]c2c1COCC2 ZINC001167255953 957591032 /nfs/dbraw/zinc/59/10/32/957591032.db2.gz ACABDPQJQUECLO-UHFFFAOYSA-N 1 2 242.282 1.556 20 0 BDADLO CNc1cc(N2CCC(COC)CC2)nc[nH+]1 ZINC000133859643 957617222 /nfs/dbraw/zinc/61/72/22/957617222.db2.gz MYEAOIGRQNRUMX-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N2CCC(COC)CC2)[nH+]cn1 ZINC000133859643 957617226 /nfs/dbraw/zinc/61/72/26/957617226.db2.gz MYEAOIGRQNRUMX-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO Cc1cc(-n2cc(N)c(N)n2)ccc1[NH+](C)C ZINC001210042193 957628027 /nfs/dbraw/zinc/62/80/27/957628027.db2.gz DKTFQODSNUADKA-UHFFFAOYSA-N 1 2 231.303 1.411 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cn3ccccc3n2)CC[C@H]1F ZINC001136875899 972287154 /nfs/dbraw/zinc/28/71/54/972287154.db2.gz KBSWLCPBNPHRMG-VXGBXAGGSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)CC[C@H]1F ZINC001136875899 972287161 /nfs/dbraw/zinc/28/71/61/972287161.db2.gz KBSWLCPBNPHRMG-VXGBXAGGSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1nnc(C2CC[NH+](Cc3c[nH]cn3)CC2)o1 ZINC001136871987 972292936 /nfs/dbraw/zinc/29/29/36/972292936.db2.gz YTTZMSKMLHILIO-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO NC(=O)c1ccccc1CNc1cccc[nH+]1 ZINC000149862454 957814563 /nfs/dbraw/zinc/81/45/63/957814563.db2.gz XJKZHKOSDPTYKT-UHFFFAOYSA-N 1 2 227.267 1.793 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCC=CO1)Cn1cc[nH+]c1 ZINC001136892733 972295669 /nfs/dbraw/zinc/29/56/69/972295669.db2.gz IFEURHBYGOYXQG-NWDGAFQWSA-N 1 2 249.314 1.328 20 0 BDADLO COc1cc(Nc2c(N)cn[nH]c2=O)cc(C)[nH+]1 ZINC001210775503 957874546 /nfs/dbraw/zinc/87/45/46/957874546.db2.gz XAKLSJNYGFTJSL-UHFFFAOYSA-N 1 2 247.258 1.220 20 0 BDADLO Cc1cccn2c(CN3C[C@@H](O)[C@@H](F)C3)c[nH+]c12 ZINC001136958580 972306289 /nfs/dbraw/zinc/30/62/89/972306289.db2.gz WHPDGPGZVDGHPQ-NWDGAFQWSA-N 1 2 249.289 1.157 20 0 BDADLO CC(=O)N1CC(Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001171075472 972313993 /nfs/dbraw/zinc/31/39/93/972313993.db2.gz VPLWITLMHCPWPC-UHFFFAOYSA-N 1 2 230.271 1.206 20 0 BDADLO CC(C)[C@@](C)(Nc1ccn2cc[nH+]c2c1)C(N)=O ZINC001167411731 958037619 /nfs/dbraw/zinc/03/76/19/958037619.db2.gz SPFICOAWOUCIBQ-CYBMUJFWSA-N 1 2 246.314 1.646 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(F)F ZINC001299155752 958063245 /nfs/dbraw/zinc/06/32/45/958063245.db2.gz BJUZYDMQHPHCIH-SSDOTTSWSA-N 1 2 231.246 1.123 20 0 BDADLO O=c1cc(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)cc[nH]1 ZINC001207118358 958064517 /nfs/dbraw/zinc/06/45/17/958064517.db2.gz AOYXKNAWMLCCNA-VIFPVBQESA-N 1 2 246.232 1.966 20 0 BDADLO O=c1cc(C[N@H+]2CCC(F)(F)[C@@H](F)C2)cc[nH]1 ZINC001207118358 958064528 /nfs/dbraw/zinc/06/45/28/958064528.db2.gz AOYXKNAWMLCCNA-VIFPVBQESA-N 1 2 246.232 1.966 20 0 BDADLO CCC(=O)NCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001279466238 958077818 /nfs/dbraw/zinc/07/78/18/958077818.db2.gz XFTNIPSIABYBIT-UHFFFAOYSA-N 1 2 249.314 1.333 20 0 BDADLO CCC(=O)NCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001279466238 958077835 /nfs/dbraw/zinc/07/78/35/958077835.db2.gz XFTNIPSIABYBIT-UHFFFAOYSA-N 1 2 249.314 1.333 20 0 BDADLO CC(C)OCC(=O)NCCOc1cc[nH+]cc1 ZINC001143380319 958093471 /nfs/dbraw/zinc/09/34/71/958093471.db2.gz QYKFZYBRJNQZSJ-UHFFFAOYSA-N 1 2 238.287 1.002 20 0 BDADLO C[C@H](Nc1cc(N)nc[nH+]1)c1csnn1 ZINC000398289148 958190276 /nfs/dbraw/zinc/19/02/76/958190276.db2.gz HOULABRNGQYLAG-YFKPBYRVSA-N 1 2 222.277 1.083 20 0 BDADLO C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000092926568 958201687 /nfs/dbraw/zinc/20/16/87/958201687.db2.gz IAROJMWOWCENKG-MNOVXSKESA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCn1cc[nH+]c1 ZINC000092926568 958201707 /nfs/dbraw/zinc/20/17/07/958201707.db2.gz IAROJMWOWCENKG-MNOVXSKESA-N 1 2 237.303 1.068 20 0 BDADLO CCc1cc(N(CC)CCO)nc(CC)[nH+]1 ZINC000891427101 958348383 /nfs/dbraw/zinc/34/83/83/958348383.db2.gz SCCAKQRPWJTWEH-UHFFFAOYSA-N 1 2 223.320 1.420 20 0 BDADLO CC1(C)CC[C@H](N[C@@H]2C[NH2+]CC2(F)F)C1 ZINC001246466928 972342145 /nfs/dbraw/zinc/34/21/45/972342145.db2.gz XQFNSVXZCMAGKI-DTWKUNHWSA-N 1 2 218.291 1.762 20 0 BDADLO CC1(C)CC[C@H]([NH2+][C@@H]2CNCC2(F)F)C1 ZINC001246466928 972342148 /nfs/dbraw/zinc/34/21/48/972342148.db2.gz XQFNSVXZCMAGKI-DTWKUNHWSA-N 1 2 218.291 1.762 20 0 BDADLO CC1CCC(N[C@H]2C[NH2+]CC2(F)F)CC1 ZINC001246466082 972343805 /nfs/dbraw/zinc/34/38/05/972343805.db2.gz VKPNAHPNKIFABB-RTBKNWGFSA-N 1 2 218.291 1.762 20 0 BDADLO CC1CCC([NH2+][C@H]2CNCC2(F)F)CC1 ZINC001246466082 972343810 /nfs/dbraw/zinc/34/38/10/972343810.db2.gz VKPNAHPNKIFABB-RTBKNWGFSA-N 1 2 218.291 1.762 20 0 BDADLO COc1ccncc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421012762 972354278 /nfs/dbraw/zinc/35/42/78/972354278.db2.gz FRHWJUNTJFLKBQ-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccncc1C[N@H+]1CC[C@]12CCOC2 ZINC000421012762 972354279 /nfs/dbraw/zinc/35/42/79/972354279.db2.gz FRHWJUNTJFLKBQ-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@@H]2CC[C@@H]3C[C@@H]32)o1 ZINC001327040825 972357445 /nfs/dbraw/zinc/35/74/45/972357445.db2.gz CFWVDBFLCGTZCY-UTLUCORTSA-N 1 2 221.304 1.720 20 0 BDADLO Cc1c[nH]c(CNc2[nH+]cnc3c2cnn3C)n1 ZINC000693493218 958569667 /nfs/dbraw/zinc/56/96/67/958569667.db2.gz VQEPIOJPCBMANZ-UHFFFAOYSA-N 1 2 243.274 1.007 20 0 BDADLO CNc1cc(N2CCC(SC)CC2)nc[nH+]1 ZINC000300838896 958666831 /nfs/dbraw/zinc/66/68/31/958666831.db2.gz LTKHPNLWNVNIGS-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CNc1cc(N2CCC(SC)CC2)[nH+]cn1 ZINC000300838896 958666838 /nfs/dbraw/zinc/66/68/38/958666838.db2.gz LTKHPNLWNVNIGS-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CC1(C)CC[C@@H](COCCn2cc[nH+]c2)O1 ZINC001222128740 972376425 /nfs/dbraw/zinc/37/64/25/972376425.db2.gz DJXYAUGGBGYPFH-NSHDSACASA-N 1 2 224.304 1.857 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2c(F)cc(F)cc2F)C1 ZINC001140533140 958800319 /nfs/dbraw/zinc/80/03/19/958800319.db2.gz VOMYWMWIKVYCOR-QMMMGPOBSA-N 1 2 245.244 1.918 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2c(F)cc(F)cc2F)C1 ZINC001140533140 958800325 /nfs/dbraw/zinc/80/03/25/958800325.db2.gz VOMYWMWIKVYCOR-QMMMGPOBSA-N 1 2 245.244 1.918 20 0 BDADLO CC1(C)OC[C@H](CCOCCn2cc[nH+]c2)O1 ZINC001222134485 972381462 /nfs/dbraw/zinc/38/14/62/972381462.db2.gz DQAQMJPLFGHGAD-NSHDSACASA-N 1 2 240.303 1.441 20 0 BDADLO CCC[C@@H](OCCn1cc[nH+]c1)C(=O)OCC ZINC001222134866 972384833 /nfs/dbraw/zinc/38/48/33/972384833.db2.gz QQCRWSFXDOVBFT-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO c1cn(CCO[C@@H]2COc3cnccc32)c[nH+]1 ZINC001222139706 972388071 /nfs/dbraw/zinc/38/80/71/972388071.db2.gz UUIRLQORODCCJN-GFCCVEGCSA-N 1 2 231.255 1.428 20 0 BDADLO Cc1nc(NC[C@]23C[C@H]2CCC3)nc(N)[nH+]1 ZINC000693616881 959005428 /nfs/dbraw/zinc/00/54/28/959005428.db2.gz QVXOUPZQXIHGAE-KCJUWKMLSA-N 1 2 219.292 1.364 20 0 BDADLO Cc1nc(N)nc(NC[C@]23C[C@H]2CCC3)[nH+]1 ZINC000693616881 959005448 /nfs/dbraw/zinc/00/54/48/959005448.db2.gz QVXOUPZQXIHGAE-KCJUWKMLSA-N 1 2 219.292 1.364 20 0 BDADLO Cc1[nH+]c[nH]c1CN(C)Cc1ccno1 ZINC001204594516 959022184 /nfs/dbraw/zinc/02/21/84/959022184.db2.gz LZXGNLOFXDKZHU-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Nc1cc(CNc2ncc(F)cn2)cc[nH+]1 ZINC001167617581 959083525 /nfs/dbraw/zinc/08/35/25/959083525.db2.gz QDAIQDNFFSGKQR-UHFFFAOYSA-N 1 2 219.223 1.205 20 0 BDADLO COc1ccc(NCc2cc[nH+]c(N)c2)c(C)n1 ZINC001167617445 959092631 /nfs/dbraw/zinc/09/26/31/959092631.db2.gz NEISCKRDOLZNTM-UHFFFAOYSA-N 1 2 244.298 1.988 20 0 BDADLO Cc1[nH]c(CN2CCCOCC2)c(C)[nH+]1 ZINC000724775090 959304200 /nfs/dbraw/zinc/30/42/00/959304200.db2.gz VALXHZWKGNHJET-UHFFFAOYSA-N 1 2 209.293 1.249 20 0 BDADLO [NH3+][C@@H](CC(=O)NCC[C@@H]1CC1(F)F)C(F)F ZINC000724738935 959325891 /nfs/dbraw/zinc/32/58/91/959325891.db2.gz JWZCZZFOYQDPQR-RITPCOANSA-N 1 2 242.216 1.130 20 0 BDADLO CC1(C)C(NC(=O)C[C@@H]([NH3+])C(F)F)C1(C)C ZINC000724751995 959361904 /nfs/dbraw/zinc/36/19/04/959361904.db2.gz OEWNSQXGWJBGDH-ZCFIWIBFSA-N 1 2 234.290 1.520 20 0 BDADLO [NH3+][C@@H](CC(=O)NCCCCC1CC1)C(F)F ZINC000724750452 959365725 /nfs/dbraw/zinc/36/57/25/959365725.db2.gz DRJRQPOHHGDOSO-VIFPVBQESA-N 1 2 234.290 1.665 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001203206907 959417900 /nfs/dbraw/zinc/41/79/00/959417900.db2.gz YFFURMZTTISYRM-PWSUYJOCSA-N 1 2 220.320 1.959 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001203206907 959417913 /nfs/dbraw/zinc/41/79/13/959417913.db2.gz YFFURMZTTISYRM-PWSUYJOCSA-N 1 2 220.320 1.959 20 0 BDADLO CC1(C)CC(NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724767458 959423455 /nfs/dbraw/zinc/42/34/55/959423455.db2.gz TUVVUCJURSAAPD-ZETCQYMHSA-N 1 2 220.263 1.274 20 0 BDADLO CCC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001143959909 972430053 /nfs/dbraw/zinc/43/00/53/972430053.db2.gz FMWGYCGZURZNHX-UHFFFAOYSA-N 1 2 235.287 1.026 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2ncco2)C1 ZINC000259994553 959580553 /nfs/dbraw/zinc/58/05/53/959580553.db2.gz LJXDNRRUWZWUNC-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2ncco2)C1 ZINC000259994553 959580569 /nfs/dbraw/zinc/58/05/69/959580569.db2.gz LJXDNRRUWZWUNC-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO Cn1cnc2ccc(C[N@@H+]3C[C@@H](O)[C@@H](F)C3)cc21 ZINC001140735568 959770561 /nfs/dbraw/zinc/77/05/61/959770561.db2.gz XLSHPOQNSPOVJU-GXFFZTMASA-N 1 2 249.289 1.088 20 0 BDADLO Cn1cnc2ccc(C[N@H+]3C[C@@H](O)[C@@H](F)C3)cc21 ZINC001140735568 959770573 /nfs/dbraw/zinc/77/05/73/959770573.db2.gz XLSHPOQNSPOVJU-GXFFZTMASA-N 1 2 249.289 1.088 20 0 BDADLO CNc1nc(SC)ncc1C[NH+]1CCC1 ZINC001140835644 959950533 /nfs/dbraw/zinc/95/05/33/959950533.db2.gz CMPMRHQJZJMMTJ-UHFFFAOYSA-N 1 2 224.333 1.446 20 0 BDADLO CC(C)NC(=S)NCCCCn1cc[nH+]c1 ZINC000136138373 960129242 /nfs/dbraw/zinc/12/92/42/960129242.db2.gz KAKMLWVZCYDSPE-UHFFFAOYSA-N 1 2 240.376 1.536 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ncn(C)n1 ZINC000695657907 960327129 /nfs/dbraw/zinc/32/71/29/960327129.db2.gz ZBUOQLCKQJFRPK-SFYZADRCSA-N 1 2 228.727 1.626 20 0 BDADLO Cc1noc(C2C[NH+](Cc3ocnc3C)C2)n1 ZINC001353592179 960393940 /nfs/dbraw/zinc/39/39/40/960393940.db2.gz BVGJRCIMOAMYAS-UHFFFAOYSA-N 1 2 234.259 1.274 20 0 BDADLO Cc1ccc(F)cc1C[NH+]1CC2(CN(C)C2)C1 ZINC001140593321 960449316 /nfs/dbraw/zinc/44/93/16/960449316.db2.gz CSBUFBDGLRYEKE-UHFFFAOYSA-N 1 2 234.318 1.882 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001203052689 960459148 /nfs/dbraw/zinc/45/91/48/960459148.db2.gz KZZLGUVFRGALMA-VIFPVBQESA-N 1 2 235.331 1.448 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001203052689 960459158 /nfs/dbraw/zinc/45/91/58/960459158.db2.gz KZZLGUVFRGALMA-VIFPVBQESA-N 1 2 235.331 1.448 20 0 BDADLO C[N@H+](Cc1ccc(CO)o1)Cc1cncs1 ZINC001140684504 960499727 /nfs/dbraw/zinc/49/97/27/960499727.db2.gz LPGIRZKPZJKKRP-UHFFFAOYSA-N 1 2 238.312 1.860 20 0 BDADLO C[N@@H+](Cc1ccc(CO)o1)Cc1cncs1 ZINC001140684504 960499734 /nfs/dbraw/zinc/49/97/34/960499734.db2.gz LPGIRZKPZJKKRP-UHFFFAOYSA-N 1 2 238.312 1.860 20 0 BDADLO O[C@]1(CF)CC[N@H+](Cc2cc[nH]c2)C[C@@H]1F ZINC001140704716 960515497 /nfs/dbraw/zinc/51/54/97/960515497.db2.gz DAWUYDAWPPOPAB-QWRGUYRKSA-N 1 2 230.258 1.259 20 0 BDADLO O[C@]1(CF)CC[N@@H+](Cc2cc[nH]c2)C[C@@H]1F ZINC001140704716 960515503 /nfs/dbraw/zinc/51/55/03/960515503.db2.gz DAWUYDAWPPOPAB-QWRGUYRKSA-N 1 2 230.258 1.259 20 0 BDADLO COc1ncnc2c1CC[N@H+](Cc1cc[nH]c1)C2 ZINC001140707501 960520707 /nfs/dbraw/zinc/52/07/07/960520707.db2.gz OFVPQKCHXTXNLS-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1ncnc2c1CC[N@@H+](Cc1cc[nH]c1)C2 ZINC001140707501 960520718 /nfs/dbraw/zinc/52/07/18/960520718.db2.gz OFVPQKCHXTXNLS-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO C[C@H](CC(=O)NC/C=C\C1CC1)n1cc[nH+]c1 ZINC001327223891 972509291 /nfs/dbraw/zinc/50/92/91/972509291.db2.gz VSANKUUKKINLEP-OTDNITJGSA-N 1 2 233.315 1.917 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1coc2ccccc12 ZINC001140786935 960571353 /nfs/dbraw/zinc/57/13/53/960571353.db2.gz QQTVEXVXDQVWSL-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1coc2ccccc12 ZINC001140786935 960571364 /nfs/dbraw/zinc/57/13/64/960571364.db2.gz QQTVEXVXDQVWSL-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO CNc1nc(SC)ncc1C[NH+]1CC=CC1 ZINC001140836930 960621635 /nfs/dbraw/zinc/62/16/35/960621635.db2.gz YIMRHARTDHJLKB-UHFFFAOYSA-N 1 2 236.344 1.612 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC001574275550 960631810 /nfs/dbraw/zinc/63/18/10/960631810.db2.gz RPRWGHXDVFHTAQ-MWLCHTKSSA-N 1 2 249.314 1.267 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC001574275550 960631814 /nfs/dbraw/zinc/63/18/14/960631814.db2.gz RPRWGHXDVFHTAQ-MWLCHTKSSA-N 1 2 249.314 1.267 20 0 BDADLO CC1(CO)C[NH+](Cc2c(N)cccc2F)C1 ZINC001140872442 960661941 /nfs/dbraw/zinc/66/19/41/960661941.db2.gz DUQYMFSUFJLYJU-UHFFFAOYSA-N 1 2 224.279 1.222 20 0 BDADLO COc1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)cc1N ZINC001140894756 960679679 /nfs/dbraw/zinc/67/96/79/960679679.db2.gz NDAGTBFTRNEWAS-SNVBAGLBSA-N 1 2 248.326 1.831 20 0 BDADLO COc1ccc(C[N@H+]2CCC(=O)C[C@H]2C)cc1N ZINC001140894756 960679695 /nfs/dbraw/zinc/67/96/95/960679695.db2.gz NDAGTBFTRNEWAS-SNVBAGLBSA-N 1 2 248.326 1.831 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001143511885 960697990 /nfs/dbraw/zinc/69/79/90/960697990.db2.gz AGTSTWUSYPECCH-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)n[nH]1 ZINC001203081583 960743349 /nfs/dbraw/zinc/74/33/49/960743349.db2.gz CKDTVMPLFNUEFB-LSJOCFKGSA-N 1 2 209.268 1.650 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)n[nH]1 ZINC001203081583 960743359 /nfs/dbraw/zinc/74/33/59/960743359.db2.gz CKDTVMPLFNUEFB-LSJOCFKGSA-N 1 2 209.268 1.650 20 0 BDADLO CC[N@H+](Cc1cc(C)[nH]n1)CC(C)(C)O ZINC001203082368 960761665 /nfs/dbraw/zinc/76/16/65/960761665.db2.gz QFMBUPXNSOWBDA-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO CC[N@@H+](Cc1cc(C)[nH]n1)CC(C)(C)O ZINC001203082368 960761676 /nfs/dbraw/zinc/76/16/76/960761676.db2.gz QFMBUPXNSOWBDA-UHFFFAOYSA-N 1 2 211.309 1.311 20 0 BDADLO c1coc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC001141008934 960809197 /nfs/dbraw/zinc/80/91/97/960809197.db2.gz QKFIKEQORITAKJ-GFCCVEGCSA-N 1 2 245.282 1.723 20 0 BDADLO c1coc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC001141008934 960809199 /nfs/dbraw/zinc/80/91/99/960809199.db2.gz QKFIKEQORITAKJ-GFCCVEGCSA-N 1 2 245.282 1.723 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1ccncn1 ZINC001141037203 960826317 /nfs/dbraw/zinc/82/63/17/960826317.db2.gz OCTAIFWYVDIVNU-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1ccncn1 ZINC001141037203 960826327 /nfs/dbraw/zinc/82/63/27/960826327.db2.gz OCTAIFWYVDIVNU-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO FC1(F)CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141042408 960828823 /nfs/dbraw/zinc/82/88/23/960828823.db2.gz PMEVSRSZTOOHPK-UHFFFAOYSA-N 1 2 223.226 1.785 20 0 BDADLO CC1(F)CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141047598 960832868 /nfs/dbraw/zinc/83/28/68/960832868.db2.gz MMMGVUJMTDVSGN-UHFFFAOYSA-N 1 2 219.263 1.878 20 0 BDADLO c1cn2ccc(CN3C[C@H]4C[C@@H](C3)O4)cc2[nH+]1 ZINC001141046286 960835653 /nfs/dbraw/zinc/83/56/53/960835653.db2.gz SVBLRJGVNGNGHD-TXEJJXNPSA-N 1 2 229.283 1.307 20 0 BDADLO COC(C[N@H+](C)Cc1ocnc1C)OC ZINC001141053404 960845291 /nfs/dbraw/zinc/84/52/91/960845291.db2.gz FQCKVDZFXWJWEC-UHFFFAOYSA-N 1 2 214.265 1.034 20 0 BDADLO COC(C[N@@H+](C)Cc1ocnc1C)OC ZINC001141053404 960845304 /nfs/dbraw/zinc/84/53/04/960845304.db2.gz FQCKVDZFXWJWEC-UHFFFAOYSA-N 1 2 214.265 1.034 20 0 BDADLO Cc1ncoc1C[N@H+]1CCc2c(cnn2C)C1 ZINC001141054864 960854110 /nfs/dbraw/zinc/85/41/10/960854110.db2.gz BLOQZLHVCNGVPD-UHFFFAOYSA-N 1 2 232.287 1.275 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCc2c(cnn2C)C1 ZINC001141054864 960854119 /nfs/dbraw/zinc/85/41/19/960854119.db2.gz BLOQZLHVCNGVPD-UHFFFAOYSA-N 1 2 232.287 1.275 20 0 BDADLO CC(=O)N1CCC2(C[NH+](Cc3ocnc3C)C2)C1 ZINC001141054408 960855032 /nfs/dbraw/zinc/85/50/32/960855032.db2.gz NXLKQYRMLUJNBR-UHFFFAOYSA-N 1 2 249.314 1.037 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2CCC23COC3)c1 ZINC001141266333 961033033 /nfs/dbraw/zinc/03/30/33/961033033.db2.gz LMGBNOMVOGNBOR-UHFFFAOYSA-N 1 2 232.327 1.727 20 0 BDADLO CN(C)c1cccc(C[N@H+]2CCC23COC3)c1 ZINC001141266333 961033056 /nfs/dbraw/zinc/03/30/56/961033056.db2.gz LMGBNOMVOGNBOR-UHFFFAOYSA-N 1 2 232.327 1.727 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C(C)C)cn1 ZINC001203117987 961275017 /nfs/dbraw/zinc/27/50/17/961275017.db2.gz UEBJMPMJWAPYBZ-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C(C)C)cn1 ZINC001203117987 961275037 /nfs/dbraw/zinc/27/50/37/961275037.db2.gz UEBJMPMJWAPYBZ-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC001343247168 961276864 /nfs/dbraw/zinc/27/68/64/961276864.db2.gz RUTPGYNXZQMWKK-XQQFMLRXSA-N 1 2 246.310 1.577 20 0 BDADLO CCOC(=O)c1cc(C)nc(NC=[NH2+])c1 ZINC001167863921 961328654 /nfs/dbraw/zinc/32/86/54/961328654.db2.gz ISTNJGIFBXZKMA-UHFFFAOYSA-N 1 2 207.233 1.586 20 0 BDADLO COC(=O)c1cc2ncoc2c(NC=[NH2+])c1 ZINC001167868065 961356943 /nfs/dbraw/zinc/35/69/43/961356943.db2.gz PXLIZEZMZSJJCC-UHFFFAOYSA-N 1 2 219.200 1.633 20 0 BDADLO COC(=O)c1nc2cccc(NC=[NH2+])c2o1 ZINC001167870827 961378426 /nfs/dbraw/zinc/37/84/26/961378426.db2.gz DEZMYNNNRZGKBM-UHFFFAOYSA-N 1 2 219.200 1.633 20 0 BDADLO CCOCCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001142521517 961473806 /nfs/dbraw/zinc/47/38/06/961473806.db2.gz TVBFZXXFPXYOQW-UHFFFAOYSA-N 1 2 234.299 1.357 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001481647855 961485132 /nfs/dbraw/zinc/48/51/32/961485132.db2.gz HXGAVROFZMTVJJ-SNVBAGLBSA-N 1 2 230.327 1.296 20 0 BDADLO Cc1[nH+]c[nH]c1CSCCNC(=O)C1CC1 ZINC001142680496 961614024 /nfs/dbraw/zinc/61/40/24/961614024.db2.gz IODCZZYQUMFAQM-UHFFFAOYSA-N 1 2 239.344 1.478 20 0 BDADLO CCC(C)(C)C(=O)NC1C[NH+](CCCF)C1 ZINC001268445287 961781039 /nfs/dbraw/zinc/78/10/39/961781039.db2.gz JKIMOPOQQZEGPL-UHFFFAOYSA-N 1 2 230.327 1.583 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc3nccn3c2)C1 ZINC001143018422 961865114 /nfs/dbraw/zinc/86/51/14/961865114.db2.gz JDSDIDGCBVKUAQ-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc3nccn3c2)C1 ZINC001143018422 961865118 /nfs/dbraw/zinc/86/51/18/961865118.db2.gz JDSDIDGCBVKUAQ-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO C[N@H+](Cc1ccc2nccn2c1)C1(C)COC1 ZINC001143028026 961869661 /nfs/dbraw/zinc/86/96/61/961869661.db2.gz VGQDQSXMTBZSOG-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1ccc2nccn2c1)C1(C)COC1 ZINC001143028026 961869667 /nfs/dbraw/zinc/86/96/67/961869667.db2.gz VGQDQSXMTBZSOG-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO c1cn2cc(CN3C[C@@H]4C[C@H]3CO4)ccc2[nH+]1 ZINC001143029175 961870831 /nfs/dbraw/zinc/87/08/31/961870831.db2.gz QXDZYZYMZUGCGF-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO c1cn2cc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)ccc2n1 ZINC001143029175 961870838 /nfs/dbraw/zinc/87/08/38/961870838.db2.gz QXDZYZYMZUGCGF-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO c1cn2cc(C[N@H+]3C[C@@H]4C[C@H]3CO4)ccc2n1 ZINC001143029175 961870843 /nfs/dbraw/zinc/87/08/43/961870843.db2.gz QXDZYZYMZUGCGF-RYUDHWBXSA-N 1 2 229.283 1.307 20 0 BDADLO Cc1ccc(CN2CCCC(=O)C2)c(N)[nH+]1 ZINC001143208202 961940352 /nfs/dbraw/zinc/94/03/52/961940352.db2.gz DDCRBKUBFAMUQV-UHFFFAOYSA-N 1 2 219.288 1.137 20 0 BDADLO Cc1ccc(CN2CCC(=O)[C@H](F)C2)c(N)[nH+]1 ZINC001143208256 961944379 /nfs/dbraw/zinc/94/43/79/961944379.db2.gz DWYFUYUYSDEZMB-SNVBAGLBSA-N 1 2 237.278 1.085 20 0 BDADLO c1c2cccnc2[nH]c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001143211843 961949878 /nfs/dbraw/zinc/94/98/78/961949878.db2.gz ILYRNQGOUVVXDR-BETUJISGSA-N 1 2 243.310 1.926 20 0 BDADLO c1c2cccnc2[nH]c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001143211843 961949881 /nfs/dbraw/zinc/94/98/81/961949881.db2.gz ILYRNQGOUVVXDR-BETUJISGSA-N 1 2 243.310 1.926 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2cccnc2[nH]1 ZINC001143211592 961954648 /nfs/dbraw/zinc/95/46/48/961954648.db2.gz GPTMJVCFEPEZRE-JQWIXIFHSA-N 1 2 249.289 1.468 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143211592 961954658 /nfs/dbraw/zinc/95/46/58/961954658.db2.gz GPTMJVCFEPEZRE-JQWIXIFHSA-N 1 2 249.289 1.468 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)CC(=O)N3C)C1 ZINC001225418596 962135599 /nfs/dbraw/zinc/13/55/99/962135599.db2.gz CKXYDKSZXRNRSQ-UHFFFAOYSA-N 1 2 246.310 1.288 20 0 BDADLO Cc1cc2cc(C(=O)NC3C[NH+](C)C3)ccc2o1 ZINC001150747675 962204011 /nfs/dbraw/zinc/20/40/11/962204011.db2.gz NDYPDUPMGSGPNJ-UHFFFAOYSA-N 1 2 244.294 1.785 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C2CC2)C1 ZINC001151206682 962255041 /nfs/dbraw/zinc/25/50/41/962255041.db2.gz NQIFMMUOOSEUQI-LLVKDONJSA-N 1 2 233.315 1.519 20 0 BDADLO Cc1sccc1NC(=O)Cn1cc[nH+]c1 ZINC001151426280 962283501 /nfs/dbraw/zinc/28/35/01/962283501.db2.gz XVOJBGMJZCNXAO-UHFFFAOYSA-N 1 2 221.285 1.892 20 0 BDADLO CCC(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC000238209485 962388883 /nfs/dbraw/zinc/38/88/83/962388883.db2.gz UAPJLQNRPNUQNL-UHFFFAOYSA-N 1 2 218.300 1.397 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cnc2sccn12 ZINC001152213057 962395206 /nfs/dbraw/zinc/39/52/06/962395206.db2.gz JTYCXIOJAFYUQX-UHFFFAOYSA-N 1 2 247.283 1.049 20 0 BDADLO O=C(c1c[nH]c2cc[nH+]cc12)N1CCCC1 ZINC001152969491 962510892 /nfs/dbraw/zinc/51/08/92/962510892.db2.gz SMJYEQAFMLDREX-UHFFFAOYSA-N 1 2 215.256 1.799 20 0 BDADLO CC1(CC(=O)NC[C@@H]2CC[N@@H+]2CCF)CC1 ZINC001269266520 962572538 /nfs/dbraw/zinc/57/25/38/962572538.db2.gz DLQDUMMPCFDILE-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO CC1(CC(=O)NC[C@@H]2CC[N@H+]2CCF)CC1 ZINC001269266520 962572556 /nfs/dbraw/zinc/57/25/56/962572556.db2.gz DLQDUMMPCFDILE-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924947331 962583866 /nfs/dbraw/zinc/58/38/66/962583866.db2.gz CAIUJAKHNJOPSF-WPRPVWTQSA-N 1 2 248.334 1.269 20 0 BDADLO C/C=C(\C)C(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001498955137 962663559 /nfs/dbraw/zinc/66/35/59/962663559.db2.gz KYIPNNIWGTVGMO-OTVCUZDGSA-N 1 2 214.284 1.113 20 0 BDADLO C/C=C(\C)C(=O)NC[C@H]1CC[N@H+]1CCF ZINC001498955137 962663568 /nfs/dbraw/zinc/66/35/68/962663568.db2.gz KYIPNNIWGTVGMO-OTVCUZDGSA-N 1 2 214.284 1.113 20 0 BDADLO O=C1SCC[C@@H]1Nc1c[nH+]c2c(c1)CCCN2 ZINC001167954003 962743897 /nfs/dbraw/zinc/74/38/97/962743897.db2.gz CXIMDTHFMKXPPZ-JTQLQIEISA-N 1 2 249.339 1.171 20 0 BDADLO CC(C)OCC[NH+]1CC(N(C)C(=O)C(C)C)C1 ZINC001269751251 962785897 /nfs/dbraw/zinc/78/58/97/962785897.db2.gz NBFSGNODRSXSNJ-UHFFFAOYSA-N 1 2 242.363 1.210 20 0 BDADLO O=C(NCC1CC(=O)C1)c1cccc2[nH+]ccn21 ZINC001154525836 962795074 /nfs/dbraw/zinc/79/50/74/962795074.db2.gz AEQJQWPDFFOQRD-UHFFFAOYSA-N 1 2 243.266 1.043 20 0 BDADLO CSCc1ccc(NCCn2ccnn2)[nH+]c1 ZINC001154623026 962815219 /nfs/dbraw/zinc/81/52/19/962815219.db2.gz XQFKUIQJMGVETD-UHFFFAOYSA-N 1 2 249.343 1.648 20 0 BDADLO Nc1[nH+]c(NCCn2ccnn2)ccc1Cl ZINC001154622066 962817571 /nfs/dbraw/zinc/81/75/71/962817571.db2.gz FEHGCUODEMKXBK-UHFFFAOYSA-N 1 2 238.682 1.021 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C2CC2)on1 ZINC001270180582 962890888 /nfs/dbraw/zinc/89/08/88/962890888.db2.gz ITVWBGDCBGHDKQ-AOOOYVTPSA-N 1 2 247.298 1.081 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C2CC2)on1 ZINC001270180582 962890891 /nfs/dbraw/zinc/89/08/91/962890891.db2.gz ITVWBGDCBGHDKQ-AOOOYVTPSA-N 1 2 247.298 1.081 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(F)(F)[C@H](F)C1 ZINC001204383560 962908866 /nfs/dbraw/zinc/90/88/66/962908866.db2.gz IPUIEGFOBSSJEN-SECBINFHSA-N 1 2 233.237 1.599 20 0 BDADLO COc1c[nH+]c(NC[C@@H]2CCNC(=O)C2)c(C)c1 ZINC001154933461 962913571 /nfs/dbraw/zinc/91/35/71/962913571.db2.gz IUYRTISWPHQWBG-SNVBAGLBSA-N 1 2 249.314 1.337 20 0 BDADLO CC(C)c1ccc(NC2(C(N)=O)CC2)[nH+]c1 ZINC001155089502 962969688 /nfs/dbraw/zinc/96/96/88/962969688.db2.gz IODSPWCEHZRPIN-UHFFFAOYSA-N 1 2 219.288 1.635 20 0 BDADLO OCc1ncccc1Nc1ccn2cc[nH+]c2c1 ZINC001204965654 962985751 /nfs/dbraw/zinc/98/57/51/962985751.db2.gz FOHJEMILHFNXNL-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO COc1cc(NC(=[NH2+])C(C)(C)C)nc(OC)n1 ZINC001155181467 963007729 /nfs/dbraw/zinc/00/77/29/963007729.db2.gz QTCZUVSWBGVTPK-UHFFFAOYSA-N 1 2 238.291 1.929 20 0 BDADLO Cc1ccncc1C[NH2+][C@H](C)c1nncn1C ZINC000135442937 963117004 /nfs/dbraw/zinc/11/70/04/963117004.db2.gz MSGSFCKUNVOGQX-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO COc1c[nH+]c(NCc2nonc2C)c(C)c1 ZINC001156085392 963254241 /nfs/dbraw/zinc/25/42/41/963254241.db2.gz KAJZLERAPJYBKJ-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO CSc1cc[nH+]c(NC[C@@H]2CCC(=O)N2)c1 ZINC001156151943 963267536 /nfs/dbraw/zinc/26/75/36/963267536.db2.gz YIUFZOLJNQQTOG-QMMMGPOBSA-N 1 2 237.328 1.494 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@@H]1CCC(=O)N1 ZINC001156151348 963270102 /nfs/dbraw/zinc/27/01/02/963270102.db2.gz LPFGFPPHSNXITH-VIFPVBQESA-N 1 2 235.287 1.089 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1CCC(=O)N(C)C1 ZINC001156568007 963386705 /nfs/dbraw/zinc/38/67/05/963386705.db2.gz NWPGUGPYYIVFIZ-JTQLQIEISA-N 1 2 249.314 1.431 20 0 BDADLO COc1nc(C)cc(NCc2cc[nH+]c(N)c2)n1 ZINC001156757062 963453156 /nfs/dbraw/zinc/45/31/56/963453156.db2.gz JOPLNLINKQWMBK-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO Nc1cc(CNc2cc(C3CC3)ncn2)cc[nH+]1 ZINC001156761852 963453288 /nfs/dbraw/zinc/45/32/88/963453288.db2.gz ZLEINNPRFRUDFD-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO CCc1cnc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156755950 963454522 /nfs/dbraw/zinc/45/45/22/963454522.db2.gz KXGOAYDLELVGJG-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO CCOc1nccnc1NCc1cc[nH+]c(N)c1 ZINC001156760034 963455065 /nfs/dbraw/zinc/45/50/65/963455065.db2.gz ANMMYMULRGHWBV-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO Cc1nc(-c2ccncc2)nc(NC=[NH2+])c1C ZINC001157079981 963525111 /nfs/dbraw/zinc/52/51/11/963525111.db2.gz LNRZXAILCUNBAJ-UHFFFAOYSA-N 1 2 227.271 1.596 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2C(C)C)[nH+]c1C ZINC000896914268 963526711 /nfs/dbraw/zinc/52/67/11/963526711.db2.gz WUIYQGJWQPMFNZ-WDEREUQCSA-N 1 2 235.331 1.935 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@H]2CC2(F)F)[nH+]1 ZINC001157125612 963536136 /nfs/dbraw/zinc/53/61/36/963536136.db2.gz WYCHNPCEAZGBJE-MRVPVSSYSA-N 1 2 243.257 1.805 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@H]2CC2(F)F)c[nH+]1 ZINC001157125612 963536141 /nfs/dbraw/zinc/53/61/41/963536141.db2.gz WYCHNPCEAZGBJE-MRVPVSSYSA-N 1 2 243.257 1.805 20 0 BDADLO Cc1nc(NC[C@H]2C[C@@](C)(O)C2)c2c([nH+]1)CCC2 ZINC001157558836 963661577 /nfs/dbraw/zinc/66/15/77/963661577.db2.gz NSSWKVFUZLWJGX-WJONMLJTSA-N 1 2 247.342 1.847 20 0 BDADLO C1=C(Nc2ccc[nH+]c2N2CCOCC2)COC1 ZINC001203379982 963747777 /nfs/dbraw/zinc/74/77/77/963747777.db2.gz MTQMPNDKSAGDLJ-UHFFFAOYSA-N 1 2 247.298 1.244 20 0 BDADLO COc1cc(C)c[nH+]c1NCCn1cnnc1 ZINC001158039739 963797030 /nfs/dbraw/zinc/79/70/30/963797030.db2.gz QAVXGSUYRKKERD-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BDADLO Cc1nc(N[C@H](C)CCNC(=O)C2CC2)cc[nH+]1 ZINC001098739045 963798214 /nfs/dbraw/zinc/79/82/14/963798214.db2.gz FTVXBORWLCKHMQ-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO CCCNc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001168132911 963823314 /nfs/dbraw/zinc/82/33/14/963823314.db2.gz QJMZWZQCKSOHNB-UHFFFAOYSA-N 1 2 222.292 1.881 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H](O)C2)c2c([nH+]1)CCC2 ZINC001158370959 963857733 /nfs/dbraw/zinc/85/77/33/963857733.db2.gz NJHZDMNKNGNTHA-WDEREUQCSA-N 1 2 247.342 1.989 20 0 BDADLO Cn1c[nH+]cc1CN1Cc2ncsc2C1 ZINC001204385242 963882238 /nfs/dbraw/zinc/88/22/38/963882238.db2.gz FJVJNVUNHCYJGL-UHFFFAOYSA-N 1 2 220.301 1.392 20 0 BDADLO Cc1cc(-c2noc([C@H]([NH3+])[C@@H](C)O)n2)cnc1C ZINC001204828958 963888135 /nfs/dbraw/zinc/88/81/35/963888135.db2.gz YPQRRPSFMIPKFT-PSASIEDQSA-N 1 2 248.286 1.129 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C2CC2)nn1 ZINC001158706628 963905797 /nfs/dbraw/zinc/90/57/97/963905797.db2.gz CDRDVAAXQQAJLC-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccc(C2CC2)nn1 ZINC001158706628 963905802 /nfs/dbraw/zinc/90/58/02/963905802.db2.gz CDRDVAAXQQAJLC-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO Cc1c[nH+]c(Nc2cc(=O)n(C)c(=O)[nH]2)cc1C ZINC001159013441 963971985 /nfs/dbraw/zinc/97/19/85/963971985.db2.gz YKPAAWJJGNBWMK-UHFFFAOYSA-N 1 2 246.270 1.241 20 0 BDADLO C/C=C\C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000211381015 964000264 /nfs/dbraw/zinc/00/02/64/964000264.db2.gz ILHMBAHULPRVIZ-IHWYPQMZSA-N 1 2 245.326 1.302 20 0 BDADLO Cc1cc2c(cn1)CN(Cc1c[nH+]cn1C)C2 ZINC001204387812 964006252 /nfs/dbraw/zinc/00/62/52/964006252.db2.gz ZELHAPVASUYCQL-UHFFFAOYSA-N 1 2 228.299 1.639 20 0 BDADLO Cc1cncc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095429 964252797 /nfs/dbraw/zinc/25/27/97/964252797.db2.gz HQVFPAPNFGYSEI-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C1=COCC1 ZINC001142549930 964390950 /nfs/dbraw/zinc/39/09/50/964390950.db2.gz AKLCOJSASQFLAH-UHFFFAOYSA-N 1 2 229.239 1.577 20 0 BDADLO CCc1ccnc(NCCCn2cc[nH+]c2)n1 ZINC001161682819 964684713 /nfs/dbraw/zinc/68/47/13/964684713.db2.gz ZQXHVQILRTWRNG-UHFFFAOYSA-N 1 2 231.303 1.738 20 0 BDADLO Nc1c(Br)ccc2[nH+]ccn21 ZINC001161700510 964700138 /nfs/dbraw/zinc/70/01/38/964700138.db2.gz GTPAKZNMNHFRMA-UHFFFAOYSA-N 1 2 212.050 1.679 20 0 BDADLO Cn1nccc1CNc1ccn2cc[nH+]c2c1 ZINC001161872024 964803620 /nfs/dbraw/zinc/80/36/20/964803620.db2.gz GQHKHKYQMNMXTA-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO Cc1cc(NCCn2ccnn2)[nH+]c2cc[nH]c21 ZINC001161931830 964824243 /nfs/dbraw/zinc/82/42/43/964824243.db2.gz KZHLHZMXRDWOQG-UHFFFAOYSA-N 1 2 242.286 1.575 20 0 BDADLO Fc1c[nH]c2nc[nH+]c(NCc3ncon3)c12 ZINC001162277125 964903659 /nfs/dbraw/zinc/90/36/59/964903659.db2.gz QHMYNQAMLIYLNJ-UHFFFAOYSA-N 1 2 234.194 1.092 20 0 BDADLO CNc1ccc(NCc2ncon2)c[nH+]1 ZINC001162282686 964910149 /nfs/dbraw/zinc/91/01/49/964910149.db2.gz NJIHMJOCKTYUFK-UHFFFAOYSA-N 1 2 205.221 1.118 20 0 BDADLO CC(C)Oc1cc(NCc2ncon2)cc[nH+]1 ZINC001162282361 964911392 /nfs/dbraw/zinc/91/13/92/964911392.db2.gz BKRVYXQDLACYHV-UHFFFAOYSA-N 1 2 234.259 1.864 20 0 BDADLO CNc1ccc(N[C@@H](CO)CC(C)C)c[nH+]1 ZINC001162368761 964945552 /nfs/dbraw/zinc/94/55/52/964945552.db2.gz NPDGYVIPRCXTGR-LLVKDONJSA-N 1 2 223.320 1.942 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001231965723 965291724 /nfs/dbraw/zinc/29/17/24/965291724.db2.gz NDEKSOWJIAURDW-XDTLVQLUSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001231965723 965291733 /nfs/dbraw/zinc/29/17/33/965291733.db2.gz NDEKSOWJIAURDW-XDTLVQLUSA-N 1 2 236.290 1.880 20 0 BDADLO CCCC(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001483625832 965296486 /nfs/dbraw/zinc/29/64/86/965296486.db2.gz NKUOUJBHKGMCIJ-XICOKMJESA-N 1 2 230.739 1.730 20 0 BDADLO CCCC(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001483625832 965296498 /nfs/dbraw/zinc/29/64/98/965296498.db2.gz NKUOUJBHKGMCIJ-XICOKMJESA-N 1 2 230.739 1.730 20 0 BDADLO C[N@@H+](Cc1nc2ccccn2n1)CC1CC1 ZINC001233069027 965474678 /nfs/dbraw/zinc/47/46/78/965474678.db2.gz PECLYVHYIACXFN-UHFFFAOYSA-N 1 2 216.288 1.571 20 0 BDADLO C[N@H+](Cc1nc2ccccn2n1)CC1CC1 ZINC001233069027 965474684 /nfs/dbraw/zinc/47/46/84/965474684.db2.gz PECLYVHYIACXFN-UHFFFAOYSA-N 1 2 216.288 1.571 20 0 BDADLO O=C1NC(=O)[C@H](Nc2c[nH+]cc3cc[nH]c32)S1 ZINC001163667422 965500008 /nfs/dbraw/zinc/50/00/08/965500008.db2.gz SWTSXPXFYZEPJA-SECBINFHSA-N 1 2 248.267 1.284 20 0 BDADLO CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001089189918 965508016 /nfs/dbraw/zinc/50/80/16/965508016.db2.gz GHCFYKOJCMTJIQ-RKDXNWHRSA-N 1 2 236.319 1.500 20 0 BDADLO Cc1cc(N2CC3(CC(O)C3)C2)nc(C(C)C)[nH+]1 ZINC001163740735 965560008 /nfs/dbraw/zinc/56/00/08/965560008.db2.gz FPCHCZKCGOCHQU-UHFFFAOYSA-N 1 2 247.342 1.870 20 0 BDADLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233923331 965616302 /nfs/dbraw/zinc/61/63/02/965616302.db2.gz AYYNQKCJZKAOFZ-RYUDHWBXSA-N 1 2 244.354 1.925 20 0 BDADLO CC[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233923331 965616316 /nfs/dbraw/zinc/61/63/16/965616316.db2.gz AYYNQKCJZKAOFZ-RYUDHWBXSA-N 1 2 244.354 1.925 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1)n1cc[nH+]c1 ZINC001163878093 965617128 /nfs/dbraw/zinc/61/71/28/965617128.db2.gz RZFKWPIDDWKWFI-DDHJBXDOSA-N 1 2 249.314 1.128 20 0 BDADLO CCNC(=O)CN(C)c1cc(SC)cc[nH+]1 ZINC001163914451 965625260 /nfs/dbraw/zinc/62/52/60/965625260.db2.gz UJXOXZKJNUJSJM-UHFFFAOYSA-N 1 2 239.344 1.376 20 0 BDADLO CCCc1cc(N2CC[C@@H](CO)[C@H]2C)nc(C)[nH+]1 ZINC001164056355 965720985 /nfs/dbraw/zinc/72/09/85/965720985.db2.gz OOTYATPUDZTFRO-PWSUYJOCSA-N 1 2 249.358 1.945 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@@H](O)[C@@H](F)C1 ZINC001164113149 965738655 /nfs/dbraw/zinc/73/86/55/965738655.db2.gz SLJYALBLGGUGGV-DTWKUNHWSA-N 1 2 214.215 1.048 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@@](C)(CO)C1 ZINC001164143295 965755405 /nfs/dbraw/zinc/75/54/05/965755405.db2.gz KKNYQORDHCPPLD-CYBMUJFWSA-N 1 2 236.315 1.607 20 0 BDADLO C[C@H]1C[C@@H](CO)N(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001164154515 965763849 /nfs/dbraw/zinc/76/38/49/965763849.db2.gz KIKCLBNZOUSQOE-YUMQZZPRSA-N 1 2 241.722 1.524 20 0 BDADLO CCc1cc(N2[C@@H](C)CC[C@H]2CO)nc(C)[nH+]1 ZINC001164308033 965837676 /nfs/dbraw/zinc/83/76/76/965837676.db2.gz PXZWXJOQHYKWNY-CABZTGNLSA-N 1 2 235.331 1.697 20 0 BDADLO C[C@@]1(F)CCN(c2cc(N)nc[nH+]2)C[C@H]1F ZINC001164340634 965850376 /nfs/dbraw/zinc/85/03/76/965850376.db2.gz ZMBYGCXCDAXHFG-GMSGAONNSA-N 1 2 228.246 1.335 20 0 BDADLO O=c1[nH][nH]cc1CCCNc1cccc[nH+]1 ZINC001164366562 965862559 /nfs/dbraw/zinc/86/25/59/965862559.db2.gz OHVIDJMABFCHFP-VIFPVBQESA-N 1 2 218.260 1.006 20 0 BDADLO CCc1cc(C[N@@H+]2CC[C@]23CCOC3)on1 ZINC001203227883 966146515 /nfs/dbraw/zinc/14/65/15/966146515.db2.gz KEUMJWFSTUVXAU-GFCCVEGCSA-N 1 2 222.288 1.602 20 0 BDADLO CCc1cc(C[N@H+]2CC[C@]23CCOC3)on1 ZINC001203227883 966146524 /nfs/dbraw/zinc/14/65/24/966146524.db2.gz KEUMJWFSTUVXAU-GFCCVEGCSA-N 1 2 222.288 1.602 20 0 BDADLO CNc1ccc(NC(C)(C)COC)c[nH+]1 ZINC001166003112 966234776 /nfs/dbraw/zinc/23/47/76/966234776.db2.gz WCXJVNLPVSEHAW-UHFFFAOYSA-N 1 2 209.293 1.960 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]1C1CC1 ZINC001123799012 966264981 /nfs/dbraw/zinc/26/49/81/966264981.db2.gz RLPNDHCDTJWSHC-NSHDSACASA-N 1 2 233.315 1.364 20 0 BDADLO CCN(CCC(N)=O)c1[nH+]cc(C)cc1OC ZINC001166588228 966308704 /nfs/dbraw/zinc/30/87/04/966308704.db2.gz AMTXHOFDEFOJHT-UHFFFAOYSA-N 1 2 237.303 1.100 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1C=CCCC1 ZINC001124011760 966349583 /nfs/dbraw/zinc/34/95/83/966349583.db2.gz WGGZNJXWRYFPRO-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC(N(C)C(C)=O)C1 ZINC001166733914 966384851 /nfs/dbraw/zinc/38/48/51/966384851.db2.gz PBCNDEMNIZEXFV-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO CCCc1cc(N2C[C@@H]3C[C@H]2CO3)nc(C)[nH+]1 ZINC001166756499 966395913 /nfs/dbraw/zinc/39/59/13/966395913.db2.gz LFCFFWZWLGCGFX-RYUDHWBXSA-N 1 2 233.315 1.715 20 0 BDADLO Nc1cc(N2CCC[C@@H](C(F)F)C2)[nH+]cn1 ZINC001166775025 966404184 /nfs/dbraw/zinc/40/41/84/966404184.db2.gz SXUQGSIHYNJJFG-SSDOTTSWSA-N 1 2 228.246 1.540 20 0 BDADLO CCc1cn(CC(=O)c2nccs2)c[nH+]1 ZINC001166821678 966422434 /nfs/dbraw/zinc/42/24/34/966422434.db2.gz DFQFPYFDUPWOPV-UHFFFAOYSA-N 1 2 221.285 1.785 20 0 BDADLO Nc1[nH+]c(N2CC3(CCO3)C2)ccc1Cl ZINC001166942140 966437788 /nfs/dbraw/zinc/43/77/88/966437788.db2.gz CHTAGHYLYPUEID-UHFFFAOYSA-N 1 2 225.679 1.296 20 0 BDADLO COc1cc(C)c[nH+]c1N1CCC(=O)C[C@@H]1C ZINC001166934985 966450057 /nfs/dbraw/zinc/45/00/57/966450057.db2.gz UJCFYEBUXXYVOF-JTQLQIEISA-N 1 2 234.299 1.956 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC2(CCO2)C1 ZINC001166942433 966464401 /nfs/dbraw/zinc/46/44/01/966464401.db2.gz TVYPJNIMDPKQLG-UHFFFAOYSA-N 1 2 220.272 1.378 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)o1 ZINC001236589881 966473575 /nfs/dbraw/zinc/47/35/75/966473575.db2.gz SGOWDRDUBDVJCI-NWDGAFQWSA-N 1 2 242.294 1.586 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)o1 ZINC001236589881 966473580 /nfs/dbraw/zinc/47/35/80/966473580.db2.gz SGOWDRDUBDVJCI-NWDGAFQWSA-N 1 2 242.294 1.586 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)o1 ZINC001236588763 966474293 /nfs/dbraw/zinc/47/42/93/966474293.db2.gz BIGRCAFGCNWNIK-QWRGUYRKSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)o1 ZINC001236588763 966474298 /nfs/dbraw/zinc/47/42/98/966474298.db2.gz BIGRCAFGCNWNIK-QWRGUYRKSA-N 1 2 242.294 1.444 20 0 BDADLO CCc1nc(N2CCC(=O)C(C)(C)C2)cc[nH+]1 ZINC001166976352 966494620 /nfs/dbraw/zinc/49/46/20/966494620.db2.gz TZYINVDOZFNFQN-UHFFFAOYSA-N 1 2 233.315 1.844 20 0 BDADLO c1nc2ccccn2c1C[N@@H+]1CCOC2(CC2)C1 ZINC001203158771 966536573 /nfs/dbraw/zinc/53/65/73/966536573.db2.gz FSMODRSOEYJKFI-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1nc2ccccn2c1C[N@H+]1CCOC2(CC2)C1 ZINC001203158771 966536590 /nfs/dbraw/zinc/53/65/90/966536590.db2.gz FSMODRSOEYJKFI-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2ccccn2)n1 ZINC001203161782 966537325 /nfs/dbraw/zinc/53/73/25/966537325.db2.gz NAUMLULOFOBSCY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2ccccn2)n1 ZINC001203161782 966537332 /nfs/dbraw/zinc/53/73/32/966537332.db2.gz NAUMLULOFOBSCY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cccn1C ZINC001203257290 966586465 /nfs/dbraw/zinc/58/64/65/966586465.db2.gz ICYMEWFPVUDFBC-RISCZKNCSA-N 1 2 248.326 1.553 20 0 BDADLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cccn1C ZINC001203257290 966586477 /nfs/dbraw/zinc/58/64/77/966586477.db2.gz ICYMEWFPVUDFBC-RISCZKNCSA-N 1 2 248.326 1.553 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1ccncn1 ZINC001203284921 966601203 /nfs/dbraw/zinc/60/12/03/966601203.db2.gz SHOPHOFKSCFMNL-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1ccncn1 ZINC001203284921 966601218 /nfs/dbraw/zinc/60/12/18/966601218.db2.gz SHOPHOFKSCFMNL-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO CNc1ccc(Nc2cnns2)c[nH+]1 ZINC001203449614 966657838 /nfs/dbraw/zinc/65/78/38/966657838.db2.gz LBPRPKNFEIHQLT-UHFFFAOYSA-N 1 2 207.262 1.718 20 0 BDADLO CCc1[nH]ncc1CN1CC[NH+](C(C)C)CC1 ZINC001237648966 966684090 /nfs/dbraw/zinc/68/40/90/966684090.db2.gz GVJRKOAKGUDIQG-UHFFFAOYSA-N 1 2 236.363 1.498 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnc(C(N)=O)nc2)c1 ZINC001203657614 966728636 /nfs/dbraw/zinc/72/86/36/966728636.db2.gz RRTZUJQPRWITNX-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO COC(=O)C1C[NH+](Cc2cccc(Cl)c2)C1 ZINC001203797686 966786025 /nfs/dbraw/zinc/78/60/25/966786025.db2.gz NQVLVQUHYDPXKI-UHFFFAOYSA-N 1 2 239.702 1.945 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1OC ZINC001203838093 966791729 /nfs/dbraw/zinc/79/17/29/966791729.db2.gz MLJDOBOPWHJNHH-RYUDHWBXSA-N 1 2 249.310 1.677 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1OC ZINC001203838093 966791749 /nfs/dbraw/zinc/79/17/49/966791749.db2.gz MLJDOBOPWHJNHH-RYUDHWBXSA-N 1 2 249.310 1.677 20 0 BDADLO CCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127810857 966810233 /nfs/dbraw/zinc/81/02/33/966810233.db2.gz OKIZPOLPWRWOPZ-ZCFIWIBFSA-N 1 2 230.205 1.003 20 0 BDADLO CCC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127810857 966810237 /nfs/dbraw/zinc/81/02/37/966810237.db2.gz OKIZPOLPWRWOPZ-ZCFIWIBFSA-N 1 2 230.205 1.003 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@]3(CCO3)C2)n1 ZINC001203983908 966833105 /nfs/dbraw/zinc/83/31/05/966833105.db2.gz RPEGQAXNVBKDNL-NSHDSACASA-N 1 2 207.277 1.165 20 0 BDADLO C[N@H+](Cc1ccc[nH]1)Cc1ccncn1 ZINC001204010739 966848051 /nfs/dbraw/zinc/84/80/51/966848051.db2.gz OCERZZSKZXGGFE-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO Cc1cccc(C[N@@H+]2CCc3ncn(C)c3C2)n1 ZINC001204070771 966878603 /nfs/dbraw/zinc/87/86/03/966878603.db2.gz OVPWXIYXDSLDJO-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc(C[N@H+]2CCc3ncn(C)c3C2)n1 ZINC001204070771 966878609 /nfs/dbraw/zinc/87/86/09/966878609.db2.gz OVPWXIYXDSLDJO-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccncc3)[C@H]2C1 ZINC001204080657 966885213 /nfs/dbraw/zinc/88/52/13/966885213.db2.gz SYKCMDCJERHYIF-MELADBBJSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccncc3)[C@H]2C1 ZINC001204080657 966885218 /nfs/dbraw/zinc/88/52/18/966885218.db2.gz SYKCMDCJERHYIF-MELADBBJSA-N 1 2 248.326 1.053 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccncc2)C[C@@H]1C ZINC001204081878 966886803 /nfs/dbraw/zinc/88/68/03/966886803.db2.gz QVBJGPBGEVVIRQ-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccncc2)C[C@@H]1C ZINC001204081878 966886807 /nfs/dbraw/zinc/88/68/07/966886807.db2.gz QVBJGPBGEVVIRQ-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2ccc(O)cc2)C1 ZINC001204093289 966890202 /nfs/dbraw/zinc/89/02/02/966890202.db2.gz BAYKBOKBSQVNFC-UHFFFAOYSA-N 1 2 234.299 1.055 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(C2=CCOC2)cc1 ZINC001239489727 966913192 /nfs/dbraw/zinc/91/31/92/966913192.db2.gz JJUMNCBEWXUOBV-GFCCVEGCSA-N 1 2 233.267 1.273 20 0 BDADLO O=C1C[N@H+](Cc2ccoc2)CC2(CCCC2)N1 ZINC001204244592 966940816 /nfs/dbraw/zinc/94/08/16/966940816.db2.gz MJULPQMDNRENQE-UHFFFAOYSA-N 1 2 234.299 1.524 20 0 BDADLO O=C1C[N@@H+](Cc2ccoc2)CC2(CCCC2)N1 ZINC001204244592 966940822 /nfs/dbraw/zinc/94/08/22/966940822.db2.gz MJULPQMDNRENQE-UHFFFAOYSA-N 1 2 234.299 1.524 20 0 BDADLO Cc1c(F)cccc1C[NH+]1CCOCC1 ZINC001204507202 967014103 /nfs/dbraw/zinc/01/41/03/967014103.db2.gz UXSHXKRAGVGISY-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO Nc1cc[nH]c(=O)c1Nc1ccc[nH+]c1N ZINC001212395148 967024440 /nfs/dbraw/zinc/02/44/40/967024440.db2.gz HKJRBWSZQWDNTP-UHFFFAOYSA-N 1 2 217.232 1.090 20 0 BDADLO Cc1cc(C[NH+]2CCN(C(N)=O)CC2)oc1C ZINC001204535801 967033501 /nfs/dbraw/zinc/03/35/01/967033501.db2.gz YNNZQIZOSVUXFX-UHFFFAOYSA-N 1 2 237.303 1.093 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(N)c(F)c1 ZINC001249755188 967044628 /nfs/dbraw/zinc/04/46/28/967044628.db2.gz NYWXTXJLLOYAHV-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO Cc1cc(-n2nc(C3CC3)cc2N)c[nH+]c1N ZINC001249779630 967053291 /nfs/dbraw/zinc/05/32/91/967053291.db2.gz XCIWIIIJCUSPJT-UHFFFAOYSA-N 1 2 229.287 1.618 20 0 BDADLO Cc1cc(-n2nnc3ccc(N)cc32)c[nH+]c1N ZINC001249787031 967064094 /nfs/dbraw/zinc/06/40/94/967064094.db2.gz DPXCFXFVTIIXAP-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001204593336 967089293 /nfs/dbraw/zinc/08/92/93/967089293.db2.gz WJWWSHTWQGQBSM-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001204593336 967089302 /nfs/dbraw/zinc/08/93/02/967089302.db2.gz WJWWSHTWQGQBSM-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO O[C@@H]1C[N@H+](Cc2nc3ccccc3[nH]2)CC[C@H]1F ZINC001204751391 967144971 /nfs/dbraw/zinc/14/49/71/967144971.db2.gz ILMHTQGPQLJFNB-BXKDBHETSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CC[C@H]1F ZINC001204751391 967144982 /nfs/dbraw/zinc/14/49/82/967144982.db2.gz ILMHTQGPQLJFNB-BXKDBHETSA-N 1 2 249.289 1.468 20 0 BDADLO CCOC(=O)C(=O)Cc1ccc2[nH+]ccn2c1 ZINC001249912672 967149055 /nfs/dbraw/zinc/14/90/55/967149055.db2.gz OFPWZQFBKCTGSQ-UHFFFAOYSA-N 1 2 232.239 1.009 20 0 BDADLO CCOCCc1ccc[nH+]c1N1CCOCC1 ZINC001249943138 967183969 /nfs/dbraw/zinc/18/39/69/967183969.db2.gz UZSBQSXKMDUTRD-UHFFFAOYSA-N 1 2 236.315 1.497 20 0 BDADLO COc1nccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204959384 967262287 /nfs/dbraw/zinc/26/22/87/967262287.db2.gz LVIAWADWTLLCRF-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Cn1cc(C[N@@H+]2CCCCC23COC3)cn1 ZINC001205002306 967285751 /nfs/dbraw/zinc/28/57/51/967285751.db2.gz GQOLFUATSRRYOZ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cc(C[N@H+]2CCCCC23COC3)cn1 ZINC001205002306 967285761 /nfs/dbraw/zinc/28/57/61/967285761.db2.gz GQOLFUATSRRYOZ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO CN1CCOc2cc(Cc3cccnc3)c[nH+]c21 ZINC001250169847 967469273 /nfs/dbraw/zinc/46/92/73/967469273.db2.gz HITZSAXXRHPCSE-UHFFFAOYSA-N 1 2 241.294 1.896 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cccnc1C ZINC001205338825 967551625 /nfs/dbraw/zinc/55/16/25/967551625.db2.gz UOIVZCQJLKHFSA-UHFFFAOYSA-N 1 2 246.270 1.335 20 0 BDADLO OCc1csc(C[N@@H+]2CCCSCC2)n1 ZINC001205348156 967572010 /nfs/dbraw/zinc/57/20/10/967572010.db2.gz XJNRMAYZMGZMNC-UHFFFAOYSA-N 1 2 244.385 1.574 20 0 BDADLO OCc1csc(C[N@H+]2CCCSCC2)n1 ZINC001205348156 967572017 /nfs/dbraw/zinc/57/20/17/967572017.db2.gz XJNRMAYZMGZMNC-UHFFFAOYSA-N 1 2 244.385 1.574 20 0 BDADLO Cc1cc(F)ncc1CC[NH+]1CCOCC1 ZINC001250276532 967599818 /nfs/dbraw/zinc/59/98/18/967599818.db2.gz GZHHSXDDEDNMBX-UHFFFAOYSA-N 1 2 224.279 1.404 20 0 BDADLO Cc1nc2ccc(CC[NH+]3CCOCC3)cc2[nH]1 ZINC001250277044 967608243 /nfs/dbraw/zinc/60/82/43/967608243.db2.gz XJTIMLDZGLOSBJ-UHFFFAOYSA-N 1 2 245.326 1.746 20 0 BDADLO Cc1nc2cc(CC[NH+]3CCOCC3)ccc2[nH]1 ZINC001250277044 967608253 /nfs/dbraw/zinc/60/82/53/967608253.db2.gz XJTIMLDZGLOSBJ-UHFFFAOYSA-N 1 2 245.326 1.746 20 0 BDADLO CCOc1cncc(CC[NH+]2CCOCC2)c1 ZINC001250278268 967613187 /nfs/dbraw/zinc/61/31/87/967613187.db2.gz YPYOEIGSNKWMQR-UHFFFAOYSA-N 1 2 236.315 1.355 20 0 BDADLO COc1cncc(CCn2cc[nH+]c2)c1 ZINC001250315269 967677988 /nfs/dbraw/zinc/67/79/88/967677988.db2.gz HMZQSWBWBLYPAF-UHFFFAOYSA-N 1 2 203.245 1.529 20 0 BDADLO c1cn(CCc2ccc3c(c2)OCO3)c[nH+]1 ZINC001250316226 967678829 /nfs/dbraw/zinc/67/88/29/967678829.db2.gz DSAOGHLFCHBYIS-UHFFFAOYSA-N 1 2 216.240 1.855 20 0 BDADLO OCc1cc(CCn2cc[nH+]c2)cs1 ZINC001250316343 967682753 /nfs/dbraw/zinc/68/27/53/967682753.db2.gz JXIXRWMDPYHBMC-UHFFFAOYSA-N 1 2 208.286 1.680 20 0 BDADLO c1cn(CCc2cnc(N3CCCC3)nc2)c[nH+]1 ZINC001250318472 967686038 /nfs/dbraw/zinc/68/60/38/967686038.db2.gz GFCMRBXFZDPTIT-UHFFFAOYSA-N 1 2 243.314 1.516 20 0 BDADLO OCc1cccc(CCn2cc[nH+]c2)c1 ZINC001250316590 967686736 /nfs/dbraw/zinc/68/67/36/967686736.db2.gz NRZMBBJUMYPLLO-UHFFFAOYSA-N 1 2 202.257 1.618 20 0 BDADLO CC(=O)c1cc(CCn2cc[nH+]c2)ccn1 ZINC001250319506 967694105 /nfs/dbraw/zinc/69/41/05/967694105.db2.gz SJPWAPFJNKSLLL-UHFFFAOYSA-N 1 2 215.256 1.723 20 0 BDADLO Nc1ncc(CCn2cc[nH+]c2)cc1F ZINC001250319314 967694476 /nfs/dbraw/zinc/69/44/76/967694476.db2.gz BVRRNOQSEMJHCS-UHFFFAOYSA-N 1 2 206.224 1.242 20 0 BDADLO COc1ccc(CCn2cc[nH+]c2)cc1N ZINC001250320491 967696304 /nfs/dbraw/zinc/69/63/04/967696304.db2.gz MQULAODKBHLNTO-UHFFFAOYSA-N 1 2 217.272 1.717 20 0 BDADLO c1cn(CCc2cccc3c2OCO3)c[nH+]1 ZINC001250319987 967696708 /nfs/dbraw/zinc/69/67/08/967696708.db2.gz WKZQWZWKCWTFIA-UHFFFAOYSA-N 1 2 216.240 1.855 20 0 BDADLO CNc1ccc(Nc2ncccc2O)c[nH+]1 ZINC001203448603 967716151 /nfs/dbraw/zinc/71/61/51/967716151.db2.gz BPVIOVANFZHIMW-UHFFFAOYSA-N 1 2 216.244 1.968 20 0 BDADLO Cc1nnc(Cc2ccc3[nH+]ccn3c2)o1 ZINC001250337066 967723128 /nfs/dbraw/zinc/72/31/28/967723128.db2.gz XMTDSCSWOZXQCW-UHFFFAOYSA-N 1 2 214.228 1.617 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cnoc1 ZINC001205703756 967788795 /nfs/dbraw/zinc/78/87/95/967788795.db2.gz JXIDLVFKTBZBQJ-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cnoc1 ZINC001205703756 967788798 /nfs/dbraw/zinc/78/87/98/967788798.db2.gz JXIDLVFKTBZBQJ-LLVKDONJSA-N 1 2 210.277 1.531 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C(C)C)n(C)n1 ZINC001205920133 967884894 /nfs/dbraw/zinc/88/48/94/967884894.db2.gz VITFOYLULNDVCN-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C(C)C)n(C)n1 ZINC001205920133 967884895 /nfs/dbraw/zinc/88/48/95/967884895.db2.gz VITFOYLULNDVCN-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1nc(C[NH+]2CC3(C2)CCOCC3)co1 ZINC001206068260 968032723 /nfs/dbraw/zinc/03/27/23/968032723.db2.gz RSZDFQFKOWBTOV-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO CCCN(CC)c1ccc(Cn2cncn2)c[nH+]1 ZINC001163603545 968085064 /nfs/dbraw/zinc/08/50/64/968085064.db2.gz YKCGQLZOYNGJBA-UHFFFAOYSA-N 1 2 245.330 1.958 20 0 BDADLO COCCc1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC001250594224 968125354 /nfs/dbraw/zinc/12/53/54/968125354.db2.gz BPKSKIFDKQQPMP-UHFFFAOYSA-N 1 2 220.228 1.481 20 0 BDADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CC=CC1 ZINC001163917013 968129509 /nfs/dbraw/zinc/12/95/09/968129509.db2.gz JJAIBAMNPPFJKA-UHFFFAOYSA-N 1 2 232.283 1.861 20 0 BDADLO COc1ccc(C)[nH+]c1N(C)Cc1ncccn1 ZINC001163924727 968137747 /nfs/dbraw/zinc/13/77/47/968137747.db2.gz JVUAZWBTWSXZCI-UHFFFAOYSA-N 1 2 244.298 1.825 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccco2)C1 ZINC001206222258 968151086 /nfs/dbraw/zinc/15/10/86/968151086.db2.gz NLJDSQJAARLJOO-SECBINFHSA-N 1 2 234.221 1.745 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccco2)C1 ZINC001206222258 968151094 /nfs/dbraw/zinc/15/10/94/968151094.db2.gz NLJDSQJAARLJOO-SECBINFHSA-N 1 2 234.221 1.745 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)c2ncnn21 ZINC001118628693 968192529 /nfs/dbraw/zinc/19/25/29/968192529.db2.gz NCELZWGTVCYQKI-MWLCHTKSSA-N 1 2 229.287 1.469 20 0 BDADLO COc1cccc([C@H](O)CNc2[nH+]c[nH]c2C)c1 ZINC001250702312 968199084 /nfs/dbraw/zinc/19/90/84/968199084.db2.gz MYFZZYGVEQTCSD-GFCCVEGCSA-N 1 2 247.298 1.872 20 0 BDADLO COc1cccc([C@H](O)C[N@H+](C)CC(C)=O)c1 ZINC001250705420 968199341 /nfs/dbraw/zinc/19/93/41/968199341.db2.gz OUXZBETYBBTOQQ-CYBMUJFWSA-N 1 2 237.299 1.249 20 0 BDADLO COc1cccc([C@H](O)C[N@@H+](C)CC(C)=O)c1 ZINC001250705420 968199347 /nfs/dbraw/zinc/19/93/47/968199347.db2.gz OUXZBETYBBTOQQ-CYBMUJFWSA-N 1 2 237.299 1.249 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nc(CO)cs2)nc1 ZINC000723193519 968210153 /nfs/dbraw/zinc/21/01/53/968210153.db2.gz XDZUGRXDAQAFRY-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccccc1N ZINC001206307803 968215455 /nfs/dbraw/zinc/21/54/55/968215455.db2.gz DGDDDFFXBCQCFV-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO O[C@@H](C[NH+]1CC(c2cccnc2)C1)C(F)(F)F ZINC001250977203 968233062 /nfs/dbraw/zinc/23/30/62/968233062.db2.gz WORBYKDYPQOJJM-JTQLQIEISA-N 1 2 246.232 1.404 20 0 BDADLO CCc1nccc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164493242 968236331 /nfs/dbraw/zinc/23/63/31/968236331.db2.gz RCYYFWWVGKSYPE-UHFFFAOYSA-N 1 2 242.273 1.084 20 0 BDADLO C[C@@H](C(=O)N1CCCO[C@@H](C)C1)n1cc[nH+]c1 ZINC001251539520 968290601 /nfs/dbraw/zinc/29/06/01/968290601.db2.gz PTNSNMVUZJLMGU-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO COc1cnccc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001206438294 968305454 /nfs/dbraw/zinc/30/54/54/968305454.db2.gz PIOMKKYAGZKTNT-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1cnccc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001206438294 968305448 /nfs/dbraw/zinc/30/54/48/968305448.db2.gz PIOMKKYAGZKTNT-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO CC(C)n1nccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001251736826 968308449 /nfs/dbraw/zinc/30/84/49/968308449.db2.gz CUXDPXXRJIOVQM-SNVBAGLBSA-N 1 2 247.302 1.860 20 0 BDADLO CC(C)n1nccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001251736825 968309287 /nfs/dbraw/zinc/30/92/87/968309287.db2.gz CUXDPXXRJIOVQM-JTQLQIEISA-N 1 2 247.302 1.860 20 0 BDADLO NC(=[NH+]OCC[C@H]1CCOC1)c1ccccc1 ZINC001119339464 968336682 /nfs/dbraw/zinc/33/66/82/968336682.db2.gz CULBBJIHFCZYFF-LLVKDONJSA-N 1 2 234.299 1.960 20 0 BDADLO COc1cnccc1C[N@@H+]1CCOCC12CC2 ZINC001206487733 968339676 /nfs/dbraw/zinc/33/96/76/968339676.db2.gz QOVJPUUOVDDTDT-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cnccc1C[N@H+]1CCOCC12CC2 ZINC001206487733 968339684 /nfs/dbraw/zinc/33/96/84/968339684.db2.gz QOVJPUUOVDDTDT-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cnccc1C[N@@H+]1CCC[C@H]1C(C)=O ZINC001206499975 968344121 /nfs/dbraw/zinc/34/41/21/968344121.db2.gz NXQQOLJRCCFVME-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO COc1cnccc1C[N@H+]1CCC[C@H]1C(C)=O ZINC001206499975 968344130 /nfs/dbraw/zinc/34/41/30/968344130.db2.gz NXQQOLJRCCFVME-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO C[C@H](O)CNc1cc(Cl)c2[nH+]ccn2c1 ZINC001251957149 968389357 /nfs/dbraw/zinc/38/93/57/968389357.db2.gz MMIXSYFNYUDCCK-ZETCQYMHSA-N 1 2 225.679 1.780 20 0 BDADLO C[C@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001251967633 968409000 /nfs/dbraw/zinc/40/90/00/968409000.db2.gz RIARLAGWFAZGSR-VIFPVBQESA-N 1 2 217.272 1.869 20 0 BDADLO COc1cccnc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001206619923 968424923 /nfs/dbraw/zinc/42/49/23/968424923.db2.gz LZCXOOYEXGIYKT-GARJFASQSA-N 1 2 236.290 1.880 20 0 BDADLO COc1cccnc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001206619923 968424928 /nfs/dbraw/zinc/42/49/28/968424928.db2.gz LZCXOOYEXGIYKT-GARJFASQSA-N 1 2 236.290 1.880 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1cccnc1 ZINC001119622736 968440376 /nfs/dbraw/zinc/44/03/76/968440376.db2.gz UJMDYLAXUBNOPG-ZJUUUORDSA-N 1 2 247.298 1.974 20 0 BDADLO OC[C@@H](O)C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001252062429 968478264 /nfs/dbraw/zinc/47/82/64/968478264.db2.gz LHDYXGSUQCRHPK-JTQLQIEISA-N 1 2 247.294 1.144 20 0 BDADLO OC[C@@H](O)C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001252062429 968478270 /nfs/dbraw/zinc/47/82/70/968478270.db2.gz LHDYXGSUQCRHPK-JTQLQIEISA-N 1 2 247.294 1.144 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2cc(C)on2)C1 ZINC001206822181 968493171 /nfs/dbraw/zinc/49/31/71/968493171.db2.gz NJWQYDRSIPWXEP-SECBINFHSA-N 1 2 210.277 1.450 20 0 BDADLO CC[NH2+]Cc1noc(CCCSC)n1 ZINC000401479494 968493288 /nfs/dbraw/zinc/49/32/88/968493288.db2.gz OUYZJGQBOIUEBJ-UHFFFAOYSA-N 1 2 215.322 1.475 20 0 BDADLO Cc1ncoc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000823660088 968552010 /nfs/dbraw/zinc/55/20/10/968552010.db2.gz ATRAHSIIKHWWMS-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO Cc1ncoc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000823660088 968552017 /nfs/dbraw/zinc/55/20/17/968552017.db2.gz ATRAHSIIKHWWMS-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO O=C1CC[C@]2(CCC[N@H+](Cc3ncccn3)C2)O1 ZINC001207018178 968554846 /nfs/dbraw/zinc/55/48/46/968554846.db2.gz XCIZDUZHGJEFGN-ZDUSSCGKSA-N 1 2 247.298 1.148 20 0 BDADLO O=C1CC[C@]2(CCC[N@@H+](Cc3ncccn3)C2)O1 ZINC001207018178 968554854 /nfs/dbraw/zinc/55/48/54/968554854.db2.gz XCIZDUZHGJEFGN-ZDUSSCGKSA-N 1 2 247.298 1.148 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1F ZINC001207036853 968571124 /nfs/dbraw/zinc/57/11/24/968571124.db2.gz CVECFQLFJCKIQD-GHMZBOCLSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1F ZINC001207036853 968571133 /nfs/dbraw/zinc/57/11/33/968571133.db2.gz CVECFQLFJCKIQD-GHMZBOCLSA-N 1 2 228.242 1.125 20 0 BDADLO CCCC[C@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC001252093830 968575281 /nfs/dbraw/zinc/57/52/81/968575281.db2.gz KOIKFTRNAMMLFC-LBPRGKRZSA-N 1 2 228.380 1.564 20 0 BDADLO CCCC[C@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC001252093830 968575293 /nfs/dbraw/zinc/57/52/93/968575293.db2.gz KOIKFTRNAMMLFC-LBPRGKRZSA-N 1 2 228.380 1.564 20 0 BDADLO O=c1cccc(C[N@@H+]2CCCCC23COC3)[nH]1 ZINC001207072339 968607401 /nfs/dbraw/zinc/60/74/01/968607401.db2.gz ZPWBOZGAMVZMAG-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO O=c1cccc(C[N@H+]2CCCCC23COC3)[nH]1 ZINC001207072339 968607427 /nfs/dbraw/zinc/60/74/27/968607427.db2.gz ZPWBOZGAMVZMAG-UHFFFAOYSA-N 1 2 234.299 1.542 20 0 BDADLO C[C@]1(CO)CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207092219 968627124 /nfs/dbraw/zinc/62/71/24/968627124.db2.gz BRLGXAYIFBHORS-LBPRGKRZSA-N 1 2 242.269 1.564 20 0 BDADLO C[C@]1(CO)CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207092219 968627129 /nfs/dbraw/zinc/62/71/29/968627129.db2.gz BRLGXAYIFBHORS-LBPRGKRZSA-N 1 2 242.269 1.564 20 0 BDADLO Cc1cc(C)n(CCCc2c[nH+]cn2C)c(=O)n1 ZINC000825131979 968634219 /nfs/dbraw/zinc/63/42/19/968634219.db2.gz GVGIBUNQVWRCSE-UHFFFAOYSA-N 1 2 246.314 1.226 20 0 BDADLO CC(C)(O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252356300 968634371 /nfs/dbraw/zinc/63/43/71/968634371.db2.gz XDMDBUMRKGSGGA-GFCCVEGCSA-N 1 2 236.315 1.226 20 0 BDADLO CC(C)(O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252356300 968634377 /nfs/dbraw/zinc/63/43/77/968634377.db2.gz XDMDBUMRKGSGGA-GFCCVEGCSA-N 1 2 236.315 1.226 20 0 BDADLO CCCCC[C@H]([NH2+]CC(C)(C)O)C(=O)OC ZINC001252371471 968651805 /nfs/dbraw/zinc/65/18/05/968651805.db2.gz QTWUNLLBKKNQCQ-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001207151132 968662949 /nfs/dbraw/zinc/66/29/49/968662949.db2.gz OZJBVPKBWOBHDS-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001207151132 968662954 /nfs/dbraw/zinc/66/29/54/968662954.db2.gz OZJBVPKBWOBHDS-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1nccc(C[N@@H+]2CCCCC23COC3)n1 ZINC001207166010 968676055 /nfs/dbraw/zinc/67/60/55/968676055.db2.gz UEPYYLUYYXANHW-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nccc(C[N@H+]2CCCCC23COC3)n1 ZINC001207166010 968676065 /nfs/dbraw/zinc/67/60/65/968676065.db2.gz UEPYYLUYYXANHW-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCCC12COC2 ZINC001207173798 968679371 /nfs/dbraw/zinc/67/93/71/968679371.db2.gz VUQBPGUUAGEKDX-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCCC12COC2 ZINC001207173798 968679377 /nfs/dbraw/zinc/67/93/77/968679377.db2.gz VUQBPGUUAGEKDX-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO Cc1[nH]c(CNC(=O)Cc2cccnc2)[nH+]c1C ZINC000827854380 968718015 /nfs/dbraw/zinc/71/80/15/968718015.db2.gz PQUGQVORZBQCHD-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CC1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCF)C1 ZINC001085540792 968785548 /nfs/dbraw/zinc/78/55/48/968785548.db2.gz GTKQCSVKOQPFRO-HTAVTVPLSA-N 1 2 242.338 1.535 20 0 BDADLO CC1CC(C(=O)N(C)C[C@H]2CC[N@H+]2CCF)C1 ZINC001085540792 968785554 /nfs/dbraw/zinc/78/55/54/968785554.db2.gz GTKQCSVKOQPFRO-HTAVTVPLSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccc(F)cc2)CC(=O)N1 ZINC001207510488 968811802 /nfs/dbraw/zinc/81/18/02/968811802.db2.gz BFURZKNBMKUJOX-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccc(F)cc2)CC(=O)N1 ZINC001207510488 968811804 /nfs/dbraw/zinc/81/18/04/968811804.db2.gz BFURZKNBMKUJOX-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO CC(C)OC[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252673374 968909023 /nfs/dbraw/zinc/90/90/23/968909023.db2.gz RYZRWCMCCNZWJD-LBPRGKRZSA-N 1 2 249.314 1.532 20 0 BDADLO COc1ncnc2c1CC[N@H+](C[C@H]1CCCO1)C2 ZINC001207860653 968910086 /nfs/dbraw/zinc/91/00/86/968910086.db2.gz FAIRWSFKVZUBEX-SNVBAGLBSA-N 1 2 249.314 1.022 20 0 BDADLO COc1ncnc2c1CC[N@@H+](C[C@H]1CCCO1)C2 ZINC001207860653 968910091 /nfs/dbraw/zinc/91/00/91/968910091.db2.gz FAIRWSFKVZUBEX-SNVBAGLBSA-N 1 2 249.314 1.022 20 0 BDADLO CC(F)(F)CCNC(=O)CCCn1cc[nH+]c1 ZINC001129325808 968926566 /nfs/dbraw/zinc/92/65/66/968926566.db2.gz DWOZDHAJNZELJO-UHFFFAOYSA-N 1 2 245.273 1.825 20 0 BDADLO CCC[C@@H](O)C[NH+]1CC(Oc2cccnc2)C1 ZINC001252783696 968956789 /nfs/dbraw/zinc/95/67/89/968956789.db2.gz IYAHNQHJRFTQCL-LLVKDONJSA-N 1 2 236.315 1.306 20 0 BDADLO Cc1cccc2c(C)cc(NC[C@@H](O)CO)[nH+]c12 ZINC001155643554 969036717 /nfs/dbraw/zinc/03/67/17/969036717.db2.gz YPKXCGLGTMTJBD-LLVKDONJSA-N 1 2 246.310 1.617 20 0 BDADLO OC1(CNc2cccc3[nH+]c[nH]c32)CCOCC1 ZINC001252968987 969063449 /nfs/dbraw/zinc/06/34/49/969063449.db2.gz YDXLJTQDRAMKCE-UHFFFAOYSA-N 1 2 247.298 1.516 20 0 BDADLO CCS(=O)(=O)Nc1cccc2[nH+]ccn21 ZINC001253260933 969122395 /nfs/dbraw/zinc/12/23/95/969122395.db2.gz JAXWOADTKWZFIW-UHFFFAOYSA-N 1 2 225.273 1.096 20 0 BDADLO CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)o1)C2 ZINC001253496932 969193538 /nfs/dbraw/zinc/19/35/38/969193538.db2.gz GHPNIRFMVMKCFG-UHFFFAOYSA-N 1 2 249.314 1.037 20 0 BDADLO CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)o1)C2 ZINC001253496932 969193545 /nfs/dbraw/zinc/19/35/45/969193545.db2.gz GHPNIRFMVMKCFG-UHFFFAOYSA-N 1 2 249.314 1.037 20 0 BDADLO Nc1[nH+]c(NC[C@@H]2CCC(=O)N2)ccc1Cl ZINC001156154810 969201935 /nfs/dbraw/zinc/20/19/35/969201935.db2.gz UDFYWRBVJNHWLU-LURJTMIESA-N 1 2 240.694 1.008 20 0 BDADLO c1cc2n(n1)CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC001208884101 969274732 /nfs/dbraw/zinc/27/47/32/969274732.db2.gz CQDOGWVPVOZYDP-LBPRGKRZSA-N 1 2 219.288 1.391 20 0 BDADLO c1cc2n(n1)CC[N@H+](C[C@@H]1CCC=CO1)C2 ZINC001208884101 969274742 /nfs/dbraw/zinc/27/47/42/969274742.db2.gz CQDOGWVPVOZYDP-LBPRGKRZSA-N 1 2 219.288 1.391 20 0 BDADLO COc1cccc2[nH+]c(NCCC(N)=O)ccc21 ZINC001168953151 969293027 /nfs/dbraw/zinc/29/30/27/969293027.db2.gz WPHFSGJJGBMRCS-UHFFFAOYSA-N 1 2 245.282 1.531 20 0 BDADLO CN(C)c1cc(Cl)[nH+]c(NCCC(N)=O)c1 ZINC001168955192 969304424 /nfs/dbraw/zinc/30/44/24/969304424.db2.gz SJTPOJQUFACBGS-UHFFFAOYSA-N 1 2 242.710 1.088 20 0 BDADLO Cc1cc(NCCC(N)=O)cc(OC(F)F)[nH+]1 ZINC001168964114 969315302 /nfs/dbraw/zinc/31/53/02/969315302.db2.gz UOZNCIYNWFTORG-UHFFFAOYSA-N 1 2 245.229 1.279 20 0 BDADLO O=C(OCC[N@H+]1CC[C@H](F)C1)c1ccccc1 ZINC001209042886 969336036 /nfs/dbraw/zinc/33/60/36/969336036.db2.gz UHJPWMPBUNJJHV-LBPRGKRZSA-N 1 2 237.274 1.887 20 0 BDADLO O=C(OCC[N@@H+]1CC[C@H](F)C1)c1ccccc1 ZINC001209042886 969336040 /nfs/dbraw/zinc/33/60/40/969336040.db2.gz UHJPWMPBUNJJHV-LBPRGKRZSA-N 1 2 237.274 1.887 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](CCCc2cccnc2)CCO1 ZINC001209180811 969370607 /nfs/dbraw/zinc/37/06/07/969370607.db2.gz KFMFJMOQRSUZOX-AWEZNQCLSA-N 1 2 248.326 1.304 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](CCCc2cccnc2)CCO1 ZINC001209180811 969370613 /nfs/dbraw/zinc/37/06/13/969370613.db2.gz KFMFJMOQRSUZOX-AWEZNQCLSA-N 1 2 248.326 1.304 20 0 BDADLO CCN(C)c1ccc(NC[C@@H](O)C(C)C)c[nH+]1 ZINC001253757056 969373284 /nfs/dbraw/zinc/37/32/84/969373284.db2.gz HPHRZBLNZUNDFA-GFCCVEGCSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc(C)n2C)c(C)o1 ZINC001253934363 969425263 /nfs/dbraw/zinc/42/52/63/969425263.db2.gz DWYYEWSTXZVNPY-UHFFFAOYSA-N 1 2 234.303 1.623 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccoc1)CC(C)C ZINC001254018670 969450111 /nfs/dbraw/zinc/45/01/11/969450111.db2.gz NRIFFTCGYGUQGS-UHFFFAOYSA-N 1 2 225.288 1.911 20 0 BDADLO COC(=O)C[N@H+](Cc1ccoc1)CC(C)C ZINC001254018670 969450119 /nfs/dbraw/zinc/45/01/19/969450119.db2.gz NRIFFTCGYGUQGS-UHFFFAOYSA-N 1 2 225.288 1.911 20 0 BDADLO CC[C@H](C)[C@H](Nc1cc2cc[nH]c2c[nH+]1)C(N)=O ZINC001169146872 969464365 /nfs/dbraw/zinc/46/43/65/969464365.db2.gz NZJLNFRURPEKSP-UFBFGSQYSA-N 1 2 246.314 1.875 20 0 BDADLO Cn1c[nH+]c(Cc2nnc(C3CC3)o2)c1 ZINC001254064582 969471068 /nfs/dbraw/zinc/47/10/68/969471068.db2.gz OJVMPFOKTIOUON-UHFFFAOYSA-N 1 2 204.233 1.271 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001209554482 969538462 /nfs/dbraw/zinc/53/84/62/969538462.db2.gz IJIRGORDUMCDDF-CABZTGNLSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001209554482 969538467 /nfs/dbraw/zinc/53/84/67/969538467.db2.gz IJIRGORDUMCDDF-CABZTGNLSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]c2ncccc2c1C[NH+]1CC2(CCO2)C1 ZINC001209589516 969566512 /nfs/dbraw/zinc/56/65/12/969566512.db2.gz FNDRPWQTQISHGB-UHFFFAOYSA-N 1 2 243.310 1.846 20 0 BDADLO COc1cc(C[N@@H+]2CCCC23COC3)ccn1 ZINC001209641915 969569019 /nfs/dbraw/zinc/56/90/19/969569019.db2.gz NHDFKHRVHLQPHF-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cc(C[N@H+]2CCCC23COC3)ccn1 ZINC001209641915 969569021 /nfs/dbraw/zinc/56/90/21/969569021.db2.gz NHDFKHRVHLQPHF-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO c1cc([C@@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)ccn1 ZINC001254385894 969602450 /nfs/dbraw/zinc/60/24/50/969602450.db2.gz KEOLOQWRXUVARN-KGLIPLIRSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)ccn1 ZINC001254385894 969602453 /nfs/dbraw/zinc/60/24/53/969602453.db2.gz KEOLOQWRXUVARN-KGLIPLIRSA-N 1 2 248.326 1.634 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+]([C@H]1CCCOC1)C2 ZINC001254386630 969602570 /nfs/dbraw/zinc/60/25/70/969602570.db2.gz BRHBIEVGHSTGPN-JTQLQIEISA-N 1 2 222.288 1.520 20 0 BDADLO Cc1nc2c(o1)CC[N@H+]([C@H]1CCCOC1)C2 ZINC001254386630 969602574 /nfs/dbraw/zinc/60/25/74/969602574.db2.gz BRHBIEVGHSTGPN-JTQLQIEISA-N 1 2 222.288 1.520 20 0 BDADLO CN(c1ccc2[nH]c[nH+]c2c1)c1nccnc1N ZINC001209843480 969656681 /nfs/dbraw/zinc/65/66/81/969656681.db2.gz DLLKAVUZTDVCEX-UHFFFAOYSA-N 1 2 240.270 1.703 20 0 BDADLO C[C@@H]([NH2+]c1cccc(=O)n1C)c1cnccn1 ZINC001169533420 969727242 /nfs/dbraw/zinc/72/72/42/969727242.db2.gz NOBDMIWSOSABSR-SECBINFHSA-N 1 2 230.271 1.348 20 0 BDADLO CCCCC(=O)[C@H](C)Nc1c[nH+]cn1C ZINC001169547071 969740724 /nfs/dbraw/zinc/74/07/24/969740724.db2.gz GFBVDRLFRJNEJV-VIFPVBQESA-N 1 2 209.293 1.980 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccc2ocnc2c1 ZINC001169654433 969800332 /nfs/dbraw/zinc/80/03/32/969800332.db2.gz RDPKNHRVXFJLBV-LLVKDONJSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccc2ocnc2c1 ZINC001169654433 969800333 /nfs/dbraw/zinc/80/03/33/969800333.db2.gz RDPKNHRVXFJLBV-LLVKDONJSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cnc2ccoc2c1 ZINC001169654501 969800976 /nfs/dbraw/zinc/80/09/76/969800976.db2.gz UBZNXRUEFQDJOP-LLVKDONJSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cnc2ccoc2c1 ZINC001169654501 969800983 /nfs/dbraw/zinc/80/09/83/969800983.db2.gz UBZNXRUEFQDJOP-LLVKDONJSA-N 1 2 247.298 1.570 20 0 BDADLO Cc1ccc(NC[C@@H]2COCC[N@H+]2C)cn1 ZINC001169653053 969801122 /nfs/dbraw/zinc/80/11/22/969801122.db2.gz DTUOIXLVRGJLBK-GFCCVEGCSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC001169653053 969801125 /nfs/dbraw/zinc/80/11/25/969801125.db2.gz DTUOIXLVRGJLBK-GFCCVEGCSA-N 1 2 221.304 1.133 20 0 BDADLO CC(C)c1cccc(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC001169654215 969802400 /nfs/dbraw/zinc/80/24/00/969802400.db2.gz PBTMYKFSGOEDJB-GFCCVEGCSA-N 1 2 249.358 1.948 20 0 BDADLO CC(C)c1cccc(NC[C@@H]2COCC[N@H+]2C)n1 ZINC001169654215 969802403 /nfs/dbraw/zinc/80/24/03/969802403.db2.gz PBTMYKFSGOEDJB-GFCCVEGCSA-N 1 2 249.358 1.948 20 0 BDADLO Cc1c[nH+]cc(NC[C@@H]2COCCN2C)c1C ZINC001169657000 969803428 /nfs/dbraw/zinc/80/34/28/969803428.db2.gz QMRMAWULVSYLRR-GFCCVEGCSA-N 1 2 235.331 1.441 20 0 BDADLO CN(C)c1ccc(NCc2ncccc2O)[nH+]c1 ZINC001169733485 969837251 /nfs/dbraw/zinc/83/72/51/969837251.db2.gz VRUDGPAUYPKMJS-UHFFFAOYSA-N 1 2 244.298 1.860 20 0 BDADLO Cc1[nH+]cc(Nc2ccnn2CCF)cc1N ZINC001210288274 969857749 /nfs/dbraw/zinc/85/77/49/969857749.db2.gz GWYVQXYMHLVDIC-UHFFFAOYSA-N 1 2 235.266 1.882 20 0 BDADLO c1nc2c(s1)C[N@@H+](C1CCOCC1)C2 ZINC001255044139 969863867 /nfs/dbraw/zinc/86/38/67/969863867.db2.gz LMKOEHPZGJBKML-UHFFFAOYSA-N 1 2 210.302 1.638 20 0 BDADLO c1nc2c(s1)C[N@H+](C1CCOCC1)C2 ZINC001255044139 969863868 /nfs/dbraw/zinc/86/38/68/969863868.db2.gz LMKOEHPZGJBKML-UHFFFAOYSA-N 1 2 210.302 1.638 20 0 BDADLO CN1CC[C@@H](Nc2cc3ccccc3c[nH+]2)C1=O ZINC001156503242 969904219 /nfs/dbraw/zinc/90/42/19/969904219.db2.gz VMBLYJBEJMTMQX-GFCCVEGCSA-N 1 2 241.294 1.877 20 0 BDADLO COC(=O)C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169974432 969913026 /nfs/dbraw/zinc/91/30/26/969913026.db2.gz FRJGPHGFVOUPOB-UHFFFAOYSA-N 1 2 244.335 1.160 20 0 BDADLO Cc1nc(NCCCN(C)C(=O)C2CC2)cc[nH+]1 ZINC001109366734 969972610 /nfs/dbraw/zinc/97/26/10/969972610.db2.gz FHAMDYFSAZZGIF-UHFFFAOYSA-N 1 2 248.330 1.455 20 0 BDADLO FC1(F)C[NH2+]CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001210815240 970048263 /nfs/dbraw/zinc/04/82/63/970048263.db2.gz QIFDAUZXCWXNHF-TUAOUCFPSA-N 1 2 242.313 1.739 20 0 BDADLO Fc1cccc(CN2CC[NH2+]CC(F)(F)C2)c1 ZINC001210815264 970050637 /nfs/dbraw/zinc/05/06/37/970050637.db2.gz ROAQURRGTNFYHP-UHFFFAOYSA-N 1 2 244.260 1.866 20 0 BDADLO CCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110039263 970057624 /nfs/dbraw/zinc/05/76/24/970057624.db2.gz GLUNJFGRUHJEMJ-UHFFFAOYSA-N 1 2 248.330 1.646 20 0 BDADLO CC(=O)[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001255412556 970127940 /nfs/dbraw/zinc/12/79/40/970127940.db2.gz SAZKQLITQDGUOP-ZIAGYGMSSA-N 1 2 232.327 1.610 20 0 BDADLO CC(=O)[C@@H](N[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001255412556 970127943 /nfs/dbraw/zinc/12/79/43/970127943.db2.gz SAZKQLITQDGUOP-ZIAGYGMSSA-N 1 2 232.327 1.610 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C)C1)[C@@H](C)O ZINC001170100817 970292108 /nfs/dbraw/zinc/29/21/08/970292108.db2.gz LMELXJNDLCMSPR-LNFKQOIKSA-N 1 2 229.320 1.077 20 0 BDADLO Cc1cnn(CCO)c1Nc1c[nH+]c(C)cc1C ZINC001213510410 970334793 /nfs/dbraw/zinc/33/47/93/970334793.db2.gz BFTVWCHVFXAJOD-UHFFFAOYSA-N 1 2 246.314 1.939 20 0 BDADLO COC(=O)c1ncn(-c2c[nH+]cc(C)c2C)c1N ZINC001213527478 970345077 /nfs/dbraw/zinc/34/50/77/970345077.db2.gz NFYDKZXGOLUDPJ-UHFFFAOYSA-N 1 2 246.270 1.253 20 0 BDADLO Cc1c[nH+]cc(-n2cnc(N)c3ncnc2-3)c1C ZINC001213523583 970349973 /nfs/dbraw/zinc/34/99/73/970349973.db2.gz VEANFWKQAAFOID-UHFFFAOYSA-N 1 2 240.270 1.361 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001255576614 970375404 /nfs/dbraw/zinc/37/54/04/970375404.db2.gz IOXRVVIHFCGJDW-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001255576614 970375410 /nfs/dbraw/zinc/37/54/10/970375410.db2.gz IOXRVVIHFCGJDW-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@H]1C[C@@](C)(O)C1 ZINC001157558784 970435745 /nfs/dbraw/zinc/43/57/45/970435745.db2.gz MKJICLFBCWSKMS-GSJFWJNXSA-N 1 2 236.315 1.972 20 0 BDADLO CCN=C1C=CC(N)=C[N@@H+]1c1ccc(C)cc1N ZINC001214184587 970456957 /nfs/dbraw/zinc/45/69/57/970456957.db2.gz OLPNOHIXYUHJIC-UHFFFAOYSA-N 1 2 242.326 1.871 20 0 BDADLO CCN=C1C=CC(N)=C[N@H+]1c1ccc(C)cc1N ZINC001214184587 970456965 /nfs/dbraw/zinc/45/69/65/970456965.db2.gz OLPNOHIXYUHJIC-UHFFFAOYSA-N 1 2 242.326 1.871 20 0 BDADLO Cn1c[nH+]cc1NCC(=O)Cc1ccccc1 ZINC001170186215 970557756 /nfs/dbraw/zinc/55/77/56/970557756.db2.gz VHSQYUQRQRZRSF-UHFFFAOYSA-N 1 2 229.283 1.644 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000402082818 970758736 /nfs/dbraw/zinc/75/87/36/970758736.db2.gz VWYVDDDFTFXXHP-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000402082818 970758743 /nfs/dbraw/zinc/75/87/43/970758743.db2.gz VWYVDDDFTFXXHP-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO C[C@@H](Cc1nnc(C[NH+](C)C)o1)n1cccn1 ZINC001327355239 972558545 /nfs/dbraw/zinc/55/85/45/972558545.db2.gz UWTDWNDPRHMCPE-VIFPVBQESA-N 1 2 235.291 1.131 20 0 BDADLO Cn1c[nH+]cc1COC1CC(F)(F)C1 ZINC001222595213 972592660 /nfs/dbraw/zinc/59/26/60/972592660.db2.gz TVDFVHNYYVOYBG-UHFFFAOYSA-N 1 2 202.204 1.734 20 0 BDADLO Cn1c[nH+]cc1COC[C@H]1COC(C)(C)O1 ZINC001222594982 972593742 /nfs/dbraw/zinc/59/37/42/972593742.db2.gz KTEBRKOQBWDXTH-JTQLQIEISA-N 1 2 226.276 1.088 20 0 BDADLO CO[C@@H](C)CO[C@H](C)COCc1c[nH+]cn1C ZINC001222599409 972600275 /nfs/dbraw/zinc/60/02/75/972600275.db2.gz AREUVZULINCRRY-WDEREUQCSA-N 1 2 242.319 1.377 20 0 BDADLO CCn1cnnc1C[NH2+][C@H]1CCCn2nccc21 ZINC001327592032 972657858 /nfs/dbraw/zinc/65/78/58/972657858.db2.gz UIPYPXUZQGBCQZ-JTQLQIEISA-N 1 2 246.318 1.119 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144168789 972664669 /nfs/dbraw/zinc/66/46/69/972664669.db2.gz KXONAAAHJWRYHH-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144168789 972664675 /nfs/dbraw/zinc/66/46/75/972664675.db2.gz KXONAAAHJWRYHH-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO C[NH+]1CC(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001144300483 972750776 /nfs/dbraw/zinc/75/07/76/972750776.db2.gz FGDJVLONTYGLLK-OUAUKWLOSA-N 1 2 222.332 1.243 20 0 BDADLO CCc1cccc(C[N@@H+]2CC(=O)NC[C@H]2C)c1 ZINC001144326797 972773088 /nfs/dbraw/zinc/77/30/88/972773088.db2.gz UBXLWFULTVQCNA-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO CCc1cccc(C[N@H+]2CC(=O)NC[C@H]2C)c1 ZINC001144326797 972773097 /nfs/dbraw/zinc/77/30/97/972773097.db2.gz UBXLWFULTVQCNA-LLVKDONJSA-N 1 2 232.327 1.569 20 0 BDADLO OC1C[NH+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144406283 972800547 /nfs/dbraw/zinc/80/05/47/972800547.db2.gz ZTGGJFMPEQYKMT-UHFFFAOYSA-N 1 2 237.690 1.393 20 0 BDADLO CCOc1cc(C(=O)Nc2cc[nH+]c(C)c2)[nH]n1 ZINC001327921451 972812681 /nfs/dbraw/zinc/81/26/81/972812681.db2.gz HJBAMMSGHFLVMX-UHFFFAOYSA-N 1 2 246.270 1.186 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)nc1 ZINC001144420025 972814840 /nfs/dbraw/zinc/81/48/40/972814840.db2.gz QADFHPKGGDYYQJ-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)nc1 ZINC001144420025 972814844 /nfs/dbraw/zinc/81/48/44/972814844.db2.gz QADFHPKGGDYYQJ-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NC2C[NH+](C)C2)cc1 ZINC001144457434 972831655 /nfs/dbraw/zinc/83/16/55/972831655.db2.gz VQCBUHFTQLDORT-NSHDSACASA-N 1 2 232.327 1.529 20 0 BDADLO CC/C=C/CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001328064818 972861090 /nfs/dbraw/zinc/86/10/90/972861090.db2.gz LAVFFMUSSSQXCR-YEZKRMTDSA-N 1 2 207.277 1.527 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555001 972867586 /nfs/dbraw/zinc/86/75/86/972867586.db2.gz QOBJIUZPCFQHKV-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144555001 972867592 /nfs/dbraw/zinc/86/75/92/972867592.db2.gz QOBJIUZPCFQHKV-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO O[C@H]1C[N@H+](Cc2ncn3ccccc23)CC[C@@H]1F ZINC001144611231 972885772 /nfs/dbraw/zinc/88/57/72/972885772.db2.gz KZLGDSADJYJNQY-GWCFXTLKSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ncn3ccccc23)CC[C@@H]1F ZINC001144611231 972885775 /nfs/dbraw/zinc/88/57/75/972885775.db2.gz KZLGDSADJYJNQY-GWCFXTLKSA-N 1 2 249.289 1.239 20 0 BDADLO C[C@@H]1C[C@@H](O)CCN1Cc1[nH+]cn2ccccc12 ZINC001144624676 972888579 /nfs/dbraw/zinc/88/85/79/972888579.db2.gz PSUOPUCLBIPTFI-NEPJUHHUSA-N 1 2 245.326 1.680 20 0 BDADLO c1nc(C[NH+]2CC3(C2)CCOC3)c2ccccn12 ZINC001144611980 972892084 /nfs/dbraw/zinc/89/20/84/972892084.db2.gz YYHQAHUOZGNOGI-UHFFFAOYSA-N 1 2 243.310 1.557 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)c(O)cc1F ZINC001144647155 972905188 /nfs/dbraw/zinc/90/51/88/972905188.db2.gz AMZODMGMFIYBGS-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(F)c(O)cc1F ZINC001144647155 972905196 /nfs/dbraw/zinc/90/51/96/972905196.db2.gz AMZODMGMFIYBGS-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OCc1cncs1 ZINC001223276117 972919140 /nfs/dbraw/zinc/91/91/40/972919140.db2.gz NZVVRPQOXWZSBH-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO C[C@@H](C(=O)NCC[C@H]1CC1(F)F)n1cc[nH+]c1 ZINC001328595169 973179375 /nfs/dbraw/zinc/17/93/75/973179375.db2.gz PVUVDEQIWXECMG-IUCAKERBSA-N 1 2 243.257 1.606 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)no1 ZINC001328613980 973195468 /nfs/dbraw/zinc/19/54/68/973195468.db2.gz XPALDQVRKJXNNG-PSASIEDQSA-N 1 2 239.319 1.986 20 0 BDADLO O=C(CC1CCOCC1)N[C@H]1CCn2c[nH+]cc21 ZINC001328726936 973317200 /nfs/dbraw/zinc/31/72/00/973317200.db2.gz TYCYTUNYAHKYHR-NSHDSACASA-N 1 2 249.314 1.261 20 0 BDADLO CC[C@@H](CC(F)F)C(=O)NCCc1[nH]cc[nH+]1 ZINC001146981398 973354239 /nfs/dbraw/zinc/35/42/39/973354239.db2.gz KJBOMPRMTLERCL-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cccc(C)n2)[nH+]1 ZINC001147220535 973487660 /nfs/dbraw/zinc/48/76/60/973487660.db2.gz LPMWXRQKXWVQKN-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC2CCC1CC2 ZINC001329126646 973499295 /nfs/dbraw/zinc/49/92/95/973499295.db2.gz KOLCRJNPVOGFDS-UHFFFAOYSA-N 1 2 233.315 1.364 20 0 BDADLO Cn1cc(C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC001147275505 973508580 /nfs/dbraw/zinc/50/85/80/973508580.db2.gz IILSQUFLSFIRGT-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO C[NH+]1CC(OCCOc2ccc3c(c2)CCC3)C1 ZINC001224302204 973517146 /nfs/dbraw/zinc/51/71/46/973517146.db2.gz KHKPSFQBGYNBGT-UHFFFAOYSA-N 1 2 247.338 1.885 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccnn1C ZINC001329307072 973658791 /nfs/dbraw/zinc/65/87/91/973658791.db2.gz NIFHILRZLMASNK-VHSXEESVSA-N 1 2 231.303 1.412 20 0 BDADLO CC(=O)[C@H]1CCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001329319501 973674353 /nfs/dbraw/zinc/67/43/53/973674353.db2.gz DIDZPXULXHOHPQ-CMPLNLGQSA-N 1 2 249.314 1.414 20 0 BDADLO CC(=O)NC[C@@H](C)[N@H+](C)Cc1nc(C)oc1C ZINC001329368947 973705668 /nfs/dbraw/zinc/70/56/68/973705668.db2.gz ARMDHTITMZRETR-MRVPVSSYSA-N 1 2 239.319 1.248 20 0 BDADLO CC(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(C)oc1C ZINC001329368947 973705689 /nfs/dbraw/zinc/70/56/89/973705689.db2.gz ARMDHTITMZRETR-MRVPVSSYSA-N 1 2 239.319 1.248 20 0 BDADLO CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001329374042 973714902 /nfs/dbraw/zinc/71/49/02/973714902.db2.gz ZHOQOFWQCXZAGU-WCBMZHEXSA-N 1 2 239.319 1.500 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)C[C@@H]1C ZINC001147743486 973754872 /nfs/dbraw/zinc/75/48/72/973754872.db2.gz WYUVOUIIGXAXKI-BDAKNGLRSA-N 1 2 221.304 1.518 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)C[C@@H]1C ZINC001147743488 973756056 /nfs/dbraw/zinc/75/60/56/973756056.db2.gz WYUVOUIIGXAXKI-IUCAKERBSA-N 1 2 221.304 1.518 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)C(F)(F)F ZINC000234950002 973794808 /nfs/dbraw/zinc/79/48/08/973794808.db2.gz WIWPFFLTCFZEBL-ZETCQYMHSA-N 1 2 236.193 1.425 20 0 BDADLO Cc1coc(C(=O)NCc2c[nH+]cn2C)c1C ZINC001329820330 973957533 /nfs/dbraw/zinc/95/75/33/973957533.db2.gz JPQHEKCTXVDDCT-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CC[C@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093483048 974021941 /nfs/dbraw/zinc/02/19/41/974021941.db2.gz ZARUWYGKNLCYTE-VIFPVBQESA-N 1 2 236.319 1.359 20 0 BDADLO Cc1nc(NCCNC(=O)C=C2CCC2)cc[nH+]1 ZINC001093551962 974030898 /nfs/dbraw/zinc/03/08/98/974030898.db2.gz VBXNQLPTNHHDCR-UHFFFAOYSA-N 1 2 246.314 1.423 20 0 BDADLO CCC(=O)[C@H](CC)OCCC[NH+]1CCOCC1 ZINC001224870313 974037735 /nfs/dbraw/zinc/03/77/35/974037735.db2.gz PANFCWPXACXCRX-ZDUSSCGKSA-N 1 2 243.347 1.483 20 0 BDADLO CCOC(=[NH2+])CCCCO[C@@H]1CCCOC1=O ZINC001224963705 974102569 /nfs/dbraw/zinc/10/25/69/974102569.db2.gz PHPWPQSOEFNDID-SNVBAGLBSA-N 1 2 243.303 1.893 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@H]1COC(=O)O1 ZINC001224963422 974103551 /nfs/dbraw/zinc/10/35/51/974103551.db2.gz NAOJKWNJFOZUKF-VIFPVBQESA-N 1 2 245.275 1.722 20 0 BDADLO CC[C@@H]([NH2+]C1CC2(CC2(F)F)C1)C(=O)OC ZINC001330124550 974120308 /nfs/dbraw/zinc/12/03/08/974120308.db2.gz XGTQVZRHCLQGPY-CCNFQMFXSA-N 1 2 233.258 1.715 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171808421 974199737 /nfs/dbraw/zinc/19/97/37/974199737.db2.gz YREUYOPQQFQJLU-JTQLQIEISA-N 1 2 237.274 1.398 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171808421 974199751 /nfs/dbraw/zinc/19/97/51/974199751.db2.gz YREUYOPQQFQJLU-JTQLQIEISA-N 1 2 237.274 1.398 20 0 BDADLO O=C1C[C@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C1CC1 ZINC001172013667 974255644 /nfs/dbraw/zinc/25/56/44/974255644.db2.gz ZCRGZTCULAZTBV-MXWKQRLJSA-N 1 2 244.285 1.132 20 0 BDADLO O=C1C[C@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)CCN1C1CC1 ZINC001172013667 974255658 /nfs/dbraw/zinc/25/56/58/974255658.db2.gz ZCRGZTCULAZTBV-MXWKQRLJSA-N 1 2 244.285 1.132 20 0 BDADLO C[C@H](O)C[N@H+](Cc1nnc[nH]1)C1CCCCC1 ZINC001330546163 974302623 /nfs/dbraw/zinc/30/26/23/974302623.db2.gz CFKYERGBEHWADR-JTQLQIEISA-N 1 2 238.335 1.320 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1nnc[nH]1)C1CCCCC1 ZINC001330546163 974302632 /nfs/dbraw/zinc/30/26/32/974302632.db2.gz CFKYERGBEHWADR-JTQLQIEISA-N 1 2 238.335 1.320 20 0 BDADLO CC[NH+]1CC(Oc2cncc(Cl)c2)C1 ZINC001225286964 974353174 /nfs/dbraw/zinc/35/31/74/974353174.db2.gz MRSVMIVRKMIZSI-UHFFFAOYSA-N 1 2 212.680 1.818 20 0 BDADLO COC(=O)C1(C)CC(Oc2cc[nH+]cc2)C1 ZINC001225294072 974367920 /nfs/dbraw/zinc/36/79/20/974367920.db2.gz DUXGAYSETVCKFG-UHFFFAOYSA-N 1 2 221.256 1.802 20 0 BDADLO CO[C@H](C)CO[C@H](C)COc1cc[nH+]cc1 ZINC001225296478 974372873 /nfs/dbraw/zinc/37/28/73/974372873.db2.gz VZMYTTDGKHTETD-GHMZBOCLSA-N 1 2 225.288 1.900 20 0 BDADLO COc1cc(C)cc(OC2C[NH+](C)C2)c1 ZINC001225338331 974413262 /nfs/dbraw/zinc/41/32/62/974413262.db2.gz WOINFMVOFKHJDP-UHFFFAOYSA-N 1 2 207.273 1.696 20 0 BDADLO Cc1ncccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001225351210 974430712 /nfs/dbraw/zinc/43/07/12/974430712.db2.gz HZIVUPWJNINCSX-LLVKDONJSA-N 1 2 236.315 1.490 20 0 BDADLO CO[C@@H]1CC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC001330829752 974491446 /nfs/dbraw/zinc/49/14/46/974491446.db2.gz VZWOLNACMZCZTD-WDEREUQCSA-N 1 2 222.288 1.553 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC001172316044 974523006 /nfs/dbraw/zinc/52/30/06/974523006.db2.gz FDCDEWRBQWDLID-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H]1CC[C@@H]([N@@H+]2CCOC(=O)C2)C[C@H]1C ZINC001172379905 974584590 /nfs/dbraw/zinc/58/45/90/974584590.db2.gz PXSQILYQWVHXCV-GMTAPVOTSA-N 1 2 211.305 1.670 20 0 BDADLO C[C@@H]1CC[C@@H]([N@H+]2CCOC(=O)C2)C[C@H]1C ZINC001172379905 974584599 /nfs/dbraw/zinc/58/45/99/974584599.db2.gz PXSQILYQWVHXCV-GMTAPVOTSA-N 1 2 211.305 1.670 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1C ZINC001331224427 974652021 /nfs/dbraw/zinc/65/20/21/974652021.db2.gz HKDUWVUQTVVPCG-SNVBAGLBSA-N 1 2 245.282 1.448 20 0 BDADLO CCOCC[C@H](C)[NH2+]C(C)(C)C(=O)OC ZINC001172407901 974666539 /nfs/dbraw/zinc/66/65/39/974666539.db2.gz CBTPMJKMKQZIHX-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001172416210 974684636 /nfs/dbraw/zinc/68/46/36/974684636.db2.gz FBCCVOWGXZJCAL-GHMZBOCLSA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001172416210 974684641 /nfs/dbraw/zinc/68/46/41/974684641.db2.gz FBCCVOWGXZJCAL-GHMZBOCLSA-N 1 2 231.311 1.805 20 0 BDADLO COC(=O)c1cc(C)ccc1OC1C[NH+](C)C1 ZINC001225876765 974712225 /nfs/dbraw/zinc/71/22/25/974712225.db2.gz PTDBUKJVQZLZGO-UHFFFAOYSA-N 1 2 235.283 1.474 20 0 BDADLO COC(=O)C1([NH2+][C@@H](C)CCOC(C)C)CC1 ZINC001172433163 974720384 /nfs/dbraw/zinc/72/03/84/974720384.db2.gz GXFHUKBHCMIDSQ-JTQLQIEISA-N 1 2 229.320 1.485 20 0 BDADLO C[N@H+](CCCF)Cn1cccnc1=S ZINC001331523207 974747223 /nfs/dbraw/zinc/74/72/23/974747223.db2.gz NNGPNVKJFFGQFT-UHFFFAOYSA-N 1 2 215.297 1.861 20 0 BDADLO C[N@@H+](CCCF)Cn1cccnc1=S ZINC001331523207 974747227 /nfs/dbraw/zinc/74/72/27/974747227.db2.gz NNGPNVKJFFGQFT-UHFFFAOYSA-N 1 2 215.297 1.861 20 0 BDADLO CCOC(=O)C1([NH2+][C@H](C)CCOC(C)C)CC1 ZINC001172438317 974791920 /nfs/dbraw/zinc/79/19/20/974791920.db2.gz PFSBCFPSMBYJOD-LLVKDONJSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncn[nH]1)[C@@H]1CCCOC1 ZINC001331838093 974832685 /nfs/dbraw/zinc/83/26/85/974832685.db2.gz UCPAAEOVUGLYLX-NXEZZACHSA-N 1 2 224.308 1.100 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001172762382 974932347 /nfs/dbraw/zinc/93/23/47/974932347.db2.gz KKEYCUGLUUUJNB-SDDRHHMPSA-N 1 2 241.331 1.580 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001172762382 974932351 /nfs/dbraw/zinc/93/23/51/974932351.db2.gz KKEYCUGLUUUJNB-SDDRHHMPSA-N 1 2 241.331 1.580 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[NH+]1CC2(CCO2)C1 ZINC001172759820 974932935 /nfs/dbraw/zinc/93/29/35/974932935.db2.gz SNQQXIZLFSZDGH-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO Cc1[nH]nc(OC2C[NH+](C(C)C)C2)c1C ZINC001226512953 974937898 /nfs/dbraw/zinc/93/78/98/974937898.db2.gz WIDHDXQFIYIWLS-UHFFFAOYSA-N 1 2 209.293 1.498 20 0 BDADLO CC[NH+]1CC(Oc2nccc3ncccc32)C1 ZINC001226538661 974948417 /nfs/dbraw/zinc/94/84/17/974948417.db2.gz DZVRKQHSOPWMLG-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172826037 974949958 /nfs/dbraw/zinc/94/99/58/974949958.db2.gz NPWDLLLGIFEWDS-CYBMUJFWSA-N 1 2 233.311 1.615 20 0 BDADLO C/C(=C(/F)C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC001332097592 974951197 /nfs/dbraw/zinc/95/11/97/974951197.db2.gz PRGOFGSVZDANBF-XFXZXTDPSA-N 1 2 249.289 1.879 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccns1 ZINC001150093957 974955508 /nfs/dbraw/zinc/95/55/08/974955508.db2.gz JIFGBEYUEJVSGG-UHFFFAOYSA-N 1 2 222.273 1.368 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC2CCC2)C[N@@H+]1C ZINC001206178049 974957713 /nfs/dbraw/zinc/95/77/13/974957713.db2.gz YFVMUFYEHVIHCB-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC2CCC2)C[N@H+]1C ZINC001206178049 974957722 /nfs/dbraw/zinc/95/77/22/974957722.db2.gz YFVMUFYEHVIHCB-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)[NH+]1CC(Oc2nc3cccnc3[nH]2)C1 ZINC001226667427 975012964 /nfs/dbraw/zinc/01/29/64/975012964.db2.gz BKNXPXMNYOXAKP-UHFFFAOYSA-N 1 2 232.287 1.429 20 0 BDADLO COc1c[nH]nc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001332225532 975014514 /nfs/dbraw/zinc/01/45/14/975014514.db2.gz SSTHERHEPYNIGC-QMMMGPOBSA-N 1 2 249.274 1.205 20 0 BDADLO CC(C)[NH+]1CC(Oc2nc3ncccc3o2)C1 ZINC001226812291 975094659 /nfs/dbraw/zinc/09/46/59/975094659.db2.gz RIMOROLQZQMMLM-UHFFFAOYSA-N 1 2 233.271 1.694 20 0 BDADLO CC[C@@H]1CC[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC001173263354 975119805 /nfs/dbraw/zinc/11/98/05/975119805.db2.gz HXTZHNFKANJBNX-DBIOUOCHSA-N 1 2 229.320 1.077 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@@H](CC)C1)[C@@H](C)O ZINC001173264386 975124537 /nfs/dbraw/zinc/12/45/37/975124537.db2.gz SDLJVTYTCVEXDR-WISYIIOYSA-N 1 2 243.347 1.467 20 0 BDADLO CC(C)[NH+]1CC(Oc2n[nH]c3c2CCCC3)C1 ZINC001227101782 975273248 /nfs/dbraw/zinc/27/32/48/975273248.db2.gz SINIWAMBOGJFHY-UHFFFAOYSA-N 1 2 235.331 1.760 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(C=O)c1 ZINC001332865422 975299371 /nfs/dbraw/zinc/29/93/71/975299371.db2.gz FMIXUAZEJYMUNR-SECBINFHSA-N 1 2 247.254 1.107 20 0 BDADLO COCC(COC)Oc1c(C)cc[nH+]c1C ZINC001227261398 975341273 /nfs/dbraw/zinc/34/12/73/975341273.db2.gz AMRBLSZVLNNPHJ-UHFFFAOYSA-N 1 2 225.288 1.739 20 0 BDADLO CC[C@@H](CC(F)F)C(=O)NCc1c[nH+]cn1C ZINC001333104841 975422408 /nfs/dbraw/zinc/42/24/08/975422408.db2.gz YFFRIIWJDIHNFV-QMMMGPOBSA-N 1 2 245.273 1.718 20 0 BDADLO Cc1ccn([C@H](C)Cc2nnc(C[NH+](C)C)o2)n1 ZINC001333120315 975450021 /nfs/dbraw/zinc/45/00/21/975450021.db2.gz DRFFHJYQUPQWKP-SNVBAGLBSA-N 1 2 249.318 1.440 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccccc1C ZINC001173815629 975577389 /nfs/dbraw/zinc/57/73/89/975577389.db2.gz UVWPUUPZUDLNCP-UHFFFAOYSA-N 1 2 245.282 1.940 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1(OC)CCC1)C(C)(C)C ZINC001330622558 975622204 /nfs/dbraw/zinc/62/22/04/975622204.db2.gz SFMWOOWCPRKTJN-SNVBAGLBSA-N 1 2 243.347 1.733 20 0 BDADLO C=Cc1c[nH]c(=O)nc1OC1C[NH+](C(C)C)C1 ZINC001227713555 975634992 /nfs/dbraw/zinc/63/49/92/975634992.db2.gz MTDIFDVGROYMMT-UHFFFAOYSA-N 1 2 235.287 1.297 20 0 BDADLO CCn1nccc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001333308845 975638788 /nfs/dbraw/zinc/63/87/88/975638788.db2.gz ZZBFSBNANIHIEC-GXSJLCMTSA-N 1 2 246.318 1.290 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C)cc1 ZINC001173801240 975663706 /nfs/dbraw/zinc/66/37/06/975663706.db2.gz UHJDFKPZUBDEBF-UHFFFAOYSA-N 1 2 245.282 1.940 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227807550 975712582 /nfs/dbraw/zinc/71/25/82/975712582.db2.gz ZPWCHZKAQJPJDH-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227807550 975712598 /nfs/dbraw/zinc/71/25/98/975712598.db2.gz ZPWCHZKAQJPJDH-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO c1cc(C[NH2+]Cc2noc3c2COCC3)c[nH]1 ZINC001333519021 975827859 /nfs/dbraw/zinc/82/78/59/975827859.db2.gz IQXMMAXHRLJLMC-UHFFFAOYSA-N 1 2 233.271 1.365 20 0 BDADLO CC[C@@H](O)CCCNc1cc(N(C)C)nc[nH+]1 ZINC001333708222 976019236 /nfs/dbraw/zinc/01/92/36/976019236.db2.gz VNZRNYZSGASSNE-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@@H](O)CCCNc1cc(N(C)C)[nH+]cn1 ZINC001333708222 976019254 /nfs/dbraw/zinc/01/92/54/976019254.db2.gz VNZRNYZSGASSNE-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO Cn1cccc1C[NH2+]Cc1noc2c1COCC2 ZINC001333788701 976080644 /nfs/dbraw/zinc/08/06/44/976080644.db2.gz FJFIHKVZTAADJV-UHFFFAOYSA-N 1 2 247.298 1.376 20 0 BDADLO Cc1[nH]c2ccc(O[C@H]3CCCOC3=O)cc2[nH+]1 ZINC001228326078 976123327 /nfs/dbraw/zinc/12/33/27/976123327.db2.gz DURIKLCBGPVXNY-LBPRGKRZSA-N 1 2 246.266 1.956 20 0 BDADLO CN(C)C(=O)c1ccccc1OC1C[NH+](C)C1 ZINC001228340469 976134871 /nfs/dbraw/zinc/13/48/71/976134871.db2.gz RJJJVGCYOCLMTD-UHFFFAOYSA-N 1 2 234.299 1.081 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC[C@@H](O)C2CC2)[nH+]1 ZINC001333873470 976136638 /nfs/dbraw/zinc/13/66/38/976136638.db2.gz QGMBMRMOCDMPRS-LLVKDONJSA-N 1 2 246.314 1.839 20 0 BDADLO CC1(CO)CC[NH+](Cc2nncs2)CC1 ZINC001334071201 976268321 /nfs/dbraw/zinc/26/83/21/976268321.db2.gz RAIFWOPWMPRVGS-UHFFFAOYSA-N 1 2 227.333 1.133 20 0 BDADLO Cc1nnc(C[NH2+]C(C)(C)CF)s1 ZINC001334218194 976386094 /nfs/dbraw/zinc/38/60/94/976386094.db2.gz TVQVCHXLPGIKRT-UHFFFAOYSA-N 1 2 203.286 1.684 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2ccc3nn[nH]c3c2)CC1 ZINC001228668060 976424824 /nfs/dbraw/zinc/42/48/24/976424824.db2.gz XLCSNZWRRXVBNU-JTQLQIEISA-N 1 2 246.314 1.821 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2ccc3nn[nH]c3c2)CC1 ZINC001228668060 976424831 /nfs/dbraw/zinc/42/48/31/976424831.db2.gz XLCSNZWRRXVBNU-JTQLQIEISA-N 1 2 246.314 1.821 20 0 BDADLO C[N@@H+]1CC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228666393 976426580 /nfs/dbraw/zinc/42/65/80/976426580.db2.gz XYDLVIHJVZIRQR-VIFPVBQESA-N 1 2 218.260 1.041 20 0 BDADLO C[N@H+]1CC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228666393 976426588 /nfs/dbraw/zinc/42/65/88/976426588.db2.gz XYDLVIHJVZIRQR-VIFPVBQESA-N 1 2 218.260 1.041 20 0 BDADLO CC(C)[N@@H+]1CC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228667242 976426972 /nfs/dbraw/zinc/42/69/72/976426972.db2.gz LFLZCFJGTMAJQS-NSHDSACASA-N 1 2 246.314 1.819 20 0 BDADLO CC(C)[N@H+]1CC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228667242 976426978 /nfs/dbraw/zinc/42/69/78/976426978.db2.gz LFLZCFJGTMAJQS-NSHDSACASA-N 1 2 246.314 1.819 20 0 BDADLO COC(=O)c1c(C)cccc1OC1C[NH+](C)C1 ZINC001228725649 976456908 /nfs/dbraw/zinc/45/69/08/976456908.db2.gz FOCURLRWUBJCBD-UHFFFAOYSA-N 1 2 235.283 1.474 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnn3c2CCC3)[nH]1 ZINC001334374789 976473241 /nfs/dbraw/zinc/47/32/41/976473241.db2.gz MRKJJRMNNWDKPG-MRVPVSSYSA-N 1 2 246.318 1.107 20 0 BDADLO CCn1ncc(C)c1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001334559219 976556822 /nfs/dbraw/zinc/55/68/22/976556822.db2.gz RRGXWPCFYDBFGD-JTQLQIEISA-N 1 2 247.302 1.608 20 0 BDADLO Cn1cc(Nc2cccn3cc[nH+]c23)ccc1=O ZINC001174354916 976594961 /nfs/dbraw/zinc/59/49/61/976594961.db2.gz JHWWHPPYKWNFOX-UHFFFAOYSA-N 1 2 240.266 1.777 20 0 BDADLO c1cn2cccc(Nc3cncnc3)c2[nH+]1 ZINC001174382929 976618693 /nfs/dbraw/zinc/61/86/93/976618693.db2.gz KKOOWXIDAODWHL-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(c2)OCC3)C1 ZINC001228995795 976628437 /nfs/dbraw/zinc/62/84/37/976628437.db2.gz YRDWICIJEPPIOE-UHFFFAOYSA-N 1 2 205.257 1.314 20 0 BDADLO C[C@H](C(=O)NC[C@@]1(C)CC1(F)F)n1cc[nH+]c1 ZINC001334783180 976659770 /nfs/dbraw/zinc/65/97/70/976659770.db2.gz SLJIHYXTPJWSQR-PSASIEDQSA-N 1 2 243.257 1.606 20 0 BDADLO Cc1ccc2ncnc(OC3C[NH+](C)C3)c2c1 ZINC001229055554 976687672 /nfs/dbraw/zinc/68/76/72/976687672.db2.gz HGKLEZVWDOHLJU-UHFFFAOYSA-N 1 2 229.283 1.631 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)n1 ZINC001334984742 976814908 /nfs/dbraw/zinc/81/49/08/976814908.db2.gz NHAYSRUUIBFBCQ-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO Cc1cccc2ncnc(OC3C[NH+](C)C3)c12 ZINC001229395376 976857690 /nfs/dbraw/zinc/85/76/90/976857690.db2.gz ZUCKFLUPOJZXRU-UHFFFAOYSA-N 1 2 229.283 1.631 20 0 BDADLO CC[NH+]1CC(Oc2cncc(OC(C)C)c2)C1 ZINC001229518913 976891958 /nfs/dbraw/zinc/89/19/58/976891958.db2.gz XLNHTVNWNKUHSG-UHFFFAOYSA-N 1 2 236.315 1.952 20 0 BDADLO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1F ZINC001277414324 976968352 /nfs/dbraw/zinc/96/83/52/976968352.db2.gz IETBEFODAPOJAZ-MFKMUULPSA-N 1 2 234.274 1.275 20 0 BDADLO NC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1F ZINC001277414324 976968361 /nfs/dbraw/zinc/96/83/61/976968361.db2.gz IETBEFODAPOJAZ-MFKMUULPSA-N 1 2 234.274 1.275 20 0 BDADLO C=CNc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001174782960 977002584 /nfs/dbraw/zinc/00/25/84/977002584.db2.gz MQLAAOVYMUCYKV-UHFFFAOYSA-N 1 2 248.326 1.953 20 0 BDADLO O=C1C[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)CO1 ZINC001229950447 977031393 /nfs/dbraw/zinc/03/13/93/977031393.db2.gz KRSHTPQNFWEKPN-LBPRGKRZSA-N 1 2 244.250 1.567 20 0 BDADLO C[C@H](CON)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954560 977037139 /nfs/dbraw/zinc/03/71/39/977037139.db2.gz QZWFQPAPZVYCEI-SNVBAGLBSA-N 1 2 233.271 1.530 20 0 BDADLO O=C1CC(Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229955264 977041683 /nfs/dbraw/zinc/04/16/83/977041683.db2.gz ZYEBZHYVVPHPFZ-UHFFFAOYSA-N 1 2 228.251 1.983 20 0 BDADLO CC(C)(C)C(=O)c1cn(CCn2cc[nH+]c2)nn1 ZINC001330796773 977062223 /nfs/dbraw/zinc/06/22/23/977062223.db2.gz XNYCUSLBNMQMBP-UHFFFAOYSA-N 1 2 247.302 1.404 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2ncco2)C1 ZINC000259989871 977132294 /nfs/dbraw/zinc/13/22/94/977132294.db2.gz LEDMFGLFHKONNO-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ncco2)C1 ZINC000259989871 977132303 /nfs/dbraw/zinc/13/23/03/977132303.db2.gz LEDMFGLFHKONNO-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc(F)ccc2O)C1 ZINC001230295288 977171992 /nfs/dbraw/zinc/17/19/92/977171992.db2.gz VCERBFHGHRSXBM-JTQLQIEISA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc(F)ccc2O)C1 ZINC001230295288 977171998 /nfs/dbraw/zinc/17/19/98/977171998.db2.gz VCERBFHGHRSXBM-JTQLQIEISA-N 1 2 241.262 1.241 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCC1 ZINC001335774299 977275592 /nfs/dbraw/zinc/27/55/92/977275592.db2.gz KTNFGAIKNVXKLP-UWVGGRQHSA-N 1 2 221.304 1.749 20 0 BDADLO CC[NH+]1CC(Oc2nn(C)c3ccccc32)C1 ZINC001230626709 977282562 /nfs/dbraw/zinc/28/25/62/977282562.db2.gz PZALKQBSPSXNAC-UHFFFAOYSA-N 1 2 231.299 1.656 20 0 BDADLO C[C@@H](O)CC(=O)Oc1[nH+]ccc2[nH]ccc21 ZINC001230689522 977291233 /nfs/dbraw/zinc/29/12/33/977291233.db2.gz XKSOVSXANZBRKM-SSDOTTSWSA-N 1 2 220.228 1.239 20 0 BDADLO CC[NH+]1CC(Oc2ccc3ccncc3n2)C1 ZINC001230729406 977318566 /nfs/dbraw/zinc/31/85/66/977318566.db2.gz VOYABQVFQMPYNJ-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO CC(=O)[C@@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920956 977385677 /nfs/dbraw/zinc/38/56/77/977385677.db2.gz ZTJXJMKYLDJHKS-SECBINFHSA-N 1 2 233.267 1.724 20 0 BDADLO Cc1ncncc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175338363 977385785 /nfs/dbraw/zinc/38/57/85/977385785.db2.gz DWPPKPZARICILL-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO C[C@H](O)C(=O)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231078426 977464502 /nfs/dbraw/zinc/46/45/02/977464502.db2.gz BYOSPNQJYCAEIL-VIFPVBQESA-N 1 2 246.266 1.373 20 0 BDADLO CCOC1CC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001336052939 977466704 /nfs/dbraw/zinc/46/67/04/977466704.db2.gz GDEMNHGMBCWHTD-RUETXSTFSA-N 1 2 249.314 1.026 20 0 BDADLO c1c[nH+]c(-c2ccc(OC3COCOC3)cc2)[nH]1 ZINC001231082254 977473637 /nfs/dbraw/zinc/47/36/37/977473637.db2.gz TZVWCPSLIOEMAA-UHFFFAOYSA-N 1 2 246.266 1.828 20 0 BDADLO CCc1coc(NC(=O)C[NH+]2CCCC2)n1 ZINC001336069240 977481248 /nfs/dbraw/zinc/48/12/48/977481248.db2.gz FPMVELVEOQNYGZ-UHFFFAOYSA-N 1 2 223.276 1.271 20 0 BDADLO COc1cncc(N=C2CCC[N@H+](C)C2)n1 ZINC001175575110 977568211 /nfs/dbraw/zinc/56/82/11/977568211.db2.gz KYNJBLBUUDAOEN-UHFFFAOYSA-N 1 2 220.276 1.117 20 0 BDADLO COc1cncc(N=C2CCC[N@@H+](C)C2)n1 ZINC001175575110 977568224 /nfs/dbraw/zinc/56/82/24/977568224.db2.gz KYNJBLBUUDAOEN-UHFFFAOYSA-N 1 2 220.276 1.117 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1(C)CC1 ZINC001336212249 977575378 /nfs/dbraw/zinc/57/53/78/977575378.db2.gz AHAHRNMSSMJOGX-UWVGGRQHSA-N 1 2 221.304 1.749 20 0 BDADLO Cc1c[nH+]c(Nc2cnc(N)nc2C)c(N)c1 ZINC001175666383 977645387 /nfs/dbraw/zinc/64/53/87/977645387.db2.gz ULNXJMKBVZWJCU-UHFFFAOYSA-N 1 2 230.275 1.396 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@H](O)C2)[nH+]1 ZINC001336438814 977684578 /nfs/dbraw/zinc/68/45/78/977684578.db2.gz HYLKTDSOSIARIV-SNVBAGLBSA-N 1 2 210.252 1.490 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)n1 ZINC001231674308 977686878 /nfs/dbraw/zinc/68/68/78/977686878.db2.gz OBOWSGRJSRCGHT-AOOOYVTPSA-N 1 2 220.272 1.069 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)n1 ZINC001231674308 977686887 /nfs/dbraw/zinc/68/68/87/977686887.db2.gz OBOWSGRJSRCGHT-AOOOYVTPSA-N 1 2 220.272 1.069 20 0 BDADLO Cc1cc(F)cc(N2CCO[C@H](C)C2)[nH+]1 ZINC001336466523 977704639 /nfs/dbraw/zinc/70/46/39/977704639.db2.gz TULPYCHJELSMSK-SECBINFHSA-N 1 2 210.252 1.754 20 0 BDADLO C[C@@H](C(=O)NCCC1CC=CC1)n1cc[nH+]c1 ZINC001336531496 977751574 /nfs/dbraw/zinc/75/15/74/977751574.db2.gz NNHWQTNPADFCSE-NSHDSACASA-N 1 2 233.315 1.917 20 0 BDADLO C[C@H](C(=O)NCCC1CC=CC1)n1cc[nH+]c1 ZINC001336531493 977755004 /nfs/dbraw/zinc/75/50/04/977755004.db2.gz NNHWQTNPADFCSE-LLVKDONJSA-N 1 2 233.315 1.917 20 0 BDADLO C[C@@H]1CCN(c2cc(N)nc[nH+]2)CC1(C)C ZINC001336575769 977794181 /nfs/dbraw/zinc/79/41/81/977794181.db2.gz BVDBTXWEAFAYEP-SECBINFHSA-N 1 2 220.320 1.931 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(Cl)cnc2F)C[C@@H]1O ZINC001231991060 977826487 /nfs/dbraw/zinc/82/64/87/977826487.db2.gz PSSUOEWXLUAUHD-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(Cl)cnc2F)C[C@@H]1O ZINC001231991060 977826494 /nfs/dbraw/zinc/82/64/94/977826494.db2.gz PSSUOEWXLUAUHD-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(C)nc(C)c2)C[C@@H]1F ZINC001231994991 977827677 /nfs/dbraw/zinc/82/76/77/977827677.db2.gz FDUGNJMIVGEINM-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(C)nc(C)c2)C[C@@H]1F ZINC001231994991 977827681 /nfs/dbraw/zinc/82/76/81/977827681.db2.gz FDUGNJMIVGEINM-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO CCc1ccc(N2CC[C@](O)(C(F)F)C2)[nH+]c1 ZINC001336653028 977833389 /nfs/dbraw/zinc/83/33/89/977833389.db2.gz PFGIGZKFKCZDOC-GFCCVEGCSA-N 1 2 242.269 1.850 20 0 BDADLO Cc1cc(F)cc(N2CCC(=O)N(C)CC2)[nH+]1 ZINC001336679251 977850934 /nfs/dbraw/zinc/85/09/34/977850934.db2.gz JDUXCKUDICGIBX-UHFFFAOYSA-N 1 2 237.278 1.198 20 0 BDADLO Oc1cncc(C[NH+]2CCSCC2)c1 ZINC001232040935 977866119 /nfs/dbraw/zinc/86/61/19/977866119.db2.gz VUHGYBVQKYGOLV-UHFFFAOYSA-N 1 2 210.302 1.336 20 0 BDADLO COc1nc(C)cnc1Nc1[nH]cc[nH+]1 ZINC001176081954 977875400 /nfs/dbraw/zinc/87/54/00/977875400.db2.gz LXKMDVCUHNCWST-UHFFFAOYSA-N 1 2 205.221 1.260 20 0 BDADLO c1cn2ccnc(Nc3[nH]cc[nH+]3)c2n1 ZINC001176081829 977875635 /nfs/dbraw/zinc/87/56/35/977875635.db2.gz GPQSORIFSALPFV-UHFFFAOYSA-N 1 2 200.205 1.196 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c(C)n1 ZINC001232084972 977886508 /nfs/dbraw/zinc/88/65/08/977886508.db2.gz WJRATWOMFVHHGE-KBPBESRZSA-N 1 2 231.343 1.587 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(C)n1 ZINC001232084972 977886510 /nfs/dbraw/zinc/88/65/10/977886510.db2.gz WJRATWOMFVHHGE-KBPBESRZSA-N 1 2 231.343 1.587 20 0 BDADLO Cc1ccc(C[N@@H+](C)C2COC2)c(C)n1 ZINC001232084001 977887007 /nfs/dbraw/zinc/88/70/07/977887007.db2.gz SOCSSQVWSLAEFF-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO Cc1ccc(C[N@H+](C)C2COC2)c(C)n1 ZINC001232084001 977887008 /nfs/dbraw/zinc/88/70/08/977887008.db2.gz SOCSSQVWSLAEFF-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO COc1cc2c(ccn2-c2[nH]cc[nH+]2)c(N)c1 ZINC001176090721 977894203 /nfs/dbraw/zinc/89/42/03/977894203.db2.gz OIONRDAXQGLXDL-UHFFFAOYSA-N 1 2 228.255 1.944 20 0 BDADLO CC[N@H+](Cc1cn(C)nc1C1CC1)C1COC1 ZINC001232169282 977903372 /nfs/dbraw/zinc/90/33/72/977903372.db2.gz KBLNDGVZLCWWJE-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO CC[N@@H+](Cc1cn(C)nc1C1CC1)C1COC1 ZINC001232169282 977903379 /nfs/dbraw/zinc/90/33/79/977903379.db2.gz KBLNDGVZLCWWJE-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO COc1cc[nH+]cc1-n1nc2ncccc2c1N ZINC001176117277 977943966 /nfs/dbraw/zinc/94/39/66/977943966.db2.gz ZDRTWLUFXRAFBF-UHFFFAOYSA-N 1 2 241.254 1.406 20 0 BDADLO COc1cc[nH+]cc1Nc1cc2n(n1)CCCO2 ZINC001176118285 977944516 /nfs/dbraw/zinc/94/45/16/977944516.db2.gz FHLGTUFZJVHISJ-UHFFFAOYSA-N 1 2 246.270 1.813 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc2cccnn21 ZINC001176118064 977947499 /nfs/dbraw/zinc/94/74/99/977947499.db2.gz AHFCAEKAJQLELB-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO COCc1cccc(C[N@@H+]2CCOC3(CC3)C2)n1 ZINC001232256780 977978877 /nfs/dbraw/zinc/97/88/77/977978877.db2.gz DDQPYUXZSCQWQJ-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO COCc1cccc(C[N@H+]2CCOC3(CC3)C2)n1 ZINC001232256780 977978880 /nfs/dbraw/zinc/97/88/80/977978880.db2.gz DDQPYUXZSCQWQJ-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC001232348371 978027805 /nfs/dbraw/zinc/02/78/05/978027805.db2.gz GOQRUAZUBMNJBD-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO COc1cc(C)c(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC001232348371 978027817 /nfs/dbraw/zinc/02/78/17/978027817.db2.gz GOQRUAZUBMNJBD-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO Cc1c[nH+]c(Nc2cnc(N(C)C)nc2)c(N)c1 ZINC001176329842 978029607 /nfs/dbraw/zinc/02/96/07/978029607.db2.gz FGJSTUDFMQWJDD-UHFFFAOYSA-N 1 2 244.302 1.572 20 0 BDADLO COc1cc[nH+]c(Nc2cnc(N(C)C)nc2)c1 ZINC001176330047 978029661 /nfs/dbraw/zinc/02/96/61/978029661.db2.gz OUFVNIQGZPSCRX-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CCCC23COC3)cn1 ZINC001232352019 978030441 /nfs/dbraw/zinc/03/04/41/978030441.db2.gz CDSACNYWJNNPRG-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1cc(C)c(C[N@H+]2CCCC23COC3)cn1 ZINC001232352019 978030447 /nfs/dbraw/zinc/03/04/47/978030447.db2.gz CDSACNYWJNNPRG-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO Nc1ccc(C[N@@H+]2CCc3cccnc3C2)cn1 ZINC001232368851 978041333 /nfs/dbraw/zinc/04/13/33/978041333.db2.gz DQPKSSFERXXJGI-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1ccc(C[N@H+]2CCc3cccnc3C2)cn1 ZINC001232368851 978041345 /nfs/dbraw/zinc/04/13/45/978041345.db2.gz DQPKSSFERXXJGI-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2[nH]nc3c2CCC3)CCC1=O ZINC001232424904 978067698 /nfs/dbraw/zinc/06/76/98/978067698.db2.gz ORGNSOJGGJFFRN-SNVBAGLBSA-N 1 2 247.342 1.699 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2[nH]nc3c2CCC3)CCC1=O ZINC001232424904 978067708 /nfs/dbraw/zinc/06/77/08/978067708.db2.gz ORGNSOJGGJFFRN-SNVBAGLBSA-N 1 2 247.342 1.699 20 0 BDADLO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1cccnc1 ZINC001232428969 978068631 /nfs/dbraw/zinc/06/86/31/978068631.db2.gz YYCGSFJWJSRVKF-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1cccnc1 ZINC001232428969 978068643 /nfs/dbraw/zinc/06/86/43/978068643.db2.gz YYCGSFJWJSRVKF-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232430455 978071342 /nfs/dbraw/zinc/07/13/42/978071342.db2.gz ASIHZBPCHIKXOL-ZDUSSCGKSA-N 1 2 233.315 1.452 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232430455 978071349 /nfs/dbraw/zinc/07/13/49/978071349.db2.gz ASIHZBPCHIKXOL-ZDUSSCGKSA-N 1 2 233.315 1.452 20 0 BDADLO Cc1[nH]c(CN2CCCC(=O)CC2)c[nH+]1 ZINC001232459399 978090026 /nfs/dbraw/zinc/09/00/26/978090026.db2.gz HNWVPXKFZBZXFS-UHFFFAOYSA-N 1 2 207.277 1.273 20 0 BDADLO Cc1[nH]cc(CN2CCCC(=O)CC2)[nH+]1 ZINC001232459399 978090033 /nfs/dbraw/zinc/09/00/33/978090033.db2.gz HNWVPXKFZBZXFS-UHFFFAOYSA-N 1 2 207.277 1.273 20 0 BDADLO COc1cc(Nc2cnn(CCO)c2)cc(C)[nH+]1 ZINC001176473553 978093735 /nfs/dbraw/zinc/09/37/35/978093735.db2.gz IVSGUZQUYVXJJY-UHFFFAOYSA-N 1 2 248.286 1.331 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)[nH]1 ZINC001232460500 978097966 /nfs/dbraw/zinc/09/79/66/978097966.db2.gz SCJJKTJXGJMAFN-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)[nH]1 ZINC001232460500 978097983 /nfs/dbraw/zinc/09/79/83/978097983.db2.gz SCJJKTJXGJMAFN-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c[nH]1 ZINC001232460500 978097994 /nfs/dbraw/zinc/09/79/94/978097994.db2.gz SCJJKTJXGJMAFN-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c[nH]1 ZINC001232460500 978098003 /nfs/dbraw/zinc/09/80/03/978098003.db2.gz SCJJKTJXGJMAFN-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)C(C)(C)C2)c[nH+]1 ZINC001232463411 978112995 /nfs/dbraw/zinc/11/29/95/978112995.db2.gz ICALXNFRTWMTCF-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)C(C)(C)C2)[nH+]1 ZINC001232463411 978113002 /nfs/dbraw/zinc/11/30/02/978113002.db2.gz ICALXNFRTWMTCF-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]c(CN2CCC[C@@H]2c2ncccn2)c[nH+]1 ZINC001232468006 978116454 /nfs/dbraw/zinc/11/64/54/978116454.db2.gz JWPVBEIMWDYZGP-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1[nH]cc(CN2CCC[C@@H]2c2ncccn2)[nH+]1 ZINC001232468006 978116463 /nfs/dbraw/zinc/11/64/63/978116463.db2.gz JWPVBEIMWDYZGP-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1cccc(F)c1C[N@@H+](C)CC(=O)N(C)C ZINC001232483079 978136407 /nfs/dbraw/zinc/13/64/07/978136407.db2.gz BDYFQUUFVXDMCL-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO Cc1cccc(F)c1C[N@H+](C)CC(=O)N(C)C ZINC001232483079 978136419 /nfs/dbraw/zinc/13/64/19/978136419.db2.gz BDYFQUUFVXDMCL-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2CC(C)C)[nH]n1 ZINC001337033109 978137305 /nfs/dbraw/zinc/13/73/05/978137305.db2.gz OMENUHSBAWAWAC-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2CC(C)C)[nH]n1 ZINC001337033109 978137308 /nfs/dbraw/zinc/13/73/08/978137308.db2.gz OMENUHSBAWAWAC-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(F)ccn2)CC[C@H]1F ZINC001232490665 978145093 /nfs/dbraw/zinc/14/50/93/978145093.db2.gz NBRXSKDGFMIOKK-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(F)ccn2)CC[C@H]1F ZINC001232490665 978145094 /nfs/dbraw/zinc/14/50/94/978145094.db2.gz NBRXSKDGFMIOKK-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO Nc1ccc(F)cc1CN1CCn2c[nH+]cc2C1 ZINC001232512296 978157512 /nfs/dbraw/zinc/15/75/12/978157512.db2.gz NENHTTSCHLBNAR-UHFFFAOYSA-N 1 2 246.289 1.620 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001232508182 978157991 /nfs/dbraw/zinc/15/79/91/978157991.db2.gz YJGVMGODNIKRHR-MNOVXSKESA-N 1 2 242.269 1.313 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC001232508182 978157995 /nfs/dbraw/zinc/15/79/95/978157995.db2.gz YJGVMGODNIKRHR-MNOVXSKESA-N 1 2 242.269 1.313 20 0 BDADLO CC[C@@H](F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001337140483 978180860 /nfs/dbraw/zinc/18/08/60/978180860.db2.gz OWVPDRAEOAJQRI-NXEZZACHSA-N 1 2 227.283 1.384 20 0 BDADLO CC[C@H](F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001337140486 978181569 /nfs/dbraw/zinc/18/15/69/978181569.db2.gz OWVPDRAEOAJQRI-ZJUUUORDSA-N 1 2 227.283 1.384 20 0 BDADLO CCc1ncoc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001337144012 978183911 /nfs/dbraw/zinc/18/39/11/978183911.db2.gz XBAMRKYJAKPEBY-UHFFFAOYSA-N 1 2 246.270 1.131 20 0 BDADLO CC(=O)c1ncccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176827598 978190446 /nfs/dbraw/zinc/19/04/46/978190446.db2.gz ORQJGRHSKKLIOU-UHFFFAOYSA-N 1 2 244.254 1.189 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc2c(c1)CCO2 ZINC001176832132 978197777 /nfs/dbraw/zinc/19/77/77/978197777.db2.gz JOLBGJPGWCXEOF-UHFFFAOYSA-N 1 2 243.266 1.526 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cncc2cnccc21 ZINC001232649973 978209362 /nfs/dbraw/zinc/20/93/62/978209362.db2.gz OYJBBKFUBPWMSO-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cncc2cnccc21 ZINC001232649973 978209373 /nfs/dbraw/zinc/20/93/73/978209373.db2.gz OYJBBKFUBPWMSO-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]1C1CC1 ZINC001176883780 978225820 /nfs/dbraw/zinc/22/58/20/978225820.db2.gz MZWMHPXZBUMKNT-MNOVXSKESA-N 1 2 219.288 1.188 20 0 BDADLO Cc1nnc2n1CC[N@@H+](C/C=C/Cl)[C@@H]2C ZINC001177043800 978276407 /nfs/dbraw/zinc/27/64/07/978276407.db2.gz DQTBUQBRVMGQMF-MPJRPATESA-N 1 2 226.711 1.716 20 0 BDADLO Cc1nnc2n1CC[N@H+](C/C=C/Cl)[C@@H]2C ZINC001177043800 978276414 /nfs/dbraw/zinc/27/64/14/978276414.db2.gz DQTBUQBRVMGQMF-MPJRPATESA-N 1 2 226.711 1.716 20 0 BDADLO CCCn1cnc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001232800871 978291441 /nfs/dbraw/zinc/29/14/41/978291441.db2.gz XQCYYPAWWIXRPP-ZDUSSCGKSA-N 1 2 235.331 1.658 20 0 BDADLO CCCn1cnc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001232800871 978291458 /nfs/dbraw/zinc/29/14/58/978291458.db2.gz XQCYYPAWWIXRPP-ZDUSSCGKSA-N 1 2 235.331 1.658 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H]1CCCCS1 ZINC001597239203 978300362 /nfs/dbraw/zinc/30/03/62/978300362.db2.gz QMVZXNNYJSWYTK-WDEREUQCSA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H]1CCCCS1 ZINC001597239203 978300372 /nfs/dbraw/zinc/30/03/72/978300372.db2.gz QMVZXNNYJSWYTK-WDEREUQCSA-N 1 2 242.388 1.483 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccns2)c1 ZINC001597485916 978336462 /nfs/dbraw/zinc/33/64/62/978336462.db2.gz FQWCKINSNXYCBN-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO CN(CC(=O)N[C@H]1CC=CCC1)c1cccc[nH+]1 ZINC001177416482 978352945 /nfs/dbraw/zinc/35/29/45/978352945.db2.gz DOZXLYZCQREUJJ-LBPRGKRZSA-N 1 2 245.326 1.743 20 0 BDADLO CN(CC(=O)Nc1cnoc1)c1cccc[nH+]1 ZINC001177408312 978352995 /nfs/dbraw/zinc/35/29/95/978352995.db2.gz BRFPFERYMFFOMJ-UHFFFAOYSA-N 1 2 232.243 1.145 20 0 BDADLO CN(CC(=O)N1C2CCC1CC2)c1cccc[nH+]1 ZINC001177412566 978354424 /nfs/dbraw/zinc/35/44/24/978354424.db2.gz RLESVESMXOEKCV-UHFFFAOYSA-N 1 2 245.326 1.671 20 0 BDADLO O=C(Cc1ccon1)Nc1cc[nH+]c2c1CCC2 ZINC001177509416 978374959 /nfs/dbraw/zinc/37/49/59/978374959.db2.gz TUNZUIIDSYLWFZ-UHFFFAOYSA-N 1 2 243.266 1.161 20 0 BDADLO Cc1cccnc1[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001337565249 978410207 /nfs/dbraw/zinc/41/02/07/978410207.db2.gz SMGPHTBBNNCFAZ-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)cn1 ZINC001233011968 978414963 /nfs/dbraw/zinc/41/49/63/978414963.db2.gz LFFXOCGXWSZITF-KBPBESRZSA-N 1 2 231.343 1.587 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cnc(C)s2)n1 ZINC001177737582 978426910 /nfs/dbraw/zinc/42/69/10/978426910.db2.gz SLGRJPPIOAUILE-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO C[N@H+](Cc1[nH]nc2cc(F)ccc21)C1COC1 ZINC001233123074 978472354 /nfs/dbraw/zinc/47/23/54/978472354.db2.gz HMSXYNPJQMFWRS-UHFFFAOYSA-N 1 2 235.262 1.533 20 0 BDADLO C[N@@H+](Cc1[nH]nc2cc(F)ccc21)C1COC1 ZINC001233123074 978472358 /nfs/dbraw/zinc/47/23/58/978472358.db2.gz HMSXYNPJQMFWRS-UHFFFAOYSA-N 1 2 235.262 1.533 20 0 BDADLO C[C@H](C(=O)Nc1cnoc1)n1cc[nH+]c1 ZINC001177921619 978472573 /nfs/dbraw/zinc/47/25/73/978472573.db2.gz IAXWUKKTMZNCHH-SSDOTTSWSA-N 1 2 206.205 1.071 20 0 BDADLO Cc1ncc(NC(=O)[C@@H](C)n2cc[nH+]c2)cn1 ZINC001177922620 978474506 /nfs/dbraw/zinc/47/45/06/978474506.db2.gz YKWANNWBIUTVDQ-MRVPVSSYSA-N 1 2 231.259 1.181 20 0 BDADLO C[C@H](C(=O)NCc1ccncc1F)n1cc[nH+]c1 ZINC001177926437 978476415 /nfs/dbraw/zinc/47/64/15/978476415.db2.gz DCNREGBQPIZKPX-SECBINFHSA-N 1 2 248.261 1.295 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cc(C)c[nH]c1=O ZINC001233191916 978489342 /nfs/dbraw/zinc/48/93/42/978489342.db2.gz SCJASCZGHVLHBV-UHFFFAOYSA-N 1 2 238.287 1.091 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cc(C)c[nH]c1=O ZINC001233191916 978489346 /nfs/dbraw/zinc/48/93/46/978489346.db2.gz SCJASCZGHVLHBV-UHFFFAOYSA-N 1 2 238.287 1.091 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc[nH]1 ZINC001177994168 978493551 /nfs/dbraw/zinc/49/35/51/978493551.db2.gz SBSAZZWWLPOJNX-UHFFFAOYSA-N 1 2 204.233 1.309 20 0 BDADLO CCCN(CCOC)C(=O)CCc1[nH]cc[nH+]1 ZINC001177990646 978493682 /nfs/dbraw/zinc/49/36/82/978493682.db2.gz XFYJTEZWTOKQSZ-UHFFFAOYSA-N 1 2 239.319 1.227 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001177995282 978494235 /nfs/dbraw/zinc/49/42/35/978494235.db2.gz ZDHVUFDQQRMKMP-LPEHRKFASA-N 1 2 237.278 1.301 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)c(O)c2)C[C@@H]1F ZINC001233230961 978501382 /nfs/dbraw/zinc/50/13/82/978501382.db2.gz ONNLQVRAPDGZNC-AAEUAGOBSA-N 1 2 239.290 1.869 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)c(O)c2)C[C@@H]1F ZINC001233230961 978501390 /nfs/dbraw/zinc/50/13/90/978501390.db2.gz ONNLQVRAPDGZNC-AAEUAGOBSA-N 1 2 239.290 1.869 20 0 BDADLO CCN1C[C@@H](C[N@@H+]2CCC[C@H](F)C2)OC1=O ZINC001337811268 978507984 /nfs/dbraw/zinc/50/79/84/978507984.db2.gz ZKIFNCBMYWVGOZ-VHSXEESVSA-N 1 2 230.283 1.261 20 0 BDADLO CCN1C[C@@H](C[N@H+]2CCC[C@H](F)C2)OC1=O ZINC001337811268 978507998 /nfs/dbraw/zinc/50/79/98/978507998.db2.gz ZKIFNCBMYWVGOZ-VHSXEESVSA-N 1 2 230.283 1.261 20 0 BDADLO CCN1C[C@H](C[N@@H+]2CCC[C@@H](F)C2)OC1=O ZINC001337811269 978509480 /nfs/dbraw/zinc/50/94/80/978509480.db2.gz ZKIFNCBMYWVGOZ-ZJUUUORDSA-N 1 2 230.283 1.261 20 0 BDADLO CCN1C[C@H](C[N@H+]2CCC[C@@H](F)C2)OC1=O ZINC001337811269 978509486 /nfs/dbraw/zinc/50/94/86/978509486.db2.gz ZKIFNCBMYWVGOZ-ZJUUUORDSA-N 1 2 230.283 1.261 20 0 BDADLO Nc1cc(N2CC[C@H](C3CCOCC3)C2)[nH+]cn1 ZINC001337818220 978510840 /nfs/dbraw/zinc/51/08/40/978510840.db2.gz GCADDGNFNWLQBM-NSHDSACASA-N 1 2 248.330 1.312 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@H]2CCO)[nH+]1 ZINC001337844322 978523656 /nfs/dbraw/zinc/52/36/56/978523656.db2.gz QDJCIRVLSCRKIE-LLVKDONJSA-N 1 2 224.279 1.880 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc2c1CCO2 ZINC001233277322 978530691 /nfs/dbraw/zinc/53/06/91/978530691.db2.gz XFMLPYAOFUDDQS-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc2c1CCO2 ZINC001233277322 978530697 /nfs/dbraw/zinc/53/06/97/978530697.db2.gz XFMLPYAOFUDDQS-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001337861805 978532736 /nfs/dbraw/zinc/53/27/36/978532736.db2.gz JKFMVPADMDVYDF-SNVBAGLBSA-N 1 2 209.293 1.701 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@](C)(O)C2)[nH+]1 ZINC001337923833 978566429 /nfs/dbraw/zinc/56/64/29/978566429.db2.gz WCBQNDXSWVWPLV-LBPRGKRZSA-N 1 2 224.279 1.880 20 0 BDADLO c1cn2c(cccc2CN2CCCO2)[nH+]1 ZINC001233360757 978570318 /nfs/dbraw/zinc/57/03/18/978570318.db2.gz COXZXVMCELOXCZ-UHFFFAOYSA-N 1 2 203.245 1.472 20 0 BDADLO Cc1cc(F)cc(N2CC[C@]3(CNC(=O)C3)C2)[nH+]1 ZINC001337962640 978580289 /nfs/dbraw/zinc/58/02/89/978580289.db2.gz RGRMKDDTESAAPP-ZDUSSCGKSA-N 1 2 249.289 1.246 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446618 978602065 /nfs/dbraw/zinc/60/20/65/978602065.db2.gz BTRIWAQIAFDKLP-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446618 978602067 /nfs/dbraw/zinc/60/20/67/978602067.db2.gz BTRIWAQIAFDKLP-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO CCC[C@H](O)CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178670215 978606362 /nfs/dbraw/zinc/60/63/62/978606362.db2.gz UUAHNZGXBXGJTC-JTQLQIEISA-N 1 2 239.319 1.139 20 0 BDADLO CCC[C@H](O)CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178670215 978606367 /nfs/dbraw/zinc/60/63/67/978606367.db2.gz UUAHNZGXBXGJTC-JTQLQIEISA-N 1 2 239.319 1.139 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2cncc(Cl)n2)C1 ZINC001233450914 978606822 /nfs/dbraw/zinc/60/68/22/978606822.db2.gz OJHRBGUBNUIPCO-MRVPVSSYSA-N 1 2 241.722 1.597 20 0 BDADLO CCc1ccc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH+]c1 ZINC001338084674 978609832 /nfs/dbraw/zinc/60/98/32/978609832.db2.gz QGUYNPFZGQIACV-XQQFMLRXSA-N 1 2 232.327 1.851 20 0 BDADLO Cc1ncnc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178691949 978610586 /nfs/dbraw/zinc/61/05/86/978610586.db2.gz UCKDPQFLCJVFMI-NSHDSACASA-N 1 2 248.330 1.516 20 0 BDADLO Cc1ncnc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178691949 978610596 /nfs/dbraw/zinc/61/05/96/978610596.db2.gz UCKDPQFLCJVFMI-NSHDSACASA-N 1 2 248.330 1.516 20 0 BDADLO C/C=C(\C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233560867 978624594 /nfs/dbraw/zinc/62/45/94/978624594.db2.gz NCPBLIXKLOITMI-LLMHMKPQSA-N 1 2 228.311 1.455 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001178956500 978650373 /nfs/dbraw/zinc/65/03/73/978650373.db2.gz JYHJSMAOKLPZTG-UWVGGRQHSA-N 1 2 246.310 1.356 20 0 BDADLO C[NH+]1CC(Oc2nc3cccc4c3n2CCC4)C1 ZINC001233799702 978698597 /nfs/dbraw/zinc/69/85/97/978698597.db2.gz SJBVPJULLAMIRP-UHFFFAOYSA-N 1 2 243.310 1.675 20 0 BDADLO COc1nscc1NCc1c[nH+]cn1C ZINC001179493524 978710917 /nfs/dbraw/zinc/71/09/17/978710917.db2.gz CBWUKXNXFFOAOQ-UHFFFAOYSA-N 1 2 224.289 1.497 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233964672 978742535 /nfs/dbraw/zinc/74/25/35/978742535.db2.gz QHYYGGSOQHFTTM-UHFFFAOYSA-N 1 2 244.294 1.507 20 0 BDADLO COC1CC(C(=O)Nc2c(C)c[nH+]cc2C)C1 ZINC001338989356 978766269 /nfs/dbraw/zinc/76/62/69/978766269.db2.gz XDDAVGUPDVVPMI-UHFFFAOYSA-N 1 2 234.299 1.484 20 0 BDADLO CC(C)(F)CNC(=O)NCc1ccc[nH+]c1N ZINC001234168638 978785909 /nfs/dbraw/zinc/78/59/09/978785909.db2.gz AZUSHCUKIBBERD-UHFFFAOYSA-N 1 2 240.282 1.211 20 0 BDADLO CCC(=O)C[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001277852451 978825610 /nfs/dbraw/zinc/82/56/10/978825610.db2.gz WAEYJWNIHZLJRV-UHFFFAOYSA-N 1 2 247.342 1.111 20 0 BDADLO CC[NH+]1CC(Oc2nc3c(cccc3O)[nH]2)C1 ZINC001234449193 978838985 /nfs/dbraw/zinc/83/89/85/978838985.db2.gz JQNWVULCCDVUPI-UHFFFAOYSA-N 1 2 233.271 1.351 20 0 BDADLO O=C([O-])[C@@H]1CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001601794500 978850840 /nfs/dbraw/zinc/85/08/40/978850840.db2.gz WOLTYQKXGYEIFN-GMTAPVOTSA-N 1 2 249.314 1.041 20 0 BDADLO Cc1ccc(C(C)(C)C(=O)NC2C[NH+](C)C2)cc1 ZINC001180605358 978921342 /nfs/dbraw/zinc/92/13/42/978921342.db2.gz LMFDCQVKFDLFTE-UHFFFAOYSA-N 1 2 246.354 1.703 20 0 BDADLO C[C@H](O)C(C)(C)CNc1cc(N(C)C)nc[nH+]1 ZINC001339869123 978928804 /nfs/dbraw/zinc/92/88/04/978928804.db2.gz LWNADRONMIWFFM-VIFPVBQESA-N 1 2 238.335 1.362 20 0 BDADLO C[C@H](O)C(C)(C)CNc1cc(N(C)C)[nH+]cn1 ZINC001339869123 978928809 /nfs/dbraw/zinc/92/88/09/978928809.db2.gz LWNADRONMIWFFM-VIFPVBQESA-N 1 2 238.335 1.362 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235003031 978948034 /nfs/dbraw/zinc/94/80/34/978948034.db2.gz DKGOLMGJFQRVAD-SECBINFHSA-N 1 2 225.267 1.084 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235003031 978948036 /nfs/dbraw/zinc/94/80/36/978948036.db2.gz DKGOLMGJFQRVAD-SECBINFHSA-N 1 2 225.267 1.084 20 0 BDADLO C[C@H]1CCCC[N@@H+]1Cc1ncc(F)cn1 ZINC001235002149 978948434 /nfs/dbraw/zinc/94/84/34/978948434.db2.gz YBHWOYDBVNWPIN-VIFPVBQESA-N 1 2 209.268 1.990 20 0 BDADLO C[C@H]1CCCC[N@H+]1Cc1ncc(F)cn1 ZINC001235002149 978948443 /nfs/dbraw/zinc/94/84/43/978948443.db2.gz YBHWOYDBVNWPIN-VIFPVBQESA-N 1 2 209.268 1.990 20 0 BDADLO Fc1cnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)nc1 ZINC001235007244 978950842 /nfs/dbraw/zinc/95/08/42/978950842.db2.gz RRCJZVKGBDCUTA-GFCCVEGCSA-N 1 2 237.278 1.228 20 0 BDADLO Fc1cnc(C[N@H+]2CC[C@@]3(CCOC3)C2)nc1 ZINC001235007244 978950849 /nfs/dbraw/zinc/95/08/49/978950849.db2.gz RRCJZVKGBDCUTA-GFCCVEGCSA-N 1 2 237.278 1.228 20 0 BDADLO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ncc(F)cn1 ZINC001235008056 978951362 /nfs/dbraw/zinc/95/13/62/978951362.db2.gz VCGRQOMMPSYAPS-VHSXEESVSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ncc(F)cn1 ZINC001235008056 978951366 /nfs/dbraw/zinc/95/13/66/978951366.db2.gz VCGRQOMMPSYAPS-VHSXEESVSA-N 1 2 239.294 1.209 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001235012163 978952907 /nfs/dbraw/zinc/95/29/07/978952907.db2.gz YSUIRQOQWGCCBB-NSHDSACASA-N 1 2 239.294 1.617 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001235012163 978952910 /nfs/dbraw/zinc/95/29/10/978952910.db2.gz YSUIRQOQWGCCBB-NSHDSACASA-N 1 2 239.294 1.617 20 0 BDADLO CCc1cccc(C[N@@H+](CC)C2COC2)n1 ZINC001235261875 979014208 /nfs/dbraw/zinc/01/42/08/979014208.db2.gz UURTWKTZLKONSR-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1cccc(C[N@H+](CC)C2COC2)n1 ZINC001235261875 979014209 /nfs/dbraw/zinc/01/42/09/979014209.db2.gz UURTWKTZLKONSR-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO CN(C(=O)Cc1cc[nH+]c(N)c1)C(C)(C)C ZINC001181249425 979019802 /nfs/dbraw/zinc/01/98/02/979019802.db2.gz YPHHMVBRCLYEGD-UHFFFAOYSA-N 1 2 221.304 1.463 20 0 BDADLO COCC[N@H+](C)Cc1cc(C)cnc1F ZINC001235332680 979028004 /nfs/dbraw/zinc/02/80/04/979028004.db2.gz RISUKOUEDGAHMI-UHFFFAOYSA-N 1 2 212.268 1.607 20 0 BDADLO COCC[N@@H+](C)Cc1cc(C)cnc1F ZINC001235332680 979028010 /nfs/dbraw/zinc/02/80/10/979028010.db2.gz RISUKOUEDGAHMI-UHFFFAOYSA-N 1 2 212.268 1.607 20 0 BDADLO Clc1cnc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)nc1 ZINC001235404436 979037832 /nfs/dbraw/zinc/03/78/32/979037832.db2.gz AOQJXQDCHJMRKG-DTORHVGOSA-N 1 2 239.706 1.208 20 0 BDADLO Clc1cnc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)nc1 ZINC001235404436 979037841 /nfs/dbraw/zinc/03/78/41/979037841.db2.gz AOQJXQDCHJMRKG-DTORHVGOSA-N 1 2 239.706 1.208 20 0 BDADLO CC[N@H+](Cc1cncc(OC)c1C)C1COC1 ZINC001235464988 979050461 /nfs/dbraw/zinc/05/04/61/979050461.db2.gz RGJLLFXCBOEYRM-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO CC[N@@H+](Cc1cncc(OC)c1C)C1COC1 ZINC001235464988 979050470 /nfs/dbraw/zinc/05/04/70/979050470.db2.gz RGJLLFXCBOEYRM-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO [NH3+][C@@H](CC(=O)NCCC[C@H]1C=CCC1)C(F)F ZINC001340940524 979169934 /nfs/dbraw/zinc/16/99/34/979169934.db2.gz LDCIOJFCIYNYFY-UWVGGRQHSA-N 1 2 246.301 1.832 20 0 BDADLO CC(=O)NCCc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001250016760 979268905 /nfs/dbraw/zinc/26/89/05/979268905.db2.gz MUIAEBDTQHYOBN-UHFFFAOYSA-N 1 2 229.283 1.755 20 0 BDADLO c1cn2cc(-c3cnc4nonc4c3)ccc2[nH+]1 ZINC001236020427 979313394 /nfs/dbraw/zinc/31/33/94/979313394.db2.gz YRJQELKRNBOWET-UHFFFAOYSA-N 1 2 237.222 1.933 20 0 BDADLO Sc1ccc(CN(C2CC2)C2C[NH2+]C2)cc1 ZINC001236064005 979357555 /nfs/dbraw/zinc/35/75/55/979357555.db2.gz MCAJYESUNPPANW-UHFFFAOYSA-N 1 2 234.368 1.912 20 0 BDADLO CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001603350956 979444696 /nfs/dbraw/zinc/44/46/96/979444696.db2.gz OWUSYXTXPWWWTI-JTQLQIEISA-N 1 2 228.336 1.171 20 0 BDADLO CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001603350956 979444703 /nfs/dbraw/zinc/44/47/03/979444703.db2.gz OWUSYXTXPWWWTI-JTQLQIEISA-N 1 2 228.336 1.171 20 0 BDADLO C[N@H+](CCO)Cc1cc(F)c(F)c(F)c1F ZINC001236257275 979462872 /nfs/dbraw/zinc/46/28/72/979462872.db2.gz YMQUZTJZUZOYIG-UHFFFAOYSA-N 1 2 237.196 1.667 20 0 BDADLO C[N@@H+](CCO)Cc1cc(F)c(F)c(F)c1F ZINC001236257275 979462878 /nfs/dbraw/zinc/46/28/78/979462878.db2.gz YMQUZTJZUZOYIG-UHFFFAOYSA-N 1 2 237.196 1.667 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc([S-])cc1 ZINC001236250102 979467732 /nfs/dbraw/zinc/46/77/32/979467732.db2.gz CIJLOZBUFZBYOV-LLVKDONJSA-N 1 2 222.357 1.898 20 0 BDADLO Cc1ccc(Nc2cn(C)nn2)c(C)[nH+]1 ZINC001203370614 979468649 /nfs/dbraw/zinc/46/86/49/979468649.db2.gz POLYAQVNGZAYLR-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1CC1OC=CC1=S ZINC001236252362 979473442 /nfs/dbraw/zinc/47/34/42/979473442.db2.gz JQIOWENUTQJQGD-MRVPVSSYSA-N 1 2 212.318 1.491 20 0 BDADLO [NH3+]C[C@H]1CCCN1CC1OC=CC1=S ZINC001236252362 979473452 /nfs/dbraw/zinc/47/34/52/979473452.db2.gz JQIOWENUTQJQGD-MRVPVSSYSA-N 1 2 212.318 1.491 20 0 BDADLO C[N@@H+](CCO)Cc1cc(F)c(O)cc1F ZINC001236256162 979479348 /nfs/dbraw/zinc/47/93/48/979479348.db2.gz MPFIIFXQIXFARV-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO CN1Cc2ccc(-c3ccc(N)[nH+]c3)cc2C1=O ZINC001236313464 979522090 /nfs/dbraw/zinc/52/20/90/979522090.db2.gz PKGYZQGZKPQBFI-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCC1 ZINC001341707886 979530122 /nfs/dbraw/zinc/53/01/22/979530122.db2.gz FLNVNNIOCDMPLW-NSHDSACASA-N 1 2 249.362 1.572 20 0 BDADLO Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCC1 ZINC001341707886 979530130 /nfs/dbraw/zinc/53/01/30/979530130.db2.gz FLNVNNIOCDMPLW-NSHDSACASA-N 1 2 249.362 1.572 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)o1 ZINC001341914029 979594496 /nfs/dbraw/zinc/59/44/96/979594496.db2.gz YTBPMWUFEAJQMV-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)o1 ZINC001341914029 979594497 /nfs/dbraw/zinc/59/44/97/979594497.db2.gz YTBPMWUFEAJQMV-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO Cc1cc(O)cnc1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182829814 979652482 /nfs/dbraw/zinc/65/24/82/979652482.db2.gz HTTOVSIBZKYHFD-NSHDSACASA-N 1 2 249.314 1.517 20 0 BDADLO Cc1cc(O)cnc1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182829814 979652485 /nfs/dbraw/zinc/65/24/85/979652485.db2.gz HTTOVSIBZKYHFD-NSHDSACASA-N 1 2 249.314 1.517 20 0 BDADLO CCc1cn(Cc2ccc(-c3nn[nH]n3)o2)c[nH+]1 ZINC001604536581 979675567 /nfs/dbraw/zinc/67/55/67/979675567.db2.gz FLBYNNKFEXQTRP-UHFFFAOYSA-N 1 2 244.258 1.267 20 0 BDADLO Oc1cc(C[NH+]2CC3(C2)CCOC3)ccc1F ZINC001236701835 979697626 /nfs/dbraw/zinc/69/76/26/979697626.db2.gz GVHNMGCLCHVQES-UHFFFAOYSA-N 1 2 237.274 1.754 20 0 BDADLO CC[C@H](CO)C(=O)Nc1cccc2[nH+]ccn21 ZINC001183163948 979770173 /nfs/dbraw/zinc/77/01/73/979770173.db2.gz WSKASPAOAXOZJU-SECBINFHSA-N 1 2 233.271 1.291 20 0 BDADLO CCN(C(=O)[C@@H](C)CSC)C1C[NH+](C)C1 ZINC001183218414 979776963 /nfs/dbraw/zinc/77/69/63/979776963.db2.gz ZXWPLHKLAONIKO-VIFPVBQESA-N 1 2 230.377 1.148 20 0 BDADLO C[C@@H]1C[N@H+](CC2OC=CC2=S)CCC1=O ZINC001237179893 979827855 /nfs/dbraw/zinc/82/78/55/979827855.db2.gz GZFWFMQYVDCXKG-MRVPVSSYSA-N 1 2 225.313 1.979 20 0 BDADLO C[C@@H]1C[N@@H+](CC2OC=CC2=S)CCC1=O ZINC001237179893 979827856 /nfs/dbraw/zinc/82/78/56/979827856.db2.gz GZFWFMQYVDCXKG-MRVPVSSYSA-N 1 2 225.313 1.979 20 0 BDADLO CCOC(=O)C[N@H+](CC)CC1OC=CC1=S ZINC001237181095 979832530 /nfs/dbraw/zinc/83/25/30/979832530.db2.gz DUQWMNJTUHTOJR-UHFFFAOYSA-N 1 2 243.328 1.953 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CC1OC=CC1=S ZINC001237181095 979832531 /nfs/dbraw/zinc/83/25/31/979832531.db2.gz DUQWMNJTUHTOJR-UHFFFAOYSA-N 1 2 243.328 1.953 20 0 BDADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC1OC=CC1=S ZINC001237193071 979842315 /nfs/dbraw/zinc/84/23/15/979842315.db2.gz WVTNIRVBUGDOGQ-AOOOYVTPSA-N 1 2 238.356 1.847 20 0 BDADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC1OC=CC1=S ZINC001237193071 979842317 /nfs/dbraw/zinc/84/23/17/979842317.db2.gz WVTNIRVBUGDOGQ-AOOOYVTPSA-N 1 2 238.356 1.847 20 0 BDADLO CN1C[C@H]2CC[C@@H](C1)[N@H+]2CC1OC=CC1=S ZINC001237193071 979842320 /nfs/dbraw/zinc/84/23/20/979842320.db2.gz WVTNIRVBUGDOGQ-AOOOYVTPSA-N 1 2 238.356 1.847 20 0 BDADLO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1OC=CC1=S ZINC001237193071 979842324 /nfs/dbraw/zinc/84/23/24/979842324.db2.gz WVTNIRVBUGDOGQ-AOOOYVTPSA-N 1 2 238.356 1.847 20 0 BDADLO COc1c(C)cccc1C[N@@H+]1CCCNC(=O)C1 ZINC001237500401 979921367 /nfs/dbraw/zinc/92/13/67/979921367.db2.gz KGPMRBBLFFUNRJ-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO COc1c(C)cccc1C[N@H+]1CCCNC(=O)C1 ZINC001237500401 979921377 /nfs/dbraw/zinc/92/13/77/979921377.db2.gz KGPMRBBLFFUNRJ-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccn2nccc2c1 ZINC001237544042 979934466 /nfs/dbraw/zinc/93/44/66/979934466.db2.gz CCGPXOKRGOGPJB-YPMHNXCESA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccn2nccc2c1 ZINC001237544042 979934472 /nfs/dbraw/zinc/93/44/72/979934472.db2.gz CCGPXOKRGOGPJB-YPMHNXCESA-N 1 2 249.289 1.239 20 0 BDADLO CC[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC001342913147 979936213 /nfs/dbraw/zinc/93/62/13/979936213.db2.gz DWUCCIATHVZZMU-SNVBAGLBSA-N 1 2 220.320 1.779 20 0 BDADLO CC[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC001342913147 979936218 /nfs/dbraw/zinc/93/62/18/979936218.db2.gz DWUCCIATHVZZMU-SNVBAGLBSA-N 1 2 220.320 1.779 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1ccncn1 ZINC001203270592 979941715 /nfs/dbraw/zinc/94/17/15/979941715.db2.gz MNWKJWCROOWSNO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1ccncn1 ZINC001203270592 979941723 /nfs/dbraw/zinc/94/17/23/979941723.db2.gz MNWKJWCROOWSNO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)[C@@H](C)CC1 ZINC001237587487 979944679 /nfs/dbraw/zinc/94/46/79/979944679.db2.gz FEUJPSQADATPSA-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCn1c[nH+]cc1CN1CC2(C1)CCCCO2 ZINC001237594095 979952838 /nfs/dbraw/zinc/95/28/38/979952838.db2.gz SGTZCKAXADGQIT-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCn2ccnc2C1 ZINC001237646032 979997315 /nfs/dbraw/zinc/99/73/15/979997315.db2.gz JSRYTZVTVTXXGI-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CC[C@H](C)C(=O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001184316226 980002767 /nfs/dbraw/zinc/00/27/67/980002767.db2.gz QFOVEMKMCZWEFU-VIFPVBQESA-N 1 2 245.282 1.888 20 0 BDADLO CCC[NH+]1CCN(Cc2cn[nH]c2CC)CC1 ZINC001237651719 980012241 /nfs/dbraw/zinc/01/22/41/980012241.db2.gz VWEMSAFTUMMEMN-UHFFFAOYSA-N 1 2 236.363 1.500 20 0 BDADLO CN(C)c1cc(N2CCC[C@H]3C[C@H]32)nc[nH+]1 ZINC001343142215 980019730 /nfs/dbraw/zinc/01/97/30/980019730.db2.gz YKTBRSKQISOJCB-VHSXEESVSA-N 1 2 218.304 1.531 20 0 BDADLO CN(C)c1cc(N2CCC[C@H]3C[C@H]32)[nH+]cn1 ZINC001343142215 980019736 /nfs/dbraw/zinc/01/97/36/980019736.db2.gz YKTBRSKQISOJCB-VHSXEESVSA-N 1 2 218.304 1.531 20 0 BDADLO CC(=O)[C@@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC001184332869 980033994 /nfs/dbraw/zinc/03/39/94/980033994.db2.gz ZBKLEAGNWYQGMU-VIFPVBQESA-N 1 2 245.282 1.888 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccnn1C1CC1 ZINC001606918785 980060904 /nfs/dbraw/zinc/06/09/04/980060904.db2.gz BMAKNRUDSADGEL-SNVBAGLBSA-N 1 2 234.303 1.251 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccnn1C1CC1 ZINC001606918785 980060914 /nfs/dbraw/zinc/06/09/14/980060914.db2.gz BMAKNRUDSADGEL-SNVBAGLBSA-N 1 2 234.303 1.251 20 0 BDADLO O=c1cc[nH]cc1C[N@@H+]1CCn2cccc2C1 ZINC001237839319 980089536 /nfs/dbraw/zinc/08/95/36/980089536.db2.gz LCPIMNPQZDMFBP-UHFFFAOYSA-N 1 2 229.283 1.192 20 0 BDADLO O=c1cc[nH]cc1C[N@H+]1CCn2cccc2C1 ZINC001237839319 980089546 /nfs/dbraw/zinc/08/95/46/980089546.db2.gz LCPIMNPQZDMFBP-UHFFFAOYSA-N 1 2 229.283 1.192 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@]12C[C@H]1CCC2 ZINC001343467692 980118448 /nfs/dbraw/zinc/11/84/48/980118448.db2.gz GCQONKNXVBWLIE-BXKDBHETSA-N 1 2 220.272 1.654 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+](C)C1COC1 ZINC001238099128 980146784 /nfs/dbraw/zinc/14/67/84/980146784.db2.gz NFFISRKUUKVLCI-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO Cc1ccc(O)cc1C[N@H+](C)C1COC1 ZINC001238099128 980146789 /nfs/dbraw/zinc/14/67/89/980146789.db2.gz NFFISRKUUKVLCI-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO CCc1onc(C)c1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001343646337 980177010 /nfs/dbraw/zinc/17/70/10/980177010.db2.gz WXBPEEOPIRAWGA-ZCFIWIBFSA-N 1 2 247.245 1.466 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001238177179 980208203 /nfs/dbraw/zinc/20/82/03/980208203.db2.gz DSXMYEUKDOGYOT-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncncc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001238177179 980208230 /nfs/dbraw/zinc/20/82/30/980208230.db2.gz DSXMYEUKDOGYOT-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO COC(=O)C1C[NH+](Cc2cncc(C3CC3)c2)C1 ZINC001238182220 980212410 /nfs/dbraw/zinc/21/24/10/980212410.db2.gz PWSUMLIZHVIXCK-UHFFFAOYSA-N 1 2 246.310 1.564 20 0 BDADLO Cc1ccc(CNC(=O)NC2C[NH+](C)C2)cc1 ZINC001185414801 980230567 /nfs/dbraw/zinc/23/05/67/980230567.db2.gz BCZMBYDYPHLNSQ-UHFFFAOYSA-N 1 2 233.315 1.108 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC/C=C\C1CC1 ZINC001344001350 980308100 /nfs/dbraw/zinc/30/81/00/980308100.db2.gz HPWJGALAIIJILU-IWQZZHSRSA-N 1 2 233.315 1.746 20 0 BDADLO CCc1cc(N2CC[C@@H](C)[C@H](O)C2)nc(CC)[nH+]1 ZINC001185969530 980310232 /nfs/dbraw/zinc/31/02/32/980310232.db2.gz NELXNPCUTPAVMF-ZYHUDNBSSA-N 1 2 249.358 1.809 20 0 BDADLO C1=CC[NH+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238807544 980326365 /nfs/dbraw/zinc/32/63/65/980326365.db2.gz UXXQYNFYIZVUBQ-UHFFFAOYSA-N 1 2 227.271 1.034 20 0 BDADLO C[C@@H]1CC[N@@H+]1Cc1cn(-c2cnccn2)cn1 ZINC001238805376 980327627 /nfs/dbraw/zinc/32/76/27/980327627.db2.gz GOEXQICKZXQJDT-SNVBAGLBSA-N 1 2 229.287 1.257 20 0 BDADLO C[C@@H]1CC[N@H+]1Cc1cn(-c2cnccn2)cn1 ZINC001238805376 980327632 /nfs/dbraw/zinc/32/76/32/980327632.db2.gz GOEXQICKZXQJDT-SNVBAGLBSA-N 1 2 229.287 1.257 20 0 BDADLO C[C@@H](C(=O)N1CCCc2n[nH]cc21)n1cc[nH+]c1 ZINC001344090606 980347617 /nfs/dbraw/zinc/34/76/17/980347617.db2.gz YKACLJZNYHYWJN-VIFPVBQESA-N 1 2 245.286 1.147 20 0 BDADLO CO[C@]1(C)C[C@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001344333619 980372532 /nfs/dbraw/zinc/37/25/32/980372532.db2.gz DAOJMGRKXCMENZ-GXFFZTMASA-N 1 2 243.347 1.731 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)CC12CC2 ZINC001344557227 980424891 /nfs/dbraw/zinc/42/48/91/980424891.db2.gz SOIJTVSLUYQDRI-SECBINFHSA-N 1 2 239.706 1.087 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)CC12CC2 ZINC001344557227 980424900 /nfs/dbraw/zinc/42/49/00/980424900.db2.gz SOIJTVSLUYQDRI-SECBINFHSA-N 1 2 239.706 1.087 20 0 BDADLO O=C(NCc1ccc2[nH+]ccn2c1)NCC1CC1 ZINC001186643626 980426119 /nfs/dbraw/zinc/42/61/19/980426119.db2.gz FNDUHDPIOULNRR-UHFFFAOYSA-N 1 2 244.298 1.544 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001344597346 980441934 /nfs/dbraw/zinc/44/19/34/980441934.db2.gz QAVBEJYFBKDCLJ-NTZNESFSSA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001344597346 980441946 /nfs/dbraw/zinc/44/19/46/980441946.db2.gz QAVBEJYFBKDCLJ-NTZNESFSSA-N 1 2 241.306 1.764 20 0 BDADLO CN1CCOc2c(/C=C/C(C)(C)O)[nH+]ncc21 ZINC001239147710 980461743 /nfs/dbraw/zinc/46/17/43/980461743.db2.gz VHCHSAHPCLBIEC-SNAWJCMRSA-N 1 2 235.287 1.089 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cccnc2C(N)=O)c1 ZINC001203656637 980488153 /nfs/dbraw/zinc/48/81/53/980488153.db2.gz YRCZEDSDEKFXOP-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cncc(F)c1 ZINC001344972991 980508921 /nfs/dbraw/zinc/50/89/21/980508921.db2.gz YAQYNUGMYMVKQD-UHFFFAOYSA-N 1 2 249.245 1.794 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@H]1F ZINC001345070810 980540085 /nfs/dbraw/zinc/54/00/85/980540085.db2.gz DVKALOJWXCUHIU-VHSXEESVSA-N 1 2 234.230 1.736 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@]1(C)CC1(F)F ZINC001345995476 980726599 /nfs/dbraw/zinc/72/65/99/980726599.db2.gz BGIFYVMWYBBUIT-JTQLQIEISA-N 1 2 244.241 1.992 20 0 BDADLO CC(C)[C@@]1(CO)CCN(c2cccc[nH+]2)C1 ZINC000335292921 980748828 /nfs/dbraw/zinc/74/88/28/980748828.db2.gz CALAOMFRQHRAJM-ZDUSSCGKSA-N 1 2 220.316 1.926 20 0 BDADLO C[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)CC(F)F ZINC001346082870 980749778 /nfs/dbraw/zinc/74/97/78/980749778.db2.gz UFFDULCYVRNOBZ-IUCAKERBSA-N 1 2 245.273 1.852 20 0 BDADLO CN(C)C(=O)c1cccc(CCn2cc[nH+]c2)c1 ZINC001250315020 980754185 /nfs/dbraw/zinc/75/41/85/980754185.db2.gz BKOUZISTTSMOEH-UHFFFAOYSA-N 1 2 243.310 1.828 20 0 BDADLO CN(C)C(=O)c1ccc(CCn2cc[nH+]c2)cc1 ZINC001250315560 980754207 /nfs/dbraw/zinc/75/42/07/980754207.db2.gz OXNYFRBIMZRHEO-UHFFFAOYSA-N 1 2 243.310 1.828 20 0 BDADLO Cc1cc(CCn2cc[nH+]c2)ccc1CO ZINC001250319945 980762348 /nfs/dbraw/zinc/76/23/48/980762348.db2.gz VYSZNJALCUUKDI-UHFFFAOYSA-N 1 2 216.284 1.927 20 0 BDADLO COc1cc(OC)c(CCn2cc[nH+]c2)cn1 ZINC001250319444 980764617 /nfs/dbraw/zinc/76/46/17/980764617.db2.gz DNVCRXDZKKLGGA-UHFFFAOYSA-N 1 2 233.271 1.538 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)cnc1F ZINC001250319522 980765339 /nfs/dbraw/zinc/76/53/39/980765339.db2.gz GFPIYEOAQHUSGT-UHFFFAOYSA-N 1 2 221.235 1.669 20 0 BDADLO CON1CC[NH+](Cc2ncccc2C)CC1 ZINC001346426039 980834151 /nfs/dbraw/zinc/83/41/51/980834151.db2.gz KLJJACBGWZRHHD-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO CCCCNC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001190646836 980902300 /nfs/dbraw/zinc/90/23/00/980902300.db2.gz HJWRCMVEAZMJDN-UHFFFAOYSA-N 1 2 246.314 1.934 20 0 BDADLO COc1ncc(-c2cccc3[nH+]ccn32)cn1 ZINC001239846554 980986247 /nfs/dbraw/zinc/98/62/47/980986247.db2.gz KVEKGUGMQWFGSN-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Cc1[nH+]cc(NC(=O)Nc2ccccn2)n1C ZINC001191302192 981011639 /nfs/dbraw/zinc/01/16/39/981011639.db2.gz HQGAYSWFZLPLTE-UHFFFAOYSA-N 1 2 231.259 1.768 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCCc1[nH+]ccn1C ZINC001347329308 981048769 /nfs/dbraw/zinc/04/87/69/981048769.db2.gz JBFUAWLOUJKTCA-ZHACJKMWSA-N 1 2 235.331 1.825 20 0 BDADLO C[C@H](NC(=O)NCc1c[nH+]cn1C)C1(C)CC1 ZINC001347495336 981097973 /nfs/dbraw/zinc/09/79/73/981097973.db2.gz BDQUINVKURGLLN-VIFPVBQESA-N 1 2 236.319 1.408 20 0 BDADLO CC/C=C\CNC(=O)CCc1[nH+]ccn1C ZINC001347650905 981138311 /nfs/dbraw/zinc/13/83/11/981138311.db2.gz HVFNAWLSPZTIGO-PLNGDYQASA-N 1 2 221.304 1.435 20 0 BDADLO Nc1nccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240216992 981167375 /nfs/dbraw/zinc/16/73/75/981167375.db2.gz WMPLSZDNNDDBJF-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cc1cncc(C[N@@H+]2CCCC3(C2)OCCO3)n1 ZINC001203173509 981186090 /nfs/dbraw/zinc/18/60/90/981186090.db2.gz ITCWXMSOURCYNV-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1cncc(C[N@H+]2CCCC3(C2)OCCO3)n1 ZINC001203173509 981186094 /nfs/dbraw/zinc/18/60/94/981186094.db2.gz ITCWXMSOURCYNV-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CCN(OC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001347836231 981189861 /nfs/dbraw/zinc/18/98/61/981189861.db2.gz FXJYSJNUIGTVBL-UHFFFAOYSA-N 1 2 233.271 1.666 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc(C)ccc2F)C1 ZINC001205616483 981201415 /nfs/dbraw/zinc/20/14/15/981201415.db2.gz HIPNAGXRSURNSB-UHFFFAOYSA-N 1 2 237.274 1.739 20 0 BDADLO Cc1cc(N2CCOCC2)[nH+]cc1-c1cn[nH]c1 ZINC001240241110 981211868 /nfs/dbraw/zinc/21/18/68/981211868.db2.gz HDKMHGINEHSQIA-UHFFFAOYSA-N 1 2 244.298 1.617 20 0 BDADLO CCCC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC001193024663 981228755 /nfs/dbraw/zinc/22/87/55/981228755.db2.gz ZCTLOEIQWRKYPR-NSHDSACASA-N 1 2 238.335 1.761 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@H](C)COC ZINC001347972869 981232452 /nfs/dbraw/zinc/23/24/52/981232452.db2.gz RSHVEDHQLOEJEF-JTQLQIEISA-N 1 2 240.303 1.619 20 0 BDADLO CCc1ccc(N2CC[C@](C)(C(N)=O)C2)[nH+]c1 ZINC001348137586 981295975 /nfs/dbraw/zinc/29/59/75/981295975.db2.gz NYDPBWQHXGKMHJ-ZDUSSCGKSA-N 1 2 233.315 1.346 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001348186965 981306724 /nfs/dbraw/zinc/30/67/24/981306724.db2.gz CMOYXHORQUVUGS-RYUDHWBXSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCCc2[nH+]ccn2C)C1 ZINC001348228575 981312533 /nfs/dbraw/zinc/31/25/33/981312533.db2.gz IWQQVDYLAZBEAS-KPMWUXBGSA-N 1 2 247.342 1.825 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2ncnn2c1 ZINC001240356283 981313265 /nfs/dbraw/zinc/31/32/65/981313265.db2.gz QCOHQDSMZUFPFX-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO CNc1cc(-c2ccc3ncnn3c2)cc[nH+]1 ZINC001240357831 981315197 /nfs/dbraw/zinc/31/51/97/981315197.db2.gz ABLCMYGDSUJHNX-UHFFFAOYSA-N 1 2 225.255 1.833 20 0 BDADLO CON(Cc1ccc(C)o1)C(=O)Cc1[nH]cc[nH+]1 ZINC001348377126 981347320 /nfs/dbraw/zinc/34/73/20/981347320.db2.gz QNZAGFJCLQJQDI-UHFFFAOYSA-N 1 2 249.270 1.444 20 0 BDADLO C[C@H](C(=O)N[C@H]1CS[C@H](C)C1)n1cc[nH+]c1 ZINC001348476368 981369912 /nfs/dbraw/zinc/36/99/12/981369912.db2.gz OLTFZXWDSQXLPU-OPRDCNLKSA-N 1 2 239.344 1.454 20 0 BDADLO C[C@@H](O)CNc1cc(NCCC(F)F)[nH+]cn1 ZINC001348576011 981398311 /nfs/dbraw/zinc/39/83/11/981398311.db2.gz CVKLKZVIJUIHEQ-SSDOTTSWSA-N 1 2 246.261 1.336 20 0 BDADLO C[C@@H](O)CNc1cc(NCCC(F)F)nc[nH+]1 ZINC001348576011 981398319 /nfs/dbraw/zinc/39/83/19/981398319.db2.gz CVKLKZVIJUIHEQ-SSDOTTSWSA-N 1 2 246.261 1.336 20 0 BDADLO CCCCOC(=O)N(CC)C1C[NH+](C)C1 ZINC001193692772 981413173 /nfs/dbraw/zinc/41/31/73/981413173.db2.gz AHBKSFWABNXFRJ-UHFFFAOYSA-N 1 2 214.309 1.559 20 0 BDADLO Nc1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496042 981415719 /nfs/dbraw/zinc/41/57/19/981415719.db2.gz DRAGTUNTVDAUSR-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO NC(=O)c1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240495919 981416188 /nfs/dbraw/zinc/41/61/88/981416188.db2.gz DBKQPDPUZBGEJB-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO Fc1ncc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240503180 981431340 /nfs/dbraw/zinc/43/13/40/981431340.db2.gz JBXLRUNNISVEAS-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO CC(C)COC(=O)NCCn1cc[nH+]c1 ZINC001193795864 981431884 /nfs/dbraw/zinc/43/18/84/981431884.db2.gz WMTYFEZCXSFVAS-UHFFFAOYSA-N 1 2 211.265 1.265 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)CCc1[nH+]ccn1C ZINC001349404866 981545127 /nfs/dbraw/zinc/54/51/27/981545127.db2.gz XGLIMJLHQHUZBQ-NSHDSACASA-N 1 2 235.331 1.610 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)[nH]n1 ZINC001349409782 981548873 /nfs/dbraw/zinc/54/88/73/981548873.db2.gz FQYGOUMLGKMWEY-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)[nH]n1 ZINC001349409782 981548882 /nfs/dbraw/zinc/54/88/82/981548882.db2.gz FQYGOUMLGKMWEY-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001349929851 981817582 /nfs/dbraw/zinc/81/75/82/981817582.db2.gz KSMMPBSEKFMVEL-WOPDTQHZSA-N 1 2 247.342 1.658 20 0 BDADLO Cc1cnccc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC001586295856 981984618 /nfs/dbraw/zinc/98/46/18/981984618.db2.gz ZKKZRUABOSDXKE-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CC[C@@H](C)OC(=O)N1CCn2c[nH+]cc2C1 ZINC001195108199 982086155 /nfs/dbraw/zinc/08/61/55/982086155.db2.gz JWGMYJPHTAEBHC-SECBINFHSA-N 1 2 223.276 1.634 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C=C1CCCCC1 ZINC001350868717 982106297 /nfs/dbraw/zinc/10/62/97/982106297.db2.gz KZIDMPWZOXEHOX-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)o1 ZINC001203300293 982155267 /nfs/dbraw/zinc/15/52/67/982155267.db2.gz GCZKAVGJIJOCFU-GHMZBOCLSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)o1 ZINC001203300293 982155274 /nfs/dbraw/zinc/15/52/74/982155274.db2.gz GCZKAVGJIJOCFU-GHMZBOCLSA-N 1 2 207.273 1.951 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C(F)(F)F)n1cc[nH+]c1 ZINC001351033594 982179927 /nfs/dbraw/zinc/17/99/27/982179927.db2.gz SFHSHPQPTVNMBD-ZETCQYMHSA-N 1 2 249.236 1.901 20 0 BDADLO CCc1ncc(C[N@@H+]2CCSC[C@@H]2CO)o1 ZINC001351161880 982224021 /nfs/dbraw/zinc/22/40/21/982224021.db2.gz PPQNTZFMUWWKDB-VIFPVBQESA-N 1 2 242.344 1.147 20 0 BDADLO CCc1ncc(C[N@H+]2CCSC[C@@H]2CO)o1 ZINC001351161880 982224028 /nfs/dbraw/zinc/22/40/28/982224028.db2.gz PPQNTZFMUWWKDB-VIFPVBQESA-N 1 2 242.344 1.147 20 0 BDADLO CCNC(=S)NCc1c[nH+]cn1C1CCC1 ZINC001195365449 982228766 /nfs/dbraw/zinc/22/87/66/982228766.db2.gz LDNSFSIVVOLGSK-UHFFFAOYSA-N 1 2 238.360 1.592 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1CCOCC2(CC2)C1 ZINC001351271512 982258962 /nfs/dbraw/zinc/25/89/62/982258962.db2.gz HAPTWYOHFPXCPM-NSHDSACASA-N 1 2 233.315 1.650 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1CCOCC2(CC2)C1 ZINC001351271512 982258975 /nfs/dbraw/zinc/25/89/75/982258975.db2.gz HAPTWYOHFPXCPM-NSHDSACASA-N 1 2 233.315 1.650 20 0 BDADLO C[C@@H](C(=O)N1CC(CC2CC2)C1)n1cc[nH+]c1 ZINC001351279744 982263072 /nfs/dbraw/zinc/26/30/72/982263072.db2.gz TVAARGWNLPOOAF-JTQLQIEISA-N 1 2 233.315 1.703 20 0 BDADLO COC(=O)Cc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241169943 982309746 /nfs/dbraw/zinc/30/97/46/982309746.db2.gz RXCPCGLCABYOLM-UHFFFAOYSA-N 1 2 243.266 1.441 20 0 BDADLO COC(=O)c1nccc(-c2cc[nH+]c(N)c2)c1C ZINC001241169501 982313231 /nfs/dbraw/zinc/31/32/31/982313231.db2.gz CCRMBZPRKXFWBL-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO COc1cccc(-c2cc[nH+]c(N)c2)c1C(N)=O ZINC001241175502 982323901 /nfs/dbraw/zinc/32/39/01/982323901.db2.gz DWTMKJZRFXLXNI-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)CCc1[nH+]ccn1C ZINC001351666857 982355071 /nfs/dbraw/zinc/35/50/71/982355071.db2.gz QGMIRNNYUCUWBT-SNVBAGLBSA-N 1 2 239.319 1.541 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(N)nc1 ZINC001241242429 982386479 /nfs/dbraw/zinc/38/64/79/982386479.db2.gz AUNORGNCUKWWQT-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO CC[C@](C)(O)CNc1cc(N(C)C)nc[nH+]1 ZINC001351964045 982421673 /nfs/dbraw/zinc/42/16/73/982421673.db2.gz UABVERUBDRUVIO-NSHDSACASA-N 1 2 224.308 1.116 20 0 BDADLO O=C(Nc1ccccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001197765816 982585954 /nfs/dbraw/zinc/58/59/54/982585954.db2.gz JAWWGSUODRXTDR-LLVKDONJSA-N 1 2 242.282 1.630 20 0 BDADLO C[NH+]1CC(NC(=O)c2cnccc2C2CC2)C1 ZINC001197854736 982606168 /nfs/dbraw/zinc/60/61/68/982606168.db2.gz GIHQNCJANULWNI-UHFFFAOYSA-N 1 2 231.299 1.003 20 0 BDADLO CN(C)c1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001352860323 982606357 /nfs/dbraw/zinc/60/63/57/982606357.db2.gz AEPCOSVAWNRELI-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO CN(C)c1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001352860323 982606367 /nfs/dbraw/zinc/60/63/67/982606367.db2.gz AEPCOSVAWNRELI-BETUJISGSA-N 1 2 247.342 1.511 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cccc2C(=O)[O-])CC[NH2+]1 ZINC001589291434 982699681 /nfs/dbraw/zinc/69/96/81/982699681.db2.gz IBVMSDJMYUWPKV-BDAKNGLRSA-N 1 2 235.287 1.332 20 0 BDADLO C=CS(=O)(=O)Nc1c[nH+]c2cccc(C)n12 ZINC001198579002 982776470 /nfs/dbraw/zinc/77/64/70/982776470.db2.gz GMLIGSLVBAZVNU-UHFFFAOYSA-N 1 2 237.284 1.528 20 0 BDADLO Cc1nc(N)ncc1-c1cccc2[nH+]ccn21 ZINC001241644213 982882703 /nfs/dbraw/zinc/88/27/03/982882703.db2.gz DBLDAKPAUWMXHR-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1ncc(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC001353886874 983050136 /nfs/dbraw/zinc/05/01/36/983050136.db2.gz MAOJDSPRQSJAMV-UHFFFAOYSA-N 1 2 248.286 1.182 20 0 BDADLO Cc1cccnc1[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001353914412 983074481 /nfs/dbraw/zinc/07/44/81/983074481.db2.gz FLCRYLIERUWGIY-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO COCn1cc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201279544 983156007 /nfs/dbraw/zinc/15/60/07/983156007.db2.gz XBHTXLXVHOMTDH-UHFFFAOYSA-N 1 2 219.248 1.208 20 0 BDADLO NC(=O)c1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201284715 983158024 /nfs/dbraw/zinc/15/80/24/983158024.db2.gz XKFLOGVFILKCOK-UHFFFAOYSA-N 1 2 228.255 1.506 20 0 BDADLO Nc1ccc(Nc2cncc(CO)c2)c[nH+]1 ZINC001201279683 983158293 /nfs/dbraw/zinc/15/82/93/983158293.db2.gz SRSGMVVTNWGAAR-UHFFFAOYSA-N 1 2 216.244 1.295 20 0 BDADLO CCc1ccc(N(C)C[C@@H](C)C(=O)OC)[nH+]c1 ZINC001354140741 983171801 /nfs/dbraw/zinc/17/18/01/983171801.db2.gz KRISWTYCFIENBB-SNVBAGLBSA-N 1 2 236.315 1.889 20 0 BDADLO CCn1cc(Nc2ccc(N)[nH+]c2)c(C)n1 ZINC001201272081 983171982 /nfs/dbraw/zinc/17/19/82/983171982.db2.gz ICIAJDIQBLNSPP-UHFFFAOYSA-N 1 2 217.276 1.932 20 0 BDADLO COc1ccc(CO)cc1Nc1ccc(N)[nH+]c1 ZINC001201293047 983172734 /nfs/dbraw/zinc/17/27/34/983172734.db2.gz WIZUOLGVKIJZQR-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO Nc1ccc(Nc2ncc(F)cc2N)c[nH+]1 ZINC001201276237 983176087 /nfs/dbraw/zinc/17/60/87/983176087.db2.gz QKEZXIFIACVHPZ-UHFFFAOYSA-N 1 2 219.223 1.524 20 0 BDADLO Cn1ncc2cc(Nc3ccc(N)[nH+]c3)cnc21 ZINC001201276033 983176129 /nfs/dbraw/zinc/17/61/29/983176129.db2.gz OWVDZGNAEUYRDW-UHFFFAOYSA-N 1 2 240.270 1.689 20 0 BDADLO COc1ncc(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201278487 983179350 /nfs/dbraw/zinc/17/93/50/983179350.db2.gz KAFCSVCCPNSWKZ-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO Nc1ccc(Nc2cccc(N)c2O)c[nH+]1 ZINC001201295173 983181845 /nfs/dbraw/zinc/18/18/45/983181845.db2.gz LFUVWXVYIVNXLJ-UHFFFAOYSA-N 1 2 216.244 1.695 20 0 BDADLO C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC001592611233 983185344 /nfs/dbraw/zinc/18/53/44/983185344.db2.gz MIXRJIDKZXGBKB-VIFPVBQESA-N 1 2 222.288 1.164 20 0 BDADLO C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC001592611233 983185348 /nfs/dbraw/zinc/18/53/48/983185348.db2.gz MIXRJIDKZXGBKB-VIFPVBQESA-N 1 2 222.288 1.164 20 0 BDADLO CNC(=O)[C@@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001354217561 983201359 /nfs/dbraw/zinc/20/13/59/983201359.db2.gz VJFJCVOWLYDKAE-SECBINFHSA-N 1 2 237.278 1.101 20 0 BDADLO CNC(=S)Nc1ccn2cc[nH+]c2c1 ZINC001200600531 983205070 /nfs/dbraw/zinc/20/50/70/983205070.db2.gz NRLZTHXNSDMJLR-UHFFFAOYSA-N 1 2 206.274 1.251 20 0 BDADLO c1c[nH+]c(-c2ccc(Cn3cncn3)cc2)[nH]1 ZINC001242014427 983211005 /nfs/dbraw/zinc/21/10/05/983211005.db2.gz LLQBVHRBMPFMNE-UHFFFAOYSA-N 1 2 225.255 1.717 20 0 BDADLO CC(C)(C)C[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201433013 983228059 /nfs/dbraw/zinc/22/80/59/983228059.db2.gz PQDSXRKVMBOXMQ-SECBINFHSA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)(C)C[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201433013 983228069 /nfs/dbraw/zinc/22/80/69/983228069.db2.gz PQDSXRKVMBOXMQ-SECBINFHSA-N 1 2 221.291 1.982 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2nc[nH]c2n1 ZINC001242071202 983304473 /nfs/dbraw/zinc/30/44/73/983304473.db2.gz WLVAOOWKLBKDKP-UHFFFAOYSA-N 1 2 226.243 1.257 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc2c1ncn2C ZINC001242070607 983304991 /nfs/dbraw/zinc/30/49/91/983304991.db2.gz FOMBSVKDPVSILW-UHFFFAOYSA-N 1 2 240.270 1.316 20 0 BDADLO COCc1ccnc(-c2c[nH+]c(N)cc2C)n1 ZINC001242072787 983309779 /nfs/dbraw/zinc/30/97/79/983309779.db2.gz PZINWXAMAIXTEP-UHFFFAOYSA-N 1 2 230.271 1.576 20 0 BDADLO CC(=O)Nc1cncc(-c2c[nH+]c(N)cc2C)n1 ZINC001242078831 983327324 /nfs/dbraw/zinc/32/73/24/983327324.db2.gz SGTSYJRNNTZQEU-UHFFFAOYSA-N 1 2 243.270 1.388 20 0 BDADLO CCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201633637 983361875 /nfs/dbraw/zinc/36/18/75/983361875.db2.gz AHCPJPFVGHEPSF-YUMQZZPRSA-N 1 2 229.217 1.734 20 0 BDADLO CCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201633637 983361877 /nfs/dbraw/zinc/36/18/77/983361877.db2.gz AHCPJPFVGHEPSF-YUMQZZPRSA-N 1 2 229.217 1.734 20 0 BDADLO CC(=O)OC1C[NH+](CCc2ccccc2)C1 ZINC001201604440 983372122 /nfs/dbraw/zinc/37/21/22/983372122.db2.gz TVWZCNRQMZFVFL-UHFFFAOYSA-N 1 2 219.284 1.476 20 0 BDADLO CSCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201679935 983392267 /nfs/dbraw/zinc/39/22/67/983392267.db2.gz MGCHZVUVFYEDSW-VIFPVBQESA-N 1 2 239.331 1.689 20 0 BDADLO CSCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201679935 983392269 /nfs/dbraw/zinc/39/22/69/983392269.db2.gz MGCHZVUVFYEDSW-VIFPVBQESA-N 1 2 239.331 1.689 20 0 BDADLO Oc1cc(F)ccc1-c1ncnc2c1C[NH2+]C2 ZINC001242216500 983410522 /nfs/dbraw/zinc/41/05/22/983410522.db2.gz VXXMNWUJKSARHJ-UHFFFAOYSA-N 1 2 231.230 1.592 20 0 BDADLO C[C@@H](O)[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001355253970 983453421 /nfs/dbraw/zinc/45/34/21/983453421.db2.gz CSZYSAUZTOAHTO-MNOVXSKESA-N 1 2 246.314 1.327 20 0 BDADLO CN(C)c1cc(NC/C=C\C2CC2)[nH+]cn1 ZINC001355283103 983462696 /nfs/dbraw/zinc/46/26/96/983462696.db2.gz GGLHEIZFGXZIEB-ARJAWSKDSA-N 1 2 218.304 1.921 20 0 BDADLO CN(C)c1cc(NC/C=C\C2CC2)nc[nH+]1 ZINC001355283103 983462701 /nfs/dbraw/zinc/46/27/01/983462701.db2.gz GGLHEIZFGXZIEB-ARJAWSKDSA-N 1 2 218.304 1.921 20 0 BDADLO CCCCOC1C[NH+](CCCC(=O)OC)C1 ZINC001202228107 983601942 /nfs/dbraw/zinc/60/19/42/983601942.db2.gz KRVINMUOIACZRS-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001252108191 983666137 /nfs/dbraw/zinc/66/61/37/983666137.db2.gz MFWZROOMLDSPGB-RYUDHWBXSA-N 1 2 245.363 1.715 20 0 BDADLO CC(=O)c1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001242400186 983681745 /nfs/dbraw/zinc/68/17/45/983681745.db2.gz AUBHFKYOQNDOPF-UHFFFAOYSA-N 1 2 213.240 1.928 20 0 BDADLO COCCCn1cc(-c2ccc[nH+]c2N)cn1 ZINC001242487692 983814524 /nfs/dbraw/zinc/81/45/24/983814524.db2.gz KVIPZRDWXDFQAS-UHFFFAOYSA-N 1 2 232.287 1.564 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(CO)c(F)c1 ZINC001242531667 983853421 /nfs/dbraw/zinc/85/34/21/983853421.db2.gz FGLUVAVQNFRBBR-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO Nc1ccc(-c2ccc(CO)c(F)c2)c[nH+]1 ZINC001242534332 983857390 /nfs/dbraw/zinc/85/73/90/983857390.db2.gz WHRKJEQGEGVLJW-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO CC[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC000200274570 983954424 /nfs/dbraw/zinc/95/44/24/983954424.db2.gz MJCXZZQJJZVYDF-UHFFFAOYSA-N 1 2 218.300 1.351 20 0 BDADLO CC[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC000200274570 983954437 /nfs/dbraw/zinc/95/44/37/983954437.db2.gz MJCXZZQJJZVYDF-UHFFFAOYSA-N 1 2 218.300 1.351 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1[nH]nc2c1cccc2C ZINC001137141788 983968355 /nfs/dbraw/zinc/96/83/55/983968355.db2.gz IWMJVKFOVYRCGO-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1[nH]nc2c1cccc2C ZINC001137141788 983968361 /nfs/dbraw/zinc/96/83/61/983968361.db2.gz IWMJVKFOVYRCGO-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC[C@@H]1F ZINC001137162835 984010444 /nfs/dbraw/zinc/01/04/44/984010444.db2.gz LFRPQSFIJAPQSG-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@@H]1F ZINC001137162835 984010457 /nfs/dbraw/zinc/01/04/57/984010457.db2.gz LFRPQSFIJAPQSG-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596421368 984054761 /nfs/dbraw/zinc/05/47/61/984054761.db2.gz JCMNQNWEWICODN-GRYCIOLGSA-N 1 2 240.347 1.314 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596421368 984054766 /nfs/dbraw/zinc/05/47/66/984054766.db2.gz JCMNQNWEWICODN-GRYCIOLGSA-N 1 2 240.347 1.314 20 0 BDADLO CCCNC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001202584481 984090055 /nfs/dbraw/zinc/09/00/55/984090055.db2.gz ISQKBFFZNXFKQT-UHFFFAOYSA-N 1 2 219.288 1.524 20 0 BDADLO O=C1C[N@@H+](CCC2CCOCC2)CCC[C@H]1F ZINC001202611340 984124974 /nfs/dbraw/zinc/12/49/74/984124974.db2.gz QCQDFZUNWKDLIB-GFCCVEGCSA-N 1 2 243.322 1.806 20 0 BDADLO O=C1C[N@H+](CCC2CCOCC2)CCC[C@H]1F ZINC001202611340 984124982 /nfs/dbraw/zinc/12/49/82/984124982.db2.gz QCQDFZUNWKDLIB-GFCCVEGCSA-N 1 2 243.322 1.806 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC001545802146 984173121 /nfs/dbraw/zinc/17/31/21/984173121.db2.gz LZBAFUDOYKVXLK-UWVGGRQHSA-N 1 2 235.331 1.765 20 0 BDADLO CC(C)(C)OC[C@H](O)C[NH+]1CC2(C1)CCCO2 ZINC001253449211 984174730 /nfs/dbraw/zinc/17/47/30/984174730.db2.gz ROQIFEAVJSBPGU-LLVKDONJSA-N 1 2 243.347 1.027 20 0 BDADLO c1cn(-c2ccnc(-c3ccncn3)c2)c[nH+]1 ZINC001242916338 984286139 /nfs/dbraw/zinc/28/61/39/984286139.db2.gz USKLNQVDNBBYKC-UHFFFAOYSA-N 1 2 223.239 1.724 20 0 BDADLO Cn1cncc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001436596732 984333118 /nfs/dbraw/zinc/33/31/18/984333118.db2.gz ICVZGKWOAUYKES-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO Cc1ccc(F)cc1C[NH2+]Cc1cnn(C)n1 ZINC000389812877 984371451 /nfs/dbraw/zinc/37/14/51/984371451.db2.gz HUSFVRAOZKUTLJ-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cc1ccnc(C)c1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274753257 984374418 /nfs/dbraw/zinc/37/44/18/984374418.db2.gz ZKJRDFBAKWJUEM-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1ccnc(C)c1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274753257 984374426 /nfs/dbraw/zinc/37/44/26/984374426.db2.gz ZKJRDFBAKWJUEM-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO C[C@H](C[NH+]1CC2(CCN2C)C1)C(F)(F)F ZINC001274900562 984403859 /nfs/dbraw/zinc/40/38/59/984403859.db2.gz ZXQXCWRAZGFNFY-MRVPVSSYSA-N 1 2 222.254 1.575 20 0 BDADLO C[N@H+]1C[C@H]2CN(CCc3ccccc3)C[C@@H](C1)O2 ZINC001275089283 984479978 /nfs/dbraw/zinc/47/99/78/984479978.db2.gz YXROPSQBHQHBAO-GASCZTMLSA-N 1 2 246.354 1.244 20 0 BDADLO C[N@@H+]1C[C@H]2CN(CCc3ccccc3)C[C@@H](C1)O2 ZINC001275089283 984479985 /nfs/dbraw/zinc/47/99/85/984479985.db2.gz YXROPSQBHQHBAO-GASCZTMLSA-N 1 2 246.354 1.244 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(C(N)=O)c(F)c1 ZINC001243067252 984481955 /nfs/dbraw/zinc/48/19/55/984481955.db2.gz HKPCSRNAILYBDX-UHFFFAOYSA-N 1 2 219.219 1.325 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)NC(=O)CC2 ZINC001243069481 984486922 /nfs/dbraw/zinc/48/69/22/984486922.db2.gz SHHNMCAINFEZLO-UHFFFAOYSA-N 1 2 227.267 1.972 20 0 BDADLO Cn1cnc(-c2ccc(-c3c[nH+]cn3C)cc2)n1 ZINC001243069899 984493767 /nfs/dbraw/zinc/49/37/67/984493767.db2.gz BUHIWVVLWVDFHE-UHFFFAOYSA-N 1 2 239.282 1.883 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(C(N)=O)c2[nH]ccc21 ZINC001243071154 984500305 /nfs/dbraw/zinc/50/03/05/984500305.db2.gz NZDCOPYBJLJLAJ-UHFFFAOYSA-N 1 2 240.266 1.667 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC3(CN(C)C3)C2)cn1 ZINC001275217096 984522529 /nfs/dbraw/zinc/52/25/29/984522529.db2.gz GMAUITGCYRNWJB-UHFFFAOYSA-N 1 2 246.358 1.313 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC3(CN(C)C3)C2)cn1 ZINC001275217096 984522539 /nfs/dbraw/zinc/52/25/39/984522539.db2.gz GMAUITGCYRNWJB-UHFFFAOYSA-N 1 2 246.358 1.313 20 0 BDADLO C/C(=C\C[N@@H+]1CCc2[nH+]ccc(N)c2C1)C(=O)[O-] ZINC001588961164 984734640 /nfs/dbraw/zinc/73/46/40/984734640.db2.gz JLYVXNTXSIMIFH-YCRREMRBSA-N 1 2 247.298 1.053 20 0 BDADLO C/C(=C\C[N@H+]1CCc2[nH+]ccc(N)c2C1)C(=O)[O-] ZINC001588961164 984734647 /nfs/dbraw/zinc/73/46/47/984734647.db2.gz JLYVXNTXSIMIFH-YCRREMRBSA-N 1 2 247.298 1.053 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)ccc1O ZINC001447262743 984740198 /nfs/dbraw/zinc/74/01/98/984740198.db2.gz JLXPVHJTLREZSX-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO CC[NH2+][C@@H](C)C(=O)O[C@@H](C)c1cnccn1 ZINC001577814199 984803070 /nfs/dbraw/zinc/80/30/70/984803070.db2.gz RBHVCWQMGWFXCN-IUCAKERBSA-N 1 2 223.276 1.079 20 0 BDADLO C[C@@H](C(=O)N1CC[C@H]1C1CC1)n1cc[nH+]c1 ZINC001450008177 984854917 /nfs/dbraw/zinc/85/49/17/984854917.db2.gz YDTOWQMYPVNMFJ-ONGXEEELSA-N 1 2 219.288 1.455 20 0 BDADLO O=c1cc(-c2c[nH+]c3c(c2)CCCN3)cc[nH]1 ZINC001243429555 984928074 /nfs/dbraw/zinc/92/80/74/984928074.db2.gz FWYTUTGRIRDVNR-UHFFFAOYSA-N 1 2 227.267 1.850 20 0 BDADLO O[C@H](C[N@@H+]1CCC[C@H]1C(F)F)C1(O)CCCC1 ZINC000930129816 984946080 /nfs/dbraw/zinc/94/60/80/984946080.db2.gz SZGODNRXSOMABT-VHSXEESVSA-N 1 2 249.301 1.382 20 0 BDADLO O[C@H](C[N@H+]1CCC[C@H]1C(F)F)C1(O)CCCC1 ZINC000930129816 984946104 /nfs/dbraw/zinc/94/61/04/984946104.db2.gz SZGODNRXSOMABT-VHSXEESVSA-N 1 2 249.301 1.382 20 0 BDADLO CCCC[C@@H](CC)[NH+]1CC(F)(CO)C1 ZINC001257419669 984985388 /nfs/dbraw/zinc/98/53/88/984985388.db2.gz YYJAWUWARSNSOL-SNVBAGLBSA-N 1 2 203.301 1.971 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001589004999 984987269 /nfs/dbraw/zinc/98/72/69/984987269.db2.gz WYLDQCLURQPIOZ-UTUOFQBUSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001589004999 984987291 /nfs/dbraw/zinc/98/72/91/984987291.db2.gz WYLDQCLURQPIOZ-UTUOFQBUSA-N 1 2 240.347 1.456 20 0 BDADLO COc1cccc(N)c1-c1ccc[nH+]c1N ZINC001243473242 985023864 /nfs/dbraw/zinc/02/38/64/985023864.db2.gz IVXVZGPXLDKQGP-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@H]2CCOC2)c[nH+]1 ZINC001456144857 985115369 /nfs/dbraw/zinc/11/53/69/985115369.db2.gz PUEOVKPMIWWZOJ-SECBINFHSA-N 1 2 237.303 1.015 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@H]2CCOC2)[nH+]1 ZINC001456144857 985115387 /nfs/dbraw/zinc/11/53/87/985115387.db2.gz PUEOVKPMIWWZOJ-SECBINFHSA-N 1 2 237.303 1.015 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cc(C)no2)c[nH+]1 ZINC001456140418 985116969 /nfs/dbraw/zinc/11/69/69/985116969.db2.gz BATZQQSRKYYXKG-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cc(C)no2)[nH+]1 ZINC001456140418 985116989 /nfs/dbraw/zinc/11/69/89/985116989.db2.gz BATZQQSRKYYXKG-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nncn2C)c(F)c1 ZINC000686496320 985122398 /nfs/dbraw/zinc/12/23/98/985122398.db2.gz KGLGIGDCTTYOBT-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@@H](O)CNc1nc2ccccc2n2c[nH+]cc12 ZINC001458072694 985258598 /nfs/dbraw/zinc/25/85/98/985258598.db2.gz RWLCZRKXIYJUBP-SECBINFHSA-N 1 2 242.282 1.675 20 0 BDADLO C[N@@H+]1CCN(CCCc2ccccc2)C[C@H]1CO ZINC000687598084 985337049 /nfs/dbraw/zinc/33/70/49/985337049.db2.gz YTSQQKBNTPHEDC-HNNXBMFYSA-N 1 2 248.370 1.228 20 0 BDADLO C[N@H+]1CCN(CCCc2ccccc2)C[C@H]1CO ZINC000687598084 985337057 /nfs/dbraw/zinc/33/70/57/985337057.db2.gz YTSQQKBNTPHEDC-HNNXBMFYSA-N 1 2 248.370 1.228 20 0 BDADLO CCc1cn(Cc2nc([C@H](C)OC)no2)c[nH+]1 ZINC001459266083 985428037 /nfs/dbraw/zinc/42/80/37/985428037.db2.gz ZREKGJPMGLUPPC-QMMMGPOBSA-N 1 2 236.275 1.584 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)C[C@H]1CCCOC1 ZINC001459575632 985541608 /nfs/dbraw/zinc/54/16/08/985541608.db2.gz BBICHAYZOAPXFP-VHSXEESVSA-N 1 2 241.360 1.958 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)C[C@H]1CCCOC1 ZINC001459575632 985541618 /nfs/dbraw/zinc/54/16/18/985541618.db2.gz BBICHAYZOAPXFP-VHSXEESVSA-N 1 2 241.360 1.958 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1COC2(CCC2)C1 ZINC000688285441 985604507 /nfs/dbraw/zinc/60/45/07/985604507.db2.gz HMTUFIZJFFEUKV-VIFPVBQESA-N 1 2 222.263 1.766 20 0 BDADLO COCc1nc(C)cc(C2=C[NH2+]CCC2)n1 ZINC001243948585 985630972 /nfs/dbraw/zinc/63/09/72/985630972.db2.gz IURSLFCPWAHCSD-UHFFFAOYSA-N 1 2 219.288 1.656 20 0 BDADLO COc1nnc(C2=C[NH2+]CCC2)cc1C ZINC001243949510 985637780 /nfs/dbraw/zinc/63/77/80/985637780.db2.gz OTWJOXMWGPDCOO-UHFFFAOYSA-N 1 2 205.261 1.518 20 0 BDADLO CCOc1cc(C2=C[NH2+]CCC2)nc(C)n1 ZINC001243948906 985638863 /nfs/dbraw/zinc/63/88/63/985638863.db2.gz FQZKNJUVGJNKMA-UHFFFAOYSA-N 1 2 219.288 1.908 20 0 BDADLO Cc1cn(-c2ccc(C3=C[NH2+]CCC3)nn2)cn1 ZINC001243950176 985642264 /nfs/dbraw/zinc/64/22/64/985642264.db2.gz XHBILECODUURGF-UHFFFAOYSA-N 1 2 241.298 1.695 20 0 BDADLO c1cn2cc(C3=C[NH2+]CCC3)ncc2n1 ZINC001243950069 985645773 /nfs/dbraw/zinc/64/57/73/985645773.db2.gz MFJIYDMVJRBZGZ-UHFFFAOYSA-N 1 2 200.245 1.454 20 0 BDADLO CCc1noc(C)c1C[N@H+](C)C(C)(C)C(N)=O ZINC001460153710 985779578 /nfs/dbraw/zinc/77/95/78/985779578.db2.gz VAPBQACVGLGLNN-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CCc1noc(C)c1C[N@@H+](C)C(C)(C)C(N)=O ZINC001460153710 985779595 /nfs/dbraw/zinc/77/95/95/985779595.db2.gz VAPBQACVGLGLNN-UHFFFAOYSA-N 1 2 239.319 1.241 20 0 BDADLO CSC(C)(C)C[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258343630 985819418 /nfs/dbraw/zinc/81/94/18/985819418.db2.gz BWNGRGJOYNURGG-UTLUCORTSA-N 1 2 243.372 1.906 20 0 BDADLO CSC(C)(C)C[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258343630 985819430 /nfs/dbraw/zinc/81/94/30/985819430.db2.gz BWNGRGJOYNURGG-UTLUCORTSA-N 1 2 243.372 1.906 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)nc1 ZINC001460895169 985928780 /nfs/dbraw/zinc/92/87/80/985928780.db2.gz ALMIGNNRHHHJHM-JSGCOSHPSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)nc1 ZINC001460895169 985928798 /nfs/dbraw/zinc/92/87/98/985928798.db2.gz ALMIGNNRHHHJHM-JSGCOSHPSA-N 1 2 249.333 1.618 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@@H+]1C[C@H](O)C1CC1 ZINC001460939187 985952440 /nfs/dbraw/zinc/95/24/40/985952440.db2.gz SIYXSGFROGUDRR-SCZZXKLOSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@H+]1C[C@H](O)C1CC1 ZINC001460939187 985952457 /nfs/dbraw/zinc/95/24/57/985952457.db2.gz SIYXSGFROGUDRR-SCZZXKLOSA-N 1 2 219.275 1.877 20 0 BDADLO COc1cc(Nc2cnc(N)nc2)cc(C)[nH+]1 ZINC001212961214 985961334 /nfs/dbraw/zinc/96/13/34/985961334.db2.gz FHNXPIIVNNZUAR-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO Nc1ncc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001212962199 985969717 /nfs/dbraw/zinc/96/97/17/985969717.db2.gz GTTGYVZTQSUMCO-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO C[C@H]([NH2+]Cc1ccoc1)c1ccn(C)n1 ZINC001461563893 986081213 /nfs/dbraw/zinc/08/12/13/986081213.db2.gz CXRWTVWUDZXECY-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO Fc1cc(C[NH2+]Cc2nccs2)ccn1 ZINC001461671183 986103261 /nfs/dbraw/zinc/10/32/61/986103261.db2.gz JYLCEXCVASRIQD-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO CCCn1c[nH+]cc1CN1C[C@H](C)OC[C@H]1C ZINC001461887784 986220739 /nfs/dbraw/zinc/22/07/39/986220739.db2.gz KPJVTXKGJYHISB-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cc(F)c(C(N)=O)c(F)c1 ZINC001244676295 986302040 /nfs/dbraw/zinc/30/20/40/986302040.db2.gz FDKJDMOFRWLVBN-JKEDICHKSA-N 1 2 238.237 1.939 20 0 BDADLO Cc1cn2c(cccc2-c2cnn(CCO)c2)[nH+]1 ZINC001206562372 986360024 /nfs/dbraw/zinc/36/00/24/986360024.db2.gz GLVRSIUNUDDXKV-UHFFFAOYSA-N 1 2 242.282 1.499 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H](O)C(C)C)CCCC1 ZINC001253751923 986373665 /nfs/dbraw/zinc/37/36/65/986373665.db2.gz HJCULCPJIVRKBH-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CCOc1cc(NC[C@@H](O)C(C)C)cc[nH+]1 ZINC001253752971 986376650 /nfs/dbraw/zinc/37/66/50/986376650.db2.gz KJTXGSYWTNEPTK-LLVKDONJSA-N 1 2 224.304 1.909 20 0 BDADLO CCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096550786 986448584 /nfs/dbraw/zinc/44/85/84/986448584.db2.gz VBCHJAVBCWPEKW-LLVKDONJSA-N 1 2 248.330 1.502 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)OC2CCC2)c1 ZINC001463839019 986582134 /nfs/dbraw/zinc/58/21/34/986582134.db2.gz KADGBWPTDFOIFI-UHFFFAOYSA-N 1 2 223.276 1.241 20 0 BDADLO CCc1ccc(N2C[C@H](CO)OC[C@H]2C)[nH+]c1 ZINC001262687755 986598881 /nfs/dbraw/zinc/59/88/81/986598881.db2.gz WCNHSHBJZLLJBE-ZYHUDNBSSA-N 1 2 236.315 1.230 20 0 BDADLO Cc1c(CN2CCC(=O)C2)[nH+]c2ccccn12 ZINC001137272283 986704911 /nfs/dbraw/zinc/70/49/11/986704911.db2.gz PCCCSTSFHGZKFN-UHFFFAOYSA-N 1 2 229.283 1.418 20 0 BDADLO CCN(Cc1[nH+]c2ccccn2c1C)C1COC1 ZINC001137273864 986713389 /nfs/dbraw/zinc/71/33/89/986713389.db2.gz WCGXNMBUEIJQPO-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001465527874 986726045 /nfs/dbraw/zinc/72/60/45/986726045.db2.gz FAHMUWOFORTUMG-GXSJLCMTSA-N 1 2 235.331 1.908 20 0 BDADLO C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001465689472 986731267 /nfs/dbraw/zinc/73/12/67/986731267.db2.gz HPZINZIWWQDNQA-SNVBAGLBSA-N 1 2 229.283 1.816 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CCC(=O)CC3)n2c1 ZINC001137304911 986738008 /nfs/dbraw/zinc/73/80/08/986738008.db2.gz PUFHGFYFDGWLLA-UHFFFAOYSA-N 1 2 243.310 1.808 20 0 BDADLO Cc1ccc2[nH+]cc(CN3C[C@@H](O)[C@@H](F)C3)n2c1 ZINC001137304692 986740261 /nfs/dbraw/zinc/74/02/61/986740261.db2.gz GHGWLQUCXYUCAO-NWDGAFQWSA-N 1 2 249.289 1.157 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCC23COC3)[nH]1 ZINC001137329695 986784316 /nfs/dbraw/zinc/78/43/16/986784316.db2.gz KGPNBMKODXDCOF-UHFFFAOYSA-N 1 2 206.289 1.606 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCC23COC3)[nH]1 ZINC001137329695 986784322 /nfs/dbraw/zinc/78/43/22/986784322.db2.gz KGPNBMKODXDCOF-UHFFFAOYSA-N 1 2 206.289 1.606 20 0 BDADLO CC(C)=CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001466882079 986831160 /nfs/dbraw/zinc/83/11/60/986831160.db2.gz ZCAUCOVIRISOKL-UHFFFAOYSA-N 1 2 207.277 1.343 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001467324884 986847790 /nfs/dbraw/zinc/84/77/90/986847790.db2.gz CQXIYUGUDUTCLS-JOYOIKCWSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1cc(-c2cnc3c(cnn3C)c2)c[nH+]c1N ZINC001245472495 986862633 /nfs/dbraw/zinc/86/26/33/986862633.db2.gz YVDIQDFHDHGXSO-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)C1 ZINC001137429069 986895368 /nfs/dbraw/zinc/89/53/68/986895368.db2.gz IZCOLOKCUPYMII-LLVKDONJSA-N 1 2 245.326 1.458 20 0 BDADLO Nc1cc(-c2cnc(N)c(F)c2)cc[nH+]1 ZINC001245520431 986899598 /nfs/dbraw/zinc/89/95/98/986899598.db2.gz DWLJWVKUBSNXDT-UHFFFAOYSA-N 1 2 204.208 1.447 20 0 BDADLO Cc1cc(-c2cc3c(cn2)NC(=O)C3)c[nH+]c1N ZINC001245536088 986912978 /nfs/dbraw/zinc/91/29/78/986912978.db2.gz KXHGZOUDORABTC-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO Cc1cc(-c2ccc3nccnc3n2)c[nH+]c1N ZINC001245536485 986916344 /nfs/dbraw/zinc/91/63/44/986916344.db2.gz QYPWPONALILUPF-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)c2ncnn2c1 ZINC001245537599 986917638 /nfs/dbraw/zinc/91/76/38/986917638.db2.gz SBYXHRJZTOGOJS-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2cccc3nncn32)c[nH+]c1N ZINC001245538005 986920352 /nfs/dbraw/zinc/92/03/52/986920352.db2.gz VCAOSQZPYKPPNY-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(c1)NCCO2 ZINC001245546858 986933274 /nfs/dbraw/zinc/93/32/74/986933274.db2.gz QTQYJPZFFDYLJC-UHFFFAOYSA-N 1 2 216.244 1.286 20 0 BDADLO CNc1cc(-c2cnc3c(c2)NCCO3)cc[nH+]1 ZINC001245549800 986938901 /nfs/dbraw/zinc/93/89/01/986938901.db2.gz RPZDBZCNWFOSCO-UHFFFAOYSA-N 1 2 242.282 1.990 20 0 BDADLO Cn1c[nH+]cc1-c1cnc(N)c(Cl)c1 ZINC001245563957 986962008 /nfs/dbraw/zinc/96/20/08/986962008.db2.gz PBXLECQNGXOPSA-UHFFFAOYSA-N 1 2 208.652 1.718 20 0 BDADLO c1cn(CCc2nnc([C@@H]3CCOC3)o2)c[nH+]1 ZINC001255530325 987003790 /nfs/dbraw/zinc/00/37/90/987003790.db2.gz DTTIUEGTWYVTMY-SECBINFHSA-N 1 2 234.259 1.013 20 0 BDADLO COC[C@H](C)[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001255582765 987033390 /nfs/dbraw/zinc/03/33/90/987033390.db2.gz ZQXGPCPNESZMGM-QMMMGPOBSA-N 1 2 221.247 1.131 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646591 987045768 /nfs/dbraw/zinc/04/57/68/987045768.db2.gz PGYYFJFLXYZYJO-BIIVOSGPSA-N 1 2 229.217 1.996 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)CC(F)(F)F)C[C@@H]1F ZINC001255646591 987045782 /nfs/dbraw/zinc/04/57/82/987045782.db2.gz PGYYFJFLXYZYJO-BIIVOSGPSA-N 1 2 229.217 1.996 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccsn1 ZINC001471454376 987093069 /nfs/dbraw/zinc/09/30/69/987093069.db2.gz QHIONRMKGSNXCF-QMMMGPOBSA-N 1 2 239.344 1.954 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccsn1 ZINC001471454376 987093084 /nfs/dbraw/zinc/09/30/84/987093084.db2.gz QHIONRMKGSNXCF-QMMMGPOBSA-N 1 2 239.344 1.954 20 0 BDADLO COC(=O)c1ccc(-c2ccc[nH+]c2N)cc1N ZINC001245905360 987128815 /nfs/dbraw/zinc/12/88/15/987128815.db2.gz WBMOEGXOAYRWEF-UHFFFAOYSA-N 1 2 243.266 1.700 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@H](C)OC)c[nH+]1 ZINC001472018688 987163161 /nfs/dbraw/zinc/16/31/61/987163161.db2.gz JOOGGIOOOGIWLW-QMMMGPOBSA-N 1 2 225.292 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@H](C)OC)[nH+]1 ZINC001472018688 987163172 /nfs/dbraw/zinc/16/31/72/987163172.db2.gz JOOGGIOOOGIWLW-QMMMGPOBSA-N 1 2 225.292 1.013 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2ccccc2)[nH]1 ZINC001245925563 987172156 /nfs/dbraw/zinc/17/21/56/987172156.db2.gz YOFLDMAHUTYUET-UHFFFAOYSA-N 1 2 203.245 1.096 20 0 BDADLO CCCCc1cc(=O)n(Cc2[nH+]ccn2C)[nH]1 ZINC001245927239 987181573 /nfs/dbraw/zinc/18/15/73/987181573.db2.gz RHNAIYQSKZAFNL-UHFFFAOYSA-N 1 2 234.303 1.713 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1Cc1cccc(O)c1 ZINC001245926920 987182401 /nfs/dbraw/zinc/18/24/01/987182401.db2.gz GZZFSEHWFOALOD-UHFFFAOYSA-N 1 2 245.282 1.029 20 0 BDADLO C/C=C(/C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101554403 987188330 /nfs/dbraw/zinc/18/83/30/987188330.db2.gz WYULWLLCIYXHAM-YHYXMXQVSA-N 1 2 248.330 1.622 20 0 BDADLO C[NH+](C)CCn1[nH]c(-c2ccc(N)cc2)cc1=O ZINC001245935575 987201249 /nfs/dbraw/zinc/20/12/49/987201249.db2.gz DJBWBGWCLTZCRH-UHFFFAOYSA-N 1 2 246.314 1.400 20 0 BDADLO Cn1cc[nH+]c1Cn1[nH]c(CC2CCC2)cc1=O ZINC001245938062 987208109 /nfs/dbraw/zinc/20/81/09/987208109.db2.gz YIHPISOPRDHVNP-UHFFFAOYSA-N 1 2 246.314 1.713 20 0 BDADLO [NH3+]CCCN1N=C(c2ccsc2)CC1=O ZINC001245948711 987224965 /nfs/dbraw/zinc/22/49/65/987224965.db2.gz HIFMFTGPFCSJCT-UHFFFAOYSA-N 1 2 223.301 1.666 20 0 BDADLO [NH3+]CCCn1[nH]c(-c2ccsc2)cc1=O ZINC001245948711 987224972 /nfs/dbraw/zinc/22/49/72/987224972.db2.gz HIFMFTGPFCSJCT-UHFFFAOYSA-N 1 2 223.301 1.666 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2csnn2)C[C@@H]1C ZINC001473485422 987438424 /nfs/dbraw/zinc/43/84/24/987438424.db2.gz JZSBEUWSEPIYAB-IQJOONFLSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@H](C)c2csnn2)C[C@@H]1C ZINC001473485422 987438428 /nfs/dbraw/zinc/43/84/28/987438428.db2.gz JZSBEUWSEPIYAB-IQJOONFLSA-N 1 2 241.360 1.956 20 0 BDADLO CC[C@@](COC)([NH2+]CCCCCF)C(=O)OC ZINC001473529714 987468051 /nfs/dbraw/zinc/46/80/51/987468051.db2.gz OJWRFZJACHHLDR-LBPRGKRZSA-N 1 2 249.326 1.684 20 0 BDADLO Cc1cc(C)[nH+]c(CN2NC(=O)C[C@@H]2C)c1 ZINC001473533840 987472285 /nfs/dbraw/zinc/47/22/85/987472285.db2.gz OEPQCLGFTIWCMZ-JTQLQIEISA-N 1 2 219.288 1.324 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC(OC2CCC2)CC1 ZINC001473562810 987483920 /nfs/dbraw/zinc/48/39/20/987483920.db2.gz SPQOJHZFCNVEAU-GFCCVEGCSA-N 1 2 239.315 1.335 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001116395300 987552324 /nfs/dbraw/zinc/55/23/24/987552324.db2.gz BREKPMMCJTVNLF-SECBINFHSA-N 1 2 246.270 1.038 20 0 BDADLO CC[C@@H](CSC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116483999 987600849 /nfs/dbraw/zinc/60/08/49/987600849.db2.gz LSCQTXCAMFESCC-UWVGGRQHSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CN1 ZINC001246217926 987616722 /nfs/dbraw/zinc/61/67/22/987616722.db2.gz NLQOQHHKYHBQKL-GWOFURMSSA-N 1 2 200.301 1.465 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C)ncn2)nn1 ZINC001474098565 987643163 /nfs/dbraw/zinc/64/31/63/987643163.db2.gz FMYJIFYAASOWFE-UHFFFAOYSA-N 1 2 229.287 1.173 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001474219589 987662329 /nfs/dbraw/zinc/66/23/29/987662329.db2.gz GYZLGDKAKNYZFK-UHFFFAOYSA-N 1 2 227.271 1.576 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC001116771979 987702802 /nfs/dbraw/zinc/70/28/02/987702802.db2.gz XMBHPQFIXJAPLS-QWRGUYRKSA-N 1 2 237.303 1.149 20 0 BDADLO c1nc(C[N@@H+]2CCCOCC2)cn1C1CC1 ZINC001474378186 987703600 /nfs/dbraw/zinc/70/36/00/987703600.db2.gz KJZUCVFWFNSVDN-UHFFFAOYSA-N 1 2 221.304 1.440 20 0 BDADLO c1nc(C[N@H+]2CCCOCC2)cn1C1CC1 ZINC001474378186 987703612 /nfs/dbraw/zinc/70/36/12/987703612.db2.gz KJZUCVFWFNSVDN-UHFFFAOYSA-N 1 2 221.304 1.440 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC001116771978 987704402 /nfs/dbraw/zinc/70/44/02/987704402.db2.gz XMBHPQFIXJAPLS-GHMZBOCLSA-N 1 2 237.303 1.149 20 0 BDADLO C[C@H](C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC001116831010 987724978 /nfs/dbraw/zinc/72/49/78/987724978.db2.gz GUEJXHYTFCCMAU-CHWFTXMASA-N 1 2 219.288 1.359 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cnc(C2CC2)nc1 ZINC001474547894 987756242 /nfs/dbraw/zinc/75/62/42/987756242.db2.gz NZHDDIZYBXGNDV-UHFFFAOYSA-N 1 2 248.330 1.051 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cnc(C2CC2)nc1 ZINC001474547894 987756244 /nfs/dbraw/zinc/75/62/44/987756244.db2.gz NZHDDIZYBXGNDV-UHFFFAOYSA-N 1 2 248.330 1.051 20 0 BDADLO OCCCOCC[NH2+]Cc1n[nH]c2ccccc21 ZINC001117137853 987785592 /nfs/dbraw/zinc/78/55/92/987785592.db2.gz RGQGMVDQJPABBA-UHFFFAOYSA-N 1 2 249.314 1.052 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001478482647 987877237 /nfs/dbraw/zinc/87/72/37/987877237.db2.gz MSWVMOPLAABNEE-VWYCJHECSA-N 1 2 248.330 1.248 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC/C=C/C1CC1 ZINC001117788539 987916761 /nfs/dbraw/zinc/91/67/61/987916761.db2.gz YWSXXSHQNYYGAF-KXMPLOMGSA-N 1 2 248.330 1.537 20 0 BDADLO CCC[N@H+](CCNC(C)=O)Cc1cc(C)on1 ZINC001493270773 988077723 /nfs/dbraw/zinc/07/77/23/988077723.db2.gz UOXZBEKMCABLIR-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO CCC[N@@H+](CCNC(C)=O)Cc1cc(C)on1 ZINC001493270773 988077739 /nfs/dbraw/zinc/07/77/39/988077739.db2.gz UOXZBEKMCABLIR-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO CCCCC[NH+]1CC(NC(=O)C(F)F)C1 ZINC001494332342 988130205 /nfs/dbraw/zinc/13/02/05/988130205.db2.gz BIMKQCHBALUPKZ-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cn(C)nn2)c(C)n1 ZINC001118233662 988135686 /nfs/dbraw/zinc/13/56/86/988135686.db2.gz UHGXOFHXEIRKOX-QMMMGPOBSA-N 1 2 246.318 1.073 20 0 BDADLO C[C@@H](C(=O)Nc1nncn1C1CC1)n1cc[nH+]c1 ZINC001322143090 988142363 /nfs/dbraw/zinc/14/23/63/988142363.db2.gz QVHXZXCLOPGJEW-QMMMGPOBSA-N 1 2 246.274 1.009 20 0 BDADLO CC1(C)C[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)CO1 ZINC001246603462 988213391 /nfs/dbraw/zinc/21/33/91/988213391.db2.gz YTVWKDKWIWSMGA-RKDXNWHRSA-N 1 2 234.290 1.222 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC001322790825 988381603 /nfs/dbraw/zinc/38/16/03/988381603.db2.gz YUWHNEDZUIXKBP-UTLUCORTSA-N 1 2 207.277 1.359 20 0 BDADLO C[NH+](C)Cc1nnc(CC[C@H]2CCCCO2)o1 ZINC001322983682 988423475 /nfs/dbraw/zinc/42/34/75/988423475.db2.gz NNXACTVRRXXKOY-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cc2nnc[nH]2)CC1 ZINC001118556432 988433270 /nfs/dbraw/zinc/43/32/70/988433270.db2.gz GTNKXHKXCFHRFH-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001118556432 988433275 /nfs/dbraw/zinc/43/32/75/988433275.db2.gz GTNKXHKXCFHRFH-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001118624969 988483776 /nfs/dbraw/zinc/48/37/76/988483776.db2.gz SCIAWLUCOSLBQU-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO C/C=C(/C)C(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001498955136 988526973 /nfs/dbraw/zinc/52/69/73/988526973.db2.gz KYIPNNIWGTVGMO-KSXVILFYSA-N 1 2 214.284 1.113 20 0 BDADLO C/C=C(/C)C(=O)NC[C@H]1CC[N@H+]1CCF ZINC001498955136 988526989 /nfs/dbraw/zinc/52/69/89/988526989.db2.gz KYIPNNIWGTVGMO-KSXVILFYSA-N 1 2 214.284 1.113 20 0 BDADLO C[C@@H](C(=O)NC[C@@]1(C)CCCO1)n1cc[nH+]c1 ZINC001323739607 988602100 /nfs/dbraw/zinc/60/21/00/988602100.db2.gz YKILUHWSJYIEJB-CMPLNLGQSA-N 1 2 237.303 1.129 20 0 BDADLO Cc1ncoc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001118794413 988602868 /nfs/dbraw/zinc/60/28/68/988602868.db2.gz XSTIJFSVWZHKKK-QMMMGPOBSA-N 1 2 232.243 1.054 20 0 BDADLO Cc1ncccc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001118890499 988672981 /nfs/dbraw/zinc/67/29/81/988672981.db2.gz MFEDODMBWKIKSI-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO C[C@@H](C[NH+](C)C)[NH2+]C1CCC(CC(=O)[O-])CC1 ZINC001599836171 988747144 /nfs/dbraw/zinc/74/71/44/988747144.db2.gz TZMKZFJTBFEKOQ-UNXYVOJBSA-N 1 2 242.363 1.560 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001324233315 988766448 /nfs/dbraw/zinc/76/64/48/988766448.db2.gz HIUGZKUSFQPRKK-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001324233315 988766459 /nfs/dbraw/zinc/76/64/59/988766459.db2.gz HIUGZKUSFQPRKK-ZDUSSCGKSA-N 1 2 237.347 1.703 20 0 BDADLO c1cn(Cc2nnc(-c3cccnc3)o2)c[nH+]1 ZINC001324256612 988770878 /nfs/dbraw/zinc/77/08/78/988770878.db2.gz BFZZYHJIJKJBMH-UHFFFAOYSA-N 1 2 227.227 1.376 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001324316429 988794539 /nfs/dbraw/zinc/79/45/39/988794539.db2.gz CKHJNAXYJKQFLY-YYRQZUAOSA-N 1 2 245.326 1.528 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ccnn1C ZINC001119055326 988822246 /nfs/dbraw/zinc/82/22/46/988822246.db2.gz SASZWYSVYFIURM-NXEZZACHSA-N 1 2 247.302 1.055 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(CO)o2)ncn1 ZINC001324468366 988849075 /nfs/dbraw/zinc/84/90/75/988849075.db2.gz MVUGPXCXBVQTRK-UHFFFAOYSA-N 1 2 233.271 1.160 20 0 BDADLO C[C@@H](O)c1ncc(C[NH2+]Cc2ncc[nH]2)s1 ZINC001119246873 988862115 /nfs/dbraw/zinc/86/21/15/988862115.db2.gz KJVLTIXYTCKGEY-SSDOTTSWSA-N 1 2 238.316 1.209 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CC[C@@H](O)C(C)C)C1CC1 ZINC001119253197 988865467 /nfs/dbraw/zinc/86/54/67/988865467.db2.gz BXDBZJUAACNOMG-NEPJUHHUSA-N 1 2 243.347 1.325 20 0 BDADLO CC(=O)c1ccc(-c2noc(C[NH3+])n2)cc1 ZINC001247387123 988871891 /nfs/dbraw/zinc/87/18/91/988871891.db2.gz XLTVMKKFRROXMY-UHFFFAOYSA-N 1 2 217.228 1.398 20 0 BDADLO O=C([O-])[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001601793715 988889843 /nfs/dbraw/zinc/88/98/43/988889843.db2.gz KCJBEIPEUCCVSU-UTLUCORTSA-N 1 2 249.314 1.110 20 0 BDADLO Cc1ccc(-c2noc([C@H]([NH3+])CO)n2)c(C)c1 ZINC001247491690 988904280 /nfs/dbraw/zinc/90/42/80/988904280.db2.gz SFFDWCPBPAXVAD-SNVBAGLBSA-N 1 2 233.271 1.346 20 0 BDADLO CC(C)(C)CNC(=S)NCCn1cc[nH+]c1 ZINC001247931532 989029815 /nfs/dbraw/zinc/02/98/15/989029815.db2.gz PBFJHPDVPOEGFV-UHFFFAOYSA-N 1 2 240.376 1.393 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C(=O)CC2(C)C)C[C@@H]1F ZINC001324987286 989038963 /nfs/dbraw/zinc/03/89/63/989038963.db2.gz DYRNAWJOZPDSNR-ZJUUUORDSA-N 1 2 228.311 1.635 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C(=O)CC2(C)C)C[C@@H]1F ZINC001324987286 989038977 /nfs/dbraw/zinc/03/89/77/989038977.db2.gz DYRNAWJOZPDSNR-ZJUUUORDSA-N 1 2 228.311 1.635 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001324976988 989039859 /nfs/dbraw/zinc/03/98/59/989039859.db2.gz UQGRKMWANSPPOO-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001324976988 989039872 /nfs/dbraw/zinc/03/98/72/989039872.db2.gz UQGRKMWANSPPOO-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC001247960735 989050782 /nfs/dbraw/zinc/05/07/82/989050782.db2.gz CLVSMCQIFREBBY-BDAKNGLRSA-N 1 2 248.286 1.475 20 0 BDADLO Oc1cnc(NCCCCn2cc[nH+]c2)nc1 ZINC001515606233 989074269 /nfs/dbraw/zinc/07/42/69/989074269.db2.gz PBDWMKGKHPUACY-UHFFFAOYSA-N 1 2 233.275 1.271 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)(C)O ZINC001325063554 989074950 /nfs/dbraw/zinc/07/49/50/989074950.db2.gz LZIJGXGIHJWTMU-VHSXEESVSA-N 1 2 239.319 1.110 20 0 BDADLO CCc1ccc(N2CCCN(CC)C(=O)C2)[nH+]c1 ZINC001515684316 989100171 /nfs/dbraw/zinc/10/01/71/989100171.db2.gz VIFZSQQJCKOTJW-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO CCOC(=O)C1([NH2+]CC[C@H](C)O)CCCC1 ZINC001325181006 989109764 /nfs/dbraw/zinc/10/97/64/989109764.db2.gz IQGMZVUFLOLTDI-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H](C)n2cccc2)[nH+]c1C ZINC001119521197 989120266 /nfs/dbraw/zinc/12/02/66/989120266.db2.gz NNPSYVKBQJONON-NSHDSACASA-N 1 2 246.314 1.705 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)n[nH]1 ZINC001119515274 989122463 /nfs/dbraw/zinc/12/24/63/989122463.db2.gz BAPKBYBPNAEKGM-VXGBXAGGSA-N 1 2 223.320 1.453 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)n[nH]1 ZINC001119515274 989122470 /nfs/dbraw/zinc/12/24/70/989122470.db2.gz BAPKBYBPNAEKGM-VXGBXAGGSA-N 1 2 223.320 1.453 20 0 BDADLO COCC1(c2noc([C@@H](C)n3cc[nH+]c3)n2)CC1 ZINC001119524337 989124403 /nfs/dbraw/zinc/12/44/03/989124403.db2.gz KYIJAMPTWDWYFN-SECBINFHSA-N 1 2 248.286 1.553 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H]([S@@](C)=O)C2)cc[nH+]1 ZINC001516062947 989138974 /nfs/dbraw/zinc/13/89/74/989138974.db2.gz GEBQVSBEOSSZQQ-XIZWVBILSA-N 1 2 239.344 1.497 20 0 BDADLO CCc1nc(N2CC[C@@]3(CCOC3=O)C2)cc[nH+]1 ZINC001516291621 989145787 /nfs/dbraw/zinc/14/57/87/989145787.db2.gz GZKCUYZNVOQDKR-CYBMUJFWSA-N 1 2 247.298 1.182 20 0 BDADLO Cn1c(=O)cccc1C[N@H+](C)Cc1cncs1 ZINC001248809454 989172245 /nfs/dbraw/zinc/17/22/45/989172245.db2.gz YDZSJYOJOYOXLH-UHFFFAOYSA-N 1 2 249.339 1.474 20 0 BDADLO Cn1c(=O)cccc1C[N@@H+](C)Cc1cncs1 ZINC001248809454 989172252 /nfs/dbraw/zinc/17/22/52/989172252.db2.gz YDZSJYOJOYOXLH-UHFFFAOYSA-N 1 2 249.339 1.474 20 0 BDADLO COCC[N@H+](C)Cc1nc2cc(C)ccc2[nH]1 ZINC001248839618 989189530 /nfs/dbraw/zinc/18/95/30/989189530.db2.gz QAPNLDOWFQPHID-UHFFFAOYSA-N 1 2 233.315 1.950 20 0 BDADLO COCC[N@@H+](C)Cc1nc2cc(C)ccc2[nH]1 ZINC001248839618 989189540 /nfs/dbraw/zinc/18/95/40/989189540.db2.gz QAPNLDOWFQPHID-UHFFFAOYSA-N 1 2 233.315 1.950 20 0 BDADLO COCC[N@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC001248839618 989189549 /nfs/dbraw/zinc/18/95/49/989189549.db2.gz QAPNLDOWFQPHID-UHFFFAOYSA-N 1 2 233.315 1.950 20 0 BDADLO COCC[N@@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC001248839618 989189555 /nfs/dbraw/zinc/18/95/55/989189555.db2.gz QAPNLDOWFQPHID-UHFFFAOYSA-N 1 2 233.315 1.950 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001248859316 989200930 /nfs/dbraw/zinc/20/09/30/989200930.db2.gz NMAWYLVDZVYOFQ-QMMMGPOBSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001248859316 989200941 /nfs/dbraw/zinc/20/09/41/989200941.db2.gz NMAWYLVDZVYOFQ-QMMMGPOBSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001248859315 989202393 /nfs/dbraw/zinc/20/23/93/989202393.db2.gz NMAWYLVDZVYOFQ-MRVPVSSYSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001248859315 989202402 /nfs/dbraw/zinc/20/24/02/989202402.db2.gz NMAWYLVDZVYOFQ-MRVPVSSYSA-N 1 2 231.246 1.855 20 0 BDADLO COCC1C[NH+](Cc2nc(C)cc(C)n2)C1 ZINC001248933191 989219702 /nfs/dbraw/zinc/21/97/02/989219702.db2.gz RVRXNXYWYMUCKK-UHFFFAOYSA-N 1 2 221.304 1.172 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2nc(C)cc(C)n2)C1 ZINC001248982607 989238338 /nfs/dbraw/zinc/23/83/38/989238338.db2.gz HRKGWRAMLUKAGN-LLVKDONJSA-N 1 2 235.331 1.560 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2nc(C)cc(C)n2)C1 ZINC001248982608 989239802 /nfs/dbraw/zinc/23/98/02/989239802.db2.gz HRKGWRAMLUKAGN-NSHDSACASA-N 1 2 235.331 1.560 20 0 BDADLO CC(=O)OC1C[NH+](Cc2cccc3c2CCC3)C1 ZINC001249458320 989283410 /nfs/dbraw/zinc/28/34/10/989283410.db2.gz QALZKNIUEQEAQU-UHFFFAOYSA-N 1 2 245.322 1.923 20 0 BDADLO COC(=O)c1cc(F)ccc1C[NH+]1CC=CC1 ZINC001249600316 989323648 /nfs/dbraw/zinc/32/36/48/989323648.db2.gz LZUPTHYGAULLRG-UHFFFAOYSA-N 1 2 235.258 1.984 20 0 BDADLO CC(C)c1nnc(NC(=O)c2coc(C[NH3+])c2)[nH]1 ZINC001326029843 989332346 /nfs/dbraw/zinc/33/23/46/989332346.db2.gz BFZSPQNIAJADED-UHFFFAOYSA-N 1 2 249.274 1.232 20 0 BDADLO CC(C)c1n[nH]c(NC(=O)c2coc(C[NH3+])c2)n1 ZINC001326029843 989332359 /nfs/dbraw/zinc/33/23/59/989332359.db2.gz BFZSPQNIAJADED-UHFFFAOYSA-N 1 2 249.274 1.232 20 0 BDADLO C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC001599871966 989364142 /nfs/dbraw/zinc/36/41/42/989364142.db2.gz TUCPEXAJMOPGNB-BXKDBHETSA-N 1 2 234.299 1.082 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)CC1(O)CCC1 ZINC001119815641 989419652 /nfs/dbraw/zinc/41/96/52/989419652.db2.gz BEJSJFWORRGEMH-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)CC1(O)CCC1 ZINC001119815641 989419676 /nfs/dbraw/zinc/41/96/76/989419676.db2.gz BEJSJFWORRGEMH-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@@H](C1CC1)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC001119843762 989431152 /nfs/dbraw/zinc/43/11/52/989431152.db2.gz GIINLIUMMCOMBL-CBAPKCEASA-N 1 2 205.248 1.487 20 0 BDADLO C[C@@H](C1CC1)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC001119843762 989431161 /nfs/dbraw/zinc/43/11/61/989431161.db2.gz GIINLIUMMCOMBL-CBAPKCEASA-N 1 2 205.248 1.487 20 0 BDADLO CC1CC(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC001119844500 989435108 /nfs/dbraw/zinc/43/51/08/989435108.db2.gz SPFUAGSRGVHKHI-RTBKNWGFSA-N 1 2 219.275 1.734 20 0 BDADLO CC1CC(C[N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC001119844500 989435115 /nfs/dbraw/zinc/43/51/15/989435115.db2.gz SPFUAGSRGVHKHI-RTBKNWGFSA-N 1 2 219.275 1.734 20 0 BDADLO CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001119834797 989435148 /nfs/dbraw/zinc/43/51/48/989435148.db2.gz QNEZVJPFOXFLAC-UHFFFAOYSA-N 1 2 233.271 1.329 20 0 BDADLO CCc1cc(N2C[C@H](O)C3(CC3)C2)nc(CC)[nH+]1 ZINC001120037604 989569497 /nfs/dbraw/zinc/56/94/97/989569497.db2.gz IAYPURRILYZZDD-NSHDSACASA-N 1 2 247.342 1.563 20 0 BDADLO Cc1ncoc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001120047458 989579274 /nfs/dbraw/zinc/57/92/74/989579274.db2.gz KYITYPWDQBMRDB-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1ncoc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001120047458 989579287 /nfs/dbraw/zinc/57/92/87/989579287.db2.gz KYITYPWDQBMRDB-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1ncc(CNc2cc(N(C)C)nc[nH+]2)o1 ZINC001120052091 989581052 /nfs/dbraw/zinc/58/10/52/989581052.db2.gz JCFISLKHRUJQNU-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1ncc(CNc2cc(N(C)C)[nH+]cn2)o1 ZINC001120052091 989581062 /nfs/dbraw/zinc/58/10/62/989581062.db2.gz JCFISLKHRUJQNU-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO CC[C@H](C)CC(=O)NCCc1[nH+]ccn1C ZINC001520633247 989583045 /nfs/dbraw/zinc/58/30/45/989583045.db2.gz VQHVRBSTKOTSOI-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001520646633 989588321 /nfs/dbraw/zinc/58/83/21/989588321.db2.gz GTVXCQSGDFQNRJ-WDEREUQCSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1nc(NCC[C@H](O)C2CC2)cc[nH+]1 ZINC001120070645 989588904 /nfs/dbraw/zinc/58/89/04/989588904.db2.gz KBBBWUDMJUGEJM-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO CCN(OC)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001520702294 989591245 /nfs/dbraw/zinc/59/12/45/989591245.db2.gz YIGJQKXQYUUAOF-NSHDSACASA-N 1 2 239.319 1.880 20 0 BDADLO COC(=O)C[C@H](C)Nc1nc(C)[nH+]cc1C ZINC001120073148 989591330 /nfs/dbraw/zinc/59/13/30/989591330.db2.gz ZUPWFSIAMJSSDO-QMMMGPOBSA-N 1 2 223.276 1.457 20 0 BDADLO CCn1cccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001520994673 989630788 /nfs/dbraw/zinc/63/07/88/989630788.db2.gz HJILFPYHSFUDIF-UHFFFAOYSA-N 1 2 244.298 1.402 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccon1 ZINC001326790315 989713192 /nfs/dbraw/zinc/71/31/92/989713192.db2.gz QIEJADFLGWZRSL-VIFPVBQESA-N 1 2 248.286 1.235 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccon1 ZINC001326790315 989713203 /nfs/dbraw/zinc/71/32/03/989713203.db2.gz QIEJADFLGWZRSL-VIFPVBQESA-N 1 2 248.286 1.235 20 0 BDADLO COC1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC001120791635 989884223 /nfs/dbraw/zinc/88/42/23/989884223.db2.gz ZGXGTTNHQBNKMS-UHFFFAOYSA-N 1 2 236.319 1.158 20 0 BDADLO COC1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC001120791635 989884227 /nfs/dbraw/zinc/88/42/27/989884227.db2.gz ZGXGTTNHQBNKMS-UHFFFAOYSA-N 1 2 236.319 1.158 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001121048057 990004040 /nfs/dbraw/zinc/00/40/40/990004040.db2.gz ZGXNIHPFSVEHTK-WHGOUJPWSA-N 1 2 208.236 1.374 20 0 BDADLO CCc1nc(C(=O)Nc2c(C)c[nH+]cc2C)co1 ZINC001121230740 990054111 /nfs/dbraw/zinc/05/41/11/990054111.db2.gz CVSKVRUXEOGSLF-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO CS/C=C/C(=O)OCCCc1c[nH+]cn1C ZINC001525846899 990080659 /nfs/dbraw/zinc/08/06/59/990080659.db2.gz FXJYYWRDALAWGQ-FNORWQNLSA-N 1 2 240.328 1.773 20 0 BDADLO CN(CC(F)(F)F)C(=O)CCc1[nH+]ccn1C ZINC001527484035 990227665 /nfs/dbraw/zinc/22/76/65/990227665.db2.gz VLPAYIXXDJSECR-UHFFFAOYSA-N 1 2 249.236 1.373 20 0 BDADLO C=C/C(C)=C/CC(=O)NCCc1[nH+]ccn1C ZINC001528968712 990324509 /nfs/dbraw/zinc/32/45/09/990324509.db2.gz AIIJEYAIJFNHEH-VZUCSPMQSA-N 1 2 233.315 1.601 20 0 BDADLO CSCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC001535317155 990467380 /nfs/dbraw/zinc/46/73/80/990467380.db2.gz YHTBKEVWOWVQGW-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001122947510 990468550 /nfs/dbraw/zinc/46/85/50/990468550.db2.gz ZVFZPAZJSYUPRQ-JQWIXIFHSA-N 1 2 248.326 1.961 20 0 BDADLO C[C@@H](CC(=O)OCC1CSC1)n1cc[nH+]c1 ZINC001123035932 990494645 /nfs/dbraw/zinc/49/46/45/990494645.db2.gz ZXIGUAMDYRPPHD-VIFPVBQESA-N 1 2 240.328 1.740 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OC1CSC1 ZINC001123293924 990541570 /nfs/dbraw/zinc/54/15/70/990541570.db2.gz ANXJVYHVDRGUSH-SNVBAGLBSA-N 1 2 229.345 1.519 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OC1CSC1 ZINC001123293924 990541574 /nfs/dbraw/zinc/54/15/74/990541574.db2.gz ANXJVYHVDRGUSH-SNVBAGLBSA-N 1 2 229.345 1.519 20 0 BDADLO CCn1c[nH+]cc1COC(=O)/C=C/COC ZINC001123473556 990589658 /nfs/dbraw/zinc/58/96/58/990589658.db2.gz UAJZOSJPRDUCNY-SNAWJCMRSA-N 1 2 224.260 1.149 20 0 BDADLO CCNc1cc(CNC(=O)N(C)C2CC2)cc[nH+]1 ZINC001123622159 990630039 /nfs/dbraw/zinc/63/00/39/990630039.db2.gz PXYWLSGRUHCBLZ-UHFFFAOYSA-N 1 2 248.330 1.817 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC=CO1 ZINC001540799771 990648216 /nfs/dbraw/zinc/64/82/16/990648216.db2.gz UDJWIVSLNYYPQG-WDEREUQCSA-N 1 2 235.287 1.081 20 0 BDADLO CCN(CC(F)(F)F)C(=O)Cc1c[nH+]cn1C ZINC001542440001 990665096 /nfs/dbraw/zinc/66/50/96/990665096.db2.gz KIUBNKASTBDSHO-UHFFFAOYSA-N 1 2 249.236 1.373 20 0 BDADLO CCCC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001124059137 990746632 /nfs/dbraw/zinc/74/66/32/990746632.db2.gz KGNUYDSCTVIGHQ-UHFFFAOYSA-N 1 2 225.292 1.153 20 0 BDADLO CCC/C(C)=C\C(=O)NCCc1[nH+]ccn1C ZINC001124080200 990748750 /nfs/dbraw/zinc/74/87/50/990748750.db2.gz IVYQRXCVQPNZIL-KHPPLWFESA-N 1 2 235.331 1.825 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cscn2)CC[C@H]1F ZINC001137591269 990825368 /nfs/dbraw/zinc/82/53/68/990825368.db2.gz GGGULDAJCNWWPQ-ZJUUUORDSA-N 1 2 230.308 1.438 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cscn2)CC[C@H]1F ZINC001137591269 990825372 /nfs/dbraw/zinc/82/53/72/990825372.db2.gz GGGULDAJCNWWPQ-ZJUUUORDSA-N 1 2 230.308 1.438 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000829627017 990864534 /nfs/dbraw/zinc/86/45/34/990864534.db2.gz SCCXZFGIOIFEIC-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001556943508 990865289 /nfs/dbraw/zinc/86/52/89/990865289.db2.gz ZJTIDFKOSIOHPK-WZRBSPASSA-N 1 2 235.331 1.995 20 0 BDADLO CCC/C=C\C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557842045 990913928 /nfs/dbraw/zinc/91/39/28/990913928.db2.gz TTYQKWMSTNJGJS-PLNGDYQASA-N 1 2 245.326 1.905 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(O)cc(O)c2)C[C@@H]1F ZINC001138324258 990913938 /nfs/dbraw/zinc/91/39/38/990913938.db2.gz LFZIQJSJAGKXLU-PELKAZGASA-N 1 2 225.263 1.888 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(O)cc(O)c2)C[C@@H]1F ZINC001138324258 990913944 /nfs/dbraw/zinc/91/39/44/990913944.db2.gz LFZIQJSJAGKXLU-PELKAZGASA-N 1 2 225.263 1.888 20 0 BDADLO COC(C)(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558560635 990965302 /nfs/dbraw/zinc/96/53/02/990965302.db2.gz JOELNXOVRZTKNM-UHFFFAOYSA-N 1 2 239.319 1.574 20 0 BDADLO COC(C)(C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558560635 990965309 /nfs/dbraw/zinc/96/53/09/990965309.db2.gz JOELNXOVRZTKNM-UHFFFAOYSA-N 1 2 239.319 1.574 20 0 BDADLO COc1ccc2c(C[NH+]3CC(O)C3)c[nH]c2c1 ZINC001138586261 990980118 /nfs/dbraw/zinc/98/01/18/990980118.db2.gz FZUXWHQFYUPCTD-UHFFFAOYSA-N 1 2 232.283 1.353 20 0 BDADLO Cc1n[nH]c(C)c1C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001308415935 990989075 /nfs/dbraw/zinc/98/90/75/990989075.db2.gz CINLZKZDPBZNPK-UHFFFAOYSA-N 1 2 248.334 1.558 20 0 BDADLO NC(=O)C[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC001308418381 990989252 /nfs/dbraw/zinc/98/92/52/990989252.db2.gz VHYZFNWVZRNFEE-LBPRGKRZSA-N 1 2 244.298 1.116 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3[nH]ccc3c2)CCC1=O ZINC001138736970 991022183 /nfs/dbraw/zinc/02/21/83/991022183.db2.gz LJLTVQNJJZOJFT-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2)CCC1=O ZINC001138736970 991022190 /nfs/dbraw/zinc/02/21/90/991022190.db2.gz LJLTVQNJJZOJFT-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO CCOC(=O)CCC[C@H](C)[N@@H+]1CCCC(=O)C1 ZINC001258125052 991027605 /nfs/dbraw/zinc/02/76/05/991027605.db2.gz LQMUXTLTSZPAHJ-NSHDSACASA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)CCC[C@H](C)[N@H+]1CCCC(=O)C1 ZINC001258125052 991027617 /nfs/dbraw/zinc/02/76/17/991027617.db2.gz LQMUXTLTSZPAHJ-NSHDSACASA-N 1 2 241.331 1.773 20 0 BDADLO Fc1ncccc1C[NH+]1CC2(C1)CCOC2 ZINC001138784946 991048192 /nfs/dbraw/zinc/04/81/92/991048192.db2.gz LPRSZDUZBZPGEY-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO OCCOc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001138796537 991059527 /nfs/dbraw/zinc/05/95/27/991059527.db2.gz HUCZDGYUUYOERU-OKILXGFUSA-N 1 2 249.310 1.031 20 0 BDADLO OCCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001138796537 991059538 /nfs/dbraw/zinc/05/95/38/991059538.db2.gz HUCZDGYUUYOERU-OKILXGFUSA-N 1 2 249.310 1.031 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(CO)cs2)CCCO1 ZINC001308614592 991059971 /nfs/dbraw/zinc/05/99/71/991059971.db2.gz AVKDGOOSYOJRHB-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(CO)cs2)CCCO1 ZINC001308614592 991059978 /nfs/dbraw/zinc/05/99/78/991059978.db2.gz AVKDGOOSYOJRHB-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO CC1(CO)C[NH+](Cc2cccc3ccnn32)C1 ZINC001138804325 991061689 /nfs/dbraw/zinc/06/16/89/991061689.db2.gz GFELUOHVBZUULX-UHFFFAOYSA-N 1 2 231.299 1.149 20 0 BDADLO Clc1cc(C[NH+]2CC3(C2)CCOC3)ccn1 ZINC001138818747 991067632 /nfs/dbraw/zinc/06/76/32/991067632.db2.gz YRJSWGCMBGLEFU-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO CSCC[C@@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001258215637 991138573 /nfs/dbraw/zinc/13/85/73/991138573.db2.gz QXWHHYWBTLAIFI-SECBINFHSA-N 1 2 238.347 1.669 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCOCC12CC2 ZINC001139099916 991147714 /nfs/dbraw/zinc/14/77/14/991147714.db2.gz APXJAVWVSXWYBO-UHFFFAOYSA-N 1 2 221.304 1.391 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCOCC12CC2 ZINC001139099916 991147721 /nfs/dbraw/zinc/14/77/21/991147721.db2.gz APXJAVWVSXWYBO-UHFFFAOYSA-N 1 2 221.304 1.391 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc(N)s2)CCC1=O ZINC001139226269 991199641 /nfs/dbraw/zinc/19/96/41/991199641.db2.gz YUECDHIDHBPBOH-MRVPVSSYSA-N 1 2 239.344 1.526 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc(N)s2)CCC1=O ZINC001139226269 991199644 /nfs/dbraw/zinc/19/96/44/991199644.db2.gz YUECDHIDHBPBOH-MRVPVSSYSA-N 1 2 239.344 1.526 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3ncccc3C2)s1 ZINC001139228262 991200131 /nfs/dbraw/zinc/20/01/31/991200131.db2.gz YYLWLXNGOPMBIV-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3ncccc3C2)s1 ZINC001139228262 991200154 /nfs/dbraw/zinc/20/01/54/991200154.db2.gz YYLWLXNGOPMBIV-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](CO)c2ncc[nH]2)cc1 ZINC001308955410 991230861 /nfs/dbraw/zinc/23/08/61/991230861.db2.gz RMMAVQBKZWIURH-ZDUSSCGKSA-N 1 2 245.326 1.795 20 0 BDADLO c1nc(C2([NH2+]CCC[C@@H]3CCO3)CC2)no1 ZINC001308954136 991233272 /nfs/dbraw/zinc/23/32/72/991233272.db2.gz HTZCTSIOLVSBDL-SECBINFHSA-N 1 2 223.276 1.217 20 0 BDADLO CC(C)[N@H+](C)Cc1c(N)ncnc1Cl ZINC001139434880 991238295 /nfs/dbraw/zinc/23/82/95/991238295.db2.gz BCTKPNAUQWJWPB-UHFFFAOYSA-N 1 2 214.700 1.552 20 0 BDADLO CC(C)[N@@H+](C)Cc1c(N)ncnc1Cl ZINC001139434880 991238300 /nfs/dbraw/zinc/23/83/00/991238300.db2.gz BCTKPNAUQWJWPB-UHFFFAOYSA-N 1 2 214.700 1.552 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCCC(=O)CC2)cn1 ZINC001139455574 991243921 /nfs/dbraw/zinc/24/39/21/991243921.db2.gz XJFZOQVPDIPZLB-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCCC(=O)CC2)cn1 ZINC001139455574 991243928 /nfs/dbraw/zinc/24/39/28/991243928.db2.gz XJFZOQVPDIPZLB-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO CCOc1ccc(C)cc1C[NH+]1CC(C)(O)C1 ZINC001139599687 991276492 /nfs/dbraw/zinc/27/64/92/991276492.db2.gz GWRWADWTITUTJI-UHFFFAOYSA-N 1 2 235.327 1.960 20 0 BDADLO COC[C@]1(C)CC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001559855177 991289223 /nfs/dbraw/zinc/28/92/23/991289223.db2.gz STLMIMZYJVOXBL-MWLCHTKSSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@]1(C)CC[N@H+]([C@H](C)c2csnn2)C1 ZINC001559855177 991289239 /nfs/dbraw/zinc/28/92/39/991289239.db2.gz STLMIMZYJVOXBL-MWLCHTKSSA-N 1 2 241.360 1.958 20 0 BDADLO COC(=O)CC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001258366068 991306645 /nfs/dbraw/zinc/30/66/45/991306645.db2.gz JERYOQVGSBNYPA-UTLUCORTSA-N 1 2 235.274 1.710 20 0 BDADLO COC(=O)CC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001258366068 991306655 /nfs/dbraw/zinc/30/66/55/991306655.db2.gz JERYOQVGSBNYPA-UTLUCORTSA-N 1 2 235.274 1.710 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC001559903033 991321506 /nfs/dbraw/zinc/32/15/06/991321506.db2.gz ORGKILBYOHTWPE-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC001559903033 991321513 /nfs/dbraw/zinc/32/15/13/991321513.db2.gz ORGKILBYOHTWPE-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO COC(=O)CC[C@H](C)N1CCn2c[nH+]cc2C1 ZINC001258374616 991327166 /nfs/dbraw/zinc/32/71/66/991327166.db2.gz JIAYTYSEAWFGQP-JTQLQIEISA-N 1 2 237.303 1.040 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)[C@H]1CCCO1 ZINC001340811102 991328874 /nfs/dbraw/zinc/32/88/74/991328874.db2.gz WETZCSAZADSJHZ-VXGBXAGGSA-N 1 2 248.326 1.874 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2cn3ccncc3n2)C1 ZINC001139700158 991331592 /nfs/dbraw/zinc/33/15/92/991331592.db2.gz VDTKFICODBYZMZ-JTQLQIEISA-N 1 2 246.314 1.196 20 0 BDADLO C[N@H+](Cc1cnc2cccnc2c1)C1COC1 ZINC001139741553 991349546 /nfs/dbraw/zinc/34/95/46/991349546.db2.gz MGGNZQUEWOVCDN-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO C[N@@H+](Cc1cnc2cccnc2c1)C1COC1 ZINC001139741553 991349548 /nfs/dbraw/zinc/34/95/48/991349548.db2.gz MGGNZQUEWOVCDN-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO COc1cncc(NC(=O)C[C@H]([NH3+])C(F)F)c1 ZINC001341502701 991352325 /nfs/dbraw/zinc/35/23/25/991352325.db2.gz NYURSKQEFWJFBL-QMMMGPOBSA-N 1 2 245.229 1.011 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001328691818 991396387 /nfs/dbraw/zinc/39/63/87/991396387.db2.gz WNAYIUFNADWOPZ-YYRQZUAOSA-N 1 2 245.326 1.528 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccccc1C1CC1 ZINC001139883456 991409624 /nfs/dbraw/zinc/40/96/24/991409624.db2.gz VGKUSAUHWOBGJR-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccccc1C1CC1 ZINC001139883456 991409629 /nfs/dbraw/zinc/40/96/29/991409629.db2.gz VGKUSAUHWOBGJR-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[C@@H](CC1CC1)[NH+]1CC(O)(C(F)(F)F)C1 ZINC001258466619 991424367 /nfs/dbraw/zinc/42/43/67/991424367.db2.gz YJDKVPMHQMVCTR-ZETCQYMHSA-N 1 2 223.238 1.784 20 0 BDADLO Cn1ncc2ccc(C[N@@H+]3CCC34COC4)cc21 ZINC001139907279 991416055 /nfs/dbraw/zinc/41/60/55/991416055.db2.gz CWFQQOOJIBLWRM-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO Cn1ncc2ccc(C[N@H+]3CCC34COC4)cc21 ZINC001139907279 991416058 /nfs/dbraw/zinc/41/60/58/991416058.db2.gz CWFQQOOJIBLWRM-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO F[C@@H]1CCCC[N@H+](Cc2cccnn2)C1 ZINC001139969979 991433620 /nfs/dbraw/zinc/43/36/20/991433620.db2.gz JJDXEMKQLPFIBD-SNVBAGLBSA-N 1 2 209.268 1.801 20 0 BDADLO F[C@@H]1CCCC[N@@H+](Cc2cccnn2)C1 ZINC001139969979 991433624 /nfs/dbraw/zinc/43/36/24/991433624.db2.gz JJDXEMKQLPFIBD-SNVBAGLBSA-N 1 2 209.268 1.801 20 0 BDADLO COC(=O)[C@@]1(C)COCC[N@@H+]1[C@@H](C)CC1CC1 ZINC001258471284 991435036 /nfs/dbraw/zinc/43/50/36/991435036.db2.gz XWMVTKQGKZEHNB-GXFFZTMASA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@]1(C)COCC[N@H+]1[C@@H](C)CC1CC1 ZINC001258471284 991435040 /nfs/dbraw/zinc/43/50/40/991435040.db2.gz XWMVTKQGKZEHNB-GXFFZTMASA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH2+][C@H](CC)C(=O)OC ZINC001258474505 991445430 /nfs/dbraw/zinc/44/54/30/991445430.db2.gz TZRCAKPQGHQFBV-VHSXEESVSA-N 1 2 245.319 1.259 20 0 BDADLO C/C=C\[C@@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001139979794 991447873 /nfs/dbraw/zinc/44/78/73/991447873.db2.gz BUBHVFVNSMVZRF-MXQLGCADSA-N 1 2 231.255 1.210 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccnnc1 ZINC001139983184 991455358 /nfs/dbraw/zinc/45/53/58/991455358.db2.gz OOLNLLQGNCYQIY-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccnnc1 ZINC001139983184 991455360 /nfs/dbraw/zinc/45/53/60/991455360.db2.gz OOLNLLQGNCYQIY-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO CCCOC1C[NH+]([C@H](C)CCC(=O)OCC)C1 ZINC001258495513 991463286 /nfs/dbraw/zinc/46/32/86/991463286.db2.gz JBLUDRBKOZXTOT-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139986623 991464681 /nfs/dbraw/zinc/46/46/81/991464681.db2.gz AVUQZDPHEWGECM-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)nc1 ZINC001139986623 991464687 /nfs/dbraw/zinc/46/46/87/991464687.db2.gz AVUQZDPHEWGECM-JTQLQIEISA-N 1 2 241.722 1.477 20 0 BDADLO CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC001317223989 991466351 /nfs/dbraw/zinc/46/63/51/991466351.db2.gz XOYIPFXQQLGEMK-HTQZYQBOSA-N 1 2 242.348 1.103 20 0 BDADLO CN1CC[NH+](Cc2cc3ccccc3cn2)CC1 ZINC001139994395 991475295 /nfs/dbraw/zinc/47/52/95/991475295.db2.gz PUJBHGLZNDZDFI-UHFFFAOYSA-N 1 2 241.338 1.982 20 0 BDADLO CSc1nccc(C[N@@H+]2CCCOCC2)n1 ZINC001140033151 991490149 /nfs/dbraw/zinc/49/01/49/991490149.db2.gz SIXKXYXUZMSSBB-UHFFFAOYSA-N 1 2 239.344 1.421 20 0 BDADLO CSc1nccc(C[N@H+]2CCCOCC2)n1 ZINC001140033151 991490153 /nfs/dbraw/zinc/49/01/53/991490153.db2.gz SIXKXYXUZMSSBB-UHFFFAOYSA-N 1 2 239.344 1.421 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ncccc2C)nn1 ZINC001560617973 991518848 /nfs/dbraw/zinc/51/88/48/991518848.db2.gz GZWFXQUZSMTFPT-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@H](C)Cc1cccnc1 ZINC001258610746 991530256 /nfs/dbraw/zinc/53/02/56/991530256.db2.gz WWVUZUIYXLJLRZ-SNVBAGLBSA-N 1 2 236.315 1.554 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(F)n2)CC[C@@H]1F ZINC001140129900 991532272 /nfs/dbraw/zinc/53/22/72/991532272.db2.gz BFNRZNOKUDNMRK-VHSXEESVSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(F)n2)CC[C@@H]1F ZINC001140129900 991532280 /nfs/dbraw/zinc/53/22/80/991532280.db2.gz BFNRZNOKUDNMRK-VHSXEESVSA-N 1 2 228.242 1.125 20 0 BDADLO CC[N@H+](Cc1ccc(O)cc1F)C1CN(C)C1 ZINC001140130010 991534309 /nfs/dbraw/zinc/53/43/09/991534309.db2.gz QRUXDIHFLICTPR-UHFFFAOYSA-N 1 2 238.306 1.667 20 0 BDADLO CC[N@@H+](Cc1ccc(O)cc1F)C1CN(C)C1 ZINC001140130010 991534320 /nfs/dbraw/zinc/53/43/20/991534320.db2.gz QRUXDIHFLICTPR-UHFFFAOYSA-N 1 2 238.306 1.667 20 0 BDADLO C[C@@H](Cc1cccnc1)[NH2+]CC(F)(F)CO ZINC001258617428 991544112 /nfs/dbraw/zinc/54/41/12/991544112.db2.gz ROOGGFOFRQBIOM-VIFPVBQESA-N 1 2 230.258 1.230 20 0 BDADLO Cc1cc(C[NH+]2CC(O)C2)c(C)cc1O ZINC001140197860 991560705 /nfs/dbraw/zinc/56/07/05/991560705.db2.gz WJKCGRZTYWKIML-UHFFFAOYSA-N 1 2 207.273 1.186 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(C)cc1O ZINC001140202610 991561352 /nfs/dbraw/zinc/56/13/52/991561352.db2.gz UBTZDHHYUCCDPY-GXTWGEPZSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(C)cc1O ZINC001140202610 991561362 /nfs/dbraw/zinc/56/13/62/991561362.db2.gz UBTZDHHYUCCDPY-GXTWGEPZSA-N 1 2 233.311 1.982 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](C)Cc1cccnc1 ZINC001258625481 991562383 /nfs/dbraw/zinc/56/23/83/991562383.db2.gz WHIGZIBFVHDLLG-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](C)Cc1cccnc1 ZINC001258625481 991562390 /nfs/dbraw/zinc/56/23/90/991562390.db2.gz WHIGZIBFVHDLLG-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO Oc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)c21 ZINC001140235743 991571683 /nfs/dbraw/zinc/57/16/83/991571683.db2.gz OJYLTIZXXFCNNU-PHIMTYICSA-N 1 2 244.294 1.847 20 0 BDADLO Oc1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)c21 ZINC001140235743 991571696 /nfs/dbraw/zinc/57/16/96/991571696.db2.gz OJYLTIZXXFCNNU-PHIMTYICSA-N 1 2 244.294 1.847 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001203034014 991634708 /nfs/dbraw/zinc/63/47/08/991634708.db2.gz JDPCCLVOOSTNGQ-LLVKDONJSA-N 1 2 244.338 1.496 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001203034014 991634710 /nfs/dbraw/zinc/63/47/10/991634710.db2.gz JDPCCLVOOSTNGQ-LLVKDONJSA-N 1 2 244.338 1.496 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140469688 991647696 /nfs/dbraw/zinc/64/76/96/991647696.db2.gz VVLYKMJAXZFWLM-AOOOYVTPSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140469688 991647698 /nfs/dbraw/zinc/64/76/98/991647698.db2.gz VVLYKMJAXZFWLM-AOOOYVTPSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001140472393 991650802 /nfs/dbraw/zinc/65/08/02/991650802.db2.gz OSFIZXDXNZZDDS-KOLCDFICSA-N 1 2 249.314 1.652 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001140472393 991650803 /nfs/dbraw/zinc/65/08/03/991650803.db2.gz OSFIZXDXNZZDDS-KOLCDFICSA-N 1 2 249.314 1.652 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001140472392 991651256 /nfs/dbraw/zinc/65/12/56/991651256.db2.gz OSFIZXDXNZZDDS-GXSJLCMTSA-N 1 2 249.314 1.652 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001140472392 991651265 /nfs/dbraw/zinc/65/12/65/991651265.db2.gz OSFIZXDXNZZDDS-GXSJLCMTSA-N 1 2 249.314 1.652 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(O)c(F)c2F)C[C@H]1O ZINC001474722930 991660990 /nfs/dbraw/zinc/66/09/90/991660990.db2.gz QWUDYUVARVDDFA-GMSGAONNSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)C[C@H]1O ZINC001474722930 991660993 /nfs/dbraw/zinc/66/09/93/991660993.db2.gz QWUDYUVARVDDFA-GMSGAONNSA-N 1 2 243.253 1.483 20 0 BDADLO Cc1nsc(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001318838047 991725155 /nfs/dbraw/zinc/72/51/55/991725155.db2.gz ITXMFZHGQRMORC-ZCFIWIBFSA-N 1 2 237.288 1.243 20 0 BDADLO C[C@H](C(=O)N(C)Cc1cccn1C)n1cc[nH+]c1 ZINC001319139481 991800579 /nfs/dbraw/zinc/80/05/79/991800579.db2.gz YGNMZDONNIGQPQ-LLVKDONJSA-N 1 2 246.314 1.441 20 0 BDADLO C[C@@H](C(=O)NC1C(C)(C)C1(C)C)n1cc[nH+]c1 ZINC001319143717 991800937 /nfs/dbraw/zinc/80/09/37/991800937.db2.gz WXCVCADIKVNMLN-VIFPVBQESA-N 1 2 235.331 1.995 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)C3CC(=O)C3)cc2[nH+]1 ZINC001566329454 991837530 /nfs/dbraw/zinc/83/75/30/991837530.db2.gz YLABWSJGBACRCE-UHFFFAOYSA-N 1 2 243.266 1.789 20 0 BDADLO C[C@H](CC(=O)N1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001566351360 991841556 /nfs/dbraw/zinc/84/15/56/991841556.db2.gz NCMHHKOAYUBECG-LLVKDONJSA-N 1 2 233.315 1.847 20 0 BDADLO Cc1nc(N2CC[C@H]3OCCC[C@H]3C2)cc[nH+]1 ZINC001319433690 991866382 /nfs/dbraw/zinc/86/63/82/991866382.db2.gz MXTZKWLDUQNSQQ-NWDGAFQWSA-N 1 2 233.315 1.790 20 0 BDADLO COc1ccccc1C[C@H](C)[N@@H+]1CCNC(=O)C1 ZINC001258886578 991888170 /nfs/dbraw/zinc/88/81/70/991888170.db2.gz OPGFKFNGSACLEI-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1C[C@H](C)[N@H+]1CCNC(=O)C1 ZINC001258886578 991888172 /nfs/dbraw/zinc/88/81/72/991888172.db2.gz OPGFKFNGSACLEI-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO Cc1[nH+]cn(C)c1NS(=O)(=O)C1CCCC1 ZINC001259794532 991981750 /nfs/dbraw/zinc/98/17/50/991981750.db2.gz FVILRIXCXCQTME-UHFFFAOYSA-N 1 2 243.332 1.413 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc([C@@H]2CCCO2)o1 ZINC001319873537 992012843 /nfs/dbraw/zinc/01/28/43/992012843.db2.gz NMPYXASFPPAHDV-VIFPVBQESA-N 1 2 249.274 1.267 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001260730942 992146889 /nfs/dbraw/zinc/14/68/89/992146889.db2.gz XTVHUEYEYNVKKV-HBNTYKKESA-N 1 2 248.392 1.139 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001260730942 992146896 /nfs/dbraw/zinc/14/68/96/992146896.db2.gz XTVHUEYEYNVKKV-HBNTYKKESA-N 1 2 248.392 1.139 20 0 BDADLO c1cn(Cc2nnc(Cc3cccnc3)o2)c[nH+]1 ZINC001261212052 992195978 /nfs/dbraw/zinc/19/59/78/992195978.db2.gz POXLAKCRHSKBSH-UHFFFAOYSA-N 1 2 241.254 1.300 20 0 BDADLO C[N@H+](CC[NH3+])[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598487240 992221918 /nfs/dbraw/zinc/22/19/18/992221918.db2.gz GPRQXYVDTTYQNS-SNVBAGLBSA-N 1 2 242.706 1.356 20 0 BDADLO C[N@@H+](CC[NH3+])[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598487240 992221924 /nfs/dbraw/zinc/22/19/24/992221924.db2.gz GPRQXYVDTTYQNS-SNVBAGLBSA-N 1 2 242.706 1.356 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccco1)n1cc[nH+]c1 ZINC001261362498 992272761 /nfs/dbraw/zinc/27/27/61/992272761.db2.gz AOXUSQOYFAZNEA-HBNTYKKESA-N 1 2 245.282 1.709 20 0 BDADLO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccccc2)[nH]n1 ZINC001320637433 992289313 /nfs/dbraw/zinc/28/93/13/992289313.db2.gz NDRRLBBYDCZBGA-LBPRGKRZSA-N 1 2 244.298 1.034 20 0 BDADLO CC[NH2+]CCCN(C)C(=O)C(F)C(F)(F)F ZINC001569204749 992344831 /nfs/dbraw/zinc/34/48/31/992344831.db2.gz ZUDGQWDQOIAEJX-ZETCQYMHSA-N 1 2 244.232 1.345 20 0 BDADLO CC[NH2+]CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001569204749 992344840 /nfs/dbraw/zinc/34/48/40/992344840.db2.gz ZUDGQWDQOIAEJX-ZETCQYMHSA-N 1 2 244.232 1.345 20 0 BDADLO CC(C)(C)/C=C\C(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001569350215 992364958 /nfs/dbraw/zinc/36/49/58/992364958.db2.gz HACBZFKQERVDTE-VLWUPBBWSA-N 1 2 242.338 1.749 20 0 BDADLO CC(C)(C)/C=C\C(=O)NC[C@H]1CC[N@H+]1CCF ZINC001569350215 992364966 /nfs/dbraw/zinc/36/49/66/992364966.db2.gz HACBZFKQERVDTE-VLWUPBBWSA-N 1 2 242.338 1.749 20 0 BDADLO COCC1=CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001321383683 992528332 /nfs/dbraw/zinc/52/83/32/992528332.db2.gz VNDAKMWACHVXAB-LLVKDONJSA-N 1 2 249.314 1.249 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)OC ZINC001262010558 992594930 /nfs/dbraw/zinc/59/49/30/992594930.db2.gz JGZXFJDTYWGJAC-WPRPVWTQSA-N 1 2 227.308 1.844 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CC[C@@H](O)C(C)C)no1 ZINC001262013671 992603371 /nfs/dbraw/zinc/60/33/71/992603371.db2.gz JHWLNEKCOIHSEM-PSASIEDQSA-N 1 2 227.308 1.436 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ocnc2C)[C@@H](C)CO1 ZINC001262111673 992682225 /nfs/dbraw/zinc/68/22/25/992682225.db2.gz MHPKFNFFYZGDHM-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ocnc2C)[C@@H](C)CO1 ZINC001262111673 992682227 /nfs/dbraw/zinc/68/22/27/992682227.db2.gz MHPKFNFFYZGDHM-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1n[nH]cc1CN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001262129751 992691138 /nfs/dbraw/zinc/69/11/38/992691138.db2.gz IAUBWERPEUJMQT-SNVBAGLBSA-N 1 2 247.302 1.134 20 0 BDADLO C[NH2+]CC(=O)OCc1ccc2c(c1)CCCN2C ZINC001573895123 992752136 /nfs/dbraw/zinc/75/21/36/992752136.db2.gz BDCVEWKTKBZMNN-UHFFFAOYSA-N 1 2 248.326 1.332 20 0 BDADLO O=C(Nc1cccc2cc[nH]c21)[C@H]1COCC[NH2+]1 ZINC001574341621 992849298 /nfs/dbraw/zinc/84/92/98/992849298.db2.gz CHLOBDOBEXVCNI-LLVKDONJSA-N 1 2 245.282 1.095 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)cc(C)n1 ZINC001262634783 992987241 /nfs/dbraw/zinc/98/72/41/992987241.db2.gz UXGHFGLTPMTHQZ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1N ZINC001575109075 992988413 /nfs/dbraw/zinc/98/84/13/992988413.db2.gz VNEXYJCUTPTXAW-LLVKDONJSA-N 1 2 239.338 1.871 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@H](CO)C2)[nH+]1 ZINC001262676228 993019238 /nfs/dbraw/zinc/01/92/38/993019238.db2.gz TYGIOZIESBBAPZ-JTQLQIEISA-N 1 2 224.279 1.738 20 0 BDADLO COC[C@@H]1C[C@@H](O)CN1c1cc(F)cc(C)[nH+]1 ZINC001262700934 993042297 /nfs/dbraw/zinc/04/22/97/993042297.db2.gz XFTMMYMIHNGVRK-WDEREUQCSA-N 1 2 240.278 1.115 20 0 BDADLO CN(C)c1cc(NCc2ccncc2)[nH+]cn1 ZINC000585415004 993265091 /nfs/dbraw/zinc/26/50/91/993265091.db2.gz HGERFHZSOVGTIC-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CN(C)c1cc(NCc2ccncc2)nc[nH+]1 ZINC000585415004 993265103 /nfs/dbraw/zinc/26/51/03/993265103.db2.gz HGERFHZSOVGTIC-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO COC(=O)C[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC000381329009 993385062 /nfs/dbraw/zinc/38/50/62/993385062.db2.gz SFGGHIQXUVIZFX-LLVKDONJSA-N 1 2 221.300 1.689 20 0 BDADLO c1c2[nH]c([C@@H]3CCOC3)[nH+]c2cc2c1OCO2 ZINC000586911332 993416795 /nfs/dbraw/zinc/41/67/95/993416795.db2.gz HBHTXLOICSKYRI-SSDOTTSWSA-N 1 2 232.239 1.796 20 0 BDADLO C[C@@H]1OC(C)(C)N[C@H]1C[NH2+]Cc1cnsc1 ZINC001576910786 993452697 /nfs/dbraw/zinc/45/26/97/993452697.db2.gz WFNYOEKJOXSSMS-WPRPVWTQSA-N 1 2 241.360 1.346 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@]1(F)CCOC1 ZINC001263663018 993455262 /nfs/dbraw/zinc/45/52/62/993455262.db2.gz REULVIPGRDHKTE-NSHDSACASA-N 1 2 242.250 1.075 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001263755066 993490689 /nfs/dbraw/zinc/49/06/89/993490689.db2.gz DCOGDMFHYUVIQX-PHIMTYICSA-N 1 2 235.331 1.467 20 0 BDADLO CC[NH+]1CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000384106835 993545023 /nfs/dbraw/zinc/54/50/23/993545023.db2.gz CHAJWNVZVPSUBH-UHFFFAOYSA-N 1 2 236.363 1.265 20 0 BDADLO Cc1cc(-c2ccc(N(C)C)nc2)c[nH+]c1N ZINC000384166712 993551389 /nfs/dbraw/zinc/55/13/89/993551389.db2.gz VKCDVBAFLLBMRI-UHFFFAOYSA-N 1 2 228.299 1.931 20 0 BDADLO CCCN(C(=O)CCc1[nH+]ccn1C)C(C)C ZINC001263859764 993563520 /nfs/dbraw/zinc/56/35/20/993563520.db2.gz YQINNNVYYCDOTH-UHFFFAOYSA-N 1 2 237.347 2.000 20 0 BDADLO COc1ccncc1-c1c[nH+]c(N)c(C)c1 ZINC000390106746 993777268 /nfs/dbraw/zinc/77/72/68/993777268.db2.gz TYFWZEGFXGYPRM-UHFFFAOYSA-N 1 2 215.256 1.873 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cncs2)[nH]1 ZINC000392473942 993860793 /nfs/dbraw/zinc/86/07/93/993860793.db2.gz RPCQZBVKTNEWPI-ZCFIWIBFSA-N 1 2 223.305 1.420 20 0 BDADLO O=C(NC[C@H]1CCCC[N@H+]1CCF)C(F)F ZINC001265638922 993887893 /nfs/dbraw/zinc/88/78/93/993887893.db2.gz LUJQGGRGPWPDDW-MRVPVSSYSA-N 1 2 238.253 1.192 20 0 BDADLO O=C(NC[C@H]1CCCC[N@@H+]1CCF)C(F)F ZINC001265638922 993887894 /nfs/dbraw/zinc/88/78/94/993887894.db2.gz LUJQGGRGPWPDDW-MRVPVSSYSA-N 1 2 238.253 1.192 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(N)n1 ZINC000701868094 993934422 /nfs/dbraw/zinc/93/44/22/993934422.db2.gz OZMKORORRABCLB-LLVKDONJSA-N 1 2 223.295 1.906 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@H](F)C2)c(N)n1 ZINC000701868094 993934432 /nfs/dbraw/zinc/93/44/32/993934432.db2.gz OZMKORORRABCLB-LLVKDONJSA-N 1 2 223.295 1.906 20 0 BDADLO OCCC[C@H]([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001333587719 994479689 /nfs/dbraw/zinc/47/96/89/994479689.db2.gz REKUENMCKRTYSS-LBPRGKRZSA-N 1 2 246.314 1.408 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@H]4COC[C@H]4C3)c12 ZINC001333776971 994519117 /nfs/dbraw/zinc/51/91/17/994519117.db2.gz MCQDJDVUOARJEJ-WDEREUQCSA-N 1 2 244.298 1.202 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(CO)c1 ZINC001290045606 994519253 /nfs/dbraw/zinc/51/92/53/994519253.db2.gz FXNPLZQZMQOWTH-GFCCVEGCSA-N 1 2 234.299 1.212 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(CO)c1 ZINC001290045606 994519261 /nfs/dbraw/zinc/51/92/61/994519261.db2.gz FXNPLZQZMQOWTH-GFCCVEGCSA-N 1 2 234.299 1.212 20 0 BDADLO CONC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001290648064 994552548 /nfs/dbraw/zinc/55/25/48/994552548.db2.gz CDLBPJAPNVZSEH-PHIMTYICSA-N 1 2 249.314 1.730 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)o1 ZINC001334327225 994581156 /nfs/dbraw/zinc/58/11/56/994581156.db2.gz PJDOCVSYLLOMIK-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)o1 ZINC001334327225 994581165 /nfs/dbraw/zinc/58/11/65/994581165.db2.gz PJDOCVSYLLOMIK-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)o1 ZINC001334327225 994581174 /nfs/dbraw/zinc/58/11/74/994581174.db2.gz PJDOCVSYLLOMIK-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)o1 ZINC001334327225 994581183 /nfs/dbraw/zinc/58/11/83/994581183.db2.gz PJDOCVSYLLOMIK-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001334857180 994648835 /nfs/dbraw/zinc/64/88/35/994648835.db2.gz DASWXTFBPFJEAU-VWYCJHECSA-N 1 2 249.314 1.117 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C[C@H]1F ZINC001334983432 994662740 /nfs/dbraw/zinc/66/27/40/994662740.db2.gz XLUQOPJLSURRBV-VHSXEESVSA-N 1 2 238.310 1.727 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C[C@H]1F ZINC001334983432 994662747 /nfs/dbraw/zinc/66/27/47/994662747.db2.gz XLUQOPJLSURRBV-VHSXEESVSA-N 1 2 238.310 1.727 20 0 BDADLO CNc1cc(NC[C@](C)(O)c2ccco2)nc[nH+]1 ZINC001336708088 995082654 /nfs/dbraw/zinc/08/26/54/995082654.db2.gz WUFPEFQABHOTPT-LBPRGKRZSA-N 1 2 248.286 1.431 20 0 BDADLO CNc1cc(NC[C@](C)(O)c2ccco2)[nH+]cn1 ZINC001336708088 995082660 /nfs/dbraw/zinc/08/26/60/995082660.db2.gz WUFPEFQABHOTPT-LBPRGKRZSA-N 1 2 248.286 1.431 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ccnn2C)[nH+]1 ZINC001304108544 995190630 /nfs/dbraw/zinc/19/06/30/995190630.db2.gz VHHZIKQGYQLXGZ-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ccnn2C)c[nH+]1 ZINC001304108544 995190636 /nfs/dbraw/zinc/19/06/36/995190636.db2.gz VHHZIKQGYQLXGZ-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO COc1ccnc(NCc2ccc[nH+]c2N)n1 ZINC001307123593 995290874 /nfs/dbraw/zinc/29/08/74/995290874.db2.gz MJVWPBUADJDWCC-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC001307648208 995421460 /nfs/dbraw/zinc/42/14/60/995421460.db2.gz LHTXMHYYOQSTGK-POYBYMJQSA-N 1 2 230.262 1.761 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC001307648208 995421465 /nfs/dbraw/zinc/42/14/65/995421465.db2.gz LHTXMHYYOQSTGK-POYBYMJQSA-N 1 2 230.262 1.761 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC001307648210 995422659 /nfs/dbraw/zinc/42/26/59/995422659.db2.gz LHTXMHYYOQSTGK-XPUUQOCRSA-N 1 2 230.262 1.761 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](C(F)F)C2)[nH]1 ZINC001307648210 995422662 /nfs/dbraw/zinc/42/26/62/995422662.db2.gz LHTXMHYYOQSTGK-XPUUQOCRSA-N 1 2 230.262 1.761 20 0 BDADLO C[C@@H]1C(=O)CCCN1Cc1cccc(N(C)C)[nH+]1 ZINC001308130409 995554321 /nfs/dbraw/zinc/55/43/21/995554321.db2.gz POPNSIVYEVBNOJ-LLVKDONJSA-N 1 2 247.342 1.701 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cc1)c1nnnn1C ZINC001308133924 995560342 /nfs/dbraw/zinc/56/03/42/995560342.db2.gz DXZQGVYZPJRFKA-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO Cc1noc([C@H]([NH2+]CC2OCCO2)C(C)C)n1 ZINC001308178516 995589695 /nfs/dbraw/zinc/58/96/95/995589695.db2.gz UTFVLQXKOHRQRE-SNVBAGLBSA-N 1 2 241.291 1.038 20 0 BDADLO CCc1cc(NCC[C@@H](C)OC)nc[nH+]1 ZINC000309053627 349438007 /nfs/dbraw/zinc/43/80/07/349438007.db2.gz SJFNYBJCSXAYRI-SECBINFHSA-N 1 2 209.293 1.876 20 0 BDADLO Cc1nc(N(C)CC(C)(C)CO)cc[nH+]1 ZINC000296422479 398138569 /nfs/dbraw/zinc/13/85/69/398138569.db2.gz XPNJXMBSVYYWKS-UHFFFAOYSA-N 1 2 209.293 1.240 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCCSC)[nH+]1 ZINC000602102245 349441241 /nfs/dbraw/zinc/44/12/41/349441241.db2.gz MARKQOGIMRCDJU-UHFFFAOYSA-N 1 2 241.360 1.384 20 0 BDADLO C[C@@H](O)[C@@H](C)n1c2ccccc2[nH+]c1CCCO ZINC000268038179 538916130 /nfs/dbraw/zinc/91/61/30/538916130.db2.gz JFNGCJJYKKMGEO-GHMZBOCLSA-N 1 2 248.326 1.903 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161620717 349476833 /nfs/dbraw/zinc/47/68/33/349476833.db2.gz UKSKQZVZHNZSKG-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO CCC(CC)([NH2+]CCSC)C(=O)OC ZINC000336662044 168330615 /nfs/dbraw/zinc/33/06/15/168330615.db2.gz SMAYGAQCPDGMOX-UHFFFAOYSA-N 1 2 219.350 1.671 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)no1 ZINC000270871972 178002992 /nfs/dbraw/zinc/00/29/92/178002992.db2.gz JHUMDZQUMRCYDT-LBPRGKRZSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)no1 ZINC000270871972 178002994 /nfs/dbraw/zinc/00/29/94/178002994.db2.gz JHUMDZQUMRCYDT-LBPRGKRZSA-N 1 2 249.314 1.180 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)C(F)F ZINC000389937914 398151077 /nfs/dbraw/zinc/15/10/77/398151077.db2.gz KXJGABTXFZHCRM-SSDOTTSWSA-N 1 2 228.242 1.529 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncn1 ZINC000292178217 178008390 /nfs/dbraw/zinc/00/83/90/178008390.db2.gz MPRPVHDNAPQYSJ-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncn1 ZINC000292178217 178008393 /nfs/dbraw/zinc/00/83/93/178008393.db2.gz MPRPVHDNAPQYSJ-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(CNC[C@H](c2ccco2)[NH+](C)C)no1 ZINC000357013985 178025299 /nfs/dbraw/zinc/02/52/99/178025299.db2.gz WBYFQKZHQMSPPJ-GFCCVEGCSA-N 1 2 249.314 1.969 20 0 BDADLO Cc1cc(C[NH2+]Cc2cscn2)n(C)n1 ZINC000284083612 178028160 /nfs/dbraw/zinc/02/81/60/178028160.db2.gz VEFAGFYGLWMQHI-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000277498599 398173030 /nfs/dbraw/zinc/17/30/30/398173030.db2.gz RCCAEJKTDIZUAY-RQJHMYQMSA-N 1 2 244.726 1.531 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000277498599 398173035 /nfs/dbraw/zinc/17/30/35/398173035.db2.gz RCCAEJKTDIZUAY-RQJHMYQMSA-N 1 2 244.726 1.531 20 0 BDADLO Cc1nc(C)c(C)c(N2CCCCN2)[nH+]1 ZINC000649366625 398176482 /nfs/dbraw/zinc/17/64/82/398176482.db2.gz SKYGJZLLCOBCEC-UHFFFAOYSA-N 1 2 206.293 1.507 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649904643 398176841 /nfs/dbraw/zinc/17/68/41/398176841.db2.gz JZBNWXBUBMFOLS-SECBINFHSA-N 1 2 228.246 1.046 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649904643 398176842 /nfs/dbraw/zinc/17/68/42/398176842.db2.gz JZBNWXBUBMFOLS-SECBINFHSA-N 1 2 228.246 1.046 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000423174157 398164524 /nfs/dbraw/zinc/16/45/24/398164524.db2.gz BLZXWQMQMWIHKJ-WPRPVWTQSA-N 1 2 241.360 1.647 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1nccs1 ZINC000175076061 365527130 /nfs/dbraw/zinc/52/71/30/365527130.db2.gz OCLSFBRUMUXHRS-UHFFFAOYSA-N 1 2 242.344 1.918 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1nccs1 ZINC000175076061 365527133 /nfs/dbraw/zinc/52/71/33/365527133.db2.gz OCLSFBRUMUXHRS-UHFFFAOYSA-N 1 2 242.344 1.918 20 0 BDADLO Cc1cc(N2CCC[C@@H]2c2nncn2C)nc[nH+]1 ZINC000301949542 178114902 /nfs/dbraw/zinc/11/49/02/178114902.db2.gz IHVSOASZSBESQS-SNVBAGLBSA-N 1 2 244.302 1.255 20 0 BDADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCN(C)C1=O ZINC000116395304 178096417 /nfs/dbraw/zinc/09/64/17/178096417.db2.gz LSCRTQSZDLFGCC-ZDUSSCGKSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCNC1=O ZINC000269316988 178096533 /nfs/dbraw/zinc/09/65/33/178096533.db2.gz ZYHASEFMCHVXIL-LBPRGKRZSA-N 1 2 233.315 1.361 20 0 BDADLO Cc1c[nH]cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000334183780 398193243 /nfs/dbraw/zinc/19/32/43/398193243.db2.gz BKBRZQMJUXZZSW-UHFFFAOYSA-N 1 2 215.256 1.701 20 0 BDADLO Cc1cc(N(C)[C@H](CO)CC(C)C)nc[nH+]1 ZINC000302375033 178100443 /nfs/dbraw/zinc/10/04/43/178100443.db2.gz HDVDXLHLOVRZRO-NSHDSACASA-N 1 2 223.320 1.628 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1cc(CO)cc[nH+]1 ZINC000380379061 398194531 /nfs/dbraw/zinc/19/45/31/398194531.db2.gz MGIBQCYASXJXHJ-ZJUUUORDSA-N 1 2 222.288 1.188 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1C2CCC1CC2 ZINC000576243917 365535942 /nfs/dbraw/zinc/53/59/42/365535942.db2.gz SSZMPVAEGZBZOL-UHFFFAOYSA-N 1 2 248.330 1.739 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@H+](CC(F)F)C1 ZINC000645245983 398197258 /nfs/dbraw/zinc/19/72/58/398197258.db2.gz NQONDUOFLORGSX-NSHDSACASA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@@H+](CC(F)F)C1 ZINC000645245983 398197266 /nfs/dbraw/zinc/19/72/66/398197266.db2.gz NQONDUOFLORGSX-NSHDSACASA-N 1 2 221.291 1.982 20 0 BDADLO Cc1cc(N)nc(SCc2cc[nH]n2)[nH+]1 ZINC000308861112 178109024 /nfs/dbraw/zinc/10/90/24/178109024.db2.gz VHIMQIGPTKXOOY-UHFFFAOYSA-N 1 2 221.289 1.383 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC2(F)F)c1 ZINC000649377009 398185146 /nfs/dbraw/zinc/18/51/46/398185146.db2.gz RKXVLYBLYIFANZ-QMMMGPOBSA-N 1 2 241.241 1.741 20 0 BDADLO CCn1nccc1C[NH2+]Cc1ccon1 ZINC000162710611 538924572 /nfs/dbraw/zinc/92/45/72/538924572.db2.gz RYAVJVFZMVNZKJ-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO Cc1noc(CCC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000123997875 178128646 /nfs/dbraw/zinc/12/86/46/178128646.db2.gz JAFYOFNBKFGFGA-UHFFFAOYSA-N 1 2 246.270 1.653 20 0 BDADLO Cc1cc(NC(=O)CNC(=O)C(C)(C)C)cc[nH+]1 ZINC000073069267 178132702 /nfs/dbraw/zinc/13/27/02/178132702.db2.gz KDIOEGSKUVUJJC-UHFFFAOYSA-N 1 2 249.314 1.491 20 0 BDADLO Cc1c(CC(=O)Nc2cc[nH+]c(C)c2)cnn1C ZINC000293710548 178134733 /nfs/dbraw/zinc/13/47/33/178134733.db2.gz LXYLDRCWDWOIQX-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO Cc1cc(NC(=O)N2CCOC[C@@H]2C)cc[nH+]1 ZINC000119754687 178137048 /nfs/dbraw/zinc/13/70/48/178137048.db2.gz IPGPLGDTNKQOBG-JTQLQIEISA-N 1 2 235.287 1.643 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](CO)C2)cc[nH+]1 ZINC000271097995 178137423 /nfs/dbraw/zinc/13/74/23/178137423.db2.gz XGBDCIASOFFRDN-JTQLQIEISA-N 1 2 235.287 1.236 20 0 BDADLO CS[C@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000576291949 365554938 /nfs/dbraw/zinc/55/49/38/365554938.db2.gz XQZAEXZIJNEKJH-JTQLQIEISA-N 1 2 242.388 1.292 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC34CC4)ccn12 ZINC000576291772 365555150 /nfs/dbraw/zinc/55/51/50/365555150.db2.gz RUEOJROXBZCCMM-LLVKDONJSA-N 1 2 241.294 1.925 20 0 BDADLO CC(C)Oc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398338858 398200445 /nfs/dbraw/zinc/20/04/45/398200445.db2.gz LZEKSAAJOFRQEI-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO Cc1cc(NC(=O)NC2(CO)CCC2)cc[nH+]1 ZINC000179806960 178138391 /nfs/dbraw/zinc/13/83/91/178138391.db2.gz HQTYHIHUEZUCGM-UHFFFAOYSA-N 1 2 235.287 1.427 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)CF)cc[nH+]1 ZINC000287001837 178142168 /nfs/dbraw/zinc/14/21/68/178142168.db2.gz HBADSUJDDFZUIB-MRVPVSSYSA-N 1 2 211.240 1.870 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C[C@H](O)C2(C)C)cc[nH+]1 ZINC000189256549 178142802 /nfs/dbraw/zinc/14/28/02/178142802.db2.gz MXRDSAPRYZGJFD-QWRGUYRKSA-N 1 2 249.314 1.671 20 0 BDADLO CCO[C@@H]1CC[N@H+](CC(F)F)C[C@H]1C ZINC000649990012 398209894 /nfs/dbraw/zinc/20/98/94/398209894.db2.gz IQWNCNRDIZOLSI-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO CCO[C@@H]1CC[N@@H+](CC(F)F)C[C@H]1C ZINC000649990012 398209898 /nfs/dbraw/zinc/20/98/98/398209898.db2.gz IQWNCNRDIZOLSI-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(F)(F)F ZINC000584241126 398221062 /nfs/dbraw/zinc/22/10/62/398221062.db2.gz CMDMGQFLQXMYKP-BQBZGAKWSA-N 1 2 249.236 1.655 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(F)(F)F ZINC000584241126 398221065 /nfs/dbraw/zinc/22/10/65/398221065.db2.gz CMDMGQFLQXMYKP-BQBZGAKWSA-N 1 2 249.236 1.655 20 0 BDADLO Cc1cc(NCc2nncn2C)nc(C2CC2)[nH+]1 ZINC000265328816 178177053 /nfs/dbraw/zinc/17/70/53/178177053.db2.gz GCOQUDYRPFJALW-UHFFFAOYSA-N 1 2 244.302 1.403 20 0 BDADLO Cc1cc(N[C@@H](CO)CC(F)(F)F)nc[nH+]1 ZINC000336747309 178180742 /nfs/dbraw/zinc/18/07/42/178180742.db2.gz XGFDFAXXHDMMNS-SSDOTTSWSA-N 1 2 235.209 1.510 20 0 BDADLO Cc1cc(N[C@H]2CC[C@@H](CO)CC2)nc[nH+]1 ZINC000301611773 178182566 /nfs/dbraw/zinc/18/25/66/178182566.db2.gz DZTKUUPHZLQNMF-PHIMTYICSA-N 1 2 221.304 1.748 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000263953105 398223336 /nfs/dbraw/zinc/22/33/36/398223336.db2.gz YKJPKNCUVOEQJW-KOLCDFICSA-N 1 2 248.330 1.355 20 0 BDADLO Cc1cc(N[C@H](C)C(N)=O)nc(C(C)C)[nH+]1 ZINC000035149200 178184692 /nfs/dbraw/zinc/18/46/92/178184692.db2.gz DWEREPYMFPPIDU-MRVPVSSYSA-N 1 2 222.292 1.194 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc(C)[nH+]cn2)n[nH]1 ZINC000133534329 178185672 /nfs/dbraw/zinc/18/56/72/178185672.db2.gz HANFAKBDXQNFLH-SECBINFHSA-N 1 2 231.303 1.860 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc(C)[nH+]cn2)[nH]n1 ZINC000133534329 178185676 /nfs/dbraw/zinc/18/56/76/178185676.db2.gz HANFAKBDXQNFLH-SECBINFHSA-N 1 2 231.303 1.860 20 0 BDADLO Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc[nH+]1 ZINC000301481637 178187256 /nfs/dbraw/zinc/18/72/56/178187256.db2.gz SMNBJONNDJRHSG-JTQLQIEISA-N 1 2 248.330 1.596 20 0 BDADLO Cc1cc(N[C@H]2CCCCC[C@H]2C(N)=O)nc[nH+]1 ZINC000301970499 178189403 /nfs/dbraw/zinc/18/94/03/178189403.db2.gz RKRRCHDJRYDDIE-MNOVXSKESA-N 1 2 248.330 1.631 20 0 BDADLO Cc1cc(N[C@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000309874890 178189844 /nfs/dbraw/zinc/18/98/44/178189844.db2.gz SENFKOFUCDNNHA-JTQLQIEISA-N 1 2 219.288 1.863 20 0 BDADLO COc1ccnc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000276403783 538932144 /nfs/dbraw/zinc/93/21/44/538932144.db2.gz HTBGJPGASOXCSZ-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1ccnc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000276403783 538932146 /nfs/dbraw/zinc/93/21/46/538932146.db2.gz HTBGJPGASOXCSZ-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC(C1CC1)C1CC1 ZINC000276443078 538932227 /nfs/dbraw/zinc/93/22/27/538932227.db2.gz MIIQCPQFQKCQRQ-UHFFFAOYSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC(C1CC1)C1CC1 ZINC000276443078 538932229 /nfs/dbraw/zinc/93/22/29/538932229.db2.gz MIIQCPQFQKCQRQ-UHFFFAOYSA-N 1 2 233.315 1.647 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421404342 192330699 /nfs/dbraw/zinc/33/06/99/192330699.db2.gz PIAKFGSMRDTRFX-NSHDSACASA-N 1 2 241.722 1.438 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CC[C@@]12CCOC2 ZINC000421404342 192330702 /nfs/dbraw/zinc/33/07/02/192330702.db2.gz PIAKFGSMRDTRFX-NSHDSACASA-N 1 2 241.722 1.438 20 0 BDADLO CC[C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276608555 538933258 /nfs/dbraw/zinc/93/32/58/538933258.db2.gz PGWVCCJDNHKECQ-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO CC[C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276608555 538933259 /nfs/dbraw/zinc/93/32/59/538933259.db2.gz PGWVCCJDNHKECQ-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO Cc1cc([C@@H](C)NCC[NH+]2CCC2)nn1C ZINC000336749548 178224631 /nfs/dbraw/zinc/22/46/31/178224631.db2.gz UCZDPNLJOCTMJM-LLVKDONJSA-N 1 2 222.336 1.085 20 0 BDADLO CCn1cc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000276568846 538933282 /nfs/dbraw/zinc/93/32/82/538933282.db2.gz KBFDTSUWLPKEIL-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCn1cc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000276568846 538933283 /nfs/dbraw/zinc/93/32/83/538933283.db2.gz KBFDTSUWLPKEIL-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CO[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000280120277 538936189 /nfs/dbraw/zinc/93/61/89/538936189.db2.gz LTAILKQOSMKONA-NSHDSACASA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000280120277 538936190 /nfs/dbraw/zinc/93/61/90/538936190.db2.gz LTAILKQOSMKONA-NSHDSACASA-N 1 2 239.319 1.130 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000279802011 538936309 /nfs/dbraw/zinc/93/63/09/538936309.db2.gz HACVGCFGKOLFQI-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000279802011 538936310 /nfs/dbraw/zinc/93/63/10/538936310.db2.gz HACVGCFGKOLFQI-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cncc(F)c1 ZINC000334493946 136225997 /nfs/dbraw/zinc/22/59/97/136225997.db2.gz XDIQHSVRPBYVLX-UHFFFAOYSA-N 1 2 220.207 1.056 20 0 BDADLO C[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2)CC[NH+]1C ZINC000162017505 349524143 /nfs/dbraw/zinc/52/41/43/349524143.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 1 2 236.363 1.298 20 0 BDADLO C[C@H]1CC[C@@H](n2cc(C[N@H+](C)CCO)nn2)C1 ZINC000629941403 361786049 /nfs/dbraw/zinc/78/60/49/361786049.db2.gz JKKNEBYREIXIJX-CMPLNLGQSA-N 1 2 238.335 1.063 20 0 BDADLO C[C@H]1CC[C@@H](n2cc(C[N@@H+](C)CCO)nn2)C1 ZINC000629941403 361786053 /nfs/dbraw/zinc/78/60/53/361786053.db2.gz JKKNEBYREIXIJX-CMPLNLGQSA-N 1 2 238.335 1.063 20 0 BDADLO CCC[C@](C)(O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000279716498 538935913 /nfs/dbraw/zinc/93/59/13/538935913.db2.gz BACLETVLQDMYPX-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@](C)(O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000279716498 538935914 /nfs/dbraw/zinc/93/59/14/538935914.db2.gz BACLETVLQDMYPX-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nncn2C)c(C)o1 ZINC000038007711 178252106 /nfs/dbraw/zinc/25/21/06/178252106.db2.gz YUCBLOVCPLPNMT-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1nc(N(C)[C@H](CO)COC(C)C)cc[nH+]1 ZINC000432856464 398238989 /nfs/dbraw/zinc/23/89/89/398238989.db2.gz XBANLDLHKCKLBQ-LLVKDONJSA-N 1 2 239.319 1.007 20 0 BDADLO Cc1cc([C@H]2C[N@H+](CCO)CCO2)ccc1F ZINC000128920330 178269138 /nfs/dbraw/zinc/26/91/38/178269138.db2.gz BEHABBTVVORLBT-CYBMUJFWSA-N 1 2 239.290 1.500 20 0 BDADLO Cc1cc([C@H]2C[N@@H+](CCO)CCO2)ccc1F ZINC000128920330 178269141 /nfs/dbraw/zinc/26/91/41/178269141.db2.gz BEHABBTVVORLBT-CYBMUJFWSA-N 1 2 239.290 1.500 20 0 BDADLO Cc1cc(N2CC[S@](=O)CC[C@@H]2C)nc[nH+]1 ZINC000432860176 398239356 /nfs/dbraw/zinc/23/93/56/398239356.db2.gz QXCKLKZCZBBEGV-MGPLVRAMSA-N 1 2 239.344 1.132 20 0 BDADLO COCc1noc(C[N@H+](C)C2CCC2)n1 ZINC000182357596 398241716 /nfs/dbraw/zinc/24/17/16/398241716.db2.gz RXXDZUMEBXRUEE-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO COCc1noc(C[N@@H+](C)C2CCC2)n1 ZINC000182357596 398241718 /nfs/dbraw/zinc/24/17/18/398241718.db2.gz RXXDZUMEBXRUEE-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO CC(=O)c1nccn1Cc1[nH+]ccn1C(F)F ZINC000284965165 538940723 /nfs/dbraw/zinc/94/07/23/538940723.db2.gz AEESWXLOKUJCKY-UHFFFAOYSA-N 1 2 240.213 1.726 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ncc[nH]1 ZINC000285490146 538940936 /nfs/dbraw/zinc/94/09/36/538940936.db2.gz AGKJKSLDRSWNPU-WPRPVWTQSA-N 1 2 231.303 1.861 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421438088 192339172 /nfs/dbraw/zinc/33/91/72/192339172.db2.gz VKIWKSQOICRBKB-TUAOUCFPSA-N 1 2 247.342 1.815 20 0 BDADLO CO[C@H](CNc1cc(CO)cc[nH+]1)C(C)C ZINC000381239042 398240499 /nfs/dbraw/zinc/24/04/99/398240499.db2.gz UYFSRTCXPGQEBE-LLVKDONJSA-N 1 2 224.304 1.657 20 0 BDADLO COC1([C@H](C)[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000580540905 365637726 /nfs/dbraw/zinc/63/77/26/365637726.db2.gz GRRCNNLPWQQFJK-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO Cc1[nH]c(CNc2cc3n(n2)CCCC3)[nH+]c1C ZINC000576649810 365651179 /nfs/dbraw/zinc/65/11/79/365651179.db2.gz RWEQIYMHDPLHNA-UHFFFAOYSA-N 1 2 245.330 1.593 20 0 BDADLO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000649446666 398251112 /nfs/dbraw/zinc/25/11/12/398251112.db2.gz YHNKPEPKPBFOIY-RISCZKNCSA-N 1 2 245.326 1.664 20 0 BDADLO Cc1cnc(C)c(NCCc2cn(C)c[nH+]2)n1 ZINC000313448508 398251282 /nfs/dbraw/zinc/25/12/82/398251282.db2.gz VMFYVPLBFMXQQG-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO Cc1cc[nH]c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000280668915 178313360 /nfs/dbraw/zinc/31/33/60/178313360.db2.gz PQRNHTWZPYTISK-SNVBAGLBSA-N 1 2 246.314 1.586 20 0 BDADLO CCc1cc(NCC2CC(F)(F)C2)nc[nH+]1 ZINC000381340978 398253151 /nfs/dbraw/zinc/25/31/51/398253151.db2.gz XQBINNQQKRFYSM-UHFFFAOYSA-N 1 2 227.258 1.918 20 0 BDADLO CC[C@@H](C)[C@H](C[NH+]1CCS(=O)CC1)OC ZINC000602465903 349538711 /nfs/dbraw/zinc/53/87/11/349538711.db2.gz RXYDLOSBZLYFNI-MNOVXSKESA-N 1 2 233.377 1.112 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1cccnc1 ZINC000576646428 365649884 /nfs/dbraw/zinc/64/98/84/365649884.db2.gz AHHKFAFZAYRWAS-JTQLQIEISA-N 1 2 244.298 1.646 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1cccnc1 ZINC000576646428 365649887 /nfs/dbraw/zinc/64/98/87/365649887.db2.gz AHHKFAFZAYRWAS-JTQLQIEISA-N 1 2 244.298 1.646 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]cn2C)s1 ZINC000291393616 538947725 /nfs/dbraw/zinc/94/77/25/538947725.db2.gz IBTPQGWULLYWGO-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO Cc1cc(NC(=O)NCc2c[nH+]cn2C)no1 ZINC000290509937 538946990 /nfs/dbraw/zinc/94/69/90/538946990.db2.gz SORYRIJSSMGGNI-UHFFFAOYSA-N 1 2 235.247 1.038 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000290894022 538947000 /nfs/dbraw/zinc/94/70/00/538947000.db2.gz UHJFQIRHOKZTPY-NXEZZACHSA-N 1 2 238.335 1.654 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291190077 538947341 /nfs/dbraw/zinc/94/73/41/538947341.db2.gz CUNBSZHXPZNUKJ-GHMZBOCLSA-N 1 2 221.304 1.328 20 0 BDADLO CC(=O)NCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000576750618 365675899 /nfs/dbraw/zinc/67/58/99/365675899.db2.gz GQLIARXPJCGCQK-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Cc1cccs1 ZINC000291396748 538947461 /nfs/dbraw/zinc/94/74/61/538947461.db2.gz IGJLDRYOQHYLKW-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO CCc1ccnc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291529660 538947930 /nfs/dbraw/zinc/94/79/30/538947930.db2.gz VZRAIAZYTRTYNV-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CC[C@H](NC(=O)CCCn1cc[nH+]c1)C(F)F ZINC000650461715 398262364 /nfs/dbraw/zinc/26/23/64/398262364.db2.gz QHPKVLYWTLQADW-VIFPVBQESA-N 1 2 245.273 1.823 20 0 BDADLO Cc1ccc(=O)n(Cc2[nH+]ccn2C(F)F)n1 ZINC000177058132 178361956 /nfs/dbraw/zinc/36/19/56/178361956.db2.gz QPMCTDGBJINAIL-UHFFFAOYSA-N 1 2 240.213 1.192 20 0 BDADLO CCc1cc(N[C@H](CC)[C@@H](C)O)nc[nH+]1 ZINC000386668263 398265573 /nfs/dbraw/zinc/26/55/73/398265573.db2.gz FWPGHLHABVAEQT-PSASIEDQSA-N 1 2 209.293 1.610 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@@H]1CCOC1 ZINC000178348530 538953134 /nfs/dbraw/zinc/95/31/34/538953134.db2.gz JLXLIPGFEKKTLQ-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@@H]1CCOC1 ZINC000178348530 538953137 /nfs/dbraw/zinc/95/31/37/538953137.db2.gz JLXLIPGFEKKTLQ-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cncnc1 ZINC000179563635 538955507 /nfs/dbraw/zinc/95/55/07/538955507.db2.gz CKFOCJCPTMDWJT-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cncnc1 ZINC000179563635 538955508 /nfs/dbraw/zinc/95/55/08/538955508.db2.gz CKFOCJCPTMDWJT-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO CC(C)Cn1ncnc1COCc1[nH]cc[nH+]1 ZINC000180113421 538957684 /nfs/dbraw/zinc/95/76/84/538957684.db2.gz IHIVAGBVFKCPKF-UHFFFAOYSA-N 1 2 235.291 1.374 20 0 BDADLO CO[C@H](CCNc1cc(C)[nH+]cn1)C(F)(F)F ZINC000345041699 398272249 /nfs/dbraw/zinc/27/22/49/398272249.db2.gz WZCBYDSUWZPPRP-MRVPVSSYSA-N 1 2 249.236 1.586 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCOC)[C@H](C)CC ZINC000053257491 346845460 /nfs/dbraw/zinc/84/54/60/346845460.db2.gz XXTKDIGFLOXATQ-ZJUUUORDSA-N 1 2 217.309 1.200 20 0 BDADLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(F)F ZINC000378857861 346847669 /nfs/dbraw/zinc/84/76/69/346847669.db2.gz LYQATJTUMYTNIF-SCZZXKLOSA-N 1 2 218.291 1.714 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC)[C@H](C)CC ZINC000183587419 346852850 /nfs/dbraw/zinc/85/28/50/346852850.db2.gz ADZXQAJDFJXGOW-MXWKQRLJSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000180927694 538959185 /nfs/dbraw/zinc/95/91/85/538959185.db2.gz YGQUTFWOKMOWIS-WCBMZHEXSA-N 1 2 248.330 1.132 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnc(C)o1 ZINC000600154408 342692448 /nfs/dbraw/zinc/69/24/48/342692448.db2.gz LHVNZVTYUJWIHD-GFCCVEGCSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cnc(C)o1 ZINC000600154408 342692449 /nfs/dbraw/zinc/69/24/49/342692449.db2.gz LHVNZVTYUJWIHD-GFCCVEGCSA-N 1 2 238.287 1.511 20 0 BDADLO CCO[C@H](CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000600224062 342713834 /nfs/dbraw/zinc/71/38/34/342713834.db2.gz QMQBWWZZINGWIG-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CCc1cc(N[C@@H](C)Cc2cnn(C)c2)nc[nH+]1 ZINC000649479995 398277362 /nfs/dbraw/zinc/27/73/62/398277362.db2.gz MQBBQQBQBURMNG-JTQLQIEISA-N 1 2 245.330 1.816 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2ccno2)c1 ZINC000231885704 342741573 /nfs/dbraw/zinc/74/15/73/342741573.db2.gz LCUSKBPJTJOCJW-UHFFFAOYSA-N 1 2 236.227 1.344 20 0 BDADLO CCn1cncc1C[NH2+]Cc1ccno1 ZINC000231880778 342742579 /nfs/dbraw/zinc/74/25/79/342742579.db2.gz MYLSMHCUYMPOJW-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO OCC(F)(F)CNCc1c[nH+]c2ccccn12 ZINC000183873004 538968027 /nfs/dbraw/zinc/96/80/27/538968027.db2.gz ARACAWMYOLOFCY-UHFFFAOYSA-N 1 2 241.241 1.052 20 0 BDADLO O=c1c2c([nH]n1-c1ccc(F)cc1)CC[NH2+]C2 ZINC000634583408 342801633 /nfs/dbraw/zinc/80/16/33/342801633.db2.gz VEPPJYVSTXETRV-SNVBAGLBSA-N 1 2 233.246 1.138 20 0 BDADLO O=c1c2c([nH]n1-c1ccc(F)cc1)CC[NH2+]C2 ZINC000634583407 342801782 /nfs/dbraw/zinc/80/17/82/342801782.db2.gz VEPPJYVSTXETRV-JTQLQIEISA-N 1 2 233.246 1.138 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC(CO)C1 ZINC000084988430 398286864 /nfs/dbraw/zinc/28/68/64/398286864.db2.gz FZBIJPMJJSYJLG-UHFFFAOYSA-N 1 2 217.272 1.002 20 0 BDADLO CC[C@](C)(C[NH2+]Cc1cn[nH]c1C)OC ZINC000322951129 342802041 /nfs/dbraw/zinc/80/20/41/342802041.db2.gz RPNNKUSLFDTPHS-LLVKDONJSA-N 1 2 211.309 1.623 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](C)CO)o1 ZINC000678045074 488180278 /nfs/dbraw/zinc/18/02/78/488180278.db2.gz KRDIOGYHTGBRPO-CMPLNLGQSA-N 1 2 239.315 1.590 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](C)CO)o1 ZINC000678045074 488180282 /nfs/dbraw/zinc/18/02/82/488180282.db2.gz KRDIOGYHTGBRPO-CMPLNLGQSA-N 1 2 239.315 1.590 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000607743110 342786893 /nfs/dbraw/zinc/78/68/93/342786893.db2.gz VPMPIASWPCNQFH-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H]1C[N@H+]([C@@H](C)c2ccncc2)CCO1 ZINC000607743110 342786894 /nfs/dbraw/zinc/78/68/94/342786894.db2.gz VPMPIASWPCNQFH-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO CCO[C@H](CC(=O)NCc1[nH]cc[nH+]1)C(C)C ZINC000348766870 136238090 /nfs/dbraw/zinc/23/80/90/136238090.db2.gz XQGVLLDLRUPDCV-SNVBAGLBSA-N 1 2 239.319 1.477 20 0 BDADLO C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CC1(F)F ZINC000618594702 342792397 /nfs/dbraw/zinc/79/23/97/342792397.db2.gz ICQXJDBFGJHERR-JTQLQIEISA-N 1 2 243.257 1.504 20 0 BDADLO C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CC1(F)F ZINC000618594702 342792398 /nfs/dbraw/zinc/79/23/98/342792398.db2.gz ICQXJDBFGJHERR-JTQLQIEISA-N 1 2 243.257 1.504 20 0 BDADLO O=C1NCC[C@H]1[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000634581056 342796369 /nfs/dbraw/zinc/79/63/69/342796369.db2.gz PFSDJFOWRWRHDW-MNOVXSKESA-N 1 2 240.253 1.314 20 0 BDADLO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580631 342796379 /nfs/dbraw/zinc/79/63/79/342796379.db2.gz IGQDHXRRELHHAD-XCBNKYQSSA-N 1 2 228.242 1.300 20 0 BDADLO Cc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)nc[nH+]1 ZINC000624669189 342815395 /nfs/dbraw/zinc/81/53/95/342815395.db2.gz BIKUVUQIYWUWPB-WCQYABFASA-N 1 2 233.315 1.384 20 0 BDADLO CCc1nc(N2CCC[C@H]2C(=O)NC)cc(C)[nH+]1 ZINC000286231019 342816479 /nfs/dbraw/zinc/81/64/79/342816479.db2.gz HOOQOGJIXKEOGK-JTQLQIEISA-N 1 2 248.330 1.062 20 0 BDADLO CCC(CC)SCC(=O)N1CC[NH+](C)CC1 ZINC000340679840 168395101 /nfs/dbraw/zinc/39/51/01/168395101.db2.gz XFXLZFJXCNOVBC-UHFFFAOYSA-N 1 2 244.404 1.682 20 0 BDADLO Fc1cnccc1CNCC[N@H+]1CC=CCC1 ZINC000449303975 398288376 /nfs/dbraw/zinc/28/83/76/398288376.db2.gz YHJKARPSNPZSAS-UHFFFAOYSA-N 1 2 235.306 1.572 20 0 BDADLO Fc1cnccc1CNCC[N@@H+]1CC=CCC1 ZINC000449303975 398288377 /nfs/dbraw/zinc/28/83/77/398288377.db2.gz YHJKARPSNPZSAS-UHFFFAOYSA-N 1 2 235.306 1.572 20 0 BDADLO Cn1cc[nH+]c1-c1cnc2c(c1)NCCO2 ZINC000630052478 361921105 /nfs/dbraw/zinc/92/11/05/361921105.db2.gz JZHJJYWFCVILOP-UHFFFAOYSA-N 1 2 216.244 1.286 20 0 BDADLO Cc1nscc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583985601 342822268 /nfs/dbraw/zinc/82/22/68/342822268.db2.gz GUNYEHDFJWAHJD-SSDOTTSWSA-N 1 2 236.300 1.666 20 0 BDADLO CCC(CC)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268169987 168395235 /nfs/dbraw/zinc/39/52/35/168395235.db2.gz IWSICHUPGJZXNT-UHFFFAOYSA-N 1 2 230.333 1.524 20 0 BDADLO COCCNc1cncc(-c2[nH+]ccn2C)c1 ZINC000630053536 361923315 /nfs/dbraw/zinc/92/33/15/361923315.db2.gz VIXNBTWDKZPTLO-UHFFFAOYSA-N 1 2 232.287 1.540 20 0 BDADLO CCNc1ccc(-c2[nH+]ccn2C)cn1 ZINC000630053636 361923570 /nfs/dbraw/zinc/92/35/70/361923570.db2.gz XHESFKUXXCOJOS-UHFFFAOYSA-N 1 2 202.261 1.336 20 0 BDADLO NC(=O)C1([NH2+]Cc2cscc2Cl)CC1 ZINC000379623416 538979552 /nfs/dbraw/zinc/97/95/52/538979552.db2.gz HVMLCNUJZCHXGK-UHFFFAOYSA-N 1 2 230.720 1.509 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000624755019 342825137 /nfs/dbraw/zinc/82/51/37/342825137.db2.gz NQBNLBAVCGOHCA-AOOOYVTPSA-N 1 2 207.277 1.044 20 0 BDADLO Cc1cc(N[C@@H]2CCN(C3CCC3)C2=O)nc[nH+]1 ZINC000624780901 342828451 /nfs/dbraw/zinc/82/84/51/342828451.db2.gz DZJHPDJIYKXVEE-LLVKDONJSA-N 1 2 246.314 1.350 20 0 BDADLO Cn1cc[nH+]c1-c1cnc2c(c1)CCCO2 ZINC000630053800 361924820 /nfs/dbraw/zinc/92/48/20/361924820.db2.gz ZOSNRZUHGKGBSM-UHFFFAOYSA-N 1 2 215.256 1.807 20 0 BDADLO CC[C@]1([NH2+]Cc2noc(C)n2)CCOC1 ZINC000380303989 538988722 /nfs/dbraw/zinc/98/87/22/538988722.db2.gz FGMDRVFAWWPYBC-JTQLQIEISA-N 1 2 211.265 1.037 20 0 BDADLO Cc1cccc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000188875878 538979657 /nfs/dbraw/zinc/97/96/57/538979657.db2.gz JCJZCYNGRSCRNS-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1cccc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000188875878 538979659 /nfs/dbraw/zinc/97/96/59/538979659.db2.gz JCJZCYNGRSCRNS-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CN(C)c1nc(C[NH2+]CC2(F)CC2)cs1 ZINC000379966569 538982705 /nfs/dbraw/zinc/98/27/05/538982705.db2.gz ZELNONXJWXEWDJ-UHFFFAOYSA-N 1 2 229.324 1.801 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000193339157 539004495 /nfs/dbraw/zinc/00/44/95/539004495.db2.gz VRXCQUVCXRRTGI-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000193339157 539004496 /nfs/dbraw/zinc/00/44/96/539004496.db2.gz VRXCQUVCXRRTGI-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CO1 ZINC000401435604 259322717 /nfs/dbraw/zinc/32/27/17/259322717.db2.gz YQBUNPJYUVVHPO-PHDIDXHHSA-N 1 2 228.683 1.302 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)CO1 ZINC000401435604 259322719 /nfs/dbraw/zinc/32/27/19/259322719.db2.gz YQBUNPJYUVVHPO-PHDIDXHHSA-N 1 2 228.683 1.302 20 0 BDADLO c1cc2[nH+]ccc(N3CC4(C3)CCCO4)c2cn1 ZINC000624543319 344005369 /nfs/dbraw/zinc/00/53/69/344005369.db2.gz XLMOKRDZVCNVTF-UHFFFAOYSA-N 1 2 241.294 1.999 20 0 BDADLO CC[C@H](C[NH+]1CCCC1)Nc1nc(C)ns1 ZINC000381398030 538999990 /nfs/dbraw/zinc/99/99/90/538999990.db2.gz QDUZYATUVANPIP-SNVBAGLBSA-N 1 2 240.376 1.555 20 0 BDADLO CCn1cc(CNc2ccc(OC)c[nH+]2)cn1 ZINC000390090814 539019800 /nfs/dbraw/zinc/01/98/00/539019800.db2.gz DYZGZGNAFQOUCH-UHFFFAOYSA-N 1 2 232.287 1.341 20 0 BDADLO COC[C@H](Nc1ccc(OC)c[nH+]1)C1CC1 ZINC000390505904 539022536 /nfs/dbraw/zinc/02/25/36/539022536.db2.gz WZWXCLUHBAQBMY-NSHDSACASA-N 1 2 222.288 1.927 20 0 BDADLO CCc1cc(N[C@@H](C)[C@H](C)OC)nc[nH+]1 ZINC000389947631 539019073 /nfs/dbraw/zinc/01/90/73/539019073.db2.gz RDZBLOZUSDVRMC-IUCAKERBSA-N 1 2 209.293 1.874 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC(C)(C)C ZINC000625057620 342846988 /nfs/dbraw/zinc/84/69/88/342846988.db2.gz QFAHOTOAZVMIHE-MNOVXSKESA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC(C)(C)C ZINC000625057620 342846989 /nfs/dbraw/zinc/84/69/89/342846989.db2.gz QFAHOTOAZVMIHE-MNOVXSKESA-N 1 2 242.363 1.258 20 0 BDADLO C[C@H](O)C1CC[NH+](Cc2ncccn2)CC1 ZINC000192019846 398310072 /nfs/dbraw/zinc/31/00/72/398310072.db2.gz OYSMBWRYJAMEMK-JTQLQIEISA-N 1 2 221.304 1.069 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(F)C1 ZINC000584003610 342899903 /nfs/dbraw/zinc/89/99/03/342899903.db2.gz KGOYUTBARNDTOW-QMMMGPOBSA-N 1 2 243.257 1.456 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(F)C1 ZINC000584003610 342899905 /nfs/dbraw/zinc/89/99/05/342899905.db2.gz KGOYUTBARNDTOW-QMMMGPOBSA-N 1 2 243.257 1.456 20 0 BDADLO FC(F)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000076177237 342896054 /nfs/dbraw/zinc/89/60/54/342896054.db2.gz WVUWHMJBBYVXMN-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO FC(F)C[N@H+]1CCC2(C1)CCOCC2 ZINC000076177237 342896055 /nfs/dbraw/zinc/89/60/55/342896055.db2.gz WVUWHMJBBYVXMN-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)no1)C(C)(C)CO ZINC000134840168 342897875 /nfs/dbraw/zinc/89/78/75/342897875.db2.gz CNBAFYLMMIKRLW-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)C(C)(C)CO ZINC000134840168 342897877 /nfs/dbraw/zinc/89/78/77/342897877.db2.gz CNBAFYLMMIKRLW-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CC(C)(C(=O)N1CCC[C@@H]1CF)c1c[nH+]c[nH]1 ZINC000336475848 398319626 /nfs/dbraw/zinc/31/96/26/398319626.db2.gz YCVUYVIKJHZYNS-SECBINFHSA-N 1 2 239.294 1.648 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625139860 342889515 /nfs/dbraw/zinc/88/95/15/342889515.db2.gz XTWAZIMFJUWXGU-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625139860 342889516 /nfs/dbraw/zinc/88/95/16/342889516.db2.gz XTWAZIMFJUWXGU-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO COC1(C)CN(Cc2c[nH+]c3cc(C)ccn23)C1 ZINC000336085069 398315078 /nfs/dbraw/zinc/31/50/78/398315078.db2.gz PNSSUQSSCJBIFN-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1noc(C)n1 ZINC000351480906 136245918 /nfs/dbraw/zinc/24/59/18/136245918.db2.gz WGWGUSSWRZGYOO-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1noc(C)n1 ZINC000351480906 136245919 /nfs/dbraw/zinc/24/59/19/136245919.db2.gz WGWGUSSWRZGYOO-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO C[N@H+](CC(=O)NC1CCCC1)Cc1ccco1 ZINC000016381098 342910043 /nfs/dbraw/zinc/91/00/43/342910043.db2.gz PCISQGIHLWRVBZ-UHFFFAOYSA-N 1 2 236.315 1.770 20 0 BDADLO C[N@@H+](CC(=O)NC1CCCC1)Cc1ccco1 ZINC000016381098 342910044 /nfs/dbraw/zinc/91/00/44/342910044.db2.gz PCISQGIHLWRVBZ-UHFFFAOYSA-N 1 2 236.315 1.770 20 0 BDADLO CC[C@@H]1CC[N@H+](Cc2noc(CCOC)n2)C1 ZINC000351519709 136246723 /nfs/dbraw/zinc/24/67/23/136246723.db2.gz FYXNRUBHXXLPNJ-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cc2noc(CCOC)n2)C1 ZINC000351519709 136246724 /nfs/dbraw/zinc/24/67/24/136246724.db2.gz FYXNRUBHXXLPNJ-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CC[C@@]1(C)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136303 342927489 /nfs/dbraw/zinc/92/74/89/342927489.db2.gz SVTBVHVOOUEEIS-LBPRGKRZSA-N 1 2 235.335 1.609 20 0 BDADLO CC[C@@]1(C)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136303 342927491 /nfs/dbraw/zinc/92/74/91/342927491.db2.gz SVTBVHVOOUEEIS-LBPRGKRZSA-N 1 2 235.335 1.609 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@@]2(C)CO)no1 ZINC000351626647 136248447 /nfs/dbraw/zinc/24/84/47/136248447.db2.gz GUUREEHNESJDEE-PEXQALLHSA-N 1 2 239.319 1.580 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336263874 398326431 /nfs/dbraw/zinc/32/64/31/398326431.db2.gz GCLWPBIWENJNHK-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336263874 398326433 /nfs/dbraw/zinc/32/64/33/398326433.db2.gz GCLWPBIWENJNHK-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000495857453 529437321 /nfs/dbraw/zinc/43/73/21/529437321.db2.gz IAESZKGIIOCPMH-UWVGGRQHSA-N 1 2 230.283 1.261 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000495857453 529437324 /nfs/dbraw/zinc/43/73/24/529437324.db2.gz IAESZKGIIOCPMH-UWVGGRQHSA-N 1 2 230.283 1.261 20 0 BDADLO CCc1c(C(C)C)[nH]n(CC[NH+](C)C)c1=O ZINC000634590072 342936910 /nfs/dbraw/zinc/93/69/10/342936910.db2.gz PNNMLIYLOLYIDD-JTQLQIEISA-N 1 2 225.336 1.428 20 0 BDADLO CCc1[nH]nc(NC(=O)C=Cc2[nH]cc[nH+]2)c1C ZINC000493626911 529469503 /nfs/dbraw/zinc/46/95/03/529469503.db2.gz VUTYFWWETVJRLS-SNAWJCMRSA-N 1 2 245.286 1.656 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000602682876 349675346 /nfs/dbraw/zinc/67/53/46/349675346.db2.gz TUXUCQFLOQITGE-WDEREUQCSA-N 1 2 243.347 1.874 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000602682875 349675419 /nfs/dbraw/zinc/67/54/19/349675419.db2.gz TUXUCQFLOQITGE-QWRGUYRKSA-N 1 2 243.347 1.874 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1(C(C)C)CC1 ZINC000234786059 342942498 /nfs/dbraw/zinc/94/24/98/342942498.db2.gz USOCAVUNLXNAIY-UHFFFAOYSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1(C(C)C)CC1 ZINC000234786059 342942500 /nfs/dbraw/zinc/94/25/00/342942500.db2.gz USOCAVUNLXNAIY-UHFFFAOYSA-N 1 2 236.319 1.916 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)nn2)cs1 ZINC000381285738 398339943 /nfs/dbraw/zinc/33/99/43/398339943.db2.gz MKYOXWPOUUNDAY-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679106 349671656 /nfs/dbraw/zinc/67/16/56/349671656.db2.gz BITMERYSENEREN-QWRGUYRKSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679714 349672680 /nfs/dbraw/zinc/67/26/80/349672680.db2.gz ILFATQURXIMVDR-SDDRHHMPSA-N 1 2 245.363 1.977 20 0 BDADLO C[C@@H]1CC[C@H]2C(=O)N(CC[NH+]3CCCCC3)N=C12 ZINC000634592196 342946065 /nfs/dbraw/zinc/94/60/65/342946065.db2.gz BAADRGLDWIJMRM-VXGBXAGGSA-N 1 2 249.358 1.717 20 0 BDADLO C[C@@H]1CCc2c(=O)n(CC[NH+]3CCCCC3)[nH]c21 ZINC000634592196 342946067 /nfs/dbraw/zinc/94/60/67/342946067.db2.gz BAADRGLDWIJMRM-VXGBXAGGSA-N 1 2 249.358 1.717 20 0 BDADLO O=c1c2c([nH]n1CC[NH+]1CCCCC1)CCC2 ZINC000634592235 342946089 /nfs/dbraw/zinc/94/60/89/342946089.db2.gz CLCCMBJSJMPPLF-NSHDSACASA-N 1 2 235.331 1.471 20 0 BDADLO CCc1[nH]n(CC[NH+]2CCCCC2)c(=O)c1C ZINC000634592565 342946339 /nfs/dbraw/zinc/94/63/39/342946339.db2.gz NQGBIHZZRHGWTC-LLVKDONJSA-N 1 2 237.347 1.717 20 0 BDADLO CCC1=NN(CC[NH+]2CCCCC2)C(=O)[C@@H]1C ZINC000634592565 342946340 /nfs/dbraw/zinc/94/63/40/342946340.db2.gz NQGBIHZZRHGWTC-LLVKDONJSA-N 1 2 237.347 1.717 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCC[C@@H]1CCO1 ZINC000602718212 349686807 /nfs/dbraw/zinc/68/68/07/349686807.db2.gz QWPOOOYHRVCFSP-PWSUYJOCSA-N 1 2 247.310 1.436 20 0 BDADLO O=c1c2c([nH]n1C1CCCCC1)CC[NH2+]C2 ZINC000634593824 342952738 /nfs/dbraw/zinc/95/27/38/342952738.db2.gz BACFAKJDBODEHC-JTQLQIEISA-N 1 2 221.304 1.127 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]C[C@H](OC)C1CC1 ZINC000602692558 349689919 /nfs/dbraw/zinc/68/99/19/349689919.db2.gz AVWHVDKJCLAOTR-RYUDHWBXSA-N 1 2 241.331 1.343 20 0 BDADLO C[C@@H]1C[NH+]([C@@H]2CCCOC2)C[C@@H](C)S1=O ZINC000616823267 346904962 /nfs/dbraw/zinc/90/49/62/346904962.db2.gz ISVBJPCXZAATKQ-GMTAPVOTSA-N 1 2 231.361 1.007 20 0 BDADLO CCc1cc(CNC(=O)/C=C/c2[nH]cc[nH+]2)on1 ZINC000493205871 529527506 /nfs/dbraw/zinc/52/75/06/529527506.db2.gz LSFDKTBEDBHZHC-ONEGZZNKSA-N 1 2 246.270 1.290 20 0 BDADLO CC[C@@]1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493547745 529528242 /nfs/dbraw/zinc/52/82/42/529528242.db2.gz FNYGDSSHHCXHPY-IHVVCDCBSA-N 1 2 249.314 1.450 20 0 BDADLO COC1CC([N@H+](C)Cc2ncccn2)C1 ZINC000352202593 536719746 /nfs/dbraw/zinc/71/97/46/536719746.db2.gz KTCGIPXGRYPZMQ-UHFFFAOYSA-N 1 2 207.277 1.086 20 0 BDADLO COC1CC([N@@H+](C)Cc2ncccn2)C1 ZINC000352202593 536719755 /nfs/dbraw/zinc/71/97/55/536719755.db2.gz KTCGIPXGRYPZMQ-UHFFFAOYSA-N 1 2 207.277 1.086 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCCF ZINC000493831036 529554004 /nfs/dbraw/zinc/55/40/04/529554004.db2.gz ZFGRNKIEAFAOPI-ONEGZZNKSA-N 1 2 211.240 1.002 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC=C(C)C ZINC000493856265 529554075 /nfs/dbraw/zinc/55/40/75/529554075.db2.gz OLXFYNJQLDIGSG-AATRIKPKSA-N 1 2 233.315 1.999 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335558010 534929877 /nfs/dbraw/zinc/92/98/77/534929877.db2.gz IRBWEAZMXCEILJ-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)OC ZINC000602796620 349737799 /nfs/dbraw/zinc/73/77/99/349737799.db2.gz DMWPOTYLTQWCOH-GWCFXTLKSA-N 1 2 243.347 1.733 20 0 BDADLO O=c1c2c([nH]n1C1CCCCCC1)CC[NH2+]C2 ZINC000634602797 342998154 /nfs/dbraw/zinc/99/81/54/342998154.db2.gz DRZNJBBRKMLMLJ-NSHDSACASA-N 1 2 235.331 1.517 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2cnccn2)CCO1 ZINC000518335998 259339411 /nfs/dbraw/zinc/33/94/11/259339411.db2.gz FRKQCIPSPWWRBI-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2cnccn2)CCO1 ZINC000518335998 259339412 /nfs/dbraw/zinc/33/94/12/259339412.db2.gz FRKQCIPSPWWRBI-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000037956971 343018783 /nfs/dbraw/zinc/01/87/83/343018783.db2.gz PDBNMEZVCHWBQW-JQWIXIFHSA-N 1 2 229.320 1.487 20 0 BDADLO CC[C@H](C)CN(C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493729787 529647882 /nfs/dbraw/zinc/64/78/82/529647882.db2.gz UZIPQQJUNRNNCJ-OMMCCPJFSA-N 1 2 221.304 1.927 20 0 BDADLO CC[C@H](C)CN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493729788 529648006 /nfs/dbraw/zinc/64/80/06/529648006.db2.gz UZIPQQJUNRNNCJ-PORFMDCZSA-N 1 2 221.304 1.927 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@@H]2CCSC2)no1 ZINC000162669778 349791811 /nfs/dbraw/zinc/79/18/11/349791811.db2.gz LGLZVRYZDGYYDJ-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@@H]2CCSC2)no1 ZINC000162669778 349791814 /nfs/dbraw/zinc/79/18/14/349791814.db2.gz LGLZVRYZDGYYDJ-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023802464 343067498 /nfs/dbraw/zinc/06/74/98/343067498.db2.gz RPVFJWINWFDEKH-UHFFFAOYSA-N 1 2 211.290 1.089 20 0 BDADLO CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023802464 343067500 /nfs/dbraw/zinc/06/75/00/343067500.db2.gz RPVFJWINWFDEKH-UHFFFAOYSA-N 1 2 211.290 1.089 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000038363919 343094788 /nfs/dbraw/zinc/09/47/88/343094788.db2.gz MQKXHZOIAOLDQK-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000038363919 343094790 /nfs/dbraw/zinc/09/47/90/343094790.db2.gz MQKXHZOIAOLDQK-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO CC(C)/C=C\c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640953821 362096303 /nfs/dbraw/zinc/09/63/03/362096303.db2.gz RCWBALSQEUBCSV-PLNGDYQASA-N 1 2 231.303 1.729 20 0 BDADLO Cc1[nH+]cccc1N[C@@H]1CCCNC(=O)C1 ZINC000085726928 488202363 /nfs/dbraw/zinc/20/23/63/488202363.db2.gz UHJPGTNUEMAYKZ-SNVBAGLBSA-N 1 2 219.288 1.471 20 0 BDADLO CC[C@@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000640939172 362076895 /nfs/dbraw/zinc/07/68/95/362076895.db2.gz OWHRKLSSXHKQNF-SNVBAGLBSA-N 1 2 240.376 1.798 20 0 BDADLO CC[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000640937854 362080825 /nfs/dbraw/zinc/08/08/25/362080825.db2.gz CIMXVQNZFJEBOV-SECBINFHSA-N 1 2 205.265 1.494 20 0 BDADLO CC(C)=CCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640944301 362090772 /nfs/dbraw/zinc/09/07/72/362090772.db2.gz CUDNYFYGHOOFRR-LBPRGKRZSA-N 1 2 236.319 1.295 20 0 BDADLO C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H](C(=O)[O-])C1 ZINC000129532525 343177716 /nfs/dbraw/zinc/17/77/16/343177716.db2.gz ZRUMYYUVBPKVTJ-MNOVXSKESA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H](C(=O)[O-])C1 ZINC000129532525 343177718 /nfs/dbraw/zinc/17/77/18/343177718.db2.gz ZRUMYYUVBPKVTJ-MNOVXSKESA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625271948 343184611 /nfs/dbraw/zinc/18/46/11/343184611.db2.gz ASXSQSVRSHCMTN-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625271948 343184613 /nfs/dbraw/zinc/18/46/13/343184613.db2.gz ASXSQSVRSHCMTN-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1CCCC1=O)n1cc[nH+]c1 ZINC000576949708 365729828 /nfs/dbraw/zinc/72/98/28/365729828.db2.gz KXEFDAGESZYXGR-MNOVXSKESA-N 1 2 249.314 1.320 20 0 BDADLO CCOCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000576956030 365732368 /nfs/dbraw/zinc/73/23/68/365732368.db2.gz VDZFPAYUDNVFEJ-JTQLQIEISA-N 1 2 239.319 1.083 20 0 BDADLO CCOCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000576956030 365732371 /nfs/dbraw/zinc/73/23/71/365732371.db2.gz VDZFPAYUDNVFEJ-JTQLQIEISA-N 1 2 239.319 1.083 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H](C)OC ZINC000379918455 365734171 /nfs/dbraw/zinc/73/41/71/365734171.db2.gz FMXAIGXVHUYBQT-SECBINFHSA-N 1 2 210.277 1.927 20 0 BDADLO Cc1ncsc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125362412 343173110 /nfs/dbraw/zinc/17/31/10/343173110.db2.gz ZZSRAUJGTUDRFK-SSDOTTSWSA-N 1 2 236.300 1.666 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C(F)F ZINC000641012544 362127061 /nfs/dbraw/zinc/12/70/61/362127061.db2.gz OFTZDAROEQOHBC-SSDOTTSWSA-N 1 2 246.261 1.215 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc(C3CCC3)n2)C[C@H]1O ZINC000625280604 343218969 /nfs/dbraw/zinc/21/89/69/343218969.db2.gz CSVQMWPJXFVXHI-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc(C3CCC3)n2)C[C@H]1O ZINC000625280604 343218970 /nfs/dbraw/zinc/21/89/70/343218970.db2.gz CSVQMWPJXFVXHI-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCSCC1 ZINC000082776930 136277024 /nfs/dbraw/zinc/27/70/24/136277024.db2.gz YEQINPCMBIVLGI-VIFPVBQESA-N 1 2 231.361 1.765 20 0 BDADLO Cc1cc(CSc2nc(N)cc(C)[nH+]2)n(C)n1 ZINC000134425181 343194290 /nfs/dbraw/zinc/19/42/90/343194290.db2.gz YFAOTVMXSXLTHR-UHFFFAOYSA-N 1 2 249.343 1.701 20 0 BDADLO c1c[nH+]c(CNCc2cn3ccsc3n2)[nH]1 ZINC000067667201 343234757 /nfs/dbraw/zinc/23/47/57/343234757.db2.gz WXGBRBFBURUIQL-UHFFFAOYSA-N 1 2 233.300 1.409 20 0 BDADLO CCO[C@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000625356161 343247667 /nfs/dbraw/zinc/24/76/67/343247667.db2.gz QKMCZODUBAMCPE-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000625356161 343247669 /nfs/dbraw/zinc/24/76/69/343247669.db2.gz QKMCZODUBAMCPE-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000625367325 343260413 /nfs/dbraw/zinc/26/04/13/343260413.db2.gz XUCBBFZQLSVHAA-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000625367325 343260415 /nfs/dbraw/zinc/26/04/15/343260415.db2.gz XUCBBFZQLSVHAA-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CCC(CC)CC(=O)NCCc1c[nH+]cn1C ZINC000121313154 343264927 /nfs/dbraw/zinc/26/49/27/343264927.db2.gz OUBABPFWQDSYDV-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000121271870 343265068 /nfs/dbraw/zinc/26/50/68/343265068.db2.gz IOCUYLXVRDPNIG-WDEREUQCSA-N 1 2 237.347 1.761 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000348755111 136297441 /nfs/dbraw/zinc/29/74/41/136297441.db2.gz GCLPCIPDXTZHGO-GFCCVEGCSA-N 1 2 222.336 1.005 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000348755111 136297442 /nfs/dbraw/zinc/29/74/42/136297442.db2.gz GCLPCIPDXTZHGO-GFCCVEGCSA-N 1 2 222.336 1.005 20 0 BDADLO C[N@H+](Cc1ncnn1CC(F)F)[C@H]1CC1(C)C ZINC000489500739 259357513 /nfs/dbraw/zinc/35/75/13/259357513.db2.gz OJHJEGYMWJAWKO-QMMMGPOBSA-N 1 2 244.289 1.774 20 0 BDADLO C[N@@H+](Cc1ncnn1CC(F)F)[C@H]1CC1(C)C ZINC000489500739 259357516 /nfs/dbraw/zinc/35/75/16/259357516.db2.gz OJHJEGYMWJAWKO-QMMMGPOBSA-N 1 2 244.289 1.774 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nncn2C)CCS1 ZINC000335285742 136293017 /nfs/dbraw/zinc/29/30/17/136293017.db2.gz ZNDVCVJNBNKUMQ-NXEZZACHSA-N 1 2 240.376 1.704 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2nncn2C)CCS1 ZINC000335285742 136293018 /nfs/dbraw/zinc/29/30/18/136293018.db2.gz ZNDVCVJNBNKUMQ-NXEZZACHSA-N 1 2 240.376 1.704 20 0 BDADLO CC[C@@H](OC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000584058663 343309724 /nfs/dbraw/zinc/30/97/24/343309724.db2.gz HXVLHKSEKYYVCJ-MRVPVSSYSA-N 1 2 225.292 1.186 20 0 BDADLO CCOc1ccccc1C[NH2+]Cc1nncn1C ZINC000037989000 343364594 /nfs/dbraw/zinc/36/45/94/343364594.db2.gz NCUMTPYLAKGIPC-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO O=C(Cc1ccsc1)NCc1[nH]cc[nH+]1 ZINC000070651614 343337987 /nfs/dbraw/zinc/33/79/87/343337987.db2.gz OCRHGUKAFYVFCD-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000037303183 343343017 /nfs/dbraw/zinc/34/30/17/343343017.db2.gz NLOCKDYGNMGQHI-GWCFXTLKSA-N 1 2 233.311 1.695 20 0 BDADLO CC/C=C/CCn1cc(C[N@H+](C)CCO)nn1 ZINC000641065273 362171375 /nfs/dbraw/zinc/17/13/75/362171375.db2.gz AWVRSQXQLUVZDU-SNAWJCMRSA-N 1 2 238.335 1.059 20 0 BDADLO CC/C=C/CCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641065273 362171380 /nfs/dbraw/zinc/17/13/80/362171380.db2.gz AWVRSQXQLUVZDU-SNAWJCMRSA-N 1 2 238.335 1.059 20 0 BDADLO FC1(F)CCC12C[NH+](Cc1cncnc1)C2 ZINC000335677359 136319188 /nfs/dbraw/zinc/31/91/88/136319188.db2.gz LNROKTGEOYZTCL-UHFFFAOYSA-N 1 2 225.242 1.708 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000335693311 136325852 /nfs/dbraw/zinc/32/58/52/136325852.db2.gz SGVBIZNPNLBAKJ-SECBINFHSA-N 1 2 228.361 1.045 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000335693311 136325853 /nfs/dbraw/zinc/32/58/53/136325853.db2.gz SGVBIZNPNLBAKJ-SECBINFHSA-N 1 2 228.361 1.045 20 0 BDADLO CCN1CC[N@H+](Cc2cccnc2)[C@@H](C)C1=O ZINC000335696576 136326856 /nfs/dbraw/zinc/32/68/56/136326856.db2.gz OIRQVOASKHXMGE-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[N@@H+](Cc2cccnc2)[C@@H](C)C1=O ZINC000335696576 136326857 /nfs/dbraw/zinc/32/68/57/136326857.db2.gz OIRQVOASKHXMGE-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(C)n2)[C@@H](C)C1=O ZINC000335695780 136327215 /nfs/dbraw/zinc/32/72/15/136327215.db2.gz NBTRXZHGMRYHKN-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(C)n2)[C@@H](C)C1=O ZINC000335695780 136327216 /nfs/dbraw/zinc/32/72/16/136327216.db2.gz NBTRXZHGMRYHKN-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO Fc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000041045348 343413616 /nfs/dbraw/zinc/41/36/16/343413616.db2.gz DXRODEKTZCPRIY-UHFFFAOYSA-N 1 2 220.251 1.919 20 0 BDADLO Cn1cccc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000349405009 136344457 /nfs/dbraw/zinc/34/44/57/136344457.db2.gz GUYVCNMBLINIFH-SECBINFHSA-N 1 2 236.237 1.380 20 0 BDADLO Cn1cccc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000349405009 136344458 /nfs/dbraw/zinc/34/44/58/136344458.db2.gz GUYVCNMBLINIFH-SECBINFHSA-N 1 2 236.237 1.380 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCSCC2)s1 ZINC000335729415 136348160 /nfs/dbraw/zinc/34/81/60/136348160.db2.gz HBUCUAQEAHQHDA-SSDOTTSWSA-N 1 2 229.374 1.956 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000335734895 136350326 /nfs/dbraw/zinc/35/03/26/136350326.db2.gz HMIWMEPWMPGIOM-UHFFFAOYSA-N 1 2 236.290 1.454 20 0 BDADLO CC1(Cn2cc([C@H]3COCC[NH2+]3)nn2)CCC1 ZINC000641087841 362210773 /nfs/dbraw/zinc/21/07/73/362210773.db2.gz LRLMBAGCOCHOJD-LLVKDONJSA-N 1 2 236.319 1.129 20 0 BDADLO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349193599 136330925 /nfs/dbraw/zinc/33/09/25/136330925.db2.gz BDVJCRIGUZBDIJ-ZJUUUORDSA-N 1 2 239.319 1.630 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335704528 136335109 /nfs/dbraw/zinc/33/51/09/136335109.db2.gz GDUNYVGXCLIDNR-NSHDSACASA-N 1 2 249.358 1.950 20 0 BDADLO Cc1cc(NC(=O)C[C@H]2CCOC2)cc[nH+]1 ZINC000335704078 136335336 /nfs/dbraw/zinc/33/53/36/136335336.db2.gz UJVFYUWTSALTHZ-SNVBAGLBSA-N 1 2 220.272 1.177 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]2CCOC2)cc[nH+]1 ZINC000335704077 136335434 /nfs/dbraw/zinc/33/54/34/136335434.db2.gz UJVFYUWTSALTHZ-JTQLQIEISA-N 1 2 220.272 1.177 20 0 BDADLO C[C@H]1C[NH+](Cc2ccncc2)C[C@H](C)S1=O ZINC000335708800 136336703 /nfs/dbraw/zinc/33/67/03/136336703.db2.gz LAKBKVUXUGJAOM-QWRGUYRKSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H](C)[S@@]1=O ZINC000335708798 136336724 /nfs/dbraw/zinc/33/67/24/136336724.db2.gz LAKBKVUXUGJAOM-CULMDFNYSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2)C[C@H](C)[S@@]1=O ZINC000335708798 136336725 /nfs/dbraw/zinc/33/67/25/136336725.db2.gz LAKBKVUXUGJAOM-CULMDFNYSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@H](Cn1cccn1)[NH2+]CC(=O)OC(C)(C)C ZINC000042269763 343432963 /nfs/dbraw/zinc/43/29/63/343432963.db2.gz JKQYHFCFOAFQFP-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO Cc1ccc2c(c1)CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000335714534 136338580 /nfs/dbraw/zinc/33/85/80/136338580.db2.gz AULPVYXMHTUXKK-UHFFFAOYSA-N 1 2 241.294 1.734 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C)CCC1 ZINC000335879900 136356870 /nfs/dbraw/zinc/35/68/70/136356870.db2.gz CCRYDEAUZDGBNJ-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)n1C ZINC000335888450 136358251 /nfs/dbraw/zinc/35/82/51/136358251.db2.gz YJSCEWXNQQNVIK-UHFFFAOYSA-N 1 2 231.255 1.108 20 0 BDADLO Cc1cccnc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000335898614 136359896 /nfs/dbraw/zinc/35/98/96/136359896.db2.gz KKIQSTSTOMDWMV-UHFFFAOYSA-N 1 2 231.259 1.435 20 0 BDADLO C[C@H]([NH2+]CCNc1cnccn1)c1ccncc1 ZINC000350550301 136361789 /nfs/dbraw/zinc/36/17/89/136361789.db2.gz AMBITUNKBHJJQP-NSHDSACASA-N 1 2 243.314 1.056 20 0 BDADLO Cc1cc(CC[NH2+][C@@H](C)Cn2cccn2)on1 ZINC000353978659 136361947 /nfs/dbraw/zinc/36/19/47/136361947.db2.gz MMTFEKBZGLCCMZ-NSHDSACASA-N 1 2 234.303 1.400 20 0 BDADLO CC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000149384501 346943263 /nfs/dbraw/zinc/94/32/63/346943263.db2.gz KNMARZXUNSUTIO-GFCCVEGCSA-N 1 2 219.284 1.779 20 0 BDADLO CC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000149384501 346943265 /nfs/dbraw/zinc/94/32/65/346943265.db2.gz KNMARZXUNSUTIO-GFCCVEGCSA-N 1 2 219.284 1.779 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000070850819 343514124 /nfs/dbraw/zinc/51/41/24/343514124.db2.gz NCTOBHBHYKBWGH-BDAKNGLRSA-N 1 2 227.329 1.830 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616722665 343549735 /nfs/dbraw/zinc/54/97/35/343549735.db2.gz IWXJLXGFNFCISF-QWRGUYRKSA-N 1 2 219.288 1.284 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724222 343550656 /nfs/dbraw/zinc/55/06/56/343550656.db2.gz FPHCOCXGJISEOS-JQWIXIFHSA-N 1 2 233.315 1.364 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC=CC1 ZINC000616693539 343539212 /nfs/dbraw/zinc/53/92/12/343539212.db2.gz RVPOYPROYZFROV-GHMZBOCLSA-N 1 2 245.326 1.749 20 0 BDADLO Cn1c(Cl)cnc1C[NH+]1CCC(CO)CC1 ZINC000046091148 343539430 /nfs/dbraw/zinc/53/94/30/343539430.db2.gz SNRZTRNFAYBVEU-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)C(=O)OC ZINC000619183059 343544594 /nfs/dbraw/zinc/54/45/94/343544594.db2.gz NCROUYOXSIFTRB-PWSUYJOCSA-N 1 2 236.315 1.726 20 0 BDADLO C[C@H](O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000048235449 343573037 /nfs/dbraw/zinc/57/30/37/343573037.db2.gz VUKCDJISDUDCLO-GXTWGEPZSA-N 1 2 234.343 1.356 20 0 BDADLO C[C@H](O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000048235449 343573040 /nfs/dbraw/zinc/57/30/40/343573040.db2.gz VUKCDJISDUDCLO-GXTWGEPZSA-N 1 2 234.343 1.356 20 0 BDADLO Cn1c(CNCc2[nH]cc[nH+]2)nc2ccccc21 ZINC000070939403 343574242 /nfs/dbraw/zinc/57/42/42/343574242.db2.gz RAGCGTXASVJOJJ-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO Cn1c(C[NH2+]Cc2ncc[nH]2)nc2ccccc21 ZINC000070939403 343574245 /nfs/dbraw/zinc/57/42/45/343574245.db2.gz RAGCGTXASVJOJJ-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724807 343552136 /nfs/dbraw/zinc/55/21/36/343552136.db2.gz YEOTVNATCFFQFT-JQWIXIFHSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724807 343552139 /nfs/dbraw/zinc/55/21/39/343552139.db2.gz YEOTVNATCFFQFT-JQWIXIFHSA-N 1 2 233.315 1.743 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602899201 349815644 /nfs/dbraw/zinc/81/56/44/349815644.db2.gz NYRCTYNXFIEABT-LBPRGKRZSA-N 1 2 245.330 1.416 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602899201 349815649 /nfs/dbraw/zinc/81/56/49/349815649.db2.gz NYRCTYNXFIEABT-LBPRGKRZSA-N 1 2 245.330 1.416 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245380 343553212 /nfs/dbraw/zinc/55/32/12/343553212.db2.gz VWAJVMFWPYOXKP-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000140754395 343561615 /nfs/dbraw/zinc/56/16/15/343561615.db2.gz GNGDEROHXXGWLY-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCCC1 ZINC000047618568 343563942 /nfs/dbraw/zinc/56/39/42/343563942.db2.gz IXWSQEBLKARTNO-JTQLQIEISA-N 1 2 236.319 1.513 20 0 BDADLO CN(C)c1ccc(CNC(=O)NCC2CC2)c[nH+]1 ZINC000048854239 343588904 /nfs/dbraw/zinc/58/89/04/343588904.db2.gz IRTDATNSGXNRFD-UHFFFAOYSA-N 1 2 248.330 1.357 20 0 BDADLO COC(=O)c1ccc(CNCc2[nH]cc[nH+]2)o1 ZINC000071029333 343590659 /nfs/dbraw/zinc/59/06/59/343590659.db2.gz WPVHEXCCXSHKRY-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000071029333 343590661 /nfs/dbraw/zinc/59/06/61/343590661.db2.gz WPVHEXCCXSHKRY-UHFFFAOYSA-N 1 2 235.243 1.079 20 0 BDADLO CC(C)(NC(=O)Cc1ccco1)c1[nH]cc[nH+]1 ZINC000580574905 365784634 /nfs/dbraw/zinc/78/46/34/365784634.db2.gz PWNYDBVAZKCOAR-UHFFFAOYSA-N 1 2 233.271 1.597 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)ccc1O ZINC000622745761 343605515 /nfs/dbraw/zinc/60/55/15/343605515.db2.gz VRKUAEHOXNJJLU-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(F)cc1 ZINC000622745424 343606064 /nfs/dbraw/zinc/60/60/64/343606064.db2.gz KSTKMUOYBACHOM-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(F)cc1 ZINC000622745424 343606066 /nfs/dbraw/zinc/60/60/66/343606066.db2.gz KSTKMUOYBACHOM-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO COC(=O)CCC[N@H+](C)Cc1cn[nH]c1C ZINC000602943835 349825622 /nfs/dbraw/zinc/82/56/22/349825622.db2.gz RXLDAHKXEWXBAX-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO COC(=O)CCC[N@@H+](C)Cc1cn[nH]c1C ZINC000602943835 349825623 /nfs/dbraw/zinc/82/56/23/349825623.db2.gz RXLDAHKXEWXBAX-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000570342037 323056673 /nfs/dbraw/zinc/05/66/73/323056673.db2.gz ZJEFNXCCQGQSNZ-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO CCC(C)(C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000570342037 323056674 /nfs/dbraw/zinc/05/66/74/323056674.db2.gz ZJEFNXCCQGQSNZ-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO C[C@@H](c1csnn1)N1CCc2[nH+]c[nH]c2C1 ZINC000625435738 343732998 /nfs/dbraw/zinc/73/29/98/343732998.db2.gz UWQPTSIJAYPBLH-ZETCQYMHSA-N 1 2 235.316 1.381 20 0 BDADLO CSCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000309073678 346962280 /nfs/dbraw/zinc/96/22/80/346962280.db2.gz HUPYPINOLJQFNP-UHFFFAOYSA-N 1 2 227.337 1.021 20 0 BDADLO CSCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000309073678 346962283 /nfs/dbraw/zinc/96/22/83/346962283.db2.gz HUPYPINOLJQFNP-UHFFFAOYSA-N 1 2 227.337 1.021 20 0 BDADLO Cc1oc(C)c(C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC000135073280 343715276 /nfs/dbraw/zinc/71/52/76/343715276.db2.gz QOOZSKWQGCTRLR-UHFFFAOYSA-N 1 2 247.298 1.900 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000096554818 343778299 /nfs/dbraw/zinc/77/82/99/343778299.db2.gz TXNYTCAOPYHXSC-MRVPVSSYSA-N 1 2 234.303 1.876 20 0 BDADLO Cc1nsc(C)c1C[N@@H+](C)CC(=O)N(C)C ZINC000576574338 343753921 /nfs/dbraw/zinc/75/39/21/343753921.db2.gz AEEPVWJOMGMWNK-UHFFFAOYSA-N 1 2 241.360 1.280 20 0 BDADLO Cc1nsc(C)c1C[N@H+](C)CC(=O)N(C)C ZINC000576574338 343753923 /nfs/dbraw/zinc/75/39/23/343753923.db2.gz AEEPVWJOMGMWNK-UHFFFAOYSA-N 1 2 241.360 1.280 20 0 BDADLO Cc1nnc(CNc2nc(C)[nH+]cc2C)s1 ZINC000584124103 343763122 /nfs/dbraw/zinc/76/31/22/343763122.db2.gz UAZUKGSISHDRLY-UHFFFAOYSA-N 1 2 235.316 1.287 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCSC1 ZINC000336498367 537812959 /nfs/dbraw/zinc/81/29/59/537812959.db2.gz GXIGZCCSTQSQGW-SECBINFHSA-N 1 2 239.344 1.180 20 0 BDADLO CN(CC1CCOCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493735980 529865785 /nfs/dbraw/zinc/86/57/85/529865785.db2.gz DCPXZZLYOCUDKE-IHWYPQMZSA-N 1 2 249.314 1.308 20 0 BDADLO Cn1c[nH+]c(CN2CCOCC23CCC3)c1 ZINC000683897784 488239426 /nfs/dbraw/zinc/23/94/26/488239426.db2.gz GJTKNSIELMSDNR-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO CNC(=O)Oc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000495904244 529893503 /nfs/dbraw/zinc/89/35/03/529893503.db2.gz ITWCDLOCKZFAHU-UHFFFAOYSA-N 1 2 246.270 1.740 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1cn[nH]c1 ZINC000336706193 537828395 /nfs/dbraw/zinc/82/83/95/537828395.db2.gz RLOPWJBSQJOMHW-HTQZYQBOSA-N 1 2 205.265 1.545 20 0 BDADLO OCc1ccc(F)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000625456683 343858928 /nfs/dbraw/zinc/85/89/28/343858928.db2.gz FHJCLCSSPXCYOZ-NSHDSACASA-N 1 2 227.254 1.862 20 0 BDADLO OCc1ccc(F)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000625456683 343858930 /nfs/dbraw/zinc/85/89/30/343858930.db2.gz FHJCLCSSPXCYOZ-NSHDSACASA-N 1 2 227.254 1.862 20 0 BDADLO CC(C)c1nocc1C(=O)NCc1[nH]cc[nH+]1 ZINC000625490870 343886286 /nfs/dbraw/zinc/88/62/86/343886286.db2.gz ZTTDIPFGTQZJIC-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370967 347010748 /nfs/dbraw/zinc/01/07/48/347010748.db2.gz RNWQWGHVYBDHBI-QMTHXVAHSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370967 347010749 /nfs/dbraw/zinc/01/07/49/347010749.db2.gz RNWQWGHVYBDHBI-QMTHXVAHSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000603246446 349898791 /nfs/dbraw/zinc/89/87/91/349898791.db2.gz OBQMAPKTYZYPBU-LLVKDONJSA-N 1 2 248.326 1.963 20 0 BDADLO FC(F)(F)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641231295 362287299 /nfs/dbraw/zinc/28/72/99/362287299.db2.gz QHIPNCFEQXNLSV-UHFFFAOYSA-N 1 2 245.208 1.475 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[C@H]2C1 ZINC000619366077 343969333 /nfs/dbraw/zinc/96/93/33/343969333.db2.gz HXCWBEBSMYKZMJ-UWVGGRQHSA-N 1 2 219.288 1.211 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[C@H]2C1 ZINC000619366077 343969335 /nfs/dbraw/zinc/96/93/35/343969335.db2.gz HXCWBEBSMYKZMJ-UWVGGRQHSA-N 1 2 219.288 1.211 20 0 BDADLO Oc1ccc2c(c1)CN(CCn1cc[nH+]c1)C2 ZINC000625728076 344059200 /nfs/dbraw/zinc/05/92/00/344059200.db2.gz UMFMHFSTHPXHRT-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CC2(C)COC2)no1 ZINC000625792290 344076170 /nfs/dbraw/zinc/07/61/70/344076170.db2.gz UEEYIBRRDNAFIX-QMMMGPOBSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CC2(C)COC2)no1 ZINC000625792290 344076171 /nfs/dbraw/zinc/07/61/71/344076171.db2.gz UEEYIBRRDNAFIX-QMMMGPOBSA-N 1 2 225.292 1.407 20 0 BDADLO CCCCOCCCNc1cc(CO)cc[nH+]1 ZINC000641253713 362332786 /nfs/dbraw/zinc/33/27/86/362332786.db2.gz LFERBHRYCRSZGE-UHFFFAOYSA-N 1 2 238.331 1.615 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC(F)(F)CC2)[nH]1 ZINC000625770523 344066383 /nfs/dbraw/zinc/06/63/83/344066383.db2.gz LRQPIJLVTGFBKW-UHFFFAOYSA-N 1 2 244.289 1.988 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC(F)(F)CC2)[nH]1 ZINC000625770523 344066385 /nfs/dbraw/zinc/06/63/85/344066385.db2.gz LRQPIJLVTGFBKW-UHFFFAOYSA-N 1 2 244.289 1.988 20 0 BDADLO CN(Cc1cnn(C)c1)c1cc[nH+]cc1F ZINC000641262358 362337603 /nfs/dbraw/zinc/33/76/03/362337603.db2.gz GCEOIBRMASHCTG-UHFFFAOYSA-N 1 2 220.251 1.591 20 0 BDADLO COC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641272883 362340173 /nfs/dbraw/zinc/34/01/73/362340173.db2.gz XPESCXJUJXRYFY-UHFFFAOYSA-N 1 2 210.252 1.836 20 0 BDADLO CC(C)(C)n1cc(CNc2c[nH]c[nH+]2)nn1 ZINC000381177955 344111918 /nfs/dbraw/zinc/11/19/18/344111918.db2.gz VNXOWPCEJOUKAI-UHFFFAOYSA-N 1 2 220.280 1.368 20 0 BDADLO C[C@H](Cn1cccn1)Nc1cc(CO)cc[nH+]1 ZINC000641290748 362347286 /nfs/dbraw/zinc/34/72/86/362347286.db2.gz NIQYCFCNZRJOMN-SNVBAGLBSA-N 1 2 232.287 1.271 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734661 344115357 /nfs/dbraw/zinc/11/53/57/344115357.db2.gz LKFOLWCISDZEEE-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634734661 344115360 /nfs/dbraw/zinc/11/53/60/344115360.db2.gz LKFOLWCISDZEEE-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@H](C(F)F)CC1 ZINC000634734661 344115362 /nfs/dbraw/zinc/11/53/62/344115362.db2.gz LKFOLWCISDZEEE-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO C[C@H]1CC[C@@H](C(N)=O)CN1c1cc[nH+]cc1F ZINC000641299585 362351073 /nfs/dbraw/zinc/35/10/73/362351073.db2.gz OVGVFIDNXOQPGH-DTWKUNHWSA-N 1 2 237.278 1.311 20 0 BDADLO CC(C)OCCCNc1cc[nH+]cc1F ZINC000641254834 362334902 /nfs/dbraw/zinc/33/49/02/362334902.db2.gz XEIQGEMTAKSNPD-UHFFFAOYSA-N 1 2 212.268 1.870 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ncc[nH]1 ZINC000336750833 537840582 /nfs/dbraw/zinc/84/05/82/537840582.db2.gz UYWSQGQLSGIWLW-WCBMZHEXSA-N 1 2 237.328 1.855 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)CCCO1 ZINC000641338508 362369119 /nfs/dbraw/zinc/36/91/19/362369119.db2.gz KBBAMFMGUSXCIE-VIFPVBQESA-N 1 2 210.252 1.836 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ncc[nH]1 ZINC000336750832 537841597 /nfs/dbraw/zinc/84/15/97/537841597.db2.gz UYWSQGQLSGIWLW-SCZZXKLOSA-N 1 2 237.328 1.855 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cncs1 ZINC000092437696 344295686 /nfs/dbraw/zinc/29/56/86/344295686.db2.gz KRQUSTKCEMOJJP-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cncs1 ZINC000092437696 344295689 /nfs/dbraw/zinc/29/56/89/344295689.db2.gz KRQUSTKCEMOJJP-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CN(CCn1cccn1)c1cc[nH+]cc1F ZINC000641366737 362378822 /nfs/dbraw/zinc/37/88/22/362378822.db2.gz AMGMPARICZSAGY-UHFFFAOYSA-N 1 2 220.251 1.554 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641374291 362381844 /nfs/dbraw/zinc/38/18/44/362381844.db2.gz UOMOEHDTOVKYRI-GXSJLCMTSA-N 1 2 224.304 1.393 20 0 BDADLO c1snnc1C[NH2+]CCOCC1CC1 ZINC000133152457 344314111 /nfs/dbraw/zinc/31/41/11/344314111.db2.gz VDRSRLLGCOOFNE-UHFFFAOYSA-N 1 2 213.306 1.054 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)OC ZINC000300019369 344364963 /nfs/dbraw/zinc/36/49/63/344364963.db2.gz JDDFETJBGKFTPS-AXFHLTTASA-N 1 2 243.347 1.467 20 0 BDADLO CCN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573575624 344320246 /nfs/dbraw/zinc/32/02/46/344320246.db2.gz HLLOOUFJEILBAF-SECBINFHSA-N 1 2 209.293 1.457 20 0 BDADLO CCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573575624 344320248 /nfs/dbraw/zinc/32/02/48/344320248.db2.gz HLLOOUFJEILBAF-SECBINFHSA-N 1 2 209.293 1.457 20 0 BDADLO CC[N@@H+](Cc1ccccn1)C[C@H](O)C(F)(F)F ZINC000094923439 344332149 /nfs/dbraw/zinc/33/21/49/344332149.db2.gz FFLCCCPAQDBMQQ-JTQLQIEISA-N 1 2 248.248 1.827 20 0 BDADLO CC[N@H+](Cc1ccccn1)C[C@H](O)C(F)(F)F ZINC000094923439 344332150 /nfs/dbraw/zinc/33/21/50/344332150.db2.gz FFLCCCPAQDBMQQ-JTQLQIEISA-N 1 2 248.248 1.827 20 0 BDADLO Cc1ncccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620598933 344333745 /nfs/dbraw/zinc/33/37/45/344333745.db2.gz AGOKLVQSWAKAEC-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO Cc1cncnc1N(C)Cc1[nH]cc[nH+]1 ZINC000641378464 362383096 /nfs/dbraw/zinc/38/30/96/362383096.db2.gz IAJSHISKYIKTGJ-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OCC ZINC000600605421 344339316 /nfs/dbraw/zinc/33/93/16/344339316.db2.gz NQYZLEPZZWGIOZ-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1C ZINC000092617091 344299876 /nfs/dbraw/zinc/29/98/76/344299876.db2.gz CUKAYGXPZZOLTA-UHFFFAOYSA-N 1 2 246.314 1.841 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1C ZINC000092617091 344299878 /nfs/dbraw/zinc/29/98/78/344299878.db2.gz CUKAYGXPZZOLTA-UHFFFAOYSA-N 1 2 246.314 1.841 20 0 BDADLO CCc1nnc(C[N@@H+](CCO)[C@@H](C)CC)s1 ZINC000672568553 488260112 /nfs/dbraw/zinc/26/01/12/488260112.db2.gz YVUZMSIYVCDFSA-VIFPVBQESA-N 1 2 243.376 1.693 20 0 BDADLO CCc1nnc(C[N@H+](CCO)[C@@H](C)CC)s1 ZINC000672568553 488260117 /nfs/dbraw/zinc/26/01/17/488260117.db2.gz YVUZMSIYVCDFSA-VIFPVBQESA-N 1 2 243.376 1.693 20 0 BDADLO C[C@@H](CNc1cc[nH+]cc1F)C[C@H](C)O ZINC000641388636 362387957 /nfs/dbraw/zinc/38/79/57/362387957.db2.gz CMPRDXYBJYBYSO-BDAKNGLRSA-N 1 2 212.268 1.462 20 0 BDADLO C[C@@H](CNC(=O)c1occc1N)Cn1cc[nH+]c1 ZINC000573614084 344400469 /nfs/dbraw/zinc/40/04/69/344400469.db2.gz SUYIKXREFUXFBC-VIFPVBQESA-N 1 2 248.286 1.124 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@@H](CO)C2)no1 ZINC000363481053 344403836 /nfs/dbraw/zinc/40/38/36/344403836.db2.gz PQNPPKRRVVMCMU-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@@H](CO)C2)no1 ZINC000363481053 344403839 /nfs/dbraw/zinc/40/38/39/344403839.db2.gz PQNPPKRRVVMCMU-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC=CCC1 ZINC000605489844 344404626 /nfs/dbraw/zinc/40/46/26/344404626.db2.gz IXQCASKYNLNMBG-GFCCVEGCSA-N 1 2 233.315 1.888 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000584284990 344419196 /nfs/dbraw/zinc/41/91/96/344419196.db2.gz FJEQBAANJOJXIB-SSDOTTSWSA-N 1 2 248.252 1.779 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000584284990 344419198 /nfs/dbraw/zinc/41/91/98/344419198.db2.gz FJEQBAANJOJXIB-SSDOTTSWSA-N 1 2 248.252 1.779 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(C)ccn1 ZINC000616779158 344442479 /nfs/dbraw/zinc/44/24/79/344442479.db2.gz JBUCSBNNOJBVCQ-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(C)ccn1 ZINC000616779158 344442481 /nfs/dbraw/zinc/44/24/81/344442481.db2.gz JBUCSBNNOJBVCQ-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO CS[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378070 347051432 /nfs/dbraw/zinc/05/14/32/347051432.db2.gz DATQIOHYDKPBSR-ZETCQYMHSA-N 1 2 225.317 1.046 20 0 BDADLO CS[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378070 347051434 /nfs/dbraw/zinc/05/14/34/347051434.db2.gz DATQIOHYDKPBSR-ZETCQYMHSA-N 1 2 225.317 1.046 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](OC)C1CC1)C(C)C ZINC000400259818 344449006 /nfs/dbraw/zinc/44/90/06/344449006.db2.gz SKCCDLXLOJAITO-WDEREUQCSA-N 1 2 229.320 1.199 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000622238983 344465206 /nfs/dbraw/zinc/46/52/06/344465206.db2.gz LCLXQDRVWMJEHC-HTAVTVPLSA-N 1 2 247.342 1.608 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCCCO1 ZINC000042815535 344468408 /nfs/dbraw/zinc/46/84/08/344468408.db2.gz HHNLJLPAKDEGKO-NSHDSACASA-N 1 2 209.293 1.377 20 0 BDADLO CCn1nc(C)c(CNc2c[nH]c[nH+]2)c1C ZINC000381443288 344507309 /nfs/dbraw/zinc/50/73/09/344507309.db2.gz ACTBOJUIDWTFFB-UHFFFAOYSA-N 1 2 219.292 1.855 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CC1CCC1)C(=O)OC ZINC000381474413 344510620 /nfs/dbraw/zinc/51/06/20/344510620.db2.gz QACPIPOEDBAPGN-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO CN(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000263835658 344526488 /nfs/dbraw/zinc/52/64/88/344526488.db2.gz UGFOWEAJBZRIJR-UHFFFAOYSA-N 1 2 229.283 1.498 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[C@@H]1CCOC1 ZINC000573862379 344538756 /nfs/dbraw/zinc/53/87/56/344538756.db2.gz JTTGCUZAQGELIO-GFCCVEGCSA-N 1 2 235.331 1.744 20 0 BDADLO Cc1cnccc1CCNc1cc(CO)cc[nH+]1 ZINC000641460849 362433032 /nfs/dbraw/zinc/43/30/32/362433032.db2.gz DVSZFAWWMPNTEI-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152534416 344596834 /nfs/dbraw/zinc/59/68/34/344596834.db2.gz UMBJUOWYKAMPGI-IJLUTSLNSA-N 1 2 245.326 1.433 20 0 BDADLO C[C@@](O)(CNc1cc[nH+]cc1F)C(F)(F)F ZINC000641466055 362440017 /nfs/dbraw/zinc/44/00/17/362440017.db2.gz LHMZTVMAVNLAGD-MRVPVSSYSA-N 1 2 238.184 1.368 20 0 BDADLO CC[C@H](CCO)CNc1cc(CO)cc[nH+]1 ZINC000641428934 362412552 /nfs/dbraw/zinc/41/25/52/362412552.db2.gz PSJDCTGIWWGIKH-SNVBAGLBSA-N 1 2 224.304 1.394 20 0 BDADLO c1cn(C2CN(c3cc(C4CC4)ncn3)C2)c[nH+]1 ZINC000641433633 362415194 /nfs/dbraw/zinc/41/51/94/362415194.db2.gz NPJKDUHAMBZPHZ-UHFFFAOYSA-N 1 2 241.298 1.612 20 0 BDADLO CO[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641481383 362448329 /nfs/dbraw/zinc/44/83/29/362448329.db2.gz XMRITKMOADSJDT-SKDRFNHKSA-N 1 2 224.279 1.870 20 0 BDADLO OCC1(CNc2cc[nH+]cc2F)CCC1 ZINC000641486900 362453607 /nfs/dbraw/zinc/45/36/07/362453607.db2.gz JJUUSXQCUUVADP-UHFFFAOYSA-N 1 2 210.252 1.217 20 0 BDADLO CC(C)OCCNc1cc(CO)cc[nH+]1 ZINC000641489567 362457634 /nfs/dbraw/zinc/45/76/34/362457634.db2.gz SCKARPHBHCFYPL-UHFFFAOYSA-N 1 2 210.277 1.411 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641498017 362461816 /nfs/dbraw/zinc/46/18/16/362461816.db2.gz VCDGJVBPJWEFHR-KXMPLOMGSA-N 1 2 222.288 1.313 20 0 BDADLO CCOC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641502318 362464387 /nfs/dbraw/zinc/46/43/87/362464387.db2.gz MKEVVJKDTDHEBY-VIFPVBQESA-N 1 2 210.277 1.411 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)CC[C@@H]1O ZINC000641502010 362464563 /nfs/dbraw/zinc/46/45/63/362464563.db2.gz ACNADMWWVFYWMO-KWQFWETISA-N 1 2 210.252 1.428 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@H](n2cncn2)C1 ZINC000641501197 362464630 /nfs/dbraw/zinc/46/46/30/362464630.db2.gz TXUOMADAEYTVIO-VIFPVBQESA-N 1 2 233.250 1.264 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)CC[C@@H]1O ZINC000641502008 362464642 /nfs/dbraw/zinc/46/46/42/362464642.db2.gz ACNADMWWVFYWMO-KCJUWKMLSA-N 1 2 210.252 1.428 20 0 BDADLO CCC(O)(CC)CCNc1cc[nH+]cc1F ZINC000641527762 362481127 /nfs/dbraw/zinc/48/11/27/362481127.db2.gz STAUOLPRQLSJEC-UHFFFAOYSA-N 1 2 226.295 1.996 20 0 BDADLO CC[C@@]1(C)CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641523658 362481208 /nfs/dbraw/zinc/48/12/08/362481208.db2.gz SIGOILCTJLIYLE-ZDUSSCGKSA-N 1 2 236.315 1.579 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641536730 362486660 /nfs/dbraw/zinc/48/66/60/362486660.db2.gz GRUDDKKTZCSLKV-ONGXEEELSA-N 1 2 222.288 1.411 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626001490 344662312 /nfs/dbraw/zinc/66/23/12/344662312.db2.gz RCTFSGNCMYTTTD-NSHDSACASA-N 1 2 242.294 1.852 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626001490 344662313 /nfs/dbraw/zinc/66/23/13/344662313.db2.gz RCTFSGNCMYTTTD-NSHDSACASA-N 1 2 242.294 1.852 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H](CCF)C2)n1 ZINC000626006502 344664857 /nfs/dbraw/zinc/66/48/57/344664857.db2.gz ZOBGCQPAZKJUSH-LBPRGKRZSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H](CCF)C2)n1 ZINC000626006502 344664859 /nfs/dbraw/zinc/66/48/59/344664859.db2.gz ZOBGCQPAZKJUSH-LBPRGKRZSA-N 1 2 239.294 1.345 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017309 344673859 /nfs/dbraw/zinc/67/38/59/344673859.db2.gz HCKULWWZVJQPLV-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017309 344673861 /nfs/dbraw/zinc/67/38/61/344673861.db2.gz HCKULWWZVJQPLV-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCO ZINC000626017250 344673906 /nfs/dbraw/zinc/67/39/06/344673906.db2.gz DCWNUXMSAVZYQR-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCO ZINC000626017250 344673908 /nfs/dbraw/zinc/67/39/08/344673908.db2.gz DCWNUXMSAVZYQR-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](Cc1nc([C@@H]2CCOC2)no1)n1cc[nH+]c1 ZINC000351394226 344751211 /nfs/dbraw/zinc/75/12/11/344751211.db2.gz BWMUJWZHRCFLBC-VHSXEESVSA-N 1 2 248.286 1.574 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OCCCF ZINC000496683474 530016205 /nfs/dbraw/zinc/01/62/05/530016205.db2.gz WTBPNWTZKMHYQD-UHFFFAOYSA-N 1 2 215.228 1.338 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OCCCF ZINC000496683474 530016207 /nfs/dbraw/zinc/01/62/07/530016207.db2.gz WTBPNWTZKMHYQD-UHFFFAOYSA-N 1 2 215.228 1.338 20 0 BDADLO CCSCC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000075418477 344771168 /nfs/dbraw/zinc/77/11/68/344771168.db2.gz URXPIUVYGREDRU-MRVPVSSYSA-N 1 2 241.360 1.980 20 0 BDADLO CN(Cc1nccs1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493625479 530027923 /nfs/dbraw/zinc/02/79/23/530027923.db2.gz OOLIGQISINKAKK-IHWYPQMZSA-N 1 2 248.311 1.538 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075531603 344773998 /nfs/dbraw/zinc/77/39/98/344773998.db2.gz ZGSREZBFFKZHKG-NXEZZACHSA-N 1 2 237.303 1.151 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC000673037431 488271964 /nfs/dbraw/zinc/27/19/64/488271964.db2.gz CGKKKIYEEASENF-VIFPVBQESA-N 1 2 221.304 1.267 20 0 BDADLO C[C@@H](Cc1nc(-c2cocn2)no1)n1cc[nH+]c1 ZINC000351515151 344782515 /nfs/dbraw/zinc/78/25/15/344782515.db2.gz QGTPCDRPGGALSJ-QMMMGPOBSA-N 1 2 245.242 1.725 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000075892861 344787380 /nfs/dbraw/zinc/78/73/80/344787380.db2.gz YTGIPGRGQQDJCC-DTORHVGOSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000075892861 344787381 /nfs/dbraw/zinc/78/73/81/344787381.db2.gz YTGIPGRGQQDJCC-DTORHVGOSA-N 1 2 241.360 1.958 20 0 BDADLO O=C(NC1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075959465 344788757 /nfs/dbraw/zinc/78/87/57/344788757.db2.gz QSSFEMFKSFRZKC-SECBINFHSA-N 1 2 234.303 1.461 20 0 BDADLO C[C@]1(C(=O)NCCNc2cccc[nH+]2)C[C@H]1F ZINC000425149413 192077123 /nfs/dbraw/zinc/07/71/23/192077123.db2.gz WKMZZGSGDBEZON-SKDRFNHKSA-N 1 2 237.278 1.358 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CC=CC1 ZINC000076991410 344812615 /nfs/dbraw/zinc/81/26/15/344812615.db2.gz FFFQSTCRCYVLKW-UHFFFAOYSA-N 1 2 205.261 1.003 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC=CCC2)c[nH+]1 ZINC000077039044 344813050 /nfs/dbraw/zinc/81/30/50/344813050.db2.gz CJRGHHFIVCJGHY-SECBINFHSA-N 1 2 205.261 1.557 20 0 BDADLO Cc1[nH]c(CN2CCOC(C)(C)C2)[nH+]c1C ZINC000628144565 344814201 /nfs/dbraw/zinc/81/42/01/344814201.db2.gz JDPVAILXYKVNFT-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000077280592 344815235 /nfs/dbraw/zinc/81/52/35/344815235.db2.gz YZISFINHGSYREC-MRVPVSSYSA-N 1 2 238.253 1.395 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000077280592 344815237 /nfs/dbraw/zinc/81/52/37/344815237.db2.gz YZISFINHGSYREC-MRVPVSSYSA-N 1 2 238.253 1.395 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1cc[nH+]c(C)n1 ZINC000078253491 344837735 /nfs/dbraw/zinc/83/77/35/344837735.db2.gz GGDRZYKLAHIUSV-PSASIEDQSA-N 1 2 209.293 1.604 20 0 BDADLO O=C(C=C(C1CC1)C1CC1)NCCn1cc[nH+]c1 ZINC000077568614 344822723 /nfs/dbraw/zinc/82/27/23/344822723.db2.gz VIEUWCHVHNPRQE-UHFFFAOYSA-N 1 2 245.326 1.746 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000628153945 344843054 /nfs/dbraw/zinc/84/30/54/344843054.db2.gz HVFMCWLRSPFUTN-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000628153945 344843055 /nfs/dbraw/zinc/84/30/55/344843055.db2.gz HVFMCWLRSPFUTN-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C ZINC000583389091 344874407 /nfs/dbraw/zinc/87/44/07/344874407.db2.gz ALMQQYXJWRYCJP-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C ZINC000583389091 344874408 /nfs/dbraw/zinc/87/44/08/344874408.db2.gz ALMQQYXJWRYCJP-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO CCc1nnc([C@H](C)N(C)Cc2[nH+]ccn2C)o1 ZINC000153467923 344884416 /nfs/dbraw/zinc/88/44/16/344884416.db2.gz GMVMKNRUCJHNHU-VIFPVBQESA-N 1 2 249.318 1.559 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnc(C2CC2)o1 ZINC000628175806 344900099 /nfs/dbraw/zinc/90/00/99/344900099.db2.gz KQIAAPNACLPNCM-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnc(C2CC2)o1 ZINC000628175806 344900101 /nfs/dbraw/zinc/90/01/01/344900101.db2.gz KQIAAPNACLPNCM-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO CCn1cc(CN(C)Cc2[nH]cc(C)[nH+]2)cn1 ZINC000628176390 344904465 /nfs/dbraw/zinc/90/44/65/344904465.db2.gz ICEQIOSGCYNGNL-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628179028 344913311 /nfs/dbraw/zinc/91/33/11/344913311.db2.gz LRSMBICVWWSJKV-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH]c(CN2CC[C@@](O)(C(F)(F)F)C2)[nH+]1 ZINC000628183289 344929354 /nfs/dbraw/zinc/92/93/54/344929354.db2.gz WBDBWQIFMLLLJB-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO CCn1cc(CN(C)Cc2c[nH+]cn2CC)cn1 ZINC000583430228 344948356 /nfs/dbraw/zinc/94/83/56/344948356.db2.gz AXTBEQUNDVDFPQ-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO CC(C)(C)n1ncnc1CNc1cc[nH+]cc1F ZINC000641554447 362499613 /nfs/dbraw/zinc/49/96/13/362499613.db2.gz HYVZFZQHHQSDEL-UHFFFAOYSA-N 1 2 249.293 1.601 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000641560875 362501618 /nfs/dbraw/zinc/50/16/18/362501618.db2.gz IBGMJRSTOPTUJE-QWHCGFSZSA-N 1 2 248.326 1.722 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000079885314 345049104 /nfs/dbraw/zinc/04/91/04/345049104.db2.gz HJXOUTOONFUVFX-JTQLQIEISA-N 1 2 221.304 1.211 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000079885314 345049107 /nfs/dbraw/zinc/04/91/07/345049107.db2.gz HJXOUTOONFUVFX-JTQLQIEISA-N 1 2 221.304 1.211 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154092689 345014552 /nfs/dbraw/zinc/01/45/52/345014552.db2.gz WHMATBMXXCZVFE-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154092689 345014555 /nfs/dbraw/zinc/01/45/55/345014555.db2.gz WHMATBMXXCZVFE-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO C[C@@H](SCc1cn(C)c[nH+]1)[C@H](C)O ZINC000603322620 349922330 /nfs/dbraw/zinc/92/23/30/349922330.db2.gz WEZFESXQRNKENT-JGVFFNPUSA-N 1 2 200.307 1.423 20 0 BDADLO C[C@@H](O)[C@@H](C)SCc1cn(C)c[nH+]1 ZINC000603322618 349922334 /nfs/dbraw/zinc/92/23/34/349922334.db2.gz WEZFESXQRNKENT-HTQZYQBOSA-N 1 2 200.307 1.423 20 0 BDADLO C[C@@H](CCCO)CNc1cc(CO)cc[nH+]1 ZINC000641615150 362547526 /nfs/dbraw/zinc/54/75/26/362547526.db2.gz GOJMICPDJVFIKO-JTQLQIEISA-N 1 2 224.304 1.394 20 0 BDADLO Cc1nnsc1CNc1cc(CO)cc[nH+]1 ZINC000641606672 362543296 /nfs/dbraw/zinc/54/32/96/362543296.db2.gz LOGFKOPJNFKKPD-UHFFFAOYSA-N 1 2 236.300 1.346 20 0 BDADLO CC1(C)COC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641628674 362558640 /nfs/dbraw/zinc/55/86/40/362558640.db2.gz GJUFQKSJQHLNFZ-JTQLQIEISA-N 1 2 222.288 1.411 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)c1ccn(C)n1 ZINC000641629959 362560618 /nfs/dbraw/zinc/56/06/18/362560618.db2.gz OVODIZWLALFJJG-QMMMGPOBSA-N 1 2 220.251 1.549 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CS1 ZINC000641632082 362562783 /nfs/dbraw/zinc/56/27/83/362562783.db2.gz KRDDVVQCWKWNKB-PSASIEDQSA-N 1 2 224.329 1.880 20 0 BDADLO C[NH+](C)[C@@H](CNCc1ccon1)c1ccco1 ZINC000634949848 345124624 /nfs/dbraw/zinc/12/46/24/345124624.db2.gz BQYNPSVMDAXQAS-NSHDSACASA-N 1 2 235.287 1.660 20 0 BDADLO COCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635057417 345231527 /nfs/dbraw/zinc/23/15/27/345231527.db2.gz WQQNMQSSPWCPQQ-NSHDSACASA-N 1 2 239.319 1.233 20 0 BDADLO CCc1c[nH]c(CC(=O)N(CC)CC)[nH+]1 ZINC000635062589 345234008 /nfs/dbraw/zinc/23/40/08/345234008.db2.gz AVAAXHGSHHITNP-UHFFFAOYSA-N 1 2 209.293 1.383 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635064105 345235006 /nfs/dbraw/zinc/23/50/06/345235006.db2.gz QETXMTNKMUYDFY-GMTAPVOTSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635064105 345235009 /nfs/dbraw/zinc/23/50/09/345235009.db2.gz QETXMTNKMUYDFY-GMTAPVOTSA-N 1 2 233.315 1.772 20 0 BDADLO C/C=C(\C)C(=O)Nc1c[nH+]ccc1OC ZINC000080476826 345235807 /nfs/dbraw/zinc/23/58/07/345235807.db2.gz RDCQYFXHSHWYHV-XBXARRHUSA-N 1 2 206.245 1.995 20 0 BDADLO CC(C)C[C@@H](C(=O)NC1CC1)n1cc[nH+]c1 ZINC000635084887 345243521 /nfs/dbraw/zinc/24/35/21/345243521.db2.gz FXUBBBMVCRDGTM-NSHDSACASA-N 1 2 221.304 1.749 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635346828 345316853 /nfs/dbraw/zinc/31/68/53/345316853.db2.gz XKEUXTCSXAVRBM-RKDXNWHRSA-N 1 2 245.286 1.492 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635346828 345316856 /nfs/dbraw/zinc/31/68/56/345316856.db2.gz XKEUXTCSXAVRBM-RKDXNWHRSA-N 1 2 245.286 1.492 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC000635186238 345267147 /nfs/dbraw/zinc/26/71/47/345267147.db2.gz ZYPHJEGHUPUCKF-GHMZBOCLSA-N 1 2 233.315 1.914 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC000635186238 345267149 /nfs/dbraw/zinc/26/71/49/345267149.db2.gz ZYPHJEGHUPUCKF-GHMZBOCLSA-N 1 2 233.315 1.914 20 0 BDADLO CCc1c[nH]c(CC(=O)NC(C)(C)CC)[nH+]1 ZINC000635200575 345271953 /nfs/dbraw/zinc/27/19/53/345271953.db2.gz GHGDIKFXYHSRDN-UHFFFAOYSA-N 1 2 223.320 1.819 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635244045 345281891 /nfs/dbraw/zinc/28/18/91/345281891.db2.gz MRFDWGDHKQTKNG-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635244045 345281893 /nfs/dbraw/zinc/28/18/93/345281893.db2.gz MRFDWGDHKQTKNG-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO Cc1nc(NC2CCC(F)(F)CC2)nc(N)[nH+]1 ZINC000390242147 345310437 /nfs/dbraw/zinc/31/04/37/345310437.db2.gz CDUCRJXRGIAVRN-UHFFFAOYSA-N 1 2 243.261 1.582 20 0 BDADLO Cc1nc(N)nc(NC2CCC(F)(F)CC2)[nH+]1 ZINC000390242147 345310439 /nfs/dbraw/zinc/31/04/39/345310439.db2.gz CDUCRJXRGIAVRN-UHFFFAOYSA-N 1 2 243.261 1.582 20 0 BDADLO Cc1[nH]cnc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000635407311 345350993 /nfs/dbraw/zinc/35/09/93/345350993.db2.gz SXYBABKIUWUITI-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO O=C(NC[C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635430255 345365638 /nfs/dbraw/zinc/36/56/38/345365638.db2.gz ZWMGYEBNCYYUOP-IJLUTSLNSA-N 1 2 245.326 1.986 20 0 BDADLO O=C(NC[C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635430255 345365642 /nfs/dbraw/zinc/36/56/42/345365642.db2.gz ZWMGYEBNCYYUOP-IJLUTSLNSA-N 1 2 245.326 1.986 20 0 BDADLO CCc1cc(NCC2CCOCC2)nc[nH+]1 ZINC000082545032 345366626 /nfs/dbraw/zinc/36/66/26/345366626.db2.gz NISFLLWHSMZERH-UHFFFAOYSA-N 1 2 221.304 1.878 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC1CC1 ZINC000080620923 345368011 /nfs/dbraw/zinc/36/80/11/345368011.db2.gz RMPFIRWJLBVILV-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO COCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635467405 345384478 /nfs/dbraw/zinc/38/44/78/345384478.db2.gz RQHUPOGIXUDKFT-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO COCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635467405 345384480 /nfs/dbraw/zinc/38/44/80/345384480.db2.gz RQHUPOGIXUDKFT-OPRDCNLKSA-N 1 2 237.303 1.054 20 0 BDADLO O[C@@H](CCNc1cccc[nH+]1)C(F)F ZINC000631461853 345385032 /nfs/dbraw/zinc/38/50/32/345385032.db2.gz OYUJLBBBRUMJIG-ZETCQYMHSA-N 1 2 202.204 1.510 20 0 BDADLO CC(C)(C(=O)N1CC(n2cc[nH+]c2)C1)C(F)F ZINC000684283715 488285808 /nfs/dbraw/zinc/28/58/08/488285808.db2.gz PBDHGIWEKYFTLX-UHFFFAOYSA-N 1 2 243.257 1.558 20 0 BDADLO C[C@H](C[S@](C)=O)Nc1cc(C2CC2)[nH+]cn1 ZINC000603335828 349927098 /nfs/dbraw/zinc/92/70/98/349927098.db2.gz YPIROEFRPYHAMR-BCTVWOGZSA-N 1 2 239.344 1.533 20 0 BDADLO C[C@@H](C[S@](C)=O)Nc1cc(C2CC2)[nH+]cn1 ZINC000603335829 349927447 /nfs/dbraw/zinc/92/74/47/349927447.db2.gz YPIROEFRPYHAMR-PWJLMRLQSA-N 1 2 239.344 1.533 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@@H](C)O)o1 ZINC000159327609 345424742 /nfs/dbraw/zinc/42/47/42/345424742.db2.gz ZQORMFWIAYCUAM-SFYZADRCSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@@H](C)O)o1 ZINC000159327609 345424747 /nfs/dbraw/zinc/42/47/47/345424747.db2.gz ZQORMFWIAYCUAM-SFYZADRCSA-N 1 2 213.281 1.006 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1C1CC1 ZINC000635496776 345399111 /nfs/dbraw/zinc/39/91/11/345399111.db2.gz SKGQIKNSCCQQPQ-NQBHXWOUSA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1C1CC1 ZINC000635496776 345399113 /nfs/dbraw/zinc/39/91/13/345399113.db2.gz SKGQIKNSCCQQPQ-NQBHXWOUSA-N 1 2 245.326 1.914 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)C1CC1)C1CC1 ZINC000082275676 345500679 /nfs/dbraw/zinc/50/06/79/345500679.db2.gz PCIOKXRYFQLURB-SNVBAGLBSA-N 1 2 219.288 1.397 20 0 BDADLO CN(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000082276036 345500700 /nfs/dbraw/zinc/50/07/00/345500700.db2.gz WEMBIKSJMMYJDJ-UHFFFAOYSA-N 1 2 222.292 1.202 20 0 BDADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C(F)(F)F ZINC000082277988 345501306 /nfs/dbraw/zinc/50/13/06/345501306.db2.gz BMCQJJCUEIFVCT-UHFFFAOYSA-N 1 2 247.220 1.609 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H]3COC[C@@H]3C2)c1 ZINC000641666359 362588671 /nfs/dbraw/zinc/58/86/71/362588671.db2.gz DONMODKQFSFOCB-RYUDHWBXSA-N 1 2 234.299 1.047 20 0 BDADLO COC[C@@H]1CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000081002583 345458488 /nfs/dbraw/zinc/45/84/88/345458488.db2.gz CRFKXSIQXDHAOB-SNVBAGLBSA-N 1 2 246.314 1.739 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](C)CCO)[nH+]1 ZINC000081006334 345461191 /nfs/dbraw/zinc/46/11/91/345461191.db2.gz JXPSWFJOJAGVGT-MRVPVSSYSA-N 1 2 234.303 1.697 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)n1 ZINC000626117969 345464557 /nfs/dbraw/zinc/46/45/57/345464557.db2.gz VVHZTLBGJAISCO-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)n1 ZINC000626117969 345464561 /nfs/dbraw/zinc/46/45/61/345464561.db2.gz VVHZTLBGJAISCO-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)o1 ZINC000090884363 345577894 /nfs/dbraw/zinc/57/78/94/345577894.db2.gz CRDGERSXYDGTOL-CMPLNLGQSA-N 1 2 249.314 1.706 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)o1 ZINC000090884362 345578223 /nfs/dbraw/zinc/57/82/23/345578223.db2.gz CRDGERSXYDGTOL-ZYHUDNBSSA-N 1 2 249.314 1.706 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccco1 ZINC000090885551 345578309 /nfs/dbraw/zinc/57/83/09/345578309.db2.gz CTHIDFGRYUCHCX-ONGXEEELSA-N 1 2 235.287 1.397 20 0 BDADLO CCc1noc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)n1 ZINC000118417733 345547097 /nfs/dbraw/zinc/54/70/97/345547097.db2.gz WIXSGOQZJPQMNY-DTWKUNHWSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1noc(C[N@H+]2CCS[C@H](C)[C@@H]2C)n1 ZINC000118417733 345547101 /nfs/dbraw/zinc/54/71/01/345547101.db2.gz WIXSGOQZJPQMNY-DTWKUNHWSA-N 1 2 241.360 1.958 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CCC=CCC1 ZINC000635549853 345595099 /nfs/dbraw/zinc/59/50/99/345595099.db2.gz CROIIFKCCAKYSN-UHFFFAOYSA-N 1 2 219.288 1.772 20 0 BDADLO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091551885 345597077 /nfs/dbraw/zinc/59/70/77/345597077.db2.gz CGNCKYMHLPKYNJ-SECBINFHSA-N 1 2 238.335 1.499 20 0 BDADLO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091551885 345597079 /nfs/dbraw/zinc/59/70/79/345597079.db2.gz CGNCKYMHLPKYNJ-SECBINFHSA-N 1 2 238.335 1.499 20 0 BDADLO CC[C@@H](C)[C@@H](C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556506 345598208 /nfs/dbraw/zinc/59/82/08/345598208.db2.gz WKECPWRWZKYXOB-RKDXNWHRSA-N 1 2 238.335 1.497 20 0 BDADLO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091556506 345598211 /nfs/dbraw/zinc/59/82/11/345598211.db2.gz WKECPWRWZKYXOB-RKDXNWHRSA-N 1 2 238.335 1.497 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091587585 345599305 /nfs/dbraw/zinc/59/93/05/345599305.db2.gz JTZLZPIXYMSHBH-LLVKDONJSA-N 1 2 224.308 1.110 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091587585 345599307 /nfs/dbraw/zinc/59/93/07/345599307.db2.gz JTZLZPIXYMSHBH-LLVKDONJSA-N 1 2 224.308 1.110 20 0 BDADLO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091633265 345602524 /nfs/dbraw/zinc/60/25/24/345602524.db2.gz QJIYINBVAULLCC-SECBINFHSA-N 1 2 238.335 1.499 20 0 BDADLO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091633265 345602526 /nfs/dbraw/zinc/60/25/26/345602526.db2.gz QJIYINBVAULLCC-SECBINFHSA-N 1 2 238.335 1.499 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCO[C@@H]1C ZINC000092346943 345631693 /nfs/dbraw/zinc/63/16/93/345631693.db2.gz CDNFRZMVCMWOBQ-BDAKNGLRSA-N 1 2 236.271 1.454 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092617192 345641608 /nfs/dbraw/zinc/64/16/08/345641608.db2.gz ADUSMDXXURAEOW-VIFPVBQESA-N 1 2 232.287 1.703 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092617192 345641610 /nfs/dbraw/zinc/64/16/10/345641610.db2.gz ADUSMDXXURAEOW-VIFPVBQESA-N 1 2 232.287 1.703 20 0 BDADLO CCC[C@@H](CCO)Nc1cc[nH+]cc1F ZINC000641680759 362601830 /nfs/dbraw/zinc/60/18/30/362601830.db2.gz XZDFZOFJKNFIOL-VIFPVBQESA-N 1 2 212.268 1.606 20 0 BDADLO CN(c1cc[nH+]cc1F)[C@@H]1CCCC[C@H]1O ZINC000641680167 362602316 /nfs/dbraw/zinc/60/23/16/362602316.db2.gz LLXCJTCRWPNNIY-VXGBXAGGSA-N 1 2 224.279 1.960 20 0 BDADLO CCCN(CC)c1nc(N)[nH+]c(C2CC2)n1 ZINC000304503421 537904426 /nfs/dbraw/zinc/90/44/26/537904426.db2.gz QMSFPAUNFWRTEL-UHFFFAOYSA-N 1 2 221.308 1.568 20 0 BDADLO CCCN(CC)c1nc(N)nc(C2CC2)[nH+]1 ZINC000304503421 537904432 /nfs/dbraw/zinc/90/44/32/537904432.db2.gz QMSFPAUNFWRTEL-UHFFFAOYSA-N 1 2 221.308 1.568 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000093401878 345669963 /nfs/dbraw/zinc/66/99/63/345669963.db2.gz PESKCKGWJCOWEF-JOYOIKCWSA-N 1 2 249.314 1.625 20 0 BDADLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOC1 ZINC000635559330 345747096 /nfs/dbraw/zinc/74/70/96/345747096.db2.gz FGKIPPAVFLGAPP-GIPNMCIBSA-N 1 2 249.314 1.056 20 0 BDADLO C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOC1 ZINC000635559330 345747100 /nfs/dbraw/zinc/74/71/00/345747100.db2.gz FGKIPPAVFLGAPP-GIPNMCIBSA-N 1 2 249.314 1.056 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2ccc(C)cc2C1 ZINC000082791747 345759911 /nfs/dbraw/zinc/75/99/11/345759911.db2.gz PUYODBMKIRYLDW-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2ccc(C)cc2C1 ZINC000082791747 345759913 /nfs/dbraw/zinc/75/99/13/345759913.db2.gz PUYODBMKIRYLDW-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO Cc1nc(N2CCOCC2)c(C)c(C)[nH+]1 ZINC000230609062 345752119 /nfs/dbraw/zinc/75/21/19/345752119.db2.gz XAMSLBIJWQAOBW-UHFFFAOYSA-N 1 2 207.277 1.238 20 0 BDADLO CC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000212020459 345738308 /nfs/dbraw/zinc/73/83/08/345738308.db2.gz FRESUODQQPSBFC-SECBINFHSA-N 1 2 232.274 1.242 20 0 BDADLO CC(C)SCC(=O)NCc1[nH]cc[nH+]1 ZINC000070651641 345794848 /nfs/dbraw/zinc/79/48/48/345794848.db2.gz LMUHZKFQOHYZPX-UHFFFAOYSA-N 1 2 213.306 1.168 20 0 BDADLO C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000381396703 345799178 /nfs/dbraw/zinc/79/91/78/345799178.db2.gz VVJPSVGMIFNSMC-NSHDSACASA-N 1 2 246.358 1.993 20 0 BDADLO COCC[NH+](CCOC)Cc1nc(C)c(C)o1 ZINC000139604682 345799332 /nfs/dbraw/zinc/79/93/32/345799332.db2.gz MVVWYKVKDJCDOQ-UHFFFAOYSA-N 1 2 242.319 1.386 20 0 BDADLO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000201944966 345804103 /nfs/dbraw/zinc/80/41/03/345804103.db2.gz ZRWABJFFZOBGJF-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000235761690 345851856 /nfs/dbraw/zinc/85/18/56/345851856.db2.gz LAEITKIQEXSDKJ-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000235761690 345851860 /nfs/dbraw/zinc/85/18/60/345851860.db2.gz LAEITKIQEXSDKJ-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO COC(=O)c1cc(N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000603378877 349939219 /nfs/dbraw/zinc/93/92/19/349939219.db2.gz FDDKEAPNOWXNDP-SSDOTTSWSA-N 1 2 247.258 1.159 20 0 BDADLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635605500 345889461 /nfs/dbraw/zinc/88/94/61/345889461.db2.gz MGZCWFJVKVYCFU-NXEZZACHSA-N 1 2 233.315 1.818 20 0 BDADLO CC(C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635605500 345889464 /nfs/dbraw/zinc/88/94/64/345889464.db2.gz MGZCWFJVKVYCFU-NXEZZACHSA-N 1 2 233.315 1.818 20 0 BDADLO CC(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000050992115 345867703 /nfs/dbraw/zinc/86/77/03/345867703.db2.gz PAOHBGXBBJUZJQ-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CCC=CCC1 ZINC000635589956 345884009 /nfs/dbraw/zinc/88/40/09/345884009.db2.gz SHSSPPBUVAMMEK-UHFFFAOYSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CCC=CCC1 ZINC000635589956 345884010 /nfs/dbraw/zinc/88/40/10/345884010.db2.gz SHSSPPBUVAMMEK-UHFFFAOYSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@H]1OCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000635702095 345989605 /nfs/dbraw/zinc/98/96/05/345989605.db2.gz VKLNEMKMRIIASH-LNFKQOIKSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@H]1OCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000635702095 345989608 /nfs/dbraw/zinc/98/96/08/345989608.db2.gz VKLNEMKMRIIASH-LNFKQOIKSA-N 1 2 249.314 1.149 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC=C(F)C1 ZINC000635763342 346056785 /nfs/dbraw/zinc/05/67/85/346056785.db2.gz HJFDNQXGVOJAHL-NXEZZACHSA-N 1 2 235.262 1.599 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC=C(F)C1 ZINC000635763342 346056789 /nfs/dbraw/zinc/05/67/89/346056789.db2.gz HJFDNQXGVOJAHL-NXEZZACHSA-N 1 2 235.262 1.599 20 0 BDADLO CCCCc1cc(NCCC(=O)OC)nc[nH+]1 ZINC000601100526 346025159 /nfs/dbraw/zinc/02/51/59/346025159.db2.gz SSURTFNNLRTIRX-UHFFFAOYSA-N 1 2 237.303 1.216 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC(F)(F)C2)[nH+]1 ZINC000635770642 346060023 /nfs/dbraw/zinc/06/00/23/346060023.db2.gz BLEBSFCBZKCIQN-UHFFFAOYSA-N 1 2 243.257 1.382 20 0 BDADLO Cc1cc(N[C@H]2CCN(CC(F)F)C2)nc[nH+]1 ZINC000419025998 192095499 /nfs/dbraw/zinc/09/54/99/192095499.db2.gz SVTJGYCKBZLSKM-VIFPVBQESA-N 1 2 242.273 1.536 20 0 BDADLO COC1(CCOCc2[nH]cc[nH+]2)CCC1 ZINC000419030641 192095583 /nfs/dbraw/zinc/09/55/83/192095583.db2.gz UEDJUWJMMYRACX-UHFFFAOYSA-N 1 2 210.277 1.886 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635735549 346043989 /nfs/dbraw/zinc/04/39/89/346043989.db2.gz JUZIRFXAVSREIN-GHMZBOCLSA-N 1 2 231.299 1.692 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635735549 346043991 /nfs/dbraw/zinc/04/39/91/346043991.db2.gz JUZIRFXAVSREIN-GHMZBOCLSA-N 1 2 231.299 1.692 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC=C(C)CC2)[nH+]1 ZINC000635735609 346044052 /nfs/dbraw/zinc/04/40/52/346044052.db2.gz KIXBSYXCAWSUMF-UHFFFAOYSA-N 1 2 233.315 1.693 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCc2ccc[nH]2)[nH+]1 ZINC000635747286 346047205 /nfs/dbraw/zinc/04/72/05/346047205.db2.gz SFNLUDXECBQQES-UHFFFAOYSA-N 1 2 246.314 1.202 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)[C@H](C)[C@@H](C)O1 ZINC000438370471 537938807 /nfs/dbraw/zinc/93/88/07/537938807.db2.gz CKMQWXATYSCFIK-GMTAPVOTSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)[C@H](C)[C@@H](C)O1 ZINC000438370471 537938811 /nfs/dbraw/zinc/93/88/11/537938811.db2.gz CKMQWXATYSCFIK-GMTAPVOTSA-N 1 2 221.304 1.474 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000635823809 346078550 /nfs/dbraw/zinc/07/85/50/346078550.db2.gz VQBWYYCKQGOLAZ-JQWIXIFHSA-N 1 2 247.342 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cnns2)[nH+]1 ZINC000635827918 346084856 /nfs/dbraw/zinc/08/48/56/346084856.db2.gz BCBHJHMGOYRZLZ-UHFFFAOYSA-N 1 2 237.288 1.005 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635874771 346095523 /nfs/dbraw/zinc/09/55/23/346095523.db2.gz IRGPPCGMAFJNGR-UTINFBMNSA-N 1 2 219.288 1.523 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635874771 346095526 /nfs/dbraw/zinc/09/55/26/346095526.db2.gz IRGPPCGMAFJNGR-UTINFBMNSA-N 1 2 219.288 1.523 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC=C(C)C2)[nH+]1 ZINC000635890542 346102205 /nfs/dbraw/zinc/10/22/05/346102205.db2.gz YRUOBWOINMJAJL-UHFFFAOYSA-N 1 2 233.315 1.693 20 0 BDADLO O=C(NCC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635795301 346065517 /nfs/dbraw/zinc/06/55/17/346065517.db2.gz RTOJIWOQVDPWQR-GMTAPVOTSA-N 1 2 249.314 1.056 20 0 BDADLO O=C(NCC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635795301 346065518 /nfs/dbraw/zinc/06/55/18/346065518.db2.gz RTOJIWOQVDPWQR-GMTAPVOTSA-N 1 2 249.314 1.056 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCCOC1 ZINC000635917404 346109141 /nfs/dbraw/zinc/10/91/41/346109141.db2.gz ZMQRJLWVJWYADY-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000635917404 346109142 /nfs/dbraw/zinc/10/91/42/346109142.db2.gz ZMQRJLWVJWYADY-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CC(C)C[C@H](C(=O)N[C@H](C)CF)n1cc[nH+]c1 ZINC000635932517 346113161 /nfs/dbraw/zinc/11/31/61/346113161.db2.gz BGNUFMWSHNBBFM-GHMZBOCLSA-N 1 2 241.310 1.945 20 0 BDADLO CC(C)=C(C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000635944298 346118286 /nfs/dbraw/zinc/11/82/86/346118286.db2.gz GNYNDGWEGVDYLA-UHFFFAOYSA-N 1 2 233.315 1.972 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635957242 346132172 /nfs/dbraw/zinc/13/21/72/346132172.db2.gz HPGXUWYOPULTKX-IVZWLZJFSA-N 1 2 219.288 1.524 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635957242 346132175 /nfs/dbraw/zinc/13/21/75/346132175.db2.gz HPGXUWYOPULTKX-IVZWLZJFSA-N 1 2 219.288 1.524 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC[C@@H](F)C3)cc2[nH+]1 ZINC000635984078 346138209 /nfs/dbraw/zinc/13/82/09/346138209.db2.gz RYMGPHKTNSOXAZ-LLVKDONJSA-N 1 2 247.273 1.827 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CCC=CCC2)c1 ZINC000636014933 346156255 /nfs/dbraw/zinc/15/62/55/346156255.db2.gz HCVTUMZKLZTBSU-UHFFFAOYSA-N 1 2 247.342 1.825 20 0 BDADLO CC[C@@H](O)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000636022654 346160548 /nfs/dbraw/zinc/16/05/48/346160548.db2.gz VKINKFXWEBESBG-LLVKDONJSA-N 1 2 247.298 1.143 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H](O)[C@@H](C)C2)[nH+]c1C ZINC000628242188 346201750 /nfs/dbraw/zinc/20/17/50/346201750.db2.gz UZLUNDCZSWHCPA-GZMMTYOYSA-N 1 2 223.320 1.229 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628244497 346206715 /nfs/dbraw/zinc/20/67/15/346206715.db2.gz JLHFCMMZBIOSKO-JOYOIKCWSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H](C)O1 ZINC000628244497 346206717 /nfs/dbraw/zinc/20/67/17/346206717.db2.gz JLHFCMMZBIOSKO-JOYOIKCWSA-N 1 2 240.303 1.219 20 0 BDADLO CO[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[C@H]1C ZINC000628244736 346209383 /nfs/dbraw/zinc/20/93/83/346209383.db2.gz UDMNUIUBTAVNRA-SKDRFNHKSA-N 1 2 237.347 1.883 20 0 BDADLO CCN(Cc1[nH]cc(C)[nH+]1)CC(F)F ZINC000628238429 346195110 /nfs/dbraw/zinc/19/51/10/346195110.db2.gz YLPPFGZDHQIPOA-UHFFFAOYSA-N 1 2 203.236 1.805 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628264751 346265969 /nfs/dbraw/zinc/26/59/69/346265969.db2.gz AKZHWVGARNHFEC-GFCCVEGCSA-N 1 2 240.278 1.458 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628264751 346265972 /nfs/dbraw/zinc/26/59/72/346265972.db2.gz AKZHWVGARNHFEC-GFCCVEGCSA-N 1 2 240.278 1.458 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCOC2)[nH]c1C ZINC000628271534 346282264 /nfs/dbraw/zinc/28/22/64/346282264.db2.gz GDONAZHJTCWRTG-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCOC2)[nH]c1C ZINC000628271534 346282267 /nfs/dbraw/zinc/28/22/67/346282267.db2.gz GDONAZHJTCWRTG-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN(C)[C@@H]2CCCOC2)[nH+]c1C ZINC000628271534 346282269 /nfs/dbraw/zinc/28/22/69/346282269.db2.gz GDONAZHJTCWRTG-LLVKDONJSA-N 1 2 223.320 1.637 20 0 BDADLO COC1(C)C[NH+](Cc2oc(C)nc2C)C1 ZINC000628281100 346292798 /nfs/dbraw/zinc/29/27/98/346292798.db2.gz AKGXCLZHWFHZSA-UHFFFAOYSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc[nH]c1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000636051124 346299479 /nfs/dbraw/zinc/29/94/79/346299479.db2.gz RMIPLJUNDYQXPF-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636058141 346304342 /nfs/dbraw/zinc/30/43/42/346304342.db2.gz MFCKJXJTANYYHA-RCZSTQMZSA-N 1 2 231.299 1.428 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636058141 346304344 /nfs/dbraw/zinc/30/43/44/346304344.db2.gz MFCKJXJTANYYHA-RCZSTQMZSA-N 1 2 231.299 1.428 20 0 BDADLO C[C@H](C(=O)Nc1ccc2c(c1)CCC2=O)[NH+](C)C ZINC000636140581 346332361 /nfs/dbraw/zinc/33/23/61/346332361.db2.gz FQVRAPLVHWOHEG-SECBINFHSA-N 1 2 246.310 1.704 20 0 BDADLO Cc1cccc(C)c1OCC[N@@H+]1CCNC(=O)C1 ZINC000016388707 179046692 /nfs/dbraw/zinc/04/66/92/179046692.db2.gz LCFHBVIOXUERPV-UHFFFAOYSA-N 1 2 248.326 1.114 20 0 BDADLO Cc1cccc(C)c1OCC[N@H+]1CCNC(=O)C1 ZINC000016388707 179046695 /nfs/dbraw/zinc/04/66/95/179046695.db2.gz LCFHBVIOXUERPV-UHFFFAOYSA-N 1 2 248.326 1.114 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000636203103 346353557 /nfs/dbraw/zinc/35/35/57/346353557.db2.gz YLLJYAKPNDOZFN-MXWKQRLJSA-N 1 2 233.315 1.818 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000636203103 346353561 /nfs/dbraw/zinc/35/35/61/346353561.db2.gz YLLJYAKPNDOZFN-MXWKQRLJSA-N 1 2 233.315 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2CC(C)C2)[nH+]1 ZINC000636244023 346367184 /nfs/dbraw/zinc/36/71/84/346367184.db2.gz PSCNSIVKPDCYLK-UHFFFAOYSA-N 1 2 235.331 1.677 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccc(C)cn2)no1 ZINC000641766049 362698077 /nfs/dbraw/zinc/69/80/77/362698077.db2.gz FDXPDMNADIBXKR-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CCC[C@@H]1O ZINC000160246348 346358792 /nfs/dbraw/zinc/35/87/92/346358792.db2.gz JHMDBVHAUUMUPL-ZJUUUORDSA-N 1 2 222.288 1.663 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC3CC2(C)C3)[nH+]1 ZINC000636238953 346365320 /nfs/dbraw/zinc/36/53/20/346365320.db2.gz JGAHDFSCKAASFZ-UHFFFAOYSA-N 1 2 233.315 1.526 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2ccn(C)n2)n1 ZINC000336717997 179069642 /nfs/dbraw/zinc/06/96/42/179069642.db2.gz ZDHPTDYTDSKAKF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2ccn(C)n2)n1 ZINC000336717997 179069644 /nfs/dbraw/zinc/06/96/44/179069644.db2.gz ZDHPTDYTDSKAKF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1c(NCc2c[nH+]cn2C(C)C)nnn1C ZINC000641780990 362721784 /nfs/dbraw/zinc/72/17/84/362721784.db2.gz LQCVHRDMBJICEK-UHFFFAOYSA-N 1 2 234.307 1.513 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000574917428 346410897 /nfs/dbraw/zinc/41/08/97/346410897.db2.gz ALUUMILMCJKSPH-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000574917428 346410900 /nfs/dbraw/zinc/41/09/00/346410900.db2.gz ALUUMILMCJKSPH-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC[C@H]1C1CCC1 ZINC000574917428 346410904 /nfs/dbraw/zinc/41/09/04/346410904.db2.gz ALUUMILMCJKSPH-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1nncn1C(C)C ZINC000574926563 346415069 /nfs/dbraw/zinc/41/50/69/346415069.db2.gz HHBMQLYIKWPRPN-UHFFFAOYSA-N 1 2 246.318 1.300 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679218302 488318204 /nfs/dbraw/zinc/31/82/04/488318204.db2.gz CYENMTIJXUDASV-SRVKXCTJSA-N 1 2 244.354 1.971 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679218302 488318206 /nfs/dbraw/zinc/31/82/06/488318206.db2.gz CYENMTIJXUDASV-SRVKXCTJSA-N 1 2 244.354 1.971 20 0 BDADLO FC(F)CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000603411173 349959831 /nfs/dbraw/zinc/95/98/31/349959831.db2.gz NEFWFEHJSORNIS-SECBINFHSA-N 1 2 215.247 1.785 20 0 BDADLO C[C@@H](N[C@@H]1CCCn2cc[nH+]c21)C(F)F ZINC000641791868 362732554 /nfs/dbraw/zinc/73/25/54/362732554.db2.gz OJNILZPQULIYPC-HTQZYQBOSA-N 1 2 215.247 1.961 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2OC3CCC2CC3)C1 ZINC000636404431 346477417 /nfs/dbraw/zinc/47/74/17/346477417.db2.gz LIVFMUAXKCEHFM-UHFFFAOYSA-N 1 2 238.331 1.413 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)Cn1cccn1 ZINC000580605856 365819211 /nfs/dbraw/zinc/81/92/11/365819211.db2.gz YLUZDLPPLSEAJI-SNVBAGLBSA-N 1 2 231.303 1.212 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC2CCC1CC2 ZINC000380191098 346515446 /nfs/dbraw/zinc/51/54/46/346515446.db2.gz ZNOZOIAVJZVJDD-VQXHTEKXSA-N 1 2 233.315 1.852 20 0 BDADLO C[C@H]1C[N@H+](CCOCC2CCC2)CC[S@]1=O ZINC000419207545 192103367 /nfs/dbraw/zinc/10/33/67/192103367.db2.gz PDINLHOYDAGVOE-MEDUHNTESA-N 1 2 245.388 1.256 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC2CCC2)CC[S@]1=O ZINC000419207545 192103369 /nfs/dbraw/zinc/10/33/69/192103369.db2.gz PDINLHOYDAGVOE-MEDUHNTESA-N 1 2 245.388 1.256 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC=CCC1 ZINC000636805588 349971139 /nfs/dbraw/zinc/97/11/39/349971139.db2.gz GOIWHUFYABFGCS-GHMZBOCLSA-N 1 2 246.314 1.216 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679223994 488321416 /nfs/dbraw/zinc/32/14/16/488321416.db2.gz RRLOQNOVOYELKA-FIQHERPVSA-N 1 2 244.354 1.970 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679223994 488321418 /nfs/dbraw/zinc/32/14/18/488321418.db2.gz RRLOQNOVOYELKA-FIQHERPVSA-N 1 2 244.354 1.970 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncnn2C(C)C)ccn1 ZINC000391220469 346499624 /nfs/dbraw/zinc/49/96/24/346499624.db2.gz YPUGNQGKOFEVJT-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226422 488322499 /nfs/dbraw/zinc/32/24/99/488322499.db2.gz SAWVUTGPSFNZCL-GARJFASQSA-N 1 2 230.327 1.581 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226422 488322500 /nfs/dbraw/zinc/32/25/00/488322500.db2.gz SAWVUTGPSFNZCL-GARJFASQSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000186762187 346534348 /nfs/dbraw/zinc/53/43/48/346534348.db2.gz RBROUWYWEVDOFQ-JQWIXIFHSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC000186756747 346534543 /nfs/dbraw/zinc/53/45/43/346534543.db2.gz UFDDFQOIEDZKRE-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO CCc1ccc(C[NH+]2CCN(C(C)=O)CC2)cn1 ZINC000203713511 346542456 /nfs/dbraw/zinc/54/24/56/346542456.db2.gz SLFWKIVDSCQNAQ-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO CSC1(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC000589174729 346673771 /nfs/dbraw/zinc/67/37/71/346673771.db2.gz DAUDLHOWACQXRC-QMMMGPOBSA-N 1 2 237.315 1.584 20 0 BDADLO CSC1(C[N@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC000589174729 346673774 /nfs/dbraw/zinc/67/37/74/346673774.db2.gz DAUDLHOWACQXRC-QMMMGPOBSA-N 1 2 237.315 1.584 20 0 BDADLO CC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(F)F ZINC000580197775 346654709 /nfs/dbraw/zinc/65/47/09/346654709.db2.gz GHNMVEZUOCFYAN-IUCAKERBSA-N 1 2 245.273 1.994 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1n[nH]c2ccccc12 ZINC000589635493 346719964 /nfs/dbraw/zinc/71/99/64/346719964.db2.gz RZKCNEYKCOZVMW-SECBINFHSA-N 1 2 246.314 1.177 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2ccccn2)CCO1 ZINC000626174450 346758742 /nfs/dbraw/zinc/75/87/42/346758742.db2.gz RIDXCSVOHKJUMY-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2ccccn2)CCO1 ZINC000626174450 346758746 /nfs/dbraw/zinc/75/87/46/346758746.db2.gz RIDXCSVOHKJUMY-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987927 346761211 /nfs/dbraw/zinc/76/12/11/346761211.db2.gz LYTOARPLICAOER-CABZTGNLSA-N 1 2 232.283 1.327 20 0 BDADLO O=C(C1CCCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589988603 346762070 /nfs/dbraw/zinc/76/20/70/346762070.db2.gz RRMPBKMMMHZYLX-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)no1 ZINC000580657076 365853009 /nfs/dbraw/zinc/85/30/09/365853009.db2.gz IRFYQGMWLFVGDI-ZQARSLAVSA-N 1 2 225.292 1.188 20 0 BDADLO CC1(C)C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000387849276 347109562 /nfs/dbraw/zinc/10/95/62/347109562.db2.gz IJHLMCDMGDMGON-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO CC1(C)C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1O ZINC000387849276 347109566 /nfs/dbraw/zinc/10/95/66/347109566.db2.gz IJHLMCDMGDMGON-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)no1 ZINC000309724764 347148749 /nfs/dbraw/zinc/14/87/49/347148749.db2.gz CTXUDAWGVVADAN-BDAKNGLRSA-N 1 2 246.332 1.067 20 0 BDADLO Cc1nc(N2CCO[C@H](C(F)F)CC2)cc[nH+]1 ZINC000631498979 347184790 /nfs/dbraw/zinc/18/47/90/347184790.db2.gz RITVWFWYZLEDFL-VIFPVBQESA-N 1 2 243.257 1.645 20 0 BDADLO Cc1cccc([C@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000235515732 179197001 /nfs/dbraw/zinc/19/70/01/179197001.db2.gz QEUXTXDKDPUTNJ-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000186748783 347240488 /nfs/dbraw/zinc/24/04/88/347240488.db2.gz JGYMQGLQHSZARK-UHFFFAOYSA-N 1 2 229.283 1.910 20 0 BDADLO CCN1CCC[N@@H+]([C@@H](C)c2cnccn2)CC1=O ZINC000190233992 347324301 /nfs/dbraw/zinc/32/43/01/347324301.db2.gz HNZSNHJEXQSSJP-NSHDSACASA-N 1 2 248.330 1.092 20 0 BDADLO CCN1CCC[N@H+]([C@@H](C)c2cnccn2)CC1=O ZINC000190233992 347324303 /nfs/dbraw/zinc/32/43/03/347324303.db2.gz HNZSNHJEXQSSJP-NSHDSACASA-N 1 2 248.330 1.092 20 0 BDADLO C[C@@H]1CSCC[N@H+](Cc2csnn2)C1 ZINC000190849645 347336553 /nfs/dbraw/zinc/33/65/53/347336553.db2.gz VOLIGVUSWRSKCE-QMMMGPOBSA-N 1 2 229.374 1.723 20 0 BDADLO C[C@@H]1CSCC[N@@H+](Cc2csnn2)C1 ZINC000190849645 347336558 /nfs/dbraw/zinc/33/65/58/347336558.db2.gz VOLIGVUSWRSKCE-QMMMGPOBSA-N 1 2 229.374 1.723 20 0 BDADLO Cc1[nH]c(C(=O)NC(C)(C)C(F)(F)F)c[nH+]1 ZINC000616204581 347358934 /nfs/dbraw/zinc/35/89/34/347358934.db2.gz ZJYVZWUHVAEBDS-UHFFFAOYSA-N 1 2 235.209 1.789 20 0 BDADLO CCOC[C@H]([NH2+][C@@H](C(=O)OC)C(C)C)C(C)C ZINC000189815020 347310869 /nfs/dbraw/zinc/31/08/69/347310869.db2.gz MZKHBUWMIYOJIF-NWDGAFQWSA-N 1 2 245.363 1.835 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC(C)(C)F ZINC000618411666 347414934 /nfs/dbraw/zinc/41/49/34/347414934.db2.gz JQOXXTQEXULBCH-UHFFFAOYSA-N 1 2 227.283 1.515 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCC(C)(C)F ZINC000618411666 347414938 /nfs/dbraw/zinc/41/49/38/347414938.db2.gz JQOXXTQEXULBCH-UHFFFAOYSA-N 1 2 227.283 1.515 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](C)c1nccs1)C(=O)OC ZINC000192864133 347386249 /nfs/dbraw/zinc/38/62/49/347386249.db2.gz YGUJPAYIXAXJNG-DTWKUNHWSA-N 1 2 242.344 1.788 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921039 347450246 /nfs/dbraw/zinc/45/02/46/347450246.db2.gz CLYWWGSUAORGQS-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921039 347450248 /nfs/dbraw/zinc/45/02/48/347450248.db2.gz CLYWWGSUAORGQS-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922742 347453318 /nfs/dbraw/zinc/45/33/18/347453318.db2.gz HNFDSJXJCKDGIF-UHFFFAOYSA-N 1 2 247.302 1.032 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922742 347453319 /nfs/dbraw/zinc/45/33/19/347453319.db2.gz HNFDSJXJCKDGIF-UHFFFAOYSA-N 1 2 247.302 1.032 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC(C)(C)C ZINC000616923775 347454826 /nfs/dbraw/zinc/45/48/26/347454826.db2.gz UDTZHXKFGOPQNM-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC(C)(C)C ZINC000616923775 347454828 /nfs/dbraw/zinc/45/48/28/347454828.db2.gz UDTZHXKFGOPQNM-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO Cc1csc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000396846525 362837078 /nfs/dbraw/zinc/83/70/78/362837078.db2.gz HCIJOQPYOGYCMK-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO Cc1ncc(C(=O)N(C)Cc2c[nH+]c[nH]2)s1 ZINC000616924408 347455133 /nfs/dbraw/zinc/45/51/33/347455133.db2.gz IMTSWDFCKVORHY-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO Cc1ncc(C(=O)N(C)Cc2c[nH]c[nH+]2)s1 ZINC000616924408 347455135 /nfs/dbraw/zinc/45/51/35/347455135.db2.gz IMTSWDFCKVORHY-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO Cc1csc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000396846525 362837083 /nfs/dbraw/zinc/83/70/83/362837083.db2.gz HCIJOQPYOGYCMK-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364433498 347422873 /nfs/dbraw/zinc/42/28/73/347422873.db2.gz HZLKXFMXCSDGSZ-NSHDSACASA-N 1 2 235.331 1.560 20 0 BDADLO CO[C@@](C)(C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616928687 347494614 /nfs/dbraw/zinc/49/46/14/347494614.db2.gz JCQBPWIEWDDCLP-GFCCVEGCSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@@](C)(C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616928687 347494615 /nfs/dbraw/zinc/49/46/15/347494615.db2.gz JCQBPWIEWDDCLP-GFCCVEGCSA-N 1 2 237.303 1.183 20 0 BDADLO CCCc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000616928722 347494957 /nfs/dbraw/zinc/49/49/57/347494957.db2.gz JUZYIHVZHOXSKV-UHFFFAOYSA-N 1 2 248.286 1.622 20 0 BDADLO CCCc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000616928722 347494961 /nfs/dbraw/zinc/49/49/61/347494961.db2.gz JUZYIHVZHOXSKV-UHFFFAOYSA-N 1 2 248.286 1.622 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928590 347495285 /nfs/dbraw/zinc/49/52/85/347495285.db2.gz FZNPKKRJENSSSL-UWVGGRQHSA-N 1 2 239.319 1.287 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928590 347495287 /nfs/dbraw/zinc/49/52/87/347495287.db2.gz FZNPKKRJENSSSL-UWVGGRQHSA-N 1 2 239.319 1.287 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1occ2c1CCC2 ZINC000616928764 347495551 /nfs/dbraw/zinc/49/55/51/347495551.db2.gz LILXXJWFGJOMAY-UHFFFAOYSA-N 1 2 245.282 1.764 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1occ2c1CCC2 ZINC000616928764 347495555 /nfs/dbraw/zinc/49/55/55/347495555.db2.gz LILXXJWFGJOMAY-UHFFFAOYSA-N 1 2 245.282 1.764 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928799 347495989 /nfs/dbraw/zinc/49/59/89/347495989.db2.gz MTBRTUMDLHTHHT-MWLCHTKSSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928799 347495991 /nfs/dbraw/zinc/49/59/91/347495991.db2.gz MTBRTUMDLHTHHT-MWLCHTKSSA-N 1 2 239.319 1.429 20 0 BDADLO CCc1nc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)o1 ZINC000616929124 347496608 /nfs/dbraw/zinc/49/66/08/347496608.db2.gz UTUOPPXZFCDBBO-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CCc1nc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)o1 ZINC000616929124 347496610 /nfs/dbraw/zinc/49/66/10/347496610.db2.gz UTUOPPXZFCDBBO-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO O=C(CC1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590731067 347497331 /nfs/dbraw/zinc/49/73/31/347497331.db2.gz VZRICPWICGOAHT-LBPRGKRZSA-N 1 2 233.315 1.847 20 0 BDADLO CCc1cnccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926508 347457951 /nfs/dbraw/zinc/45/79/51/347457951.db2.gz FQENFOVVCZHCQS-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CCc1cnccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926508 347457953 /nfs/dbraw/zinc/45/79/53/347457953.db2.gz FQENFOVVCZHCQS-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO Cc1sccc1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927115 347459244 /nfs/dbraw/zinc/45/92/44/347459244.db2.gz AEJFJCSINCCMKY-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO Cc1sccc1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927115 347459248 /nfs/dbraw/zinc/45/92/48/347459248.db2.gz AEJFJCSINCCMKY-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO CCc1ccnc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616926773 347459826 /nfs/dbraw/zinc/45/98/26/347459826.db2.gz PHWMGZJLAGWMFP-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CCc1ccnc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616926773 347459830 /nfs/dbraw/zinc/45/98/30/347459830.db2.gz PHWMGZJLAGWMFP-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@](C)=O)co1 ZINC000590605726 347477240 /nfs/dbraw/zinc/47/72/40/347477240.db2.gz MNEUZAACOVICJF-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@](C)=O)co1 ZINC000590605726 347477241 /nfs/dbraw/zinc/47/72/41/347477241.db2.gz MNEUZAACOVICJF-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)OC(C)(C)C ZINC000577223360 365889519 /nfs/dbraw/zinc/88/95/19/365889519.db2.gz ANYXLEBVHCFCDD-WDEREUQCSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCCOC1)n1cc[nH+]c1 ZINC000577223447 365889800 /nfs/dbraw/zinc/88/98/00/365889800.db2.gz DAOBWCKBDZLPAI-MNOVXSKESA-N 1 2 237.303 1.129 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1[C@H](C)C[C@@H]1C ZINC000334520071 133679827 /nfs/dbraw/zinc/67/98/27/133679827.db2.gz VPNXDRXBXNAUJJ-AOOOYVTPSA-N 1 2 236.319 1.595 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N1CC=CC1 ZINC000636621749 347576241 /nfs/dbraw/zinc/57/62/41/347576241.db2.gz ZIGGKMJZKAIJIF-UHFFFAOYSA-N 1 2 234.303 1.245 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccc[nH]c1=O ZINC000591166556 347627948 /nfs/dbraw/zinc/62/79/48/347627948.db2.gz LPPMJCQJDFFEFS-UHFFFAOYSA-N 1 2 246.270 1.403 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000591363805 347654202 /nfs/dbraw/zinc/65/42/02/347654202.db2.gz SBNFJQKSQWPLMU-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1ccccc1C[N@@H+](C)[C@H](C)c1nnnn1C ZINC000276429362 179269556 /nfs/dbraw/zinc/26/95/56/179269556.db2.gz YKEZIKSBHDRERJ-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccccc1C[N@H+](C)[C@H](C)c1nnnn1C ZINC000276429362 179269559 /nfs/dbraw/zinc/26/95/59/179269559.db2.gz YKEZIKSBHDRERJ-LLVKDONJSA-N 1 2 245.330 1.712 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000577254402 365902122 /nfs/dbraw/zinc/90/21/22/365902122.db2.gz GFMSJUGHWJQIEK-UHFFFAOYSA-N 1 2 233.315 1.530 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592377421 347771594 /nfs/dbraw/zinc/77/15/94/347771594.db2.gz WCBQUWBMNHCPEP-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO CCc1noc(C[N@H+](CC)CCSC)n1 ZINC000592199562 347752106 /nfs/dbraw/zinc/75/21/06/347752106.db2.gz RIKFJJJOCKLXHT-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1noc(C[N@@H+](CC)CCSC)n1 ZINC000592199562 347752108 /nfs/dbraw/zinc/75/21/08/347752108.db2.gz RIKFJJJOCKLXHT-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CC[N@H+](CCSC)Cc1nc(N(C)C)no1 ZINC000592203788 347755565 /nfs/dbraw/zinc/75/55/65/347755565.db2.gz PAFDRKIFMOLFIA-UHFFFAOYSA-N 1 2 244.364 1.321 20 0 BDADLO CC[N@@H+](CCSC)Cc1nc(N(C)C)no1 ZINC000592203788 347755567 /nfs/dbraw/zinc/75/55/67/347755567.db2.gz PAFDRKIFMOLFIA-UHFFFAOYSA-N 1 2 244.364 1.321 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+]C1CSC1 ZINC000592524792 347794720 /nfs/dbraw/zinc/79/47/20/347794720.db2.gz DBBAGPQDSAQPEY-VIFPVBQESA-N 1 2 231.361 1.669 20 0 BDADLO CSCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593012040 347841571 /nfs/dbraw/zinc/84/15/71/347841571.db2.gz PGXJQVHDHGWICN-SECBINFHSA-N 1 2 227.333 1.313 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000593052556 347853063 /nfs/dbraw/zinc/85/30/63/347853063.db2.gz JFUJGBQKWSMGAJ-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CSC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000593052556 347853065 /nfs/dbraw/zinc/85/30/65/347853065.db2.gz JFUJGBQKWSMGAJ-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO Cc1csc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593097174 347854292 /nfs/dbraw/zinc/85/42/92/347854292.db2.gz KHBHCOWOJZOJLU-KOSWAMCASA-N 1 2 242.369 1.157 20 0 BDADLO Cc1csc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593097174 347854295 /nfs/dbraw/zinc/85/42/95/347854295.db2.gz KHBHCOWOJZOJLU-KOSWAMCASA-N 1 2 242.369 1.157 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(F)F ZINC000308585174 347883235 /nfs/dbraw/zinc/88/32/35/347883235.db2.gz IAPAAWAGPLUFBE-RNFRBKRXSA-N 1 2 209.236 1.429 20 0 BDADLO CSCC1(CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000593479845 347896524 /nfs/dbraw/zinc/89/65/24/347896524.db2.gz JYWCSHRRAXEPRH-UHFFFAOYSA-N 1 2 239.344 1.559 20 0 BDADLO CSCC1(CC(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000593479845 347896528 /nfs/dbraw/zinc/89/65/28/347896528.db2.gz JYWCSHRRAXEPRH-UHFFFAOYSA-N 1 2 239.344 1.559 20 0 BDADLO CCc1cnc(C[NH2+][C@H](C)c2cn[nH]c2)o1 ZINC000303743420 323169346 /nfs/dbraw/zinc/16/93/46/323169346.db2.gz ZDXADZSLOWCCQQ-MRVPVSSYSA-N 1 2 220.276 1.811 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@]1(C)CCCC[C@@H]1O ZINC000577389329 365943090 /nfs/dbraw/zinc/94/30/90/365943090.db2.gz ZGOGJEIQRORAHN-JSGCOSHPSA-N 1 2 249.358 1.868 20 0 BDADLO Cc1ccnc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000577381250 365939425 /nfs/dbraw/zinc/93/94/25/365939425.db2.gz SUQGVODHXNDJKC-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCO)C1CCCCCC1 ZINC000594046217 347988011 /nfs/dbraw/zinc/98/80/11/347988011.db2.gz FYHKKEUWVMHCQY-GFCCVEGCSA-N 1 2 243.347 1.470 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000333533497 537996667 /nfs/dbraw/zinc/99/66/67/537996667.db2.gz YNQRHERQCIVWMK-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000333533497 537996677 /nfs/dbraw/zinc/99/66/77/537996677.db2.gz YNQRHERQCIVWMK-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC[C@H](C)SC1)C(=O)OC ZINC000594615887 348084017 /nfs/dbraw/zinc/08/40/17/348084017.db2.gz XBBYOANDCIDMFP-GUBZILKMSA-N 1 2 247.360 1.048 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)Nc1ccc[nH+]c1C ZINC000594961423 348151457 /nfs/dbraw/zinc/15/14/57/348151457.db2.gz ZOZWJNBCQYUESS-DVVUODLYSA-N 1 2 234.299 2.000 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000070909017 179373295 /nfs/dbraw/zinc/37/32/95/179373295.db2.gz CHTLFRNRAOXKGS-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000070909017 179373296 /nfs/dbraw/zinc/37/32/96/179373296.db2.gz CHTLFRNRAOXKGS-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO CCCC[C@@H](C(=O)OC)N(C)Cc1[nH]cc[nH+]1 ZINC000595400501 348238393 /nfs/dbraw/zinc/23/83/93/348238393.db2.gz HDEKMKWAZUWDQJ-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO CCC(CC)C[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000595406699 348240693 /nfs/dbraw/zinc/24/06/93/348240693.db2.gz FNHUSUYRXUREKF-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO CCC(CC)C[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000595406698 348240834 /nfs/dbraw/zinc/24/08/34/348240834.db2.gz FNHUSUYRXUREKF-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1cccnc1C[NH+]1CCN(C)CC1 ZINC000093158577 179374979 /nfs/dbraw/zinc/37/49/79/179374979.db2.gz IRLJCOHPUISNDQ-UHFFFAOYSA-N 1 2 205.305 1.137 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000364338988 179377197 /nfs/dbraw/zinc/37/71/97/179377197.db2.gz BZZHEDLLMLZVAY-WCQYABFASA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000364338988 179377199 /nfs/dbraw/zinc/37/71/99/179377199.db2.gz BZZHEDLLMLZVAY-WCQYABFASA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C[N@H+](CCO[C@@H]1CC1(F)F)C1CC1 ZINC000595341493 348233371 /nfs/dbraw/zinc/23/33/71/348233371.db2.gz AUBVEGSJSHVGFF-SECBINFHSA-N 1 2 249.257 1.048 20 0 BDADLO COC(=O)C[N@@H+](CCO[C@@H]1CC1(F)F)C1CC1 ZINC000595341493 348233372 /nfs/dbraw/zinc/23/33/72/348233372.db2.gz AUBVEGSJSHVGFF-SECBINFHSA-N 1 2 249.257 1.048 20 0 BDADLO CCC(C)(C)CC[NH2+][C@](C)(CO)C(=O)OC ZINC000595527821 348271976 /nfs/dbraw/zinc/27/19/76/348271976.db2.gz RQZMVTSUKCXQJA-GFCCVEGCSA-N 1 2 231.336 1.326 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000595531732 348273808 /nfs/dbraw/zinc/27/38/08/348273808.db2.gz KBSQURUWQFQMSW-GVXVVHGQSA-N 1 2 243.347 1.326 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616307 348289061 /nfs/dbraw/zinc/28/90/61/348289061.db2.gz ANYWFTBXEJKFJJ-GXFFZTMASA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616307 348289064 /nfs/dbraw/zinc/28/90/64/348289064.db2.gz ANYWFTBXEJKFJJ-GXFFZTMASA-N 1 2 241.331 1.439 20 0 BDADLO CSCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000595665317 348302128 /nfs/dbraw/zinc/30/21/28/348302128.db2.gz SFTMATGOCKNZPL-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CSCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000595665317 348302131 /nfs/dbraw/zinc/30/21/31/348302131.db2.gz SFTMATGOCKNZPL-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1ccccn1 ZINC000595678002 348310595 /nfs/dbraw/zinc/31/05/95/348310595.db2.gz NTWIDPCOZOTMKG-UHFFFAOYSA-N 1 2 246.310 1.262 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCc1ccccn1 ZINC000595678002 348310599 /nfs/dbraw/zinc/31/05/99/348310599.db2.gz NTWIDPCOZOTMKG-UHFFFAOYSA-N 1 2 246.310 1.262 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCC(C)(C)OC ZINC000595773924 348337814 /nfs/dbraw/zinc/33/78/14/348337814.db2.gz GYFQFCGBYSLJKC-LBPRGKRZSA-N 1 2 249.326 1.682 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC[C@H]1CCCO1 ZINC000595775074 348338169 /nfs/dbraw/zinc/33/81/69/348338169.db2.gz LNTJCIDPGRQHQL-ZYHUDNBSSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H]1CCCO1 ZINC000595777249 348338581 /nfs/dbraw/zinc/33/85/81/348338581.db2.gz ZXZMXIJLETWMLD-MWLCHTKSSA-N 1 2 233.283 1.046 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CCCO1 ZINC000595777250 348338596 /nfs/dbraw/zinc/33/85/96/348338596.db2.gz ZXZMXIJLETWMLD-ONGXEEELSA-N 1 2 233.283 1.046 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000596045586 348428581 /nfs/dbraw/zinc/42/85/81/348428581.db2.gz KHRKMWCIQGTOST-YUMQZZPRSA-N 1 2 235.274 1.819 20 0 BDADLO CC[C@H]([NH2+]C[C@H](OC)C1CCCC1)C(=O)OC ZINC000596049390 348428687 /nfs/dbraw/zinc/42/86/87/348428687.db2.gz ZMXFKHILQSMJFT-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000354643511 179482215 /nfs/dbraw/zinc/48/22/15/179482215.db2.gz ZIHZGASRTGDDOM-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccncc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000354643511 179482219 /nfs/dbraw/zinc/48/22/19/179482219.db2.gz ZIHZGASRTGDDOM-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccsc1C(=O)NCc1[nH+]ccn1C ZINC000264309986 179538395 /nfs/dbraw/zinc/53/83/95/179538395.db2.gz NJSLWHMVFBUHFK-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC3CC2(C)C3)c1 ZINC000596574224 348591920 /nfs/dbraw/zinc/59/19/20/348591920.db2.gz GBWXZBKKZJWEBP-UHFFFAOYSA-N 1 2 246.310 1.786 20 0 BDADLO CSC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC000597186061 348683945 /nfs/dbraw/zinc/68/39/45/348683945.db2.gz AVWRJZDJMYXQMH-QMMMGPOBSA-N 1 2 237.315 1.584 20 0 BDADLO CSC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC000597186061 348683948 /nfs/dbraw/zinc/68/39/48/348683948.db2.gz AVWRJZDJMYXQMH-QMMMGPOBSA-N 1 2 237.315 1.584 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccoc1 ZINC000618474292 348825851 /nfs/dbraw/zinc/82/58/51/348825851.db2.gz UKLRPNWBOLVGCP-JTQLQIEISA-N 1 2 247.298 1.540 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccoc1 ZINC000618474292 348825855 /nfs/dbraw/zinc/82/58/55/348825855.db2.gz UKLRPNWBOLVGCP-JTQLQIEISA-N 1 2 247.298 1.540 20 0 BDADLO CC[C@@H](SC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597864566 348836656 /nfs/dbraw/zinc/83/66/56/348836656.db2.gz QGEDMUWLVAQELN-SECBINFHSA-N 1 2 227.333 1.510 20 0 BDADLO CC[C@@H](SC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597864566 348836661 /nfs/dbraw/zinc/83/66/61/348836661.db2.gz QGEDMUWLVAQELN-SECBINFHSA-N 1 2 227.333 1.510 20 0 BDADLO CCCc1nnnn1Cc1cn2ccccc2[nH+]1 ZINC000597954184 348848802 /nfs/dbraw/zinc/84/88/02/348848802.db2.gz HXTCJQPNJSULPG-UHFFFAOYSA-N 1 2 242.286 1.322 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459182 348976803 /nfs/dbraw/zinc/97/68/03/348976803.db2.gz DSCRURAQOLFEHJ-YUMQZZPRSA-N 1 2 227.333 1.349 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccnc(C)c1 ZINC000598611296 348999611 /nfs/dbraw/zinc/99/96/11/348999611.db2.gz LMHOJPNRDSTJOR-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccnc(C)c1 ZINC000598611296 348999613 /nfs/dbraw/zinc/99/96/13/348999613.db2.gz LMHOJPNRDSTJOR-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO Cc1ccoc1CNC(=O)NCc1[nH+]ccn1C ZINC000291768283 538020635 /nfs/dbraw/zinc/02/06/35/538020635.db2.gz HEVKZBUAYRBKOJ-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(=O)OCC ZINC000401986029 349038900 /nfs/dbraw/zinc/03/89/00/349038900.db2.gz BTDIQBYLZVYHGO-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)SCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943306 349062771 /nfs/dbraw/zinc/06/27/71/349062771.db2.gz GSCOTIVZZQSUJH-SECBINFHSA-N 1 2 239.344 1.066 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCCC[N@H+]2C)s1 ZINC000599296763 349150174 /nfs/dbraw/zinc/15/01/74/349150174.db2.gz JJAAREFFHIRYBX-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC000599296763 349150178 /nfs/dbraw/zinc/15/01/78/349150178.db2.gz JJAAREFFHIRYBX-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1cccn2cc(CNC(=O)[C@H]3C[C@@H]3C)[nH+]c12 ZINC000599255135 349131160 /nfs/dbraw/zinc/13/11/60/349131160.db2.gz UYHSKXLTBYOWLI-JQWIXIFHSA-N 1 2 243.310 1.915 20 0 BDADLO CCO[C@@H](C[NH2+]C(C)(C)C(=O)OC)C1CC1 ZINC000599281526 349139617 /nfs/dbraw/zinc/13/96/17/349139617.db2.gz VPBUWVOSTONTKF-JTQLQIEISA-N 1 2 229.320 1.343 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1ccccc1F ZINC000335720905 538032750 /nfs/dbraw/zinc/03/27/50/538032750.db2.gz OLCFERQOXQMVFO-UHFFFAOYSA-N 1 2 248.261 1.881 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@H](C)O)CCCC(C)(C)C1 ZINC000599557131 349216880 /nfs/dbraw/zinc/21/68/80/349216880.db2.gz YCWUQPZJHCWSKT-GXFFZTMASA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599623371 349230294 /nfs/dbraw/zinc/23/02/94/349230294.db2.gz OZYXRXODHWUVKH-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO COC(=O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599623371 349230295 /nfs/dbraw/zinc/23/02/95/349230295.db2.gz OZYXRXODHWUVKH-ZETCQYMHSA-N 1 2 207.220 1.279 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)OC ZINC000599625618 349230872 /nfs/dbraw/zinc/23/08/72/349230872.db2.gz NUSSMMXDQSOUKM-NMUGVGKYSA-N 1 2 229.320 1.340 20 0 BDADLO C[C@H](O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599652497 349234175 /nfs/dbraw/zinc/23/41/75/349234175.db2.gz NKLNATWXZLYURC-VIFPVBQESA-N 1 2 231.336 1.467 20 0 BDADLO COc1cccnc1C[NH2+]Cc1cnc(C)o1 ZINC000628302428 349203493 /nfs/dbraw/zinc/20/34/93/349203493.db2.gz BTZDPLYSMIPDRQ-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c[nH+]1 ZINC000274303060 179888458 /nfs/dbraw/zinc/88/84/58/179888458.db2.gz STUGVRHMGLQAED-PWSUYJOCSA-N 1 2 249.314 1.406 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCC(C)(F)F)C1CC1 ZINC000580695650 365959211 /nfs/dbraw/zinc/95/92/11/365959211.db2.gz IHRSJJOOWJELHA-NSHDSACASA-N 1 2 235.274 1.963 20 0 BDADLO CC(=O)Nc1ccc(OC(=O)C[NH+](C)C)cc1 ZINC000072104856 191004354 /nfs/dbraw/zinc/00/43/54/191004354.db2.gz LJBNLBQSTGEMGD-UHFFFAOYSA-N 1 2 236.271 1.112 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCn1cc(C)cn1 ZINC000303029970 350103789 /nfs/dbraw/zinc/10/37/89/350103789.db2.gz YABPYKCJWGWIEH-UHFFFAOYSA-N 1 2 239.319 1.077 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCn1cc(C)cn1 ZINC000303029970 350103792 /nfs/dbraw/zinc/10/37/92/350103792.db2.gz YABPYKCJWGWIEH-UHFFFAOYSA-N 1 2 239.319 1.077 20 0 BDADLO Cc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC000003610554 180001484 /nfs/dbraw/zinc/00/14/84/180001484.db2.gz GAYKOHMRQPHIBO-UHFFFAOYSA-N 1 2 233.319 1.380 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2[C@@H]3COC[C@@H]32)[nH+]1 ZINC000330128828 180024202 /nfs/dbraw/zinc/02/42/02/180024202.db2.gz DPLMCZAHFAOCNW-MYJAWHEDSA-N 1 2 230.271 1.323 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@@H]2C)[nH+]1 ZINC000309810767 180025371 /nfs/dbraw/zinc/02/53/71/180025371.db2.gz UBSKRAITCLKPQL-CBAPKCEASA-N 1 2 221.308 1.456 20 0 BDADLO Cc1nc(N[C@H]2CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000309810767 180025374 /nfs/dbraw/zinc/02/53/74/180025374.db2.gz UBSKRAITCLKPQL-CBAPKCEASA-N 1 2 221.308 1.456 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1nccs1 ZINC000302907244 350098298 /nfs/dbraw/zinc/09/82/98/350098298.db2.gz HFXYTLALWGAXJY-RKDXNWHRSA-N 1 2 241.360 1.536 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](O)CC2)no1 ZINC000331700189 180034575 /nfs/dbraw/zinc/03/45/75/180034575.db2.gz ZGOGPRWAWBXSSJ-PSASIEDQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](O)CC2)no1 ZINC000331700189 180034576 /nfs/dbraw/zinc/03/45/76/180034576.db2.gz ZGOGPRWAWBXSSJ-PSASIEDQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCCC[C@H](CO)C2)no1 ZINC000368124369 180036060 /nfs/dbraw/zinc/03/60/60/180036060.db2.gz QWVYSPOYONGRPM-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCCC[C@H](CO)C2)no1 ZINC000368124369 180036062 /nfs/dbraw/zinc/03/60/62/180036062.db2.gz QWVYSPOYONGRPM-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](O)CC2)no1 ZINC000331700201 180046601 /nfs/dbraw/zinc/04/66/01/180046601.db2.gz ZGOGPRWAWBXSSJ-WCBMZHEXSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](O)CC2)no1 ZINC000331700201 180046604 /nfs/dbraw/zinc/04/66/04/180046604.db2.gz ZGOGPRWAWBXSSJ-WCBMZHEXSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2CCCO)no1 ZINC000370746109 180053892 /nfs/dbraw/zinc/05/38/92/180053892.db2.gz YKUYVOFIFXTONT-SNVBAGLBSA-N 1 2 225.292 1.287 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2CCCO)no1 ZINC000370746109 180053894 /nfs/dbraw/zinc/05/38/94/180053894.db2.gz YKUYVOFIFXTONT-SNVBAGLBSA-N 1 2 225.292 1.287 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](C)O)no1 ZINC000369388681 180054383 /nfs/dbraw/zinc/05/43/83/180054383.db2.gz HGWQPGWHRGZMPV-PSASIEDQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](C)O)no1 ZINC000369388681 180054385 /nfs/dbraw/zinc/05/43/85/180054385.db2.gz HGWQPGWHRGZMPV-PSASIEDQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccno3)C2)n[nH]1 ZINC000268445434 180054469 /nfs/dbraw/zinc/05/44/69/180054469.db2.gz HWXTZLXNWABSAV-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccno3)C2)n[nH]1 ZINC000268445434 180054471 /nfs/dbraw/zinc/05/44/71/180054471.db2.gz HWXTZLXNWABSAV-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)no1 ZINC000371381749 180054751 /nfs/dbraw/zinc/05/47/51/180054751.db2.gz WBILDTOWUZOERC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)no1 ZINC000371381749 180054752 /nfs/dbraw/zinc/05/47/52/180054752.db2.gz WBILDTOWUZOERC-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cocn2)n1 ZINC000309175336 350120488 /nfs/dbraw/zinc/12/04/88/350120488.db2.gz MMKHBWQZRFGABM-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CC(C)(C)C)CCO2)no1 ZINC000378347100 180057628 /nfs/dbraw/zinc/05/76/28/180057628.db2.gz CAQJWQXFBBOVKO-SNVBAGLBSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CC(C)(C)C)CCO2)no1 ZINC000378347100 180057630 /nfs/dbraw/zinc/05/76/30/180057630.db2.gz CAQJWQXFBBOVKO-SNVBAGLBSA-N 1 2 239.319 1.797 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(F)(F)F ZINC000426163770 191028263 /nfs/dbraw/zinc/02/82/63/191028263.db2.gz WUZIOERLUDOFCS-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(F)(F)F ZINC000426163770 191028266 /nfs/dbraw/zinc/02/82/66/191028266.db2.gz WUZIOERLUDOFCS-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO C[C@H]1CN(C)CC[N@@H+]1Cc1cccc(O)c1 ZINC000219784726 350140774 /nfs/dbraw/zinc/14/07/74/350140774.db2.gz HKYPEGSLMFUCQW-NSHDSACASA-N 1 2 220.316 1.528 20 0 BDADLO C[C@H]1CN(C)CC[N@H+]1Cc1cccc(O)c1 ZINC000219784726 350140777 /nfs/dbraw/zinc/14/07/77/350140777.db2.gz HKYPEGSLMFUCQW-NSHDSACASA-N 1 2 220.316 1.528 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCO3)cc2[nH+]1 ZINC000065006371 180095202 /nfs/dbraw/zinc/09/52/02/180095202.db2.gz OODNYHWIKHBHPE-LBPRGKRZSA-N 1 2 245.282 1.989 20 0 BDADLO Cc1[nH]c2cc(NC(=O)[C@@H]3CCCO3)ccc2[nH+]1 ZINC000065006371 180095206 /nfs/dbraw/zinc/09/52/06/180095206.db2.gz OODNYHWIKHBHPE-LBPRGKRZSA-N 1 2 245.282 1.989 20 0 BDADLO Cc1nc(N2CC(C)(O)C2)c2c([nH+]1)CCCC2 ZINC000276389408 180068016 /nfs/dbraw/zinc/06/80/16/180068016.db2.gz ZTTZOLCEQJENGV-UHFFFAOYSA-N 1 2 233.315 1.235 20 0 BDADLO Cc1nc(N(C)C[C@@H](C)O)c2c([nH+]1)CCCC2 ZINC000292255737 180068642 /nfs/dbraw/zinc/06/86/42/180068642.db2.gz HOCFBWZRLSJBIP-SECBINFHSA-N 1 2 235.331 1.481 20 0 BDADLO Cc1nc(NCC[C@H](C)O)c2c([nH+]1)CCCC2 ZINC000272952026 180070386 /nfs/dbraw/zinc/07/03/86/180070386.db2.gz YVANENOXBZLMFH-VIFPVBQESA-N 1 2 235.331 1.847 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNc1cnccn1 ZINC000362805551 180107502 /nfs/dbraw/zinc/10/75/02/180107502.db2.gz ASLQCEOALWUBFU-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)C ZINC000007343832 180103995 /nfs/dbraw/zinc/10/39/95/180103995.db2.gz RKFBVORNGRIDSX-UHFFFAOYSA-N 1 2 217.272 1.433 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cscn2)c[nH+]1 ZINC000336497957 180132737 /nfs/dbraw/zinc/13/27/37/180132737.db2.gz XMTFQMAMNJJACS-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnnn2C)s1 ZINC000271124968 180141697 /nfs/dbraw/zinc/14/16/97/180141697.db2.gz MFTDQWJVDGZZSK-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnnn2C)s1 ZINC000271124968 180141700 /nfs/dbraw/zinc/14/17/00/180141700.db2.gz MFTDQWJVDGZZSK-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccc(F)c1 ZINC000353145289 180119289 /nfs/dbraw/zinc/11/92/89/180119289.db2.gz UKGMZWCMWKVAGO-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@]1(C)C(C)C ZINC000333713835 180119506 /nfs/dbraw/zinc/11/95/06/180119506.db2.gz GUWIGBKEOIDRSL-DGCLKSJQSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@]1(C)C(C)C ZINC000333713835 180119508 /nfs/dbraw/zinc/11/95/08/180119508.db2.gz GUWIGBKEOIDRSL-DGCLKSJQSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccnc1 ZINC000335876801 180119614 /nfs/dbraw/zinc/11/96/14/180119614.db2.gz SAWZBSJUPBTQLL-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccoc1Cl ZINC000336418490 180122536 /nfs/dbraw/zinc/12/25/36/180122536.db2.gz WGEBFGQZHLXQPV-UHFFFAOYSA-N 1 2 239.662 1.895 20 0 BDADLO Cc1cc(C)nc([S@](=O)Cc2c[nH+]cn2C)c1 ZINC000618532913 350194451 /nfs/dbraw/zinc/19/44/51/350194451.db2.gz FECVRSBSIHOKTP-QGZVFWFLSA-N 1 2 249.339 1.740 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000637099262 350197561 /nfs/dbraw/zinc/19/75/61/350197561.db2.gz HKNAUTWARMRZDQ-DOFRTFSJSA-N 1 2 234.303 1.350 20 0 BDADLO Cc1nsc(NCCNc2cccc(C)[nH+]2)n1 ZINC000427404851 191073548 /nfs/dbraw/zinc/07/35/48/191073548.db2.gz CKJUUWWMHHRPQH-UHFFFAOYSA-N 1 2 249.343 1.496 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[S@](=O)CC2)cc[nH+]1 ZINC000276986278 180194409 /nfs/dbraw/zinc/19/44/09/180194409.db2.gz GEQNMYHTWHSDAF-JDNHERCYSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1nc(NCCNC(=O)c2ccco2)cc[nH+]1 ZINC000266150921 180199090 /nfs/dbraw/zinc/19/90/90/180199090.db2.gz SXYIOMRRXKSPKR-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO Cc1nc(NC[C@H](O)c2ccsc2)cc[nH+]1 ZINC000078296437 180201413 /nfs/dbraw/zinc/20/14/13/180201413.db2.gz AIDPLYDEPPNGLT-JTQLQIEISA-N 1 2 235.312 1.992 20 0 BDADLO Cc1nc(N[C@@H](C)C(=O)NC(C)(C)C)cc[nH+]1 ZINC000134780225 180202556 /nfs/dbraw/zinc/20/25/56/180202556.db2.gz HYZWRNOBRBTCGD-QMMMGPOBSA-N 1 2 236.319 1.500 20 0 BDADLO Cc1nc(N[C@@H](c2nncn2C)C(C)C)cc[nH+]1 ZINC000286693422 180204053 /nfs/dbraw/zinc/20/40/53/180204053.db2.gz XTEVLCQAEMHDJL-LLVKDONJSA-N 1 2 246.318 1.723 20 0 BDADLO Cc1nccc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000054936231 180206425 /nfs/dbraw/zinc/20/64/25/180206425.db2.gz VQDJXNLQENAUDQ-SECBINFHSA-N 1 2 217.276 1.482 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000336781294 180182232 /nfs/dbraw/zinc/18/22/32/180182232.db2.gz UGSJINNZDBDXFD-ZCFIWIBFSA-N 1 2 235.316 1.540 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345760098 133794876 /nfs/dbraw/zinc/79/48/76/133794876.db2.gz MQJBPIGENCCLSM-GUBZILKMSA-N 1 2 248.317 1.925 20 0 BDADLO Cc1ncccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000120697276 180219121 /nfs/dbraw/zinc/21/91/21/180219121.db2.gz HXEUCVPWJIZJRD-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ncccc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000120697276 180219122 /nfs/dbraw/zinc/21/91/22/180219122.db2.gz HXEUCVPWJIZJRD-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ncccc1NCc1c[nH+]cn1C ZINC000085712244 180226550 /nfs/dbraw/zinc/22/65/50/180226550.db2.gz HDXCSRZWELKTAM-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cc1noc(C[N@@H+]2CCCOC(C)(C)C2)n1 ZINC000604999711 350235868 /nfs/dbraw/zinc/23/58/68/350235868.db2.gz KBPHHBUMFMOLCE-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1noc(C[N@H+]2CCCOC(C)(C)C2)n1 ZINC000604999711 350235872 /nfs/dbraw/zinc/23/58/72/350235872.db2.gz KBPHHBUMFMOLCE-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC000049331231 180249662 /nfs/dbraw/zinc/24/96/62/180249662.db2.gz AIURMVWEDJHZMI-NSHDSACASA-N 1 2 237.303 1.131 20 0 BDADLO Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000049331231 180249667 /nfs/dbraw/zinc/24/96/67/180249667.db2.gz AIURMVWEDJHZMI-NSHDSACASA-N 1 2 237.303 1.131 20 0 BDADLO c1cn2c(cccc2CNc2c[nH]cn2)[nH+]1 ZINC000309312455 350275410 /nfs/dbraw/zinc/27/54/10/350275410.db2.gz CFUFRYJFGOYUMS-UHFFFAOYSA-N 1 2 213.244 1.670 20 0 BDADLO Cc1nccnc1NCC1([NH+]2CCOCC2)CC1 ZINC000290912215 180276991 /nfs/dbraw/zinc/27/69/91/180276991.db2.gz GYRBWRBZYMWOAV-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428359701 191093187 /nfs/dbraw/zinc/09/31/87/191093187.db2.gz QQMDCKUVXIOQGB-MEWQQHAOSA-N 1 2 245.326 1.360 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000637236257 350320309 /nfs/dbraw/zinc/32/03/09/350320309.db2.gz FCEZGVYNZZDUTH-ILWJIGKKSA-N 1 2 234.303 1.350 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000037967807 350294027 /nfs/dbraw/zinc/29/40/27/350294027.db2.gz LEKHVYYBRMADLM-LBPRGKRZSA-N 1 2 219.284 1.900 20 0 BDADLO Cc1ncsc1C[N@H+](C)CC(=O)NC1CC1 ZINC000066564089 180314083 /nfs/dbraw/zinc/31/40/83/180314083.db2.gz OORKOPKUYIESPE-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncsc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000066564089 180314086 /nfs/dbraw/zinc/31/40/86/180314086.db2.gz OORKOPKUYIESPE-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000178657665 180315265 /nfs/dbraw/zinc/31/52/65/180315265.db2.gz WJDHHEPESCJLAU-SECBINFHSA-N 1 2 241.360 1.360 20 0 BDADLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000178657665 180315267 /nfs/dbraw/zinc/31/52/67/180315267.db2.gz WJDHHEPESCJLAU-SECBINFHSA-N 1 2 241.360 1.360 20 0 BDADLO Cc1ncoc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353003958 180299532 /nfs/dbraw/zinc/29/95/32/180299532.db2.gz ANKQNPNZMYQSBC-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)oc1C ZINC000335165974 538089967 /nfs/dbraw/zinc/08/99/67/538089967.db2.gz MNBLHLVDAIPBNA-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CC[C@@H](COC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581676247 350405010 /nfs/dbraw/zinc/40/50/10/350405010.db2.gz PZCSYBKAMWCISZ-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H](COC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581676247 350405015 /nfs/dbraw/zinc/40/50/15/350405015.db2.gz PZCSYBKAMWCISZ-ZJUUUORDSA-N 1 2 239.319 1.130 20 0 BDADLO C[C@H](CCO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582205 350373058 /nfs/dbraw/zinc/37/30/58/350373058.db2.gz HCZJSMUQUCYFQO-SECBINFHSA-N 1 2 248.286 1.227 20 0 BDADLO CC[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)OC ZINC000427923846 191101411 /nfs/dbraw/zinc/10/14/11/191101411.db2.gz OHHIZDYZYHMRER-SECBINFHSA-N 1 2 239.319 1.229 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000617211938 350381506 /nfs/dbraw/zinc/38/15/06/350381506.db2.gz RMFYVZTTXWPQFS-SUNKGSAMSA-N 1 2 245.326 1.504 20 0 BDADLO CC[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000637277772 350387985 /nfs/dbraw/zinc/38/79/85/350387985.db2.gz CICWUQPOMABWRB-CMPLNLGQSA-N 1 2 248.330 1.296 20 0 BDADLO CC[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000637277775 350387991 /nfs/dbraw/zinc/38/79/91/350387991.db2.gz CICWUQPOMABWRB-ZYHUDNBSSA-N 1 2 248.330 1.296 20 0 BDADLO CCn1ccnc1C[N@H+](CC)[C@@H]1CCOC1 ZINC000336669095 350433306 /nfs/dbraw/zinc/43/33/06/350433306.db2.gz REVBMQLIBIYFAP-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@@H+](CC)[C@@H]1CCOC1 ZINC000336669095 350433307 /nfs/dbraw/zinc/43/33/07/350433307.db2.gz REVBMQLIBIYFAP-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+](C)C1(CO)CC1 ZINC000285542074 180349820 /nfs/dbraw/zinc/34/98/20/180349820.db2.gz QBUKLEODGDYRTQ-UHFFFAOYSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C1(CO)CC1 ZINC000285542074 180349824 /nfs/dbraw/zinc/34/98/24/180349824.db2.gz QBUKLEODGDYRTQ-UHFFFAOYSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000126904358 490525294 /nfs/dbraw/zinc/52/52/94/490525294.db2.gz WRHJWZUHZBYUPK-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000195046317 180338408 /nfs/dbraw/zinc/33/84/08/180338408.db2.gz PYNSDKLXTLWYLQ-VIFPVBQESA-N 1 2 223.320 1.258 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000195046317 180338411 /nfs/dbraw/zinc/33/84/11/180338411.db2.gz PYNSDKLXTLWYLQ-VIFPVBQESA-N 1 2 223.320 1.258 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427988057 191104376 /nfs/dbraw/zinc/10/43/76/191104376.db2.gz BWTZEDIUNUCDQH-SDDRHHMPSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1nn(C)cc1CN(C)Cc1[nH+]ccn1C ZINC000273815277 180373520 /nfs/dbraw/zinc/37/35/20/180373520.db2.gz ZLIBQAYDMJSFIT-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000428002713 191105324 /nfs/dbraw/zinc/10/53/24/191105324.db2.gz ZEZYMWKEHFKCMY-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427999506 191105650 /nfs/dbraw/zinc/10/56/50/191105650.db2.gz ZQCZHPVOOPUYIG-UHIISALHSA-N 1 2 247.342 1.750 20 0 BDADLO CC[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000059607173 350494915 /nfs/dbraw/zinc/49/49/15/350494915.db2.gz OGBUDVYOTVOOSB-UHFFFAOYSA-N 1 2 234.328 1.652 20 0 BDADLO CC[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000059607173 350494917 /nfs/dbraw/zinc/49/49/17/350494917.db2.gz OGBUDVYOTVOOSB-UHFFFAOYSA-N 1 2 234.328 1.652 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOC1CCCC1 ZINC000070167365 350504685 /nfs/dbraw/zinc/50/46/85/350504685.db2.gz DHRAZMJBMYNLSR-UHFFFAOYSA-N 1 2 223.320 1.767 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@H](CO)SC ZINC000228320190 350537202 /nfs/dbraw/zinc/53/72/02/350537202.db2.gz XQSJLZFELFZMAK-SCZZXKLOSA-N 1 2 242.344 1.615 20 0 BDADLO COCC[C@@H](C)[N@@H+]1CCOCC(F)(F)C1 ZINC000344103607 538095754 /nfs/dbraw/zinc/09/57/54/538095754.db2.gz FRPBVVNXCPJKSY-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO COCC[C@@H](C)[N@H+]1CCOCC(F)(F)C1 ZINC000344103607 538095756 /nfs/dbraw/zinc/09/57/56/538095756.db2.gz FRPBVVNXCPJKSY-SECBINFHSA-N 1 2 223.263 1.379 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1C/C=C\c1ccccc1 ZINC000337426169 350584383 /nfs/dbraw/zinc/58/43/83/350584383.db2.gz SOJNKJZFAGQPJL-TWGQIWQCSA-N 1 2 244.338 1.910 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1C/C=C\c1ccccc1 ZINC000337426169 350584385 /nfs/dbraw/zinc/58/43/85/350584385.db2.gz SOJNKJZFAGQPJL-TWGQIWQCSA-N 1 2 244.338 1.910 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000131416002 490637103 /nfs/dbraw/zinc/63/71/03/490637103.db2.gz ILLPFEJUZNUUMP-SECBINFHSA-N 1 2 207.277 1.188 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H](C)O)ccn12 ZINC000577527515 365978775 /nfs/dbraw/zinc/97/87/75/365978775.db2.gz CZCUDTXTJHQHDK-SNVBAGLBSA-N 1 2 247.298 1.096 20 0 BDADLO FC(F)(F)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000606895440 350620902 /nfs/dbraw/zinc/62/09/02/350620902.db2.gz ZTJCHCPTYMUDPN-QMMMGPOBSA-N 1 2 232.205 1.849 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000335670790 538098377 /nfs/dbraw/zinc/09/83/77/538098377.db2.gz KICFGGABDMOMSV-AOOOYVTPSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000335670790 538098379 /nfs/dbraw/zinc/09/83/79/538098379.db2.gz KICFGGABDMOMSV-AOOOYVTPSA-N 1 2 221.304 1.742 20 0 BDADLO CCCC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000577569655 365992277 /nfs/dbraw/zinc/99/22/77/365992277.db2.gz SDOHGPANSRYDLI-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncnn2C)CCS1 ZINC000177356721 365995168 /nfs/dbraw/zinc/99/51/68/365995168.db2.gz WCDDSPBDBRZMLN-VIFPVBQESA-N 1 2 226.349 1.143 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncnn2C)CCS1 ZINC000177356721 365995172 /nfs/dbraw/zinc/99/51/72/365995172.db2.gz WCDDSPBDBRZMLN-VIFPVBQESA-N 1 2 226.349 1.143 20 0 BDADLO CC[N@H+](Cc1noc(C(C)C)n1)[C@@H](C)CO ZINC000339629883 350769583 /nfs/dbraw/zinc/76/95/83/350769583.db2.gz DLMLSOUDDSUTMK-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)C)n1)[C@@H](C)CO ZINC000339629883 350769587 /nfs/dbraw/zinc/76/95/87/350769587.db2.gz DLMLSOUDDSUTMK-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)[nH]c1C ZINC000628309147 350785440 /nfs/dbraw/zinc/78/54/40/350785440.db2.gz COKWGPVLFLLESK-NEPJUHHUSA-N 1 2 235.331 1.637 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)[nH]c1C ZINC000628309147 350785441 /nfs/dbraw/zinc/78/54/41/350785441.db2.gz COKWGPVLFLLESK-NEPJUHHUSA-N 1 2 235.331 1.637 20 0 BDADLO Cc1[nH]c(CN2CCC[C@@H]3COC[C@@H]32)[nH+]c1C ZINC000628309147 350785444 /nfs/dbraw/zinc/78/54/44/350785444.db2.gz COKWGPVLFLLESK-NEPJUHHUSA-N 1 2 235.331 1.637 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1C[C@@H]1C)Cn1cc[nH+]c1 ZINC000607040147 350796689 /nfs/dbraw/zinc/79/66/89/350796689.db2.gz QYRFYVORAHAEHS-OUAUKWLOSA-N 1 2 221.304 1.291 20 0 BDADLO C[C@H](CNC(=O)[C@H]1C[C@@H]1C)Cn1cc[nH+]c1 ZINC000607040149 350796732 /nfs/dbraw/zinc/79/67/32/350796732.db2.gz QYRFYVORAHAEHS-VWYCJHECSA-N 1 2 221.304 1.291 20 0 BDADLO Cc1nsc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000271307198 180521424 /nfs/dbraw/zinc/52/14/24/180521424.db2.gz LOKNAIJIEJOYDM-MRVPVSSYSA-N 1 2 237.332 1.791 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC=CCC1 ZINC000382505289 350849038 /nfs/dbraw/zinc/84/90/38/350849038.db2.gz VKRBIEOHXDPUJG-JTQLQIEISA-N 1 2 211.305 1.979 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC=CCC1 ZINC000382505289 350849041 /nfs/dbraw/zinc/84/90/41/350849041.db2.gz VKRBIEOHXDPUJG-JTQLQIEISA-N 1 2 211.305 1.979 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)ccn1 ZINC000623563024 362987743 /nfs/dbraw/zinc/98/77/43/362987743.db2.gz LFQUAMYMIHVVJP-CMPLNLGQSA-N 1 2 243.314 1.777 20 0 BDADLO O=C(C1CC=CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000607111174 350919575 /nfs/dbraw/zinc/91/95/75/350919575.db2.gz UXYSNMCACQCAOM-UHFFFAOYSA-N 1 2 244.294 1.637 20 0 BDADLO CCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000052279681 350978068 /nfs/dbraw/zinc/97/80/68/350978068.db2.gz MBIPGOOXJJMNGG-UHFFFAOYSA-N 1 2 237.303 1.735 20 0 BDADLO COc1cc(C[NH2+]Cc2cocn2)cc(OC)c1 ZINC000397945639 350993844 /nfs/dbraw/zinc/99/38/44/350993844.db2.gz WPOVNANXEILNAX-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)c1noc(C)n1)C(C)C ZINC000309666786 323445489 /nfs/dbraw/zinc/44/54/89/323445489.db2.gz UMEVQMWLKYLBKC-WPRPVWTQSA-N 1 2 227.308 1.700 20 0 BDADLO CCCn1nc(C)c(C[NH2+]Cc2cnn[nH]2)c1C ZINC000623578060 363010078 /nfs/dbraw/zinc/01/00/78/363010078.db2.gz SSQJZHSEQYVCDV-UHFFFAOYSA-N 1 2 248.334 1.318 20 0 BDADLO Cc1cccc2ncc(C[NH2+]Cc3cnn[nH]3)n21 ZINC000623577953 363009843 /nfs/dbraw/zinc/00/98/43/363009843.db2.gz NNNCRFOYLHRLGD-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO Clc1sccc1C[NH2+]Cc1cnn[nH]1 ZINC000398426750 351150317 /nfs/dbraw/zinc/15/03/17/351150317.db2.gz XWGMNJYNNKOSBA-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO Cc1[nH]c(CN2CCC(C3(O)CC3)CC2)[nH+]c1C ZINC000628323969 351234017 /nfs/dbraw/zinc/23/40/17/351234017.db2.gz XOUPDJYBTNCHSR-UHFFFAOYSA-N 1 2 249.358 1.763 20 0 BDADLO CCc1nc(C[NH2+][C@@H](C)Cn2cccn2)no1 ZINC000264407570 351235818 /nfs/dbraw/zinc/23/58/18/351235818.db2.gz XZOUBOMJBGLYFQ-VIFPVBQESA-N 1 2 235.291 1.007 20 0 BDADLO Cc1[nH]c(CN(C)[C@H](C)CCO)[nH+]c1C ZINC000628325916 351256938 /nfs/dbraw/zinc/25/69/38/351256938.db2.gz JXXFRJNFUQQSJS-MRVPVSSYSA-N 1 2 211.309 1.229 20 0 BDADLO Cc1[nH]c(CN(C)[C@@H](C)CCO)[nH+]c1C ZINC000628325917 351256987 /nfs/dbraw/zinc/25/69/87/351256987.db2.gz JXXFRJNFUQQSJS-QMMMGPOBSA-N 1 2 211.309 1.229 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)OC ZINC000265067633 351262412 /nfs/dbraw/zinc/26/24/12/351262412.db2.gz SIOPTHBYMPJJRK-QMMMGPOBSA-N 1 2 208.261 1.617 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CCOC ZINC000265074612 351262468 /nfs/dbraw/zinc/26/24/68/351262468.db2.gz XZFLTZQQEZDULV-UHFFFAOYSA-N 1 2 208.261 1.619 20 0 BDADLO Cc1nc(NCCC2CCCCC2)nc(N)[nH+]1 ZINC000379994911 351307307 /nfs/dbraw/zinc/30/73/07/351307307.db2.gz VNMZQDYHGRAOLC-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO Cc1nc(N)nc(NCCC2CCCCC2)[nH+]1 ZINC000379994911 351307311 /nfs/dbraw/zinc/30/73/11/351307311.db2.gz VNMZQDYHGRAOLC-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO CC[C@@H](O)CCNC(=O)Nc1cc[nH+]cc1C ZINC000271141660 351404626 /nfs/dbraw/zinc/40/46/26/351404626.db2.gz QJIAHDWCQXOFNG-SNVBAGLBSA-N 1 2 237.303 1.673 20 0 BDADLO CCc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)on1 ZINC000607390464 351374886 /nfs/dbraw/zinc/37/48/86/351374886.db2.gz SEYPBSPCYDGUKK-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCN1CC[N@H+](Cc2cccc(OC)c2)CC1=O ZINC000273436184 351529358 /nfs/dbraw/zinc/52/93/58/351529358.db2.gz MKAONHOZQLIBMX-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO CCN1CC[N@@H+](Cc2cccc(OC)c2)CC1=O ZINC000273436184 351529361 /nfs/dbraw/zinc/52/93/61/351529361.db2.gz MKAONHOZQLIBMX-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000577624437 366022775 /nfs/dbraw/zinc/02/27/75/366022775.db2.gz LGMWSSLVXYUZGC-SSDOTTSWSA-N 1 2 247.302 1.567 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000577624437 366022780 /nfs/dbraw/zinc/02/27/80/366022780.db2.gz LGMWSSLVXYUZGC-SSDOTTSWSA-N 1 2 247.302 1.567 20 0 BDADLO CCN1CCC[N@H+](Cc2cncc(C)c2)CC1=O ZINC000276281188 351613982 /nfs/dbraw/zinc/61/39/82/351613982.db2.gz UIQLPOWYKVUEOQ-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCN1CCC[N@@H+](Cc2cncc(C)c2)CC1=O ZINC000276281188 351613986 /nfs/dbraw/zinc/61/39/86/351613986.db2.gz UIQLPOWYKVUEOQ-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)c(C)n1 ZINC000335788970 538100585 /nfs/dbraw/zinc/10/05/85/538100585.db2.gz KHWJWWLOOBHLAK-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1ccc(C[NH+]2CCOCC2)c(F)c1 ZINC000637811645 351652791 /nfs/dbraw/zinc/65/27/91/351652791.db2.gz QKYPRBSVUWBNOX-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO C[C@@H]1C[NH+]([C@H](c2nccn2C)C2CC2)C[C@@H](C)O1 ZINC000637815772 351654637 /nfs/dbraw/zinc/65/46/37/351654637.db2.gz WCWSFUXUWSVOKI-WZRBSPASSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000582140731 351616451 /nfs/dbraw/zinc/61/64/51/351616451.db2.gz ZPYUAVZGPPPJCK-MDZLAQPJSA-N 1 2 249.358 1.904 20 0 BDADLO CCCc1nc(C(=O)Nc2ccc(N)[nH+]c2)co1 ZINC000637830336 351679790 /nfs/dbraw/zinc/67/97/90/351679790.db2.gz VHAGTXUNNCUSHU-UHFFFAOYSA-N 1 2 246.270 1.687 20 0 BDADLO CC(C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577735025 366047949 /nfs/dbraw/zinc/04/79/49/366047949.db2.gz SAKKPERHQGNFJH-LLVKDONJSA-N 1 2 223.320 1.949 20 0 BDADLO O=C1C[N@H+](Cc2cccc3ncccc23)CCN1 ZINC000637847272 351705113 /nfs/dbraw/zinc/70/51/13/351705113.db2.gz IGYIHNNQRIZMTI-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3ncccc23)CCN1 ZINC000637847272 351705118 /nfs/dbraw/zinc/70/51/18/351705118.db2.gz IGYIHNNQRIZMTI-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO CCO[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000637827934 351670397 /nfs/dbraw/zinc/67/03/97/351670397.db2.gz BXDCVUQIRSKCNY-LLVKDONJSA-N 1 2 237.303 1.494 20 0 BDADLO COCCC[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000577767926 366058149 /nfs/dbraw/zinc/05/81/49/366058149.db2.gz PLLKAVFAFRSSDG-NXEZZACHSA-N 1 2 239.319 1.650 20 0 BDADLO CCN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177771453 366064375 /nfs/dbraw/zinc/06/43/75/366064375.db2.gz UKHDNXOLIKGEFL-UHFFFAOYSA-N 1 2 232.287 1.496 20 0 BDADLO CC[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000618866044 351822399 /nfs/dbraw/zinc/82/23/99/351822399.db2.gz IQXRRXCCTGHWRD-LLVKDONJSA-N 1 2 221.304 1.578 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@]1(OC)CCOC1 ZINC000637992372 351869219 /nfs/dbraw/zinc/86/92/19/351869219.db2.gz FNJQOGMUJCJGQE-LLVKDONJSA-N 1 2 237.290 1.769 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@]1(OC)CCOC1 ZINC000637992372 351869222 /nfs/dbraw/zinc/86/92/22/351869222.db2.gz FNJQOGMUJCJGQE-LLVKDONJSA-N 1 2 237.290 1.769 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000232149155 351920918 /nfs/dbraw/zinc/92/09/18/351920918.db2.gz YEQKHFKSSFAMSA-LBPRGKRZSA-N 1 2 243.347 1.423 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000232149155 351920920 /nfs/dbraw/zinc/92/09/20/351920920.db2.gz YEQKHFKSSFAMSA-LBPRGKRZSA-N 1 2 243.347 1.423 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+]1CCn2cnnc2C1)OC ZINC000638049970 351927412 /nfs/dbraw/zinc/92/74/12/351927412.db2.gz PTYWCRWMSHPKGQ-QWRGUYRKSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+]1CCn2cnnc2C1)OC ZINC000638049970 351927416 /nfs/dbraw/zinc/92/74/16/351927416.db2.gz PTYWCRWMSHPKGQ-QWRGUYRKSA-N 1 2 238.335 1.155 20 0 BDADLO CC(C)C1(C[N@@H+]2CCn3cnnc3C2)CC1 ZINC000638048777 351928831 /nfs/dbraw/zinc/92/88/31/351928831.db2.gz GWUVGFOHSZLXFM-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO CC(C)C1(C[N@H+]2CCn3cnnc3C2)CC1 ZINC000638048777 351928834 /nfs/dbraw/zinc/92/88/34/351928834.db2.gz GWUVGFOHSZLXFM-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1CCOc1ccccc1 ZINC000282473244 351933386 /nfs/dbraw/zinc/93/33/86/351933386.db2.gz GSHHTLFFONPWPB-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1CCOc1ccccc1 ZINC000282473244 351933387 /nfs/dbraw/zinc/93/33/87/351933387.db2.gz GSHHTLFFONPWPB-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO CC[N@H+](Cc1ncc(C)s1)[C@@H]1CCNC1=O ZINC000281849994 351912580 /nfs/dbraw/zinc/91/25/80/351912580.db2.gz NLRWJMGTEQPPMB-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CC[N@@H+](Cc1ncc(C)s1)[C@@H]1CCNC1=O ZINC000281849994 351912583 /nfs/dbraw/zinc/91/25/83/351912583.db2.gz NLRWJMGTEQPPMB-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccns2)cn1 ZINC000638085672 351963272 /nfs/dbraw/zinc/96/32/72/351963272.db2.gz XLGWTGQPRBTDBS-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccns2)cn1 ZINC000638085672 351963274 /nfs/dbraw/zinc/96/32/74/351963274.db2.gz XLGWTGQPRBTDBS-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO COc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000638087703 351966153 /nfs/dbraw/zinc/96/61/53/351966153.db2.gz FPPIZTJVCSBRLO-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000638087703 351966155 /nfs/dbraw/zinc/96/61/55/351966155.db2.gz FPPIZTJVCSBRLO-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638097307 351978196 /nfs/dbraw/zinc/97/81/96/351978196.db2.gz TXMZDVCFZXHPSK-NXEZZACHSA-N 1 2 226.324 1.298 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638097307 351978201 /nfs/dbraw/zinc/97/82/01/351978201.db2.gz TXMZDVCFZXHPSK-NXEZZACHSA-N 1 2 226.324 1.298 20 0 BDADLO CN(Cc1ccon1)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638099140 351978422 /nfs/dbraw/zinc/97/84/22/351978422.db2.gz GXQHLPGFXXNWLY-LBPRGKRZSA-N 1 2 246.314 1.991 20 0 BDADLO CCc1nc(N2CCC[C@H]2CO)cc(C)[nH+]1 ZINC000283779420 351983783 /nfs/dbraw/zinc/98/37/83/351983783.db2.gz PZXSGQCOBVSQDI-JTQLQIEISA-N 1 2 221.304 1.309 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)CC1(O)CCC1 ZINC000353487546 352055616 /nfs/dbraw/zinc/05/56/16/352055616.db2.gz MOANJTVCUTYICE-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)CC1(O)CCC1 ZINC000353487546 352055618 /nfs/dbraw/zinc/05/56/18/352055618.db2.gz MOANJTVCUTYICE-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CC(C)c1csc([C@H]2COCC[NH2+]2)n1 ZINC000083988515 352202604 /nfs/dbraw/zinc/20/26/04/352202604.db2.gz KKQAORYDVHNOGY-MRVPVSSYSA-N 1 2 212.318 1.927 20 0 BDADLO CC[N@H+](Cc1cnn(C)n1)Cc1ccccc1 ZINC000290131155 352211288 /nfs/dbraw/zinc/21/12/88/352211288.db2.gz ZNOUENUXTIBGEB-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cnn(C)n1)Cc1ccccc1 ZINC000290131155 352211291 /nfs/dbraw/zinc/21/12/91/352211291.db2.gz ZNOUENUXTIBGEB-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(F)c1 ZINC000336007735 538102314 /nfs/dbraw/zinc/10/23/14/538102314.db2.gz SUSHAXFFVXOHIX-UHFFFAOYSA-N 1 2 248.261 1.881 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290925486 352249763 /nfs/dbraw/zinc/24/97/63/352249763.db2.gz LHMIPJJWDLWSLX-JTQLQIEISA-N 1 2 219.288 1.271 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cn2cc[nH+]c2)s1 ZINC000073338762 352295752 /nfs/dbraw/zinc/29/57/52/352295752.db2.gz AMIDCMKFPZXHFX-UHFFFAOYSA-N 1 2 249.339 1.912 20 0 BDADLO COc1ccc(CN(C)Cc2[nH+]ccn2C)nc1 ZINC000338272495 187673080 /nfs/dbraw/zinc/67/30/80/187673080.db2.gz YRTYVFPLSAFAKN-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)CCc1cncs1 ZINC000411370410 191180737 /nfs/dbraw/zinc/18/07/37/191180737.db2.gz TYLPRTMUDRUXKW-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)CCc1cncs1 ZINC000411370410 191180739 /nfs/dbraw/zinc/18/07/39/191180739.db2.gz TYLPRTMUDRUXKW-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccc(C)cn1)C1CC1 ZINC000411606887 191196692 /nfs/dbraw/zinc/19/66/92/191196692.db2.gz CENYJKLISHFPIE-ZDUSSCGKSA-N 1 2 248.326 1.474 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000411622373 191198938 /nfs/dbraw/zinc/19/89/38/191198938.db2.gz SWVDADLMROLULA-SECBINFHSA-N 1 2 236.319 1.120 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000411622373 191198940 /nfs/dbraw/zinc/19/89/40/191198940.db2.gz SWVDADLMROLULA-SECBINFHSA-N 1 2 236.319 1.120 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C[C@H]1CCCO1 ZINC000411632765 191199423 /nfs/dbraw/zinc/19/94/23/191199423.db2.gz GZZGFCWDZRBLPP-CYBMUJFWSA-N 1 2 249.358 1.830 20 0 BDADLO COc1cc[nH+]cc1CN1C(=O)[C@@H](C)[C@H](C)C1=O ZINC000288607384 187695252 /nfs/dbraw/zinc/69/52/52/187695252.db2.gz NDWAUDPFJYFXMV-IUCAKERBSA-N 1 2 248.282 1.231 20 0 BDADLO C[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)n1cccc1 ZINC000607948202 352453553 /nfs/dbraw/zinc/45/35/53/352453553.db2.gz ASAADOHBLQVEIH-NSHDSACASA-N 1 2 246.314 1.521 20 0 BDADLO COc1ccccc1N(C)C(=O)Cn1cc[nH+]c1 ZINC000608010576 352603791 /nfs/dbraw/zinc/60/37/91/352603791.db2.gz RALQMVOBOFKUEB-UHFFFAOYSA-N 1 2 245.282 1.555 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000374329934 180758770 /nfs/dbraw/zinc/75/87/70/180758770.db2.gz GTCZGGMNMBYJNM-SNVBAGLBSA-N 1 2 244.298 1.378 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000132344023 180781857 /nfs/dbraw/zinc/78/18/57/180781857.db2.gz ILJFQAADBXTMJM-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000132344023 180781859 /nfs/dbraw/zinc/78/18/59/180781859.db2.gz ILJFQAADBXTMJM-LBPRGKRZSA-N 1 2 221.304 1.031 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)nn1 ZINC000412027940 191239801 /nfs/dbraw/zinc/23/98/01/191239801.db2.gz MFPBYLDTUKNHHT-CMPLNLGQSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)nn1 ZINC000412027940 191239803 /nfs/dbraw/zinc/23/98/03/191239803.db2.gz MFPBYLDTUKNHHT-CMPLNLGQSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H]([NH2+]CCOCC1CC1)c1csnn1 ZINC000412045937 191243101 /nfs/dbraw/zinc/24/31/01/191243101.db2.gz SPOXXLWPSICTQH-MRVPVSSYSA-N 1 2 227.333 1.615 20 0 BDADLO CSCCCCCNc1nc(C)[nH+]c(N)n1 ZINC000304434426 352731213 /nfs/dbraw/zinc/73/12/13/352731213.db2.gz GVZHGADPUIXZMT-UHFFFAOYSA-N 1 2 241.364 1.707 20 0 BDADLO CSCCCCCNc1nc(N)nc(C)[nH+]1 ZINC000304434426 352731216 /nfs/dbraw/zinc/73/12/16/352731216.db2.gz GVZHGADPUIXZMT-UHFFFAOYSA-N 1 2 241.364 1.707 20 0 BDADLO CCn1ncnc1CNc1ccc[nH+]c1C ZINC000638787445 352742667 /nfs/dbraw/zinc/74/26/67/352742667.db2.gz ZUDYNAMKYLASRA-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cn1 ZINC000334177732 352763857 /nfs/dbraw/zinc/76/38/57/352763857.db2.gz CMVGFJYHBGLUFL-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NCC2(C)C)cn1 ZINC000334177732 352763860 /nfs/dbraw/zinc/76/38/60/352763860.db2.gz CMVGFJYHBGLUFL-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cn(C)nn2)CCS1 ZINC000334217412 352817536 /nfs/dbraw/zinc/81/75/36/352817536.db2.gz WQNPDNHEIQJWIH-LLVKDONJSA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cn(C)nn2)CCS1 ZINC000334217412 352817538 /nfs/dbraw/zinc/81/75/38/352817538.db2.gz WQNPDNHEIQJWIH-LLVKDONJSA-N 1 2 240.376 1.389 20 0 BDADLO O=C(NCCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178071795 366084337 /nfs/dbraw/zinc/08/43/37/366084337.db2.gz IDENGWSLDNYBJK-UHFFFAOYSA-N 1 2 247.273 1.962 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCCCCO1 ZINC000334190530 352781121 /nfs/dbraw/zinc/78/11/21/352781121.db2.gz HXFRUMHDAOHZTR-UHFFFAOYSA-N 1 2 237.303 1.297 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C(F)F ZINC000334200253 352793313 /nfs/dbraw/zinc/79/33/13/352793313.db2.gz NYIVZCAUJBUCMS-SECBINFHSA-N 1 2 243.257 1.529 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000334204957 352799175 /nfs/dbraw/zinc/79/91/75/352799175.db2.gz TVZLDWKZKZBFKS-MCIGGMRASA-N 1 2 247.342 1.863 20 0 BDADLO C[C@@]1(F)CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000334210613 352807589 /nfs/dbraw/zinc/80/75/89/352807589.db2.gz GHADYPHOTFEFRO-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@]1(F)CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000334210613 352807592 /nfs/dbraw/zinc/80/75/92/352807592.db2.gz GHADYPHOTFEFRO-WDEREUQCSA-N 1 2 249.351 1.245 20 0 BDADLO Cc1c[nH+]c(CN(CCCCO)C2CC2)n1C ZINC000342806598 352860209 /nfs/dbraw/zinc/86/02/09/352860209.db2.gz KSVJHHVOJNYVLW-UHFFFAOYSA-N 1 2 237.347 1.465 20 0 BDADLO Cc1nc(N2CC(CCO)C2)c(C)c(C)[nH+]1 ZINC000342816375 352863808 /nfs/dbraw/zinc/86/38/08/352863808.db2.gz HIXFUXUAXCFYMF-UHFFFAOYSA-N 1 2 221.304 1.220 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1CC1)CCC2 ZINC000334246465 352837218 /nfs/dbraw/zinc/83/72/18/352837218.db2.gz IILPGMYJWWMYKU-LLVKDONJSA-N 1 2 233.315 1.595 20 0 BDADLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C(C)(C)C)C1 ZINC000334248525 352840835 /nfs/dbraw/zinc/84/08/35/352840835.db2.gz XQDBXDPNUYWCES-JTQLQIEISA-N 1 2 242.363 1.258 20 0 BDADLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)C(C)(C)C)C1 ZINC000334248525 352840839 /nfs/dbraw/zinc/84/08/39/352840839.db2.gz XQDBXDPNUYWCES-JTQLQIEISA-N 1 2 242.363 1.258 20 0 BDADLO FC1(F)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334250415 352843770 /nfs/dbraw/zinc/84/37/70/352843770.db2.gz ARYFCJNRYBQJJV-PHIMTYICSA-N 1 2 246.301 1.191 20 0 BDADLO FC1(F)CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334250415 352843773 /nfs/dbraw/zinc/84/37/73/352843773.db2.gz ARYFCJNRYBQJJV-PHIMTYICSA-N 1 2 246.301 1.191 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000334278395 352912684 /nfs/dbraw/zinc/91/26/84/352912684.db2.gz UHXRMLVPNUFGED-STQMWFEESA-N 1 2 236.315 1.990 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000334278395 352912687 /nfs/dbraw/zinc/91/26/87/352912687.db2.gz UHXRMLVPNUFGED-STQMWFEESA-N 1 2 236.315 1.990 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnc(OC)c1 ZINC000342864420 352881712 /nfs/dbraw/zinc/88/17/12/352881712.db2.gz NRZJPDVNFZICAD-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnc(OC)c1 ZINC000342864420 352881716 /nfs/dbraw/zinc/88/17/16/352881716.db2.gz NRZJPDVNFZICAD-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ccn1 ZINC000342865241 352881766 /nfs/dbraw/zinc/88/17/66/352881766.db2.gz SYWBCEMLUOWEEA-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccn1 ZINC000342865241 352881769 /nfs/dbraw/zinc/88/17/69/352881769.db2.gz SYWBCEMLUOWEEA-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1ncc(C[NH+]2CCSCC2)cn1 ZINC000334260917 352893177 /nfs/dbraw/zinc/89/31/77/352893177.db2.gz WZTGGYHBVMVKLZ-UHFFFAOYSA-N 1 2 209.318 1.334 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cnn(C)c1 ZINC000379483126 538106673 /nfs/dbraw/zinc/10/66/73/538106673.db2.gz DWGQMMQRNRRLQW-RQJHMYQMSA-N 1 2 203.236 1.724 20 0 BDADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cnn(C)c1 ZINC000379483125 538106683 /nfs/dbraw/zinc/10/66/83/538106683.db2.gz DWGQMMQRNRRLQW-RNFRBKRXSA-N 1 2 203.236 1.724 20 0 BDADLO COC[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000608088079 353062315 /nfs/dbraw/zinc/06/23/15/353062315.db2.gz BLRRELRADADZQJ-NSHDSACASA-N 1 2 235.331 1.859 20 0 BDADLO C[C@@H]([NH2+]Cc1nc2ccccc2o1)C(=O)N(C)C ZINC000638873837 353043956 /nfs/dbraw/zinc/04/39/56/353043956.db2.gz MGJRKJABKDLYEQ-SECBINFHSA-N 1 2 247.298 1.394 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1nccs1 ZINC000334417536 353100775 /nfs/dbraw/zinc/10/07/75/353100775.db2.gz OVIIFEBCHDAUSP-MRVPVSSYSA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1nccs1 ZINC000334417536 353100777 /nfs/dbraw/zinc/10/07/77/353100777.db2.gz OVIIFEBCHDAUSP-MRVPVSSYSA-N 1 2 230.358 1.053 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000334417882 353101418 /nfs/dbraw/zinc/10/14/18/353101418.db2.gz RGFUIOSKRVVQAV-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000334417882 353101420 /nfs/dbraw/zinc/10/14/20/353101420.db2.gz RGFUIOSKRVVQAV-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO c1nnc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCO2)[nH]1 ZINC000329395699 538108964 /nfs/dbraw/zinc/10/89/64/538108964.db2.gz VSJIADOMKKJQIO-QWRGUYRKSA-N 1 2 236.319 1.511 20 0 BDADLO c1nnc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCO2)[nH]1 ZINC000329395699 538108965 /nfs/dbraw/zinc/10/89/65/538108965.db2.gz VSJIADOMKKJQIO-QWRGUYRKSA-N 1 2 236.319 1.511 20 0 BDADLO CC[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000189076997 538109015 /nfs/dbraw/zinc/10/90/15/538109015.db2.gz ZJXLRNLUVYZQHQ-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000189076997 538109016 /nfs/dbraw/zinc/10/90/16/538109016.db2.gz ZJXLRNLUVYZQHQ-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO CCC[C@@H](C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000638974834 353180773 /nfs/dbraw/zinc/18/07/73/353180773.db2.gz UMPASANYMPDYBB-LBPRGKRZSA-N 1 2 237.347 1.822 20 0 BDADLO CCC[C@@H](C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000638974834 353180775 /nfs/dbraw/zinc/18/07/75/353180775.db2.gz UMPASANYMPDYBB-LBPRGKRZSA-N 1 2 237.347 1.822 20 0 BDADLO CCC(O)(CC)CC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000349217892 535214782 /nfs/dbraw/zinc/21/47/82/535214782.db2.gz NNHBUTNBUBHZNG-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cc(C)[nH+]cn1 ZINC000343258819 353255141 /nfs/dbraw/zinc/25/51/41/353255141.db2.gz WJRVUKVLIHXSGG-FUVSOYRFSA-N 1 2 245.326 1.645 20 0 BDADLO COCCOCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134551612 538113034 /nfs/dbraw/zinc/11/30/34/538113034.db2.gz CFQQQGNUQAFBMO-VIFPVBQESA-N 1 2 227.308 1.032 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](O)C(C)C ZINC000134565215 538113082 /nfs/dbraw/zinc/11/30/82/538113082.db2.gz ADBYZBKPNHLUCG-KWQFWETISA-N 1 2 211.309 1.386 20 0 BDADLO CCNC(=O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC000165454609 538113999 /nfs/dbraw/zinc/11/39/99/538113999.db2.gz IKVQHSVXZGIAJR-UHFFFAOYSA-N 1 2 248.326 1.327 20 0 BDADLO CCNC(=O)C[N@@H+](C)CCC(=O)c1ccccc1 ZINC000165454609 538114000 /nfs/dbraw/zinc/11/40/00/538114000.db2.gz IKVQHSVXZGIAJR-UHFFFAOYSA-N 1 2 248.326 1.327 20 0 BDADLO CC(C)(CO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301921165 188233170 /nfs/dbraw/zinc/23/31/70/188233170.db2.gz XIKYQKANYTXVDD-UHFFFAOYSA-N 1 2 246.314 1.642 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CCN(C)C1=O ZINC000343269593 353286340 /nfs/dbraw/zinc/28/63/40/353286340.db2.gz JXRLWQDULASSDV-JTQLQIEISA-N 1 2 246.314 1.021 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CCC(C)(C)C ZINC000355684414 188237642 /nfs/dbraw/zinc/23/76/42/188237642.db2.gz UYVUZPIYKFHBIA-GFCCVEGCSA-N 1 2 239.363 1.995 20 0 BDADLO CC(=O)CCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000359402029 188241571 /nfs/dbraw/zinc/24/15/71/188241571.db2.gz UENJLXIKGLALTJ-JTQLQIEISA-N 1 2 249.314 1.143 20 0 BDADLO CC(=O)CCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000359402029 188241572 /nfs/dbraw/zinc/24/15/72/188241572.db2.gz UENJLXIKGLALTJ-JTQLQIEISA-N 1 2 249.314 1.143 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000360912610 188242211 /nfs/dbraw/zinc/24/22/11/188242211.db2.gz MHTIBVOFBMUOSS-NSHDSACASA-N 1 2 239.315 1.814 20 0 BDADLO CC(C)(O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000360912610 188242213 /nfs/dbraw/zinc/24/22/13/188242213.db2.gz MHTIBVOFBMUOSS-NSHDSACASA-N 1 2 239.315 1.814 20 0 BDADLO Cc1nc(N(C)[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000343270298 353288756 /nfs/dbraw/zinc/28/87/56/353288756.db2.gz LSESNWUQDFUTGZ-UWVGGRQHSA-N 1 2 207.277 1.135 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@H](F)C1 ZINC000360374445 188243004 /nfs/dbraw/zinc/24/30/04/188243004.db2.gz UQXQHCBMWUKDBT-UWVGGRQHSA-N 1 2 239.294 1.360 20 0 BDADLO COc1ccc(N[C@@H]2CCCOC2)[nH+]c1 ZINC000225836643 538114349 /nfs/dbraw/zinc/11/43/49/538114349.db2.gz LKASPGXIGKBRAU-SECBINFHSA-N 1 2 208.261 1.681 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@@H]2CCCOC2)[nH+]1 ZINC000343270599 353289849 /nfs/dbraw/zinc/28/98/49/353289849.db2.gz NEZJPPCJLORXGS-SNVBAGLBSA-N 1 2 246.314 1.882 20 0 BDADLO CC[C@](C)(O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000370748036 188247924 /nfs/dbraw/zinc/24/79/24/188247924.db2.gz DFHFSMJRPWOCCX-ZDUSSCGKSA-N 1 2 246.314 1.262 20 0 BDADLO CC(C)=CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374675030 188250575 /nfs/dbraw/zinc/25/05/75/188250575.db2.gz DLBISJQTDRTJRO-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO CC(C)(O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000274766429 188264307 /nfs/dbraw/zinc/26/43/07/188264307.db2.gz LKUINAOTBWUNFM-UHFFFAOYSA-N 1 2 221.304 1.927 20 0 BDADLO CC(C)[N@H+](CCCn1cc[nH+]c1)CCC(=O)[O-] ZINC000049328812 188298399 /nfs/dbraw/zinc/29/83/99/188298399.db2.gz VRWWPANJSSXVGS-UHFFFAOYSA-N 1 2 239.319 1.458 20 0 BDADLO CC(C)[N@@H+](CCCn1cc[nH+]c1)CCC(=O)[O-] ZINC000049328812 188298401 /nfs/dbraw/zinc/29/84/01/188298401.db2.gz VRWWPANJSSXVGS-UHFFFAOYSA-N 1 2 239.319 1.458 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccsc1 ZINC000090970218 188304875 /nfs/dbraw/zinc/30/48/75/188304875.db2.gz DYLMGDATKZSZSM-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CC[C@@H](CO)[NH+]1CCN(CC2CCCC2)CC1 ZINC000075957776 353330356 /nfs/dbraw/zinc/33/03/56/353330356.db2.gz ROYAAJUCSUZNID-AWEZNQCLSA-N 1 2 240.391 1.565 20 0 BDADLO Cc1cc(N2CCOC[C@H]2[C@@H]2CCCO2)nc[nH+]1 ZINC000343278314 353314005 /nfs/dbraw/zinc/31/40/05/353314005.db2.gz WXRPPEYXRIDDLY-RYUDHWBXSA-N 1 2 249.314 1.169 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@H]1O ZINC000253171532 353317218 /nfs/dbraw/zinc/31/72/18/353317218.db2.gz AODXCEAAVPBRFC-JOYOIKCWSA-N 1 2 231.299 1.770 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1Cc2ccccc21 ZINC000135489738 538115412 /nfs/dbraw/zinc/11/54/12/538115412.db2.gz ZTXIUZMXGYJDII-GFCCVEGCSA-N 1 2 241.294 1.408 20 0 BDADLO CO[C@@H](C[NH+]1CC(F)C1)C1CCOCC1 ZINC000639039354 353320060 /nfs/dbraw/zinc/32/00/60/353320060.db2.gz SKQCTEGGBRCFQS-NSHDSACASA-N 1 2 217.284 1.082 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000092017123 188318847 /nfs/dbraw/zinc/31/88/47/188318847.db2.gz IVPDIWWVBWUTMH-UWVGGRQHSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000092017123 188318849 /nfs/dbraw/zinc/31/88/49/188318849.db2.gz IVPDIWWVBWUTMH-UWVGGRQHSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)n1C ZINC000118412731 353355026 /nfs/dbraw/zinc/35/50/26/353355026.db2.gz ZYNFRFUPUXGWTG-IUCAKERBSA-N 1 2 240.376 1.449 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)n1C ZINC000118412731 353355029 /nfs/dbraw/zinc/35/50/29/353355029.db2.gz ZYNFRFUPUXGWTG-IUCAKERBSA-N 1 2 240.376 1.449 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)sn1 ZINC000639058684 353364805 /nfs/dbraw/zinc/36/48/05/353364805.db2.gz UDRFVBUODTYXHC-GHMZBOCLSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)sn1 ZINC000639058684 353364808 /nfs/dbraw/zinc/36/48/08/353364808.db2.gz UDRFVBUODTYXHC-GHMZBOCLSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)sn1 ZINC000639058694 353365253 /nfs/dbraw/zinc/36/52/53/353365253.db2.gz UGOHMTSENNVYRW-GHMZBOCLSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)sn1 ZINC000639058694 353365257 /nfs/dbraw/zinc/36/52/57/353365257.db2.gz UGOHMTSENNVYRW-GHMZBOCLSA-N 1 2 239.388 1.976 20 0 BDADLO C/C(=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000176407620 188341428 /nfs/dbraw/zinc/34/14/28/188341428.db2.gz GIZQVBPGLXNPPO-LAPSENCUSA-N 1 2 247.342 1.992 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1csnn1 ZINC000180180445 188343220 /nfs/dbraw/zinc/34/32/20/188343220.db2.gz NUGQJKGUVAAYGH-UHFFFAOYSA-N 1 2 240.357 1.669 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1csnn1 ZINC000180180445 188343222 /nfs/dbraw/zinc/34/32/22/188343222.db2.gz NUGQJKGUVAAYGH-UHFFFAOYSA-N 1 2 240.357 1.669 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC2(CO)CC2)o1 ZINC000186765744 188347933 /nfs/dbraw/zinc/34/79/33/188347933.db2.gz DCMXNKMBMMDAOW-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC2(CO)CC2)o1 ZINC000186765744 188347935 /nfs/dbraw/zinc/34/79/35/188347935.db2.gz DCMXNKMBMMDAOW-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000190037741 188350033 /nfs/dbraw/zinc/35/00/33/188350033.db2.gz CTUSXZSTZZIELR-ZDUSSCGKSA-N 1 2 249.314 1.010 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190037741 188350035 /nfs/dbraw/zinc/35/00/35/188350035.db2.gz CTUSXZSTZZIELR-ZDUSSCGKSA-N 1 2 249.314 1.010 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000193653260 188352173 /nfs/dbraw/zinc/35/21/73/188352173.db2.gz YSKNKVRXNFZYJJ-JTQLQIEISA-N 1 2 207.277 1.204 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000193653260 188352175 /nfs/dbraw/zinc/35/21/75/188352175.db2.gz YSKNKVRXNFZYJJ-JTQLQIEISA-N 1 2 207.277 1.204 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cnccc2C)CC1 ZINC000269666136 188375194 /nfs/dbraw/zinc/37/51/94/188375194.db2.gz JLNCKHOEULYXCS-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC(C)(C)OC1CC([NH2+]CC(F)(F)CO)C1 ZINC000336677720 188358374 /nfs/dbraw/zinc/35/83/74/188358374.db2.gz QHGGLCCLFQDUEL-UHFFFAOYSA-N 1 2 237.290 1.550 20 0 BDADLO CCC[C@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083974 353424317 /nfs/dbraw/zinc/42/43/17/353424317.db2.gz HTQIZODZFPSSRK-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083974 353424318 /nfs/dbraw/zinc/42/43/18/353424318.db2.gz HTQIZODZFPSSRK-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2csnn2)C1 ZINC000336717580 188359905 /nfs/dbraw/zinc/35/99/05/188359905.db2.gz YASLAWPTVIIPSB-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2csnn2)C1 ZINC000336717580 188359906 /nfs/dbraw/zinc/35/99/06/188359906.db2.gz YASLAWPTVIIPSB-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC(C)COCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000337256618 188361771 /nfs/dbraw/zinc/36/17/71/188361771.db2.gz SMIJVFJOQJKLME-LBPRGKRZSA-N 1 2 245.363 1.931 20 0 BDADLO CC(C)COCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000337256618 188361773 /nfs/dbraw/zinc/36/17/73/188361773.db2.gz SMIJVFJOQJKLME-LBPRGKRZSA-N 1 2 245.363 1.931 20 0 BDADLO Fc1ccc(C2CC([NH2+]Cc3c[nH]nn3)C2)cc1 ZINC000398344260 363223558 /nfs/dbraw/zinc/22/35/58/363223558.db2.gz OPWNWGSXSVNEFJ-UHFFFAOYSA-N 1 2 246.289 1.980 20 0 BDADLO Fc1ccc(C2CC([NH2+]Cc3cn[nH]n3)C2)cc1 ZINC000398344260 363223561 /nfs/dbraw/zinc/22/35/61/363223561.db2.gz OPWNWGSXSVNEFJ-UHFFFAOYSA-N 1 2 246.289 1.980 20 0 BDADLO COc1ccc(C[N@H+](C)CCC(F)(F)F)nn1 ZINC000338240764 188364915 /nfs/dbraw/zinc/36/49/15/188364915.db2.gz ZIJYDRRJWYDLQI-UHFFFAOYSA-N 1 2 249.236 1.869 20 0 BDADLO COc1ccc(C[N@@H+](C)CCC(F)(F)F)nn1 ZINC000338240764 188364917 /nfs/dbraw/zinc/36/49/17/188364917.db2.gz ZIJYDRRJWYDLQI-UHFFFAOYSA-N 1 2 249.236 1.869 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339091750 188367767 /nfs/dbraw/zinc/36/77/67/188367767.db2.gz SHOOASMWWMOYLC-JTQLQIEISA-N 1 2 235.331 1.610 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H](C)C[NH2+]1 ZINC000237645338 188368759 /nfs/dbraw/zinc/36/87/59/188368759.db2.gz IUXVSYXEOGQNOD-BDAKNGLRSA-N 1 2 248.330 1.110 20 0 BDADLO CC(C)[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000336347815 188368904 /nfs/dbraw/zinc/36/89/04/188368904.db2.gz TWXYQSBEHKVWOM-QMMMGPOBSA-N 1 2 208.261 1.440 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(=O)[nH]c1 ZINC000291212343 188390586 /nfs/dbraw/zinc/39/05/86/188390586.db2.gz KJIINOZLGWMFBF-UHFFFAOYSA-N 1 2 246.270 1.092 20 0 BDADLO CC(C)(O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000274987667 188379556 /nfs/dbraw/zinc/37/95/56/188379556.db2.gz ULAZVMJVLAJALK-UHFFFAOYSA-N 1 2 247.298 1.225 20 0 BDADLO Cc1nc(N2CCC(C(C)C)CC2)nc(N)[nH+]1 ZINC000393822460 353451753 /nfs/dbraw/zinc/45/17/53/353451753.db2.gz BEZUKWZBQPNGNX-UHFFFAOYSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CCC(C(C)C)CC2)[nH+]1 ZINC000393822460 353451756 /nfs/dbraw/zinc/45/17/56/353451756.db2.gz BEZUKWZBQPNGNX-UHFFFAOYSA-N 1 2 235.335 1.465 20 0 BDADLO CC=C(CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000276572491 188380519 /nfs/dbraw/zinc/38/05/19/188380519.db2.gz RYXYYXOKSYEFBL-RUDMXATFSA-N 1 2 207.277 1.691 20 0 BDADLO CC[N@H+](Cc1nc(COC)no1)C1CC1 ZINC000182029097 353454347 /nfs/dbraw/zinc/45/43/47/353454347.db2.gz GUAPSAKFKCYYRS-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO CC[N@@H+](Cc1nc(COC)no1)C1CC1 ZINC000182029097 353454349 /nfs/dbraw/zinc/45/43/49/353454349.db2.gz GUAPSAKFKCYYRS-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO CC(=O)OCCCSCCn1cc[nH+]c1 ZINC000278690268 188382017 /nfs/dbraw/zinc/38/20/17/188382017.db2.gz PWVOIARLBOEZTQ-UHFFFAOYSA-N 1 2 228.317 1.570 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC1(C)C ZINC000280552316 188383668 /nfs/dbraw/zinc/38/36/68/188383668.db2.gz KDBPODXARTXTQB-JTQLQIEISA-N 1 2 221.304 1.267 20 0 BDADLO CC(=O)CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282327008 188384396 /nfs/dbraw/zinc/38/43/96/188384396.db2.gz UOPQVUALUICOLF-UHFFFAOYSA-N 1 2 249.314 1.485 20 0 BDADLO CC(=O)CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000282597318 188384843 /nfs/dbraw/zinc/38/48/43/188384843.db2.gz WAOSLRDVKQCVLH-UHFFFAOYSA-N 1 2 245.282 1.320 20 0 BDADLO Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000282930883 188385595 /nfs/dbraw/zinc/38/55/95/188385595.db2.gz FVIMKVKPWLGBAK-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000283474422 188385797 /nfs/dbraw/zinc/38/57/97/188385797.db2.gz ISHOTZJGTNAQBV-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc(F)ccc2C)C1 ZINC000297353457 188394873 /nfs/dbraw/zinc/39/48/73/188394873.db2.gz GDBDKJVGHKELRA-UHFFFAOYSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NN1CCCC1 ZINC000297184726 188395199 /nfs/dbraw/zinc/39/51/99/188395199.db2.gz WORQDMVPVVTEPB-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CNC(=O)c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000341255411 188397701 /nfs/dbraw/zinc/39/77/01/188397701.db2.gz FVMKIAFZXSMOQQ-UHFFFAOYSA-N 1 2 245.282 1.324 20 0 BDADLO CCc1nc(C[NH2+][C@@H](CC)[C@H]2CCCO2)no1 ZINC000182347051 353470502 /nfs/dbraw/zinc/47/05/02/353470502.db2.gz FDWJGXZVPSUJKQ-VHSXEESVSA-N 1 2 239.319 1.679 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)sn1 ZINC000639093674 353471341 /nfs/dbraw/zinc/47/13/41/353471341.db2.gz NNZDZPJSDWKQQP-NXEZZACHSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)sn1 ZINC000639093674 353471343 /nfs/dbraw/zinc/47/13/43/353471343.db2.gz NNZDZPJSDWKQQP-NXEZZACHSA-N 1 2 242.344 1.033 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2conc2C2CC2)C1 ZINC000297066296 188394562 /nfs/dbraw/zinc/39/45/62/188394562.db2.gz LGAUWZQBGWANIZ-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO Cc1cc(N2CCC[C@H](CO)CC2)c(C#N)c[nH+]1 ZINC000399016551 353588317 /nfs/dbraw/zinc/58/83/17/353588317.db2.gz CJXKONXUWACXHE-LBPRGKRZSA-N 1 2 245.326 1.861 20 0 BDADLO CCc1nc(NCCc2nc[nH]n2)cc(C)[nH+]1 ZINC000287820112 353588666 /nfs/dbraw/zinc/58/86/66/353588666.db2.gz KTTHDVURKGKDSC-UHFFFAOYSA-N 1 2 232.291 1.120 20 0 BDADLO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccon2)C1=O ZINC000349246572 535238790 /nfs/dbraw/zinc/23/87/90/535238790.db2.gz TUCJVNMEQFDGLN-GXSJLCMTSA-N 1 2 237.303 1.335 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@H]1CCOC1 ZINC000162967702 324175587 /nfs/dbraw/zinc/17/55/87/324175587.db2.gz BSVDEGRXDWNREC-ZJUUUORDSA-N 1 2 222.288 1.927 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]Cc2cn(C)nc2C)o1 ZINC000231530893 353618612 /nfs/dbraw/zinc/61/86/12/353618612.db2.gz GJPOTEVSJDVWCR-JTQLQIEISA-N 1 2 234.303 1.876 20 0 BDADLO Fc1cccc(C[NH2+]Cc2ncc[nH]2)c1F ZINC000070646326 180998607 /nfs/dbraw/zinc/99/86/07/180998607.db2.gz XZGDXDLKESRLNE-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO Fc1cccc(CNCc2[nH]cc[nH+]2)c1F ZINC000070646326 180998608 /nfs/dbraw/zinc/99/86/08/180998608.db2.gz XZGDXDLKESRLNE-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000194455788 353662912 /nfs/dbraw/zinc/66/29/12/353662912.db2.gz SGOZSZWYXIDGKS-WDEREUQCSA-N 1 2 238.335 1.617 20 0 BDADLO Fc1cccc(F)c1CNCc1[nH]cc[nH+]1 ZINC000070646308 181000608 /nfs/dbraw/zinc/00/06/08/181000608.db2.gz AVVYYOCOJGCQQY-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000577929288 366106516 /nfs/dbraw/zinc/10/65/16/366106516.db2.gz MLCSBKHBCOLFHH-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO CCn1ncnc1C[NH+]1CC(C(C)C)C1 ZINC000639118182 353750187 /nfs/dbraw/zinc/75/01/87/353750187.db2.gz OHNMLFYFSZQWOU-UHFFFAOYSA-N 1 2 208.309 1.386 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCC(F)(F)F ZINC000608245528 353759651 /nfs/dbraw/zinc/75/96/51/353759651.db2.gz QQJNYGNBIREMAD-UHFFFAOYSA-N 1 2 249.236 1.732 20 0 BDADLO CO[C@](C)(C[N@H+](CCO)CC(F)F)C1CC1 ZINC000639123192 353784436 /nfs/dbraw/zinc/78/44/36/353784436.db2.gz KIYYRNRHRSHRKK-LLVKDONJSA-N 1 2 237.290 1.361 20 0 BDADLO CO[C@](C)(C[N@@H+](CCO)CC(F)F)C1CC1 ZINC000639123192 353784438 /nfs/dbraw/zinc/78/44/38/353784438.db2.gz KIYYRNRHRSHRKK-LLVKDONJSA-N 1 2 237.290 1.361 20 0 BDADLO Fc1cncc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000275178800 181019565 /nfs/dbraw/zinc/01/95/65/181019565.db2.gz ZZSZILVJUKGGGY-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cncc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000275178800 181019568 /nfs/dbraw/zinc/01/95/68/181019568.db2.gz ZZSZILVJUKGGGY-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO COCC[N@H+](Cc1ccns1)[C@@H]1CCOC1 ZINC000639131036 353839707 /nfs/dbraw/zinc/83/97/07/353839707.db2.gz DDUJPBOSJSIPTI-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COCC[N@@H+](Cc1ccns1)[C@@H]1CCOC1 ZINC000639131036 353839709 /nfs/dbraw/zinc/83/97/09/353839709.db2.gz DDUJPBOSJSIPTI-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO Cc1cc(N2CCC[C@]23CCOC3)nc[nH+]1 ZINC000343667915 353945296 /nfs/dbraw/zinc/94/52/96/353945296.db2.gz NHVABNCIBUCBHZ-GFCCVEGCSA-N 1 2 219.288 1.544 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1nnc(C)o1 ZINC000343652628 353954508 /nfs/dbraw/zinc/95/45/08/353954508.db2.gz SZUSQYZMRPMHDK-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1nnc(C)o1 ZINC000343652628 353954511 /nfs/dbraw/zinc/95/45/11/353954511.db2.gz SZUSQYZMRPMHDK-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](C)[C@@H]1C ZINC000178583761 366142898 /nfs/dbraw/zinc/14/28/98/366142898.db2.gz XIDHBYUMLBOPEZ-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CO[C@@H](C)CN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000343810496 354011860 /nfs/dbraw/zinc/01/18/60/354011860.db2.gz OUKIEOLFINHYKZ-QMMMGPOBSA-N 1 2 234.303 1.737 20 0 BDADLO Cc1nc(NCc2nnc(C(C)C)s2)cc[nH+]1 ZINC000343875553 354029929 /nfs/dbraw/zinc/02/99/29/354029929.db2.gz GWZSFGCLFOCOIK-UHFFFAOYSA-N 1 2 249.343 1.794 20 0 BDADLO Cc1cc(N2CCOC[C@H]2CC(F)F)nc[nH+]1 ZINC000343906216 354036748 /nfs/dbraw/zinc/03/67/48/354036748.db2.gz DCNBSMJDWKZMEV-SECBINFHSA-N 1 2 243.257 1.645 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000334566399 354088156 /nfs/dbraw/zinc/08/81/56/354088156.db2.gz VUAJTIUZDURNCA-VIFPVBQESA-N 1 2 243.328 1.667 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000334566399 354088160 /nfs/dbraw/zinc/08/81/60/354088160.db2.gz VUAJTIUZDURNCA-VIFPVBQESA-N 1 2 243.328 1.667 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc[nH+]c(C(C)C)n2)[nH]1 ZINC000343931297 354045895 /nfs/dbraw/zinc/04/58/95/354045895.db2.gz FKFIXAPRMYOCIG-QMMMGPOBSA-N 1 2 246.318 1.622 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343937378 354047680 /nfs/dbraw/zinc/04/76/80/354047680.db2.gz YCMDFAMZNWFKGT-SCVCMEIPSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000343980044 354057526 /nfs/dbraw/zinc/05/75/26/354057526.db2.gz HDEHKCSVEZRISJ-ONGXEEELSA-N 1 2 221.304 1.267 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000334566398 354087739 /nfs/dbraw/zinc/08/77/39/354087739.db2.gz VUAJTIUZDURNCA-SECBINFHSA-N 1 2 243.328 1.667 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000334566398 354087741 /nfs/dbraw/zinc/08/77/41/354087741.db2.gz VUAJTIUZDURNCA-SECBINFHSA-N 1 2 243.328 1.667 20 0 BDADLO Cn1cc(C[N@@H+]2CCc3ccccc3C2)nn1 ZINC000334568955 354093905 /nfs/dbraw/zinc/09/39/05/354093905.db2.gz GMJDXGRUYAFDLK-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1cc(C[N@H+]2CCc3ccccc3C2)nn1 ZINC000334568955 354093907 /nfs/dbraw/zinc/09/39/07/354093907.db2.gz GMJDXGRUYAFDLK-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO C[C@H](O)C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000334560314 354112026 /nfs/dbraw/zinc/11/20/26/354112026.db2.gz LYHZQCMGLPOGDW-NSHDSACASA-N 1 2 230.311 1.838 20 0 BDADLO C[C@H](O)C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000334560314 354112031 /nfs/dbraw/zinc/11/20/31/354112031.db2.gz LYHZQCMGLPOGDW-NSHDSACASA-N 1 2 230.311 1.838 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccncc1 ZINC000344112789 354140667 /nfs/dbraw/zinc/14/06/67/354140667.db2.gz AFIKAYMDANUOOI-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)s1 ZINC000344155153 354156642 /nfs/dbraw/zinc/15/66/42/354156642.db2.gz JZEPZIWERXSVQN-PSASIEDQSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)s1 ZINC000344155153 354156645 /nfs/dbraw/zinc/15/66/45/354156645.db2.gz JZEPZIWERXSVQN-PSASIEDQSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1csc(C[NH2+][C@@H](C)C(=O)NC(C)C)n1 ZINC000038091560 358483480 /nfs/dbraw/zinc/48/34/80/358483480.db2.gz XJKBLJDKCIFORU-VIFPVBQESA-N 1 2 241.360 1.454 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000449720238 202008156 /nfs/dbraw/zinc/00/81/56/202008156.db2.gz RXABTVVNBXXQDG-GHMZBOCLSA-N 1 2 242.344 1.345 20 0 BDADLO CCC[C@@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000344217455 354180927 /nfs/dbraw/zinc/18/09/27/354180927.db2.gz UGPCZOOEFJFWOS-GFCCVEGCSA-N 1 2 242.363 1.261 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccno1 ZINC000334584461 354207229 /nfs/dbraw/zinc/20/72/29/354207229.db2.gz QSNKZNOZVPSRIO-LLVKDONJSA-N 1 2 223.276 1.954 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccno1 ZINC000334584461 354207232 /nfs/dbraw/zinc/20/72/32/354207232.db2.gz QSNKZNOZVPSRIO-LLVKDONJSA-N 1 2 223.276 1.954 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000344467046 354266354 /nfs/dbraw/zinc/26/63/54/354266354.db2.gz QJRKFOIXTCRDAL-MMWGEVLESA-N 1 2 243.347 1.587 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000334596528 354230073 /nfs/dbraw/zinc/23/00/73/354230073.db2.gz FCMJKKOQMRGRDD-STQMWFEESA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000334596528 354230077 /nfs/dbraw/zinc/23/00/77/354230077.db2.gz FCMJKKOQMRGRDD-STQMWFEESA-N 1 2 235.331 1.656 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000334596528 354230079 /nfs/dbraw/zinc/23/00/79/354230079.db2.gz FCMJKKOQMRGRDD-STQMWFEESA-N 1 2 235.331 1.656 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000334596234 354230313 /nfs/dbraw/zinc/23/03/13/354230313.db2.gz MIEYOZXNTJKIDK-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO COC1(C)C[NH+](Cc2c3c(nn2C)CCCC3)C1 ZINC000639179294 354270869 /nfs/dbraw/zinc/27/08/69/354270869.db2.gz DKFHYBCHHWTWER-UHFFFAOYSA-N 1 2 249.358 1.520 20 0 BDADLO COC1(C)C[NH+](Cc2c[nH]c3ncncc23)C1 ZINC000639180558 354281398 /nfs/dbraw/zinc/28/13/98/354281398.db2.gz METSJIHWPIJFQB-UHFFFAOYSA-N 1 2 232.287 1.130 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334633053 354376862 /nfs/dbraw/zinc/37/68/62/354376862.db2.gz GWGCTORQUGGTCZ-CMPLNLGQSA-N 1 2 246.310 1.695 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334633053 354376864 /nfs/dbraw/zinc/37/68/64/354376864.db2.gz GWGCTORQUGGTCZ-CMPLNLGQSA-N 1 2 246.310 1.695 20 0 BDADLO CO[C@@H](CCNc1cc[nH+]c(C)n1)C(F)(F)F ZINC000344986097 354388600 /nfs/dbraw/zinc/38/86/00/354388600.db2.gz LEPGDMZNBVLMLC-QMMMGPOBSA-N 1 2 249.236 1.586 20 0 BDADLO CCC1CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000334685681 354432241 /nfs/dbraw/zinc/43/22/41/354432241.db2.gz VRLONYCLRACUNR-UHFFFAOYSA-N 1 2 219.288 1.686 20 0 BDADLO CC1(CO)C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000334644117 354401371 /nfs/dbraw/zinc/40/13/71/354401371.db2.gz FSBINXSMQIGJDQ-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)nc1 ZINC000335926193 134009205 /nfs/dbraw/zinc/00/92/05/134009205.db2.gz BUFARPKKRRPQQS-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)nc1 ZINC000335926193 134009206 /nfs/dbraw/zinc/00/92/06/134009206.db2.gz BUFARPKKRRPQQS-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO CCC[C@@H]1CN(Cc2[nH+]ccn2CC)CCO1 ZINC000179150712 366211404 /nfs/dbraw/zinc/21/14/04/366211404.db2.gz CJMDGOXSRDGTFB-GFCCVEGCSA-N 1 2 237.347 1.904 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(Cl)cn1 ZINC000334658801 354455229 /nfs/dbraw/zinc/45/52/29/354455229.db2.gz BUPHULJAWGECGS-UHFFFAOYSA-N 1 2 223.663 1.988 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2ccsc2Cl)C1 ZINC000334735113 354535891 /nfs/dbraw/zinc/53/58/91/354535891.db2.gz MDYYSIVOZRVPII-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000334735113 354535895 /nfs/dbraw/zinc/53/58/95/354535895.db2.gz MDYYSIVOZRVPII-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2occ3c2CCC3)C1 ZINC000334698620 354490580 /nfs/dbraw/zinc/49/05/80/354490580.db2.gz INNMQFHNCPIZSI-UHFFFAOYSA-N 1 2 248.326 1.591 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000334700386 354492994 /nfs/dbraw/zinc/49/29/94/354492994.db2.gz IAMBGEWQERKKGZ-NSHDSACASA-N 1 2 236.290 1.977 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](F)C2)cc1 ZINC000334700386 354492995 /nfs/dbraw/zinc/49/29/95/354492995.db2.gz IAMBGEWQERKKGZ-NSHDSACASA-N 1 2 236.290 1.977 20 0 BDADLO CCN1CC[N@H+](Cc2cccn2C)[C@@H](C)C1=O ZINC000334708020 354502287 /nfs/dbraw/zinc/50/22/87/354502287.db2.gz NAAYJUQTCIQATI-NSHDSACASA-N 1 2 235.331 1.078 20 0 BDADLO CCN1CC[N@@H+](Cc2cccn2C)[C@@H](C)C1=O ZINC000334708020 354502289 /nfs/dbraw/zinc/50/22/89/354502289.db2.gz NAAYJUQTCIQATI-NSHDSACASA-N 1 2 235.331 1.078 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC1)C2 ZINC000334707798 354502739 /nfs/dbraw/zinc/50/27/39/354502739.db2.gz KWGPEEYHLLIKMC-UHFFFAOYSA-N 1 2 230.311 1.589 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC1CC1)C2 ZINC000334707798 354502741 /nfs/dbraw/zinc/50/27/41/354502741.db2.gz KWGPEEYHLLIKMC-UHFFFAOYSA-N 1 2 230.311 1.589 20 0 BDADLO Cc1cc(C)c(NC(=O)N[C@@H](C)CO)c(C)[nH+]1 ZINC000334714447 354512654 /nfs/dbraw/zinc/51/26/54/354512654.db2.gz GAMQQKBDVUUQQY-VIFPVBQESA-N 1 2 237.303 1.509 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000580403920 358487902 /nfs/dbraw/zinc/48/79/02/358487902.db2.gz MBJZSVWYUZOIJP-ZYHUDNBSSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](F)C2)C1=O ZINC000334808611 354565522 /nfs/dbraw/zinc/56/55/22/354565522.db2.gz GRMNSBMSZJYYJM-VHSXEESVSA-N 1 2 214.284 1.040 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](F)C2)C1=O ZINC000334808611 354565526 /nfs/dbraw/zinc/56/55/26/354565526.db2.gz GRMNSBMSZJYYJM-VHSXEESVSA-N 1 2 214.284 1.040 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000580403920 358487905 /nfs/dbraw/zinc/48/79/05/358487905.db2.gz MBJZSVWYUZOIJP-ZYHUDNBSSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000334755340 354576846 /nfs/dbraw/zinc/57/68/46/354576846.db2.gz XMISRNLVGGAFST-KWQFWETISA-N 1 2 236.319 1.854 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000334755340 354576847 /nfs/dbraw/zinc/57/68/47/354576847.db2.gz XMISRNLVGGAFST-KWQFWETISA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000334755340 354576850 /nfs/dbraw/zinc/57/68/50/354576850.db2.gz XMISRNLVGGAFST-KWQFWETISA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000334755340 354576852 /nfs/dbraw/zinc/57/68/52/354576852.db2.gz XMISRNLVGGAFST-KWQFWETISA-N 1 2 236.319 1.854 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(C)cc1F ZINC000639203917 354643123 /nfs/dbraw/zinc/64/31/23/354643123.db2.gz NBXVZSVMUXWFGF-UHFFFAOYSA-N 1 2 238.306 1.831 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(C)cc1F ZINC000639203917 354643124 /nfs/dbraw/zinc/64/31/24/354643124.db2.gz NBXVZSVMUXWFGF-UHFFFAOYSA-N 1 2 238.306 1.831 20 0 BDADLO Cc1ccc(Cc2nc(-c3nc[nH]n3)no2)c[nH+]1 ZINC000345458826 354660556 /nfs/dbraw/zinc/66/05/56/354660556.db2.gz QVNCTVIAIQLIAZ-UHFFFAOYSA-N 1 2 242.242 1.149 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000335089447 354624127 /nfs/dbraw/zinc/62/41/27/354624127.db2.gz FTXJJOLJZZIPKO-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCC[C@@H](F)C1 ZINC000335116917 354707036 /nfs/dbraw/zinc/70/70/36/354707036.db2.gz ROUBLTNUTNVZMQ-RKDXNWHRSA-N 1 2 238.262 1.676 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1CCC[C@@H](F)C1 ZINC000335116914 354707204 /nfs/dbraw/zinc/70/72/04/354707204.db2.gz ROUBLTNUTNVZMQ-DTWKUNHWSA-N 1 2 238.262 1.676 20 0 BDADLO CC(C)n1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000345589053 354723283 /nfs/dbraw/zinc/72/32/83/354723283.db2.gz FWCIXSDXQGNGAC-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000345589901 354724144 /nfs/dbraw/zinc/72/41/44/354724144.db2.gz HNDVATPKLMNYHX-VHSXEESVSA-N 1 2 221.304 1.505 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CC[C@H]1CCCO1 ZINC000345730172 354746793 /nfs/dbraw/zinc/74/67/93/354746793.db2.gz YXNGDXPTVJUEOH-BZNIZROVSA-N 1 2 242.344 1.238 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOC(C)(C)C ZINC000345746520 354750330 /nfs/dbraw/zinc/75/03/30/354750330.db2.gz VQXDEMANOSUFHJ-UVWXRNBGSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOC(C)(C)C ZINC000345746520 354750332 /nfs/dbraw/zinc/75/03/32/354750332.db2.gz VQXDEMANOSUFHJ-UVWXRNBGSA-N 1 2 247.404 1.643 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC000335127184 354772080 /nfs/dbraw/zinc/77/20/80/354772080.db2.gz MENNQRUPDQECBZ-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC000335127184 354772083 /nfs/dbraw/zinc/77/20/83/354772083.db2.gz MENNQRUPDQECBZ-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000335134048 354782290 /nfs/dbraw/zinc/78/22/90/354782290.db2.gz NIQSZXUHDIECLX-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000335134048 354782291 /nfs/dbraw/zinc/78/22/91/354782291.db2.gz NIQSZXUHDIECLX-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCSC1)C1CC1 ZINC000234542590 363423540 /nfs/dbraw/zinc/42/35/40/363423540.db2.gz LDNOVAPVMXOHIU-DTWKUNHWSA-N 1 2 215.318 1.033 20 0 BDADLO CC[C@@H](NC(=O)c1cnnc(C)c1)c1[nH]cc[nH+]1 ZINC000346249220 354878880 /nfs/dbraw/zinc/87/88/80/354878880.db2.gz IOAXQWIWCAVHCS-SNVBAGLBSA-N 1 2 245.286 1.389 20 0 BDADLO c1cn(CCc2nc(C3CCOCC3)no2)c[nH+]1 ZINC000349843228 366234851 /nfs/dbraw/zinc/23/48/51/366234851.db2.gz GEPKJYCTIAEVMX-UHFFFAOYSA-N 1 2 248.286 1.403 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC[C@@H](O)C1 ZINC000346344844 354901427 /nfs/dbraw/zinc/90/14/27/354901427.db2.gz YDQDDXDDIKQIGP-DTWKUNHWSA-N 1 2 236.271 1.190 20 0 BDADLO CC(C)(C(=O)NCCn1cccc1)c1c[nH]c[nH+]1 ZINC000346376508 354904069 /nfs/dbraw/zinc/90/40/69/354904069.db2.gz JGKUCPMYYMMIGO-UHFFFAOYSA-N 1 2 246.314 1.305 20 0 BDADLO CCOCCOC1CN(c2cc(C)[nH+]cn2)C1 ZINC000346412553 354916325 /nfs/dbraw/zinc/91/63/25/354916325.db2.gz ALSGEUXYKCHMJY-UHFFFAOYSA-N 1 2 237.303 1.027 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000335955033 134022882 /nfs/dbraw/zinc/02/28/82/134022882.db2.gz QJIBAPNEGXQQBZ-IUCAKERBSA-N 1 2 222.292 1.018 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)nn1C ZINC000346497342 354960494 /nfs/dbraw/zinc/96/04/94/354960494.db2.gz WGUJYTJATZVJCW-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCC3)C2)nn1C ZINC000346497342 354960495 /nfs/dbraw/zinc/96/04/95/354960495.db2.gz WGUJYTJATZVJCW-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000335176807 354945882 /nfs/dbraw/zinc/94/58/82/354945882.db2.gz QJANYLWQBRHYHJ-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000335176807 354945886 /nfs/dbraw/zinc/94/58/86/354945886.db2.gz QJANYLWQBRHYHJ-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO CC(=O)CCCC(=O)NCc1[nH]c[nH+]c1C ZINC000351984763 134026207 /nfs/dbraw/zinc/02/62/07/134026207.db2.gz ZPRAPQHGVTULFV-UHFFFAOYSA-N 1 2 223.276 1.094 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCOC1 ZINC000335204980 355039721 /nfs/dbraw/zinc/03/97/21/355039721.db2.gz JFYYBZHVIDLZDD-JTQLQIEISA-N 1 2 220.272 1.673 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000335206747 355042085 /nfs/dbraw/zinc/04/20/85/355042085.db2.gz DFUQPBMZQWCKAA-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO CN(c1[nH+]c2ccc(F)cc2n1C)[C@H]1CCOC1 ZINC000335227740 355069317 /nfs/dbraw/zinc/06/93/17/355069317.db2.gz DKRDUKCPYYRFFT-JTQLQIEISA-N 1 2 249.289 1.938 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCCC1 ZINC000335231352 355091886 /nfs/dbraw/zinc/09/18/86/355091886.db2.gz SCRBKTPAXAGODE-JTQLQIEISA-N 1 2 236.319 1.769 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000449754665 202023366 /nfs/dbraw/zinc/02/33/66/202023366.db2.gz KIRXIVJVIYTMPQ-GHMZBOCLSA-N 1 2 209.293 1.457 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000346825371 355126554 /nfs/dbraw/zinc/12/65/54/355126554.db2.gz MNOQWYFVBZOHLP-ZJUUUORDSA-N 1 2 238.335 1.375 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000346825371 355126557 /nfs/dbraw/zinc/12/65/57/355126557.db2.gz MNOQWYFVBZOHLP-ZJUUUORDSA-N 1 2 238.335 1.375 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346837339 355131515 /nfs/dbraw/zinc/13/15/15/355131515.db2.gz XSYFPXMNTVSFOT-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000346837339 355131517 /nfs/dbraw/zinc/13/15/17/355131517.db2.gz XSYFPXMNTVSFOT-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO O=C(CNc1cccc(F)c1)NCc1[nH]cc[nH+]1 ZINC000346918264 355154418 /nfs/dbraw/zinc/15/44/18/355154418.db2.gz ASKSIOQWZCZFCR-UHFFFAOYSA-N 1 2 248.261 1.277 20 0 BDADLO Cc1cc(N2CCCO[C@@H](C)C2)nc[nH+]1 ZINC000346971833 355208375 /nfs/dbraw/zinc/20/83/75/355208375.db2.gz BIHCIQZQXXNXLH-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO C[C@H]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC000346978234 355212788 /nfs/dbraw/zinc/21/27/88/355212788.db2.gz KVFLLDNZJSWXDJ-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO COC[C@@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413087960 191356170 /nfs/dbraw/zinc/35/61/70/191356170.db2.gz ZYZTWPDTLWCJGQ-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO COC[C@@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413087960 191356173 /nfs/dbraw/zinc/35/61/73/191356173.db2.gz ZYZTWPDTLWCJGQ-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413119529 191356564 /nfs/dbraw/zinc/35/65/64/191356564.db2.gz ONIFRNWAJXKHEC-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO CO[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413119529 191356566 /nfs/dbraw/zinc/35/65/66/191356566.db2.gz ONIFRNWAJXKHEC-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO CCC[C@H](C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000639234559 355218453 /nfs/dbraw/zinc/21/84/53/355218453.db2.gz KLJHBWLLERWJON-VHSXEESVSA-N 1 2 239.306 1.749 20 0 BDADLO CCC[C@H](C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000639234559 355218456 /nfs/dbraw/zinc/21/84/56/355218456.db2.gz KLJHBWLLERWJON-VHSXEESVSA-N 1 2 239.306 1.749 20 0 BDADLO C[C@@H](CO)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413080093 191354371 /nfs/dbraw/zinc/35/43/71/191354371.db2.gz YAIZPCAWRPNGDO-MRVPVSSYSA-N 1 2 222.292 1.091 20 0 BDADLO C[C@@H](CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413080093 191354373 /nfs/dbraw/zinc/35/43/73/191354373.db2.gz YAIZPCAWRPNGDO-MRVPVSSYSA-N 1 2 222.292 1.091 20 0 BDADLO CC(C)c1nc(N[C@H](C)c2ccn(C)n2)cc[nH+]1 ZINC000413462750 191382706 /nfs/dbraw/zinc/38/27/06/191382706.db2.gz QNHPPONRUHQDGJ-SNVBAGLBSA-N 1 2 245.330 1.929 20 0 BDADLO CCc1nc(N2CCO[C@H](CF)C2)cc(C)[nH+]1 ZINC000413478026 191386747 /nfs/dbraw/zinc/38/67/47/191386747.db2.gz QVWORSIKYVDHSK-SNVBAGLBSA-N 1 2 239.294 1.522 20 0 BDADLO Cc1cc(N2CCO[C@H](C3CCC3)C2)nc[nH+]1 ZINC000413477189 191387209 /nfs/dbraw/zinc/38/72/09/191387209.db2.gz NFWRCLZDPGZNCZ-LBPRGKRZSA-N 1 2 233.315 1.790 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H](C)O[C@@H]2C)cc[nH+]1 ZINC000413531577 191392886 /nfs/dbraw/zinc/39/28/86/191392886.db2.gz LYOXCKNRJRRGCC-NGZCFLSTSA-N 1 2 221.304 1.432 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H](O)C(C)C ZINC000413542308 191395375 /nfs/dbraw/zinc/39/53/75/191395375.db2.gz NQMLGJRWYGUZMH-AAEUAGOBSA-N 1 2 249.358 1.983 20 0 BDADLO CN(CCCCO)c1cc(NC2CC2)[nH+]cn1 ZINC000413256839 191366451 /nfs/dbraw/zinc/36/64/51/191366451.db2.gz NGRZAHGTQGWSIP-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CN(CCCCO)c1cc(NC2CC2)nc[nH+]1 ZINC000413256839 191366454 /nfs/dbraw/zinc/36/64/54/191366454.db2.gz NGRZAHGTQGWSIP-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[C@@H]1O ZINC000413254909 191366874 /nfs/dbraw/zinc/36/68/74/191366874.db2.gz ZUYZNYFJIWQYQW-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC[C@@H]1O ZINC000413254909 191366876 /nfs/dbraw/zinc/36/68/76/191366876.db2.gz ZUYZNYFJIWQYQW-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nc(N2CCC[C@@H](CO)[C@H]2C)cc[nH+]1 ZINC000413591723 191398247 /nfs/dbraw/zinc/39/82/47/191398247.db2.gz JGDZXIGQSOCWFY-KOLCDFICSA-N 1 2 221.304 1.382 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@@H]2C)nc[nH+]1 ZINC000413299497 191370478 /nfs/dbraw/zinc/37/04/78/191370478.db2.gz UOAAIRYBFAGTFA-LPEHRKFASA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@@H]2C)[nH+]cn1 ZINC000413299497 191370481 /nfs/dbraw/zinc/37/04/81/191370481.db2.gz UOAAIRYBFAGTFA-LPEHRKFASA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC[C@@H]2C)nc[nH+]1 ZINC000413299493 191370501 /nfs/dbraw/zinc/37/05/01/191370501.db2.gz UOAAIRYBFAGTFA-GUBZILKMSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC[C@@H]2C)[nH+]cn1 ZINC000413299493 191370502 /nfs/dbraw/zinc/37/05/02/191370502.db2.gz UOAAIRYBFAGTFA-GUBZILKMSA-N 1 2 236.319 1.480 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000413389465 191378075 /nfs/dbraw/zinc/37/80/75/191378075.db2.gz UQDZVCJFFQOZKE-PHIMTYICSA-N 1 2 233.315 1.755 20 0 BDADLO CC1(O)C[NH+](Cc2scnc2C2CC2)C1 ZINC000639253528 355291480 /nfs/dbraw/zinc/29/14/80/355291480.db2.gz JAVQWHAELKKALJ-UHFFFAOYSA-N 1 2 224.329 1.587 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3c(n2)CCC3)C1 ZINC000639253738 355291954 /nfs/dbraw/zinc/29/19/54/355291954.db2.gz QEZIBQCDCUJKBG-UHFFFAOYSA-N 1 2 218.300 1.137 20 0 BDADLO C[C@H]([N@H+](C)Cc1noc(C2CC2)n1)C(C)(C)O ZINC000394964483 355334320 /nfs/dbraw/zinc/33/43/20/355334320.db2.gz RNMLVPCMVFCGNN-QMMMGPOBSA-N 1 2 239.319 1.538 20 0 BDADLO C[C@H]([N@@H+](C)Cc1noc(C2CC2)n1)C(C)(C)O ZINC000394964483 355334323 /nfs/dbraw/zinc/33/43/23/355334323.db2.gz RNMLVPCMVFCGNN-QMMMGPOBSA-N 1 2 239.319 1.538 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ccon2)cn1 ZINC000349240485 355374012 /nfs/dbraw/zinc/37/40/12/355374012.db2.gz MIAHSQLYDFCIMP-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1c(O)cccc1F ZINC000608366475 355378953 /nfs/dbraw/zinc/37/89/53/355378953.db2.gz KVRVMUCEPDSIQT-UHFFFAOYSA-N 1 2 249.245 1.757 20 0 BDADLO COCCSc1cc(-n2cc[nH+]c2)ncn1 ZINC000608369390 355380697 /nfs/dbraw/zinc/38/06/97/355380697.db2.gz PEUNZCBNXMHVSS-UHFFFAOYSA-N 1 2 236.300 1.401 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)(C)C ZINC000583506836 355341014 /nfs/dbraw/zinc/34/10/14/355341014.db2.gz CYZLNJVQOXRWSX-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000335777415 355403072 /nfs/dbraw/zinc/40/30/72/355403072.db2.gz XIOLBCRUIXPONZ-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO COCC1(C)CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000335779200 355406041 /nfs/dbraw/zinc/40/60/41/355406041.db2.gz AZKBEFNHIJXVLF-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2[nH]c[nH+]c2C)[nH]1 ZINC000335782811 355430528 /nfs/dbraw/zinc/43/05/28/355430528.db2.gz YKSFXJDEJSDCAM-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO O=C(C1=CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000335792748 355446091 /nfs/dbraw/zinc/44/60/91/355446091.db2.gz RLVWQQWSKXVVNV-UHFFFAOYSA-N 1 2 243.310 1.450 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cncs1 ZINC000335800278 355492795 /nfs/dbraw/zinc/49/27/95/355492795.db2.gz MDJKKBZBDGROOE-SFYZADRCSA-N 1 2 216.281 1.048 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cncs1 ZINC000335800278 355492796 /nfs/dbraw/zinc/49/27/96/355492796.db2.gz MDJKKBZBDGROOE-SFYZADRCSA-N 1 2 216.281 1.048 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc3c(c2)CCC3)n1 ZINC000349858422 355503738 /nfs/dbraw/zinc/50/37/38/355503738.db2.gz XCPJPUZKSZHYLZ-UHFFFAOYSA-N 1 2 243.310 1.869 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC(C)(C)C1 ZINC000335805330 355475563 /nfs/dbraw/zinc/47/55/63/355475563.db2.gz NEPINMSPOOLJPR-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC(C)(C)C1 ZINC000335805330 355475564 /nfs/dbraw/zinc/47/55/64/355475564.db2.gz NEPINMSPOOLJPR-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000087620168 355547825 /nfs/dbraw/zinc/54/78/25/355547825.db2.gz JGSLLAYMGDKULH-SCZZXKLOSA-N 1 2 217.334 1.423 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335817123 355506758 /nfs/dbraw/zinc/50/67/58/355506758.db2.gz LSKSVPGXZZZCQH-GHMZBOCLSA-N 1 2 235.331 1.606 20 0 BDADLO CCOc1ccc(Cc2nc(C[NH2+]C)no2)cc1 ZINC000349907962 355524097 /nfs/dbraw/zinc/52/40/97/355524097.db2.gz JABSTJHPEVZJTQ-UHFFFAOYSA-N 1 2 247.298 1.779 20 0 BDADLO O=C(Nc1ccc(O)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335842141 355586374 /nfs/dbraw/zinc/58/63/74/355586374.db2.gz FRPRIPCJUFHJEY-VIFPVBQESA-N 1 2 242.225 1.328 20 0 BDADLO CCC[N@H+](C)Cc1nc(C(C)(C)OC)no1 ZINC000350481308 355709473 /nfs/dbraw/zinc/70/94/73/355709473.db2.gz PMKNJCXJADBART-UHFFFAOYSA-N 1 2 227.308 1.793 20 0 BDADLO CCC[N@@H+](C)Cc1nc(C(C)(C)OC)no1 ZINC000350481308 355709477 /nfs/dbraw/zinc/70/94/77/355709477.db2.gz PMKNJCXJADBART-UHFFFAOYSA-N 1 2 227.308 1.793 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]1c1ccccc1 ZINC000583598477 355718851 /nfs/dbraw/zinc/71/88/51/355718851.db2.gz SSFZDTQNQNZLJA-CYBMUJFWSA-N 1 2 241.294 1.857 20 0 BDADLO Cn1ncc2c1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000639319675 355719739 /nfs/dbraw/zinc/71/97/39/355719739.db2.gz GISVATSOULUVKJ-JTQLQIEISA-N 1 2 221.304 1.162 20 0 BDADLO Cn1ncc2c1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000639319675 355719740 /nfs/dbraw/zinc/71/97/40/355719740.db2.gz GISVATSOULUVKJ-JTQLQIEISA-N 1 2 221.304 1.162 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000639333635 355763233 /nfs/dbraw/zinc/76/32/33/355763233.db2.gz YITAVGRMXFSBID-MFKMUULPSA-N 1 2 246.314 1.027 20 0 BDADLO COc1cc(C[NH2+]Cc2ccc(C)cn2)on1 ZINC000639324763 355724354 /nfs/dbraw/zinc/72/43/54/355724354.db2.gz OSCUCKZFBXUUMU-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CO[C@@H](C[NH2+]Cc1c[nH]nn1)C1CCCCC1 ZINC000639342300 355785022 /nfs/dbraw/zinc/78/50/22/355785022.db2.gz URQNBHJTCMMQEG-LBPRGKRZSA-N 1 2 238.335 1.490 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cn[nH]n1)C1CCCCC1 ZINC000639342300 355785023 /nfs/dbraw/zinc/78/50/23/355785023.db2.gz URQNBHJTCMMQEG-LBPRGKRZSA-N 1 2 238.335 1.490 20 0 BDADLO c1cc(C[N@@H+]2CCc3n[nH]cc3C2)sn1 ZINC000639344050 355787570 /nfs/dbraw/zinc/78/75/70/355787570.db2.gz PUTSOKZOFRYXOX-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO c1cc(C[N@H+]2CCc3n[nH]cc3C2)sn1 ZINC000639344050 355787572 /nfs/dbraw/zinc/78/75/72/355787572.db2.gz PUTSOKZOFRYXOX-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccsc2)C[C@H](CO)O1 ZINC000191783678 355849097 /nfs/dbraw/zinc/84/90/97/355849097.db2.gz UQQNNZZKLZOXOE-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccsc2)C[C@H](CO)O1 ZINC000191783678 355849099 /nfs/dbraw/zinc/84/90/99/355849099.db2.gz UQQNNZZKLZOXOE-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]nn1)C1CCSCC1 ZINC000628363581 355849245 /nfs/dbraw/zinc/84/92/45/355849245.db2.gz PLWXQLKPZGHSBV-QMMMGPOBSA-N 1 2 226.349 1.426 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]n1)C1CCSCC1 ZINC000628363581 355849248 /nfs/dbraw/zinc/84/92/48/355849248.db2.gz PLWXQLKPZGHSBV-QMMMGPOBSA-N 1 2 226.349 1.426 20 0 BDADLO CCN(c1cc[nH+]cc1)S(=O)(=O)C1(C)CC1 ZINC000336025966 134057361 /nfs/dbraw/zinc/05/73/61/134057361.db2.gz FXABNDDIPAYBBO-UHFFFAOYSA-N 1 2 240.328 1.790 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+]CC1=CCCOC1 ZINC000191887504 355861833 /nfs/dbraw/zinc/86/18/33/355861833.db2.gz AVZVMVKMYUQMRA-GFCCVEGCSA-N 1 2 241.331 1.510 20 0 BDADLO CCC[C@H](C)S(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632755370 355829854 /nfs/dbraw/zinc/82/98/54/355829854.db2.gz CBWSBTJOZZBBJV-VIFPVBQESA-N 1 2 245.348 1.360 20 0 BDADLO Cn1nc(C[NH2+]C2(C)COC2)c2ccccc21 ZINC000639382555 355930045 /nfs/dbraw/zinc/93/00/45/355930045.db2.gz SMXNOZZZUFCANJ-UHFFFAOYSA-N 1 2 231.299 1.452 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ocnc1C ZINC000336042560 134062464 /nfs/dbraw/zinc/06/24/64/134062464.db2.gz JFZKWUZCCLDIGX-UHFFFAOYSA-N 1 2 231.255 1.615 20 0 BDADLO COCCc1nc(C[N@@H+]2CCCC2(C)C)no1 ZINC000351494298 356001758 /nfs/dbraw/zinc/00/17/58/356001758.db2.gz YIVQREOIOZVISU-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO COCCc1nc(C[N@H+]2CCCC2(C)C)no1 ZINC000351494298 356001762 /nfs/dbraw/zinc/00/17/62/356001762.db2.gz YIVQREOIOZVISU-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351107203 355948673 /nfs/dbraw/zinc/94/86/73/355948673.db2.gz YBBDYVJEUKAJPW-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351107203 355948675 /nfs/dbraw/zinc/94/86/75/355948675.db2.gz YBBDYVJEUKAJPW-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO CCn1c[nH+]cc1CN[C@H](C)C(F)(F)F ZINC000389315038 355959828 /nfs/dbraw/zinc/95/98/28/355959828.db2.gz PWLFSRIKYULIGU-SSDOTTSWSA-N 1 2 221.226 1.943 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747709 355970766 /nfs/dbraw/zinc/97/07/66/355970766.db2.gz BXGWBFURJZIWON-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747709 355970772 /nfs/dbraw/zinc/97/07/72/355970772.db2.gz BXGWBFURJZIWON-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO COCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748912 355971756 /nfs/dbraw/zinc/97/17/56/355971756.db2.gz GXNOJYAAVQBPJB-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748912 355971759 /nfs/dbraw/zinc/97/17/59/355971759.db2.gz GXNOJYAAVQBPJB-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO C[C@@H]1C[N@H+](CCCO)C[C@@H](C(F)(F)F)O1 ZINC000608749471 355972530 /nfs/dbraw/zinc/97/25/30/355972530.db2.gz JDEYOKAGIUKXKU-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](CCCO)C[C@@H](C(F)(F)F)O1 ZINC000608749471 355972532 /nfs/dbraw/zinc/97/25/32/355972532.db2.gz JDEYOKAGIUKXKU-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CCCCO)no1 ZINC000351645051 356042487 /nfs/dbraw/zinc/04/24/87/356042487.db2.gz BWKPXQGVMVFFRJ-QMMMGPOBSA-N 1 2 213.281 1.143 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CCCCO)no1 ZINC000351645051 356042489 /nfs/dbraw/zinc/04/24/89/356042489.db2.gz BWKPXQGVMVFFRJ-QMMMGPOBSA-N 1 2 213.281 1.143 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccon1 ZINC000351583650 356021792 /nfs/dbraw/zinc/02/17/92/356021792.db2.gz UTMBIMJWMRAARM-SECBINFHSA-N 1 2 247.302 1.381 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccon2)c[nH]1 ZINC000351593035 356025458 /nfs/dbraw/zinc/02/54/58/356025458.db2.gz MNELRKIUZKQQMR-QMMMGPOBSA-N 1 2 249.270 1.640 20 0 BDADLO CC[C@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260917 356124559 /nfs/dbraw/zinc/12/45/59/356124559.db2.gz VAXIQPIQAHZFEQ-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1nccn1CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335917665 356163246 /nfs/dbraw/zinc/16/32/46/356163246.db2.gz XBZFQJAKGFFWDL-AWEZNQCLSA-N 1 2 248.374 1.219 20 0 BDADLO Cc1nccn1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335917665 356163250 /nfs/dbraw/zinc/16/32/50/356163250.db2.gz XBZFQJAKGFFWDL-AWEZNQCLSA-N 1 2 248.374 1.219 20 0 BDADLO Cc1nccn1CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335917668 356163825 /nfs/dbraw/zinc/16/38/25/356163825.db2.gz XBZFQJAKGFFWDL-CQSZACIVSA-N 1 2 248.374 1.219 20 0 BDADLO Cc1nccn1CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335917668 356163829 /nfs/dbraw/zinc/16/38/29/356163829.db2.gz XBZFQJAKGFFWDL-CQSZACIVSA-N 1 2 248.374 1.219 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262648 356171000 /nfs/dbraw/zinc/17/10/00/356171000.db2.gz JXWYTRCCHIZBEH-VWYCJHECSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@H](CC(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261397 356150758 /nfs/dbraw/zinc/15/07/58/356150758.db2.gz PLBGCJXDJSVQJI-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000623263879 356227815 /nfs/dbraw/zinc/22/78/15/356227815.db2.gz ABJZHUHMUSNMJD-RQJHMYQMSA-N 1 2 247.220 1.122 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C(F)F)CC2)c[nH+]1 ZINC000352136458 134081733 /nfs/dbraw/zinc/08/17/33/134081733.db2.gz YQTWEDRCBPPQIE-UHFFFAOYSA-N 1 2 229.230 1.493 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@H]2C)[nH]1 ZINC000336112241 134087210 /nfs/dbraw/zinc/08/72/10/134087210.db2.gz XOLVKOSRGCXWJG-SSDOTTSWSA-N 1 2 212.322 1.050 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@H]2C)[nH]1 ZINC000336112241 134087211 /nfs/dbraw/zinc/08/72/11/134087211.db2.gz XOLVKOSRGCXWJG-SSDOTTSWSA-N 1 2 212.322 1.050 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(CNC(C)=O)CC1 ZINC000639460220 356248085 /nfs/dbraw/zinc/24/80/85/356248085.db2.gz VNQLNFWAZUDKLU-UHFFFAOYSA-N 1 2 248.317 1.880 20 0 BDADLO CCCCN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000079512050 168761872 /nfs/dbraw/zinc/76/18/72/168761872.db2.gz YQWUWFHFCHMMKR-LLVKDONJSA-N 1 2 238.335 1.713 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000639484926 356300645 /nfs/dbraw/zinc/30/06/45/356300645.db2.gz ASQDXZGDEYVRTB-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000639484926 356300651 /nfs/dbraw/zinc/30/06/51/356300651.db2.gz ASQDXZGDEYVRTB-VIFPVBQESA-N 1 2 234.290 1.490 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336451250 356373218 /nfs/dbraw/zinc/37/32/18/356373218.db2.gz NAPBOSCATHXKDX-LLVKDONJSA-N 1 2 235.331 1.560 20 0 BDADLO CC(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000639530143 356379395 /nfs/dbraw/zinc/37/93/95/356379395.db2.gz XKRLMTAHLPFBPC-ZDUSSCGKSA-N 1 2 246.310 1.313 20 0 BDADLO CC(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000639530143 356379397 /nfs/dbraw/zinc/37/93/97/356379397.db2.gz XKRLMTAHLPFBPC-ZDUSSCGKSA-N 1 2 246.310 1.313 20 0 BDADLO CC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000639539113 356392093 /nfs/dbraw/zinc/39/20/93/356392093.db2.gz BCVXWKAZZQORRM-UHFFFAOYSA-N 1 2 229.283 1.551 20 0 BDADLO C[C@@H]1CCCCN(Cc2noc(C[NH3+])n2)C1 ZINC000420367638 192225233 /nfs/dbraw/zinc/22/52/33/192225233.db2.gz HGXXYCAJGUYZBR-SECBINFHSA-N 1 2 224.308 1.150 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(OCCO)CC1 ZINC000639546457 356410219 /nfs/dbraw/zinc/41/02/19/356410219.db2.gz AIQAMOSBDUNWNG-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623278777 356427480 /nfs/dbraw/zinc/42/74/80/356427480.db2.gz CQQFKHJYXTVTRM-SECBINFHSA-N 1 2 231.255 1.139 20 0 BDADLO CSCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623212 356403923 /nfs/dbraw/zinc/40/39/23/356403923.db2.gz UOHYZLSNSFNAQN-UHFFFAOYSA-N 1 2 221.285 1.636 20 0 BDADLO CCCc1noc(C[N@H+](CC)C[C@H](C)O)n1 ZINC000352211548 134107907 /nfs/dbraw/zinc/10/79/07/134107907.db2.gz LBXHZNDJCQOMCM-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](CC)C[C@H](C)O)n1 ZINC000352211548 134107908 /nfs/dbraw/zinc/10/79/08/134107908.db2.gz LBXHZNDJCQOMCM-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H](C)C2)no1 ZINC000190426250 356441600 /nfs/dbraw/zinc/44/16/00/356441600.db2.gz SYTRVZDQPKCQQK-QMMMGPOBSA-N 1 2 227.333 1.563 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H](C)C2)no1 ZINC000190426250 356441602 /nfs/dbraw/zinc/44/16/02/356441602.db2.gz SYTRVZDQPKCQQK-QMMMGPOBSA-N 1 2 227.333 1.563 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCc1cnccn1 ZINC000639558719 356463983 /nfs/dbraw/zinc/46/39/83/356463983.db2.gz HRCMICRYOCOWMQ-NWDGAFQWSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCc1cnccn1 ZINC000639558719 356463986 /nfs/dbraw/zinc/46/39/86/356463986.db2.gz HRCMICRYOCOWMQ-NWDGAFQWSA-N 1 2 234.347 1.044 20 0 BDADLO O=C(CC1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623282018 356465097 /nfs/dbraw/zinc/46/50/97/356465097.db2.gz KGJCXLJLYXLGRP-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)C[C@H](C)O ZINC000352230456 134111067 /nfs/dbraw/zinc/11/10/67/134111067.db2.gz KIFQQKLSRQQVEP-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)C[C@H](C)O ZINC000352230456 134111068 /nfs/dbraw/zinc/11/10/68/134111068.db2.gz KIFQQKLSRQQVEP-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO O=C(CCC1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623282348 356467834 /nfs/dbraw/zinc/46/78/34/356467834.db2.gz UNAASZOCVPPWRL-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO C[N@H+](Cc1ncccn1)[C@@H]1CCCOC1 ZINC000352232086 134113084 /nfs/dbraw/zinc/11/30/84/134113084.db2.gz TYNBNEAFLDWMTN-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO C[N@@H+](Cc1ncccn1)[C@@H]1CCCOC1 ZINC000352232086 134113085 /nfs/dbraw/zinc/11/30/85/134113085.db2.gz TYNBNEAFLDWMTN-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO Cc1cc(N[C@@H]2COC(C)(C)C2)c(C#N)c[nH+]1 ZINC000399373304 356476956 /nfs/dbraw/zinc/47/69/56/356476956.db2.gz ALQOTDZEOWTMRS-NSHDSACASA-N 1 2 231.299 1.663 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CC2(O)CCC2)n1 ZINC000420920520 192273312 /nfs/dbraw/zinc/27/33/12/192273312.db2.gz JVTCTGKYKHJIEP-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000420920520 192273314 /nfs/dbraw/zinc/27/33/14/192273314.db2.gz JVTCTGKYKHJIEP-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000639602057 356521033 /nfs/dbraw/zinc/52/10/33/356521033.db2.gz NWUILZVAKWSYRQ-GUBZILKMSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000639602057 356521034 /nfs/dbraw/zinc/52/10/34/356521034.db2.gz NWUILZVAKWSYRQ-GUBZILKMSA-N 1 2 235.274 1.113 20 0 BDADLO CC[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@@H](CC)O1 ZINC000420954893 192277663 /nfs/dbraw/zinc/27/76/63/192277663.db2.gz KNXRXUUCKLXCAI-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000639606783 356527058 /nfs/dbraw/zinc/52/70/58/356527058.db2.gz OOHCFLUFNOWEHJ-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000639606783 356527065 /nfs/dbraw/zinc/52/70/65/356527065.db2.gz OOHCFLUFNOWEHJ-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H]2CCO)n1 ZINC000420923691 192274616 /nfs/dbraw/zinc/27/46/16/192274616.db2.gz RAJGMAHBUFZYLE-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H]2CCO)n1 ZINC000420923691 192274618 /nfs/dbraw/zinc/27/46/18/192274618.db2.gz RAJGMAHBUFZYLE-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO c1nc2n(n1)[C@@H](C[N@@H+]1Cc3cccnc3C1)CC2 ZINC000639623793 356543743 /nfs/dbraw/zinc/54/37/43/356543743.db2.gz MJOIIPPHNKSXKK-LLVKDONJSA-N 1 2 241.298 1.176 20 0 BDADLO c1nc2n(n1)[C@@H](C[N@H+]1Cc3cccnc3C1)CC2 ZINC000639623793 356543747 /nfs/dbraw/zinc/54/37/47/356543747.db2.gz MJOIIPPHNKSXKK-LLVKDONJSA-N 1 2 241.298 1.176 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2cocn2)no1 ZINC000350438812 366279171 /nfs/dbraw/zinc/27/91/71/366279171.db2.gz OJUJOYITCABRPE-UHFFFAOYSA-N 1 2 231.215 1.049 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335567032 535313690 /nfs/dbraw/zinc/31/36/90/535313690.db2.gz IJVAIZAUDWSWPE-VIFPVBQESA-N 1 2 239.344 1.401 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296812 356547409 /nfs/dbraw/zinc/54/74/09/356547409.db2.gz QOWZLCNHVLZEHY-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO COc1ncccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421013169 192301384 /nfs/dbraw/zinc/30/13/84/192301384.db2.gz FWDNZTIEMDJCGD-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ncccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421013169 192301386 /nfs/dbraw/zinc/30/13/86/192301386.db2.gz FWDNZTIEMDJCGD-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ncccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421013170 192302165 /nfs/dbraw/zinc/30/21/65/192302165.db2.gz FWDNZTIEMDJCGD-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ncccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421013170 192302166 /nfs/dbraw/zinc/30/21/66/192302166.db2.gz FWDNZTIEMDJCGD-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccoc1 ZINC000623298807 356555518 /nfs/dbraw/zinc/55/55/18/356555518.db2.gz KHZIYCUPLVGKHI-JTQLQIEISA-N 1 2 231.255 1.221 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCCNc1cccc[nH+]1 ZINC000352283244 134131331 /nfs/dbraw/zinc/13/13/31/134131331.db2.gz BZMAQJVDMONTSA-QWRGUYRKSA-N 1 2 233.315 1.656 20 0 BDADLO CCc1cccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000449856892 202046318 /nfs/dbraw/zinc/04/63/18/202046318.db2.gz PZHWMHNKJYGMNT-UHFFFAOYSA-N 1 2 244.298 1.340 20 0 BDADLO CCC(F)(F)C[N@H+](C)C1(CO)CCC1 ZINC000639655698 356560888 /nfs/dbraw/zinc/56/08/88/356560888.db2.gz UEIXLJYEKJNROG-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C1(CO)CCC1 ZINC000639655698 356560893 /nfs/dbraw/zinc/56/08/93/356560893.db2.gz UEIXLJYEKJNROG-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300135 356561116 /nfs/dbraw/zinc/56/11/16/356561116.db2.gz KIHMIHWGNSVYKY-NTZNESFSSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)CCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623300668 356571021 /nfs/dbraw/zinc/57/10/21/356571021.db2.gz XPSNYQZJUVYIDX-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303419 356593504 /nfs/dbraw/zinc/59/35/04/356593504.db2.gz BWZHIFLWHYVWOJ-WCFLWFBJSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccns3)C2)n[nH]1 ZINC000639677417 356593555 /nfs/dbraw/zinc/59/35/55/356593555.db2.gz OOVBNXFLOUTTHV-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccns3)C2)n[nH]1 ZINC000639677417 356593556 /nfs/dbraw/zinc/59/35/56/356593556.db2.gz OOVBNXFLOUTTHV-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO CC(C)C[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303455 356593614 /nfs/dbraw/zinc/59/36/14/356593614.db2.gz CPYDEAGDVCKMBQ-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@@H](O)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000301901720 356587618 /nfs/dbraw/zinc/58/76/18/356587618.db2.gz NQGLJFGAMZLZBQ-SECBINFHSA-N 1 2 246.314 1.785 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304805 356598231 /nfs/dbraw/zinc/59/82/31/356598231.db2.gz FNMQWPPZDCKBIW-TUAOUCFPSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623305241 356599520 /nfs/dbraw/zinc/59/95/20/356599520.db2.gz OFBITSVOWOJJLC-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO CC(=O)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000639698552 356606496 /nfs/dbraw/zinc/60/64/96/356606496.db2.gz LJWLGJIIMYGRIK-NSHDSACASA-N 1 2 211.305 1.609 20 0 BDADLO CC(=O)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000639698552 356606498 /nfs/dbraw/zinc/60/64/98/356606498.db2.gz LJWLGJIIMYGRIK-NSHDSACASA-N 1 2 211.305 1.609 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000450182712 202090898 /nfs/dbraw/zinc/09/08/98/202090898.db2.gz GSPPEOFJNBLRII-IJLUTSLNSA-N 1 2 247.342 1.923 20 0 BDADLO CN(C)c1nc(N(C)CCO)[nH+]c2ccccc21 ZINC000450210164 202096923 /nfs/dbraw/zinc/09/69/23/202096923.db2.gz ZUDHASOTQKOGLF-UHFFFAOYSA-N 1 2 246.314 1.124 20 0 BDADLO CC[C@@H](NC(=O)CCc1ccon1)c1[nH]cc[nH+]1 ZINC000613579637 363523057 /nfs/dbraw/zinc/52/30/57/363523057.db2.gz RODJQSYBEYMOTI-SNVBAGLBSA-N 1 2 248.286 1.598 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000450255082 202109570 /nfs/dbraw/zinc/10/95/70/202109570.db2.gz XWLDQVAJUCZSLU-SECBINFHSA-N 1 2 247.289 1.871 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000450255082 202109571 /nfs/dbraw/zinc/10/95/71/202109571.db2.gz XWLDQVAJUCZSLU-SECBINFHSA-N 1 2 247.289 1.871 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C2CC2)s1 ZINC000450262874 202114544 /nfs/dbraw/zinc/11/45/44/202114544.db2.gz VEYMZPZHLLJCBP-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C2CC2)s1 ZINC000450262874 202114546 /nfs/dbraw/zinc/11/45/46/202114546.db2.gz VEYMZPZHLLJCBP-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)C[C@H]1CCCO1 ZINC000450271491 202117016 /nfs/dbraw/zinc/11/70/16/202117016.db2.gz QQCSASHDVDSAFM-DTWKUNHWSA-N 1 2 227.333 1.710 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)C[C@H]1CCCO1 ZINC000450271491 202117019 /nfs/dbraw/zinc/11/70/19/202117019.db2.gz QQCSASHDVDSAFM-DTWKUNHWSA-N 1 2 227.333 1.710 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)[C@@H](C)O1 ZINC000630094377 363537219 /nfs/dbraw/zinc/53/72/19/363537219.db2.gz GXGIPCMNEIKNEY-FXPVBKGRSA-N 1 2 222.288 1.552 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389480659 356687549 /nfs/dbraw/zinc/68/75/49/356687549.db2.gz UUVQZKSFFWBAKQ-JGVFFNPUSA-N 1 2 243.319 1.443 20 0 BDADLO CC(C)C(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000054116645 363561719 /nfs/dbraw/zinc/56/17/19/363561719.db2.gz KRICTFZPWYQUBW-ONEGZZNKSA-N 1 2 230.739 1.539 20 0 BDADLO CCCCNC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733108 325025248 /nfs/dbraw/zinc/02/52/48/325025248.db2.gz IESCMEQFMGQGMK-VIFPVBQESA-N 1 2 241.360 1.710 20 0 BDADLO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)C(C)(F)F ZINC000389484037 356690899 /nfs/dbraw/zinc/69/08/99/356690899.db2.gz ZGFQDDLFWAAZRR-LURJTMIESA-N 1 2 248.298 1.980 20 0 BDADLO O=C1CC[C@H](C[N@@H+](CC(F)F)C2CC2)CCN1 ZINC000450394893 202150886 /nfs/dbraw/zinc/15/08/86/202150886.db2.gz RXRSNSSVGYFOPE-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO O=C1CC[C@H](C[N@H+](CC(F)F)C2CC2)CCN1 ZINC000450394893 202150889 /nfs/dbraw/zinc/15/08/89/202150889.db2.gz RXRSNSSVGYFOPE-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@](C)(CCC)C(=O)OC ZINC000450417355 202160760 /nfs/dbraw/zinc/16/07/60/202160760.db2.gz JCQDSQVLNSKQDD-PWSUYJOCSA-N 1 2 231.336 1.469 20 0 BDADLO COCC[N@H+](CC(=O)OC)CC1=CCCCC1 ZINC000450407509 202156540 /nfs/dbraw/zinc/15/65/40/202156540.db2.gz TWKRCZTVHXNASD-UHFFFAOYSA-N 1 2 241.331 1.608 20 0 BDADLO COCC[N@@H+](CC(=O)OC)CC1=CCCCC1 ZINC000450407509 202156543 /nfs/dbraw/zinc/15/65/43/202156543.db2.gz TWKRCZTVHXNASD-UHFFFAOYSA-N 1 2 241.331 1.608 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)o1 ZINC000639780565 356730093 /nfs/dbraw/zinc/73/00/93/356730093.db2.gz KCKHFFXXNNHLAR-JTQLQIEISA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)o1 ZINC000639780565 356730094 /nfs/dbraw/zinc/73/00/94/356730094.db2.gz KCKHFFXXNNHLAR-JTQLQIEISA-N 1 2 247.302 1.692 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccns1 ZINC000639790103 356742677 /nfs/dbraw/zinc/74/26/77/356742677.db2.gz ZKIAPUDFVKOMIS-MRVPVSSYSA-N 1 2 227.333 1.052 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccns1 ZINC000639790103 356742680 /nfs/dbraw/zinc/74/26/80/356742680.db2.gz ZKIAPUDFVKOMIS-MRVPVSSYSA-N 1 2 227.333 1.052 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)C)CC2 ZINC000623340482 356739575 /nfs/dbraw/zinc/73/95/75/356739575.db2.gz JYWGLDDBFLZVSR-SNVBAGLBSA-N 1 2 221.304 1.279 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1ccns1 ZINC000639787430 356740215 /nfs/dbraw/zinc/74/02/15/356740215.db2.gz OBORMIKFGDPGFP-MRVPVSSYSA-N 1 2 239.344 1.242 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccns1 ZINC000639787430 356740218 /nfs/dbraw/zinc/74/02/18/356740218.db2.gz OBORMIKFGDPGFP-MRVPVSSYSA-N 1 2 239.344 1.242 20 0 BDADLO COc1cccc(C[NH2+]Cc2ncnn2C)c1 ZINC000088572051 356743175 /nfs/dbraw/zinc/74/31/75/356743175.db2.gz LEBXTQLJWPJZRT-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO Cc1ccc(NC(=O)N2CC([C@H](C)O)C2)c(C)[nH+]1 ZINC000639795401 356751835 /nfs/dbraw/zinc/75/18/35/356751835.db2.gz KDRQPHSXZDZMRJ-JTQLQIEISA-N 1 2 249.314 1.543 20 0 BDADLO Cn1cc(C2=CCC[N@H+](Cc3ccon3)C2)cn1 ZINC000639796972 356755174 /nfs/dbraw/zinc/75/51/74/356755174.db2.gz ZOMZDPCDUIYZAV-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cn1cc(C2=CCC[N@@H+](Cc3ccon3)C2)cn1 ZINC000639796972 356755176 /nfs/dbraw/zinc/75/51/76/356755176.db2.gz ZOMZDPCDUIYZAV-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(O)cc1 ZINC000350365953 538646012 /nfs/dbraw/zinc/64/60/12/538646012.db2.gz SVIAXSKAEKCPPQ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(O)cc1 ZINC000350365953 538646019 /nfs/dbraw/zinc/64/60/19/538646019.db2.gz SVIAXSKAEKCPPQ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CCc1nc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)co1 ZINC000356070991 356787894 /nfs/dbraw/zinc/78/78/94/356787894.db2.gz WZZZMBLIUKRROX-VIFPVBQESA-N 1 2 248.286 1.252 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@](C)(O)C2)s1 ZINC000450473072 202177552 /nfs/dbraw/zinc/17/75/52/202177552.db2.gz YQXLSSFGXVDLHZ-LLVKDONJSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@](C)(O)C2)s1 ZINC000450473072 202177555 /nfs/dbraw/zinc/17/75/55/202177555.db2.gz YQXLSSFGXVDLHZ-LLVKDONJSA-N 1 2 241.360 1.618 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2sc(C)nc2C)CCO1 ZINC000639839256 356833854 /nfs/dbraw/zinc/83/38/54/356833854.db2.gz QOLHPHLINIBGPY-NSHDSACASA-N 1 2 242.344 1.565 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2sc(C)nc2C)CCO1 ZINC000639839256 356833859 /nfs/dbraw/zinc/83/38/59/356833859.db2.gz QOLHPHLINIBGPY-NSHDSACASA-N 1 2 242.344 1.565 20 0 BDADLO CCCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623364204 356816192 /nfs/dbraw/zinc/81/61/92/356816192.db2.gz YSTMRTZEGKTGCS-LLVKDONJSA-N 1 2 235.331 1.670 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2ccncc2)CCO1 ZINC000639832210 356816937 /nfs/dbraw/zinc/81/69/37/356816937.db2.gz DIORZBHVUDQIOB-PWSUYJOCSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2ccncc2)CCO1 ZINC000639832210 356816940 /nfs/dbraw/zinc/81/69/40/356816940.db2.gz DIORZBHVUDQIOB-PWSUYJOCSA-N 1 2 222.288 1.447 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCC1=CCCCC1 ZINC000450488124 202181749 /nfs/dbraw/zinc/18/17/49/202181749.db2.gz WSGBLXHAICXHPT-UHFFFAOYSA-N 1 2 235.335 1.532 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCC1=CCCCC1 ZINC000450488124 202181753 /nfs/dbraw/zinc/18/17/53/202181753.db2.gz WSGBLXHAICXHPT-UHFFFAOYSA-N 1 2 235.335 1.532 20 0 BDADLO CC[N@H+](Cc1nnnn1C)Cc1ccccc1 ZINC000356028689 356785351 /nfs/dbraw/zinc/78/53/51/356785351.db2.gz KFLRNUHANDULSM-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC[N@@H+](Cc1nnnn1C)Cc1ccccc1 ZINC000356028689 356785354 /nfs/dbraw/zinc/78/53/54/356785354.db2.gz KFLRNUHANDULSM-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC(C)C)CC2 ZINC000623369273 356872012 /nfs/dbraw/zinc/87/20/12/356872012.db2.gz WSDHPAQJGQIPTA-GFCCVEGCSA-N 1 2 249.358 1.916 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCS1 ZINC000352051478 538712824 /nfs/dbraw/zinc/71/28/24/538712824.db2.gz BYMTUQBCYKRPOT-SNVBAGLBSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCS1 ZINC000352051478 538712833 /nfs/dbraw/zinc/71/28/33/538712833.db2.gz BYMTUQBCYKRPOT-SNVBAGLBSA-N 1 2 239.344 1.354 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639847276 356842967 /nfs/dbraw/zinc/84/29/67/356842967.db2.gz YNNCDMZLIJLBFD-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639847276 356842970 /nfs/dbraw/zinc/84/29/70/356842970.db2.gz YNNCDMZLIJLBFD-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CC[NH+]1CCN(c2nnc(C(F)F)s2)CC1 ZINC000360840564 356912191 /nfs/dbraw/zinc/91/21/91/356912191.db2.gz AZCWWEAPVOMAAT-UHFFFAOYSA-N 1 2 248.302 1.618 20 0 BDADLO Cc1nc(NCCCC2CCOCC2)cc[nH+]1 ZINC000450560863 202198011 /nfs/dbraw/zinc/19/80/11/202198011.db2.gz UBTOGDYKMAIQKJ-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@@H](O)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000361086348 356917383 /nfs/dbraw/zinc/91/73/83/356917383.db2.gz SONPEVRSERTICD-LLVKDONJSA-N 1 2 237.347 1.985 20 0 BDADLO CCC[C@@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000450566925 202199615 /nfs/dbraw/zinc/19/96/15/202199615.db2.gz YHLGGPNMXHPASC-SECBINFHSA-N 1 2 227.308 1.364 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CC1)CC2 ZINC000623379577 356902950 /nfs/dbraw/zinc/90/29/50/356902950.db2.gz ZCXHCKBMHIJDIH-SECBINFHSA-N 1 2 219.288 1.033 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)no1 ZINC000368896146 356979509 /nfs/dbraw/zinc/97/95/09/356979509.db2.gz LVUSSFPKNBSOOF-BXKDBHETSA-N 1 2 237.303 1.289 20 0 BDADLO CC1(C)C[N@H+](Cc2csnn2)CCCO1 ZINC000371330342 357038457 /nfs/dbraw/zinc/03/84/57/357038457.db2.gz BFZGKXKURHSOGS-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO CC1(C)C[N@@H+](Cc2csnn2)CCCO1 ZINC000371330342 357038459 /nfs/dbraw/zinc/03/84/59/357038459.db2.gz BFZGKXKURHSOGS-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccncc2Cl)n1 ZINC000389815898 357043645 /nfs/dbraw/zinc/04/36/45/357043645.db2.gz OWPJTMPMJIWONA-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO C/C=C\CNC(=O)Nc1cc[nH+]cc1C ZINC000626468397 357005093 /nfs/dbraw/zinc/00/50/93/357005093.db2.gz CKRIVFKIBGSRIC-ARJAWSKDSA-N 1 2 205.261 1.510 20 0 BDADLO C[N@H+](Cc1ccc[nH]1)Cc1cncnc1 ZINC000354025571 538770298 /nfs/dbraw/zinc/77/02/98/538770298.db2.gz GBHQQBDKFUYJOR-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO C[N@@H+](Cc1ccc[nH]1)Cc1cncnc1 ZINC000354025571 538770305 /nfs/dbraw/zinc/77/03/05/538770305.db2.gz GBHQQBDKFUYJOR-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO Cc1cccc(C[NH2+][C@@H](C)c2ncc[nH]2)n1 ZINC000390593255 357111066 /nfs/dbraw/zinc/11/10/66/357111066.db2.gz ZURMVQIQWOLGCK-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO Cc1sccc1CC(=O)NCc1c[nH+]cn1C ZINC000355256472 538791532 /nfs/dbraw/zinc/79/15/32/538791532.db2.gz OPMFPVQCDNDJEG-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO CC(C)Cn1cc(CNc2c[nH]c[nH+]2)cn1 ZINC000390343758 357090419 /nfs/dbraw/zinc/09/04/19/357090419.db2.gz NPEHFKOOTILLIL-UHFFFAOYSA-N 1 2 219.292 1.874 20 0 BDADLO OCc1ccccc1C[NH2+]Cc1cocn1 ZINC000390770565 357115740 /nfs/dbraw/zinc/11/57/40/357115740.db2.gz VSIQZYSTFDVVSQ-UHFFFAOYSA-N 1 2 218.256 1.457 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000628419124 357240092 /nfs/dbraw/zinc/24/00/92/357240092.db2.gz MWLVFIZIFTYCGY-UHFFFAOYSA-N 1 2 229.283 1.940 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000628419124 357240093 /nfs/dbraw/zinc/24/00/93/357240093.db2.gz MWLVFIZIFTYCGY-UHFFFAOYSA-N 1 2 229.283 1.940 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCCC(F)(F)F ZINC000356756677 538814946 /nfs/dbraw/zinc/81/49/46/538814946.db2.gz XRQBGBJGCZQQHB-UHFFFAOYSA-N 1 2 249.236 1.769 20 0 BDADLO CCc1nsc(N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000377330484 357230523 /nfs/dbraw/zinc/23/05/23/357230523.db2.gz MWXISPCCQGHAIZ-SSDOTTSWSA-N 1 2 249.343 1.215 20 0 BDADLO CCc1nsc(N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000377330484 357230527 /nfs/dbraw/zinc/23/05/27/357230527.db2.gz MWXISPCCQGHAIZ-SSDOTTSWSA-N 1 2 249.343 1.215 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000377450470 357233234 /nfs/dbraw/zinc/23/32/34/357233234.db2.gz BINWALWSXQTBFN-VXGBXAGGSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000377450470 357233236 /nfs/dbraw/zinc/23/32/36/357233236.db2.gz BINWALWSXQTBFN-VXGBXAGGSA-N 1 2 240.347 1.012 20 0 BDADLO CCc1noc(C[N@H+](CC)CCC(=O)OC)n1 ZINC000050053842 357282423 /nfs/dbraw/zinc/28/24/23/357282423.db2.gz JLWAIWJSOZZRAK-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO CCc1noc(C[N@@H+](CC)CCC(=O)OC)n1 ZINC000050053842 357282426 /nfs/dbraw/zinc/28/24/26/357282426.db2.gz JLWAIWJSOZZRAK-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCn2ccnc21 ZINC000639900372 357284122 /nfs/dbraw/zinc/28/41/22/357284122.db2.gz SBIPWGGQXNSNFD-UHFFFAOYSA-N 1 2 243.270 1.061 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[NH+]1C2CCC1CC2 ZINC000582465893 357291188 /nfs/dbraw/zinc/29/11/88/357291188.db2.gz KRWLQGLKQOUAGJ-BPCQOVAHSA-N 1 2 246.310 1.923 20 0 BDADLO COC(=O)c1cc(CNc2c[nH]c[nH+]2)c[nH]1 ZINC000393775707 357298615 /nfs/dbraw/zinc/29/86/15/357298615.db2.gz KJAHGLSJQNHRDT-UHFFFAOYSA-N 1 2 220.232 1.137 20 0 BDADLO Cc1cc(NC(=O)NC2(C)COC2)c(C)c[nH+]1 ZINC000639901431 357300123 /nfs/dbraw/zinc/30/01/23/357300123.db2.gz JICKUGCGBJTUDO-UHFFFAOYSA-N 1 2 235.287 1.031 20 0 BDADLO Cc1n[nH]cc1C[NH+]1CC2(C1)CCCO2 ZINC000628426899 357257740 /nfs/dbraw/zinc/25/77/40/357257740.db2.gz TVEIYCIUAFAVBW-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cn1c[nH+]cc1CN=c1nc[nH]c2ccsc21 ZINC000357581164 538830524 /nfs/dbraw/zinc/83/05/24/538830524.db2.gz MFXMNETYSBMOAR-UHFFFAOYSA-N 1 2 245.311 1.459 20 0 BDADLO OCC[N@H+](CC(F)F)C1CCCCC1 ZINC000050106462 357367226 /nfs/dbraw/zinc/36/72/26/357367226.db2.gz JZDATRHFCKHCAP-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO OCC[N@@H+](CC(F)F)C1CCCCC1 ZINC000050106462 357367227 /nfs/dbraw/zinc/36/72/27/357367227.db2.gz JZDATRHFCKHCAP-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613269501 357394374 /nfs/dbraw/zinc/39/43/74/357394374.db2.gz HGVKPACCVCVYDE-UTUOFQBUSA-N 1 2 247.342 1.781 20 0 BDADLO COc1ccc[nH+]c1NC[C@@]1(C)CCOC1 ZINC000397139585 357504991 /nfs/dbraw/zinc/50/49/91/357504991.db2.gz COKMWFWOCLXARO-GFCCVEGCSA-N 1 2 222.288 1.929 20 0 BDADLO CO[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000583034470 357465503 /nfs/dbraw/zinc/46/55/03/357465503.db2.gz MJBSLHOZYVINFD-BDAKNGLRSA-N 1 2 225.292 1.258 20 0 BDADLO COCC[C@H](C)[N@H+](C)Cc1noc(C)n1 ZINC000359518899 538853787 /nfs/dbraw/zinc/85/37/87/538853787.db2.gz CPAGOCUJZSSJSM-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO COCC[C@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC000359518899 538853792 /nfs/dbraw/zinc/85/37/92/538853792.db2.gz CPAGOCUJZSSJSM-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCc3n[nH]cc3C2)nn1 ZINC000583210561 357527935 /nfs/dbraw/zinc/52/79/35/357527935.db2.gz WOWJHOGXXGFGDJ-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCc3n[nH]cc3C2)nn1 ZINC000583210561 357527939 /nfs/dbraw/zinc/52/79/39/357527939.db2.gz WOWJHOGXXGFGDJ-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO Cn1cccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583209068 357536255 /nfs/dbraw/zinc/53/62/55/357536255.db2.gz BRILZKHMGNJLIH-UHFFFAOYSA-N 1 2 232.287 1.413 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000188732714 357565954 /nfs/dbraw/zinc/56/59/54/357565954.db2.gz VSKDWMBTZKVVQI-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000189333481 357631930 /nfs/dbraw/zinc/63/19/30/357631930.db2.gz JODHUDSZQQUUDM-VHSXEESVSA-N 1 2 247.302 1.701 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000189333481 357631934 /nfs/dbraw/zinc/63/19/34/357631934.db2.gz JODHUDSZQQUUDM-VHSXEESVSA-N 1 2 247.302 1.701 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000189333506 357632431 /nfs/dbraw/zinc/63/24/31/357632431.db2.gz JODHUDSZQQUUDM-NXEZZACHSA-N 1 2 247.302 1.701 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000189333506 357632435 /nfs/dbraw/zinc/63/24/35/357632435.db2.gz JODHUDSZQQUUDM-NXEZZACHSA-N 1 2 247.302 1.701 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000190702327 357725414 /nfs/dbraw/zinc/72/54/14/357725414.db2.gz TVPFNHQVFRGCHC-GRYCIOLGSA-N 1 2 243.347 1.826 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000190702327 357725418 /nfs/dbraw/zinc/72/54/18/357725418.db2.gz TVPFNHQVFRGCHC-GRYCIOLGSA-N 1 2 243.347 1.826 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000190094730 357683139 /nfs/dbraw/zinc/68/31/39/357683139.db2.gz JDNHIFHDBCCQJU-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000190094730 357683141 /nfs/dbraw/zinc/68/31/41/357683141.db2.gz JDNHIFHDBCCQJU-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190847508 357726582 /nfs/dbraw/zinc/72/65/82/357726582.db2.gz ZYCSYPRRVOYYBM-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)no1 ZINC000190847508 357726585 /nfs/dbraw/zinc/72/65/85/357726585.db2.gz ZYCSYPRRVOYYBM-ZJUUUORDSA-N 1 2 239.319 1.082 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[NH+]1CCSCC1 ZINC000191944073 357806564 /nfs/dbraw/zinc/80/65/64/357806564.db2.gz YWFQWSHXYJWBMO-MRVPVSSYSA-N 1 2 239.348 1.118 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C1CC1 ZINC000234542523 357811989 /nfs/dbraw/zinc/81/19/89/357811989.db2.gz FNXPKUOTHHPXJP-QJPTWQEYSA-N 1 2 239.315 1.095 20 0 BDADLO CCC(CC)C[N@@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000192065229 357816134 /nfs/dbraw/zinc/81/61/34/357816134.db2.gz IZAFEEZAHOULDO-NSHDSACASA-N 1 2 247.404 1.789 20 0 BDADLO CCC(CC)C[N@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000192065229 357816138 /nfs/dbraw/zinc/81/61/38/357816138.db2.gz IZAFEEZAHOULDO-NSHDSACASA-N 1 2 247.404 1.789 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1ncccn1 ZINC000192067334 357817217 /nfs/dbraw/zinc/81/72/17/357817217.db2.gz STLNOGHYPJIFRD-UHFFFAOYSA-N 1 2 221.304 1.335 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1ncccn1 ZINC000192067334 357817220 /nfs/dbraw/zinc/81/72/20/357817220.db2.gz STLNOGHYPJIFRD-UHFFFAOYSA-N 1 2 221.304 1.335 20 0 BDADLO CN(CCCO)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631263658 357820632 /nfs/dbraw/zinc/82/06/32/357820632.db2.gz AHABDCOZJISBAX-UHFFFAOYSA-N 1 2 246.314 1.654 20 0 BDADLO COC(=O)c1ccccc1OCCn1cc[nH+]c1 ZINC000192751149 357850821 /nfs/dbraw/zinc/85/08/21/357850821.db2.gz RPBKVBLSULVBMP-UHFFFAOYSA-N 1 2 246.266 1.749 20 0 BDADLO Cn1cccc1[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000193009143 357864364 /nfs/dbraw/zinc/86/43/64/357864364.db2.gz FVRBWOCADUHDLD-ZDUSSCGKSA-N 1 2 246.314 1.322 20 0 BDADLO Cn1cccc1[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000193009143 357864365 /nfs/dbraw/zinc/86/43/65/357864365.db2.gz FVRBWOCADUHDLD-ZDUSSCGKSA-N 1 2 246.314 1.322 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H]3CCCCN3C2=O)nc[nH+]1 ZINC000583309249 357890579 /nfs/dbraw/zinc/89/05/79/357890579.db2.gz VUCPWOOISFYVCX-GHMZBOCLSA-N 1 2 246.314 1.350 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)[C@@H]1c1ccco1 ZINC000639930465 357908937 /nfs/dbraw/zinc/90/89/37/357908937.db2.gz XIZXYTYAFMQHCN-CMPLNLGQSA-N 1 2 248.326 1.941 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCCNC2=O)[C@@H]1c1ccco1 ZINC000639930465 357908940 /nfs/dbraw/zinc/90/89/40/357908940.db2.gz XIZXYTYAFMQHCN-CMPLNLGQSA-N 1 2 248.326 1.941 20 0 BDADLO CCN(CC(F)F)C(=O)Cc1c[nH+]cn1C ZINC000584429252 357920378 /nfs/dbraw/zinc/92/03/78/357920378.db2.gz FVSRDKLBKZHGKJ-UHFFFAOYSA-N 1 2 231.246 1.076 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C)cn1 ZINC000583814865 357960572 /nfs/dbraw/zinc/96/05/72/357960572.db2.gz OVQNNPIXRGGKBI-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C)cn1 ZINC000583814865 357960573 /nfs/dbraw/zinc/96/05/73/357960573.db2.gz OVQNNPIXRGGKBI-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610450119 357943003 /nfs/dbraw/zinc/94/30/03/357943003.db2.gz DMUXPWFCCMDQFA-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610450119 357943005 /nfs/dbraw/zinc/94/30/05/357943005.db2.gz DMUXPWFCCMDQFA-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO COC[C@@](C)(CO)[NH2+]Cc1ncc(C2CC2)o1 ZINC000639957928 357981730 /nfs/dbraw/zinc/98/17/30/357981730.db2.gz WPKZOIPRDFOPHO-GFCCVEGCSA-N 1 2 240.303 1.039 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc(CC)[nH+]cn1 ZINC000610587919 358005280 /nfs/dbraw/zinc/00/52/80/358005280.db2.gz BTOZNUWLHQDVOV-VIFPVBQESA-N 1 2 237.303 1.072 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC1(O)CCC1 ZINC000639970720 358024079 /nfs/dbraw/zinc/02/40/79/358024079.db2.gz JJIPJUOCPKIKBI-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC1(O)CCC1 ZINC000639970720 358024082 /nfs/dbraw/zinc/02/40/82/358024082.db2.gz JJIPJUOCPKIKBI-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@@H](CC)C2)o1 ZINC000076072416 325328791 /nfs/dbraw/zinc/32/87/91/325328791.db2.gz FPCKWEBXUZYNMM-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@@H](CC)C2)o1 ZINC000076072416 325328793 /nfs/dbraw/zinc/32/87/93/325328793.db2.gz FPCKWEBXUZYNMM-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO COC(=O)C1([NH2+]CCOC(C)(C)C)CCCC1 ZINC000134016846 325337986 /nfs/dbraw/zinc/33/79/86/325337986.db2.gz QMDHHOGYLUTWPB-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000628459776 358094598 /nfs/dbraw/zinc/09/45/98/358094598.db2.gz XRROJKDXXZOFMF-LLVKDONJSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](CCF)C1 ZINC000628459776 358094600 /nfs/dbraw/zinc/09/46/00/358094600.db2.gz XRROJKDXXZOFMF-LLVKDONJSA-N 1 2 241.310 1.289 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC=C(C)C1 ZINC000583882338 358117212 /nfs/dbraw/zinc/11/72/12/358117212.db2.gz CPOHXNKJDGNXOF-UHFFFAOYSA-N 1 2 220.276 1.224 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC=C(C)C1 ZINC000583882338 358117215 /nfs/dbraw/zinc/11/72/15/358117215.db2.gz CPOHXNKJDGNXOF-UHFFFAOYSA-N 1 2 220.276 1.224 20 0 BDADLO CN(C)c1ncc(C[NH2+]Cc2ncccn2)s1 ZINC000584666127 358121126 /nfs/dbraw/zinc/12/11/26/358121126.db2.gz KYBBSTVKOWSHOU-UHFFFAOYSA-N 1 2 249.343 1.289 20 0 BDADLO Cc1noc(C[NH+]2CCC(C)(F)CC2)n1 ZINC000640070999 358154716 /nfs/dbraw/zinc/15/47/16/358154716.db2.gz SXZHJNJWJNYREZ-UHFFFAOYSA-N 1 2 213.256 1.702 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000171822840 134260896 /nfs/dbraw/zinc/26/08/96/134260896.db2.gz DYDZOLDTQQOYCX-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H](C)C2)n1 ZINC000171822840 134260897 /nfs/dbraw/zinc/26/08/97/134260897.db2.gz DYDZOLDTQQOYCX-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO c1c[nH+]c(CN2Cc3ccccc3CO2)[nH]1 ZINC000640125429 358204897 /nfs/dbraw/zinc/20/48/97/358204897.db2.gz TUWRUMJTKNQFRQ-UHFFFAOYSA-N 1 2 215.256 1.857 20 0 BDADLO Cn1c[nH+]c(CN2Cc3ccccc3CO2)c1 ZINC000640125973 358205383 /nfs/dbraw/zinc/20/53/83/358205383.db2.gz FWHVWRFRLLYALT-UHFFFAOYSA-N 1 2 229.283 1.868 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000640128190 358206166 /nfs/dbraw/zinc/20/61/66/358206166.db2.gz KIOZRUREVJNVRS-ZWNOBZJWSA-N 1 2 247.298 1.297 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ncccc1O ZINC000584865992 358206860 /nfs/dbraw/zinc/20/68/60/358206860.db2.gz LMLIHIBIQQILAN-SECBINFHSA-N 1 2 238.287 1.171 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ncccc1O ZINC000584865992 358206865 /nfs/dbraw/zinc/20/68/65/358206865.db2.gz LMLIHIBIQQILAN-SECBINFHSA-N 1 2 238.287 1.171 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(C)nc(OC)n1 ZINC000450688887 202233731 /nfs/dbraw/zinc/23/37/31/202233731.db2.gz WWUDYPKDBZNSLO-UHFFFAOYSA-N 1 2 247.302 1.044 20 0 BDADLO CCC(=O)CCC[N@@H+](CC)Cc1cn(C)nn1 ZINC000450712377 202241141 /nfs/dbraw/zinc/24/11/41/202241141.db2.gz GBGPOLRCIXPPGK-UHFFFAOYSA-N 1 2 238.335 1.396 20 0 BDADLO CCC(=O)CCC[N@H+](CC)Cc1cn(C)nn1 ZINC000450712377 202241145 /nfs/dbraw/zinc/24/11/45/202241145.db2.gz GBGPOLRCIXPPGK-UHFFFAOYSA-N 1 2 238.335 1.396 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H](C)CO ZINC000450740353 202251202 /nfs/dbraw/zinc/25/12/02/202251202.db2.gz UZQSUUXFWJGAFW-MXWKQRLJSA-N 1 2 231.336 1.181 20 0 BDADLO c1nc2n(n1)CC[N@@H+](CC13CCC(CC1)C3)C2 ZINC000450760490 202259913 /nfs/dbraw/zinc/25/99/13/202259913.db2.gz QAPFPGJGLFHRKU-UHFFFAOYSA-N 1 2 232.331 1.674 20 0 BDADLO c1nc2n(n1)CC[N@H+](CC13CCC(CC1)C3)C2 ZINC000450760490 202259916 /nfs/dbraw/zinc/25/99/16/202259916.db2.gz QAPFPGJGLFHRKU-UHFFFAOYSA-N 1 2 232.331 1.674 20 0 BDADLO CS[C@@H](CO)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000218902178 134270445 /nfs/dbraw/zinc/27/04/45/134270445.db2.gz YXGIVCLTKMKWLW-IUCAKERBSA-N 1 2 227.333 1.309 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000450773630 202260727 /nfs/dbraw/zinc/26/07/27/202260727.db2.gz BKGDVWWRRBXGJR-FBIMIBRVSA-N 1 2 241.360 1.834 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000450773630 202260730 /nfs/dbraw/zinc/26/07/30/202260730.db2.gz BKGDVWWRRBXGJR-FBIMIBRVSA-N 1 2 241.360 1.834 20 0 BDADLO CC[C@@H]1C[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000351087853 366409637 /nfs/dbraw/zinc/40/96/37/366409637.db2.gz JJRANSPTMGTWSV-PSASIEDQSA-N 1 2 232.287 1.907 20 0 BDADLO CCc1noc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000351186217 366445278 /nfs/dbraw/zinc/44/52/78/366445278.db2.gz PQBBLTCBOIBKPI-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000351186217 366445284 /nfs/dbraw/zinc/44/52/84/366445284.db2.gz PQBBLTCBOIBKPI-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)[C@H](C)O1 ZINC000633133503 358411359 /nfs/dbraw/zinc/41/13/59/358411359.db2.gz XEGCXMBVRJQFLZ-KXUCPTDWSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)[C@H](C)O1 ZINC000633133503 358411365 /nfs/dbraw/zinc/41/13/65/358411365.db2.gz XEGCXMBVRJQFLZ-KXUCPTDWSA-N 1 2 249.314 1.108 20 0 BDADLO COC(=O)[C@@H](C)NCc1c(C)[nH+]c2ccccn21 ZINC000042307452 358520550 /nfs/dbraw/zinc/52/05/50/358520550.db2.gz CSXOHIOBAQXGRP-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO COCc1noc([C@@H]([NH3+])c2ccccc2)n1 ZINC000045893334 358419617 /nfs/dbraw/zinc/41/96/17/358419617.db2.gz MQFOOJVYMKOLTR-JTQLQIEISA-N 1 2 219.244 1.264 20 0 BDADLO CNC(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640153764 358435034 /nfs/dbraw/zinc/43/50/34/358435034.db2.gz TVKOCSBKDKTTNH-SNVBAGLBSA-N 1 2 228.242 1.172 20 0 BDADLO CCCCCNC(=O)NCCn1cc[nH+]c1 ZINC000042845285 358531238 /nfs/dbraw/zinc/53/12/38/358531238.db2.gz SJMAEMGQDYXWHW-UHFFFAOYSA-N 1 2 224.308 1.373 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000048682723 358647075 /nfs/dbraw/zinc/64/70/75/358647075.db2.gz BLCCVJJDELHRBG-ZETCQYMHSA-N 1 2 233.271 1.845 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc2[nH+]c(C)[nH]c2c1 ZINC000048682723 358647078 /nfs/dbraw/zinc/64/70/78/358647078.db2.gz BLCCVJJDELHRBG-ZETCQYMHSA-N 1 2 233.271 1.845 20 0 BDADLO Cc1noc(C[N@H+](C)CCOCC2CC2)n1 ZINC000130859693 358649889 /nfs/dbraw/zinc/64/98/89/358649889.db2.gz ZZYSARYJMMKZED-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOCC2CC2)n1 ZINC000130859693 358649891 /nfs/dbraw/zinc/64/98/91/358649891.db2.gz ZZYSARYJMMKZED-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO COCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000048926937 358661887 /nfs/dbraw/zinc/66/18/87/358661887.db2.gz NDVUTXMKILGQNG-UHFFFAOYSA-N 1 2 245.282 1.135 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccn[nH]1 ZINC000131497037 358679886 /nfs/dbraw/zinc/67/98/86/358679886.db2.gz VRXYJSUSWLLFNQ-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCOC3)cc2[nH+]1 ZINC000049341206 358683345 /nfs/dbraw/zinc/68/33/45/358683345.db2.gz VWAMVABAFDTSFO-SECBINFHSA-N 1 2 245.282 1.846 20 0 BDADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCF ZINC000131951085 358701448 /nfs/dbraw/zinc/70/14/48/358701448.db2.gz WVHQXKJYXKJHDC-LBPRGKRZSA-N 1 2 226.295 1.758 20 0 BDADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCF ZINC000131951085 358701450 /nfs/dbraw/zinc/70/14/50/358701450.db2.gz WVHQXKJYXKJHDC-LBPRGKRZSA-N 1 2 226.295 1.758 20 0 BDADLO COc1cc(C)nc(C[NH2+]Cc2cc(C)no2)c1 ZINC000214142860 358759635 /nfs/dbraw/zinc/75/96/35/358759635.db2.gz AZYSHFDSAHDSSQ-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2cc(C)no2)c1 ZINC000214142860 358759637 /nfs/dbraw/zinc/75/96/37/358759637.db2.gz AZYSHFDSAHDSSQ-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COCCN(CCO)c1cc[nH+]c(C(C)C)n1 ZINC000176736843 134292794 /nfs/dbraw/zinc/29/27/94/134292794.db2.gz JWHXACLBQDDUSD-UHFFFAOYSA-N 1 2 239.319 1.045 20 0 BDADLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C)[nH]1 ZINC000134274230 358785301 /nfs/dbraw/zinc/78/53/01/358785301.db2.gz FKTHNJADTMALRB-LLVKDONJSA-N 1 2 236.315 1.535 20 0 BDADLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(C)[nH]1 ZINC000134274230 358785305 /nfs/dbraw/zinc/78/53/05/358785305.db2.gz FKTHNJADTMALRB-LLVKDONJSA-N 1 2 236.315 1.535 20 0 BDADLO CC[C@@H](NC(=O)c1cccc(O)c1)c1[nH]cc[nH+]1 ZINC000139747107 358913440 /nfs/dbraw/zinc/91/34/40/358913440.db2.gz GTYIZDJEEHAZKD-LLVKDONJSA-N 1 2 245.282 1.996 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000055083059 358882460 /nfs/dbraw/zinc/88/24/60/358882460.db2.gz AMXKNCRYWXQOPE-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000055083059 358882465 /nfs/dbraw/zinc/88/24/65/358882465.db2.gz AMXKNCRYWXQOPE-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO C[C@@H](O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000136756063 358885398 /nfs/dbraw/zinc/88/53/98/358885398.db2.gz UTNWHGDCXBPUIT-MRVPVSSYSA-N 1 2 231.255 1.396 20 0 BDADLO CC[C@@H](C(=O)OC)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180496 358929445 /nfs/dbraw/zinc/92/94/45/358929445.db2.gz YMWGHABMJUXGEH-QMMMGPOBSA-N 1 2 233.258 1.669 20 0 BDADLO Nc1cc(CN2OC3CCC2CC3)cc[nH+]1 ZINC000640229688 358941018 /nfs/dbraw/zinc/94/10/18/358941018.db2.gz CEAKBUKCXKBYCD-UHFFFAOYSA-N 1 2 219.288 1.553 20 0 BDADLO C([C@@H]1CCCOC1)[N@@H+]1OC2CCC1CC2 ZINC000640231707 358947815 /nfs/dbraw/zinc/94/78/15/358947815.db2.gz STXBBHDYNOLPOE-UNXYVOJBSA-N 1 2 211.305 1.971 20 0 BDADLO C([C@@H]1CCCOC1)[N@H+]1OC2CCC1CC2 ZINC000640231707 358947819 /nfs/dbraw/zinc/94/78/19/358947819.db2.gz STXBBHDYNOLPOE-UNXYVOJBSA-N 1 2 211.305 1.971 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@@]12CCC[C@@H](C1CC1)C2 ZINC000335642340 535442557 /nfs/dbraw/zinc/44/25/57/535442557.db2.gz HSLYUDACHZSDLA-YPMHNXCESA-N 1 2 222.332 1.735 20 0 BDADLO CC[N@H+]1CC(=O)N[C@@]12CCC[C@@H](C1CC1)C2 ZINC000335642340 535442562 /nfs/dbraw/zinc/44/25/62/535442562.db2.gz HSLYUDACHZSDLA-YPMHNXCESA-N 1 2 222.332 1.735 20 0 BDADLO CCOc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070989868 359068877 /nfs/dbraw/zinc/06/88/77/359068877.db2.gz FAGNBHNDRNDSIG-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccccc1Cl ZINC000070990328 359070092 /nfs/dbraw/zinc/07/00/92/359070092.db2.gz YZDJKNHPYOTWAL-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)c(O)c1 ZINC000071140940 359072449 /nfs/dbraw/zinc/07/24/49/359072449.db2.gz QNPIRIPIGHQUJS-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO COc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC000073172188 359098152 /nfs/dbraw/zinc/09/81/52/359098152.db2.gz HOVFLZCXDJAZRX-UHFFFAOYSA-N 1 2 245.282 1.208 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CCCCC1 ZINC000070650727 359060893 /nfs/dbraw/zinc/06/08/93/359060893.db2.gz PBZWXIMXWHJCKX-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1CCCC1 ZINC000070650739 359061544 /nfs/dbraw/zinc/06/15/44/359061544.db2.gz BRBYHOTWZNPTRT-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)C ZINC000548295915 325445577 /nfs/dbraw/zinc/44/55/77/325445577.db2.gz KCUZXOQUAUSRKO-MRVPVSSYSA-N 1 2 210.281 1.235 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000247404808 359219294 /nfs/dbraw/zinc/21/92/94/359219294.db2.gz BRTCNWWESVDITG-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000247404808 359219299 /nfs/dbraw/zinc/21/92/99/359219299.db2.gz BRTCNWWESVDITG-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H](C)O1 ZINC000247484348 359224470 /nfs/dbraw/zinc/22/44/70/359224470.db2.gz GABBLCMOXJAPSB-PWSUYJOCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H](C)O1 ZINC000247484348 359224475 /nfs/dbraw/zinc/22/44/75/359224475.db2.gz GABBLCMOXJAPSB-PWSUYJOCSA-N 1 2 240.347 1.107 20 0 BDADLO COC(=O)C1([N@H+](C)Cc2cn[nH]c2)CCCC1 ZINC000611274642 359288286 /nfs/dbraw/zinc/28/82/86/359288286.db2.gz LKIMRBNQRRPZOI-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO COC(=O)C1([N@@H+](C)Cc2cn[nH]c2)CCCC1 ZINC000611274642 359288291 /nfs/dbraw/zinc/28/82/91/359288291.db2.gz LKIMRBNQRRPZOI-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO c1n[n-]c2nc[nH+]c(NCCc3ccc[nH+]c3)c12 ZINC000079023278 359373805 /nfs/dbraw/zinc/37/38/05/359373805.db2.gz SDACWRKVYOWYLC-UHFFFAOYSA-N 1 2 240.270 1.403 20 0 BDADLO CC[C@@]1(Nc2cc(C)[nH+]cn2)CCOC1 ZINC000308913239 491140096 /nfs/dbraw/zinc/14/00/96/491140096.db2.gz FEUQMUGOBUEJGE-LLVKDONJSA-N 1 2 207.277 1.766 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580500 359397803 /nfs/dbraw/zinc/39/78/03/359397803.db2.gz WQJPFNLLSGWZKK-MRVPVSSYSA-N 1 2 237.246 1.253 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580500 359397806 /nfs/dbraw/zinc/39/78/06/359397806.db2.gz WQJPFNLLSGWZKK-MRVPVSSYSA-N 1 2 237.246 1.253 20 0 BDADLO COC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(=O)OC ZINC000390638403 359507585 /nfs/dbraw/zinc/50/75/85/359507585.db2.gz MHQHZCWMLDMVPJ-NXEZZACHSA-N 1 2 231.336 1.446 20 0 BDADLO Oc1cccnc1C[NH2+]Cc1nccs1 ZINC000308951557 491141075 /nfs/dbraw/zinc/14/10/75/491141075.db2.gz VKKRBEJALCCPDO-UHFFFAOYSA-N 1 2 221.285 1.534 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000191363230 359563911 /nfs/dbraw/zinc/56/39/11/359563911.db2.gz ZHHHCUGOYVNNSU-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](NCC[NH+]1CCC1)c1cscn1 ZINC000379650477 359574409 /nfs/dbraw/zinc/57/44/09/359574409.db2.gz DYDLWZIVOOCCHT-VIFPVBQESA-N 1 2 211.334 1.499 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2csnn2)CC[C@H]1C ZINC000450832328 202281833 /nfs/dbraw/zinc/28/18/33/202281833.db2.gz VKHJSRQJEPIUGY-FXPVBKGRSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2csnn2)CC[C@H]1C ZINC000450832328 202281836 /nfs/dbraw/zinc/28/18/36/202281836.db2.gz VKHJSRQJEPIUGY-FXPVBKGRSA-N 1 2 241.360 1.956 20 0 BDADLO CCC1(CNc2cc[nH+]c(C(C)C)n2)COC1 ZINC000450841903 202283896 /nfs/dbraw/zinc/28/38/96/202283896.db2.gz DTNVFGSQGHOVGQ-UHFFFAOYSA-N 1 2 235.331 1.860 20 0 BDADLO CC(=O)N[C@@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000107292255 359737758 /nfs/dbraw/zinc/73/77/58/359737758.db2.gz UATZDECYICAMRS-GFCCVEGCSA-N 1 2 249.314 1.489 20 0 BDADLO COC[C@H](OC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000612226766 359740650 /nfs/dbraw/zinc/74/06/50/359740650.db2.gz OKRJPQFUOXARPW-NSHDSACASA-N 1 2 238.287 1.298 20 0 BDADLO CCO[C@@H]1COC[C@H]1Nc1cccc[nH+]1 ZINC000450899300 202304003 /nfs/dbraw/zinc/30/40/03/202304003.db2.gz VSAPFYHIKMKBTK-NXEZZACHSA-N 1 2 208.261 1.297 20 0 BDADLO CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000046906032 359800539 /nfs/dbraw/zinc/80/05/39/359800539.db2.gz DJVBVNBQSCACCJ-UHFFFAOYSA-N 1 2 222.292 1.203 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cnccc1C ZINC000533323804 359792380 /nfs/dbraw/zinc/79/23/80/359792380.db2.gz MBEVOGLNMAEIAF-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cnccc1C ZINC000533323804 359792384 /nfs/dbraw/zinc/79/23/84/359792384.db2.gz MBEVOGLNMAEIAF-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CC[C@@H](F)C[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC000450924818 202310549 /nfs/dbraw/zinc/31/05/49/202310549.db2.gz GSRHHIPBMOSMKK-SECBINFHSA-N 1 2 243.282 1.703 20 0 BDADLO CCS[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000450969754 202323464 /nfs/dbraw/zinc/32/34/64/202323464.db2.gz LVOJJPCGJPWDHX-ZJUUUORDSA-N 1 2 226.349 1.569 20 0 BDADLO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000450969754 202323467 /nfs/dbraw/zinc/32/34/67/202323467.db2.gz LVOJJPCGJPWDHX-ZJUUUORDSA-N 1 2 226.349 1.569 20 0 BDADLO C[C@@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000612414555 359839304 /nfs/dbraw/zinc/83/93/04/359839304.db2.gz OPXPEBQMMDILLT-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO CCc1nc(N2Cc3cncnc3C2)cc(C)[nH+]1 ZINC000578522249 366589755 /nfs/dbraw/zinc/58/97/55/366589755.db2.gz FZGBESCYOVNLTP-UHFFFAOYSA-N 1 2 241.298 1.658 20 0 BDADLO CC(C)=CCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613915830 363685267 /nfs/dbraw/zinc/68/52/67/363685267.db2.gz NCGIVNGGAUAZCJ-NSHDSACASA-N 1 2 247.342 1.987 20 0 BDADLO CC(C)=CCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613915830 363685273 /nfs/dbraw/zinc/68/52/73/363685273.db2.gz NCGIVNGGAUAZCJ-NSHDSACASA-N 1 2 247.342 1.987 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451121441 202356270 /nfs/dbraw/zinc/35/62/70/202356270.db2.gz RKFCLXCXEMGXFN-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451121441 202356272 /nfs/dbraw/zinc/35/62/72/202356272.db2.gz RKFCLXCXEMGXFN-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451123971 202359364 /nfs/dbraw/zinc/35/93/64/202359364.db2.gz WOKSGMKRGFQBHY-GFCCVEGCSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451123971 202359367 /nfs/dbraw/zinc/35/93/67/202359367.db2.gz WOKSGMKRGFQBHY-GFCCVEGCSA-N 1 2 230.327 1.583 20 0 BDADLO C[N@H+](Cc1ccccc1F)C(C)(C)C(N)=O ZINC000451138407 202363173 /nfs/dbraw/zinc/36/31/73/202363173.db2.gz KVQFWACRDIIYPG-UHFFFAOYSA-N 1 2 224.279 1.521 20 0 BDADLO C[N@@H+](Cc1ccccc1F)C(C)(C)C(N)=O ZINC000451138407 202363176 /nfs/dbraw/zinc/36/31/76/202363176.db2.gz KVQFWACRDIIYPG-UHFFFAOYSA-N 1 2 224.279 1.521 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](F)C1 ZINC000451184660 202371736 /nfs/dbraw/zinc/37/17/36/202371736.db2.gz KMUXOIQZIPIUSQ-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](F)C1 ZINC000451184660 202371739 /nfs/dbraw/zinc/37/17/39/202371739.db2.gz KMUXOIQZIPIUSQ-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000451191803 202374614 /nfs/dbraw/zinc/37/46/14/202374614.db2.gz RTPHDWSYQDYTLO-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000451191803 202374616 /nfs/dbraw/zinc/37/46/16/202374616.db2.gz RTPHDWSYQDYTLO-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451191350 202374862 /nfs/dbraw/zinc/37/48/62/202374862.db2.gz RDMYHBLRUAVEMU-GUBZILKMSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451191350 202374865 /nfs/dbraw/zinc/37/48/65/202374865.db2.gz RDMYHBLRUAVEMU-GUBZILKMSA-N 1 2 216.300 1.333 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451191370 202375188 /nfs/dbraw/zinc/37/51/88/202375188.db2.gz REENQEPGBQMCKP-GARJFASQSA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451191370 202375192 /nfs/dbraw/zinc/37/51/92/202375192.db2.gz REENQEPGBQMCKP-GARJFASQSA-N 1 2 230.327 1.724 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451194628 202377162 /nfs/dbraw/zinc/37/71/62/202377162.db2.gz WGPNEAMHNHJRMD-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451194628 202377163 /nfs/dbraw/zinc/37/71/63/202377163.db2.gz WGPNEAMHNHJRMD-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451193740 202377371 /nfs/dbraw/zinc/37/73/71/202377371.db2.gz VCLDKRTUJVWKRF-WDEREUQCSA-N 1 2 230.327 1.725 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451193740 202377375 /nfs/dbraw/zinc/37/73/75/202377375.db2.gz VCLDKRTUJVWKRF-WDEREUQCSA-N 1 2 230.327 1.725 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2CCOC2(C)C)no1 ZINC000451236948 202384609 /nfs/dbraw/zinc/38/46/09/202384609.db2.gz QMYOEXUALWWDOS-VIFPVBQESA-N 1 2 239.319 1.850 20 0 BDADLO CC[N@H+](Cc1cccc(C)n1)C1COC1 ZINC000451284136 202395035 /nfs/dbraw/zinc/39/50/35/202395035.db2.gz JTSDEUNIUUOJAK-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC(C)(C)CO)[nH]1 ZINC000451255226 202390126 /nfs/dbraw/zinc/39/01/26/202390126.db2.gz QLZRGGCXSZNSEL-UHFFFAOYSA-N 1 2 240.351 1.378 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC(C)(C)CO)[nH]1 ZINC000451255226 202390129 /nfs/dbraw/zinc/39/01/29/202390129.db2.gz QLZRGGCXSZNSEL-UHFFFAOYSA-N 1 2 240.351 1.378 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000087710542 359925445 /nfs/dbraw/zinc/92/54/45/359925445.db2.gz HWRGKQDARWSUPL-RYUDHWBXSA-N 1 2 235.331 1.847 20 0 BDADLO O=C(COc1ccccc1F)NCc1c[nH+]c[nH]1 ZINC000088753111 359975089 /nfs/dbraw/zinc/97/50/89/359975089.db2.gz QYDVUGKZHMVEEA-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO O=C(COc1ccccc1F)NCc1c[nH]c[nH+]1 ZINC000088753111 359975094 /nfs/dbraw/zinc/97/50/94/359975094.db2.gz QYDVUGKZHMVEEA-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1O ZINC000088751517 359975737 /nfs/dbraw/zinc/97/57/37/359975737.db2.gz NQXVOEJLDSURIV-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1O ZINC000088751517 359975740 /nfs/dbraw/zinc/97/57/40/359975740.db2.gz NQXVOEJLDSURIV-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1COc2ccccc21 ZINC000088753128 359975949 /nfs/dbraw/zinc/97/59/49/359975949.db2.gz XEINFOZMOIBBBA-NSHDSACASA-N 1 2 243.266 1.202 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1COc2ccccc21 ZINC000088753128 359975954 /nfs/dbraw/zinc/97/59/54/359975954.db2.gz XEINFOZMOIBBBA-NSHDSACASA-N 1 2 243.266 1.202 20 0 BDADLO Cc1cc(C)cc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088753789 359976374 /nfs/dbraw/zinc/97/63/74/359976374.db2.gz UJIRZZDYGLFJGZ-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1cc(C)cc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088753789 359976377 /nfs/dbraw/zinc/97/63/77/359976377.db2.gz UJIRZZDYGLFJGZ-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccoc1C ZINC000088795904 359979721 /nfs/dbraw/zinc/97/97/21/359979721.db2.gz KPFNIOUYMMUIHS-GFCCVEGCSA-N 1 2 237.299 1.971 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccoc1C ZINC000088795904 359979722 /nfs/dbraw/zinc/97/97/22/359979722.db2.gz KPFNIOUYMMUIHS-GFCCVEGCSA-N 1 2 237.299 1.971 20 0 BDADLO O=C(CCCF)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612696317 360011735 /nfs/dbraw/zinc/01/17/35/360011735.db2.gz OGMOLWGPTLOKOX-MRVPVSSYSA-N 1 2 225.267 1.133 20 0 BDADLO O=C(CCCF)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612696317 360011740 /nfs/dbraw/zinc/01/17/40/360011740.db2.gz OGMOLWGPTLOKOX-MRVPVSSYSA-N 1 2 225.267 1.133 20 0 BDADLO CO[C@H]1CC[C@@H](C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000612746971 360040542 /nfs/dbraw/zinc/04/05/42/360040542.db2.gz HXDCFOLMWXEFDI-NEPJUHHUSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1nc(N[C@@H](C)CC2CCC2)nc(N)[nH+]1 ZINC000631517966 360102632 /nfs/dbraw/zinc/10/26/32/360102632.db2.gz IMPGCTPPCVASDM-ZETCQYMHSA-N 1 2 221.308 1.005 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)CC2CCC2)[nH+]1 ZINC000631517966 360102641 /nfs/dbraw/zinc/10/26/41/360102641.db2.gz IMPGCTPPCVASDM-ZETCQYMHSA-N 1 2 221.308 1.005 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000091964332 360138928 /nfs/dbraw/zinc/13/89/28/360138928.db2.gz PJJBRDKJQBUDSE-GFCCVEGCSA-N 1 2 223.320 1.657 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccsc1 ZINC000092075651 360150129 /nfs/dbraw/zinc/15/01/29/360150129.db2.gz MKYXPUJFWVRFJQ-UHFFFAOYSA-N 1 2 222.273 1.793 20 0 BDADLO Cc1ncccc1C[N@H+]1CCOC[C@@H]1C ZINC000091815081 360131786 /nfs/dbraw/zinc/13/17/86/360131786.db2.gz KGPQGLDFAOYEAA-JTQLQIEISA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCOC[C@@H]1C ZINC000091815081 360131787 /nfs/dbraw/zinc/13/17/87/360131787.db2.gz KGPQGLDFAOYEAA-JTQLQIEISA-N 1 2 206.289 1.611 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(n2cccn2)CC1 ZINC000092618308 360186651 /nfs/dbraw/zinc/18/66/51/360186651.db2.gz YJSZKKCLDCYKHC-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000093313014 360228073 /nfs/dbraw/zinc/22/80/73/360228073.db2.gz MZGNNNIIBSBNIV-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000093313014 360228074 /nfs/dbraw/zinc/22/80/74/360228074.db2.gz MZGNNNIIBSBNIV-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000094165722 360297391 /nfs/dbraw/zinc/29/73/91/360297391.db2.gz GYUKOJJQJGTNQU-UHFFFAOYSA-N 1 2 231.299 1.871 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc[nH]n1 ZINC000093864384 360284982 /nfs/dbraw/zinc/28/49/82/360284982.db2.gz GYVNXUKXBQHPIN-GFCCVEGCSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc[nH]n1 ZINC000093864384 360284987 /nfs/dbraw/zinc/28/49/87/360284987.db2.gz GYVNXUKXBQHPIN-GFCCVEGCSA-N 1 2 245.330 1.653 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1CC2(CC2)C1 ZINC000613086797 360349274 /nfs/dbraw/zinc/34/92/74/360349274.db2.gz QMXPRCIKCHUWKO-UHFFFAOYSA-N 1 2 218.256 1.338 20 0 BDADLO O=C(Nc1cccnc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096643018 360351242 /nfs/dbraw/zinc/35/12/42/360351242.db2.gz YMDOVIHDGACLGO-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096641897 360351256 /nfs/dbraw/zinc/35/12/56/360351256.db2.gz SIDHGWHQHWRENN-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CC[N@H+](Cc1ccccn1)[C@@H](C(=O)OC)C1CC1 ZINC000094919681 360327768 /nfs/dbraw/zinc/32/77/68/360327768.db2.gz MPYGBSGPJCAZIO-CYBMUJFWSA-N 1 2 248.326 1.855 20 0 BDADLO CC[N@@H+](Cc1ccccn1)[C@@H](C(=O)OC)C1CC1 ZINC000094919681 360327771 /nfs/dbraw/zinc/32/77/71/360327771.db2.gz MPYGBSGPJCAZIO-CYBMUJFWSA-N 1 2 248.326 1.855 20 0 BDADLO Cc1cccc(C[N@H+](C)C[C@H](O)C(F)(F)F)n1 ZINC000094923458 360327791 /nfs/dbraw/zinc/32/77/91/360327791.db2.gz KUPSUCMZLPVUJK-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)n1 ZINC000094923458 360327793 /nfs/dbraw/zinc/32/77/93/360327793.db2.gz KUPSUCMZLPVUJK-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096785742 360354317 /nfs/dbraw/zinc/35/43/17/360354317.db2.gz BTSYLOQTZCJWLR-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](CC(=O)N1CC2(C1)CCCO2)n1cc[nH+]c1 ZINC000628790771 360655872 /nfs/dbraw/zinc/65/58/72/360655872.db2.gz BHSSJKXJXLWRHE-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(N2CC[C@H](O)[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000631532406 360630188 /nfs/dbraw/zinc/63/01/88/360630188.db2.gz AJJWUPNEEGMTDJ-AVGNSLFASA-N 1 2 247.342 1.915 20 0 BDADLO Cc1cc(N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000631532405 360630631 /nfs/dbraw/zinc/63/06/31/360630631.db2.gz AJJWUPNEEGMTDJ-AGIUHOORSA-N 1 2 247.342 1.915 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000061759386 360662266 /nfs/dbraw/zinc/66/22/66/360662266.db2.gz JQWMIFFYDZKXTQ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000061759386 360662273 /nfs/dbraw/zinc/66/22/73/360662273.db2.gz JQWMIFFYDZKXTQ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CCC(C)(C)CCNC(=O)Cn1cc[nH+]c1 ZINC000633969725 360671276 /nfs/dbraw/zinc/67/12/76/360671276.db2.gz NJKAWJVVRYOLGC-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC1 ZINC000628917386 360753088 /nfs/dbraw/zinc/75/30/88/360753088.db2.gz IIOSVCOIVMFALO-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC1 ZINC000628917386 360753091 /nfs/dbraw/zinc/75/30/91/360753091.db2.gz IIOSVCOIVMFALO-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920787 360753934 /nfs/dbraw/zinc/75/39/34/360753934.db2.gz HKBKBCLIARNWDV-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920787 360753937 /nfs/dbraw/zinc/75/39/37/360753937.db2.gz HKBKBCLIARNWDV-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1nc(N(C)C)nc(NC2CC=CC2)[nH+]1 ZINC000309550635 491151184 /nfs/dbraw/zinc/15/11/84/491151184.db2.gz IDRFMDLRJSAFRR-UHFFFAOYSA-N 1 2 219.292 1.377 20 0 BDADLO Cc1nc(NC2CC=CC2)nc(N(C)C)[nH+]1 ZINC000309550635 491151185 /nfs/dbraw/zinc/15/11/85/491151185.db2.gz IDRFMDLRJSAFRR-UHFFFAOYSA-N 1 2 219.292 1.377 20 0 BDADLO COC[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1C)OC ZINC000309568970 491151793 /nfs/dbraw/zinc/15/17/93/491151793.db2.gz NASCZPMGIWCMKD-WCBMZHEXSA-N 1 2 227.308 1.030 20 0 BDADLO CCOC(=O)C[N@@H+](CC=C(C)C)CCOC ZINC000064508978 360936573 /nfs/dbraw/zinc/93/65/73/360936573.db2.gz NEOZBXBKVQJMNV-UHFFFAOYSA-N 1 2 229.320 1.464 20 0 BDADLO CCOC(=O)C[N@H+](CC=C(C)C)CCOC ZINC000064508978 360936576 /nfs/dbraw/zinc/93/65/76/360936576.db2.gz NEOZBXBKVQJMNV-UHFFFAOYSA-N 1 2 229.320 1.464 20 0 BDADLO CCc1nc(NCc2cn[nH]n2)cc(C)[nH+]1 ZINC000309623170 491153647 /nfs/dbraw/zinc/15/36/47/491153647.db2.gz FSPSEDQOJIOQCL-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO CCc1nc(NCc2c[nH]nn2)cc(C)[nH+]1 ZINC000309623170 491153648 /nfs/dbraw/zinc/15/36/48/491153648.db2.gz FSPSEDQOJIOQCL-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO C[NH2+]c1ccc(NCc2cn(C)nn2)cc1 ZINC000629389348 361036637 /nfs/dbraw/zinc/03/66/37/361036637.db2.gz KAGSMFFVBQSGDY-UHFFFAOYSA-N 1 2 217.276 1.469 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cncs1 ZINC000162020566 361094859 /nfs/dbraw/zinc/09/48/59/361094859.db2.gz NELYGCICTJDJRX-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cccnc1 ZINC000169798418 361131896 /nfs/dbraw/zinc/13/18/96/361131896.db2.gz XXUOJFNXQHXPHE-LLVKDONJSA-N 1 2 242.282 1.023 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@@H](C)CO)n1 ZINC000158896160 361213522 /nfs/dbraw/zinc/21/35/22/361213522.db2.gz VOAYAUBXVUDTQT-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000158896160 361213526 /nfs/dbraw/zinc/21/35/26/361213526.db2.gz VOAYAUBXVUDTQT-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO CC1(C)CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000426303729 200978029 /nfs/dbraw/zinc/97/80/29/200978029.db2.gz ZJVKFBRAGPTDFI-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000579149320 366725884 /nfs/dbraw/zinc/72/58/84/366725884.db2.gz SUSDKFVYVOALGA-LLVKDONJSA-N 1 2 249.358 1.857 20 0 BDADLO COCC1CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000640559030 361312124 /nfs/dbraw/zinc/31/21/24/361312124.db2.gz KNEAKCVRFRMWCT-UHFFFAOYSA-N 1 2 245.282 1.053 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ncccn1 ZINC000579130931 366721894 /nfs/dbraw/zinc/72/18/94/366721894.db2.gz WAMFXKDKWRKGIC-NSHDSACASA-N 1 2 243.314 1.377 20 0 BDADLO COCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579023619 366698017 /nfs/dbraw/zinc/69/80/17/366698017.db2.gz VCFSYUXZTVTYFE-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO COCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579023619 366698020 /nfs/dbraw/zinc/69/80/20/366698020.db2.gz VCFSYUXZTVTYFE-UWVGGRQHSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccco1 ZINC000428445020 201017547 /nfs/dbraw/zinc/01/75/47/201017547.db2.gz FCRXEZCSUVTCQF-GFCCVEGCSA-N 1 2 236.315 1.722 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccco1 ZINC000428445020 201017549 /nfs/dbraw/zinc/01/75/49/201017549.db2.gz FCRXEZCSUVTCQF-GFCCVEGCSA-N 1 2 236.315 1.722 20 0 BDADLO Nc1ccc(NC(=O)CCOCC2CC2)c[nH+]1 ZINC000428906946 201047696 /nfs/dbraw/zinc/04/76/96/201047696.db2.gz MWEAEUDMCGCZSW-UHFFFAOYSA-N 1 2 235.287 1.249 20 0 BDADLO OC[C@@H]([NH2+]Cc1cocn1)c1cccc(F)c1 ZINC000428878518 201048671 /nfs/dbraw/zinc/04/86/71/201048671.db2.gz ZWLLINBZIGPGPW-GFCCVEGCSA-N 1 2 236.246 1.637 20 0 BDADLO Cc1cc(N2CC[C@H](C)[S@](=O)CC2)nc[nH+]1 ZINC000428664141 201032798 /nfs/dbraw/zinc/03/27/98/201032798.db2.gz AKOFUFNCWJRXAE-MGPLVRAMSA-N 1 2 239.344 1.132 20 0 BDADLO Cc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)ncn1 ZINC000428964487 201052139 /nfs/dbraw/zinc/05/21/39/201052139.db2.gz GLYBVFVKLSCTFR-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)ncn1 ZINC000428964487 201052142 /nfs/dbraw/zinc/05/21/42/201052142.db2.gz GLYBVFVKLSCTFR-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000428987465 201059317 /nfs/dbraw/zinc/05/93/17/201059317.db2.gz WBLTXSMGAHODOZ-ZETCQYMHSA-N 1 2 225.210 1.434 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000428987465 201059320 /nfs/dbraw/zinc/05/93/20/201059320.db2.gz WBLTXSMGAHODOZ-ZETCQYMHSA-N 1 2 225.210 1.434 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ncn1 ZINC000428989664 201059949 /nfs/dbraw/zinc/05/99/49/201059949.db2.gz FCLXCJGZMHZFAU-BXUZGUMPSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ncn1 ZINC000428989664 201059952 /nfs/dbraw/zinc/05/99/52/201059952.db2.gz FCLXCJGZMHZFAU-BXUZGUMPSA-N 1 2 247.342 1.784 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nncn1C(C)C ZINC000429274239 201087517 /nfs/dbraw/zinc/08/75/17/201087517.db2.gz OECFNXWMOQZBQN-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nncn1C(C)C ZINC000429274239 201087520 /nfs/dbraw/zinc/08/75/20/201087520.db2.gz OECFNXWMOQZBQN-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1ncnn1C(C)C ZINC000429273042 201087612 /nfs/dbraw/zinc/08/76/12/201087612.db2.gz LSUYGDCJYMILAC-SNVBAGLBSA-N 1 2 208.309 1.843 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1ncnn1C(C)C ZINC000429273042 201087615 /nfs/dbraw/zinc/08/76/15/201087615.db2.gz LSUYGDCJYMILAC-SNVBAGLBSA-N 1 2 208.309 1.843 20 0 BDADLO C[C@@H](CCO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631124327 361392737 /nfs/dbraw/zinc/39/27/37/361392737.db2.gz JQJNQZVDBBAJEN-QMMMGPOBSA-N 1 2 246.314 1.440 20 0 BDADLO CC[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)OC ZINC000429234551 201079826 /nfs/dbraw/zinc/07/98/26/201079826.db2.gz OVLPJYDOCPKXTG-PWSUYJOCSA-N 1 2 249.310 1.401 20 0 BDADLO Cc1nc(C[NH2+][C@H]2Cc3cccc(O)c3C2)no1 ZINC000429238836 201084193 /nfs/dbraw/zinc/08/41/93/201084193.db2.gz SBNHVSAYRXRGFO-JTQLQIEISA-N 1 2 245.282 1.341 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)ncn1 ZINC000309859489 491157518 /nfs/dbraw/zinc/15/75/18/491157518.db2.gz LVZGJNOORYAXQX-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC12CCCC2 ZINC000579368747 366771386 /nfs/dbraw/zinc/77/13/86/366771386.db2.gz RGPJADBGGRMQGA-LLVKDONJSA-N 1 2 248.330 1.552 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000579438140 366796877 /nfs/dbraw/zinc/79/68/77/366796877.db2.gz MBRPPEDOMQVYMW-YUSALJHKSA-N 1 2 240.303 1.438 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1(C)CC1 ZINC000429723855 201130601 /nfs/dbraw/zinc/13/06/01/201130601.db2.gz NXUGYGGBCSHBLJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cc([NH2+]CCC(N)=O)cc(C)c1O ZINC000579465798 366815774 /nfs/dbraw/zinc/81/57/74/366815774.db2.gz LRSOYIQODSSMMX-UHFFFAOYSA-N 1 2 208.261 1.296 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000629594426 361486028 /nfs/dbraw/zinc/48/60/28/361486028.db2.gz CIMPOBLIWOIDQQ-RXMQYKEDSA-N 1 2 221.169 1.545 20 0 BDADLO CO[C@@H](C)C[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433308228 201179051 /nfs/dbraw/zinc/17/90/51/201179051.db2.gz XXGARUJVDFHKGB-QPUJVOFHSA-N 1 2 239.319 1.628 20 0 BDADLO CNC(=O)CCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433775725 201194127 /nfs/dbraw/zinc/19/41/27/201194127.db2.gz SUSBREZDCJNKDY-UHFFFAOYSA-N 1 2 247.302 1.156 20 0 BDADLO COC[C@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433772902 201194354 /nfs/dbraw/zinc/19/43/54/201194354.db2.gz FIXYBOMXVAJDBO-QMMMGPOBSA-N 1 2 234.303 1.737 20 0 BDADLO CC[C@@](C)(O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433787643 201194953 /nfs/dbraw/zinc/19/49/53/201194953.db2.gz WRODTAIPSDSQGX-GFCCVEGCSA-N 1 2 234.303 1.261 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC(C)(C)C)c1 ZINC000170275088 361574573 /nfs/dbraw/zinc/57/45/73/361574573.db2.gz DUINZLSRSKZCNW-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC1(O)CCC1 ZINC000631593709 361577685 /nfs/dbraw/zinc/57/76/85/361577685.db2.gz FNQYZRNZXRTEPP-UHFFFAOYSA-N 1 2 237.303 1.030 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@@H]1CCSC1 ZINC000434475038 201222626 /nfs/dbraw/zinc/22/26/26/201222626.db2.gz UXRRQAWVIVPCMJ-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000434475038 201222631 /nfs/dbraw/zinc/22/26/31/201222631.db2.gz UXRRQAWVIVPCMJ-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000154452258 201278387 /nfs/dbraw/zinc/27/83/87/201278387.db2.gz VSAUSBXLUZJQSM-SECBINFHSA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000154452258 201278390 /nfs/dbraw/zinc/27/83/90/201278390.db2.gz VSAUSBXLUZJQSM-SECBINFHSA-N 1 2 227.333 1.273 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCCCn1cc[nH+]c1 ZINC000448564345 201288504 /nfs/dbraw/zinc/28/85/04/201288504.db2.gz GQJJXYOHSXEGBF-AGIUHOORSA-N 1 2 247.342 1.826 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000435957256 201303458 /nfs/dbraw/zinc/30/34/58/201303458.db2.gz JAJZBOJRVDLFRQ-KGYLQXTDSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1[nH]cc(-c2cc3c(cc2CO)OCCO3)[nH+]1 ZINC000629748736 361681483 /nfs/dbraw/zinc/68/14/83/361681483.db2.gz AYCHDAIRHOWVRD-UHFFFAOYSA-N 1 2 246.266 1.649 20 0 BDADLO C[N@H+](Cc1nnc2n1CCOC2)[C@H]1CC1(C)C ZINC000436105632 201310482 /nfs/dbraw/zinc/31/04/82/201310482.db2.gz SHJXICVGJNUNAN-VIFPVBQESA-N 1 2 236.319 1.039 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCOC2)[C@H]1CC1(C)C ZINC000436105632 201310486 /nfs/dbraw/zinc/31/04/86/201310486.db2.gz SHJXICVGJNUNAN-VIFPVBQESA-N 1 2 236.319 1.039 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000436041390 201307560 /nfs/dbraw/zinc/30/75/60/201307560.db2.gz CXVZFAMVOQBFMH-QJPTWQEYSA-N 1 2 240.347 1.012 20 0 BDADLO COc1ccc(CNc2cc(C)[nH+]cn2)nc1 ZINC000436434141 201327650 /nfs/dbraw/zinc/32/76/50/201327650.db2.gz VSKZOLLUXHUWTR-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO Cn1nnnc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437827725 201376754 /nfs/dbraw/zinc/37/67/54/201376754.db2.gz GMOSTWQYZXOMCW-LBPRGKRZSA-N 1 2 243.314 1.027 20 0 BDADLO Cn1nnnc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437827725 201376758 /nfs/dbraw/zinc/37/67/58/201376758.db2.gz GMOSTWQYZXOMCW-LBPRGKRZSA-N 1 2 243.314 1.027 20 0 BDADLO COc1cc(NCc2[nH+]ccn2C(C)C)[nH]n1 ZINC000623628600 363855477 /nfs/dbraw/zinc/85/54/77/363855477.db2.gz SSHSAJDZSNXYEX-UHFFFAOYSA-N 1 2 235.291 1.808 20 0 BDADLO CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029067829 541313029 /nfs/dbraw/zinc/31/30/29/541313029.db2.gz LUHNAEOMOOCUDI-GFCCVEGCSA-N 1 2 229.283 1.646 20 0 BDADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn[nH]1 ZINC000625678424 541324919 /nfs/dbraw/zinc/32/49/19/541324919.db2.gz CGBCWDLQZJKYHE-DTORHVGOSA-N 1 2 228.246 1.567 20 0 BDADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn[nH]1 ZINC000625678424 541324924 /nfs/dbraw/zinc/32/49/24/541324924.db2.gz CGBCWDLQZJKYHE-DTORHVGOSA-N 1 2 228.246 1.567 20 0 BDADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nn1 ZINC000625678424 541324927 /nfs/dbraw/zinc/32/49/27/541324927.db2.gz CGBCWDLQZJKYHE-DTORHVGOSA-N 1 2 228.246 1.567 20 0 BDADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nn1 ZINC000625678424 541324930 /nfs/dbraw/zinc/32/49/30/541324930.db2.gz CGBCWDLQZJKYHE-DTORHVGOSA-N 1 2 228.246 1.567 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614799737 363977769 /nfs/dbraw/zinc/97/77/69/363977769.db2.gz VBPVRKVAFVEYAH-UTLUCORTSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614799737 363977774 /nfs/dbraw/zinc/97/77/74/363977774.db2.gz VBPVRKVAFVEYAH-UTLUCORTSA-N 1 2 233.315 1.429 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCCO1 ZINC000622082559 370700078 /nfs/dbraw/zinc/70/00/78/370700078.db2.gz PKABBJZEKCVJTB-ZJUUUORDSA-N 1 2 237.303 1.259 20 0 BDADLO CSc1ccc(C[NH2+]Cc2ncnn2C)cc1 ZINC000080532396 370775704 /nfs/dbraw/zinc/77/57/04/370775704.db2.gz UWWUOVQRLRFUPV-UHFFFAOYSA-N 1 2 248.355 1.827 20 0 BDADLO O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000615039497 364403678 /nfs/dbraw/zinc/40/36/78/364403678.db2.gz MFBBXFVALGXUQD-RTXFEEFZSA-N 1 2 245.326 1.662 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000615039101 364405303 /nfs/dbraw/zinc/40/53/03/364405303.db2.gz DNYIEAKCTXPQDL-CMPLNLGQSA-N 1 2 249.314 1.040 20 0 BDADLO COc1cc(NC(=O)CCc2c[nH+]c[nH]2)ccn1 ZINC000615006635 364350446 /nfs/dbraw/zinc/35/04/46/364350446.db2.gz UIAAIBKGTPTXID-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1cc(NC(=O)CCc2c[nH]c[nH+]2)ccn1 ZINC000615006635 364350451 /nfs/dbraw/zinc/35/04/51/364350451.db2.gz UIAAIBKGTPTXID-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COC(=O)CCC[N@H+](CC(F)F)C(C)C ZINC000135395406 364436067 /nfs/dbraw/zinc/43/60/67/364436067.db2.gz AQGCVUJFLYLWPS-UHFFFAOYSA-N 1 2 223.263 1.915 20 0 BDADLO COC(=O)CCC[N@@H+](CC(F)F)C(C)C ZINC000135395406 364436069 /nfs/dbraw/zinc/43/60/69/364436069.db2.gz AQGCVUJFLYLWPS-UHFFFAOYSA-N 1 2 223.263 1.915 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2CCO)[nH]1 ZINC000181683305 366837387 /nfs/dbraw/zinc/83/73/87/366837387.db2.gz PEDTWRBOJWQQCD-SNVBAGLBSA-N 1 2 238.335 1.104 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2CCO)[nH]1 ZINC000181683305 366837391 /nfs/dbraw/zinc/83/73/91/366837391.db2.gz PEDTWRBOJWQQCD-SNVBAGLBSA-N 1 2 238.335 1.104 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnoc1C ZINC000181746372 366845769 /nfs/dbraw/zinc/84/57/69/366845769.db2.gz CCUKKGKLUGGBKB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnoc1C ZINC000181746372 366845774 /nfs/dbraw/zinc/84/57/74/366845774.db2.gz CCUKKGKLUGGBKB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(O)c1 ZINC000615157555 364547181 /nfs/dbraw/zinc/54/71/81/364547181.db2.gz DFZHCJZLZHSBKO-MRVPVSSYSA-N 1 2 246.270 1.310 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc[nH]2)CC[C@@H]1O ZINC000275466950 364758364 /nfs/dbraw/zinc/75/83/64/364758364.db2.gz NZKBLWFHTNJADP-VIFPVBQESA-N 1 2 209.293 1.003 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1O ZINC000275466950 364758371 /nfs/dbraw/zinc/75/83/71/364758371.db2.gz NZKBLWFHTNJADP-VIFPVBQESA-N 1 2 209.293 1.003 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccccc2F)[nH]1 ZINC000295962845 364782606 /nfs/dbraw/zinc/78/26/06/364782606.db2.gz HYRAZVFRYUZSDD-UHFFFAOYSA-N 1 2 234.278 1.796 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000573555556 364859025 /nfs/dbraw/zinc/85/90/25/364859025.db2.gz WIINBYYELRYBDQ-OUAUKWLOSA-N 1 2 248.330 1.940 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000580515186 364822757 /nfs/dbraw/zinc/82/27/57/364822757.db2.gz PHRKYBVYEOYBIN-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000580515186 364822764 /nfs/dbraw/zinc/82/27/64/364822764.db2.gz PHRKYBVYEOYBIN-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)c1[nH]cc[nH+]1 ZINC000328527054 364866281 /nfs/dbraw/zinc/86/62/81/364866281.db2.gz UZGITPXFDOEAKE-RNFRBKRXSA-N 1 2 231.246 1.878 20 0 BDADLO Nc1nc(N2CCC[C@H]2CF)[nH+]c2ccccc12 ZINC000573694213 364894473 /nfs/dbraw/zinc/89/44/73/364894473.db2.gz XIZXWPUVVMFPSO-VIFPVBQESA-N 1 2 246.289 1.981 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000573989973 364963458 /nfs/dbraw/zinc/96/34/58/364963458.db2.gz PBQBTJYQRCFPAD-WCBMZHEXSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000573989973 364963462 /nfs/dbraw/zinc/96/34/62/364963462.db2.gz PBQBTJYQRCFPAD-WCBMZHEXSA-N 1 2 207.277 1.257 20 0 BDADLO CCN(CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC000573991408 364963508 /nfs/dbraw/zinc/96/35/08/364963508.db2.gz ZSYONWCRVVCYHN-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CC[C@@H](F)C1)n1cc[nH+]c1 ZINC000574210477 365010662 /nfs/dbraw/zinc/01/06/62/365010662.db2.gz VSJJIADRETYVEJ-MXWKQRLJSA-N 1 2 239.294 1.841 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCC[C@@](C)(O)C2)on1 ZINC000574355465 365043798 /nfs/dbraw/zinc/04/37/98/365043798.db2.gz UZJATCKZYPQKKV-GFCCVEGCSA-N 1 2 238.287 1.224 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCC[C@@](C)(O)C2)on1 ZINC000574355465 365043799 /nfs/dbraw/zinc/04/37/99/365043799.db2.gz UZJATCKZYPQKKV-GFCCVEGCSA-N 1 2 238.287 1.224 20 0 BDADLO C[C@@H](CC(=O)Nc1ccncc1)n1cc[nH+]c1 ZINC000574471430 365070922 /nfs/dbraw/zinc/07/09/22/365070922.db2.gz KRJOEKGYCLNIAY-JTQLQIEISA-N 1 2 230.271 1.290 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574753821 365135889 /nfs/dbraw/zinc/13/58/89/365135889.db2.gz ARTGLXQDRVLSSH-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000574753821 365135897 /nfs/dbraw/zinc/13/58/97/365135897.db2.gz ARTGLXQDRVLSSH-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO CC[C@H](NC(=O)Cn1cc(C)cn1)c1[nH]cc[nH+]1 ZINC000442807157 192993655 /nfs/dbraw/zinc/99/36/55/192993655.db2.gz DIWVYHBBTZULJY-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO Cc1cc(N2CCC[C@H](n3ccnn3)C2)nc[nH+]1 ZINC000574751432 365134894 /nfs/dbraw/zinc/13/48/94/365134894.db2.gz DNKWXKCMHBWYBQ-NSHDSACASA-N 1 2 244.302 1.218 20 0 BDADLO C[C@H](CC(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000574880136 365166721 /nfs/dbraw/zinc/16/67/21/365166721.db2.gz JSYZAEWVVVLWEZ-SNVBAGLBSA-N 1 2 221.304 1.893 20 0 BDADLO Cc1cnccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000575039990 365172835 /nfs/dbraw/zinc/17/28/35/365172835.db2.gz YGYLRGWCXZTLFJ-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@H](F)C2)n1 ZINC000574763234 365139473 /nfs/dbraw/zinc/13/94/73/365139473.db2.gz NXWDFZULAMOJGJ-VIFPVBQESA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@H](F)C2)n1 ZINC000574763234 365139478 /nfs/dbraw/zinc/13/94/78/365139478.db2.gz NXWDFZULAMOJGJ-VIFPVBQESA-N 1 2 225.267 1.419 20 0 BDADLO COc1ccc(O)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000444013881 193033400 /nfs/dbraw/zinc/03/34/00/193033400.db2.gz OCFXNZPCNYEAQG-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO CN(C(=O)[C@H]([NH3+])c1cscn1)C1CCCC1 ZINC000575173623 365227118 /nfs/dbraw/zinc/22/71/18/365227118.db2.gz JYPZVQBTLBIWCE-SNVBAGLBSA-N 1 2 239.344 1.544 20 0 BDADLO CCC[N@H+](CCCNC(C)=O)CC(F)F ZINC000171350341 365192084 /nfs/dbraw/zinc/19/20/84/365192084.db2.gz GKNHZQANMKSUFX-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CCC[N@@H+](CCCNC(C)=O)CC(F)F ZINC000171350341 365192089 /nfs/dbraw/zinc/19/20/89/365192089.db2.gz GKNHZQANMKSUFX-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO Cn1cc[nH+]c1C[C@@H](NC(N)=O)c1ccccc1 ZINC000080629723 370803405 /nfs/dbraw/zinc/80/34/05/370803405.db2.gz JJIYOTBJYHWJBB-LLVKDONJSA-N 1 2 244.298 1.372 20 0 BDADLO Cn1c[nH+]cc1CN(CCCO)c1ccccc1 ZINC000444237258 193042149 /nfs/dbraw/zinc/04/21/49/193042149.db2.gz DXERXJRQNLVONH-UHFFFAOYSA-N 1 2 245.326 1.809 20 0 BDADLO CN(CC1CCC1)c1[nH+]cnc2c1cnn2C ZINC000171944378 365260231 /nfs/dbraw/zinc/26/02/31/365260231.db2.gz QZYFLFKTDJZCQY-UHFFFAOYSA-N 1 2 231.303 1.600 20 0 BDADLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccn[nH]1 ZINC000171734632 365229883 /nfs/dbraw/zinc/22/98/83/365229883.db2.gz NMUQOFXCXGVMKK-VIFPVBQESA-N 1 2 239.319 1.620 20 0 BDADLO C[C@@H](CC(=O)N1CCCCC1)n1cc[nH+]c1 ZINC000575320994 365288397 /nfs/dbraw/zinc/28/83/97/365288397.db2.gz PJJKMMLMVNURKV-NSHDSACASA-N 1 2 221.304 1.847 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182246537 366877678 /nfs/dbraw/zinc/87/76/78/366877678.db2.gz AVFRWMPNPYJARJ-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000575928047 365418187 /nfs/dbraw/zinc/41/81/87/365418187.db2.gz NKHPSBOCPCFAFC-ZMLRMANQSA-N 1 2 248.330 1.369 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000337564252 365405468 /nfs/dbraw/zinc/40/54/68/365405468.db2.gz VFBODFIMVBVASN-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000576085306 365476727 /nfs/dbraw/zinc/47/67/27/365476727.db2.gz FBHLTAVPUZEZRL-SNVBAGLBSA-N 1 2 233.315 1.703 20 0 BDADLO COC[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579600040 366900465 /nfs/dbraw/zinc/90/04/65/366900465.db2.gz IORVSBPJUPISIS-WDEREUQCSA-N 1 2 239.319 1.233 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1noc(C)n1 ZINC000182633309 366924684 /nfs/dbraw/zinc/92/46/84/366924684.db2.gz RNDPCNBUUUMZIM-QMMMGPOBSA-N 1 2 241.291 1.152 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC000182633309 366924686 /nfs/dbraw/zinc/92/46/86/366924686.db2.gz RNDPCNBUUUMZIM-QMMMGPOBSA-N 1 2 241.291 1.152 20 0 BDADLO CCC[C@@H]([NH2+]Cc1ncnn1C)c1ccccn1 ZINC000179474760 541504522 /nfs/dbraw/zinc/50/45/22/541504522.db2.gz JBNYOSWGUHWLJA-LLVKDONJSA-N 1 2 245.330 1.841 20 0 BDADLO CC[C@@]1(Nc2[nH+]cnc3c2cnn3C)CCOC1 ZINC000386224395 541516447 /nfs/dbraw/zinc/51/64/47/541516447.db2.gz OWAKELBYKIAEIF-GFCCVEGCSA-N 1 2 247.302 1.344 20 0 BDADLO Cc1[nH]c(CNCc2nnc(C(C)C)[nH]2)[nH+]c1C ZINC000579732806 366998745 /nfs/dbraw/zinc/99/87/45/366998745.db2.gz CAUYISWREIHKDD-UHFFFAOYSA-N 1 2 248.334 1.558 20 0 BDADLO CCc1nc(CCNc2nc(C)[nH+]cc2C)no1 ZINC000579734547 366999544 /nfs/dbraw/zinc/99/95/44/366999544.db2.gz VRWRFQIIKYGRBM-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO Cn1ncnc1SCc1cn2ccccc2[nH+]1 ZINC000184149767 367065621 /nfs/dbraw/zinc/06/56/21/367065621.db2.gz HKHIOZDDYAJTEA-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC12CC2 ZINC000622284021 370818401 /nfs/dbraw/zinc/81/84/01/370818401.db2.gz LIMQZDKLPCRBEW-SECBINFHSA-N 1 2 219.288 1.179 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc[nH]c2)[nH+]1 ZINC000580719934 367148837 /nfs/dbraw/zinc/14/88/37/367148837.db2.gz FFKVNPMQGQBRSM-UHFFFAOYSA-N 1 2 232.287 1.711 20 0 BDADLO CCCC(C)(C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000622337628 370853089 /nfs/dbraw/zinc/85/30/89/370853089.db2.gz DYXTYYUSQWNFJK-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCC(C)(C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000622337628 370853093 /nfs/dbraw/zinc/85/30/93/370853093.db2.gz DYXTYYUSQWNFJK-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCCOCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000580968475 367222802 /nfs/dbraw/zinc/22/28/02/367222802.db2.gz VOLJYTYZJWNZKO-SECBINFHSA-N 1 2 225.292 1.404 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@H](F)C1 ZINC000580956269 367217092 /nfs/dbraw/zinc/21/70/92/367217092.db2.gz PHNAQJVCTBKHEO-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@H](F)C1 ZINC000580956269 367217097 /nfs/dbraw/zinc/21/70/97/367217097.db2.gz PHNAQJVCTBKHEO-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO O=c1[nH]nc(C[NH2+][C@@H](c2cccnc2)C2CC2)[nH]1 ZINC000581135309 367273005 /nfs/dbraw/zinc/27/30/05/367273005.db2.gz FUMDUTLJCLFNRO-LLVKDONJSA-N 1 2 245.286 1.146 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CCCCO1)c1[nH]cc[nH+]1 ZINC000581021948 367240029 /nfs/dbraw/zinc/24/00/29/367240029.db2.gz GFGZRPDHJBXORQ-BXKDBHETSA-N 1 2 237.303 1.546 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000194993080 367329527 /nfs/dbraw/zinc/32/95/27/367329527.db2.gz XTWZPJSCIZEJFS-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(F)cc1F ZINC000194993080 367329528 /nfs/dbraw/zinc/32/95/28/367329528.db2.gz XTWZPJSCIZEJFS-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000195061953 367333499 /nfs/dbraw/zinc/33/34/99/367333499.db2.gz IZUVHGSRGNTJSX-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000195061953 367333505 /nfs/dbraw/zinc/33/35/05/367333505.db2.gz IZUVHGSRGNTJSX-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1csc(C)c1 ZINC000381110988 367352083 /nfs/dbraw/zinc/35/20/83/367352083.db2.gz CDIBPVVVYKUZOY-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C)[C@@H]1C ZINC000380743508 367295446 /nfs/dbraw/zinc/29/54/46/367295446.db2.gz CMTVTPHXIYNEIP-SFYZADRCSA-N 1 2 222.292 1.302 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C)[C@@H]1C ZINC000380743508 367295451 /nfs/dbraw/zinc/29/54/51/367295451.db2.gz CMTVTPHXIYNEIP-SFYZADRCSA-N 1 2 222.292 1.302 20 0 BDADLO Cc1ncc(C)c(NCCNc2cccc[nH+]2)n1 ZINC000581399840 367429633 /nfs/dbraw/zinc/42/96/33/367429633.db2.gz JCUYCIQTHULVAU-UHFFFAOYSA-N 1 2 243.314 1.434 20 0 BDADLO CC(C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000581403466 367431920 /nfs/dbraw/zinc/43/19/20/367431920.db2.gz SZMYZBLZGOLKID-LBPRGKRZSA-N 1 2 235.331 1.920 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCC1(C)C ZINC000622352769 370863701 /nfs/dbraw/zinc/86/37/01/370863701.db2.gz LLGGZPXWYHCFLA-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCCC1(C)C ZINC000622352769 370863706 /nfs/dbraw/zinc/86/37/06/370863706.db2.gz LLGGZPXWYHCFLA-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC1(F)F ZINC000622361440 370868589 /nfs/dbraw/zinc/86/85/89/370868589.db2.gz HCLGCVCGHJYFDR-ZCFIWIBFSA-N 1 2 215.203 1.023 20 0 BDADLO Cc1ccc(F)c(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000622384792 370882386 /nfs/dbraw/zinc/88/23/86/370882386.db2.gz RZTYFFDSETUQJB-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1ccc(F)c(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000622384792 370882391 /nfs/dbraw/zinc/88/23/91/370882391.db2.gz RZTYFFDSETUQJB-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cncnc1C1CC1 ZINC000622366805 370871230 /nfs/dbraw/zinc/87/12/30/370871230.db2.gz PYVFVSCOQSLYNE-UHFFFAOYSA-N 1 2 243.270 1.007 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000385724328 367858516 /nfs/dbraw/zinc/85/85/16/367858516.db2.gz SPPHNTWVWCMPQX-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000385724328 367858518 /nfs/dbraw/zinc/85/85/18/367858518.db2.gz SPPHNTWVWCMPQX-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000015296471 367937822 /nfs/dbraw/zinc/93/78/22/367937822.db2.gz RUCZPCTXHSLRNN-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)o1 ZINC000015296471 367937828 /nfs/dbraw/zinc/93/78/28/367937828.db2.gz RUCZPCTXHSLRNN-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO CSCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000021141422 367974118 /nfs/dbraw/zinc/97/41/18/367974118.db2.gz FLBRMSUIILUAAR-UHFFFAOYSA-N 1 2 249.339 1.356 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CC12CCOCC2)C(=O)OC ZINC000387007505 368040585 /nfs/dbraw/zinc/04/05/85/368040585.db2.gz MZGNECAKIHLBLO-NXEZZACHSA-N 1 2 227.304 1.097 20 0 BDADLO COc1cccc(C(F)(F)C[NH2+]C[C@H](C)O)n1 ZINC000581999034 368104772 /nfs/dbraw/zinc/10/47/72/368104772.db2.gz MGSRPURNXPEKMW-QMMMGPOBSA-N 1 2 246.257 1.152 20 0 BDADLO CC(C)(NC(=O)c1ccccn1)c1[nH]cc[nH+]1 ZINC000582008368 368130956 /nfs/dbraw/zinc/13/09/56/368130956.db2.gz KNFZSBHZUMVPJS-UHFFFAOYSA-N 1 2 230.271 1.470 20 0 BDADLO O[C@@H]1CC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@H]12 ZINC000252843333 368162743 /nfs/dbraw/zinc/16/27/43/368162743.db2.gz BHMJMVPXTVIAHF-OUJBWJOFSA-N 1 2 243.310 1.770 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@H]12 ZINC000252843332 368163122 /nfs/dbraw/zinc/16/31/22/368163122.db2.gz BHMJMVPXTVIAHF-GBIKHYSHSA-N 1 2 243.310 1.770 20 0 BDADLO CCn1cc[nH+]c1CNc1cncc(N(C)C)c1 ZINC000630957187 368153729 /nfs/dbraw/zinc/15/37/29/368153729.db2.gz OENYVVJVPDFTAT-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CSCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000028697404 368241718 /nfs/dbraw/zinc/24/17/18/368241718.db2.gz PERGYSFPPLFTML-UHFFFAOYSA-N 1 2 249.339 1.704 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCC1(C)C ZINC000615710300 368219282 /nfs/dbraw/zinc/21/92/82/368219282.db2.gz MYYFQQSHWHSJJH-SNVBAGLBSA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ncccc1F ZINC000615711354 368219335 /nfs/dbraw/zinc/21/93/35/368219335.db2.gz XMANELCOORMRAK-UHFFFAOYSA-N 1 2 248.261 1.367 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N3CCOC3)cc2n1C ZINC000615766773 368296576 /nfs/dbraw/zinc/29/65/76/368296576.db2.gz ZGSXMDQISKHMEX-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO COC[C@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000446041705 201663557 /nfs/dbraw/zinc/66/35/57/201663557.db2.gz JTVIUKMOFBEEAS-SNVBAGLBSA-N 1 2 247.298 1.945 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1c(C)noc1C ZINC000045805064 368430173 /nfs/dbraw/zinc/43/01/73/368430173.db2.gz NAAXWKPSBGKIKU-UHFFFAOYSA-N 1 2 239.319 1.379 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1c(C)noc1C ZINC000045805064 368430177 /nfs/dbraw/zinc/43/01/77/368430177.db2.gz NAAXWKPSBGKIKU-UHFFFAOYSA-N 1 2 239.319 1.379 20 0 BDADLO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCNC(=O)C1 ZINC000046037735 368434853 /nfs/dbraw/zinc/43/48/53/368434853.db2.gz XGJUNVHAVSLHIA-RYUDHWBXSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCNC(=O)C1 ZINC000046037735 368434856 /nfs/dbraw/zinc/43/48/56/368434856.db2.gz XGJUNVHAVSLHIA-RYUDHWBXSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1ccc(NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000057778899 368500582 /nfs/dbraw/zinc/50/05/82/368500582.db2.gz MCWIDTZSXNSQGL-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO COC[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000057776449 368500617 /nfs/dbraw/zinc/50/06/17/368500617.db2.gz DURGTPKFDJDJRU-SECBINFHSA-N 1 2 233.271 1.099 20 0 BDADLO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)N(C)C ZINC000057852721 368501414 /nfs/dbraw/zinc/50/14/14/368501414.db2.gz ZSBJULNGUBQOGX-SECBINFHSA-N 1 2 249.339 1.903 20 0 BDADLO O=C(C[C@@H]1CCCO1)NCCNc1cccc[nH+]1 ZINC000063704880 368592237 /nfs/dbraw/zinc/59/22/37/368592237.db2.gz SIKIETWFKMPVRK-NSHDSACASA-N 1 2 249.314 1.179 20 0 BDADLO CCO[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000063704910 368592824 /nfs/dbraw/zinc/59/28/24/368592824.db2.gz ZMGJXSWMDOCVNW-JTQLQIEISA-N 1 2 237.303 1.035 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N1CCC1 ZINC000615910141 368644064 /nfs/dbraw/zinc/64/40/64/368644064.db2.gz BQAZWZZNIQCGHA-UHFFFAOYSA-N 1 2 222.292 1.079 20 0 BDADLO CSC[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000066822985 368662931 /nfs/dbraw/zinc/66/29/31/368662931.db2.gz ZSMZMTKLNCCBFA-NXEZZACHSA-N 1 2 241.360 1.387 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000068301267 368721999 /nfs/dbraw/zinc/72/19/99/368721999.db2.gz QMKSZQXQESAYEN-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000068301267 368722002 /nfs/dbraw/zinc/72/20/02/368722002.db2.gz QMKSZQXQESAYEN-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CSCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456856580 202986367 /nfs/dbraw/zinc/98/63/67/202986367.db2.gz JSFLPDXECSLGAV-UHFFFAOYSA-N 1 2 224.329 1.678 20 0 BDADLO CC(C)(NC(=O)CCc1ccon1)c1[nH]cc[nH+]1 ZINC000615951741 368758352 /nfs/dbraw/zinc/75/83/52/368758352.db2.gz AOOPGJBWSJUCTE-UHFFFAOYSA-N 1 2 248.286 1.382 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCc1ccco1 ZINC000070793431 368765203 /nfs/dbraw/zinc/76/52/03/368765203.db2.gz BQFWPRSWZQWJGH-UHFFFAOYSA-N 1 2 231.255 1.403 20 0 BDADLO C[C@H](C(=O)NCCCn1cc[nH+]c1)C1CCC1 ZINC000457363421 203045152 /nfs/dbraw/zinc/04/51/52/203045152.db2.gz BKVHCHNHIQPMGC-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000073646714 368811722 /nfs/dbraw/zinc/81/17/22/368811722.db2.gz BPAJYTRXQJLNLJ-IJLUTSLNSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000073791246 368817392 /nfs/dbraw/zinc/81/73/92/368817392.db2.gz AKMMLKRKLVLYNA-GFCCVEGCSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)S1 ZINC000074095383 368829086 /nfs/dbraw/zinc/82/90/86/368829086.db2.gz CXMSKTNPUCXDTA-AOOOYVTPSA-N 1 2 239.344 1.236 20 0 BDADLO Cc1ccc(-n2cc[nH+]c2)c(C(N)=O)c1 ZINC000072797048 368781168 /nfs/dbraw/zinc/78/11/68/368781168.db2.gz ADQRIGGFEUGEMY-UHFFFAOYSA-N 1 2 201.229 1.280 20 0 BDADLO CN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000072880923 368784313 /nfs/dbraw/zinc/78/43/13/368784313.db2.gz NOAVJNXFZVDQOV-UHFFFAOYSA-N 1 2 243.310 1.584 20 0 BDADLO C[C@H]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073074225 368792365 /nfs/dbraw/zinc/79/23/65/368792365.db2.gz OBZNJWQZPAZKMD-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)c2[nH+]ccn21 ZINC000615962359 368797991 /nfs/dbraw/zinc/79/79/91/368797991.db2.gz BWCLHKLPQMCALY-HTQZYQBOSA-N 1 2 231.259 1.042 20 0 BDADLO CCn1ccc(C[N@H+](C)CC(=O)OC)c1 ZINC000616133049 368973295 /nfs/dbraw/zinc/97/32/95/368973295.db2.gz UZKFMBIXFYORHN-UHFFFAOYSA-N 1 2 210.277 1.113 20 0 BDADLO CCn1ccc(C[N@@H+](C)CC(=O)OC)c1 ZINC000616133049 368973299 /nfs/dbraw/zinc/97/32/99/368973299.db2.gz UZKFMBIXFYORHN-UHFFFAOYSA-N 1 2 210.277 1.113 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N1CC(CO)C1 ZINC000091479240 369012808 /nfs/dbraw/zinc/01/28/08/369012808.db2.gz GCUYEILYILAGSI-UHFFFAOYSA-N 1 2 228.295 1.972 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000130813073 369088515 /nfs/dbraw/zinc/08/85/15/369088515.db2.gz ZAGQCTUJUCGQLJ-OPRDCNLKSA-N 1 2 231.336 1.730 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCc2ccccc21 ZINC000618373583 369129279 /nfs/dbraw/zinc/12/92/79/369129279.db2.gz FZAXWIHJJHHJBN-CYBMUJFWSA-N 1 2 241.294 1.687 20 0 BDADLO CC[C@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457857566 203113031 /nfs/dbraw/zinc/11/30/31/203113031.db2.gz MUUJRWXSFREDTM-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO Cc1ccsc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457887498 203119280 /nfs/dbraw/zinc/11/92/80/203119280.db2.gz RXHWHCMKZVTJNH-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)CF)CC2 ZINC000627298063 369195354 /nfs/dbraw/zinc/19/53/54/369195354.db2.gz AARWAOJBUKQYEF-PSASIEDQSA-N 1 2 239.294 1.228 20 0 BDADLO COCc1cc(C[N@@H+]2CCSC[C@@H]2C)no1 ZINC000459349935 203264469 /nfs/dbraw/zinc/26/44/69/203264469.db2.gz NZEOUBXEYZGWLX-VIFPVBQESA-N 1 2 242.344 1.758 20 0 BDADLO COCc1cc(C[N@H+]2CCSC[C@@H]2C)no1 ZINC000459349935 203264473 /nfs/dbraw/zinc/26/44/73/203264473.db2.gz NZEOUBXEYZGWLX-VIFPVBQESA-N 1 2 242.344 1.758 20 0 BDADLO COC(=O)c1cccnc1C[N@@H+]1CCC12CCC2 ZINC000459350679 203264726 /nfs/dbraw/zinc/26/47/26/203264726.db2.gz WJVZUEBEUWKNCY-UHFFFAOYSA-N 1 2 246.310 1.997 20 0 BDADLO COC(=O)c1cccnc1C[N@H+]1CCC12CCC2 ZINC000459350679 203264728 /nfs/dbraw/zinc/26/47/28/203264728.db2.gz WJVZUEBEUWKNCY-UHFFFAOYSA-N 1 2 246.310 1.997 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619369854 369328464 /nfs/dbraw/zinc/32/84/64/369328464.db2.gz DXNXHGYPUMHSRG-NNYUYHANSA-N 1 2 245.326 1.392 20 0 BDADLO COC(=O)C[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459519122 203296247 /nfs/dbraw/zinc/29/62/47/203296247.db2.gz CBQAWCNORVAELS-GFCCVEGCSA-N 1 2 243.347 1.326 20 0 BDADLO CC[C@@](COC)([NH2+]CC1(C)CCC1)C(=O)OC ZINC000459563242 203301108 /nfs/dbraw/zinc/30/11/08/203301108.db2.gz UXHVXWRJURJMHP-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO CCOc1cccc(C[NH+]2CC(C)(CO)C2)n1 ZINC000459618841 203315157 /nfs/dbraw/zinc/31/51/57/203315157.db2.gz GLOYLPBYLJLWPE-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO COCc1cc(C[N@@H+]2CC[C@H]2C2CC2)no1 ZINC000459583643 203303934 /nfs/dbraw/zinc/30/39/34/203303934.db2.gz SSVQURIROVMQRE-LBPRGKRZSA-N 1 2 222.288 1.805 20 0 BDADLO COCc1cc(C[N@H+]2CC[C@H]2C2CC2)no1 ZINC000459583643 203303936 /nfs/dbraw/zinc/30/39/36/203303936.db2.gz SSVQURIROVMQRE-LBPRGKRZSA-N 1 2 222.288 1.805 20 0 BDADLO CCOC1CN(Cc2c[nH+]c3cccc(C)n23)C1 ZINC000459612007 203317153 /nfs/dbraw/zinc/31/71/53/203317153.db2.gz TUJBATOJUVPOQY-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO COCC[N@H+](C)Cc1noc2c1CCCC2 ZINC000108855325 369413400 /nfs/dbraw/zinc/41/34/00/369413400.db2.gz RHIURSZJYDBVOH-UHFFFAOYSA-N 1 2 224.304 1.632 20 0 BDADLO COCC[N@@H+](C)Cc1noc2c1CCCC2 ZINC000108855325 369413406 /nfs/dbraw/zinc/41/34/06/369413406.db2.gz RHIURSZJYDBVOH-UHFFFAOYSA-N 1 2 224.304 1.632 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)OC ZINC000404113575 369420286 /nfs/dbraw/zinc/42/02/86/369420286.db2.gz WNNFKFDEBPLWRR-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)OC ZINC000404113575 369420289 /nfs/dbraw/zinc/42/02/89/369420289.db2.gz WNNFKFDEBPLWRR-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc[nH]n2)c(F)c1 ZINC000404987513 369441177 /nfs/dbraw/zinc/44/11/77/369441177.db2.gz FHHPXKVHUYLTKY-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]1C ZINC000619665158 369517213 /nfs/dbraw/zinc/51/72/13/369517213.db2.gz JSEHDYYHSPPXDR-VHSXEESVSA-N 1 2 222.292 1.075 20 0 BDADLO Cc1[nH]c(C(=O)NCC2=CCCC2)c[nH+]1 ZINC000620006027 369661987 /nfs/dbraw/zinc/66/19/87/369661987.db2.gz SLETUJXOHDDNOR-UHFFFAOYSA-N 1 2 205.261 1.558 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000620075879 369710673 /nfs/dbraw/zinc/71/06/73/369710673.db2.gz FDEHZXSIHMUXRD-GFCCVEGCSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000620074127 369707538 /nfs/dbraw/zinc/70/75/38/369707538.db2.gz BJUYVNLVBSJICK-YGRLFVJLSA-N 1 2 247.342 1.750 20 0 BDADLO CN(Cc1ccco1)C(=O)CCCn1cc[nH+]c1 ZINC000620499957 369897442 /nfs/dbraw/zinc/89/74/42/369897442.db2.gz WGJCUAUSTQLANB-UHFFFAOYSA-N 1 2 247.298 1.915 20 0 BDADLO C[C@H](NC(=O)CC1CCC1)c1[nH+]ccn1C ZINC000620600922 369950535 /nfs/dbraw/zinc/95/05/35/369950535.db2.gz RWBACEZSWPRILZ-VIFPVBQESA-N 1 2 221.304 1.788 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCO[C@H]1C)c1[nH+]ccn1C ZINC000620603728 369951738 /nfs/dbraw/zinc/95/17/38/369951738.db2.gz KWQPEIPGSGLDIW-LPEHRKFASA-N 1 2 237.303 1.022 20 0 BDADLO C[C@H](NC(=O)CC1(C)CC1)c1[nH+]ccn1C ZINC000620605319 369953342 /nfs/dbraw/zinc/95/33/42/369953342.db2.gz AMFAOAAIQFUTQZ-VIFPVBQESA-N 1 2 221.304 1.788 20 0 BDADLO CCn1ccnc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606582 369954083 /nfs/dbraw/zinc/95/40/83/369954083.db2.gz WUZBSNIUVNEJAA-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO Cc1ccn(C)c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605659 369954884 /nfs/dbraw/zinc/95/48/84/369954884.db2.gz IDDCXLLHZBASGB-JTQLQIEISA-N 1 2 246.314 1.558 20 0 BDADLO CCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620647718 369972495 /nfs/dbraw/zinc/97/24/95/369972495.db2.gz JDLGEHHJGVLGTR-UHFFFAOYSA-N 1 2 203.245 1.991 20 0 BDADLO Cc1cn2ccc(NC(=O)C3CC3)cc2[nH+]1 ZINC000620647409 369972591 /nfs/dbraw/zinc/97/25/91/369972591.db2.gz BTJDYVHFYYBQML-UHFFFAOYSA-N 1 2 215.256 1.991 20 0 BDADLO Cc1cn2ccc(NC(=O)C(C)(C)CO)cc2[nH+]1 ZINC000620651087 369972643 /nfs/dbraw/zinc/97/26/43/369972643.db2.gz JHUBHFSJXSFZMN-UHFFFAOYSA-N 1 2 247.298 1.600 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000620543313 369910941 /nfs/dbraw/zinc/91/09/41/369910941.db2.gz IWRPKBNHXNUSTC-UMNHJUIQSA-N 1 2 237.303 1.128 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccnc(OC)c1 ZINC000062058147 369942239 /nfs/dbraw/zinc/94/22/39/369942239.db2.gz VPWLLOFJWLZITI-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCCOCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594031 369946337 /nfs/dbraw/zinc/94/63/37/369946337.db2.gz AZXDUXYZIREJMH-SECBINFHSA-N 1 2 225.292 1.024 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597258 369947556 /nfs/dbraw/zinc/94/75/56/369947556.db2.gz YNUKJYPVLWPVNR-RKDXNWHRSA-N 1 2 225.292 1.022 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1C ZINC000620597493 369947745 /nfs/dbraw/zinc/94/77/45/369947745.db2.gz PHMALYZIWBGUTJ-JTQLQIEISA-N 1 2 246.314 1.558 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)n(C)n1 ZINC000074685675 370003961 /nfs/dbraw/zinc/00/39/61/370003961.db2.gz JAOYKRUWGFYRLZ-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CC1(C)CC(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000620736579 369984798 /nfs/dbraw/zinc/98/47/98/369984798.db2.gz XGNCFJFFMMDSKK-VIFPVBQESA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000620736579 369984801 /nfs/dbraw/zinc/98/48/01/369984801.db2.gz XGNCFJFFMMDSKK-VIFPVBQESA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)(C(=O)NC1CC(C)(C)C1)c1c[nH]c[nH+]1 ZINC000620739639 369986034 /nfs/dbraw/zinc/98/60/34/369986034.db2.gz QOCCOGNUBLSMML-UHFFFAOYSA-N 1 2 235.331 1.992 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075779889 370172559 /nfs/dbraw/zinc/17/25/59/370172559.db2.gz WVKNSFNXXGHOMG-SFYZADRCSA-N 1 2 213.281 1.142 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000075779889 370172563 /nfs/dbraw/zinc/17/25/63/370172563.db2.gz WVKNSFNXXGHOMG-SFYZADRCSA-N 1 2 213.281 1.142 20 0 BDADLO CC1CC(CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000621245003 370179002 /nfs/dbraw/zinc/17/90/02/370179002.db2.gz KDVJKOLSHZSPQM-UHFFFAOYSA-N 1 2 236.319 1.228 20 0 BDADLO CCc1cnc(C[N@@H+]2CCCOCC2)o1 ZINC000075675095 370163280 /nfs/dbraw/zinc/16/32/80/370163280.db2.gz ORHMGHWOPRUFRJ-UHFFFAOYSA-N 1 2 210.277 1.459 20 0 BDADLO CCc1cnc(C[N@H+]2CCCOCC2)o1 ZINC000075675095 370163283 /nfs/dbraw/zinc/16/32/83/370163283.db2.gz ORHMGHWOPRUFRJ-UHFFFAOYSA-N 1 2 210.277 1.459 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000621217942 370165552 /nfs/dbraw/zinc/16/55/52/370165552.db2.gz NPZCHBLQLKSUGR-IQLKVPPVSA-N 1 2 245.326 1.456 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000621218125 370165582 /nfs/dbraw/zinc/16/55/82/370165582.db2.gz VNBWNWVSYZIFOJ-XIRUVYRFSA-N 1 2 245.326 1.526 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000621218125 370165587 /nfs/dbraw/zinc/16/55/87/370165587.db2.gz VNBWNWVSYZIFOJ-XIRUVYRFSA-N 1 2 245.326 1.526 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621297684 370224870 /nfs/dbraw/zinc/22/48/70/370224870.db2.gz WWGRVKXKCUAXJO-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621297684 370224873 /nfs/dbraw/zinc/22/48/73/370224873.db2.gz WWGRVKXKCUAXJO-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO CCCCN(CC(N)=O)c1cc[nH+]c(C2CC2)n1 ZINC000270115491 168791881 /nfs/dbraw/zinc/79/18/81/168791881.db2.gz FKBVIKGEPIOVMO-UHFFFAOYSA-N 1 2 248.330 1.446 20 0 BDADLO CCc1cc(NCc2nccc(C)n2)nc[nH+]1 ZINC000621328811 370260906 /nfs/dbraw/zinc/26/09/06/370260906.db2.gz DZJSEKSIZALRIF-UHFFFAOYSA-N 1 2 229.287 1.171 20 0 BDADLO C[C@@H]1CSC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000309827274 370265665 /nfs/dbraw/zinc/26/56/65/370265665.db2.gz XPFMBFIZOLIEGV-VXNVDRBHSA-N 1 2 239.344 1.788 20 0 BDADLO Cc1nccnc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000621344552 370277783 /nfs/dbraw/zinc/27/77/83/370277783.db2.gz LCAOTFGGBOYSBP-NSHDSACASA-N 1 2 247.298 1.591 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568234445 326330938 /nfs/dbraw/zinc/33/09/38/326330938.db2.gz PIEAVZSOYHUWMU-AEJSXWLSSA-N 1 2 239.319 1.648 20 0 BDADLO Cc1nccnc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000621361777 370296333 /nfs/dbraw/zinc/29/63/33/370296333.db2.gz HYBSKVWDNBFXAH-SECBINFHSA-N 1 2 231.303 1.369 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)[nH]1 ZINC000158606377 326331895 /nfs/dbraw/zinc/33/18/95/326331895.db2.gz HBBYAJQOBUMALE-DTWKUNHWSA-N 1 2 240.376 1.693 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](C)[C@@H]2C)[nH]1 ZINC000158606377 326331897 /nfs/dbraw/zinc/33/18/97/326331897.db2.gz HBBYAJQOBUMALE-DTWKUNHWSA-N 1 2 240.376 1.693 20 0 BDADLO NC(=O)CC[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000112617066 370334338 /nfs/dbraw/zinc/33/43/38/370334338.db2.gz DGFNHCIYJNCIFK-MRVPVSSYSA-N 1 2 220.263 1.229 20 0 BDADLO NC(=O)CC[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112617066 370334344 /nfs/dbraw/zinc/33/43/44/370334344.db2.gz DGFNHCIYJNCIFK-MRVPVSSYSA-N 1 2 220.263 1.229 20 0 BDADLO C[C@@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000077210314 370400021 /nfs/dbraw/zinc/40/00/21/370400021.db2.gz KDHMGUXFPBFVDP-LLVKDONJSA-N 1 2 243.314 1.899 20 0 BDADLO Cc1[nH+]c2ccccc2n1CCCNC(N)=O ZINC000077627470 370446299 /nfs/dbraw/zinc/44/62/99/370446299.db2.gz QNUIQWPPZVUPHZ-UHFFFAOYSA-N 1 2 232.287 1.403 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccc(O)cc1 ZINC000094687823 370447124 /nfs/dbraw/zinc/44/71/24/370447124.db2.gz SHNCHNYTDJSZRE-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(O)cc1 ZINC000094687823 370447127 /nfs/dbraw/zinc/44/71/27/370447127.db2.gz SHNCHNYTDJSZRE-UHFFFAOYSA-N 1 2 237.299 1.777 20 0 BDADLO CCc1noc(C[N@H+](C)CCCOC)n1 ZINC000066378702 370574448 /nfs/dbraw/zinc/57/44/48/370574448.db2.gz OZXDDPSJJHVNHY-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCc1noc(C[N@@H+](C)CCCOC)n1 ZINC000066378702 370574451 /nfs/dbraw/zinc/57/44/51/370574451.db2.gz OZXDDPSJJHVNHY-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCN(C)CC(F)F ZINC000623831105 371117300 /nfs/dbraw/zinc/11/73/00/371117300.db2.gz STRIJHHZEOZDIO-UHFFFAOYSA-N 1 2 232.278 1.005 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)[C@H]1CCCCO1 ZINC000623961599 371198753 /nfs/dbraw/zinc/19/87/53/371198753.db2.gz IZWAFUCQNOBPMJ-DTWKUNHWSA-N 1 2 223.263 1.161 20 0 BDADLO CCc1cc(CN[C@H](C)c2[nH]cc[nH+]2)on1 ZINC000390571717 371216922 /nfs/dbraw/zinc/21/69/22/371216922.db2.gz VELFIZZEGFPZCM-MRVPVSSYSA-N 1 2 220.276 1.811 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2ncc[nH]2)on1 ZINC000390571717 371216927 /nfs/dbraw/zinc/21/69/27/371216927.db2.gz VELFIZZEGFPZCM-MRVPVSSYSA-N 1 2 220.276 1.811 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccco1 ZINC000624018463 371253189 /nfs/dbraw/zinc/25/31/89/371253189.db2.gz RWXHHDINXPYVJD-UWVGGRQHSA-N 1 2 235.287 1.397 20 0 BDADLO CCOCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631066743 371268922 /nfs/dbraw/zinc/26/89/22/371268922.db2.gz NAQNVDYKLDJISD-UHFFFAOYSA-N 1 2 246.314 1.706 20 0 BDADLO C/C=C\CNC(=O)NCc1c[nH+]ccc1OC ZINC000624107603 371312299 /nfs/dbraw/zinc/31/22/99/371312299.db2.gz PSUOBFDYSBFYGN-ARJAWSKDSA-N 1 2 235.287 1.466 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](n2cncn2)C1 ZINC000624117946 371317710 /nfs/dbraw/zinc/31/77/10/371317710.db2.gz ZNNBMXNWHANJMS-SNVBAGLBSA-N 1 2 245.286 1.133 20 0 BDADLO COc1ccc[nH+]c1NCCCc1ncn(C)n1 ZINC000624329337 371484105 /nfs/dbraw/zinc/48/41/05/371484105.db2.gz UDAIHRXFEPDGIQ-UHFFFAOYSA-N 1 2 247.302 1.263 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CCCNC1=O ZINC000624273623 371454337 /nfs/dbraw/zinc/45/43/37/371454337.db2.gz BBXPKSOEDCFJES-SECBINFHSA-N 1 2 235.287 1.028 20 0 BDADLO O=C([C@H]1CC12CCCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627369635 371587303 /nfs/dbraw/zinc/58/73/03/371587303.db2.gz YUJOXLDBKXKPGD-SNVBAGLBSA-N 1 2 245.326 1.875 20 0 BDADLO O=C([C@H]1CC12CCCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627369635 371587306 /nfs/dbraw/zinc/58/73/06/371587306.db2.gz YUJOXLDBKXKPGD-SNVBAGLBSA-N 1 2 245.326 1.875 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000627373038 371592692 /nfs/dbraw/zinc/59/26/92/371592692.db2.gz DPUKQRBQZQMDGG-VIFPVBQESA-N 1 2 233.315 1.731 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000627373038 371592700 /nfs/dbraw/zinc/59/27/00/371592700.db2.gz DPUKQRBQZQMDGG-VIFPVBQESA-N 1 2 233.315 1.731 20 0 BDADLO CCO[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000627393859 371600051 /nfs/dbraw/zinc/60/00/51/371600051.db2.gz NMWNKYIJQCFDOC-GFCCVEGCSA-N 1 2 249.314 1.040 20 0 BDADLO CC(C)n1ncnc1CNc1ccc(CO)c[nH+]1 ZINC000631142308 372208017 /nfs/dbraw/zinc/20/80/17/372208017.db2.gz LAXFLWVGWUYDBR-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO Cc1nc(N2CC[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631179651 372219629 /nfs/dbraw/zinc/21/96/29/372219629.db2.gz XBACLSXOLJWLQG-IUCAKERBSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000631179651 372219631 /nfs/dbraw/zinc/21/96/31/372219631.db2.gz XBACLSXOLJWLQG-IUCAKERBSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N2CC[C@@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631179649 372219741 /nfs/dbraw/zinc/21/97/41/372219741.db2.gz XBACLSXOLJWLQG-BDAKNGLRSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000631179649 372219745 /nfs/dbraw/zinc/21/97/45/372219745.db2.gz XBACLSXOLJWLQG-BDAKNGLRSA-N 1 2 235.335 1.465 20 0 BDADLO C[C@@H]1C[C@@H](Nc2c[nH+]cc(N(C)C)c2)CO1 ZINC000631202978 372233961 /nfs/dbraw/zinc/23/39/61/372233961.db2.gz GLDCWNFFGCHRRP-MWLCHTKSSA-N 1 2 221.304 1.737 20 0 BDADLO CCCCc1cc(NCC2(O)CCC2)nc[nH+]1 ZINC000631110785 372202847 /nfs/dbraw/zinc/20/28/47/372202847.db2.gz KKGRSQANKDCMPA-UHFFFAOYSA-N 1 2 235.331 1.568 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccncc1 ZINC000631238910 372255247 /nfs/dbraw/zinc/25/52/47/372255247.db2.gz MKKYSOUKRYYQPV-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)[C@@H](O)C(F)(F)F ZINC000631236782 372255658 /nfs/dbraw/zinc/25/56/58/372255658.db2.gz QEPOZKJRAJDFCW-CAHLUQPWSA-N 1 2 224.182 1.076 20 0 BDADLO Cc1cc(NC(=O)C2CSC2)cc[nH+]1 ZINC000631255725 372264308 /nfs/dbraw/zinc/26/43/08/372264308.db2.gz ZXECTPBTNDRFDF-UHFFFAOYSA-N 1 2 208.286 1.113 20 0 BDADLO CCCCc1cc(NCc2ccncn2)nc[nH+]1 ZINC000631276336 372272407 /nfs/dbraw/zinc/27/24/07/372272407.db2.gz OUAWQTNWYWTJBZ-UHFFFAOYSA-N 1 2 243.314 1.643 20 0 BDADLO c1c[nH]c(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000631302023 372283438 /nfs/dbraw/zinc/28/34/38/372283438.db2.gz TXZFYIPWGBKLEF-SECBINFHSA-N 1 2 217.276 1.231 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@H]2C2CC2)nc(N)[nH+]1 ZINC000631300040 372284625 /nfs/dbraw/zinc/28/46/25/372284625.db2.gz ZNZJFRVPASKYMD-MNOVXSKESA-N 1 2 247.346 1.253 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCC[C@H]2C2CC2)[nH+]1 ZINC000631300040 372284630 /nfs/dbraw/zinc/28/46/30/372284630.db2.gz ZNZJFRVPASKYMD-MNOVXSKESA-N 1 2 247.346 1.253 20 0 BDADLO Cc1nc(N(C)Cc2ccns2)cc[nH+]1 ZINC000631354194 372309312 /nfs/dbraw/zinc/30/93/12/372309312.db2.gz YYCDOZCJVVAQJA-UHFFFAOYSA-N 1 2 220.301 1.878 20 0 BDADLO CCCCc1cc(NC/C=C/CO)nc[nH+]1 ZINC000631355119 372311597 /nfs/dbraw/zinc/31/15/97/372311597.db2.gz CEEZGCSNQGIFLV-SNAWJCMRSA-N 1 2 221.304 1.202 20 0 BDADLO Cc1nc(NCCCC2CCC2)nc(N)[nH+]1 ZINC000631370620 372314864 /nfs/dbraw/zinc/31/48/64/372314864.db2.gz QQXAXXYGXUZHLQ-UHFFFAOYSA-N 1 2 221.308 1.007 20 0 BDADLO Cc1nc(N)nc(NCCCC2CCC2)[nH+]1 ZINC000631370620 372314868 /nfs/dbraw/zinc/31/48/68/372314868.db2.gz QQXAXXYGXUZHLQ-UHFFFAOYSA-N 1 2 221.308 1.007 20 0 BDADLO CCc1cc(NCC(C)(C)n2cccn2)nc[nH+]1 ZINC000631369777 372319015 /nfs/dbraw/zinc/31/90/15/372319015.db2.gz RGAQMWZMIBHUQO-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO Cc1nc(NCC[C@H]2CC=CCC2)nc(N)[nH+]1 ZINC000631389386 372331265 /nfs/dbraw/zinc/33/12/65/372331265.db2.gz RJGKKSFJGNYGAT-JTQLQIEISA-N 1 2 233.319 1.173 20 0 BDADLO Cc1nc(N)nc(NCC[C@H]2CC=CCC2)[nH+]1 ZINC000631389386 372331273 /nfs/dbraw/zinc/33/12/73/372331273.db2.gz RJGKKSFJGNYGAT-JTQLQIEISA-N 1 2 233.319 1.173 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCCCN(C)C2=O)nc[nH+]1 ZINC000631478608 372386135 /nfs/dbraw/zinc/38/61/35/372386135.db2.gz KMSMAQSDJGTJKY-LLVKDONJSA-N 1 2 248.330 1.232 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000631594590 372446926 /nfs/dbraw/zinc/44/69/26/372446926.db2.gz MPHHTBOKRRWVFN-SZEHBUNVSA-N 1 2 237.303 1.148 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCS[C@H](C)C2)o1 ZINC000171688487 372734335 /nfs/dbraw/zinc/73/43/35/372734335.db2.gz KEEXKTNTPULOND-HTQZYQBOSA-N 1 2 227.333 1.876 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCS[C@H](C)C2)o1 ZINC000171688487 372734344 /nfs/dbraw/zinc/73/43/44/372734344.db2.gz KEEXKTNTPULOND-HTQZYQBOSA-N 1 2 227.333 1.876 20 0 BDADLO CCCCCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143568 372781128 /nfs/dbraw/zinc/78/11/28/372781128.db2.gz YAQZUSMZQAITRN-UHFFFAOYSA-N 1 2 231.321 1.019 20 0 BDADLO COCCOC1CC[NH+](CC(F)F)CC1 ZINC000172020119 372856971 /nfs/dbraw/zinc/85/69/71/372856971.db2.gz MYIOOGIZAWOZHA-UHFFFAOYSA-N 1 2 223.263 1.379 20 0 BDADLO CC(C)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000632417989 372928365 /nfs/dbraw/zinc/92/83/65/372928365.db2.gz SZAGQPPDNJRFCX-IUCAKERBSA-N 1 2 222.292 1.597 20 0 BDADLO O=C(Cc1ccoc1)N1CCn2c[nH+]cc2C1 ZINC000336285614 182054921 /nfs/dbraw/zinc/05/49/21/182054921.db2.gz OLSVQWPPSVQLEK-UHFFFAOYSA-N 1 2 231.255 1.061 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCCC1 ZINC000041292102 182059094 /nfs/dbraw/zinc/05/90/94/182059094.db2.gz RBSOAJRISZARGP-UHFFFAOYSA-N 1 2 229.283 1.499 20 0 BDADLO COCCCOC1CC[NH+](CC(F)F)CC1 ZINC000172839855 373089440 /nfs/dbraw/zinc/08/94/40/373089440.db2.gz FQMQBXJGPBZIRF-UHFFFAOYSA-N 1 2 237.290 1.769 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CCCCC1 ZINC000073172184 182071230 /nfs/dbraw/zinc/07/12/30/182071230.db2.gz XJVWGYBBGXSADQ-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1(F)CCC1 ZINC000360598198 182071365 /nfs/dbraw/zinc/07/13/65/182071365.db2.gz NRKNAABZGBUJKZ-UHFFFAOYSA-N 1 2 225.267 1.282 20 0 BDADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(O)CCC1 ZINC000273259892 182080404 /nfs/dbraw/zinc/08/04/04/182080404.db2.gz SVEWTKKWYYKZTA-UHFFFAOYSA-N 1 2 249.314 1.031 20 0 BDADLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)F ZINC000371172955 182079479 /nfs/dbraw/zinc/07/94/79/182079479.db2.gz DAFWLFZYJCPCFU-UHFFFAOYSA-N 1 2 247.220 1.678 20 0 BDADLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)F ZINC000371172955 182079482 /nfs/dbraw/zinc/07/94/82/182079482.db2.gz DAFWLFZYJCPCFU-UHFFFAOYSA-N 1 2 247.220 1.678 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1CCCC1 ZINC000632926617 373223363 /nfs/dbraw/zinc/22/33/63/373223363.db2.gz UTEWTXZOVAFMKL-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632879601 373205635 /nfs/dbraw/zinc/20/56/35/373205635.db2.gz GNFRJZUKNUNBOZ-BDAKNGLRSA-N 1 2 222.292 1.207 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1C[C@H]1C ZINC000449625966 205493132 /nfs/dbraw/zinc/49/31/32/205493132.db2.gz CQBCMCIKIBFDBK-HRDYMLBCSA-N 1 2 207.264 1.590 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1C[C@H]1C ZINC000449625966 205493138 /nfs/dbraw/zinc/49/31/38/205493138.db2.gz CQBCMCIKIBFDBK-HRDYMLBCSA-N 1 2 207.264 1.590 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H](C)O[C@@H]1C)c1[nH]cc[nH+]1 ZINC000633169889 373318749 /nfs/dbraw/zinc/31/87/49/373318749.db2.gz GAKFQAKJJFGJRE-KYXWUPHJSA-N 1 2 237.303 1.400 20 0 BDADLO Cc1oc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1CO ZINC000633170281 373319574 /nfs/dbraw/zinc/31/95/74/373319574.db2.gz KYXAGEBSDRZKOF-SSDOTTSWSA-N 1 2 249.270 1.294 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC12CCCC2 ZINC000633188599 373333012 /nfs/dbraw/zinc/33/30/12/373333012.db2.gz PNKXBTLKMUGISK-JTQLQIEISA-N 1 2 248.330 1.884 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]1C(F)F ZINC000633240375 373396286 /nfs/dbraw/zinc/39/62/86/373396286.db2.gz LLJRREFUDZWQID-SECBINFHSA-N 1 2 243.257 1.219 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1ccon1 ZINC000633290385 373453010 /nfs/dbraw/zinc/45/30/10/373453010.db2.gz SQVHGBGADGVRED-SECBINFHSA-N 1 2 248.286 1.311 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C2CSC2)c2[nH+]ccn21 ZINC000633333822 373479793 /nfs/dbraw/zinc/47/97/93/373479793.db2.gz MBETWWBOMFAFPE-APPZFPTMSA-N 1 2 237.328 1.368 20 0 BDADLO O=C(NCCC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119047504 182155215 /nfs/dbraw/zinc/15/52/15/182155215.db2.gz BGWCLXPJJYOZBS-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO O=C(NCCCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC000360803954 182164042 /nfs/dbraw/zinc/16/40/42/182164042.db2.gz SQBHQNMRFUGOEQ-JTQLQIEISA-N 1 2 239.294 1.311 20 0 BDADLO CC(C)(F)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000633718946 373704205 /nfs/dbraw/zinc/70/42/05/373704205.db2.gz BGGUYFZBQVCBFT-VIFPVBQESA-N 1 2 239.294 1.310 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C1CC1 ZINC000115160486 182168784 /nfs/dbraw/zinc/16/87/84/182168784.db2.gz PAZIRLLIVBWFAO-UHFFFAOYSA-N 1 2 219.288 1.410 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1C[C@H]1C1CC1 ZINC000362320921 182178158 /nfs/dbraw/zinc/17/81/58/182178158.db2.gz RGUOJOFWWACMEZ-RYUDHWBXSA-N 1 2 248.330 1.371 20 0 BDADLO CCC[C@H](CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000633829637 373781716 /nfs/dbraw/zinc/78/17/16/373781716.db2.gz FWCDQERIQKNYHJ-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@H](CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000633829637 373781720 /nfs/dbraw/zinc/78/17/20/373781720.db2.gz FWCDQERIQKNYHJ-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1CC1 ZINC000135044316 182188705 /nfs/dbraw/zinc/18/87/05/182188705.db2.gz ZUPIWZMOKHSYPI-UHFFFAOYSA-N 1 2 205.261 1.020 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c[nH+]1 ZINC000634025970 373911091 /nfs/dbraw/zinc/91/10/91/373911091.db2.gz ZWWIHEYTJWJAFE-ACLDMZEESA-N 1 2 223.276 1.014 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H](C2CC2)C1 ZINC000367149564 182214758 /nfs/dbraw/zinc/21/47/58/182214758.db2.gz WCXAWCZGHBRNFY-GFCCVEGCSA-N 1 2 248.330 1.325 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1=CCCCCC1 ZINC000185521731 182215349 /nfs/dbraw/zinc/21/53/49/182215349.db2.gz AGLULQXWUYDTNY-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC(F)(F)C1 ZINC000302196246 182212033 /nfs/dbraw/zinc/21/20/33/182212033.db2.gz IBIVZNYNYJTEII-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1sccc1F ZINC000309291089 182212320 /nfs/dbraw/zinc/21/23/20/182212320.db2.gz VTGOEVKOERZTHR-UHFFFAOYSA-N 1 2 239.275 1.583 20 0 BDADLO CCC[NH2+][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000189865514 205881747 /nfs/dbraw/zinc/88/17/47/205881747.db2.gz DQDFMZYAHVWGNJ-GWCFXTLKSA-N 1 2 243.347 1.733 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000332102548 182253053 /nfs/dbraw/zinc/25/30/53/182253053.db2.gz QPEIPQZFQAMDEQ-SNVBAGLBSA-N 1 2 244.298 1.090 20 0 BDADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000048926954 182257005 /nfs/dbraw/zinc/25/70/05/182257005.db2.gz AFZNACGTRZJLKQ-UHFFFAOYSA-N 1 2 241.294 1.899 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1conc1C1CC1 ZINC000280895325 182273360 /nfs/dbraw/zinc/27/33/60/182273360.db2.gz ZYQCMFNVOJATII-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459319625 206008923 /nfs/dbraw/zinc/00/89/23/206008923.db2.gz DCEASMMGYOLRSG-UHFFFAOYSA-N 1 2 247.342 1.965 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459319625 206008927 /nfs/dbraw/zinc/00/89/27/206008927.db2.gz DCEASMMGYOLRSG-UHFFFAOYSA-N 1 2 247.342 1.965 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)c1ccoc1 ZINC000028834492 182269108 /nfs/dbraw/zinc/26/91/08/182269108.db2.gz VWLWJXPJGWBRSQ-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2c(c1)CCO2 ZINC000634556713 374313556 /nfs/dbraw/zinc/31/35/56/374313556.db2.gz CAAXLBOJEDYELQ-UHFFFAOYSA-N 1 2 230.267 1.934 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C(=O)c1ccc(F)cc1 ZINC000339197023 182272523 /nfs/dbraw/zinc/27/25/23/182272523.db2.gz WYHARWOMJATIMM-UHFFFAOYSA-N 1 2 247.229 1.048 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000437049452 206067837 /nfs/dbraw/zinc/06/78/37/206067837.db2.gz YHQHWEDUIZHRTL-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000194489224 206092071 /nfs/dbraw/zinc/09/20/71/206092071.db2.gz RWAPPRBGOXTPJC-SKDRFNHKSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(N[C@H]1CC[N@H+](Cc2ccon2)C1)C1CCC1 ZINC000363418598 182333973 /nfs/dbraw/zinc/33/39/73/182333973.db2.gz POWSZWZVLYVLJI-NSHDSACASA-N 1 2 249.314 1.165 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](Cc2ccon2)C1)C1CCC1 ZINC000363418598 182333976 /nfs/dbraw/zinc/33/39/76/182333976.db2.gz POWSZWZVLYVLJI-NSHDSACASA-N 1 2 249.314 1.165 20 0 BDADLO COCCOC1C[NH+](Cc2cccc(O)c2)C1 ZINC000459461183 206127314 /nfs/dbraw/zinc/12/73/14/206127314.db2.gz JVSPMSBOWFYHHB-UHFFFAOYSA-N 1 2 237.299 1.239 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc[nH]1 ZINC000336354940 182341858 /nfs/dbraw/zinc/34/18/58/182341858.db2.gz QDOJDRWENPEEHM-QMMMGPOBSA-N 1 2 230.271 1.025 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc[nH]1 ZINC000336354940 182341860 /nfs/dbraw/zinc/34/18/60/182341860.db2.gz QDOJDRWENPEEHM-QMMMGPOBSA-N 1 2 230.271 1.025 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000169798152 182343058 /nfs/dbraw/zinc/34/30/58/182343058.db2.gz GJMWMEKALIYLID-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO COC(=O)C(C)(C)CC[NH2+]CC(F)F ZINC000459541657 206132653 /nfs/dbraw/zinc/13/26/53/206132653.db2.gz GYCHGWUOAIGYKW-UHFFFAOYSA-N 1 2 209.236 1.430 20 0 BDADLO O=C(Nc1cccc2c[nH]nc21)[C@@H]1CSC[NH2+]1 ZINC000037044411 182374001 /nfs/dbraw/zinc/37/40/01/182374001.db2.gz PDEDXAYLVRPHBX-VIFPVBQESA-N 1 2 248.311 1.164 20 0 BDADLO O=C(Nc1ccccn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363990131 182381555 /nfs/dbraw/zinc/38/15/55/182381555.db2.gz FZIKJLCQQVWGQO-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO O=C(Nc1cccnc1)N1CCn2cc[nH+]c2C1 ZINC000335149550 182382884 /nfs/dbraw/zinc/38/28/84/182382884.db2.gz LGLACYDOIGIHLO-UHFFFAOYSA-N 1 2 243.270 1.326 20 0 BDADLO CCOC(=O)CC[N@@H+]1CCC=C(F)C1 ZINC000272455944 170205205 /nfs/dbraw/zinc/20/52/05/170205205.db2.gz JZJHLFBEYDSNSS-UHFFFAOYSA-N 1 2 201.241 1.499 20 0 BDADLO CCOC(=O)CC[N@H+]1CCC=C(F)C1 ZINC000272455944 170205206 /nfs/dbraw/zinc/20/52/06/170205206.db2.gz JZJHLFBEYDSNSS-UHFFFAOYSA-N 1 2 201.241 1.499 20 0 BDADLO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000112344191 183001162 /nfs/dbraw/zinc/00/11/62/183001162.db2.gz OWGQGJDMQHEBBJ-LLVKDONJSA-N 1 2 244.298 1.265 20 0 BDADLO OCCCC[N@H+](Cc1csnn1)C1CC1 ZINC000125697928 183048723 /nfs/dbraw/zinc/04/87/23/183048723.db2.gz OHKSCBXYRXVJHV-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OCCCC[N@@H+](Cc1csnn1)C1CC1 ZINC000125697928 183048727 /nfs/dbraw/zinc/04/87/27/183048727.db2.gz OHKSCBXYRXVJHV-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1cccs1 ZINC000183884518 183035888 /nfs/dbraw/zinc/03/58/88/183035888.db2.gz IGBOOEFQIWEMOZ-UHFFFAOYSA-N 1 2 207.245 1.465 20 0 BDADLO OCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270277606 183060226 /nfs/dbraw/zinc/06/02/26/183060226.db2.gz ILZKKPRTSOCBLC-UHFFFAOYSA-N 1 2 222.292 1.093 20 0 BDADLO OCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270277606 183060229 /nfs/dbraw/zinc/06/02/29/183060229.db2.gz ILZKKPRTSOCBLC-UHFFFAOYSA-N 1 2 222.292 1.093 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@H]1CCC(F)(F)C1 ZINC000301012852 183064106 /nfs/dbraw/zinc/06/41/06/183064106.db2.gz XZWMNLYTNAJGQJ-QMMMGPOBSA-N 1 2 243.244 1.981 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@H]1CCC(F)(F)C1 ZINC000301012852 183064110 /nfs/dbraw/zinc/06/41/10/183064110.db2.gz XZWMNLYTNAJGQJ-QMMMGPOBSA-N 1 2 243.244 1.981 20 0 BDADLO OCC[N@H+](C/C=C/Cl)Cc1cccnc1 ZINC000268645597 183064686 /nfs/dbraw/zinc/06/46/86/183064686.db2.gz FNJSVWFSGIDISN-DUXPYHPUSA-N 1 2 226.707 1.628 20 0 BDADLO OCC[N@@H+](C/C=C/Cl)Cc1cccnc1 ZINC000268645597 183064689 /nfs/dbraw/zinc/06/46/89/183064689.db2.gz FNJSVWFSGIDISN-DUXPYHPUSA-N 1 2 226.707 1.628 20 0 BDADLO OCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000058012098 183076275 /nfs/dbraw/zinc/07/62/75/183076275.db2.gz FXBWBIXOHYXAGX-UHFFFAOYSA-N 1 2 242.116 1.757 20 0 BDADLO OCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000058012098 183076276 /nfs/dbraw/zinc/07/62/76/183076276.db2.gz FXBWBIXOHYXAGX-UHFFFAOYSA-N 1 2 242.116 1.757 20 0 BDADLO OCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187703316 183079544 /nfs/dbraw/zinc/07/95/44/183079544.db2.gz ULVSYYABMDKNIR-NSHDSACASA-N 1 2 235.262 1.220 20 0 BDADLO OCC[C@@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000336724896 183093525 /nfs/dbraw/zinc/09/35/25/183093525.db2.gz ZMCCFHYMZNREJJ-VIFPVBQESA-N 1 2 245.273 1.625 20 0 BDADLO OCC[C@@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000336724896 183093528 /nfs/dbraw/zinc/09/35/28/183093528.db2.gz ZMCCFHYMZNREJJ-VIFPVBQESA-N 1 2 245.273 1.625 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000047496382 183116069 /nfs/dbraw/zinc/11/60/69/183116069.db2.gz SACXHTASWJYXJO-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000047496382 183116072 /nfs/dbraw/zinc/11/60/72/183116072.db2.gz SACXHTASWJYXJO-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000048743355 183116948 /nfs/dbraw/zinc/11/69/48/183116948.db2.gz QSFPQJZYYHZTAQ-VIFPVBQESA-N 1 2 245.273 1.625 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000048743355 183116949 /nfs/dbraw/zinc/11/69/49/183116949.db2.gz QSFPQJZYYHZTAQ-VIFPVBQESA-N 1 2 245.273 1.625 20 0 BDADLO OC[C@@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000294136950 183120643 /nfs/dbraw/zinc/12/06/43/183120643.db2.gz QGHQHTTYPGVTAO-LLVKDONJSA-N 1 2 206.289 1.680 20 0 BDADLO OC[C@@H](CC1CCC1)[NH2+]Cc1ccn[nH]1 ZINC000279887952 183104759 /nfs/dbraw/zinc/10/47/59/183104759.db2.gz VCNIRNFEMUFOPW-LLVKDONJSA-N 1 2 209.293 1.050 20 0 BDADLO OC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccccc1 ZINC000294261735 183109437 /nfs/dbraw/zinc/10/94/37/183109437.db2.gz XIVOWVQNVWCMKB-QWHCGFSZSA-N 1 2 243.310 1.651 20 0 BDADLO OC[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000183933490 183109819 /nfs/dbraw/zinc/10/98/19/183109819.db2.gz WLFLVAOHZZWDSO-GFCCVEGCSA-N 1 2 218.256 1.498 20 0 BDADLO OC[C@H]([NH2+]Cc1ccno1)c1ccc(F)cc1 ZINC000273106811 183141270 /nfs/dbraw/zinc/14/12/70/183141270.db2.gz NDCYGBCXRNELSX-LBPRGKRZSA-N 1 2 236.246 1.637 20 0 BDADLO OC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccccc1 ZINC000294261730 183141677 /nfs/dbraw/zinc/14/16/77/183141677.db2.gz XIVOWVQNVWCMKB-OLZOCXBDSA-N 1 2 243.310 1.651 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000015019596 183125636 /nfs/dbraw/zinc/12/56/36/183125636.db2.gz CLKKWAVSCFMWRY-LBPRGKRZSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000015019596 183125638 /nfs/dbraw/zinc/12/56/38/183125638.db2.gz CLKKWAVSCFMWRY-LBPRGKRZSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000086831722 183128236 /nfs/dbraw/zinc/12/82/36/183128236.db2.gz FODGATKMWOTABI-NSHDSACASA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000086831722 183128238 /nfs/dbraw/zinc/12/82/38/183128238.db2.gz FODGATKMWOTABI-NSHDSACASA-N 1 2 241.718 1.533 20 0 BDADLO CCCCc1noc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000274125914 169030400 /nfs/dbraw/zinc/03/04/00/169030400.db2.gz VPRZFWNACAOYNI-SECBINFHSA-N 1 2 249.318 1.986 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC[C@H]1CCCO1 ZINC000365292135 183147421 /nfs/dbraw/zinc/14/74/21/183147421.db2.gz JSDIHROXHNYCLV-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC[C@H]1CCCO1 ZINC000365292135 183147423 /nfs/dbraw/zinc/14/74/23/183147423.db2.gz JSDIHROXHNYCLV-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1C1CCCC1 ZINC000366669636 183147644 /nfs/dbraw/zinc/14/76/44/183147644.db2.gz YRWZFIGYNVAGIY-SECBINFHSA-N 1 2 205.248 1.631 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1C1CCCC1 ZINC000366669636 183147646 /nfs/dbraw/zinc/14/76/46/183147646.db2.gz YRWZFIGYNVAGIY-SECBINFHSA-N 1 2 205.248 1.631 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1nccnc1Cl ZINC000095078533 183148956 /nfs/dbraw/zinc/14/89/56/183148956.db2.gz PHSVHPSISIUDAT-SECBINFHSA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1nccnc1Cl ZINC000095078533 183148958 /nfs/dbraw/zinc/14/89/58/183148958.db2.gz PHSVHPSISIUDAT-SECBINFHSA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000047496383 183148967 /nfs/dbraw/zinc/14/89/67/183148967.db2.gz SACXHTASWJYXJO-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000047496383 183148970 /nfs/dbraw/zinc/14/89/70/183148970.db2.gz SACXHTASWJYXJO-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000289516754 183153096 /nfs/dbraw/zinc/15/30/96/183153096.db2.gz FTJULTNXPAONGX-ZETCQYMHSA-N 1 2 232.736 1.611 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000289516754 183153099 /nfs/dbraw/zinc/15/30/99/183153099.db2.gz FTJULTNXPAONGX-ZETCQYMHSA-N 1 2 232.736 1.611 20 0 BDADLO OCc1ccc(NCc2ccccn2)[nH+]c1 ZINC000309559343 183165785 /nfs/dbraw/zinc/16/57/85/183165785.db2.gz IVFIUHINCFUOBV-UHFFFAOYSA-N 1 2 215.256 1.581 20 0 BDADLO OCc1ccc(NCc2ccco2)[nH+]c1 ZINC000308955784 183165994 /nfs/dbraw/zinc/16/59/94/183165994.db2.gz XHJDVLJGCXWQQI-UHFFFAOYSA-N 1 2 204.229 1.779 20 0 BDADLO OCc1ccc(NC[C@H]2CCSC2)[nH+]c1 ZINC000291526819 183166417 /nfs/dbraw/zinc/16/64/17/183166417.db2.gz JTOHEFYORPZMNQ-SNVBAGLBSA-N 1 2 224.329 1.739 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336321726 183194180 /nfs/dbraw/zinc/19/41/80/183194180.db2.gz ZYLAOVWORYWJSS-SNVBAGLBSA-N 1 2 222.288 1.509 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336321726 183194181 /nfs/dbraw/zinc/19/41/81/183194181.db2.gz ZYLAOVWORYWJSS-SNVBAGLBSA-N 1 2 222.288 1.509 20 0 BDADLO O[C@H](CCc1ccccc1)Cn1cc[nH+]c1 ZINC000028648016 183219925 /nfs/dbraw/zinc/21/99/25/183219925.db2.gz QSXQEVGUNYKBCO-CYBMUJFWSA-N 1 2 216.284 1.877 20 0 BDADLO O[C@H](C[NH+]1CC(OC(F)F)C1)C1CCCCC1 ZINC000352882100 183220152 /nfs/dbraw/zinc/22/01/52/183220152.db2.gz GMWBPUGFQGFCPI-LLVKDONJSA-N 1 2 249.301 1.851 20 0 BDADLO O[C@H](C[N@@H+]1CCc2n[nH]cc2C1)CC(F)(F)F ZINC000276266279 183221110 /nfs/dbraw/zinc/22/11/10/183221110.db2.gz RNTQCESXUVNKDU-QMMMGPOBSA-N 1 2 249.236 1.081 20 0 BDADLO O[C@H](C[N@H+]1CCc2n[nH]cc2C1)CC(F)(F)F ZINC000276266279 183221113 /nfs/dbraw/zinc/22/11/13/183221113.db2.gz RNTQCESXUVNKDU-QMMMGPOBSA-N 1 2 249.236 1.081 20 0 BDADLO CCCN(CC(=O)NC)c1cc[nH+]c(C2CC2)n1 ZINC000267095276 169095971 /nfs/dbraw/zinc/09/59/71/169095971.db2.gz VOVKSDCVXFTWCN-UHFFFAOYSA-N 1 2 248.330 1.316 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cc[nH]n2)Cc2ccccc21 ZINC000371877082 183239070 /nfs/dbraw/zinc/23/90/70/183239070.db2.gz RYLWNKLKAXDOOM-AWEZNQCLSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cc[nH]n2)Cc2ccccc21 ZINC000371877082 183239072 /nfs/dbraw/zinc/23/90/72/183239072.db2.gz RYLWNKLKAXDOOM-AWEZNQCLSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1C[NH+](Cc2ccc(Cl)cc2F)C[C@@H]1O ZINC000236592827 183244062 /nfs/dbraw/zinc/24/40/62/183244062.db2.gz KEVDFTWSGAEDRD-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1C[NH+](Cc2cc(Cl)ccc2F)C[C@@H]1O ZINC000236591582 183244143 /nfs/dbraw/zinc/24/41/43/183244143.db2.gz HRQNRVDMZBCBGJ-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1C[N@H+](Cc2nccn2C(F)F)CC12CC2 ZINC000336461584 183244519 /nfs/dbraw/zinc/24/45/19/183244519.db2.gz NUIDCEZYNTVEKF-QMMMGPOBSA-N 1 2 243.257 1.235 20 0 BDADLO O[C@H]1C[N@@H+](Cc2nccn2C(F)F)CC12CC2 ZINC000336461584 183244520 /nfs/dbraw/zinc/24/45/20/183244520.db2.gz NUIDCEZYNTVEKF-QMMMGPOBSA-N 1 2 243.257 1.235 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000295475676 183248410 /nfs/dbraw/zinc/24/84/10/183248410.db2.gz YICIYDBFFUHKMC-AOOOYVTPSA-N 1 2 234.303 1.012 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000295475676 183248412 /nfs/dbraw/zinc/24/84/12/183248412.db2.gz YICIYDBFFUHKMC-AOOOYVTPSA-N 1 2 234.303 1.012 20 0 BDADLO O[C@]1(C2CC2)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000362851771 183250689 /nfs/dbraw/zinc/25/06/89/183250689.db2.gz PQFBHGPPEUFYQL-CQSZACIVSA-N 1 2 245.326 1.705 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cncc(C)c1 ZINC000275988430 169101997 /nfs/dbraw/zinc/10/19/97/169101997.db2.gz LVVJRQUQYPHQJW-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cncc(C)c1 ZINC000275988430 169101999 /nfs/dbraw/zinc/10/19/99/169101999.db2.gz LVVJRQUQYPHQJW-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1cccnc1 ZINC000050051839 169102221 /nfs/dbraw/zinc/10/22/21/169102221.db2.gz RBUHIOCLYSTOST-UHFFFAOYSA-N 1 2 236.315 1.857 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1cccnc1 ZINC000050051839 169102225 /nfs/dbraw/zinc/10/22/25/169102225.db2.gz RBUHIOCLYSTOST-UHFFFAOYSA-N 1 2 236.315 1.857 20 0 BDADLO CCCN(CC(C)(C)O)c1cc[nH+]c(C)n1 ZINC000269636050 169103464 /nfs/dbraw/zinc/10/34/64/169103464.db2.gz QJEGPTAMIRSSLV-UHFFFAOYSA-N 1 2 223.320 1.772 20 0 BDADLO Oc1ccc2c(c1)OCCN(Cc1c[nH+]c[nH]1)C2 ZINC000285541822 183279524 /nfs/dbraw/zinc/27/95/24/183279524.db2.gz PXXJPQIVULTQCE-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO Oc1ccc2c(c1)OCCN(Cc1c[nH]c[nH+]1)C2 ZINC000285541822 183279525 /nfs/dbraw/zinc/27/95/25/183279525.db2.gz PXXJPQIVULTQCE-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO CCC[NH+](CCC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000108852341 169148544 /nfs/dbraw/zinc/14/85/44/169148544.db2.gz CVJUPPOKFQAWBI-UHFFFAOYSA-N 1 2 248.330 1.645 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000366713001 183305776 /nfs/dbraw/zinc/30/57/76/183305776.db2.gz XCPSBDTZGNPDPC-UHFFFAOYSA-N 1 2 222.292 1.100 20 0 BDADLO CCC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000108864731 169173079 /nfs/dbraw/zinc/17/30/79/169173079.db2.gz KGZUZZKFDBMNKM-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO CCC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000108864731 169173081 /nfs/dbraw/zinc/17/30/81/169173081.db2.gz KGZUZZKFDBMNKM-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO CCC[N@H+](CCCC(=O)OC)CC(F)F ZINC000116390241 169153359 /nfs/dbraw/zinc/15/33/59/169153359.db2.gz PEKROMSCFPDEHJ-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CCC[N@@H+](CCCC(=O)OC)CC(F)F ZINC000116390241 169153361 /nfs/dbraw/zinc/15/33/61/169153361.db2.gz PEKROMSCFPDEHJ-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CCCN(CCn1cc[nH+]c1)CC(F)F ZINC000120504602 169171675 /nfs/dbraw/zinc/17/16/75/169171675.db2.gz YDLGYUCGJLHSRF-UHFFFAOYSA-N 1 2 217.263 1.860 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000126119636 169228718 /nfs/dbraw/zinc/22/87/18/169228718.db2.gz SVTAZTBRGRKJPE-SECBINFHSA-N 1 2 241.360 1.628 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)on1 ZINC000265176064 183344739 /nfs/dbraw/zinc/34/47/39/183344739.db2.gz ZIYGJSMSIIJMSW-GHMZBOCLSA-N 1 2 208.261 1.428 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)on1 ZINC000265176064 183344740 /nfs/dbraw/zinc/34/47/40/183344740.db2.gz ZIYGJSMSIIJMSW-GHMZBOCLSA-N 1 2 208.261 1.428 20 0 BDADLO c1cn2c(cccc2CN2CCOCC2)[nH+]1 ZINC000183370019 183344884 /nfs/dbraw/zinc/34/48/84/183344884.db2.gz JNDWDMGSNLFBDP-UHFFFAOYSA-N 1 2 217.272 1.167 20 0 BDADLO c1cc(NC[C@H]2CCCO2)nc(C2CC2)[nH+]1 ZINC000110110813 183357772 /nfs/dbraw/zinc/35/77/72/183357772.db2.gz RPHJSAKLHVLUEB-SNVBAGLBSA-N 1 2 219.288 1.945 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1ccccc1F ZINC000042977948 169219758 /nfs/dbraw/zinc/21/97/58/169219758.db2.gz UHKQZDJTPLQBAK-UHFFFAOYSA-N 1 2 238.306 1.784 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000042977948 169219759 /nfs/dbraw/zinc/21/97/59/169219759.db2.gz UHKQZDJTPLQBAK-UHFFFAOYSA-N 1 2 238.306 1.784 20 0 BDADLO c1cc(N[C@H]2CCO[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000340567917 183335081 /nfs/dbraw/zinc/33/50/81/183335081.db2.gz CUKLQVXOBGLTOT-AAEUAGOBSA-N 1 2 245.326 1.755 20 0 BDADLO CCCNC(=O)NCc1[nH+]ccn1CC ZINC000297353427 169237963 /nfs/dbraw/zinc/23/79/63/169237963.db2.gz DJGBJUWDDSNLHH-UHFFFAOYSA-N 1 2 210.281 1.112 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560725 169245786 /nfs/dbraw/zinc/24/57/86/169245786.db2.gz OBXKAKGAYJNVJL-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560725 169245788 /nfs/dbraw/zinc/24/57/88/169245788.db2.gz OBXKAKGAYJNVJL-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO c1ccc(C[N@H+](C2CC2)C2COC2)nc1 ZINC000296067306 183396897 /nfs/dbraw/zinc/39/68/97/183396897.db2.gz PQIUGXDRUIGLNP-UHFFFAOYSA-N 1 2 204.273 1.445 20 0 BDADLO c1ccc(C[N@@H+](C2CC2)C2COC2)nc1 ZINC000296067306 183396899 /nfs/dbraw/zinc/39/68/99/183396899.db2.gz PQIUGXDRUIGLNP-UHFFFAOYSA-N 1 2 204.273 1.445 20 0 BDADLO CCCOCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353017626 169305218 /nfs/dbraw/zinc/30/52/18/169305218.db2.gz XOTSAEAJSLLIAS-LLVKDONJSA-N 1 2 239.319 1.062 20 0 BDADLO CCCOCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276575810 169306949 /nfs/dbraw/zinc/30/69/49/169306949.db2.gz IYXBCGZMAILORD-LLVKDONJSA-N 1 2 239.319 1.650 20 0 BDADLO CCCSCC(=O)NCc1[nH]c[nH+]c1C ZINC000266972536 169337571 /nfs/dbraw/zinc/33/75/71/169337571.db2.gz MJRPBLKGMSWYQT-UHFFFAOYSA-N 1 2 227.333 1.478 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569772 169368528 /nfs/dbraw/zinc/36/85/28/169368528.db2.gz LHJLDTGOBIVHOT-IJLUTSLNSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569772 169368529 /nfs/dbraw/zinc/36/85/29/169368529.db2.gz LHJLDTGOBIVHOT-IJLUTSLNSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@@H](CCO)CNc1cc[nH+]c(C)n1 ZINC000078673288 169383182 /nfs/dbraw/zinc/38/31/82/169383182.db2.gz ITFNJEIBUYMGIP-NSHDSACASA-N 1 2 223.320 1.996 20 0 BDADLO CCC[C@@H](CNC(=O)CCn1cc[nH+]c1)OC ZINC000295549225 169383420 /nfs/dbraw/zinc/38/34/20/169383420.db2.gz YMSOLLPPFGFGTM-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]1(C)CCCOC1 ZINC000221348236 134320942 /nfs/dbraw/zinc/32/09/42/134320942.db2.gz OFXPBUBBXKZCJM-LLVKDONJSA-N 1 2 209.293 1.377 20 0 BDADLO COCc1nc(C[NH+]2[C@@H](C)CC[C@@H]2C)no1 ZINC000182553148 134346119 /nfs/dbraw/zinc/34/61/19/134346119.db2.gz QPJIJYVKIWVHIK-IUCAKERBSA-N 1 2 225.292 1.589 20 0 BDADLO CCC[C@H](CCO)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000267183040 169497967 /nfs/dbraw/zinc/49/79/67/169497967.db2.gz JAICPYUAGMDGAB-SNVBAGLBSA-N 1 2 239.319 1.247 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)OC ZINC000336720836 169512393 /nfs/dbraw/zinc/51/23/93/169512393.db2.gz DEDLVUAZNJZYOT-BBBLOLIVSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cnoc1C ZINC000517734426 383833001 /nfs/dbraw/zinc/83/30/01/383833001.db2.gz RWQUDBFITMBZPW-GFCCVEGCSA-N 1 2 223.320 1.509 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1cnoc1C ZINC000517734426 383833005 /nfs/dbraw/zinc/83/30/05/383833005.db2.gz RWQUDBFITMBZPW-GFCCVEGCSA-N 1 2 223.320 1.509 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC000119880422 383918626 /nfs/dbraw/zinc/91/86/26/383918626.db2.gz XSSRKXZXCPHDLI-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000119880422 383918628 /nfs/dbraw/zinc/91/86/28/383918628.db2.gz XSSRKXZXCPHDLI-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1F)c1nncn1C ZINC000037017561 383930423 /nfs/dbraw/zinc/93/04/23/383930423.db2.gz QNUSQVHCBUXNON-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000493012514 533019375 /nfs/dbraw/zinc/01/93/75/533019375.db2.gz AMGSTDUZEKPMIJ-KGGZQZJCSA-N 1 2 229.230 1.583 20 0 BDADLO CN(C[C@H]1CCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000112555272 383931479 /nfs/dbraw/zinc/93/14/79/383931479.db2.gz VDSGRNJZTDUDLL-LLVKDONJSA-N 1 2 233.315 1.969 20 0 BDADLO Cc1nc(C2(NCc3[nH]cc[nH+]3)CCCC2)no1 ZINC000067692964 383935559 /nfs/dbraw/zinc/93/55/59/383935559.db2.gz PUTQLCWOFYDISJ-UHFFFAOYSA-N 1 2 247.302 1.660 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C ZINC000493166734 533019899 /nfs/dbraw/zinc/01/98/99/533019899.db2.gz OKPIKGHTPRCFHL-VUHVRTRXSA-N 1 2 221.304 1.974 20 0 BDADLO c1cn(C2CCN(c3cnccn3)CC2)c[nH+]1 ZINC000112078103 383895024 /nfs/dbraw/zinc/89/50/24/383895024.db2.gz HNZCFXOAMOKTKL-UHFFFAOYSA-N 1 2 229.287 1.515 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCOCC1 ZINC000493851640 533021027 /nfs/dbraw/zinc/02/10/27/533021027.db2.gz JPKQDGVOEFVJNR-VMZHVLLKSA-N 1 2 249.314 1.354 20 0 BDADLO CCN(CC)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000573105006 384016289 /nfs/dbraw/zinc/01/62/89/384016289.db2.gz XEELHQNRCJMTFA-VHSXEESVSA-N 1 2 236.319 1.940 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCC1CC1 ZINC000115334111 384017856 /nfs/dbraw/zinc/01/78/56/384017856.db2.gz QTRCLPQMZJVBBR-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H](C(=O)Nc1cccnc1)[NH+]1CC(C)C1 ZINC000518559753 384008367 /nfs/dbraw/zinc/00/83/67/384008367.db2.gz HJOHEZYDMLMOKD-JTQLQIEISA-N 1 2 219.288 1.360 20 0 BDADLO CCN(CC(C)(C)O)c1cc[nH+]c(C2CC2)n1 ZINC000114450464 384035388 /nfs/dbraw/zinc/03/53/88/384035388.db2.gz SMRAKFDEZZWKBS-UHFFFAOYSA-N 1 2 235.331 1.951 20 0 BDADLO Cc1ccccc1CC[N@@H+](C)Cc1nnn(C)n1 ZINC000449379443 384084632 /nfs/dbraw/zinc/08/46/32/384084632.db2.gz IEMABEOVUXBWIV-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1ccccc1CC[N@H+](C)Cc1nnn(C)n1 ZINC000449379443 384084638 /nfs/dbraw/zinc/08/46/38/384084638.db2.gz IEMABEOVUXBWIV-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000076343624 384057084 /nfs/dbraw/zinc/05/70/84/384057084.db2.gz DKRHQQIPBRDCTC-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000076343624 384057090 /nfs/dbraw/zinc/05/70/90/384057090.db2.gz DKRHQQIPBRDCTC-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1ccccn1 ZINC000069794812 384063894 /nfs/dbraw/zinc/06/38/94/384063894.db2.gz VNVQUQZFBGSNBF-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO C[C@@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000078591959 384074812 /nfs/dbraw/zinc/07/48/12/384074812.db2.gz AMWDHNYLBXKFOR-ZCFIWIBFSA-N 1 2 220.194 1.893 20 0 BDADLO CN(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082276048 384093216 /nfs/dbraw/zinc/09/32/16/384093216.db2.gz RFLAEYOFZMTLSM-SNVBAGLBSA-N 1 2 222.292 1.202 20 0 BDADLO O=C(CCC1CCCC1)NCc1[nH]cc[nH+]1 ZINC000070651505 384129630 /nfs/dbraw/zinc/12/96/30/384129630.db2.gz DVKCUAXYGAQXHO-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891371 384151115 /nfs/dbraw/zinc/15/11/15/384151115.db2.gz IXWHXXBYCPMVMP-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891371 384151118 /nfs/dbraw/zinc/15/11/18/384151118.db2.gz IXWHXXBYCPMVMP-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO CN(CC(C)(C)O)c1[nH+]c2ccccc2n1C ZINC000092969821 384201656 /nfs/dbraw/zinc/20/16/56/384201656.db2.gz FVCRKDHZEJUTHQ-UHFFFAOYSA-N 1 2 233.315 1.780 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000559366500 384206305 /nfs/dbraw/zinc/20/63/05/384206305.db2.gz HDPSSCBMFMAHFN-VWYCJHECSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000559366500 384206309 /nfs/dbraw/zinc/20/63/09/384206309.db2.gz HDPSSCBMFMAHFN-VWYCJHECSA-N 1 2 228.336 1.010 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000642698812 384190679 /nfs/dbraw/zinc/19/06/79/384190679.db2.gz SUTGDBCCAJCZKW-LBPRGKRZSA-N 1 2 237.347 1.829 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+]1CCc2cn[nH]c2C1 ZINC000642698812 384190683 /nfs/dbraw/zinc/19/06/83/384190683.db2.gz SUTGDBCCAJCZKW-LBPRGKRZSA-N 1 2 237.347 1.829 20 0 BDADLO O=C([C@@H]1CCCS1)N1CCn2cc[nH+]c2C1 ZINC000336609461 384234097 /nfs/dbraw/zinc/23/40/97/384234097.db2.gz OFMOPLNYVWKBOG-VIFPVBQESA-N 1 2 237.328 1.121 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc3cnccn23)[C@H]1C ZINC000093417866 384237037 /nfs/dbraw/zinc/23/70/37/384237037.db2.gz MMFTVOHPQCEOOQ-WDEREUQCSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc3cnccn23)[C@H]1C ZINC000093417866 384237041 /nfs/dbraw/zinc/23/70/41/384237041.db2.gz MMFTVOHPQCEOOQ-WDEREUQCSA-N 1 2 246.314 1.339 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093084794 384211374 /nfs/dbraw/zinc/21/13/74/384211374.db2.gz OKASDYRLFDLNAG-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1ccoc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093084794 384211378 /nfs/dbraw/zinc/21/13/78/384211378.db2.gz OKASDYRLFDLNAG-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000072980274 384240373 /nfs/dbraw/zinc/24/03/73/384240373.db2.gz AILJLHMUFXAGBM-LLVKDONJSA-N 1 2 222.288 1.335 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000072980274 384240379 /nfs/dbraw/zinc/24/03/79/384240379.db2.gz AILJLHMUFXAGBM-LLVKDONJSA-N 1 2 222.288 1.335 20 0 BDADLO CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000334680636 384221416 /nfs/dbraw/zinc/22/14/16/384221416.db2.gz HGICHFRXNSWNAH-UHFFFAOYSA-N 1 2 207.277 1.518 20 0 BDADLO Cc1ccc([C@@H]2COCCN2Cc2c[nH+]c[nH]2)o1 ZINC000093459831 384242877 /nfs/dbraw/zinc/24/28/77/384242877.db2.gz AUZBFQXVMDPWPS-LBPRGKRZSA-N 1 2 247.298 1.885 20 0 BDADLO Cc1ccc([C@@H]2COCCN2Cc2c[nH]c[nH+]2)o1 ZINC000093459831 384242883 /nfs/dbraw/zinc/24/28/83/384242883.db2.gz AUZBFQXVMDPWPS-LBPRGKRZSA-N 1 2 247.298 1.885 20 0 BDADLO CCC[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000093508687 384245154 /nfs/dbraw/zinc/24/51/54/384245154.db2.gz UKGUBAFBUDDNEA-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000528374466 384255196 /nfs/dbraw/zinc/25/51/96/384255196.db2.gz VNGXMUOVOUFAOJ-MRVPVSSYSA-N 1 2 227.333 1.228 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)C2)s1 ZINC000528374466 384255198 /nfs/dbraw/zinc/25/51/98/384255198.db2.gz VNGXMUOVOUFAOJ-MRVPVSSYSA-N 1 2 227.333 1.228 20 0 BDADLO CC[C@H]1CC[C@@H](C)N1c1nc(C)[nH+]c(N)n1 ZINC000304397228 384267571 /nfs/dbraw/zinc/26/75/71/384267571.db2.gz AFGRYPOFKMVRCZ-APPZFPTMSA-N 1 2 221.308 1.530 20 0 BDADLO CC[C@H]1CC[C@@H](C)N1c1nc(N)nc(C)[nH+]1 ZINC000304397228 384267577 /nfs/dbraw/zinc/26/75/77/384267577.db2.gz AFGRYPOFKMVRCZ-APPZFPTMSA-N 1 2 221.308 1.530 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000093771754 384269263 /nfs/dbraw/zinc/26/92/63/384269263.db2.gz YGULBJWGQGMSCO-ZDUSSCGKSA-N 1 2 248.326 1.493 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000093771754 384269277 /nfs/dbraw/zinc/26/92/77/384269277.db2.gz YGULBJWGQGMSCO-ZDUSSCGKSA-N 1 2 248.326 1.493 20 0 BDADLO Cc1nc(N(C)Cc2ccsc2)nc(N)[nH+]1 ZINC000304442683 384310504 /nfs/dbraw/zinc/31/05/04/384310504.db2.gz IGIGSHPHIPVXFG-UHFFFAOYSA-N 1 2 235.316 1.460 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2ccsc2)[nH+]1 ZINC000304442683 384310510 /nfs/dbraw/zinc/31/05/10/384310510.db2.gz IGIGSHPHIPVXFG-UHFFFAOYSA-N 1 2 235.316 1.460 20 0 BDADLO Cc1nc(NCC2CCSCC2)nc(N)[nH+]1 ZINC000304441270 384311659 /nfs/dbraw/zinc/31/16/59/384311659.db2.gz IBBQSMVWXCQOPV-UHFFFAOYSA-N 1 2 239.348 1.317 20 0 BDADLO Cc1nc(N)nc(NCC2CCSCC2)[nH+]1 ZINC000304441270 384311666 /nfs/dbraw/zinc/31/16/66/384311666.db2.gz IBBQSMVWXCQOPV-UHFFFAOYSA-N 1 2 239.348 1.317 20 0 BDADLO Cc1nc(N2CCC[C@H](C)CC2)nc(N)[nH+]1 ZINC000304409029 384280502 /nfs/dbraw/zinc/28/05/02/384280502.db2.gz BXLOAVLJBPRLTI-QMMMGPOBSA-N 1 2 221.308 1.389 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](C)CC2)[nH+]1 ZINC000304409029 384280506 /nfs/dbraw/zinc/28/05/06/384280506.db2.gz BXLOAVLJBPRLTI-QMMMGPOBSA-N 1 2 221.308 1.389 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000158909201 384287097 /nfs/dbraw/zinc/28/70/97/384287097.db2.gz ADFYUTLIDDCNKF-QMMMGPOBSA-N 1 2 243.253 1.958 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000158909201 384287106 /nfs/dbraw/zinc/28/71/06/384287106.db2.gz ADFYUTLIDDCNKF-QMMMGPOBSA-N 1 2 243.253 1.958 20 0 BDADLO CC[C@@H]1CCCCN1c1nc(C)[nH+]c(N)n1 ZINC000304519310 384345104 /nfs/dbraw/zinc/34/51/04/384345104.db2.gz SAEKVDRBRPXANN-SECBINFHSA-N 1 2 221.308 1.531 20 0 BDADLO CC[C@@H]1CCCCN1c1nc(N)nc(C)[nH+]1 ZINC000304519310 384345107 /nfs/dbraw/zinc/34/51/07/384345107.db2.gz SAEKVDRBRPXANN-SECBINFHSA-N 1 2 221.308 1.531 20 0 BDADLO Cc1cnc(C)c(NCCCn2cc[nH+]c2)n1 ZINC000095081937 384357385 /nfs/dbraw/zinc/35/73/85/384357385.db2.gz MYRBPWYHZJZFHF-UHFFFAOYSA-N 1 2 231.303 1.792 20 0 BDADLO C[C@H](Cc1ccsc1)[NH+]1CC(O)(C(F)F)C1 ZINC000644905624 384370908 /nfs/dbraw/zinc/37/09/08/384370908.db2.gz UDVRHTITLLCVRX-MRVPVSSYSA-N 1 2 247.310 1.991 20 0 BDADLO CCC[C@]1([NH2+]CC(=O)OC(C)(C)C)CCOC1 ZINC000352818297 384325195 /nfs/dbraw/zinc/32/51/95/384325195.db2.gz UILNIVRPOUSIKO-ZDUSSCGKSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000304476563 384325849 /nfs/dbraw/zinc/32/58/49/384325849.db2.gz NZCOYSAPMGHDMB-APPZFPTMSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCCC[C@H]2C)[nH+]1 ZINC000304476563 384325856 /nfs/dbraw/zinc/32/58/56/384325856.db2.gz NZCOYSAPMGHDMB-APPZFPTMSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(NCCC2=CCCC2)nc(N)[nH+]1 ZINC000304497332 384329542 /nfs/dbraw/zinc/32/95/42/384329542.db2.gz PXOBLEOHPDRUGK-UHFFFAOYSA-N 1 2 219.292 1.675 20 0 BDADLO Cc1nc(N)nc(NCCC2=CCCC2)[nH+]1 ZINC000304497332 384329550 /nfs/dbraw/zinc/32/95/50/384329550.db2.gz PXOBLEOHPDRUGK-UHFFFAOYSA-N 1 2 219.292 1.675 20 0 BDADLO CC[C@H]([NH2+]CCc1ccccc1F)C(=O)OC ZINC000134922076 384400228 /nfs/dbraw/zinc/40/02/28/384400228.db2.gz MCKFLVFFCIWHIT-LBPRGKRZSA-N 1 2 239.290 1.909 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H]1CCOC1 ZINC000120845646 384382924 /nfs/dbraw/zinc/38/29/24/384382924.db2.gz DCTFUDWEFGODRV-NSHDSACASA-N 1 2 249.314 1.890 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@@H](O)CC2)n1 ZINC000331552468 384390594 /nfs/dbraw/zinc/39/05/94/384390594.db2.gz BMLQCCFDDVRQIX-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@@H](O)CC2)n1 ZINC000331552468 384390595 /nfs/dbraw/zinc/39/05/95/384390595.db2.gz BMLQCCFDDVRQIX-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccno1 ZINC000367983164 384450047 /nfs/dbraw/zinc/45/00/47/384450047.db2.gz OIQDVIHYKUHKQQ-NSHDSACASA-N 1 2 238.287 1.592 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccno1 ZINC000367983164 384450051 /nfs/dbraw/zinc/45/00/51/384450051.db2.gz OIQDVIHYKUHKQQ-NSHDSACASA-N 1 2 238.287 1.592 20 0 BDADLO COCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000533515721 384451160 /nfs/dbraw/zinc/45/11/60/384451160.db2.gz JBPOVKVRAIQBPS-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc([S@@](C)=O)c1 ZINC000121863256 384442064 /nfs/dbraw/zinc/44/20/64/384442064.db2.gz OKNADTLJQWYBKY-KRWDZBQOSA-N 1 2 249.339 1.770 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CCC12CCC2 ZINC000556772755 384473563 /nfs/dbraw/zinc/47/35/63/384473563.db2.gz MSTLHXZXUYRDID-UHFFFAOYSA-N 1 2 248.330 1.741 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647271099 384477561 /nfs/dbraw/zinc/47/75/61/384477561.db2.gz RTPMWXAWGLWVGP-ZJUUUORDSA-N 1 2 239.294 1.310 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647271098 384478784 /nfs/dbraw/zinc/47/87/84/384478784.db2.gz RTPMWXAWGLWVGP-VHSXEESVSA-N 1 2 239.294 1.310 20 0 BDADLO CO[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000330993922 384498176 /nfs/dbraw/zinc/49/81/76/384498176.db2.gz IBKMXIKLUUCEDP-RKDXNWHRSA-N 1 2 225.292 1.258 20 0 BDADLO COc1ccc(N[C@H]2CO[C@@H](C)C2)[nH+]c1 ZINC000402134905 384505124 /nfs/dbraw/zinc/50/51/24/384505124.db2.gz IIVIJZREDRINRS-DTWKUNHWSA-N 1 2 208.261 1.680 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CC(C)C1 ZINC000561115910 384505135 /nfs/dbraw/zinc/50/51/35/384505135.db2.gz MTAFTEKWQDGHPA-ZETCQYMHSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1nc[nH+]c(N)c1Cl ZINC000235655474 384508009 /nfs/dbraw/zinc/50/80/09/384508009.db2.gz NNLOQCLMQHQRLE-NKWVEPMBSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1[nH+]cnc(N)c1Cl ZINC000235655474 384508011 /nfs/dbraw/zinc/50/80/11/384508011.db2.gz NNLOQCLMQHQRLE-NKWVEPMBSA-N 1 2 226.711 1.947 20 0 BDADLO COCc1ccc(C[N@H+](CC(N)=O)C(C)C)o1 ZINC000161654918 384512131 /nfs/dbraw/zinc/51/21/31/384512131.db2.gz FNLDPIPVPDSJBZ-UHFFFAOYSA-N 1 2 240.303 1.122 20 0 BDADLO COCc1ccc(C[N@@H+](CC(N)=O)C(C)C)o1 ZINC000161654918 384512136 /nfs/dbraw/zinc/51/21/36/384512136.db2.gz FNLDPIPVPDSJBZ-UHFFFAOYSA-N 1 2 240.303 1.122 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC12CC2 ZINC000561127392 384514501 /nfs/dbraw/zinc/51/45/01/384514501.db2.gz BAVGOBIFYMLXQC-JTQLQIEISA-N 1 2 231.299 1.734 20 0 BDADLO CN1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1=O ZINC000150925450 384525571 /nfs/dbraw/zinc/52/55/71/384525571.db2.gz WLRAZZXFGMESOL-GFCCVEGCSA-N 1 2 241.294 1.877 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)OC)[C@@H](C)CC ZINC000183590332 384548238 /nfs/dbraw/zinc/54/82/38/384548238.db2.gz YWMUJMJOMWTLGM-HBNTYKKESA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H](CCCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000153898123 384552709 /nfs/dbraw/zinc/55/27/09/384552709.db2.gz JHTXABOJAFTZMY-VIFPVBQESA-N 1 2 221.304 1.927 20 0 BDADLO Cc1ccsc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000123491124 384563140 /nfs/dbraw/zinc/56/31/40/384563140.db2.gz CGISNHUMQGHTMN-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccsc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000123491124 384563150 /nfs/dbraw/zinc/56/31/50/384563150.db2.gz CGISNHUMQGHTMN-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)no1 ZINC000151250761 384556410 /nfs/dbraw/zinc/55/64/10/384556410.db2.gz AIGXANBOQSWXCO-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1cccc(O)c1 ZINC000049715422 384561825 /nfs/dbraw/zinc/56/18/25/384561825.db2.gz SDGNCOCHJYCZPU-SECBINFHSA-N 1 2 217.272 1.966 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000335092376 384538432 /nfs/dbraw/zinc/53/84/32/384538432.db2.gz AOSNPQMZFZDSGU-ZYHUDNBSSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000183961879 384541415 /nfs/dbraw/zinc/54/14/15/384541415.db2.gz QHLIGVIQHCFFMQ-QWRGUYRKSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1ccc(C[NH2+]CC(F)(F)CO)s1 ZINC000183870687 384568549 /nfs/dbraw/zinc/56/85/49/384568549.db2.gz OLNIBRQWSIHZOS-UHFFFAOYSA-N 1 2 221.272 1.774 20 0 BDADLO O=C(CCC[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000049824738 384571255 /nfs/dbraw/zinc/57/12/55/384571255.db2.gz YWEVPUPGLURFMG-UHFFFAOYSA-N 1 2 246.310 1.081 20 0 BDADLO O=C(CCC[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000049824738 384571264 /nfs/dbraw/zinc/57/12/64/384571264.db2.gz YWEVPUPGLURFMG-UHFFFAOYSA-N 1 2 246.310 1.081 20 0 BDADLO C=Cn1cc(C[NH2+][C@H](C)c2ccon2)cn1 ZINC000309732713 384572258 /nfs/dbraw/zinc/57/22/58/384572258.db2.gz BMMMIQPTPPKTJX-SECBINFHSA-N 1 2 218.260 1.822 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000049956406 384577613 /nfs/dbraw/zinc/57/76/13/384577613.db2.gz KJYOEHQFJHOOAE-LLVKDONJSA-N 1 2 221.300 1.988 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000049956406 384577618 /nfs/dbraw/zinc/57/76/18/384577618.db2.gz KJYOEHQFJHOOAE-LLVKDONJSA-N 1 2 221.300 1.988 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ccnc2c1cnn2C ZINC000561233633 384583973 /nfs/dbraw/zinc/58/39/73/384583973.db2.gz QLYNJPUOLMBHDV-UHFFFAOYSA-N 1 2 242.286 1.328 20 0 BDADLO C[C@H]1C[C@H](C)N(c2cc(CO)cc[nH+]2)C1 ZINC000158120934 384609152 /nfs/dbraw/zinc/60/91/52/384609152.db2.gz ODUMWZBELBTLNJ-UWVGGRQHSA-N 1 2 206.289 1.809 20 0 BDADLO CC[C@](C)([NH2+]CCn1cc(C)cn1)C(=O)OC ZINC000428290630 384612014 /nfs/dbraw/zinc/61/20/14/384612014.db2.gz YZCOTCHNGGLRPP-LBPRGKRZSA-N 1 2 239.319 1.123 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CCCO)n1 ZINC000300857666 384613043 /nfs/dbraw/zinc/61/30/43/384613043.db2.gz UQUKGIKUZFAPEI-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CCCO)n1 ZINC000300857666 384613048 /nfs/dbraw/zinc/61/30/48/384613048.db2.gz UQUKGIKUZFAPEI-UHFFFAOYSA-N 1 2 213.281 1.007 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000172714881 384619243 /nfs/dbraw/zinc/61/92/43/384619243.db2.gz DSFGJOBJMBGOGN-UHFFFAOYSA-N 1 2 249.314 1.212 20 0 BDADLO Cc1cnc(N[C@@H](C)Cn2cc[nH+]c2)nc1C ZINC000271660658 384628661 /nfs/dbraw/zinc/62/86/61/384628661.db2.gz UYFSVLAHCUMJFA-JTQLQIEISA-N 1 2 231.303 1.791 20 0 BDADLO CC[N@H+](CCO)Cc1noc(-c2ccccc2)n1 ZINC000050105256 384593448 /nfs/dbraw/zinc/59/34/48/384593448.db2.gz GTXPTXYPTPMCCV-UHFFFAOYSA-N 1 2 247.298 1.551 20 0 BDADLO CC[N@@H+](CCO)Cc1noc(-c2ccccc2)n1 ZINC000050105256 384593454 /nfs/dbraw/zinc/59/34/54/384593454.db2.gz GTXPTXYPTPMCCV-UHFFFAOYSA-N 1 2 247.298 1.551 20 0 BDADLO CC(C)c1nc(CN(C)Cc2[nH+]ccn2C)no1 ZINC000162325150 384600688 /nfs/dbraw/zinc/60/06/88/384600688.db2.gz ZJKJVVMEWCAIDL-UHFFFAOYSA-N 1 2 249.318 1.559 20 0 BDADLO C[N@H+](CCCO)CC(=O)c1ccccc1F ZINC000300844223 384601648 /nfs/dbraw/zinc/60/16/48/384601648.db2.gz RHQDSLWAYCAXOX-UHFFFAOYSA-N 1 2 225.263 1.323 20 0 BDADLO C[N@@H+](CCCO)CC(=O)c1ccccc1F ZINC000300844223 384601657 /nfs/dbraw/zinc/60/16/57/384601657.db2.gz RHQDSLWAYCAXOX-UHFFFAOYSA-N 1 2 225.263 1.323 20 0 BDADLO CCCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363610503 384670817 /nfs/dbraw/zinc/67/08/17/384670817.db2.gz NQPIMGUTZIQWNI-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1O ZINC000042417255 384640318 /nfs/dbraw/zinc/64/03/18/384640318.db2.gz UQJRVGMUDHZFBF-SNVBAGLBSA-N 1 2 245.282 1.407 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)c1cccnc1 ZINC000086453734 384649953 /nfs/dbraw/zinc/64/99/53/384649953.db2.gz LDARPWZKNZGGTH-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000102671589 384723648 /nfs/dbraw/zinc/72/36/48/384723648.db2.gz RLKDUPHZMDFXSO-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000102671589 384723654 /nfs/dbraw/zinc/72/36/54/384723654.db2.gz RLKDUPHZMDFXSO-SNVBAGLBSA-N 1 2 243.328 1.207 20 0 BDADLO C[C@H](N[C@H]1CCn2cc[nH+]c21)C(F)F ZINC000306766853 384676778 /nfs/dbraw/zinc/67/67/78/384676778.db2.gz OMOOHGITRYKUSN-BQBZGAKWSA-N 1 2 201.220 1.571 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1occc1C ZINC000124808496 384676874 /nfs/dbraw/zinc/67/68/74/384676874.db2.gz AIWVQOCLIGAJRK-JTQLQIEISA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1occc1C ZINC000124808496 384676881 /nfs/dbraw/zinc/67/68/81/384676881.db2.gz AIWVQOCLIGAJRK-JTQLQIEISA-N 1 2 223.272 1.725 20 0 BDADLO CCC[C@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000309881356 384684377 /nfs/dbraw/zinc/68/43/77/384684377.db2.gz VLGPJWFWAWFLBP-NSHDSACASA-N 1 2 227.304 1.264 20 0 BDADLO C[C@@]1(O)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000162826943 384691505 /nfs/dbraw/zinc/69/15/05/384691505.db2.gz RQUFSVWRWAENPZ-CYBMUJFWSA-N 1 2 233.315 1.705 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@H](F)C2)c(C(F)F)n1 ZINC000335405528 384705085 /nfs/dbraw/zinc/70/50/85/384705085.db2.gz CFIXOTJGMDNVPM-MRVPVSSYSA-N 1 2 233.237 1.902 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@H](F)C2)c(C(F)F)n1 ZINC000335405528 384705094 /nfs/dbraw/zinc/70/50/94/384705094.db2.gz CFIXOTJGMDNVPM-MRVPVSSYSA-N 1 2 233.237 1.902 20 0 BDADLO COC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185497501 384731353 /nfs/dbraw/zinc/73/13/53/384731353.db2.gz BWQYSYHFHBGJGU-UHFFFAOYSA-N 1 2 249.310 1.143 20 0 BDADLO CCc1cc(N)nc(SC[C@@H](C)C(C)=O)[nH+]1 ZINC000279012690 384732975 /nfs/dbraw/zinc/73/29/75/384732975.db2.gz AOVSXLGIVSRWLV-SSDOTTSWSA-N 1 2 239.344 1.938 20 0 BDADLO CN(CCNc1cccc[nH+]1)CC(F)(F)F ZINC000309953345 384736939 /nfs/dbraw/zinc/73/69/39/384736939.db2.gz HAZSDIOEGZQURQ-UHFFFAOYSA-N 1 2 233.237 1.988 20 0 BDADLO C[N@H+](CCO)Cc1ccn(-c2ccccc2)n1 ZINC000060390188 384749781 /nfs/dbraw/zinc/74/97/81/384749781.db2.gz ZDHDGRKRFYTCCB-UHFFFAOYSA-N 1 2 231.299 1.296 20 0 BDADLO C[N@@H+](CCO)Cc1ccn(-c2ccccc2)n1 ZINC000060390188 384749791 /nfs/dbraw/zinc/74/97/91/384749791.db2.gz ZDHDGRKRFYTCCB-UHFFFAOYSA-N 1 2 231.299 1.296 20 0 BDADLO COC(=O)CC[N@H+](Cc1csnn1)C(C)C ZINC000125905120 384757077 /nfs/dbraw/zinc/75/70/77/384757077.db2.gz RKZRDBNEAFWCCC-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO COC(=O)CC[N@@H+](Cc1csnn1)C(C)C ZINC000125905120 384757083 /nfs/dbraw/zinc/75/70/83/384757083.db2.gz RKZRDBNEAFWCCC-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCCCO1 ZINC000336206313 384758787 /nfs/dbraw/zinc/75/87/87/384758787.db2.gz VKBGFUGAQFENLL-NSHDSACASA-N 1 2 249.314 1.390 20 0 BDADLO CCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053194653 384768582 /nfs/dbraw/zinc/76/85/82/384768582.db2.gz SKBVOFZUHXYFQW-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO c1coc(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000174674656 384826315 /nfs/dbraw/zinc/82/63/15/384826315.db2.gz GRXMWKRWGPVCGH-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CCCC[N@H+](C)CCNCc1[nH]ncc1C ZINC000310019648 384785674 /nfs/dbraw/zinc/78/56/74/384785674.db2.gz MOJWHTLCPBQFOC-UHFFFAOYSA-N 1 2 224.352 1.540 20 0 BDADLO CCCC[N@@H+](C)CCNCc1[nH]ncc1C ZINC000310019648 384785677 /nfs/dbraw/zinc/78/56/77/384785677.db2.gz MOJWHTLCPBQFOC-UHFFFAOYSA-N 1 2 224.352 1.540 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OC ZINC000308533121 384788709 /nfs/dbraw/zinc/78/87/09/384788709.db2.gz KRUZDVBFESXQHA-HRDYMLBCSA-N 1 2 217.334 1.279 20 0 BDADLO Cc1n[nH]cc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000335055367 384789552 /nfs/dbraw/zinc/78/95/52/384789552.db2.gz AVFKALDOSUHLPX-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1cnc(C)c(NCc2[nH+]ccn2C)n1 ZINC000083812976 384798624 /nfs/dbraw/zinc/79/86/24/384798624.db2.gz ORTJFYGQPSITEM-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)OC ZINC000336668863 384799919 /nfs/dbraw/zinc/79/99/19/384799919.db2.gz SUKUKQLWOMHIDV-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(CO)cc1 ZINC000163429921 384801523 /nfs/dbraw/zinc/80/15/23/384801523.db2.gz JRNYMDOLFCIXPY-UHFFFAOYSA-N 1 2 237.299 1.174 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(CO)cc1 ZINC000163429921 384801527 /nfs/dbraw/zinc/80/15/27/384801527.db2.gz JRNYMDOLFCIXPY-UHFFFAOYSA-N 1 2 237.299 1.174 20 0 BDADLO O=C(CCCC1CC1)NCCCn1cc[nH+]c1 ZINC000643121661 384805719 /nfs/dbraw/zinc/80/57/19/384805719.db2.gz KOZFULDJRGTRFI-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CCCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000174556856 384807283 /nfs/dbraw/zinc/80/72/83/384807283.db2.gz AWJDOAWEVFZHKC-LLVKDONJSA-N 1 2 223.320 1.968 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000175180375 384876790 /nfs/dbraw/zinc/87/67/90/384876790.db2.gz VCMZMSRFZYWSIM-WPRPVWTQSA-N 1 2 242.344 1.417 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](O)C2)cs1 ZINC000175180375 384876796 /nfs/dbraw/zinc/87/67/96/384876796.db2.gz VCMZMSRFZYWSIM-WPRPVWTQSA-N 1 2 242.344 1.417 20 0 BDADLO CC1(C)CCCC[N@H+](Cc2cn[nH]n2)C1 ZINC000336258463 384883879 /nfs/dbraw/zinc/88/38/79/384883879.db2.gz HHNOPZHCUZRVSM-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CC1(C)CCCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000336258463 384883888 /nfs/dbraw/zinc/88/38/88/384883888.db2.gz HHNOPZHCUZRVSM-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CSCC[N@H+](C)Cc1nccs1 ZINC000175301864 384890163 /nfs/dbraw/zinc/89/01/63/384890163.db2.gz HMBBTLOOFNGBIN-UHFFFAOYSA-N 1 2 202.348 1.938 20 0 BDADLO CSCC[N@@H+](C)Cc1nccs1 ZINC000175301864 384890174 /nfs/dbraw/zinc/89/01/74/384890174.db2.gz HMBBTLOOFNGBIN-UHFFFAOYSA-N 1 2 202.348 1.938 20 0 BDADLO CC[N@H+](CCn1cc(Cl)cn1)CC(=O)OC ZINC000312887360 384843522 /nfs/dbraw/zinc/84/35/22/384843522.db2.gz QNNUTMXJAWDLCQ-UHFFFAOYSA-N 1 2 245.710 1.031 20 0 BDADLO CC[N@@H+](CCn1cc(Cl)cn1)CC(=O)OC ZINC000312887360 384843531 /nfs/dbraw/zinc/84/35/31/384843531.db2.gz QNNUTMXJAWDLCQ-UHFFFAOYSA-N 1 2 245.710 1.031 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nccs1 ZINC000175092631 384864955 /nfs/dbraw/zinc/86/49/55/384864955.db2.gz HIFAQBOKIMZEJO-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nccs1 ZINC000175092631 384864966 /nfs/dbraw/zinc/86/49/66/384864966.db2.gz HIFAQBOKIMZEJO-MRVPVSSYSA-N 1 2 200.307 1.610 20 0 BDADLO CNc1ccc(Nc2cc(C)ncn2)c[nH+]1 ZINC000301221072 384867932 /nfs/dbraw/zinc/86/79/32/384867932.db2.gz BFJIEEQHXRENEP-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO COC[C@@H](C)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494361 384954022 /nfs/dbraw/zinc/95/40/22/384954022.db2.gz XILGHIVQQPPKJO-UWVGGRQHSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1ccc(CCNc2cnccn2)c[nH+]1 ZINC000301561347 384894149 /nfs/dbraw/zinc/89/41/49/384894149.db2.gz JAIGJSDDNHQNFB-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO COCCC1CC[NH+](Cc2ncnn2C)CC1 ZINC000528572807 384894447 /nfs/dbraw/zinc/89/44/47/384894447.db2.gz DVNJXJOEJRXZPG-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000234846622 384896878 /nfs/dbraw/zinc/89/68/78/384896878.db2.gz LFXPKALLFMPSRG-RKDXNWHRSA-N 1 2 225.292 1.281 20 0 BDADLO C[C@@H]([NH2+]CCF)c1c(F)cncc1F ZINC000308646317 384896985 /nfs/dbraw/zinc/89/69/85/384896985.db2.gz HUGQFEITYMPKLR-ZCFIWIBFSA-N 1 2 204.195 1.980 20 0 BDADLO Cc1ccc(O)c(CN2CC[NH+](C3CC3)CC2)n1 ZINC000127893759 384958678 /nfs/dbraw/zinc/95/86/78/384958678.db2.gz LWFNPSNEDNWPOS-UHFFFAOYSA-N 1 2 247.342 1.376 20 0 BDADLO Cc1ccc(O)c(C[NH+]2CCN(C3CC3)CC2)n1 ZINC000127893759 384958699 /nfs/dbraw/zinc/95/86/99/384958699.db2.gz LWFNPSNEDNWPOS-UHFFFAOYSA-N 1 2 247.342 1.376 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000171986778 384911425 /nfs/dbraw/zinc/91/14/25/384911425.db2.gz WEQSDCCYVCVVHA-SECBINFHSA-N 1 2 234.303 1.054 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CO1 ZINC000566162444 384915154 /nfs/dbraw/zinc/91/51/54/384915154.db2.gz UGEXBQAVUDQENH-WPRPVWTQSA-N 1 2 219.288 1.365 20 0 BDADLO C[C@H](O)CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000559455852 384928016 /nfs/dbraw/zinc/92/80/16/384928016.db2.gz MQLSSQVQWXUOIF-VIFPVBQESA-N 1 2 246.314 1.037 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000106880680 384938001 /nfs/dbraw/zinc/93/80/01/384938001.db2.gz MZDPNVBTNDOTHJ-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000106880680 384938010 /nfs/dbraw/zinc/93/80/10/384938010.db2.gz MZDPNVBTNDOTHJ-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccoc1 ZINC000087289819 384938978 /nfs/dbraw/zinc/93/89/78/384938978.db2.gz KTYMQCMIPUUTRN-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1cncc(NCCn2cc[nH+]c2)n1 ZINC000302206231 384970059 /nfs/dbraw/zinc/97/00/59/384970059.db2.gz DNOWCVFXHVJASB-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO C[C@H](CO)SCc1ccc(-n2cc[nH+]c2)nc1 ZINC000175942127 384985110 /nfs/dbraw/zinc/98/51/10/384985110.db2.gz VVCNTNMHWUIBID-SNVBAGLBSA-N 1 2 249.339 1.881 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000179646748 385010705 /nfs/dbraw/zinc/01/07/05/385010705.db2.gz DIWWPEBHVBGHAI-SNVBAGLBSA-N 1 2 223.320 1.203 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@H](C)C1 ZINC000179646748 385010714 /nfs/dbraw/zinc/01/07/14/385010714.db2.gz DIWWPEBHVBGHAI-SNVBAGLBSA-N 1 2 223.320 1.203 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(F)c(F)c(F)c1 ZINC000188062763 385010853 /nfs/dbraw/zinc/01/08/53/385010853.db2.gz NCRIULVGBMIBOX-UHFFFAOYSA-N 1 2 246.232 1.411 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(F)c(F)c(F)c1 ZINC000188062763 385010857 /nfs/dbraw/zinc/01/08/57/385010857.db2.gz NCRIULVGBMIBOX-UHFFFAOYSA-N 1 2 246.232 1.411 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC1(C)C ZINC000291899167 385055621 /nfs/dbraw/zinc/05/56/21/385055621.db2.gz MJUKAOSDVDSVEP-SNVBAGLBSA-N 1 2 236.319 1.408 20 0 BDADLO CC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000059834920 385058525 /nfs/dbraw/zinc/05/85/25/385058525.db2.gz SHYZKDDYXJZONY-UHFFFAOYSA-N 1 2 219.284 1.721 20 0 BDADLO CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(=O)[O-] ZINC000647467223 385058725 /nfs/dbraw/zinc/05/87/25/385058725.db2.gz WOZRTCGICDSAJE-LBPRGKRZSA-N 1 2 236.315 1.775 20 0 BDADLO Cn1cc(C[NH2+]Cc2c(Cl)cnn2C)cn1 ZINC000130728331 385060737 /nfs/dbraw/zinc/06/07/37/385060737.db2.gz TZFFENRZRCQCDS-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO CCOC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000644658500 385068652 /nfs/dbraw/zinc/06/86/52/385068652.db2.gz JZDVUUGIGDFSLZ-UHFFFAOYSA-N 1 2 224.308 1.114 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000644620049 385028774 /nfs/dbraw/zinc/02/87/74/385028774.db2.gz ZQKKPYLTHGXGPQ-LLMHMKPQSA-N 1 2 245.326 1.906 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000644620049 385028780 /nfs/dbraw/zinc/02/87/80/385028780.db2.gz ZQKKPYLTHGXGPQ-LLMHMKPQSA-N 1 2 245.326 1.906 20 0 BDADLO COC(=O)[C@]1([NH2+]CC2(C)CCC2)CCOC1 ZINC000336682143 385085098 /nfs/dbraw/zinc/08/50/98/385085098.db2.gz PJIKJGAUFPRNAY-LBPRGKRZSA-N 1 2 227.304 1.098 20 0 BDADLO Cc1noc(C[NH+]2CC(C)(C)OC(C)(C)C2)n1 ZINC000407950131 385107905 /nfs/dbraw/zinc/10/79/05/385107905.db2.gz WXDRTFKLBOTRNY-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000106461942 385120232 /nfs/dbraw/zinc/12/02/32/385120232.db2.gz PXXKBTYCJJDWPX-VIFPVBQESA-N 1 2 209.293 1.783 20 0 BDADLO COc1nccnc1C[N@@H+]1CCCOC[C@@H]1C ZINC000648375226 385121713 /nfs/dbraw/zinc/12/17/13/385121713.db2.gz VVWAIZHGXWQEFY-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@H+]1CCCOC[C@@H]1C ZINC000648375226 385121719 /nfs/dbraw/zinc/12/17/19/385121719.db2.gz VVWAIZHGXWQEFY-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO C[C@H](C(=O)NCCCCn1cc[nH+]c1)C1CC1 ZINC000530875001 385125946 /nfs/dbraw/zinc/12/59/46/385125946.db2.gz KNOAAHQBNDBQIQ-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N=c1cc(C(C)C)[nH][nH]1 ZINC000559690744 385134526 /nfs/dbraw/zinc/13/45/26/385134526.db2.gz HQQHBFUGYSIUBH-UHFFFAOYSA-N 1 2 247.302 1.168 20 0 BDADLO Cc1nc(C[NH+]2CCc3ccccc3CC2)n[nH]1 ZINC000644668540 385085545 /nfs/dbraw/zinc/08/55/45/385085545.db2.gz UKIZXORABHWREL-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1COCC1(C)C ZINC000313000047 385094486 /nfs/dbraw/zinc/09/44/86/385094486.db2.gz WYRFFWHOJUBUQJ-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](CO)c2ccccc2C)[nH]1 ZINC000644682263 385095338 /nfs/dbraw/zinc/09/53/38/385095338.db2.gz JUCATBAFTPCGLE-LBPRGKRZSA-N 1 2 246.314 1.245 20 0 BDADLO COC(=O)C(C)(C)NCc1cn2ccccc2[nH+]1 ZINC000108855778 385097491 /nfs/dbraw/zinc/09/74/91/385097491.db2.gz KSAJRVVYOSDHIE-UHFFFAOYSA-N 1 2 247.298 1.376 20 0 BDADLO CC[C@@H]1CCN1C(=O)NCc1c[nH+]cn1C ZINC000292012880 385098916 /nfs/dbraw/zinc/09/89/16/385098916.db2.gz MVKKBONLELITTI-SECBINFHSA-N 1 2 222.292 1.114 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1cncs1 ZINC000559645055 385104738 /nfs/dbraw/zinc/10/47/38/385104738.db2.gz VKQBZGDDBIYOJG-UHFFFAOYSA-N 1 2 247.323 1.840 20 0 BDADLO C=C/C(C)=C/CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000648291070 385106229 /nfs/dbraw/zinc/10/62/29/385106229.db2.gz WESZONYOJIFOAU-BJMVGYQFSA-N 1 2 219.288 1.891 20 0 BDADLO C[N@H+](CC(=O)N1CCCCC1)Cc1cccnc1 ZINC000152415970 385181790 /nfs/dbraw/zinc/18/17/90/385181790.db2.gz QBEZXXAIRIUKDH-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO C[N@@H+](CC(=O)N1CCCCC1)Cc1cccnc1 ZINC000152415970 385181797 /nfs/dbraw/zinc/18/17/97/385181797.db2.gz QBEZXXAIRIUKDH-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000359297932 385183341 /nfs/dbraw/zinc/18/33/41/385183341.db2.gz SDWKNKSCJNYUPJ-VIFPVBQESA-N 1 2 247.273 1.969 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc2c(c1)OCO2 ZINC000109826595 385193015 /nfs/dbraw/zinc/19/30/15/385193015.db2.gz ZHDPPBBUJMCFBF-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnc(C)[nH]1)c1c(C)noc1C ZINC000428356101 385193597 /nfs/dbraw/zinc/19/35/97/385193597.db2.gz SNXOKOYSBBSVJI-SNVBAGLBSA-N 1 2 249.318 1.959 20 0 BDADLO Cn1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000152046397 385152450 /nfs/dbraw/zinc/15/24/50/385152450.db2.gz GAQRYDLAXLVMFI-GFCCVEGCSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cn1 ZINC000152046397 385152453 /nfs/dbraw/zinc/15/24/53/385152453.db2.gz GAQRYDLAXLVMFI-GFCCVEGCSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cn1 ZINC000152046397 385152459 /nfs/dbraw/zinc/15/24/59/385152459.db2.gz GAQRYDLAXLVMFI-GFCCVEGCSA-N 1 2 245.330 1.870 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000279783315 385201296 /nfs/dbraw/zinc/20/12/96/385201296.db2.gz LMXZELGNOHBROS-GFCCVEGCSA-N 1 2 223.320 1.359 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000119735470 385180340 /nfs/dbraw/zinc/18/03/40/385180340.db2.gz SBWLPOPBJMVPIO-QWRGUYRKSA-N 1 2 209.293 1.457 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000308846556 385206852 /nfs/dbraw/zinc/20/68/52/385206852.db2.gz AJPKTCKFWVGYCV-IUCAKERBSA-N 1 2 229.345 1.422 20 0 BDADLO c1coc(-c2noc(C[N@@H+]3CCCOCC3)n2)c1 ZINC000363377968 385207177 /nfs/dbraw/zinc/20/71/77/385207177.db2.gz NHQPNCYECRUVOR-UHFFFAOYSA-N 1 2 249.270 1.552 20 0 BDADLO c1coc(-c2noc(C[N@H+]3CCCOCC3)n2)c1 ZINC000363377968 385207186 /nfs/dbraw/zinc/20/71/86/385207186.db2.gz NHQPNCYECRUVOR-UHFFFAOYSA-N 1 2 249.270 1.552 20 0 BDADLO CO[C@H](C)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000190086362 385209737 /nfs/dbraw/zinc/20/97/37/385209737.db2.gz KDHKYOXWOMZKKB-SECBINFHSA-N 1 2 237.303 1.855 20 0 BDADLO CC(=O)OC1CCN(c2cccc[nH+]2)CC1 ZINC000157534082 385212756 /nfs/dbraw/zinc/21/27/56/385212756.db2.gz QCVGJAKZUVXGNQ-UHFFFAOYSA-N 1 2 220.272 1.614 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000110127484 385215575 /nfs/dbraw/zinc/21/55/75/385215575.db2.gz OTVZKRYYZGKGFC-LLVKDONJSA-N 1 2 233.315 1.969 20 0 BDADLO CCOC[C@@H](C)[NH2+]Cc1csnn1 ZINC000044691064 385217560 /nfs/dbraw/zinc/21/75/60/385217560.db2.gz OXDIXZQQDDIANB-SSDOTTSWSA-N 1 2 201.295 1.053 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1cc(C)on1 ZINC000190266060 385226697 /nfs/dbraw/zinc/22/66/97/385226697.db2.gz WDRRPWOAWYWODN-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1cc(C)on1 ZINC000190266060 385226704 /nfs/dbraw/zinc/22/67/04/385226704.db2.gz WDRRPWOAWYWODN-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CN(CCC1CC1)C(=O)NCc1c[nH+]cn1C ZINC000292117616 385228034 /nfs/dbraw/zinc/22/80/34/385228034.db2.gz WRVUXIGLCLOVAC-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO CCc1nnc(C[N@H+](C)CC(O)(CC)CC)[nH]1 ZINC000626111112 385228350 /nfs/dbraw/zinc/22/83/50/385228350.db2.gz DCXVJRUQPQFSNZ-UHFFFAOYSA-N 1 2 240.351 1.350 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC(O)(CC)CC)[nH]1 ZINC000626111112 385228356 /nfs/dbraw/zinc/22/83/56/385228356.db2.gz DCXVJRUQPQFSNZ-UHFFFAOYSA-N 1 2 240.351 1.350 20 0 BDADLO Nc1[nH+]cnc(NCCc2ccccn2)c1Cl ZINC000227840967 385256893 /nfs/dbraw/zinc/25/68/93/385256893.db2.gz HWMNKSRUQNWJIG-UHFFFAOYSA-N 1 2 249.705 1.762 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cccn1C ZINC000153269044 385244190 /nfs/dbraw/zinc/24/41/90/385244190.db2.gz JTALIEVHWUQMDG-UHFFFAOYSA-N 1 2 237.347 1.325 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccn1C ZINC000153269044 385244203 /nfs/dbraw/zinc/24/42/03/385244203.db2.gz JTALIEVHWUQMDG-UHFFFAOYSA-N 1 2 237.347 1.325 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@@H]1c1ccccc1F ZINC000363511470 385307070 /nfs/dbraw/zinc/30/70/70/385307070.db2.gz MFUDQRRUWAUJIO-VXGBXAGGSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000363511470 385307073 /nfs/dbraw/zinc/30/70/73/385307073.db2.gz MFUDQRRUWAUJIO-VXGBXAGGSA-N 1 2 234.274 1.461 20 0 BDADLO C[C@@]1([NH2+]Cc2ccn[nH]2)CCO[C@@H]1C1CC1 ZINC000273191835 385310551 /nfs/dbraw/zinc/31/05/51/385310551.db2.gz ZJYBVSGMAHWWCG-VXGBXAGGSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@]1([NH2+]Cc2ccn[nH]2)CCO[C@H]1C1CC1 ZINC000273191832 385311348 /nfs/dbraw/zinc/31/13/48/385311348.db2.gz ZJYBVSGMAHWWCG-RYUDHWBXSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@]1(O)CC[N@H+](CC(=O)OCc2ccccc2)C1 ZINC000177978130 385313498 /nfs/dbraw/zinc/31/34/98/385313498.db2.gz WYJQTQQIWYDJJG-AWEZNQCLSA-N 1 2 249.310 1.187 20 0 BDADLO C[C@]1(O)CC[N@@H+](CC(=O)OCc2ccccc2)C1 ZINC000177978130 385313502 /nfs/dbraw/zinc/31/35/02/385313502.db2.gz WYJQTQQIWYDJJG-AWEZNQCLSA-N 1 2 249.310 1.187 20 0 BDADLO Cc1ccc(NC(=O)C(=O)NCC(C)C)c(C)[nH+]1 ZINC000154318344 385318154 /nfs/dbraw/zinc/31/81/54/385318154.db2.gz BCCUTVQMSWUCPG-UHFFFAOYSA-N 1 2 249.314 1.409 20 0 BDADLO C[N@H+](Cc1csnn1)[C@@H]1CCSC1 ZINC000130612038 385267138 /nfs/dbraw/zinc/26/71/38/385267138.db2.gz AZYTXIFASUQMHL-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO C[N@@H+](Cc1csnn1)[C@@H]1CCSC1 ZINC000130612038 385267146 /nfs/dbraw/zinc/26/71/46/385267146.db2.gz AZYTXIFASUQMHL-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO C[C@H](CNC(=O)C1=COCCC1)Cn1cc[nH+]c1 ZINC000153701880 385274280 /nfs/dbraw/zinc/27/42/80/385274280.db2.gz BAIFWDXLPYLQKP-LLVKDONJSA-N 1 2 249.314 1.330 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CSC[C@H]1C)C1CC1 ZINC000308904555 385276669 /nfs/dbraw/zinc/27/66/69/385276669.db2.gz CDYXTTZWTVURFY-SZEHBUNVSA-N 1 2 229.345 1.279 20 0 BDADLO CC(C)C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000292244536 385295546 /nfs/dbraw/zinc/29/55/46/385295546.db2.gz DSAXGKOOROJYFS-JTQLQIEISA-N 1 2 238.335 1.654 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2ccon2)C[C@@H]1C ZINC000191865454 385329649 /nfs/dbraw/zinc/32/96/49/385329649.db2.gz HOVSWVXWINBYRD-ONGXEEELSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccon2)C[C@@H]1C ZINC000191865454 385329652 /nfs/dbraw/zinc/32/96/52/385329652.db2.gz HOVSWVXWINBYRD-ONGXEEELSA-N 1 2 238.287 1.306 20 0 BDADLO c1[nH]nc(-c2cccnc2)c1C[NH+]1CCOCC1 ZINC000154534998 385334937 /nfs/dbraw/zinc/33/49/37/385334937.db2.gz QYSADTQHNWBDGL-UHFFFAOYSA-N 1 2 244.298 1.304 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000647313950 385340171 /nfs/dbraw/zinc/34/01/71/385340171.db2.gz PTNQNGNIRKKZAW-GMTAPVOTSA-N 1 2 233.315 1.312 20 0 BDADLO C[N@H+](CCOCc1ccccc1)[C@@H]1CCOC1=O ZINC000154678327 385347187 /nfs/dbraw/zinc/34/71/87/385347187.db2.gz NCANWWBAULACMS-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO C[N@@H+](CCOCc1ccccc1)[C@@H]1CCOC1=O ZINC000154678327 385347190 /nfs/dbraw/zinc/34/71/90/385347190.db2.gz NCANWWBAULACMS-CYBMUJFWSA-N 1 2 249.310 1.451 20 0 BDADLO Cc1csc(C[NH2+]Cc2snnc2C)n1 ZINC000309012381 385360901 /nfs/dbraw/zinc/36/09/01/385360901.db2.gz XTBRTORKZVFEIA-UHFFFAOYSA-N 1 2 240.357 1.901 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2c2ccco2)cc[nH+]1 ZINC000364332049 385362328 /nfs/dbraw/zinc/36/23/28/385362328.db2.gz XBIBTJVDQJDZFR-LLVKDONJSA-N 1 2 245.282 1.956 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155066460 385373124 /nfs/dbraw/zinc/37/31/24/385373124.db2.gz IMZDPSDRXZFEDW-ZDUSSCGKSA-N 1 2 248.326 1.736 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155066460 385373129 /nfs/dbraw/zinc/37/31/29/385373129.db2.gz IMZDPSDRXZFEDW-ZDUSSCGKSA-N 1 2 248.326 1.736 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155066574 385373256 /nfs/dbraw/zinc/37/32/56/385373256.db2.gz IMZDPSDRXZFEDW-CYBMUJFWSA-N 1 2 248.326 1.736 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155066574 385373262 /nfs/dbraw/zinc/37/32/62/385373262.db2.gz IMZDPSDRXZFEDW-CYBMUJFWSA-N 1 2 248.326 1.736 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000155124436 385377778 /nfs/dbraw/zinc/37/77/78/385377778.db2.gz WMNKNJXYWARQQA-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000155124436 385377780 /nfs/dbraw/zinc/37/77/80/385377780.db2.gz WMNKNJXYWARQQA-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCO)C(=O)OC(C)(C)C ZINC000179848340 385380891 /nfs/dbraw/zinc/38/08/91/385380891.db2.gz SHLSRBAGJMUPEP-UWVGGRQHSA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)[C@@H](C)NCc1c[nH+]c2ccc(C)cn12 ZINC000193098891 385385266 /nfs/dbraw/zinc/38/52/66/385385266.db2.gz UYQXXKZAFVCMNZ-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000193722460 385409407 /nfs/dbraw/zinc/40/94/07/385409407.db2.gz BIRSPEJGVIRJOR-GHMZBOCLSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000193722460 385409410 /nfs/dbraw/zinc/40/94/10/385409410.db2.gz BIRSPEJGVIRJOR-GHMZBOCLSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)cn1 ZINC000193800831 385412395 /nfs/dbraw/zinc/41/23/95/385412395.db2.gz HDXRSNAXSFOKSU-WCQYABFASA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)cn1 ZINC000193800831 385412399 /nfs/dbraw/zinc/41/23/99/385412399.db2.gz HDXRSNAXSFOKSU-WCQYABFASA-N 1 2 235.331 1.983 20 0 BDADLO c1cn(CCSC[C@@H]2CCCO2)c[nH+]1 ZINC000179079772 385439816 /nfs/dbraw/zinc/43/98/16/385439816.db2.gz VIVHCHVANAVYTF-JTQLQIEISA-N 1 2 212.318 1.795 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182364940 385442541 /nfs/dbraw/zinc/44/25/41/385442541.db2.gz DGPSHUNXJMYYGC-GARJFASQSA-N 1 2 229.320 1.485 20 0 BDADLO c1coc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195012914 385456079 /nfs/dbraw/zinc/45/60/79/385456079.db2.gz PPJSSKAQJSFWMZ-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO c1coc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000195012914 385456082 /nfs/dbraw/zinc/45/60/82/385456082.db2.gz PPJSSKAQJSFWMZ-LBPRGKRZSA-N 1 2 223.272 1.271 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1sccc1Cl ZINC000194309469 385428651 /nfs/dbraw/zinc/42/86/51/385428651.db2.gz IXSDWPGLKUZPMF-UHFFFAOYSA-N 1 2 246.763 1.922 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1sccc1Cl ZINC000194309469 385428653 /nfs/dbraw/zinc/42/86/53/385428653.db2.gz IXSDWPGLKUZPMF-UHFFFAOYSA-N 1 2 246.763 1.922 20 0 BDADLO CC1(C(=O)Nc2ccc(N)[nH+]c2)CCOCC1 ZINC000644084517 385434692 /nfs/dbraw/zinc/43/46/92/385434692.db2.gz YLYCWBWLUUDBMV-UHFFFAOYSA-N 1 2 235.287 1.249 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000157068451 385484085 /nfs/dbraw/zinc/48/40/85/385484085.db2.gz FWDGCLGAEUFEHD-ZJUUUORDSA-N 1 2 239.290 1.908 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157068295 385484098 /nfs/dbraw/zinc/48/40/98/385484098.db2.gz FWDGCLGAEUFEHD-UWVGGRQHSA-N 1 2 239.290 1.908 20 0 BDADLO CCCCC[NH2+][C@](C)(COC)C(=O)OC ZINC000182594403 385459751 /nfs/dbraw/zinc/45/97/51/385459751.db2.gz FVGIEWGQYBROQI-LLVKDONJSA-N 1 2 217.309 1.344 20 0 BDADLO CC1(C)C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492895746 385460371 /nfs/dbraw/zinc/46/03/71/385460371.db2.gz IOFIWAQLOWKVBC-XOULXFPDSA-N 1 2 249.314 1.497 20 0 BDADLO CC(C)Cn1ncnc1C[NH+]1CCCC1 ZINC000182628001 385461262 /nfs/dbraw/zinc/46/12/62/385461262.db2.gz UBBUGSMBRYKOFQ-UHFFFAOYSA-N 1 2 208.309 1.530 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CC=CCC1 ZINC000179791132 385491790 /nfs/dbraw/zinc/49/17/90/385491790.db2.gz HRQICEZZBPFLII-SNVBAGLBSA-N 1 2 206.293 1.593 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CC=CCC1 ZINC000179791132 385491794 /nfs/dbraw/zinc/49/17/94/385491794.db2.gz HRQICEZZBPFLII-SNVBAGLBSA-N 1 2 206.293 1.593 20 0 BDADLO COC[C@@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000179813236 385492559 /nfs/dbraw/zinc/49/25/59/385492559.db2.gz PTNZAKLVTVFRHC-VIFPVBQESA-N 1 2 237.303 1.794 20 0 BDADLO COC[C@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000179855616 385493596 /nfs/dbraw/zinc/49/35/96/385493596.db2.gz VATDBDVZGMINBQ-SECBINFHSA-N 1 2 237.303 1.794 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[C@H]1O ZINC000179862687 385496811 /nfs/dbraw/zinc/49/68/11/385496811.db2.gz UEMSTWYSUXQQEI-GHMZBOCLSA-N 1 2 235.287 1.425 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157417956 385499672 /nfs/dbraw/zinc/49/96/72/385499672.db2.gz FWDGCLGAEUFEHD-VHSXEESVSA-N 1 2 239.290 1.908 20 0 BDADLO CCCCCCNC(=O)COCc1[nH]cc[nH+]1 ZINC000180048064 385504658 /nfs/dbraw/zinc/50/46/58/385504658.db2.gz WHRISTNURHYJBG-UHFFFAOYSA-N 1 2 239.319 1.623 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000361012173 385509634 /nfs/dbraw/zinc/50/96/34/385509634.db2.gz WVYWLAAYDZIBBQ-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000361012173 385509637 /nfs/dbraw/zinc/50/96/37/385509637.db2.gz WVYWLAAYDZIBBQ-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO COC(=O)[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC000364877839 385533693 /nfs/dbraw/zinc/53/36/93/385533693.db2.gz PMHDQZDZJCIGPO-SNVBAGLBSA-N 1 2 249.314 1.420 20 0 BDADLO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000309363240 385549331 /nfs/dbraw/zinc/54/93/31/385549331.db2.gz PBYGJQIPEPBBBM-LLVKDONJSA-N 1 2 225.336 1.687 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccc(OC)n2)CCO1 ZINC000171823733 385520148 /nfs/dbraw/zinc/52/01/48/385520148.db2.gz BFHWDDWAKLCDFU-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccc(OC)n2)CCO1 ZINC000171823733 385520153 /nfs/dbraw/zinc/52/01/53/385520153.db2.gz BFHWDDWAKLCDFU-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CCO/C=C\C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000493113385 385523247 /nfs/dbraw/zinc/52/32/47/385523247.db2.gz GCRRLKQVYRKIKF-GWZUUTHWSA-N 1 2 249.314 1.666 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000172123258 385551953 /nfs/dbraw/zinc/55/19/53/385551953.db2.gz LFEQOULDSONDKD-CYBMUJFWSA-N 1 2 231.299 1.887 20 0 BDADLO COC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000172123258 385551956 /nfs/dbraw/zinc/55/19/56/385551956.db2.gz LFEQOULDSONDKD-CYBMUJFWSA-N 1 2 231.299 1.887 20 0 BDADLO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063387 385552243 /nfs/dbraw/zinc/55/22/43/385552243.db2.gz RUFKKSCPGNMMFS-SSDOTTSWSA-N 1 2 244.697 1.785 20 0 BDADLO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063387 385552247 /nfs/dbraw/zinc/55/22/47/385552247.db2.gz RUFKKSCPGNMMFS-SSDOTTSWSA-N 1 2 244.697 1.785 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H](C)COC(C)C)n1 ZINC000309394852 385560862 /nfs/dbraw/zinc/56/08/62/385560862.db2.gz VEHZWNNQNPGWDV-BDAKNGLRSA-N 1 2 227.308 1.842 20 0 BDADLO CC(C)[C@H]([NH2+]CCCO)C(=O)OC(C)(C)C ZINC000184314822 385606501 /nfs/dbraw/zinc/60/65/01/385606501.db2.gz AIOBJSOTGSNIQL-JTQLQIEISA-N 1 2 231.336 1.325 20 0 BDADLO Cn1c[nH+]cc1Cn1nc(C2CC2)nc1C1CC1 ZINC000269502937 385600095 /nfs/dbraw/zinc/60/00/95/385600095.db2.gz XNLLDZQYCLDDOV-UHFFFAOYSA-N 1 2 243.314 1.815 20 0 BDADLO Cc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)ncn1 ZINC000408171950 385604426 /nfs/dbraw/zinc/60/44/26/385604426.db2.gz PVYHUFIUPBXBCF-SNVBAGLBSA-N 1 2 229.287 1.850 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000309419003 385579682 /nfs/dbraw/zinc/57/96/82/385579682.db2.gz DEZWLXSFFPCIQP-XNWIYYODSA-N 1 2 229.320 1.484 20 0 BDADLO CC(C)c1cc(=NC(=O)/C=C/c2[nH]cc[nH+]2)[nH][nH]1 ZINC000493589267 385585059 /nfs/dbraw/zinc/58/50/59/385585059.db2.gz AYLWWXLKCBAUTI-ONEGZZNKSA-N 1 2 245.286 1.330 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnccc2C)[C@@H](C)C1 ZINC000269621738 385614973 /nfs/dbraw/zinc/61/49/73/385614973.db2.gz NOMHXWTXWXOFFN-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnccc2C)[C@@H](C)C1 ZINC000269621738 385614977 /nfs/dbraw/zinc/61/49/77/385614977.db2.gz NOMHXWTXWXOFFN-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cnccc2C)CCO1 ZINC000269655422 385618952 /nfs/dbraw/zinc/61/89/52/385618952.db2.gz WJEGEBCVECMPME-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cnccc2C)CCO1 ZINC000269655422 385618961 /nfs/dbraw/zinc/61/89/61/385618961.db2.gz WJEGEBCVECMPME-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CN(c1nc[nH+]c(N)c1Cl)[C@@H]1CCCOC1 ZINC000336651314 385622478 /nfs/dbraw/zinc/62/24/78/385622478.db2.gz FBZMQRQADPSJBY-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO CN(c1[nH+]cnc(N)c1Cl)[C@@H]1CCCOC1 ZINC000336651314 385622485 /nfs/dbraw/zinc/62/24/85/385622485.db2.gz FBZMQRQADPSJBY-SSDOTTSWSA-N 1 2 242.710 1.327 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncccn2)o1 ZINC000054459804 385629132 /nfs/dbraw/zinc/62/91/32/385629132.db2.gz JWEHZTOAZQADJV-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366562232 385631860 /nfs/dbraw/zinc/63/18/60/385631860.db2.gz VRQKHZXWMQFYKE-KGLIPLIRSA-N 1 2 246.310 1.618 20 0 BDADLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366562232 385631865 /nfs/dbraw/zinc/63/18/65/385631865.db2.gz VRQKHZXWMQFYKE-KGLIPLIRSA-N 1 2 246.310 1.618 20 0 BDADLO CC(C)CONC(=O)CCc1c[nH+]cn1C ZINC000281097151 385635810 /nfs/dbraw/zinc/63/58/10/385635810.db2.gz GIMLMEOHOPFHKO-UHFFFAOYSA-N 1 2 225.292 1.057 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CC[C@H](C)C1 ZINC000269594671 385611647 /nfs/dbraw/zinc/61/16/47/385611647.db2.gz UDQCJRONNJSPBP-CMPLNLGQSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CC[C@H](C)C1 ZINC000269594671 385611651 /nfs/dbraw/zinc/61/16/51/385611651.db2.gz UDQCJRONNJSPBP-CMPLNLGQSA-N 1 2 234.299 1.638 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000340060084 385611944 /nfs/dbraw/zinc/61/19/44/385611944.db2.gz UEXRQVIWJXXNLX-ZJUUUORDSA-N 1 2 219.288 1.414 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC000280854553 385612803 /nfs/dbraw/zinc/61/28/03/385612803.db2.gz XPGXQIOERFRKEV-MRVPVSSYSA-N 1 2 243.257 1.883 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000365144331 385613455 /nfs/dbraw/zinc/61/34/55/385613455.db2.gz YHTIUKSMGIEQPL-OTVCUZDGSA-N 1 2 233.315 1.740 20 0 BDADLO CC=C(CC)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000365144331 385613460 /nfs/dbraw/zinc/61/34/60/385613460.db2.gz YHTIUKSMGIEQPL-OTVCUZDGSA-N 1 2 233.315 1.740 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337406382 385651180 /nfs/dbraw/zinc/65/11/80/385651180.db2.gz MZJAXICGZXXSDI-RKDXNWHRSA-N 1 2 239.331 1.830 20 0 BDADLO CSC[C@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337406382 385651187 /nfs/dbraw/zinc/65/11/87/385651187.db2.gz MZJAXICGZXXSDI-RKDXNWHRSA-N 1 2 239.331 1.830 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451118898 385659722 /nfs/dbraw/zinc/65/97/22/385659722.db2.gz BKVSNRGKMXWNDV-JTQLQIEISA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451118898 385659724 /nfs/dbraw/zinc/65/97/24/385659724.db2.gz BKVSNRGKMXWNDV-JTQLQIEISA-N 1 2 240.347 1.010 20 0 BDADLO Cn1nnc(C[NH2+]C(C)(C)c2ccccc2)n1 ZINC000281368594 385663971 /nfs/dbraw/zinc/66/39/71/385663971.db2.gz AUQLAHUIAITDCS-UHFFFAOYSA-N 1 2 231.303 1.235 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CC(Cc2cccc(F)c2)C1 ZINC000372835811 385676425 /nfs/dbraw/zinc/67/64/25/385676425.db2.gz HYYOQDNQOMDCCX-CYBMUJFWSA-N 1 2 249.285 1.616 20 0 BDADLO CCc1nnc(C[NH+]2C[C@@H](C)[C@H]2C)s1 ZINC000645218999 385681314 /nfs/dbraw/zinc/68/13/14/385681314.db2.gz DRHXRJFKAHPFRP-HTQZYQBOSA-N 1 2 211.334 1.941 20 0 BDADLO CC[C@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000281620312 385686866 /nfs/dbraw/zinc/68/68/66/385686866.db2.gz KCVUGHDKVKRQJE-RYUDHWBXSA-N 1 2 246.314 1.255 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@@H+](CCCF)C2)O1 ZINC000408455841 385687960 /nfs/dbraw/zinc/68/79/60/385687960.db2.gz FPZINMPZBVXTTP-QMMMGPOBSA-N 1 2 229.255 1.314 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@H+](CCCF)C2)O1 ZINC000408455841 385687965 /nfs/dbraw/zinc/68/79/65/385687965.db2.gz FPZINMPZBVXTTP-QMMMGPOBSA-N 1 2 229.255 1.314 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCCF)C2)o1 ZINC000408455841 385687972 /nfs/dbraw/zinc/68/79/72/385687972.db2.gz FPZINMPZBVXTTP-QMMMGPOBSA-N 1 2 229.255 1.314 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCCF)C2)o1 ZINC000408455841 385687977 /nfs/dbraw/zinc/68/79/77/385687977.db2.gz FPZINMPZBVXTTP-QMMMGPOBSA-N 1 2 229.255 1.314 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@@H+](CCCF)C2)O1 ZINC000408455839 385689009 /nfs/dbraw/zinc/68/90/09/385689009.db2.gz FPZINMPZBVXTTP-MRVPVSSYSA-N 1 2 229.255 1.314 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@H+](CCCF)C2)O1 ZINC000408455839 385689012 /nfs/dbraw/zinc/68/90/12/385689012.db2.gz FPZINMPZBVXTTP-MRVPVSSYSA-N 1 2 229.255 1.314 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCCF)C2)o1 ZINC000408455839 385689019 /nfs/dbraw/zinc/68/90/19/385689019.db2.gz FPZINMPZBVXTTP-MRVPVSSYSA-N 1 2 229.255 1.314 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCCF)C2)o1 ZINC000408455839 385689021 /nfs/dbraw/zinc/68/90/21/385689021.db2.gz FPZINMPZBVXTTP-MRVPVSSYSA-N 1 2 229.255 1.314 20 0 BDADLO CC[C@@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270277091 385691133 /nfs/dbraw/zinc/69/11/33/385691133.db2.gz ILNOHRHCRLGIED-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO CC[C@@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270277091 385691138 /nfs/dbraw/zinc/69/11/38/385691138.db2.gz ILNOHRHCRLGIED-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO CC[C@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270277092 385691725 /nfs/dbraw/zinc/69/17/25/385691725.db2.gz ILNOHRHCRLGIED-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BDADLO CC[C@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270277092 385691731 /nfs/dbraw/zinc/69/17/31/385691731.db2.gz ILNOHRHCRLGIED-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BDADLO Cc1c[nH+]c(CNc2cnoc2C)n1C ZINC000336735365 385697115 /nfs/dbraw/zinc/69/71/15/385697115.db2.gz OCJRISPNYMHHOW-UHFFFAOYSA-N 1 2 206.249 1.637 20 0 BDADLO OCC(F)(F)C[NH2+][C@@H]1CCCSC1 ZINC000184706969 385701369 /nfs/dbraw/zinc/70/13/69/385701369.db2.gz ZJQBPIKQUWAINO-SSDOTTSWSA-N 1 2 211.277 1.099 20 0 BDADLO CC(C)[C@@](C)(CO)[NH2+]CC(=O)OC(C)(C)C ZINC000336687140 385702976 /nfs/dbraw/zinc/70/29/76/385702976.db2.gz UZACHRPMEDPCEC-GFCCVEGCSA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)c1ccoc1COCc1[nH]cc[nH+]1 ZINC000270385340 385703127 /nfs/dbraw/zinc/70/31/27/385703127.db2.gz DWRLPKJALBVJBD-UHFFFAOYSA-N 1 2 236.227 1.506 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000270462031 385709496 /nfs/dbraw/zinc/70/94/96/385709496.db2.gz LJYVAWLCFLGJIR-HZMBPMFUSA-N 1 2 243.310 1.837 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000184808283 385714046 /nfs/dbraw/zinc/71/40/46/385714046.db2.gz STQBGJHCLLCSTP-FSIBCCDJSA-N 1 2 207.277 1.524 20 0 BDADLO C[C@]1(O)CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000270542591 385716346 /nfs/dbraw/zinc/71/63/46/385716346.db2.gz CNEPEADSHGVFNX-ZDUSSCGKSA-N 1 2 248.330 1.260 20 0 BDADLO C[C@]1(O)CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000270542591 385716353 /nfs/dbraw/zinc/71/63/53/385716353.db2.gz CNEPEADSHGVFNX-ZDUSSCGKSA-N 1 2 248.330 1.260 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cnn(C)c1 ZINC000281393502 385667506 /nfs/dbraw/zinc/66/75/06/385667506.db2.gz XBDSPHKVYGPKRP-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cnn(C)c1 ZINC000281393502 385667513 /nfs/dbraw/zinc/66/75/13/385667513.db2.gz XBDSPHKVYGPKRP-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408458445 385716778 /nfs/dbraw/zinc/71/67/78/385716778.db2.gz UGDTVDJVXNTLCF-RKDXNWHRSA-N 1 2 243.282 1.703 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408458445 385716781 /nfs/dbraw/zinc/71/67/81/385716781.db2.gz UGDTVDJVXNTLCF-RKDXNWHRSA-N 1 2 243.282 1.703 20 0 BDADLO Cc1cncc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282115806 385733795 /nfs/dbraw/zinc/73/37/95/385733795.db2.gz JGTKOVGACROLGM-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cncc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282115806 385733800 /nfs/dbraw/zinc/73/38/00/385733800.db2.gz JGTKOVGACROLGM-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CSCC(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000282130703 385734429 /nfs/dbraw/zinc/73/44/29/385734429.db2.gz KBVNJLBFDMFIPV-UHFFFAOYSA-N 1 2 241.360 1.426 20 0 BDADLO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cn[nH]n1 ZINC000398303036 385748755 /nfs/dbraw/zinc/74/87/55/385748755.db2.gz SLJDSXGKCMVRGI-SECBINFHSA-N 1 2 234.278 1.665 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307702691 385786556 /nfs/dbraw/zinc/78/65/56/385786556.db2.gz UPKOOFKETXTLEB-MFKMUULPSA-N 1 2 201.335 1.405 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307702691 385786561 /nfs/dbraw/zinc/78/65/61/385786561.db2.gz UPKOOFKETXTLEB-MFKMUULPSA-N 1 2 201.335 1.405 20 0 BDADLO CC(=O)CCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000282301235 385749978 /nfs/dbraw/zinc/74/99/78/385749978.db2.gz SOOKDJJUFLKXMY-UHFFFAOYSA-N 1 2 249.314 1.205 20 0 BDADLO CSCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451851889 385758287 /nfs/dbraw/zinc/75/82/87/385758287.db2.gz MBJUBQMSVDASDF-SSDOTTSWSA-N 1 2 213.293 1.297 20 0 BDADLO CSCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451851889 385758290 /nfs/dbraw/zinc/75/82/90/385758290.db2.gz MBJUBQMSVDASDF-SSDOTTSWSA-N 1 2 213.293 1.297 20 0 BDADLO Cc1nonc1C[N@@H+]1CCc2ccsc2C1 ZINC000270922584 385759978 /nfs/dbraw/zinc/75/99/78/385759978.db2.gz PDOADZJTZUNAPZ-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1nonc1C[N@H+]1CCc2ccsc2C1 ZINC000270922584 385759980 /nfs/dbraw/zinc/75/99/80/385759980.db2.gz PDOADZJTZUNAPZ-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO CC(C)c1nc(N(C)C(C)C)nc(N(C)C)[nH+]1 ZINC000270986873 385767918 /nfs/dbraw/zinc/76/79/18/385767918.db2.gz WLSPGFMQFKTMJO-UHFFFAOYSA-N 1 2 237.351 1.906 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N(C)C(C)C)[nH+]1 ZINC000270986873 385767925 /nfs/dbraw/zinc/76/79/25/385767925.db2.gz WLSPGFMQFKTMJO-UHFFFAOYSA-N 1 2 237.351 1.906 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3cc[nH]n3)CC2)c1 ZINC000271036553 385775902 /nfs/dbraw/zinc/77/59/02/385775902.db2.gz KUQFYGXZERWRRD-UHFFFAOYSA-N 1 2 246.314 1.321 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(C(C)C)cn1 ZINC000282670104 385777182 /nfs/dbraw/zinc/77/71/82/385777182.db2.gz IPKDSDFMEPZUAZ-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H]1CCSC1)C(=O)OCC ZINC000309658106 385778241 /nfs/dbraw/zinc/77/82/41/385778241.db2.gz QMQDKEZMONIPCA-ZSZRGSJWSA-N 1 2 243.372 1.979 20 0 BDADLO C[C@@H](CO)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000282652879 385778630 /nfs/dbraw/zinc/77/86/30/385778630.db2.gz AVKIUQSIEJCNON-NSHDSACASA-N 1 2 237.299 1.042 20 0 BDADLO C[C@@H](CO)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000282652879 385778637 /nfs/dbraw/zinc/77/86/37/385778637.db2.gz AVKIUQSIEJCNON-NSHDSACASA-N 1 2 237.299 1.042 20 0 BDADLO CC(C)[C@H](NC(=O)CC(C)(C)O)c1[nH]cc[nH+]1 ZINC000282711707 385780449 /nfs/dbraw/zinc/78/04/49/385780449.db2.gz AQBPEJMOEDVNIT-JTQLQIEISA-N 1 2 239.319 1.384 20 0 BDADLO CCOc1ccc(C[N@H+](C)CC(N)=O)cc1F ZINC000259007646 385782446 /nfs/dbraw/zinc/78/24/46/385782446.db2.gz FWZNWYZHYAFNBT-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CCOc1ccc(C[N@@H+](C)CC(N)=O)cc1F ZINC000259007646 385782453 /nfs/dbraw/zinc/78/24/53/385782453.db2.gz FWZNWYZHYAFNBT-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO Cc1n[nH]cc1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000282735547 385783107 /nfs/dbraw/zinc/78/31/07/385783107.db2.gz CWNVMDVMNMMXST-SNVBAGLBSA-N 1 2 247.302 1.568 20 0 BDADLO CC(=O)c1ccc(C(=O)NCC[NH+]2CCC2)cc1 ZINC000337604010 385726045 /nfs/dbraw/zinc/72/60/45/385726045.db2.gz UISZRULRXDGDMR-UHFFFAOYSA-N 1 2 246.310 1.325 20 0 BDADLO CC(=O)CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000282042187 385726464 /nfs/dbraw/zinc/72/64/64/385726464.db2.gz GAPCXZYQRKCBAU-NSHDSACASA-N 1 2 249.314 1.833 20 0 BDADLO COc1c(C)c[nH+]c(CN(C)CCCO)c1C ZINC000282042973 385727494 /nfs/dbraw/zinc/72/74/94/385727494.db2.gz ZYYLAVXRIDHPAY-UHFFFAOYSA-N 1 2 238.331 1.521 20 0 BDADLO CC[C@H](OC)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283072602 385808561 /nfs/dbraw/zinc/80/85/61/385808561.db2.gz RWNOYVJTZUSROW-UWVGGRQHSA-N 1 2 239.319 1.648 20 0 BDADLO COc1cc(C)[nH+]c(CN2C(=O)CCC2=O)c1 ZINC000271231258 385808867 /nfs/dbraw/zinc/80/88/67/385808867.db2.gz UJMJHUKMSRZARP-UHFFFAOYSA-N 1 2 234.255 1.048 20 0 BDADLO COc1nccnc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000294135662 385811745 /nfs/dbraw/zinc/81/17/45/385811745.db2.gz FWWVDARBJCZDAI-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cccc(F)c1F ZINC000283951191 385812124 /nfs/dbraw/zinc/81/21/24/385812124.db2.gz LEMNTGAGFFKCLG-SSDOTTSWSA-N 1 2 238.241 1.934 20 0 BDADLO Cc1ccc(NC(=O)c2cn[nH]c2)c(C)[nH+]1 ZINC000087152477 385812174 /nfs/dbraw/zinc/81/21/74/385812174.db2.gz SCWCQNVVVCIKCW-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccn(C)c1)c1[nH]cc[nH+]1 ZINC000283167121 385812965 /nfs/dbraw/zinc/81/29/65/385812965.db2.gz ZSGHQMBMHQFTMV-LLVKDONJSA-N 1 2 246.314 1.875 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1CCO ZINC000283153581 385813025 /nfs/dbraw/zinc/81/30/25/385813025.db2.gz ONHJBSLEUIHTLU-XVHVLHHCSA-N 1 2 249.314 1.090 20 0 BDADLO CC[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317234 385817130 /nfs/dbraw/zinc/81/71/30/385817130.db2.gz NGYRMCNLYHTZPJ-SNVBAGLBSA-N 1 2 244.298 1.796 20 0 BDADLO Cc1c[nH]c(NC(=O)CCc2c[nH+]cn2C)n1 ZINC000283436375 385819485 /nfs/dbraw/zinc/81/94/85/385819485.db2.gz QFKORBABRBCLNF-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO CCCCN(C)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294189566 385820111 /nfs/dbraw/zinc/82/01/11/385820111.db2.gz DEZQTRZLAYYPJO-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCCCN(C)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294189566 385820115 /nfs/dbraw/zinc/82/01/15/385820115.db2.gz DEZQTRZLAYYPJO-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@]12C[C@H]1CCC2 ZINC000643369232 385822384 /nfs/dbraw/zinc/82/23/84/385822384.db2.gz QSWXXGSHFJKERA-BXUZGUMPSA-N 1 2 245.326 1.800 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@H](C)O2)cc[nH+]1 ZINC000397926570 385825325 /nfs/dbraw/zinc/82/53/25/385825325.db2.gz RMWBFLFSFRIPIO-WCBMZHEXSA-N 1 2 207.277 1.186 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCCO1 ZINC000283744621 385830623 /nfs/dbraw/zinc/83/06/23/385830623.db2.gz JCHUQGMYQUNSRW-SNVBAGLBSA-N 1 2 238.291 1.009 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2C2CC2)o1 ZINC000271494600 385833637 /nfs/dbraw/zinc/83/36/37/385833637.db2.gz MFUYZRQMLWXJSG-VIFPVBQESA-N 1 2 247.302 1.760 20 0 BDADLO CC[C@H]1CCN1C(=O)NCc1c[nH+]ccc1OC ZINC000294312190 385835960 /nfs/dbraw/zinc/83/59/60/385835960.db2.gz RPJGZJGIGHEHEE-NSHDSACASA-N 1 2 249.314 1.784 20 0 BDADLO Cn1cc(NCc2cn3ccccc3[nH+]2)cn1 ZINC000112346403 385839517 /nfs/dbraw/zinc/83/95/17/385839517.db2.gz FOXQEQBUBGLJQY-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000294410634 385847041 /nfs/dbraw/zinc/84/70/41/385847041.db2.gz IYQWPOZEESXMRZ-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO CC(F)(F)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000284022033 385847172 /nfs/dbraw/zinc/84/71/72/385847172.db2.gz LTNZJZCEKQDPDL-UHFFFAOYSA-N 1 2 243.257 1.702 20 0 BDADLO CCc1cc(NCc2cccc(OC)n2)nc[nH+]1 ZINC000603387050 385852535 /nfs/dbraw/zinc/85/25/35/385852535.db2.gz YYTJVXQDHAJEAO-UHFFFAOYSA-N 1 2 244.298 1.477 20 0 BDADLO CCCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294468177 385854539 /nfs/dbraw/zinc/85/45/39/385854539.db2.gz QUMYWJFAJHFFKC-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO CCCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294468177 385854542 /nfs/dbraw/zinc/85/45/42/385854542.db2.gz QUMYWJFAJHFFKC-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](CO)C1 ZINC000271126276 385790813 /nfs/dbraw/zinc/79/08/13/385790813.db2.gz LFNHJAFEHZVNDS-NSHDSACASA-N 1 2 249.314 1.626 20 0 BDADLO CCN(CCOC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000271127768 385790968 /nfs/dbraw/zinc/79/09/68/385790968.db2.gz LVJYFIDPKAVMNH-UHFFFAOYSA-N 1 2 237.303 1.890 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2C=CCCC2)no1 ZINC000183730545 385792025 /nfs/dbraw/zinc/79/20/25/385792025.db2.gz NEEKOOGQCROPRB-JTQLQIEISA-N 1 2 207.277 1.919 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2C=CCCC2)no1 ZINC000183730545 385792031 /nfs/dbraw/zinc/79/20/31/385792031.db2.gz NEEKOOGQCROPRB-JTQLQIEISA-N 1 2 207.277 1.919 20 0 BDADLO CONC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000193166747 385796526 /nfs/dbraw/zinc/79/65/26/385796526.db2.gz BRDBBCWTBXZEJG-QPJJXVBHSA-N 1 2 243.266 1.563 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000271170474 385796885 /nfs/dbraw/zinc/79/68/85/385796885.db2.gz CXLJIVHYBQTLEY-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cnccn1 ZINC000271170474 385796893 /nfs/dbraw/zinc/79/68/93/385796893.db2.gz CXLJIVHYBQTLEY-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC(=O)N[C@H](C)C2)s1 ZINC000294709437 385885767 /nfs/dbraw/zinc/88/57/67/385885767.db2.gz BUCJWGCQPHIBNY-SSDOTTSWSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC(=O)N[C@H](C)C2)s1 ZINC000294709437 385885770 /nfs/dbraw/zinc/88/57/70/385885770.db2.gz BUCJWGCQPHIBNY-SSDOTTSWSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nocc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000294821885 385899646 /nfs/dbraw/zinc/89/96/46/385899646.db2.gz XQXAIDQFGNJGDB-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000294821885 385899648 /nfs/dbraw/zinc/89/96/48/385899648.db2.gz XQXAIDQFGNJGDB-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO c1cn(CCS[C@@H]2CCCOC2)c[nH+]1 ZINC000272434603 385901825 /nfs/dbraw/zinc/90/18/25/385901825.db2.gz KDDROWGYPRTNMU-SNVBAGLBSA-N 1 2 212.318 1.795 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)cs1 ZINC000294844849 385904046 /nfs/dbraw/zinc/90/40/46/385904046.db2.gz OKGZIEVCKYZZLM-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)cs1 ZINC000294844849 385904049 /nfs/dbraw/zinc/90/40/49/385904049.db2.gz OKGZIEVCKYZZLM-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCCn1cc[nH+]c1 ZINC000285215173 385906009 /nfs/dbraw/zinc/90/60/09/385906009.db2.gz PVECKTHTAKCHRX-UHFFFAOYSA-N 1 2 246.314 1.765 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000285262798 385910223 /nfs/dbraw/zinc/91/02/23/385910223.db2.gz DDHPUMGJWFBMOU-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000285262798 385910230 /nfs/dbraw/zinc/91/02/30/385910230.db2.gz DDHPUMGJWFBMOU-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO c1nc2c(c(NCC3CCCC3)[nH+]1)OCCN2 ZINC000647855610 385911525 /nfs/dbraw/zinc/91/15/25/385911525.db2.gz RHEJFULHJNBBKN-UHFFFAOYSA-N 1 2 234.303 1.305 20 0 BDADLO c1nc(NCC2CCCC2)c2c([nH+]1)NCCO2 ZINC000647855610 385911527 /nfs/dbraw/zinc/91/15/27/385911527.db2.gz RHEJFULHJNBBKN-UHFFFAOYSA-N 1 2 234.303 1.305 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)CC(C)(C)CO ZINC000294899065 385912542 /nfs/dbraw/zinc/91/25/42/385912542.db2.gz XDHFQSKNOFGPOI-UHFFFAOYSA-N 1 2 245.754 1.524 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)CC(C)(C)CO ZINC000294899065 385912544 /nfs/dbraw/zinc/91/25/44/385912544.db2.gz XDHFQSKNOFGPOI-UHFFFAOYSA-N 1 2 245.754 1.524 20 0 BDADLO CC[C@H](CO)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000294938135 385922072 /nfs/dbraw/zinc/92/20/72/385922072.db2.gz LHOIICNXYJLJBI-LLVKDONJSA-N 1 2 249.358 1.871 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nccn2C(F)F)C1 ZINC000285454191 385926919 /nfs/dbraw/zinc/92/69/19/385926919.db2.gz SUUWISYGZXREQU-DTORHVGOSA-N 1 2 245.273 1.887 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nccn2C(F)F)C1 ZINC000285454191 385926928 /nfs/dbraw/zinc/92/69/28/385926928.db2.gz SUUWISYGZXREQU-DTORHVGOSA-N 1 2 245.273 1.887 20 0 BDADLO C[C@H](O)CNc1cc(NCc2ccoc2)nc[nH+]1 ZINC000294531367 385862767 /nfs/dbraw/zinc/86/27/67/385862767.db2.gz VJQPXWACMWDJPG-VIFPVBQESA-N 1 2 248.286 1.474 20 0 BDADLO C[C@H](O)CNc1cc(NCc2ccoc2)[nH+]cn1 ZINC000294531367 385862771 /nfs/dbraw/zinc/86/27/71/385862771.db2.gz VJQPXWACMWDJPG-VIFPVBQESA-N 1 2 248.286 1.474 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000284397036 385867154 /nfs/dbraw/zinc/86/71/54/385867154.db2.gz NAQAGABCUVCRLZ-VMZHVLLKSA-N 1 2 249.314 1.354 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)C2(C)C)cs1 ZINC000294592097 385872468 /nfs/dbraw/zinc/87/24/68/385872468.db2.gz AADUKZSYWCBDDB-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)C2(C)C)cs1 ZINC000294592097 385872473 /nfs/dbraw/zinc/87/24/73/385872473.db2.gz AADUKZSYWCBDDB-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000294649464 385878301 /nfs/dbraw/zinc/87/83/01/385878301.db2.gz BHNZVWXPRAZXFY-NEPJUHHUSA-N 1 2 249.314 1.239 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000294649464 385878310 /nfs/dbraw/zinc/87/83/10/385878310.db2.gz BHNZVWXPRAZXFY-NEPJUHHUSA-N 1 2 249.314 1.239 20 0 BDADLO CCC[C@@H](OC)C(=O)Nc1c[nH+]ccc1OC ZINC000294673913 385880039 /nfs/dbraw/zinc/88/00/39/385880039.db2.gz WHHMDLVJPVIOLT-LLVKDONJSA-N 1 2 238.287 1.844 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC(=O)CC1 ZINC000272158527 385880478 /nfs/dbraw/zinc/88/04/78/385880478.db2.gz AOLAOJDVVRCNEP-UHFFFAOYSA-N 1 2 243.266 1.139 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(C(F)F)no1 ZINC000425412913 385980302 /nfs/dbraw/zinc/98/03/02/385980302.db2.gz ZXGQMMMDQBDTAM-UHFFFAOYSA-N 1 2 249.261 1.866 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(C(F)F)no1 ZINC000425412913 385980307 /nfs/dbraw/zinc/98/03/07/385980307.db2.gz ZXGQMMMDQBDTAM-UHFFFAOYSA-N 1 2 249.261 1.866 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)C(C)(C)C)co1 ZINC000647967112 385980967 /nfs/dbraw/zinc/98/09/67/385980967.db2.gz RROHHCXFBTZVQJ-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)C(C)(C)C)co1 ZINC000647967112 385980972 /nfs/dbraw/zinc/98/09/72/385980972.db2.gz RROHHCXFBTZVQJ-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO COCCN(C[C@H](C)O)c1[nH]c2ccccc2[nH+]1 ZINC000414135124 385984531 /nfs/dbraw/zinc/98/45/31/385984531.db2.gz DUOZHZYFFATXHN-JTQLQIEISA-N 1 2 249.314 1.397 20 0 BDADLO Cc1nc(N2CCC[C@@]2(C)CCCO)cc[nH+]1 ZINC000273286561 385985453 /nfs/dbraw/zinc/98/54/53/385985453.db2.gz JROGNDUOUWZJLL-ZDUSSCGKSA-N 1 2 235.331 1.916 20 0 BDADLO C[N@H+](CC(=O)NC1CCCC1)Cc1ccoc1 ZINC000345089562 385992062 /nfs/dbraw/zinc/99/20/62/385992062.db2.gz HVVOWLILMSTHQL-UHFFFAOYSA-N 1 2 236.315 1.770 20 0 BDADLO C[N@@H+](CC(=O)NC1CCCC1)Cc1ccoc1 ZINC000345089562 385992072 /nfs/dbraw/zinc/99/20/72/385992072.db2.gz HVVOWLILMSTHQL-UHFFFAOYSA-N 1 2 236.315 1.770 20 0 BDADLO CC(C)(C)NC(=O)C[NH2+]Cc1cscn1 ZINC000057624148 385939460 /nfs/dbraw/zinc/93/94/60/385939460.db2.gz GQADPYUYFXNNOF-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC(C)(O)CC2)s1 ZINC000338288664 385941508 /nfs/dbraw/zinc/94/15/08/385941508.db2.gz RJXWNDKMUPULAE-MRVPVSSYSA-N 1 2 241.360 1.754 20 0 BDADLO C[N@H+](Cc1nc(-c2ccco2)no1)C1(CO)CC1 ZINC000285537498 385941505 /nfs/dbraw/zinc/94/15/05/385941505.db2.gz PQIFPKGLSOJIBH-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccco2)no1)C1(CO)CC1 ZINC000285537498 385941512 /nfs/dbraw/zinc/94/15/12/385941512.db2.gz PQIFPKGLSOJIBH-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO CO[C@H](C)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000272857282 385942567 /nfs/dbraw/zinc/94/25/67/385942567.db2.gz RKGATQTZKJKCTM-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO Cc1ccc(Cn2ccccc2=O)c(C)[nH+]1 ZINC000335048998 385946598 /nfs/dbraw/zinc/94/65/98/385946598.db2.gz LOGAKKNMBQOYKS-UHFFFAOYSA-N 1 2 214.268 1.908 20 0 BDADLO Cn1nccc1C1=CC[N@H+](Cc2ccon2)CC1 ZINC000285613377 385951575 /nfs/dbraw/zinc/95/15/75/385951575.db2.gz MVQKEPAVMIKUKM-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cn1nccc1C1=CC[N@@H+](Cc2ccon2)CC1 ZINC000285613377 385951581 /nfs/dbraw/zinc/95/15/81/385951581.db2.gz MVQKEPAVMIKUKM-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C2CC(O)C2)s1 ZINC000338302437 385953495 /nfs/dbraw/zinc/95/34/95/385953495.db2.gz JMZYNAHCLZSBMW-GVWIPJJGSA-N 1 2 227.333 1.363 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C2CC(O)C2)s1 ZINC000338302437 385953498 /nfs/dbraw/zinc/95/34/98/385953498.db2.gz JMZYNAHCLZSBMW-GVWIPJJGSA-N 1 2 227.333 1.363 20 0 BDADLO COC(=O)c1occc1C[NH2+][C@H](C)CF ZINC000336768454 385957554 /nfs/dbraw/zinc/95/75/54/385957554.db2.gz UFWRDFONIDWPOZ-SSDOTTSWSA-N 1 2 215.224 1.514 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2ccncc2)C[C@H](CO)O1 ZINC000425991462 385957980 /nfs/dbraw/zinc/95/79/80/385957980.db2.gz VVNMKENACBQUOX-BTBCPRSTSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2ccncc2)C[C@H](CO)O1 ZINC000425991462 385957985 /nfs/dbraw/zinc/95/79/85/385957985.db2.gz VVNMKENACBQUOX-BTBCPRSTSA-N 1 2 248.326 1.176 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295092947 385963018 /nfs/dbraw/zinc/96/30/18/385963018.db2.gz UBYGXHSFUQFWCB-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295092947 385963028 /nfs/dbraw/zinc/96/30/28/385963028.db2.gz UBYGXHSFUQFWCB-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C)C2)s1 ZINC000338311134 385963383 /nfs/dbraw/zinc/96/33/83/385963383.db2.gz WDFALDKFRDJHLC-KHQFGBGNSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](O)[C@H](C)C2)s1 ZINC000338311134 385963390 /nfs/dbraw/zinc/96/33/90/385963390.db2.gz WDFALDKFRDJHLC-KHQFGBGNSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295098310 385968416 /nfs/dbraw/zinc/96/84/16/385968416.db2.gz UMVAFKCQNIOMNI-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295098310 385968420 /nfs/dbraw/zinc/96/84/20/385968420.db2.gz UMVAFKCQNIOMNI-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1C ZINC000295113304 385969483 /nfs/dbraw/zinc/96/94/83/385969483.db2.gz WIXMHCIIBJGISU-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1C ZINC000295113304 385969489 /nfs/dbraw/zinc/96/94/89/385969489.db2.gz WIXMHCIIBJGISU-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO O[C@H]1CC[N@H+](CC(F)F)C2(CCC2)C1 ZINC000643255936 386001659 /nfs/dbraw/zinc/00/16/59/386001659.db2.gz ZQPSCEYNBXZCQM-QMMMGPOBSA-N 1 2 205.248 1.631 20 0 BDADLO O[C@H]1CC[N@@H+](CC(F)F)C2(CCC2)C1 ZINC000643255936 386001663 /nfs/dbraw/zinc/00/16/63/386001663.db2.gz ZQPSCEYNBXZCQM-QMMMGPOBSA-N 1 2 205.248 1.631 20 0 BDADLO Cc1nnc(N(C)CCCn2cc[nH+]c2)o1 ZINC000286190240 386005058 /nfs/dbraw/zinc/00/50/58/386005058.db2.gz LOIYYEPFUKEIRF-UHFFFAOYSA-N 1 2 221.264 1.101 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000295285848 386006155 /nfs/dbraw/zinc/00/61/55/386006155.db2.gz DKVISECOFUVISK-LBPRGKRZSA-N 1 2 241.262 1.669 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000295285848 386006159 /nfs/dbraw/zinc/00/61/59/386006159.db2.gz DKVISECOFUVISK-LBPRGKRZSA-N 1 2 241.262 1.669 20 0 BDADLO CCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334433612 386056039 /nfs/dbraw/zinc/05/60/39/386056039.db2.gz DIQGNTUYSZSYIH-VIFPVBQESA-N 1 2 207.277 1.873 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cscn1)C1CC1 ZINC000336751470 386011089 /nfs/dbraw/zinc/01/10/89/386011089.db2.gz CZLJGXALTORZKP-JTQLQIEISA-N 1 2 240.328 1.227 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(F)(F)F ZINC000345147071 386012171 /nfs/dbraw/zinc/01/21/71/386012171.db2.gz VXGWXTUYSQPWKR-ZCFIWIBFSA-N 1 2 235.209 1.267 20 0 BDADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000234047541 386020823 /nfs/dbraw/zinc/02/08/23/386020823.db2.gz XKLLVGRQVZRXHQ-NSHDSACASA-N 1 2 231.303 1.451 20 0 BDADLO C[C@@H](O)CCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000366051412 386024207 /nfs/dbraw/zinc/02/42/07/386024207.db2.gz YLUPZYHQXLHSHM-LLVKDONJSA-N 1 2 246.314 1.262 20 0 BDADLO Cc1cnccc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000295451126 386033970 /nfs/dbraw/zinc/03/39/70/386033970.db2.gz QFEYFDBVZPEUOM-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000295451126 386033973 /nfs/dbraw/zinc/03/39/73/386033973.db2.gz QFEYFDBVZPEUOM-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccncc2)CCO1 ZINC000334431098 386034027 /nfs/dbraw/zinc/03/40/27/386034027.db2.gz KDDHYZXFZCMTFM-QAVQXKDTSA-N 1 2 218.300 1.816 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CCO1 ZINC000334431098 386034031 /nfs/dbraw/zinc/03/40/31/386034031.db2.gz KDDHYZXFZCMTFM-QAVQXKDTSA-N 1 2 218.300 1.816 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc(F)c(F)c1O ZINC000335074667 386040554 /nfs/dbraw/zinc/04/05/54/386040554.db2.gz FJRNPYXOIGBEKV-UHFFFAOYSA-N 1 2 230.214 1.171 20 0 BDADLO C[NH2+]Cc1noc(C[C@@H]2CCC[C@@H]2C)n1 ZINC000414644433 386043807 /nfs/dbraw/zinc/04/38/07/386043807.db2.gz OFGVCCKDKQQXFS-IUCAKERBSA-N 1 2 209.293 1.768 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2ccc(C)nc2)n1 ZINC000414644484 386045420 /nfs/dbraw/zinc/04/54/20/386045420.db2.gz OJALLEOOWPTZAI-WAYWQWQTSA-N 1 2 230.271 1.663 20 0 BDADLO CCc1nc(N(CC)[C@@H]2CCNC2=O)cc(C)[nH+]1 ZINC000286571088 386051621 /nfs/dbraw/zinc/05/16/21/386051621.db2.gz VOVKDYCDDUIZBJ-SNVBAGLBSA-N 1 2 248.330 1.062 20 0 BDADLO CCc1nc(N(CC)[C@H]2CCNC2=O)cc(C)[nH+]1 ZINC000286571086 386052271 /nfs/dbraw/zinc/05/22/71/386052271.db2.gz VOVKDYCDDUIZBJ-JTQLQIEISA-N 1 2 248.330 1.062 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000335080032 386053212 /nfs/dbraw/zinc/05/32/12/386053212.db2.gz YTRQWPRMCAZJKP-NXEZZACHSA-N 1 2 239.294 1.896 20 0 BDADLO CCC(CC)([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000425434241 386053397 /nfs/dbraw/zinc/05/33/97/386053397.db2.gz PSVPIRKJISTDKB-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CCC(CC)([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000425434242 386053641 /nfs/dbraw/zinc/05/36/41/386053641.db2.gz PSVPIRKJISTDKB-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C(F)F)no2)CC[C@H]1O ZINC000425433003 386053857 /nfs/dbraw/zinc/05/38/57/386053857.db2.gz MNLDUXNICCAMIM-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C(F)F)no2)CC[C@H]1O ZINC000425433003 386053866 /nfs/dbraw/zinc/05/38/66/386053866.db2.gz MNLDUXNICCAMIM-NKWVEPMBSA-N 1 2 247.245 1.210 20 0 BDADLO C[N@H+](CC(=O)NCc1ccco1)Cc1ccoc1 ZINC000345093293 385995537 /nfs/dbraw/zinc/99/55/37/385995537.db2.gz AJHNSBDZVAOZBQ-UHFFFAOYSA-N 1 2 248.282 1.621 20 0 BDADLO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccoc1 ZINC000345093293 385995540 /nfs/dbraw/zinc/99/55/40/385995540.db2.gz AJHNSBDZVAOZBQ-UHFFFAOYSA-N 1 2 248.282 1.621 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000334433765 386055668 /nfs/dbraw/zinc/05/56/68/386055668.db2.gz NAMQFQDPHNYSPU-LLVKDONJSA-N 1 2 214.284 1.041 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000334433765 386055671 /nfs/dbraw/zinc/05/56/71/386055671.db2.gz NAMQFQDPHNYSPU-LLVKDONJSA-N 1 2 214.284 1.041 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccccn1 ZINC000273400558 385996789 /nfs/dbraw/zinc/99/67/89/385996789.db2.gz LZKFYGGUTXQRKE-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccccn1 ZINC000273400558 385996799 /nfs/dbraw/zinc/99/67/99/385996799.db2.gz LZKFYGGUTXQRKE-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000295938168 386109596 /nfs/dbraw/zinc/10/95/96/386109596.db2.gz AYEFLXULDKDTOA-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cnccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000295938168 386109599 /nfs/dbraw/zinc/10/95/99/386109599.db2.gz AYEFLXULDKDTOA-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Fc1c[nH]ccc1=[NH+]Cc1cnc(C2CC2)nc1 ZINC000414314545 386115745 /nfs/dbraw/zinc/11/57/45/386115745.db2.gz LGYNNRXPYIFJQA-UHFFFAOYSA-N 1 2 244.273 1.922 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000424886952 386117374 /nfs/dbraw/zinc/11/73/74/386117374.db2.gz FHUOSHDWPXVHCC-WCQYABFASA-N 1 2 249.358 1.905 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000076296782 386118618 /nfs/dbraw/zinc/11/86/18/386118618.db2.gz DDMUMKDOUKUFEG-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000076296782 386118624 /nfs/dbraw/zinc/11/86/24/386118624.db2.gz DDMUMKDOUKUFEG-SCZZXKLOSA-N 1 2 225.292 1.550 20 0 BDADLO O=S1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000334461942 386118740 /nfs/dbraw/zinc/11/87/40/386118740.db2.gz PSEXJEUDPRGNPZ-ZIAGYGMSSA-N 1 2 249.379 1.854 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+]1Cc1noc(C)n1 ZINC000189640958 386066424 /nfs/dbraw/zinc/06/64/24/386066424.db2.gz GLZDVXFZOHCFEM-NSHDSACASA-N 1 2 225.292 1.115 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+]1Cc1noc(C)n1 ZINC000189640958 386066431 /nfs/dbraw/zinc/06/64/31/386066431.db2.gz GLZDVXFZOHCFEM-NSHDSACASA-N 1 2 225.292 1.115 20 0 BDADLO COc1nccnc1CNc1ccc[nH+]c1C ZINC000295673421 386069165 /nfs/dbraw/zinc/06/91/65/386069165.db2.gz KJOVCTGXSYUPFP-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000338595162 386069945 /nfs/dbraw/zinc/06/99/45/386069945.db2.gz CBFWTELEBIBPKP-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000338595162 386069952 /nfs/dbraw/zinc/06/99/52/386069952.db2.gz CBFWTELEBIBPKP-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C/C=C(\CC)C(=O)NCc1[nH+]ccn1CC ZINC000295722418 386075106 /nfs/dbraw/zinc/07/51/06/386075106.db2.gz QNPSAAIYTUAKJE-ONNFQVAWSA-N 1 2 221.304 1.876 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000334445128 386078956 /nfs/dbraw/zinc/07/89/56/386078956.db2.gz OBIKGAIBPDVARI-GXSJLCMTSA-N 1 2 229.283 1.863 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccncc1)C1CC1 ZINC000234564538 386080705 /nfs/dbraw/zinc/08/07/05/386080705.db2.gz GRUMNOXVGXKRTE-GFCCVEGCSA-N 1 2 234.299 1.165 20 0 BDADLO Cc1c(C[N@@H+]2CCC[C@](F)(CO)C2)cnn1C ZINC000286909035 386083145 /nfs/dbraw/zinc/08/31/45/386083145.db2.gz MDZVDWYQHFBBCP-GFCCVEGCSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1c(C[N@H+]2CCC[C@](F)(CO)C2)cnn1C ZINC000286909035 386083149 /nfs/dbraw/zinc/08/31/49/386083149.db2.gz MDZVDWYQHFBBCP-GFCCVEGCSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)[nH+]c2)nn1C ZINC000414289771 386099108 /nfs/dbraw/zinc/09/91/08/386099108.db2.gz IFASSWNUIOMFJF-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CC(=O)c1ccc(C[N@@H+](C)CC(=O)N(C)C)cc1 ZINC000296185282 386145485 /nfs/dbraw/zinc/14/54/85/386145485.db2.gz BFLWQEJVSGOJOZ-UHFFFAOYSA-N 1 2 248.326 1.409 20 0 BDADLO CC(=O)c1ccc(C[N@H+](C)CC(=O)N(C)C)cc1 ZINC000296185282 386145493 /nfs/dbraw/zinc/14/54/93/386145493.db2.gz BFLWQEJVSGOJOZ-UHFFFAOYSA-N 1 2 248.326 1.409 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccoc1C ZINC000414365442 386149061 /nfs/dbraw/zinc/14/90/61/386149061.db2.gz LQZVOVHSIGCHCL-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccoc1C ZINC000414365442 386149067 /nfs/dbraw/zinc/14/90/67/386149067.db2.gz LQZVOVHSIGCHCL-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(C)nn2)CCO1 ZINC000414369918 386155198 /nfs/dbraw/zinc/15/51/98/386155198.db2.gz KLOBMXZDPHGUPK-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(C)nn2)CCO1 ZINC000414369918 386155203 /nfs/dbraw/zinc/15/52/03/386155203.db2.gz KLOBMXZDPHGUPK-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)CO1 ZINC000645391683 386161120 /nfs/dbraw/zinc/16/11/20/386161120.db2.gz KZGHOVCTDCHYNG-UWVGGRQHSA-N 1 2 235.331 1.785 20 0 BDADLO O=C1NCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000296325950 386164000 /nfs/dbraw/zinc/16/40/00/386164000.db2.gz OVLLIROXTRYWFW-VIFPVBQESA-N 1 2 232.287 1.045 20 0 BDADLO CCN(C)C(=O)[C@@H](Nc1cccc[nH+]1)C(C)C ZINC000296366254 386167443 /nfs/dbraw/zinc/16/74/43/386167443.db2.gz SHMPXHDSZJCWMW-LBPRGKRZSA-N 1 2 235.331 1.996 20 0 BDADLO Cc1cc(N2CCC[C@H](c3nnc[nH]3)C2)nc[nH+]1 ZINC000408351440 386190623 /nfs/dbraw/zinc/19/06/23/386190623.db2.gz DYJBLGOGRADGQX-JTQLQIEISA-N 1 2 244.302 1.287 20 0 BDADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)C[C@H]2C[C@H]2C1 ZINC000338892606 386169571 /nfs/dbraw/zinc/16/95/71/386169571.db2.gz PYOPMSZOSMSENZ-PJXYFTJBSA-N 1 2 233.315 1.436 20 0 BDADLO C[C@H](CF)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000288363815 386190786 /nfs/dbraw/zinc/19/07/86/386190786.db2.gz DEIFIAGIAUFFJE-SNVBAGLBSA-N 1 2 249.293 1.169 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1OC ZINC000275047043 386174827 /nfs/dbraw/zinc/17/48/27/386174827.db2.gz ZYIPEPIEYDIMHB-CKYFFXLPSA-N 1 2 237.303 1.389 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425495475 386176074 /nfs/dbraw/zinc/17/60/74/386176074.db2.gz SQQPAUXWCMFFNN-ZCFIWIBFSA-N 1 2 249.286 1.945 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425495475 386176075 /nfs/dbraw/zinc/17/60/75/386176075.db2.gz SQQPAUXWCMFFNN-ZCFIWIBFSA-N 1 2 249.286 1.945 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C)nn1 ZINC000414373378 386177609 /nfs/dbraw/zinc/17/76/09/386177609.db2.gz RULKOQVNYYZKPH-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C)nn1 ZINC000414373378 386177615 /nfs/dbraw/zinc/17/76/15/386177615.db2.gz RULKOQVNYYZKPH-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288228071 386177924 /nfs/dbraw/zinc/17/79/24/386177924.db2.gz VGINBPSQHMEQOQ-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO Cn1nncc1CNc1cc[nH+]c(C2CC2)n1 ZINC000288292146 386183044 /nfs/dbraw/zinc/18/30/44/386183044.db2.gz RWHZSAZHNSGBDK-UHFFFAOYSA-N 1 2 230.275 1.095 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000263864248 386185701 /nfs/dbraw/zinc/18/57/01/386185701.db2.gz IYLMAUMLFAXJOY-VIFPVBQESA-N 1 2 223.276 1.324 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000263864248 386185708 /nfs/dbraw/zinc/18/57/08/386185708.db2.gz IYLMAUMLFAXJOY-VIFPVBQESA-N 1 2 223.276 1.324 20 0 BDADLO CC[C@@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287501502 386129855 /nfs/dbraw/zinc/12/98/55/386129855.db2.gz LMCPAPXILOFKSR-JTQLQIEISA-N 1 2 237.303 1.591 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](C)[C@H]2C)nc(N)[nH+]1 ZINC000310128799 386129931 /nfs/dbraw/zinc/12/99/31/386129931.db2.gz YBHYEIHWXRPNMU-QXFUBDJGSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H](C)[C@H]2C)[nH+]1 ZINC000310128799 386129936 /nfs/dbraw/zinc/12/99/36/386129936.db2.gz YBHYEIHWXRPNMU-QXFUBDJGSA-N 1 2 235.335 1.999 20 0 BDADLO CO[C@@H](C)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287536102 386132303 /nfs/dbraw/zinc/13/23/03/386132303.db2.gz NXFRIQPCCKDNKP-VIFPVBQESA-N 1 2 237.303 1.855 20 0 BDADLO CCONC(=O)Nc1c(C)cc[nH+]c1C ZINC000287667961 386141100 /nfs/dbraw/zinc/14/11/00/386141100.db2.gz XKWVYJMVZQEREF-UHFFFAOYSA-N 1 2 209.249 1.771 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C1CC1)C1COC1 ZINC000296145496 386142013 /nfs/dbraw/zinc/14/20/13/386142013.db2.gz VNUGELNNFNDDAI-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C1CC1)C1COC1 ZINC000296145496 386142018 /nfs/dbraw/zinc/14/20/18/386142018.db2.gz VNUGELNNFNDDAI-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO C[N@H+](Cc1nccs1)[C@@H]1CCCOC1 ZINC000334469813 386142357 /nfs/dbraw/zinc/14/23/57/386142357.db2.gz HNIJXKBLPBIUGP-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[N@@H+](Cc1nccs1)[C@@H]1CCCOC1 ZINC000334469813 386142359 /nfs/dbraw/zinc/14/23/59/386142359.db2.gz HNIJXKBLPBIUGP-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO Cc1nc(C[NH+]2CC(C(C)(C)O)C2)cs1 ZINC000335150044 386143213 /nfs/dbraw/zinc/14/32/13/386143213.db2.gz MSAZYQAKVWDRHV-UHFFFAOYSA-N 1 2 226.345 1.654 20 0 BDADLO CO[C@@H](C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000131479408 386207082 /nfs/dbraw/zinc/20/70/82/386207082.db2.gz HFKHBFQXDSTARF-JTQLQIEISA-N 1 2 239.319 1.190 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000288479495 386207394 /nfs/dbraw/zinc/20/73/94/386207394.db2.gz CFTCPJMXSSYVBF-ZETCQYMHSA-N 1 2 235.209 1.340 20 0 BDADLO CN(CC1(CO)CC1)c1cc[nH+]c(C2CC2)n1 ZINC000275423434 386211491 /nfs/dbraw/zinc/21/14/91/386211491.db2.gz HWNWKOVGSCQIBM-UHFFFAOYSA-N 1 2 233.315 1.563 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)C1CC1 ZINC000289080465 386259875 /nfs/dbraw/zinc/25/98/75/386259875.db2.gz DOHZSGNGUPLLJI-UHFFFAOYSA-N 1 2 221.304 1.771 20 0 BDADLO C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@H]1CCOC1 ZINC000225816079 386220094 /nfs/dbraw/zinc/22/00/94/386220094.db2.gz WWWTVENFCBWBHW-BQBZGAKWSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@H](Nc1[nH+]cnc(N)c1Cl)[C@H]1CCOC1 ZINC000225816079 386220099 /nfs/dbraw/zinc/22/00/99/386220099.db2.gz WWWTVENFCBWBHW-BQBZGAKWSA-N 1 2 242.710 1.549 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)C(F)(F)F)c[nH+]1 ZINC000288619993 386223049 /nfs/dbraw/zinc/22/30/49/386223049.db2.gz OGUDBURREHTPQG-BYPYZUCNSA-N 1 2 221.182 1.399 20 0 BDADLO CC/C=C(\C)C(=O)NCc1[nH+]ccn1C ZINC000264261717 386223947 /nfs/dbraw/zinc/22/39/47/386223947.db2.gz DBYWSVBNWVTBHH-WEVVVXLNSA-N 1 2 207.277 1.393 20 0 BDADLO Cc1nc(C(=O)NC2C[NH+](C(C)C)C2)c(C)o1 ZINC000297189362 386230942 /nfs/dbraw/zinc/23/09/42/386230942.db2.gz VDUCHUSZGLIQPG-UHFFFAOYSA-N 1 2 237.303 1.114 20 0 BDADLO CCCc1nc(C[NH2+][C@H](C)Cn2cccn2)no1 ZINC000264382326 386231613 /nfs/dbraw/zinc/23/16/13/386231613.db2.gz PTBNJGGHCNBSIP-SNVBAGLBSA-N 1 2 249.318 1.397 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCn2cccn2)no1 ZINC000264390789 386232021 /nfs/dbraw/zinc/23/20/21/386232021.db2.gz YZGQHTWZWMWCDG-UHFFFAOYSA-N 1 2 235.291 1.099 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(C)nc1 ZINC000339077638 386238848 /nfs/dbraw/zinc/23/88/48/386238848.db2.gz SIIYYFKVDNJKMK-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(C)nc1 ZINC000339077638 386238851 /nfs/dbraw/zinc/23/88/51/386238851.db2.gz SIIYYFKVDNJKMK-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)CC1(CO)CC1 ZINC000275994092 386260627 /nfs/dbraw/zinc/26/06/27/386260627.db2.gz NWISETFDVBNJIZ-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)CC1(CO)CC1 ZINC000275994092 386260632 /nfs/dbraw/zinc/26/06/32/386260632.db2.gz NWISETFDVBNJIZ-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000336643830 386242661 /nfs/dbraw/zinc/24/26/61/386242661.db2.gz DWAIISNFDTZGAX-UHFFFAOYSA-N 1 2 229.349 1.988 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000336643830 386242667 /nfs/dbraw/zinc/24/26/67/386242667.db2.gz DWAIISNFDTZGAX-UHFFFAOYSA-N 1 2 229.349 1.988 20 0 BDADLO CC1(C)[C@H](Nc2cc[nH+]c3ccncc23)C[C@@H]1O ZINC000408362072 386245428 /nfs/dbraw/zinc/24/54/28/386245428.db2.gz LKOAJAPWKOPOAN-OLZOCXBDSA-N 1 2 243.310 1.623 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(C)CCCC1 ZINC000264538655 386246043 /nfs/dbraw/zinc/24/60/43/386246043.db2.gz PERWPONDNYCZLK-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)OC)c1[nH]cc[nH+]1 ZINC000125325702 386248113 /nfs/dbraw/zinc/24/81/13/386248113.db2.gz NAZGWJMAYNRYCR-YUMQZZPRSA-N 1 2 211.265 1.012 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cncc(C)c1 ZINC000275952148 386255071 /nfs/dbraw/zinc/25/50/71/386255071.db2.gz AGHIGQNYGJCSGV-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cncc(C)c1 ZINC000275952148 386255078 /nfs/dbraw/zinc/25/50/78/386255078.db2.gz AGHIGQNYGJCSGV-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@@H](C)C2)s1 ZINC000336647035 386256657 /nfs/dbraw/zinc/25/66/57/386256657.db2.gz LTQAGLYQRFSXHU-MRVPVSSYSA-N 1 2 227.333 1.779 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@@H](C)C2)s1 ZINC000336647035 386256661 /nfs/dbraw/zinc/25/66/61/386256661.db2.gz LTQAGLYQRFSXHU-MRVPVSSYSA-N 1 2 227.333 1.779 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000414390574 386256689 /nfs/dbraw/zinc/25/66/89/386256689.db2.gz ABUBIVUXLMLZMT-GHMZBOCLSA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000414390574 386256694 /nfs/dbraw/zinc/25/66/94/386256694.db2.gz ABUBIVUXLMLZMT-GHMZBOCLSA-N 1 2 235.331 1.648 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000416078274 386195029 /nfs/dbraw/zinc/19/50/29/386195029.db2.gz SLNLDHZDTPKRLF-GRYCIOLGSA-N 1 2 235.331 1.776 20 0 BDADLO Fc1ccc([C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)cc1 ZINC000296759820 386199028 /nfs/dbraw/zinc/19/90/28/386199028.db2.gz LKKKOEWLNSPJDB-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)cc1 ZINC000296759820 386199033 /nfs/dbraw/zinc/19/90/33/386199033.db2.gz LKKKOEWLNSPJDB-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)cc1 ZINC000296759820 386199039 /nfs/dbraw/zinc/19/90/39/386199039.db2.gz LKKKOEWLNSPJDB-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)cc1 ZINC000296759820 386199041 /nfs/dbraw/zinc/19/90/41/386199041.db2.gz LKKKOEWLNSPJDB-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)cc1 ZINC000296759820 386199047 /nfs/dbraw/zinc/19/90/47/386199047.db2.gz LKKKOEWLNSPJDB-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccc([C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)cc1 ZINC000296759820 386199050 /nfs/dbraw/zinc/19/90/50/386199050.db2.gz LKKKOEWLNSPJDB-LLVKDONJSA-N 1 2 246.289 1.933 20 0 BDADLO CO[C@@H]1CCC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000340583544 386280938 /nfs/dbraw/zinc/28/09/38/386280938.db2.gz HNJGMJYCILAMBR-GXSJLCMTSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@@H]1CCC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000340583544 386280943 /nfs/dbraw/zinc/28/09/43/386280943.db2.gz HNJGMJYCILAMBR-GXSJLCMTSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000340583478 386282547 /nfs/dbraw/zinc/28/25/47/386282547.db2.gz DPMKLEHHDZTPJE-WDEREUQCSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000340583478 386282551 /nfs/dbraw/zinc/28/25/51/386282551.db2.gz DPMKLEHHDZTPJE-WDEREUQCSA-N 1 2 237.303 1.231 20 0 BDADLO Cc1ccsc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000336664870 386286600 /nfs/dbraw/zinc/28/66/00/386286600.db2.gz IADRWWOPTXMOTA-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccsc1C[N@H+](C)Cc1cn(C)nn1 ZINC000336664870 386286605 /nfs/dbraw/zinc/28/66/05/386286605.db2.gz IADRWWOPTXMOTA-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CC[C@@H](C)CN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000340587534 386287201 /nfs/dbraw/zinc/28/72/01/386287201.db2.gz VHHXBJRUSNYMJH-SECBINFHSA-N 1 2 237.351 1.728 20 0 BDADLO CC[C@@H](C)CN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000340587534 386287209 /nfs/dbraw/zinc/28/72/09/386287209.db2.gz VHHXBJRUSNYMJH-SECBINFHSA-N 1 2 237.351 1.728 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)nn1 ZINC000414396697 386288518 /nfs/dbraw/zinc/28/85/18/386288518.db2.gz PNSMLDOOVJZMKD-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)nn1 ZINC000414396697 386288520 /nfs/dbraw/zinc/28/85/20/386288520.db2.gz PNSMLDOOVJZMKD-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C2CC2)no1 ZINC000336665123 386288672 /nfs/dbraw/zinc/28/86/72/386288672.db2.gz FKRRBSMVOCKDPN-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C2CC2)no1 ZINC000336665123 386288676 /nfs/dbraw/zinc/28/86/76/386288676.db2.gz FKRRBSMVOCKDPN-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO Cn1ncc(C[NH2+]C2(c3cccc(F)c3)CC2)n1 ZINC000289526999 386324493 /nfs/dbraw/zinc/32/44/93/386324493.db2.gz MYEZGUUWSBKQGV-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO CCSCC[NH+]1CC(OCC(F)F)C1 ZINC000336668522 386293211 /nfs/dbraw/zinc/29/32/11/386293211.db2.gz BHTBJJYMBAAPIO-UHFFFAOYSA-N 1 2 225.304 1.705 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000276281480 386295438 /nfs/dbraw/zinc/29/54/38/386295438.db2.gz IKJLJSAGUPUTSA-JGVFFNPUSA-N 1 2 235.291 1.199 20 0 BDADLO C[N@H+](Cc1ccc(F)cn1)Cc1cnccn1 ZINC000276295800 386298846 /nfs/dbraw/zinc/29/88/46/386298846.db2.gz WLRDTIIAQGQCNV-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO C[N@@H+](Cc1ccc(F)cn1)Cc1cnccn1 ZINC000276295800 386298850 /nfs/dbraw/zinc/29/88/50/386298850.db2.gz WLRDTIIAQGQCNV-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO Cc1occc1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000335265525 386301051 /nfs/dbraw/zinc/30/10/51/386301051.db2.gz QFQAHPDVHFSWLE-NXEZZACHSA-N 1 2 241.356 1.929 20 0 BDADLO C[C@@H]1C(=O)N(C)CN1c1cc[nH+]cc1Cl ZINC000645395714 386305694 /nfs/dbraw/zinc/30/56/94/386305694.db2.gz UCVDOPGOFPIWSV-SSDOTTSWSA-N 1 2 225.679 1.359 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335266858 386306008 /nfs/dbraw/zinc/30/60/08/386306008.db2.gz YBEHMMQJBRHXGL-MGPLVRAMSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335266858 386306014 /nfs/dbraw/zinc/30/60/14/386306014.db2.gz YBEHMMQJBRHXGL-MGPLVRAMSA-N 1 2 241.356 1.788 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cnn(C)n1 ZINC000289443252 386307592 /nfs/dbraw/zinc/30/75/92/386307592.db2.gz ZELJAYMQENPCRS-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cnn(C)n1 ZINC000289443252 386307595 /nfs/dbraw/zinc/30/75/95/386307595.db2.gz ZELJAYMQENPCRS-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cn[nH]c2C)[C@@H]1C ZINC000347261307 386307772 /nfs/dbraw/zinc/30/77/72/386307772.db2.gz LVJHEYIXZSEERX-MWLCHTKSSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)[C@@H]1C ZINC000347261307 386307776 /nfs/dbraw/zinc/30/77/76/386307776.db2.gz LVJHEYIXZSEERX-MWLCHTKSSA-N 1 2 237.303 1.102 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000339219211 386307797 /nfs/dbraw/zinc/30/77/97/386307797.db2.gz IORFUDZHIZRGGP-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000339219211 386307804 /nfs/dbraw/zinc/30/78/04/386307804.db2.gz IORFUDZHIZRGGP-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289457242 386309457 /nfs/dbraw/zinc/30/94/57/386309457.db2.gz XWFMEYHTCGGPJL-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289457242 386309462 /nfs/dbraw/zinc/30/94/62/386309462.db2.gz XWFMEYHTCGGPJL-GFCCVEGCSA-N 1 2 234.299 1.434 20 0 BDADLO CSCC[N@H+](C)Cc1ncc(C)cn1 ZINC000336669546 386311780 /nfs/dbraw/zinc/31/17/80/386311780.db2.gz FOTGFHWMXGAPLI-UHFFFAOYSA-N 1 2 211.334 1.580 20 0 BDADLO CSCC[N@@H+](C)Cc1ncc(C)cn1 ZINC000336669546 386311784 /nfs/dbraw/zinc/31/17/84/386311784.db2.gz FOTGFHWMXGAPLI-UHFFFAOYSA-N 1 2 211.334 1.580 20 0 BDADLO CC[C@@H](C(=O)NC(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339235838 386311938 /nfs/dbraw/zinc/31/19/38/386311938.db2.gz SAPBUDXECIGVBF-RYUDHWBXSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C(=O)NC(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339235838 386311945 /nfs/dbraw/zinc/31/19/45/386311945.db2.gz SAPBUDXECIGVBF-RYUDHWBXSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1cc(C[NH+]2CCSCC2)nn1C ZINC000336669442 386313679 /nfs/dbraw/zinc/31/36/79/386313679.db2.gz DJAPSOMVBTZVLF-UHFFFAOYSA-N 1 2 211.334 1.277 20 0 BDADLO CCCCOCC(=O)Nc1ccc(N)[nH+]c1 ZINC000236824014 386318312 /nfs/dbraw/zinc/31/83/12/386318312.db2.gz NTTJAIVKWMYLBS-UHFFFAOYSA-N 1 2 223.276 1.419 20 0 BDADLO CCc1ccc(CC[N@@H+]2CCNC(=O)C2)cc1 ZINC000265210655 386318256 /nfs/dbraw/zinc/31/82/56/386318256.db2.gz MCQAMFOHHMNJDV-UHFFFAOYSA-N 1 2 232.327 1.223 20 0 BDADLO CCc1ccc(CC[N@H+]2CCNC(=O)C2)cc1 ZINC000265210655 386318261 /nfs/dbraw/zinc/31/82/61/386318261.db2.gz MCQAMFOHHMNJDV-UHFFFAOYSA-N 1 2 232.327 1.223 20 0 BDADLO CCC(=O)N1CC[N@H+](CCc2cccnc2)C1 ZINC000425522548 386325226 /nfs/dbraw/zinc/32/52/26/386325226.db2.gz WTKJVLRKRHXXFL-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCc2cccnc2)C1 ZINC000425522548 386325234 /nfs/dbraw/zinc/32/52/34/386325234.db2.gz WTKJVLRKRHXXFL-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000264675817 386261780 /nfs/dbraw/zinc/26/17/80/386261780.db2.gz ARTLOAVTLIHVIT-UHFFFAOYSA-N 1 2 238.306 1.594 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cnn(C)c2C)c[nH+]1 ZINC000264697754 386263745 /nfs/dbraw/zinc/26/37/45/386263745.db2.gz BEGUXEHZTDATGW-ZETCQYMHSA-N 1 2 247.302 1.251 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc2c(c1)CCO2 ZINC000264755277 386267763 /nfs/dbraw/zinc/26/77/63/386267763.db2.gz XTYBRLWXOVUXGI-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc2c(c1)CCO2 ZINC000264755277 386267766 /nfs/dbraw/zinc/26/77/66/386267766.db2.gz XTYBRLWXOVUXGI-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CC(C)(CF)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334490611 386340360 /nfs/dbraw/zinc/34/03/60/386340360.db2.gz MYIPUKKRXHPJCW-VIFPVBQESA-N 1 2 239.294 1.310 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccn(C)c1 ZINC000335277219 386340440 /nfs/dbraw/zinc/34/04/40/386340440.db2.gz LPSQVIUWOHXFQX-UHFFFAOYSA-N 1 2 231.255 1.681 20 0 BDADLO CC[N@H+](CCOC)Cc1nc([C@@H](C)OC)no1 ZINC000336685289 386356933 /nfs/dbraw/zinc/35/69/33/386356933.db2.gz FMZXFKXLVKDVGR-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc([C@@H](C)OC)no1 ZINC000336685289 386356937 /nfs/dbraw/zinc/35/69/37/386356937.db2.gz FMZXFKXLVKDVGR-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CCC(O)(CC)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000276705018 386364760 /nfs/dbraw/zinc/36/47/60/386364760.db2.gz UVQQPACHDJGMEW-UHFFFAOYSA-N 1 2 239.319 1.389 20 0 BDADLO CCO[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265749352 386366014 /nfs/dbraw/zinc/36/60/14/386366014.db2.gz IWLQMFVRSTYJSH-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000276708133 386367871 /nfs/dbraw/zinc/36/78/71/386367871.db2.gz QWRZZJLJLAKJFN-VIFPVBQESA-N 1 2 221.304 1.267 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347372800 386370574 /nfs/dbraw/zinc/37/05/74/386370574.db2.gz KIELIBPFECPLKG-JQWIXIFHSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347372800 386370577 /nfs/dbraw/zinc/37/05/77/386370577.db2.gz KIELIBPFECPLKG-JQWIXIFHSA-N 1 2 230.327 1.581 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)nn1C ZINC000336695086 386370808 /nfs/dbraw/zinc/37/08/08/386370808.db2.gz FREWAKCARXIODV-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)nn1C ZINC000336695086 386370813 /nfs/dbraw/zinc/37/08/13/386370813.db2.gz FREWAKCARXIODV-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347372806 386371335 /nfs/dbraw/zinc/37/13/35/386371335.db2.gz KIELIBPFECPLKG-ZYHUDNBSSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347372806 386371346 /nfs/dbraw/zinc/37/13/46/386371346.db2.gz KIELIBPFECPLKG-ZYHUDNBSSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnns2)CCCO1 ZINC000336695417 386373418 /nfs/dbraw/zinc/37/34/18/386373418.db2.gz NWBZXOQVURWWTP-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnns2)CCCO1 ZINC000336695417 386373424 /nfs/dbraw/zinc/37/34/24/386373424.db2.gz NWBZXOQVURWWTP-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO c1ccc([C@@H]2C[N@H+](CC3OCCO3)CCO2)cc1 ZINC000265882654 386382204 /nfs/dbraw/zinc/38/22/04/386382204.db2.gz VDJGJHWYAJKIOM-ZDUSSCGKSA-N 1 2 249.310 1.433 20 0 BDADLO c1ccc([C@@H]2C[N@@H+](CC3OCCO3)CCO2)cc1 ZINC000265882654 386382207 /nfs/dbraw/zinc/38/22/07/386382207.db2.gz VDJGJHWYAJKIOM-ZDUSSCGKSA-N 1 2 249.310 1.433 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)cc(C)c1O ZINC000290023413 386385239 /nfs/dbraw/zinc/38/52/39/386385239.db2.gz MUSKICIPDGQHCR-UHFFFAOYSA-N 1 2 248.326 1.283 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)cc(C)c1O ZINC000290023413 386385243 /nfs/dbraw/zinc/38/52/43/386385243.db2.gz MUSKICIPDGQHCR-UHFFFAOYSA-N 1 2 248.326 1.283 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347330161 386327124 /nfs/dbraw/zinc/32/71/24/386327124.db2.gz FFSYFJQPGVEQCK-NXEZZACHSA-N 1 2 207.264 1.531 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347330161 386327129 /nfs/dbraw/zinc/32/71/29/386327129.db2.gz FFSYFJQPGVEQCK-NXEZZACHSA-N 1 2 207.264 1.531 20 0 BDADLO C[C@@]1([NH2+]CC[C@H](O)c2ccccc2)CCOC1=O ZINC000298363202 386329794 /nfs/dbraw/zinc/32/97/94/386329794.db2.gz NEUFQTXOEOTIDN-GXTWGEPZSA-N 1 2 249.310 1.405 20 0 BDADLO CNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000334483869 386330356 /nfs/dbraw/zinc/33/03/56/386330356.db2.gz YVQPLAIAXKLSCA-SECBINFHSA-N 1 2 247.298 1.019 20 0 BDADLO CNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000334483869 386330362 /nfs/dbraw/zinc/33/03/62/386330362.db2.gz YVQPLAIAXKLSCA-SECBINFHSA-N 1 2 247.298 1.019 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCCC1 ZINC000276472413 386330961 /nfs/dbraw/zinc/33/09/61/386330961.db2.gz CWGMHIFBYYQMFH-AATRIKPKSA-N 1 2 219.288 1.826 20 0 BDADLO CS[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276494546 386332809 /nfs/dbraw/zinc/33/28/09/386332809.db2.gz BDXKVZLDPXJCNU-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO CS[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276494546 386332814 /nfs/dbraw/zinc/33/28/14/386332814.db2.gz BDXKVZLDPXJCNU-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347339034 386336026 /nfs/dbraw/zinc/33/60/26/386336026.db2.gz DITIADHGPPTJNP-CYBMUJFWSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347339034 386336035 /nfs/dbraw/zinc/33/60/35/386336035.db2.gz DITIADHGPPTJNP-CYBMUJFWSA-N 1 2 244.354 1.973 20 0 BDADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000276512997 386338329 /nfs/dbraw/zinc/33/83/29/386338329.db2.gz JGOBKTINPLGZCV-UFFNRZRYSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC=CCC1 ZINC000265443104 386339395 /nfs/dbraw/zinc/33/93/95/386339395.db2.gz LBTCRFYFIHTVNP-NSHDSACASA-N 1 2 219.288 1.498 20 0 BDADLO CC(C)C(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000527364323 386438232 /nfs/dbraw/zinc/43/82/32/386438232.db2.gz QOUZQXTYZJRRLD-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnoc2C)s1 ZINC000336777833 386438405 /nfs/dbraw/zinc/43/84/05/386438405.db2.gz JQTMKPWKZYYVDL-ZCFIWIBFSA-N 1 2 238.316 1.994 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ncc(C)o1 ZINC000266505756 386442382 /nfs/dbraw/zinc/44/23/82/386442382.db2.gz BSBMEUUALPOEBA-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ncc(C)o1 ZINC000266505756 386442388 /nfs/dbraw/zinc/44/23/88/386442388.db2.gz BSBMEUUALPOEBA-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1OCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277559225 386447750 /nfs/dbraw/zinc/44/77/50/386447750.db2.gz VMHNDSOLCHBCOG-VHSXEESVSA-N 1 2 237.303 1.231 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000298796072 386388036 /nfs/dbraw/zinc/38/80/36/386388036.db2.gz ZFRRUPNBGLABKT-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000298796072 386388042 /nfs/dbraw/zinc/38/80/42/386388042.db2.gz ZFRRUPNBGLABKT-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO COCc1nc(C[N@H+](C)CCCO)cs1 ZINC000336694721 386390814 /nfs/dbraw/zinc/39/08/14/386390814.db2.gz HFDRROHOGSQYKM-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO COCc1nc(C[N@@H+](C)CCCO)cs1 ZINC000336694721 386390816 /nfs/dbraw/zinc/39/08/16/386390816.db2.gz HFDRROHOGSQYKM-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2COCCO2)cs1 ZINC000336702384 386408776 /nfs/dbraw/zinc/40/87/76/386408776.db2.gz NMVHHDAYZYSDNI-NSHDSACASA-N 1 2 242.344 1.299 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2COCCO2)cs1 ZINC000336702384 386408780 /nfs/dbraw/zinc/40/87/80/386408780.db2.gz NMVHHDAYZYSDNI-NSHDSACASA-N 1 2 242.344 1.299 20 0 BDADLO c1cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)[nH]n1 ZINC000290313684 386419810 /nfs/dbraw/zinc/41/98/10/386419810.db2.gz CIDMHWXGZUTPLM-BFHYXJOUSA-N 1 2 225.295 1.838 20 0 BDADLO CNc1nc(NCCCO)[nH+]c2ccccc21 ZINC000041146860 386451953 /nfs/dbraw/zinc/45/19/53/386451953.db2.gz HUZUNKUCAXQRGP-UHFFFAOYSA-N 1 2 232.287 1.466 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000290345127 386421350 /nfs/dbraw/zinc/42/13/50/386421350.db2.gz FAAJDKTWUNYABH-VXGBXAGGSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000290345127 386421353 /nfs/dbraw/zinc/42/13/53/386421353.db2.gz FAAJDKTWUNYABH-VXGBXAGGSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000290345127 386421357 /nfs/dbraw/zinc/42/13/57/386421357.db2.gz FAAJDKTWUNYABH-VXGBXAGGSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000290345127 386421360 /nfs/dbraw/zinc/42/13/60/386421360.db2.gz FAAJDKTWUNYABH-VXGBXAGGSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)o1 ZINC000277301628 386425115 /nfs/dbraw/zinc/42/51/15/386425115.db2.gz AWOQTMDNXXLAMI-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)o1 ZINC000277301628 386425124 /nfs/dbraw/zinc/42/51/24/386425124.db2.gz AWOQTMDNXXLAMI-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)o1 ZINC000277301630 386425971 /nfs/dbraw/zinc/42/59/71/386425971.db2.gz AWOQTMDNXXLAMI-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)o1 ZINC000277301630 386425978 /nfs/dbraw/zinc/42/59/78/386425978.db2.gz AWOQTMDNXXLAMI-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000290382634 386426568 /nfs/dbraw/zinc/42/65/68/386426568.db2.gz IRDZFIJBKIQTHB-UWVGGRQHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000290382634 386426571 /nfs/dbraw/zinc/42/65/71/386426571.db2.gz IRDZFIJBKIQTHB-UWVGGRQHSA-N 1 2 209.293 1.327 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000336279902 386427016 /nfs/dbraw/zinc/42/70/16/386427016.db2.gz JAHOMZJDXJFSGS-NSHDSACASA-N 1 2 210.252 1.252 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000336279902 386427020 /nfs/dbraw/zinc/42/70/20/386427020.db2.gz JAHOMZJDXJFSGS-NSHDSACASA-N 1 2 210.252 1.252 20 0 BDADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cnnn1C ZINC000290405893 386430004 /nfs/dbraw/zinc/43/00/04/386430004.db2.gz JRAVJSBIVHLESQ-CYBMUJFWSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cnnn1C ZINC000290405893 386430014 /nfs/dbraw/zinc/43/00/14/386430014.db2.gz JRAVJSBIVHLESQ-CYBMUJFWSA-N 1 2 245.330 1.793 20 0 BDADLO C[N@H+](Cc1ccco1)[C@@H]1CCN(C2CC2)C1=O ZINC000336713670 386430175 /nfs/dbraw/zinc/43/01/75/386430175.db2.gz SSSFWYCAIYTXNN-GFCCVEGCSA-N 1 2 234.299 1.475 20 0 BDADLO C[N@@H+](Cc1ccco1)[C@@H]1CCN(C2CC2)C1=O ZINC000336713670 386430179 /nfs/dbraw/zinc/43/01/79/386430179.db2.gz SSSFWYCAIYTXNN-GFCCVEGCSA-N 1 2 234.299 1.475 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000336713163 386430282 /nfs/dbraw/zinc/43/02/82/386430282.db2.gz OYORVWYTSRGPDK-CYBMUJFWSA-N 1 2 242.326 1.632 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000336713163 386430286 /nfs/dbraw/zinc/43/02/86/386430286.db2.gz OYORVWYTSRGPDK-CYBMUJFWSA-N 1 2 242.326 1.632 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1conc1C1CC1 ZINC000290407910 386430487 /nfs/dbraw/zinc/43/04/87/386430487.db2.gz ILESYIPIKDEHAU-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CO[C@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299626507 386474961 /nfs/dbraw/zinc/47/49/61/386474961.db2.gz FUFOFRRXCGLGPV-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C2CC2)C1 ZINC000290781471 386476041 /nfs/dbraw/zinc/47/60/41/386476041.db2.gz CYCCQKPIRZLXNQ-CYBMUJFWSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3[nH]ncc3C)C2)c1 ZINC000290789191 386476231 /nfs/dbraw/zinc/47/62/31/386476231.db2.gz DLHZWXUGSYAPBT-GFCCVEGCSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3[nH]ncc3C)C2)c1 ZINC000290789191 386476239 /nfs/dbraw/zinc/47/62/39/386476239.db2.gz DLHZWXUGSYAPBT-GFCCVEGCSA-N 1 2 245.330 1.670 20 0 BDADLO CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC000299663759 386477190 /nfs/dbraw/zinc/47/71/90/386477190.db2.gz NNBFKZYUTSMZCM-UHFFFAOYSA-N 1 2 209.293 1.530 20 0 BDADLO O=C(c1cccs1)N1CCn2c[nH+]cc2C1 ZINC000290871855 386483069 /nfs/dbraw/zinc/48/30/69/386483069.db2.gz CPQSZJLYSXJKPW-UHFFFAOYSA-N 1 2 233.296 1.601 20 0 BDADLO CS[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266955713 386483204 /nfs/dbraw/zinc/48/32/04/386483204.db2.gz GNSKLXBOVXUSOG-ZETCQYMHSA-N 1 2 213.306 1.086 20 0 BDADLO COc1ncncc1C[NH+]1CC2(C1)CCOCC2 ZINC000648042674 386484386 /nfs/dbraw/zinc/48/43/86/386484386.db2.gz MVMBHECOBYBYPB-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO O=C(c1cccnc1F)N1CCn2c[nH+]cc2C1 ZINC000290863676 386484401 /nfs/dbraw/zinc/48/44/01/386484401.db2.gz ALUXSURZSXVDEH-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccn1 ZINC000339585138 386487975 /nfs/dbraw/zinc/48/79/75/386487975.db2.gz OYIQOTZTBDFMSH-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C)C2)ccn1 ZINC000339585138 386487977 /nfs/dbraw/zinc/48/79/77/386487977.db2.gz OYIQOTZTBDFMSH-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000339585007 386489573 /nfs/dbraw/zinc/48/95/73/386489573.db2.gz RKGPJEMOQGRUQX-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000339585007 386489576 /nfs/dbraw/zinc/48/95/76/386489576.db2.gz RKGPJEMOQGRUQX-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO CC[C@H](SC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290957998 386491759 /nfs/dbraw/zinc/49/17/59/386491759.db2.gz RCNOZSBSTIRBCF-JTQLQIEISA-N 1 2 239.344 1.367 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCOC[C@H]1C ZINC000278453798 386529391 /nfs/dbraw/zinc/52/93/91/386529391.db2.gz NOIPYKGTBKYZBY-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCOC[C@H]1C ZINC000278453798 386529398 /nfs/dbraw/zinc/52/93/98/386529398.db2.gz NOIPYKGTBKYZBY-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO O=C(C=C1CCC1)N1CCn2c[nH+]cc2C1 ZINC000290977765 386494414 /nfs/dbraw/zinc/49/44/14/386494414.db2.gz UZOGJWJNTXQSAA-UHFFFAOYSA-N 1 2 217.272 1.336 20 0 BDADLO c1coc(CN2CCn3c[nH+]cc3C2)c1 ZINC000290999141 386496118 /nfs/dbraw/zinc/49/61/18/386496118.db2.gz AQSHICPKCRZXCX-UHFFFAOYSA-N 1 2 203.245 1.492 20 0 BDADLO CCCc1nc(C[N@H+](CC)[C@@H](C)CO)no1 ZINC000339630501 386499314 /nfs/dbraw/zinc/49/93/14/386499314.db2.gz PQOQEFFQNZRGKJ-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](CC)[C@@H](C)CO)no1 ZINC000339630501 386499319 /nfs/dbraw/zinc/49/93/19/386499319.db2.gz PQOQEFFQNZRGKJ-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO C=Cn1cc(C[N@H+]2CCN(C(C)=O)C[C@H]2C)cn1 ZINC000278214732 386501115 /nfs/dbraw/zinc/50/11/15/386501115.db2.gz KSVDZQNYJRXTPT-LLVKDONJSA-N 1 2 248.330 1.036 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)cn1 ZINC000278214732 386501117 /nfs/dbraw/zinc/50/11/17/386501117.db2.gz KSVDZQNYJRXTPT-LLVKDONJSA-N 1 2 248.330 1.036 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](F)C1 ZINC000519606200 386502425 /nfs/dbraw/zinc/50/24/25/386502425.db2.gz OOICKHOOZZBMMQ-SECBINFHSA-N 1 2 240.282 1.064 20 0 BDADLO Cn1ncc2c1nc(NCC1(C)CCC1)[nH+]c2N ZINC000278287941 386507678 /nfs/dbraw/zinc/50/76/78/386507678.db2.gz FWSBAVSZQXLYTQ-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000135492809 386515867 /nfs/dbraw/zinc/51/58/67/386515867.db2.gz MLJFHXXKEWTVBS-LDYMZIIASA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000519645647 386522680 /nfs/dbraw/zinc/52/26/80/386522680.db2.gz JVGIBHPHGONUFJ-UTLUCORTSA-N 1 2 221.304 1.598 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000519645647 386522691 /nfs/dbraw/zinc/52/26/91/386522691.db2.gz JVGIBHPHGONUFJ-UTLUCORTSA-N 1 2 221.304 1.598 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(C2CCCCC2)C1 ZINC000519458335 386457926 /nfs/dbraw/zinc/45/79/26/386457926.db2.gz BYJOEDKZMWOTAI-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO COc1nc(C)ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000347582151 386460418 /nfs/dbraw/zinc/46/04/18/386460418.db2.gz SQJCHTHKEGSFNJ-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1nc(C)ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000347582151 386460424 /nfs/dbraw/zinc/46/04/24/386460424.db2.gz SQJCHTHKEGSFNJ-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000290656406 386465246 /nfs/dbraw/zinc/46/52/46/386465246.db2.gz ZKAVXIXJHDEOHD-GFCCVEGCSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000290656406 386465253 /nfs/dbraw/zinc/46/52/53/386465253.db2.gz ZKAVXIXJHDEOHD-GFCCVEGCSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](CO)CC(C)C ZINC000290656410 386465705 /nfs/dbraw/zinc/46/57/05/386465705.db2.gz ZKAVXIXJHDEOHD-LBPRGKRZSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000290656410 386465713 /nfs/dbraw/zinc/46/57/13/386465713.db2.gz ZKAVXIXJHDEOHD-LBPRGKRZSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277777356 386465787 /nfs/dbraw/zinc/46/57/87/386465787.db2.gz WMECHQFTRFODCK-JDNHERCYSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277777356 386465793 /nfs/dbraw/zinc/46/57/93/386465793.db2.gz WMECHQFTRFODCK-JDNHERCYSA-N 1 2 241.360 1.061 20 0 BDADLO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC(F)(F)CN ZINC000414921707 386585117 /nfs/dbraw/zinc/58/51/17/386585117.db2.gz BKZKKONVSBHGCS-VIFPVBQESA-N 1 2 246.276 1.940 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC(C)C ZINC000278800150 386586392 /nfs/dbraw/zinc/58/63/92/386586392.db2.gz ZGZNZTVSNOUKST-UHFFFAOYSA-N 1 2 209.293 1.423 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCC(C)C ZINC000278800150 386586396 /nfs/dbraw/zinc/58/63/96/386586396.db2.gz ZGZNZTVSNOUKST-UHFFFAOYSA-N 1 2 209.293 1.423 20 0 BDADLO CCn1ccc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000335417740 386587384 /nfs/dbraw/zinc/58/73/84/386587384.db2.gz MPUVZRHIMUQYAH-UHFFFAOYSA-N 1 2 230.271 1.281 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000291849903 386591476 /nfs/dbraw/zinc/59/14/76/386591476.db2.gz OZOVWJSBUAMBIG-NSHDSACASA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000291849903 386591480 /nfs/dbraw/zinc/59/14/80/386591480.db2.gz OZOVWJSBUAMBIG-NSHDSACASA-N 1 2 232.287 1.627 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C)CCC1 ZINC000267350880 386533779 /nfs/dbraw/zinc/53/37/79/386533779.db2.gz LWACIIQRZHMOHG-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO C[N@H+](CCO)Cc1ccnc(Cl)c1Cl ZINC000278865517 386596684 /nfs/dbraw/zinc/59/66/84/386596684.db2.gz FXLRGRATUWFPCU-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@@H+](CCO)Cc1ccnc(Cl)c1Cl ZINC000278865517 386596690 /nfs/dbraw/zinc/59/66/90/386596690.db2.gz FXLRGRATUWFPCU-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO CCOc1ccc(C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000291409962 386542186 /nfs/dbraw/zinc/54/21/86/386542186.db2.gz GHQYIIHFMXSSKZ-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO Cn1ccc(C[NH+]2CC(O)(c3ccccc3)C2)c1 ZINC000291457838 386548915 /nfs/dbraw/zinc/54/89/15/386548915.db2.gz CXXSOSDBOVLGKC-UHFFFAOYSA-N 1 2 242.322 1.729 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC2(CCC2)O1 ZINC000335465041 386551254 /nfs/dbraw/zinc/55/12/54/386551254.db2.gz ROHFOWMXERTNOD-SNVBAGLBSA-N 1 2 221.304 1.553 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC2(CCC2)O1 ZINC000335465041 386551258 /nfs/dbraw/zinc/55/12/58/386551258.db2.gz ROHFOWMXERTNOD-SNVBAGLBSA-N 1 2 221.304 1.553 20 0 BDADLO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CC(N)=O ZINC000332056570 386556011 /nfs/dbraw/zinc/55/60/11/386556011.db2.gz XKRUYPVIFYIZCK-SNVBAGLBSA-N 1 2 241.335 1.245 20 0 BDADLO C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CC(N)=O ZINC000332056570 386556013 /nfs/dbraw/zinc/55/60/13/386556013.db2.gz XKRUYPVIFYIZCK-SNVBAGLBSA-N 1 2 241.335 1.245 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1=CCCC1 ZINC000335402828 386557738 /nfs/dbraw/zinc/55/77/38/386557738.db2.gz PLFLIRIQIIORLC-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO Cc1cccnc1C(=O)Nc1cc[nH+]cc1C ZINC000335403885 386561695 /nfs/dbraw/zinc/56/16/95/386561695.db2.gz AZHNLHCOEMAZFB-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cccnc2)C1 ZINC000267628594 386562183 /nfs/dbraw/zinc/56/21/83/386562183.db2.gz GDSNTMJGGCPLSP-LBPRGKRZSA-N 1 2 238.262 1.169 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cccnc2)C1 ZINC000267628594 386562184 /nfs/dbraw/zinc/56/21/84/386562184.db2.gz GDSNTMJGGCPLSP-LBPRGKRZSA-N 1 2 238.262 1.169 20 0 BDADLO Cc1ncc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)[nH]1 ZINC000278668466 386565155 /nfs/dbraw/zinc/56/51/55/386565155.db2.gz PRXOTPHKBYGARC-SNVBAGLBSA-N 1 2 247.302 1.568 20 0 BDADLO c1csc(CN2CCn3c[nH+]cc3C2)c1 ZINC000291675586 386567114 /nfs/dbraw/zinc/56/71/14/386567114.db2.gz WTYXFPZHLLBFFS-UHFFFAOYSA-N 1 2 219.313 1.960 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C(F)(F)F ZINC000291728935 386573849 /nfs/dbraw/zinc/57/38/49/386573849.db2.gz JIOFWSBTYGMJCF-ZCFIWIBFSA-N 1 2 235.209 1.328 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)C(F)(F)F ZINC000291728935 386573855 /nfs/dbraw/zinc/57/38/55/386573855.db2.gz JIOFWSBTYGMJCF-ZCFIWIBFSA-N 1 2 235.209 1.328 20 0 BDADLO Cn1c[nH+]cc1COc1ccc(OCCO)cc1 ZINC000268082477 386620112 /nfs/dbraw/zinc/62/01/12/386620112.db2.gz PSKDOXXSRCSRPL-UHFFFAOYSA-N 1 2 248.282 1.370 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)ccn1 ZINC000279070005 386626942 /nfs/dbraw/zinc/62/69/42/386626942.db2.gz SYQCHTNPNASPOU-UHFFFAOYSA-N 1 2 230.271 1.017 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](C)OC ZINC000190744435 386632086 /nfs/dbraw/zinc/63/20/86/386632086.db2.gz JFHLLQHKFWEAAR-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H](CCO)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000279102840 386634328 /nfs/dbraw/zinc/63/43/28/386634328.db2.gz VKNZZWUVJFXRGG-ZYHUDNBSSA-N 1 2 246.314 1.255 20 0 BDADLO COC[C@H](Nc1cc[nH+]c(C)n1)[C@@H]1CCCO1 ZINC000279114972 386634733 /nfs/dbraw/zinc/63/47/33/386634733.db2.gz PNWWVYGVNUQCSF-QWRGUYRKSA-N 1 2 237.303 1.391 20 0 BDADLO CCc1cnc(C[N@@H+](CC)[C@H]2CCOC2)o1 ZINC000520301410 386647029 /nfs/dbraw/zinc/64/70/29/386647029.db2.gz HIOYTHAGMBNRHM-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+](CC)[C@H]2CCOC2)o1 ZINC000520301410 386647034 /nfs/dbraw/zinc/64/70/34/386647034.db2.gz HIOYTHAGMBNRHM-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C(=O)OC ZINC000336759162 386653252 /nfs/dbraw/zinc/65/32/52/386653252.db2.gz ITEKKVVAETWFIK-VWYCJHECSA-N 1 2 229.320 1.199 20 0 BDADLO CN(C)c1ccc(CNC(=O)C=C2CCC2)c[nH+]1 ZINC000267931876 386599743 /nfs/dbraw/zinc/59/97/43/386599743.db2.gz FGRKIHJBMJLXPI-UHFFFAOYSA-N 1 2 245.326 1.874 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](C2CCCC2)C1 ZINC000643359476 386600027 /nfs/dbraw/zinc/60/00/27/386600027.db2.gz AHAKVUNZSJNAME-CYBMUJFWSA-N 1 2 247.342 1.922 20 0 BDADLO c1cn(C2CCN(c3nncs3)CC2)c[nH+]1 ZINC000267941292 386602028 /nfs/dbraw/zinc/60/20/28/386602028.db2.gz OANGCSQGULQLAJ-UHFFFAOYSA-N 1 2 235.316 1.576 20 0 BDADLO CC(C)(C)C[C@@H](O)CC(=O)NCc1[nH]cc[nH+]1 ZINC000291945535 386602880 /nfs/dbraw/zinc/60/28/80/386602880.db2.gz NSZFJTWQHZXLDF-VIFPVBQESA-N 1 2 239.319 1.213 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NOC/C=C/Cl ZINC000291964893 386606121 /nfs/dbraw/zinc/60/61/21/386606121.db2.gz XRISKOHUGXPZBG-DAFODLJHSA-N 1 2 229.667 1.143 20 0 BDADLO Cn1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000328670246 386607914 /nfs/dbraw/zinc/60/79/14/386607914.db2.gz MNVVJKOPLYKELT-LLVKDONJSA-N 1 2 246.318 1.265 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335491004 386609282 /nfs/dbraw/zinc/60/92/82/386609282.db2.gz IRBWEAZMXCEILJ-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1ccc(NC(=O)NC[C@H](O)C2CC2)c(C)[nH+]1 ZINC000268047189 386612529 /nfs/dbraw/zinc/61/25/29/386612529.db2.gz XQHNARHXRBQOKL-LBPRGKRZSA-N 1 2 249.314 1.591 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nc(C(F)F)no1 ZINC000644925913 386618115 /nfs/dbraw/zinc/61/81/15/386618115.db2.gz NQGGISYRFNZRRE-UHFFFAOYSA-N 1 2 249.261 1.864 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000644925913 386618118 /nfs/dbraw/zinc/61/81/18/386618118.db2.gz NQGGISYRFNZRRE-UHFFFAOYSA-N 1 2 249.261 1.864 20 0 BDADLO CC(C)c1cc(C(=O)NCCc2[nH]cc[nH+]2)no1 ZINC000179214735 386618640 /nfs/dbraw/zinc/61/86/40/386618640.db2.gz AXICMFKYLQGTIC-UHFFFAOYSA-N 1 2 248.286 1.494 20 0 BDADLO CCOC[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301494308 386659618 /nfs/dbraw/zinc/65/96/18/386659618.db2.gz RQHMRGCBPUTYTO-LLVKDONJSA-N 1 2 206.289 1.944 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000337210280 386669615 /nfs/dbraw/zinc/66/96/15/386669615.db2.gz TVXZPTCGBFMNMD-PWSUYJOCSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1nccc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000337210280 386669619 /nfs/dbraw/zinc/66/96/19/386669619.db2.gz TVXZPTCGBFMNMD-PWSUYJOCSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279260721 386657509 /nfs/dbraw/zinc/65/75/09/386657509.db2.gz UYBAKHMJGPNKOS-SNVBAGLBSA-N 1 2 223.320 1.893 20 0 BDADLO CCCCN(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000279268489 386658037 /nfs/dbraw/zinc/65/80/37/386658037.db2.gz VXWNLLATYROZGC-UHFFFAOYSA-N 1 2 223.320 1.991 20 0 BDADLO O=C([C@H]1CCCOC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329376212 386658555 /nfs/dbraw/zinc/65/85/55/386658555.db2.gz ODPGHFMOOKCOIP-WDEREUQCSA-N 1 2 249.314 1.500 20 0 BDADLO O=C([C@@H]1CCCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329370600 386658773 /nfs/dbraw/zinc/65/87/73/386658773.db2.gz LWHRUBLANPYTIV-MNOVXSKESA-N 1 2 249.314 1.642 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CO1 ZINC000335481994 386709410 /nfs/dbraw/zinc/70/94/10/386709410.db2.gz UDCOPIABQBPMKF-KOLCDFICSA-N 1 2 245.282 1.242 20 0 BDADLO CCc1nocc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000647956332 386688460 /nfs/dbraw/zinc/68/84/60/386688460.db2.gz JNTSUBJHUTVLNQ-ZJUUUORDSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000647956332 386688462 /nfs/dbraw/zinc/68/84/62/386688462.db2.gz JNTSUBJHUTVLNQ-ZJUUUORDSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000647956329 386689694 /nfs/dbraw/zinc/68/96/94/386689694.db2.gz JNTSUBJHUTVLNQ-NXEZZACHSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000647956329 386689699 /nfs/dbraw/zinc/68/96/99/386689699.db2.gz JNTSUBJHUTVLNQ-NXEZZACHSA-N 1 2 224.304 1.846 20 0 BDADLO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccn[nH]1 ZINC000292701020 386711709 /nfs/dbraw/zinc/71/17/09/386711709.db2.gz ODEUMDXYAYMBHC-JTQLQIEISA-N 1 2 238.335 1.052 20 0 BDADLO CCn1cncc1C[N@H+](C)Cc1ccc[nH]1 ZINC000417779370 386711732 /nfs/dbraw/zinc/71/17/32/386711732.db2.gz GXHGCYYYBRUJEA-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1cncc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000417779370 386711739 /nfs/dbraw/zinc/71/17/39/386711739.db2.gz GXHGCYYYBRUJEA-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccc[nH]1 ZINC000417779370 386711744 /nfs/dbraw/zinc/71/17/44/386711744.db2.gz GXHGCYYYBRUJEA-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCN(C[C@@H](C)O)c1cc[nH+]c(C(C)C)n1 ZINC000343249093 386691103 /nfs/dbraw/zinc/69/11/03/386691103.db2.gz CUBHXGBHAFQIPW-SNVBAGLBSA-N 1 2 223.320 1.807 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)OC1CCCC1 ZINC000295243943 386695092 /nfs/dbraw/zinc/69/50/92/386695092.db2.gz VOAQRABBSHNZDL-JTQLQIEISA-N 1 2 237.303 1.940 20 0 BDADLO Cc1cncc(C[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000391932554 386695187 /nfs/dbraw/zinc/69/51/87/386695187.db2.gz ZEUJEEYIKULQQE-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H](CO)c2ccccc2)[nH]1 ZINC000292594927 386696573 /nfs/dbraw/zinc/69/65/73/386696573.db2.gz VKJBZNAFVGMGJQ-GFCCVEGCSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H](CO)c2ccccc2)[nH]1 ZINC000292594927 386696578 /nfs/dbraw/zinc/69/65/78/386696578.db2.gz VKJBZNAFVGMGJQ-GFCCVEGCSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)OC(C)(C)C2)co1 ZINC000647960777 386731101 /nfs/dbraw/zinc/73/11/01/386731101.db2.gz IFACJCPFSPRWPO-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)co1 ZINC000647960777 386731104 /nfs/dbraw/zinc/73/11/04/386731104.db2.gz IFACJCPFSPRWPO-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000527032141 386734918 /nfs/dbraw/zinc/73/49/18/386734918.db2.gz MIEUPYRIRZUSDA-GHMZBOCLSA-N 1 2 235.331 1.515 20 0 BDADLO CC(C)[C@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000292855111 386735373 /nfs/dbraw/zinc/73/53/73/386735373.db2.gz GMQGNFRRXCNPEX-SECBINFHSA-N 1 2 245.754 1.522 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000292855111 386735377 /nfs/dbraw/zinc/73/53/77/386735377.db2.gz GMQGNFRRXCNPEX-SECBINFHSA-N 1 2 245.754 1.522 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C1CCC1 ZINC000457448903 386735849 /nfs/dbraw/zinc/73/58/49/386735849.db2.gz XQKADWNTTIUORY-QWRGUYRKSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000247978447 386738609 /nfs/dbraw/zinc/73/86/09/386738609.db2.gz WDERLJMDXACQFV-RKDXNWHRSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000247978447 386738615 /nfs/dbraw/zinc/73/86/15/386738615.db2.gz WDERLJMDXACQFV-RKDXNWHRSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C(=O)N(C)Cc2[nH+]ccn2C)c(C)o1 ZINC000330475171 386727579 /nfs/dbraw/zinc/72/75/79/386727579.db2.gz SPDPSTWEPSKJPG-UHFFFAOYSA-N 1 2 248.286 1.297 20 0 BDADLO CC(C)c1ncc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000279848637 386746438 /nfs/dbraw/zinc/74/64/38/386746438.db2.gz DVQHUPKUESGTIG-UHFFFAOYSA-N 1 2 245.286 1.435 20 0 BDADLO COC(=O)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348529847 386751519 /nfs/dbraw/zinc/75/15/19/386751519.db2.gz FWIXEBWSJHNXRR-RBZYPMLTSA-N 1 2 249.310 1.702 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334154082 386751818 /nfs/dbraw/zinc/75/18/18/386751818.db2.gz QGOCWALVPSYLBO-XPUUQOCRSA-N 1 2 240.225 1.299 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334154082 386751822 /nfs/dbraw/zinc/75/18/22/386751822.db2.gz QGOCWALVPSYLBO-XPUUQOCRSA-N 1 2 240.225 1.299 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H]2CCCO2)n1 ZINC000329640312 386752091 /nfs/dbraw/zinc/75/20/91/386752091.db2.gz ZSIUPGWFUIGLRX-SECBINFHSA-N 1 2 234.259 1.245 20 0 BDADLO Cc1cc(NC(=O)NC[C@]2(C)CCOC2)cc[nH+]1 ZINC000334155316 386755889 /nfs/dbraw/zinc/75/58/89/386755889.db2.gz UZDABVQGYZFMQJ-ZDUSSCGKSA-N 1 2 249.314 1.360 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)C(=O)NC(C)(C)C ZINC000192299233 386756223 /nfs/dbraw/zinc/75/62/23/386756223.db2.gz RNDWZOAVZVPIDD-MRVPVSSYSA-N 1 2 225.292 1.067 20 0 BDADLO CN(C)c1ccc(NCc2ccc(CO)o2)[nH+]c1 ZINC000269172333 386757446 /nfs/dbraw/zinc/75/74/46/386757446.db2.gz ZJPSFZMFEUOHDI-UHFFFAOYSA-N 1 2 247.298 1.845 20 0 BDADLO O=C(C[NH2+]Cc1cocn1)NC1CCCCC1 ZINC000192311514 386758472 /nfs/dbraw/zinc/75/84/72/386758472.db2.gz KKVKOHMIIJSMJM-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCNC1=O ZINC000269256565 386765900 /nfs/dbraw/zinc/76/59/00/386765900.db2.gz CADOKNUBCQYFCV-NSHDSACASA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCNC1=O ZINC000269256565 386765906 /nfs/dbraw/zinc/76/59/06/386765906.db2.gz CADOKNUBCQYFCV-NSHDSACASA-N 1 2 240.253 1.285 20 0 BDADLO CC[C@](C)(OC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280001428 386766457 /nfs/dbraw/zinc/76/64/57/386766457.db2.gz HTVKVAMASZDRAM-PWSUYJOCSA-N 1 2 239.319 1.203 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)on1 ZINC000348927465 386768366 /nfs/dbraw/zinc/76/83/66/386768366.db2.gz MDBDKYIKNFRYOA-JTQLQIEISA-N 1 2 234.303 1.910 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)on1 ZINC000348927465 386768373 /nfs/dbraw/zinc/76/83/73/386768373.db2.gz MDBDKYIKNFRYOA-JTQLQIEISA-N 1 2 234.303 1.910 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340869879 386791882 /nfs/dbraw/zinc/79/18/82/386791882.db2.gz BFPDUVRZLSUUME-ZDUSSCGKSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340869879 386791886 /nfs/dbraw/zinc/79/18/86/386791886.db2.gz BFPDUVRZLSUUME-ZDUSSCGKSA-N 1 2 242.363 1.404 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000248733549 386792203 /nfs/dbraw/zinc/79/22/03/386792203.db2.gz KCMHNYJTSNIDQB-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000248733549 386792210 /nfs/dbraw/zinc/79/22/10/386792210.db2.gz KCMHNYJTSNIDQB-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO CC[C@H](NC(=O)C1CC=CC1)c1[nH]cc[nH+]1 ZINC000125340076 386795953 /nfs/dbraw/zinc/79/59/53/386795953.db2.gz ATKZTJNVTOVENU-JTQLQIEISA-N 1 2 219.288 1.943 20 0 BDADLO CC(C)N(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000527066408 386772083 /nfs/dbraw/zinc/77/20/83/386772083.db2.gz NDSGYTWULHGDJD-UHFFFAOYSA-N 1 2 222.292 1.200 20 0 BDADLO CC[C@@H](O)[C@H](CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000450853551 386772868 /nfs/dbraw/zinc/77/28/68/386772868.db2.gz BJCXZSYMPHICHC-WDEREUQCSA-N 1 2 237.347 1.983 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000396572419 386782357 /nfs/dbraw/zinc/78/23/57/386782357.db2.gz FNUXNTUJCJQZIO-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO CCC[C@H]([NH2+]C[C@H](CC)OC)C(=O)OCC ZINC000336667001 386785770 /nfs/dbraw/zinc/78/57/70/386785770.db2.gz LYIIGNOEQJXLBR-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1nscc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000329713600 386788763 /nfs/dbraw/zinc/78/87/63/386788763.db2.gz RSMQRDMHILLCFO-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000339910994 386789213 /nfs/dbraw/zinc/78/92/13/386789213.db2.gz AGJYJJLXDBCISF-ZJUUUORDSA-N 1 2 219.288 1.082 20 0 BDADLO C[C@@H]([NH2+]CCn1ccnc1)c1csnn1 ZINC000398378967 386818581 /nfs/dbraw/zinc/81/85/81/386818581.db2.gz SDOXKRNSYTXASZ-MRVPVSSYSA-N 1 2 223.305 1.085 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)[C@@H](CO)c1ccccc1 ZINC000280583772 386823848 /nfs/dbraw/zinc/82/38/48/386823848.db2.gz XBIKGDLARUKPMW-ZDUSSCGKSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)[C@@H](CO)c1ccccc1 ZINC000280583772 386823856 /nfs/dbraw/zinc/82/38/56/386823856.db2.gz XBIKGDLARUKPMW-ZDUSSCGKSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)[C@@H](CO)c1ccccc1 ZINC000280583772 386823859 /nfs/dbraw/zinc/82/38/59/386823859.db2.gz XBIKGDLARUKPMW-ZDUSSCGKSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)[C@@H](CO)c1ccccc1 ZINC000280583772 386823863 /nfs/dbraw/zinc/82/38/63/386823863.db2.gz XBIKGDLARUKPMW-ZDUSSCGKSA-N 1 2 231.299 1.575 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125330290 386797986 /nfs/dbraw/zinc/79/79/86/386797986.db2.gz XOCZNPHODSGPCB-DTWKUNHWSA-N 1 2 223.276 1.156 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000269476914 386799013 /nfs/dbraw/zinc/79/90/13/386799013.db2.gz DRFXFIXWLIKNGO-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@@H](C)C1 ZINC000269476914 386799017 /nfs/dbraw/zinc/79/90/17/386799017.db2.gz DRFXFIXWLIKNGO-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO CC(C)c1nc(NCCc2cnn(C)c2)cc[nH+]1 ZINC000301222605 386824257 /nfs/dbraw/zinc/82/42/57/386824257.db2.gz BLOWTBPHUOCFJV-UHFFFAOYSA-N 1 2 245.330 1.988 20 0 BDADLO Cn1nnc(C[N@H+](C)C2CCCCCC2)n1 ZINC000192962258 386802465 /nfs/dbraw/zinc/80/24/65/386802465.db2.gz HBWUKECXHJGJSF-UHFFFAOYSA-N 1 2 223.324 1.365 20 0 BDADLO Cn1nnc(C[N@@H+](C)C2CCCCCC2)n1 ZINC000192962258 386802475 /nfs/dbraw/zinc/80/24/75/386802475.db2.gz HBWUKECXHJGJSF-UHFFFAOYSA-N 1 2 223.324 1.365 20 0 BDADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293325979 386804312 /nfs/dbraw/zinc/80/43/12/386804312.db2.gz GEWWTGFVUZHZAA-UTLUCORTSA-N 1 2 234.303 1.144 20 0 BDADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293325979 386804315 /nfs/dbraw/zinc/80/43/15/386804315.db2.gz GEWWTGFVUZHZAA-UTLUCORTSA-N 1 2 234.303 1.144 20 0 BDADLO CC(C)C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340906258 386807417 /nfs/dbraw/zinc/80/74/17/386807417.db2.gz MBXIKEGSJNZABQ-VIFPVBQESA-N 1 2 224.308 1.378 20 0 BDADLO CC(C)C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340906258 386807422 /nfs/dbraw/zinc/80/74/22/386807422.db2.gz MBXIKEGSJNZABQ-VIFPVBQESA-N 1 2 224.308 1.378 20 0 BDADLO CCN(C[C@H]1CCCO1)c1cc(C)[nH+]cn1 ZINC000301221811 386825012 /nfs/dbraw/zinc/82/50/12/386825012.db2.gz CJGPCMXJAZQMOL-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](O)C[C@H]2C)c(C)c[nH+]1 ZINC000526075729 386808045 /nfs/dbraw/zinc/80/80/45/386808045.db2.gz WUYMVEYLWZZRAV-GHMZBOCLSA-N 1 2 249.314 1.107 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cnccn1 ZINC000357590453 386808675 /nfs/dbraw/zinc/80/86/75/386808675.db2.gz DKRJIKZBMSZGRH-UHFFFAOYSA-N 1 2 228.255 1.108 20 0 BDADLO Cc1cc(C(=O)N2CCn3cc[nH+]c3C2)ns1 ZINC000329873852 386811874 /nfs/dbraw/zinc/81/18/74/386811874.db2.gz FEXXKMRIZUOBPT-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c[nH]nc2C)n1C ZINC000336671530 386812577 /nfs/dbraw/zinc/81/25/77/386812577.db2.gz AMUMZGQVQGWWTR-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cc1c[nH+]c(CNCc2c[nH]nc2C)n1C ZINC000336671530 386812583 /nfs/dbraw/zinc/81/25/83/386812583.db2.gz AMUMZGQVQGWWTR-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000329928856 386814920 /nfs/dbraw/zinc/81/49/20/386814920.db2.gz YHDLXIRXCXZUSU-HOSYDEDBSA-N 1 2 248.330 1.556 20 0 BDADLO Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000329928856 386814926 /nfs/dbraw/zinc/81/49/26/386814926.db2.gz YHDLXIRXCXZUSU-HOSYDEDBSA-N 1 2 248.330 1.556 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCCCO1 ZINC000334774331 386827374 /nfs/dbraw/zinc/82/73/74/386827374.db2.gz XEIFRCSPJZMRBX-ZDUSSCGKSA-N 1 2 234.299 1.710 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000290143931 386828554 /nfs/dbraw/zinc/82/85/54/386828554.db2.gz KWDRTAHWFAZRQX-ARENWVFISA-N 1 2 242.344 1.516 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)C ZINC000280671127 386833702 /nfs/dbraw/zinc/83/37/02/386833702.db2.gz UFJBZKNYLNIJHJ-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO Nc1nnc(SCc2cc[nH+]c(N)c2)s1 ZINC000193053782 386836026 /nfs/dbraw/zinc/83/60/26/386836026.db2.gz FXICXPZUNWGJQQ-UHFFFAOYSA-N 1 2 239.329 1.390 20 0 BDADLO CCN(C[C@H](C)O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000341109755 386839048 /nfs/dbraw/zinc/83/90/48/386839048.db2.gz VDZZQLNEPJSDRQ-JTQLQIEISA-N 1 2 247.298 1.177 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1conc1C ZINC000293570420 386840250 /nfs/dbraw/zinc/84/02/50/386840250.db2.gz IYFKTYSDTAHGAX-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1conc1C ZINC000293570420 386840255 /nfs/dbraw/zinc/84/02/55/386840255.db2.gz IYFKTYSDTAHGAX-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)c2ccccn2)n1C ZINC000341122214 386843539 /nfs/dbraw/zinc/84/35/39/386843539.db2.gz KBLXVZFUEUHUGQ-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2ccccn2)n1C ZINC000341122214 386843546 /nfs/dbraw/zinc/84/35/46/386843546.db2.gz KBLXVZFUEUHUGQ-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H]1SC ZINC000425333276 386847739 /nfs/dbraw/zinc/84/77/39/386847739.db2.gz DXZSGPLQTMIIPS-PRJMDXOYSA-N 1 2 203.307 1.032 20 0 BDADLO C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[S@]1=O ZINC000334790322 386854097 /nfs/dbraw/zinc/85/40/97/386854097.db2.gz MPLJNRUBIPAKRD-VXJOIVPMSA-N 1 2 237.315 1.485 20 0 BDADLO C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[S@]1=O ZINC000334790322 386854100 /nfs/dbraw/zinc/85/41/00/386854100.db2.gz MPLJNRUBIPAKRD-VXJOIVPMSA-N 1 2 237.315 1.485 20 0 BDADLO Cc1nocc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000293673376 386858664 /nfs/dbraw/zinc/85/86/64/386858664.db2.gz QUAXECSIEVSDLW-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO Cc1nocc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000293673376 386858669 /nfs/dbraw/zinc/85/86/69/386858669.db2.gz QUAXECSIEVSDLW-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO Cc1nc(N2CC[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000301668884 386865801 /nfs/dbraw/zinc/86/58/01/386865801.db2.gz DJKKSBZABFJWSH-NSHDSACASA-N 1 2 221.304 1.220 20 0 BDADLO CCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357940467 386869074 /nfs/dbraw/zinc/86/90/74/386869074.db2.gz WTANVXJNTRTFPT-UHFFFAOYSA-N 1 2 206.249 1.346 20 0 BDADLO C=Cn1cc(C[NH2+][C@H]2CCCn3ncnc32)cn1 ZINC000331586012 386871699 /nfs/dbraw/zinc/87/16/99/386871699.db2.gz SRKKFWSOGOQPSW-NSHDSACASA-N 1 2 244.302 1.200 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)COCC)C(=O)OC ZINC000336744900 386883171 /nfs/dbraw/zinc/88/31/71/386883171.db2.gz AAKAJPLHHJXWLW-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]c[nH]2)CCOCC1 ZINC000330730381 386886895 /nfs/dbraw/zinc/88/68/95/386886895.db2.gz PJKXSGOPRMMEGZ-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO CCC1(C(=O)NCc2c[nH]c[nH+]2)CCOCC1 ZINC000330730381 386886900 /nfs/dbraw/zinc/88/69/00/386886900.db2.gz PJKXSGOPRMMEGZ-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000366727310 386890707 /nfs/dbraw/zinc/89/07/07/386890707.db2.gz AHUFAPQRIGQMEV-GHMZBOCLSA-N 1 2 248.326 1.791 20 0 BDADLO CCN(CCO)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341512975 386914016 /nfs/dbraw/zinc/91/40/16/386914016.db2.gz SWHHGMHXRXAUDC-UHFFFAOYSA-N 1 2 221.304 1.481 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334862346 386915968 /nfs/dbraw/zinc/91/59/68/386915968.db2.gz KFWGVESJZROAKP-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334862346 386915974 /nfs/dbraw/zinc/91/59/74/386915974.db2.gz KFWGVESJZROAKP-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO COC[C@@H](CNc1cc[nH+]c(C(C)C)n1)OC ZINC000358130249 386896019 /nfs/dbraw/zinc/89/60/19/386896019.db2.gz XZJYQYBXAZKKEG-SNVBAGLBSA-N 1 2 239.319 1.095 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000335761848 386900235 /nfs/dbraw/zinc/90/02/35/386900235.db2.gz PEUWTHQXDVBIQY-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000335761848 386900240 /nfs/dbraw/zinc/90/02/40/386900240.db2.gz PEUWTHQXDVBIQY-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)o1 ZINC000335761737 386900260 /nfs/dbraw/zinc/90/02/60/386900260.db2.gz PGECWOMLWRQJPT-CMPLNLGQSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)o1 ZINC000335761737 386900265 /nfs/dbraw/zinc/90/02/65/386900265.db2.gz PGECWOMLWRQJPT-CMPLNLGQSA-N 1 2 236.315 1.982 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000334851380 386900792 /nfs/dbraw/zinc/90/07/92/386900792.db2.gz BFNBCAYMVRFLTG-SNVBAGLBSA-N 1 2 209.268 1.583 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000334851380 386900795 /nfs/dbraw/zinc/90/07/95/386900795.db2.gz BFNBCAYMVRFLTG-SNVBAGLBSA-N 1 2 209.268 1.583 20 0 BDADLO CCc1cc(Nc2cnn(CCO)c2)nc(C)[nH+]1 ZINC000302069108 386902398 /nfs/dbraw/zinc/90/23/98/386902398.db2.gz XJZLMKJKNGVDNE-UHFFFAOYSA-N 1 2 247.302 1.280 20 0 BDADLO C[C@@H]1CC[N@H+](CC2(O)CCOCC2)CC1(F)F ZINC000334852668 386902719 /nfs/dbraw/zinc/90/27/19/386902719.db2.gz XDPPKKCEHYEANG-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO C[C@@H]1CC[N@@H+](CC2(O)CCOCC2)CC1(F)F ZINC000334852668 386902721 /nfs/dbraw/zinc/90/27/21/386902721.db2.gz XDPPKKCEHYEANG-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nocc1CN1CCn2c[nH+]cc2C1 ZINC000293918083 386903823 /nfs/dbraw/zinc/90/38/23/386903823.db2.gz MIDBEBILZWQCQJ-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@]23CCOC3)c(C)c[nH+]1 ZINC000368145914 386946876 /nfs/dbraw/zinc/94/68/76/386946876.db2.gz AENNWXFDVLLWSI-FZMZJTMJSA-N 1 2 246.310 1.485 20 0 BDADLO CSC1(C(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000331910001 386922608 /nfs/dbraw/zinc/92/26/08/386922608.db2.gz COZBLRARRWGLIL-UHFFFAOYSA-N 1 2 239.344 1.620 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cncnc1C ZINC000358266576 386923754 /nfs/dbraw/zinc/92/37/54/386923754.db2.gz NPMDLOZILJVSFC-UHFFFAOYSA-N 1 2 242.282 1.417 20 0 BDADLO CCN(C)C(=O)CNc1cc[nH+]c(C(C)C)n1 ZINC000302496322 386923779 /nfs/dbraw/zinc/92/37/79/386923779.db2.gz UKPYGCOCRQDNBY-UHFFFAOYSA-N 1 2 236.319 1.490 20 0 BDADLO CC(C)c1nc(N(C)CC2(CO)CC2)cc[nH+]1 ZINC000302504915 386924768 /nfs/dbraw/zinc/92/47/68/386924768.db2.gz QEVNMYNBCMSRNR-UHFFFAOYSA-N 1 2 235.331 1.809 20 0 BDADLO Cn1ncc2c1nc(NCc1ccco1)[nH+]c2N ZINC000302591858 386927883 /nfs/dbraw/zinc/92/78/83/386927883.db2.gz WPOUBFBSHGYPQN-UHFFFAOYSA-N 1 2 244.258 1.151 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)COC)c1[nH]cc[nH+]1 ZINC000330958645 386930156 /nfs/dbraw/zinc/93/01/56/386930156.db2.gz AMHLXWASDCPQFW-IUCAKERBSA-N 1 2 225.292 1.260 20 0 BDADLO Cn1cc(C[NH2+]C2(c3ccc(F)cc3)CC2)nn1 ZINC000341672863 386942089 /nfs/dbraw/zinc/94/20/89/386942089.db2.gz KJQFSNMSRDIUTI-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO COC1(C(=O)NCc2c[nH+]c[nH]2)CCCCC1 ZINC000331083298 386955919 /nfs/dbraw/zinc/95/59/19/386955919.db2.gz YNIMYPDBWIAZGN-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO COC1(C(=O)NCc2c[nH]c[nH+]2)CCCCC1 ZINC000331083298 386955927 /nfs/dbraw/zinc/95/59/27/386955927.db2.gz YNIMYPDBWIAZGN-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO Cc1nc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)cs1 ZINC000368333935 386962314 /nfs/dbraw/zinc/96/23/14/386962314.db2.gz UVTXEUBWTVYXMJ-WDEREUQCSA-N 1 2 224.329 1.467 20 0 BDADLO Cc1nc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)cs1 ZINC000368333935 386962317 /nfs/dbraw/zinc/96/23/17/386962317.db2.gz UVTXEUBWTVYXMJ-WDEREUQCSA-N 1 2 224.329 1.467 20 0 BDADLO CC(C)n1nccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000331108285 386963423 /nfs/dbraw/zinc/96/34/23/386963423.db2.gz HRNPEPJUBGOKQW-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO COCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368342185 386963717 /nfs/dbraw/zinc/96/37/17/386963717.db2.gz XUKXAZRVMHXZQL-UONOGXRCSA-N 1 2 233.311 1.806 20 0 BDADLO COCc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368342185 386963724 /nfs/dbraw/zinc/96/37/24/386963724.db2.gz XUKXAZRVMHXZQL-UONOGXRCSA-N 1 2 233.311 1.806 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOCC2CC2)s1 ZINC000358515277 386972260 /nfs/dbraw/zinc/97/22/60/386972260.db2.gz XWTDATQTELJTGT-UHFFFAOYSA-N 1 2 241.360 1.705 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOCC2CC2)s1 ZINC000358515277 386972265 /nfs/dbraw/zinc/97/22/65/386972265.db2.gz XWTDATQTELJTGT-UHFFFAOYSA-N 1 2 241.360 1.705 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000332416958 386977425 /nfs/dbraw/zinc/97/74/25/386977425.db2.gz QTXOGZNRWBKKME-VHSXEESVSA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@H](O)C[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000332416958 386977428 /nfs/dbraw/zinc/97/74/28/386977428.db2.gz QTXOGZNRWBKKME-VHSXEESVSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc(C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)no1 ZINC000331162628 386980677 /nfs/dbraw/zinc/98/06/77/386980677.db2.gz FTCMHIFAPMHROE-ONGXEEELSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)no1 ZINC000331162628 386980682 /nfs/dbraw/zinc/98/06/82/386980682.db2.gz FTCMHIFAPMHROE-ONGXEEELSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(CO)C1 ZINC000332456610 386982191 /nfs/dbraw/zinc/98/21/91/386982191.db2.gz OMNNRVDWRTWECP-UHFFFAOYSA-N 1 2 235.287 1.154 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH+]c[nH]2)on1 ZINC000358596683 386983882 /nfs/dbraw/zinc/98/38/82/386983882.db2.gz SNOXFQFDOXXWSH-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH]c[nH+]2)on1 ZINC000358596683 386983889 /nfs/dbraw/zinc/98/38/89/386983889.db2.gz SNOXFQFDOXXWSH-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)(C)C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332605659 386993126 /nfs/dbraw/zinc/99/31/26/386993126.db2.gz BXRHJHNSTBPLOR-SECBINFHSA-N 1 2 238.335 1.768 20 0 BDADLO CC(C)(C)C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332605659 386993129 /nfs/dbraw/zinc/99/31/29/386993129.db2.gz BXRHJHNSTBPLOR-SECBINFHSA-N 1 2 238.335 1.768 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+](C)CCCO)n1 ZINC000331286238 386996506 /nfs/dbraw/zinc/99/65/06/386996506.db2.gz IGLAPJMCIODHJF-SECBINFHSA-N 1 2 227.308 1.568 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+](C)CCCO)n1 ZINC000331286238 386996511 /nfs/dbraw/zinc/99/65/11/386996511.db2.gz IGLAPJMCIODHJF-SECBINFHSA-N 1 2 227.308 1.568 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332719867 387004068 /nfs/dbraw/zinc/00/40/68/387004068.db2.gz RJSQICRCGAZGBA-MRVPVSSYSA-N 1 2 210.281 1.131 20 0 BDADLO CC(C)[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332719867 387004070 /nfs/dbraw/zinc/00/40/70/387004070.db2.gz RJSQICRCGAZGBA-MRVPVSSYSA-N 1 2 210.281 1.131 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCCCCC1 ZINC000334820590 386949285 /nfs/dbraw/zinc/94/92/85/386949285.db2.gz ZYTCCNUJPKIMOS-LLVKDONJSA-N 1 2 228.311 1.433 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCCCCC1 ZINC000334820590 386949290 /nfs/dbraw/zinc/94/92/90/386949290.db2.gz ZYTCCNUJPKIMOS-LLVKDONJSA-N 1 2 228.311 1.433 20 0 BDADLO C[C@@]1(O)C[C@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000334953046 387030975 /nfs/dbraw/zinc/03/09/75/387030975.db2.gz CHDINXFEADKHBR-LYWQIFSTSA-N 1 2 217.272 1.310 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425381939 387033864 /nfs/dbraw/zinc/03/38/64/387033864.db2.gz GUFJWUKYUJCKCD-SSDOTTSWSA-N 1 2 247.245 1.212 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425381939 387033871 /nfs/dbraw/zinc/03/38/71/387033871.db2.gz GUFJWUKYUJCKCD-SSDOTTSWSA-N 1 2 247.245 1.212 20 0 BDADLO c1cn([C@@H]2CCC[N@@H+](Cc3ccon3)C2)nn1 ZINC000333429261 387035826 /nfs/dbraw/zinc/03/58/26/387035826.db2.gz UBYGTNUNXMWHDJ-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO c1cn([C@@H]2CCC[N@H+](Cc3ccon3)C2)nn1 ZINC000333429261 387035834 /nfs/dbraw/zinc/03/58/34/387035834.db2.gz UBYGTNUNXMWHDJ-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO CCCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369360598 387041833 /nfs/dbraw/zinc/04/18/33/387041833.db2.gz XVBBPDSFCQIPEI-NSHDSACASA-N 1 2 235.331 1.926 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnccn2)C[C@@H](C2CC2)O1 ZINC000514658685 387050525 /nfs/dbraw/zinc/05/05/25/387050525.db2.gz DKJICKUEZBCMQK-GWCFXTLKSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnccn2)C[C@@H](C2CC2)O1 ZINC000514658685 387050532 /nfs/dbraw/zinc/05/05/32/387050532.db2.gz DKJICKUEZBCMQK-GWCFXTLKSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@]12C[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333755492 387053865 /nfs/dbraw/zinc/05/38/65/387053865.db2.gz YMGRDZTVLDJLJO-BSTOTGJRSA-N 1 2 248.330 1.378 20 0 BDADLO C[C@]12C[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333755492 387053869 /nfs/dbraw/zinc/05/38/69/387053869.db2.gz YMGRDZTVLDJLJO-BSTOTGJRSA-N 1 2 248.330 1.378 20 0 BDADLO Cc1nc(N2CCC[C@H](C)CC2)nc(N(C)C)[nH+]1 ZINC000359124337 387058333 /nfs/dbraw/zinc/05/83/33/387058333.db2.gz KSHLXKVSZFOIMF-JTQLQIEISA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H](C)CC2)[nH+]1 ZINC000359124337 387058336 /nfs/dbraw/zinc/05/83/36/387058336.db2.gz KSHLXKVSZFOIMF-JTQLQIEISA-N 1 2 249.362 1.872 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000336222904 387063376 /nfs/dbraw/zinc/06/33/76/387063376.db2.gz UWUVRLRBDHVIEB-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000336222904 387063380 /nfs/dbraw/zinc/06/33/80/387063380.db2.gz UWUVRLRBDHVIEB-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000336222871 387063851 /nfs/dbraw/zinc/06/38/51/387063851.db2.gz QGCYXHZUHUTDNU-SNVBAGLBSA-N 1 2 223.247 1.959 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000336222871 387063855 /nfs/dbraw/zinc/06/38/55/387063855.db2.gz QGCYXHZUHUTDNU-SNVBAGLBSA-N 1 2 223.247 1.959 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C1CC1)C1COC1 ZINC000425373639 387014972 /nfs/dbraw/zinc/01/49/72/387014972.db2.gz VTHLRUKNGHCHDY-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccco2)C1 ZINC000425374746 387015275 /nfs/dbraw/zinc/01/52/75/387015275.db2.gz QZOQZRVPOQORBN-UHFFFAOYSA-N 1 2 209.245 1.275 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528388918 387015609 /nfs/dbraw/zinc/01/56/09/387015609.db2.gz KUUAEUNETBYSOC-MRVPVSSYSA-N 1 2 241.360 1.618 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528388918 387015610 /nfs/dbraw/zinc/01/56/10/387015610.db2.gz KUUAEUNETBYSOC-MRVPVSSYSA-N 1 2 241.360 1.618 20 0 BDADLO Cc1nsc(N2CC[NH+](C3CC3)CC2)n1 ZINC000358801043 387015759 /nfs/dbraw/zinc/01/57/59/387015759.db2.gz CBEYWCONUPUNRX-UHFFFAOYSA-N 1 2 224.333 1.131 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333084784 387016588 /nfs/dbraw/zinc/01/65/88/387016588.db2.gz YANLIKNNWISFQK-LLVKDONJSA-N 1 2 249.314 1.152 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333084784 387016591 /nfs/dbraw/zinc/01/65/91/387016591.db2.gz YANLIKNNWISFQK-LLVKDONJSA-N 1 2 249.314 1.152 20 0 BDADLO c1cc(C[NH2+]Cc2nc3c(s2)CCC3)on1 ZINC000648023158 387022308 /nfs/dbraw/zinc/02/23/08/387022308.db2.gz CXMGECDQINJCGO-UHFFFAOYSA-N 1 2 235.312 1.910 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000334884727 387026821 /nfs/dbraw/zinc/02/68/21/387026821.db2.gz BYHFCHPCUHHOPX-AOOOYVTPSA-N 1 2 221.304 1.742 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1COCC1(C)C ZINC000334982421 387070734 /nfs/dbraw/zinc/07/07/34/387070734.db2.gz XDJVWFGGSBTULZ-NSHDSACASA-N 1 2 249.314 1.358 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@@H]1C)CC2 ZINC000369922304 387076506 /nfs/dbraw/zinc/07/65/06/387076506.db2.gz CQUUVOWXWQWASA-WPRPVWTQSA-N 1 2 219.288 1.190 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H]2F)c2[nH+]ccn21 ZINC000424866781 387079026 /nfs/dbraw/zinc/07/90/26/387079026.db2.gz GDFKBYAOVSBKDX-JDVQERKKSA-N 1 2 237.278 1.753 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2(SC)CC2)C1 ZINC000418074966 387087041 /nfs/dbraw/zinc/08/70/41/387087041.db2.gz OLJQJMFBRNIHOE-UHFFFAOYSA-N 1 2 249.401 1.001 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000193101614 387089638 /nfs/dbraw/zinc/08/96/38/387089638.db2.gz DLALUTQWYZJVCV-XNWIYYODSA-N 1 2 215.293 1.094 20 0 BDADLO COC1C[NH+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000418083269 387092344 /nfs/dbraw/zinc/09/23/44/387092344.db2.gz KZSACIRHQQYGFJ-UHFFFAOYSA-N 1 2 248.326 1.219 20 0 BDADLO CC(C)C[C@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418086573 387093838 /nfs/dbraw/zinc/09/38/38/387093838.db2.gz YZJWPTOPUDJQIG-JTQLQIEISA-N 1 2 233.377 1.397 20 0 BDADLO CCn1c[nH+]cc1CN1CC(OCC(F)F)C1 ZINC000418085895 387093905 /nfs/dbraw/zinc/09/39/05/387093905.db2.gz BLSBZWGSIVBITG-UHFFFAOYSA-N 1 2 245.273 1.369 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000336261418 387094612 /nfs/dbraw/zinc/09/46/12/387094612.db2.gz BCYVQPQHEVDMRS-QMMMGPOBSA-N 1 2 229.374 1.784 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000336261418 387094617 /nfs/dbraw/zinc/09/46/17/387094617.db2.gz BCYVQPQHEVDMRS-QMMMGPOBSA-N 1 2 229.374 1.784 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000067461824 387095172 /nfs/dbraw/zinc/09/51/72/387095172.db2.gz JICGLAIQGGSPEV-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000067461824 387095175 /nfs/dbraw/zinc/09/51/75/387095175.db2.gz JICGLAIQGGSPEV-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO C[C@H](C(=O)Nc1ccc(N)[nH+]c1)C(F)(F)F ZINC000335001795 387095831 /nfs/dbraw/zinc/09/58/31/387095831.db2.gz CTUIVBKXQVIQTF-RXMQYKEDSA-N 1 2 233.193 1.631 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H]1COC(C)(C)C1 ZINC000418088127 387096161 /nfs/dbraw/zinc/09/61/61/387096161.db2.gz JKNIKHNNPDNYMR-GHMZBOCLSA-N 1 2 241.331 1.485 20 0 BDADLO COc1ncccc1C[N@@H+]1CC[C@H](F)C1 ZINC000336263075 387096633 /nfs/dbraw/zinc/09/66/33/387096633.db2.gz PXTAUSUZTKHQIO-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1ncccc1C[N@H+]1CC[C@H](F)C1 ZINC000336263075 387096636 /nfs/dbraw/zinc/09/66/36/387096636.db2.gz PXTAUSUZTKHQIO-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)C(F)(F)F)n1C ZINC000336766058 387099630 /nfs/dbraw/zinc/09/96/30/387099630.db2.gz RUTCKGCIZYWZGL-ZETCQYMHSA-N 1 2 221.226 1.769 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)CCC(F)(F)F ZINC000359430548 387099817 /nfs/dbraw/zinc/09/98/17/387099817.db2.gz JQINEYQPIWRUES-OAHLLOKOSA-N 1 2 240.250 1.621 20 0 BDADLO Cn1nnc(C[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000193369393 387102127 /nfs/dbraw/zinc/10/21/27/387102127.db2.gz NTFBFUVJULUTGD-UHFFFAOYSA-N 1 2 249.362 1.756 20 0 BDADLO Cn1nnc(C[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000193369393 387102134 /nfs/dbraw/zinc/10/21/34/387102134.db2.gz NTFBFUVJULUTGD-UHFFFAOYSA-N 1 2 249.362 1.756 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478014 387104955 /nfs/dbraw/zinc/10/49/55/387104955.db2.gz VILZTYMRZMHVBB-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478014 387104962 /nfs/dbraw/zinc/10/49/62/387104962.db2.gz VILZTYMRZMHVBB-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000335009115 387105390 /nfs/dbraw/zinc/10/53/90/387105390.db2.gz LANPOOPMNPCAQJ-WCBMZHEXSA-N 1 2 239.344 1.544 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000336273128 387106895 /nfs/dbraw/zinc/10/68/95/387106895.db2.gz JVKDRSHOVURJCK-LBPRGKRZSA-N 1 2 207.273 1.890 20 0 BDADLO c1coc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000336273128 387106900 /nfs/dbraw/zinc/10/69/00/387106900.db2.gz JVKDRSHOVURJCK-LBPRGKRZSA-N 1 2 207.273 1.890 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1nccs1)C1CC1 ZINC000336766686 387117321 /nfs/dbraw/zinc/11/73/21/387117321.db2.gz PESNYSAUPMKEJY-JTQLQIEISA-N 1 2 240.328 1.227 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000359529019 387118155 /nfs/dbraw/zinc/11/81/55/387118155.db2.gz IPYWZKJQFGQRDG-RYUDHWBXSA-N 1 2 241.331 1.295 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000359529019 387118158 /nfs/dbraw/zinc/11/81/58/387118158.db2.gz IPYWZKJQFGQRDG-RYUDHWBXSA-N 1 2 241.331 1.295 20 0 BDADLO c1cnc(C[N@@H+]2CCSC[C@@H]2C2CC2)nc1 ZINC000336291851 387123824 /nfs/dbraw/zinc/12/38/24/387123824.db2.gz YHKYJENEKQUZLV-LLVKDONJSA-N 1 2 235.356 1.804 20 0 BDADLO c1cnc(C[N@H+]2CCSC[C@@H]2C2CC2)nc1 ZINC000336291851 387123828 /nfs/dbraw/zinc/12/38/28/387123828.db2.gz YHKYJENEKQUZLV-LLVKDONJSA-N 1 2 235.356 1.804 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@]2(CO)CCOC2)n1 ZINC000359578308 387125428 /nfs/dbraw/zinc/12/54/28/387125428.db2.gz QWCZZYFDORPNHC-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1csc(C[N@H+](C)[C@]2(CO)CCOC2)n1 ZINC000359578308 387125432 /nfs/dbraw/zinc/12/54/32/387125432.db2.gz QWCZZYFDORPNHC-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@]2(CO)CCOC2)cs1 ZINC000359575801 387126415 /nfs/dbraw/zinc/12/64/15/387126415.db2.gz NLPSWNKSAFJPDM-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@]2(CO)CCOC2)cs1 ZINC000359575801 387126417 /nfs/dbraw/zinc/12/64/17/387126417.db2.gz NLPSWNKSAFJPDM-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO CC(C)[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000359600075 387132351 /nfs/dbraw/zinc/13/23/51/387132351.db2.gz MHYIKDWIJOKHJM-BDAKNGLRSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000359600075 387132355 /nfs/dbraw/zinc/13/23/55/387132355.db2.gz MHYIKDWIJOKHJM-BDAKNGLRSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371044008 387144095 /nfs/dbraw/zinc/14/40/95/387144095.db2.gz PBFFZDCTNREQIE-JTQLQIEISA-N 1 2 221.304 1.392 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nnc(C)o3)C2)c1 ZINC000352391699 387146391 /nfs/dbraw/zinc/14/63/91/387146391.db2.gz NVWSMEBQZNSTQQ-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3nnc(C)o3)C2)c1 ZINC000352391699 387146396 /nfs/dbraw/zinc/14/63/96/387146396.db2.gz NVWSMEBQZNSTQQ-NSHDSACASA-N 1 2 247.302 1.330 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCSC2)no1 ZINC000120033410 387150006 /nfs/dbraw/zinc/15/00/06/387150006.db2.gz KYNQZHFNGHOLAX-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCSC2)no1 ZINC000120033410 387150015 /nfs/dbraw/zinc/15/00/15/387150015.db2.gz KYNQZHFNGHOLAX-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000353239477 387163528 /nfs/dbraw/zinc/16/35/28/387163528.db2.gz WQKPWJXESCIYRL-JGVFFNPUSA-N 1 2 213.281 1.406 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000353239477 387163532 /nfs/dbraw/zinc/16/35/32/387163532.db2.gz WQKPWJXESCIYRL-JGVFFNPUSA-N 1 2 213.281 1.406 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@](C)(O)C(C)C ZINC000336340151 387170736 /nfs/dbraw/zinc/17/07/36/387170736.db2.gz WAIGVDJUZOLISR-LBPRGKRZSA-N 1 2 222.288 1.157 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000336341672 387170966 /nfs/dbraw/zinc/17/09/66/387170966.db2.gz LPXRXIFYLUHJPE-LLVKDONJSA-N 1 2 248.326 1.649 20 0 BDADLO CCc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000336341672 387170971 /nfs/dbraw/zinc/17/09/71/387170971.db2.gz LPXRXIFYLUHJPE-LLVKDONJSA-N 1 2 248.326 1.649 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000367151202 387181487 /nfs/dbraw/zinc/18/14/87/387181487.db2.gz NMIUGASZUOHUQA-JRBALWBOSA-N 1 2 231.723 1.620 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000367151202 387181490 /nfs/dbraw/zinc/18/14/90/387181490.db2.gz NMIUGASZUOHUQA-JRBALWBOSA-N 1 2 231.723 1.620 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000352423167 387189174 /nfs/dbraw/zinc/18/91/74/387189174.db2.gz WTFWTUAUFQJXTE-NTZNESFSSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119508541 387136000 /nfs/dbraw/zinc/13/60/00/387136000.db2.gz JXBKHDWEGGYBOT-IJLUTSLNSA-N 1 2 247.342 1.845 20 0 BDADLO CC1(C)C(NC(=O)CCn2cc[nH+]c2)C1(C)C ZINC000359643365 387139814 /nfs/dbraw/zinc/13/98/14/387139814.db2.gz PECQUVSZNNOCML-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)nc1 ZINC000336375537 387205103 /nfs/dbraw/zinc/20/51/03/387205103.db2.gz NHGUQZDHYYGZBL-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)nc1 ZINC000336375537 387205107 /nfs/dbraw/zinc/20/51/07/387205107.db2.gz NHGUQZDHYYGZBL-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000571939151 387207641 /nfs/dbraw/zinc/20/76/41/387207641.db2.gz LGOCVXIDMABYPW-IVZWLZJFSA-N 1 2 239.319 1.506 20 0 BDADLO CC[C@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000571971457 387211605 /nfs/dbraw/zinc/21/16/05/387211605.db2.gz GOMZCOJUJGRIJF-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO O=C(C1CC(=O)C1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336386667 387216079 /nfs/dbraw/zinc/21/60/79/387216079.db2.gz SPKQKYPCNWEKKB-SNVBAGLBSA-N 1 2 233.271 1.052 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000336394325 387222903 /nfs/dbraw/zinc/22/29/03/387222903.db2.gz JSSMAZVHZFDSRX-NXEZZACHSA-N 1 2 237.303 1.207 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)o1 ZINC000336394325 387222907 /nfs/dbraw/zinc/22/29/07/387222907.db2.gz JSSMAZVHZFDSRX-NXEZZACHSA-N 1 2 237.303 1.207 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000336394326 387223384 /nfs/dbraw/zinc/22/33/84/387223384.db2.gz JSSMAZVHZFDSRX-UWVGGRQHSA-N 1 2 237.303 1.207 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)o1 ZINC000336394326 387223387 /nfs/dbraw/zinc/22/33/87/387223387.db2.gz JSSMAZVHZFDSRX-UWVGGRQHSA-N 1 2 237.303 1.207 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572058178 387224913 /nfs/dbraw/zinc/22/49/13/387224913.db2.gz SDSBTWTWYDROSR-IUCAKERBSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572058178 387224919 /nfs/dbraw/zinc/22/49/19/387224919.db2.gz SDSBTWTWYDROSR-IUCAKERBSA-N 1 2 227.283 1.453 20 0 BDADLO c1nnn2c1C[N@H+](Cc1ccccc1)CC2 ZINC000572056269 387225715 /nfs/dbraw/zinc/22/57/15/387225715.db2.gz QVVAGHLYGKZDLG-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO c1nnn2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000572056269 387225718 /nfs/dbraw/zinc/22/57/18/387225718.db2.gz QVVAGHLYGKZDLG-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336422245 387253272 /nfs/dbraw/zinc/25/32/72/387253272.db2.gz XMEGWSDWLHAXQK-VHSXEESVSA-N 1 2 214.284 1.041 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336422245 387253275 /nfs/dbraw/zinc/25/32/75/387253275.db2.gz XMEGWSDWLHAXQK-VHSXEESVSA-N 1 2 214.284 1.041 20 0 BDADLO CC(C)c1nc(N[C@H](C)c2ncnn2C)cc[nH+]1 ZINC000352467873 387230425 /nfs/dbraw/zinc/23/04/25/387230425.db2.gz GLTWEFLHTTUVNI-SECBINFHSA-N 1 2 246.318 1.324 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000336407459 387236254 /nfs/dbraw/zinc/23/62/54/387236254.db2.gz FITQFVXKTZZFBB-QWRGUYRKSA-N 1 2 217.284 1.226 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000336407459 387236257 /nfs/dbraw/zinc/23/62/57/387236257.db2.gz FITQFVXKTZZFBB-QWRGUYRKSA-N 1 2 217.284 1.226 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360174920 387238830 /nfs/dbraw/zinc/23/88/30/387238830.db2.gz GQJCZUVMEXXEDN-VHSXEESVSA-N 1 2 221.304 1.804 20 0 BDADLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)COC)no1 ZINC000353605962 387241859 /nfs/dbraw/zinc/24/18/59/387241859.db2.gz CSQSSMBRULCGTQ-RKDXNWHRSA-N 1 2 243.307 1.292 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000371747156 387246109 /nfs/dbraw/zinc/24/61/09/387246109.db2.gz OUQVNKLQLAKSEC-QWHCGFSZSA-N 1 2 235.331 1.765 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(C)C)CC2 ZINC000623380068 387246297 /nfs/dbraw/zinc/24/62/97/387246297.db2.gz QNKMOKBFWQYXMO-NSHDSACASA-N 1 2 235.331 1.526 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@H]2CC)cn1 ZINC000120432780 387247637 /nfs/dbraw/zinc/24/76/37/387247637.db2.gz KSIOJSGNOQFWST-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@H]2CC)cn1 ZINC000120432780 387247641 /nfs/dbraw/zinc/24/76/41/387247641.db2.gz KSIOJSGNOQFWST-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC(C)(C)C1CC1 ZINC000572154568 387250037 /nfs/dbraw/zinc/25/00/37/387250037.db2.gz BPDFURCKZGNDEE-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2CC2=CCCOC2)no1 ZINC000371373203 387201267 /nfs/dbraw/zinc/20/12/67/387201267.db2.gz KGHDKMFGRYDHET-LLVKDONJSA-N 1 2 235.287 1.553 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2CC2=CCCOC2)no1 ZINC000371373203 387201269 /nfs/dbraw/zinc/20/12/69/387201269.db2.gz KGHDKMFGRYDHET-LLVKDONJSA-N 1 2 235.287 1.553 20 0 BDADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCCO ZINC000303090906 387314829 /nfs/dbraw/zinc/31/48/29/387314829.db2.gz CLTREYHPCBFFBW-JTQLQIEISA-N 1 2 249.314 1.211 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](O)C1 ZINC000120777262 387269022 /nfs/dbraw/zinc/26/90/22/387269022.db2.gz GTZHMDHLHDSDFB-SNVBAGLBSA-N 1 2 235.287 1.379 20 0 BDADLO Cc1cnccc1C(=O)Nc1cc[nH+]cc1O ZINC000353771735 387273190 /nfs/dbraw/zinc/27/31/90/387273190.db2.gz AWWWWGACTHRBMA-UHFFFAOYSA-N 1 2 229.239 1.165 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccon2)c1 ZINC000353826865 387282222 /nfs/dbraw/zinc/28/22/22/387282222.db2.gz ZXSBBGVMDKZMPG-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccon2)c1 ZINC000353826865 387282226 /nfs/dbraw/zinc/28/22/26/387282226.db2.gz ZXSBBGVMDKZMPG-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO c1coc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000120960270 387284625 /nfs/dbraw/zinc/28/46/25/387284625.db2.gz RNBLTRYKNNSRQG-NSHDSACASA-N 1 2 233.271 1.576 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1CCC1)CCC2 ZINC000372245772 387287067 /nfs/dbraw/zinc/28/70/67/387287067.db2.gz VSIGNAHHLOTCSD-GFCCVEGCSA-N 1 2 247.342 1.985 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)no1 ZINC000336553513 387374071 /nfs/dbraw/zinc/37/40/71/387374071.db2.gz RSJJUGOJHMNTKR-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(C)no1 ZINC000336553513 387374078 /nfs/dbraw/zinc/37/40/78/387374078.db2.gz RSJJUGOJHMNTKR-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO c1coc([C@@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)c1 ZINC000121516297 387376091 /nfs/dbraw/zinc/37/60/91/387376091.db2.gz PUSITWPDASPYPP-AAEUAGOBSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)c1 ZINC000121516297 387376096 /nfs/dbraw/zinc/37/60/96/387376096.db2.gz PUSITWPDASPYPP-AAEUAGOBSA-N 1 2 237.299 1.832 20 0 BDADLO C([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1noc(C2CC2)n1 ZINC000372810089 387329079 /nfs/dbraw/zinc/32/90/79/387329079.db2.gz NCVONATUIOZGOP-ZYHUDNBSSA-N 1 2 249.314 1.604 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C12CCC(CC1)C2 ZINC000336506881 387332413 /nfs/dbraw/zinc/33/24/13/387332413.db2.gz ZZBNMYHWRGHKTN-UHFFFAOYSA-N 1 2 247.342 1.959 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCc1ccc(F)cc1 ZINC000354143730 387336974 /nfs/dbraw/zinc/33/69/74/387336974.db2.gz OXXMPTJLNKBFRX-UHFFFAOYSA-N 1 2 249.293 1.024 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000354143730 387336977 /nfs/dbraw/zinc/33/69/77/387336977.db2.gz OXXMPTJLNKBFRX-UHFFFAOYSA-N 1 2 249.293 1.024 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CC12CCOCC2)C1CC1 ZINC000395715992 387344534 /nfs/dbraw/zinc/34/45/34/387344534.db2.gz AKMWLCBBKDRDME-QWRGUYRKSA-N 1 2 239.315 1.097 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554294 387347290 /nfs/dbraw/zinc/34/72/90/387347290.db2.gz KJXIYOLCKATUFY-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554294 387347292 /nfs/dbraw/zinc/34/72/92/387347292.db2.gz KJXIYOLCKATUFY-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO CC(C)[N@H+](Cc1nncn1C)Cc1cccnc1 ZINC000162368970 387348395 /nfs/dbraw/zinc/34/83/95/387348395.db2.gz ONUXXTXDMPEFLG-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC(C)[N@@H+](Cc1nncn1C)Cc1cccnc1 ZINC000162368970 387348397 /nfs/dbraw/zinc/34/83/97/387348397.db2.gz ONUXXTXDMPEFLG-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c(C)n1 ZINC000336527747 387351043 /nfs/dbraw/zinc/35/10/43/387351043.db2.gz XJAXJHAPDZHEFC-LLVKDONJSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c(C)n1 ZINC000336527747 387351047 /nfs/dbraw/zinc/35/10/47/387351047.db2.gz XJAXJHAPDZHEFC-LLVKDONJSA-N 1 2 247.342 1.361 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1c[nH+]c[nH]1 ZINC000361332862 387443115 /nfs/dbraw/zinc/44/31/15/387443115.db2.gz WTUOYMJSECQDIT-VIFPVBQESA-N 1 2 238.335 1.145 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@@H](C)CC(C)C ZINC000304152413 387443784 /nfs/dbraw/zinc/44/37/84/387443784.db2.gz DCQCRCXFAUVISG-RYUDHWBXSA-N 1 2 243.347 1.542 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@@H](C)CC(C)C ZINC000304152413 387443788 /nfs/dbraw/zinc/44/37/88/387443788.db2.gz DCQCRCXFAUVISG-RYUDHWBXSA-N 1 2 243.347 1.542 20 0 BDADLO CCN(CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336605744 387449687 /nfs/dbraw/zinc/44/96/87/387449687.db2.gz JNVRQUFXGOWBHX-JTQLQIEISA-N 1 2 236.319 1.249 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)oc1C ZINC000336610956 387453170 /nfs/dbraw/zinc/45/31/70/387453170.db2.gz NYJSSDLUWGBGOE-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000336615786 387456902 /nfs/dbraw/zinc/45/69/02/387456902.db2.gz LHDOBVCMNVMRIX-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC000515487286 387386816 /nfs/dbraw/zinc/38/68/16/387386816.db2.gz TWEJNDBVTKRIQK-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336563560 387389561 /nfs/dbraw/zinc/38/95/61/387389561.db2.gz QBQOMBLOGGTFFH-ZYHUDNBSSA-N 1 2 233.315 1.662 20 0 BDADLO CCCC[N@H+](C)Cc1nnc2n1CCOC2 ZINC000373908690 387402509 /nfs/dbraw/zinc/40/25/09/387402509.db2.gz YSGWKIQHXFPJOY-UHFFFAOYSA-N 1 2 224.308 1.040 20 0 BDADLO CCCC[N@@H+](C)Cc1nnc2n1CCOC2 ZINC000373908690 387402512 /nfs/dbraw/zinc/40/25/12/387402512.db2.gz YSGWKIQHXFPJOY-UHFFFAOYSA-N 1 2 224.308 1.040 20 0 BDADLO CN(C)c1ncc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000352653242 387417522 /nfs/dbraw/zinc/41/75/22/387417522.db2.gz VMRUUPWKHYGBAA-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1ncc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000352653242 387417527 /nfs/dbraw/zinc/41/75/27/387417527.db2.gz VMRUUPWKHYGBAA-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccoc1 ZINC000355230151 387502009 /nfs/dbraw/zinc/50/20/09/387502009.db2.gz VKQGQWYEPLCFOZ-JTQLQIEISA-N 1 2 233.271 1.224 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000421922730 387505066 /nfs/dbraw/zinc/50/50/66/387505066.db2.gz UNPNYWNFLCLUIK-ZJUUUORDSA-N 1 2 235.331 1.992 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000421922730 387505071 /nfs/dbraw/zinc/50/50/71/387505071.db2.gz UNPNYWNFLCLUIK-ZJUUUORDSA-N 1 2 235.331 1.992 20 0 BDADLO Cn1ccnc1[C@H]1CCC[N@@H+]1Cc1ccno1 ZINC000375032839 387507115 /nfs/dbraw/zinc/50/71/15/387507115.db2.gz SXMJCERXEIGWIO-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1ccnc1[C@H]1CCC[N@H+]1Cc1ccno1 ZINC000375032839 387507119 /nfs/dbraw/zinc/50/71/19/387507119.db2.gz SXMJCERXEIGWIO-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1ccno1 ZINC000375032839 387507123 /nfs/dbraw/zinc/50/71/23/387507123.db2.gz SXMJCERXEIGWIO-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO CC[NH+](CC)Cc1nnnn1C(C)(C)C ZINC000361617643 387510452 /nfs/dbraw/zinc/51/04/52/387510452.db2.gz XDVCEPGOWDTRRR-UHFFFAOYSA-N 1 2 211.313 1.270 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1)c1ncn(C)n1 ZINC000275681465 387512560 /nfs/dbraw/zinc/51/25/60/387512560.db2.gz CCQJYKDKRRTWKP-JTQLQIEISA-N 1 2 216.288 1.666 20 0 BDADLO CC(=O)c1cc(C[NH+]2CCCCC2)on1 ZINC000045929849 387513057 /nfs/dbraw/zinc/51/30/57/387513057.db2.gz IHNUJDBEIIIOAL-UHFFFAOYSA-N 1 2 208.261 1.863 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396929274 387514239 /nfs/dbraw/zinc/51/42/39/387514239.db2.gz WWGUFQQTHYWPNQ-GHMZBOCLSA-N 1 2 243.347 1.731 20 0 BDADLO COC[C@H]1C[N@H+](CC2(F)CC2)C[C@@H](C)O1 ZINC000527234640 387543980 /nfs/dbraw/zinc/54/39/80/387543980.db2.gz NOZMXPWJCUVGJN-NXEZZACHSA-N 1 2 217.284 1.224 20 0 BDADLO COC[C@H]1C[N@@H+](CC2(F)CC2)C[C@@H](C)O1 ZINC000527234640 387543985 /nfs/dbraw/zinc/54/39/85/387543985.db2.gz NOZMXPWJCUVGJN-NXEZZACHSA-N 1 2 217.284 1.224 20 0 BDADLO C[N@H+](Cc1ccn(C(F)F)n1)C1CC(O)C1 ZINC000355370233 387527797 /nfs/dbraw/zinc/52/77/97/387527797.db2.gz PLLWUQKGMYUUGD-UHFFFAOYSA-N 1 2 231.246 1.233 20 0 BDADLO C[N@@H+](Cc1ccn(C(F)F)n1)C1CC(O)C1 ZINC000355370233 387527803 /nfs/dbraw/zinc/52/78/03/387527803.db2.gz PLLWUQKGMYUUGD-UHFFFAOYSA-N 1 2 231.246 1.233 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H](CC)OC)C1CC1 ZINC000397002899 387530726 /nfs/dbraw/zinc/53/07/26/387530726.db2.gz IWPKOZIGMJAEDY-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H](CC)OC)C1CC1 ZINC000397002899 387530730 /nfs/dbraw/zinc/53/07/30/387530730.db2.gz IWPKOZIGMJAEDY-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@@](C)(O)C(C)C)CC2 ZINC000375388907 387536421 /nfs/dbraw/zinc/53/64/21/387536421.db2.gz DJYVJBGAMVUMMM-CYBMUJFWSA-N 1 2 237.347 1.414 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@@](C)(O)C(C)C)CC2 ZINC000375388907 387536425 /nfs/dbraw/zinc/53/64/25/387536425.db2.gz DJYVJBGAMVUMMM-CYBMUJFWSA-N 1 2 237.347 1.414 20 0 BDADLO CSCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000361797450 387536515 /nfs/dbraw/zinc/53/65/15/387536515.db2.gz HHQCDWGZPAYBHW-UHFFFAOYSA-N 1 2 248.355 1.854 20 0 BDADLO C[C@H]1SCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000648689875 387538859 /nfs/dbraw/zinc/53/88/59/387538859.db2.gz VYTURYIRKXFACR-NXEZZACHSA-N 1 2 239.344 1.283 20 0 BDADLO Cc1cc(C)c(CNC(=O)COC(C)C)c[nH+]1 ZINC000397118932 387541867 /nfs/dbraw/zinc/54/18/67/387541867.db2.gz ZCIHNMNPMGKKGP-UHFFFAOYSA-N 1 2 236.315 1.740 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccccn1)CC2 ZINC000374665667 387478705 /nfs/dbraw/zinc/47/87/05/387478705.db2.gz SHXLBGHKIGKHRR-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)CCCF)n1 ZINC000361522845 387478955 /nfs/dbraw/zinc/47/89/55/387478955.db2.gz BXFUGUBAMKOBOQ-MRVPVSSYSA-N 1 2 231.271 1.568 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)CCCF)n1 ZINC000361522845 387478969 /nfs/dbraw/zinc/47/89/69/387478969.db2.gz BXFUGUBAMKOBOQ-MRVPVSSYSA-N 1 2 231.271 1.568 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+](C)CCCF)n1 ZINC000361521010 387479068 /nfs/dbraw/zinc/47/90/68/387479068.db2.gz XEOIIRGHTNYSMS-SECBINFHSA-N 1 2 245.298 1.959 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCF)n1 ZINC000361521010 387479072 /nfs/dbraw/zinc/47/90/72/387479072.db2.gz XEOIIRGHTNYSMS-SECBINFHSA-N 1 2 245.298 1.959 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccco1)CC2 ZINC000374699102 387481876 /nfs/dbraw/zinc/48/18/76/387481876.db2.gz SLVLPDHOXDFXKX-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000336629493 387482158 /nfs/dbraw/zinc/48/21/58/387482158.db2.gz ZDGRWDBZTXHQJG-JTQLQIEISA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000336629493 387482161 /nfs/dbraw/zinc/48/21/61/387482161.db2.gz ZDGRWDBZTXHQJG-JTQLQIEISA-N 1 2 247.342 1.819 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cc[nH]c1C)CC2 ZINC000374695076 387482452 /nfs/dbraw/zinc/48/24/52/387482452.db2.gz RMIDIFLZZAEKQZ-UHFFFAOYSA-N 1 2 244.298 1.484 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1CC=CC1)CC2 ZINC000374696027 387483256 /nfs/dbraw/zinc/48/32/56/387483256.db2.gz VWOFXYCKIFFIJO-UHFFFAOYSA-N 1 2 231.299 1.500 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000374699303 387483584 /nfs/dbraw/zinc/48/35/84/387483584.db2.gz SYYUWVNBRITEOU-SNVBAGLBSA-N 1 2 209.293 1.042 20 0 BDADLO CO[C@H](C)C[N@H+]1CCn2cc(C)nc2C1 ZINC000374699303 387483589 /nfs/dbraw/zinc/48/35/89/387483589.db2.gz SYYUWVNBRITEOU-SNVBAGLBSA-N 1 2 209.293 1.042 20 0 BDADLO Cc1cc(NCCC2(CO)CC2)nc(C(C)C)[nH+]1 ZINC000395853513 387488278 /nfs/dbraw/zinc/48/82/78/387488278.db2.gz NJUWYVDRROUMMU-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)=CC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000516266091 387490738 /nfs/dbraw/zinc/49/07/38/387490738.db2.gz JYTJAJAPFIDQCQ-UHFFFAOYSA-N 1 2 242.273 1.998 20 0 BDADLO CC(C)=CC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000516266091 387490742 /nfs/dbraw/zinc/49/07/42/387490742.db2.gz JYTJAJAPFIDQCQ-UHFFFAOYSA-N 1 2 242.273 1.998 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000361568222 387493223 /nfs/dbraw/zinc/49/32/23/387493223.db2.gz QVDJZNVEEYHSBZ-GARJFASQSA-N 1 2 243.347 1.730 20 0 BDADLO c1coc([C@H]2COCC[N@H+]2C[C@@H]2CCCO2)c1 ZINC000375798722 387584080 /nfs/dbraw/zinc/58/40/80/387584080.db2.gz XDOQFXWZEZUOQW-NWDGAFQWSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@H]2COCC[N@@H+]2C[C@@H]2CCCO2)c1 ZINC000375798722 387584084 /nfs/dbraw/zinc/58/40/84/387584084.db2.gz XDOQFXWZEZUOQW-NWDGAFQWSA-N 1 2 237.299 1.832 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCOCC[C@@H]1C ZINC000362252994 387588835 /nfs/dbraw/zinc/58/88/35/387588835.db2.gz DUJFMLMYFVIRQB-NSHDSACASA-N 1 2 249.314 1.455 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC1(F)CC1 ZINC000527525326 387595788 /nfs/dbraw/zinc/59/57/88/387595788.db2.gz UAXJXSGGWYNBCD-JTQLQIEISA-N 1 2 228.311 1.335 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC1(F)CC1 ZINC000527525326 387595792 /nfs/dbraw/zinc/59/57/92/387595792.db2.gz UAXJXSGGWYNBCD-JTQLQIEISA-N 1 2 228.311 1.335 20 0 BDADLO C[N@@H+](Cc1csnn1)CC1CCOCC1 ZINC000123979419 387601019 /nfs/dbraw/zinc/60/10/19/387601019.db2.gz MQKYZVMDZLRLCH-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1csnn1)CC1CCOCC1 ZINC000123979419 387601025 /nfs/dbraw/zinc/60/10/25/387601025.db2.gz MQKYZVMDZLRLCH-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000376041933 387602221 /nfs/dbraw/zinc/60/22/21/387602221.db2.gz JEQHNCXJFDNFAL-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000376041933 387602226 /nfs/dbraw/zinc/60/22/26/387602226.db2.gz JEQHNCXJFDNFAL-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H](C)CO)o1 ZINC000305423748 387605848 /nfs/dbraw/zinc/60/58/48/387605848.db2.gz AQGHIWXOIVNCMH-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H](C)CO)o1 ZINC000305423748 387605852 /nfs/dbraw/zinc/60/58/52/387605852.db2.gz AQGHIWXOIVNCMH-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cccnc1 ZINC000124114741 387606396 /nfs/dbraw/zinc/60/63/96/387606396.db2.gz IGMNZFIOGGYUME-UHFFFAOYSA-N 1 2 245.286 1.479 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)ccn1 ZINC000527541094 387612990 /nfs/dbraw/zinc/61/29/90/387612990.db2.gz ZVDFMGGSMNKIRR-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)ccn1 ZINC000527541094 387612993 /nfs/dbraw/zinc/61/29/93/387612993.db2.gz ZVDFMGGSMNKIRR-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CCN(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000376294952 387618518 /nfs/dbraw/zinc/61/85/18/387618518.db2.gz VXIOAQNRDNWIRK-NSHDSACASA-N 1 2 236.319 1.592 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC(=O)NCC1(C)C ZINC000528493779 387620010 /nfs/dbraw/zinc/62/00/10/387620010.db2.gz ZVGTZQHRURWFHI-XBXARRHUSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC(=O)NCC1(C)C ZINC000528493779 387620014 /nfs/dbraw/zinc/62/00/14/387620014.db2.gz ZVGTZQHRURWFHI-XBXARRHUSA-N 1 2 216.712 1.339 20 0 BDADLO C(=C/c1ccncc1)\C[NH+]1CC(n2ccnn2)C1 ZINC000426161233 387545160 /nfs/dbraw/zinc/54/51/60/387545160.db2.gz NDNBLVBYPHQEEC-OWOJBTEDSA-N 1 2 241.298 1.243 20 0 BDADLO FCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375548124 387552364 /nfs/dbraw/zinc/55/23/64/387552364.db2.gz YUYOMDCKMDVNML-LLVKDONJSA-N 1 2 234.278 1.843 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@H]3CCOC(=O)[C@H]32)c1 ZINC000375543937 387552619 /nfs/dbraw/zinc/55/26/19/387552619.db2.gz CGYZPDZNBBFYNB-STQMWFEESA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)c1 ZINC000375543937 387552622 /nfs/dbraw/zinc/55/26/22/387552622.db2.gz CGYZPDZNBBFYNB-STQMWFEESA-N 1 2 246.310 1.527 20 0 BDADLO CCOCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426257239 387553239 /nfs/dbraw/zinc/55/32/39/387553239.db2.gz RGNINWMVYRVIBC-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCOCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426257239 387553242 /nfs/dbraw/zinc/55/32/42/387553242.db2.gz RGNINWMVYRVIBC-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO c1cc(C[NH2+]C[C@H]2COc3ccccc3O2)[nH]n1 ZINC000036900190 387557983 /nfs/dbraw/zinc/55/79/83/387557983.db2.gz SHUOIYCAJUNVDU-NSHDSACASA-N 1 2 245.282 1.339 20 0 BDADLO COCC[C@H]([NH2+]Cc1ncc[nH]1)c1ccco1 ZINC000355719415 387571495 /nfs/dbraw/zinc/57/14/95/387571495.db2.gz BPUMKBHUXIDVMP-JTQLQIEISA-N 1 2 235.287 1.870 20 0 BDADLO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1noc(COC)n1 ZINC000356242545 387631841 /nfs/dbraw/zinc/63/18/41/387631841.db2.gz ACWWBYILOOXWAY-ZJUUUORDSA-N 1 2 239.319 1.979 20 0 BDADLO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1noc(COC)n1 ZINC000356242545 387631845 /nfs/dbraw/zinc/63/18/45/387631845.db2.gz ACWWBYILOOXWAY-ZJUUUORDSA-N 1 2 239.319 1.979 20 0 BDADLO Cc1cnn(C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000527536546 387633301 /nfs/dbraw/zinc/63/33/01/387633301.db2.gz QDNDXVAVQFGUAH-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO CCC[C@H](C)[N@H+](C)Cc1noc(COC)n1 ZINC000356250237 387633419 /nfs/dbraw/zinc/63/34/19/387633419.db2.gz DTQIIMVGXIKNOS-VIFPVBQESA-N 1 2 227.308 1.836 20 0 BDADLO CCC[C@H](C)[N@@H+](C)Cc1noc(COC)n1 ZINC000356250237 387633422 /nfs/dbraw/zinc/63/34/22/387633422.db2.gz DTQIIMVGXIKNOS-VIFPVBQESA-N 1 2 227.308 1.836 20 0 BDADLO CC(=O)CC[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527622339 387639902 /nfs/dbraw/zinc/63/99/02/387639902.db2.gz QOSVBXJKCLUMSY-UHFFFAOYSA-N 1 2 247.342 1.937 20 0 BDADLO CC(=O)CC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527622339 387639905 /nfs/dbraw/zinc/63/99/05/387639905.db2.gz QOSVBXJKCLUMSY-UHFFFAOYSA-N 1 2 247.342 1.937 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)ccn1 ZINC000362691171 387650058 /nfs/dbraw/zinc/65/00/58/387650058.db2.gz YQSISZIOQGLWCK-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ccn1 ZINC000362691171 387650064 /nfs/dbraw/zinc/65/00/64/387650064.db2.gz YQSISZIOQGLWCK-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000194290805 387654882 /nfs/dbraw/zinc/65/48/82/387654882.db2.gz ORLLHZRFXAVCFT-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422750336 387655463 /nfs/dbraw/zinc/65/54/63/387655463.db2.gz CTWLYAKQRNDCEE-HZSPNIEDSA-N 1 2 239.407 1.720 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H](C2CC2)C1 ZINC000356447094 387659045 /nfs/dbraw/zinc/65/90/45/387659045.db2.gz RIWSOOOROICACL-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H](C2CC2)C1 ZINC000356447101 387660601 /nfs/dbraw/zinc/66/06/01/387660601.db2.gz RIWSOOOROICACL-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)(C)C[C@@H](O)CC(=O)NCc1c[nH+]c[nH]1 ZINC000362821036 387662779 /nfs/dbraw/zinc/66/27/79/387662779.db2.gz UIYRJHCNVDPBPY-JTQLQIEISA-N 1 2 239.319 1.213 20 0 BDADLO CC(C)(C)C[C@@H](O)CC(=O)NCc1c[nH]c[nH+]1 ZINC000362821036 387662786 /nfs/dbraw/zinc/66/27/86/387662786.db2.gz UIYRJHCNVDPBPY-JTQLQIEISA-N 1 2 239.319 1.213 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncnn2C)ccn1 ZINC000527701245 387665062 /nfs/dbraw/zinc/66/50/62/387665062.db2.gz UUXHDYLLDIDNCD-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000440707438 387674940 /nfs/dbraw/zinc/67/49/40/387674940.db2.gz YHXCDBGKOJMNAU-STQMWFEESA-N 1 2 246.370 1.777 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000440707438 387674947 /nfs/dbraw/zinc/67/49/47/387674947.db2.gz YHXCDBGKOJMNAU-STQMWFEESA-N 1 2 246.370 1.777 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000362949015 387676691 /nfs/dbraw/zinc/67/66/91/387676691.db2.gz LMBBZAMPGUFIHT-JTQLQIEISA-N 1 2 247.298 1.911 20 0 BDADLO CCC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000440717918 387680313 /nfs/dbraw/zinc/68/03/13/387680313.db2.gz YOCDHPQSSPCVKY-UHFFFAOYSA-N 1 2 240.326 1.870 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363014973 387686840 /nfs/dbraw/zinc/68/68/40/387686840.db2.gz RTDOEGHPEVBHFL-WDEREUQCSA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363014973 387686845 /nfs/dbraw/zinc/68/68/45/387686845.db2.gz RTDOEGHPEVBHFL-WDEREUQCSA-N 1 2 249.314 1.218 20 0 BDADLO CCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363096502 387687844 /nfs/dbraw/zinc/68/78/44/387687844.db2.gz WKSDHABHHQTEFK-JTQLQIEISA-N 1 2 221.304 1.362 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000356655226 387689341 /nfs/dbraw/zinc/68/93/41/387689341.db2.gz WXZOOFNMFMUZPJ-UWVGGRQHSA-N 1 2 239.294 1.310 20 0 BDADLO C[C@H](F)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000356664099 387693830 /nfs/dbraw/zinc/69/38/30/387693830.db2.gz ZYPNTYOWJJSYOX-JTQLQIEISA-N 1 2 249.289 1.741 20 0 BDADLO COC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377725942 387743681 /nfs/dbraw/zinc/74/36/81/387743681.db2.gz RLJRGHGISVGZHS-KOLCDFICSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377725942 387743689 /nfs/dbraw/zinc/74/36/89/387743689.db2.gz RLJRGHGISVGZHS-KOLCDFICSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000377771113 387746544 /nfs/dbraw/zinc/74/65/44/387746544.db2.gz DEYQZIAWACLLQD-WCBMZHEXSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000377771113 387746550 /nfs/dbraw/zinc/74/65/50/387746550.db2.gz DEYQZIAWACLLQD-WCBMZHEXSA-N 1 2 248.330 1.365 20 0 BDADLO CC[C@H]1CN(c2[nH+]cccc2OC)CCO1 ZINC000527834939 387747650 /nfs/dbraw/zinc/74/76/50/387747650.db2.gz DUNVUETXHVKMKI-JTQLQIEISA-N 1 2 222.288 1.705 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000367787204 387751667 /nfs/dbraw/zinc/75/16/67/387751667.db2.gz WWPFIIYVJGAYDV-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@H](C)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000367787204 387751672 /nfs/dbraw/zinc/75/16/72/387751672.db2.gz WWPFIIYVJGAYDV-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@H](O)C[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000367773278 387752535 /nfs/dbraw/zinc/75/25/35/387752535.db2.gz SWWZAIKTRHQKPL-LURJTMIESA-N 1 2 247.245 1.357 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)c1ccco1 ZINC000527846141 387753031 /nfs/dbraw/zinc/75/30/31/387753031.db2.gz LMWDKYFFVUFUBS-VIFPVBQESA-N 1 2 234.255 1.829 20 0 BDADLO COC(=O)CCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000363234376 387698589 /nfs/dbraw/zinc/69/85/89/387698589.db2.gz KWZPJSQWBLYYGF-VIFPVBQESA-N 1 2 239.275 1.160 20 0 BDADLO COC(=O)CCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000363234376 387698596 /nfs/dbraw/zinc/69/85/96/387698596.db2.gz KWZPJSQWBLYYGF-VIFPVBQESA-N 1 2 239.275 1.160 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000452034148 387704475 /nfs/dbraw/zinc/70/44/75/387704475.db2.gz DMZSWAFYIWFMCU-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000452034148 387704478 /nfs/dbraw/zinc/70/44/78/387704478.db2.gz DMZSWAFYIWFMCU-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO C[N@H+](Cc1ncnn1CCF)C1CCC1 ZINC000440799022 387706196 /nfs/dbraw/zinc/70/61/96/387706196.db2.gz LJJOUNGAXJJESG-UHFFFAOYSA-N 1 2 212.272 1.232 20 0 BDADLO C[N@@H+](Cc1ncnn1CCF)C1CCC1 ZINC000440799022 387706201 /nfs/dbraw/zinc/70/62/01/387706201.db2.gz LJJOUNGAXJJESG-UHFFFAOYSA-N 1 2 212.272 1.232 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCCC[C@@H]1COC ZINC000452040588 387707331 /nfs/dbraw/zinc/70/73/31/387707331.db2.gz QTCMXZRMGVOALH-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@H+]1CCCC[C@@H]1COC ZINC000452040588 387707337 /nfs/dbraw/zinc/70/73/37/387707337.db2.gz QTCMXZRMGVOALH-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1ncc(COc2cc[nH+]cc2)cn1 ZINC000431502153 387712530 /nfs/dbraw/zinc/71/25/30/387712530.db2.gz LEDSEZYHIFSZQU-UHFFFAOYSA-N 1 2 201.229 1.759 20 0 BDADLO Cc1nccc(COc2cc[nH+]cc2)n1 ZINC000431502818 387713546 /nfs/dbraw/zinc/71/35/46/387713546.db2.gz SARVIQSIXGVYOQ-UHFFFAOYSA-N 1 2 201.229 1.759 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377449983 387718393 /nfs/dbraw/zinc/71/83/93/387718393.db2.gz YIRYZJVXEGTCFW-RKDXNWHRSA-N 1 2 243.270 1.257 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCC[C@@H](C)C1 ZINC000452062862 387719402 /nfs/dbraw/zinc/71/94/02/387719402.db2.gz UPUVIQASUFPJQA-UTLUCORTSA-N 1 2 238.335 1.815 20 0 BDADLO c1cnn(CC[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000377499669 387722894 /nfs/dbraw/zinc/72/28/94/387722894.db2.gz RNDOOTPGUTUALE-JTQLQIEISA-N 1 2 233.275 1.103 20 0 BDADLO c1cnn(CC[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000377499669 387722903 /nfs/dbraw/zinc/72/29/03/387722903.db2.gz RNDOOTPGUTUALE-JTQLQIEISA-N 1 2 233.275 1.103 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000377568289 387729868 /nfs/dbraw/zinc/72/98/68/387729868.db2.gz QGSHMQBCNYOGLN-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cnn(CC[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000377568289 387729870 /nfs/dbraw/zinc/72/98/70/387729870.db2.gz QGSHMQBCNYOGLN-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCO[C@H](C)C2)nn1 ZINC000377650085 387735362 /nfs/dbraw/zinc/73/53/62/387735362.db2.gz NJGYSZKZJLKKFM-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCO[C@H](C)C2)nn1 ZINC000377650085 387735366 /nfs/dbraw/zinc/73/53/66/387735366.db2.gz NJGYSZKZJLKKFM-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2nc(C)ccc2O)n1 ZINC000356887077 387740570 /nfs/dbraw/zinc/74/05/70/387740570.db2.gz ADTWNSBHUZUDCZ-QMMMGPOBSA-N 1 2 248.286 1.638 20 0 BDADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1nncn1C ZINC000356896572 387740789 /nfs/dbraw/zinc/74/07/89/387740789.db2.gz LJGRPMQTVQRPBN-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO CC[C@H]1C[N@H+](CCOCC(F)F)CCO1 ZINC000188722073 387740833 /nfs/dbraw/zinc/74/08/33/387740833.db2.gz SFDLDQPBNZSAMJ-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CC[C@H]1C[N@@H+](CCOCC(F)F)CCO1 ZINC000188722073 387740839 /nfs/dbraw/zinc/74/08/39/387740839.db2.gz SFDLDQPBNZSAMJ-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000367668009 387740816 /nfs/dbraw/zinc/74/08/16/387740816.db2.gz GFHHZAMDNASMOZ-WCFLWFBJSA-N 1 2 246.310 1.566 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cccc(O)c2)n1 ZINC000356893565 387741744 /nfs/dbraw/zinc/74/17/44/387741744.db2.gz LGOANEIQHBJQMW-MRVPVSSYSA-N 1 2 233.271 1.934 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc(F)ccc1C ZINC000129158162 387763861 /nfs/dbraw/zinc/76/38/61/387763861.db2.gz KQOOCECNHQQHBJ-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc(F)ccc1C ZINC000129158162 387763868 /nfs/dbraw/zinc/76/38/68/387763868.db2.gz KQOOCECNHQQHBJ-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO CSCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000378091695 387766182 /nfs/dbraw/zinc/76/61/82/387766182.db2.gz HZOOBKJIKPNUAA-UHFFFAOYSA-N 1 2 239.344 1.369 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H](OC)C1 ZINC000527883156 387771154 /nfs/dbraw/zinc/77/11/54/387771154.db2.gz RIGYUHFBCNVCPG-SNVBAGLBSA-N 1 2 222.288 1.705 20 0 BDADLO CNC(=O)CCN(C)c1[nH+]ccc2ccccc21 ZINC000527881914 387771759 /nfs/dbraw/zinc/77/17/59/387771759.db2.gz RFLBAZULWUSZFA-UHFFFAOYSA-N 1 2 243.310 1.807 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1CC(C)(C)C1 ZINC000526011034 259720532 /nfs/dbraw/zinc/72/05/32/259720532.db2.gz CAVYXSUCSXIGEP-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CCN(C)CC[NH2+]Cc1cc(C(=O)OC)co1 ZINC000130763402 387780930 /nfs/dbraw/zinc/78/09/30/387780930.db2.gz VQEOFMZKMCABJW-UHFFFAOYSA-N 1 2 240.303 1.108 20 0 BDADLO Cc1n[nH]c(C)c1CNc1cccc(CO)[nH+]1 ZINC000432734334 387812764 /nfs/dbraw/zinc/81/27/64/387812764.db2.gz RGMNIYNREASMDV-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO COCc1nc(C[NH+]2CCC3(CC3)CC2)no1 ZINC000378594808 387789326 /nfs/dbraw/zinc/78/93/26/387789326.db2.gz MUNKATODUDDCTR-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO CSCC(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000359895367 387789859 /nfs/dbraw/zinc/78/98/59/387789859.db2.gz HRVRQYCRWMLAJF-VIFPVBQESA-N 1 2 239.344 1.447 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1csnn1)CC2 ZINC000378632141 387791494 /nfs/dbraw/zinc/79/14/94/387791494.db2.gz JEQYSIFHXRXHTA-UHFFFAOYSA-N 1 2 235.316 1.059 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H]([C@H](C)O)C1 ZINC000527932499 387796552 /nfs/dbraw/zinc/79/65/52/387796552.db2.gz DCPYLRXITLEGAH-QWRGUYRKSA-N 1 2 236.315 1.687 20 0 BDADLO CC[C@H]([NH2+]CCCOC(F)F)C(=O)OC ZINC000193608853 387797817 /nfs/dbraw/zinc/79/78/17/387797817.db2.gz UDDABQFHGVPQNH-ZETCQYMHSA-N 1 2 225.235 1.157 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)[nH]n1 ZINC000422991877 387799389 /nfs/dbraw/zinc/79/93/89/387799389.db2.gz QGYDJSZMVKAQFH-NRUUGDAUSA-N 1 2 236.363 1.237 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)n[nH]1 ZINC000422991877 387799396 /nfs/dbraw/zinc/79/93/96/387799396.db2.gz QGYDJSZMVKAQFH-NRUUGDAUSA-N 1 2 236.363 1.237 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC[C@@H]2CC)cn1 ZINC000193760919 387804772 /nfs/dbraw/zinc/80/47/72/387804772.db2.gz UVCLUHSUFBSZHQ-LBPRGKRZSA-N 1 2 221.304 1.594 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC[C@@H]2CC)cn1 ZINC000193760919 387804777 /nfs/dbraw/zinc/80/47/77/387804777.db2.gz UVCLUHSUFBSZHQ-LBPRGKRZSA-N 1 2 221.304 1.594 20 0 BDADLO COCC1(C(=O)Nc2c[nH+]c3n2CCCC3)CC1 ZINC000452332293 387804886 /nfs/dbraw/zinc/80/48/86/387804886.db2.gz GWSZUKRUACPCAM-UHFFFAOYSA-N 1 2 249.314 1.585 20 0 BDADLO COc1ccc[nH+]c1N(C)Cc1cnn(C)c1C ZINC000527992650 387806217 /nfs/dbraw/zinc/80/62/17/387806217.db2.gz ONAXVCMLLDFUMW-UHFFFAOYSA-N 1 2 246.314 1.769 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1cccnc1N ZINC000052728703 387807104 /nfs/dbraw/zinc/80/71/04/387807104.db2.gz WTKNUTSKPHPVDY-UHFFFAOYSA-N 1 2 217.272 1.889 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1cccnc1N ZINC000052728703 387807107 /nfs/dbraw/zinc/80/71/07/387807107.db2.gz WTKNUTSKPHPVDY-UHFFFAOYSA-N 1 2 217.272 1.889 20 0 BDADLO CC[C@@H](NC(=O)c1cnc[nH]1)c1[nH]cc[nH+]1 ZINC000442804444 387843674 /nfs/dbraw/zinc/84/36/74/387843674.db2.gz WOCYNEUSTPXUST-SSDOTTSWSA-N 1 2 219.248 1.014 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061803380 387847363 /nfs/dbraw/zinc/84/73/63/387847363.db2.gz VVDDEZYVHNCASP-PHIMTYICSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061803380 387847366 /nfs/dbraw/zinc/84/73/66/387847366.db2.gz VVDDEZYVHNCASP-PHIMTYICSA-N 1 2 242.363 1.400 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C1CCCC1 ZINC000062367268 387854393 /nfs/dbraw/zinc/85/43/93/387854393.db2.gz VNBOTYXXHUBFCU-UHFFFAOYSA-N 1 2 217.276 1.983 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@@H]1C ZINC000452571836 387862582 /nfs/dbraw/zinc/86/25/82/387862582.db2.gz QBDSULCVWBWKHS-QWRGUYRKSA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)C(C)C ZINC000452574102 387862787 /nfs/dbraw/zinc/86/27/87/387862787.db2.gz MSCWWBAKWCYVQP-SNVBAGLBSA-N 1 2 223.320 1.811 20 0 BDADLO CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000423070516 387871536 /nfs/dbraw/zinc/87/15/36/387871536.db2.gz CYLYFIVCZFSKIJ-QWHCGFSZSA-N 1 2 239.407 1.578 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2ncc[nH]2)cn1 ZINC000309512639 387813822 /nfs/dbraw/zinc/81/38/22/387813822.db2.gz QBIRSHKCVBFANB-UHFFFAOYSA-N 1 2 219.292 1.168 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC1CC=CC1 ZINC000527975709 387815129 /nfs/dbraw/zinc/81/51/29/387815129.db2.gz FFIOWIKCHAWTRI-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](C)[C@@H](OC)C1 ZINC000527976584 387816057 /nfs/dbraw/zinc/81/60/57/387816057.db2.gz DGWFGDNCMFUJTE-PWSUYJOCSA-N 1 2 236.315 1.951 20 0 BDADLO CC(C)n1c[nH+]cc1CNC(CF)CF ZINC000424180750 387893396 /nfs/dbraw/zinc/89/33/96/387893396.db2.gz PJWHTAGFEOMPPY-UHFFFAOYSA-N 1 2 217.263 1.861 20 0 BDADLO CCCC[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528336858 387895655 /nfs/dbraw/zinc/89/56/55/387895655.db2.gz HNSWXXYXWIQBDY-UHFFFAOYSA-N 1 2 245.344 1.915 20 0 BDADLO CCCC[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528336858 387895658 /nfs/dbraw/zinc/89/56/58/387895658.db2.gz HNSWXXYXWIQBDY-UHFFFAOYSA-N 1 2 245.344 1.915 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)CCOCC ZINC000444626015 387896464 /nfs/dbraw/zinc/89/64/64/387896464.db2.gz LGNTWRBUIKARSQ-JTQLQIEISA-N 1 2 239.306 1.751 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)CCOCC ZINC000444626015 387896467 /nfs/dbraw/zinc/89/64/67/387896467.db2.gz LGNTWRBUIKARSQ-JTQLQIEISA-N 1 2 239.306 1.751 20 0 BDADLO C[C@@H]1CC[C@@H](c2noc(CCn3cc[nH+]c3)n2)O1 ZINC000528245576 387877124 /nfs/dbraw/zinc/87/71/24/387877124.db2.gz TWBAUPBJSOEYKQ-ZJUUUORDSA-N 1 2 248.286 1.749 20 0 BDADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)CC=CCC1 ZINC000448695508 387877815 /nfs/dbraw/zinc/87/78/15/387877815.db2.gz XUEFBCZYMNNTIG-CYBMUJFWSA-N 1 2 233.315 1.746 20 0 BDADLO CCc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)cc1 ZINC000194425982 387882332 /nfs/dbraw/zinc/88/23/32/387882332.db2.gz QGULYEPJIARTQD-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO Nc1ccc(NC(=O)CC[C@@H]2CCOC2)c[nH+]1 ZINC000151666080 387909980 /nfs/dbraw/zinc/90/99/80/387909980.db2.gz FSRZTJHHAZXYPT-SECBINFHSA-N 1 2 235.287 1.419 20 0 BDADLO C[C@H]1CC[N@H+](Cc2coc(S(C)(=O)=O)c2)C1 ZINC000528362032 387911545 /nfs/dbraw/zinc/91/15/45/387911545.db2.gz CLKKEGATLXQDGV-VIFPVBQESA-N 1 2 243.328 1.525 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2coc(S(C)(=O)=O)c2)C1 ZINC000528362032 387911550 /nfs/dbraw/zinc/91/15/50/387911550.db2.gz CLKKEGATLXQDGV-VIFPVBQESA-N 1 2 243.328 1.525 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)nn1 ZINC000444703438 387914046 /nfs/dbraw/zinc/91/40/46/387914046.db2.gz KSGSROUQXRSYTF-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)nn1 ZINC000444703438 387914047 /nfs/dbraw/zinc/91/40/47/387914047.db2.gz KSGSROUQXRSYTF-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO C[N@H+](CCC[C@@H]1CCOC1)CC(F)F ZINC000645792379 387915672 /nfs/dbraw/zinc/91/56/72/387915672.db2.gz RFJHXUMQVCJGAK-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO C[N@@H+](CCC[C@@H]1CCOC1)CC(F)F ZINC000645792379 387915677 /nfs/dbraw/zinc/91/56/77/387915677.db2.gz RFJHXUMQVCJGAK-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccnn1C ZINC000195239511 387916415 /nfs/dbraw/zinc/91/64/15/387916415.db2.gz LFJGBABOSVXJAL-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)[C@@H](C)[C@@H](C)O1 ZINC000438377959 387930424 /nfs/dbraw/zinc/93/04/24/387930424.db2.gz VRBRMEYRDSPZRI-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)[C@@H](C)[C@@H](C)O1 ZINC000438377959 387930426 /nfs/dbraw/zinc/93/04/26/387930426.db2.gz VRBRMEYRDSPZRI-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)[C@@H](C)O1 ZINC000438377959 387930429 /nfs/dbraw/zinc/93/04/29/387930429.db2.gz VRBRMEYRDSPZRI-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438378562 387931324 /nfs/dbraw/zinc/93/13/24/387931324.db2.gz YZDIYYRTTFOLFJ-TUAOUCFPSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438378562 387931328 /nfs/dbraw/zinc/93/13/28/387931328.db2.gz YZDIYYRTTFOLFJ-TUAOUCFPSA-N 1 2 237.347 1.901 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000424217760 387935331 /nfs/dbraw/zinc/93/53/31/387935331.db2.gz NXVNJNFSOMXDHI-AEJSXWLSSA-N 1 2 244.285 1.288 20 0 BDADLO COC1C[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000238815621 387935890 /nfs/dbraw/zinc/93/58/90/387935890.db2.gz BJWWLDCUHOHTMQ-UHFFFAOYSA-N 1 2 219.284 1.452 20 0 BDADLO CO[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1OC ZINC000487078711 387921347 /nfs/dbraw/zinc/92/13/47/387921347.db2.gz ACTSQKZEKFXGJC-VXGBXAGGSA-N 1 2 247.298 1.413 20 0 BDADLO Cc1nc(N2CCC[C@@H]([C@H](C)O)C2)cc[nH+]1 ZINC000533007305 387923399 /nfs/dbraw/zinc/92/33/99/387923399.db2.gz YNMHWWIGSNLRRR-GXSJLCMTSA-N 1 2 221.304 1.382 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@H](C)[C@@H](C)O1 ZINC000438353785 387928685 /nfs/dbraw/zinc/92/86/85/387928685.db2.gz NUDKTCSCZHEAIT-OPRDCNLKSA-N 1 2 209.293 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)[C@@H](C)O1 ZINC000438353785 387928688 /nfs/dbraw/zinc/92/86/88/387928688.db2.gz NUDKTCSCZHEAIT-OPRDCNLKSA-N 1 2 209.293 1.407 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000245537319 387955695 /nfs/dbraw/zinc/95/56/95/387955695.db2.gz IVPDIWWVBWUTMH-ZJUUUORDSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000245537319 387955699 /nfs/dbraw/zinc/95/56/99/387955699.db2.gz IVPDIWWVBWUTMH-ZJUUUORDSA-N 1 2 223.320 1.338 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000438574181 387944999 /nfs/dbraw/zinc/94/49/99/387944999.db2.gz CHFNSIXHIWBKLX-OUAUKWLOSA-N 1 2 233.315 1.218 20 0 BDADLO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ncccc1O ZINC000514691402 387963225 /nfs/dbraw/zinc/96/32/25/387963225.db2.gz HUASLTCETLLBAB-CYBMUJFWSA-N 1 2 249.358 1.559 20 0 BDADLO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ncccc1O ZINC000514691402 387963226 /nfs/dbraw/zinc/96/32/26/387963226.db2.gz HUASLTCETLLBAB-CYBMUJFWSA-N 1 2 249.358 1.559 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)NCCCn1cc[nH+]c1 ZINC000525909713 387957644 /nfs/dbraw/zinc/95/76/44/387957644.db2.gz KSKDMGYIJZWLMI-PHIMTYICSA-N 1 2 236.319 1.466 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC[C@@H]1CCOC1 ZINC000645880595 387957798 /nfs/dbraw/zinc/95/77/98/387957798.db2.gz SEDVJBMQWKGYOU-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC[C@@H]1CCOC1 ZINC000645880595 387957801 /nfs/dbraw/zinc/95/78/01/387957801.db2.gz SEDVJBMQWKGYOU-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245737092 387979063 /nfs/dbraw/zinc/97/90/63/387979063.db2.gz LAVQHJZRPIAZLH-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245737092 387979067 /nfs/dbraw/zinc/97/90/67/387979067.db2.gz LAVQHJZRPIAZLH-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO CCn1nccc1CN(C)c1cc[nH+]c(C)n1 ZINC000439128400 387981037 /nfs/dbraw/zinc/98/10/37/387981037.db2.gz NKRWOBOEASZNAG-UHFFFAOYSA-N 1 2 231.303 1.638 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000446060421 387988126 /nfs/dbraw/zinc/98/81/26/387988126.db2.gz IJVHSMQXUUJZOK-WOPDTQHZSA-N 1 2 242.363 1.351 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000446060421 387988128 /nfs/dbraw/zinc/98/81/28/387988128.db2.gz IJVHSMQXUUJZOK-WOPDTQHZSA-N 1 2 242.363 1.351 20 0 BDADLO CC1(C)CCCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000446070826 387992900 /nfs/dbraw/zinc/99/29/00/387992900.db2.gz NWBHJTWUDCQJLR-UHFFFAOYSA-N 1 2 224.308 1.522 20 0 BDADLO CC1(C)CCCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000446070826 387992902 /nfs/dbraw/zinc/99/29/02/387992902.db2.gz NWBHJTWUDCQJLR-UHFFFAOYSA-N 1 2 224.308 1.522 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446071277 387993217 /nfs/dbraw/zinc/99/32/17/387993217.db2.gz JCFQXWIAZZVFDK-QJPTWQEYSA-N 1 2 242.363 1.353 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446071277 387993220 /nfs/dbraw/zinc/99/32/20/387993220.db2.gz JCFQXWIAZZVFDK-QJPTWQEYSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000245936183 387994880 /nfs/dbraw/zinc/99/48/80/387994880.db2.gz ZLQFKNNUQLNWBJ-DTWKUNHWSA-N 1 2 227.308 1.567 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000245936183 387994884 /nfs/dbraw/zinc/99/48/84/387994884.db2.gz ZLQFKNNUQLNWBJ-DTWKUNHWSA-N 1 2 227.308 1.567 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@@H](C)[C@H](C)O1 ZINC000446071758 387995226 /nfs/dbraw/zinc/99/52/26/387995226.db2.gz RHLYUKKODORDMK-VWYCJHECSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@@H](C)[C@H](C)O1 ZINC000446071758 387995228 /nfs/dbraw/zinc/99/52/28/387995228.db2.gz RHLYUKKODORDMK-VWYCJHECSA-N 1 2 242.363 1.399 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)no1 ZINC000439293189 387987049 /nfs/dbraw/zinc/98/70/49/387987049.db2.gz CKIMSQBMOZCABU-MGCOHNPYSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)no1 ZINC000439293189 387987053 /nfs/dbraw/zinc/98/70/53/387987053.db2.gz CKIMSQBMOZCABU-MGCOHNPYSA-N 1 2 239.319 1.367 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446084819 387999651 /nfs/dbraw/zinc/99/96/51/387999651.db2.gz UTPFJBRYPWQQOM-FIQHERPVSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446084819 387999656 /nfs/dbraw/zinc/99/96/56/387999656.db2.gz UTPFJBRYPWQQOM-FIQHERPVSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754885 388009216 /nfs/dbraw/zinc/00/92/16/388009216.db2.gz UZXGPDHLLJCWQN-YIZRAAEISA-N 1 2 221.308 1.552 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754885 388009220 /nfs/dbraw/zinc/00/92/20/388009220.db2.gz UZXGPDHLLJCWQN-YIZRAAEISA-N 1 2 221.308 1.552 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1ccoc1 ZINC000439930385 388025082 /nfs/dbraw/zinc/02/50/82/388025082.db2.gz HXAASDBQOJBSOB-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO Cc1c(C(=O)Nc2ccc(C)[nH+]c2C)nnn1C ZINC000446437893 388021631 /nfs/dbraw/zinc/02/16/31/388021631.db2.gz DGHFBKHYOLHHKW-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2C)C[C@@H](C)O1 ZINC000246306612 388030676 /nfs/dbraw/zinc/03/06/76/388030676.db2.gz CFCAVPWEBNNWBD-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2C)C[C@@H](C)O1 ZINC000246306612 388030678 /nfs/dbraw/zinc/03/06/78/388030678.db2.gz CFCAVPWEBNNWBD-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000440522069 388050832 /nfs/dbraw/zinc/05/08/32/388050832.db2.gz DGQKQSWZYAQVSK-UWVGGRQHSA-N 1 2 232.343 1.970 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000440522069 388050834 /nfs/dbraw/zinc/05/08/34/388050834.db2.gz DGQKQSWZYAQVSK-UWVGGRQHSA-N 1 2 232.343 1.970 20 0 BDADLO c1cn(CCNc2ccc3nccnc3n2)c[nH+]1 ZINC000083419872 388051594 /nfs/dbraw/zinc/05/15/94/388051594.db2.gz MSBUPQUDSUQADE-UHFFFAOYSA-N 1 2 240.270 1.333 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000440693597 388066901 /nfs/dbraw/zinc/06/69/01/388066901.db2.gz ORAHMOTUSZFXTL-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](F)C[N@H+]1CCCC[C@H]1C(=O)OC ZINC000440693597 388066906 /nfs/dbraw/zinc/06/69/06/388066906.db2.gz ORAHMOTUSZFXTL-UWVGGRQHSA-N 1 2 217.284 1.762 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423284782 388067660 /nfs/dbraw/zinc/06/76/60/388067660.db2.gz YKFDXECHHUAANG-MRTMQBJTSA-N 1 2 239.344 1.448 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1csc(C)n1)C(=O)NC ZINC000453409192 388076313 /nfs/dbraw/zinc/07/63/13/388076313.db2.gz QXXFJPMXDDBKQI-APPZFPTMSA-N 1 2 241.360 1.627 20 0 BDADLO Cc1ccccc1C1([NH2+]Cc2n[nH]c(=O)[nH]2)CC1 ZINC000645980439 388115001 /nfs/dbraw/zinc/11/50/01/388115001.db2.gz HREBSFWYTLYVOP-UHFFFAOYSA-N 1 2 244.298 1.598 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CCOCC ZINC000447888457 388100533 /nfs/dbraw/zinc/10/05/33/388100533.db2.gz KMJRRBUOYXXSNN-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CCOCC ZINC000447888457 388100535 /nfs/dbraw/zinc/10/05/35/388100535.db2.gz KMJRRBUOYXXSNN-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO Fc1cnc(NCc2ccn3cc[nH+]c3c2)nc1 ZINC000446975795 388045954 /nfs/dbraw/zinc/04/59/54/388045954.db2.gz SPGWSPFSSRWHAK-UHFFFAOYSA-N 1 2 243.245 1.297 20 0 BDADLO CC[C@@H](F)C[N@H+](CCO)Cc1cnn(CC)c1 ZINC000440515592 388048534 /nfs/dbraw/zinc/04/85/34/388048534.db2.gz RSUKNZSNRMXYTG-GFCCVEGCSA-N 1 2 243.326 1.445 20 0 BDADLO CC[C@@H](F)C[N@@H+](CCO)Cc1cnn(CC)c1 ZINC000440515592 388048536 /nfs/dbraw/zinc/04/85/36/388048536.db2.gz RSUKNZSNRMXYTG-GFCCVEGCSA-N 1 2 243.326 1.445 20 0 BDADLO O=C(CC[C@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000646257124 388171042 /nfs/dbraw/zinc/17/10/42/388171042.db2.gz UAGBIOWYZNUOOX-SNVBAGLBSA-N 1 2 249.314 1.254 20 0 BDADLO O=C(CC[C@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000646257124 388171043 /nfs/dbraw/zinc/17/10/43/388171043.db2.gz UAGBIOWYZNUOOX-SNVBAGLBSA-N 1 2 249.314 1.254 20 0 BDADLO COC[C@@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OC ZINC000488529079 388184784 /nfs/dbraw/zinc/18/47/84/388184784.db2.gz BRZYMQDSZIVDPB-LLVKDONJSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000448956413 388123187 /nfs/dbraw/zinc/12/31/87/388123187.db2.gz ZWGAKJSQDWMZRN-ZWNOBZJWSA-N 1 2 235.331 1.895 20 0 BDADLO CNC(=O)[C@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000171987207 388137014 /nfs/dbraw/zinc/13/70/14/388137014.db2.gz XTUZTCJMFHKVCS-SNVBAGLBSA-N 1 2 248.330 1.315 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC[C@H](C)F ZINC000455031259 388145314 /nfs/dbraw/zinc/14/53/14/388145314.db2.gz ASXBIFDZGZUZLL-VIFPVBQESA-N 1 2 242.298 1.450 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnn(C)c2)s1 ZINC000164839037 388248560 /nfs/dbraw/zinc/24/85/60/388248560.db2.gz BHDGSVSTVBIQJK-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC000449393664 388193413 /nfs/dbraw/zinc/19/34/13/388193413.db2.gz MNGZRQZQKOCLNB-QMMMGPOBSA-N 1 2 211.240 1.029 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@H](F)C2)n1 ZINC000449393664 388193414 /nfs/dbraw/zinc/19/34/14/388193414.db2.gz MNGZRQZQKOCLNB-QMMMGPOBSA-N 1 2 211.240 1.029 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)SC ZINC000456385738 388198549 /nfs/dbraw/zinc/19/85/49/388198549.db2.gz MJUKZBUEGGVPJP-RKDXNWHRSA-N 1 2 241.360 1.832 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC000456399097 388199608 /nfs/dbraw/zinc/19/96/08/388199608.db2.gz UMVFOOZTWMHGSY-QMMMGPOBSA-N 1 2 247.302 1.426 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1ccncn1 ZINC000489013433 388202291 /nfs/dbraw/zinc/20/22/91/388202291.db2.gz OAABKQLYOURSTP-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO CC[N@H+](Cc1cn(C(C)C)nc1C)C1COC1 ZINC000449428627 388202753 /nfs/dbraw/zinc/20/27/53/388202753.db2.gz VUWMDOVFPSLNEL-UHFFFAOYSA-N 1 2 237.347 1.993 20 0 BDADLO CC[N@@H+](Cc1cn(C(C)C)nc1C)C1COC1 ZINC000449428627 388202754 /nfs/dbraw/zinc/20/27/54/388202754.db2.gz VUWMDOVFPSLNEL-UHFFFAOYSA-N 1 2 237.347 1.993 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000489414042 388212202 /nfs/dbraw/zinc/21/22/02/388212202.db2.gz PKZQOQDZEFKOLF-SNVBAGLBSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C)(C)C(C)(C)O)c[nH+]1 ZINC000456837172 388226210 /nfs/dbraw/zinc/22/62/10/388226210.db2.gz NVTYQQAZAYOSOA-UHFFFAOYSA-N 1 2 239.319 1.245 20 0 BDADLO O[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CC12CC2 ZINC000489891385 388227133 /nfs/dbraw/zinc/22/71/33/388227133.db2.gz UFWCCODAGOYYPZ-SNVBAGLBSA-N 1 2 231.299 1.315 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000489970382 388230167 /nfs/dbraw/zinc/23/01/67/388230167.db2.gz YETVDIXLCGYONH-IUCAKERBSA-N 1 2 235.335 1.338 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@@H](C)C2)[nH+]1 ZINC000489970382 388230168 /nfs/dbraw/zinc/23/01/68/388230168.db2.gz YETVDIXLCGYONH-IUCAKERBSA-N 1 2 235.335 1.338 20 0 BDADLO Cc1nc(N2CC[C@H]3CCC[C@H]32)nc(N(C)C)[nH+]1 ZINC000490037304 388231065 /nfs/dbraw/zinc/23/10/65/388231065.db2.gz XYCURZIWAVPVCC-GHMZBOCLSA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H]3CCC[C@H]32)[nH+]1 ZINC000490037304 388231066 /nfs/dbraw/zinc/23/10/66/388231066.db2.gz XYCURZIWAVPVCC-GHMZBOCLSA-N 1 2 247.346 1.625 20 0 BDADLO CC[C@]1(O)CCN(c2cc[nH+]c(C)n2)C1 ZINC000490074461 388233287 /nfs/dbraw/zinc/23/32/87/388233287.db2.gz JCTSVGGSXFOPFC-NSHDSACASA-N 1 2 207.277 1.136 20 0 BDADLO CCO[C@@H]1CCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000456922062 388233459 /nfs/dbraw/zinc/23/34/59/388233459.db2.gz GMGHVDKBHSMDAK-MWLCHTKSSA-N 1 2 237.303 1.406 20 0 BDADLO COC(=O)c1n[nH]c2c1C[N@H+](CC=C(C)C)CC2 ZINC000449564713 388234101 /nfs/dbraw/zinc/23/41/01/388234101.db2.gz GNSHVUYBOCUCNY-UHFFFAOYSA-N 1 2 249.314 1.521 20 0 BDADLO COC(=O)c1n[nH]c2c1C[N@@H+](CC=C(C)C)CC2 ZINC000449564713 388234103 /nfs/dbraw/zinc/23/41/03/388234103.db2.gz GNSHVUYBOCUCNY-UHFFFAOYSA-N 1 2 249.314 1.521 20 0 BDADLO Cc1nc(N(C)[C@H](C)C2(C)CC2)nc(N(C)C)[nH+]1 ZINC000490127441 388235052 /nfs/dbraw/zinc/23/50/52/388235052.db2.gz VPYHDNTVYVLVDS-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@H](C)C2(C)CC2)[nH+]1 ZINC000490127441 388235055 /nfs/dbraw/zinc/23/50/55/388235055.db2.gz VPYHDNTVYVLVDS-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N2C[C@H]3CCC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000490139923 388235610 /nfs/dbraw/zinc/23/56/10/388235610.db2.gz PODNQRCHCDNHLE-GHMZBOCLSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H]3CCC[C@@H]3C2)[nH+]1 ZINC000490139923 388235612 /nfs/dbraw/zinc/23/56/12/388235612.db2.gz PODNQRCHCDNHLE-GHMZBOCLSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N2[C@H](C)CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000490119285 388235639 /nfs/dbraw/zinc/23/56/39/388235639.db2.gz KYEXHIAMCZLFHW-RKDXNWHRSA-N 1 2 235.335 1.623 20 0 BDADLO Cc1nc(N(C)C)nc(N2[C@H](C)CC[C@H]2C)[nH+]1 ZINC000490119285 388235641 /nfs/dbraw/zinc/23/56/41/388235641.db2.gz KYEXHIAMCZLFHW-RKDXNWHRSA-N 1 2 235.335 1.623 20 0 BDADLO C/C=C/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000490577970 388240905 /nfs/dbraw/zinc/24/09/05/388240905.db2.gz WANYQXMCYIDTGF-ZPYFUIHZSA-N 1 2 219.288 1.522 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)no1 ZINC000459444084 388244711 /nfs/dbraw/zinc/24/47/11/388244711.db2.gz LTFCEDPFJDIHGZ-LLVKDONJSA-N 1 2 237.303 1.082 20 0 BDADLO COC(=O)C1([NH2+][C@H]2C=CCCC2)CCOCC1 ZINC000451754033 388293127 /nfs/dbraw/zinc/29/31/27/388293127.db2.gz CUBILLOXFHEBHK-NSHDSACASA-N 1 2 239.315 1.407 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)CC1CC(F)(F)C1 ZINC000451847284 388300293 /nfs/dbraw/zinc/30/02/93/388300293.db2.gz ZMIQEHUBJYJFCC-ZETCQYMHSA-N 1 2 243.244 1.980 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)CC1CC(F)(F)C1 ZINC000451847284 388300294 /nfs/dbraw/zinc/30/02/94/388300294.db2.gz ZMIQEHUBJYJFCC-ZETCQYMHSA-N 1 2 243.244 1.980 20 0 BDADLO O=C(/C=C/C1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000491896157 388326668 /nfs/dbraw/zinc/32/66/68/388326668.db2.gz RWQZDLRGTOLURK-OWOJBTEDSA-N 1 2 235.287 1.009 20 0 BDADLO O=C(C=CC1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000491896157 388326669 /nfs/dbraw/zinc/32/66/69/388326669.db2.gz RWQZDLRGTOLURK-OWOJBTEDSA-N 1 2 235.287 1.009 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000451375142 388267211 /nfs/dbraw/zinc/26/72/11/388267211.db2.gz KEUQWVPEVTWVSX-UHFFFAOYSA-N 1 2 249.358 1.818 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451375142 388267213 /nfs/dbraw/zinc/26/72/13/388267213.db2.gz KEUQWVPEVTWVSX-UHFFFAOYSA-N 1 2 249.358 1.818 20 0 BDADLO C/C=C/C=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000491248746 388279719 /nfs/dbraw/zinc/27/97/19/388279719.db2.gz FIPVZEJIZQNMHN-TYGHSQKFSA-N 1 2 219.288 1.520 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@@H]1CCOC1 ZINC000492404777 388343666 /nfs/dbraw/zinc/34/36/66/388343666.db2.gz AGUUXYZBBCGQDX-DOGVGXBMSA-N 1 2 249.314 1.164 20 0 BDADLO CCN(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492410715 388343722 /nfs/dbraw/zinc/34/37/22/388343722.db2.gz RXWXRNFBMXGZNX-SREVYHEPSA-N 1 2 207.277 1.395 20 0 BDADLO CO[C@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000276048783 388347078 /nfs/dbraw/zinc/34/70/78/388347078.db2.gz OPIGLCQUCDPLOT-MRVPVSSYSA-N 1 2 207.277 1.801 20 0 BDADLO C[C@H]([NH2+]Cc1ccsc1)c1ncnn1C ZINC000276777675 388350955 /nfs/dbraw/zinc/35/09/55/388350955.db2.gz WPOJZZSFCJCVBB-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ncn(C)n1 ZINC000278375397 388355128 /nfs/dbraw/zinc/35/51/28/388355128.db2.gz LBFKWGYDMPUIRD-VHSXEESVSA-N 1 2 222.292 1.158 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000235475086 388370728 /nfs/dbraw/zinc/37/07/28/388370728.db2.gz QQWJUXWEQQBPTR-RITPCOANSA-N 1 2 230.699 1.141 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000235475086 388370730 /nfs/dbraw/zinc/37/07/30/388370730.db2.gz QQWJUXWEQQBPTR-RITPCOANSA-N 1 2 230.699 1.141 20 0 BDADLO Nc1[nH+]cnc(N2CCSCC2)c1Cl ZINC000227848297 388371454 /nfs/dbraw/zinc/37/14/54/388371454.db2.gz UBMZBRJIJLFRTJ-UHFFFAOYSA-N 1 2 230.724 1.265 20 0 BDADLO Nc1nc[nH+]c(N2CCSCC2)c1Cl ZINC000227848297 388371456 /nfs/dbraw/zinc/37/14/56/388371456.db2.gz UBMZBRJIJLFRTJ-UHFFFAOYSA-N 1 2 230.724 1.265 20 0 BDADLO CC1(C)CN(c2nc[nH+]c(N)c2Cl)CCO1 ZINC000227848184 388371742 /nfs/dbraw/zinc/37/17/42/388371742.db2.gz MYFJKRNMOSTLRE-UHFFFAOYSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000648800808 388372978 /nfs/dbraw/zinc/37/29/78/388372978.db2.gz TZTGZJWQPAOZQL-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ncc(Cl)s1 ZINC000648800808 388372982 /nfs/dbraw/zinc/37/29/82/388372982.db2.gz TZTGZJWQPAOZQL-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO CC(F)(F)CCC(=O)NCCn1cc[nH+]c1 ZINC000642661194 388377851 /nfs/dbraw/zinc/37/78/51/388377851.db2.gz ITQAFXHQWSMSBD-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO CO[C@H](C[NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000292969307 388385602 /nfs/dbraw/zinc/38/56/02/388385602.db2.gz KEBWBUKEARSSEW-LLVKDONJSA-N 1 2 209.293 1.233 20 0 BDADLO Cc1cc(NC[C@@]2(O)CCC[C@@H]2C)nc[nH+]1 ZINC000328194207 388406128 /nfs/dbraw/zinc/40/61/28/388406128.db2.gz QYEFVXBOPLYAPJ-CABZTGNLSA-N 1 2 221.304 1.748 20 0 BDADLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccccn1 ZINC000646611399 388394989 /nfs/dbraw/zinc/39/49/89/388394989.db2.gz ZEEGZGAGDVFCTC-NSHDSACASA-N 1 2 247.342 1.601 20 0 BDADLO C/C=C(/C=C\C(=O)NCCc1[nH]cc[nH+]1)CC ZINC000492170518 388337408 /nfs/dbraw/zinc/33/74/08/388337408.db2.gz PLWAZORQDODQFM-YOYJXUCXSA-N 1 2 233.315 1.981 20 0 BDADLO Cn1cc(N2CC[NH+](CC3(F)CC3)CC2)cn1 ZINC000525979021 388443087 /nfs/dbraw/zinc/44/30/87/388443087.db2.gz UELVKIVLEULQSN-UHFFFAOYSA-N 1 2 238.310 1.044 20 0 BDADLO CC(C)N(CC1CC1)C(=O)CCc1c[nH+]cn1C ZINC000525989036 388451743 /nfs/dbraw/zinc/45/17/43/388451743.db2.gz PNUOVZXBBUFOCI-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO COc1cccc(C[NH2+]Cc2ncccc2F)n1 ZINC000525997948 388453995 /nfs/dbraw/zinc/45/39/95/388453995.db2.gz DWVQNRBAUUBANC-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO C[N@H+](CCO)Cc1ccsc1Cl ZINC000336634774 388458948 /nfs/dbraw/zinc/45/89/48/388458948.db2.gz HPNQQIUTQBABHJ-UHFFFAOYSA-N 1 2 205.710 1.826 20 0 BDADLO C[N@@H+](CCO)Cc1ccsc1Cl ZINC000336634774 388458950 /nfs/dbraw/zinc/45/89/50/388458950.db2.gz HPNQQIUTQBABHJ-UHFFFAOYSA-N 1 2 205.710 1.826 20 0 BDADLO CC(C)C1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649215310 388459471 /nfs/dbraw/zinc/45/94/71/388459471.db2.gz AVIYHJYOCSVBRX-NSHDSACASA-N 1 2 247.342 1.560 20 0 BDADLO CC[N@H+](CCOC)Cc1nccs1 ZINC000336658780 388460465 /nfs/dbraw/zinc/46/04/65/388460465.db2.gz SMQYDVNOBXTJGH-UHFFFAOYSA-N 1 2 200.307 1.611 20 0 BDADLO CC[N@@H+](CCOC)Cc1nccs1 ZINC000336658780 388460466 /nfs/dbraw/zinc/46/04/66/388460466.db2.gz SMQYDVNOBXTJGH-UHFFFAOYSA-N 1 2 200.307 1.611 20 0 BDADLO CC[N@H+](C)Cc1ncc(COC)s1 ZINC000336658772 388460647 /nfs/dbraw/zinc/46/06/47/388460647.db2.gz SLRKCNJSRUSNMV-UHFFFAOYSA-N 1 2 200.307 1.741 20 0 BDADLO CC[N@@H+](C)Cc1ncc(COC)s1 ZINC000336658772 388460650 /nfs/dbraw/zinc/46/06/50/388460650.db2.gz SLRKCNJSRUSNMV-UHFFFAOYSA-N 1 2 200.307 1.741 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649226442 388462895 /nfs/dbraw/zinc/46/28/95/388462895.db2.gz WTPFZADCGYGYGS-WOPDTQHZSA-N 1 2 247.342 1.608 20 0 BDADLO CCCCS(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000075581198 388463555 /nfs/dbraw/zinc/46/35/55/388463555.db2.gz JTRPHEGNQOAWIF-UHFFFAOYSA-N 1 2 248.392 1.142 20 0 BDADLO C[C@@H](N(C)c1[nH+]cnc2c1cnn2C)C1(C)CC1 ZINC000176856310 388463988 /nfs/dbraw/zinc/46/39/88/388463988.db2.gz YZARMIMWFATOAC-SECBINFHSA-N 1 2 245.330 1.988 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000515499257 256749305 /nfs/dbraw/zinc/74/93/05/256749305.db2.gz DHGMFVOPJDNOEE-ZJUUUORDSA-N 1 2 236.319 1.939 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CC23CC3)c(C)c[nH+]1 ZINC000516053770 388470671 /nfs/dbraw/zinc/47/06/71/388470671.db2.gz ONMPBJHXGNWEOI-LLVKDONJSA-N 1 2 231.299 1.794 20 0 BDADLO C[C@H](CO[C@@H]1CCOC1)Nc1cccc[nH+]1 ZINC000133831589 388471619 /nfs/dbraw/zinc/47/16/19/388471619.db2.gz QBEFYAJXMXNQQV-GHMZBOCLSA-N 1 2 222.288 1.688 20 0 BDADLO CC(C)c1nc(N2CCC(C)(O)CC2)cc[nH+]1 ZINC000177067520 388474846 /nfs/dbraw/zinc/47/48/46/388474846.db2.gz DYVALEWSPYHYSZ-UHFFFAOYSA-N 1 2 235.331 1.951 20 0 BDADLO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)nc1 ZINC000338962379 388478385 /nfs/dbraw/zinc/47/83/85/388478385.db2.gz GVPMMDARJXHEEM-CYBMUJFWSA-N 1 2 248.326 1.781 20 0 BDADLO CCc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)nc1 ZINC000338962379 388478389 /nfs/dbraw/zinc/47/83/89/388478389.db2.gz GVPMMDARJXHEEM-CYBMUJFWSA-N 1 2 248.326 1.781 20 0 BDADLO CC(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC000194108393 388478321 /nfs/dbraw/zinc/47/83/21/388478321.db2.gz ZNEYVAZGVRRLMH-UHFFFAOYSA-N 1 2 233.319 1.846 20 0 BDADLO CCn1nc(C)c(CNc2cc[nH+]c(C)n2)c1C ZINC000525193194 388419292 /nfs/dbraw/zinc/41/92/92/388419292.db2.gz RCEUUMJAXWVOGL-UHFFFAOYSA-N 1 2 245.330 1.652 20 0 BDADLO CN(C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C1CC1 ZINC000573125890 388421943 /nfs/dbraw/zinc/42/19/43/388421943.db2.gz YRSZUANQKDUVNF-NSHDSACASA-N 1 2 248.330 1.675 20 0 BDADLO CCc1cnc(C[N@@H+]2CC[C@H](C(=O)OC)C2)o1 ZINC000525266678 388423336 /nfs/dbraw/zinc/42/33/36/388423336.db2.gz RSGPGTVTLVLJJD-VIFPVBQESA-N 1 2 238.287 1.232 20 0 BDADLO CCc1cnc(C[N@H+]2CC[C@H](C(=O)OC)C2)o1 ZINC000525266678 388423339 /nfs/dbraw/zinc/42/33/39/388423339.db2.gz RSGPGTVTLVLJJD-VIFPVBQESA-N 1 2 238.287 1.232 20 0 BDADLO CCOC1CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000193778088 388431114 /nfs/dbraw/zinc/43/11/14/388431114.db2.gz KBXXBBICTTWAPM-UHFFFAOYSA-N 1 2 238.335 1.124 20 0 BDADLO CCC[N@H+](CC1(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000525976813 388439191 /nfs/dbraw/zinc/43/91/91/388439191.db2.gz NHPGCBYSTZHXPS-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CCC[N@@H+](CC1(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000525976813 388439192 /nfs/dbraw/zinc/43/91/92/388439192.db2.gz NHPGCBYSTZHXPS-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CC(C)(CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000517422971 388550428 /nfs/dbraw/zinc/55/04/28/388550428.db2.gz BZZKBSFTOPFFQX-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528516465 388539645 /nfs/dbraw/zinc/53/96/45/388539645.db2.gz KIQQCCNZCAFSIW-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528516465 388539646 /nfs/dbraw/zinc/53/96/46/388539646.db2.gz KIQQCCNZCAFSIW-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CCC[C@H]([NH2+][C@@H](COC)C1CC1)C(=O)OCC ZINC000136627092 388543104 /nfs/dbraw/zinc/54/31/04/388543104.db2.gz JSEMOQHAYPUAHC-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO COC(=O)[C@H]1CCN(c2nc(C)[nH+]cc2C)[C@H]1C ZINC000520839764 388543660 /nfs/dbraw/zinc/54/36/60/388543660.db2.gz RJPWCLGQCPTRMJ-ONGXEEELSA-N 1 2 249.314 1.481 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000355074737 388544881 /nfs/dbraw/zinc/54/48/81/388544881.db2.gz IXFUMLSXJYZLDD-PWSUYJOCSA-N 1 2 241.331 1.510 20 0 BDADLO C[C@@H]1[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@H]1C1CC1 ZINC000528567218 388547323 /nfs/dbraw/zinc/54/73/23/388547323.db2.gz GTQRJRCRMXOQRD-BIMULSAOSA-N 1 2 245.326 1.559 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OCC ZINC000356277570 388548126 /nfs/dbraw/zinc/54/81/26/388548126.db2.gz HNIFQMSNABKEND-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@H](C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000356277895 388548352 /nfs/dbraw/zinc/54/83/52/388548352.db2.gz IUPMYRPPGCBKHK-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nc(N)c(CNC(=O)CCCC2CC2)c[nH+]1 ZINC000648902204 388486081 /nfs/dbraw/zinc/48/60/81/388486081.db2.gz MDCBPARDCYXLLT-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000135255170 388486538 /nfs/dbraw/zinc/48/65/38/388486538.db2.gz CQJTUJQGQZNXKQ-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CN(C)c1nc(C[N@H+](C)CCC2CC2)ns1 ZINC000135312792 388490396 /nfs/dbraw/zinc/49/03/96/388490396.db2.gz QKDPQFRHBSCYRH-UHFFFAOYSA-N 1 2 240.376 1.836 20 0 BDADLO CN(C)c1nc(C[N@@H+](C)CCC2CC2)ns1 ZINC000135312792 388490397 /nfs/dbraw/zinc/49/03/97/388490397.db2.gz QKDPQFRHBSCYRH-UHFFFAOYSA-N 1 2 240.376 1.836 20 0 BDADLO Cc1cccc(CC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000135488281 388497458 /nfs/dbraw/zinc/49/74/58/388497458.db2.gz BFEABVYZUFYUIF-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO c1cncc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000135510852 388498536 /nfs/dbraw/zinc/49/85/36/388498536.db2.gz TWKBIMVSDVYVDS-UHFFFAOYSA-N 1 2 218.300 1.837 20 0 BDADLO c1cncc(C[N@H+]2CCOCC23CCC3)c1 ZINC000135510852 388498540 /nfs/dbraw/zinc/49/85/40/388498540.db2.gz TWKBIMVSDVYVDS-UHFFFAOYSA-N 1 2 218.300 1.837 20 0 BDADLO CC[C@]1(C)C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000135726201 388507586 /nfs/dbraw/zinc/50/75/86/388507586.db2.gz LFBNPARCLMCDQS-CYBMUJFWSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@]1(C)C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000135726201 388507589 /nfs/dbraw/zinc/50/75/89/388507589.db2.gz LFBNPARCLMCDQS-CYBMUJFWSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1cc(NCC[C@H](C)CCO)nc[nH+]1 ZINC000397874584 388508308 /nfs/dbraw/zinc/50/83/08/388508308.db2.gz KGFCVIOCEZFDOC-VIFPVBQESA-N 1 2 209.293 1.027 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cn(C)nc2C)[nH]c1C ZINC000576887959 388509140 /nfs/dbraw/zinc/50/91/40/388509140.db2.gz YAUKRKFJMWRAOW-SNVBAGLBSA-N 1 2 247.346 1.919 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000576887959 388509143 /nfs/dbraw/zinc/50/91/43/388509143.db2.gz YAUKRKFJMWRAOW-SNVBAGLBSA-N 1 2 247.346 1.919 20 0 BDADLO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cscn1 ZINC000397894071 388509986 /nfs/dbraw/zinc/50/99/86/388509986.db2.gz OKFOXHNDQJSSHF-VIFPVBQESA-N 1 2 225.361 1.888 20 0 BDADLO C[C@H]1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)O1 ZINC000397904011 388510401 /nfs/dbraw/zinc/51/04/01/388510401.db2.gz UUZPWHVJFJNFMG-IUCAKERBSA-N 1 2 247.302 1.343 20 0 BDADLO Clc1cccnc1CN1CCn2c[nH+]cc2C1 ZINC000528511930 388511718 /nfs/dbraw/zinc/51/17/18/388511718.db2.gz ZMEWQZRXNDXENK-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)c2ccccc21 ZINC000398040517 388515815 /nfs/dbraw/zinc/51/58/15/388515815.db2.gz PTEZVIWHSVBUBR-BXKDBHETSA-N 1 2 243.314 1.548 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548133203 388516138 /nfs/dbraw/zinc/51/61/38/388516138.db2.gz YPLRAHAVLATRHU-NWDGAFQWSA-N 1 2 235.331 1.371 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000528431652 388519027 /nfs/dbraw/zinc/51/90/27/388519027.db2.gz NEDMEJKGLVFCCI-ZUYFITGHSA-N 1 2 228.723 1.436 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000528431652 388519029 /nfs/dbraw/zinc/51/90/29/388519029.db2.gz NEDMEJKGLVFCCI-ZUYFITGHSA-N 1 2 228.723 1.436 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCCCOC ZINC000136047928 388519435 /nfs/dbraw/zinc/51/94/35/388519435.db2.gz WGMHTFYBOHBZCG-AATRIKPKSA-N 1 2 237.303 1.069 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC(C)C ZINC000136057352 388519750 /nfs/dbraw/zinc/51/97/50/388519750.db2.gz ZIVAROZHIICQLC-AATRIKPKSA-N 1 2 221.304 1.688 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000528431645 388524952 /nfs/dbraw/zinc/52/49/52/388524952.db2.gz NEDMEJKGLVFCCI-FWAPLPHYSA-N 1 2 228.723 1.436 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000528431645 388524954 /nfs/dbraw/zinc/52/49/54/388524954.db2.gz NEDMEJKGLVFCCI-FWAPLPHYSA-N 1 2 228.723 1.436 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000528452418 388529013 /nfs/dbraw/zinc/52/90/13/388529013.db2.gz UAFMGUMRLSHGGG-ZHFHSAFGSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000528452418 388529017 /nfs/dbraw/zinc/52/90/17/388529017.db2.gz UAFMGUMRLSHGGG-ZHFHSAFGSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000528477011 388531965 /nfs/dbraw/zinc/53/19/65/388531965.db2.gz ULGKWEQVYRZQCI-QDJRAUDGSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000528477011 388531967 /nfs/dbraw/zinc/53/19/67/388531967.db2.gz ULGKWEQVYRZQCI-QDJRAUDGSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000517039895 388535046 /nfs/dbraw/zinc/53/50/46/388535046.db2.gz JADUEKNLPPPKTJ-BDAKNGLRSA-N 1 2 247.302 1.189 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000517039895 388535049 /nfs/dbraw/zinc/53/50/49/388535049.db2.gz JADUEKNLPPPKTJ-BDAKNGLRSA-N 1 2 247.302 1.189 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2)c2nccn21 ZINC000379181370 388595759 /nfs/dbraw/zinc/59/57/59/388595759.db2.gz RZBXZUNIICTDPC-WPRPVWTQSA-N 1 2 217.276 1.402 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000550663200 388612455 /nfs/dbraw/zinc/61/24/55/388612455.db2.gz IHKHKYFVZVRPEQ-JTQLQIEISA-N 1 2 224.329 1.121 20 0 BDADLO CSC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000550663200 388612456 /nfs/dbraw/zinc/61/24/56/388612456.db2.gz IHKHKYFVZVRPEQ-JTQLQIEISA-N 1 2 224.329 1.121 20 0 BDADLO CC1(C[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000550700388 388613288 /nfs/dbraw/zinc/61/32/88/388613288.db2.gz GTFARZDVUCQUAV-LLVKDONJSA-N 1 2 243.314 1.679 20 0 BDADLO [NH3+][C@@H](C(=O)NCC1CCC1)c1cscn1 ZINC000517554051 388553513 /nfs/dbraw/zinc/55/35/13/388553513.db2.gz DSYFGVPMUFTZTH-SECBINFHSA-N 1 2 225.317 1.059 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000548753019 388556996 /nfs/dbraw/zinc/55/69/96/388556996.db2.gz HWNWMJMPEHJMIY-PHIMTYICSA-N 1 2 243.314 1.645 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000548753019 388556999 /nfs/dbraw/zinc/55/69/99/388556999.db2.gz HWNWMJMPEHJMIY-PHIMTYICSA-N 1 2 243.314 1.645 20 0 BDADLO CC[C@@H](CC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC000520903399 388558599 /nfs/dbraw/zinc/55/85/99/388558599.db2.gz RKAXDWXMAUKWQY-QMMMGPOBSA-N 1 2 249.236 1.730 20 0 BDADLO CCOC[C@@H]1C[N@H+](C[C@@H](F)CC)CCO1 ZINC000528733004 388559526 /nfs/dbraw/zinc/55/95/26/388559526.db2.gz SAOMUHOAMAHUIS-QWRGUYRKSA-N 1 2 219.300 1.472 20 0 BDADLO CCOC[C@@H]1C[N@@H+](C[C@@H](F)CC)CCO1 ZINC000528733004 388559530 /nfs/dbraw/zinc/55/95/30/388559530.db2.gz SAOMUHOAMAHUIS-QWRGUYRKSA-N 1 2 219.300 1.472 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CC=C(C)C ZINC000521034131 388559865 /nfs/dbraw/zinc/55/98/65/388559865.db2.gz YJEOACJYJHYTCK-NSHDSACASA-N 1 2 243.372 1.933 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CC=C(C)C ZINC000521034131 388559869 /nfs/dbraw/zinc/55/98/69/388559869.db2.gz YJEOACJYJHYTCK-NSHDSACASA-N 1 2 243.372 1.933 20 0 BDADLO CCn1nncc1C[NH+]1CCC(F)(F)CC1 ZINC000528715589 388560385 /nfs/dbraw/zinc/56/03/85/388560385.db2.gz MAWYXVZLTRQYOC-UHFFFAOYSA-N 1 2 230.262 1.529 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000528733547 388560720 /nfs/dbraw/zinc/56/07/20/388560720.db2.gz WFOSFQQONCMKLY-LBPRGKRZSA-N 1 2 241.356 1.985 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000528733547 388560724 /nfs/dbraw/zinc/56/07/24/388560724.db2.gz WFOSFQQONCMKLY-LBPRGKRZSA-N 1 2 241.356 1.985 20 0 BDADLO CCc1nc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)no1 ZINC000528759114 388568176 /nfs/dbraw/zinc/56/81/76/388568176.db2.gz XBNCKMIJTIBJID-NHRVJRKFSA-N 1 2 239.319 1.534 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)C[C@H]2C)n1C ZINC000528766030 388568756 /nfs/dbraw/zinc/56/87/56/388568756.db2.gz JAQBCELTTRBZPY-MRVPVSSYSA-N 1 2 244.289 1.743 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)C[C@H]2C)n1C ZINC000528766030 388568759 /nfs/dbraw/zinc/56/87/59/388568759.db2.gz JAQBCELTTRBZPY-MRVPVSSYSA-N 1 2 244.289 1.743 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)C[C@H]2C)o1 ZINC000528771760 388570941 /nfs/dbraw/zinc/57/09/41/388570941.db2.gz YIYKWOOFYODUDA-SSDOTTSWSA-N 1 2 231.246 1.998 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)C[C@H]2C)o1 ZINC000528771760 388570944 /nfs/dbraw/zinc/57/09/44/388570944.db2.gz YIYKWOOFYODUDA-SSDOTTSWSA-N 1 2 231.246 1.998 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ncccc1F ZINC000528825706 388577138 /nfs/dbraw/zinc/57/71/38/388577138.db2.gz TXRAPNNPSBIXTP-WCBMZHEXSA-N 1 2 237.278 1.150 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000549409153 388578676 /nfs/dbraw/zinc/57/86/76/388578676.db2.gz KZOFZRFCAFPNMN-XPUUQOCRSA-N 1 2 247.245 1.753 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000549409153 388578678 /nfs/dbraw/zinc/57/86/78/388578678.db2.gz KZOFZRFCAFPNMN-XPUUQOCRSA-N 1 2 247.245 1.753 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CC[C@H](C)F ZINC000552082676 388667511 /nfs/dbraw/zinc/66/75/11/388667511.db2.gz BDCRDRCMKCEOMY-VHSXEESVSA-N 1 2 249.351 1.715 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CC[C@H](C)F ZINC000552082676 388667513 /nfs/dbraw/zinc/66/75/13/388667513.db2.gz BDCRDRCMKCEOMY-VHSXEESVSA-N 1 2 249.351 1.715 20 0 BDADLO c1[nH]cc(NCc2ccc3c(c2)OCCO3)[nH+]1 ZINC000551332101 388626724 /nfs/dbraw/zinc/62/67/24/388626724.db2.gz GDJGRUJLFGUPBZ-UHFFFAOYSA-N 1 2 231.255 1.793 20 0 BDADLO Cn1c[nH+]cc1CN[C@@H](C1CC1)C(F)(F)F ZINC000288477113 388628238 /nfs/dbraw/zinc/62/82/38/388628238.db2.gz PLJPBMMJZKIYOS-VIFPVBQESA-N 1 2 233.237 1.851 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc3ccccn23)[C@@H]1C ZINC000139208202 388631083 /nfs/dbraw/zinc/63/10/83/388631083.db2.gz HBNZLGFJRGZREE-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc3ccccn23)[C@@H]1C ZINC000139208202 388631086 /nfs/dbraw/zinc/63/10/86/388631086.db2.gz HBNZLGFJRGZREE-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCSC(C)(C)C1 ZINC000189530504 388635806 /nfs/dbraw/zinc/63/58/06/388635806.db2.gz NEGHFWOPLBZCIG-QMMMGPOBSA-N 1 2 241.364 1.099 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCSC(C)(C)C1 ZINC000189530504 388635809 /nfs/dbraw/zinc/63/58/09/388635809.db2.gz NEGHFWOPLBZCIG-QMMMGPOBSA-N 1 2 241.364 1.099 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000530310632 388648168 /nfs/dbraw/zinc/64/81/68/388648168.db2.gz BIAIGAZEFNYGOQ-PTEHBNRSSA-N 1 2 233.315 1.267 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000249919361 388734415 /nfs/dbraw/zinc/73/44/15/388734415.db2.gz YJMHZLKRHMTJHP-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000249919361 388734416 /nfs/dbraw/zinc/73/44/16/388734416.db2.gz YJMHZLKRHMTJHP-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1ccnc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000552854609 388738906 /nfs/dbraw/zinc/73/89/06/388738906.db2.gz WDNPVUPEZXECJH-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO O=C(c1ccccc1)N1CC(n2cc[nH+]c2)C1 ZINC000522265672 388741204 /nfs/dbraw/zinc/74/12/04/388741204.db2.gz SCIXNZBCHYPGGY-UHFFFAOYSA-N 1 2 227.267 1.580 20 0 BDADLO COc1cc(NCCc2cc[nH+]cc2C)ncn1 ZINC000128352194 388750367 /nfs/dbraw/zinc/75/03/67/388750367.db2.gz VWVMJBMWJGPOTI-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000251787302 388753983 /nfs/dbraw/zinc/75/39/83/388753983.db2.gz LSIRPNAGUGOKNO-JOYOIKCWSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000251787302 388753985 /nfs/dbraw/zinc/75/39/85/388753985.db2.gz LSIRPNAGUGOKNO-JOYOIKCWSA-N 1 2 240.303 1.219 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248873089 388697895 /nfs/dbraw/zinc/69/78/95/388697895.db2.gz BZIZIQPGTXGWDD-WCQYABFASA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000248873089 388697896 /nfs/dbraw/zinc/69/78/96/388697896.db2.gz BZIZIQPGTXGWDD-WCQYABFASA-N 1 2 242.363 1.402 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)nc1 ZINC000126904262 388707885 /nfs/dbraw/zinc/70/78/85/388707885.db2.gz WQOHBJNWNWUHJY-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)nc1 ZINC000126904262 388707887 /nfs/dbraw/zinc/70/78/87/388707887.db2.gz WQOHBJNWNWUHJY-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cn1 ZINC000127626290 388729158 /nfs/dbraw/zinc/72/91/58/388729158.db2.gz CLXKMZDOANNCQZ-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cn1 ZINC000127626290 388729159 /nfs/dbraw/zinc/72/91/59/388729159.db2.gz CLXKMZDOANNCQZ-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000127728169 388730367 /nfs/dbraw/zinc/73/03/67/388730367.db2.gz RKWJYGXKOPOZCI-PSASIEDQSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000127728169 388730370 /nfs/dbraw/zinc/73/03/70/388730370.db2.gz RKWJYGXKOPOZCI-PSASIEDQSA-N 1 2 227.333 1.273 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000067226481 388731102 /nfs/dbraw/zinc/73/11/02/388731102.db2.gz PUGYCNYAUMQEBL-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000067226481 388731103 /nfs/dbraw/zinc/73/11/03/388731103.db2.gz PUGYCNYAUMQEBL-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000193204604 388803297 /nfs/dbraw/zinc/80/32/97/388803297.db2.gz VURSXAOTRRLJPF-SNVBAGLBSA-N 1 2 236.319 1.323 20 0 BDADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc[nH]n1)C1CC1 ZINC000540492918 388808814 /nfs/dbraw/zinc/80/88/14/388808814.db2.gz PJOIFCLNHKNPLI-NSHDSACASA-N 1 2 231.303 1.384 20 0 BDADLO C[C@@H]1COCC[N@@H+](CCC(F)(F)F)C1 ZINC000334353959 135369941 /nfs/dbraw/zinc/36/99/41/135369941.db2.gz JCXCOMDLHWHOSH-QMMMGPOBSA-N 1 2 211.227 1.907 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3cccc[nH+]3)C[C@@H]12 ZINC000228090107 388769620 /nfs/dbraw/zinc/76/96/20/388769620.db2.gz FJTIQVHQKUAAMD-GMTAPVOTSA-N 1 2 204.273 1.289 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CCSC2)c1Cl ZINC000228724039 388771276 /nfs/dbraw/zinc/77/12/76/388771276.db2.gz AZBJLNJCTWDNHD-LURJTMIESA-N 1 2 244.751 1.877 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CCSC2)c1Cl ZINC000228724039 388771278 /nfs/dbraw/zinc/77/12/78/388771278.db2.gz AZBJLNJCTWDNHD-LURJTMIESA-N 1 2 244.751 1.877 20 0 BDADLO Cc1cc(NC[C@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000336777446 177708257 /nfs/dbraw/zinc/70/82/57/177708257.db2.gz IMXFGOQQXOYKBG-MNOVXSKESA-N 1 2 221.304 1.434 20 0 BDADLO Cc1nc(N[C@]2(C)CCO[C@H]2C)cc[nH+]1 ZINC000230099574 388814876 /nfs/dbraw/zinc/81/48/76/388814876.db2.gz CWIOOAVWWXTFMN-GZMMTYOYSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1cc(NC(=O)c2ccn(C)c2)c(C)c[nH+]1 ZINC000540742304 388816942 /nfs/dbraw/zinc/81/69/42/388816942.db2.gz OKMPNWDMNCVXCJ-UHFFFAOYSA-N 1 2 229.283 1.711 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCCC(C)(C)C ZINC000554578427 388823126 /nfs/dbraw/zinc/82/31/26/388823126.db2.gz JLJSZXNILINQFR-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO c1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)[nH]n1 ZINC000230314466 388824074 /nfs/dbraw/zinc/82/40/74/388824074.db2.gz TVCZJOPHMZPIQJ-WDEREUQCSA-N 1 2 207.277 1.067 20 0 BDADLO C[C@]1(O)CCCN(c2cccc[nH+]2)CC1 ZINC000230372778 388824435 /nfs/dbraw/zinc/82/44/35/388824435.db2.gz KJABSXCLCLJAJV-LBPRGKRZSA-N 1 2 206.289 1.823 20 0 BDADLO CC(C)CCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523714215 388855483 /nfs/dbraw/zinc/85/54/83/388855483.db2.gz OGSFGQLITOVZJB-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523714215 388855489 /nfs/dbraw/zinc/85/54/89/388855489.db2.gz OGSFGQLITOVZJB-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000129749406 388869496 /nfs/dbraw/zinc/86/94/96/388869496.db2.gz MMQZKSJXMCTAEA-NEPJUHHUSA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000129749406 388869498 /nfs/dbraw/zinc/86/94/98/388869498.db2.gz MMQZKSJXMCTAEA-NEPJUHHUSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@H]([NH2+]Cc1cnnn1C)c1nccs1 ZINC000129774608 388870345 /nfs/dbraw/zinc/87/03/45/388870345.db2.gz QJTKVMUYTNNCON-VIFPVBQESA-N 1 2 237.332 1.513 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000129847092 388871628 /nfs/dbraw/zinc/87/16/28/388871628.db2.gz ORQDYSBQYDBPEY-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000129847092 388871631 /nfs/dbraw/zinc/87/16/31/388871631.db2.gz ORQDYSBQYDBPEY-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1[nH]nc2ccccc21 ZINC000648764143 388846081 /nfs/dbraw/zinc/84/60/81/388846081.db2.gz JODBVXSMDLEDJQ-GFCCVEGCSA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC000648764143 388846082 /nfs/dbraw/zinc/84/60/82/388846082.db2.gz JODBVXSMDLEDJQ-GFCCVEGCSA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000648764143 388846086 /nfs/dbraw/zinc/84/60/86/388846086.db2.gz JODBVXSMDLEDJQ-GFCCVEGCSA-N 1 2 244.298 1.013 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000648764143 388846090 /nfs/dbraw/zinc/84/60/90/388846090.db2.gz JODBVXSMDLEDJQ-GFCCVEGCSA-N 1 2 244.298 1.013 20 0 BDADLO CCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523680375 388851110 /nfs/dbraw/zinc/85/11/10/388851110.db2.gz RSMNQRIFVYCYPJ-UHFFFAOYSA-N 1 2 221.304 1.847 20 0 BDADLO C[C@H]1SCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000649172346 388888938 /nfs/dbraw/zinc/88/89/38/388888938.db2.gz FDOJCBDCXYWAID-SCZZXKLOSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1SCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000649172346 388888942 /nfs/dbraw/zinc/88/89/42/388888942.db2.gz FDOJCBDCXYWAID-SCZZXKLOSA-N 1 2 239.344 1.353 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCS[C@@H]1C ZINC000649173126 388890434 /nfs/dbraw/zinc/89/04/34/388890434.db2.gz OLWYVGMAIHTGNE-RKDXNWHRSA-N 1 2 239.344 1.271 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCS[C@@H]1C ZINC000649173126 388890439 /nfs/dbraw/zinc/89/04/39/388890439.db2.gz OLWYVGMAIHTGNE-RKDXNWHRSA-N 1 2 239.344 1.271 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000564812209 388890803 /nfs/dbraw/zinc/89/08/03/388890803.db2.gz AQMDEWJRVABHQZ-FZMZJTMJSA-N 1 2 246.310 1.897 20 0 BDADLO C[C@]1(CNc2cc(NC3CC3)nc[nH+]2)CCOC1 ZINC000564544310 388876869 /nfs/dbraw/zinc/87/68/69/388876869.db2.gz HUUWGZFUKBCPJV-CYBMUJFWSA-N 1 2 248.330 1.889 20 0 BDADLO C[C@]1(CNc2cc(NC3CC3)[nH+]cn2)CCOC1 ZINC000564544310 388876870 /nfs/dbraw/zinc/87/68/70/388876870.db2.gz HUUWGZFUKBCPJV-CYBMUJFWSA-N 1 2 248.330 1.889 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000070191158 388877851 /nfs/dbraw/zinc/87/78/51/388877851.db2.gz KYIVBFQYQWJUNC-LLVKDONJSA-N 1 2 244.360 1.361 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000070191158 388877855 /nfs/dbraw/zinc/87/78/55/388877855.db2.gz KYIVBFQYQWJUNC-LLVKDONJSA-N 1 2 244.360 1.361 20 0 BDADLO C[C@H](CC(=O)NCCC(F)(F)F)n1cc[nH+]c1 ZINC000565049943 388910990 /nfs/dbraw/zinc/91/09/90/388910990.db2.gz VUVYPNFPFKMOEC-MRVPVSSYSA-N 1 2 249.236 1.903 20 0 BDADLO C[C@@H](C(=O)NCC(=O)C(C)(C)C)[NH+]1CC(C)C1 ZINC000565191787 388924352 /nfs/dbraw/zinc/92/43/52/388924352.db2.gz RBRYJNGZRAWWFE-JTQLQIEISA-N 1 2 240.347 1.058 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccncc1 ZINC000565629619 388959027 /nfs/dbraw/zinc/95/90/27/388959027.db2.gz LUJFIEUNEBJHIA-LBPRGKRZSA-N 1 2 244.298 1.546 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCO ZINC000153129023 388942219 /nfs/dbraw/zinc/94/22/19/388942219.db2.gz QRAQDGRULGKYFI-QMMMGPOBSA-N 1 2 227.308 1.352 20 0 BDADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCO ZINC000153129023 388942223 /nfs/dbraw/zinc/94/22/23/388942223.db2.gz QRAQDGRULGKYFI-QMMMGPOBSA-N 1 2 227.308 1.352 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CC1 ZINC000565874253 388975465 /nfs/dbraw/zinc/97/54/65/388975465.db2.gz AKFHCNQGMJTTCP-SECBINFHSA-N 1 2 233.315 1.888 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000565874253 388975462 /nfs/dbraw/zinc/97/54/62/388975462.db2.gz AKFHCNQGMJTTCP-SECBINFHSA-N 1 2 233.315 1.888 20 0 BDADLO C[C@@H]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000565911731 388978164 /nfs/dbraw/zinc/97/81/64/388978164.db2.gz LWPICKWKDNVNBM-OCCSQVGLSA-N 1 2 247.342 1.922 20 0 BDADLO COc1c(N)[nH+]cnc1NCCc1ccc(C)o1 ZINC000565961440 388981402 /nfs/dbraw/zinc/98/14/02/388981402.db2.gz MFOCCPRUUAWSDA-UHFFFAOYSA-N 1 2 248.286 1.045 20 0 BDADLO COc1c(N)nc[nH+]c1NCCc1ccc(C)o1 ZINC000565961440 388981405 /nfs/dbraw/zinc/98/14/05/388981405.db2.gz MFOCCPRUUAWSDA-UHFFFAOYSA-N 1 2 248.286 1.045 20 0 BDADLO C[C@H](CCO)CNc1cc[nH+]c(C2CC2)n1 ZINC000266201360 388995246 /nfs/dbraw/zinc/99/52/46/388995246.db2.gz JLNZGLAFDDQWRZ-SECBINFHSA-N 1 2 221.304 1.784 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCS1 ZINC000267179956 388998083 /nfs/dbraw/zinc/99/80/83/388998083.db2.gz IRKBMKRKBMARDF-VIFPVBQESA-N 1 2 225.317 1.230 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]c[nH+]c2C)n1C ZINC000267081995 388998506 /nfs/dbraw/zinc/99/85/06/388998506.db2.gz CJKUOGUFDWSUGG-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO COC(=O)CCC[N@@H+]1CCC=C(F)C1 ZINC000272461194 389030631 /nfs/dbraw/zinc/03/06/31/389030631.db2.gz KLMICTOOBFDWNE-UHFFFAOYSA-N 1 2 201.241 1.499 20 0 BDADLO COC(=O)CCC[N@H+]1CCC=C(F)C1 ZINC000272461194 389030640 /nfs/dbraw/zinc/03/06/40/389030640.db2.gz KLMICTOOBFDWNE-UHFFFAOYSA-N 1 2 201.241 1.499 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)F ZINC000271053608 389018388 /nfs/dbraw/zinc/01/83/88/389018388.db2.gz RNMYDUBSNNVGOP-UHFFFAOYSA-N 1 2 213.256 1.127 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000271638551 389023902 /nfs/dbraw/zinc/02/39/02/389023902.db2.gz AMQDBHLNEXNXOR-MRVPVSSYSA-N 1 2 233.271 1.934 20 0 BDADLO Cc1nc(N2CCC(F)(F)[C@H](CO)C2)cc[nH+]1 ZINC000292187448 132307738 /nfs/dbraw/zinc/30/77/38/132307738.db2.gz BMCQBFQBDNXESI-VIFPVBQESA-N 1 2 243.257 1.239 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000530495299 322816209 /nfs/dbraw/zinc/81/62/09/322816209.db2.gz WHAMTCVDHKDKDW-SUZMYJTESA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H](CC(C)(C)O)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493817118 533469516 /nfs/dbraw/zinc/46/95/16/533469516.db2.gz HRLFBSRZHQWHOQ-MOVJSRMASA-N 1 2 237.303 1.089 20 0 BDADLO Cc1[nH]nc(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000492855474 533670284 /nfs/dbraw/zinc/67/02/84/533670284.db2.gz ABJYDDVIYJVWTE-ARJAWSKDSA-N 1 2 231.259 1.402 20 0 BDADLO O=C1CCCN1C1CCN(c2cccc[nH+]2)CC1 ZINC000264202716 132178804 /nfs/dbraw/zinc/17/88/04/132178804.db2.gz DVGFXNSIZGMSFP-UHFFFAOYSA-N 1 2 245.326 1.673 20 0 BDADLO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000266125916 132184185 /nfs/dbraw/zinc/18/41/85/132184185.db2.gz NKZIDAHLGNODAS-RKDXNWHRSA-N 1 2 207.277 1.399 20 0 BDADLO CC(=O)N(C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000266164469 132184291 /nfs/dbraw/zinc/18/42/91/132184291.db2.gz XQUNQAIPZKDKNJ-UHFFFAOYSA-N 1 2 248.330 1.232 20 0 BDADLO Cc1nc(N2C[C@@H](C)OC[C@@H]2C)cc[nH+]1 ZINC000266194716 132185482 /nfs/dbraw/zinc/18/54/82/132185482.db2.gz CEWSDKJEIYKGRO-DTWKUNHWSA-N 1 2 207.277 1.399 20 0 BDADLO C[C@H]1CCN(c2ncccn2)C[C@@H]1n1cc[nH+]c1 ZINC000268211348 132191731 /nfs/dbraw/zinc/19/17/31/132191731.db2.gz AMKNOISDZQMCFS-RYUDHWBXSA-N 1 2 243.314 1.761 20 0 BDADLO Cc1nc(N2CCO[C@H](C)[C@H]2C)cc[nH+]1 ZINC000268835778 132193380 /nfs/dbraw/zinc/19/33/80/132193380.db2.gz UFXLGBRNJZKAIT-RKDXNWHRSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1nc(N2CC[C@H](O)C(C)(C)C2)cc[nH+]1 ZINC000275467465 132205118 /nfs/dbraw/zinc/20/51/18/132205118.db2.gz NNCAAJPRALDCFX-JTQLQIEISA-N 1 2 221.304 1.382 20 0 BDADLO CCCN(C)c1cc(N2CCOCC2)nc[nH+]1 ZINC000277580381 132207337 /nfs/dbraw/zinc/20/73/37/132207337.db2.gz SIAGGLOVJQSDAL-UHFFFAOYSA-N 1 2 236.319 1.159 20 0 BDADLO CCCN(C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000277580381 132207341 /nfs/dbraw/zinc/20/73/41/132207341.db2.gz SIAGGLOVJQSDAL-UHFFFAOYSA-N 1 2 236.319 1.159 20 0 BDADLO C[NH+]1CCN(c2ccc3c(n2)CCCC3=O)CC1 ZINC000295447057 132220568 /nfs/dbraw/zinc/22/05/68/132220568.db2.gz NKSOQTBPMHGRFT-UHFFFAOYSA-N 1 2 245.326 1.352 20 0 BDADLO Cn1cnnc1C1CCN(c2cccc[nH+]2)CC1 ZINC000298702447 132222428 /nfs/dbraw/zinc/22/24/28/132222428.db2.gz HUHDOLOTJICONN-UHFFFAOYSA-N 1 2 243.314 1.594 20 0 BDADLO Cc1cc(N2CCCC3(C2)OCCO3)nc[nH+]1 ZINC000134217354 132238502 /nfs/dbraw/zinc/23/85/02/132238502.db2.gz NDACDABZSYEVBU-UHFFFAOYSA-N 1 2 235.287 1.128 20 0 BDADLO Cc1cc(N2CCc3nc(N)sc3C2)nc[nH+]1 ZINC000301226128 132251766 /nfs/dbraw/zinc/25/17/66/132251766.db2.gz GJIAAUIEZVQLGR-UHFFFAOYSA-N 1 2 247.327 1.386 20 0 BDADLO CC(=O)N1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000301443537 132253764 /nfs/dbraw/zinc/25/37/64/132253764.db2.gz PVBBNAFHESUTKH-UHFFFAOYSA-N 1 2 248.330 1.070 20 0 BDADLO C[C@@H]1CCN(c2cnccn2)C[C@H]1n1cc[nH+]c1 ZINC000301662291 132255845 /nfs/dbraw/zinc/25/58/45/132255845.db2.gz YDNXHJSZCKYQEF-VXGBXAGGSA-N 1 2 243.314 1.761 20 0 BDADLO Cc1nc(N2CC[C@H](O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000302377869 132263219 /nfs/dbraw/zinc/26/32/19/132263219.db2.gz GENWNVVZEIRGIQ-UFBFGSQYSA-N 1 2 235.331 1.609 20 0 BDADLO Cc1nc(N2CCC(n3cccn3)CC2)cc[nH+]1 ZINC000369671796 132284569 /nfs/dbraw/zinc/28/45/69/132284569.db2.gz JGJILFURBYXZLP-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO c1nnc([C@H]2CCCN(c3cccc[nH+]3)C2)[nH]1 ZINC000371271045 132285010 /nfs/dbraw/zinc/28/50/10/132285010.db2.gz LNJSBTNRRCCVCH-JTQLQIEISA-N 1 2 229.287 1.584 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncc(C)cn1)CC2 ZINC000371709198 132285180 /nfs/dbraw/zinc/28/51/80/132285180.db2.gz USNSWCIUVDAROD-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO Cc1ccc(N2CC[N@@H+](C[C@@H](C)O)CC2=O)cc1 ZINC000375632750 132288498 /nfs/dbraw/zinc/28/84/98/132288498.db2.gz WPTRCXBXTAAHFE-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO Cc1ccc(N2CC[N@H+](C[C@@H](C)O)CC2=O)cc1 ZINC000375632750 132288499 /nfs/dbraw/zinc/28/84/99/132288499.db2.gz WPTRCXBXTAAHFE-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO Cc1cc(N2CCCC[C@@H]2C[C@H](C)O)nc[nH+]1 ZINC000310272059 132294702 /nfs/dbraw/zinc/29/47/02/132294702.db2.gz DPTPGMUVSJZMMZ-NWDGAFQWSA-N 1 2 235.331 1.915 20 0 BDADLO CNC(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000048392654 132355324 /nfs/dbraw/zinc/35/53/24/132355324.db2.gz GOWKEJUUSHJURF-UHFFFAOYSA-N 1 2 219.288 1.044 20 0 BDADLO OC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110113823 132437844 /nfs/dbraw/zinc/43/78/44/132437844.db2.gz BOMKMLZKDFPDCE-UHFFFAOYSA-N 1 2 219.288 1.315 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000334354933 133624395 /nfs/dbraw/zinc/62/43/95/133624395.db2.gz AOLGVFJTDVAJKZ-GHMZBOCLSA-N 1 2 235.331 1.815 20 0 BDADLO Cc1cc(N[C@H]2CC[C@H](O)CC2)nc[nH+]1 ZINC000252700604 133650502 /nfs/dbraw/zinc/65/05/02/133650502.db2.gz APEHVVWHSORXRU-MGCOHNPYSA-N 1 2 207.277 1.500 20 0 BDADLO CCC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335492806 133865223 /nfs/dbraw/zinc/86/52/23/133865223.db2.gz SUPCVRXQVGOQTI-NSHDSACASA-N 1 2 233.315 1.314 20 0 BDADLO CCOC(=O)C1(C[NH2+]Cc2cn[nH]c2C)CC1 ZINC000351915232 134002525 /nfs/dbraw/zinc/00/25/25/134002525.db2.gz KYGJZMJWCAGETD-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)[C@H](O)C1 ZINC000351931589 134012375 /nfs/dbraw/zinc/01/23/75/134012375.db2.gz RRZRXIWZTZNWMQ-GXSJLCMTSA-N 1 2 249.314 1.543 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000335946082 134020112 /nfs/dbraw/zinc/02/01/12/134020112.db2.gz ZJWZCJSIXCHQAL-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1ccccc1C[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000335945321 134020138 /nfs/dbraw/zinc/02/01/38/134020138.db2.gz XBNRQWYGBGCINX-BLLLJJGKSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccccc1C[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000335945321 134020139 /nfs/dbraw/zinc/02/01/39/134020139.db2.gz XBNRQWYGBGCINX-BLLLJJGKSA-N 1 2 237.368 1.948 20 0 BDADLO CC(C)[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000335965373 134028129 /nfs/dbraw/zinc/02/81/29/134028129.db2.gz KCONERRMRDGYPF-LLVKDONJSA-N 1 2 223.320 1.277 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000352002751 134034105 /nfs/dbraw/zinc/03/41/05/134034105.db2.gz NGZWGLSYHOHVCA-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1ncc(Cl)s1 ZINC000352002751 134034104 /nfs/dbraw/zinc/03/41/04/134034104.db2.gz NGZWGLSYHOHVCA-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnc(C)nc1 ZINC000352011441 134035336 /nfs/dbraw/zinc/03/53/36/134035336.db2.gz BHDAGZBQFBXQQQ-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnc(C)nc1 ZINC000352011441 134035337 /nfs/dbraw/zinc/03/53/37/134035337.db2.gz BHDAGZBQFBXQQQ-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC(=O)CCCC(=O)NCCNc1cccc[nH+]1 ZINC000352022426 134037205 /nfs/dbraw/zinc/03/72/05/134037205.db2.gz OSLAPONJVSNZPO-UHFFFAOYSA-N 1 2 249.314 1.369 20 0 BDADLO O=C([C@@H]1C[C@@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000336022552 134055785 /nfs/dbraw/zinc/05/57/85/134055785.db2.gz IGCGIGADBWIRKP-VXGBXAGGSA-N 1 2 231.299 1.271 20 0 BDADLO Cn1cc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC000336044154 134063296 /nfs/dbraw/zinc/06/32/96/134063296.db2.gz MZUOEKIMVGYZHV-VIFPVBQESA-N 1 2 245.286 1.202 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](CCO)CC2CC2)no1 ZINC000352108807 134067946 /nfs/dbraw/zinc/06/79/46/134067946.db2.gz ZQZHSJCSXFXHNF-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](CCO)CC2CC2)no1 ZINC000352108807 134067947 /nfs/dbraw/zinc/06/79/47/134067947.db2.gz ZQZHSJCSXFXHNF-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1ccc(CNc2cccc[nH+]2)c(=O)n1C ZINC000336088216 134077634 /nfs/dbraw/zinc/07/76/34/134077634.db2.gz XHGKPPSAKGMPNH-UHFFFAOYSA-N 1 2 229.283 1.701 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)o2)[C@@H](C)C1=O ZINC000336116553 134088850 /nfs/dbraw/zinc/08/88/50/134088850.db2.gz IAJBQZYZOYHCOX-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)o2)[C@@H](C)C1=O ZINC000336116553 134088851 /nfs/dbraw/zinc/08/88/51/134088851.db2.gz IAJBQZYZOYHCOX-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO c1cn2c([nH+]1)CN(Cc1cncs1)CC2 ZINC000336117231 134089036 /nfs/dbraw/zinc/08/90/36/134089036.db2.gz MKLHKZJAYQPHTJ-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO Oc1cccc2c1C[C@H]([NH2+]Cc1ccn[nH]1)C2 ZINC000336117859 134089187 /nfs/dbraw/zinc/08/91/87/134089187.db2.gz IFWKQVBHYOMKOG-LLVKDONJSA-N 1 2 229.283 1.372 20 0 BDADLO c1n[nH]nc1CSc1[nH+]cc2ccccn21 ZINC000352165505 134090498 /nfs/dbraw/zinc/09/04/98/134090498.db2.gz GLDJEFVKUOZTQL-UHFFFAOYSA-N 1 2 231.284 1.745 20 0 BDADLO O=C(NCC(F)F)Nc1ccn2cc[nH+]c2c1 ZINC000336162239 134111442 /nfs/dbraw/zinc/11/14/42/134111442.db2.gz JAMXZFGRYDAQGK-UHFFFAOYSA-N 1 2 240.213 1.721 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CC[C@H](O)C1 ZINC000336166987 134113632 /nfs/dbraw/zinc/11/36/32/134113632.db2.gz CZUPVYDSEUXGRO-QMMMGPOBSA-N 1 2 235.262 1.283 20 0 BDADLO Cc1noc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)n1 ZINC000336183238 134120276 /nfs/dbraw/zinc/12/02/76/134120276.db2.gz BSTUPALUXFTWNM-ZETCQYMHSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1noc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)n1 ZINC000336183238 134120277 /nfs/dbraw/zinc/12/02/77/134120277.db2.gz BSTUPALUXFTWNM-ZETCQYMHSA-N 1 2 231.246 1.855 20 0 BDADLO O=C1C[N@H+](C[C@@H]2CCCCC2(F)F)CCN1 ZINC000336202236 134130729 /nfs/dbraw/zinc/13/07/29/134130729.db2.gz RVOKUVVVMQXKHS-VIFPVBQESA-N 1 2 232.274 1.244 20 0 BDADLO O=C1C[N@@H+](C[C@@H]2CCCCC2(F)F)CCN1 ZINC000336202236 134130730 /nfs/dbraw/zinc/13/07/30/134130730.db2.gz RVOKUVVVMQXKHS-VIFPVBQESA-N 1 2 232.274 1.244 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000336217065 134137538 /nfs/dbraw/zinc/13/75/38/134137538.db2.gz YXUKCBDENBEPRW-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000336217065 134137539 /nfs/dbraw/zinc/13/75/39/134137539.db2.gz YXUKCBDENBEPRW-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(F)c1 ZINC000168597702 134227871 /nfs/dbraw/zinc/22/78/71/134227871.db2.gz SVMHJSGEGCFBNF-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(F)c1 ZINC000168597702 134227872 /nfs/dbraw/zinc/22/78/72/134227872.db2.gz SVMHJSGEGCFBNF-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000172993491 134272032 /nfs/dbraw/zinc/27/20/32/134272032.db2.gz WNHHCUDAIUAQNP-JTQLQIEISA-N 1 2 239.319 1.274 20 0 BDADLO C[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000173131943 134274045 /nfs/dbraw/zinc/27/40/45/134274045.db2.gz AJLXVZDDKILMCA-NSHDSACASA-N 1 2 243.310 1.888 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000179863988 134324275 /nfs/dbraw/zinc/32/42/75/134324275.db2.gz MYVYQSUSQVJSRX-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000179863988 134324276 /nfs/dbraw/zinc/32/42/76/134324276.db2.gz MYVYQSUSQVJSRX-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(O)c2)o1 ZINC000181549758 134337548 /nfs/dbraw/zinc/33/75/48/134337548.db2.gz CKMYZCRBOUZZAT-QMMMGPOBSA-N 1 2 233.271 1.934 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cccc(O)c2)o1 ZINC000181549781 134337626 /nfs/dbraw/zinc/33/76/26/134337626.db2.gz CKMYZCRBOUZZAT-MRVPVSSYSA-N 1 2 233.271 1.934 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000182391558 134344935 /nfs/dbraw/zinc/34/49/35/134344935.db2.gz FLHHCHGBJIXBHH-VIFPVBQESA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H](C)C2)no1 ZINC000182391558 134344936 /nfs/dbraw/zinc/34/49/36/134344936.db2.gz FLHHCHGBJIXBHH-VIFPVBQESA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000182522915 134345510 /nfs/dbraw/zinc/34/55/10/134345510.db2.gz JJPRCFNETVZPGP-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000182522915 134345511 /nfs/dbraw/zinc/34/55/11/134345511.db2.gz JJPRCFNETVZPGP-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO COCCCC[N@H+](C)Cc1noc(C)n1 ZINC000183720174 134353992 /nfs/dbraw/zinc/35/39/92/134353992.db2.gz XVFUVDFWUZCYKW-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO COCCCC[N@@H+](C)Cc1noc(C)n1 ZINC000183720174 134353993 /nfs/dbraw/zinc/35/39/93/134353993.db2.gz XVFUVDFWUZCYKW-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO C/C=C/C[C@H](CO)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000184579502 134363543 /nfs/dbraw/zinc/36/35/43/134363543.db2.gz OFHJMZVYCWMRKV-AAOUONPWSA-N 1 2 249.314 1.839 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)cs1 ZINC000227225317 134376625 /nfs/dbraw/zinc/37/66/25/134376625.db2.gz UZQULDYVTJEYPT-VXNVDRBHSA-N 1 2 239.344 1.333 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](CO)CC(C)C)no1 ZINC000185330848 134376937 /nfs/dbraw/zinc/37/69/37/134376937.db2.gz JJQAFHAPIYCUKX-SNVBAGLBSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](CO)CC(C)C)no1 ZINC000185330848 134376938 /nfs/dbraw/zinc/37/69/38/134376938.db2.gz JJQAFHAPIYCUKX-SNVBAGLBSA-N 1 2 227.308 1.217 20 0 BDADLO COC[C@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000192155203 134582878 /nfs/dbraw/zinc/58/28/78/134582878.db2.gz BLXUSYLTMPUIKU-ZDUSSCGKSA-N 1 2 243.310 1.954 20 0 BDADLO C[C@@H]1OCC[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1C ZINC000248389092 135001155 /nfs/dbraw/zinc/00/11/55/135001155.db2.gz GCYSJLSZTYYJRJ-BIIVOSGPSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H]1OCC[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1C ZINC000248389092 135001156 /nfs/dbraw/zinc/00/11/56/135001156.db2.gz GCYSJLSZTYYJRJ-BIIVOSGPSA-N 1 2 227.226 1.019 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000070651473 135005698 /nfs/dbraw/zinc/00/56/98/135005698.db2.gz PUUBFIILLJBYRY-UHFFFAOYSA-N 1 2 235.674 1.993 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](CC)c1nccs1 ZINC000070732925 135010661 /nfs/dbraw/zinc/01/06/61/135010661.db2.gz OHFCNJAZBYSJOE-SECBINFHSA-N 1 2 241.360 1.710 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)co1 ZINC000249077657 135032005 /nfs/dbraw/zinc/03/20/05/135032005.db2.gz SASSZRUCKAGCIC-GHMZBOCLSA-N 1 2 240.328 1.381 20 0 BDADLO c1nc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)co1 ZINC000249077657 135032008 /nfs/dbraw/zinc/03/20/08/135032008.db2.gz SASSZRUCKAGCIC-GHMZBOCLSA-N 1 2 240.328 1.381 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)[nH]1 ZINC000249270232 135036796 /nfs/dbraw/zinc/03/67/96/135036796.db2.gz ATQHTTBGGJPJIK-UWVGGRQHSA-N 1 2 238.335 1.102 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@H]2[C@H](C)O)[nH]1 ZINC000249270232 135036798 /nfs/dbraw/zinc/03/67/98/135036798.db2.gz ATQHTTBGGJPJIK-UWVGGRQHSA-N 1 2 238.335 1.102 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249359389 135036977 /nfs/dbraw/zinc/03/69/77/135036977.db2.gz ZRKQKZYYXNEREU-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249359389 135036980 /nfs/dbraw/zinc/03/69/80/135036980.db2.gz ZRKQKZYYXNEREU-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C(F)F)CC[C@H]1O ZINC000251672970 135073538 /nfs/dbraw/zinc/07/35/38/135073538.db2.gz MBCPJJFIJRHWHT-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C(F)F)CC[C@H]1O ZINC000251672970 135073539 /nfs/dbraw/zinc/07/35/39/135073539.db2.gz MBCPJJFIJRHWHT-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000252633630 135093362 /nfs/dbraw/zinc/09/33/62/135093362.db2.gz DBDUQNYNRWDBDG-IAZYJMLFSA-N 1 2 233.315 1.804 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086926910 135101628 /nfs/dbraw/zinc/10/16/28/135101628.db2.gz PMIGJVGMYZZMII-MRVPVSSYSA-N 1 2 215.293 1.095 20 0 BDADLO O[C@@H]1CC[C@@H]2CN(c3cccc[nH+]3)C[C@H]12 ZINC000252850734 135112709 /nfs/dbraw/zinc/11/27/09/135112709.db2.gz FJTIQVHQKUAAMD-OUAUKWLOSA-N 1 2 204.273 1.289 20 0 BDADLO CC[N@H+](CCO)Cc1nc(CCC(C)C)no1 ZINC000078406530 135123185 /nfs/dbraw/zinc/12/31/85/135123185.db2.gz UNWLPJJSCADUAR-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(CCC(C)C)no1 ZINC000078406530 135123186 /nfs/dbraw/zinc/12/31/86/135123186.db2.gz UNWLPJJSCADUAR-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000253600839 135127866 /nfs/dbraw/zinc/12/78/66/135127866.db2.gz ARMBBYSUIRUTAC-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CCO[C@@H](C)C1 ZINC000253600839 135127868 /nfs/dbraw/zinc/12/78/68/135127868.db2.gz ARMBBYSUIRUTAC-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(CC1CCCC1)NCc1c[nH+]c[nH]1 ZINC000084081787 135182501 /nfs/dbraw/zinc/18/25/01/135182501.db2.gz ZVXROAUAEUBDDN-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO O=C(CC1CCCC1)NCc1c[nH]c[nH+]1 ZINC000084081787 135182503 /nfs/dbraw/zinc/18/25/03/135182503.db2.gz ZVXROAUAEUBDDN-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CC1(C)C[N@H+](Cc2ccccn2)C[C@@H](CO)O1 ZINC000163788815 135185420 /nfs/dbraw/zinc/18/54/20/135185420.db2.gz SLNNKQWCCZRNLH-LBPRGKRZSA-N 1 2 236.315 1.053 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccccn2)C[C@@H](CO)O1 ZINC000163788815 135185422 /nfs/dbraw/zinc/18/54/22/135185422.db2.gz SLNNKQWCCZRNLH-LBPRGKRZSA-N 1 2 236.315 1.053 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000261577841 135219150 /nfs/dbraw/zinc/21/91/50/135219150.db2.gz LLGXLLSQWMMWCM-SNVBAGLBSA-N 1 2 241.360 1.582 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000261577841 135219151 /nfs/dbraw/zinc/21/91/51/135219151.db2.gz LLGXLLSQWMMWCM-SNVBAGLBSA-N 1 2 241.360 1.582 20 0 BDADLO CCc1nc(N2CC(C)(OC)C2)cc(C)[nH+]1 ZINC000342472475 135278303 /nfs/dbraw/zinc/27/83/03/135278303.db2.gz KQQNIRLCYWAMAD-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO CCc1ccnc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000342472284 135278704 /nfs/dbraw/zinc/27/87/04/135278704.db2.gz KIWCDZJBOPJIKO-UHFFFAOYSA-N 1 2 243.266 1.419 20 0 BDADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(=O)[O-] ZINC000262214263 135290362 /nfs/dbraw/zinc/29/03/62/135290362.db2.gz JKTOUTUQZBMERA-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(=O)[O-] ZINC000262214263 135290364 /nfs/dbraw/zinc/29/03/64/135290364.db2.gz JKTOUTUQZBMERA-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)[O-] ZINC000262214263 135290366 /nfs/dbraw/zinc/29/03/66/135290366.db2.gz JKTOUTUQZBMERA-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(=O)[O-] ZINC000262214263 135290368 /nfs/dbraw/zinc/29/03/68/135290368.db2.gz JKTOUTUQZBMERA-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262403159 135295510 /nfs/dbraw/zinc/29/55/10/135295510.db2.gz ZYWNRSKAWPHCPX-HLTSFMKQSA-N 1 2 232.274 1.288 20 0 BDADLO CO[C@@H]1CCCN(Cc2[nH+]cc(C)n2C)C1 ZINC000342790692 135318149 /nfs/dbraw/zinc/31/81/49/135318149.db2.gz AVMVDPNCGNDEJQ-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1c[nH+]c(CN2CCOCC2(C)C)n1C ZINC000342790825 135319243 /nfs/dbraw/zinc/31/92/43/135319243.db2.gz NAJLRHJKPUJVLP-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C(=O)OC ZINC000342798181 135320403 /nfs/dbraw/zinc/32/04/03/135320403.db2.gz RYMDPROACXUEAP-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1c[nH+]c(CN2CCSCC2)n1C ZINC000342796913 135320790 /nfs/dbraw/zinc/32/07/90/135320790.db2.gz CXTODQJRUVPITL-UHFFFAOYSA-N 1 2 211.334 1.277 20 0 BDADLO Cc1cnc(C[NH+]2CCSCC2)n1C ZINC000342796913 135320791 /nfs/dbraw/zinc/32/07/91/135320791.db2.gz CXTODQJRUVPITL-UHFFFAOYSA-N 1 2 211.334 1.277 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2nccn2C)n1C ZINC000342772130 135327564 /nfs/dbraw/zinc/32/75/64/135327564.db2.gz DIWCFFRYPPZJSO-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263103683 135332996 /nfs/dbraw/zinc/33/29/96/135332996.db2.gz ZQBMNZKSWWIACC-OPRDCNLKSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1nccn1C ZINC000334295017 135341994 /nfs/dbraw/zinc/34/19/94/135341994.db2.gz VJDMCTJMCPNXPR-KOLCDFICSA-N 1 2 245.330 1.351 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000366795058 135345066 /nfs/dbraw/zinc/34/50/66/135345066.db2.gz CSBUUWNSKNDKLN-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000366795058 135345068 /nfs/dbraw/zinc/34/50/68/135345068.db2.gz CSBUUWNSKNDKLN-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO CNC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000334313417 135351642 /nfs/dbraw/zinc/35/16/42/135351642.db2.gz WIVUKRXZQWYFTC-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000334313417 135351643 /nfs/dbraw/zinc/35/16/43/135351643.db2.gz WIVUKRXZQWYFTC-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)nc(C)n1 ZINC000343145347 135360639 /nfs/dbraw/zinc/36/06/39/135360639.db2.gz BUNARJYLUWNUBX-UHFFFAOYSA-N 1 2 229.287 1.226 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1C ZINC000334340525 135363398 /nfs/dbraw/zinc/36/33/98/135363398.db2.gz NADGXEYZLWQRJB-NXEZZACHSA-N 1 2 234.347 1.923 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CCC3)n2C)[C@@H]1C ZINC000334340525 135363399 /nfs/dbraw/zinc/36/33/99/135363399.db2.gz NADGXEYZLWQRJB-NXEZZACHSA-N 1 2 234.347 1.923 20 0 BDADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@H](C)C1 ZINC000334348909 135367953 /nfs/dbraw/zinc/36/79/53/135367953.db2.gz UFVBVGBUHZYSFK-LLVKDONJSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@H](C)C1 ZINC000334348909 135367955 /nfs/dbraw/zinc/36/79/55/135367955.db2.gz UFVBVGBUHZYSFK-LLVKDONJSA-N 1 2 245.326 1.863 20 0 BDADLO C[C@@H]1COCC[N@H+](CCC(F)(F)F)C1 ZINC000334353959 135369939 /nfs/dbraw/zinc/36/99/39/135369939.db2.gz JCXCOMDLHWHOSH-QMMMGPOBSA-N 1 2 211.227 1.907 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2C)c[nH+]1 ZINC000334363843 135373577 /nfs/dbraw/zinc/37/35/77/135373577.db2.gz LYGCBPJNBLGYGH-WPRPVWTQSA-N 1 2 221.304 1.884 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NCCC1CC1 ZINC000080620862 135383115 /nfs/dbraw/zinc/38/31/15/135383115.db2.gz XLSGIAACKSCJRH-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)n1 ZINC000334389680 135383282 /nfs/dbraw/zinc/38/32/82/135383282.db2.gz SIJOZUNNKZACAB-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)n1 ZINC000334389680 135383283 /nfs/dbraw/zinc/38/32/83/135383283.db2.gz SIJOZUNNKZACAB-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCO1 ZINC000076745023 135391434 /nfs/dbraw/zinc/39/14/34/135391434.db2.gz KJAIDPDWUKSHFW-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCO1 ZINC000076745023 135391435 /nfs/dbraw/zinc/39/14/35/135391435.db2.gz KJAIDPDWUKSHFW-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCSC2)cc[nH+]1 ZINC000334412012 135395555 /nfs/dbraw/zinc/39/55/55/135395555.db2.gz LMRJVOUBAWWAEV-SNVBAGLBSA-N 1 2 236.340 1.894 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)c1cnn(C)c1 ZINC000088052606 135514525 /nfs/dbraw/zinc/51/45/25/135514525.db2.gz GQVJJODYRXSXDR-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000090814781 135554467 /nfs/dbraw/zinc/55/44/67/135554467.db2.gz OPXPEBQMMDILLT-VWYCJHECSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(CF)C2)[nH+]1 ZINC000334581627 135756503 /nfs/dbraw/zinc/75/65/03/135756503.db2.gz SZDBEXMRYWSQHI-UHFFFAOYSA-N 1 2 220.251 1.672 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)c1ccc2[nH+]ccn2c1 ZINC000334853167 135823770 /nfs/dbraw/zinc/82/37/70/135823770.db2.gz GGJOYFYXHLLIRZ-NSHDSACASA-N 1 2 241.294 1.864 20 0 BDADLO Cc1cc(CNC(=O)N[C@@H]2C[C@H]2C)cc(C)[nH+]1 ZINC000334997957 135861972 /nfs/dbraw/zinc/86/19/72/135861972.db2.gz YGBADJZDOSQEMF-PRHODGIISA-N 1 2 233.315 1.906 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347710721 136002603 /nfs/dbraw/zinc/00/26/03/136002603.db2.gz XCIRBUBRNHVGSW-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347710721 136002604 /nfs/dbraw/zinc/00/26/04/136002604.db2.gz XCIRBUBRNHVGSW-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO Cc1ccnc(NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000347742138 136010551 /nfs/dbraw/zinc/01/05/51/136010551.db2.gz RRHZSVMRYKFJLH-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1ccnc(NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000347742138 136010552 /nfs/dbraw/zinc/01/05/52/136010552.db2.gz RRHZSVMRYKFJLH-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(F)cc1C(N)=O ZINC000347750054 136011296 /nfs/dbraw/zinc/01/12/96/136011296.db2.gz FKCGDNJNCWLPJY-UHFFFAOYSA-N 1 2 248.261 1.270 20 0 BDADLO CCN1CCN(c2nc(C)[nH+]c(C)c2C)CC1=O ZINC000347887425 136014812 /nfs/dbraw/zinc/01/48/12/136014812.db2.gz VJVJFIJZEJJQRH-UHFFFAOYSA-N 1 2 248.330 1.070 20 0 BDADLO CC(C)c1cc(N(C)Cc2[nH+]ccn2C)ncn1 ZINC000347869787 136016500 /nfs/dbraw/zinc/01/65/00/136016500.db2.gz RJRNZWWDUONUTF-UHFFFAOYSA-N 1 2 245.330 1.970 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NC[C@H]2C[C@@H]2C)[nH+]1 ZINC000347871064 136016909 /nfs/dbraw/zinc/01/69/09/136016909.db2.gz UQGZXYLZYPJCPI-VHSXEESVSA-N 1 2 249.362 1.551 20 0 BDADLO CC(C)c1nc(NC[C@H]2C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000347871064 136016910 /nfs/dbraw/zinc/01/69/10/136016910.db2.gz UQGZXYLZYPJCPI-VHSXEESVSA-N 1 2 249.362 1.551 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCOCC1CC1)C(=O)OC ZINC000347999711 136020318 /nfs/dbraw/zinc/02/03/18/136020318.db2.gz JKZAPOLFPCGKQM-ZYHUDNBSSA-N 1 2 243.347 1.590 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCCC(=O)OC)C(=O)OC ZINC000348012719 136021551 /nfs/dbraw/zinc/02/15/51/136021551.db2.gz UNYLRUYLGSHOAS-KOLCDFICSA-N 1 2 245.319 1.117 20 0 BDADLO C[N@H+](CC(=O)N1CCCCC1)Cc1ccoc1 ZINC000348042672 136029194 /nfs/dbraw/zinc/02/91/94/136029194.db2.gz FROHHZBGQPXKTG-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO C[N@@H+](CC(=O)N1CCCCC1)Cc1ccoc1 ZINC000348042672 136029195 /nfs/dbraw/zinc/02/91/95/136029195.db2.gz FROHHZBGQPXKTG-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO Cc1ccnc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000335312416 136030530 /nfs/dbraw/zinc/03/05/30/136030530.db2.gz WPDNTXALHPTTIV-JTQLQIEISA-N 1 2 223.345 1.722 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000335312416 136030531 /nfs/dbraw/zinc/03/05/31/136030531.db2.gz WPDNTXALHPTTIV-JTQLQIEISA-N 1 2 223.345 1.722 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CCC(C)C)C1CC1 ZINC000348186048 136037636 /nfs/dbraw/zinc/03/76/36/136037636.db2.gz DJMODWVSDYKEHT-RYUDHWBXSA-N 1 2 243.347 1.325 20 0 BDADLO CN(Cc1ccoc1)C(=O)NCc1[nH+]ccn1C ZINC000348213431 136045582 /nfs/dbraw/zinc/04/55/82/136045582.db2.gz BBVYAZZHBWOYLS-UHFFFAOYSA-N 1 2 248.286 1.355 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)nn1C ZINC000348243161 136056118 /nfs/dbraw/zinc/05/61/18/136056118.db2.gz SEGZNNKMGSLDET-SMDDNHRTSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)nn1C ZINC000348243161 136056119 /nfs/dbraw/zinc/05/61/19/136056119.db2.gz SEGZNNKMGSLDET-SMDDNHRTSA-N 1 2 249.358 1.728 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccccn1 ZINC000348243882 136056385 /nfs/dbraw/zinc/05/63/85/136056385.db2.gz VZBYHKSZKMKEND-UHFFFAOYSA-N 1 2 243.266 1.415 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)NCCn2cc[nH+]c2)C1 ZINC000335342110 136064143 /nfs/dbraw/zinc/06/41/43/136064143.db2.gz CRCBGDWICLKZBW-QWRGUYRKSA-N 1 2 236.319 1.323 20 0 BDADLO COc1cc(C[N@H+](C)Cc2ccnn2C)ccn1 ZINC000348372800 136073770 /nfs/dbraw/zinc/07/37/70/136073770.db2.gz OTZVABRYZKLVOR-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2ccnn2C)ccn1 ZINC000348372800 136073771 /nfs/dbraw/zinc/07/37/71/136073771.db2.gz OTZVABRYZKLVOR-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)CCc1c[nH+]cn1C ZINC000335368004 136081975 /nfs/dbraw/zinc/08/19/75/136081975.db2.gz QZNDICAKMGTGTK-PHIMTYICSA-N 1 2 235.331 1.752 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccncc2)CC[S@@]1=O ZINC000335371442 136083463 /nfs/dbraw/zinc/08/34/63/136083463.db2.gz CYMGZUHBJWYCPB-ZBEGNZNMSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccncc2)CC[S@@]1=O ZINC000335371442 136083464 /nfs/dbraw/zinc/08/34/64/136083464.db2.gz CYMGZUHBJWYCPB-ZBEGNZNMSA-N 1 2 238.356 1.077 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000335385870 136088959 /nfs/dbraw/zinc/08/89/59/136088959.db2.gz BJTJDFDVQCKAEG-WDEREUQCSA-N 1 2 234.299 1.302 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335393880 136091756 /nfs/dbraw/zinc/09/17/56/136091756.db2.gz AEVKIIWLNUXEII-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335393880 136091757 /nfs/dbraw/zinc/09/17/57/136091757.db2.gz AEVKIIWLNUXEII-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CC(C)COCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000367043349 136096761 /nfs/dbraw/zinc/09/67/61/136096761.db2.gz PHEYLXLRTZMRAU-NSHDSACASA-N 1 2 239.319 1.879 20 0 BDADLO CC(C)COCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000367043349 136096762 /nfs/dbraw/zinc/09/67/62/136096762.db2.gz PHEYLXLRTZMRAU-NSHDSACASA-N 1 2 239.319 1.879 20 0 BDADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000335547906 136096990 /nfs/dbraw/zinc/09/69/90/136096990.db2.gz KVGKUSSLUSOAQT-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335549723 136097642 /nfs/dbraw/zinc/09/76/42/136097642.db2.gz UIMOIJCLKDCFQH-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC1(C)C ZINC000335559917 136100699 /nfs/dbraw/zinc/10/06/99/136100699.db2.gz SAHKIIBZWJURLW-CMPLNLGQSA-N 1 2 247.342 1.702 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335560365 136105968 /nfs/dbraw/zinc/10/59/68/136105968.db2.gz UEQFACNEISVHMC-NWDGAFQWSA-N 1 2 249.358 1.948 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000335564344 136107239 /nfs/dbraw/zinc/10/72/39/136107239.db2.gz JEKUMDFLYDOSHP-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(CC1CC(F)(F)C1)Nc1cc[nH+]cc1O ZINC000335580106 136112400 /nfs/dbraw/zinc/11/24/00/136112400.db2.gz OGVSHSHRRBYTSL-UHFFFAOYSA-N 1 2 242.225 1.583 20 0 BDADLO CN(C)c1ccc(CNC(=O)C2=CCCC2)c[nH+]1 ZINC000348671071 136112888 /nfs/dbraw/zinc/11/28/88/136112888.db2.gz VRACTSTXGAIFFD-UHFFFAOYSA-N 1 2 245.326 1.874 20 0 BDADLO C[C@@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000052291968 397741007 /nfs/dbraw/zinc/74/10/07/397741007.db2.gz VDSGXHGHWMNHDS-HTRCEHHLSA-N 1 2 203.249 1.184 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccnc1 ZINC000182673630 397862642 /nfs/dbraw/zinc/86/26/42/397862642.db2.gz YKNMABMVPAFTRV-SECBINFHSA-N 1 2 243.314 1.928 20 0 BDADLO CCCCCOCc1nc(C[NH2+]C)no1 ZINC000309847763 397870716 /nfs/dbraw/zinc/87/07/16/397870716.db2.gz VKKXCDHVPHHUMN-UHFFFAOYSA-N 1 2 213.281 1.496 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@H](C)CCO)cc[nH+]1 ZINC000650107414 397927650 /nfs/dbraw/zinc/92/76/50/397927650.db2.gz OJZJAPVSIVCYFJ-SNVBAGLBSA-N 1 2 237.303 1.047 20 0 BDADLO C[C@H](Cc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114336061 397931057 /nfs/dbraw/zinc/93/10/57/397931057.db2.gz WPBLLLFPORDEJH-LLVKDONJSA-N 1 2 243.310 1.905 20 0 BDADLO CC(C)n1ccc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000265338542 397932984 /nfs/dbraw/zinc/93/29/84/397932984.db2.gz OSLHFARXXGFAIO-GFCCVEGCSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1ccc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000265338542 397932989 /nfs/dbraw/zinc/93/29/89/397932989.db2.gz OSLHFARXXGFAIO-GFCCVEGCSA-N 1 2 223.320 1.685 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nn2c1CCCC2 ZINC000649578186 397967224 /nfs/dbraw/zinc/96/72/24/397967224.db2.gz JPDXRVZIROKFFG-UHFFFAOYSA-N 1 2 217.316 1.981 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nn2c1CCCC2 ZINC000649578186 397967227 /nfs/dbraw/zinc/96/72/27/397967227.db2.gz JPDXRVZIROKFFG-UHFFFAOYSA-N 1 2 217.316 1.981 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCC[C@H]1CCO ZINC000493479243 397953973 /nfs/dbraw/zinc/95/39/73/397953973.db2.gz BXKRWTKDNWVEBO-WYGGZMRJSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCC[C@H]1CCO ZINC000493479244 397954462 /nfs/dbraw/zinc/95/44/62/397954462.db2.gz BXKRWTKDNWVEBO-ZWNMCFTASA-N 1 2 249.314 1.186 20 0 BDADLO CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493565306 397958974 /nfs/dbraw/zinc/95/89/74/397958974.db2.gz KDZVJHQQAWXDRP-QRGHLMKCSA-N 1 2 249.314 1.450 20 0 BDADLO CCc1nocc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000590605220 397906021 /nfs/dbraw/zinc/90/60/21/397906021.db2.gz FADZFODDHGOAQG-XXFAHNHDSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1nocc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000590605220 397906025 /nfs/dbraw/zinc/90/60/25/397906025.db2.gz FADZFODDHGOAQG-XXFAHNHDSA-N 1 2 244.360 1.436 20 0 BDADLO CCOC[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000336775487 397909863 /nfs/dbraw/zinc/90/98/63/397909863.db2.gz ZFFAMLGDEUBWJW-JTQLQIEISA-N 1 2 223.320 1.859 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264304760 397919558 /nfs/dbraw/zinc/91/95/58/397919558.db2.gz WSIINTJMMUIUEG-NSHDSACASA-N 1 2 237.274 1.788 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264304760 397919559 /nfs/dbraw/zinc/91/95/59/397919559.db2.gz WSIINTJMMUIUEG-NSHDSACASA-N 1 2 237.274 1.788 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)Cc1ccccn1 ZINC000649620208 398002506 /nfs/dbraw/zinc/00/25/06/398002506.db2.gz RFUNFSYGXDNBKQ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccccn1 ZINC000649620208 398002509 /nfs/dbraw/zinc/00/25/09/398002509.db2.gz RFUNFSYGXDNBKQ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO COCc1cc[nH+]c(NCc2ccc(CO)o2)c1 ZINC000650243972 398006465 /nfs/dbraw/zinc/00/64/65/398006465.db2.gz XHKMXGKSGRUIND-UHFFFAOYSA-N 1 2 248.282 1.925 20 0 BDADLO CCn1nncc1CNc1cc(COC)cc[nH+]1 ZINC000650243377 398006482 /nfs/dbraw/zinc/00/64/82/398006482.db2.gz WNXGSBNUWDPFNP-UHFFFAOYSA-N 1 2 247.302 1.452 20 0 BDADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccn(C)n1 ZINC000649627534 398009234 /nfs/dbraw/zinc/00/92/34/398009234.db2.gz LBIJHTSNUPPKGR-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO COCC[C@@H](C)CNc1cc(CO)cc[nH+]1 ZINC000641634344 398021239 /nfs/dbraw/zinc/02/12/39/398021239.db2.gz ZCOMUNWFSQJBRJ-SNVBAGLBSA-N 1 2 224.304 1.658 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1C/C=C/Cl ZINC000276738103 398024187 /nfs/dbraw/zinc/02/41/87/398024187.db2.gz CQCBJIIKRIETNA-SGJFDWMWSA-N 1 2 212.684 1.407 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1C/C=C/Cl ZINC000276738103 398024190 /nfs/dbraw/zinc/02/41/90/398024190.db2.gz CQCBJIIKRIETNA-SGJFDWMWSA-N 1 2 212.684 1.407 20 0 BDADLO CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649658885 398028592 /nfs/dbraw/zinc/02/85/92/398028592.db2.gz BFOXNSUDPSRHQR-SNVBAGLBSA-N 1 2 209.293 1.703 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000277548485 398031444 /nfs/dbraw/zinc/03/14/44/398031444.db2.gz QVGTWBUZQVGXSI-QLJPJBMISA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)o1 ZINC000277548485 398031447 /nfs/dbraw/zinc/03/14/47/398031447.db2.gz QVGTWBUZQVGXSI-QLJPJBMISA-N 1 2 241.356 1.788 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000408169208 397971663 /nfs/dbraw/zinc/97/16/63/397971663.db2.gz OLXFBOCJSQDLGE-NXEZZACHSA-N 1 2 234.299 1.974 20 0 BDADLO Cc1nnsc1C[NH2+][C@H](C)c1ccon1 ZINC000649585818 397974558 /nfs/dbraw/zinc/97/45/58/397974558.db2.gz HPGZIVHHQYQXAN-ZCFIWIBFSA-N 1 2 224.289 1.685 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccns2)[C@@H](C)CO1 ZINC000637930113 398042655 /nfs/dbraw/zinc/04/26/55/398042655.db2.gz KMWSRHRKGDXDNC-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccns2)[C@@H](C)CO1 ZINC000637930113 398042659 /nfs/dbraw/zinc/04/26/59/398042659.db2.gz KMWSRHRKGDXDNC-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N1CCCC(F)(F)C1 ZINC000649695349 398042970 /nfs/dbraw/zinc/04/29/70/398042970.db2.gz SITNPSFDKQBTID-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cncs2)[C@H]1C ZINC000093417831 397988242 /nfs/dbraw/zinc/98/82/42/397988242.db2.gz UDZJEPPQDAAOKT-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cncs2)[C@H]1C ZINC000093417831 397988244 /nfs/dbraw/zinc/98/82/44/397988244.db2.gz UDZJEPPQDAAOKT-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnns2)[C@H](CC)CO1 ZINC000649718839 398059915 /nfs/dbraw/zinc/05/99/15/398059915.db2.gz HTHLNEQYWRWREZ-NXEZZACHSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnns2)[C@H](CC)CO1 ZINC000649718839 398059919 /nfs/dbraw/zinc/05/99/19/398059919.db2.gz HTHLNEQYWRWREZ-NXEZZACHSA-N 1 2 241.360 1.928 20 0 BDADLO CCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649722042 398066196 /nfs/dbraw/zinc/06/61/96/398066196.db2.gz HHKMMPJBYCFHAB-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649722042 398066198 /nfs/dbraw/zinc/06/61/98/398066198.db2.gz HHKMMPJBYCFHAB-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649730749 398069265 /nfs/dbraw/zinc/06/92/65/398069265.db2.gz XFQDNEBMLWHLHJ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649730749 398069268 /nfs/dbraw/zinc/06/92/68/398069268.db2.gz XFQDNEBMLWHLHJ-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000649732174 398072793 /nfs/dbraw/zinc/07/27/93/398072793.db2.gz TXSRIGDEMUASPB-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000649732174 398072795 /nfs/dbraw/zinc/07/27/95/398072795.db2.gz TXSRIGDEMUASPB-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO COc1nccnc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000648504900 398072924 /nfs/dbraw/zinc/07/29/24/398072924.db2.gz ROAJCHQIOFDGKW-NXEZZACHSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccnc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000648504900 398072926 /nfs/dbraw/zinc/07/29/26/398072926.db2.gz ROAJCHQIOFDGKW-NXEZZACHSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccnc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000648504903 398073802 /nfs/dbraw/zinc/07/38/02/398073802.db2.gz ROAJCHQIOFDGKW-ZJUUUORDSA-N 1 2 239.294 1.665 20 0 BDADLO COc1nccnc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000648504903 398073809 /nfs/dbraw/zinc/07/38/09/398073809.db2.gz ROAJCHQIOFDGKW-ZJUUUORDSA-N 1 2 239.294 1.665 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000291121702 398090049 /nfs/dbraw/zinc/09/00/49/398090049.db2.gz AXMLYGJLNWJIAQ-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000291121702 398090050 /nfs/dbraw/zinc/09/00/50/398090050.db2.gz AXMLYGJLNWJIAQ-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC000649714915 398056719 /nfs/dbraw/zinc/05/67/19/398056719.db2.gz OZLDPPQBKBOYEO-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC000649714915 398056721 /nfs/dbraw/zinc/05/67/21/398056721.db2.gz OZLDPPQBKBOYEO-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC000649716661 398057542 /nfs/dbraw/zinc/05/75/42/398057542.db2.gz JWLNFRABJQUJKE-LBPRGKRZSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC000649716661 398057545 /nfs/dbraw/zinc/05/75/45/398057545.db2.gz JWLNFRABJQUJKE-LBPRGKRZSA-N 1 2 237.347 1.810 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000293655796 398116561 /nfs/dbraw/zinc/11/65/61/398116561.db2.gz NLPXCCTXYXOHKH-QMMMGPOBSA-N 1 2 243.253 1.891 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000293655796 398116563 /nfs/dbraw/zinc/11/65/63/398116563.db2.gz NLPXCCTXYXOHKH-QMMMGPOBSA-N 1 2 243.253 1.891 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccon1)C(F)(F)F ZINC000389642791 398117389 /nfs/dbraw/zinc/11/73/89/398117389.db2.gz RGZHAUXOPLLZTI-SSDOTTSWSA-N 1 2 224.182 1.078 20 0 BDADLO NCC(F)(F)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414929919 398110826 /nfs/dbraw/zinc/11/08/26/398110826.db2.gz OLBQLVQYDZMLRG-GFCCVEGCSA-N 1 2 240.297 1.728 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000643251757 398111970 /nfs/dbraw/zinc/11/19/70/398111970.db2.gz OVOJJUQDVVAUDA-IUCAKERBSA-N 1 2 234.303 1.071 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000643251757 398111974 /nfs/dbraw/zinc/11/19/74/398111974.db2.gz OVOJJUQDVVAUDA-IUCAKERBSA-N 1 2 234.303 1.071 20 0 BDADLO Cn1nc2c(c1C[NH2+]Cc1cc[nH]n1)CCCC2 ZINC000567007510 398124244 /nfs/dbraw/zinc/12/42/44/398124244.db2.gz ZEWYOVJRXOZJBH-UHFFFAOYSA-N 1 2 245.330 1.312 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CSC1CC1 ZINC000294335383 398125233 /nfs/dbraw/zinc/12/52/33/398125233.db2.gz FDDUTWFGGMTMRK-VIFPVBQESA-N 1 2 239.344 1.283 20 0 BDADLO Cc1nocc1CNc1ccc(CO)c[nH+]1 ZINC000294628033 398128918 /nfs/dbraw/zinc/12/89/18/398128918.db2.gz JMYYYRYORCUFLI-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO COCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000253447745 398122198 /nfs/dbraw/zinc/12/21/98/398122198.db2.gz LBNJQRVIYFZNLE-UHFFFAOYSA-N 1 2 222.292 1.499 20 0 BDADLO COCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000253447745 398122200 /nfs/dbraw/zinc/12/22/00/398122200.db2.gz LBNJQRVIYFZNLE-UHFFFAOYSA-N 1 2 222.292 1.499 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)ncn1 ZINC000649821392 398122671 /nfs/dbraw/zinc/12/26/71/398122671.db2.gz GHBYNZQMUOVMJU-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)ncn1 ZINC000649821392 398122672 /nfs/dbraw/zinc/12/26/72/398122672.db2.gz GHBYNZQMUOVMJU-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn[nH]2)CCc2ccccc21 ZINC000649835666 398133679 /nfs/dbraw/zinc/13/36/79/398133679.db2.gz NKQCKORMFDBRFL-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn[nH]2)CCc2ccccc21 ZINC000649835666 398133682 /nfs/dbraw/zinc/13/36/82/398133682.db2.gz NKQCKORMFDBRFL-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn[nH]2)CCc2ccccc21 ZINC000649835665 398133800 /nfs/dbraw/zinc/13/38/00/398133800.db2.gz NKQCKORMFDBRFL-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)CCc2ccccc21 ZINC000649835665 398133802 /nfs/dbraw/zinc/13/38/02/398133802.db2.gz NKQCKORMFDBRFL-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cnn(C)c1 ZINC000398259758 322868229 /nfs/dbraw/zinc/86/82/29/322868229.db2.gz BSKMUQLRPUTDKE-SFYZADRCSA-N 1 2 237.332 1.683 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@@H](O)C2CC2)[nH+]1 ZINC000674338035 487561756 /nfs/dbraw/zinc/56/17/56/487561756.db2.gz KWJKKFHVWKVLFI-LLVKDONJSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CC(C2CCOCC2)C1 ZINC000669715295 487567137 /nfs/dbraw/zinc/56/71/37/487567137.db2.gz BRYLUOBURIQZPJ-UHFFFAOYSA-N 1 2 235.331 1.577 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)OCC(C)C ZINC000530774776 322893272 /nfs/dbraw/zinc/89/32/72/322893272.db2.gz UCSZXCNKEJOBDP-SNVBAGLBSA-N 1 2 239.319 1.395 20 0 BDADLO O=C(c1ccccc1F)N1CCc2[nH]c[nH+]c2C1 ZINC000074785500 487574676 /nfs/dbraw/zinc/57/46/76/487574676.db2.gz RSYVPLSTDGWSJQ-UHFFFAOYSA-N 1 2 245.257 1.747 20 0 BDADLO O=C(c1ccccc1F)N1CCc2[nH+]c[nH]c2C1 ZINC000074785500 487574679 /nfs/dbraw/zinc/57/46/79/487574679.db2.gz RSYVPLSTDGWSJQ-UHFFFAOYSA-N 1 2 245.257 1.747 20 0 BDADLO CC(C)OCCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352762827 167216342 /nfs/dbraw/zinc/21/63/42/167216342.db2.gz YHLAANPDNIGLIN-IAQYHMDHSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OCCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000352762827 167216344 /nfs/dbraw/zinc/21/63/44/167216344.db2.gz YHLAANPDNIGLIN-IAQYHMDHSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000359517408 167261319 /nfs/dbraw/zinc/26/13/19/167261319.db2.gz VYIRCIZOYWBYEM-NSHDSACASA-N 1 2 217.284 1.331 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000359517408 167261316 /nfs/dbraw/zinc/26/13/16/167261316.db2.gz VYIRCIZOYWBYEM-NSHDSACASA-N 1 2 217.284 1.331 20 0 BDADLO CC(C)OCCNC(=O)CCCn1cc[nH+]c1 ZINC000680406641 487589721 /nfs/dbraw/zinc/58/97/21/487589721.db2.gz ZRNTUSCNRMKJMM-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC000674517196 487592046 /nfs/dbraw/zinc/59/20/46/487592046.db2.gz CDPYXCKWWSGHBX-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CCC1 ZINC000661412758 487598283 /nfs/dbraw/zinc/59/82/83/487598283.db2.gz JBKABMPYGYUREH-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CCC1 ZINC000661412758 487598287 /nfs/dbraw/zinc/59/82/87/487598287.db2.gz JBKABMPYGYUREH-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](C2CC2)C1 ZINC000556701004 322919666 /nfs/dbraw/zinc/91/96/66/322919666.db2.gz PJEZJMDACLCFCQ-LLVKDONJSA-N 1 2 219.288 1.142 20 0 BDADLO O=C(Cc1ccco1)N1CC(n2cc[nH+]c2)C1 ZINC000532497761 487603068 /nfs/dbraw/zinc/60/30/68/487603068.db2.gz UZYSVSFEVHSVJO-UHFFFAOYSA-N 1 2 231.255 1.102 20 0 BDADLO CCc1cc(NCCC[C@@H]2CCOC2)nc[nH+]1 ZINC000402305898 487607192 /nfs/dbraw/zinc/60/71/92/487607192.db2.gz PQHUSKDGTVGZFQ-LLVKDONJSA-N 1 2 235.331 1.690 20 0 BDADLO CC(C)SCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000338292858 167324895 /nfs/dbraw/zinc/32/48/95/167324895.db2.gz SHIDNJXJEGDAIE-UHFFFAOYSA-N 1 2 244.404 1.681 20 0 BDADLO CC(C)SCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000338292858 167324898 /nfs/dbraw/zinc/32/48/98/167324898.db2.gz SHIDNJXJEGDAIE-UHFFFAOYSA-N 1 2 244.404 1.681 20 0 BDADLO CC1(C)COC[C@@H]1[NH2+]Cc1csnn1 ZINC000306340858 487608409 /nfs/dbraw/zinc/60/84/09/487608409.db2.gz ZSYTZDZSLIZHFB-QMMMGPOBSA-N 1 2 213.306 1.053 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC[C@H](C)O)s1 ZINC000662256393 409552073 /nfs/dbraw/zinc/55/20/73/409552073.db2.gz LJHKHPPKBAEVQQ-QMMMGPOBSA-N 1 2 229.349 1.439 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC[C@H](C)O)s1 ZINC000662256393 409552082 /nfs/dbraw/zinc/55/20/82/409552082.db2.gz LJHKHPPKBAEVQQ-QMMMGPOBSA-N 1 2 229.349 1.439 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2csnn2)C[C@H]1C ZINC000660719610 409643979 /nfs/dbraw/zinc/64/39/79/409643979.db2.gz DFYAIAQEODHTEL-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2csnn2)C[C@H]1C ZINC000660719610 409643984 /nfs/dbraw/zinc/64/39/84/409643984.db2.gz DFYAIAQEODHTEL-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000651956219 409653755 /nfs/dbraw/zinc/65/37/55/409653755.db2.gz QECLNDNBVMTYKX-JTQLQIEISA-N 1 2 237.347 1.559 20 0 BDADLO C[C@]1(C(F)F)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000662372655 409679232 /nfs/dbraw/zinc/67/92/32/409679232.db2.gz VKVDWYXMPFVPGA-SNVBAGLBSA-N 1 2 231.246 1.266 20 0 BDADLO C[C@]1(C(F)F)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000662372655 409679238 /nfs/dbraw/zinc/67/92/38/409679238.db2.gz VKVDWYXMPFVPGA-SNVBAGLBSA-N 1 2 231.246 1.266 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@H]1CCc2ccccc21 ZINC000660841270 409834290 /nfs/dbraw/zinc/83/42/90/409834290.db2.gz CMKUXYGGZPOCRQ-NSHDSACASA-N 1 2 245.282 1.895 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@H]1CCc2ccccc21 ZINC000660841270 409834298 /nfs/dbraw/zinc/83/42/98/409834298.db2.gz CMKUXYGGZPOCRQ-NSHDSACASA-N 1 2 245.282 1.895 20 0 BDADLO CC(C)OC1CC([N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000660843677 409838807 /nfs/dbraw/zinc/83/88/07/409838807.db2.gz HGMNSTZATKWSFB-UHFFFAOYSA-N 1 2 241.291 1.163 20 0 BDADLO CC(C)OC1CC([N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000660843677 409838810 /nfs/dbraw/zinc/83/88/10/409838810.db2.gz HGMNSTZATKWSFB-UHFFFAOYSA-N 1 2 241.291 1.163 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660844902 409843281 /nfs/dbraw/zinc/84/32/81/409843281.db2.gz WSTWITOFDKYTSN-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cn1 ZINC000660844902 409843288 /nfs/dbraw/zinc/84/32/88/409843288.db2.gz WSTWITOFDKYTSN-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)[C@H](C)C1 ZINC000660860527 409880693 /nfs/dbraw/zinc/88/06/93/409880693.db2.gz AAKDETPQZHYBLW-NXEZZACHSA-N 1 2 208.309 1.468 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)[C@H](C)C1 ZINC000660860527 409880696 /nfs/dbraw/zinc/88/06/96/409880696.db2.gz AAKDETPQZHYBLW-NXEZZACHSA-N 1 2 208.309 1.468 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc3cccnc3o2)nn1 ZINC000651973409 409960947 /nfs/dbraw/zinc/96/09/47/409960947.db2.gz RKGTWVDGCUZLMA-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000651974586 409964177 /nfs/dbraw/zinc/96/41/77/409964177.db2.gz IQGOFRRTBWEWOL-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000651974586 409964183 /nfs/dbraw/zinc/96/41/83/409964183.db2.gz IQGOFRRTBWEWOL-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000651974586 409964190 /nfs/dbraw/zinc/96/41/90/409964190.db2.gz IQGOFRRTBWEWOL-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000651974586 409964195 /nfs/dbraw/zinc/96/41/95/409964195.db2.gz IQGOFRRTBWEWOL-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2ccco2)[nH+]1 ZINC000628120471 410021999 /nfs/dbraw/zinc/02/19/99/410021999.db2.gz OVFLKVDVOIXVGK-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO C[C@@H](NC(=O)CCCC(=O)C1CC1)c1[nH]cc[nH+]1 ZINC000655401961 410205838 /nfs/dbraw/zinc/20/58/38/410205838.db2.gz MLKGRHAQQRWIRH-SECBINFHSA-N 1 2 249.314 1.736 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CC1(F)F)c1[nH]cc[nH+]1 ZINC000655401988 410206310 /nfs/dbraw/zinc/20/63/10/410206310.db2.gz QIROMQMRBKRZOM-MUWHJKNJSA-N 1 2 229.230 1.632 20 0 BDADLO C[C@H](O)CN(C)c1[nH+]ccc2c(N)cccc21 ZINC000663429623 410221706 /nfs/dbraw/zinc/22/17/06/410221706.db2.gz FFIPHQNSQKZSFH-VIFPVBQESA-N 1 2 231.299 1.634 20 0 BDADLO c1cc(C[NH2+][C@H]2CNc3ccccc3C2)[nH]n1 ZINC000650716803 410350661 /nfs/dbraw/zinc/35/06/61/410350661.db2.gz KDBROJVLQBHOHV-GFCCVEGCSA-N 1 2 228.299 1.536 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](CO)C2CCC2)no1 ZINC000661154008 410307101 /nfs/dbraw/zinc/30/71/01/410307101.db2.gz KMIIVYFOJSQPNX-SNVBAGLBSA-N 1 2 239.319 1.444 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](CO)C2CCC2)no1 ZINC000661156771 410310574 /nfs/dbraw/zinc/31/05/74/410310574.db2.gz UZDKBVMTBIFDRJ-JTQLQIEISA-N 1 2 239.319 1.273 20 0 BDADLO CCc1ncnc(NCc2ccc[nH+]c2N)c1F ZINC000663962170 410404558 /nfs/dbraw/zinc/40/45/58/410404558.db2.gz LOGQRFXWDNYHBT-UHFFFAOYSA-N 1 2 247.277 1.767 20 0 BDADLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(CO)nn1 ZINC000664087104 410457539 /nfs/dbraw/zinc/45/75/39/410457539.db2.gz RVEMWYNSLSVZQI-UHFFFAOYSA-N 1 2 246.314 1.646 20 0 BDADLO Cc1cc(N2CCC3(COC3)C2)nc(C2CC2)[nH+]1 ZINC000664570269 410604425 /nfs/dbraw/zinc/60/44/25/410604425.db2.gz RBMIQKAWCUFJHE-UHFFFAOYSA-N 1 2 245.326 1.889 20 0 BDADLO CC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650983128 410671337 /nfs/dbraw/zinc/67/13/37/410671337.db2.gz SSOSRYZDUWCSKI-JTQLQIEISA-N 1 2 235.331 1.677 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@](C)(CO)C2)c(C)c(C)[nH+]1 ZINC000664599375 410611048 /nfs/dbraw/zinc/61/10/48/410611048.db2.gz WHACIYYVRXHISO-LKFCYVNXSA-N 1 2 249.358 1.857 20 0 BDADLO O[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)CC1(F)F ZINC000661414272 410625142 /nfs/dbraw/zinc/62/51/42/410625142.db2.gz SCTLFZMNJZTMQA-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)CC1(F)F ZINC000661414272 410625149 /nfs/dbraw/zinc/62/51/49/410625149.db2.gz SCTLFZMNJZTMQA-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000650958453 410651548 /nfs/dbraw/zinc/65/15/48/410651548.db2.gz YKXWNIKDLTXMIN-ZJUUUORDSA-N 1 2 221.304 1.125 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H](O)CCC(C)C)o1 ZINC000661529020 410729479 /nfs/dbraw/zinc/72/94/79/410729479.db2.gz HQDRGCBESSQDQN-LLVKDONJSA-N 1 2 241.335 1.607 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H](O)CCC(C)C)o1 ZINC000661529020 410729485 /nfs/dbraw/zinc/72/94/85/410729485.db2.gz HQDRGCBESSQDQN-LLVKDONJSA-N 1 2 241.335 1.607 20 0 BDADLO C/C=C\CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000624656660 410677458 /nfs/dbraw/zinc/67/74/58/410677458.db2.gz XFWCJZZHEWVIGN-ZBJFTSOASA-N 1 2 222.292 1.257 20 0 BDADLO C/C=C\CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000624656660 410677464 /nfs/dbraw/zinc/67/74/64/410677464.db2.gz XFWCJZZHEWVIGN-ZBJFTSOASA-N 1 2 222.292 1.257 20 0 BDADLO Cc1ncc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cn1 ZINC000661462117 410678022 /nfs/dbraw/zinc/67/80/22/410678022.db2.gz GWQLKMNKAAQQOO-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ncc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cn1 ZINC000661462117 410678027 /nfs/dbraw/zinc/67/80/27/410678027.db2.gz GWQLKMNKAAQQOO-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO COC[C@@H](C)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000362215858 410688490 /nfs/dbraw/zinc/68/84/90/410688490.db2.gz DNDSKRYVXQVJIV-NSHDSACASA-N 1 2 246.314 1.384 20 0 BDADLO CCc1cc(NC[C@H](C)CCCO)nc[nH+]1 ZINC000394979944 410833904 /nfs/dbraw/zinc/83/39/04/410833904.db2.gz VUYNUFJNMHFVGJ-SNVBAGLBSA-N 1 2 223.320 1.281 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000271674122 167025733 /nfs/dbraw/zinc/02/57/33/167025733.db2.gz XQOQKIUKRCCSLB-NSHDSACASA-N 1 2 226.295 1.555 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000271674122 167025736 /nfs/dbraw/zinc/02/57/36/167025736.db2.gz XQOQKIUKRCCSLB-NSHDSACASA-N 1 2 226.295 1.555 20 0 BDADLO CC(C)NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375007058 167051185 /nfs/dbraw/zinc/05/11/85/167051185.db2.gz XXCCZFSIAVEANV-SNVBAGLBSA-N 1 2 236.319 1.071 20 0 BDADLO CC(C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281127189 167079049 /nfs/dbraw/zinc/07/90/49/167079049.db2.gz YAOISPKTEITEDF-UHFFFAOYSA-N 1 2 218.260 1.864 20 0 BDADLO CC(C)[NH2+]c1ccc(NS(C)(=O)=O)cc1 ZINC000037077084 167147945 /nfs/dbraw/zinc/14/79/45/167147945.db2.gz DFHSXUOUYMZBGS-UHFFFAOYSA-N 1 2 228.317 1.878 20 0 BDADLO CC(C)OCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283014751 167192288 /nfs/dbraw/zinc/19/22/88/167192288.db2.gz NFQAZCGDOWQHNY-NSHDSACASA-N 1 2 239.319 1.648 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651302711 410909877 /nfs/dbraw/zinc/90/98/77/410909877.db2.gz OHHLLCKNXNSJHN-VXGBXAGGSA-N 1 2 247.342 1.895 20 0 BDADLO CC(C)OCCCC(=O)NCc1[nH+]ccn1C ZINC000273130637 167204668 /nfs/dbraw/zinc/20/46/68/167204668.db2.gz PTEDUMJHVGICJC-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO CC(C)Oc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000171029142 167294116 /nfs/dbraw/zinc/29/41/16/167294116.db2.gz QIFBDBDLPNTLOK-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CC(C)Oc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000171029142 167294119 /nfs/dbraw/zinc/29/41/19/167294119.db2.gz QIFBDBDLPNTLOK-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000172155752 167350651 /nfs/dbraw/zinc/35/06/51/167350651.db2.gz NXZBEZNPLJXLJH-LLVKDONJSA-N 1 2 223.320 1.682 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccccn1)c1[nH]cc[nH+]1 ZINC000276624604 167428032 /nfs/dbraw/zinc/42/80/32/167428032.db2.gz ONIHABWAQJCDKZ-LLVKDONJSA-N 1 2 244.298 1.932 20 0 BDADLO Cc1cc(N2CCC(C3(O)CC3)CC2)nc[nH+]1 ZINC000651379796 410965224 /nfs/dbraw/zinc/96/52/24/410965224.db2.gz UNCCUAWHHUZAHV-UHFFFAOYSA-N 1 2 233.315 1.526 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000651472508 411052629 /nfs/dbraw/zinc/05/26/29/411052629.db2.gz XPADWRTUGIYXCL-GGZOMVNGSA-N 1 2 239.319 1.173 20 0 BDADLO Cc1nc(N(C)C)nc(NC2CC3(CCC3)C2)[nH+]1 ZINC000651473439 411054234 /nfs/dbraw/zinc/05/42/34/411054234.db2.gz NOYYZAQMDDZVTM-UHFFFAOYSA-N 1 2 247.346 1.413 20 0 BDADLO Cc1nc(NC2CC3(CCC3)C2)nc(N(C)C)[nH+]1 ZINC000651473439 411054237 /nfs/dbraw/zinc/05/42/37/411054237.db2.gz NOYYZAQMDDZVTM-UHFFFAOYSA-N 1 2 247.346 1.413 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)C[C@H]2COCCO2)o1 ZINC000661612695 411056048 /nfs/dbraw/zinc/05/60/48/411056048.db2.gz TZHAFIZIUAOEOX-QWRGUYRKSA-N 1 2 240.303 1.391 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)C[C@H]2COCCO2)o1 ZINC000661612695 411056052 /nfs/dbraw/zinc/05/60/52/411056052.db2.gz TZHAFIZIUAOEOX-QWRGUYRKSA-N 1 2 240.303 1.391 20 0 BDADLO CCC[C@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000652021070 411028725 /nfs/dbraw/zinc/02/87/25/411028725.db2.gz RWCFEUGPGSHXIV-JTQLQIEISA-N 1 2 238.335 1.891 20 0 BDADLO Cc1nc(N[C@H](C)COCC2CC2)cc[nH+]1 ZINC000651457884 411039392 /nfs/dbraw/zinc/03/93/92/411039392.db2.gz NVOFHHQTLFEQNR-SECBINFHSA-N 1 2 221.304 1.434 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2CC)[C@H](C)CO1 ZINC000651932122 411150818 /nfs/dbraw/zinc/15/08/18/411150818.db2.gz LUFCVNBCEUCKJH-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2CC)[C@H](C)CO1 ZINC000651932122 411150819 /nfs/dbraw/zinc/15/08/19/411150819.db2.gz LUFCVNBCEUCKJH-DGCLKSJQSA-N 1 2 237.347 1.902 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047662307 411161667 /nfs/dbraw/zinc/16/16/67/411161667.db2.gz HESIDXNVNZEKLC-GHMZBOCLSA-N 1 2 238.335 1.759 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](F)C2)nn1C ZINC000652076270 411108005 /nfs/dbraw/zinc/10/80/05/411108005.db2.gz XITJUBOFLUWXLN-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](F)C2)nn1C ZINC000652076270 411108006 /nfs/dbraw/zinc/10/80/06/411108006.db2.gz XITJUBOFLUWXLN-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(NCCN(C)CC(F)F)nc[nH+]1 ZINC000624762487 411125992 /nfs/dbraw/zinc/12/59/92/411125992.db2.gz VUXIYELUYARZKU-UHFFFAOYSA-N 1 2 230.262 1.394 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCCO1 ZINC000656103863 411178978 /nfs/dbraw/zinc/17/89/78/411178978.db2.gz NVYFBEPCIGMNGX-VIFPVBQESA-N 1 2 223.276 1.385 20 0 BDADLO COCCCCNc1nc(C)[nH+]cc1C ZINC000656108898 411179473 /nfs/dbraw/zinc/17/94/73/411179473.db2.gz IFMLJHOFISYGAJ-UHFFFAOYSA-N 1 2 209.293 1.932 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+]1CCn2nncc2C1 ZINC000653793063 411179664 /nfs/dbraw/zinc/17/96/64/411179664.db2.gz BDNZCMLNMIJQCU-GFCCVEGCSA-N 1 2 238.335 1.155 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+]1CCn2nncc2C1 ZINC000653793063 411179667 /nfs/dbraw/zinc/17/96/67/411179667.db2.gz BDNZCMLNMIJQCU-GFCCVEGCSA-N 1 2 238.335 1.155 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H](C)OC ZINC000656117213 411181861 /nfs/dbraw/zinc/18/18/61/411181861.db2.gz DWNYLBNWRGTTSV-QMMMGPOBSA-N 1 2 225.292 1.631 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@]1(C)CCOC1 ZINC000656125464 411183256 /nfs/dbraw/zinc/18/32/56/411183256.db2.gz ODGNKGQFWXFRIU-LBPRGKRZSA-N 1 2 237.303 1.632 20 0 BDADLO C[C@H](CC(=O)N1CC(C2CC2)C1)n1cc[nH+]c1 ZINC000652266222 411183544 /nfs/dbraw/zinc/18/35/44/411183544.db2.gz ZHZRJTZRVNWRHA-SNVBAGLBSA-N 1 2 233.315 1.703 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCOCC2(CC2)C1 ZINC000656155760 411186035 /nfs/dbraw/zinc/18/60/35/411186035.db2.gz AFDFSHIKGMFCME-UHFFFAOYSA-N 1 2 249.314 1.410 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@H](O)C1(C)C ZINC000656165198 411189380 /nfs/dbraw/zinc/18/93/80/411189380.db2.gz ZZTAQFFPSPEEID-IUCAKERBSA-N 1 2 237.303 1.365 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](O)[C@@H](C)C1 ZINC000656164105 411190061 /nfs/dbraw/zinc/19/00/61/411190061.db2.gz CKNCKMWPPBLNOK-WPRPVWTQSA-N 1 2 237.303 1.001 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1(CO)CCC1 ZINC000656158229 411190409 /nfs/dbraw/zinc/19/04/09/411190409.db2.gz HMXHPBGYPUDNQY-UHFFFAOYSA-N 1 2 237.303 1.368 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC1CC=CC1 ZINC000652447395 411244222 /nfs/dbraw/zinc/24/42/22/411244222.db2.gz FBGSYHPBUHYBHT-SNVBAGLBSA-N 1 2 248.330 1.982 20 0 BDADLO CCc1cc(NCc2cn(C(C)C)nn2)nc[nH+]1 ZINC000656189315 411197284 /nfs/dbraw/zinc/19/72/84/411197284.db2.gz MHEXXZYYIKHXLY-UHFFFAOYSA-N 1 2 246.318 1.824 20 0 BDADLO CCc1cc(=O)[nH]c(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000548097164 411200672 /nfs/dbraw/zinc/20/06/72/411200672.db2.gz VJZFQDLXMXSKJH-IUCAKERBSA-N 1 2 221.304 1.727 20 0 BDADLO CCc1nnc(C[NH2+][C@H]2CCCn3nccc32)[nH]1 ZINC000658024351 411201400 /nfs/dbraw/zinc/20/14/00/411201400.db2.gz STENGJJFPHNJCL-VIFPVBQESA-N 1 2 246.318 1.188 20 0 BDADLO CCc1nnc(C[NH2+][C@@H]2CCCn3nccc32)[nH]1 ZINC000658024350 411201501 /nfs/dbraw/zinc/20/15/01/411201501.db2.gz STENGJJFPHNJCL-SECBINFHSA-N 1 2 246.318 1.188 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2cccnc2)n1 ZINC000653889321 411210417 /nfs/dbraw/zinc/21/04/17/411210417.db2.gz ZJLPIJIDLGUDNX-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2cccnc2)n1 ZINC000653889321 411210419 /nfs/dbraw/zinc/21/04/19/411210419.db2.gz ZJLPIJIDLGUDNX-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CCc1nc(N(C[C@H](C)O)C2CC2)cc(C)[nH+]1 ZINC000656231000 411215267 /nfs/dbraw/zinc/21/52/67/411215267.db2.gz ZTAFFPFHGZOIDL-JTQLQIEISA-N 1 2 235.331 1.697 20 0 BDADLO CCc1nnc(C[N@H+](C[C@H](C)O)C2CC2)s1 ZINC000653902338 411217716 /nfs/dbraw/zinc/21/77/16/411217716.db2.gz QJMZTLREIYHVRG-QMMMGPOBSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@@H+](C[C@H](C)O)C2CC2)s1 ZINC000653902338 411217719 /nfs/dbraw/zinc/21/77/19/411217719.db2.gz QJMZTLREIYHVRG-QMMMGPOBSA-N 1 2 241.360 1.446 20 0 BDADLO C[C@H](O)C[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000653902900 411218390 /nfs/dbraw/zinc/21/83/90/411218390.db2.gz ACJOQPQMLGBUEL-LURJTMIESA-N 1 2 247.245 1.352 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000653902900 411218392 /nfs/dbraw/zinc/21/83/92/411218392.db2.gz ACJOQPQMLGBUEL-LURJTMIESA-N 1 2 247.245 1.352 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000656263882 411218538 /nfs/dbraw/zinc/21/85/38/411218538.db2.gz SRYHKCAYSFBMNN-UHFFFAOYSA-N 1 2 249.358 1.422 20 0 BDADLO CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000049023513 411221973 /nfs/dbraw/zinc/22/19/73/411221973.db2.gz OWHRHWBJTSQRAU-UHFFFAOYSA-N 1 2 248.261 1.440 20 0 BDADLO C[C@H](CC[NH+](C)C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000049560479 411240242 /nfs/dbraw/zinc/24/02/42/411240242.db2.gz VFQVNGSKXBKBEF-SECBINFHSA-N 1 2 237.303 1.532 20 0 BDADLO CCn1ccnc1C[NH+]1CC(C(C)(C)O)C1 ZINC000656701666 411327116 /nfs/dbraw/zinc/32/71/16/411327116.db2.gz NYQWHXCFIGGMLQ-UHFFFAOYSA-N 1 2 223.320 1.106 20 0 BDADLO c1c(C[NH2+]Cc2cccnc2)nnn1C1CCC1 ZINC000656456255 411265403 /nfs/dbraw/zinc/26/54/03/411265403.db2.gz WDXGGNWNFGRXJE-UHFFFAOYSA-N 1 2 243.314 1.688 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1cncs1 ZINC000660158562 411270717 /nfs/dbraw/zinc/27/07/17/411270717.db2.gz ZVJWTTNFVLXQAS-MRVPVSSYSA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1cncs1 ZINC000660158562 411270721 /nfs/dbraw/zinc/27/07/21/411270721.db2.gz ZVJWTTNFVLXQAS-MRVPVSSYSA-N 1 2 230.358 1.053 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)C(C)C)[nH]1 ZINC000658162311 411275043 /nfs/dbraw/zinc/27/50/43/411275043.db2.gz SJZFYIZBHNNZIU-MRVPVSSYSA-N 1 2 212.297 1.085 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453350 411275960 /nfs/dbraw/zinc/27/59/60/411275960.db2.gz UMMSNWUVSVMBLU-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453350 411275963 /nfs/dbraw/zinc/27/59/63/411275963.db2.gz UMMSNWUVSVMBLU-FXQIFTODSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000656534159 411290619 /nfs/dbraw/zinc/29/06/19/411290619.db2.gz FDHHHPACXUTRMH-BIIVOSGPSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000656534159 411290621 /nfs/dbraw/zinc/29/06/21/411290621.db2.gz FDHHHPACXUTRMH-BIIVOSGPSA-N 1 2 227.226 1.019 20 0 BDADLO O=C(NCCc1ccoc1)NCCn1cc[nH+]c1 ZINC000656549893 411296712 /nfs/dbraw/zinc/29/67/12/411296712.db2.gz JHQCDPBBQCAHQI-UHFFFAOYSA-N 1 2 248.286 1.018 20 0 BDADLO COc1nccc(C[NH+]2CC3(CC(F)C3)C2)n1 ZINC000656693899 411331272 /nfs/dbraw/zinc/33/12/72/411331272.db2.gz WODCMDFJEHMTOA-UHFFFAOYSA-N 1 2 237.278 1.419 20 0 BDADLO FC(F)C[NH2+]Cc1ccccc1-n1cncn1 ZINC000656611763 411309535 /nfs/dbraw/zinc/30/95/35/411309535.db2.gz KEVLAAOPQJRLDI-UHFFFAOYSA-N 1 2 238.241 1.622 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1coc(C)n1 ZINC000654001381 411309547 /nfs/dbraw/zinc/30/95/47/411309547.db2.gz FJUCQMKEPTYKFC-MRVPVSSYSA-N 1 2 248.286 1.690 20 0 BDADLO FC(F)CNCc1c[nH+]c2ccccn12 ZINC000656611762 411310254 /nfs/dbraw/zinc/31/02/54/411310254.db2.gz JMAUGCBTUCDHPW-UHFFFAOYSA-N 1 2 211.215 1.689 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402791120 411315696 /nfs/dbraw/zinc/31/56/96/411315696.db2.gz GXYMDYGFVFNCIY-GRYCIOLGSA-N 1 2 245.326 1.671 20 0 BDADLO CC[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659838153 411317310 /nfs/dbraw/zinc/31/73/10/411317310.db2.gz METJKMDLFKETNM-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659838153 411317311 /nfs/dbraw/zinc/31/73/11/411317311.db2.gz METJKMDLFKETNM-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000045752942 411248868 /nfs/dbraw/zinc/24/88/68/411248868.db2.gz QYLDMCSETTXAMG-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000045752942 411248870 /nfs/dbraw/zinc/24/88/70/411248870.db2.gz QYLDMCSETTXAMG-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO Fc1ccccc1-n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656431682 411249959 /nfs/dbraw/zinc/24/99/59/411249959.db2.gz HPQRDGDIDDOPRN-NSHDSACASA-N 1 2 248.261 1.067 20 0 BDADLO CCC[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660133984 411251855 /nfs/dbraw/zinc/25/18/55/411251855.db2.gz MNHYWQDTLOLPOT-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO Cc1nc(NCCc2ccccc2)nc(N)[nH+]1 ZINC000117586558 411255495 /nfs/dbraw/zinc/25/54/95/411255495.db2.gz JIUACSLHMARMKI-UHFFFAOYSA-N 1 2 229.287 1.417 20 0 BDADLO Cc1nc(N)nc(NCCc2ccccc2)[nH+]1 ZINC000117586558 411255499 /nfs/dbraw/zinc/25/54/99/411255499.db2.gz JIUACSLHMARMKI-UHFFFAOYSA-N 1 2 229.287 1.417 20 0 BDADLO C[N@H+](CCO)Cc1cn(C2CCCCC2)nn1 ZINC000656439714 411257061 /nfs/dbraw/zinc/25/70/61/411257061.db2.gz UYEHJGUQARXUHE-UHFFFAOYSA-N 1 2 238.335 1.207 20 0 BDADLO C[N@@H+](CCO)Cc1cn(C2CCCCC2)nn1 ZINC000656439714 411257064 /nfs/dbraw/zinc/25/70/64/411257064.db2.gz UYEHJGUQARXUHE-UHFFFAOYSA-N 1 2 238.335 1.207 20 0 BDADLO Cc1nc(CN2CCn3cc[nH+]c3C2)co1 ZINC000659867780 411354189 /nfs/dbraw/zinc/35/41/89/411354189.db2.gz WUILPUOKDSRPQV-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cnccn1 ZINC000656772903 411355570 /nfs/dbraw/zinc/35/55/70/411355570.db2.gz OSKWDFRSALBUJQ-UHFFFAOYSA-N 1 2 217.276 1.866 20 0 BDADLO Cc1nc(NCc2[nH+]ccn2C(C)C)nn1C ZINC000656775036 411357061 /nfs/dbraw/zinc/35/70/61/411357061.db2.gz IZTKNHHCKLKOMD-UHFFFAOYSA-N 1 2 234.307 1.513 20 0 BDADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000332660650 168007591 /nfs/dbraw/zinc/00/75/91/168007591.db2.gz NZEOFPHFWBBHHC-ZCFIWIBFSA-N 1 2 247.245 1.352 20 0 BDADLO CC1(C)[C@H](O)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000332660650 168007593 /nfs/dbraw/zinc/00/75/93/168007593.db2.gz NZEOFPHFWBBHHC-ZCFIWIBFSA-N 1 2 247.245 1.352 20 0 BDADLO Cc1cc[nH+]cc1Cc1nc(N(C)C)no1 ZINC000656751570 411348621 /nfs/dbraw/zinc/34/86/21/411348621.db2.gz RRPXCGRKRKVSKI-UHFFFAOYSA-N 1 2 218.260 1.430 20 0 BDADLO CC1=C(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000333335028 168078219 /nfs/dbraw/zinc/07/82/19/168078219.db2.gz ZGBSCMPAENPVBG-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO Cc1nc(C[N@@H+]2CCC(C)=C(C)C2)no1 ZINC000280802531 168084680 /nfs/dbraw/zinc/08/46/80/168084680.db2.gz SHOUDMRGGZYORT-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO Cc1nc(C[N@H+]2CCC(C)=C(C)C2)no1 ZINC000280802531 168084682 /nfs/dbraw/zinc/08/46/82/168084682.db2.gz SHOUDMRGGZYORT-UHFFFAOYSA-N 1 2 207.277 1.920 20 0 BDADLO CC1=CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000336402476 168096573 /nfs/dbraw/zinc/09/65/73/168096573.db2.gz HNFVLEODICDXCM-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO CC1=CCC[N@@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000280788575 168099951 /nfs/dbraw/zinc/09/99/51/168099951.db2.gz JERIPRPFTXDULQ-SNVBAGLBSA-N 1 2 233.319 1.721 20 0 BDADLO CC1=CCC[N@H+]([C@H](C)c2nnnn2C2CC2)C1 ZINC000280788575 168099953 /nfs/dbraw/zinc/09/99/53/168099953.db2.gz JERIPRPFTXDULQ-SNVBAGLBSA-N 1 2 233.319 1.721 20 0 BDADLO CC1=CCC[N@H+](Cc2nccc(N)n2)C1 ZINC000280916374 168100335 /nfs/dbraw/zinc/10/03/35/168100335.db2.gz STDJTKWWQYCKDW-UHFFFAOYSA-N 1 2 204.277 1.211 20 0 BDADLO CC1=CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000280916374 168100338 /nfs/dbraw/zinc/10/03/38/168100338.db2.gz STDJTKWWQYCKDW-UHFFFAOYSA-N 1 2 204.277 1.211 20 0 BDADLO CC1=CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000284540098 168104413 /nfs/dbraw/zinc/10/44/13/168104413.db2.gz XIGKMWQKGQVVKT-NSCUHMNNSA-N 1 2 217.272 1.602 20 0 BDADLO CC1CC(NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000267721777 168140025 /nfs/dbraw/zinc/14/00/25/168140025.db2.gz QIVJRUJALINUIL-UHFFFAOYSA-N 1 2 243.310 1.792 20 0 BDADLO CC1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC000128902149 168148132 /nfs/dbraw/zinc/14/81/32/168148132.db2.gz YVOZMPSGHYICCT-UHFFFAOYSA-N 1 2 217.276 1.574 20 0 BDADLO FC(F)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000656916354 411387853 /nfs/dbraw/zinc/38/78/53/411387853.db2.gz MDHRRFHIQNYDBZ-BDAKNGLRSA-N 1 2 217.259 1.752 20 0 BDADLO CCC(=O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000274514695 168208850 /nfs/dbraw/zinc/20/88/50/168208850.db2.gz NYKHUZLWFJMBEE-UHFFFAOYSA-N 1 2 231.255 1.043 20 0 BDADLO CCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000657000513 411390440 /nfs/dbraw/zinc/39/04/40/411390440.db2.gz NCRQCQUZTUCRAG-SNVBAGLBSA-N 1 2 221.304 1.740 20 0 BDADLO CCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120464843 168225586 /nfs/dbraw/zinc/22/55/86/168225586.db2.gz NOQLDIVEIAJKQH-NSHDSACASA-N 1 2 220.272 1.471 20 0 BDADLO Cc1c[nH]nc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000654380152 411383189 /nfs/dbraw/zinc/38/31/89/411383189.db2.gz OBXUEELQQJTRRE-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CCN(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000657004563 411391796 /nfs/dbraw/zinc/39/17/96/411391796.db2.gz VHMRAZYKAYPSIR-BDAKNGLRSA-N 1 2 222.292 1.550 20 0 BDADLO FC(F)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000656916354 411387849 /nfs/dbraw/zinc/38/78/49/411387849.db2.gz MDHRRFHIQNYDBZ-BDAKNGLRSA-N 1 2 217.259 1.752 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)CO1 ZINC000657309435 411459702 /nfs/dbraw/zinc/45/97/02/411459702.db2.gz NHSUZNZVHFVHHJ-WDEREUQCSA-N 1 2 209.293 1.375 20 0 BDADLO C[N@H+](CC(=O)Nc1cnccn1)Cc1ccco1 ZINC000659816106 411461124 /nfs/dbraw/zinc/46/11/24/411461124.db2.gz ONLATWUADYZATA-UHFFFAOYSA-N 1 2 246.270 1.140 20 0 BDADLO C[N@@H+](CC(=O)Nc1cnccn1)Cc1ccco1 ZINC000659816106 411461126 /nfs/dbraw/zinc/46/11/26/411461126.db2.gz ONLATWUADYZATA-UHFFFAOYSA-N 1 2 246.270 1.140 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000408463617 411402526 /nfs/dbraw/zinc/40/25/26/411402526.db2.gz DGMUUMSKZSVVKY-SECBINFHSA-N 1 2 236.319 1.287 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOCC3(CC3)C2)[nH]1 ZINC000408463617 411402528 /nfs/dbraw/zinc/40/25/28/411402528.db2.gz DGMUUMSKZSVVKY-SECBINFHSA-N 1 2 236.319 1.287 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)nn1 ZINC000414371607 411410730 /nfs/dbraw/zinc/41/07/30/411410730.db2.gz NFGCYFCMHXZFNS-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)nn1 ZINC000414371607 411410734 /nfs/dbraw/zinc/41/07/34/411410734.db2.gz NFGCYFCMHXZFNS-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1occc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654580533 411414162 /nfs/dbraw/zinc/41/41/62/411414162.db2.gz XWEGIRYUGYMGTO-VIFPVBQESA-N 1 2 247.298 1.806 20 0 BDADLO Cc1occc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654580533 411414166 /nfs/dbraw/zinc/41/41/66/411414166.db2.gz XWEGIRYUGYMGTO-VIFPVBQESA-N 1 2 247.298 1.806 20 0 BDADLO C[C@H](CC(C)(C)C)NC(=O)Cc1c[nH+]cn1C ZINC000654648709 411422959 /nfs/dbraw/zinc/42/29/59/411422959.db2.gz JKHSQPFVHFGHSP-SNVBAGLBSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CC[C@H](C3CC3)C2)n1 ZINC000653594373 411430023 /nfs/dbraw/zinc/43/00/23/411430023.db2.gz PDCVDRQHSZZLJA-NSHDSACASA-N 1 2 249.362 1.660 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CC[C@H](C3CC3)C2)n1 ZINC000653594373 411430027 /nfs/dbraw/zinc/43/00/27/411430027.db2.gz PDCVDRQHSZZLJA-NSHDSACASA-N 1 2 249.362 1.660 20 0 BDADLO CNC(=O)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000653594446 411430549 /nfs/dbraw/zinc/43/05/49/411430549.db2.gz SWCREEANVUZDNU-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO CNC(=O)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000653594446 411430551 /nfs/dbraw/zinc/43/05/51/411430551.db2.gz SWCREEANVUZDNU-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO c1csc(CNCc2c[nH+]c3n2CCC3)n1 ZINC000657317767 411463042 /nfs/dbraw/zinc/46/30/42/411463042.db2.gz FYQVMYQJHFDUCW-UHFFFAOYSA-N 1 2 234.328 1.576 20 0 BDADLO OCc1cc[nH+]c(N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000126424114 411437156 /nfs/dbraw/zinc/43/71/56/411437156.db2.gz LXSQMDOMTWSLLG-VXGBXAGGSA-N 1 2 218.300 1.810 20 0 BDADLO COc1c(C)c[nH+]c(Cn2nc(C)oc2=O)c1C ZINC000657279678 411440038 /nfs/dbraw/zinc/44/00/38/411440038.db2.gz XRDVGSREVXXQCK-UHFFFAOYSA-N 1 2 249.270 1.213 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCn3ccnc32)ncn1 ZINC000655738598 411444718 /nfs/dbraw/zinc/44/47/18/411444718.db2.gz YKKVPYOTPRQEGI-GFCCVEGCSA-N 1 2 243.314 1.606 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1ccco1 ZINC000607643574 411448643 /nfs/dbraw/zinc/44/86/43/411448643.db2.gz UYVXNFZVYDWNKH-SECBINFHSA-N 1 2 233.271 1.433 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=CCC1 ZINC000654988020 411470955 /nfs/dbraw/zinc/47/09/55/411470955.db2.gz VNRDYRWYPLAGQQ-JTQLQIEISA-N 1 2 219.288 1.377 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=CCC1 ZINC000654988020 411470959 /nfs/dbraw/zinc/47/09/59/411470959.db2.gz VNRDYRWYPLAGQQ-JTQLQIEISA-N 1 2 219.288 1.377 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657334934 411472118 /nfs/dbraw/zinc/47/21/18/411472118.db2.gz IIYVWPTXTMEUKM-SCZZXKLOSA-N 1 2 238.335 1.111 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1coc(C)n1 ZINC000659842045 411473442 /nfs/dbraw/zinc/47/34/42/411473442.db2.gz WQRBSWIJQPTDFE-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1coc(C)n1 ZINC000659842045 411473444 /nfs/dbraw/zinc/47/34/44/411473444.db2.gz WQRBSWIJQPTDFE-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccncc1C ZINC000294624345 411474199 /nfs/dbraw/zinc/47/41/99/411474199.db2.gz YZXNJFJGWVOZPI-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccncc1C ZINC000294624345 411474202 /nfs/dbraw/zinc/47/42/02/411474202.db2.gz YZXNJFJGWVOZPI-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC000657491544 411532950 /nfs/dbraw/zinc/53/29/50/411532950.db2.gz WKFKFXGENLALFN-UHFFFAOYSA-N 1 2 245.330 1.336 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnn2CC2CC2)on1 ZINC000657348332 411475216 /nfs/dbraw/zinc/47/52/16/411475216.db2.gz RWXPWOJEZRIXQD-UHFFFAOYSA-N 1 2 246.314 1.879 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCO2)c(C)o1 ZINC000659845695 411475331 /nfs/dbraw/zinc/47/53/31/411475331.db2.gz LFWFJYGXTAJXIC-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCO2)c(C)o1 ZINC000659845695 411475332 /nfs/dbraw/zinc/47/53/32/411475332.db2.gz LFWFJYGXTAJXIC-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1cscn1 ZINC000659857661 411480482 /nfs/dbraw/zinc/48/04/82/411480482.db2.gz MNAUIGOQCLYLEA-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1cscn1 ZINC000659857661 411480484 /nfs/dbraw/zinc/48/04/84/411480484.db2.gz MNAUIGOQCLYLEA-SECBINFHSA-N 1 2 248.298 1.999 20 0 BDADLO CCc1cc(C[NH2+]Cc2cc3n(n2)CCC3)on1 ZINC000657372474 411484456 /nfs/dbraw/zinc/48/44/56/411484456.db2.gz FPQYESRWYVDOSK-UHFFFAOYSA-N 1 2 246.314 1.670 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@@H](C)C2)co1 ZINC000659875739 411486995 /nfs/dbraw/zinc/48/69/95/411486995.db2.gz YIVGSHOVWDHWAC-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@@H](C)C2)co1 ZINC000659875739 411486997 /nfs/dbraw/zinc/48/69/97/411486997.db2.gz YIVGSHOVWDHWAC-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO CO[C@@H](C[N@H+](C)CC(F)F)C1CCC1 ZINC000659880091 411488212 /nfs/dbraw/zinc/48/82/12/411488212.db2.gz XZJAHUKLGZLKFZ-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@@H](C[N@@H+](C)CC(F)F)C1CCC1 ZINC000659880091 411488214 /nfs/dbraw/zinc/48/82/14/411488214.db2.gz XZJAHUKLGZLKFZ-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO Fc1cccnc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657414497 411498551 /nfs/dbraw/zinc/49/85/51/411498551.db2.gz QASNWJYOUOLWEO-UHFFFAOYSA-N 1 2 246.289 1.653 20 0 BDADLO CCOC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000659926687 411500690 /nfs/dbraw/zinc/50/06/90/411500690.db2.gz BSYMINIHIBJELE-NSHDSACASA-N 1 2 238.335 1.096 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000659926687 411500692 /nfs/dbraw/zinc/50/06/92/411500692.db2.gz BSYMINIHIBJELE-NSHDSACASA-N 1 2 238.335 1.096 20 0 BDADLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000655134782 411501560 /nfs/dbraw/zinc/50/15/60/411501560.db2.gz NRZIPGDMIISNCL-BDAKNGLRSA-N 1 2 245.286 1.350 20 0 BDADLO Cc1cccc(CN(C)Cc2cn(C)c[nH+]2)n1 ZINC000660080045 411534239 /nfs/dbraw/zinc/53/42/39/411534239.db2.gz FWERMHMXTUKJEF-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC000383386978 411506493 /nfs/dbraw/zinc/50/64/93/411506493.db2.gz IOQTYLHCISDPQT-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC000383386978 411506494 /nfs/dbraw/zinc/50/64/94/411506494.db2.gz IOQTYLHCISDPQT-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO c1c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)onc1C1CC1 ZINC000659968838 411513083 /nfs/dbraw/zinc/51/30/83/411513083.db2.gz BFCBTUZJXJNMET-PHIMTYICSA-N 1 2 234.299 1.915 20 0 BDADLO c1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)onc1C1CC1 ZINC000659968838 411513085 /nfs/dbraw/zinc/51/30/85/411513085.db2.gz BFCBTUZJXJNMET-PHIMTYICSA-N 1 2 234.299 1.915 20 0 BDADLO C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1CC1 ZINC000655799470 411516832 /nfs/dbraw/zinc/51/68/32/411516832.db2.gz GKDTXIHIQGXTFG-WPRPVWTQSA-N 1 2 236.319 1.544 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000657457109 411520957 /nfs/dbraw/zinc/52/09/57/411520957.db2.gz FHAJCOLRPFPNGJ-ZJUUUORDSA-N 1 2 237.303 1.604 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn2c1CCC2)C(F)F ZINC000657476825 411524901 /nfs/dbraw/zinc/52/49/01/411524901.db2.gz NJKRDEFMXZXZPC-VIFPVBQESA-N 1 2 229.274 1.963 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000660009555 411527204 /nfs/dbraw/zinc/52/72/04/411527204.db2.gz WERUXKJEYCGVSI-VHSXEESVSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000660009555 411527207 /nfs/dbraw/zinc/52/72/07/411527207.db2.gz WERUXKJEYCGVSI-VHSXEESVSA-N 1 2 224.304 1.846 20 0 BDADLO C[C@@H]1OCC[N@H+](CCO[C@@H]2CC2(F)F)[C@H]1C ZINC000660010732 411528064 /nfs/dbraw/zinc/52/80/64/411528064.db2.gz LLUCAZUKZUNWLJ-LPEHRKFASA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1OCC[N@@H+](CCO[C@@H]2CC2(F)F)[C@H]1C ZINC000660010732 411528066 /nfs/dbraw/zinc/52/80/66/411528066.db2.gz LLUCAZUKZUNWLJ-LPEHRKFASA-N 1 2 235.274 1.520 20 0 BDADLO C([NH2+]CC1CC1)c1nnc([C@H]2CCCO2)[nH]1 ZINC000655817968 411528435 /nfs/dbraw/zinc/52/84/35/411528435.db2.gz BTKCGAGVZCNXGK-SECBINFHSA-N 1 2 222.292 1.156 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)[nH]n1 ZINC000655862551 411540304 /nfs/dbraw/zinc/54/03/04/411540304.db2.gz AXPJSDIAGUSAOQ-LBPRGKRZSA-N 1 2 235.331 1.991 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000309913270 170035840 /nfs/dbraw/zinc/03/58/40/170035840.db2.gz OAKNLRKKWZWOKG-ONGXEEELSA-N 1 2 232.318 1.962 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1occc1C ZINC000119331774 170057229 /nfs/dbraw/zinc/05/72/29/170057229.db2.gz MWTFEOBYQOGZGB-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1occc1C ZINC000119331774 170057231 /nfs/dbraw/zinc/05/72/31/170057231.db2.gz MWTFEOBYQOGZGB-UHFFFAOYSA-N 1 2 224.304 1.546 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000071822858 170057708 /nfs/dbraw/zinc/05/77/08/170057708.db2.gz NFPLOCTWNYVFGW-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000071822858 170057710 /nfs/dbraw/zinc/05/77/10/170057710.db2.gz NFPLOCTWNYVFGW-UHFFFAOYSA-N 1 2 221.304 1.040 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cnccc1C ZINC000269482420 170057785 /nfs/dbraw/zinc/05/77/85/170057785.db2.gz BEHAPPQMCLSTBC-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cnccc1C ZINC000269482420 170057786 /nfs/dbraw/zinc/05/77/86/170057786.db2.gz BEHAPPQMCLSTBC-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270210826 170058950 /nfs/dbraw/zinc/05/89/50/170058950.db2.gz DPBYVSJHQBJHKE-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO CCNC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270210826 170058951 /nfs/dbraw/zinc/05/89/51/170058951.db2.gz DPBYVSJHQBJHKE-UHFFFAOYSA-N 1 2 236.237 1.317 20 0 BDADLO CCNC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292129504 170061032 /nfs/dbraw/zinc/06/10/32/170061032.db2.gz BDUXSEAGSSXUAW-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292129504 170061033 /nfs/dbraw/zinc/06/10/33/170061033.db2.gz BDUXSEAGSSXUAW-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO Cc1nnc([C@H](C)N(C)Cc2[nH]cc[nH+]2)s1 ZINC000660142635 411543303 /nfs/dbraw/zinc/54/33/03/411543303.db2.gz ILCRPZUJANEVHZ-ZETCQYMHSA-N 1 2 237.332 1.763 20 0 BDADLO Cn1ccnc1C[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000660138287 411543775 /nfs/dbraw/zinc/54/37/75/411543775.db2.gz SXNUZRKEULQITD-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO Cn1ccnc1C[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000660138287 411543777 /nfs/dbraw/zinc/54/37/77/411543777.db2.gz SXNUZRKEULQITD-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H](c1csnn1)N(C)Cc1[nH]cc[nH+]1 ZINC000660140938 411544072 /nfs/dbraw/zinc/54/40/72/411544072.db2.gz CGZNDAREJMSAHA-ZETCQYMHSA-N 1 2 223.305 1.454 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCO[C@H](C)C2)no1 ZINC000660216827 411554637 /nfs/dbraw/zinc/55/46/37/411554637.db2.gz JIDIIEIEQQMENT-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCO[C@H](C)C2)no1 ZINC000660216827 411554639 /nfs/dbraw/zinc/55/46/39/411554639.db2.gz JIDIIEIEQQMENT-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cn(C)cn2)C[C@@H]1F ZINC000660219374 411555548 /nfs/dbraw/zinc/55/55/48/411555548.db2.gz CGIUQJNRUAHKLF-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cn(C)cn2)C[C@@H]1F ZINC000660219374 411555549 /nfs/dbraw/zinc/55/55/49/411555549.db2.gz CGIUQJNRUAHKLF-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CCN(Cc2cn(C)c[nH+]2)C[C@@H]1F ZINC000660219374 411555550 /nfs/dbraw/zinc/55/55/50/411555550.db2.gz CGIUQJNRUAHKLF-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000660142231 411544894 /nfs/dbraw/zinc/54/48/94/411544894.db2.gz RRYKCZGSIXACCQ-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)co1 ZINC000660147390 411546147 /nfs/dbraw/zinc/54/61/47/411546147.db2.gz FQRNEMBQOWBUNE-LBPRGKRZSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)co1 ZINC000660147390 411546148 /nfs/dbraw/zinc/54/61/48/411546148.db2.gz FQRNEMBQOWBUNE-LBPRGKRZSA-N 1 2 249.314 1.180 20 0 BDADLO CCOC(=O)CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000050087142 170204627 /nfs/dbraw/zinc/20/46/27/170204627.db2.gz LBMKHMNBWIZMFQ-UHFFFAOYSA-N 1 2 247.298 1.952 20 0 BDADLO CCOC(=O)C[N@H+](CCO)Cc1ccccc1 ZINC000049752535 170216790 /nfs/dbraw/zinc/21/67/90/170216790.db2.gz YOVFSXHYNXTVOB-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO CCOC(=O)C[N@@H+](CCO)Cc1ccccc1 ZINC000049752535 170216792 /nfs/dbraw/zinc/21/67/92/170216792.db2.gz YOVFSXHYNXTVOB-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364100050 170219293 /nfs/dbraw/zinc/21/92/93/170219293.db2.gz VIVIQRZOKFWOIA-UHFFFAOYSA-N 1 2 237.303 1.152 20 0 BDADLO CCOC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000309643941 170226897 /nfs/dbraw/zinc/22/68/97/170226897.db2.gz LOBYTFRUMWWNSB-VXGBXAGGSA-N 1 2 227.304 1.097 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000337527405 170227162 /nfs/dbraw/zinc/22/71/62/170227162.db2.gz CCRZNSJXLYZUPT-JGVFFNPUSA-N 1 2 237.246 1.299 20 0 BDADLO CCOC(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000179516952 170239632 /nfs/dbraw/zinc/23/96/32/170239632.db2.gz CBBYEYFHARTNNO-UHFFFAOYSA-N 1 2 237.303 1.289 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC000176975643 170246539 /nfs/dbraw/zinc/24/65/39/170246539.db2.gz BDKWIYUTXPYQGA-QMMMGPOBSA-N 1 2 223.276 1.396 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](C)CCn1cccn1 ZINC000072631046 170249865 /nfs/dbraw/zinc/24/98/65/170249865.db2.gz ILLRJBRUGORBIF-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](C)CCn1cccn1 ZINC000072631046 170249866 /nfs/dbraw/zinc/24/98/66/170249866.db2.gz ILLRJBRUGORBIF-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)COC ZINC000309969127 170249966 /nfs/dbraw/zinc/24/99/66/170249966.db2.gz OQQROAZGPWNCGF-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050814849 170257738 /nfs/dbraw/zinc/25/77/38/170257738.db2.gz NEZQMBSOWMIKIK-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N)nc1 ZINC000050814849 170257740 /nfs/dbraw/zinc/25/77/40/170257740.db2.gz NEZQMBSOWMIKIK-NSHDSACASA-N 1 2 249.314 1.191 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000362259965 170258181 /nfs/dbraw/zinc/25/81/81/170258181.db2.gz XIAGJEZBWJWUPQ-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)cn1 ZINC000362259965 170258182 /nfs/dbraw/zinc/25/81/82/170258182.db2.gz XIAGJEZBWJWUPQ-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301687633 170259029 /nfs/dbraw/zinc/25/90/29/170259029.db2.gz VFDGWLNNRJNVCI-MNOVXSKESA-N 1 2 249.314 1.929 20 0 BDADLO Cc1c(Cl)c(C[NH2+]C/C=C/CO)nn1C ZINC000657595056 411560567 /nfs/dbraw/zinc/56/05/67/411560567.db2.gz WLUIAWIKXOBPRK-ONEGZZNKSA-N 1 2 229.711 1.020 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)[C@H]2C[C@H]2C)[nH]1 ZINC000657608967 411562345 /nfs/dbraw/zinc/56/23/45/411562345.db2.gz GUNJJRQWPGJVDQ-HLTSFMKQSA-N 1 2 224.308 1.085 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000362259964 170280885 /nfs/dbraw/zinc/28/08/85/170280885.db2.gz XIAGJEZBWJWUPQ-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)cn1 ZINC000362259964 170280886 /nfs/dbraw/zinc/28/08/86/170280886.db2.gz XIAGJEZBWJWUPQ-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1nc(C[N@@H+](C)C2CC(O)C2)c(C)o1 ZINC000660278069 411564817 /nfs/dbraw/zinc/56/48/17/411564817.db2.gz KFRPARYFFMQIJJ-UHFFFAOYSA-N 1 2 210.277 1.247 20 0 BDADLO Cc1nc(C[N@H+](C)C2CC(O)C2)c(C)o1 ZINC000660278069 411564818 /nfs/dbraw/zinc/56/48/18/411564818.db2.gz KFRPARYFFMQIJJ-UHFFFAOYSA-N 1 2 210.277 1.247 20 0 BDADLO CO[C@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)C1CCC1 ZINC000660369505 411573491 /nfs/dbraw/zinc/57/34/91/411573491.db2.gz XCNTVRWRZUUYSD-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)C1CCC1 ZINC000660369505 411573492 /nfs/dbraw/zinc/57/34/92/411573492.db2.gz XCNTVRWRZUUYSD-GHMZBOCLSA-N 1 2 249.301 1.503 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@]1(C)CC1(F)F ZINC000657668296 411573956 /nfs/dbraw/zinc/57/39/56/411573956.db2.gz DXYSYAANDUQJOZ-VIFPVBQESA-N 1 2 215.247 1.853 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CC2(CO)CC2)[nH]1 ZINC000660373454 411574471 /nfs/dbraw/zinc/57/44/71/411574471.db2.gz AJBROLYPOJGUEM-SECBINFHSA-N 1 2 238.335 1.132 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CC2(CO)CC2)[nH]1 ZINC000660373454 411574472 /nfs/dbraw/zinc/57/44/72/411574472.db2.gz AJBROLYPOJGUEM-SECBINFHSA-N 1 2 238.335 1.132 20 0 BDADLO Cn1c[nH+]c(CN2CCc3ncsc3C2)c1 ZINC000660373567 411574546 /nfs/dbraw/zinc/57/45/46/411574546.db2.gz CGBDZSGARJIVID-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1noc(CC)n1 ZINC000339383465 170356251 /nfs/dbraw/zinc/35/62/51/170356251.db2.gz RZTKJESWYLZXON-UHFFFAOYSA-N 1 2 227.308 1.537 20 0 BDADLO CCOCC[N@H+](C)Cc1cc(COC)on1 ZINC000291511513 170389461 /nfs/dbraw/zinc/38/94/61/170389461.db2.gz XLIIVTMATYSNBV-UHFFFAOYSA-N 1 2 228.292 1.289 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc(COC)on1 ZINC000291511513 170389462 /nfs/dbraw/zinc/38/94/62/170389462.db2.gz XLIIVTMATYSNBV-UHFFFAOYSA-N 1 2 228.292 1.289 20 0 BDADLO CCOCC[N@H+](C)Cc1ccn(C(F)F)n1 ZINC000354780313 170390305 /nfs/dbraw/zinc/39/03/05/170390305.db2.gz GOQXCCGCJSSGIL-UHFFFAOYSA-N 1 2 233.262 1.747 20 0 BDADLO CCOCC[N@@H+](C)Cc1ccn(C(F)F)n1 ZINC000354780313 170390307 /nfs/dbraw/zinc/39/03/07/170390307.db2.gz GOQXCCGCJSSGIL-UHFFFAOYSA-N 1 2 233.262 1.747 20 0 BDADLO CCOCCN(CC)c1nc[nH+]c(N)c1Cl ZINC000233718995 170396957 /nfs/dbraw/zinc/39/69/57/170396957.db2.gz HETKNOTZZRRHOH-UHFFFAOYSA-N 1 2 244.726 1.575 20 0 BDADLO CCOCCN(CC)c1[nH+]cnc(N)c1Cl ZINC000233718995 170396959 /nfs/dbraw/zinc/39/69/59/170396959.db2.gz HETKNOTZZRRHOH-UHFFFAOYSA-N 1 2 244.726 1.575 20 0 BDADLO CCOCCN(CC)c1[nH+]cnc2c1cnn2C ZINC000171631844 170397152 /nfs/dbraw/zinc/39/71/52/170397152.db2.gz LXTCOJOQDVNTGM-UHFFFAOYSA-N 1 2 249.318 1.226 20 0 BDADLO CCOCC[N@@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000366702786 170398300 /nfs/dbraw/zinc/39/83/00/170398300.db2.gz OSPGTIHSKNGEEO-LLVKDONJSA-N 1 2 238.335 1.677 20 0 BDADLO CCOCC[N@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000366702786 170398302 /nfs/dbraw/zinc/39/83/02/170398302.db2.gz OSPGTIHSKNGEEO-LLVKDONJSA-N 1 2 238.335 1.677 20 0 BDADLO CCOCC[N@@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000366702788 170398804 /nfs/dbraw/zinc/39/88/04/170398804.db2.gz OSPGTIHSKNGEEO-NSHDSACASA-N 1 2 238.335 1.677 20 0 BDADLO CCOCC[N@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000366702788 170398805 /nfs/dbraw/zinc/39/88/05/170398805.db2.gz OSPGTIHSKNGEEO-NSHDSACASA-N 1 2 238.335 1.677 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)n[nH]1 ZINC000621622747 411626749 /nfs/dbraw/zinc/62/67/49/411626749.db2.gz LSQCTEAAULFPHD-MRVPVSSYSA-N 1 2 245.286 1.185 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)n[nH]1 ZINC000621622747 411626752 /nfs/dbraw/zinc/62/67/52/411626752.db2.gz LSQCTEAAULFPHD-MRVPVSSYSA-N 1 2 245.286 1.185 20 0 BDADLO CCn1nccc1C[NH2+]Cc1[nH]ncc1C ZINC000663349440 411633273 /nfs/dbraw/zinc/63/32/73/411633273.db2.gz VYNJAWMALHSJPS-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO CCOc1cc(N2CCC(=O)CC2)nc(C)[nH+]1 ZINC000663381193 411641932 /nfs/dbraw/zinc/64/19/32/411641932.db2.gz JTYDYWVWEWYTBA-UHFFFAOYSA-N 1 2 235.287 1.353 20 0 BDADLO CC[N@@H+]1CCN([C@H](C)c2n[nH]c(C)n2)C[C@@H]1C ZINC000663383436 411643347 /nfs/dbraw/zinc/64/33/47/411643347.db2.gz GCHCWFZXENRSHJ-VHSXEESVSA-N 1 2 237.351 1.200 20 0 BDADLO CC[N@H+]1CCN([C@H](C)c2n[nH]c(C)n2)C[C@@H]1C ZINC000663383436 411643351 /nfs/dbraw/zinc/64/33/51/411643351.db2.gz GCHCWFZXENRSHJ-VHSXEESVSA-N 1 2 237.351 1.200 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2C[C@H](O)CC(F)(F)C2)CCO1 ZINC000660391342 411578236 /nfs/dbraw/zinc/57/82/36/411578236.db2.gz HCDXZIGNKMHSAY-OPRDCNLKSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2C[C@H](O)CC(F)(F)C2)CCO1 ZINC000660391342 411578237 /nfs/dbraw/zinc/57/82/37/411578237.db2.gz HCDXZIGNKMHSAY-OPRDCNLKSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000660390103 411578377 /nfs/dbraw/zinc/57/83/77/411578377.db2.gz CUMBNAQHTUNPCE-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660390103 411578378 /nfs/dbraw/zinc/57/83/78/411578378.db2.gz CUMBNAQHTUNPCE-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](CCc1cnn[nH]1)C2 ZINC000660395495 411578901 /nfs/dbraw/zinc/57/89/01/411578901.db2.gz FFANOPCIYOZDEJ-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](CCc1cnn[nH]1)C2 ZINC000660395495 411578902 /nfs/dbraw/zinc/57/89/02/411578902.db2.gz FFANOPCIYOZDEJ-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO C[C@@H]1CCSCC[N@@H+]1CCc1cnn[nH]1 ZINC000660404133 411579792 /nfs/dbraw/zinc/57/97/92/411579792.db2.gz XZTMJTSXFJKFSH-SECBINFHSA-N 1 2 226.349 1.175 20 0 BDADLO C[C@@H]1CCSCC[N@H+]1CCc1cnn[nH]1 ZINC000660404133 411579793 /nfs/dbraw/zinc/57/97/93/411579793.db2.gz XZTMJTSXFJKFSH-SECBINFHSA-N 1 2 226.349 1.175 20 0 BDADLO COc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)on1 ZINC000660408232 411581021 /nfs/dbraw/zinc/58/10/21/411581021.db2.gz ZHJURSGXSSMDRT-VIFPVBQESA-N 1 2 240.303 1.683 20 0 BDADLO COc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)on1 ZINC000660408232 411581022 /nfs/dbraw/zinc/58/10/22/411581022.db2.gz ZHJURSGXSSMDRT-VIFPVBQESA-N 1 2 240.303 1.683 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657703055 411582948 /nfs/dbraw/zinc/58/29/48/411582948.db2.gz LCWXLWGBKMYACH-MNOVXSKESA-N 1 2 221.304 1.111 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(C)o1 ZINC000660468370 411589798 /nfs/dbraw/zinc/58/97/98/411589798.db2.gz RSYXHTKUCWRZCA-ZYHUDNBSSA-N 1 2 249.314 1.002 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(C)o1 ZINC000660468370 411589799 /nfs/dbraw/zinc/58/97/99/411589799.db2.gz RSYXHTKUCWRZCA-ZYHUDNBSSA-N 1 2 249.314 1.002 20 0 BDADLO COc1nccc(C[NH2+][C@@H](C)c2nccn2C)n1 ZINC000657793611 411598534 /nfs/dbraw/zinc/59/85/34/411598534.db2.gz MOCSENPVWIZLDN-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CCCn1nccc1C[NH2+][C@@H](C)c1nccn1C ZINC000657793595 411598692 /nfs/dbraw/zinc/59/86/92/411598692.db2.gz MFIMAWUPAYMINB-NSHDSACASA-N 1 2 247.346 1.877 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](C)c1nccn1C ZINC000657792757 411598849 /nfs/dbraw/zinc/59/88/49/411598849.db2.gz CXKGOSZVAFWSHK-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO C=Cn1cc(C[NH2+][C@H](C)c2nccn2C)cn1 ZINC000657793770 411599088 /nfs/dbraw/zinc/59/90/88/411599088.db2.gz KZEFZXLDYWIWCX-SNVBAGLBSA-N 1 2 231.303 1.568 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCn2cncc2C1 ZINC000660577621 411603421 /nfs/dbraw/zinc/60/34/21/411603421.db2.gz IMRQAXFFZSCBGU-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cnccc1C[N@H+]1CCn2cncc2C1 ZINC000660577621 411603423 /nfs/dbraw/zinc/60/34/23/411603423.db2.gz IMRQAXFFZSCBGU-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO FC1(F)C[C@@H]1OCCN1CCn2c[nH+]cc2C1 ZINC000660585286 411603600 /nfs/dbraw/zinc/60/36/00/411603600.db2.gz YAMWRDIEILJTSU-JTQLQIEISA-N 1 2 243.257 1.123 20 0 BDADLO Nc1cccc(C[N@@H+]2CCn3cncc3C2)c1 ZINC000660584703 411604091 /nfs/dbraw/zinc/60/40/91/411604091.db2.gz UVWTVDHBXIXLEZ-UHFFFAOYSA-N 1 2 228.299 1.481 20 0 BDADLO Nc1cccc(C[N@H+]2CCn3cncc3C2)c1 ZINC000660584703 411604092 /nfs/dbraw/zinc/60/40/92/411604092.db2.gz UVWTVDHBXIXLEZ-UHFFFAOYSA-N 1 2 228.299 1.481 20 0 BDADLO Nc1cccc(CN2CCn3c[nH+]cc3C2)c1 ZINC000660584703 411604094 /nfs/dbraw/zinc/60/40/94/411604094.db2.gz UVWTVDHBXIXLEZ-UHFFFAOYSA-N 1 2 228.299 1.481 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCn3nccc32)no1 ZINC000657851746 411612304 /nfs/dbraw/zinc/61/23/04/411612304.db2.gz QWCUVDOBBNFBHR-NSHDSACASA-N 1 2 232.287 1.804 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C)s1 ZINC000660647575 411612410 /nfs/dbraw/zinc/61/24/10/411612410.db2.gz FYYARPFLMNVWLQ-QMMMGPOBSA-N 1 2 215.322 1.049 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C)s1 ZINC000660647575 411612411 /nfs/dbraw/zinc/61/24/11/411612411.db2.gz FYYARPFLMNVWLQ-QMMMGPOBSA-N 1 2 215.322 1.049 20 0 BDADLO CC[C@H](NC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000660705777 411618330 /nfs/dbraw/zinc/61/83/30/411618330.db2.gz OUXPNQIZQYHRKD-JTQLQIEISA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H]1C[N@H+](CCO)CCN1CCCC1CCC1 ZINC000660759416 411622290 /nfs/dbraw/zinc/62/22/90/411622290.db2.gz GXVXQFAFGGYVNA-CYBMUJFWSA-N 1 2 240.391 1.565 20 0 BDADLO C[C@@H]1C[N@@H+](CCO)CCN1CCCC1CCC1 ZINC000660759416 411622292 /nfs/dbraw/zinc/62/22/92/411622292.db2.gz GXVXQFAFGGYVNA-CYBMUJFWSA-N 1 2 240.391 1.565 20 0 BDADLO CN(Cc1cn(C(C)(C)C)nn1)Cc1c[nH+]c[nH]1 ZINC000661094422 411706088 /nfs/dbraw/zinc/70/60/88/411706088.db2.gz VZJKLZUZAGVNDC-UHFFFAOYSA-N 1 2 248.334 1.388 20 0 BDADLO CN(Cc1cn(C(C)(C)C)nn1)Cc1c[nH]c[nH+]1 ZINC000661094422 411706093 /nfs/dbraw/zinc/70/60/93/411706093.db2.gz VZJKLZUZAGVNDC-UHFFFAOYSA-N 1 2 248.334 1.388 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)[C@H]1OC ZINC000275047046 170491880 /nfs/dbraw/zinc/49/18/80/170491880.db2.gz ZYIPEPIEYDIMHB-HOSYDEDBSA-N 1 2 237.303 1.389 20 0 BDADLO Cc1cc(NCc2cc3n(n2)CCCO3)nc[nH+]1 ZINC000624362056 411652126 /nfs/dbraw/zinc/65/21/26/411652126.db2.gz FVJWKEVWLUNMIS-UHFFFAOYSA-N 1 2 245.286 1.376 20 0 BDADLO COCC1(C[N@H+](C)Cc2n[nH]c(=O)o2)CCC1 ZINC000660842830 411654786 /nfs/dbraw/zinc/65/47/86/411654786.db2.gz RSTSVBYMROWMED-UHFFFAOYSA-N 1 2 241.291 1.024 20 0 BDADLO COCC1(C[N@@H+](C)Cc2n[nH]c(=O)o2)CCC1 ZINC000660842830 411654790 /nfs/dbraw/zinc/65/47/90/411654790.db2.gz RSTSVBYMROWMED-UHFFFAOYSA-N 1 2 241.291 1.024 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1cccc(F)c1 ZINC000660852114 411659821 /nfs/dbraw/zinc/65/98/21/411659821.db2.gz NEAYTLILBYUDPJ-UHFFFAOYSA-N 1 2 237.234 1.546 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1cccc(F)c1 ZINC000660852114 411659825 /nfs/dbraw/zinc/65/98/25/411659825.db2.gz NEAYTLILBYUDPJ-UHFFFAOYSA-N 1 2 237.234 1.546 20 0 BDADLO CCn1nccc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000663469631 411666516 /nfs/dbraw/zinc/66/65/16/411666516.db2.gz LAVXDNYMZRDWIX-PWSUYJOCSA-N 1 2 245.330 1.895 20 0 BDADLO CO[C@H]1C[C@@H](CNc2nc[nH+]c(N)c2Cl)C1 ZINC000624756432 411678090 /nfs/dbraw/zinc/67/80/90/411678090.db2.gz IFGVPVINHVRVIE-LJGSYFOKSA-N 1 2 242.710 1.549 20 0 BDADLO CO[C@H]1C[C@@H](CNc2[nH+]cnc(N)c2Cl)C1 ZINC000624756432 411678093 /nfs/dbraw/zinc/67/80/93/411678093.db2.gz IFGVPVINHVRVIE-LJGSYFOKSA-N 1 2 242.710 1.549 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nnsc1Cl ZINC000661084548 411695913 /nfs/dbraw/zinc/69/59/13/411695913.db2.gz OYPFXFZLXLCVHO-UHFFFAOYSA-N 1 2 243.723 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nnsc1Cl ZINC000661084548 411695918 /nfs/dbraw/zinc/69/59/18/411695918.db2.gz OYPFXFZLXLCVHO-UHFFFAOYSA-N 1 2 243.723 1.547 20 0 BDADLO Cc1cnc([C@H](C)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000661087916 411699553 /nfs/dbraw/zinc/69/95/53/411699553.db2.gz CZNBWRHXSYVLAR-VIFPVBQESA-N 1 2 220.276 1.899 20 0 BDADLO Cc1cnc([C@H](C)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000661087916 411699557 /nfs/dbraw/zinc/69/95/57/411699557.db2.gz CZNBWRHXSYVLAR-VIFPVBQESA-N 1 2 220.276 1.899 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1noc2c1CCCC2 ZINC000661087051 411699697 /nfs/dbraw/zinc/69/96/97/411699697.db2.gz NDJYSXZIZZFRHF-UHFFFAOYSA-N 1 2 246.314 1.909 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1noc2c1CCCC2 ZINC000661087051 411699698 /nfs/dbraw/zinc/69/96/98/411699698.db2.gz NDJYSXZIZZFRHF-UHFFFAOYSA-N 1 2 246.314 1.909 20 0 BDADLO C[C@H](CF)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661185270 411730406 /nfs/dbraw/zinc/73/04/06/411730406.db2.gz CWYCBGXLYNAQEA-HTQZYQBOSA-N 1 2 228.271 1.138 20 0 BDADLO COc1cccc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000616946824 411746243 /nfs/dbraw/zinc/74/62/43/411746243.db2.gz IQZNTAKNNCGXCL-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1cccc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000616946824 411746246 /nfs/dbraw/zinc/74/62/46/411746246.db2.gz IQZNTAKNNCGXCL-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000616948138 411746979 /nfs/dbraw/zinc/74/69/79/411746979.db2.gz VYSWQIYEQSEIHY-UHFFFAOYSA-N 1 2 249.314 1.371 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]1c1ccc(F)cc1)N1CCC1 ZINC000661510345 411792412 /nfs/dbraw/zinc/79/24/12/411792412.db2.gz GGZSZJNEFACNLF-CYBMUJFWSA-N 1 2 248.301 1.805 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)N1CCC1 ZINC000661510345 411792414 /nfs/dbraw/zinc/79/24/14/411792414.db2.gz GGZSZJNEFACNLF-CYBMUJFWSA-N 1 2 248.301 1.805 20 0 BDADLO Cc1ccc(N(C)Cc2ccc(N)[nH+]c2)nn1 ZINC000663807527 411751506 /nfs/dbraw/zinc/75/15/06/411751506.db2.gz SATVZYLUVYECKD-UHFFFAOYSA-N 1 2 229.287 1.399 20 0 BDADLO Cc1[nH+]c(NCCF)nc(NCCF)c1F ZINC000663870320 411765547 /nfs/dbraw/zinc/76/55/47/411765547.db2.gz SGWXSGHPFSDFLJ-UHFFFAOYSA-N 1 2 234.225 1.687 20 0 BDADLO O[C@@H]1CC[N@H+](CC2CCCC2)CC1(F)F ZINC000661397941 411767142 /nfs/dbraw/zinc/76/71/42/411767142.db2.gz GFLYSCMFBBGNMH-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1CC[N@@H+](CC2CCCC2)CC1(F)F ZINC000661397941 411767144 /nfs/dbraw/zinc/76/71/44/411767144.db2.gz GFLYSCMFBBGNMH-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397552 411767289 /nfs/dbraw/zinc/76/72/89/411767289.db2.gz DGTOWJIJGLOZQD-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@@H](C)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397552 411767290 /nfs/dbraw/zinc/76/72/90/411767290.db2.gz DGTOWJIJGLOZQD-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO CCC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661405233 411769508 /nfs/dbraw/zinc/76/95/08/411769508.db2.gz CZUFYGUPVMSXFX-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661405233 411769510 /nfs/dbraw/zinc/76/95/10/411769510.db2.gz CZUFYGUPVMSXFX-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCC1 ZINC000661409351 411770434 /nfs/dbraw/zinc/77/04/34/411770434.db2.gz UXINNCFBQLJCHP-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO CC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CCC1 ZINC000661409351 411770436 /nfs/dbraw/zinc/77/04/36/411770436.db2.gz UXINNCFBQLJCHP-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)no1 ZINC000661433346 411774289 /nfs/dbraw/zinc/77/42/89/411774289.db2.gz DSBGIUILQSHIJU-GXSJLCMTSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)no1 ZINC000661433346 411774294 /nfs/dbraw/zinc/77/42/94/411774294.db2.gz DSBGIUILQSHIJU-GXSJLCMTSA-N 1 2 239.319 1.361 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CCO[C@H]2C[C@H]21 ZINC000663930662 411779953 /nfs/dbraw/zinc/77/99/53/411779953.db2.gz BTBKNKCIZVIUME-OLZOCXBDSA-N 1 2 241.294 1.795 20 0 BDADLO C[C@@H]1COC2(CCC2)CN1Cc1[nH+]ccn1C ZINC000661463474 411780965 /nfs/dbraw/zinc/78/09/65/411780965.db2.gz QNOJNOFOHSQORZ-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1nccn1C ZINC000661463474 411780969 /nfs/dbraw/zinc/78/09/69/411780969.db2.gz QNOJNOFOHSQORZ-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1nccn1C ZINC000661463474 411780971 /nfs/dbraw/zinc/78/09/71/411780971.db2.gz QNOJNOFOHSQORZ-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO CCNc1nccnc1NCc1[nH+]ccn1CC ZINC000663957844 411790473 /nfs/dbraw/zinc/79/04/73/411790473.db2.gz RBVQKJSDTULGCH-UHFFFAOYSA-N 1 2 246.318 1.737 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661163207 411723643 /nfs/dbraw/zinc/72/36/43/411723643.db2.gz BDGQPRXNYLRIAN-CYBMUJFWSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661163207 411723646 /nfs/dbraw/zinc/72/36/46/411723646.db2.gz BDGQPRXNYLRIAN-CYBMUJFWSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](c1cnccn1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545032 411799413 /nfs/dbraw/zinc/79/94/13/411799413.db2.gz OQPWSUCACYXIOM-MXWKQRLJSA-N 1 2 233.315 1.695 20 0 BDADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](C)C1=O ZINC000661544851 411800259 /nfs/dbraw/zinc/80/02/59/411800259.db2.gz MRSQBQFBOMXQPZ-NXEZZACHSA-N 1 2 221.304 1.077 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661551239 411801544 /nfs/dbraw/zinc/80/15/44/411801544.db2.gz BFGJYBZLUBXMCQ-GMTAPVOTSA-N 1 2 240.347 1.058 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@@H](C)C1=O ZINC000661549130 411801678 /nfs/dbraw/zinc/80/16/78/411801678.db2.gz LLWCXQTYGWXDFS-NXEZZACHSA-N 1 2 221.304 1.077 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1conc1C ZINC000664000123 411808082 /nfs/dbraw/zinc/80/80/82/411808082.db2.gz QMXXTFXMDYTGLJ-UHFFFAOYSA-N 1 2 244.258 1.213 20 0 BDADLO CC[C@]1(C)CC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000664000000 411808441 /nfs/dbraw/zinc/80/84/41/411808441.db2.gz ODCKIBIOFRBDHD-CYBMUJFWSA-N 1 2 247.298 1.339 20 0 BDADLO CCn1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000618044048 411809194 /nfs/dbraw/zinc/80/91/94/411809194.db2.gz AYGNRLDDDQMBSM-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO CCn1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000618044048 411809197 /nfs/dbraw/zinc/80/91/97/411809197.db2.gz AYGNRLDDDQMBSM-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Nc1cc(C)on1 ZINC000631468119 411812068 /nfs/dbraw/zinc/81/20/68/411812068.db2.gz DYPUYZQMUFLRJO-UHFFFAOYSA-N 1 2 249.274 1.521 20 0 BDADLO C[N@@H+](Cc1ccncc1F)C[C@H]1COCCO1 ZINC000661615318 411818647 /nfs/dbraw/zinc/81/86/47/411818647.db2.gz ZMSCTLZCSWEHKO-NSHDSACASA-N 1 2 240.278 1.068 20 0 BDADLO C[N@H+](Cc1ccncc1F)C[C@H]1COCCO1 ZINC000661615318 411818649 /nfs/dbraw/zinc/81/86/49/411818649.db2.gz ZMSCTLZCSWEHKO-NSHDSACASA-N 1 2 240.278 1.068 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661629321 411823697 /nfs/dbraw/zinc/82/36/97/411823697.db2.gz WFAIPVDRXRQBPC-QCBRBAQYSA-N 1 2 239.319 1.388 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661629321 411823699 /nfs/dbraw/zinc/82/36/99/411823699.db2.gz WFAIPVDRXRQBPC-QCBRBAQYSA-N 1 2 239.319 1.388 20 0 BDADLO O[C@]1(C2CC2)CCC[N@H+](CC(F)F)C1 ZINC000661631804 411826765 /nfs/dbraw/zinc/82/67/65/411826765.db2.gz LTPYWMLDGIFUDG-SNVBAGLBSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@]1(C2CC2)CCC[N@@H+](CC(F)F)C1 ZINC000661631804 411826770 /nfs/dbraw/zinc/82/67/70/411826770.db2.gz LTPYWMLDGIFUDG-SNVBAGLBSA-N 1 2 205.248 1.488 20 0 BDADLO Cc1[nH+]c2cc(OCCO)ccc2n1C ZINC000664046432 411827072 /nfs/dbraw/zinc/82/70/72/411827072.db2.gz DULTYTRUPWPCHT-UHFFFAOYSA-N 1 2 206.245 1.253 20 0 BDADLO COc1cc[nH+]cc1Cn1cc2c(n1)CCOC2 ZINC000664048386 411828086 /nfs/dbraw/zinc/82/80/86/411828086.db2.gz GPINOWNIFDBMJB-UHFFFAOYSA-N 1 2 245.282 1.408 20 0 BDADLO Cc1[nH+]cccc1Cn1cc2c(n1)CCOC2 ZINC000664048583 411828683 /nfs/dbraw/zinc/82/86/83/411828683.db2.gz KOWPCHYPCUYOKY-UHFFFAOYSA-N 1 2 229.283 1.708 20 0 BDADLO C[N@H+](Cc1cnns1)CC1=CCCOC1 ZINC000661653380 411829980 /nfs/dbraw/zinc/82/99/80/411829980.db2.gz HSYIDOMVWQVVRM-UHFFFAOYSA-N 1 2 225.317 1.317 20 0 BDADLO C[N@@H+](Cc1cnns1)CC1=CCCOC1 ZINC000661653380 411829983 /nfs/dbraw/zinc/82/99/83/411829983.db2.gz HSYIDOMVWQVVRM-UHFFFAOYSA-N 1 2 225.317 1.317 20 0 BDADLO C/C=C/C=C\C(=O)NCc1c[nH+]c(C)nc1N ZINC000493188089 411848707 /nfs/dbraw/zinc/84/87/07/411848707.db2.gz NNCSEPAYTWAQJK-ICWBMWKASA-N 1 2 232.287 1.116 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)c1cc2c(nn1)CCC2 ZINC000664126894 411862198 /nfs/dbraw/zinc/86/21/98/411862198.db2.gz LUQKOCREWKNPBA-UHFFFAOYSA-N 1 2 229.287 1.325 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)c1cc2c(nn1)CCC2 ZINC000664126894 411862202 /nfs/dbraw/zinc/86/22/02/411862202.db2.gz LUQKOCREWKNPBA-UHFFFAOYSA-N 1 2 229.287 1.325 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1(CO)CC1 ZINC000664271473 411907167 /nfs/dbraw/zinc/90/71/67/411907167.db2.gz KPDKAIXGFURRCD-SECBINFHSA-N 1 2 233.315 1.927 20 0 BDADLO Cc1nc(N2CCC[C@H](C)[C@@H]2CCO)cc[nH+]1 ZINC000664284704 411911737 /nfs/dbraw/zinc/91/17/37/411911737.db2.gz BJYJOQJBQDGETB-JQWIXIFHSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1cccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664287695 411913340 /nfs/dbraw/zinc/91/33/40/411913340.db2.gz NKFBIJKIESJABB-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1cccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664287695 411913343 /nfs/dbraw/zinc/91/33/43/411913343.db2.gz NKFBIJKIESJABB-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1nc(N(C)Cc2ccc(O)cc2)nc(N)[nH+]1 ZINC000631185586 411942933 /nfs/dbraw/zinc/94/29/33/411942933.db2.gz DTHIANZREFXNAA-UHFFFAOYSA-N 1 2 245.286 1.104 20 0 BDADLO Cc1nc(N)nc(N(C)Cc2ccc(O)cc2)[nH+]1 ZINC000631185586 411942936 /nfs/dbraw/zinc/94/29/36/411942936.db2.gz DTHIANZREFXNAA-UHFFFAOYSA-N 1 2 245.286 1.104 20 0 BDADLO FC1(F)C[C@@H]1OCCNc1cccc[nH+]1 ZINC000664313181 411919637 /nfs/dbraw/zinc/91/96/37/411919637.db2.gz HVVVQPFMIZPXKB-QMMMGPOBSA-N 1 2 214.215 1.918 20 0 BDADLO Cn1ccc(C[NH+]2CCC3(CCCC3=O)CC2)n1 ZINC000661956813 411920827 /nfs/dbraw/zinc/92/08/27/411920827.db2.gz BFDYFCOTYSGJOX-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO CCc1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000664465208 411966474 /nfs/dbraw/zinc/96/64/74/411966474.db2.gz HUZSDJNYMMYXNB-GHMZBOCLSA-N 1 2 233.315 1.754 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2=CCCC2)nc[nH+]1 ZINC000664541756 411980821 /nfs/dbraw/zinc/98/08/21/411980821.db2.gz HADCMOULOUYTAF-SNVBAGLBSA-N 1 2 248.330 1.792 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2=CCCC2)[nH+]cn1 ZINC000664541756 411980824 /nfs/dbraw/zinc/98/08/24/411980824.db2.gz HADCMOULOUYTAF-SNVBAGLBSA-N 1 2 248.330 1.792 20 0 BDADLO C[C@H](NC(=O)N1CCC[C@@H]1C)c1[nH+]ccn1C ZINC000662102878 411987010 /nfs/dbraw/zinc/98/70/10/411987010.db2.gz ZNIWMGDTUQETMT-UWVGGRQHSA-N 1 2 236.319 1.675 20 0 BDADLO CCc1cc(N[C@@H]2C[C@]2(C)OC)nc[nH+]1 ZINC000664602835 411994827 /nfs/dbraw/zinc/99/48/27/411994827.db2.gz BECONMSJYMSZDG-KOLCDFICSA-N 1 2 207.277 1.628 20 0 BDADLO CC12CC(C1)CN2c1nc[nH+]c(N)c1Cl ZINC000664693831 412011991 /nfs/dbraw/zinc/01/19/91/412011991.db2.gz PDMHOADJLARBMH-UHFFFAOYSA-N 1 2 224.695 1.701 20 0 BDADLO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000662159677 412012600 /nfs/dbraw/zinc/01/26/00/412012600.db2.gz CBBWJPUMCFJSFY-DTWKUNHWSA-N 1 2 224.308 1.663 20 0 BDADLO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000662159677 412012602 /nfs/dbraw/zinc/01/26/02/412012602.db2.gz CBBWJPUMCFJSFY-DTWKUNHWSA-N 1 2 224.308 1.663 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)nc(N)[nH+]1 ZINC000631370703 411944951 /nfs/dbraw/zinc/94/49/51/411944951.db2.gz SRIWQYAWVXVKFX-UTLUCORTSA-N 1 2 233.319 1.032 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000631370703 411944957 /nfs/dbraw/zinc/94/49/57/411944957.db2.gz SRIWQYAWVXVKFX-UTLUCORTSA-N 1 2 233.319 1.032 20 0 BDADLO C[C@@]12COC[C@@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000664420747 411950079 /nfs/dbraw/zinc/95/00/79/411950079.db2.gz ZTWUYSQUYXIFOC-SMDDNHRTSA-N 1 2 245.326 1.827 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000664438235 411958457 /nfs/dbraw/zinc/95/84/57/411958457.db2.gz FPDJABYAUMWFPU-CMPLNLGQSA-N 1 2 245.326 1.923 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000664440873 411960214 /nfs/dbraw/zinc/96/02/14/411960214.db2.gz HEZHCEBNZDWJJH-MWLCHTKSSA-N 1 2 248.330 1.401 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000664440873 411960219 /nfs/dbraw/zinc/96/02/19/411960219.db2.gz HEZHCEBNZDWJJH-MWLCHTKSSA-N 1 2 248.330 1.401 20 0 BDADLO C[C@H](NC(=O)Nc1ccncc1)c1[nH+]ccn1C ZINC000664454498 411961593 /nfs/dbraw/zinc/96/15/93/411961593.db2.gz KRRZXWYSPLTWGJ-VIFPVBQESA-N 1 2 245.286 1.120 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](C3CCC3)C2)[nH]1 ZINC000662045486 411962150 /nfs/dbraw/zinc/96/21/50/411962150.db2.gz XQGDGQJZVIICMN-JTQLQIEISA-N 1 2 236.319 1.522 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@H](C3CCC3)C2)[nH]1 ZINC000662045486 411962153 /nfs/dbraw/zinc/96/21/53/411962153.db2.gz XQGDGQJZVIICMN-JTQLQIEISA-N 1 2 236.319 1.522 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@@H]1c1cccnc1 ZINC000664825975 412026655 /nfs/dbraw/zinc/02/66/55/412026655.db2.gz NERZQOMNUCFZHM-NWDGAFQWSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)[C@@H]1c1cccnc1 ZINC000664825975 412026657 /nfs/dbraw/zinc/02/66/57/412026657.db2.gz NERZQOMNUCFZHM-NWDGAFQWSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)[C@@H]1c1ccncc1 ZINC000664833412 412028997 /nfs/dbraw/zinc/02/89/97/412028997.db2.gz KZXMFLDUEJSJGH-VXGBXAGGSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)[C@@H]1c1ccncc1 ZINC000664833412 412029002 /nfs/dbraw/zinc/02/90/02/412029002.db2.gz KZXMFLDUEJSJGH-VXGBXAGGSA-N 1 2 245.326 1.353 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831383 412029505 /nfs/dbraw/zinc/02/95/05/412029505.db2.gz CXNGSMHEFASFCB-ONGXEEELSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831383 412029507 /nfs/dbraw/zinc/02/95/07/412029507.db2.gz CXNGSMHEFASFCB-ONGXEEELSA-N 1 2 233.315 1.338 20 0 BDADLO COCC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662239888 412037789 /nfs/dbraw/zinc/03/77/89/412037789.db2.gz YDQJUISTYUYJHA-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662239888 412037793 /nfs/dbraw/zinc/03/77/93/412037793.db2.gz YDQJUISTYUYJHA-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H]1C[N@H+](CCO)C[C@H](CC(F)(F)F)O1 ZINC000662241325 412038109 /nfs/dbraw/zinc/03/81/09/412038109.db2.gz JGMCPQGFBWRXLU-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](CCO)C[C@H](CC(F)(F)F)O1 ZINC000662241325 412038112 /nfs/dbraw/zinc/03/81/12/412038112.db2.gz JGMCPQGFBWRXLU-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000294478713 170986740 /nfs/dbraw/zinc/98/67/40/170986740.db2.gz DGHRCRLNEPDEHM-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC2=CCSC2)[nH]1 ZINC000662265601 412057814 /nfs/dbraw/zinc/05/78/14/412057814.db2.gz DGXJZIKQJQTHQH-QMMMGPOBSA-N 1 2 238.360 1.779 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC2=CCSC2)[nH]1 ZINC000662265601 412057819 /nfs/dbraw/zinc/05/78/19/412057819.db2.gz DGXJZIKQJQTHQH-QMMMGPOBSA-N 1 2 238.360 1.779 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)cnn2C)CCO1 ZINC000289229741 171086074 /nfs/dbraw/zinc/08/60/74/171086074.db2.gz YJOIKPBOWBTVOR-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)cnn2C)CCO1 ZINC000289229741 171086076 /nfs/dbraw/zinc/08/60/76/171086076.db2.gz YJOIKPBOWBTVOR-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000290439135 171092196 /nfs/dbraw/zinc/09/21/96/171092196.db2.gz NTPYNUZEKJJGNO-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@@H](C)O1 ZINC000290439135 171092199 /nfs/dbraw/zinc/09/21/99/171092199.db2.gz NTPYNUZEKJJGNO-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2[nH]ncc2C)C[C@@H](C)O1 ZINC000290439135 171092200 /nfs/dbraw/zinc/09/22/00/171092200.db2.gz NTPYNUZEKJJGNO-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2[nH]ncc2C)C[C@@H](C)O1 ZINC000290439135 171092204 /nfs/dbraw/zinc/09/22/04/171092204.db2.gz NTPYNUZEKJJGNO-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2conc2C)C[C@H](C)O1 ZINC000295230735 171092623 /nfs/dbraw/zinc/09/26/23/171092623.db2.gz CUYRDIDSNVOOBQ-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2conc2C)C[C@H](C)O1 ZINC000295230735 171092624 /nfs/dbraw/zinc/09/26/24/171092624.db2.gz CUYRDIDSNVOOBQ-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnn1CC ZINC000120432230 171107021 /nfs/dbraw/zinc/10/70/21/171107021.db2.gz YTVCQXKYARILSG-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnn1CC ZINC000120432230 171107022 /nfs/dbraw/zinc/10/70/22/171107022.db2.gz YTVCQXKYARILSG-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673648 171127815 /nfs/dbraw/zinc/12/78/15/171127815.db2.gz FYYHKQSZQITFQQ-JGVFFNPUSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673648 171127817 /nfs/dbraw/zinc/12/78/17/171127817.db2.gz FYYHKQSZQITFQQ-JGVFFNPUSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000334130425 171152630 /nfs/dbraw/zinc/15/26/30/171152630.db2.gz TXAYVWBUMBBVRE-ZJUUUORDSA-N 1 2 247.302 1.343 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287787844 171155216 /nfs/dbraw/zinc/15/52/16/171155216.db2.gz IIRVEPVGRKGFPP-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@](C)(O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000370748035 171179916 /nfs/dbraw/zinc/17/99/16/171179916.db2.gz DFHFSMJRPWOCCX-CYBMUJFWSA-N 1 2 246.314 1.262 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000335306907 171206273 /nfs/dbraw/zinc/20/62/73/171206273.db2.gz UTYLVXMALLXLIQ-YPMHNXCESA-N 1 2 233.315 1.662 20 0 BDADLO CC[C@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858983 171252259 /nfs/dbraw/zinc/25/22/59/171252259.db2.gz XNOICZMRJOHNAP-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858983 171252261 /nfs/dbraw/zinc/25/22/61/171252261.db2.gz XNOICZMRJOHNAP-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)CN(C)C(=O)NCc1[nH+]ccn1C ZINC000264729897 171269789 /nfs/dbraw/zinc/26/97/89/171269789.db2.gz GRLYQTADCOQTGI-JTQLQIEISA-N 1 2 238.335 1.608 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295100990 171333744 /nfs/dbraw/zinc/33/37/44/171333744.db2.gz GJVCWGMCILVAER-RYUDHWBXSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295100990 171333746 /nfs/dbraw/zinc/33/37/46/171333746.db2.gz GJVCWGMCILVAER-RYUDHWBXSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000289843618 171334291 /nfs/dbraw/zinc/33/42/91/171334291.db2.gz KHDFKIAUGLEWTO-UWVGGRQHSA-N 1 2 238.335 1.111 20 0 BDADLO CC[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271317232 171336327 /nfs/dbraw/zinc/33/63/27/171336327.db2.gz NGYRMCNLYHTZPJ-JTQLQIEISA-N 1 2 244.298 1.796 20 0 BDADLO CC[C@H](C)OCC(=O)NCc1[nH]c[nH+]c1C ZINC000269772093 171353643 /nfs/dbraw/zinc/35/36/43/171353643.db2.gz PXGNOODOLJQKCM-QMMMGPOBSA-N 1 2 225.292 1.149 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276551348 171361571 /nfs/dbraw/zinc/36/15/71/171361571.db2.gz HSCCBSLMZIJEOY-FQNVXPIYSA-N 1 2 221.304 1.974 20 0 BDADLO COCc1c(N)cccc1-c1[nH+]ccn1C ZINC000665180798 412120932 /nfs/dbraw/zinc/12/09/32/412120932.db2.gz IIRQREKDZVTJSE-UHFFFAOYSA-N 1 2 217.272 1.816 20 0 BDADLO CC[C@H](COC)[NH2+][C@H](CC1CC1)C(=O)OC ZINC000414480009 487622383 /nfs/dbraw/zinc/62/23/83/487622383.db2.gz ALEPWRLUUIOALA-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO Cn1ncc2c1nc(NCC1CC=CC1)[nH+]c2N ZINC000528115197 412193343 /nfs/dbraw/zinc/19/33/43/412193343.db2.gz OZCJVGIDHBTFGF-UHFFFAOYSA-N 1 2 244.302 1.324 20 0 BDADLO CC[C@H](O)CCC[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000357516768 171554429 /nfs/dbraw/zinc/55/44/29/171554429.db2.gz RSQGHXWBJCNISU-JTQLQIEISA-N 1 2 233.315 1.948 20 0 BDADLO CC[C@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000264528249 171588154 /nfs/dbraw/zinc/58/81/54/171588154.db2.gz NPXARXKAUWHVNJ-JTQLQIEISA-N 1 2 208.261 1.754 20 0 BDADLO CC[C@H]1C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC000339162524 171677287 /nfs/dbraw/zinc/67/72/87/171677287.db2.gz GZCZKDRPPYTUJO-ONGXEEELSA-N 1 2 221.304 1.267 20 0 BDADLO CC1(C)CNC(=O)[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000631375589 412331462 /nfs/dbraw/zinc/33/14/62/412331462.db2.gz CBTAWTTXPRVFEM-SNVBAGLBSA-N 1 2 246.314 1.291 20 0 BDADLO C[C@H](CCNc1cccc(C(=O)[O-])[nH+]1)[NH+](C)C ZINC000662883591 412334758 /nfs/dbraw/zinc/33/47/58/412334758.db2.gz MYEQXAGVANOTOR-SECBINFHSA-N 1 2 237.303 1.532 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000361305295 171720046 /nfs/dbraw/zinc/72/00/46/171720046.db2.gz XRESNIAFBGPOOX-MISXGVKJSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1nccs1 ZINC000665575263 412369552 /nfs/dbraw/zinc/36/95/52/412369552.db2.gz NKEBTRZXTRWLOH-HTQZYQBOSA-N 1 2 248.311 1.619 20 0 BDADLO CCc1cc(N)nc(S[C@@H]2CCOC2)[nH+]1 ZINC000279017933 171761464 /nfs/dbraw/zinc/76/14/64/171761464.db2.gz BMGBGUSQKFLLKS-MRVPVSSYSA-N 1 2 225.317 1.502 20 0 BDADLO c1cn(Cc2nc([C@H]3CCOC3)cs2)c[nH+]1 ZINC000663220644 412394596 /nfs/dbraw/zinc/39/45/96/412394596.db2.gz SVCPYODEGACEAK-VIFPVBQESA-N 1 2 235.312 1.892 20 0 BDADLO CCCc1nccnc1NCc1c[nH+]cn1C ZINC000663258809 412402139 /nfs/dbraw/zinc/40/21/39/412402139.db2.gz PWCSKNJZRUPHKC-UHFFFAOYSA-N 1 2 231.303 1.775 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cnccc2C)[nH]1 ZINC000280457115 172003130 /nfs/dbraw/zinc/00/31/30/172003130.db2.gz ZMBZGWMOZPVNFR-SNVBAGLBSA-N 1 2 245.330 1.921 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)[nH]1 ZINC000285308585 172007980 /nfs/dbraw/zinc/00/79/80/172007980.db2.gz SLJJKINXCBOMEY-SFYZADRCSA-N 1 2 234.307 1.502 20 0 BDADLO CCc1[nH+]c2ccccc2n1CC(=O)NC ZINC000039102002 172014152 /nfs/dbraw/zinc/01/41/52/172014152.db2.gz FQBWBTDWGWDJQI-UHFFFAOYSA-N 1 2 217.272 1.345 20 0 BDADLO CCc1ncc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000092093648 172022002 /nfs/dbraw/zinc/02/20/02/172022002.db2.gz WSCWZGZPPFHEIP-UHFFFAOYSA-N 1 2 246.274 1.084 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@H]2CCOC2)o1 ZINC000336684631 172049155 /nfs/dbraw/zinc/04/91/55/172049155.db2.gz ZWNUDDRFRJKRSZ-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@H]2CCOC2)o1 ZINC000336684631 172049157 /nfs/dbraw/zinc/04/91/57/172049157.db2.gz ZWNUDDRFRJKRSZ-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[NH2+]Cc2conc2C)s1 ZINC000339413245 172052692 /nfs/dbraw/zinc/05/26/92/172052692.db2.gz UIQKGXLSRXTWJQ-UHFFFAOYSA-N 1 2 238.316 1.687 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](OC)C2)o1 ZINC000361372293 172065549 /nfs/dbraw/zinc/06/55/49/172065549.db2.gz MGWIBOLAAAJFHV-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](OC)C2)o1 ZINC000361372293 172065552 /nfs/dbraw/zinc/06/55/52/172065552.db2.gz MGWIBOLAAAJFHV-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338584726 172077070 /nfs/dbraw/zinc/07/70/70/172077070.db2.gz GSBXGTQOCBUITA-GFCCVEGCSA-N 1 2 242.294 1.452 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338584726 172077072 /nfs/dbraw/zinc/07/70/72/172077072.db2.gz GSBXGTQOCBUITA-GFCCVEGCSA-N 1 2 242.294 1.452 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1nccn1C ZINC000339440428 172079077 /nfs/dbraw/zinc/07/90/77/172079077.db2.gz XVWFJDQDXSELMD-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO CCc1noc([C@@H](C)N(C)Cc2[nH+]ccn2C)n1 ZINC000270529999 172089629 /nfs/dbraw/zinc/08/96/29/172089629.db2.gz DTBJSKIDODEDIS-SECBINFHSA-N 1 2 249.318 1.559 20 0 BDADLO CCc1noc([C@H](C)N(C)Cc2[nH+]ccn2C)n1 ZINC000270530002 172090673 /nfs/dbraw/zinc/09/06/73/172090673.db2.gz DTBJSKIDODEDIS-VIFPVBQESA-N 1 2 249.318 1.559 20 0 BDADLO CCc1nocc1C[N@@H+](C)CC(=O)N(C)CC ZINC000339606061 172092954 /nfs/dbraw/zinc/09/29/54/172092954.db2.gz FWARDRNRFZIEOL-UHFFFAOYSA-N 1 2 239.319 1.147 20 0 BDADLO CCc1nocc1C[N@H+](C)CC(=O)N(C)CC ZINC000339606061 172092956 /nfs/dbraw/zinc/09/29/56/172092956.db2.gz FWARDRNRFZIEOL-UHFFFAOYSA-N 1 2 239.319 1.147 20 0 BDADLO CCc1nocc1C[N@H+](C)CC1OCCO1 ZINC000293336291 172093118 /nfs/dbraw/zinc/09/31/18/172093118.db2.gz GUQUMIIIHBVJFP-UHFFFAOYSA-N 1 2 226.276 1.042 20 0 BDADLO CCc1nocc1C[N@@H+](C)CC1OCCO1 ZINC000293336291 172093120 /nfs/dbraw/zinc/09/31/20/172093120.db2.gz GUQUMIIIHBVJFP-UHFFFAOYSA-N 1 2 226.276 1.042 20 0 BDADLO CCc1nocc1CN(C)Cc1[nH+]ccn1C ZINC000293507227 172095719 /nfs/dbraw/zinc/09/57/19/172095719.db2.gz UWKCCVNQTFUBFB-UHFFFAOYSA-N 1 2 234.303 1.603 20 0 BDADLO CCn1c(C)cc(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000114335802 172135753 /nfs/dbraw/zinc/13/57/53/172135753.db2.gz IONCEWUDVHTJQL-UHFFFAOYSA-N 1 2 246.314 1.778 20 0 BDADLO CCn1cc(C[N@H+](C(C)C)C2COC2)cn1 ZINC000295585325 172160024 /nfs/dbraw/zinc/16/00/24/172160024.db2.gz BSFIHQSQONEJAW-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@@H+](C(C)C)C2COC2)cn1 ZINC000295585325 172160025 /nfs/dbraw/zinc/16/00/25/172160025.db2.gz BSFIHQSQONEJAW-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[NH2+]Cc2nccs2)cn1 ZINC000112097083 172172879 /nfs/dbraw/zinc/17/28/79/172172879.db2.gz PPZUKHRPLPDUHD-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO CCn1cccc1C[N@H+](C)[C@H](C)C(=O)OC ZINC000267379633 172203133 /nfs/dbraw/zinc/20/31/33/172203133.db2.gz APAPOOYOQYNUKM-SNVBAGLBSA-N 1 2 224.304 1.501 20 0 BDADLO CCn1cccc1C[N@@H+](C)[C@H](C)C(=O)OC ZINC000267379633 172203136 /nfs/dbraw/zinc/20/31/36/172203136.db2.gz APAPOOYOQYNUKM-SNVBAGLBSA-N 1 2 224.304 1.501 20 0 BDADLO CCn1ccnc1C(=O)Nc1cc[nH+]cc1C ZINC000291587323 172217821 /nfs/dbraw/zinc/21/78/21/172217821.db2.gz VPKSSHQAMKMPDP-UHFFFAOYSA-N 1 2 230.271 1.859 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000366383161 172221759 /nfs/dbraw/zinc/22/17/59/172221759.db2.gz ZCZAEQWUZRJJOD-YPMHNXCESA-N 1 2 249.358 1.902 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000366383159 172221818 /nfs/dbraw/zinc/22/18/18/172221818.db2.gz ZCZAEQWUZRJJOD-DGCLKSJQSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854134 172222332 /nfs/dbraw/zinc/22/23/32/172222332.db2.gz KKTMEAXFVGATMA-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000118854134 172222334 /nfs/dbraw/zinc/22/23/34/172222334.db2.gz KKTMEAXFVGATMA-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC000295584840 172222462 /nfs/dbraw/zinc/22/24/62/172222462.db2.gz HFPJCOBWNYIOMS-QWRGUYRKSA-N 1 2 235.331 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1CCCC1 ZINC000295718281 172222910 /nfs/dbraw/zinc/22/29/10/172222910.db2.gz KIXMHPHAGBONCI-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cc(F)c[nH]1 ZINC000295722473 172222947 /nfs/dbraw/zinc/22/29/47/172222947.db2.gz QOPMJPMAAOKMSL-UHFFFAOYSA-N 1 2 236.250 1.300 20 0 BDADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(C)=O ZINC000281712246 172230736 /nfs/dbraw/zinc/23/07/36/172230736.db2.gz HVNSGWYFTCPYLR-LLVKDONJSA-N 1 2 221.304 1.977 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cccnc1 ZINC000183659393 172263175 /nfs/dbraw/zinc/26/31/75/172263175.db2.gz KEEPIORQKRROKZ-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cccnc1 ZINC000183659393 172263178 /nfs/dbraw/zinc/26/31/78/172263178.db2.gz KEEPIORQKRROKZ-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1nccc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000131120061 172264103 /nfs/dbraw/zinc/26/41/03/172264103.db2.gz MEAIYYWGVBYYEN-MGPLVRAMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1nccc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000131120061 172264106 /nfs/dbraw/zinc/26/41/06/172264106.db2.gz MEAIYYWGVBYYEN-MGPLVRAMSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000119695953 172264116 /nfs/dbraw/zinc/26/41/16/172264116.db2.gz SAZZJUMFLWAGJZ-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000119695953 172264117 /nfs/dbraw/zinc/26/41/17/172264117.db2.gz SAZZJUMFLWAGJZ-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1nccc1C[NH2+]Cc1nc(C)cs1 ZINC000159940754 172270107 /nfs/dbraw/zinc/27/01/07/172270107.db2.gz FVLANLUXHPSYMZ-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1ncnc1C[N@H+]1CC=C(C)CC1 ZINC000278919949 172278209 /nfs/dbraw/zinc/27/82/09/172278209.db2.gz USLZSUSSMBZTEU-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC=C(C)CC1 ZINC000278919949 172278211 /nfs/dbraw/zinc/27/82/11/172278211.db2.gz USLZSUSSMBZTEU-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC=C(C)C1 ZINC000280534169 172279225 /nfs/dbraw/zinc/27/92/25/172279225.db2.gz ADWHJBJVLPGCDY-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC=C(C)C1 ZINC000280534169 172279227 /nfs/dbraw/zinc/27/92/27/172279227.db2.gz ADWHJBJVLPGCDY-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCc2ccccc2C1 ZINC000193291664 172280595 /nfs/dbraw/zinc/28/05/95/172280595.db2.gz QKFBMSJBQLFHQG-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1ncnc1C[N@H+]1CCc2ccccc2C1 ZINC000193291664 172280597 /nfs/dbraw/zinc/28/05/97/172280597.db2.gz QKFBMSJBQLFHQG-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000336395109 172365219 /nfs/dbraw/zinc/36/52/19/172365219.db2.gz DRFUVLFXBDHTAF-ZDUSSCGKSA-N 1 2 248.326 1.148 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000336395109 172365221 /nfs/dbraw/zinc/36/52/21/172365221.db2.gz DRFUVLFXBDHTAF-ZDUSSCGKSA-N 1 2 248.326 1.148 20 0 BDADLO CN(C)C(=O)O[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000295057466 172382538 /nfs/dbraw/zinc/38/25/38/172382538.db2.gz YIJRMVSSGMBODV-JTQLQIEISA-N 1 2 235.287 1.359 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364932295 172681824 /nfs/dbraw/zinc/68/18/24/172681824.db2.gz HVOOGHWNEAPVID-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO CN(C[C@H]1CCC[C@@H]1O)c1cc[nH+]c(C2CC2)n1 ZINC000166885741 172831853 /nfs/dbraw/zinc/83/18/53/172831853.db2.gz PLCDNNJHXMHARS-NEPJUHHUSA-N 1 2 247.342 1.951 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1ccco1 ZINC000162171379 172890546 /nfs/dbraw/zinc/89/05/46/172890546.db2.gz CEIYXXSPXDZGCZ-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1ccco1 ZINC000162171379 172890548 /nfs/dbraw/zinc/89/05/48/172890548.db2.gz CEIYXXSPXDZGCZ-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO CN1CC[C@H]([N@@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000119002845 173151044 /nfs/dbraw/zinc/15/10/44/173151044.db2.gz LNFHWZCAQRMHDQ-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@H]([N@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000119002845 173151049 /nfs/dbraw/zinc/15/10/49/173151049.db2.gz LNFHWZCAQRMHDQ-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO CNC(=O)C1CCC(Nc2cccc[nH+]2)CC1 ZINC000049469550 173223215 /nfs/dbraw/zinc/22/32/15/173223215.db2.gz SGGGAVQNJFUQNM-UHFFFAOYSA-N 1 2 233.315 1.798 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000374041405 173275067 /nfs/dbraw/zinc/27/50/67/173275067.db2.gz HYZUUTYSGXSXCK-LLVKDONJSA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374041405 173275068 /nfs/dbraw/zinc/27/50/68/173275068.db2.gz HYZUUTYSGXSXCK-LLVKDONJSA-N 1 2 222.263 1.319 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000292441497 173303972 /nfs/dbraw/zinc/30/39/72/173303972.db2.gz YJNHAZYVMAOJLA-QMMMGPOBSA-N 1 2 230.271 1.176 20 0 BDADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000309560656 173307845 /nfs/dbraw/zinc/30/78/45/173307845.db2.gz KYMZHGOQSSBDMN-UWVGGRQHSA-N 1 2 219.288 1.408 20 0 BDADLO C[NH2+]C(C)(C)CNc1nc([C@H](C)OC)ns1 ZINC000336764586 173319708 /nfs/dbraw/zinc/31/97/08/173319708.db2.gz NLTGOKYAHNAPBS-ZETCQYMHSA-N 1 2 244.364 1.077 20 0 BDADLO C[NH2+]Cc1noc(C[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000333940908 173399352 /nfs/dbraw/zinc/39/93/52/173399352.db2.gz ONLUVWUYGWPHIC-VGMNWLOBSA-N 1 2 207.277 1.378 20 0 BDADLO C[NH2+]Cc1noc([C@H]2CCC[C@@H](F)C2)n1 ZINC000335074177 173399697 /nfs/dbraw/zinc/39/96/97/173399697.db2.gz AFVLJQMLBOQGBX-JGVFFNPUSA-N 1 2 213.256 1.785 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@H](C)O ZINC000336775209 173805200 /nfs/dbraw/zinc/80/52/00/173805200.db2.gz YISMUVSSMMRABH-IVZWLZJFSA-N 1 2 229.320 1.077 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)C1CC1 ZINC000356707461 173806054 /nfs/dbraw/zinc/80/60/54/173806054.db2.gz YFLJEQCWJNVXKG-ADEWGFFLSA-N 1 2 241.331 1.485 20 0 BDADLO COCC(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000270051619 174067338 /nfs/dbraw/zinc/06/73/38/174067338.db2.gz RLEBOLNWYDPMHZ-SNVBAGLBSA-N 1 2 239.319 1.060 20 0 BDADLO COCC1(C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000352335479 174090369 /nfs/dbraw/zinc/09/03/69/174090369.db2.gz YHIFWBQSCZHLFP-UHFFFAOYSA-N 1 2 236.271 1.455 20 0 BDADLO COCCC(=O)OCc1c[nH+]ccc1OC ZINC000286874079 174138531 /nfs/dbraw/zinc/13/85/31/174138531.db2.gz DQSCXYMRMOXICS-UHFFFAOYSA-N 1 2 225.244 1.170 20 0 BDADLO COCCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116895329 174230313 /nfs/dbraw/zinc/23/03/13/174230313.db2.gz CLAANKHWKJDFIA-GFCCVEGCSA-N 1 2 239.315 1.998 20 0 BDADLO COCCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116895329 174230316 /nfs/dbraw/zinc/23/03/16/174230316.db2.gz CLAANKHWKJDFIA-GFCCVEGCSA-N 1 2 239.315 1.998 20 0 BDADLO COCCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273679449 174265389 /nfs/dbraw/zinc/26/53/89/174265389.db2.gz BOUXFVPAUIBQLQ-UHFFFAOYSA-N 1 2 247.298 1.943 20 0 BDADLO COCC[N@H+](C)Cc1ncc(Cl)s1 ZINC000336651262 174280784 /nfs/dbraw/zinc/28/07/84/174280784.db2.gz JPHVJYVIXHYJFQ-UHFFFAOYSA-N 1 2 220.725 1.875 20 0 BDADLO COCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000336651262 174280785 /nfs/dbraw/zinc/28/07/85/174280785.db2.gz JPHVJYVIXHYJFQ-UHFFFAOYSA-N 1 2 220.725 1.875 20 0 BDADLO COCC[N@H+](Cc1[nH]ncc1C)C1CC1 ZINC000356064295 174300880 /nfs/dbraw/zinc/30/08/80/174300880.db2.gz NKPCUKGUBZVERK-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO COCC[N@@H+](Cc1[nH]ncc1C)C1CC1 ZINC000356064295 174300881 /nfs/dbraw/zinc/30/08/81/174300881.db2.gz NKPCUKGUBZVERK-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO COCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000301571479 174341752 /nfs/dbraw/zinc/34/17/52/174341752.db2.gz OELACRZPZODYEO-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO COCCOC1C[NH+](Cc2ccc(C)cc2)C1 ZINC000354188644 174344189 /nfs/dbraw/zinc/34/41/89/174344189.db2.gz MTBNQCLIINGYMB-UHFFFAOYSA-N 1 2 235.327 1.842 20 0 BDADLO COCC[C@@H]([NH2+]Cc1nccn1C)c1ccco1 ZINC000272636948 174394394 /nfs/dbraw/zinc/39/43/94/174394394.db2.gz YOQVEDMTUHXDQB-LLVKDONJSA-N 1 2 249.314 1.881 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cn[nH]c1C)C(C)C ZINC000266618351 174731735 /nfs/dbraw/zinc/73/17/35/174731735.db2.gz KPZHVMWPTGIZNO-NSHDSACASA-N 1 2 211.309 1.479 20 0 BDADLO COc1ccc(C(=O)Nc2cc[nH+]cc2C)nc1 ZINC000360175562 175057882 /nfs/dbraw/zinc/05/78/82/175057882.db2.gz LNFXGCZYBRQJNF-UHFFFAOYSA-N 1 2 243.266 1.468 20 0 BDADLO COc1ccc(C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000291443386 175098191 /nfs/dbraw/zinc/09/81/91/175098191.db2.gz KVEWTEJDCHUQFJ-UHFFFAOYSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nn1 ZINC000283419052 175100966 /nfs/dbraw/zinc/10/09/66/175100966.db2.gz FSSRGCCZKGTCIV-NWDGAFQWSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nn1 ZINC000283419052 175100968 /nfs/dbraw/zinc/10/09/68/175100968.db2.gz FSSRGCCZKGTCIV-NWDGAFQWSA-N 1 2 249.314 1.239 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)nn1 ZINC000283180570 175101773 /nfs/dbraw/zinc/10/17/73/175101773.db2.gz QBVJQCFCHNXCLQ-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)nn1 ZINC000283180570 175101776 /nfs/dbraw/zinc/10/17/76/175101776.db2.gz QBVJQCFCHNXCLQ-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)nc1 ZINC000336262561 175102617 /nfs/dbraw/zinc/10/26/17/175102617.db2.gz AVOUJYLQSRCBMI-SECBINFHSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)nc1 ZINC000336262561 175102620 /nfs/dbraw/zinc/10/26/20/175102620.db2.gz AVOUJYLQSRCBMI-SECBINFHSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)cc1OC ZINC000237252191 175108508 /nfs/dbraw/zinc/10/85/08/175108508.db2.gz HVHCZHJXYSUYQO-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO COc1ccc(NCc2c[nH+]cn2C)cn1 ZINC000085167648 175152298 /nfs/dbraw/zinc/15/22/98/175152298.db2.gz NNXKDGBZVVJRRT-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282168204 175256544 /nfs/dbraw/zinc/25/65/44/175256544.db2.gz MCFIYWSBOHBUCR-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282168204 175256546 /nfs/dbraw/zinc/25/65/46/175256546.db2.gz MCFIYWSBOHBUCR-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(CNc2ccc(CO)c[nH+]2)n1 ZINC000356294575 175269287 /nfs/dbraw/zinc/26/92/87/175269287.db2.gz AEIBAXXGKWLZST-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO COc1cccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368336988 175283477 /nfs/dbraw/zinc/28/34/77/175283477.db2.gz RWNLWUPWDVZGSW-UONOGXRCSA-N 1 2 249.310 1.547 20 0 BDADLO COc1cccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368336988 175283478 /nfs/dbraw/zinc/28/34/78/175283478.db2.gz RWNLWUPWDVZGSW-UONOGXRCSA-N 1 2 249.310 1.547 20 0 BDADLO COc1ccccc1-c1noc([C@H]([NH3+])[C@@H](C)O)n1 ZINC000035660820 175311664 /nfs/dbraw/zinc/31/16/64/175311664.db2.gz ZFVRCNYKLSWAFJ-GMSGAONNSA-N 1 2 249.270 1.126 20 0 BDADLO COc1ccnc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000330643562 175357845 /nfs/dbraw/zinc/35/78/45/175357845.db2.gz HBZUOYVUBVCVRV-NSHDSACASA-N 1 2 235.287 1.590 20 0 BDADLO COc1ccnc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000330643562 175357848 /nfs/dbraw/zinc/35/78/48/175357848.db2.gz HBZUOYVUBVCVRV-NSHDSACASA-N 1 2 235.287 1.590 20 0 BDADLO COc1cc[nH+]c(CN2CCC[C@H]2C(N)=O)c1 ZINC000330643562 175357850 /nfs/dbraw/zinc/35/78/50/175357850.db2.gz HBZUOYVUBVCVRV-NSHDSACASA-N 1 2 235.287 1.590 20 0 BDADLO COc1cc[nH+]c(CN2CCC(=O)[C@H](C)C2)c1 ZINC000283342525 175357858 /nfs/dbraw/zinc/35/78/58/175357858.db2.gz ZUNCVBVJFCQVIP-SNVBAGLBSA-N 1 2 234.299 1.501 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cc(C)on1 ZINC000293473726 175372500 /nfs/dbraw/zinc/37/25/00/175372500.db2.gz WSZXRNRKTHNMIO-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H](C)C(C)C ZINC000293287246 175372573 /nfs/dbraw/zinc/37/25/73/175372573.db2.gz HIEAJIHVPLBXGV-SNVBAGLBSA-N 1 2 236.315 1.999 20 0 BDADLO COc1cc[nH+]cc1NC(=O)COCC1CC1 ZINC000299472912 175374380 /nfs/dbraw/zinc/37/43/80/175374380.db2.gz HRBJLUHGLRYGSU-UHFFFAOYSA-N 1 2 236.271 1.455 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)n1cccn1 ZINC000299493597 175375048 /nfs/dbraw/zinc/37/50/48/175375048.db2.gz OJWYMOIPKSFXSG-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CSC ZINC000072051318 175375249 /nfs/dbraw/zinc/37/52/49/175375249.db2.gz CLKCISOJHWQYCD-UHFFFAOYSA-N 1 2 212.274 1.392 20 0 BDADLO COc1cc[nH+]cc1NC(=O)COC(C)(C)C ZINC000182669578 175375354 /nfs/dbraw/zinc/37/53/54/175375354.db2.gz YAPKRWGGHSFETA-UHFFFAOYSA-N 1 2 238.287 1.844 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCOC1 ZINC000131493804 175375526 /nfs/dbraw/zinc/37/55/26/175375526.db2.gz HVHSFYHIVBIEAJ-QMMMGPOBSA-N 1 2 222.244 1.065 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000336263248 175385027 /nfs/dbraw/zinc/38/50/27/175385027.db2.gz ZSSJFRWQKJCOMP-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000336263248 175385028 /nfs/dbraw/zinc/38/50/28/175385028.db2.gz ZSSJFRWQKJCOMP-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COC[C@@H](C)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000668840549 487631701 /nfs/dbraw/zinc/63/17/01/487631701.db2.gz GRAGCVHXUGTYOQ-JTQLQIEISA-N 1 2 223.320 1.440 20 0 BDADLO COC[C@@H](C)C[N@H+]1CCCc2[nH]ncc2C1 ZINC000668840549 487631704 /nfs/dbraw/zinc/63/17/04/487631704.db2.gz GRAGCVHXUGTYOQ-JTQLQIEISA-N 1 2 223.320 1.440 20 0 BDADLO C[C@@H](O)C[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276508262 175989556 /nfs/dbraw/zinc/98/95/56/175989556.db2.gz AUYQKXQILDKWHQ-DJVCXFJCSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000355099991 176011528 /nfs/dbraw/zinc/01/15/28/176011528.db2.gz AWRQAROUAGNWFK-MNOVXSKESA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H](c1ccc(F)cc1F)[N@H+](C)CC(N)=O ZINC000049236950 176016155 /nfs/dbraw/zinc/01/61/55/176016155.db2.gz KRKSXCCLXYHWCT-ZETCQYMHSA-N 1 2 228.242 1.443 20 0 BDADLO C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(N)=O ZINC000049236950 176016158 /nfs/dbraw/zinc/01/61/58/176016158.db2.gz KRKSXCCLXYHWCT-ZETCQYMHSA-N 1 2 228.242 1.443 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCN(C)C(=O)C1 ZINC000119249401 176017635 /nfs/dbraw/zinc/01/76/35/176017635.db2.gz QFXBVTFHHAVXEG-JTQLQIEISA-N 1 2 236.290 1.661 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCN(C)C(=O)C1 ZINC000119249401 176017637 /nfs/dbraw/zinc/01/76/37/176017637.db2.gz QFXBVTFHHAVXEG-JTQLQIEISA-N 1 2 236.290 1.661 20 0 BDADLO C[C@@H](c1ccccc1)[NH+]1CCS(=O)CC1 ZINC000112600056 176021862 /nfs/dbraw/zinc/02/18/62/176021862.db2.gz VSZUQKISZHRFRQ-NSHDSACASA-N 1 2 223.341 1.812 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CCC1 ZINC000271093727 176026133 /nfs/dbraw/zinc/02/61/33/176026133.db2.gz XRXFESZZSQDAGD-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCC1 ZINC000271093727 176026134 /nfs/dbraw/zinc/02/61/34/176026134.db2.gz XRXFESZZSQDAGD-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282208109 176028954 /nfs/dbraw/zinc/02/89/54/176028954.db2.gz OGDFILVPBDJAMA-QWRGUYRKSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282208109 176028956 /nfs/dbraw/zinc/02/89/56/176028956.db2.gz OGDFILVPBDJAMA-QWRGUYRKSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCC(N)=O ZINC000331747631 176038308 /nfs/dbraw/zinc/03/83/08/176038308.db2.gz DUMYOAHOPKPZIZ-ZETCQYMHSA-N 1 2 238.291 1.865 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCC(N)=O ZINC000331747631 176038309 /nfs/dbraw/zinc/03/83/09/176038309.db2.gz DUMYOAHOPKPZIZ-ZETCQYMHSA-N 1 2 238.291 1.865 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCSC(C)(C)C1 ZINC000334146093 176040698 /nfs/dbraw/zinc/04/06/98/176040698.db2.gz OLRXZBIYQUMKNI-VIFPVBQESA-N 1 2 240.376 1.704 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCSC(C)(C)C1 ZINC000334146093 176040700 /nfs/dbraw/zinc/04/07/00/176040700.db2.gz OLRXZBIYQUMKNI-VIFPVBQESA-N 1 2 240.376 1.704 20 0 BDADLO C[C@@H]1C(=O)N(C)CCN1c1[nH]c2ccccc2[nH+]1 ZINC000302489730 176043257 /nfs/dbraw/zinc/04/32/57/176043257.db2.gz ZFJRMQRFGVTSIY-SECBINFHSA-N 1 2 244.298 1.230 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1 ZINC000106934012 176046828 /nfs/dbraw/zinc/04/68/28/176046828.db2.gz HEUZXAORNVEWFT-FZKGZDJFSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1 ZINC000106934012 176046830 /nfs/dbraw/zinc/04/68/30/176046830.db2.gz HEUZXAORNVEWFT-FZKGZDJFSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1 ZINC000123531332 176046889 /nfs/dbraw/zinc/04/68/89/176046889.db2.gz UPJCTXQHPGLTJQ-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000123531332 176046890 /nfs/dbraw/zinc/04/68/90/176046890.db2.gz UPJCTXQHPGLTJQ-MRVPVSSYSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCc2[nH+]ccn2C)C1 ZINC000267852909 176057251 /nfs/dbraw/zinc/05/72/51/176057251.db2.gz LURXYYYEPCTUPA-MXBGMFSPSA-N 1 2 233.315 1.783 20 0 BDADLO C[C@@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000174037088 176105525 /nfs/dbraw/zinc/10/55/25/176105525.db2.gz WDFVXMDQCKJLBL-SNVBAGLBSA-N 1 2 222.292 1.077 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291015187 176149127 /nfs/dbraw/zinc/14/91/27/176149127.db2.gz NMAYNTLZMSQLAR-ZYHUDNBSSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@@H]1CCN(C(=O)C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000279235525 176153655 /nfs/dbraw/zinc/15/36/55/176153655.db2.gz RWDMKZVYNASWJK-RKDXNWHRSA-N 1 2 243.257 1.558 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(S(C)(=O)=O)o2)C1 ZINC000336281736 176176217 /nfs/dbraw/zinc/17/62/17/176176217.db2.gz NJIAXRHQYCJGRP-SECBINFHSA-N 1 2 243.328 1.525 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(S(C)(=O)=O)o2)C1 ZINC000336281736 176176218 /nfs/dbraw/zinc/17/62/18/176176218.db2.gz NJIAXRHQYCJGRP-SECBINFHSA-N 1 2 243.328 1.525 20 0 BDADLO C[C@@H]1CCN(c2cccc[nH+]2)CC[S@]1=O ZINC000276968097 176181459 /nfs/dbraw/zinc/18/14/59/176181459.db2.gz DKCWRQNYRFSTLO-MEBBXXQBSA-N 1 2 224.329 1.429 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000362045196 176189964 /nfs/dbraw/zinc/18/99/64/176189964.db2.gz KSOXFYXTYHESIM-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000362045196 176189965 /nfs/dbraw/zinc/18/99/65/176189965.db2.gz KSOXFYXTYHESIM-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000237380328 176201715 /nfs/dbraw/zinc/20/17/15/176201715.db2.gz IBXCRIGKWOXPDO-KOLCDFICSA-N 1 2 249.314 1.950 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CCO1 ZINC000334139682 176303139 /nfs/dbraw/zinc/30/31/39/176303139.db2.gz ANSXEUVGPBMQOM-SNVBAGLBSA-N 1 2 247.298 1.890 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CCO1 ZINC000334139682 176303141 /nfs/dbraw/zinc/30/31/41/176303141.db2.gz ANSXEUVGPBMQOM-SNVBAGLBSA-N 1 2 247.298 1.890 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2F)CC(=O)N1C ZINC000282401198 176307011 /nfs/dbraw/zinc/30/70/11/176307011.db2.gz XWZMPLUXXCAJOX-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2F)CC(=O)N1C ZINC000282401198 176307013 /nfs/dbraw/zinc/30/70/13/176307013.db2.gz XWZMPLUXXCAJOX-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2)CC[S@@](=O)C1 ZINC000277555192 176307181 /nfs/dbraw/zinc/30/71/81/176307181.db2.gz RHFZRNJMRYVVLE-BDJLRTHQSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2)CC[S@@](=O)C1 ZINC000277555192 176307183 /nfs/dbraw/zinc/30/71/83/176307183.db2.gz RHFZRNJMRYVVLE-BDJLRTHQSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2)CC[S@](=O)C1 ZINC000277555195 176307522 /nfs/dbraw/zinc/30/75/22/176307522.db2.gz RHFZRNJMRYVVLE-BZNIZROVSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2)CC[S@](=O)C1 ZINC000277555195 176307523 /nfs/dbraw/zinc/30/75/23/176307523.db2.gz RHFZRNJMRYVVLE-BZNIZROVSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCCC[C@H]12 ZINC000331516714 176312733 /nfs/dbraw/zinc/31/27/33/176312733.db2.gz DKDSFAKXFYRMFU-BBBLOLIVSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@H]2CCCC[C@H]12 ZINC000331516714 176312734 /nfs/dbraw/zinc/31/27/34/176312734.db2.gz DKDSFAKXFYRMFU-BBBLOLIVSA-N 1 2 236.319 1.521 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000294481106 176337668 /nfs/dbraw/zinc/33/76/68/176337668.db2.gz ANWXLAVDIVPYOM-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000294481106 176337671 /nfs/dbraw/zinc/33/76/71/176337671.db2.gz ANWXLAVDIVPYOM-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1cc(=O)c(O)co1 ZINC000265676201 176350967 /nfs/dbraw/zinc/35/09/67/176350967.db2.gz YGIYYQSKWUYBCR-MRVPVSSYSA-N 1 2 241.312 1.283 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC000265676201 176350968 /nfs/dbraw/zinc/35/09/68/176350968.db2.gz YGIYYQSKWUYBCR-MRVPVSSYSA-N 1 2 241.312 1.283 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000276710424 176359632 /nfs/dbraw/zinc/35/96/32/176359632.db2.gz RDBJJPKUAVEDGF-VXGBXAGGSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336690413 176363700 /nfs/dbraw/zinc/36/37/00/176363700.db2.gz AWORITVOSAVJCK-RKDXNWHRSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336690413 176363701 /nfs/dbraw/zinc/36/37/01/176363701.db2.gz AWORITVOSAVJCK-RKDXNWHRSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000337491055 176366067 /nfs/dbraw/zinc/36/60/67/176366067.db2.gz NNQVVGCTXNGDRK-FXPVBKGRSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC2(C)C)c2[nH+]ccn21 ZINC000333833691 176373485 /nfs/dbraw/zinc/37/34/85/176373485.db2.gz LYYACIWNMQDGCQ-OPRDCNLKSA-N 1 2 248.330 1.987 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000355942057 176390507 /nfs/dbraw/zinc/39/05/07/176390507.db2.gz SWBWQOXVUCRDKG-MXWKQRLJSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CC1=CCCOC1 ZINC000353800499 176491972 /nfs/dbraw/zinc/49/19/72/176491972.db2.gz BPCZUWVIXUDHMX-GLKRBJQHSA-N 1 2 243.372 1.174 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CC1=CCCOC1 ZINC000353800499 176491973 /nfs/dbraw/zinc/49/19/73/176491973.db2.gz BPCZUWVIXUDHMX-GLKRBJQHSA-N 1 2 243.372 1.174 20 0 BDADLO C[C@@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282825032 176540638 /nfs/dbraw/zinc/54/06/38/176540638.db2.gz QGTBPCQIDPKCQU-ITDFMYJTSA-N 1 2 249.314 1.186 20 0 BDADLO C[C@@H](SCc1[nH+]ccn1C)[C@H](C)O ZINC000079039898 177006344 /nfs/dbraw/zinc/00/63/44/177006344.db2.gz LDFARGZHFNWJOE-JGVFFNPUSA-N 1 2 200.307 1.423 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000330503996 177046686 /nfs/dbraw/zinc/04/66/86/177046686.db2.gz GMLLVURYUOYPDB-KOLCDFICSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000330503996 177046687 /nfs/dbraw/zinc/04/66/87/177046687.db2.gz GMLLVURYUOYPDB-KOLCDFICSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCC(N)=O ZINC000331747630 177053075 /nfs/dbraw/zinc/05/30/75/177053075.db2.gz DUMYOAHOPKPZIZ-SSDOTTSWSA-N 1 2 238.291 1.865 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCC(N)=O ZINC000331747630 177053076 /nfs/dbraw/zinc/05/30/76/177053076.db2.gz DUMYOAHOPKPZIZ-SSDOTTSWSA-N 1 2 238.291 1.865 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+](C)Cc1cccs1 ZINC000276387366 177055648 /nfs/dbraw/zinc/05/56/48/177055648.db2.gz ZJCOMKKKSYUXDD-MRVPVSSYSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+](C)Cc1cccs1 ZINC000276387366 177055650 /nfs/dbraw/zinc/05/56/50/177055650.db2.gz ZJCOMKKKSYUXDD-MRVPVSSYSA-N 1 2 237.332 1.465 20 0 BDADLO C[C@H](c1noc([C@@H]2C[N@H+](C)CCO2)n1)C1CC1 ZINC000333637754 177056422 /nfs/dbraw/zinc/05/64/22/177056422.db2.gz BREPKFKHYOATMN-WPRPVWTQSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@H](c1noc([C@@H]2C[N@@H+](C)CCO2)n1)C1CC1 ZINC000333637754 177056425 /nfs/dbraw/zinc/05/64/25/177056425.db2.gz BREPKFKHYOATMN-WPRPVWTQSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000280124629 177056769 /nfs/dbraw/zinc/05/67/69/177056769.db2.gz CRWSZHGAKITGIW-MNOVXSKESA-N 1 2 249.314 1.005 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000336259462 177072513 /nfs/dbraw/zinc/07/25/13/177072513.db2.gz CTSGUBNGVGUTFL-QWRGUYRKSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000336259462 177072516 /nfs/dbraw/zinc/07/25/16/177072516.db2.gz CTSGUBNGVGUTFL-QWRGUYRKSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000266516939 177106109 /nfs/dbraw/zinc/10/61/09/177106109.db2.gz YZOQHHDPSCXKHT-JTQLQIEISA-N 1 2 207.277 1.284 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000360568101 177124092 /nfs/dbraw/zinc/12/40/92/177124092.db2.gz JJRUTZBYYGEDFP-WDEREUQCSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283625867 177140448 /nfs/dbraw/zinc/14/04/48/177140448.db2.gz BBNJXMPSWSGYDN-DNGSPIRNSA-N 1 2 219.288 1.728 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000264249628 177141247 /nfs/dbraw/zinc/14/12/47/177141247.db2.gz BFHZSHSTZIXTJL-VHSXEESVSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@H]1CC[N@H+](C[C@@H]2COCCO2)CC1(F)F ZINC000336264169 177162427 /nfs/dbraw/zinc/16/24/27/177162427.db2.gz UEKQSXRWEXOJIC-VHSXEESVSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1CC[N@@H+](C[C@@H]2COCCO2)CC1(F)F ZINC000336264169 177162428 /nfs/dbraw/zinc/16/24/28/177162428.db2.gz UEKQSXRWEXOJIC-VHSXEESVSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H]1CO ZINC000248885731 177171741 /nfs/dbraw/zinc/17/17/41/177171741.db2.gz DXVNDNPPYFRQAP-CABZTGNLSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1CC(=O)c1cccn1C ZINC000367741335 177178107 /nfs/dbraw/zinc/17/81/07/177178107.db2.gz QULYFBMNYUKVAP-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1CCOCC[N@H+]1CC(=O)c1cccn1C ZINC000367741335 177178108 /nfs/dbraw/zinc/17/81/08/177178108.db2.gz QULYFBMNYUKVAP-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336386652 177181404 /nfs/dbraw/zinc/18/14/04/177181404.db2.gz OQOXHVAHXBTJDR-WDEREUQCSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483499 177188964 /nfs/dbraw/zinc/18/89/64/177188964.db2.gz WNMMANOAPNQVCZ-QWRGUYRKSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483499 177188967 /nfs/dbraw/zinc/18/89/67/177188967.db2.gz WNMMANOAPNQVCZ-QWRGUYRKSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H]1CC[C@@H](CN2CCc3c([nH+]cn3C)C2)O1 ZINC000375483499 177188968 /nfs/dbraw/zinc/18/89/68/177188968.db2.gz WNMMANOAPNQVCZ-QWRGUYRKSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000357980421 177201986 /nfs/dbraw/zinc/20/19/86/177201986.db2.gz AAXFUWRWNVCBEC-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)CO1 ZINC000276538754 177211133 /nfs/dbraw/zinc/21/11/33/177211133.db2.gz FVDSWRIKSZAULG-OHINUGQQSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)[C@H]1C ZINC000297338665 177220560 /nfs/dbraw/zinc/22/05/60/177220560.db2.gz IMBJEZAGTUGMJG-QWRGUYRKSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000170863419 177227293 /nfs/dbraw/zinc/22/72/93/177227293.db2.gz MKIZWGJQNZQNGA-JTQLQIEISA-N 1 2 245.282 1.195 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2)[C@@H](C)CN1C ZINC000336492417 177238434 /nfs/dbraw/zinc/23/84/34/177238434.db2.gz CFYDQTPRJWANSW-NEPJUHHUSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2)[C@@H](C)CN1C ZINC000336492417 177238437 /nfs/dbraw/zinc/23/84/37/177238437.db2.gz CFYDQTPRJWANSW-NEPJUHHUSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccon2)CC(C)(C)O1 ZINC000122942828 177267383 /nfs/dbraw/zinc/26/73/83/177267383.db2.gz NDRPGAFRRLRQGG-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccon2)CC(C)(C)O1 ZINC000122942828 177267385 /nfs/dbraw/zinc/26/73/85/177267385.db2.gz NDRPGAFRRLRQGG-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2)CC[S@@](=O)C1 ZINC000277497723 177267792 /nfs/dbraw/zinc/26/77/92/177267792.db2.gz NSJGYKRRDREATD-MEDUHNTESA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2)CC[S@@](=O)C1 ZINC000277497723 177267794 /nfs/dbraw/zinc/26/77/94/177267794.db2.gz NSJGYKRRDREATD-MEDUHNTESA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccon2)C[C@]2(CCOC2)O1 ZINC000280485905 177267800 /nfs/dbraw/zinc/26/78/00/177267800.db2.gz LWIMBCMQCMHGAK-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccon2)C[C@]2(CCOC2)O1 ZINC000280485905 177267802 /nfs/dbraw/zinc/26/78/02/177267802.db2.gz LWIMBCMQCMHGAK-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2N)C[C@H](C)O1 ZINC000052709829 177267929 /nfs/dbraw/zinc/26/79/29/177267929.db2.gz USVZWGUKUQQLFL-AOOOYVTPSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2N)C[C@H](C)O1 ZINC000052709829 177267930 /nfs/dbraw/zinc/26/79/30/177267930.db2.gz USVZWGUKUQQLFL-AOOOYVTPSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H](C)O1 ZINC000274334643 177269092 /nfs/dbraw/zinc/26/90/92/177269092.db2.gz GTLZEVKFKHCMBW-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H](C)O1 ZINC000274334643 177269093 /nfs/dbraw/zinc/26/90/93/177269093.db2.gz GTLZEVKFKHCMBW-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[NH+](Cc2csnn2)C[C@H](C)S1 ZINC000120521141 177270261 /nfs/dbraw/zinc/27/02/61/177270261.db2.gz CKKKFNCZDWGELY-YUMQZZPRSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000360134718 177271343 /nfs/dbraw/zinc/27/13/43/177271343.db2.gz XQZIPBUNWSYDFF-NKWVEPMBSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000360134718 177271345 /nfs/dbraw/zinc/27/13/45/177271345.db2.gz XQZIPBUNWSYDFF-NKWVEPMBSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccc(N)n2)CCC1(F)F ZINC000289931657 177271939 /nfs/dbraw/zinc/27/19/39/177271939.db2.gz UXESDYYBOPOMQU-QMMMGPOBSA-N 1 2 242.273 1.536 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccc(N)n2)CCC1(F)F ZINC000289931657 177271941 /nfs/dbraw/zinc/27/19/41/177271941.db2.gz UXESDYYBOPOMQU-QMMMGPOBSA-N 1 2 242.273 1.536 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1CO ZINC000357672995 177277062 /nfs/dbraw/zinc/27/70/62/177277062.db2.gz KCYGUBJKBDEHTD-WDEREUQCSA-N 1 2 243.310 1.694 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(=O)N1C ZINC000283679845 177278071 /nfs/dbraw/zinc/27/80/71/177278071.db2.gz ZCJHZGLFHGUEQW-VIFPVBQESA-N 1 2 244.298 1.230 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(F)cn2)[C@@H](C)CO1 ZINC000276364105 177301664 /nfs/dbraw/zinc/30/16/64/177301664.db2.gz MVJZHMXGLSRYTP-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)[C@@H](C)CO1 ZINC000276364105 177301665 /nfs/dbraw/zinc/30/16/65/177301665.db2.gz MVJZHMXGLSRYTP-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000337491066 177320956 /nfs/dbraw/zinc/32/09/56/177320956.db2.gz NNQVVGCTXNGDRK-NGZCFLSTSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@H]1C[C@@H](C[N@H+](CCO)CC(F)F)CCO1 ZINC000355488492 177323351 /nfs/dbraw/zinc/32/33/51/177323351.db2.gz UVPMLQMTJVNEKL-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H]1C[C@@H](C[N@@H+](CCO)CC(F)F)CCO1 ZINC000355488492 177323352 /nfs/dbraw/zinc/32/33/52/177323352.db2.gz UVPMLQMTJVNEKL-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CCCC1 ZINC000087313599 487637991 /nfs/dbraw/zinc/63/79/91/487637991.db2.gz WRCBZSWSXPGZNM-UHFFFAOYSA-N 1 2 222.292 1.494 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[C@@H]1C ZINC000298581860 177344240 /nfs/dbraw/zinc/34/42/40/177344240.db2.gz MTCFTGROTWZDSN-HBNTYKKESA-N 1 2 236.319 1.227 20 0 BDADLO C[C@H]1C[C@@H]1CNc1[nH+]cnc(-n2cccn2)c1N ZINC000277047357 177345476 /nfs/dbraw/zinc/34/54/76/177345476.db2.gz GNVOWRMAJIASSO-DTWKUNHWSA-N 1 2 244.302 1.312 20 0 BDADLO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000263953109 177346954 /nfs/dbraw/zinc/34/69/54/177346954.db2.gz YKJPKNCUVOEQJW-ONGXEEELSA-N 1 2 248.330 1.355 20 0 BDADLO C[C@H]1C[C@H](C(=O)NCCNc2cccc[nH+]2)CO1 ZINC000331309398 177354504 /nfs/dbraw/zinc/35/45/04/177354504.db2.gz UGXIFVVWHUFULE-QWRGUYRKSA-N 1 2 249.314 1.035 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284496727 177367305 /nfs/dbraw/zinc/36/73/05/177367305.db2.gz URLXSMYMYXZGFP-MDCNRGEUSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276567191 177379390 /nfs/dbraw/zinc/37/93/90/177379390.db2.gz JYGODWSJXVIEIM-JKRGSOBMSA-N 1 2 205.261 1.195 20 0 BDADLO C[C@H]1C[C@H]1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278504659 177382721 /nfs/dbraw/zinc/38/27/21/177382721.db2.gz XSDAOEQDTLOYMF-BQBZGAKWSA-N 1 2 232.291 1.013 20 0 BDADLO C[C@H]1OCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1C ZINC000284503229 177398488 /nfs/dbraw/zinc/39/84/88/177398488.db2.gz VCITZGDXHLLNEK-HIHHVFROSA-N 1 2 235.287 1.059 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)C1 ZINC000278646845 177527006 /nfs/dbraw/zinc/52/70/06/177527006.db2.gz OIDZGLQOQIJINS-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO CC[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000674881617 487641750 /nfs/dbraw/zinc/64/17/50/487641750.db2.gz WINJCHHWXAQJIP-NSHDSACASA-N 1 2 243.314 1.899 20 0 BDADLO Cc1nc(N2CCC3(CCOC3)CC2)cc[nH+]1 ZINC000672274309 487643168 /nfs/dbraw/zinc/64/31/68/487643168.db2.gz CZHGFNGLFWOPST-UHFFFAOYSA-N 1 2 233.315 1.792 20 0 BDADLO FC(F)Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000488153888 225352515 /nfs/dbraw/zinc/35/25/15/225352515.db2.gz TUFHJGLVWZBWFR-DTWKUNHWSA-N 1 2 242.273 1.528 20 0 BDADLO FC(F)Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000488153888 225352519 /nfs/dbraw/zinc/35/25/19/225352519.db2.gz TUFHJGLVWZBWFR-DTWKUNHWSA-N 1 2 242.273 1.528 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@H](O)C2(C)C)[nH+]1 ZINC000489903318 225494985 /nfs/dbraw/zinc/49/49/85/225494985.db2.gz YIUOHWAQEQLSQA-UWVGGRQHSA-N 1 2 246.314 1.838 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1ccoc1 ZINC000087290227 322933443 /nfs/dbraw/zinc/93/34/43/322933443.db2.gz VILLFEYZKLMUIO-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO O=C(/C=C\c1cccc(O)c1)NCc1[nH]cc[nH+]1 ZINC000492520147 226012948 /nfs/dbraw/zinc/01/29/48/226012948.db2.gz HYFSFDVZJBMCTQ-PLNGDYQASA-N 1 2 243.266 1.445 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C\C(C)(C)C ZINC000492527737 226013861 /nfs/dbraw/zinc/01/38/61/226013861.db2.gz BYYKSMLSJKPJAO-ALCCZGGFSA-N 1 2 235.331 1.681 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000225829439 487648277 /nfs/dbraw/zinc/64/82/77/487648277.db2.gz UNDVNFPTQAFDEZ-CYBMUJFWSA-N 1 2 248.326 1.569 20 0 BDADLO C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000225829439 487648284 /nfs/dbraw/zinc/64/82/84/487648284.db2.gz UNDVNFPTQAFDEZ-CYBMUJFWSA-N 1 2 248.326 1.569 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(CO)CCCC1 ZINC000492765261 226048736 /nfs/dbraw/zinc/04/87/36/226048736.db2.gz LOWYCQLQCVGEPM-ONEGZZNKSA-N 1 2 249.314 1.092 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492773014 226050939 /nfs/dbraw/zinc/05/09/39/226050939.db2.gz UGCLDMUUNYRWED-LDYOUVJNSA-N 1 2 219.288 1.537 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@@H]21 ZINC000492814171 226059167 /nfs/dbraw/zinc/05/91/67/226059167.db2.gz SVPXRDYYHXXAKW-WOMWGJRJSA-N 1 2 217.272 1.434 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccon1 ZINC000492856253 226067426 /nfs/dbraw/zinc/06/74/26/226067426.db2.gz BJKMUVNCBZBECH-SGJFDWMWSA-N 1 2 232.243 1.288 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCC[C@H]1O ZINC000492899358 226078219 /nfs/dbraw/zinc/07/82/19/226078219.db2.gz MADYCVUQRBOUCN-BYAJROORSA-N 1 2 249.314 1.185 20 0 BDADLO COCCC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492983726 226097131 /nfs/dbraw/zinc/09/71/31/226097131.db2.gz JQTAWYHEFVLDCY-ARJAWSKDSA-N 1 2 249.314 1.308 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493056913 226113540 /nfs/dbraw/zinc/11/35/40/226113540.db2.gz UMOVBNVUHZWHKB-SSJHQANKSA-N 1 2 221.304 1.974 20 0 BDADLO C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000493106197 226128384 /nfs/dbraw/zinc/12/83/84/226128384.db2.gz NHCYMWJBCFWACG-YEZKRMTDSA-N 1 2 249.314 1.449 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCCC1 ZINC000493124409 226133724 /nfs/dbraw/zinc/13/37/24/226133724.db2.gz FBFPVEBQUHSQGJ-PLNGDYQASA-N 1 2 205.261 1.435 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(F)c1 ZINC000493172390 226145048 /nfs/dbraw/zinc/14/50/48/226145048.db2.gz QKZNVSSTNJJTAA-PLNGDYQASA-N 1 2 245.257 1.878 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCSC1 ZINC000493193900 226151128 /nfs/dbraw/zinc/15/11/28/226151128.db2.gz TUPNUHJOPWYTIT-GPYPMJJRSA-N 1 2 237.328 1.292 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493199966 226153457 /nfs/dbraw/zinc/15/34/57/226153457.db2.gz DNGYYZHATKZTAQ-BXXZLRJFSA-N 1 2 249.314 1.042 20 0 BDADLO COC1([C@@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493255142 226168088 /nfs/dbraw/zinc/16/80/88/226168088.db2.gz MZFZKJKKNLWXHS-ORAHPGNNSA-N 1 2 249.314 1.497 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000493469823 226225711 /nfs/dbraw/zinc/22/57/11/226225711.db2.gz YBMMZZLCYQYRHI-XKFHPXPTSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1COCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493519577 226238490 /nfs/dbraw/zinc/23/84/90/226238490.db2.gz JIWSUJUXMVGPEL-WUNPDAOYSA-N 1 2 249.314 1.212 20 0 BDADLO COCC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493731074 226251649 /nfs/dbraw/zinc/25/16/49/226251649.db2.gz ZIYORHHEGOTGIE-NSCUHMNNSA-N 1 2 249.314 1.308 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCS1 ZINC000493744961 226252147 /nfs/dbraw/zinc/25/21/47/226252147.db2.gz ICCLVHSQPNPVMB-XADBCAIWSA-N 1 2 237.328 1.387 20 0 BDADLO Cn1ccc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000493815645 226255333 /nfs/dbraw/zinc/25/53/33/226255333.db2.gz FVFQJLLLMLOIKH-IHWYPQMZSA-N 1 2 244.298 1.120 20 0 BDADLO CN(C(=O)NCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000494201011 226262043 /nfs/dbraw/zinc/26/20/43/226262043.db2.gz IYDDWFNKLJLWAY-JTQLQIEISA-N 1 2 236.319 1.323 20 0 BDADLO COC1C[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496123939 226297214 /nfs/dbraw/zinc/29/72/14/226297214.db2.gz XHKUKHDRGVIEOA-UHFFFAOYSA-N 1 2 244.335 1.232 20 0 BDADLO Cc1cncc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000680828990 487654457 /nfs/dbraw/zinc/65/44/57/487654457.db2.gz TUUMRTRTRQHQTO-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO OCCCOC1CC[NH+](CC(F)F)CC1 ZINC000674912945 487654071 /nfs/dbraw/zinc/65/40/71/487654071.db2.gz QKDFDALPCZXGPV-UHFFFAOYSA-N 1 2 223.263 1.115 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000471813728 533682605 /nfs/dbraw/zinc/68/26/05/533682605.db2.gz XEEBVKKOZOZMLE-VXNVDRBHSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000471813728 533682613 /nfs/dbraw/zinc/68/26/13/533682613.db2.gz XEEBVKKOZOZMLE-VXNVDRBHSA-N 1 2 231.246 1.233 20 0 BDADLO CCOCCN(CC)c1cc(CO)cc[nH+]1 ZINC000082537516 487664466 /nfs/dbraw/zinc/66/44/66/487664466.db2.gz ZGWCLRYIJOPRAS-UHFFFAOYSA-N 1 2 224.304 1.437 20 0 BDADLO COc1cc(C)ccc1C[NH2+]Cc1cn(C)nn1 ZINC000675101649 487668629 /nfs/dbraw/zinc/66/86/29/487668629.db2.gz ZENDXYYVTPGNMU-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@@H](C)C(F)F ZINC000228519890 487670778 /nfs/dbraw/zinc/67/07/78/487670778.db2.gz SAUURJUUOWSFME-ZETCQYMHSA-N 1 2 217.263 1.726 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H](CO)C2)cc[nH+]1 ZINC000398639140 262765010 /nfs/dbraw/zinc/76/50/10/262765010.db2.gz VVCQVEROWVPTNA-ONGXEEELSA-N 1 2 221.304 1.240 20 0 BDADLO CCC[C@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000669693622 487683161 /nfs/dbraw/zinc/68/31/61/487683161.db2.gz BFFHKZXRJSBFJP-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000669693622 487683166 /nfs/dbraw/zinc/68/31/66/487683166.db2.gz BFFHKZXRJSBFJP-IUCAKERBSA-N 1 2 207.264 1.877 20 0 BDADLO CCOC1CC(CN2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000671685274 487690276 /nfs/dbraw/zinc/69/02/76/487690276.db2.gz KQBZQHWTCSVHIA-IYXRBSQSSA-N 1 2 240.391 1.828 20 0 BDADLO CCOC1CC(CN2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000671685274 487690268 /nfs/dbraw/zinc/69/02/68/487690268.db2.gz KQBZQHWTCSVHIA-IYXRBSQSSA-N 1 2 240.391 1.828 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)nc1C ZINC000336283778 487697853 /nfs/dbraw/zinc/69/78/53/487697853.db2.gz WZVZPDIVQDWJSK-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCc1nc(N2C[C@H](O)CC[C@H]2C)cc(C)[nH+]1 ZINC000399342621 262782472 /nfs/dbraw/zinc/78/24/72/262782472.db2.gz UKGHDEHLVFHKDM-GHMZBOCLSA-N 1 2 235.331 1.697 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnnn1CC)c1ccn(C)n1 ZINC000527920041 262895302 /nfs/dbraw/zinc/89/53/02/262895302.db2.gz LBJNSNATHZJDHM-LLVKDONJSA-N 1 2 248.334 1.272 20 0 BDADLO Cc1cccn2cc(CC(=O)NCC(C)C)[nH+]c12 ZINC000041287548 262921423 /nfs/dbraw/zinc/92/14/23/262921423.db2.gz KQUZKSDPOCFREG-UHFFFAOYSA-N 1 2 245.326 1.957 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000528412500 262945384 /nfs/dbraw/zinc/94/53/84/262945384.db2.gz WNSNAEUGXOFXDW-UWJYBYFXSA-N 1 2 233.315 1.328 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1c[nH+]c[nH]1 ZINC000671711681 487701822 /nfs/dbraw/zinc/70/18/22/487701822.db2.gz IHMALFCSLQSTCG-IONNQARKSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1c[nH]c[nH+]1 ZINC000671711681 487701825 /nfs/dbraw/zinc/70/18/25/487701825.db2.gz IHMALFCSLQSTCG-IONNQARKSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(F)F ZINC000671719641 487707436 /nfs/dbraw/zinc/70/74/36/487707436.db2.gz PLGBTUILHGAZFL-VHSXEESVSA-N 1 2 234.290 1.047 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CC12CCC2 ZINC000675329715 487708317 /nfs/dbraw/zinc/70/83/17/487708317.db2.gz CVIQKRVHRNLWTR-GFCCVEGCSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC23CCC3)cc[nH+]1 ZINC000675331385 487708731 /nfs/dbraw/zinc/70/87/31/487708731.db2.gz RVVUPDAHMGHAJJ-LLVKDONJSA-N 1 2 216.284 1.941 20 0 BDADLO COC[C@H](NCc1cn(C)c[nH+]1)c1ccc(C)o1 ZINC000683899078 487711014 /nfs/dbraw/zinc/71/10/14/487711014.db2.gz COTRZCFLHJMOIP-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO COC[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(C)o1 ZINC000683899078 487711020 /nfs/dbraw/zinc/71/10/20/487711020.db2.gz COTRZCFLHJMOIP-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H](C)OC)s1 ZINC000671737452 487715930 /nfs/dbraw/zinc/71/59/30/487715930.db2.gz ULJGPJCQJLCYIB-QMMMGPOBSA-N 1 2 229.349 1.567 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H](C)OC)s1 ZINC000671737452 487715935 /nfs/dbraw/zinc/71/59/35/487715935.db2.gz ULJGPJCQJLCYIB-QMMMGPOBSA-N 1 2 229.349 1.567 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC(=O)N1 ZINC000411782950 487720936 /nfs/dbraw/zinc/72/09/36/487720936.db2.gz FJCGWPPITJQNER-CYZMBNFOSA-N 1 2 230.311 1.363 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC(=O)N1 ZINC000411782950 487720940 /nfs/dbraw/zinc/72/09/40/487720940.db2.gz FJCGWPPITJQNER-CYZMBNFOSA-N 1 2 230.311 1.363 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]12C[C@H]1COC2(C)C ZINC000668419813 487722271 /nfs/dbraw/zinc/72/22/71/487722271.db2.gz MXLWXCNJEJYDNJ-HZMBPMFUSA-N 1 2 246.310 1.566 20 0 BDADLO CCN(c1cc[nH+]c(C)n1)[C@H]1CCCOC1 ZINC000651415782 487736370 /nfs/dbraw/zinc/73/63/70/487736370.db2.gz MWHPWPUAKMAJTI-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666178635 487745498 /nfs/dbraw/zinc/74/54/98/487745498.db2.gz PFVXRWNONBJCAB-RKDXNWHRSA-N 1 2 207.277 1.002 20 0 BDADLO CC(C)C1(NC(=O)NCc2c[nH+]cn2C)CC1 ZINC000458814347 487748091 /nfs/dbraw/zinc/74/80/91/487748091.db2.gz PQIVJVPKENPYHQ-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCCC2)[C@H]1CCOC1 ZINC000649522058 487758281 /nfs/dbraw/zinc/75/82/81/487758281.db2.gz KPSGQPIJEITJDC-ZDUSSCGKSA-N 1 2 235.331 1.440 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCCC2)[C@H]1CCOC1 ZINC000649522058 487758284 /nfs/dbraw/zinc/75/82/84/487758284.db2.gz KPSGQPIJEITJDC-ZDUSSCGKSA-N 1 2 235.331 1.440 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC(F)(F)C1 ZINC000675681634 487765186 /nfs/dbraw/zinc/76/51/86/487765186.db2.gz QUCDBDYVDAKHLF-SECBINFHSA-N 1 2 243.257 1.577 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC(F)(F)C2)c[nH+]1 ZINC000675709662 487768715 /nfs/dbraw/zinc/76/87/15/487768715.db2.gz XPKDXHZBXNGOOS-ZETCQYMHSA-N 1 2 229.230 1.636 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000668448399 487770223 /nfs/dbraw/zinc/77/02/23/487770223.db2.gz OOTZKEUKNSTTKY-NOZJJQNGSA-N 1 2 249.314 1.183 20 0 BDADLO COCC1([NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000675763953 487775846 /nfs/dbraw/zinc/77/58/46/487775846.db2.gz YGEMHIJFHHUWJN-UHFFFAOYSA-N 1 2 231.299 1.832 20 0 BDADLO CCOC1C[NH+](Cc2ccc(C)nc2)C1 ZINC000459604775 487778115 /nfs/dbraw/zinc/77/81/15/487778115.db2.gz KDJWUEVLIAQTRY-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CCCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000681358425 487784075 /nfs/dbraw/zinc/78/40/75/487784075.db2.gz ZWZMTMCXQKMGBB-UHFFFAOYSA-N 1 2 207.277 1.308 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000591136108 487790268 /nfs/dbraw/zinc/79/02/68/487790268.db2.gz HRZHYQUQFMXWMB-QWRGUYRKSA-N 1 2 221.304 1.436 20 0 BDADLO CN(Cc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000681474616 487801202 /nfs/dbraw/zinc/80/12/02/487801202.db2.gz XVWPCJCXLRVJSY-UHFFFAOYSA-N 1 2 244.298 1.751 20 0 BDADLO Cc1cc(CNc2nc(N(C)C)nc(C)[nH+]2)on1 ZINC000676078427 487810510 /nfs/dbraw/zinc/81/05/10/487810510.db2.gz FPNAXFFUQXVEHR-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1cc(CNc2nc(C)[nH+]c(N(C)C)n2)on1 ZINC000676078427 487810514 /nfs/dbraw/zinc/81/05/14/487810514.db2.gz FPNAXFFUQXVEHR-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1nc(N(C)Cc2ccco2)nc(N(C)C)[nH+]1 ZINC000676077323 487810551 /nfs/dbraw/zinc/81/05/51/487810551.db2.gz NRMHZLAGOLPXQF-UHFFFAOYSA-N 1 2 247.302 1.475 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)Cc2ccco2)[nH+]1 ZINC000676077323 487810554 /nfs/dbraw/zinc/81/05/54/487810554.db2.gz NRMHZLAGOLPXQF-UHFFFAOYSA-N 1 2 247.302 1.475 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)CC(F)F)C1 ZINC001172624005 974898537 /nfs/dbraw/zinc/89/85/37/974898537.db2.gz UEUIOXHFNPTBSS-RKDXNWHRSA-N 1 2 235.274 1.915 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)CC(F)F)C1 ZINC001172624005 974898539 /nfs/dbraw/zinc/89/85/39/974898539.db2.gz UEUIOXHFNPTBSS-RKDXNWHRSA-N 1 2 235.274 1.915 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC1CC1)c1cscn1 ZINC000229113463 487820619 /nfs/dbraw/zinc/82/06/19/487820619.db2.gz REAUEGNURLNYPP-ZETCQYMHSA-N 1 2 225.317 1.072 20 0 BDADLO CC(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828206 487822560 /nfs/dbraw/zinc/82/25/60/487822560.db2.gz SYMQYAWCKQVGBN-UHFFFAOYSA-N 1 2 221.304 1.772 20 0 BDADLO CCc1cc(N[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000077994001 487823855 /nfs/dbraw/zinc/82/38/55/487823855.db2.gz NHBDDWCYFYLWSS-NXEZZACHSA-N 1 2 207.277 1.364 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)NC1CC1 ZINC000229134986 487824952 /nfs/dbraw/zinc/82/49/52/487824952.db2.gz FREYEQBZRZYGII-JGVFFNPUSA-N 1 2 239.344 1.461 20 0 BDADLO CC(C)=CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493760618 527430371 /nfs/dbraw/zinc/43/03/71/527430371.db2.gz VXRNCTUJXUHRTH-ARJAWSKDSA-N 1 2 205.261 1.505 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000681653136 487830992 /nfs/dbraw/zinc/83/09/92/487830992.db2.gz ZARQXZRZBHAZQG-MNOVXSKESA-N 1 2 248.330 1.504 20 0 BDADLO O=C(NCCC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681651564 487830800 /nfs/dbraw/zinc/83/08/00/487830800.db2.gz QGQSATAKIYECTA-NSHDSACASA-N 1 2 248.330 1.297 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000668090146 487833214 /nfs/dbraw/zinc/83/32/14/487833214.db2.gz GRMOCSVKLMSPFS-VIFPVBQESA-N 1 2 245.286 1.153 20 0 BDADLO CC(C)CONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493375800 528116074 /nfs/dbraw/zinc/11/60/74/528116074.db2.gz ZVGVMVQHJHLDKR-ONEGZZNKSA-N 1 2 209.249 1.127 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000313089187 322947834 /nfs/dbraw/zinc/94/78/34/322947834.db2.gz SAJJICXNJBEQMU-SECBINFHSA-N 1 2 229.320 1.343 20 0 BDADLO CO[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CCCC1 ZINC000668995063 487841930 /nfs/dbraw/zinc/84/19/30/487841930.db2.gz GBADYCCHHNTDPQ-LLVKDONJSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CCCC1 ZINC000668995063 487841934 /nfs/dbraw/zinc/84/19/34/487841934.db2.gz GBADYCCHHNTDPQ-LLVKDONJSA-N 1 2 237.303 1.231 20 0 BDADLO C[C@H](N(C)C(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000558400135 322949487 /nfs/dbraw/zinc/94/94/87/322949487.db2.gz NZGYFOKJOMUMHO-JTQLQIEISA-N 1 2 237.347 1.856 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCC2(CC2)C1 ZINC000668995050 487843087 /nfs/dbraw/zinc/84/30/87/487843087.db2.gz FPNGLDPEYHQDNX-SNVBAGLBSA-N 1 2 233.315 1.996 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCC2(CC2)C1 ZINC000668995050 487843088 /nfs/dbraw/zinc/84/30/88/487843088.db2.gz FPNGLDPEYHQDNX-SNVBAGLBSA-N 1 2 233.315 1.996 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)s1 ZINC000681706857 487843874 /nfs/dbraw/zinc/84/38/74/487843874.db2.gz MXRQMZCDTQJNHR-BDAKNGLRSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)s1 ZINC000681706857 487843877 /nfs/dbraw/zinc/84/38/77/487843877.db2.gz MXRQMZCDTQJNHR-BDAKNGLRSA-N 1 2 241.360 1.303 20 0 BDADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCF)C1 ZINC000880306131 590998380 /nfs/dbraw/zinc/99/83/80/590998380.db2.gz MDWBFRXUNMGFNE-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000078448601 487850408 /nfs/dbraw/zinc/85/04/08/487850408.db2.gz SHLCTQFQRKDFBO-UHFFFAOYSA-N 1 2 244.298 1.142 20 0 BDADLO CC(C)N(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000668151902 487853411 /nfs/dbraw/zinc/85/34/11/487853411.db2.gz RZWATPIQQWJZJL-LLVKDONJSA-N 1 2 247.342 1.845 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668498258 487854651 /nfs/dbraw/zinc/85/46/51/487854651.db2.gz PEVSOEAPBVXHAQ-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000668498258 487854655 /nfs/dbraw/zinc/85/46/55/487854655.db2.gz PEVSOEAPBVXHAQ-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOCC2CCC2)o1 ZINC000558647932 322952934 /nfs/dbraw/zinc/95/29/34/322952934.db2.gz ZXVGCNGGVLYYAW-VIFPVBQESA-N 1 2 239.319 1.845 20 0 BDADLO CCn1c[nH+]cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000668498628 487856594 /nfs/dbraw/zinc/85/65/94/487856594.db2.gz UXCWDIPCLMTNKA-SNVBAGLBSA-N 1 2 245.273 1.105 20 0 BDADLO C/C(=C\c1cn(C)c[nH+]1)c1cnccn1 ZINC000669819042 487858846 /nfs/dbraw/zinc/85/88/46/487858846.db2.gz UFPUGBUDDBDILI-WEVVVXLNSA-N 1 2 200.245 1.771 20 0 BDADLO O=C(Nc1nncs1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666727067 487866272 /nfs/dbraw/zinc/86/62/72/487866272.db2.gz UYEOUOKICDYHJU-ZCFIWIBFSA-N 1 2 249.299 1.005 20 0 BDADLO O=C(Nc1nncs1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666727067 487866278 /nfs/dbraw/zinc/86/62/78/487866278.db2.gz UYEOUOKICDYHJU-ZCFIWIBFSA-N 1 2 249.299 1.005 20 0 BDADLO Cc1cc(N2CCC[C@@H](OC(F)F)C2)nc[nH+]1 ZINC000679711315 487866124 /nfs/dbraw/zinc/86/61/24/487866124.db2.gz ZRXROCTUZAKYJB-SECBINFHSA-N 1 2 243.257 1.993 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC1(C)C)CC2 ZINC000373306385 487866129 /nfs/dbraw/zinc/86/61/29/487866129.db2.gz WJUWGTGYCBXOTR-SNVBAGLBSA-N 1 2 233.315 1.580 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000676539118 487870673 /nfs/dbraw/zinc/87/06/73/487870673.db2.gz PGNBWRRLIBCRJF-IUCAKERBSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000676539118 487870680 /nfs/dbraw/zinc/87/06/80/487870680.db2.gz PGNBWRRLIBCRJF-IUCAKERBSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000676714679 487901715 /nfs/dbraw/zinc/90/17/15/487901715.db2.gz XCMZGKJBZWULFG-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000676714679 487901720 /nfs/dbraw/zinc/90/17/20/487901720.db2.gz XCMZGKJBZWULFG-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000676714034 487902008 /nfs/dbraw/zinc/90/20/08/487902008.db2.gz NNHFWOJVLWEIRP-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000676714034 487902010 /nfs/dbraw/zinc/90/20/10/487902010.db2.gz NNHFWOJVLWEIRP-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653488698 487915358 /nfs/dbraw/zinc/91/53/58/487915358.db2.gz IBWOKHAKAJLAES-SNVBAGLBSA-N 1 2 237.351 1.803 20 0 BDADLO C[C@@H]1CCCC[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653488698 487915362 /nfs/dbraw/zinc/91/53/62/487915362.db2.gz IBWOKHAKAJLAES-SNVBAGLBSA-N 1 2 237.351 1.803 20 0 BDADLO Cc1nc(N2CCc3c[nH]nc3C2)c(C)c(C)[nH+]1 ZINC000676767591 487924273 /nfs/dbraw/zinc/92/42/73/487924273.db2.gz OYTXQUKTYKUXMJ-UHFFFAOYSA-N 1 2 243.314 1.688 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)n1 ZINC000682220896 487928432 /nfs/dbraw/zinc/92/84/32/487928432.db2.gz NGWYSFCOTVUYKH-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)n1 ZINC000682220896 487928437 /nfs/dbraw/zinc/92/84/37/487928437.db2.gz NGWYSFCOTVUYKH-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO c1n[nH]c2c1CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000676793420 487931458 /nfs/dbraw/zinc/93/14/58/487931458.db2.gz ZXVXULRABXFIGG-NSHDSACASA-N 1 2 203.289 1.877 20 0 BDADLO c1n[nH]c2c1CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000676793420 487931460 /nfs/dbraw/zinc/93/14/60/487931460.db2.gz ZXVXULRABXFIGG-NSHDSACASA-N 1 2 203.289 1.877 20 0 BDADLO COc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000654514501 487932991 /nfs/dbraw/zinc/93/29/91/487932991.db2.gz DUFYSFQAGROJNQ-VIFPVBQESA-N 1 2 249.270 1.303 20 0 BDADLO Cc1cc(C)c(NC(=O)NC/C=C/CO)c(C)[nH+]1 ZINC000667119173 487941552 /nfs/dbraw/zinc/94/15/52/487941552.db2.gz KXRJHWOQEAPRMF-SNAWJCMRSA-N 1 2 249.314 1.677 20 0 BDADLO C[C@@H]1C[C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@@H+]1C ZINC000158190031 487942708 /nfs/dbraw/zinc/94/27/08/487942708.db2.gz FOFWJNWMBNODLE-KOLCDFICSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@@H]1C[C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@H+]1C ZINC000158190031 487942714 /nfs/dbraw/zinc/94/27/14/487942714.db2.gz FOFWJNWMBNODLE-KOLCDFICSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(F)F ZINC000682373494 487942902 /nfs/dbraw/zinc/94/29/02/487942902.db2.gz RDAPEVVWYOKRBK-VGMNWLOBSA-N 1 2 207.264 1.733 20 0 BDADLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(F)F ZINC000682373494 487942905 /nfs/dbraw/zinc/94/29/05/487942905.db2.gz RDAPEVVWYOKRBK-VGMNWLOBSA-N 1 2 207.264 1.733 20 0 BDADLO C[C@@H](O)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000235337829 487943629 /nfs/dbraw/zinc/94/36/29/487943629.db2.gz SJABUPNLVREVHS-SNVBAGLBSA-N 1 2 236.315 1.171 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(O)cc1 ZINC000682406527 487950015 /nfs/dbraw/zinc/95/00/15/487950015.db2.gz RRWIVZOUCOXSPJ-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(O)cc1 ZINC000682406527 487950018 /nfs/dbraw/zinc/95/00/18/487950018.db2.gz RRWIVZOUCOXSPJ-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(C)nn(C)c2C)nn1C ZINC000487411223 533705203 /nfs/dbraw/zinc/70/52/03/533705203.db2.gz OOYLIYNNJRLDLP-UHFFFAOYSA-N 1 2 247.346 1.369 20 0 BDADLO CCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145206 487951067 /nfs/dbraw/zinc/95/10/67/487951067.db2.gz ZXBIIVOMUISHQY-SNVBAGLBSA-N 1 2 221.304 1.504 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccoc1 ZINC000667160600 487951447 /nfs/dbraw/zinc/95/14/47/487951447.db2.gz DPVDGGUFPDNPQJ-GHMZBOCLSA-N 1 2 245.282 1.433 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000531062478 322974779 /nfs/dbraw/zinc/97/47/79/322974779.db2.gz TUZZIQDDTIZDKH-UHFFFAOYSA-N 1 2 246.270 1.185 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1CCC(F)(F)CC1 ZINC000560238751 322984480 /nfs/dbraw/zinc/98/44/80/322984480.db2.gz VCVBZBPPQOVHJE-UHFFFAOYSA-N 1 2 243.257 1.577 20 0 BDADLO CN(C)c1ccc(NCc2cncnc2)[nH+]c1 ZINC000150899899 323002201 /nfs/dbraw/zinc/00/22/01/323002201.db2.gz PEAFOURHEDTWJM-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000561506935 323003123 /nfs/dbraw/zinc/00/31/23/323003123.db2.gz WXUDQCSUDLYJIS-LLVKDONJSA-N 1 2 235.331 1.467 20 0 BDADLO Cc1[nH+]c2cc(NC(=O)C(C)(C)O)ccc2n1C ZINC000259044800 323008933 /nfs/dbraw/zinc/00/89/33/323008933.db2.gz VERZSOYYUIGETG-UHFFFAOYSA-N 1 2 247.298 1.591 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131260114 323012680 /nfs/dbraw/zinc/01/26/80/323012680.db2.gz ZIRKKYVIBIUPRF-NSHDSACASA-N 1 2 233.315 1.314 20 0 BDADLO COCC(C)(C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566747907 323013059 /nfs/dbraw/zinc/01/30/59/323013059.db2.gz JFHXKSRQACBFKX-SECBINFHSA-N 1 2 239.319 1.650 20 0 BDADLO Cc1cc(C)n2c(CNc3c[nH]c[nH+]3)cnc2n1 ZINC000562212065 323013365 /nfs/dbraw/zinc/01/33/65/323013365.db2.gz QOSGPJLVYWAHCX-UHFFFAOYSA-N 1 2 242.286 1.681 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H](CCC)C1 ZINC000132458374 323015359 /nfs/dbraw/zinc/01/53/59/323015359.db2.gz GXEQQVGDUXKZRG-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H](CCC)C1 ZINC000132458374 323015360 /nfs/dbraw/zinc/01/53/60/323015360.db2.gz GXEQQVGDUXKZRG-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO Cn1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000562857769 323032425 /nfs/dbraw/zinc/03/24/25/323032425.db2.gz XLFVVNDNYCISGN-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000562857769 323032426 /nfs/dbraw/zinc/03/24/26/323032426.db2.gz XLFVVNDNYCISGN-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO Cc1cccn2c(CNc3cn(C)nn3)c[nH+]c12 ZINC000562914192 323033396 /nfs/dbraw/zinc/03/33/96/323033396.db2.gz ZGJSCAILSVNOAJ-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CS[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000569815418 323041424 /nfs/dbraw/zinc/04/14/24/323041424.db2.gz VKMBVXSVCBVLHZ-ZJUUUORDSA-N 1 2 241.360 1.702 20 0 BDADLO COc1c(N)[nH+]cnc1NC1CC(F)(F)C1 ZINC000572736401 323041900 /nfs/dbraw/zinc/04/19/00/323041900.db2.gz UXSZDBGVSLLHTO-UHFFFAOYSA-N 1 2 230.218 1.277 20 0 BDADLO COc1c(N)nc[nH+]c1NC1CC(F)(F)C1 ZINC000572736401 323041901 /nfs/dbraw/zinc/04/19/01/323041901.db2.gz UXSZDBGVSLLHTO-UHFFFAOYSA-N 1 2 230.218 1.277 20 0 BDADLO CS(=O)(=O)CC1CC[NH+](CC2(F)CC2)CC1 ZINC000569884257 323043627 /nfs/dbraw/zinc/04/36/27/323043627.db2.gz NHFCSIVEUHIPOW-UHFFFAOYSA-N 1 2 249.351 1.245 20 0 BDADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)C1CCC1 ZINC000570159528 323051408 /nfs/dbraw/zinc/05/14/08/323051408.db2.gz WUNWMDRPDXZJCJ-LLVKDONJSA-N 1 2 233.315 1.349 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1CCCO1 ZINC000570175157 323052086 /nfs/dbraw/zinc/05/20/86/323052086.db2.gz HSIHKENUNZOLCC-JTQLQIEISA-N 1 2 237.303 1.088 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000570582373 323064073 /nfs/dbraw/zinc/06/40/73/323064073.db2.gz UPLHEMJNYGTZNH-ZETCQYMHSA-N 1 2 233.275 1.259 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000570582373 323064074 /nfs/dbraw/zinc/06/40/74/323064074.db2.gz UPLHEMJNYGTZNH-ZETCQYMHSA-N 1 2 233.275 1.259 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H](CO)C1 ZINC000160303590 323064761 /nfs/dbraw/zinc/06/47/61/323064761.db2.gz NPBJTIAHKIQQPK-JTQLQIEISA-N 1 2 222.288 1.299 20 0 BDADLO Cc1nn(C(C)C)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000570654229 323066066 /nfs/dbraw/zinc/06/60/66/323066066.db2.gz XMESYEDMINUWLQ-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCC[C@H](O)C1 ZINC000570739324 323069129 /nfs/dbraw/zinc/06/91/29/323069129.db2.gz NWHVFETXITYLHY-RYUDHWBXSA-N 1 2 235.331 1.478 20 0 BDADLO Cc1cc(NCCC(C)(C)CO)nc[nH+]1 ZINC000395199701 323077039 /nfs/dbraw/zinc/07/70/39/323077039.db2.gz GMAXLXWEPHIASG-UHFFFAOYSA-N 1 2 209.293 1.027 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053607472 323077398 /nfs/dbraw/zinc/07/73/98/323077398.db2.gz TWCWNIOOPHTSNC-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053607472 323077399 /nfs/dbraw/zinc/07/73/99/323077399.db2.gz TWCWNIOOPHTSNC-UHFFFAOYSA-N 1 2 207.277 1.931 20 0 BDADLO O=C([C@@H]1C[C@@H]1C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000531195854 323085021 /nfs/dbraw/zinc/08/50/21/323085021.db2.gz LETHNXFGSJWDMO-VXGBXAGGSA-N 1 2 231.299 1.313 20 0 BDADLO O=C(CC[C@H]1CCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000531196481 323085119 /nfs/dbraw/zinc/08/51/19/323085119.db2.gz NTPQJRKNQZBRNP-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cncc(F)c1 ZINC000565313590 323085782 /nfs/dbraw/zinc/08/57/82/323085782.db2.gz HXSQGXBGUQLMBH-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cncc(F)c1 ZINC000565313590 323085783 /nfs/dbraw/zinc/08/57/83/323085783.db2.gz HXSQGXBGUQLMBH-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)C[S@](C)=O ZINC000229015581 323092897 /nfs/dbraw/zinc/09/28/97/323092897.db2.gz GWUXWKNQDQXWTC-GLEZIHRCSA-N 1 2 228.317 1.269 20 0 BDADLO CCn1cc[nH+]c1CN1CC(OC(F)F)C1 ZINC000563116253 323093273 /nfs/dbraw/zinc/09/32/73/323093273.db2.gz MCBLTVWXROWMGK-UHFFFAOYSA-N 1 2 231.246 1.326 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563201811 323101517 /nfs/dbraw/zinc/10/15/17/323101517.db2.gz YIKHTVACNQBRJZ-ZJUUUORDSA-N 1 2 239.294 1.310 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCCC1 ZINC000565430974 323106759 /nfs/dbraw/zinc/10/67/59/323106759.db2.gz GUOLWZZAMPMTHS-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCCC1 ZINC000565430974 323106760 /nfs/dbraw/zinc/10/67/60/323106760.db2.gz GUOLWZZAMPMTHS-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CCC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000563284910 323108518 /nfs/dbraw/zinc/10/85/18/323108518.db2.gz DCBVJJDZTKHBOR-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO CC(C)(NC(=O)CCc1ccoc1)c1[nH]cc[nH+]1 ZINC000563285393 323108559 /nfs/dbraw/zinc/10/85/59/323108559.db2.gz OUSNMJQGFHQXRK-UHFFFAOYSA-N 1 2 247.298 1.987 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC(F)C3)ccn12 ZINC000563390195 323121698 /nfs/dbraw/zinc/12/16/98/323121698.db2.gz PIGNPOBWMINQLD-UHFFFAOYSA-N 1 2 233.246 1.437 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C1CCOCC1 ZINC000563420313 323124022 /nfs/dbraw/zinc/12/40/22/323124022.db2.gz PAPDJPIBONPYSD-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCc1cnc(CNc2nc(C)[nH+]cc2C)o1 ZINC000563427261 323126226 /nfs/dbraw/zinc/12/62/26/323126226.db2.gz MINHJRDWNYCRPU-UHFFFAOYSA-N 1 2 232.287 1.678 20 0 BDADLO Cc1cc(C[NH2+]CC(C)(F)F)n(C)n1 ZINC000563593182 323130834 /nfs/dbraw/zinc/13/08/34/323130834.db2.gz NQCCMFOMAXLCFR-UHFFFAOYSA-N 1 2 203.236 1.473 20 0 BDADLO CCC[C@H](C)[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000563628215 323132474 /nfs/dbraw/zinc/13/24/74/323132474.db2.gz BTWWLSNBIUKJIR-GXSJLCMTSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ncccn1 ZINC000571179084 323137310 /nfs/dbraw/zinc/13/73/10/323137310.db2.gz GPRIIJBPCWJSIT-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO C[C@H](CC(=O)N1CCO[C@@H](C)C1)n1cc[nH+]c1 ZINC000571219613 323138231 /nfs/dbraw/zinc/13/82/31/323138231.db2.gz NAHSTAQAQOMNHN-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)C)ccn12 ZINC000571414148 323144045 /nfs/dbraw/zinc/14/40/45/323144045.db2.gz GQDFZGREUJMLTM-UHFFFAOYSA-N 1 2 203.245 1.345 20 0 BDADLO CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)C1)c1[nH]cc[nH+]1 ZINC000571525717 323146879 /nfs/dbraw/zinc/14/68/79/323146879.db2.gz FFVQFFKTDUTVQH-KOLCDFICSA-N 1 2 249.314 1.592 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC12CCCC2 ZINC000571617741 323149458 /nfs/dbraw/zinc/14/94/58/323149458.db2.gz JICGQJVUVBPZJR-LLVKDONJSA-N 1 2 248.330 1.515 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000451552878 323150190 /nfs/dbraw/zinc/15/01/90/323150190.db2.gz ZGUPAIBUEBPXCB-MWLCHTKSSA-N 1 2 238.335 1.360 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000451552878 323150191 /nfs/dbraw/zinc/15/01/91/323150191.db2.gz ZGUPAIBUEBPXCB-MWLCHTKSSA-N 1 2 238.335 1.360 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CO[C@@H](C)C2)c(C)c[nH+]1 ZINC000525878531 323182907 /nfs/dbraw/zinc/18/29/07/323182907.db2.gz XFMMVLHRNIJCCW-WDEREUQCSA-N 1 2 234.299 1.484 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)s1)CC(C)(C)O ZINC000528381125 323185472 /nfs/dbraw/zinc/18/54/72/323185472.db2.gz GRBJZNTXKHYWRB-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)s1)CC(C)(C)O ZINC000528381125 323185473 /nfs/dbraw/zinc/18/54/73/323185473.db2.gz GRBJZNTXKHYWRB-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO CCC[C@@H]([NH2+]Cc1c[nH]nn1)C1CCC1 ZINC000398407563 323185585 /nfs/dbraw/zinc/18/55/85/323185585.db2.gz PNOWNKUXWBJMDD-LLVKDONJSA-N 1 2 208.309 1.863 20 0 BDADLO CCC[C@@H]([NH2+]Cc1cn[nH]n1)C1CCC1 ZINC000398407563 323185586 /nfs/dbraw/zinc/18/55/86/323185586.db2.gz PNOWNKUXWBJMDD-LLVKDONJSA-N 1 2 208.309 1.863 20 0 BDADLO CC[N@@H+](Cc1cc(C)on1)C[C@@H]1CCCO1 ZINC000051555237 323189807 /nfs/dbraw/zinc/18/98/07/323189807.db2.gz NQRJKSGSDPEGFL-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[N@H+](Cc1cc(C)on1)C[C@@H]1CCCO1 ZINC000051555237 323189808 /nfs/dbraw/zinc/18/98/08/323189808.db2.gz NQRJKSGSDPEGFL-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@H]2CCOC2)c(C)c[nH+]1 ZINC000536619226 323198727 /nfs/dbraw/zinc/19/87/27/323198727.db2.gz OJEGREMBFBTRLV-NSHDSACASA-N 1 2 249.314 1.373 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2C[C@H]2C)c(C)c[nH+]1 ZINC000536620765 323198852 /nfs/dbraw/zinc/19/88/52/323198852.db2.gz JDVJQLJCHSSCEP-LDYMZIIASA-N 1 2 233.315 1.898 20 0 BDADLO Cc1cc(CNC(=O)c2nncs2)cc(C)[nH+]1 ZINC000530190027 323206918 /nfs/dbraw/zinc/20/69/18/323206918.db2.gz XSNUVWOWVUERIX-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccoc1 ZINC000532197150 323208725 /nfs/dbraw/zinc/20/87/25/323208725.db2.gz LDSKDCDKKYALGG-VIFPVBQESA-N 1 2 232.287 1.668 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2cccc3[nH+]ccn32)CO1 ZINC000526133129 323241464 /nfs/dbraw/zinc/24/14/64/323241464.db2.gz XRDXZBQQSZQWRL-NXEZZACHSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1ccnc(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000532352733 323255977 /nfs/dbraw/zinc/25/59/77/323255977.db2.gz ZMEJFKJAPZPHPQ-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1ccnc(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000532352733 323255978 /nfs/dbraw/zinc/25/59/78/323255978.db2.gz ZMEJFKJAPZPHPQ-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000532763784 323294038 /nfs/dbraw/zinc/29/40/38/323294038.db2.gz JARCMIAOYIORBI-JTQLQIEISA-N 1 2 245.326 1.504 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1nc(N)c2ccccc2[nH+]1 ZINC000530359571 323382684 /nfs/dbraw/zinc/38/26/84/323382684.db2.gz CWEINMAYFMRNGC-DTWKUNHWSA-N 1 2 244.298 1.002 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC12CCCC2 ZINC000548132317 323472153 /nfs/dbraw/zinc/47/21/53/323472153.db2.gz DKESQMJGPUMPAI-LBPRGKRZSA-N 1 2 247.342 1.659 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCc2ncnn2C1 ZINC000571963994 323513575 /nfs/dbraw/zinc/51/35/75/323513575.db2.gz KWLCHDDIIUPPPW-JTQLQIEISA-N 1 2 244.302 1.112 20 0 BDADLO CC1(C2(NC(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000571976305 323515024 /nfs/dbraw/zinc/51/50/24/323515024.db2.gz BHIKUQMVHQVBJL-UHFFFAOYSA-N 1 2 248.330 1.515 20 0 BDADLO C[C@H](NC(=O)N1CC(C2CC2)C1)c1[nH+]ccn1C ZINC000667248658 487960560 /nfs/dbraw/zinc/96/05/60/487960560.db2.gz CRTJRTSUSHWBHT-VIFPVBQESA-N 1 2 248.330 1.533 20 0 BDADLO CC1(C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000533089874 323830715 /nfs/dbraw/zinc/83/07/15/323830715.db2.gz KWBWCUURFMEXBY-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO COC(=O)NCCC(=O)Nc1cc[nH+]cc1C ZINC000107598779 323853713 /nfs/dbraw/zinc/85/37/13/323853713.db2.gz CFJIKJCPUMWTAC-UHFFFAOYSA-N 1 2 237.259 1.075 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOC(C)(C)C ZINC000122168205 324031964 /nfs/dbraw/zinc/03/19/64/324031964.db2.gz LMPFTCVWNRYEFL-UHFFFAOYSA-N 1 2 231.336 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOC(C)(C)C ZINC000122168205 324031967 /nfs/dbraw/zinc/03/19/67/324031967.db2.gz LMPFTCVWNRYEFL-UHFFFAOYSA-N 1 2 231.336 1.687 20 0 BDADLO CO[C@H](C)CN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000514766995 324112128 /nfs/dbraw/zinc/11/21/28/324112128.db2.gz XVEAPZYSJUIJFN-LLVKDONJSA-N 1 2 239.319 1.155 20 0 BDADLO Cc1ccc(NC(=O)NCC2COC2)c(C)[nH+]1 ZINC000529014676 324231995 /nfs/dbraw/zinc/23/19/95/324231995.db2.gz KVOVCNOQITXCAQ-UHFFFAOYSA-N 1 2 235.287 1.466 20 0 BDADLO C[C@@H]1[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H]1C1CC1 ZINC000529514311 324320380 /nfs/dbraw/zinc/32/03/80/324320380.db2.gz BNVWZNMAHXXLHT-AXTRIDKLSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H]1C1CC1 ZINC000529514311 324320382 /nfs/dbraw/zinc/32/03/82/324320382.db2.gz BNVWZNMAHXXLHT-AXTRIDKLSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H]1C1CC1 ZINC000529514312 324320729 /nfs/dbraw/zinc/32/07/29/324320729.db2.gz BNVWZNMAHXXLHT-KPXOXKRLSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H]1C1CC1 ZINC000529514312 324320734 /nfs/dbraw/zinc/32/07/34/324320734.db2.gz BNVWZNMAHXXLHT-KPXOXKRLSA-N 1 2 233.315 1.660 20 0 BDADLO Cc1cocc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000529521372 324323327 /nfs/dbraw/zinc/32/33/27/324323327.db2.gz RLQOXCGGSOUWCJ-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1cocc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000529521372 324323335 /nfs/dbraw/zinc/32/33/35/324323335.db2.gz RLQOXCGGSOUWCJ-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1scnc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000529548041 324336832 /nfs/dbraw/zinc/33/68/32/324336832.db2.gz FRMLXKJKALQVDM-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1scnc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000529548041 324336833 /nfs/dbraw/zinc/33/68/33/324336833.db2.gz FRMLXKJKALQVDM-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529584105 324352215 /nfs/dbraw/zinc/35/22/15/324352215.db2.gz ZWNXLWXWFYGLEB-GRYCIOLGSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529584105 324352221 /nfs/dbraw/zinc/35/22/21/324352221.db2.gz ZWNXLWXWFYGLEB-GRYCIOLGSA-N 1 2 247.342 1.813 20 0 BDADLO Cn1ccc(C[NH+]2CC(Cc3ccco3)C2)n1 ZINC000529649019 324370739 /nfs/dbraw/zinc/37/07/39/324370739.db2.gz MTLHJKXTMYKZAN-UHFFFAOYSA-N 1 2 231.299 1.688 20 0 BDADLO CCOC[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000529666126 324373775 /nfs/dbraw/zinc/37/37/75/324373775.db2.gz JVDBTIGOOPGETM-SNVBAGLBSA-N 1 2 217.284 1.226 20 0 BDADLO CCOC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000529666126 324373779 /nfs/dbraw/zinc/37/37/79/324373779.db2.gz JVDBTIGOOPGETM-SNVBAGLBSA-N 1 2 217.284 1.226 20 0 BDADLO CC(C)(C(=O)NCC1CC=CC1)c1c[nH]c[nH+]1 ZINC000529708880 324382507 /nfs/dbraw/zinc/38/25/07/324382507.db2.gz JXUTZDZOWSAVAR-UHFFFAOYSA-N 1 2 233.315 1.770 20 0 BDADLO COc1ccc[nH+]c1NCCCn1cccn1 ZINC000127357581 324762051 /nfs/dbraw/zinc/76/20/51/324762051.db2.gz DQKNKFSGBFURHU-UHFFFAOYSA-N 1 2 232.287 1.789 20 0 BDADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccon1 ZINC000542912296 325062472 /nfs/dbraw/zinc/06/24/72/325062472.db2.gz JESRSLSRTWJCPG-GFCCVEGCSA-N 1 2 248.282 1.506 20 0 BDADLO COc1cccc2ncnc(-n3cc[nH+]c3)c21 ZINC000543031776 325067856 /nfs/dbraw/zinc/06/78/56/325067856.db2.gz CFJNIWPXSSHGKG-UHFFFAOYSA-N 1 2 226.239 1.824 20 0 BDADLO C[C@H]([NH2+]Cc1cnc2cnccn12)c1ccon1 ZINC000543636576 325098766 /nfs/dbraw/zinc/09/87/66/325098766.db2.gz SVAGSXDZEMGRBX-VIFPVBQESA-N 1 2 243.270 1.568 20 0 BDADLO CN(CC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131259883 325131825 /nfs/dbraw/zinc/13/18/25/325131825.db2.gz ZIRKKYVIBIUPRF-LLVKDONJSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@@H]1C[C@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000545060980 325174905 /nfs/dbraw/zinc/17/49/05/325174905.db2.gz IPNXJXRZGPFPRU-RKDXNWHRSA-N 1 2 218.260 1.632 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cccnc1 ZINC000132472473 325219288 /nfs/dbraw/zinc/21/92/88/325219288.db2.gz NANBTGBXHYMGMD-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCc2ccsc2C1 ZINC000132640920 325232276 /nfs/dbraw/zinc/23/22/76/325232276.db2.gz DPIKXLVNRBZQDS-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1cnnc1C[N@H+]1CCc2ccsc2C1 ZINC000132640920 325232279 /nfs/dbraw/zinc/23/22/79/325232279.db2.gz DPIKXLVNRBZQDS-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cc1cc(NC(=O)N(C)C2CC(O)C2)c(C)c[nH+]1 ZINC000546852633 325315229 /nfs/dbraw/zinc/31/52/29/325315229.db2.gz GPDIVLADRHAGHI-UHFFFAOYSA-N 1 2 249.314 1.107 20 0 BDADLO CCc1nc(C[NH2+]C(C)(C)COC)no1 ZINC000076493859 325346950 /nfs/dbraw/zinc/34/69/50/325346950.db2.gz MPALSUBUGGABMR-UHFFFAOYSA-N 1 2 213.281 1.147 20 0 BDADLO O=C(CCc1cccs1)NCCc1[nH]cc[nH+]1 ZINC000134498720 325361372 /nfs/dbraw/zinc/36/13/72/325361372.db2.gz VDPYDSMJKYFUFY-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000547483958 325361826 /nfs/dbraw/zinc/36/18/26/325361826.db2.gz YUVBOKXCTAJZND-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1csc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000547539332 325370960 /nfs/dbraw/zinc/37/09/60/325370960.db2.gz MXRAAPPBAIFNIW-UHFFFAOYSA-N 1 2 236.300 1.366 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1CC(C)(C)C1 ZINC000547729039 325389171 /nfs/dbraw/zinc/38/91/71/325389171.db2.gz VFHKWTVXRMJWPH-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO COCCc1noc(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000547768763 325394458 /nfs/dbraw/zinc/39/44/58/325394458.db2.gz QVAHUNXEERDKFT-RKDXNWHRSA-N 1 2 225.292 1.241 20 0 BDADLO CCCC[C@H]([NH2+]CCOCC)C(=O)OC ZINC000135168533 325398517 /nfs/dbraw/zinc/39/85/17/325398517.db2.gz ZWTFXMBFXQNSGA-JTQLQIEISA-N 1 2 217.309 1.344 20 0 BDADLO CCN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000078754350 325430919 /nfs/dbraw/zinc/43/09/19/325430919.db2.gz IPTVXTCYNMQZNT-UHFFFAOYSA-N 1 2 231.299 1.823 20 0 BDADLO CCOc1cc(N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000139927442 325581041 /nfs/dbraw/zinc/58/10/41/325581041.db2.gz HWEDUVHBMRCIKI-MRVPVSSYSA-N 1 2 233.275 1.772 20 0 BDADLO CCO[C@H]1C[C@@H]1[NH2+]Cc1c(F)ccc(O)c1F ZINC000552024161 325588397 /nfs/dbraw/zinc/58/83/97/325588397.db2.gz HNOKTMCJHJTOHF-ONGXEEELSA-N 1 2 243.253 1.937 20 0 BDADLO CCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000552378217 325627244 /nfs/dbraw/zinc/62/72/44/325627244.db2.gz RBJBOBBDQAEQGR-UHFFFAOYSA-N 1 2 234.290 1.490 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC000249155402 325639213 /nfs/dbraw/zinc/63/92/13/325639213.db2.gz YONWENOJEWJYQV-LNFKQOIKSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C)c1[nH]cc[nH+]1 ZINC000552557260 325653492 /nfs/dbraw/zinc/65/34/92/325653492.db2.gz AKNAILQHSDXGJJ-IVZWLZJFSA-N 1 2 249.314 1.592 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000253190775 325713553 /nfs/dbraw/zinc/71/35/53/325713553.db2.gz UAJHCISCJJTNEP-MDZLAQPJSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H](CC(=O)N(C)c1cccnc1)n1cc[nH+]c1 ZINC000565047109 325850972 /nfs/dbraw/zinc/85/09/72/325850972.db2.gz GCTYPXSBMHLLOW-NSHDSACASA-N 1 2 244.298 1.892 20 0 BDADLO CC(C)(NC(=O)C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000565108494 325859590 /nfs/dbraw/zinc/85/95/90/325859590.db2.gz ZMTSHDDCCPEIEB-VIFPVBQESA-N 1 2 237.303 1.330 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565310603 325895322 /nfs/dbraw/zinc/89/53/22/325895322.db2.gz XNKBVRDPCGYCQX-BDAKNGLRSA-N 1 2 237.303 1.186 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]cc2C)cn1 ZINC000565689653 325943193 /nfs/dbraw/zinc/94/31/93/325943193.db2.gz HNDLKJFCXCCGJG-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO CC(C)Oc1cncc(NCc2c[nH+]cn2C)n1 ZINC000565923334 325974241 /nfs/dbraw/zinc/97/42/41/325974241.db2.gz PWWUINPCXJCKAM-UHFFFAOYSA-N 1 2 247.302 1.609 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2nnc[nH]2)n1 ZINC000566155699 326003785 /nfs/dbraw/zinc/00/37/85/326003785.db2.gz IYABKQKSZSAKCX-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2nnc[nH]2)n1 ZINC000566155699 326003786 /nfs/dbraw/zinc/00/37/86/326003786.db2.gz IYABKQKSZSAKCX-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO CCC[C@](C)([NH3+])C(=O)N=c1[nH][nH]c(CC)c1C ZINC000566179781 326007832 /nfs/dbraw/zinc/00/78/32/326007832.db2.gz QCFMBERDGRAYEV-LBPRGKRZSA-N 1 2 238.335 1.158 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)ncn1 ZINC000566185337 326008922 /nfs/dbraw/zinc/00/89/22/326008922.db2.gz CJYCTNIVMSPCTP-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)ncn1 ZINC000566185337 326008924 /nfs/dbraw/zinc/00/89/24/326008924.db2.gz CJYCTNIVMSPCTP-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO C[C@@H](NC(=O)[C@]12C[C@H]1CCC2)c1[nH]cc[nH+]1 ZINC000566472208 326053081 /nfs/dbraw/zinc/05/30/81/326053081.db2.gz BWSUACKPJCOKKD-KBVBSXBZSA-N 1 2 219.288 1.777 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000566602080 326067263 /nfs/dbraw/zinc/06/72/63/326067263.db2.gz PUYBGYNBVRUFCS-ZJUUUORDSA-N 1 2 242.326 1.922 20 0 BDADLO CCO[C@@H]1C[C@H]1Nc1nc(C)[nH+]cc1C ZINC000567124116 326120154 /nfs/dbraw/zinc/12/01/54/326120154.db2.gz ZJTHXIPBAWNSHZ-NXEZZACHSA-N 1 2 207.277 1.683 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CC1(COC)CC1 ZINC000567168457 326127849 /nfs/dbraw/zinc/12/78/49/326127849.db2.gz MMYZBLADLKPZEM-UHFFFAOYSA-N 1 2 248.326 1.821 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2ccno2)n1 ZINC000567386950 326181317 /nfs/dbraw/zinc/18/13/17/326181317.db2.gz SJMOEHZRLOHVFY-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000567484592 326201800 /nfs/dbraw/zinc/20/18/00/326201800.db2.gz UGYIRILIJYGASA-IUCAKERBSA-N 1 2 237.303 1.196 20 0 BDADLO Cc1ccc2[nH+]cc(CNc3cnn(C)c3)n2c1 ZINC000156438654 326232685 /nfs/dbraw/zinc/23/26/85/326232685.db2.gz GPTYAZZSQHGMRW-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO Cc1cc(N2CCN(C)C(=O)C2)nc(C(C)C)[nH+]1 ZINC000156623122 326237320 /nfs/dbraw/zinc/23/73/20/326237320.db2.gz VCWINYGVJOJAMS-UHFFFAOYSA-N 1 2 248.330 1.187 20 0 BDADLO Cc1cc(NC(=O)COCC2CCCC2)cc[nH+]1 ZINC000567695148 326246827 /nfs/dbraw/zinc/24/68/27/326246827.db2.gz HKGKROBMHLULMC-UHFFFAOYSA-N 1 2 248.326 1.957 20 0 BDADLO COc1cc(NC(=O)Cn2cc[nH+]c2)ccc1F ZINC000567807309 326260578 /nfs/dbraw/zinc/26/05/78/326260578.db2.gz ZSHOCFZNDDNTGD-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO CC(C)(CNC(=O)C1(C)CC1)[NH+]1CCOCC1 ZINC000157949853 326301495 /nfs/dbraw/zinc/30/14/95/326301495.db2.gz ZXLMMSTVVOWFMK-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000158461359 326322941 /nfs/dbraw/zinc/32/29/41/326322941.db2.gz SYZOYJJAGRYEGW-UHFFFAOYSA-N 1 2 229.283 1.751 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@]2(C)CCCO2)C1 ZINC000568196671 326324732 /nfs/dbraw/zinc/32/47/32/326324732.db2.gz JPCWYASUQOKJOY-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)c1nc(N2Cc3cncnc3C2)cc[nH+]1 ZINC000568248746 326334826 /nfs/dbraw/zinc/33/48/26/326334826.db2.gz ZFDVKTZSTHYHMH-UHFFFAOYSA-N 1 2 241.298 1.910 20 0 BDADLO Cc1nc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c(C)o1 ZINC000568281562 326340825 /nfs/dbraw/zinc/34/08/25/326340825.db2.gz PYAZLBGNXOLEDN-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC(C)(C)C2)[nH]1 ZINC000158857023 326344951 /nfs/dbraw/zinc/34/49/51/326344951.db2.gz RVAKKAQPWOOKNJ-UHFFFAOYSA-N 1 2 240.376 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC(C)(C)C2)[nH]1 ZINC000158857023 326344953 /nfs/dbraw/zinc/34/49/53/326344953.db2.gz RVAKKAQPWOOKNJ-UHFFFAOYSA-N 1 2 240.376 1.695 20 0 BDADLO CCc1coc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000568413887 326355685 /nfs/dbraw/zinc/35/56/85/326355685.db2.gz UIUORMNUELNYCD-UHFFFAOYSA-N 1 2 234.259 1.152 20 0 BDADLO C[C@H](CC(=O)NCc1cccn1C)n1cc[nH+]c1 ZINC000568637430 326370234 /nfs/dbraw/zinc/37/02/34/326370234.db2.gz OBUWRAXTQAGIGZ-LLVKDONJSA-N 1 2 246.314 1.489 20 0 BDADLO CCC[C@H](C)[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000568771182 326376842 /nfs/dbraw/zinc/37/68/42/326376842.db2.gz KYTKHAOHISGDNA-CMPLNLGQSA-N 1 2 249.358 1.985 20 0 BDADLO CSC[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568924300 326382459 /nfs/dbraw/zinc/38/24/59/326382459.db2.gz MJXOFFIDTNBEQY-LLVKDONJSA-N 1 2 241.360 1.041 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CC(F)(F)F ZINC000568990564 326385310 /nfs/dbraw/zinc/38/53/10/326385310.db2.gz LGGQFMPKPAPIPL-MRVPVSSYSA-N 1 2 249.236 1.588 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000569096974 326389527 /nfs/dbraw/zinc/38/95/27/326389527.db2.gz XVJTUTAAWFIOCK-WDEREUQCSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)NCCn1cc[nH+]c1 ZINC000159293138 326394830 /nfs/dbraw/zinc/39/48/30/326394830.db2.gz ALFZMJVSDHQIAX-GHMZBOCLSA-N 1 2 236.319 1.466 20 0 BDADLO C[C@@H]1CC[NH2+]C[C@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000572826869 326412987 /nfs/dbraw/zinc/41/29/87/326412987.db2.gz GPIZIOXVODJACJ-RKDXNWHRSA-N 1 2 238.335 1.199 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCCCO1 ZINC000669973378 487973499 /nfs/dbraw/zinc/97/34/99/487973499.db2.gz RZLIBSIHDVZBCJ-UHFFFAOYSA-N 1 2 246.270 1.894 20 0 BDADLO Cc1cc(N2CC3(CC(F)C3)C2)nc[nH+]1 ZINC000677124935 487976011 /nfs/dbraw/zinc/97/60/11/487976011.db2.gz ZVVZFIBPRKCVEI-UHFFFAOYSA-N 1 2 207.252 1.723 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682525563 487976383 /nfs/dbraw/zinc/97/63/83/487976383.db2.gz LZBVNCMBZXKLME-NEPJUHHUSA-N 1 2 247.342 1.702 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ncnc2c1CCCC2 ZINC000675633630 487985922 /nfs/dbraw/zinc/98/59/22/487985922.db2.gz NAHPJQHVYWWKDD-UHFFFAOYSA-N 1 2 243.314 1.715 20 0 BDADLO COCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547611 487985997 /nfs/dbraw/zinc/98/59/97/487985997.db2.gz RWFJDIKNDTVDGU-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO COCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547611 487986001 /nfs/dbraw/zinc/98/60/01/487986001.db2.gz RWFJDIKNDTVDGU-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO Cc1cc(NC(=O)N2CCO[C@@H]3C[C@@H]32)c(C)c[nH+]1 ZINC000652797820 487987286 /nfs/dbraw/zinc/98/72/86/487987286.db2.gz QFGWNRCHKWAWRD-NWDGAFQWSA-N 1 2 247.298 1.125 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCc1[nH]cc[nH+]1 ZINC000668603092 487996110 /nfs/dbraw/zinc/99/61/10/487996110.db2.gz BITFXFGFQMBPPH-SECBINFHSA-N 1 2 233.271 1.498 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000655161135 488006036 /nfs/dbraw/zinc/00/60/36/488006036.db2.gz RTZFHUZFAFZDNK-DDHJBXDOSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000655161135 488006041 /nfs/dbraw/zinc/00/60/41/488006041.db2.gz RTZFHUZFAFZDNK-DDHJBXDOSA-N 1 2 247.342 1.893 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ncon1 ZINC001172745353 974919225 /nfs/dbraw/zinc/91/92/25/974919225.db2.gz CVTWTWBGXYOUPQ-VIFPVBQESA-N 1 2 241.291 1.280 20 0 BDADLO CN(C)c1ccc(C[NH2+]Cc2ccon2)cn1 ZINC000677321731 488016890 /nfs/dbraw/zinc/01/68/90/488016890.db2.gz KOLZJZPWQSCJLB-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667492747 488025757 /nfs/dbraw/zinc/02/57/57/488025757.db2.gz URCKWPPEOBZNGM-NSHDSACASA-N 1 2 249.358 1.908 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667492747 488025761 /nfs/dbraw/zinc/02/57/61/488025761.db2.gz URCKWPPEOBZNGM-NSHDSACASA-N 1 2 249.358 1.908 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](C2CCC2)C1 ZINC000666077601 488029739 /nfs/dbraw/zinc/02/97/39/488029739.db2.gz ZRZXKKWRFJRBHF-GFCCVEGCSA-N 1 2 233.315 1.532 20 0 BDADLO C[N@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000667504436 488033346 /nfs/dbraw/zinc/03/33/46/488033346.db2.gz SFJRWQFWRYTAEN-UHFFFAOYSA-N 1 2 206.293 1.597 20 0 BDADLO C[N@@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000667504436 488033348 /nfs/dbraw/zinc/03/33/48/488033348.db2.gz SFJRWQFWRYTAEN-UHFFFAOYSA-N 1 2 206.293 1.597 20 0 BDADLO Cc1cc(NC(=O)[C@@]23C[C@@H]2COC3(C)C)cc[nH+]1 ZINC000668634710 488033559 /nfs/dbraw/zinc/03/35/59/488033559.db2.gz CIKMAPHNTZQCMW-QMTHXVAHSA-N 1 2 246.310 1.566 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CCC[C@@H](C)O)CC2 ZINC000682771476 488035838 /nfs/dbraw/zinc/03/58/38/488035838.db2.gz HYKCAXKLOYFPLU-LLVKDONJSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CCC[C@@H](C)O)CC2 ZINC000682771476 488035839 /nfs/dbraw/zinc/03/58/39/488035839.db2.gz HYKCAXKLOYFPLU-LLVKDONJSA-N 1 2 223.320 1.168 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)[C@H](C)CO1 ZINC000667518024 488036880 /nfs/dbraw/zinc/03/68/80/488036880.db2.gz MRGDOXRUNAEIIJ-VXGBXAGGSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)[C@H](C)CO1 ZINC000667518024 488036882 /nfs/dbraw/zinc/03/68/82/488036882.db2.gz MRGDOXRUNAEIIJ-VXGBXAGGSA-N 1 2 249.358 1.902 20 0 BDADLO COc1ccc(C)cc1C[NH+]1CC(C)(O)C1 ZINC000084357214 488046184 /nfs/dbraw/zinc/04/61/84/488046184.db2.gz LPMITAWYUZINOF-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C ZINC000652657257 488048191 /nfs/dbraw/zinc/04/81/91/488048191.db2.gz ZEPRJSBQLMMITL-OPRDCNLKSA-N 1 2 236.319 1.672 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnn2CC2CC2)[C@H]1C ZINC000667639942 488066256 /nfs/dbraw/zinc/06/62/56/488066256.db2.gz GXZFKJMXTLOBQG-NWDGAFQWSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnn2CC2CC2)[C@H]1C ZINC000667639942 488066259 /nfs/dbraw/zinc/06/62/59/488066259.db2.gz GXZFKJMXTLOBQG-NWDGAFQWSA-N 1 2 249.358 1.902 20 0 BDADLO CN(Cc1cn[nH]c1)Cc1c[nH+]c2n1CCC2 ZINC000667640485 488066465 /nfs/dbraw/zinc/06/64/65/488066465.db2.gz VMPYMTBMEMUBSV-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)NCCC1CC1 ZINC000670080529 488066576 /nfs/dbraw/zinc/06/65/76/488066576.db2.gz ABWQXFQRCUVWCD-UHFFFAOYSA-N 1 2 248.330 1.491 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000249041213 488067749 /nfs/dbraw/zinc/06/77/49/488067749.db2.gz CDOWPSNMNUXBEA-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000249041213 488067754 /nfs/dbraw/zinc/06/77/54/488067754.db2.gz CDOWPSNMNUXBEA-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n(CC2CC2)n1 ZINC000667643943 488068357 /nfs/dbraw/zinc/06/83/57/488068357.db2.gz VJGVMLNVNFOWMO-OKILXGFUSA-N 1 2 247.342 1.656 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n(CC2CC2)n1 ZINC000667643943 488068358 /nfs/dbraw/zinc/06/83/58/488068358.db2.gz VJGVMLNVNFOWMO-OKILXGFUSA-N 1 2 247.342 1.656 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1cnco1 ZINC000677549713 488069844 /nfs/dbraw/zinc/06/98/44/488069844.db2.gz ZEAGFANGEBVFIT-UHFFFAOYSA-N 1 2 234.259 1.081 20 0 BDADLO C[C@@H](NC(=O)Nc1ccn(C)n1)c1[nH+]ccn1C ZINC000665919694 488083500 /nfs/dbraw/zinc/08/35/00/488083500.db2.gz TYTQDTHDXMMTPV-MRVPVSSYSA-N 1 2 248.290 1.036 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000683011879 488092493 /nfs/dbraw/zinc/09/24/93/488092493.db2.gz VPVJKQRJMJWWCK-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000683011879 488092499 /nfs/dbraw/zinc/09/24/99/488092499.db2.gz VPVJKQRJMJWWCK-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000683014441 488093395 /nfs/dbraw/zinc/09/33/95/488093395.db2.gz QRWLDQSJUTXWNH-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000683014441 488093398 /nfs/dbraw/zinc/09/33/98/488093398.db2.gz QRWLDQSJUTXWNH-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO CCN1CCC[N@H+](Cc2cc(C)ccn2)CC1=O ZINC000683028734 488100095 /nfs/dbraw/zinc/10/00/95/488100095.db2.gz BYLPPAIUIRFUGV-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCN1CCC[N@@H+](Cc2cc(C)ccn2)CC1=O ZINC000683028734 488100098 /nfs/dbraw/zinc/10/00/98/488100098.db2.gz BYLPPAIUIRFUGV-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@H](C)c2nnnn2C)c1 ZINC000683030147 488101159 /nfs/dbraw/zinc/10/11/59/488101159.db2.gz XLMCAIXYEKRMND-SNVBAGLBSA-N 1 2 248.334 1.225 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@H](C)c2nnnn2C)c1 ZINC000683030147 488101162 /nfs/dbraw/zinc/10/11/62/488101162.db2.gz XLMCAIXYEKRMND-SNVBAGLBSA-N 1 2 248.334 1.225 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678359983 488105988 /nfs/dbraw/zinc/10/59/88/488105988.db2.gz KWTZHSODFFJAGO-ONGXEEELSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)F)C2)n1C ZINC000677731738 488109536 /nfs/dbraw/zinc/10/95/36/488109536.db2.gz LGBWICPSSNPCGC-QMMMGPOBSA-N 1 2 230.262 1.211 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)F)C2)n1C ZINC000677731738 488109541 /nfs/dbraw/zinc/10/95/41/488109541.db2.gz LGBWICPSSNPCGC-QMMMGPOBSA-N 1 2 230.262 1.211 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](C(F)F)C2)no1 ZINC000677735272 488114760 /nfs/dbraw/zinc/11/47/60/488114760.db2.gz YAVANDDEPCUKCQ-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](C(F)F)C2)no1 ZINC000677735272 488114770 /nfs/dbraw/zinc/11/47/70/488114770.db2.gz YAVANDDEPCUKCQ-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000677508042 488115329 /nfs/dbraw/zinc/11/53/29/488115329.db2.gz RQENWSRMLMCUGM-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000677508042 488115332 /nfs/dbraw/zinc/11/53/32/488115332.db2.gz RQENWSRMLMCUGM-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662041758 488119150 /nfs/dbraw/zinc/11/91/50/488119150.db2.gz WGYAWFZINYAVPA-QWRGUYRKSA-N 1 2 249.314 1.415 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662041758 488119156 /nfs/dbraw/zinc/11/91/56/488119156.db2.gz WGYAWFZINYAVPA-QWRGUYRKSA-N 1 2 249.314 1.415 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1oc(C)nc1C ZINC000685564593 487543451 /nfs/dbraw/zinc/54/34/51/487543451.db2.gz CJXWGUYJQOOUSJ-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1oc(C)nc1C ZINC000685564593 487543446 /nfs/dbraw/zinc/54/34/46/487543446.db2.gz CJXWGUYJQOOUSJ-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000685561059 487544058 /nfs/dbraw/zinc/54/40/58/487544058.db2.gz FSTLGVHYIUTHIJ-JTQLQIEISA-N 1 2 237.303 1.131 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000685561059 487544063 /nfs/dbraw/zinc/54/40/63/487544063.db2.gz FSTLGVHYIUTHIJ-JTQLQIEISA-N 1 2 237.303 1.131 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCO[C@@H](CC)C2 ZINC000666171204 487547864 /nfs/dbraw/zinc/54/78/64/487547864.db2.gz NRUQEALPGSEURI-AAEUAGOBSA-N 1 2 240.347 1.504 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12CCO[C@@H](CC)C2 ZINC000666171204 487547869 /nfs/dbraw/zinc/54/78/69/487547869.db2.gz NRUQEALPGSEURI-AAEUAGOBSA-N 1 2 240.347 1.504 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000685566924 487548362 /nfs/dbraw/zinc/54/83/62/487548362.db2.gz QTSQUYDTMNNMGO-VHSXEESVSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000685566924 487548366 /nfs/dbraw/zinc/54/83/66/487548366.db2.gz QTSQUYDTMNNMGO-VHSXEESVSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)o1 ZINC000685570612 487552684 /nfs/dbraw/zinc/55/26/84/487552684.db2.gz HWOYDABSFPITFP-WDEREUQCSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)o1 ZINC000685570612 487552686 /nfs/dbraw/zinc/55/26/86/487552686.db2.gz HWOYDABSFPITFP-WDEREUQCSA-N 1 2 237.347 1.816 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cnns2)c1 ZINC000680254375 487553144 /nfs/dbraw/zinc/55/31/44/487553144.db2.gz UEHOJBFBCDMVTB-UHFFFAOYSA-N 1 2 249.299 1.251 20 0 BDADLO Cc1nc(CN(C)Cc2c[nH+]cn2C(C)C)no1 ZINC000668797520 487554626 /nfs/dbraw/zinc/55/46/26/487554626.db2.gz BWKTYKQNEQYZOP-UHFFFAOYSA-N 1 2 249.318 1.787 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2CC=CCC2)n1 ZINC000680077556 487533566 /nfs/dbraw/zinc/53/35/66/487533566.db2.gz IWQKBMVSMFQPPL-VIFPVBQESA-N 1 2 223.276 1.539 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2CC=CCC2)n1 ZINC000680077556 487533572 /nfs/dbraw/zinc/53/35/72/487533572.db2.gz IWQKBMVSMFQPPL-VIFPVBQESA-N 1 2 223.276 1.539 20 0 BDADLO CN(C(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000292183226 487472377 /nfs/dbraw/zinc/47/23/77/487472377.db2.gz BBBQCHSNMMDSJA-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO c1csc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681605411 487474225 /nfs/dbraw/zinc/47/42/25/487474225.db2.gz ZMUIBKFCICFVFY-VIFPVBQESA-N 1 2 235.316 1.182 20 0 BDADLO c1csc(C[N@H+]2CC[C@H](n3cncn3)C2)n1 ZINC000681605411 487474234 /nfs/dbraw/zinc/47/42/34/487474234.db2.gz ZMUIBKFCICFVFY-VIFPVBQESA-N 1 2 235.316 1.182 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@H]1C1CC1)CC2 ZINC000679894453 487482991 /nfs/dbraw/zinc/48/29/91/487482991.db2.gz ADBUVLFMDXYDCU-RYUDHWBXSA-N 1 2 245.326 1.580 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccc(C)cn1)CC2 ZINC000679868666 487477664 /nfs/dbraw/zinc/47/76/64/487477664.db2.gz CZLYGSGEOOOOKQ-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C1CC1)CC2 ZINC000679879200 487480222 /nfs/dbraw/zinc/48/02/22/487480222.db2.gz QNIFXNFSHBVPHD-SNVBAGLBSA-N 1 2 248.330 1.515 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000673927322 487480568 /nfs/dbraw/zinc/48/05/68/487480568.db2.gz TVYVRQIXHSXLJJ-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927322 487480573 /nfs/dbraw/zinc/48/05/73/487480573.db2.gz TVYVRQIXHSXLJJ-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)[nH]1 ZINC000673944687 487488196 /nfs/dbraw/zinc/48/81/96/487488196.db2.gz LYHKXSGKXWNIBU-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)OCC1CC1 ZINC000673945418 487488258 /nfs/dbraw/zinc/48/82/58/487488258.db2.gz VQZDROOECIXFMQ-SECBINFHSA-N 1 2 237.303 1.149 20 0 BDADLO FC(F)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000674010043 487497795 /nfs/dbraw/zinc/49/77/95/487497795.db2.gz NSAKHKGFXLGAMM-SNVBAGLBSA-N 1 2 235.274 1.521 20 0 BDADLO COC[C@](C)(CO)[NH2+]Cc1n[nH]c2ccccc21 ZINC000674067357 487508510 /nfs/dbraw/zinc/50/85/10/487508510.db2.gz IURZENWBTWAOPM-ZDUSSCGKSA-N 1 2 249.314 1.050 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cscn1 ZINC000118986580 487519070 /nfs/dbraw/zinc/51/90/70/487519070.db2.gz GUVIIZRBJKDJKG-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3[nH]ncc32)CO1 ZINC000402132143 970763393 /nfs/dbraw/zinc/76/33/93/970763393.db2.gz JQBZZWFAXJQMLA-WCABBAIRSA-N 1 2 221.304 1.554 20 0 BDADLO CC(=O)c1ccn(Cc2ccc(C)[nH+]c2)n1 ZINC000655670544 488153670 /nfs/dbraw/zinc/15/36/70/488153670.db2.gz GQESIHPHGZTNBL-UHFFFAOYSA-N 1 2 215.256 1.837 20 0 BDADLO CCn1c[nH+]cc1CNc1cnoc1C ZINC000417974987 487611975 /nfs/dbraw/zinc/61/19/75/487611975.db2.gz DXTODAWJHUQMDY-UHFFFAOYSA-N 1 2 206.249 1.812 20 0 BDADLO O=C1CC[C@@H](CNc2ccc3ccccc3[nH+]2)N1 ZINC000079932214 487690617 /nfs/dbraw/zinc/69/06/17/487690617.db2.gz JIYNLZXNEFLIBC-NSHDSACASA-N 1 2 241.294 1.925 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC000675640033 487758535 /nfs/dbraw/zinc/75/85/35/487758535.db2.gz MMPVKSFDAWPKLU-QMMMGPOBSA-N 1 2 209.211 1.660 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC000675640033 487758540 /nfs/dbraw/zinc/75/85/40/487758540.db2.gz MMPVKSFDAWPKLU-QMMMGPOBSA-N 1 2 209.211 1.660 20 0 BDADLO Cc1cc(NC(=O)c2ccn(C)c(=O)c2)cc[nH+]1 ZINC000074290861 487998561 /nfs/dbraw/zinc/99/85/61/487998561.db2.gz BBBWVEXGRHDRCY-UHFFFAOYSA-N 1 2 243.266 1.341 20 0 BDADLO Cc1cnc(NC[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000677503340 488054005 /nfs/dbraw/zinc/05/40/05/488054005.db2.gz BXSUKCVIKSJFPQ-NSHDSACASA-N 1 2 231.303 1.730 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccnn2CC2CC2)[C@H]1C ZINC000667639943 488066548 /nfs/dbraw/zinc/06/65/48/488066548.db2.gz GXZFKJMXTLOBQG-RYUDHWBXSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccnn2CC2CC2)[C@H]1C ZINC000667639943 488066551 /nfs/dbraw/zinc/06/65/51/488066551.db2.gz GXZFKJMXTLOBQG-RYUDHWBXSA-N 1 2 249.358 1.902 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1F ZINC000683001187 488083160 /nfs/dbraw/zinc/08/31/60/488083160.db2.gz PUSWAGUVJKMLOO-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1F ZINC000683001187 488083162 /nfs/dbraw/zinc/08/31/62/488083162.db2.gz PUSWAGUVJKMLOO-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000518327692 488142632 /nfs/dbraw/zinc/14/26/32/488142632.db2.gz ATHSLMIWUJZSCU-DGCLKSJQSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000518327692 488142636 /nfs/dbraw/zinc/14/26/36/488142636.db2.gz ATHSLMIWUJZSCU-DGCLKSJQSA-N 1 2 235.331 1.893 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCC1(O)CCC1 ZINC000663999554 488149302 /nfs/dbraw/zinc/14/93/02/488149302.db2.gz KMLQSWMZVQZFIQ-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cscn1 ZINC000657861733 488153793 /nfs/dbraw/zinc/15/37/93/488153793.db2.gz WBUTXDGXKXEKTH-JTQLQIEISA-N 1 2 234.328 1.964 20 0 BDADLO Cc1noc2ncnc(NCc3[nH+]ccn3C)c12 ZINC000669651448 488155272 /nfs/dbraw/zinc/15/52/72/488155272.db2.gz ALTVTRIETLSMBH-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC12CCC2 ZINC000677922166 488157324 /nfs/dbraw/zinc/15/73/24/488157324.db2.gz UPUBLEISCWHBAF-ZJUUUORDSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC12CCC2 ZINC000677922166 488157326 /nfs/dbraw/zinc/15/73/26/488157326.db2.gz UPUBLEISCWHBAF-ZJUUUORDSA-N 1 2 245.326 1.573 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cn2)nn1 ZINC000404435979 488159313 /nfs/dbraw/zinc/15/93/13/488159313.db2.gz FXZWIONMFAFUEN-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO CCc1cc(NCc2cnc(C)o2)nc[nH+]1 ZINC000397924738 488171852 /nfs/dbraw/zinc/17/18/52/488171852.db2.gz RSDMMGBGLLBHAK-UHFFFAOYSA-N 1 2 218.260 1.369 20 0 BDADLO Cc1ccc(NCCc2[nH+]cccc2C)nn1 ZINC000404703435 488175427 /nfs/dbraw/zinc/17/54/27/488175427.db2.gz YFUQHSUICZKSGJ-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO C=C/C(C)=C\CC(=O)NCc1[nH]c[nH+]c1C ZINC000670418405 488184493 /nfs/dbraw/zinc/18/44/93/488184493.db2.gz MGEQKWNBWIQKTO-UITAMQMPSA-N 1 2 219.288 1.857 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nc(C)no2)CO1 ZINC000668050684 488195938 /nfs/dbraw/zinc/19/59/38/488195938.db2.gz XSFKYFHJFVLUSF-FXBDTBDDSA-N 1 2 225.292 1.596 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(C(C)C)C1 ZINC000678096660 488197470 /nfs/dbraw/zinc/19/74/70/488197470.db2.gz KYOFGBDHTZVUDS-UHFFFAOYSA-N 1 2 233.315 1.932 20 0 BDADLO O=C1C[N@H+](Cc2ccccc2C2CC2)CCN1 ZINC000678123013 488200166 /nfs/dbraw/zinc/20/01/66/488200166.db2.gz XKWITMUUSXHRGE-UHFFFAOYSA-N 1 2 230.311 1.496 20 0 BDADLO O=C1C[N@@H+](Cc2ccccc2C2CC2)CCN1 ZINC000678123013 488200169 /nfs/dbraw/zinc/20/01/69/488200169.db2.gz XKWITMUUSXHRGE-UHFFFAOYSA-N 1 2 230.311 1.496 20 0 BDADLO O=C1C[N@H+](Cc2nccc3ccccc32)CCN1 ZINC000678123006 488200655 /nfs/dbraw/zinc/20/06/55/488200655.db2.gz XALXSEOQUBBHFR-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2nccc3ccccc32)CCN1 ZINC000678123006 488200656 /nfs/dbraw/zinc/20/06/56/488200656.db2.gz XALXSEOQUBBHFR-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678120962 488200679 /nfs/dbraw/zinc/20/06/79/488200679.db2.gz MYNSAHVEZBPNPC-NSHDSACASA-N 1 2 249.289 1.430 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678120962 488200682 /nfs/dbraw/zinc/20/06/82/488200682.db2.gz MYNSAHVEZBPNPC-NSHDSACASA-N 1 2 249.289 1.430 20 0 BDADLO CN1CCC2(CC[NH+](CC(F)F)CC2)C1=O ZINC000683674864 488206257 /nfs/dbraw/zinc/20/62/57/488206257.db2.gz AIIIODDUAUHNAB-UHFFFAOYSA-N 1 2 232.274 1.196 20 0 BDADLO Cc1cccn2cc(CN3CCO[C@@H](C)C3)[nH+]c12 ZINC000078344712 488206568 /nfs/dbraw/zinc/20/65/68/488206568.db2.gz LVNTYYGDKSGWSD-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO COc1ccc(N[C@@H](C)c2ccnn2C)[nH+]c1 ZINC000683692346 488207903 /nfs/dbraw/zinc/20/79/03/488207903.db2.gz HOBWVEDALHWODH-VIFPVBQESA-N 1 2 232.287 1.997 20 0 BDADLO C=Cn1cc(C[N@H+](C)CC(=O)N2CCCC2)cn1 ZINC000683696115 488208718 /nfs/dbraw/zinc/20/87/18/488208718.db2.gz DCMVNLFSQQJMGD-UHFFFAOYSA-N 1 2 248.330 1.038 20 0 BDADLO C=Cn1cc(C[N@@H+](C)CC(=O)N2CCCC2)cn1 ZINC000683696115 488208720 /nfs/dbraw/zinc/20/87/20/488208720.db2.gz DCMVNLFSQQJMGD-UHFFFAOYSA-N 1 2 248.330 1.038 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668150733 488209595 /nfs/dbraw/zinc/20/95/95/488209595.db2.gz FWXYQJVOSMEXJT-SNVBAGLBSA-N 1 2 238.335 1.470 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668150733 488209601 /nfs/dbraw/zinc/20/96/01/488209601.db2.gz FWXYQJVOSMEXJT-SNVBAGLBSA-N 1 2 238.335 1.470 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668150732 488209948 /nfs/dbraw/zinc/20/99/48/488209948.db2.gz FWXYQJVOSMEXJT-JTQLQIEISA-N 1 2 238.335 1.470 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000668150732 488209952 /nfs/dbraw/zinc/20/99/52/488209952.db2.gz FWXYQJVOSMEXJT-JTQLQIEISA-N 1 2 238.335 1.470 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(N)=O ZINC000683724319 488213149 /nfs/dbraw/zinc/21/31/49/488213149.db2.gz LBPVXGMZPQLEGY-SECBINFHSA-N 1 2 244.298 1.040 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC[C@H](OC)C1 ZINC000668746634 488218674 /nfs/dbraw/zinc/21/86/74/488218674.db2.gz RUYHKZRAFDUSGW-RYUDHWBXSA-N 1 2 248.326 1.820 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000668192090 488218707 /nfs/dbraw/zinc/21/87/07/488218707.db2.gz UALNUJJILSCIQH-JTQLQIEISA-N 1 2 245.286 1.084 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668192646 488219934 /nfs/dbraw/zinc/21/99/34/488219934.db2.gz JCEKFZCMIDAVIX-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668192646 488219937 /nfs/dbraw/zinc/21/99/37/488219937.db2.gz JCEKFZCMIDAVIX-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnc2cnccn12 ZINC000678266027 488230572 /nfs/dbraw/zinc/23/05/72/488230572.db2.gz JGIWJAHQMVBECD-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnc2cnccn12 ZINC000678266027 488230575 /nfs/dbraw/zinc/23/05/75/488230575.db2.gz JGIWJAHQMVBECD-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2[nH+]ccn2C1 ZINC000683888288 488237186 /nfs/dbraw/zinc/23/71/86/488237186.db2.gz NWBVHNIHGWKDDY-DCQANWLSSA-N 1 2 245.326 1.360 20 0 BDADLO Cn1cnc(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000683898398 488240592 /nfs/dbraw/zinc/24/05/92/488240592.db2.gz ODSMLGIBKXDKHB-UHFFFAOYSA-N 1 2 245.326 1.415 20 0 BDADLO Cn1cnc(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000683898398 488240594 /nfs/dbraw/zinc/24/05/94/488240594.db2.gz ODSMLGIBKXDKHB-UHFFFAOYSA-N 1 2 245.326 1.415 20 0 BDADLO CC(=O)CCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672144744 488240961 /nfs/dbraw/zinc/24/09/61/488240961.db2.gz GRXKPDJAJVYBOQ-NSHDSACASA-N 1 2 249.314 1.073 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672149229 488241606 /nfs/dbraw/zinc/24/16/06/488241606.db2.gz JHNCEABQSBSPKR-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC=CCC1 ZINC000672156848 488242551 /nfs/dbraw/zinc/24/25/51/488242551.db2.gz VTPJHLUWXOQEMT-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO CCc1nc(Nc2cnn(CCO)c2)cc(C)[nH+]1 ZINC000672187872 488243750 /nfs/dbraw/zinc/24/37/50/488243750.db2.gz XLHNCOLWYCZKFP-UHFFFAOYSA-N 1 2 247.302 1.280 20 0 BDADLO CCc1cc(N(C)CCc2cnccn2)nc[nH+]1 ZINC000678407622 488251816 /nfs/dbraw/zinc/25/18/16/488251816.db2.gz IIEGTEGFAHHRCD-UHFFFAOYSA-N 1 2 243.314 1.508 20 0 BDADLO CC(C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC000672739142 488265070 /nfs/dbraw/zinc/26/50/70/488265070.db2.gz DFEFSHYGBBIPHC-UHFFFAOYSA-N 1 2 223.320 1.467 20 0 BDADLO CCc1cc(NC(=O)CCc2[nH]cc[nH+]2)n[nH]1 ZINC000672780029 488266016 /nfs/dbraw/zinc/26/60/16/488266016.db2.gz GWQAPOWDOLZGOA-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1CC=CC1 ZINC000672999507 488271070 /nfs/dbraw/zinc/27/10/70/488271070.db2.gz FGZCFHNAGATEDW-UHFFFAOYSA-N 1 2 205.261 1.177 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000673079231 488274095 /nfs/dbraw/zinc/27/40/95/488274095.db2.gz CAPAXUYVOUFEFS-ZYHUDNBSSA-N 1 2 248.330 1.638 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)C(F)F ZINC000684233695 488280149 /nfs/dbraw/zinc/28/01/49/488280149.db2.gz OFCAFVFZENPKQU-UHFFFAOYSA-N 1 2 243.257 1.977 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@@H]1Nc1cc[nH+]cc1F ZINC000678788078 488283211 /nfs/dbraw/zinc/28/32/11/488283211.db2.gz DJMGNKRFQUTJIY-KGLIPLIRSA-N 1 2 244.269 1.713 20 0 BDADLO CCc1noc(C[NH2+][C@@H](C)c2cccnc2)n1 ZINC000678805299 488285515 /nfs/dbraw/zinc/28/55/15/488285515.db2.gz JWZCQWZQSFRVGQ-VIFPVBQESA-N 1 2 232.287 1.878 20 0 BDADLO O=c1[nH]nc(C[N@H+](CC2CC2)C2CCC2)[nH]1 ZINC000684628049 488335848 /nfs/dbraw/zinc/33/58/48/488335848.db2.gz INBUVOIZOYHBEM-UHFFFAOYSA-N 1 2 222.292 1.275 20 0 BDADLO O=c1[nH]nc(C[N@@H+](CC2CC2)C2CCC2)[nH]1 ZINC000684628049 488335850 /nfs/dbraw/zinc/33/58/50/488335850.db2.gz INBUVOIZOYHBEM-UHFFFAOYSA-N 1 2 222.292 1.275 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccco1 ZINC000673666407 488301432 /nfs/dbraw/zinc/30/14/32/488301432.db2.gz OGTVNPWYDWKANQ-VIFPVBQESA-N 1 2 233.271 1.465 20 0 BDADLO CC[C@H](Nc1cnn(CCO)c1)c1[nH+]ccn1C ZINC000679083032 488306531 /nfs/dbraw/zinc/30/65/31/488306531.db2.gz KJWUNJGVDOMYEL-NSHDSACASA-N 1 2 249.318 1.172 20 0 BDADLO CN(C)c1ncc(C[NH2+]C(C)(C)C(F)F)cn1 ZINC000684413532 488309152 /nfs/dbraw/zinc/30/91/52/488309152.db2.gz NJEJQGABWKHOHR-UHFFFAOYSA-N 1 2 244.289 1.676 20 0 BDADLO O=C(CCC(F)F)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000684464286 488316832 /nfs/dbraw/zinc/31/68/32/488316832.db2.gz OPHMUSIXFCMZEP-ZETCQYMHSA-N 1 2 243.257 1.429 20 0 BDADLO O=C(CCC(F)F)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000684464286 488316834 /nfs/dbraw/zinc/31/68/34/488316834.db2.gz OPHMUSIXFCMZEP-ZETCQYMHSA-N 1 2 243.257 1.429 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C[C@@H]1F ZINC000679220661 488319356 /nfs/dbraw/zinc/31/93/56/488319356.db2.gz IQXLRVUGOZODDW-JQWIXIFHSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C[C@@H]1F ZINC000679220661 488319359 /nfs/dbraw/zinc/31/93/59/488319359.db2.gz IQXLRVUGOZODDW-JQWIXIFHSA-N 1 2 248.305 1.909 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679225715 488321872 /nfs/dbraw/zinc/32/18/72/488321872.db2.gz RBEPDDAAWAHPSS-SDDRHHMPSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679225715 488321874 /nfs/dbraw/zinc/32/18/74/488321874.db2.gz RBEPDDAAWAHPSS-SDDRHHMPSA-N 1 2 244.354 1.827 20 0 BDADLO Cc1nc(N(C)C)nc(NC(C)(C)C(F)F)[nH+]1 ZINC000684595297 488330355 /nfs/dbraw/zinc/33/03/55/488330355.db2.gz ZYWIPXHMSVUBDP-UHFFFAOYSA-N 1 2 245.277 1.702 20 0 BDADLO Cc1nc(NC(C)(C)C(F)F)nc(N(C)C)[nH+]1 ZINC000684595297 488330357 /nfs/dbraw/zinc/33/03/57/488330357.db2.gz ZYWIPXHMSVUBDP-UHFFFAOYSA-N 1 2 245.277 1.702 20 0 BDADLO CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000684834868 488347900 /nfs/dbraw/zinc/34/79/00/488347900.db2.gz YGTKLHVLYDCMGA-JTQLQIEISA-N 1 2 235.331 1.946 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1cn(C)nn1 ZINC000684929471 488353669 /nfs/dbraw/zinc/35/36/69/488353669.db2.gz KLEBHGSHPLOQGZ-UHFFFAOYSA-N 1 2 248.334 1.191 20 0 BDADLO CCc1nn(C)cc1CN(C)Cc1[nH+]ccn1C ZINC000679631553 488360683 /nfs/dbraw/zinc/36/06/83/488360683.db2.gz RGPMSEPBDFVBNM-UHFFFAOYSA-N 1 2 247.346 1.348 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1coc2ccccc12 ZINC000121609751 490103630 /nfs/dbraw/zinc/10/36/30/490103630.db2.gz QGTRSGJGEFNTDD-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO COC[C@H](C)CNc1ccc(OC)c[nH+]1 ZINC000220798521 490143660 /nfs/dbraw/zinc/14/36/60/490143660.db2.gz SZWHEZLVVJLZFB-SECBINFHSA-N 1 2 210.277 1.785 20 0 BDADLO C[C@@H]1C[NH+](CCSc2ncco2)C[C@@H](C)O1 ZINC000566497783 490204438 /nfs/dbraw/zinc/20/44/38/490204438.db2.gz KARWVIXAJYYJNN-NXEZZACHSA-N 1 2 242.344 1.876 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC(F)(F)C1 ZINC000684462465 490226776 /nfs/dbraw/zinc/22/67/76/490226776.db2.gz ZZNLARDRRXVKNB-QMMMGPOBSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC(F)(F)C1 ZINC000684462465 490226780 /nfs/dbraw/zinc/22/67/80/490226780.db2.gz ZZNLARDRRXVKNB-QMMMGPOBSA-N 1 2 243.257 1.646 20 0 BDADLO Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657570364 490285028 /nfs/dbraw/zinc/28/50/28/490285028.db2.gz RVXKQAZXECMOFE-BXKDBHETSA-N 1 2 243.314 1.777 20 0 BDADLO CC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000125345275 490428660 /nfs/dbraw/zinc/42/86/60/490428660.db2.gz WQZKQQPRCDVXDQ-CIUDSAMLSA-N 1 2 207.277 1.633 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncnc2)CCO1 ZINC000125495892 490437455 /nfs/dbraw/zinc/43/74/55/490437455.db2.gz NJWUUBHIPLYRCD-NSHDSACASA-N 1 2 207.277 1.087 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncnc2)CCO1 ZINC000125495892 490437457 /nfs/dbraw/zinc/43/74/57/490437457.db2.gz NJWUUBHIPLYRCD-NSHDSACASA-N 1 2 207.277 1.087 20 0 BDADLO CCCc1cc(NC(=O)Cn2cc[nH+]c2)n[nH]1 ZINC000073516198 490439053 /nfs/dbraw/zinc/43/90/53/490439053.db2.gz GTNKUSHIHPTDBL-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO COc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000074727154 490501260 /nfs/dbraw/zinc/50/12/60/490501260.db2.gz KDCCKTOGTKFSCB-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO COc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000074727154 490501265 /nfs/dbraw/zinc/50/12/65/490501265.db2.gz KDCCKTOGTKFSCB-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO CCCC(C)(C)C(=O)NCC[NH+]1CCOCC1 ZINC000650990645 490681225 /nfs/dbraw/zinc/68/12/25/490681225.db2.gz OKJIFYVHENCGRX-UHFFFAOYSA-N 1 2 242.363 1.261 20 0 BDADLO C[C@@](CO)([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000227212895 491056249 /nfs/dbraw/zinc/05/62/49/491056249.db2.gz BSRMLSQRVWTFTC-ZDUSSCGKSA-N 1 2 231.299 1.407 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1ccccn1 ZINC000169847299 491066061 /nfs/dbraw/zinc/06/60/61/491066061.db2.gz ZMKSUTQHYIZOKL-UHFFFAOYSA-N 1 2 231.259 1.137 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccon1 ZINC000088052507 491094121 /nfs/dbraw/zinc/09/41/21/491094121.db2.gz SKAAADWACIKQBJ-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(C)nc1 ZINC000088591796 491106653 /nfs/dbraw/zinc/10/66/53/491106653.db2.gz PQSFVELKAAJGMS-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cc1C ZINC000088753630 491108302 /nfs/dbraw/zinc/10/83/02/491108302.db2.gz SQSJBUOQVUUUKN-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cc1C ZINC000088753630 491108303 /nfs/dbraw/zinc/10/83/03/491108303.db2.gz SQSJBUOQVUUUKN-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1c[nH+]cn1C ZINC000334631488 491124067 /nfs/dbraw/zinc/12/40/67/491124067.db2.gz NDVDKENNZNOQSX-ZWNOBZJWSA-N 1 2 235.331 1.863 20 0 BDADLO c1ncc(C[N@@H+]2CCOC3(CCCC3)C2)cn1 ZINC000129703225 491125219 /nfs/dbraw/zinc/12/52/19/491125219.db2.gz RXHICDHPVJKJOY-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO c1ncc(C[N@H+]2CCOC3(CCCC3)C2)cn1 ZINC000129703225 491125220 /nfs/dbraw/zinc/12/52/20/491125220.db2.gz RXHICDHPVJKJOY-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO CCc1noc(C)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000675124783 491129102 /nfs/dbraw/zinc/12/91/02/491129102.db2.gz DGQMQDDVZBWBJM-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCc1noc(C)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000675124783 491129103 /nfs/dbraw/zinc/12/91/03/491129103.db2.gz DGQMQDDVZBWBJM-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ncc[nH]1 ZINC000138895964 491129585 /nfs/dbraw/zinc/12/95/85/491129585.db2.gz FZRODPAZSLBBQL-SECBINFHSA-N 1 2 244.298 1.359 20 0 BDADLO COc1cc(C)nc(C[NH2+]Cc2ccno2)c1 ZINC000230973005 491131117 /nfs/dbraw/zinc/13/11/17/491131117.db2.gz ZZZYHCFFOXXDCH-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2ccno2)c1 ZINC000230973005 491131118 /nfs/dbraw/zinc/13/11/18/491131118.db2.gz ZZZYHCFFOXXDCH-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COc1cc(C)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000081275636 491134050 /nfs/dbraw/zinc/13/40/50/491134050.db2.gz LYDLLQDEJYAIFQ-UHFFFAOYSA-N 1 2 245.282 1.839 20 0 BDADLO CCO[C@H]1COCC[C@H]1[NH2+]CC(F)F ZINC000308587768 491137265 /nfs/dbraw/zinc/13/72/65/491137265.db2.gz JAQNHULHOZUJAN-SFYZADRCSA-N 1 2 209.236 1.035 20 0 BDADLO COC[C@H](C[NH2+][C@H](C)c1cn[nH]c1C)OC ZINC000309568969 491151797 /nfs/dbraw/zinc/15/17/97/491151797.db2.gz NASCZPMGIWCMKD-SCZZXKLOSA-N 1 2 227.308 1.030 20 0 BDADLO Cc1nc([C@H](C)[NH2+]Cc2cnnn2C)cs1 ZINC000309743361 491155750 /nfs/dbraw/zinc/15/57/50/491155750.db2.gz DVCTYEUNBQUKEL-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO COc1ccc(N[C@H](C)CC(=O)N(C)C)[nH+]c1 ZINC000310123697 491160450 /nfs/dbraw/zinc/16/04/50/491160450.db2.gz FGAGMHRXXRSIGW-SECBINFHSA-N 1 2 237.303 1.369 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895833 533739683 /nfs/dbraw/zinc/73/96/83/533739683.db2.gz IUXKVUWCCXOAEX-SKRYNEFJSA-N 1 2 247.220 1.880 20 0 BDADLO CC1(C)C(C)(C)C1(C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000891165586 582618281 /nfs/dbraw/zinc/61/82/81/582618281.db2.gz LPXYGQXYOXCQSD-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO CC1(C)C(C)(C)C1(C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000891165586 582618282 /nfs/dbraw/zinc/61/82/82/582618282.db2.gz LPXYGQXYOXCQSD-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CS1 ZINC000493050024 533905458 /nfs/dbraw/zinc/90/54/58/533905458.db2.gz OLMVPKJUKZGRIR-DWNUIHGBSA-N 1 2 237.328 1.433 20 0 BDADLO CS[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493383364 533910523 /nfs/dbraw/zinc/91/05/23/533910523.db2.gz JUHCTNVOFJKTLC-VEMNSZJBSA-N 1 2 225.317 1.291 20 0 BDADLO CCOCC[N@H+](CC)Cc1cn(C(C)C)nn1 ZINC000347840083 535584557 /nfs/dbraw/zinc/58/45/57/535584557.db2.gz DMZAHZQFDMREKL-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cn(C(C)C)nn1 ZINC000347840083 535584564 /nfs/dbraw/zinc/58/45/64/535584564.db2.gz DMZAHZQFDMREKL-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO COC(=O)N1CC[NH+](Cc2cnccc2C)CC1 ZINC000493974325 534005140 /nfs/dbraw/zinc/00/51/40/534005140.db2.gz JGYKAAILQYNLIS-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO COc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492771527 534027323 /nfs/dbraw/zinc/02/73/23/534027323.db2.gz SFPZLACNLGVGBG-RQOWECAXSA-N 1 2 244.254 1.465 20 0 BDADLO C[C@H]1CSCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493068253 534063459 /nfs/dbraw/zinc/06/34/59/534063459.db2.gz CRVCITIYXJYTHJ-HPOULIHZSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H]1C[C@@H](CO)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492983470 534084608 /nfs/dbraw/zinc/08/46/08/534084608.db2.gz MFDKQXKKJRUWQQ-NPRAVPSUSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856922 534142350 /nfs/dbraw/zinc/14/23/50/534142350.db2.gz CUANPFVBMMTHTO-GMCFVEKCSA-N 1 2 219.288 1.822 20 0 BDADLO CC[C@@H]1COCCN1c1cc[nH+]c(C2CC2)n1 ZINC000115522086 535837081 /nfs/dbraw/zinc/83/70/81/535837081.db2.gz OTEUAXKAFZXQNM-LLVKDONJSA-N 1 2 233.315 1.969 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000493456154 534158549 /nfs/dbraw/zinc/15/85/49/534158549.db2.gz OMRKIDMGVNHUJG-PMEPJVLUSA-N 1 2 235.287 1.107 20 0 BDADLO CC[C@H](NC(=O)c1cc[nH]c1C)c1[nH]cc[nH+]1 ZINC000347942473 535870055 /nfs/dbraw/zinc/87/00/55/535870055.db2.gz CVVLBZGHQFWSRM-JTQLQIEISA-N 1 2 232.287 1.927 20 0 BDADLO CCn1nccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000350341598 535875113 /nfs/dbraw/zinc/87/51/13/535875113.db2.gz KFFXUZKJKHLDIT-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c(C)n1 ZINC000892048348 582772706 /nfs/dbraw/zinc/77/27/06/582772706.db2.gz KBBRSDWXXVRVLJ-NWDGAFQWSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c(C)n1 ZINC000892048348 582772708 /nfs/dbraw/zinc/77/27/08/582772708.db2.gz KBBRSDWXXVRVLJ-NWDGAFQWSA-N 1 2 237.347 1.821 20 0 BDADLO Cc1noc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493362945 534369020 /nfs/dbraw/zinc/36/90/20/534369020.db2.gz ZQGHIWRGIGYLGJ-ARJAWSKDSA-N 1 2 232.243 1.666 20 0 BDADLO Cc1nc(N(CC(C)C)C2CC2)nc(N(C)C)[nH+]1 ZINC000488396808 534435348 /nfs/dbraw/zinc/43/53/48/534435348.db2.gz LSQXALLHMNEXDF-UHFFFAOYSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(CC(C)C)C2CC2)[nH+]1 ZINC000488396808 534435360 /nfs/dbraw/zinc/43/53/60/534435360.db2.gz LSQXALLHMNEXDF-UHFFFAOYSA-N 1 2 249.362 1.871 20 0 BDADLO CC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301221000 534485554 /nfs/dbraw/zinc/48/55/54/534485554.db2.gz AFEUBESTAFZSQZ-GFCCVEGCSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000266453638 534486725 /nfs/dbraw/zinc/48/67/25/534486725.db2.gz XRJCFOXUALHKFQ-GFCCVEGCSA-N 1 2 248.330 1.138 20 0 BDADLO CC(C)(C)N1CC[C@H](Nc2cccc[nH+]2)C1=O ZINC000335382184 534667472 /nfs/dbraw/zinc/66/74/72/534667472.db2.gz ZKZVGUBARYLBHI-JTQLQIEISA-N 1 2 233.315 1.893 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccn(C)c1 ZINC000493431997 534719137 /nfs/dbraw/zinc/71/91/37/534719137.db2.gz LPBVPFBCNGCRJJ-ARJAWSKDSA-N 1 2 244.298 1.386 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cncs1 ZINC000493819049 534719316 /nfs/dbraw/zinc/71/93/16/534719316.db2.gz JOAPIWDXKVCYSS-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)OCC1CC1 ZINC000495905372 534789215 /nfs/dbraw/zinc/78/92/15/534789215.db2.gz MQJKMWZEZHNGFW-UHFFFAOYSA-N 1 2 209.249 1.056 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H]1C1CC1 ZINC000493728413 534786661 /nfs/dbraw/zinc/78/66/61/534786661.db2.gz UODQBMIDBYCHDB-HMDXOVGESA-N 1 2 217.272 1.434 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CCCO ZINC000492815508 534800768 /nfs/dbraw/zinc/80/07/68/534800768.db2.gz XJIQLDFFGYBJFZ-FOQNGQEVSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N(CCCCO)C1CC1 ZINC000493482257 534801521 /nfs/dbraw/zinc/80/15/21/534801521.db2.gz NBYSUZVWYXRVDU-UTCJRWHESA-N 1 2 249.314 1.186 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000335731724 536472681 /nfs/dbraw/zinc/47/26/81/536472681.db2.gz AKMBMJPVYGDQCN-IONNQARKSA-N 1 2 219.231 1.137 20 0 BDADLO COC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000335731724 536472684 /nfs/dbraw/zinc/47/26/84/536472684.db2.gz AKMBMJPVYGDQCN-IONNQARKSA-N 1 2 219.231 1.137 20 0 BDADLO C=C=CCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493482195 526914820 /nfs/dbraw/zinc/91/48/20/526914820.db2.gz ISKIOFGZUSVQKS-SREVYHEPSA-N 1 2 217.272 1.374 20 0 BDADLO CC(C)(CF)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812141 527064537 /nfs/dbraw/zinc/06/45/37/527064537.db2.gz MBKVVRXXRNUTIN-ARJAWSKDSA-N 1 2 211.240 1.287 20 0 BDADLO C/C=C(/C=C\C(=O)NCCc1c[nH+]cn1C)CC ZINC000492668685 527560476 /nfs/dbraw/zinc/56/04/76/527560476.db2.gz CMEOSWHIRNYNIO-WLWVQNKQSA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)C1(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493252493 527617296 /nfs/dbraw/zinc/61/72/96/527617296.db2.gz JUOWUUCLUYXFLC-ARJAWSKDSA-N 1 2 219.288 1.728 20 0 BDADLO CCC1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493019564 527871052 /nfs/dbraw/zinc/87/10/52/527871052.db2.gz KEVIXMZEQRESBE-ONEGZZNKSA-N 1 2 205.261 1.291 20 0 BDADLO CCC[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000492830585 527959688 /nfs/dbraw/zinc/95/96/88/527959688.db2.gz CUZGFJRTYGDFMT-DHCBQETCSA-N 1 2 249.314 1.498 20 0 BDADLO CCN(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492814921 527968584 /nfs/dbraw/zinc/96/85/84/527968584.db2.gz VPWJYKZKWDYNFC-ARJAWSKDSA-N 1 2 229.230 1.537 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493778002 527980454 /nfs/dbraw/zinc/98/04/54/527980454.db2.gz BEHXKACEOOXQBT-FVKZJRLBSA-N 1 2 233.315 1.974 20 0 BDADLO CC1(F)CC(NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493116522 528011954 /nfs/dbraw/zinc/01/19/54/528011954.db2.gz JQSADZKTGWZRDF-NSCUHMNNSA-N 1 2 223.251 1.430 20 0 BDADLO COC1(C(=O)Nc2cc[nH+]c(C)c2)CCCC1 ZINC000335694282 536526812 /nfs/dbraw/zinc/52/68/12/536526812.db2.gz BGTIABPBZIYZCP-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO CCCCN(CCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811347 528419749 /nfs/dbraw/zinc/41/97/49/528419749.db2.gz KIJRZJHSGLONCL-PLNGDYQASA-N 1 2 237.303 1.044 20 0 BDADLO CCO/C=C/C(=O)Nc1ccc[nH+]c1N(C)C ZINC000493527499 528501401 /nfs/dbraw/zinc/50/14/01/528501401.db2.gz OVVVXUTZLUORHG-VQHVLOKHSA-N 1 2 235.287 1.636 20 0 BDADLO CCO/C=C/C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000493612355 528501643 /nfs/dbraw/zinc/50/16/43/528501643.db2.gz DWDVLQYOBYLKIO-SOFGYWHQSA-N 1 2 235.287 1.708 20 0 BDADLO CCOC1CC(N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493271677 528506213 /nfs/dbraw/zinc/50/62/13/528506213.db2.gz MNIYIYDCUWSTCV-PLNGDYQASA-N 1 2 249.314 1.449 20 0 BDADLO CCO/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000493698754 528531495 /nfs/dbraw/zinc/53/14/95/528531495.db2.gz UWDZFHITFSTKMH-MBACFSSFSA-N 1 2 237.303 1.630 20 0 BDADLO CCOCCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493108571 528646263 /nfs/dbraw/zinc/64/62/63/528646263.db2.gz SLVMTOGJSWUICE-AATRIKPKSA-N 1 2 237.303 1.356 20 0 BDADLO CCOC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494261947 528728590 /nfs/dbraw/zinc/72/85/90/528728590.db2.gz KCQFDIVILSVPDX-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO CCOC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494261947 528728592 /nfs/dbraw/zinc/72/85/92/528728592.db2.gz KCQFDIVILSVPDX-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000493683154 528907577 /nfs/dbraw/zinc/90/75/77/528907577.db2.gz FFIPCUHNPRFUGF-FSIBCCDJSA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000492859250 529040124 /nfs/dbraw/zinc/04/01/24/529040124.db2.gz GLPKHJSOCINYRC-DLRQAJBASA-N 1 2 249.314 1.497 20 0 BDADLO CCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360632035 534934639 /nfs/dbraw/zinc/93/46/39/534934639.db2.gz HGONCDSGFGHMHV-UHFFFAOYSA-N 1 2 236.290 1.884 20 0 BDADLO CCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360632035 534934648 /nfs/dbraw/zinc/93/46/48/534934648.db2.gz HGONCDSGFGHMHV-UHFFFAOYSA-N 1 2 236.290 1.884 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336043940 534971290 /nfs/dbraw/zinc/97/12/90/534971290.db2.gz ORXLOGPRLZIFMG-UWVGGRQHSA-N 1 2 235.331 1.990 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000336043940 534971297 /nfs/dbraw/zinc/97/12/97/534971297.db2.gz ORXLOGPRLZIFMG-UWVGGRQHSA-N 1 2 235.331 1.990 20 0 BDADLO CCCCc1noc(C[N@H+](CC)CCCO)n1 ZINC000135424852 535119351 /nfs/dbraw/zinc/11/93/51/535119351.db2.gz JPHCAANFXMEBAC-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCc1noc(C[N@@H+](CC)CCCO)n1 ZINC000135424852 535119357 /nfs/dbraw/zinc/11/93/57/535119357.db2.gz JPHCAANFXMEBAC-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335560363 535158381 /nfs/dbraw/zinc/15/83/81/535158381.db2.gz UEQFACNEISVHMC-NEPJUHHUSA-N 1 2 249.358 1.948 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)[C@H]1[C@H]1CCCO1 ZINC000351983628 535356220 /nfs/dbraw/zinc/35/62/20/535356220.db2.gz USVWPWMIDQETAR-YPMHNXCESA-N 1 2 247.342 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)[C@H]1[C@H]1CCCO1 ZINC000351983628 535356223 /nfs/dbraw/zinc/35/62/23/535356223.db2.gz USVWPWMIDQETAR-YPMHNXCESA-N 1 2 247.342 1.866 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345687968 535491857 /nfs/dbraw/zinc/49/18/57/535491857.db2.gz HVQAIWPGQKCPSQ-BDAKNGLRSA-N 1 2 234.290 1.488 20 0 BDADLO CCC[C@H](C)C[N@@H+]1CCOC[C@H]1C(=O)OC ZINC000252731974 535612154 /nfs/dbraw/zinc/61/21/54/535612154.db2.gz SMASNMCVVURMPN-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO CCC[C@H](C)C[N@H+]1CCOC[C@H]1C(=O)OC ZINC000252731974 535612160 /nfs/dbraw/zinc/61/21/60/535612160.db2.gz SMASNMCVVURMPN-QWRGUYRKSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000359580955 535924249 /nfs/dbraw/zinc/92/42/49/535924249.db2.gz MFSCKJXZQWQYFR-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000359580955 535924251 /nfs/dbraw/zinc/92/42/51/535924251.db2.gz MFSCKJXZQWQYFR-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO COC(=O)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000259291372 536307751 /nfs/dbraw/zinc/30/77/51/536307751.db2.gz CYYWZASEWFIHGF-MRVPVSSYSA-N 1 2 209.249 1.149 20 0 BDADLO CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178077974 536314372 /nfs/dbraw/zinc/31/43/72/536314372.db2.gz RBQBXBNIFJUHRR-SNVBAGLBSA-N 1 2 236.319 1.014 20 0 BDADLO C[N@H+](CCCCCO)Cc1noc(C2CC2)n1 ZINC000227115435 536333360 /nfs/dbraw/zinc/33/33/60/536333360.db2.gz QZVMZHPJDJLQSC-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO C[N@@H+](CCCCCO)Cc1noc(C2CC2)n1 ZINC000227115435 536333363 /nfs/dbraw/zinc/33/33/63/536333363.db2.gz QZVMZHPJDJLQSC-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO COC(=O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000076065993 536471763 /nfs/dbraw/zinc/47/17/63/536471763.db2.gz MRERWJNFBJZLEQ-SECBINFHSA-N 1 2 217.334 1.233 20 0 BDADLO COC(=O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000076065993 536471760 /nfs/dbraw/zinc/47/17/60/536471760.db2.gz MRERWJNFBJZLEQ-SECBINFHSA-N 1 2 217.334 1.233 20 0 BDADLO COC1(C)CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000351598632 536566742 /nfs/dbraw/zinc/56/67/42/536566742.db2.gz WKLRJOTWAMODKS-SECBINFHSA-N 1 2 239.319 1.940 20 0 BDADLO COc1cc(C)nc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000345651034 536699660 /nfs/dbraw/zinc/69/96/60/536699660.db2.gz AGCSPMMBPNIWCI-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO C[C@@H](NCc1nccs1)c1[nH]cc[nH+]1 ZINC000124677375 566307051 /nfs/dbraw/zinc/30/70/51/566307051.db2.gz GSIVQJUEMPTTKK-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO CCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650986986 566333466 /nfs/dbraw/zinc/33/34/66/566333466.db2.gz LSHVOSXKKYWHJV-UHFFFAOYSA-N 1 2 235.331 1.678 20 0 BDADLO CCc1cnc(C[N@@H+]2CCCOCC2)s1 ZINC000335323702 566389745 /nfs/dbraw/zinc/38/97/45/566389745.db2.gz QXUHWDRTDCNIBD-UHFFFAOYSA-N 1 2 226.345 1.928 20 0 BDADLO CCc1cnc(C[N@H+]2CCCOCC2)s1 ZINC000335323702 566389750 /nfs/dbraw/zinc/38/97/50/566389750.db2.gz QXUHWDRTDCNIBD-UHFFFAOYSA-N 1 2 226.345 1.928 20 0 BDADLO COC(=O)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000125820549 566433204 /nfs/dbraw/zinc/43/32/04/566433204.db2.gz CMKGEFDCHILEHS-UHFFFAOYSA-N 1 2 249.310 1.703 20 0 BDADLO CCOC[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893269305 583081233 /nfs/dbraw/zinc/08/12/33/583081233.db2.gz NJURLBIRHDQBEY-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO CCOC[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893269305 583081234 /nfs/dbraw/zinc/08/12/34/583081234.db2.gz NJURLBIRHDQBEY-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO C[NH+]1CC(Oc2ccc(C(N)=S)cc2)C1 ZINC001226653862 974997968 /nfs/dbraw/zinc/99/79/68/974997968.db2.gz REUYYCPWEZGBPV-UHFFFAOYSA-N 1 2 222.313 1.014 20 0 BDADLO CC[C@@H](C)NC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853044363 588717512 /nfs/dbraw/zinc/71/75/12/588717512.db2.gz IDHBGCJFTRNNQM-RKDXNWHRSA-N 1 2 240.376 1.744 20 0 BDADLO CC(C)CNC(=S)N[C@H](C)c1[nH+]ccn1C ZINC000853045559 588717516 /nfs/dbraw/zinc/71/75/16/588717516.db2.gz VROUGNZVZPPSII-SECBINFHSA-N 1 2 240.376 1.601 20 0 BDADLO C[C@H](NC(=S)NC1CCC1)c1[nH+]ccn1C ZINC000853045572 588717559 /nfs/dbraw/zinc/71/75/59/588717559.db2.gz VYIKMSNVIPBOOK-QMMMGPOBSA-N 1 2 238.360 1.498 20 0 BDADLO CCOC1(C)C[NH+](C[C@H](O)c2ccccn2)C1 ZINC000853063518 588718491 /nfs/dbraw/zinc/71/84/91/588718491.db2.gz CAOHILZMKHDKRA-LBPRGKRZSA-N 1 2 236.315 1.226 20 0 BDADLO Cc1ccc(SCC[NH+]2CCOCC2)nn1 ZINC000853123541 588721660 /nfs/dbraw/zinc/72/16/60/588721660.db2.gz VPBMOLVKUYZDHA-UHFFFAOYSA-N 1 2 239.344 1.209 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1cc(F)ncn1)CC2 ZINC000853474564 588745019 /nfs/dbraw/zinc/74/50/19/588745019.db2.gz XBQFHZJJMCLLOG-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c(=O)o1 ZINC000853489536 588745693 /nfs/dbraw/zinc/74/56/93/588745693.db2.gz RKNNHWORMSRSHT-MRVPVSSYSA-N 1 2 213.281 1.079 20 0 BDADLO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)c(=O)o1 ZINC000853489536 588745694 /nfs/dbraw/zinc/74/56/94/588745694.db2.gz RKNNHWORMSRSHT-MRVPVSSYSA-N 1 2 213.281 1.079 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@H](C)C(C)(C)C2)c(=O)o1 ZINC000853506815 588746702 /nfs/dbraw/zinc/74/67/02/588746702.db2.gz RHWCIJGRWAXSQA-VIFPVBQESA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c(=O)o1 ZINC000853506815 588746703 /nfs/dbraw/zinc/74/67/03/588746703.db2.gz RHWCIJGRWAXSQA-VIFPVBQESA-N 1 2 239.319 1.470 20 0 BDADLO CC[N@H+](CCC1CC1)Cn1nc(C)oc1=O ZINC000853507359 588746817 /nfs/dbraw/zinc/74/68/17/588746817.db2.gz XCXUTLNYBRXDBA-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO CC[N@@H+](CCC1CC1)Cn1nc(C)oc1=O ZINC000853507359 588746818 /nfs/dbraw/zinc/74/68/18/588746818.db2.gz XCXUTLNYBRXDBA-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c(=O)o1 ZINC000853513806 588747010 /nfs/dbraw/zinc/74/70/10/588747010.db2.gz DIZXIFCXIAXKFU-NSHDSACASA-N 1 2 237.303 1.224 20 0 BDADLO Cc1nn(C[N@H+]2CCC[C@H](C3CC3)C2)c(=O)o1 ZINC000853513806 588747011 /nfs/dbraw/zinc/74/70/11/588747011.db2.gz DIZXIFCXIAXKFU-NSHDSACASA-N 1 2 237.303 1.224 20 0 BDADLO C[N@@H+](CC1=CCSC1)Cn1ccsc1=O ZINC000853620567 588750399 /nfs/dbraw/zinc/75/03/99/588750399.db2.gz VNQIHDLEQSGPHQ-UHFFFAOYSA-N 1 2 242.369 1.472 20 0 BDADLO C[N@H+](CC1=CCSC1)Cn1ccsc1=O ZINC000853620567 588750400 /nfs/dbraw/zinc/75/04/00/588750400.db2.gz VNQIHDLEQSGPHQ-UHFFFAOYSA-N 1 2 242.369 1.472 20 0 BDADLO Cc1nn(C[NH+](CC2CC2)CC2CC2)c(=O)o1 ZINC000853496523 588746333 /nfs/dbraw/zinc/74/63/33/588746333.db2.gz HRXNTPNCRSKQEA-UHFFFAOYSA-N 1 2 237.303 1.224 20 0 BDADLO CCC[C@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501012 588746412 /nfs/dbraw/zinc/74/64/12/588746412.db2.gz BYHYDTMXKUPSNL-NSHDSACASA-N 1 2 239.319 1.614 20 0 BDADLO CCC[C@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501012 588746413 /nfs/dbraw/zinc/74/64/13/588746413.db2.gz BYHYDTMXKUPSNL-NSHDSACASA-N 1 2 239.319 1.614 20 0 BDADLO CC1=NO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000853660424 588753241 /nfs/dbraw/zinc/75/32/41/588753241.db2.gz FJHPXLJFZVTFGP-SECBINFHSA-N 1 2 206.249 1.362 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(F)ncn2)c2[nH+]ccn21 ZINC000853668417 588754088 /nfs/dbraw/zinc/75/40/88/588754088.db2.gz MUYMSUYLLSWMFR-SFYZADRCSA-N 1 2 233.250 1.930 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(F)ncn2)c2[nH+]ccn21 ZINC000853668415 588754101 /nfs/dbraw/zinc/75/41/01/588754101.db2.gz MUYMSUYLLSWMFR-HTQZYQBOSA-N 1 2 233.250 1.930 20 0 BDADLO Cn1c[nH+]c(CCNc2cnc(F)cn2)c1 ZINC000853681095 588755592 /nfs/dbraw/zinc/75/55/92/588755592.db2.gz QBSCHCANJAWNEG-UHFFFAOYSA-N 1 2 221.239 1.004 20 0 BDADLO c1cc(NC[C@H]2COCO2)nc(C2CC2)[nH+]1 ZINC000853687746 588756631 /nfs/dbraw/zinc/75/66/31/588756631.db2.gz ZRGSDIGGFLAAAB-VIFPVBQESA-N 1 2 221.260 1.139 20 0 BDADLO CCCCCO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742516 588760751 /nfs/dbraw/zinc/76/07/51/588760751.db2.gz SKKJZKUVUGAKDD-UHFFFAOYSA-N 1 2 244.335 1.871 20 0 BDADLO Cc1nc(N2CCC3=C(CCC(=O)N3)C2)cc[nH+]1 ZINC000853745563 588761029 /nfs/dbraw/zinc/76/10/29/588761029.db2.gz DMUGVUWDEZAPSK-UHFFFAOYSA-N 1 2 244.298 1.159 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@]1(C)CC1(C)C ZINC000854066853 588772766 /nfs/dbraw/zinc/77/27/66/588772766.db2.gz HRXYLPYIOIFYFP-GFCCVEGCSA-N 1 2 236.319 1.408 20 0 BDADLO c1[nH]cc(-c2cnn([C@@H]3CCCCO3)c2)[nH+]1 ZINC000854206799 588779424 /nfs/dbraw/zinc/77/94/24/588779424.db2.gz ANBHEALOMHHNPE-NSHDSACASA-N 1 2 218.260 1.972 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]2C[C@@H]21 ZINC000854423030 588786384 /nfs/dbraw/zinc/78/63/84/588786384.db2.gz ZOQXCVRITXTAMH-BREBYQMCSA-N 1 2 245.326 1.526 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]2C[C@@H]21 ZINC000854423030 588786385 /nfs/dbraw/zinc/78/63/85/588786385.db2.gz ZOQXCVRITXTAMH-BREBYQMCSA-N 1 2 245.326 1.526 20 0 BDADLO C[N@@H+]1CC[C@@H](C(=O)NOc2ccccc2)C1 ZINC000854536973 588791786 /nfs/dbraw/zinc/79/17/86/588791786.db2.gz LLPPPLFLVGZTBB-SNVBAGLBSA-N 1 2 220.272 1.048 20 0 BDADLO C[N@H+]1CC[C@@H](C(=O)NOc2ccccc2)C1 ZINC000854536973 588791787 /nfs/dbraw/zinc/79/17/87/588791787.db2.gz LLPPPLFLVGZTBB-SNVBAGLBSA-N 1 2 220.272 1.048 20 0 BDADLO C[C@@H](NC(=O)[C@@](C)(O)C1CCC1)c1[nH]cc[nH+]1 ZINC000854594299 588796375 /nfs/dbraw/zinc/79/63/75/588796375.db2.gz IMYYSLODTJLUHH-PELKAZGASA-N 1 2 237.303 1.138 20 0 BDADLO CC1(C)CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854669209 588800330 /nfs/dbraw/zinc/80/03/30/588800330.db2.gz GXMJYLZMJXOXIE-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO CC(F)(F)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854680772 588800998 /nfs/dbraw/zinc/80/09/98/588800998.db2.gz PKVZAOAJZMNGAK-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000854685242 588801310 /nfs/dbraw/zinc/80/13/10/588801310.db2.gz JTSMAWWMEQBIJJ-IRCOFANPSA-N 1 2 245.326 1.880 20 0 BDADLO C[C@@H](CC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854900642 588816168 /nfs/dbraw/zinc/81/61/68/588816168.db2.gz RNUCEBKSISFTNL-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CC1(C)C ZINC000854955327 588818781 /nfs/dbraw/zinc/81/87/81/588818781.db2.gz RNOXABFAQYJWJQ-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854955497 588818857 /nfs/dbraw/zinc/81/88/57/588818857.db2.gz YVKHWOHEPQSYFS-KXUCPTDWSA-N 1 2 221.304 1.455 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000855061911 588821948 /nfs/dbraw/zinc/82/19/48/588821948.db2.gz SIJBROMUGJDARP-UWVGGRQHSA-N 1 2 219.288 1.353 20 0 BDADLO C/C(=C\C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000855134471 588822744 /nfs/dbraw/zinc/82/27/44/588822744.db2.gz PGUVOMOYGIBNKT-WEVVVXLNSA-N 1 2 219.288 1.724 20 0 BDADLO C/C(=C\C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000855134471 588822745 /nfs/dbraw/zinc/82/27/45/588822745.db2.gz PGUVOMOYGIBNKT-WEVVVXLNSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C)CCCCO1 ZINC000855135110 588822844 /nfs/dbraw/zinc/82/28/44/588822844.db2.gz GBIKCKGASQVKMK-GFCCVEGCSA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)CCCCO1 ZINC000855135110 588822845 /nfs/dbraw/zinc/82/28/45/588822845.db2.gz GBIKCKGASQVKMK-GFCCVEGCSA-N 1 2 237.303 1.327 20 0 BDADLO CCCCC[C@@H](O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135347 588823537 /nfs/dbraw/zinc/82/35/37/588823537.db2.gz KDOJXWYXJHWYAY-LLVKDONJSA-N 1 2 239.319 1.309 20 0 BDADLO CCCCC[C@@H](O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135347 588823538 /nfs/dbraw/zinc/82/35/38/588823538.db2.gz KDOJXWYXJHWYAY-LLVKDONJSA-N 1 2 239.319 1.309 20 0 BDADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccn1 ZINC000855181553 588825740 /nfs/dbraw/zinc/82/57/40/588825740.db2.gz YKUYUUCSARIFRL-JTQLQIEISA-N 1 2 244.298 1.267 20 0 BDADLO C[C@H]1C[N@H+](CN2CCCC2=O)CC(C)(C)O1 ZINC000113242341 588828055 /nfs/dbraw/zinc/82/80/55/588828055.db2.gz ODSRZMQIGILECR-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCCC2=O)CC(C)(C)O1 ZINC000113242341 588828056 /nfs/dbraw/zinc/82/80/56/588828056.db2.gz ODSRZMQIGILECR-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO C[C@@H]1CC(=O)N(C[NH+]2Cc3ccccc3C2)C1 ZINC000113245095 588828157 /nfs/dbraw/zinc/82/81/57/588828157.db2.gz QZZWHMVKOLGHHD-LLVKDONJSA-N 1 2 230.311 1.828 20 0 BDADLO CCC(C)(C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855365308 588829546 /nfs/dbraw/zinc/82/95/46/588829546.db2.gz NCLJAMKKRIHCQE-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO Fc1cc(C[N@@H+]2CCn3cncc3C2)ccn1 ZINC000859310162 582488309 /nfs/dbraw/zinc/48/83/09/582488309.db2.gz JVAAFCBTVXEVMR-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cc(C[N@H+]2CCn3cncc3C2)ccn1 ZINC000859310162 582488310 /nfs/dbraw/zinc/48/83/10/582488310.db2.gz JVAAFCBTVXEVMR-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccns1 ZINC000860061963 582500516 /nfs/dbraw/zinc/50/05/16/582500516.db2.gz PHMZLAGMTHVTPC-YUMQZZPRSA-N 1 2 249.343 1.927 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1nccc(N)n1 ZINC000860061961 582500906 /nfs/dbraw/zinc/50/09/06/582500906.db2.gz PHMZLAGMTHVTPC-JGVFFNPUSA-N 1 2 249.343 1.927 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000890765279 582541757 /nfs/dbraw/zinc/54/17/57/582541757.db2.gz SCMIJICZZKFKNK-DDHJBXDOSA-N 1 2 245.326 1.984 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000890765279 582541758 /nfs/dbraw/zinc/54/17/58/582541758.db2.gz SCMIJICZZKFKNK-DDHJBXDOSA-N 1 2 245.326 1.984 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000812622644 582558584 /nfs/dbraw/zinc/55/85/84/582558584.db2.gz AWTRKULXDCIWGF-WDEREUQCSA-N 1 2 240.303 1.345 20 0 BDADLO Cc1ncccc1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000890831242 582577512 /nfs/dbraw/zinc/57/75/12/582577512.db2.gz KPTODULAQSDYOK-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO COC(=O)C[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000609137182 582599542 /nfs/dbraw/zinc/59/95/42/582599542.db2.gz MIQDSUFHADKBCA-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO COC(=O)C[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000609137182 582599545 /nfs/dbraw/zinc/59/95/45/582599545.db2.gz MIQDSUFHADKBCA-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H](C)CO2)c[nH+]1 ZINC000891369843 582672367 /nfs/dbraw/zinc/67/23/67/582672367.db2.gz GNDVWEHUJPOYFB-NOZJJQNGSA-N 1 2 248.326 1.740 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1COC2(CCC2)C1 ZINC000855660119 588844007 /nfs/dbraw/zinc/84/40/07/588844007.db2.gz RTCKTSQRDJCERL-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1COC2(CCC2)C1 ZINC000855660119 588844008 /nfs/dbraw/zinc/84/40/08/588844008.db2.gz RTCKTSQRDJCERL-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO CCOc1ccc(C[N@H+](C)CC(=O)N(C)C)o1 ZINC000891494233 582692983 /nfs/dbraw/zinc/69/29/83/582692983.db2.gz ASHYNSFEAUVJBU-UHFFFAOYSA-N 1 2 240.303 1.198 20 0 BDADLO CCOc1ccc(C[N@@H+](C)CC(=O)N(C)C)o1 ZINC000891494233 582692986 /nfs/dbraw/zinc/69/29/86/582692986.db2.gz ASHYNSFEAUVJBU-UHFFFAOYSA-N 1 2 240.303 1.198 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000891508452 582694266 /nfs/dbraw/zinc/69/42/66/582694266.db2.gz DDCYXHFSLYJBJA-UHFFFAOYSA-N 1 2 235.287 1.654 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000891508452 582694267 /nfs/dbraw/zinc/69/42/67/582694267.db2.gz DDCYXHFSLYJBJA-UHFFFAOYSA-N 1 2 235.287 1.654 20 0 BDADLO CC(C)NC(=O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000891582604 582699154 /nfs/dbraw/zinc/69/91/54/582699154.db2.gz FFXJOZWNQGVZPR-VIFPVBQESA-N 1 2 237.303 1.071 20 0 BDADLO CCOC(=O)CN(C)Cc1[nH+]ccn1C1CC1 ZINC000891581058 582700009 /nfs/dbraw/zinc/70/00/09/582700009.db2.gz SXDVVCWWKUKDRS-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000891671203 582708232 /nfs/dbraw/zinc/70/82/32/582708232.db2.gz MYLAVLDINUQINJ-MNOVXSKESA-N 1 2 249.358 1.518 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000891671203 582708233 /nfs/dbraw/zinc/70/82/33/582708233.db2.gz MYLAVLDINUQINJ-MNOVXSKESA-N 1 2 249.358 1.518 20 0 BDADLO CCn1cnnc1CNc1cccc([C@@H](C)O)[nH+]1 ZINC000891850295 582729672 /nfs/dbraw/zinc/72/96/72/582729672.db2.gz PWFLCYXJIDFROQ-SECBINFHSA-N 1 2 247.302 1.358 20 0 BDADLO CCn1cnnc1CNc1cccc([C@H](C)O)[nH+]1 ZINC000891850297 582729854 /nfs/dbraw/zinc/72/98/54/582729854.db2.gz PWFLCYXJIDFROQ-VIFPVBQESA-N 1 2 247.302 1.358 20 0 BDADLO COCCCCNc1cc(N(C)C)nc[nH+]1 ZINC000891849908 582729883 /nfs/dbraw/zinc/72/98/83/582729883.db2.gz LKWUCEFTADNCQP-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO COCCCCNc1cc(N(C)C)[nH+]cn1 ZINC000891849908 582729884 /nfs/dbraw/zinc/72/98/84/582729884.db2.gz LKWUCEFTADNCQP-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO Cc1ccc(CNc2cc(N(C)C)nc[nH+]2)cn1 ZINC000891870936 582732867 /nfs/dbraw/zinc/73/28/67/582732867.db2.gz GHONFZVQHDHGFD-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1ccc(CNc2cc(N(C)C)[nH+]cn2)cn1 ZINC000891870936 582732868 /nfs/dbraw/zinc/73/28/68/582732868.db2.gz GHONFZVQHDHGFD-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCC1CCC1 ZINC000855801738 588849122 /nfs/dbraw/zinc/84/91/22/588849122.db2.gz WDRNNOUOKQSDKA-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000892055791 582778419 /nfs/dbraw/zinc/77/84/19/582778419.db2.gz LPBPBMMJVZQSRS-AOOOYVTPSA-N 1 2 223.272 1.651 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000892055791 582778422 /nfs/dbraw/zinc/77/84/22/582778422.db2.gz LPBPBMMJVZQSRS-AOOOYVTPSA-N 1 2 223.272 1.651 20 0 BDADLO CN(Cc1ccon1)Cc1[nH+]ccn1C1CC1 ZINC000892084398 582787843 /nfs/dbraw/zinc/78/78/43/582787843.db2.gz XUNCPDWJISDULO-UHFFFAOYSA-N 1 2 232.287 1.838 20 0 BDADLO CCCN(C)c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892122686 582795974 /nfs/dbraw/zinc/79/59/74/582795974.db2.gz ZUVITKWVFFIHCK-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCCN(C)c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892122686 582795977 /nfs/dbraw/zinc/79/59/77/582795977.db2.gz ZUVITKWVFFIHCK-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)Cn2cncn2)[nH+]1 ZINC000892126596 582796848 /nfs/dbraw/zinc/79/68/48/582796848.db2.gz FDTLWTQVGPPFDW-VHSXEESVSA-N 1 2 247.302 1.227 20 0 BDADLO COCC[C@@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000892252286 582814094 /nfs/dbraw/zinc/81/40/94/582814094.db2.gz NMIGRCVSYQVNKR-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO COCC[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000892252286 582814096 /nfs/dbraw/zinc/81/40/96/582814096.db2.gz NMIGRCVSYQVNKR-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO NC(=[NH+]OCc1ccno1)c1cccc(F)c1 ZINC000725793802 582857040 /nfs/dbraw/zinc/85/70/40/582857040.db2.gz RGRUTYUPGWHPRV-UHFFFAOYSA-N 1 2 235.218 1.860 20 0 BDADLO OCC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892337941 582859688 /nfs/dbraw/zinc/85/96/88/582859688.db2.gz HLFSWDLALGJKCI-LLVKDONJSA-N 1 2 246.314 1.328 20 0 BDADLO CC[S@](=O)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000892453855 582890347 /nfs/dbraw/zinc/89/03/47/582890347.db2.gz ZCGVNKNTOUVZAU-ABKXIKBNSA-N 1 2 242.344 1.315 20 0 BDADLO C[C@H]1CN(C)C(=O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000782399205 582896683 /nfs/dbraw/zinc/89/66/83/582896683.db2.gz MJMSMWHLWFQCGJ-VIFPVBQESA-N 1 2 244.298 1.230 20 0 BDADLO C[C@H](O)c1cccc(NC[C@](C)(O)C2CC2)[nH+]1 ZINC000892482830 582897090 /nfs/dbraw/zinc/89/70/90/582897090.db2.gz ZKLOJNCMKCDGRY-ZANVPECISA-N 1 2 236.315 1.708 20 0 BDADLO COc1cc(C)[nH+]c(CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782616475 582923491 /nfs/dbraw/zinc/92/34/91/582923491.db2.gz MIHZBDPDQCSRSV-RISCZKNCSA-N 1 2 248.326 1.213 20 0 BDADLO CC(C)=CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856275622 588866393 /nfs/dbraw/zinc/86/63/93/588866393.db2.gz HGNMNKPIGCZSFZ-VIFPVBQESA-N 1 2 207.277 1.564 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277156 588866481 /nfs/dbraw/zinc/86/64/81/588866481.db2.gz WBQHGKGRKTUWTR-ZVEBZHOTSA-N 1 2 219.288 1.730 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856276690 588866523 /nfs/dbraw/zinc/86/65/23/588866523.db2.gz CDWBUHPFKDCPPA-JTQLQIEISA-N 1 2 221.304 1.954 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@H]1C ZINC000892737772 582973011 /nfs/dbraw/zinc/97/30/11/582973011.db2.gz KOYOMEKYZWRRBL-AOOOYVTPSA-N 1 2 220.320 1.635 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@H]1C ZINC000892737772 582973013 /nfs/dbraw/zinc/97/30/13/582973013.db2.gz KOYOMEKYZWRRBL-AOOOYVTPSA-N 1 2 220.320 1.635 20 0 BDADLO C[C@H](NC(=O)/C=C/C1CC1)c1[nH+]ccn1C ZINC000856277841 588866681 /nfs/dbraw/zinc/86/66/81/588866681.db2.gz RRFLZRRGKMEBMS-CYNONHLPSA-N 1 2 219.288 1.564 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2cnon2)c1 ZINC000851893485 582976852 /nfs/dbraw/zinc/97/68/52/582976852.db2.gz ATQLUERWWKZTLX-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000892764734 582977680 /nfs/dbraw/zinc/97/76/80/582977680.db2.gz LSXJOXNEQWPYFH-HBNTYKKESA-N 1 2 248.330 1.408 20 0 BDADLO COC/C(C)=C/C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279868 588867058 /nfs/dbraw/zinc/86/70/58/588867058.db2.gz KZNXIHUWAJMJLS-TTZKWOQHSA-N 1 2 237.303 1.190 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)[C@H]1C ZINC000892799534 582985475 /nfs/dbraw/zinc/98/54/75/582985475.db2.gz FDTUNAILCYCHSV-ZJUUUORDSA-N 1 2 216.288 1.964 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)[C@@H]1C ZINC000892802804 582986053 /nfs/dbraw/zinc/98/60/53/582986053.db2.gz VFYKHYIPNKBAED-NXEZZACHSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@@H]1CCN(c2cc(N(C)C)nc[nH+]2)[C@@H]1C ZINC000892802804 582986054 /nfs/dbraw/zinc/98/60/54/582986054.db2.gz VFYKHYIPNKBAED-NXEZZACHSA-N 1 2 220.320 1.777 20 0 BDADLO CCc1cc(N2CC[C@@](C)(O)C2)nc(CC)[nH+]1 ZINC000892806635 582987156 /nfs/dbraw/zinc/98/71/56/582987156.db2.gz JMOOGEIEILEKCB-CYBMUJFWSA-N 1 2 235.331 1.563 20 0 BDADLO C[C@@H]1COCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892971082 583024177 /nfs/dbraw/zinc/02/41/77/583024177.db2.gz NTOKZSFEDULYQT-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO C[C@@H]1COCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892971082 583024178 /nfs/dbraw/zinc/02/41/78/583024178.db2.gz NTOKZSFEDULYQT-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO CN(C)c1cc(N[C@H](CO)CC2CC2)[nH+]cn1 ZINC000892976240 583024222 /nfs/dbraw/zinc/02/42/22/583024222.db2.gz CBKHRSWLHUHETF-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(N[C@H](CO)CC2CC2)nc[nH+]1 ZINC000892976240 583024223 /nfs/dbraw/zinc/02/42/23/583024223.db2.gz CBKHRSWLHUHETF-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO Cc1ocnc1CNc1cc(N(C)C)nc[nH+]1 ZINC000893027641 583031858 /nfs/dbraw/zinc/03/18/58/583031858.db2.gz AIPMDQOCUOUVCJ-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1ocnc1CNc1cc(N(C)C)[nH+]cn1 ZINC000893027641 583031860 /nfs/dbraw/zinc/03/18/60/583031860.db2.gz AIPMDQOCUOUVCJ-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@H](C4CC4)C3)c12 ZINC000893045909 583037141 /nfs/dbraw/zinc/03/71/41/583037141.db2.gz AKIPDRZBWJTJPN-NSHDSACASA-N 1 2 228.299 1.966 20 0 BDADLO CO[C@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000893125673 583053326 /nfs/dbraw/zinc/05/33/26/583053326.db2.gz DBVUJQPVTZKORU-NSHDSACASA-N 1 2 246.314 1.735 20 0 BDADLO C[C@H](O)c1cccc(NCC2(CO)CCC2)[nH+]1 ZINC000893151110 583058312 /nfs/dbraw/zinc/05/83/12/583058312.db2.gz OVMYJJUQOADGCH-JTQLQIEISA-N 1 2 236.315 1.709 20 0 BDADLO CC(=O)OC[C@H](C)Nc1c[nH+]cc(C)c1 ZINC000893198267 583068940 /nfs/dbraw/zinc/06/89/40/583068940.db2.gz ROEICTBPQRZFEW-VIFPVBQESA-N 1 2 208.261 1.754 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C=CCC1 ZINC000853798324 583069575 /nfs/dbraw/zinc/06/95/75/583069575.db2.gz NCWROYIJFTUDFS-SSDOTTSWSA-N 1 2 206.249 1.198 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C=CCC1 ZINC000853798324 583069577 /nfs/dbraw/zinc/06/95/77/583069577.db2.gz NCWROYIJFTUDFS-SSDOTTSWSA-N 1 2 206.249 1.198 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)ccn1 ZINC000856744856 588875760 /nfs/dbraw/zinc/87/57/60/588875760.db2.gz WOQMNPNVWKCQOO-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)ccn1 ZINC000856744856 588875761 /nfs/dbraw/zinc/87/57/61/588875761.db2.gz WOQMNPNVWKCQOO-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO OCC[C@@H]1CCCN1c1nccn2c[nH+]cc12 ZINC000893273937 583082368 /nfs/dbraw/zinc/08/23/68/583082368.db2.gz MOEXDAVHHXEDNN-JTQLQIEISA-N 1 2 232.287 1.081 20 0 BDADLO C[C@H](O)c1cccc(N2CCC[C@H]2CCO)[nH+]1 ZINC000893274681 583082741 /nfs/dbraw/zinc/08/27/41/583082741.db2.gz QLLYSQUFIIXNNG-QWRGUYRKSA-N 1 2 236.315 1.486 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@H]2CCO)[nH+]cn1 ZINC000893282958 583084864 /nfs/dbraw/zinc/08/48/64/583084864.db2.gz PTNBYLQQIFDXIH-VHSXEESVSA-N 1 2 236.319 1.481 20 0 BDADLO CCC[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCOC1 ZINC000854431061 583085165 /nfs/dbraw/zinc/08/51/65/583085165.db2.gz PLABCVGHICOMTO-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@@H](CC(=O)NOCC1CCC1)n1cc[nH+]c1 ZINC000856342405 588868136 /nfs/dbraw/zinc/86/81/36/588868136.db2.gz SUOSWAYDNLBTTQ-JTQLQIEISA-N 1 2 237.303 1.682 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NOCC1CCC1 ZINC000856350649 588869897 /nfs/dbraw/zinc/86/98/97/588869897.db2.gz LERHHIIASNGDRG-UHFFFAOYSA-N 1 2 237.303 1.201 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)nc1C ZINC000840598611 583119630 /nfs/dbraw/zinc/11/96/30/583119630.db2.gz RFYNPZRDGAMXCB-UHFFFAOYSA-N 1 2 245.282 1.752 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1cnccn1 ZINC000856790013 588877836 /nfs/dbraw/zinc/87/78/36/588877836.db2.gz UBKQELQKWIJHCA-UHFFFAOYSA-N 1 2 232.287 1.625 20 0 BDADLO C[C@H](O)c1cccc(N(C)CC2(CO)CC2)[nH+]1 ZINC000893381598 583132790 /nfs/dbraw/zinc/13/27/90/583132790.db2.gz GYAXWTQRUWGWHV-JTQLQIEISA-N 1 2 236.315 1.344 20 0 BDADLO C[C@H](O)c1cccc(N[C@H](CO)CC(F)F)[nH+]1 ZINC000893490005 583153274 /nfs/dbraw/zinc/15/32/74/583153274.db2.gz LGFGJWRJAUSMAV-YUMQZZPRSA-N 1 2 246.257 1.563 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893499632 583154025 /nfs/dbraw/zinc/15/40/25/583154025.db2.gz CPBPUTRIDVZYRL-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893499632 583154026 /nfs/dbraw/zinc/15/40/26/583154026.db2.gz CPBPUTRIDVZYRL-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCOC[C@H]2C)[nH+]1 ZINC000893499871 583154113 /nfs/dbraw/zinc/15/41/13/583154113.db2.gz FRIGLEZYWOZHSG-OUAUKWLOSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)[C@H]1CC1(F)F ZINC000893527703 583157906 /nfs/dbraw/zinc/15/79/06/583157906.db2.gz GDMKNUKDXKCDME-HTQZYQBOSA-N 1 2 242.225 1.835 20 0 BDADLO CCn1cncc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000893555316 583163685 /nfs/dbraw/zinc/16/36/85/583163685.db2.gz HDBQNVVZOFCHSJ-HWPZZCPQSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1cncc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000893555316 583163686 /nfs/dbraw/zinc/16/36/86/583163686.db2.gz HDBQNVVZOFCHSJ-HWPZZCPQSA-N 1 2 243.376 1.102 20 0 BDADLO CCn1c[nH+]cc1CN(C)[C@H](C)C[S@](C)=O ZINC000893555316 583163687 /nfs/dbraw/zinc/16/36/87/583163687.db2.gz HDBQNVVZOFCHSJ-HWPZZCPQSA-N 1 2 243.376 1.102 20 0 BDADLO CN(C)c1cc(NCCCCCO)[nH+]cn1 ZINC000893570694 583165236 /nfs/dbraw/zinc/16/52/36/583165236.db2.gz GYHFEVPCYRXVBY-UHFFFAOYSA-N 1 2 224.308 1.117 20 0 BDADLO CN(C)c1cc(NCCCCCO)nc[nH+]1 ZINC000893570694 583165238 /nfs/dbraw/zinc/16/52/38/583165238.db2.gz GYHFEVPCYRXVBY-UHFFFAOYSA-N 1 2 224.308 1.117 20 0 BDADLO CC1=C(C)CN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000893642077 583184173 /nfs/dbraw/zinc/18/41/73/583184173.db2.gz LUYZOESJYXNJOT-UHFFFAOYSA-N 1 2 245.330 1.878 20 0 BDADLO CC1=C(C)CN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000893642077 583184175 /nfs/dbraw/zinc/18/41/75/583184175.db2.gz LUYZOESJYXNJOT-UHFFFAOYSA-N 1 2 245.330 1.878 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]C[C@@H]1CCC=CO1 ZINC000840957238 583189119 /nfs/dbraw/zinc/18/91/19/583189119.db2.gz KDZMNESFMYYCOA-RYUDHWBXSA-N 1 2 239.315 1.610 20 0 BDADLO C[C@@H](O)c1cccc(N2CCC3(CCO3)CC2)[nH+]1 ZINC000893700461 583204177 /nfs/dbraw/zinc/20/41/77/583204177.db2.gz XCGFVTSPDXIBAD-LLVKDONJSA-N 1 2 248.326 1.894 20 0 BDADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)cnc1C ZINC000893819178 583227179 /nfs/dbraw/zinc/22/71/79/583227179.db2.gz QGZREHOBSXMMRU-UHFFFAOYSA-N 1 2 244.298 1.924 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCC2(C3CC3)CC2)c1 ZINC000893806467 583227418 /nfs/dbraw/zinc/22/74/18/583227418.db2.gz CLELBPDZNVNZMS-UHFFFAOYSA-N 1 2 248.330 1.410 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCC2(C1)OCCO2 ZINC000104082214 583236823 /nfs/dbraw/zinc/23/68/23/583236823.db2.gz FJNFJHHPWWXYDI-UHFFFAOYSA-N 1 2 238.287 1.240 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCC2(C1)OCCO2 ZINC000104082214 583236827 /nfs/dbraw/zinc/23/68/27/583236827.db2.gz FJNFJHHPWWXYDI-UHFFFAOYSA-N 1 2 238.287 1.240 20 0 BDADLO C[N@H+](Cc1nccn1C1CC1)CC1(CO)CC1 ZINC000893886524 583241662 /nfs/dbraw/zinc/24/16/62/583241662.db2.gz VJTOQSLQLCRXFH-UHFFFAOYSA-N 1 2 235.331 1.422 20 0 BDADLO C[N@@H+](Cc1nccn1C1CC1)CC1(CO)CC1 ZINC000893886524 583241663 /nfs/dbraw/zinc/24/16/63/583241663.db2.gz VJTOQSLQLCRXFH-UHFFFAOYSA-N 1 2 235.331 1.422 20 0 BDADLO CC[C@H](CNc1cc(N(C)C)nc[nH+]1)OC ZINC000893916986 583247224 /nfs/dbraw/zinc/24/72/24/583247224.db2.gz FNHLQEGYCHXXMO-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO CC[C@H](CNc1cc(N(C)C)[nH+]cn1)OC ZINC000893916986 583247227 /nfs/dbraw/zinc/24/72/27/583247227.db2.gz FNHLQEGYCHXXMO-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO COC[C@H]([NH2+]CCCCC(C)C)C(=O)OC ZINC000893951474 583260344 /nfs/dbraw/zinc/26/03/44/583260344.db2.gz PFOBMVAPGNGQPD-NSHDSACASA-N 1 2 231.336 1.590 20 0 BDADLO Cc1coc(C[N@H+](CCO)Cc2cccnc2)c1 ZINC000894002886 583271863 /nfs/dbraw/zinc/27/18/63/583271863.db2.gz XKUUDLCUGRXHGX-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1coc(C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000894002886 583271866 /nfs/dbraw/zinc/27/18/66/583271866.db2.gz XKUUDLCUGRXHGX-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](CCO)C2)c1C ZINC000894004635 583271954 /nfs/dbraw/zinc/27/19/54/583271954.db2.gz VZOUUYKLNHJWLS-GFCCVEGCSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](CCO)C2)c1C ZINC000894004635 583271955 /nfs/dbraw/zinc/27/19/55/583271955.db2.gz VZOUUYKLNHJWLS-GFCCVEGCSA-N 1 2 237.347 1.621 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)CCn2cccn2)n1 ZINC000894021130 583274411 /nfs/dbraw/zinc/27/44/11/583274411.db2.gz OWCJKIHFPPGAAT-UHFFFAOYSA-N 1 2 247.346 1.862 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)CCn2cccn2)n1 ZINC000894021130 583274413 /nfs/dbraw/zinc/27/44/13/583274413.db2.gz OWCJKIHFPPGAAT-UHFFFAOYSA-N 1 2 247.346 1.862 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894022253 583275169 /nfs/dbraw/zinc/27/51/69/583275169.db2.gz WUMCLPFXEOZXGO-GFCCVEGCSA-N 1 2 237.347 1.885 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894022253 583275171 /nfs/dbraw/zinc/27/51/71/583275171.db2.gz WUMCLPFXEOZXGO-GFCCVEGCSA-N 1 2 237.347 1.885 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ocnc2C)CCO1 ZINC000894035472 583279923 /nfs/dbraw/zinc/27/99/23/583279923.db2.gz YWKJGDUQHBJTND-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ocnc2C)CCO1 ZINC000894035472 583279924 /nfs/dbraw/zinc/27/99/24/583279924.db2.gz YWKJGDUQHBJTND-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1C ZINC000894026507 583280498 /nfs/dbraw/zinc/28/04/98/583280498.db2.gz LTXGAKZPDAJVCQ-WDEREUQCSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1C ZINC000894026507 583280499 /nfs/dbraw/zinc/28/04/99/583280499.db2.gz LTXGAKZPDAJVCQ-WDEREUQCSA-N 1 2 223.320 1.636 20 0 BDADLO C[C@@H](CCCO)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894029399 583281891 /nfs/dbraw/zinc/28/18/91/583281891.db2.gz DCSWFVJXVJBHPC-QWRGUYRKSA-N 1 2 238.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNc1nccn2ccnc12 ZINC000894041619 583285264 /nfs/dbraw/zinc/28/52/64/583285264.db2.gz DUCVCWXKHDWKGB-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BDADLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C(F)F ZINC000894049238 583288388 /nfs/dbraw/zinc/28/83/88/583288388.db2.gz HGGKJSOYYYIZFG-SSDOTTSWSA-N 1 2 239.225 1.718 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)co1 ZINC000894087362 583298305 /nfs/dbraw/zinc/29/83/05/583298305.db2.gz YDUAXNSUJFNJGS-GFCCVEGCSA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)co1 ZINC000894087362 583298308 /nfs/dbraw/zinc/29/83/08/583298308.db2.gz YDUAXNSUJFNJGS-GFCCVEGCSA-N 1 2 236.315 1.689 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332891548 583303618 /nfs/dbraw/zinc/30/36/18/583303618.db2.gz KCGHIKOYAOLCAL-UWVGGRQHSA-N 1 2 248.330 1.318 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332891548 583303621 /nfs/dbraw/zinc/30/36/21/583303621.db2.gz KCGHIKOYAOLCAL-UWVGGRQHSA-N 1 2 248.330 1.318 20 0 BDADLO CCn1cc([C@@H](C)Nc2cc(NC)[nH+]cn2)cn1 ZINC000894108519 583308057 /nfs/dbraw/zinc/30/80/57/583308057.db2.gz ZPMPWNZODSLFMR-SECBINFHSA-N 1 2 246.318 1.908 20 0 BDADLO CCn1cc([C@@H](C)Nc2cc(NC)nc[nH+]2)cn1 ZINC000894108519 583308058 /nfs/dbraw/zinc/30/80/58/583308058.db2.gz ZPMPWNZODSLFMR-SECBINFHSA-N 1 2 246.318 1.908 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000894178225 583328228 /nfs/dbraw/zinc/32/82/28/583328228.db2.gz JNCSFJIVQRCUDN-MRVPVSSYSA-N 1 2 243.253 1.658 20 0 BDADLO C[C@H](O)c1cccc(N2CCO[C@H](CF)C2)[nH+]1 ZINC000894181209 583330885 /nfs/dbraw/zinc/33/08/85/583330885.db2.gz JXAWONJYHMMEMT-VHSXEESVSA-N 1 2 240.278 1.310 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1nccs1 ZINC000894199040 583336620 /nfs/dbraw/zinc/33/66/20/583336620.db2.gz DZQDSTFFGJWPOJ-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CNc1cc(N2CCC[C@H](CO)[C@H]2C)nc[nH+]1 ZINC000894222119 583382789 /nfs/dbraw/zinc/38/27/89/583382789.db2.gz PDNUTYWOVMRXNN-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CCC[C@H](CO)[C@H]2C)[nH+]cn1 ZINC000894222119 583382792 /nfs/dbraw/zinc/38/27/92/583382792.db2.gz PDNUTYWOVMRXNN-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H]1c2ccsc2CC[N@H+]1CN1CCC1=O ZINC000857229335 588896417 /nfs/dbraw/zinc/89/64/17/588896417.db2.gz PMQCYWGHYCFPIL-VIFPVBQESA-N 1 2 236.340 1.857 20 0 BDADLO C[C@H]1c2ccsc2CC[N@@H+]1CN1CCC1=O ZINC000857229335 588896419 /nfs/dbraw/zinc/89/64/19/588896419.db2.gz PMQCYWGHYCFPIL-VIFPVBQESA-N 1 2 236.340 1.857 20 0 BDADLO O=C1CCN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000857231280 588896833 /nfs/dbraw/zinc/89/68/33/588896833.db2.gz CGOKZLAOKMXJJK-LBPRGKRZSA-N 1 2 231.299 1.408 20 0 BDADLO O=C1CCN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000857231280 588896834 /nfs/dbraw/zinc/89/68/34/588896834.db2.gz CGOKZLAOKMXJJK-LBPRGKRZSA-N 1 2 231.299 1.408 20 0 BDADLO Cc1cccc2c1CC[N@H+](CN1CCC1=O)C2 ZINC000857232038 588897667 /nfs/dbraw/zinc/89/76/67/588897667.db2.gz JZQVDPAZIZKRBS-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO Cc1cccc2c1CC[N@@H+](CN1CCC1=O)C2 ZINC000857232038 588897668 /nfs/dbraw/zinc/89/76/68/588897668.db2.gz JZQVDPAZIZKRBS-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO FC(F)(F)Cn1cc(NCc2c[nH+]c[nH]2)cn1 ZINC000894358797 583436874 /nfs/dbraw/zinc/43/68/74/583436874.db2.gz JOJJEUKTQUERMR-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO FC(F)(F)Cn1cc(NCc2c[nH]c[nH+]2)cn1 ZINC000894358797 583436875 /nfs/dbraw/zinc/43/68/75/583436875.db2.gz JOJJEUKTQUERMR-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879624727 583441887 /nfs/dbraw/zinc/44/18/87/583441887.db2.gz ZZDNVXIYKBRABY-WPRPVWTQSA-N 1 2 238.335 1.267 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](O)CC(C)(C)C2)[nH]1 ZINC000879624727 583441890 /nfs/dbraw/zinc/44/18/90/583441890.db2.gz ZZDNVXIYKBRABY-WPRPVWTQSA-N 1 2 238.335 1.267 20 0 BDADLO COc1cccc2c1CC[N@H+](CN1CCC1=O)C2 ZINC000857234881 588899264 /nfs/dbraw/zinc/89/92/64/588899264.db2.gz VTKBKGPKDDZHJT-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO COc1cccc2c1CC[N@@H+](CN1CCC1=O)C2 ZINC000857234881 588899266 /nfs/dbraw/zinc/89/92/66/588899266.db2.gz VTKBKGPKDDZHJT-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO C[C@H](O)c1cccc(NCCN2CCCC2=O)[nH+]1 ZINC000894391741 583445986 /nfs/dbraw/zinc/44/59/86/583445986.db2.gz RQYSALSTDLVVOF-JTQLQIEISA-N 1 2 249.314 1.169 20 0 BDADLO CN1CCOc2ccc(NCc3c[nH+]c[nH]3)cc21 ZINC000894403324 583450453 /nfs/dbraw/zinc/45/04/53/583450453.db2.gz OAWUMHRKSJEBGB-UHFFFAOYSA-N 1 2 244.298 1.850 20 0 BDADLO CN1CCOc2ccc(NCc3c[nH]c[nH+]3)cc21 ZINC000894403324 583450454 /nfs/dbraw/zinc/45/04/54/583450454.db2.gz OAWUMHRKSJEBGB-UHFFFAOYSA-N 1 2 244.298 1.850 20 0 BDADLO COCC1(CNc2cccc([C@H](C)O)[nH+]2)CC1 ZINC000894426309 583456778 /nfs/dbraw/zinc/45/67/78/583456778.db2.gz LLEHLRWDYDULPL-JTQLQIEISA-N 1 2 236.315 1.973 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894465669 583468395 /nfs/dbraw/zinc/46/83/95/583468395.db2.gz ZIWALDLFQVIAFA-SSDOTTSWSA-N 1 2 243.738 1.753 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894465669 583468397 /nfs/dbraw/zinc/46/83/97/583468397.db2.gz ZIWALDLFQVIAFA-SSDOTTSWSA-N 1 2 243.738 1.753 20 0 BDADLO FCC[N@@H+]1CCC[C@@H](Nc2nccs2)C1 ZINC000894472905 583468404 /nfs/dbraw/zinc/46/84/04/583468404.db2.gz WRHGCMYZYUUTTI-SECBINFHSA-N 1 2 229.324 1.989 20 0 BDADLO FCC[N@H+]1CCC[C@@H](Nc2nccs2)C1 ZINC000894472905 583468405 /nfs/dbraw/zinc/46/84/05/583468405.db2.gz WRHGCMYZYUUTTI-SECBINFHSA-N 1 2 229.324 1.989 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000894488527 583470772 /nfs/dbraw/zinc/47/07/72/583470772.db2.gz YVFPOOJJIZJTFP-ZJUUUORDSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000894488527 583470774 /nfs/dbraw/zinc/47/07/74/583470774.db2.gz YVFPOOJJIZJTFP-ZJUUUORDSA-N 1 2 223.320 1.507 20 0 BDADLO CN(C)c1cc(N[C@@H](CO)C2CCC2)[nH+]cn1 ZINC000894488785 583470809 /nfs/dbraw/zinc/47/08/09/583470809.db2.gz ILKPTLYKASWTBO-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(N[C@@H](CO)C2CCC2)nc[nH+]1 ZINC000894488785 583470811 /nfs/dbraw/zinc/47/08/11/583470811.db2.gz ILKPTLYKASWTBO-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000894501148 583475026 /nfs/dbraw/zinc/47/50/26/583475026.db2.gz SPMWYTYPBWTCTR-WPRPVWTQSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000894501148 583475027 /nfs/dbraw/zinc/47/50/27/583475027.db2.gz SPMWYTYPBWTCTR-WPRPVWTQSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000894566081 583484267 /nfs/dbraw/zinc/48/42/67/583484267.db2.gz JUEUPHQXSMQNIB-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000894566081 583484268 /nfs/dbraw/zinc/48/42/68/583484268.db2.gz JUEUPHQXSMQNIB-BDJLRTHQSA-N 1 2 241.356 1.931 20 0 BDADLO CC[N@H+](Cc1c(Cl)c(C)nn1C)[C@H](C)CO ZINC000894580415 583488405 /nfs/dbraw/zinc/48/84/05/583488405.db2.gz ANRMLGORCIBIFZ-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO CC[N@@H+](Cc1c(Cl)c(C)nn1C)[C@H](C)CO ZINC000894580415 583488406 /nfs/dbraw/zinc/48/84/06/583488406.db2.gz ANRMLGORCIBIFZ-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO COc1cncc(CN(C)Cc2[nH]cc[nH+]2)c1C ZINC000894587130 583490410 /nfs/dbraw/zinc/49/04/10/583490410.db2.gz RCAMEIARMBZIFT-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO CCc1cc(NC2([C@H](C)O)CC2)nc(CC)[nH+]1 ZINC000894600905 583491396 /nfs/dbraw/zinc/49/13/96/583491396.db2.gz NMORKTHQAYARDH-VIFPVBQESA-N 1 2 235.331 1.927 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1C ZINC000894595589 583492828 /nfs/dbraw/zinc/49/28/28/583492828.db2.gz ILHCOAJKHCTRNR-LLVKDONJSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1C ZINC000894595589 583492829 /nfs/dbraw/zinc/49/28/29/583492829.db2.gz ILHCOAJKHCTRNR-LLVKDONJSA-N 1 2 223.320 1.229 20 0 BDADLO c1nc2n(c1C[NH+]1CC3(CC3)C1)CCOC2 ZINC000894663393 583501922 /nfs/dbraw/zinc/50/19/22/583501922.db2.gz JUSAWLFQMQGERG-UHFFFAOYSA-N 1 2 219.288 1.009 20 0 BDADLO Cc1cc(C[NH2+]C(CF)CF)cnc1F ZINC000894667698 583501989 /nfs/dbraw/zinc/50/19/89/583501989.db2.gz MLJGNBHMMBVAPV-UHFFFAOYSA-N 1 2 218.222 1.926 20 0 BDADLO CC(C)c1c[nH]c(CN2CCOCC23CC3)[nH+]1 ZINC000894686199 583507267 /nfs/dbraw/zinc/50/72/67/583507267.db2.gz FGQNRWOXPOPOOC-UHFFFAOYSA-N 1 2 235.331 1.898 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOCC23CC3)c1C ZINC000894684275 583507953 /nfs/dbraw/zinc/50/79/53/583507953.db2.gz KFMJURMOKZBUQK-UHFFFAOYSA-N 1 2 221.304 1.391 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOCC23CC3)c1C ZINC000894684275 583507954 /nfs/dbraw/zinc/50/79/54/583507954.db2.gz KFMJURMOKZBUQK-UHFFFAOYSA-N 1 2 221.304 1.391 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+]Cc1nn(C)cc1Cl ZINC000894712189 583510845 /nfs/dbraw/zinc/51/08/45/583510845.db2.gz PMWVOSHKUQRRJZ-ZETCQYMHSA-N 1 2 245.710 1.115 20 0 BDADLO CNc1cc(N[C@H]2CC=C(C(=O)OC)C2)nc[nH+]1 ZINC000894726202 583515289 /nfs/dbraw/zinc/51/52/89/583515289.db2.gz SSAHJSUFSGIWEC-VIFPVBQESA-N 1 2 248.286 1.192 20 0 BDADLO CNc1cc(N[C@H]2CC=C(C(=O)OC)C2)[nH+]cn1 ZINC000894726202 583515290 /nfs/dbraw/zinc/51/52/90/583515290.db2.gz SSAHJSUFSGIWEC-VIFPVBQESA-N 1 2 248.286 1.192 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)[C@@H](C)CO)n1 ZINC000894770930 583516964 /nfs/dbraw/zinc/51/69/64/583516964.db2.gz SKZSYAOGSJLFFN-VIFPVBQESA-N 1 2 211.309 1.346 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)[C@@H](C)CO)n1 ZINC000894770930 583516965 /nfs/dbraw/zinc/51/69/65/583516965.db2.gz SKZSYAOGSJLFFN-VIFPVBQESA-N 1 2 211.309 1.346 20 0 BDADLO C/C=C\CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894774145 583517296 /nfs/dbraw/zinc/51/72/96/583517296.db2.gz ONHSJWRJWLQLFH-TZGMSPROSA-N 1 2 236.319 1.647 20 0 BDADLO C/C=C\CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894774145 583517298 /nfs/dbraw/zinc/51/72/98/583517298.db2.gz ONHSJWRJWLQLFH-TZGMSPROSA-N 1 2 236.319 1.647 20 0 BDADLO C/C=C\CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894774142 583517373 /nfs/dbraw/zinc/51/73/73/583517373.db2.gz ONHSJWRJWLQLFH-ATPLWMGHSA-N 1 2 236.319 1.647 20 0 BDADLO C/C=C\CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894774142 583517375 /nfs/dbraw/zinc/51/73/75/583517375.db2.gz ONHSJWRJWLQLFH-ATPLWMGHSA-N 1 2 236.319 1.647 20 0 BDADLO COC1(C)C[NH+](Cc2cnc3onc(C)c3c2)C1 ZINC000894780946 583520627 /nfs/dbraw/zinc/52/06/27/583520627.db2.gz AWMSZTDONCRIEB-UHFFFAOYSA-N 1 2 247.298 1.752 20 0 BDADLO COC1(C)CN(Cc2c(C)cc[nH+]c2N)C1 ZINC000894782003 583521222 /nfs/dbraw/zinc/52/12/22/583521222.db2.gz IMDSOLIQRZCSBW-UHFFFAOYSA-N 1 2 221.304 1.193 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894799677 583522069 /nfs/dbraw/zinc/52/20/69/583522069.db2.gz MGBFCWPQDBXGST-LBPRGKRZSA-N 1 2 239.319 1.351 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880299189 583526200 /nfs/dbraw/zinc/52/62/00/583526200.db2.gz DPUDZKJYIYCZHJ-QMMMGPOBSA-N 1 2 242.250 1.253 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880299189 583526201 /nfs/dbraw/zinc/52/62/01/583526201.db2.gz DPUDZKJYIYCZHJ-QMMMGPOBSA-N 1 2 242.250 1.253 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(CO)C2)cnc1F ZINC000894839287 583529417 /nfs/dbraw/zinc/52/94/17/583529417.db2.gz CUGRMNSWHKNHJO-UHFFFAOYSA-N 1 2 224.279 1.343 20 0 BDADLO Cc1ccnc(N)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC000894869675 583539211 /nfs/dbraw/zinc/53/92/11/583539211.db2.gz CBKARIQHXFUZLF-LLVKDONJSA-N 1 2 243.314 1.403 20 0 BDADLO CCc1ncc(C[NH2+][C@H](C)c2cnccn2)o1 ZINC000894917276 583555385 /nfs/dbraw/zinc/55/53/85/583555385.db2.gz LNJHIWKIFXEUDO-SECBINFHSA-N 1 2 232.287 1.878 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000894917906 583555629 /nfs/dbraw/zinc/55/56/29/583555629.db2.gz SJPDWWFDIRQJSU-UWVGGRQHSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1coc(C[N@H+]2CCN(CCO)C[C@@H]2C)c1 ZINC000894959859 583559480 /nfs/dbraw/zinc/55/94/80/583559480.db2.gz VPXJQWAIQQPNDA-LBPRGKRZSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1coc(C[N@@H+]2CCN(CCO)C[C@@H]2C)c1 ZINC000894959859 583559482 /nfs/dbraw/zinc/55/94/82/583559482.db2.gz VPXJQWAIQQPNDA-LBPRGKRZSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1noc(C2C[NH+](Cc3[nH]nc(C)c3C)C2)n1 ZINC000894970712 583561498 /nfs/dbraw/zinc/56/14/98/583561498.db2.gz LOFTUNPLKDVCRC-UHFFFAOYSA-N 1 2 247.302 1.317 20 0 BDADLO CC[C@H](NCc1c[nH+]c[nH]1)C(=O)OC(C)(C)C ZINC000895085380 583584517 /nfs/dbraw/zinc/58/45/17/583584517.db2.gz MMUJVULAUWCYFU-JTQLQIEISA-N 1 2 239.319 1.620 20 0 BDADLO CC[C@H](NCc1c[nH]c[nH+]1)C(=O)OC(C)(C)C ZINC000895085380 583584518 /nfs/dbraw/zinc/58/45/18/583584518.db2.gz MMUJVULAUWCYFU-JTQLQIEISA-N 1 2 239.319 1.620 20 0 BDADLO CC(C)(O)[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000895091824 583587426 /nfs/dbraw/zinc/58/74/26/583587426.db2.gz RRBOSWRNOYJAJR-JTQLQIEISA-N 1 2 246.314 1.327 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cccc(O)c1 ZINC000895112279 583591263 /nfs/dbraw/zinc/59/12/63/583591263.db2.gz CGJACNJUELQQLG-HBNTYKKESA-N 1 2 248.326 1.490 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1cccc(O)c1 ZINC000895112279 583591265 /nfs/dbraw/zinc/59/12/65/583591265.db2.gz CGJACNJUELQQLG-HBNTYKKESA-N 1 2 248.326 1.490 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1C ZINC000895341010 583654555 /nfs/dbraw/zinc/65/45/55/583654555.db2.gz CDTNWASPJSUKEN-TVQRCGJNSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1C ZINC000895376684 583661776 /nfs/dbraw/zinc/66/17/76/583661776.db2.gz IAZSDHYXZKWBOU-SKDRFNHKSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1C ZINC000895376684 583661779 /nfs/dbraw/zinc/66/17/79/583661779.db2.gz IAZSDHYXZKWBOU-SKDRFNHKSA-N 1 2 237.347 1.477 20 0 BDADLO C/C(=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000857884755 588920688 /nfs/dbraw/zinc/92/06/88/588920688.db2.gz KSJDHDPFCYAEMJ-IGLBNKAOSA-N 1 2 247.342 1.916 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccns1 ZINC000895452768 583677355 /nfs/dbraw/zinc/67/73/55/583677355.db2.gz VMWDFXNCZBNOKQ-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO COC(=O)/C(C)=C/CNc1cc[nH+]c(C)n1 ZINC000895512804 583682446 /nfs/dbraw/zinc/68/24/46/583682446.db2.gz CTCCISSBFYBIFC-XBXARRHUSA-N 1 2 221.260 1.316 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000857890159 588921432 /nfs/dbraw/zinc/92/14/32/588921432.db2.gz QXJGGVCUDYKSPV-CXFOVVQCSA-N 1 2 245.326 1.670 20 0 BDADLO C/C=C/C=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857892961 588921566 /nfs/dbraw/zinc/92/15/66/588921566.db2.gz NAKGJERUPSTERK-RXMSJDEBSA-N 1 2 217.272 1.056 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(OC)o2)n1 ZINC000895561400 583691450 /nfs/dbraw/zinc/69/14/50/583691450.db2.gz QHQPOFWHDCATHY-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)C(C)(C)C ZINC000895587290 583694256 /nfs/dbraw/zinc/69/42/56/583694256.db2.gz NYOQXTXTNNLOMC-SECBINFHSA-N 1 2 238.335 1.654 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000895646513 583698634 /nfs/dbraw/zinc/69/86/34/583698634.db2.gz WBFUPGWFSIKBNO-CABZTGNLSA-N 1 2 221.304 1.100 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000895646513 583698635 /nfs/dbraw/zinc/69/86/35/583698635.db2.gz WBFUPGWFSIKBNO-CABZTGNLSA-N 1 2 221.304 1.100 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cn3cccc(F)c3n1)C2 ZINC000895651799 583703208 /nfs/dbraw/zinc/70/32/08/583703208.db2.gz CFUBEDRRVYZBAG-ZANVPECISA-N 1 2 247.273 1.040 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cn3cccc(F)c3n1)C2 ZINC000895651799 583703210 /nfs/dbraw/zinc/70/32/10/583703210.db2.gz CFUBEDRRVYZBAG-ZANVPECISA-N 1 2 247.273 1.040 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CNCc1ccc(Cl)nn1 ZINC000895671358 583706037 /nfs/dbraw/zinc/70/60/37/583706037.db2.gz KFHKUKRAFHWRKZ-SNVBAGLBSA-N 1 2 240.738 1.314 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc[nH]2)nc1 ZINC000895705064 583710161 /nfs/dbraw/zinc/71/01/61/583710161.db2.gz TZKSWMLUWAUVIT-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1ccc(CNCc2[nH]cc[nH+]2)nc1 ZINC000895705064 583710163 /nfs/dbraw/zinc/71/01/63/583710163.db2.gz TZKSWMLUWAUVIT-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc[nH]2)cnc1F ZINC000895704123 583710409 /nfs/dbraw/zinc/71/04/09/583710409.db2.gz JKKOXOUCQZJRQG-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)CCO1 ZINC000895763853 583722387 /nfs/dbraw/zinc/72/23/87/583722387.db2.gz DEIVGMBSRCMJQO-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)CCO1 ZINC000895763853 583722388 /nfs/dbraw/zinc/72/23/88/583722388.db2.gz DEIVGMBSRCMJQO-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857943109 588924597 /nfs/dbraw/zinc/92/45/97/588924597.db2.gz GLUPKEZVHAHRGC-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857944844 588924837 /nfs/dbraw/zinc/92/48/37/588924837.db2.gz AVEXJNZHPGIMAN-GCZGVDRJSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1cccn2c(CN[C@H]3CCOC3=O)c[nH+]c12 ZINC000895801677 583731118 /nfs/dbraw/zinc/73/11/18/583731118.db2.gz SYVUIKLDKHZISK-NSHDSACASA-N 1 2 245.282 1.048 20 0 BDADLO CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804062 583731350 /nfs/dbraw/zinc/73/13/50/583731350.db2.gz MBEDHRKLAAYPNK-LPEHRKFASA-N 1 2 243.372 1.812 20 0 BDADLO CCN(CCC(N)=O)c1cc(C)[nH+]c(C2CC2)n1 ZINC000895889217 583739525 /nfs/dbraw/zinc/73/95/25/583739525.db2.gz MTKUTOPGKDLFDK-UHFFFAOYSA-N 1 2 248.330 1.364 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2COC[C@H]2C)[nH+]1 ZINC000895905074 583742830 /nfs/dbraw/zinc/74/28/30/583742830.db2.gz HXWDGKVRXDWMEY-GMSGAONNSA-N 1 2 232.287 1.713 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000895906507 583744952 /nfs/dbraw/zinc/74/49/52/583744952.db2.gz ZHXNLKYEDSLSCX-QWRGUYRKSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1COC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000895906507 583744953 /nfs/dbraw/zinc/74/49/53/583744953.db2.gz ZHXNLKYEDSLSCX-QWRGUYRKSA-N 1 2 248.330 1.524 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000895925577 583747774 /nfs/dbraw/zinc/74/77/74/583747774.db2.gz FBKOAEMVINMKRE-LBPRGKRZSA-N 1 2 237.347 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000895925577 583747777 /nfs/dbraw/zinc/74/77/77/583747777.db2.gz FBKOAEMVINMKRE-LBPRGKRZSA-N 1 2 237.347 1.701 20 0 BDADLO Cc1nc(N(C)C[C@H](O)c2cccnc2)cc[nH+]1 ZINC000895937807 583749777 /nfs/dbraw/zinc/74/97/77/583749777.db2.gz WVSLBWPUJQLVRN-LBPRGKRZSA-N 1 2 244.298 1.350 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccccn2)C1 ZINC000895951928 583751562 /nfs/dbraw/zinc/75/15/62/583751562.db2.gz IZBWVZCUFYNADP-UHFFFAOYSA-N 1 2 206.289 1.691 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1CC2(CC2)C1 ZINC000857975382 588926460 /nfs/dbraw/zinc/92/64/60/588926460.db2.gz NFACQEUIGGNGAF-JTQLQIEISA-N 1 2 231.299 1.634 20 0 BDADLO CCn1c[nH+]cc1CN1CC(OC(C)C)C1 ZINC000895955037 583752231 /nfs/dbraw/zinc/75/22/31/583752231.db2.gz MHWLUYDYCRAEJI-UHFFFAOYSA-N 1 2 223.320 1.512 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)O1 ZINC000857978150 588926549 /nfs/dbraw/zinc/92/65/49/588926549.db2.gz LHNGGVMDOYPOMB-MIZYBKAJSA-N 1 2 249.314 1.258 20 0 BDADLO O=C(CSC(F)F)N[C@H]1CCn2c[nH+]cc21 ZINC000857977727 588926575 /nfs/dbraw/zinc/92/65/75/588926575.db2.gz YQSYKVSHAPNMFP-LURJTMIESA-N 1 2 247.270 1.400 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccsc2C)CCO1 ZINC000895963188 583753798 /nfs/dbraw/zinc/75/37/98/583753798.db2.gz MRXJGHJIZKAJSD-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccsc2C)CCO1 ZINC000895963188 583753801 /nfs/dbraw/zinc/75/38/01/583753801.db2.gz MRXJGHJIZKAJSD-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@H]1CN(Cc2c[nH+]cn2C(C)C)CCO1 ZINC000895963563 583754018 /nfs/dbraw/zinc/75/40/18/583754018.db2.gz PQWSJIMWESYGAU-GFCCVEGCSA-N 1 2 239.319 1.269 20 0 BDADLO COCC1C[NH+](Cc2c(Cl)c(C)nn2C)C1 ZINC000895976962 583754410 /nfs/dbraw/zinc/75/44/10/583754410.db2.gz WUZCPPMCFZJDJE-UHFFFAOYSA-N 1 2 243.738 1.460 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C)c2)CCO1 ZINC000895969146 583755409 /nfs/dbraw/zinc/75/54/09/583755409.db2.gz YBXGMZBFUPUBJL-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C)c2)CCO1 ZINC000895969146 583755411 /nfs/dbraw/zinc/75/54/11/583755411.db2.gz YBXGMZBFUPUBJL-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977793 588926717 /nfs/dbraw/zinc/92/67/17/588926717.db2.gz HGQXWHJUMVHAAB-ONGXEEELSA-N 1 2 237.303 1.259 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(F)c[nH]1 ZINC000857977260 588926757 /nfs/dbraw/zinc/92/67/57/588926757.db2.gz TWTPHQLMCFUSAT-QMMMGPOBSA-N 1 2 234.234 1.225 20 0 BDADLO CCc1occc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978217 588926823 /nfs/dbraw/zinc/92/68/23/588926823.db2.gz CQCKHRAOSZNVIM-SNVBAGLBSA-N 1 2 245.282 1.913 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1=COCC1 ZINC000727749915 583763924 /nfs/dbraw/zinc/76/39/24/583763924.db2.gz RSBMBONWCVTDRT-UHFFFAOYSA-N 1 2 233.271 1.390 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCC=CO1 ZINC000857982644 588927757 /nfs/dbraw/zinc/92/77/57/588927757.db2.gz KUGWTBIOHHBSKG-ONGXEEELSA-N 1 2 233.271 1.137 20 0 BDADLO O=C(CC[C@H]1CCOC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983012 588927870 /nfs/dbraw/zinc/92/78/70/588927870.db2.gz ODWLTBQNALGZJJ-QWRGUYRKSA-N 1 2 249.314 1.261 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857982985 588927958 /nfs/dbraw/zinc/92/79/58/588927958.db2.gz UOBPJCAZDRLRFM-GMTAPVOTSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(F)CCCC1 ZINC000857982743 588928033 /nfs/dbraw/zinc/92/80/33/588928033.db2.gz REWXZPFFDJULKS-SECBINFHSA-N 1 2 237.278 1.726 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cncs1 ZINC000857981444 588928035 /nfs/dbraw/zinc/92/80/35/588928035.db2.gz DYBCPIRUPHDWFZ-SSDOTTSWSA-N 1 2 234.284 1.214 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc(C2([NH+](C)C)CC2)n1 ZINC000896123676 583774071 /nfs/dbraw/zinc/77/40/71/583774071.db2.gz JNJPLQFDEFHJOT-SFYZADRCSA-N 1 2 207.277 1.744 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)nc1 ZINC000857981295 588928232 /nfs/dbraw/zinc/92/82/32/588928232.db2.gz ZCWWLMJUHMGKNO-JTQLQIEISA-N 1 2 242.282 1.461 20 0 BDADLO COc1ccc[nH+]c1NCC[C@H]1CNC(=O)C1 ZINC000896135050 583775402 /nfs/dbraw/zinc/77/54/02/583775402.db2.gz NVECVXFPMWBGLG-SECBINFHSA-N 1 2 235.287 1.028 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2(C3CC3)CC2)n1 ZINC000896164430 583776739 /nfs/dbraw/zinc/77/67/39/583776739.db2.gz GVWUKZKAARIFNM-UHFFFAOYSA-N 1 2 244.298 1.836 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1C ZINC000857988321 588929071 /nfs/dbraw/zinc/92/90/71/588929071.db2.gz ILHZWCYVOLNRIZ-JTQLQIEISA-N 1 2 244.298 1.405 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3cocn3)C2)no1 ZINC000896238435 583785446 /nfs/dbraw/zinc/78/54/46/583785446.db2.gz WNNIMQMVLZOIBC-VIFPVBQESA-N 1 2 234.259 1.356 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3cocn3)C2)no1 ZINC000896238435 583785447 /nfs/dbraw/zinc/78/54/47/583785447.db2.gz WNNIMQMVLZOIBC-VIFPVBQESA-N 1 2 234.259 1.356 20 0 BDADLO CCOC(=O)[C@@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000896264637 583787497 /nfs/dbraw/zinc/78/74/97/583787497.db2.gz ICGZNHJYSGAFSS-LLVKDONJSA-N 1 2 249.314 1.483 20 0 BDADLO CCOC(=O)[C@H]1CCN(c2cc[nH+]c(CC)n2)C1 ZINC000896265661 583787880 /nfs/dbraw/zinc/78/78/80/583787880.db2.gz OSHMERAUHSNFGV-JTQLQIEISA-N 1 2 249.314 1.428 20 0 BDADLO CCOC(=O)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000896267116 583787945 /nfs/dbraw/zinc/78/79/45/583787945.db2.gz WXJQNBDJEADNJQ-SNVBAGLBSA-N 1 2 235.287 1.174 20 0 BDADLO CCOC(=O)[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000896266761 583788203 /nfs/dbraw/zinc/78/82/03/583788203.db2.gz VYBHYWUPTGNIIW-JTQLQIEISA-N 1 2 235.287 1.174 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857986834 588929539 /nfs/dbraw/zinc/92/95/39/588929539.db2.gz XEYCPZVVCRITPR-GXSJLCMTSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCOC2(CCC2)C1 ZINC000896305451 583789643 /nfs/dbraw/zinc/78/96/43/583789643.db2.gz QPEIZGKHSUFFFJ-SNVBAGLBSA-N 1 2 249.314 1.375 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccccn1 ZINC000857989453 588929893 /nfs/dbraw/zinc/92/98/93/588929893.db2.gz HQKOHQNNBBZOFS-VIFPVBQESA-N 1 2 228.255 1.153 20 0 BDADLO COCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996563 588930063 /nfs/dbraw/zinc/93/00/63/588930063.db2.gz BPNDINOHKGOUOZ-UHFFFAOYSA-N 1 2 235.287 1.185 20 0 BDADLO C/C=C/C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857994547 588930121 /nfs/dbraw/zinc/93/01/21/588930121.db2.gz LDHPCYZFEKHHPN-ONEGZZNKSA-N 1 2 217.272 1.725 20 0 BDADLO c1cc(NCCO[C@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000896478940 583805155 /nfs/dbraw/zinc/80/51/55/583805155.db2.gz GKGLFTBRYXJXCY-NSHDSACASA-N 1 2 249.314 1.571 20 0 BDADLO CCOCCOCCNc1nc[nH+]c(C)c1C ZINC000896480132 583805702 /nfs/dbraw/zinc/80/57/02/583805702.db2.gz LRVRKTCNFKOWTI-UHFFFAOYSA-N 1 2 239.319 1.558 20 0 BDADLO COCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997062 588930664 /nfs/dbraw/zinc/93/06/64/588930664.db2.gz JWTIMHQGAZIKEP-UHFFFAOYSA-N 1 2 249.314 1.575 20 0 BDADLO CCOCCOCCNc1cc[nH+]cc1F ZINC000896482101 583806170 /nfs/dbraw/zinc/80/61/70/583806170.db2.gz TYUGVRMDYSPTSK-UHFFFAOYSA-N 1 2 228.267 1.108 20 0 BDADLO COCc1cc(C[N@@H+]2CCO[C@@H](C)CC2)no1 ZINC000896578103 583814270 /nfs/dbraw/zinc/81/42/70/583814270.db2.gz RWYVWTLFGDJJMS-JTQLQIEISA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCO[C@@H](C)CC2)no1 ZINC000896578103 583814273 /nfs/dbraw/zinc/81/42/73/583814273.db2.gz RWYVWTLFGDJJMS-JTQLQIEISA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@@H+]2CCO[C@H](C)CC2)no1 ZINC000896578104 583814524 /nfs/dbraw/zinc/81/45/24/583814524.db2.gz RWYVWTLFGDJJMS-SNVBAGLBSA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCO[C@H](C)CC2)no1 ZINC000896578104 583814526 /nfs/dbraw/zinc/81/45/26/583814526.db2.gz RWYVWTLFGDJJMS-SNVBAGLBSA-N 1 2 240.303 1.432 20 0 BDADLO COC[C@H](OC)c1noc([C@H](C)[NH+](C)C)n1 ZINC000896654982 583821519 /nfs/dbraw/zinc/82/15/19/583821519.db2.gz XRUBNOMXQDRSHE-YUMQZZPRSA-N 1 2 229.280 1.026 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2C[C@H](CO)C2)[nH+]1 ZINC000896694561 583824458 /nfs/dbraw/zinc/82/44/58/583824458.db2.gz BMECWQCIXUXHGZ-OPRDCNLKSA-N 1 2 222.288 1.318 20 0 BDADLO CCc1cc(C(=O)NCc2[nH]c[nH+]c2C)no1 ZINC000896800424 583834779 /nfs/dbraw/zinc/83/47/79/583834779.db2.gz IMUBYNWLUPVNRV-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO Cn1nccc1[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000896830054 583837678 /nfs/dbraw/zinc/83/76/78/583837678.db2.gz LJFUCXSCWFYDIQ-GFCCVEGCSA-N 1 2 244.298 1.393 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@H]1CCCC12CC2 ZINC000858170883 588936895 /nfs/dbraw/zinc/93/68/95/588936895.db2.gz PQTABGGBIBVNSB-MRVPVSSYSA-N 1 2 224.329 1.786 20 0 BDADLO Cc1ccn(C)c1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911500 583853181 /nfs/dbraw/zinc/85/31/81/583853181.db2.gz WFPLNNLYELIATB-UHFFFAOYSA-N 1 2 246.314 1.603 20 0 BDADLO CO[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)C(C)C ZINC000896913629 583854188 /nfs/dbraw/zinc/85/41/88/583854188.db2.gz IAYFPUBDWHWMIZ-LLVKDONJSA-N 1 2 239.319 1.314 20 0 BDADLO Cc1[nH]c(CNC(=O)C2CC(F)(F)C2)[nH+]c1C ZINC000896916848 583855623 /nfs/dbraw/zinc/85/56/23/583855623.db2.gz LQFQMIJIPWAPLS-UHFFFAOYSA-N 1 2 243.257 1.688 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000896927027 583858437 /nfs/dbraw/zinc/85/84/37/583858437.db2.gz OEKLVVNLJYGDCW-DTWKUNHWSA-N 1 2 246.376 1.174 20 0 BDADLO CONC(=O)C[NH2+]CCCCC(C)C ZINC000896924094 583858893 /nfs/dbraw/zinc/85/88/93/583858893.db2.gz KDYHQSYTFOVLHA-UHFFFAOYSA-N 1 2 202.298 1.080 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000896927309 583859162 /nfs/dbraw/zinc/85/91/62/583859162.db2.gz PORUKJFJAOBDTP-QWRGUYRKSA-N 1 2 226.320 1.222 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000896926350 583859247 /nfs/dbraw/zinc/85/92/47/583859247.db2.gz IHQRPDUGTHRJPL-GHMZBOCLSA-N 1 2 230.352 1.714 20 0 BDADLO CC[C@H](Cc1ccccc1)[NH2+]CC(=O)NOC ZINC000896927360 583859567 /nfs/dbraw/zinc/85/95/67/583859567.db2.gz QOYOOUFQRNVPIM-GFCCVEGCSA-N 1 2 236.315 1.275 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)CSC(C)(C)C ZINC000896926384 583859932 /nfs/dbraw/zinc/85/99/32/583859932.db2.gz JCQACYZZHUERJS-MRVPVSSYSA-N 1 2 234.365 1.174 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccncc2)[nH+]c1C ZINC000896929687 583859994 /nfs/dbraw/zinc/85/99/94/583859994.db2.gz MBLWPOQLHGXLBN-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CCc1nc(N2CCO[C@@H]3COCC[C@@H]32)cc[nH+]1 ZINC000897054202 583874594 /nfs/dbraw/zinc/87/45/94/583874594.db2.gz WIZCESVEPINIJF-WDEREUQCSA-N 1 2 249.314 1.033 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CC12CC(O)C2 ZINC000897086299 583878522 /nfs/dbraw/zinc/87/85/22/583878522.db2.gz CVIKUMWELGCQRY-XEVUQIKYSA-N 1 2 235.287 1.119 20 0 BDADLO CCC1(C(=O)NC2=[NH+]CCS2)CCC1 ZINC000751224876 583886841 /nfs/dbraw/zinc/88/68/41/583886841.db2.gz ACDDBMOXUFJSJM-UHFFFAOYSA-N 1 2 212.318 1.786 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccnc(F)c2C)nn1 ZINC000862413608 583962608 /nfs/dbraw/zinc/96/26/08/583962608.db2.gz UBKLSKIVDFLNOK-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO CN(C)c1cc(N[C@H]2COC[C@@H]2C2CC2)[nH+]cn1 ZINC000897452418 583986091 /nfs/dbraw/zinc/98/60/91/583986091.db2.gz WYVPXWKARCTXBL-MNOVXSKESA-N 1 2 248.330 1.380 20 0 BDADLO CN(C)c1cc(N[C@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897452418 583986093 /nfs/dbraw/zinc/98/60/93/583986093.db2.gz WYVPXWKARCTXBL-MNOVXSKESA-N 1 2 248.330 1.380 20 0 BDADLO Cc1cc(N[C@@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897446071 583986277 /nfs/dbraw/zinc/98/62/77/583986277.db2.gz BTZNUZLUQKCGBX-WDEREUQCSA-N 1 2 219.288 1.622 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1=O ZINC000863304724 583988135 /nfs/dbraw/zinc/98/81/35/583988135.db2.gz MJWCVKQEENGGKD-SDDRHHMPSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)C1=O ZINC000863304724 583988136 /nfs/dbraw/zinc/98/81/36/583988136.db2.gz MJWCVKQEENGGKD-SDDRHHMPSA-N 1 2 238.331 1.066 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889590068 583990559 /nfs/dbraw/zinc/99/05/59/583990559.db2.gz GXBOJGYRQCPNGA-YNEHKIRRSA-N 1 2 247.342 1.968 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729385438 583996664 /nfs/dbraw/zinc/99/66/64/583996664.db2.gz GICOZZHRZKHMJK-JXDHDYMSSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729385438 583996667 /nfs/dbraw/zinc/99/66/67/583996667.db2.gz GICOZZHRZKHMJK-JXDHDYMSSA-N 1 2 240.347 1.180 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC/C=C\Cl)c1 ZINC000897504690 583998417 /nfs/dbraw/zinc/99/84/17/583998417.db2.gz YGBJXZOOOKSUNT-RQOWECAXSA-N 1 2 240.690 1.962 20 0 BDADLO CO[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897512690 583999246 /nfs/dbraw/zinc/99/92/46/583999246.db2.gz XYVVVGNXJINRNI-SNVBAGLBSA-N 1 2 239.319 1.078 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889592880 584010125 /nfs/dbraw/zinc/01/01/25/584010125.db2.gz LOXQDWOZRYPSLS-GMTAPVOTSA-N 1 2 219.288 1.188 20 0 BDADLO Fc1ccc(NCCCn2cc[nH+]c2)nn1 ZINC000865397019 584017470 /nfs/dbraw/zinc/01/74/70/584017470.db2.gz ABNQEJARCATSLP-UHFFFAOYSA-N 1 2 221.239 1.314 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@@H](C)OC)CC(C)C ZINC000842035809 584021897 /nfs/dbraw/zinc/02/18/97/584021897.db2.gz FBYOEUBTEHKYRK-NXEZZACHSA-N 1 2 232.324 1.581 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000889593929 584023599 /nfs/dbraw/zinc/02/35/99/584023599.db2.gz RPTBCVUKOCRHBN-KXUCPTDWSA-N 1 2 219.288 1.637 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(F)ccc(O)c2F)C[C@@H]1O ZINC000897681146 584038811 /nfs/dbraw/zinc/03/88/11/584038811.db2.gz PNQXTDBMLBHLOW-HQJQHLMTSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)C[C@@H]1O ZINC000897681146 584038813 /nfs/dbraw/zinc/03/88/13/584038813.db2.gz PNQXTDBMLBHLOW-HQJQHLMTSA-N 1 2 243.253 1.483 20 0 BDADLO Cc1ccoc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897785958 584048197 /nfs/dbraw/zinc/04/81/97/584048197.db2.gz DJDJTIACPOEPJT-UHFFFAOYSA-N 1 2 234.299 1.395 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000897833255 584052139 /nfs/dbraw/zinc/05/21/39/584052139.db2.gz BXTAZWSMLQGTJE-LPEHRKFASA-N 1 2 217.309 1.341 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CC[C@H]1SC)C(=O)OC ZINC000897833882 584052736 /nfs/dbraw/zinc/05/27/36/584052736.db2.gz BJTLQCVVPPHBNK-IVZWLZJFSA-N 1 2 231.361 1.812 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000897834481 584052739 /nfs/dbraw/zinc/05/27/39/584052739.db2.gz QJINIEVGHHWKPA-UTUOFQBUSA-N 1 2 243.347 1.875 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C(=O)OC ZINC000897834479 584052773 /nfs/dbraw/zinc/05/27/73/584052773.db2.gz QJINIEVGHHWKPA-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@](C)(C[NH2+]C1(c2nc(C)no2)CC1)OC ZINC000897896396 584058320 /nfs/dbraw/zinc/05/83/20/584058320.db2.gz VUQQNYXZWXXNJQ-LLVKDONJSA-N 1 2 239.319 1.772 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](OC)C1 ZINC000858435176 588954186 /nfs/dbraw/zinc/95/41/86/588954186.db2.gz XXTRLBLECINBKD-SECBINFHSA-N 1 2 208.261 1.315 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc3nonc3c2)o1 ZINC000897991163 584072986 /nfs/dbraw/zinc/07/29/86/584072986.db2.gz KGYYRXLBYLJXRL-UHFFFAOYSA-N 1 2 244.254 1.809 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ccns1 ZINC000898025151 584075948 /nfs/dbraw/zinc/07/59/48/584075948.db2.gz GXQDYKRLKABYQI-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO Cn1c[nH+]c(CNCc2nc(C(C)(C)C)co2)c1 ZINC000898042415 584080319 /nfs/dbraw/zinc/08/03/19/584080319.db2.gz PWMRLYCURGMHSG-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cn(C)cn2)cn1 ZINC000898043463 584080354 /nfs/dbraw/zinc/08/03/54/584080354.db2.gz PVBBSPQRTXPCCX-UHFFFAOYSA-N 1 2 231.303 1.062 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cn(C)cn2)c(C)n1 ZINC000898042798 584080668 /nfs/dbraw/zinc/08/06/68/584080668.db2.gz XTDNDQPOJPJKEE-SECBINFHSA-N 1 2 245.330 1.678 20 0 BDADLO CC(C)n1cncc1C[NH2+]Cc1cn(C)cn1 ZINC000898043492 584081129 /nfs/dbraw/zinc/08/11/29/584081129.db2.gz RAMUWSGJSPUKLN-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187369 584093826 /nfs/dbraw/zinc/09/38/26/584093826.db2.gz FPKBSBGEGMVBGT-GHMZBOCLSA-N 1 2 242.269 1.313 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898187369 584093829 /nfs/dbraw/zinc/09/38/29/584093829.db2.gz FPKBSBGEGMVBGT-GHMZBOCLSA-N 1 2 242.269 1.313 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1F ZINC000898187526 584093933 /nfs/dbraw/zinc/09/39/33/584093933.db2.gz GKVWSHPHQLEVPB-CMPLNLGQSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1F ZINC000898187526 584093935 /nfs/dbraw/zinc/09/39/35/584093935.db2.gz GKVWSHPHQLEVPB-CMPLNLGQSA-N 1 2 243.253 1.436 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898194220 584096049 /nfs/dbraw/zinc/09/60/49/584096049.db2.gz WHVOBJYDZYNOEW-NXEZZACHSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898194220 584096051 /nfs/dbraw/zinc/09/60/51/584096051.db2.gz WHVOBJYDZYNOEW-NXEZZACHSA-N 1 2 213.252 1.493 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC=C(Cl)C1 ZINC000898197327 584097964 /nfs/dbraw/zinc/09/79/64/584097964.db2.gz OFXZIUHEYCKPFR-UHFFFAOYSA-N 1 2 239.706 1.697 20 0 BDADLO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cn[nH]c2C)C1 ZINC000858473117 588958351 /nfs/dbraw/zinc/95/83/51/588958351.db2.gz NHOZMSMQIFDJFY-KCJUWKMLSA-N 1 2 249.314 1.631 20 0 BDADLO CCn1ncnc1C[NH2+]C/C=C\Cl ZINC000898424218 584132175 /nfs/dbraw/zinc/13/21/75/584132175.db2.gz CGZAKQPLYBQCSX-ARJAWSKDSA-N 1 2 200.673 1.140 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccoc1 ZINC000898485762 584139308 /nfs/dbraw/zinc/13/93/08/584139308.db2.gz NJZDUSJMCFLQAI-LLVKDONJSA-N 1 2 240.278 1.443 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccoc1 ZINC000898485762 584139310 /nfs/dbraw/zinc/13/93/10/584139310.db2.gz NJZDUSJMCFLQAI-LLVKDONJSA-N 1 2 240.278 1.443 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]12CC(=O)N[C@H]1CCCC2 ZINC000898467665 584139408 /nfs/dbraw/zinc/13/94/08/584139408.db2.gz OSDGZCGBYTUKIU-WCQYABFASA-N 1 2 248.330 1.009 20 0 BDADLO CC1CC(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC000898494397 584140332 /nfs/dbraw/zinc/14/03/32/584140332.db2.gz ALZFEUKEILHUBB-HTAVTVPLSA-N 1 2 242.338 1.583 20 0 BDADLO CC1CC(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898494397 584140333 /nfs/dbraw/zinc/14/03/33/584140333.db2.gz ALZFEUKEILHUBB-HTAVTVPLSA-N 1 2 242.338 1.583 20 0 BDADLO OC1(C(F)(F)C[NH2+][C@H]2CCOC2)CCCCC1 ZINC000898526727 584141456 /nfs/dbraw/zinc/14/14/56/584141456.db2.gz XBFBEJWEODXNEK-JTQLQIEISA-N 1 2 249.301 1.695 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000898612077 584146478 /nfs/dbraw/zinc/14/64/78/584146478.db2.gz DQMPHZMJYSXGSX-ZYHUDNBSSA-N 1 2 248.330 1.574 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898628091 584147313 /nfs/dbraw/zinc/14/73/13/584147313.db2.gz QLOGFWVZGPNRDH-UWVGGRQHSA-N 1 2 236.319 1.360 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884405 584163932 /nfs/dbraw/zinc/16/39/32/584163932.db2.gz QJBDJMKVBYPDJQ-NXEZZACHSA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)(CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC000898903875 584165047 /nfs/dbraw/zinc/16/50/47/584165047.db2.gz MJBSUFISCYAZKA-GDNZZTSVSA-N 1 2 247.342 1.781 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898897065 584165268 /nfs/dbraw/zinc/16/52/68/584165268.db2.gz ZXAVIROWZGHWIF-ZJUUUORDSA-N 1 2 239.319 1.006 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H]2C)c[nH+]1 ZINC000899199102 584180272 /nfs/dbraw/zinc/18/02/72/584180272.db2.gz BAYAHLYSEVYHPR-JTQLQIEISA-N 1 2 221.304 1.547 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899203926 584181391 /nfs/dbraw/zinc/18/13/91/584181391.db2.gz WSCVFZRHDYFWPL-ANDSXOESSA-N 1 2 231.299 1.762 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899203926 584181392 /nfs/dbraw/zinc/18/13/92/584181392.db2.gz WSCVFZRHDYFWPL-ANDSXOESSA-N 1 2 231.299 1.762 20 0 BDADLO CCCCCNC(=O)CNc1cccc[nH+]1 ZINC000899904748 584251191 /nfs/dbraw/zinc/25/11/91/584251191.db2.gz QPZQNHDSZOAJRL-UHFFFAOYSA-N 1 2 221.304 1.800 20 0 BDADLO CC(C)CCNC(=O)CNc1cccc[nH+]1 ZINC000899921043 584256421 /nfs/dbraw/zinc/25/64/21/584256421.db2.gz YYELSODFNUUOSD-UHFFFAOYSA-N 1 2 221.304 1.656 20 0 BDADLO CCC[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000900075666 584269343 /nfs/dbraw/zinc/26/93/43/584269343.db2.gz BMEBTJAGRODCPP-SNVBAGLBSA-N 1 2 221.304 1.798 20 0 BDADLO CCCCN(C)C(=O)CNc1cccc[nH+]1 ZINC000900096300 584273373 /nfs/dbraw/zinc/27/33/73/584273373.db2.gz YTXUBAMUNJZXFD-UHFFFAOYSA-N 1 2 221.304 1.752 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900116720 584274270 /nfs/dbraw/zinc/27/42/70/584274270.db2.gz VQBKPRVKGBXPAU-VIFPVBQESA-N 1 2 209.293 1.455 20 0 BDADLO CCN(CC(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900144926 584278022 /nfs/dbraw/zinc/27/80/22/584278022.db2.gz SLGCSDVXMRWETN-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO C/C(Cl)=C\C(=O)NCCn1cc[nH+]c1 ZINC000900193550 584284629 /nfs/dbraw/zinc/28/46/29/584284629.db2.gz NGGYPTNJKZCEAG-SOFGYWHQSA-N 1 2 213.668 1.142 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000900214211 584286335 /nfs/dbraw/zinc/28/63/35/584286335.db2.gz BPXRMAIIESEBPU-QRJSTWQJSA-N 1 2 227.695 1.530 20 0 BDADLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000900233860 584287794 /nfs/dbraw/zinc/28/77/94/584287794.db2.gz OKPLSUYAOOKZSY-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO C/C=C\[C@@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000900322419 584294737 /nfs/dbraw/zinc/29/47/37/584294737.db2.gz ISSZLMJRCRDTBG-AYYIZTPMSA-N 1 2 235.287 1.023 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900378689 584299210 /nfs/dbraw/zinc/29/92/10/584299210.db2.gz MUTBUDIDOIWATG-LLVKDONJSA-N 1 2 221.304 1.599 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000900446413 584311788 /nfs/dbraw/zinc/31/17/88/584311788.db2.gz MUIXCBIZNYKECS-GGYDMKNQSA-N 1 2 249.314 1.400 20 0 BDADLO CC(C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900458899 584314031 /nfs/dbraw/zinc/31/40/31/584314031.db2.gz ADMZSBCLGDQBBF-LBPRGKRZSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cccc(CCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000900467989 584314616 /nfs/dbraw/zinc/31/46/16/584314616.db2.gz OCLXMLOBRAEEKT-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO Cc1cccc(CCNC(=O)Cc2c[nH+]c[nH]2)c1 ZINC000900467989 584314617 /nfs/dbraw/zinc/31/46/17/584314617.db2.gz OCLXMLOBRAEEKT-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO CCc1cc(N[C@H]2CC=C(C(=O)OC)C2)nc[nH+]1 ZINC000858689674 588974359 /nfs/dbraw/zinc/97/43/59/588974359.db2.gz ITYVBEHEBNSYFL-NSHDSACASA-N 1 2 247.298 1.713 20 0 BDADLO c1cn(CCCn2cc(C3CCC3)nn2)c[nH+]1 ZINC000900544341 584324405 /nfs/dbraw/zinc/32/44/05/584324405.db2.gz FETCANLOICAYRO-UHFFFAOYSA-N 1 2 231.303 1.832 20 0 BDADLO C/C(=C(/F)C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000900560156 584329126 /nfs/dbraw/zinc/32/91/26/584329126.db2.gz CMDOYVKJQSUOCD-FLIBITNWSA-N 1 2 237.278 1.690 20 0 BDADLO CCc1nnc(C(=O)Nc2cc[nH+]cc2C)s1 ZINC000900617544 584332628 /nfs/dbraw/zinc/33/26/28/584332628.db2.gz RPIPGTPREHHHHX-UHFFFAOYSA-N 1 2 248.311 1.478 20 0 BDADLO CCN(CC1CC1)C(=O)CNc1cccc[nH+]1 ZINC000900674209 584340497 /nfs/dbraw/zinc/34/04/97/584340497.db2.gz JGQQEYHVTSDXQJ-UHFFFAOYSA-N 1 2 233.315 1.752 20 0 BDADLO CC(C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900744206 584348079 /nfs/dbraw/zinc/34/80/79/584348079.db2.gz CIKHWVOSDMKEBA-LBPRGKRZSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCOC[C@H]2O)cc[nH+]1 ZINC000858815043 588977081 /nfs/dbraw/zinc/97/70/81/588977081.db2.gz DMEWTRJTOFTPBY-NXEZZACHSA-N 1 2 237.303 1.162 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000900846185 584356879 /nfs/dbraw/zinc/35/68/79/584356879.db2.gz GBVAUFNJEGAXRR-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000900846185 584356880 /nfs/dbraw/zinc/35/68/80/584356880.db2.gz GBVAUFNJEGAXRR-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)CNc3cccc[nH+]3)C[C@@H]21 ZINC000900847147 584356949 /nfs/dbraw/zinc/35/69/49/584356949.db2.gz WWCOLJVICYNRBK-PHIMTYICSA-N 1 2 245.326 1.608 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C2CCCC1CCC2 ZINC000900848734 584357523 /nfs/dbraw/zinc/35/75/23/584357523.db2.gz NDHUUWZANMXHNL-UHFFFAOYSA-N 1 2 233.315 1.886 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N(C)C2CCC2)c[nH+]1 ZINC000900854897 584358139 /nfs/dbraw/zinc/35/81/39/584358139.db2.gz MLGCKPJHNVREDN-UHFFFAOYSA-N 1 2 235.331 1.938 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC2(CCCC2)C1 ZINC000900883446 584360832 /nfs/dbraw/zinc/36/08/32/584360832.db2.gz ZJYTYUPJGMBYBS-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C2CC2)C1 ZINC000901265020 584417798 /nfs/dbraw/zinc/41/77/98/584417798.db2.gz CRXSGOVIZCDJGZ-SNVBAGLBSA-N 1 2 219.288 1.211 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1cncc(F)c1 ZINC000901342865 584428122 /nfs/dbraw/zinc/42/81/22/584428122.db2.gz BCHAQKMRPCUAAJ-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)c1cncc(F)c1 ZINC000901342865 584428123 /nfs/dbraw/zinc/42/81/23/584428123.db2.gz BCHAQKMRPCUAAJ-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO Cn1c[nH+]cc1C=Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000901506029 584456025 /nfs/dbraw/zinc/45/60/25/584456025.db2.gz JKXREJTUNGQTQW-PLNGDYQASA-N 1 2 242.282 1.964 20 0 BDADLO CC(C)n1c[nH+]cc1/C=C1\SC(=N)NC1=O ZINC000901538490 584460645 /nfs/dbraw/zinc/46/06/45/584460645.db2.gz FUIKMHBTQFRSPQ-BAQGIRSFSA-N 1 2 236.300 1.603 20 0 BDADLO CCc1cc(N)nc(S[C@@H](C)OC)[nH+]1 ZINC000901546000 584463812 /nfs/dbraw/zinc/46/38/12/584463812.db2.gz ATGAOZAPFWZTTK-LURJTMIESA-N 1 2 213.306 1.706 20 0 BDADLO CC[C@@H]([NH2+]C[C@]1(C)CCCCO1)C(=O)OC ZINC000901605487 584469113 /nfs/dbraw/zinc/46/91/13/584469113.db2.gz AHDRFVIVBRWPSH-PWSUYJOCSA-N 1 2 229.320 1.487 20 0 BDADLO c1cn(C2CC2)c(CNc2nncs2)[nH+]1 ZINC000902035442 584514807 /nfs/dbraw/zinc/51/48/07/584514807.db2.gz OFPCDCGFMVGMMF-UHFFFAOYSA-N 1 2 221.289 1.682 20 0 BDADLO Cc1[nH]c(CNc2nnc3ccccn32)[nH+]c1C ZINC000902053179 584517949 /nfs/dbraw/zinc/51/79/49/584517949.db2.gz GWKPFYGPVUENCN-UHFFFAOYSA-N 1 2 242.286 1.681 20 0 BDADLO CCc1noc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000902097921 584525093 /nfs/dbraw/zinc/52/50/93/584525093.db2.gz RJTPVIUCYQHTJL-UHFFFAOYSA-N 1 2 221.264 1.584 20 0 BDADLO Cn1cccc(NCc2[nH+]ccn2C2CC2)c1=O ZINC000902210716 584535281 /nfs/dbraw/zinc/53/52/81/584535281.db2.gz YUTVJKYWCNSONT-UHFFFAOYSA-N 1 2 244.298 1.529 20 0 BDADLO COCc1cc(CNc2cc(C)[nH+]cn2)no1 ZINC000902195023 584536920 /nfs/dbraw/zinc/53/69/20/584536920.db2.gz JWUDEBTVJHTKFT-UHFFFAOYSA-N 1 2 234.259 1.532 20 0 BDADLO Cc1ccn(C)c(=O)c1NCc1c[nH+]cn1C ZINC000902254008 584544377 /nfs/dbraw/zinc/54/43/77/584544377.db2.gz AFHICKKKXWLEKZ-UHFFFAOYSA-N 1 2 232.287 1.039 20 0 BDADLO CCn1cnc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000902333244 584563459 /nfs/dbraw/zinc/56/34/59/584563459.db2.gz JFXWTKVOSFHBTD-GFCCVEGCSA-N 1 2 245.330 1.793 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@H]1CNC(=O)C1 ZINC000902353045 584569543 /nfs/dbraw/zinc/56/95/43/584569543.db2.gz FXEDOXWQZUELAP-SNVBAGLBSA-N 1 2 234.299 1.467 20 0 BDADLO CC(=O)NCCCCCOc1cc[nH+]cc1 ZINC000902354323 584569591 /nfs/dbraw/zinc/56/95/91/584569591.db2.gz FDUVBEMFLVRBFW-UHFFFAOYSA-N 1 2 222.288 1.767 20 0 BDADLO CCc1nnc([C@H](C)NCc2cn(CC)c[nH+]2)[nH]1 ZINC000902432764 584595329 /nfs/dbraw/zinc/59/53/29/584595329.db2.gz XXDIBPNHJUJKFB-VIFPVBQESA-N 1 2 248.334 1.434 20 0 BDADLO CCNc1ccccc1C[NH2+]Cc1ncn(C)n1 ZINC000902445924 584598854 /nfs/dbraw/zinc/59/88/54/584598854.db2.gz NHRVVPRPUVEXOE-UHFFFAOYSA-N 1 2 245.330 1.537 20 0 BDADLO CNc1ccc(C)cc1C[NH2+]CC(F)(F)CO ZINC000902490128 584617645 /nfs/dbraw/zinc/61/76/45/584617645.db2.gz STFPMDRCENSYNC-UHFFFAOYSA-N 1 2 244.285 1.754 20 0 BDADLO C[C@H]([NH2+]Cc1csc(N)n1)c1cnn(C)c1 ZINC000902487767 584626675 /nfs/dbraw/zinc/62/66/75/584626675.db2.gz DSDVKIPAOGOFDN-ZETCQYMHSA-N 1 2 237.332 1.310 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cc(C)nn2C)c1 ZINC000902537422 584628154 /nfs/dbraw/zinc/62/81/54/584628154.db2.gz NRRVWKOLBMOYCD-UHFFFAOYSA-N 1 2 233.319 1.235 20 0 BDADLO CCn1c[nH+]c(CN[C@H](C)C(F)(F)F)c1 ZINC000902561407 584634596 /nfs/dbraw/zinc/63/45/96/584634596.db2.gz HASOKPZHBXTCJD-SSDOTTSWSA-N 1 2 221.226 1.943 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cn1ccc(-c2cccs2)n1 ZINC000902632831 584647944 /nfs/dbraw/zinc/64/79/44/584647944.db2.gz PNQCZBOPGKNUIC-SNVBAGLBSA-N 1 2 249.339 1.636 20 0 BDADLO OC[C@H]1CC[N@H+]1Cn1ccc(-c2cccs2)n1 ZINC000902632831 584647945 /nfs/dbraw/zinc/64/79/45/584647945.db2.gz PNQCZBOPGKNUIC-SNVBAGLBSA-N 1 2 249.339 1.636 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)[C@H]1CCCO1 ZINC000902738355 584662666 /nfs/dbraw/zinc/66/26/66/584662666.db2.gz IIPYKBKVZLIYBE-NAZIUFLLSA-N 1 2 228.292 1.257 20 0 BDADLO CCNC(=O)COc1ccc2c(c1)[nH+]cn2C ZINC000902779457 584669865 /nfs/dbraw/zinc/66/98/65/584669865.db2.gz BVOGEWWVBQHCTD-UHFFFAOYSA-N 1 2 233.271 1.088 20 0 BDADLO Cn1nc(C[N@H+](C)C[C@@H]2CCCO2)cc1Cl ZINC000859078498 588998112 /nfs/dbraw/zinc/99/81/12/588998112.db2.gz BBDPRNUGAUYSAV-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO Cn1nc(C[N@@H+](C)C[C@@H]2CCCO2)cc1Cl ZINC000859078498 588998113 /nfs/dbraw/zinc/99/81/13/588998113.db2.gz BBDPRNUGAUYSAV-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H](C[N@@H+]1CCC[C@H](F)C1)CS(C)(=O)=O ZINC000902998024 584714558 /nfs/dbraw/zinc/71/45/58/584714558.db2.gz DXYSPZJBDSGKDK-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@@H](C[N@H+]1CCC[C@H](F)C1)CS(C)(=O)=O ZINC000902998024 584714560 /nfs/dbraw/zinc/71/45/60/584714560.db2.gz DXYSPZJBDSGKDK-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902999078 584714975 /nfs/dbraw/zinc/71/49/75/584714975.db2.gz VDTYNQYZXIWYAD-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902999078 584714977 /nfs/dbraw/zinc/71/49/77/584714977.db2.gz VDTYNQYZXIWYAD-LLVKDONJSA-N 1 2 244.354 1.973 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](F)C1)N1CCCCC1 ZINC000903002174 584716216 /nfs/dbraw/zinc/71/62/16/584716216.db2.gz XHJHNIQNWBBLRP-LLVKDONJSA-N 1 2 228.311 1.433 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)N1CCCCC1 ZINC000903002174 584716217 /nfs/dbraw/zinc/71/62/17/584716217.db2.gz XHJHNIQNWBBLRP-LLVKDONJSA-N 1 2 228.311 1.433 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903002315 584716297 /nfs/dbraw/zinc/71/62/97/584716297.db2.gz AGHTWUJECNSSFI-JTQLQIEISA-N 1 2 230.327 1.725 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903002315 584716298 /nfs/dbraw/zinc/71/62/98/584716298.db2.gz AGHTWUJECNSSFI-JTQLQIEISA-N 1 2 230.327 1.725 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003393 584716934 /nfs/dbraw/zinc/71/69/34/584716934.db2.gz NHCKTQXYMLBDAJ-JTQLQIEISA-N 1 2 216.300 1.289 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003393 584716935 /nfs/dbraw/zinc/71/69/35/584716935.db2.gz NHCKTQXYMLBDAJ-JTQLQIEISA-N 1 2 216.300 1.289 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cn(C)nn1 ZINC000903082728 584724977 /nfs/dbraw/zinc/72/49/77/584724977.db2.gz VTTWADVINCHOEZ-RRKCRQDMSA-N 1 2 234.225 1.417 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000903296082 584743275 /nfs/dbraw/zinc/74/32/75/584743275.db2.gz BJCQKHHLSNXKLQ-IVZWLZJFSA-N 1 2 226.276 1.129 20 0 BDADLO Cc1cc([C@H](C)NC[C@@H]2CC[N@@H+]2C)no1 ZINC000903317123 584750179 /nfs/dbraw/zinc/75/01/79/584750179.db2.gz JWYWYMRQMDNJPX-UWVGGRQHSA-N 1 2 209.293 1.338 20 0 BDADLO Cc1cc([C@H](C)NC[C@@H]2CC[N@H+]2C)no1 ZINC000903317123 584750181 /nfs/dbraw/zinc/75/01/81/584750181.db2.gz JWYWYMRQMDNJPX-UWVGGRQHSA-N 1 2 209.293 1.338 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccco1 ZINC000903336157 584751548 /nfs/dbraw/zinc/75/15/48/584751548.db2.gz IVWWSGIFROQBKA-VIFPVBQESA-N 1 2 235.287 1.873 20 0 BDADLO Cc1nc2c(o1)CCC[C@@H]2NCc1cn(C)c[nH+]1 ZINC000903351545 584755127 /nfs/dbraw/zinc/75/51/27/584755127.db2.gz LUVGDMCFHXEEGY-NSHDSACASA-N 1 2 246.314 1.884 20 0 BDADLO COc1cc([C@H](C)NCc2cn(C)c[nH+]2)on1 ZINC000903351191 584755169 /nfs/dbraw/zinc/75/51/69/584755169.db2.gz IPGZWAUAJXANAB-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cn(C)cn2)on1 ZINC000903351191 584755171 /nfs/dbraw/zinc/75/51/71/584755171.db2.gz IPGZWAUAJXANAB-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO Cc1nc2c(o1)CCC[C@H]2NCc1cn(C)c[nH+]1 ZINC000903351544 584755297 /nfs/dbraw/zinc/75/52/97/584755297.db2.gz LUVGDMCFHXEEGY-LLVKDONJSA-N 1 2 246.314 1.884 20 0 BDADLO COc1ccnc([C@H](C)[NH2+]Cc2cn(C)cn2)c1 ZINC000903351595 584755401 /nfs/dbraw/zinc/75/54/01/584755401.db2.gz MUBQJLVTKRULMU-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO C[C@@H]1CCCC[C@@H]1OCCN1CC=CC[NH2+]1 ZINC000903488539 584780384 /nfs/dbraw/zinc/78/03/84/584780384.db2.gz ISVOMHBWHLRONA-OLZOCXBDSA-N 1 2 224.348 1.958 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856192 584808764 /nfs/dbraw/zinc/80/87/64/584808764.db2.gz QIKITQPULRUASU-KGLIPLIRSA-N 1 2 248.374 1.395 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856192 584808765 /nfs/dbraw/zinc/80/87/65/584808765.db2.gz QIKITQPULRUASU-KGLIPLIRSA-N 1 2 248.374 1.395 20 0 BDADLO CC[C@](C)(O)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000904106694 584841489 /nfs/dbraw/zinc/84/14/89/584841489.db2.gz RHOFHZPIGOQLRB-ZDUSSCGKSA-N 1 2 247.298 1.981 20 0 BDADLO Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C(=O)[O-])cn21 ZINC000904248643 584857093 /nfs/dbraw/zinc/85/70/93/584857093.db2.gz DTWOPNQUPMTQMD-JTQLQIEISA-N 1 2 247.298 1.248 20 0 BDADLO COC1C[NH+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000738225291 584885258 /nfs/dbraw/zinc/88/52/58/584885258.db2.gz MGKBFJPFXGEDEB-UHFFFAOYSA-N 1 2 245.326 1.941 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@@H](C)C2)nn1 ZINC000876752636 584886860 /nfs/dbraw/zinc/88/68/60/584886860.db2.gz VLVOEMIETIXISK-NSHDSACASA-N 1 2 238.335 1.156 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@@H](C)C2)nn1 ZINC000876752636 584886861 /nfs/dbraw/zinc/88/68/61/584886861.db2.gz VLVOEMIETIXISK-NSHDSACASA-N 1 2 238.335 1.156 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829334730 584907108 /nfs/dbraw/zinc/90/71/08/584907108.db2.gz JTJMELGICZTVDC-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO c1ccc(-n2nnnc2C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761085861 584909237 /nfs/dbraw/zinc/90/92/37/584909237.db2.gz CXRPMYIYCDVXKB-PWSUYJOCSA-N 1 2 241.298 1.257 20 0 BDADLO c1ccc(-n2nnnc2C[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761085861 584909238 /nfs/dbraw/zinc/90/92/38/584909238.db2.gz CXRPMYIYCDVXKB-PWSUYJOCSA-N 1 2 241.298 1.257 20 0 BDADLO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(Cl)cc1F ZINC000730432487 584911063 /nfs/dbraw/zinc/91/10/63/584911063.db2.gz IXVGYDOHNYETAZ-SSDOTTSWSA-N 1 2 244.697 1.785 20 0 BDADLO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000730432487 584911064 /nfs/dbraw/zinc/91/10/64/584911064.db2.gz IXVGYDOHNYETAZ-SSDOTTSWSA-N 1 2 244.697 1.785 20 0 BDADLO COCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907510 584931098 /nfs/dbraw/zinc/93/10/98/584931098.db2.gz IJAIKPZVTYPAGG-UHFFFAOYSA-N 1 2 220.228 1.138 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC(C(F)F)CC1 ZINC000766191773 584940063 /nfs/dbraw/zinc/94/00/63/584940063.db2.gz WDZKIXBUIZEVQX-QMMMGPOBSA-N 1 2 219.231 1.279 20 0 BDADLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000733294787 584946394 /nfs/dbraw/zinc/94/63/94/584946394.db2.gz CKWRMQLKSBEKLM-GFCCVEGCSA-N 1 2 240.347 1.171 20 0 BDADLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000733294787 584946395 /nfs/dbraw/zinc/94/63/95/584946395.db2.gz CKWRMQLKSBEKLM-GFCCVEGCSA-N 1 2 240.347 1.171 20 0 BDADLO Cc1noc(-c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000733739907 584953038 /nfs/dbraw/zinc/95/30/38/584953038.db2.gz FVHKNWKMOYZECA-UHFFFAOYSA-N 1 2 228.215 1.021 20 0 BDADLO CCc1nc(N[C@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000884486755 584954182 /nfs/dbraw/zinc/95/41/82/584954182.db2.gz DZZNWDSNKQOWJP-ZJUUUORDSA-N 1 2 221.304 1.876 20 0 BDADLO CCc1nc(NCc2ncnn2C(C)C)cc[nH+]1 ZINC000884493004 584954564 /nfs/dbraw/zinc/95/45/64/584954564.db2.gz JSYYEUQZTDEDQP-UHFFFAOYSA-N 1 2 246.318 1.824 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1=COCC1 ZINC000734129294 584958850 /nfs/dbraw/zinc/95/88/50/584958850.db2.gz OYEGDJXJQLIECW-UHFFFAOYSA-N 1 2 235.287 1.084 20 0 BDADLO Cc1cc(N[C@H](CO)C2CC2)nc(C2CC2)[nH+]1 ZINC000734833805 584969159 /nfs/dbraw/zinc/96/91/59/584969159.db2.gz PRKKZCQRRQOTHB-LLVKDONJSA-N 1 2 233.315 1.845 20 0 BDADLO COCC(=O)OCc1[nH+]cc(C)c(OC)c1C ZINC000736743709 585011297 /nfs/dbraw/zinc/01/12/97/585011297.db2.gz OXOZPTXPCSMDBD-UHFFFAOYSA-N 1 2 239.271 1.397 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000736859577 585018193 /nfs/dbraw/zinc/01/81/93/585018193.db2.gz DINVJAPDRWMUBC-WDEREUQCSA-N 1 2 237.303 1.383 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000736859577 585018194 /nfs/dbraw/zinc/01/81/94/585018194.db2.gz DINVJAPDRWMUBC-WDEREUQCSA-N 1 2 237.303 1.383 20 0 BDADLO CO[C@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000741969763 585018886 /nfs/dbraw/zinc/01/88/86/585018886.db2.gz JIBDAOBSWKOMJR-SECBINFHSA-N 1 2 233.271 1.698 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890104901 585023506 /nfs/dbraw/zinc/02/35/06/585023506.db2.gz STSLOSPFQCPIKX-ZYHUDNBSSA-N 1 2 235.331 1.719 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC2(C)C)c1 ZINC000890109360 585023785 /nfs/dbraw/zinc/02/37/85/585023785.db2.gz LMZIVQODJYLIAA-SECBINFHSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@H]1C[N@H+](CN2CCSC2=O)CCCO1 ZINC000738159963 585041421 /nfs/dbraw/zinc/04/14/21/585041421.db2.gz GUWQSNASFAOXSD-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCSC2=O)CCCO1 ZINC000738159963 585041422 /nfs/dbraw/zinc/04/14/22/585041422.db2.gz GUWQSNASFAOXSD-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO Nc1cc(COC(=O)/C=C\[C@@H]2CCOC2)cc[nH+]1 ZINC000838044165 585043628 /nfs/dbraw/zinc/04/36/28/585043628.db2.gz NDNKZFXVBCCXRZ-JWXWKVPASA-N 1 2 248.282 1.300 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838633004 585064052 /nfs/dbraw/zinc/06/40/52/585064052.db2.gz IQTHAXCAJZKCNL-GHMZBOCLSA-N 1 2 248.330 1.768 20 0 BDADLO CCC(C)(C)OCC(=O)OCc1c[nH+]cn1C ZINC000838809316 585070656 /nfs/dbraw/zinc/07/06/56/585070656.db2.gz DPVCAWGWAPUCCK-UHFFFAOYSA-N 1 2 240.303 1.669 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CC)n2)CCS1 ZINC000838841559 585074192 /nfs/dbraw/zinc/07/41/92/585074192.db2.gz FPZAGHQZGITYAA-LLVKDONJSA-N 1 2 240.376 1.625 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CC)n2)CCS1 ZINC000838841559 585074193 /nfs/dbraw/zinc/07/41/93/585074193.db2.gz FPZAGHQZGITYAA-LLVKDONJSA-N 1 2 240.376 1.625 20 0 BDADLO CCn1ncc(CNc2c[nH+]ccc2C)n1 ZINC000838981258 585083828 /nfs/dbraw/zinc/08/38/28/585083828.db2.gz VRYQWPMKRVQYHK-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCOC1CC([N@H+](C)Cc2cnn(CC)n2)C1 ZINC000839106902 585091241 /nfs/dbraw/zinc/09/12/41/585091241.db2.gz OIEZTLLMYLSATN-UHFFFAOYSA-N 1 2 238.335 1.297 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2cnn(CC)n2)C1 ZINC000839106902 585091242 /nfs/dbraw/zinc/09/12/42/585091242.db2.gz OIEZTLLMYLSATN-UHFFFAOYSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@@H+]2CCCC[C@@H]2COC)n1 ZINC000839130760 585093851 /nfs/dbraw/zinc/09/38/51/585093851.db2.gz XSZOWSVTJUMWQM-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+]2CCCC[C@@H]2COC)n1 ZINC000839130760 585093852 /nfs/dbraw/zinc/09/38/52/585093852.db2.gz XSZOWSVTJUMWQM-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201304 585099478 /nfs/dbraw/zinc/09/94/78/585099478.db2.gz IZEZFXCVZODPRS-UWVGGRQHSA-N 1 2 229.345 1.519 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201304 585099479 /nfs/dbraw/zinc/09/94/79/585099479.db2.gz IZEZFXCVZODPRS-UWVGGRQHSA-N 1 2 229.345 1.519 20 0 BDADLO C[N@H+](C/C=C\Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000741053791 585110176 /nfs/dbraw/zinc/11/01/76/585110176.db2.gz ANIRGCCBQBKAAQ-MDHMXLOGSA-N 1 2 237.752 1.105 20 0 BDADLO C[N@@H+](C/C=C\Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000741053791 585110177 /nfs/dbraw/zinc/11/01/77/585110177.db2.gz ANIRGCCBQBKAAQ-MDHMXLOGSA-N 1 2 237.752 1.105 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886183767 585111019 /nfs/dbraw/zinc/11/10/19/585111019.db2.gz MTWJNCLNSABCMF-ZMLRMANQSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886183767 585111020 /nfs/dbraw/zinc/11/10/20/585111020.db2.gz MTWJNCLNSABCMF-ZMLRMANQSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1C ZINC000741807225 585119970 /nfs/dbraw/zinc/11/99/70/585119970.db2.gz XNEMKTJIEIVQMO-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1C ZINC000741807225 585119971 /nfs/dbraw/zinc/11/99/71/585119971.db2.gz XNEMKTJIEIVQMO-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000742255162 585123646 /nfs/dbraw/zinc/12/36/46/585123646.db2.gz QKXWJRANSGHXGS-SNVBAGLBSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1COCC[N@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000742255162 585123647 /nfs/dbraw/zinc/12/36/47/585123647.db2.gz QKXWJRANSGHXGS-SNVBAGLBSA-N 1 2 240.347 1.312 20 0 BDADLO CC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000745989215 585162321 /nfs/dbraw/zinc/16/23/21/585162321.db2.gz SGFQAFSNEJNJGO-RKDXNWHRSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000745989215 585162322 /nfs/dbraw/zinc/16/23/22/585162322.db2.gz SGFQAFSNEJNJGO-RKDXNWHRSA-N 1 2 239.237 1.617 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)COC1(C)CCC1 ZINC000746168159 585164332 /nfs/dbraw/zinc/16/43/32/585164332.db2.gz VSKBFNIXYUOCFK-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO C/C(=C\C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000746244513 585166278 /nfs/dbraw/zinc/16/62/78/585166278.db2.gz RPUMOVXQBFDGMV-CMDGGOBGSA-N 1 2 219.288 1.425 20 0 BDADLO C[N@H+](CCF)[C@H]1CCN(c2ccccc2)C1=O ZINC000746506359 585169547 /nfs/dbraw/zinc/16/95/47/585169547.db2.gz ULXWBZBSMJYSTJ-LBPRGKRZSA-N 1 2 236.290 1.693 20 0 BDADLO C[N@@H+](CCF)[C@H]1CCN(c2ccccc2)C1=O ZINC000746506359 585169548 /nfs/dbraw/zinc/16/95/48/585169548.db2.gz ULXWBZBSMJYSTJ-LBPRGKRZSA-N 1 2 236.290 1.693 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cn1ccsc1=O ZINC000746615994 585171182 /nfs/dbraw/zinc/17/11/82/585171182.db2.gz SZUCNMOIJKKXCY-QMMMGPOBSA-N 1 2 230.358 1.305 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cn1ccsc1=O ZINC000746615994 585171183 /nfs/dbraw/zinc/17/11/83/585171183.db2.gz SZUCNMOIJKKXCY-QMMMGPOBSA-N 1 2 230.358 1.305 20 0 BDADLO O=C(NCc1ccon1)c1ccc2[nH+]ccn2c1 ZINC000747335452 585177988 /nfs/dbraw/zinc/17/79/88/585177988.db2.gz WOZYXZVZUIJISK-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO CCC/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747400715 585178473 /nfs/dbraw/zinc/17/84/73/585178473.db2.gz LGCNQTPYUOGKND-FYJFLYSWSA-N 1 2 235.331 1.992 20 0 BDADLO COc1ccc(C[NH2+]NC2=[NH+]C=C([O-])C2)cc1 ZINC000747633322 585181371 /nfs/dbraw/zinc/18/13/71/585181371.db2.gz OAGYTIREXRYLOF-UHFFFAOYSA-N 1 2 233.271 1.143 20 0 BDADLO COc1ccc(C(=O)OCc2c[nH+]cn2C)cc1 ZINC000747784372 585184357 /nfs/dbraw/zinc/18/43/57/585184357.db2.gz ZXTSWMFBXBDQOB-UHFFFAOYSA-N 1 2 246.266 1.786 20 0 BDADLO CCC(CC)C(=O)OCc1c[nH+]cn1C ZINC000747779918 585184373 /nfs/dbraw/zinc/18/43/73/585184373.db2.gz HLDWTCLLJWUQHV-UHFFFAOYSA-N 1 2 210.277 1.900 20 0 BDADLO C[C@H](CC(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000747784337 585184392 /nfs/dbraw/zinc/18/43/92/585184392.db2.gz ZFNWMSPAMDQQIY-SECBINFHSA-N 1 2 222.288 1.900 20 0 BDADLO Cn1ncnc1CO[NH+]=C(N)c1cccc(F)c1 ZINC000748097977 585187066 /nfs/dbraw/zinc/18/70/66/585187066.db2.gz UVVMHOYYFZVHOQ-UHFFFAOYSA-N 1 2 249.249 1.001 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCCS2)CC[N@@H+]1C ZINC000748344681 585191133 /nfs/dbraw/zinc/19/11/33/585191133.db2.gz FHWWKLQYZOHLDS-VHSXEESVSA-N 1 2 228.361 1.045 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCCS2)CC[N@H+]1C ZINC000748344681 585191134 /nfs/dbraw/zinc/19/11/34/585191134.db2.gz FHWWKLQYZOHLDS-VHSXEESVSA-N 1 2 228.361 1.045 20 0 BDADLO C[N@H+](CN1C(=O)C(C)(C)C1(C)C)[C@H]1CCOC1 ZINC000749168681 585200388 /nfs/dbraw/zinc/20/03/88/585200388.db2.gz QZHQNBGNACXBKV-JTQLQIEISA-N 1 2 240.347 1.312 20 0 BDADLO C[N@@H+](CN1C(=O)C(C)(C)C1(C)C)[C@H]1CCOC1 ZINC000749168681 585200389 /nfs/dbraw/zinc/20/03/89/585200389.db2.gz QZHQNBGNACXBKV-JTQLQIEISA-N 1 2 240.347 1.312 20 0 BDADLO OCCCC[NH+]1CCN(CCC2CC2)CC1 ZINC000750053379 585209921 /nfs/dbraw/zinc/20/99/21/585209921.db2.gz INHZRSTUAOFIMA-UHFFFAOYSA-N 1 2 226.364 1.177 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@H+](C)[C@H](C)C2)o1 ZINC000751069199 585223844 /nfs/dbraw/zinc/22/38/44/585223844.db2.gz DIORWIYKCFEWPS-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000751069199 585223845 /nfs/dbraw/zinc/22/38/45/585223845.db2.gz DIORWIYKCFEWPS-MRVPVSSYSA-N 1 2 237.303 1.068 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000751373788 585227969 /nfs/dbraw/zinc/22/79/69/585227969.db2.gz SQLNDCWDOTXBON-VZUCSPMQSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000751373788 585227970 /nfs/dbraw/zinc/22/79/70/585227970.db2.gz SQLNDCWDOTXBON-VZUCSPMQSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000751385863 585229098 /nfs/dbraw/zinc/22/90/98/585229098.db2.gz HTFUQDHVYZRSTG-CGGZTBSLSA-N 1 2 221.304 1.602 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000751827858 585237394 /nfs/dbraw/zinc/23/73/94/585237394.db2.gz OTTXFMUKRDFDMZ-UHFFFAOYSA-N 1 2 235.218 1.274 20 0 BDADLO CS[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC000752268312 585244117 /nfs/dbraw/zinc/24/41/17/585244117.db2.gz KXAKKFFPRUTSIG-VIFPVBQESA-N 1 2 249.339 1.816 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1csc(C=O)c1 ZINC000752952094 585251881 /nfs/dbraw/zinc/25/18/81/585251881.db2.gz LMAOBBYIERRYCE-UHFFFAOYSA-N 1 2 249.295 1.224 20 0 BDADLO C/C(=C\C(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000753680976 585266397 /nfs/dbraw/zinc/26/63/97/585266397.db2.gz ZMTCXTJJFVUJJP-JXMROGBWSA-N 1 2 233.315 1.435 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000753716521 585267048 /nfs/dbraw/zinc/26/70/48/585267048.db2.gz YCBDXZRAMFUTBR-RQJHMYQMSA-N 1 2 236.237 1.290 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000753716521 585267049 /nfs/dbraw/zinc/26/70/49/585267049.db2.gz YCBDXZRAMFUTBR-RQJHMYQMSA-N 1 2 236.237 1.290 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000753716513 585267285 /nfs/dbraw/zinc/26/72/85/585267285.db2.gz YCBDXZRAMFUTBR-NKWVEPMBSA-N 1 2 236.237 1.290 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000753716513 585267286 /nfs/dbraw/zinc/26/72/86/585267286.db2.gz YCBDXZRAMFUTBR-NKWVEPMBSA-N 1 2 236.237 1.290 20 0 BDADLO CCc1cnc(CO[NH+]=C(N)[C@H](C)OC)o1 ZINC000754296538 585282127 /nfs/dbraw/zinc/28/21/27/585282127.db2.gz SXSWFYJKLKHVOO-ZETCQYMHSA-N 1 2 227.264 1.270 20 0 BDADLO O=C(C=C(C1CC1)C1CC1)NCc1c[nH+]c[nH]1 ZINC000754295522 585282175 /nfs/dbraw/zinc/28/21/75/585282175.db2.gz XXWVWXUVEAUHQU-UHFFFAOYSA-N 1 2 231.299 1.772 20 0 BDADLO O=C(C=C(C1CC1)C1CC1)NCc1c[nH]c[nH+]1 ZINC000754295522 585282176 /nfs/dbraw/zinc/28/21/76/585282176.db2.gz XXWVWXUVEAUHQU-UHFFFAOYSA-N 1 2 231.299 1.772 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000754295036 585282308 /nfs/dbraw/zinc/28/23/08/585282308.db2.gz PZYNFVZVKAAQNW-JRZFIGEHSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@@H]1CCC(=CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000754295036 585282309 /nfs/dbraw/zinc/28/23/09/585282309.db2.gz PZYNFVZVKAAQNW-JRZFIGEHSA-N 1 2 219.288 1.772 20 0 BDADLO COc1cccc(C(=O)OCc2c[nH+]cn2C)n1 ZINC000754682640 585289096 /nfs/dbraw/zinc/28/90/96/585289096.db2.gz ALLYKJUTUWQEHE-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO CSCCCCC(=O)OCc1c[nH+]cn1C ZINC000754687583 585289364 /nfs/dbraw/zinc/28/93/64/585289364.db2.gz RSGAZJPTVTYXIF-UHFFFAOYSA-N 1 2 242.344 1.997 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H](CO)C2CC2)c(C)[nH+]1 ZINC000755856214 585308707 /nfs/dbraw/zinc/30/87/07/585308707.db2.gz NCVSSWNGDHTAKH-LBPRGKRZSA-N 1 2 249.314 1.591 20 0 BDADLO C/C=C(/C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756138217 585315147 /nfs/dbraw/zinc/31/51/47/585315147.db2.gz RWOJAKJAAQWQFP-NEOSZVFXSA-N 1 2 233.315 1.702 20 0 BDADLO CC[C@@H](C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000756414921 585319545 /nfs/dbraw/zinc/31/95/45/585319545.db2.gz CMHHLWHOAOSNJO-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@@H](C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000756414921 585319546 /nfs/dbraw/zinc/31/95/46/585319546.db2.gz CMHHLWHOAOSNJO-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO FC(F)C(F)(F)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000756903573 585325060 /nfs/dbraw/zinc/32/50/60/585325060.db2.gz WRKXDJGHSZWWJD-VIFPVBQESA-N 1 2 241.228 1.999 20 0 BDADLO FC(F)C(F)(F)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000756903573 585325061 /nfs/dbraw/zinc/32/50/61/585325061.db2.gz WRKXDJGHSZWWJD-VIFPVBQESA-N 1 2 241.228 1.999 20 0 BDADLO CCOCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000758040286 585348737 /nfs/dbraw/zinc/34/87/37/585348737.db2.gz YLSHBDSQVHQKSI-UHFFFAOYSA-N 1 2 248.282 1.722 20 0 BDADLO CC1CCC([N@H+](C)Cn2ncn(C)c2=O)CC1 ZINC000758297405 585353396 /nfs/dbraw/zinc/35/33/96/585353396.db2.gz ASSNWGNONGOKNZ-UHFFFAOYSA-N 1 2 238.335 1.050 20 0 BDADLO CC1CCC([N@@H+](C)Cn2ncn(C)c2=O)CC1 ZINC000758297405 585353397 /nfs/dbraw/zinc/35/33/97/585353397.db2.gz ASSNWGNONGOKNZ-UHFFFAOYSA-N 1 2 238.335 1.050 20 0 BDADLO COC1(C)C[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000759049179 585363907 /nfs/dbraw/zinc/36/39/07/585363907.db2.gz OWSCTFAKQQXHMN-GFCCVEGCSA-N 1 2 239.290 1.580 20 0 BDADLO CCC(=CC(=O)NCc1c[nH+]c[nH]1)CC ZINC000759224950 585366057 /nfs/dbraw/zinc/36/60/57/585366057.db2.gz UFKWHBJLFKWSSF-UHFFFAOYSA-N 1 2 207.277 1.772 20 0 BDADLO CCC(=CC(=O)NCc1c[nH]c[nH+]1)CC ZINC000759224950 585366058 /nfs/dbraw/zinc/36/60/58/585366058.db2.gz UFKWHBJLFKWSSF-UHFFFAOYSA-N 1 2 207.277 1.772 20 0 BDADLO COC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759480939 585373753 /nfs/dbraw/zinc/37/37/53/585373753.db2.gz FCZUCBCGHMUASR-NXEZZACHSA-N 1 2 223.276 1.532 20 0 BDADLO CCC(=O)CCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000759528966 585374590 /nfs/dbraw/zinc/37/45/90/585374590.db2.gz DSAATMDBHFHKIT-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCC(=O)CCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000759528966 585374591 /nfs/dbraw/zinc/37/45/91/585374591.db2.gz DSAATMDBHFHKIT-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO Cc1ccc(NC(=O)c2cnco2)c(N(C)C)[nH+]1 ZINC000759663772 585378200 /nfs/dbraw/zinc/37/82/00/585378200.db2.gz OCAIKQJEVTZHRN-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO CC1(O)CC[NH+](Cn2cccnc2=S)CC1 ZINC000759751305 585379769 /nfs/dbraw/zinc/37/97/69/585379769.db2.gz JZIQNFXTVGNTBV-UHFFFAOYSA-N 1 2 239.344 1.417 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC12CCC2 ZINC000759850191 585381380 /nfs/dbraw/zinc/38/13/80/585381380.db2.gz ZTWSCJXMZQEDQP-JTQLQIEISA-N 1 2 220.272 1.654 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC12CCC2 ZINC000759850193 585381416 /nfs/dbraw/zinc/38/14/16/585381416.db2.gz ZTWSCJXMZQEDQP-SNVBAGLBSA-N 1 2 220.272 1.654 20 0 BDADLO C[C@H]1CC[N@H+](CCC(=O)C2CC2)CC[S@@]1=O ZINC000759875570 585381844 /nfs/dbraw/zinc/38/18/44/585381844.db2.gz OPILABNRWXWRFC-QFYYESIMSA-N 1 2 243.372 1.199 20 0 BDADLO C[C@H]1CC[N@@H+](CCC(=O)C2CC2)CC[S@@]1=O ZINC000759875570 585381845 /nfs/dbraw/zinc/38/18/45/585381845.db2.gz OPILABNRWXWRFC-QFYYESIMSA-N 1 2 243.372 1.199 20 0 BDADLO C[C@@H](CCO)CNC(=O)c1cccc2[nH+]ccn21 ZINC000760177078 585386194 /nfs/dbraw/zinc/38/61/94/585386194.db2.gz BDGWFPSNOMAZCF-JTQLQIEISA-N 1 2 247.298 1.083 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc[nH]1 ZINC000760729117 585396353 /nfs/dbraw/zinc/39/63/53/585396353.db2.gz REPVZPIKZBJKOC-JTQLQIEISA-N 1 2 232.287 1.479 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761053171 585403866 /nfs/dbraw/zinc/40/38/66/585403866.db2.gz YLMCDBCQYWEHGG-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761053171 585403867 /nfs/dbraw/zinc/40/38/67/585403867.db2.gz YLMCDBCQYWEHGG-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055675 585404506 /nfs/dbraw/zinc/40/45/06/585404506.db2.gz VTVNHAWPSJANLN-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055675 585404507 /nfs/dbraw/zinc/40/45/07/585404507.db2.gz VTVNHAWPSJANLN-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761077051 585406274 /nfs/dbraw/zinc/40/62/74/585406274.db2.gz MMNUFPCDQNGUMJ-VIFPVBQESA-N 1 2 223.320 1.427 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761077051 585406275 /nfs/dbraw/zinc/40/62/75/585406275.db2.gz MMNUFPCDQNGUMJ-VIFPVBQESA-N 1 2 223.320 1.427 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761082158 585407235 /nfs/dbraw/zinc/40/72/35/585407235.db2.gz GYACXECWZZCXMT-WCBMZHEXSA-N 1 2 237.328 1.696 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761082158 585407236 /nfs/dbraw/zinc/40/72/36/585407236.db2.gz GYACXECWZZCXMT-WCBMZHEXSA-N 1 2 237.328 1.696 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761085123 585407555 /nfs/dbraw/zinc/40/75/55/585407555.db2.gz ANNXGZLDNMPNMH-VHSXEESVSA-N 1 2 221.308 1.067 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761085123 585407556 /nfs/dbraw/zinc/40/75/56/585407556.db2.gz ANNXGZLDNMPNMH-VHSXEESVSA-N 1 2 221.308 1.067 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H]3C[C@H]32)o1 ZINC000761098065 585408791 /nfs/dbraw/zinc/40/87/91/585408791.db2.gz TYLLQIDNVJYBFM-DTWKUNHWSA-N 1 2 221.304 1.961 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H]3C[C@H]32)o1 ZINC000761098065 585408792 /nfs/dbraw/zinc/40/87/92/585408792.db2.gz TYLLQIDNVJYBFM-DTWKUNHWSA-N 1 2 221.304 1.961 20 0 BDADLO CCc1noc(C[NH2+]C(C)(C)CC(=O)OC)n1 ZINC000761196609 585412114 /nfs/dbraw/zinc/41/21/14/585412114.db2.gz FCJIATKABWAFEA-UHFFFAOYSA-N 1 2 241.291 1.063 20 0 BDADLO C[N@H+](Cc1coc(C2CC2)n1)C1CC(O)C1 ZINC000761221247 585412592 /nfs/dbraw/zinc/41/25/92/585412592.db2.gz CFTWRQPNELCWKK-UHFFFAOYSA-N 1 2 222.288 1.507 20 0 BDADLO C[N@@H+](Cc1coc(C2CC2)n1)C1CC(O)C1 ZINC000761221247 585412593 /nfs/dbraw/zinc/41/25/93/585412593.db2.gz CFTWRQPNELCWKK-UHFFFAOYSA-N 1 2 222.288 1.507 20 0 BDADLO Cn1cc(CO[NH+]=C(N)c2cccc(F)c2)nn1 ZINC000761308617 585413546 /nfs/dbraw/zinc/41/35/46/585413546.db2.gz CLIWLDCNLNWAQA-UHFFFAOYSA-N 1 2 249.249 1.001 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)Cc2ccccc21 ZINC000761640801 585417733 /nfs/dbraw/zinc/41/77/33/585417733.db2.gz NVLRCVDVRRRDHR-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)Cc2ccccc21 ZINC000761640801 585417734 /nfs/dbraw/zinc/41/77/34/585417734.db2.gz NVLRCVDVRRRDHR-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000761868201 585421275 /nfs/dbraw/zinc/42/12/75/585421275.db2.gz VCZUIKBQUYSCJL-SNVBAGLBSA-N 1 2 237.303 1.101 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000761868198 585421481 /nfs/dbraw/zinc/42/14/81/585421481.db2.gz VCZUIKBQUYSCJL-JTQLQIEISA-N 1 2 237.303 1.101 20 0 BDADLO CCc1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000762033372 585424798 /nfs/dbraw/zinc/42/47/98/585424798.db2.gz CKWZLTOHLYEEKB-UHFFFAOYSA-N 1 2 241.254 1.880 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCc1ccccc1F ZINC000762211330 585428994 /nfs/dbraw/zinc/42/89/94/585428994.db2.gz XAOGUFDYPMBKCU-SECBINFHSA-N 1 2 240.278 1.902 20 0 BDADLO O=C(Cc1cccs1)OCCn1cc[nH+]c1 ZINC000763114245 585443190 /nfs/dbraw/zinc/44/31/90/585443190.db2.gz GMHWVKNIWDZPPV-UHFFFAOYSA-N 1 2 236.296 1.731 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000763113973 585443387 /nfs/dbraw/zinc/44/33/87/585443387.db2.gz QSQIESYDJAMJEI-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO CCOC(=O)[C@H](C)NCc1c[nH+]c2ccccn12 ZINC000763282703 585445840 /nfs/dbraw/zinc/44/58/40/585445840.db2.gz DAWBDIFHYDZOHZ-JTQLQIEISA-N 1 2 247.298 1.376 20 0 BDADLO CC[C@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000763287972 585445985 /nfs/dbraw/zinc/44/59/85/585445985.db2.gz QVIRUZRRKCRUTQ-JTQLQIEISA-N 1 2 210.277 1.863 20 0 BDADLO CCOC(=O)[C@@H](C)NCc1c[nH+]c2ccccn12 ZINC000763282704 585446011 /nfs/dbraw/zinc/44/60/11/585446011.db2.gz DAWBDIFHYDZOHZ-SNVBAGLBSA-N 1 2 247.298 1.376 20 0 BDADLO COC(=O)c1csc(C[N@H+](C)CCCF)n1 ZINC000887142364 585447390 /nfs/dbraw/zinc/44/73/90/585447390.db2.gz HHPKZLXJLWEESX-UHFFFAOYSA-N 1 2 246.307 1.721 20 0 BDADLO COC(=O)c1csc(C[N@@H+](C)CCCF)n1 ZINC000887142364 585447391 /nfs/dbraw/zinc/44/73/91/585447391.db2.gz HHPKZLXJLWEESX-UHFFFAOYSA-N 1 2 246.307 1.721 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccoc2)CC[S@](=O)C1 ZINC000763652533 585451564 /nfs/dbraw/zinc/45/15/64/585451564.db2.gz OMCXIDYNYRNFAJ-BMIGLBTASA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccoc2)CC[S@](=O)C1 ZINC000763652533 585451565 /nfs/dbraw/zinc/45/15/65/585451565.db2.gz OMCXIDYNYRNFAJ-BMIGLBTASA-N 1 2 227.329 1.480 20 0 BDADLO C[N@H+](C/C(Cl)=C/Cl)[C@@]1(CO)CCOC1 ZINC000763891646 585456118 /nfs/dbraw/zinc/45/61/18/585456118.db2.gz QZAQVOMJOMDFMK-USYJTPIQSA-N 1 2 240.130 1.389 20 0 BDADLO C[N@@H+](C/C(Cl)=C/Cl)[C@@]1(CO)CCOC1 ZINC000763891646 585456119 /nfs/dbraw/zinc/45/61/19/585456119.db2.gz QZAQVOMJOMDFMK-USYJTPIQSA-N 1 2 240.130 1.389 20 0 BDADLO C[C@@H]1OCC[N@H+](CN2C(=O)CC23CCC3)[C@H]1C ZINC000765099155 585481067 /nfs/dbraw/zinc/48/10/67/585481067.db2.gz MRHSOHURGKMNIQ-QWRGUYRKSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]1OCC[N@@H+](CN2C(=O)CC23CCC3)[C@H]1C ZINC000765099155 585481068 /nfs/dbraw/zinc/48/10/68/585481068.db2.gz MRHSOHURGKMNIQ-QWRGUYRKSA-N 1 2 238.331 1.208 20 0 BDADLO CC[N@@H+]1C[C@@H](C)N(C(=O)C(F)(F)F)C[C@H]1C ZINC000765932520 585493964 /nfs/dbraw/zinc/49/39/64/585493964.db2.gz ZSEDCPJKBBLATI-HTQZYQBOSA-N 1 2 238.253 1.490 20 0 BDADLO CC[N@H+]1C[C@@H](C)N(C(=O)C(F)(F)F)C[C@H]1C ZINC000765932520 585493965 /nfs/dbraw/zinc/49/39/65/585493965.db2.gz ZSEDCPJKBBLATI-HTQZYQBOSA-N 1 2 238.253 1.490 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCSC1 ZINC000765965112 585494694 /nfs/dbraw/zinc/49/46/94/585494694.db2.gz DCRAHZMNSUSNDV-QWRGUYRKSA-N 1 2 243.372 1.910 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCSC1 ZINC000765965112 585494695 /nfs/dbraw/zinc/49/46/95/585494695.db2.gz DCRAHZMNSUSNDV-QWRGUYRKSA-N 1 2 243.372 1.910 20 0 BDADLO C[C@@H]1COCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000767081737 585513598 /nfs/dbraw/zinc/51/35/98/585513598.db2.gz PAQFAZAQXFVODN-SNVBAGLBSA-N 1 2 245.282 1.195 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc3n2CCC3)c(C)o1 ZINC000767362662 585517787 /nfs/dbraw/zinc/51/77/87/585517787.db2.gz NNVWFYNJMMZJQG-UHFFFAOYSA-N 1 2 246.314 1.724 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000767965138 585529000 /nfs/dbraw/zinc/52/90/00/585529000.db2.gz IGTWFVACGFFVMD-LBPRGKRZSA-N 1 2 224.304 1.213 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000767965138 585529001 /nfs/dbraw/zinc/52/90/01/585529001.db2.gz IGTWFVACGFFVMD-LBPRGKRZSA-N 1 2 224.304 1.213 20 0 BDADLO COCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000768241150 585534307 /nfs/dbraw/zinc/53/43/07/585534307.db2.gz KNVIRSBQAVCJTJ-UHFFFAOYSA-N 1 2 210.277 1.630 20 0 BDADLO COCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000768241150 585534308 /nfs/dbraw/zinc/53/43/08/585534308.db2.gz KNVIRSBQAVCJTJ-UHFFFAOYSA-N 1 2 210.277 1.630 20 0 BDADLO CC[C@H](C)N(OC)C(=O)Cn1cc[nH+]c1 ZINC000768895140 585545765 /nfs/dbraw/zinc/54/57/65/585545765.db2.gz GWGMBGHXXRZFDC-VIFPVBQESA-N 1 2 211.265 1.072 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OC[C@H]1CCOC1 ZINC000768931237 585546245 /nfs/dbraw/zinc/54/62/45/585546245.db2.gz JCHNBYMNPKZCLI-VIFPVBQESA-N 1 2 230.308 1.336 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCOCC1CC1 ZINC000768934875 585546463 /nfs/dbraw/zinc/54/64/63/585546463.db2.gz PRYZSZFVYFQXBU-UHFFFAOYSA-N 1 2 244.335 1.727 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccoc2)[C@H](C)C1 ZINC000769448495 585556988 /nfs/dbraw/zinc/55/69/88/585556988.db2.gz SPOBHFNDWCXQRM-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccoc2)[C@H](C)C1 ZINC000769448495 585556989 /nfs/dbraw/zinc/55/69/89/585556989.db2.gz SPOBHFNDWCXQRM-SNVBAGLBSA-N 1 2 222.288 1.332 20 0 BDADLO COCc1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000769523460 585558709 /nfs/dbraw/zinc/55/87/09/585558709.db2.gz ZAMXIZGBBXYBGI-UHFFFAOYSA-N 1 2 245.282 1.668 20 0 BDADLO CN(C)c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000769862355 585565672 /nfs/dbraw/zinc/56/56/72/585565672.db2.gz XVTIKMMWOMXSEJ-UHFFFAOYSA-N 1 2 229.243 1.450 20 0 BDADLO CCc1cc(NC[C@@H](O)c2ccccn2)nc[nH+]1 ZINC000770128994 585571218 /nfs/dbraw/zinc/57/12/18/585571218.db2.gz PONIPEAVMPPGBU-GFCCVEGCSA-N 1 2 244.298 1.580 20 0 BDADLO CO[C@@H](C)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000770921432 585584242 /nfs/dbraw/zinc/58/42/42/585584242.db2.gz DKFWFNVPSOXDBS-JTQLQIEISA-N 1 2 248.282 1.803 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000771403632 585593716 /nfs/dbraw/zinc/59/37/16/585593716.db2.gz LZCBSXPSPBVWAL-UWVGGRQHSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)C(C)(C)C ZINC000771403632 585593717 /nfs/dbraw/zinc/59/37/17/585593717.db2.gz LZCBSXPSPBVWAL-UWVGGRQHSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)C(=O)C(C)(C)C)CC[N@H+]1C ZINC000771403636 585593869 /nfs/dbraw/zinc/59/38/69/585593869.db2.gz LZCBSXPSPBVWAL-ZJUUUORDSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)C(=O)C(C)(C)C)CC[N@@H+]1C ZINC000771403636 585593870 /nfs/dbraw/zinc/59/38/70/585593870.db2.gz LZCBSXPSPBVWAL-ZJUUUORDSA-N 1 2 240.347 1.153 20 0 BDADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCF)CC2 ZINC000771453296 585594303 /nfs/dbraw/zinc/59/43/03/585594303.db2.gz SYSJUPKKVONIRC-UHFFFAOYSA-N 1 2 237.274 1.801 20 0 BDADLO COC(=O)c1ccc2c(c1)C[N@H+](CCF)CC2 ZINC000771453296 585594304 /nfs/dbraw/zinc/59/43/04/585594304.db2.gz SYSJUPKKVONIRC-UHFFFAOYSA-N 1 2 237.274 1.801 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCO1 ZINC000771456414 585594769 /nfs/dbraw/zinc/59/47/69/585594769.db2.gz LUYNSPROMXTLRQ-UHFFFAOYSA-N 1 2 217.228 1.112 20 0 BDADLO CC(C)(C)c1nc(C[NH2+][C@H](CO)C2CC2)no1 ZINC000771810431 585600704 /nfs/dbraw/zinc/60/07/04/585600704.db2.gz ZKBSYIGTXMWCCR-SECBINFHSA-N 1 2 239.319 1.228 20 0 BDADLO O=c1[nH]c(C=Cc2[nH]cc[nH+]2)nc2cnccc12 ZINC000771861858 585603028 /nfs/dbraw/zinc/60/30/28/585603028.db2.gz KIVXXAQSOHCUFN-UPHRSURJSA-N 1 2 239.238 1.212 20 0 BDADLO CC(C)(C)CC(=O)OCCn1cc[nH+]c1 ZINC000771868838 585603081 /nfs/dbraw/zinc/60/30/81/585603081.db2.gz QTXOCDWQFLTMFQ-UHFFFAOYSA-N 1 2 210.277 1.863 20 0 BDADLO O=C(CSC(F)F)OCCn1cc[nH+]c1 ZINC000771889664 585603968 /nfs/dbraw/zinc/60/39/68/585603968.db2.gz UVFAAKDNFJSYSV-UHFFFAOYSA-N 1 2 236.243 1.382 20 0 BDADLO O=C(CCCn1cccn1)OCCn1cc[nH+]c1 ZINC000771942218 585605176 /nfs/dbraw/zinc/60/51/76/585605176.db2.gz XLFKMPJAPQQANF-UHFFFAOYSA-N 1 2 248.286 1.103 20 0 BDADLO O=C(CCc1ccccn1)OCCn1cc[nH+]c1 ZINC000771941399 585605354 /nfs/dbraw/zinc/60/53/54/585605354.db2.gz ULPRZFINPHJEPH-UHFFFAOYSA-N 1 2 245.282 1.454 20 0 BDADLO O=C(CC1CCC1)OCCn1cc[nH+]c1 ZINC000771975248 585605748 /nfs/dbraw/zinc/60/57/48/585605748.db2.gz IAICCANDAFKNIQ-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000772000534 585606554 /nfs/dbraw/zinc/60/65/54/585606554.db2.gz BDUNHKUMBVBWHR-SECBINFHSA-N 1 2 226.301 1.179 20 0 BDADLO Cn1ccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000772002502 585606738 /nfs/dbraw/zinc/60/67/38/585606738.db2.gz IVZCSXQFRXWUKJ-UHFFFAOYSA-N 1 2 219.244 1.079 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCSC)C1 ZINC000805471584 585624012 /nfs/dbraw/zinc/62/40/12/585624012.db2.gz OJEKZPSPISRCNR-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCSC)C1 ZINC000805471584 585624013 /nfs/dbraw/zinc/62/40/13/585624013.db2.gz OJEKZPSPISRCNR-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CC[C@H](C)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805473565 585627495 /nfs/dbraw/zinc/62/74/95/585627495.db2.gz HNEOSQRJOSVXOE-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@H](C)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805473565 585627496 /nfs/dbraw/zinc/62/74/96/585627496.db2.gz HNEOSQRJOSVXOE-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO CCCSCC(=O)NOC1CC[NH+](C)CC1 ZINC000773546330 585640296 /nfs/dbraw/zinc/64/02/96/585640296.db2.gz LWTWNQICBURRCX-UHFFFAOYSA-N 1 2 246.376 1.272 20 0 BDADLO CC(=O)c1ccc(C(=O)OCc2c[nH+]cn2C)o1 ZINC000774120705 585650930 /nfs/dbraw/zinc/65/09/30/585650930.db2.gz BYUZKCXQGCIWAD-UHFFFAOYSA-N 1 2 248.238 1.573 20 0 BDADLO C[C@@H]1COCC[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000774122539 585651010 /nfs/dbraw/zinc/65/10/10/585651010.db2.gz KLJRCYMOJHRLNU-MWLCHTKSSA-N 1 2 238.287 1.136 20 0 BDADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCF ZINC000775564285 585679625 /nfs/dbraw/zinc/67/96/25/585679625.db2.gz WUUQSMSPOBAUEB-UHFFFAOYSA-N 1 2 242.260 1.914 20 0 BDADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCF ZINC000775564285 585679626 /nfs/dbraw/zinc/67/96/26/585679626.db2.gz WUUQSMSPOBAUEB-UHFFFAOYSA-N 1 2 242.260 1.914 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOCC[C@@H]2C)o1 ZINC000775566798 585679716 /nfs/dbraw/zinc/67/97/16/585679716.db2.gz CFOGSSDULQRVGL-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOCC[C@@H]2C)o1 ZINC000775566798 585679717 /nfs/dbraw/zinc/67/97/17/585679717.db2.gz CFOGSSDULQRVGL-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOCC[C@H]2C)o1 ZINC000775566800 585679893 /nfs/dbraw/zinc/67/98/93/585679893.db2.gz CFOGSSDULQRVGL-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOCC[C@H]2C)o1 ZINC000775566800 585679894 /nfs/dbraw/zinc/67/98/94/585679894.db2.gz CFOGSSDULQRVGL-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC1CCC1 ZINC000775613627 585681432 /nfs/dbraw/zinc/68/14/32/585681432.db2.gz MXEYVZRFSPCQBQ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC1CCC1 ZINC000775613627 585681433 /nfs/dbraw/zinc/68/14/33/585681433.db2.gz MXEYVZRFSPCQBQ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H](CO)[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000776422131 585698269 /nfs/dbraw/zinc/69/82/69/585698269.db2.gz FEYYDJUEIMWJSO-NSHDSACASA-N 1 2 247.298 1.597 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000776601528 585702269 /nfs/dbraw/zinc/70/22/69/585702269.db2.gz KELVELFZRHMYLX-SECBINFHSA-N 1 2 235.274 1.773 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000776601528 585702270 /nfs/dbraw/zinc/70/22/70/585702270.db2.gz KELVELFZRHMYLX-SECBINFHSA-N 1 2 235.274 1.773 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1Cn1cnnc1 ZINC000776762603 585703786 /nfs/dbraw/zinc/70/37/86/585703786.db2.gz DIAGJQLJWPXAPS-SNVBAGLBSA-N 1 2 214.272 1.812 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1Cn1cnnc1 ZINC000776762603 585703787 /nfs/dbraw/zinc/70/37/87/585703787.db2.gz DIAGJQLJWPXAPS-SNVBAGLBSA-N 1 2 214.272 1.812 20 0 BDADLO Cl/C=C(/Cl)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776872524 585706595 /nfs/dbraw/zinc/70/65/95/585706595.db2.gz AWBSEXADSGNSHT-QZGLAHODSA-N 1 2 247.129 1.844 20 0 BDADLO Cl/C=C(/Cl)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776872524 585706596 /nfs/dbraw/zinc/70/65/96/585706596.db2.gz AWBSEXADSGNSHT-QZGLAHODSA-N 1 2 247.129 1.844 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CC(C)(C)OC2=O)C[C@H]1F ZINC000777964221 585724422 /nfs/dbraw/zinc/72/44/22/585724422.db2.gz NAIKNRRQIRBGAO-NXEZZACHSA-N 1 2 244.310 1.855 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CC(C)(C)OC2=O)C[C@H]1F ZINC000777964221 585724423 /nfs/dbraw/zinc/72/44/23/585724423.db2.gz NAIKNRRQIRBGAO-NXEZZACHSA-N 1 2 244.310 1.855 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CC(C)(C)OC2=O)C[C@@H]1F ZINC000777964224 585724556 /nfs/dbraw/zinc/72/45/56/585724556.db2.gz NAIKNRRQIRBGAO-ZJUUUORDSA-N 1 2 244.310 1.855 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CC(C)(C)OC2=O)C[C@@H]1F ZINC000777964224 585724557 /nfs/dbraw/zinc/72/45/57/585724557.db2.gz NAIKNRRQIRBGAO-ZJUUUORDSA-N 1 2 244.310 1.855 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C(=O)CC23CCC3)C[C@H]1F ZINC000777965116 585724782 /nfs/dbraw/zinc/72/47/82/585724782.db2.gz UVDAXRXPJPVFGA-GHMZBOCLSA-N 1 2 240.322 1.779 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C(=O)CC23CCC3)C[C@H]1F ZINC000777965116 585724783 /nfs/dbraw/zinc/72/47/83/585724783.db2.gz UVDAXRXPJPVFGA-GHMZBOCLSA-N 1 2 240.322 1.779 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCCC2=O)C[C@H]1F ZINC000777967117 585724833 /nfs/dbraw/zinc/72/48/33/585724833.db2.gz IEGYJCLINHRKRG-VHSXEESVSA-N 1 2 214.284 1.246 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCCC2=O)C[C@H]1F ZINC000777967117 585724834 /nfs/dbraw/zinc/72/48/34/585724834.db2.gz IEGYJCLINHRKRG-VHSXEESVSA-N 1 2 214.284 1.246 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000778248207 585729358 /nfs/dbraw/zinc/72/93/58/585729358.db2.gz RBWKXHLVAVWNAS-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000778248207 585729359 /nfs/dbraw/zinc/72/93/59/585729359.db2.gz RBWKXHLVAVWNAS-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO COC1CC(C[N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000859272079 589024921 /nfs/dbraw/zinc/02/49/21/589024921.db2.gz MSYRYBSAAUNPNS-HWOCKDDLSA-N 1 2 235.274 1.113 20 0 BDADLO COC1CC(C[N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000859272079 589024922 /nfs/dbraw/zinc/02/49/22/589024922.db2.gz MSYRYBSAAUNPNS-HWOCKDDLSA-N 1 2 235.274 1.113 20 0 BDADLO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CC=CCC1 ZINC000778576200 585737403 /nfs/dbraw/zinc/73/74/03/585737403.db2.gz CMOOYTXSRJXRQJ-UHFFFAOYSA-N 1 2 248.326 1.525 20 0 BDADLO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CC=CCC1 ZINC000778576200 585737404 /nfs/dbraw/zinc/73/74/04/585737404.db2.gz CMOOYTXSRJXRQJ-UHFFFAOYSA-N 1 2 248.326 1.525 20 0 BDADLO CC/C(C)=C(/C)C(=O)NC1=[NH+]CCS1 ZINC000779786472 585763304 /nfs/dbraw/zinc/76/33/04/585763304.db2.gz ZGRRCVKINRLKGY-FPLPWBNLSA-N 1 2 212.318 1.952 20 0 BDADLO COc1ccc(C)cc1CO[NH+]=C(N)CCO ZINC000780124139 585772768 /nfs/dbraw/zinc/77/27/68/585772768.db2.gz BEEHBJBBQHZKRE-UHFFFAOYSA-N 1 2 238.287 1.384 20 0 BDADLO NC(CCO)=[NH+]OCc1ccc2ncccc2c1 ZINC000780127758 585772813 /nfs/dbraw/zinc/77/28/13/585772813.db2.gz NABFNXGVWGQPNR-UHFFFAOYSA-N 1 2 245.282 1.616 20 0 BDADLO O=C(C=Cc1cccc(O)c1)NCc1c[nH+]c[nH]1 ZINC000780774510 585784538 /nfs/dbraw/zinc/78/45/38/585784538.db2.gz LUMCCWNVAMLCMG-SNAWJCMRSA-N 1 2 243.266 1.445 20 0 BDADLO O=C(C=Cc1cccc(O)c1)NCc1c[nH]c[nH+]1 ZINC000780774510 585784539 /nfs/dbraw/zinc/78/45/39/585784539.db2.gz LUMCCWNVAMLCMG-SNAWJCMRSA-N 1 2 243.266 1.445 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)co1 ZINC000781378615 585795336 /nfs/dbraw/zinc/79/53/36/585795336.db2.gz ZVQXTERDXLIBPJ-UHFFFAOYSA-N 1 2 220.228 1.642 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)c1ccccc1C ZINC000782306117 585814690 /nfs/dbraw/zinc/81/46/90/585814690.db2.gz UVIKGFCDZOKJQK-SNVBAGLBSA-N 1 2 222.288 1.876 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OC[C@@H](C)OC ZINC000782313552 585814885 /nfs/dbraw/zinc/81/48/85/585814885.db2.gz OEKNTAJMPNCYDI-SECBINFHSA-N 1 2 238.287 1.623 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000782338727 585815695 /nfs/dbraw/zinc/81/56/95/585815695.db2.gz YJFYQGCDRKUSHX-ZJUUUORDSA-N 1 2 232.324 1.581 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000782563680 585820292 /nfs/dbraw/zinc/82/02/92/585820292.db2.gz ZCLITQFHROEYBF-STQMWFEESA-N 1 2 248.326 1.590 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000782590485 585821003 /nfs/dbraw/zinc/82/10/03/585821003.db2.gz DQTKLGQYCDVRED-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000782590485 585821004 /nfs/dbraw/zinc/82/10/04/585821004.db2.gz DQTKLGQYCDVRED-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nccn1C(F)F)C2 ZINC000782622713 585822944 /nfs/dbraw/zinc/82/29/44/585822944.db2.gz YITRUDVNKZAGJO-KCJUWKMLSA-N 1 2 243.257 1.092 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nccn1C(F)F)C2 ZINC000782622713 585822945 /nfs/dbraw/zinc/82/29/45/585822945.db2.gz YITRUDVNKZAGJO-KCJUWKMLSA-N 1 2 243.257 1.092 20 0 BDADLO C[C@@H]1C[N@H+](Cn2cc[nH]c2=S)[C@H](C)[C@@H](C)O1 ZINC000783542421 585836350 /nfs/dbraw/zinc/83/63/50/585836350.db2.gz KDUVDXOGZSLKBX-OPRDCNLKSA-N 1 2 241.360 1.627 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2cc[nH]c2=S)[C@H](C)[C@@H](C)O1 ZINC000783542421 585836351 /nfs/dbraw/zinc/83/63/51/585836351.db2.gz KDUVDXOGZSLKBX-OPRDCNLKSA-N 1 2 241.360 1.627 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCSC2=O)[C@@H](C)[C@@H](C)O1 ZINC000783542275 585836436 /nfs/dbraw/zinc/83/64/36/585836436.db2.gz JFYBQRGNWFXFLL-KXUCPTDWSA-N 1 2 244.360 1.610 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCSC2=O)[C@@H](C)[C@@H](C)O1 ZINC000783542275 585836437 /nfs/dbraw/zinc/83/64/37/585836437.db2.gz JFYBQRGNWFXFLL-KXUCPTDWSA-N 1 2 244.360 1.610 20 0 BDADLO COC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000783565855 585836918 /nfs/dbraw/zinc/83/69/18/585836918.db2.gz QREQUYOSIFRPKG-UHFFFAOYSA-N 1 2 226.276 1.241 20 0 BDADLO CCCCOCC(=O)OCCCn1cc[nH+]c1 ZINC000783724109 585840749 /nfs/dbraw/zinc/84/07/49/585840749.db2.gz QRTYZGJDAUIEHV-UHFFFAOYSA-N 1 2 240.303 1.633 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000784055463 585848162 /nfs/dbraw/zinc/84/81/62/585848162.db2.gz RJCSKDUTXONKAT-NWDGAFQWSA-N 1 2 234.299 1.863 20 0 BDADLO CC(C)C(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000784328714 585856016 /nfs/dbraw/zinc/85/60/16/585856016.db2.gz GZPZHZUTONWXHI-UHFFFAOYSA-N 1 2 243.347 1.544 20 0 BDADLO CC[C@@H](C)OCC(=O)OCCCn1cc[nH+]c1 ZINC000784337353 585856082 /nfs/dbraw/zinc/85/60/82/585856082.db2.gz IGBUJCCFSBKVIU-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1CCF ZINC000784356783 585857072 /nfs/dbraw/zinc/85/70/72/585857072.db2.gz TYNIPCCJSWJYRO-VHSXEESVSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CCF ZINC000784356783 585857073 /nfs/dbraw/zinc/85/70/73/585857073.db2.gz TYNIPCCJSWJYRO-VHSXEESVSA-N 1 2 215.268 1.026 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000784495902 585861241 /nfs/dbraw/zinc/86/12/41/585861241.db2.gz WCAQDUQPWFXXNQ-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)/C=C\C(=O)OCC[NH+]1CCOCC1 ZINC000785071625 585870458 /nfs/dbraw/zinc/87/04/58/585870458.db2.gz ZFLZRBWUIGWHOA-ARJAWSKDSA-N 1 2 227.304 1.074 20 0 BDADLO CC[C@H](NC(=O)[C@@H](O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785420759 585873461 /nfs/dbraw/zinc/87/34/61/585873461.db2.gz CAMRURMQBUDHOJ-DTWKUNHWSA-N 1 2 239.319 1.384 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(F)cn1 ZINC000786747353 585896838 /nfs/dbraw/zinc/89/68/38/585896838.db2.gz VGCZPTNHGAMJOB-ZETCQYMHSA-N 1 2 227.239 1.254 20 0 BDADLO O=C(C(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000787276161 585904680 /nfs/dbraw/zinc/90/46/80/585904680.db2.gz SPXPTMLHEFQNOI-UHFFFAOYSA-N 1 2 229.230 1.312 20 0 BDADLO O=C(C(F)F)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000787484467 585910460 /nfs/dbraw/zinc/91/04/60/585910460.db2.gz CHYQNZOHYCCDSI-ZCFIWIBFSA-N 1 2 215.203 1.338 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000788779220 585930349 /nfs/dbraw/zinc/93/03/49/585930349.db2.gz QYDMQMAEBOSMDL-DWGGBAKOSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000788779220 585930350 /nfs/dbraw/zinc/93/03/50/585930350.db2.gz QYDMQMAEBOSMDL-DWGGBAKOSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000788838467 585931071 /nfs/dbraw/zinc/93/10/71/585931071.db2.gz BMSXMQLXEJHEOH-GFLSPSCZSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000788838467 585931072 /nfs/dbraw/zinc/93/10/72/585931072.db2.gz BMSXMQLXEJHEOH-GFLSPSCZSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)ccn1 ZINC000789022187 585933593 /nfs/dbraw/zinc/93/35/93/585933593.db2.gz LZGCBSAGIYETOI-UHFFFAOYSA-N 1 2 231.255 1.444 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cc[nH]c1C1CC1 ZINC000805889436 585942545 /nfs/dbraw/zinc/94/25/45/585942545.db2.gz DLRSZVBYVQJDEP-UHFFFAOYSA-N 1 2 245.282 1.983 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000789562414 585944115 /nfs/dbraw/zinc/94/41/15/585944115.db2.gz AJPLKBUCCFWDFN-OLZOCXBDSA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccoc1 ZINC000789562414 585944116 /nfs/dbraw/zinc/94/41/16/585944116.db2.gz AJPLKBUCCFWDFN-OLZOCXBDSA-N 1 2 249.310 1.850 20 0 BDADLO COC(C)(C)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789609250 585946240 /nfs/dbraw/zinc/94/62/40/585946240.db2.gz MKGBWAUWKYGJHK-SECBINFHSA-N 1 2 230.308 1.479 20 0 BDADLO C/C=C(/CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000789753743 585949070 /nfs/dbraw/zinc/94/90/70/585949070.db2.gz FUSRQVZCRCTBKL-WTKPLQERSA-N 1 2 207.277 1.724 20 0 BDADLO COC/C=C\C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000791384567 585979675 /nfs/dbraw/zinc/97/96/75/585979675.db2.gz JLPWFGNXWMWONB-IHWYPQMZSA-N 1 2 245.282 1.153 20 0 BDADLO Nc1cc(COC(=O)C2=COCCC2)cc[nH+]1 ZINC000791870587 585990073 /nfs/dbraw/zinc/99/00/73/585990073.db2.gz PBPQOPZDQOVFAD-UHFFFAOYSA-N 1 2 234.255 1.401 20 0 BDADLO Nc1cc(COC(=O)[C@H]2C[C@@H]2C2CC2)cc[nH+]1 ZINC000791996004 585993090 /nfs/dbraw/zinc/99/30/90/585993090.db2.gz VYFSLHJZNGUZDK-MNOVXSKESA-N 1 2 232.283 1.753 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2C[C@]23CCOC3)cc[nH+]1 ZINC000792130325 585996249 /nfs/dbraw/zinc/99/62/49/585996249.db2.gz RWEHCKRNGWQVHB-GWCFXTLKSA-N 1 2 248.282 1.134 20 0 BDADLO C[C@]1(C(=O)OCc2cc[nH+]c(N)c2)CCOC1 ZINC000792134885 585996506 /nfs/dbraw/zinc/99/65/06/585996506.db2.gz KJQIFNVKCABZMC-LBPRGKRZSA-N 1 2 236.271 1.134 20 0 BDADLO c1cnn(C2CC[NH+](Cc3ncccn3)CC2)c1 ZINC000792222501 585998113 /nfs/dbraw/zinc/99/81/13/585998113.db2.gz UUWZNCQVKWSSDB-UHFFFAOYSA-N 1 2 243.314 1.510 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@H]2CCOC2=O)c1 ZINC000792316739 585999752 /nfs/dbraw/zinc/99/97/52/585999752.db2.gz ZZRYCVBTNQRQFO-NSHDSACASA-N 1 2 222.288 1.255 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@H]2CCOC2=O)c1 ZINC000792316739 585999753 /nfs/dbraw/zinc/99/97/53/585999753.db2.gz ZZRYCVBTNQRQFO-NSHDSACASA-N 1 2 222.288 1.255 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cn1cc[nH]c1=S ZINC000792726726 586004425 /nfs/dbraw/zinc/00/44/25/586004425.db2.gz FJVLXBBQOFQLON-VIFPVBQESA-N 1 2 241.360 1.629 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cn1cc[nH]c1=S ZINC000792726726 586004426 /nfs/dbraw/zinc/00/44/26/586004426.db2.gz FJVLXBBQOFQLON-VIFPVBQESA-N 1 2 241.360 1.629 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccnn1C(C)C ZINC000792789570 586005411 /nfs/dbraw/zinc/00/54/11/586005411.db2.gz LAUONCLNMPRXQI-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccnn1C(C)C ZINC000792789570 586005412 /nfs/dbraw/zinc/00/54/12/586005412.db2.gz LAUONCLNMPRXQI-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)ccn1 ZINC000793163611 586012337 /nfs/dbraw/zinc/01/23/37/586012337.db2.gz RTPOCZYPIWWVGE-UHFFFAOYSA-N 1 2 231.255 1.481 20 0 BDADLO CC/C=C(/C)C(=O)OCCc1c[nH+]cn1C ZINC000793239394 586013988 /nfs/dbraw/zinc/01/39/88/586013988.db2.gz APRVVJNTWUEWMI-YHYXMXQVSA-N 1 2 222.288 1.862 20 0 BDADLO C/C=C(/CC)C(=O)OCCc1c[nH+]cn1C ZINC000793236652 586014733 /nfs/dbraw/zinc/01/47/33/586014733.db2.gz AZXSIONPDRHPSB-WMZJFQQLSA-N 1 2 222.288 1.862 20 0 BDADLO Cc1c(C(=O)OCCc2c[nH+]cn2C)ccn1C ZINC000793251650 586014962 /nfs/dbraw/zinc/01/49/62/586014962.db2.gz RVRXJMSBPOEHCW-UHFFFAOYSA-N 1 2 247.298 1.467 20 0 BDADLO C/C=C/C=C\C(=O)OCCc1c[nH+]cn1C ZINC000793254791 586015392 /nfs/dbraw/zinc/01/53/92/586015392.db2.gz GDIMPXDOHPRWHG-ICWBMWKASA-N 1 2 220.272 1.638 20 0 BDADLO O=C(C[C@H]1CCCOC1)N1CC(n2cc[nH+]c2)C1 ZINC000793508359 586021137 /nfs/dbraw/zinc/02/11/37/586021137.db2.gz CWODMUBBQBIYHM-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC=CO1 ZINC000793559940 586023118 /nfs/dbraw/zinc/02/31/18/586023118.db2.gz HWBUQDKCIIRDBU-JOYOIKCWSA-N 1 2 247.298 1.076 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC=CO1 ZINC000793559940 586023119 /nfs/dbraw/zinc/02/31/19/586023119.db2.gz HWBUQDKCIIRDBU-JOYOIKCWSA-N 1 2 247.298 1.076 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000793820829 586027466 /nfs/dbraw/zinc/02/74/66/586027466.db2.gz MXQFKKFEHHQATB-MRVPVSSYSA-N 1 2 242.344 1.902 20 0 BDADLO CC[C@@H]1CC[N@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000793820829 586027467 /nfs/dbraw/zinc/02/74/67/586027467.db2.gz MXQFKKFEHHQATB-MRVPVSSYSA-N 1 2 242.344 1.902 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cccnc1F ZINC000793995189 586029883 /nfs/dbraw/zinc/02/98/83/586029883.db2.gz DJFXVKUMXRDDEX-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cccnc1F ZINC000793995189 586029884 /nfs/dbraw/zinc/02/98/84/586029884.db2.gz DJFXVKUMXRDDEX-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CC(C)c1nc(CN2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000794448304 586039817 /nfs/dbraw/zinc/03/98/17/586039817.db2.gz HQEBLOIZCDURIQ-SNVBAGLBSA-N 1 2 237.351 1.064 20 0 BDADLO CC(C)c1nc(CN2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000794448304 586039818 /nfs/dbraw/zinc/03/98/18/586039818.db2.gz HQEBLOIZCDURIQ-SNVBAGLBSA-N 1 2 237.351 1.064 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OC[C@H]1CCCO1 ZINC000794521794 586041882 /nfs/dbraw/zinc/04/18/82/586041882.db2.gz HEGULWLABWCDGC-LLVKDONJSA-N 1 2 235.287 1.302 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794583467 586044932 /nfs/dbraw/zinc/04/49/32/586044932.db2.gz IFZXTRYCLNRGJT-XTOZHPGHSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794583467 586044933 /nfs/dbraw/zinc/04/49/33/586044933.db2.gz IFZXTRYCLNRGJT-XTOZHPGHSA-N 1 2 249.314 1.666 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCC1OCCO1 ZINC000794714364 586047473 /nfs/dbraw/zinc/04/74/73/586047473.db2.gz ODNCOTUGQDLPSR-UHFFFAOYSA-N 1 2 236.271 1.214 20 0 BDADLO Fc1ccc(CN2CCc3[nH+]c[nH]c3C2)nc1 ZINC000859305199 589028953 /nfs/dbraw/zinc/02/89/53/589028953.db2.gz CTALLQAPNFUFAL-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO CC1=CC[N@H+](CN2C[C@@H](C(F)F)CC2=O)CC1 ZINC000795443217 586079168 /nfs/dbraw/zinc/07/91/68/586079168.db2.gz RNKARUCMTZUDSA-JTQLQIEISA-N 1 2 244.285 1.710 20 0 BDADLO CC1=CC[N@@H+](CN2C[C@@H](C(F)F)CC2=O)CC1 ZINC000795443217 586079169 /nfs/dbraw/zinc/07/91/69/586079169.db2.gz RNKARUCMTZUDSA-JTQLQIEISA-N 1 2 244.285 1.710 20 0 BDADLO Cc1ccncc1C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795661305 586090486 /nfs/dbraw/zinc/09/04/86/586090486.db2.gz JKSCCJUACDORNK-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ccncc1C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795661305 586090487 /nfs/dbraw/zinc/09/04/87/586090487.db2.gz JKSCCJUACDORNK-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cccnc1C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795669836 586090943 /nfs/dbraw/zinc/09/09/43/586090943.db2.gz ZWPHVQNAVGKUGL-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cccnc1C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795669836 586090944 /nfs/dbraw/zinc/09/09/44/586090944.db2.gz ZWPHVQNAVGKUGL-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO OC[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(F)cc1 ZINC000796447718 586103533 /nfs/dbraw/zinc/10/35/33/586103533.db2.gz BMROSMHDKCIPNG-LBPRGKRZSA-N 1 2 235.262 1.372 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ccoc1)c1nncn1C ZINC000796455412 586103886 /nfs/dbraw/zinc/10/38/86/586103886.db2.gz XDXAEIQMVOSYDC-LLVKDONJSA-N 1 2 234.303 1.895 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796540303 586106266 /nfs/dbraw/zinc/10/62/66/586106266.db2.gz RNQOQWOEUAKVCO-SNVBAGLBSA-N 1 2 248.317 1.878 20 0 BDADLO Cc1cc(C[NH+]2CCC(F)(F)CC2)nn1C ZINC000796539694 586106367 /nfs/dbraw/zinc/10/63/67/586106367.db2.gz CZOUECCOBOTHDT-UHFFFAOYSA-N 1 2 229.274 1.960 20 0 BDADLO C[C@H](c1nnnn1C)[NH+]1CCC(F)(F)CC1 ZINC000796542254 586106492 /nfs/dbraw/zinc/10/64/92/586106492.db2.gz DACLCKKGVLSTKB-SSDOTTSWSA-N 1 2 231.250 1.002 20 0 BDADLO CN(C)c1cc(COC(=O)c2ccc[nH]2)cc[nH+]1 ZINC000797858850 586133278 /nfs/dbraw/zinc/13/32/78/586133278.db2.gz GXWOGOQJZQVLSX-UHFFFAOYSA-N 1 2 245.282 1.833 20 0 BDADLO Cc1cc[nH]c1C(=O)OCCCn1cc[nH+]c1 ZINC000797910663 586134285 /nfs/dbraw/zinc/13/42/85/586134285.db2.gz WPFFLEPDJBBDAH-UHFFFAOYSA-N 1 2 233.271 1.767 20 0 BDADLO Cn1nc(C[N@@H+]2CCC3(COC3)C2)cc1Cl ZINC000859359860 589033669 /nfs/dbraw/zinc/03/36/69/589033669.db2.gz ZWCLBSDSWMOYAW-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO Cn1nc(C[N@H+]2CCC3(COC3)C2)cc1Cl ZINC000859359860 589033671 /nfs/dbraw/zinc/03/36/71/589033671.db2.gz ZWCLBSDSWMOYAW-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@](O)(C(F)F)C2)o1 ZINC000859323842 589031954 /nfs/dbraw/zinc/03/19/54/589031954.db2.gz LEWXOUKSXURMEU-SNVBAGLBSA-N 1 2 232.230 1.185 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@](O)(C(F)F)C2)o1 ZINC000859323842 589031956 /nfs/dbraw/zinc/03/19/56/589031956.db2.gz LEWXOUKSXURMEU-SNVBAGLBSA-N 1 2 232.230 1.185 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000800395105 586215997 /nfs/dbraw/zinc/21/59/97/586215997.db2.gz OWNNESKBUKUGPU-IQJOONFLSA-N 1 2 238.287 1.277 20 0 BDADLO CC(C)SCC[N@H+](C)CCS(C)(=O)=O ZINC000801515027 586259779 /nfs/dbraw/zinc/25/97/79/586259779.db2.gz SNMCPMYQRJTEMT-UHFFFAOYSA-N 1 2 239.406 1.104 20 0 BDADLO CC(C)SCC[N@@H+](C)CCS(C)(=O)=O ZINC000801515027 586259781 /nfs/dbraw/zinc/25/97/81/586259781.db2.gz SNMCPMYQRJTEMT-UHFFFAOYSA-N 1 2 239.406 1.104 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](C(F)F)C1 ZINC000801559763 586262839 /nfs/dbraw/zinc/26/28/39/586262839.db2.gz LRHSNWSBQYDHKK-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478238 589040138 /nfs/dbraw/zinc/04/01/38/589040138.db2.gz CPNOYPFLYWPTPC-NSHDSACASA-N 1 2 219.240 1.023 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478238 589040140 /nfs/dbraw/zinc/04/01/40/589040140.db2.gz CPNOYPFLYWPTPC-NSHDSACASA-N 1 2 219.240 1.023 20 0 BDADLO CO[C@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)C(C)C ZINC000802236801 586297305 /nfs/dbraw/zinc/29/73/05/586297305.db2.gz RULBRKHJVWSQNS-MNOVXSKESA-N 1 2 247.310 1.244 20 0 BDADLO CO[C@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)C(C)C ZINC000802236801 586297307 /nfs/dbraw/zinc/29/73/07/586297307.db2.gz RULBRKHJVWSQNS-MNOVXSKESA-N 1 2 247.310 1.244 20 0 BDADLO CC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCC1 ZINC000802235056 586298237 /nfs/dbraw/zinc/29/82/37/586298237.db2.gz VQAOMHLYFANMPL-JTQLQIEISA-N 1 2 229.295 1.764 20 0 BDADLO CC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCC1 ZINC000802235056 586298239 /nfs/dbraw/zinc/29/82/39/586298239.db2.gz VQAOMHLYFANMPL-JTQLQIEISA-N 1 2 229.295 1.764 20 0 BDADLO CC(C)[C@@H](F)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802231804 586298242 /nfs/dbraw/zinc/29/82/42/586298242.db2.gz AZSUQCIRBOUERT-NXEZZACHSA-N 1 2 235.274 1.568 20 0 BDADLO CC(C)[C@@H](F)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802231804 586298244 /nfs/dbraw/zinc/29/82/44/586298244.db2.gz AZSUQCIRBOUERT-NXEZZACHSA-N 1 2 235.274 1.568 20 0 BDADLO C[C@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCCO1 ZINC000802243484 586298960 /nfs/dbraw/zinc/29/89/60/586298960.db2.gz GOEDPFTUXLAIJX-CMPLNLGQSA-N 1 2 245.294 1.143 20 0 BDADLO C[C@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCCO1 ZINC000802243484 586298957 /nfs/dbraw/zinc/29/89/57/586298957.db2.gz GOEDPFTUXLAIJX-CMPLNLGQSA-N 1 2 245.294 1.143 20 0 BDADLO O=C1[C@H]2CCC[C@@H]2CN1C[NH+]1CCSCC1 ZINC000839965636 586304644 /nfs/dbraw/zinc/30/46/44/586304644.db2.gz ONXFUMGFZJFMND-MNOVXSKESA-N 1 2 240.372 1.251 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000802788682 586314355 /nfs/dbraw/zinc/31/43/55/586314355.db2.gz NBRUTRKSQGMBJN-NEPJUHHUSA-N 1 2 248.326 1.942 20 0 BDADLO CC(C)[C@H](C(=O)O[C@H](C)C(=O)C1CC1)[NH+](C)C ZINC000803496548 586361376 /nfs/dbraw/zinc/36/13/76/586361376.db2.gz GBKNXBBPAZNYSQ-MWLCHTKSSA-N 1 2 241.331 1.483 20 0 BDADLO CC(C)CC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495356 586361588 /nfs/dbraw/zinc/36/15/88/586361588.db2.gz OHKJYZIZSFPSNO-GFCCVEGCSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)CC1CC1)[NH+](C)C ZINC000803496985 586361651 /nfs/dbraw/zinc/36/16/51/586361651.db2.gz JWJOACXSLRNFOU-GFCCVEGCSA-N 1 2 241.331 1.485 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803701953 586370020 /nfs/dbraw/zinc/37/00/20/586370020.db2.gz BGSBWPLYYQWQPB-GXSJLCMTSA-N 1 2 229.320 1.483 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840026663 586384223 /nfs/dbraw/zinc/38/42/23/586384223.db2.gz HJPZCOWJIIEHJT-KXNHARMFSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840026663 586384226 /nfs/dbraw/zinc/38/42/26/586384226.db2.gz HJPZCOWJIIEHJT-KXNHARMFSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2CCO[C@H](C)[C@H]2C)C(=O)[C@H]1C ZINC000840029774 586385113 /nfs/dbraw/zinc/38/51/13/586385113.db2.gz UQJHEFXICVIYJJ-WRWGMCAJSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H]1CN(C[N@H+]2CCO[C@H](C)[C@H]2C)C(=O)[C@H]1C ZINC000840029774 586385115 /nfs/dbraw/zinc/38/51/15/586385115.db2.gz UQJHEFXICVIYJJ-WRWGMCAJSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)O[C@H](C)[C@H]2C)C1=O ZINC000840054133 586403787 /nfs/dbraw/zinc/40/37/87/586403787.db2.gz QRKJTWVOURUKQY-IRCOFANPSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)O[C@H](C)[C@H]2C)C1=O ZINC000840054133 586403789 /nfs/dbraw/zinc/40/37/89/586403789.db2.gz QRKJTWVOURUKQY-IRCOFANPSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@H]1CCN(C[NH+]2CCC(F)(F)CC2)C1=O ZINC000840064158 586413886 /nfs/dbraw/zinc/41/38/86/586413886.db2.gz ZUHUGKKYAFUGHV-VIFPVBQESA-N 1 2 232.274 1.543 20 0 BDADLO CSCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000806887804 586419981 /nfs/dbraw/zinc/41/99/81/586419981.db2.gz DUBJWYMGNLBKPN-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO CC[NH2+]Cc1noc(COc2cccnc2)n1 ZINC000843145845 586445710 /nfs/dbraw/zinc/44/57/10/586445710.db2.gz XLAHDFQTFULWOC-UHFFFAOYSA-N 1 2 234.259 1.153 20 0 BDADLO CC[NH2+]Cc1noc(CCCn2cccn2)n1 ZINC000843145601 586445743 /nfs/dbraw/zinc/44/57/43/586445743.db2.gz ORZULBCUMWAUPE-UHFFFAOYSA-N 1 2 235.291 1.008 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2CC[C@@H](F)C2)C(=O)[C@H]1C ZINC000840102530 586446761 /nfs/dbraw/zinc/44/67/61/586446761.db2.gz NLIUQXGELDJVPG-KXUCPTDWSA-N 1 2 214.284 1.102 20 0 BDADLO C[C@@H]1CN(C[N@H+]2CC[C@@H](F)C2)C(=O)[C@H]1C ZINC000840102530 586446763 /nfs/dbraw/zinc/44/67/63/586446763.db2.gz NLIUQXGELDJVPG-KXUCPTDWSA-N 1 2 214.284 1.102 20 0 BDADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@H](F)C2)C1(C)C ZINC000840103820 586446876 /nfs/dbraw/zinc/44/68/76/586446876.db2.gz OXNSITVDNIISHC-VIFPVBQESA-N 1 2 228.311 1.635 20 0 BDADLO CC1(C)C(=O)N(C[N@H+]2CC[C@H](F)C2)C1(C)C ZINC000840103820 586446878 /nfs/dbraw/zinc/44/68/78/586446878.db2.gz OXNSITVDNIISHC-VIFPVBQESA-N 1 2 228.311 1.635 20 0 BDADLO CO[C@@H]1CC[N@H+](Cn2cc(Cl)cn2)C[C@H]1C ZINC000840121917 586449994 /nfs/dbraw/zinc/44/99/94/586449994.db2.gz BWSLBZZPJYODKI-MWLCHTKSSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cn2cc(Cl)cn2)C[C@H]1C ZINC000840121917 586449995 /nfs/dbraw/zinc/44/99/95/586449995.db2.gz BWSLBZZPJYODKI-MWLCHTKSSA-N 1 2 243.738 1.851 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1C(=O)CCC1(C)C ZINC000808167939 586466043 /nfs/dbraw/zinc/46/60/43/586466043.db2.gz GJWYVQIZXJQJEY-UHFFFAOYSA-N 1 2 249.358 1.815 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1C(=O)CCC1(C)C ZINC000808167939 586466044 /nfs/dbraw/zinc/46/60/44/586466044.db2.gz GJWYVQIZXJQJEY-UHFFFAOYSA-N 1 2 249.358 1.815 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cnc(C3CC3)s2)n1 ZINC000808415723 586471701 /nfs/dbraw/zinc/47/17/01/586471701.db2.gz GUQUASGVUAFSCG-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000808745067 586486897 /nfs/dbraw/zinc/48/68/97/586486897.db2.gz KQPUATRWDYJVFU-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000808745067 586486899 /nfs/dbraw/zinc/48/68/99/586486899.db2.gz KQPUATRWDYJVFU-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000809772936 586519306 /nfs/dbraw/zinc/51/93/06/586519306.db2.gz FHPUANVRXWXTQK-LLVKDONJSA-N 1 2 239.271 1.044 20 0 BDADLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccoc1 ZINC000809772936 586519309 /nfs/dbraw/zinc/51/93/09/586519309.db2.gz FHPUANVRXWXTQK-LLVKDONJSA-N 1 2 239.271 1.044 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@](C)(CO)C(C)C ZINC000810076943 586533382 /nfs/dbraw/zinc/53/33/82/586533382.db2.gz PVCBBNVEELUIPQ-AAEUAGOBSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1ccc(OCC[NH2+][C@]2(C)CCOC2=O)cc1 ZINC000810097482 586533499 /nfs/dbraw/zinc/53/34/99/586533499.db2.gz IGEHMOUGAMPIGM-CQSZACIVSA-N 1 2 249.310 1.669 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccco1 ZINC000810756208 586546395 /nfs/dbraw/zinc/54/63/95/586546395.db2.gz YCEIHGKXGWNPKR-SNAWJCMRSA-N 1 2 231.255 1.343 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)C1CCCC1 ZINC000810755226 586546437 /nfs/dbraw/zinc/54/64/37/586546437.db2.gz RSIWPRLXFHOCED-SNVBAGLBSA-N 1 2 235.331 1.863 20 0 BDADLO CCC1=C(C(=O)NCc2c[nH+]cn2C)CCCO1 ZINC000811588900 586561858 /nfs/dbraw/zinc/56/18/58/586561858.db2.gz CMBXMBBGCVYQCG-UHFFFAOYSA-N 1 2 249.314 1.511 20 0 BDADLO Cc1occc1CNC(=O)NCc1c[nH+]cn1C ZINC000811866946 586568184 /nfs/dbraw/zinc/56/81/84/586568184.db2.gz OWMWSYGVXYNEDP-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO C[N@H+](C[C@H]1CCC=CO1)[C@H]1CC(C)(C)OC1=O ZINC000814179586 586615780 /nfs/dbraw/zinc/61/57/80/586615780.db2.gz VLLYFRGALPYYNT-MNOVXSKESA-N 1 2 239.315 1.705 20 0 BDADLO C[N@@H+](C[C@H]1CCC=CO1)[C@H]1CC(C)(C)OC1=O ZINC000814179586 586615781 /nfs/dbraw/zinc/61/57/81/586615781.db2.gz VLLYFRGALPYYNT-MNOVXSKESA-N 1 2 239.315 1.705 20 0 BDADLO c1cc(C[NH+]2CCC3(CC2)OCCCO3)no1 ZINC000815157575 586671000 /nfs/dbraw/zinc/67/10/00/586671000.db2.gz GWUDJRRNONZVPC-UHFFFAOYSA-N 1 2 238.287 1.404 20 0 BDADLO CCCS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@@H]1C ZINC000815164521 586672465 /nfs/dbraw/zinc/67/24/65/586672465.db2.gz XPOQTCUAXNICFT-UWVGGRQHSA-N 1 2 219.350 1.151 20 0 BDADLO CCCS(=O)(=O)CC[N@H+]1C[C@H](C)[C@@H]1C ZINC000815164521 586672467 /nfs/dbraw/zinc/67/24/67/586672467.db2.gz XPOQTCUAXNICFT-UWVGGRQHSA-N 1 2 219.350 1.151 20 0 BDADLO CO[C@H](COC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000816384386 586723543 /nfs/dbraw/zinc/72/35/43/586723543.db2.gz QCCCECBAYSDILO-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CO[C@H](COC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000816384386 586723545 /nfs/dbraw/zinc/72/35/45/586723545.db2.gz QCCCECBAYSDILO-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO C[NH+](C)C1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000816524202 586738090 /nfs/dbraw/zinc/73/80/90/586738090.db2.gz WKCKXBCCCQMRKL-AHXFUIDQSA-N 1 2 242.216 1.096 20 0 BDADLO C[NH+](C)C1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC000816524202 586738092 /nfs/dbraw/zinc/73/80/92/586738092.db2.gz WKCKXBCCCQMRKL-AHXFUIDQSA-N 1 2 242.216 1.096 20 0 BDADLO CC(Cl)(Cl)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000816652653 586752411 /nfs/dbraw/zinc/75/24/11/586752411.db2.gz PNYGWMJUWPHKLM-UHFFFAOYSA-N 1 2 248.113 1.488 20 0 BDADLO CC(Cl)(Cl)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000816652653 586752412 /nfs/dbraw/zinc/75/24/12/586752412.db2.gz PNYGWMJUWPHKLM-UHFFFAOYSA-N 1 2 248.113 1.488 20 0 BDADLO COc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816811567 586765573 /nfs/dbraw/zinc/76/55/73/586765573.db2.gz FXTLDMHOHBNSJU-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO Cc1csc(CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000816834290 586766968 /nfs/dbraw/zinc/76/69/68/586766968.db2.gz MHVHOAXZICKDCU-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO CCCCN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000816830195 586766971 /nfs/dbraw/zinc/76/69/71/586766971.db2.gz VULPJCKLSGOQOY-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO CC1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816845565 586768307 /nfs/dbraw/zinc/76/83/07/586768307.db2.gz VAKFBRSBZLOZMH-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1c(F)ccnc1F ZINC000816923789 586771900 /nfs/dbraw/zinc/77/19/00/586771900.db2.gz QSBUMQQWZNHOHY-UHFFFAOYSA-N 1 2 238.197 1.013 20 0 BDADLO CC1=C(C)CN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816974573 586775504 /nfs/dbraw/zinc/77/55/04/586775504.db2.gz HCYMFMHDDBTGLU-UHFFFAOYSA-N 1 2 219.288 1.521 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000817231418 586787432 /nfs/dbraw/zinc/78/74/32/586787432.db2.gz SQDSVUKSPYOTEF-SECBINFHSA-N 1 2 206.245 1.226 20 0 BDADLO CC[C@H]1C[NH+](Cn2cnnc2)C[C@H](CC)O1 ZINC000817364891 586799075 /nfs/dbraw/zinc/79/90/75/586799075.db2.gz KMCKUHZXRXVDFH-QWRGUYRKSA-N 1 2 224.308 1.125 20 0 BDADLO O=C(NOCCC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000817379237 586799227 /nfs/dbraw/zinc/79/92/27/586799227.db2.gz KBIQXOLOYACAIJ-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO O=C(NOCCC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000817412967 586801964 /nfs/dbraw/zinc/80/19/64/586801964.db2.gz JUPCERSQONRALS-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1CC12CC2 ZINC000817731842 586822453 /nfs/dbraw/zinc/82/24/53/586822453.db2.gz ZGSYWJATSMOAIL-SNVBAGLBSA-N 1 2 234.299 1.696 20 0 BDADLO FCC[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000859909908 589070308 /nfs/dbraw/zinc/07/03/08/589070308.db2.gz ZDBAFLCTHXROOA-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO FCC[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000859909908 589070310 /nfs/dbraw/zinc/07/03/10/589070310.db2.gz ZDBAFLCTHXROOA-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO COc1cccc2c1C[N@H+](CC[S@](C)=O)C2 ZINC000859940091 589072620 /nfs/dbraw/zinc/07/26/20/589072620.db2.gz YACOJLPETXDJBN-INIZCTEOSA-N 1 2 239.340 1.389 20 0 BDADLO COc1cccc2c1C[N@@H+](CC[S@](C)=O)C2 ZINC000859940091 589072621 /nfs/dbraw/zinc/07/26/21/589072621.db2.gz YACOJLPETXDJBN-INIZCTEOSA-N 1 2 239.340 1.389 20 0 BDADLO Oc1cccc2c1CC[N@H+](CC1OCCO1)C2 ZINC000859946023 589072656 /nfs/dbraw/zinc/07/26/56/589072656.db2.gz FERSUERAWSUMDN-UHFFFAOYSA-N 1 2 235.283 1.123 20 0 BDADLO Oc1cccc2c1CC[N@@H+](CC1OCCO1)C2 ZINC000859946023 589072658 /nfs/dbraw/zinc/07/26/58/589072658.db2.gz FERSUERAWSUMDN-UHFFFAOYSA-N 1 2 235.283 1.123 20 0 BDADLO Cc1ccc2[nH+]cc(C[NH2+]CCC(=O)[O-])n2c1 ZINC000818936052 586915817 /nfs/dbraw/zinc/91/58/17/586915817.db2.gz DTYHWPMPERBEGE-UHFFFAOYSA-N 1 2 233.271 1.207 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)NCCCn1cc[nH+]c1 ZINC000818998007 586922186 /nfs/dbraw/zinc/92/21/86/586922186.db2.gz OPWHJKAMOSGYPE-ITKZLYELSA-N 1 2 249.314 1.125 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819022138 586924386 /nfs/dbraw/zinc/92/43/86/586924386.db2.gz CGJBOXPUEDFZPX-GZTOBOFZSA-N 1 2 249.314 1.114 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\[C@H]1CCCO1 ZINC000819257919 586944786 /nfs/dbraw/zinc/94/47/86/586944786.db2.gz ZWTWPAFVZOHZAV-UMCURTJPSA-N 1 2 235.287 1.103 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCCO2)cc[nH+]1 ZINC000819274683 586946670 /nfs/dbraw/zinc/94/66/70/586946670.db2.gz JIXVCPVXNMKPQU-RXNFCKPNSA-N 1 2 232.283 1.486 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)N[C@H]1CCn2cc[nH+]c21 ZINC000819544089 586976150 /nfs/dbraw/zinc/97/61/50/586976150.db2.gz JKLBWZGLBHPGSJ-SEUFLZDSSA-N 1 2 247.298 1.179 20 0 BDADLO CC(C)OCCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819776231 586992677 /nfs/dbraw/zinc/99/26/77/586992677.db2.gz NPUIVLQDDCGETI-SECBINFHSA-N 1 2 244.360 1.799 20 0 BDADLO CC(C)OCCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819776233 586992693 /nfs/dbraw/zinc/99/26/93/586992693.db2.gz NPUIVLQDDCGETI-VIFPVBQESA-N 1 2 244.360 1.799 20 0 BDADLO C/C(=C/C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000819973160 587009422 /nfs/dbraw/zinc/00/94/22/587009422.db2.gz RVLJJNOJOGNANO-TWGQIWQCSA-N 1 2 231.299 1.651 20 0 BDADLO C/C(=C/C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000819973160 587009424 /nfs/dbraw/zinc/00/94/24/587009424.db2.gz RVLJJNOJOGNANO-TWGQIWQCSA-N 1 2 231.299 1.651 20 0 BDADLO C[C@@H](NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)c1[nH]cc[nH+]1 ZINC000820191390 587033813 /nfs/dbraw/zinc/03/38/13/587033813.db2.gz DKIAHPHYYMXFGS-PQTSNVLCSA-N 1 2 245.326 1.879 20 0 BDADLO C[C@H]1CC[N@H+](CCC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820238392 587037508 /nfs/dbraw/zinc/03/75/08/587037508.db2.gz OWCLCAMIDXHFAP-WDEREUQCSA-N 1 2 237.303 1.241 20 0 BDADLO C[C@H]1CC[N@@H+](CCC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820238392 587037510 /nfs/dbraw/zinc/03/75/10/587037510.db2.gz OWCLCAMIDXHFAP-WDEREUQCSA-N 1 2 237.303 1.241 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H]2C(F)F)c1 ZINC000820869609 587078462 /nfs/dbraw/zinc/07/84/62/587078462.db2.gz WMOLJMIZXAMGPC-GKQMSVHHSA-N 1 2 241.241 1.299 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)C(F)=C1CCC1 ZINC000821376347 587114375 /nfs/dbraw/zinc/11/43/75/587114375.db2.gz XDDYYFCNXQEKLM-UHFFFAOYSA-N 1 2 243.278 1.269 20 0 BDADLO CCC[C@](C)([NH2+]C[C@@H]1CCC(=O)O1)C(=O)OC ZINC000821381374 587115073 /nfs/dbraw/zinc/11/50/73/587115073.db2.gz XDRLMKBKQRVZSB-CABZTGNLSA-N 1 2 243.303 1.013 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821502571 587123023 /nfs/dbraw/zinc/12/30/23/587123023.db2.gz SCRIFUZSVBKMJM-UXFRKABBSA-N 1 2 249.314 1.117 20 0 BDADLO CCOC1CC(O[NH+]=C(N)[C@H](C)OC)C1 ZINC000863458703 589290024 /nfs/dbraw/zinc/29/00/24/589290024.db2.gz DHXCCEXTPHRZJQ-UEJVZZJDSA-N 1 2 216.281 1.087 20 0 BDADLO CCC(=O)OCc1ccc[nH+]c1N(C)C ZINC000821608224 587132571 /nfs/dbraw/zinc/13/25/71/587132571.db2.gz XZSWLIRQJOJAEG-UHFFFAOYSA-N 1 2 208.261 1.601 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1ccc(O)cc1F ZINC000821779228 587137558 /nfs/dbraw/zinc/13/75/58/587137558.db2.gz SXFDDULULOEUIJ-UHFFFAOYSA-N 1 2 238.262 1.566 20 0 BDADLO CC[C@](C)(O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821785780 587137836 /nfs/dbraw/zinc/13/78/36/587137836.db2.gz HDJTXEYXRHQPPU-AUTRQRHGSA-N 1 2 237.303 1.166 20 0 BDADLO CCOc1ncccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000821826844 587140599 /nfs/dbraw/zinc/14/05/99/587140599.db2.gz ZVTSJQWDUXBNNU-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCc1c[nH]c(CC(=O)NC23CCC(CC2)C3)[nH+]1 ZINC000821861365 587144574 /nfs/dbraw/zinc/14/45/74/587144574.db2.gz AERKINDYBUDHPS-UHFFFAOYSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000821935987 587147218 /nfs/dbraw/zinc/14/72/18/587147218.db2.gz WOVZJHQLHIJUTO-UHFFFAOYSA-N 1 2 233.271 1.213 20 0 BDADLO Cc1cc(C)c(CNC(=O)CC2(C)COC2)c[nH+]1 ZINC000822016538 587149138 /nfs/dbraw/zinc/14/91/38/587149138.db2.gz BARPMCOHXICEQP-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)/C=C\c2cn(C)c[nH+]2)O1 ZINC000822337424 587163092 /nfs/dbraw/zinc/16/30/92/587163092.db2.gz HHZBQGPNZWJEJQ-RDVLDQKLSA-N 1 2 249.314 1.117 20 0 BDADLO CCN(CC(=O)NC)Cc1c[nH+]cn1C(C)C ZINC000822442629 587168446 /nfs/dbraw/zinc/16/84/46/587168446.db2.gz GEXVVMPCMFPLJN-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000822523993 587173203 /nfs/dbraw/zinc/17/32/03/587173203.db2.gz STGFCOUQLIPUGM-MMRAYRKESA-N 1 2 240.347 1.180 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccoc2)C1 ZINC000822534819 587173826 /nfs/dbraw/zinc/17/38/26/587173826.db2.gz YEAVIAMMEMCWDR-UHFFFAOYSA-N 1 2 209.245 1.275 20 0 BDADLO C/C=C(/C)C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823036135 587199228 /nfs/dbraw/zinc/19/92/28/587199228.db2.gz YIUOJGGQWLFWOS-JYOAFUTRSA-N 1 2 248.330 1.020 20 0 BDADLO Cc1cn2ccc(C(=O)NOCC3CC3)cc2[nH+]1 ZINC000823144273 587205551 /nfs/dbraw/zinc/20/55/51/587205551.db2.gz BXCWXCLZAUZJHM-UHFFFAOYSA-N 1 2 245.282 1.714 20 0 BDADLO CCn1nc(C)c(CNc2ccc(OC)c[nH+]2)n1 ZINC000824012248 587248237 /nfs/dbraw/zinc/24/82/37/587248237.db2.gz STEYUBLVZQTYQU-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C23CC(C2)C3)CCO1 ZINC000860272924 589092823 /nfs/dbraw/zinc/09/28/23/589092823.db2.gz HTYKDFBAJISEBG-XSRFYTQQSA-N 1 2 239.315 1.050 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C23CC(C2)C3)CCO1 ZINC000860272924 589092825 /nfs/dbraw/zinc/09/28/25/589092825.db2.gz HTYKDFBAJISEBG-XSRFYTQQSA-N 1 2 239.315 1.050 20 0 BDADLO COC(OC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000824574268 587277650 /nfs/dbraw/zinc/27/76/50/587277650.db2.gz JXCWBDZNWCGDTD-UHFFFAOYSA-N 1 2 249.270 1.200 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)C(C1CC1)C1CC1 ZINC000824796807 587287730 /nfs/dbraw/zinc/28/77/30/587287730.db2.gz MLEBZTHUCCWHRT-UHFFFAOYSA-N 1 2 233.315 1.599 20 0 BDADLO CCn1ccc(NC(=O)/C=C/c2cn(C)c[nH+]2)n1 ZINC000825068911 587302226 /nfs/dbraw/zinc/30/22/26/587302226.db2.gz BFPAAQHENWSNHG-SNAWJCMRSA-N 1 2 245.286 1.288 20 0 BDADLO CCONC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000825461899 587319837 /nfs/dbraw/zinc/31/98/37/587319837.db2.gz RZDTUSLABVGGRP-UHFFFAOYSA-N 1 2 234.259 1.716 20 0 BDADLO CC(C)C1(C(=O)N[C@H]2CCn3c[nH+]cc32)COC1 ZINC000825513007 587322626 /nfs/dbraw/zinc/32/26/26/587322626.db2.gz NVIKVZRQMDHNPH-JTQLQIEISA-N 1 2 249.314 1.117 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000825666034 587330565 /nfs/dbraw/zinc/33/05/65/587330565.db2.gz FJRGFZIPSLQXHB-MRVPVSSYSA-N 1 2 235.274 1.615 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OCC(C)C)CO1 ZINC000825671825 587330996 /nfs/dbraw/zinc/33/09/96/587330996.db2.gz QEBDPLCZUUIPPP-SDDRHHMPSA-N 1 2 243.347 1.731 20 0 BDADLO C/C(=C/C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742065 587335956 /nfs/dbraw/zinc/33/59/56/587335956.db2.gz VRVXCJOOFKDBKK-NEOSZVFXSA-N 1 2 249.314 1.620 20 0 BDADLO C/C(=C/C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742065 587335958 /nfs/dbraw/zinc/33/59/58/587335958.db2.gz VRVXCJOOFKDBKK-NEOSZVFXSA-N 1 2 249.314 1.620 20 0 BDADLO FC1(F)[C@H]2CN(Cc3c[nH+]c4n3CCC4)C[C@H]21 ZINC000826142714 587351103 /nfs/dbraw/zinc/35/11/03/587351103.db2.gz IXRGFZVWVXGIGN-AOOOYVTPSA-N 1 2 239.269 1.526 20 0 BDADLO CCC[C@H](O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000826597489 587356140 /nfs/dbraw/zinc/35/61/40/587356140.db2.gz DUTKDSLQIGGUHB-NSHDSACASA-N 1 2 247.298 1.742 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826703677 587359467 /nfs/dbraw/zinc/35/94/67/587359467.db2.gz HRXKYANQJKLLMX-LERXQTSPSA-N 1 2 244.338 1.945 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826703677 587359468 /nfs/dbraw/zinc/35/94/68/587359468.db2.gz HRXKYANQJKLLMX-LERXQTSPSA-N 1 2 244.338 1.945 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000826734277 587360566 /nfs/dbraw/zinc/36/05/66/587360566.db2.gz QHEGWOZGVDOFTA-MVIFTORASA-N 1 2 247.342 1.938 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC(CC3CC3)C2)c1 ZINC000826869301 587364635 /nfs/dbraw/zinc/36/46/35/587364635.db2.gz OLWZOPFNHBNREV-SNAWJCMRSA-N 1 2 245.326 1.692 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cc(F)ncc1F)CC2 ZINC000827290911 587375455 /nfs/dbraw/zinc/37/54/55/587375455.db2.gz IACXSYNVLXXFON-JOYOIKCWSA-N 1 2 240.253 1.317 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cc(F)ncc1F)CC2 ZINC000827290911 587375456 /nfs/dbraw/zinc/37/54/56/587375456.db2.gz IACXSYNVLXXFON-JOYOIKCWSA-N 1 2 240.253 1.317 20 0 BDADLO Cc1noc(C)c1[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000827728853 587399836 /nfs/dbraw/zinc/39/98/36/587399836.db2.gz PHPFWKIERBUKEM-ZETCQYMHSA-N 1 2 248.286 1.434 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3nn[nH]c3C2)c(C)o1 ZINC000827884649 587407626 /nfs/dbraw/zinc/40/76/26/587407626.db2.gz FLPSETQBCWOIPJ-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO Cc1cc(C[N@H+]2CCc3nn[nH]c3C2)c(C)o1 ZINC000827884649 587407629 /nfs/dbraw/zinc/40/76/29/587407629.db2.gz FLPSETQBCWOIPJ-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO CCCONC(=O)NCc1c[nH+]ccc1OC ZINC000828334099 587436529 /nfs/dbraw/zinc/43/65/29/587436529.db2.gz JEFAXNRWKXVVPF-UHFFFAOYSA-N 1 2 239.275 1.231 20 0 BDADLO CCc1cc(N[C@@H]2CCn3cc[nH+]c32)ncn1 ZINC000828357206 587437928 /nfs/dbraw/zinc/43/79/28/587437928.db2.gz AJIOVSWUTBXDFM-SNVBAGLBSA-N 1 2 229.287 1.792 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000828491077 587445341 /nfs/dbraw/zinc/44/53/41/587445341.db2.gz UAAMZFFPOCUJGE-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000828607717 587453469 /nfs/dbraw/zinc/45/34/69/587453469.db2.gz WWVFDZNFTMPNEM-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@@](C)(CC(=O)[O-])[NH2+]CC[NH+]1CCCCC1 ZINC000828658388 587456047 /nfs/dbraw/zinc/45/60/47/587456047.db2.gz UYVCLESURQCHFW-ZDUSSCGKSA-N 1 2 242.363 1.705 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)S1 ZINC000828956381 587475469 /nfs/dbraw/zinc/47/54/69/587475469.db2.gz WCSQNDUVJNSPJZ-IUCAKERBSA-N 1 2 239.344 1.305 20 0 BDADLO CC/C(C)=C/C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000828979210 587477229 /nfs/dbraw/zinc/47/72/29/587477229.db2.gz NBEIMHGQPUGCOQ-JXMROGBWSA-N 1 2 233.315 1.890 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC1CC(F)(F)C1 ZINC000829092518 587483178 /nfs/dbraw/zinc/48/31/78/587483178.db2.gz FCNJRMDTTSUNGQ-MRVPVSSYSA-N 1 2 241.228 1.734 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC1CC(F)(F)C1 ZINC000829092518 587483180 /nfs/dbraw/zinc/48/31/80/587483180.db2.gz FCNJRMDTTSUNGQ-MRVPVSSYSA-N 1 2 241.228 1.734 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829432812 587497138 /nfs/dbraw/zinc/49/71/38/587497138.db2.gz NFPZPWDYCJIKHF-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO CCC1(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)CC1 ZINC000829441983 587497784 /nfs/dbraw/zinc/49/77/84/587497784.db2.gz PTDHWLPAVCBQBE-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO CCC1(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)CC1 ZINC000829441983 587497785 /nfs/dbraw/zinc/49/77/85/587497785.db2.gz PTDHWLPAVCBQBE-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000829506263 587500779 /nfs/dbraw/zinc/50/07/79/587500779.db2.gz QFYLTNMJWJEGNU-JTQLQIEISA-N 1 2 235.274 1.712 20 0 BDADLO CCC(=O)CCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000829506263 587500780 /nfs/dbraw/zinc/50/07/80/587500780.db2.gz QFYLTNMJWJEGNU-JTQLQIEISA-N 1 2 235.274 1.712 20 0 BDADLO CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000829589921 587505073 /nfs/dbraw/zinc/50/50/73/587505073.db2.gz RWNROILBYRCTKP-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO COCC1(CC(=O)OCCn2cc[nH+]c2)CC1 ZINC000829879222 587527292 /nfs/dbraw/zinc/52/72/92/587527292.db2.gz NDBUHPMTQMLVBW-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]2CCC(=O)N2)c(C)[nH+]1 ZINC000829948511 587529402 /nfs/dbraw/zinc/52/94/02/587529402.db2.gz PUZDJUCQTNYACN-JTQLQIEISA-N 1 2 247.298 1.306 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]2CCC(=O)N2)c(C)[nH+]1 ZINC000829948513 587529702 /nfs/dbraw/zinc/52/97/02/587529702.db2.gz PUZDJUCQTNYACN-SNVBAGLBSA-N 1 2 247.298 1.306 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000830028521 587532346 /nfs/dbraw/zinc/53/23/46/587532346.db2.gz NKLJGMVJVRNIGH-WCBMZHEXSA-N 1 2 208.309 1.447 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000830028521 587532348 /nfs/dbraw/zinc/53/23/48/587532348.db2.gz NKLJGMVJVRNIGH-WCBMZHEXSA-N 1 2 208.309 1.447 20 0 BDADLO C[C@]1(F)CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000830212208 587541290 /nfs/dbraw/zinc/54/12/90/587541290.db2.gz LYYUCNYCLBTGFA-SCZZXKLOSA-N 1 2 201.241 1.126 20 0 BDADLO C[C@]1(F)CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000830212208 587541292 /nfs/dbraw/zinc/54/12/92/587541292.db2.gz LYYUCNYCLBTGFA-SCZZXKLOSA-N 1 2 201.241 1.126 20 0 BDADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000830213032 587541974 /nfs/dbraw/zinc/54/19/74/587541974.db2.gz XZOIOUVJDBPRCU-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO CCS(=O)(=O)CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000830213032 587541975 /nfs/dbraw/zinc/54/19/75/587541975.db2.gz XZOIOUVJDBPRCU-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO CCn1cc[nH+]c1Cn1cc(C(=O)[O-])[nH+]c1C ZINC000830429700 587551352 /nfs/dbraw/zinc/55/13/52/587551352.db2.gz LQIXRDRUUFVAEK-UHFFFAOYSA-N 1 2 234.259 1.154 20 0 BDADLO CC(C)N(CC(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000830498927 587554723 /nfs/dbraw/zinc/55/47/23/587554723.db2.gz SGBUEBMQROXMIB-UHFFFAOYSA-N 1 2 231.246 1.454 20 0 BDADLO CCn1ccc(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000830746066 587566537 /nfs/dbraw/zinc/56/65/37/587566537.db2.gz RQOFOZQWPJJORK-UHFFFAOYSA-N 1 2 248.286 1.347 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1(F)CC1 ZINC000830749947 587566869 /nfs/dbraw/zinc/56/68/69/587566869.db2.gz VCNZSQZMDPXYNS-UHFFFAOYSA-N 1 2 225.219 1.636 20 0 BDADLO CC1=CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000831199002 587591430 /nfs/dbraw/zinc/59/14/30/587591430.db2.gz MNGJYWCLEBCFHQ-UHFFFAOYSA-N 1 2 205.261 1.131 20 0 BDADLO O=C(NN1CCCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000831256459 587593877 /nfs/dbraw/zinc/59/38/77/587593877.db2.gz WLLRUCCVAOYPEZ-JTQLQIEISA-N 1 2 248.330 1.032 20 0 BDADLO O=C(NN1CCCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000831256459 587593878 /nfs/dbraw/zinc/59/38/78/587593878.db2.gz WLLRUCCVAOYPEZ-JTQLQIEISA-N 1 2 248.330 1.032 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC1CC=CC1 ZINC000831420510 587605274 /nfs/dbraw/zinc/60/52/74/587605274.db2.gz YIOYGYLNIYGFMH-UHFFFAOYSA-N 1 2 219.288 1.425 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCC1CC=CC1 ZINC000831420510 587605276 /nfs/dbraw/zinc/60/52/76/587605276.db2.gz YIOYGYLNIYGFMH-UHFFFAOYSA-N 1 2 219.288 1.425 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000831507889 587615333 /nfs/dbraw/zinc/61/53/33/587615333.db2.gz FQFBBRWYZXIIRH-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(CF)cc2)CC(=O)N1 ZINC000831764545 587630996 /nfs/dbraw/zinc/63/09/96/587630996.db2.gz XPPLBIVFUUTTDZ-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(CF)cc2)CC(=O)N1 ZINC000831764545 587630998 /nfs/dbraw/zinc/63/09/98/587630998.db2.gz XPPLBIVFUUTTDZ-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO CCc1cnccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000831828277 587633403 /nfs/dbraw/zinc/63/34/03/587633403.db2.gz JVPRDYRTGKMBCJ-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO C[C@H]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000831956586 587638884 /nfs/dbraw/zinc/63/88/84/587638884.db2.gz IGHVLFRFXFXJAI-FZMZJTMJSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]2CCCC[C@@H]21 ZINC000831966279 587639966 /nfs/dbraw/zinc/63/99/66/587639966.db2.gz MHHOSTBNQDWSQG-IJLUTSLNSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000832146678 587646810 /nfs/dbraw/zinc/64/68/10/587646810.db2.gz BKXNVBLBBYLBQU-VWYCJHECSA-N 1 2 235.331 1.893 20 0 BDADLO CON(C(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000832167322 587648130 /nfs/dbraw/zinc/64/81/30/587648130.db2.gz DITKOLDASINSGV-UHFFFAOYSA-N 1 2 223.276 1.285 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)OCc1ccccc1 ZINC000832220421 587651277 /nfs/dbraw/zinc/65/12/77/587651277.db2.gz UYOXUIIFXMWXJG-DGCLKSJQSA-N 1 2 249.310 1.185 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)OCc1ccccc1 ZINC000832220421 587651278 /nfs/dbraw/zinc/65/12/78/587651278.db2.gz UYOXUIIFXMWXJG-DGCLKSJQSA-N 1 2 249.310 1.185 20 0 BDADLO CCC[C@@H](O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000832668977 587675989 /nfs/dbraw/zinc/67/59/89/587675989.db2.gz VEUDEMWHTLPYMK-LLVKDONJSA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@@H](O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000832668977 587675990 /nfs/dbraw/zinc/67/59/90/587675990.db2.gz VEUDEMWHTLPYMK-LLVKDONJSA-N 1 2 239.319 1.010 20 0 BDADLO C[C@@H]1CC2(CCC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000834447316 587755387 /nfs/dbraw/zinc/75/53/87/587755387.db2.gz JPROJXOWLHOXKF-SNVBAGLBSA-N 1 2 233.315 1.743 20 0 BDADLO Cc1ccncc1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000834840949 587768409 /nfs/dbraw/zinc/76/84/09/587768409.db2.gz YHMDUICNBIVFAC-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO CCC(C)(C)c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000867170251 587827960 /nfs/dbraw/zinc/82/79/60/587827960.db2.gz HILGTJRFQLRECG-SECBINFHSA-N 1 2 239.319 1.760 20 0 BDADLO CCC(C)(C)c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000867170251 587827961 /nfs/dbraw/zinc/82/79/61/587827961.db2.gz HILGTJRFQLRECG-SECBINFHSA-N 1 2 239.319 1.760 20 0 BDADLO O=C(NCC1CCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836215222 587828712 /nfs/dbraw/zinc/82/87/12/587828712.db2.gz AHYHAZJUIJCCSS-SNVBAGLBSA-N 1 2 234.303 1.427 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836298934 587830246 /nfs/dbraw/zinc/83/02/46/587830246.db2.gz MFJDYRSJENYHAU-NXEZZACHSA-N 1 2 248.330 1.673 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836414693 587832742 /nfs/dbraw/zinc/83/27/42/587832742.db2.gz ADFBNIWMVMSLFE-MXWKQRLJSA-N 1 2 248.330 1.816 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1nonc1C ZINC000836951637 587843697 /nfs/dbraw/zinc/84/36/97/587843697.db2.gz YWYPODPAZHZMJA-MRVPVSSYSA-N 1 2 249.274 1.085 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1=CCCCO1 ZINC000836951065 587843745 /nfs/dbraw/zinc/84/37/45/587843745.db2.gz WLNYADVDMHXKNG-JTQLQIEISA-N 1 2 249.314 1.775 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C(C)(C)F)n1 ZINC000837265978 587862386 /nfs/dbraw/zinc/86/23/86/587862386.db2.gz UFWGPBZSGIJSTG-UHFFFAOYSA-N 1 2 245.323 1.891 20 0 BDADLO CCC[C@H](O)CC(=O)OCCc1c[nH+]cn1C ZINC000837529766 587880076 /nfs/dbraw/zinc/88/00/76/587880076.db2.gz NNTOECKCOAPTJK-NSHDSACASA-N 1 2 240.303 1.057 20 0 BDADLO CC[C@H](C)NC(=S)NCCc1cn(C)c[nH+]1 ZINC000840842343 587925077 /nfs/dbraw/zinc/92/50/77/587925077.db2.gz WCTSSFSOQKIYIG-VIFPVBQESA-N 1 2 240.376 1.225 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)nn1 ZINC000840935970 587930975 /nfs/dbraw/zinc/93/09/75/587930975.db2.gz CVJZWXTWJIYGEV-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)nn1 ZINC000840935970 587930977 /nfs/dbraw/zinc/93/09/77/587930977.db2.gz CVJZWXTWJIYGEV-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC1CC(F)(F)C1 ZINC000842025837 587990103 /nfs/dbraw/zinc/99/01/03/587990103.db2.gz VNQIDIBGZNDAIS-UHFFFAOYSA-N 1 2 236.262 1.955 20 0 BDADLO CC[C@H](CO[NH+]=C(N)[C@@H](C)OCC(C)C)OC ZINC000842033856 587991563 /nfs/dbraw/zinc/99/15/63/587991563.db2.gz ZXNSQAWHMCRUHE-GHMZBOCLSA-N 1 2 246.351 1.971 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCC(F)(F)C1 ZINC000842035876 587991861 /nfs/dbraw/zinc/99/18/61/587991861.db2.gz FVDMDCLOVCQHCO-HTQZYQBOSA-N 1 2 236.262 1.955 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cncc(C)c1 ZINC000842035941 587992156 /nfs/dbraw/zinc/99/21/56/587992156.db2.gz HWZWPCBCUCFNNE-VIFPVBQESA-N 1 2 223.276 1.423 20 0 BDADLO COc1ncccc1CO[NH+]=C(N)[C@@H](C)OC ZINC000842035898 587992191 /nfs/dbraw/zinc/99/21/91/587992191.db2.gz GJQOJSROSIRCOR-MRVPVSSYSA-N 1 2 239.275 1.124 20 0 BDADLO Cc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000842047228 587993071 /nfs/dbraw/zinc/99/30/71/587993071.db2.gz MPBCRJYFKRGGOV-NSHDSACASA-N 1 2 235.287 1.567 20 0 BDADLO CC[C@@H](COC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC000842080497 587996287 /nfs/dbraw/zinc/99/62/87/587996287.db2.gz PVYSFUHOASASIT-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H](COC(=O)[C@@H]1CCCC[N@H+]1C)OC ZINC000842080497 587996289 /nfs/dbraw/zinc/99/62/89/587996289.db2.gz PVYSFUHOASASIT-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO COc1cc[nH+]cc1CONC(=O)C1CCC1 ZINC000842118052 588002483 /nfs/dbraw/zinc/00/24/83/588002483.db2.gz PPVTXEWOTCUKQA-UHFFFAOYSA-N 1 2 236.271 1.438 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCC[C@@H]1CCOC1 ZINC000842649432 588048655 /nfs/dbraw/zinc/04/86/55/588048655.db2.gz LTARJVOFEJZOMJ-VHSXEESVSA-N 1 2 230.308 1.336 20 0 BDADLO NC(=[NH+]OCCC[C@@H]1CCOC1)[C@H]1CCCO1 ZINC000842650027 588049163 /nfs/dbraw/zinc/04/91/63/588049163.db2.gz IGZAOLVVCIKJPA-GHMZBOCLSA-N 1 2 242.319 1.481 20 0 BDADLO CC(C)CCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842655897 588049823 /nfs/dbraw/zinc/04/98/23/588049823.db2.gz JKURNJQVLBUDKO-LLVKDONJSA-N 1 2 244.335 1.727 20 0 BDADLO CC(C)CCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842659386 588050052 /nfs/dbraw/zinc/05/00/52/588050052.db2.gz CFTNOBGZZNRXOJ-NSHDSACASA-N 1 2 244.335 1.584 20 0 BDADLO NC(COC[C@@H]1CCCO1)=[NH+]OCC1CC1 ZINC000842655582 588050367 /nfs/dbraw/zinc/05/03/67/588050367.db2.gz GPTJQQNWFVXGFW-JTQLQIEISA-N 1 2 228.292 1.090 20 0 BDADLO COC1(C(=O)OCc2cccc3[nH+]ccn32)CC1 ZINC000842738875 588057770 /nfs/dbraw/zinc/05/77/70/588057770.db2.gz AEZJKQNNFJTYOP-UHFFFAOYSA-N 1 2 246.266 1.557 20 0 BDADLO CCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842887674 588070815 /nfs/dbraw/zinc/07/08/15/588070815.db2.gz UBZJOGLCRHXYGZ-UHFFFAOYSA-N 1 2 220.272 1.471 20 0 BDADLO CC[NH2+]Cc1noc(C2(CC)CCOCC2)n1 ZINC000843144396 588083931 /nfs/dbraw/zinc/08/39/31/588083931.db2.gz BJJAZSRORDCQOL-UHFFFAOYSA-N 1 2 239.319 1.637 20 0 BDADLO Nc1ccc(CN2CCCc3n[nH]cc32)c[nH+]1 ZINC000843126449 588084240 /nfs/dbraw/zinc/08/42/40/588084240.db2.gz RZLMETNVGPPBLZ-UHFFFAOYSA-N 1 2 229.287 1.340 20 0 BDADLO CCNCc1noc(C[NH+]2CCC(C)CC2)n1 ZINC000843141565 588085922 /nfs/dbraw/zinc/08/59/22/588085922.db2.gz QAKFFXPFWMLYSM-UHFFFAOYSA-N 1 2 238.335 1.411 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CCO[C@@H](CC)C2)n1 ZINC000843145131 588086713 /nfs/dbraw/zinc/08/67/13/588086713.db2.gz UVPGJLBNSHCQIO-UWVGGRQHSA-N 1 2 239.319 1.852 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@@H]2CC[C@H](C)O2)n1 ZINC000843144890 588087141 /nfs/dbraw/zinc/08/71/41/588087141.db2.gz NDFHYNOPKFUPAS-UWVGGRQHSA-N 1 2 239.319 1.679 20 0 BDADLO O=C(Nc1n[nH]c2ccccc21)[C@@H]1CSC[NH2+]1 ZINC000843359708 588103933 /nfs/dbraw/zinc/10/39/33/588103933.db2.gz WECILMMMXQGZRE-VIFPVBQESA-N 1 2 248.311 1.164 20 0 BDADLO O=C(NC1=[NH+]CCS1)C1CC2(CCC2)C1 ZINC000843525380 588119755 /nfs/dbraw/zinc/11/97/55/588119755.db2.gz VHEGOVUBYUYXHH-UHFFFAOYSA-N 1 2 224.329 1.786 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(F)CC2)C1 ZINC000843570512 588124901 /nfs/dbraw/zinc/12/49/01/588124901.db2.gz ICEZNSHHOROWHM-SECBINFHSA-N 1 2 237.278 1.238 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1(F)CC1 ZINC000843597360 588128000 /nfs/dbraw/zinc/12/80/00/588128000.db2.gz HFJPHTBBIGGMOB-UHFFFAOYSA-N 1 2 219.219 1.775 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)C1(F)CC1 ZINC000843756970 588137972 /nfs/dbraw/zinc/13/79/72/588137972.db2.gz UBGXKDACAKAZDV-UHFFFAOYSA-N 1 2 233.246 1.453 20 0 BDADLO Cc1nc(N)c(CNC(=O)C=C2CCC2)c[nH+]1 ZINC000843883659 588147269 /nfs/dbraw/zinc/14/72/69/588147269.db2.gz IWHADTPNFQFVBJ-UHFFFAOYSA-N 1 2 232.287 1.094 20 0 BDADLO CCON(C(=O)CCn1cc[nH+]c1)C(C)C ZINC000844076750 588158551 /nfs/dbraw/zinc/15/85/51/588158551.db2.gz BCXBTKRJKNTWLS-UHFFFAOYSA-N 1 2 225.292 1.462 20 0 BDADLO C[C@H](CC(=O)OCc1cccnc1)n1cc[nH+]c1 ZINC000844272610 588179101 /nfs/dbraw/zinc/17/91/01/588179101.db2.gz ALENALUDKQMFKW-LLVKDONJSA-N 1 2 245.282 1.973 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C(C)COC ZINC000844395549 588189438 /nfs/dbraw/zinc/18/94/38/588189438.db2.gz MNMRQJZRXHBMAI-YFHOEESVSA-N 1 2 234.299 1.597 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844446349 588194489 /nfs/dbraw/zinc/19/44/89/588194489.db2.gz COFXEFZYVNHCKF-OCAPTIKFSA-N 1 2 243.257 1.890 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844446349 588194492 /nfs/dbraw/zinc/19/44/92/588194492.db2.gz COFXEFZYVNHCKF-OCAPTIKFSA-N 1 2 243.257 1.890 20 0 BDADLO CCCC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283502 588225816 /nfs/dbraw/zinc/22/58/16/588225816.db2.gz XCQHKDMMOJMUSO-SNVBAGLBSA-N 1 2 238.287 1.747 20 0 BDADLO CO[C@@H](C)CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845478269 588229991 /nfs/dbraw/zinc/22/99/91/588229991.db2.gz ZPABADPFEKRADY-MNOVXSKESA-N 1 2 240.303 1.802 20 0 BDADLO Cc1c[nH]nc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846012460 588253345 /nfs/dbraw/zinc/25/33/45/588253345.db2.gz BOCIFPSDFDUXLT-SECBINFHSA-N 1 2 233.275 1.504 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000846043235 588254607 /nfs/dbraw/zinc/25/46/07/588254607.db2.gz JNHNPDAACILMCG-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000846043235 588254608 /nfs/dbraw/zinc/25/46/08/588254608.db2.gz JNHNPDAACILMCG-CMPLNLGQSA-N 1 2 221.304 1.476 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000846086268 588256020 /nfs/dbraw/zinc/25/60/20/588256020.db2.gz NHLGOPRHSZYSJW-PWSUYJOCSA-N 1 2 240.347 1.636 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCCCC[C@H]1C ZINC000846089998 588256149 /nfs/dbraw/zinc/25/61/49/588256149.db2.gz BHNSMVCIKJGNTI-MNOVXSKESA-N 1 2 228.336 1.613 20 0 BDADLO CCCC[C@@H](C)[NH2+]CC(=O)NOCC ZINC000846090963 588256218 /nfs/dbraw/zinc/25/62/18/588256218.db2.gz GVBAVVPALJHRQF-SECBINFHSA-N 1 2 202.298 1.222 20 0 BDADLO OC[C@H](CCF)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000846208669 588260131 /nfs/dbraw/zinc/26/01/31/588260131.db2.gz KNLLDNARDLSANA-WPRPVWTQSA-N 1 2 227.283 1.097 20 0 BDADLO CC[C@@H](C)CONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846213495 588260204 /nfs/dbraw/zinc/26/02/04/588260204.db2.gz PLRWPMGQFRDDRI-GHMZBOCLSA-N 1 2 239.319 1.928 20 0 BDADLO CO[C@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244917 588262422 /nfs/dbraw/zinc/26/24/22/588262422.db2.gz AOFLMWPOMCZILV-MRVPVSSYSA-N 1 2 225.292 1.186 20 0 BDADLO CC(C)=CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244095 588262505 /nfs/dbraw/zinc/26/25/05/588262505.db2.gz LFFMLRIHXSMHGX-UHFFFAOYSA-N 1 2 207.277 1.727 20 0 BDADLO CO[C@@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244919 588262686 /nfs/dbraw/zinc/26/26/86/588262686.db2.gz AOFLMWPOMCZILV-QMMMGPOBSA-N 1 2 225.292 1.186 20 0 BDADLO C[C@@H](Cn1cncn1)Nc1ccc([NH+](C)C)cc1 ZINC000846747394 588284559 /nfs/dbraw/zinc/28/45/59/588284559.db2.gz HGHUGAFSGBFXAB-NSHDSACASA-N 1 2 245.330 1.845 20 0 BDADLO COCCOC[C@H](C)Nc1c[nH+]cc(C)c1 ZINC000846751413 588285241 /nfs/dbraw/zinc/28/52/41/588285241.db2.gz STJLCYDHSBPVBQ-NSHDSACASA-N 1 2 224.304 1.853 20 0 BDADLO C[C@H]1C[N@H+](CC2(Br)CC2)CCO1 ZINC000846761736 588286418 /nfs/dbraw/zinc/28/64/18/588286418.db2.gz XKNCEUAUHYOJDI-QMMMGPOBSA-N 1 2 234.137 1.635 20 0 BDADLO C[C@H]1C[N@@H+](CC2(Br)CC2)CCO1 ZINC000846761736 588286419 /nfs/dbraw/zinc/28/64/19/588286419.db2.gz XKNCEUAUHYOJDI-QMMMGPOBSA-N 1 2 234.137 1.635 20 0 BDADLO c1cc([C@@H]2CCC[N@@H+](Cc3cnsn3)C2)n[nH]1 ZINC000846775699 588287762 /nfs/dbraw/zinc/28/77/62/588287762.db2.gz AXUDUISGNZUUJF-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO c1cc([C@@H]2CCC[N@H+](Cc3cnsn3)C2)n[nH]1 ZINC000846775699 588287763 /nfs/dbraw/zinc/28/77/63/588287763.db2.gz AXUDUISGNZUUJF-SECBINFHSA-N 1 2 249.343 1.641 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846843538 588292735 /nfs/dbraw/zinc/29/27/35/588292735.db2.gz RIIZLBUMFMOUCD-GFCCVEGCSA-N 1 2 249.339 1.751 20 0 BDADLO c1nsnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000846859928 588293805 /nfs/dbraw/zinc/29/38/05/588293805.db2.gz YRGAWSKXTOFGHD-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO c1nsnc1C[N@H+]1CCCC2(CC2)C1 ZINC000846859928 588293806 /nfs/dbraw/zinc/29/38/06/588293806.db2.gz YRGAWSKXTOFGHD-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnsn2)CC[C@@H]1C ZINC000846870989 588294380 /nfs/dbraw/zinc/29/43/80/588294380.db2.gz QWEHCZNQOWHODM-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnsn2)CC[C@@H]1C ZINC000846870989 588294381 /nfs/dbraw/zinc/29/43/81/588294381.db2.gz QWEHCZNQOWHODM-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnsn2)CC[C@H]1C ZINC000846870988 588294578 /nfs/dbraw/zinc/29/45/78/588294578.db2.gz QWEHCZNQOWHODM-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnsn2)CC[C@H]1C ZINC000846870988 588294579 /nfs/dbraw/zinc/29/45/79/588294579.db2.gz QWEHCZNQOWHODM-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cnc(Cl)c(F)c1 ZINC000846874247 588294864 /nfs/dbraw/zinc/29/48/64/588294864.db2.gz XNIDCTBFTDSHPH-UHFFFAOYSA-N 1 2 245.685 1.181 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cnc(Cl)c(F)c1 ZINC000846874247 588294865 /nfs/dbraw/zinc/29/48/65/588294865.db2.gz XNIDCTBFTDSHPH-UHFFFAOYSA-N 1 2 245.685 1.181 20 0 BDADLO Cc1c(C[N@@H+]2CCN(C)C(C)(C)C2)cnn1C ZINC000846890384 588295460 /nfs/dbraw/zinc/29/54/60/588295460.db2.gz HJTPPMROFPGSNC-UHFFFAOYSA-N 1 2 236.363 1.255 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000846911237 588296395 /nfs/dbraw/zinc/29/63/95/588296395.db2.gz PVVQMVDGSZVDMP-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000846911237 588296396 /nfs/dbraw/zinc/29/63/96/588296396.db2.gz PVVQMVDGSZVDMP-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO CC(=O)C1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000846937397 588297402 /nfs/dbraw/zinc/29/74/02/588297402.db2.gz FUNZOGBELNSDEP-MRVPVSSYSA-N 1 2 236.319 1.475 20 0 BDADLO CC(=O)C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000846936109 588297602 /nfs/dbraw/zinc/29/76/02/588297602.db2.gz BRMVXJVAZTTZAU-UHFFFAOYSA-N 1 2 247.342 1.630 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000846960127 588298540 /nfs/dbraw/zinc/29/85/40/588298540.db2.gz MHFAOAQVYRAYSJ-LPEHRKFASA-N 1 2 229.320 1.077 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2cnsn2)cn1 ZINC000846971223 588299214 /nfs/dbraw/zinc/29/92/14/588299214.db2.gz SSIFZQYLPABNPH-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847162714 588308251 /nfs/dbraw/zinc/30/82/51/588308251.db2.gz NGWBNJPOGMKLQN-UWVGGRQHSA-N 1 2 221.304 1.505 20 0 BDADLO CON(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000847312319 588310609 /nfs/dbraw/zinc/31/06/09/588310609.db2.gz KRDZYMWTVYTAIG-UHFFFAOYSA-N 1 2 219.244 1.276 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@H]1CCOC1 ZINC000106936786 588316849 /nfs/dbraw/zinc/31/68/49/588316849.db2.gz CBTPYOYFKXAAQJ-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@H]1CCOC1 ZINC000106936786 588316850 /nfs/dbraw/zinc/31/68/50/588316850.db2.gz CBTPYOYFKXAAQJ-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1CCC1 ZINC000847562051 588317044 /nfs/dbraw/zinc/31/70/44/588317044.db2.gz HKAQJKLKLXPXOK-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1CCC1 ZINC000847562051 588317046 /nfs/dbraw/zinc/31/70/46/588317046.db2.gz HKAQJKLKLXPXOK-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)CONC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847603160 588317434 /nfs/dbraw/zinc/31/74/34/588317434.db2.gz HPYXMSUVCCDPOV-VIFPVBQESA-N 1 2 225.292 1.292 20 0 BDADLO CC(C)CONC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847603160 588317436 /nfs/dbraw/zinc/31/74/36/588317436.db2.gz HPYXMSUVCCDPOV-VIFPVBQESA-N 1 2 225.292 1.292 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOCCC1CC1 ZINC000848129290 588359281 /nfs/dbraw/zinc/35/92/81/588359281.db2.gz QGXYTEDONODEMA-VIFPVBQESA-N 1 2 237.303 1.436 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOCCC1CC1 ZINC000848129290 588359282 /nfs/dbraw/zinc/35/92/82/588359282.db2.gz QGXYTEDONODEMA-VIFPVBQESA-N 1 2 237.303 1.436 20 0 BDADLO CCC(CC)(CO)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000848233918 588365958 /nfs/dbraw/zinc/36/59/58/588365958.db2.gz TXJCGYULEPPDIF-QMMMGPOBSA-N 1 2 244.360 1.393 20 0 BDADLO C[C@@H](NC(=O)CCCn1cccn1)c1[nH]cc[nH+]1 ZINC000848387212 588375966 /nfs/dbraw/zinc/37/59/66/588375966.db2.gz OHTNALZMSAOKIP-SNVBAGLBSA-N 1 2 247.302 1.264 20 0 BDADLO Cc1cc(NC[C@@H]2CN(C3CC3)C(=O)O2)nc[nH+]1 ZINC000848792452 588413604 /nfs/dbraw/zinc/41/36/04/588413604.db2.gz CPWBAZCLYLKIQL-SNVBAGLBSA-N 1 2 248.286 1.180 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000848887286 588417124 /nfs/dbraw/zinc/41/71/24/588417124.db2.gz SCYJEVAOJYXIKU-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000848887286 588417126 /nfs/dbraw/zinc/41/71/26/588417126.db2.gz SCYJEVAOJYXIKU-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO Cn1c(Cl)ncc1C[N@H+]1CC=CCC1 ZINC000848901551 588418341 /nfs/dbraw/zinc/41/83/41/588418341.db2.gz VMHUDTYWCWSVJZ-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO Cn1c(Cl)ncc1C[N@@H+]1CC=CCC1 ZINC000848901551 588418342 /nfs/dbraw/zinc/41/83/42/588418342.db2.gz VMHUDTYWCWSVJZ-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cnc(Cl)n1C ZINC000848914067 588420009 /nfs/dbraw/zinc/42/00/09/588420009.db2.gz HVUXELDENDDVNP-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cnc(Cl)n1C ZINC000848914067 588420010 /nfs/dbraw/zinc/42/00/10/588420010.db2.gz HVUXELDENDDVNP-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO C[Si](C)(C)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000849135881 588453648 /nfs/dbraw/zinc/45/36/48/588453648.db2.gz KIXYOPPOMOAEMM-UHFFFAOYSA-N 1 2 235.367 1.400 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)NCC1CC1 ZINC000849255426 588465704 /nfs/dbraw/zinc/46/57/04/588465704.db2.gz PGHKBGQVUIECTO-VIFPVBQESA-N 1 2 238.360 1.146 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOC(F)F)o1 ZINC000849321751 588472146 /nfs/dbraw/zinc/47/21/46/588472146.db2.gz ABZVBYJSMQSZDQ-RXMQYKEDSA-N 1 2 221.207 1.268 20 0 BDADLO CCc1noc(Cc2c[nH+]ccc2C)n1 ZINC000849338508 588473470 /nfs/dbraw/zinc/47/34/70/588473470.db2.gz NSBLAQZUVFWMQW-UHFFFAOYSA-N 1 2 203.245 1.926 20 0 BDADLO CSC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000849987113 588512387 /nfs/dbraw/zinc/51/23/87/588512387.db2.gz VGICBVSGSKAVLE-UHFFFAOYSA-N 1 2 228.317 1.568 20 0 BDADLO CN(C)c1cc(COC(=O)CCCF)cc[nH+]1 ZINC000850194742 588525212 /nfs/dbraw/zinc/52/52/12/588525212.db2.gz FOAVQLCVQBJLCW-UHFFFAOYSA-N 1 2 240.278 1.941 20 0 BDADLO COc1cc[nH+]cc1COC(=O)CCCF ZINC000850194502 588526424 /nfs/dbraw/zinc/52/64/24/588526424.db2.gz MSIFFBNTKOJFKL-UHFFFAOYSA-N 1 2 227.235 1.883 20 0 BDADLO O=C(CCCF)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000850195643 588526715 /nfs/dbraw/zinc/52/67/15/588526715.db2.gz WSQSWJAZQQZJPE-PHIMTYICSA-N 1 2 245.294 1.143 20 0 BDADLO O=C(CCCF)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000850195643 588526717 /nfs/dbraw/zinc/52/67/17/588526717.db2.gz WSQSWJAZQQZJPE-PHIMTYICSA-N 1 2 245.294 1.143 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccnn2CC2CC2)n1 ZINC000850232141 588530461 /nfs/dbraw/zinc/53/04/61/588530461.db2.gz VRXZSRTXVKAWGI-UHFFFAOYSA-N 1 2 245.330 1.316 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850260755 588532561 /nfs/dbraw/zinc/53/25/61/588532561.db2.gz XDEXIZBSINILNZ-IAZYJMLFSA-N 1 2 249.266 1.026 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccnc2Cl)c1 ZINC000850351634 588538209 /nfs/dbraw/zinc/53/82/09/588538209.db2.gz GFUBEDFMJWOAHP-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO Cn1c[nH+]c(CNCc2cccnc2Cl)c1 ZINC000850351634 588538211 /nfs/dbraw/zinc/53/82/11/588538211.db2.gz GFUBEDFMJWOAHP-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)n1 ZINC000850369860 588541236 /nfs/dbraw/zinc/54/12/36/588541236.db2.gz BSZIPGLAVWRQHY-UONOGXRCSA-N 1 2 243.310 1.688 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000850420657 588545427 /nfs/dbraw/zinc/54/54/27/588545427.db2.gz QJYIBTSOWQEUOE-GXFFZTMASA-N 1 2 246.314 1.027 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850998803 588582848 /nfs/dbraw/zinc/58/28/48/588582848.db2.gz UVXONSNRAOKHDB-QCNOEVLYSA-N 1 2 241.306 1.620 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850998803 588582849 /nfs/dbraw/zinc/58/28/49/588582849.db2.gz UVXONSNRAOKHDB-QCNOEVLYSA-N 1 2 241.306 1.620 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)C1(CO)CC1 ZINC000852043767 588657485 /nfs/dbraw/zinc/65/74/85/588657485.db2.gz IORQBDLXVUQLTP-UHFFFAOYSA-N 1 2 210.104 1.762 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)O1 ZINC000851731947 588619637 /nfs/dbraw/zinc/61/96/37/588619637.db2.gz DQWKOVHZELIXJT-WDEREUQCSA-N 1 2 249.314 1.295 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)O1 ZINC000851731947 588619638 /nfs/dbraw/zinc/61/96/38/588619638.db2.gz DQWKOVHZELIXJT-WDEREUQCSA-N 1 2 249.314 1.295 20 0 BDADLO CCC[N@H+](CC=C(Cl)Cl)CC(=O)NC ZINC000851733247 588619869 /nfs/dbraw/zinc/61/98/69/588619869.db2.gz OXJFPNOTPLFVKH-UHFFFAOYSA-N 1 2 239.146 1.763 20 0 BDADLO CCC[N@@H+](CC=C(Cl)Cl)CC(=O)NC ZINC000851733247 588619870 /nfs/dbraw/zinc/61/98/70/588619870.db2.gz OXJFPNOTPLFVKH-UHFFFAOYSA-N 1 2 239.146 1.763 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1COC(C)(C)O1 ZINC000851737897 588620875 /nfs/dbraw/zinc/62/08/75/588620875.db2.gz QMLFDLGMRAROEY-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1COC(C)(C)O1 ZINC000851737897 588620876 /nfs/dbraw/zinc/62/08/76/588620876.db2.gz QMLFDLGMRAROEY-SNVBAGLBSA-N 1 2 245.319 1.023 20 0 BDADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnon2)C1(C)C ZINC000851782406 588627895 /nfs/dbraw/zinc/62/78/95/588627895.db2.gz SBIUGFPEWMKGCC-WDEREUQCSA-N 1 2 239.319 1.705 20 0 BDADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnon2)C1(C)C ZINC000851782406 588627896 /nfs/dbraw/zinc/62/78/96/588627896.db2.gz SBIUGFPEWMKGCC-WDEREUQCSA-N 1 2 239.319 1.705 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1cnon1 ZINC000851816534 588633264 /nfs/dbraw/zinc/63/32/64/588633264.db2.gz IHSXCCRSURNFDR-UHFFFAOYSA-N 1 2 213.281 1.317 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1cnon1 ZINC000851816534 588633265 /nfs/dbraw/zinc/63/32/65/588633265.db2.gz IHSXCCRSURNFDR-UHFFFAOYSA-N 1 2 213.281 1.317 20 0 BDADLO COC(=O)C[N@H+](C[C@@H]1COC(C)(C)O1)C(C)C ZINC000851826774 588633730 /nfs/dbraw/zinc/63/37/30/588633730.db2.gz XGFSHZLTFDYRPZ-SNVBAGLBSA-N 1 2 245.319 1.021 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H]1COC(C)(C)O1)C(C)C ZINC000851826774 588633731 /nfs/dbraw/zinc/63/37/31/588633731.db2.gz XGFSHZLTFDYRPZ-SNVBAGLBSA-N 1 2 245.319 1.021 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccccc1F ZINC000851874625 588638131 /nfs/dbraw/zinc/63/81/31/588638131.db2.gz IIELOPHJMKKEHL-GFCCVEGCSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccccc1F ZINC000851874625 588638132 /nfs/dbraw/zinc/63/81/32/588638132.db2.gz IIELOPHJMKKEHL-GFCCVEGCSA-N 1 2 249.289 1.714 20 0 BDADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)nn1 ZINC000851877477 588638679 /nfs/dbraw/zinc/63/86/79/588638679.db2.gz IOTKZGXDTFOSPR-KOLCDFICSA-N 1 2 220.320 1.627 20 0 BDADLO CC(C)(C)n1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)nn1 ZINC000851877477 588638680 /nfs/dbraw/zinc/63/86/80/588638680.db2.gz IOTKZGXDTFOSPR-KOLCDFICSA-N 1 2 220.320 1.627 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1cccc(F)n1 ZINC000851883702 588639394 /nfs/dbraw/zinc/63/93/94/588639394.db2.gz IHSLRZFWQFUEFQ-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1cccc(F)n1 ZINC000851883702 588639395 /nfs/dbraw/zinc/63/93/95/588639395.db2.gz IHSLRZFWQFUEFQ-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO Cc1ccc(C(C)(C)[NH2+]Cc2cnon2)cn1 ZINC000851936982 588645793 /nfs/dbraw/zinc/64/57/93/588645793.db2.gz ZAOPLFYJYAJNJY-UHFFFAOYSA-N 1 2 232.287 1.798 20 0 BDADLO C[C@@H](O)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852020071 588655664 /nfs/dbraw/zinc/65/56/64/588655664.db2.gz PYNQEYKUPZYEDA-SECBINFHSA-N 1 2 241.718 1.224 20 0 BDADLO OCCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852020980 588656069 /nfs/dbraw/zinc/65/60/69/588656069.db2.gz SJSSNHMOFQIIKQ-UHFFFAOYSA-N 1 2 241.718 1.226 20 0 BDADLO Cn1nccc1C1=CC[N@H+](Cc2cnon2)CC1 ZINC000852037961 588656599 /nfs/dbraw/zinc/65/65/99/588656599.db2.gz DWLRUBAOCIQAIQ-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO Cn1nccc1C1=CC[N@@H+](Cc2cnon2)CC1 ZINC000852037961 588656600 /nfs/dbraw/zinc/65/66/00/588656600.db2.gz DWLRUBAOCIQAIQ-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)C1(CO)CC1 ZINC000852043767 588657484 /nfs/dbraw/zinc/65/74/84/588657484.db2.gz IORQBDLXVUQLTP-UHFFFAOYSA-N 1 2 210.104 1.762 20 0 BDADLO CC1(C)C[N@H+](Cc2cnon2)[C@@H]1[C@H]1CCCO1 ZINC000852055782 588658381 /nfs/dbraw/zinc/65/83/81/588658381.db2.gz XBWCRYXBRKVSCS-GHMZBOCLSA-N 1 2 237.303 1.459 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnon2)[C@@H]1[C@H]1CCCO1 ZINC000852055782 588658382 /nfs/dbraw/zinc/65/83/82/588658382.db2.gz XBWCRYXBRKVSCS-GHMZBOCLSA-N 1 2 237.303 1.459 20 0 BDADLO C[C@]1([NH2+]CCOCc2ccccc2)CCOC1=O ZINC000852062678 588658422 /nfs/dbraw/zinc/65/84/22/588658422.db2.gz KEEUHLJCVKRULB-AWEZNQCLSA-N 1 2 249.310 1.498 20 0 BDADLO Clc1cccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000852060941 588658513 /nfs/dbraw/zinc/65/85/13/588658513.db2.gz LUPLXAIDQLPSKI-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@](O)(C(F)F)C2)s1 ZINC000852121346 588665081 /nfs/dbraw/zinc/66/50/81/588665081.db2.gz OKINMEFVVSUVGO-SECBINFHSA-N 1 2 249.286 1.048 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@](O)(C(F)F)C2)s1 ZINC000852121346 588665082 /nfs/dbraw/zinc/66/50/82/588665082.db2.gz OKINMEFVVSUVGO-SECBINFHSA-N 1 2 249.286 1.048 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000852233446 588674233 /nfs/dbraw/zinc/67/42/33/588674233.db2.gz RUUGJAHODVBGKT-VIFPVBQESA-N 1 2 247.302 1.640 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000852233446 588674234 /nfs/dbraw/zinc/67/42/34/588674234.db2.gz RUUGJAHODVBGKT-VIFPVBQESA-N 1 2 247.302 1.640 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000852270826 588675199 /nfs/dbraw/zinc/67/51/99/588675199.db2.gz SNMKCXPHKMETNF-VHSXEESVSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000852270826 588675200 /nfs/dbraw/zinc/67/52/00/588675200.db2.gz SNMKCXPHKMETNF-VHSXEESVSA-N 1 2 236.319 1.740 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)c1ccccc1F ZINC000852284447 588676056 /nfs/dbraw/zinc/67/60/56/588676056.db2.gz MDNUEBYXBMEUCK-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)c1ccccc1F ZINC000852284447 588676057 /nfs/dbraw/zinc/67/60/57/588676057.db2.gz MDNUEBYXBMEUCK-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccccc1F ZINC000852284447 588676058 /nfs/dbraw/zinc/67/60/58/588676058.db2.gz MDNUEBYXBMEUCK-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccccc1F ZINC000852284447 588676059 /nfs/dbraw/zinc/67/60/59/588676059.db2.gz MDNUEBYXBMEUCK-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)n1 ZINC000852322658 588678215 /nfs/dbraw/zinc/67/82/15/588678215.db2.gz OYBJUBUFRAEVQK-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@](C)(C3CC3)C2)n1 ZINC000852322658 588678216 /nfs/dbraw/zinc/67/82/16/588678216.db2.gz OYBJUBUFRAEVQK-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnon1)CC2 ZINC000852405071 588680991 /nfs/dbraw/zinc/68/09/91/588680991.db2.gz YQIGWSUMCVIXGX-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cc1cnon1)CC2 ZINC000852405071 588680992 /nfs/dbraw/zinc/68/09/92/588680992.db2.gz YQIGWSUMCVIXGX-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO COCC[N@H+](CCF)Cc1cccc(F)n1 ZINC000852480246 588683706 /nfs/dbraw/zinc/68/37/06/588683706.db2.gz RXSXPJVNRDYSQV-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COCC[N@@H+](CCF)Cc1cccc(F)n1 ZINC000852480246 588683707 /nfs/dbraw/zinc/68/37/07/588683707.db2.gz RXSXPJVNRDYSQV-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COCC[N@H+](CCF)Cc1cc(C)no1 ZINC000852480437 588684005 /nfs/dbraw/zinc/68/40/05/588684005.db2.gz WHDDQHPHPIGZTP-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO COCC[N@@H+](CCF)Cc1cc(C)no1 ZINC000852480437 588684006 /nfs/dbraw/zinc/68/40/06/588684006.db2.gz WHDDQHPHPIGZTP-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO COCC[N@H+](CCF)Cc1cnn(C)c1C ZINC000852483364 588684478 /nfs/dbraw/zinc/68/44/78/588684478.db2.gz HDGOOCSGLGJHTN-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnn(C)c1C ZINC000852483364 588684479 /nfs/dbraw/zinc/68/44/79/588684479.db2.gz HDGOOCSGLGJHTN-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(OC)nc1 ZINC000852483241 588684686 /nfs/dbraw/zinc/68/46/86/588684686.db2.gz DNZRVSBBPBIEDH-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(OC)nc1 ZINC000852483241 588684687 /nfs/dbraw/zinc/68/46/87/588684687.db2.gz DNZRVSBBPBIEDH-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1ncc(C)o1 ZINC000852569901 588691329 /nfs/dbraw/zinc/69/13/29/588691329.db2.gz HFNZMPMBPJNUBM-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1ncc(C)o1 ZINC000852569901 588691330 /nfs/dbraw/zinc/69/13/30/588691330.db2.gz HFNZMPMBPJNUBM-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnsn2)C[C@H](C)O1 ZINC000852588578 588692320 /nfs/dbraw/zinc/69/23/20/588692320.db2.gz VIMIXZUDBOYEKC-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)C[C@H](C)O1 ZINC000852588578 588692321 /nfs/dbraw/zinc/69/23/21/588692321.db2.gz VIMIXZUDBOYEKC-BDAKNGLRSA-N 1 2 227.333 1.537 20 0 BDADLO c1nonc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852649574 588694041 /nfs/dbraw/zinc/69/40/41/588694041.db2.gz PHFAXLOVYHEZJG-UHFFFAOYSA-N 1 2 249.314 1.461 20 0 BDADLO c1nonc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852649574 588694042 /nfs/dbraw/zinc/69/40/42/588694042.db2.gz PHFAXLOVYHEZJG-UHFFFAOYSA-N 1 2 249.314 1.461 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C12CC(C1)C2 ZINC000860719465 589116127 /nfs/dbraw/zinc/11/61/27/589116127.db2.gz WBJSODOLJRMJCI-YZRBJQDESA-N 1 2 227.279 1.374 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C12CC(C1)C2 ZINC000860719465 589116128 /nfs/dbraw/zinc/11/61/28/589116128.db2.gz WBJSODOLJRMJCI-YZRBJQDESA-N 1 2 227.279 1.374 20 0 BDADLO CCC/C=C/C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861759110 589176403 /nfs/dbraw/zinc/17/64/03/589176403.db2.gz GKXYFBXYUDYWRP-SNAWJCMRSA-N 1 2 219.288 1.651 20 0 BDADLO CCC/C=C/C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861759110 589176404 /nfs/dbraw/zinc/17/64/04/589176404.db2.gz GKXYFBXYUDYWRP-SNAWJCMRSA-N 1 2 219.288 1.651 20 0 BDADLO O=C(/C=C/[C@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000861761870 589177079 /nfs/dbraw/zinc/17/70/79/589177079.db2.gz ASZOUJRANZRQGH-HMDXOVGESA-N 1 2 247.298 1.030 20 0 BDADLO O=C(/C=C/[C@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000861761870 589177080 /nfs/dbraw/zinc/17/70/80/589177080.db2.gz ASZOUJRANZRQGH-HMDXOVGESA-N 1 2 247.298 1.030 20 0 BDADLO O=C(C(F)=C1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000861763014 589177259 /nfs/dbraw/zinc/17/72/59/589177259.db2.gz JHJKPEXEZRRQMG-UHFFFAOYSA-N 1 2 235.262 1.702 20 0 BDADLO O=C(C(F)=C1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000861763014 589177260 /nfs/dbraw/zinc/17/72/60/589177260.db2.gz JHJKPEXEZRRQMG-UHFFFAOYSA-N 1 2 235.262 1.702 20 0 BDADLO C/C=C(\C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760375 589177280 /nfs/dbraw/zinc/17/72/80/589177280.db2.gz CABZQGPBUJLHTO-FPYGCLRLSA-N 1 2 205.261 1.261 20 0 BDADLO C/C=C(\C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760375 589177281 /nfs/dbraw/zinc/17/72/81/589177281.db2.gz CABZQGPBUJLHTO-FPYGCLRLSA-N 1 2 205.261 1.261 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C12CC(C1)C2 ZINC000861854888 589180945 /nfs/dbraw/zinc/18/09/45/589180945.db2.gz WLEBPMMDDFOYGA-NBBOBHDQSA-N 1 2 217.272 1.244 20 0 BDADLO Cc1c[nH]c(CN2CC(O)(c3ccccc3)C2)[nH+]1 ZINC000862370130 589204864 /nfs/dbraw/zinc/20/48/64/589204864.db2.gz CUYVSQRRGZAENK-UHFFFAOYSA-N 1 2 243.310 1.422 20 0 BDADLO CCOC(=O)c1cccc(C[N@H+](C)CCF)n1 ZINC000862377968 589206092 /nfs/dbraw/zinc/20/60/92/589206092.db2.gz NMUXYUYUVRMRTK-UHFFFAOYSA-N 1 2 240.278 1.660 20 0 BDADLO CCOC(=O)c1cccc(C[N@@H+](C)CCF)n1 ZINC000862377968 589206094 /nfs/dbraw/zinc/20/60/94/589206094.db2.gz NMUXYUYUVRMRTK-UHFFFAOYSA-N 1 2 240.278 1.660 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCOC3)[nH+]c1C ZINC000862380699 589206367 /nfs/dbraw/zinc/20/63/67/589206367.db2.gz LKTUSOHVRMETON-UHFFFAOYSA-N 1 2 221.304 1.249 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cnc(C3CC3)o2)C1 ZINC000862389446 589207956 /nfs/dbraw/zinc/20/79/56/589207956.db2.gz KBZFPDSCZCOQNJ-UHFFFAOYSA-N 1 2 236.315 1.755 20 0 BDADLO CCC/C(C)=C/C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862973966 589250368 /nfs/dbraw/zinc/25/03/68/589250368.db2.gz XWDMYDDMJHSARI-JATZPVMKSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C(C)=C/C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862973966 589250369 /nfs/dbraw/zinc/25/03/69/589250369.db2.gz XWDMYDDMJHSARI-JATZPVMKSA-N 1 2 240.347 1.180 20 0 BDADLO CCCC[N@H+](CC)Cn1nc(COC)oc1=O ZINC000119229074 589251486 /nfs/dbraw/zinc/25/14/86/589251486.db2.gz RSBYMIJHPOXNQO-UHFFFAOYSA-N 1 2 243.307 1.062 20 0 BDADLO CCCC[N@@H+](CC)Cn1nc(COC)oc1=O ZINC000119229074 589251488 /nfs/dbraw/zinc/25/14/88/589251488.db2.gz RSBYMIJHPOXNQO-UHFFFAOYSA-N 1 2 243.307 1.062 20 0 BDADLO CC1(C(=O)CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000863061876 589253545 /nfs/dbraw/zinc/25/35/45/589253545.db2.gz BYKVKBFGPBUQMV-UHFFFAOYSA-N 1 2 249.314 1.218 20 0 BDADLO O=C(NCCC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119433700 589283546 /nfs/dbraw/zinc/28/35/46/589283546.db2.gz NYJQLURITJLDAC-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1ccc(CCC[N@@H+](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000863651411 589307260 /nfs/dbraw/zinc/30/72/60/589307260.db2.gz HQXSREVDHGHYFD-NSHDSACASA-N 1 2 221.348 1.602 20 0 BDADLO Cc1ccc(CCC[N@H+](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000863651411 589307262 /nfs/dbraw/zinc/30/72/62/589307262.db2.gz HQXSREVDHGHYFD-NSHDSACASA-N 1 2 221.348 1.602 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCC12CC2 ZINC000863775311 589316657 /nfs/dbraw/zinc/31/66/57/589316657.db2.gz JZAGYFOTVXOWID-JTQLQIEISA-N 1 2 233.315 1.649 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C2(CCC2)CO1 ZINC000864059625 589336372 /nfs/dbraw/zinc/33/63/72/589336372.db2.gz MZZMNYDPWCYQMA-SNVBAGLBSA-N 1 2 249.314 1.122 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000864061894 589337086 /nfs/dbraw/zinc/33/70/86/589337086.db2.gz CCVKHIYHFAXBGO-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H]1CC(F)(F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000864082860 589341948 /nfs/dbraw/zinc/34/19/48/589341948.db2.gz SXUVNYZHAGGMKW-MRVPVSSYSA-N 1 2 243.257 1.598 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCCCCCC1 ZINC000864666054 589388545 /nfs/dbraw/zinc/38/85/45/589388545.db2.gz PIZAIVLTOBUSRT-LLVKDONJSA-N 1 2 237.303 1.236 20 0 BDADLO CC[C@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000864851971 589397835 /nfs/dbraw/zinc/39/78/35/589397835.db2.gz XUMDLPYCWNWJAY-GXSJLCMTSA-N 1 2 237.303 1.092 20 0 BDADLO CC[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000864851972 589398042 /nfs/dbraw/zinc/39/80/42/589398042.db2.gz XUMDLPYCWNWJAY-KOLCDFICSA-N 1 2 237.303 1.092 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[C@H]1CCCC2 ZINC000864883376 589399981 /nfs/dbraw/zinc/39/99/81/589399981.db2.gz AIMPAVPESUKQFU-YRGRVCCFSA-N 1 2 247.342 1.968 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000865157659 589411857 /nfs/dbraw/zinc/41/18/57/589411857.db2.gz AGJQAPSONYNPHA-ZWNOBZJWSA-N 1 2 233.315 1.617 20 0 BDADLO CC[C@H](C)NC(=S)N(C)Cc1[nH]cc[nH+]1 ZINC000865261810 589416677 /nfs/dbraw/zinc/41/66/77/589416677.db2.gz CXWMZXZVGCIDKJ-QMMMGPOBSA-N 1 2 226.349 1.515 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2cncnc2)c1 ZINC000865294611 589420528 /nfs/dbraw/zinc/42/05/28/589420528.db2.gz NNNQVYYZOMGOIM-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CC(C)(C)c1cn(CC2(CO)COC2)c[nH+]1 ZINC000865375747 589428054 /nfs/dbraw/zinc/42/80/54/589428054.db2.gz MVCDLINAZGOSNU-UHFFFAOYSA-N 1 2 224.304 1.190 20 0 BDADLO COC(=O)CCNc1cc(CC(C)C)[nH+]cn1 ZINC000865406416 589433458 /nfs/dbraw/zinc/43/34/58/589433458.db2.gz SLSQPPQRVSIVNH-UHFFFAOYSA-N 1 2 237.303 1.650 20 0 BDADLO Cn1cc(C[NH2+]Cc2cn(C3CC3)cn2)cn1 ZINC000865428616 589435460 /nfs/dbraw/zinc/43/54/60/589435460.db2.gz WSXDXYYOICXZIJ-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO COc1cncc(C[NH2+]Cc2ccn(C)n2)c1C ZINC000865515075 589442915 /nfs/dbraw/zinc/44/29/15/589442915.db2.gz JYNWKOHZAUYARM-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO FCC(CF)NCc1cn(C2CC2)c[nH+]1 ZINC000865582498 589448504 /nfs/dbraw/zinc/44/85/04/589448504.db2.gz CYDPHDCJHMLAIN-UHFFFAOYSA-N 1 2 215.247 1.615 20 0 BDADLO C[C@H](O)c1ccc(N[C@H](CO)CC2CC2)[nH+]c1 ZINC000865640464 589453421 /nfs/dbraw/zinc/45/34/21/589453421.db2.gz JBGHKCCBHHQORH-CABZTGNLSA-N 1 2 236.315 1.708 20 0 BDADLO CC/C=C(\F)C(=O)NCCc1[nH]cc[nH+]1 ZINC000865676639 589455066 /nfs/dbraw/zinc/45/50/66/589455066.db2.gz LVWMBKRUDQTIJM-BAQGIRSFSA-N 1 2 211.240 1.332 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn(C)nc1Cl ZINC000865678219 589455819 /nfs/dbraw/zinc/45/58/19/589455819.db2.gz AVFRJKJOKMZLGR-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO C[C@@H](O)c1ccc(N(C)CC2(O)CCC2)[nH+]c1 ZINC000865677810 589455934 /nfs/dbraw/zinc/45/59/34/589455934.db2.gz LIAXIJLULSQRDV-SNVBAGLBSA-N 1 2 236.315 1.486 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000865752975 589458835 /nfs/dbraw/zinc/45/88/35/589458835.db2.gz GWENBAQPMGLKEF-HTQZYQBOSA-N 1 2 248.252 1.647 20 0 BDADLO CCn1ncc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000865752714 589460711 /nfs/dbraw/zinc/46/07/11/589460711.db2.gz ATZIIOXSCUDVBL-HTQZYQBOSA-N 1 2 234.225 1.338 20 0 BDADLO C[C@H](O)c1ccc(NC[C@H]2CCCNC2=O)[nH+]c1 ZINC000865872198 589466261 /nfs/dbraw/zinc/46/62/61/589466261.db2.gz SYPZDOXHFABPIM-GXSJLCMTSA-N 1 2 249.314 1.073 20 0 BDADLO C[C@@H](C(=O)OC1CCCC1)[NH+]1CCSCC1 ZINC000120792926 589466280 /nfs/dbraw/zinc/46/62/80/589466280.db2.gz AAKDTHIKJOEJDQ-JTQLQIEISA-N 1 2 243.372 1.910 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]cn1)C(OC)OC ZINC000865923610 589468633 /nfs/dbraw/zinc/46/86/33/589468633.db2.gz SEIIKHWKUFICTG-VIFPVBQESA-N 1 2 225.292 1.594 20 0 BDADLO C[C@@H](O)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]c1 ZINC000865944002 589469684 /nfs/dbraw/zinc/46/96/84/589469684.db2.gz IRYDKUVQUAFFCW-SUZMYJTESA-N 1 2 234.299 1.096 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866042640 589473585 /nfs/dbraw/zinc/47/35/85/589473585.db2.gz CJEZNMAGHKOUND-STXZSOOUSA-N 1 2 246.310 1.926 20 0 BDADLO Cc1cc[nH+]c(NC[C@H](O)[C@@H](C)O)c1Cl ZINC000866110204 589475340 /nfs/dbraw/zinc/47/53/40/589475340.db2.gz MMBGUJAQASZULQ-SFYZADRCSA-N 1 2 230.695 1.197 20 0 BDADLO O=CN1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000866126985 589477684 /nfs/dbraw/zinc/47/76/84/589477684.db2.gz OCDAUKAQSVXAAZ-UHFFFAOYSA-N 1 2 246.314 1.023 20 0 BDADLO CC1(C)C[C@@H](O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000866227994 589481693 /nfs/dbraw/zinc/48/16/93/589481693.db2.gz YACMAGWQZJVCNZ-LLVKDONJSA-N 1 2 247.342 1.951 20 0 BDADLO CCON(CC)c1cc(-n2cc[nH+]c2)ncn1 ZINC000866306277 589485332 /nfs/dbraw/zinc/48/53/32/589485332.db2.gz CVOXHKABHZYPPN-UHFFFAOYSA-N 1 2 233.275 1.440 20 0 BDADLO OC/C=C\C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866388936 589489444 /nfs/dbraw/zinc/48/94/44/589489444.db2.gz OONYJGMREYKSJW-BOYPOZMQSA-N 1 2 237.274 1.596 20 0 BDADLO C[C@H]([NH2+]Cc1cncn1C)c1cc2n(n1)CCC2 ZINC000866644289 589507295 /nfs/dbraw/zinc/50/72/95/589507295.db2.gz STJCMCZRLOFGDH-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccc(F)nc1 ZINC000121767203 589531714 /nfs/dbraw/zinc/53/17/14/589531714.db2.gz RHAZZKNLTMYFGL-UHFFFAOYSA-N 1 2 235.222 1.266 20 0 BDADLO CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000867751564 589533208 /nfs/dbraw/zinc/53/32/08/589533208.db2.gz VBAGABFGTOIGOF-GFCCVEGCSA-N 1 2 231.299 1.413 20 0 BDADLO CC1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000867833455 589536194 /nfs/dbraw/zinc/53/61/94/589536194.db2.gz DVRPVHKGRTWXST-UHFFFAOYSA-N 1 2 247.273 1.494 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC2(CCC2)CC1 ZINC000868296322 589554039 /nfs/dbraw/zinc/55/40/39/589554039.db2.gz NMZAZGGSWPOMDC-NSHDSACASA-N 1 2 249.314 1.236 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C(F)F)CCC1 ZINC000868413087 589557913 /nfs/dbraw/zinc/55/79/13/589557913.db2.gz NSKUDEPOTMIQKH-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000868505954 589561683 /nfs/dbraw/zinc/56/16/83/589561683.db2.gz GBPUUZHNXXJLNE-UDGZVJEDSA-N 1 2 211.240 1.850 20 0 BDADLO CCC=C(F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000868505954 589561684 /nfs/dbraw/zinc/56/16/84/589561684.db2.gz GBPUUZHNXXJLNE-UDGZVJEDSA-N 1 2 211.240 1.850 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/SC ZINC000868677389 589572678 /nfs/dbraw/zinc/57/26/78/589572678.db2.gz KOVFSBFAGNJKKN-QRJSTWQJSA-N 1 2 239.344 1.957 20 0 BDADLO CC/C=C(\F)C(=O)NCCc1cn(C)c[nH+]1 ZINC000868838604 589579131 /nfs/dbraw/zinc/57/91/31/589579131.db2.gz KOXXAGQLHLKPKR-WMZJFQQLSA-N 1 2 225.267 1.342 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868878420 589581317 /nfs/dbraw/zinc/58/13/17/589581317.db2.gz DYSBTWOASIRWFA-WCBMZHEXSA-N 1 2 237.303 1.090 20 0 BDADLO CCCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)C ZINC000869186870 589592098 /nfs/dbraw/zinc/59/20/98/589592098.db2.gz JUHCJFWERRLDJH-SNVBAGLBSA-N 1 2 225.292 1.090 20 0 BDADLO Cc1cnc(F)c(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000869223911 589592878 /nfs/dbraw/zinc/59/28/78/589592878.db2.gz LGBVMNVFUKIYPD-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO Cc1cnc(F)c(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000869223911 589592879 /nfs/dbraw/zinc/59/28/79/589592879.db2.gz LGBVMNVFUKIYPD-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000869301645 589596988 /nfs/dbraw/zinc/59/69/88/589596988.db2.gz JFSJLEKJSSZXMC-IYKVGLELSA-N 1 2 247.342 1.889 20 0 BDADLO CCC(C)(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000870291932 589655821 /nfs/dbraw/zinc/65/58/21/589655821.db2.gz QKMLWCGJAAJUQS-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)C(=O)CNc1cccc[nH+]1 ZINC000889324185 589798919 /nfs/dbraw/zinc/79/89/19/589798919.db2.gz GPJGFKCOADUPBW-MNOVXSKESA-N 1 2 249.314 1.129 20 0 BDADLO NC(COC1CCC1)=[NH+]OCCCCF ZINC000871778323 589813677 /nfs/dbraw/zinc/81/36/77/589813677.db2.gz CLIGXFODLHUSMG-UHFFFAOYSA-N 1 2 218.272 1.804 20 0 BDADLO CC[C@H]([NH2+]CC1(OC(C)C)CCC1)C(=O)OC ZINC000871935938 589834004 /nfs/dbraw/zinc/83/40/04/589834004.db2.gz VCEFODNAMDXCMU-NSHDSACASA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H](Cn1c[nH+]c(C(C)(C)C)c1)S(C)(=O)=O ZINC000871989578 589854809 /nfs/dbraw/zinc/85/48/09/589854809.db2.gz PFLQDCFRLHFFPV-VIFPVBQESA-N 1 2 244.360 1.614 20 0 BDADLO CCOCC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989156 589854968 /nfs/dbraw/zinc/85/49/68/589854968.db2.gz KVKXGURLRPBMAR-NSHDSACASA-N 1 2 240.347 1.968 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000872129973 589877768 /nfs/dbraw/zinc/87/77/68/589877768.db2.gz CJAZVPHHKRYRCK-MWLCHTKSSA-N 1 2 245.330 1.930 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2nonc2C)cn1 ZINC000872135034 589878242 /nfs/dbraw/zinc/87/82/42/589878242.db2.gz CDGPVIJKMCPKLO-QMMMGPOBSA-N 1 2 235.291 1.445 20 0 BDADLO C([NH2+][C@]12CCC[C@H]1OCC2)c1noc(C2CC2)n1 ZINC000872312324 589909512 /nfs/dbraw/zinc/90/95/12/589909512.db2.gz RVJJTUHSEGLERU-MFKMUULPSA-N 1 2 249.314 1.748 20 0 BDADLO CC(C)(O)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000872783047 589969943 /nfs/dbraw/zinc/96/99/43/589969943.db2.gz JQKORRKSHAWCST-NSHDSACASA-N 1 2 247.342 1.951 20 0 BDADLO CC(=O)C1CC[NH+](CN2CCSC2=O)CC1 ZINC000872797792 589971492 /nfs/dbraw/zinc/97/14/92/589971492.db2.gz CEVIBAQBMWCECQ-UHFFFAOYSA-N 1 2 242.344 1.414 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC12CCC2 ZINC000872900553 589975044 /nfs/dbraw/zinc/97/50/44/589975044.db2.gz YTSFUSZTRMBHNY-VIFPVBQESA-N 1 2 234.303 1.162 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2CC23CCC3)c1 ZINC000873037718 589980886 /nfs/dbraw/zinc/98/08/86/589980886.db2.gz AFDMJUQBDQQXSZ-NSHDSACASA-N 1 2 248.330 1.204 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873157215 589988547 /nfs/dbraw/zinc/98/85/47/589988547.db2.gz UJBJYOPCGVEWRS-WXHSDQCUSA-N 1 2 235.331 1.765 20 0 BDADLO Cc1nonc1CNCc1cn(C2CC2)c[nH+]1 ZINC000873195726 589991630 /nfs/dbraw/zinc/99/16/30/589991630.db2.gz BUBIBJVYKDALRG-UHFFFAOYSA-N 1 2 233.275 1.199 20 0 BDADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)=O ZINC000873361235 590030944 /nfs/dbraw/zinc/03/09/44/590030944.db2.gz HQSDGFJXWROFGC-QWRGUYRKSA-N 1 2 227.304 1.382 20 0 BDADLO CC[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(C)=O ZINC000873361235 590030947 /nfs/dbraw/zinc/03/09/47/590030947.db2.gz HQSDGFJXWROFGC-QWRGUYRKSA-N 1 2 227.304 1.382 20 0 BDADLO COC(OC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000874270577 590100935 /nfs/dbraw/zinc/10/09/35/590100935.db2.gz YICIONKPKXXDCI-UHFFFAOYSA-N 1 2 249.270 1.200 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000874776356 590128777 /nfs/dbraw/zinc/12/87/77/590128777.db2.gz AHGATEOUBOUVBA-MNOVXSKESA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000874776424 590128938 /nfs/dbraw/zinc/12/89/38/590128938.db2.gz CBUPDWJKRXAWDL-MNOVXSKESA-N 1 2 245.326 1.504 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC12CCC2 ZINC000874777617 590129645 /nfs/dbraw/zinc/12/96/45/590129645.db2.gz GCUHPAZNDKDCOV-MRVPVSSYSA-N 1 2 205.261 1.011 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CCC2 ZINC000874781630 590132610 /nfs/dbraw/zinc/13/26/10/590132610.db2.gz XKECNRUUHFNNSD-SNVBAGLBSA-N 1 2 219.288 1.021 20 0 BDADLO CCOC1CC2(C[C@@H]2NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000874798639 590138006 /nfs/dbraw/zinc/13/80/06/590138006.db2.gz LIKXHMDHLNPWSV-QDYJBQRPSA-N 1 2 249.314 1.406 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@]12C[C@H]1CCCC2 ZINC000875591486 590166272 /nfs/dbraw/zinc/16/62/72/590166272.db2.gz MNKMLMKYWUQAIB-ZWNOBZJWSA-N 1 2 248.330 1.552 20 0 BDADLO CN(C)c1ccc(F)cc1C[NH+]1CCOCC1 ZINC000876510143 590205232 /nfs/dbraw/zinc/20/52/32/590205232.db2.gz QUKLGAOAEIUYPP-UHFFFAOYSA-N 1 2 238.306 1.724 20 0 BDADLO C[N@H+](CCO)Cc1c(Cl)cncc1Cl ZINC000876525694 590208527 /nfs/dbraw/zinc/20/85/27/590208527.db2.gz OBIDHCNOKUTUIY-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@@H+](CCO)Cc1c(Cl)cncc1Cl ZINC000876525694 590208529 /nfs/dbraw/zinc/20/85/29/590208529.db2.gz OBIDHCNOKUTUIY-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(C)ns1 ZINC000876577711 590218265 /nfs/dbraw/zinc/21/82/65/590218265.db2.gz KRBXMGGZMDUITG-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)ns1 ZINC000876577711 590218267 /nfs/dbraw/zinc/21/82/67/590218267.db2.gz KRBXMGGZMDUITG-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nc(Cl)cs1 ZINC000876746730 590237275 /nfs/dbraw/zinc/23/72/75/590237275.db2.gz VFNUDILEADEIEU-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nc(Cl)cs1 ZINC000876746730 590237276 /nfs/dbraw/zinc/23/72/76/590237276.db2.gz VFNUDILEADEIEU-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO Cc1cc(NCc2ncnn2C)ccc1[NH+](C)C ZINC000876845073 590248843 /nfs/dbraw/zinc/24/88/43/590248843.db2.gz OINCDUDDDHCQGO-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](C)OC ZINC000877302560 590309629 /nfs/dbraw/zinc/30/96/29/590309629.db2.gz GDAZRSWBBPMTRW-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000877470219 590334691 /nfs/dbraw/zinc/33/46/91/590334691.db2.gz ZLBWXUHBAPEABM-VWYCJHECSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000877476923 590335899 /nfs/dbraw/zinc/33/58/99/590335899.db2.gz QYVKLBKFWMEQSU-DSYKOEDSSA-N 1 2 207.220 1.181 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)cnc1F ZINC000877549508 590354611 /nfs/dbraw/zinc/35/46/11/590354611.db2.gz DZSOPMKGQCDUCJ-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(OC)cnc1F ZINC000877549508 590354614 /nfs/dbraw/zinc/35/46/14/590354614.db2.gz DZSOPMKGQCDUCJ-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO CCOC1C[NH+](Cc2cnc3c(cnn3C)c2)C1 ZINC000877580128 590364681 /nfs/dbraw/zinc/36/46/81/590364681.db2.gz NCPVFISFORLNBS-UHFFFAOYSA-N 1 2 246.314 1.189 20 0 BDADLO CC1(O)C[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000877581260 590365858 /nfs/dbraw/zinc/36/58/58/590365858.db2.gz SQZMXFCZLCMQJK-LURJTMIESA-N 1 2 210.104 1.247 20 0 BDADLO CCONC(=O)C[NH2+]CCC(C)(C)SC ZINC000877613216 590373702 /nfs/dbraw/zinc/37/37/02/590373702.db2.gz AYVBSUFAEPLZGA-UHFFFAOYSA-N 1 2 234.365 1.175 20 0 BDADLO COCc1nnc(C[NH2+]CC2(C)CCCC2)[nH]1 ZINC000877624403 590377099 /nfs/dbraw/zinc/37/70/99/590377099.db2.gz AKPCEUHFPBLMBO-UHFFFAOYSA-N 1 2 238.335 1.621 20 0 BDADLO CCCn1cc(C[NH+]2CC(CC3CC3)C2)nn1 ZINC000877647236 590384032 /nfs/dbraw/zinc/38/40/32/590384032.db2.gz USZNTJUZHVBSIF-UHFFFAOYSA-N 1 2 234.347 1.920 20 0 BDADLO Cc1nc(F)ccc1C[NH2+]Cc1ncc[nH]1 ZINC000877672411 590388992 /nfs/dbraw/zinc/38/89/92/590388992.db2.gz DSNXGEQYFWFAPP-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)no1 ZINC000877693677 590393374 /nfs/dbraw/zinc/39/33/74/590393374.db2.gz NSKMYRMWEKCPCZ-POYBYMJQSA-N 1 2 238.209 1.384 20 0 BDADLO Cn1ncc(C[NH+]2CC(C)(C)C2)c1Cl ZINC000877717900 590399892 /nfs/dbraw/zinc/39/98/92/590399892.db2.gz STBCPMTYWCBWMJ-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO COC(=O)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000877721861 590402005 /nfs/dbraw/zinc/40/20/05/590402005.db2.gz DMYFPPCBDLQKEB-UHFFFAOYSA-N 1 2 224.260 1.024 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cc(F)ncc1F ZINC000877780698 590420800 /nfs/dbraw/zinc/42/08/00/590420800.db2.gz ZJTANCJJUAKXSG-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccon2)C1 ZINC000877830989 590428778 /nfs/dbraw/zinc/42/87/78/590428778.db2.gz SPBQCKPGHCSBKO-SECBINFHSA-N 1 2 238.287 1.306 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000877832323 590430200 /nfs/dbraw/zinc/43/02/00/590430200.db2.gz JTELVHTWEMJCEF-UHFFFAOYSA-N 1 2 244.298 1.552 20 0 BDADLO Cc1ccc2c(c1)N[C@@H](c1c[nH]c[nH+]1)NC2=O ZINC000877865348 590433866 /nfs/dbraw/zinc/43/38/66/590433866.db2.gz YOVFPRKVTMBCQG-LLVKDONJSA-N 1 2 228.255 1.572 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1cscn1 ZINC000877996111 590468639 /nfs/dbraw/zinc/46/86/39/590468639.db2.gz NKVOHKWCBNEVKR-NSHDSACASA-N 1 2 228.361 1.982 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1cscn1 ZINC000877996111 590468641 /nfs/dbraw/zinc/46/86/41/590468641.db2.gz NKVOHKWCBNEVKR-NSHDSACASA-N 1 2 228.361 1.982 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000878028614 590474143 /nfs/dbraw/zinc/47/41/43/590474143.db2.gz FIAPEWJUQVOJLC-LLVKDONJSA-N 1 2 245.363 1.667 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000878028614 590474145 /nfs/dbraw/zinc/47/41/45/590474145.db2.gz FIAPEWJUQVOJLC-LLVKDONJSA-N 1 2 245.363 1.667 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1nocc1C ZINC000878032391 590475737 /nfs/dbraw/zinc/47/57/37/590475737.db2.gz KNAMAGFDTXWIRT-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1nocc1C ZINC000878032391 590475740 /nfs/dbraw/zinc/47/57/40/590475740.db2.gz KNAMAGFDTXWIRT-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCCOC(F)(F)F ZINC000878043744 590479385 /nfs/dbraw/zinc/47/93/85/590479385.db2.gz AQRDNBJNJFFSQX-UHFFFAOYSA-N 1 2 243.225 1.454 20 0 BDADLO CS(C)(=O)=NC(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000878049747 590482320 /nfs/dbraw/zinc/48/23/20/590482320.db2.gz MHQUIUWFQMUZBG-JTQLQIEISA-N 1 2 244.360 1.115 20 0 BDADLO CS(C)(=O)=NC(=O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000878049747 590482322 /nfs/dbraw/zinc/48/23/22/590482322.db2.gz MHQUIUWFQMUZBG-JTQLQIEISA-N 1 2 244.360 1.115 20 0 BDADLO CCC[C@@](C)([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878113087 590497308 /nfs/dbraw/zinc/49/73/08/590497308.db2.gz SHRKDZRUFUKMJK-DGCLKSJQSA-N 1 2 245.363 1.715 20 0 BDADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000878340286 590550606 /nfs/dbraw/zinc/55/06/06/590550606.db2.gz UMEPTDDPNDQIHV-SNVBAGLBSA-N 1 2 217.284 1.067 20 0 BDADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000878340286 590550607 /nfs/dbraw/zinc/55/06/07/590550607.db2.gz UMEPTDDPNDQIHV-SNVBAGLBSA-N 1 2 217.284 1.067 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000878383993 590557685 /nfs/dbraw/zinc/55/76/85/590557685.db2.gz XCQIYEDWAXTSCR-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000878383993 590557686 /nfs/dbraw/zinc/55/76/86/590557686.db2.gz XCQIYEDWAXTSCR-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878453608 590569249 /nfs/dbraw/zinc/56/92/49/590569249.db2.gz VZIZSCDMRIYFJF-UWVGGRQHSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878453608 590569250 /nfs/dbraw/zinc/56/92/50/590569250.db2.gz VZIZSCDMRIYFJF-UWVGGRQHSA-N 1 2 246.376 1.361 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000878482124 590576647 /nfs/dbraw/zinc/57/66/47/590576647.db2.gz KOGCIWPBQRMDGN-IINYFYTJSA-N 1 2 248.326 1.368 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000878482124 590576649 /nfs/dbraw/zinc/57/66/49/590576649.db2.gz KOGCIWPBQRMDGN-IINYFYTJSA-N 1 2 248.326 1.368 20 0 BDADLO C=C/C=C/CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493886 590579253 /nfs/dbraw/zinc/57/92/53/590579253.db2.gz WZGGAORSXDNOST-FSIBCCDJSA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C/CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493886 590579255 /nfs/dbraw/zinc/57/92/55/590579255.db2.gz WZGGAORSXDNOST-FSIBCCDJSA-N 1 2 217.259 1.821 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1nocc1C ZINC000878492759 590579657 /nfs/dbraw/zinc/57/96/57/590579657.db2.gz QSLYFJQTZFJBTI-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1nocc1C ZINC000878492759 590579659 /nfs/dbraw/zinc/57/96/59/590579659.db2.gz QSLYFJQTZFJBTI-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO Cc1[nH]c(CN2Cc3cccnc3C2)[nH+]c1C ZINC000878548818 590590867 /nfs/dbraw/zinc/59/08/67/590590867.db2.gz VAXWAMGEGLGVDL-UHFFFAOYSA-N 1 2 228.299 1.937 20 0 BDADLO CC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000878610999 590595539 /nfs/dbraw/zinc/59/55/39/590595539.db2.gz KJSIMBVBLAMFMU-LLVKDONJSA-N 1 2 242.319 1.128 20 0 BDADLO CC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000878610999 590595541 /nfs/dbraw/zinc/59/55/41/590595541.db2.gz KJSIMBVBLAMFMU-LLVKDONJSA-N 1 2 242.319 1.128 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc3c(c(=O)[nH]2)COCC3)[C@H]1C ZINC000878652299 590602545 /nfs/dbraw/zinc/60/25/45/590602545.db2.gz OAYDXKYARDPVIX-IUCAKERBSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc3c(c(=O)[nH]2)COCC3)[C@H]1C ZINC000878652299 590602547 /nfs/dbraw/zinc/60/25/47/590602547.db2.gz OAYDXKYARDPVIX-IUCAKERBSA-N 1 2 249.314 1.095 20 0 BDADLO CC[C@](COC)([NH2+]CCCC1CC1)C(=O)OC ZINC000878698357 590611171 /nfs/dbraw/zinc/61/11/71/590611171.db2.gz QZYHTRPURJCUNQ-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO C[C@H]1[C@@H](C)[N@@H+](CC(=O)N=S(C)(C)=O)C[C@H]1C ZINC000878718597 590614834 /nfs/dbraw/zinc/61/48/34/590614834.db2.gz VGUDFDKCAWIXRR-OPRDCNLKSA-N 1 2 246.376 1.217 20 0 BDADLO C[C@H]1[C@@H](C)[N@H+](CC(=O)N=S(C)(C)=O)C[C@H]1C ZINC000878718597 590614835 /nfs/dbraw/zinc/61/48/35/590614835.db2.gz VGUDFDKCAWIXRR-OPRDCNLKSA-N 1 2 246.376 1.217 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCCC1CC1 ZINC000878810966 590626644 /nfs/dbraw/zinc/62/66/44/590626644.db2.gz BOIFOLKVHULJMK-AWEZNQCLSA-N 1 2 249.358 1.984 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CCCC1CC1 ZINC000878810966 590626646 /nfs/dbraw/zinc/62/66/46/590626646.db2.gz BOIFOLKVHULJMK-AWEZNQCLSA-N 1 2 249.358 1.984 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CC[C@@H](O)C(C)C)n1 ZINC000878844994 590631510 /nfs/dbraw/zinc/63/15/10/590631510.db2.gz GVTLIWLUBNZWGB-GXSJLCMTSA-N 1 2 241.335 1.778 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CC[C@@H](O)C(C)C)n1 ZINC000878844994 590631511 /nfs/dbraw/zinc/63/15/11/590631511.db2.gz GVTLIWLUBNZWGB-GXSJLCMTSA-N 1 2 241.335 1.778 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC[C@H](O)C(C)C ZINC000878952021 590660128 /nfs/dbraw/zinc/66/01/28/590660128.db2.gz RZZZJMDXMVZGFO-JQWIXIFHSA-N 1 2 249.326 1.274 20 0 BDADLO CO[C@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000878969151 590663983 /nfs/dbraw/zinc/66/39/83/590663983.db2.gz LTXQGNUYMPSTON-VXGBXAGGSA-N 1 2 243.347 1.639 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000878969151 590663984 /nfs/dbraw/zinc/66/39/84/590663984.db2.gz LTXQGNUYMPSTON-VXGBXAGGSA-N 1 2 243.347 1.639 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000879057905 590688080 /nfs/dbraw/zinc/68/80/80/590688080.db2.gz XZFWKLBVJZUQQN-JBLDHEPKSA-N 1 2 249.314 1.149 20 0 BDADLO Cc1ncoc1CNC(=O)Nc1cc[nH+]cc1C ZINC000879073031 590691471 /nfs/dbraw/zinc/69/14/71/590691471.db2.gz LAWBZPCAYCDEFF-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC23CCC3)cc[nH+]1 ZINC000879070482 590692158 /nfs/dbraw/zinc/69/21/58/590692158.db2.gz JYUNBAMAACHTBQ-NSHDSACASA-N 1 2 231.299 1.876 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2csnn2)C1 ZINC000879325898 590746753 /nfs/dbraw/zinc/74/67/53/590746753.db2.gz PALRVADSDRDTFD-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2csnn2)C1 ZINC000879325898 590746756 /nfs/dbraw/zinc/74/67/56/590746756.db2.gz PALRVADSDRDTFD-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326208 590746819 /nfs/dbraw/zinc/74/68/19/590746819.db2.gz QHZLFQKJZKBUOZ-PSASIEDQSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326208 590746821 /nfs/dbraw/zinc/74/68/21/590746821.db2.gz QHZLFQKJZKBUOZ-PSASIEDQSA-N 1 2 224.308 1.112 20 0 BDADLO C[C@@]1(C(F)(F)F)C[N@H+](CCCF)CCO1 ZINC000879505046 590783201 /nfs/dbraw/zinc/78/32/01/590783201.db2.gz USDXVRADBNCEHU-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO C[C@@]1(C(F)(F)F)C[N@@H+](CCCF)CCO1 ZINC000879505046 590783203 /nfs/dbraw/zinc/78/32/03/590783203.db2.gz USDXVRADBNCEHU-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)s1 ZINC000879622532 590835725 /nfs/dbraw/zinc/83/57/25/590835725.db2.gz LTHRHXVKDXATGS-SECBINFHSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H](O)CC(C)(C)C2)s1 ZINC000879622532 590835728 /nfs/dbraw/zinc/83/57/28/590835728.db2.gz LTHRHXVKDXATGS-SECBINFHSA-N 1 2 241.360 1.439 20 0 BDADLO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000879672983 590845603 /nfs/dbraw/zinc/84/56/03/590845603.db2.gz YYXARCUATONGHV-RKDXNWHRSA-N 1 2 246.236 1.791 20 0 BDADLO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000879672983 590845605 /nfs/dbraw/zinc/84/56/05/590845605.db2.gz YYXARCUATONGHV-RKDXNWHRSA-N 1 2 246.236 1.791 20 0 BDADLO COC(=O)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879732283 590856767 /nfs/dbraw/zinc/85/67/67/590856767.db2.gz XBUOFVWGIDGWSF-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)NCc1c[nH+]c[nH]1 ZINC000879980102 590902785 /nfs/dbraw/zinc/90/27/85/590902785.db2.gz FXQMKMWOSRLNPA-LLVKDONJSA-N 1 2 237.303 1.231 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)NCc1c[nH]c[nH+]1 ZINC000879980102 590902788 /nfs/dbraw/zinc/90/27/88/590902788.db2.gz FXQMKMWOSRLNPA-LLVKDONJSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H](C)[NH2+][C@H](Cc1cncs1)C(=O)OC ZINC000879990250 590905011 /nfs/dbraw/zinc/90/50/11/590905011.db2.gz YMJBOKQGZUFDSQ-PSASIEDQSA-N 1 2 242.344 1.615 20 0 BDADLO Cc1csc([C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)n1 ZINC000880012593 590910593 /nfs/dbraw/zinc/91/05/93/590910593.db2.gz VDKBZLRUXJRSNY-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)n1 ZINC000880012593 590910596 /nfs/dbraw/zinc/91/05/96/590910596.db2.gz VDKBZLRUXJRSNY-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)n1 ZINC000880012593 590910597 /nfs/dbraw/zinc/91/05/97/590910597.db2.gz VDKBZLRUXJRSNY-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)n1 ZINC000880012593 590910600 /nfs/dbraw/zinc/91/06/00/590910600.db2.gz VDKBZLRUXJRSNY-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)n1 ZINC000880012593 590910602 /nfs/dbraw/zinc/91/06/02/590910602.db2.gz VDKBZLRUXJRSNY-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1csc([C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)n1 ZINC000880012593 590910604 /nfs/dbraw/zinc/91/06/04/590910604.db2.gz VDKBZLRUXJRSNY-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cnc(C2CC2)o1 ZINC000880026782 590911796 /nfs/dbraw/zinc/91/17/96/590911796.db2.gz KXDUQJMHFPPZQH-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CCc1nnc(C[N@H+](C)C2(COC)CCC2)[nH]1 ZINC000880186489 590953228 /nfs/dbraw/zinc/95/32/28/590953228.db2.gz YYTOOJCLGANPJN-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2(COC)CCC2)[nH]1 ZINC000880186489 590953232 /nfs/dbraw/zinc/95/32/32/590953232.db2.gz YYTOOJCLGANPJN-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880236782 590966448 /nfs/dbraw/zinc/96/64/48/590966448.db2.gz IPLMUAANEXRXEY-NSHDSACASA-N 1 2 231.311 1.867 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880236782 590966451 /nfs/dbraw/zinc/96/64/51/590966451.db2.gz IPLMUAANEXRXEY-NSHDSACASA-N 1 2 231.311 1.867 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@@H](CF)C2)n1 ZINC000880238371 590970089 /nfs/dbraw/zinc/97/00/89/590970089.db2.gz SJMPYFCPUMCAPZ-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000880238371 590970092 /nfs/dbraw/zinc/97/00/92/590970092.db2.gz SJMPYFCPUMCAPZ-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO CCn1nc(C)c(C[NH+]2CCC(F)CC2)n1 ZINC000880239395 590972782 /nfs/dbraw/zinc/97/27/82/590972782.db2.gz GUSLLXCZEQOPGS-UHFFFAOYSA-N 1 2 226.299 1.540 20 0 BDADLO CC(C)(C)n1nnnc1C[NH+]1CCC(F)CC1 ZINC000880240380 590974096 /nfs/dbraw/zinc/97/40/96/590974096.db2.gz XQCBONDEQHINPG-UHFFFAOYSA-N 1 2 241.314 1.362 20 0 BDADLO CO[C@@]1(C(F)(F)F)CC[N@H+](CCF)C1 ZINC000880306131 590998376 /nfs/dbraw/zinc/99/83/76/590998376.db2.gz MDWBFRXUNMGFNE-ZETCQYMHSA-N 1 2 215.190 1.609 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000880483242 591057190 /nfs/dbraw/zinc/05/71/90/591057190.db2.gz DHJNBDBWVZTWPS-SECBINFHSA-N 1 2 247.254 1.062 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000880483242 591057194 /nfs/dbraw/zinc/05/71/94/591057194.db2.gz DHJNBDBWVZTWPS-SECBINFHSA-N 1 2 247.254 1.062 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880485338 591058281 /nfs/dbraw/zinc/05/82/81/591058281.db2.gz FKYJQLNCQUWJSJ-CYBMUJFWSA-N 1 2 246.310 1.166 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880485338 591058285 /nfs/dbraw/zinc/05/82/85/591058285.db2.gz FKYJQLNCQUWJSJ-CYBMUJFWSA-N 1 2 246.310 1.166 20 0 BDADLO CCc1nc(C[N@@H+]2CC=C[C@H]2CO)cs1 ZINC000880484612 591059295 /nfs/dbraw/zinc/05/92/95/591059295.db2.gz RBTHIVFZTRODJW-JTQLQIEISA-N 1 2 224.329 1.438 20 0 BDADLO CCc1nc(C[N@H+]2CC=C[C@H]2CO)cs1 ZINC000880484612 591059297 /nfs/dbraw/zinc/05/92/97/591059297.db2.gz RBTHIVFZTRODJW-JTQLQIEISA-N 1 2 224.329 1.438 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000880488570 591062754 /nfs/dbraw/zinc/06/27/54/591062754.db2.gz HQRYYRSPMMFRAJ-GFCCVEGCSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000880488570 591062758 /nfs/dbraw/zinc/06/27/58/591062758.db2.gz HQRYYRSPMMFRAJ-GFCCVEGCSA-N 1 2 225.238 1.698 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(C2CC2)CC1 ZINC000888852423 591154293 /nfs/dbraw/zinc/15/42/93/591154293.db2.gz SSQFIMKWSKHWIY-UHFFFAOYSA-N 1 2 216.284 1.941 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc([C@@H](C)O)nn1 ZINC000881311978 591187036 /nfs/dbraw/zinc/18/70/36/591187036.db2.gz DWKUZHGYCPDLBX-SECBINFHSA-N 1 2 218.260 1.083 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1CCCC1CC1 ZINC000881322772 591190304 /nfs/dbraw/zinc/19/03/04/591190304.db2.gz NBRNGDKMBRGQSJ-GFCCVEGCSA-N 1 2 236.319 1.129 20 0 BDADLO Cc1cc(Cn2cc([C@H](O)C3CC3)nn2)cc[nH+]1 ZINC000881323110 591190472 /nfs/dbraw/zinc/19/04/72/591190472.db2.gz APIKPYNROIZVDR-CYBMUJFWSA-N 1 2 244.298 1.473 20 0 BDADLO C[C@@H]1CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000881479906 591209733 /nfs/dbraw/zinc/20/97/33/591209733.db2.gz IWNDRHYNUJZQHS-SNVBAGLBSA-N 1 2 229.283 1.498 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000881495610 591219025 /nfs/dbraw/zinc/21/90/25/591219025.db2.gz LXDZOAYAOYUHGU-VXGBXAGGSA-N 1 2 245.326 1.528 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C=CCC1 ZINC000881497470 591220442 /nfs/dbraw/zinc/22/04/42/591220442.db2.gz BMHLPLBUTOLUAG-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000881566191 591240781 /nfs/dbraw/zinc/24/07/81/591240781.db2.gz VUSCILAZVNAPLF-PCAWENJQSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000881567979 591242506 /nfs/dbraw/zinc/24/25/06/591242506.db2.gz YHRXWKXKTUGLNZ-VSQXVHSFSA-N 1 2 245.326 1.694 20 0 BDADLO COC[C@H](C)CNc1nc[nH+]c(C)c1C ZINC000881847636 591274596 /nfs/dbraw/zinc/27/45/96/591274596.db2.gz HSUHIXJBWYYERX-MRVPVSSYSA-N 1 2 209.293 1.788 20 0 BDADLO Cc1[nH+]cnc(N(C)CC[C@H](C)O)c1C ZINC000882024202 591288752 /nfs/dbraw/zinc/28/87/52/591288752.db2.gz RWMJAYVGIHBNQI-QMMMGPOBSA-N 1 2 209.293 1.301 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)CCCO)c1C ZINC000882080185 591294835 /nfs/dbraw/zinc/29/48/35/591294835.db2.gz KGXQWZQMKXAZQJ-QMMMGPOBSA-N 1 2 209.293 1.666 20 0 BDADLO Cc1[nH+]cnc(NCCc2cnccn2)c1C ZINC000882160785 591308754 /nfs/dbraw/zinc/30/87/54/591308754.db2.gz WKQAOZJWNWLVJB-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BDADLO Cc1[nH+]cnc(NC2COC(C)(C)OC2)c1C ZINC000882182988 591312176 /nfs/dbraw/zinc/31/21/76/591312176.db2.gz IYIJMCRYTDYVBL-UHFFFAOYSA-N 1 2 237.303 1.657 20 0 BDADLO CCn1cc(CNc2nc[nH+]c(C)c2C)cn1 ZINC000882353758 591336886 /nfs/dbraw/zinc/33/68/86/591336886.db2.gz LEXONRGXMONEPX-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO Cc1[nH+]cnc(N2CC3(C2)CCCOC3)c1C ZINC000882376386 591339651 /nfs/dbraw/zinc/33/96/51/591339651.db2.gz AYDAIZCYKSUOJZ-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH+]cnc(N2CC(C3CC3)C2)c1C ZINC000882389147 591341151 /nfs/dbraw/zinc/34/11/51/591341151.db2.gz FMFCOLSHDZWJLU-UHFFFAOYSA-N 1 2 203.289 1.940 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CN(c3cc[nH+]cc3F)C[C@@H]21 ZINC000882393293 591342880 /nfs/dbraw/zinc/34/28/80/591342880.db2.gz YKIQREQMJITBDV-VROVMSAKSA-N 1 2 236.246 1.076 20 0 BDADLO Cc1[nH+]cnc(NCCC(C)(C)CO)c1C ZINC000882409315 591344239 /nfs/dbraw/zinc/34/42/39/591344239.db2.gz WRKIYFDDCRSXSM-UHFFFAOYSA-N 1 2 223.320 1.914 20 0 BDADLO CON1CCC(Nc2nc[nH+]c(C)c2C)CC1 ZINC000882472385 591354595 /nfs/dbraw/zinc/35/45/95/591354595.db2.gz FJBSIXDIPGGURQ-UHFFFAOYSA-N 1 2 236.319 1.531 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](c3nnc[nH]3)C2)c1C ZINC000882476286 591355068 /nfs/dbraw/zinc/35/50/68/591355068.db2.gz GOROUIKZHQJTHX-SNVBAGLBSA-N 1 2 244.302 1.205 20 0 BDADLO CCN1C[C@@H](CNc2nc[nH+]c(C)c2C)CC1=O ZINC000882527275 591381916 /nfs/dbraw/zinc/38/19/16/591381916.db2.gz VOAMQZZLESCEFU-LLVKDONJSA-N 1 2 248.330 1.374 20 0 BDADLO Fc1c[nH+]ccc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000882530243 591383192 /nfs/dbraw/zinc/38/31/92/591383192.db2.gz KUQCWRJGBUIDCK-KNVOCYPGSA-N 1 2 214.190 1.922 20 0 BDADLO CCc1cc(NCCc2ccc(=O)[nH]c2)nc[nH+]1 ZINC000882537213 591387371 /nfs/dbraw/zinc/38/73/71/591387371.db2.gz BDKRMVMXNPCWNX-UHFFFAOYSA-N 1 2 244.298 1.794 20 0 BDADLO O=C1CCC2=C(CCN(c3cc[nH+]cc3F)C2)N1 ZINC000882576013 591393463 /nfs/dbraw/zinc/39/34/63/591393463.db2.gz RCJNXWLQFJKJKB-UHFFFAOYSA-N 1 2 247.273 1.595 20 0 BDADLO Cc1[nH+]cnc(NCCCc2c[nH][nH]c2=O)c1C ZINC000882618825 591400324 /nfs/dbraw/zinc/40/03/24/591400324.db2.gz VYGFAQJDUXUVQA-JTQLQIEISA-N 1 2 247.302 1.017 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CCOC3(CCC3)C2)C1 ZINC000129767282 591401681 /nfs/dbraw/zinc/40/16/81/591401681.db2.gz QUINZLTUWICWQO-NSHDSACASA-N 1 2 238.331 1.067 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CCOC3(CCC3)C2)C1 ZINC000129767282 591401683 /nfs/dbraw/zinc/40/16/83/591401683.db2.gz QUINZLTUWICWQO-NSHDSACASA-N 1 2 238.331 1.067 20 0 BDADLO CC1(C)C[C@H](O)CN(c2cc[nH+]cc2F)C1 ZINC000882702983 591411305 /nfs/dbraw/zinc/41/13/05/591411305.db2.gz PGRPJMZFHKEPAO-VIFPVBQESA-N 1 2 224.279 1.818 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1cc(CO)cc[nH+]1 ZINC000882707934 591416049 /nfs/dbraw/zinc/41/60/49/591416049.db2.gz INVSGFWNXLBGLD-KOLCDFICSA-N 1 2 224.304 1.535 20 0 BDADLO Cc1nccnc1[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000882719228 591420709 /nfs/dbraw/zinc/42/07/09/591420709.db2.gz FLKOEVPLAGDVDM-JTQLQIEISA-N 1 2 244.298 1.845 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1C=CCC1 ZINC000882757133 591430349 /nfs/dbraw/zinc/43/03/49/591430349.db2.gz YLHRBWDCOXEZSF-MRVPVSSYSA-N 1 2 244.302 1.324 20 0 BDADLO Cc1cc(NC[C@@H](CO)Cc2ccoc2)nc[nH+]1 ZINC000882866214 591457453 /nfs/dbraw/zinc/45/74/53/591457453.db2.gz HLEJIBOZFZJEAS-LBPRGKRZSA-N 1 2 247.298 1.641 20 0 BDADLO CCOCCN(CC)c1ccc([C@H](C)O)c[nH+]1 ZINC000213297433 591460000 /nfs/dbraw/zinc/46/00/00/591460000.db2.gz IHZMOPLGMKLGNT-NSHDSACASA-N 1 2 238.331 1.998 20 0 BDADLO CCn1cnnc1CNCc1[nH]cc(C(C)C)[nH+]1 ZINC000882892674 591466399 /nfs/dbraw/zinc/46/63/99/591466399.db2.gz BXCDCPNDGSHNFI-UHFFFAOYSA-N 1 2 248.334 1.434 20 0 BDADLO CO[C@H]1COCC[C@H]1N(C)c1cccc[nH+]1 ZINC000882941058 591479397 /nfs/dbraw/zinc/47/93/97/591479397.db2.gz HQPJNCFQYORSJX-MNOVXSKESA-N 1 2 222.288 1.322 20 0 BDADLO Cc1cc(N2CC=C[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000882976997 591490305 /nfs/dbraw/zinc/49/03/05/591490305.db2.gz UNRAOMJGGDQYFJ-NSHDSACASA-N 1 2 231.299 1.400 20 0 BDADLO CCc1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883011216 591511302 /nfs/dbraw/zinc/51/13/02/591511302.db2.gz OAFLDWWYHJTTAH-UHFFFAOYSA-N 1 2 208.261 1.240 20 0 BDADLO CC(C)Cc1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883011128 591511771 /nfs/dbraw/zinc/51/17/71/591511771.db2.gz KREBDMATQBQHBU-UHFFFAOYSA-N 1 2 236.315 1.876 20 0 BDADLO CCC(CC)n1ccc(CO[NH+]=C(N)CO)n1 ZINC000883012041 591513308 /nfs/dbraw/zinc/51/33/08/591513308.db2.gz RBBGWKVLOAXXKS-UHFFFAOYSA-N 1 2 240.307 1.235 20 0 BDADLO NC(CO)=[NH+]OCC[C@@H]1CCc2ccccc21 ZINC000883013350 591513923 /nfs/dbraw/zinc/51/39/23/591513923.db2.gz LPQSJVROSAQHSL-NSHDSACASA-N 1 2 234.299 1.597 20 0 BDADLO CC1(C)CCCC[C@H]1CO[NH+]=C(N)CO ZINC000883013247 591513882 /nfs/dbraw/zinc/51/38/82/591513882.db2.gz JLRCBAPZAFHRNR-VIFPVBQESA-N 1 2 214.309 1.694 20 0 BDADLO NC(CO)=[NH+]OCCSc1ccc(F)cc1 ZINC000883013250 591514646 /nfs/dbraw/zinc/51/46/46/591514646.db2.gz JPIXAUKCPDCBKY-UHFFFAOYSA-N 1 2 244.291 1.409 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)CO)CC(F)F ZINC000883013363 591514812 /nfs/dbraw/zinc/51/48/12/591514812.db2.gz LYJOUYHURWICAO-ZCFIWIBFSA-N 1 2 210.224 1.159 20 0 BDADLO CC(C)c1c[nH]c(CNc2ccn(CCO)n2)[nH+]1 ZINC000883046204 591527152 /nfs/dbraw/zinc/52/71/52/591527152.db2.gz BNGPOQBJXBBZQG-UHFFFAOYSA-N 1 2 249.318 1.334 20 0 BDADLO Cc1c[nH]nc1CNc1cc(CO)cc[nH+]1 ZINC000883147908 591552252 /nfs/dbraw/zinc/55/22/52/591552252.db2.gz NGIOPXKIMJZTEL-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC[C@H]1C=CCC1 ZINC000883322662 591616320 /nfs/dbraw/zinc/61/63/20/591616320.db2.gz PKLCVRXNFNXPBQ-JTQLQIEISA-N 1 2 234.303 1.186 20 0 BDADLO CCn1ncc(CNc2c[nH+]c(C)c(C)c2)n1 ZINC000883341747 591620110 /nfs/dbraw/zinc/62/01/10/591620110.db2.gz YUIHUSMYFRSISF-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO Cc1cc(N[C@H](C)CS(C)(=O)=O)c[nH+]c1C ZINC000883342255 591622108 /nfs/dbraw/zinc/62/21/08/591622108.db2.gz QNNAQGXNDCYOCY-SECBINFHSA-N 1 2 242.344 1.543 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000131874693 591672874 /nfs/dbraw/zinc/67/28/74/591672874.db2.gz DBPKRLZSEIEYPH-LLVKDONJSA-N 1 2 223.272 1.807 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccoc1 ZINC000131874693 591672876 /nfs/dbraw/zinc/67/28/76/591672876.db2.gz DBPKRLZSEIEYPH-LLVKDONJSA-N 1 2 223.272 1.807 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnn(C2CCC2)c1 ZINC000889054402 591776366 /nfs/dbraw/zinc/77/63/66/591776366.db2.gz SXMDKBGRVKQVSG-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO CCC1(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000800179419 591832625 /nfs/dbraw/zinc/83/26/25/591832625.db2.gz NKHVBNOROLQWGF-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CCC1(C(=O)OCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000800179419 591832629 /nfs/dbraw/zinc/83/26/29/591832629.db2.gz NKHVBNOROLQWGF-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)[C@H]2CC2(C)C)CCO1 ZINC000800188149 591834830 /nfs/dbraw/zinc/83/48/30/591834830.db2.gz ZJWAILSWPLUVTE-WDEREUQCSA-N 1 2 241.331 1.296 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)[C@H]2CC2(C)C)CCO1 ZINC000800188149 591834835 /nfs/dbraw/zinc/83/48/35/591834835.db2.gz ZJWAILSWPLUVTE-WDEREUQCSA-N 1 2 241.331 1.296 20 0 BDADLO CS/C=C/C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800185529 591835526 /nfs/dbraw/zinc/83/55/26/591835526.db2.gz IKWJAOOAAZNIAP-ANRVEHPFSA-N 1 2 245.344 1.127 20 0 BDADLO CS/C=C/C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800185529 591835528 /nfs/dbraw/zinc/83/55/28/591835528.db2.gz IKWJAOOAAZNIAP-ANRVEHPFSA-N 1 2 245.344 1.127 20 0 BDADLO Cc1c[nH+]cc(N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000134341292 591919586 /nfs/dbraw/zinc/91/95/86/591919586.db2.gz BSRHLYUGVQASGH-SNVBAGLBSA-N 1 2 240.328 1.379 20 0 BDADLO C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000134361407 591922108 /nfs/dbraw/zinc/92/21/08/591922108.db2.gz QBEVMIMVCFCCKF-HTAVTVPLSA-N 1 2 240.347 1.314 20 0 BDADLO C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000134361407 591922111 /nfs/dbraw/zinc/92/21/11/591922111.db2.gz QBEVMIMVCFCCKF-HTAVTVPLSA-N 1 2 240.347 1.314 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000134554885 591936069 /nfs/dbraw/zinc/93/60/69/591936069.db2.gz QHLOXIRGOANGGA-MWLCHTKSSA-N 1 2 225.336 1.776 20 0 BDADLO CCCNc1cc(NC[C@@H](O)CCC)nc[nH+]1 ZINC000134663742 591946247 /nfs/dbraw/zinc/94/62/47/591946247.db2.gz QGALTGULPQCDSL-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NC[C@@H](O)CCC)[nH+]cn1 ZINC000134663742 591946248 /nfs/dbraw/zinc/94/62/48/591946248.db2.gz QGALTGULPQCDSL-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCc1nc(N2CC[C@H]2COC)cc[nH+]1 ZINC000884515900 591963393 /nfs/dbraw/zinc/96/33/93/591963393.db2.gz VZRAGQZYDMKTCI-VIFPVBQESA-N 1 2 207.277 1.264 20 0 BDADLO CCc1nc(N[C@H](CC)[C@H](C)O)cc[nH+]1 ZINC000884522216 591965263 /nfs/dbraw/zinc/96/52/63/591965263.db2.gz RVHCRNLOTQRBDU-DTWKUNHWSA-N 1 2 209.293 1.610 20 0 BDADLO CCc1nc(NC[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000884524952 591965741 /nfs/dbraw/zinc/96/57/41/591965741.db2.gz JZVMKQDTNJIXCV-VHSXEESVSA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N[C@@H]2CC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000884525193 591965938 /nfs/dbraw/zinc/96/59/38/591965938.db2.gz OYPACJCQUSYSRK-DTWKUNHWSA-N 1 2 234.303 1.105 20 0 BDADLO Cc1cnc(NCCc2cn(C)c[nH+]2)o1 ZINC000884527005 591966582 /nfs/dbraw/zinc/96/65/82/591966582.db2.gz HUCPFLIKGHZFSL-UHFFFAOYSA-N 1 2 206.249 1.371 20 0 BDADLO CCc1nc(N[C@@H]2CCNC(=O)CC2)cc[nH+]1 ZINC000884531859 591969143 /nfs/dbraw/zinc/96/91/43/591969143.db2.gz WZRCYQHAGVPGKW-VIFPVBQESA-N 1 2 234.303 1.120 20 0 BDADLO CCc1nc(N2CCC[C@@H](CO)[C@@H]2C)cc[nH+]1 ZINC000884532072 591969703 /nfs/dbraw/zinc/96/97/03/591969703.db2.gz BKLNIAIGUWJAGU-QWRGUYRKSA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N2CC[C@H](c3nnc[nH]3)C2)cc[nH+]1 ZINC000884536118 591970525 /nfs/dbraw/zinc/97/05/25/591970525.db2.gz SRQHTKGZOSDFDP-VIFPVBQESA-N 1 2 244.302 1.151 20 0 BDADLO CCc1nc(N[C@@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000884543388 591972270 /nfs/dbraw/zinc/97/22/70/591972270.db2.gz CPADNDATIVAMBM-IUCAKERBSA-N 1 2 207.277 1.628 20 0 BDADLO CCc1nc(N[C@H](CO)CC(C)C)cc[nH+]1 ZINC000884556641 591978571 /nfs/dbraw/zinc/97/85/71/591978571.db2.gz VVRPVZOBYIHIEM-JTQLQIEISA-N 1 2 223.320 1.858 20 0 BDADLO CCc1nc(N2C[C@@H]3CCC[C@]3(CO)C2)cc[nH+]1 ZINC000884566106 591981866 /nfs/dbraw/zinc/98/18/66/591981866.db2.gz BFFPTRJUPZUMNE-SMDDNHRTSA-N 1 2 247.342 1.638 20 0 BDADLO CCc1nc(NCC[C@@H](O)C(F)F)cc[nH+]1 ZINC000884570592 591984532 /nfs/dbraw/zinc/98/45/32/591984532.db2.gz SZSFARGYERDQOD-SSDOTTSWSA-N 1 2 231.246 1.467 20 0 BDADLO c1nc(N2C[C@@H]3C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000884589315 591989028 /nfs/dbraw/zinc/98/90/28/591989028.db2.gz XYZIVRCSWSTNSG-PHIMTYICSA-N 1 2 230.315 1.533 20 0 BDADLO c1nc(N2CCCC2)cc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884589315 591989030 /nfs/dbraw/zinc/98/90/30/591989030.db2.gz XYZIVRCSWSTNSG-PHIMTYICSA-N 1 2 230.315 1.533 20 0 BDADLO Cc1nc(N[C@H](CO)C[C@@H]2CCCO2)cc[nH+]1 ZINC000884616722 591995220 /nfs/dbraw/zinc/99/52/20/591995220.db2.gz AWOVXXZALRNCQR-QWRGUYRKSA-N 1 2 237.303 1.127 20 0 BDADLO O=S1(=O)CC[C@@H]([N@H+](C/C=C/Cl)C2CC2)C1 ZINC000135209600 591997209 /nfs/dbraw/zinc/99/72/09/591997209.db2.gz PNHKXGVTOZHQHU-XOTMTNNUSA-N 1 2 249.763 1.390 20 0 BDADLO O=S1(=O)CC[C@@H]([N@@H+](C/C=C/Cl)C2CC2)C1 ZINC000135209600 591997212 /nfs/dbraw/zinc/99/72/12/591997212.db2.gz PNHKXGVTOZHQHU-XOTMTNNUSA-N 1 2 249.763 1.390 20 0 BDADLO COc1cc[nH+]cc1COC(=O)COC1CC1 ZINC000884658958 592003790 /nfs/dbraw/zinc/00/37/90/592003790.db2.gz DKRDJMPSFRNMBL-UHFFFAOYSA-N 1 2 237.255 1.312 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC(=O)[C@H]1C ZINC000885058683 592042450 /nfs/dbraw/zinc/04/24/50/592042450.db2.gz MKZVTUYAVHFDFQ-NXEZZACHSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC(=O)[C@H]1C ZINC000885058683 592042452 /nfs/dbraw/zinc/04/24/52/592042452.db2.gz MKZVTUYAVHFDFQ-NXEZZACHSA-N 1 2 249.314 1.168 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(=O)CC[C@@H]2C)[nH+]1 ZINC000885074504 592046637 /nfs/dbraw/zinc/04/66/37/592046637.db2.gz UUGXIHCISBEALF-VIFPVBQESA-N 1 2 249.314 1.095 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1C ZINC000886019581 592132915 /nfs/dbraw/zinc/13/29/15/592132915.db2.gz XECXCHHDKQTDRF-NSHDSACASA-N 1 2 245.330 1.397 20 0 BDADLO O=C1N=NC2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)CCN12 ZINC000886134223 592160337 /nfs/dbraw/zinc/16/03/37/592160337.db2.gz MOWSYTXMFJUALL-MNOVXSKESA-N 1 2 248.330 1.236 20 0 BDADLO O=C1N=NC2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CCN12 ZINC000886134223 592160339 /nfs/dbraw/zinc/16/03/39/592160339.db2.gz MOWSYTXMFJUALL-MNOVXSKESA-N 1 2 248.330 1.236 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886134223 592160341 /nfs/dbraw/zinc/16/03/41/592160341.db2.gz MOWSYTXMFJUALL-MNOVXSKESA-N 1 2 248.330 1.236 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886134223 592160343 /nfs/dbraw/zinc/16/03/43/592160343.db2.gz MOWSYTXMFJUALL-MNOVXSKESA-N 1 2 248.330 1.236 20 0 BDADLO Cc1coc(C[NH2+]Cc2nonc2C)c1 ZINC000886184048 592171776 /nfs/dbraw/zinc/17/17/76/592171776.db2.gz STXJWGVPLNPLIC-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO OC[C@@]1(F)CC[N@H+](CCSC(F)(F)F)C1 ZINC000886193917 592173376 /nfs/dbraw/zinc/17/33/76/592173376.db2.gz FFTMFGZXHAXBLA-SSDOTTSWSA-N 1 2 247.257 1.646 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](CCSC(F)(F)F)C1 ZINC000886193917 592173378 /nfs/dbraw/zinc/17/33/78/592173378.db2.gz FFTMFGZXHAXBLA-SSDOTTSWSA-N 1 2 247.257 1.646 20 0 BDADLO CCn1cc[nH+]c1CN[C@H](C)c1ncco1 ZINC000886273658 592193867 /nfs/dbraw/zinc/19/38/67/592193867.db2.gz DHLGPMBZESZKLO-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ncco2)cn1 ZINC000886274404 592195055 /nfs/dbraw/zinc/19/50/55/592195055.db2.gz SLBNHTQFODJKTG-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)o1 ZINC000886327627 592209287 /nfs/dbraw/zinc/20/92/87/592209287.db2.gz NWAIHTBLBUUBLX-DTORHVGOSA-N 1 2 221.304 1.819 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)o1 ZINC000886327627 592209290 /nfs/dbraw/zinc/20/92/90/592209290.db2.gz NWAIHTBLBUUBLX-DTORHVGOSA-N 1 2 221.304 1.819 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886334251 592211975 /nfs/dbraw/zinc/21/19/75/592211975.db2.gz SYBUVIILRGNXRM-LPEHRKFASA-N 1 2 237.303 1.619 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886334251 592211976 /nfs/dbraw/zinc/21/19/76/592211976.db2.gz SYBUVIILRGNXRM-LPEHRKFASA-N 1 2 237.303 1.619 20 0 BDADLO O=c1[nH]c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)nc2ccccc21 ZINC000886338573 592212176 /nfs/dbraw/zinc/21/21/76/592212176.db2.gz MVZLRRBGXXXVJH-AOOOYVTPSA-N 1 2 241.294 1.787 20 0 BDADLO O=c1[nH]c(C[N@H+]2C[C@@H]3C[C@@H]3C2)nc2ccccc21 ZINC000886338573 592212178 /nfs/dbraw/zinc/21/21/78/592212178.db2.gz MVZLRRBGXXXVJH-AOOOYVTPSA-N 1 2 241.294 1.787 20 0 BDADLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344789 592212931 /nfs/dbraw/zinc/21/29/31/592212931.db2.gz LKSOVNVVHJGLBB-GBIKHYSHSA-N 1 2 249.285 1.992 20 0 BDADLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344789 592212932 /nfs/dbraw/zinc/21/29/32/592212932.db2.gz LKSOVNVVHJGLBB-GBIKHYSHSA-N 1 2 249.285 1.992 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](CO)c1ccccc1C ZINC000886431829 592225162 /nfs/dbraw/zinc/22/51/62/592225162.db2.gz IBMIQBWKYPCEJC-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](CO)c1ccccc1C ZINC000886431829 592225163 /nfs/dbraw/zinc/22/51/63/592225163.db2.gz IBMIQBWKYPCEJC-GFCCVEGCSA-N 1 2 237.299 1.133 20 0 BDADLO Fc1ccccc1C[N@@H+]1CCCn2nncc2C1 ZINC000886447274 592225986 /nfs/dbraw/zinc/22/59/86/592225986.db2.gz DFAIKQXSSHUZEZ-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO Fc1ccccc1C[N@H+]1CCCn2nncc2C1 ZINC000886447274 592225987 /nfs/dbraw/zinc/22/59/87/592225987.db2.gz DFAIKQXSSHUZEZ-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO c1nnn2c1C[N@H+](Cc1ccccn1)CCC2 ZINC000886455122 592226532 /nfs/dbraw/zinc/22/65/32/592226532.db2.gz BBEGSZKVMBYVJO-UHFFFAOYSA-N 1 2 229.287 1.079 20 0 BDADLO c1nnn2c1C[N@@H+](Cc1ccccn1)CCC2 ZINC000886455122 592226533 /nfs/dbraw/zinc/22/65/33/592226533.db2.gz BBEGSZKVMBYVJO-UHFFFAOYSA-N 1 2 229.287 1.079 20 0 BDADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000886527819 592245557 /nfs/dbraw/zinc/24/55/57/592245557.db2.gz AGZYNWYGJDZFDV-RKDXNWHRSA-N 1 2 225.292 1.238 20 0 BDADLO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1ncnn1C ZINC000886599054 592273058 /nfs/dbraw/zinc/27/30/58/592273058.db2.gz PRQVMINNKZJMHS-ONGXEEELSA-N 1 2 243.314 1.548 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C(F)F)C2 ZINC000886630444 592283073 /nfs/dbraw/zinc/28/30/73/592283073.db2.gz DTHGQNSYRYARRD-UHFFFAOYSA-N 1 2 229.230 1.053 20 0 BDADLO COC(=O)N[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000886856424 592368901 /nfs/dbraw/zinc/36/89/01/592368901.db2.gz SWBITGHGOBFDAM-QMMMGPOBSA-N 1 2 241.316 1.073 20 0 BDADLO COC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000886856424 592368906 /nfs/dbraw/zinc/36/89/06/592368906.db2.gz SWBITGHGOBFDAM-QMMMGPOBSA-N 1 2 241.316 1.073 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H](CO)C2)c(C)[nH+]1 ZINC000886880700 592381443 /nfs/dbraw/zinc/38/14/43/592381443.db2.gz ZVBNSWHPVYOMHH-HAQNSBGRSA-N 1 2 248.326 1.508 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)CCO1 ZINC000221093433 592395170 /nfs/dbraw/zinc/39/51/70/592395170.db2.gz ZUIBHESXTSAYRL-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)CCO1 ZINC000221093433 592395176 /nfs/dbraw/zinc/39/51/76/592395176.db2.gz ZUIBHESXTSAYRL-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000221127595 592397983 /nfs/dbraw/zinc/39/79/83/592397983.db2.gz UXPFQCRGHXQKGZ-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000221127595 592397984 /nfs/dbraw/zinc/39/79/84/592397984.db2.gz UXPFQCRGHXQKGZ-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H](NC(=O)c1cccc(F)n1)c1[nH]cc[nH+]1 ZINC000139420043 592399092 /nfs/dbraw/zinc/39/90/92/592399092.db2.gz CFTPESQSSQNRJZ-QMMMGPOBSA-N 1 2 248.261 1.825 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@]12C[C@H]1CCC2 ZINC000887033115 592426812 /nfs/dbraw/zinc/42/68/12/592426812.db2.gz RYYFRGVGCHKOAN-LDYMZIIASA-N 1 2 205.261 1.011 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1([C@@H]2CCCCO2)CC1 ZINC000887083611 592437840 /nfs/dbraw/zinc/43/78/40/592437840.db2.gz FOIKPBNCUYIBML-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC1([C@@H]2CCCCO2)CC1 ZINC000887083611 592437844 /nfs/dbraw/zinc/43/78/44/592437844.db2.gz FOIKPBNCUYIBML-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO OCC1(C[N@H+](CC(F)F)C2CCC2)COC1 ZINC000887100731 592441420 /nfs/dbraw/zinc/44/14/20/592441420.db2.gz OAKORWWHOLFOQK-UHFFFAOYSA-N 1 2 235.274 1.115 20 0 BDADLO OCC1(C[N@@H+](CC(F)F)C2CCC2)COC1 ZINC000887100731 592441422 /nfs/dbraw/zinc/44/14/22/592441422.db2.gz OAKORWWHOLFOQK-UHFFFAOYSA-N 1 2 235.274 1.115 20 0 BDADLO COc1cc2c(cc1O)CC[N@H+](CCF)C2 ZINC000887106600 592444802 /nfs/dbraw/zinc/44/48/02/592444802.db2.gz HBOGWGOENACTED-UHFFFAOYSA-N 1 2 225.263 1.728 20 0 BDADLO COc1cc2c(cc1O)CC[N@@H+](CCF)C2 ZINC000887106600 592444806 /nfs/dbraw/zinc/44/48/06/592444806.db2.gz HBOGWGOENACTED-UHFFFAOYSA-N 1 2 225.263 1.728 20 0 BDADLO CCCc1noc(C[N@H+](C)CCCF)n1 ZINC000887136527 592450418 /nfs/dbraw/zinc/45/04/18/592450418.db2.gz WEJVZDMCWDUQDP-UHFFFAOYSA-N 1 2 215.272 1.814 20 0 BDADLO CCCc1noc(C[N@@H+](C)CCCF)n1 ZINC000887136527 592450420 /nfs/dbraw/zinc/45/04/20/592450420.db2.gz WEJVZDMCWDUQDP-UHFFFAOYSA-N 1 2 215.272 1.814 20 0 BDADLO COC(=O)c1cnoc1C[N@H+](C)CCCF ZINC000887142230 592457429 /nfs/dbraw/zinc/45/74/29/592457429.db2.gz BDFTWCJMLVGRPI-UHFFFAOYSA-N 1 2 230.239 1.253 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+](C)CCCF ZINC000887142230 592457430 /nfs/dbraw/zinc/45/74/30/592457430.db2.gz BDFTWCJMLVGRPI-UHFFFAOYSA-N 1 2 230.239 1.253 20 0 BDADLO C[N@H+](CCCO)Cc1nnc(C(C)(C)C)o1 ZINC000300835829 592521128 /nfs/dbraw/zinc/52/11/28/592521128.db2.gz PPGMNDVOLMOLDU-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO C[N@@H+](CCCO)Cc1nnc(C(C)(C)C)o1 ZINC000300835829 592521131 /nfs/dbraw/zinc/52/11/31/592521131.db2.gz PPGMNDVOLMOLDU-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000302474139 592548562 /nfs/dbraw/zinc/54/85/62/592548562.db2.gz ZXSSHSBNELDMIU-BQBZGAKWSA-N 1 2 247.245 1.619 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N1C[C@@H]2C[C@@H]2C1 ZINC000887876094 592555730 /nfs/dbraw/zinc/55/57/30/592555730.db2.gz COGGZYVYIFOZKO-TXEJJXNPSA-N 1 2 248.330 1.325 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1cncs1 ZINC000889507637 592615957 /nfs/dbraw/zinc/61/59/57/592615957.db2.gz YYTCRAKDAXFUGR-ZETCQYMHSA-N 1 2 236.300 1.286 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)c1cncs1 ZINC000889507637 592615958 /nfs/dbraw/zinc/61/59/58/592615958.db2.gz YYTCRAKDAXFUGR-ZETCQYMHSA-N 1 2 236.300 1.286 20 0 BDADLO C[C@H](Cc1cccnc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000889671236 592641138 /nfs/dbraw/zinc/64/11/38/592641138.db2.gz DTLORJARXQUGFF-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)c1 ZINC000890099606 592678919 /nfs/dbraw/zinc/67/89/19/592678919.db2.gz CNDJADUQBPAPPR-JQWIXIFHSA-N 1 2 233.315 1.473 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)nc1 ZINC000890099938 592679262 /nfs/dbraw/zinc/67/92/62/592679262.db2.gz LQIAIQZDLKYSDK-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CCn1ccc(C(=O)NCc2cn(C)c[nH+]2)c1C ZINC000890099676 592679274 /nfs/dbraw/zinc/67/92/74/592679274.db2.gz FRZUZSSMCMHUKF-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO CCc1cccc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000890103966 592679811 /nfs/dbraw/zinc/67/98/11/592679811.db2.gz FRQWEDMEPCSANC-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCC23CC3)c1 ZINC000890103971 592679945 /nfs/dbraw/zinc/67/99/45/592679945.db2.gz SCRBXZBNJMTMGP-LLVKDONJSA-N 1 2 233.315 1.617 20 0 BDADLO Cc1cocc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890103228 592680167 /nfs/dbraw/zinc/68/01/67/592680167.db2.gz HFZKCLZTCGKUOE-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CC[C@@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890107033 592681545 /nfs/dbraw/zinc/68/15/45/592681545.db2.gz GWSUQKVSLSTGEC-SECBINFHSA-N 1 2 209.293 1.473 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890109515 592683111 /nfs/dbraw/zinc/68/31/11/592683111.db2.gz DBZXDJMKHACUSM-JTQLQIEISA-N 1 2 247.298 1.741 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000890108244 592683213 /nfs/dbraw/zinc/68/32/13/592683213.db2.gz WHEUJHSXAKZZKY-GCZXYKMCSA-N 1 2 247.342 1.863 20 0 BDADLO Cc1cncc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890111001 592684259 /nfs/dbraw/zinc/68/42/59/592684259.db2.gz ZAHORSAPBQNJIJ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110955 592684324 /nfs/dbraw/zinc/68/43/24/592684324.db2.gz XANFLOMDQJBWRA-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2ccsc2)c1 ZINC000890117712 592685164 /nfs/dbraw/zinc/68/51/64/592685164.db2.gz SCHTVQKFEAVWLS-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C(F)(F)F)CC2)c1 ZINC000890114716 592685434 /nfs/dbraw/zinc/68/54/34/592685434.db2.gz WDOLMUDZAUINJW-UHFFFAOYSA-N 1 2 247.220 1.379 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114446 592685968 /nfs/dbraw/zinc/68/59/68/592685968.db2.gz LOLYMZDERLYTLX-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CCNC1=O ZINC000890490532 592701927 /nfs/dbraw/zinc/70/19/27/592701927.db2.gz TUHHJFFTGRDBHP-SNVBAGLBSA-N 1 2 247.298 1.163 20 0 BDADLO C[C@@H]([NH2+]CC(=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000820142573 597718355 /nfs/dbraw/zinc/71/83/55/597718355.db2.gz XFWUTDAAGAUKDO-SNVBAGLBSA-N 1 2 245.282 1.608 20 0 BDADLO C[NH+](C)C(C)(C)C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000310161375 598098723 /nfs/dbraw/zinc/09/87/23/598098723.db2.gz QDQWVWQOUNDIHJ-UHFFFAOYSA-N 1 2 242.363 1.560 20 0 BDADLO FC(F)[C@@H]1CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000931423594 634415119 /nfs/dbraw/zinc/41/51/19/634415119.db2.gz FQZMVNBVMGMUGV-AXFHLTTASA-N 1 2 246.301 1.189 20 0 BDADLO FC(F)[C@@H]1CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000931423594 634415130 /nfs/dbraw/zinc/41/51/30/634415130.db2.gz FQZMVNBVMGMUGV-AXFHLTTASA-N 1 2 246.301 1.189 20 0 BDADLO CCCNc1cc(NCCC(C)(C)O)nc[nH+]1 ZINC000310109350 634527420 /nfs/dbraw/zinc/52/74/20/634527420.db2.gz QLOLMNFFESTGMU-UHFFFAOYSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NCCC(C)(C)O)[nH+]cn1 ZINC000310109350 634527425 /nfs/dbraw/zinc/52/74/25/634527425.db2.gz QLOLMNFFESTGMU-UHFFFAOYSA-N 1 2 238.335 1.871 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3nonc3C)C2)no1 ZINC000931940516 635482846 /nfs/dbraw/zinc/48/28/46/635482846.db2.gz LFPAJBFHYYFAFH-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3nonc3C)C2)no1 ZINC000931940516 635482851 /nfs/dbraw/zinc/48/28/51/635482851.db2.gz LFPAJBFHYYFAFH-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO C[C@H](c1nc(Cc2cnccn2)no1)[NH+](C)C ZINC000924034899 635616750 /nfs/dbraw/zinc/61/67/50/635616750.db2.gz NADHVOHJPNXLES-MRVPVSSYSA-N 1 2 233.275 1.073 20 0 BDADLO Cc1noc(C)c1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308391071 631252204 /nfs/dbraw/zinc/25/22/04/631252204.db2.gz LFJCYHZPOSENNB-UHFFFAOYSA-N 1 2 246.270 1.199 20 0 BDADLO CCC1(C(=O)NCc2ccc(N)[nH+]c2)CC1 ZINC000308395055 631253338 /nfs/dbraw/zinc/25/33/38/631253338.db2.gz XDDBKMQHBDZMRI-UHFFFAOYSA-N 1 2 219.288 1.470 20 0 BDADLO C[C@@H](C(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000308391470 631309884 /nfs/dbraw/zinc/30/98/84/631309884.db2.gz MRIKSIQNSLUMRS-MRVPVSSYSA-N 1 2 219.288 1.326 20 0 BDADLO CC(C)[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308393979 631310142 /nfs/dbraw/zinc/31/01/42/631310142.db2.gz UIAWPXOTJWZDFE-VIFPVBQESA-N 1 2 221.304 1.572 20 0 BDADLO CNc1cc(NCCOC(C)(C)C)[nH+]cn1 ZINC000308536342 631328419 /nfs/dbraw/zinc/32/84/19/631328419.db2.gz DVPMODIXMJIRSR-UHFFFAOYSA-N 1 2 224.308 1.745 20 0 BDADLO c1snnc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933384511 631346151 /nfs/dbraw/zinc/34/61/51/631346151.db2.gz CAOXLDAKZHCOOK-GZMMTYOYSA-N 1 2 237.328 1.339 20 0 BDADLO CCCCCC[NH+]1CCS(=O)CC1 ZINC000157906980 631347603 /nfs/dbraw/zinc/34/76/03/631347603.db2.gz YQNGHEAWGXUICU-UHFFFAOYSA-N 1 2 203.351 1.631 20 0 BDADLO CCc1nnc(C[NH2+][C@]23C[C@H]2COC32CCC2)o1 ZINC000933394173 631358124 /nfs/dbraw/zinc/35/81/24/631358124.db2.gz PRHYQGOCPAEXQP-TVQRCGJNSA-N 1 2 249.314 1.433 20 0 BDADLO COC[C@H](C)C[NH2+]c1ccc(N)c(OC)c1 ZINC000082523649 631404276 /nfs/dbraw/zinc/40/42/76/631404276.db2.gz DYZIKPDXOCPCEX-SECBINFHSA-N 1 2 224.304 1.972 20 0 BDADLO CNc1cc(NCc2cc(C)no2)nc[nH+]1 ZINC000087825231 631482083 /nfs/dbraw/zinc/48/20/83/631482083.db2.gz KQGLVHNVRCWMQT-UHFFFAOYSA-N 1 2 219.248 1.427 20 0 BDADLO CNc1cc(NCc2cc(C)no2)[nH+]cn1 ZINC000087825231 631482095 /nfs/dbraw/zinc/48/20/95/631482095.db2.gz KQGLVHNVRCWMQT-UHFFFAOYSA-N 1 2 219.248 1.427 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1noc2c1CCCC2 ZINC000934023542 631623518 /nfs/dbraw/zinc/62/35/18/631623518.db2.gz IBRHZJCNKRTGFZ-VIFPVBQESA-N 1 2 222.288 1.120 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1noc2c1CCCC2 ZINC000934023542 631623521 /nfs/dbraw/zinc/62/35/21/631623521.db2.gz IBRHZJCNKRTGFZ-VIFPVBQESA-N 1 2 222.288 1.120 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1F ZINC000934028473 631626893 /nfs/dbraw/zinc/62/68/93/631626893.db2.gz VDJWHCIHLKMMSK-SNVBAGLBSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cc(F)ccc1F ZINC000934028473 631626895 /nfs/dbraw/zinc/62/68/95/631626895.db2.gz VDJWHCIHLKMMSK-SNVBAGLBSA-N 1 2 213.227 1.531 20 0 BDADLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934028590 631629842 /nfs/dbraw/zinc/62/98/42/631629842.db2.gz YTEHYHQQECRCAK-LLVKDONJSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934028590 631629852 /nfs/dbraw/zinc/62/98/52/631629852.db2.gz YTEHYHQQECRCAK-LLVKDONJSA-N 1 2 234.299 1.000 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1(O)CCCCC1)C1CC1 ZINC000234557034 631637408 /nfs/dbraw/zinc/63/74/08/631637408.db2.gz MUMZDHWWIBWCKJ-LLVKDONJSA-N 1 2 241.331 1.223 20 0 BDADLO C[C@H](O)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934038787 631637623 /nfs/dbraw/zinc/63/76/23/631637623.db2.gz GJBNCLUXJDXQDN-VIFPVBQESA-N 1 2 247.298 1.406 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nccc(C)n1 ZINC000934113508 631687395 /nfs/dbraw/zinc/68/73/95/631687395.db2.gz BCUSDOXTSFRXQF-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nccc(C)n1 ZINC000934113508 631687403 /nfs/dbraw/zinc/68/74/03/631687403.db2.gz BCUSDOXTSFRXQF-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nccn1C(F)F ZINC000934123526 631703180 /nfs/dbraw/zinc/70/31/80/631703180.db2.gz LRDQDGDWSDWLPM-RKDXNWHRSA-N 1 2 245.273 1.887 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nccn1C(F)F ZINC000934123526 631703183 /nfs/dbraw/zinc/70/31/83/631703183.db2.gz LRDQDGDWSDWLPM-RKDXNWHRSA-N 1 2 245.273 1.887 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cncs1 ZINC000934194519 631725882 /nfs/dbraw/zinc/72/58/82/631725882.db2.gz XVTWCYQYSUSCMP-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1cn(C)cn1 ZINC000308933085 631745672 /nfs/dbraw/zinc/74/56/72/631745672.db2.gz RVFXTDPNVLSDEA-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO C[C@H]1CSCCC[N@@H+]1Cc1csnn1 ZINC000934297324 631762558 /nfs/dbraw/zinc/76/25/58/631762558.db2.gz GDKZJBCVRPSROC-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CSCCC[N@H+]1Cc1csnn1 ZINC000934297324 631762561 /nfs/dbraw/zinc/76/25/61/631762561.db2.gz GDKZJBCVRPSROC-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO Clc1nccnc1NCCCn1cc[nH+]c1 ZINC000043537079 631804964 /nfs/dbraw/zinc/80/49/64/631804964.db2.gz YADPHXOAWGBODQ-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000309055716 631830374 /nfs/dbraw/zinc/83/03/74/631830374.db2.gz UHSSFOIMFJDAMF-LPEHRKFASA-N 1 2 229.345 1.566 20 0 BDADLO COc1cccc(C[NH2+]Cc2cnc[nH]2)c1OC ZINC000112341646 631883093 /nfs/dbraw/zinc/88/30/93/631883093.db2.gz PRSGCKGVVHSGIA-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@H]1F ZINC000934585038 631956864 /nfs/dbraw/zinc/95/68/64/631956864.db2.gz SLFCNWWRGZTCSK-VXGBXAGGSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1F ZINC000934585038 631956868 /nfs/dbraw/zinc/95/68/68/631956868.db2.gz SLFCNWWRGZTCSK-VXGBXAGGSA-N 1 2 227.254 1.730 20 0 BDADLO CC[NH2+]Cc1noc(COc2ccccc2)n1 ZINC000051860550 631971172 /nfs/dbraw/zinc/97/11/72/631971172.db2.gz HQTXRRODSVAGQL-UHFFFAOYSA-N 1 2 233.271 1.758 20 0 BDADLO Cc1ccc(NC(=O)NC2CC2)c(N(C)C)[nH+]1 ZINC000162189279 632539899 /nfs/dbraw/zinc/53/98/99/632539899.db2.gz GWNYIDVKGBSURJ-UHFFFAOYSA-N 1 2 234.303 1.740 20 0 BDADLO CC1(C)C[N@H+](CCF)C[C@@H]1NC(=O)C(F)F ZINC000972712392 632643758 /nfs/dbraw/zinc/64/37/58/632643758.db2.gz MLSIFNWLLBBCPZ-ZETCQYMHSA-N 1 2 238.253 1.048 20 0 BDADLO CC1(C)C[N@@H+](CCF)C[C@@H]1NC(=O)C(F)F ZINC000972712392 632643762 /nfs/dbraw/zinc/64/37/62/632643762.db2.gz MLSIFNWLLBBCPZ-ZETCQYMHSA-N 1 2 238.253 1.048 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC000972744850 632654366 /nfs/dbraw/zinc/65/43/66/632654366.db2.gz YXYIDHWOQVUWEF-VIFPVBQESA-N 1 2 248.317 1.531 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC000972744850 632654373 /nfs/dbraw/zinc/65/43/73/632654373.db2.gz YXYIDHWOQVUWEF-VIFPVBQESA-N 1 2 248.317 1.531 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000310022988 632695192 /nfs/dbraw/zinc/69/51/92/632695192.db2.gz OEBWFBHFBSFHOU-NSHDSACASA-N 1 2 229.320 1.080 20 0 BDADLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC(O)C1 ZINC000935382645 632732486 /nfs/dbraw/zinc/73/24/86/632732486.db2.gz JGDUBEAIAQXIDZ-UHFFFAOYSA-N 1 2 245.282 1.158 20 0 BDADLO CC[C@H]1CN(c2nccn3c[nH+]cc23)C[C@@H](C)O1 ZINC000892462221 632732630 /nfs/dbraw/zinc/73/26/30/632732630.db2.gz MUDKQICBKXVSCH-MNOVXSKESA-N 1 2 246.314 1.733 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1CC=CC1 ZINC000179516590 632741072 /nfs/dbraw/zinc/74/10/72/632741072.db2.gz XXZVWIOMTRHQQY-LLVKDONJSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccco2)CC[N@@H+]1C ZINC000074755157 632841069 /nfs/dbraw/zinc/84/10/69/632841069.db2.gz SPMYKNQMHCXENQ-SECBINFHSA-N 1 2 208.261 1.056 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccco2)CC[N@H+]1C ZINC000074755157 632841071 /nfs/dbraw/zinc/84/10/71/632841071.db2.gz SPMYKNQMHCXENQ-SECBINFHSA-N 1 2 208.261 1.056 20 0 BDADLO COCCC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000309259734 632852643 /nfs/dbraw/zinc/85/26/43/632852643.db2.gz HOBUXPALLBBWPW-UHFFFAOYSA-N 1 2 241.316 1.065 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1cccs1 ZINC000066495897 632923470 /nfs/dbraw/zinc/92/34/70/632923470.db2.gz KCUNPYIKNSPGON-UHFFFAOYSA-N 1 2 227.329 1.832 20 0 BDADLO C[C@H]1C[C@H]([NH2+]CC(C)(C)F)c2ncnn21 ZINC000926779096 633047070 /nfs/dbraw/zinc/04/70/70/633047070.db2.gz GSNIAJOUZKKTNM-YUMQZZPRSA-N 1 2 212.272 1.622 20 0 BDADLO CNc1cc(N2CCC3(C2)CCOCC3)nc[nH+]1 ZINC000311013117 633047877 /nfs/dbraw/zinc/04/78/77/633047877.db2.gz RSZHZQKAMMPGRJ-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CNc1cc(N2CCC3(C2)CCOCC3)[nH+]cn1 ZINC000311013117 633047880 /nfs/dbraw/zinc/04/78/80/633047880.db2.gz RSZHZQKAMMPGRJ-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000892675351 633087877 /nfs/dbraw/zinc/08/78/77/633087877.db2.gz ABCUCVULXFMNHC-ZETCQYMHSA-N 1 2 212.249 1.024 20 0 BDADLO Nc1cc(COC(=O)C2=COCC2)cc[nH+]1 ZINC000309559412 633200256 /nfs/dbraw/zinc/20/02/56/633200256.db2.gz NSVVUYUOCNTAGF-UHFFFAOYSA-N 1 2 220.228 1.011 20 0 BDADLO Cc1nc(NC2COC(C)(C)OC2)cc[nH+]1 ZINC000309612807 633211367 /nfs/dbraw/zinc/21/13/67/633211367.db2.gz ASAFSZUVVBHBFW-UHFFFAOYSA-N 1 2 223.276 1.348 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)cn1 ZINC000895118560 636068285 /nfs/dbraw/zinc/06/82/85/636068285.db2.gz KTSFAXRGVGDKQE-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)cn1 ZINC000895118560 636068289 /nfs/dbraw/zinc/06/82/89/636068289.db2.gz KTSFAXRGVGDKQE-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ncco1 ZINC000926863094 633729219 /nfs/dbraw/zinc/72/92/19/633729219.db2.gz CFIHZDGCUIBBLH-ONGXEEELSA-N 1 2 249.314 1.336 20 0 BDADLO CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001025641726 633730024 /nfs/dbraw/zinc/73/00/24/633730024.db2.gz QNNCRLUGPNRMBW-DMHGUBFPSA-N 1 2 249.141 1.372 20 0 BDADLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001025641726 633730036 /nfs/dbraw/zinc/73/00/36/633730036.db2.gz QNNCRLUGPNRMBW-DMHGUBFPSA-N 1 2 249.141 1.372 20 0 BDADLO C[C@@H]1OCCN(c2cc(N(C)C)[nH+]cn2)[C@H]1C ZINC000892942196 633750254 /nfs/dbraw/zinc/75/02/54/633750254.db2.gz UBRDJAQAHCMJKR-UWVGGRQHSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@@H]1OCCN(c2cc(N(C)C)nc[nH+]2)[C@H]1C ZINC000892942196 633750265 /nfs/dbraw/zinc/75/02/65/633750265.db2.gz UBRDJAQAHCMJKR-UWVGGRQHSA-N 1 2 236.319 1.156 20 0 BDADLO CCc1nc(C[NH2+][C@@H](C)C(OC)OC)cs1 ZINC000328413664 633763437 /nfs/dbraw/zinc/76/34/37/633763437.db2.gz XWKGVHVQVPAYBE-QMMMGPOBSA-N 1 2 244.360 1.803 20 0 BDADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1c(F)cncc1F ZINC000930529674 633873806 /nfs/dbraw/zinc/87/38/06/633873806.db2.gz FLSJPDNQJVTZJW-LLVKDONJSA-N 1 2 242.269 1.705 20 0 BDADLO CC1(C)[C@H](O)CC[N@H+]1Cc1c(F)cncc1F ZINC000930529674 633873811 /nfs/dbraw/zinc/87/38/11/633873811.db2.gz FLSJPDNQJVTZJW-LLVKDONJSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@H](c1nc([C@H]2CC23CC3)no1)[NH+](C)C ZINC000924099580 633874522 /nfs/dbraw/zinc/87/45/22/633874522.db2.gz IPMYMNWXOJZRIJ-HTQZYQBOSA-N 1 2 207.277 1.960 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2COC[C@@H]2C)c(C)c[nH+]1 ZINC000930625582 633952802 /nfs/dbraw/zinc/95/28/02/633952802.db2.gz ISEUBNIPVINORV-JOYOIKCWSA-N 1 2 249.314 1.277 20 0 BDADLO Cc1nc(NCc2cccnc2F)cc[nH+]1 ZINC000309695702 633990451 /nfs/dbraw/zinc/99/04/51/633990451.db2.gz KZKKQYAZPMVFFW-UHFFFAOYSA-N 1 2 218.235 1.931 20 0 BDADLO C[C@H](Nc1nccs1)[C@H](C)[NH+]1CCOCC1 ZINC000309736737 633999497 /nfs/dbraw/zinc/99/94/97/633999497.db2.gz CMIVACRBSTXLDT-UWVGGRQHSA-N 1 2 241.360 1.664 20 0 BDADLO CC1(CC(=O)OCc2cc[nH+]c(N)c2)COC1 ZINC000924117215 634016894 /nfs/dbraw/zinc/01/68/94/634016894.db2.gz KRWWCJISKCABEE-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO C[C@H](O)[C@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705409 634052422 /nfs/dbraw/zinc/05/24/22/634052422.db2.gz QMWHILCYILOTQR-QPUJVOFHSA-N 1 2 241.718 1.397 20 0 BDADLO C[C@H](O)[C@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705409 634052430 /nfs/dbraw/zinc/05/24/30/634052430.db2.gz QMWHILCYILOTQR-QPUJVOFHSA-N 1 2 241.718 1.397 20 0 BDADLO CC1CC(C[N@@H+]2CCOC[C@@H]2c2ccnn2C)C1 ZINC000930864515 634141344 /nfs/dbraw/zinc/14/13/44/634141344.db2.gz NAPQJZWNKPSVTL-ORHYLEIMSA-N 1 2 249.358 1.840 20 0 BDADLO CC1CC(C[N@H+]2CCOC[C@@H]2c2ccnn2C)C1 ZINC000930864515 634141349 /nfs/dbraw/zinc/14/13/49/634141349.db2.gz NAPQJZWNKPSVTL-ORHYLEIMSA-N 1 2 249.358 1.840 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC001027710432 635120443 /nfs/dbraw/zinc/12/04/43/635120443.db2.gz SYEGLWHGGMSZFD-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC001027710432 635120449 /nfs/dbraw/zinc/12/04/49/635120449.db2.gz SYEGLWHGGMSZFD-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CNc1cc(N(C)Cc2cnn(C)c2C)nc[nH+]1 ZINC000893580629 635183778 /nfs/dbraw/zinc/18/37/78/635183778.db2.gz PDFQKIVABPZCII-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO CNc1cc(N(C)Cc2cnn(C)c2C)[nH+]cn1 ZINC000893580629 635183784 /nfs/dbraw/zinc/18/37/84/635183784.db2.gz PDFQKIVABPZCII-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO O=C(C1CCC1)N1CCC[N@@H+](CCF)CC1 ZINC000980601291 635242472 /nfs/dbraw/zinc/24/24/72/635242472.db2.gz ZZIFIXQUXSEHQY-UHFFFAOYSA-N 1 2 228.311 1.290 20 0 BDADLO O=C(C1CCC1)N1CCC[N@H+](CCF)CC1 ZINC000980601291 635242480 /nfs/dbraw/zinc/24/24/80/635242480.db2.gz ZZIFIXQUXSEHQY-UHFFFAOYSA-N 1 2 228.311 1.290 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980991026 635308249 /nfs/dbraw/zinc/30/82/49/635308249.db2.gz GWAOLSBGHVZLER-NSHDSACASA-N 1 2 242.338 1.536 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980991026 635308253 /nfs/dbraw/zinc/30/82/53/635308253.db2.gz GWAOLSBGHVZLER-NSHDSACASA-N 1 2 242.338 1.536 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC[N@@H+](CCF)CC1 ZINC000982028774 635474273 /nfs/dbraw/zinc/47/42/73/635474273.db2.gz FYIRGQLNIMYUNC-LLVKDONJSA-N 1 2 240.322 1.290 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC[N@H+](CCF)CC1 ZINC000982028774 635474277 /nfs/dbraw/zinc/47/42/77/635474277.db2.gz FYIRGQLNIMYUNC-LLVKDONJSA-N 1 2 240.322 1.290 20 0 BDADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000932057494 635548068 /nfs/dbraw/zinc/54/80/68/635548068.db2.gz QZKISWDKBGPGPS-GRYCIOLGSA-N 1 2 249.314 1.041 20 0 BDADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000932057494 635548072 /nfs/dbraw/zinc/54/80/72/635548072.db2.gz QZKISWDKBGPGPS-GRYCIOLGSA-N 1 2 249.314 1.041 20 0 BDADLO CCc1ocnc1C(=O)NCc1ccc(N)[nH+]c1 ZINC000927779046 635749081 /nfs/dbraw/zinc/74/90/81/635749081.db2.gz SAKFJMKATWQJTO-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+]C1(CO)CCCC1 ZINC000179062847 636273048 /nfs/dbraw/zinc/27/30/48/636273048.db2.gz CFSAZYKKBNXJNS-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(C)nc(Cl)c1 ZINC000320572095 636277726 /nfs/dbraw/zinc/27/77/26/636277726.db2.gz NMBXUKFBZSACBI-UHFFFAOYSA-N 1 2 241.722 1.351 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(C)nc(Cl)c1 ZINC000320572095 636277732 /nfs/dbraw/zinc/27/77/32/636277732.db2.gz NMBXUKFBZSACBI-UHFFFAOYSA-N 1 2 241.722 1.351 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000082797686 636447928 /nfs/dbraw/zinc/44/79/28/636447928.db2.gz DRGXLNHRFJYOTC-JTQLQIEISA-N 1 2 219.284 1.779 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000082797686 636447932 /nfs/dbraw/zinc/44/79/32/636447932.db2.gz DRGXLNHRFJYOTC-JTQLQIEISA-N 1 2 219.284 1.779 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889612672 636537939 /nfs/dbraw/zinc/53/79/39/636537939.db2.gz QKGIYWDOJVRUAE-IJLUTSLNSA-N 1 2 245.326 1.798 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)CCn1cc[nH+]c1 ZINC000928933758 636541551 /nfs/dbraw/zinc/54/15/51/636541551.db2.gz FFNHNNMZUIYPFD-PLNGDYQASA-N 1 2 241.722 1.921 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)OC(C)(C)C ZINC000925281808 636709449 /nfs/dbraw/zinc/70/94/49/636709449.db2.gz MGWVLHSYULGQFO-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO COc1ccc2c(c1)C[C@H](C[NH+]1CCOCC1)O2 ZINC000929123987 636812270 /nfs/dbraw/zinc/81/22/70/636812270.db2.gz GHCIBSAIYUYGJI-CYBMUJFWSA-N 1 2 249.310 1.331 20 0 BDADLO CC(=O)c1cccc(CO[NH+]=C(N)CCO)c1 ZINC000842040868 636821997 /nfs/dbraw/zinc/82/19/97/636821997.db2.gz OLTHQXNWWFETFT-UHFFFAOYSA-N 1 2 236.271 1.270 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046887579 636873061 /nfs/dbraw/zinc/87/30/61/636873061.db2.gz QBCISPUDTJHMPL-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCCc1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923801552 637018812 /nfs/dbraw/zinc/01/88/12/637018812.db2.gz VRMNXWZIIMECJL-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO CCCc1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923801552 637018823 /nfs/dbraw/zinc/01/88/23/637018823.db2.gz VRMNXWZIIMECJL-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)(CNC(=O)[C@H]1CC1(F)F)n1cc[nH+]c1 ZINC000898909217 637064414 /nfs/dbraw/zinc/06/44/14/637064414.db2.gz KTPLXIUUHYXMIE-MRVPVSSYSA-N 1 2 243.257 1.390 20 0 BDADLO COc1ccnc([C@@H](C)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000924746214 637067448 /nfs/dbraw/zinc/06/74/48/637067448.db2.gz FKHGDDPDPSXCRJ-VXGBXAGGSA-N 1 2 249.358 1.835 20 0 BDADLO COc1ccnc([C@@H](C)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000924746214 637067457 /nfs/dbraw/zinc/06/74/57/637067457.db2.gz FKHGDDPDPSXCRJ-VXGBXAGGSA-N 1 2 249.358 1.835 20 0 BDADLO CCC/C=C/[C@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900917562 637203976 /nfs/dbraw/zinc/20/39/76/637203976.db2.gz CZDKQFASLDWFFR-QRGHLMKCSA-N 1 2 237.303 1.052 20 0 BDADLO C/C(=C(/F)C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000900918313 637205006 /nfs/dbraw/zinc/20/50/06/637205006.db2.gz GQSIQFVVCUINMT-XFFZJAGNSA-N 1 2 237.278 1.988 20 0 BDADLO CC[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901008150 637219108 /nfs/dbraw/zinc/21/91/08/637219108.db2.gz GKIUKEXVGCSBCL-NSHDSACASA-N 1 2 233.315 1.752 20 0 BDADLO C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C(=O)[O-] ZINC000904216669 637393199 /nfs/dbraw/zinc/39/31/99/637393199.db2.gz XBNROOSNNJQRLO-JTQLQIEISA-N 1 2 237.303 1.336 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927407804 637393755 /nfs/dbraw/zinc/39/37/55/637393755.db2.gz ZYUMHGHIEYDESB-MNOVXSKESA-N 1 2 233.315 1.505 20 0 BDADLO CCNc1cc(CNC(=O)C(C)(F)F)cc[nH+]1 ZINC000905152737 637637459 /nfs/dbraw/zinc/63/74/59/637637459.db2.gz HPDPJNDZMILDSZ-UHFFFAOYSA-N 1 2 243.257 1.785 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)C/C=C/Cl ZINC000905186904 637669556 /nfs/dbraw/zinc/66/95/56/637669556.db2.gz GZLAKOIVDUVGRL-YWVDXFKGSA-N 1 2 218.709 1.421 20 0 BDADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)C1(O)CCCC1 ZINC000905260473 637716049 /nfs/dbraw/zinc/71/60/49/637716049.db2.gz BWWNOMGXUPXNMZ-ZJUUUORDSA-N 1 2 249.301 1.430 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@@H](C(=O)OC)[C@H](C)CC)C1 ZINC000905771757 637926734 /nfs/dbraw/zinc/92/67/34/637926734.db2.gz KPTBRCYFQLONDP-WISYIIOYSA-N 1 2 243.347 1.731 20 0 BDADLO COC(C)(C)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815561 637942336 /nfs/dbraw/zinc/94/23/36/637942336.db2.gz KIGUBVMFGSXPBP-UHFFFAOYSA-N 1 2 247.302 1.185 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCc1cn(C)c[nH+]1 ZINC000905933078 637979103 /nfs/dbraw/zinc/97/91/03/637979103.db2.gz IRAOHLPMOOXUQJ-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO CC1(C)C[NH+](CC[S@](=O)C(F)(F)F)C1 ZINC000905953375 638001979 /nfs/dbraw/zinc/00/19/79/638001979.db2.gz ZWQMVFHKJIKWPQ-AWEZNQCLSA-N 1 2 229.267 1.597 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCC[C@H](O)C2)c(C)[nH+]1 ZINC000906044723 638033947 /nfs/dbraw/zinc/03/39/47/638033947.db2.gz OIANNPDVXALSJS-LBPRGKRZSA-N 1 2 248.326 1.604 20 0 BDADLO Cc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)co1 ZINC000802238375 638065656 /nfs/dbraw/zinc/06/56/56/638065656.db2.gz HPNOCUQYHDJMRB-LLVKDONJSA-N 1 2 241.262 1.789 20 0 BDADLO Cc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)co1 ZINC000802238375 638065670 /nfs/dbraw/zinc/06/56/70/638065670.db2.gz HPNOCUQYHDJMRB-LLVKDONJSA-N 1 2 241.262 1.789 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(C2CC2)CCC1 ZINC000906640100 638226135 /nfs/dbraw/zinc/22/61/35/638226135.db2.gz QWGUFNAEXHZPJI-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1Cc2ccccc2C1 ZINC000907387263 638369372 /nfs/dbraw/zinc/36/93/72/638369372.db2.gz MERJHKIQAVPWHI-UHFFFAOYSA-N 1 2 241.294 1.236 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)CNc1cccc[nH+]1 ZINC000907876221 638496545 /nfs/dbraw/zinc/49/65/45/638496545.db2.gz VSWAPXRANHPPEW-AOOOYVTPSA-N 1 2 219.288 1.503 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907909602 638508440 /nfs/dbraw/zinc/50/84/40/638508440.db2.gz AVEGUIFYTOSWGG-NXEZZACHSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907971985 638530903 /nfs/dbraw/zinc/53/09/03/638530903.db2.gz DWHJBTDDYXZHIR-NXEZZACHSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H]1CCC[C@H](C)N1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907998831 638535816 /nfs/dbraw/zinc/53/58/16/638535816.db2.gz YKGKISDUNIBXTF-UWVGGRQHSA-N 1 2 236.319 1.246 20 0 BDADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)C(F)(F)F ZINC000908227138 638605067 /nfs/dbraw/zinc/60/50/67/638605067.db2.gz WPMCAWSIQKTHLQ-SSDOTTSWSA-N 1 2 247.220 1.561 20 0 BDADLO CC(C)(CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000908446618 638718812 /nfs/dbraw/zinc/71/88/12/638718812.db2.gz AEEJVOOFQGPMJC-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCc2nccnc2C1 ZINC000668734859 639085405 /nfs/dbraw/zinc/08/54/05/639085405.db2.gz BEHWQCZURVQZPF-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ccoc1C[N@H+]1CCc2nccnc2C1 ZINC000668734859 639085407 /nfs/dbraw/zinc/08/54/07/639085407.db2.gz BEHWQCZURVQZPF-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1cccnc1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908948737 639099667 /nfs/dbraw/zinc/09/96/67/639099667.db2.gz GZHNOYAJYRVZHR-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CCn1cc([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000909285899 639196087 /nfs/dbraw/zinc/19/60/87/639196087.db2.gz QGFRBLMSRDSBJI-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC=CC2)c[nH+]1 ZINC000910023917 639316065 /nfs/dbraw/zinc/31/60/65/639316065.db2.gz VRFSGPJMMBXMML-UHFFFAOYSA-N 1 2 219.288 1.325 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H]2O)c(C)[nH+]1 ZINC000911300413 639615463 /nfs/dbraw/zinc/61/54/63/639615463.db2.gz MXZRBPHTKIJWRI-GHMZBOCLSA-N 1 2 234.299 1.260 20 0 BDADLO COC1(C)CC[NH+](Cc2nncs2)CC1 ZINC000930234053 639642363 /nfs/dbraw/zinc/64/23/63/639642363.db2.gz BBHMEYLVQZIREN-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@H](C)C(=O)OC ZINC000930287104 639678911 /nfs/dbraw/zinc/67/89/11/639678911.db2.gz GLPSGNJZCUSLOS-OLKPEBQYSA-N 1 2 215.293 1.072 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@H](C)C(=O)OC ZINC000930287104 639678918 /nfs/dbraw/zinc/67/89/18/639678918.db2.gz GLPSGNJZCUSLOS-OLKPEBQYSA-N 1 2 215.293 1.072 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@H](C)C(=O)OC ZINC000930287103 639679569 /nfs/dbraw/zinc/67/95/69/639679569.db2.gz GLPSGNJZCUSLOS-ABRRARGCSA-N 1 2 215.293 1.072 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@H](C)C(=O)OC ZINC000930287103 639679578 /nfs/dbraw/zinc/67/95/78/639679578.db2.gz GLPSGNJZCUSLOS-ABRRARGCSA-N 1 2 215.293 1.072 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930308356 639695481 /nfs/dbraw/zinc/69/54/81/639695481.db2.gz XUHLXCXNPMRSIC-SGMGOOAPSA-N 1 2 246.310 1.201 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930308356 639695484 /nfs/dbraw/zinc/69/54/84/639695484.db2.gz XUHLXCXNPMRSIC-SGMGOOAPSA-N 1 2 246.310 1.201 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000930327851 639709798 /nfs/dbraw/zinc/70/97/98/639709798.db2.gz LWIZPBPFRVMQOS-RPHDBTCBSA-N 1 2 241.331 1.070 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCOC[C@@]12CCOC2 ZINC000930327851 639709803 /nfs/dbraw/zinc/70/98/03/639709803.db2.gz LWIZPBPFRVMQOS-RPHDBTCBSA-N 1 2 241.331 1.070 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)NCC2(C)C)c1 ZINC000930339556 639715456 /nfs/dbraw/zinc/71/54/56/639715456.db2.gz ZCIGHOVPJNUJNF-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)C1(C)CC1 ZINC000911718660 639742597 /nfs/dbraw/zinc/74/25/97/639742597.db2.gz JETTZVRKAWPRNX-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930463078 639765689 /nfs/dbraw/zinc/76/56/89/639765689.db2.gz SDILWXNGSCVSEJ-FPMFFAJLSA-N 1 2 246.310 1.201 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930463078 639765691 /nfs/dbraw/zinc/76/56/91/639765691.db2.gz SDILWXNGSCVSEJ-FPMFFAJLSA-N 1 2 246.310 1.201 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](F)C2)c(C)nn1 ZINC000930602580 639817605 /nfs/dbraw/zinc/81/76/05/639817605.db2.gz ADXQTJDISCZEHI-LLVKDONJSA-N 1 2 209.268 1.637 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](F)C2)c(C)nn1 ZINC000930602580 639817606 /nfs/dbraw/zinc/81/76/06/639817606.db2.gz ADXQTJDISCZEHI-LLVKDONJSA-N 1 2 209.268 1.637 20 0 BDADLO COC[C@]1(C)CC[N@H+](Cc2nncs2)C1 ZINC000930603040 639817660 /nfs/dbraw/zinc/81/76/60/639817660.db2.gz HHTOFUPJGJNXSU-SNVBAGLBSA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@]1(C)CC[N@@H+](Cc2nncs2)C1 ZINC000930603040 639817661 /nfs/dbraw/zinc/81/76/61/639817661.db2.gz HHTOFUPJGJNXSU-SNVBAGLBSA-N 1 2 227.333 1.397 20 0 BDADLO CC(=O)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000930627999 639829793 /nfs/dbraw/zinc/82/97/93/639829793.db2.gz WEOFHRUPDOZDLP-SNVBAGLBSA-N 1 2 233.315 1.839 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000930641516 639839461 /nfs/dbraw/zinc/83/94/61/639839461.db2.gz QUSCESYRIGLTCZ-IRCOFANPSA-N 1 2 243.347 1.731 20 0 BDADLO COCCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930875916 639966227 /nfs/dbraw/zinc/96/62/27/639966227.db2.gz PHGRFGRAKXGBEX-LLVKDONJSA-N 1 2 215.293 1.097 20 0 BDADLO CC(C)OCCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930878826 639967193 /nfs/dbraw/zinc/96/71/93/639967193.db2.gz ZDRUVCQACGGIMI-ZDUSSCGKSA-N 1 2 243.347 1.875 20 0 BDADLO CO[C@H]1CN(Cc2cc(C)cc(C)[nH+]2)CCO1 ZINC000931035784 640028419 /nfs/dbraw/zinc/02/84/19/640028419.db2.gz VWKZOCANLBMJSY-CYBMUJFWSA-N 1 2 236.315 1.503 20 0 BDADLO Cc1conc1C[N@@H+]1CCNC(=O)CC1(C)C ZINC000931200922 640099039 /nfs/dbraw/zinc/09/90/39/640099039.db2.gz GDLCZJTZOQYTOO-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1conc1C[N@H+]1CCNC(=O)CC1(C)C ZINC000931200922 640099040 /nfs/dbraw/zinc/09/90/40/640099040.db2.gz GDLCZJTZOQYTOO-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912583752 640122310 /nfs/dbraw/zinc/12/23/10/640122310.db2.gz FGPOXPYQSIKBRD-CHDHTGKKSA-N 1 2 223.251 1.708 20 0 BDADLO COC/C(C)=C\C[N@@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931312567 640148141 /nfs/dbraw/zinc/14/81/41/640148141.db2.gz VTQCCKBIRJRMKD-WTKPLQERSA-N 1 2 249.314 1.399 20 0 BDADLO COC/C(C)=C\C[N@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931312567 640148149 /nfs/dbraw/zinc/14/81/49/640148149.db2.gz VTQCCKBIRJRMKD-WTKPLQERSA-N 1 2 249.314 1.399 20 0 BDADLO FC(F)[C@H]1CCN1CCn1cc[nH+]c1 ZINC000931424777 640179527 /nfs/dbraw/zinc/17/95/27/640179527.db2.gz LENFHLPAFLCGSM-MRVPVSSYSA-N 1 2 201.220 1.223 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2c[nH]nc2C)o1 ZINC000931414865 640185985 /nfs/dbraw/zinc/18/59/85/640185985.db2.gz FVPBMDVGQNSFBB-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2c[nH]nc2C)o1 ZINC000931414865 640185988 /nfs/dbraw/zinc/18/59/88/640185988.db2.gz FVPBMDVGQNSFBB-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)Cc2c[nH]nc21 ZINC000931459260 640217630 /nfs/dbraw/zinc/21/76/30/640217630.db2.gz NHUREFUPYSZUCS-MRVPVSSYSA-N 1 2 217.276 1.252 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)Cc2c[nH]nc21 ZINC000931459260 640217633 /nfs/dbraw/zinc/21/76/33/640217633.db2.gz NHUREFUPYSZUCS-MRVPVSSYSA-N 1 2 217.276 1.252 20 0 BDADLO Cc1nccnc1C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468264 640226241 /nfs/dbraw/zinc/22/62/41/640226241.db2.gz WXNIZQOFQXVOSJ-VIFPVBQESA-N 1 2 243.314 1.627 20 0 BDADLO Cc1nccnc1C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468264 640226244 /nfs/dbraw/zinc/22/62/44/640226244.db2.gz WXNIZQOFQXVOSJ-VIFPVBQESA-N 1 2 243.314 1.627 20 0 BDADLO CC[C@@](C)(O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000931467277 640227626 /nfs/dbraw/zinc/22/76/26/640227626.db2.gz IDCIXIVJZWXLJR-CYBMUJFWSA-N 1 2 247.298 1.742 20 0 BDADLO CC1(C)CC(=O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000913004074 640272343 /nfs/dbraw/zinc/27/23/43/640272343.db2.gz VRXMSYSIZYEIFX-UHFFFAOYSA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000913057530 640295662 /nfs/dbraw/zinc/29/56/62/640295662.db2.gz OSQMFZWEORFEBH-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](CC)CO ZINC000931774810 640366434 /nfs/dbraw/zinc/36/64/34/640366434.db2.gz NVAWIMAOFDRXRM-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO Cc1cc([NH+](C)C)ccc1NCc1cn(C)nn1 ZINC000054859345 640417015 /nfs/dbraw/zinc/41/70/15/640417015.db2.gz DLTZYKOCKPLCQZ-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000932337518 640480009 /nfs/dbraw/zinc/48/00/09/640480009.db2.gz TXQQWTBOYXVUDV-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@@H](C)CC1 ZINC000932337518 640480010 /nfs/dbraw/zinc/48/00/10/640480010.db2.gz TXQQWTBOYXVUDV-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCO[C@H](C)CC2)nn1 ZINC000932341512 640482736 /nfs/dbraw/zinc/48/27/36/640482736.db2.gz JEZMSLPHVNYYFY-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCO[C@H](C)CC2)nn1 ZINC000932341512 640482743 /nfs/dbraw/zinc/48/27/43/640482743.db2.gz JEZMSLPHVNYYFY-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCO[C@@H](C)CC2)nn1 ZINC000932341513 640484106 /nfs/dbraw/zinc/48/41/06/640484106.db2.gz JEZMSLPHVNYYFY-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCO[C@@H](C)CC2)nn1 ZINC000932341513 640484107 /nfs/dbraw/zinc/48/41/07/640484107.db2.gz JEZMSLPHVNYYFY-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccs2)CCO1 ZINC000932339795 640484286 /nfs/dbraw/zinc/48/42/86/640484286.db2.gz BMFGXYKRXHOHGS-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccs2)CCO1 ZINC000932339795 640484291 /nfs/dbraw/zinc/48/42/91/640484291.db2.gz BMFGXYKRXHOHGS-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO COC(C)(C)[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000932370495 640501614 /nfs/dbraw/zinc/50/16/14/640501614.db2.gz SUUXBORPVAYVPT-MRVPVSSYSA-N 1 2 239.319 1.850 20 0 BDADLO C[C@@H](F)CC[NH+]1CC(NC(=O)C(C)(C)F)C1 ZINC001030049040 640546252 /nfs/dbraw/zinc/54/62/52/640546252.db2.gz XFMWFEPCIMHHPD-MRVPVSSYSA-N 1 2 234.290 1.283 20 0 BDADLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1nnnn1C ZINC000932564465 640575274 /nfs/dbraw/zinc/57/52/74/640575274.db2.gz ZFAMAZLTAWYEMZ-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO O[C@H](C[N@@H+]1CCn2nc(C3CC3)cc2C1)C1CC1 ZINC000932602699 640582058 /nfs/dbraw/zinc/58/20/58/640582058.db2.gz JXRWNLGKZMUJID-CQSZACIVSA-N 1 2 247.342 1.347 20 0 BDADLO O[C@H](C[N@H+]1CCn2nc(C3CC3)cc2C1)C1CC1 ZINC000932602699 640582066 /nfs/dbraw/zinc/58/20/66/640582066.db2.gz JXRWNLGKZMUJID-CQSZACIVSA-N 1 2 247.342 1.347 20 0 BDADLO OC1(C[N@@H+]2CCn3nc(C4CC4)cc3C2)CCC1 ZINC000932602767 640582579 /nfs/dbraw/zinc/58/25/79/640582579.db2.gz MHXZZWPZAKEFCJ-UHFFFAOYSA-N 1 2 247.342 1.491 20 0 BDADLO OC1(C[N@H+]2CCn3nc(C4CC4)cc3C2)CCC1 ZINC000932602767 640582585 /nfs/dbraw/zinc/58/25/85/640582585.db2.gz MHXZZWPZAKEFCJ-UHFFFAOYSA-N 1 2 247.342 1.491 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604536 640582681 /nfs/dbraw/zinc/58/26/81/640582681.db2.gz BIIQBHMCWCJNHT-SNVBAGLBSA-N 1 2 235.331 1.205 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604536 640582686 /nfs/dbraw/zinc/58/26/86/640582686.db2.gz BIIQBHMCWCJNHT-SNVBAGLBSA-N 1 2 235.331 1.205 20 0 BDADLO Cn1cnnc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932625872 640587546 /nfs/dbraw/zinc/58/75/46/640587546.db2.gz DODLRJYPVPUMKC-UHFFFAOYSA-N 1 2 238.310 1.529 20 0 BDADLO CC(C)C(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001030113725 640603460 /nfs/dbraw/zinc/60/34/60/640603460.db2.gz VLAAUHQPGLRZOZ-PWSUYJOCSA-N 1 2 240.347 1.010 20 0 BDADLO OC1(C2CCC2)CC[NH+](Cc2ccon2)CC1 ZINC000932814406 640613454 /nfs/dbraw/zinc/61/34/54/640613454.db2.gz FQNXYQUQYOBJTM-UHFFFAOYSA-N 1 2 236.315 1.802 20 0 BDADLO CCOC(=O)CCCC[N@@H+]1CCCC(=O)[C@H]1C ZINC000932860022 640628718 /nfs/dbraw/zinc/62/87/18/640628718.db2.gz OPRUGEMQHMNGLD-LLVKDONJSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)CCCC[N@H+]1CCCC(=O)[C@H]1C ZINC000932860022 640628724 /nfs/dbraw/zinc/62/87/24/640628724.db2.gz OPRUGEMQHMNGLD-LLVKDONJSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)CCCC[N@@H+]1CC(=O)CC[C@@H]1C ZINC000932871431 640633243 /nfs/dbraw/zinc/63/32/43/640633243.db2.gz QVXIORYBEZMUSP-NSHDSACASA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)CCCC[N@H+]1CC(=O)CC[C@@H]1C ZINC000932871431 640633246 /nfs/dbraw/zinc/63/32/46/640633246.db2.gz QVXIORYBEZMUSP-NSHDSACASA-N 1 2 241.331 1.773 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)CC2CCC2)C1 ZINC001030185337 640666430 /nfs/dbraw/zinc/66/64/30/640666430.db2.gz YRJCBUOZKTYWHP-UHFFFAOYSA-N 1 2 236.359 1.943 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@@H]2CC2CC2)n1 ZINC000933206996 640680168 /nfs/dbraw/zinc/68/01/68/640680168.db2.gz AZPFDAGYDGSBHM-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@@H]2CC2CC2)n1 ZINC000933206996 640680174 /nfs/dbraw/zinc/68/01/74/640680174.db2.gz AZPFDAGYDGSBHM-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCn1cnc2c1CC[N@H+](CCOC1CCC1)C2 ZINC000933254333 640691911 /nfs/dbraw/zinc/69/19/11/640691911.db2.gz AIBUAQOQAPRMLL-UHFFFAOYSA-N 1 2 249.358 1.830 20 0 BDADLO CCn1cnc2c1CC[N@@H+](CCOC1CCC1)C2 ZINC000933254333 640691918 /nfs/dbraw/zinc/69/19/18/640691918.db2.gz AIBUAQOQAPRMLL-UHFFFAOYSA-N 1 2 249.358 1.830 20 0 BDADLO CCn1c[nH+]c2c1CCN(CCOC1CCC1)C2 ZINC000933254333 640691923 /nfs/dbraw/zinc/69/19/23/640691923.db2.gz AIBUAQOQAPRMLL-UHFFFAOYSA-N 1 2 249.358 1.830 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cscn1)C2 ZINC000933263479 640692488 /nfs/dbraw/zinc/69/24/88/640692488.db2.gz NGCYGNCHQKQXGH-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cccc(=O)[nH]1 ZINC000933396789 640714597 /nfs/dbraw/zinc/71/45/97/640714597.db2.gz TXCNUDDMEZQLHC-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cccc(=O)[nH]1 ZINC000933396789 640714599 /nfs/dbraw/zinc/71/45/99/640714599.db2.gz TXCNUDDMEZQLHC-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400931 640715593 /nfs/dbraw/zinc/71/55/93/640715593.db2.gz CYAZSNMRHFMCLL-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400931 640715596 /nfs/dbraw/zinc/71/55/96/640715596.db2.gz CYAZSNMRHFMCLL-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001030296560 640737017 /nfs/dbraw/zinc/73/70/17/640737017.db2.gz ACCRAULLIKDZII-VHSXEESVSA-N 1 2 228.311 1.335 20 0 BDADLO FCC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933691628 640746029 /nfs/dbraw/zinc/74/60/29/640746029.db2.gz JRVOYRARNMHJNU-MNOVXSKESA-N 1 2 217.284 1.226 20 0 BDADLO FCC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933691628 640746046 /nfs/dbraw/zinc/74/60/46/640746046.db2.gz JRVOYRARNMHJNU-MNOVXSKESA-N 1 2 217.284 1.226 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccnn2C2CCC2)C1 ZINC001030325265 640762182 /nfs/dbraw/zinc/76/21/82/640762182.db2.gz HVSFHHOFKDVDEX-UHFFFAOYSA-N 1 2 248.330 1.042 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)n1 ZINC000933965081 640795490 /nfs/dbraw/zinc/79/54/90/640795490.db2.gz UOHUNBVXGNOVIW-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)n1 ZINC000933965081 640795495 /nfs/dbraw/zinc/79/54/95/640795495.db2.gz UOHUNBVXGNOVIW-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933966117 640797779 /nfs/dbraw/zinc/79/77/79/640797779.db2.gz JWGKINQVAHZOFM-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933966117 640797784 /nfs/dbraw/zinc/79/77/84/640797784.db2.gz JWGKINQVAHZOFM-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933969581 640798703 /nfs/dbraw/zinc/79/87/03/640798703.db2.gz WOPVFRSSCPZLGV-ZNRHVGLYSA-N 1 2 217.696 1.229 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933969581 640798710 /nfs/dbraw/zinc/79/87/10/640798710.db2.gz WOPVFRSSCPZLGV-ZNRHVGLYSA-N 1 2 217.696 1.229 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)cc(C)n2)C1 ZINC001030586246 640931115 /nfs/dbraw/zinc/93/11/15/640931115.db2.gz JDCZOXLHTFNVRH-UHFFFAOYSA-N 1 2 233.315 1.132 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001030619941 640973206 /nfs/dbraw/zinc/97/32/06/640973206.db2.gz PLKKCIWSFNTVNF-UHFFFAOYSA-N 1 2 247.342 1.639 20 0 BDADLO CNc1cc(NC[C@@](C)(O)CSC)[nH+]cn1 ZINC000230192227 641034670 /nfs/dbraw/zinc/03/46/70/641034670.db2.gz QWAOKMWLHWJGHC-SNVBAGLBSA-N 1 2 242.348 1.044 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@@H](OC)C2)nc[nH+]1 ZINC000230379317 641050752 /nfs/dbraw/zinc/05/07/52/641050752.db2.gz AAINHHJAOCWABR-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@@H](OC)C2)[nH+]cn1 ZINC000230379317 641050756 /nfs/dbraw/zinc/05/07/56/641050756.db2.gz AAINHHJAOCWABR-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO Cc1nc(C[NH2+]C2COC(C)(C)OC2)cs1 ZINC000230695591 641085079 /nfs/dbraw/zinc/08/50/79/641085079.db2.gz UAKPOWXMEUPQQN-UHFFFAOYSA-N 1 2 242.344 1.693 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127238 641085288 /nfs/dbraw/zinc/08/52/88/641085288.db2.gz UBEQIQXCGRYEEV-NXEZZACHSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127238 641085294 /nfs/dbraw/zinc/08/52/94/641085294.db2.gz UBEQIQXCGRYEEV-NXEZZACHSA-N 1 2 239.319 1.802 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000932972116 641169927 /nfs/dbraw/zinc/16/99/27/641169927.db2.gz BVJBFBQNNHAOGN-JTQLQIEISA-N 1 2 237.303 1.101 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nc(C)cc(=O)[nH]2)C1 ZINC000932972116 641169933 /nfs/dbraw/zinc/16/99/33/641169933.db2.gz BVJBFBQNNHAOGN-JTQLQIEISA-N 1 2 237.303 1.101 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000932978208 641171603 /nfs/dbraw/zinc/17/16/03/641171603.db2.gz CSWSZMUMDCYLOA-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000932978208 641171606 /nfs/dbraw/zinc/17/16/06/641171606.db2.gz CSWSZMUMDCYLOA-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO Cc1nc(CC[N@@H+]2CC[C@H](O)[C@@H](F)C2)cs1 ZINC000934570752 641200941 /nfs/dbraw/zinc/20/09/41/641200941.db2.gz MHKSZUYTFOSXPB-QWRGUYRKSA-N 1 2 244.335 1.399 20 0 BDADLO Cc1nc(CC[N@H+]2CC[C@H](O)[C@@H](F)C2)cs1 ZINC000934570752 641200954 /nfs/dbraw/zinc/20/09/54/641200954.db2.gz MHKSZUYTFOSXPB-QWRGUYRKSA-N 1 2 244.335 1.399 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC000934585034 641209397 /nfs/dbraw/zinc/20/93/97/641209397.db2.gz SLFCNWWRGZTCSK-NWDGAFQWSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC000934585034 641209401 /nfs/dbraw/zinc/20/94/01/641209401.db2.gz SLFCNWWRGZTCSK-NWDGAFQWSA-N 1 2 227.254 1.730 20 0 BDADLO COc1c(C)c[nH+]c(CNCc2ccno2)c1C ZINC000231896821 641215025 /nfs/dbraw/zinc/21/50/25/641215025.db2.gz ZMAKQRHVBGCZPU-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COc1c(C)cnc(C[NH2+]Cc2ccno2)c1C ZINC000231896821 641215029 /nfs/dbraw/zinc/21/50/29/641215029.db2.gz ZMAKQRHVBGCZPU-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccno1 ZINC000231897169 641215061 /nfs/dbraw/zinc/21/50/61/641215061.db2.gz QORSPLZSDJSDGW-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO COC(=O)C[NH2+]C1(C2CCCCC2)CC1 ZINC000934787562 641270720 /nfs/dbraw/zinc/27/07/20/641270720.db2.gz CUHFUNSASURJPX-UHFFFAOYSA-N 1 2 211.305 1.862 20 0 BDADLO COC[C@H](C)[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030799381 641357933 /nfs/dbraw/zinc/35/79/33/641357933.db2.gz DFJORHNDYFVUSR-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](c1nc(C2CCOCC2)no1)[NH+](C)C ZINC000350591359 641364305 /nfs/dbraw/zinc/36/43/05/641364305.db2.gz GCINFQHFKCUVEW-QMMMGPOBSA-N 1 2 225.292 1.586 20 0 BDADLO Cl/C=C\C[N@@H+]1CCCC2(C1)OCCO2 ZINC000254987542 641371754 /nfs/dbraw/zinc/37/17/54/641371754.db2.gz WMRDWDHOWSHKCP-RQOWECAXSA-N 1 2 217.696 1.578 20 0 BDADLO Cl/C=C\C[N@H+]1CCCC2(C1)OCCO2 ZINC000254987542 641371759 /nfs/dbraw/zinc/37/17/59/641371759.db2.gz WMRDWDHOWSHKCP-RQOWECAXSA-N 1 2 217.696 1.578 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CC[C@@H](F)C1 ZINC001030850475 641383150 /nfs/dbraw/zinc/38/31/50/641383150.db2.gz GTHDVXHTXPOBKL-VHSXEESVSA-N 1 2 246.301 1.285 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C[C@H]1CC=CCC1 ZINC000935329286 641387472 /nfs/dbraw/zinc/38/74/72/641387472.db2.gz LDNKRWQTVOBURI-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001030873872 641393678 /nfs/dbraw/zinc/39/36/78/641393678.db2.gz XKUHUMLLNUCEPU-CMPLNLGQSA-N 1 2 224.348 1.633 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(OC)cc2C)C1 ZINC001030885470 641400313 /nfs/dbraw/zinc/40/03/13/641400313.db2.gz NNVONCGQMFVWLL-UHFFFAOYSA-N 1 2 248.326 1.438 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1OC2CCC1CC2 ZINC000913786764 641475396 /nfs/dbraw/zinc/47/53/96/641475396.db2.gz GMPBFQCGHGJJIG-UHFFFAOYSA-N 1 2 221.260 1.037 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001030982559 641563139 /nfs/dbraw/zinc/56/31/39/641563139.db2.gz SPUSBOXGHZPZFA-ZYHUDNBSSA-N 1 2 224.348 1.489 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@@H]1CCOC1 ZINC000929792814 641569187 /nfs/dbraw/zinc/56/91/87/641569187.db2.gz KMHYZBAEJVQVOZ-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@@H]1CCOC1 ZINC000929792814 641569189 /nfs/dbraw/zinc/56/91/89/641569189.db2.gz KMHYZBAEJVQVOZ-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001031022288 641599818 /nfs/dbraw/zinc/59/98/18/641599818.db2.gz BHSVMRNTIVASKR-ZDUSSCGKSA-N 1 2 248.370 1.943 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CC12CCC2 ZINC001031021815 641600316 /nfs/dbraw/zinc/60/03/16/641600316.db2.gz KFGDGABRDBUNKV-NSHDSACASA-N 1 2 240.322 1.337 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC001031044508 641639120 /nfs/dbraw/zinc/63/91/20/641639120.db2.gz ZQHRQMNXQIKNDK-VHSXEESVSA-N 1 2 210.321 1.243 20 0 BDADLO CCC[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000914362744 641646669 /nfs/dbraw/zinc/64/66/69/641646669.db2.gz GJILPYGLDAMSRG-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](CF)C1 ZINC000914425746 641670630 /nfs/dbraw/zinc/67/06/30/641670630.db2.gz QAQGYZJKWPPJHP-VIFPVBQESA-N 1 2 225.267 1.160 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000159333282 641677061 /nfs/dbraw/zinc/67/70/61/641677061.db2.gz BLWGUAWBKGOPEB-VIFPVBQESA-N 1 2 237.234 1.522 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000159333943 641677702 /nfs/dbraw/zinc/67/77/02/641677702.db2.gz PZNLSTSJYUKWLU-SNVBAGLBSA-N 1 2 249.270 1.391 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000049369160 641716935 /nfs/dbraw/zinc/71/69/35/641716935.db2.gz BOTSNXJEDDZFOF-HTQZYQBOSA-N 1 2 203.307 1.033 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000754381365 641761368 /nfs/dbraw/zinc/76/13/68/641761368.db2.gz ADOMOKWCTNKKQM-DTWKUNHWSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000754381365 641761371 /nfs/dbraw/zinc/76/13/71/641761371.db2.gz ADOMOKWCTNKKQM-DTWKUNHWSA-N 1 2 225.292 1.407 20 0 BDADLO CC[NH+]1CC(NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001031168479 641763546 /nfs/dbraw/zinc/76/35/46/641763546.db2.gz PMTUMTJLXKKBAP-UHFFFAOYSA-N 1 2 249.314 1.294 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001031170082 641766824 /nfs/dbraw/zinc/76/68/24/641766824.db2.gz KYQJAJPLZYITAU-GHMZBOCLSA-N 1 2 210.321 1.099 20 0 BDADLO CCc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000351415808 641798379 /nfs/dbraw/zinc/79/83/79/641798379.db2.gz ZZRBFVUUHOHMFH-UHFFFAOYSA-N 1 2 232.287 1.756 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000189283913 641799803 /nfs/dbraw/zinc/79/98/03/641799803.db2.gz UXPFQCRGHXQKGZ-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000189283913 641799805 /nfs/dbraw/zinc/79/98/05/641799805.db2.gz UXPFQCRGHXQKGZ-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001031205397 641811180 /nfs/dbraw/zinc/81/11/80/641811180.db2.gz HNISHCKOACEBEE-NSHDSACASA-N 1 2 222.332 1.387 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2ccon2)CC1 ZINC000153520452 641811469 /nfs/dbraw/zinc/81/14/69/641811469.db2.gz VVGBMJKQULEYCE-UHFFFAOYSA-N 1 2 224.260 1.202 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001031240451 641843609 /nfs/dbraw/zinc/84/36/09/641843609.db2.gz YPGPCJCHOVSTAR-UHFFFAOYSA-N 1 2 232.274 1.242 20 0 BDADLO CC[C@@H](F)C(=O)N1CC[NH+](CC=C(C)C)CC1 ZINC000949692653 641854915 /nfs/dbraw/zinc/85/49/15/641854915.db2.gz BWNYXKRQAUBIEZ-GFCCVEGCSA-N 1 2 242.338 1.845 20 0 BDADLO CCN(C(=O)c1coc(C)c1)C1C[NH+](CC)C1 ZINC000949962056 641876815 /nfs/dbraw/zinc/87/68/15/641876815.db2.gz DLKUOVTWLUQHEF-UHFFFAOYSA-N 1 2 236.315 1.754 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(N(C)C)c2)C1 ZINC001031305737 641883200 /nfs/dbraw/zinc/88/32/00/641883200.db2.gz IZOXWUYKEBIGQF-UHFFFAOYSA-N 1 2 247.342 1.187 20 0 BDADLO CCn1cnnc1SCc1ccc(N)[nH+]c1 ZINC000916398301 641935101 /nfs/dbraw/zinc/93/51/01/641935101.db2.gz BPPKOZOZIJAPFZ-UHFFFAOYSA-N 1 2 235.316 1.568 20 0 BDADLO Cc1nonc1C[NH2+]Cc1c(C)nn(C)c1C ZINC000078777453 641952889 /nfs/dbraw/zinc/95/28/89/641952889.db2.gz QWBUJOPCVSBDBO-UHFFFAOYSA-N 1 2 235.291 1.018 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2ncccn2)CC1 ZINC000192127048 641965079 /nfs/dbraw/zinc/96/50/79/641965079.db2.gz JFTVMKLOLYLBGM-UHFFFAOYSA-N 1 2 235.287 1.004 20 0 BDADLO CCOc1ccccc1C(=O)NC1C[NH+](CC)C1 ZINC001031335168 641974316 /nfs/dbraw/zinc/97/43/16/641974316.db2.gz JFBWUKKHAOEIMJ-UHFFFAOYSA-N 1 2 248.326 1.519 20 0 BDADLO CC[NH+]1CC(NC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001031451958 642169900 /nfs/dbraw/zinc/16/99/00/642169900.db2.gz AFVGUCLAIRFOSU-QWRGUYRKSA-N 1 2 238.375 1.879 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OCc1ccno1 ZINC000918184044 642176363 /nfs/dbraw/zinc/17/63/63/642176363.db2.gz VGAJGQKVDUESNR-UHFFFAOYSA-N 1 2 231.255 1.916 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccoc2C(C)C)C1 ZINC001031463828 642181624 /nfs/dbraw/zinc/18/16/24/642181624.db2.gz XNXDULLDZXBVEJ-UHFFFAOYSA-N 1 2 236.315 1.837 20 0 BDADLO CO[C@H](C)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154944696 642320788 /nfs/dbraw/zinc/32/07/88/642320788.db2.gz VZUFFTZRIGQNCK-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO CCOCC[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933253964 642419711 /nfs/dbraw/zinc/41/97/11/642419711.db2.gz MDXJPLGBFWCJAW-UHFFFAOYSA-N 1 2 223.320 1.298 20 0 BDADLO CCOCC[N@H+]1CCc2c(ncn2CC)C1 ZINC000933253964 642419720 /nfs/dbraw/zinc/41/97/20/642419720.db2.gz MDXJPLGBFWCJAW-UHFFFAOYSA-N 1 2 223.320 1.298 20 0 BDADLO CC1(C)CC(C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031649320 642444697 /nfs/dbraw/zinc/44/46/97/642444697.db2.gz WESIPRZXQNIPMF-UHFFFAOYSA-N 1 2 242.338 1.440 20 0 BDADLO c1snnc1C[NH2+]CCOCC1CCCC1 ZINC000313264408 642463080 /nfs/dbraw/zinc/46/30/80/642463080.db2.gz FOGVUWMIDZDLPY-UHFFFAOYSA-N 1 2 241.360 1.835 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](C)CCO)C(=O)OC ZINC000233046751 642648777 /nfs/dbraw/zinc/64/87/77/642648777.db2.gz UVTODZMOFULSSH-NXEZZACHSA-N 1 2 217.309 1.079 20 0 BDADLO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000305733106 642684094 /nfs/dbraw/zinc/68/40/94/642684094.db2.gz KZYWCPXYYCDWIN-ONGXEEELSA-N 1 2 235.287 1.605 20 0 BDADLO CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000965976989 642778553 /nfs/dbraw/zinc/77/85/53/642778553.db2.gz YAWWCARVFVCWET-LLVKDONJSA-N 1 2 249.314 1.262 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@@H]2CCCCO2)n1 ZINC000069403600 642862322 /nfs/dbraw/zinc/86/23/22/642862322.db2.gz MJGKSXIPYZPUQO-JTQLQIEISA-N 1 2 239.319 1.681 20 0 BDADLO CC[NH2+]Cc1noc(CCSC)n1 ZINC000070004951 642950536 /nfs/dbraw/zinc/95/05/36/642950536.db2.gz HPVMKEQCGWFLFM-UHFFFAOYSA-N 1 2 201.295 1.085 20 0 BDADLO COCc1cccc(C[NH2+]Cc2nonc2C)c1 ZINC000070261704 643006710 /nfs/dbraw/zinc/00/67/10/643006710.db2.gz QJKZUFVWGQNJAC-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932345775 643155762 /nfs/dbraw/zinc/15/57/62/643155762.db2.gz PSRZLTGFVPCLGI-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932345775 643155775 /nfs/dbraw/zinc/15/57/75/643155775.db2.gz PSRZLTGFVPCLGI-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@H]([NH2+]CC1(C)COC1)C(=O)OC(C)(C)C ZINC000082784075 643381109 /nfs/dbraw/zinc/38/11/09/643381109.db2.gz ZSWCDIZYKBTOCA-VIFPVBQESA-N 1 2 229.320 1.343 20 0 BDADLO C[C@]1(C[NH2+][C@H]2CCOC2=O)CCCS1 ZINC000307183065 643416758 /nfs/dbraw/zinc/41/67/58/643416758.db2.gz OVVQTNKRHDWDKW-WCBMZHEXSA-N 1 2 215.318 1.177 20 0 BDADLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)C ZINC001032284440 643445362 /nfs/dbraw/zinc/44/53/62/643445362.db2.gz VOSQQYWQFFUUCH-WOPDTQHZSA-N 1 2 242.338 1.676 20 0 BDADLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)C ZINC001032284440 643445366 /nfs/dbraw/zinc/44/53/66/643445366.db2.gz VOSQQYWQFFUUCH-WOPDTQHZSA-N 1 2 242.338 1.676 20 0 BDADLO O=C(C1=COCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000734125902 643491191 /nfs/dbraw/zinc/49/11/91/643491191.db2.gz JTSUXVXIIJYKBM-JTQLQIEISA-N 1 2 247.298 1.420 20 0 BDADLO O=C(C1=COCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000734125381 643491446 /nfs/dbraw/zinc/49/14/46/643491446.db2.gz DGNASRVPLKZYBG-LBPRGKRZSA-N 1 2 247.298 1.351 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC(CO)CC1 ZINC000046091518 643568878 /nfs/dbraw/zinc/56/88/78/643568878.db2.gz ICQGUKYHIGQBTP-UHFFFAOYSA-N 1 2 229.320 1.034 20 0 BDADLO C[C@H]1CC[N@H+](Cn2ncsc2=S)C1 ZINC000307749752 643624068 /nfs/dbraw/zinc/62/40/68/643624068.db2.gz HUQXNYDYBKKKDX-ZETCQYMHSA-N 1 2 215.347 1.973 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2ncsc2=S)C1 ZINC000307749752 643624072 /nfs/dbraw/zinc/62/40/72/643624072.db2.gz HUQXNYDYBKKKDX-ZETCQYMHSA-N 1 2 215.347 1.973 20 0 BDADLO CC(C)(C)SCC(=O)NCCn1cc[nH+]c1 ZINC000073543175 643681321 /nfs/dbraw/zinc/68/13/21/643681321.db2.gz VXPNVPHEPNEGDE-UHFFFAOYSA-N 1 2 241.360 1.531 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000354337713 643772580 /nfs/dbraw/zinc/77/25/80/643772580.db2.gz XWQGSVUPTZVNLT-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000354337713 643772581 /nfs/dbraw/zinc/77/25/81/643772581.db2.gz XWQGSVUPTZVNLT-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO CC(=O)NCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001000346191 643777613 /nfs/dbraw/zinc/77/76/13/643777613.db2.gz SRDAHYNXEKHOLQ-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO CC(=O)NCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001000346191 643777619 /nfs/dbraw/zinc/77/76/19/643777619.db2.gz SRDAHYNXEKHOLQ-UHFFFAOYSA-N 1 2 249.314 1.251 20 0 BDADLO CCc1ncc(C[N@@H+](CC(N)=O)CC(C)C)o1 ZINC000929258406 643832042 /nfs/dbraw/zinc/83/20/42/643832042.db2.gz YTYGKSZCGWXXLF-UHFFFAOYSA-N 1 2 239.319 1.180 20 0 BDADLO CCc1ncc(C[N@H+](CC(N)=O)CC(C)C)o1 ZINC000929258406 643832046 /nfs/dbraw/zinc/83/20/46/643832046.db2.gz YTYGKSZCGWXXLF-UHFFFAOYSA-N 1 2 239.319 1.180 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC2(CCC2)O1 ZINC000922218554 643906923 /nfs/dbraw/zinc/90/69/23/643906923.db2.gz CCGXBADWOHTQCG-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO Cc1c(C(=O)OCc2ccc[nH+]c2N)cnn1C ZINC000922302425 643962496 /nfs/dbraw/zinc/96/24/96/643962496.db2.gz BEPDSRSUTCBFTK-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@]12CCCO2 ZINC000922303571 643963874 /nfs/dbraw/zinc/96/38/74/643963874.db2.gz WFTOUFGWNQIUJO-GWCFXTLKSA-N 1 2 249.314 1.170 20 0 BDADLO Cc1cc(C(=O)OCc2ccc[nH+]c2N)n(C)n1 ZINC000922372868 643981844 /nfs/dbraw/zinc/98/18/44/643981844.db2.gz IGURROSXRMUZOA-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO CC(C)[C@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922447531 643995377 /nfs/dbraw/zinc/99/53/77/643995377.db2.gz BDESIIXIQSEOKK-VIFPVBQESA-N 1 2 222.288 1.999 20 0 BDADLO CCn1cc(C(=O)OCc2ccc[nH+]c2N)cn1 ZINC000922458680 643996294 /nfs/dbraw/zinc/99/62/94/643996294.db2.gz QKTADLKRGOPXBJ-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO C[C@@H](C(=O)OCc1ccc[nH+]c1N)C1CC1 ZINC000922508667 644005197 /nfs/dbraw/zinc/00/51/97/644005197.db2.gz XMQXWUQQZOZOOC-MRVPVSSYSA-N 1 2 220.272 1.753 20 0 BDADLO Cc1nc(C)c(C(=O)OCc2ccc(N)[nH+]c2)o1 ZINC000922508313 644006140 /nfs/dbraw/zinc/00/61/40/644006140.db2.gz QGHGRAXDXRSIAJ-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO CC1(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922529561 644017216 /nfs/dbraw/zinc/01/72/16/644017216.db2.gz XPVQENQCBRHLQF-UHFFFAOYSA-N 1 2 206.245 1.507 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CCSC1 ZINC000922529465 644017364 /nfs/dbraw/zinc/01/73/64/644017364.db2.gz FRTHUKBGUKBNTH-VIFPVBQESA-N 1 2 238.312 1.460 20 0 BDADLO CCn1cnnc1NCc1cccc2[nH+]ccn21 ZINC000922659910 644062013 /nfs/dbraw/zinc/06/20/13/644062013.db2.gz WLIRZCUSGRZZFO-UHFFFAOYSA-N 1 2 242.286 1.558 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CC23CC3)c[nH+]1 ZINC000922813040 644098831 /nfs/dbraw/zinc/09/88/31/644098831.db2.gz UCWFFTPBAACJOZ-SECBINFHSA-N 1 2 218.256 1.507 20 0 BDADLO COC1CC(C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922880372 644126642 /nfs/dbraw/zinc/12/66/42/644126642.db2.gz AKKWLVHQDCVMBP-UHFFFAOYSA-N 1 2 236.271 1.132 20 0 BDADLO CC(C)/C=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000192881089 644193058 /nfs/dbraw/zinc/19/30/58/644193058.db2.gz FMRDVGPBAKAJGP-ITKZLYELSA-N 1 2 241.331 1.463 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc(C3CC3)nn2C)c1 ZINC000922947426 644197590 /nfs/dbraw/zinc/19/75/90/644197590.db2.gz IWWZOUZPTYZPEV-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO Cn1nc(C[NH2+]Cc2cn[nH]c2)cc1C1CC1 ZINC000922956448 644200742 /nfs/dbraw/zinc/20/07/42/644200742.db2.gz SEWACTYLOCQYGF-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cc(C)n(C)n1 ZINC000922983126 644209181 /nfs/dbraw/zinc/20/91/81/644209181.db2.gz XUWTVEAIQUYYAK-UHFFFAOYSA-N 1 2 248.330 1.877 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1[nH]ncc1C ZINC000922983589 644210054 /nfs/dbraw/zinc/21/00/54/644210054.db2.gz MAZJFRWLSLLORG-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1n[nH]cc1C ZINC000922983589 644210056 /nfs/dbraw/zinc/21/00/56/644210056.db2.gz MAZJFRWLSLLORG-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC000082339402 644370893 /nfs/dbraw/zinc/37/08/93/644370893.db2.gz FIJPJQIRXDLZFA-VIFPVBQESA-N 1 2 223.276 1.406 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)no1 ZINC000082339402 644370898 /nfs/dbraw/zinc/37/08/98/644370898.db2.gz FIJPJQIRXDLZFA-VIFPVBQESA-N 1 2 223.276 1.406 20 0 BDADLO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494198 644439963 /nfs/dbraw/zinc/43/99/63/644439963.db2.gz METZOKYPRXQIMF-IUCAKERBSA-N 1 2 217.309 1.077 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)[C@@H](C)C1 ZINC000946933214 644527639 /nfs/dbraw/zinc/52/76/39/644527639.db2.gz SNTWAACDEWDLHW-GXSJLCMTSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)[C@@H](C)C1 ZINC000946933214 644527640 /nfs/dbraw/zinc/52/76/40/644527640.db2.gz SNTWAACDEWDLHW-GXSJLCMTSA-N 1 2 237.303 1.164 20 0 BDADLO C[C@@H]1C[N@H+](CCN2OC3CCC2CC3)CCO1 ZINC000640229905 644618487 /nfs/dbraw/zinc/61/84/87/644618487.db2.gz FLJMTDHIYSBTEI-PNESKVBLSA-N 1 2 240.347 1.266 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2OC3CCC2CC3)CCO1 ZINC000640229905 644618490 /nfs/dbraw/zinc/61/84/90/644618490.db2.gz FLJMTDHIYSBTEI-PNESKVBLSA-N 1 2 240.347 1.266 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2nc3ccccn3c2=O)[C@H]1C ZINC000247071975 644620949 /nfs/dbraw/zinc/62/09/49/644620949.db2.gz UXXQVXWNAPTAFI-MNOVXSKESA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2nc3ccccn3c2=O)[C@H]1C ZINC000247071975 644620955 /nfs/dbraw/zinc/62/09/55/644620955.db2.gz UXXQVXWNAPTAFI-MNOVXSKESA-N 1 2 246.314 1.184 20 0 BDADLO c1ncc(C[NH2+][C@H]2CCCc3cccnc32)[nH]1 ZINC000091661878 644633326 /nfs/dbraw/zinc/63/33/26/644633326.db2.gz ZVFHJMPYCYKNDS-LBPRGKRZSA-N 1 2 228.299 1.972 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1=CCCCO1 ZINC000779214989 644710262 /nfs/dbraw/zinc/71/02/62/644710262.db2.gz IRBFMEAKDACRGF-JTQLQIEISA-N 1 2 247.298 1.008 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC=CO1 ZINC000249058680 644711366 /nfs/dbraw/zinc/71/13/66/644711366.db2.gz PGCXIOQHELHKKZ-GHMZBOCLSA-N 1 2 247.360 1.044 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000249058680 644711371 /nfs/dbraw/zinc/71/13/71/644711371.db2.gz PGCXIOQHELHKKZ-GHMZBOCLSA-N 1 2 247.360 1.044 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000250660606 644774971 /nfs/dbraw/zinc/77/49/71/644774971.db2.gz FAVIQRPEJBLVDB-VGMNWLOBSA-N 1 2 217.334 1.422 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000792266818 644795819 /nfs/dbraw/zinc/79/58/19/644795819.db2.gz AVNZYPKHWNWGBF-MRTMQBJTSA-N 1 2 219.292 1.163 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000792266818 644795825 /nfs/dbraw/zinc/79/58/25/644795825.db2.gz AVNZYPKHWNWGBF-MRTMQBJTSA-N 1 2 219.292 1.163 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCCCCCO ZINC000807195069 644861037 /nfs/dbraw/zinc/86/10/37/644861037.db2.gz UQRUEATVCQIDHO-UHFFFAOYSA-N 1 2 239.319 1.011 20 0 BDADLO Cc1ncccc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000810883490 644905803 /nfs/dbraw/zinc/90/58/03/644905803.db2.gz DHXOKIAJZHQEAU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ncccc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000810883490 644905820 /nfs/dbraw/zinc/90/58/20/644905820.db2.gz DHXOKIAJZHQEAU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cc(CNC(=O)C(F)F)cc(C)[nH+]1 ZINC000817618994 644989775 /nfs/dbraw/zinc/98/97/75/644989775.db2.gz JCPUIKBRVOFJFN-UHFFFAOYSA-N 1 2 214.215 1.580 20 0 BDADLO CCn1c[nH+]cc1CNc1ncc(C)cn1 ZINC000841504957 645218053 /nfs/dbraw/zinc/21/80/53/645218053.db2.gz LXJXEKYFDXNGKT-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@H]1COC[C@@H]1C)C(C)C ZINC000926524568 645254772 /nfs/dbraw/zinc/25/47/72/645254772.db2.gz PCRSPXNMEBDWAO-SRVKXCTJSA-N 1 2 243.347 1.587 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCC2(OC)OC)co1 ZINC000926536072 645263240 /nfs/dbraw/zinc/26/32/40/645263240.db2.gz JAIUARXFZDYISI-JTQLQIEISA-N 1 2 240.303 1.478 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000844379311 645322207 /nfs/dbraw/zinc/32/22/07/645322207.db2.gz PJWZXPXGBFWIPW-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000844379311 645322212 /nfs/dbraw/zinc/32/22/12/645322212.db2.gz PJWZXPXGBFWIPW-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000926631822 645322780 /nfs/dbraw/zinc/32/27/80/645322780.db2.gz VDJYMXUDQRUSBG-SECBINFHSA-N 1 2 247.298 1.721 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cnn(C)n1 ZINC000926800655 645437763 /nfs/dbraw/zinc/43/77/63/645437763.db2.gz ZWXWJNKVPUCEAT-RRKCRQDMSA-N 1 2 234.225 1.417 20 0 BDADLO CC[C@@H]1COC[C@H]1[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000926825785 645445661 /nfs/dbraw/zinc/44/56/61/645445661.db2.gz VSXVQQDERYEQBS-OPRDCNLKSA-N 1 2 235.274 1.377 20 0 BDADLO CC[C@@H]1COC[C@H]1[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000926825785 645445670 /nfs/dbraw/zinc/44/56/70/645445670.db2.gz VSXVQQDERYEQBS-OPRDCNLKSA-N 1 2 235.274 1.377 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC1(F)F ZINC000854477643 645507086 /nfs/dbraw/zinc/50/70/86/645507086.db2.gz MPBYXSSDEPYPQV-SSDOTTSWSA-N 1 2 229.230 1.256 20 0 BDADLO CC1(C)C[N@H+](CN2CCC2=O)[C@H]1[C@@H]1CCCO1 ZINC000857237476 645541306 /nfs/dbraw/zinc/54/13/06/645541306.db2.gz QUGJUOUMCQQFFL-JQWIXIFHSA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)C[N@@H+](CN2CCC2=O)[C@H]1[C@@H]1CCCO1 ZINC000857237476 645541315 /nfs/dbraw/zinc/54/13/15/645541315.db2.gz QUGJUOUMCQQFFL-JQWIXIFHSA-N 1 2 238.331 1.066 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(CO)c1 ZINC000857432769 645554318 /nfs/dbraw/zinc/55/43/18/645554318.db2.gz MLWRRSCNRZZOIB-UHFFFAOYSA-N 1 2 231.255 1.083 20 0 BDADLO CCc1onc(C)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC000927133713 645564675 /nfs/dbraw/zinc/56/46/75/645564675.db2.gz DEAIWNBNYCVNNG-LLVKDONJSA-N 1 2 246.314 1.977 20 0 BDADLO C[C@]1(F)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000857517119 645584729 /nfs/dbraw/zinc/58/47/29/645584729.db2.gz NJJZFKXBMGLOBK-LBPRGKRZSA-N 1 2 239.294 1.693 20 0 BDADLO CC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928560348 645819682 /nfs/dbraw/zinc/81/96/82/645819682.db2.gz UHUZSOWFDRQEAP-CYBMUJFWSA-N 1 2 246.310 1.323 20 0 BDADLO CC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000928560348 645819686 /nfs/dbraw/zinc/81/96/86/645819686.db2.gz UHUZSOWFDRQEAP-CYBMUJFWSA-N 1 2 246.310 1.323 20 0 BDADLO COC(C)(C)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000928598141 645843767 /nfs/dbraw/zinc/84/37/67/645843767.db2.gz AAGSMWIUMLKMCG-SECBINFHSA-N 1 2 239.319 1.272 20 0 BDADLO COC(C)(C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000928602243 645845314 /nfs/dbraw/zinc/84/53/14/645845314.db2.gz JZDODFWEDRNIRY-SECBINFHSA-N 1 2 239.319 1.272 20 0 BDADLO COC(C)(C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000928602243 645845317 /nfs/dbraw/zinc/84/53/17/645845317.db2.gz JZDODFWEDRNIRY-SECBINFHSA-N 1 2 239.319 1.272 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC000928928993 645897901 /nfs/dbraw/zinc/89/79/01/645897901.db2.gz PZPBMCXINHUOJR-AATRIKPKSA-N 1 2 241.722 1.990 20 0 BDADLO CCSc1ccccc1C[N@H+](C)CC(N)=O ZINC000929261936 646045088 /nfs/dbraw/zinc/04/50/88/646045088.db2.gz MMJFDAXCWHWSEU-UHFFFAOYSA-N 1 2 238.356 1.716 20 0 BDADLO CCSc1ccccc1C[N@@H+](C)CC(N)=O ZINC000929261936 646045092 /nfs/dbraw/zinc/04/50/92/646045092.db2.gz MMJFDAXCWHWSEU-UHFFFAOYSA-N 1 2 238.356 1.716 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nn(C)cc1C ZINC000929267715 646047845 /nfs/dbraw/zinc/04/78/45/646047845.db2.gz DIPPXWLCNPGEGW-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nn(C)cc1C ZINC000929267715 646047852 /nfs/dbraw/zinc/04/78/52/646047852.db2.gz DIPPXWLCNPGEGW-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1cnn(C)n1 ZINC000924611225 646076897 /nfs/dbraw/zinc/07/68/97/646076897.db2.gz WXHVJUWEEVGGBV-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1CF ZINC000929487481 646143084 /nfs/dbraw/zinc/14/30/84/646143084.db2.gz MAKCJPIFRWFHBY-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1CF ZINC000929487481 646143085 /nfs/dbraw/zinc/14/30/85/646143085.db2.gz MAKCJPIFRWFHBY-JTQLQIEISA-N 1 2 236.290 1.476 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCCC(C)(F)F ZINC000929487180 646143925 /nfs/dbraw/zinc/14/39/25/646143925.db2.gz JORDUFKDFXUGLO-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(F)F ZINC000929487180 646143930 /nfs/dbraw/zinc/14/39/30/646143930.db2.gz JORDUFKDFXUGLO-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO CC[N@H+](CCO)Cc1coc(C(C)(C)C)n1 ZINC000929514593 646161488 /nfs/dbraw/zinc/16/14/88/646161488.db2.gz VVSAHEGQVUWGOL-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO CC[N@@H+](CCO)Cc1coc(C(C)(C)C)n1 ZINC000929514593 646161491 /nfs/dbraw/zinc/16/14/91/646161491.db2.gz VVSAHEGQVUWGOL-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1CCS[C@H](C)C1 ZINC000929518639 646167917 /nfs/dbraw/zinc/16/79/17/646167917.db2.gz QFTXCTGYHVCYGM-ZJUUUORDSA-N 1 2 223.345 1.975 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1CCS[C@H](C)C1 ZINC000929518639 646167920 /nfs/dbraw/zinc/16/79/20/646167920.db2.gz QFTXCTGYHVCYGM-ZJUUUORDSA-N 1 2 223.345 1.975 20 0 BDADLO CC[C@@H](CO)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000929695286 646251053 /nfs/dbraw/zinc/25/10/53/646251053.db2.gz YIYQSGXPNLXGCU-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H](CO)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000929695286 646251048 /nfs/dbraw/zinc/25/10/48/646251048.db2.gz YIYQSGXPNLXGCU-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CN(CCCF)C(=O)CNc1cccc[nH+]1 ZINC000925548815 646327328 /nfs/dbraw/zinc/32/73/28/646327328.db2.gz IOZIINWMYYJQGF-UHFFFAOYSA-N 1 2 225.267 1.312 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)C[C@@H](O)C1CC1 ZINC000929806123 646327874 /nfs/dbraw/zinc/32/78/74/646327874.db2.gz JJZJVPCBULBESR-GFCCVEGCSA-N 1 2 242.269 1.563 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)C[C@@H](O)C1CC1 ZINC000929806123 646327880 /nfs/dbraw/zinc/32/78/80/646327880.db2.gz JJZJVPCBULBESR-GFCCVEGCSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn(CCF)c2)[C@@H]1C ZINC000929846182 646357670 /nfs/dbraw/zinc/35/76/70/646357670.db2.gz HRIALSRJZJWXOG-GHMZBOCLSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn(CCF)c2)[C@@H]1C ZINC000929846182 646357674 /nfs/dbraw/zinc/35/76/74/646357674.db2.gz HRIALSRJZJWXOG-GHMZBOCLSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)C[C@@H]1O ZINC000930164108 646468969 /nfs/dbraw/zinc/46/89/69/646468969.db2.gz WMDCGMYQSHLBCI-KOLCDFICSA-N 1 2 238.331 1.785 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)C[C@@H]1O ZINC000930164108 646468976 /nfs/dbraw/zinc/46/89/76/646468976.db2.gz WMDCGMYQSHLBCI-KOLCDFICSA-N 1 2 238.331 1.785 20 0 BDADLO FC1=CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000930176300 646478321 /nfs/dbraw/zinc/47/83/21/646478321.db2.gz WGJYUSRYLRFTAP-ADEWGFFLSA-N 1 2 227.279 1.349 20 0 BDADLO FC1=CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000930176300 646478325 /nfs/dbraw/zinc/47/83/25/646478325.db2.gz WGJYUSRYLRFTAP-ADEWGFFLSA-N 1 2 227.279 1.349 20 0 BDADLO C[C@H]([NH2+][C@H]1CNOC1)c1cccnc1Cl ZINC000925868819 646520271 /nfs/dbraw/zinc/52/02/71/646520271.db2.gz UMFJHUICUBWRPZ-YUMQZZPRSA-N 1 2 227.695 1.289 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cnn(C)n1 ZINC000926128909 646580656 /nfs/dbraw/zinc/58/06/56/646580656.db2.gz YOUOSVCQNNACBH-IUCAKERBSA-N 1 2 249.293 1.761 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cncc(F)c1 ZINC000926128907 646580731 /nfs/dbraw/zinc/58/07/31/646580731.db2.gz YOUOSVCQNNACBH-BDAKNGLRSA-N 1 2 249.293 1.761 20 0 BDADLO CCCN(CC)C(=O)C[C@H]([NH3+])C(F)F ZINC000724727287 711609652 /nfs/dbraw/zinc/60/96/52/711609652.db2.gz LWIRBNVXAQQMAZ-ZETCQYMHSA-N 1 2 208.252 1.227 20 0 BDADLO [NH3+][C@@H](CC(=O)N1CCCCCCC1)C(F)F ZINC000724750441 711610843 /nfs/dbraw/zinc/61/08/43/711610843.db2.gz DPMWDQLTUVSODL-VIFPVBQESA-N 1 2 234.290 1.762 20 0 BDADLO FC(F)(F)[C@@H]1CC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000722389492 711752954 /nfs/dbraw/zinc/75/29/54/711752954.db2.gz OHQJDUDINDYLFI-BDAKNGLRSA-N 1 2 249.236 1.609 20 0 BDADLO CC[NH+]1CC(NC(=O)c2occc2C)C1 ZINC001030104855 711826333 /nfs/dbraw/zinc/82/63/33/711826333.db2.gz ZKEOEZMRSNMNIE-UHFFFAOYSA-N 1 2 208.261 1.022 20 0 BDADLO C[C@H](O)CCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000227715875 711832765 /nfs/dbraw/zinc/83/27/65/711832765.db2.gz LHDAKPPSGKZBJB-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO COCC(COC)[NH2+][C@H](C)c1cscn1 ZINC000388394727 711874576 /nfs/dbraw/zinc/87/45/76/711874576.db2.gz GQRXKZACBCDBRM-MRVPVSSYSA-N 1 2 230.333 1.455 20 0 BDADLO CCc1cc(N2CCOCC2)nc(CC)[nH+]1 ZINC000139469655 711897218 /nfs/dbraw/zinc/89/72/18/711897218.db2.gz OSRCJQXNEZGJDA-UHFFFAOYSA-N 1 2 221.304 1.438 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001032844549 711962164 /nfs/dbraw/zinc/96/21/64/711962164.db2.gz CCOVFJQZHWAASF-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001032844549 711962168 /nfs/dbraw/zinc/96/21/68/711962168.db2.gz CCOVFJQZHWAASF-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000701798447 712029313 /nfs/dbraw/zinc/02/93/13/712029313.db2.gz SDWLAQPNAYEZDX-GFCCVEGCSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000701798447 712029315 /nfs/dbraw/zinc/02/93/15/712029315.db2.gz SDWLAQPNAYEZDX-GFCCVEGCSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@@H]([NH2+]C1CCC(O)CC1)C(=O)OC(C)(C)C ZINC000707231934 712167051 /nfs/dbraw/zinc/16/70/51/712167051.db2.gz SSEFIXZGAUURJI-KPPDAEKUSA-N 1 2 243.347 1.610 20 0 BDADLO CCOC(=O)c1ncc(C[NH+]2CC(C)C2)s1 ZINC000711393376 712297448 /nfs/dbraw/zinc/29/74/48/712297448.db2.gz MILJPYXNPAYGCF-UHFFFAOYSA-N 1 2 240.328 1.772 20 0 BDADLO Cc1nn(C)c(C[NH2+]CCF)c1Cl ZINC000379352421 712374904 /nfs/dbraw/zinc/37/49/04/712374904.db2.gz BHVJVUQNCKSRNW-UHFFFAOYSA-N 1 2 205.664 1.441 20 0 BDADLO Nc1cc(COC(=O)c2cccs2)cc[nH+]1 ZINC000390287253 712393207 /nfs/dbraw/zinc/39/32/07/712393207.db2.gz XIITXRQIRVWDSS-UHFFFAOYSA-N 1 2 234.280 1.913 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OC/C=C/Cl)C1 ZINC000805475790 712414685 /nfs/dbraw/zinc/41/46/85/712414685.db2.gz XOORFJKLUBPAHH-CDAZIORVSA-N 1 2 233.695 1.003 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OC/C=C/Cl)C1 ZINC000805475790 712414687 /nfs/dbraw/zinc/41/46/87/712414687.db2.gz XOORFJKLUBPAHH-CDAZIORVSA-N 1 2 233.695 1.003 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccns1 ZINC000716001234 712552091 /nfs/dbraw/zinc/55/20/91/712552091.db2.gz WQEJMPRZACOUPV-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C(C)(C)O)CC2)[nH]1 ZINC000716397194 712558068 /nfs/dbraw/zinc/55/80/68/712558068.db2.gz ZXXSNSSIFDEQEP-UHFFFAOYSA-N 1 2 238.335 1.096 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ncc[nH]1 ZINC000866463153 712621580 /nfs/dbraw/zinc/62/15/80/712621580.db2.gz KEOZANAUVAYIQL-ACZMJKKPSA-N 1 2 237.225 1.372 20 0 BDADLO CNc1cc(N2CCO[C@H](C)[C@H]2C)nc[nH+]1 ZINC000380493454 712901195 /nfs/dbraw/zinc/90/11/95/712901195.db2.gz BGVFEDIKBCEEJT-RKDXNWHRSA-N 1 2 222.292 1.132 20 0 BDADLO CNc1cc(N2CCO[C@H](C)[C@H]2C)[nH+]cn1 ZINC000380493454 712901196 /nfs/dbraw/zinc/90/11/96/712901196.db2.gz BGVFEDIKBCEEJT-RKDXNWHRSA-N 1 2 222.292 1.132 20 0 BDADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001039492393 710739799 /nfs/dbraw/zinc/73/97/99/710739799.db2.gz CCBCTVWSZBSLGH-FCVNMTFCSA-N 1 2 242.750 1.824 20 0 BDADLO CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001039492393 710739802 /nfs/dbraw/zinc/73/98/02/710739802.db2.gz CCBCTVWSZBSLGH-FCVNMTFCSA-N 1 2 242.750 1.824 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2sccc2C)C1 ZINC001042421728 710782789 /nfs/dbraw/zinc/78/27/89/710782789.db2.gz HIMVMIRSOBHTBX-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccc(C)o2)C1 ZINC001042447713 710784913 /nfs/dbraw/zinc/78/49/13/710784913.db2.gz FOCNBPQNXNMIBK-UHFFFAOYSA-N 1 2 222.288 1.364 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)on2)C1 ZINC001043495850 710807144 /nfs/dbraw/zinc/80/71/44/710807144.db2.gz MALGWGFXHNUYIK-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CCc1ccoc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001043764556 710813267 /nfs/dbraw/zinc/81/32/67/710813267.db2.gz LJIKGFORNGYSQN-UHFFFAOYSA-N 1 2 236.315 1.618 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2conc2C2CC2)C1 ZINC001043833606 710814879 /nfs/dbraw/zinc/81/48/79/710814879.db2.gz GFTJSPNXADAWLK-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(Cl)no2)C1 ZINC001044217113 710821190 /nfs/dbraw/zinc/82/11/90/710821190.db2.gz GOSOAKFWHSOOQY-UHFFFAOYSA-N 1 2 243.694 1.104 20 0 BDADLO CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068086422 710996661 /nfs/dbraw/zinc/99/66/61/710996661.db2.gz OXRGAYKBYGZVIS-LLVKDONJSA-N 1 2 248.330 1.136 20 0 BDADLO COC(OC)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000386171660 711023901 /nfs/dbraw/zinc/02/39/01/711023901.db2.gz YYJIKTSSJSOVIA-SSDOTTSWSA-N 1 2 241.316 1.112 20 0 BDADLO CC1(C(=O)OCc2cc[nH+]c(N)c2)CCC1 ZINC000390315786 711113297 /nfs/dbraw/zinc/11/32/97/711113297.db2.gz HEXGVYJCJPGVDU-UHFFFAOYSA-N 1 2 220.272 1.728 20 0 BDADLO Cc1cc([C@H](C)N[C@H]2CC[N@H+](C)C2)n(C)n1 ZINC000390420788 711116902 /nfs/dbraw/zinc/11/69/02/711116902.db2.gz JNVNKENNPBTMCJ-QWRGUYRKSA-N 1 2 222.336 1.083 20 0 BDADLO Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)C2)n(C)n1 ZINC000390420788 711116907 /nfs/dbraw/zinc/11/69/07/711116907.db2.gz JNVNKENNPBTMCJ-QWRGUYRKSA-N 1 2 222.336 1.083 20 0 BDADLO Cc1nnc(C[NH2+]C/C=C\Cl)s1 ZINC000391983718 711143745 /nfs/dbraw/zinc/14/37/45/711143745.db2.gz QCAIXBODUBABNQ-IHWYPQMZSA-N 1 2 203.698 1.689 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(Cl)nc1 ZINC000390820412 711135850 /nfs/dbraw/zinc/13/58/50/711135850.db2.gz WCAGVOSIAUIFHB-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO Cc1nnc(C[NH2+]C2COC(C)(C)OC2)s1 ZINC000391917214 711141867 /nfs/dbraw/zinc/14/18/67/711141867.db2.gz AJCUEPCWZCZZMB-UHFFFAOYSA-N 1 2 243.332 1.088 20 0 BDADLO CNc1cc(N[C@@H](C)c2csnn2)nc[nH+]1 ZINC000398288268 711406504 /nfs/dbraw/zinc/40/65/04/711406504.db2.gz HECRFSLSQBIBKH-LURJTMIESA-N 1 2 236.304 1.543 20 0 BDADLO CNc1cc(N[C@@H](C)c2csnn2)[nH+]cn1 ZINC000398288268 711406507 /nfs/dbraw/zinc/40/65/07/711406507.db2.gz HECRFSLSQBIBKH-LURJTMIESA-N 1 2 236.304 1.543 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399306470 711426752 /nfs/dbraw/zinc/42/67/52/711426752.db2.gz PZJFKIUYDNACLX-MNOVXSKESA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399306470 711426759 /nfs/dbraw/zinc/42/67/59/711426759.db2.gz PZJFKIUYDNACLX-MNOVXSKESA-N 1 2 229.320 1.175 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cccnc1 ZINC000381196299 710607944 /nfs/dbraw/zinc/60/79/44/710607944.db2.gz AYQKRBMFMMAQFB-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO CO[C@@H](C[NH2+]Cc1nccn1C)C(F)(F)F ZINC000381300373 710619120 /nfs/dbraw/zinc/61/91/20/710619120.db2.gz IANHXYWAFOBMMK-ZETCQYMHSA-N 1 2 237.225 1.087 20 0 BDADLO C[C@H]1C[N@H+](Cc2scnc2Cl)CC[C@H]1O ZINC000721929761 710692134 /nfs/dbraw/zinc/69/21/34/710692134.db2.gz PZAZZJKHMSTLBD-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2scnc2Cl)CC[C@H]1O ZINC000721929761 710692137 /nfs/dbraw/zinc/69/21/37/710692137.db2.gz PZAZZJKHMSTLBD-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CN(C(=O)C(C)(C)F)C1C[NH+](CCCF)C1 ZINC001042405147 710780485 /nfs/dbraw/zinc/78/04/85/710780485.db2.gz PNHDPWBRFFATFP-UHFFFAOYSA-N 1 2 234.290 1.237 20 0 BDADLO CNc1cc(N(C)Cc2nccs2)nc[nH+]1 ZINC000387481528 711044117 /nfs/dbraw/zinc/04/41/17/711044117.db2.gz YHGOSJYFIUGEGC-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CNc1cc(N(C)Cc2nccs2)[nH+]cn1 ZINC000387481528 711044122 /nfs/dbraw/zinc/04/41/22/711044122.db2.gz YHGOSJYFIUGEGC-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO CNc1cc(N[C@H](C)[C@H](OC)C2CC2)nc[nH+]1 ZINC000388294120 711057879 /nfs/dbraw/zinc/05/78/79/711057879.db2.gz YQVOLXBSMDVVMP-PELKAZGASA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@H](C)[C@H](OC)C2CC2)[nH+]cn1 ZINC000388294120 711057885 /nfs/dbraw/zinc/05/78/85/711057885.db2.gz YQVOLXBSMDVVMP-PELKAZGASA-N 1 2 236.319 1.744 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc3ccccc3o2)n1 ZINC000389818337 711090386 /nfs/dbraw/zinc/09/03/86/711090386.db2.gz WDBPMAOIOBLFPY-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCc3cccnc32)[nH]1 ZINC000392413033 711147041 /nfs/dbraw/zinc/14/70/41/711147041.db2.gz DSODMOAMHPGJON-GZMMTYOYSA-N 1 2 243.314 1.846 20 0 BDADLO CC(C)C1(O)C[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC000307975187 711501740 /nfs/dbraw/zinc/50/17/40/711501740.db2.gz FMHWXNGQDTUGQS-MRVPVSSYSA-N 1 2 241.253 1.002 20 0 BDADLO CN1C[C@H](CCNc2cccc[nH+]2)CC1=O ZINC000723360345 711508585 /nfs/dbraw/zinc/50/85/85/711508585.db2.gz WBJJNAIRCKAHLV-SNVBAGLBSA-N 1 2 219.288 1.362 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2nn(C)cc2C)cn1 ZINC000723490744 711513211 /nfs/dbraw/zinc/51/32/11/711513211.db2.gz WPXNVZSTHYMGDW-LLVKDONJSA-N 1 2 247.346 1.796 20 0 BDADLO c1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)no1 ZINC000083444244 711537910 /nfs/dbraw/zinc/53/79/10/711537910.db2.gz HWLZDBOGRZJQOR-UHFFFAOYSA-N 1 2 233.275 1.172 20 0 BDADLO CC(C)(C)c1coc(C[NH+]2CCC(O)CC2)n1 ZINC000724412850 711578800 /nfs/dbraw/zinc/57/88/00/711578800.db2.gz IWKUQHBZRZZDFT-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1=O ZINC000309055714 711585849 /nfs/dbraw/zinc/58/58/49/711585849.db2.gz UHSSFOIMFJDAMF-IVZWLZJFSA-N 1 2 229.345 1.566 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(F)c2F)C1 ZINC000383110883 711672470 /nfs/dbraw/zinc/67/24/70/711672470.db2.gz QZUHFWMEXVWXRV-UHFFFAOYSA-N 1 2 240.253 1.399 20 0 BDADLO O=C(NC[C@@H]1CCC[N@H+]1CCF)c1ccco1 ZINC001027723424 711733575 /nfs/dbraw/zinc/73/35/75/711733575.db2.gz CMVFSUVIACEHQQ-JTQLQIEISA-N 1 2 240.278 1.443 20 0 BDADLO O=C(NC[C@@H]1CCC[N@@H+]1CCF)c1ccco1 ZINC001027723424 711733576 /nfs/dbraw/zinc/73/35/76/711733576.db2.gz CMVFSUVIACEHQQ-JTQLQIEISA-N 1 2 240.278 1.443 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@@H](C3CC3)O2)nc(N)[nH+]1 ZINC000722327368 711737904 /nfs/dbraw/zinc/73/79/04/711737904.db2.gz ADTWAXMMETUTNQ-UWVGGRQHSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CC[C@@H](C3CC3)O2)[nH+]1 ZINC000722327368 711737905 /nfs/dbraw/zinc/73/79/05/711737905.db2.gz ADTWAXMMETUTNQ-UWVGGRQHSA-N 1 2 249.318 1.132 20 0 BDADLO Fc1c[nH+]ccc1NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896078413 711781890 /nfs/dbraw/zinc/78/18/90/711781890.db2.gz KUJGEKJBBVULMA-AXFHLTTASA-N 1 2 234.274 1.646 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1(C)CCC1 ZINC000590117039 711826594 /nfs/dbraw/zinc/82/65/94/711826594.db2.gz CVSKGBSPZATHQD-UWVGGRQHSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1(C)CCC1 ZINC000590117039 711826595 /nfs/dbraw/zinc/82/65/95/711826595.db2.gz CVSKGBSPZATHQD-UWVGGRQHSA-N 1 2 229.295 1.762 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2cccn2C)C1 ZINC001030104398 711826607 /nfs/dbraw/zinc/82/66/07/711826607.db2.gz QLKIUTMSELMVMB-UHFFFAOYSA-N 1 2 247.342 1.405 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccsc2)C1 ZINC000084376752 711924771 /nfs/dbraw/zinc/92/47/71/711924771.db2.gz LEBVPQCMHXGHED-UHFFFAOYSA-N 1 2 211.330 1.951 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1c(F)cncc1F ZINC000929271205 711958425 /nfs/dbraw/zinc/95/84/25/711958425.db2.gz QSGRKQWQCSULRX-SECBINFHSA-N 1 2 242.269 1.707 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1c(F)cncc1F ZINC000929271205 711958427 /nfs/dbraw/zinc/95/84/27/711958427.db2.gz QSGRKQWQCSULRX-SECBINFHSA-N 1 2 242.269 1.707 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CCC[C@H]2O)s1 ZINC000708632880 711960412 /nfs/dbraw/zinc/96/04/12/711960412.db2.gz GYGVMBPQCNLSMQ-RKDXNWHRSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)s1 ZINC000708632880 711960413 /nfs/dbraw/zinc/96/04/13/711960413.db2.gz GYGVMBPQCNLSMQ-RKDXNWHRSA-N 1 2 241.360 1.446 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001032848075 711962699 /nfs/dbraw/zinc/96/26/99/711962699.db2.gz QJWXBAUGPPTZKS-CMPLNLGQSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001032848075 711962700 /nfs/dbraw/zinc/96/27/00/711962700.db2.gz QJWXBAUGPPTZKS-CMPLNLGQSA-N 1 2 248.330 1.090 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCCC1 ZINC000132525903 711964784 /nfs/dbraw/zinc/96/47/84/711964784.db2.gz WRCLXAPSBGTRKH-NSHDSACASA-N 1 2 236.319 1.467 20 0 BDADLO Cc1nnc(NCc2[nH]c(C)c(C)[nH+]2)n1C1CC1 ZINC000922665231 711975309 /nfs/dbraw/zinc/97/53/09/711975309.db2.gz ZZCLSBZVYUYLRQ-UHFFFAOYSA-N 1 2 246.318 1.873 20 0 BDADLO Nc1ccc(COC(=O)CC2(O)CCC2)c[nH+]1 ZINC000922785969 711976147 /nfs/dbraw/zinc/97/61/47/711976147.db2.gz WBDJZDJXCHYUHA-UHFFFAOYSA-N 1 2 236.271 1.012 20 0 BDADLO Fc1nc(F)c(F)c(NCC[NH+]2CCC2)c1F ZINC000700096672 711986083 /nfs/dbraw/zinc/98/60/83/711986083.db2.gz BRHQVKUHBCVYIM-UHFFFAOYSA-N 1 2 249.211 1.756 20 0 BDADLO CNc1cc(NC2CCC(OC)CC2)[nH+]cn1 ZINC000703806255 712088972 /nfs/dbraw/zinc/08/89/72/712088972.db2.gz DYZYOIPJUUXGNU-UHFFFAOYSA-N 1 2 236.319 1.888 20 0 BDADLO Clc1cnc(C[N@H+]2CC[C@@H]3C[C@@H]32)cn1 ZINC000706766899 712154762 /nfs/dbraw/zinc/15/47/62/712154762.db2.gz XTAUSQQMAQBHOM-APPZFPTMSA-N 1 2 209.680 1.724 20 0 BDADLO Clc1cnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cn1 ZINC000706766899 712154759 /nfs/dbraw/zinc/15/47/59/712154759.db2.gz XTAUSQQMAQBHOM-APPZFPTMSA-N 1 2 209.680 1.724 20 0 BDADLO Clc1cnc(C[N@@H+]2CC[C@H]3C[C@H]32)cn1 ZINC000706766901 712154812 /nfs/dbraw/zinc/15/48/12/712154812.db2.gz XTAUSQQMAQBHOM-IONNQARKSA-N 1 2 209.680 1.724 20 0 BDADLO Clc1cnc(C[N@H+]2CC[C@H]3C[C@H]32)cn1 ZINC000706766901 712154814 /nfs/dbraw/zinc/15/48/14/712154814.db2.gz XTAUSQQMAQBHOM-IONNQARKSA-N 1 2 209.680 1.724 20 0 BDADLO COc1ncccc1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710013750 712240881 /nfs/dbraw/zinc/24/08/81/712240881.db2.gz PVTTZSXNGMXYLT-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)OC ZINC000710846925 712258932 /nfs/dbraw/zinc/25/89/32/712258932.db2.gz YAYUTZRQJLJOFL-VLEAKVRGSA-N 1 2 229.320 1.199 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)C(=O)OC ZINC000711484632 712306578 /nfs/dbraw/zinc/30/65/78/712306578.db2.gz OGJHXWHLHIYZDY-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000379101158 712369760 /nfs/dbraw/zinc/36/97/60/712369760.db2.gz OFHWYJHCPGQSEW-UHFFFAOYSA-N 1 2 243.310 1.602 20 0 BDADLO C[C@@]1(C(F)(F)F)C[N@H+](CCCCO)CCO1 ZINC000712797481 712449308 /nfs/dbraw/zinc/44/93/08/712449308.db2.gz SUISXKZNNLCCRI-VIFPVBQESA-N 1 2 241.253 1.412 20 0 BDADLO C[C@@]1(C(F)(F)F)C[N@@H+](CCCCO)CCO1 ZINC000712797481 712449309 /nfs/dbraw/zinc/44/93/09/712449309.db2.gz SUISXKZNNLCCRI-VIFPVBQESA-N 1 2 241.253 1.412 20 0 BDADLO Cc1nc(CNC[C@@H]2CC[N@H+]2C)cs1 ZINC000712600618 712437061 /nfs/dbraw/zinc/43/70/61/712437061.db2.gz OSZICUYPHFAFGY-JTQLQIEISA-N 1 2 211.334 1.245 20 0 BDADLO Cc1nc(CNC[C@@H]2CC[N@@H+]2C)cs1 ZINC000712600618 712437063 /nfs/dbraw/zinc/43/70/63/712437063.db2.gz OSZICUYPHFAFGY-JTQLQIEISA-N 1 2 211.334 1.245 20 0 BDADLO C[N@@H+]1CC[C@H]1CNCc1csc(C2CC2)n1 ZINC000712568127 712446853 /nfs/dbraw/zinc/44/68/53/712446853.db2.gz BQIWMKUVNFETSU-NSHDSACASA-N 1 2 237.372 1.814 20 0 BDADLO C[N@H+]1CC[C@H]1CNCc1csc(C2CC2)n1 ZINC000712568127 712446854 /nfs/dbraw/zinc/44/68/54/712446854.db2.gz BQIWMKUVNFETSU-NSHDSACASA-N 1 2 237.372 1.814 20 0 BDADLO CCCn1cc(C[NH2+]Cc2c[nH]nc2C)nn1 ZINC000714507178 712492675 /nfs/dbraw/zinc/49/26/75/712492675.db2.gz JKKQCQZQRWYOIT-UHFFFAOYSA-N 1 2 234.307 1.009 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1cc[nH+]cc1F ZINC000716812609 712576246 /nfs/dbraw/zinc/57/62/46/712576246.db2.gz CABYDHMSRYDQHG-DTWKUNHWSA-N 1 2 212.268 1.604 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1cc[nH+]c(C)n1 ZINC000716874549 712579793 /nfs/dbraw/zinc/57/97/93/712579793.db2.gz VHNHWXYZDMVCSR-PSASIEDQSA-N 1 2 209.293 1.746 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1[nH+]cnc2c1cnn2C ZINC000716914549 712582056 /nfs/dbraw/zinc/58/20/56/712582056.db2.gz HMBAUEPRARQBES-DTWKUNHWSA-N 1 2 249.318 1.325 20 0 BDADLO COCOCCCNc1cc[nH+]c(C)n1 ZINC000717611797 712662466 /nfs/dbraw/zinc/66/24/66/712662466.db2.gz URIPDWFQSRHGQU-UHFFFAOYSA-N 1 2 211.265 1.208 20 0 BDADLO CCCNc1cc(N2C[C@@H](O)C[C@@H]2C)nc[nH+]1 ZINC000384866543 712703777 /nfs/dbraw/zinc/70/37/77/712703777.db2.gz PKEDLTQHPCMLLO-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO CCCNc1cc(N2C[C@@H](O)C[C@@H]2C)[nH+]cn1 ZINC000384866543 712703780 /nfs/dbraw/zinc/70/37/80/712703780.db2.gz PKEDLTQHPCMLLO-UWVGGRQHSA-N 1 2 236.319 1.258 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccco1 ZINC000380193138 712710591 /nfs/dbraw/zinc/71/05/91/712710591.db2.gz XUVZMMIKFSABOB-SNAWJCMRSA-N 1 2 231.255 1.641 20 0 BDADLO c1cc2n(c1)CC[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000932523721 712717641 /nfs/dbraw/zinc/71/76/41/712717641.db2.gz BLQVSBVRZNIZPL-ZDUSSCGKSA-N 1 2 236.315 1.109 20 0 BDADLO c1cc2n(c1)CC[N@H+](CCO[C@H]1CCOC1)C2 ZINC000932523721 712717643 /nfs/dbraw/zinc/71/76/43/712717643.db2.gz BLQVSBVRZNIZPL-ZDUSSCGKSA-N 1 2 236.315 1.109 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CO)C(C)(C)C ZINC000193097373 712727537 /nfs/dbraw/zinc/72/75/37/712727537.db2.gz JYDGRDCBLLRVSH-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2C[C@H](C)CO2)n1 ZINC000718427316 712760622 /nfs/dbraw/zinc/76/06/22/712760622.db2.gz ODEATUPCMAJBIM-JGVFFNPUSA-N 1 2 211.265 1.277 20 0 BDADLO CO[C@]1(C[NH2+]Cc2ccn[nH]2)CCSC1 ZINC000719270976 712802544 /nfs/dbraw/zinc/80/25/44/712802544.db2.gz WTDPAURMCDNEIH-JTQLQIEISA-N 1 2 227.333 1.021 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000719706500 712823433 /nfs/dbraw/zinc/82/34/33/712823433.db2.gz JJDSSGOLJRLKLJ-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000719706500 712823435 /nfs/dbraw/zinc/82/34/35/712823435.db2.gz JJDSSGOLJRLKLJ-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CC(F)(F)C1 ZINC000720519989 712848310 /nfs/dbraw/zinc/84/83/10/712848310.db2.gz IYRAIANYNAQCSE-UHFFFAOYSA-N 1 2 243.257 1.770 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cn(C)nn2)cn1 ZINC000720602805 712857601 /nfs/dbraw/zinc/85/76/01/712857601.db2.gz NVGNOBVZPXYSII-NXEZZACHSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cn(C)nn1 ZINC000720607899 712858768 /nfs/dbraw/zinc/85/87/68/712858768.db2.gz WZEQGWMBNRSUDC-IUCAKERBSA-N 1 2 249.293 1.761 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788081 712865619 /nfs/dbraw/zinc/86/56/19/712865619.db2.gz IGDDSVRNTPHMIE-SRVKXCTJSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788081 712865620 /nfs/dbraw/zinc/86/56/20/712865620.db2.gz IGDDSVRNTPHMIE-SRVKXCTJSA-N 1 2 241.331 1.439 20 0 BDADLO CC(=O)N1CCC(C[N@H+]2CCC(F)(F)C2)CC1 ZINC001208674060 957118452 /nfs/dbraw/zinc/11/84/52/957118452.db2.gz ZYOQRXSQXPUERH-UHFFFAOYSA-N 1 2 246.301 1.586 20 0 BDADLO CCC[C@H](C)CN1CC[NH2+]CC(F)(F)C1 ZINC001210815411 957908481 /nfs/dbraw/zinc/90/84/81/957908481.db2.gz UCFPQPZGQWAKDN-JTQLQIEISA-N 1 2 220.307 1.963 20 0 BDADLO CN(CC1CCCC1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724753600 959362741 /nfs/dbraw/zinc/36/27/41/959362741.db2.gz WTWLLHYTXOQGLK-VIFPVBQESA-N 1 2 234.290 1.618 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001203206903 959417301 /nfs/dbraw/zinc/41/73/01/959417301.db2.gz YFFURMZTTISYRM-CMPLNLGQSA-N 1 2 220.320 1.959 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001203206903 959417305 /nfs/dbraw/zinc/41/73/05/959417305.db2.gz YFFURMZTTISYRM-CMPLNLGQSA-N 1 2 220.320 1.959 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001207409484 959882858 /nfs/dbraw/zinc/88/28/58/959882858.db2.gz ZKSBVYPURAZMFV-QMMMGPOBSA-N 1 2 239.237 1.619 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001207409484 959882864 /nfs/dbraw/zinc/88/28/64/959882864.db2.gz ZKSBVYPURAZMFV-QMMMGPOBSA-N 1 2 239.237 1.619 20 0 BDADLO CCC[C@@H](C)C(=O)NC1C[NH+](CCOCC)C1 ZINC001267640712 960158052 /nfs/dbraw/zinc/15/80/52/960158052.db2.gz MBRVEOSKDCBRPK-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(CCO)Nc1ccn2cc[nH+]c2c1 ZINC001167739205 960356581 /nfs/dbraw/zinc/35/65/81/960356581.db2.gz KAORYNUJOSSANC-UHFFFAOYSA-N 1 2 219.288 1.907 20 0 BDADLO COCC1C[NH+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141012088 960815819 /nfs/dbraw/zinc/81/58/19/960815819.db2.gz SMEWDOYSAIIYLN-UHFFFAOYSA-N 1 2 249.236 1.507 20 0 BDADLO CCCNc1cc(-n2cncn2)nc(C)[nH+]1 ZINC000087839306 961764293 /nfs/dbraw/zinc/76/42/93/961764293.db2.gz UZVZTACLIOWOMZ-UHFFFAOYSA-N 1 2 218.264 1.188 20 0 BDADLO CC(C)CCCC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001269311820 962597322 /nfs/dbraw/zinc/59/73/22/962597322.db2.gz WDZWLGYNCIDAKN-GFCCVEGCSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)CCCC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001269311820 962597335 /nfs/dbraw/zinc/59/73/35/962597335.db2.gz WDZWLGYNCIDAKN-GFCCVEGCSA-N 1 2 244.354 1.973 20 0 BDADLO COc1c[nH+]c(N[C@H]2C[C@@H](CO)C2)c(C)c1 ZINC001157460872 963621707 /nfs/dbraw/zinc/62/17/07/963621707.db2.gz YGVKTBAHNWKECG-AOOOYVTPSA-N 1 2 222.288 1.581 20 0 BDADLO C[C@H](CC(C)(C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001158385658 963858119 /nfs/dbraw/zinc/85/81/19/963858119.db2.gz HEYIODWSQOUKND-SECBINFHSA-N 1 2 239.319 1.008 20 0 BDADLO C[C@H](CC(C)(C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001158385658 963858125 /nfs/dbraw/zinc/85/81/25/963858125.db2.gz HEYIODWSQOUKND-SECBINFHSA-N 1 2 239.319 1.008 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C(F)F)CC1 ZINC000697562126 964323064 /nfs/dbraw/zinc/32/30/64/964323064.db2.gz AYYSWCPTXVTJFB-UHFFFAOYSA-N 1 2 229.230 1.380 20 0 BDADLO CCC1(Nc2ccc(OC)c(C)[nH+]2)COC1 ZINC001168325537 964449188 /nfs/dbraw/zinc/44/91/88/964449188.db2.gz UVUALCXQHUGREC-UHFFFAOYSA-N 1 2 222.288 1.990 20 0 BDADLO Cc1ncc(CNc2cc[nH+]c(C)n2)cn1 ZINC001168386989 965113776 /nfs/dbraw/zinc/11/37/76/965113776.db2.gz MMVUZEKHTGAHFK-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO Cc1ccc[nH+]c1NCCNC(=O)C(F)(F)F ZINC001164236008 965810389 /nfs/dbraw/zinc/81/03/89/965810389.db2.gz DKNJQPUPAGGCMI-UHFFFAOYSA-N 1 2 247.220 1.480 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccco1 ZINC001203283513 966596327 /nfs/dbraw/zinc/59/63/27/966596327.db2.gz IIPHSAWWYJJNGP-NSHDSACASA-N 1 2 225.288 1.909 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccco1 ZINC001203283513 966596339 /nfs/dbraw/zinc/59/63/39/966596339.db2.gz IIPHSAWWYJJNGP-NSHDSACASA-N 1 2 225.288 1.909 20 0 BDADLO Cn1cccc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001203265668 966591411 /nfs/dbraw/zinc/59/14/11/966591411.db2.gz MJQKOADBCSYSMR-UHFFFAOYSA-N 1 2 220.316 1.826 20 0 BDADLO Cn1cccc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001203265668 966591414 /nfs/dbraw/zinc/59/14/14/966591414.db2.gz MJQKOADBCSYSMR-UHFFFAOYSA-N 1 2 220.316 1.826 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC001485574392 966617784 /nfs/dbraw/zinc/61/77/84/966617784.db2.gz RBQCJFBJSRDORA-ZJUUUORDSA-N 1 2 248.317 1.531 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC001485574392 966617796 /nfs/dbraw/zinc/61/77/96/966617796.db2.gz RBQCJFBJSRDORA-ZJUUUORDSA-N 1 2 248.317 1.531 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3ccsc3)C2)C1 ZINC001204040356 966865560 /nfs/dbraw/zinc/86/55/60/966865560.db2.gz URIDSBXNLWBGMV-NSHDSACASA-N 1 2 240.347 1.976 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3ccsc3)C2)C1 ZINC001204040356 966865563 /nfs/dbraw/zinc/86/55/63/966865563.db2.gz URIDSBXNLWBGMV-NSHDSACASA-N 1 2 240.347 1.976 20 0 BDADLO F[C@H]1CCN(C2C[NH+](Cc3ccsc3)C2)C1 ZINC001204040356 966865571 /nfs/dbraw/zinc/86/55/71/966865571.db2.gz URIDSBXNLWBGMV-NSHDSACASA-N 1 2 240.347 1.976 20 0 BDADLO COc1cc(C[N@H+](C)C2COC2)ccc1F ZINC001204560625 967058000 /nfs/dbraw/zinc/05/80/00/967058000.db2.gz FGYONZLWEKWKGO-UHFFFAOYSA-N 1 2 225.263 1.665 20 0 BDADLO COc1cc(C[N@@H+](C)C2COC2)ccc1F ZINC001204560625 967058012 /nfs/dbraw/zinc/05/80/12/967058012.db2.gz FGYONZLWEKWKGO-UHFFFAOYSA-N 1 2 225.263 1.665 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001205137886 967384114 /nfs/dbraw/zinc/38/41/14/967384114.db2.gz CJPGYYUVNKVOOZ-VIFPVBQESA-N 1 2 229.274 1.897 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001205137886 967384128 /nfs/dbraw/zinc/38/41/28/967384128.db2.gz CJPGYYUVNKVOOZ-VIFPVBQESA-N 1 2 229.274 1.897 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001250973376 968234242 /nfs/dbraw/zinc/23/42/42/968234242.db2.gz BMMOTSBOAWRSKK-YIZRAAEISA-N 1 2 239.237 1.163 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001250973376 968234256 /nfs/dbraw/zinc/23/42/56/968234256.db2.gz BMMOTSBOAWRSKK-YIZRAAEISA-N 1 2 239.237 1.163 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164109403 968509210 /nfs/dbraw/zinc/50/92/10/968509210.db2.gz QBIUTAZNJVMFFI-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO CCCC[C@H](O)C[NH+]1CC(N2CCCC2)C1 ZINC001252090564 968511408 /nfs/dbraw/zinc/51/14/08/968511408.db2.gz XFNKVMWFXFYLGP-ZDUSSCGKSA-N 1 2 226.364 1.318 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCN2CC[C@H]2C1 ZINC001206988618 968528987 /nfs/dbraw/zinc/52/89/87/968528987.db2.gz APIITNDXHGLJCU-JTQLQIEISA-N 1 2 223.345 1.341 20 0 BDADLO Cc1ncsc1C[N@H+]1CCN2CC[C@H]2C1 ZINC001206988618 968528990 /nfs/dbraw/zinc/52/89/90/968528990.db2.gz APIITNDXHGLJCU-JTQLQIEISA-N 1 2 223.345 1.341 20 0 BDADLO CCCC[C@@H](O)C[N@H+]1CCn2nccc2C1 ZINC001252096041 968577849 /nfs/dbraw/zinc/57/78/49/968577849.db2.gz HRNFKCBRFKGPFV-GFCCVEGCSA-N 1 2 223.320 1.250 20 0 BDADLO CC(=O)NC1C[NH+](C[C@@H](C)C(F)(F)F)C1 ZINC001208894438 969280824 /nfs/dbraw/zinc/28/08/24/969280824.db2.gz SJYSHWJHTSQQNX-ZCFIWIBFSA-N 1 2 224.226 1.005 20 0 BDADLO CCOC(C)(C)CN1CCn2c(c[nH+]c2C)C1 ZINC001209068204 969346636 /nfs/dbraw/zinc/34/66/36/969346636.db2.gz PCQCGEQPUDIIBL-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO CC(C)c1nc(C[NH2+]C[C@@H](O)C(C)C)no1 ZINC001253777830 969398673 /nfs/dbraw/zinc/39/86/73/969398673.db2.gz SVOCMZQLDTYLST-SECBINFHSA-N 1 2 227.308 1.300 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccn1C)CC(C)C ZINC001254017974 969450309 /nfs/dbraw/zinc/45/03/09/969450309.db2.gz BJCYNTGNLVIBLH-UHFFFAOYSA-N 1 2 238.331 1.656 20 0 BDADLO COC(=O)C[N@H+](Cc1cccn1C)CC(C)C ZINC001254017974 969450319 /nfs/dbraw/zinc/45/03/19/969450319.db2.gz BJCYNTGNLVIBLH-UHFFFAOYSA-N 1 2 238.331 1.656 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCCC(=O)CC1 ZINC001209553918 969537129 /nfs/dbraw/zinc/53/71/29/969537129.db2.gz RORQOKDOXVJYCO-UHFFFAOYSA-N 1 2 207.277 1.273 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCCC(=O)CC1 ZINC001209553918 969537133 /nfs/dbraw/zinc/53/71/33/969537133.db2.gz RORQOKDOXVJYCO-UHFFFAOYSA-N 1 2 207.277 1.273 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccno2)[nH]1 ZINC001209575016 969559047 /nfs/dbraw/zinc/55/90/47/969559047.db2.gz FDKOFHSAKBCMIY-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO O=C1C[N@H+]([C@@H]2CCSC2)CCC[C@H]1F ZINC001255281985 970035364 /nfs/dbraw/zinc/03/53/64/970035364.db2.gz IUEOUEWWOPMVIF-RKDXNWHRSA-N 1 2 217.309 1.495 20 0 BDADLO O=C1C[N@@H+]([C@@H]2CCSC2)CCC[C@H]1F ZINC001255281985 970035371 /nfs/dbraw/zinc/03/53/71/970035371.db2.gz IUEOUEWWOPMVIF-RKDXNWHRSA-N 1 2 217.309 1.495 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@H](C)CCCC(C)C ZINC001170057499 970099308 /nfs/dbraw/zinc/09/93/08/970099308.db2.gz KHUZDQOPUHGTSU-GHMZBOCLSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001255646373 970425934 /nfs/dbraw/zinc/42/59/34/970425934.db2.gz NQDRJDDTZKZFIG-LYFYHCNISA-N 1 2 215.190 1.342 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001255646373 970425937 /nfs/dbraw/zinc/42/59/37/970425937.db2.gz NQDRJDDTZKZFIG-LYFYHCNISA-N 1 2 215.190 1.342 20 0 BDADLO CC[C@@H]1C[C@H]([N@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206920 970582136 /nfs/dbraw/zinc/58/21/36/970582136.db2.gz INMDYDBOUGQWBN-GHMZBOCLSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H]1C[C@H]([N@@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206920 970582145 /nfs/dbraw/zinc/58/21/45/970582145.db2.gz INMDYDBOUGQWBN-GHMZBOCLSA-N 1 2 239.319 1.767 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H](O)CC)CCCCC1 ZINC000305077367 970683786 /nfs/dbraw/zinc/68/37/86/970683786.db2.gz LMROJYQQMQGSAT-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO Cc1nc(Cl)c(N)c(=N)n1-c1cc[nH+]cc1 ZINC001173881255 975921960 /nfs/dbraw/zinc/92/19/60/975921960.db2.gz JIZGOXMAXBDAFE-UHFFFAOYSA-N 1 2 235.678 1.291 20 0 BDADLO CCc1cnnc(OC2C[NH+](C(C)C)C2)c1 ZINC001229050349 976676118 /nfs/dbraw/zinc/67/61/18/976676118.db2.gz BQGGSIOMLZLSMF-UHFFFAOYSA-N 1 2 221.304 1.510 20 0 BDADLO CC[N@@H+](Cc1cnc(F)c(C)c1)C1COC1 ZINC001231927065 977795719 /nfs/dbraw/zinc/79/57/19/977795719.db2.gz IQKHZYOIZGCHKH-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO CCOc1ccc(C[N@H+](C)C2COC2)c(C)n1 ZINC001232313370 978004722 /nfs/dbraw/zinc/00/47/22/978004722.db2.gz VOBPRGQZEAMYFM-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO CCOc1ccc(C[N@@H+](C)C2COC2)c(C)n1 ZINC001232313370 978004735 /nfs/dbraw/zinc/00/47/35/978004735.db2.gz VOBPRGQZEAMYFM-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO C[C@@H](C(=O)N(C)CC1CCC1)n1cc[nH+]c1 ZINC001337313614 978281224 /nfs/dbraw/zinc/28/12/24/978281224.db2.gz VAUFDGGFNMLVFO-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO Oc1cccc(C[N@@H+]2CCCOCC2)c1F ZINC001233050186 978443848 /nfs/dbraw/zinc/44/38/48/978443848.db2.gz LRKKQZDQKKVLDA-UHFFFAOYSA-N 1 2 225.263 1.754 20 0 BDADLO Oc1cccc(C[N@H+]2CCCOCC2)c1F ZINC001233050186 978443862 /nfs/dbraw/zinc/44/38/62/978443862.db2.gz LRKKQZDQKKVLDA-UHFFFAOYSA-N 1 2 225.263 1.754 20 0 BDADLO Cc1cc(F)cc(N(C)C[C@@H]2COCCO2)[nH+]1 ZINC001338049821 978599981 /nfs/dbraw/zinc/59/99/81/978599981.db2.gz YEUVRAJXRDTCSO-LLVKDONJSA-N 1 2 240.278 1.381 20 0 BDADLO CC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001277827064 978763129 /nfs/dbraw/zinc/76/31/29/978763129.db2.gz UORQMVKCPXITOX-RQJHMYQMSA-N 1 2 244.232 1.343 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@]2(F)Cl)c1 ZINC001181668271 979241769 /nfs/dbraw/zinc/24/17/69/979241769.db2.gz OVSJAAQPEDHXMN-WCBMZHEXSA-N 1 2 245.685 1.003 20 0 BDADLO Cc1cc(C[N@H+](CCCCO)C2CC2)n[nH]1 ZINC001341567472 979471264 /nfs/dbraw/zinc/47/12/64/979471264.db2.gz GNYYWWNIMWMZFZ-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1cc(C[N@@H+](CCCCO)C2CC2)n[nH]1 ZINC001341567472 979471266 /nfs/dbraw/zinc/47/12/66/979471266.db2.gz GNYYWWNIMWMZFZ-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO COc1ccc(F)c(C[N@H+](C)CCO)c1F ZINC001236256774 979477651 /nfs/dbraw/zinc/47/76/51/979477651.db2.gz TYGMFULWTAZBIE-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO COc1ccc(F)c(C[N@@H+](C)CCO)c1F ZINC001236256774 979477658 /nfs/dbraw/zinc/47/76/58/979477658.db2.gz TYGMFULWTAZBIE-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO COc1cc[nH+]cc1CC(=O)OC(C)C ZINC001250085883 979611073 /nfs/dbraw/zinc/61/10/73/979611073.db2.gz IURASAHMXABDFC-UHFFFAOYSA-N 1 2 209.245 1.584 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+](CCCCO)C2 ZINC001237187467 979831328 /nfs/dbraw/zinc/83/13/28/979831328.db2.gz HKNWWBQFVMQAHV-UHFFFAOYSA-N 1 2 210.277 1.114 20 0 BDADLO C[N@@H+]1CC[C@H]2CN(CC3OC=CC3=S)C[C@H]21 ZINC001237180995 979831697 /nfs/dbraw/zinc/83/16/97/979831697.db2.gz CVEBLWAUDSTTRM-VHSXEESVSA-N 1 2 238.356 1.704 20 0 BDADLO C[N@H+]1CC[C@H]2CN(CC3OC=CC3=S)C[C@H]21 ZINC001237180995 979831699 /nfs/dbraw/zinc/83/16/99/979831699.db2.gz CVEBLWAUDSTTRM-VHSXEESVSA-N 1 2 238.356 1.704 20 0 BDADLO CN1CC[C@H]([N@H+](C)CC2OC=CC2=S)C1 ZINC001237192814 979841188 /nfs/dbraw/zinc/84/11/88/979841188.db2.gz VFYLODAVABPLDW-VIFPVBQESA-N 1 2 226.345 1.704 20 0 BDADLO CN1CC[C@H]([N@@H+](C)CC2OC=CC2=S)C1 ZINC001237192814 979841193 /nfs/dbraw/zinc/84/11/93/979841193.db2.gz VFYLODAVABPLDW-VIFPVBQESA-N 1 2 226.345 1.704 20 0 BDADLO CN(CC1OC=CC1=S)[C@H]1CC[N@H+](C)C1 ZINC001237192814 979841197 /nfs/dbraw/zinc/84/11/97/979841197.db2.gz VFYLODAVABPLDW-VIFPVBQESA-N 1 2 226.345 1.704 20 0 BDADLO CN(CC1OC=CC1=S)[C@H]1CC[N@@H+](C)C1 ZINC001237192814 979841203 /nfs/dbraw/zinc/84/12/03/979841203.db2.gz VFYLODAVABPLDW-VIFPVBQESA-N 1 2 226.345 1.704 20 0 BDADLO CC[NH2+]CCC[NH2+][C@H](C)c1cc(C(=O)[O-])co1 ZINC001605498385 979882711 /nfs/dbraw/zinc/88/27/11/979882711.db2.gz QTISRYSGXSXUQJ-SECBINFHSA-N 1 2 240.303 1.628 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2ncc(C)cn2)C1 ZINC001237811801 980060635 /nfs/dbraw/zinc/06/06/35/980060635.db2.gz XJWKJVXTJFIGNB-JTQLQIEISA-N 1 2 221.304 1.252 20 0 BDADLO C[N@H+](Cc1c(N)ccnc1F)[C@@H]1CCOC1 ZINC001238158767 980183089 /nfs/dbraw/zinc/18/30/89/980183089.db2.gz DOXGXMBRQIQMAR-MRVPVSSYSA-N 1 2 225.267 1.024 20 0 BDADLO C[N@@H+](Cc1c(N)ccnc1F)[C@@H]1CCOC1 ZINC001238158767 980183094 /nfs/dbraw/zinc/18/30/94/980183094.db2.gz DOXGXMBRQIQMAR-MRVPVSSYSA-N 1 2 225.267 1.024 20 0 BDADLO COc1ccc(C[NH+](C)C)c(Br)n1 ZINC001238176928 980209872 /nfs/dbraw/zinc/20/98/72/980209872.db2.gz FEWHKRGVTQTMPL-UHFFFAOYSA-N 1 2 245.120 1.914 20 0 BDADLO COc1cc(C)c(C)cc1C[NH+]1CC(C)(O)C1 ZINC001238757280 980319787 /nfs/dbraw/zinc/31/97/87/980319787.db2.gz CAYCPUUUFVNHLG-UHFFFAOYSA-N 1 2 235.327 1.879 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCSC1)n1cc[nH+]c1 ZINC001344351543 980373275 /nfs/dbraw/zinc/37/32/75/980373275.db2.gz IIZKMUYVRCFMMS-DTWKUNHWSA-N 1 2 225.317 1.066 20 0 BDADLO CC(C)(O)C=Cc1nc2[nH]ccc2c[nH+]1 ZINC001239137055 980457613 /nfs/dbraw/zinc/45/76/13/980457613.db2.gz YLNPTVRIVVVOIN-HWKANZROSA-N 1 2 203.245 1.694 20 0 BDADLO Cc1cncc(C[N@@H+]2CCCC23COC3)n1 ZINC001203169967 980721982 /nfs/dbraw/zinc/72/19/82/980721982.db2.gz DQWMLEQZKGUTBA-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1cncc(C[N@H+]2CCCC23COC3)n1 ZINC001203169967 980721984 /nfs/dbraw/zinc/72/19/84/980721984.db2.gz DQWMLEQZKGUTBA-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cocn1 ZINC001345995769 980726862 /nfs/dbraw/zinc/72/68/62/980726862.db2.gz IHCJRSMXQNXTLR-UHFFFAOYSA-N 1 2 221.216 1.248 20 0 BDADLO C[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)CC(F)F ZINC001346082864 980749544 /nfs/dbraw/zinc/74/95/44/980749544.db2.gz UFFDULCYVRNOBZ-BDAKNGLRSA-N 1 2 245.273 1.852 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC=CCC1 ZINC001347129056 980985508 /nfs/dbraw/zinc/98/55/08/980985508.db2.gz YWBIPNFIFUVMFB-UHFFFAOYSA-N 1 2 219.288 1.141 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)n[nH]1 ZINC001347451443 981080557 /nfs/dbraw/zinc/08/05/57/981080557.db2.gz UCJMKVVVTAQLRF-GDGBQDQQSA-N 1 2 223.320 1.167 20 0 BDADLO COc1c(C)cc(C[NH+]2CC(O)C2)cc1C ZINC000335720412 981085197 /nfs/dbraw/zinc/08/51/97/981085197.db2.gz OUUUYQTZKNIAHM-UHFFFAOYSA-N 1 2 221.300 1.489 20 0 BDADLO CC[C@@H](C)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001347447743 981081411 /nfs/dbraw/zinc/08/14/11/981081411.db2.gz AGIKZKOGDUREBC-SECBINFHSA-N 1 2 239.319 1.399 20 0 BDADLO C[C@@H](CC(=O)NCCc1[nH+]ccn1C)C1CC1 ZINC001347513686 981104244 /nfs/dbraw/zinc/10/42/44/981104244.db2.gz BTZNJSJCJVBEKN-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO CCN(OC)C(=O)c1cccc2[nH+]ccn21 ZINC001347836329 981189197 /nfs/dbraw/zinc/18/91/97/981189197.db2.gz HGIMMCZPTONVBA-UHFFFAOYSA-N 1 2 219.244 1.358 20 0 BDADLO COC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001193943126 981530114 /nfs/dbraw/zinc/53/01/14/981530114.db2.gz QJEQXVIUPGEXGU-UHFFFAOYSA-N 1 2 209.249 1.149 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC1(O)CCC1)C1CC1 ZINC001349500222 981565046 /nfs/dbraw/zinc/56/50/46/981565046.db2.gz YNKHCVRIEPYLJJ-NSHDSACASA-N 1 2 241.331 1.223 20 0 BDADLO CC[C@@H](SC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001583338319 981812182 /nfs/dbraw/zinc/81/21/82/981812182.db2.gz FZYCYSPRXMRIFO-SNVBAGLBSA-N 1 2 241.360 1.220 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC(F)(F)F ZINC001583334356 981813762 /nfs/dbraw/zinc/81/37/62/981813762.db2.gz DCZMNDRXUMRBMP-UHFFFAOYSA-N 1 2 235.209 1.281 20 0 BDADLO O=C(NCc1c[nH+]cn1CC1CC1)OCCF ZINC001194993247 982022677 /nfs/dbraw/zinc/02/26/77/982022677.db2.gz QQMCNKTZOSEXCN-UHFFFAOYSA-N 1 2 241.266 1.489 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001195156103 982141008 /nfs/dbraw/zinc/14/10/08/982141008.db2.gz FWWPCYNMCLLKSY-QWRGUYRKSA-N 1 2 246.326 1.945 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001195156103 982141019 /nfs/dbraw/zinc/14/10/19/982141019.db2.gz FWWPCYNMCLLKSY-QWRGUYRKSA-N 1 2 246.326 1.945 20 0 BDADLO CC[C@@H](C)OC(=O)NCCOc1cc[nH+]cc1 ZINC001195161247 982145336 /nfs/dbraw/zinc/14/53/36/982145336.db2.gz DKSRAMQZQUYMDP-SNVBAGLBSA-N 1 2 238.287 1.985 20 0 BDADLO C[C@H]([NH2+]Cc1ncnn1C)c1cccnc1 ZINC000083970587 982401676 /nfs/dbraw/zinc/40/16/76/982401676.db2.gz ZFSXIRMRQPJKDP-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO Cc1c[nH+]ccc1NC(=S)NC(C)(C)C ZINC001200892984 983106173 /nfs/dbraw/zinc/10/61/73/983106173.db2.gz NCFBVKIJEOOWDB-UHFFFAOYSA-N 1 2 223.345 1.897 20 0 BDADLO Cc1cncnc1Nc1ccc(N)[nH+]c1 ZINC001201278844 983179366 /nfs/dbraw/zinc/17/93/66/983179366.db2.gz HSFBVSTVLGXEAB-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO CCc1ccc(N2CCC[C@@H](O)CC2)[nH+]c1 ZINC001354205211 983193013 /nfs/dbraw/zinc/19/30/13/983193013.db2.gz XQKODOGMJPHMMN-GFCCVEGCSA-N 1 2 220.316 1.995 20 0 BDADLO C[C@@H]([NH3+])C[N@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959627 983225506 /nfs/dbraw/zinc/22/55/06/983225506.db2.gz WFQRQDOUJWXKST-KCJUWKMLSA-N 1 2 240.278 1.230 20 0 BDADLO C[C@@H]([NH3+])C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959627 983225511 /nfs/dbraw/zinc/22/55/11/983225511.db2.gz WFQRQDOUJWXKST-KCJUWKMLSA-N 1 2 240.278 1.230 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@]1(C)CCCS1 ZINC001545722998 984127514 /nfs/dbraw/zinc/12/75/14/984127514.db2.gz JFFYUGFJYWSEOB-ZYHUDNBSSA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NC[C@@]1(C)CCCS1 ZINC001545722998 984127520 /nfs/dbraw/zinc/12/75/20/984127520.db2.gz JFFYUGFJYWSEOB-ZYHUDNBSSA-N 1 2 242.388 1.483 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172416211 974686479 /nfs/dbraw/zinc/68/64/79/974686479.db2.gz FBCCVOWGXZJCAL-MNOVXSKESA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172416211 974686483 /nfs/dbraw/zinc/68/64/83/974686483.db2.gz FBCCVOWGXZJCAL-MNOVXSKESA-N 1 2 231.311 1.805 20 0 BDADLO COC(=O)C1([NH2+][C@@H](C)CCOC(C)C)CCC1 ZINC001172435007 974750266 /nfs/dbraw/zinc/75/02/66/974750266.db2.gz WXXUKMAFACITOB-NSHDSACASA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)c1c(C)n[nH]c1C[NH+]1CCCC1 ZINC001327538609 972625248 /nfs/dbraw/zinc/62/52/48/972625248.db2.gz UBLTYWQABGZMBB-UHFFFAOYSA-N 1 2 237.303 1.491 20 0 BDADLO CN1Cc2ccc(-c3ccc[nH+]c3N)cc2C1=O ZINC001243476356 970770113 /nfs/dbraw/zinc/77/01/13/970770113.db2.gz QDICSOUWYJRWSC-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO C[C@H](Cc1ccccn1)[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001256426992 970835410 /nfs/dbraw/zinc/83/54/10/970835410.db2.gz TVONUPXEWAEQKM-NEPJUHHUSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@H](Cc1ccccn1)[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001256426992 970835412 /nfs/dbraw/zinc/83/54/12/970835412.db2.gz TVONUPXEWAEQKM-NEPJUHHUSA-N 1 2 247.342 1.175 20 0 BDADLO CCc1cc([N@@H+]2C=C(N)C(C)=CC2=N)ccc1N ZINC001216037462 970911944 /nfs/dbraw/zinc/91/19/44/970911944.db2.gz LTYDOCCWNJSLHV-UHFFFAOYSA-N 1 2 242.326 1.992 20 0 BDADLO CCc1cc([N@H+]2C=C(N)C(C)=CC2=N)ccc1N ZINC001216037462 970911953 /nfs/dbraw/zinc/91/19/53/970911953.db2.gz LTYDOCCWNJSLHV-UHFFFAOYSA-N 1 2 242.326 1.992 20 0 BDADLO C[C@H](Cc1ccncc1)[NH+]1CCC(=O)CC1 ZINC001256737012 970967564 /nfs/dbraw/zinc/96/75/64/970967564.db2.gz VWKIXRUXHAKLOQ-LLVKDONJSA-N 1 2 218.300 1.678 20 0 BDADLO CC(=O)OC1C[NH+]([C@H](C)Cc2ccncc2)C1 ZINC001256740216 970974124 /nfs/dbraw/zinc/97/41/24/970974124.db2.gz FRTFBJZZWPEXBV-SNVBAGLBSA-N 1 2 234.299 1.260 20 0 BDADLO C[C@H]1CC(N2CC[NH2+]CC(F)(F)C2)C[C@H](C)O1 ZINC001257090395 971099607 /nfs/dbraw/zinc/09/96/07/971099607.db2.gz OQHHWPQFKSALCL-UWVGGRQHSA-N 1 2 248.317 1.483 20 0 BDADLO Cc1cc(NCC2OCCO2)nc(C2CC2)[nH+]1 ZINC001158201488 971105332 /nfs/dbraw/zinc/10/53/32/971105332.db2.gz PTIQMPAFNADMCE-UHFFFAOYSA-N 1 2 235.287 1.447 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccns2)c1 ZINC000404286384 971151406 /nfs/dbraw/zinc/15/14/06/971151406.db2.gz RMWOUCSPOAASDG-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO CCC(CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257293821 971180393 /nfs/dbraw/zinc/18/03/93/971180393.db2.gz IXAKULKTGURQMK-NSHDSACASA-N 1 2 215.293 1.097 20 0 BDADLO CCCC(CCC)[N@@H+]1CCOC[C@H]1C(=O)OC ZINC001257339631 971247060 /nfs/dbraw/zinc/24/70/60/971247060.db2.gz AQFGIUWRONKSFA-LBPRGKRZSA-N 1 2 243.347 1.829 20 0 BDADLO CCCC(CCC)[N@H+]1CCOC[C@H]1C(=O)OC ZINC001257339631 971247069 /nfs/dbraw/zinc/24/70/69/971247069.db2.gz AQFGIUWRONKSFA-LBPRGKRZSA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+]CC(=O)OC(C)C)CCO1 ZINC000308764302 971295835 /nfs/dbraw/zinc/29/58/35/971295835.db2.gz QRUVVWAOOZGVFU-QWRGUYRKSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]CC(=O)OC(C)C)CCO1 ZINC000308764297 971297389 /nfs/dbraw/zinc/29/73/89/971297389.db2.gz QRUVVWAOOZGVFU-MNOVXSKESA-N 1 2 229.320 1.485 20 0 BDADLO CSCCC(=O)NCCOc1cc[nH+]cc1 ZINC001144060914 972535153 /nfs/dbraw/zinc/53/51/53/972535153.db2.gz BFPHPHLOBIWQSL-UHFFFAOYSA-N 1 2 240.328 1.330 20 0 BDADLO C[C@]1([NH3+])CC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000405786642 971308964 /nfs/dbraw/zinc/30/89/64/971308964.db2.gz REFMIEDNPORNHB-ZDUSSCGKSA-N 1 2 234.299 1.308 20 0 BDADLO C[C@]1([NH3+])CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000405786642 971308970 /nfs/dbraw/zinc/30/89/70/971308970.db2.gz REFMIEDNPORNHB-ZDUSSCGKSA-N 1 2 234.299 1.308 20 0 BDADLO Cc1cn[nH]c1CNC[C@H](C)[NH+]1CCCCC1 ZINC000810133404 971315303 /nfs/dbraw/zinc/31/53/03/971315303.db2.gz HEVHQECDUAVFHA-LBPRGKRZSA-N 1 2 236.363 1.682 20 0 BDADLO CCc1nnc([C@H]([NH3+])CC(=O)OC(C)(C)C)o1 ZINC001217694652 971331539 /nfs/dbraw/zinc/33/15/39/971331539.db2.gz JDSWUQDUQRQZEU-SSDOTTSWSA-N 1 2 241.291 1.364 20 0 BDADLO CCCCCCc1nnc([C@H]([NH3+])CO)o1 ZINC001217697171 971333889 /nfs/dbraw/zinc/33/38/89/971333889.db2.gz WUKMXQYMHJTULE-MRVPVSSYSA-N 1 2 213.281 1.185 20 0 BDADLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nnc(C2CCC2)o1 ZINC001217729242 971367832 /nfs/dbraw/zinc/36/78/32/971367832.db2.gz FFFNVICTKXZSOJ-MUWHJKNJSA-N 1 2 239.275 1.289 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]c3ccccc23)CC(=O)N1 ZINC001204041615 971373031 /nfs/dbraw/zinc/37/30/31/971373031.db2.gz SSRCJXCMVOMCQR-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CC(=O)N1 ZINC001204041615 971373047 /nfs/dbraw/zinc/37/30/47/971373047.db2.gz SSRCJXCMVOMCQR-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO CCCCC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257508959 971430437 /nfs/dbraw/zinc/43/04/37/971430437.db2.gz MQFHEQIJIDJJEA-AAEUAGOBSA-N 1 2 243.347 1.877 20 0 BDADLO C[N@@H+]1C[C@@H](O)C[C@H]1c1nnc(CC(C)(C)C)o1 ZINC001257871055 971512776 /nfs/dbraw/zinc/51/27/76/971512776.db2.gz JROMFXKJBSZKCS-IUCAKERBSA-N 1 2 239.319 1.396 20 0 BDADLO C[N@H+]1C[C@@H](O)C[C@H]1c1nnc(CC(C)(C)C)o1 ZINC001257871055 971512783 /nfs/dbraw/zinc/51/27/83/971512783.db2.gz JROMFXKJBSZKCS-IUCAKERBSA-N 1 2 239.319 1.396 20 0 BDADLO C[NH+](C)Cc1nnc([C@]2(C)CCCOC2)o1 ZINC001257945266 971545710 /nfs/dbraw/zinc/54/57/10/971545710.db2.gz QARBYURQZNHMGN-LLVKDONJSA-N 1 2 225.292 1.199 20 0 BDADLO C[NH+](C)Cc1nnc(C(C)(C)c2cccnc2)o1 ZINC001257945667 971546471 /nfs/dbraw/zinc/54/64/71/971546471.db2.gz XZLDQNREGMZKSL-UHFFFAOYSA-N 1 2 246.314 1.852 20 0 BDADLO Cc1ccc(-c2nnc([C@@H]3C[N@H+](C)CCO3)o2)o1 ZINC001257993395 971548394 /nfs/dbraw/zinc/54/83/94/971548394.db2.gz HWHHTDMVZRNTES-JTQLQIEISA-N 1 2 249.270 1.641 20 0 BDADLO Cc1ccc(-c2nnc([C@@H]3C[N@@H+](C)CCO3)o2)o1 ZINC001257993395 971548398 /nfs/dbraw/zinc/54/83/98/971548398.db2.gz HWHHTDMVZRNTES-JTQLQIEISA-N 1 2 249.270 1.641 20 0 BDADLO C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C(=O)[O-] ZINC000090274347 949114992 /nfs/dbraw/zinc/11/49/92/949114992.db2.gz NQPIDDDNYVPPGN-UWVGGRQHSA-N 1 2 239.319 1.361 20 0 BDADLO Nc1ccccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218010388 971570333 /nfs/dbraw/zinc/57/03/33/971570333.db2.gz NXSDWYLZIIGMSH-JTQLQIEISA-N 1 2 228.242 1.645 20 0 BDADLO COC1(C[NH2+][C@@H](C)c2noc(C)n2)CCC1 ZINC001330578962 974326423 /nfs/dbraw/zinc/32/64/23/974326423.db2.gz QKELZWQKDIBVGM-QMMMGPOBSA-N 1 2 225.292 1.598 20 0 BDADLO Cc1cc(-c2ccc3c(c2)C(=O)NC3)c[nH+]c1N ZINC001245538021 971851446 /nfs/dbraw/zinc/85/14/46/971851446.db2.gz VJKGHDFSCPYXLI-UHFFFAOYSA-N 1 2 239.278 1.883 20 0 BDADLO c1c[nH]c(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000190587704 972036707 /nfs/dbraw/zinc/03/67/07/972036707.db2.gz PAUUXKITCOBYRM-UHFFFAOYSA-N 1 2 248.355 1.793 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1cccnn1)C2 ZINC001139969986 957170350 /nfs/dbraw/zinc/17/03/50/957170350.db2.gz JRZVSKJSAFGAIH-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1cccnn1)C2 ZINC001139969986 957170353 /nfs/dbraw/zinc/17/03/53/957170353.db2.gz JRZVSKJSAFGAIH-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO COC[C@H]1COCC[N@@H+]1C[C@H](C)C(F)(F)F ZINC001208899570 957230070 /nfs/dbraw/zinc/23/00/70/957230070.db2.gz HAVWSRFHSKYLNC-IUCAKERBSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@H]1COCC[N@H+]1C[C@H](C)C(F)(F)F ZINC001208899570 957230094 /nfs/dbraw/zinc/23/00/94/957230094.db2.gz HAVWSRFHSKYLNC-IUCAKERBSA-N 1 2 241.253 1.532 20 0 BDADLO C[C@H]1C[C@@H]1C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425912 957444133 /nfs/dbraw/zinc/44/41/33/957444133.db2.gz GUQFYAIYXRCADR-NWDGAFQWSA-N 1 2 245.326 1.386 20 0 BDADLO C[C@H]1C[C@@H]1C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001209425912 957444144 /nfs/dbraw/zinc/44/41/44/957444144.db2.gz GUQFYAIYXRCADR-NWDGAFQWSA-N 1 2 245.326 1.386 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001209553943 957502746 /nfs/dbraw/zinc/50/27/46/957502746.db2.gz DZNJETQRJULTFJ-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001209553943 957502755 /nfs/dbraw/zinc/50/27/55/957502755.db2.gz DZNJETQRJULTFJ-BXKDBHETSA-N 1 2 223.320 1.311 20 0 BDADLO CC1(C)[C@@H]2C[C@@H](OCC[NH+]3CCOCC3)C[C@@H]21 ZINC001210208649 957670340 /nfs/dbraw/zinc/67/03/40/957670340.db2.gz VJJFGTPCWAVEMX-XYYAHUGASA-N 1 2 239.359 1.770 20 0 BDADLO Cc1cccn2c(CN3CC4(CCO4)C3)c[nH+]c12 ZINC001136965410 972307156 /nfs/dbraw/zinc/30/71/56/972307156.db2.gz NILYKDKLNVNVFC-UHFFFAOYSA-N 1 2 243.310 1.617 20 0 BDADLO Cn1c[nH+]cc1Nc1nnc(-c2ccco2)o1 ZINC001211245008 958105171 /nfs/dbraw/zinc/10/51/71/958105171.db2.gz HQPRGFZOCLLKOJ-UHFFFAOYSA-N 1 2 231.215 1.807 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc2c1COC2 ZINC001137028114 972332171 /nfs/dbraw/zinc/33/21/71/972332171.db2.gz BEMJVMHGXHSHPP-OKILXGFUSA-N 1 2 231.295 1.690 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc2c1COC2 ZINC001137028114 972332175 /nfs/dbraw/zinc/33/21/75/972332175.db2.gz BEMJVMHGXHSHPP-OKILXGFUSA-N 1 2 231.295 1.690 20 0 BDADLO [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000094657506 958298346 /nfs/dbraw/zinc/29/83/46/958298346.db2.gz KOJMEGNLZUMTOY-CYBMUJFWSA-N 1 2 248.326 1.698 20 0 BDADLO [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000094657506 958298361 /nfs/dbraw/zinc/29/83/61/958298361.db2.gz KOJMEGNLZUMTOY-CYBMUJFWSA-N 1 2 248.326 1.698 20 0 BDADLO CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC001104357647 958358612 /nfs/dbraw/zinc/35/86/12/958358612.db2.gz BULMZEZFKWMXJS-UHFFFAOYSA-N 1 2 248.330 1.646 20 0 BDADLO CC1(C)CC[C@@H](N[C@@H]2C[NH2+]CC2(F)F)C1 ZINC001246466932 972342318 /nfs/dbraw/zinc/34/23/18/972342318.db2.gz XQFNSVXZCMAGKI-RKDXNWHRSA-N 1 2 218.291 1.762 20 0 BDADLO CC1(C)CC[C@@H]([NH2+][C@@H]2CNCC2(F)F)C1 ZINC001246466932 972342322 /nfs/dbraw/zinc/34/23/22/972342322.db2.gz XQFNSVXZCMAGKI-RKDXNWHRSA-N 1 2 218.291 1.762 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CC2CCC1CC2 ZINC001140472200 958545489 /nfs/dbraw/zinc/54/54/89/958545489.db2.gz MRTLQDDGZFZWRK-UHFFFAOYSA-N 1 2 235.287 1.262 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CC2CCC1CC2 ZINC001140472200 958545522 /nfs/dbraw/zinc/54/55/22/958545522.db2.gz MRTLQDDGZFZWRK-UHFFFAOYSA-N 1 2 235.287 1.262 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccnn2C)n1 ZINC000693492192 958571515 /nfs/dbraw/zinc/57/15/15/958571515.db2.gz MMGHGFSJXRCMMM-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001349734759 958791629 /nfs/dbraw/zinc/79/16/29/958791629.db2.gz HZANXRONJBAIND-RYUDHWBXSA-N 1 2 247.342 1.895 20 0 BDADLO CC1=C[C@H](OCCn2cc[nH+]c2)CC(=O)O1 ZINC001222135121 972380999 /nfs/dbraw/zinc/38/09/99/972380999.db2.gz WCYJSCWLMANNSL-JTQLQIEISA-N 1 2 222.244 1.119 20 0 BDADLO COC1CCC(OCCn2cc[nH+]c2)CC1 ZINC001222134631 972383301 /nfs/dbraw/zinc/38/33/01/972383301.db2.gz IJUQGSBLEHQKKB-UHFFFAOYSA-N 1 2 224.304 1.857 20 0 BDADLO CCC[C@@H](CC(=O)OC)OCCn1cc[nH+]c1 ZINC001222134202 972384797 /nfs/dbraw/zinc/38/47/97/972384797.db2.gz BRAADXRCBAUTNX-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO O=C1CCCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222138250 972389284 /nfs/dbraw/zinc/38/92/84/972389284.db2.gz CKKMPBABCJDKGV-NSHDSACASA-N 1 2 208.261 1.411 20 0 BDADLO CC[C@@H](CC(C)C)[N@@H+]1CCOC[C@H]1C(=O)OC ZINC001172408214 974669315 /nfs/dbraw/zinc/66/93/15/974669315.db2.gz RJLQXXFIZOQEHQ-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](CC(C)C)[N@H+]1CCOC[C@H]1C(=O)OC ZINC001172408214 974669323 /nfs/dbraw/zinc/66/93/23/974669323.db2.gz RJLQXXFIZOQEHQ-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO Cn1c[nH+]c2ccc(NCC(C)(C)C(N)=O)cc21 ZINC001167604894 959037978 /nfs/dbraw/zinc/03/79/78/959037978.db2.gz UZYFKOWMBLPCFN-UHFFFAOYSA-N 1 2 246.314 1.497 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@]12C[C@H]1CCC2 ZINC000693628918 959056984 /nfs/dbraw/zinc/05/69/84/959056984.db2.gz IKNNNDVKFIPMGO-RNCFNFMXSA-N 1 2 243.314 1.965 20 0 BDADLO COc1ncncc1NCc1cc[nH+]c(N)c1 ZINC001167616842 959082919 /nfs/dbraw/zinc/08/29/19/959082919.db2.gz RLFJLPXWSDSTKZ-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Nc1cc(CNc2ncc3c(n2)COC3)cc[nH+]1 ZINC001167617545 959092871 /nfs/dbraw/zinc/09/28/71/959092871.db2.gz TWPMOTAUPHGZJH-UHFFFAOYSA-N 1 2 243.270 1.096 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)cn2)sn1 ZINC000404413057 959253198 /nfs/dbraw/zinc/25/31/98/959253198.db2.gz ZCUFZGHRBFIAHC-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CCCn1cc(NC(=O)C[C@H]([NH3+])C(F)F)cn1 ZINC000724747450 959367305 /nfs/dbraw/zinc/36/73/05/959367305.db2.gz WOUQCYZAUQQHCZ-QMMMGPOBSA-N 1 2 246.261 1.214 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@]12C[C@@H]1CCCC2)C(F)F ZINC000724763265 959424120 /nfs/dbraw/zinc/42/41/20/959424120.db2.gz WKNFLAWEGPWDJT-RNSXUZJQSA-N 1 2 232.274 1.418 20 0 BDADLO [NH3+][C@H](CC(=O)NC1CC2(CCC2)C1)C(F)F ZINC000724770544 959431599 /nfs/dbraw/zinc/43/15/99/959431599.db2.gz GLIUJLQEJBTTHQ-MRVPVSSYSA-N 1 2 232.274 1.418 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](OC(C)C)C1 ZINC000724775789 959441930 /nfs/dbraw/zinc/44/19/30/959441930.db2.gz HRFFJOINEBVPNP-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]c(CN2CCOC(C)(C)C2)c[nH+]1 ZINC000724782529 959487186 /nfs/dbraw/zinc/48/71/86/959487186.db2.gz GBLOWHXQHXSPKO-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]cc(CN2CCOC(C)(C)C2)[nH+]1 ZINC000724782529 959487196 /nfs/dbraw/zinc/48/71/96/959487196.db2.gz GBLOWHXQHXSPKO-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CCC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001143959658 972433738 /nfs/dbraw/zinc/43/37/38/972433738.db2.gz VMFVFYPTQFBKFG-UHFFFAOYSA-N 1 2 217.228 1.252 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1CCCOCC1 ZINC000308853655 959521601 /nfs/dbraw/zinc/52/16/01/959521601.db2.gz SCCABEJILPTSQG-SNVBAGLBSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1ccncc1-c1noc([C@@]2([NH3+])CCOC2)n1 ZINC000167875315 959559922 /nfs/dbraw/zinc/55/99/22/959559922.db2.gz VSACNPDBMSHSNM-GFCCVEGCSA-N 1 2 246.270 1.014 20 0 BDADLO c1nn[nH]c1C[NH+]1CC2CCC(CC2)C1 ZINC001203207665 959727271 /nfs/dbraw/zinc/72/72/71/959727271.db2.gz NPIIPZJKXMRBGG-UHFFFAOYSA-N 1 2 206.293 1.427 20 0 BDADLO COC1(C)CCN(c2cc(N)nc[nH+]2)CC1 ZINC000309322463 959846074 /nfs/dbraw/zinc/84/60/74/959846074.db2.gz HEJOTFBDHTXNID-UHFFFAOYSA-N 1 2 222.292 1.064 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1nncn1C ZINC001352849343 959956942 /nfs/dbraw/zinc/95/69/42/959956942.db2.gz GQVOKTIKHIWIRW-MRVPVSSYSA-N 1 2 249.293 1.387 20 0 BDADLO Cc1ccc(F)c(C[NH+]2CC(CO)C2)c1F ZINC000164447112 959983594 /nfs/dbraw/zinc/98/35/94/959983594.db2.gz LUJSGPLCFPOHPB-UHFFFAOYSA-N 1 2 227.254 1.697 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)C(F)F ZINC000694817769 960005460 /nfs/dbraw/zinc/00/54/60/960005460.db2.gz IPMMLZGJEWREGM-SFYZADRCSA-N 1 2 241.303 1.197 20 0 BDADLO Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H]1C[NH2+][C@@H]1C ZINC001218384880 960028523 /nfs/dbraw/zinc/02/85/23/960028523.db2.gz FZTJEBFECOTLSL-LDYMZIIASA-N 1 2 245.282 1.383 20 0 BDADLO CCC[C@H]1CN(c2cc(N)nc[nH+]2)CCO1 ZINC000708886347 960078814 /nfs/dbraw/zinc/07/88/14/960078814.db2.gz VCOFVTNYHCSBTH-VIFPVBQESA-N 1 2 222.292 1.064 20 0 BDADLO OC[C@H]1C[N@H+](Cc2cnco2)CCC1(F)F ZINC001140927209 960087104 /nfs/dbraw/zinc/08/71/04/960087104.db2.gz JHLCNSJWOWDKHB-MRVPVSSYSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2cnco2)CCC1(F)F ZINC001140927209 960087113 /nfs/dbraw/zinc/08/71/13/960087113.db2.gz JHLCNSJWOWDKHB-MRVPVSSYSA-N 1 2 232.230 1.124 20 0 BDADLO O=C(Nc1ccccc1S)C1CC[NH2+]CC1 ZINC001218831358 960172189 /nfs/dbraw/zinc/17/21/89/960172189.db2.gz RLTUDLMUFPMSAX-UHFFFAOYSA-N 1 2 236.340 1.913 20 0 BDADLO c1coc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)n1 ZINC001141012357 960201169 /nfs/dbraw/zinc/20/11/69/960201169.db2.gz IZHRLPOPRZUOKN-SNVBAGLBSA-N 1 2 246.270 1.118 20 0 BDADLO c1coc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)n1 ZINC001141012357 960201174 /nfs/dbraw/zinc/20/11/74/960201174.db2.gz IZHRLPOPRZUOKN-SNVBAGLBSA-N 1 2 246.270 1.118 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001267747445 960284690 /nfs/dbraw/zinc/28/46/90/960284690.db2.gz UQKKUZIWEWJTOR-ZJUUUORDSA-N 1 2 234.290 1.141 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001267747445 960284702 /nfs/dbraw/zinc/28/47/02/960284702.db2.gz UQKKUZIWEWJTOR-ZJUUUORDSA-N 1 2 234.290 1.141 20 0 BDADLO OCc1ccc(C[N@@H+]2CCCC23COC3)o1 ZINC001140682374 960491653 /nfs/dbraw/zinc/49/16/53/960491653.db2.gz ZMNLLXRUNTWNFN-UHFFFAOYSA-N 1 2 223.272 1.137 20 0 BDADLO OCc1ccc(C[N@H+]2CCCC23COC3)o1 ZINC001140682374 960491663 /nfs/dbraw/zinc/49/16/63/960491663.db2.gz ZMNLLXRUNTWNFN-UHFFFAOYSA-N 1 2 223.272 1.137 20 0 BDADLO Cc1cc(C[NH2+]CCn2cc[nH+]c2)oc1C(=O)[O-] ZINC000235824950 960506469 /nfs/dbraw/zinc/50/64/69/960506469.db2.gz MLSSIQQUUCHFAK-UHFFFAOYSA-N 1 2 249.270 1.273 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H](c3ccncc3)C2)c[nH]1 ZINC001140709270 960528254 /nfs/dbraw/zinc/52/82/54/960528254.db2.gz VDOKYZWKZBHJBV-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H](c3ccncc3)C2)c[nH]1 ZINC001140709270 960528267 /nfs/dbraw/zinc/52/82/67/960528267.db2.gz VDOKYZWKZBHJBV-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO CC1(C)CN(C2C[NH+](Cc3cc[nH]c3)C2)CCO1 ZINC001140708966 960529133 /nfs/dbraw/zinc/52/91/33/960529133.db2.gz OBJFLPBDNYFNFD-UHFFFAOYSA-N 1 2 249.358 1.310 20 0 BDADLO CC1(C)C[N@@H+](C2CN(Cc3cc[nH]c3)C2)CCO1 ZINC001140708966 960529163 /nfs/dbraw/zinc/52/91/63/960529163.db2.gz OBJFLPBDNYFNFD-UHFFFAOYSA-N 1 2 249.358 1.310 20 0 BDADLO CC1(C)C[N@H+](C2CN(Cc3cc[nH]c3)C2)CCO1 ZINC001140708966 960529179 /nfs/dbraw/zinc/52/91/79/960529179.db2.gz OBJFLPBDNYFNFD-UHFFFAOYSA-N 1 2 249.358 1.310 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001203060802 960536555 /nfs/dbraw/zinc/53/65/55/960536555.db2.gz TUDYMXWLGKJTOM-PHIMTYICSA-N 1 2 221.304 1.010 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001203060802 960536565 /nfs/dbraw/zinc/53/65/65/960536565.db2.gz TUDYMXWLGKJTOM-PHIMTYICSA-N 1 2 221.304 1.010 20 0 BDADLO Nc1ccc(N[C@H]2NC(=O)c3ccccc32)c[nH+]1 ZINC001171128105 972515997 /nfs/dbraw/zinc/51/59/97/972515997.db2.gz WKGANSMBUAAMSW-LBPRGKRZSA-N 1 2 240.266 1.518 20 0 BDADLO Cc1c[nH]c(C[N@H+](C2CC2)C2COC2)c1C ZINC001140862390 960638776 /nfs/dbraw/zinc/63/87/76/960638776.db2.gz CPYVNTXNQVQRCA-UHFFFAOYSA-N 1 2 220.316 1.995 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C2CC2)C2COC2)c1C ZINC001140862390 960638780 /nfs/dbraw/zinc/63/87/80/960638780.db2.gz CPYVNTXNQVQRCA-UHFFFAOYSA-N 1 2 220.316 1.995 20 0 BDADLO C[N@H+](Cc1ccc(O)c(F)c1F)[C@@H]1CCOC1 ZINC001140894063 960676343 /nfs/dbraw/zinc/67/63/43/960676343.db2.gz PJRMGMBQDHHIGT-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1ccc(O)c(F)c1F)[C@@H]1CCOC1 ZINC001140894063 960676350 /nfs/dbraw/zinc/67/63/50/960676350.db2.gz PJRMGMBQDHHIGT-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1N ZINC001140898450 960681420 /nfs/dbraw/zinc/68/14/20/960681420.db2.gz NXSCMXKGPZHSFD-PHIMTYICSA-N 1 2 234.299 1.251 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1N ZINC001140898450 960681427 /nfs/dbraw/zinc/68/14/27/960681427.db2.gz NXSCMXKGPZHSFD-PHIMTYICSA-N 1 2 234.299 1.251 20 0 BDADLO c1ncc(C[N@@H+]2CCc3cnccc3C2)o1 ZINC001140926975 960693332 /nfs/dbraw/zinc/69/33/32/960693332.db2.gz BJPSGBCUMLBAII-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO c1ncc(C[N@H+]2CCc3cnccc3C2)o1 ZINC001140926975 960693337 /nfs/dbraw/zinc/69/33/37/960693337.db2.gz BJPSGBCUMLBAII-UHFFFAOYSA-N 1 2 215.256 1.628 20 0 BDADLO c1ncc(C[NH+]2CCN(c3ccccn3)CC2)o1 ZINC001140927601 960695848 /nfs/dbraw/zinc/69/58/48/960695848.db2.gz XKKBYTGRWFUZFX-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO c1ncc(C[NH+]2CCN(c3cccnc3)CC2)o1 ZINC001140927611 960696927 /nfs/dbraw/zinc/69/69/27/960696927.db2.gz XPAYWMUDNNVMSX-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CN1CC[N@H+](Cc2cnco2)Cc2cccnc21 ZINC001140930192 960699193 /nfs/dbraw/zinc/69/91/93/960699193.db2.gz KQMGLOCWSIVFQP-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO CN1CC[N@@H+](Cc2cnco2)Cc2cccnc21 ZINC001140930192 960699199 /nfs/dbraw/zinc/69/91/99/960699199.db2.gz KQMGLOCWSIVFQP-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO C[C@@H]1C[C@@H](OCc2c[nH+]cn2C)CCO1 ZINC001222599736 960720906 /nfs/dbraw/zinc/72/09/06/960720906.db2.gz DMZRZWIGUBCIRR-KOLCDFICSA-N 1 2 210.277 1.504 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1nccnc1C ZINC001140939407 960738527 /nfs/dbraw/zinc/73/85/27/960738527.db2.gz KQGCVNIEKZZUDW-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1nccnc1C ZINC001140939407 960738539 /nfs/dbraw/zinc/73/85/39/960738539.db2.gz KQGCVNIEKZZUDW-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csnn2)CCC[C@H]1O ZINC001140992778 960791212 /nfs/dbraw/zinc/79/12/12/960791212.db2.gz WZWKAMLISQDYBI-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csnn2)CCC[C@H]1O ZINC001140992778 960791226 /nfs/dbraw/zinc/79/12/26/960791226.db2.gz WZWKAMLISQDYBI-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO O=C1CC[N@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@@H]12 ZINC001203086213 960808003 /nfs/dbraw/zinc/80/80/03/960808003.db2.gz NVQIELNTRXSVKY-VXGBXAGGSA-N 1 2 233.315 1.743 20 0 BDADLO O=C1CC[N@@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@@H]12 ZINC001203086213 960808004 /nfs/dbraw/zinc/80/80/04/960808004.db2.gz NVQIELNTRXSVKY-VXGBXAGGSA-N 1 2 233.315 1.743 20 0 BDADLO F[C@@H]1COC2(C1)CC[NH+](Cc1ncco1)CC2 ZINC001141010902 960813617 /nfs/dbraw/zinc/81/36/17/960813617.db2.gz KZYBSPZYHUROCY-JTQLQIEISA-N 1 2 240.278 1.768 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn[nH]c2)CCC1=O ZINC001203086441 960817254 /nfs/dbraw/zinc/81/72/54/960817254.db2.gz RYBCGQJKWAYCOO-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn[nH]c2)CCC1=O ZINC001203086441 960817255 /nfs/dbraw/zinc/81/72/55/960817255.db2.gz RYBCGQJKWAYCOO-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO Cc1ccncc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001141037611 960827202 /nfs/dbraw/zinc/82/72/02/960827202.db2.gz YTFDGBLTZQWYAO-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccncc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001141037611 960827211 /nfs/dbraw/zinc/82/72/11/960827211.db2.gz YTFDGBLTZQWYAO-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001141051604 960830854 /nfs/dbraw/zinc/83/08/54/960830854.db2.gz IHBFPEYWDQVSBN-SECBINFHSA-N 1 2 222.288 1.784 20 0 BDADLO Cc1ncoc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001141051604 960830871 /nfs/dbraw/zinc/83/08/71/960830871.db2.gz IHBFPEYWDQVSBN-SECBINFHSA-N 1 2 222.288 1.784 20 0 BDADLO c1cn2ccc(CN3CCOCC3)cc2[nH+]1 ZINC001141042560 960831342 /nfs/dbraw/zinc/83/13/42/960831342.db2.gz WTZZRSGGGKEUNP-UHFFFAOYSA-N 1 2 217.272 1.167 20 0 BDADLO c1cn2ccc(CN3CCC34COC4)cc2[nH+]1 ZINC001141046372 960836296 /nfs/dbraw/zinc/83/62/96/960836296.db2.gz XMGLVNIHJYRREK-UHFFFAOYSA-N 1 2 229.283 1.309 20 0 BDADLO Cc1ncoc1C[N@H+]1CCCCC12COC2 ZINC001141052873 960847796 /nfs/dbraw/zinc/84/77/96/960847796.db2.gz OCGHUZFUIMNCGO-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCCCC12COC2 ZINC001141052873 960847782 /nfs/dbraw/zinc/84/77/82/960847782.db2.gz OCGHUZFUIMNCGO-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cocn3)C2)o1 ZINC001141130502 960880015 /nfs/dbraw/zinc/88/00/15/960880015.db2.gz RADVJYJBANTVEG-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cocn3)C2)o1 ZINC001141130502 960880019 /nfs/dbraw/zinc/88/00/19/960880019.db2.gz RADVJYJBANTVEG-SNVBAGLBSA-N 1 2 248.286 1.746 20 0 BDADLO O=C1CC[C@@]2(CCC[N@H+](Cc3cocn3)C2)O1 ZINC001141132231 960886812 /nfs/dbraw/zinc/88/68/12/960886812.db2.gz FXPXDYPDMXAGCR-GFCCVEGCSA-N 1 2 236.271 1.346 20 0 BDADLO O=C1CC[C@@]2(CCC[N@@H+](Cc3cocn3)C2)O1 ZINC001141132231 960886816 /nfs/dbraw/zinc/88/68/16/960886816.db2.gz FXPXDYPDMXAGCR-GFCCVEGCSA-N 1 2 236.271 1.346 20 0 BDADLO OC1C[NH+](Cc2ccc(-c3ncccn3)cc2)C1 ZINC001141185222 960912385 /nfs/dbraw/zinc/91/23/85/960912385.db2.gz FMLWHLLKZKSCGH-UHFFFAOYSA-N 1 2 241.294 1.320 20 0 BDADLO Nc1cn2ccc(NC3(CO)CCCC3)cc2[nH+]1 ZINC001167804975 961071422 /nfs/dbraw/zinc/07/14/22/961071422.db2.gz PCGSUWFZZNQPKY-UHFFFAOYSA-N 1 2 246.314 1.634 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000399669299 961321679 /nfs/dbraw/zinc/32/16/79/961321679.db2.gz NDXXJJPNRKUETE-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000399669299 961321686 /nfs/dbraw/zinc/32/16/86/961321686.db2.gz NDXXJJPNRKUETE-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO [NH2+]=CNc1cc(C(=O)N2CCCCC2)ccn1 ZINC001167863578 961324603 /nfs/dbraw/zinc/32/46/03/961324603.db2.gz DTEBLTFDJWYTNM-UHFFFAOYSA-N 1 2 232.287 1.727 20 0 BDADLO CC(C)(C)OC(=O)Cc1cccnc1NC=[NH2+] ZINC001167865236 961335808 /nfs/dbraw/zinc/33/58/08/961335808.db2.gz LLLMJNFKTQRFRA-UHFFFAOYSA-N 1 2 235.287 1.985 20 0 BDADLO Cc1nc(N[C@@H](C)CNC(=O)[C@H]2C[C@@H]2C)cc[nH+]1 ZINC001098198508 961370409 /nfs/dbraw/zinc/37/04/09/961370409.db2.gz RZSYFGWYWACCBP-QXEWZRGKSA-N 1 2 248.330 1.358 20 0 BDADLO CC(C)C1(C(=O)NCCc2cn(C)c[nH+]2)CCC1 ZINC001142652346 961550216 /nfs/dbraw/zinc/55/02/16/961550216.db2.gz GNSQKVISVPFOIR-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1nc(NCCC(N)=O)cc(C(C)C)[nH+]1 ZINC000709817041 961631580 /nfs/dbraw/zinc/63/15/80/961631580.db2.gz CDNMKXYJTKZHOP-UHFFFAOYSA-N 1 2 222.292 1.196 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccn3ccnc23)C[C@H]1F ZINC001142944467 961844261 /nfs/dbraw/zinc/84/42/61/961844261.db2.gz LSJKWRDPUBHQTK-VXGBXAGGSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccn3ccnc23)C[C@H]1F ZINC001142944467 961844262 /nfs/dbraw/zinc/84/42/62/961844262.db2.gz LSJKWRDPUBHQTK-VXGBXAGGSA-N 1 2 249.289 1.239 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccn3ccnc23)C[C@@H]1F ZINC001142945265 961850285 /nfs/dbraw/zinc/85/02/85/961850285.db2.gz ZPDHFAOVZRDCJD-RYUDHWBXSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccn3ccnc23)C[C@@H]1F ZINC001142945265 961850289 /nfs/dbraw/zinc/85/02/89/961850289.db2.gz ZPDHFAOVZRDCJD-RYUDHWBXSA-N 1 2 249.289 1.503 20 0 BDADLO Cc1cccc(C)c1CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687598014 961855694 /nfs/dbraw/zinc/85/56/94/961855694.db2.gz VVUBHVZTXGXBNF-CQSZACIVSA-N 1 2 248.370 1.412 20 0 BDADLO Cc1cccc(C)c1CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000687598014 961855697 /nfs/dbraw/zinc/85/56/97/961855697.db2.gz VVUBHVZTXGXBNF-CQSZACIVSA-N 1 2 248.370 1.412 20 0 BDADLO FC1CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143018964 961864669 /nfs/dbraw/zinc/86/46/69/961864669.db2.gz RQKBGOGIDDHLLT-UHFFFAOYSA-N 1 2 205.236 1.488 20 0 BDADLO Cc1ccc(CN2CCC(=O)[C@@H](F)C2)c(N)[nH+]1 ZINC001143208253 961939517 /nfs/dbraw/zinc/93/95/17/961939517.db2.gz DWYFUYUYSDEZMB-JTQLQIEISA-N 1 2 237.278 1.085 20 0 BDADLO CC1(CC(F)F)C[NH+](Cc2cncnc2)C1 ZINC000843425232 962001356 /nfs/dbraw/zinc/00/13/56/962001356.db2.gz YNOWDMIVYJPQHO-UHFFFAOYSA-N 1 2 227.258 1.954 20 0 BDADLO CCOC(=O)[C@@H](Oc1cc[nH+]cc1)C(F)(F)F ZINC001225296555 962062357 /nfs/dbraw/zinc/06/23/57/962062357.db2.gz XVGJCTASHFNPFZ-MRVPVSSYSA-N 1 2 249.188 1.954 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C2CC2)C1 ZINC001151206683 962252204 /nfs/dbraw/zinc/25/22/04/962252204.db2.gz NQIFMMUOOSEUQI-NSHDSACASA-N 1 2 233.315 1.519 20 0 BDADLO CC[N@@H+]1CC[C@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225559463 962263858 /nfs/dbraw/zinc/26/38/58/962263858.db2.gz PZKBBHHUKKIXFX-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2cc(=O)cc[nH]2)C1 ZINC001225604541 962398611 /nfs/dbraw/zinc/39/86/11/962398611.db2.gz GWFTZDHPLNJGHS-UHFFFAOYSA-N 1 2 222.288 1.649 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001152268343 962408846 /nfs/dbraw/zinc/40/88/46/962408846.db2.gz VEPPBBWDTMMKQB-UHFFFAOYSA-N 1 2 235.312 1.273 20 0 BDADLO N[C@H]1C[N@H+](CCC(F)(F)F)CCC1(F)F ZINC001206648187 962608671 /nfs/dbraw/zinc/60/86/71/962608671.db2.gz MJPLYAPBBJGYFU-LURJTMIESA-N 1 2 232.196 1.607 20 0 BDADLO N[C@H]1C[N@@H+](CCC(F)(F)F)CCC1(F)F ZINC001206648187 962608678 /nfs/dbraw/zinc/60/86/78/962608678.db2.gz MJPLYAPBBJGYFU-LURJTMIESA-N 1 2 232.196 1.607 20 0 BDADLO [NH3+][C@@H]1CN(C[C@@H]2CCCCO2)CCC1(F)F ZINC001206648196 962611204 /nfs/dbraw/zinc/61/12/04/962611204.db2.gz MJSLQELUAZZVBA-VHSXEESVSA-N 1 2 234.290 1.224 20 0 BDADLO CCC(=O)NCC1([NH2+]Cc2cc(C)on2)CC1 ZINC001269355867 962611549 /nfs/dbraw/zinc/61/15/49/962611549.db2.gz JWKJXNNCYMPTAO-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO O=C(Nc1ccc[nH]1)c1cccc2[nH+]ccn21 ZINC001154520515 962795546 /nfs/dbraw/zinc/79/55/46/962795546.db2.gz UFOYMGYZJXHVQS-UHFFFAOYSA-N 1 2 226.239 1.915 20 0 BDADLO C[Si](C)(C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154526131 962796209 /nfs/dbraw/zinc/79/62/09/962796209.db2.gz JRHGAHADMVORGZ-UHFFFAOYSA-N 1 2 247.374 1.942 20 0 BDADLO CN(C)c1cc(NCC(C)(F)F)[nH+]cn1 ZINC001154852740 962871020 /nfs/dbraw/zinc/87/10/20/962871020.db2.gz WCUQOLYQQOOFAP-UHFFFAOYSA-N 1 2 216.235 1.610 20 0 BDADLO CN(C)c1cc(NCC(C)(F)F)nc[nH+]1 ZINC001154852740 962871024 /nfs/dbraw/zinc/87/10/24/962871024.db2.gz WCUQOLYQQOOFAP-UHFFFAOYSA-N 1 2 216.235 1.610 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@@H]1CCS(=O)(=O)C1 ZINC001155057005 962952072 /nfs/dbraw/zinc/95/20/72/962952072.db2.gz UURVBAFFPXIQNI-MRVPVSSYSA-N 1 2 244.291 1.128 20 0 BDADLO Cc1nc(N(C)C)nc(NC(C)(C)C2CC2)[nH+]1 ZINC001155068458 962960948 /nfs/dbraw/zinc/96/09/48/962960948.db2.gz FSUFOKJSZGHVAE-UHFFFAOYSA-N 1 2 235.335 1.847 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@@H]1CCC(=O)N1 ZINC001156143527 963269123 /nfs/dbraw/zinc/26/91/23/963269123.db2.gz CRGALQWBCQUVDA-QMMMGPOBSA-N 1 2 223.251 1.220 20 0 BDADLO Cc1cc(NC[C@H]2CCC(=O)N2)nc(C2CC2)[nH+]1 ZINC001156155514 963273939 /nfs/dbraw/zinc/27/39/39/963273939.db2.gz ZOQURHNCWZRTIG-SNVBAGLBSA-N 1 2 246.314 1.353 20 0 BDADLO Cc1nc(N[C@@H]2CCN(C)C2=O)c(C)c(C)[nH+]1 ZINC001156508515 963374789 /nfs/dbraw/zinc/37/47/89/963374789.db2.gz VEXLCJQUWVCBTD-SNVBAGLBSA-N 1 2 234.303 1.044 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccc(C)n2C)c[nH+]1 ZINC001156538581 963380338 /nfs/dbraw/zinc/38/03/38/963380338.db2.gz XMAHNDRSGFPORK-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccc(C)n2C)[nH+]1 ZINC001156538581 963380350 /nfs/dbraw/zinc/38/03/50/963380350.db2.gz XMAHNDRSGFPORK-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO COc1ccc(C)[nH+]c1NC1CC(=O)C1 ZINC001156616653 963414333 /nfs/dbraw/zinc/41/43/33/963414333.db2.gz NUPLHYSENIDSOO-UHFFFAOYSA-N 1 2 206.245 1.542 20 0 BDADLO CCOc1cnc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156755487 963454364 /nfs/dbraw/zinc/45/43/64/963454364.db2.gz CLEOOFUOGWPGFE-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO CCc1nccc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756639 963454924 /nfs/dbraw/zinc/45/49/24/963454924.db2.gz BYCOJKQDEBQPND-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@@H](F)C[C@H]1CF ZINC001204384575 963458770 /nfs/dbraw/zinc/45/87/70/963458770.db2.gz ZKSJFIFBVFLUMP-IUCAKERBSA-N 1 2 215.247 1.302 20 0 BDADLO COC(=O)CCN(C)c1[nH+]ccc(F)c1C ZINC001156816171 963468744 /nfs/dbraw/zinc/46/87/44/963468744.db2.gz LKVFRQOOBCFWAG-UHFFFAOYSA-N 1 2 226.251 1.528 20 0 BDADLO COc1cc(C)c2ncnc(NC=[NH2+])c2c1 ZINC001157080071 963525636 /nfs/dbraw/zinc/52/56/36/963525636.db2.gz NGKGQZMLNZOPJR-UHFFFAOYSA-N 1 2 216.244 1.966 20 0 BDADLO Cc1c[nH+]c(Nc2cnc3ccnn3c2)c(N)c1 ZINC001204781116 963526691 /nfs/dbraw/zinc/52/66/91/963526691.db2.gz PQVRIUIBNXSWOO-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO CCC(CO)(CO)Nc1cc(SC)cc[nH+]1 ZINC001157199973 963553017 /nfs/dbraw/zinc/55/30/17/963553017.db2.gz YFKCWTBQBIBCPM-UHFFFAOYSA-N 1 2 242.344 1.349 20 0 BDADLO CC[C@H](C)Nc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001157237697 963559512 /nfs/dbraw/zinc/55/95/12/963559512.db2.gz KBMBYIXTIZYEGX-QMMMGPOBSA-N 1 2 232.291 1.576 20 0 BDADLO CC[C@@H](C)Nc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001157237696 963560406 /nfs/dbraw/zinc/56/04/06/963560406.db2.gz KBMBYIXTIZYEGX-MRVPVSSYSA-N 1 2 232.291 1.576 20 0 BDADLO CSc1nc(NCC2CC(=O)C2)cc(C)[nH+]1 ZINC001157605725 963675432 /nfs/dbraw/zinc/67/54/32/963675432.db2.gz KQBWNUFICYYMIK-UHFFFAOYSA-N 1 2 237.328 1.898 20 0 BDADLO Nc1cc(N[C@H]2CCCc3cccnc32)[nH+]cn1 ZINC001157847523 963742470 /nfs/dbraw/zinc/74/24/70/963742470.db2.gz PEMZNDCYQCJANZ-JTQLQIEISA-N 1 2 241.298 1.943 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@H]1CC(=O)N(C)C1 ZINC001157904728 963759805 /nfs/dbraw/zinc/75/98/05/963759805.db2.gz IDQIAZVMJVAPDH-SECBINFHSA-N 1 2 237.278 1.419 20 0 BDADLO COc1c[nH+]c(NCCn2cnnc2)c(C)c1 ZINC001158036829 963797460 /nfs/dbraw/zinc/79/74/60/963797460.db2.gz YHDSGBAMZWXJPA-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@@H+]1CCF ZINC001088448404 963798480 /nfs/dbraw/zinc/79/84/80/963798480.db2.gz IBWCWBOTODHJDD-ZJUUUORDSA-N 1 2 240.278 1.442 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)c2ccco2)CC[N@H+]1CCF ZINC001088448404 963798488 /nfs/dbraw/zinc/79/84/88/963798488.db2.gz IBWCWBOTODHJDD-ZJUUUORDSA-N 1 2 240.278 1.442 20 0 BDADLO CC[C@H](C)[C@H](Nc1[nH+]ccc(F)c1C)C(N)=O ZINC001158276978 963841521 /nfs/dbraw/zinc/84/15/21/963841521.db2.gz UVOFHNZEQJRINT-XVKPBYJWSA-N 1 2 239.294 1.841 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2cnsn2)[C@@H]1CCO ZINC000697208158 963851880 /nfs/dbraw/zinc/85/18/80/963851880.db2.gz PAMHSICJELTWDO-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2cnsn2)[C@@H]1CCO ZINC000697208158 963851885 /nfs/dbraw/zinc/85/18/85/963851885.db2.gz PAMHSICJELTWDO-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO CCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158519783 963881833 /nfs/dbraw/zinc/88/18/33/963881833.db2.gz XWURRUJRGHCZJE-SSDOTTSWSA-N 1 2 244.232 1.393 20 0 BDADLO CCC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158519783 963881844 /nfs/dbraw/zinc/88/18/44/963881844.db2.gz XWURRUJRGHCZJE-SSDOTTSWSA-N 1 2 244.232 1.393 20 0 BDADLO C1=C(Nc2ccc(N3CCOCC3)[nH+]c2)COC1 ZINC001203380618 963894785 /nfs/dbraw/zinc/89/47/85/963894785.db2.gz QUOGJWWUGWSOML-UHFFFAOYSA-N 1 2 247.298 1.244 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001158614071 963895756 /nfs/dbraw/zinc/89/57/56/963895756.db2.gz CVSSNQZFBLYVML-AXFHLTTASA-N 1 2 221.304 1.606 20 0 BDADLO C[C@H](CCCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001158931093 963961407 /nfs/dbraw/zinc/96/14/07/963961407.db2.gz VEYJPRFCUHJAHV-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO C[C@H](CCCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001158931093 963961411 /nfs/dbraw/zinc/96/14/11/963961411.db2.gz VEYJPRFCUHJAHV-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO CCC1(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001158949435 963964054 /nfs/dbraw/zinc/96/40/54/963964054.db2.gz ARKHKPQWYZLJLS-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CNC(=O)[C@H](C)Nc1[nH+]c(C)cc(Cl)c1C ZINC001158988668 963965334 /nfs/dbraw/zinc/96/53/34/963965334.db2.gz WIBKXETVVMBPAR-QMMMGPOBSA-N 1 2 241.722 1.898 20 0 BDADLO CC1CCC([NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC001168219066 963992346 /nfs/dbraw/zinc/99/23/46/963992346.db2.gz CXMGFSWJFGKNDU-UHFFFAOYSA-N 1 2 231.361 1.294 20 0 BDADLO CC[N@H+](Cc1cncn1C)Cc1cccnc1 ZINC001204388078 964008467 /nfs/dbraw/zinc/00/84/67/964008467.db2.gz QZJAMDLETHVARA-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cncn1C)Cc1cccnc1 ZINC001204388078 964008475 /nfs/dbraw/zinc/00/84/75/964008475.db2.gz QZJAMDLETHVARA-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO COc1c[nH+]c(NC2CN(C(C)=O)C2)c(C)c1 ZINC001159932095 964228881 /nfs/dbraw/zinc/22/88/81/964228881.db2.gz MRKSZHVDLOJLOE-UHFFFAOYSA-N 1 2 235.287 1.041 20 0 BDADLO Cc1cc(-c2noc(C[NH+]3CCC3)n2)cc(C)n1 ZINC001212095354 964250732 /nfs/dbraw/zinc/25/07/32/964250732.db2.gz DBMDGBYQUCRSDF-UHFFFAOYSA-N 1 2 244.298 1.954 20 0 BDADLO c1ccc(-c2noc(C[NH+]3CCC3)n2)cc1 ZINC001212093209 964255018 /nfs/dbraw/zinc/25/50/18/964255018.db2.gz LRCGXEJCTMGOAP-UHFFFAOYSA-N 1 2 215.256 1.942 20 0 BDADLO Nc1cc(N[C@H]2COCc3ccccc32)[nH+]cn1 ZINC001160119489 964256650 /nfs/dbraw/zinc/25/66/50/964256650.db2.gz FIINWEBQWYDZSI-NSHDSACASA-N 1 2 242.282 1.742 20 0 BDADLO COC(CN(C)c1cc(N)cc(Cl)[nH+]1)OC ZINC000714575357 964259055 /nfs/dbraw/zinc/25/90/55/964259055.db2.gz WVHLCRCHGJCHRO-UHFFFAOYSA-N 1 2 245.710 1.372 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CC[C@@H](F)C1 ZINC000689935110 964366023 /nfs/dbraw/zinc/36/60/23/964366023.db2.gz FXRVHFOVUZYAGD-QZGLAHODSA-N 1 2 201.241 1.150 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CC[C@@H](F)C1 ZINC000689935110 964366030 /nfs/dbraw/zinc/36/60/30/964366030.db2.gz FXRVHFOVUZYAGD-QZGLAHODSA-N 1 2 201.241 1.150 20 0 BDADLO CN(C)c1ccc(NCc2ccc(=O)[nH]c2)[nH+]c1 ZINC001168303277 964396238 /nfs/dbraw/zinc/39/62/38/964396238.db2.gz QZXNRAJXDRMQFS-UHFFFAOYSA-N 1 2 244.298 1.860 20 0 BDADLO CCC1(Nc2ccn3cc(N)[nH+]c3c2)COC1 ZINC001168323688 964449769 /nfs/dbraw/zinc/44/97/69/964449769.db2.gz KDRPSIMNSPPJFW-UHFFFAOYSA-N 1 2 232.287 1.507 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCCCCO)s1 ZINC000697809639 964534900 /nfs/dbraw/zinc/53/49/00/964534900.db2.gz SQMXMIQWBDSTQA-UHFFFAOYSA-N 1 2 243.376 1.831 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCCCCO)s1 ZINC000697809639 964534910 /nfs/dbraw/zinc/53/49/10/964534910.db2.gz SQMXMIQWBDSTQA-UHFFFAOYSA-N 1 2 243.376 1.831 20 0 BDADLO COc1ccnc(NCc2c[nH+]cn2C(C)C)n1 ZINC001161563102 964640245 /nfs/dbraw/zinc/64/02/45/964640245.db2.gz NKAQYKBGODYCPV-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO CCCN(CCNC(C)=O)c1cc[nH+]c(C)n1 ZINC001101074404 964649662 /nfs/dbraw/zinc/64/96/62/964649662.db2.gz FMDUYAQYYSWDPN-UHFFFAOYSA-N 1 2 236.319 1.138 20 0 BDADLO Cc1nc(NCCc2cnoc2)c2c([nH+]1)CCC2 ZINC001161701823 964700237 /nfs/dbraw/zinc/70/02/37/964700237.db2.gz CQBQBLQQLQWHSW-UHFFFAOYSA-N 1 2 244.298 1.916 20 0 BDADLO CCC[C@H](C)Nc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001161719397 964710919 /nfs/dbraw/zinc/71/09/19/964710919.db2.gz KLEDVWRVKPPCNZ-VIFPVBQESA-N 1 2 246.318 1.966 20 0 BDADLO COc1cc[nH+]cc1NCCN1CCCCC1=O ZINC001161937368 964824261 /nfs/dbraw/zinc/82/42/61/964824261.db2.gz OXLVJSJZSIVVJF-UHFFFAOYSA-N 1 2 249.314 1.515 20 0 BDADLO COc1c[nH+]c(NCC2COC2)c2[nH]ccc21 ZINC001161946205 964830627 /nfs/dbraw/zinc/83/06/27/964830627.db2.gz NUPVTZMSQINVRI-UHFFFAOYSA-N 1 2 233.271 1.630 20 0 BDADLO Cc1cc[nH+]cc1NCCC(=O)N1CCOCC1 ZINC001161979558 964842078 /nfs/dbraw/zinc/84/20/78/964842078.db2.gz RMMNSBWNTTYKKB-UHFFFAOYSA-N 1 2 249.314 1.051 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142672987 964884421 /nfs/dbraw/zinc/88/44/21/964884421.db2.gz UQGURQFBBGSBSI-JQWIXIFHSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142672987 964884423 /nfs/dbraw/zinc/88/44/23/964884423.db2.gz UQGURQFBBGSBSI-JQWIXIFHSA-N 1 2 249.289 1.732 20 0 BDADLO Cc1cc(NCc2ncon2)[nH+]c2cc[nH]c21 ZINC001162286703 964911330 /nfs/dbraw/zinc/91/13/30/964911330.db2.gz BEFZODMMJQUDPI-UHFFFAOYSA-N 1 2 229.243 1.866 20 0 BDADLO Cc1cc[nH+]cc1NC[C@H]1CCNC(=O)C1 ZINC001162332546 964935424 /nfs/dbraw/zinc/93/54/24/964935424.db2.gz IQEWPXJOJQFSED-JTQLQIEISA-N 1 2 219.288 1.328 20 0 BDADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1C/C(Cl)=C\Cl ZINC000698159532 965068683 /nfs/dbraw/zinc/06/86/83/965068683.db2.gz MSHVEZLRWMFEIJ-GPEYXKODSA-N 1 2 240.130 1.123 20 0 BDADLO C[C@]1(CO)C[C@H](O)C[N@H+]1C/C(Cl)=C\Cl ZINC000698159532 965068692 /nfs/dbraw/zinc/06/86/92/965068692.db2.gz MSHVEZLRWMFEIJ-GPEYXKODSA-N 1 2 240.130 1.123 20 0 BDADLO Cn1cccc1CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001162704069 965130025 /nfs/dbraw/zinc/13/00/25/965130025.db2.gz HFRFNIIGIOTHQF-UHFFFAOYSA-N 1 2 245.261 1.999 20 0 BDADLO Nc1nc(=O)[nH]cc1Nc1ccn2cc[nH+]c2c1 ZINC001162784682 965169407 /nfs/dbraw/zinc/16/94/07/965169407.db2.gz OLWWETXRHVSXKR-UHFFFAOYSA-N 1 2 242.242 1.156 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CNC(=O)C2(C)C)c1 ZINC001163009057 965227103 /nfs/dbraw/zinc/22/71/03/965227103.db2.gz QXSUHALGRHELPF-JTQLQIEISA-N 1 2 249.314 1.165 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)F ZINC001483623191 965268946 /nfs/dbraw/zinc/26/89/46/965268946.db2.gz HAHPXILMRAIXQG-VHSXEESVSA-N 1 2 248.317 1.673 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)F ZINC001483623191 965268952 /nfs/dbraw/zinc/26/89/52/965268952.db2.gz HAHPXILMRAIXQG-VHSXEESVSA-N 1 2 248.317 1.673 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc(C)n1 ZINC001232000673 965293330 /nfs/dbraw/zinc/29/33/30/965293330.db2.gz ROACEZUPSDZVGH-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc(C)n1 ZINC001232000673 965293342 /nfs/dbraw/zinc/29/33/42/965293342.db2.gz ROACEZUPSDZVGH-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO Nc1ccc(C2(Nc3cc(N)nc[nH+]3)CC2)cc1 ZINC001163200608 965294769 /nfs/dbraw/zinc/29/47/69/965294769.db2.gz HLHIQJVCULODKN-UHFFFAOYSA-N 1 2 241.298 1.742 20 0 BDADLO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccccn1 ZINC001232425527 965354012 /nfs/dbraw/zinc/35/40/12/965354012.db2.gz DDWPHJNNIJSCSX-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccccn1 ZINC001232425527 965354027 /nfs/dbraw/zinc/35/40/27/965354027.db2.gz DDWPHJNNIJSCSX-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO Cc1[nH]c(CN2CCc3ncsc3C2)c[nH+]1 ZINC001232463112 965357760 /nfs/dbraw/zinc/35/77/60/965357760.db2.gz CABBIXMQTOPDIL-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1[nH]cc(CN2CCc3ncsc3C2)[nH+]1 ZINC001232463112 965357769 /nfs/dbraw/zinc/35/77/69/965357769.db2.gz CABBIXMQTOPDIL-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CCOC(=O)Cc1cc[nH+]c(N2CCC2)c1 ZINC001163539496 965437249 /nfs/dbraw/zinc/43/72/49/965437249.db2.gz ZQJWJEPMBUZHPH-UHFFFAOYSA-N 1 2 220.272 1.397 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cn1 ZINC001233008889 965452649 /nfs/dbraw/zinc/45/26/49/965452649.db2.gz VDONQISKYNKVSA-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cn1 ZINC001233008889 965452658 /nfs/dbraw/zinc/45/26/58/965452658.db2.gz VDONQISKYNKVSA-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCn2cnnc2C1 ZINC001163680779 965502052 /nfs/dbraw/zinc/50/20/52/965502052.db2.gz YEOOBVGKDUEQQU-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO COC/C(C)=C/C[N@H+](C)Cc1cc[nH]n1 ZINC000929623470 965523426 /nfs/dbraw/zinc/52/34/26/965523426.db2.gz BZAFGVDIUWBXNT-BJMVGYQFSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)Cc1cc[nH]n1 ZINC000929623470 965523437 /nfs/dbraw/zinc/52/34/37/965523437.db2.gz BZAFGVDIUWBXNT-BJMVGYQFSA-N 1 2 209.293 1.434 20 0 BDADLO CCNC(=O)CN(C)c1ccc(C(C)(C)C)c[nH+]1 ZINC001163915589 965624779 /nfs/dbraw/zinc/62/47/79/965624779.db2.gz GPPPODFEVXUNTM-UHFFFAOYSA-N 1 2 249.358 1.951 20 0 BDADLO COc1ccc(C)[nH+]c1N1Cc2cncnc2C1 ZINC001163983730 965675151 /nfs/dbraw/zinc/67/51/51/965675151.db2.gz DOSWHPWRVUZQIO-UHFFFAOYSA-N 1 2 242.282 1.709 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@](C)(CO)C2)c1 ZINC001164144363 965757769 /nfs/dbraw/zinc/75/77/69/965757769.db2.gz TYSDNCGXPWCRFO-ZDUSSCGKSA-N 1 2 236.315 1.437 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@](C)(CO)C1 ZINC001164147007 965759567 /nfs/dbraw/zinc/75/95/67/965759567.db2.gz KHULKLAPCPAEJX-ZDUSSCGKSA-N 1 2 236.315 1.607 20 0 BDADLO Cc1nc(N2CCCNC(=O)C2)cc(C(C)C)[nH+]1 ZINC001164277531 965821173 /nfs/dbraw/zinc/82/11/73/965821173.db2.gz SFTZGUHVZQNOIE-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO C=Cc1ccccc1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001164304634 965833880 /nfs/dbraw/zinc/83/38/80/965833880.db2.gz BSPQSIAWHMKDPS-AAEUAGOBSA-N 1 2 246.310 1.645 20 0 BDADLO COc1cccnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488891 965895571 /nfs/dbraw/zinc/89/55/71/965895571.db2.gz PNZIMWQNZCMGKS-UHFFFAOYSA-N 1 2 243.257 1.135 20 0 BDADLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(C)c1 ZINC001164492839 965896245 /nfs/dbraw/zinc/89/62/45/965896245.db2.gz HKYVQAGLOOWJDA-UHFFFAOYSA-N 1 2 241.285 1.743 20 0 BDADLO COC(=O)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001164562153 965913197 /nfs/dbraw/zinc/91/31/97/965913197.db2.gz LXUWPBVMWNJERQ-UHFFFAOYSA-N 1 2 245.282 1.516 20 0 BDADLO CN(C)c1ccc(NCC(=O)N2CCCC2)[nH+]c1 ZINC001164583559 965925772 /nfs/dbraw/zinc/92/57/72/965925772.db2.gz VGXTWHUPRHQRTD-UHFFFAOYSA-N 1 2 248.330 1.182 20 0 BDADLO CCc1cc(CN2CCc3c([nH+]cn3C)C2)on1 ZINC001203226887 966003070 /nfs/dbraw/zinc/00/30/70/966003070.db2.gz RKFBMHYDNMHVDB-UHFFFAOYSA-N 1 2 246.314 1.529 20 0 BDADLO Nc1ccc(N2CCCC(=O)CC2)[nH+]c1 ZINC001165464794 966100708 /nfs/dbraw/zinc/10/07/08/966100708.db2.gz QKYPKSNMAKBDBH-UHFFFAOYSA-N 1 2 205.261 1.223 20 0 BDADLO CCCNc1cc(N[C@H]2COC[C@@H]2C)nc[nH+]1 ZINC000699873672 966154557 /nfs/dbraw/zinc/15/45/57/966154557.db2.gz IWLCSZUUUQRTLM-UWVGGRQHSA-N 1 2 236.319 1.745 20 0 BDADLO CCCNc1cc(N[C@H]2COC[C@@H]2C)[nH+]cn1 ZINC000699873672 966154571 /nfs/dbraw/zinc/15/45/71/966154571.db2.gz IWLCSZUUUQRTLM-UWVGGRQHSA-N 1 2 236.319 1.745 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001123587370 966223348 /nfs/dbraw/zinc/22/33/48/966223348.db2.gz AAIKDQQRNDGABO-NSHDSACASA-N 1 2 237.347 1.856 20 0 BDADLO C[N@H+](CCO)Cc1cncc(F)c1Cl ZINC001236255265 966324116 /nfs/dbraw/zinc/32/41/16/966324116.db2.gz BUBZMKIFJYGIHQ-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO Cc1c[nH+]c(N2CC[C@@H](CO)C2)nc1NC1CC1 ZINC001166548036 966292588 /nfs/dbraw/zinc/29/25/88/966292588.db2.gz DUSGQVVLNSAFHF-SNVBAGLBSA-N 1 2 248.330 1.178 20 0 BDADLO CCN(CCC(N)=O)c1cc(SC)cc[nH+]1 ZINC001166589268 966312412 /nfs/dbraw/zinc/31/24/12/966312412.db2.gz FLNRQYMDYGBXRC-UHFFFAOYSA-N 1 2 239.344 1.505 20 0 BDADLO C[N@H+](CCO)Cc1ccc(Cl)nc1F ZINC001236254101 966323113 /nfs/dbraw/zinc/32/31/13/966323113.db2.gz OTOHMPVIRVGQIB-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@@H+](CCO)Cc1ccc(Cl)nc1F ZINC001236254101 966323124 /nfs/dbraw/zinc/32/31/24/966323124.db2.gz OTOHMPVIRVGQIB-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@@H+](CCO)Cc1cncc(F)c1Cl ZINC001236255265 966324128 /nfs/dbraw/zinc/32/41/28/966324128.db2.gz BUBZMKIFJYGIHQ-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO Cc1cc(N[C@@H]2CCN(C)C2=O)ccc1[NH+](C)C ZINC001166692346 966367457 /nfs/dbraw/zinc/36/74/57/966367457.db2.gz FXRRIZVFPJMPSW-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO COc1ccc(C)[nH+]c1N1C[C@@H]2C[C@H]1CO2 ZINC001166754668 966392976 /nfs/dbraw/zinc/39/29/76/966392976.db2.gz SWQSJKPBPYLPCJ-UWVGGRQHSA-N 1 2 220.272 1.376 20 0 BDADLO OC1CN(c2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001166937753 966453936 /nfs/dbraw/zinc/45/39/36/966453936.db2.gz TXWGVHWCVOSHEV-UHFFFAOYSA-N 1 2 226.279 1.930 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC2(CCO2)C1 ZINC001166941758 966461666 /nfs/dbraw/zinc/46/16/66/966461666.db2.gz JAMPQDACCAYUBB-UHFFFAOYSA-N 1 2 208.236 1.508 20 0 BDADLO CCN(c1[nH+]cc(C)cc1OC)C1COC1 ZINC001166942277 966465322 /nfs/dbraw/zinc/46/53/22/966465322.db2.gz LTCLHFFAJSIMJH-UHFFFAOYSA-N 1 2 222.288 1.624 20 0 BDADLO Cc1nc(N(C)C2(C)COC2)c2c([nH+]1)CCC2 ZINC001166985604 966508821 /nfs/dbraw/zinc/50/88/21/966508821.db2.gz CBPJBWMNVOPYFG-UHFFFAOYSA-N 1 2 233.315 1.499 20 0 BDADLO c1cc2nonc2c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001203140061 966523210 /nfs/dbraw/zinc/52/32/10/966523210.db2.gz LBXUCSQDLYUFNM-WDEREUQCSA-N 1 2 231.255 1.196 20 0 BDADLO c1cc2nonc2c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001203140061 966523223 /nfs/dbraw/zinc/52/32/23/966523223.db2.gz LBXUCSQDLYUFNM-WDEREUQCSA-N 1 2 231.255 1.196 20 0 BDADLO CC(C)c1ccc(N2CCN(C)C(=O)[C@H]2C)[nH+]c1 ZINC001167035940 966531196 /nfs/dbraw/zinc/53/11/96/966531196.db2.gz KLFFZPUDXWKCAO-LLVKDONJSA-N 1 2 247.342 1.872 20 0 BDADLO Cc1nc(N2CCN(C)C(=O)[C@H]2C)c(C)c(C)[nH+]1 ZINC001167039164 966531924 /nfs/dbraw/zinc/53/19/24/966531924.db2.gz FETXUAKHJBWIJN-SNVBAGLBSA-N 1 2 248.330 1.069 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@H]2C(C)C)n1 ZINC001203173675 966539721 /nfs/dbraw/zinc/53/97/21/966539721.db2.gz PPMPEPPQLTWOMD-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@H]2C(C)C)n1 ZINC001203173675 966539725 /nfs/dbraw/zinc/53/97/25/966539725.db2.gz PPMPEPPQLTWOMD-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cn[nH]n1 ZINC001203205892 966545971 /nfs/dbraw/zinc/54/59/71/966545971.db2.gz IAMCUPLELOIGSY-SNVBAGLBSA-N 1 2 224.308 1.194 20 0 BDADLO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cn[nH]n1 ZINC001203205892 966545975 /nfs/dbraw/zinc/54/59/75/966545975.db2.gz IAMCUPLELOIGSY-SNVBAGLBSA-N 1 2 224.308 1.194 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC001485574390 966616862 /nfs/dbraw/zinc/61/68/62/966616862.db2.gz RBQCJFBJSRDORA-UWVGGRQHSA-N 1 2 248.317 1.531 20 0 BDADLO CC[C@H](F)C(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC001485574390 966616866 /nfs/dbraw/zinc/61/68/66/966616866.db2.gz RBQCJFBJSRDORA-UWVGGRQHSA-N 1 2 248.317 1.531 20 0 BDADLO COc1ccccc1C[N@@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001203425274 966641805 /nfs/dbraw/zinc/64/18/05/966641805.db2.gz INBSBBIEAYQRSR-AAEUAGOBSA-N 1 2 239.290 1.864 20 0 BDADLO COc1ccccc1C[N@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001203425274 966641810 /nfs/dbraw/zinc/64/18/10/966641810.db2.gz INBSBBIEAYQRSR-AAEUAGOBSA-N 1 2 239.290 1.864 20 0 BDADLO CNc1ccc(Nc2c(F)cncc2F)c[nH+]1 ZINC001203446441 966648570 /nfs/dbraw/zinc/64/85/70/966648570.db2.gz AEDIUYFUTJDJMP-UHFFFAOYSA-N 1 2 236.225 1.962 20 0 BDADLO CNc1ccc(Nc2cnccc2C(N)=O)c[nH+]1 ZINC001203449837 966657729 /nfs/dbraw/zinc/65/77/29/966657729.db2.gz MUPBTGXKWNDFGB-UHFFFAOYSA-N 1 2 243.270 1.361 20 0 BDADLO CCc1[nH]ncc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC001237651518 966682078 /nfs/dbraw/zinc/68/20/78/966682078.db2.gz TXGOMJGPCHMOFQ-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC001237651518 966682082 /nfs/dbraw/zinc/68/20/82/966682082.db2.gz TXGOMJGPCHMOFQ-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCCCC12COC2 ZINC001238171507 966727097 /nfs/dbraw/zinc/72/70/97/966727097.db2.gz YPHWBCAWVYSPJG-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1ncncc1C[N@H+]1CCCCC12COC2 ZINC001238171507 966727103 /nfs/dbraw/zinc/72/71/03/966727103.db2.gz YPHWBCAWVYSPJG-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO COC(=O)C1C[NH+](Cc2ncc(C)cc2C)C1 ZINC001238424457 966752950 /nfs/dbraw/zinc/75/29/50/966752950.db2.gz BBIGCVCITFYNPD-UHFFFAOYSA-N 1 2 234.299 1.303 20 0 BDADLO Cn1cc2c(n1)CC[N@@H+](Cc1cccc(O)c1)C2 ZINC001203862925 966803533 /nfs/dbraw/zinc/80/35/33/966803533.db2.gz ZKWLWDLKCSCJRQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cc2c(n1)CC[N@H+](Cc1cccc(O)c1)C2 ZINC001203862925 966803538 /nfs/dbraw/zinc/80/35/38/966803538.db2.gz ZKWLWDLKCSCJRQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CC(C)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127805779 966804439 /nfs/dbraw/zinc/80/44/39/966804439.db2.gz VQMPOKJRVDKNLV-SSDOTTSWSA-N 1 2 244.232 1.249 20 0 BDADLO CC(C)C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127805779 966804453 /nfs/dbraw/zinc/80/44/53/966804453.db2.gz VQMPOKJRVDKNLV-SSDOTTSWSA-N 1 2 244.232 1.249 20 0 BDADLO Cc1nc(NC[C@@H](C)NC(=O)C2CCC2)cc[nH+]1 ZINC001107604992 966807418 /nfs/dbraw/zinc/80/74/18/966807418.db2.gz QTRLEBDBUHWZDT-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001203983907 966830555 /nfs/dbraw/zinc/83/05/55/966830555.db2.gz RPEGQAXNVBKDNL-LLVKDONJSA-N 1 2 207.277 1.165 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@@]3(CCO3)C2)n1 ZINC001203983907 966830557 /nfs/dbraw/zinc/83/05/57/966830557.db2.gz RPEGQAXNVBKDNL-LLVKDONJSA-N 1 2 207.277 1.165 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)n1 ZINC001204066570 966874066 /nfs/dbraw/zinc/87/40/66/966874066.db2.gz ZIESVXGMEGCNQO-VXGBXAGGSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)n1 ZINC001204066570 966874069 /nfs/dbraw/zinc/87/40/69/966874069.db2.gz ZIESVXGMEGCNQO-VXGBXAGGSA-N 1 2 238.306 1.542 20 0 BDADLO c1ccc(C[N@@H+]2CCOC3(CC3)C2)nc1 ZINC001204064766 966876034 /nfs/dbraw/zinc/87/60/34/966876034.db2.gz CBBWECSZEGWLIV-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO c1ccc(C[N@H+]2CCOC3(CC3)C2)nc1 ZINC001204064766 966876037 /nfs/dbraw/zinc/87/60/37/966876037.db2.gz CBBWECSZEGWLIV-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cccnc3)[C@H]2C1 ZINC001204072545 966881416 /nfs/dbraw/zinc/88/14/16/966881416.db2.gz LRUNKMQEAUJYGB-MELADBBJSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccnc3)[C@H]2C1 ZINC001204072545 966881419 /nfs/dbraw/zinc/88/14/19/966881419.db2.gz LRUNKMQEAUJYGB-MELADBBJSA-N 1 2 248.326 1.053 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CC3)C2)ccn1 ZINC001204082216 966887184 /nfs/dbraw/zinc/88/71/84/966887184.db2.gz QEVZOJWUHLRDLR-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CC3)C2)ccn1 ZINC001204082216 966887187 /nfs/dbraw/zinc/88/71/87/966887187.db2.gz QEVZOJWUHLRDLR-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO OCc1ccc(Nc2cccn3cc[nH+]c23)cn1 ZINC001212370008 966930503 /nfs/dbraw/zinc/93/05/03/966930503.db2.gz JMVUSNJSMXCZGB-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO FCCN1CC[NH+](Cc2ccoc2)CC1 ZINC001204245904 966942093 /nfs/dbraw/zinc/94/20/93/966942093.db2.gz YOSKGQSRGUHMOF-UHFFFAOYSA-N 1 2 212.268 1.367 20 0 BDADLO Cc1c(F)cccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001204509119 967015530 /nfs/dbraw/zinc/01/55/30/967015530.db2.gz WKCYSXROXOSEFR-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO Cc1c(F)cccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001204509119 967015540 /nfs/dbraw/zinc/01/55/40/967015540.db2.gz WKCYSXROXOSEFR-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000692968331 967018028 /nfs/dbraw/zinc/01/80/28/967018028.db2.gz ZKZWZOVGBJCIHS-UHFFFAOYSA-N 1 2 243.310 1.645 20 0 BDADLO Cc1cc(=O)c(N)c(C)n1-c1ccc[nH+]c1N ZINC001212395155 967024965 /nfs/dbraw/zinc/02/49/65/967024965.db2.gz HULFIDQCPRHESJ-UHFFFAOYSA-N 1 2 230.271 1.014 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cc(C)c(C)o2)C1 ZINC001204534617 967034162 /nfs/dbraw/zinc/03/41/62/967034162.db2.gz JVWXZSHXGNDOMS-UHFFFAOYSA-N 1 2 237.299 1.891 20 0 BDADLO Cc1cc(Nc2cnc(C)[nH]c2=O)c[nH+]c1N ZINC001249786624 967064137 /nfs/dbraw/zinc/06/41/37/967064137.db2.gz XVWHFSZYAAXBJR-UHFFFAOYSA-N 1 2 231.259 1.520 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCCC12COC2 ZINC001204588126 967086263 /nfs/dbraw/zinc/08/62/63/967086263.db2.gz BMKGBNFNEGMUAF-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCCC12COC2 ZINC001204588126 967086272 /nfs/dbraw/zinc/08/62/72/967086272.db2.gz BMKGBNFNEGMUAF-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cc(N)cc2cnn(-c3ccc[nH+]c3N)c21 ZINC001212410407 967110456 /nfs/dbraw/zinc/11/04/56/967110456.db2.gz KOIVKFNDIYKWQI-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO C[C@]1([NH3+])CC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC001204782879 967166931 /nfs/dbraw/zinc/16/69/31/967166931.db2.gz LJRCRJFCCVZNJH-ZDUSSCGKSA-N 1 2 234.299 1.308 20 0 BDADLO C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC001204782879 967166938 /nfs/dbraw/zinc/16/69/38/967166938.db2.gz LJRCRJFCCVZNJH-ZDUSSCGKSA-N 1 2 234.299 1.308 20 0 BDADLO COc1ncc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001239849331 967227210 /nfs/dbraw/zinc/22/72/10/967227210.db2.gz BCZVHEZKSRFIIL-UHFFFAOYSA-N 1 2 228.255 1.515 20 0 BDADLO COc1nn(C)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204951565 967250408 /nfs/dbraw/zinc/25/04/08/967250408.db2.gz VPLSPZBUYYVDJL-UHFFFAOYSA-N 1 2 243.270 1.820 20 0 BDADLO COc1cncc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204959191 967258327 /nfs/dbraw/zinc/25/83/27/967258327.db2.gz HRJHYLPEOAPICC-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Cn1nncc1Nc1ccn2cc[nH+]c2c1 ZINC001204966851 967266756 /nfs/dbraw/zinc/26/67/56/967266756.db2.gz ZWBLMRMNNNSTED-UHFFFAOYSA-N 1 2 214.232 1.206 20 0 BDADLO COc1ccncc1C[N@@H+](C)CC(OC)OC ZINC000714688973 967268247 /nfs/dbraw/zinc/26/82/47/967268247.db2.gz KIUBBXPMANDRBV-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO COc1ccncc1C[N@H+](C)CC(OC)OC ZINC000714688973 967268251 /nfs/dbraw/zinc/26/82/51/967268251.db2.gz KIUBBXPMANDRBV-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001205112196 967359280 /nfs/dbraw/zinc/35/92/80/967359280.db2.gz ZBOHEWPGFYTPPE-RYUDHWBXSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001205112196 967359287 /nfs/dbraw/zinc/35/92/87/967359287.db2.gz ZBOHEWPGFYTPPE-RYUDHWBXSA-N 1 2 235.331 1.421 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccc(F)c(C)c2)C1 ZINC001205161159 967405923 /nfs/dbraw/zinc/40/59/23/967405923.db2.gz AYESWXWAOSJGJB-UHFFFAOYSA-N 1 2 237.274 1.739 20 0 BDADLO Cc1ccnc(-c2c[nH+]c(N)cc2C)n1 ZINC000715739357 967434304 /nfs/dbraw/zinc/43/43/04/967434304.db2.gz UICLTPXHVPZMOZ-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO CC(=O)OC1C[NH+](Cc2cccc3n[nH]cc32)C1 ZINC001143096045 967448979 /nfs/dbraw/zinc/44/89/79/967448979.db2.gz ZFXFIOBYTNYZGY-UHFFFAOYSA-N 1 2 245.282 1.310 20 0 BDADLO Fc1ccc(CC[NH+]2CCOCC2)nc1 ZINC001250275359 967599740 /nfs/dbraw/zinc/59/97/40/967599740.db2.gz HHXVIUYROXXLBQ-UHFFFAOYSA-N 1 2 210.252 1.095 20 0 BDADLO Nc1ccc(CC[NH+]2CCOCC2)c(Cl)c1 ZINC001250280514 967609668 /nfs/dbraw/zinc/60/96/68/967609668.db2.gz WOMCPAYSACBUOD-UHFFFAOYSA-N 1 2 240.734 1.797 20 0 BDADLO c1cc2c(c(CC[NH+]3CCOCC3)c1)OCO2 ZINC001250278095 967612251 /nfs/dbraw/zinc/61/22/51/967612251.db2.gz UKKQSMHYEVLHHP-UHFFFAOYSA-N 1 2 235.283 1.290 20 0 BDADLO CCn1cc(C[N@H+]2CCC(=O)[C@H](C)CC2)cn1 ZINC001205525237 967662571 /nfs/dbraw/zinc/66/25/71/967662571.db2.gz VWBBKDOBZDLZJK-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cc(C[N@@H+]2CCC(=O)[C@H](C)CC2)cn1 ZINC001205525237 967662572 /nfs/dbraw/zinc/66/25/72/967662572.db2.gz VWBBKDOBZDLZJK-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCCc1cc(NCC(N)=O)nc(CCC)[nH+]1 ZINC001161840619 967663350 /nfs/dbraw/zinc/66/33/50/967663350.db2.gz OIGZRURLKVRAHO-UHFFFAOYSA-N 1 2 236.319 1.279 20 0 BDADLO COc1cc[nH+]cc1Nc1cnn(C2COC2)c1 ZINC001205542755 967676852 /nfs/dbraw/zinc/67/68/52/967676852.db2.gz AILBSMAQYDHYKG-UHFFFAOYSA-N 1 2 246.270 1.602 20 0 BDADLO CC(C)(CO)n1cc(CCn2cc[nH+]c2)cn1 ZINC001250318314 967684553 /nfs/dbraw/zinc/68/45/53/967684553.db2.gz BFTWIGUOQKGGPU-UHFFFAOYSA-N 1 2 234.303 1.050 20 0 BDADLO c1cn2ccc(CCn3cc[nH+]c3)cc2n1 ZINC001250316636 967684731 /nfs/dbraw/zinc/68/47/31/967684731.db2.gz QIITVEVUQSMREM-UHFFFAOYSA-N 1 2 212.256 1.774 20 0 BDADLO c1cc2ncc(CCn3cc[nH+]c3)cn2n1 ZINC001250316612 967691676 /nfs/dbraw/zinc/69/16/76/967691676.db2.gz ORGICCIRBJPLLO-UHFFFAOYSA-N 1 2 213.244 1.169 20 0 BDADLO O=C1Cc2ccc(CCn3cc[nH+]c3)cc2N1 ZINC001250318995 967692625 /nfs/dbraw/zinc/69/26/25/967692625.db2.gz NPWZBFKLIFJSPS-UHFFFAOYSA-N 1 2 227.267 1.620 20 0 BDADLO COc1c(O)cccc1CCn1cc[nH+]c1 ZINC001250319399 967694140 /nfs/dbraw/zinc/69/41/40/967694140.db2.gz CUUPYCWJOSOANY-UHFFFAOYSA-N 1 2 218.256 1.840 20 0 BDADLO Cc1ccc(CCn2cc[nH+]c2)cc1CO ZINC001250319544 967694663 /nfs/dbraw/zinc/69/46/63/967694663.db2.gz UTHZCEJFXXRQSX-UHFFFAOYSA-N 1 2 216.284 1.927 20 0 BDADLO OCc1ccc(CCn2cc[nH+]c2)c(F)c1F ZINC001250320847 967699297 /nfs/dbraw/zinc/69/92/97/967699297.db2.gz QUNBGPSPLTURCI-UHFFFAOYSA-N 1 2 238.237 1.896 20 0 BDADLO Cc1nnc(Cc2c[nH+]c(C)cc2C)o1 ZINC001250338697 967725205 /nfs/dbraw/zinc/72/52/05/967725205.db2.gz YEUCWWAPMSJIAD-UHFFFAOYSA-N 1 2 203.245 1.981 20 0 BDADLO Cc1noc(Cc2c[nH+]c(C)c(N)c2)n1 ZINC001250357182 967760708 /nfs/dbraw/zinc/76/07/08/967760708.db2.gz WFQRILYAJCJTMS-UHFFFAOYSA-N 1 2 204.233 1.254 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1F ZINC001205770734 967816773 /nfs/dbraw/zinc/81/67/73/967816773.db2.gz OZJVHGWTXZSOLO-JQWIXIFHSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1F ZINC001205770734 967816778 /nfs/dbraw/zinc/81/67/78/967816778.db2.gz OZJVHGWTXZSOLO-JQWIXIFHSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCCC(=O)CC1 ZINC001205778370 967819427 /nfs/dbraw/zinc/81/94/27/967819427.db2.gz CDQJBAQPLXFXLK-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1cccnc1C[N@H+]1CCCC(=O)CC1 ZINC001205778370 967819430 /nfs/dbraw/zinc/81/94/30/967819430.db2.gz CDQJBAQPLXFXLK-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH+]cn1 ZINC000694756453 967938712 /nfs/dbraw/zinc/93/87/12/967938712.db2.gz XGJZGWQSNSOVAN-ILWJIGKKSA-N 1 2 236.319 1.886 20 0 BDADLO O=C1NC[C@H](CNc2[nH+]ccc3ccccc32)O1 ZINC001163016607 967978131 /nfs/dbraw/zinc/97/81/31/967978131.db2.gz SFQWHJBTJRVUNZ-JTQLQIEISA-N 1 2 243.266 1.755 20 0 BDADLO Cc1nc(C[NH+]2CC(C3COC3)C2)co1 ZINC001206040418 968000849 /nfs/dbraw/zinc/00/08/49/968000849.db2.gz DKSDQGRLHRVWMS-UHFFFAOYSA-N 1 2 208.261 1.061 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075632 968043305 /nfs/dbraw/zinc/04/33/05/968043305.db2.gz SIIBFQWFXYVXGJ-ZWNOBZJWSA-N 1 2 248.326 1.472 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075632 968043310 /nfs/dbraw/zinc/04/33/10/968043310.db2.gz SIIBFQWFXYVXGJ-ZWNOBZJWSA-N 1 2 248.326 1.472 20 0 BDADLO CO[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1F ZINC001164130913 968173374 /nfs/dbraw/zinc/17/33/74/968173374.db2.gz TYUFLMZRNAUJDT-WDEREUQCSA-N 1 2 239.294 1.575 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1nc(CO)cs1 ZINC000723193653 968208220 /nfs/dbraw/zinc/20/82/20/968208220.db2.gz YPMGQYSBANTBLQ-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO C[C@H](C(=O)N1CCC2(CCO2)CC1)n1cc[nH+]c1 ZINC001118703644 968218069 /nfs/dbraw/zinc/21/80/69/968218069.db2.gz UCNLYWRQKQGXLS-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1F ZINC001250965319 968226922 /nfs/dbraw/zinc/22/69/22/968226922.db2.gz SNWFSQQHJUHDKW-VQVTYTSYSA-N 1 2 215.190 1.199 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]1F ZINC001250965319 968226930 /nfs/dbraw/zinc/22/69/30/968226930.db2.gz SNWFSQQHJUHDKW-VQVTYTSYSA-N 1 2 215.190 1.199 20 0 BDADLO Nc1ccccc1Nc1[nH+]cccc1CCO ZINC001206331588 968237334 /nfs/dbraw/zinc/23/73/34/968237334.db2.gz QJPPHZGVWCAGBP-UHFFFAOYSA-N 1 2 229.283 1.942 20 0 BDADLO O[C@H](C[N@@H+]1Cc2ccncc2C1)CC1(O)CCC1 ZINC001118880147 968246558 /nfs/dbraw/zinc/24/65/58/968246558.db2.gz RMQNXHTXPMCANG-ZDUSSCGKSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@H](C[N@H+]1Cc2ccncc2C1)CC1(O)CCC1 ZINC001118880147 968246565 /nfs/dbraw/zinc/24/65/65/968246565.db2.gz RMQNXHTXPMCANG-ZDUSSCGKSA-N 1 2 248.326 1.063 20 0 BDADLO Cn1nccc1C[N@@H+]1CCCCC12COC2 ZINC001206348925 968248646 /nfs/dbraw/zinc/24/86/46/968248646.db2.gz LGGHRJFRMJDGKP-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1nccc1C[N@H+]1CCCCC12COC2 ZINC001206348925 968248653 /nfs/dbraw/zinc/24/86/53/968248653.db2.gz LGGHRJFRMJDGKP-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001206348945 968253666 /nfs/dbraw/zinc/25/36/66/968253666.db2.gz NJYOVQHHAHXXFO-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001206348945 968253673 /nfs/dbraw/zinc/25/36/73/968253673.db2.gz NJYOVQHHAHXXFO-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO CN(C[C@@H](O)CO)c1cc2ccccc2c[nH+]1 ZINC001165530564 968290464 /nfs/dbraw/zinc/29/04/64/968290464.db2.gz XAEDVRGMQGUHNX-GFCCVEGCSA-N 1 2 232.283 1.024 20 0 BDADLO COc1ncc(C[N@@H+]2CCC[C@@H]2CF)cn1 ZINC001206432641 968304522 /nfs/dbraw/zinc/30/45/22/968304522.db2.gz PATOTQDDNCLWGX-SNVBAGLBSA-N 1 2 225.267 1.419 20 0 BDADLO COc1ncc(C[N@H+]2CCC[C@@H]2CF)cn1 ZINC001206432641 968304525 /nfs/dbraw/zinc/30/45/25/968304525.db2.gz PATOTQDDNCLWGX-SNVBAGLBSA-N 1 2 225.267 1.419 20 0 BDADLO COCc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)no1 ZINC001119345096 968339805 /nfs/dbraw/zinc/33/98/05/968339805.db2.gz HKNVIOBZJWQFCJ-QMMMGPOBSA-N 1 2 236.275 1.395 20 0 BDADLO Nc1cccc(CN2CCC(F)(F)[C@H]([NH3+])C2)c1 ZINC001206683958 968433245 /nfs/dbraw/zinc/43/32/45/968433245.db2.gz OJAMTHOYSQMARQ-LLVKDONJSA-N 1 2 241.285 1.437 20 0 BDADLO CCOC[C@H](O)CNc1ccc(C)[nH+]c1C ZINC001252014674 968438567 /nfs/dbraw/zinc/43/85/67/968438567.db2.gz HDRXRZBIUVIBFE-LLVKDONJSA-N 1 2 224.304 1.508 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001206770626 968466367 /nfs/dbraw/zinc/46/63/67/968466367.db2.gz SXZAFSSTNDFLEY-STQMWFEESA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001206770626 968466369 /nfs/dbraw/zinc/46/63/69/968466369.db2.gz SXZAFSSTNDFLEY-STQMWFEESA-N 1 2 233.311 1.977 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccncc2F)CC[C@@H]1F ZINC001206783985 968469963 /nfs/dbraw/zinc/46/99/63/968469963.db2.gz VSMXQWQYEFEFOK-GXSJLCMTSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccncc2F)CC[C@@H]1F ZINC001206783985 968469967 /nfs/dbraw/zinc/46/99/67/968469967.db2.gz VSMXQWQYEFEFOK-GXSJLCMTSA-N 1 2 228.242 1.125 20 0 BDADLO C=CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000820437425 968470384 /nfs/dbraw/zinc/47/03/84/968470384.db2.gz GUXSYJUUMAQAMV-UHFFFAOYSA-N 1 2 229.283 1.487 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c(F)n1 ZINC001230707222 968472455 /nfs/dbraw/zinc/47/24/55/968472455.db2.gz DDLIAEZAQXNIKI-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c(F)n1 ZINC001230707222 968472460 /nfs/dbraw/zinc/47/24/60/968472460.db2.gz DDLIAEZAQXNIKI-SNVBAGLBSA-N 1 2 240.278 1.239 20 0 BDADLO Cc1ccnc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001206852989 968500442 /nfs/dbraw/zinc/50/04/42/968500442.db2.gz LMYCAIXJXVKPFF-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1ccnc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001206852989 968500445 /nfs/dbraw/zinc/50/04/45/968500445.db2.gz LMYCAIXJXVKPFF-LBPRGKRZSA-N 1 2 249.333 1.618 20 0 BDADLO C[C@]1(CO)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206856388 968502470 /nfs/dbraw/zinc/50/24/70/968502470.db2.gz UNKFOBZNAYLECB-LBPRGKRZSA-N 1 2 242.269 1.564 20 0 BDADLO C[C@]1(CO)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206856388 968502476 /nfs/dbraw/zinc/50/24/76/968502476.db2.gz UNKFOBZNAYLECB-LBPRGKRZSA-N 1 2 242.269 1.564 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164121910 968505901 /nfs/dbraw/zinc/50/59/01/968505901.db2.gz FWTFRURIJFNEFJ-UWVGGRQHSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ccc(-c2noc([C@@]3([NH3+])CCOC3)n2)cc1 ZINC000085850296 968507074 /nfs/dbraw/zinc/50/70/74/968507074.db2.gz DCLYTQFXJKHVAG-CYBMUJFWSA-N 1 2 245.282 1.619 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822522250 968520406 /nfs/dbraw/zinc/52/04/06/968520406.db2.gz HCIKPPGXNCXGTQ-LOMYTOQZSA-N 1 2 249.314 1.053 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2scnc2C)C1 ZINC001206989863 968528955 /nfs/dbraw/zinc/52/89/55/968528955.db2.gz NKZYHDYUFLPAQZ-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncccn2)CC1 ZINC001207018811 968558979 /nfs/dbraw/zinc/55/89/79/968558979.db2.gz IPSLQPWGONVMKM-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncccn2)CC1 ZINC001207018811 968558983 /nfs/dbraw/zinc/55/89/83/968558983.db2.gz IPSLQPWGONVMKM-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc2ccccn21 ZINC001207048362 968577705 /nfs/dbraw/zinc/57/77/05/968577705.db2.gz NJHYHRQAPFUPBA-UHFFFAOYSA-N 1 2 233.315 1.803 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc2ccccn21 ZINC001207048362 968577714 /nfs/dbraw/zinc/57/77/14/968577714.db2.gz NJHYHRQAPFUPBA-UHFFFAOYSA-N 1 2 233.315 1.803 20 0 BDADLO CCCC[C@@H](O)C[N@@H+]1CCn2nccc2C1 ZINC001252096041 968577839 /nfs/dbraw/zinc/57/78/39/968577839.db2.gz HRNFKCBRFKGPFV-GFCCVEGCSA-N 1 2 223.320 1.250 20 0 BDADLO COc1cc(C)c[nH+]c1NCC1COC1 ZINC001154634345 968612643 /nfs/dbraw/zinc/61/26/43/968612643.db2.gz PBYIOAKTJZKANP-UHFFFAOYSA-N 1 2 208.261 1.457 20 0 BDADLO CCc1nccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001207081942 968613882 /nfs/dbraw/zinc/61/38/82/968613882.db2.gz AHNDUJSLZROAGN-LLVKDONJSA-N 1 2 247.342 1.840 20 0 BDADLO CCc1nccc(C[N@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001207081942 968613889 /nfs/dbraw/zinc/61/38/89/968613889.db2.gz AHNDUJSLZROAGN-LLVKDONJSA-N 1 2 247.342 1.840 20 0 BDADLO C[N@H+](Cc1ncc(F)cc1F)[C@@H]1CCCOC1 ZINC001207101540 968629523 /nfs/dbraw/zinc/62/95/23/968629523.db2.gz LBZGCVLOSFSIPR-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO C[N@@H+](Cc1ncc(F)cc1F)[C@@H]1CCCOC1 ZINC001207101540 968629528 /nfs/dbraw/zinc/62/95/28/968629528.db2.gz LBZGCVLOSFSIPR-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO C[N@H+](Cc1ncc(F)cc1F)[C@@H]1CCOC1 ZINC001207097490 968630969 /nfs/dbraw/zinc/63/09/69/968630969.db2.gz RGMDFUHOXLAKMH-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO C[N@@H+](Cc1ncc(F)cc1F)[C@@H]1CCOC1 ZINC001207097490 968630974 /nfs/dbraw/zinc/63/09/74/968630974.db2.gz RGMDFUHOXLAKMH-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001207153939 968659486 /nfs/dbraw/zinc/65/94/86/968659486.db2.gz ITXVXEUUKAOXNB-QWHCGFSZSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001207153939 968659492 /nfs/dbraw/zinc/65/94/92/968659492.db2.gz ITXVXEUUKAOXNB-QWHCGFSZSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1nccc(C[NH+]2CC(C(F)F)C2)n1 ZINC001207169332 968680566 /nfs/dbraw/zinc/68/05/66/968680566.db2.gz IAPRKPLWPBCTPB-UHFFFAOYSA-N 1 2 213.231 1.482 20 0 BDADLO CC(C)(CN1C[C@@H](F)[C@H](F)C1)[NH+]1CCOCC1 ZINC001207297032 968721181 /nfs/dbraw/zinc/72/11/81/968721181.db2.gz LEOZQFNEFVZXHR-GHMZBOCLSA-N 1 2 248.317 1.089 20 0 BDADLO COc1cccc(CC[N@@H+]2CCC23COC3)c1 ZINC001207430876 968766043 /nfs/dbraw/zinc/76/60/43/968766043.db2.gz KKVLINHUHPYUOV-UHFFFAOYSA-N 1 2 233.311 1.712 20 0 BDADLO COc1cccc(CC[N@H+]2CCC23COC3)c1 ZINC001207430876 968766048 /nfs/dbraw/zinc/76/60/48/968766048.db2.gz KKVLINHUHPYUOV-UHFFFAOYSA-N 1 2 233.311 1.712 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CCCOC1 ZINC001207462059 968782876 /nfs/dbraw/zinc/78/28/76/968782876.db2.gz SLSVLGWKJAIOLD-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@H+]1C[C@H]1CCCOC1 ZINC001207462059 968782878 /nfs/dbraw/zinc/78/28/78/968782878.db2.gz SLSVLGWKJAIOLD-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@H]1CC1(C)C ZINC001085551938 968791682 /nfs/dbraw/zinc/79/16/82/968791682.db2.gz PCQBCRQXCQGLIV-GHMZBOCLSA-N 1 2 242.338 1.535 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@H]1CC1(C)C ZINC001085551938 968791689 /nfs/dbraw/zinc/79/16/89/968791689.db2.gz PCQBCRQXCQGLIV-GHMZBOCLSA-N 1 2 242.338 1.535 20 0 BDADLO O[C@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628011 968840864 /nfs/dbraw/zinc/84/08/64/968840864.db2.gz FGHITTMHEDPYOL-QCNOEVLYSA-N 1 2 243.297 1.901 20 0 BDADLO O[C@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1(F)F ZINC001207628011 968840868 /nfs/dbraw/zinc/84/08/68/968840868.db2.gz FGHITTMHEDPYOL-QCNOEVLYSA-N 1 2 243.297 1.901 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(CO)cs2)CCO1 ZINC001207623609 968841198 /nfs/dbraw/zinc/84/11/98/968841198.db2.gz WLKPDIBCVUYZLO-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(CO)cs2)CCO1 ZINC001207623609 968841204 /nfs/dbraw/zinc/84/12/04/968841204.db2.gz WLKPDIBCVUYZLO-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@H]1CC12CC2 ZINC001085842325 968859410 /nfs/dbraw/zinc/85/94/10/968859410.db2.gz QDMWPZAWFVAKAP-WDEREUQCSA-N 1 2 240.322 1.289 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@H]1CC12CC2 ZINC001085842325 968859415 /nfs/dbraw/zinc/85/94/15/968859415.db2.gz QDMWPZAWFVAKAP-WDEREUQCSA-N 1 2 240.322 1.289 20 0 BDADLO c1ncc2c(n1)C[N@H+](CC1CCSCC1)C2 ZINC001207697037 968861737 /nfs/dbraw/zinc/86/17/37/968861737.db2.gz VDUHDJPWAYTZPG-UHFFFAOYSA-N 1 2 235.356 1.935 20 0 BDADLO c1ncc2c(n1)C[N@@H+](CC1CCSCC1)C2 ZINC001207697037 968861742 /nfs/dbraw/zinc/86/17/42/968861742.db2.gz VDUHDJPWAYTZPG-UHFFFAOYSA-N 1 2 235.356 1.935 20 0 BDADLO F[C@@H]1C[N@H+](C[C@H]2CCCO2)CCC1(F)F ZINC001207846650 968898577 /nfs/dbraw/zinc/89/85/77/968898577.db2.gz KWNJJLRDYDVIKS-RKDXNWHRSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCC1(F)F ZINC001207846650 968898583 /nfs/dbraw/zinc/89/85/83/968898583.db2.gz KWNJJLRDYDVIKS-RKDXNWHRSA-N 1 2 223.238 1.845 20 0 BDADLO CC1(C)OC[C@H](C[NH+]2CC3(C2)CCCCO3)O1 ZINC001207919659 968926965 /nfs/dbraw/zinc/92/69/65/968926965.db2.gz DYQVKCWUQIRGIY-NSHDSACASA-N 1 2 241.331 1.393 20 0 BDADLO FC1(F)COC2(C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001207960856 968961348 /nfs/dbraw/zinc/96/13/48/968961348.db2.gz VVCZNQFZQXYKBZ-JTQLQIEISA-N 1 2 247.285 1.666 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C2CC2)nc(N)[nH+]1 ZINC000706685847 968997760 /nfs/dbraw/zinc/99/77/60/968997760.db2.gz VEDSMQOMMLKUTP-SECBINFHSA-N 1 2 219.292 1.141 20 0 BDADLO COC[C@@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001252820141 969020046 /nfs/dbraw/zinc/02/00/46/969020046.db2.gz KLGGLKUEFZZRHU-LBPRGKRZSA-N 1 2 232.283 1.654 20 0 BDADLO CCOc1ncc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001241554085 969038876 /nfs/dbraw/zinc/03/88/76/969038876.db2.gz MMTYSPNIVCRMEZ-UHFFFAOYSA-N 1 2 242.282 1.905 20 0 BDADLO Cc1ccc(NCC2(O)CCOCC2)c(C)[nH+]1 ZINC001252950798 969044850 /nfs/dbraw/zinc/04/48/50/969044850.db2.gz FLJFDZRBNNSLQO-UHFFFAOYSA-N 1 2 236.315 1.652 20 0 BDADLO CCc1cc(N2CCCC[C@@H]2CO)nc(C)[nH+]1 ZINC000088760724 969132203 /nfs/dbraw/zinc/13/22/03/969132203.db2.gz OBGYLROQYMAVQM-GFCCVEGCSA-N 1 2 235.331 1.699 20 0 BDADLO CC(=O)N1CC=C(/C(C)=C/C=C/[NH3+])CC1 ZINC001241967960 969152604 /nfs/dbraw/zinc/15/26/04/969152604.db2.gz AELPKHPZXYHCMO-DROBUMMNSA-N 1 2 206.289 1.584 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001253506672 969194415 /nfs/dbraw/zinc/19/44/15/969194415.db2.gz ASVCNHMFHIEPMU-MNOVXSKESA-N 1 2 223.320 1.995 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001208709597 969201127 /nfs/dbraw/zinc/20/11/27/969201127.db2.gz BHKKBWCQNOWKAX-YUMQZZPRSA-N 1 2 239.237 1.475 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001208709597 969201130 /nfs/dbraw/zinc/20/11/30/969201130.db2.gz BHKKBWCQNOWKAX-YUMQZZPRSA-N 1 2 239.237 1.475 20 0 BDADLO COCCC[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001209051197 969338182 /nfs/dbraw/zinc/33/81/82/969338182.db2.gz AGCSMWMKHSYIQQ-UHFFFAOYSA-N 1 2 249.310 1.825 20 0 BDADLO COCCC[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001209051197 969338186 /nfs/dbraw/zinc/33/81/86/969338186.db2.gz AGCSMWMKHSYIQQ-UHFFFAOYSA-N 1 2 249.310 1.825 20 0 BDADLO C[C@H](c1nc(C2CCOCC2)no1)n1cc[nH+]c1 ZINC000349843613 969339690 /nfs/dbraw/zinc/33/96/90/969339690.db2.gz LCSYFLOGXRUDKY-SECBINFHSA-N 1 2 248.286 1.769 20 0 BDADLO CCOC(C)(C)C[NH+]1CC(OC(C)=O)C1 ZINC001209073244 969347425 /nfs/dbraw/zinc/34/74/25/969347425.db2.gz QUSWCJXTXTVVQG-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO CCN1CC[N@H+](CCCc2cccnc2)CC1=O ZINC001209182113 969376668 /nfs/dbraw/zinc/37/66/68/969376668.db2.gz VKJPJKRNBZVEQB-UHFFFAOYSA-N 1 2 247.342 1.178 20 0 BDADLO CCN1CC[N@@H+](CCCc2cccnc2)CC1=O ZINC001209182113 969376669 /nfs/dbraw/zinc/37/66/69/969376669.db2.gz VKJPJKRNBZVEQB-UHFFFAOYSA-N 1 2 247.342 1.178 20 0 BDADLO c1ccc(OCC[NH+]2CC3(CCO3)C2)cc1 ZINC001209298587 969429953 /nfs/dbraw/zinc/42/99/53/969429953.db2.gz CCYSKSFFWFLMAE-UHFFFAOYSA-N 1 2 219.284 1.540 20 0 BDADLO COC(=[NH2+])c1cccc(N[C@H]2COC(=O)C2)c1 ZINC001169128235 969432716 /nfs/dbraw/zinc/43/27/16/969432716.db2.gz SOIYCWQGXCOSDO-SNVBAGLBSA-N 1 2 234.255 1.386 20 0 BDADLO O=C1C[C@@H](Nc2ccc(C3CC3)c[nH+]2)CO1 ZINC001169126816 969434276 /nfs/dbraw/zinc/43/42/76/969434276.db2.gz DBLMWUOJRDOTKK-SNVBAGLBSA-N 1 2 218.256 1.686 20 0 BDADLO C=Cc1cccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001169129943 969437608 /nfs/dbraw/zinc/43/76/08/969437608.db2.gz GLGWNRCBVNRILP-OLZOCXBDSA-N 1 2 246.310 1.645 20 0 BDADLO O=C1C[C@@H](Nc2cc3cc[nH]c3c[nH+]2)CO1 ZINC001169112340 969454838 /nfs/dbraw/zinc/45/48/38/969454838.db2.gz KOYZLDARRCVADN-MRVPVSSYSA-N 1 2 217.228 1.290 20 0 BDADLO C[C@H](c1nnc(C2CC2)o1)n1cc[nH+]c1 ZINC001254063881 969468983 /nfs/dbraw/zinc/46/89/83/969468983.db2.gz FZCGSALIYXBKQP-SSDOTTSWSA-N 1 2 204.233 1.753 20 0 BDADLO COC(C)(C)CC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209404037 969471714 /nfs/dbraw/zinc/47/17/14/969471714.db2.gz RKDOTHLNDUETRF-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO COC(C)(C)CC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209404037 969471719 /nfs/dbraw/zinc/47/17/19/969471719.db2.gz RKDOTHLNDUETRF-JTQLQIEISA-N 1 2 231.311 1.805 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209413705 969484256 /nfs/dbraw/zinc/48/42/56/969484256.db2.gz DWJUVXFBZSTWJN-BBBLOLIVSA-N 1 2 219.275 1.592 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209413705 969484268 /nfs/dbraw/zinc/48/42/68/969484268.db2.gz DWJUVXFBZSTWJN-BBBLOLIVSA-N 1 2 219.275 1.592 20 0 BDADLO COc1cc(CCNc2cc[nH+]cc2F)ccn1 ZINC001169223625 969492732 /nfs/dbraw/zinc/49/27/32/969492732.db2.gz YKFYTONGWHYRLA-UHFFFAOYSA-N 1 2 247.273 1.701 20 0 BDADLO Cc1ccc2[nH]cc(C[N@@H+]3CCNC(=O)C3)c2c1 ZINC001209490365 969526591 /nfs/dbraw/zinc/52/65/91/969526591.db2.gz YEEHKIWUHBSNCD-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO Cc1ccc2[nH]cc(C[N@H+]3CCNC(=O)C3)c2c1 ZINC001209490365 969526599 /nfs/dbraw/zinc/52/65/99/969526599.db2.gz YEEHKIWUHBSNCD-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2ccon2)CC12CC2 ZINC001209566190 969547625 /nfs/dbraw/zinc/54/76/25/969547625.db2.gz HXFBJCJJJFPNHC-SNVBAGLBSA-N 1 2 236.271 1.060 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2ccon2)CC12CC2 ZINC001209566190 969547629 /nfs/dbraw/zinc/54/76/29/969547629.db2.gz HXFBJCJJJFPNHC-SNVBAGLBSA-N 1 2 236.271 1.060 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccno2)[nH]1 ZINC001209575016 969559038 /nfs/dbraw/zinc/55/90/38/969559038.db2.gz FDKOFHSAKBCMIY-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H](C)CC ZINC001254365724 969578244 /nfs/dbraw/zinc/57/82/44/969578244.db2.gz KJBRVDHVAJGKJZ-TUAOUCFPSA-N 1 2 243.347 1.733 20 0 BDADLO c1cncc(OC2C[NH+]([C@@H]3CCCOC3)C2)c1 ZINC001254384960 969602305 /nfs/dbraw/zinc/60/23/05/969602305.db2.gz WCIMBLONJFLOCH-LLVKDONJSA-N 1 2 234.299 1.324 20 0 BDADLO [NH3+]CCONc1cc(-c2ccccc2)ncn1 ZINC001156293851 969605668 /nfs/dbraw/zinc/60/56/68/969605668.db2.gz AIPNRPSJDYDUPM-UHFFFAOYSA-N 1 2 230.271 1.446 20 0 BDADLO OCC[N@H+](Cc1cccs1)Cc1cnccn1 ZINC001209780912 969612010 /nfs/dbraw/zinc/61/20/10/969612010.db2.gz KWPQGNMFGKDXDI-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO OCC[N@@H+](Cc1cccs1)Cc1cnccn1 ZINC001209780912 969612018 /nfs/dbraw/zinc/61/20/18/969612018.db2.gz KWPQGNMFGKDXDI-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+]C1CCC2(CC2)CC1 ZINC001254432366 969622785 /nfs/dbraw/zinc/62/27/85/969622785.db2.gz GTPQKJNTNAHRJC-NSHDSACASA-N 1 2 241.331 1.223 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)c1cnccn1 ZINC001169529953 969711422 /nfs/dbraw/zinc/71/14/22/969711422.db2.gz UGFVZMWSZCOJFW-QMMMGPOBSA-N 1 2 218.235 1.606 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)c1cnccn1 ZINC001169529952 969713277 /nfs/dbraw/zinc/71/32/77/969713277.db2.gz UGFVZMWSZCOJFW-MRVPVSSYSA-N 1 2 218.235 1.606 20 0 BDADLO Cc1c[nH+]cc(NC[C@H]2COCCN2C)c1C ZINC001169657001 969802961 /nfs/dbraw/zinc/80/29/61/969802961.db2.gz QMRMAWULVSYLRR-LBPRGKRZSA-N 1 2 235.331 1.441 20 0 BDADLO C[C@@H](OCC[NH+]1CCOCC1)c1ccncc1 ZINC001210192098 969825008 /nfs/dbraw/zinc/82/50/08/969825008.db2.gz LWJBNIUJENLGPA-GFCCVEGCSA-N 1 2 236.315 1.491 20 0 BDADLO CO[C@@H](C)CNc1ccn2cc[nH+]c2c1 ZINC001169775521 969840634 /nfs/dbraw/zinc/84/06/34/969840634.db2.gz KIJIUCRYIUIRFU-VIFPVBQESA-N 1 2 205.261 1.781 20 0 BDADLO Cc1[nH+]cc(Nc2c(F)cncc2F)cc1N ZINC001210285696 969852086 /nfs/dbraw/zinc/85/20/86/969852086.db2.gz PHFMNMYFJCVINX-UHFFFAOYSA-N 1 2 236.225 1.811 20 0 BDADLO COC(C)(C)CNc1[nH+]ccc(C)c1C(N)=O ZINC001156439037 969894925 /nfs/dbraw/zinc/89/49/25/969894925.db2.gz BPKAHOHMZSSBGZ-UHFFFAOYSA-N 1 2 237.303 1.326 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C1CCSCC1 ZINC001255087671 969920916 /nfs/dbraw/zinc/92/09/16/969920916.db2.gz GBUDURSJTBIARL-VIFPVBQESA-N 1 2 237.315 1.584 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C1CCSCC1 ZINC001255087671 969920924 /nfs/dbraw/zinc/92/09/24/969920924.db2.gz GBUDURSJTBIARL-VIFPVBQESA-N 1 2 237.315 1.584 20 0 BDADLO CSc1cc(NCc2cc[nH+]c(N)c2)ncn1 ZINC001156755729 969994283 /nfs/dbraw/zinc/99/42/83/969994283.db2.gz KBRMNZXGTJBTPV-UHFFFAOYSA-N 1 2 247.327 1.788 20 0 BDADLO C[N@@H+]1C[C@@H](O)C[C@H]1c1nnc(C2CCC2)o1 ZINC001255208533 970005287 /nfs/dbraw/zinc/00/52/87/970005287.db2.gz AEGCIQWYJOPSLM-IUCAKERBSA-N 1 2 223.276 1.075 20 0 BDADLO C[N@H+]1C[C@@H](O)C[C@H]1c1nnc(C2CCC2)o1 ZINC001255208533 970005293 /nfs/dbraw/zinc/00/52/93/970005293.db2.gz AEGCIQWYJOPSLM-IUCAKERBSA-N 1 2 223.276 1.075 20 0 BDADLO CC(=O)c1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001242610285 970016492 /nfs/dbraw/zinc/01/64/92/970016492.db2.gz FTYLRXSZMFCJDH-UHFFFAOYSA-N 1 2 213.240 1.928 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2CCSC2)no1 ZINC001255267514 970019591 /nfs/dbraw/zinc/01/95/91/970019591.db2.gz JYTKNQBXRRZAGD-QMMMGPOBSA-N 1 2 227.333 1.788 20 0 BDADLO FC1(F)C[NH2+]CCN([C@@H]2CCSC2)C1 ZINC001255282186 970035627 /nfs/dbraw/zinc/03/56/27/970035627.db2.gz MIPYUOGUEGFQAR-MRVPVSSYSA-N 1 2 222.304 1.032 20 0 BDADLO FC1(F)C[NH2+]CCN(CCc2ccccc2)C1 ZINC001210815215 970048903 /nfs/dbraw/zinc/04/89/03/970048903.db2.gz PGXGJVZJTYBIHX-UHFFFAOYSA-N 1 2 240.297 1.770 20 0 BDADLO COc1cc[nH+]c(Nc2cncc(CO)c2)c1 ZINC001211100425 970146222 /nfs/dbraw/zinc/14/62/22/970146222.db2.gz UVETXCVCOACZIF-UHFFFAOYSA-N 1 2 231.255 1.721 20 0 BDADLO OC1C[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000291484206 970179052 /nfs/dbraw/zinc/17/90/52/970179052.db2.gz ROHXYENKZZYIJT-UHFFFAOYSA-N 1 2 243.253 1.507 20 0 BDADLO C1C[C@@H](c2nnc([C@@H]3CC4CC[NH+]3CC4)o2)CO1 ZINC001255496632 970262823 /nfs/dbraw/zinc/26/28/23/970262823.db2.gz VABLBQATQGNECY-MNOVXSKESA-N 1 2 249.314 1.730 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(-c2nn[nH]n2)c1 ZINC001243071591 970284643 /nfs/dbraw/zinc/28/46/43/970284643.db2.gz WECYVSQUDPLCGA-UHFFFAOYSA-N 1 2 226.243 1.267 20 0 BDADLO Cc1cc(NCC(=O)CCO)c2[nH+]ccn2c1 ZINC001170101180 970291400 /nfs/dbraw/zinc/29/14/00/970291400.db2.gz RVJAABRETSSQKT-UHFFFAOYSA-N 1 2 233.271 1.006 20 0 BDADLO C[C@H]1CC[C@H]([NH2+][C@@H](CO)C(=O)OC(C)(C)C)C1 ZINC001170109098 970310405 /nfs/dbraw/zinc/31/04/05/970310405.db2.gz JDVVTAOEXVZNGF-DCAQKATOSA-N 1 2 243.347 1.467 20 0 BDADLO COc1cccc(-c2cc(N)cc[nH+]2)n1 ZINC001243097102 970324298 /nfs/dbraw/zinc/32/42/98/970324298.db2.gz LDIAJELSWVKMOR-UHFFFAOYSA-N 1 2 201.229 1.734 20 0 BDADLO Cc1c[nH+]cc(Nc2cnn(C)n2)c1C ZINC001213525257 970349659 /nfs/dbraw/zinc/34/96/59/970349659.db2.gz PQYUMGLFYZMXIV-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001255571555 970364834 /nfs/dbraw/zinc/36/48/34/970364834.db2.gz QIEPCOIBSGQSEZ-SFYZADRCSA-N 1 2 211.227 1.700 20 0 BDADLO COC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001255571555 970364845 /nfs/dbraw/zinc/36/48/45/970364845.db2.gz QIEPCOIBSGQSEZ-SFYZADRCSA-N 1 2 211.227 1.700 20 0 BDADLO COC[C@H](C)[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001255578143 970382081 /nfs/dbraw/zinc/38/20/81/970382081.db2.gz DZWFIUYDALKDPY-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001255578143 970382092 /nfs/dbraw/zinc/38/20/92/970382092.db2.gz DZWFIUYDALKDPY-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO C[C@H]1CC[C@@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001170130367 970388899 /nfs/dbraw/zinc/38/88/99/970388899.db2.gz FSCZBXZRSXONDR-VHSXEESVSA-N 1 2 218.291 1.716 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1F ZINC001204034288 970417167 /nfs/dbraw/zinc/41/71/67/970417167.db2.gz CWGNHRPPTSWGDH-VHSXEESVSA-N 1 2 215.293 1.917 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1F ZINC001204034288 970417172 /nfs/dbraw/zinc/41/71/72/970417172.db2.gz CWGNHRPPTSWGDH-VHSXEESVSA-N 1 2 215.293 1.917 20 0 BDADLO CNc1cc(N[C@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000302555135 970442963 /nfs/dbraw/zinc/44/29/63/970442963.db2.gz KUTSYRQJNOHNJF-MRVPVSSYSA-N 1 2 232.291 1.425 20 0 BDADLO CNc1cc(N[C@H](C)c2cnn(C)c2)[nH+]cn1 ZINC000302555135 970442982 /nfs/dbraw/zinc/44/29/82/970442982.db2.gz KUTSYRQJNOHNJF-MRVPVSSYSA-N 1 2 232.291 1.425 20 0 BDADLO CCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113469436 970444225 /nfs/dbraw/zinc/44/42/25/970444225.db2.gz MTCNZWWEBKBUMG-SECBINFHSA-N 1 2 236.319 1.136 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+]C2(C(=O)OC)CC2)CCO1 ZINC001170164189 970516397 /nfs/dbraw/zinc/51/63/97/970516397.db2.gz DYEGSWMWTLXQSR-NXEZZACHSA-N 1 2 227.304 1.239 20 0 BDADLO Nc1cc(N2CC[C@@H](C3CC3)C2)[nH+]cn1 ZINC000400126604 970552142 /nfs/dbraw/zinc/55/21/42/970552142.db2.gz PUQXYKAFSMBPLE-SECBINFHSA-N 1 2 204.277 1.295 20 0 BDADLO O=c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)o[n-]1 ZINC001256068902 970635583 /nfs/dbraw/zinc/63/55/83/970635583.db2.gz MKIZPYBNSAYPCX-UHFFFAOYSA-N 1 2 237.303 1.097 20 0 BDADLO C[C@@H](Cc1ccccc1Cl)[NH+]1CC(O)C1 ZINC001170265171 970646125 /nfs/dbraw/zinc/64/61/25/970646125.db2.gz FEYOPXBOWOKGNN-VIFPVBQESA-N 1 2 225.719 1.948 20 0 BDADLO CNc1cc(N[C@H]2CO[C@H](C)C2)nc[nH+]1 ZINC000401420052 970690745 /nfs/dbraw/zinc/69/07/45/970690745.db2.gz TYUHVYQWTUNLPN-HTQZYQBOSA-N 1 2 208.265 1.108 20 0 BDADLO CNc1cc(N[C@H]2CO[C@H](C)C2)[nH+]cn1 ZINC000401420052 970690753 /nfs/dbraw/zinc/69/07/53/970690753.db2.gz TYUHVYQWTUNLPN-HTQZYQBOSA-N 1 2 208.265 1.108 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H](C)CCC(C)C)[C@@H](C)O ZINC001256356087 970752416 /nfs/dbraw/zinc/75/24/16/970752416.db2.gz IVVZRPHEPYNQGI-IJLUTSLNSA-N 1 2 245.363 1.713 20 0 BDADLO CC(C)c1cnn(Cc2ccc(N)[nH+]c2)c1 ZINC000402029290 970759429 /nfs/dbraw/zinc/75/94/29/970759429.db2.gz WYAQRGCGENQSLJ-UHFFFAOYSA-N 1 2 216.288 1.862 20 0 BDADLO C[C@H](Cc1nnc(C[NH+](C)C)o1)n1cccn1 ZINC001327355238 972560149 /nfs/dbraw/zinc/56/01/49/972560149.db2.gz UWTDWNDPRHMCPE-SECBINFHSA-N 1 2 235.291 1.131 20 0 BDADLO Cn1c[nH+]cc1COC[C@@H]1CCC=CO1 ZINC001222595132 972591681 /nfs/dbraw/zinc/59/16/81/972591681.db2.gz PYBBGCNKPNBNNJ-NSHDSACASA-N 1 2 208.261 1.629 20 0 BDADLO Cn1c[nH+]cc1COC[C@H]1CCC=CO1 ZINC001222595131 972592808 /nfs/dbraw/zinc/59/28/08/972592808.db2.gz PYBBGCNKPNBNNJ-LLVKDONJSA-N 1 2 208.261 1.629 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001144122178 972594156 /nfs/dbraw/zinc/59/41/56/972594156.db2.gz WJDDDGQCAFJDSM-JTQLQIEISA-N 1 2 248.326 1.363 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001144122178 972594165 /nfs/dbraw/zinc/59/41/65/972594165.db2.gz WJDDDGQCAFJDSM-JTQLQIEISA-N 1 2 248.326 1.363 20 0 BDADLO Cc1cn2c(n1)[C@@H](OCc1c[nH+]cn1C)CCC2 ZINC001222600634 972597902 /nfs/dbraw/zinc/59/79/02/972597902.db2.gz STUSLULKNHGDJZ-LBPRGKRZSA-N 1 2 246.314 1.977 20 0 BDADLO c1cc2ccc(C[N@H+](C3CC3)C3COC3)nc2[nH]1 ZINC001144185635 972677488 /nfs/dbraw/zinc/67/74/88/972677488.db2.gz HQXQNUSXLUQFFG-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1cc2ccc(C[N@@H+](C3CC3)C3COC3)nc2[nH]1 ZINC001144185635 972677498 /nfs/dbraw/zinc/67/74/98/972677498.db2.gz HQXQNUSXLUQFFG-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+]Cc1nccn1C ZINC001327679951 972696342 /nfs/dbraw/zinc/69/63/42/972696342.db2.gz KVTGJQWIDGPVNO-VIFPVBQESA-N 1 2 231.303 1.369 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(O)cn2)CCCC1=O ZINC001144253317 972713721 /nfs/dbraw/zinc/71/37/21/972713721.db2.gz RPDLHIXASSKTRM-JTQLQIEISA-N 1 2 234.299 1.588 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(O)cn2)CCCC1=O ZINC001144253317 972713731 /nfs/dbraw/zinc/71/37/31/972713731.db2.gz RPDLHIXASSKTRM-JTQLQIEISA-N 1 2 234.299 1.588 20 0 BDADLO c1nc(COC2C[NH+](Cc3ccccc3)C2)no1 ZINC001222894558 972730652 /nfs/dbraw/zinc/73/06/52/972730652.db2.gz WOOVPNTYVYDZQB-UHFFFAOYSA-N 1 2 245.282 1.471 20 0 BDADLO CC[NH+]1CC(OCc2nc3ncccc3o2)C1 ZINC001222931030 972751929 /nfs/dbraw/zinc/75/19/29/972751929.db2.gz YVAKQJGDUXXGMW-UHFFFAOYSA-N 1 2 233.271 1.444 20 0 BDADLO Cc1nnc(SCCn2cc[nH+]c2C)[nH]1 ZINC001327910295 972808709 /nfs/dbraw/zinc/80/87/09/972808709.db2.gz GMFHFXTYGRNJKI-UHFFFAOYSA-N 1 2 223.305 1.410 20 0 BDADLO CNC(=O)CN(C)c1cc(C)c2ccccc2[nH+]1 ZINC000198285771 972822467 /nfs/dbraw/zinc/82/24/67/972822467.db2.gz OSJYUZXSKLMKOL-UHFFFAOYSA-N 1 2 243.310 1.725 20 0 BDADLO CCOC(=O)c1ccc(COC2C[NH+](C)C2)o1 ZINC001223081348 972835792 /nfs/dbraw/zinc/83/57/92/972835792.db2.gz BNESXDKJOJQYQA-UHFFFAOYSA-N 1 2 239.271 1.287 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C(F)(F)F)CCC1 ZINC001328127795 972884265 /nfs/dbraw/zinc/88/42/65/972884265.db2.gz CKKAEAMFRZSJDH-UHFFFAOYSA-N 1 2 247.220 1.553 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ncn3ccccc23)CC[C@@H]1F ZINC001144611232 972886830 /nfs/dbraw/zinc/88/68/30/972886830.db2.gz KZLGDSADJYJNQY-GXFFZTMASA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ncn3ccccc23)CC[C@@H]1F ZINC001144611232 972886833 /nfs/dbraw/zinc/88/68/33/972886833.db2.gz KZLGDSADJYJNQY-GXFFZTMASA-N 1 2 249.289 1.239 20 0 BDADLO Cc1cc(C)nc(COC2C[NH+](C)C2)c1 ZINC001223419806 973054930 /nfs/dbraw/zinc/05/49/30/973054930.db2.gz YACCKEFNJBBGQH-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@]23CCOC3)cn1 ZINC001171277594 973146341 /nfs/dbraw/zinc/14/63/41/973146341.db2.gz PPKBMXVTGIPMHQ-LBPRGKRZSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@]23CCOC3)cn1 ZINC001171277594 973146352 /nfs/dbraw/zinc/14/63/52/973146352.db2.gz PPKBMXVTGIPMHQ-LBPRGKRZSA-N 1 2 219.288 1.150 20 0 BDADLO CC[NH+]1CC(OCc2nccc3c2OCO3)C1 ZINC001223750393 973249301 /nfs/dbraw/zinc/24/93/01/973249301.db2.gz BVMKSHQVGLKODA-UHFFFAOYSA-N 1 2 236.271 1.031 20 0 BDADLO Cc1nc(C(=O)Nc2cccc3[nH+]ccn32)c[nH]1 ZINC001146862860 973278389 /nfs/dbraw/zinc/27/83/89/973278389.db2.gz UENXYAYDKHLCPZ-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(Cl)no1 ZINC001146981345 973352037 /nfs/dbraw/zinc/35/20/37/973352037.db2.gz ITADHHAQJZOOBR-UHFFFAOYSA-N 1 2 240.650 1.024 20 0 BDADLO C[C@H](C(=O)NCCC(C)(C)F)n1cc[nH+]c1 ZINC001329402699 973743632 /nfs/dbraw/zinc/74/36/32/973743632.db2.gz NYVKNTDZRWRYBM-SECBINFHSA-N 1 2 227.283 1.699 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001329487021 973796960 /nfs/dbraw/zinc/79/69/60/973796960.db2.gz BMWYFJSDBQSAGQ-UTUOFQBUSA-N 1 2 234.299 1.863 20 0 BDADLO C/C=C/[C@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001148505624 973850710 /nfs/dbraw/zinc/85/07/10/973850710.db2.gz MRQHVGBFNLBFRY-PBKGFPTLSA-N 1 2 231.255 1.210 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)n1cccc1 ZINC001148760688 973889302 /nfs/dbraw/zinc/88/93/02/973889302.db2.gz DEDLJIYCDNVHSF-SNVBAGLBSA-N 1 2 232.287 1.397 20 0 BDADLO Cc1occc1C[NH2+][C@H](C)c1nncn1C ZINC000321607020 973925675 /nfs/dbraw/zinc/92/56/75/973925675.db2.gz YRXVHCAXGFNBIE-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO CCC(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001092189458 973978078 /nfs/dbraw/zinc/97/80/78/973978078.db2.gz MSYLNWPAMRGJIT-UHFFFAOYSA-N 1 2 248.330 1.502 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC001329857496 973978794 /nfs/dbraw/zinc/97/87/94/973978794.db2.gz LYWMZBVCYVEVFN-LMLFDSFASA-N 1 2 249.314 1.054 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC001329857496 973978800 /nfs/dbraw/zinc/97/88/00/973978800.db2.gz LYWMZBVCYVEVFN-LMLFDSFASA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H](CC(F)(F)F)C(=O)NCc1c[nH+]cn1C ZINC001329893153 974009642 /nfs/dbraw/zinc/00/96/42/974009642.db2.gz WYJYLUQQCVULEQ-SSDOTTSWSA-N 1 2 249.236 1.625 20 0 BDADLO Cc1nnc(C[NH+]2CCC3(CCCC3=O)CC2)o1 ZINC001329910767 974022454 /nfs/dbraw/zinc/02/24/54/974022454.db2.gz HEGVKNFOMCXAPK-UHFFFAOYSA-N 1 2 249.314 1.713 20 0 BDADLO CC/C(C)=C\C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093596902 974032062 /nfs/dbraw/zinc/03/20/62/974032062.db2.gz BFEXIAXTFLLIQU-KTKRTIGZSA-N 1 2 248.330 1.669 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)c1ccns1 ZINC001329948627 974042757 /nfs/dbraw/zinc/04/27/57/974042757.db2.gz WANGKYXOFBWKPD-HTQZYQBOSA-N 1 2 237.332 1.683 20 0 BDADLO Cc1nc(NCCCNC(=O)C2CC2)cc[nH+]1 ZINC001094276340 974056360 /nfs/dbraw/zinc/05/63/60/974056360.db2.gz HOKAXVIWOWBACJ-UHFFFAOYSA-N 1 2 234.303 1.113 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171801675 974192723 /nfs/dbraw/zinc/19/27/23/974192723.db2.gz QOHYDXBBLLUUPL-ONGXEEELSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171801675 974192734 /nfs/dbraw/zinc/19/27/34/974192734.db2.gz QOHYDXBBLLUUPL-ONGXEEELSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)c2ncnn21 ZINC001330301461 974221402 /nfs/dbraw/zinc/22/14/02/974221402.db2.gz LYLRGKCHJMGJGH-SCZZXKLOSA-N 1 2 247.277 1.608 20 0 BDADLO Cc1cccc(O[C@H](C)C[NH+]2CCOCC2)n1 ZINC001225276471 974342329 /nfs/dbraw/zinc/34/23/29/974342329.db2.gz UQIXUOLYKKPWEB-GFCCVEGCSA-N 1 2 236.315 1.490 20 0 BDADLO O=C1CC[C@@H]2C[C@@H]([NH+]3C[C@@H](F)[C@H](F)C3)CCN12 ZINC001172161426 974422801 /nfs/dbraw/zinc/42/28/01/974422801.db2.gz HNHNPILCGUJODP-LNFKQOIKSA-N 1 2 244.285 1.132 20 0 BDADLO Cc1nc([C@@H](C)Nc2cc[nH+]cc2F)no1 ZINC001330816614 974486459 /nfs/dbraw/zinc/48/64/59/974486459.db2.gz OTRDOCFBRRGCEE-ZCFIWIBFSA-N 1 2 222.223 1.507 20 0 BDADLO CO[C@H]1CC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC001330829750 974491333 /nfs/dbraw/zinc/49/13/33/974491333.db2.gz VZWOLNACMZCZTD-MNOVXSKESA-N 1 2 222.288 1.553 20 0 BDADLO CC1(C)C[C@@H]([NH2+]C2(c3ncccn3)CC2)CO1 ZINC001172278658 974496629 /nfs/dbraw/zinc/49/66/29/974496629.db2.gz JQAOZSLSHBSPME-SNVBAGLBSA-N 1 2 233.315 1.623 20 0 BDADLO Cc1cncc(O[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001225478520 974517959 /nfs/dbraw/zinc/51/79/59/974517959.db2.gz BPEJFHORTLCPJP-LBPRGKRZSA-N 1 2 236.315 1.490 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@@H]1COC(C)(C)C1 ZINC001172296848 974563832 /nfs/dbraw/zinc/56/38/32/974563832.db2.gz ZZLOJLVPZAEDNA-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@@H]1COC(C)(C)C1 ZINC001172296848 974563842 /nfs/dbraw/zinc/56/38/42/974563842.db2.gz ZZLOJLVPZAEDNA-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO c1ncn2c1C[N@H+](C[C@H]1CC3(CCC3)CO1)CC2 ZINC001331109140 974604172 /nfs/dbraw/zinc/60/41/72/974604172.db2.gz IAMUDFRSBFDHNF-CYBMUJFWSA-N 1 2 247.342 1.658 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@H]1CC3(CCC3)CO1)CC2 ZINC001331109140 974604182 /nfs/dbraw/zinc/60/41/82/974604182.db2.gz IAMUDFRSBFDHNF-CYBMUJFWSA-N 1 2 247.342 1.658 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001172346912 974613759 /nfs/dbraw/zinc/61/37/59/974613759.db2.gz KOPFPJPGGDNJIK-MQYQWHSLSA-N 1 2 240.391 1.968 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001172346912 974613766 /nfs/dbraw/zinc/61/37/66/974613766.db2.gz KOPFPJPGGDNJIK-MQYQWHSLSA-N 1 2 240.391 1.968 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2CC2)C1 ZINC000297288321 974632319 /nfs/dbraw/zinc/63/23/19/974632319.db2.gz AQJYSMBLXOTMBZ-UHFFFAOYSA-N 1 2 208.305 1.163 20 0 BDADLO CCc1nc(C(=O)N[C@H]2CCn3c[nH+]cc32)co1 ZINC001331225335 974652010 /nfs/dbraw/zinc/65/20/10/974652010.db2.gz RJMXSPFNTNUNHA-QMMMGPOBSA-N 1 2 246.270 1.308 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1nncn1C ZINC001331261611 974663743 /nfs/dbraw/zinc/66/37/43/974663743.db2.gz ISEPJHMOTCSBQM-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccnc(Cl)c2)C1 ZINC001225783464 974681908 /nfs/dbraw/zinc/68/19/08/974681908.db2.gz WECDUKNHCLXDER-JTQLQIEISA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccnc(Cl)c2)C1 ZINC001225783464 974681910 /nfs/dbraw/zinc/68/19/10/974681910.db2.gz WECDUKNHCLXDER-JTQLQIEISA-N 1 2 242.706 1.444 20 0 BDADLO COCC[N@H+](C)Cc1cn(C)nc1Cl ZINC001331343723 974690130 /nfs/dbraw/zinc/69/01/30/974690130.db2.gz KSEZZJZJCSTCRY-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C)nc1Cl ZINC001331343723 974690133 /nfs/dbraw/zinc/69/01/33/974690133.db2.gz KSEZZJZJCSTCRY-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO CC(C)OC(=O)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001226070159 974775354 /nfs/dbraw/zinc/77/53/54/974775354.db2.gz FMSAUJKCZFDZBV-UHFFFAOYSA-N 1 2 249.310 1.945 20 0 BDADLO Cc1[nH]c(CNC(=O)Cc2ccccc2)[nH+]c1C ZINC001331604364 974775686 /nfs/dbraw/zinc/77/56/86/974775686.db2.gz VAYBGKRMGFZHHW-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cnc3[nH]ccc3c2)C1 ZINC001226088039 974781817 /nfs/dbraw/zinc/78/18/17/974781817.db2.gz FUDNYQVNRDHWTF-GFCCVEGCSA-N 1 2 247.298 1.224 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cnc3[nH]ccc3c2)C1 ZINC001226088039 974781821 /nfs/dbraw/zinc/78/18/21/974781821.db2.gz FUDNYQVNRDHWTF-GFCCVEGCSA-N 1 2 247.298 1.224 20 0 BDADLO OC1C[NH+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720174 974905363 /nfs/dbraw/zinc/90/53/63/974905363.db2.gz WNRUTEITAHBAOI-NSHDSACASA-N 1 2 223.703 1.484 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3ccccc32)C1 ZINC001226467044 974917258 /nfs/dbraw/zinc/91/72/58/974917258.db2.gz FMBOYLQCRFQIGY-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO C[NH+]1CC(Oc2cc(=O)[nH]c3ccccc32)C1 ZINC001226492398 974925029 /nfs/dbraw/zinc/92/50/29/974925029.db2.gz HFOXKISJECQDDQ-UHFFFAOYSA-N 1 2 230.267 1.633 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCC(=O)C2)CC1 ZINC001172793467 974943440 /nfs/dbraw/zinc/94/34/40/974943440.db2.gz YZHHSNGQFWJNMT-WDEREUQCSA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([N@H+]2CCC(=O)C2)CC1 ZINC001172793467 974943443 /nfs/dbraw/zinc/94/34/43/974943443.db2.gz YZHHSNGQFWJNMT-WDEREUQCSA-N 1 2 239.315 1.383 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172931472 974984371 /nfs/dbraw/zinc/98/43/71/974984371.db2.gz UKKIHINWKFSSBG-MNOVXSKESA-N 1 2 229.320 1.487 20 0 BDADLO OCC(F)(F)C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173127682 975034046 /nfs/dbraw/zinc/03/40/46/975034046.db2.gz IBBGJSHDMCMIOQ-ZETCQYMHSA-N 1 2 248.298 1.218 20 0 BDADLO C[C@@H](C(=O)NC1(C2CC2)CCC1)n1cc[nH+]c1 ZINC001332415713 975101211 /nfs/dbraw/zinc/10/12/11/975101211.db2.gz CDQSTIXGMJWZHG-JTQLQIEISA-N 1 2 233.315 1.893 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CC1 ZINC001332477087 975157247 /nfs/dbraw/zinc/15/72/47/975157247.db2.gz HNDKLQRPJAUNDT-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[NH+]1CC(Oc2cc(OC)ccc2OC)C1 ZINC001227073269 975254030 /nfs/dbraw/zinc/25/40/30/975254030.db2.gz VDNOUOVQUQURPE-UHFFFAOYSA-N 1 2 237.299 1.787 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000258946255 975287255 /nfs/dbraw/zinc/28/72/55/975287255.db2.gz QXMRSWVJFRLLDN-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000258946255 975287263 /nfs/dbraw/zinc/28/72/63/975287263.db2.gz QXMRSWVJFRLLDN-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC(=O)Nc1cc(C)ccc1OC1C[NH+](C)C1 ZINC001227178168 975303498 /nfs/dbraw/zinc/30/34/98/975303498.db2.gz WGIWVVJXKISUKO-UHFFFAOYSA-N 1 2 234.299 1.646 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](OC)C1CC1)C1CC1 ZINC001332963183 975341808 /nfs/dbraw/zinc/34/18/08/975341808.db2.gz XHXBSXYWBDFNKY-NWDGAFQWSA-N 1 2 241.331 1.343 20 0 BDADLO Cn1cc(C[N@@H+]2CC=C[C@H]2CO)c(C(F)F)n1 ZINC001333085598 975399219 /nfs/dbraw/zinc/39/92/19/975399219.db2.gz SZUZIDYTZGNGJQ-VIFPVBQESA-N 1 2 243.257 1.090 20 0 BDADLO Cn1cc(C[N@H+]2CC=C[C@H]2CO)c(C(F)F)n1 ZINC001333085598 975399233 /nfs/dbraw/zinc/39/92/33/975399233.db2.gz SZUZIDYTZGNGJQ-VIFPVBQESA-N 1 2 243.257 1.090 20 0 BDADLO Cc1ccc(O)c(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001227538555 975525590 /nfs/dbraw/zinc/52/55/90/975525590.db2.gz KJHTZNMJEFZCBX-LLVKDONJSA-N 1 2 237.299 1.410 20 0 BDADLO Cc1ccc(O)c(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001227538555 975525610 /nfs/dbraw/zinc/52/56/10/975525610.db2.gz KJHTZNMJEFZCBX-LLVKDONJSA-N 1 2 237.299 1.410 20 0 BDADLO COC(=O)Cc1ccc(OC2C[NH+](C)C2)c(C)c1 ZINC001227721084 975648902 /nfs/dbraw/zinc/64/89/02/975648902.db2.gz XDOSIJUYMAWFPD-UHFFFAOYSA-N 1 2 249.310 1.403 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccccc1F ZINC001173848182 975747130 /nfs/dbraw/zinc/74/71/30/975747130.db2.gz OIVXOQZMYLWALV-UHFFFAOYSA-N 1 2 249.245 1.770 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001333525105 975829008 /nfs/dbraw/zinc/82/90/08/975829008.db2.gz ITKNLVMWUVMYLW-VIFPVBQESA-N 1 2 223.276 1.406 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001333525105 975829010 /nfs/dbraw/zinc/82/90/10/975829010.db2.gz ITKNLVMWUVMYLW-VIFPVBQESA-N 1 2 223.276 1.406 20 0 BDADLO CCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171402622 975858422 /nfs/dbraw/zinc/85/84/22/975858422.db2.gz DCLYIZZSJNYYEN-UHFFFAOYSA-N 1 2 236.319 1.640 20 0 BDADLO COc1cc2c(cc1OC[C@@H]1CCO1)C=[NH+]CC2 ZINC001228089627 975899969 /nfs/dbraw/zinc/89/99/69/975899969.db2.gz JRCYDTPZNXUKCG-LBPRGKRZSA-N 1 2 247.294 1.838 20 0 BDADLO C[C@@H](C(=O)NC/C=C\Cl)n1cc[nH+]c1 ZINC001333624649 975899899 /nfs/dbraw/zinc/89/98/99/975899899.db2.gz HCUYWMCKBJGHFX-KZUAUGPASA-N 1 2 213.668 1.313 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)nc(C)n2)C1 ZINC001228140897 975935835 /nfs/dbraw/zinc/93/58/35/975935835.db2.gz NNOGFKNGKHSCMW-UHFFFAOYSA-N 1 2 207.277 1.176 20 0 BDADLO CNc1cc(N[C@H](CCO)CSC)nc[nH+]1 ZINC001333658796 975939639 /nfs/dbraw/zinc/93/96/39/975939639.db2.gz ZKUVOXQSCKNKOR-MRVPVSSYSA-N 1 2 242.348 1.044 20 0 BDADLO CNc1cc(N[C@H](CCO)CSC)[nH+]cn1 ZINC001333658796 975939650 /nfs/dbraw/zinc/93/96/50/975939650.db2.gz ZKUVOXQSCKNKOR-MRVPVSSYSA-N 1 2 242.348 1.044 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@@H](F)C2)[nH+]cn1 ZINC001333699820 976009704 /nfs/dbraw/zinc/00/97/04/976009704.db2.gz VQGLJIRTSFIPRE-IUCAKERBSA-N 1 2 224.283 1.703 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@@H](F)C2)nc[nH+]1 ZINC001333699820 976009690 /nfs/dbraw/zinc/00/96/90/976009690.db2.gz VQGLJIRTSFIPRE-IUCAKERBSA-N 1 2 224.283 1.703 20 0 BDADLO CCc1nc(NCCC(=O)OC)cc[nH+]1 ZINC001333860414 976125142 /nfs/dbraw/zinc/12/51/42/976125142.db2.gz FIAAKQSGPNBFOD-UHFFFAOYSA-N 1 2 209.249 1.014 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC001228383018 976173319 /nfs/dbraw/zinc/17/33/19/976173319.db2.gz OPAHOTQLTPUEMY-LLVKDONJSA-N 1 2 239.290 1.844 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC001228383018 976173326 /nfs/dbraw/zinc/17/33/26/976173326.db2.gz OPAHOTQLTPUEMY-LLVKDONJSA-N 1 2 239.290 1.844 20 0 BDADLO COc1ncc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001174031763 976230869 /nfs/dbraw/zinc/23/08/69/976230869.db2.gz FHMPPJOSQGJOFH-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO CC[NH+]1CC(Oc2cc(O)cc(O)c2C)C1 ZINC001228490378 976256846 /nfs/dbraw/zinc/25/68/46/976256846.db2.gz HAZRILOIGYYGBA-UHFFFAOYSA-N 1 2 223.272 1.489 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1F ZINC001334199347 976365414 /nfs/dbraw/zinc/36/54/14/976365414.db2.gz XOOQYFDIWWJOTJ-ZJUUUORDSA-N 1 2 234.278 1.914 20 0 BDADLO CC[N@@H+]1CCC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228662686 976418035 /nfs/dbraw/zinc/41/80/35/976418035.db2.gz KIJICEFUWWGRAH-NSHDSACASA-N 1 2 246.314 1.821 20 0 BDADLO CC[N@H+]1CCC[C@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228662686 976418041 /nfs/dbraw/zinc/41/80/41/976418041.db2.gz KIJICEFUWWGRAH-NSHDSACASA-N 1 2 246.314 1.821 20 0 BDADLO CON(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001334305727 976435714 /nfs/dbraw/zinc/43/57/14/976435714.db2.gz YXJLWTSKHSWTQT-SNVBAGLBSA-N 1 2 237.303 1.244 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC2(CCO2)CC1 ZINC001334406076 976498863 /nfs/dbraw/zinc/49/88/63/976498863.db2.gz XSAJVBDIWWWDAX-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Nc1cc(CNc2ccc(O)cc2)cc[nH+]1 ZINC000259600588 976521557 /nfs/dbraw/zinc/52/15/57/976521557.db2.gz YQVYOYQQDUPTCD-UHFFFAOYSA-N 1 2 215.256 1.982 20 0 BDADLO Cc1ncnc(C)c1OC1C[NH+](C(C)C)C1 ZINC001228850334 976527316 /nfs/dbraw/zinc/52/73/16/976527316.db2.gz KGKRDTPFYGPRPC-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO COc1[nH+]ccc(N)c1Nc1ccc(=O)n(C)c1 ZINC001174355612 976598362 /nfs/dbraw/zinc/59/83/62/976598362.db2.gz HZUJJGMPBYWNPT-UHFFFAOYSA-N 1 2 246.270 1.115 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ncccc2C2CC2)C1 ZINC001229015247 976651798 /nfs/dbraw/zinc/65/17/98/976651798.db2.gz UNCNYPASTDEIEI-LBPRGKRZSA-N 1 2 248.326 1.668 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ncccc2C2CC2)C1 ZINC001229015247 976651816 /nfs/dbraw/zinc/65/18/16/976651816.db2.gz UNCNYPASTDEIEI-LBPRGKRZSA-N 1 2 248.326 1.668 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccoc2)C1 ZINC001206223768 976686223 /nfs/dbraw/zinc/68/62/23/976686223.db2.gz YOWZYNWZGPJJBC-VIFPVBQESA-N 1 2 234.221 1.745 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccoc2)C1 ZINC001206223768 976686233 /nfs/dbraw/zinc/68/62/33/976686233.db2.gz YOWZYNWZGPJJBC-VIFPVBQESA-N 1 2 234.221 1.745 20 0 BDADLO Cc1nc2cc(OC3C[NH+](C)C3)ccc2o1 ZINC001229074101 976696325 /nfs/dbraw/zinc/69/63/25/976696325.db2.gz GTLCJAMXFOCEHF-UHFFFAOYSA-N 1 2 218.256 1.829 20 0 BDADLO C[NH+]1CC(Oc2ccn3ccnc3c2)C1 ZINC001229104192 976732993 /nfs/dbraw/zinc/73/29/93/976732993.db2.gz CAEJGFMLAOTLOX-UHFFFAOYSA-N 1 2 203.245 1.027 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccn3ccnc3c2)C1 ZINC001229109280 976738491 /nfs/dbraw/zinc/73/84/91/976738491.db2.gz SBLOJAWKENCFGF-GFCCVEGCSA-N 1 2 247.298 1.044 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccn3ccnc3c2)C1 ZINC001229109280 976738506 /nfs/dbraw/zinc/73/85/06/976738506.db2.gz SBLOJAWKENCFGF-GFCCVEGCSA-N 1 2 247.298 1.044 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)C2CC2)c[nH+]1 ZINC001334933776 976796700 /nfs/dbraw/zinc/79/67/00/976796700.db2.gz LWVCHBRNNGEMEH-JTQLQIEISA-N 1 2 235.331 1.841 20 0 BDADLO Cc1nc(N[C@H](C)c2cncs2)nc(N)[nH+]1 ZINC001335118933 976855902 /nfs/dbraw/zinc/85/59/02/976855902.db2.gz VJZMJIGVWLLHOT-RXMQYKEDSA-N 1 2 236.304 1.392 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)c2cncs2)[nH+]1 ZINC001335118933 976855912 /nfs/dbraw/zinc/85/59/12/976855912.db2.gz VJZMJIGVWLLHOT-RXMQYKEDSA-N 1 2 236.304 1.392 20 0 BDADLO Cc1cc(-n2c(C)[nH+]c3ccc(N)cc32)n(C)n1 ZINC001174825795 977083350 /nfs/dbraw/zinc/08/33/50/977083350.db2.gz FJJGXSYFUYKILP-UHFFFAOYSA-N 1 2 241.298 1.958 20 0 BDADLO Nc1cccc(C[N@@H+]2CCn3nccc3C2)c1 ZINC001174863149 977132537 /nfs/dbraw/zinc/13/25/37/977132537.db2.gz GWPZRVYMKANEFK-UHFFFAOYSA-N 1 2 228.299 1.481 20 0 BDADLO Nc1cccc(C[N@H+]2CCn3nccc3C2)c1 ZINC001174863149 977132542 /nfs/dbraw/zinc/13/25/42/977132542.db2.gz GWPZRVYMKANEFK-UHFFFAOYSA-N 1 2 228.299 1.481 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc3ccccc3[nH]2)C1 ZINC001230744014 977321367 /nfs/dbraw/zinc/32/13/67/977321367.db2.gz GCTWKGPETGTTPZ-LBPRGKRZSA-N 1 2 246.310 1.877 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc3ccccc3[nH]2)C1 ZINC001230744014 977321376 /nfs/dbraw/zinc/32/13/76/977321376.db2.gz GCTWKGPETGTTPZ-LBPRGKRZSA-N 1 2 246.310 1.877 20 0 BDADLO C[NH+]1CC(Oc2ncnc3c(Cl)cccc23)C1 ZINC001230775310 977331682 /nfs/dbraw/zinc/33/16/82/977331682.db2.gz DDERUYHYVYHUCS-UHFFFAOYSA-N 1 2 249.701 1.976 20 0 BDADLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230835108 977346681 /nfs/dbraw/zinc/34/66/81/977346681.db2.gz ULHCPXWNVXVDTF-GFCCVEGCSA-N 1 2 244.354 1.925 20 0 BDADLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230835108 977346691 /nfs/dbraw/zinc/34/66/91/977346691.db2.gz ULHCPXWNVXVDTF-GFCCVEGCSA-N 1 2 244.354 1.925 20 0 BDADLO CCN1CC(Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230913983 977379894 /nfs/dbraw/zinc/37/98/94/977379894.db2.gz CXHCPUDHAKNLSH-UHFFFAOYSA-N 1 2 246.310 1.450 20 0 BDADLO C[C@H](O)C(=O)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081551 977472174 /nfs/dbraw/zinc/47/21/74/977472174.db2.gz NAGUGKBZCUZXMQ-QMMMGPOBSA-N 1 2 232.239 1.363 20 0 BDADLO C[C@H](CON)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083707 977473307 /nfs/dbraw/zinc/47/33/07/977473307.db2.gz NOUAMXOTAKHZCZ-SNVBAGLBSA-N 1 2 247.298 1.745 20 0 BDADLO CCOc1ncc(Nc2[nH+]cc(C)cc2N)cn1 ZINC001175556090 977538143 /nfs/dbraw/zinc/53/81/43/977538143.db2.gz OXHCSIFIXGQIBD-UHFFFAOYSA-N 1 2 245.286 1.905 20 0 BDADLO Nc1ccc[nH+]c1Nc1ccc(CO)cc1 ZINC001175563568 977548439 /nfs/dbraw/zinc/54/84/39/977548439.db2.gz XNJIJQQSJHVDLJ-UHFFFAOYSA-N 1 2 215.256 1.900 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1(C)CC1 ZINC001336202007 977560668 /nfs/dbraw/zinc/56/06/68/977560668.db2.gz PAQFOBKEGUDESB-VHSXEESVSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1(C)CC1 ZINC001336202007 977560675 /nfs/dbraw/zinc/56/06/75/977560675.db2.gz PAQFOBKEGUDESB-VHSXEESVSA-N 1 2 235.331 1.893 20 0 BDADLO CCOc1nccnc1N=C1CCC[N@H+](C)C1 ZINC001175575224 977573840 /nfs/dbraw/zinc/57/38/40/977573840.db2.gz PDNMNHUPXLFBCL-UHFFFAOYSA-N 1 2 234.303 1.507 20 0 BDADLO CCOc1nccnc1N=C1CCC[N@@H+](C)C1 ZINC001175575224 977573847 /nfs/dbraw/zinc/57/38/47/977573847.db2.gz PDNMNHUPXLFBCL-UHFFFAOYSA-N 1 2 234.303 1.507 20 0 BDADLO C[N@@H+]1CCC=C(Nc2ncccc2O)C1 ZINC001175574139 977575140 /nfs/dbraw/zinc/57/51/40/977575140.db2.gz NCUXDBCRRYEFFN-UHFFFAOYSA-N 1 2 205.261 1.419 20 0 BDADLO C[N@H+]1CCC=C(Nc2ncccc2O)C1 ZINC001175574139 977575154 /nfs/dbraw/zinc/57/51/54/977575154.db2.gz NCUXDBCRRYEFFN-UHFFFAOYSA-N 1 2 205.261 1.419 20 0 BDADLO C[C@H]1CCC(F)(F)CN1C(=O)Cn1cc[nH+]c1 ZINC001336261054 977604137 /nfs/dbraw/zinc/60/41/37/977604137.db2.gz IZMSVMTYAWUQLZ-VIFPVBQESA-N 1 2 243.257 1.529 20 0 BDADLO CCN1CC[NH+](Cc2c[nH]c3cccnc23)CC1 ZINC001231486513 977606723 /nfs/dbraw/zinc/60/67/23/977606723.db2.gz VDFPLRPBWXYVJO-UHFFFAOYSA-N 1 2 244.342 1.700 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cc(Br)c[nH]2)C1 ZINC001231572425 977633252 /nfs/dbraw/zinc/63/32/52/977633252.db2.gz ZBQBZBGKUDYKNM-SECBINFHSA-N 1 2 245.120 1.344 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cc(Br)c[nH]2)C1 ZINC001231572425 977633257 /nfs/dbraw/zinc/63/32/57/977633257.db2.gz ZBQBZBGKUDYKNM-SECBINFHSA-N 1 2 245.120 1.344 20 0 BDADLO C[N@@H+]1CCC12CN(CC(=O)c1cccs1)C2 ZINC001277538431 977635642 /nfs/dbraw/zinc/63/56/42/977635642.db2.gz JWMRNQOHAWFPFD-UHFFFAOYSA-N 1 2 236.340 1.321 20 0 BDADLO C[N@H+]1CCC12CN(CC(=O)c1cccs1)C2 ZINC001277538431 977635653 /nfs/dbraw/zinc/63/56/53/977635653.db2.gz JWMRNQOHAWFPFD-UHFFFAOYSA-N 1 2 236.340 1.321 20 0 BDADLO Cc1cccc(Nc2cnc(N)nc2C)[nH+]1 ZINC001175663574 977641795 /nfs/dbraw/zinc/64/17/95/977641795.db2.gz ICAICFHNWXKRJA-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO COc1cc(Nc2cnc(N)nc2C)cc(C)[nH+]1 ZINC001175665498 977646521 /nfs/dbraw/zinc/64/65/21/977646521.db2.gz IDZZZCBWBNULTM-UHFFFAOYSA-N 1 2 245.286 1.823 20 0 BDADLO Cc1ccc(O)cc1C[NH+]1CC2(CCN2C)C1 ZINC001277545539 977658742 /nfs/dbraw/zinc/65/87/42/977658742.db2.gz UAVCICBOKFMAEC-UHFFFAOYSA-N 1 2 232.327 1.591 20 0 BDADLO CCc1ccc(C[NH+]2CC(CC(=O)OC)C2)nc1 ZINC001231640978 977661760 /nfs/dbraw/zinc/66/17/60/977661760.db2.gz PPUFTXPASNJNKV-UHFFFAOYSA-N 1 2 248.326 1.639 20 0 BDADLO CCc1ccc(N2CCC[C@H](CO)C2)[nH+]c1 ZINC001336439661 977684509 /nfs/dbraw/zinc/68/45/09/977684509.db2.gz QHDBSNFBBMLJOX-LBPRGKRZSA-N 1 2 220.316 1.853 20 0 BDADLO CCOc1ncccc1C[N@@H+]1CCOCC12CC2 ZINC001231764859 977736135 /nfs/dbraw/zinc/73/61/35/977736135.db2.gz ADLKCBNHIKTHJI-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ncccc1C[N@H+]1CCOCC12CC2 ZINC001231764859 977736147 /nfs/dbraw/zinc/73/61/47/977736147.db2.gz ADLKCBNHIKTHJI-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ncccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001231767638 977742352 /nfs/dbraw/zinc/74/23/52/977742352.db2.gz YBWQOCLEJMFQIH-CQSZACIVSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ncccc1C[N@H+]1CC[C@]12CCOC2 ZINC001231767638 977742361 /nfs/dbraw/zinc/74/23/61/977742361.db2.gz YBWQOCLEJMFQIH-CQSZACIVSA-N 1 2 248.326 1.845 20 0 BDADLO Cc1noc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC001336542910 977763417 /nfs/dbraw/zinc/76/34/17/977763417.db2.gz JACHTXWESZINGS-ONGXEEELSA-N 1 2 247.302 1.662 20 0 BDADLO CCc1ccc(N2CCN(C(C)=O)C[C@H]2C)[nH+]c1 ZINC001336545895 977767641 /nfs/dbraw/zinc/76/76/41/977767641.db2.gz YZAHDOLHAHPUPS-LLVKDONJSA-N 1 2 247.342 1.701 20 0 BDADLO c1[nH]nc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)ccc12 ZINC001231906522 977793997 /nfs/dbraw/zinc/79/39/97/977793997.db2.gz AMRUYBYDMDXEMR-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)ccc12 ZINC001231906522 977794001 /nfs/dbraw/zinc/79/40/01/977794001.db2.gz AMRUYBYDMDXEMR-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO CC[N@H+](Cc1cnc(F)c(C)c1)C1COC1 ZINC001231927065 977795710 /nfs/dbraw/zinc/79/57/10/977795710.db2.gz IQKHZYOIZGCHKH-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO COc1cc[nH+]c(CN2CCC(=O)CC2)c1 ZINC001231966338 977814909 /nfs/dbraw/zinc/81/49/09/977814909.db2.gz CAIFCNQQAXTBDN-UHFFFAOYSA-N 1 2 220.272 1.255 20 0 BDADLO CO[C@@H]1CN(c2cc(F)cc(C)[nH+]2)C[C@@H]1OC ZINC001336620430 977814934 /nfs/dbraw/zinc/81/49/34/977814934.db2.gz ASZWGEIWFJXDFB-PHIMTYICSA-N 1 2 240.278 1.379 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)C1(C)COC1 ZINC001231983314 977822287 /nfs/dbraw/zinc/82/22/87/977822287.db2.gz SDDOOLJMYIWZOX-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)C1(C)COC1 ZINC001231983314 977822291 /nfs/dbraw/zinc/82/22/91/977822291.db2.gz SDDOOLJMYIWZOX-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(C[NH+]2CC(N3CC(F)C3)C2)cc(C)n1 ZINC001231995106 977827768 /nfs/dbraw/zinc/82/77/68/977827768.db2.gz HCIDJHUUAFJRRW-UHFFFAOYSA-N 1 2 249.333 1.536 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3ccnc3C2)cc(C)n1 ZINC001231997342 977829669 /nfs/dbraw/zinc/82/96/69/977829669.db2.gz NEFCTDQFYOGZFN-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C[N@H+]2CCn3ccnc3C2)cc(C)n1 ZINC001231997342 977829675 /nfs/dbraw/zinc/82/96/75/977829675.db2.gz NEFCTDQFYOGZFN-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO O=c1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)n[nH]1 ZINC001232022307 977849178 /nfs/dbraw/zinc/84/91/78/977849178.db2.gz PLZUZKYGXFTSDU-UHFFFAOYSA-N 1 2 241.241 1.413 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1ccc(=O)[nH]n1 ZINC001232022338 977849273 /nfs/dbraw/zinc/84/92/73/977849273.db2.gz QYJJRTKIVRBFHI-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1ccc(=O)[nH]n1 ZINC001232022338 977849274 /nfs/dbraw/zinc/84/92/74/977849274.db2.gz QYJJRTKIVRBFHI-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1cncc(O)c1 ZINC001232038468 977863503 /nfs/dbraw/zinc/86/35/03/977863503.db2.gz FOAXDUUSGDZDTF-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1cncc(O)c1 ZINC001232038468 977863507 /nfs/dbraw/zinc/86/35/07/977863507.db2.gz FOAXDUUSGDZDTF-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO CC(=O)N1CC=C(Nc2[nH+]cc(C)cc2N)CC1 ZINC001176030281 977865390 /nfs/dbraw/zinc/86/53/90/977865390.db2.gz OWXQBSTXNCDSPU-UHFFFAOYSA-N 1 2 246.314 1.520 20 0 BDADLO C/C=C/n1cnc2c1ncnc2Nc1[nH]cc[nH+]1 ZINC001176081741 977876232 /nfs/dbraw/zinc/87/62/32/977876232.db2.gz BBLTXOFJPVAXFL-GORDUTHDSA-N 1 2 241.258 1.784 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC3(CC3)C2)c(C2CC2)n1 ZINC001232170677 977905102 /nfs/dbraw/zinc/90/51/02/977905102.db2.gz BRFRLAJZHZBXHX-UHFFFAOYSA-N 1 2 247.342 1.662 20 0 BDADLO Cn1cc(C[N@H+]2CCOC3(CC3)C2)c(C2CC2)n1 ZINC001232170677 977905113 /nfs/dbraw/zinc/90/51/13/977905113.db2.gz BRFRLAJZHZBXHX-UHFFFAOYSA-N 1 2 247.342 1.662 20 0 BDADLO CC[C@H](F)C(=O)NCCCn1cc[nH+]c1 ZINC001336749571 977915513 /nfs/dbraw/zinc/91/55/13/977915513.db2.gz ZOKYYDZUYLUCIR-VIFPVBQESA-N 1 2 213.256 1.138 20 0 BDADLO COc1cc[nH+]cc1Nc1cncc(N)n1 ZINC001176116831 977945226 /nfs/dbraw/zinc/94/52/26/977945226.db2.gz MCJWHJNBIMSUKJ-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO COc1nn(C)cc1Nc1c[nH+]ccc1OC ZINC001176118794 977948481 /nfs/dbraw/zinc/94/84/81/977948481.db2.gz IDTFQVLGUHLHHY-UHFFFAOYSA-N 1 2 234.259 1.576 20 0 BDADLO COc1cc[nH+]cc1Nc1cccnc1CO ZINC001176119680 977948804 /nfs/dbraw/zinc/94/88/04/977948804.db2.gz YZQBIXUHKHOOLT-UHFFFAOYSA-N 1 2 231.255 1.721 20 0 BDADLO COc1cc[nH+]cc1Nc1ncncc1C ZINC001176121759 977959809 /nfs/dbraw/zinc/95/98/09/977959809.db2.gz OINYRTGADVUDQP-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001336792195 977960901 /nfs/dbraw/zinc/96/09/01/977960901.db2.gz KPVLZOZZCBTIIB-NEPJUHHUSA-N 1 2 249.314 1.040 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@]3(CCCO3)C2)s1 ZINC001232243807 977968872 /nfs/dbraw/zinc/96/88/72/977968872.db2.gz YIHZDFZFZQOVNA-LLVKDONJSA-N 1 2 239.344 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@]3(CCCO3)C2)s1 ZINC001232243807 977968882 /nfs/dbraw/zinc/96/88/82/977968882.db2.gz YIHZDFZFZQOVNA-LLVKDONJSA-N 1 2 239.344 1.601 20 0 BDADLO CCC[N@H+](CCOC)Cc1nnc(C)s1 ZINC001232243452 977970384 /nfs/dbraw/zinc/97/03/84/977970384.db2.gz LTTZMYQQPVWZCF-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO CCC[N@@H+](CCOC)Cc1nnc(C)s1 ZINC001232243452 977970399 /nfs/dbraw/zinc/97/03/99/977970399.db2.gz LTTZMYQQPVWZCF-UHFFFAOYSA-N 1 2 229.349 1.705 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001232245515 977973038 /nfs/dbraw/zinc/97/30/38/977973038.db2.gz DEYMEJLOYIMHGK-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001232245515 977973045 /nfs/dbraw/zinc/97/30/45/977973045.db2.gz DEYMEJLOYIMHGK-JTQLQIEISA-N 1 2 241.360 1.847 20 0 BDADLO COCc1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001232301447 977993185 /nfs/dbraw/zinc/99/31/85/977993185.db2.gz CEPGJQUBJHUGHO-UHFFFAOYSA-N 1 2 233.311 1.808 20 0 BDADLO CSc1ccc(C[NH+]2CC(C)(CO)C2)cn1 ZINC001232325119 978004859 /nfs/dbraw/zinc/00/48/59/978004859.db2.gz UPJIPUMDJQOMGK-UHFFFAOYSA-N 1 2 238.356 1.618 20 0 BDADLO COc1ccc(C[N@H+](C)C2(C)COC2)c(C)n1 ZINC001232335707 978009118 /nfs/dbraw/zinc/00/91/18/978009118.db2.gz CGMBNOUUGRCDSI-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO COc1ccc(C[N@@H+](C)C2(C)COC2)c(C)n1 ZINC001232335707 978009123 /nfs/dbraw/zinc/00/91/23/978009123.db2.gz CGMBNOUUGRCDSI-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CCC(=O)[C@@H](F)C1 ZINC001232341440 978020547 /nfs/dbraw/zinc/02/05/47/978020547.db2.gz WNZZTXHSUCVFIA-JTQLQIEISA-N 1 2 237.278 1.085 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccc(N)nc2)CCC1=O ZINC001232364089 978038231 /nfs/dbraw/zinc/03/82/31/978038231.db2.gz ICBMJYYIMZAZFB-JTQLQIEISA-N 1 2 233.315 1.465 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccc(N)nc2)CCC1=O ZINC001232364089 978038238 /nfs/dbraw/zinc/03/82/38/978038238.db2.gz ICBMJYYIMZAZFB-JTQLQIEISA-N 1 2 233.315 1.465 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC001232465789 978082600 /nfs/dbraw/zinc/08/26/00/978082600.db2.gz PURYFNVRQXQUQD-SNVBAGLBSA-N 1 2 207.277 1.129 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC001232465789 978082616 /nfs/dbraw/zinc/08/26/16/978082616.db2.gz PURYFNVRQXQUQD-SNVBAGLBSA-N 1 2 207.277 1.129 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC001232465789 978082623 /nfs/dbraw/zinc/08/26/23/978082623.db2.gz PURYFNVRQXQUQD-SNVBAGLBSA-N 1 2 207.277 1.129 20 0 BDADLO OCCn1cc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001176473461 978093620 /nfs/dbraw/zinc/09/36/20/978093620.db2.gz XBDAQLWVHFXARE-UHFFFAOYSA-N 1 2 243.270 1.267 20 0 BDADLO Cc1cc([C@H]2CCCC[N@@H+]2CCO)n[nH]1 ZINC001176474464 978097638 /nfs/dbraw/zinc/09/76/38/978097638.db2.gz JXVAIVODGDJESH-LLVKDONJSA-N 1 2 209.293 1.237 20 0 BDADLO Cc1cc([C@H]2CCCC[N@H+]2CCO)n[nH]1 ZINC001176474464 978097650 /nfs/dbraw/zinc/09/76/50/978097650.db2.gz JXVAIVODGDJESH-LLVKDONJSA-N 1 2 209.293 1.237 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(O)cc1O)n1cc[nH+]c1 ZINC001176488527 978099451 /nfs/dbraw/zinc/09/94/51/978099451.db2.gz HJOQQWCMEJYUGW-QMMMGPOBSA-N 1 2 247.254 1.494 20 0 BDADLO Cc1ncc(C[NH+]2CCC(n3cccn3)CC2)[nH]1 ZINC001232465202 978105420 /nfs/dbraw/zinc/10/54/20/978105420.db2.gz YGFZGFKWYKVNME-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO C/C(=C\C(=O)NCCn1cc[nH+]c1)c1ccco1 ZINC001595684501 978127379 /nfs/dbraw/zinc/12/73/79/978127379.db2.gz KUSOSXHIYFPBSK-PKNBQFBNSA-N 1 2 245.282 1.696 20 0 BDADLO C=C/C=C/CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001595835805 978144865 /nfs/dbraw/zinc/14/48/65/978144865.db2.gz YLCMRSXBFQGMBM-SGUJLRQBSA-N 1 2 219.288 1.520 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C12CCC(CC1)CC2 ZINC001337054391 978145875 /nfs/dbraw/zinc/14/58/75/978145875.db2.gz WESUJZYAQXPCDJ-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CO[C@@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337058062 978147048 /nfs/dbraw/zinc/14/70/48/978147048.db2.gz QFJZUEIHRXDZRJ-SNVBAGLBSA-N 1 2 210.252 1.754 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccn1 ZINC001232493486 978148526 /nfs/dbraw/zinc/14/85/26/978148526.db2.gz WRVIUQZSVQBDGI-TXEJJXNPSA-N 1 2 234.274 1.917 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccn1 ZINC001232493486 978148527 /nfs/dbraw/zinc/14/85/27/978148527.db2.gz WRVIUQZSVQBDGI-TXEJJXNPSA-N 1 2 234.274 1.917 20 0 BDADLO C[N@H+](Cc1ccncn1)Cc1cccc(CF)n1 ZINC001232540793 978168168 /nfs/dbraw/zinc/16/81/68/978168168.db2.gz LGUNOJUMGOXCNT-UHFFFAOYSA-N 1 2 246.289 1.973 20 0 BDADLO C[N@@H+](Cc1ccncn1)Cc1cccc(CF)n1 ZINC001232540793 978168172 /nfs/dbraw/zinc/16/81/72/978168172.db2.gz LGUNOJUMGOXCNT-UHFFFAOYSA-N 1 2 246.289 1.973 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1cccc(F)c1 ZINC001176788370 978179445 /nfs/dbraw/zinc/17/94/45/978179445.db2.gz VMIOFUWILNJICD-BDAKNGLRSA-N 1 2 249.293 1.761 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1c[nH]c2cccnc12 ZINC001176827319 978190969 /nfs/dbraw/zinc/19/09/69/978190969.db2.gz ICUKDHGYYUEBRU-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO c1cc2c(cn1)cncc2C[NH+]1CCOCC1 ZINC001232646806 978211053 /nfs/dbraw/zinc/21/10/53/978211053.db2.gz DUXPJCKLXLXLHB-UHFFFAOYSA-N 1 2 229.283 1.462 20 0 BDADLO Cc1cc(O)cnc1NC(=O)CCn1cc[nH+]c1 ZINC001176873583 978223415 /nfs/dbraw/zinc/22/34/15/978223415.db2.gz WICMZHBGUVSBTO-UHFFFAOYSA-N 1 2 246.270 1.321 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@H]2CCC(C)(C)O2)n1 ZINC001176887661 978236466 /nfs/dbraw/zinc/23/64/66/978236466.db2.gz UHZFALZGAUPAKC-GFCCVEGCSA-N 1 2 237.347 1.810 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@H]2CCC(C)(C)O2)n1 ZINC001176887661 978236474 /nfs/dbraw/zinc/23/64/74/978236474.db2.gz UHZFALZGAUPAKC-GFCCVEGCSA-N 1 2 237.347 1.810 20 0 BDADLO CC(C)SCC(=O)NCCc1cn(C)c[nH+]1 ZINC001596634957 978242116 /nfs/dbraw/zinc/24/21/16/978242116.db2.gz QARVRHVFVHIPTM-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO CN(CC(=O)N[C@@H]1CC12CCC2)c1cccc[nH+]1 ZINC001177417101 978350397 /nfs/dbraw/zinc/35/03/97/978350397.db2.gz LGAIIELYHGJWRJ-LLVKDONJSA-N 1 2 245.326 1.577 20 0 BDADLO CC[C@H](C)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177413896 978351848 /nfs/dbraw/zinc/35/18/48/978351848.db2.gz KKUZOUYDNDAPMW-JTQLQIEISA-N 1 2 221.304 1.433 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C)cc1C ZINC001233005422 978393649 /nfs/dbraw/zinc/39/36/49/978393649.db2.gz NYXJQFNFSWOUEA-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C)cc1C ZINC001233005422 978393658 /nfs/dbraw/zinc/39/36/58/978393658.db2.gz NYXJQFNFSWOUEA-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO Cc1cc(C)c(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC001233007988 978402390 /nfs/dbraw/zinc/40/23/90/978402390.db2.gz XTXQJTQXSCBTAU-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1cc(C)c(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC001233007988 978402394 /nfs/dbraw/zinc/40/23/94/978402394.db2.gz XTXQJTQXSCBTAU-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1cc(C)c(C[N@@H+](C)C2(C)COC2)cn1 ZINC001233010563 978408624 /nfs/dbraw/zinc/40/86/24/978408624.db2.gz XTJKCBURWTTWCR-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@H+](C)C2(C)COC2)cn1 ZINC001233010563 978408628 /nfs/dbraw/zinc/40/86/28/978408628.db2.gz XTJKCBURWTTWCR-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CCc1cc(C[NH2+]Cc2nccn2CC)[nH]n1 ZINC001177810708 978449061 /nfs/dbraw/zinc/44/90/61/978449061.db2.gz OVEVSHKJZUGWNE-UHFFFAOYSA-N 1 2 233.319 1.478 20 0 BDADLO CC1CC([N@H+](C)Cc2nc3ccccn3n2)C1 ZINC001233067536 978455665 /nfs/dbraw/zinc/45/56/65/978455665.db2.gz ARTASSRLBPMODG-UHFFFAOYSA-N 1 2 230.315 1.960 20 0 BDADLO CC1CC([N@@H+](C)Cc2nc3ccccn3n2)C1 ZINC001233067536 978455673 /nfs/dbraw/zinc/45/56/73/978455673.db2.gz ARTASSRLBPMODG-UHFFFAOYSA-N 1 2 230.315 1.960 20 0 BDADLO CCC[C@@H](CCO)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177930040 978477840 /nfs/dbraw/zinc/47/78/40/978477840.db2.gz XJNGONZRYDYUJX-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO CC[N@H+](Cc1cnc(C)c(C)c1)C1COC1 ZINC001233161290 978480866 /nfs/dbraw/zinc/48/08/66/978480866.db2.gz DNRKHPBFXRRLEZ-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CC[N@@H+](Cc1cnc(C)c(C)c1)C1COC1 ZINC001233161290 978480870 /nfs/dbraw/zinc/48/08/70/978480870.db2.gz DNRKHPBFXRRLEZ-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@H+]2CCCN(C)C(=O)C2)cnc1C ZINC001233161651 978482174 /nfs/dbraw/zinc/48/21/74/978482174.db2.gz GNRYZPQISQZTJS-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO Cc1cc(C[N@@H+]2CCCN(C)C(=O)C2)cnc1C ZINC001233161651 978482175 /nfs/dbraw/zinc/48/21/75/978482175.db2.gz GNRYZPQISQZTJS-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO CC1(C)C[C@H](CNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001177998591 978485242 /nfs/dbraw/zinc/48/52/42/978485242.db2.gz VYHMYWOFUROHCV-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO O=C1CCC[N@H+](Cc2cnn3ccccc23)CC1 ZINC001233237318 978509672 /nfs/dbraw/zinc/50/96/72/978509672.db2.gz NRBKCRDLIWCNNQ-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCC[N@@H+](Cc2cnn3ccccc23)CC1 ZINC001233237318 978509678 /nfs/dbraw/zinc/50/96/78/978509678.db2.gz NRBKCRDLIWCNNQ-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@@H]1F ZINC001204214127 978537771 /nfs/dbraw/zinc/53/77/71/978537771.db2.gz HTCGBCBRALDGTE-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@@H]1F ZINC001204214127 978537783 /nfs/dbraw/zinc/53/77/83/978537783.db2.gz HTCGBCBRALDGTE-RYUDHWBXSA-N 1 2 245.244 1.870 20 0 BDADLO CCc1ccc(N2CCO[C@@H]([C@@H](C)O)C2)[nH+]c1 ZINC001337910133 978561904 /nfs/dbraw/zinc/56/19/04/978561904.db2.gz MZDPIWYJTPMRSZ-ZYHUDNBSSA-N 1 2 236.315 1.230 20 0 BDADLO C/C=C(C)/C=C/C(=O)N1CCc2[nH+]ccn2CC1 ZINC001178511339 978578357 /nfs/dbraw/zinc/57/83/57/978578357.db2.gz SOIBOLOIALQMAY-NPFHFJLZSA-N 1 2 245.326 1.790 20 0 BDADLO Nc1cccc(CN2CCC[C@@H](F)C(=O)C2)[nH+]1 ZINC001233368935 978582794 /nfs/dbraw/zinc/58/27/94/978582794.db2.gz OPACMMQQJBGMLP-SNVBAGLBSA-N 1 2 237.278 1.167 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ncnn1CC)C2 ZINC001337983507 978582748 /nfs/dbraw/zinc/58/27/48/978582748.db2.gz LXVNFLJBIFNDKS-UHFFFAOYSA-N 1 2 246.318 1.077 20 0 BDADLO Nc1cccc(CN2CC3(C2)CCCCO3)[nH+]1 ZINC001233369405 978583654 /nfs/dbraw/zinc/58/36/54/978583654.db2.gz NDEBWJDRXXEASM-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO CN(Cc1ccno1)Cc1cccc(N)[nH+]1 ZINC001233372826 978589264 /nfs/dbraw/zinc/58/92/64/978589264.db2.gz HIAZXKJBCPGPKY-UHFFFAOYSA-N 1 2 218.260 1.284 20 0 BDADLO C[C@@H]1CC2(CN1c1cc(N)nc[nH+]1)CCOCC2 ZINC001338029604 978593458 /nfs/dbraw/zinc/59/34/58/978593458.db2.gz SFMARSSXFLKUAV-SNVBAGLBSA-N 1 2 248.330 1.454 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc(Cl)n2)CC[C@@H]1O ZINC001233446964 978601684 /nfs/dbraw/zinc/60/16/84/978601684.db2.gz PHMPCCPWYJETBA-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc(Cl)n2)CC[C@@H]1O ZINC001233446964 978601689 /nfs/dbraw/zinc/60/16/89/978601689.db2.gz PHMPCCPWYJETBA-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncc(Cl)n2)C[C@@H]1O ZINC001233446667 978603393 /nfs/dbraw/zinc/60/33/93/978603393.db2.gz DIVSFADIEMHKBY-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncc(Cl)n2)C[C@@H]1O ZINC001233446667 978603397 /nfs/dbraw/zinc/60/33/97/978603397.db2.gz DIVSFADIEMHKBY-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO CCc1[nH]c(CNC(=O)Cc2occc2C)c[nH+]1 ZINC001178670194 978603423 /nfs/dbraw/zinc/60/34/23/978603423.db2.gz UGKTWCMCSQTOPN-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO CCc1[nH]cc(CNC(=O)Cc2occc2C)[nH+]1 ZINC001178670194 978603425 /nfs/dbraw/zinc/60/34/25/978603425.db2.gz UGKTWCMCSQTOPN-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO Cc1nocc1Cc1noc(Cn2cc[nH+]c2)n1 ZINC001338362053 978664462 /nfs/dbraw/zinc/66/44/62/978664462.db2.gz MGNNJIYBUJCQDY-UHFFFAOYSA-N 1 2 245.242 1.202 20 0 BDADLO COc1ccccc1OC(=O)C[NH2+]C(C)(C)C ZINC001338412473 978675264 /nfs/dbraw/zinc/67/52/64/978675264.db2.gz MZLUBNLJLQJACS-UHFFFAOYSA-N 1 2 237.299 1.989 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)ccc1C(=O)[O-] ZINC001600210175 978679692 /nfs/dbraw/zinc/67/96/92/978679692.db2.gz IFZYHZUYNXGHGP-ZWNOBZJWSA-N 1 2 248.326 1.391 20 0 BDADLO C[NH+]1CC(Oc2ccc3ncc(F)cc3n2)C1 ZINC001233736911 978680818 /nfs/dbraw/zinc/68/08/18/978680818.db2.gz OPUNQISDJRYNMT-UHFFFAOYSA-N 1 2 233.246 1.462 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1ccncn1 ZINC001204247373 978711373 /nfs/dbraw/zinc/71/13/73/978711373.db2.gz JLKCAEAHLIVFOK-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1ccncn1 ZINC001204247373 978711377 /nfs/dbraw/zinc/71/13/77/978711377.db2.gz JLKCAEAHLIVFOK-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO COc1ncc(C[N@H+](C)Cc2ccccn2)cn1 ZINC001206382228 978712208 /nfs/dbraw/zinc/71/22/08/978712208.db2.gz VYIIEUDHIXHEBY-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ncc(C[N@@H+](C)Cc2ccccn2)cn1 ZINC001206382228 978712213 /nfs/dbraw/zinc/71/22/13/978712213.db2.gz VYIIEUDHIXHEBY-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001338889081 978746136 /nfs/dbraw/zinc/74/61/36/978746136.db2.gz VPLWJTQOOHVKLD-QWRGUYRKSA-N 1 2 223.320 1.949 20 0 BDADLO Cn1ccc(=O)c(OC2C[NH+](C(C)(C)C)C2)c1 ZINC001234031416 978758186 /nfs/dbraw/zinc/75/81/86/978758186.db2.gz XKZTYFFRJPYFLW-UHFFFAOYSA-N 1 2 236.315 1.247 20 0 BDADLO CC[NH2+][C@H](C)CN(C)C(=O)C(F)C(F)(F)F ZINC001277827064 978763124 /nfs/dbraw/zinc/76/31/24/978763124.db2.gz UORQMVKCPXITOX-RQJHMYQMSA-N 1 2 244.232 1.343 20 0 BDADLO CCn1c(C)nnc1OC1C[NH+](C(C)C)C1 ZINC001234099075 978775559 /nfs/dbraw/zinc/77/55/59/978775559.db2.gz YASMZVWJXJJXLR-UHFFFAOYSA-N 1 2 224.308 1.078 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccon1 ZINC001180017527 978807161 /nfs/dbraw/zinc/80/71/61/978807161.db2.gz DZDUXGMXSZGODG-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO O=C([O-])[C@@H]1CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC001601794502 978850207 /nfs/dbraw/zinc/85/02/07/978850207.db2.gz WOLTYQKXGYEIFN-MXWKQRLJSA-N 1 2 249.314 1.041 20 0 BDADLO O=C(CCC(F)=C(F)F)NCCn1cc[nH+]c1 ZINC001180272821 978852940 /nfs/dbraw/zinc/85/29/40/978852940.db2.gz CHOXYSNIRQKYPC-UHFFFAOYSA-N 1 2 247.220 1.857 20 0 BDADLO C[C@@H](O)CC(=O)Oc1cc2[nH]ccc2c[nH+]1 ZINC001234528282 978855336 /nfs/dbraw/zinc/85/53/36/978855336.db2.gz HYGJQDXQNCKXPU-SSDOTTSWSA-N 1 2 220.228 1.239 20 0 BDADLO COC(=O)c1cccc(COC2C[NH+](C)C2)c1 ZINC001206416591 978862698 /nfs/dbraw/zinc/86/26/98/978862698.db2.gz OAZPHMWXFVCOIT-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO Cc1cc(F)cc(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC001339665744 978891678 /nfs/dbraw/zinc/89/16/78/978891678.db2.gz GTMVSCVLVDFEKW-VIFPVBQESA-N 1 2 237.278 1.196 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001180692556 978931476 /nfs/dbraw/zinc/93/14/76/978931476.db2.gz ISWPQKRIIGBVIS-VHSXEESVSA-N 1 2 246.301 1.727 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001180692556 978931478 /nfs/dbraw/zinc/93/14/78/978931478.db2.gz ISWPQKRIIGBVIS-VHSXEESVSA-N 1 2 246.301 1.727 20 0 BDADLO CCn1ccc(C(=O)OCc2ccc[nH+]c2N)n1 ZINC001339896960 978935799 /nfs/dbraw/zinc/93/57/99/978935799.db2.gz VBLQXEMRCKOIDM-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(F)cn2)CCC[C@@H]1O ZINC001235004236 978947838 /nfs/dbraw/zinc/94/78/38/978947838.db2.gz JELWRGCKAAMQAM-KOLCDFICSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(F)cn2)CCC[C@@H]1O ZINC001235004236 978947841 /nfs/dbraw/zinc/94/78/41/978947841.db2.gz JELWRGCKAAMQAM-KOLCDFICSA-N 1 2 239.294 1.209 20 0 BDADLO Fc1cnc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)nc1 ZINC001235008504 978950375 /nfs/dbraw/zinc/95/03/75/978950375.db2.gz WJNOGLORAVBDCG-ZJUUUORDSA-N 1 2 237.278 1.084 20 0 BDADLO Fc1cnc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)nc1 ZINC001235008504 978950379 /nfs/dbraw/zinc/95/03/79/978950379.db2.gz WJNOGLORAVBDCG-ZJUUUORDSA-N 1 2 237.278 1.084 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2ncc(F)cn2)[C@@H]1CO ZINC001235008031 978950491 /nfs/dbraw/zinc/95/04/91/978950491.db2.gz UMMOPTBGNZWNOM-GXSJLCMTSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2ncc(F)cn2)[C@@H]1CO ZINC001235008031 978950494 /nfs/dbraw/zinc/95/04/94/978950494.db2.gz UMMOPTBGNZWNOM-GXSJLCMTSA-N 1 2 239.294 1.209 20 0 BDADLO Fc1cnc(C[NH+]2CCC3(CCO3)CC2)nc1 ZINC001235010018 978953869 /nfs/dbraw/zinc/95/38/69/978953869.db2.gz CQCMVGMIHZVQOF-UHFFFAOYSA-N 1 2 237.278 1.371 20 0 BDADLO OC1C[NH+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235036475 978959200 /nfs/dbraw/zinc/95/92/00/978959200.db2.gz SMYSGCJMMIZJIZ-UHFFFAOYSA-N 1 2 246.285 1.997 20 0 BDADLO CCc1cccc(C[N@@H+]2CCOC[C@H]2C)n1 ZINC001235252568 979006247 /nfs/dbraw/zinc/00/62/47/979006247.db2.gz FHZYNEXENYXLTO-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1cccc(C[N@H+]2CCOC[C@H]2C)n1 ZINC001235252568 979006252 /nfs/dbraw/zinc/00/62/52/979006252.db2.gz FHZYNEXENYXLTO-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1(C)C ZINC001340309152 979010181 /nfs/dbraw/zinc/01/01/81/979010181.db2.gz QQADQXWUWFRFJQ-RKDXNWHRSA-N 1 2 248.317 1.864 20 0 BDADLO Nc1cc(CC(=O)N2C[C@@H]3C[C@H]2C[C@H]3F)cc[nH+]1 ZINC001181249439 979021455 /nfs/dbraw/zinc/02/14/55/979021455.db2.gz ZFYWBOWDIALDDU-GARJFASQSA-N 1 2 249.289 1.165 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181257786 979041012 /nfs/dbraw/zinc/04/10/12/979041012.db2.gz VBMAPGKPSQDXHQ-NSHDSACASA-N 1 2 247.342 1.711 20 0 BDADLO C[C@@H]([NH2+]Cc1nncs1)c1cccnc1 ZINC001340714210 979078122 /nfs/dbraw/zinc/07/81/22/979078122.db2.gz RBNMWKSLDVZDMB-MRVPVSSYSA-N 1 2 220.301 1.784 20 0 BDADLO C[NH+]1CC(NC(=O)CC2CCC(F)(F)CC2)C1 ZINC001181431803 979089223 /nfs/dbraw/zinc/08/92/23/979089223.db2.gz YEYWYEQYWMWJAQ-UHFFFAOYSA-N 1 2 246.301 1.632 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1c(C)ncn1C ZINC001235551858 979089437 /nfs/dbraw/zinc/08/94/37/979089437.db2.gz GBIAUOTVUZRJGF-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1c(C)ncn1C ZINC001235551858 979089446 /nfs/dbraw/zinc/08/94/46/979089446.db2.gz GBIAUOTVUZRJGF-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO Cc1ccc(-n2cnc(N)c3ccnc2-3)c(C)[nH+]1 ZINC001203367152 979104537 /nfs/dbraw/zinc/10/45/37/979104537.db2.gz IOQQOYIFPQVISV-UHFFFAOYSA-N 1 2 239.282 1.966 20 0 BDADLO Cc1cc(NC(=O)c2cncc(O)c2)cc(C)[nH+]1 ZINC001341242538 979292763 /nfs/dbraw/zinc/29/27/63/979292763.db2.gz CRYRRLWXFOOBNQ-UHFFFAOYSA-N 1 2 243.266 1.473 20 0 BDADLO c1cc(-c2cnc3nonc3c2)c2c([nH+]1)NCC2 ZINC001236033934 979329600 /nfs/dbraw/zinc/32/96/00/979329600.db2.gz JBGPBFLODUQMLX-UHFFFAOYSA-N 1 2 239.238 1.648 20 0 BDADLO CCN(C(=O)[C@H]1CC1(CC)CC)C1C[NH+](C)C1 ZINC001181881626 979351414 /nfs/dbraw/zinc/35/14/14/979351414.db2.gz DXBUKASDBICWHZ-GFCCVEGCSA-N 1 2 238.375 1.975 20 0 BDADLO OCCCC[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001236112458 979393455 /nfs/dbraw/zinc/39/34/55/979393455.db2.gz PPBLMRNDJRPYBW-NSHDSACASA-N 1 2 240.372 1.467 20 0 BDADLO OCCCC[N@H+]1CCNC[C@H]1c1cccs1 ZINC001236112458 979393461 /nfs/dbraw/zinc/39/34/61/979393461.db2.gz PPBLMRNDJRPYBW-NSHDSACASA-N 1 2 240.372 1.467 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001341445831 979403893 /nfs/dbraw/zinc/40/38/93/979403893.db2.gz PQMFRCCWTKVGFG-MXWKQRLJSA-N 1 2 237.303 1.080 20 0 BDADLO CC(C)(C)[NH2+]CC[NH+]1CCC(C(=O)[O-])CC1 ZINC001603350710 979443366 /nfs/dbraw/zinc/44/33/66/979443366.db2.gz HFCSLUMZRSJTPN-UHFFFAOYSA-N 1 2 228.336 1.171 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001236245150 979468300 /nfs/dbraw/zinc/46/83/00/979468300.db2.gz KOKDQUKTZRKKMX-LLVKDONJSA-N 1 2 234.299 1.308 20 0 BDADLO [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC001236245150 979468303 /nfs/dbraw/zinc/46/83/03/979468303.db2.gz KOKDQUKTZRKKMX-LLVKDONJSA-N 1 2 234.299 1.308 20 0 BDADLO C[N@H+](CCO)Cc1n[nH]c2ccc(Cl)cc21 ZINC001236254254 979473502 /nfs/dbraw/zinc/47/35/02/979473502.db2.gz VETYCJAWKIDJGV-UHFFFAOYSA-N 1 2 239.706 1.640 20 0 BDADLO C[N@@H+](CCO)Cc1n[nH]c2ccc(Cl)cc21 ZINC001236254254 979473507 /nfs/dbraw/zinc/47/35/07/979473507.db2.gz VETYCJAWKIDJGV-UHFFFAOYSA-N 1 2 239.706 1.640 20 0 BDADLO CNC(=O)C1C[NH+](Cc2cccn2C(F)F)C1 ZINC001182227445 979478223 /nfs/dbraw/zinc/47/82/23/979478223.db2.gz NUKKAEQMTUFNDA-UHFFFAOYSA-N 1 2 243.257 1.061 20 0 BDADLO Cn1nnc2cc(-c3ccc(N)[nH+]c3)ccc21 ZINC001236313476 979520176 /nfs/dbraw/zinc/52/01/76/979520176.db2.gz PQJIGLIHGPMQEY-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)CNC(=O)N3)c[nH+]1 ZINC001236313473 979521081 /nfs/dbraw/zinc/52/10/81/979521081.db2.gz POSUATTWWFWHSE-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO Cn1c2ccc(-c3ccc(N)[nH+]c3)cc2oc1=O ZINC001236313711 979525479 /nfs/dbraw/zinc/52/54/79/979525479.db2.gz XZDZMUFTHMGVCH-UHFFFAOYSA-N 1 2 241.250 1.776 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)OCC(=O)N3)c[nH+]1 ZINC001236313671 979526199 /nfs/dbraw/zinc/52/61/99/979526199.db2.gz UXRPYFLOTLKLMZ-UHFFFAOYSA-N 1 2 241.250 1.662 20 0 BDADLO O=C(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC001182669122 979588876 /nfs/dbraw/zinc/58/88/76/979588876.db2.gz QCVJNHGGHMADNP-UHFFFAOYSA-N 1 2 247.298 1.095 20 0 BDADLO O=C(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CC1 ZINC001182669122 979588882 /nfs/dbraw/zinc/58/88/82/979588882.db2.gz QCVJNHGGHMADNP-UHFFFAOYSA-N 1 2 247.298 1.095 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001604332832 979620608 /nfs/dbraw/zinc/62/06/08/979620608.db2.gz MHADARXQZVASQX-GUBZILKMSA-N 1 2 228.336 1.025 20 0 BDADLO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)[O-])co1 ZINC001604333490 979621440 /nfs/dbraw/zinc/62/14/40/979621440.db2.gz WOERRYZZVPPVRR-WPRPVWTQSA-N 1 2 240.303 1.612 20 0 BDADLO Clc1nccnc1CN1CCn2c[nH+]cc2C1 ZINC001236622659 979683101 /nfs/dbraw/zinc/68/31/01/979683101.db2.gz XFQRURJRPBGFAB-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccc(F)c(O)c2)cn1 ZINC001236701361 979698686 /nfs/dbraw/zinc/69/86/86/979698686.db2.gz FDXWDIODNOYQAN-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccc(F)c(O)c2)cn1 ZINC001236701361 979698692 /nfs/dbraw/zinc/69/86/92/979698692.db2.gz FDXWDIODNOYQAN-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3occc32)CC(=O)N1 ZINC001236735831 979719627 /nfs/dbraw/zinc/71/96/27/979719627.db2.gz UIJSBOVVMAELQY-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3occc32)CC(=O)N1 ZINC001236735831 979719631 /nfs/dbraw/zinc/71/96/31/979719631.db2.gz UIJSBOVVMAELQY-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C(=O)[O-] ZINC001236898901 979786575 /nfs/dbraw/zinc/78/65/75/979786575.db2.gz ADBBGHRIJQEFRT-VIFPVBQESA-N 1 2 222.288 1.164 20 0 BDADLO C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001236898901 979786578 /nfs/dbraw/zinc/78/65/78/979786578.db2.gz ADBBGHRIJQEFRT-VIFPVBQESA-N 1 2 222.288 1.164 20 0 BDADLO Cc1nc2c(o1)CC[N@H+](CCCCO)C2 ZINC001237187467 979831326 /nfs/dbraw/zinc/83/13/26/979831326.db2.gz HKNWWBQFVMQAHV-UHFFFAOYSA-N 1 2 210.277 1.114 20 0 BDADLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@H+]3C)c1C ZINC001278090862 979877682 /nfs/dbraw/zinc/87/76/82/979877682.db2.gz UIRXLMQAATZSLL-SKDRFNHKSA-N 1 2 235.287 1.324 20 0 BDADLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@@H+]3C)c1C ZINC001278090862 979877685 /nfs/dbraw/zinc/87/76/85/979877685.db2.gz UIRXLMQAATZSLL-SKDRFNHKSA-N 1 2 235.287 1.324 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-] ZINC001605478161 979880651 /nfs/dbraw/zinc/88/06/51/979880651.db2.gz VKMSBCDOLULKPR-DDHJBXDOSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-] ZINC001605478161 979880652 /nfs/dbraw/zinc/88/06/52/979880652.db2.gz VKMSBCDOLULKPR-DDHJBXDOSA-N 1 2 240.347 1.170 20 0 BDADLO CCN(C(=O)C1(C2CC2)CC1)C1C[NH+](C)C1 ZINC001183799142 979888441 /nfs/dbraw/zinc/88/84/41/979888441.db2.gz CHNKMOQACANLKW-UHFFFAOYSA-N 1 2 222.332 1.339 20 0 BDADLO CC(C)N(C)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183928885 979910395 /nfs/dbraw/zinc/91/03/95/979910395.db2.gz IOMOJMLFTRCWFU-UHFFFAOYSA-N 1 2 221.304 1.463 20 0 BDADLO C[NH+]1CC(NC(=O)C2=Cc3ccccc3C2)C1 ZINC001183977228 979922772 /nfs/dbraw/zinc/92/27/72/979922772.db2.gz ABTROSWNDYCDLW-UHFFFAOYSA-N 1 2 228.295 1.056 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)ccn2n1 ZINC001237539182 979931403 /nfs/dbraw/zinc/93/14/03/979931403.db2.gz LTBWFZVBIMDOHS-STQMWFEESA-N 1 2 229.283 1.307 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@@H]4C[C@H]3CO4)ccn2n1 ZINC001237539182 979931406 /nfs/dbraw/zinc/93/14/06/979931406.db2.gz LTBWFZVBIMDOHS-STQMWFEESA-N 1 2 229.283 1.307 20 0 BDADLO C[N@H+](Cc1ccn2nccc2c1)C1COC1 ZINC001237540803 979931450 /nfs/dbraw/zinc/93/14/50/979931450.db2.gz QYTPKHRVMALKPL-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO C[N@@H+](Cc1ccn2nccc2c1)C1COC1 ZINC001237540803 979931459 /nfs/dbraw/zinc/93/14/59/979931459.db2.gz QYTPKHRVMALKPL-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](CO)C[C@H](F)C1 ZINC001237588725 979951906 /nfs/dbraw/zinc/95/19/06/979951906.db2.gz UEYFOVREZFOFGB-MNOVXSKESA-N 1 2 241.310 1.055 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC001237598252 979953037 /nfs/dbraw/zinc/95/30/37/979953037.db2.gz BILYEOMLFBEZEY-GFCCVEGCSA-N 1 2 228.299 1.794 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC001237598252 979953043 /nfs/dbraw/zinc/95/30/43/979953043.db2.gz BILYEOMLFBEZEY-GFCCVEGCSA-N 1 2 228.299 1.794 20 0 BDADLO CCn1c[nH+]cc1CN1Cc2ncsc2C1 ZINC001237596487 979955191 /nfs/dbraw/zinc/95/51/91/979955191.db2.gz ZDCJOZZVHASJJD-UHFFFAOYSA-N 1 2 234.328 1.875 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)co2)C1 ZINC001237642202 979992126 /nfs/dbraw/zinc/99/21/26/979992126.db2.gz IQCLBSNPKSXEOD-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)co2)C1 ZINC001237642202 979992131 /nfs/dbraw/zinc/99/21/31/979992131.db2.gz IQCLBSNPKSXEOD-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237647241 979997255 /nfs/dbraw/zinc/99/72/55/979997255.db2.gz RUHHZDMPUYHVQR-BXUZGUMPSA-N 1 2 249.358 1.973 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237647241 979997261 /nfs/dbraw/zinc/99/72/61/979997261.db2.gz RUHHZDMPUYHVQR-BXUZGUMPSA-N 1 2 249.358 1.973 20 0 BDADLO CC[C@@H](C)C(=O)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001184319369 980014366 /nfs/dbraw/zinc/01/43/66/980014366.db2.gz OOXLLBHNKVMBBH-OUAUKWLOSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H](C)C(=O)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001184319369 980014377 /nfs/dbraw/zinc/01/43/77/980014377.db2.gz OOXLLBHNKVMBBH-OUAUKWLOSA-N 1 2 240.347 1.153 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCC[C@H](OC)C1 ZINC001237651864 980014960 /nfs/dbraw/zinc/01/49/60/980014960.db2.gz MGDUZFPIWMGIGH-NSHDSACASA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCC[C@H](OC)C1 ZINC001237651864 980014973 /nfs/dbraw/zinc/01/49/73/980014973.db2.gz MGDUZFPIWMGIGH-NSHDSACASA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001237655301 980018812 /nfs/dbraw/zinc/01/88/12/980018812.db2.gz SPTLVZCDDHIBLY-ZDUSSCGKSA-N 1 2 248.374 1.642 20 0 BDADLO CCc1[nH]ncc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001237655301 980018820 /nfs/dbraw/zinc/01/88/20/980018820.db2.gz SPTLVZCDDHIBLY-ZDUSSCGKSA-N 1 2 248.374 1.642 20 0 BDADLO CC(=O)[C@@H](C)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184334013 980037142 /nfs/dbraw/zinc/03/71/42/980037142.db2.gz GFZOAKPCBXQPGF-VIFPVBQESA-N 1 2 246.310 1.546 20 0 BDADLO CC(=O)[C@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184335530 980039525 /nfs/dbraw/zinc/03/95/25/980039525.db2.gz JXJOMLYDZNJJGR-SECBINFHSA-N 1 2 245.282 1.888 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]3C[C@H]32)nc1 ZINC001237808431 980052489 /nfs/dbraw/zinc/05/24/89/980052489.db2.gz WXHLWWQPPTZFAA-WDEREUQCSA-N 1 2 203.289 1.769 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]3C[C@H]32)nc1 ZINC001237808431 980052500 /nfs/dbraw/zinc/05/25/00/980052500.db2.gz WXHLWWQPPTZFAA-WDEREUQCSA-N 1 2 203.289 1.769 20 0 BDADLO CC(C)N(C(=O)C[C@H]([NH3+])C(F)F)C1CCC1 ZINC001343293953 980057746 /nfs/dbraw/zinc/05/77/46/980057746.db2.gz BBOSWENSURVAHB-VIFPVBQESA-N 1 2 234.290 1.758 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2c[nH]ccc2=O)C[C@H]1F ZINC001237835091 980078326 /nfs/dbraw/zinc/07/83/26/980078326.db2.gz OCXHTXZUVQNHDK-NEPJUHHUSA-N 1 2 242.269 1.647 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2c[nH]ccc2=O)C[C@H]1F ZINC001237835091 980078334 /nfs/dbraw/zinc/07/83/34/980078334.db2.gz OCXHTXZUVQNHDK-NEPJUHHUSA-N 1 2 242.269 1.647 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC001343457423 980114121 /nfs/dbraw/zinc/11/41/21/980114121.db2.gz QFFPQNDLBMMRRA-QWRGUYRKSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)NC[C@H]1C ZINC001237968719 980119867 /nfs/dbraw/zinc/11/98/67/980119867.db2.gz QCYUTTCJUFEMDO-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)NC[C@H]1C ZINC001237968719 980119869 /nfs/dbraw/zinc/11/98/69/980119869.db2.gz QCYUTTCJUFEMDO-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ocnc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001343629054 980172286 /nfs/dbraw/zinc/17/22/86/980172286.db2.gz CVJPTANMMCXLIN-UHFFFAOYSA-N 1 2 231.215 1.278 20 0 BDADLO CCc1onc(C)c1NC(=O)C[C@H]([NH3+])C(F)F ZINC001343646336 980178014 /nfs/dbraw/zinc/17/80/14/980178014.db2.gz WXBPEEOPIRAWGA-LURJTMIESA-N 1 2 247.245 1.466 20 0 BDADLO C[N@H+](Cc1c(N)ccnc1F)[C@@H]1CCCOC1 ZINC001238156357 980181248 /nfs/dbraw/zinc/18/12/48/980181248.db2.gz LDGIXOKPUMXCMN-SECBINFHSA-N 1 2 239.294 1.414 20 0 BDADLO C[N@@H+](Cc1c(N)ccnc1F)[C@@H]1CCCOC1 ZINC001238156357 980181253 /nfs/dbraw/zinc/18/12/53/980181253.db2.gz LDGIXOKPUMXCMN-SECBINFHSA-N 1 2 239.294 1.414 20 0 BDADLO Cc1ccc(F)c(NC(=O)NC2C[NH+](C)C2)c1 ZINC001185268901 980206185 /nfs/dbraw/zinc/20/61/85/980206185.db2.gz AQHCPENZAFDSCB-UHFFFAOYSA-N 1 2 237.278 1.570 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncnc1C ZINC001238174941 980209529 /nfs/dbraw/zinc/20/95/29/980209529.db2.gz FEECTYXZQXHGPV-ZDUSSCGKSA-N 1 2 233.315 1.729 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cncnc1C ZINC001238174941 980209534 /nfs/dbraw/zinc/20/95/34/980209534.db2.gz FEECTYXZQXHGPV-ZDUSSCGKSA-N 1 2 233.315 1.729 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)C1CCC1 ZINC001343719056 980218369 /nfs/dbraw/zinc/21/83/69/980218369.db2.gz PLCUDYKGVGROMX-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO C[C@@]1(O)C[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001185461835 980229394 /nfs/dbraw/zinc/22/93/94/980229394.db2.gz FVNAVLNICYHEIU-GMZHKTEUSA-N 1 2 245.282 1.434 20 0 BDADLO Cc1cc(C[NH+]2CC(CO)C2)ncc1Cl ZINC001238417643 980245970 /nfs/dbraw/zinc/24/59/70/980245970.db2.gz DOCHXCWPTLRNLV-UHFFFAOYSA-N 1 2 226.707 1.468 20 0 BDADLO C[NH+]1CC(NC(=O)C23CCC(F)(CC2)CC3)C1 ZINC001185536733 980250415 /nfs/dbraw/zinc/25/04/15/980250415.db2.gz LKHSVGMENZAERS-UHFFFAOYSA-N 1 2 240.322 1.479 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCNC(=O)C2)c(C)c1 ZINC001238427450 980258438 /nfs/dbraw/zinc/25/84/38/980258438.db2.gz VDRKKEWQXQCBDN-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Cc1cnc(C[N@H+]2CCCNC(=O)C2)c(C)c1 ZINC001238427450 980258452 /nfs/dbraw/zinc/25/84/52/980258452.db2.gz VDRKKEWQXQCBDN-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Cc1ccc(OC(C)C)cc1C[NH+]1CC(O)C1 ZINC001238475181 980278312 /nfs/dbraw/zinc/27/83/12/980278312.db2.gz CMPSRSZIEYSZAV-UHFFFAOYSA-N 1 2 235.327 1.959 20 0 BDADLO O=C(NC1CCCC1)N1CCc2[nH+]ccn2CC1 ZINC001185885859 980303697 /nfs/dbraw/zinc/30/36/97/980303697.db2.gz CJDYIAMTYWANOT-UHFFFAOYSA-N 1 2 248.330 1.393 20 0 BDADLO C[C@H](C(=O)N1CCCc2n[nH]cc21)n1cc[nH+]c1 ZINC001344090605 980346880 /nfs/dbraw/zinc/34/68/80/980346880.db2.gz YKACLJZNYHYWJN-SECBINFHSA-N 1 2 245.286 1.147 20 0 BDADLO Cc1[nH+]cn(-c2ccc(-c3cnoc3)nn2)c1C ZINC001239170852 980482920 /nfs/dbraw/zinc/48/29/20/980482920.db2.gz DHWLHAKWJAJWLY-UHFFFAOYSA-N 1 2 241.254 1.934 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC=N1 ZINC001187354303 980520487 /nfs/dbraw/zinc/52/04/87/980520487.db2.gz JDAGHHYIHVFPDS-SNVBAGLBSA-N 1 2 228.255 1.506 20 0 BDADLO COc1ccnc(NCc2c[nH]c(C(C)C)[nH+]2)n1 ZINC001187724783 980542072 /nfs/dbraw/zinc/54/20/72/980542072.db2.gz PFIPTDAIPZFDLE-UHFFFAOYSA-N 1 2 247.302 1.944 20 0 BDADLO COc1ccnc(NCc2c[nH+]c(C(C)C)[nH]2)n1 ZINC001187724783 980542075 /nfs/dbraw/zinc/54/20/75/980542075.db2.gz PFIPTDAIPZFDLE-UHFFFAOYSA-N 1 2 247.302 1.944 20 0 BDADLO Cc1ccncc1C(=O)NCCc1[nH+]ccn1C ZINC001188240941 980624232 /nfs/dbraw/zinc/62/42/32/980624232.db2.gz HGSYCBYHUVLMTH-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1ccc(O)c(CC[NH+]2CCOCC2)c1 ZINC001250276884 980650050 /nfs/dbraw/zinc/65/00/50/980650050.db2.gz SHXBHIWGHPAFOX-UHFFFAOYSA-N 1 2 221.300 1.575 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1cc(F)c[nH]1 ZINC001188478780 980652610 /nfs/dbraw/zinc/65/26/10/980652610.db2.gz NXFFOWTVJFDDBX-UHFFFAOYSA-N 1 2 245.257 1.712 20 0 BDADLO O=C(NCCOc1cc[nH+]cc1)c1ccc[nH]1 ZINC001188582228 980674271 /nfs/dbraw/zinc/67/42/71/980674271.db2.gz RQQMKWQCHJUUQM-UHFFFAOYSA-N 1 2 231.255 1.219 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1cccnn1 ZINC001188663062 980682390 /nfs/dbraw/zinc/68/23/90/980682390.db2.gz WMVDRROTAUFICQ-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO COc1ncc(-c2cc[nH+]c(N)c2)cc1F ZINC001239513319 980685578 /nfs/dbraw/zinc/68/55/78/980685578.db2.gz ZVKHOCCHZSLFAJ-UHFFFAOYSA-N 1 2 219.219 1.874 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@@H]2C=CCC2)o1 ZINC001345942251 980713423 /nfs/dbraw/zinc/71/34/23/980713423.db2.gz ZWDNLMWNPUOPLP-SECBINFHSA-N 1 2 207.277 1.640 20 0 BDADLO CCc1ncoc1C(=O)NCCCn1cc[nH+]c1 ZINC001346163013 980770888 /nfs/dbraw/zinc/77/08/88/980770888.db2.gz PDJWYHGWLOXXCS-UHFFFAOYSA-N 1 2 248.286 1.254 20 0 BDADLO C/C=C(/C)C(=O)OCCCc1c[nH+]cn1C ZINC001346235196 980793967 /nfs/dbraw/zinc/79/39/67/980793967.db2.gz IMIOTEGVHSFBKB-WMZJFQQLSA-N 1 2 222.288 1.862 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OC(C)C)[C@H]1CCCCO1 ZINC001346438737 980838766 /nfs/dbraw/zinc/83/87/66/980838766.db2.gz QOMMIMANGWUQTM-NWDGAFQWSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1cc(C(=O)N(CC)C2C[NH+](C)C2)no1 ZINC001190000344 980840388 /nfs/dbraw/zinc/84/03/88/980840388.db2.gz MGVYFUCBHUBMOP-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO FC(F)Cc1ccc[nH+]c1N1CCOCC1 ZINC001250392325 980909276 /nfs/dbraw/zinc/90/92/76/980909276.db2.gz QUNVFUFYZYKCLM-UHFFFAOYSA-N 1 2 228.242 1.726 20 0 BDADLO CC[C@H](F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001347191154 980999300 /nfs/dbraw/zinc/99/93/00/980999300.db2.gz QLAOSIWIYKQWRL-VIFPVBQESA-N 1 2 227.283 1.483 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCc1cccs1 ZINC001347239202 981017949 /nfs/dbraw/zinc/01/79/49/981017949.db2.gz LXYUEJCQHJUQRP-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C23CC(C2)C3)co1 ZINC001347447893 981080585 /nfs/dbraw/zinc/08/05/85/981080585.db2.gz DFROOMZENQNQGW-UHFFFAOYSA-N 1 2 249.314 1.153 20 0 BDADLO Cc1c(C(=O)NCCc2cn(C)c[nH+]2)ccn1C ZINC001191848419 981095540 /nfs/dbraw/zinc/09/55/40/981095540.db2.gz FPDZIBKMXGHLIW-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO CNC(=O)c1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001240013954 981100008 /nfs/dbraw/zinc/10/00/08/981100008.db2.gz NAQLMQJNRHQRJS-UHFFFAOYSA-N 1 2 241.294 1.999 20 0 BDADLO Cc1conc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001347646622 981135832 /nfs/dbraw/zinc/13/58/32/981135832.db2.gz ACBJZNYDKNUZQR-JTQLQIEISA-N 1 2 248.286 1.447 20 0 BDADLO Nc1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240216663 981168135 /nfs/dbraw/zinc/16/81/35/981168135.db2.gz KTOHFGYDMYAOOX-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Nc1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219149 981168931 /nfs/dbraw/zinc/16/89/31/981168931.db2.gz CEQSDPKTGYAPMH-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO NC(=O)c1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001240219619 981169692 /nfs/dbraw/zinc/16/96/92/981169692.db2.gz QGFCJTDHAULOCW-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO CC[C@@H]([NH2+]CCOC1CC1)c1noc(C)n1 ZINC001193252097 981279167 /nfs/dbraw/zinc/27/91/67/981279167.db2.gz WYLWCSHBDXHOBH-SNVBAGLBSA-N 1 2 225.292 1.598 20 0 BDADLO Nc1cc(-c2ccc3ncnn3c2)cc[nH+]1 ZINC001240355175 981310621 /nfs/dbraw/zinc/31/06/21/981310621.db2.gz IUGVMDFMSQEWDH-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)CC2(CCC2)O1 ZINC001348225172 981312737 /nfs/dbraw/zinc/31/27/37/981312737.db2.gz OHMMWAIFPPLZRE-VIFPVBQESA-N 1 2 234.303 1.207 20 0 BDADLO C/C(Cl)=C/C(=O)NCCc1[nH+]ccn1C ZINC001348267229 981322263 /nfs/dbraw/zinc/32/22/63/981322263.db2.gz VWNGSNNLBYMNAM-FPLPWBNLSA-N 1 2 227.695 1.221 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001348589669 981403311 /nfs/dbraw/zinc/40/33/11/981403311.db2.gz XPNPNJDGNLTIPO-WDEREUQCSA-N 1 2 233.315 1.267 20 0 BDADLO CNc1cc(N[C@H](C)[C@@H]2CCOC2)[nH+]cn1 ZINC000158788450 981412434 /nfs/dbraw/zinc/41/24/34/981412434.db2.gz SKBSUSCZLNHEII-RKDXNWHRSA-N 1 2 222.292 1.355 20 0 BDADLO CCCCOC(=O)N1CCc2[nH+]ccn2CC1 ZINC001193691918 981412754 /nfs/dbraw/zinc/41/27/54/981412754.db2.gz OHDBURBFJRQNHC-UHFFFAOYSA-N 1 2 237.303 1.678 20 0 BDADLO Nc1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240496572 981418627 /nfs/dbraw/zinc/41/86/27/981418627.db2.gz GCVLRFPBFIMWDI-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO c1cn2ccc(-c3cn4ncnc4cn3)cc2[nH+]1 ZINC001240508533 981430088 /nfs/dbraw/zinc/43/00/88/981430088.db2.gz BJNJPEJZNYEEQY-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO NC(=O)c1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC001240510121 981434042 /nfs/dbraw/zinc/43/40/42/981434042.db2.gz BYZBOKZWVHDUFD-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO Nc1cnc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240509339 981435040 /nfs/dbraw/zinc/43/50/40/981435040.db2.gz WSLHDRJCCBXBKE-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO CN(CC(C)(C)C)C(=O)CCc1[nH+]ccn1C ZINC001348762175 981439528 /nfs/dbraw/zinc/43/95/28/981439528.db2.gz OQTMFDTXJWWPDV-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO CC(C)(C)c1cn(C[C@H](O)Cn2cccn2)c[nH+]1 ZINC001348816113 981449807 /nfs/dbraw/zinc/44/98/07/981449807.db2.gz ZXOJCQKXWMLJSV-NSHDSACASA-N 1 2 248.330 1.438 20 0 BDADLO CNC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC001240569134 981481836 /nfs/dbraw/zinc/48/18/36/981481836.db2.gz ROTSPSVVAYQBJW-UHFFFAOYSA-N 1 2 241.294 1.999 20 0 BDADLO CNC(=O)c1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001240568008 981482705 /nfs/dbraw/zinc/48/27/05/981482705.db2.gz JPKGXFZJYCEVNF-UHFFFAOYSA-N 1 2 241.294 1.999 20 0 BDADLO CNC(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001240568864 981483699 /nfs/dbraw/zinc/48/36/99/981483699.db2.gz QEBFWNZENWVZQJ-UHFFFAOYSA-N 1 2 215.256 1.447 20 0 BDADLO C[C@@H](C(=O)NC1=NC[C@@H](C)S1)n1cc[nH+]c1 ZINC001348979755 981492225 /nfs/dbraw/zinc/49/22/25/981492225.db2.gz ROPCPHLDRWHZSR-SFYZADRCSA-N 1 2 238.316 1.052 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC[C@@H](F)C1)n1cc[nH+]c1 ZINC001349455181 981557230 /nfs/dbraw/zinc/55/72/30/981557230.db2.gz JOKYOKQKUPSJGV-GMTAPVOTSA-N 1 2 239.294 1.841 20 0 BDADLO CCN(C(=O)OCC(C)(C)C)C1C[NH+](C)C1 ZINC001194379074 981810768 /nfs/dbraw/zinc/81/07/68/981810768.db2.gz YYZNQAVNAGFVCF-UHFFFAOYSA-N 1 2 228.336 1.805 20 0 BDADLO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc[nH]1 ZINC001350365306 981943315 /nfs/dbraw/zinc/94/33/15/981943315.db2.gz RCHNKFJROVXTHL-JTQLQIEISA-N 1 2 246.314 1.573 20 0 BDADLO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nnc[nH]1 ZINC001350365306 981943318 /nfs/dbraw/zinc/94/33/18/981943318.db2.gz RCHNKFJROVXTHL-JTQLQIEISA-N 1 2 246.314 1.573 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(CF)CCC1 ZINC001350511162 981991416 /nfs/dbraw/zinc/99/14/16/981991416.db2.gz KXOWWLKBMMZIBQ-UHFFFAOYSA-N 1 2 239.294 1.219 20 0 BDADLO CCNC(=S)NCc1c[nH+]c2ccc(C)cn12 ZINC001195351619 982213067 /nfs/dbraw/zinc/21/30/67/982213067.db2.gz KLIQDVQZBPNCLR-UHFFFAOYSA-N 1 2 248.355 1.627 20 0 BDADLO Cc1cnc2ncc(-c3cc[nH+]c(N)c3)cc2n1 ZINC001241162413 982301244 /nfs/dbraw/zinc/30/12/44/982301244.db2.gz IFFMEZWHCCRPHQ-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Nc1cc(-c2ccc3c(c2)NC(=O)C3)cc[nH+]1 ZINC001241162363 982303761 /nfs/dbraw/zinc/30/37/61/982303761.db2.gz HXGLYDBIQZONCY-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO COc1cccc(N)c1-c1cc[nH+]c(N)c1 ZINC001241169939 982310713 /nfs/dbraw/zinc/31/07/13/982310713.db2.gz RSEVRNXJLAKOSV-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO COC(=O)c1ccc(-c2cc[nH+]c(N)c2)c(C)n1 ZINC001241169776 982314044 /nfs/dbraw/zinc/31/40/44/982314044.db2.gz OXCPGLAJWPIHQW-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1coc(C(=O)NCCOc2cc[nH+]cc2)n1 ZINC001195767347 982345526 /nfs/dbraw/zinc/34/55/26/982345526.db2.gz WYFRHCWDWUCXGD-UHFFFAOYSA-N 1 2 247.254 1.187 20 0 BDADLO C[C@H]1C(=O)CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001351807551 982396442 /nfs/dbraw/zinc/39/64/42/982396442.db2.gz VTCDYJUTXWFFJF-VIFPVBQESA-N 1 2 249.314 1.267 20 0 BDADLO Cc1cncc(CN2CCc3[nH+]ccn3CC2)n1 ZINC001203174830 982405962 /nfs/dbraw/zinc/40/59/62/982405962.db2.gz IAJBGZMIEDDRKJ-UHFFFAOYSA-N 1 2 243.314 1.040 20 0 BDADLO CC(C)COC(=O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000847093092 982407328 /nfs/dbraw/zinc/40/73/28/982407328.db2.gz ISPPPZUEKFERFW-SNVBAGLBSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000847093092 982407332 /nfs/dbraw/zinc/40/73/32/982407332.db2.gz ISPPPZUEKFERFW-SNVBAGLBSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)C1(CO)CC1 ZINC001352063432 982452629 /nfs/dbraw/zinc/45/26/29/982452629.db2.gz AFBKNPBSYLPGCL-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)C1(CO)CC1 ZINC001352063432 982452642 /nfs/dbraw/zinc/45/26/42/982452642.db2.gz AFBKNPBSYLPGCL-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC001352081497 982455745 /nfs/dbraw/zinc/45/57/45/982455745.db2.gz OTKOVCSSFJJTHV-GXSJLCMTSA-N 1 2 243.314 1.987 20 0 BDADLO CCOc1ccc[nH+]c1N[C@H](CC)CO ZINC000160203567 982518194 /nfs/dbraw/zinc/51/81/94/982518194.db2.gz UEBRYIJNPOAFGB-SECBINFHSA-N 1 2 210.277 1.663 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCCC1CC1 ZINC001352402101 982520226 /nfs/dbraw/zinc/52/02/26/982520226.db2.gz RSVQLNIPNBYGNG-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)CCc1[nH+]ccn1C ZINC001352423359 982521749 /nfs/dbraw/zinc/52/17/49/982521749.db2.gz KFMJXQDOPUIBNV-LLVKDONJSA-N 1 2 237.347 2.000 20 0 BDADLO O=C(Nc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001197765818 982583613 /nfs/dbraw/zinc/58/36/13/982583613.db2.gz JAWWGSUODRXTDR-NSHDSACASA-N 1 2 242.282 1.630 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2Cc3cn[nH]c3C[C@@H](C)C2)O1 ZINC001197787024 982591322 /nfs/dbraw/zinc/59/13/22/982591322.db2.gz TWTWKHYISVHSKJ-MDZLAQPJSA-N 1 2 249.358 1.971 20 0 BDADLO Nc1nnc(C2CC[NH+](Cc3ccon3)CC2)o1 ZINC001352898470 982630325 /nfs/dbraw/zinc/63/03/25/982630325.db2.gz JIPDKMIMZFLBOS-UHFFFAOYSA-N 1 2 249.274 1.019 20 0 BDADLO Cc1cncc(C[NH+]2CC3(CSC3)C2)n1 ZINC001203176927 982639885 /nfs/dbraw/zinc/63/98/85/982639885.db2.gz KYNGWEOIQVAGRS-UHFFFAOYSA-N 1 2 221.329 1.334 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cncs2)cc1 ZINC001241500400 982660816 /nfs/dbraw/zinc/66/08/16/982660816.db2.gz AVXGAHNGLNQWIZ-LLVKDONJSA-N 1 2 248.307 1.983 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cncs2)cc1 ZINC001241500401 982661231 /nfs/dbraw/zinc/66/12/31/982661231.db2.gz AVXGAHNGLNQWIZ-NSHDSACASA-N 1 2 248.307 1.983 20 0 BDADLO C=CS(=O)(=O)Nc1c[nH+]c2ccccn12 ZINC001198569984 982764731 /nfs/dbraw/zinc/76/47/31/982764731.db2.gz PZKCKWAAAOHVHM-UHFFFAOYSA-N 1 2 223.257 1.220 20 0 BDADLO Sc1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241602891 982843699 /nfs/dbraw/zinc/84/36/99/982843699.db2.gz OQZXYUPHUWVXLV-UHFFFAOYSA-N 1 2 231.324 1.983 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCCC[C@H]21 ZINC001300336089 982884579 /nfs/dbraw/zinc/88/45/79/982884579.db2.gz VRMGUJWMBCILNR-MWLCHTKSSA-N 1 2 219.288 1.353 20 0 BDADLO Cc1nc(N)ncc1-c1ccc2[nH+]ccn2c1 ZINC001241644866 982885635 /nfs/dbraw/zinc/88/56/35/982885635.db2.gz UKYLZMGNWSBQHK-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(-c2cccc(=O)[nH]2)no1 ZINC001353621820 982934025 /nfs/dbraw/zinc/93/40/25/982934025.db2.gz KJDDXKUQUNSUQE-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(-c2cccc(=O)[nH]2)no1 ZINC001353621820 982934046 /nfs/dbraw/zinc/93/40/46/982934046.db2.gz KJDDXKUQUNSUQE-UHFFFAOYSA-N 1 2 248.286 1.677 20 0 BDADLO CC[C@H](C(=O)Nc1nnc(C(C)C)[nH]1)[NH+](C)C ZINC000161080996 982937813 /nfs/dbraw/zinc/93/78/13/982937813.db2.gz ZTQFLTCAIXSINF-MRVPVSSYSA-N 1 2 239.323 1.207 20 0 BDADLO COc1ccc(-c2ccc[nH+]c2N)cc1CO ZINC001241928337 983144049 /nfs/dbraw/zinc/14/40/49/983144049.db2.gz BLBSDZNBAITMOB-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO C[C@H](O)c1ccnc(Nc2ccc(N)[nH+]c2)c1 ZINC001201279657 983156692 /nfs/dbraw/zinc/15/66/92/983156692.db2.gz RRZPECQHTOIRCP-QMMMGPOBSA-N 1 2 230.271 1.856 20 0 BDADLO Nc1ccc(Nc2ccc3c(c2)CNC3=O)c[nH+]1 ZINC001201287170 983166897 /nfs/dbraw/zinc/16/68/97/983166897.db2.gz XBMSWUZFJBQHAH-UHFFFAOYSA-N 1 2 240.266 1.651 20 0 BDADLO Cc1cnc(C)c(Nc2ccc(N)[nH+]c2)n1 ZINC001201272479 983171418 /nfs/dbraw/zinc/17/14/18/983171418.db2.gz OURDJBGIIKQSMW-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CN(c1ccc(N)[nH+]c1)c1ncccc1N ZINC001201272477 983172493 /nfs/dbraw/zinc/17/24/93/983172493.db2.gz OTSSLMORKSLIDC-UHFFFAOYSA-N 1 2 215.260 1.409 20 0 BDADLO CCn1ncc(Nc2ccc(N)[nH+]c2)c1C ZINC001201272768 983173659 /nfs/dbraw/zinc/17/36/59/983173659.db2.gz USQHNALKIXEEQA-UHFFFAOYSA-N 1 2 217.276 1.932 20 0 BDADLO Cc1nc(SCc2[nH]c(C)[nH+]c2C)n[nH]1 ZINC001354150081 983174045 /nfs/dbraw/zinc/17/40/45/983174045.db2.gz XKNSOVKYYAVRFM-UHFFFAOYSA-N 1 2 223.305 1.745 20 0 BDADLO Cc1cc(Nc2ccc(N)[nH+]c2)n2ncnc2n1 ZINC001201272122 983174419 /nfs/dbraw/zinc/17/44/19/983174419.db2.gz JIOADYWIZNKEES-UHFFFAOYSA-N 1 2 241.258 1.154 20 0 BDADLO Cc1nccnc1Nc1ccc(N)[nH+]c1 ZINC001201272978 983175279 /nfs/dbraw/zinc/17/52/79/983175279.db2.gz XRUYERHJHSFEFI-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO Cc1ncc(Nc2ccc(N)[nH+]c2)nc1C ZINC001201276052 983176589 /nfs/dbraw/zinc/17/65/89/983176589.db2.gz POAYSVDOGHULLC-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO COC(=O)c1onc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201278144 983177219 /nfs/dbraw/zinc/17/72/19/983177219.db2.gz BSSNGMAPMHBRIQ-UHFFFAOYSA-N 1 2 248.242 1.490 20 0 BDADLO Nc1cnc(Cl)c(Nc2ccc(N)[nH+]c2)n1 ZINC001201278407 983179449 /nfs/dbraw/zinc/17/94/49/983179449.db2.gz IRCTWGJTJJKOSD-UHFFFAOYSA-N 1 2 236.666 1.433 20 0 BDADLO CNC(=S)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001200595991 983198281 /nfs/dbraw/zinc/19/82/81/983198281.db2.gz MDMBWSFDPLGNRO-UHFFFAOYSA-N 1 2 232.312 1.789 20 0 BDADLO O=C1C[C@H](c2cccc(-c3[nH]cc[nH+]3)c2)CN1 ZINC001242015927 983215260 /nfs/dbraw/zinc/21/52/60/983215260.db2.gz RLYWWYMWPWCPLX-NSHDSACASA-N 1 2 227.267 1.680 20 0 BDADLO c1c[nH+]c(-c2ccc3c(c2)OCCN3)[nH]1 ZINC001242018299 983221052 /nfs/dbraw/zinc/22/10/52/983221052.db2.gz CPCXLFZOYSYDRV-UHFFFAOYSA-N 1 2 201.229 1.881 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@H+](C[C@H]1CC=CCC1)C2 ZINC001201427970 983227315 /nfs/dbraw/zinc/22/73/15/983227315.db2.gz OKOBKHUFRVJKHX-DCAQKATOSA-N 1 2 207.273 1.342 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201427970 983227321 /nfs/dbraw/zinc/22/73/21/983227321.db2.gz OKOBKHUFRVJKHX-DCAQKATOSA-N 1 2 207.273 1.342 20 0 BDADLO CCc1nccc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001354265831 983238502 /nfs/dbraw/zinc/23/85/02/983238502.db2.gz CVOWKCFXZZKNTJ-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO Nc1cn2ccc(C3=CCOCC3)cc2[nH+]1 ZINC001242074515 983316252 /nfs/dbraw/zinc/31/62/52/983316252.db2.gz FTDQWFXSHFPZGU-UHFFFAOYSA-N 1 2 215.256 1.720 20 0 BDADLO CC(C)[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC001354535344 983320172 /nfs/dbraw/zinc/32/01/72/983320172.db2.gz KTMKAZPRPVVGBM-JTQLQIEISA-N 1 2 236.319 1.480 20 0 BDADLO CC(C)[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC001354535344 983320182 /nfs/dbraw/zinc/32/01/82/983320182.db2.gz KTMKAZPRPVVGBM-JTQLQIEISA-N 1 2 236.319 1.480 20 0 BDADLO CCC[C@@H](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001354608545 983332506 /nfs/dbraw/zinc/33/25/06/983332506.db2.gz XGCZUZFPOLXVLT-RKDXNWHRSA-N 1 2 236.306 1.911 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cnc(F)cn1 ZINC001242090666 983337914 /nfs/dbraw/zinc/33/79/14/983337914.db2.gz YJRCTSBSFWJYMQ-UHFFFAOYSA-N 1 2 204.208 1.568 20 0 BDADLO Cc1nc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc[nH+]1 ZINC001472830652 983350329 /nfs/dbraw/zinc/35/03/29/983350329.db2.gz HUJWVIQENPJFKJ-GRYCIOLGSA-N 1 2 233.315 1.382 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]2CO)cc1 ZINC001355063226 983405864 /nfs/dbraw/zinc/40/58/64/983405864.db2.gz YWVKWCMYILVTBM-LBPRGKRZSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H]2CO)cc1 ZINC001355063226 983405866 /nfs/dbraw/zinc/40/58/66/983405866.db2.gz YWVKWCMYILVTBM-LBPRGKRZSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)o1 ZINC001355113417 983418503 /nfs/dbraw/zinc/41/85/03/983418503.db2.gz ANLTWPAIPGXOHT-LLVKDONJSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)o1 ZINC001355113417 983418513 /nfs/dbraw/zinc/41/85/13/983418513.db2.gz ANLTWPAIPGXOHT-LLVKDONJSA-N 1 2 249.314 1.938 20 0 BDADLO O[C@]1(C2CC2)CCN(c2nccn3c[nH+]cc23)C1 ZINC001355281199 983457849 /nfs/dbraw/zinc/45/78/49/983457849.db2.gz WAAARVQYTMWQRR-CYBMUJFWSA-N 1 2 244.298 1.081 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1CC1CC1 ZINC001201875766 983498408 /nfs/dbraw/zinc/49/84/08/983498408.db2.gz HLZKSJGRZCWBMD-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@H+]1CC1CC1 ZINC001201875766 983498415 /nfs/dbraw/zinc/49/84/15/983498415.db2.gz HLZKSJGRZCWBMD-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO CCOc1ccccc1NC(=O)NC1C[NH+](C)C1 ZINC001202149145 983572987 /nfs/dbraw/zinc/57/29/87/983572987.db2.gz XXSGTQKGSPFLGF-UHFFFAOYSA-N 1 2 249.314 1.521 20 0 BDADLO COC(=O)CCC[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001202207385 983597062 /nfs/dbraw/zinc/59/70/62/983597062.db2.gz SKJKPTGONJTDKU-QMMMGPOBSA-N 1 2 239.237 1.619 20 0 BDADLO COC(=O)CCC[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001202207385 983597073 /nfs/dbraw/zinc/59/70/73/983597073.db2.gz SKJKPTGONJTDKU-QMMMGPOBSA-N 1 2 239.237 1.619 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2cccc(Cl)c2)C1 ZINC001202249603 983605578 /nfs/dbraw/zinc/60/55/78/983605578.db2.gz UWHRMGYWTKTRIL-UHFFFAOYSA-N 1 2 239.706 1.776 20 0 BDADLO CC(=O)N(C)C1C[NH+](CCCC(F)(F)F)C1 ZINC001202424968 983655043 /nfs/dbraw/zinc/65/50/43/983655043.db2.gz QNDRNPCCHDZALT-UHFFFAOYSA-N 1 2 238.253 1.491 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1CCCC(F)(F)F ZINC001202441363 983657768 /nfs/dbraw/zinc/65/77/68/983657768.db2.gz CAKAFIAKLKXYGK-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO COC[C@@H]1COCC[N@H+]1CCCC(F)(F)F ZINC001202441363 983657782 /nfs/dbraw/zinc/65/77/82/983657782.db2.gz CAKAFIAKLKXYGK-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO Cn1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)n1 ZINC001242458445 983767004 /nfs/dbraw/zinc/76/70/04/983767004.db2.gz LPRFJHLRGHNJSA-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000794648525 983839522 /nfs/dbraw/zinc/83/95/22/983839522.db2.gz BDAMADABPKRRGU-NSHDSACASA-N 1 2 243.738 1.995 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000794648525 983839523 /nfs/dbraw/zinc/83/95/23/983839523.db2.gz BDAMADABPKRRGU-NSHDSACASA-N 1 2 243.738 1.995 20 0 BDADLO c1cc(N2CCCC2)oc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001137067841 983898127 /nfs/dbraw/zinc/89/81/27/983898127.db2.gz KEYXVDNWXIOTPT-AAEUAGOBSA-N 1 2 248.326 1.853 20 0 BDADLO c1cc(N2CCCC2)oc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001137067841 983898129 /nfs/dbraw/zinc/89/81/29/983898129.db2.gz KEYXVDNWXIOTPT-AAEUAGOBSA-N 1 2 248.326 1.853 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3nccnc3c2)C[C@@H]1F ZINC001137084300 983931731 /nfs/dbraw/zinc/93/17/31/983931731.db2.gz GPJZPQCTCNLQGO-GXFFZTMASA-N 1 2 247.273 1.144 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3nccnc3c2)C[C@@H]1F ZINC001137084300 983931743 /nfs/dbraw/zinc/93/17/43/983931743.db2.gz GPJZPQCTCNLQGO-GXFFZTMASA-N 1 2 247.273 1.144 20 0 BDADLO Oc1ccccc1CC[NH+]1CCOCC1 ZINC000149450311 983939637 /nfs/dbraw/zinc/93/96/37/983939637.db2.gz RMKVTTUUCLEIKZ-UHFFFAOYSA-N 1 2 207.273 1.267 20 0 BDADLO CCNC(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001202557514 984056395 /nfs/dbraw/zinc/05/63/95/984056395.db2.gz DYVXJXRGQCBYKT-UHFFFAOYSA-N 1 2 236.250 1.293 20 0 BDADLO COC(C)(C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001545734848 984129694 /nfs/dbraw/zinc/12/96/94/984129694.db2.gz AXEABZZNFLPKHL-UHFFFAOYSA-N 1 2 239.319 1.144 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCn3nccc3C2)c1 ZINC001204011279 984173849 /nfs/dbraw/zinc/17/38/49/984173849.db2.gz ZAMZKZVLIICUGY-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO c1c[nH]c(C[N@H+]2CCn3nccc3C2)c1 ZINC001204011279 984173853 /nfs/dbraw/zinc/17/38/53/984173853.db2.gz ZAMZKZVLIICUGY-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnccc1Cl ZINC001137240414 984204664 /nfs/dbraw/zinc/20/46/64/984204664.db2.gz COADFYNOLFMFKH-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnccc1Cl ZINC001137240414 984204673 /nfs/dbraw/zinc/20/46/73/984204673.db2.gz COADFYNOLFMFKH-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000380051040 984308241 /nfs/dbraw/zinc/30/82/41/984308241.db2.gz WYIMQLGWMJSNNB-UWVGGRQHSA-N 1 2 207.277 1.188 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001436620086 984335247 /nfs/dbraw/zinc/33/52/47/984335247.db2.gz RESROORNALXFLF-IJLUTSLNSA-N 1 2 247.342 1.515 20 0 BDADLO Cc1nc2cc(-c3c[nH+]cn3C)ccn2n1 ZINC001243066903 984476721 /nfs/dbraw/zinc/47/67/21/984476721.db2.gz CVOCDXPAGPALSQ-UHFFFAOYSA-N 1 2 213.244 1.438 20 0 BDADLO COC(=O)c1cc(OC)ccc1-c1c[nH+]cn1C ZINC001243067001 984480066 /nfs/dbraw/zinc/48/00/66/984480066.db2.gz GAQQMSCTYZLGTF-UHFFFAOYSA-N 1 2 246.266 1.882 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(=O)N(C)C2 ZINC001243067355 984481910 /nfs/dbraw/zinc/48/19/10/984481910.db2.gz JTPLAGYTKAXXKY-UHFFFAOYSA-N 1 2 227.267 1.673 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CNC(=O)N2 ZINC001243067735 984484446 /nfs/dbraw/zinc/48/44/46/984484446.db2.gz OKFMVTAKCNMHRT-UHFFFAOYSA-N 1 2 228.255 1.722 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)cc(C)n1 ZINC001545942206 984485052 /nfs/dbraw/zinc/48/50/52/984485052.db2.gz NKVSRLDHZSXULW-UHFFFAOYSA-N 1 2 244.298 1.911 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2oc(C(N)=O)cc2c1 ZINC001243067760 984485053 /nfs/dbraw/zinc/48/50/53/984485053.db2.gz PFOMDTQAYFPANT-UHFFFAOYSA-N 1 2 241.250 1.932 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CC(=O)N2C ZINC001243069731 984491868 /nfs/dbraw/zinc/49/18/68/984491868.db2.gz XUWWAPIHKRSBPW-UHFFFAOYSA-N 1 2 227.267 1.606 20 0 BDADLO COc1ccc(-c2c[nH+]cn2C)c(C(N)=O)c1 ZINC001243070407 984493831 /nfs/dbraw/zinc/49/38/31/984493831.db2.gz VGRCLNMKTINDQG-UHFFFAOYSA-N 1 2 231.255 1.195 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@H](O)c1ccccc1 ZINC000718905573 984564472 /nfs/dbraw/zinc/56/44/72/984564472.db2.gz PVTJKESENWDZEY-ZDUSSCGKSA-N 1 2 243.310 1.642 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@H](O)c1ccccc1 ZINC000718905573 984564485 /nfs/dbraw/zinc/56/44/85/984564485.db2.gz PVTJKESENWDZEY-ZDUSSCGKSA-N 1 2 243.310 1.642 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2COCc3ccccc32)c1 ZINC001308439979 984580959 /nfs/dbraw/zinc/58/09/59/984580959.db2.gz ACPWVJDFAKAKPL-AWEZNQCLSA-N 1 2 243.310 1.781 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(O)cc1C ZINC001446460393 984659953 /nfs/dbraw/zinc/65/99/53/984659953.db2.gz POWHIVKNWLGHAL-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO Cc1ccc(F)c(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001275966935 984754744 /nfs/dbraw/zinc/75/47/44/984754744.db2.gz IQMPMKLTWJKXNA-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO Cc1ccc(F)c(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001275966935 984754756 /nfs/dbraw/zinc/75/47/56/984754756.db2.gz IQMPMKLTWJKXNA-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO O=C(/C=C\c1ccco1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001449966167 984854169 /nfs/dbraw/zinc/85/41/69/984854169.db2.gz DXJHEAIAVSCWIF-XOULXFPDSA-N 1 2 243.266 1.230 20 0 BDADLO CCC1(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001449997847 984855426 /nfs/dbraw/zinc/85/54/26/984855426.db2.gz MTNTTXAOPCVCIG-UHFFFAOYSA-N 1 2 207.277 1.021 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110903775 984867884 /nfs/dbraw/zinc/86/78/84/984867884.db2.gz UUWSUZCXEOQZKV-YTWAJWBKSA-N 1 2 246.301 1.426 20 0 BDADLO CC[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110903775 984867886 /nfs/dbraw/zinc/86/78/86/984867886.db2.gz UUWSUZCXEOQZKV-YTWAJWBKSA-N 1 2 246.301 1.426 20 0 BDADLO Cc1cc(CN2C(=O)CN(C)C2=O)cc(C)[nH+]1 ZINC000927529433 984887240 /nfs/dbraw/zinc/88/72/40/984887240.db2.gz FKXYMYNEBHRLRB-UHFFFAOYSA-N 1 2 233.271 1.092 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2ccc(N)nn2)o1 ZINC001578289687 984937262 /nfs/dbraw/zinc/93/72/62/984937262.db2.gz BDJCSDWMSVZETE-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257417092 984971888 /nfs/dbraw/zinc/97/18/88/984971888.db2.gz XAEIQTGEEGYLEL-WCQYABFASA-N 1 2 243.347 1.877 20 0 BDADLO COc1cc(-c2ccc[nH+]c2N)cnc1F ZINC001243473271 984980200 /nfs/dbraw/zinc/98/02/00/984980200.db2.gz JNORJJQWVWCDBW-UHFFFAOYSA-N 1 2 219.219 1.874 20 0 BDADLO COc1cnc(F)cc1-c1ccc[nH+]c1N ZINC001243472959 985019029 /nfs/dbraw/zinc/01/90/29/985019029.db2.gz PXMLUIDGZFAZOE-UHFFFAOYSA-N 1 2 219.219 1.874 20 0 BDADLO NC(=O)c1ccc(-c2ccc[nH+]c2N)cc1F ZINC001243473693 985022382 /nfs/dbraw/zinc/02/23/82/985022382.db2.gz OIATYLFYTLVRHW-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2c(c1)NC(=O)CO2 ZINC001243474497 985033551 /nfs/dbraw/zinc/03/35/51/985033551.db2.gz MRWYCUINHIBDSE-UHFFFAOYSA-N 1 2 242.238 1.057 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1F ZINC001454524058 985037371 /nfs/dbraw/zinc/03/73/71/985037371.db2.gz YSXASTWURVGHHQ-WDEREUQCSA-N 1 2 239.294 1.670 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@@H]1F ZINC001454516367 985041011 /nfs/dbraw/zinc/04/10/11/985041011.db2.gz XFDOMIYQWZNBHU-VHSXEESVSA-N 1 2 239.294 1.739 20 0 BDADLO C[C@H](O)c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000686081244 985067382 /nfs/dbraw/zinc/06/73/82/985067382.db2.gz QBIQSZPBQALALB-JTQLQIEISA-N 1 2 232.287 1.444 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CC23CC3)c[nH+]1 ZINC001456141895 985114517 /nfs/dbraw/zinc/11/45/17/985114517.db2.gz BVKNAHMKMNRVKT-SECBINFHSA-N 1 2 219.288 1.388 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CC23CC3)[nH+]1 ZINC001456141895 985114525 /nfs/dbraw/zinc/11/45/25/985114525.db2.gz BVKNAHMKMNRVKT-SECBINFHSA-N 1 2 219.288 1.388 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cc(F)c[nH]2)c[nH+]1 ZINC001456144828 985116318 /nfs/dbraw/zinc/11/63/18/985116318.db2.gz PSLPVNLDCQUCMS-UHFFFAOYSA-N 1 2 236.250 1.369 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cc(F)c[nH]2)[nH+]1 ZINC001456144828 985116327 /nfs/dbraw/zinc/11/63/27/985116327.db2.gz PSLPVNLDCQUCMS-UHFFFAOYSA-N 1 2 236.250 1.369 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NCc2ccc(N)[nH+]c2)[C@@H](C)O1 ZINC000686427158 985116531 /nfs/dbraw/zinc/11/65/31/985116531.db2.gz OLIKIAWEBOGWMS-KKZNHRDASA-N 1 2 249.314 1.094 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccc(C)nn2)c[nH+]1 ZINC001456144893 985118741 /nfs/dbraw/zinc/11/87/41/985118741.db2.gz QGEHHSMCKCAFII-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccc(C)nn2)[nH+]1 ZINC001456144893 985118751 /nfs/dbraw/zinc/11/87/51/985118751.db2.gz QGEHHSMCKCAFII-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2conc2C)cc1 ZINC001243678030 985184777 /nfs/dbraw/zinc/18/47/77/985184777.db2.gz OARVISGXDYRVSU-GFCCVEGCSA-N 1 2 246.266 1.823 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccsn1 ZINC001457510052 985218988 /nfs/dbraw/zinc/21/89/88/985218988.db2.gz NDGYTRQIFKBYBO-UHFFFAOYSA-N 1 2 248.311 1.380 20 0 BDADLO CNc1cc(N2C[C@H](OC)CC[C@@H]2C)nc[nH+]1 ZINC000687215810 985269070 /nfs/dbraw/zinc/26/90/70/985269070.db2.gz DSPCOAUXJURQTL-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2C[C@H](OC)CC[C@@H]2C)[nH+]cn1 ZINC000687215810 985269086 /nfs/dbraw/zinc/26/90/86/985269086.db2.gz DSPCOAUXJURQTL-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO CCc1cc(N2CCn3nccc3C2)nc(C)[nH+]1 ZINC001458504933 985321000 /nfs/dbraw/zinc/32/10/00/985321000.db2.gz POBLUCWCARNJET-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO CCc1[nH]c(CNc2ncnc(C)c2C)c[nH+]1 ZINC001458653591 985341378 /nfs/dbraw/zinc/34/13/78/985341378.db2.gz GZEPACJAONRWMY-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO CCc1[nH]cc(CNc2ncnc(C)c2C)[nH+]1 ZINC001458653591 985341388 /nfs/dbraw/zinc/34/13/88/985341388.db2.gz GZEPACJAONRWMY-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO CCc1cn(Cc2cnc(C)nc2)c[nH+]1 ZINC001459258035 985418378 /nfs/dbraw/zinc/41/83/78/985418378.db2.gz FBMMGEDMHOMFIH-UHFFFAOYSA-N 1 2 202.261 1.592 20 0 BDADLO Cc1c(-c2cnc(N)nc2)ccc2[nH+]ccn21 ZINC001243878635 985554377 /nfs/dbraw/zinc/55/43/77/985554377.db2.gz XJQFTKISXWPYCM-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1ccnc(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000692138605 985572293 /nfs/dbraw/zinc/57/22/93/985572293.db2.gz KQSDJTCLDWEJAK-JTQLQIEISA-N 1 2 221.304 1.130 20 0 BDADLO Cc1ccnc(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000692138605 985572310 /nfs/dbraw/zinc/57/23/10/985572310.db2.gz KQSDJTCLDWEJAK-JTQLQIEISA-N 1 2 221.304 1.130 20 0 BDADLO CS(=O)(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001459687700 985583512 /nfs/dbraw/zinc/58/35/12/985583512.db2.gz UDKLGKNORPDVDG-UHFFFAOYSA-N 1 2 236.296 1.335 20 0 BDADLO COC(=O)C1([NH2+][C@H](C)CCSC)CC1 ZINC001258199155 985602648 /nfs/dbraw/zinc/60/26/48/985602648.db2.gz UVMLGJZKDSXAAN-MRVPVSSYSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1nc(N[C@@H]2COC3(CCC3)C2)cc[nH+]1 ZINC000688318424 985609840 /nfs/dbraw/zinc/60/98/40/985609840.db2.gz FEHOMIVTEOYLSR-JTQLQIEISA-N 1 2 219.288 1.909 20 0 BDADLO COC(=O)c1cnc(C2=C[NH2+]CCC2)cc1OC ZINC001243948173 985629864 /nfs/dbraw/zinc/62/98/64/985629864.db2.gz WTKKDGVWMADYLL-UHFFFAOYSA-N 1 2 248.282 1.601 20 0 BDADLO COC(=O)c1cnc(C2=C[NH2+]CCC2)cc1F ZINC001243950264 985644347 /nfs/dbraw/zinc/64/43/47/985644347.db2.gz VOPJOAXFSKGGGO-UHFFFAOYSA-N 1 2 236.246 1.732 20 0 BDADLO COc1ccnc(F)c1C1=C[NH2+]CCC1 ZINC001243954608 985667923 /nfs/dbraw/zinc/66/79/23/985667923.db2.gz WBGCXMQIVXTVHQ-UHFFFAOYSA-N 1 2 208.236 1.954 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258274722 985782632 /nfs/dbraw/zinc/78/26/32/985782632.db2.gz VBCULBUEXHLACW-VHSXEESVSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)n1 ZINC001460224360 985808867 /nfs/dbraw/zinc/80/88/67/985808867.db2.gz QHMWQQACOXSWFB-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO CCCCC(CCCC)[NH2+][C@H](CO)C(=O)OC ZINC001258378821 985859576 /nfs/dbraw/zinc/85/95/76/985859576.db2.gz RURVXRDVXHUNRT-GFCCVEGCSA-N 1 2 245.363 1.859 20 0 BDADLO C[N@H+](CCOC1CC1)Cc1ncccn1 ZINC001460687543 985876500 /nfs/dbraw/zinc/87/65/00/985876500.db2.gz OMURAXVFEGOLFK-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO C[N@@H+](CCOC1CC1)Cc1ncccn1 ZINC001460687543 985876506 /nfs/dbraw/zinc/87/65/06/985876506.db2.gz OMURAXVFEGOLFK-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001327719068 985910775 /nfs/dbraw/zinc/91/07/75/985910775.db2.gz BGNGIKUXLUHOEV-RYUDHWBXSA-N 1 2 247.342 1.991 20 0 BDADLO NC(=O)Nc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC001461023265 986001337 /nfs/dbraw/zinc/00/13/37/986001337.db2.gz SXFBXZZGWSHHQC-UHFFFAOYSA-N 1 2 245.286 1.190 20 0 BDADLO CCCn1c[nH+]cc1CNc1cnnn1C ZINC001461819908 986182387 /nfs/dbraw/zinc/18/23/87/986182387.db2.gz JVTCQHUYCIJMHS-UHFFFAOYSA-N 1 2 220.280 1.034 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037988192 986239714 /nfs/dbraw/zinc/23/97/14/986239714.db2.gz YLHOUOOUESGZPT-GFCCVEGCSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1nocc1C[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037988192 986239725 /nfs/dbraw/zinc/23/97/25/986239725.db2.gz YLHOUOOUESGZPT-GFCCVEGCSA-N 1 2 249.314 1.084 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1cnc(C)cn1 ZINC001037988378 986239844 /nfs/dbraw/zinc/23/98/44/986239844.db2.gz VJHIYUUUCAKDDJ-JQWIXIFHSA-N 1 2 248.330 1.056 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1cnc(C)cn1 ZINC001037988378 986239857 /nfs/dbraw/zinc/23/98/57/986239857.db2.gz VJHIYUUUCAKDDJ-JQWIXIFHSA-N 1 2 248.330 1.056 20 0 BDADLO COc1nc(C[N@H+](C)Cc2cn[nH]c2)ccc1C ZINC001461944304 986243572 /nfs/dbraw/zinc/24/35/72/986243572.db2.gz XEASMPTVTJZEKZ-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1nc(C[N@@H+](C)Cc2cn[nH]c2)ccc1C ZINC001461944304 986243582 /nfs/dbraw/zinc/24/35/82/986243582.db2.gz XEASMPTVTJZEKZ-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO CC[C@H]1CN(c2cc(NC)[nH+]cn2)C[C@H](C)O1 ZINC000689161161 986358005 /nfs/dbraw/zinc/35/80/05/986358005.db2.gz QLAUXNIQQIJJCZ-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO CC[C@H]1CN(c2cc(NC)nc[nH+]2)C[C@H](C)O1 ZINC000689161161 986358017 /nfs/dbraw/zinc/35/80/17/986358017.db2.gz QLAUXNIQQIJJCZ-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO CCCNC(=S)Nc1cc[nH+]c(CC)c1 ZINC001244847826 986397282 /nfs/dbraw/zinc/39/72/82/986397282.db2.gz XTVDUYDLSURZRF-UHFFFAOYSA-N 1 2 223.345 1.762 20 0 BDADLO BrC1(C[NH2+]Cc2csnn2)CC1 ZINC001462623543 986457124 /nfs/dbraw/zinc/45/71/24/986457124.db2.gz NUHWDZYNTOMZJA-UHFFFAOYSA-N 1 2 248.149 1.555 20 0 BDADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001096701492 986475557 /nfs/dbraw/zinc/47/55/57/986475557.db2.gz GUJQCQMKHTVSGN-WZRBSPASSA-N 1 2 249.314 1.224 20 0 BDADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001096701492 986475587 /nfs/dbraw/zinc/47/55/87/986475587.db2.gz GUJQCQMKHTVSGN-WZRBSPASSA-N 1 2 249.314 1.224 20 0 BDADLO CCCNC(=S)NCc1ccc2[nH+]ccn2c1 ZINC001244925970 986481326 /nfs/dbraw/zinc/48/13/26/986481326.db2.gz YPEJJOHXSCOOEK-UHFFFAOYSA-N 1 2 248.355 1.708 20 0 BDADLO CCc1ccc(N2C[C@@H](CO)OC[C@@H]2C)[nH+]c1 ZINC001262687753 986595528 /nfs/dbraw/zinc/59/55/28/986595528.db2.gz WCNHSHBJZLLJBE-JQWIXIFHSA-N 1 2 236.315 1.230 20 0 BDADLO CSCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001465282275 986701297 /nfs/dbraw/zinc/70/12/97/986701297.db2.gz OURBQDJBCDIEIW-MRVPVSSYSA-N 1 2 241.360 1.518 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC001465604189 986727995 /nfs/dbraw/zinc/72/79/95/986727995.db2.gz FHIVFSJAYUMEHR-PSASIEDQSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CC4(CCO4)C3)n2c1 ZINC001137310458 986742116 /nfs/dbraw/zinc/74/21/16/986742116.db2.gz YRKMWGKUNBICJF-UHFFFAOYSA-N 1 2 243.310 1.617 20 0 BDADLO Cc1ccc2[nH+]cc(CN(C)C3(C)COC3)n2c1 ZINC001137310328 986743117 /nfs/dbraw/zinc/74/31/17/986743117.db2.gz QNEJSGDEPMVCDB-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccc2ncc(C[N@@H+](C)C3(C)COC3)n2c1 ZINC001137310328 986743133 /nfs/dbraw/zinc/74/31/33/986743133.db2.gz QNEJSGDEPMVCDB-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccc2ncc(C[N@H+](C)C3(C)COC3)n2c1 ZINC001137310328 986743147 /nfs/dbraw/zinc/74/31/47/986743147.db2.gz QNEJSGDEPMVCDB-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO COCn1cc(-c2c[nH+]c(N(C)C)cc2C)cn1 ZINC001245220653 986744576 /nfs/dbraw/zinc/74/45/76/986744576.db2.gz LAZWNJGISFVLRK-UHFFFAOYSA-N 1 2 246.314 1.923 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)[nH]1 ZINC001137329554 986783716 /nfs/dbraw/zinc/78/37/16/986783716.db2.gz FHLTUKOSUSFQLY-LLVKDONJSA-N 1 2 249.314 1.268 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)[nH]1 ZINC001137329554 986783726 /nfs/dbraw/zinc/78/37/26/986783726.db2.gz FHLTUKOSUSFQLY-LLVKDONJSA-N 1 2 249.314 1.268 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)[nH]1 ZINC001137329839 986792375 /nfs/dbraw/zinc/79/23/75/986792375.db2.gz REAYRTBJLAACSC-NSHDSACASA-N 1 2 235.331 1.294 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCN(C)C(=O)[C@@H]2C)[nH]1 ZINC001137329839 986792391 /nfs/dbraw/zinc/79/23/91/986792391.db2.gz REAYRTBJLAACSC-NSHDSACASA-N 1 2 235.331 1.294 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1[nH]c(C)cc1C ZINC001137332360 986800044 /nfs/dbraw/zinc/80/00/44/986800044.db2.gz QXPJWQDTWIWXCY-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1[nH]c(C)cc1C ZINC001137332360 986800047 /nfs/dbraw/zinc/80/00/47/986800047.db2.gz QXPJWQDTWIWXCY-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO Nc1cccc(F)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001580456860 986855962 /nfs/dbraw/zinc/85/59/62/986855962.db2.gz FFMPGLCXZKPIBX-UHFFFAOYSA-N 1 2 234.234 1.312 20 0 BDADLO COC(=O)C[N@H+](C)Cc1c[nH]c2ncccc12 ZINC001137404441 986882046 /nfs/dbraw/zinc/88/20/46/986882046.db2.gz JKEQTGOUVBPFJO-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1c[nH]c2ncccc12 ZINC001137404441 986882048 /nfs/dbraw/zinc/88/20/48/986882048.db2.gz JKEQTGOUVBPFJO-UHFFFAOYSA-N 1 2 233.271 1.168 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cncnc2)ccn1 ZINC001137420256 986890055 /nfs/dbraw/zinc/89/00/55/986890055.db2.gz VPBWFVYAWAICGO-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cncnc2)ccn1 ZINC001137420256 986890058 /nfs/dbraw/zinc/89/00/58/986890058.db2.gz VPBWFVYAWAICGO-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(-c2ccc3nc[nH]c3n2)c[nH+]c1N ZINC001245535930 986913741 /nfs/dbraw/zinc/91/37/41/986913741.db2.gz IFGRYECGAPUPST-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cc1nccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245536596 986915978 /nfs/dbraw/zinc/91/59/78/986915978.db2.gz ULUDAVCRZOZPJZ-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO Cc1nnc2cc(-c3c[nH+]c(N)c(C)c3)ccn12 ZINC001245537442 986917897 /nfs/dbraw/zinc/91/78/97/986917897.db2.gz DIKMGWXUAHTCQY-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Cc1cc(-c2cc(C(N)=S)ccn2)c[nH+]c1N ZINC001245537879 986921421 /nfs/dbraw/zinc/92/14/21/986921421.db2.gz LKBUFCSIMOJMCG-UHFFFAOYSA-N 1 2 244.323 1.668 20 0 BDADLO Cc1cc(-c2cnn(C(C)C)c(=O)c2)c[nH+]c1N ZINC001245539073 986927354 /nfs/dbraw/zinc/92/73/54/986927354.db2.gz FNLHVXPIDIQGGS-UHFFFAOYSA-N 1 2 244.298 1.777 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CS1 ZINC001469010005 986958792 /nfs/dbraw/zinc/95/87/92/986958792.db2.gz IFUOFXZDLUQWDE-DTWKUNHWSA-N 1 2 239.344 1.353 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH]c[nH+]2)nn1C ZINC001469213762 986975191 /nfs/dbraw/zinc/97/51/91/986975191.db2.gz RJTUYMSIPVQRQX-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH+]c[nH]2)nn1C ZINC001469213762 986975198 /nfs/dbraw/zinc/97/51/98/986975198.db2.gz RJTUYMSIPVQRQX-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO COC[C@H]1COCC[N@@H+]1[C@@H](C)CC(F)(F)F ZINC001255661324 987052292 /nfs/dbraw/zinc/05/22/92/987052292.db2.gz BUXWOTLTTIYWOF-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H]1COCC[N@H+]1[C@@H](C)CC(F)(F)F ZINC001255661324 987052305 /nfs/dbraw/zinc/05/23/05/987052305.db2.gz BUXWOTLTTIYWOF-IUCAKERBSA-N 1 2 241.253 1.675 20 0 BDADLO CC(C)(C)N1N=C(C2CC[NH2+]CC2)CC1=O ZINC001245917435 987152059 /nfs/dbraw/zinc/15/20/59/987152059.db2.gz KBIULHSLLVLPEO-UHFFFAOYSA-N 1 2 223.320 1.811 20 0 BDADLO CCc1[nH]c(CNC(=O)CCc2ccco2)c[nH+]1 ZINC001472019006 987157317 /nfs/dbraw/zinc/15/73/17/987157317.db2.gz QVLHGCPLVVKMHR-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCc2ccco2)[nH+]1 ZINC001472019006 987157330 /nfs/dbraw/zinc/15/73/30/987157330.db2.gz QVLHGCPLVVKMHR-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO [NH3+]Cc1cc(=O)n(-c2c(F)cccc2Cl)[nH]1 ZINC001245924239 987166289 /nfs/dbraw/zinc/16/62/89/987166289.db2.gz NTZDVQMYKGECLU-UHFFFAOYSA-N 1 2 241.653 1.829 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2ccc(Cl)cc2)[nH]1 ZINC001245925091 987172854 /nfs/dbraw/zinc/17/28/54/987172854.db2.gz SYLHATZELJNMCA-UHFFFAOYSA-N 1 2 237.690 1.749 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(o1)CCCC2 ZINC001472336629 987215977 /nfs/dbraw/zinc/21/59/77/987215977.db2.gz RVXRFPIBJFFVMR-JTQLQIEISA-N 1 2 249.314 1.586 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(o1)CCCC2 ZINC001472336629 987215979 /nfs/dbraw/zinc/21/59/79/987215979.db2.gz RVXRFPIBJFFVMR-JTQLQIEISA-N 1 2 249.314 1.586 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000695296477 987334686 /nfs/dbraw/zinc/33/46/86/987334686.db2.gz XKZYMRJEOUOOFH-DJTWPOEFSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000695296477 987334690 /nfs/dbraw/zinc/33/46/90/987334690.db2.gz XKZYMRJEOUOOFH-DJTWPOEFSA-N 1 2 239.315 1.217 20 0 BDADLO Cn1nccc1CCNc1cc[nH+]cc1F ZINC000699608715 987378005 /nfs/dbraw/zinc/37/80/05/987378005.db2.gz HOJBZNTXMMMPIO-UHFFFAOYSA-N 1 2 220.251 1.031 20 0 BDADLO C[C@@H](C(=O)NCc1cccc(O)c1)n1cc[nH+]c1 ZINC001115900387 987410867 /nfs/dbraw/zinc/41/08/67/987410867.db2.gz ZZOIRAVPHIXSNR-JTQLQIEISA-N 1 2 245.282 1.466 20 0 BDADLO C[C@H](C(=O)N1CCSC[C@H]1C)n1cc[nH+]c1 ZINC001116105063 987447636 /nfs/dbraw/zinc/44/76/36/987447636.db2.gz CXGUBLBHABPQDF-NXEZZACHSA-N 1 2 239.344 1.408 20 0 BDADLO CCN(C(=O)[C@H](C)n1cc[nH+]c1)C1CCC1 ZINC001116111816 987449451 /nfs/dbraw/zinc/44/94/51/987449451.db2.gz XOBNSZLWIALUNY-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116156360 987455368 /nfs/dbraw/zinc/45/53/68/987455368.db2.gz AJJHEQBZRGHXFY-CMPLNLGQSA-N 1 2 239.319 1.111 20 0 BDADLO CCC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(C)=O ZINC001116171380 987460663 /nfs/dbraw/zinc/46/06/63/987460663.db2.gz SQINKMLHFHLOFC-NEPJUHHUSA-N 1 2 241.331 1.772 20 0 BDADLO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(C)=O ZINC001116171380 987460671 /nfs/dbraw/zinc/46/06/71/987460671.db2.gz SQINKMLHFHLOFC-NEPJUHHUSA-N 1 2 241.331 1.772 20 0 BDADLO C[C@@H](C(=O)N1CC[C@H](C)C1)n1cc[nH+]c1 ZINC001116234351 987489776 /nfs/dbraw/zinc/48/97/76/987489776.db2.gz BUBFLAIZMHZEPM-UWVGGRQHSA-N 1 2 207.277 1.313 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001116287440 987507906 /nfs/dbraw/zinc/50/79/06/987507906.db2.gz JOMXKQBMLGYBSE-IUCAKERBSA-N 1 2 243.257 1.748 20 0 BDADLO CCN(CC(C)(C)O)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001116418504 987562027 /nfs/dbraw/zinc/56/20/27/987562027.db2.gz XCCXGESOPFIKIZ-JTQLQIEISA-N 1 2 239.319 1.064 20 0 BDADLO C[C@@H](O)CCC[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473797446 987562915 /nfs/dbraw/zinc/56/29/15/987562915.db2.gz POUIVWDLXVLALM-GHMZBOCLSA-N 1 2 237.347 1.565 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473797446 987562927 /nfs/dbraw/zinc/56/29/27/987562927.db2.gz POUIVWDLXVLALM-GHMZBOCLSA-N 1 2 237.347 1.565 20 0 BDADLO CC[C@@H](CSC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116484001 987596414 /nfs/dbraw/zinc/59/64/14/987596414.db2.gz LSCQTXCAMFESCC-ZJUUUORDSA-N 1 2 241.360 1.702 20 0 BDADLO Clc1ccc(CNC2CC[NH2+]CC2)nc1 ZINC001246218936 987617577 /nfs/dbraw/zinc/61/75/77/987617577.db2.gz AHHISNNDQYQCGL-UHFFFAOYSA-N 1 2 225.723 1.577 20 0 BDADLO CCn1ccc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC001474097853 987642658 /nfs/dbraw/zinc/64/26/58/987642658.db2.gz ZIQGGGNSYCBQET-SECBINFHSA-N 1 2 219.292 1.477 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2nccnc21 ZINC001474242715 987664327 /nfs/dbraw/zinc/66/43/27/987664327.db2.gz RHKVLRBQTKTCIE-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO Cc1ccc(C[C@@H](C)N[C@H]2C[NH2+]CCC2=O)cc1 ZINC001246286605 987679924 /nfs/dbraw/zinc/67/99/24/987679924.db2.gz DFNQDYXKQINYQY-OCCSQVGLSA-N 1 2 246.354 1.447 20 0 BDADLO Cc1noc(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC001116879444 987744383 /nfs/dbraw/zinc/74/43/83/987744383.db2.gz APYUULIMBQQVAX-UHFFFAOYSA-N 1 2 234.259 1.586 20 0 BDADLO Cc1noc(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC001116879444 987744391 /nfs/dbraw/zinc/74/43/91/987744391.db2.gz APYUULIMBQQVAX-UHFFFAOYSA-N 1 2 234.259 1.586 20 0 BDADLO COC1(Cc2nnc(C[NH+](C)C)o2)CCC1 ZINC001117283938 987818949 /nfs/dbraw/zinc/81/89/49/987818949.db2.gz DWPGPVAYGFRVKF-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO Cc1nocc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC001476823117 987850302 /nfs/dbraw/zinc/85/03/02/987850302.db2.gz PISLTFDHUPJXAG-UHFFFAOYSA-N 1 2 247.258 1.282 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CC[C@H]2C2CC2)c1 ZINC001478784496 987884734 /nfs/dbraw/zinc/88/47/34/987884734.db2.gz QBHOMMDXKYQLOJ-LBPRGKRZSA-N 1 2 248.330 1.157 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC001321816788 988005456 /nfs/dbraw/zinc/00/54/56/988005456.db2.gz BKVXWEHWRNMGPU-UHFFFAOYSA-N 1 2 247.302 1.331 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC001321816788 988005472 /nfs/dbraw/zinc/00/54/72/988005472.db2.gz BKVXWEHWRNMGPU-UHFFFAOYSA-N 1 2 247.302 1.331 20 0 BDADLO C[NH+](C)Cc1nnc(CC2CCSCC2)o1 ZINC001118070832 988006922 /nfs/dbraw/zinc/00/69/22/988006922.db2.gz RBENCSHFVPDRJI-UHFFFAOYSA-N 1 2 241.360 1.817 20 0 BDADLO CCCC(=O)N(C)CC[NH2+]Cc1ncc(C)o1 ZINC001493461111 988092853 /nfs/dbraw/zinc/09/28/53/988092853.db2.gz JALSJQUZOVIVAH-UHFFFAOYSA-N 1 2 239.319 1.331 20 0 BDADLO C[NH+](C)Cc1nnc(CC[C@H]2CCOC2)o1 ZINC001322400708 988249957 /nfs/dbraw/zinc/24/99/57/988249957.db2.gz WKFOVDNXTIZVIP-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO CSCCC[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001322574412 988329609 /nfs/dbraw/zinc/32/96/09/988329609.db2.gz HCHYTMVJTFELDU-UHFFFAOYSA-N 1 2 213.350 1.903 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C1Cc2ccccc2C1 ZINC001118495647 988382792 /nfs/dbraw/zinc/38/27/92/988382792.db2.gz XYUNLHQKVFNJNB-UHFFFAOYSA-N 1 2 228.299 1.404 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C1Cc2ccccc2C1 ZINC001118495647 988382797 /nfs/dbraw/zinc/38/27/97/988382797.db2.gz XYUNLHQKVFNJNB-UHFFFAOYSA-N 1 2 228.299 1.404 20 0 BDADLO C[C@@H](C(=O)NC1(C)CCOCC1)n1cc[nH+]c1 ZINC001322924488 988405980 /nfs/dbraw/zinc/40/59/80/988405980.db2.gz TYHBDKCUASMLIH-JTQLQIEISA-N 1 2 237.303 1.129 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)[nH]n1 ZINC001323324940 988498961 /nfs/dbraw/zinc/49/89/61/988498961.db2.gz XXDZMFXQHIECFJ-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)[nH]n1 ZINC001323324940 988498965 /nfs/dbraw/zinc/49/89/65/988498965.db2.gz XXDZMFXQHIECFJ-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO O=C(CC(F)(F)F)NC[C@H]1CC[N@H+]1CCF ZINC001498937597 988514887 /nfs/dbraw/zinc/51/48/87/988514887.db2.gz HSCCDJDZRJGLED-SSDOTTSWSA-N 1 2 242.216 1.099 20 0 BDADLO O=C(CC(F)(F)F)NC[C@H]1CC[N@@H+]1CCF ZINC001498937597 988514889 /nfs/dbraw/zinc/51/48/89/988514889.db2.gz HSCCDJDZRJGLED-SSDOTTSWSA-N 1 2 242.216 1.099 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001323734382 988598452 /nfs/dbraw/zinc/59/84/52/988598452.db2.gz DHJSFHVCEDDRMN-RYUDHWBXSA-N 1 2 235.331 1.949 20 0 BDADLO C[C@H](C(=O)NCCCc1ccco1)n1cc[nH+]c1 ZINC001118833338 988630064 /nfs/dbraw/zinc/63/00/64/988630064.db2.gz OUYRQJAQOYRMJF-LLVKDONJSA-N 1 2 247.298 1.786 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(F)F ZINC001548718101 988660385 /nfs/dbraw/zinc/66/03/85/988660385.db2.gz WTUFNSLNSIDBTD-YUMQZZPRSA-N 1 2 243.257 1.215 20 0 BDADLO c1[nH]cc(Cc2nc(-c3ccccn3)no2)[nH+]1 ZINC001247136935 988851539 /nfs/dbraw/zinc/85/15/39/988851539.db2.gz CBAPFSUKUATDQB-UHFFFAOYSA-N 1 2 227.227 1.446 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001324476919 988852089 /nfs/dbraw/zinc/85/20/89/988852089.db2.gz YAYGAQRQGQKSGB-QWRGUYRKSA-N 1 2 220.320 1.817 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001324476919 988852090 /nfs/dbraw/zinc/85/20/90/988852090.db2.gz YAYGAQRQGQKSGB-QWRGUYRKSA-N 1 2 220.320 1.817 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CC[C@H](O)C(C)C)C1CC1 ZINC001119253199 988864349 /nfs/dbraw/zinc/86/43/49/988864349.db2.gz BXDBZJUAACNOMG-RYUDHWBXSA-N 1 2 243.347 1.325 20 0 BDADLO c1cn(-c2ccc(-c3ncon3)cc2)c[nH+]1 ZINC001247394275 988875666 /nfs/dbraw/zinc/87/56/66/988875666.db2.gz KPUBSLXOKZGPRK-UHFFFAOYSA-N 1 2 212.212 1.922 20 0 BDADLO CCON(CC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001119276824 988879271 /nfs/dbraw/zinc/87/92/71/988879271.db2.gz VMZOBLQDPIPKAC-SECBINFHSA-N 1 2 211.265 1.244 20 0 BDADLO O=C([O-])[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001601793713 988888512 /nfs/dbraw/zinc/88/85/12/988888512.db2.gz KCJBEIPEUCCVSU-KXUCPTDWSA-N 1 2 249.314 1.110 20 0 BDADLO CNc1cc(NCc2cc(OC)no2)nc[nH+]1 ZINC001548519330 988888635 /nfs/dbraw/zinc/88/86/35/988888635.db2.gz YRUQMBVQTZVSCR-UHFFFAOYSA-N 1 2 235.247 1.127 20 0 BDADLO CNc1cc(NCc2cc(OC)no2)[nH+]cn1 ZINC001548519330 988888636 /nfs/dbraw/zinc/88/86/36/988888636.db2.gz YRUQMBVQTZVSCR-UHFFFAOYSA-N 1 2 235.247 1.127 20 0 BDADLO [NH3+][C@@H](CO)c1nc(-c2ncccc2C2CC2)no1 ZINC001247607733 988946221 /nfs/dbraw/zinc/94/62/21/988946221.db2.gz BHCBOQNWAFWNLD-VIFPVBQESA-N 1 2 246.270 1.001 20 0 BDADLO [NH3+][C@@H](CO)c1nc(-c2cc(F)ccc2F)no1 ZINC001247614652 988948386 /nfs/dbraw/zinc/94/83/86/988948386.db2.gz ZXJYDAZAKBPBRE-QMMMGPOBSA-N 1 2 241.197 1.007 20 0 BDADLO c1ncc2c(n1)CC[N@@H+](CCOCC1CC1)C2 ZINC001119328700 988949863 /nfs/dbraw/zinc/94/98/63/988949863.db2.gz UDEVUXONZXGKIU-UHFFFAOYSA-N 1 2 233.315 1.261 20 0 BDADLO c1ncc2c(n1)CC[N@H+](CCOCC1CC1)C2 ZINC001119328700 988949882 /nfs/dbraw/zinc/94/98/82/988949882.db2.gz UDEVUXONZXGKIU-UHFFFAOYSA-N 1 2 233.315 1.261 20 0 BDADLO Cc1cnc(NCC[N@@H+]2CCOCC2(C)C)o1 ZINC001119343675 988980478 /nfs/dbraw/zinc/98/04/78/988980478.db2.gz LDGDMPAKBGJECD-UHFFFAOYSA-N 1 2 239.319 1.506 20 0 BDADLO Cc1cnc(NCC[N@H+]2CCOCC2(C)C)o1 ZINC001119343675 988980495 /nfs/dbraw/zinc/98/04/95/988980495.db2.gz LDGDMPAKBGJECD-UHFFFAOYSA-N 1 2 239.319 1.506 20 0 BDADLO CCc1ccc(N2CCC(C(=O)NC)CC2)[nH+]c1 ZINC001515327465 989026626 /nfs/dbraw/zinc/02/66/26/989026626.db2.gz JHVDEVCPUZDGQA-UHFFFAOYSA-N 1 2 247.342 1.606 20 0 BDADLO C[C@@H](CC(=O)Nc1ccnnc1)n1cc[nH+]c1 ZINC001119471638 989095472 /nfs/dbraw/zinc/09/54/72/989095472.db2.gz NQLRLLBUCOZDRA-VIFPVBQESA-N 1 2 231.259 1.263 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)CCC1(F)F ZINC001515767399 989111552 /nfs/dbraw/zinc/11/15/52/989111552.db2.gz GZALIKTZYFHLCQ-ZETCQYMHSA-N 1 2 228.246 1.540 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)[nH]n1 ZINC001119512595 989116145 /nfs/dbraw/zinc/11/61/45/989116145.db2.gz SLBKPYDWHNZLMJ-RKDXNWHRSA-N 1 2 237.303 1.427 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@H]2C)[nH]n1 ZINC001119512595 989116155 /nfs/dbraw/zinc/11/61/55/989116155.db2.gz SLBKPYDWHNZLMJ-RKDXNWHRSA-N 1 2 237.303 1.427 20 0 BDADLO C[C@H]1CC(C)(C)CN1c1cc(N)nc[nH+]1 ZINC001515832837 989120540 /nfs/dbraw/zinc/12/05/40/989120540.db2.gz UGADDLPTQVYLEF-QMMMGPOBSA-N 1 2 206.293 1.684 20 0 BDADLO FC1CN(C2C[NH+](Cc3ccc4n3CCC4)C2)C1 ZINC001248821192 989177953 /nfs/dbraw/zinc/17/79/53/989177953.db2.gz RGUFGVRQZWOALO-UHFFFAOYSA-N 1 2 249.333 1.272 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248821050 989178323 /nfs/dbraw/zinc/17/83/23/989178323.db2.gz MIFIPRIKPPWPAI-NSHDSACASA-N 1 2 232.327 1.988 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc2n1CCC2 ZINC001248821050 989178326 /nfs/dbraw/zinc/17/83/26/989178326.db2.gz MIFIPRIKPPWPAI-NSHDSACASA-N 1 2 232.327 1.988 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CCCCO1 ZINC001518049590 989274559 /nfs/dbraw/zinc/27/45/59/989274559.db2.gz VERSVPBMNALHBT-LLVKDONJSA-N 1 2 238.287 1.515 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CCCCO1 ZINC001518049591 989276871 /nfs/dbraw/zinc/27/68/71/989276871.db2.gz VERSVPBMNALHBT-NSHDSACASA-N 1 2 238.287 1.515 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249476569 989289790 /nfs/dbraw/zinc/28/97/90/989289790.db2.gz XNGYWBPXWSJQTB-UHFFFAOYSA-N 1 2 237.347 1.490 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249476569 989289803 /nfs/dbraw/zinc/28/98/03/989289803.db2.gz XNGYWBPXWSJQTB-UHFFFAOYSA-N 1 2 237.347 1.490 20 0 BDADLO Cc1cc(C[N@@H+](C)CCC(=O)N(C)C)ns1 ZINC001249588630 989318597 /nfs/dbraw/zinc/31/85/97/989318597.db2.gz KCBRFWIZTRIHMP-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO Cc1cc(C[N@H+](C)CCC(=O)N(C)C)ns1 ZINC001249588630 989318610 /nfs/dbraw/zinc/31/86/10/989318610.db2.gz KCBRFWIZTRIHMP-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCc1ccccc1 ZINC001518741916 989335584 /nfs/dbraw/zinc/33/55/84/989335584.db2.gz NOFPOTYFZCBRLY-UHFFFAOYSA-N 1 2 243.310 1.669 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cn[nH]c1 ZINC001119696516 989345537 /nfs/dbraw/zinc/34/55/37/989345537.db2.gz YAUDDFKKEYFPBP-NRPADANISA-N 1 2 232.291 1.358 20 0 BDADLO Cc1noc(NCCCNc2cccc[nH+]2)n1 ZINC001326082794 989370289 /nfs/dbraw/zinc/37/02/89/989370289.db2.gz SBHBKFGLDTWITG-UHFFFAOYSA-N 1 2 233.275 1.687 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)nc1)c1nncn1C ZINC001119733127 989375790 /nfs/dbraw/zinc/37/57/90/989375790.db2.gz XVKLVBKVGKISHN-IUCAKERBSA-N 1 2 249.293 1.761 20 0 BDADLO CCCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001519060507 989376133 /nfs/dbraw/zinc/37/61/33/989376133.db2.gz RYUFQHJXZICLCX-UHFFFAOYSA-N 1 2 235.331 1.926 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@H]1F ZINC001519515041 989424369 /nfs/dbraw/zinc/42/43/69/989424369.db2.gz ROZLOUOPHRSLFH-VHSXEESVSA-N 1 2 237.278 1.358 20 0 BDADLO CC(C)(COC(=O)Cc1ccco1)n1cc[nH+]c1 ZINC001519584302 989436777 /nfs/dbraw/zinc/43/67/77/989436777.db2.gz ROVZMFJMZZWZNT-UHFFFAOYSA-N 1 2 248.282 1.997 20 0 BDADLO CCn1cc(C[NH2+]C(C)(C)CF)nn1 ZINC001119953495 989505054 /nfs/dbraw/zinc/50/50/54/989505054.db2.gz BFDSBPJAUFDECF-UHFFFAOYSA-N 1 2 200.261 1.136 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]2C[C@H]21 ZINC001520169864 989520104 /nfs/dbraw/zinc/52/01/04/989520104.db2.gz VUSXDZZIMQYSNB-WDEREUQCSA-N 1 2 233.315 1.364 20 0 BDADLO CCc1cc(N[C@H](C)CC(N)=O)nc(CC)[nH+]1 ZINC001119968858 989523779 /nfs/dbraw/zinc/52/37/79/989523779.db2.gz LHNWHAKBSMFINV-MRVPVSSYSA-N 1 2 236.319 1.277 20 0 BDADLO CO[C@@H]1CC[C@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC001120037760 989569709 /nfs/dbraw/zinc/56/97/09/989569709.db2.gz KJFDGCBIAVIKSD-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@@H]1CC[C@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC001120037760 989569714 /nfs/dbraw/zinc/56/97/14/989569714.db2.gz KJFDGCBIAVIKSD-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001326717730 989663612 /nfs/dbraw/zinc/66/36/12/989663612.db2.gz SMEBLDDRGRSJFM-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001326717730 989663615 /nfs/dbraw/zinc/66/36/15/989663615.db2.gz SMEBLDDRGRSJFM-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1(C)CC1 ZINC001120805652 989888918 /nfs/dbraw/zinc/88/89/18/989888918.db2.gz KGZUBHOHXDWNPR-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1(C)CC1 ZINC001120805943 989891150 /nfs/dbraw/zinc/89/11/50/989891150.db2.gz ORVXAQUTHKKTEY-MRVPVSSYSA-N 1 2 207.277 1.257 20 0 BDADLO Cc1cc(F)cc(N2CCOC[C@@H]2C)[nH+]1 ZINC001120850652 989920942 /nfs/dbraw/zinc/92/09/42/989920942.db2.gz AQXBJGZLTGSSOG-VIFPVBQESA-N 1 2 210.252 1.754 20 0 BDADLO Cc1ccc(CN(C)c2cc(N)nc[nH+]2)nc1 ZINC001120925618 989971415 /nfs/dbraw/zinc/97/14/15/989971415.db2.gz IYNTTZFUYQGPEO-UHFFFAOYSA-N 1 2 229.287 1.399 20 0 BDADLO CCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001526098222 990115348 /nfs/dbraw/zinc/11/53/48/990115348.db2.gz BILURBFUDDHHNL-UHFFFAOYSA-N 1 2 210.277 1.962 20 0 BDADLO CCn1c[nH+]cc1COC(=O)Cc1cccnc1 ZINC001527011467 990199208 /nfs/dbraw/zinc/19/92/08/990199208.db2.gz DKWCBBYYRQLRDX-UHFFFAOYSA-N 1 2 245.282 1.584 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCOC(C)C ZINC001527008379 990199401 /nfs/dbraw/zinc/19/94/01/990199401.db2.gz VWJWRUGMRNWSFH-UHFFFAOYSA-N 1 2 240.303 1.761 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)C[C@@H]([NH3+])C(F)F ZINC001122207208 990292347 /nfs/dbraw/zinc/29/23/47/990292347.db2.gz CLCFTOHNOVZCCO-JGVFFNPUSA-N 1 2 234.290 1.758 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)C[C@H]([NH3+])C(F)F ZINC001122207212 990293557 /nfs/dbraw/zinc/29/35/57/990293557.db2.gz CLCFTOHNOVZCCO-YUMQZZPRSA-N 1 2 234.290 1.758 20 0 BDADLO CCc1cc(NC(=O)CCc2[nH+]ccn2C)n[nH]1 ZINC001528502246 990294957 /nfs/dbraw/zinc/29/49/57/990294957.db2.gz PQXDGRMRBYVCCF-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO Cc1cc(CNC(=O)C2CCOCC2)cc(C)[nH+]1 ZINC001529384278 990346664 /nfs/dbraw/zinc/34/66/64/990346664.db2.gz IBDCOUCXGOTHHV-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO CCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001122618816 990424429 /nfs/dbraw/zinc/42/44/29/990424429.db2.gz RGEJAURSIFIINK-JTQLQIEISA-N 1 2 239.319 1.550 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2=COCCO2)c[nH+]1 ZINC001536109875 990479411 /nfs/dbraw/zinc/47/94/11/990479411.db2.gz PODXDZTYCCMLAY-UHFFFAOYSA-N 1 2 248.282 1.203 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccnc(F)c1 ZINC001537603158 990507974 /nfs/dbraw/zinc/50/79/74/990507974.db2.gz ARIYHYJMOMWGMB-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO COC/C(C)=C\C(=O)Nc1cccc2[nH+]ccn21 ZINC001538058277 990521926 /nfs/dbraw/zinc/52/19/26/990521926.db2.gz JLGUTODDWWLODW-NTMALXAHSA-N 1 2 245.282 1.866 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(F)c(F)c1 ZINC001538689411 990538554 /nfs/dbraw/zinc/53/85/54/990538554.db2.gz LTEOHTVOXITROE-UHFFFAOYSA-N 1 2 237.209 1.869 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCc1ccco1 ZINC001123481366 990596107 /nfs/dbraw/zinc/59/61/07/990596107.db2.gz KXYYZKPXUFGCCZ-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO C[C@H](CC(F)(F)F)C(=O)NCCn1cc[nH+]c1 ZINC001123562012 990610795 /nfs/dbraw/zinc/61/07/95/990610795.db2.gz HHXUFZJIBQSJIL-MRVPVSSYSA-N 1 2 249.236 1.588 20 0 BDADLO CCOc1ccc(OC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001540439047 990620987 /nfs/dbraw/zinc/62/09/87/990620987.db2.gz IDDRZOCAYMHPQB-UHFFFAOYSA-N 1 2 246.266 1.957 20 0 BDADLO O=C([C@@H]1C[C@H]1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001123657438 990638303 /nfs/dbraw/zinc/63/83/03/990638303.db2.gz LKYRNCJCRLTVNY-NXEZZACHSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@@H]1C[C@H]1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001123657438 990638306 /nfs/dbraw/zinc/63/83/06/990638306.db2.gz LKYRNCJCRLTVNY-NXEZZACHSA-N 1 2 237.278 1.474 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)C(C)C)o1 ZINC001123694742 990648639 /nfs/dbraw/zinc/64/86/39/990648639.db2.gz NTTSJNABJJJCEZ-JTQLQIEISA-N 1 2 239.319 1.406 20 0 BDADLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC001543789303 990703323 /nfs/dbraw/zinc/70/33/23/990703323.db2.gz OLKYYCLCVXDFJJ-GXSJLCMTSA-N 1 2 249.314 1.074 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CC(F)(F)F ZINC001123996232 990728526 /nfs/dbraw/zinc/72/85/26/990728526.db2.gz XAXPHYYLQBHSMW-UHFFFAOYSA-N 1 2 235.209 1.031 20 0 BDADLO Cc1c(C(=O)NCCc2[nH+]ccn2C)ccn1C ZINC001124011277 990731771 /nfs/dbraw/zinc/73/17/71/990731771.db2.gz PAWHUDIGMMEBPG-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001124020088 990735504 /nfs/dbraw/zinc/73/55/04/990735504.db2.gz NQOCXZUKYJUFAL-WOPDTQHZSA-N 1 2 247.342 1.515 20 0 BDADLO O=C(NCCC(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001124112326 990753694 /nfs/dbraw/zinc/75/36/94/990753694.db2.gz RZVGUJMEFQECMQ-RNFRBKRXSA-N 1 2 229.230 1.285 20 0 BDADLO O=C(NCCC(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001124112326 990753699 /nfs/dbraw/zinc/75/36/99/990753699.db2.gz RZVGUJMEFQECMQ-RNFRBKRXSA-N 1 2 229.230 1.285 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](O)C[C@@H]2C)[nH+]1 ZINC001548514403 990764254 /nfs/dbraw/zinc/76/42/54/990764254.db2.gz CJRVOVFYOXAHND-WCBMZHEXSA-N 1 2 210.252 1.489 20 0 BDADLO CC[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001548637175 990774790 /nfs/dbraw/zinc/77/47/90/990774790.db2.gz YOLHONHTFPTOQA-SNVBAGLBSA-N 1 2 223.320 1.610 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C(F)F ZINC001548717787 990778822 /nfs/dbraw/zinc/77/88/22/990778822.db2.gz NVCWJOFWQGRLEQ-RNFRBKRXSA-N 1 2 231.246 1.358 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C(F)F ZINC001548717787 990778828 /nfs/dbraw/zinc/77/88/28/990778828.db2.gz NVCWJOFWQGRLEQ-RNFRBKRXSA-N 1 2 231.246 1.358 20 0 BDADLO CCc1cnc(CNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001556312466 990820606 /nfs/dbraw/zinc/82/06/06/990820606.db2.gz RANFHJNTIIOWDO-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(O)c1F ZINC001137580317 990825336 /nfs/dbraw/zinc/82/53/36/990825336.db2.gz CPQYTMCZCYHOMF-UHFFFAOYSA-N 1 2 235.218 1.436 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCC1CC1 ZINC001137639664 990832499 /nfs/dbraw/zinc/83/24/99/990832499.db2.gz GMXSYWHUUHRKEM-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO Fc1ccc(C[NH+]2CC3(CSC3)C2)cn1 ZINC001137742694 990847819 /nfs/dbraw/zinc/84/78/19/990847819.db2.gz FACXCWMAYZFOFO-UHFFFAOYSA-N 1 2 224.304 1.770 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930573 990869822 /nfs/dbraw/zinc/86/98/22/990869822.db2.gz UMIMMDIWPWJZOO-QMMMGPOBSA-N 1 2 245.244 1.918 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2F)C1 ZINC001137930573 990869827 /nfs/dbraw/zinc/86/98/27/990869827.db2.gz UMIMMDIWPWJZOO-QMMMGPOBSA-N 1 2 245.244 1.918 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnc(N)nc2)cn1 ZINC001138169621 990896264 /nfs/dbraw/zinc/89/62/64/990896264.db2.gz PGRGVMXDMSHLPC-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnc(N)nc2)cn1 ZINC001138169621 990896266 /nfs/dbraw/zinc/89/62/66/990896266.db2.gz PGRGVMXDMSHLPC-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Nc1ncc(C[N@H+](Cc2ccco2)C2CC2)cn1 ZINC001138167657 990896319 /nfs/dbraw/zinc/89/63/19/990896319.db2.gz BOXBJEOPVLKTTR-UHFFFAOYSA-N 1 2 244.298 1.816 20 0 BDADLO Nc1ncc(C[N@@H+](Cc2ccco2)C2CC2)cn1 ZINC001138167657 990896322 /nfs/dbraw/zinc/89/63/22/990896322.db2.gz BOXBJEOPVLKTTR-UHFFFAOYSA-N 1 2 244.298 1.816 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccns1 ZINC001557780198 990911505 /nfs/dbraw/zinc/91/15/05/990911505.db2.gz KXTQIVXTSSOPIQ-UHFFFAOYSA-N 1 2 222.273 1.058 20 0 BDADLO Oc1cc(O)cc(C[NH+]2CC3(CSC3)C2)c1 ZINC001138332932 990921385 /nfs/dbraw/zinc/92/13/85/990921385.db2.gz LZWKGKVAHGYESJ-UHFFFAOYSA-N 1 2 237.324 1.647 20 0 BDADLO Cn1c2ccccc2nc1C[NH+]1CC=CC1 ZINC001138376740 990924615 /nfs/dbraw/zinc/92/46/15/990924615.db2.gz XXJMUQOLOJZKKK-UHFFFAOYSA-N 1 2 213.284 1.945 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NCc1cc(C2CC2)no1 ZINC001558273653 990932023 /nfs/dbraw/zinc/93/20/23/990932023.db2.gz MVRZNWZHWIRPLQ-LBPRGKRZSA-N 1 2 249.314 1.262 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NCc1cc(C2CC2)no1 ZINC001558273653 990932034 /nfs/dbraw/zinc/93/20/34/990932034.db2.gz MVRZNWZHWIRPLQ-LBPRGKRZSA-N 1 2 249.314 1.262 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1ncccc1O ZINC001138395682 990936812 /nfs/dbraw/zinc/93/68/12/990936812.db2.gz BHMYRBJAIXEZBG-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1ncccc1O ZINC001138395682 990936822 /nfs/dbraw/zinc/93/68/22/990936822.db2.gz BHMYRBJAIXEZBG-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138419729 990944930 /nfs/dbraw/zinc/94/49/30/990944930.db2.gz XTYRGKCKPWEJIA-UHFFFAOYSA-N 1 2 245.326 1.654 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138419729 990944940 /nfs/dbraw/zinc/94/49/40/990944940.db2.gz XTYRGKCKPWEJIA-UHFFFAOYSA-N 1 2 245.326 1.654 20 0 BDADLO CC/C=C(/C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001558497148 990948797 /nfs/dbraw/zinc/94/87/97/990948797.db2.gz CZRPFLKXENZHGM-TWGQIWQCSA-N 1 2 221.304 1.945 20 0 BDADLO CCC=C(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001558497148 990948806 /nfs/dbraw/zinc/94/88/06/990948806.db2.gz CZRPFLKXENZHGM-TWGQIWQCSA-N 1 2 221.304 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2C[C@@H]2C)c[nH+]1 ZINC001558497296 990950281 /nfs/dbraw/zinc/95/02/81/990950281.db2.gz JEIDUELHOPYTEJ-CBAPKCEASA-N 1 2 207.277 1.244 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@@H]2C)[nH+]1 ZINC001558497296 990950292 /nfs/dbraw/zinc/95/02/92/990950292.db2.gz JEIDUELHOPYTEJ-CBAPKCEASA-N 1 2 207.277 1.244 20 0 BDADLO CN(C)c1ccc(C[NH+]2CC3(CCO3)C2)s1 ZINC001138494543 990966507 /nfs/dbraw/zinc/96/65/07/990966507.db2.gz YZQSRLFTEQJETB-UHFFFAOYSA-N 1 2 238.356 1.789 20 0 BDADLO CCCn1c[nH+]cc1CNc1cn(C)nc1OC ZINC001308389484 990978733 /nfs/dbraw/zinc/97/87/33/990978733.db2.gz CGLULTJMVPSNAA-UHFFFAOYSA-N 1 2 249.318 1.647 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCCC12COC2 ZINC001138692599 991003774 /nfs/dbraw/zinc/00/37/74/991003774.db2.gz DFENQIUWVRSJRG-UHFFFAOYSA-N 1 2 233.315 1.488 20 0 BDADLO CNc1ncccc1C[N@H+]1CCCC12COC2 ZINC001138692599 991003785 /nfs/dbraw/zinc/00/37/85/991003785.db2.gz DFENQIUWVRSJRG-UHFFFAOYSA-N 1 2 233.315 1.488 20 0 BDADLO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)n[nH]1 ZINC001558998757 991019561 /nfs/dbraw/zinc/01/95/61/991019561.db2.gz PKZIFLBHIRHMLW-SNVBAGLBSA-N 1 2 248.330 1.027 20 0 BDADLO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)n[nH]1 ZINC001558998757 991019567 /nfs/dbraw/zinc/01/95/67/991019567.db2.gz PKZIFLBHIRHMLW-SNVBAGLBSA-N 1 2 248.330 1.027 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cnnn1C ZINC001308553721 991034782 /nfs/dbraw/zinc/03/47/82/991034782.db2.gz VJESLRMBJTVNKX-UHFFFAOYSA-N 1 2 220.280 1.205 20 0 BDADLO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nnc(CO)[nH]1 ZINC001308558612 991038215 /nfs/dbraw/zinc/03/82/15/991038215.db2.gz UUMOEPDSTRHABJ-IUCAKERBSA-N 1 2 238.335 1.211 20 0 BDADLO C[C@@H]1CC([N@@H+]2CCOC(=O)C2)C[C@@H](C)C1 ZINC001258171099 991070019 /nfs/dbraw/zinc/07/00/19/991070019.db2.gz NZHUGBAKPAFXFS-UWVGGRQHSA-N 1 2 211.305 1.670 20 0 BDADLO C[C@@H]1CC([N@H+]2CCOC(=O)C2)C[C@@H](C)C1 ZINC001258171099 991070025 /nfs/dbraw/zinc/07/00/25/991070025.db2.gz NZHUGBAKPAFXFS-UWVGGRQHSA-N 1 2 211.305 1.670 20 0 BDADLO C[C@H](Cc1ccco1)[NH2+][C@H]1CCSC1=O ZINC001258180668 991080624 /nfs/dbraw/zinc/08/06/24/991080624.db2.gz SUBMAXRUGUKAFY-SCZZXKLOSA-N 1 2 225.313 1.832 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CC[C@@H]1C ZINC001138851479 991083883 /nfs/dbraw/zinc/08/38/83/991083883.db2.gz RHLULLLYDBKRDM-QMMMGPOBSA-N 1 2 223.276 1.181 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@H+]1CC[C@@H]1C ZINC001138851479 991083892 /nfs/dbraw/zinc/08/38/92/991083892.db2.gz RHLULLLYDBKRDM-QMMMGPOBSA-N 1 2 223.276 1.181 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1cc(F)ncc1F)C2 ZINC001308692401 991094766 /nfs/dbraw/zinc/09/47/66/991094766.db2.gz CSUZYHSTCUAEEE-JOYOIKCWSA-N 1 2 240.253 1.174 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1cc(F)ncc1F)C2 ZINC001308692401 991094779 /nfs/dbraw/zinc/09/47/79/991094779.db2.gz CSUZYHSTCUAEEE-JOYOIKCWSA-N 1 2 240.253 1.174 20 0 BDADLO C[C@H](Cc1ccco1)N1CC[NH2+]CC(F)(F)C1 ZINC001258186813 991095573 /nfs/dbraw/zinc/09/55/73/991095573.db2.gz SSODVYJXZQTYSD-SNVBAGLBSA-N 1 2 244.285 1.751 20 0 BDADLO Cc1c[nH]c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC001138937346 991106288 /nfs/dbraw/zinc/10/62/88/991106288.db2.gz WMYBTFOISLBYQJ-AOOOYVTPSA-N 1 2 219.288 1.414 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC001138937346 991106291 /nfs/dbraw/zinc/10/62/91/991106291.db2.gz WMYBTFOISLBYQJ-AOOOYVTPSA-N 1 2 219.288 1.414 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)Cc2ccco2)CC1=O ZINC001258194045 991107837 /nfs/dbraw/zinc/10/78/37/991107837.db2.gz AOCFCURESJWXTF-NSHDSACASA-N 1 2 236.315 1.375 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)Cc2ccco2)CC1=O ZINC001258194045 991107843 /nfs/dbraw/zinc/10/78/43/991107843.db2.gz AOCFCURESJWXTF-NSHDSACASA-N 1 2 236.315 1.375 20 0 BDADLO CCc1cn(Cc2nc(C3CC3)nn2C)c[nH+]1 ZINC001559466272 991114441 /nfs/dbraw/zinc/11/44/41/991114441.db2.gz PXDCHMIUQHKZPV-UHFFFAOYSA-N 1 2 231.303 1.500 20 0 BDADLO CSCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258213667 991135082 /nfs/dbraw/zinc/13/50/82/991135082.db2.gz UZQXSJRQDZWIOI-BDAKNGLRSA-N 1 2 239.331 1.830 20 0 BDADLO CSCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258213667 991135094 /nfs/dbraw/zinc/13/50/94/991135094.db2.gz UZQXSJRQDZWIOI-BDAKNGLRSA-N 1 2 239.331 1.830 20 0 BDADLO CC(C)CCc1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001258282500 991210816 /nfs/dbraw/zinc/21/08/16/991210816.db2.gz IOHNIGCBHFXICK-UHFFFAOYSA-N 1 2 220.276 1.972 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H](C)c2nncn2C)cn1 ZINC000226243727 991222989 /nfs/dbraw/zinc/22/29/89/991222989.db2.gz UBNHGJLTCXYVKG-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO O=C(c1c[nH]c2cc[nH+]cc21)N1CCC(O)CC1 ZINC001161186565 991237069 /nfs/dbraw/zinc/23/70/69/991237069.db2.gz IGQIAAOLWQADKS-UHFFFAOYSA-N 1 2 245.282 1.160 20 0 BDADLO COC(=O)C[NH2+][C@H](C)CC(C)(C)SC ZINC001258322479 991248382 /nfs/dbraw/zinc/24/83/82/991248382.db2.gz ZUBLRPJWSMAGAB-MRVPVSSYSA-N 1 2 219.350 1.669 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccc(Cl)n2)CC[C@H]1F ZINC001139547974 991263998 /nfs/dbraw/zinc/26/39/98/991263998.db2.gz RJKHEYJOUWNAOH-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@H]1F ZINC001139547974 991264005 /nfs/dbraw/zinc/26/40/05/991264005.db2.gz RJKHEYJOUWNAOH-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccn1 ZINC001139565735 991274950 /nfs/dbraw/zinc/27/49/50/991274950.db2.gz JDZZLRWOQQOPNZ-LLVKDONJSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(Cl)ccn1 ZINC001139565735 991274964 /nfs/dbraw/zinc/27/49/64/991274964.db2.gz JDZZLRWOQQOPNZ-LLVKDONJSA-N 1 2 226.707 1.956 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@](O)(C(F)F)C2)oc1C ZINC001559848944 991289473 /nfs/dbraw/zinc/28/94/73/991289473.db2.gz HEMJLTAXUZEZLT-LLVKDONJSA-N 1 2 246.257 1.493 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@](O)(C(F)F)C2)oc1C ZINC001559848944 991289487 /nfs/dbraw/zinc/28/94/87/991289487.db2.gz HEMJLTAXUZEZLT-LLVKDONJSA-N 1 2 246.257 1.493 20 0 BDADLO CCCOC1C[NH+]([C@H](C)CCC(=O)OC)C1 ZINC001258369987 991322016 /nfs/dbraw/zinc/32/20/16/991322016.db2.gz JRCFGQSDLKABCG-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CC1C[NH+](Cc2cn3ccncc3n2)C1 ZINC001139694478 991325897 /nfs/dbraw/zinc/32/58/97/991325897.db2.gz PIMAAZMPCALAHK-UHFFFAOYSA-N 1 2 202.261 1.181 20 0 BDADLO COCc1nnc2n1CC[N@H+]([C@H]1C=CCCC1)C2 ZINC001559974583 991345398 /nfs/dbraw/zinc/34/53/98/991345398.db2.gz ZVDFFLYOQBJQIM-NSHDSACASA-N 1 2 248.330 1.349 20 0 BDADLO COCc1nnc2n1CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC001559974583 991345404 /nfs/dbraw/zinc/34/54/04/991345404.db2.gz ZVDFFLYOQBJQIM-NSHDSACASA-N 1 2 248.330 1.349 20 0 BDADLO C[N@H+](CCF)Cc1cnc2c(c1)OCCO2 ZINC001139739416 991353070 /nfs/dbraw/zinc/35/30/70/991353070.db2.gz CNGHWQHWNMMZBY-UHFFFAOYSA-N 1 2 226.251 1.254 20 0 BDADLO C[N@@H+](CCF)Cc1cnc2c(c1)OCCO2 ZINC001139739416 991353079 /nfs/dbraw/zinc/35/30/79/991353079.db2.gz CNGHWQHWNMMZBY-UHFFFAOYSA-N 1 2 226.251 1.254 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NC[C@H]1C=CCC1 ZINC001313214048 991377972 /nfs/dbraw/zinc/37/79/72/991377972.db2.gz UYXOMIWUNRCFQV-JTQLQIEISA-N 1 2 246.314 1.429 20 0 BDADLO COCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)s1 ZINC001139823685 991383247 /nfs/dbraw/zinc/38/32/47/991383247.db2.gz CLQBHQYLMFCBSH-WDEREUQCSA-N 1 2 245.319 1.409 20 0 BDADLO COCc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)s1 ZINC001139823685 991383254 /nfs/dbraw/zinc/38/32/54/991383254.db2.gz CLQBHQYLMFCBSH-WDEREUQCSA-N 1 2 245.319 1.409 20 0 BDADLO Cc1ccc(C[N@H+]2CCCN(C)C(=O)C2)nc1 ZINC001139838839 991393599 /nfs/dbraw/zinc/39/35/99/991393599.db2.gz UHBBLIDYMCFYCU-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)nc1 ZINC001139838839 991393605 /nfs/dbraw/zinc/39/36/05/991393605.db2.gz UHBBLIDYMCFYCU-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001328703691 991394017 /nfs/dbraw/zinc/39/40/17/991394017.db2.gz PULNKGQQUHPPKU-ISUDXETCSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)nc1 ZINC001139843145 991401042 /nfs/dbraw/zinc/40/10/42/991401042.db2.gz LIBCDYKPMAQPDW-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)nc1 ZINC001139843145 991401046 /nfs/dbraw/zinc/40/10/46/991401046.db2.gz LIBCDYKPMAQPDW-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO F[C@H]1C[C@H]2C[N@H+](Cc3ccccn3)CCN2C1 ZINC001560201021 991411554 /nfs/dbraw/zinc/41/15/54/991411554.db2.gz CRHJDPIPQPNJOH-AAEUAGOBSA-N 1 2 235.306 1.310 20 0 BDADLO F[C@H]1C[C@H]2C[N@@H+](Cc3ccccn3)CCN2C1 ZINC001560201021 991411561 /nfs/dbraw/zinc/41/15/61/991411561.db2.gz CRHJDPIPQPNJOH-AAEUAGOBSA-N 1 2 235.306 1.310 20 0 BDADLO C[N@H+](Cc1ccccn1)Cc1cccnn1 ZINC001139969813 991434960 /nfs/dbraw/zinc/43/49/60/991434960.db2.gz FPGCZTHPJNHMNP-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccccn1)Cc1cccnn1 ZINC001139969813 991434964 /nfs/dbraw/zinc/43/49/64/991434964.db2.gz FPGCZTHPJNHMNP-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO c1cnnc(C[NH+]2CC3(CSC3)C2)c1 ZINC001139976400 991448778 /nfs/dbraw/zinc/44/87/78/991448778.db2.gz YWEXUJCQVMPLOJ-UHFFFAOYSA-N 1 2 207.302 1.025 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccnnc2)C[C@H]1F ZINC001139980561 991452540 /nfs/dbraw/zinc/45/25/40/991452540.db2.gz SPZXARHCIWRZJC-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccnnc2)C[C@H]1F ZINC001139980561 991452544 /nfs/dbraw/zinc/45/25/44/991452544.db2.gz SPZXARHCIWRZJC-MWLCHTKSSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988459 991469094 /nfs/dbraw/zinc/46/90/94/991469094.db2.gz YNTWAOHUSNARKG-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988459 991469102 /nfs/dbraw/zinc/46/91/02/991469102.db2.gz YNTWAOHUSNARKG-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO O=C1CC[N@@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258514586 991473372 /nfs/dbraw/zinc/47/33/72/991473372.db2.gz MOZIEEASQMIXPE-UHFFFAOYSA-N 1 2 244.338 1.930 20 0 BDADLO O=C1CC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258514586 991473380 /nfs/dbraw/zinc/47/33/80/991473380.db2.gz MOZIEEASQMIXPE-UHFFFAOYSA-N 1 2 244.338 1.930 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc(CCO)nc1 ZINC001560492377 991487277 /nfs/dbraw/zinc/48/72/77/991487277.db2.gz SXVQROLPBCLWJC-UHFFFAOYSA-N 1 2 246.314 1.445 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258592986 991492499 /nfs/dbraw/zinc/49/24/99/991492499.db2.gz IDDRANJKHPMBEM-ZJUUUORDSA-N 1 2 229.320 1.079 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccnc(NC)n1)C2 ZINC001140047714 991498530 /nfs/dbraw/zinc/49/85/30/991498530.db2.gz RDGBUWPEMDRGDE-AAEUAGOBSA-N 1 2 248.330 1.272 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccnc(NC)n1)C2 ZINC001140047714 991498534 /nfs/dbraw/zinc/49/85/34/991498534.db2.gz RDGBUWPEMDRGDE-AAEUAGOBSA-N 1 2 248.330 1.272 20 0 BDADLO Fc1cccc(C[N@@H+]2CC[C@@]23CCOC3)n1 ZINC001140135845 991539029 /nfs/dbraw/zinc/53/90/29/991539029.db2.gz VONBRNBDYUVTNN-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cccc(C[N@H+]2CC[C@@]23CCOC3)n1 ZINC001140135845 991539041 /nfs/dbraw/zinc/53/90/41/991539041.db2.gz VONBRNBDYUVTNN-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO CC(=O)OC1C[NH+]([C@H](C)Cc2cccnc2)C1 ZINC001258628082 991561731 /nfs/dbraw/zinc/56/17/31/991561731.db2.gz NHDJRAKSVXOKQE-SNVBAGLBSA-N 1 2 234.299 1.260 20 0 BDADLO CCN1CC[N@@H+]([C@@H](C)Cc2cccnc2)CC1=O ZINC001258629454 991567071 /nfs/dbraw/zinc/56/70/71/991567071.db2.gz BAQQPTSHQPAXPN-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@H+]([C@@H](C)Cc2cccnc2)CC1=O ZINC001258629454 991567082 /nfs/dbraw/zinc/56/70/82/991567082.db2.gz BAQQPTSHQPAXPN-LBPRGKRZSA-N 1 2 247.342 1.177 20 0 BDADLO Oc1cnccc1C[N@@H+]1CCc2ncncc2C1 ZINC001140278095 991598703 /nfs/dbraw/zinc/59/87/03/991598703.db2.gz NTRJHDSOIQDMGS-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO Oc1cnccc1C[N@H+]1CCc2ncncc2C1 ZINC001140278095 991598715 /nfs/dbraw/zinc/59/87/15/991598715.db2.gz NTRJHDSOIQDMGS-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ncccc1F ZINC001560832551 991615559 /nfs/dbraw/zinc/61/55/59/991615559.db2.gz GXYIZCLCXQCFAY-VXGBXAGGSA-N 1 2 240.278 1.114 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(CC)CCCC2)C1 ZINC001318073803 991617592 /nfs/dbraw/zinc/61/75/92/991617592.db2.gz INHZODMQRSLQPI-UHFFFAOYSA-N 1 2 224.348 1.777 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001560852717 991624507 /nfs/dbraw/zinc/62/45/07/991624507.db2.gz SPEPQSJEVRCNIF-UHFFFAOYSA-N 1 2 243.314 1.675 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)ncn1 ZINC001140350618 991625841 /nfs/dbraw/zinc/62/58/41/991625841.db2.gz NRBKOZMTHOOBTI-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ncn1 ZINC001140350618 991625842 /nfs/dbraw/zinc/62/58/42/991625842.db2.gz NRBKOZMTHOOBTI-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO COCc1cc(C[N@H+](C)CC(C)(C)CO)no1 ZINC001560858881 991628732 /nfs/dbraw/zinc/62/87/32/991628732.db2.gz VPVCTBVRBPMSTH-UHFFFAOYSA-N 1 2 242.319 1.271 20 0 BDADLO COCc1cc(C[N@@H+](C)CC(C)(C)CO)no1 ZINC001560858881 991628735 /nfs/dbraw/zinc/62/87/35/991628735.db2.gz VPVCTBVRBPMSTH-UHFFFAOYSA-N 1 2 242.319 1.271 20 0 BDADLO c1[nH]nc2ccc(C[N@@H+]3CCC34COC4)cc12 ZINC001140385810 991631439 /nfs/dbraw/zinc/63/14/39/991631439.db2.gz HNARWZWLXPKJMG-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO c1[nH]nc2ccc(C[N@H+]3CCC34COC4)cc12 ZINC001140385810 991631442 /nfs/dbraw/zinc/63/14/42/991631442.db2.gz HNARWZWLXPKJMG-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO c1[nH]nc2ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)cc12 ZINC001140386576 991631877 /nfs/dbraw/zinc/63/18/77/991631877.db2.gz SLDFPTSEJQDJPF-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cc12 ZINC001140386576 991631882 /nfs/dbraw/zinc/63/18/82/991631882.db2.gz SLDFPTSEJQDJPF-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)cc12 ZINC001140388691 991635322 /nfs/dbraw/zinc/63/53/22/991635322.db2.gz CAMAQYJEXDLIFO-QWHCGFSZSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)cc12 ZINC001140388691 991635326 /nfs/dbraw/zinc/63/53/26/991635326.db2.gz CAMAQYJEXDLIFO-QWHCGFSZSA-N 1 2 229.283 1.536 20 0 BDADLO C[C@H](C(=O)N1C[C@H](C)C[C@@H]1C)n1cc[nH+]c1 ZINC001318661481 991696358 /nfs/dbraw/zinc/69/63/58/991696358.db2.gz MXYUGAGHGTZJCJ-OUAUKWLOSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@H](C(=O)N1CCCC1(C)C)n1cc[nH+]c1 ZINC001318831326 991718420 /nfs/dbraw/zinc/71/84/20/991718420.db2.gz WUMMOMGZOSQTGR-SNVBAGLBSA-N 1 2 221.304 1.845 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NCC1CC=CC1 ZINC001565082953 991780890 /nfs/dbraw/zinc/78/08/90/991780890.db2.gz VXCLMUZUDKWPAY-UHFFFAOYSA-N 1 2 246.314 1.429 20 0 BDADLO COC(C)(C)CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001319094276 991785224 /nfs/dbraw/zinc/78/52/24/991785224.db2.gz DYOLJDHWOAHGNB-JTQLQIEISA-N 1 2 239.319 1.328 20 0 BDADLO Cc1cc(C[S@@](=O)Cc2c[nH+]cn2C)no1 ZINC001319164405 991807202 /nfs/dbraw/zinc/80/72/02/991807202.db2.gz RDFCSROPMRLJHS-MRXNPFEDSA-N 1 2 239.300 1.165 20 0 BDADLO COC(=O)[C@]1([NH2+][C@H]2CCC[C@H](C)C2)CCOC1 ZINC001258816292 991828147 /nfs/dbraw/zinc/82/81/47/991828147.db2.gz AZZDJAANKLMMKW-GVXVVHGQSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@@H]1CCC[C@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001258822254 991841218 /nfs/dbraw/zinc/84/12/18/991841218.db2.gz BJLUTACLKKBANM-ZJUUUORDSA-N 1 2 231.361 1.294 20 0 BDADLO CS[C@H](C)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319653109 991917840 /nfs/dbraw/zinc/91/78/40/991917840.db2.gz LAODIHPTWBHOSY-RKDXNWHRSA-N 1 2 227.333 1.312 20 0 BDADLO CC(=O)NCC[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001567206970 991960327 /nfs/dbraw/zinc/96/03/27/991960327.db2.gz ZFRMAIHEDGHBRZ-ZCFIWIBFSA-N 1 2 244.232 1.391 20 0 BDADLO C/C(=C/C(=O)NCC1C[NH+](CCF)C1)C1CC1 ZINC001567824955 992103503 /nfs/dbraw/zinc/10/35/03/992103503.db2.gz ILEKWCDDJCUVOL-POHAHGRESA-N 1 2 240.322 1.360 20 0 BDADLO CC[C@H](C)S(=O)(=O)Nc1c(C)[nH+]cn1C ZINC001260727300 992143163 /nfs/dbraw/zinc/14/31/63/992143163.db2.gz PPSNRBVEESJSEA-ZETCQYMHSA-N 1 2 231.321 1.269 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cncnc1)c1ccco1 ZINC001320306150 992163671 /nfs/dbraw/zinc/16/36/71/992163671.db2.gz MTLQWXAPAVNBCG-LLVKDONJSA-N 1 2 233.271 1.283 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc(C)n[nH]2)CCO1 ZINC001320624934 992278929 /nfs/dbraw/zinc/27/89/29/992278929.db2.gz OCCOBQMGKCLPCO-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc(C)n[nH]2)CCO1 ZINC001320624934 992278946 /nfs/dbraw/zinc/27/89/46/992278946.db2.gz OCCOBQMGKCLPCO-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001569316463 992359870 /nfs/dbraw/zinc/35/98/70/992359870.db2.gz UKEJDJJCFUMUJO-GHMZBOCLSA-N 1 2 237.303 1.026 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001569316463 992359879 /nfs/dbraw/zinc/35/98/79/992359879.db2.gz UKEJDJJCFUMUJO-GHMZBOCLSA-N 1 2 237.303 1.026 20 0 BDADLO CC(C)(C)/C=C/C(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001569350213 992361777 /nfs/dbraw/zinc/36/17/77/992361777.db2.gz HACBZFKQERVDTE-MALLOTDXSA-N 1 2 242.338 1.749 20 0 BDADLO CC(C)(C)/C=C/C(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001569350213 992361786 /nfs/dbraw/zinc/36/17/86/992361786.db2.gz HACBZFKQERVDTE-MALLOTDXSA-N 1 2 242.338 1.749 20 0 BDADLO CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001569344428 992368553 /nfs/dbraw/zinc/36/85/53/992368553.db2.gz FKQDXNQUBJPVQU-CYBMUJFWSA-N 1 2 247.342 1.572 20 0 BDADLO CCCC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001569344428 992368564 /nfs/dbraw/zinc/36/85/64/992368564.db2.gz FKQDXNQUBJPVQU-CYBMUJFWSA-N 1 2 247.342 1.572 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccc(F)nc2C)n1C ZINC001320885959 992389412 /nfs/dbraw/zinc/38/94/12/992389412.db2.gz RJVSIZGHOBVNTB-UHFFFAOYSA-N 1 2 249.293 1.256 20 0 BDADLO CC(C)=CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001321034219 992437370 /nfs/dbraw/zinc/43/73/70/992437370.db2.gz YMSTZAUNJYRZDN-JTQLQIEISA-N 1 2 207.277 1.527 20 0 BDADLO Cc1cc(C[N@H+]2CCCSCC2)n[nH]1 ZINC001321034655 992438374 /nfs/dbraw/zinc/43/83/74/992438374.db2.gz DTJXKNBZEBABRY-UHFFFAOYSA-N 1 2 211.334 1.657 20 0 BDADLO CC(C)=CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321034220 992438515 /nfs/dbraw/zinc/43/85/15/992438515.db2.gz YMSTZAUNJYRZDN-SNVBAGLBSA-N 1 2 207.277 1.527 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cncs2)c2ncnn21 ZINC001261671674 992457224 /nfs/dbraw/zinc/45/72/24/992457224.db2.gz WXTJJVGAKQDAEY-CBAPKCEASA-N 1 2 235.316 1.530 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC2CCC1CC2 ZINC001261736744 992472532 /nfs/dbraw/zinc/47/25/32/992472532.db2.gz TVGROOYKWHWVCH-UHFFFAOYSA-N 1 2 219.288 1.353 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001321208358 992489136 /nfs/dbraw/zinc/48/91/36/992489136.db2.gz YIBUACUKEGJSTK-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001321208358 992489141 /nfs/dbraw/zinc/48/91/41/992489141.db2.gz YIBUACUKEGJSTK-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC001321296592 992510633 /nfs/dbraw/zinc/51/06/33/992510633.db2.gz QMMRHMBOGPRHGZ-NWDGAFQWSA-N 1 2 239.315 1.610 20 0 BDADLO C[C@@H](C(=O)N[C@H]1C[C@@H](C)O[C@H]1C)n1cc[nH+]c1 ZINC001261882286 992559325 /nfs/dbraw/zinc/55/93/25/992559325.db2.gz XILLRBDSJWXCJZ-RCWTZXSCSA-N 1 2 237.303 1.126 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](C)Cc1nccn1C ZINC001262013910 992603546 /nfs/dbraw/zinc/60/35/46/992603546.db2.gz QTCGQXZRKNXJHQ-LLVKDONJSA-N 1 2 225.336 1.259 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1nccn1C ZINC001262013910 992603547 /nfs/dbraw/zinc/60/35/47/992603547.db2.gz QTCGQXZRKNXJHQ-LLVKDONJSA-N 1 2 225.336 1.259 20 0 BDADLO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1nnc[nH]1 ZINC001262018545 992609979 /nfs/dbraw/zinc/60/99/79/992609979.db2.gz MKKIDXNMVHIQMS-HTQZYQBOSA-N 1 2 246.236 1.791 20 0 BDADLO C[N@H+](CCCF)CN1C(=O)CC(C)(C)C1=O ZINC001262056291 992641311 /nfs/dbraw/zinc/64/13/11/992641311.db2.gz KJXVNLDBCDAZGG-UHFFFAOYSA-N 1 2 230.283 1.020 20 0 BDADLO C[N@@H+](CCCF)CN1C(=O)CC(C)(C)C1=O ZINC001262056291 992641320 /nfs/dbraw/zinc/64/13/20/992641320.db2.gz KJXVNLDBCDAZGG-UHFFFAOYSA-N 1 2 230.283 1.020 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2[nH]c(C)c(C)[nH+]2)[nH]1 ZINC001262115847 992688267 /nfs/dbraw/zinc/68/82/67/992688267.db2.gz OBZTZOKHDGZFLU-UHFFFAOYSA-N 1 2 246.314 1.901 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC001262205075 992800729 /nfs/dbraw/zinc/80/07/29/992800729.db2.gz JTWNFPXDMJLMGY-UWVGGRQHSA-N 1 2 248.334 1.443 20 0 BDADLO C[C@@H](C(=O)N1CCCC(=O)[C@@H]1C)n1cc[nH+]c1 ZINC001262342843 992846982 /nfs/dbraw/zinc/84/69/82/992846982.db2.gz CQHPRZWXFXJXNL-UWVGGRQHSA-N 1 2 235.287 1.024 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])n1C ZINC001574426418 992857370 /nfs/dbraw/zinc/85/73/70/992857370.db2.gz GLAOGASFFQOJLG-MNOVXSKESA-N 1 2 237.303 1.071 20 0 BDADLO COc1ccc(CN2CCn3c[nH+]cc3C2)o1 ZINC001262371108 992864844 /nfs/dbraw/zinc/86/48/44/992864844.db2.gz APRWGCXZHSEMFZ-UHFFFAOYSA-N 1 2 233.271 1.501 20 0 BDADLO CCC[C@@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC001262377391 992869053 /nfs/dbraw/zinc/86/90/53/992869053.db2.gz ULUYLCFNOMODCO-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1N ZINC001575109076 992989278 /nfs/dbraw/zinc/98/92/78/992989278.db2.gz VNEXYJCUTPTXAW-NSHDSACASA-N 1 2 239.338 1.871 20 0 BDADLO Cc1cc(F)cc(N(C)CC(=O)NC2CC2)[nH+]1 ZINC001262676678 993018589 /nfs/dbraw/zinc/01/85/89/993018589.db2.gz LNEADINRXGRSAB-UHFFFAOYSA-N 1 2 237.278 1.244 20 0 BDADLO Nc1cc(N2CCc3ncsc3C2)[nH+]cn1 ZINC001262692188 993031936 /nfs/dbraw/zinc/03/19/36/993031936.db2.gz BGSZOVYNQGVMER-UHFFFAOYSA-N 1 2 233.300 1.078 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]1C(C)(C)C ZINC001262718029 993053296 /nfs/dbraw/zinc/05/32/96/993053296.db2.gz FBKNBFIDLHPUDS-SNVBAGLBSA-N 1 2 245.330 1.988 20 0 BDADLO COc1ncc(-c2c[nH+]c(N)c(C)c2)s1 ZINC000380069482 993311114 /nfs/dbraw/zinc/31/11/14/993311114.db2.gz CVIWXSKHLDIFCR-UHFFFAOYSA-N 1 2 221.285 1.935 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(CO)cc1 ZINC000380217702 993322638 /nfs/dbraw/zinc/32/26/38/993322638.db2.gz UACQFUBZGPYAEB-UHFFFAOYSA-N 1 2 245.282 1.140 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC(C)(C)C1(C)C ZINC001263757565 993489650 /nfs/dbraw/zinc/48/96/50/993489650.db2.gz YVDBUDYWFYBVAJ-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO CN(CCC1CC1)C(=O)CCc1[nH+]ccn1C ZINC001263769215 993499003 /nfs/dbraw/zinc/49/90/03/993499003.db2.gz UBGZUYUFXSCVMU-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001263808495 993532879 /nfs/dbraw/zinc/53/28/79/993532879.db2.gz DCMOVISOZMVHDW-DDFAGTSDSA-N 1 2 233.315 1.267 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc(F)ccc2F)C1 ZINC000384003983 993536968 /nfs/dbraw/zinc/53/69/68/993536968.db2.gz OXTVWSHDVDQRGN-JTQLQIEISA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc(F)ccc2F)C1 ZINC000384003983 993536980 /nfs/dbraw/zinc/53/69/80/993536980.db2.gz OXTVWSHDVDQRGN-JTQLQIEISA-N 1 2 243.253 1.674 20 0 BDADLO Cc1conc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001263909758 993594377 /nfs/dbraw/zinc/59/43/77/993594377.db2.gz FSPDGLFJLMSTRJ-VIFPVBQESA-N 1 2 234.259 1.057 20 0 BDADLO CC1=C(C(=O)NCCc2[nH+]ccn2C)CCC1 ZINC001263918414 993600567 /nfs/dbraw/zinc/60/05/67/993600567.db2.gz CBVHDDYEABNFDS-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001263921708 993606350 /nfs/dbraw/zinc/60/63/50/993606350.db2.gz CQACPCQSWDJQTM-RHYQMDGZSA-N 1 2 247.342 1.371 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001263921793 993607244 /nfs/dbraw/zinc/60/72/44/993607244.db2.gz GHBAMVGGFGMGEE-RYUDHWBXSA-N 1 2 247.342 1.515 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)/C=C\c1ccco1 ZINC001263972506 993634490 /nfs/dbraw/zinc/63/44/90/993634490.db2.gz JDKIBWHGAWDYAV-PLNGDYQASA-N 1 2 245.282 1.385 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2nccn2CC)cn1 ZINC000385412969 993660520 /nfs/dbraw/zinc/66/05/20/993660520.db2.gz YMJTWMHTCXVSAE-NSHDSACASA-N 1 2 247.346 1.970 20 0 BDADLO CC(C)[C@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC000387291147 993705975 /nfs/dbraw/zinc/70/59/75/993705975.db2.gz IEIUIHPXNQVTDH-LLVKDONJSA-N 1 2 223.320 1.576 20 0 BDADLO Cc1cc(C)nc(C[NH+]2CCC(O)CC2)n1 ZINC000700434933 993836022 /nfs/dbraw/zinc/83/60/22/993836022.db2.gz ZDUWSSYDDDOBLK-UHFFFAOYSA-N 1 2 221.304 1.050 20 0 BDADLO CC[C@H]1COCCN1Cc1c[nH+]c(C)[nH]1 ZINC000724783247 994075573 /nfs/dbraw/zinc/07/55/73/994075573.db2.gz YTUDIOSHFXJTAB-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@H]1COCCN1Cc1c[nH]c(C)[nH+]1 ZINC000724783247 994075582 /nfs/dbraw/zinc/07/55/82/994075582.db2.gz YTUDIOSHFXJTAB-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000724780586 994077465 /nfs/dbraw/zinc/07/74/65/994077465.db2.gz BSPQAQHPUTYSHA-DTORHVGOSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000724780586 994077471 /nfs/dbraw/zinc/07/74/71/994077471.db2.gz BSPQAQHPUTYSHA-DTORHVGOSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1csc(=O)[nH]1 ZINC001288770480 994480992 /nfs/dbraw/zinc/48/09/92/994480992.db2.gz IVPSXWQJZPZHMA-UHFFFAOYSA-N 1 2 249.295 1.535 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC001290606563 994547348 /nfs/dbraw/zinc/54/73/48/994547348.db2.gz NSWOXHKZBDOTDR-GFCCVEGCSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC001290606563 994547356 /nfs/dbraw/zinc/54/73/56/994547356.db2.gz NSWOXHKZBDOTDR-GFCCVEGCSA-N 1 2 244.298 1.596 20 0 BDADLO CCCn1cc(NC(=O)[C@H]2CC[N@@H+]2CC)cn1 ZINC001293955325 994676093 /nfs/dbraw/zinc/67/60/93/994676093.db2.gz GFJJCHFSTWUFTH-LLVKDONJSA-N 1 2 236.319 1.326 20 0 BDADLO CCCn1cc(NC(=O)[C@H]2CC[N@H+]2CC)cn1 ZINC001293955325 994676103 /nfs/dbraw/zinc/67/61/03/994676103.db2.gz GFJJCHFSTWUFTH-LLVKDONJSA-N 1 2 236.319 1.326 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(CCC2)C1 ZINC001294843116 994717318 /nfs/dbraw/zinc/71/73/18/994717318.db2.gz GASJHMQGPJIDNV-SNVBAGLBSA-N 1 2 233.315 1.601 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CCC2)C1 ZINC001294843116 994717327 /nfs/dbraw/zinc/71/73/27/994717327.db2.gz GASJHMQGPJIDNV-SNVBAGLBSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC/C=C\c1cccnc1 ZINC001298673866 994948343 /nfs/dbraw/zinc/94/83/43/994948343.db2.gz QHPYTXSGFQYTLJ-RQOWECAXSA-N 1 2 242.282 1.108 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001337235219 995149748 /nfs/dbraw/zinc/14/97/48/995149748.db2.gz DJEOWJZNWZHGIM-VXGBXAGGSA-N 1 2 249.314 1.040 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccnc1C1CC1 ZINC001304780894 995216041 /nfs/dbraw/zinc/21/60/41/995216041.db2.gz NFSPHMKATILDON-GFCCVEGCSA-N 1 2 245.326 1.992 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccnc1C1CC1 ZINC001304780894 995216050 /nfs/dbraw/zinc/21/60/50/995216050.db2.gz NFSPHMKATILDON-GFCCVEGCSA-N 1 2 245.326 1.992 20 0 BDADLO COCCCC[N@H+](C)[C@H](C)c1noc(C)n1 ZINC001307852842 995485561 /nfs/dbraw/zinc/48/55/61/995485561.db2.gz SODOVTMJKPYODW-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO COCCCC[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC001307852842 995485569 /nfs/dbraw/zinc/48/55/69/995485569.db2.gz SODOVTMJKPYODW-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)no1 ZINC000407949789 136207860 /nfs/dbraw/zinc/20/78/60/136207860.db2.gz OMKIYTOSEYYSLV-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)no1 ZINC000407949789 136207861 /nfs/dbraw/zinc/20/78/61/136207861.db2.gz OMKIYTOSEYYSLV-NXEZZACHSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@@H](O)[C@H](C)n1c2ccccc2[nH+]c1NCCO ZINC000268016282 538916155 /nfs/dbraw/zinc/91/61/55/538916155.db2.gz CIBVSJOFGNDFEN-VHSXEESVSA-N 1 2 249.314 1.382 20 0 BDADLO O=C(c1ccc[nH]1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000602127162 349456594 /nfs/dbraw/zinc/45/65/94/349456594.db2.gz JPBHHBVESYZDSK-UHFFFAOYSA-N 1 2 243.266 1.313 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1CC1 ZINC000287411826 398144146 /nfs/dbraw/zinc/14/41/46/398144146.db2.gz FGAUENVIKGXDBJ-UHFFFAOYSA-N 1 2 205.261 1.982 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@@H](C)CCO ZINC000649870778 398158665 /nfs/dbraw/zinc/15/86/65/398158665.db2.gz JIXKEEBALBDENI-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@@H](C)CCO ZINC000649870778 398158670 /nfs/dbraw/zinc/15/86/70/398158670.db2.gz JIXKEEBALBDENI-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333858 398150734 /nfs/dbraw/zinc/15/07/34/398150734.db2.gz HTVGTUHZPJWJIB-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333858 398150735 /nfs/dbraw/zinc/15/07/35/398150735.db2.gz HTVGTUHZPJWJIB-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000389950073 398150993 /nfs/dbraw/zinc/15/09/93/398150993.db2.gz WTUVWKUBXSYTEC-BQBZGAKWSA-N 1 2 229.292 1.053 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3n[nH]cc3C2)on1 ZINC000270560785 178004331 /nfs/dbraw/zinc/00/43/31/178004331.db2.gz UBDVNOBIYLGIKO-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1cc(C[N@H+]2CCc3n[nH]cc3C2)on1 ZINC000270560785 178004334 /nfs/dbraw/zinc/00/43/34/178004334.db2.gz UBDVNOBIYLGIKO-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000649871364 398154538 /nfs/dbraw/zinc/15/45/38/398154538.db2.gz ZBTYNNRXFCSMKJ-QMMMGPOBSA-N 1 2 241.360 1.618 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000649871364 398154539 /nfs/dbraw/zinc/15/45/39/398154539.db2.gz ZBTYNNRXFCSMKJ-QMMMGPOBSA-N 1 2 241.360 1.618 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)[C@H](C)CCO ZINC000649869750 398155367 /nfs/dbraw/zinc/15/53/67/398155367.db2.gz LKISENXJLMVKKN-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)[C@H](C)CCO ZINC000649869750 398155371 /nfs/dbraw/zinc/15/53/71/398155371.db2.gz LKISENXJLMVKKN-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H](C)CCO)s1 ZINC000649870137 398156777 /nfs/dbraw/zinc/15/67/77/398156777.db2.gz VTVDVXLWUCTEHG-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H](C)CCO)s1 ZINC000649870137 398156779 /nfs/dbraw/zinc/15/67/79/398156779.db2.gz VTVDVXLWUCTEHG-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1cc(CNCc2cn3ccccc3[nH+]2)no1 ZINC000044296464 178025788 /nfs/dbraw/zinc/02/57/88/178025788.db2.gz HBZLAKSVNANXAJ-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C(C)C)nn2)on1 ZINC000310245081 178027305 /nfs/dbraw/zinc/02/73/05/178027305.db2.gz UTIFPIXHLLWQBW-UHFFFAOYSA-N 1 2 235.291 1.445 20 0 BDADLO CO[C@@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000563425790 398170845 /nfs/dbraw/zinc/17/08/45/398170845.db2.gz RKTMXVVRFJMTAP-VIFPVBQESA-N 1 2 209.293 1.565 20 0 BDADLO CCC(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355073543 168337900 /nfs/dbraw/zinc/33/79/00/168337900.db2.gz BESWNFMPZQPALG-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355073543 168337903 /nfs/dbraw/zinc/33/79/03/168337903.db2.gz BESWNFMPZQPALG-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC1CCCC1 ZINC000158626235 398172517 /nfs/dbraw/zinc/17/25/17/398172517.db2.gz YZLHXENZLMQAHE-BQYQJAHWSA-N 1 2 233.315 1.975 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)n1C ZINC000649903687 398173788 /nfs/dbraw/zinc/17/37/88/398173788.db2.gz TUZSKIWWJXIZLG-SNVBAGLBSA-N 1 2 242.273 1.355 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)n1C ZINC000649903687 398173794 /nfs/dbraw/zinc/17/37/94/398173794.db2.gz TUZSKIWWJXIZLG-SNVBAGLBSA-N 1 2 242.273 1.355 20 0 BDADLO CO[C@H](C)CCNc1nc[nH+]c(N)c1Cl ZINC000277394794 398173955 /nfs/dbraw/zinc/17/39/55/398173955.db2.gz JKZUEFUWOYEQDV-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO CO[C@H](C)CCNc1[nH+]cnc(N)c1Cl ZINC000277394794 398173958 /nfs/dbraw/zinc/17/39/58/398173958.db2.gz JKZUEFUWOYEQDV-ZCFIWIBFSA-N 1 2 230.699 1.549 20 0 BDADLO COCC1CC[NH+](Cc2noc(C)n2)CC1 ZINC000112354829 136216219 /nfs/dbraw/zinc/21/62/19/136216219.db2.gz LERPGLIKBAUVJD-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO CSCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000072052477 398174663 /nfs/dbraw/zinc/17/46/63/398174663.db2.gz HHWLLDYDBFCCPO-UHFFFAOYSA-N 1 2 239.344 1.410 20 0 BDADLO c1nn[nH]c1CC[NH+]1CCc2ccccc2CC1 ZINC000647964524 398177901 /nfs/dbraw/zinc/17/79/01/398177901.db2.gz NCKKDFPRFPMWDQ-UHFFFAOYSA-N 1 2 242.326 1.448 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1csnn1)C2 ZINC000649908154 398183882 /nfs/dbraw/zinc/18/38/82/398183882.db2.gz IHQRDHLWWPLXOK-QMMMGPOBSA-N 1 2 231.271 1.769 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1csnn1)C2 ZINC000649908154 398183884 /nfs/dbraw/zinc/18/38/84/398183884.db2.gz IHQRDHLWWPLXOK-QMMMGPOBSA-N 1 2 231.271 1.769 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649908669 398183943 /nfs/dbraw/zinc/18/39/43/398183943.db2.gz UHXMMIZCKGLLER-OIBJUYFYSA-N 1 2 242.273 1.905 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649908669 398183944 /nfs/dbraw/zinc/18/39/44/398183944.db2.gz UHXMMIZCKGLLER-OIBJUYFYSA-N 1 2 242.273 1.905 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1nccs1 ZINC000379667933 398160858 /nfs/dbraw/zinc/16/08/58/398160858.db2.gz ZGLDYWFAFXTSOY-UHFFFAOYSA-N 1 2 226.330 1.593 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC000649883438 398162520 /nfs/dbraw/zinc/16/25/20/398162520.db2.gz RYHSTSDESNGJBN-ZDUSSCGKSA-N 1 2 235.331 1.594 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CCC1CC1 ZINC000649883438 398162526 /nfs/dbraw/zinc/16/25/26/398162526.db2.gz RYHSTSDESNGJBN-ZDUSSCGKSA-N 1 2 235.331 1.594 20 0 BDADLO C[N@@H+]1CCc2ncnc(N3CC[C@H]3C3CC3)c2C1 ZINC000450640924 398163814 /nfs/dbraw/zinc/16/38/14/398163814.db2.gz DRBOJGRMCKWDHM-ZDUSSCGKSA-N 1 2 244.342 1.453 20 0 BDADLO C[N@H+]1CCc2ncnc(N3CC[C@H]3C3CC3)c2C1 ZINC000450640924 398163818 /nfs/dbraw/zinc/16/38/18/398163818.db2.gz DRBOJGRMCKWDHM-ZDUSSCGKSA-N 1 2 244.342 1.453 20 0 BDADLO Cc1cc(N)nc(SCC[C@@H](C)O)[nH+]1 ZINC000133857163 178109395 /nfs/dbraw/zinc/10/93/95/178109395.db2.gz ANCOHHQMYBPQKU-SSDOTTSWSA-N 1 2 213.306 1.230 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371279143 168339641 /nfs/dbraw/zinc/33/96/41/168339641.db2.gz GIUBPCICTYCWHZ-JTQLQIEISA-N 1 2 235.331 1.819 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371279143 168339642 /nfs/dbraw/zinc/33/96/42/168339642.db2.gz GIUBPCICTYCWHZ-JTQLQIEISA-N 1 2 235.331 1.819 20 0 BDADLO Cc1cc(N2CC(F)(F)C(F)(F)C2)nc[nH+]1 ZINC000334250903 178113430 /nfs/dbraw/zinc/11/34/30/178113430.db2.gz ZOTRPSKUSBGWJQ-UHFFFAOYSA-N 1 2 235.184 1.876 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000342709904 365556703 /nfs/dbraw/zinc/55/67/03/365556703.db2.gz NUKNMJHVTWSYKH-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)nc[nH+]1 ZINC000301404936 178119268 /nfs/dbraw/zinc/11/92/68/178119268.db2.gz TUDWYCHHCGXXQY-SECBINFHSA-N 1 2 247.220 1.289 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000189620093 178120451 /nfs/dbraw/zinc/12/04/51/178120451.db2.gz QKDKRMZLIRFUIK-SKDRFNHKSA-N 1 2 247.342 1.727 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000357676811 178121245 /nfs/dbraw/zinc/12/12/45/178121245.db2.gz VSUCIEBMMQHCFK-CMPLNLGQSA-N 1 2 249.358 1.973 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000351504116 178121525 /nfs/dbraw/zinc/12/15/25/178121525.db2.gz ZSKVGVIIVUGXJW-KOLCDFICSA-N 1 2 235.331 1.725 20 0 BDADLO Cc1cc(N2C[C@@H]3COC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000367421083 178121985 /nfs/dbraw/zinc/12/19/85/178121985.db2.gz XYZMJMSVFGZPCF-TXEJJXNPSA-N 1 2 245.326 1.745 20 0 BDADLO COC(=O)[C@H](C)N(C)c1cc[nH+]c(C)c1 ZINC000261129385 398205387 /nfs/dbraw/zinc/20/53/87/398205387.db2.gz JTQJORJGGJAJJJ-VIFPVBQESA-N 1 2 208.261 1.388 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC000649989523 398209568 /nfs/dbraw/zinc/20/95/68/398209568.db2.gz LXXXVLYDZDMIJB-ZMLRMANQSA-N 1 2 233.315 1.749 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@@H]2CCOC2)cc[nH+]1 ZINC000119522665 178135987 /nfs/dbraw/zinc/13/59/87/178135987.db2.gz HVOUVWOJQWFEDB-LLVKDONJSA-N 1 2 235.287 1.643 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000297666505 178137370 /nfs/dbraw/zinc/13/73/70/178137370.db2.gz FPMXWROKQFYVPD-ZYHUDNBSSA-N 1 2 249.314 1.767 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H](CO)C2)cc[nH+]1 ZINC000119449863 178137548 /nfs/dbraw/zinc/13/75/48/178137548.db2.gz WMCMUSJCONHNQS-NSHDSACASA-N 1 2 249.314 1.626 20 0 BDADLO Cc1cc(NC(=O)N2CCO[C@H](C)C2)cc[nH+]1 ZINC000179805094 178138069 /nfs/dbraw/zinc/13/80/69/178138069.db2.gz OVIJLVNUVSBEKW-SNVBAGLBSA-N 1 2 235.287 1.643 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)[C@@H](C)CO)cc[nH+]1 ZINC000271061972 178142691 /nfs/dbraw/zinc/14/26/91/178142691.db2.gz KVTHEMJHXHAKSW-WCBMZHEXSA-N 1 2 237.303 1.528 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nnn1CC1CC1 ZINC000649417239 398217465 /nfs/dbraw/zinc/21/74/65/398217465.db2.gz GSBLCMPMWXWRSI-UHFFFAOYSA-N 1 2 218.304 1.450 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nnn1CC1CC1 ZINC000649417239 398217470 /nfs/dbraw/zinc/21/74/70/398217470.db2.gz GSBLCMPMWXWRSI-UHFFFAOYSA-N 1 2 218.304 1.450 20 0 BDADLO Cc1cc(NC(=O)c2cnn3c2CCC3)cc[nH+]1 ZINC000294997269 178151950 /nfs/dbraw/zinc/15/19/50/178151950.db2.gz VJDLFUAZNGMARL-UHFFFAOYSA-N 1 2 242.282 1.785 20 0 BDADLO Cc1cc(NCCNC(=O)C(C)(C)C)nc[nH+]1 ZINC000301231164 178162122 /nfs/dbraw/zinc/16/21/22/178162122.db2.gz IYLCFVKKRJLYCZ-UHFFFAOYSA-N 1 2 236.319 1.359 20 0 BDADLO Cc1cc(NCCc2cnccn2)nc[nH+]1 ZINC000309621404 178162905 /nfs/dbraw/zinc/16/29/05/178162905.db2.gz DJSTVRPOAWGCCP-UHFFFAOYSA-N 1 2 215.260 1.230 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncncc1Cl ZINC000163600289 538929592 /nfs/dbraw/zinc/92/95/92/538929592.db2.gz FUTBNXOFBRAWCB-QMMMGPOBSA-N 1 2 237.694 1.827 20 0 BDADLO Cc1cc(NC[C@H](C)CO)nc(C2CC2)[nH+]1 ZINC000265320677 178169232 /nfs/dbraw/zinc/16/92/32/178169232.db2.gz DXUXGNLEIMXULT-QMMMGPOBSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000301232086 178169265 /nfs/dbraw/zinc/16/92/65/178169265.db2.gz JORLQXVIIUBZNE-JTQLQIEISA-N 1 2 231.303 1.730 20 0 BDADLO Cc1cc(NC[C@]2(O)CCSC2)nc[nH+]1 ZINC000301469718 178169716 /nfs/dbraw/zinc/16/97/16/178169716.db2.gz IGCSWGDULZHSTN-SNVBAGLBSA-N 1 2 225.317 1.065 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@H](F)C2)c1Cl ZINC000649419716 398220668 /nfs/dbraw/zinc/22/06/68/398220668.db2.gz MBHFXXKVRNLRDH-YFKPBYRVSA-N 1 2 216.647 1.260 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@H](F)C2)c1Cl ZINC000649419716 398220672 /nfs/dbraw/zinc/22/06/72/398220672.db2.gz MBHFXXKVRNLRDH-YFKPBYRVSA-N 1 2 216.647 1.260 20 0 BDADLO Cc1cc(NCc2cnn(C)n2)ccc1[NH+](C)C ZINC000293232342 178174933 /nfs/dbraw/zinc/17/49/33/178174933.db2.gz KTASHJHZGVKESZ-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1cc(N[C@@H](CO)c2ccccc2)nc[nH+]1 ZINC000063001736 178179658 /nfs/dbraw/zinc/17/96/58/178179658.db2.gz QDTPMJHGADYYOG-LBPRGKRZSA-N 1 2 229.283 1.931 20 0 BDADLO Cc1cc(N[C@@H](C)c2ncnn2C)nc[nH+]1 ZINC000309769243 178179855 /nfs/dbraw/zinc/17/98/55/178179855.db2.gz KCPLAFZVRWPENV-QMMMGPOBSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C2CCC2)o1 ZINC000628322280 398223273 /nfs/dbraw/zinc/22/32/73/398223273.db2.gz MGZJLWFXFOGWNI-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C2CCC2)o1 ZINC000628322280 398223274 /nfs/dbraw/zinc/22/32/74/398223274.db2.gz MGZJLWFXFOGWNI-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000301347267 178188985 /nfs/dbraw/zinc/18/89/85/178188985.db2.gz HLYDKMBZSXKMNL-ZJUUUORDSA-N 1 2 234.303 1.241 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276480488 538932470 /nfs/dbraw/zinc/93/24/70/538932470.db2.gz RUVGISWGXHRSDF-DTWKUNHWSA-N 1 2 207.277 1.115 20 0 BDADLO CN(CC1(C)COC1)c1cc[nH+]c(C2CC2)n1 ZINC000624528449 343987603 /nfs/dbraw/zinc/98/76/03/343987603.db2.gz WRJAQSAKFCKIRO-UHFFFAOYSA-N 1 2 233.315 1.827 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276480488 538932468 /nfs/dbraw/zinc/93/24/68/538932468.db2.gz RUVGISWGXHRSDF-DTWKUNHWSA-N 1 2 207.277 1.115 20 0 BDADLO Cc1ncsc1C[NH+]1CCC(=O)CC1 ZINC000070837054 361781580 /nfs/dbraw/zinc/78/15/80/361781580.db2.gz HCWOZAFYIBOEAK-UHFFFAOYSA-N 1 2 210.302 1.616 20 0 BDADLO CCCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000334184608 136223936 /nfs/dbraw/zinc/22/39/36/136223936.db2.gz DTIYYXXGTDAJJG-UHFFFAOYSA-N 1 2 217.272 1.816 20 0 BDADLO Cc1nc(N2CCC[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631234016 361777978 /nfs/dbraw/zinc/77/79/78/361777978.db2.gz VGIUXPHBNPKDNX-JTQLQIEISA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](C(C)C)C2)[nH+]1 ZINC000631234016 361777989 /nfs/dbraw/zinc/77/79/89/361777989.db2.gz VGIUXPHBNPKDNX-JTQLQIEISA-N 1 2 235.335 1.465 20 0 BDADLO OCCC1CCN(c2cccc[nH+]2)CC1 ZINC000400912143 259303603 /nfs/dbraw/zinc/30/36/03/259303603.db2.gz BGESDEYQOCYEFS-UHFFFAOYSA-N 1 2 206.289 1.680 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000280005892 538936582 /nfs/dbraw/zinc/93/65/82/538936582.db2.gz SLPAKBYGKXUWRY-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000280005892 538936583 /nfs/dbraw/zinc/93/65/83/538936583.db2.gz SLPAKBYGKXUWRY-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C(=C/c1ccncc1)\C[N@@H+]1CCn2ccnc2C1 ZINC000334494412 136225953 /nfs/dbraw/zinc/22/59/53/136225953.db2.gz RNRVXKHXHKJLIP-OWOJBTEDSA-N 1 2 240.310 1.807 20 0 BDADLO C(=C/c1ccncc1)\C[N@H+]1CCn2ccnc2C1 ZINC000334494412 136225954 /nfs/dbraw/zinc/22/59/54/136225954.db2.gz RNRVXKHXHKJLIP-OWOJBTEDSA-N 1 2 240.310 1.807 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CCOC2=O)s1 ZINC000076342506 398236394 /nfs/dbraw/zinc/23/63/94/398236394.db2.gz VWNSOAKBUDWWTG-JTQLQIEISA-N 1 2 225.313 1.804 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CCOC2=O)s1 ZINC000076342506 398236396 /nfs/dbraw/zinc/23/63/96/398236396.db2.gz VWNSOAKBUDWWTG-JTQLQIEISA-N 1 2 225.313 1.804 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)no1 ZINC000281946092 178245128 /nfs/dbraw/zinc/24/51/28/178245128.db2.gz BTSUDIGVXOSUNQ-VIFPVBQESA-N 1 2 225.292 1.158 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H]2CCC[C@H]21 ZINC000280619752 538937591 /nfs/dbraw/zinc/93/75/91/538937591.db2.gz PJQDGZLHEZTIBD-NEPJUHHUSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H]2CCC[C@H]21 ZINC000280619752 538937592 /nfs/dbraw/zinc/93/75/92/538937592.db2.gz PJQDGZLHEZTIBD-NEPJUHHUSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCCC(F)(F)F ZINC000279710553 538935932 /nfs/dbraw/zinc/93/59/32/538935932.db2.gz AJUQTRKJHBKPJF-UHFFFAOYSA-N 1 2 249.236 1.801 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCCC(F)(F)F ZINC000279710553 538935933 /nfs/dbraw/zinc/93/59/33/538935933.db2.gz AJUQTRKJHBKPJF-UHFFFAOYSA-N 1 2 249.236 1.801 20 0 BDADLO CC[C@H](Nc1nnc(C)c(C)n1)c1[nH]cc[nH+]1 ZINC000165337448 136226739 /nfs/dbraw/zinc/22/67/39/136226739.db2.gz GFWQVSPSRSBLLB-VIFPVBQESA-N 1 2 232.291 1.775 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)no1 ZINC000336631899 178258782 /nfs/dbraw/zinc/25/87/82/178258782.db2.gz GGUFQVZYKYJBDJ-UWVGGRQHSA-N 1 2 237.303 1.254 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cn(C)nn2)on1 ZINC000336783733 178266629 /nfs/dbraw/zinc/26/66/29/178266629.db2.gz BTBAOPWJSZFJOE-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cn(C)nn2)on1 ZINC000336783733 178266633 /nfs/dbraw/zinc/26/66/33/178266633.db2.gz BTBAOPWJSZFJOE-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cccc(CCNc2cnccn2)[nH+]1 ZINC000281616119 538938941 /nfs/dbraw/zinc/93/89/41/538938941.db2.gz ZPUXOTXTPUJDRC-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1F ZINC000076418263 398239668 /nfs/dbraw/zinc/23/96/68/398239668.db2.gz YVJWFBREORQISA-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1F ZINC000076418263 398239670 /nfs/dbraw/zinc/23/96/70/398239670.db2.gz YVJWFBREORQISA-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281617737 538939202 /nfs/dbraw/zinc/93/92/02/538939202.db2.gz PBNHCYWZZUNGDA-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281617737 538939204 /nfs/dbraw/zinc/93/92/04/538939204.db2.gz PBNHCYWZZUNGDA-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000645398437 398242338 /nfs/dbraw/zinc/24/23/38/398242338.db2.gz RCGSMNBEONTEHI-GARJFASQSA-N 1 2 247.346 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000645398437 398242340 /nfs/dbraw/zinc/24/23/40/398242340.db2.gz RCGSMNBEONTEHI-GARJFASQSA-N 1 2 247.346 1.268 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCC(C)(C)C ZINC000576478981 365607257 /nfs/dbraw/zinc/60/72/57/365607257.db2.gz JEIFFUNLQCLIRN-UHFFFAOYSA-N 1 2 234.307 1.234 20 0 BDADLO C[N@@H+](Cc1cncs1)C[C@H](O)C(F)(F)F ZINC000349373893 398245308 /nfs/dbraw/zinc/24/53/08/398245308.db2.gz XNOPSKCOTRZESU-ZETCQYMHSA-N 1 2 240.250 1.498 20 0 BDADLO C[N@H+](Cc1cncs1)C[C@H](O)C(F)(F)F ZINC000349373893 398245312 /nfs/dbraw/zinc/24/53/12/398245312.db2.gz XNOPSKCOTRZESU-ZETCQYMHSA-N 1 2 240.250 1.498 20 0 BDADLO Cc1c(CNc2cc(C)[nH+]cn2)cnn1C ZINC000230145851 136227957 /nfs/dbraw/zinc/22/79/57/136227957.db2.gz VWVNZPATCJFSKX-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO C[C@@H](NC(=O)CC1(O)CCCC1)c1[nH]cc[nH+]1 ZINC000580901798 398250671 /nfs/dbraw/zinc/25/06/71/398250671.db2.gz BUJCDGSUNZGKBK-SECBINFHSA-N 1 2 237.303 1.282 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccco2)n(C)n1 ZINC000417678325 398251240 /nfs/dbraw/zinc/25/12/40/398251240.db2.gz BPBUFAIUDMMIBO-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccco2)n(C)n1 ZINC000417678325 398251242 /nfs/dbraw/zinc/25/12/42/398251242.db2.gz BPBUFAIUDMMIBO-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc[nH]c1C(=O)NCc1[nH]c[nH+]c1C ZINC000336542565 178313908 /nfs/dbraw/zinc/31/39/08/178313908.db2.gz SSMRSVDCORTHCT-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO CCCCCS(=O)(=O)NCc1c[nH+]cn1C ZINC000289274306 538945518 /nfs/dbraw/zinc/94/55/18/538945518.db2.gz AFZISWCKOFHWDO-UHFFFAOYSA-N 1 2 245.348 1.030 20 0 BDADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000290562929 538946984 /nfs/dbraw/zinc/94/69/84/538946984.db2.gz WDURUYWXCQLFKR-MRVPVSSYSA-N 1 2 222.292 1.018 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)n1C ZINC000291193468 538947766 /nfs/dbraw/zinc/94/77/66/538947766.db2.gz KQXYJQZIECNYLT-UHFFFAOYSA-N 1 2 246.314 1.305 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC=CCC1 ZINC000291464120 538948225 /nfs/dbraw/zinc/94/82/25/538948225.db2.gz OMJBKGMXGTUJLT-SNVBAGLBSA-N 1 2 219.288 1.393 20 0 BDADLO CCC[C@H](C[N@H+](CC(=O)OCC)C1CC1)OC ZINC000602449504 349551204 /nfs/dbraw/zinc/55/12/04/349551204.db2.gz RXLXQWAFMOZLGG-GFCCVEGCSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@H](C[N@@H+](CC(=O)OCC)C1CC1)OC ZINC000602449504 349551207 /nfs/dbraw/zinc/55/12/07/349551207.db2.gz RXLXQWAFMOZLGG-GFCCVEGCSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(=O)[nH]c1)C(C)C ZINC000602443596 349544989 /nfs/dbraw/zinc/54/49/89/349544989.db2.gz GGRFHANWWXYZLB-UHFFFAOYSA-N 1 2 238.287 1.171 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(=O)[nH]c1)C(C)C ZINC000602443596 349544991 /nfs/dbraw/zinc/54/49/91/349544991.db2.gz GGRFHANWWXYZLB-UHFFFAOYSA-N 1 2 238.287 1.171 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000291484267 538947873 /nfs/dbraw/zinc/94/78/73/538947873.db2.gz QLVXZCKXJWMOMD-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1C ZINC000070980968 178380089 /nfs/dbraw/zinc/38/00/89/178380089.db2.gz IXTTYSZIXDONJJ-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO CC(C)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000335084795 136232672 /nfs/dbraw/zinc/23/26/72/136232672.db2.gz LWPQGJDHUDOUML-NSHDSACASA-N 1 2 206.289 1.943 20 0 BDADLO Cc1cnc(NCc2c[nH+]cn2C)s1 ZINC000185855422 398269442 /nfs/dbraw/zinc/26/94/42/398269442.db2.gz QLYRKTHIUPQAFP-UHFFFAOYSA-N 1 2 208.290 1.797 20 0 BDADLO CC(C)c1nc(NC[C@@]2(O)CCOC2)cc[nH+]1 ZINC000178962061 538954526 /nfs/dbraw/zinc/95/45/26/538954526.db2.gz MDELMNDAHZJOCH-LBPRGKRZSA-N 1 2 237.303 1.163 20 0 BDADLO O=C1C[N@H+](Cc2coc3ccccc23)CCN1 ZINC000179592706 538955518 /nfs/dbraw/zinc/95/55/18/538955518.db2.gz UQDFFRFNPFVTHR-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO O=C1C[N@@H+](Cc2coc3ccccc23)CCN1 ZINC000179592706 538955519 /nfs/dbraw/zinc/95/55/19/538955519.db2.gz UQDFFRFNPFVTHR-UHFFFAOYSA-N 1 2 230.267 1.365 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCc1ccco1 ZINC000620365659 344000762 /nfs/dbraw/zinc/00/07/62/344000762.db2.gz OTHDAKSXWDKOHP-UHFFFAOYSA-N 1 2 247.298 1.603 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCCc1ccco1 ZINC000620365659 344000764 /nfs/dbraw/zinc/00/07/64/344000764.db2.gz OTHDAKSXWDKOHP-UHFFFAOYSA-N 1 2 247.298 1.603 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000334666586 398272548 /nfs/dbraw/zinc/27/25/48/398272548.db2.gz OTTPWGKNPLKING-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000334666586 398272551 /nfs/dbraw/zinc/27/25/51/398272551.db2.gz OTTPWGKNPLKING-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cn1 ZINC000042535287 178420349 /nfs/dbraw/zinc/42/03/49/178420349.db2.gz FFCYSTAWVYFCEV-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO Cc1c[nH]c(CN2CC[S@](=O)[C@H](C)[C@H]2C)[nH+]1 ZINC000600117433 342674088 /nfs/dbraw/zinc/67/40/88/342674088.db2.gz SXHUXYPRVNZEKO-LYGAQUJYSA-N 1 2 241.360 1.059 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000600111176 342670269 /nfs/dbraw/zinc/67/02/69/342670269.db2.gz GFHBPZNLXGCYIA-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000600111176 342670270 /nfs/dbraw/zinc/67/02/70/342670270.db2.gz GFHBPZNLXGCYIA-UHFFFAOYSA-N 1 2 232.283 1.773 20 0 BDADLO O=C(CC(F)(F)F)NCCCn1cc[nH+]c1 ZINC000044596802 342690806 /nfs/dbraw/zinc/69/08/06/342690806.db2.gz QYLARYQVCDJNGK-UHFFFAOYSA-N 1 2 235.209 1.342 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnc(C)o1 ZINC000600150805 342691371 /nfs/dbraw/zinc/69/13/71/342691371.db2.gz LHVNZVTYUJWIHD-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnc(C)o1 ZINC000600150805 342691373 /nfs/dbraw/zinc/69/13/73/342691373.db2.gz LHVNZVTYUJWIHD-LBPRGKRZSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1cccc2n[nH]cc21 ZINC000600151821 342691469 /nfs/dbraw/zinc/69/14/69/342691469.db2.gz QTQAZUXSDAVVIX-QMMMGPOBSA-N 1 2 233.271 1.214 20 0 BDADLO Cc1c[nH]c(CN[C@@H](C)C(=O)OC(C)C)[nH+]1 ZINC000600170535 342695098 /nfs/dbraw/zinc/69/50/98/342695098.db2.gz YMTDSQFQKCSYRX-VIFPVBQESA-N 1 2 225.292 1.148 20 0 BDADLO CC[C@](C)(C[NH2+][C@H](C(=O)OC)C(C)(C)C)OC ZINC000602589410 349613576 /nfs/dbraw/zinc/61/35/76/349613576.db2.gz DGBQWPKNWGFIEB-ZWNOBZJWSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@](C)(C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000602589406 349613706 /nfs/dbraw/zinc/61/37/06/349613706.db2.gz DGBQWPKNWGFIEB-GXFFZTMASA-N 1 2 245.363 1.979 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ccno2)cn1 ZINC000231882510 342742830 /nfs/dbraw/zinc/74/28/30/342742830.db2.gz JMDYOADWDNGYBS-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO Cn1c[nH+]cc1CNc1c2c(ccc1F)OCO2 ZINC000634571505 342746725 /nfs/dbraw/zinc/74/67/25/342746725.db2.gz OXZFDSYQXARMDN-UHFFFAOYSA-N 1 2 249.245 1.900 20 0 BDADLO CCc1cc(NC[C@]2(C)CCOC2)nc[nH+]1 ZINC000309632388 342761188 /nfs/dbraw/zinc/76/11/88/342761188.db2.gz IERLGFWAOHSMOK-LBPRGKRZSA-N 1 2 221.304 1.878 20 0 BDADLO CCc1cc(NCC2(CC)COC2)nc[nH+]1 ZINC000649486790 398284376 /nfs/dbraw/zinc/28/43/76/398284376.db2.gz SQEDNGBSBUJKQQ-UHFFFAOYSA-N 1 2 221.304 1.299 20 0 BDADLO Nc1nc(N)c2c(cccc2C(F)(F)F)[nH+]1 ZINC000005387448 342763053 /nfs/dbraw/zinc/76/30/53/342763053.db2.gz BKZKSEVOJGEMSX-UHFFFAOYSA-N 1 2 228.177 1.813 20 0 BDADLO Cc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c(C)c1 ZINC000634583440 342801728 /nfs/dbraw/zinc/80/17/28/342801728.db2.gz WKAKHCSOMQOYHY-LLVKDONJSA-N 1 2 243.310 1.616 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)ccn1 ZINC000630019098 361900878 /nfs/dbraw/zinc/90/08/78/361900878.db2.gz RZOPPZWAQUVVTR-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)ccn1 ZINC000630019098 361900882 /nfs/dbraw/zinc/90/08/82/361900882.db2.gz RZOPPZWAQUVVTR-QMMMGPOBSA-N 1 2 248.261 1.761 20 0 BDADLO CC1(O)C[NH+](Cc2cc3ccccc3o2)C1 ZINC000639254112 398285770 /nfs/dbraw/zinc/28/57/70/398285770.db2.gz KUVYRSUEFZNEGC-UHFFFAOYSA-N 1 2 217.268 1.999 20 0 BDADLO CC[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580996 342796324 /nfs/dbraw/zinc/79/63/24/342796324.db2.gz OHLKWOQCRBYMFK-QWRGUYRKSA-N 1 2 242.269 1.690 20 0 BDADLO Cc1cc(N2CCO[C@H](CCF)C2)nc[nH+]1 ZINC000624651447 342808335 /nfs/dbraw/zinc/80/83/35/342808335.db2.gz AVNFJUSPKWGSAJ-SNVBAGLBSA-N 1 2 225.267 1.350 20 0 BDADLO C/C=C/CNc1cc(NC/C=C\C)nc[nH+]1 ZINC000624656677 342810385 /nfs/dbraw/zinc/81/03/85/342810385.db2.gz YHDHYXLWQOSBJR-CIIODKQPSA-N 1 2 218.304 1.875 20 0 BDADLO C/C=C/CNc1cc(NC/C=C\C)[nH+]cn1 ZINC000624656677 342810386 /nfs/dbraw/zinc/81/03/86/342810386.db2.gz YHDHYXLWQOSBJR-CIIODKQPSA-N 1 2 218.304 1.875 20 0 BDADLO O[C@H]1C[C@@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000624666275 342813406 /nfs/dbraw/zinc/81/34/06/342813406.db2.gz UEAYHMFAPHHDLN-KLPPZKSPSA-N 1 2 228.295 1.840 20 0 BDADLO O[C@H]1C[C@@H](C[NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000624666283 342813436 /nfs/dbraw/zinc/81/34/36/342813436.db2.gz UIPRRKCLBSKIQV-DTORHVGOSA-N 1 2 217.272 1.168 20 0 BDADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]C[C@H]1C[C@@H](O)C1 ZINC000624667533 342814105 /nfs/dbraw/zinc/81/41/05/342814105.db2.gz UURZURRHBVAANM-WAAGHKOSSA-N 1 2 249.289 1.317 20 0 BDADLO CCCCOCC[NH2+]Cc1cn[nH]c1C ZINC000040506801 344003585 /nfs/dbraw/zinc/00/35/85/344003585.db2.gz DMYMYHLIQFWQOZ-UHFFFAOYSA-N 1 2 211.309 1.624 20 0 BDADLO c1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000624673552 342817294 /nfs/dbraw/zinc/81/72/94/342817294.db2.gz LEICSNJQTIFGPP-RYUDHWBXSA-N 1 2 245.326 1.755 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624728281 342822850 /nfs/dbraw/zinc/82/28/50/342822850.db2.gz VTRWGUGPXXKPLQ-MGCOHNPYSA-N 1 2 234.303 1.640 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000624728281 342822851 /nfs/dbraw/zinc/82/28/51/342822851.db2.gz VTRWGUGPXXKPLQ-MGCOHNPYSA-N 1 2 234.303 1.640 20 0 BDADLO COCCN(C)c1ccc(-c2[nH+]ccn2C)cn1 ZINC000630053598 361923643 /nfs/dbraw/zinc/92/36/43/361923643.db2.gz WRMTVIACSAPRQN-UHFFFAOYSA-N 1 2 246.314 1.565 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000624756297 342825065 /nfs/dbraw/zinc/82/50/65/342825065.db2.gz YRLPTMUQAGRACS-PHIMTYICSA-N 1 2 243.310 1.889 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000187678901 538976664 /nfs/dbraw/zinc/97/66/64/538976664.db2.gz JXDQCNUQIYIGKI-XROYCOCOSA-N 1 2 223.320 1.528 20 0 BDADLO COc1ccc2[nH+]c(N3CC(CO)C3)ccc2c1 ZINC000192181254 538993956 /nfs/dbraw/zinc/99/39/56/538993956.db2.gz CNIQSTYJQHHBIU-UHFFFAOYSA-N 1 2 244.294 1.672 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccoc1 ZINC000380267973 538988201 /nfs/dbraw/zinc/98/82/01/538988201.db2.gz UXCWJGNIBDTLAB-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000188851730 538979872 /nfs/dbraw/zinc/97/98/72/538979872.db2.gz YELDRMGIPRVZII-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000188851730 538979873 /nfs/dbraw/zinc/97/98/73/538979873.db2.gz YELDRMGIPRVZII-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1cc(N[C@@H](CO)CC2CC2)nc[nH+]1 ZINC000379913803 538981316 /nfs/dbraw/zinc/98/13/16/538981316.db2.gz AMNCULSEJZAAIY-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H]1CCCC1(F)F ZINC000380012106 538983795 /nfs/dbraw/zinc/98/37/95/538983795.db2.gz SAKSBUQQJIBRMS-SECBINFHSA-N 1 2 215.247 1.996 20 0 BDADLO CCCc1cc(NC(=O)CCc2c[nH+]c[nH]2)n[nH]1 ZINC000193212891 539003141 /nfs/dbraw/zinc/00/31/41/539003141.db2.gz RSBWVQAHHLHUAM-UHFFFAOYSA-N 1 2 247.302 1.657 20 0 BDADLO CCCc1cc(NC(=O)CCc2c[nH]c[nH+]2)n[nH]1 ZINC000193212891 539003142 /nfs/dbraw/zinc/00/31/42/539003142.db2.gz RSBWVQAHHLHUAM-UHFFFAOYSA-N 1 2 247.302 1.657 20 0 BDADLO COCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000624942315 342838759 /nfs/dbraw/zinc/83/87/59/342838759.db2.gz AATFPJRYFYNTMN-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CC(C)[C@H](NC(=O)[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000640724942 361963128 /nfs/dbraw/zinc/96/31/28/361963128.db2.gz MASVEYGPELUCIL-UTLUCORTSA-N 1 2 221.304 1.879 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C12CC(C1)C2 ZINC000624950450 342838980 /nfs/dbraw/zinc/83/89/80/342838980.db2.gz HCCGFLFHBONSEC-UHFFFAOYSA-N 1 2 218.256 1.829 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000624865874 342835518 /nfs/dbraw/zinc/83/55/18/342835518.db2.gz ZOLFLEGUDPHSTJ-NSHDSACASA-N 1 2 235.331 1.622 20 0 BDADLO O=C(C[NH2+]Cc1cocn1)Nc1ccc(F)cc1 ZINC000192300959 538994352 /nfs/dbraw/zinc/99/43/52/538994352.db2.gz PTXKPDQZJZGWMF-UHFFFAOYSA-N 1 2 249.245 1.542 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)s1 ZINC000381259157 538997167 /nfs/dbraw/zinc/99/71/67/538997167.db2.gz RMUGWMJJKCQALK-VHSXEESVSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000381259157 538997169 /nfs/dbraw/zinc/99/71/69/538997169.db2.gz RMUGWMJJKCQALK-VHSXEESVSA-N 1 2 241.360 1.583 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000381371166 538999204 /nfs/dbraw/zinc/99/92/04/538999204.db2.gz IIGIZUATHVUGKU-DTWKUNHWSA-N 1 2 221.304 1.347 20 0 BDADLO CCn1cc(CNc2[nH+]cccc2OC)cn1 ZINC000390133021 539019752 /nfs/dbraw/zinc/01/97/52/539019752.db2.gz QPQCODICLOEMLH-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO CC(C)/C=C\c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755158 361993509 /nfs/dbraw/zinc/99/35/09/361993509.db2.gz USKHXMLPIQPQJH-ARJAWSKDSA-N 1 2 217.276 1.719 20 0 BDADLO COC1CC[NH+](Cc2cnns2)CC1 ZINC000625042260 342845669 /nfs/dbraw/zinc/84/56/69/342845669.db2.gz GFHBXSNBNIDESU-UHFFFAOYSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)CCS1 ZINC000649509114 398301498 /nfs/dbraw/zinc/30/14/98/398301498.db2.gz OROXMTRZDVIRKI-SNVBAGLBSA-N 1 2 237.372 1.767 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CCS1 ZINC000649509114 398301499 /nfs/dbraw/zinc/30/14/99/398301499.db2.gz OROXMTRZDVIRKI-SNVBAGLBSA-N 1 2 237.372 1.767 20 0 BDADLO COc1cncc(C[NH+]2CCSCC2)n1 ZINC000625083715 342849035 /nfs/dbraw/zinc/84/90/35/342849035.db2.gz ULDGRMCCKRAROZ-UHFFFAOYSA-N 1 2 225.317 1.034 20 0 BDADLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000335647015 136244016 /nfs/dbraw/zinc/24/40/16/136244016.db2.gz PVXDRYKMQVWJLJ-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000335647015 136244017 /nfs/dbraw/zinc/24/40/17/136244017.db2.gz PVXDRYKMQVWJLJ-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO CCOCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583997441 342864139 /nfs/dbraw/zinc/86/41/39/342864139.db2.gz HTFOQLVJANGFRZ-NSHDSACASA-N 1 2 239.319 1.377 20 0 BDADLO COC(=O)C1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000134626598 342874177 /nfs/dbraw/zinc/87/41/77/342874177.db2.gz KFKKZKDJARPONB-UHFFFAOYSA-N 1 2 249.314 1.929 20 0 BDADLO Cc1cc(N[C@@H](C)C(=O)N2CCCCC2)nc[nH+]1 ZINC000134646081 342874726 /nfs/dbraw/zinc/87/47/26/342874726.db2.gz ORDKLXASJZIHSB-NSHDSACASA-N 1 2 248.330 1.598 20 0 BDADLO Cc1cc(NCC=C(Cl)Cl)nc[nH+]1 ZINC000407127167 342894649 /nfs/dbraw/zinc/89/46/49/342894649.db2.gz ZJBOIDKIIJJAKK-UHFFFAOYSA-N 1 2 218.087 1.938 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cnns2)CC1 ZINC000625157314 342896918 /nfs/dbraw/zinc/89/69/18/342896918.db2.gz JCKQRVHIXJCWDN-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@@H]1COCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493364271 529409303 /nfs/dbraw/zinc/40/93/03/529409303.db2.gz ZZQUXZJWQJGULJ-HMDXOVGESA-N 1 2 235.287 1.060 20 0 BDADLO Cc1cnc(CSc2nc(N)cc(C)[nH+]2)cn1 ZINC000352561775 398321083 /nfs/dbraw/zinc/32/10/83/398321083.db2.gz HATNBKAWJRREGM-UHFFFAOYSA-N 1 2 247.327 1.588 20 0 BDADLO c1cn([C@H]2CCCN(Cc3cnns3)C2)c[nH+]1 ZINC000625142414 342891092 /nfs/dbraw/zinc/89/10/92/342891092.db2.gz YWEKONKTPFHPPP-JTQLQIEISA-N 1 2 249.343 1.572 20 0 BDADLO COC1(C)C[NH+](Cc2cnccc2C)C1 ZINC000336085070 398315206 /nfs/dbraw/zinc/31/52/06/398315206.db2.gz PSHKDJGCNGUKHR-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1noc(C)n1 ZINC000351482142 136246223 /nfs/dbraw/zinc/24/62/23/136246223.db2.gz ZCNNNLHOCOXBPG-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1noc(C)n1 ZINC000351482142 136246224 /nfs/dbraw/zinc/24/62/24/136246224.db2.gz ZCNNNLHOCOXBPG-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CC[C@@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488379166 529411576 /nfs/dbraw/zinc/41/15/76/529411576.db2.gz KXDQSUVKPSUGRK-BDAKNGLRSA-N 1 2 237.351 1.514 20 0 BDADLO CC[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379166 529411577 /nfs/dbraw/zinc/41/15/77/529411577.db2.gz KXDQSUVKPSUGRK-BDAKNGLRSA-N 1 2 237.351 1.514 20 0 BDADLO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259984 398325572 /nfs/dbraw/zinc/32/55/72/398325572.db2.gz YRAUUEBKVVSWAI-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](F)C1 ZINC000336259984 398325575 /nfs/dbraw/zinc/32/55/75/398325575.db2.gz YRAUUEBKVVSWAI-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CCC(F)(F)C1 ZINC000625220311 342919449 /nfs/dbraw/zinc/91/94/49/342919449.db2.gz GTZFNZZOYMMANK-MRVPVSSYSA-N 1 2 230.262 1.672 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CCC(F)(F)C1 ZINC000625220311 342919450 /nfs/dbraw/zinc/91/94/50/342919450.db2.gz GTZFNZZOYMMANK-MRVPVSSYSA-N 1 2 230.262 1.672 20 0 BDADLO Cn1cc[nH+]c1CNc1ccnc(C2CC2)n1 ZINC000602601073 349647371 /nfs/dbraw/zinc/64/73/71/349647371.db2.gz PEVTXTDYIMBVCN-UHFFFAOYSA-N 1 2 229.287 1.122 20 0 BDADLO CCC(F)(F)CNc1cc[nH+]c(C)n1 ZINC000624560403 344010621 /nfs/dbraw/zinc/01/06/21/344010621.db2.gz CNJOUWJDTCUYQV-UHFFFAOYSA-N 1 2 201.220 1.664 20 0 BDADLO CC[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000383826389 342930991 /nfs/dbraw/zinc/93/09/91/342930991.db2.gz RUBDFCCCLKSSHA-NXEZZACHSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@@H]1CCCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000383826389 342930992 /nfs/dbraw/zinc/93/09/92/342930992.db2.gz RUBDFCCCLKSSHA-NXEZZACHSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@]1(CO)CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493250107 529427290 /nfs/dbraw/zinc/42/72/90/529427290.db2.gz HRRSMVXOGVNYHB-MUBLQREKSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C12CC(C1)C2 ZINC000625240624 342929384 /nfs/dbraw/zinc/92/93/84/342929384.db2.gz HMCYGTSOGRGEFV-LXVYMNJGSA-N 1 2 245.326 1.847 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OCC ZINC000602637267 349651202 /nfs/dbraw/zinc/65/12/02/349651202.db2.gz LFFQDEMHXQCQFG-ONPBZDAKSA-N 1 2 243.347 1.897 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H](CC(C)C)OC ZINC000602642825 349655141 /nfs/dbraw/zinc/65/51/41/349655141.db2.gz AGWPWVDUFKIAGU-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1ccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000634589461 342935720 /nfs/dbraw/zinc/93/57/20/342935720.db2.gz ZBKUFMSTGWRFLJ-GFCCVEGCSA-N 1 2 243.310 1.303 20 0 BDADLO COC(=O)C[N@H+](C)CCOc1cccc(F)c1 ZINC000048060923 342936254 /nfs/dbraw/zinc/93/62/54/342936254.db2.gz UJSCOKMUVGPGSA-UHFFFAOYSA-N 1 2 241.262 1.309 20 0 BDADLO COC(=O)C[N@@H+](C)CCOc1cccc(F)c1 ZINC000048060923 342936256 /nfs/dbraw/zinc/93/62/56/342936256.db2.gz UJSCOKMUVGPGSA-UHFFFAOYSA-N 1 2 241.262 1.309 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492890352 529456628 /nfs/dbraw/zinc/45/66/28/529456628.db2.gz BOMUZMPRVHCGTK-CCIFHCDCSA-N 1 2 205.261 1.338 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000602683351 349675374 /nfs/dbraw/zinc/67/53/74/349675374.db2.gz VHDPQGOLBQLVGK-GUBZILKMSA-N 1 2 217.309 1.340 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC1(C)C ZINC000133664257 398341722 /nfs/dbraw/zinc/34/17/22/398341722.db2.gz XAWQTNMNGZNOKX-NSHDSACASA-N 1 2 235.331 1.778 20 0 BDADLO CCc1cc(N)nc(SCCCO)[nH+]1 ZINC000279088165 398344481 /nfs/dbraw/zinc/34/44/81/398344481.db2.gz NAHNDBCSGBNNAR-UHFFFAOYSA-N 1 2 213.306 1.096 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000602700601 349696079 /nfs/dbraw/zinc/69/60/79/349696079.db2.gz HPBJWMXKXHNRPD-USZNOCQGSA-N 1 2 245.363 1.977 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000602701434 349697143 /nfs/dbraw/zinc/69/71/43/349697143.db2.gz SKRUWKKNKLQMTQ-AXFHLTTASA-N 1 2 245.363 1.977 20 0 BDADLO COC1CC([N@H+](C)Cc2nccc(C)n2)C1 ZINC000352203480 536719815 /nfs/dbraw/zinc/71/98/15/536719815.db2.gz SBNNEYHPEGMTSO-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO COC1CC([N@@H+](C)Cc2nccc(C)n2)C1 ZINC000352203480 536719817 /nfs/dbraw/zinc/71/98/17/536719817.db2.gz SBNNEYHPEGMTSO-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC1C[C@H]2C[C@H]2C1 ZINC000493138513 529552540 /nfs/dbraw/zinc/55/25/40/529552540.db2.gz ILWQOUJMIITNGN-GZXMXEMNSA-N 1 2 245.326 1.831 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CCOC ZINC000492293587 529557157 /nfs/dbraw/zinc/55/71/57/529557157.db2.gz FZAVVYXZOBBMGJ-WAYWQWQTSA-N 1 2 237.303 1.021 20 0 BDADLO CC[C@](C)(C[NH2+][C@](C)(CCF)C(=O)OC)OC ZINC000602715321 349706219 /nfs/dbraw/zinc/70/62/19/349706219.db2.gz DUROGPRYEZZTQX-VXGBXAGGSA-N 1 2 249.326 1.682 20 0 BDADLO CCn1cccc1C[N@H+](C)CC(=O)NC(C)C ZINC000494927974 529546741 /nfs/dbraw/zinc/54/67/41/529546741.db2.gz BWNSLYQVKCZUMH-UHFFFAOYSA-N 1 2 237.347 1.464 20 0 BDADLO CCn1cccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000494927974 529546743 /nfs/dbraw/zinc/54/67/43/529546743.db2.gz BWNSLYQVKCZUMH-UHFFFAOYSA-N 1 2 237.347 1.464 20 0 BDADLO CCn1cccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000496120253 529547424 /nfs/dbraw/zinc/54/74/24/529547424.db2.gz FURKSDJBVMYLQT-GFCCVEGCSA-N 1 2 249.314 1.144 20 0 BDADLO CCn1cccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000496120253 529547426 /nfs/dbraw/zinc/54/74/26/529547426.db2.gz FURKSDJBVMYLQT-GFCCVEGCSA-N 1 2 249.314 1.144 20 0 BDADLO Cn1c[nH+]c(CCNc2ncccc2F)c1 ZINC000313488950 259335724 /nfs/dbraw/zinc/33/57/24/259335724.db2.gz VIXHPRPWLJJXPM-UHFFFAOYSA-N 1 2 220.251 1.609 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)c(F)c1 ZINC000020372581 342984008 /nfs/dbraw/zinc/98/40/08/342984008.db2.gz JHOHCZXLGNOPFN-JTQLQIEISA-N 1 2 240.303 1.735 20 0 BDADLO CCn1cc[nH+]c1CN(CCO)c1ccccc1 ZINC000174828395 529568634 /nfs/dbraw/zinc/56/86/34/529568634.db2.gz KHQOTZDSVZMESW-UHFFFAOYSA-N 1 2 245.326 1.902 20 0 BDADLO COCC[N@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602769974 349725105 /nfs/dbraw/zinc/72/51/05/349725105.db2.gz XWWQWWZCXXXFLI-QMMMGPOBSA-N 1 2 242.275 1.100 20 0 BDADLO COCC[N@@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602769974 349725107 /nfs/dbraw/zinc/72/51/07/349725107.db2.gz XWWQWWZCXXXFLI-QMMMGPOBSA-N 1 2 242.275 1.100 20 0 BDADLO Brc1c[nH]nc1C[NH2+][C@@H]1CCOC1 ZINC000307689837 259338619 /nfs/dbraw/zinc/33/86/19/259338619.db2.gz HDPHYDLBVUGDBZ-ZCFIWIBFSA-N 1 2 246.108 1.051 20 0 BDADLO CC(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000602771998 349725938 /nfs/dbraw/zinc/72/59/38/349725938.db2.gz FGYBKLBCHZGTHQ-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO CCN(C#N)CC[NH+]1Cc2ccccc2C1 ZINC000602774903 349728357 /nfs/dbraw/zinc/72/83/57/349728357.db2.gz GKIAUCMAFDKHSZ-UHFFFAOYSA-N 1 2 215.300 1.805 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000518179482 259338451 /nfs/dbraw/zinc/33/84/51/259338451.db2.gz FLBVMUCEWWEOQJ-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000518179482 259338452 /nfs/dbraw/zinc/33/84/52/259338452.db2.gz FLBVMUCEWWEOQJ-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000049948594 343019257 /nfs/dbraw/zinc/01/92/57/343019257.db2.gz WEOBJQFDFKDQNS-GHMZBOCLSA-N 1 2 209.293 1.375 20 0 BDADLO CC(C)(C)CCn1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634620798 343019578 /nfs/dbraw/zinc/01/95/78/343019578.db2.gz PYHBFHXWZFXMQX-SECBINFHSA-N 1 2 223.320 1.230 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccccn1 ZINC000602835847 349775739 /nfs/dbraw/zinc/77/57/39/349775739.db2.gz JOSREBDJNZVXRJ-UHFFFAOYSA-N 1 2 218.304 1.316 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccccn1 ZINC000602835847 349775740 /nfs/dbraw/zinc/77/57/40/349775740.db2.gz JOSREBDJNZVXRJ-UHFFFAOYSA-N 1 2 218.304 1.316 20 0 BDADLO CC1(C)CCC[C@@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634626112 343031011 /nfs/dbraw/zinc/03/10/11/343031011.db2.gz XEWLXJGUZXXEER-ONGXEEELSA-N 1 2 235.331 1.373 20 0 BDADLO Cc1csc(C[NH2+]Cc2cc[nH]n2)n1 ZINC000038090984 343059712 /nfs/dbraw/zinc/05/97/12/343059712.db2.gz HPVGLOUFBMJMEZ-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000024381741 343072146 /nfs/dbraw/zinc/07/21/46/343072146.db2.gz CXXBXUJTDFYBNI-UHFFFAOYSA-N 1 2 217.272 1.481 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnns1 ZINC000306660721 362020558 /nfs/dbraw/zinc/02/05/58/362020558.db2.gz QWIGUFPTTUTCFA-OCAPTIKFSA-N 1 2 223.301 1.234 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnns1 ZINC000306660721 362020562 /nfs/dbraw/zinc/02/05/62/362020562.db2.gz QWIGUFPTTUTCFA-OCAPTIKFSA-N 1 2 223.301 1.234 20 0 BDADLO Nc1nc(N2CCOCC2)c2ccsc2[nH+]1 ZINC000236406074 343076570 /nfs/dbraw/zinc/07/65/70/343076570.db2.gz TVFKRUBCTSGHJI-UHFFFAOYSA-N 1 2 236.300 1.110 20 0 BDADLO CC[C@@H](C)n1cc(C[N@H+](C)CCOC)nn1 ZINC000640938367 362082122 /nfs/dbraw/zinc/08/21/22/362082122.db2.gz HQFZWXCZEBLTFZ-SNVBAGLBSA-N 1 2 226.324 1.327 20 0 BDADLO CC[C@@H](C)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000640938367 362082123 /nfs/dbraw/zinc/08/21/23/362082123.db2.gz HQFZWXCZEBLTFZ-SNVBAGLBSA-N 1 2 226.324 1.327 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1[C@H]1C=CCCC1 ZINC000640944322 362090889 /nfs/dbraw/zinc/09/08/89/362090889.db2.gz DFPLNLMJEWEJEK-CMPLNLGQSA-N 1 2 234.303 1.220 20 0 BDADLO CC(C)=CCCn1cc(C[N@H+](C)CCO)nn1 ZINC000640945099 362091706 /nfs/dbraw/zinc/09/17/06/362091706.db2.gz MEIHDWSZFLYTSK-UHFFFAOYSA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)=CCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000640945099 362091713 /nfs/dbraw/zinc/09/17/13/362091713.db2.gz MEIHDWSZFLYTSK-UHFFFAOYSA-N 1 2 238.335 1.059 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579749 192355890 /nfs/dbraw/zinc/35/58/90/192355890.db2.gz UZKOVLBBSFLVLV-OLZOCXBDSA-N 1 2 248.326 1.740 20 0 BDADLO C[C@H]([NH2+]Cc1cscn1)c1cn[nH]c1 ZINC000229883583 136273798 /nfs/dbraw/zinc/27/37/98/136273798.db2.gz QOJNLGIWTYXLEK-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO COC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)OC)C(C)C ZINC000126168819 343169018 /nfs/dbraw/zinc/16/90/18/343169018.db2.gz BFSWFBWYEOBVKQ-NWDGAFQWSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CCCO1)c1[nH]cc[nH+]1 ZINC000125354784 343173122 /nfs/dbraw/zinc/17/31/22/343173122.db2.gz CLIRVLQTRXWSID-LDYMZIIASA-N 1 2 223.276 1.156 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000125418249 343173519 /nfs/dbraw/zinc/17/35/19/343173519.db2.gz XLTMPZHAMAGXCA-SFYZADRCSA-N 1 2 225.317 1.340 20 0 BDADLO CC[NH+]1CCC(Nc2[nH+]cccc2C(=O)[O-])CC1 ZINC000387433728 365724327 /nfs/dbraw/zinc/72/43/27/365724327.db2.gz XNURZURZCHGYKQ-UHFFFAOYSA-N 1 2 249.314 1.676 20 0 BDADLO COc1c(N)[nH+]cnc1NCCc1ccncc1 ZINC000134833679 343196250 /nfs/dbraw/zinc/19/62/50/343196250.db2.gz ZASBLPXQYAUPAM-UHFFFAOYSA-N 1 2 245.286 1.117 20 0 BDADLO COc1c(N)nc[nH+]c1NCCc1ccncc1 ZINC000134833679 343196252 /nfs/dbraw/zinc/19/62/52/343196252.db2.gz ZASBLPXQYAUPAM-UHFFFAOYSA-N 1 2 245.286 1.117 20 0 BDADLO Cc1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000140752224 343197541 /nfs/dbraw/zinc/19/75/41/343197541.db2.gz GNJTVAPXUOSYQT-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO O[C@H](C[N@@H+]1CCC[C@H]1C(F)F)CC1(O)CCC1 ZINC000625276914 343216018 /nfs/dbraw/zinc/21/60/18/343216018.db2.gz PKXNQJGFJXBIJK-UWVGGRQHSA-N 1 2 249.301 1.382 20 0 BDADLO O[C@H](C[N@H+]1CCC[C@H]1C(F)F)CC1(O)CCC1 ZINC000625276914 343216019 /nfs/dbraw/zinc/21/60/19/343216019.db2.gz PKXNQJGFJXBIJK-UWVGGRQHSA-N 1 2 249.301 1.382 20 0 BDADLO OC1(C(F)F)CC[NH+](Cc2cnns2)CC1 ZINC000625350843 343246055 /nfs/dbraw/zinc/24/60/55/343246055.db2.gz ZNDAMFITFZBQKI-UHFFFAOYSA-N 1 2 249.286 1.130 20 0 BDADLO CCO[C@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000625355840 343247685 /nfs/dbraw/zinc/24/76/85/343247685.db2.gz GRRVWOKIRAWOHL-LBPRGKRZSA-N 1 2 236.315 1.812 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384519659 343251160 /nfs/dbraw/zinc/25/11/60/343251160.db2.gz ATWRSERDNALCEO-BWZBUEFSSA-N 1 2 238.291 1.045 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384519659 343251161 /nfs/dbraw/zinc/25/11/61/343251161.db2.gz ATWRSERDNALCEO-BWZBUEFSSA-N 1 2 238.291 1.045 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1F)c1nncn1C ZINC000037017562 343330596 /nfs/dbraw/zinc/33/05/96/343330596.db2.gz QNUSQVHCBUXNON-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCC[C@@H]2O)[nH+]1 ZINC000348730105 136294900 /nfs/dbraw/zinc/29/49/00/136294900.db2.gz YRFKBYKOHXSWGG-MNOVXSKESA-N 1 2 246.314 1.982 20 0 BDADLO Cn1c[nH+]c(Cn2cc(C(C)(C)C)nn2)c1 ZINC000641053728 362163840 /nfs/dbraw/zinc/16/38/40/362163840.db2.gz MUMQCKSAPRIBSL-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO CC(C)SCC(=O)NCc1[nH+]ccn1C ZINC000609131274 343312496 /nfs/dbraw/zinc/31/24/96/343312496.db2.gz WBKSTRMTFQDYFW-UHFFFAOYSA-N 1 2 227.333 1.178 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000625372289 343359509 /nfs/dbraw/zinc/35/95/09/343359509.db2.gz YREPFTZTMDDMEL-SSDOTTSWSA-N 1 2 249.236 1.957 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccc(F)cc1F ZINC000037988952 343364250 /nfs/dbraw/zinc/36/42/50/343364250.db2.gz PVHQIPCQHYWIGM-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO C[C@@H]1C[C@H]1C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000625383492 343365977 /nfs/dbraw/zinc/36/59/77/343365977.db2.gz LTBRZPOREHQWEX-SCZZXKLOSA-N 1 2 236.319 1.346 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000335635455 136300679 /nfs/dbraw/zinc/30/06/79/136300679.db2.gz LMVWZEBEYWYQEA-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000335635455 136300680 /nfs/dbraw/zinc/30/06/80/136300680.db2.gz LMVWZEBEYWYQEA-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO CCCCc1cc(NCc2cocn2)nc[nH+]1 ZINC000631109763 343344755 /nfs/dbraw/zinc/34/47/55/343344755.db2.gz CLUKSFWHTHLMOU-UHFFFAOYSA-N 1 2 232.287 1.841 20 0 BDADLO Cc1csc(C[N@@H+]2CCSC[C@H]2CO)n1 ZINC000335672244 136313776 /nfs/dbraw/zinc/31/37/76/136313776.db2.gz GZHARSGAWBXZPA-SECBINFHSA-N 1 2 244.385 1.361 20 0 BDADLO Cc1csc(C[N@H+]2CCSC[C@H]2CO)n1 ZINC000335672244 136313777 /nfs/dbraw/zinc/31/37/77/136313777.db2.gz GZHARSGAWBXZPA-SECBINFHSA-N 1 2 244.385 1.361 20 0 BDADLO O=C([C@@H]1CCCS1)N1CC[NH+](C2CC2)CC1 ZINC000335687667 136323922 /nfs/dbraw/zinc/32/39/22/136323922.db2.gz CCEMUEXDPSYMTJ-NSHDSACASA-N 1 2 240.372 1.189 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(F)c1 ZINC000041039481 343413656 /nfs/dbraw/zinc/41/36/56/343413656.db2.gz BMXVTYGQHDMFJC-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000349365405 136343113 /nfs/dbraw/zinc/34/31/13/136343113.db2.gz HRMSWWBFWHJYDE-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000349365405 136343114 /nfs/dbraw/zinc/34/31/14/136343114.db2.gz HRMSWWBFWHJYDE-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ncnn1C ZINC000335722902 136343942 /nfs/dbraw/zinc/34/39/42/136343942.db2.gz WQDZBZZEAIJQPD-SFYZADRCSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ncnn1C ZINC000335722902 136343943 /nfs/dbraw/zinc/34/39/43/136343943.db2.gz WQDZBZZEAIJQPD-SFYZADRCSA-N 1 2 248.252 1.588 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)nn1 ZINC000349403489 136344906 /nfs/dbraw/zinc/34/49/06/136344906.db2.gz BVSHFLPBYSZNBV-CMPLNLGQSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)nn1 ZINC000349403489 136344907 /nfs/dbraw/zinc/34/49/07/136344907.db2.gz BVSHFLPBYSZNBV-CMPLNLGQSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000349417615 136345293 /nfs/dbraw/zinc/34/52/93/136345293.db2.gz MDZOEBRYUQIOSA-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000349417615 136345294 /nfs/dbraw/zinc/34/52/94/136345294.db2.gz MDZOEBRYUQIOSA-SCZZXKLOSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccncc1 ZINC000042511341 343441371 /nfs/dbraw/zinc/44/13/71/343441371.db2.gz MXNOVBCBORNKNO-SNVBAGLBSA-N 1 2 230.271 1.097 20 0 BDADLO O[C@@H]1C[N@H+](Cc2nccs2)CC12CC2 ZINC000335725070 136347049 /nfs/dbraw/zinc/34/70/49/136347049.db2.gz ILOPDAFGZJLETI-MRVPVSSYSA-N 1 2 210.302 1.100 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2nccs2)CC12CC2 ZINC000335725070 136347050 /nfs/dbraw/zinc/34/70/50/136347050.db2.gz ILOPDAFGZJLETI-MRVPVSSYSA-N 1 2 210.302 1.100 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000335734825 136350394 /nfs/dbraw/zinc/35/03/94/136350394.db2.gz VBNZFDTWBGMURQ-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO CCn1ncnc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000335734825 136350395 /nfs/dbraw/zinc/35/03/95/136350395.db2.gz VBNZFDTWBGMURQ-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H](O)C1 ZINC000335685198 136329808 /nfs/dbraw/zinc/32/98/08/136329808.db2.gz ZKQBXXJLLWIIKG-VIFPVBQESA-N 1 2 235.262 1.283 20 0 BDADLO CC(C)C[C@@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641092916 362219669 /nfs/dbraw/zinc/21/96/69/362219669.db2.gz NRFPBNJXVOBUEM-PWSUYJOCSA-N 1 2 238.335 1.546 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367087760 136341490 /nfs/dbraw/zinc/34/14/90/136341490.db2.gz ZESCKVWDUWSUCA-RAIGVLPGSA-N 1 2 245.326 1.211 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857795 136356089 /nfs/dbraw/zinc/35/60/89/136356089.db2.gz YPEIDIIZKFJSDK-HTRCEHHLSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000335857795 136356090 /nfs/dbraw/zinc/35/60/90/136356090.db2.gz YPEIDIIZKFJSDK-HTRCEHHLSA-N 1 2 249.236 1.384 20 0 BDADLO C[C@H](CF)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000350521050 136361757 /nfs/dbraw/zinc/36/17/57/136361757.db2.gz VVBMPJKXXXCIAI-MNOVXSKESA-N 1 2 245.342 1.518 20 0 BDADLO COC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)C(C)C ZINC000350518815 136361818 /nfs/dbraw/zinc/36/18/18/136361818.db2.gz WDTWUAMCWQQWHE-YPMHNXCESA-N 1 2 239.363 1.612 20 0 BDADLO CCc1cc(NCc2[nH+]ccn2C)ncn1 ZINC000070853820 343514380 /nfs/dbraw/zinc/51/43/80/343514380.db2.gz SWFKYKJPOXNDFQ-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000536349497 343503164 /nfs/dbraw/zinc/50/31/64/343503164.db2.gz RRSARMGOCXWUIU-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000536349497 343503168 /nfs/dbraw/zinc/50/31/68/343503168.db2.gz RRSARMGOCXWUIU-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1 ZINC000046886927 343554755 /nfs/dbraw/zinc/55/47/55/343554755.db2.gz WITGHKHDFHQKOR-GFCCVEGCSA-N 1 2 248.326 1.137 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cc(C)ccn1 ZINC000616765436 343561772 /nfs/dbraw/zinc/56/17/72/343561772.db2.gz MXHKIOLMUGECBR-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(C)ccn1 ZINC000616765436 343561773 /nfs/dbraw/zinc/56/17/73/343561773.db2.gz MXHKIOLMUGECBR-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CC(C)[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000047597567 343563647 /nfs/dbraw/zinc/56/36/47/343563647.db2.gz YZLAPQBVHQUZSB-NSHDSACASA-N 1 2 238.335 1.617 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C(=O)OC ZINC000379493973 343565713 /nfs/dbraw/zinc/56/57/13/343565713.db2.gz VQOCNFHZKRPKQA-HRDYMLBCSA-N 1 2 217.334 1.422 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1CCC1 ZINC000047976243 343568984 /nfs/dbraw/zinc/56/89/84/343568984.db2.gz YXXVHZFQSPMTFO-UHFFFAOYSA-N 1 2 219.288 1.886 20 0 BDADLO COC(=O)C[N@H+](C)CCOc1ccccc1C ZINC000048583926 343584031 /nfs/dbraw/zinc/58/40/31/343584031.db2.gz MYWIDCDJOGZUPQ-UHFFFAOYSA-N 1 2 237.299 1.479 20 0 BDADLO COC(=O)C[N@@H+](C)CCOc1ccccc1C ZINC000048583926 343584032 /nfs/dbraw/zinc/58/40/32/343584032.db2.gz MYWIDCDJOGZUPQ-UHFFFAOYSA-N 1 2 237.299 1.479 20 0 BDADLO COC(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000048583957 343584277 /nfs/dbraw/zinc/58/42/77/343584277.db2.gz QDVUINLJDBRZDC-UHFFFAOYSA-N 1 2 241.262 1.309 20 0 BDADLO COC(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000048583957 343584280 /nfs/dbraw/zinc/58/42/80/343584280.db2.gz QDVUINLJDBRZDC-UHFFFAOYSA-N 1 2 241.262 1.309 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cncc(F)c2)[nH]1 ZINC000494563965 529746794 /nfs/dbraw/zinc/74/67/94/529746794.db2.gz JJVVSRNDBSGZOC-QMMMGPOBSA-N 1 2 249.293 1.752 20 0 BDADLO Cn1cc(C[N@H+](C)CC(=O)c2cccn2C)cn1 ZINC000048777546 343587880 /nfs/dbraw/zinc/58/78/80/343587880.db2.gz PNGWGROJCCZTBU-UHFFFAOYSA-N 1 2 246.314 1.073 20 0 BDADLO Cn1cc(C[N@@H+](C)CC(=O)c2cccn2C)cn1 ZINC000048777546 343587884 /nfs/dbraw/zinc/58/78/84/343587884.db2.gz PNGWGROJCCZTBU-UHFFFAOYSA-N 1 2 246.314 1.073 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC1CC1)C(C)(C)C ZINC000118985197 343588105 /nfs/dbraw/zinc/58/81/05/343588105.db2.gz JHOVKIBIIRBOED-NSHDSACASA-N 1 2 243.347 1.590 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(F)cn1 ZINC000049235910 343594409 /nfs/dbraw/zinc/59/44/09/343594409.db2.gz ARYDUEBOCWXVDB-SECBINFHSA-N 1 2 220.251 1.918 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2nc(C3CC3)c[nH]2)C1 ZINC000622741617 343597810 /nfs/dbraw/zinc/59/78/10/343597810.db2.gz KVBUGJSDPNDPMH-UHFFFAOYSA-N 1 2 248.330 1.567 20 0 BDADLO CC[C@H](OC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000049446947 343598347 /nfs/dbraw/zinc/59/83/47/343598347.db2.gz PPEFPSDWNKTCKW-NSHDSACASA-N 1 2 247.298 1.376 20 0 BDADLO CCc1nc(C[NH2+]CC(=O)NC(C)C)cs1 ZINC000049591188 343603914 /nfs/dbraw/zinc/60/39/14/343603914.db2.gz FGKSRZXFDTVIFR-UHFFFAOYSA-N 1 2 241.360 1.320 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)CCn1cc[nH+]c1 ZINC000620077983 343638741 /nfs/dbraw/zinc/63/87/41/343638741.db2.gz GPNNJPGDNFEHNN-LBPRGKRZSA-N 1 2 221.304 1.578 20 0 BDADLO CCc1cc(N2CC[C@H](C(=O)OC)C2)nc[nH+]1 ZINC000083530067 343626757 /nfs/dbraw/zinc/62/67/57/343626757.db2.gz MZCCZAZJUCHSCW-VIFPVBQESA-N 1 2 235.287 1.038 20 0 BDADLO CCc1cc(NC[C@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000077228688 343672487 /nfs/dbraw/zinc/67/24/87/343672487.db2.gz LQKKMHZWYYWUAG-NXEZZACHSA-N 1 2 223.320 1.858 20 0 BDADLO Cc1cc(CNC(=O)C[C@H]2CCCO2)cc(C)[nH+]1 ZINC000421573770 192364016 /nfs/dbraw/zinc/36/40/16/192364016.db2.gz CAADCZZAJHYEON-CYBMUJFWSA-N 1 2 248.326 1.884 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)CF ZINC000570294815 323055681 /nfs/dbraw/zinc/05/56/81/323055681.db2.gz XVUHLZMHHQCYTL-QMMMGPOBSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)CF ZINC000570294815 323055682 /nfs/dbraw/zinc/05/56/82/323055682.db2.gz XVUHLZMHHQCYTL-QMMMGPOBSA-N 1 2 227.283 1.453 20 0 BDADLO Cc1cc(C)c(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(C)[nH+]1 ZINC000622776894 343668940 /nfs/dbraw/zinc/66/89/40/343668940.db2.gz VFNSLWXXWAPVEK-GDNZZTSVSA-N 1 2 246.310 1.838 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)c1cnn(C)c1 ZINC000088052605 343698629 /nfs/dbraw/zinc/69/86/29/343698629.db2.gz GQVJJODYRXSXDR-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1cnn(C)c1 ZINC000602985154 349837163 /nfs/dbraw/zinc/83/71/63/349837163.db2.gz OYAWGDJRLHQOFQ-UHFFFAOYSA-N 1 2 249.314 1.090 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1cnn(C)c1 ZINC000602985154 349837166 /nfs/dbraw/zinc/83/71/66/349837166.db2.gz OYAWGDJRLHQOFQ-UHFFFAOYSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCC(F)(F)F ZINC000088094331 343705433 /nfs/dbraw/zinc/70/54/33/343705433.db2.gz CYQUBKLDIQVQAD-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCC(F)(F)F ZINC000088094331 343705435 /nfs/dbraw/zinc/70/54/35/343705435.db2.gz CYQUBKLDIQVQAD-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CSC[C@H]2C)no1 ZINC000309035197 346956099 /nfs/dbraw/zinc/95/60/99/346956099.db2.gz HQFIIENBTBKFMB-HTQZYQBOSA-N 1 2 227.333 1.473 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CSC[C@H]2C)no1 ZINC000309035199 346956157 /nfs/dbraw/zinc/95/61/57/346956157.db2.gz HQFIIENBTBKFMB-SFYZADRCSA-N 1 2 227.333 1.473 20 0 BDADLO CCc1nnc([C@@H](C)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000625436643 343734399 /nfs/dbraw/zinc/73/43/99/343734399.db2.gz IUOQHEIRYCTQBB-MRVPVSSYSA-N 1 2 247.302 1.474 20 0 BDADLO C[C@@](O)(CN1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000625434578 343735302 /nfs/dbraw/zinc/73/53/02/343735302.db2.gz BRFQJVSMRIPPOK-SECBINFHSA-N 1 2 249.236 1.081 20 0 BDADLO Cc1cc(N2CCC[C@@H]2c2cn[nH]c2)nc[nH+]1 ZINC000624382080 343743981 /nfs/dbraw/zinc/74/39/81/343743981.db2.gz MJAPBVWHTXYKLG-LLVKDONJSA-N 1 2 229.287 1.850 20 0 BDADLO COC(=O)[C@H]1C[C@@H](Nc2nc(C)[nH+]cc2C)C1 ZINC000584182466 343770785 /nfs/dbraw/zinc/77/07/85/343770785.db2.gz BCRJILYTHUNVPQ-AOOOYVTPSA-N 1 2 235.287 1.457 20 0 BDADLO CCn1nccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584234629 343777029 /nfs/dbraw/zinc/77/70/29/343777029.db2.gz MOFIBROFPZPEKY-SNVBAGLBSA-N 1 2 247.302 1.689 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]2COC[C@H]2C1 ZINC000624408777 343758584 /nfs/dbraw/zinc/75/85/84/343758584.db2.gz FAZUBRGHBNIQBN-GHMZBOCLSA-N 1 2 234.299 1.563 20 0 BDADLO C[C@@H](CC(=O)NC(C)(C)CCO)n1cc[nH+]c1 ZINC000584117702 343761356 /nfs/dbraw/zinc/76/13/56/343761356.db2.gz RMOPBPVRUHNOKR-JTQLQIEISA-N 1 2 239.319 1.111 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000576877687 343762783 /nfs/dbraw/zinc/76/27/83/343762783.db2.gz GSLYFJYBJNAMTA-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1cccn2c(CNc3c[nH]cn3)c[nH+]c12 ZINC000584151418 343765798 /nfs/dbraw/zinc/76/57/98/343765798.db2.gz SZAUUFHUCXLYFJ-UHFFFAOYSA-N 1 2 227.271 1.978 20 0 BDADLO CN(CC1CCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493160800 529862540 /nfs/dbraw/zinc/86/25/40/529862540.db2.gz QQPVUGPPTVHHIQ-AATRIKPKSA-N 1 2 219.288 1.681 20 0 BDADLO CN(CC1CCOCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493191556 529865900 /nfs/dbraw/zinc/86/59/00/529865900.db2.gz PTWOIILQDIRQAV-NSCUHMNNSA-N 1 2 249.314 1.308 20 0 BDADLO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000396809509 349879149 /nfs/dbraw/zinc/87/91/49/349879149.db2.gz AZTXXWCYHLUAGT-RKDXNWHRSA-N 1 2 215.293 1.095 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1c1ccsc1 ZINC000625488188 343884185 /nfs/dbraw/zinc/88/41/85/343884185.db2.gz FEWVDVWNOGUINH-VHSXEESVSA-N 1 2 247.323 1.891 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625462732 343865926 /nfs/dbraw/zinc/86/59/26/343865926.db2.gz UOXAWYQSUWAATQ-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625462732 343865928 /nfs/dbraw/zinc/86/59/28/343865928.db2.gz UOXAWYQSUWAATQ-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000179895392 347001882 /nfs/dbraw/zinc/00/18/82/347001882.db2.gz PCVHYKVXZRBWSK-VIFPVBQESA-N 1 2 241.316 1.066 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000179895392 347001884 /nfs/dbraw/zinc/00/18/84/347001884.db2.gz PCVHYKVXZRBWSK-VIFPVBQESA-N 1 2 241.316 1.066 20 0 BDADLO C[C@@H](N[C@H](C)c1[nH]cc[nH+]1)c1ccon1 ZINC000336745530 537834434 /nfs/dbraw/zinc/83/44/34/537834434.db2.gz BGYKTFXLDXRVQU-HTQZYQBOSA-N 1 2 206.249 1.810 20 0 BDADLO CCc1cccc(OC[C@@H](O)Cn2cc[nH+]c2)c1 ZINC000068045736 343910572 /nfs/dbraw/zinc/91/05/72/343910572.db2.gz VDMYCHOWRZLIAV-ZDUSSCGKSA-N 1 2 246.310 1.885 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccc(F)cc2)[nH]1 ZINC000296214976 343911086 /nfs/dbraw/zinc/91/10/86/343911086.db2.gz ZYPHULGNAYEBPH-UHFFFAOYSA-N 1 2 234.278 1.796 20 0 BDADLO CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000309632762 343938679 /nfs/dbraw/zinc/93/86/79/343938679.db2.gz RMHZBBJRUQSWHN-UHFFFAOYSA-N 1 2 219.288 1.504 20 0 BDADLO CCO[C@H](C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000625512902 343914141 /nfs/dbraw/zinc/91/41/41/343914141.db2.gz HBDMHVOYQDGRBE-LBPRGKRZSA-N 1 2 234.299 1.566 20 0 BDADLO CN(C[C@@H]1CCCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866119 529945212 /nfs/dbraw/zinc/94/52/12/529945212.db2.gz PRZOHACUQRYOFU-FJOGCWAESA-N 1 2 249.314 1.450 20 0 BDADLO COCC[N@H+](C)Cc1cn([C@@H](C)C(C)C)nn1 ZINC000641188633 362263080 /nfs/dbraw/zinc/26/30/80/362263080.db2.gz VOPOOZGMMINIFT-NSHDSACASA-N 1 2 240.351 1.573 20 0 BDADLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(C)C)nn1 ZINC000641188633 362263083 /nfs/dbraw/zinc/26/30/83/362263083.db2.gz VOPOOZGMMINIFT-NSHDSACASA-N 1 2 240.351 1.573 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCCOC(C)(C)C ZINC000393804795 343963487 /nfs/dbraw/zinc/96/34/87/343963487.db2.gz VQAFTGAXZAHOAB-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000641241613 362301148 /nfs/dbraw/zinc/30/11/48/362301148.db2.gz KNIPEZWLLDIWKF-ZJUUUORDSA-N 1 2 219.288 1.066 20 0 BDADLO CN(CC(=O)N1CCCC1)c1cc[nH+]cc1F ZINC000641269092 362337281 /nfs/dbraw/zinc/33/72/81/362337281.db2.gz PHCQPLMCFLBRAZ-UHFFFAOYSA-N 1 2 237.278 1.279 20 0 BDADLO CC(=O)N1CCCN(c2cc[nH+]cc2F)CC1 ZINC000641268361 362339751 /nfs/dbraw/zinc/33/97/51/362339751.db2.gz CNOBIIPMWZQTAO-UHFFFAOYSA-N 1 2 237.278 1.279 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccncc1F ZINC000641289363 362346254 /nfs/dbraw/zinc/34/62/54/362346254.db2.gz YEQTVPSVUKCJSP-VIFPVBQESA-N 1 2 220.251 1.340 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1C[C@@H]1C ZINC000167382408 344078144 /nfs/dbraw/zinc/07/81/44/344078144.db2.gz CMPAEUVRALNYBD-BQBZGAKWSA-N 1 2 208.265 1.135 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1C[C@@H]1C ZINC000167382408 344078145 /nfs/dbraw/zinc/07/81/45/344078145.db2.gz CMPAEUVRALNYBD-BQBZGAKWSA-N 1 2 208.265 1.135 20 0 BDADLO Cc1nnc(C[NH+](C2CC2)C2CC2)n1C ZINC000625838182 344090456 /nfs/dbraw/zinc/09/04/56/344090456.db2.gz UDCPFASPPDHHTR-UHFFFAOYSA-N 1 2 206.293 1.250 20 0 BDADLO Cc1nc(NC[C@H](C)C[C@@H](C)O)cc[nH+]1 ZINC000078299028 344095821 /nfs/dbraw/zinc/09/58/21/344095821.db2.gz VYMIASXPACKEMN-RKDXNWHRSA-N 1 2 209.293 1.604 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000082863291 344166814 /nfs/dbraw/zinc/16/68/14/344166814.db2.gz JZKLAYNDKPBJEW-JGVFFNPUSA-N 1 2 239.237 1.870 20 0 BDADLO Cc1cc(CNc2cc(CO)cc[nH+]2)no1 ZINC000641308128 362356971 /nfs/dbraw/zinc/35/69/71/362356971.db2.gz RMPHDQPLIBSAGJ-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634736033 344124761 /nfs/dbraw/zinc/12/47/61/344124761.db2.gz XVBUOUPMTFPRCW-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634736033 344124765 /nfs/dbraw/zinc/12/47/65/344124765.db2.gz XVBUOUPMTFPRCW-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082274901 344153052 /nfs/dbraw/zinc/15/30/52/344153052.db2.gz ADBOFCKPEQDNHE-SECBINFHSA-N 1 2 207.277 1.873 20 0 BDADLO CN(C[C@H]1CCCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866120 529962907 /nfs/dbraw/zinc/96/29/07/529962907.db2.gz PRZOHACUQRYOFU-FOQNGQEVSA-N 1 2 249.314 1.450 20 0 BDADLO OCCCSCCNc1cc(CO)cc[nH+]1 ZINC000603287611 349906998 /nfs/dbraw/zinc/90/69/98/349906998.db2.gz CDRAOPHDVPVPDP-UHFFFAOYSA-N 1 2 242.344 1.101 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000600613888 344336817 /nfs/dbraw/zinc/33/68/17/344336817.db2.gz KHBAQDHMWIXYJN-SDDRHHMPSA-N 1 2 239.315 1.095 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCCS1)c1[nH+]ccn1C ZINC000620603585 344353606 /nfs/dbraw/zinc/35/36/06/344353606.db2.gz LKOXNPBFVHRUHB-IUCAKERBSA-N 1 2 239.344 1.493 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@]12CCOC2)c1[nH+]ccn1C ZINC000620603403 344354169 /nfs/dbraw/zinc/35/41/69/344354169.db2.gz HOCHBLAMAGEUDI-CWSCBRNRSA-N 1 2 249.314 1.024 20 0 BDADLO Cc1nnccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603751 344354198 /nfs/dbraw/zinc/35/41/98/344354198.db2.gz NBQAXGMIDRVHPE-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)CCOC1)c1[nH+]ccn1C ZINC000620603380 344354238 /nfs/dbraw/zinc/35/42/38/344354238.db2.gz HDRGLALGIIBVSI-SKDRFNHKSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H](O)C[C@@H](C)CNc1cc[nH+]cc1F ZINC000641388639 362387842 /nfs/dbraw/zinc/38/78/42/362387842.db2.gz CMPRDXYBJYBYSO-RKDXNWHRSA-N 1 2 212.268 1.462 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)[C@H](C)CO ZINC000641391078 362389228 /nfs/dbraw/zinc/38/92/28/362389228.db2.gz MAJULZPDTZLBST-RKDXNWHRSA-N 1 2 210.277 1.003 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)c1cnn(C)c1 ZINC000641392663 362390766 /nfs/dbraw/zinc/39/07/66/362390766.db2.gz KUZFKJFBFIZVQW-MRVPVSSYSA-N 1 2 220.251 1.549 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000041015569 344411989 /nfs/dbraw/zinc/41/19/89/344411989.db2.gz JYFPZPIIVCFJED-WDEREUQCSA-N 1 2 209.293 1.457 20 0 BDADLO COC(=O)[C@@H](C)SCc1ccc[nH+]c1N ZINC000603313780 349911707 /nfs/dbraw/zinc/91/17/07/349911707.db2.gz GKPZEVFFGHAPIF-SSDOTTSWSA-N 1 2 226.301 1.459 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000227505182 344466814 /nfs/dbraw/zinc/46/68/14/344466814.db2.gz VZCARBHSKPUGAP-RNJXMRFFSA-N 1 2 203.307 1.032 20 0 BDADLO Cc1cnc(C[N@H+]2CCNC(=O)C[C@@H]2C)s1 ZINC000678529318 488264222 /nfs/dbraw/zinc/26/42/22/488264222.db2.gz AWCWKXAIGQKOPN-QMMMGPOBSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cnc(C[N@@H+]2CCNC(=O)C[C@@H]2C)s1 ZINC000678529318 488264224 /nfs/dbraw/zinc/26/42/24/488264224.db2.gz AWCWKXAIGQKOPN-QMMMGPOBSA-N 1 2 239.344 1.162 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OC ZINC000381474412 344510551 /nfs/dbraw/zinc/51/05/51/344510551.db2.gz QACPIPOEDBAPGN-GXSJLCMTSA-N 1 2 229.320 1.343 20 0 BDADLO O=[N+]([O-])c1cc(C[NH2+]Cc2cocn2)cs1 ZINC000381602120 344525570 /nfs/dbraw/zinc/52/55/70/344525570.db2.gz OGKUBTUWRHHHPZ-UHFFFAOYSA-N 1 2 239.256 1.934 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cncc(Cl)n1 ZINC000043538113 344526677 /nfs/dbraw/zinc/52/66/77/344526677.db2.gz WSTQJYKCKYSMIP-QMMMGPOBSA-N 1 2 237.694 1.827 20 0 BDADLO Cc1cncnc1N(C)CCCn1cc[nH+]c1 ZINC000641446868 362423040 /nfs/dbraw/zinc/42/30/40/362423040.db2.gz NBWKHNJWCHKPCF-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO CCn1c(C)nnc1SCc1cn(C)c[nH+]1 ZINC000641451935 362426019 /nfs/dbraw/zinc/42/60/19/362426019.db2.gz ZDUXUYMZPKHXBV-UHFFFAOYSA-N 1 2 237.332 1.632 20 0 BDADLO CCC(CC)(CO)CNc1cc(CO)cc[nH+]1 ZINC000641460186 362433617 /nfs/dbraw/zinc/43/36/17/362433617.db2.gz PDYNTFGGEJYBKS-UHFFFAOYSA-N 1 2 238.331 1.785 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)c1cc(CO)cc[nH+]1 ZINC000641461133 362435578 /nfs/dbraw/zinc/43/55/78/362435578.db2.gz GUYDXDDJZFQEIK-RYUDHWBXSA-N 1 2 236.315 1.171 20 0 BDADLO CCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000279321641 168486868 /nfs/dbraw/zinc/48/68/68/168486868.db2.gz BXCIOOIYCORDDH-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2CCCO2)[nH+]1 ZINC000048411062 344587470 /nfs/dbraw/zinc/58/74/70/344587470.db2.gz XZPZKLSXLMNDQB-MRVPVSSYSA-N 1 2 225.317 1.638 20 0 BDADLO C[C@@H](C[C@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641436066 362417692 /nfs/dbraw/zinc/41/76/92/362417692.db2.gz NENBPGFWDGXEJY-VHSXEESVSA-N 1 2 224.279 1.870 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCCOCC2)c1 ZINC000641481113 362448439 /nfs/dbraw/zinc/44/84/39/362448439.db2.gz UKBCPDGBQCSBBX-NSHDSACASA-N 1 2 222.288 1.555 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000641481285 362449146 /nfs/dbraw/zinc/44/91/46/362449146.db2.gz WJOXCXFEKDKVCD-VXGBXAGGSA-N 1 2 236.315 1.801 20 0 BDADLO OC[C@H](CC1CCC1)Nc1cc[nH+]cc1F ZINC000641545229 362492132 /nfs/dbraw/zinc/49/21/32/362492132.db2.gz BVXOVUOJNTXQOB-JTQLQIEISA-N 1 2 224.279 1.606 20 0 BDADLO CC(C)N1CCN(c2cc[nH+]cc2F)CC1=O ZINC000641484779 362452179 /nfs/dbraw/zinc/45/21/79/362452179.db2.gz XTBCKJUDLQJJIE-UHFFFAOYSA-N 1 2 237.278 1.278 20 0 BDADLO C[C@H](O)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641484264 362452430 /nfs/dbraw/zinc/45/24/30/362452430.db2.gz LYDLBZSOGFMOQY-IUCAKERBSA-N 1 2 210.252 1.428 20 0 BDADLO CCc1cnc(CNc2cc(CO)cc[nH+]2)o1 ZINC000641499189 362463223 /nfs/dbraw/zinc/46/32/23/362463223.db2.gz WNJLVUVVOIGNPW-UHFFFAOYSA-N 1 2 233.271 1.736 20 0 BDADLO Fc1c[nH+]ccc1N1CCO[C@H](C2CC2)C1 ZINC000641500368 362463358 /nfs/dbraw/zinc/46/33/58/362463358.db2.gz GHSRGTMQRMFXFG-LBPRGKRZSA-N 1 2 222.263 1.836 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)CC[C@H]1O ZINC000641502007 362464450 /nfs/dbraw/zinc/46/44/50/362464450.db2.gz ACNADMWWVFYWMO-GZMMTYOYSA-N 1 2 210.252 1.428 20 0 BDADLO OCC[C@H]1CCC[C@H]1Nc1cc[nH+]cc1F ZINC000641503921 362466260 /nfs/dbraw/zinc/46/62/60/362466260.db2.gz JAVGZTFIVKKUPW-MWLCHTKSSA-N 1 2 224.279 1.606 20 0 BDADLO CCO[C@@H](C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000625966901 344617957 /nfs/dbraw/zinc/61/79/57/344617957.db2.gz MUUZEJJSILLDKO-LLVKDONJSA-N 1 2 237.303 1.149 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](C2CC2)O1 ZINC000641546744 362493174 /nfs/dbraw/zinc/49/31/74/362493174.db2.gz YREYMVBLKPBDMT-GWCFXTLKSA-N 1 2 248.326 1.578 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]cc2F)[C@@H]1CO ZINC000641524001 362474369 /nfs/dbraw/zinc/47/43/69/362474369.db2.gz BZWUYDFKSMMTGK-LDYMZIIASA-N 1 2 210.252 1.428 20 0 BDADLO Fc1c[nH+]ccc1NC[C@H]1CCSC1 ZINC000641543302 362490912 /nfs/dbraw/zinc/49/09/12/362490912.db2.gz FIMMOGOPTIFZPM-MRVPVSSYSA-N 1 2 212.293 1.808 20 0 BDADLO CCc1nsc(N[C@H]2CCC[C@@H]2[NH+](C)C)n1 ZINC000348190162 344649689 /nfs/dbraw/zinc/64/96/89/344649689.db2.gz YSSQTOIQHAFHBF-IUCAKERBSA-N 1 2 240.376 1.417 20 0 BDADLO COC(=O)c1ccnc(N(C)Cc2[nH]cc[nH+]2)c1 ZINC000603299398 349915026 /nfs/dbraw/zinc/91/50/26/349915026.db2.gz UHWGFIDGKVLLHH-UHFFFAOYSA-N 1 2 246.270 1.228 20 0 BDADLO CCc1cc(N(C)C[C@H](C)C(=O)OC)nc[nH+]1 ZINC000050087719 344640355 /nfs/dbraw/zinc/64/03/55/344640355.db2.gz DIUXHBKFRKJYGI-VIFPVBQESA-N 1 2 237.303 1.284 20 0 BDADLO CS[C@@H](CO)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603295362 349915089 /nfs/dbraw/zinc/91/50/89/349915089.db2.gz LCRKDLHPZQVULC-SCZZXKLOSA-N 1 2 242.344 1.098 20 0 BDADLO COC(=O)[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000603301700 349915686 /nfs/dbraw/zinc/91/56/86/349915686.db2.gz XNHPRBXCGTYTQU-VIFPVBQESA-N 1 2 238.262 1.610 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccco1 ZINC000578023989 344686135 /nfs/dbraw/zinc/68/61/35/344686135.db2.gz KRMQBCGONZVJJK-JTQLQIEISA-N 1 2 247.298 1.540 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccco1 ZINC000578023989 344686136 /nfs/dbraw/zinc/68/61/36/344686136.db2.gz KRMQBCGONZVJJK-JTQLQIEISA-N 1 2 247.298 1.540 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046373 344696892 /nfs/dbraw/zinc/69/68/92/344696892.db2.gz APHATDAVZGVNBM-PHIMTYICSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046373 344696893 /nfs/dbraw/zinc/69/68/93/344696893.db2.gz APHATDAVZGVNBM-PHIMTYICSA-N 1 2 238.335 1.062 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@H]1CC1(F)F ZINC000623032956 347067437 /nfs/dbraw/zinc/06/74/37/347067437.db2.gz BAMQPKPSNTXPOH-QMMMGPOBSA-N 1 2 229.230 1.045 20 0 BDADLO C[C@H](NC(=O)c1cccnc1)c1[nH+]ccn1C ZINC000082278874 344715380 /nfs/dbraw/zinc/71/53/80/344715380.db2.gz DXRZBBKKUDPWKN-VIFPVBQESA-N 1 2 230.271 1.306 20 0 BDADLO Cn1cc[nH+]c1CSc1cnccn1 ZINC000074790657 344759880 /nfs/dbraw/zinc/75/98/80/344759880.db2.gz FASMZLIKWSIWLG-UHFFFAOYSA-N 1 2 206.274 1.502 20 0 BDADLO CCSCC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000075418478 344771184 /nfs/dbraw/zinc/77/11/84/344771184.db2.gz URXPIUVYGREDRU-QMMMGPOBSA-N 1 2 241.360 1.980 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075531593 344774152 /nfs/dbraw/zinc/77/41/52/344774152.db2.gz ZGSREZBFFKZHKG-UWVGGRQHSA-N 1 2 237.303 1.151 20 0 BDADLO CC(C)CCNC(=O)NCc1c[nH+]cn1C ZINC000291089803 537856361 /nfs/dbraw/zinc/85/63/61/537856361.db2.gz JFTFEAFTSSGSQT-UHFFFAOYSA-N 1 2 224.308 1.265 20 0 BDADLO CCc1cnc(C[NH+]2CCC(O)CC2)o1 ZINC000075621111 344781434 /nfs/dbraw/zinc/78/14/34/344781434.db2.gz VYBVLGIZBRDFNF-UHFFFAOYSA-N 1 2 210.277 1.194 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551537 344779301 /nfs/dbraw/zinc/77/93/01/344779301.db2.gz RKXFJPCHZQTRDM-VIFPVBQESA-N 1 2 245.286 1.153 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551537 344779303 /nfs/dbraw/zinc/77/93/03/344779303.db2.gz RKXFJPCHZQTRDM-VIFPVBQESA-N 1 2 245.286 1.153 20 0 BDADLO CC[C@@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000075624793 344781445 /nfs/dbraw/zinc/78/14/45/344781445.db2.gz MBNFRBUPNHZQOH-MRVPVSSYSA-N 1 2 233.262 1.481 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000075624793 344781447 /nfs/dbraw/zinc/78/14/47/344781447.db2.gz MBNFRBUPNHZQOH-MRVPVSSYSA-N 1 2 233.262 1.481 20 0 BDADLO CCc1cnc(C[NH+]2CCSCC2)o1 ZINC000075638588 344782134 /nfs/dbraw/zinc/78/21/34/344782134.db2.gz ROPMIQCSBGCLSY-UHFFFAOYSA-N 1 2 212.318 1.786 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000075637005 344782201 /nfs/dbraw/zinc/78/22/01/344782201.db2.gz DAUVMAJJQHFLIY-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000075637005 344782203 /nfs/dbraw/zinc/78/22/03/344782203.db2.gz DAUVMAJJQHFLIY-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000628140460 344805751 /nfs/dbraw/zinc/80/57/51/344805751.db2.gz LGUOQDWWKPLKSG-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000628140460 344805752 /nfs/dbraw/zinc/80/57/52/344805752.db2.gz LGUOQDWWKPLKSG-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO CC(C)[C@@H](C)N(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000076830154 344807002 /nfs/dbraw/zinc/80/70/02/344807002.db2.gz AEUXGCKEDJNGNH-LLVKDONJSA-N 1 2 235.331 1.919 20 0 BDADLO CCc1cc(NCc2cccnn2)nc[nH+]1 ZINC000234168016 537862657 /nfs/dbraw/zinc/86/26/57/537862657.db2.gz MIHUOSVLXVGPMB-UHFFFAOYSA-N 1 2 215.260 1.441 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000078259442 344839173 /nfs/dbraw/zinc/83/91/73/344839173.db2.gz DERVLRBYZCXNST-MRVPVSSYSA-N 1 2 243.332 1.020 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cnc(C)o1 ZINC000628145015 344824681 /nfs/dbraw/zinc/82/46/81/344824681.db2.gz ALYSFVYXLFESIO-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cnc(C)o1 ZINC000628145015 344824682 /nfs/dbraw/zinc/82/46/82/344824682.db2.gz ALYSFVYXLFESIO-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cscn2)[nH+]1 ZINC000628155974 344846665 /nfs/dbraw/zinc/84/66/65/344846665.db2.gz WEFGDWXGPYRUAS-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1ncc(CN2CCn3cc[nH+]c3C2)o1 ZINC000628161942 344859731 /nfs/dbraw/zinc/85/97/31/344859731.db2.gz XREXQSXGHQWFHQ-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CC[N@H+](Cc1cccs1)Cc1cnnn1C ZINC000119989979 344872807 /nfs/dbraw/zinc/87/28/07/344872807.db2.gz GZPUKYZPMNNCOD-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@@H+](Cc1cccs1)Cc1cnnn1C ZINC000119989979 344872810 /nfs/dbraw/zinc/87/28/10/344872810.db2.gz GZPUKYZPMNNCOD-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO COC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000042567966 344873736 /nfs/dbraw/zinc/87/37/36/344873736.db2.gz IYXUWFCIQFOKHG-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccn2C)no1 ZINC000050596297 344901201 /nfs/dbraw/zinc/90/12/01/344901201.db2.gz JDGGKIHLNVUAKG-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO COc1cc(C[NH2+]Cc2nccs2)ccn1 ZINC000082394154 344903223 /nfs/dbraw/zinc/90/32/23/344903223.db2.gz BWDJLDYGNBWQHC-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO C/C=C/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000078767209 344904154 /nfs/dbraw/zinc/90/41/54/344904154.db2.gz SJTKQYSXIAWJEF-IAROGAJJSA-N 1 2 205.261 1.132 20 0 BDADLO C[N@@H+]1CCC[C@H](NCc2nccs2)C1 ZINC000082394402 344905654 /nfs/dbraw/zinc/90/56/54/344905654.db2.gz RVYZTWCRYLEBFJ-VIFPVBQESA-N 1 2 211.334 1.327 20 0 BDADLO C[N@H+]1CCC[C@H](NCc2nccs2)C1 ZINC000082394402 344905656 /nfs/dbraw/zinc/90/56/56/344905656.db2.gz RVYZTWCRYLEBFJ-VIFPVBQESA-N 1 2 211.334 1.327 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccn1C ZINC000078963374 344926301 /nfs/dbraw/zinc/92/63/01/344926301.db2.gz DUNIQJWSPZOWCQ-SNVBAGLBSA-N 1 2 232.287 1.040 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000583419510 344930181 /nfs/dbraw/zinc/93/01/81/344930181.db2.gz MDUWQKKJQHVYHY-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000583419510 344930183 /nfs/dbraw/zinc/93/01/83/344930183.db2.gz MDUWQKKJQHVYHY-JTQLQIEISA-N 1 2 238.287 1.488 20 0 BDADLO Nc1nc(N2CCCCC2)nc(C2CC2)[nH+]1 ZINC000082664914 537874656 /nfs/dbraw/zinc/87/46/56/537874656.db2.gz CNSNYWYRKBIDDJ-UHFFFAOYSA-N 1 2 219.292 1.322 20 0 BDADLO Nc1nc(C2CC2)[nH+]c(N2CCCCC2)n1 ZINC000082664914 537874662 /nfs/dbraw/zinc/87/46/62/537874662.db2.gz CNSNYWYRKBIDDJ-UHFFFAOYSA-N 1 2 219.292 1.322 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)o1 ZINC000628178793 344913501 /nfs/dbraw/zinc/91/35/01/344913501.db2.gz CEUQOVKCWLYEJY-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC(C)(C)[C@@H]2C)o1 ZINC000628178793 344913502 /nfs/dbraw/zinc/91/35/02/344913502.db2.gz CEUQOVKCWLYEJY-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cccn2C)[nH+]c1C ZINC000628181486 344920800 /nfs/dbraw/zinc/92/08/00/344920800.db2.gz FAPBKVOTTKMLGC-UHFFFAOYSA-N 1 2 232.331 1.997 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cccn2C)[nH+]1 ZINC000628181371 344921127 /nfs/dbraw/zinc/92/11/27/344921127.db2.gz AUZITFCGTIYNLH-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO O=C(/C=C/C1CC1)NCc1cn2ccccc2[nH+]1 ZINC000079302233 344953648 /nfs/dbraw/zinc/95/36/48/344953648.db2.gz PHPBHLTUOOEVNS-VOTSOKGWSA-N 1 2 241.294 1.917 20 0 BDADLO O=C(CCC(F)(F)F)NCCn1cc[nH+]c1 ZINC000079543334 344987032 /nfs/dbraw/zinc/98/70/32/344987032.db2.gz KOYJODCVVNVTPM-UHFFFAOYSA-N 1 2 235.209 1.342 20 0 BDADLO CCNC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000641578297 362516227 /nfs/dbraw/zinc/51/62/27/362516227.db2.gz QVJABDXSELNHNR-UHFFFAOYSA-N 1 2 249.305 1.283 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cccnc1C ZINC000155114140 345068447 /nfs/dbraw/zinc/06/84/47/345068447.db2.gz DGPZINTUMBXWTR-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccnc1C ZINC000155114140 345068448 /nfs/dbraw/zinc/06/84/48/345068448.db2.gz DGPZINTUMBXWTR-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO C[C@H](CC(C)(C)O)Nc1cc[nH+]cc1F ZINC000641615378 362548429 /nfs/dbraw/zinc/54/84/29/362548429.db2.gz BSKDXNLHMKHODS-MRVPVSSYSA-N 1 2 212.268 1.604 20 0 BDADLO C[C@H](CCCO)CNc1cc[nH+]cc1F ZINC000641615765 362548538 /nfs/dbraw/zinc/54/85/38/362548538.db2.gz QWUUNLRKGMKKEJ-SECBINFHSA-N 1 2 212.268 1.463 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CC[C@@H](CO)C2)c1 ZINC000641617013 362549455 /nfs/dbraw/zinc/54/94/55/362549455.db2.gz XRDOMFVONDTYDX-KOLCDFICSA-N 1 2 222.288 1.147 20 0 BDADLO CCOC1(C)CN(c2cc[nH+]cc2F)C1 ZINC000641614660 362550919 /nfs/dbraw/zinc/55/09/19/362550919.db2.gz SHCPDEHSQIMNKS-UHFFFAOYSA-N 1 2 210.252 1.836 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H](n3cccn3)C2)c1 ZINC000641622921 362554228 /nfs/dbraw/zinc/55/42/28/362554228.db2.gz NZXXFKOQEKZAHW-LBPRGKRZSA-N 1 2 244.298 1.222 20 0 BDADLO Cc1cc(NCc2cc3n(n2)CCCC3)nc[nH+]1 ZINC000641654417 362577101 /nfs/dbraw/zinc/57/71/01/362577101.db2.gz ARTLNJVMWXFEAV-UHFFFAOYSA-N 1 2 243.314 1.352 20 0 BDADLO OCc1cc[nH+]c(N[C@H](CO)C2CCC2)c1 ZINC000641656073 362580019 /nfs/dbraw/zinc/58/00/19/362580019.db2.gz BIKFYJSRQMBMBU-LLVKDONJSA-N 1 2 222.288 1.147 20 0 BDADLO CO[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C12CCC2 ZINC000641629247 362559583 /nfs/dbraw/zinc/55/95/83/362559583.db2.gz FIRCSUMBSURXPJ-NWDGAFQWSA-N 1 2 248.326 1.943 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@@H](C3CCC3)C2)c1 ZINC000641631530 362562804 /nfs/dbraw/zinc/56/28/04/362562804.db2.gz DWZMOVAZLMFILJ-CYBMUJFWSA-N 1 2 248.326 1.579 20 0 BDADLO OCc1ccc(C[NH2+]Cc2ccon2)cc1F ZINC000634955885 345133859 /nfs/dbraw/zinc/13/38/59/345133859.db2.gz SKHNEHQDPXWCML-UHFFFAOYSA-N 1 2 236.246 1.596 20 0 BDADLO CC(C)(C)N1C[C@H]([NH2+]Cc2ccon2)CC1=O ZINC000634966209 345138350 /nfs/dbraw/zinc/13/83/50/345138350.db2.gz FRUSCHZHZWRPRB-SNVBAGLBSA-N 1 2 237.303 1.164 20 0 BDADLO CC(C)(C)N1C[C@@H]([NH2+]Cc2ccon2)CC1=O ZINC000634966208 345138405 /nfs/dbraw/zinc/13/84/05/345138405.db2.gz FRUSCHZHZWRPRB-JTQLQIEISA-N 1 2 237.303 1.164 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccon1 ZINC000634967014 345139153 /nfs/dbraw/zinc/13/91/53/345139153.db2.gz DFEHFIZUKNVUDP-CHWSQXEVSA-N 1 2 230.267 1.423 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156432771 345157658 /nfs/dbraw/zinc/15/76/58/345157658.db2.gz ODINZPUDVJFDRT-SRVKXCTJSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156432771 345157659 /nfs/dbraw/zinc/15/76/59/345157659.db2.gz ODINZPUDVJFDRT-SRVKXCTJSA-N 1 2 242.363 1.256 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)CC)[nH+]1 ZINC000635056486 345230229 /nfs/dbraw/zinc/23/02/29/345230229.db2.gz BUYHLZMUDPAJTJ-MRVPVSSYSA-N 1 2 209.293 1.429 20 0 BDADLO CC(C)C[C@H](C(=O)N1CCC1)n1cc[nH+]c1 ZINC000635138379 345256818 /nfs/dbraw/zinc/25/68/18/345256818.db2.gz XGDHFVOIOYYXAG-LLVKDONJSA-N 1 2 221.304 1.703 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)[C@H](C)C2CC2)[nH+]1 ZINC000635189755 345269071 /nfs/dbraw/zinc/26/90/71/345269071.db2.gz ZSEPBVLIDYKZHU-SECBINFHSA-N 1 2 235.331 1.772 20 0 BDADLO CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635247817 345284110 /nfs/dbraw/zinc/28/41/10/345284110.db2.gz XDESJHNLCXHXFJ-NSHDSACASA-N 1 2 223.320 1.949 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C1CCC1 ZINC000080596953 345322614 /nfs/dbraw/zinc/32/26/14/345322614.db2.gz NJHIUMQAESOZEQ-SNVBAGLBSA-N 1 2 236.319 1.466 20 0 BDADLO CC[NH+]1CCC([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000335349293 345288370 /nfs/dbraw/zinc/28/83/70/345288370.db2.gz QKVCDVPDHSAIHQ-TZMCWYRMSA-N 1 2 239.407 1.387 20 0 BDADLO CC[NH+]1CCC([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000335349293 345288374 /nfs/dbraw/zinc/28/83/74/345288374.db2.gz QKVCDVPDHSAIHQ-TZMCWYRMSA-N 1 2 239.407 1.387 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635298849 345297000 /nfs/dbraw/zinc/29/70/00/345297000.db2.gz ARKYQKOXCVRQJD-ZYUZMQFOSA-N 1 2 219.288 1.285 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635298849 345297003 /nfs/dbraw/zinc/29/70/03/345297003.db2.gz ARKYQKOXCVRQJD-ZYUZMQFOSA-N 1 2 219.288 1.285 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](n2cccn2)C1 ZINC000564739432 345341051 /nfs/dbraw/zinc/34/10/51/345341051.db2.gz BJLWHHMLGDQAPA-GFCCVEGCSA-N 1 2 243.314 1.741 20 0 BDADLO Cc1nc(N(C)CC2N=NC(=O)O2)c(C)c(C)[nH+]1 ZINC000425276257 192087766 /nfs/dbraw/zinc/08/77/66/192087766.db2.gz DJIICQMTQOYLHE-UHFFFAOYSA-N 1 2 249.274 1.127 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635415580 345355934 /nfs/dbraw/zinc/35/59/34/345355934.db2.gz UAEDRIUBILVNIZ-RKDXNWHRSA-N 1 2 221.304 1.676 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635415580 345355935 /nfs/dbraw/zinc/35/59/35/345355935.db2.gz UAEDRIUBILVNIZ-RKDXNWHRSA-N 1 2 221.304 1.676 20 0 BDADLO CC1(C)COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635417463 345357015 /nfs/dbraw/zinc/35/70/15/345357015.db2.gz ZJBZRZMVRFENKF-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO CC1(C)COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635417463 345357016 /nfs/dbraw/zinc/35/70/16/345357016.db2.gz ZJBZRZMVRFENKF-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)c(C)c[nH+]1 ZINC000408474328 345333023 /nfs/dbraw/zinc/33/30/23/345333023.db2.gz QBUYMCICUGNSMN-RYUDHWBXSA-N 1 2 248.326 1.874 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CCC[C@H]2C)[nH+]1 ZINC000635506857 345406047 /nfs/dbraw/zinc/40/60/47/345406047.db2.gz WHJDOTCUGSTPHD-KOLCDFICSA-N 1 2 235.331 1.819 20 0 BDADLO Cn1cc(C[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000080672718 345416731 /nfs/dbraw/zinc/41/67/31/345416731.db2.gz SMAWJSTWHWQNCN-LBPRGKRZSA-N 1 2 242.326 1.884 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC(=O)N(C)C)[nH+]1 ZINC000080949006 345454027 /nfs/dbraw/zinc/45/40/27/345454027.db2.gz PHWWVISHRYBCDB-UHFFFAOYSA-N 1 2 247.302 1.157 20 0 BDADLO CCO[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641658645 362583198 /nfs/dbraw/zinc/58/31/98/362583198.db2.gz IGXYUFYRTWTMMA-XYPYZODXSA-N 1 2 222.288 1.553 20 0 BDADLO CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635490563 345396908 /nfs/dbraw/zinc/39/69/08/345396908.db2.gz SAOCTEVXSJWYDQ-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635490563 345396909 /nfs/dbraw/zinc/39/69/09/345396909.db2.gz SAOCTEVXSJWYDQ-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO Cc1nc(N2Cc3cnn(C)c3C2)c(C)c(C)[nH+]1 ZINC000641675487 362595953 /nfs/dbraw/zinc/59/59/53/362595953.db2.gz AFRUGZQVGRKYGK-UHFFFAOYSA-N 1 2 243.314 1.656 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)C1(CO)CC1 ZINC000641659627 362585362 /nfs/dbraw/zinc/58/53/62/362585362.db2.gz SCRGGCMNOBELLE-MRVPVSSYSA-N 1 2 210.252 1.216 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H]3COC[C@H]3C2)c1 ZINC000641666358 362589427 /nfs/dbraw/zinc/58/94/27/362589427.db2.gz DONMODKQFSFOCB-NWDGAFQWSA-N 1 2 234.299 1.047 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccno2)C1 ZINC000081049429 345459716 /nfs/dbraw/zinc/45/97/16/345459716.db2.gz FZCPTSCBBQPSGK-QMMMGPOBSA-N 1 2 236.193 1.174 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccno2)C1 ZINC000081049429 345459717 /nfs/dbraw/zinc/45/97/17/345459717.db2.gz FZCPTSCBBQPSGK-QMMMGPOBSA-N 1 2 236.193 1.174 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2C=C[C@H](CO)C2)[nH+]1 ZINC000081010527 345460763 /nfs/dbraw/zinc/46/07/63/345460763.db2.gz RJOSFMCYZRUYJC-VHSXEESVSA-N 1 2 244.298 1.615 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CC[C@H](C)O)[nH+]1 ZINC000081019199 345461554 /nfs/dbraw/zinc/46/15/54/345461554.db2.gz HARWNOTUOPFEEL-QMMMGPOBSA-N 1 2 234.303 1.473 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)Nc1cc[nH+]cc1C ZINC000635535139 345486216 /nfs/dbraw/zinc/48/62/16/345486216.db2.gz LHDMSSJNGWHNCL-LLVKDONJSA-N 1 2 236.315 1.548 20 0 BDADLO C[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000085688652 345528544 /nfs/dbraw/zinc/52/85/44/345528544.db2.gz WZOHSLWJMXRBAB-MRVPVSSYSA-N 1 2 203.245 1.423 20 0 BDADLO O[C@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000085682350 345528991 /nfs/dbraw/zinc/52/89/91/345528991.db2.gz QEKHZQALJSWNAN-CYBMUJFWSA-N 1 2 229.283 1.813 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C=C1CCC1 ZINC000087121185 345540130 /nfs/dbraw/zinc/54/01/30/345540130.db2.gz HGIDBERVASLKOD-JTQLQIEISA-N 1 2 219.288 1.498 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C=C1CCC1 ZINC000087121186 345540251 /nfs/dbraw/zinc/54/02/51/345540251.db2.gz HGIDBERVASLKOD-SNVBAGLBSA-N 1 2 219.288 1.498 20 0 BDADLO CC(C)C[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591825 345599916 /nfs/dbraw/zinc/59/99/16/345599916.db2.gz KAGFNGWDPTUVGK-JTQLQIEISA-N 1 2 238.335 1.356 20 0 BDADLO CC(C)C[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591825 345599919 /nfs/dbraw/zinc/59/99/19/345599919.db2.gz KAGFNGWDPTUVGK-JTQLQIEISA-N 1 2 238.335 1.356 20 0 BDADLO Cc1cc(N(C)C[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000091629581 345601934 /nfs/dbraw/zinc/60/19/34/345601934.db2.gz TYRJBOXILGQENX-ZETCQYMHSA-N 1 2 235.209 1.144 20 0 BDADLO Cc1ncccc1N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622624869 345612769 /nfs/dbraw/zinc/61/27/69/345612769.db2.gz CFDJVKLFJQUQOO-UHFFFAOYSA-N 1 2 244.298 1.709 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000092096484 345616248 /nfs/dbraw/zinc/61/62/48/345616248.db2.gz FAKVIHUCHURZSR-SECBINFHSA-N 1 2 242.706 1.643 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)o1 ZINC000092096484 345616249 /nfs/dbraw/zinc/61/62/49/345616249.db2.gz FAKVIHUCHURZSR-SECBINFHSA-N 1 2 242.706 1.643 20 0 BDADLO Cc1ncccc1N(C)C(=O)CCn1cc[nH+]c1 ZINC000622624989 345616453 /nfs/dbraw/zinc/61/64/53/345616453.db2.gz IFAMAYXWUMTQAD-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCO[C@@H]1C ZINC000092373884 345617657 /nfs/dbraw/zinc/61/76/57/345617657.db2.gz BIWKUUCNUXZKIQ-ZJUUUORDSA-N 1 2 220.272 1.754 20 0 BDADLO Cc1nc2c(c(=O)[nH]1)CN(c1cc[nH+]c(C)n1)C2 ZINC000641692189 362606545 /nfs/dbraw/zinc/60/65/45/362606545.db2.gz XACGATJTYHYOGR-UHFFFAOYSA-N 1 2 243.270 1.109 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccncc2N)cs1 ZINC000641707946 362619325 /nfs/dbraw/zinc/61/93/25/362619325.db2.gz MEDJMTHZYYBVLM-UHFFFAOYSA-N 1 2 234.328 1.719 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000378840481 345667468 /nfs/dbraw/zinc/66/74/68/345667468.db2.gz XSZOKZQAPOZSEU-GXSJLCMTSA-N 1 2 243.347 1.731 20 0 BDADLO O[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]cc1F)C2 ZINC000641683715 362602681 /nfs/dbraw/zinc/60/26/81/362602681.db2.gz OLQJBNXUXOWQTQ-KXUCPTDWSA-N 1 2 222.263 1.570 20 0 BDADLO CN(CCNc1cc[nH+]cc1F)CC(F)F ZINC000641680959 362603313 /nfs/dbraw/zinc/60/33/13/362603313.db2.gz WVJOFSRMOWIZCO-UHFFFAOYSA-N 1 2 233.237 1.251 20 0 BDADLO OCC[N@H+](Cc1cncs1)Cc1cccnc1 ZINC000093085747 345656678 /nfs/dbraw/zinc/65/66/78/345656678.db2.gz CABIZAWEXYRRKS-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO OCC[N@@H+](Cc1cncs1)Cc1cccnc1 ZINC000093085747 345656681 /nfs/dbraw/zinc/65/66/81/345656681.db2.gz CABIZAWEXYRRKS-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000641690777 362605692 /nfs/dbraw/zinc/60/56/92/362605692.db2.gz SCBBOIFWUCVBBT-SKDRFNHKSA-N 1 2 222.263 1.622 20 0 BDADLO C[C@@H]1C[C@H]1Cn1cc[nH+]c1CN1CCOCC1 ZINC000641728414 362648942 /nfs/dbraw/zinc/64/89/42/362648942.db2.gz SGPXNELVABNQPS-NEPJUHHUSA-N 1 2 235.331 1.371 20 0 BDADLO c1cn(CC2CCC2)c(CN2CCOCC2)[nH+]1 ZINC000641724118 362638880 /nfs/dbraw/zinc/63/88/80/362638880.db2.gz DDUKBVZSLXZYHY-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)nc1 ZINC000200061820 345728565 /nfs/dbraw/zinc/72/85/65/345728565.db2.gz GEPFDPGCPVSEKC-QMMMGPOBSA-N 1 2 241.241 1.326 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cn[nH]c1 ZINC000379051773 345775755 /nfs/dbraw/zinc/77/57/55/345775755.db2.gz KFIDRIXAMLPFQF-WCABBAIRSA-N 1 2 231.303 1.963 20 0 BDADLO CC(=O)NCCC[N@@H+](C)Cc1cscn1 ZINC000138837265 345787909 /nfs/dbraw/zinc/78/79/09/345787909.db2.gz NFLMPCXJNZUKFX-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO CC(=O)NCCC[N@H+](C)Cc1cscn1 ZINC000138837265 345787913 /nfs/dbraw/zinc/78/79/13/345787913.db2.gz NFLMPCXJNZUKFX-UHFFFAOYSA-N 1 2 227.333 1.101 20 0 BDADLO C[N@@H+]1CCc2ncnc(NC[C@@H]3CC34CC4)c2C1 ZINC000418986141 192091447 /nfs/dbraw/zinc/09/14/47/192091447.db2.gz GFVZUSGBHLYGTQ-JTQLQIEISA-N 1 2 244.342 1.098 20 0 BDADLO C[N@H+]1CCc2ncnc(NC[C@@H]3CC34CC4)c2C1 ZINC000418986141 192091448 /nfs/dbraw/zinc/09/14/48/192091448.db2.gz GFVZUSGBHLYGTQ-JTQLQIEISA-N 1 2 244.342 1.098 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccoc1 ZINC000222035693 323096757 /nfs/dbraw/zinc/09/67/57/323096757.db2.gz XXAQKVQWKAMOMX-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)Cc2ccon2)[nH+]1 ZINC000635594110 345881310 /nfs/dbraw/zinc/88/13/10/345881310.db2.gz CUFDHYMWBWGQLK-UHFFFAOYSA-N 1 2 248.286 1.161 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H](C)[C@H]2C)[nH+]1 ZINC000635650385 345928752 /nfs/dbraw/zinc/92/87/52/345928752.db2.gz XQPVNIFHFHKGTB-VHSXEESVSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1cn2ccc(C(=O)N(C)C[C@H](C)O)cc2[nH+]1 ZINC000635642207 345915653 /nfs/dbraw/zinc/91/56/53/345915653.db2.gz MGOWCOJBZZVWCY-JTQLQIEISA-N 1 2 247.298 1.096 20 0 BDADLO CNc1cc(NC[C@@H]2CCCO2)[nH+]cn1 ZINC000087808366 345942342 /nfs/dbraw/zinc/94/23/42/345942342.db2.gz UKUWPBXWVZETPM-QMMMGPOBSA-N 1 2 208.265 1.109 20 0 BDADLO CCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000123077668 323101528 /nfs/dbraw/zinc/10/15/28/323101528.db2.gz VNJMXQMPKVZXSQ-UHFFFAOYSA-N 1 2 209.293 1.649 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635719237 346029046 /nfs/dbraw/zinc/02/90/46/346029046.db2.gz SJKMGHPCJGASKT-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635719237 346029050 /nfs/dbraw/zinc/02/90/50/346029050.db2.gz SJKMGHPCJGASKT-GHMZBOCLSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@@H]1COCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635719727 346029622 /nfs/dbraw/zinc/02/96/22/346029622.db2.gz NIPVULWCULHYGN-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H]1COCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635719727 346029623 /nfs/dbraw/zinc/02/96/23/346029623.db2.gz NIPVULWCULHYGN-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CCc1cc(Nc2ccc(NC)[nH+]c2)ncn1 ZINC000603385328 349941725 /nfs/dbraw/zinc/94/17/25/349941725.db2.gz LYZLRXZGNWMLKM-UHFFFAOYSA-N 1 2 229.287 1.641 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000635736666 346044802 /nfs/dbraw/zinc/04/48/02/346044802.db2.gz XMRMTJIMLZHXHT-RKDXNWHRSA-N 1 2 219.288 1.572 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000635736666 346044803 /nfs/dbraw/zinc/04/48/03/346044803.db2.gz XMRMTJIMLZHXHT-RKDXNWHRSA-N 1 2 219.288 1.572 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)C2CCC2)[nH+]1 ZINC000635735823 346044845 /nfs/dbraw/zinc/04/48/45/346044845.db2.gz KRAVIZDONZEKHZ-VIFPVBQESA-N 1 2 235.331 1.819 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC1 ZINC000635738036 346045434 /nfs/dbraw/zinc/04/54/34/346045434.db2.gz ZFMPMIIQJMLWGB-JMJZKYOTSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC1 ZINC000635738036 346045436 /nfs/dbraw/zinc/04/54/36/346045436.db2.gz ZFMPMIIQJMLWGB-JMJZKYOTSA-N 1 2 233.315 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H]3CCC[C@H]32)[nH+]1 ZINC000635823811 346078569 /nfs/dbraw/zinc/07/85/69/346078569.db2.gz VQBWYYCKQGOLAZ-ZYHUDNBSSA-N 1 2 247.342 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)N2[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000635875906 346095948 /nfs/dbraw/zinc/09/59/48/346095948.db2.gz RNPUHXPVMRONSA-IUCAKERBSA-N 1 2 221.304 1.524 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCCOC1 ZINC000635917413 346109061 /nfs/dbraw/zinc/10/90/61/346109061.db2.gz ZMQRJLWVJWYADY-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000635917413 346109064 /nfs/dbraw/zinc/10/90/64/346109064.db2.gz ZMQRJLWVJWYADY-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC[C@@H](C)F)[nH+]1 ZINC000635967137 346126601 /nfs/dbraw/zinc/12/66/01/346126601.db2.gz XTFDSIBSJVDLJP-MRVPVSSYSA-N 1 2 227.283 1.379 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635978823 346127594 /nfs/dbraw/zinc/12/75/94/346127594.db2.gz VVXXLUAPYSRLEF-KKZNHRDASA-N 1 2 249.314 1.197 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635978823 346127597 /nfs/dbraw/zinc/12/75/97/346127597.db2.gz VVXXLUAPYSRLEF-KKZNHRDASA-N 1 2 249.314 1.197 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635957246 346132289 /nfs/dbraw/zinc/13/22/89/346132289.db2.gz HPGXUWYOPULTKX-OPRDCNLKSA-N 1 2 219.288 1.524 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635957246 346132291 /nfs/dbraw/zinc/13/22/91/346132291.db2.gz HPGXUWYOPULTKX-OPRDCNLKSA-N 1 2 219.288 1.524 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H]2CC)[nH+]1 ZINC000635957873 346132360 /nfs/dbraw/zinc/13/23/60/346132360.db2.gz PYGDPPHHESHWFG-SNVBAGLBSA-N 1 2 221.304 1.526 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCOC3)cc2[nH+]1 ZINC000635982724 346136058 /nfs/dbraw/zinc/13/60/58/346136058.db2.gz GNDXQVZCJYFWNX-UHFFFAOYSA-N 1 2 231.255 1.073 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)on1 ZINC000631091643 346168594 /nfs/dbraw/zinc/16/85/94/346168594.db2.gz SUQVCFNGTABRBB-JTQLQIEISA-N 1 2 232.287 1.353 20 0 BDADLO FC1(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000684362226 488301288 /nfs/dbraw/zinc/30/12/88/488301288.db2.gz MYZVSAMTAZBYGY-QWRGUYRKSA-N 1 2 229.295 1.368 20 0 BDADLO FC1(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000684362226 488301290 /nfs/dbraw/zinc/30/12/90/488301290.db2.gz MYZVSAMTAZBYGY-QWRGUYRKSA-N 1 2 229.295 1.368 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]1C1CC1 ZINC000635981754 346147005 /nfs/dbraw/zinc/14/70/05/346147005.db2.gz WXICDOBNVFCIAZ-CKYFFXLPSA-N 1 2 231.299 1.524 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]1C1CC1 ZINC000635981754 346147009 /nfs/dbraw/zinc/14/70/09/346147009.db2.gz WXICDOBNVFCIAZ-CKYFFXLPSA-N 1 2 231.299 1.524 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3ncsc3C2)o1 ZINC000628244596 346209074 /nfs/dbraw/zinc/20/90/74/346209074.db2.gz NVIAUHRTXYASJW-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3ncsc3C2)o1 ZINC000628244596 346209075 /nfs/dbraw/zinc/20/90/75/346209075.db2.gz NVIAUHRTXYASJW-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C(C)C)C2)o1 ZINC000628235127 346188528 /nfs/dbraw/zinc/18/85/28/346188528.db2.gz ZQYPXORHTWGBRP-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C(C)C)C2)o1 ZINC000628235127 346188531 /nfs/dbraw/zinc/18/85/31/346188531.db2.gz ZQYPXORHTWGBRP-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1[nH]c(CN2CCCSCC2)[nH+]c1C ZINC000628234734 346188564 /nfs/dbraw/zinc/18/85/64/346188564.db2.gz LHHSKEBTDVTOCM-UHFFFAOYSA-N 1 2 225.361 1.965 20 0 BDADLO Cc1c[nH]c(CN2CC[C@H](C)[C@H](F)C2)[nH+]1 ZINC000628234730 346188607 /nfs/dbraw/zinc/18/86/07/346188607.db2.gz LEWAEQKYDBEPKH-WCBMZHEXSA-N 1 2 211.284 1.898 20 0 BDADLO CCc1cc(N(C)C[C@H]2CCCO2)nc[nH+]1 ZINC000603389626 349943131 /nfs/dbraw/zinc/94/31/31/349943131.db2.gz LHWZXWLHAWPIOA-LLVKDONJSA-N 1 2 221.304 1.654 20 0 BDADLO Cc1c[nH]c(CN2CC(C)(C)OC[C@@H]2C)[nH+]1 ZINC000628252101 346224135 /nfs/dbraw/zinc/22/41/35/346224135.db2.gz IFAZEDBXVIONRU-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnn(C)c2C)o1 ZINC000628254972 346238890 /nfs/dbraw/zinc/23/88/90/346238890.db2.gz WWFDTXNBTBGTQL-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnn(C)c2C)o1 ZINC000628254972 346238892 /nfs/dbraw/zinc/23/88/92/346238892.db2.gz WWFDTXNBTBGTQL-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1nc(N2CC[C@@H](c3ccco3)C2)nc(N)[nH+]1 ZINC000631115560 346239753 /nfs/dbraw/zinc/23/97/53/346239753.db2.gz VUOJLJKEAZEECR-SECBINFHSA-N 1 2 245.286 1.179 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](c3ccco3)C2)[nH+]1 ZINC000631115560 346239757 /nfs/dbraw/zinc/23/97/57/346239757.db2.gz VUOJLJKEAZEECR-SECBINFHSA-N 1 2 245.286 1.179 20 0 BDADLO C[C@H]1OCC[C@]1(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000332917298 537966852 /nfs/dbraw/zinc/96/68/52/537966852.db2.gz ZDXCAUINLJNQEY-SKDRFNHKSA-N 1 2 237.303 1.026 20 0 BDADLO C[C@H]1OCC[C@]1(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000332917298 537966859 /nfs/dbraw/zinc/96/68/59/537966859.db2.gz ZDXCAUINLJNQEY-SKDRFNHKSA-N 1 2 237.303 1.026 20 0 BDADLO COCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000534324166 323116609 /nfs/dbraw/zinc/11/66/09/323116609.db2.gz VLEGGEMCTVDSLF-UHFFFAOYSA-N 1 2 237.303 1.278 20 0 BDADLO Cc1ncc(C[N@H+](C)C[C@@H](O)C(F)(F)F)o1 ZINC000628279919 346290748 /nfs/dbraw/zinc/29/07/48/346290748.db2.gz HRKJGLOJMBBGJR-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1ncc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)o1 ZINC000628279919 346290752 /nfs/dbraw/zinc/29/07/52/346290752.db2.gz HRKJGLOJMBBGJR-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccncc1N ZINC000641758387 362688267 /nfs/dbraw/zinc/68/82/67/362688267.db2.gz OIDAGYJDPLRIOI-JTQLQIEISA-N 1 2 245.330 1.731 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000636140943 346332840 /nfs/dbraw/zinc/33/28/40/346332840.db2.gz JMKJNFSQMPHVCA-JQWIXIFHSA-N 1 2 247.342 1.916 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccncc2N)c2nccn21 ZINC000641758768 362690566 /nfs/dbraw/zinc/69/05/66/362690566.db2.gz UXFWCDHQASXNFH-CABZTGNLSA-N 1 2 243.314 1.656 20 0 BDADLO CCc1nnc(CNc2cc[nH+]c(C)n2)[nH]1 ZINC000294883904 346315125 /nfs/dbraw/zinc/31/51/25/346315125.db2.gz GGAUQLSJXSBSKR-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H](F)C2)cc[nH+]1 ZINC000679191195 488315509 /nfs/dbraw/zinc/31/55/09/488315509.db2.gz CDGUXGITAAYCID-PSASIEDQSA-N 1 2 209.268 1.969 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000156245969 346364517 /nfs/dbraw/zinc/36/45/17/346364517.db2.gz CQFOYKFMTIQEJU-ZJUUUORDSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC(C)(C)C ZINC000156245969 346364520 /nfs/dbraw/zinc/36/45/20/346364520.db2.gz CQFOYKFMTIQEJU-ZJUUUORDSA-N 1 2 228.336 1.010 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOCC1CCC1 ZINC000381572451 346373727 /nfs/dbraw/zinc/37/37/27/346373727.db2.gz YAEFXRWMGFECSA-UHFFFAOYSA-N 1 2 223.320 1.624 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2nncn2C)c1 ZINC000299572315 179069200 /nfs/dbraw/zinc/06/92/00/179069200.db2.gz HKDMWKPJIVUXFU-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2nncn2C)c1 ZINC000299572315 179069203 /nfs/dbraw/zinc/06/92/03/179069203.db2.gz HKDMWKPJIVUXFU-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1c(NCc2[nH+]ccn2C(C)C)nnn1C ZINC000641779969 362720269 /nfs/dbraw/zinc/72/02/69/362720269.db2.gz BWCTVJQIDIYIPF-UHFFFAOYSA-N 1 2 234.307 1.513 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ncnn2C)o1 ZINC000173871023 346404021 /nfs/dbraw/zinc/40/40/21/346404021.db2.gz CQBQJZBXNYCSEF-MWLCHTKSSA-N 1 2 246.314 1.821 20 0 BDADLO Cc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)n1 ZINC000336341265 179073082 /nfs/dbraw/zinc/07/30/82/179073082.db2.gz GYYOJGAPVXAXMP-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccc(C[N@H+]2CCCNC(=O)[C@@H]2C)n1 ZINC000336341265 179073085 /nfs/dbraw/zinc/07/30/85/179073085.db2.gz GYYOJGAPVXAXMP-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1C ZINC000127349349 179077269 /nfs/dbraw/zinc/07/72/69/179077269.db2.gz UVYISTHGGFRXNQ-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1C ZINC000127349349 179077271 /nfs/dbraw/zinc/07/72/71/179077271.db2.gz UVYISTHGGFRXNQ-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)C(F)F ZINC000641791753 362732143 /nfs/dbraw/zinc/73/21/43/362732143.db2.gz MSJLKSIZLRXLRE-YUMQZZPRSA-N 1 2 205.248 1.941 20 0 BDADLO C[C@H](N[C@@H]1CCCn2cc[nH+]c21)C(F)F ZINC000641791871 362733295 /nfs/dbraw/zinc/73/32/95/362733295.db2.gz OJNILZPQULIYPC-JGVFFNPUSA-N 1 2 215.247 1.961 20 0 BDADLO COCCn1cc(C[NH2+][C@H](C)C(F)F)cn1 ZINC000641794227 362733812 /nfs/dbraw/zinc/73/38/12/362733812.db2.gz SSNQCBFVBJSLGL-MRVPVSSYSA-N 1 2 233.262 1.273 20 0 BDADLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000170817891 346454106 /nfs/dbraw/zinc/45/41/06/346454106.db2.gz OZWPAPOKEMDJDR-LBPRGKRZSA-N 1 2 249.314 1.131 20 0 BDADLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000170817891 346454110 /nfs/dbraw/zinc/45/41/10/346454110.db2.gz OZWPAPOKEMDJDR-LBPRGKRZSA-N 1 2 249.314 1.131 20 0 BDADLO Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000641798968 362746722 /nfs/dbraw/zinc/74/67/22/362746722.db2.gz RTWNPMNIGWMLHC-YUTCNCBUSA-N 1 2 248.374 1.022 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cnns1 ZINC000381639187 346506383 /nfs/dbraw/zinc/50/63/83/346506383.db2.gz OXQIJCAPJLCVTG-ZCFIWIBFSA-N 1 2 238.316 1.994 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1F ZINC000679225505 488321790 /nfs/dbraw/zinc/32/17/90/488321790.db2.gz QVOMTIPIPCHMGY-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1F ZINC000679225505 488321793 /nfs/dbraw/zinc/32/17/93/488321793.db2.gz QVOMTIPIPCHMGY-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CCN(Cc2c[nH+]cn2C)C[C@H]1F ZINC000679225505 488321795 /nfs/dbraw/zinc/32/17/95/488321795.db2.gz QVOMTIPIPCHMGY-GXSJLCMTSA-N 1 2 211.284 1.600 20 0 BDADLO Cc1nc(C(F)(F)F)nn1Cc1[nH+]ccn1C ZINC000580097318 346523152 /nfs/dbraw/zinc/52/31/52/346523152.db2.gz IJKHQPZAWAALNI-UHFFFAOYSA-N 1 2 245.208 1.387 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCc1ccc(F)cc1 ZINC000186752543 346536391 /nfs/dbraw/zinc/53/63/91/346536391.db2.gz SYXCOPCYIXINSS-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ncn(C)n1)OC ZINC000623015077 346540440 /nfs/dbraw/zinc/54/04/40/346540440.db2.gz BGIDUAKSPIWVOS-DCAQKATOSA-N 1 2 240.351 1.527 20 0 BDADLO C[C@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000186907036 346545697 /nfs/dbraw/zinc/54/56/97/346545697.db2.gz HSYQVZLHBDTUPC-QWRGUYRKSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H](C1CC1)[N@H+](C)Cc1nsc(N(C)C)n1 ZINC000163743024 346574844 /nfs/dbraw/zinc/57/48/44/346574844.db2.gz KMFMZNVQZBANPE-MRVPVSSYSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@H](C1CC1)[N@@H+](C)Cc1nsc(N(C)C)n1 ZINC000163743024 346574849 /nfs/dbraw/zinc/57/48/49/346574849.db2.gz KMFMZNVQZBANPE-MRVPVSSYSA-N 1 2 240.376 1.834 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)NC1CCCCC1 ZINC000636446004 346566806 /nfs/dbraw/zinc/56/68/06/346566806.db2.gz CBYJTRNZRKMHJZ-LLVKDONJSA-N 1 2 248.330 1.440 20 0 BDADLO CCN(Cc1ccoc1)C(=O)CCn1cc[nH+]c1 ZINC000588120957 346635619 /nfs/dbraw/zinc/63/56/19/346635619.db2.gz WITHOQPTAVMVJO-UHFFFAOYSA-N 1 2 247.298 1.915 20 0 BDADLO CC[C@H](CO)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000577147986 365837474 /nfs/dbraw/zinc/83/74/74/365837474.db2.gz PAUWSNZITALWSC-SECBINFHSA-N 1 2 246.314 1.249 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563636034 323132959 /nfs/dbraw/zinc/13/29/59/323132959.db2.gz KHPDGWQEHALEBD-WDEREUQCSA-N 1 2 237.347 1.997 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563636034 323132960 /nfs/dbraw/zinc/13/29/60/323132960.db2.gz KHPDGWQEHALEBD-WDEREUQCSA-N 1 2 237.347 1.997 20 0 BDADLO Cc1nn(C)cc1C[NH2+]CC(C)(F)F ZINC000382046292 347103840 /nfs/dbraw/zinc/10/38/40/347103840.db2.gz ZNAHHQPTEPVADC-UHFFFAOYSA-N 1 2 203.236 1.473 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000378663440 346798433 /nfs/dbraw/zinc/79/84/33/346798433.db2.gz DEPKOJPDAZZQHM-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO CCCCC[N@H+](CCO)Cc1ncnn1CC ZINC000193346009 259394155 /nfs/dbraw/zinc/39/41/55/259394155.db2.gz PCXSHLQOZRYYSI-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1ncnn1CC ZINC000193346009 259394157 /nfs/dbraw/zinc/39/41/57/259394157.db2.gz PCXSHLQOZRYYSI-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387921016 347128366 /nfs/dbraw/zinc/12/83/66/347128366.db2.gz YVEOVIFNGCIWIM-SNVBAGLBSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387921016 347128369 /nfs/dbraw/zinc/12/83/69/347128369.db2.gz YVEOVIFNGCIWIM-SNVBAGLBSA-N 1 2 238.335 1.062 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000387943902 347130657 /nfs/dbraw/zinc/13/06/57/347130657.db2.gz FRLJXOXAEPOVBM-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000387943902 347130660 /nfs/dbraw/zinc/13/06/60/347130660.db2.gz FRLJXOXAEPOVBM-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO Cc1nccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000684619798 488334166 /nfs/dbraw/zinc/33/41/66/488334166.db2.gz PKDZGTZUQKVFAV-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000684619798 488334167 /nfs/dbraw/zinc/33/41/67/488334167.db2.gz PKDZGTZUQKVFAV-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO c1[nH]cc(N[C@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000581469101 347239583 /nfs/dbraw/zinc/23/95/83/347239583.db2.gz QINCJVGSKCRWHU-VIFPVBQESA-N 1 2 207.277 1.923 20 0 BDADLO CO[C@@H](CC(C)C)C[NH+]1CCS(=O)CC1 ZINC000419210512 192104501 /nfs/dbraw/zinc/10/45/01/192104501.db2.gz VENSQMUBMQCNFK-NSHDSACASA-N 1 2 233.377 1.112 20 0 BDADLO C[C@@H]1[NH2+]CCC[C@@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000571423257 323144461 /nfs/dbraw/zinc/14/44/61/323144461.db2.gz KGCRGMIEMBNIMP-IUCAKERBSA-N 1 2 238.335 1.341 20 0 BDADLO COc1ccnc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616921573 347451175 /nfs/dbraw/zinc/45/11/75/347451175.db2.gz WMBBMSJMHNPCPH-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO COc1ccnc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616921573 347451176 /nfs/dbraw/zinc/45/11/76/347451176.db2.gz WMBBMSJMHNPCPH-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO CCC(CC)(CO)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921301 347451418 /nfs/dbraw/zinc/45/14/18/347451418.db2.gz MDIZRCKWYYTOBR-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CCC(CC)(CO)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921301 347451419 /nfs/dbraw/zinc/45/14/19/347451419.db2.gz MDIZRCKWYYTOBR-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000616922195 347452708 /nfs/dbraw/zinc/45/27/08/347452708.db2.gz SQMGDPDQQQHBFV-MYJAWHEDSA-N 1 2 219.288 1.414 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000616922195 347452709 /nfs/dbraw/zinc/45/27/09/347452709.db2.gz SQMGDPDQQQHBFV-MYJAWHEDSA-N 1 2 219.288 1.414 20 0 BDADLO Cc1ccoc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923210 347453399 /nfs/dbraw/zinc/45/33/99/347453399.db2.gz ZBWIJRNJGMBXTJ-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1ccoc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923210 347453400 /nfs/dbraw/zinc/45/34/00/347453400.db2.gz ZBWIJRNJGMBXTJ-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1occc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922504 347453655 /nfs/dbraw/zinc/45/36/55/347453655.db2.gz AYWFKUNIBIBZDZ-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1occc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922504 347453657 /nfs/dbraw/zinc/45/36/57/347453657.db2.gz AYWFKUNIBIBZDZ-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO CCn1nc(C)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924286 347455099 /nfs/dbraw/zinc/45/50/99/347455099.db2.gz CXEPOJPYOJQOJH-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CCn1nc(C)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924286 347455100 /nfs/dbraw/zinc/45/51/00/347455100.db2.gz CXEPOJPYOJQOJH-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC1CCC1 ZINC000616925348 347455546 /nfs/dbraw/zinc/45/55/46/347455546.db2.gz FCZBGBOBRLSNLE-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC1CCC1 ZINC000616925348 347455548 /nfs/dbraw/zinc/45/55/48/347455548.db2.gz FCZBGBOBRLSNLE-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616873444 347435847 /nfs/dbraw/zinc/43/58/47/347435847.db2.gz PRCANXBWJVBUKN-SNVBAGLBSA-N 1 2 239.319 1.006 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC12CCCC2 ZINC000616925796 347456971 /nfs/dbraw/zinc/45/69/71/347456971.db2.gz QIGSTUXXWTZAEX-NSHDSACASA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC12CCCC2 ZINC000616925796 347456973 /nfs/dbraw/zinc/45/69/73/347456973.db2.gz QIGSTUXXWTZAEX-NSHDSACASA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000616928528 347494901 /nfs/dbraw/zinc/49/49/01/347494901.db2.gz DEHRDYRPZWVRLB-DDFAGTSDSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000616928528 347494904 /nfs/dbraw/zinc/49/49/04/347494904.db2.gz DEHRDYRPZWVRLB-DDFAGTSDSA-N 1 2 233.315 1.804 20 0 BDADLO CC[C@](C)(OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928520 347495242 /nfs/dbraw/zinc/49/52/42/347495242.db2.gz CVVAIKXFTBGUQL-NSHDSACASA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@](C)(OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928520 347495243 /nfs/dbraw/zinc/49/52/43/347495243.db2.gz CVVAIKXFTBGUQL-NSHDSACASA-N 1 2 225.292 1.183 20 0 BDADLO Cc1ncccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925937 347457877 /nfs/dbraw/zinc/45/78/77/347457877.db2.gz WJTSXYHAYPDCLI-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1ncccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925937 347457878 /nfs/dbraw/zinc/45/78/78/347457878.db2.gz WJTSXYHAYPDCLI-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1nscc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926558 347458256 /nfs/dbraw/zinc/45/82/56/347458256.db2.gz HPCQRYUEGQUYFI-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO Cc1nscc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926558 347458262 /nfs/dbraw/zinc/45/82/62/347458262.db2.gz HPCQRYUEGQUYFI-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927383 347458275 /nfs/dbraw/zinc/45/82/75/347458275.db2.gz HMZGUSZCLDLTGJ-SECBINFHSA-N 1 2 209.293 1.804 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927383 347458279 /nfs/dbraw/zinc/45/82/79/347458279.db2.gz HMZGUSZCLDLTGJ-SECBINFHSA-N 1 2 209.293 1.804 20 0 BDADLO CC[C@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927384 347458429 /nfs/dbraw/zinc/45/84/29/347458429.db2.gz HMZGUSZCLDLTGJ-VIFPVBQESA-N 1 2 209.293 1.804 20 0 BDADLO CC[C@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927384 347458434 /nfs/dbraw/zinc/45/84/34/347458434.db2.gz HMZGUSZCLDLTGJ-VIFPVBQESA-N 1 2 209.293 1.804 20 0 BDADLO CCc1onc(C)c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927153 347459677 /nfs/dbraw/zinc/45/96/77/347459677.db2.gz BDRIAABMUSDAQH-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CCc1onc(C)c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927153 347459681 /nfs/dbraw/zinc/45/96/81/347459681.db2.gz BDRIAABMUSDAQH-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC[C@@H](C)O)C(C)(C)C ZINC000590706180 347498048 /nfs/dbraw/zinc/49/80/48/347498048.db2.gz MXNYBLYWNBDFLU-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2cccnc2)on1 ZINC000590593449 347477898 /nfs/dbraw/zinc/47/78/98/347477898.db2.gz BCUHSJHZOMYOPF-UHFFFAOYSA-N 1 2 247.254 1.146 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000590598783 347479769 /nfs/dbraw/zinc/47/97/69/347479769.db2.gz AKTNDYFLGRIKSO-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCc2nc[nH]c2C1 ZINC000590598783 347479771 /nfs/dbraw/zinc/47/97/71/347479771.db2.gz AKTNDYFLGRIKSO-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO Cc1cc(=NC(=O)Cn2cc[nH+]c2)[nH]n1C(C)C ZINC000577226942 365890470 /nfs/dbraw/zinc/89/04/70/365890470.db2.gz XZCIXNAWAKYQLS-UHFFFAOYSA-N 1 2 247.302 1.030 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC1(CO)CC1 ZINC000565312289 347519953 /nfs/dbraw/zinc/51/99/53/347519953.db2.gz BJANNRQTZHGCOB-UHFFFAOYSA-N 1 2 221.304 1.302 20 0 BDADLO CC[C@H](C)N(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000616977438 347559166 /nfs/dbraw/zinc/55/91/66/347559166.db2.gz DTDICVRLPZRJID-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO CC[C@H](C)N(CC)C(=O)CCn1cc[nH+]c1 ZINC000616982415 347564468 /nfs/dbraw/zinc/56/44/68/347564468.db2.gz WKPUMKOFNZDPKL-NSHDSACASA-N 1 2 223.320 1.920 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000591151636 347621363 /nfs/dbraw/zinc/62/13/63/347621363.db2.gz OMHXFNBQGNISHQ-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO CCc1noc(C[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000591928462 347719763 /nfs/dbraw/zinc/71/97/63/347719763.db2.gz FEPLCJASCOHKDP-VIFPVBQESA-N 1 2 235.291 1.007 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(N)nc1 ZINC000592432754 347778445 /nfs/dbraw/zinc/77/84/45/347778445.db2.gz VACDSMDHYMVVRW-ZDUSSCGKSA-N 1 2 249.314 1.022 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(N)nc1 ZINC000592432754 347778446 /nfs/dbraw/zinc/77/84/46/347778446.db2.gz VACDSMDHYMVVRW-ZDUSSCGKSA-N 1 2 249.314 1.022 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N)nc1 ZINC000592432753 347778572 /nfs/dbraw/zinc/77/85/72/347778572.db2.gz VACDSMDHYMVVRW-CYBMUJFWSA-N 1 2 249.314 1.022 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N)nc1 ZINC000592432753 347778576 /nfs/dbraw/zinc/77/85/76/347778576.db2.gz VACDSMDHYMVVRW-CYBMUJFWSA-N 1 2 249.314 1.022 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC000592524807 347794935 /nfs/dbraw/zinc/79/49/35/347794935.db2.gz DMUXJQLAYJHJBY-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO FC1(F)CCC[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000390713244 259398536 /nfs/dbraw/zinc/39/85/36/259398536.db2.gz XJZFMZOPZXKQOM-QMMMGPOBSA-N 1 2 215.247 1.935 20 0 BDADLO CSCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000593734128 347937838 /nfs/dbraw/zinc/93/78/38/347937838.db2.gz UCUNPDUSCZMVLT-UHFFFAOYSA-N 1 2 213.306 1.124 20 0 BDADLO CC(C)C(=O)NCCN(C)c1cccc[nH+]1 ZINC000201635563 347913349 /nfs/dbraw/zinc/91/33/49/347913349.db2.gz IKEMGJJDPUXFDC-UHFFFAOYSA-N 1 2 221.304 1.290 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[S@@](=O)[C@@H](C)C1 ZINC000577412443 365949892 /nfs/dbraw/zinc/94/98/92/365949892.db2.gz QOHPIZVXZDGWCF-XXFAHNHDSA-N 1 2 239.344 1.051 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1nc(C)no1 ZINC000594052396 348009126 /nfs/dbraw/zinc/00/91/26/348009126.db2.gz GIDSKLXDRFEEKC-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1nc(C)no1 ZINC000594052396 348009127 /nfs/dbraw/zinc/00/91/27/348009127.db2.gz GIDSKLXDRFEEKC-UHFFFAOYSA-N 1 2 241.291 1.153 20 0 BDADLO CCN(CCSC)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594370748 348038816 /nfs/dbraw/zinc/03/88/16/348038816.db2.gz CRCVOWXZAZOUQT-UHFFFAOYSA-N 1 2 244.404 1.540 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000333533540 537996493 /nfs/dbraw/zinc/99/64/93/537996493.db2.gz YNQRHERQCIVWMK-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000333533540 537996498 /nfs/dbraw/zinc/99/64/98/537996498.db2.gz YNQRHERQCIVWMK-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO Cc1cccn2cc(CC(=O)N(C)C)[nH+]c12 ZINC000041291984 179355889 /nfs/dbraw/zinc/35/58/89/179355889.db2.gz RBQBXPLWHNBEAI-UHFFFAOYSA-N 1 2 217.272 1.273 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)C(=O)OC ZINC000594615883 348084246 /nfs/dbraw/zinc/08/42/46/348084246.db2.gz XBBYOANDCIDMFP-AEJSXWLSSA-N 1 2 247.360 1.048 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594949434 348147426 /nfs/dbraw/zinc/14/74/26/348147426.db2.gz DENGHZZYWJWKKL-AXFHLTTASA-N 1 2 243.347 1.874 20 0 BDADLO CO[C@@H](C[NH2+][C@H](C)c1ncn(C)n1)CC(C)C ZINC000419258383 192116094 /nfs/dbraw/zinc/11/60/94/192116094.db2.gz NBIUIYZOQYWHFQ-GHMZBOCLSA-N 1 2 240.351 1.527 20 0 BDADLO COC[C@@](C)([NH2+]CCC=C(C)C)C(=O)OC ZINC000595406176 348240277 /nfs/dbraw/zinc/24/02/77/348240277.db2.gz ISKPUVDVZSINDR-GFCCVEGCSA-N 1 2 229.320 1.510 20 0 BDADLO CC(C)n1nccc1CNc1c[nH]c[nH+]1 ZINC000308845475 323179700 /nfs/dbraw/zinc/17/97/00/323179700.db2.gz MCYMCGQDDMPAJH-UHFFFAOYSA-N 1 2 205.265 1.799 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](OC)C1CCC1)C(C)C ZINC000595432554 348249244 /nfs/dbraw/zinc/24/92/44/348249244.db2.gz SADGLHDUVXBJBN-NWDGAFQWSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1cccnc1C[NH2+]CN1CCC(=O)CC1 ZINC000275782851 179381539 /nfs/dbraw/zinc/38/15/39/179381539.db2.gz MVUJQYDHHKEISZ-UHFFFAOYSA-N 1 2 233.315 1.102 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](CC)OC)[C@H](C)CC ZINC000419251076 192114515 /nfs/dbraw/zinc/11/45/15/192114515.db2.gz QZRMFCFNBFIXIN-GRYCIOLGSA-N 1 2 245.363 1.979 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](CC)OC)[C@@H](C)CC ZINC000419251078 192114863 /nfs/dbraw/zinc/11/48/63/192114863.db2.gz QZRMFCFNBFIXIN-QJPTWQEYSA-N 1 2 245.363 1.979 20 0 BDADLO CSC[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000595512792 348267118 /nfs/dbraw/zinc/26/71/18/348267118.db2.gz YMAVBMSITZMCLB-QMMMGPOBSA-N 1 2 242.348 1.303 20 0 BDADLO CSC[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000595512792 348267119 /nfs/dbraw/zinc/26/71/19/348267119.db2.gz YMAVBMSITZMCLB-QMMMGPOBSA-N 1 2 242.348 1.303 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCCCC1 ZINC000595528068 348271871 /nfs/dbraw/zinc/27/18/71/348271871.db2.gz PTCFRRKYZCFBHZ-GFCCVEGCSA-N 1 2 229.320 1.080 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000595531735 348273675 /nfs/dbraw/zinc/27/36/75/348273675.db2.gz KBSQURUWQFQMSW-WZRBSPASSA-N 1 2 243.347 1.326 20 0 BDADLO CCC(CC)C[NH2+][C@](CC)(COC)C(=O)OC ZINC000595531863 348274011 /nfs/dbraw/zinc/27/40/11/348274011.db2.gz ZAHIHYRIVQFDCZ-CYBMUJFWSA-N 1 2 245.363 1.980 20 0 BDADLO COC(=O)c1occc1CN(C)Cc1c[nH+]c[nH]1 ZINC000595595071 348283095 /nfs/dbraw/zinc/28/30/95/348283095.db2.gz BVUFFCIHDBGRFY-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)c1occc1CN(C)Cc1c[nH]c[nH+]1 ZINC000595595071 348283097 /nfs/dbraw/zinc/28/30/97/348283097.db2.gz BVUFFCIHDBGRFY-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000595617926 348290083 /nfs/dbraw/zinc/29/00/83/348290083.db2.gz VOJJNWFCFRWMKP-SNVBAGLBSA-N 1 2 229.320 1.079 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@@H](CC)OC)no1 ZINC000419290647 192117905 /nfs/dbraw/zinc/11/79/05/192117905.db2.gz KLVRFYWMBMYYLJ-SECBINFHSA-N 1 2 241.335 1.882 20 0 BDADLO CC[C@H]([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000308978354 323183026 /nfs/dbraw/zinc/18/30/26/323183026.db2.gz RKHIFXGVUCECAB-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC(=O)OC(C)C)o1 ZINC000595704706 348308578 /nfs/dbraw/zinc/30/85/78/348308578.db2.gz ONSGZVAPJLVWHI-UHFFFAOYSA-N 1 2 241.291 1.152 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC(=O)OC(C)C)o1 ZINC000595704706 348308579 /nfs/dbraw/zinc/30/85/79/348308579.db2.gz ONSGZVAPJLVWHI-UHFFFAOYSA-N 1 2 241.291 1.152 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cc(C)ccn1 ZINC000595679650 348311224 /nfs/dbraw/zinc/31/12/24/348311224.db2.gz GFBPJPMUMPUMAT-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1cc(C)ccn1 ZINC000595679650 348311227 /nfs/dbraw/zinc/31/12/27/348311227.db2.gz GFBPJPMUMPUMAT-UHFFFAOYSA-N 1 2 246.310 1.527 20 0 BDADLO CNc1ccc(Nc2cccnn2)c[nH+]1 ZINC000308940849 323182069 /nfs/dbraw/zinc/18/20/69/323182069.db2.gz MBOIXNJUDWQMGL-UHFFFAOYSA-N 1 2 201.233 1.657 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595771774 348336434 /nfs/dbraw/zinc/33/64/34/348336434.db2.gz FKXIHIOBFMEPKE-KOLCDFICSA-N 1 2 235.299 1.028 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595776277 348338725 /nfs/dbraw/zinc/33/87/25/348338725.db2.gz AJHWGNGCOCGRIW-NXEZZACHSA-N 1 2 241.331 1.221 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595780765 348339446 /nfs/dbraw/zinc/33/94/46/348339446.db2.gz NJIPSRCXPWXDCA-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595780765 348339448 /nfs/dbraw/zinc/33/94/48/348339448.db2.gz NJIPSRCXPWXDCA-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO COc1ncc(C[NH2+]Cc2cocn2)s1 ZINC000397819187 362917415 /nfs/dbraw/zinc/91/74/15/362917415.db2.gz JHTFKHIWZSKLBU-UHFFFAOYSA-N 1 2 225.273 1.430 20 0 BDADLO COC[C@@H](C)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596056310 348434597 /nfs/dbraw/zinc/43/45/97/348434597.db2.gz RORGTWQENYDHSW-SECBINFHSA-N 1 2 238.287 1.244 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC[C@H]2C[C@H]2C)c1 ZINC000596078481 348439441 /nfs/dbraw/zinc/43/94/41/348439441.db2.gz QXBSGKCTABLORU-MWLCHTKSSA-N 1 2 234.299 1.865 20 0 BDADLO CC[C@H](C(=O)Nc1cc[nH+]cc1C)[C@H](C)O ZINC000419880066 192147898 /nfs/dbraw/zinc/14/78/98/192147898.db2.gz UDNNUDXDDALFMK-UWVGGRQHSA-N 1 2 222.288 1.157 20 0 BDADLO C[C@@H](CC(=O)N1CC2CC1(C)C2)n1cc[nH+]c1 ZINC000621218532 348562925 /nfs/dbraw/zinc/56/29/25/348562925.db2.gz GBPNNGNOTCDRPU-ZBOXLXRLSA-N 1 2 233.315 1.845 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NC2CC2)s1 ZINC000126093910 179652740 /nfs/dbraw/zinc/65/27/40/179652740.db2.gz VWORBKYYRSXDPJ-QMMMGPOBSA-N 1 2 239.344 1.381 20 0 BDADLO CSC[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863287 348835848 /nfs/dbraw/zinc/83/58/48/348835848.db2.gz MXHMPEFSNFDVST-QMMMGPOBSA-N 1 2 227.333 1.367 20 0 BDADLO CSC[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863287 348835850 /nfs/dbraw/zinc/83/58/50/348835850.db2.gz MXHMPEFSNFDVST-QMMMGPOBSA-N 1 2 227.333 1.367 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccoc1 ZINC000618475659 348924374 /nfs/dbraw/zinc/92/43/74/348924374.db2.gz JANXORZONMTHRA-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccoc1 ZINC000618475659 348924377 /nfs/dbraw/zinc/92/43/77/348924377.db2.gz JANXORZONMTHRA-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CCSC1(CNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000598331464 348926226 /nfs/dbraw/zinc/92/62/26/348926226.db2.gz JMWBXDPDVSBINI-UHFFFAOYSA-N 1 2 239.344 1.734 20 0 BDADLO CSC[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460757 348977513 /nfs/dbraw/zinc/97/75/13/348977513.db2.gz XFGLYVDIRGAVER-RKDXNWHRSA-N 1 2 241.360 1.596 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000042978421 348989448 /nfs/dbraw/zinc/98/94/48/348989448.db2.gz GKHXUULGIIKMKT-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000042978421 348989450 /nfs/dbraw/zinc/98/94/50/348989450.db2.gz GKHXUULGIIKMKT-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(C)c1 ZINC000598585120 348995271 /nfs/dbraw/zinc/99/52/71/348995271.db2.gz RXAIBHUEHYJFGO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccnc(C)c1 ZINC000598585120 348995273 /nfs/dbraw/zinc/99/52/73/348995273.db2.gz RXAIBHUEHYJFGO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCCc1[nH]ccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000421766455 192380887 /nfs/dbraw/zinc/38/08/87/192380887.db2.gz FKPWNCLSQYKVBK-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO Cc1csc(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000599297697 349151190 /nfs/dbraw/zinc/15/11/90/349151190.db2.gz XLRXDECGJUVUKF-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1csc(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000599297697 349151193 /nfs/dbraw/zinc/15/11/93/349151193.db2.gz XLRXDECGJUVUKF-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO CC[C@H](C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000421809657 192387794 /nfs/dbraw/zinc/38/77/94/192387794.db2.gz BVZQCIPALOFMDP-NSHDSACASA-N 1 2 238.335 1.619 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000599255059 349131652 /nfs/dbraw/zinc/13/16/52/349131652.db2.gz FWKMMBRFBGMFNI-SECBINFHSA-N 1 2 237.303 1.183 20 0 BDADLO CCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000080564209 535094032 /nfs/dbraw/zinc/09/40/32/535094032.db2.gz JOHJJWAXRYXGIS-UHFFFAOYSA-N 1 2 238.335 1.748 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626192 349231352 /nfs/dbraw/zinc/23/13/52/349231352.db2.gz PEOKZIOFOAQUBG-NMUGVGKYSA-N 1 2 229.320 1.340 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@H]1CCCO1 ZINC000599650812 349234400 /nfs/dbraw/zinc/23/44/00/349234400.db2.gz YCCCYYVSOWEWSV-SNVBAGLBSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000288484753 179856535 /nfs/dbraw/zinc/85/65/35/179856535.db2.gz QCNCBCLDGVDWRR-UHFFFAOYSA-N 1 2 246.314 1.875 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000600108441 349288813 /nfs/dbraw/zinc/28/88/13/349288813.db2.gz XNAQFFVBFAABRD-JTQLQIEISA-N 1 2 237.303 1.021 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000600108441 349288815 /nfs/dbraw/zinc/28/88/15/349288815.db2.gz XNAQFFVBFAABRD-JTQLQIEISA-N 1 2 237.303 1.021 20 0 BDADLO COC(=O)[C@H]1CCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000600108441 349288816 /nfs/dbraw/zinc/28/88/16/349288816.db2.gz XNAQFFVBFAABRD-JTQLQIEISA-N 1 2 237.303 1.021 20 0 BDADLO Cc1nc(N[C@H]2COC(C)(C)C2)cc[nH+]1 ZINC000396520481 538037886 /nfs/dbraw/zinc/03/78/86/538037886.db2.gz ACGNOAHESVAHHR-SECBINFHSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1cc(NCCCN2CCCCC2=O)nc[nH+]1 ZINC000599914073 349269968 /nfs/dbraw/zinc/26/99/68/349269968.db2.gz UPZQFZOJAYODNF-UHFFFAOYSA-N 1 2 248.330 1.021 20 0 BDADLO Cc1nc(N(C)CC(C)(C)O)c(C)c(C)[nH+]1 ZINC000301674816 179905985 /nfs/dbraw/zinc/90/59/85/179905985.db2.gz GZIZOACTBYPGJW-UHFFFAOYSA-N 1 2 223.320 1.609 20 0 BDADLO COC(=O)c1occc1C[NH2+]Cc1ccco1 ZINC000035223195 358455663 /nfs/dbraw/zinc/45/56/63/358455663.db2.gz JUZSXSGKYYZSEY-UHFFFAOYSA-N 1 2 235.239 1.949 20 0 BDADLO O=C(C[C@H]1CCCO1)Nc1ccc2[nH+]ccn2c1 ZINC000603809266 350036346 /nfs/dbraw/zinc/03/63/46/350036346.db2.gz XGQWQRNOPISPGJ-LLVKDONJSA-N 1 2 245.282 1.842 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cocn1 ZINC000603881385 350048030 /nfs/dbraw/zinc/04/80/30/350048030.db2.gz AIRXIUVCEGOBOX-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(F)C2)[nH+]1 ZINC000334679548 180001581 /nfs/dbraw/zinc/00/15/81/180001581.db2.gz YEXCELAQYHTYIX-UHFFFAOYSA-N 1 2 206.224 1.424 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC[C@@H](C)O)[nH+]1 ZINC000309837088 180019055 /nfs/dbraw/zinc/01/90/55/180019055.db2.gz BLNRHICEXRILCP-SSDOTTSWSA-N 1 2 220.276 1.449 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)no1 ZINC000361589926 180036222 /nfs/dbraw/zinc/03/62/22/180036222.db2.gz IHGAHOCBBFDDOB-KOLCDFICSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](n3cccn3)C2)no1 ZINC000361589926 180036223 /nfs/dbraw/zinc/03/62/23/180036223.db2.gz IHGAHOCBBFDDOB-KOLCDFICSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)no1 ZINC000308916048 180051790 /nfs/dbraw/zinc/05/17/90/180051790.db2.gz BFJJXQNZUZKMRS-BKPPORCPSA-N 1 2 227.333 1.780 20 0 BDADLO Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329739277 180057823 /nfs/dbraw/zinc/05/78/23/180057823.db2.gz UTLYQIREPITEDI-NXEZZACHSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329739277 180057825 /nfs/dbraw/zinc/05/78/25/180057825.db2.gz UTLYQIREPITEDI-NXEZZACHSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2cn[nH]c2)[nH+]1 ZINC000339699953 180058712 /nfs/dbraw/zinc/05/87/12/180058712.db2.gz GCUHILHQSIGXAW-SSDOTTSWSA-N 1 2 242.286 1.584 20 0 BDADLO CC[N@H+](CCOC)Cc1cc(COC)on1 ZINC000297561300 490317429 /nfs/dbraw/zinc/31/74/29/490317429.db2.gz CGIUHZIBWJTCRO-UHFFFAOYSA-N 1 2 228.292 1.289 20 0 BDADLO CC[N@@H+](CCOC)Cc1cc(COC)on1 ZINC000297561300 490317436 /nfs/dbraw/zinc/31/74/36/490317436.db2.gz CGIUHZIBWJTCRO-UHFFFAOYSA-N 1 2 228.292 1.289 20 0 BDADLO CSCCNC(=O)CCCn1cc[nH+]c1 ZINC000604527960 350147493 /nfs/dbraw/zinc/14/74/93/350147493.db2.gz GOFTYMIFIGLVJP-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCCO3)cc2[nH+]1 ZINC000065006374 180093685 /nfs/dbraw/zinc/09/36/85/180093685.db2.gz OODNYHWIKHBHPE-GFCCVEGCSA-N 1 2 245.282 1.989 20 0 BDADLO Cc1[nH]c2cc(NC(=O)[C@H]3CCCO3)ccc2[nH+]1 ZINC000065006374 180093688 /nfs/dbraw/zinc/09/36/88/180093688.db2.gz OODNYHWIKHBHPE-GFCCVEGCSA-N 1 2 245.282 1.989 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C[C@@H]1CC[C@H](C)O1)C2 ZINC000364331598 180109719 /nfs/dbraw/zinc/10/97/19/180109719.db2.gz KZCSDIFJDBOHQJ-GWCFXTLKSA-N 1 2 249.358 1.883 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+]([C@@H](C)c1cccnc1)C2 ZINC000267378700 180112424 /nfs/dbraw/zinc/11/24/24/180112424.db2.gz MCUGXANUWJIWGJ-JTQLQIEISA-N 1 2 243.314 1.558 20 0 BDADLO Cc1nc2n(n1)CC[N@H+]([C@@H](C)c1cccnc1)C2 ZINC000267378700 180112426 /nfs/dbraw/zinc/11/24/26/180112426.db2.gz MCUGXANUWJIWGJ-JTQLQIEISA-N 1 2 243.314 1.558 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H]2C2CCC2)c[nH+]1 ZINC000333319603 180130519 /nfs/dbraw/zinc/13/05/19/180130519.db2.gz UGWRQFVLIQAKTN-QWRGUYRKSA-N 1 2 233.315 1.884 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)C(F)(F)F ZINC000359519194 180118377 /nfs/dbraw/zinc/11/83/77/180118377.db2.gz UWSRZVBFULARTO-RXMQYKEDSA-N 1 2 235.209 1.533 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)C(F)(F)F ZINC000359519195 180118489 /nfs/dbraw/zinc/11/84/89/180118489.db2.gz UWSRZVBFULARTO-YFKPBYRVSA-N 1 2 235.209 1.533 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1C(F)F ZINC000338224173 180118678 /nfs/dbraw/zinc/11/86/78/180118678.db2.gz DBBGGHNYHUEYOE-NKWVEPMBSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1F ZINC000335845697 180118711 /nfs/dbraw/zinc/11/87/11/180118711.db2.gz KOAUYDWSFHQHFY-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC1CCCC1 ZINC000331032022 180119042 /nfs/dbraw/zinc/11/90/42/180119042.db2.gz UMOSTRLOLXFZLG-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccn1 ZINC000336565468 180119366 /nfs/dbraw/zinc/11/93/66/180119366.db2.gz HWALRGQKATWJSL-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC1(C)C ZINC000333942697 180119541 /nfs/dbraw/zinc/11/95/41/180119541.db2.gz QFHCCOLXIWGTPM-VIFPVBQESA-N 1 2 207.277 1.175 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC1(C)C ZINC000333942697 180119544 /nfs/dbraw/zinc/11/95/44/180119544.db2.gz QFHCCOLXIWGTPM-VIFPVBQESA-N 1 2 207.277 1.175 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000333505632 180119629 /nfs/dbraw/zinc/11/96/29/180119629.db2.gz DFLNPWSVNWANOT-GARJFASQSA-N 1 2 233.315 1.771 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)C(C)(F)F ZINC000341751103 180120440 /nfs/dbraw/zinc/12/04/40/180120440.db2.gz OTRMNPJMAUBJJV-ZCFIWIBFSA-N 1 2 231.246 1.626 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cscn2)c(=O)[nH]1 ZINC000336749843 180153846 /nfs/dbraw/zinc/15/38/46/180153846.db2.gz ZEYFIZVVSJYCBO-UHFFFAOYSA-N 1 2 236.300 1.237 20 0 BDADLO Cc1ncc(NC(=O)CCc2c[nH+]cn2C)cn1 ZINC000280492447 180165063 /nfs/dbraw/zinc/16/50/63/180165063.db2.gz KFWXWHZSNVHMFY-UHFFFAOYSA-N 1 2 245.286 1.090 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@](F)(CO)C2)s1 ZINC000336312738 180146719 /nfs/dbraw/zinc/14/67/19/180146719.db2.gz GUNALINEWHMOIJ-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@](F)(CO)C2)s1 ZINC000336312738 180146720 /nfs/dbraw/zinc/14/67/20/180146720.db2.gz GUNALINEWHMOIJ-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO Cc1cc(NCc2cocn2)nc(C2CC2)[nH+]1 ZINC000604756508 350187195 /nfs/dbraw/zinc/18/71/95/350187195.db2.gz JFFKTLCKPQZKAF-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1nc(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc[nH+]1 ZINC000293974342 180194769 /nfs/dbraw/zinc/19/47/69/180194769.db2.gz HYUJRWMFFTXKNV-KBPBESRZSA-N 1 2 245.326 1.933 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)cc[nH+]1 ZINC000374510595 180203851 /nfs/dbraw/zinc/20/38/51/180203851.db2.gz VOHJWHBNEQXVRR-YPMHNXCESA-N 1 2 249.314 1.535 20 0 BDADLO Cc1nc(N[C@H](CO)CC(C)C)cc[nH+]1 ZINC000054936117 180204829 /nfs/dbraw/zinc/20/48/29/180204829.db2.gz DEYMDDBMLKFHPW-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO Cc1nc(N[C@H](c2nncn2C)C(C)C)cc[nH+]1 ZINC000286693427 180204878 /nfs/dbraw/zinc/20/48/78/180204878.db2.gz XTEVLCQAEMHDJL-NSHDSACASA-N 1 2 246.318 1.723 20 0 BDADLO Cc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)cc[nH+]1 ZINC000080572350 180206491 /nfs/dbraw/zinc/20/64/91/180206491.db2.gz XXISSSYNCOSLQS-GXTWGEPZSA-N 1 2 241.294 1.855 20 0 BDADLO Cc1nc(N[C@H]2c3ccccc3C[C@H]2O)cc[nH+]1 ZINC000080572362 180207643 /nfs/dbraw/zinc/20/76/43/180207643.db2.gz XXISSSYNCOSLQS-OCCSQVGLSA-N 1 2 241.294 1.855 20 0 BDADLO Cc1nc(NCCCOC(F)F)cc[nH+]1 ZINC000336736672 180180285 /nfs/dbraw/zinc/18/02/85/180180285.db2.gz POHHZSQDCOIXGI-UHFFFAOYSA-N 1 2 217.219 1.248 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2ccnn2C)n1 ZINC000353254873 180184032 /nfs/dbraw/zinc/18/40/32/180184032.db2.gz DWMRVWFNCWTORL-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2ccnn2C)n1 ZINC000353254873 180184034 /nfs/dbraw/zinc/18/40/34/180184034.db2.gz DWMRVWFNCWTORL-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CC[C@H](C)O1 ZINC000355295911 350234786 /nfs/dbraw/zinc/23/47/86/350234786.db2.gz SLDISSFIBHRKGW-JQWIXIFHSA-N 1 2 238.335 1.205 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H]1CC[C@H](C)O1 ZINC000355295911 350234791 /nfs/dbraw/zinc/23/47/91/350234791.db2.gz SLDISSFIBHRKGW-JQWIXIFHSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H](CSC)NC(=O)Cc1c[nH+]cn1C ZINC000563903401 323311058 /nfs/dbraw/zinc/31/10/58/323311058.db2.gz BVASQZCOMNFXMK-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000617955277 350265876 /nfs/dbraw/zinc/26/58/76/350265876.db2.gz PBUVRWLCWGBYET-MGCOHNPYSA-N 1 2 237.303 1.026 20 0 BDADLO CCc1cc(N[C@H]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000606155626 350280355 /nfs/dbraw/zinc/28/03/55/350280355.db2.gz KVQHPSZVCSGAOW-ONGXEEELSA-N 1 2 248.330 1.495 20 0 BDADLO c1nc2cnccn2c1CNc1c[nH]c[nH+]1 ZINC000309323400 350319246 /nfs/dbraw/zinc/31/92/46/350319246.db2.gz FTOKFBGEHFHMAZ-UHFFFAOYSA-N 1 2 214.232 1.065 20 0 BDADLO CCc1noc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000606451939 350339987 /nfs/dbraw/zinc/33/99/87/350339987.db2.gz UPSCZHWTXFTMRZ-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1noc(C[N@H+]2CCSC[C@H]2C)n1 ZINC000606451939 350339990 /nfs/dbraw/zinc/33/99/90/350339990.db2.gz UPSCZHWTXFTMRZ-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1(O)CCCC1 ZINC000606533224 350356024 /nfs/dbraw/zinc/35/60/24/350356024.db2.gz NBWDHMLLLOJVKZ-UHFFFAOYSA-N 1 2 245.282 1.578 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)NC1CC1 ZINC000606580479 350371070 /nfs/dbraw/zinc/37/10/70/350371070.db2.gz QMZGUWCBJYJVCS-UHFFFAOYSA-N 1 2 216.244 1.618 20 0 BDADLO COC[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581021 350373962 /nfs/dbraw/zinc/37/39/62/350373962.db2.gz NQAJUFXKPBLZCR-SECBINFHSA-N 1 2 248.286 1.491 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000617217207 350387917 /nfs/dbraw/zinc/38/79/17/350387917.db2.gz ZQBMPBYOIWYVLP-OXIWPEFWSA-N 1 2 245.326 1.582 20 0 BDADLO CCc1cc(NC[C@H]2CCCOC2)nc[nH+]1 ZINC000040765204 350395470 /nfs/dbraw/zinc/39/54/70/350395470.db2.gz DDRIRXZVYGGYEK-SNVBAGLBSA-N 1 2 221.304 1.878 20 0 BDADLO Cc1ncsc1CNc1cccc(CO)[nH+]1 ZINC000309694148 180324376 /nfs/dbraw/zinc/32/43/76/180324376.db2.gz KNLTUUKMBYHPON-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO Cc1nn(C)c(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000284071415 180356603 /nfs/dbraw/zinc/35/66/03/180356603.db2.gz RNDSDGCQCCJRTL-SNAWJCMRSA-N 1 2 245.286 1.412 20 0 BDADLO CC(C)c1nc(N[C@H]2CCC(=O)N(C)C2)cc[nH+]1 ZINC000150878731 350460562 /nfs/dbraw/zinc/46/05/62/350460562.db2.gz RSEIZVBCONCWJO-JTQLQIEISA-N 1 2 248.330 1.633 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427999501 191105941 /nfs/dbraw/zinc/10/59/41/191105941.db2.gz ZQCZHPVOOPUYIG-COPLHBTASA-N 1 2 247.342 1.750 20 0 BDADLO COc1ccc[nH+]c1NCCC[C@H](C)CO ZINC000228304597 350536377 /nfs/dbraw/zinc/53/63/77/350536377.db2.gz SSQZNSANZWFNTD-JTQLQIEISA-N 1 2 224.304 1.911 20 0 BDADLO Cc1nnc(C[NH+]2C[C@H](C)S[C@@H](C)C2)n1C ZINC000336449428 180410865 /nfs/dbraw/zinc/41/08/65/180410865.db2.gz BYRZORFWPAMVHU-IUCAKERBSA-N 1 2 240.376 1.449 20 0 BDADLO CCc1cccc(C[NH2+]Cc2ncn(C)n2)c1 ZINC000577520540 365977132 /nfs/dbraw/zinc/97/71/32/365977132.db2.gz XROJPIRKDFKCDQ-UHFFFAOYSA-N 1 2 230.315 1.667 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000577526693 365979230 /nfs/dbraw/zinc/97/92/30/365979230.db2.gz JLVLUJFCJQJRHK-WCBMZHEXSA-N 1 2 227.308 1.532 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000577526693 365979238 /nfs/dbraw/zinc/97/92/38/365979238.db2.gz JLVLUJFCJQJRHK-WCBMZHEXSA-N 1 2 227.308 1.532 20 0 BDADLO CC1(CO)C[NH+](Cc2cnc(C3CC3)o2)C1 ZINC000628307579 350606504 /nfs/dbraw/zinc/60/65/04/350606504.db2.gz RLDMDADHBIAOJA-UHFFFAOYSA-N 1 2 222.288 1.366 20 0 BDADLO C/C=C\CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000637484286 350643882 /nfs/dbraw/zinc/64/38/82/350643882.db2.gz DUGNLEPPUNQFEQ-IHWYPQMZSA-N 1 2 248.330 1.875 20 0 BDADLO C/C=C\CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000637484286 350643885 /nfs/dbraw/zinc/64/38/85/350643885.db2.gz DUGNLEPPUNQFEQ-IHWYPQMZSA-N 1 2 248.330 1.875 20 0 BDADLO C/C=C\CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000637489349 350651636 /nfs/dbraw/zinc/65/16/36/350651636.db2.gz WOSGPRCTDSLZOD-ZZKXABKFSA-N 1 2 248.330 1.806 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936936 350629530 /nfs/dbraw/zinc/62/95/30/350629530.db2.gz SHWTVSZEZQYDFA-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936936 350629533 /nfs/dbraw/zinc/62/95/33/350629533.db2.gz SHWTVSZEZQYDFA-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000233890781 350686689 /nfs/dbraw/zinc/68/66/89/350686689.db2.gz XKLLVGRQVZRXHQ-LLVKDONJSA-N 1 2 231.303 1.451 20 0 BDADLO CC1(C)C[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000124408112 350694639 /nfs/dbraw/zinc/69/46/39/350694639.db2.gz YTNQFMSVKDCORG-MRVPVSSYSA-N 1 2 205.261 1.648 20 0 BDADLO Cc1ccc(NC(=O)NCC2(CO)CC2)c(C)[nH+]1 ZINC000152309090 538098963 /nfs/dbraw/zinc/09/89/63/538098963.db2.gz PKTBUZBUKICHKP-UHFFFAOYSA-N 1 2 249.314 1.592 20 0 BDADLO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000237882242 350756284 /nfs/dbraw/zinc/75/62/84/350756284.db2.gz XFJKNZODWMZZOW-SFYZADRCSA-N 1 2 245.286 1.024 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOC(C)C)n1 ZINC000336675888 180499345 /nfs/dbraw/zinc/49/93/45/180499345.db2.gz ALSQHVKMXDDTTC-QMMMGPOBSA-N 1 2 213.281 1.454 20 0 BDADLO CC[N@H+](Cc1ncnn1CC(C)C)[C@H](C)CO ZINC000339627412 350769754 /nfs/dbraw/zinc/76/97/54/350769754.db2.gz BPJBSSVMJMAUIW-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CC[N@@H+](Cc1ncnn1CC(C)C)[C@H](C)CO ZINC000339627412 350769758 /nfs/dbraw/zinc/76/97/58/350769758.db2.gz BPJBSSVMJMAUIW-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)o1)[C@@H](C)CO ZINC000339631863 350770643 /nfs/dbraw/zinc/77/06/43/350770643.db2.gz ZAFWGHMDWKJZEL-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)o1)[C@@H](C)CO ZINC000339631863 350770644 /nfs/dbraw/zinc/77/06/44/350770644.db2.gz ZAFWGHMDWKJZEL-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C)Cn1cc[nH+]c1 ZINC000607040146 350796491 /nfs/dbraw/zinc/79/64/91/350796491.db2.gz QYRFYVORAHAEHS-MXWKQRLJSA-N 1 2 221.304 1.291 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccnc1 ZINC000563369776 350826265 /nfs/dbraw/zinc/82/62/65/350826265.db2.gz PHMIKXAGEYBSOK-VIFPVBQESA-N 1 2 230.271 1.622 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccnc1 ZINC000563369776 350826267 /nfs/dbraw/zinc/82/62/67/350826267.db2.gz PHMIKXAGEYBSOK-VIFPVBQESA-N 1 2 230.271 1.622 20 0 BDADLO Cc1ccc(C[N@H+](CC(=O)NC2CC2)C2CC2)o1 ZINC000051965942 350828522 /nfs/dbraw/zinc/82/85/22/350828522.db2.gz NITJOYHPIHUAFF-UHFFFAOYSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc(C[N@@H+](CC(=O)NC2CC2)C2CC2)o1 ZINC000051965942 350828524 /nfs/dbraw/zinc/82/85/24/350828524.db2.gz NITJOYHPIHUAFF-UHFFFAOYSA-N 1 2 248.326 1.831 20 0 BDADLO CN(c1cc(CO)cc[nH+]1)[C@@H]1CCCC[C@H]1O ZINC000252936786 350917485 /nfs/dbraw/zinc/91/74/85/350917485.db2.gz XXFCPFZLECTQOH-VXGBXAGGSA-N 1 2 236.315 1.314 20 0 BDADLO CC[C@@H](COC)NC(=O)CCCn1cc[nH+]c1 ZINC000151006988 350935981 /nfs/dbraw/zinc/93/59/81/350935981.db2.gz SGMNDWLNUYADAD-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000052102444 350937313 /nfs/dbraw/zinc/93/73/13/350937313.db2.gz JKKZCEDKRXVOQJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000052102444 350937317 /nfs/dbraw/zinc/93/73/17/350937317.db2.gz JKKZCEDKRXVOQJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2CC2)on1 ZINC000052008518 350885772 /nfs/dbraw/zinc/88/57/72/350885772.db2.gz WVFUUVJAIIPAOG-LLVKDONJSA-N 1 2 249.314 1.399 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2CC2)on1 ZINC000052008518 350885773 /nfs/dbraw/zinc/88/57/73/350885773.db2.gz WVFUUVJAIIPAOG-LLVKDONJSA-N 1 2 249.314 1.399 20 0 BDADLO CCc1cnc(C[NH2+]CC(=O)N(C)CC)s1 ZINC000336677256 350885889 /nfs/dbraw/zinc/88/58/89/350885889.db2.gz BMIFCLJNKMQWMR-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO C[C@@H]([NH2+]Cc1nccs1)[C@H](O)C(F)(F)F ZINC000631236579 350890848 /nfs/dbraw/zinc/89/08/48/350890848.db2.gz ONXPOMGSTJPNPA-VDTYLAMSSA-N 1 2 240.250 1.544 20 0 BDADLO Cc1nc2ccccn2c1C[NH2+]Cc1cnn[nH]1 ZINC000398323875 351034427 /nfs/dbraw/zinc/03/44/27/351034427.db2.gz DLTICTQIDWJONC-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO C[C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398323115 351034783 /nfs/dbraw/zinc/03/47/83/351034783.db2.gz NKLKDUGDJDSIQN-VHSXEESVSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@H]1CCC[C@@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398323115 351034785 /nfs/dbraw/zinc/03/47/85/351034785.db2.gz NKLKDUGDJDSIQN-VHSXEESVSA-N 1 2 208.309 1.721 20 0 BDADLO CN(C)c1ccccc1C[NH2+]Cc1cnn[nH]1 ZINC000623577836 363010014 /nfs/dbraw/zinc/01/00/14/363010014.db2.gz HWINYUBLDPQSGD-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO Cc1ncc(C[NH2+]Cc2c(C)noc2C)o1 ZINC000398115563 363012690 /nfs/dbraw/zinc/01/26/90/363012690.db2.gz UPAUHXSHHOTQBN-UHFFFAOYSA-N 1 2 221.260 1.878 20 0 BDADLO CCc1ccsc1C(=O)NCc1[nH+]ccn1C ZINC000264359076 351234619 /nfs/dbraw/zinc/23/46/19/351234619.db2.gz YEQMGOVIRQDBQS-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO CCn1nncc1C[NH2+]Cc1nccn1C(C)C ZINC000623584070 363017453 /nfs/dbraw/zinc/01/74/53/363017453.db2.gz FGUBCAOPHDJWKO-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO Cc1[nH]c(CN(C)CC2=CCCOC2)[nH+]c1C ZINC000628339025 351283133 /nfs/dbraw/zinc/28/31/33/351283133.db2.gz COOLEPOCMHKRFE-UHFFFAOYSA-N 1 2 235.331 1.805 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2=CCCOC2)[nH]c1C ZINC000628339025 351283136 /nfs/dbraw/zinc/28/31/36/351283136.db2.gz COOLEPOCMHKRFE-UHFFFAOYSA-N 1 2 235.331 1.805 20 0 BDADLO Cc1nc(C[N@H+](C)CC2=CCCOC2)[nH]c1C ZINC000628339025 351283140 /nfs/dbraw/zinc/28/31/40/351283140.db2.gz COOLEPOCMHKRFE-UHFFFAOYSA-N 1 2 235.331 1.805 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@@H]2C)nc(N)[nH+]1 ZINC000379923490 351289031 /nfs/dbraw/zinc/28/90/31/351289031.db2.gz SOROSKXVVKYMCY-XPUUQOCRSA-N 1 2 207.281 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000379923490 351289035 /nfs/dbraw/zinc/28/90/35/351289035.db2.gz SOROSKXVVKYMCY-XPUUQOCRSA-N 1 2 207.281 1.193 20 0 BDADLO CCCCc1cc(N[C@@H](C)CC(N)=O)nc[nH+]1 ZINC000631125687 351296974 /nfs/dbraw/zinc/29/69/74/351296974.db2.gz FIPWPLIKQSDDHB-VIFPVBQESA-N 1 2 236.319 1.495 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379994770 351307340 /nfs/dbraw/zinc/30/73/40/351307340.db2.gz VKVIIPONAMLCFI-KHQFGBGNSA-N 1 2 235.335 1.829 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)[nH+]1 ZINC000379994770 351307344 /nfs/dbraw/zinc/30/73/44/351307344.db2.gz VKVIIPONAMLCFI-KHQFGBGNSA-N 1 2 235.335 1.829 20 0 BDADLO C[C@@]1(C[N@@H+]2CCc3n[nH]nc3C2)CCCS1 ZINC000628352654 351316491 /nfs/dbraw/zinc/31/64/91/351316491.db2.gz PSHWNYANAYWKQN-NSHDSACASA-N 1 2 238.360 1.449 20 0 BDADLO C[C@@]1(C[N@H+]2CCc3n[nH]nc3C2)CCCS1 ZINC000628352654 351316492 /nfs/dbraw/zinc/31/64/92/351316492.db2.gz PSHWNYANAYWKQN-NSHDSACASA-N 1 2 238.360 1.449 20 0 BDADLO Cc1nc(C[N@@H+]2CCCc3n[nH]cc3C2)[nH]c1C ZINC000628353088 351317481 /nfs/dbraw/zinc/31/74/81/351317481.db2.gz GRZBHMFCYFFGJB-UHFFFAOYSA-N 1 2 245.330 1.698 20 0 BDADLO Cc1nc(C[N@H+]2CCCc3n[nH]cc3C2)[nH]c1C ZINC000628353088 351317485 /nfs/dbraw/zinc/31/74/85/351317485.db2.gz GRZBHMFCYFFGJB-UHFFFAOYSA-N 1 2 245.330 1.698 20 0 BDADLO Cc1[nH]c(CN2CCCc3n[nH]cc3C2)[nH+]c1C ZINC000628353088 351317488 /nfs/dbraw/zinc/31/74/88/351317488.db2.gz GRZBHMFCYFFGJB-UHFFFAOYSA-N 1 2 245.330 1.698 20 0 BDADLO Cc1[nH]c(CN(C[C@@H](C)O)C2CC2)[nH+]c1C ZINC000628328549 351267155 /nfs/dbraw/zinc/26/71/55/351267155.db2.gz PVGSQKFNBFPGID-MRVPVSSYSA-N 1 2 223.320 1.372 20 0 BDADLO CCCc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000172662089 351411543 /nfs/dbraw/zinc/41/15/43/351411543.db2.gz PZHXUSBIBQZOBC-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO CCCc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000172662089 351411548 /nfs/dbraw/zinc/41/15/48/351411548.db2.gz PZHXUSBIBQZOBC-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO Cn1ccnc1C([NH2+]CC1CC1)c1nccn1C ZINC000623617240 363061454 /nfs/dbraw/zinc/06/14/54/363061454.db2.gz CRHVQAMLZICMNR-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO CC1(C)CN(Cc2[nH]cc[nH+]2)CC(C)(C)O1 ZINC000276223042 351612846 /nfs/dbraw/zinc/61/28/46/351612846.db2.gz QYGMIYDNSANWDB-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC1(C)C[NH+](Cc2ncc[nH]2)CC(C)(C)O1 ZINC000276223042 351612847 /nfs/dbraw/zinc/61/28/47/351612847.db2.gz QYGMIYDNSANWDB-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC[N@@H+](Cc1ccno1)C[C@@H](O)C(F)(F)F ZINC000275076273 351592551 /nfs/dbraw/zinc/59/25/51/351592551.db2.gz ZTBHNQPMIDNNRA-MRVPVSSYSA-N 1 2 238.209 1.420 20 0 BDADLO CC[N@H+](Cc1ccno1)C[C@@H](O)C(F)(F)F ZINC000275076273 351592555 /nfs/dbraw/zinc/59/25/55/351592555.db2.gz ZTBHNQPMIDNNRA-MRVPVSSYSA-N 1 2 238.209 1.420 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccns1 ZINC000637811076 351652268 /nfs/dbraw/zinc/65/22/68/351652268.db2.gz ISCHBHVWWWITSW-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccns1 ZINC000637811076 351652270 /nfs/dbraw/zinc/65/22/70/351652270.db2.gz ISCHBHVWWWITSW-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCCn1ccc(C[N@H+](C)Cc2nncn2C)c1 ZINC000577783063 366060522 /nfs/dbraw/zinc/06/05/22/366060522.db2.gz UJKYGDLPUADJKZ-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCCn1ccc(C[N@@H+](C)Cc2nncn2C)c1 ZINC000577783063 366060525 /nfs/dbraw/zinc/06/05/25/366060525.db2.gz UJKYGDLPUADJKZ-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO C[C@H]1C[N@H+](Cc2c3c(nn2C)CCCC3)CCO1 ZINC000637883549 351748007 /nfs/dbraw/zinc/74/80/07/351748007.db2.gz OZPRYSMNBZVTOY-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c3c(nn2C)CCCC3)CCO1 ZINC000637883549 351748008 /nfs/dbraw/zinc/74/80/08/351748008.db2.gz OZPRYSMNBZVTOY-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccns1 ZINC000637907755 351780965 /nfs/dbraw/zinc/78/09/65/351780965.db2.gz QYCCSWGDEDWRBM-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccns1 ZINC000637907755 351780967 /nfs/dbraw/zinc/78/09/67/351780967.db2.gz QYCCSWGDEDWRBM-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO CC1(C)CN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000279632699 351819872 /nfs/dbraw/zinc/81/98/72/351819872.db2.gz ZIWYYADYXOSFJU-CYBMUJFWSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)c1ccco1 ZINC000607642625 351810412 /nfs/dbraw/zinc/81/04/12/351810412.db2.gz HDMIILKAJQGMQD-SNVBAGLBSA-N 1 2 247.298 1.775 20 0 BDADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000618867531 351852276 /nfs/dbraw/zinc/85/22/76/351852276.db2.gz YCLYFLPCSAEBMC-VIFPVBQESA-N 1 2 207.277 1.637 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1cc(C)ns1 ZINC000637965536 351839880 /nfs/dbraw/zinc/83/98/80/351839880.db2.gz UEEVEQYAHGJBQU-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1cc(C)ns1 ZINC000637965536 351839883 /nfs/dbraw/zinc/83/98/83/351839883.db2.gz UEEVEQYAHGJBQU-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(F)c1N ZINC000638064056 351937032 /nfs/dbraw/zinc/93/70/32/351937032.db2.gz HSGZSNVXPDEYND-UHFFFAOYSA-N 1 2 234.278 1.763 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(F)c1N ZINC000638064056 351937035 /nfs/dbraw/zinc/93/70/35/351937035.db2.gz HSGZSNVXPDEYND-UHFFFAOYSA-N 1 2 234.278 1.763 20 0 BDADLO CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@H]1O ZINC000282969850 351952630 /nfs/dbraw/zinc/95/26/30/351952630.db2.gz DZOQXEFTOHLPLM-PGLGOXFNSA-N 1 2 249.314 1.042 20 0 BDADLO CCCCOCC[NH2+]C(C)(C)C(=O)OC ZINC000336737948 351977523 /nfs/dbraw/zinc/97/75/23/351977523.db2.gz QWJDHSDDDYRNIQ-UHFFFAOYSA-N 1 2 217.309 1.344 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1cc(C2CC2)no1 ZINC000638280069 352114698 /nfs/dbraw/zinc/11/46/98/352114698.db2.gz WGAPGCWEDLZQBJ-UHFFFAOYSA-N 1 2 237.303 1.166 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)o1 ZINC000630072993 363155718 /nfs/dbraw/zinc/15/57/18/363155718.db2.gz ORIDFAPDEDBERO-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C(F)F)CC2)o1 ZINC000630072993 363155723 /nfs/dbraw/zinc/15/57/23/363155723.db2.gz ORIDFAPDEDBERO-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO CC(C)Cc1nnc(NCc2c[nH+]cn2C)o1 ZINC000181772300 187653920 /nfs/dbraw/zinc/65/39/20/187653920.db2.gz KYDZUEJRNZBHTA-UHFFFAOYSA-N 1 2 235.291 1.614 20 0 BDADLO Cn1ccc(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000096630398 180703835 /nfs/dbraw/zinc/70/38/35/180703835.db2.gz FDULKKWUPMPRCX-ZDUSSCGKSA-N 1 2 231.299 1.243 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1oc(C)nc1C ZINC000618904068 352330174 /nfs/dbraw/zinc/33/01/74/352330174.db2.gz AXWSLFXWQNOHBI-SNVBAGLBSA-N 1 2 238.287 1.429 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1oc(C)nc1C ZINC000618904068 352330177 /nfs/dbraw/zinc/33/01/77/352330177.db2.gz AXWSLFXWQNOHBI-SNVBAGLBSA-N 1 2 238.287 1.429 20 0 BDADLO CC[C@@](C)([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411436956 191185603 /nfs/dbraw/zinc/18/56/03/191185603.db2.gz GYAIJPDHLPOCEW-LLVKDONJSA-N 1 2 229.320 1.223 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000294458361 352377308 /nfs/dbraw/zinc/37/73/08/352377308.db2.gz LNBSOJSBDTYCMG-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1[nH+]ccn1CC ZINC000295786647 352424525 /nfs/dbraw/zinc/42/45/25/352424525.db2.gz QNBUFHBJJOCMQF-SECBINFHSA-N 1 2 241.360 1.661 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccsc2)C1 ZINC000291420298 187696546 /nfs/dbraw/zinc/69/65/46/187696546.db2.gz HTTKWNIVJKKNGY-UHFFFAOYSA-N 1 2 210.302 1.068 20 0 BDADLO Cn1ccnc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000265215084 180749812 /nfs/dbraw/zinc/74/98/12/180749812.db2.gz FMKKVCLFQACJQN-GFCCVEGCSA-N 1 2 249.289 1.382 20 0 BDADLO C[C@H](CC(=O)NCCc1[nH]cc[nH+]1)n1cccc1 ZINC000607948201 352453290 /nfs/dbraw/zinc/45/32/90/352453290.db2.gz ASAADOHBLQVEIH-LLVKDONJSA-N 1 2 246.314 1.521 20 0 BDADLO C[NH+](C)Cc1nc([C@H]2CCCS2)no1 ZINC000336181943 538103825 /nfs/dbraw/zinc/10/38/25/538103825.db2.gz FTJMDAHNYCYFOM-SSDOTTSWSA-N 1 2 213.306 1.699 20 0 BDADLO Cc1nc([C@H](C)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000411772973 191209661 /nfs/dbraw/zinc/20/96/61/191209661.db2.gz WITQZUHOITVBKE-AEJSXWLSSA-N 1 2 237.351 1.199 20 0 BDADLO Cc1nc([C@H](C)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000411772973 191209662 /nfs/dbraw/zinc/20/96/62/191209662.db2.gz WITQZUHOITVBKE-AEJSXWLSSA-N 1 2 237.351 1.199 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)OC(C)(C)C ZINC000083502363 180745047 /nfs/dbraw/zinc/74/50/47/180745047.db2.gz RCNZNSFOGCAANJ-UHFFFAOYSA-N 1 2 211.265 1.445 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]C[C@H]1CCCO1)C(C)C ZINC000411787078 191211590 /nfs/dbraw/zinc/21/15/90/191211590.db2.gz KJIXDPSIRUXVQS-NEPJUHHUSA-N 1 2 243.347 1.731 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(Cc2cc[nH]n2)CC1(C)C ZINC000294789228 180757182 /nfs/dbraw/zinc/75/71/82/180757182.db2.gz LUZYSQHDSNULSA-NSHDSACASA-N 1 2 245.330 1.726 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ncnc2c1CCC2 ZINC000608014151 352600341 /nfs/dbraw/zinc/60/03/41/352600341.db2.gz OCNNCKKOOXOJEF-UHFFFAOYSA-N 1 2 229.287 1.325 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411858461 191221803 /nfs/dbraw/zinc/22/18/03/191221803.db2.gz IYXOMUQDGJAKIH-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411858461 191221805 /nfs/dbraw/zinc/22/18/05/191221805.db2.gz IYXOMUQDGJAKIH-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCn1ncnc1CNc1ccc(N(C)C)c[nH+]1 ZINC000638760208 352697877 /nfs/dbraw/zinc/69/78/77/352697877.db2.gz QGLOUOGZDXWRPS-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc(F)c1 ZINC000341599973 352714828 /nfs/dbraw/zinc/71/48/28/352714828.db2.gz JQYKPDAXZKAKMS-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(F)c1 ZINC000341599973 352714830 /nfs/dbraw/zinc/71/48/30/352714830.db2.gz JQYKPDAXZKAKMS-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO Cn1c[nH+]c2c1CCN(CC(F)(F)F)C2 ZINC000363633662 180775804 /nfs/dbraw/zinc/77/58/04/180775804.db2.gz PPEGMXSEJOHUHN-UHFFFAOYSA-N 1 2 219.210 1.341 20 0 BDADLO COc1cc[nH+]cc1NCc1snnc1C ZINC000638787567 352743391 /nfs/dbraw/zinc/74/33/91/352743391.db2.gz RDELQEJHUAYVCF-UHFFFAOYSA-N 1 2 236.300 1.862 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCCC1 ZINC000334214390 352813349 /nfs/dbraw/zinc/81/33/49/352813349.db2.gz FHTMRERZJAJYPS-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCCC1 ZINC000334214390 352813351 /nfs/dbraw/zinc/81/33/51/352813351.db2.gz FHTMRERZJAJYPS-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CS(=O)(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000334211404 352808348 /nfs/dbraw/zinc/80/83/48/352808348.db2.gz PKWOVGZPSBHLIX-UHFFFAOYSA-N 1 2 236.296 1.335 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000334235918 352853725 /nfs/dbraw/zinc/85/37/25/352853725.db2.gz HNZYAORMIWZDMX-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000334235918 352853728 /nfs/dbraw/zinc/85/37/28/352853728.db2.gz HNZYAORMIWZDMX-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2cnn(C)c2)n1C ZINC000342807924 352861067 /nfs/dbraw/zinc/86/10/67/352861067.db2.gz QASZHZXZQGUYOL-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO COc1cc(C[N@@H+]2CCOCC2(C)C)ccn1 ZINC000342858690 352878244 /nfs/dbraw/zinc/87/82/44/352878244.db2.gz FXYUUITWDVQVNQ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cc(C[N@H+]2CCOCC2(C)C)ccn1 ZINC000342858690 352878248 /nfs/dbraw/zinc/87/82/48/352878248.db2.gz FXYUUITWDVQVNQ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334243796 352831981 /nfs/dbraw/zinc/83/19/81/352831981.db2.gz PXEOPXSXPKYTKV-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(N2CCO[C@H](C(C)C)C2)nc[nH+]1 ZINC000349866315 133923235 /nfs/dbraw/zinc/92/32/35/133923235.db2.gz DWMSIRXFOKKCDF-NSHDSACASA-N 1 2 221.304 1.646 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000334246236 352836461 /nfs/dbraw/zinc/83/64/61/352836461.db2.gz UIZBIKPMFFGPHZ-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccccn1 ZINC000334230018 352847508 /nfs/dbraw/zinc/84/75/08/352847508.db2.gz JEURIYUQZCCROJ-UHFFFAOYSA-N 1 2 227.267 1.713 20 0 BDADLO CC(C)N(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000334230733 352848373 /nfs/dbraw/zinc/84/83/73/352848373.db2.gz SHBCWYCSDTURRG-NSHDSACASA-N 1 2 247.342 1.845 20 0 BDADLO Cc1[nH]c(C(=O)NC(C)(C)C2CC2)c[nH+]1 ZINC000334288684 352927376 /nfs/dbraw/zinc/92/73/76/352927376.db2.gz ZOILLIWNLMDKQO-UHFFFAOYSA-N 1 2 207.277 1.637 20 0 BDADLO Cc1ccc(CN2CCn3cc[nH+]c3C2)o1 ZINC000334253007 352889435 /nfs/dbraw/zinc/88/94/35/352889435.db2.gz LPDGHZHUEXAREL-UHFFFAOYSA-N 1 2 217.272 1.800 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000334354940 352991385 /nfs/dbraw/zinc/99/13/85/352991385.db2.gz AOLGVFJTDVAJKZ-WDEREUQCSA-N 1 2 235.331 1.815 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000334314913 352946148 /nfs/dbraw/zinc/94/61/48/352946148.db2.gz QCNQBSMBDAENEX-RKDXNWHRSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000334314913 352946151 /nfs/dbraw/zinc/94/61/51/352946151.db2.gz QCNQBSMBDAENEX-RKDXNWHRSA-N 1 2 209.293 1.862 20 0 BDADLO CC(C)[C@H](C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343037385 352947922 /nfs/dbraw/zinc/94/79/22/352947922.db2.gz JLPHABZOKLHZDC-JTQLQIEISA-N 1 2 248.330 1.499 20 0 BDADLO CC(C)[C@H](C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343037385 352947923 /nfs/dbraw/zinc/94/79/23/352947923.db2.gz JLPHABZOKLHZDC-JTQLQIEISA-N 1 2 248.330 1.499 20 0 BDADLO c1cn(C2C[NH+](Cc3ccsc3)C2)nn1 ZINC000334327622 352964165 /nfs/dbraw/zinc/96/41/65/352964165.db2.gz MDWFYFXVRYGKJV-UHFFFAOYSA-N 1 2 220.301 1.397 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CCCNC(=O)C1 ZINC000638824683 353005808 /nfs/dbraw/zinc/00/58/08/353005808.db2.gz UNUSLPHJOCZTBC-VIFPVBQESA-N 1 2 235.287 1.171 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1[nH+]c2cccc(F)c2n1C ZINC000334361853 353012531 /nfs/dbraw/zinc/01/25/31/353012531.db2.gz JPKFSIKMLXIOKP-RKDXNWHRSA-N 1 2 249.289 1.672 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)nc1 ZINC000334392345 353064144 /nfs/dbraw/zinc/06/41/44/353064144.db2.gz XLYMOEZMPINMAZ-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)nc1 ZINC000334392345 353064145 /nfs/dbraw/zinc/06/41/45/353064145.db2.gz XLYMOEZMPINMAZ-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000236086807 180844346 /nfs/dbraw/zinc/84/43/46/180844346.db2.gz SZOZHMZNIDULJD-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1nccs1 ZINC000334417540 353100563 /nfs/dbraw/zinc/10/05/63/353100563.db2.gz OVIIFEBCHDAUSP-QMMMGPOBSA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1nccs1 ZINC000334417540 353100565 /nfs/dbraw/zinc/10/05/65/353100565.db2.gz OVIIFEBCHDAUSP-QMMMGPOBSA-N 1 2 230.358 1.053 20 0 BDADLO CCc1nc(C[N@H+](C)CC2(O)CCCC2)no1 ZINC000124235998 353160086 /nfs/dbraw/zinc/16/00/86/353160086.db2.gz GVDPDMLIGMUXRY-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@@H+](C)CC2(O)CCCC2)no1 ZINC000124235998 353160089 /nfs/dbraw/zinc/16/00/89/353160089.db2.gz GVDPDMLIGMUXRY-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO c1cn(C2CN(c3ccnc(C4CC4)n3)C2)c[nH+]1 ZINC000532088118 353160925 /nfs/dbraw/zinc/16/09/25/353160925.db2.gz ZPONAYNOGOPMNP-UHFFFAOYSA-N 1 2 241.298 1.612 20 0 BDADLO CCC[C@H](C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000638974833 353180701 /nfs/dbraw/zinc/18/07/01/353180701.db2.gz UMPASANYMPDYBB-GFCCVEGCSA-N 1 2 237.347 1.822 20 0 BDADLO CCC[C@H](C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000638974833 353180704 /nfs/dbraw/zinc/18/07/04/353180704.db2.gz UMPASANYMPDYBB-GFCCVEGCSA-N 1 2 237.347 1.822 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000353758710 188234660 /nfs/dbraw/zinc/23/46/60/188234660.db2.gz KYLVVLPRKOCGCK-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO CCCCOCC[N@H+](CC)Cc1cn(C)nn1 ZINC000359647564 188241921 /nfs/dbraw/zinc/24/19/21/188241921.db2.gz IKLIUYWKYUBOPJ-UHFFFAOYSA-N 1 2 240.351 1.454 20 0 BDADLO CCCCOCC[N@@H+](CC)Cc1cn(C)nn1 ZINC000359647564 188241923 /nfs/dbraw/zinc/24/19/23/188241923.db2.gz IKLIUYWKYUBOPJ-UHFFFAOYSA-N 1 2 240.351 1.454 20 0 BDADLO CC(C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373581924 188249527 /nfs/dbraw/zinc/24/95/27/188249527.db2.gz KCBRPPHWPDEXHH-JTQLQIEISA-N 1 2 221.304 1.312 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCSC1 ZINC000373273659 188249842 /nfs/dbraw/zinc/24/98/42/188249842.db2.gz YDQQLKXSFPXAJP-IUCAKERBSA-N 1 2 237.315 1.441 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCSC1 ZINC000373273659 188249843 /nfs/dbraw/zinc/24/98/43/188249843.db2.gz YDQQLKXSFPXAJP-IUCAKERBSA-N 1 2 237.315 1.441 20 0 BDADLO C/C=C/C=C/C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374660560 188250212 /nfs/dbraw/zinc/25/02/12/188250212.db2.gz GJLHYIKHVSOONZ-VNKDHWASSA-N 1 2 231.299 1.666 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000121869430 188250309 /nfs/dbraw/zinc/25/03/09/188250309.db2.gz YVVBWNXOPDSVHI-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1nc(N(CCO)C2CCC2)cc[nH+]1 ZINC000221027223 188252757 /nfs/dbraw/zinc/25/27/57/188252757.db2.gz BMCSXXSPUXEPNK-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000398300854 363214460 /nfs/dbraw/zinc/21/44/60/363214460.db2.gz GKMGAUHPZWJGAM-VHSXEESVSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000398300854 363214466 /nfs/dbraw/zinc/21/44/66/363214466.db2.gz GKMGAUHPZWJGAM-VHSXEESVSA-N 1 2 208.309 1.863 20 0 BDADLO CC(C)[N@H+](C)CCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000054134734 188300539 /nfs/dbraw/zinc/30/05/39/188300539.db2.gz LECMCWMVYSVXKJ-UHFFFAOYSA-N 1 2 237.303 1.532 20 0 BDADLO CC(C)[N@@H+](C)CCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000054134734 188300540 /nfs/dbraw/zinc/30/05/40/188300540.db2.gz LECMCWMVYSVXKJ-UHFFFAOYSA-N 1 2 237.303 1.532 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000398300850 363214805 /nfs/dbraw/zinc/21/48/05/363214805.db2.gz GKMGAUHPZWJGAM-NXEZZACHSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000398300850 363214810 /nfs/dbraw/zinc/21/48/10/363214810.db2.gz GKMGAUHPZWJGAM-NXEZZACHSA-N 1 2 208.309 1.863 20 0 BDADLO CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000048968413 188327500 /nfs/dbraw/zinc/32/75/00/188327500.db2.gz NEEPMSUIUDEMKO-UHFFFAOYSA-N 1 2 203.245 1.279 20 0 BDADLO CC(=O)c1ccc(NC(=O)C[NH+](C)C)cc1C ZINC000121542923 188329234 /nfs/dbraw/zinc/32/92/34/188329234.db2.gz CTSDEKUVJRBGQH-UHFFFAOYSA-N 1 2 234.299 1.698 20 0 BDADLO CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122913873 188329277 /nfs/dbraw/zinc/32/92/77/188329277.db2.gz QMBOHGYOYMUYFP-KOLCDFICSA-N 1 2 207.277 1.313 20 0 BDADLO CC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000125337595 188329772 /nfs/dbraw/zinc/32/97/72/188329772.db2.gz SPSOZXRKLAMNPS-CYBMUJFWSA-N 1 2 246.310 1.139 20 0 BDADLO CC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000125337595 188329774 /nfs/dbraw/zinc/32/97/74/188329774.db2.gz SPSOZXRKLAMNPS-CYBMUJFWSA-N 1 2 246.310 1.139 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCOCC1(C)C ZINC000130859499 188331129 /nfs/dbraw/zinc/33/11/29/188331129.db2.gz YGQHFVZQFLNUAV-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCOCC1(C)C ZINC000130859499 188331130 /nfs/dbraw/zinc/33/11/30/188331130.db2.gz YGQHFVZQFLNUAV-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO CC(=O)N1CC(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000188566448 188348455 /nfs/dbraw/zinc/34/84/55/188348455.db2.gz TUGBOAGFYGTRSP-UHFFFAOYSA-N 1 2 247.298 1.115 20 0 BDADLO CC(C)[N@@H+](Cc1csnn1)C[C@@H](C)O ZINC000120025284 188350086 /nfs/dbraw/zinc/35/00/86/188350086.db2.gz IENCBQHMFOTBGR-MRVPVSSYSA-N 1 2 215.322 1.129 20 0 BDADLO CC(C)[N@H+](Cc1csnn1)C[C@@H](C)O ZINC000120025284 188350088 /nfs/dbraw/zinc/35/00/88/188350088.db2.gz IENCBQHMFOTBGR-MRVPVSSYSA-N 1 2 215.322 1.129 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](C)c1nccs1)C(=O)OC ZINC000192864098 188352350 /nfs/dbraw/zinc/35/23/50/188352350.db2.gz YGUJPAYIXAXJNG-BDAKNGLRSA-N 1 2 242.344 1.788 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000336767042 188352791 /nfs/dbraw/zinc/35/27/91/188352791.db2.gz STQBGJHCLLCSTP-UMBAGQNISA-N 1 2 207.277 1.524 20 0 BDADLO C=Cn1cc(C[N@H+]2CCCN(CC)C(=O)C2)cn1 ZINC000194843084 188352826 /nfs/dbraw/zinc/35/28/26/188352826.db2.gz BZLYGCFYVVWUTB-UHFFFAOYSA-N 1 2 248.330 1.038 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCCN(CC)C(=O)C2)cn1 ZINC000194843084 188352828 /nfs/dbraw/zinc/35/28/28/188352828.db2.gz BZLYGCFYVVWUTB-UHFFFAOYSA-N 1 2 248.330 1.038 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](O)C2(C)C)c(C#N)c[nH+]1 ZINC000398962456 353388550 /nfs/dbraw/zinc/38/85/50/353388550.db2.gz NZARFCAFCDRZET-NWDGAFQWSA-N 1 2 231.299 1.255 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C(=O)NC2CC2)cc[nH+]1 ZINC000266444059 188372452 /nfs/dbraw/zinc/37/24/52/188372452.db2.gz WQZAQCXWALUGAE-LLVKDONJSA-N 1 2 246.314 1.032 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000336701668 188359582 /nfs/dbraw/zinc/35/95/82/188359582.db2.gz UKDAKRLTPBSXGO-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000336701668 188359584 /nfs/dbraw/zinc/35/95/84/188359584.db2.gz UKDAKRLTPBSXGO-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)o1 ZINC000118413995 353416176 /nfs/dbraw/zinc/41/61/76/353416176.db2.gz TWLOHGDGODCATA-DTWKUNHWSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](C)[C@@H]2C)o1 ZINC000118413995 353416178 /nfs/dbraw/zinc/41/61/78/353416178.db2.gz TWLOHGDGODCATA-DTWKUNHWSA-N 1 2 241.360 1.958 20 0 BDADLO COCC[C@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225835316 491051178 /nfs/dbraw/zinc/05/11/78/491051178.db2.gz UQROGZQDHBAKNP-VIFPVBQESA-N 1 2 210.277 1.927 20 0 BDADLO CC(C)N1CC[N@H+](Cc2cccs2)CC1=O ZINC000272497450 188376715 /nfs/dbraw/zinc/37/67/15/188376715.db2.gz GEONBDVGWXCQMT-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2cccs2)CC1=O ZINC000272497450 188376718 /nfs/dbraw/zinc/37/67/18/188376718.db2.gz GEONBDVGWXCQMT-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CC(C)N1CC[N@H+](Cc2cccc(O)c2)CC1=O ZINC000272573410 188377594 /nfs/dbraw/zinc/37/75/94/188377594.db2.gz WJOBLUUDJOPGDL-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2cccc(O)c2)CC1=O ZINC000272573410 188377596 /nfs/dbraw/zinc/37/75/96/188377596.db2.gz WJOBLUUDJOPGDL-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO Fc1cccc(C2CC([NH2+]Cc3c[nH]nn3)C2)c1 ZINC000398362368 363225802 /nfs/dbraw/zinc/22/58/02/363225802.db2.gz YBXHMFAHHFTQPQ-UHFFFAOYSA-N 1 2 246.289 1.980 20 0 BDADLO Fc1cccc(C2CC([NH2+]Cc3cn[nH]n3)C2)c1 ZINC000398362368 363225809 /nfs/dbraw/zinc/22/58/09/363225809.db2.gz YBXHMFAHHFTQPQ-UHFFFAOYSA-N 1 2 246.289 1.980 20 0 BDADLO CC(C)=CCCNC(=O)CCn1cc[nH+]c1 ZINC000276666144 188379965 /nfs/dbraw/zinc/37/99/65/188379965.db2.gz XIASMDJOCNXFFD-UHFFFAOYSA-N 1 2 221.304 1.746 20 0 BDADLO CC(C)N(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000276440925 188380431 /nfs/dbraw/zinc/38/04/31/188380431.db2.gz FFCQCSPZUNNDSH-UHFFFAOYSA-N 1 2 224.308 1.312 20 0 BDADLO CC(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000279262048 188382144 /nfs/dbraw/zinc/38/21/44/188382144.db2.gz VBVCRXGLBYTMFS-CYBMUJFWSA-N 1 2 247.342 1.982 20 0 BDADLO CC(=O)OCCCSCc1[nH+]ccn1C ZINC000278572179 188382864 /nfs/dbraw/zinc/38/28/64/188382864.db2.gz DRYRZBGJOAPPKP-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000278455762 188382931 /nfs/dbraw/zinc/38/29/31/188382931.db2.gz OAGWHGHBIHEXNZ-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC000278455762 188382933 /nfs/dbraw/zinc/38/29/33/188382933.db2.gz OAGWHGHBIHEXNZ-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1noc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000286228854 188386458 /nfs/dbraw/zinc/38/64/58/188386458.db2.gz AZTAUMUOXCFZGN-SNVBAGLBSA-N 1 2 245.286 1.818 20 0 BDADLO CC(=O)C1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000293106678 188391598 /nfs/dbraw/zinc/39/15/98/188391598.db2.gz HOELWABHIKJDOO-JTQLQIEISA-N 1 2 249.314 1.005 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C1CCCC1 ZINC000366669638 188389336 /nfs/dbraw/zinc/38/93/36/188389336.db2.gz YRWZFIGYNVAGIY-VIFPVBQESA-N 1 2 205.248 1.631 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C1CCCC1 ZINC000366669638 188389337 /nfs/dbraw/zinc/38/93/37/188389337.db2.gz YRWZFIGYNVAGIY-VIFPVBQESA-N 1 2 205.248 1.631 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000289664487 188389489 /nfs/dbraw/zinc/38/94/89/188389489.db2.gz DAGMNUVAXDZTNN-GFCCVEGCSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000289664487 188389491 /nfs/dbraw/zinc/38/94/91/188389491.db2.gz DAGMNUVAXDZTNN-GFCCVEGCSA-N 1 2 241.310 1.025 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000299076546 188395697 /nfs/dbraw/zinc/39/56/97/188395697.db2.gz XRZAPIGTSYZADK-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO C[C@]1(C[NH2+]Cc2c[nH]nn2)CCCS1 ZINC000398408150 363232061 /nfs/dbraw/zinc/23/20/61/363232061.db2.gz REONXSORHHKGGI-SECBINFHSA-N 1 2 212.322 1.180 20 0 BDADLO C[C@]1(C[NH2+]Cc2cn[nH]n2)CCCS1 ZINC000398408150 363232066 /nfs/dbraw/zinc/23/20/66/363232066.db2.gz REONXSORHHKGGI-SECBINFHSA-N 1 2 212.322 1.180 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639099347 353504811 /nfs/dbraw/zinc/50/48/11/353504811.db2.gz PEECNVVBGYAADR-PWSUYJOCSA-N 1 2 238.335 1.470 20 0 BDADLO CC[C@@](C)(C[N@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639099347 353504815 /nfs/dbraw/zinc/50/48/15/353504815.db2.gz PEECNVVBGYAADR-PWSUYJOCSA-N 1 2 238.335 1.470 20 0 BDADLO CCc1cnc(C[NH2+][C@@H](C)C(=O)N(C)C)s1 ZINC000336779468 353552965 /nfs/dbraw/zinc/55/29/65/353552965.db2.gz OJKNQLAGBCWBMO-QMMMGPOBSA-N 1 2 241.360 1.272 20 0 BDADLO Fc1cccc(F)c1C[NH2+]Cc1cc[nH]n1 ZINC000041013853 181000662 /nfs/dbraw/zinc/00/06/62/181000662.db2.gz QXKHXPKTQOYKDW-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO Fc1cccc2c1C[N@@H+]([C@H]1CCOC1)CCO2 ZINC000336481907 181007026 /nfs/dbraw/zinc/00/70/26/181007026.db2.gz QVFVJGBHHTYUET-JTQLQIEISA-N 1 2 237.274 1.809 20 0 BDADLO Fc1cccc2c1C[N@H+]([C@H]1CCOC1)CCO2 ZINC000336481907 181007027 /nfs/dbraw/zinc/00/70/27/181007027.db2.gz QVFVJGBHHTYUET-JTQLQIEISA-N 1 2 237.274 1.809 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)no1 ZINC000580343426 353764743 /nfs/dbraw/zinc/76/47/43/353764743.db2.gz OOJOPXXXWURJSM-BDAKNGLRSA-N 1 2 239.319 1.271 20 0 BDADLO Fc1cccc2c1C[N@H+](CC1OCCO1)CC2 ZINC000272038733 181007363 /nfs/dbraw/zinc/00/73/63/181007363.db2.gz AFHVDUQGXYYRQI-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO Fc1cccc2c1C[N@@H+](CC1OCCO1)CC2 ZINC000272038733 181007364 /nfs/dbraw/zinc/00/73/64/181007364.db2.gz AFHVDUQGXYYRQI-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO Fc1cncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000275101187 181019109 /nfs/dbraw/zinc/01/91/09/181019109.db2.gz CJTYZKSMDQLZHJ-QWHCGFSZSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000275101187 181019111 /nfs/dbraw/zinc/01/91/11/181019111.db2.gz CJTYZKSMDQLZHJ-QWHCGFSZSA-N 1 2 236.290 1.974 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cccc(F)c1F ZINC000008532932 353838380 /nfs/dbraw/zinc/83/83/80/353838380.db2.gz FFSHNCKLTRUSCB-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cccc(F)c1F ZINC000008532932 353838383 /nfs/dbraw/zinc/83/83/83/353838383.db2.gz FFSHNCKLTRUSCB-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO CCC1C[NH+](Cc2c(Cl)cnn2C)C1 ZINC000334523058 353891051 /nfs/dbraw/zinc/89/10/51/353891051.db2.gz YZVICHDNXOOWPJ-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO OCc1ccc(NCC2CCSCC2)[nH+]c1 ZINC000639132728 353842810 /nfs/dbraw/zinc/84/28/10/353842810.db2.gz SWQXEHHMFQZYBF-UHFFFAOYSA-N 1 2 238.356 1.551 20 0 BDADLO FCC[NH2+]Cc1ccncc1Br ZINC000639133356 353843835 /nfs/dbraw/zinc/84/38/35/353843835.db2.gz NHZIZOGDZOEYBF-UHFFFAOYSA-N 1 2 233.084 1.903 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334536842 353923938 /nfs/dbraw/zinc/92/39/38/353923938.db2.gz ANSGRYVCRZEEQU-PSASIEDQSA-N 1 2 212.272 1.310 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@](C)(F)C1 ZINC000334536842 353923942 /nfs/dbraw/zinc/92/39/42/353923942.db2.gz ANSGRYVCRZEEQU-PSASIEDQSA-N 1 2 212.272 1.310 20 0 BDADLO CC[C@]1(C)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000074156647 353929829 /nfs/dbraw/zinc/92/98/29/353929829.db2.gz WWGGLIDLHRYSLA-CYBMUJFWSA-N 1 2 235.331 1.922 20 0 BDADLO Cc1cc(NC[C@@H](CO)C(C)C)nc(C2CC2)[nH+]1 ZINC000343757703 353974927 /nfs/dbraw/zinc/97/49/27/353974927.db2.gz ATVVSHIGEXTXRX-LBPRGKRZSA-N 1 2 249.358 1.761 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](CO)C(C)C)[nH+]1 ZINC000343809324 354011140 /nfs/dbraw/zinc/01/11/40/354011140.db2.gz OADVQMGYMBLPKN-SNVBAGLBSA-N 1 2 248.330 1.365 20 0 BDADLO COc1cc[nH+]cc1CSc1nc[nH]n1 ZINC000343831123 354033821 /nfs/dbraw/zinc/03/38/21/354033821.db2.gz BOCBIFBVTCONCW-UHFFFAOYSA-N 1 2 222.273 1.501 20 0 BDADLO CN(CCC(N)=O)c1ccc2ccccc2[nH+]1 ZINC000343992567 354063879 /nfs/dbraw/zinc/06/38/79/354063879.db2.gz YRNUMHQIMXTNJL-UHFFFAOYSA-N 1 2 229.283 1.546 20 0 BDADLO C[C@@H](SCCn1cc[nH+]c1)[C@H](C)O ZINC000230355666 363304636 /nfs/dbraw/zinc/30/46/36/363304636.db2.gz AOCIJVUFBZUHNU-DTWKUNHWSA-N 1 2 200.307 1.386 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000343941607 354049235 /nfs/dbraw/zinc/04/92/35/354049235.db2.gz OPCFFYCCIYVNDT-KBPBESRZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000343941607 354049239 /nfs/dbraw/zinc/04/92/39/354049239.db2.gz OPCFFYCCIYVNDT-KBPBESRZSA-N 1 2 248.326 1.844 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000343979943 354056924 /nfs/dbraw/zinc/05/69/24/354056924.db2.gz GUTNEAROTDWSLF-RKDXNWHRSA-N 1 2 207.277 1.257 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000642328853 363325271 /nfs/dbraw/zinc/32/52/71/363325271.db2.gz DGYJYSXTYPMGFB-UHFFFAOYSA-N 1 2 226.345 1.658 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000642328853 363325277 /nfs/dbraw/zinc/32/52/77/363325277.db2.gz DGYJYSXTYPMGFB-UHFFFAOYSA-N 1 2 226.345 1.658 20 0 BDADLO OCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000344008712 354114867 /nfs/dbraw/zinc/11/48/67/354114867.db2.gz ZJKIRFKNZDIXJR-LBPRGKRZSA-N 1 2 246.314 1.256 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129071 354147159 /nfs/dbraw/zinc/14/71/59/354147159.db2.gz XMBGUDZKYDMAGE-BDAKNGLRSA-N 1 2 242.298 1.438 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129071 354147162 /nfs/dbraw/zinc/14/71/62/354147162.db2.gz XMBGUDZKYDMAGE-BDAKNGLRSA-N 1 2 242.298 1.438 20 0 BDADLO COc1ccccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000344133427 354149381 /nfs/dbraw/zinc/14/93/81/354149381.db2.gz UPCVIUXNJHLCET-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC1(C)CC1 ZINC000366861819 354204696 /nfs/dbraw/zinc/20/46/96/354204696.db2.gz GKRGEGRCFJQIDM-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC1(C)CC1 ZINC000366861819 354204699 /nfs/dbraw/zinc/20/46/99/354204699.db2.gz GKRGEGRCFJQIDM-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000334597332 354231508 /nfs/dbraw/zinc/23/15/08/354231508.db2.gz KAFARMUVWGMVNX-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000334597332 354231510 /nfs/dbraw/zinc/23/15/10/354231510.db2.gz KAFARMUVWGMVNX-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000334598254 354232896 /nfs/dbraw/zinc/23/28/96/354232896.db2.gz WXIBFGZEKKAPFH-QWRGUYRKSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000334599982 354236292 /nfs/dbraw/zinc/23/62/92/354236292.db2.gz ZBYUDJJJDHYTJX-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000334599982 354236294 /nfs/dbraw/zinc/23/62/94/354236294.db2.gz ZBYUDJJJDHYTJX-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000334599982 354236297 /nfs/dbraw/zinc/23/62/97/354236297.db2.gz ZBYUDJJJDHYTJX-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000334599982 354236299 /nfs/dbraw/zinc/23/62/99/354236299.db2.gz ZBYUDJJJDHYTJX-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cn1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)n1 ZINC000344343884 354237935 /nfs/dbraw/zinc/23/79/35/354237935.db2.gz IKHYRAFDZYIPEU-ZDUSSCGKSA-N 1 2 249.289 1.382 20 0 BDADLO COCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000577990696 366161176 /nfs/dbraw/zinc/16/11/76/366161176.db2.gz MFUOKOQGVLROOM-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]1C1CC1 ZINC000334687524 354433638 /nfs/dbraw/zinc/43/36/38/354433638.db2.gz AHCIYODZAUTKEC-PWSUYJOCSA-N 1 2 245.326 1.841 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC(=O)N1 ZINC000334645634 354434877 /nfs/dbraw/zinc/43/48/77/354434877.db2.gz GYFZOYJFYIUKQO-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC(=O)N1 ZINC000334645634 354434880 /nfs/dbraw/zinc/43/48/80/354434880.db2.gz GYFZOYJFYIUKQO-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO COC1(C)C[NH+](Cc2c(C)nc3ccccn32)C1 ZINC000334644509 354403266 /nfs/dbraw/zinc/40/32/66/354403266.db2.gz IUWHBSWCXKPUBF-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO O=C1C[N@H+](CC2CC(F)(F)C2)CCN1C1CC1 ZINC000334651164 354443795 /nfs/dbraw/zinc/44/37/95/354443795.db2.gz HFDCQEIZCWUZTC-UHFFFAOYSA-N 1 2 244.285 1.338 20 0 BDADLO O=C1C[N@@H+](CC2CC(F)(F)C2)CCN1C1CC1 ZINC000334651164 354443799 /nfs/dbraw/zinc/44/37/99/354443799.db2.gz HFDCQEIZCWUZTC-UHFFFAOYSA-N 1 2 244.285 1.338 20 0 BDADLO CC[C@]1(C)COCCN1Cc1[nH+]ccn1C ZINC000334658862 354454925 /nfs/dbraw/zinc/45/49/25/354454925.db2.gz KNVGNKZGQGHYFB-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1nccn1C ZINC000334658862 354454928 /nfs/dbraw/zinc/45/49/28/354454928.db2.gz KNVGNKZGQGHYFB-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1nccn1C ZINC000334658862 354454932 /nfs/dbraw/zinc/45/49/32/354454932.db2.gz KNVGNKZGQGHYFB-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)C1(O)CCC1 ZINC000334689468 354477546 /nfs/dbraw/zinc/47/75/46/354477546.db2.gz IHEZUDDGYGAXOT-UHFFFAOYSA-N 1 2 235.287 1.073 20 0 BDADLO CC1(CO)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000334691549 354480481 /nfs/dbraw/zinc/48/04/81/354480481.db2.gz ZTOUNCYILROTHL-UHFFFAOYSA-N 1 2 217.272 1.382 20 0 BDADLO O=C1[C@H]([N@@H+]2CC[C@H](F)C2)CCN1c1ccccc1 ZINC000334697468 354489314 /nfs/dbraw/zinc/48/93/14/354489314.db2.gz CORMENWHIXZFDZ-WCQYABFASA-N 1 2 248.301 1.836 20 0 BDADLO O=C1[C@H]([N@H+]2CC[C@H](F)C2)CCN1c1ccccc1 ZINC000334697468 354489318 /nfs/dbraw/zinc/48/93/18/354489318.db2.gz CORMENWHIXZFDZ-WCQYABFASA-N 1 2 248.301 1.836 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@](C)(O)C1 ZINC000334799762 354555731 /nfs/dbraw/zinc/55/57/31/354555731.db2.gz XTNAVYKEAFTEIG-CYBMUJFWSA-N 1 2 249.289 1.674 20 0 BDADLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000334812459 354569922 /nfs/dbraw/zinc/56/99/22/354569922.db2.gz QBPDIVSJYIELRN-NWDGAFQWSA-N 1 2 242.338 1.677 20 0 BDADLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](F)C1 ZINC000334812459 354569924 /nfs/dbraw/zinc/56/99/24/354569924.db2.gz QBPDIVSJYIELRN-NWDGAFQWSA-N 1 2 242.338 1.677 20 0 BDADLO O=C1[C@H](Nc2cccc[nH+]2)C[C@H]2CCCCN12 ZINC000334813767 354571547 /nfs/dbraw/zinc/57/15/47/354571547.db2.gz WTWGFDFZNQWYEZ-GHMZBOCLSA-N 1 2 231.299 1.647 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2cccn2C)c2[nH+]ccn21 ZINC000334753667 354575016 /nfs/dbraw/zinc/57/50/16/354575016.db2.gz DEHDQGDVLYYGKU-VHSXEESVSA-N 1 2 244.298 1.657 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2cccn2C)c2[nH+]ccn21 ZINC000334753668 354575210 /nfs/dbraw/zinc/57/52/10/354575210.db2.gz DEHDQGDVLYYGKU-ZJUUUORDSA-N 1 2 244.298 1.657 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000334755348 354576928 /nfs/dbraw/zinc/57/69/28/354576928.db2.gz XMISRNLVGGAFST-LDYMZIIASA-N 1 2 236.319 1.854 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000334755348 354576929 /nfs/dbraw/zinc/57/69/29/354576929.db2.gz XMISRNLVGGAFST-LDYMZIIASA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000334755348 354576930 /nfs/dbraw/zinc/57/69/30/354576930.db2.gz XMISRNLVGGAFST-LDYMZIIASA-N 1 2 236.319 1.854 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000334755348 354576931 /nfs/dbraw/zinc/57/69/31/354576931.db2.gz XMISRNLVGGAFST-LDYMZIIASA-N 1 2 236.319 1.854 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CCc2cccc(F)c2C1 ZINC000335938031 134013248 /nfs/dbraw/zinc/01/32/48/134013248.db2.gz GOVRXRGVARZLDP-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO C[C@H]1C[N@H+](CCn2cc(Cl)cn2)[C@@H](C)CO1 ZINC000334796061 354550354 /nfs/dbraw/zinc/55/03/54/354550354.db2.gz XMBCPTVLWFTPHW-UWVGGRQHSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@H]1C[N@@H+](CCn2cc(Cl)cn2)[C@@H](C)CO1 ZINC000334796061 354550357 /nfs/dbraw/zinc/55/03/57/354550357.db2.gz XMBCPTVLWFTPHW-UWVGGRQHSA-N 1 2 243.738 1.646 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335081067 354644180 /nfs/dbraw/zinc/64/41/80/354644180.db2.gz NIOSNMJNXVKDSL-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000335081067 354644183 /nfs/dbraw/zinc/64/41/83/354644183.db2.gz NIOSNMJNXVKDSL-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO CC(C)CC[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345504939 354682403 /nfs/dbraw/zinc/68/24/03/354682403.db2.gz GQCYPFNIJGXCAG-NXEZZACHSA-N 1 2 248.317 1.925 20 0 BDADLO C[C@H]1C[N@H+](CCOC(C)(C)C)CC[S@@]1=O ZINC000345729189 354746075 /nfs/dbraw/zinc/74/60/75/354746075.db2.gz OFHYBWLKZZDHIP-BONVTDFDSA-N 1 2 233.377 1.254 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(C)(C)C)CC[S@@]1=O ZINC000345729189 354746077 /nfs/dbraw/zinc/74/60/77/354746077.db2.gz OFHYBWLKZZDHIP-BONVTDFDSA-N 1 2 233.377 1.254 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(F)(F)C1 ZINC000335135590 354784619 /nfs/dbraw/zinc/78/46/19/354784619.db2.gz WHGZBZNWKDNYOF-UHFFFAOYSA-N 1 2 215.247 1.744 20 0 BDADLO Cc1sccc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000345912378 354806140 /nfs/dbraw/zinc/80/61/40/354806140.db2.gz UETSSVNAKDNGAZ-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1sccc1CC(=O)NCc1c[nH]c[nH+]1 ZINC000345912378 354806145 /nfs/dbraw/zinc/80/61/45/354806145.db2.gz UETSSVNAKDNGAZ-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO CSC1(C(=O)NCc2[nH+]ccn2C)CCC1 ZINC000345881682 354796082 /nfs/dbraw/zinc/79/60/82/354796082.db2.gz LCNXENAUSSZYAE-UHFFFAOYSA-N 1 2 239.344 1.322 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nnc3n2CCC3)o1 ZINC000642339578 363417403 /nfs/dbraw/zinc/41/74/03/363417403.db2.gz USMLDHFEBUHURV-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)c[nH+]1 ZINC000335142473 354848674 /nfs/dbraw/zinc/84/86/74/354848674.db2.gz LKXQPXBPIICJNM-YPMHNXCESA-N 1 2 249.314 1.406 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCC[C@@H]1SCC ZINC000233657853 363405106 /nfs/dbraw/zinc/40/51/06/363405106.db2.gz NQDGBVOIQFCXIL-UWVGGRQHSA-N 1 2 231.361 1.813 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC(F)F)CCC1=O ZINC000235368260 363442329 /nfs/dbraw/zinc/44/23/29/363442329.db2.gz OPNTXNCCEKSHFF-MRVPVSSYSA-N 1 2 221.247 1.179 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC(F)F)CCC1=O ZINC000235368260 363442334 /nfs/dbraw/zinc/44/23/34/363442334.db2.gz OPNTXNCCEKSHFF-MRVPVSSYSA-N 1 2 221.247 1.179 20 0 BDADLO Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)[nH]n1 ZINC000335161031 354912045 /nfs/dbraw/zinc/91/20/45/354912045.db2.gz ASVHBLRDWQUWJC-BDAKNGLRSA-N 1 2 245.286 1.350 20 0 BDADLO c1ncc(C[N@H+]2CCOCC3(CCC3)C2)[nH]1 ZINC000335167702 354927271 /nfs/dbraw/zinc/92/72/71/354927271.db2.gz FIMABAUAUKDWNG-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000639224009 354957043 /nfs/dbraw/zinc/95/70/43/354957043.db2.gz XSKHRQZUFOEENX-LLVKDONJSA-N 1 2 220.320 1.843 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000639224009 354957047 /nfs/dbraw/zinc/95/70/47/354957047.db2.gz XSKHRQZUFOEENX-LLVKDONJSA-N 1 2 220.320 1.843 20 0 BDADLO C[C@H](CCC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC000346522692 354974597 /nfs/dbraw/zinc/97/45/97/354974597.db2.gz DOWWMVFWFLAKPG-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H](C(N)=O)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000346526644 354976286 /nfs/dbraw/zinc/97/62/86/354976286.db2.gz AFLCHKWVRZPOOL-ZETCQYMHSA-N 1 2 244.697 1.785 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000346526644 354976288 /nfs/dbraw/zinc/97/62/88/354976288.db2.gz AFLCHKWVRZPOOL-ZETCQYMHSA-N 1 2 244.697 1.785 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)CCc1c[nH+]cn1C ZINC000335201988 355036275 /nfs/dbraw/zinc/03/62/75/355036275.db2.gz ZXSLPZINYSOJIY-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cncn1C ZINC000335206040 355041211 /nfs/dbraw/zinc/04/12/11/355041211.db2.gz LQWCAPKTRIQCCF-UHFFFAOYSA-N 1 2 230.271 1.052 20 0 BDADLO C[C@]1(C(=O)Nc2c[nH+]c3n2CCCC3)C[C@H]1F ZINC000335190400 355022899 /nfs/dbraw/zinc/02/28/99/355022899.db2.gz DBZSXWZAZCNXJJ-PELKAZGASA-N 1 2 237.278 1.906 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000335224652 355065608 /nfs/dbraw/zinc/06/56/08/355065608.db2.gz ONDXDFPRJRJVEW-VIFPVBQESA-N 1 2 234.303 1.207 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346837337 355131759 /nfs/dbraw/zinc/13/17/59/355131759.db2.gz XSYFPXMNTVSFOT-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000346837337 355131761 /nfs/dbraw/zinc/13/17/61/355131761.db2.gz XSYFPXMNTVSFOT-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO CC1(C)CC[C@@]2(C1)NC(=O)[C@H]1CSCC[N@H+]12 ZINC000335259751 355199792 /nfs/dbraw/zinc/19/97/92/355199792.db2.gz SEBZAWWDJWAMRA-BXKDBHETSA-N 1 2 240.372 1.440 20 0 BDADLO CC1(C)CC[C@@]2(C1)NC(=O)[C@H]1CSCC[N@@H+]12 ZINC000335259751 355199794 /nfs/dbraw/zinc/19/97/94/355199794.db2.gz SEBZAWWDJWAMRA-BXKDBHETSA-N 1 2 240.372 1.440 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000623215153 355222587 /nfs/dbraw/zinc/22/25/87/355222587.db2.gz NSOIOUVVXCYTME-SNVBAGLBSA-N 1 2 246.318 1.188 20 0 BDADLO CC[C@@H](CCO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413149030 191360279 /nfs/dbraw/zinc/36/02/79/191360279.db2.gz BFCKLFUDJHLHCC-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@@H](CCO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413149030 191360282 /nfs/dbraw/zinc/36/02/82/191360282.db2.gz BFCKLFUDJHLHCC-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCCF)[C@H]1CCCOC1 ZINC000347616556 355236494 /nfs/dbraw/zinc/23/64/94/355236494.db2.gz RRSNVHAUZUWBOQ-WDEREUQCSA-N 1 2 247.310 1.294 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCCF)[C@H]1CCCOC1 ZINC000347616554 355236803 /nfs/dbraw/zinc/23/68/03/355236803.db2.gz RRSNVHAUZUWBOQ-QWRGUYRKSA-N 1 2 247.310 1.294 20 0 BDADLO COC(=O)CC1([NH2+]Cc2cn[nH]c2C)CCC1 ZINC000347630434 355241158 /nfs/dbraw/zinc/24/11/58/355241158.db2.gz MZQYXMVGRSPDOI-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CCOCC[NH+]1CCN(C[C@H](CC)OC)CC1 ZINC000412980407 191350635 /nfs/dbraw/zinc/35/06/35/191350635.db2.gz XHBYMKRJZDZXQG-ZDUSSCGKSA-N 1 2 244.379 1.066 20 0 BDADLO Cc1nc(N2CCO[C@@H](CF)C2)c(C)c(C)[nH+]1 ZINC000413468946 191383423 /nfs/dbraw/zinc/38/34/23/191383423.db2.gz DLISROFDPZEFSG-NSHDSACASA-N 1 2 239.294 1.577 20 0 BDADLO c1nc(N2C[C@@H]3C[C@H]2CS3)cc(NC2CC2)[nH+]1 ZINC000413443624 191384706 /nfs/dbraw/zinc/38/47/06/191384706.db2.gz BPMRXBJVCXKHOM-UWVGGRQHSA-N 1 2 248.355 1.745 20 0 BDADLO c1nc(NC2CC2)cc(N2C[C@@H]3C[C@H]2CS3)[nH+]1 ZINC000413443624 191384708 /nfs/dbraw/zinc/38/47/08/191384708.db2.gz BPMRXBJVCXKHOM-UWVGGRQHSA-N 1 2 248.355 1.745 20 0 BDADLO COCC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC000413490047 191388766 /nfs/dbraw/zinc/38/87/66/191388766.db2.gz HXZDCHXBFJGLHN-VIFPVBQESA-N 1 2 209.293 1.291 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[C@H]1O ZINC000413254910 191366429 /nfs/dbraw/zinc/36/64/29/191366429.db2.gz ZUYZNYFJIWQYQW-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC[C@H]1O ZINC000413254910 191366432 /nfs/dbraw/zinc/36/64/32/191366432.db2.gz ZUYZNYFJIWQYQW-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413304158 191370554 /nfs/dbraw/zinc/37/05/54/191370554.db2.gz PFSQNPNODRBGRC-VIFPVBQESA-N 1 2 222.292 1.234 20 0 BDADLO CC[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413304158 191370556 /nfs/dbraw/zinc/37/05/56/191370556.db2.gz PFSQNPNODRBGRC-VIFPVBQESA-N 1 2 222.292 1.234 20 0 BDADLO F[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413319451 191373012 /nfs/dbraw/zinc/37/30/12/191373012.db2.gz DDDOFDUZLDUIGM-MRVPVSSYSA-N 1 2 222.267 1.599 20 0 BDADLO F[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413319451 191373014 /nfs/dbraw/zinc/37/30/14/191373014.db2.gz DDDOFDUZLDUIGM-MRVPVSSYSA-N 1 2 222.267 1.599 20 0 BDADLO CC(C)c1nc(NC[C@]2(C)CCC(=O)N2)cc[nH+]1 ZINC000413343322 191373963 /nfs/dbraw/zinc/37/39/63/191373963.db2.gz PWZRNEMXDVWNRP-ZDUSSCGKSA-N 1 2 248.330 1.103 20 0 BDADLO Cc1nc(C[NH2+][C@@]2(C)CCO[C@@H]2C)no1 ZINC000235655786 363449538 /nfs/dbraw/zinc/44/95/38/363449538.db2.gz QTTNXHIFZJVEHD-XCBNKYQSSA-N 1 2 211.265 1.035 20 0 BDADLO Cc1nc(N[C@H](C)c2ccn(C)n2)cc[nH+]1 ZINC000413458058 191381458 /nfs/dbraw/zinc/38/14/58/191381458.db2.gz LWYWGHJHFAYUBQ-MRVPVSSYSA-N 1 2 217.276 1.114 20 0 BDADLO CCC[C@@H](C[NH+]1CC(OCC(F)F)C1)OC ZINC000639251994 355285415 /nfs/dbraw/zinc/28/54/15/355285415.db2.gz ZNTQMCOZZGVOKZ-VIFPVBQESA-N 1 2 237.290 1.767 20 0 BDADLO CC(C)(CN1CC(C(F)F)C1)[NH+]1CCOCC1 ZINC000639253044 355287987 /nfs/dbraw/zinc/28/79/87/355287987.db2.gz ZYQIIMCZEZQJPW-UHFFFAOYSA-N 1 2 248.317 1.294 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349234994 355372001 /nfs/dbraw/zinc/37/20/01/355372001.db2.gz FLYAHLPJXHCBBG-VHSXEESVSA-N 1 2 239.319 1.486 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccon1 ZINC000349239868 355374174 /nfs/dbraw/zinc/37/41/74/355374174.db2.gz LOZPHRFMLKQZAR-VIFPVBQESA-N 1 2 237.303 1.384 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2ccon2)ccn1 ZINC000349242759 355374988 /nfs/dbraw/zinc/37/49/88/355374988.db2.gz PARBQFDCOFHFAF-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cncs1 ZINC000335790240 355441280 /nfs/dbraw/zinc/44/12/80/355441280.db2.gz YPIMJFJZWRREKT-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cncs1 ZINC000335790240 355441284 /nfs/dbraw/zinc/44/12/84/355441284.db2.gz YPIMJFJZWRREKT-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO CCN1CC[N@H+](C[C@@H]2CCC(C)(C)O2)CC1=O ZINC000335796393 355452597 /nfs/dbraw/zinc/45/25/97/355452597.db2.gz WINSMBYKXFROEI-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCN1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)CC1=O ZINC000335796393 355452600 /nfs/dbraw/zinc/45/26/00/355452600.db2.gz WINSMBYKXFROEI-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCc1cc[nH+]cc1NCc1ncnn1C ZINC000639293585 355534498 /nfs/dbraw/zinc/53/44/98/355534498.db2.gz DYSGFYCIQJPALS-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO Cc1cc(N2CCO[C@@H](C(C)C)C2)nc[nH+]1 ZINC000349866314 355512932 /nfs/dbraw/zinc/51/29/32/355512932.db2.gz DWMSIRXFOKKCDF-LLVKDONJSA-N 1 2 221.304 1.646 20 0 BDADLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)C(F)F ZINC000349918292 355526457 /nfs/dbraw/zinc/52/64/57/355526457.db2.gz CZHXAVLQHUJAKX-UHFFFAOYSA-N 1 2 217.219 1.317 20 0 BDADLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)C(F)F ZINC000349918292 355526458 /nfs/dbraw/zinc/52/64/58/355526458.db2.gz CZHXAVLQHUJAKX-UHFFFAOYSA-N 1 2 217.219 1.317 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCNC(=O)C2)c(C)[nH+]1 ZINC000335840544 355583672 /nfs/dbraw/zinc/58/36/72/355583672.db2.gz TYNFXNVQRWMPQK-SNVBAGLBSA-N 1 2 247.298 1.163 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccn(C)c1 ZINC000335841735 355586816 /nfs/dbraw/zinc/58/68/16/355586816.db2.gz BWAGZGOWBGDQCQ-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@@]23CCOC3)cc[nH+]1 ZINC000335844053 355587748 /nfs/dbraw/zinc/58/77/48/355587748.db2.gz KCRVCVDDZUGQJQ-DGCLKSJQSA-N 1 2 232.283 1.177 20 0 BDADLO CCC(C)(C)CC[N@@H+]1CCOC[C@@H]1C(=O)OC ZINC000350229989 355653778 /nfs/dbraw/zinc/65/37/78/355653778.db2.gz ZNRMFJPBSKIZNN-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCC(C)(C)CC[N@H+]1CCOC[C@@H]1C(=O)OC ZINC000350229989 355653783 /nfs/dbraw/zinc/65/37/83/355653783.db2.gz ZNRMFJPBSKIZNN-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccnc(C)n1 ZINC000350242709 355654788 /nfs/dbraw/zinc/65/47/88/355654788.db2.gz UQTNLTOFSZZTAF-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccnc(C)n1 ZINC000350242709 355654792 /nfs/dbraw/zinc/65/47/92/355654792.db2.gz UQTNLTOFSZZTAF-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO O=C(NCC1CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335866349 355631374 /nfs/dbraw/zinc/63/13/74/355631374.db2.gz VDUSTBCVWJLEEC-VIFPVBQESA-N 1 2 219.288 1.356 20 0 BDADLO O=C(NCC1CC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335866349 355631378 /nfs/dbraw/zinc/63/13/78/355631378.db2.gz VDUSTBCVWJLEEC-VIFPVBQESA-N 1 2 219.288 1.356 20 0 BDADLO CO[C@@](C)(c1noc(C[NH+](C)C)n1)C1CC1 ZINC000350428061 355704254 /nfs/dbraw/zinc/70/42/54/355704254.db2.gz HZWNETOVLWSBPQ-LLVKDONJSA-N 1 2 225.292 1.403 20 0 BDADLO COc1cc(C[NH2+]Cc2ccccn2)on1 ZINC000639324570 355719097 /nfs/dbraw/zinc/71/90/97/355719097.db2.gz IKCUNIMHZWUWDS-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO COc1cc(C[NH2+]Cc2ccc(C)o2)on1 ZINC000639324647 355719764 /nfs/dbraw/zinc/71/97/64/355719764.db2.gz KVSSJDDEDKYKDL-UHFFFAOYSA-N 1 2 222.244 1.874 20 0 BDADLO COc1cc(C[NH2+]Cc2occc2C)on1 ZINC000639324730 355723036 /nfs/dbraw/zinc/72/30/36/355723036.db2.gz OIDXDXJNAPSKAI-UHFFFAOYSA-N 1 2 222.244 1.874 20 0 BDADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ncccn1 ZINC000330131235 181205603 /nfs/dbraw/zinc/20/56/03/181205603.db2.gz PNMZWFSICBBKNM-FOGDFJRCSA-N 1 2 246.314 1.612 20 0 BDADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ncccn1 ZINC000330131235 181205604 /nfs/dbraw/zinc/20/56/04/181205604.db2.gz PNMZWFSICBBKNM-FOGDFJRCSA-N 1 2 246.314 1.612 20 0 BDADLO Cc1cc(NC(=O)Cc2cncs2)cc[nH+]1 ZINC000335884666 355674939 /nfs/dbraw/zinc/67/49/39/355674939.db2.gz NWXLBRZIWGFXPI-UHFFFAOYSA-N 1 2 233.296 1.450 20 0 BDADLO COc1c(C)cccc1C[NH2+]Cc1ncnn1C ZINC000639313026 355684542 /nfs/dbraw/zinc/68/45/42/355684542.db2.gz QMARLFMTYCLCBP-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000350629070 355734726 /nfs/dbraw/zinc/73/47/26/355734726.db2.gz LHRLTZRBBDDJIN-SDDRHHMPSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000350629070 355734730 /nfs/dbraw/zinc/73/47/30/355734730.db2.gz LHRLTZRBBDDJIN-SDDRHHMPSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@](C)(C[N@H+](C)Cc1noc(C)n1)OC ZINC000639332879 355759391 /nfs/dbraw/zinc/75/93/91/355759391.db2.gz PYSSWUQLWUNHPQ-LLVKDONJSA-N 1 2 227.308 1.625 20 0 BDADLO CC[C@](C)(C[N@@H+](C)Cc1noc(C)n1)OC ZINC000639332879 355759395 /nfs/dbraw/zinc/75/93/95/355759395.db2.gz PYSSWUQLWUNHPQ-LLVKDONJSA-N 1 2 227.308 1.625 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cc(OC)no2)cn1 ZINC000639326815 355732360 /nfs/dbraw/zinc/73/23/60/355732360.db2.gz UXVAELTYTNKKNI-UHFFFAOYSA-N 1 2 248.286 1.325 20 0 BDADLO COc1cc(C[NH2+]Cc2ccncc2F)on1 ZINC000639326796 355732410 /nfs/dbraw/zinc/73/24/10/355732410.db2.gz USOUPAABWRWDKW-UHFFFAOYSA-N 1 2 237.234 1.507 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000608497747 355824409 /nfs/dbraw/zinc/82/44/09/355824409.db2.gz ZBRSXZIXLFCIAJ-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000608497747 355824412 /nfs/dbraw/zinc/82/44/12/355824412.db2.gz ZBRSXZIXLFCIAJ-HTQZYQBOSA-N 1 2 227.226 1.284 20 0 BDADLO O=c1ccc(C[N@@H+]2CCCc3[nH]ncc3C2)c[nH]1 ZINC000639339498 355780763 /nfs/dbraw/zinc/78/07/63/355780763.db2.gz IFLUHMNESFRVNT-UHFFFAOYSA-N 1 2 244.298 1.459 20 0 BDADLO O=c1ccc(C[N@H+]2CCCc3[nH]ncc3C2)c[nH]1 ZINC000639339498 355780764 /nfs/dbraw/zinc/78/07/64/355780764.db2.gz IFLUHMNESFRVNT-UHFFFAOYSA-N 1 2 244.298 1.459 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ncc(C)o1 ZINC000639349740 355790615 /nfs/dbraw/zinc/79/06/15/355790615.db2.gz RKIVLEBEXVFTHN-KOLCDFICSA-N 1 2 210.277 1.640 20 0 BDADLO Nc1ccnc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000359990999 181210831 /nfs/dbraw/zinc/21/08/31/181210831.db2.gz CYAAHMKSPAFCIR-GFCCVEGCSA-N 1 2 240.310 1.836 20 0 BDADLO Nc1ccnc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000359990999 181210833 /nfs/dbraw/zinc/21/08/33/181210833.db2.gz CYAAHMKSPAFCIR-GFCCVEGCSA-N 1 2 240.310 1.836 20 0 BDADLO Cc1cnc(C[NH2+][C@@](C)(CO)c2ccccc2)o1 ZINC000608497180 355823580 /nfs/dbraw/zinc/82/35/80/355823580.db2.gz RWAGZNAVPBORNS-AWEZNQCLSA-N 1 2 246.310 1.980 20 0 BDADLO CC[C@H](COC)Nc1c[nH+]cc(N(C)C)c1 ZINC000639365125 355837431 /nfs/dbraw/zinc/83/74/31/355837431.db2.gz MPYQEUKAUCRCEU-SNVBAGLBSA-N 1 2 223.320 1.985 20 0 BDADLO COC[C@H](Nc1c[nH+]cc(N(C)C)c1)C1CC1 ZINC000639365945 355841600 /nfs/dbraw/zinc/84/16/00/355841600.db2.gz SVWCJVMBSXDLKK-ZDUSSCGKSA-N 1 2 235.331 1.985 20 0 BDADLO CC[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623254891 355856926 /nfs/dbraw/zinc/85/69/26/355856926.db2.gz NRIRWWHOMZWPND-NSHDSACASA-N 1 2 223.320 1.920 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+]CC1=CCCOC1 ZINC000191887493 355861403 /nfs/dbraw/zinc/86/14/03/355861403.db2.gz AVZVMVKMYUQMRA-LBPRGKRZSA-N 1 2 241.331 1.510 20 0 BDADLO COc1ccc(F)c(C[NH2+]C2(C)COC2)c1 ZINC000639380336 355916887 /nfs/dbraw/zinc/91/68/87/355916887.db2.gz DRIFREIINFDWJZ-UHFFFAOYSA-N 1 2 225.263 1.713 20 0 BDADLO CC1([NH2+]Cc2cc(F)c(F)cc2F)COC1 ZINC000639381134 355918109 /nfs/dbraw/zinc/91/81/09/355918109.db2.gz QGIGLVORORUCEE-UHFFFAOYSA-N 1 2 231.217 1.982 20 0 BDADLO CCC[N@H+](CC)Cc1noc(CCOC)n1 ZINC000351443262 355991975 /nfs/dbraw/zinc/99/19/75/355991975.db2.gz MIRLJKKYLFFLPC-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCC[N@@H+](CC)Cc1noc(CCOC)n1 ZINC000351443262 355991979 /nfs/dbraw/zinc/99/19/79/355991979.db2.gz MIRLJKKYLFFLPC-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351491923 356000745 /nfs/dbraw/zinc/00/07/45/356000745.db2.gz KQWYWKLVRPBVNJ-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351491923 356000749 /nfs/dbraw/zinc/00/07/49/356000749.db2.gz KQWYWKLVRPBVNJ-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCC[C@@H](F)C2)C1 ZINC000583640747 355946987 /nfs/dbraw/zinc/94/69/87/355946987.db2.gz UMBOQFMZGGRYHU-SNVBAGLBSA-N 1 2 228.311 1.289 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351153030 355954770 /nfs/dbraw/zinc/95/47/70/355954770.db2.gz ZIUXZGGTBPIGEH-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351153030 355954774 /nfs/dbraw/zinc/95/47/74/355954774.db2.gz ZIUXZGGTBPIGEH-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000351222099 355963113 /nfs/dbraw/zinc/96/31/13/355963113.db2.gz GJFWMUWOYOQNPG-JTQLQIEISA-N 1 2 237.303 1.165 20 0 BDADLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000351222099 355963114 /nfs/dbraw/zinc/96/31/14/355963114.db2.gz GJFWMUWOYOQNPG-JTQLQIEISA-N 1 2 237.303 1.165 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)[C@H](O)C2)[nH+]1 ZINC000351505035 356005050 /nfs/dbraw/zinc/00/50/50/356005050.db2.gz LLZREJZLVBPBJA-GMSGAONNSA-N 1 2 232.287 1.083 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)[C@H](O)C2)[nH+]1 ZINC000351505037 356005086 /nfs/dbraw/zinc/00/50/86/356005086.db2.gz LLZREJZLVBPBJA-OIBJUYFYSA-N 1 2 232.287 1.083 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1conc1C ZINC000351685844 356056977 /nfs/dbraw/zinc/05/69/77/356056977.db2.gz GMYPNWHMCSVLPZ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1conc1C ZINC000351685844 356056980 /nfs/dbraw/zinc/05/69/80/356056980.db2.gz GMYPNWHMCSVLPZ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)n(C)n1 ZINC000418009762 191952240 /nfs/dbraw/zinc/95/22/40/191952240.db2.gz FTQJOOWZROOABR-QJPTWQEYSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)n(C)n1 ZINC000418009762 191952242 /nfs/dbraw/zinc/95/22/42/191952242.db2.gz FTQJOOWZROOABR-QJPTWQEYSA-N 1 2 237.347 1.726 20 0 BDADLO CC(C)(C)C(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257480 356026162 /nfs/dbraw/zinc/02/61/62/356026162.db2.gz KXDZHSCUYKLAFL-SNVBAGLBSA-N 1 2 249.358 1.996 20 0 BDADLO CC1(C)CC(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623257692 356027040 /nfs/dbraw/zinc/02/70/40/356027040.db2.gz RJSNVTMBRPZLLB-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO C[C@]1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C[C@H]2C[C@H]2C1 ZINC000623257801 356028065 /nfs/dbraw/zinc/02/80/65/356028065.db2.gz VLQHAGIVXKGTFQ-BBGACYKPSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H](C[N@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000639398911 356118724 /nfs/dbraw/zinc/11/87/24/356118724.db2.gz MQVRELRSPOXXEH-SECBINFHSA-N 1 2 225.340 1.324 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000639398911 356118727 /nfs/dbraw/zinc/11/87/27/356118727.db2.gz MQVRELRSPOXXEH-SECBINFHSA-N 1 2 225.340 1.324 20 0 BDADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ns1 ZINC000623260576 356118830 /nfs/dbraw/zinc/11/88/30/356118830.db2.gz IUQOBFJYQWFMKJ-QMMMGPOBSA-N 1 2 248.311 1.003 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000351711337 356067259 /nfs/dbraw/zinc/06/72/59/356067259.db2.gz HTAJBWBADXRRGY-LSJOCFKGSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000351711337 356067262 /nfs/dbraw/zinc/06/72/62/356067262.db2.gz HTAJBWBADXRRGY-LSJOCFKGSA-N 1 2 239.319 1.532 20 0 BDADLO COc1nccnc1C[NH+]1CC(C)(C)C1 ZINC000639393822 356074846 /nfs/dbraw/zinc/07/48/46/356074846.db2.gz UBQKVFZSUXKQID-UHFFFAOYSA-N 1 2 207.277 1.327 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259315 356083000 /nfs/dbraw/zinc/08/30/00/356083000.db2.gz YOHQXMNQIOPMLN-SECBINFHSA-N 1 2 244.298 1.128 20 0 BDADLO CC1(C)CC[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262114 356162293 /nfs/dbraw/zinc/16/22/93/356162293.db2.gz OPVCPZDGUJHNDT-QWRGUYRKSA-N 1 2 247.342 1.750 20 0 BDADLO COCCCCNC(=O)CCCn1cc[nH+]c1 ZINC000623261119 356142520 /nfs/dbraw/zinc/14/25/20/356142520.db2.gz UHCGRLFSXTWAKN-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337661559 181252035 /nfs/dbraw/zinc/25/20/35/181252035.db2.gz LSTZBWPVTIAVSS-JTQLQIEISA-N 1 2 248.330 1.478 20 0 BDADLO CC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000639432873 356211950 /nfs/dbraw/zinc/21/19/50/356211950.db2.gz OEYFBKOQZQYUDJ-UHFFFAOYSA-N 1 2 238.356 1.455 20 0 BDADLO CC1(C)C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000332644002 356225569 /nfs/dbraw/zinc/22/55/69/356225569.db2.gz JQOKITPAVBCNKI-ZCFIWIBFSA-N 1 2 247.245 1.210 20 0 BDADLO CC1(C)C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000332644002 356225571 /nfs/dbraw/zinc/22/55/71/356225571.db2.gz JQOKITPAVBCNKI-ZCFIWIBFSA-N 1 2 247.245 1.210 20 0 BDADLO CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623264935 356229952 /nfs/dbraw/zinc/22/99/52/356229952.db2.gz XEAZITFZMDJYEC-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1=CCCC1 ZINC000623264963 356230947 /nfs/dbraw/zinc/23/09/47/356230947.db2.gz XURHVOGIEKMMRC-SNVBAGLBSA-N 1 2 217.272 1.034 20 0 BDADLO CC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000639449957 356233891 /nfs/dbraw/zinc/23/38/91/356233891.db2.gz FGOITPIJVFSUTJ-UHFFFAOYSA-N 1 2 238.253 1.145 20 0 BDADLO CC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000639449957 356233895 /nfs/dbraw/zinc/23/38/95/356233895.db2.gz FGOITPIJVFSUTJ-UHFFFAOYSA-N 1 2 238.253 1.145 20 0 BDADLO Cc1nocc1C[N@H+]1CCN(C)CC[C@@H]1C ZINC000336039922 356249429 /nfs/dbraw/zinc/24/94/29/356249429.db2.gz KLOTZIISVIHSHI-JTQLQIEISA-N 1 2 223.320 1.509 20 0 BDADLO Cc1nocc1C[N@@H+]1CCN(C)CC[C@@H]1C ZINC000336039922 356249432 /nfs/dbraw/zinc/24/94/32/356249432.db2.gz KLOTZIISVIHSHI-JTQLQIEISA-N 1 2 223.320 1.509 20 0 BDADLO COCCC[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639461789 356250245 /nfs/dbraw/zinc/25/02/45/356250245.db2.gz WEEMOZFCYTTZLT-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639461789 356250248 /nfs/dbraw/zinc/25/02/48/356250248.db2.gz WEEMOZFCYTTZLT-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(CC(N)=O)CC1 ZINC000639453644 356237843 /nfs/dbraw/zinc/23/78/43/356237843.db2.gz PPKXBQXNMCLQIF-UHFFFAOYSA-N 1 2 234.290 1.619 20 0 BDADLO C[N@@H+](CC(=O)Nc1ccccn1)C[C@@H]1CCCO1 ZINC000639454383 356238614 /nfs/dbraw/zinc/23/86/14/356238614.db2.gz SFOUMNPNTJXKDX-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[N@H+](CC(=O)Nc1ccccn1)C[C@@H]1CCCO1 ZINC000639454383 356238618 /nfs/dbraw/zinc/23/86/18/356238618.db2.gz SFOUMNPNTJXKDX-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@H]1CCc2ncnn21 ZINC000639461337 356245577 /nfs/dbraw/zinc/24/55/77/356245577.db2.gz SLWIFORCZQJAHO-SNVBAGLBSA-N 1 2 249.343 1.354 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@H]1CCc2ncnn21 ZINC000639461337 356245579 /nfs/dbraw/zinc/24/55/79/356245579.db2.gz SLWIFORCZQJAHO-SNVBAGLBSA-N 1 2 249.343 1.354 20 0 BDADLO CC[C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000617640187 356248655 /nfs/dbraw/zinc/24/86/55/356248655.db2.gz VFZCKVPEYHYSNP-VIFPVBQESA-N 1 2 223.320 1.813 20 0 BDADLO CC[C@H](C)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000617640187 356248660 /nfs/dbraw/zinc/24/86/60/356248660.db2.gz VFZCKVPEYHYSNP-VIFPVBQESA-N 1 2 223.320 1.813 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000336126586 134092970 /nfs/dbraw/zinc/09/29/70/134092970.db2.gz WEEPONHCCXZSSH-SECBINFHSA-N 1 2 236.315 1.745 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000336126586 134092971 /nfs/dbraw/zinc/09/29/71/134092971.db2.gz WEEPONHCCXZSSH-SECBINFHSA-N 1 2 236.315 1.745 20 0 BDADLO CC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000639486575 356302320 /nfs/dbraw/zinc/30/23/20/356302320.db2.gz SJKCRQDSNHSPLV-CQSZACIVSA-N 1 2 233.311 1.821 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000639486575 356302323 /nfs/dbraw/zinc/30/23/23/356302323.db2.gz SJKCRQDSNHSPLV-CQSZACIVSA-N 1 2 233.311 1.821 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C)CC1 ZINC000617731257 356303360 /nfs/dbraw/zinc/30/33/60/356303360.db2.gz XMDSUWOIOKFOSG-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C)CC1 ZINC000617731257 356303363 /nfs/dbraw/zinc/30/33/63/356303363.db2.gz XMDSUWOIOKFOSG-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617738631 356303729 /nfs/dbraw/zinc/30/37/29/356303729.db2.gz RINJSVNBLUTDGX-SRVKXCTJSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617738631 356303731 /nfs/dbraw/zinc/30/37/31/356303731.db2.gz RINJSVNBLUTDGX-SRVKXCTJSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000352354384 356328324 /nfs/dbraw/zinc/32/83/24/356328324.db2.gz KPIFYIFHZNBISI-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000352354384 356328327 /nfs/dbraw/zinc/32/83/27/356328327.db2.gz KPIFYIFHZNBISI-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000639501816 356328564 /nfs/dbraw/zinc/32/85/64/356328564.db2.gz YIVXHGNAHFDZBE-VIFPVBQESA-N 1 2 239.237 1.619 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000639501816 356328566 /nfs/dbraw/zinc/32/85/66/356328566.db2.gz YIVXHGNAHFDZBE-VIFPVBQESA-N 1 2 239.237 1.619 20 0 BDADLO Cc1conc1C(=O)NCCNc1cccc[nH+]1 ZINC000639493624 356315868 /nfs/dbraw/zinc/31/58/68/356315868.db2.gz PMNWRNTVSJASLL-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639512099 356341640 /nfs/dbraw/zinc/34/16/40/356341640.db2.gz VAPZCCHZZNOTDK-JTQLQIEISA-N 1 2 237.303 1.243 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639512099 356341644 /nfs/dbraw/zinc/34/16/44/356341644.db2.gz VAPZCCHZZNOTDK-JTQLQIEISA-N 1 2 237.303 1.243 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000639515731 356352628 /nfs/dbraw/zinc/35/26/28/356352628.db2.gz UZWLEOZLRYUUKW-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000639515731 356352629 /nfs/dbraw/zinc/35/26/29/356352629.db2.gz UZWLEOZLRYUUKW-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000639519892 356364261 /nfs/dbraw/zinc/36/42/61/356364261.db2.gz WQBXBGXYJOXIEM-SECBINFHSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1[nH+]c2ccc(F)cc2n1C ZINC000336132160 134094833 /nfs/dbraw/zinc/09/48/33/134094833.db2.gz BFQKYZVADHHEDW-SCZZXKLOSA-N 1 2 249.289 1.672 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(CC2CC2)no1 ZINC000639503764 356330230 /nfs/dbraw/zinc/33/02/30/356330230.db2.gz IMWDOTCKFWNDHT-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(CC2CC2)no1 ZINC000639503764 356330234 /nfs/dbraw/zinc/33/02/34/356330234.db2.gz IMWDOTCKFWNDHT-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H](CO)C1 ZINC000336133146 134095070 /nfs/dbraw/zinc/09/50/70/134095070.db2.gz PYGHPRYVVPYLKR-VIFPVBQESA-N 1 2 249.289 1.531 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CCCCO2)no1 ZINC000042132041 356413498 /nfs/dbraw/zinc/41/34/98/356413498.db2.gz SKCSSCRNYUBVGG-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CCCCO2)no1 ZINC000042132041 356413501 /nfs/dbraw/zinc/41/35/01/356413501.db2.gz SKCSSCRNYUBVGG-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO c1cc(C[NH2+]Cc2cnn[nH]2)n(CC2CCC2)n1 ZINC000631180539 356452696 /nfs/dbraw/zinc/45/26/96/356452696.db2.gz SBNJXKROPKBHOZ-UHFFFAOYSA-N 1 2 246.318 1.091 20 0 BDADLO CC(C)c1nc(N2C[C@H](O)CC[C@H]2C)cc[nH+]1 ZINC000420636200 192252168 /nfs/dbraw/zinc/25/21/68/192252168.db2.gz MNJDJYDRHYQOSZ-GHMZBOCLSA-N 1 2 235.331 1.950 20 0 BDADLO CC[C@H]1C[N@H+](CC(F)(F)CC)C[C@@H]1O ZINC000639556681 356460393 /nfs/dbraw/zinc/46/03/93/356460393.db2.gz XLVGCYKZSGQSSS-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H]1C[N@@H+](CC(F)(F)CC)C[C@@H]1O ZINC000639556681 356460397 /nfs/dbraw/zinc/46/03/97/356460397.db2.gz XLVGCYKZSGQSSS-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO FC1=CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639558502 356463559 /nfs/dbraw/zinc/46/35/59/356463559.db2.gz FLXVDSZEMWDTHQ-JTQLQIEISA-N 1 2 222.267 1.325 20 0 BDADLO FC1=CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639558502 356463560 /nfs/dbraw/zinc/46/35/60/356463560.db2.gz FLXVDSZEMWDTHQ-JTQLQIEISA-N 1 2 222.267 1.325 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000639551047 356433975 /nfs/dbraw/zinc/43/39/75/356433975.db2.gz GGEIXYNXUPDHKR-WPRPVWTQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(C2CCC2)no1 ZINC000639551047 356433978 /nfs/dbraw/zinc/43/39/78/356433978.db2.gz GGEIXYNXUPDHKR-WPRPVWTQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000336160910 134111283 /nfs/dbraw/zinc/11/12/83/134111283.db2.gz IQBCFCZQRIFMNA-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(N[C@H]2COC(C)(C)C2)c(C#N)c[nH+]1 ZINC000399373302 356477262 /nfs/dbraw/zinc/47/72/62/356477262.db2.gz ALQOTDZEOWTMRS-LLVKDONJSA-N 1 2 231.299 1.663 20 0 BDADLO CC[C@H](C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000420822110 192263111 /nfs/dbraw/zinc/26/31/11/192263111.db2.gz NWDKPRRFVXOTIZ-WDEREUQCSA-N 1 2 238.335 1.617 20 0 BDADLO O=C(C[N@H+]1CC=CCC1)Nc1ccccn1 ZINC000639572213 356496602 /nfs/dbraw/zinc/49/66/02/356496602.db2.gz OLXZIABXDBKYFB-UHFFFAOYSA-N 1 2 217.272 1.282 20 0 BDADLO O=C(C[N@@H+]1CC=CCC1)Nc1ccccn1 ZINC000639572213 356496603 /nfs/dbraw/zinc/49/66/03/356496603.db2.gz OLXZIABXDBKYFB-UHFFFAOYSA-N 1 2 217.272 1.282 20 0 BDADLO C[N@H+](CC(=O)c1ccccc1F)C1CC(O)C1 ZINC000639583725 356505882 /nfs/dbraw/zinc/50/58/82/356505882.db2.gz PVRODEVHASNZAP-UHFFFAOYSA-N 1 2 237.274 1.464 20 0 BDADLO C[N@@H+](CC(=O)c1ccccc1F)C1CC(O)C1 ZINC000639583725 356505883 /nfs/dbraw/zinc/50/58/83/356505883.db2.gz PVRODEVHASNZAP-UHFFFAOYSA-N 1 2 237.274 1.464 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)CC(C)(C)O ZINC000420910119 192270320 /nfs/dbraw/zinc/27/03/20/192270320.db2.gz DTEXVQQIFQWYQC-UHFFFAOYSA-N 1 2 245.754 1.666 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)CC(C)(C)O ZINC000420910119 192270323 /nfs/dbraw/zinc/27/03/23/192270323.db2.gz DTEXVQQIFQWYQC-UHFFFAOYSA-N 1 2 245.754 1.666 20 0 BDADLO C[C@@H]1C[C@H](c2nc(Cc3c[nH+]cn3C)no2)CO1 ZINC000350196611 366261723 /nfs/dbraw/zinc/26/17/23/366261723.db2.gz KTBQYTMOZSEESL-BDAKNGLRSA-N 1 2 248.286 1.286 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)CCCOC ZINC000639603793 356524527 /nfs/dbraw/zinc/52/45/27/356524527.db2.gz VLTRMOAVLZZGRO-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)CCCOC ZINC000639603793 356524529 /nfs/dbraw/zinc/52/45/29/356524529.db2.gz VLTRMOAVLZZGRO-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO CC[C@H](SCC[NH+]1CCOCC1)C(=O)OC ZINC000179478414 366263494 /nfs/dbraw/zinc/26/34/94/366263494.db2.gz UQUGJZZLTZMTLC-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCc1nnc(C2CC[NH+](CC(C)=O)CC2)[nH]1 ZINC000639608718 356530788 /nfs/dbraw/zinc/53/07/88/356530788.db2.gz MVCBBUJQXOXGJS-UHFFFAOYSA-N 1 2 236.319 1.136 20 0 BDADLO CCc1n[nH]c(C2CC[NH+](CC(C)=O)CC2)n1 ZINC000639608718 356530793 /nfs/dbraw/zinc/53/07/93/356530793.db2.gz MVCBBUJQXOXGJS-UHFFFAOYSA-N 1 2 236.319 1.136 20 0 BDADLO CCc1nc(C2CC[NH+](CC(C)=O)CC2)n[nH]1 ZINC000639608718 356530797 /nfs/dbraw/zinc/53/07/97/356530797.db2.gz MVCBBUJQXOXGJS-UHFFFAOYSA-N 1 2 236.319 1.136 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](CC)O1 ZINC000420962629 192284041 /nfs/dbraw/zinc/28/40/41/192284041.db2.gz UKIWGCUDAFQKCD-QWRGUYRKSA-N 1 2 223.320 1.799 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000639632525 356546304 /nfs/dbraw/zinc/54/63/04/356546304.db2.gz YOUZWOHUDCWSNG-BDAKNGLRSA-N 1 2 239.237 1.211 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000639632525 356546308 /nfs/dbraw/zinc/54/63/08/356546308.db2.gz YOUZWOHUDCWSNG-BDAKNGLRSA-N 1 2 239.237 1.211 20 0 BDADLO CCCCOCC[NH2+][C@@H](CC)C(=O)OC ZINC000168321292 535313393 /nfs/dbraw/zinc/31/33/93/535313393.db2.gz GJYCXAKDGHUZFG-JTQLQIEISA-N 1 2 217.309 1.344 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1ccccn1 ZINC000639618491 356535968 /nfs/dbraw/zinc/53/59/68/356535968.db2.gz MWOBSNGWCZYKKA-NXEZZACHSA-N 1 2 219.288 1.503 20 0 BDADLO Cn1c[nH+]cc1Cc1nc([C@@H]2CCCOC2)no1 ZINC000350446821 366278735 /nfs/dbraw/zinc/27/87/35/366278735.db2.gz GVNAEXKBZVZMIQ-SECBINFHSA-N 1 2 248.286 1.288 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCn2ncnc2C1 ZINC000352259840 134123678 /nfs/dbraw/zinc/12/36/78/134123678.db2.gz PGYFGSSJCIRANC-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cnccc1C[N@H+]1CCn2ncnc2C1 ZINC000352259840 134123679 /nfs/dbraw/zinc/12/36/79/134123679.db2.gz PGYFGSSJCIRANC-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000623296271 356542342 /nfs/dbraw/zinc/54/23/42/356542342.db2.gz FQZGVGOEHLOSCX-NOOOWODRSA-N 1 2 245.326 1.360 20 0 BDADLO O=C(C[N@@H+]1CC[C@@]12CCOC2)Nc1ccccc1 ZINC000421011390 192300396 /nfs/dbraw/zinc/30/03/96/192300396.db2.gz DMDGYMKZMYJKQU-AWEZNQCLSA-N 1 2 246.310 1.490 20 0 BDADLO O=C(C[N@H+]1CC[C@@]12CCOC2)Nc1ccccc1 ZINC000421011390 192300398 /nfs/dbraw/zinc/30/03/98/192300398.db2.gz DMDGYMKZMYJKQU-AWEZNQCLSA-N 1 2 246.310 1.490 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623298190 356551513 /nfs/dbraw/zinc/55/15/13/356551513.db2.gz XRSUMMSOCSHLHY-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC12CC2 ZINC000623298404 356554456 /nfs/dbraw/zinc/55/44/56/356554456.db2.gz AJUKQQMKBVXDLV-MWLCHTKSSA-N 1 2 231.299 1.114 20 0 BDADLO CCCc1cc(C(=O)Nc2cc[nH+]cc2O)no1 ZINC000449850908 202045636 /nfs/dbraw/zinc/04/56/36/202045636.db2.gz ONIDJLIWVOTUJP-UHFFFAOYSA-N 1 2 247.254 1.402 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299718 356566306 /nfs/dbraw/zinc/56/63/06/356566306.db2.gz BKIYDSFSOIZTCZ-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccn2)[C@H]1C ZINC000639656676 356572507 /nfs/dbraw/zinc/57/25/07/356572507.db2.gz RVRLUFNMBUKHMY-ZJUUUORDSA-N 1 2 219.288 1.360 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccn2)[C@H]1C ZINC000639656676 356572510 /nfs/dbraw/zinc/57/25/10/356572510.db2.gz RVRLUFNMBUKHMY-ZJUUUORDSA-N 1 2 219.288 1.360 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccccn1 ZINC000122678555 363490418 /nfs/dbraw/zinc/49/04/18/363490418.db2.gz GLVHBRMARRNDRJ-UHFFFAOYSA-N 1 2 230.271 1.697 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]CC(F)(F)CC ZINC000639665800 356580451 /nfs/dbraw/zinc/58/04/51/356580451.db2.gz JENSKCNNFDWOTA-RKDXNWHRSA-N 1 2 223.263 1.425 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000639666698 356581474 /nfs/dbraw/zinc/58/14/74/356581474.db2.gz UNVOOMNVJOHPCI-QMMMGPOBSA-N 1 2 246.257 1.235 20 0 BDADLO C[C@H](O)C[N@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000639666698 356581475 /nfs/dbraw/zinc/58/14/75/356581475.db2.gz UNVOOMNVJOHPCI-QMMMGPOBSA-N 1 2 246.257 1.235 20 0 BDADLO CC1(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623302381 356582527 /nfs/dbraw/zinc/58/25/27/356582527.db2.gz FEEKBSGVCXDLOI-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1nccs1 ZINC000623302744 356582980 /nfs/dbraw/zinc/58/29/80/356582980.db2.gz OGQYHYCELWXONO-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1=CCCC1 ZINC000623307992 356613959 /nfs/dbraw/zinc/61/39/59/356613959.db2.gz SFUSRUIFSFIGBH-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623307964 356614998 /nfs/dbraw/zinc/61/49/98/356614998.db2.gz ROSQXDBBGMPNRU-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO CC(=O)C[NH2+][C@@H](CCO)c1ccccc1F ZINC000639693121 356602411 /nfs/dbraw/zinc/60/24/11/356602411.db2.gz JDSRBZFIMBBIKM-LBPRGKRZSA-N 1 2 225.263 1.428 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C)C1O ZINC000630091560 363508716 /nfs/dbraw/zinc/50/87/16/363508716.db2.gz AWARFENVOFARMX-UWVGGRQHSA-N 1 2 236.315 1.027 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639723903 356620799 /nfs/dbraw/zinc/62/07/99/356620799.db2.gz YGKZNBVOYKIDSG-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639723903 356620803 /nfs/dbraw/zinc/62/08/03/356620803.db2.gz YGKZNBVOYKIDSG-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO CSCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000609875772 356621422 /nfs/dbraw/zinc/62/14/22/356621422.db2.gz ANYPJIYGGKHYPP-UHFFFAOYSA-N 1 2 239.344 1.410 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCn2nncc2C1 ZINC000639750557 356644292 /nfs/dbraw/zinc/64/42/92/356644292.db2.gz UHVBZCIUPIWOPW-UHFFFAOYSA-N 1 2 216.235 1.139 20 0 BDADLO CCC(F)(F)C[N@H+]1CCn2nncc2C1 ZINC000639750557 356644294 /nfs/dbraw/zinc/64/42/94/356644294.db2.gz UHVBZCIUPIWOPW-UHFFFAOYSA-N 1 2 216.235 1.139 20 0 BDADLO c1n[nH]c(=NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000450243200 202106732 /nfs/dbraw/zinc/10/67/32/202106732.db2.gz BYUSATZPUVJNRP-UHFFFAOYSA-N 1 2 249.343 1.147 20 0 BDADLO c1n[nH]c(=NC2CC[NH+](CC3CC3)CC2)s1 ZINC000450265964 202112825 /nfs/dbraw/zinc/11/28/25/202112825.db2.gz MNOZZVQSANRAHP-UHFFFAOYSA-N 1 2 238.360 1.246 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@]1(C)CO ZINC000630095251 363547891 /nfs/dbraw/zinc/54/78/91/363547891.db2.gz WTPGMLAZJREBMO-ZWNOBZJWSA-N 1 2 236.315 1.029 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000450331554 202131392 /nfs/dbraw/zinc/13/13/92/202131392.db2.gz BVMZOMNQDBEVLN-QWRGUYRKSA-N 1 2 239.319 1.676 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000450331554 202131395 /nfs/dbraw/zinc/13/13/95/202131395.db2.gz BVMZOMNQDBEVLN-QWRGUYRKSA-N 1 2 239.319 1.676 20 0 BDADLO Cn1cc[nH+]c1CNc1ncnc2ncccc21 ZINC000041472985 358510334 /nfs/dbraw/zinc/51/03/34/358510334.db2.gz JROJRDQBKBOQTP-UHFFFAOYSA-N 1 2 240.270 1.370 20 0 BDADLO CCC[C@@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC000450341471 202134550 /nfs/dbraw/zinc/13/45/50/202134550.db2.gz KBODVGQUELJDKA-LLVKDONJSA-N 1 2 229.320 1.175 20 0 BDADLO CCC[C@@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC000450341471 202134554 /nfs/dbraw/zinc/13/45/54/202134554.db2.gz KBODVGQUELJDKA-LLVKDONJSA-N 1 2 229.320 1.175 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOC)C(=O)OC(C)(C)C ZINC000179848519 366323392 /nfs/dbraw/zinc/32/33/92/366323392.db2.gz REIOIUASJFALIV-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@H]2CCCO2)no1 ZINC000350649272 366315703 /nfs/dbraw/zinc/31/57/03/366315703.db2.gz BZJKPRHNCLTXPI-SECBINFHSA-N 1 2 225.292 1.763 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@H]2CCCO2)no1 ZINC000350649272 366315707 /nfs/dbraw/zinc/31/57/07/366315707.db2.gz BZJKPRHNCLTXPI-SECBINFHSA-N 1 2 225.292 1.763 20 0 BDADLO OCC1([C@H]([NH2+]CC(F)F)[C@H]2CCCO2)CCC1 ZINC000639763128 356688891 /nfs/dbraw/zinc/68/88/91/356688891.db2.gz BCHREOUVDRQKHF-MWLCHTKSSA-N 1 2 249.301 1.551 20 0 BDADLO CCC(=O)CCC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000450403818 202156840 /nfs/dbraw/zinc/15/68/40/202156840.db2.gz MKOVPLNAOSXMFR-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CCC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000450403818 202156842 /nfs/dbraw/zinc/15/68/42/202156842.db2.gz MKOVPLNAOSXMFR-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n[nH]1 ZINC000639776699 356722689 /nfs/dbraw/zinc/72/26/89/356722689.db2.gz DPXPKAZWJWCLPQ-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n[nH]1 ZINC000639776699 356722690 /nfs/dbraw/zinc/72/26/90/356722690.db2.gz DPXPKAZWJWCLPQ-NSHDSACASA-N 1 2 217.276 1.470 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639777876 356724106 /nfs/dbraw/zinc/72/41/06/356724106.db2.gz NHVMGHRIOYSLGS-SNVBAGLBSA-N 1 2 249.343 1.907 20 0 BDADLO Cc1nnsc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639777876 356724110 /nfs/dbraw/zinc/72/41/10/356724110.db2.gz NHVMGHRIOYSLGS-SNVBAGLBSA-N 1 2 249.343 1.907 20 0 BDADLO C[N@@H+]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1(C)C ZINC000623338623 356734282 /nfs/dbraw/zinc/73/42/82/356734282.db2.gz IXVAFBBAHJXIFG-GFCCVEGCSA-N 1 2 236.363 1.346 20 0 BDADLO C[N@H+]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1(C)C ZINC000623338623 356734284 /nfs/dbraw/zinc/73/42/84/356734284.db2.gz IXVAFBBAHJXIFG-GFCCVEGCSA-N 1 2 236.363 1.346 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc(CC2CC2)no1 ZINC000639783714 356735139 /nfs/dbraw/zinc/73/51/39/356735139.db2.gz LUGNUSBXXBXUGS-UHFFFAOYSA-N 1 2 247.302 1.377 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc(CC2CC2)no1 ZINC000639783714 356735142 /nfs/dbraw/zinc/73/51/42/356735142.db2.gz LUGNUSBXXBXUGS-UHFFFAOYSA-N 1 2 247.302 1.377 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C1CC1 ZINC000384737787 356737279 /nfs/dbraw/zinc/73/72/79/356737279.db2.gz KVJDZBDCQUQTLO-YJFSRANCSA-N 1 2 227.304 1.094 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1ccns1 ZINC000639787036 356739260 /nfs/dbraw/zinc/73/92/60/356739260.db2.gz HTJBVOBECUNETH-UHFFFAOYSA-N 1 2 209.274 1.763 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1ccns1 ZINC000639787036 356739264 /nfs/dbraw/zinc/73/92/64/356739264.db2.gz HTJBVOBECUNETH-UHFFFAOYSA-N 1 2 209.274 1.763 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1ccns1 ZINC000639786422 356740021 /nfs/dbraw/zinc/74/00/21/356740021.db2.gz BQDDUWVUOWBOAN-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623345786 356752888 /nfs/dbraw/zinc/75/28/88/356752888.db2.gz TTZBOOJIXFQOIR-GXSJLCMTSA-N 1 2 235.331 1.669 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054344164 363567112 /nfs/dbraw/zinc/56/71/12/363567112.db2.gz MFCDDLAIMQLRGX-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054344164 363567116 /nfs/dbraw/zinc/56/71/16/363567116.db2.gz MFCDDLAIMQLRGX-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO CCCCOCC[N@@H+]1CCO[C@@H](OC)C1 ZINC000639832278 356816897 /nfs/dbraw/zinc/81/68/97/356816897.db2.gz FFFBWFGJCITQOO-LLVKDONJSA-N 1 2 217.309 1.108 20 0 BDADLO CCCCOCC[N@H+]1CCO[C@@H](OC)C1 ZINC000639832278 356816901 /nfs/dbraw/zinc/81/69/01/356816901.db2.gz FFFBWFGJCITQOO-LLVKDONJSA-N 1 2 217.309 1.108 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2C)CCO1 ZINC000639839595 356830560 /nfs/dbraw/zinc/83/05/60/356830560.db2.gz RXVDTVJOTQCLRB-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2C)CCO1 ZINC000639839595 356830562 /nfs/dbraw/zinc/83/05/62/356830562.db2.gz RXVDTVJOTQCLRB-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CCOCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000351675493 538705435 /nfs/dbraw/zinc/70/54/35/538705435.db2.gz QYYFQNAIYFUNNK-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CCOCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000351675493 538705443 /nfs/dbraw/zinc/70/54/43/538705443.db2.gz QYYFQNAIYFUNNK-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)C[C@H]1CCCO1 ZINC000358491681 356869445 /nfs/dbraw/zinc/86/94/45/356869445.db2.gz OPYOIKMPWIFXRG-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)C[C@H]1CCCO1 ZINC000358491681 356869447 /nfs/dbraw/zinc/86/94/47/356869447.db2.gz OPYOIKMPWIFXRG-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054347044 363569184 /nfs/dbraw/zinc/56/91/84/363569184.db2.gz BINWALWSXQTBFN-NWDGAFQWSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054347044 363569189 /nfs/dbraw/zinc/56/91/89/363569189.db2.gz BINWALWSXQTBFN-NWDGAFQWSA-N 1 2 240.347 1.012 20 0 BDADLO CCN(Cc1cn(C)nn1)Cc1[nH+]ccn1CC ZINC000359292037 356887273 /nfs/dbraw/zinc/88/72/73/356887273.db2.gz DDQRTNQOSHNJHK-UHFFFAOYSA-N 1 2 248.334 1.054 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1ncccn1 ZINC000639842939 356838446 /nfs/dbraw/zinc/83/84/46/356838446.db2.gz LNGNLZLKAJLPIU-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccnc1 ZINC000352134733 538716024 /nfs/dbraw/zinc/71/60/24/538716024.db2.gz KPHWLPCUKUWYOQ-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccnc1 ZINC000352134733 538716032 /nfs/dbraw/zinc/71/60/32/538716032.db2.gz KPHWLPCUKUWYOQ-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CC[N@H+](Cc1cn(C(C)C)nn1)[C@H]1CCOC1 ZINC000361237320 356920180 /nfs/dbraw/zinc/92/01/80/356920180.db2.gz OKEXOGJBUSJCCB-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CC[N@@H+](Cc1cn(C(C)C)nn1)[C@H]1CCOC1 ZINC000361237320 356920184 /nfs/dbraw/zinc/92/01/84/356920184.db2.gz OKEXOGJBUSJCCB-LBPRGKRZSA-N 1 2 238.335 1.470 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)C[C@H](C)OC ZINC000361565258 356933086 /nfs/dbraw/zinc/93/30/86/356933086.db2.gz ORERTJRROMNYFP-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)C[C@H](C)OC ZINC000361565258 356933094 /nfs/dbraw/zinc/93/30/94/356933094.db2.gz ORERTJRROMNYFP-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623392196 356940741 /nfs/dbraw/zinc/94/07/41/356940741.db2.gz ZLIPXFYBOXADOL-JTQLQIEISA-N 1 2 221.304 1.280 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)c(C#N)c[nH+]1 ZINC000399518824 356968525 /nfs/dbraw/zinc/96/85/25/356968525.db2.gz PXTOQTKMFKCQRG-HOSYDEDBSA-N 1 2 231.299 1.661 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000582273193 356990531 /nfs/dbraw/zinc/99/05/31/356990531.db2.gz CVPAVXYIFVRSKE-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO Cc1cccc(C)c1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639870496 357030069 /nfs/dbraw/zinc/03/00/69/357030069.db2.gz JYDZKQVVIJGXTN-AWEZNQCLSA-N 1 2 248.370 1.412 20 0 BDADLO CC[C@H](NC(=O)C12CC(C1)C2)c1[nH]cc[nH+]1 ZINC000626484297 357049328 /nfs/dbraw/zinc/04/93/28/357049328.db2.gz QDHKOVYXJIUCRN-XEVUQIKYSA-N 1 2 219.288 1.777 20 0 BDADLO CC[C@](C)([NH2+]CCC[C@@H](C)O)C(=O)OC ZINC000450659474 202213177 /nfs/dbraw/zinc/21/31/77/202213177.db2.gz QRBYNTJQUCAMFY-KOLCDFICSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CC1(C)COC1 ZINC000626468845 357005509 /nfs/dbraw/zinc/00/55/09/357005509.db2.gz YZGJZSWUEABMLL-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO C/C=C\CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000626469947 357007017 /nfs/dbraw/zinc/00/70/17/357007017.db2.gz SQOKBWCJKUJDAP-PLNGDYQASA-N 1 2 219.288 1.818 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC1(C)CC1 ZINC000355263468 538790745 /nfs/dbraw/zinc/79/07/45/538790745.db2.gz IJUQCXBZIOCRBV-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCc1c[nH+]cn1C ZINC000355255821 538792268 /nfs/dbraw/zinc/79/22/68/538792268.db2.gz QNONIGLLDVXGGQ-BDAKNGLRSA-N 1 2 207.277 1.082 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000582345239 357087002 /nfs/dbraw/zinc/08/70/02/357087002.db2.gz HZECRTSRDSMYIM-GXSJLCMTSA-N 1 2 221.304 1.421 20 0 BDADLO CC[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000354815137 538784796 /nfs/dbraw/zinc/78/47/96/538784796.db2.gz OHVVNYVSUIFUDF-CYBMUJFWSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000354815137 538784802 /nfs/dbraw/zinc/78/48/02/538784802.db2.gz OHVVNYVSUIFUDF-CYBMUJFWSA-N 1 2 235.331 1.991 20 0 BDADLO Cc1c[nH]c(=NCC[N@@H+]2CCO[C@H](C)C2)s1 ZINC000390477929 357095445 /nfs/dbraw/zinc/09/54/45/357095445.db2.gz LMMLDYCELZOHFC-SECBINFHSA-N 1 2 241.360 1.006 20 0 BDADLO Cc1c[nH]c(=NCC[N@H+]2CCO[C@H](C)C2)s1 ZINC000390477929 357095448 /nfs/dbraw/zinc/09/54/48/357095448.db2.gz LMMLDYCELZOHFC-SECBINFHSA-N 1 2 241.360 1.006 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC12CCC(CC1)C2 ZINC000582409028 357137119 /nfs/dbraw/zinc/13/71/19/357137119.db2.gz DCNYGVNGAVUQNN-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)c1ncn(C)n1 ZINC000392050985 357138376 /nfs/dbraw/zinc/13/83/76/357138376.db2.gz PCVIWPYXUJOMAF-QMMMGPOBSA-N 1 2 233.275 1.392 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000639883073 357146468 /nfs/dbraw/zinc/14/64/68/357146468.db2.gz BMKDIJTUVUUPBD-VHSXEESVSA-N 1 2 221.291 1.982 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000639883073 357146470 /nfs/dbraw/zinc/14/64/70/357146470.db2.gz BMKDIJTUVUUPBD-VHSXEESVSA-N 1 2 221.291 1.982 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(O)cc1F ZINC000355916384 538803990 /nfs/dbraw/zinc/80/39/90/538803990.db2.gz WBSFWSCYFOTQSB-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(O)cc1F ZINC000355916384 538803997 /nfs/dbraw/zinc/80/39/97/538803997.db2.gz WBSFWSCYFOTQSB-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC12CCCC2 ZINC000582439496 357160454 /nfs/dbraw/zinc/16/04/54/357160454.db2.gz PFHBXXVGZJJSOE-SNVBAGLBSA-N 1 2 233.315 1.791 20 0 BDADLO CNC(=O)CN(C)c1[nH+]c2ccccc2cc1C ZINC000582440834 357165767 /nfs/dbraw/zinc/16/57/67/357165767.db2.gz FFWDCXVNFHVIFX-UHFFFAOYSA-N 1 2 243.310 1.725 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2c[nH+]cn2C)o1 ZINC000356755124 538816386 /nfs/dbraw/zinc/81/63/86/538816386.db2.gz PKAVWCCZCTYLIN-UHFFFAOYSA-N 1 2 247.254 1.146 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOC(C)(C)C)o1 ZINC000393790759 357298988 /nfs/dbraw/zinc/29/89/88/357298988.db2.gz YPWSWXIISFHKHN-MRVPVSSYSA-N 1 2 227.308 1.844 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC2(C1)CCCO2 ZINC000628427446 357257380 /nfs/dbraw/zinc/25/73/80/357257380.db2.gz CIBUIDRBVSMLAT-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO COC(=O)CCCN(C)c1cc(C)[nH+]cn1 ZINC000050086294 357322071 /nfs/dbraw/zinc/32/20/71/357322071.db2.gz GMMKNGZXZKGNKB-UHFFFAOYSA-N 1 2 223.276 1.174 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H](CO)CC1 ZINC000584361393 357327500 /nfs/dbraw/zinc/32/75/00/357327500.db2.gz ONONCPZSWBIEIY-GFCCVEGCSA-N 1 2 235.331 1.692 20 0 BDADLO CCn1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cn1 ZINC000582614259 357353211 /nfs/dbraw/zinc/35/32/11/357353211.db2.gz LOCLOUJPQHXGIE-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO CCn1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cn1 ZINC000582614259 357353212 /nfs/dbraw/zinc/35/32/12/357353212.db2.gz LOCLOUJPQHXGIE-SECBINFHSA-N 1 2 247.302 1.443 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC1CC(O)C1 ZINC000582675782 357360858 /nfs/dbraw/zinc/36/08/58/357360858.db2.gz AAELMAWHDXVUGR-UHFFFAOYSA-N 1 2 221.304 1.088 20 0 BDADLO Cc1cnc(NCC[NH+]2CCOCC2)s1 ZINC000219711107 357387679 /nfs/dbraw/zinc/38/76/79/357387679.db2.gz VSIBKHGZAWNKOV-UHFFFAOYSA-N 1 2 227.333 1.196 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccoc1 ZINC000102408716 357388778 /nfs/dbraw/zinc/38/87/78/357388778.db2.gz NPNWNVQAADCYJN-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccoc1 ZINC000102408716 357388779 /nfs/dbraw/zinc/38/87/79/357388779.db2.gz NPNWNVQAADCYJN-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO CC(F)(F)C[NH2+][C@@H](CS(C)(=O)=O)C1CC1 ZINC000378849735 357395355 /nfs/dbraw/zinc/39/53/55/357395355.db2.gz DERTZMOWMPPPMX-QMMMGPOBSA-N 1 2 241.303 1.054 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613270421 357402478 /nfs/dbraw/zinc/40/24/78/357402478.db2.gz MEJRNZGDWCVHKU-MFKMUULPSA-N 1 2 247.342 1.772 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613270421 357402479 /nfs/dbraw/zinc/40/24/79/357402479.db2.gz MEJRNZGDWCVHKU-MFKMUULPSA-N 1 2 247.342 1.772 20 0 BDADLO O=C(Nc1ccccn1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639904535 357380919 /nfs/dbraw/zinc/38/09/19/357380919.db2.gz PWUZFGZEWNDZGJ-VIFPVBQESA-N 1 2 243.270 1.025 20 0 BDADLO C[N@H+](Cc1cc[nH+]c(N)c1)C1(C(=O)[O-])CCCC1 ZINC000583154540 357497919 /nfs/dbraw/zinc/49/79/19/357497919.db2.gz DNBBMQGVTNBKLC-UHFFFAOYSA-N 1 2 249.314 1.323 20 0 BDADLO C[N@@H+](Cc1cc[nH+]c(N)c1)C1(C(=O)[O-])CCCC1 ZINC000583154540 357497923 /nfs/dbraw/zinc/49/79/23/357497923.db2.gz DNBBMQGVTNBKLC-UHFFFAOYSA-N 1 2 249.314 1.323 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CO1 ZINC000583141406 357493394 /nfs/dbraw/zinc/49/33/94/357493394.db2.gz PRRPUPDFSMEMGA-QWRGUYRKSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CO1 ZINC000583141406 357493398 /nfs/dbraw/zinc/49/33/98/357493398.db2.gz PRRPUPDFSMEMGA-QWRGUYRKSA-N 1 2 248.330 1.666 20 0 BDADLO Cc1cc(NCCc2ccn(C)n2)nc[nH+]1 ZINC000230878080 357575884 /nfs/dbraw/zinc/57/58/84/357575884.db2.gz ZTRJRPYPVZXRFT-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cccc(F)c1 ZINC000189082083 357603288 /nfs/dbraw/zinc/60/32/88/357603288.db2.gz CDYXGXQTZADVFZ-JTQLQIEISA-N 1 2 236.290 1.536 20 0 BDADLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cccc(F)c1 ZINC000189082083 357603291 /nfs/dbraw/zinc/60/32/91/357603291.db2.gz CDYXGXQTZADVFZ-JTQLQIEISA-N 1 2 236.290 1.536 20 0 BDADLO CCOC[C@@H]([NH2+][C@H](C(=O)OC)C1CC1)C(C)C ZINC000232350546 357659457 /nfs/dbraw/zinc/65/94/57/357659457.db2.gz ZUAYAEFISOAVFO-NEPJUHHUSA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000583236008 357662964 /nfs/dbraw/zinc/66/29/64/357662964.db2.gz QWOZKIUGPNWSBQ-SNVBAGLBSA-N 1 2 233.311 1.553 20 0 BDADLO CCOC[C@@H]([NH2+][C@@H](C(=O)OC)C(C)C)C(C)C ZINC000189815035 357673397 /nfs/dbraw/zinc/67/33/97/357673397.db2.gz MZKHBUWMIYOJIF-VXGBXAGGSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497800 357710409 /nfs/dbraw/zinc/71/04/09/357710409.db2.gz VRGQAMGBTFWXEI-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)O1 ZINC000190497800 357710414 /nfs/dbraw/zinc/71/04/14/357710414.db2.gz VRGQAMGBTFWXEI-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000233699638 357732880 /nfs/dbraw/zinc/73/28/80/357732880.db2.gz RIULOIPGUNNMSY-INTQDDNPSA-N 1 2 227.304 1.095 20 0 BDADLO CN1CCC[N@H+](Cc2ccccc2F)CC1=O ZINC000191149523 357753717 /nfs/dbraw/zinc/75/37/17/357753717.db2.gz TXORVSVTGJNAEL-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO CN1CCC[N@@H+](Cc2ccccc2F)CC1=O ZINC000191149523 357753720 /nfs/dbraw/zinc/75/37/20/357753720.db2.gz TXORVSVTGJNAEL-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO CCN(C)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000191146658 357753824 /nfs/dbraw/zinc/75/38/24/357753824.db2.gz VSROGTRQMREADX-UHFFFAOYSA-N 1 2 235.331 1.370 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191259489 357759926 /nfs/dbraw/zinc/75/99/26/357759926.db2.gz SGSDZWRHWFYBKE-JTQLQIEISA-N 1 2 240.351 1.500 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191259489 357759929 /nfs/dbraw/zinc/75/99/29/357759929.db2.gz SGSDZWRHWFYBKE-JTQLQIEISA-N 1 2 240.351 1.500 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000234199063 357777570 /nfs/dbraw/zinc/77/75/70/357777570.db2.gz FSINLLAIBDERBH-UHFFFAOYSA-N 1 2 231.303 1.062 20 0 BDADLO CCC(CC)C[N@@H+]1CCS(=O)(=O)CC[C@@H]1C ZINC000192055601 357815745 /nfs/dbraw/zinc/81/57/45/357815745.db2.gz XOIJJJOCJBHDSX-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CCC(CC)C[N@H+]1CCS(=O)(=O)CC[C@@H]1C ZINC000192055601 357815749 /nfs/dbraw/zinc/81/57/49/357815749.db2.gz XOIJJJOCJBHDSX-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CC1(C)C[N@H+](CC(=O)NC2CC2)[C@H]1c1ccco1 ZINC000639925246 357822587 /nfs/dbraw/zinc/82/25/87/357822587.db2.gz KNZCVYLEYHIQGM-ZDUSSCGKSA-N 1 2 248.326 1.941 20 0 BDADLO CC1(C)C[N@@H+](CC(=O)NC2CC2)[C@H]1c1ccco1 ZINC000639925246 357822590 /nfs/dbraw/zinc/82/25/90/357822590.db2.gz KNZCVYLEYHIQGM-ZDUSSCGKSA-N 1 2 248.326 1.941 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000191675154 357783201 /nfs/dbraw/zinc/78/32/01/357783201.db2.gz JOIFGUOEDWPSCX-USWWRNFRSA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000191675154 357783205 /nfs/dbraw/zinc/78/32/05/357783205.db2.gz JOIFGUOEDWPSCX-USWWRNFRSA-N 1 2 249.314 1.183 20 0 BDADLO C[C@@H]1CCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000583281779 357830034 /nfs/dbraw/zinc/83/00/34/357830034.db2.gz NHIXWYSSUFKBIF-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO C[C@@H](O)[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000235347530 357867212 /nfs/dbraw/zinc/86/72/12/357867212.db2.gz FTWOGYKAONTCOT-RNFRBKRXSA-N 1 2 238.316 1.225 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1csnn1 ZINC000398244075 357870402 /nfs/dbraw/zinc/87/04/02/357870402.db2.gz QYPCITJQSYSURO-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccc1F ZINC000168602723 134231378 /nfs/dbraw/zinc/23/13/78/134231378.db2.gz IGCMBWXHOYZTJU-ZYHUDNBSSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccc1F ZINC000168602723 134231379 /nfs/dbraw/zinc/23/13/79/134231379.db2.gz IGCMBWXHOYZTJU-ZYHUDNBSSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000073949916 357930753 /nfs/dbraw/zinc/93/07/53/357930753.db2.gz YOLRUAMEZHKTOE-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CC1(C)C[NH+](Cc2cnccn2)CC(C)(C)O1 ZINC000584515363 358020156 /nfs/dbraw/zinc/02/01/56/358020156.db2.gz JYYOWUDVXHATMK-UHFFFAOYSA-N 1 2 235.331 1.866 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000639971066 358020172 /nfs/dbraw/zinc/02/01/72/358020172.db2.gz MSYOVHKLKAQVFE-LLVKDONJSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000639971066 358020174 /nfs/dbraw/zinc/02/01/74/358020174.db2.gz MSYOVHKLKAQVFE-LLVKDONJSA-N 1 2 225.336 1.557 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640001866 358037534 /nfs/dbraw/zinc/03/75/34/358037534.db2.gz DXGWQYDMCRBZGH-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640001866 358037536 /nfs/dbraw/zinc/03/75/36/358037536.db2.gz DXGWQYDMCRBZGH-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000639971791 358031517 /nfs/dbraw/zinc/03/15/17/358031517.db2.gz HSIYHMMABNGUCN-UHFFFAOYSA-N 1 2 245.330 1.757 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000639971791 358031523 /nfs/dbraw/zinc/03/15/23/358031523.db2.gz HSIYHMMABNGUCN-UHFFFAOYSA-N 1 2 245.330 1.757 20 0 BDADLO COC(C)(C)CC[N@H+](C)Cc1cn[nH]c1C ZINC000639971863 358031841 /nfs/dbraw/zinc/03/18/41/358031841.db2.gz YKSIZNZZKAANJL-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO COC(C)(C)CC[N@@H+](C)Cc1cn[nH]c1C ZINC000639971863 358031846 /nfs/dbraw/zinc/03/18/46/358031846.db2.gz YKSIZNZZKAANJL-UHFFFAOYSA-N 1 2 225.336 1.965 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000168886532 134247229 /nfs/dbraw/zinc/24/72/29/134247229.db2.gz WUJKMTCCWABJSG-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000168886532 134247230 /nfs/dbraw/zinc/24/72/30/134247230.db2.gz WUJKMTCCWABJSG-GHMZBOCLSA-N 1 2 240.347 1.154 20 0 BDADLO CCOC1CC([NH2+]C(C)(C)C(=O)OC)C1 ZINC000169181843 134249433 /nfs/dbraw/zinc/24/94/33/134249433.db2.gz VEVHOBPXLCHRFD-UHFFFAOYSA-N 1 2 215.293 1.095 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)(C)C)C[C@@H](C)O ZINC000352202957 535393020 /nfs/dbraw/zinc/39/30/20/535393020.db2.gz NZBYZTHVKGWDKV-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)(C)C)C[C@@H](C)O ZINC000352202957 535393022 /nfs/dbraw/zinc/39/30/22/535393022.db2.gz NZBYZTHVKGWDKV-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO CCCc1noc(C[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000170767013 134253838 /nfs/dbraw/zinc/25/38/38/134253838.db2.gz MALRSCZUDPYJSQ-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCCO[C@H](C)C2)n1 ZINC000170767013 134253839 /nfs/dbraw/zinc/25/38/39/134253839.db2.gz MALRSCZUDPYJSQ-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)Cc1cnn(C)c1 ZINC000584665598 358128206 /nfs/dbraw/zinc/12/82/06/358128206.db2.gz SHIAKIJROMKDKK-JTQLQIEISA-N 1 2 245.330 1.292 20 0 BDADLO CCSCCCc1noc(C[NH+](C)C)n1 ZINC000350982672 366385786 /nfs/dbraw/zinc/38/57/86/366385786.db2.gz CPWGSROLKBNVKU-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C)(F)CC2)[nH]1 ZINC000640071340 358161073 /nfs/dbraw/zinc/16/10/73/358161073.db2.gz JTVGJZSUEPFWBW-UHFFFAOYSA-N 1 2 212.272 1.437 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000450623441 202215648 /nfs/dbraw/zinc/21/56/48/202215648.db2.gz PYHDHRLVDZZBIG-WCABBAIRSA-N 1 2 241.360 1.692 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000450623441 202215651 /nfs/dbraw/zinc/21/56/51/202215651.db2.gz PYHDHRLVDZZBIG-WCABBAIRSA-N 1 2 241.360 1.692 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ncccc1O ZINC000584865993 358206719 /nfs/dbraw/zinc/20/67/19/358206719.db2.gz LMLIHIBIQQILAN-VIFPVBQESA-N 1 2 238.287 1.171 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ncccc1O ZINC000584865993 358206722 /nfs/dbraw/zinc/20/67/22/358206722.db2.gz LMLIHIBIQQILAN-VIFPVBQESA-N 1 2 238.287 1.171 20 0 BDADLO CCC[C@@H](O)CNc1[nH+]cccc1OC ZINC000134446665 325358957 /nfs/dbraw/zinc/35/89/57/325358957.db2.gz JOVFTRNQFJQBPT-SECBINFHSA-N 1 2 210.277 1.663 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000450644516 202222034 /nfs/dbraw/zinc/22/20/34/202222034.db2.gz FRLCOUPSKYSPEM-BDAKNGLRSA-N 1 2 241.360 1.474 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)s1 ZINC000450644516 202222037 /nfs/dbraw/zinc/22/20/37/202222037.db2.gz FRLCOUPSKYSPEM-BDAKNGLRSA-N 1 2 241.360 1.474 20 0 BDADLO Cc1cc(N2CC(C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000450692295 202234946 /nfs/dbraw/zinc/23/49/46/202234946.db2.gz BXRZFEFRZHYWQY-UHFFFAOYSA-N 1 2 249.314 1.563 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccon1 ZINC000086453776 491126839 /nfs/dbraw/zinc/12/68/39/491126839.db2.gz LPPXGDQSSNVOJQ-RKDXNWHRSA-N 1 2 225.292 1.067 20 0 BDADLO CC[C@](C)(CNc1[nH+]c(C)nc2[nH]ccc21)OC ZINC000450719169 202243547 /nfs/dbraw/zinc/24/35/47/202243547.db2.gz VFSCYGGUVGELIA-CYBMUJFWSA-N 1 2 248.330 1.915 20 0 BDADLO c1nnsc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000450743492 202252938 /nfs/dbraw/zinc/25/29/38/202252938.db2.gz HMGYCZYRGYJNFG-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO c1nnsc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000450743492 202252942 /nfs/dbraw/zinc/25/29/42/202252942.db2.gz HMGYCZYRGYJNFG-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCNC(=O)CC1 ZINC000578210120 366396338 /nfs/dbraw/zinc/39/63/38/366396338.db2.gz BOEKPROALNYCNT-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCNC(=O)CC1 ZINC000578210120 366396344 /nfs/dbraw/zinc/39/63/44/366396344.db2.gz BOEKPROALNYCNT-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242524 358343615 /nfs/dbraw/zinc/34/36/15/358343615.db2.gz HCISLGJIMAANQA-YFKTTZPYSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242524 358343616 /nfs/dbraw/zinc/34/36/16/358343616.db2.gz HCISLGJIMAANQA-YFKTTZPYSA-N 1 2 242.363 1.399 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242596 358343661 /nfs/dbraw/zinc/34/36/61/358343661.db2.gz DWRHGIQCIRDRCH-TUAOUCFPSA-N 1 2 242.363 1.353 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242596 358343662 /nfs/dbraw/zinc/34/36/62/358343662.db2.gz DWRHGIQCIRDRCH-TUAOUCFPSA-N 1 2 242.363 1.353 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@@H](C)C1 ZINC000230611951 358408850 /nfs/dbraw/zinc/40/88/50/358408850.db2.gz GXMMZZSAQCYNDE-RKDXNWHRSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@@H](C)C1 ZINC000230611951 358408852 /nfs/dbraw/zinc/40/88/52/358408852.db2.gz GXMMZZSAQCYNDE-RKDXNWHRSA-N 1 2 236.319 1.916 20 0 BDADLO OCC(F)(F)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000228751480 358385393 /nfs/dbraw/zinc/38/53/93/358385393.db2.gz AUNBJELLVKLTDD-JTQLQIEISA-N 1 2 237.290 1.145 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000351185533 366443899 /nfs/dbraw/zinc/44/38/99/366443899.db2.gz OVJTUDOVLJAPHO-MRVPVSSYSA-N 1 2 225.292 1.370 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000351185533 366443905 /nfs/dbraw/zinc/44/39/05/366443905.db2.gz OVJTUDOVLJAPHO-MRVPVSSYSA-N 1 2 225.292 1.370 20 0 BDADLO CC[N@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000045770984 358565287 /nfs/dbraw/zinc/56/52/87/358565287.db2.gz GYFQHAMNKVHGTF-UHFFFAOYSA-N 1 2 243.314 1.647 20 0 BDADLO CC[N@@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000045770984 358565290 /nfs/dbraw/zinc/56/52/90/358565290.db2.gz GYFQHAMNKVHGTF-UHFFFAOYSA-N 1 2 243.314 1.647 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569755 358526992 /nfs/dbraw/zinc/52/69/92/358526992.db2.gz SJORQCJJXFHFHJ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569755 358526995 /nfs/dbraw/zinc/52/69/95/358526995.db2.gz SJORQCJJXFHFHJ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cc(NCCOCCO)nc(C(C)C)[nH+]1 ZINC000048106554 358616981 /nfs/dbraw/zinc/61/69/81/358616981.db2.gz MCWIRNJWBZREON-UHFFFAOYSA-N 1 2 239.319 1.329 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212733765 358621243 /nfs/dbraw/zinc/62/12/43/358621243.db2.gz YEVOMNCILKPRDP-MWLCHTKSSA-N 1 2 233.315 1.772 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212733765 358621247 /nfs/dbraw/zinc/62/12/47/358621247.db2.gz YEVOMNCILKPRDP-MWLCHTKSSA-N 1 2 233.315 1.772 20 0 BDADLO CCCC[C@H]([NH2+][C@H](COC)C1CC1)C(=O)OC ZINC000135255155 325403517 /nfs/dbraw/zinc/40/35/17/325403517.db2.gz CQJTUJQGQZNXKQ-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccco1 ZINC000049316100 358682711 /nfs/dbraw/zinc/68/27/11/358682711.db2.gz VLVNKOYAAIWATR-UHFFFAOYSA-N 1 2 231.255 1.993 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccncc1 ZINC000133873286 358771087 /nfs/dbraw/zinc/77/10/87/358771087.db2.gz LXVPRNKBYKDHQM-LLVKDONJSA-N 1 2 236.315 1.854 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccncc1 ZINC000133873286 358771088 /nfs/dbraw/zinc/77/10/88/358771088.db2.gz LXVPRNKBYKDHQM-LLVKDONJSA-N 1 2 236.315 1.854 20 0 BDADLO CCCCc1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000051838725 358764335 /nfs/dbraw/zinc/76/43/35/358764335.db2.gz UGVPYXNJSDIMQS-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCCc1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000051838725 358764337 /nfs/dbraw/zinc/76/43/37/358764337.db2.gz UGVPYXNJSDIMQS-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCn1cc[nH+]c1CNc1ccc(C(N)=O)cc1 ZINC000051920798 358767367 /nfs/dbraw/zinc/76/73/67/358767367.db2.gz KAFNMOOHFRMBKW-UHFFFAOYSA-N 1 2 244.298 1.614 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2nncn2C)cn1 ZINC000132172894 358709683 /nfs/dbraw/zinc/70/96/83/358709683.db2.gz NHYRMIAHPGIMCP-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCN(c1cc[nH+]cc1)S(=O)(=O)CCCF ZINC000132386519 358720082 /nfs/dbraw/zinc/72/00/82/358720082.db2.gz YYCHQKZQPQLFEO-UHFFFAOYSA-N 1 2 246.307 1.597 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H](F)C1 ZINC000578238410 366461504 /nfs/dbraw/zinc/46/15/04/366461504.db2.gz AMRYXJGICNTBQQ-VHSXEESVSA-N 1 2 239.294 1.739 20 0 BDADLO COCCOCCCCNc1cc(C)[nH+]cn1 ZINC000134509757 358793507 /nfs/dbraw/zinc/79/35/07/358793507.db2.gz ITQGJTGIXWIRML-UHFFFAOYSA-N 1 2 239.319 1.640 20 0 BDADLO CC(C)([NH2+]CC1=CCCOC1)C(F)F ZINC000308512666 491136734 /nfs/dbraw/zinc/13/67/34/491136734.db2.gz LOCVFYCITVIGJL-UHFFFAOYSA-N 1 2 205.248 1.966 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccon1 ZINC000135559767 358844601 /nfs/dbraw/zinc/84/46/01/358844601.db2.gz KOOIMLYOALTBRR-GFCCVEGCSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccon1 ZINC000135559767 358844604 /nfs/dbraw/zinc/84/46/04/358844604.db2.gz KOOIMLYOALTBRR-GFCCVEGCSA-N 1 2 246.314 1.918 20 0 BDADLO Cc1nc(NC2CCC(C(N)=O)CC2)cc[nH+]1 ZINC000054936034 358879476 /nfs/dbraw/zinc/87/94/76/358879476.db2.gz KUGQYRRFLOCZAQ-UHFFFAOYSA-N 1 2 234.303 1.241 20 0 BDADLO CC[NH+](CC)Cc1nc(-c2cc(=O)[nH]cn2)no1 ZINC000351371614 366518221 /nfs/dbraw/zinc/51/82/21/366518221.db2.gz NXHWLPZTRNKPNI-UHFFFAOYSA-N 1 2 249.274 1.074 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057988 358880623 /nfs/dbraw/zinc/88/06/23/358880623.db2.gz LXPHYCGLVDUFFO-SNVBAGLBSA-N 1 2 238.331 1.935 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057988 358880627 /nfs/dbraw/zinc/88/06/27/358880627.db2.gz LXPHYCGLVDUFFO-SNVBAGLBSA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1[nH]cc[nH+]1 ZINC000140636107 358923758 /nfs/dbraw/zinc/92/37/58/358923758.db2.gz HWOGXMUUSOKOEE-VHSXEESVSA-N 1 2 247.302 1.435 20 0 BDADLO CC[C@H](NC(=O)CCn1cccn1)c1[nH]cc[nH+]1 ZINC000140633135 358923989 /nfs/dbraw/zinc/92/39/89/358923989.db2.gz OCRPIGUNZOFVFG-JTQLQIEISA-N 1 2 247.302 1.264 20 0 BDADLO CCNC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000640229253 358940069 /nfs/dbraw/zinc/94/00/69/358940069.db2.gz MGIADJIRSBRJNZ-UHFFFAOYSA-N 1 2 212.293 1.071 20 0 BDADLO CCNC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000640229253 358940073 /nfs/dbraw/zinc/94/00/73/358940073.db2.gz MGIADJIRSBRJNZ-UHFFFAOYSA-N 1 2 212.293 1.071 20 0 BDADLO c1cn(CCCN2OC3CCC2CC3)c[nH+]1 ZINC000640230959 358944331 /nfs/dbraw/zinc/94/43/31/358944331.db2.gz XEDXTXABZHZAGW-UHFFFAOYSA-N 1 2 221.304 1.832 20 0 BDADLO Cn1c[nH+]c(CN2OC3CCC2CC3)c1 ZINC000640231186 358944975 /nfs/dbraw/zinc/94/49/75/358944975.db2.gz ZAVUPSRAFXLYAE-UHFFFAOYSA-N 1 2 207.277 1.479 20 0 BDADLO Cc1ccc(O)c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000070979150 359067400 /nfs/dbraw/zinc/06/74/00/359067400.db2.gz JCHPUWKCBBVVJE-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000070979245 359067758 /nfs/dbraw/zinc/06/77/58/359067758.db2.gz DXHGURHLYSVUFP-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO O=C(COc1cccc(F)c1)NCc1[nH]cc[nH+]1 ZINC000070991435 359070272 /nfs/dbraw/zinc/07/02/72/359070272.db2.gz HQTYIFJZNWAJLV-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO O=C(Cc1cccc(Cl)c1)NCc1[nH]cc[nH+]1 ZINC000070991196 359070449 /nfs/dbraw/zinc/07/04/49/359070449.db2.gz IVYFCHQFOWRIGJ-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO Cc1ccc(O)c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000071140937 359072760 /nfs/dbraw/zinc/07/27/60/359072760.db2.gz ITTMGLYEHKVJSZ-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CNC(=O)c1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000072958827 359092395 /nfs/dbraw/zinc/09/23/95/359092395.db2.gz QGLQBQSFJMDXIH-NSHDSACASA-N 1 2 248.326 1.267 20 0 BDADLO CNC(=O)c1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000072958827 359092397 /nfs/dbraw/zinc/09/23/97/359092397.db2.gz QGLQBQSFJMDXIH-NSHDSACASA-N 1 2 248.326 1.267 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871944 359107286 /nfs/dbraw/zinc/10/72/86/359107286.db2.gz SIXYARVEELVPQN-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871944 359107287 /nfs/dbraw/zinc/10/72/87/359107287.db2.gz SIXYARVEELVPQN-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO O=C1C[N@H+](Cc2ccccn2)[C@@H]2CCCC[C@H]2N1 ZINC000246650862 359154777 /nfs/dbraw/zinc/15/47/77/359154777.db2.gz PHUCNNIVGZVCPU-CHWSQXEVSA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2ccccn2)[C@@H]2CCCC[C@H]2N1 ZINC000246650862 359154782 /nfs/dbraw/zinc/15/47/82/359154782.db2.gz PHUCNNIVGZVCPU-CHWSQXEVSA-N 1 2 245.326 1.325 20 0 BDADLO c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)no1 ZINC000246931376 359195127 /nfs/dbraw/zinc/19/51/27/359195127.db2.gz NGTANGIEQFMOLV-GHMZBOCLSA-N 1 2 240.328 1.381 20 0 BDADLO c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)no1 ZINC000246931376 359195132 /nfs/dbraw/zinc/19/51/32/359195132.db2.gz NGTANGIEQFMOLV-GHMZBOCLSA-N 1 2 240.328 1.381 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555618 359166429 /nfs/dbraw/zinc/16/64/29/359166429.db2.gz NYPVIYAWLPJDLV-VWYCJHECSA-N 1 2 233.315 1.772 20 0 BDADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CC=C(C)C ZINC000246880082 359172140 /nfs/dbraw/zinc/17/21/40/359172140.db2.gz FXDFRPVDZKFIPL-QWRGUYRKSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CC=C(C)C ZINC000246880082 359172141 /nfs/dbraw/zinc/17/21/41/359172141.db2.gz FXDFRPVDZKFIPL-QWRGUYRKSA-N 1 2 227.304 1.215 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000246961870 359177583 /nfs/dbraw/zinc/17/75/83/359177583.db2.gz AZXXINFEIVCADH-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000246961870 359177587 /nfs/dbraw/zinc/17/75/87/359177587.db2.gz AZXXINFEIVCADH-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000247673771 359239787 /nfs/dbraw/zinc/23/97/87/359239787.db2.gz QLRZEZXTHQTVSB-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000247934987 359250289 /nfs/dbraw/zinc/25/02/89/359250289.db2.gz DLJNOIAJXGSSBR-UWVGGRQHSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000247934987 359250293 /nfs/dbraw/zinc/25/02/93/359250293.db2.gz DLJNOIAJXGSSBR-UWVGGRQHSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)N[C@H](C)C(C)C ZINC000247305301 359211316 /nfs/dbraw/zinc/21/13/16/359211316.db2.gz VJCULMIBNBJLQD-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)N[C@H](C)C(C)C ZINC000247305301 359211318 /nfs/dbraw/zinc/21/13/18/359211318.db2.gz VJCULMIBNBJLQD-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO COc1cc(C)[nH+]c(CSCCC(N)=O)c1 ZINC000611470874 359376417 /nfs/dbraw/zinc/37/64/17/359376417.db2.gz IWWQHBBCTTXRHF-UHFFFAOYSA-N 1 2 240.328 1.507 20 0 BDADLO COC(=O)[C@@H](C1CC1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611668785 359413716 /nfs/dbraw/zinc/41/37/16/359413716.db2.gz YGGUSTGPHYMXDT-SECBINFHSA-N 1 2 245.269 1.669 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501633 359383929 /nfs/dbraw/zinc/38/39/29/359383929.db2.gz GAZXBKWKJDLSFB-CIUDSAMLSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501633 359383932 /nfs/dbraw/zinc/38/39/32/359383932.db2.gz GAZXBKWKJDLSFB-CIUDSAMLSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580431 359398049 /nfs/dbraw/zinc/39/80/49/359398049.db2.gz WGCQKEJKRCMPBK-JGVFFNPUSA-N 1 2 237.246 1.252 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580431 359398053 /nfs/dbraw/zinc/39/80/53/359398053.db2.gz WGCQKEJKRCMPBK-JGVFFNPUSA-N 1 2 237.246 1.252 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC1(C)C ZINC000611796100 359452890 /nfs/dbraw/zinc/45/28/90/359452890.db2.gz WNBUBEVOOSCGGT-VIFPVBQESA-N 1 2 221.304 1.771 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000611896097 359476161 /nfs/dbraw/zinc/47/61/61/359476161.db2.gz DLUDUGUBKVQBQG-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000611896097 359476165 /nfs/dbraw/zinc/47/61/65/359476165.db2.gz DLUDUGUBKVQBQG-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000611916526 359482357 /nfs/dbraw/zinc/48/23/57/359482357.db2.gz SOQYOXRRHBXHMD-VIFPVBQESA-N 1 2 233.315 1.431 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000611916526 359482359 /nfs/dbraw/zinc/48/23/59/359482359.db2.gz SOQYOXRRHBXHMD-VIFPVBQESA-N 1 2 233.315 1.431 20 0 BDADLO C[C@H]1CC[N@H+](Cn2ccc(Br)n2)C1 ZINC000306265898 359489123 /nfs/dbraw/zinc/48/91/23/359489123.db2.gz FWCIBQBUGRTRTC-QMMMGPOBSA-N 1 2 244.136 1.945 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2ccc(Br)n2)C1 ZINC000306265898 359489124 /nfs/dbraw/zinc/48/91/24/359489124.db2.gz FWCIBQBUGRTRTC-QMMMGPOBSA-N 1 2 244.136 1.945 20 0 BDADLO Cc1c(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cnn1C ZINC000580447368 359563114 /nfs/dbraw/zinc/56/31/14/359563114.db2.gz FYVYBXAAWPETOG-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1c(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cnn1C ZINC000580447368 359563119 /nfs/dbraw/zinc/56/31/19/359563119.db2.gz FYVYBXAAWPETOG-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000574994018 359529583 /nfs/dbraw/zinc/52/95/83/359529583.db2.gz KIZUYCCKQNWSBF-XYPYZODXSA-N 1 2 235.331 1.895 20 0 BDADLO Nc1[nH+]cnc(N2CCC(F)(F)C2)c1Cl ZINC000309006572 491142238 /nfs/dbraw/zinc/14/22/38/491142238.db2.gz PZTGJKCAQKOAMX-UHFFFAOYSA-N 1 2 234.637 1.558 20 0 BDADLO COC1CC(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000626778052 359654489 /nfs/dbraw/zinc/65/44/89/359654489.db2.gz YBFMHDYWYCHIFT-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO CC[C@H](Nc1cc[nH+]c2ccncc12)[C@H](C)O ZINC000450794100 202268572 /nfs/dbraw/zinc/26/85/72/202268572.db2.gz JLIHUPQEKDYOAO-ONGXEEELSA-N 1 2 231.299 1.623 20 0 BDADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)[C@H](C)O ZINC000450797469 202268627 /nfs/dbraw/zinc/26/86/27/202268627.db2.gz NIYHFAKPDGEVDR-OIBJUYFYSA-N 1 2 234.303 1.838 20 0 BDADLO Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)nc[nH+]1 ZINC000450804113 202270914 /nfs/dbraw/zinc/27/09/14/202270914.db2.gz BUVJQVZGNQMLET-AGIUHOORSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCOC[C@@H]1C ZINC000380173856 359751443 /nfs/dbraw/zinc/75/14/43/359751443.db2.gz MKMLCUSFMNKNOE-WPRPVWTQSA-N 1 2 237.303 1.007 20 0 BDADLO COc1ccc(NCc2cocn2)[nH+]c1 ZINC000309072678 491144060 /nfs/dbraw/zinc/14/40/60/491144060.db2.gz GIADXGFIIBRRIQ-UHFFFAOYSA-N 1 2 205.217 1.690 20 0 BDADLO FC(F)(F)C[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000450857840 202292421 /nfs/dbraw/zinc/29/24/21/202292421.db2.gz KNWISPXSZDWNMW-ZETCQYMHSA-N 1 2 234.225 1.579 20 0 BDADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450857840 202292424 /nfs/dbraw/zinc/29/24/24/202292424.db2.gz KNWISPXSZDWNMW-ZETCQYMHSA-N 1 2 234.225 1.579 20 0 BDADLO FC(F)(F)C[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000450857840 202292427 /nfs/dbraw/zinc/29/24/27/202292427.db2.gz KNWISPXSZDWNMW-ZETCQYMHSA-N 1 2 234.225 1.579 20 0 BDADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450857840 202292429 /nfs/dbraw/zinc/29/24/29/202292429.db2.gz KNWISPXSZDWNMW-ZETCQYMHSA-N 1 2 234.225 1.579 20 0 BDADLO Cc1ccc(NC(=O)Cc2cnnn2C)c(C)[nH+]1 ZINC000612225686 359740511 /nfs/dbraw/zinc/74/05/11/359740511.db2.gz AJOUPSQTALNTEB-UHFFFAOYSA-N 1 2 245.286 1.008 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612308749 359780274 /nfs/dbraw/zinc/78/02/74/359780274.db2.gz JKWFQKJGGMBJAJ-GMTAPVOTSA-N 1 2 247.342 1.914 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612308749 359780281 /nfs/dbraw/zinc/78/02/81/359780281.db2.gz JKWFQKJGGMBJAJ-GMTAPVOTSA-N 1 2 247.342 1.914 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450993456 202328963 /nfs/dbraw/zinc/32/89/63/202328963.db2.gz QBNRLZGVVQFSRE-RKDXNWHRSA-N 1 2 242.298 1.785 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450993456 202328966 /nfs/dbraw/zinc/32/89/66/202328966.db2.gz QBNRLZGVVQFSRE-RKDXNWHRSA-N 1 2 242.298 1.785 20 0 BDADLO Cc1ncc(CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000578498111 366580239 /nfs/dbraw/zinc/58/02/39/366580239.db2.gz NPXPMWNJTRWRKS-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCC(C)(C)CC[NH2+][C@@](C)(COC)C(=O)OC ZINC000612452963 359857271 /nfs/dbraw/zinc/85/72/71/359857271.db2.gz RWXYPUONHASTCP-ZDUSSCGKSA-N 1 2 245.363 1.980 20 0 BDADLO CC(C)=CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613915619 363684088 /nfs/dbraw/zinc/68/40/88/363684088.db2.gz LJZCJHLCFNFMEY-JTQLQIEISA-N 1 2 233.315 1.597 20 0 BDADLO CC(C)=CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613915619 363684089 /nfs/dbraw/zinc/68/40/89/363684089.db2.gz LJZCJHLCFNFMEY-JTQLQIEISA-N 1 2 233.315 1.597 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451121442 202357979 /nfs/dbraw/zinc/35/79/79/202357979.db2.gz RKFCLXCXEMGXFN-SNVBAGLBSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451121442 202357980 /nfs/dbraw/zinc/35/79/80/202357980.db2.gz RKFCLXCXEMGXFN-SNVBAGLBSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000451123190 202361551 /nfs/dbraw/zinc/36/15/51/202361551.db2.gz UWUWKBZPRWJSAZ-GFCCVEGCSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000451123190 202361555 /nfs/dbraw/zinc/36/15/55/202361555.db2.gz UWUWKBZPRWJSAZ-GFCCVEGCSA-N 1 2 228.311 1.337 20 0 BDADLO Cc1cccc(C[N@H+](C2CC2)C2COC2)n1 ZINC000451130790 202362065 /nfs/dbraw/zinc/36/20/65/202362065.db2.gz NPOUPVHLPSAUNB-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cccc(C[N@@H+](C2CC2)C2COC2)n1 ZINC000451130790 202362067 /nfs/dbraw/zinc/36/20/67/202362067.db2.gz NPOUPVHLPSAUNB-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO CCc1noc(C)c1C[N@H+](C1CC1)C1COC1 ZINC000451133430 202362247 /nfs/dbraw/zinc/36/22/47/202362247.db2.gz YXOFCNIBRKSTJK-UHFFFAOYSA-N 1 2 236.315 1.909 20 0 BDADLO CCc1noc(C)c1C[N@@H+](C1CC1)C1COC1 ZINC000451133430 202362250 /nfs/dbraw/zinc/36/22/50/202362250.db2.gz YXOFCNIBRKSTJK-UHFFFAOYSA-N 1 2 236.315 1.909 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451190901 202373927 /nfs/dbraw/zinc/37/39/27/202373927.db2.gz QRDHWFISJJVJAZ-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451190901 202373930 /nfs/dbraw/zinc/37/39/30/202373930.db2.gz QRDHWFISJJVJAZ-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO CC[N@H+](CC(=O)NC1CCCCC1)C1COC1 ZINC000451281558 202394055 /nfs/dbraw/zinc/39/40/55/202394055.db2.gz BDFYJLSNILVTNY-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC[N@@H+](CC(=O)NC1CCCCC1)C1COC1 ZINC000451281558 202394058 /nfs/dbraw/zinc/39/40/58/202394058.db2.gz BDFYJLSNILVTNY-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CN(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088753582 359975147 /nfs/dbraw/zinc/97/51/47/359975147.db2.gz YRXYKSKWLUPJSK-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO CN(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088753582 359975152 /nfs/dbraw/zinc/97/51/52/359975152.db2.gz YRXYKSKWLUPJSK-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc(F)c1F ZINC000088750976 359975502 /nfs/dbraw/zinc/97/55/02/359975502.db2.gz ICAZKORHENXLBS-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc(F)c1F ZINC000088750976 359975504 /nfs/dbraw/zinc/97/55/04/359975504.db2.gz ICAZKORHENXLBS-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO Cc1ccc(CCC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088759424 359976808 /nfs/dbraw/zinc/97/68/08/359976808.db2.gz OXOOZFOZYWWLFC-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1ccc(CCC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088759424 359976813 /nfs/dbraw/zinc/97/68/13/359976813.db2.gz OXOOZFOZYWWLFC-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO O=C(CC[C@H]1CCCCO1)NCc1c[nH+]c[nH]1 ZINC000088759469 359976954 /nfs/dbraw/zinc/97/69/54/359976954.db2.gz LWLHVVCVCCCECU-LLVKDONJSA-N 1 2 237.303 1.375 20 0 BDADLO O=C(CC[C@H]1CCCCO1)NCc1c[nH]c[nH+]1 ZINC000088759469 359976962 /nfs/dbraw/zinc/97/69/62/359976962.db2.gz LWLHVVCVCCCECU-LLVKDONJSA-N 1 2 237.303 1.375 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1c(F)cccc1F ZINC000088759382 359976981 /nfs/dbraw/zinc/97/69/81/359976981.db2.gz RNXPGOXFPCZDFH-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1c(F)cccc1F ZINC000088759382 359976987 /nfs/dbraw/zinc/97/69/87/359976987.db2.gz RNXPGOXFPCZDFH-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO Cc1[nH+]ccc(NS(C)(=O)=O)c1Cl ZINC000306446838 360020706 /nfs/dbraw/zinc/02/07/06/360020706.db2.gz VHUFNYOVNYNYCK-UHFFFAOYSA-N 1 2 220.681 1.415 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628518137 359999098 /nfs/dbraw/zinc/99/90/98/359999098.db2.gz BHAHMZOMGFMVIC-BBBLOLIVSA-N 1 2 219.288 1.067 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628518137 359999102 /nfs/dbraw/zinc/99/91/02/359999102.db2.gz BHAHMZOMGFMVIC-BBBLOLIVSA-N 1 2 219.288 1.067 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008102 360052714 /nfs/dbraw/zinc/05/27/14/360052714.db2.gz VMRIUWWNHVNEBZ-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090008102 360052717 /nfs/dbraw/zinc/05/27/17/360052717.db2.gz VMRIUWWNHVNEBZ-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cn(C)nc1C ZINC000091980176 360139617 /nfs/dbraw/zinc/13/96/17/360139617.db2.gz VZGFBVZPRPRHMO-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cn(C)nc1C ZINC000091980176 360139621 /nfs/dbraw/zinc/13/96/21/360139621.db2.gz VZGFBVZPRPRHMO-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnn1C ZINC000091981650 360139853 /nfs/dbraw/zinc/13/98/53/360139853.db2.gz WNBDRLZXQZGQLC-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnn1C ZINC000091981650 360139855 /nfs/dbraw/zinc/13/98/55/360139855.db2.gz WNBDRLZXQZGQLC-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnn(CC)c2)CCO1 ZINC000093508550 360252242 /nfs/dbraw/zinc/25/22/42/360252242.db2.gz DPEWDAJNNWKTGS-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnn(CC)c2)CCO1 ZINC000093508550 360252246 /nfs/dbraw/zinc/25/22/46/360252246.db2.gz DPEWDAJNNWKTGS-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000613000815 360258391 /nfs/dbraw/zinc/25/83/91/360258391.db2.gz DCXLAJIJICXVJK-GXSJLCMTSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000613000815 360258396 /nfs/dbraw/zinc/25/83/96/360258396.db2.gz DCXLAJIJICXVJK-GXSJLCMTSA-N 1 2 247.342 1.819 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccn(C)c1 ZINC000093359481 360237419 /nfs/dbraw/zinc/23/74/19/360237419.db2.gz FGHIFVHNKVCAMK-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccn(C)c1 ZINC000093359481 360237422 /nfs/dbraw/zinc/23/74/22/360237422.db2.gz FGHIFVHNKVCAMK-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841872 360283374 /nfs/dbraw/zinc/28/33/74/360283374.db2.gz LHQWGZAGWKNBOW-CYBMUJFWSA-N 1 2 247.298 1.885 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841872 360283376 /nfs/dbraw/zinc/28/33/76/360283376.db2.gz LHQWGZAGWKNBOW-CYBMUJFWSA-N 1 2 247.298 1.885 20 0 BDADLO O=C(NC1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096785679 360353997 /nfs/dbraw/zinc/35/39/97/360353997.db2.gz CTHRPMFEWIXJOM-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096785849 360354883 /nfs/dbraw/zinc/35/48/83/360354883.db2.gz MFJSNNHZLXFMGB-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO CCc1cc(NCCC2(O)CCC2)nc[nH+]1 ZINC000309414008 491148840 /nfs/dbraw/zinc/14/88/40/491148840.db2.gz CGSVYWOCUCQQTB-UHFFFAOYSA-N 1 2 221.304 1.756 20 0 BDADLO CCN(CC)c1ccc(CNC(C)=O)c[nH+]1 ZINC000060832736 360525302 /nfs/dbraw/zinc/52/53/02/360525302.db2.gz ZOOATGWIJDBBFZ-UHFFFAOYSA-N 1 2 221.304 1.564 20 0 BDADLO COc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)[nH]n1 ZINC000628626745 360582488 /nfs/dbraw/zinc/58/24/88/360582488.db2.gz AZDRIPPXMULWIK-QMMMGPOBSA-N 1 2 249.274 1.205 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nnnn1C)c1ccsc1 ZINC000309527523 491150017 /nfs/dbraw/zinc/15/00/17/491150017.db2.gz CVNRTVINSVQACN-HTQZYQBOSA-N 1 2 237.332 1.683 20 0 BDADLO CCC(F)(F)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000628839862 360694384 /nfs/dbraw/zinc/69/43/84/360694384.db2.gz YRFWLAYBDIWRQT-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO CCC(F)(F)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000628839862 360694387 /nfs/dbraw/zinc/69/43/87/360694387.db2.gz YRFWLAYBDIWRQT-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912137 360744904 /nfs/dbraw/zinc/74/49/04/360744904.db2.gz BMUAPLUECVLYOD-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912137 360744907 /nfs/dbraw/zinc/74/49/07/360744907.db2.gz BMUAPLUECVLYOD-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000629033476 360817499 /nfs/dbraw/zinc/81/74/99/360817499.db2.gz VTIVYFFZWRCZQV-ZMWSMAPVSA-N 1 2 219.288 1.138 20 0 BDADLO C/C=C/CNC(=O)CCCn1cc[nH+]c1 ZINC000629034863 360822416 /nfs/dbraw/zinc/82/24/16/360822416.db2.gz BEGRXIIDPQAEGL-NSCUHMNNSA-N 1 2 207.277 1.356 20 0 BDADLO CSCC[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000154625156 360842556 /nfs/dbraw/zinc/84/25/56/360842556.db2.gz FWDMXDCZRRNKOP-VIFPVBQESA-N 1 2 227.333 1.311 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629146331 360903621 /nfs/dbraw/zinc/90/36/21/360903621.db2.gz SXDFLGWFZTYJMA-VXGBXAGGSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629146331 360903626 /nfs/dbraw/zinc/90/36/26/360903626.db2.gz SXDFLGWFZTYJMA-VXGBXAGGSA-N 1 2 249.314 1.026 20 0 BDADLO CN(C)c1ccc(CSc2ncnn2C)c[nH+]1 ZINC000629174810 360920374 /nfs/dbraw/zinc/92/03/74/360920374.db2.gz XZEWJLWCIQNDAI-UHFFFAOYSA-N 1 2 249.343 1.568 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1C[C@H]1C ZINC000629359826 361005061 /nfs/dbraw/zinc/00/50/61/361005061.db2.gz CKOBCVWSFJVTOS-SFYZADRCSA-N 1 2 217.276 1.524 20 0 BDADLO NC(=S)c1cc[nH+]c(NCC(F)(F)F)c1 ZINC000019502380 181321574 /nfs/dbraw/zinc/32/15/74/181321574.db2.gz VBZWJYNCQVLFJZ-UHFFFAOYSA-N 1 2 235.234 1.690 20 0 BDADLO Cc1nc(N2CC[C@@H](C)C(C)(C)C2)nc(N)[nH+]1 ZINC000631208544 361063090 /nfs/dbraw/zinc/06/30/90/361063090.db2.gz DRHIKWDHOHIWKQ-MRVPVSSYSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C)C(C)(C)C2)[nH+]1 ZINC000631208544 361063094 /nfs/dbraw/zinc/06/30/94/361063094.db2.gz DRHIKWDHOHIWKQ-MRVPVSSYSA-N 1 2 235.335 1.465 20 0 BDADLO CC(C)[N@H+](C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000640380457 361189522 /nfs/dbraw/zinc/18/95/22/361189522.db2.gz SUOSUTFFIWXQTO-UHFFFAOYSA-N 1 2 247.302 1.237 20 0 BDADLO CC(C)[N@@H+](C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000640380457 361189529 /nfs/dbraw/zinc/18/95/29/361189529.db2.gz SUOSUTFFIWXQTO-UHFFFAOYSA-N 1 2 247.302 1.237 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nncs1 ZINC000069966313 361239513 /nfs/dbraw/zinc/23/95/13/361239513.db2.gz KFVPSRSXYZJQPD-ZETCQYMHSA-N 1 2 209.278 1.235 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000640485043 361276850 /nfs/dbraw/zinc/27/68/50/361276850.db2.gz FFYGADJZNWCLTC-SNVBAGLBSA-N 1 2 223.276 1.406 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000640485043 361276855 /nfs/dbraw/zinc/27/68/55/361276855.db2.gz FFYGADJZNWCLTC-SNVBAGLBSA-N 1 2 223.276 1.406 20 0 BDADLO CCC(=O)C1(C(=O)NCc2[nH+]ccn2CC)CC1 ZINC000575001930 361290245 /nfs/dbraw/zinc/29/02/45/361290245.db2.gz RBGMAJUBNVXFHD-UHFFFAOYSA-N 1 2 249.314 1.279 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000579002839 366693065 /nfs/dbraw/zinc/69/30/65/366693065.db2.gz UAVDJDNOWURTFM-DTWKUNHWSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000579002839 366693071 /nfs/dbraw/zinc/69/30/71/366693071.db2.gz UAVDJDNOWURTFM-DTWKUNHWSA-N 1 2 221.304 1.503 20 0 BDADLO CNC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000428293082 201005887 /nfs/dbraw/zinc/00/58/87/201005887.db2.gz FNNMJBLMDULSQQ-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000428293082 201005889 /nfs/dbraw/zinc/00/58/89/201005889.db2.gz FNNMJBLMDULSQQ-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cnc([C@H](C)[NH+]2CCOCC2)cn1 ZINC000428471652 201022759 /nfs/dbraw/zinc/02/27/59/201022759.db2.gz BPVNGGJNBREFBO-JTQLQIEISA-N 1 2 207.277 1.178 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000428488227 201024654 /nfs/dbraw/zinc/02/46/54/201024654.db2.gz VAFIQWZSCBINNF-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C)nc1 ZINC000428488227 201024657 /nfs/dbraw/zinc/02/46/57/201024657.db2.gz VAFIQWZSCBINNF-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO CCC[C@@]1(CO)CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428950459 201051330 /nfs/dbraw/zinc/05/13/30/201051330.db2.gz FGZRAYZUSMOPQH-GFCCVEGCSA-N 1 2 238.335 1.098 20 0 BDADLO CCC[C@@]1(CO)CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428950459 201051333 /nfs/dbraw/zinc/05/13/33/201051333.db2.gz FGZRAYZUSMOPQH-GFCCVEGCSA-N 1 2 238.335 1.098 20 0 BDADLO CCC(CC)C[N@@H+]1CCOC[C@@H]1C(=O)OC ZINC000162893803 361369586 /nfs/dbraw/zinc/36/95/86/361369586.db2.gz MKMYIPAXFJZPLK-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCC(CC)C[N@H+]1CCOC[C@@H]1C(=O)OC ZINC000162893803 361369592 /nfs/dbraw/zinc/36/95/92/361369592.db2.gz MKMYIPAXFJZPLK-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614274510 363768087 /nfs/dbraw/zinc/76/80/87/363768087.db2.gz ATCUBEUKWURHFQ-IAZYJMLFSA-N 1 2 243.266 1.165 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)[nH]1 ZINC000428966524 201054281 /nfs/dbraw/zinc/05/42/81/201054281.db2.gz KNXZYQRWGYCHHU-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)[nH]1 ZINC000428966524 201054284 /nfs/dbraw/zinc/05/42/84/201054284.db2.gz KNXZYQRWGYCHHU-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ncn1 ZINC000428989667 201057881 /nfs/dbraw/zinc/05/78/81/201057881.db2.gz FCLXCJGZMHZFAU-RISCZKNCSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ncn1 ZINC000428989667 201057884 /nfs/dbraw/zinc/05/78/84/201057884.db2.gz FCLXCJGZMHZFAU-RISCZKNCSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CC3)ncn1 ZINC000428998313 201058740 /nfs/dbraw/zinc/05/87/40/201058740.db2.gz UUKOXYVDLKEVKG-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CC3)ncn1 ZINC000428998313 201058744 /nfs/dbraw/zinc/05/87/44/201058744.db2.gz UUKOXYVDLKEVKG-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO CCOCCC[N@H+](C)Cc1nncn1C(C)C ZINC000429278877 201087527 /nfs/dbraw/zinc/08/75/27/201087527.db2.gz JOYXLIMVUDEVGB-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO CCOCCC[N@@H+](C)Cc1nncn1C(C)C ZINC000429278877 201087531 /nfs/dbraw/zinc/08/75/31/201087531.db2.gz JOYXLIMVUDEVGB-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nc(C)no1 ZINC000429227244 201081191 /nfs/dbraw/zinc/08/11/91/201081191.db2.gz NYDDCURNIQOIAC-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nc(C)no1 ZINC000429227244 201081194 /nfs/dbraw/zinc/08/11/94/201081194.db2.gz NYDDCURNIQOIAC-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO CCCc1nc(C[N@H+](C)C2(CO)CCC2)no1 ZINC000429232645 201081230 /nfs/dbraw/zinc/08/12/30/201081230.db2.gz UOUMLASLZPFGDR-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@@H+](C)C2(CO)CCC2)no1 ZINC000429232645 201081232 /nfs/dbraw/zinc/08/12/32/201081232.db2.gz UOUMLASLZPFGDR-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429244421 201082375 /nfs/dbraw/zinc/08/23/75/201082375.db2.gz GFYJYXKJLMJEFP-GXSJLCMTSA-N 1 2 249.310 1.401 20 0 BDADLO Cn1nnnc1C[NH2+]C(C)(C)c1ccccc1F ZINC000429252715 201084232 /nfs/dbraw/zinc/08/42/32/201084232.db2.gz IMXBWUXCEJZSJS-UHFFFAOYSA-N 1 2 249.293 1.374 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429388344 201106720 /nfs/dbraw/zinc/10/67/20/201106720.db2.gz NVMQECFFOYLZDT-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429388344 201106723 /nfs/dbraw/zinc/10/67/23/201106723.db2.gz NVMQECFFOYLZDT-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO CS[C@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579343079 366762915 /nfs/dbraw/zinc/76/29/15/366762915.db2.gz LJEVVNZCLOVTNJ-SVRRBLITSA-N 1 2 245.373 1.011 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ocnc1C1CC1 ZINC000579408170 366776641 /nfs/dbraw/zinc/77/66/41/366776641.db2.gz WVXKQOOAJJMDKL-UHFFFAOYSA-N 1 2 245.238 1.327 20 0 BDADLO C[C@H]1CC[C@@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563530 201115286 /nfs/dbraw/zinc/11/52/86/201115286.db2.gz CKBIIYVBFDOJKB-JGVFFNPUSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H]1CC[C@@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563530 201115288 /nfs/dbraw/zinc/11/52/88/201115288.db2.gz CKBIIYVBFDOJKB-JGVFFNPUSA-N 1 2 210.281 1.131 20 0 BDADLO Cn1c(Cn2cc[nH+]c2)nnc1C1CCC1 ZINC000181142189 366789059 /nfs/dbraw/zinc/78/90/59/366789059.db2.gz REEZYZJAYCQOMQ-UHFFFAOYSA-N 1 2 217.276 1.327 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)C[C@@H]2CCOC2)no1 ZINC000429678559 201123870 /nfs/dbraw/zinc/12/38/70/201123870.db2.gz ASVJRAMHRHDORW-SCZZXKLOSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@@H]2CCOC2)no1 ZINC000429678559 201123873 /nfs/dbraw/zinc/12/38/73/201123873.db2.gz ASVJRAMHRHDORW-SCZZXKLOSA-N 1 2 225.292 1.407 20 0 BDADLO CSCC[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000429698273 201126569 /nfs/dbraw/zinc/12/65/69/201126569.db2.gz MDSVJHZQSFGBDK-SSDOTTSWSA-N 1 2 215.322 1.734 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000429698273 201126572 /nfs/dbraw/zinc/12/65/72/201126572.db2.gz MDSVJHZQSFGBDK-SSDOTTSWSA-N 1 2 215.322 1.734 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H](CO)COC(C)C)o1 ZINC000433168218 201164123 /nfs/dbraw/zinc/16/41/23/201164123.db2.gz MBRYDJUJXXQWLD-NSHDSACASA-N 1 2 242.319 1.201 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H](CO)COC(C)C)o1 ZINC000433168218 201164125 /nfs/dbraw/zinc/16/41/25/201164125.db2.gz MBRYDJUJXXQWLD-NSHDSACASA-N 1 2 242.319 1.201 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000433186961 201164879 /nfs/dbraw/zinc/16/48/79/201164879.db2.gz MEPLDLICKBHMNB-UHFFFAOYSA-N 1 2 245.286 1.053 20 0 BDADLO C[N@H+](CC(F)F)C[C@H]1CNc2ccnn2C1 ZINC000309967476 491158640 /nfs/dbraw/zinc/15/86/40/491158640.db2.gz OCCBXERNRZVTRI-MRVPVSSYSA-N 1 2 230.262 1.122 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H]1CNc2ccnn2C1 ZINC000309967476 491158641 /nfs/dbraw/zinc/15/86/41/491158641.db2.gz OCCBXERNRZVTRI-MRVPVSSYSA-N 1 2 230.262 1.122 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](SC)C2)no1 ZINC000448546218 201199401 /nfs/dbraw/zinc/19/94/01/201199401.db2.gz YAGWIDMFZNZZKA-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](SC)C2)no1 ZINC000448546218 201199403 /nfs/dbraw/zinc/19/94/03/201199403.db2.gz YAGWIDMFZNZZKA-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000434486309 201221416 /nfs/dbraw/zinc/22/14/16/201221416.db2.gz QCTAXNPQGNOMON-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000434486309 201221419 /nfs/dbraw/zinc/22/14/19/201221419.db2.gz QCTAXNPQGNOMON-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO Cc1oc2nc(Cn3cc[nH+]c3)nc(N)c2c1C ZINC000153337279 201231834 /nfs/dbraw/zinc/23/18/34/201231834.db2.gz FRZSBBVNXZSGTI-UHFFFAOYSA-N 1 2 243.270 1.667 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2COC)o1 ZINC000448553526 201251654 /nfs/dbraw/zinc/25/16/54/201251654.db2.gz CFVVNYMYWPAJTO-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2COC)o1 ZINC000448553526 201251656 /nfs/dbraw/zinc/25/16/56/201251656.db2.gz CFVVNYMYWPAJTO-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@@H]2COC)no1 ZINC000448557441 201262806 /nfs/dbraw/zinc/26/28/06/201262806.db2.gz UMNWGRNJPDYKRB-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@@H]2COC)no1 ZINC000448557441 201262809 /nfs/dbraw/zinc/26/28/09/201262809.db2.gz UMNWGRNJPDYKRB-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CC1=CCCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000435579532 201277881 /nfs/dbraw/zinc/27/78/81/201277881.db2.gz LRPIZRUOZLRINB-UHFFFAOYSA-N 1 2 233.319 1.402 20 0 BDADLO CC1=CCCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000435579532 201277884 /nfs/dbraw/zinc/27/78/84/201277884.db2.gz LRPIZRUOZLRINB-UHFFFAOYSA-N 1 2 233.319 1.402 20 0 BDADLO CC[C@H](CO)Nc1ccc(-c2cncnc2)c[nH+]1 ZINC000629713437 361653156 /nfs/dbraw/zinc/65/31/56/361653156.db2.gz GGIJOOYHDWCJEZ-GFCCVEGCSA-N 1 2 244.298 1.721 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCCCn1cc[nH+]c1 ZINC000448564348 201287944 /nfs/dbraw/zinc/28/79/44/201287944.db2.gz GQJJXYOHSXEGBF-RWMBFGLXSA-N 1 2 247.342 1.826 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000154731110 201290200 /nfs/dbraw/zinc/29/02/00/201290200.db2.gz SKANFQNVZVMPNH-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000154731110 201290205 /nfs/dbraw/zinc/29/02/05/201290205.db2.gz SKANFQNVZVMPNH-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO CC(C)CCCC(=O)NCC[NH+]1CCOCC1 ZINC000448562064 201275307 /nfs/dbraw/zinc/27/53/07/201275307.db2.gz RGCOOZWWGRPOAQ-UHFFFAOYSA-N 1 2 242.363 1.261 20 0 BDADLO COCCn1cc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC000629751029 361682821 /nfs/dbraw/zinc/68/28/21/361682821.db2.gz IKSHYPRUOKTADJ-UHFFFAOYSA-N 1 2 232.287 1.312 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000155503665 201336365 /nfs/dbraw/zinc/33/63/65/201336365.db2.gz PCYBGAQGPIVQBI-LLVKDONJSA-N 1 2 232.327 1.917 20 0 BDADLO CC[C@@H](SC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000437657821 201363850 /nfs/dbraw/zinc/36/38/50/201363850.db2.gz RXTRGYDIQPJFDQ-MRVPVSSYSA-N 1 2 227.333 1.510 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC12CC2 ZINC000629829672 361726090 /nfs/dbraw/zinc/72/60/90/361726090.db2.gz HIEXSBIMHATSSN-NSHDSACASA-N 1 2 247.342 1.659 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000614699867 363929763 /nfs/dbraw/zinc/92/97/63/363929763.db2.gz CIIAISFUUUGBPV-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CCOC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000632023829 363961743 /nfs/dbraw/zinc/96/17/43/363961743.db2.gz WCZQPJZRHVIQOZ-UHFFFAOYSA-N 1 2 236.315 1.874 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cocn1 ZINC000622082228 370698443 /nfs/dbraw/zinc/69/84/43/370698443.db2.gz JJNUCYVYEWLCNH-QMMMGPOBSA-N 1 2 234.259 1.382 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1CSC1 ZINC000630354415 364076560 /nfs/dbraw/zinc/07/65/60/364076560.db2.gz YGHWDHYUNLTSOS-UHFFFAOYSA-N 1 2 237.328 1.296 20 0 BDADLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)CF)C2 ZINC000614884396 364031356 /nfs/dbraw/zinc/03/13/56/364031356.db2.gz GFARUIGQDUBHSJ-VXNVDRBHSA-N 1 2 239.294 1.297 20 0 BDADLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)CF)CC2 ZINC000614884396 364031361 /nfs/dbraw/zinc/03/13/61/364031361.db2.gz GFARUIGQDUBHSJ-VXNVDRBHSA-N 1 2 239.294 1.297 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)C1CSC1 ZINC000630498502 364185626 /nfs/dbraw/zinc/18/56/26/364185626.db2.gz DSKVNIFAIBGIPG-UHFFFAOYSA-N 1 2 247.323 1.314 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC[C@H]1CC1(F)F ZINC000622201825 370762384 /nfs/dbraw/zinc/76/23/84/370762384.db2.gz SHGAKPAUEMXYDX-VIFPVBQESA-N 1 2 243.257 1.435 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC1(F)F ZINC000622201824 370763125 /nfs/dbraw/zinc/76/31/25/370763125.db2.gz SHGAKPAUEMXYDX-SECBINFHSA-N 1 2 243.257 1.435 20 0 BDADLO Fc1ccc(-n2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000630598494 364314486 /nfs/dbraw/zinc/31/44/86/364314486.db2.gz USMRNFJUNUOMFC-GFCCVEGCSA-N 1 2 248.261 1.067 20 0 BDADLO O=C(C1CC2(CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000615039447 364403826 /nfs/dbraw/zinc/40/38/26/364403826.db2.gz LFOUXMCFEZCEPM-UHFFFAOYSA-N 1 2 231.299 1.416 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134810405 541360122 /nfs/dbraw/zinc/36/01/22/541360122.db2.gz AXSDKBLBUKYKNF-INTQDDNPSA-N 1 2 221.304 1.306 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H]([C@H](C)O)C2)no1 ZINC000579531337 366846949 /nfs/dbraw/zinc/84/69/49/366846949.db2.gz YMFBBZIKOVLJQT-QXEWZRGKSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H]([C@H](C)O)C2)no1 ZINC000579531337 366846955 /nfs/dbraw/zinc/84/69/55/366846955.db2.gz YMFBBZIKOVLJQT-QXEWZRGKSA-N 1 2 239.319 1.532 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(F)cn1 ZINC000181860434 366851530 /nfs/dbraw/zinc/85/15/30/366851530.db2.gz JVFNXXXIQLHEIS-UHFFFAOYSA-N 1 2 249.249 1.239 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CO[C@H](C)C2)[nH+]1 ZINC000573440793 364834222 /nfs/dbraw/zinc/83/42/22/364834222.db2.gz ZVYGUPXUYTUXKU-VXNVDRBHSA-N 1 2 232.287 1.856 20 0 BDADLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cocn2)C1=O ZINC000573489206 364841339 /nfs/dbraw/zinc/84/13/39/364841339.db2.gz QGPJTUMOKLOBAH-SNVBAGLBSA-N 1 2 237.303 1.164 20 0 BDADLO CC(C)(C)N1CC[C@H]([NH2+]Cc2cocn2)C1=O ZINC000573489198 364845657 /nfs/dbraw/zinc/84/56/57/364845657.db2.gz QGPJTUMOKLOBAH-JTQLQIEISA-N 1 2 237.303 1.164 20 0 BDADLO Cc1c(N[C@@H](C)c2[nH]cc[nH+]2)cnn1C ZINC000336021969 541424308 /nfs/dbraw/zinc/42/43/08/541424308.db2.gz GXSCCSJQVVPKRC-ZETCQYMHSA-N 1 2 205.265 1.625 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(Cl)o1 ZINC000336014697 541424333 /nfs/dbraw/zinc/42/43/33/541424333.db2.gz CYIZGFCONCZYQV-UHFFFAOYSA-N 1 2 239.662 1.597 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015518 541424554 /nfs/dbraw/zinc/42/45/54/541424554.db2.gz XQVIUMNREMEPLH-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CC3(CCC3)C2)c1 ZINC000574043357 364975104 /nfs/dbraw/zinc/97/51/04/364975104.db2.gz ZSSUSZMYSDVVNX-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO O=C(NC[C@H]1CC12CC2)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000574383825 365048048 /nfs/dbraw/zinc/04/80/48/365048048.db2.gz POAYATIPTCOOGL-NXEZZACHSA-N 1 2 245.326 1.746 20 0 BDADLO O=C(NC[C@H]1CC12CC2)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000574383825 365048055 /nfs/dbraw/zinc/04/80/55/365048055.db2.gz POAYATIPTCOOGL-NXEZZACHSA-N 1 2 245.326 1.746 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574455782 365066905 /nfs/dbraw/zinc/06/69/05/365066905.db2.gz IHCGTFSZLCJLAI-SDDRHHMPSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000574553913 365089518 /nfs/dbraw/zinc/08/95/18/365089518.db2.gz ZPTRTVYDDLPNSP-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CO[C@H](C)C2)c(C)c[nH+]1 ZINC000574689869 365121292 /nfs/dbraw/zinc/12/12/92/365121292.db2.gz XGBDPGOCXUPISR-MNOVXSKESA-N 1 2 249.314 1.419 20 0 BDADLO CC[C@@]1(C)C[N@@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000442887396 193001353 /nfs/dbraw/zinc/00/13/53/193001353.db2.gz WISYJDDTLJQAOL-AAEUAGOBSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@]1(C)C[N@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000442887396 193001356 /nfs/dbraw/zinc/00/13/56/193001356.db2.gz WISYJDDTLJQAOL-AAEUAGOBSA-N 1 2 241.331 1.439 20 0 BDADLO CC1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000622238276 370785832 /nfs/dbraw/zinc/78/58/32/370785832.db2.gz JLRFQTZJLIQQPQ-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000574805752 365147654 /nfs/dbraw/zinc/14/76/54/365147654.db2.gz KHEYOUMLBZHITE-WCBMZHEXSA-N 1 2 231.299 1.498 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000574805752 365147658 /nfs/dbraw/zinc/14/76/58/365147658.db2.gz KHEYOUMLBZHITE-WCBMZHEXSA-N 1 2 231.299 1.498 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000574805751 365148000 /nfs/dbraw/zinc/14/80/00/365148000.db2.gz KHEYOUMLBZHITE-SCZZXKLOSA-N 1 2 231.299 1.498 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000574805751 365148007 /nfs/dbraw/zinc/14/80/07/365148007.db2.gz KHEYOUMLBZHITE-SCZZXKLOSA-N 1 2 231.299 1.498 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(CC2CC2)C1 ZINC000622248350 370799006 /nfs/dbraw/zinc/79/90/06/370799006.db2.gz LRJAZUUBGCHBCV-UHFFFAOYSA-N 1 2 233.315 1.221 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000575071707 365189350 /nfs/dbraw/zinc/18/93/50/365189350.db2.gz DNDLIDPANSUJPE-OCAPTIKFSA-N 1 2 238.291 1.047 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2[nH+]cnc(N)c2OC)C1 ZINC000575071707 365189356 /nfs/dbraw/zinc/18/93/56/365189356.db2.gz DNDLIDPANSUJPE-OCAPTIKFSA-N 1 2 238.291 1.047 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC2CCC1CC2 ZINC000575348569 365297246 /nfs/dbraw/zinc/29/72/46/365297246.db2.gz JFTNBMJNONEKQL-GCZXYKMCSA-N 1 2 247.342 1.658 20 0 BDADLO Cc1cccc(C[N@@H+]2CCn3nncc3C2)c1C ZINC000575935160 365421590 /nfs/dbraw/zinc/42/15/90/365421590.db2.gz HTLUMZHWJPTDJU-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cccc(C[N@H+]2CCn3nncc3C2)c1C ZINC000575935160 365421596 /nfs/dbraw/zinc/42/15/96/365421596.db2.gz HTLUMZHWJPTDJU-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(OCCOCCO)c2ccccc2[nH+]1 ZINC000575969880 365427683 /nfs/dbraw/zinc/42/76/83/365427683.db2.gz JRBNKDZJFWMFGZ-UHFFFAOYSA-N 1 2 247.294 1.931 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000575985889 365436284 /nfs/dbraw/zinc/43/62/84/365436284.db2.gz CZABINKWYONDPN-ZYHUDNBSSA-N 1 2 248.282 1.331 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(CO)o2)nc(C)n1 ZINC000576008973 365446852 /nfs/dbraw/zinc/44/68/52/365446852.db2.gz MKFOTMSXKYLGSJ-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000182404414 366898494 /nfs/dbraw/zinc/89/84/94/366898494.db2.gz WDDKVTXSSDQWJJ-MRVPVSSYSA-N 1 2 238.360 1.619 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000182404414 366898502 /nfs/dbraw/zinc/89/85/02/366898502.db2.gz WDDKVTXSSDQWJJ-MRVPVSSYSA-N 1 2 238.360 1.619 20 0 BDADLO CC(C)Cn1nccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000579595122 366898954 /nfs/dbraw/zinc/89/89/54/366898954.db2.gz OMYJMBRGGODNLY-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1CCCO1)n1cc[nH+]c1 ZINC000579598129 366899735 /nfs/dbraw/zinc/89/97/35/366899735.db2.gz ROXJLUYNFCZNNE-WDEREUQCSA-N 1 2 237.303 1.129 20 0 BDADLO CC[C@H](O)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000576102827 365485964 /nfs/dbraw/zinc/48/59/64/365485964.db2.gz QBLZPQQXPKCXBN-JTQLQIEISA-N 1 2 247.298 1.971 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)n1 ZINC000655845462 541482980 /nfs/dbraw/zinc/48/29/80/541482980.db2.gz HSCOBXQIFOUSSJ-KBPBESRZSA-N 1 2 243.310 1.168 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1csnn1 ZINC000183186504 366993248 /nfs/dbraw/zinc/99/32/48/366993248.db2.gz LUFXAAGVDGKSGU-QMMMGPOBSA-N 1 2 243.332 1.312 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1csnn1 ZINC000183186504 366993253 /nfs/dbraw/zinc/99/32/53/366993253.db2.gz LUFXAAGVDGKSGU-QMMMGPOBSA-N 1 2 243.332 1.312 20 0 BDADLO C[C@@H](NC(=O)c1cn2c(n1)CCC2)c1[nH]cc[nH+]1 ZINC000579858933 367054385 /nfs/dbraw/zinc/05/43/85/367054385.db2.gz AZHILCHBXPLVSQ-MRVPVSSYSA-N 1 2 245.286 1.043 20 0 BDADLO Cc1[nH]c(CNc2ccc(CO)cn2)[nH+]c1C ZINC000579973781 367111703 /nfs/dbraw/zinc/11/17/03/367111703.db2.gz LEWOYHXOLNOVLM-UHFFFAOYSA-N 1 2 232.287 1.526 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC12CC2 ZINC000622284022 370818680 /nfs/dbraw/zinc/81/86/80/370818680.db2.gz LIMQZDKLPCRBEW-VIFPVBQESA-N 1 2 219.288 1.179 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000580719082 367148916 /nfs/dbraw/zinc/14/89/16/367148916.db2.gz NEXSVGXSZPXBSM-HBNTYKKESA-N 1 2 237.303 1.128 20 0 BDADLO Cc1nc(N[C@H]([C@@H](CO)C2CC2)C2CC2)cc[nH+]1 ZINC000580755284 367156080 /nfs/dbraw/zinc/15/60/80/367156080.db2.gz RXYAIRXICZTLPW-JSGCOSHPSA-N 1 2 247.342 1.994 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCOC2(CCC2)C1 ZINC000581165308 367280025 /nfs/dbraw/zinc/28/00/25/367280025.db2.gz BKTIJWDQFMPAJU-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO c1nc(N[C@@H]2CCCOC2)cc(NC2CC2)[nH+]1 ZINC000580998838 367228794 /nfs/dbraw/zinc/22/87/94/367228794.db2.gz XESBTTQLIILWNG-SNVBAGLBSA-N 1 2 234.303 1.642 20 0 BDADLO c1nc(NC2CC2)cc(N[C@@H]2CCCOC2)[nH+]1 ZINC000580998838 367228801 /nfs/dbraw/zinc/22/88/01/367228801.db2.gz XESBTTQLIILWNG-SNVBAGLBSA-N 1 2 234.303 1.642 20 0 BDADLO c1cnc(NCCCNc2cccc[nH+]2)nc1 ZINC000195217084 367350734 /nfs/dbraw/zinc/35/07/34/367350734.db2.gz LNIHTKWFWKAXKY-UHFFFAOYSA-N 1 2 229.287 1.786 20 0 BDADLO Cc1ccc2nc(Cn3cc[nH+]c3)cn2c1 ZINC000194432293 367289900 /nfs/dbraw/zinc/28/99/00/367289900.db2.gz XPWMYQBVTJEISL-UHFFFAOYSA-N 1 2 212.256 1.888 20 0 BDADLO CCn1nccc1C[NH2+]CC(C)(F)F ZINC000382200893 367497815 /nfs/dbraw/zinc/49/78/15/367497815.db2.gz FAGNIXSCVQELTK-UHFFFAOYSA-N 1 2 203.236 1.648 20 0 BDADLO COC(=O)C[N@H+](CCc1cccc(C)n1)C1CC1 ZINC000581881207 367872547 /nfs/dbraw/zinc/87/25/47/367872547.db2.gz HAQKRJSFLIFJGN-UHFFFAOYSA-N 1 2 248.326 1.570 20 0 BDADLO COC(=O)C[N@@H+](CCc1cccc(C)n1)C1CC1 ZINC000581881207 367872549 /nfs/dbraw/zinc/87/25/49/367872549.db2.gz HAQKRJSFLIFJGN-UHFFFAOYSA-N 1 2 248.326 1.570 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)o2)CCS1 ZINC000076071988 367998973 /nfs/dbraw/zinc/99/89/73/367998973.db2.gz CZBVRVCZEKOVDK-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)o2)CCS1 ZINC000076071988 367998975 /nfs/dbraw/zinc/99/89/75/367998975.db2.gz CZBVRVCZEKOVDK-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)[C@H](C)O ZINC000386685156 368010268 /nfs/dbraw/zinc/01/02/68/368010268.db2.gz JBZROPZXCBSEEH-QWRGUYRKSA-N 1 2 237.347 1.902 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@H](C)[C@@H]2C)on1 ZINC000581951800 368017947 /nfs/dbraw/zinc/01/79/47/368017947.db2.gz NNHWSTXVHMORSR-YUMQZZPRSA-N 1 2 208.261 1.717 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)on1 ZINC000581951800 368017955 /nfs/dbraw/zinc/01/79/55/368017955.db2.gz NNHWSTXVHMORSR-YUMQZZPRSA-N 1 2 208.261 1.717 20 0 BDADLO CCn1nccc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956145 368149440 /nfs/dbraw/zinc/14/94/40/368149440.db2.gz NBUNWAQYMXSQPU-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615730841 368228773 /nfs/dbraw/zinc/22/87/73/368228773.db2.gz BETKYICBTBEZPK-UMBAGQNISA-N 1 2 233.315 1.597 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615730841 368228779 /nfs/dbraw/zinc/22/87/79/368228779.db2.gz BETKYICBTBEZPK-UMBAGQNISA-N 1 2 233.315 1.597 20 0 BDADLO CCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000029918074 368246266 /nfs/dbraw/zinc/24/62/66/368246266.db2.gz JMBXXXPHTNQOCD-UHFFFAOYSA-N 1 2 230.271 1.294 20 0 BDADLO CCc1nocc1C(=O)NCc1[nH+]ccn1CC ZINC000615709907 368217592 /nfs/dbraw/zinc/21/75/92/368217592.db2.gz KRWMUABREQZYHR-UHFFFAOYSA-N 1 2 248.286 1.383 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCc1ccon1 ZINC000615710520 368218992 /nfs/dbraw/zinc/21/89/92/368218992.db2.gz PGPZUNUONDGBKA-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042512080 368310598 /nfs/dbraw/zinc/31/05/98/368310598.db2.gz KJQRUHKMBVRFOZ-QWRGUYRKSA-N 1 2 223.320 1.824 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1nc(C)[nH+]cc1C ZINC000566478380 326055101 /nfs/dbraw/zinc/05/51/01/326055101.db2.gz JFJIKVXFNFDSFC-KCJUWKMLSA-N 1 2 223.320 1.334 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCOC[C@H]1C ZINC000046774134 368450492 /nfs/dbraw/zinc/45/04/92/368450492.db2.gz YGUVJLNZCKSILK-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@H]1C ZINC000046774134 368450497 /nfs/dbraw/zinc/45/04/97/368450497.db2.gz YGUVJLNZCKSILK-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO CC(C)[N@H+](Cc1cnccn1)C1COC1 ZINC000566724149 326076730 /nfs/dbraw/zinc/07/67/30/326076730.db2.gz FYWXXPNQDGOFHV-UHFFFAOYSA-N 1 2 207.277 1.086 20 0 BDADLO CC(C)[N@@H+](Cc1cnccn1)C1COC1 ZINC000566724149 326076732 /nfs/dbraw/zinc/07/67/32/326076732.db2.gz FYWXXPNQDGOFHV-UHFFFAOYSA-N 1 2 207.277 1.086 20 0 BDADLO CCC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057756341 368499433 /nfs/dbraw/zinc/49/94/33/368499433.db2.gz VVXRHLMDIQJEHX-UHFFFAOYSA-N 1 2 249.236 1.814 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000060038164 368535505 /nfs/dbraw/zinc/53/55/05/368535505.db2.gz JWWRMLFTTKVQEB-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000060038164 368535512 /nfs/dbraw/zinc/53/55/12/368535512.db2.gz JWWRMLFTTKVQEB-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccccc1F ZINC000061783788 368570711 /nfs/dbraw/zinc/57/07/11/368570711.db2.gz TUSGGWBXYFPJHL-UHFFFAOYSA-N 1 2 238.306 1.784 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccccc1F ZINC000061783788 368570714 /nfs/dbraw/zinc/57/07/14/368570714.db2.gz TUSGGWBXYFPJHL-UHFFFAOYSA-N 1 2 238.306 1.784 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1CCOCC1 ZINC000063706557 368592161 /nfs/dbraw/zinc/59/21/61/368592161.db2.gz MPODQQCZWAPLJK-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO OCC[N@@H+](Cc1noc(C2CC2)n1)CC1CC1 ZINC000064515990 368606846 /nfs/dbraw/zinc/60/68/46/368606846.db2.gz DPVKEWCGXJSMBN-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO OCC[N@H+](Cc1noc(C2CC2)n1)CC1CC1 ZINC000064515990 368606849 /nfs/dbraw/zinc/60/68/49/368606849.db2.gz DPVKEWCGXJSMBN-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)N1CCC1 ZINC000065603207 368624922 /nfs/dbraw/zinc/62/49/22/368624922.db2.gz KWMQMNDVTDYDKP-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)N1CCC1 ZINC000065603207 368624929 /nfs/dbraw/zinc/62/49/29/368624929.db2.gz KWMQMNDVTDYDKP-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO OCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848424 368663214 /nfs/dbraw/zinc/66/32/14/368663214.db2.gz CSIOMUVBSABYEP-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848424 368663215 /nfs/dbraw/zinc/66/32/15/368663215.db2.gz CSIOMUVBSABYEP-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000071115531 368771663 /nfs/dbraw/zinc/77/16/63/368771663.db2.gz ZOMLRTPYCXUFET-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000071115531 368771667 /nfs/dbraw/zinc/77/16/67/368771667.db2.gz ZOMLRTPYCXUFET-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CC(C)N(C(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000073915630 368821747 /nfs/dbraw/zinc/82/17/47/368821747.db2.gz JGPDWLIPCBLDJU-UHFFFAOYSA-N 1 2 221.304 1.673 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2ncc[nH]2)c2[nH+]ccn21 ZINC000615962362 368798222 /nfs/dbraw/zinc/79/82/22/368798222.db2.gz BWCLHKLPQMCALY-YUMQZZPRSA-N 1 2 231.259 1.042 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)C(F)(F)F ZINC000616203558 369046653 /nfs/dbraw/zinc/04/66/53/369046653.db2.gz ZZMGYAUHKITMQF-UHFFFAOYSA-N 1 2 249.236 1.718 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)C(F)(F)F ZINC000616203558 369046661 /nfs/dbraw/zinc/04/66/61/369046661.db2.gz ZZMGYAUHKITMQF-UHFFFAOYSA-N 1 2 249.236 1.718 20 0 BDADLO COC(=O)C[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000054937374 369116612 /nfs/dbraw/zinc/11/66/12/369116612.db2.gz QHRCPGLREWGMPV-LLVKDONJSA-N 1 2 249.314 1.707 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457845973 203111958 /nfs/dbraw/zinc/11/19/58/203111958.db2.gz BFEWPCYFTYCSFY-WDEREUQCSA-N 1 2 235.331 1.515 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855324 203113423 /nfs/dbraw/zinc/11/34/23/203113423.db2.gz KWWVZXZMFIOKQW-GHMZBOCLSA-N 1 2 237.347 1.761 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855284 203113780 /nfs/dbraw/zinc/11/37/80/203113780.db2.gz KRMOFDWUCBBKPP-WCQYABFASA-N 1 2 235.331 1.515 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457860609 203113789 /nfs/dbraw/zinc/11/37/89/203113789.db2.gz OTOKHSZEDOJKDR-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457871410 203115872 /nfs/dbraw/zinc/11/58/72/203115872.db2.gz NBLRQIKMVUXIRK-DGCLKSJQSA-N 1 2 247.342 1.681 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000457885681 203116395 /nfs/dbraw/zinc/11/63/95/203116395.db2.gz PCABSYAXIUTYNJ-DTORHVGOSA-N 1 2 223.276 1.015 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618500823 369159898 /nfs/dbraw/zinc/15/98/98/369159898.db2.gz VXMQIIWWVKPYPP-WOPDTQHZSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000618510575 369163179 /nfs/dbraw/zinc/16/31/79/369163179.db2.gz RFSSBSVGTVTJSI-RWMBFGLXSA-N 1 2 247.342 1.826 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2CC(C)C)c[nH+]1 ZINC000457988885 203124208 /nfs/dbraw/zinc/12/42/08/203124208.db2.gz JQTCTRUOKBSDEF-NXEZZACHSA-N 1 2 221.304 1.883 20 0 BDADLO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000618618340 369187083 /nfs/dbraw/zinc/18/70/83/369187083.db2.gz IGRVEUOYAGPCIO-VHSXEESVSA-N 1 2 239.271 1.333 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459299260 203249669 /nfs/dbraw/zinc/24/96/69/203249669.db2.gz JMAJVKDRNSTSGN-MNOVXSKESA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459299260 203249673 /nfs/dbraw/zinc/24/96/73/203249673.db2.gz JMAJVKDRNSTSGN-MNOVXSKESA-N 1 2 247.342 1.963 20 0 BDADLO CCC(CC)([NH2+]CCc1cn[nH]c1)C(=O)OC ZINC000459401133 203273690 /nfs/dbraw/zinc/27/36/90/203273690.db2.gz IGFXUYDJPVOFGR-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COCCOC1C[NH+](Cc2ccsc2)C1 ZINC000459459389 203285747 /nfs/dbraw/zinc/28/57/47/203285747.db2.gz HLHGFPGHCMTXCR-UHFFFAOYSA-N 1 2 227.329 1.595 20 0 BDADLO COCCOC1C[NH+](Cc2scnc2C)C1 ZINC000459473768 203288177 /nfs/dbraw/zinc/28/81/77/203288177.db2.gz VFRUUPUUNYWTIP-UHFFFAOYSA-N 1 2 242.344 1.299 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000459484491 203290624 /nfs/dbraw/zinc/29/06/24/203290624.db2.gz CZKRFCZLTGWKCX-SNVBAGLBSA-N 1 2 234.299 1.853 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1ncccc1C(=O)OC ZINC000459484491 203290626 /nfs/dbraw/zinc/29/06/26/203290626.db2.gz CZKRFCZLTGWKCX-SNVBAGLBSA-N 1 2 234.299 1.853 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[C@H]2C1 ZINC000619351643 369320093 /nfs/dbraw/zinc/32/00/93/369320093.db2.gz JIOPXECZAQGENX-TUAOUCFPSA-N 1 2 245.326 1.314 20 0 BDADLO CCOC1C[NH+](C/C=C/c2ccncc2)C1 ZINC000459602761 203310184 /nfs/dbraw/zinc/31/01/84/203310184.db2.gz FQCFIAMMMQXQIH-ONEGZZNKSA-N 1 2 218.300 1.816 20 0 BDADLO CC(F)(F)CCNC(=O)Cn1cc[nH+]c1 ZINC000567742441 326254028 /nfs/dbraw/zinc/25/40/28/326254028.db2.gz FRTWRMBKZHOAPG-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO CCOC1C[NH+](Cc2cnn(CC(C)C)c2)C1 ZINC000459602785 203313306 /nfs/dbraw/zinc/31/33/06/203313306.db2.gz GBCYCYXQHCGBDM-UHFFFAOYSA-N 1 2 237.347 1.760 20 0 BDADLO CCc1ccc(C[NH2+]CC(F)F)cn1 ZINC000459550475 203299153 /nfs/dbraw/zinc/29/91/53/203299153.db2.gz TVQQURKHHJIFNA-UHFFFAOYSA-N 1 2 200.232 1.999 20 0 BDADLO CC[C@@](COC)([NH2+]CC[C@@H](C)F)C(=O)OC ZINC000459567077 203304227 /nfs/dbraw/zinc/30/42/27/203304227.db2.gz ZXQHHSUFNWOUOP-KOLCDFICSA-N 1 2 235.299 1.292 20 0 BDADLO CCC(F)(F)CNCc1[nH]cc(C)[nH+]1 ZINC000623679161 369379108 /nfs/dbraw/zinc/37/91/08/369379108.db2.gz KONNMTCVJHKOPV-UHFFFAOYSA-N 1 2 203.236 1.853 20 0 BDADLO CCOC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC000459613066 203316637 /nfs/dbraw/zinc/31/66/37/203316637.db2.gz VFYAQWCWSQNRRU-UHFFFAOYSA-N 1 2 234.343 1.973 20 0 BDADLO CC(C)n1cc(C[NH+]2CC(C)(CO)C2)cn1 ZINC000459620462 203319214 /nfs/dbraw/zinc/31/92/14/203319214.db2.gz LHMCYLWQFALDST-UHFFFAOYSA-N 1 2 223.320 1.278 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccccn2)C1 ZINC000459619835 203319912 /nfs/dbraw/zinc/31/99/12/203319912.db2.gz KQFQYVUNGMHSNI-UHFFFAOYSA-N 1 2 206.289 1.692 20 0 BDADLO COCC1(O)C[NH+](Cc2coc3ccccc23)C1 ZINC000459631529 203323329 /nfs/dbraw/zinc/32/33/29/203323329.db2.gz CTDGFDLALBJYAW-UHFFFAOYSA-N 1 2 247.294 1.626 20 0 BDADLO Cc1c[nH+]c(CN2CC(OC(F)F)C2)n1C ZINC000459629961 203325096 /nfs/dbraw/zinc/32/50/96/203325096.db2.gz OAXPPQLRQVISJQ-UHFFFAOYSA-N 1 2 231.246 1.152 20 0 BDADLO CN(CCO)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631030098 370959664 /nfs/dbraw/zinc/95/96/64/370959664.db2.gz JRLHYTBRMXTAPE-UHFFFAOYSA-N 1 2 232.287 1.264 20 0 BDADLO COCCOCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459732654 203344182 /nfs/dbraw/zinc/34/41/82/203344182.db2.gz MIEAXWVHRHVIII-UHFFFAOYSA-N 1 2 239.290 1.804 20 0 BDADLO COCCOCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459732654 203344186 /nfs/dbraw/zinc/34/41/86/203344186.db2.gz MIEAXWVHRHVIII-UHFFFAOYSA-N 1 2 239.290 1.804 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000259932745 370955850 /nfs/dbraw/zinc/95/58/50/370955850.db2.gz HTMFUFKBVULHGU-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cccnc1 ZINC000259932745 370955853 /nfs/dbraw/zinc/95/58/53/370955853.db2.gz HTMFUFKBVULHGU-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459763146 203361195 /nfs/dbraw/zinc/36/11/95/203361195.db2.gz ANOQFDPHDFWHSF-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO COC[C@@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459778885 203364936 /nfs/dbraw/zinc/36/49/36/203364936.db2.gz ZZYSYAGEBMFVEG-LBPRGKRZSA-N 1 2 241.718 1.663 20 0 BDADLO COC[C@@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459778885 203364940 /nfs/dbraw/zinc/36/49/40/203364940.db2.gz ZZYSYAGEBMFVEG-LBPRGKRZSA-N 1 2 241.718 1.663 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cn[nH]c1 ZINC000260219463 370984318 /nfs/dbraw/zinc/98/43/18/370984318.db2.gz VWRFRAAWKZSHCZ-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cn[nH]c1 ZINC000260219463 370984321 /nfs/dbraw/zinc/98/43/21/370984321.db2.gz VWRFRAAWKZSHCZ-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000459784555 203368686 /nfs/dbraw/zinc/36/86/86/203368686.db2.gz XJTUBOGMCINYNE-WOPDTQHZSA-N 1 2 243.347 1.731 20 0 BDADLO CCOCCCNC(=O)CCCn1cc[nH+]c1 ZINC000620411830 369867718 /nfs/dbraw/zinc/86/77/18/369867718.db2.gz RQGSXTXMBNJVOP-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO C[C@H](NC(=O)C[C@H]1CCCO1)c1[nH+]ccn1C ZINC000620597535 369949405 /nfs/dbraw/zinc/94/94/05/369949405.db2.gz WXOLAZORXHYTHE-VHSXEESVSA-N 1 2 237.303 1.166 20 0 BDADLO CCc1nc(C(=O)N[C@@H](C)c2[nH+]ccn2C)co1 ZINC000620602775 369950509 /nfs/dbraw/zinc/95/05/09/369950509.db2.gz ALGGYPYSKFNCLG-QMMMGPOBSA-N 1 2 248.286 1.462 20 0 BDADLO Cc1ccncc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620601330 369950728 /nfs/dbraw/zinc/95/07/28/369950728.db2.gz WATVYWRVFRGXTE-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO C[C@@H](NC(=O)COC(C)(C)C)c1[nH+]ccn1C ZINC000620603462 369951601 /nfs/dbraw/zinc/95/16/01/369951601.db2.gz IOBRJFXCDGMSLY-SECBINFHSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CCCO1)c1[nH+]ccn1C ZINC000620603243 369951865 /nfs/dbraw/zinc/95/18/65/369951865.db2.gz IVDYWZMZHGVYQK-SKDRFNHKSA-N 1 2 237.303 1.166 20 0 BDADLO CCn1nccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603398 369952163 /nfs/dbraw/zinc/95/21/63/369952163.db2.gz HMNSKDZPGBIFPG-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605245 369953082 /nfs/dbraw/zinc/95/30/82/369953082.db2.gz ZHSOHAVBYGDJSQ-VHSXEESVSA-N 1 2 239.319 1.412 20 0 BDADLO COC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCC1 ZINC000620604296 369953518 /nfs/dbraw/zinc/95/35/18/369953518.db2.gz QJRGCRPUUKQMEL-VIFPVBQESA-N 1 2 237.303 1.166 20 0 BDADLO Cc1ccnc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000620605688 369953996 /nfs/dbraw/zinc/95/39/96/369953996.db2.gz IURXZZJKCPMJHD-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H](NC(=O)C1CCC1)c1[nH+]ccn1C ZINC000620592678 369945272 /nfs/dbraw/zinc/94/52/72/369945272.db2.gz VHNUCDALDSULII-MRVPVSSYSA-N 1 2 207.277 1.397 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c(C)[nH]1 ZINC000620594422 369946191 /nfs/dbraw/zinc/94/61/91/369946191.db2.gz AGVSKLSUAXJOPL-JTQLQIEISA-N 1 2 246.314 1.856 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)no1 ZINC000620593093 369946240 /nfs/dbraw/zinc/94/62/40/369946240.db2.gz WIZJKPNASSQRRN-QMMMGPOBSA-N 1 2 234.259 1.208 20 0 BDADLO Cc1nccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000620597268 369948128 /nfs/dbraw/zinc/94/81/28/369948128.db2.gz WCQXVRLRRAEAEK-QMMMGPOBSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H]1SCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000074679677 370002336 /nfs/dbraw/zinc/00/23/36/370002336.db2.gz QQQIDPCXTJDIJF-UWVGGRQHSA-N 1 2 239.344 1.236 20 0 BDADLO CC1(C)CC(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000620738084 369984811 /nfs/dbraw/zinc/98/48/11/369984811.db2.gz BKYJCAVVPAQBGG-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075779887 370172019 /nfs/dbraw/zinc/17/20/19/370172019.db2.gz WVKNSFNXXGHOMG-HTQZYQBOSA-N 1 2 213.281 1.142 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000075779887 370172026 /nfs/dbraw/zinc/17/20/26/370172026.db2.gz WVKNSFNXXGHOMG-HTQZYQBOSA-N 1 2 213.281 1.142 20 0 BDADLO CCC[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621256436 370187689 /nfs/dbraw/zinc/18/76/89/370187689.db2.gz GCAPERRIAZRSPG-SECBINFHSA-N 1 2 223.320 1.992 20 0 BDADLO C[N@H+](Cc1cncc(Cl)c1)[C@H]1CCNC1=O ZINC000621270918 370202728 /nfs/dbraw/zinc/20/27/28/370202728.db2.gz OYWGZFXAHWKFKJ-JTQLQIEISA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1cncc(Cl)c1)[C@H]1CCNC1=O ZINC000621270918 370202733 /nfs/dbraw/zinc/20/27/33/370202733.db2.gz OYWGZFXAHWKFKJ-JTQLQIEISA-N 1 2 239.706 1.055 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)O ZINC000309833334 370267627 /nfs/dbraw/zinc/26/76/27/370267627.db2.gz ZFBASCYUIOCABZ-MRVPVSSYSA-N 1 2 221.304 1.925 20 0 BDADLO Cc1nccnc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000621345769 370280600 /nfs/dbraw/zinc/28/06/00/370280600.db2.gz WDGARWUKKMZPJI-LBPRGKRZSA-N 1 2 249.339 1.670 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000621348805 370283795 /nfs/dbraw/zinc/28/37/95/370283795.db2.gz FGQKVSLRRWQHSZ-TVQRCGJNSA-N 1 2 249.358 1.857 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000621348803 370283861 /nfs/dbraw/zinc/28/38/61/370283861.db2.gz FGQKVSLRRWQHSZ-NOZJJQNGSA-N 1 2 249.358 1.857 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000621348804 370283923 /nfs/dbraw/zinc/28/39/23/370283923.db2.gz FGQKVSLRRWQHSZ-RNCFNFMXSA-N 1 2 249.358 1.857 20 0 BDADLO O=S1(=O)Cc2ccccc2[C@H]([NH2+]CCF)C1 ZINC000621355432 370291709 /nfs/dbraw/zinc/29/17/09/370291709.db2.gz MLSKOZMGRLUXTA-LLVKDONJSA-N 1 2 243.303 1.215 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373434 370312554 /nfs/dbraw/zinc/31/25/54/370312554.db2.gz IIKVQUIDDKZJRY-BBBLOLIVSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373434 370312559 /nfs/dbraw/zinc/31/25/59/370312559.db2.gz IIKVQUIDDKZJRY-BBBLOLIVSA-N 1 2 241.360 1.549 20 0 BDADLO CC[C@H](C)[C@@H](CNc1nc(C)[nH+]cc1C)OC ZINC000568248959 326334842 /nfs/dbraw/zinc/33/48/42/326334842.db2.gz BZFLRQPYFIGQIE-JOYOIKCWSA-N 1 2 237.347 1.988 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621475159 370368490 /nfs/dbraw/zinc/36/84/90/370368490.db2.gz YTNYOVIEHSTCMW-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CCNC(=O)C[NH2+]Cc1csc(C2CC2)n1 ZINC000113314138 370401346 /nfs/dbraw/zinc/40/13/46/370401346.db2.gz QUFMHEMHNPYBMF-UHFFFAOYSA-N 1 2 239.344 1.246 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nccnc1C ZINC000621709748 370454517 /nfs/dbraw/zinc/45/45/17/370454517.db2.gz CLMTWKQKZPKLLR-ZYHUDNBSSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nccnc1C ZINC000621709748 370454521 /nfs/dbraw/zinc/45/45/21/370454521.db2.gz CLMTWKQKZPKLLR-ZYHUDNBSSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000621721580 370471793 /nfs/dbraw/zinc/47/17/93/370471793.db2.gz UDGZBPLJKDPINY-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000621721580 370471800 /nfs/dbraw/zinc/47/18/00/370471800.db2.gz UDGZBPLJKDPINY-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccnc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000621721383 370472418 /nfs/dbraw/zinc/47/24/18/370472418.db2.gz MSFPKKOMDXWHSL-ONGXEEELSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccnc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000621721383 370472424 /nfs/dbraw/zinc/47/24/24/370472424.db2.gz MSFPKKOMDXWHSL-ONGXEEELSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOCC12CC2 ZINC000621726263 370478936 /nfs/dbraw/zinc/47/89/36/370478936.db2.gz QBHPWUYQVMNDCS-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOCC12CC2 ZINC000621726263 370478940 /nfs/dbraw/zinc/47/89/40/370478940.db2.gz QBHPWUYQVMNDCS-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000621722239 370473778 /nfs/dbraw/zinc/47/37/78/370473778.db2.gz PHXNWFVKXZQGDX-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1nccnc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000621722239 370473782 /nfs/dbraw/zinc/47/37/82/370473782.db2.gz PHXNWFVKXZQGDX-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000621732289 370487611 /nfs/dbraw/zinc/48/76/11/370487611.db2.gz VTCKNUSMXQYNPO-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000621732289 370487613 /nfs/dbraw/zinc/48/76/13/370487613.db2.gz VTCKNUSMXQYNPO-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000078679736 370588555 /nfs/dbraw/zinc/58/85/55/370588555.db2.gz HKXUWYUBKPTGOW-SSDOTTSWSA-N 1 2 220.276 1.865 20 0 BDADLO Cc1cc(C)c(CNC(=O)Cc2cc[nH]n2)c[nH+]1 ZINC000622667704 371046768 /nfs/dbraw/zinc/04/67/68/371046768.db2.gz PJRFRUBLLQHLPR-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO O=C(CNc1cc2ccccc2c[nH+]1)NC1CC1 ZINC000631047973 371062696 /nfs/dbraw/zinc/06/26/96/371062696.db2.gz RRZMOHWALZRQEO-UHFFFAOYSA-N 1 2 241.294 1.925 20 0 BDADLO COc1ccc[nH+]c1N1CCC(NC(C)=O)CC1 ZINC000623910229 371151789 /nfs/dbraw/zinc/15/17/89/371151789.db2.gz FIJCLLZNPRNTBE-UHFFFAOYSA-N 1 2 249.314 1.195 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C1CC1)CC2 ZINC000623994141 371228121 /nfs/dbraw/zinc/22/81/21/371228121.db2.gz PHPSTIRZMPLZCF-JTQLQIEISA-N 1 2 233.315 1.375 20 0 BDADLO CCCc1nc(C[N@H+](C)C(C)(C)CO)no1 ZINC000124786249 371236009 /nfs/dbraw/zinc/23/60/09/371236009.db2.gz SJQPQJKZYNRJRX-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)C(C)(C)CO)no1 ZINC000124786249 371236016 /nfs/dbraw/zinc/23/60/16/371236016.db2.gz SJQPQJKZYNRJRX-UHFFFAOYSA-N 1 2 227.308 1.225 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000624221937 371409488 /nfs/dbraw/zinc/40/94/88/371409488.db2.gz LMFDZMXZRMIPNM-LJUAHTATSA-N 1 2 235.331 1.936 20 0 BDADLO COCCCCN(C)c1[nH+]cccc1OC ZINC000624287101 371458610 /nfs/dbraw/zinc/45/86/10/371458610.db2.gz RWIOBYUVWBMGMV-UHFFFAOYSA-N 1 2 224.304 1.953 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)C)CC2 ZINC000624564061 371542672 /nfs/dbraw/zinc/54/26/72/371542672.db2.gz OGEUTTDNHKTDHQ-NSHDSACASA-N 1 2 249.358 1.916 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000627368397 371584519 /nfs/dbraw/zinc/58/45/19/371584519.db2.gz SUVQPPMMRUZHGK-VIFPVBQESA-N 1 2 235.331 1.977 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000627368397 371584523 /nfs/dbraw/zinc/58/45/23/371584523.db2.gz SUVQPPMMRUZHGK-VIFPVBQESA-N 1 2 235.331 1.977 20 0 BDADLO COC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000627370911 371587541 /nfs/dbraw/zinc/58/75/41/371587541.db2.gz QHMCMDPZUHWVEM-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO COC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000627370911 371587545 /nfs/dbraw/zinc/58/75/45/371587545.db2.gz QHMCMDPZUHWVEM-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO COc1ccc(NC2CCC(O)CC2)[nH+]c1 ZINC000226949239 371758917 /nfs/dbraw/zinc/75/89/17/371758917.db2.gz TUTXCRUALOSCQT-UHFFFAOYSA-N 1 2 222.288 1.806 20 0 BDADLO CC/C=C/CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627603833 371774047 /nfs/dbraw/zinc/77/40/47/371774047.db2.gz IQOAZZOSFKILON-ITKZLYELSA-N 1 2 247.342 1.836 20 0 BDADLO CCC[C@@H](C)[C@H]1CCCN1c1nc(C)[nH+]c(N)n1 ZINC000631169811 372216214 /nfs/dbraw/zinc/21/62/14/372216214.db2.gz JDXSKSIGGBJTOZ-MWLCHTKSSA-N 1 2 249.362 1.998 20 0 BDADLO CCC[C@@H](C)[C@H]1CCCN1c1nc(N)nc(C)[nH+]1 ZINC000631169811 372216216 /nfs/dbraw/zinc/21/62/16/372216216.db2.gz JDXSKSIGGBJTOZ-MWLCHTKSSA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nocc1C[NH2+]Cc1conc1C ZINC000631208500 372236968 /nfs/dbraw/zinc/23/69/68/372236968.db2.gz BLYVSITWCVJEDK-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO FC(F)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631140200 372206898 /nfs/dbraw/zinc/20/68/98/372206898.db2.gz XDFQATUNBLKBMA-UHFFFAOYSA-N 1 2 238.241 1.934 20 0 BDADLO CC1(C(N)=O)CN(c2cc3ccccc3c[nH+]2)C1 ZINC000631324979 372296817 /nfs/dbraw/zinc/29/68/17/372296817.db2.gz VKXMGJSLYNQCSM-UHFFFAOYSA-N 1 2 241.294 1.546 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@@H]2C2CC2)nc(N)[nH+]1 ZINC000631300039 372285094 /nfs/dbraw/zinc/28/50/94/372285094.db2.gz ZNZJFRVPASKYMD-GHMZBOCLSA-N 1 2 247.346 1.253 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCC[C@@H]2C2CC2)[nH+]1 ZINC000631300039 372285101 /nfs/dbraw/zinc/28/51/01/372285101.db2.gz ZNZJFRVPASKYMD-GHMZBOCLSA-N 1 2 247.346 1.253 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NC/C=C\CO)[nH+]1 ZINC000631355298 372311676 /nfs/dbraw/zinc/31/16/76/372311676.db2.gz HRQPDSPBHOPQAZ-ARJAWSKDSA-N 1 2 246.314 1.993 20 0 BDADLO COc1ccnc(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000631374338 372322483 /nfs/dbraw/zinc/32/24/83/372322483.db2.gz LTZZUOJUCDMLJX-UHFFFAOYSA-N 1 2 247.302 1.529 20 0 BDADLO Cc1nc(NCC[C@@H]2CC=CCC2)nc(N)[nH+]1 ZINC000631389387 372330436 /nfs/dbraw/zinc/33/04/36/372330436.db2.gz RJGKKSFJGNYGAT-SNVBAGLBSA-N 1 2 233.319 1.173 20 0 BDADLO Cc1nc(N)nc(NCC[C@@H]2CC=CCC2)[nH+]1 ZINC000631389387 372330443 /nfs/dbraw/zinc/33/04/43/372330443.db2.gz RJGKKSFJGNYGAT-SNVBAGLBSA-N 1 2 233.319 1.173 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NCC2COC2)[nH+]1 ZINC000631392608 372332884 /nfs/dbraw/zinc/33/28/84/372332884.db2.gz VSSIJYLFUSIWBE-UHFFFAOYSA-N 1 2 246.314 1.562 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000631414007 372346557 /nfs/dbraw/zinc/34/65/57/372346557.db2.gz NYORGPIHTHEYBC-NWDGAFQWSA-N 1 2 249.314 1.089 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000631414007 372346564 /nfs/dbraw/zinc/34/65/64/372346564.db2.gz NYORGPIHTHEYBC-NWDGAFQWSA-N 1 2 249.314 1.089 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(C)(F)CC1 ZINC000631514282 372402579 /nfs/dbraw/zinc/40/25/79/372402579.db2.gz GPPPKTMBTONJMI-UHFFFAOYSA-N 1 2 240.282 1.396 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(C)(F)CC1 ZINC000631514282 372402585 /nfs/dbraw/zinc/40/25/85/372402585.db2.gz GPPPKTMBTONJMI-UHFFFAOYSA-N 1 2 240.282 1.396 20 0 BDADLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)NC ZINC000632344447 372893461 /nfs/dbraw/zinc/89/34/61/372893461.db2.gz CQHJBVGPXHZNCB-SNVBAGLBSA-N 1 2 236.319 1.769 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(F)F ZINC000172250376 372920341 /nfs/dbraw/zinc/92/03/41/372920341.db2.gz AKBDNZPCHUMQJA-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(F)F ZINC000172250376 372920348 /nfs/dbraw/zinc/92/03/48/372920348.db2.gz AKBDNZPCHUMQJA-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H]1CSCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000172590397 373018495 /nfs/dbraw/zinc/01/84/95/373018495.db2.gz IOWUCVYKNLXXHK-VIFPVBQESA-N 1 2 231.361 1.765 20 0 BDADLO C[C@H]1CSCC[N@H+]1CC(=O)OC(C)(C)C ZINC000172590397 373018503 /nfs/dbraw/zinc/01/85/03/373018503.db2.gz IOWUCVYKNLXXHK-VIFPVBQESA-N 1 2 231.361 1.765 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NC1CCC1 ZINC000264377419 182059305 /nfs/dbraw/zinc/05/93/05/182059305.db2.gz DRIAFBRNMNUADV-UHFFFAOYSA-N 1 2 229.283 1.546 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000285785076 182070895 /nfs/dbraw/zinc/07/08/95/182070895.db2.gz LOPPZBDMMXBUHG-RYUDHWBXSA-N 1 2 249.314 1.053 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc2n(n1)CCCC2 ZINC000286297497 182071760 /nfs/dbraw/zinc/07/17/60/182071760.db2.gz VNCFYJHUZCHFGN-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000274890902 182081208 /nfs/dbraw/zinc/08/12/08/182081208.db2.gz RHKGNIONQCSDPC-SNVBAGLBSA-N 1 2 249.314 1.031 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC=CC1 ZINC000633115327 373297064 /nfs/dbraw/zinc/29/70/64/373297064.db2.gz PNMJSRRQZHTNSN-UHFFFAOYSA-N 1 2 220.276 1.270 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875329 182113284 /nfs/dbraw/zinc/11/32/84/182113284.db2.gz UACOVTCDBSOAML-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO O=C(NC1CCCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875329 182113286 /nfs/dbraw/zinc/11/32/86/182113286.db2.gz UACOVTCDBSOAML-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO O=C(NC1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000290729026 182113397 /nfs/dbraw/zinc/11/33/97/182113397.db2.gz VUWCDJFNHPRNQJ-UHFFFAOYSA-N 1 2 248.330 1.741 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCC12CC2 ZINC000633412381 373536259 /nfs/dbraw/zinc/53/62/59/373536259.db2.gz GOLOAGLJNKRANA-NSHDSACASA-N 1 2 248.330 1.884 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCC12CC2 ZINC000633412381 373536269 /nfs/dbraw/zinc/53/62/69/373536269.db2.gz GOLOAGLJNKRANA-NSHDSACASA-N 1 2 248.330 1.884 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336368982 182143903 /nfs/dbraw/zinc/14/39/03/182143903.db2.gz ZGHXMQDHUFDYKD-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO Cc1ccc(CNC(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000633495625 373576789 /nfs/dbraw/zinc/57/67/89/373576789.db2.gz HGYVDGPCJLVYHP-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO Cc1ccc(CNC(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000633495625 373576796 /nfs/dbraw/zinc/57/67/96/373576796.db2.gz HGYVDGPCJLVYHP-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO Cc1nocc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000633650775 373660535 /nfs/dbraw/zinc/66/05/35/373660535.db2.gz YNPBFFBVVXVTCY-QMMMGPOBSA-N 1 2 234.259 1.208 20 0 BDADLO O=C(NCCCCNc1cccc[nH+]1)C1CC1 ZINC000354137754 182164334 /nfs/dbraw/zinc/16/43/34/182164334.db2.gz GPUHATHMKLJMLO-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC12CC2 ZINC000633768521 373736041 /nfs/dbraw/zinc/73/60/41/373736041.db2.gz IVNKPEDECOTQSP-LLVKDONJSA-N 1 2 233.315 1.722 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1C[C@@H]1C1CC1 ZINC000362320922 182177573 /nfs/dbraw/zinc/17/75/73/182177573.db2.gz RGUOJOFWWACMEZ-VXGBXAGGSA-N 1 2 248.330 1.371 20 0 BDADLO CCC[C@@H](CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000633831417 373785184 /nfs/dbraw/zinc/78/51/84/373785184.db2.gz SVSBAMKMDZRKDD-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO O=C(NCCNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000264639221 182188449 /nfs/dbraw/zinc/18/84/49/182188449.db2.gz MJBYTWUELYCUDY-UHFFFAOYSA-N 1 2 246.314 1.292 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1=COCCC1 ZINC000264533576 182188488 /nfs/dbraw/zinc/18/84/88/182188488.db2.gz ZEFBQWUBVZXSKC-UHFFFAOYSA-N 1 2 247.298 1.304 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccc[nH]1 ZINC000357721131 182188770 /nfs/dbraw/zinc/18/87/70/182188770.db2.gz KNZMHOREUASTGA-UHFFFAOYSA-N 1 2 230.271 1.252 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CCCC2 ZINC000353596844 182215596 /nfs/dbraw/zinc/21/55/96/182215596.db2.gz ABKLYDTYHORRMQ-NSHDSACASA-N 1 2 233.315 1.580 20 0 BDADLO Cc1sccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000634215033 374034020 /nfs/dbraw/zinc/03/40/20/374034020.db2.gz GIMUKGAQBWICNF-JTQLQIEISA-N 1 2 240.328 1.326 20 0 BDADLO Cc1sccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000634215033 374034031 /nfs/dbraw/zinc/03/40/31/374034031.db2.gz GIMUKGAQBWICNF-JTQLQIEISA-N 1 2 240.328 1.326 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCCS1 ZINC000273018659 182216250 /nfs/dbraw/zinc/21/62/50/182216250.db2.gz YXTQCWQEUBSLQN-SNVBAGLBSA-N 1 2 239.344 1.285 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc2[nH]ccc2s1 ZINC000356005636 182273266 /nfs/dbraw/zinc/27/32/66/182273266.db2.gz SXOJIYZIZJAAPU-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccnc(C2CC2)c1 ZINC000341306447 182273291 /nfs/dbraw/zinc/27/32/91/182273291.db2.gz IYIDBSWWDFBYMW-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccoc1C1CC1 ZINC000337009469 182270782 /nfs/dbraw/zinc/27/07/82/182270782.db2.gz DUWJNQCMUPBVRF-UHFFFAOYSA-N 1 2 231.255 1.810 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccoc1C1CC1 ZINC000337009469 182270785 /nfs/dbraw/zinc/27/07/85/182270785.db2.gz DUWJNQCMUPBVRF-UHFFFAOYSA-N 1 2 231.255 1.810 20 0 BDADLO O[C@H](C[NH+]1CC(O)(C(F)F)C1)C1CCCCC1 ZINC000424128840 206031796 /nfs/dbraw/zinc/03/17/96/206031796.db2.gz CMYTZTMLBONTBW-SNVBAGLBSA-N 1 2 249.301 1.239 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@@H](C)OC)[C@@H](C)C1 ZINC000336762915 170035196 /nfs/dbraw/zinc/03/51/96/170035196.db2.gz OHSUKLKRGXUWHX-TUAOUCFPSA-N 1 2 214.353 1.341 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC(C)(C)O)[C@@H](C)C1 ZINC000309026360 170036052 /nfs/dbraw/zinc/03/60/52/170036052.db2.gz AUHDEALGFSRACZ-QWRGUYRKSA-N 1 2 214.353 1.077 20 0 BDADLO CCn1cc(C[N@H+](CC)C2COC2)cn1 ZINC000449426835 206097452 /nfs/dbraw/zinc/09/74/52/206097452.db2.gz QKDBHPFTFSPRSE-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[N@@H+](CC)C2COC2)cn1 ZINC000449426835 206097456 /nfs/dbraw/zinc/09/74/56/206097456.db2.gz QKDBHPFTFSPRSE-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336519845 182324691 /nfs/dbraw/zinc/32/46/91/182324691.db2.gz MLYBIOWEEDDAPJ-DTWKUNHWSA-N 1 2 230.258 1.209 20 0 BDADLO COC(=O)[C@@H]([N@@H+]1CC[C@H](F)C1)C1(OC)CCC1 ZINC000459493214 206132140 /nfs/dbraw/zinc/13/21/40/206132140.db2.gz YRSVJAPRCRELGW-VHSXEESVSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]([N@H+]1CC[C@H](F)C1)C1(OC)CCC1 ZINC000459493214 206132146 /nfs/dbraw/zinc/13/21/46/206132146.db2.gz YRSVJAPRCRELGW-VHSXEESVSA-N 1 2 245.294 1.141 20 0 BDADLO CC[C@](COC)([NH2+][C@H]1C=CCCC1)C(=O)OC ZINC000459580544 206135177 /nfs/dbraw/zinc/13/51/77/206135177.db2.gz BEOAHVKFYNFJCW-WCQYABFASA-N 1 2 241.331 1.653 20 0 BDADLO O=C(c1ccon1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101862055 182694157 /nfs/dbraw/zinc/69/41/57/182694157.db2.gz DDRKEEVVRRLKDL-UHFFFAOYSA-N 1 2 246.270 1.348 20 0 BDADLO O=c1sccn1Cc1[nH+]ccn1C(F)F ZINC000122067394 183014113 /nfs/dbraw/zinc/01/41/13/183014113.db2.gz WGLOIADXZZCKDZ-UHFFFAOYSA-N 1 2 231.227 1.550 20 0 BDADLO OC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340660453 183031488 /nfs/dbraw/zinc/03/14/88/183031488.db2.gz RXFOAHJEEAIQOH-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO OC1(c2ccccc2)C[NH+](Cc2ccncc2)C1 ZINC000285786537 183022773 /nfs/dbraw/zinc/02/27/73/183022773.db2.gz SWMFKEAPYVTLJD-UHFFFAOYSA-N 1 2 240.306 1.785 20 0 BDADLO OCCC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000302417192 183042514 /nfs/dbraw/zinc/04/25/14/183042514.db2.gz IDACSQHKCBBXLB-UHFFFAOYSA-N 1 2 233.315 1.929 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000183895125 183035027 /nfs/dbraw/zinc/03/50/27/183035027.db2.gz PLTRJJCPAXOOGZ-UHFFFAOYSA-N 1 2 240.253 1.885 20 0 BDADLO OCCCCNc1cc[nH+]c2ccncc12 ZINC000278756467 183052100 /nfs/dbraw/zinc/05/21/00/183052100.db2.gz NFMCPSVXONCJNS-UHFFFAOYSA-N 1 2 217.272 1.814 20 0 BDADLO OCCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000120964422 183057459 /nfs/dbraw/zinc/05/74/59/183057459.db2.gz OQRYCWUKOMYVSW-LLVKDONJSA-N 1 2 211.261 1.035 20 0 BDADLO OCCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000120964422 183057461 /nfs/dbraw/zinc/05/74/61/183057461.db2.gz OQRYCWUKOMYVSW-LLVKDONJSA-N 1 2 211.261 1.035 20 0 BDADLO OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272554590 183077006 /nfs/dbraw/zinc/07/70/06/183077006.db2.gz PEUZQZNPOGJWQB-UHFFFAOYSA-N 1 2 243.310 1.223 20 0 BDADLO OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272554590 183077010 /nfs/dbraw/zinc/07/70/10/183077010.db2.gz PEUZQZNPOGJWQB-UHFFFAOYSA-N 1 2 243.310 1.223 20 0 BDADLO OCCO[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000125512922 183088672 /nfs/dbraw/zinc/08/86/72/183088672.db2.gz ASBNFLXBMLFUJR-JTQLQIEISA-N 1 2 242.344 1.116 20 0 BDADLO OCCO[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000125512922 183088675 /nfs/dbraw/zinc/08/86/75/183088675.db2.gz ASBNFLXBMLFUJR-JTQLQIEISA-N 1 2 242.344 1.116 20 0 BDADLO OCC[C@@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000336698347 183092323 /nfs/dbraw/zinc/09/23/23/183092323.db2.gz JUBYYOAQVJRPND-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO OCC[C@@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000336698347 183092324 /nfs/dbraw/zinc/09/23/24/183092324.db2.gz JUBYYOAQVJRPND-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO OCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000177704905 183069475 /nfs/dbraw/zinc/06/94/75/183069475.db2.gz CLDYXZRGKUPMKC-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO OCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000177704905 183069476 /nfs/dbraw/zinc/06/94/76/183069476.db2.gz CLDYXZRGKUPMKC-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO OC[C@@H]1CC(F)(F)CN1c1cccc[nH+]1 ZINC000368719068 183115495 /nfs/dbraw/zinc/11/54/95/183115495.db2.gz MPTLQUYMQZQFJR-QMMMGPOBSA-N 1 2 214.215 1.288 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1nccnc1Cl ZINC000095078534 183116811 /nfs/dbraw/zinc/11/68/11/183116811.db2.gz PHSVHPSISIUDAT-VIFPVBQESA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1nccnc1Cl ZINC000095078534 183116813 /nfs/dbraw/zinc/11/68/13/183116813.db2.gz PHSVHPSISIUDAT-VIFPVBQESA-N 1 2 241.722 1.477 20 0 BDADLO OCC[C@]1(CNc2cccc[nH+]2)CCOC1 ZINC000131675357 183099129 /nfs/dbraw/zinc/09/91/29/183099129.db2.gz FSJXXBXQOZJWAH-GFCCVEGCSA-N 1 2 222.288 1.283 20 0 BDADLO CCCC[C@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000105931603 169011866 /nfs/dbraw/zinc/01/18/66/169011866.db2.gz ATEVSMCJCBFPHD-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO OC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1 ZINC000265203916 183108994 /nfs/dbraw/zinc/10/89/94/183108994.db2.gz BRISHCQKWXOWAQ-GFCCVEGCSA-N 1 2 235.262 1.372 20 0 BDADLO OC[C@H]([NH2+]Cc1ncccn1)c1ccc(F)cc1 ZINC000361748296 183141608 /nfs/dbraw/zinc/14/16/08/183141608.db2.gz QSAUZINBUDBDAT-LBPRGKRZSA-N 1 2 247.273 1.439 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCCCCF ZINC000367451125 183146355 /nfs/dbraw/zinc/14/63/55/183146355.db2.gz PXHKNZCIYCJXMY-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCCCCF ZINC000367451125 183146357 /nfs/dbraw/zinc/14/63/57/183146357.db2.gz PXHKNZCIYCJXMY-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cc(F)ncc1F ZINC000291500596 183150134 /nfs/dbraw/zinc/15/01/34/183150134.db2.gz VEJYSLIMBMFHFR-SECBINFHSA-N 1 2 228.242 1.317 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cc(F)ncc1F ZINC000291500596 183150136 /nfs/dbraw/zinc/15/01/36/183150136.db2.gz VEJYSLIMBMFHFR-SECBINFHSA-N 1 2 228.242 1.317 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000050682674 183151227 /nfs/dbraw/zinc/15/12/27/183151227.db2.gz DJQNKROCFKYZCK-VIFPVBQESA-N 1 2 245.273 1.483 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000050682674 183151230 /nfs/dbraw/zinc/15/12/30/183151230.db2.gz DJQNKROCFKYZCK-VIFPVBQESA-N 1 2 245.273 1.483 20 0 BDADLO OC[C@]1(F)CCC[N@H+](CCC(F)(F)F)C1 ZINC000367881911 183158321 /nfs/dbraw/zinc/15/83/21/183158321.db2.gz WFHMLKNKHVMXTD-QMMMGPOBSA-N 1 2 229.217 1.735 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](CCC(F)(F)F)C1 ZINC000367881911 183158323 /nfs/dbraw/zinc/15/83/23/183158323.db2.gz WFHMLKNKHVMXTD-QMMMGPOBSA-N 1 2 229.217 1.735 20 0 BDADLO OCc1csc(CNc2cccc[nH+]2)n1 ZINC000308862050 183170539 /nfs/dbraw/zinc/17/05/39/183170539.db2.gz APALQEXJARBRBA-UHFFFAOYSA-N 1 2 221.285 1.643 20 0 BDADLO O[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000266303663 183196294 /nfs/dbraw/zinc/19/62/94/183196294.db2.gz YWJRKIBPFZFYRG-WDEREUQCSA-N 1 2 233.315 1.927 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000290466342 183199655 /nfs/dbraw/zinc/19/96/55/183199655.db2.gz PVRFYDWKXNCJHY-MRVPVSSYSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000290466342 183199658 /nfs/dbraw/zinc/19/96/58/183199658.db2.gz PVRFYDWKXNCJHY-MRVPVSSYSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000360909345 183199675 /nfs/dbraw/zinc/19/96/75/183199675.db2.gz HAFIBDQNYBPTCF-LLVKDONJSA-N 1 2 248.330 1.057 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000360909345 183199678 /nfs/dbraw/zinc/19/96/78/183199678.db2.gz HAFIBDQNYBPTCF-LLVKDONJSA-N 1 2 248.330 1.057 20 0 BDADLO O[C@H](CC[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000289405880 183218876 /nfs/dbraw/zinc/21/88/76/183218876.db2.gz HEKYODIUUNRZHB-CYBMUJFWSA-N 1 2 231.299 1.623 20 0 BDADLO O[C@H](CN1CCC[C@@H]1c1[nH]cc[nH+]1)C(F)(F)F ZINC000332409521 183222279 /nfs/dbraw/zinc/22/22/79/183222279.db2.gz NCQAMWNUOAPSTN-HTQZYQBOSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409521 183222281 /nfs/dbraw/zinc/22/22/81/183222281.db2.gz NCQAMWNUOAPSTN-HTQZYQBOSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[N@H+]1CCC[C@@H]1c1ncc[nH]1)C(F)(F)F ZINC000332409521 183222283 /nfs/dbraw/zinc/22/22/83/183222283.db2.gz NCQAMWNUOAPSTN-HTQZYQBOSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000036900336 183224260 /nfs/dbraw/zinc/22/42/60/183224260.db2.gz OFSNDXQVVKWNFP-GFCCVEGCSA-N 1 2 217.272 1.233 20 0 BDADLO O[C@H](C[NH2+]Cc1csnn1)c1ccsc1 ZINC000133233407 183225079 /nfs/dbraw/zinc/22/50/79/183225079.db2.gz ATPSMEIIKGVAJU-SECBINFHSA-N 1 2 241.341 1.423 20 0 BDADLO O[C@H](CNc1cccc[nH+]1)C(F)(F)F ZINC000223239552 183226901 /nfs/dbraw/zinc/22/69/01/183226901.db2.gz OVNSNEPITLWZBQ-ZCFIWIBFSA-N 1 2 206.167 1.417 20 0 BDADLO CCCN(CC(=O)N(C)C)c1cc(C)[nH+]cn1 ZINC000301248288 169093121 /nfs/dbraw/zinc/09/31/21/169093121.db2.gz QYKGCTOQJXZTFE-UHFFFAOYSA-N 1 2 236.319 1.090 20 0 BDADLO CCCN(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338151470 169111004 /nfs/dbraw/zinc/11/10/04/169111004.db2.gz QGJMZDPOYRAZHK-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000128171607 183240084 /nfs/dbraw/zinc/24/00/84/183240084.db2.gz AZEJVICRDHDBDF-QMMMGPOBSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000128171607 183240086 /nfs/dbraw/zinc/24/00/86/183240086.db2.gz AZEJVICRDHDBDF-QMMMGPOBSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@H]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000276928371 183241043 /nfs/dbraw/zinc/24/10/43/183241043.db2.gz PNEXSKIRDDDGGG-KOLCDFICSA-N 1 2 233.315 1.927 20 0 BDADLO O[C@H]1C[NH+](Cc2cc(F)ccc2Cl)C[C@@H]1O ZINC000236591866 183243870 /nfs/dbraw/zinc/24/38/70/183243870.db2.gz MWXKIEQMZMVIPQ-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)CC1 ZINC000331552608 183235258 /nfs/dbraw/zinc/23/52/58/183235258.db2.gz BNNRZLPDXLKIOM-ZETCQYMHSA-N 1 2 247.245 1.354 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)CC1 ZINC000331552608 183235259 /nfs/dbraw/zinc/23/52/59/183235259.db2.gz BNNRZLPDXLKIOM-ZETCQYMHSA-N 1 2 247.245 1.354 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC000333489307 183306848 /nfs/dbraw/zinc/30/68/48/183306848.db2.gz GNEQEHGHXYBAAR-SNVBAGLBSA-N 1 2 236.319 1.522 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC000333489307 183306852 /nfs/dbraw/zinc/30/68/52/183306852.db2.gz GNEQEHGHXYBAAR-SNVBAGLBSA-N 1 2 236.319 1.522 20 0 BDADLO Oc1cccc(CNCC[NH+]2CCC2)c1Cl ZINC000339315722 183290401 /nfs/dbraw/zinc/29/04/01/183290401.db2.gz HNHZKUDEVFBOCE-UHFFFAOYSA-N 1 2 240.734 1.841 20 0 BDADLO CCC[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000047496531 169166040 /nfs/dbraw/zinc/16/60/40/169166040.db2.gz NRPZZVPZEKSUST-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CCC[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000047496531 169166042 /nfs/dbraw/zinc/16/60/42/169166042.db2.gz NRPZZVPZEKSUST-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CCC[N@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361923807 169180867 /nfs/dbraw/zinc/18/08/67/169180867.db2.gz DNBPHTJPKWBAOM-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO CCC[N@@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361923807 169180869 /nfs/dbraw/zinc/18/08/69/169180869.db2.gz DNBPHTJPKWBAOM-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO c1c[nH+]c(CNc2cc3n(n2)CCCC3)[nH]1 ZINC000285577413 183324426 /nfs/dbraw/zinc/32/44/26/183324426.db2.gz UUXRIISUHNJFLZ-UHFFFAOYSA-N 1 2 217.276 1.555 20 0 BDADLO c1c[nH+]c(CN2CCOC3(CCC3)C2)[nH]1 ZINC000154209983 183324880 /nfs/dbraw/zinc/32/48/80/183324880.db2.gz HGHUOFCHDZDXCH-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO c1c[nH+]c(CNc2ccc(OC3COC3)cc2)[nH]1 ZINC000186496877 183325345 /nfs/dbraw/zinc/32/53/45/183325345.db2.gz UYUDKLITBGXSOD-UHFFFAOYSA-N 1 2 245.282 1.799 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000377585778 183307680 /nfs/dbraw/zinc/30/76/80/183307680.db2.gz RVBGKTRZOPRJRZ-SECBINFHSA-N 1 2 236.319 1.632 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C3CCCC3)C2)[nH]1 ZINC000377585778 183307683 /nfs/dbraw/zinc/30/76/83/183307683.db2.gz RVBGKTRZOPRJRZ-SECBINFHSA-N 1 2 236.319 1.632 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356100891 169223295 /nfs/dbraw/zinc/22/32/95/169223295.db2.gz TYDARBFENSHDOW-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356100891 169223297 /nfs/dbraw/zinc/22/32/97/169223297.db2.gz TYDARBFENSHDOW-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO c1c[nH+]c(C2CCN(Cc3cc[nH]n3)CC2)[nH]1 ZINC000283990551 183339043 /nfs/dbraw/zinc/33/90/43/183339043.db2.gz MTMZEKQZTIWJEW-UHFFFAOYSA-N 1 2 231.303 1.512 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)on1 ZINC000285210732 183345534 /nfs/dbraw/zinc/34/55/34/183345534.db2.gz DQDZBJBHWVHBOH-GFCCVEGCSA-N 1 2 238.287 1.056 20 0 BDADLO c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)on1 ZINC000285210732 183345536 /nfs/dbraw/zinc/34/55/36/183345536.db2.gz DQDZBJBHWVHBOH-GFCCVEGCSA-N 1 2 238.287 1.056 20 0 BDADLO c1cc(CSCC[NH+]2CCOCC2)on1 ZINC000270479006 183354778 /nfs/dbraw/zinc/35/47/78/183354778.db2.gz AKNJQQLQABLMBO-UHFFFAOYSA-N 1 2 228.317 1.240 20 0 BDADLO c1cc(N2CC3(C2)CCCOC3)nc(C2CC2)[nH+]1 ZINC000340987154 183356140 /nfs/dbraw/zinc/35/61/40/183356140.db2.gz VOWMFUPCXKFOFX-UHFFFAOYSA-N 1 2 245.326 1.971 20 0 BDADLO c1cn(-c2cccc(N[C@@H]3CCCOC3)n2)c[nH+]1 ZINC000366459424 183334764 /nfs/dbraw/zinc/33/47/64/183334764.db2.gz WHJJIDAKXWGZRR-LLVKDONJSA-N 1 2 244.298 1.280 20 0 BDADLO CCCNC(=O)CN(CCC)Cc1[nH]cc[nH+]1 ZINC000111203929 169221583 /nfs/dbraw/zinc/22/15/83/169221583.db2.gz MGTLZXWHASXENU-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000295856435 183335846 /nfs/dbraw/zinc/33/58/46/183335846.db2.gz BQMYIXOTVXPNIP-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000295856435 183335850 /nfs/dbraw/zinc/33/58/50/183335850.db2.gz BQMYIXOTVXPNIP-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000295856435 183335852 /nfs/dbraw/zinc/33/58/52/183335852.db2.gz BQMYIXOTVXPNIP-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1cc2ccc(C[NH2+]Cc3cocn3)nc2[nH]1 ZINC000353222964 183375573 /nfs/dbraw/zinc/37/55/73/183375573.db2.gz HWPXBBPZITXDSE-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295676636 183360671 /nfs/dbraw/zinc/36/06/71/183360671.db2.gz BVFHDEGUECPFEG-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295676636 183360674 /nfs/dbraw/zinc/36/06/74/183360674.db2.gz BVFHDEGUECPFEG-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295676636 183360676 /nfs/dbraw/zinc/36/06/76/183360676.db2.gz BVFHDEGUECPFEG-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295676636 183360679 /nfs/dbraw/zinc/36/06/79/183360679.db2.gz BVFHDEGUECPFEG-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295676636 183360680 /nfs/dbraw/zinc/36/06/80/183360680.db2.gz BVFHDEGUECPFEG-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295676636 183360684 /nfs/dbraw/zinc/36/06/84/183360684.db2.gz BVFHDEGUECPFEG-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1ccc(CC[N@@H+]2CCO[C@H]3C[C@H]32)nc1 ZINC000368327518 183392542 /nfs/dbraw/zinc/39/25/42/183392542.db2.gz GEWMALIEZHOERW-NEPJUHHUSA-N 1 2 204.273 1.097 20 0 BDADLO c1ccc(CC[N@H+]2CCO[C@H]3C[C@H]32)nc1 ZINC000368327518 183392545 /nfs/dbraw/zinc/39/25/45/183392545.db2.gz GEWMALIEZHOERW-NEPJUHHUSA-N 1 2 204.273 1.097 20 0 BDADLO c1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000358679243 183412495 /nfs/dbraw/zinc/41/24/95/183412495.db2.gz IVDRAWCCIDONOC-UHFFFAOYSA-N 1 2 239.282 1.571 20 0 BDADLO CCCOC(=O)CCNc1cc(C)[nH+]cn1 ZINC000301222482 169297626 /nfs/dbraw/zinc/29/76/26/169297626.db2.gz CLLZLICVMXTFCS-UHFFFAOYSA-N 1 2 223.276 1.540 20 0 BDADLO c1cn(CCNc2cnc3ccccc3n2)c[nH+]1 ZINC000052076634 183458845 /nfs/dbraw/zinc/45/88/45/183458845.db2.gz LWOZFJCKXZHDPR-UHFFFAOYSA-N 1 2 239.282 1.938 20 0 BDADLO CCC[C@@H](CC)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278182246 169380175 /nfs/dbraw/zinc/38/01/75/169380175.db2.gz DCOXAFYQUNICLK-MRVPVSSYSA-N 1 2 248.334 1.936 20 0 BDADLO c1nc(N[C@H]2CCCOC2)cc(NCC2CC2)[nH+]1 ZINC000270302524 183534322 /nfs/dbraw/zinc/53/43/22/183534322.db2.gz PRKLWSBITWOOAS-NSHDSACASA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC2CC2)cc(N[C@H]2CCCOC2)[nH+]1 ZINC000270302524 183534326 /nfs/dbraw/zinc/53/43/26/183534326.db2.gz PRKLWSBITWOOAS-NSHDSACASA-N 1 2 248.330 1.889 20 0 BDADLO COCc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000182391727 134344975 /nfs/dbraw/zinc/34/49/75/134344975.db2.gz BUSBXWMVGKZULN-NXEZZACHSA-N 1 2 239.319 1.694 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H](CC)OC)C(=O)OCC ZINC000336667000 169510431 /nfs/dbraw/zinc/51/04/31/169510431.db2.gz LYIIGNOEQJXLBR-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccco1 ZINC000225620639 134352951 /nfs/dbraw/zinc/35/29/51/134352951.db2.gz KKDYYCWEXLYDPA-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000183664184 134355470 /nfs/dbraw/zinc/35/54/70/134355470.db2.gz IHGLYOPGKXUFPK-TUAOUCFPSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1oncc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000560002863 383836297 /nfs/dbraw/zinc/83/62/97/383836297.db2.gz UBJRABOJQIIULF-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1oncc1C[N@H+](C)Cc1cnn(C)c1C ZINC000560002863 383836304 /nfs/dbraw/zinc/83/63/04/383836304.db2.gz UBJRABOJQIIULF-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)C(F)(F)F)cs1 ZINC000070169025 383870466 /nfs/dbraw/zinc/87/04/66/383870466.db2.gz LCZBUXMNKXREKU-SSDOTTSWSA-N 1 2 240.250 1.464 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@@H](O)CC ZINC000313134850 383920390 /nfs/dbraw/zinc/92/03/90/383920390.db2.gz DVGYKMUBCMYKRL-ZJUUUORDSA-N 1 2 249.318 1.325 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000088357731 383894193 /nfs/dbraw/zinc/89/41/93/383894193.db2.gz FMIMUCOJSPSRLE-LBPRGKRZSA-N 1 2 234.299 1.230 20 0 BDADLO COC(C)(C)C[N@H+](C)[C@H](C)c1csnn1 ZINC000560220347 383979255 /nfs/dbraw/zinc/97/92/55/383979255.db2.gz BDOHQOJZUYTWRI-MRVPVSSYSA-N 1 2 229.349 1.956 20 0 BDADLO COC(C)(C)C[N@@H+](C)[C@H](C)c1csnn1 ZINC000560220347 383979259 /nfs/dbraw/zinc/97/92/59/383979259.db2.gz BDOHQOJZUYTWRI-MRVPVSSYSA-N 1 2 229.349 1.956 20 0 BDADLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000070733098 383962373 /nfs/dbraw/zinc/96/23/73/383962373.db2.gz KROFLWXAPFHZAP-QMMMGPOBSA-N 1 2 248.373 1.228 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCSC1 ZINC000070818997 383964349 /nfs/dbraw/zinc/96/43/49/383964349.db2.gz ZWKFEYPLSDROJR-MRVPVSSYSA-N 1 2 225.317 1.121 20 0 BDADLO CC[C@@H](NCc1c[nH+]cn1C)C(F)F ZINC000449360492 383975827 /nfs/dbraw/zinc/97/58/27/383975827.db2.gz JOHNNQUJAVMZRY-MRVPVSSYSA-N 1 2 203.236 1.553 20 0 BDADLO COC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000073416124 384025774 /nfs/dbraw/zinc/02/57/74/384025774.db2.gz OAUYGNQFFMLUDV-LURJTMIESA-N 1 2 227.289 1.021 20 0 BDADLO CN(CC(C)(C)O)c1cc[nH+]c(C2CC2)n1 ZINC000114710220 384050832 /nfs/dbraw/zinc/05/08/32/384050832.db2.gz PHZDVKAHUOALQV-UHFFFAOYSA-N 1 2 221.304 1.561 20 0 BDADLO C[N@H+](CCO)Cc1nc(C2CCCC2)no1 ZINC000305179336 384085764 /nfs/dbraw/zinc/08/57/64/384085764.db2.gz BMANFXQYBYLYDG-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[N@@H+](CCO)Cc1nc(C2CCCC2)no1 ZINC000305179336 384085767 /nfs/dbraw/zinc/08/57/67/384085767.db2.gz BMANFXQYBYLYDG-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CO[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000115160024 384071604 /nfs/dbraw/zinc/07/16/04/384071604.db2.gz ZZKPBMKUBVNECK-SNVBAGLBSA-N 1 2 237.303 1.035 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C(=O)OC ZINC000308738697 384097393 /nfs/dbraw/zinc/09/73/93/384097393.db2.gz NBPBRGZINCRPDO-YIZRAAEISA-N 1 2 203.257 1.418 20 0 BDADLO CC(C)c1noc(C[N@H+](CCO)C2CCC2)n1 ZINC000221166873 384099139 /nfs/dbraw/zinc/09/91/39/384099139.db2.gz NVQJCNIKEFIXBA-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@@H+](CCO)C2CCC2)n1 ZINC000221166873 384099140 /nfs/dbraw/zinc/09/91/40/384099140.db2.gz NVQJCNIKEFIXBA-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000050048380 384100480 /nfs/dbraw/zinc/10/04/80/384100480.db2.gz MQKXHZOIAOLDQK-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000050048380 384100488 /nfs/dbraw/zinc/10/04/88/384100488.db2.gz MQKXHZOIAOLDQK-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO Cc1cc(NC[C@H](CO)C2CC2)nc(C(C)C)[nH+]1 ZINC000357812149 384112688 /nfs/dbraw/zinc/11/26/88/384112688.db2.gz RDZLWVDOMKPKDW-GFCCVEGCSA-N 1 2 249.358 1.761 20 0 BDADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccs1 ZINC000074755502 384138623 /nfs/dbraw/zinc/13/86/23/384138623.db2.gz ZVONDGFIMWACRS-SECBINFHSA-N 1 2 224.329 1.524 20 0 BDADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccs1 ZINC000074755502 384138626 /nfs/dbraw/zinc/13/86/26/384138626.db2.gz ZVONDGFIMWACRS-SECBINFHSA-N 1 2 224.329 1.524 20 0 BDADLO COC(=O)C[N@H+](C)CCc1scnc1C ZINC000050285519 384174635 /nfs/dbraw/zinc/17/46/35/384174635.db2.gz JPOBDHOWNHBLPJ-UHFFFAOYSA-N 1 2 228.317 1.099 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1scnc1C ZINC000050285519 384174639 /nfs/dbraw/zinc/17/46/39/384174639.db2.gz JPOBDHOWNHBLPJ-UHFFFAOYSA-N 1 2 228.317 1.099 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000092013279 384159523 /nfs/dbraw/zinc/15/95/23/384159523.db2.gz LIHYLQADTOZTBN-MWLCHTKSSA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000092013279 384159531 /nfs/dbraw/zinc/15/95/31/384159531.db2.gz LIHYLQADTOZTBN-MWLCHTKSSA-N 1 2 239.271 1.042 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)C[C@H]2C)on1 ZINC000574338076 384177096 /nfs/dbraw/zinc/17/70/96/384177096.db2.gz ABPQAPIPNOETMF-BBBLOLIVSA-N 1 2 237.303 1.793 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000560508948 384179971 /nfs/dbraw/zinc/17/99/71/384179971.db2.gz KNPADYCXFAJTLD-GHMZBOCLSA-N 1 2 249.301 1.912 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000560508948 384179979 /nfs/dbraw/zinc/17/99/79/384179979.db2.gz KNPADYCXFAJTLD-GHMZBOCLSA-N 1 2 249.301 1.912 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnnn2C)s1 ZINC000093049251 384208373 /nfs/dbraw/zinc/20/83/73/384208373.db2.gz NRZLFKWCGNRKLE-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnnn2C)s1 ZINC000093049251 384208377 /nfs/dbraw/zinc/20/83/77/384208377.db2.gz NRZLFKWCGNRKLE-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1scnc1C ZINC000093050650 384206826 /nfs/dbraw/zinc/20/68/26/384206826.db2.gz QSWIRFQIFVGYRS-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1scnc1C ZINC000093050650 384206832 /nfs/dbraw/zinc/20/68/32/384206832.db2.gz QSWIRFQIFVGYRS-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cnn(C)c2)[nH+]c1C ZINC000628121852 384188282 /nfs/dbraw/zinc/18/82/82/384188282.db2.gz YRNPTFKSPISGMH-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cnc(C3CC3)o2)cn1 ZINC000628121811 384188964 /nfs/dbraw/zinc/18/89/64/384188964.db2.gz WQHLIDROKZWYMC-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cnc(C3CC3)o2)cn1 ZINC000628121811 384188969 /nfs/dbraw/zinc/18/89/69/384188969.db2.gz WQHLIDROKZWYMC-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)o1 ZINC000092703096 384189982 /nfs/dbraw/zinc/18/99/82/384189982.db2.gz COEJPWSGXLIRGN-OLZOCXBDSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)o1 ZINC000092703096 384189986 /nfs/dbraw/zinc/18/99/86/384189986.db2.gz COEJPWSGXLIRGN-OLZOCXBDSA-N 1 2 248.326 1.831 20 0 BDADLO COc1cc(NCCCCn2cc[nH+]c2)ncn1 ZINC000090790430 384192383 /nfs/dbraw/zinc/19/23/83/384192383.db2.gz ALLYBMVXYLSBAH-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000093050733 384207686 /nfs/dbraw/zinc/20/76/86/384207686.db2.gz OKLNQAWPDMYLBS-JTQLQIEISA-N 1 2 224.329 1.459 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000093050733 384207691 /nfs/dbraw/zinc/20/76/91/384207691.db2.gz OKLNQAWPDMYLBS-JTQLQIEISA-N 1 2 224.329 1.459 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)Cc1cccs1 ZINC000118390608 384200516 /nfs/dbraw/zinc/20/05/16/384200516.db2.gz IFSPTHMFUAWTII-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)Cc1cccs1 ZINC000118390608 384200518 /nfs/dbraw/zinc/20/05/18/384200518.db2.gz IFSPTHMFUAWTII-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccco1 ZINC000093416705 384235828 /nfs/dbraw/zinc/23/58/28/384235828.db2.gz AOBJWXJPRIYZIL-JTQLQIEISA-N 1 2 245.344 1.535 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000093416705 384235832 /nfs/dbraw/zinc/23/58/32/384235832.db2.gz AOBJWXJPRIYZIL-JTQLQIEISA-N 1 2 245.344 1.535 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)COC(C)(C)C ZINC000158389848 384224698 /nfs/dbraw/zinc/22/46/98/384224698.db2.gz SIFQENWACDDVCZ-SNVBAGLBSA-N 1 2 239.319 1.203 20 0 BDADLO C[N@H+](CC(=O)NCC1CC1)Cc1cccnc1 ZINC000119016020 384228591 /nfs/dbraw/zinc/22/85/91/384228591.db2.gz HFBLOZZIRUKMPP-UHFFFAOYSA-N 1 2 233.315 1.040 20 0 BDADLO C[N@@H+](CC(=O)NCC1CC1)Cc1cccnc1 ZINC000119016020 384228599 /nfs/dbraw/zinc/22/85/99/384228599.db2.gz HFBLOZZIRUKMPP-UHFFFAOYSA-N 1 2 233.315 1.040 20 0 BDADLO FC(F)(F)COCCCn1cc[nH+]c1 ZINC000082615228 384249736 /nfs/dbraw/zinc/24/97/36/384249736.db2.gz GCBWHLCJHOREMF-UHFFFAOYSA-N 1 2 208.183 1.852 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132853476 384258267 /nfs/dbraw/zinc/25/82/67/384258267.db2.gz GCCUTIAZCWCYRW-QMMMGPOBSA-N 1 2 225.313 1.668 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132853476 384258270 /nfs/dbraw/zinc/25/82/70/384258270.db2.gz GCCUTIAZCWCYRW-QMMMGPOBSA-N 1 2 225.313 1.668 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccoc1 ZINC000043078381 384262602 /nfs/dbraw/zinc/26/26/02/384262602.db2.gz IWUCBURVIOEFOF-UHFFFAOYSA-N 1 2 231.255 1.517 20 0 BDADLO CC(C)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000132990099 384265693 /nfs/dbraw/zinc/26/56/93/384265693.db2.gz LXBPMTDGYOCMIU-UHFFFAOYSA-N 1 2 233.315 1.443 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(C(C)(C)C)no1 ZINC000135420058 384273364 /nfs/dbraw/zinc/27/33/64/384273364.db2.gz NAAWJIJZLSCMCT-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(C(C)(C)C)no1 ZINC000135420058 384273369 /nfs/dbraw/zinc/27/33/69/384273369.db2.gz NAAWJIJZLSCMCT-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)[C@H](C)CO)C(=O)OC ZINC000300007798 384275492 /nfs/dbraw/zinc/27/54/92/384275492.db2.gz GHSQBVCQZFWKFW-VWYCJHECSA-N 1 2 231.336 1.325 20 0 BDADLO O=[S@](Cc1cn2ccccc2[nH+]1)CC1CC1 ZINC000133752011 384311617 /nfs/dbraw/zinc/31/16/17/384311617.db2.gz MYCJPHXNARPGTE-MRXNPFEDSA-N 1 2 234.324 1.993 20 0 BDADLO CS[C@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000158897060 384284973 /nfs/dbraw/zinc/28/49/73/384284973.db2.gz ZVEDVPTVNPJPPD-SECBINFHSA-N 1 2 227.333 1.141 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448697 384286964 /nfs/dbraw/zinc/28/69/64/384286964.db2.gz CHJUQMLBYMZREW-QMMMGPOBSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448697 384286969 /nfs/dbraw/zinc/28/69/69/384286969.db2.gz CHJUQMLBYMZREW-QMMMGPOBSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000074448626 384288730 /nfs/dbraw/zinc/28/87/30/384288730.db2.gz ZJVOUEDMUWNENC-MRVPVSSYSA-N 1 2 238.718 1.572 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000074448626 384288733 /nfs/dbraw/zinc/28/87/33/384288733.db2.gz ZJVOUEDMUWNENC-MRVPVSSYSA-N 1 2 238.718 1.572 20 0 BDADLO OCc1cc[nH+]c(N2CCC3(CC3)C2)c1 ZINC000400453884 384289074 /nfs/dbraw/zinc/28/90/74/384289074.db2.gz OIBONENCZBQMCC-UHFFFAOYSA-N 1 2 204.273 1.564 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000119615675 384290982 /nfs/dbraw/zinc/29/09/82/384290982.db2.gz FKFNENKXBWRJOY-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000119615675 384290985 /nfs/dbraw/zinc/29/09/85/384290985.db2.gz FKFNENKXBWRJOY-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO CC[C@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000642704014 384349005 /nfs/dbraw/zinc/34/90/05/384349005.db2.gz LXXUYXSRJZEXLB-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000642704014 384349014 /nfs/dbraw/zinc/34/90/14/384349014.db2.gz LXXUYXSRJZEXLB-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CNc1ccc(Nc2ccnc(C)n2)c[nH+]1 ZINC000174689670 384350539 /nfs/dbraw/zinc/35/05/39/384350539.db2.gz MLBPYZUYDYJEQD-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cnccn1 ZINC000533475806 384356052 /nfs/dbraw/zinc/35/60/52/384356052.db2.gz VYUWRVRKJCVEJS-UHFFFAOYSA-N 1 2 204.233 1.097 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cnccn1 ZINC000533475806 384356056 /nfs/dbraw/zinc/35/60/56/384356056.db2.gz VYUWRVRKJCVEJS-UHFFFAOYSA-N 1 2 204.233 1.097 20 0 BDADLO CCc1cc(N)nc(SCCC[C@H](C)O)[nH+]1 ZINC000330364504 384370652 /nfs/dbraw/zinc/37/06/52/384370652.db2.gz PVIHVAQQZQOBLP-QMMMGPOBSA-N 1 2 241.360 1.705 20 0 BDADLO O=C(CCC(F)(F)F)NCc1[nH]cc[nH+]1 ZINC000084124133 384371793 /nfs/dbraw/zinc/37/17/93/384371793.db2.gz OVTRWQSBSKATCM-UHFFFAOYSA-N 1 2 221.182 1.368 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000120033255 384326750 /nfs/dbraw/zinc/32/67/50/384326750.db2.gz PJBMFIFRNSOFHK-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000120033255 384326757 /nfs/dbraw/zinc/32/67/57/384326757.db2.gz PJBMFIFRNSOFHK-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO C[C@@H](c1c(F)cccc1F)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712313 384393024 /nfs/dbraw/zinc/39/30/24/384393024.db2.gz OSNMHTIKTGIXAA-SWPVVBRQSA-N 1 2 243.253 1.063 20 0 BDADLO COC(=O)C[N@H+](Cc1ccncc1)C1CCCC1 ZINC000134883522 384398145 /nfs/dbraw/zinc/39/81/45/384398145.db2.gz QLFAXWCQTJAHDK-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccncc1)C1CCCC1 ZINC000134883522 384398149 /nfs/dbraw/zinc/39/81/49/384398149.db2.gz QLFAXWCQTJAHDK-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC2CCCC2)c1 ZINC000313462692 384402924 /nfs/dbraw/zinc/40/29/24/384402924.db2.gz QOKTUDSELHNBMO-UHFFFAOYSA-N 1 2 236.319 1.204 20 0 BDADLO C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)C[C@@H]1F ZINC000335631961 384407551 /nfs/dbraw/zinc/40/75/51/384407551.db2.gz FFRYBYDYDANHAV-OIBJUYFYSA-N 1 2 209.224 1.181 20 0 BDADLO C[N@H+](CC[C@@H]1CCOC1=O)Cc1nccs1 ZINC000120803325 384384115 /nfs/dbraw/zinc/38/41/15/384384115.db2.gz LVUNBEVVCNFTIU-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1nccs1 ZINC000120803325 384384122 /nfs/dbraw/zinc/38/41/22/384384122.db2.gz LVUNBEVVCNFTIU-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO Cc1cc(N[C@@H]2CO[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000402006575 384390707 /nfs/dbraw/zinc/39/07/07/384390707.db2.gz AGTNWBCRZVNISN-MNOVXSKESA-N 1 2 235.331 1.920 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000175028533 384391022 /nfs/dbraw/zinc/39/10/22/384391022.db2.gz VGRSTSSLQPMFRI-GRYCIOLGSA-N 1 2 240.347 1.105 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000175028533 384391025 /nfs/dbraw/zinc/39/10/25/384391025.db2.gz VGRSTSSLQPMFRI-GRYCIOLGSA-N 1 2 240.347 1.105 20 0 BDADLO Cc1cccc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000302631704 384448236 /nfs/dbraw/zinc/44/82/36/384448236.db2.gz QTEKBMQBSFPRPW-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1cccc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000302631704 384448242 /nfs/dbraw/zinc/44/82/42/384448242.db2.gz QTEKBMQBSFPRPW-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000564702804 384455828 /nfs/dbraw/zinc/45/58/28/384455828.db2.gz ABJQZFKGQQTWTG-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000564702804 384455836 /nfs/dbraw/zinc/45/58/36/384455836.db2.gz ABJQZFKGQQTWTG-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1CCOC1 ZINC000135253271 384428347 /nfs/dbraw/zinc/42/83/47/384428347.db2.gz PAYVTQNLAWOCAM-DTWKUNHWSA-N 1 2 247.302 1.200 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ccoc1 ZINC000647174951 384464838 /nfs/dbraw/zinc/46/48/38/384464838.db2.gz RMSBVDHDQBTQCN-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccon2)C[C@@H]1C ZINC000249047576 384470318 /nfs/dbraw/zinc/47/03/18/384470318.db2.gz HOVSWVXWINBYRD-GXSJLCMTSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccon2)C[C@@H]1C ZINC000249047576 384470320 /nfs/dbraw/zinc/47/03/20/384470320.db2.gz HOVSWVXWINBYRD-GXSJLCMTSA-N 1 2 238.287 1.306 20 0 BDADLO c1[nH]cc(NCc2ccc3c(n2)CCC3)[nH+]1 ZINC000556787868 384480073 /nfs/dbraw/zinc/48/00/73/384480073.db2.gz AXJOKSDUFOUGKV-UHFFFAOYSA-N 1 2 214.272 1.906 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000568207506 384504799 /nfs/dbraw/zinc/50/47/99/384504799.db2.gz IOSLEYXVFRMKMN-VHSXEESVSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000568207506 384504803 /nfs/dbraw/zinc/50/48/03/384504803.db2.gz IOSLEYXVFRMKMN-VHSXEESVSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCCC(=O)N2)c(C)[nH+]1 ZINC000270381728 384534769 /nfs/dbraw/zinc/53/47/69/384534769.db2.gz PSKYZJHSNSUMPM-LLVKDONJSA-N 1 2 247.298 1.306 20 0 BDADLO C[C@@H](CC(=O)NCC1CCC1)n1cc[nH+]c1 ZINC000521051630 384517313 /nfs/dbraw/zinc/51/73/13/384517313.db2.gz FKMNWHNKITVLAJ-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H]1CCCCO1 ZINC000122896143 384519149 /nfs/dbraw/zinc/51/91/49/384519149.db2.gz IUYFQIWRLANXDI-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H]1CCCCO1 ZINC000122896143 384519154 /nfs/dbraw/zinc/51/91/54/384519154.db2.gz IUYFQIWRLANXDI-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO COC(=O)C1(NC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000183960125 384543067 /nfs/dbraw/zinc/54/30/67/384543067.db2.gz FDPOVMUNAXVLSH-UHFFFAOYSA-N 1 2 249.270 1.217 20 0 BDADLO c1cc(N[C@@H]2CC23CC3)nc(C2CC2)[nH+]1 ZINC000335104706 384549924 /nfs/dbraw/zinc/54/99/24/384549924.db2.gz IVXCFDYZYMSSAC-SECBINFHSA-N 1 2 201.273 1.740 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccccn2)o1 ZINC000176134408 384554916 /nfs/dbraw/zinc/55/49/16/384554916.db2.gz HUODACHYMVUFPM-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccccn2)o1 ZINC000176134408 384554925 /nfs/dbraw/zinc/55/49/25/384554925.db2.gz HUODACHYMVUFPM-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1cc(NC[C@@H]2CCCSC2)nc[nH+]1 ZINC000335885807 384557153 /nfs/dbraw/zinc/55/71/53/384557153.db2.gz ZSIQOZBMUSAROJ-JTQLQIEISA-N 1 2 223.345 1.762 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000566122140 384557497 /nfs/dbraw/zinc/55/74/97/384557497.db2.gz YORIJKBCNYYETI-SNVBAGLBSA-N 1 2 245.269 1.671 20 0 BDADLO COC[C@H](NCc1[nH]cc[nH+]1)c1ccco1 ZINC000080239312 384540675 /nfs/dbraw/zinc/54/06/75/384540675.db2.gz AOZZJDYQKUTWNW-VIFPVBQESA-N 1 2 221.260 1.480 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccs1 ZINC000049956407 384579135 /nfs/dbraw/zinc/57/91/35/384579135.db2.gz PZOCAYGRFRABNZ-QMMMGPOBSA-N 1 2 213.302 1.741 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccs1 ZINC000049956407 384579145 /nfs/dbraw/zinc/57/91/45/384579145.db2.gz PZOCAYGRFRABNZ-QMMMGPOBSA-N 1 2 213.302 1.741 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1 ZINC000050048257 384586831 /nfs/dbraw/zinc/58/68/31/384586831.db2.gz WSZPYTHRWQFAGY-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1 ZINC000050048257 384586839 /nfs/dbraw/zinc/58/68/39/384586839.db2.gz WSZPYTHRWQFAGY-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)no1 ZINC000172655152 384615832 /nfs/dbraw/zinc/61/58/32/384615832.db2.gz NVDHZZJFKIUKKF-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)no1 ZINC000172655152 384615841 /nfs/dbraw/zinc/61/58/41/384615841.db2.gz NVDHZZJFKIUKKF-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO CCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523680358 259654893 /nfs/dbraw/zinc/65/48/93/259654893.db2.gz ODVVEVZTMULEGL-UHFFFAOYSA-N 1 2 207.277 1.457 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cccc(F)c1F ZINC000050417776 384624646 /nfs/dbraw/zinc/62/46/46/384624646.db2.gz QKZLTOPCTNARNE-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000647350685 384630627 /nfs/dbraw/zinc/63/06/27/384630627.db2.gz NQYHEIALXVUCFA-KHQFGBGNSA-N 1 2 209.293 1.546 20 0 BDADLO CSC[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000172471678 384594363 /nfs/dbraw/zinc/59/43/63/384594363.db2.gz CRYPFRQCQAUJOL-VIFPVBQESA-N 1 2 249.339 1.816 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000103148717 384597947 /nfs/dbraw/zinc/59/79/47/384597947.db2.gz NRJQUGYPUBAYQX-ZDUSSCGKSA-N 1 2 249.310 1.369 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000103148717 384597952 /nfs/dbraw/zinc/59/79/52/384597952.db2.gz NRJQUGYPUBAYQX-ZDUSSCGKSA-N 1 2 249.310 1.369 20 0 BDADLO CC/C=C\CC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000309842338 384665321 /nfs/dbraw/zinc/66/53/21/384665321.db2.gz DXOVKZSWSRFUEB-QMAVJUDZSA-N 1 2 227.304 1.264 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000172888754 384636407 /nfs/dbraw/zinc/63/64/07/384636407.db2.gz ZOFJJYKAOUWMMP-LBPRGKRZSA-N 1 2 239.290 1.673 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000172888754 384636415 /nfs/dbraw/zinc/63/64/15/384636415.db2.gz ZOFJJYKAOUWMMP-LBPRGKRZSA-N 1 2 239.290 1.673 20 0 BDADLO COc1ccsc1C[NH2+]Cc1ccn(C)n1 ZINC000309836963 384658465 /nfs/dbraw/zinc/65/84/65/384658465.db2.gz BNQZBTONULMSMB-UHFFFAOYSA-N 1 2 237.328 1.780 20 0 BDADLO COC(=O)C1(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000185224803 384694881 /nfs/dbraw/zinc/69/48/81/384694881.db2.gz VLRFDMXYRWVXRF-UHFFFAOYSA-N 1 2 248.282 1.590 20 0 BDADLO CSCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000359129344 384716114 /nfs/dbraw/zinc/71/61/14/384716114.db2.gz QNYDMBLOMJORQN-UHFFFAOYSA-N 1 2 213.306 1.169 20 0 BDADLO CSCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000359129344 384716121 /nfs/dbraw/zinc/71/61/21/384716121.db2.gz QNYDMBLOMJORQN-UHFFFAOYSA-N 1 2 213.306 1.169 20 0 BDADLO CC[N@H+](CC(=O)NCC(C)C)Cc1ccccn1 ZINC000125382599 384716308 /nfs/dbraw/zinc/71/63/08/384716308.db2.gz QMSKACFTPNJGGQ-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO CC[N@@H+](CC(=O)NCC(C)C)Cc1ccccn1 ZINC000125382599 384716313 /nfs/dbraw/zinc/71/63/13/384716313.db2.gz QMSKACFTPNJGGQ-UHFFFAOYSA-N 1 2 249.358 1.676 20 0 BDADLO c1cn(CCCSc2nc[nH]n2)c[nH+]1 ZINC000185397524 384716671 /nfs/dbraw/zinc/71/66/71/384716671.db2.gz PLJQZLMVLSPJBQ-UHFFFAOYSA-N 1 2 209.278 1.184 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C)C)s1 ZINC000126093463 384730626 /nfs/dbraw/zinc/73/06/26/384730626.db2.gz QRRIOUAYGKSPPO-QMMMGPOBSA-N 1 2 227.333 1.190 20 0 BDADLO CS(=O)(=O)CCSCCCn1cc[nH+]c1 ZINC000185551539 384736903 /nfs/dbraw/zinc/73/69/03/384736903.db2.gz OCSWSAGXPDVKFJ-UHFFFAOYSA-N 1 2 248.373 1.051 20 0 BDADLO CC(C)(C)c1nc(=N[C@H]2CC[C@H](C[NH3+])C2)[nH]o1 ZINC000518144063 384738014 /nfs/dbraw/zinc/73/80/14/384738014.db2.gz LHABSKYGHOSMCA-IUCAKERBSA-N 1 2 238.335 1.328 20 0 BDADLO COC(=O)[C@H](CC(F)(F)F)[NH2+]C[C@H]1C[C@H]1C ZINC000309957334 384739818 /nfs/dbraw/zinc/73/98/18/384739818.db2.gz JAKARTZWHFRCPQ-PRJMDXOYSA-N 1 2 239.237 1.726 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCOC(C)C)no1 ZINC000309398877 384743929 /nfs/dbraw/zinc/74/39/29/384743929.db2.gz HAPYCKBGEHALIU-UHFFFAOYSA-N 1 2 227.308 1.628 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccc(N)nc2)cs1 ZINC000647550234 384747588 /nfs/dbraw/zinc/74/75/88/384747588.db2.gz GTZZFTNXGXXGSN-UHFFFAOYSA-N 1 2 248.355 1.803 20 0 BDADLO CCCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000363639425 384765794 /nfs/dbraw/zinc/76/57/94/384765794.db2.gz XTZKGPCGETWOJK-UHFFFAOYSA-N 1 2 247.342 1.920 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc(OC)c1 ZINC000042211478 384771173 /nfs/dbraw/zinc/77/11/73/384771173.db2.gz JISYMFMYYJQBTK-UHFFFAOYSA-N 1 2 223.272 1.300 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000042211478 384771178 /nfs/dbraw/zinc/77/11/78/384771178.db2.gz JISYMFMYYJQBTK-UHFFFAOYSA-N 1 2 223.272 1.300 20 0 BDADLO Cn1cnc(C[NH2+]C/C=C\c2ccccc2)n1 ZINC000310044905 384816496 /nfs/dbraw/zinc/81/64/96/384816496.db2.gz CEAMIARSNFGUIP-YVMONPNESA-N 1 2 228.299 1.618 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)on1 ZINC000126720833 384823271 /nfs/dbraw/zinc/82/32/71/384823271.db2.gz LGEMOASTJMFJBE-RFAUZJTJSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)on1 ZINC000126720833 384823276 /nfs/dbraw/zinc/82/32/76/384823276.db2.gz LGEMOASTJMFJBE-RFAUZJTJSA-N 1 2 230.333 1.182 20 0 BDADLO Cn1nnc(C[NH2+][C@@H](c2cccs2)C2CC2)n1 ZINC000398172324 384827371 /nfs/dbraw/zinc/82/73/71/384827371.db2.gz LQAJLSKSRPMYHE-LLVKDONJSA-N 1 2 249.343 1.513 20 0 BDADLO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000375896463 384829594 /nfs/dbraw/zinc/82/95/94/384829594.db2.gz XBLGIPGBJBDOGC-DRGRQASISA-N 1 2 241.360 1.144 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000106141227 384834074 /nfs/dbraw/zinc/83/40/74/384834074.db2.gz DTJHPCHVYQFFRZ-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000106141227 384834081 /nfs/dbraw/zinc/83/40/81/384834081.db2.gz DTJHPCHVYQFFRZ-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CC[C@H]1C[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000310012236 384783340 /nfs/dbraw/zinc/78/33/40/384783340.db2.gz JANIAXSKUPDETQ-DTWKUNHWSA-N 1 2 221.308 1.456 20 0 BDADLO CC[C@H]1C[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000310012236 384783345 /nfs/dbraw/zinc/78/33/45/384783345.db2.gz JANIAXSKUPDETQ-DTWKUNHWSA-N 1 2 221.308 1.456 20 0 BDADLO O=S(=O)(Nc1cc[nH+]cc1)c1cccnc1 ZINC000105565065 384791607 /nfs/dbraw/zinc/79/16/07/384791607.db2.gz XVIZYSNGVXRBJB-UHFFFAOYSA-N 1 2 235.268 1.277 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc2n(n1)CCCC2 ZINC000647288729 384801758 /nfs/dbraw/zinc/80/17/58/384801758.db2.gz MIEVWLMLBZNJLY-SNVBAGLBSA-N 1 2 245.330 1.793 20 0 BDADLO CC(C)=CC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000053814809 384806464 /nfs/dbraw/zinc/80/64/64/384806464.db2.gz JGJVCQZADZVUCL-UHFFFAOYSA-N 1 2 237.303 1.820 20 0 BDADLO CC(C)=CC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000053814809 384806481 /nfs/dbraw/zinc/80/64/81/384806481.db2.gz JGJVCQZADZVUCL-UHFFFAOYSA-N 1 2 237.303 1.820 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(C(F)F)CC1 ZINC000360288633 384813543 /nfs/dbraw/zinc/81/35/43/384813543.db2.gz DAHXQPIYITUWLF-UHFFFAOYSA-N 1 2 244.245 1.017 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@H](C)C[S@](C)=O)n1 ZINC000126650758 384813957 /nfs/dbraw/zinc/81/39/57/384813957.db2.gz WYLAHMLXZLNWRL-RFAUZJTJSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1csc(C[N@H+](C)[C@H](C)C[S@](C)=O)n1 ZINC000126650758 384813967 /nfs/dbraw/zinc/81/39/67/384813967.db2.gz WYLAHMLXZLNWRL-RFAUZJTJSA-N 1 2 246.401 1.650 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)COC(C)C)C(=O)OC ZINC000310041370 384814018 /nfs/dbraw/zinc/81/40/18/384814018.db2.gz YNVIOBHNLFOZGP-WDEREUQCSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@H]1CCCN1C(=O)NCc1c[nH+]cn1C ZINC000291771675 384889808 /nfs/dbraw/zinc/88/98/08/384889808.db2.gz FPBQGPJGOGWIQT-VIFPVBQESA-N 1 2 222.292 1.114 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]CC(F)F)cc1 ZINC000147414661 384840573 /nfs/dbraw/zinc/84/05/73/384840573.db2.gz HDQVPLURGSLYPW-UHFFFAOYSA-N 1 2 228.242 2.000 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1cccc(O)c1 ZINC000054764937 384849289 /nfs/dbraw/zinc/84/92/89/384849289.db2.gz PHUFHOZAWSCWMF-VIFPVBQESA-N 1 2 217.272 1.966 20 0 BDADLO CCCCNc1cc(NCC)[nH+]c(N)n1 ZINC000087807908 384854784 /nfs/dbraw/zinc/85/47/84/384854784.db2.gz VBJPPJPCGGBTCB-UHFFFAOYSA-N 1 2 209.297 1.703 20 0 BDADLO CCCCNc1cc(NCC)nc(N)[nH+]1 ZINC000087807908 384854793 /nfs/dbraw/zinc/85/47/93/384854793.db2.gz VBJPPJPCGGBTCB-UHFFFAOYSA-N 1 2 209.297 1.703 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)O)cc2[nH+]1 ZINC000258957033 384956559 /nfs/dbraw/zinc/95/65/59/384956559.db2.gz XLOAMSNHFFISKX-ZCFIWIBFSA-N 1 2 219.244 1.191 20 0 BDADLO C[C@H]([NH2+]CCF)c1c(F)cncc1F ZINC000308646316 384895242 /nfs/dbraw/zinc/89/52/42/384895242.db2.gz HUGQFEITYMPKLR-LURJTMIESA-N 1 2 204.195 1.980 20 0 BDADLO CCS(=O)(=O)Cc1cn2c(cccc2C)[nH+]1 ZINC000106301681 384907359 /nfs/dbraw/zinc/90/73/59/384907359.db2.gz HMBOFLPEHFYNFJ-UHFFFAOYSA-N 1 2 238.312 1.577 20 0 BDADLO O=C(OCCCF)N1CCn2c[nH+]cc2C1 ZINC000497253729 384912485 /nfs/dbraw/zinc/91/24/85/384912485.db2.gz SBQOQLQEVPDVPA-UHFFFAOYSA-N 1 2 227.239 1.195 20 0 BDADLO Cc1cc(NC(=O)/C=C\c2ccnn2C)cc[nH+]1 ZINC000255642874 384914122 /nfs/dbraw/zinc/91/41/22/384914122.db2.gz MKVPOMSOXMMKLK-ARJAWSKDSA-N 1 2 242.282 1.775 20 0 BDADLO COc1cc(N(C)CCCn2cc[nH+]c2)ncn1 ZINC000127590340 384920798 /nfs/dbraw/zinc/92/07/98/384920798.db2.gz IRYNMJZVJIUKSW-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000530571100 384938611 /nfs/dbraw/zinc/93/86/11/384938611.db2.gz KNIONMHQHZAFNW-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127746499 384941831 /nfs/dbraw/zinc/94/18/31/384941831.db2.gz CISMGUCOGYTLNX-LBPRGKRZSA-N 1 2 249.358 1.847 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127746499 384941837 /nfs/dbraw/zinc/94/18/37/384941837.db2.gz CISMGUCOGYTLNX-LBPRGKRZSA-N 1 2 249.358 1.847 20 0 BDADLO Cc1cc(C)cc(OC[C@H](O)Cn2cc[nH+]c2)c1 ZINC000057371613 384943764 /nfs/dbraw/zinc/94/37/64/384943764.db2.gz QPRLHJXNHTXXBV-CYBMUJFWSA-N 1 2 246.310 1.940 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)s1 ZINC000128400659 384945066 /nfs/dbraw/zinc/94/50/66/384945066.db2.gz KHZKWWPHYFVYHG-JTQLQIEISA-N 1 2 227.329 1.250 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)s1 ZINC000128400659 384945071 /nfs/dbraw/zinc/94/50/71/384945071.db2.gz KHZKWWPHYFVYHG-JTQLQIEISA-N 1 2 227.329 1.250 20 0 BDADLO C[C@@H]1C[C@H](Nc2ccc(N(C)CCO)c[nH+]2)[C@@H]1C ZINC000644541434 384947293 /nfs/dbraw/zinc/94/72/93/384947293.db2.gz FWUSYUMOWYVFGZ-WZRBSPASSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)CCC(C)C)no1 ZINC000644568829 384966080 /nfs/dbraw/zinc/96/60/80/384966080.db2.gz BQSFGOMPNSWXQE-JTQLQIEISA-N 1 2 227.308 1.265 20 0 BDADLO C[C@@H]1C[C@H](O)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000334716804 384969817 /nfs/dbraw/zinc/96/98/17/384969817.db2.gz XLPNPYCABOOZAK-MNOVXSKESA-N 1 2 245.326 1.780 20 0 BDADLO C[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)[C@H]1C ZINC000291853428 384974038 /nfs/dbraw/zinc/97/40/38/384974038.db2.gz JTPSBRSGFBBOHZ-ZJUUUORDSA-N 1 2 236.319 1.360 20 0 BDADLO C[N@@H+](Cc1ccns1)C[C@@H](O)C(F)(F)F ZINC000404375159 384974574 /nfs/dbraw/zinc/97/45/74/384974574.db2.gz DLAXHLRUKUENQA-SSDOTTSWSA-N 1 2 240.250 1.498 20 0 BDADLO C[N@H+](Cc1ccns1)C[C@@H](O)C(F)(F)F ZINC000404375159 384974579 /nfs/dbraw/zinc/97/45/79/384974579.db2.gz DLAXHLRUKUENQA-SSDOTTSWSA-N 1 2 240.250 1.498 20 0 BDADLO CC(C)c1nc(N[C@@H](C)C[S@](C)=O)cc[nH+]1 ZINC000302158720 384975786 /nfs/dbraw/zinc/97/57/86/384975786.db2.gz NMRKLAZEYRZJGI-FVMDXXJSSA-N 1 2 241.360 1.779 20 0 BDADLO C[C@H](CC[S@@](C)=O)Nc1cccc[nH+]1 ZINC000130130817 385022401 /nfs/dbraw/zinc/02/24/01/385022401.db2.gz VJABKLOYSNMUNI-OTYXRUKQSA-N 1 2 212.318 1.651 20 0 BDADLO C[N@H+](Cc1ccns1)Cc1ccnc(N)c1 ZINC000404458699 385002490 /nfs/dbraw/zinc/00/24/90/385002490.db2.gz RZURVWZUQVUCPT-UHFFFAOYSA-N 1 2 234.328 1.583 20 0 BDADLO C[N@@H+](Cc1ccns1)Cc1ccnc(N)c1 ZINC000404458699 385002495 /nfs/dbraw/zinc/00/24/95/385002495.db2.gz RZURVWZUQVUCPT-UHFFFAOYSA-N 1 2 234.328 1.583 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1C1CC1 ZINC000530719500 385022913 /nfs/dbraw/zinc/02/29/13/385022913.db2.gz PGAJUZWPHYONTJ-VXGBXAGGSA-N 1 2 245.326 1.656 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cc(C)ns2)[nH]1 ZINC000404461058 385010064 /nfs/dbraw/zinc/01/00/64/385010064.db2.gz UCADLJVHYGFKII-UHFFFAOYSA-N 1 2 237.332 1.422 20 0 BDADLO CC(C)[C@@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000302881816 385013103 /nfs/dbraw/zinc/01/31/03/385013103.db2.gz IFYPOBHWRPJHDU-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)[C@@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000302881816 385013113 /nfs/dbraw/zinc/01/31/13/385013113.db2.gz IFYPOBHWRPJHDU-ZETCQYMHSA-N 1 2 244.726 1.531 20 0 BDADLO C[C@@H](CC(=O)NCCn1cccc1)n1cc[nH+]c1 ZINC000518383361 385023120 /nfs/dbraw/zinc/02/31/20/385023120.db2.gz KQHKMSCUSMOHTI-LBPRGKRZSA-N 1 2 246.314 1.452 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCO1 ZINC000107293506 384961482 /nfs/dbraw/zinc/96/14/82/384961482.db2.gz AAGIZJUJDQPGDO-SNVBAGLBSA-N 1 2 206.245 1.508 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@@H]1C1CC1 ZINC000177604442 385062118 /nfs/dbraw/zinc/06/21/18/385062118.db2.gz UIRZXAYKNOLERL-NEPJUHHUSA-N 1 2 233.315 1.436 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2noc(C)n2)[C@@H](C)C1 ZINC000407948352 385082745 /nfs/dbraw/zinc/08/27/45/385082745.db2.gz FZPDISIICURSSN-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2noc(C)n2)[C@@H](C)C1 ZINC000407948352 385082752 /nfs/dbraw/zinc/08/27/52/385082752.db2.gz FZPDISIICURSSN-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058873903 385031598 /nfs/dbraw/zinc/03/15/98/385031598.db2.gz VUIYZPXVOLVVNZ-DTORHVGOSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058873903 385031607 /nfs/dbraw/zinc/03/16/07/385031607.db2.gz VUIYZPXVOLVVNZ-DTORHVGOSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1ccc(NC(=O)Cn2cccn2)c(C)[nH+]1 ZINC000176186397 385034670 /nfs/dbraw/zinc/03/46/70/385034670.db2.gz AGZUZFNLKRQMDT-UHFFFAOYSA-N 1 2 230.271 1.534 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)c1ccco1 ZINC000164777299 385037279 /nfs/dbraw/zinc/03/72/79/385037279.db2.gz VHSIYPKTPRQUEL-LLVKDONJSA-N 1 2 221.260 1.000 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000188370950 385045212 /nfs/dbraw/zinc/04/52/12/385045212.db2.gz ZIZOVRNCHQRVLB-ZYHUDNBSSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000188370950 385045218 /nfs/dbraw/zinc/04/52/18/385045218.db2.gz ZIZOVRNCHQRVLB-ZYHUDNBSSA-N 1 2 225.288 1.515 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H]2CO)[nH]1 ZINC000408397577 385110958 /nfs/dbraw/zinc/11/09/58/385110958.db2.gz UNDDPHYREXYYKD-VIFPVBQESA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H]2CO)[nH]1 ZINC000408397577 385110964 /nfs/dbraw/zinc/11/09/64/385110964.db2.gz UNDDPHYREXYYKD-VIFPVBQESA-N 1 2 238.335 1.059 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCOC[C@H]1C ZINC000287645149 385111897 /nfs/dbraw/zinc/11/18/97/385111897.db2.gz VYKHTGSWBPFULB-SNVBAGLBSA-N 1 2 249.314 1.951 20 0 BDADLO CC[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000106461945 385118177 /nfs/dbraw/zinc/11/81/77/385118177.db2.gz PXXKBTYCJJDWPX-SECBINFHSA-N 1 2 209.293 1.783 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@@H](O)C(C)(C)C1 ZINC000279441444 385130621 /nfs/dbraw/zinc/13/06/21/385130621.db2.gz LNTVLKUCNQCAFN-GFCCVEGCSA-N 1 2 245.326 1.780 20 0 BDADLO Nc1ccc(NC(=O)C2CCOCC2)c[nH+]1 ZINC000061680563 385131688 /nfs/dbraw/zinc/13/16/88/385131688.db2.gz AQCWATWWVLMDLZ-UHFFFAOYSA-N 1 2 221.260 1.029 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CCCCO2)c[nH+]1 ZINC000061680230 385132451 /nfs/dbraw/zinc/13/24/51/385132451.db2.gz GWQVHBKZYZWCPH-SECBINFHSA-N 1 2 221.260 1.171 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000189261478 385138494 /nfs/dbraw/zinc/13/84/94/385138494.db2.gz OQCXICFESBDONL-WDEREUQCSA-N 1 2 249.314 1.671 20 0 BDADLO COC1(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000648285998 385092115 /nfs/dbraw/zinc/09/21/15/385092115.db2.gz VTILCXHJVAIZTM-UHFFFAOYSA-N 1 2 231.255 1.452 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCc3c[nH]nc3C2)[nH]1 ZINC000644679012 385092510 /nfs/dbraw/zinc/09/25/10/385092510.db2.gz SECLORSIVAVMEC-UHFFFAOYSA-N 1 2 246.318 1.210 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCc3c[nH]nc3C2)[nH]1 ZINC000644679012 385092513 /nfs/dbraw/zinc/09/25/13/385092513.db2.gz SECLORSIVAVMEC-UHFFFAOYSA-N 1 2 246.318 1.210 20 0 BDADLO CO[C@H]1C[N@H+](Cc2nc(C)no2)CC[C@@H]1C ZINC000407948851 385094532 /nfs/dbraw/zinc/09/45/32/385094532.db2.gz WQWOASVERMAPHS-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2nc(C)no2)CC[C@@H]1C ZINC000407948851 385094536 /nfs/dbraw/zinc/09/45/36/385094536.db2.gz WQWOASVERMAPHS-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@@H](O)C2(CC2)C1 ZINC000336366414 385184605 /nfs/dbraw/zinc/18/46/05/385184605.db2.gz UROZHCYDTXEXOK-GFCCVEGCSA-N 1 2 243.310 1.534 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](O)C1(C)C ZINC000336373385 385194514 /nfs/dbraw/zinc/19/45/14/385194514.db2.gz AJCGATMMQDVMQK-LLVKDONJSA-N 1 2 249.314 1.189 20 0 BDADLO CN(Cc1c[nH+]cn1C)Cc1nccs1 ZINC000177178113 385195013 /nfs/dbraw/zinc/19/50/13/385195013.db2.gz AEYALOIQQCZFNH-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H]1CCOC1)C2 ZINC000336350143 385144841 /nfs/dbraw/zinc/14/48/41/385144841.db2.gz HJNUNNANBYDRNO-LLVKDONJSA-N 1 2 249.358 1.691 20 0 BDADLO CC(C)c1nc2c(n1C)CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000336350143 385144849 /nfs/dbraw/zinc/14/48/49/385144849.db2.gz HJNUNNANBYDRNO-LLVKDONJSA-N 1 2 249.358 1.691 20 0 BDADLO CC(C)c1nc2c(n1C)CC[N@H+]([C@@H]1CCOC1)C2 ZINC000336350143 385144857 /nfs/dbraw/zinc/14/48/57/385144857.db2.gz HJNUNNANBYDRNO-LLVKDONJSA-N 1 2 249.358 1.691 20 0 BDADLO CCc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000189375684 385149788 /nfs/dbraw/zinc/14/97/88/385149788.db2.gz KMJHLYSFSLURBD-UHFFFAOYSA-N 1 2 232.327 1.523 20 0 BDADLO CCc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000189375684 385149790 /nfs/dbraw/zinc/14/97/90/385149790.db2.gz KMJHLYSFSLURBD-UHFFFAOYSA-N 1 2 232.327 1.523 20 0 BDADLO CCc1nnc(C[N@H+](C)C2(CO)CCC2)s1 ZINC000644783227 385150785 /nfs/dbraw/zinc/15/07/85/385150785.db2.gz PEXOJANTUQPAOP-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2(CO)CCC2)s1 ZINC000644783227 385150789 /nfs/dbraw/zinc/15/07/89/385150789.db2.gz PEXOJANTUQPAOP-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cncn2C)o1 ZINC000176985314 385164565 /nfs/dbraw/zinc/16/45/65/385164565.db2.gz NQISAVZBSAERTB-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cncn2C)o1 ZINC000176985314 385164574 /nfs/dbraw/zinc/16/45/74/385164574.db2.gz NQISAVZBSAERTB-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000178021395 385171841 /nfs/dbraw/zinc/17/18/41/385171841.db2.gz RTXYIAUNMWLLBL-NSHDSACASA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000178021395 385171843 /nfs/dbraw/zinc/17/18/43/385171843.db2.gz RTXYIAUNMWLLBL-NSHDSACASA-N 1 2 225.292 1.150 20 0 BDADLO CCC[C@@](C)(NCc1c[nH+]cn1C)C(=O)OC ZINC000177067168 385175391 /nfs/dbraw/zinc/17/53/91/385175391.db2.gz FOJGCECAYWPGQP-GFCCVEGCSA-N 1 2 239.319 1.242 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOCC12CCCC2 ZINC000336399999 385256445 /nfs/dbraw/zinc/25/64/45/385256445.db2.gz AOYLHBUUBYZLBS-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOCC12CCCC2 ZINC000336399999 385256447 /nfs/dbraw/zinc/25/64/47/385256447.db2.gz AOYLHBUUBYZLBS-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOCC12CCCC2 ZINC000336399999 385256458 /nfs/dbraw/zinc/25/64/58/385256458.db2.gz AOYLHBUUBYZLBS-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOCC12CCCC2 ZINC000336399999 385256462 /nfs/dbraw/zinc/25/64/62/385256462.db2.gz AOYLHBUUBYZLBS-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Fc1ccc([C@H]([NH2+]C2CC2)c2cnn[nH]2)cc1 ZINC000559892543 385220789 /nfs/dbraw/zinc/22/07/89/385220789.db2.gz BNXNKMSEUHOFON-LBPRGKRZSA-N 1 2 232.262 1.785 20 0 BDADLO Fc1ccc([C@H]([NH2+]C2CC2)c2c[nH]nn2)cc1 ZINC000559892543 385220793 /nfs/dbraw/zinc/22/07/93/385220793.db2.gz BNXNKMSEUHOFON-LBPRGKRZSA-N 1 2 232.262 1.785 20 0 BDADLO Fc1ccc([C@H]([NH2+]C2CC2)c2cn[nH]n2)cc1 ZINC000559892543 385220796 /nfs/dbraw/zinc/22/07/96/385220796.db2.gz BNXNKMSEUHOFON-LBPRGKRZSA-N 1 2 232.262 1.785 20 0 BDADLO CC(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152963725 385226493 /nfs/dbraw/zinc/22/64/93/385226493.db2.gz FPBVCLRDLMPJEF-NSHDSACASA-N 1 2 233.315 1.433 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1COCC1(C)C ZINC000313035832 385226845 /nfs/dbraw/zinc/22/68/45/385226845.db2.gz WYZPTXAEEUPSSV-VIFPVBQESA-N 1 2 247.302 1.200 20 0 BDADLO Cn1cc(CNc2cc[nH+]cc2F)cn1 ZINC000308871651 385229091 /nfs/dbraw/zinc/22/90/91/385229091.db2.gz KCMNLUCDKBUIKT-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO CCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153051440 385232377 /nfs/dbraw/zinc/23/23/77/385232377.db2.gz FXVMHIUCURJQFQ-NSHDSACASA-N 1 2 248.330 1.322 20 0 BDADLO COC[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000227841150 385257636 /nfs/dbraw/zinc/25/76/36/385257636.db2.gz YVYJZOFPBFFSCZ-RXMQYKEDSA-N 1 2 216.672 1.159 20 0 BDADLO COC[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000227841150 385257643 /nfs/dbraw/zinc/25/76/43/385257643.db2.gz YVYJZOFPBFFSCZ-RXMQYKEDSA-N 1 2 216.672 1.159 20 0 BDADLO Cc1ccc(CS(=O)(=O)CCF)c(C)[nH+]1 ZINC000358495519 385246411 /nfs/dbraw/zinc/24/64/11/385246411.db2.gz JBVCLUKKXCUZOQ-UHFFFAOYSA-N 1 2 231.292 1.583 20 0 BDADLO C[C@H](O)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110599991 385249692 /nfs/dbraw/zinc/24/96/92/385249692.db2.gz VLQBIVOGUIVZDM-JTQLQIEISA-N 1 2 247.342 1.951 20 0 BDADLO Cc1c(C[NH2+]Cc2cn(C(C)C)nn2)cnn1C ZINC000310948411 385252049 /nfs/dbraw/zinc/25/20/49/385252049.db2.gz QHUGJUAKMULNCB-UHFFFAOYSA-N 1 2 248.334 1.191 20 0 BDADLO CCCN(CC1CC1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000448132087 385253270 /nfs/dbraw/zinc/25/32/70/385253270.db2.gz GONVGPBFQKFGIL-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CCCN(CC1CC1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000448132087 385253276 /nfs/dbraw/zinc/25/32/76/385253276.db2.gz GONVGPBFQKFGIL-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000279801641 385205226 /nfs/dbraw/zinc/20/52/26/385205226.db2.gz PEZNZXLDNHNJCI-JTQLQIEISA-N 1 2 210.277 1.066 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cs1 ZINC000131021122 385302708 /nfs/dbraw/zinc/30/27/08/385302708.db2.gz CCDRLTYCYRHTCF-ANRSDYALSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@](C)=O)cs1 ZINC000131021122 385302711 /nfs/dbraw/zinc/30/27/11/385302711.db2.gz CCDRLTYCYRHTCF-ANRSDYALSA-N 1 2 246.401 1.650 20 0 BDADLO C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCCS1 ZINC000154184111 385308122 /nfs/dbraw/zinc/30/81/22/385308122.db2.gz DGWPQRWLQHHSKG-NSHDSACASA-N 1 2 239.344 1.285 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000177989650 385314830 /nfs/dbraw/zinc/31/48/30/385314830.db2.gz NRZHHLOYECHXCS-JTQLQIEISA-N 1 2 231.246 1.235 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000177989650 385314840 /nfs/dbraw/zinc/31/48/40/385314840.db2.gz NRZHHLOYECHXCS-JTQLQIEISA-N 1 2 231.246 1.235 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCOCC(C)C ZINC000308965520 385315526 /nfs/dbraw/zinc/31/55/26/385315526.db2.gz VFESHQHELDPRDW-UHFFFAOYSA-N 1 2 217.309 1.200 20 0 BDADLO CCC1(CO)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000153555752 385263635 /nfs/dbraw/zinc/26/36/35/385263635.db2.gz SFLSTQXFULMDTO-UHFFFAOYSA-N 1 2 235.331 1.774 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130593075 385265225 /nfs/dbraw/zinc/26/52/25/385265225.db2.gz FFAJMQVUZUNTRC-JTQLQIEISA-N 1 2 237.303 1.336 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130593075 385265231 /nfs/dbraw/zinc/26/52/31/385265231.db2.gz FFAJMQVUZUNTRC-JTQLQIEISA-N 1 2 237.303 1.336 20 0 BDADLO C[C@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000120204940 385274694 /nfs/dbraw/zinc/27/46/94/385274694.db2.gz GYMSDXSSPOCRFE-QMMMGPOBSA-N 1 2 209.293 1.567 20 0 BDADLO CCS(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000335822460 385277243 /nfs/dbraw/zinc/27/72/43/385277243.db2.gz GXWZIJCYWHLKCK-UHFFFAOYSA-N 1 2 213.302 1.633 20 0 BDADLO C[N@H+](CCO)Cc1nccn1-c1ccccc1 ZINC000191160472 385287103 /nfs/dbraw/zinc/28/71/03/385287103.db2.gz LDBNUGGLJXAGRU-UHFFFAOYSA-N 1 2 231.299 1.296 20 0 BDADLO C[N@@H+](CCO)Cc1nccn1-c1ccccc1 ZINC000191160472 385287109 /nfs/dbraw/zinc/28/71/09/385287109.db2.gz LDBNUGGLJXAGRU-UHFFFAOYSA-N 1 2 231.299 1.296 20 0 BDADLO CCC(CC)(CNC(=O)Cn1cc[nH+]c1)OC ZINC000558090446 385297981 /nfs/dbraw/zinc/29/79/81/385297981.db2.gz QEAKVULSKBAKRR-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000364292939 385331703 /nfs/dbraw/zinc/33/17/03/385331703.db2.gz OHOCPYDYZQUIOL-NSHDSACASA-N 1 2 238.335 1.156 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000364292939 385331709 /nfs/dbraw/zinc/33/17/09/385331709.db2.gz OHOCPYDYZQUIOL-NSHDSACASA-N 1 2 238.335 1.156 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCS[C@H](C)C1 ZINC000131426754 385333296 /nfs/dbraw/zinc/33/32/96/385333296.db2.gz JQSBVIFECNQDDI-MRVPVSSYSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCS[C@H](C)C1 ZINC000131426754 385333300 /nfs/dbraw/zinc/33/33/00/385333300.db2.gz JQSBVIFECNQDDI-MRVPVSSYSA-N 1 2 211.334 1.655 20 0 BDADLO FCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000280696760 385357794 /nfs/dbraw/zinc/35/77/94/385357794.db2.gz GILVZPIUUJEWGH-UHFFFAOYSA-N 1 2 210.256 1.458 20 0 BDADLO FCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000280696760 385357797 /nfs/dbraw/zinc/35/77/97/385357797.db2.gz GILVZPIUUJEWGH-UHFFFAOYSA-N 1 2 210.256 1.458 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC12CC2)c1c[nH]c[nH+]1 ZINC000644796151 385375326 /nfs/dbraw/zinc/37/53/26/385375326.db2.gz BIWVOIRESJHCTI-QMMMGPOBSA-N 1 2 219.288 1.356 20 0 BDADLO CC[C@H](CSC)[N@H+](C)Cc1ncnn1C ZINC000180679412 385393009 /nfs/dbraw/zinc/39/30/09/385393009.db2.gz CKHXTPLZNHGRMU-SECBINFHSA-N 1 2 228.365 1.389 20 0 BDADLO CC[C@H](CSC)[N@@H+](C)Cc1ncnn1C ZINC000180679412 385393012 /nfs/dbraw/zinc/39/30/12/385393012.db2.gz CKHXTPLZNHGRMU-SECBINFHSA-N 1 2 228.365 1.389 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000193579286 385402333 /nfs/dbraw/zinc/40/23/33/385402333.db2.gz NPLSMKUQHWCIIA-PHIMTYICSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000193579286 385402339 /nfs/dbraw/zinc/40/23/39/385402339.db2.gz NPLSMKUQHWCIIA-PHIMTYICSA-N 1 2 221.304 1.593 20 0 BDADLO C[C@H]([NH2+]Cc1ccncc1)c1ccon1 ZINC000309146344 385438280 /nfs/dbraw/zinc/43/82/80/385438280.db2.gz VFSGKRNWZIZPBA-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)CCC(C)(C)O ZINC000156207064 385441842 /nfs/dbraw/zinc/44/18/42/385441842.db2.gz ZQBJLVJHEYCOPY-UHFFFAOYSA-N 1 2 245.754 1.666 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(C)(C)O ZINC000156207064 385441845 /nfs/dbraw/zinc/44/18/45/385441845.db2.gz ZQBJLVJHEYCOPY-UHFFFAOYSA-N 1 2 245.754 1.666 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](C)OC)CCCC1 ZINC000182366328 385442338 /nfs/dbraw/zinc/44/23/38/385442338.db2.gz ZBIKWLUCNHILBQ-VIFPVBQESA-N 1 2 215.293 1.097 20 0 BDADLO Cc1c[nH+]c(CNc2ccn(C)n2)n1C ZINC000309164724 385444710 /nfs/dbraw/zinc/44/47/10/385444710.db2.gz ILSAOWBKCXYDBY-UHFFFAOYSA-N 1 2 205.265 1.074 20 0 BDADLO CC[C@@H]([NH2+]C1Cc2ccccc2C1)C(=O)OC ZINC000179149781 385445484 /nfs/dbraw/zinc/44/54/84/385445484.db2.gz OYDMHHAPZXSQRZ-CYBMUJFWSA-N 1 2 233.311 1.695 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1csc(Cl)n1 ZINC000295149613 385458113 /nfs/dbraw/zinc/45/81/13/385458113.db2.gz BIBPAWKQAPALEC-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1csc(Cl)n1 ZINC000295149613 385458116 /nfs/dbraw/zinc/45/81/16/385458116.db2.gz BIBPAWKQAPALEC-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO CC(C)(O)[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862907 385452906 /nfs/dbraw/zinc/45/29/06/385452906.db2.gz LNEGRNYYJFNPDI-ISALQUGTSA-N 1 2 249.314 1.185 20 0 BDADLO Cn1cc([C@@H]([NH2+]C2COC2)c2ccccc2)cn1 ZINC000367681724 385427684 /nfs/dbraw/zinc/42/76/84/385427684.db2.gz DXVLJDMULQQUGX-AWEZNQCLSA-N 1 2 243.310 1.498 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](C)OC)CCCCC1 ZINC000182179190 385433772 /nfs/dbraw/zinc/43/37/72/385433772.db2.gz IIOFEEMSYZXLDJ-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C/c1ccccc1OC ZINC000179395152 385465102 /nfs/dbraw/zinc/46/51/02/385465102.db2.gz CXMKXAMCYBDFLH-SOFGYWHQSA-N 1 2 249.310 1.813 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C/c1ccccc1OC ZINC000179395152 385465103 /nfs/dbraw/zinc/46/51/03/385465103.db2.gz CXMKXAMCYBDFLH-SOFGYWHQSA-N 1 2 249.310 1.813 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc[nH]n1 ZINC000179569358 385473513 /nfs/dbraw/zinc/47/35/13/385473513.db2.gz YUPBDJKMWASJCU-SNVBAGLBSA-N 1 2 216.288 1.788 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc[nH]n1 ZINC000179569358 385473515 /nfs/dbraw/zinc/47/35/15/385473515.db2.gz YUPBDJKMWASJCU-SNVBAGLBSA-N 1 2 216.288 1.788 20 0 BDADLO Cc1cc[nH+]c(NCCOCCO)c1Cl ZINC000309215083 385484434 /nfs/dbraw/zinc/48/44/34/385484434.db2.gz UEZCGNSXHZBSMS-UHFFFAOYSA-N 1 2 230.695 1.464 20 0 BDADLO CO[C@@H](C)C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195127429 385459869 /nfs/dbraw/zinc/45/98/69/385459869.db2.gz OURPNMODTIIRBC-CMPLNLGQSA-N 1 2 246.314 1.519 20 0 BDADLO CO[C@H](C)C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195127437 385461000 /nfs/dbraw/zinc/46/10/00/385461000.db2.gz OURPNMODTIIRBC-ZYHUDNBSSA-N 1 2 246.314 1.519 20 0 BDADLO Cn1cc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000171573233 385497687 /nfs/dbraw/zinc/49/76/87/385497687.db2.gz JUOLHDFDNSFWTH-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000180014279 385503909 /nfs/dbraw/zinc/50/39/09/385503909.db2.gz BVKBGJDGLVKEIR-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000180014279 385503913 /nfs/dbraw/zinc/50/39/13/385503913.db2.gz BVKBGJDGLVKEIR-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO CC(C)(C)c1nc(=N[C@@H]2CCC[C@@H]2C[NH3+])[nH]o1 ZINC000643011507 385508136 /nfs/dbraw/zinc/50/81/36/385508136.db2.gz UQXHYSXMIPYDOL-RKDXNWHRSA-N 1 2 238.335 1.328 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(C)(C)C)C2 ZINC000364744476 385508230 /nfs/dbraw/zinc/50/82/30/385508230.db2.gz AGJIIGFXKCGXMK-JTQLQIEISA-N 1 2 235.331 1.669 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C/C=C/Cl ZINC000364738977 385508642 /nfs/dbraw/zinc/50/86/42/385508642.db2.gz NCKLPSRUVHPZLF-UJYZRXPGSA-N 1 2 243.734 1.809 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C/C=C/Cl ZINC000364738977 385508646 /nfs/dbraw/zinc/50/86/46/385508646.db2.gz NCKLPSRUVHPZLF-UJYZRXPGSA-N 1 2 243.734 1.809 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000309318240 385529558 /nfs/dbraw/zinc/52/95/58/385529558.db2.gz PTFDUENTDKDDOS-ONGXEEELSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000309318240 385529562 /nfs/dbraw/zinc/52/95/62/385529562.db2.gz PTFDUENTDKDDOS-ONGXEEELSA-N 1 2 241.360 1.664 20 0 BDADLO COC[C@@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171921804 385531979 /nfs/dbraw/zinc/53/19/79/385531979.db2.gz PLRCWEHJLKYKKN-JTQLQIEISA-N 1 2 247.298 1.347 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CCOC2)n1C1CC1 ZINC000106879695 385537964 /nfs/dbraw/zinc/53/79/64/385537964.db2.gz YPKSGMQXDPUGHA-NSHDSACASA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CCOC2)n1C1CC1 ZINC000106879695 385537969 /nfs/dbraw/zinc/53/79/69/385537969.db2.gz YPKSGMQXDPUGHA-NSHDSACASA-N 1 2 236.319 1.142 20 0 BDADLO Cc1ccc(NC(=O)C2CC(=O)C2)c(C)[nH+]1 ZINC000180379712 385521136 /nfs/dbraw/zinc/52/11/36/385521136.db2.gz ISDBWMNIWMAUEB-UHFFFAOYSA-N 1 2 218.256 1.616 20 0 BDADLO CC(C)(C)C1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493116921 385525316 /nfs/dbraw/zinc/52/53/16/385525316.db2.gz KJQLAOFMOFQYHB-SNAWJCMRSA-N 1 2 233.315 1.927 20 0 BDADLO FC(F)(F)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000334555740 385571399 /nfs/dbraw/zinc/57/13/99/385571399.db2.gz PPCPVOWFKOUNFF-VIFPVBQESA-N 1 2 239.237 1.430 20 0 BDADLO FC(F)(F)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000334555740 385571402 /nfs/dbraw/zinc/57/14/02/385571402.db2.gz PPCPVOWFKOUNFF-VIFPVBQESA-N 1 2 239.237 1.430 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CCCC1 ZINC000041979380 385597631 /nfs/dbraw/zinc/59/76/31/385597631.db2.gz OZVJDASSEYROCP-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO c1ncn2c1C[N@H+](C[C@H]1CCCCO1)CC2 ZINC000647939350 385601359 /nfs/dbraw/zinc/60/13/59/385601359.db2.gz LAKWVIRICUZLMM-GFCCVEGCSA-N 1 2 221.304 1.268 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC000647939350 385601366 /nfs/dbraw/zinc/60/13/66/385601366.db2.gz LAKWVIRICUZLMM-GFCCVEGCSA-N 1 2 221.304 1.268 20 0 BDADLO c1[nH+]cn2c1CN(C[C@H]1CCCCO1)CC2 ZINC000647939350 385601369 /nfs/dbraw/zinc/60/13/69/385601369.db2.gz LAKWVIRICUZLMM-GFCCVEGCSA-N 1 2 221.304 1.268 20 0 BDADLO CC(C)Cc1nsc(NCC[NH+]2CCC2)n1 ZINC000336676621 385603351 /nfs/dbraw/zinc/60/33/51/385603351.db2.gz PXEQGPNRHLWVGW-UHFFFAOYSA-N 1 2 240.376 1.276 20 0 BDADLO COCC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493111968 533132355 /nfs/dbraw/zinc/13/23/55/533132355.db2.gz DJIGVASCEMUVEL-ONEGZZNKSA-N 1 2 249.314 1.356 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1sc(C)nc1C ZINC000280906233 385616599 /nfs/dbraw/zinc/61/65/99/385616599.db2.gz PZVGDEKANNEAKI-MRVPVSSYSA-N 1 2 242.344 1.753 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1sc(C)nc1C ZINC000280906233 385616605 /nfs/dbraw/zinc/61/66/05/385616605.db2.gz PZVGDEKANNEAKI-MRVPVSSYSA-N 1 2 242.344 1.753 20 0 BDADLO CCCCC(=O)NCCNc1cccc[nH+]1 ZINC000063707312 385619307 /nfs/dbraw/zinc/61/93/07/385619307.db2.gz HSVKVZSOPSXFSD-UHFFFAOYSA-N 1 2 221.304 1.800 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000493828500 385626010 /nfs/dbraw/zinc/62/60/10/385626010.db2.gz VJEZUBFHIQMBOQ-FCVPOFOPSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CC1(C)C)Cn1cc[nH+]c1 ZINC000269819888 385636919 /nfs/dbraw/zinc/63/69/19/385636919.db2.gz XVHRIQGNGCMOOX-WDEREUQCSA-N 1 2 235.331 1.682 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000280817218 385607473 /nfs/dbraw/zinc/60/74/73/385607473.db2.gz MUPGLGZGHXJAJW-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CCC=C(C)C2)n1 ZINC000280817218 385607478 /nfs/dbraw/zinc/60/74/78/385607478.db2.gz MUPGLGZGHXJAJW-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)OC ZINC000336677557 385609463 /nfs/dbraw/zinc/60/94/63/385609463.db2.gz HWLGRMUFCRNITP-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO CNc1ccc(Nc2ncc(F)cn2)c[nH+]1 ZINC000309501046 385637318 /nfs/dbraw/zinc/63/73/18/385637318.db2.gz ZTBDTZONMUEAEA-UHFFFAOYSA-N 1 2 219.223 1.796 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccon1 ZINC000309506280 385641573 /nfs/dbraw/zinc/64/15/73/385641573.db2.gz CARZNONSAYZXEF-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@H](C)C2)nc[nH+]1 ZINC000281179914 385642629 /nfs/dbraw/zinc/64/26/29/385642629.db2.gz ATYMODVWJSFDHW-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@H](C)C2)[nH+]cn1 ZINC000281179914 385642632 /nfs/dbraw/zinc/64/26/32/385642632.db2.gz ATYMODVWJSFDHW-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccccn1 ZINC000281265640 385649533 /nfs/dbraw/zinc/64/95/33/385649533.db2.gz NJWFKWOFBKHXHB-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccccn1 ZINC000281265640 385649535 /nfs/dbraw/zinc/64/95/35/385649535.db2.gz NJWFKWOFBKHXHB-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CSCCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000281312666 385655044 /nfs/dbraw/zinc/65/50/44/385655044.db2.gz PMEMYCLLIDUMDV-UHFFFAOYSA-N 1 2 241.360 1.485 20 0 BDADLO c1nc(CN2CCn3c[nH+]cc3C2)oc1C1CC1 ZINC000647939575 385655465 /nfs/dbraw/zinc/65/54/65/385655465.db2.gz SGCDRXKMEQWPMP-UHFFFAOYSA-N 1 2 244.298 1.764 20 0 BDADLO CC(C)COCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000337444002 385662945 /nfs/dbraw/zinc/66/29/45/385662945.db2.gz BHJOAFZBPPSNCY-RYUDHWBXSA-N 1 2 247.404 1.500 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000281506697 385676975 /nfs/dbraw/zinc/67/69/75/385676975.db2.gz HOVURPPKVGUESC-AAEUAGOBSA-N 1 2 249.358 2.000 20 0 BDADLO CSCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000281554896 385681888 /nfs/dbraw/zinc/68/18/88/385681888.db2.gz KNHDLSAIJNSPGO-UHFFFAOYSA-N 1 2 227.333 1.095 20 0 BDADLO CN(Cc1c[nH+]cn1C)OCc1ccccc1 ZINC000270552055 385717349 /nfs/dbraw/zinc/71/73/49/385717349.db2.gz HGESMOXJJNBJOO-UHFFFAOYSA-N 1 2 231.299 1.984 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000645219881 385687035 /nfs/dbraw/zinc/68/70/35/385687035.db2.gz ARKRZYUEITZPOC-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000645219881 385687040 /nfs/dbraw/zinc/68/70/40/385687040.db2.gz ARKRZYUEITZPOC-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO C[N@H+](CCCO)Cc1ncc(C(C)(C)C)o1 ZINC000281637863 385689306 /nfs/dbraw/zinc/68/93/06/385689306.db2.gz ILCDUYKPEMFLMM-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO C[N@@H+](CCCO)Cc1ncc(C(C)(C)C)o1 ZINC000281637863 385689312 /nfs/dbraw/zinc/68/93/12/385689312.db2.gz ILCDUYKPEMFLMM-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000337500254 385694702 /nfs/dbraw/zinc/69/47/02/385694702.db2.gz VIXPTZKCQAVHNE-PTOFAABTSA-N 1 2 234.299 1.564 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](F)C1 ZINC000451203514 385710348 /nfs/dbraw/zinc/71/03/48/385710348.db2.gz ZIQPFBXOMDMADR-UWVGGRQHSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](F)C1 ZINC000451203514 385710356 /nfs/dbraw/zinc/71/03/56/385710356.db2.gz ZIQPFBXOMDMADR-UWVGGRQHSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C)no1)c1nccn1C ZINC000182838865 385711262 /nfs/dbraw/zinc/71/12/62/385711262.db2.gz RGVSHLBYWPZWIY-NSHDSACASA-N 1 2 234.303 1.957 20 0 BDADLO COc1cc(C)[nH+]c(COc2nc(C)no2)c1 ZINC000270102645 385670487 /nfs/dbraw/zinc/67/04/87/385670487.db2.gz FQJOYMAXBMZHNW-UHFFFAOYSA-N 1 2 235.243 1.669 20 0 BDADLO C[C@H]1OCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000270703785 385732280 /nfs/dbraw/zinc/73/22/80/385732280.db2.gz IQQZKXOUMUFKTL-MWLCHTKSSA-N 1 2 248.330 1.054 20 0 BDADLO C[C@H]1OCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000270703785 385732285 /nfs/dbraw/zinc/73/22/85/385732285.db2.gz IQQZKXOUMUFKTL-MWLCHTKSSA-N 1 2 248.330 1.054 20 0 BDADLO C[C@@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000230482970 385737823 /nfs/dbraw/zinc/73/78/23/385737823.db2.gz ZDVGLGBYGHLTGQ-GFCCVEGCSA-N 1 2 217.272 1.524 20 0 BDADLO CC(C)n1cc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000061683512 385745420 /nfs/dbraw/zinc/74/54/20/385745420.db2.gz HUVWYOKIZWKEBS-SECBINFHSA-N 1 2 240.332 1.065 20 0 BDADLO C[C@H]1OCC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270793289 385745788 /nfs/dbraw/zinc/74/57/88/385745788.db2.gz RWRRLYVHEDMKQA-MWLCHTKSSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H]1OCC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270793289 385745791 /nfs/dbraw/zinc/74/57/91/385745791.db2.gz RWRRLYVHEDMKQA-MWLCHTKSSA-N 1 2 248.330 1.888 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000282275036 385747387 /nfs/dbraw/zinc/74/73/87/385747387.db2.gz KQYUOZIYUMSZNA-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1ccoc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000282275036 385747389 /nfs/dbraw/zinc/74/73/89/385747389.db2.gz KQYUOZIYUMSZNA-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186384266 385757091 /nfs/dbraw/zinc/75/70/91/385757091.db2.gz JHKZUKXBFHYJIV-WDEREUQCSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)c1nc(N(C)C)nc(-n2cc[nH+]c2)n1 ZINC000270902850 385757914 /nfs/dbraw/zinc/75/79/14/385757914.db2.gz FTACPZNWRSFQID-UHFFFAOYSA-N 1 2 232.291 1.247 20 0 BDADLO Cc1ccsc1C[NH2+][C@]1(C)CCOC1=O ZINC000289878714 385762917 /nfs/dbraw/zinc/76/29/17/385762917.db2.gz RTSHJDVSTFADOF-LLVKDONJSA-N 1 2 225.313 1.852 20 0 BDADLO COCCn1cc(C[N@H+](C)Cc2ccco2)cn1 ZINC000271029626 385772795 /nfs/dbraw/zinc/77/27/95/385772795.db2.gz GSQUYUDEWCNKQT-UHFFFAOYSA-N 1 2 249.314 1.755 20 0 BDADLO COCCn1cc(C[N@@H+](C)Cc2ccco2)cn1 ZINC000271029626 385772797 /nfs/dbraw/zinc/77/27/97/385772797.db2.gz GSQUYUDEWCNKQT-UHFFFAOYSA-N 1 2 249.314 1.755 20 0 BDADLO CCN(Cc1cc(OC)cc[nH+]1)C1COC1 ZINC000451287653 385773314 /nfs/dbraw/zinc/77/33/14/385773314.db2.gz RTCSISYLIIVUNT-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@H+](Cc1cc(OC)ccn1)C1COC1 ZINC000451287653 385773322 /nfs/dbraw/zinc/77/33/22/385773322.db2.gz RTCSISYLIIVUNT-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@@H+](Cc1cc(OC)ccn1)C1COC1 ZINC000451287653 385773329 /nfs/dbraw/zinc/77/33/29/385773329.db2.gz RTCSISYLIIVUNT-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC(C)(F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271052656 385777578 /nfs/dbraw/zinc/77/75/78/385777578.db2.gz AYTQZNAHZDQOMV-UHFFFAOYSA-N 1 2 239.294 1.864 20 0 BDADLO CC[N@H+](CC(=O)NCC1CC1)Cc1ccncc1 ZINC000271048502 385778622 /nfs/dbraw/zinc/77/86/22/385778622.db2.gz WJORKXDMHDBHSL-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO CC[N@@H+](CC(=O)NCC1CC1)Cc1ccncc1 ZINC000271048502 385778627 /nfs/dbraw/zinc/77/86/27/385778627.db2.gz WJORKXDMHDBHSL-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO Cc1cc(NCC2(C(F)F)CC2)nc[nH+]1 ZINC000336735916 385723085 /nfs/dbraw/zinc/72/30/85/385723085.db2.gz OWJVERXWXAVRQF-UHFFFAOYSA-N 1 2 213.231 1.664 20 0 BDADLO COc1cc(C)[nH+]c(CN2C(=O)C[C@@H](C)C2=O)c1 ZINC000271182035 385799855 /nfs/dbraw/zinc/79/98/55/385799855.db2.gz CVOLPTMEWUHNEF-MRVPVSSYSA-N 1 2 248.282 1.294 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000271187937 385800631 /nfs/dbraw/zinc/80/06/31/385800631.db2.gz KNZXQOPWKWLSCM-GLKRBJQHSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000271187937 385800636 /nfs/dbraw/zinc/80/06/36/385800636.db2.gz KNZXQOPWKWLSCM-GLKRBJQHSA-N 1 2 240.372 1.366 20 0 BDADLO Cn1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000271185618 385800741 /nfs/dbraw/zinc/80/07/41/385800741.db2.gz QFVCZPAALWJARF-GFCCVEGCSA-N 1 2 245.330 1.870 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H](C)CO ZINC000283350874 385817769 /nfs/dbraw/zinc/81/77/69/385817769.db2.gz ZBLUHBHWMZVDIF-VIFPVBQESA-N 1 2 223.276 1.235 20 0 BDADLO CCN(C)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000231731185 385818743 /nfs/dbraw/zinc/81/87/43/385818743.db2.gz GULDFPOAYKIYMK-UHFFFAOYSA-N 1 2 241.360 1.446 20 0 BDADLO CCCCN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294189560 385820726 /nfs/dbraw/zinc/82/07/26/385820726.db2.gz DEZQTRZLAYYPJO-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCCCN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294189560 385820730 /nfs/dbraw/zinc/82/07/30/385820730.db2.gz DEZQTRZLAYYPJO-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)OC ZINC000354928628 385822062 /nfs/dbraw/zinc/82/20/62/385822062.db2.gz UKYFBZZSZLNMNT-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@H]2CCC[C@@H]21 ZINC000283587816 385823939 /nfs/dbraw/zinc/82/39/39/385823939.db2.gz XBNNRJCSFDTZBK-XMXMHJJKSA-N 1 2 247.298 1.203 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@@H](C)O2)cc[nH+]1 ZINC000397926568 385824798 /nfs/dbraw/zinc/82/47/98/385824798.db2.gz RMWBFLFSFRIPIO-PSASIEDQSA-N 1 2 207.277 1.186 20 0 BDADLO CCN(C)C(=O)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000231867844 385825677 /nfs/dbraw/zinc/82/56/77/385825677.db2.gz DUXPZEOHKGAING-MRVPVSSYSA-N 1 2 222.292 1.064 20 0 BDADLO Cc1cc(C[N@H+](C)CCS(C)(=O)=O)cs1 ZINC000294493561 385857886 /nfs/dbraw/zinc/85/78/86/385857886.db2.gz ABWWMVDDTPMVBX-UHFFFAOYSA-N 1 2 247.385 1.533 20 0 BDADLO Cc1cc(C[N@@H+](C)CCS(C)(=O)=O)cs1 ZINC000294493561 385857889 /nfs/dbraw/zinc/85/78/89/385857889.db2.gz ABWWMVDDTPMVBX-UHFFFAOYSA-N 1 2 247.385 1.533 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458462 385833891 /nfs/dbraw/zinc/83/38/91/385833891.db2.gz OLZXFFACEUDMHH-PSASIEDQSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458462 385833894 /nfs/dbraw/zinc/83/38/94/385833894.db2.gz OLZXFFACEUDMHH-PSASIEDQSA-N 1 2 236.319 1.027 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2C2CC2)o1 ZINC000271494598 385834739 /nfs/dbraw/zinc/83/47/39/385834739.db2.gz MFUYZRQMLWXJSG-SECBINFHSA-N 1 2 247.302 1.760 20 0 BDADLO CCN(CC1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283871516 385837374 /nfs/dbraw/zinc/83/73/74/385837374.db2.gz HUSYQAUUJQRTDF-AATRIKPKSA-N 1 2 219.288 1.681 20 0 BDADLO COC[C@@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000283912817 385839083 /nfs/dbraw/zinc/83/90/83/385839083.db2.gz JXHMOSYHZNVDLP-NSHDSACASA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000283912817 385839090 /nfs/dbraw/zinc/83/90/90/385839090.db2.gz JXHMOSYHZNVDLP-NSHDSACASA-N 1 2 242.344 1.033 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC=C(F)C1 ZINC000271645084 385844341 /nfs/dbraw/zinc/84/43/41/385844341.db2.gz QUOOMZMRYVQXPR-QMMMGPOBSA-N 1 2 212.268 1.213 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC=C(F)C1 ZINC000271645084 385844343 /nfs/dbraw/zinc/84/43/43/385844343.db2.gz QUOOMZMRYVQXPR-QMMMGPOBSA-N 1 2 212.268 1.213 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000271674120 385846357 /nfs/dbraw/zinc/84/63/57/385846357.db2.gz XQOQKIUKRCCSLB-LLVKDONJSA-N 1 2 226.295 1.555 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000271674120 385846360 /nfs/dbraw/zinc/84/63/60/385846360.db2.gz XQOQKIUKRCCSLB-LLVKDONJSA-N 1 2 226.295 1.555 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000294410637 385846896 /nfs/dbraw/zinc/84/68/96/385846896.db2.gz IYQWPOZEESXMRZ-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO CC1=C(C)CN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000337944662 385853605 /nfs/dbraw/zinc/85/36/05/385853605.db2.gz QWTWZFSCZQSVNJ-UHFFFAOYSA-N 1 2 243.314 1.910 20 0 BDADLO CO[C@H](C)CCNC(=O)Nc1cc[nH+]cc1C ZINC000271142686 385793315 /nfs/dbraw/zinc/79/33/15/385793315.db2.gz QOFAZCTVMIXYSY-SNVBAGLBSA-N 1 2 237.303 1.937 20 0 BDADLO Cc1ccoc1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000294043024 385793758 /nfs/dbraw/zinc/79/37/58/385793758.db2.gz IVMDHEZJPNEPDH-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1C(F)F ZINC000337814960 385794582 /nfs/dbraw/zinc/79/45/82/385794582.db2.gz OALHQNBRDOKEOA-BDAKNGLRSA-N 1 2 240.253 1.906 20 0 BDADLO CC(C)[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000647846275 385891327 /nfs/dbraw/zinc/89/13/27/385891327.db2.gz YIHGFNNGXOQDPY-QMMMGPOBSA-N 1 2 222.292 1.737 20 0 BDADLO CC(C)[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000647846275 385891333 /nfs/dbraw/zinc/89/13/33/385891333.db2.gz YIHGFNNGXOQDPY-QMMMGPOBSA-N 1 2 222.292 1.737 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccncc1 ZINC000272359571 385897082 /nfs/dbraw/zinc/89/70/82/385897082.db2.gz MUYOEIYNSVVUBW-LLVKDONJSA-N 1 2 244.298 1.026 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000294798965 385897450 /nfs/dbraw/zinc/89/74/50/385897450.db2.gz LHOCGKOJMHCEAN-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000294798965 385897454 /nfs/dbraw/zinc/89/74/54/385897454.db2.gz LHOCGKOJMHCEAN-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000294798970 385897896 /nfs/dbraw/zinc/89/78/96/385897896.db2.gz LHOCGKOJMHCEAN-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000294798970 385897899 /nfs/dbraw/zinc/89/78/99/385897899.db2.gz LHOCGKOJMHCEAN-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285151538 385903215 /nfs/dbraw/zinc/90/32/15/385903215.db2.gz MGJDLRICUYMRML-USWWRNFRSA-N 1 2 243.314 1.535 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294867058 385905981 /nfs/dbraw/zinc/90/59/81/385905981.db2.gz PYUIFNDFBXPVHM-LLVKDONJSA-N 1 2 228.242 1.317 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294867058 385905984 /nfs/dbraw/zinc/90/59/84/385905984.db2.gz PYUIFNDFBXPVHM-LLVKDONJSA-N 1 2 228.242 1.317 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338166644 385906591 /nfs/dbraw/zinc/90/65/91/385906591.db2.gz SIIRZXVWMYUWMT-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1nc(N[C@H]2CCS[C@H]2C)nc(N)[nH+]1 ZINC000308919441 385909490 /nfs/dbraw/zinc/90/94/90/385909490.db2.gz IKQLVXNATNEYMY-FSPLSTOPSA-N 1 2 225.321 1.068 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCS[C@H]2C)[nH+]1 ZINC000308919441 385909492 /nfs/dbraw/zinc/90/94/92/385909492.db2.gz IKQLVXNATNEYMY-FSPLSTOPSA-N 1 2 225.321 1.068 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCOCC1)c1[nH]cc[nH+]1 ZINC000518796299 385910922 /nfs/dbraw/zinc/91/09/22/385910922.db2.gz ZUFLEVQMFVIXDT-ZJUUUORDSA-N 1 2 237.303 1.404 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H]1C(F)F ZINC000338182560 385912823 /nfs/dbraw/zinc/91/28/23/385912823.db2.gz XGRJLERETUHAOB-RNFRBKRXSA-N 1 2 229.230 1.269 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1nc(C2CC2)no1 ZINC000308946968 385914822 /nfs/dbraw/zinc/91/48/22/385914822.db2.gz OAJBVHWPWCSUES-SSDOTTSWSA-N 1 2 211.265 1.072 20 0 BDADLO COC[C@@](C)([NH2+]CCCC(C)C)C(=O)OC ZINC000336767999 385918561 /nfs/dbraw/zinc/91/85/61/385918561.db2.gz QMPXPELJGZGMFS-GFCCVEGCSA-N 1 2 231.336 1.590 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342095215 385924571 /nfs/dbraw/zinc/92/45/71/385924571.db2.gz LOHJTRARZOHZIU-SDDRHHMPSA-N 1 2 240.347 1.154 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342095215 385924579 /nfs/dbraw/zinc/92/45/79/385924579.db2.gz LOHJTRARZOHZIU-SDDRHHMPSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1ccncc1F ZINC000337952869 385860760 /nfs/dbraw/zinc/86/07/60/385860760.db2.gz FQYRFIPULKABLK-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000647808471 385864800 /nfs/dbraw/zinc/86/48/00/385864800.db2.gz NSRMORIXGQNJBU-IWSPIJDZSA-N 1 2 223.276 1.012 20 0 BDADLO C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000284385806 385865713 /nfs/dbraw/zinc/86/57/13/385865713.db2.gz MJGZLFLAIHQTGU-OHINUGQQSA-N 1 2 219.288 1.680 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1conc1C ZINC000294564871 385868302 /nfs/dbraw/zinc/86/83/02/385868302.db2.gz GCGPPGMRZBVZPT-SECBINFHSA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1conc1C ZINC000294564871 385868307 /nfs/dbraw/zinc/86/83/07/385868307.db2.gz GCGPPGMRZBVZPT-SECBINFHSA-N 1 2 240.303 1.757 20 0 BDADLO Cc1ccn(C)c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735225 385874890 /nfs/dbraw/zinc/87/48/90/385874890.db2.gz WYVPYVYLRGDDFE-UHFFFAOYSA-N 1 2 244.298 1.255 20 0 BDADLO Cc1ccn(C)c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735225 385874894 /nfs/dbraw/zinc/87/48/94/385874894.db2.gz WYVPYVYLRGDDFE-UHFFFAOYSA-N 1 2 244.298 1.255 20 0 BDADLO CC(C)(C)CCNC(=O)CCn1cc[nH+]c1 ZINC000338024283 385876528 /nfs/dbraw/zinc/87/65/28/385876528.db2.gz VMVRMYDQSDHPSK-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000647735750 385877830 /nfs/dbraw/zinc/87/78/30/385877830.db2.gz KEPSURZPDRFWLN-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO CC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000647735750 385877835 /nfs/dbraw/zinc/87/78/35/385877835.db2.gz KEPSURZPDRFWLN-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO CCCCC(=O)NCc1c[nH+]ccc1OC ZINC000294669056 385879962 /nfs/dbraw/zinc/87/99/62/385879962.db2.gz SCQMVCRMKSXWJS-UHFFFAOYSA-N 1 2 222.288 1.897 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCCCO)s1 ZINC000338354918 385976714 /nfs/dbraw/zinc/97/67/14/385976714.db2.gz ZTBMKDGBTZAMJQ-MRVPVSSYSA-N 1 2 229.349 1.612 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCCCO)s1 ZINC000338354918 385976717 /nfs/dbraw/zinc/97/67/17/385976717.db2.gz ZTBMKDGBTZAMJQ-MRVPVSSYSA-N 1 2 229.349 1.612 20 0 BDADLO CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335018391 385978758 /nfs/dbraw/zinc/97/87/58/385978758.db2.gz HHVDHACFOSYRIH-KGLIPLIRSA-N 1 2 239.407 1.720 20 0 BDADLO CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335018392 385978888 /nfs/dbraw/zinc/97/88/88/385978888.db2.gz HHVDHACFOSYRIH-UONOGXRCSA-N 1 2 239.407 1.720 20 0 BDADLO COC(=O)C[N@@H+](C[C@H](OC)C1CC1)C1CC1 ZINC000425416587 385995103 /nfs/dbraw/zinc/99/51/03/385995103.db2.gz GTZIFJDREPWNDE-NSHDSACASA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@H+](C[C@H](OC)C1CC1)C1CC1 ZINC000425416587 385995108 /nfs/dbraw/zinc/99/51/08/385995108.db2.gz GTZIFJDREPWNDE-NSHDSACASA-N 1 2 227.304 1.049 20 0 BDADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000334341905 385989353 /nfs/dbraw/zinc/98/93/53/385989353.db2.gz PBZQBDRMUQKRMO-BDAKNGLRSA-N 1 2 247.298 1.147 20 0 BDADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@H]1C ZINC000334341905 385989354 /nfs/dbraw/zinc/98/93/54/385989354.db2.gz PBZQBDRMUQKRMO-BDAKNGLRSA-N 1 2 247.298 1.147 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000338393080 385990329 /nfs/dbraw/zinc/99/03/29/385990329.db2.gz LNOVCRXDAOPJIN-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000338393080 385990341 /nfs/dbraw/zinc/99/03/41/385990341.db2.gz LNOVCRXDAOPJIN-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000338393081 385990375 /nfs/dbraw/zinc/99/03/75/385990375.db2.gz LNOVCRXDAOPJIN-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000338393081 385990382 /nfs/dbraw/zinc/99/03/82/385990382.db2.gz LNOVCRXDAOPJIN-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CC[C@@H](F)C1 ZINC000345084210 385992229 /nfs/dbraw/zinc/99/22/29/385992229.db2.gz VSOLLORZQKRDML-ZJUUUORDSA-N 1 2 240.282 1.073 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000285477763 385932019 /nfs/dbraw/zinc/93/20/19/385932019.db2.gz BOWFRLPYHRHHLR-QMMMGPOBSA-N 1 2 212.293 1.758 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000285477763 385932023 /nfs/dbraw/zinc/93/20/23/385932023.db2.gz BOWFRLPYHRHHLR-QMMMGPOBSA-N 1 2 212.293 1.758 20 0 BDADLO Cc1cc(C)c(CNS(=O)(=O)C2CC2)c[nH+]1 ZINC000335041567 385934074 /nfs/dbraw/zinc/93/40/74/385934074.db2.gz PZSSQQQQKBUFNC-UHFFFAOYSA-N 1 2 240.328 1.280 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)s1 ZINC000338273494 385937682 /nfs/dbraw/zinc/93/76/82/385937682.db2.gz FSVCTQOVHHVDAC-RKDXNWHRSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOC[C@H](C)C2)s1 ZINC000338273494 385937688 /nfs/dbraw/zinc/93/76/88/385937688.db2.gz FSVCTQOVHHVDAC-RKDXNWHRSA-N 1 2 241.360 1.876 20 0 BDADLO COc1ncc(C[NH2+]Cc2cc[nH]n2)s1 ZINC000309023588 385938649 /nfs/dbraw/zinc/93/86/49/385938649.db2.gz WNADDJNUXVZALR-UHFFFAOYSA-N 1 2 224.289 1.165 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)NCCF ZINC000282676761 385941837 /nfs/dbraw/zinc/94/18/37/385941837.db2.gz JKRAQYIKTWIVFI-HTQZYQBOSA-N 1 2 245.323 1.268 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1conc1C ZINC000295010188 385942021 /nfs/dbraw/zinc/94/20/21/385942021.db2.gz VLVYLDWINVNNEO-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1conc1C ZINC000295010188 385942027 /nfs/dbraw/zinc/94/20/27/385942027.db2.gz VLVYLDWINVNNEO-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO COCC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425398515 385947858 /nfs/dbraw/zinc/94/78/58/385947858.db2.gz AQVZFVVRAJWNOB-UHFFFAOYSA-N 1 2 221.207 1.085 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425398515 385947863 /nfs/dbraw/zinc/94/78/63/385947863.db2.gz AQVZFVVRAJWNOB-UHFFFAOYSA-N 1 2 221.207 1.085 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nccn1C(C)C ZINC000285703982 385956812 /nfs/dbraw/zinc/95/68/12/385956812.db2.gz OKYDTIABYTXJBA-NSHDSACASA-N 1 2 225.336 1.931 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nccn1C(C)C ZINC000285703982 385956820 /nfs/dbraw/zinc/95/68/20/385956820.db2.gz OKYDTIABYTXJBA-NSHDSACASA-N 1 2 225.336 1.931 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000355162465 385957211 /nfs/dbraw/zinc/95/72/11/385957211.db2.gz WSKMLBKDVZHCHF-WCFLWFBJSA-N 1 2 233.311 1.941 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000072975987 385964311 /nfs/dbraw/zinc/96/43/11/385964311.db2.gz XWDPCSBWCWXUGO-LLVKDONJSA-N 1 2 239.319 1.627 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000072975987 385964318 /nfs/dbraw/zinc/96/43/18/385964318.db2.gz XWDPCSBWCWXUGO-LLVKDONJSA-N 1 2 239.319 1.627 20 0 BDADLO C[C@H](NCC[NH+]1CCC1)c1cc2n(n1)CCC2 ZINC000414101405 385964821 /nfs/dbraw/zinc/96/48/21/385964821.db2.gz LXDXZZWDWONZJL-NSHDSACASA-N 1 2 234.347 1.186 20 0 BDADLO COC(=O)C[N@H+](CCSC(C)C)C1CC1 ZINC000338319731 385966940 /nfs/dbraw/zinc/96/69/40/385966940.db2.gz RQHSGUIYWLSIBV-UHFFFAOYSA-N 1 2 231.361 1.765 20 0 BDADLO COC(=O)C[N@@H+](CCSC(C)C)C1CC1 ZINC000338319731 385966947 /nfs/dbraw/zinc/96/69/47/385966947.db2.gz RQHSGUIYWLSIBV-UHFFFAOYSA-N 1 2 231.361 1.765 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000644850151 385967560 /nfs/dbraw/zinc/96/75/60/385967560.db2.gz WTNHLFTZUAZHNR-YFKTTZPYSA-N 1 2 245.326 1.360 20 0 BDADLO OCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425403685 385967706 /nfs/dbraw/zinc/96/77/06/385967706.db2.gz INZWLWDFTXDIBO-UHFFFAOYSA-N 1 2 247.245 1.212 20 0 BDADLO CC(=O)CC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285867957 385971334 /nfs/dbraw/zinc/97/13/34/385971334.db2.gz YTLGHWPBSSDMQH-JTQLQIEISA-N 1 2 223.276 1.494 20 0 BDADLO CC(=O)CC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285867957 385971340 /nfs/dbraw/zinc/97/13/40/385971340.db2.gz YTLGHWPBSSDMQH-JTQLQIEISA-N 1 2 223.276 1.494 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)o1 ZINC000189287801 385972602 /nfs/dbraw/zinc/97/26/02/385972602.db2.gz IVLZEMDGJNUEED-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)o1 ZINC000189287801 385972607 /nfs/dbraw/zinc/97/26/07/385972607.db2.gz IVLZEMDGJNUEED-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO Cc1noc(C)c1C[NH2+]CN1CCC(=O)CC1 ZINC000273119876 385972662 /nfs/dbraw/zinc/97/26/62/385972662.db2.gz SKPYBEBFJPJYKT-UHFFFAOYSA-N 1 2 237.303 1.003 20 0 BDADLO Cc1n[nH]cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000335066417 386007412 /nfs/dbraw/zinc/00/74/12/386007412.db2.gz DJJXUAPSACZKEK-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CN(CCC(N)=O)c1cc(C(F)(F)F)cc[nH+]1 ZINC000286216978 386008667 /nfs/dbraw/zinc/00/86/67/386008667.db2.gz BOIBOIBBCXNPJV-UHFFFAOYSA-N 1 2 247.220 1.412 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2ccccn2)n1 ZINC000295347728 386017986 /nfs/dbraw/zinc/01/79/86/386017986.db2.gz IHJMGPQXKYRMOV-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2ccccn2)n1 ZINC000295347728 386017989 /nfs/dbraw/zinc/01/79/89/386017989.db2.gz IHJMGPQXKYRMOV-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1cc(CNC(=O)C(C)C)cc(C)[nH+]1 ZINC000335071027 386018907 /nfs/dbraw/zinc/01/89/07/386018907.db2.gz OXWQIBXTTAGIOT-UHFFFAOYSA-N 1 2 206.289 1.971 20 0 BDADLO O=C(CCCC1CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000643270307 386019597 /nfs/dbraw/zinc/01/95/97/386019597.db2.gz SCAJSHIVGQLHFS-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000295385157 386022788 /nfs/dbraw/zinc/02/27/88/386022788.db2.gz PJPAVXNUORDOPI-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000295385157 386022794 /nfs/dbraw/zinc/02/27/94/386022794.db2.gz PJPAVXNUORDOPI-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO C[NH2+]Cc1noc([C@H]2Cc3cccc(C)c3O2)n1 ZINC000414638970 386023401 /nfs/dbraw/zinc/02/34/01/386023401.db2.gz FVGIKFFTVGAGKJ-SNVBAGLBSA-N 1 2 245.282 1.774 20 0 BDADLO CCc1ccccc1Cc1nc(C[NH2+]C)no1 ZINC000414637268 386024606 /nfs/dbraw/zinc/02/46/06/386024606.db2.gz BTOWNKSYGGNDBQ-UHFFFAOYSA-N 1 2 231.299 1.942 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)C(C)C ZINC000414182831 386025298 /nfs/dbraw/zinc/02/52/98/386025298.db2.gz MXHNNWZCKGBXKE-YUSALJHKSA-N 1 2 243.347 1.587 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@@H]1CCC[C@H](C)C1 ZINC000414185437 386025878 /nfs/dbraw/zinc/02/58/78/386025878.db2.gz ONHLGPNPWJAVTJ-LOWVWBTDSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@@H]1CCC[C@H](C)C1 ZINC000414185437 386025885 /nfs/dbraw/zinc/02/58/85/386025885.db2.gz ONHLGPNPWJAVTJ-LOWVWBTDSA-N 1 2 224.348 1.981 20 0 BDADLO Cn1cc(C[N@@H+]2CCOC[C@H]2CC(F)F)cn1 ZINC000286413969 386036025 /nfs/dbraw/zinc/03/60/25/386036025.db2.gz KEMDSTUYXMHSTP-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cc(C[N@H+]2CCOC[C@H]2CC(F)F)cn1 ZINC000286413969 386036030 /nfs/dbraw/zinc/03/60/30/386036030.db2.gz KEMDSTUYXMHSTP-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cc1nocc1C[N@H+](CCO)Cc1cccnc1 ZINC000295462509 386036388 /nfs/dbraw/zinc/03/63/88/386036388.db2.gz WBLVARTWGGZGTK-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1nocc1C[N@@H+](CCO)Cc1cccnc1 ZINC000295462509 386036391 /nfs/dbraw/zinc/03/63/91/386036391.db2.gz WBLVARTWGGZGTK-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO CCN(C(=O)NCc1[nH+]ccn1CC)C(C)C ZINC000295469889 386037572 /nfs/dbraw/zinc/03/75/72/386037572.db2.gz LTWVRJVDYKMFNY-UHFFFAOYSA-N 1 2 238.335 1.843 20 0 BDADLO C[NH2+]Cc1noc(C[C@H]2CCC[C@H]2C)n1 ZINC000414644435 386042703 /nfs/dbraw/zinc/04/27/03/386042703.db2.gz OFGVCCKDKQQXFS-RKDXNWHRSA-N 1 2 209.293 1.768 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000295528912 386047534 /nfs/dbraw/zinc/04/75/34/386047534.db2.gz NGNVNJQKRZWIPN-SNVBAGLBSA-N 1 2 214.334 1.736 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000295528912 386047538 /nfs/dbraw/zinc/04/75/38/386047538.db2.gz NGNVNJQKRZWIPN-SNVBAGLBSA-N 1 2 214.334 1.736 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000425426757 386049419 /nfs/dbraw/zinc/04/94/19/386049419.db2.gz WPNLQXWJRVMFKB-CMPLNLGQSA-N 1 2 229.320 1.343 20 0 BDADLO CCOCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273922568 386050466 /nfs/dbraw/zinc/05/04/66/386050466.db2.gz LGGLCLUOIIZDTE-UHFFFAOYSA-N 1 2 233.271 1.900 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)CC2)s1 ZINC000645268439 385995630 /nfs/dbraw/zinc/99/56/30/385995630.db2.gz VXSCQZAKHHXYLU-SECBINFHSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)CC2)s1 ZINC000645268439 385995632 /nfs/dbraw/zinc/99/56/32/385995632.db2.gz VXSCQZAKHHXYLU-SECBINFHSA-N 1 2 241.360 1.447 20 0 BDADLO C[C@H](CF)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000287235880 386103222 /nfs/dbraw/zinc/10/32/22/386103222.db2.gz OHZUFPLPGAJTET-PWSUYJOCSA-N 1 2 238.306 1.764 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnn1C)c1ccon1 ZINC000336772826 386104259 /nfs/dbraw/zinc/10/42/59/386104259.db2.gz YIZROUULMFKTNP-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO CC[C@@H](C)[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000295903428 386104389 /nfs/dbraw/zinc/10/43/89/386104389.db2.gz ZIKBCAZHUUBGSX-LDYMZIIASA-N 1 2 239.319 1.509 20 0 BDADLO C[C@@H](CF)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000287235873 386104642 /nfs/dbraw/zinc/10/46/42/386104642.db2.gz OHZUFPLPGAJTET-CMPLNLGQSA-N 1 2 238.306 1.764 20 0 BDADLO Cn1ccc(C[NH2+][C@H](CCO)c2ccco2)n1 ZINC000274461052 386109047 /nfs/dbraw/zinc/10/90/47/386109047.db2.gz XKVJZWOCJLVILU-LLVKDONJSA-N 1 2 235.287 1.226 20 0 BDADLO CC(C)[N@H+](Cc1cncnc1)C1COC1 ZINC000295934518 386109778 /nfs/dbraw/zinc/10/97/78/386109778.db2.gz FYFOLYCFLKULBN-UHFFFAOYSA-N 1 2 207.277 1.086 20 0 BDADLO CC(C)[N@@H+](Cc1cncnc1)C1COC1 ZINC000295934518 386109780 /nfs/dbraw/zinc/10/97/80/386109780.db2.gz FYFOLYCFLKULBN-UHFFFAOYSA-N 1 2 207.277 1.086 20 0 BDADLO CC(C)[N@H+](Cc1ccccn1)C1COC1 ZINC000295971979 386113294 /nfs/dbraw/zinc/11/32/94/386113294.db2.gz IQPMDYNIWIOLEV-UHFFFAOYSA-N 1 2 206.289 1.691 20 0 BDADLO CC(C)[N@@H+](Cc1ccccn1)C1COC1 ZINC000295971979 386113299 /nfs/dbraw/zinc/11/32/99/386113299.db2.gz IQPMDYNIWIOLEV-UHFFFAOYSA-N 1 2 206.289 1.691 20 0 BDADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000343173091 386116781 /nfs/dbraw/zinc/11/67/81/386116781.db2.gz YVUQVDGCOGPDJK-SECBINFHSA-N 1 2 219.288 1.066 20 0 BDADLO Cc1cc(C[N@H+](C)CCOC2CCC2)no1 ZINC000287413626 386118405 /nfs/dbraw/zinc/11/84/05/386118405.db2.gz SMXFXBKRBCFWIH-UHFFFAOYSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOC2CCC2)no1 ZINC000287413626 386118412 /nfs/dbraw/zinc/11/84/12/386118412.db2.gz SMXFXBKRBCFWIH-UHFFFAOYSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1ccc(Cc2noc([C@H]3CCOC3)n2)c[nH+]1 ZINC000274013594 386059375 /nfs/dbraw/zinc/05/93/75/386059375.db2.gz WKSZURYQBQCDFH-NSHDSACASA-N 1 2 245.282 1.868 20 0 BDADLO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331837764 386071994 /nfs/dbraw/zinc/07/19/94/386071994.db2.gz YZWAOAZMWUUPGE-PPKCKEKNSA-N 1 2 239.319 1.527 20 0 BDADLO C[C@H](CC[NH3+])[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414886364 386074488 /nfs/dbraw/zinc/07/44/88/386074488.db2.gz PVBIXTDWBOCSRG-GFCCVEGCSA-N 1 2 244.342 1.699 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000334445134 386078201 /nfs/dbraw/zinc/07/82/01/386078201.db2.gz OBIKGAIBPDVARI-ONGXEEELSA-N 1 2 229.283 1.863 20 0 BDADLO c1coc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)c1 ZINC000274181373 386081625 /nfs/dbraw/zinc/08/16/25/386081625.db2.gz ZKKGJGDBAYWGHD-SECBINFHSA-N 1 2 246.270 1.002 20 0 BDADLO O=C(c1cccnc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334448827 386083987 /nfs/dbraw/zinc/08/39/87/386083987.db2.gz RLKHDXVCHDZVNW-NSHDSACASA-N 1 2 242.282 1.782 20 0 BDADLO c1cc2[nH+]ccc(N3CCO[C@H]4C[C@H]43)c2cn1 ZINC000366115282 386084925 /nfs/dbraw/zinc/08/49/25/386084925.db2.gz ZWYBYHNQXYOCPE-OLZOCXBDSA-N 1 2 227.267 1.607 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)[C@@H]1CO ZINC000189728056 386085471 /nfs/dbraw/zinc/08/54/71/386085471.db2.gz FXUNVUSAVQZMSP-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)[C@@H]1CO ZINC000189728056 386085478 /nfs/dbraw/zinc/08/54/78/386085478.db2.gz FXUNVUSAVQZMSP-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO c1nc(N2CCO[C@@H]3C[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC000366111291 386085602 /nfs/dbraw/zinc/08/56/02/386085602.db2.gz LVWKWMWZDOIMJU-WDEREUQCSA-N 1 2 246.314 1.054 20 0 BDADLO c1nc(N2CCCC2)cc(N2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000366111291 386085605 /nfs/dbraw/zinc/08/56/05/386085605.db2.gz LVWKWMWZDOIMJU-WDEREUQCSA-N 1 2 246.314 1.054 20 0 BDADLO c1nc(N2CCO[C@H]3C[C@H]32)cc(N2CCCC2)[nH+]1 ZINC000366111287 386086034 /nfs/dbraw/zinc/08/60/34/386086034.db2.gz LVWKWMWZDOIMJU-MNOVXSKESA-N 1 2 246.314 1.054 20 0 BDADLO c1nc(N2CCCC2)cc(N2CCO[C@H]3C[C@H]32)[nH+]1 ZINC000366111287 386086038 /nfs/dbraw/zinc/08/60/38/386086038.db2.gz LVWKWMWZDOIMJU-MNOVXSKESA-N 1 2 246.314 1.054 20 0 BDADLO CN(C)c1ccccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000367785483 386087550 /nfs/dbraw/zinc/08/75/50/386087550.db2.gz WOFXVMKKJIOZFS-KGLIPLIRSA-N 1 2 232.327 1.726 20 0 BDADLO CN(C)c1ccccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000367785483 386087555 /nfs/dbraw/zinc/08/75/55/386087555.db2.gz WOFXVMKKJIOZFS-KGLIPLIRSA-N 1 2 232.327 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)on1 ZINC000286978151 386089563 /nfs/dbraw/zinc/08/95/63/386089563.db2.gz PTQNCNGRDNMDSW-NSHDSACASA-N 1 2 228.267 1.279 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@](F)(CO)C2)on1 ZINC000286978151 386089567 /nfs/dbraw/zinc/08/95/67/386089567.db2.gz PTQNCNGRDNMDSW-NSHDSACASA-N 1 2 228.267 1.279 20 0 BDADLO CC[C@@H](CO)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000295832021 386092530 /nfs/dbraw/zinc/09/25/30/386092530.db2.gz QMTVUQCVTZGZCL-NSHDSACASA-N 1 2 247.298 1.177 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCC[C@H]1O ZINC000425459830 386100323 /nfs/dbraw/zinc/10/03/23/386100323.db2.gz QCHSBTFWKLTRPO-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCC[C@H]1O ZINC000425459830 386100327 /nfs/dbraw/zinc/10/03/27/386100327.db2.gz QCHSBTFWKLTRPO-RNFRBKRXSA-N 1 2 247.245 1.352 20 0 BDADLO Nc1ccc(NC(=O)C2CCSCC2)c[nH+]1 ZINC000262495830 386145001 /nfs/dbraw/zinc/14/50/01/386145001.db2.gz CQRAIVNJICJMRO-UHFFFAOYSA-N 1 2 237.328 1.746 20 0 BDADLO CO[C@@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296219409 386151312 /nfs/dbraw/zinc/15/13/12/386151312.db2.gz ROZJNQJHTYLILO-QMMMGPOBSA-N 1 2 248.282 1.822 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CC[C@H]2O)c[nH+]1 ZINC000335158103 386152448 /nfs/dbraw/zinc/15/24/48/386152448.db2.gz VWNCKHACZSOBCG-VXGBXAGGSA-N 1 2 249.314 1.021 20 0 BDADLO CC(C)=CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287932999 386155740 /nfs/dbraw/zinc/15/57/40/386155740.db2.gz GPUMEBJRNBGHQB-UHFFFAOYSA-N 1 2 207.277 1.425 20 0 BDADLO CN(CC(C)(C)CO)c1cc[nH+]c(C2CC2)n1 ZINC000296260042 386156558 /nfs/dbraw/zinc/15/65/58/386156558.db2.gz JKICHPAMNBVNOT-UHFFFAOYSA-N 1 2 235.331 1.809 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCSC1 ZINC000287933772 386156907 /nfs/dbraw/zinc/15/69/07/386156907.db2.gz WUSHFSHWKTYHGU-VIFPVBQESA-N 1 2 239.344 1.354 20 0 BDADLO CSCCCC(=O)NCc1[nH+]ccn1C ZINC000346084126 386158791 /nfs/dbraw/zinc/15/87/91/386158791.db2.gz JFBGSRATJZFASX-UHFFFAOYSA-N 1 2 227.333 1.180 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)CO1 ZINC000645391682 386161584 /nfs/dbraw/zinc/16/15/84/386161584.db2.gz KZGHOVCTDCHYNG-NXEZZACHSA-N 1 2 235.331 1.785 20 0 BDADLO Cc1nc(NC2C[C@@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000310231151 386168190 /nfs/dbraw/zinc/16/81/90/386168190.db2.gz JQHYECHNVMCNHC-YUMQZZPRSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(NC2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000310231151 386168194 /nfs/dbraw/zinc/16/81/94/386168194.db2.gz JQHYECHNVMCNHC-YUMQZZPRSA-N 1 2 235.335 1.999 20 0 BDADLO C[C@H]1C[N@H+](C/C=C/c2ccncc2)CC(=O)N1C ZINC000334479979 386170604 /nfs/dbraw/zinc/17/06/04/386170604.db2.gz SWOODOBLMZASTJ-PCAWENJQSA-N 1 2 245.326 1.257 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C/c2ccncc2)CC(=O)N1C ZINC000334479979 386170609 /nfs/dbraw/zinc/17/06/09/386170609.db2.gz SWOODOBLMZASTJ-PCAWENJQSA-N 1 2 245.326 1.257 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ncccc1C ZINC000275123239 386183483 /nfs/dbraw/zinc/18/34/83/386183483.db2.gz PZFSVIXMVWSFIA-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ncccc1C ZINC000275123239 386183485 /nfs/dbraw/zinc/18/34/85/386183485.db2.gz PZFSVIXMVWSFIA-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccn1 ZINC000263902354 386187103 /nfs/dbraw/zinc/18/71/03/386187103.db2.gz JLSFVFKOXOMDFX-UHFFFAOYSA-N 1 2 245.286 1.479 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H](O)C(C)(C)C)no1 ZINC000340277120 386187991 /nfs/dbraw/zinc/18/79/91/386187991.db2.gz GRPWRZPRRRGXDX-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H](O)C(C)(C)C)no1 ZINC000340277120 386187996 /nfs/dbraw/zinc/18/79/96/386187996.db2.gz GRPWRZPRRRGXDX-VIFPVBQESA-N 1 2 227.308 1.217 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnccn2)C[C@H](CC)O1 ZINC000643294877 386132611 /nfs/dbraw/zinc/13/26/11/386132611.db2.gz GVPSQNQSVNZEPD-BETUJISGSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnccn2)C[C@H](CC)O1 ZINC000643294877 386132618 /nfs/dbraw/zinc/13/26/18/386132618.db2.gz GVPSQNQSVNZEPD-BETUJISGSA-N 1 2 235.331 1.866 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274715747 386141422 /nfs/dbraw/zinc/14/14/22/386141422.db2.gz MWIXHFOYHLERFQ-FRRDWIJNSA-N 1 2 249.358 1.928 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338793067 386141448 /nfs/dbraw/zinc/14/14/48/386141448.db2.gz NSXRKPMFYOABRL-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338793067 386141454 /nfs/dbraw/zinc/14/14/54/386141454.db2.gz NSXRKPMFYOABRL-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2CCC[C@H]21 ZINC000287684399 386143022 /nfs/dbraw/zinc/14/30/22/386143022.db2.gz IGKAURPRJVMJIL-GHMZBOCLSA-N 1 2 249.314 1.122 20 0 BDADLO CCC[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOC1 ZINC000287688388 386143129 /nfs/dbraw/zinc/14/31/29/386143129.db2.gz CUZGFJRTYGDFMT-ITDFMYJTSA-N 1 2 249.314 1.498 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H]2CCC[C@@H]21 ZINC000287684409 386143633 /nfs/dbraw/zinc/14/36/33/386143633.db2.gz IGKAURPRJVMJIL-QWRGUYRKSA-N 1 2 249.314 1.122 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000264017894 386202498 /nfs/dbraw/zinc/20/24/98/386202498.db2.gz LFCYHCLGVOBLJU-GFCCVEGCSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1noc(C[N@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000264017894 386202502 /nfs/dbraw/zinc/20/25/02/386202502.db2.gz LFCYHCLGVOBLJU-GFCCVEGCSA-N 1 2 247.298 1.543 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CC(F)F)CCCO1 ZINC000645276116 386204229 /nfs/dbraw/zinc/20/42/29/386204229.db2.gz QBKJYYXZCYWQRP-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CC(F)F)CCCO1 ZINC000645276116 386204235 /nfs/dbraw/zinc/20/42/35/386204235.db2.gz QBKJYYXZCYWQRP-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc(C)no2)CCO1 ZINC000276004163 386259597 /nfs/dbraw/zinc/25/95/97/386259597.db2.gz IGCKJGITJKHUGD-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000276004163 386259601 /nfs/dbraw/zinc/25/96/01/386259601.db2.gz IGCKJGITJKHUGD-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccncc1C ZINC000296921634 386213212 /nfs/dbraw/zinc/21/32/12/386213212.db2.gz RXFWIQLOKMGFAZ-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccncc1C ZINC000296921634 386213218 /nfs/dbraw/zinc/21/32/18/386213218.db2.gz RXFWIQLOKMGFAZ-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO Cc1cc(CNC(=O)c2cocn2)cc(C)[nH+]1 ZINC000643318623 386217976 /nfs/dbraw/zinc/21/79/76/386217976.db2.gz AKGLNGHWMBUEGG-UHFFFAOYSA-N 1 2 231.255 1.616 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NCc1[nH+]ccn1C ZINC000416151444 386220617 /nfs/dbraw/zinc/22/06/17/386220617.db2.gz QGADLZRQCFQYND-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCCc2occc2C1 ZINC000288642144 386222436 /nfs/dbraw/zinc/22/24/36/386222436.db2.gz ASHVHKBFPLRDQL-VIFPVBQESA-N 1 2 223.272 1.589 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCCc2occc2C1 ZINC000288642144 386222440 /nfs/dbraw/zinc/22/24/40/386222440.db2.gz ASHVHKBFPLRDQL-VIFPVBQESA-N 1 2 223.272 1.589 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC=CCC1 ZINC000264274190 386223622 /nfs/dbraw/zinc/22/36/22/386223622.db2.gz GZJPTWBOPORWKF-SNVBAGLBSA-N 1 2 219.288 1.393 20 0 BDADLO C[C@H]1C[N@H+](CCOC2CCC2)CC[S@]1=O ZINC000347038261 386225454 /nfs/dbraw/zinc/22/54/54/386225454.db2.gz UWKRFDQELVRIPJ-ZUZCIYMTSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@H]1C[N@@H+](CCOC2CCC2)CC[S@]1=O ZINC000347038261 386225462 /nfs/dbraw/zinc/22/54/62/386225462.db2.gz UWKRFDQELVRIPJ-ZUZCIYMTSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCC[C@H]2C)nc[nH+]1 ZINC000264318634 386227381 /nfs/dbraw/zinc/22/73/81/386227381.db2.gz JIJYXHFTPLFKHL-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCC[C@H]2C)[nH+]cn1 ZINC000264318634 386227384 /nfs/dbraw/zinc/22/73/84/386227384.db2.gz JIJYXHFTPLFKHL-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CCc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000264368296 386228726 /nfs/dbraw/zinc/22/87/26/386228726.db2.gz ZYKLFOXIFNLBCZ-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO CC/C(C)=C/C(=O)NCc1[nH+]ccn1CC ZINC000297185656 386230697 /nfs/dbraw/zinc/23/06/97/386230697.db2.gz LJTJTXLCEITVND-CSKARUKUSA-N 1 2 221.304 1.876 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)co1 ZINC000275697150 386230747 /nfs/dbraw/zinc/23/07/47/386230747.db2.gz QGOKIROSAHAOQG-SECBINFHSA-N 1 2 233.271 1.603 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1cnn(C)c1 ZINC000336742817 386250636 /nfs/dbraw/zinc/25/06/36/386250636.db2.gz OOEFUYUQKNMXSV-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000336643583 386250886 /nfs/dbraw/zinc/25/08/86/386250886.db2.gz DBGJGEMNTYJANB-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000336643583 386250888 /nfs/dbraw/zinc/25/08/88/386250888.db2.gz DBGJGEMNTYJANB-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cn1cc[nH+]c1CNc1nccnc1C(F)F ZINC000289010933 386251196 /nfs/dbraw/zinc/25/11/96/386251196.db2.gz XHDTURYTXWVLNH-UHFFFAOYSA-N 1 2 239.229 1.760 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc[nH]c1 ZINC000264597249 386252179 /nfs/dbraw/zinc/25/21/79/386252179.db2.gz UAYXZCIADZIBAF-VIFPVBQESA-N 1 2 218.260 1.030 20 0 BDADLO C[C@H](CO)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275907446 386253281 /nfs/dbraw/zinc/25/32/81/386253281.db2.gz WLOFNCVXRSATDP-JQWIXIFHSA-N 1 2 246.314 1.112 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2ccccn2)c[nH+]1 ZINC000264645256 386256542 /nfs/dbraw/zinc/25/65/42/386256542.db2.gz FRVGTDNULQQTIC-MRVPVSSYSA-N 1 2 230.271 1.604 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](O)C2)c(C)[nH+]1 ZINC000296741233 386196803 /nfs/dbraw/zinc/19/68/03/386196803.db2.gz XPOGXNJRICYLRX-AOOOYVTPSA-N 1 2 235.287 1.343 20 0 BDADLO CSc1cncc(N(C)Cc2[nH+]ccn2C)n1 ZINC000131197628 386197930 /nfs/dbraw/zinc/19/79/30/386197930.db2.gz OHAPJYSRXOUKJP-UHFFFAOYSA-N 1 2 249.343 1.568 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)nn1 ZINC000414376073 386198061 /nfs/dbraw/zinc/19/80/61/386198061.db2.gz BPOXRGVDJHTEIY-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)nn1 ZINC000414376073 386198063 /nfs/dbraw/zinc/19/80/63/386198063.db2.gz BPOXRGVDJHTEIY-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)o1 ZINC000275281195 386199045 /nfs/dbraw/zinc/19/90/45/386199045.db2.gz VKABZKZTOYNCNJ-UHFFFAOYSA-N 1 2 222.288 1.410 20 0 BDADLO COc1cc[nH+]cc1CN1C(=O)CC(C)CC1=O ZINC000288438064 386199229 /nfs/dbraw/zinc/19/92/29/386199229.db2.gz DVMOICMVHQPJEX-UHFFFAOYSA-N 1 2 248.282 1.375 20 0 BDADLO CO[C@H]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000340583476 386281444 /nfs/dbraw/zinc/28/14/44/386281444.db2.gz DPMKLEHHDZTPJE-MNOVXSKESA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@H]1CCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000340583476 386281449 /nfs/dbraw/zinc/28/14/49/386281449.db2.gz DPMKLEHHDZTPJE-MNOVXSKESA-N 1 2 237.303 1.231 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2ccc(C)nn2)CCO1 ZINC000414395173 386283142 /nfs/dbraw/zinc/28/31/42/386283142.db2.gz MIVOVEUFPXKDAK-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2ccc(C)nn2)CCO1 ZINC000414395173 386283145 /nfs/dbraw/zinc/28/31/45/386283145.db2.gz MIVOVEUFPXKDAK-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC(=O)c1cc(C(=O)NCc2c[nH+]c[nH]2)cs1 ZINC000340585537 386284450 /nfs/dbraw/zinc/28/44/50/386284450.db2.gz XFNOVZANAQZJEY-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO CC(=O)c1cc(C(=O)NCc2c[nH]c[nH+]2)cs1 ZINC000340585537 386284458 /nfs/dbraw/zinc/28/44/58/386284458.db2.gz XFNOVZANAQZJEY-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000289379448 386292030 /nfs/dbraw/zinc/29/20/30/386292030.db2.gz PIQFWXBUDJLOPP-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000289379448 386292032 /nfs/dbraw/zinc/29/20/32/386292032.db2.gz PIQFWXBUDJLOPP-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000276253805 386292382 /nfs/dbraw/zinc/29/23/82/386292382.db2.gz MBYRNHJWBXTUIK-ZCFIWIBFSA-N 1 2 232.291 1.156 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1ccc(F)cn1 ZINC000276290218 386296953 /nfs/dbraw/zinc/29/69/53/386296953.db2.gz VQAXNKCFSNQEFZ-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000414399438 386297055 /nfs/dbraw/zinc/29/70/55/386297055.db2.gz SRHNMFWUZOTGHO-QEKSWQHZSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000414399438 386297059 /nfs/dbraw/zinc/29/70/59/386297059.db2.gz SRHNMFWUZOTGHO-QEKSWQHZSA-N 1 2 241.356 1.929 20 0 BDADLO COCCn1c2ccccc2[nH+]c1NCCO ZINC000298159112 386302661 /nfs/dbraw/zinc/30/26/61/386302661.db2.gz OCPACXBACDUGQY-UHFFFAOYSA-N 1 2 235.287 1.087 20 0 BDADLO C[N@H+](CCCO)Cc1cc(C(C)(C)C)on1 ZINC000289435211 386303804 /nfs/dbraw/zinc/30/38/04/386303804.db2.gz SNJAXVNLQBNBCU-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO C[N@@H+](CCCO)Cc1cc(C(C)(C)C)on1 ZINC000289435211 386303810 /nfs/dbraw/zinc/30/38/10/386303810.db2.gz SNJAXVNLQBNBCU-UHFFFAOYSA-N 1 2 226.320 1.786 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000335265802 386303880 /nfs/dbraw/zinc/30/38/80/386303880.db2.gz NFYBLEVCBAUOKZ-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)nc1 ZINC000335265802 386303884 /nfs/dbraw/zinc/30/38/84/386303884.db2.gz NFYBLEVCBAUOKZ-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cccn2C)nn1 ZINC000414402332 386307093 /nfs/dbraw/zinc/30/70/93/386307093.db2.gz YAQFXBKFAUULRT-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cccn2C)nn1 ZINC000414402332 386307099 /nfs/dbraw/zinc/30/70/99/386307099.db2.gz YAQFXBKFAUULRT-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289466000 386310625 /nfs/dbraw/zinc/31/06/25/386310625.db2.gz YRIOTZHYJBFQJR-NSHDSACASA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289466000 386310633 /nfs/dbraw/zinc/31/06/33/386310633.db2.gz YRIOTZHYJBFQJR-NSHDSACASA-N 1 2 246.310 1.732 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(F)ccc1OC ZINC000276395212 386315009 /nfs/dbraw/zinc/31/50/09/386315009.db2.gz JJTQLDGRESIAGE-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(F)ccc1OC ZINC000276395212 386315011 /nfs/dbraw/zinc/31/50/11/386315011.db2.gz JJTQLDGRESIAGE-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnns2)CC[C@H]1C ZINC000336675023 386320502 /nfs/dbraw/zinc/32/05/02/386320502.db2.gz HFRRVCJUYHEWCH-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnns2)CC[C@H]1C ZINC000336675023 386320507 /nfs/dbraw/zinc/32/05/07/386320507.db2.gz HFRRVCJUYHEWCH-SCZZXKLOSA-N 1 2 227.333 1.395 20 0 BDADLO Cc1ccncc1C[NH+]1CC(n2ccnn2)C1 ZINC000366277795 386262333 /nfs/dbraw/zinc/26/23/33/386262333.db2.gz HRMSIPFPILFFTO-UHFFFAOYSA-N 1 2 229.287 1.038 20 0 BDADLO Cc1ccnc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000336653365 386268370 /nfs/dbraw/zinc/26/83/70/386268370.db2.gz YGGAKNOSTUDYTB-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ccnc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000336653365 386268373 /nfs/dbraw/zinc/26/83/73/386268373.db2.gz YGGAKNOSTUDYTB-JTQLQIEISA-N 1 2 207.277 1.006 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000339163689 386269847 /nfs/dbraw/zinc/26/98/47/386269847.db2.gz FBLCFMPMRYKWNA-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1[nH]c(C(=O)NCCCOCC(C)C)c[nH+]1 ZINC000264795750 386271623 /nfs/dbraw/zinc/27/16/23/386271623.db2.gz YEJZIVRYAABGTL-UHFFFAOYSA-N 1 2 239.319 1.511 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCOC(C)C)[nH]1 ZINC000336676314 386324028 /nfs/dbraw/zinc/32/40/28/386324028.db2.gz NAPALMUKKIEQHO-UHFFFAOYSA-N 1 2 226.324 1.360 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCOC(C)C)[nH]1 ZINC000336676314 386324033 /nfs/dbraw/zinc/32/40/33/386324033.db2.gz NAPALMUKKIEQHO-UHFFFAOYSA-N 1 2 226.324 1.360 20 0 BDADLO CC[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339177008 386277230 /nfs/dbraw/zinc/27/72/30/386277230.db2.gz XWIJIGQWIXNFCY-SNVBAGLBSA-N 1 2 223.320 1.610 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000416322111 386278176 /nfs/dbraw/zinc/27/81/76/386278176.db2.gz MGJREEAEEQYSGC-IJLUTSLNSA-N 1 2 249.358 1.856 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cn1 ZINC000334484322 386324102 /nfs/dbraw/zinc/32/41/02/386324102.db2.gz ZQKVUHFFVMXWNE-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cn1 ZINC000334484322 386324107 /nfs/dbraw/zinc/32/41/07/386324107.db2.gz ZQKVUHFFVMXWNE-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CC[N@H+](CCOC)Cc1csc(COC)n1 ZINC000336661455 386279960 /nfs/dbraw/zinc/27/99/60/386279960.db2.gz BROZZBQRDMWWCJ-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO CC[N@@H+](CCOC)Cc1csc(COC)n1 ZINC000336661455 386279963 /nfs/dbraw/zinc/27/99/63/386279963.db2.gz BROZZBQRDMWWCJ-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO CO[C@H]1C[NH+](Cc2nc(C)cs2)C[C@@H]1OC ZINC000336661879 386280040 /nfs/dbraw/zinc/28/00/40/386280040.db2.gz AUEDGVZVWIIYAC-UWVGGRQHSA-N 1 2 242.344 1.297 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1CCCC1 ZINC000298422675 386340632 /nfs/dbraw/zinc/34/06/32/386340632.db2.gz HXLDLRZEBKWBGT-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO Nc1ccc(CNc2ccnc(C3CC3)n2)c[nH+]1 ZINC000276593436 386350112 /nfs/dbraw/zinc/35/01/12/386350112.db2.gz QIVASJYDMBEWMQ-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO CSCCCNC(=O)CCn1cc[nH+]c1 ZINC000265588294 386350352 /nfs/dbraw/zinc/35/03/52/386350352.db2.gz WZSWOMPGXOQRNX-UHFFFAOYSA-N 1 2 227.333 1.143 20 0 BDADLO C[N@H+](CC(F)F)C[C@H](O)Cc1ccccc1 ZINC000336688562 386351568 /nfs/dbraw/zinc/35/15/68/386351568.db2.gz YMVFIYZSIRZBDN-LLVKDONJSA-N 1 2 229.270 1.787 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H](O)Cc1ccccc1 ZINC000336688562 386351570 /nfs/dbraw/zinc/35/15/70/386351570.db2.gz YMVFIYZSIRZBDN-LLVKDONJSA-N 1 2 229.270 1.787 20 0 BDADLO Cc1nc(CN2CCc3[nH+]c[nH]c3C2)cs1 ZINC000647933306 386351900 /nfs/dbraw/zinc/35/19/00/386351900.db2.gz JRMQNYRBXDBJCR-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000276613835 386354264 /nfs/dbraw/zinc/35/42/64/386354264.db2.gz PWEJHXRAFQNNSC-ZZXKWVIFSA-N 1 2 219.288 1.822 20 0 BDADLO CC(C)[C@@H](NC(=O)c1ccn[nH]1)c1[nH]cc[nH+]1 ZINC000276623046 386355073 /nfs/dbraw/zinc/35/50/73/386355073.db2.gz OIWCMDASIFZPAZ-SECBINFHSA-N 1 2 233.275 1.260 20 0 BDADLO Cc1ccncc1CNc1ccc(CO)c[nH+]1 ZINC000356338817 386355192 /nfs/dbraw/zinc/35/51/92/386355192.db2.gz NLWMOJXWWCKLGK-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO CN(CC1CC1)C(=O)CCc1c[nH+]cn1C ZINC000276632201 386357773 /nfs/dbraw/zinc/35/77/73/386357773.db2.gz SVJOYAZGVWHVLL-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000276649960 386360442 /nfs/dbraw/zinc/36/04/42/386360442.db2.gz RVFBSURGUMPLNO-VHSXEESVSA-N 1 2 237.303 1.260 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1ncnn1C ZINC000276703208 386365819 /nfs/dbraw/zinc/36/58/19/386365819.db2.gz NYZXPBICORPAFR-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](C)c2ncnn2C)o1 ZINC000276719477 386367518 /nfs/dbraw/zinc/36/75/18/386367518.db2.gz POMKSYYDPPSSFK-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO Cc1cncc(C[N@@H+]2CCn3cnnc3[C@@H]2C)c1 ZINC000276718939 386368848 /nfs/dbraw/zinc/36/88/48/386368848.db2.gz AKDBJZMDFPXWBH-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cncc(C[N@H+]2CCn3cnnc3[C@@H]2C)c1 ZINC000276718939 386368852 /nfs/dbraw/zinc/36/88/52/386368852.db2.gz AKDBJZMDFPXWBH-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000289920258 386370347 /nfs/dbraw/zinc/37/03/47/386370347.db2.gz ONBCRLYUNJIELF-LBPRGKRZSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000289920258 386370350 /nfs/dbraw/zinc/37/03/50/386370350.db2.gz ONBCRLYUNJIELF-LBPRGKRZSA-N 1 2 231.303 1.362 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H](O)COC(C)(C)C ZINC000265778334 386371268 /nfs/dbraw/zinc/37/12/68/386371268.db2.gz DUMSHPMIKLNSBA-NSHDSACASA-N 1 2 242.319 1.282 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H](O)COC(C)(C)C ZINC000265778334 386371274 /nfs/dbraw/zinc/37/12/74/386371274.db2.gz DUMSHPMIKLNSBA-NSHDSACASA-N 1 2 242.319 1.282 20 0 BDADLO Cn1cc[nH+]c1CNc1cc(C2CC2)n(C)n1 ZINC000289903779 386371917 /nfs/dbraw/zinc/37/19/17/386371917.db2.gz REYSRNBVXODXIN-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](COC)C2)no1 ZINC000336695159 386375166 /nfs/dbraw/zinc/37/51/66/386375166.db2.gz JHJHMTJALDYOKQ-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](COC)C2)no1 ZINC000336695159 386375167 /nfs/dbraw/zinc/37/51/67/386375167.db2.gz JHJHMTJALDYOKQ-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000310231150 386378326 /nfs/dbraw/zinc/37/83/26/386378326.db2.gz JQHYECHNVMCNHC-MBTKJCJQSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@H]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000310231150 386378335 /nfs/dbraw/zinc/37/83/35/386378335.db2.gz JQHYECHNVMCNHC-MBTKJCJQSA-N 1 2 235.335 1.999 20 0 BDADLO CC[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)OC ZINC000336697764 386380364 /nfs/dbraw/zinc/38/03/64/386380364.db2.gz QDAMAUJWPZZFOW-YWVKMMECSA-N 1 2 215.293 1.095 20 0 BDADLO C[N@H+](Cc1ccon1)[C@H](CO)c1ccccc1 ZINC000265910498 386383315 /nfs/dbraw/zinc/38/33/15/386383315.db2.gz KGXBHDUVWVOFMP-CYBMUJFWSA-N 1 2 232.283 1.840 20 0 BDADLO C[N@@H+](Cc1ccon1)[C@H](CO)c1ccccc1 ZINC000265910498 386383319 /nfs/dbraw/zinc/38/33/19/386383319.db2.gz KGXBHDUVWVOFMP-CYBMUJFWSA-N 1 2 232.283 1.840 20 0 BDADLO C[C@H](C[N@@H+]1CC[C@@](C)(F)C1)CS(C)(=O)=O ZINC000347396878 386384961 /nfs/dbraw/zinc/38/49/61/386384961.db2.gz VEFYMSWCIUNFHB-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@H](C[N@H+]1CC[C@@](C)(F)C1)CS(C)(=O)=O ZINC000347396878 386384964 /nfs/dbraw/zinc/38/49/64/386384964.db2.gz VEFYMSWCIUNFHB-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000276467423 386328771 /nfs/dbraw/zinc/32/87/71/386328771.db2.gz PRTWBURKRJUQTD-ZDUSSCGKSA-N 1 2 245.326 1.445 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000276467423 386328774 /nfs/dbraw/zinc/32/87/74/386328774.db2.gz PRTWBURKRJUQTD-ZDUSSCGKSA-N 1 2 245.326 1.445 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)C ZINC000276492544 386332824 /nfs/dbraw/zinc/33/28/24/386332824.db2.gz GUDIHBAONXYKLD-UHFFFAOYSA-N 1 2 209.293 1.267 20 0 BDADLO CN(Cc1cnccn1)c1cc[nH+]c(C2CC2)n1 ZINC000265380369 386334010 /nfs/dbraw/zinc/33/40/10/386334010.db2.gz CGEXXGQROOSNRU-UHFFFAOYSA-N 1 2 241.298 1.780 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000276520691 386337422 /nfs/dbraw/zinc/33/74/22/386337422.db2.gz CPMKNRCYCKZWKT-VXGBXAGGSA-N 1 2 247.342 1.611 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000289664490 386339029 /nfs/dbraw/zinc/33/90/29/386339029.db2.gz DAGMNUVAXDZTNN-LBPRGKRZSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000289664490 386339036 /nfs/dbraw/zinc/33/90/36/386339036.db2.gz DAGMNUVAXDZTNN-LBPRGKRZSA-N 1 2 241.310 1.025 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000336712622 386437808 /nfs/dbraw/zinc/43/78/08/386437808.db2.gz OBDAYFWZHPKPRB-IUCAKERBSA-N 1 2 243.307 1.244 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000336712622 386437813 /nfs/dbraw/zinc/43/78/13/386437813.db2.gz OBDAYFWZHPKPRB-IUCAKERBSA-N 1 2 243.307 1.244 20 0 BDADLO Cc1ccnc(C[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000336777918 386440197 /nfs/dbraw/zinc/44/01/97/386440197.db2.gz JVXGXZADXABMCO-SECBINFHSA-N 1 2 217.276 1.359 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000336716581 386443785 /nfs/dbraw/zinc/44/37/85/386443785.db2.gz VVCSEOWWDLLHOT-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000336716581 386443788 /nfs/dbraw/zinc/44/37/88/386443788.db2.gz VVCSEOWWDLLHOT-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccccc2)nc(N)[nH+]1 ZINC000202279782 386452762 /nfs/dbraw/zinc/45/27/62/386452762.db2.gz YNOMLXYCIHJJQD-QMMMGPOBSA-N 1 2 229.287 1.935 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)c2ccccc2)[nH+]1 ZINC000202279782 386452769 /nfs/dbraw/zinc/45/27/69/386452769.db2.gz YNOMLXYCIHJJQD-QMMMGPOBSA-N 1 2 229.287 1.935 20 0 BDADLO CCOC[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000336775488 386388581 /nfs/dbraw/zinc/38/85/81/386388581.db2.gz ZFFAMLGDEUBWJW-SNVBAGLBSA-N 1 2 223.320 1.859 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccn2C)nn1C ZINC000336705578 386395826 /nfs/dbraw/zinc/39/58/26/386395826.db2.gz NRHMEIQVDQJWGM-UHFFFAOYSA-N 1 2 232.331 1.699 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccn2C)nn1C ZINC000336705578 386395828 /nfs/dbraw/zinc/39/58/28/386395828.db2.gz NRHMEIQVDQJWGM-UHFFFAOYSA-N 1 2 232.331 1.699 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000336705404 386395933 /nfs/dbraw/zinc/39/59/33/386395933.db2.gz QFQDDHHQWWWQJC-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000336705404 386395936 /nfs/dbraw/zinc/39/59/36/386395936.db2.gz QFQDDHHQWWWQJC-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nc(N(C)Cc2ccccn2)cc[nH+]1 ZINC000266097544 386397825 /nfs/dbraw/zinc/39/78/25/386397825.db2.gz GSLSYDIWRTXEPS-UHFFFAOYSA-N 1 2 214.272 1.816 20 0 BDADLO CO[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266104901 386398652 /nfs/dbraw/zinc/39/86/52/386398652.db2.gz OKRNCLUEZFSDIB-QMMMGPOBSA-N 1 2 219.244 1.308 20 0 BDADLO C[C@@H]1C[C@H]1CNc1[nH+]cnc(-n2cccn2)c1N ZINC000277047354 386402747 /nfs/dbraw/zinc/40/27/47/386402747.db2.gz GNVOWRMAJIASSO-BDAKNGLRSA-N 1 2 244.302 1.312 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000336702760 386406288 /nfs/dbraw/zinc/40/62/88/386406288.db2.gz NZONYNMZSLEHSL-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000336702760 386406293 /nfs/dbraw/zinc/40/62/93/386406293.db2.gz NZONYNMZSLEHSL-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CC1(C)C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000232796901 386408068 /nfs/dbraw/zinc/40/80/68/386408068.db2.gz AKARSGCJLWTFGR-YFKPBYRVSA-N 1 2 212.684 1.923 20 0 BDADLO CC1(C)C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000232796901 386408076 /nfs/dbraw/zinc/40/80/76/386408076.db2.gz AKARSGCJLWTFGR-YFKPBYRVSA-N 1 2 212.684 1.923 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H]1C(F)F ZINC000647991779 386420462 /nfs/dbraw/zinc/42/04/62/386420462.db2.gz KFGQYKKAPJVMJD-VIFPVBQESA-N 1 2 241.241 1.683 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)nn1 ZINC000414429669 386422855 /nfs/dbraw/zinc/42/28/55/386422855.db2.gz CRFAHHRZVSKZHX-RISCZKNCSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)nn1 ZINC000414429669 386422862 /nfs/dbraw/zinc/42/28/62/386422862.db2.gz CRFAHHRZVSKZHX-RISCZKNCSA-N 1 2 247.342 1.784 20 0 BDADLO O=C1NCCCC[C@H]1[N@@H+]1CCC=C(F)C1 ZINC000299185294 386426133 /nfs/dbraw/zinc/42/61/33/386426133.db2.gz AHNSMWLTHNYXIM-SNVBAGLBSA-N 1 2 212.268 1.214 20 0 BDADLO O=C1NCCCC[C@H]1[N@H+]1CCC=C(F)C1 ZINC000299185294 386426137 /nfs/dbraw/zinc/42/61/37/386426137.db2.gz AHNSMWLTHNYXIM-SNVBAGLBSA-N 1 2 212.268 1.214 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000339439911 386433043 /nfs/dbraw/zinc/43/30/43/386433043.db2.gz VJRIENSXEYBURF-ZWNOBZJWSA-N 1 2 235.331 1.815 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1cccnc1 ZINC000266818259 386470973 /nfs/dbraw/zinc/47/09/73/386470973.db2.gz JBTNCDSBBQZHJA-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO C[NH+](C)Cc1nc(Cc2cscn2)no1 ZINC000277879937 386474296 /nfs/dbraw/zinc/47/42/96/386474296.db2.gz KUDOVBIMTXZYAL-UHFFFAOYSA-N 1 2 224.289 1.179 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]CC(=O)OC)C1(CC)CC ZINC000191073559 386474497 /nfs/dbraw/zinc/47/44/97/386474497.db2.gz UKGPKNNFIUNQQM-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000299625016 386474655 /nfs/dbraw/zinc/47/46/55/386474655.db2.gz FNVVSODOIPCVHB-GHMZBOCLSA-N 1 2 223.320 1.824 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339560525 386475285 /nfs/dbraw/zinc/47/52/85/386475285.db2.gz CIMKFYVURWZAIG-XHNCKOQMSA-N 1 2 225.292 1.617 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339560525 386475287 /nfs/dbraw/zinc/47/52/87/386475287.db2.gz CIMKFYVURWZAIG-XHNCKOQMSA-N 1 2 225.292 1.617 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339562694 386475326 /nfs/dbraw/zinc/47/53/26/386475326.db2.gz HNWSYKWZGCMTTD-RKDXNWHRSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1occc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339562694 386475333 /nfs/dbraw/zinc/47/53/33/386475333.db2.gz HNWSYKWZGCMTTD-RKDXNWHRSA-N 1 2 223.272 1.906 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]cc2C)no1 ZINC000266872338 386475725 /nfs/dbraw/zinc/47/57/25/386475725.db2.gz XXPNDJOUINXPDA-UHFFFAOYSA-N 1 2 231.255 1.868 20 0 BDADLO CC(C)(C)OC(=O)C1C[NH+](CC2(F)CC2)C1 ZINC000519526375 386478463 /nfs/dbraw/zinc/47/84/63/386478463.db2.gz YQOSREDGFKXSOR-UHFFFAOYSA-N 1 2 229.295 1.762 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339564542 386478774 /nfs/dbraw/zinc/47/87/74/386478774.db2.gz QJNVPXUGPVHDBZ-BDAKNGLRSA-N 1 2 209.293 1.862 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339564542 386478779 /nfs/dbraw/zinc/47/87/79/386478779.db2.gz QJNVPXUGPVHDBZ-BDAKNGLRSA-N 1 2 209.293 1.862 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339581028 386485150 /nfs/dbraw/zinc/48/51/50/386485150.db2.gz UFHIEWXCVUWPBY-BDAKNGLRSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1ccoc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339581028 386485153 /nfs/dbraw/zinc/48/51/53/386485153.db2.gz UFHIEWXCVUWPBY-BDAKNGLRSA-N 1 2 223.272 1.906 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](SC)C1 ZINC000383196206 386489527 /nfs/dbraw/zinc/48/95/27/386489527.db2.gz MSJNDQLZVXXSFY-ZETCQYMHSA-N 1 2 240.332 1.009 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](SC)C1 ZINC000383196206 386489532 /nfs/dbraw/zinc/48/95/32/386489532.db2.gz MSJNDQLZVXXSFY-ZETCQYMHSA-N 1 2 240.332 1.009 20 0 BDADLO CCC1(O)CC[NH+](Cc2cocn2)CC1 ZINC000278214526 386499488 /nfs/dbraw/zinc/49/94/88/386499488.db2.gz RNBCVMXFPDHRHU-UHFFFAOYSA-N 1 2 210.277 1.412 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000366439486 386504059 /nfs/dbraw/zinc/50/40/59/386504059.db2.gz NTYPKEDIJICAKW-UHFFFAOYSA-N 1 2 247.342 1.356 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCc2ncccc2C1 ZINC000366439486 386504066 /nfs/dbraw/zinc/50/40/66/386504066.db2.gz NTYPKEDIJICAKW-UHFFFAOYSA-N 1 2 247.342 1.356 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)nn1 ZINC000336783931 386508307 /nfs/dbraw/zinc/50/83/07/386508307.db2.gz JUCKEWKIWHVYHF-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)nn1 ZINC000336783931 386508312 /nfs/dbraw/zinc/50/83/12/386508312.db2.gz JUCKEWKIWHVYHF-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO CCc1ncc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000414447949 386508410 /nfs/dbraw/zinc/50/84/10/386508410.db2.gz QKNAPPVTDCYPAO-UHFFFAOYSA-N 1 2 244.298 1.538 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1cncc(F)c1 ZINC000335444620 386510313 /nfs/dbraw/zinc/51/03/13/386510313.db2.gz ZEKNMYZAZIAPGI-LLVKDONJSA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1cncc(F)c1 ZINC000335444620 386510321 /nfs/dbraw/zinc/51/03/21/386510321.db2.gz ZEKNMYZAZIAPGI-LLVKDONJSA-N 1 2 242.319 1.130 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H]2C2CCC2)o1 ZINC000335448113 386516885 /nfs/dbraw/zinc/51/68/85/386516885.db2.gz TXKVHIVMRWXRPK-LBPRGKRZSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H]2C2CCC2)o1 ZINC000335448113 386516890 /nfs/dbraw/zinc/51/68/90/386516890.db2.gz TXKVHIVMRWXRPK-LBPRGKRZSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000335449821 386520363 /nfs/dbraw/zinc/52/03/63/386520363.db2.gz QLSYVFGPMZEUGR-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000335449821 386520367 /nfs/dbraw/zinc/52/03/67/386520367.db2.gz QLSYVFGPMZEUGR-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000335449821 386520370 /nfs/dbraw/zinc/52/03/70/386520370.db2.gz QLSYVFGPMZEUGR-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000335449821 386520375 /nfs/dbraw/zinc/52/03/75/386520375.db2.gz QLSYVFGPMZEUGR-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO CCC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000267277283 386522786 /nfs/dbraw/zinc/52/27/86/386522786.db2.gz UTYRGEHMHUUTAB-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1c(Cl)cnn1C ZINC000187314792 386523905 /nfs/dbraw/zinc/52/39/05/386523905.db2.gz FNAXXFIXURPVQG-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000187314792 386523911 /nfs/dbraw/zinc/52/39/11/386523911.db2.gz FNAXXFIXURPVQG-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CC(C)[C@H](C)N(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278471775 386530348 /nfs/dbraw/zinc/53/03/48/386530348.db2.gz UNWYFZKGVGPEDD-QMMMGPOBSA-N 1 2 248.334 1.426 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)o1 ZINC000366468391 386526594 /nfs/dbraw/zinc/52/65/94/386526594.db2.gz SLMYIGDQGNKOSY-GHMZBOCLSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]3OCC[C@H]32)o1 ZINC000366468391 386526600 /nfs/dbraw/zinc/52/66/00/386526600.db2.gz SLMYIGDQGNKOSY-GHMZBOCLSA-N 1 2 222.288 1.736 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](C)[C@@H]2CCCO2)no1 ZINC000183136003 386457358 /nfs/dbraw/zinc/45/73/58/386457358.db2.gz JKHQECISEOIKCL-UWVGGRQHSA-N 1 2 239.319 1.850 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)n2C)CCCO1 ZINC000336725193 386461953 /nfs/dbraw/zinc/46/19/53/386461953.db2.gz PTYWPMQEVSLWPK-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)n2C)CCCO1 ZINC000336725193 386461957 /nfs/dbraw/zinc/46/19/57/386461957.db2.gz PTYWPMQEVSLWPK-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CCO[C@@H](CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000098101215 386577170 /nfs/dbraw/zinc/57/71/70/386577170.db2.gz JDTNREVPVVCUIX-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO COC[C@H](CC(C)C)[NH2+]Cc1cn[nH]c1C ZINC000336756978 386578305 /nfs/dbraw/zinc/57/83/05/386578305.db2.gz HJCRBAPCTNHNEN-LBPRGKRZSA-N 1 2 225.336 1.869 20 0 BDADLO C[C@H]1[C@H]([NH2+]Cc2csnn2)CCCN1C ZINC000336757271 386581360 /nfs/dbraw/zinc/58/13/60/386581360.db2.gz JZGWWQDRPRLLLT-WCBMZHEXSA-N 1 2 226.349 1.110 20 0 BDADLO CC(C(=O)NCc1[nH+]ccn1C)=C1CCCC1 ZINC000267840974 386589424 /nfs/dbraw/zinc/58/94/24/386589424.db2.gz IATDUNSKJPGHQB-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@H](CC[N@H+](CC[NH3+])CCO)c1ccccc1 ZINC000414917227 386532326 /nfs/dbraw/zinc/53/23/26/386532326.db2.gz VGVHJDWDCPYGCQ-CYBMUJFWSA-N 1 2 236.359 1.433 20 0 BDADLO C[C@H](CC[N@@H+](CC[NH3+])CCO)c1ccccc1 ZINC000414917227 386532333 /nfs/dbraw/zinc/53/23/33/386532333.db2.gz VGVHJDWDCPYGCQ-CYBMUJFWSA-N 1 2 236.359 1.433 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)CC(C)C)[C@H](C)O ZINC000336755299 386534276 /nfs/dbraw/zinc/53/42/76/386534276.db2.gz GGSSENYQSKHXOF-OUAUKWLOSA-N 1 2 231.336 1.181 20 0 BDADLO Cc1ccc(NC(=O)c2ncn(C)n2)c(C)[nH+]1 ZINC000291383678 386540498 /nfs/dbraw/zinc/54/04/98/386540498.db2.gz VUYLFDPCNZOCAM-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO O=C(Nc1nncs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278528302 386542835 /nfs/dbraw/zinc/54/28/35/386542835.db2.gz ZDYMUVZTERBUSV-QMMMGPOBSA-N 1 2 238.316 1.103 20 0 BDADLO O=C(Nc1nncs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278528302 386542844 /nfs/dbraw/zinc/54/28/44/386542844.db2.gz ZDYMUVZTERBUSV-QMMMGPOBSA-N 1 2 238.316 1.103 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061919332 386556736 /nfs/dbraw/zinc/55/67/36/386556736.db2.gz FPQWTVWWYHHJMS-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000061919332 386556745 /nfs/dbraw/zinc/55/67/45/386556745.db2.gz FPQWTVWWYHHJMS-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@H]2CCC=CO2)no1 ZINC000278629507 386557421 /nfs/dbraw/zinc/55/74/21/386557421.db2.gz GRBHRXSPWXGEQG-SNVBAGLBSA-N 1 2 237.303 1.895 20 0 BDADLO c1[nH+]cn2c1CN(Cc1ccccn1)CC2 ZINC000291635439 386561625 /nfs/dbraw/zinc/56/16/25/386561625.db2.gz STMDBCUEOGFJIM-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(C)no2)C1 ZINC000267620966 386562193 /nfs/dbraw/zinc/56/21/93/386562193.db2.gz DNTDMGQQTXBBOO-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(C)no2)C1 ZINC000267620966 386562198 /nfs/dbraw/zinc/56/21/98/386562198.db2.gz DNTDMGQQTXBBOO-NSHDSACASA-N 1 2 242.250 1.070 20 0 BDADLO Cn1cc[nH+]c1CN1CCCc2n[nH]cc21 ZINC000291639851 386564417 /nfs/dbraw/zinc/56/44/17/386564417.db2.gz SZIOTPVJUZWEQT-UHFFFAOYSA-N 1 2 217.276 1.096 20 0 BDADLO c1nc(N2CCCC2)cc(NC[C@H]2CCCO2)[nH+]1 ZINC000243544549 386567710 /nfs/dbraw/zinc/56/77/10/386567710.db2.gz OGRSWCWXDMUFFE-LLVKDONJSA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(NC[C@H]2CCCO2)cc(N2CCCC2)[nH+]1 ZINC000243544549 386567712 /nfs/dbraw/zinc/56/77/12/386567712.db2.gz OGRSWCWXDMUFFE-LLVKDONJSA-N 1 2 248.330 1.668 20 0 BDADLO c1ncn2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000291684327 386568030 /nfs/dbraw/zinc/56/80/30/386568030.db2.gz XLMSBUKUHLFYLA-GFCCVEGCSA-N 1 2 219.288 1.391 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC000291684327 386568034 /nfs/dbraw/zinc/56/80/34/386568034.db2.gz XLMSBUKUHLFYLA-GFCCVEGCSA-N 1 2 219.288 1.391 20 0 BDADLO c1[nH+]cn2c1CN(C[C@H]1CCC=CO1)CC2 ZINC000291684327 386568039 /nfs/dbraw/zinc/56/80/39/386568039.db2.gz XLMSBUKUHLFYLA-GFCCVEGCSA-N 1 2 219.288 1.391 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1cc(C)n(C)n1 ZINC000414455627 386572036 /nfs/dbraw/zinc/57/20/36/386572036.db2.gz SKFGYSIUVTVOJC-UHFFFAOYSA-N 1 2 219.288 1.920 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)C[C@H]1CCCCO1 ZINC000268172135 386624941 /nfs/dbraw/zinc/62/49/41/386624941.db2.gz QKQGRZQEKKKIEP-BZNIZROVSA-N 1 2 242.344 1.238 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414466691 386629919 /nfs/dbraw/zinc/62/99/19/386629919.db2.gz BTEWKBFHPDGHTP-NSHDSACASA-N 1 2 225.267 1.154 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414466691 386629928 /nfs/dbraw/zinc/62/99/28/386629928.db2.gz BTEWKBFHPDGHTP-NSHDSACASA-N 1 2 225.267 1.154 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CC=CCC1 ZINC000644959532 386636534 /nfs/dbraw/zinc/63/65/34/386636534.db2.gz UUGOPLKOEMFULJ-UHFFFAOYSA-N 1 2 247.298 1.562 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cncn1CC ZINC000417745633 386637061 /nfs/dbraw/zinc/63/70/61/386637061.db2.gz OJRBFVDQULHKTO-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cncn1CC ZINC000417745633 386637069 /nfs/dbraw/zinc/63/70/69/386637069.db2.gz OJRBFVDQULHKTO-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1CO[C@H](C)CN1Cc1c[nH+]cn1CC ZINC000417745633 386637080 /nfs/dbraw/zinc/63/70/80/386637080.db2.gz OJRBFVDQULHKTO-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)(C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335511416 386645060 /nfs/dbraw/zinc/64/50/60/386645060.db2.gz UJKDKHBEUHXBGC-VIFPVBQESA-N 1 2 236.319 1.296 20 0 BDADLO CCN(CC)C(=O)CN(C)c1cc(C)[nH+]cn1 ZINC000301237266 386652110 /nfs/dbraw/zinc/65/21/10/386652110.db2.gz KVOHVCAJPISUTJ-UHFFFAOYSA-N 1 2 236.319 1.090 20 0 BDADLO CCC1(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279237395 386652866 /nfs/dbraw/zinc/65/28/66/386652866.db2.gz RBMDDGMGWTVCEI-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000520338910 386653903 /nfs/dbraw/zinc/65/39/03/386653903.db2.gz CIMOWXBENGVJFT-AOOOYVTPSA-N 1 2 220.320 1.671 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000520338910 386653908 /nfs/dbraw/zinc/65/39/08/386653908.db2.gz CIMOWXBENGVJFT-AOOOYVTPSA-N 1 2 220.320 1.671 20 0 BDADLO CCCc1nsc(N2CCn3c[nH+]cc3C2)n1 ZINC000292350411 386654282 /nfs/dbraw/zinc/65/42/82/386654282.db2.gz BXCNPNPQHICSPV-UHFFFAOYSA-N 1 2 249.343 1.707 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000335518574 386654309 /nfs/dbraw/zinc/65/43/09/386654309.db2.gz FSUBLSYCBABNRS-ZJUUUORDSA-N 1 2 239.294 1.658 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000335518574 386654312 /nfs/dbraw/zinc/65/43/12/386654312.db2.gz FSUBLSYCBABNRS-ZJUUUORDSA-N 1 2 239.294 1.658 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](CF)C2)s1 ZINC000414473107 386654284 /nfs/dbraw/zinc/65/42/84/386654284.db2.gz URBTYBWXKPDZKT-VIFPVBQESA-N 1 2 244.335 1.876 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](CF)C2)s1 ZINC000414473107 386654289 /nfs/dbraw/zinc/65/42/89/386654289.db2.gz URBTYBWXKPDZKT-VIFPVBQESA-N 1 2 244.335 1.876 20 0 BDADLO CC[C@H]1C[N@H+](Cc2noc(C)n2)CCCO1 ZINC000328632651 386600486 /nfs/dbraw/zinc/60/04/86/386600486.db2.gz AMAPIZFDLMZESF-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2noc(C)n2)CCCO1 ZINC000328632651 386600490 /nfs/dbraw/zinc/60/04/90/386600490.db2.gz AMAPIZFDLMZESF-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC1CC1 ZINC000278887261 386602704 /nfs/dbraw/zinc/60/27/04/386602704.db2.gz OJEOVVDBXXARDL-UHFFFAOYSA-N 1 2 207.277 1.129 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335490178 386607004 /nfs/dbraw/zinc/60/70/04/386607004.db2.gz BSYASEKRZWUMCI-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335489754 386607191 /nfs/dbraw/zinc/60/71/91/386607191.db2.gz VHJDCXMIMLVGHG-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO CO[C@H]1COCC[C@@H]1CNc1cccc[nH+]1 ZINC000450697345 386609267 /nfs/dbraw/zinc/60/92/67/386609267.db2.gz UVEHJVOZHXEJNF-MNOVXSKESA-N 1 2 222.288 1.545 20 0 BDADLO CCC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335492803 386612178 /nfs/dbraw/zinc/61/21/78/386612178.db2.gz SUPCVRXQVGOQTI-LLVKDONJSA-N 1 2 233.315 1.314 20 0 BDADLO FCCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340392696 386655190 /nfs/dbraw/zinc/65/51/90/386655190.db2.gz ZIKBEYPAUXLDJN-LLVKDONJSA-N 1 2 249.293 1.628 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000644924916 386615234 /nfs/dbraw/zinc/61/52/34/386615234.db2.gz VJTGBBXGIMQYJH-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000644924916 386615237 /nfs/dbraw/zinc/61/52/37/386615237.db2.gz VJTGBBXGIMQYJH-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@@H](C)[C@@H](C)O1 ZINC000525872195 386615917 /nfs/dbraw/zinc/61/59/17/386615917.db2.gz MMQOHCDGBGWWSI-OUAUKWLOSA-N 1 2 239.315 1.770 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@@H](C)[C@@H](C)O1 ZINC000525872195 386615926 /nfs/dbraw/zinc/61/59/26/386615926.db2.gz MMQOHCDGBGWWSI-OUAUKWLOSA-N 1 2 239.315 1.770 20 0 BDADLO CCc1cncc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000279017351 386618828 /nfs/dbraw/zinc/61/88/28/386618828.db2.gz UMOSJFHPTBSHJA-UHFFFAOYSA-N 1 2 233.315 1.032 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335521504 386660546 /nfs/dbraw/zinc/66/05/46/386660546.db2.gz ZROKKJOCDRCHCQ-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000335521504 386660550 /nfs/dbraw/zinc/66/05/50/386660550.db2.gz ZROKKJOCDRCHCQ-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CC1(F)F ZINC000335523106 386663419 /nfs/dbraw/zinc/66/34/19/386663419.db2.gz JQLFJRGPTCSNEZ-JTQLQIEISA-N 1 2 226.226 1.796 20 0 BDADLO CCn1cncc1C[N@H+](CC)Cc1cnn(C)c1 ZINC000417755418 386667212 /nfs/dbraw/zinc/66/72/12/386667212.db2.gz LGTJUPUYIKLMIE-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCn1cncc1C[N@@H+](CC)Cc1cnn(C)c1 ZINC000417755418 386667220 /nfs/dbraw/zinc/66/72/20/386667220.db2.gz LGTJUPUYIKLMIE-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1c[nH+]cn1CC ZINC000417755418 386667225 /nfs/dbraw/zinc/66/72/25/386667225.db2.gz LGTJUPUYIKLMIE-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCOC1)C(=O)OCC ZINC000147644022 386667629 /nfs/dbraw/zinc/66/76/29/386667629.db2.gz WYCKLWDHMCACHJ-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000520416488 386670114 /nfs/dbraw/zinc/67/01/14/386670114.db2.gz GGKGUZUOBOLIEM-BDAKNGLRSA-N 1 2 221.304 1.807 20 0 BDADLO C[C@H](O)CN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000292451181 386674397 /nfs/dbraw/zinc/67/43/97/386674397.db2.gz WXLFTCYWCALGFL-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](O)CN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000292451181 386674402 /nfs/dbraw/zinc/67/44/02/386674402.db2.gz WXLFTCYWCALGFL-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279381852 386674914 /nfs/dbraw/zinc/67/49/14/386674914.db2.gz HYIDICZHLVZOEY-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO Cc1ccoc1CN(C)Cc1[nH]cc[nH+]1 ZINC000292455474 386675309 /nfs/dbraw/zinc/67/53/09/386675309.db2.gz YITXRBNHHGKGGZ-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cn1cncc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000648058658 386678802 /nfs/dbraw/zinc/67/88/02/386678802.db2.gz XCNCMKIKTRIJAB-UHFFFAOYSA-N 1 2 229.274 1.897 20 0 BDADLO Cn1c[nH+]cc1CN1CC(C)(CC(F)F)C1 ZINC000648058658 386678808 /nfs/dbraw/zinc/67/88/08/386678808.db2.gz XCNCMKIKTRIJAB-UHFFFAOYSA-N 1 2 229.274 1.897 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000337187734 386658226 /nfs/dbraw/zinc/65/82/26/386658226.db2.gz QFUUBXLHSALLMG-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000337187734 386658232 /nfs/dbraw/zinc/65/82/32/386658232.db2.gz QFUUBXLHSALLMG-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](CC1CC1)C(=O)OC ZINC000414488225 386709398 /nfs/dbraw/zinc/70/93/98/386709398.db2.gz LNUJIWXKLAQRRP-GXSJLCMTSA-N 1 2 229.320 1.343 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000050075148 386683322 /nfs/dbraw/zinc/68/33/22/386683322.db2.gz XFWHNPPPMQEBIE-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000050075148 386683333 /nfs/dbraw/zinc/68/33/33/386683333.db2.gz XFWHNPPPMQEBIE-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@H](NC(=O)[C@H]1[C@@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000442803986 386690579 /nfs/dbraw/zinc/69/05/79/386690579.db2.gz VEDPWLIRKKOFQJ-GJMOJQLCSA-N 1 2 243.257 1.878 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CCc1c[nH]nn1 ZINC000647956549 386693192 /nfs/dbraw/zinc/69/31/92/386693192.db2.gz YZIQSQKADXGXHL-JTQLQIEISA-N 1 2 231.303 1.226 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CCc1c[nH]nn1 ZINC000647956549 386693195 /nfs/dbraw/zinc/69/31/95/386693195.db2.gz YZIQSQKADXGXHL-JTQLQIEISA-N 1 2 231.303 1.226 20 0 BDADLO CCc1noc(C)c1CNc1cc(CC)[nH+]cn1 ZINC000645045641 386695904 /nfs/dbraw/zinc/69/59/04/386695904.db2.gz OKPJBEWMHQVRNQ-UHFFFAOYSA-N 1 2 246.314 1.932 20 0 BDADLO Cc1cccc(C[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000391942074 386700893 /nfs/dbraw/zinc/70/08/93/386700893.db2.gz RTDUHZUBPRXPTQ-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO COC(=O)c1cn(Cc2c[nH+]ccc2C)c(C)n1 ZINC000357065751 386707954 /nfs/dbraw/zinc/70/79/54/386707954.db2.gz KNRXNHCZJRZDMM-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)C(C)(F)F ZINC000292823779 386733346 /nfs/dbraw/zinc/73/33/46/386733346.db2.gz YGDSMLNACHSYIO-VIFPVBQESA-N 1 2 245.273 1.681 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000527032142 386735000 /nfs/dbraw/zinc/73/50/00/386735000.db2.gz MIEUPYRIRZUSDA-MNOVXSKESA-N 1 2 235.331 1.515 20 0 BDADLO CSc1cc(CNc2cc(C)[nH+]cn2)ccn1 ZINC000357207147 386739860 /nfs/dbraw/zinc/73/98/60/386739860.db2.gz BRRBWJZGSIUOLH-UHFFFAOYSA-N 1 2 246.339 1.936 20 0 BDADLO OCC1CN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000335484775 386715034 /nfs/dbraw/zinc/71/50/34/386715034.db2.gz UWTUJRCNOKFOPP-UHFFFAOYSA-N 1 2 232.258 1.802 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC000340694784 386718405 /nfs/dbraw/zinc/71/84/05/386718405.db2.gz XIQKGEGJSOGIIS-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000340694784 386718409 /nfs/dbraw/zinc/71/84/09/386718409.db2.gz XIQKGEGJSOGIIS-NSHDSACASA-N 1 2 249.314 1.170 20 0 BDADLO C[C@@H]1C[NH+](CC2(F)CC2)C[C@@H](C)S1=O ZINC000526988139 386724723 /nfs/dbraw/zinc/72/47/23/386724723.db2.gz ORZTVTKQMNXQOB-RKDXNWHRSA-N 1 2 219.325 1.330 20 0 BDADLO Cc1ccnc(C[NH+]2CCC(CC(N)=O)CC2)n1 ZINC000330468702 386726117 /nfs/dbraw/zinc/72/61/17/386726117.db2.gz UOLKPQYZEZXKEW-UHFFFAOYSA-N 1 2 248.330 1.922 20 0 BDADLO CC(=O)c1cc(CN2CC[NH+](C3CC3)CC2)on1 ZINC000647960895 386730153 /nfs/dbraw/zinc/73/01/53/386730153.db2.gz QTJARZFAVBWGPD-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO CC(C)c1noc(N(C)CCCn2cc[nH+]c2)n1 ZINC000268980884 386730345 /nfs/dbraw/zinc/73/03/45/386730345.db2.gz RIAYXHBRXXMXOK-UHFFFAOYSA-N 1 2 249.318 1.916 20 0 BDADLO Cc1ccc2[nH+]c(CNc3cccnn3)cn2c1 ZINC000340700808 386746624 /nfs/dbraw/zinc/74/66/24/386746624.db2.gz MCULCNXQNCJBTC-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO c1nc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c[nH]1 ZINC000334153003 386752625 /nfs/dbraw/zinc/75/26/25/386752625.db2.gz NEIMBGPUCMRMPN-STQMWFEESA-N 1 2 247.342 1.943 20 0 BDADLO c1nc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c[nH]1 ZINC000334153003 386752631 /nfs/dbraw/zinc/75/26/31/386752631.db2.gz NEIMBGPUCMRMPN-STQMWFEESA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)[nH]1 ZINC000334153003 386752635 /nfs/dbraw/zinc/75/26/35/386752635.db2.gz NEIMBGPUCMRMPN-STQMWFEESA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)[nH]1 ZINC000334153003 386752642 /nfs/dbraw/zinc/75/26/42/386752642.db2.gz NEIMBGPUCMRMPN-STQMWFEESA-N 1 2 247.342 1.943 20 0 BDADLO CCc1nc(N2CC[C@@H]2COC)cc(C)[nH+]1 ZINC000292952380 386753494 /nfs/dbraw/zinc/75/34/94/386753494.db2.gz FWZWIPNDTXOZDF-SNVBAGLBSA-N 1 2 221.304 1.573 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000334156007 386754859 /nfs/dbraw/zinc/75/48/59/386754859.db2.gz XEXRAFCFPGGLTB-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000334156007 386754867 /nfs/dbraw/zinc/75/48/67/386754867.db2.gz XEXRAFCFPGGLTB-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@H]2CCOC2)s1 ZINC000643400947 386756584 /nfs/dbraw/zinc/75/65/84/386756584.db2.gz DZJIXVIDZAVVMN-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@H]2CCOC2)s1 ZINC000643400947 386756592 /nfs/dbraw/zinc/75/65/92/386756592.db2.gz DZJIXVIDZAVVMN-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCCC[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000340763255 386769998 /nfs/dbraw/zinc/76/99/98/386769998.db2.gz HLZAEHSCYPSWMV-UHFFFAOYSA-N 1 2 210.281 1.275 20 0 BDADLO CCCC[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000340763255 386770002 /nfs/dbraw/zinc/77/00/02/386770002.db2.gz HLZAEHSCYPSWMV-UHFFFAOYSA-N 1 2 210.281 1.275 20 0 BDADLO COC[C@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000293035970 386767116 /nfs/dbraw/zinc/76/71/16/386767116.db2.gz LKDHOVSFRFLRGZ-SNVBAGLBSA-N 1 2 219.288 1.579 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@H](C)c2cn[nH]c2)[nH]1 ZINC000293034749 386767816 /nfs/dbraw/zinc/76/78/16/386767816.db2.gz DMNPDDMJTDWCHG-MRVPVSSYSA-N 1 2 234.307 1.502 20 0 BDADLO Nc1[nH+]cnc(NC2(CO)CCC2)c1Cl ZINC000192342421 386768235 /nfs/dbraw/zinc/76/82/35/386768235.db2.gz KUCSBEHGMHKLKW-UHFFFAOYSA-N 1 2 228.683 1.039 20 0 BDADLO Nc1nc[nH+]c(NC2(CO)CCC2)c1Cl ZINC000192342421 386768241 /nfs/dbraw/zinc/76/82/41/386768241.db2.gz KUCSBEHGMHKLKW-UHFFFAOYSA-N 1 2 228.683 1.039 20 0 BDADLO COC[C@H]([NH2+]Cc1nnc(C)[nH]1)c1ccccc1 ZINC000293223068 386768621 /nfs/dbraw/zinc/76/86/21/386768621.db2.gz PYNHTNBIGNRFJZ-LBPRGKRZSA-N 1 2 246.314 1.590 20 0 BDADLO Cc1nc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000293026867 386769077 /nfs/dbraw/zinc/76/90/77/386769077.db2.gz NFJJBQZMVLLDLK-QMMMGPOBSA-N 1 2 248.286 1.306 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccncc2Cl)nn1 ZINC000389821252 386741468 /nfs/dbraw/zinc/74/14/68/386741468.db2.gz FFPITVVBDFVYSN-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]cc2C)n(C)n1 ZINC000335539067 386744398 /nfs/dbraw/zinc/74/43/98/386744398.db2.gz ODUVMPQMMXNODE-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2cccnc2C)[N@H+](C)C1 ZINC000330566586 386791051 /nfs/dbraw/zinc/79/10/51/386791051.db2.gz LGMIUFQYIOEIJZ-JQWIXIFHSA-N 1 2 249.314 1.048 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2cccnc2C)[N@@H+](C)C1 ZINC000330566586 386791057 /nfs/dbraw/zinc/79/10/57/386791057.db2.gz LGMIUFQYIOEIJZ-JQWIXIFHSA-N 1 2 249.314 1.048 20 0 BDADLO CO[C@H]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000293276492 386796953 /nfs/dbraw/zinc/79/69/53/386796953.db2.gz COCDXOXZHCGCHC-ZJUUUORDSA-N 1 2 237.303 1.231 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CCOCC1CC1 ZINC000340876815 386795105 /nfs/dbraw/zinc/79/51/05/386795105.db2.gz IKALSSIKEPJKNV-UHFFFAOYSA-N 1 2 248.326 1.821 20 0 BDADLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCNC1=O ZINC000269273151 386771687 /nfs/dbraw/zinc/77/16/87/386771687.db2.gz KJBRJLNIZVANRH-MRVPVSSYSA-N 1 2 244.747 1.722 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCNC1=O ZINC000269273151 386771692 /nfs/dbraw/zinc/77/16/92/386771692.db2.gz KJBRJLNIZVANRH-MRVPVSSYSA-N 1 2 244.747 1.722 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC2(C1)CCCOC2 ZINC000334636998 386771966 /nfs/dbraw/zinc/77/19/66/386771966.db2.gz IFZBORGKJGEMIL-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO CC(C)n1cc(C[NH+]2CCOCC2)cn1 ZINC000269367453 386785364 /nfs/dbraw/zinc/78/53/64/386785364.db2.gz LCYPSNRWQLAORG-UHFFFAOYSA-N 1 2 209.293 1.296 20 0 BDADLO Cn1c(Cn2cc[nH+]c2)nc2ccccc2c1=O ZINC000340839708 386786626 /nfs/dbraw/zinc/78/66/26/386786626.db2.gz ZFJUMISRQQTMAW-UHFFFAOYSA-N 1 2 240.266 1.178 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCOCC1CC1 ZINC000340861136 386789181 /nfs/dbraw/zinc/78/91/81/386789181.db2.gz BWFHWZFWVRHGMZ-UHFFFAOYSA-N 1 2 234.299 1.567 20 0 BDADLO COC[C@H](NCc1[nH+]cc(C)n1C)c1ccco1 ZINC000341018343 386821451 /nfs/dbraw/zinc/82/14/51/386821451.db2.gz UDMCAGIGVOEBPF-NSHDSACASA-N 1 2 249.314 1.799 20 0 BDADLO Cc1cc(NC[C@@H]2COc3ccccc32)nc[nH+]1 ZINC000341072703 386821513 /nfs/dbraw/zinc/82/15/13/386821513.db2.gz RAUVHKBCVMXWJQ-LLVKDONJSA-N 1 2 241.294 1.795 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CC[C@@H](C)O)[C@H](C)CC ZINC000411484514 386821926 /nfs/dbraw/zinc/82/19/26/386821926.db2.gz YMKAZXKZEPERCP-GMTAPVOTSA-N 1 2 231.336 1.325 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000336761659 386797345 /nfs/dbraw/zinc/79/73/45/386797345.db2.gz MXUNJDNKJXDFJR-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340893697 386798434 /nfs/dbraw/zinc/79/84/34/386798434.db2.gz HRGIGEZMCAXNFX-SECBINFHSA-N 1 2 244.298 1.457 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340893697 386798437 /nfs/dbraw/zinc/79/84/37/386798437.db2.gz HRGIGEZMCAXNFX-SECBINFHSA-N 1 2 244.298 1.457 20 0 BDADLO C/C=C\C[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000336669593 386801034 /nfs/dbraw/zinc/80/10/34/386801034.db2.gz MUOJLMATGFJNKL-SKRYNEFJSA-N 1 2 242.710 1.451 20 0 BDADLO C/C=C\C[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000336669593 386801041 /nfs/dbraw/zinc/80/10/41/386801041.db2.gz MUOJLMATGFJNKL-SKRYNEFJSA-N 1 2 242.710 1.451 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344864920 386807354 /nfs/dbraw/zinc/80/73/54/386807354.db2.gz LUDTZRCAMFDDDV-RYUDHWBXSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000344864920 386807356 /nfs/dbraw/zinc/80/73/56/386807356.db2.gz LUDTZRCAMFDDDV-RYUDHWBXSA-N 1 2 241.310 1.369 20 0 BDADLO Cc1nc(N(C)C[C@H](O)C(F)(F)F)cc[nH+]1 ZINC000340915243 386810919 /nfs/dbraw/zinc/81/09/19/386810919.db2.gz LZNIAGNDEAISHD-ZETCQYMHSA-N 1 2 235.209 1.144 20 0 BDADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1cccs1 ZINC000336671343 386811715 /nfs/dbraw/zinc/81/17/15/386811715.db2.gz AKECJAMYGVNJHH-ZETCQYMHSA-N 1 2 238.316 1.813 20 0 BDADLO O=C(C[N@@H+]1CCc2sccc2C1)NCCF ZINC000366719579 386813589 /nfs/dbraw/zinc/81/35/89/386813589.db2.gz FHXWHBPAPPXFED-UHFFFAOYSA-N 1 2 242.319 1.192 20 0 BDADLO O=C(C[N@H+]1CCc2sccc2C1)NCCF ZINC000366719579 386813599 /nfs/dbraw/zinc/81/35/99/386813599.db2.gz FHXWHBPAPPXFED-UHFFFAOYSA-N 1 2 242.319 1.192 20 0 BDADLO CCC[C@]1(CO)CCN(c2cc(C)[nH+]cn2)C1 ZINC000341048966 386827838 /nfs/dbraw/zinc/82/78/38/386827838.db2.gz NLJBSTZBSUVLAY-ZDUSSCGKSA-N 1 2 235.331 1.774 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cncc(F)c1 ZINC000293531672 386832263 /nfs/dbraw/zinc/83/22/63/386832263.db2.gz JLMJHLYDTUDHFH-LLVKDONJSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cncc(F)c1 ZINC000293531672 386832271 /nfs/dbraw/zinc/83/22/71/386832271.db2.gz JLMJHLYDTUDHFH-LLVKDONJSA-N 1 2 210.252 1.441 20 0 BDADLO Cc1cc(N(C)Cc2cccnc2)nc[nH+]1 ZINC000301284011 386832361 /nfs/dbraw/zinc/83/23/61/386832361.db2.gz YOAJPSPAJPGHFI-UHFFFAOYSA-N 1 2 214.272 1.816 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]1SC ZINC000425333278 386848290 /nfs/dbraw/zinc/84/82/90/386848290.db2.gz DXZSGPLQTMIIPS-RNJXMRFFSA-N 1 2 203.307 1.032 20 0 BDADLO CC(C)Cn1cc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000341170440 386849900 /nfs/dbraw/zinc/84/99/00/386849900.db2.gz CEKUYODSQYIOQY-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1cc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000341170440 386849903 /nfs/dbraw/zinc/84/99/03/386849903.db2.gz CEKUYODSQYIOQY-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO C[C@H](CSc1n[n-]c(=[NH2+])n1C1CC1)[NH+](C)C ZINC000331749490 386892312 /nfs/dbraw/zinc/89/23/12/386892312.db2.gz FRZPBMKBPUEDFK-SSDOTTSWSA-N 1 2 241.364 1.068 20 0 BDADLO O=C(CCc1cncs1)NCc1c[nH+]c[nH]1 ZINC000645525044 386893761 /nfs/dbraw/zinc/89/37/61/386893761.db2.gz JKFYJROATPGARC-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO O=C(CCc1cncs1)NCc1c[nH]c[nH+]1 ZINC000645525044 386893766 /nfs/dbraw/zinc/89/37/66/386893766.db2.gz JKFYJROATPGARC-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO COC[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301544175 386854598 /nfs/dbraw/zinc/85/45/98/386854598.db2.gz OTFYIHNJYNQWDT-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ncn(C)n1 ZINC000425344431 386855395 /nfs/dbraw/zinc/85/53/95/386855395.db2.gz TUVVLYQKKMJYGB-XHNCKOQMSA-N 1 2 226.349 1.360 20 0 BDADLO C[C@@H](O)CCN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301578236 386855846 /nfs/dbraw/zinc/85/58/46/386855846.db2.gz MZRVLAMTOTXJTD-SNVBAGLBSA-N 1 2 237.347 1.981 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ncn(C)n1 ZINC000425344430 386856242 /nfs/dbraw/zinc/85/62/42/386856242.db2.gz TUVVLYQKKMJYGB-IWSPIJDZSA-N 1 2 226.349 1.360 20 0 BDADLO Cn1ncnc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000341187533 386858349 /nfs/dbraw/zinc/85/83/49/386858349.db2.gz CVOZODHNHFRNED-GFCCVEGCSA-N 1 2 246.314 1.028 20 0 BDADLO CCCC(CCC)[NH2+][C@H](COC)C(=O)OC ZINC000336739691 386894099 /nfs/dbraw/zinc/89/40/99/386894099.db2.gz PJBQOXCKJAFWNJ-LLVKDONJSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1ncoc1C(=O)Nc1cc[nH+]cc1C ZINC000335741505 386859486 /nfs/dbraw/zinc/85/94/86/386859486.db2.gz QJAGANKASYDXFA-UHFFFAOYSA-N 1 2 217.228 1.361 20 0 BDADLO CC[C@@H](C)CONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293694072 386864820 /nfs/dbraw/zinc/86/48/20/386864820.db2.gz KKBVTELUXHPOMY-XNPJLODASA-N 1 2 223.276 1.517 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C=CCCC1 ZINC000341244216 386865314 /nfs/dbraw/zinc/86/53/14/386865314.db2.gz WOVRCDPCPXUPEB-VXGBXAGGSA-N 1 2 248.330 1.680 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cn(C)nc2C)n1 ZINC000341258278 386869451 /nfs/dbraw/zinc/86/94/51/386869451.db2.gz WKDHFOFVGRQCFK-UHFFFAOYSA-N 1 2 249.318 1.445 20 0 BDADLO Cc1c[nH+]c(CNc2ccc3[nH]nnc3c2)n1C ZINC000341259515 386870744 /nfs/dbraw/zinc/87/07/44/386870744.db2.gz MVGVUUOAJXOCIN-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO Cc1c[nH+]c(CNc2ccc3nn[nH]c3c2)n1C ZINC000341259515 386870749 /nfs/dbraw/zinc/87/07/49/386870749.db2.gz MVGVUUOAJXOCIN-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO Cc1c[nH+]c(CN[C@@H]2CCCc3c[nH]nc32)n1C ZINC000341287411 386879201 /nfs/dbraw/zinc/87/92/01/386879201.db2.gz QKIHZQOJSCEQRN-LLVKDONJSA-N 1 2 245.330 1.619 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)[nH]2)CCCO1 ZINC000331684009 386881906 /nfs/dbraw/zinc/88/19/06/386881906.db2.gz RYWINTOOWQNZRC-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)[nH]2)CCCO1 ZINC000331684009 386881911 /nfs/dbraw/zinc/88/19/11/386881911.db2.gz RYWINTOOWQNZRC-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO Nc1nc(N[C@@H]2CCCOC2)[nH+]c2ccccc12 ZINC000301862622 386887243 /nfs/dbraw/zinc/88/72/43/386887243.db2.gz GFDLGCTTYJMKFY-SECBINFHSA-N 1 2 244.298 1.803 20 0 BDADLO C[C@@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301898678 386888956 /nfs/dbraw/zinc/88/89/56/386888956.db2.gz SJYATXPFBGBVQR-QMMMGPOBSA-N 1 2 249.318 1.374 20 0 BDADLO C[C@]1(O)CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000301904224 386889395 /nfs/dbraw/zinc/88/93/95/386889395.db2.gz PMEOZBDPHMPJPT-ZDUSSCGKSA-N 1 2 244.298 1.173 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301905666 386889991 /nfs/dbraw/zinc/88/99/91/386889991.db2.gz QHKJROUWCVHRSO-DTWKUNHWSA-N 1 2 246.314 1.641 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnc2ccccn12 ZINC000335768839 386914144 /nfs/dbraw/zinc/91/41/44/386914144.db2.gz ARVLIOLBIVBFEY-MNOVXSKESA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnc2ccccn12 ZINC000335768839 386914146 /nfs/dbraw/zinc/91/41/46/386914146.db2.gz ARVLIOLBIVBFEY-MNOVXSKESA-N 1 2 249.289 1.239 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000335761850 386900748 /nfs/dbraw/zinc/90/07/48/386900748.db2.gz PEUWTHQXDVBIQY-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000335761850 386900750 /nfs/dbraw/zinc/90/07/50/386900750.db2.gz PEUWTHQXDVBIQY-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO CC(C)[C@@](C)(CO)[NH2+]Cc1noc(C2CC2)n1 ZINC000352889879 386903482 /nfs/dbraw/zinc/90/34/82/386903482.db2.gz BGXMIBOPNDVJBK-GFCCVEGCSA-N 1 2 239.319 1.444 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(F)cn1 ZINC000335766368 386908372 /nfs/dbraw/zinc/90/83/72/386908372.db2.gz HEOMNWNCCPBMGX-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(F)cn1 ZINC000335766368 386908375 /nfs/dbraw/zinc/90/83/75/386908375.db2.gz HEOMNWNCCPBMGX-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO CC(F)(F)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367968544 386923599 /nfs/dbraw/zinc/92/35/99/386923599.db2.gz PEKXJRPCVGWENE-ZETCQYMHSA-N 1 2 229.230 1.728 20 0 BDADLO O=C(COc1cc[nH+]cc1)N1CCCCC1 ZINC000335774208 386924465 /nfs/dbraw/zinc/92/44/65/386924465.db2.gz ZTMZRDSWOJSWHD-UHFFFAOYSA-N 1 2 220.272 1.473 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC2)C1 ZINC000334870381 386930780 /nfs/dbraw/zinc/93/07/80/386930780.db2.gz KMOVKVIHFPOPLI-SECBINFHSA-N 1 2 234.303 1.081 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000302741456 386933900 /nfs/dbraw/zinc/93/39/00/386933900.db2.gz DAQDDZXKNCFCRO-SNVBAGLBSA-N 1 2 248.330 1.633 20 0 BDADLO CCn1c[nH+]cc1CN(CCO)c1ccccc1 ZINC000418016284 386935009 /nfs/dbraw/zinc/93/50/09/386935009.db2.gz QTXYTSWZQMJAOW-UHFFFAOYSA-N 1 2 245.326 1.902 20 0 BDADLO Cc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)on1 ZINC000330986761 386941013 /nfs/dbraw/zinc/94/10/13/386941013.db2.gz GEYQDSCPLRNASF-SNVBAGLBSA-N 1 2 248.286 1.833 20 0 BDADLO CC(C)[C@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302877902 386941757 /nfs/dbraw/zinc/94/17/57/386941757.db2.gz GTMHNFWUUKUGIC-MRVPVSSYSA-N 1 2 248.334 1.650 20 0 BDADLO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](F)C1 ZINC000334817836 386945030 /nfs/dbraw/zinc/94/50/30/386945030.db2.gz KUDZAKDWFAOZGT-VIFPVBQESA-N 1 2 230.308 1.262 20 0 BDADLO Cc1csc(=O)n1CC[N@H+]1CC[C@H](F)C1 ZINC000334817836 386945032 /nfs/dbraw/zinc/94/50/32/386945032.db2.gz KUDZAKDWFAOZGT-VIFPVBQESA-N 1 2 230.308 1.262 20 0 BDADLO Fc1ccc(OCC[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368333046 386961974 /nfs/dbraw/zinc/96/19/74/386961974.db2.gz RXLJXQVRLLKVAM-OLZOCXBDSA-N 1 2 237.274 1.678 20 0 BDADLO Fc1ccc(OCC[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368333046 386961979 /nfs/dbraw/zinc/96/19/79/386961979.db2.gz RXLJXQVRLLKVAM-OLZOCXBDSA-N 1 2 237.274 1.678 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@H](C)O)s1 ZINC000358490913 386963437 /nfs/dbraw/zinc/96/34/37/386963437.db2.gz MSKGPYQFTBPBJN-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@H](C)O)s1 ZINC000358490913 386963442 /nfs/dbraw/zinc/96/34/42/386963442.db2.gz MSKGPYQFTBPBJN-ZETCQYMHSA-N 1 2 215.322 1.049 20 0 BDADLO CCCC[N@H+](CCO)Cc1nnc(C)s1 ZINC000358499420 386965695 /nfs/dbraw/zinc/96/56/95/386965695.db2.gz OEUNDMOTFUFIDR-UHFFFAOYSA-N 1 2 229.349 1.441 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nnc(C)s1 ZINC000358499420 386965700 /nfs/dbraw/zinc/96/57/00/386965700.db2.gz OEUNDMOTFUFIDR-UHFFFAOYSA-N 1 2 229.349 1.441 20 0 BDADLO C[N@H+](CCCCCF)Cc1nnc[nH]1 ZINC000341876250 386981955 /nfs/dbraw/zinc/98/19/55/386981955.db2.gz MPDZHBIAMSTUPO-UHFFFAOYSA-N 1 2 200.261 1.376 20 0 BDADLO C[N@@H+](CCCCCF)Cc1nnc[nH]1 ZINC000341876250 386981961 /nfs/dbraw/zinc/98/19/61/386981961.db2.gz MPDZHBIAMSTUPO-UHFFFAOYSA-N 1 2 200.261 1.376 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1ncon1 ZINC000368542700 386983637 /nfs/dbraw/zinc/98/36/37/386983637.db2.gz HCISTDPTADMNBK-SNVBAGLBSA-N 1 2 233.275 1.140 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331208662 386989661 /nfs/dbraw/zinc/98/96/61/386989661.db2.gz VWDXSYKGERNFNU-UHFFFAOYSA-N 1 2 240.351 1.305 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000331208662 386989667 /nfs/dbraw/zinc/98/96/67/386989667.db2.gz VWDXSYKGERNFNU-UHFFFAOYSA-N 1 2 240.351 1.305 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)SC)c1[nH]cc[nH+]1 ZINC000331260101 387001128 /nfs/dbraw/zinc/00/11/28/387001128.db2.gz AVAWQLVDMGEVKD-JGVFFNPUSA-N 1 2 227.333 1.729 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC1CCC1 ZINC000267240200 387003029 /nfs/dbraw/zinc/00/30/29/387003029.db2.gz QODIAGBNIMCGKD-UHFFFAOYSA-N 1 2 207.277 1.525 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2cnccn2)s1 ZINC000358733776 387004791 /nfs/dbraw/zinc/00/47/91/387004791.db2.gz COYSLNVMOQWUPU-UHFFFAOYSA-N 1 2 249.343 1.311 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2cnccn2)s1 ZINC000358733776 387004793 /nfs/dbraw/zinc/00/47/93/387004793.db2.gz COYSLNVMOQWUPU-UHFFFAOYSA-N 1 2 249.343 1.311 20 0 BDADLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000334820460 386948816 /nfs/dbraw/zinc/94/88/16/386948816.db2.gz XNKCURUIVPHYMA-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000334820460 386948818 /nfs/dbraw/zinc/94/88/18/386948818.db2.gz XNKCURUIVPHYMA-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358407093 386950495 /nfs/dbraw/zinc/95/04/95/386950495.db2.gz FAKRPXPPKADLJU-UWVGGRQHSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358407093 386950499 /nfs/dbraw/zinc/95/04/99/386950499.db2.gz FAKRPXPPKADLJU-UWVGGRQHSA-N 1 2 235.331 1.819 20 0 BDADLO Cc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)n(C)n1 ZINC000334955906 387034662 /nfs/dbraw/zinc/03/46/62/387034662.db2.gz NBOPWRRQQBDIDI-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369360597 387039963 /nfs/dbraw/zinc/03/99/63/387039963.db2.gz XVBBPDSFCQIPEI-LLVKDONJSA-N 1 2 235.331 1.926 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(C)nn1C ZINC000334959618 387040085 /nfs/dbraw/zinc/04/00/85/387040085.db2.gz BMQOLSIWATXNPR-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(C)nn1C ZINC000334959618 387040088 /nfs/dbraw/zinc/04/00/88/387040088.db2.gz BMQOLSIWATXNPR-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@H](CO)[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000358983603 387040647 /nfs/dbraw/zinc/04/06/47/387040647.db2.gz KHOXVIFNOJJCOA-NEPJUHHUSA-N 1 2 246.314 1.255 20 0 BDADLO Cc1nnc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)nc1C ZINC000333730173 387051278 /nfs/dbraw/zinc/05/12/78/387051278.db2.gz TWLSIMMOOIEIIM-XCBNKYQSSA-N 1 2 244.302 1.803 20 0 BDADLO CC[C@@H](C)c1cc(C(=O)NCc2c[nH+]c[nH]2)on1 ZINC000359114953 387056218 /nfs/dbraw/zinc/05/62/18/387056218.db2.gz HKRGIZGUWKPARB-MRVPVSSYSA-N 1 2 248.286 1.841 20 0 BDADLO CC[C@@H](C)c1cc(C(=O)NCc2c[nH]c[nH+]2)on1 ZINC000359114953 387056223 /nfs/dbraw/zinc/05/62/23/387056223.db2.gz HKRGIZGUWKPARB-MRVPVSSYSA-N 1 2 248.286 1.841 20 0 BDADLO O=C(CCc1nccs1)NCc1c[nH+]c[nH]1 ZINC000359113712 387056514 /nfs/dbraw/zinc/05/65/14/387056514.db2.gz CKWXOZBEDCGOMF-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO O=C(CCc1nccs1)NCc1c[nH]c[nH+]1 ZINC000359113712 387056518 /nfs/dbraw/zinc/05/65/18/387056518.db2.gz CKWXOZBEDCGOMF-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CSCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000359128465 387057319 /nfs/dbraw/zinc/05/73/19/387057319.db2.gz YPTDQZIHXFWLRB-UHFFFAOYSA-N 1 2 227.333 1.559 20 0 BDADLO CSCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000359128465 387057323 /nfs/dbraw/zinc/05/73/23/387057323.db2.gz YPTDQZIHXFWLRB-UHFFFAOYSA-N 1 2 227.333 1.559 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1ccsc1 ZINC000359130276 387057977 /nfs/dbraw/zinc/05/79/77/387057977.db2.gz LEGWAILKSNUXHO-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1ccsc1 ZINC000359130276 387057984 /nfs/dbraw/zinc/05/79/84/387057984.db2.gz LEGWAILKSNUXHO-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nnnn1C ZINC000359138575 387059174 /nfs/dbraw/zinc/05/91/74/387059174.db2.gz LEUWJEGYNDMLOD-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnnn1C ZINC000359138575 387059177 /nfs/dbraw/zinc/05/91/77/387059177.db2.gz LEUWJEGYNDMLOD-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCO[C@H](CF)C1 ZINC000425372358 387011905 /nfs/dbraw/zinc/01/19/05/387011905.db2.gz SIOCYNLPHNXUJV-GFCCVEGCSA-N 1 2 241.310 1.634 20 0 BDADLO CS[C@H]1CC[C@H]1[NH2+][C@@H](C)C(=O)OC(C)C ZINC000425372119 387012209 /nfs/dbraw/zinc/01/22/09/387012209.db2.gz RUVSVQJUCGXCIW-AEJSXWLSSA-N 1 2 231.361 1.810 20 0 BDADLO C[C@@H](CC(=O)NCc1ccno1)n1cc[nH+]c1 ZINC000514609257 387014900 /nfs/dbraw/zinc/01/49/00/387014900.db2.gz PHWXPDRCLCYSBF-VIFPVBQESA-N 1 2 234.259 1.139 20 0 BDADLO CC[C@H](O)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000331346297 387017406 /nfs/dbraw/zinc/01/74/06/387017406.db2.gz VZZWJWPRWADOSA-JTQLQIEISA-N 1 2 222.288 1.798 20 0 BDADLO CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000368950505 387022397 /nfs/dbraw/zinc/02/23/97/387022397.db2.gz AHUZLERHUCSXQV-JTQLQIEISA-N 1 2 207.277 1.146 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000368968185 387023223 /nfs/dbraw/zinc/02/32/23/387023223.db2.gz HCCQSDFVMROMMK-ZJUUUORDSA-N 1 2 245.282 1.433 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC(CC(F)F)C1 ZINC000425365974 387024316 /nfs/dbraw/zinc/02/43/16/387024316.db2.gz NPAVBKCGPWUAJE-UHFFFAOYSA-N 1 2 215.247 1.805 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC(CC(F)F)C1 ZINC000425365974 387024321 /nfs/dbraw/zinc/02/43/21/387024321.db2.gz NPAVBKCGPWUAJE-UHFFFAOYSA-N 1 2 215.247 1.805 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccno2)nn1C ZINC000648023487 387028518 /nfs/dbraw/zinc/02/85/18/387028518.db2.gz HBCUYNRYKRRQPW-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO Cc1nc(N2CCCCCC2)nc(N(C)C)[nH+]1 ZINC000359246697 387075051 /nfs/dbraw/zinc/07/50/51/387075051.db2.gz CBFGAYKOROOXSY-UHFFFAOYSA-N 1 2 235.335 1.626 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCCCC2)[nH+]1 ZINC000359246697 387075059 /nfs/dbraw/zinc/07/50/59/387075059.db2.gz CBFGAYKOROOXSY-UHFFFAOYSA-N 1 2 235.335 1.626 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H]2CO)nn1C ZINC000334992365 387082996 /nfs/dbraw/zinc/08/29/96/387082996.db2.gz ARNSAEZSUMQYTN-VIFPVBQESA-N 1 2 243.738 1.339 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H]2CO)nn1C ZINC000334992365 387082998 /nfs/dbraw/zinc/08/29/98/387082998.db2.gz ARNSAEZSUMQYTN-VIFPVBQESA-N 1 2 243.738 1.339 20 0 BDADLO Fc1cc(F)cc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000066971000 387091194 /nfs/dbraw/zinc/09/11/94/387091194.db2.gz NMNFRBWXYHQGHY-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000336267333 387102174 /nfs/dbraw/zinc/10/21/74/387102174.db2.gz JFECZQJRANAJTO-GFCCVEGCSA-N 1 2 228.311 1.433 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000336267333 387102180 /nfs/dbraw/zinc/10/21/80/387102180.db2.gz JFECZQJRANAJTO-GFCCVEGCSA-N 1 2 228.311 1.433 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000333960322 387113872 /nfs/dbraw/zinc/11/38/72/387113872.db2.gz KYPJCLXRNFRKLG-MWLCHTKSSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000333960322 387113875 /nfs/dbraw/zinc/11/38/75/387113875.db2.gz KYPJCLXRNFRKLG-MWLCHTKSSA-N 1 2 247.342 1.819 20 0 BDADLO CCCCOCC(=O)NCc1[nH]c[nH+]c1C ZINC000359515178 387115560 /nfs/dbraw/zinc/11/55/60/387115560.db2.gz RQCMBIMDPRZQSS-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1nccs1)C1CC1 ZINC000336766687 387117212 /nfs/dbraw/zinc/11/72/12/387117212.db2.gz PESNYSAUPMKEJY-SNVBAGLBSA-N 1 2 240.328 1.227 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccn(C)n1 ZINC000336283374 387117878 /nfs/dbraw/zinc/11/78/78/387117878.db2.gz GRFVAZSCPGSALU-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccn(C)n1 ZINC000336283374 387117882 /nfs/dbraw/zinc/11/78/82/387117882.db2.gz GRFVAZSCPGSALU-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO Cc1cc(C)c(NC(=O)C(=O)NC(C)C)c(C)[nH+]1 ZINC000336284821 387118638 /nfs/dbraw/zinc/11/86/38/387118638.db2.gz UALOEAATONJXQR-UHFFFAOYSA-N 1 2 249.314 1.470 20 0 BDADLO Cc1ccc(F)c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000071140245 387121134 /nfs/dbraw/zinc/12/11/34/387121134.db2.gz HNBGTMOYPJSACT-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000359604118 387124344 /nfs/dbraw/zinc/12/43/44/387124344.db2.gz WGXKQIVYEOJZRS-ONGXEEELSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@](C)(F)C1 ZINC000359604118 387124349 /nfs/dbraw/zinc/12/43/49/387124349.db2.gz WGXKQIVYEOJZRS-ONGXEEELSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000359604116 387124414 /nfs/dbraw/zinc/12/44/14/387124414.db2.gz WGXKQIVYEOJZRS-MWLCHTKSSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000359604116 387124418 /nfs/dbraw/zinc/12/44/18/387124418.db2.gz WGXKQIVYEOJZRS-MWLCHTKSSA-N 1 2 215.268 1.372 20 0 BDADLO O=S1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000119389544 387125035 /nfs/dbraw/zinc/12/50/35/387125035.db2.gz RYLWPQYHTPUWJS-UHFFFAOYSA-N 1 2 249.335 1.997 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000359586155 387128568 /nfs/dbraw/zinc/12/85/68/387128568.db2.gz CVZOEWMUSIAFDZ-NSHDSACASA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCOC2(CCC2)C1 ZINC000359586155 387128571 /nfs/dbraw/zinc/12/85/71/387128571.db2.gz CVZOEWMUSIAFDZ-NSHDSACASA-N 1 2 239.315 1.193 20 0 BDADLO Cn1c[nH+]cc1COc1ccc(CCO)cc1 ZINC000229179710 387144084 /nfs/dbraw/zinc/14/40/84/387144084.db2.gz UBKQLUGLRYZSBK-UHFFFAOYSA-N 1 2 232.283 1.534 20 0 BDADLO CC(C)COCCC(=O)NCc1c[nH+]c[nH]1 ZINC000359676259 387144779 /nfs/dbraw/zinc/14/47/79/387144779.db2.gz FGFPRMMHILEUQC-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO CC(C)COCCC(=O)NCc1c[nH]c[nH+]1 ZINC000359676259 387144782 /nfs/dbraw/zinc/14/47/82/387144782.db2.gz FGFPRMMHILEUQC-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)CO)ccn12 ZINC000571701046 387148924 /nfs/dbraw/zinc/14/89/24/387148924.db2.gz RWECEQYLRNHLAP-SNVBAGLBSA-N 1 2 247.298 1.096 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@@H](O)C(F)(F)F ZINC000571700922 387149778 /nfs/dbraw/zinc/14/97/78/387149778.db2.gz BVVBIHJHEWBIBQ-MRVPVSSYSA-N 1 2 249.236 1.241 20 0 BDADLO O=C1CCCN1CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353175030 387150291 /nfs/dbraw/zinc/15/02/91/387150291.db2.gz RFZLQPZVDSDJMI-SECBINFHSA-N 1 2 232.274 1.338 20 0 BDADLO O=C1CCCN1CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353175030 387150294 /nfs/dbraw/zinc/15/02/94/387150294.db2.gz RFZLQPZVDSDJMI-SECBINFHSA-N 1 2 232.274 1.338 20 0 BDADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000120034058 387151268 /nfs/dbraw/zinc/15/12/68/387151268.db2.gz AAHJQDFJXILCPZ-LLVKDONJSA-N 1 2 247.342 1.611 20 0 BDADLO COCc1noc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000186961447 387155333 /nfs/dbraw/zinc/15/53/33/387155333.db2.gz QEYJPBSTOQIGBX-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO COCc1noc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000186961447 387155337 /nfs/dbraw/zinc/15/53/37/387155337.db2.gz QEYJPBSTOQIGBX-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H](CC2CC2)C1 ZINC000359729738 387156445 /nfs/dbraw/zinc/15/64/45/387156445.db2.gz NRBPZGMIRPQURW-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO c1nn2ccccc2c1C[N@@H+]1CCOCC12CC2 ZINC000336360193 387193050 /nfs/dbraw/zinc/19/30/50/387193050.db2.gz DSMJWFDGCYBGNW-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1nn2ccccc2c1C[N@H+]1CCOCC12CC2 ZINC000336360193 387193054 /nfs/dbraw/zinc/19/30/54/387193054.db2.gz DSMJWFDGCYBGNW-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000336338773 387164288 /nfs/dbraw/zinc/16/42/88/387164288.db2.gz NKSMVENFBDIMBP-GFCCVEGCSA-N 1 2 237.347 1.932 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1CCOC[C@H](C)C1 ZINC000336338773 387164292 /nfs/dbraw/zinc/16/42/92/387164292.db2.gz NKSMVENFBDIMBP-GFCCVEGCSA-N 1 2 237.347 1.932 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000353258499 387166516 /nfs/dbraw/zinc/16/65/16/387166516.db2.gz UHMYSAUOYNYWFX-BDAKNGLRSA-N 1 2 239.323 1.036 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000353258499 387166520 /nfs/dbraw/zinc/16/65/20/387166520.db2.gz UHMYSAUOYNYWFX-BDAKNGLRSA-N 1 2 239.323 1.036 20 0 BDADLO CCO[C@H]1COCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000353278597 387170742 /nfs/dbraw/zinc/17/07/42/387170742.db2.gz RJVVFMJQVUBEPC-MNOVXSKESA-N 1 2 237.303 1.391 20 0 BDADLO CNc1cccnc1CNc1cc(C)[nH+]cn1 ZINC000359830099 387172367 /nfs/dbraw/zinc/17/23/67/387172367.db2.gz JNYFMDRFEAAECS-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO Cc1nc(N2CCC[C@@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000120146324 387178150 /nfs/dbraw/zinc/17/81/50/387178150.db2.gz YNMHWWIGSNLRRR-MWLCHTKSSA-N 1 2 221.304 1.382 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC1(F)CCC1 ZINC000571833414 387178867 /nfs/dbraw/zinc/17/88/67/387178867.db2.gz TWINDXALNRODKP-UHFFFAOYSA-N 1 2 239.294 1.741 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC1(F)CCC1 ZINC000571833414 387178875 /nfs/dbraw/zinc/17/88/75/387178875.db2.gz TWINDXALNRODKP-UHFFFAOYSA-N 1 2 239.294 1.741 20 0 BDADLO O=C1CC[N@H+](C/C(Cl)=C/Cl)CCN1 ZINC000268620911 387179186 /nfs/dbraw/zinc/17/91/86/387179186.db2.gz BICVWSKKLCUOQP-ALCCZGGFSA-N 1 2 223.103 1.127 20 0 BDADLO O=C1CC[N@@H+](C/C(Cl)=C/Cl)CCN1 ZINC000268620911 387179198 /nfs/dbraw/zinc/17/91/98/387179198.db2.gz BICVWSKKLCUOQP-ALCCZGGFSA-N 1 2 223.103 1.127 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)(F)CN)C12CCC2 ZINC000423334777 387181654 /nfs/dbraw/zinc/18/16/54/387181654.db2.gz FYAWXLSBMAHZNA-NXEZZACHSA-N 1 2 248.317 1.518 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000352423164 387188655 /nfs/dbraw/zinc/18/86/55/387188655.db2.gz WTFWTUAUFQJXTE-GMXVVIOVSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)C[N@H+]1CC=C(c2cccnc2)CC1 ZINC000371335613 387194061 /nfs/dbraw/zinc/19/40/61/387194061.db2.gz LKCUOXZPNUAJDW-UHFFFAOYSA-N 1 2 232.283 1.344 20 0 BDADLO COC(=O)C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000371335613 387194064 /nfs/dbraw/zinc/19/40/64/387194064.db2.gz LKCUOXZPNUAJDW-UHFFFAOYSA-N 1 2 232.283 1.344 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1C/C=C/c1ccncc1 ZINC000336305709 387133792 /nfs/dbraw/zinc/13/37/92/387133792.db2.gz MHLCEQXXQIFFFN-ONEGZZNKSA-N 1 2 245.326 1.305 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1C/C=C/c1ccncc1 ZINC000336305709 387133795 /nfs/dbraw/zinc/13/37/95/387133795.db2.gz MHLCEQXXQIFFFN-ONEGZZNKSA-N 1 2 245.326 1.305 20 0 BDADLO CC[N@H+](CCOCC1CC1)Cc1cn(C)nn1 ZINC000359629762 387138542 /nfs/dbraw/zinc/13/85/42/387138542.db2.gz CWPAXQCCVPWDAZ-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO CC[N@@H+](CCOCC1CC1)Cc1cn(C)nn1 ZINC000359629762 387138548 /nfs/dbraw/zinc/13/85/48/387138548.db2.gz CWPAXQCCVPWDAZ-UHFFFAOYSA-N 1 2 238.335 1.064 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336311360 387140027 /nfs/dbraw/zinc/14/00/27/387140027.db2.gz HQIIXWVMMJSPAH-RYUDHWBXSA-N 1 2 249.358 1.948 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C1CC(O)C1 ZINC000353470277 387209637 /nfs/dbraw/zinc/20/96/37/387209637.db2.gz QMULSGPHLXXUJU-WXRRBKDZSA-N 1 2 249.310 1.356 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C1CC(O)C1 ZINC000353470277 387209640 /nfs/dbraw/zinc/20/96/40/387209640.db2.gz QMULSGPHLXXUJU-WXRRBKDZSA-N 1 2 249.310 1.356 20 0 BDADLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000336382262 387213392 /nfs/dbraw/zinc/21/33/92/387213392.db2.gz GSQNWSSGIXABQM-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnn(CC)c2)C[C@H](C)O1 ZINC000092486938 387213458 /nfs/dbraw/zinc/21/34/58/387213458.db2.gz VMUWBZJLRAUBCI-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)C[C@H](C)O1 ZINC000092486938 387213463 /nfs/dbraw/zinc/21/34/63/387213463.db2.gz VMUWBZJLRAUBCI-AAEUAGOBSA-N 1 2 237.347 1.902 20 0 BDADLO O=C(C=C1CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371437510 387214118 /nfs/dbraw/zinc/21/41/18/387214118.db2.gz AUQXMOIQSPBPSC-SNVBAGLBSA-N 1 2 231.299 1.494 20 0 BDADLO O=C(C=C1CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371437510 387214123 /nfs/dbraw/zinc/21/41/23/387214123.db2.gz AUQXMOIQSPBPSC-SNVBAGLBSA-N 1 2 231.299 1.494 20 0 BDADLO COC(=O)C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000353505658 387217711 /nfs/dbraw/zinc/21/77/11/387217711.db2.gz KYUFOKLWNIJOFL-UHFFFAOYSA-N 1 2 239.319 1.051 20 0 BDADLO COC(=O)C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000353505658 387217714 /nfs/dbraw/zinc/21/77/14/387217714.db2.gz KYUFOKLWNIJOFL-UHFFFAOYSA-N 1 2 239.319 1.051 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000648638974 387229639 /nfs/dbraw/zinc/22/96/39/387229639.db2.gz YVNFAQBHFGDSMD-JTQLQIEISA-N 1 2 223.320 1.203 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCOC[C@@H]1C ZINC000648638974 387229643 /nfs/dbraw/zinc/22/96/43/387229643.db2.gz YVNFAQBHFGDSMD-JTQLQIEISA-N 1 2 223.320 1.203 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000360115545 387230028 /nfs/dbraw/zinc/23/00/28/387230028.db2.gz NHWFVTSMSFMGGD-MWLCHTKSSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360115545 387230030 /nfs/dbraw/zinc/23/00/30/387230030.db2.gz NHWFVTSMSFMGGD-MWLCHTKSSA-N 1 2 249.362 1.516 20 0 BDADLO C[N@@H+]1CCO[C@H](CSCC(=O)C2(C)CC2)C1 ZINC000572120032 387239557 /nfs/dbraw/zinc/23/95/57/387239557.db2.gz FLWCTYRHRXGCKC-JTQLQIEISA-N 1 2 243.372 1.419 20 0 BDADLO C[N@H+]1CCO[C@H](CSCC(=O)C2(C)CC2)C1 ZINC000572120032 387239561 /nfs/dbraw/zinc/23/95/61/387239561.db2.gz FLWCTYRHRXGCKC-JTQLQIEISA-N 1 2 243.372 1.419 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000424665912 387241225 /nfs/dbraw/zinc/24/12/25/387241225.db2.gz OLBHWLZLVDYSSK-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)n1cccn1 ZINC000424669287 387241506 /nfs/dbraw/zinc/24/15/06/387241506.db2.gz YCOHPCLOIOLKQK-SNVBAGLBSA-N 1 2 247.302 1.216 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000371747154 387245114 /nfs/dbraw/zinc/24/51/14/387245114.db2.gz OUQVNKLQLAKSEC-CHWSQXEVSA-N 1 2 235.331 1.765 20 0 BDADLO C[C@H](CNC(=O)[C@@]1(C)C[C@H]1F)Cn1cc[nH+]c1 ZINC000424693171 387249424 /nfs/dbraw/zinc/24/94/24/387249424.db2.gz XFKGYDGMJAYGOE-FOGDFJRCSA-N 1 2 239.294 1.384 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ccccn1)c1nncn1C ZINC000352491148 387251227 /nfs/dbraw/zinc/25/12/27/387251227.db2.gz OAJOJLUSYKISIR-LBPRGKRZSA-N 1 2 245.330 1.697 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nnc(N)cc3C2)o1 ZINC000371375127 387201178 /nfs/dbraw/zinc/20/11/78/387201178.db2.gz TWHMEPCWRYGRSR-UHFFFAOYSA-N 1 2 244.298 1.349 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nnc(N)cc3C2)o1 ZINC000371375127 387201182 /nfs/dbraw/zinc/20/11/82/387201182.db2.gz TWHMEPCWRYGRSR-UHFFFAOYSA-N 1 2 244.298 1.349 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C(C)C)C2 ZINC000372551608 387310670 /nfs/dbraw/zinc/31/06/70/387310670.db2.gz VDKXPYHXUSMERE-SNVBAGLBSA-N 1 2 221.304 1.279 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000371874573 387254593 /nfs/dbraw/zinc/25/45/93/387254593.db2.gz NVOKDPJFGYUKGB-VIFPVBQESA-N 1 2 225.292 1.368 20 0 BDADLO CC(C)(O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000371874573 387254600 /nfs/dbraw/zinc/25/46/00/387254600.db2.gz NVOKDPJFGYUKGB-VIFPVBQESA-N 1 2 225.292 1.368 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000188189247 387256375 /nfs/dbraw/zinc/25/63/75/387256375.db2.gz OWFVXYLXQNVUMF-UWVGGRQHSA-N 1 2 237.303 1.935 20 0 BDADLO Cc1ccnc([C@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000353689527 387259509 /nfs/dbraw/zinc/25/95/09/387259509.db2.gz QBDUJIUHDBGULZ-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1csc(C[NH2+]Cc2[nH]ncc2C)n1 ZINC000290057844 387260032 /nfs/dbraw/zinc/26/00/32/387260032.db2.gz XMUHOPXMAHVNMP-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1csc(C[NH2+]Cc2n[nH]cc2C)n1 ZINC000290057844 387260039 /nfs/dbraw/zinc/26/00/39/387260039.db2.gz XMUHOPXMAHVNMP-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000336435509 387260593 /nfs/dbraw/zinc/26/05/93/387260593.db2.gz SEGPJYBFEASZDG-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000336435509 387260598 /nfs/dbraw/zinc/26/05/98/387260598.db2.gz SEGPJYBFEASZDG-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO CO[C@@H](C)C[N@H+](C)CC(=O)c1cccn1C ZINC000285453845 387264667 /nfs/dbraw/zinc/26/46/67/387264667.db2.gz AEKYZACTICLKQU-JTQLQIEISA-N 1 2 224.304 1.175 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)CC(=O)c1cccn1C ZINC000285453845 387264669 /nfs/dbraw/zinc/26/46/69/387264669.db2.gz AEKYZACTICLKQU-JTQLQIEISA-N 1 2 224.304 1.175 20 0 BDADLO CS[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353730898 387266002 /nfs/dbraw/zinc/26/60/02/387266002.db2.gz WKPVNJYFJVHERA-VHSXEESVSA-N 1 2 241.360 1.387 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H](F)C1 ZINC000360358574 387269447 /nfs/dbraw/zinc/26/94/47/387269447.db2.gz GMZPUCCKLLJNBX-UWVGGRQHSA-N 1 2 225.267 1.280 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](F)C1 ZINC000360350318 387269474 /nfs/dbraw/zinc/26/94/74/387269474.db2.gz BFAXSYLRWYPCHN-RKDXNWHRSA-N 1 2 225.267 1.349 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CC1=CCCOC1 ZINC000353800498 387277500 /nfs/dbraw/zinc/27/75/00/387277500.db2.gz BPCZUWVIXUDHMX-OHUAYANFSA-N 1 2 243.372 1.174 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CC1=CCCOC1 ZINC000353800498 387277503 /nfs/dbraw/zinc/27/75/03/387277503.db2.gz BPCZUWVIXUDHMX-OHUAYANFSA-N 1 2 243.372 1.174 20 0 BDADLO CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000360405286 387280260 /nfs/dbraw/zinc/28/02/60/387280260.db2.gz HEKDSDSSKGSOEL-UHFFFAOYSA-N 1 2 219.288 1.140 20 0 BDADLO COc1ncccc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000572258856 387289736 /nfs/dbraw/zinc/28/97/36/387289736.db2.gz YAHPKQUWNNHWEO-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO COc1ncccc1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000572258856 387289742 /nfs/dbraw/zinc/28/97/42/387289742.db2.gz YAHPKQUWNNHWEO-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CCC1 ZINC000353902645 387293866 /nfs/dbraw/zinc/29/38/66/387293866.db2.gz NNPFRSHHPZQOJE-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000372370869 387295922 /nfs/dbraw/zinc/29/59/22/387295922.db2.gz ZGKXERPLHOLKGO-RYUDHWBXSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000372370869 387295927 /nfs/dbraw/zinc/29/59/27/387295927.db2.gz ZGKXERPLHOLKGO-RYUDHWBXSA-N 1 2 236.290 1.974 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H](CO)CC(C)C)s1 ZINC000360494196 387299042 /nfs/dbraw/zinc/29/90/42/387299042.db2.gz CYKJTUCDURBNPE-SNVBAGLBSA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H](CO)CC(C)C)s1 ZINC000360494196 387299045 /nfs/dbraw/zinc/29/90/45/387299045.db2.gz CYKJTUCDURBNPE-SNVBAGLBSA-N 1 2 243.376 1.685 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336472900 387300836 /nfs/dbraw/zinc/30/08/36/387300836.db2.gz OVSQHWHVCSVBOK-VIFPVBQESA-N 1 2 244.298 1.185 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000336472900 387300840 /nfs/dbraw/zinc/30/08/40/387300840.db2.gz OVSQHWHVCSVBOK-VIFPVBQESA-N 1 2 244.298 1.185 20 0 BDADLO Cc1ccoc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000514873132 387301088 /nfs/dbraw/zinc/30/10/88/387301088.db2.gz XSCDRWMJVDJVJE-SNVBAGLBSA-N 1 2 247.298 1.806 20 0 BDADLO Cc1ccoc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000514873132 387301096 /nfs/dbraw/zinc/30/10/96/387301096.db2.gz XSCDRWMJVDJVJE-SNVBAGLBSA-N 1 2 247.298 1.806 20 0 BDADLO O=C(c1cscn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336532191 387355150 /nfs/dbraw/zinc/35/51/50/387355150.db2.gz YSDBPSXBTXLTGA-SECBINFHSA-N 1 2 248.311 1.844 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336532218 387355523 /nfs/dbraw/zinc/35/55/23/387355523.db2.gz GFNJCYGWDFIONZ-DTWKUNHWSA-N 1 2 223.276 1.108 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC12CCC2 ZINC000354385840 387370894 /nfs/dbraw/zinc/37/08/94/387370894.db2.gz GQOQIEJTHRQQLA-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO O=C1[C@H](n2cc[nH+]c2)CCCN1CC(F)(F)F ZINC000336552700 387373415 /nfs/dbraw/zinc/37/34/15/387373415.db2.gz FPJBWBQSUSFRQV-MRVPVSSYSA-N 1 2 247.220 1.609 20 0 BDADLO Cc1ccc(NC(=O)Cc2ccon2)c(C)[nH+]1 ZINC000121520345 387376164 /nfs/dbraw/zinc/37/61/64/387376164.db2.gz RONNFHJPVKQCSD-UHFFFAOYSA-N 1 2 231.255 1.868 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000515419937 387378399 /nfs/dbraw/zinc/37/83/99/387378399.db2.gz VGNXPWCPNIYIAN-VHSXEESVSA-N 1 2 207.277 1.140 20 0 BDADLO CCn1cccc1CNc1ccc(OC)c[nH+]1 ZINC000648481685 387378590 /nfs/dbraw/zinc/37/85/90/387378590.db2.gz BAWAGSKEIAOVQM-UHFFFAOYSA-N 1 2 231.299 1.946 20 0 BDADLO Cc1noc(C[N@H+]2CCSC[C@H]2C)n1 ZINC000336555483 387378937 /nfs/dbraw/zinc/37/89/37/387378937.db2.gz MNMACYWEQDRTHD-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1noc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000336555483 387378941 /nfs/dbraw/zinc/37/89/41/387378941.db2.gz MNMACYWEQDRTHD-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1ccccn1 ZINC000572322589 387321696 /nfs/dbraw/zinc/32/16/96/387321696.db2.gz UBBGPHNYUKVNGL-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1ccccn1 ZINC000572322589 387321699 /nfs/dbraw/zinc/32/16/99/387321699.db2.gz UBBGPHNYUKVNGL-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCC1(C)C ZINC000286272534 387322025 /nfs/dbraw/zinc/32/20/25/387322025.db2.gz DNEAELREFKGVIX-VIFPVBQESA-N 1 2 231.303 1.964 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)[C@@H](C)CO1 ZINC000029259114 387325325 /nfs/dbraw/zinc/32/53/25/387325325.db2.gz ZOFFRDNXIRQPCD-WDEREUQCSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)[C@@H](C)CO1 ZINC000029259114 387325332 /nfs/dbraw/zinc/32/53/32/387325332.db2.gz ZOFFRDNXIRQPCD-WDEREUQCSA-N 1 2 248.326 1.395 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000336505228 387330225 /nfs/dbraw/zinc/33/02/25/387330225.db2.gz NRPQLHJJDMKKRL-PWSUYJOCSA-N 1 2 242.294 1.840 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@](F)(CO)C2)o1 ZINC000336505228 387330229 /nfs/dbraw/zinc/33/02/29/387330229.db2.gz NRPQLHJJDMKKRL-PWSUYJOCSA-N 1 2 242.294 1.840 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000360664290 387330903 /nfs/dbraw/zinc/33/09/03/387330903.db2.gz OOGCDWZOJUJZBE-NOZJJQNGSA-N 1 2 234.299 1.830 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000354207506 387348287 /nfs/dbraw/zinc/34/82/87/387348287.db2.gz WLTMONNHRSOWIU-BDAKNGLRSA-N 1 2 207.277 1.115 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352664789 387426945 /nfs/dbraw/zinc/42/69/45/387426945.db2.gz CRIBHEFARUEUTL-ZJUUUORDSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352664789 387426950 /nfs/dbraw/zinc/42/69/50/387426950.db2.gz CRIBHEFARUEUTL-ZJUUUORDSA-N 1 2 239.319 1.538 20 0 BDADLO C[C@@H]1C[C@H]1N1C[C@@H](Nc2cccc[nH+]2)CC1=O ZINC000374168575 387430730 /nfs/dbraw/zinc/43/07/30/387430730.db2.gz YRBXTEGMHCLSLZ-OUAUKWLOSA-N 1 2 231.299 1.503 20 0 BDADLO c1snnc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000374254726 387435349 /nfs/dbraw/zinc/43/53/49/387435349.db2.gz NKGHVUUJEZTPAR-WDEREUQCSA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000374254726 387435354 /nfs/dbraw/zinc/43/53/54/387435354.db2.gz NKGHVUUJEZTPAR-WDEREUQCSA-N 1 2 239.344 1.682 20 0 BDADLO CCN(CCC1CC1)C(=O)CCn1cc[nH+]c1 ZINC000354868326 387440588 /nfs/dbraw/zinc/44/05/88/387440588.db2.gz LWYJCOBMOTZYCW-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000374334022 387443560 /nfs/dbraw/zinc/44/35/60/387443560.db2.gz SVBCPXDWNUYVQV-SSDOTTSWSA-N 1 2 247.220 1.298 20 0 BDADLO Cc1nnc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)s1 ZINC000354901369 387445658 /nfs/dbraw/zinc/44/56/58/387445658.db2.gz RPUMJCQZNOZUDA-WPRPVWTQSA-N 1 2 241.360 1.582 20 0 BDADLO Cc1nnc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)s1 ZINC000354901369 387445661 /nfs/dbraw/zinc/44/56/61/387445661.db2.gz RPUMJCQZNOZUDA-WPRPVWTQSA-N 1 2 241.360 1.582 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000374386127 387447108 /nfs/dbraw/zinc/44/71/08/387447108.db2.gz NMGMWIHFYQNPDK-ZYOFXKKJSA-N 1 2 245.326 1.702 20 0 BDADLO CCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374381247 387447603 /nfs/dbraw/zinc/44/76/03/387447603.db2.gz SFNWMBFFTOVCNX-NSHDSACASA-N 1 2 235.331 1.926 20 0 BDADLO CN(Cc1cccn1C)C(=O)CCc1[nH]cc[nH+]1 ZINC000354946298 387451365 /nfs/dbraw/zinc/45/13/65/387451365.db2.gz AZQYFOGLJZHHSI-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[C@H]1C)CCC2 ZINC000374435791 387455261 /nfs/dbraw/zinc/45/52/61/387455261.db2.gz KNZRNUGPSOVMAM-ADEWGFFLSA-N 1 2 247.342 1.841 20 0 BDADLO COC[C@@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000354969540 387456344 /nfs/dbraw/zinc/45/63/44/387456344.db2.gz CPBCVAGFZCTZLF-SNVBAGLBSA-N 1 2 247.298 1.028 20 0 BDADLO Cc1nc(C[N@@H+](C(C)C)[C@H]2CCOC2)no1 ZINC000361420862 387459220 /nfs/dbraw/zinc/45/92/20/387459220.db2.gz PURVPCVVWUZAEW-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@H+](C(C)C)[C@H]2CCOC2)no1 ZINC000361420862 387459227 /nfs/dbraw/zinc/45/92/27/387459227.db2.gz PURVPCVVWUZAEW-JTQLQIEISA-N 1 2 225.292 1.377 20 0 BDADLO C(c1nnc2n1CCOC2)[N@@H+]1CCCC2(CC2)C1 ZINC000373907833 387403054 /nfs/dbraw/zinc/40/30/54/387403054.db2.gz ZLBUDZLQZYWYBM-UHFFFAOYSA-N 1 2 248.330 1.184 20 0 BDADLO C(c1nnc2n1CCOC2)[N@H+]1CCCC2(CC2)C1 ZINC000373907833 387403060 /nfs/dbraw/zinc/40/30/60/387403060.db2.gz ZLBUDZLQZYWYBM-UHFFFAOYSA-N 1 2 248.330 1.184 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000648667963 387410831 /nfs/dbraw/zinc/41/08/31/387410831.db2.gz WJAQAYOCSPNRAM-RWMBFGLXSA-N 1 2 247.342 1.968 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C)O)no1 ZINC000303987290 387422481 /nfs/dbraw/zinc/42/24/81/387422481.db2.gz JEUWFQCDJKSUJP-WPRPVWTQSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)no1 ZINC000303987290 387422486 /nfs/dbraw/zinc/42/24/86/387422486.db2.gz JEUWFQCDJKSUJP-WPRPVWTQSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nnc(C[N@H+]2CCOCC[C@@H]2C)s1 ZINC000374991361 387503260 /nfs/dbraw/zinc/50/32/60/387503260.db2.gz XKWSGFDRWRGAFH-QMMMGPOBSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@@H+]2CCOCC[C@@H]2C)s1 ZINC000374991361 387503267 /nfs/dbraw/zinc/50/32/67/387503267.db2.gz XKWSGFDRWRGAFH-QMMMGPOBSA-N 1 2 227.333 1.457 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000421922726 387504467 /nfs/dbraw/zinc/50/44/67/387504467.db2.gz UNPNYWNFLCLUIK-NXEZZACHSA-N 1 2 235.331 1.992 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000421922726 387504471 /nfs/dbraw/zinc/50/44/71/387504471.db2.gz UNPNYWNFLCLUIK-NXEZZACHSA-N 1 2 235.331 1.992 20 0 BDADLO C[N@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361617020 387510729 /nfs/dbraw/zinc/51/07/29/387510729.db2.gz SQCPZTRYMOQFQS-UHFFFAOYSA-N 1 2 209.297 1.022 20 0 BDADLO C[N@@H+](Cc1nnnn1C(C)(C)C)C1CC1 ZINC000361617020 387510733 /nfs/dbraw/zinc/51/07/33/387510733.db2.gz SQCPZTRYMOQFQS-UHFFFAOYSA-N 1 2 209.297 1.022 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC1CCCCC1)[C@@H](C)O ZINC000361605352 387511270 /nfs/dbraw/zinc/51/12/70/387511270.db2.gz WUPNYHOLNGXAES-PWSUYJOCSA-N 1 2 243.347 1.469 20 0 BDADLO c1cnn([C@H]2CCC[N@@H+](Cc3ncccn3)C2)c1 ZINC000361711641 387524534 /nfs/dbraw/zinc/52/45/34/387524534.db2.gz KUCXESFWNLMIPE-LBPRGKRZSA-N 1 2 243.314 1.510 20 0 BDADLO c1cnn([C@H]2CCC[N@H+](Cc3ncccn3)C2)c1 ZINC000361711641 387524541 /nfs/dbraw/zinc/52/45/41/387524541.db2.gz KUCXESFWNLMIPE-LBPRGKRZSA-N 1 2 243.314 1.510 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC)C1CC1 ZINC000361748023 387529737 /nfs/dbraw/zinc/52/97/37/387529737.db2.gz PZUHPBNNJIXYDW-GRYCIOLGSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1cncc(F)c1 ZINC000361764873 387531893 /nfs/dbraw/zinc/53/18/93/387531893.db2.gz JDRYYSOYACNZBB-VIFPVBQESA-N 1 2 232.262 1.862 20 0 BDADLO CC(C)[C@@H]([NH2+]C[C@H](C)O)C(=O)OC(C)(C)C ZINC000192788769 387534111 /nfs/dbraw/zinc/53/41/11/387534111.db2.gz AEGDOPPQGXOJDJ-VHSXEESVSA-N 1 2 231.336 1.323 20 0 BDADLO CC[C@H](NC(=O)c1ccncn1)c1[nH]cc[nH+]1 ZINC000397031709 387534332 /nfs/dbraw/zinc/53/43/32/387534332.db2.gz XZFQXNIWKKNMEP-QMMMGPOBSA-N 1 2 231.259 1.081 20 0 BDADLO CCCS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000397088503 387536694 /nfs/dbraw/zinc/53/66/94/387536694.db2.gz JBELGBZGJJZREU-UHFFFAOYSA-N 1 2 242.344 1.528 20 0 BDADLO C[C@H](O)CCN(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000361813744 387538591 /nfs/dbraw/zinc/53/85/91/387538591.db2.gz MQRFBQAPLLPYPV-NSHDSACASA-N 1 2 246.314 1.474 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000426135966 387539317 /nfs/dbraw/zinc/53/93/17/387539317.db2.gz KASKDDSXEMGKLX-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)n1 ZINC000426135966 387539320 /nfs/dbraw/zinc/53/93/20/387539320.db2.gz KASKDDSXEMGKLX-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352761396 387467375 /nfs/dbraw/zinc/46/73/75/387467375.db2.gz TZPVDFDXXWRNPA-NHYWBVRUSA-N 1 2 233.377 1.256 20 0 BDADLO CCCCOCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000352761396 387467380 /nfs/dbraw/zinc/46/73/80/387467380.db2.gz TZPVDFDXXWRNPA-NHYWBVRUSA-N 1 2 233.377 1.256 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355057263 387472349 /nfs/dbraw/zinc/47/23/49/387472349.db2.gz RZCZAWUICGSRJP-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355057263 387472351 /nfs/dbraw/zinc/47/23/51/387472351.db2.gz RZCZAWUICGSRJP-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC1(C)C ZINC000516193030 387473749 /nfs/dbraw/zinc/47/37/49/387473749.db2.gz NPXTZXAMWRGMNS-VHSXEESVSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC1(C)C ZINC000516193030 387473758 /nfs/dbraw/zinc/47/37/58/387473758.db2.gz NPXTZXAMWRGMNS-VHSXEESVSA-N 1 2 235.331 1.751 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000355075195 387475075 /nfs/dbraw/zinc/47/50/75/387475075.db2.gz AJKCETXDDOXFMA-NSHDSACASA-N 1 2 241.360 1.018 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCSC[C@@H]1CCO ZINC000355075195 387475079 /nfs/dbraw/zinc/47/50/79/387475079.db2.gz AJKCETXDDOXFMA-NSHDSACASA-N 1 2 241.360 1.018 20 0 BDADLO CC(C)=C(F)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374650536 387477738 /nfs/dbraw/zinc/47/77/38/387477738.db2.gz XLFBCYYRLLZZLS-UHFFFAOYSA-N 1 2 237.278 1.797 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C[C@H]1C=CCC1)CC2 ZINC000374666269 387479005 /nfs/dbraw/zinc/47/90/05/387479005.db2.gz VVPBTGLHPWMQPT-LBPRGKRZSA-N 1 2 245.326 1.890 20 0 BDADLO CC(C)n1nccc1C[NH2+][C@H](C)c1ncnn1C ZINC000355124631 387482688 /nfs/dbraw/zinc/48/26/88/387482688.db2.gz ORIIQCVUJQGTHW-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000336634270 387484744 /nfs/dbraw/zinc/48/47/44/387484744.db2.gz VZRPFZVPXISRMQ-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000336634270 387484750 /nfs/dbraw/zinc/48/47/50/387484750.db2.gz VZRPFZVPXISRMQ-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nnsc1Cl ZINC000516310185 387492526 /nfs/dbraw/zinc/49/25/26/387492526.db2.gz FSFSHJOYQHTZAQ-RNFRBKRXSA-N 1 2 247.751 1.441 20 0 BDADLO Cc1nc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)no1 ZINC000528759156 387589893 /nfs/dbraw/zinc/58/98/93/387589893.db2.gz XMSRFXVKQXPQSK-UGYAYLCHSA-N 1 2 225.292 1.280 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1[C@H]1CCC(C)(C)C1 ZINC000375918322 387595067 /nfs/dbraw/zinc/59/50/67/387595067.db2.gz UVGXBQASRIAMMX-QWRGUYRKSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1[C@H]1CCC(C)(C)C1 ZINC000375918322 387595071 /nfs/dbraw/zinc/59/50/71/387595071.db2.gz UVGXBQASRIAMMX-QWRGUYRKSA-N 1 2 241.331 1.439 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCCC(F)(F)F ZINC000356027359 387607619 /nfs/dbraw/zinc/60/76/19/387607619.db2.gz AQPRDTPQECBDQN-UHFFFAOYSA-N 1 2 249.236 1.769 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)ccn1 ZINC000527539104 387608754 /nfs/dbraw/zinc/60/87/54/387608754.db2.gz ODWRXMQDANRDGU-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)ccn1 ZINC000527539104 387608758 /nfs/dbraw/zinc/60/87/58/387608758.db2.gz ODWRXMQDANRDGU-OLZOCXBDSA-N 1 2 233.359 1.914 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000305689532 387629461 /nfs/dbraw/zinc/62/94/61/387629461.db2.gz RCMKOZMMYWPTMO-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000305689532 387629466 /nfs/dbraw/zinc/62/94/66/387629466.db2.gz RCMKOZMMYWPTMO-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO CCOCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000356148567 387620918 /nfs/dbraw/zinc/62/09/18/387620918.db2.gz LOCVOOACAGXMMW-UHFFFAOYSA-N 1 2 247.298 1.943 20 0 BDADLO Cn1ccnc1C[N@H+](C)C/C=C\c1ccncc1 ZINC000426164433 387545248 /nfs/dbraw/zinc/54/52/48/387545248.db2.gz CVCKJHQLWMVXGL-ARJAWSKDSA-N 1 2 242.326 1.960 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C/C=C\c1ccncc1 ZINC000426164433 387545250 /nfs/dbraw/zinc/54/52/50/387545250.db2.gz CVCKJHQLWMVXGL-ARJAWSKDSA-N 1 2 242.326 1.960 20 0 BDADLO FCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000375548125 387552283 /nfs/dbraw/zinc/55/22/83/387552283.db2.gz YUYOMDCKMDVNML-NSHDSACASA-N 1 2 234.278 1.843 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1ncnn1CCF ZINC000440775754 387694743 /nfs/dbraw/zinc/69/47/43/387694743.db2.gz AGRDSNYISHJWSJ-SECBINFHSA-N 1 2 212.272 1.232 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1ncnn1CCF ZINC000440775754 387694747 /nfs/dbraw/zinc/69/47/47/387694747.db2.gz AGRDSNYISHJWSJ-SECBINFHSA-N 1 2 212.272 1.232 20 0 BDADLO Cc1nc(C2CC[NH+](Cc3ccon3)CC2)no1 ZINC000123055839 387642179 /nfs/dbraw/zinc/64/21/79/387642179.db2.gz KGMHDAGMHWWLDH-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000356357536 387647591 /nfs/dbraw/zinc/64/75/91/387647591.db2.gz YEJWLRGNDPQKKA-ZDUSSCGKSA-N 1 2 248.326 1.205 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000356357536 387647592 /nfs/dbraw/zinc/64/75/92/387647592.db2.gz YEJWLRGNDPQKKA-ZDUSSCGKSA-N 1 2 248.326 1.205 20 0 BDADLO Cc1cocc1C(=O)NCCCn1cc[nH+]c1 ZINC000527640738 387650621 /nfs/dbraw/zinc/65/06/21/387650621.db2.gz YUYYYAYXNRHRQB-UHFFFAOYSA-N 1 2 233.271 1.605 20 0 BDADLO CC[C@H](NC(=O)c1ccon1)c1[nH]cc[nH+]1 ZINC000125318013 387651466 /nfs/dbraw/zinc/65/14/66/387651466.db2.gz YWWAWBWJYUDDCS-ZETCQYMHSA-N 1 2 220.232 1.279 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000356401921 387652812 /nfs/dbraw/zinc/65/28/12/387652812.db2.gz XATMJFGYMHIAAB-HBNTYKKESA-N 1 2 223.320 1.716 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000356401921 387652815 /nfs/dbraw/zinc/65/28/15/387652815.db2.gz XATMJFGYMHIAAB-HBNTYKKESA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000356401921 387652819 /nfs/dbraw/zinc/65/28/19/387652819.db2.gz XATMJFGYMHIAAB-HBNTYKKESA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000356401921 387652821 /nfs/dbraw/zinc/65/28/21/387652821.db2.gz XATMJFGYMHIAAB-HBNTYKKESA-N 1 2 223.320 1.716 20 0 BDADLO C[C@H](C1CCC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000356539367 387670851 /nfs/dbraw/zinc/67/08/51/387670851.db2.gz AVFSCPWZPKPBAU-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO CCOCCN1CC[NH+](C[C@H](F)CC)CC1 ZINC000440711667 387676528 /nfs/dbraw/zinc/67/65/28/387676528.db2.gz IWLXRPVIFVZUPO-GFCCVEGCSA-N 1 2 232.343 1.389 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cnnn1CC ZINC000527730796 387678696 /nfs/dbraw/zinc/67/86/96/387678696.db2.gz UQFBGJOZTPGFIT-UHFFFAOYSA-N 1 2 235.291 1.138 20 0 BDADLO CCOCCN1CC[N@H+](C[C@@H](F)CC)C[C@@H]1C ZINC000440709909 387678811 /nfs/dbraw/zinc/67/88/11/387678811.db2.gz FKAAOGWWROTJFY-STQMWFEESA-N 1 2 246.370 1.777 20 0 BDADLO CCOCCN1CC[N@@H+](C[C@@H](F)CC)C[C@@H]1C ZINC000440709909 387678817 /nfs/dbraw/zinc/67/88/17/387678817.db2.gz FKAAOGWWROTJFY-STQMWFEESA-N 1 2 246.370 1.777 20 0 BDADLO Cn1nnc(C[NH2+]C/C=C/c2ccc(F)cc2)n1 ZINC000362960368 387680720 /nfs/dbraw/zinc/68/07/20/387680720.db2.gz MUELMGBCFAUIRE-NSCUHMNNSA-N 1 2 247.277 1.152 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@H](COC)C1 ZINC000440766584 387687413 /nfs/dbraw/zinc/68/74/13/387687413.db2.gz RQQFSWHWJXWZDE-UWVGGRQHSA-N 1 2 205.273 1.082 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@H](COC)C1 ZINC000440766584 387687415 /nfs/dbraw/zinc/68/74/15/387687415.db2.gz RQQFSWHWJXWZDE-UWVGGRQHSA-N 1 2 205.273 1.082 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363161000 387693621 /nfs/dbraw/zinc/69/36/21/387693621.db2.gz ODORJJRSUWMDIX-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO CCc1nc(C(C)(C)NCCn2cc[nH+]c2)no1 ZINC000441274422 387742617 /nfs/dbraw/zinc/74/26/17/387742617.db2.gz FRKZKPJYDSJZCL-UHFFFAOYSA-N 1 2 249.318 1.353 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCC2(C)C)C1 ZINC000521458707 387746641 /nfs/dbraw/zinc/74/66/41/387746641.db2.gz KFFDOWWTMFNEBQ-JTQLQIEISA-N 1 2 224.348 1.633 20 0 BDADLO CC[N@H+](CCCO)Cc1nc(C2CC2)no1 ZINC000128472514 387746838 /nfs/dbraw/zinc/74/68/38/387746838.db2.gz IDAOEEIRZAVQDW-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CC[N@@H+](CCCO)Cc1nc(C2CC2)no1 ZINC000128472514 387746845 /nfs/dbraw/zinc/74/68/45/387746845.db2.gz IDAOEEIRZAVQDW-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000367787202 387751545 /nfs/dbraw/zinc/75/15/45/387751545.db2.gz WWPFIIYVJGAYDV-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000367787202 387751548 /nfs/dbraw/zinc/75/15/48/387751548.db2.gz WWPFIIYVJGAYDV-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363188856 387696783 /nfs/dbraw/zinc/69/67/83/387696783.db2.gz RXNHOAVINUQCDM-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363188856 387696787 /nfs/dbraw/zinc/69/67/87/387696787.db2.gz RXNHOAVINUQCDM-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H](F)CC ZINC000440790659 387699251 /nfs/dbraw/zinc/69/92/51/387699251.db2.gz LSNTUVHBVXHRIQ-BDAKNGLRSA-N 1 2 205.273 1.618 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H](F)CC ZINC000440790659 387699259 /nfs/dbraw/zinc/69/92/59/387699259.db2.gz LSNTUVHBVXHRIQ-BDAKNGLRSA-N 1 2 205.273 1.618 20 0 BDADLO C[C@H](F)CCNC(=O)CCc1c[nH+]cn1C ZINC000356684722 387700172 /nfs/dbraw/zinc/70/01/72/387700172.db2.gz YOLVATQGSUBXHG-VIFPVBQESA-N 1 2 227.283 1.217 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC000452014625 387702387 /nfs/dbraw/zinc/70/23/87/387702387.db2.gz KZEJTHKSALCDFG-JMJZKYOTSA-N 1 2 239.319 1.986 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cncs2)n1 ZINC000527737839 387705700 /nfs/dbraw/zinc/70/57/00/387705700.db2.gz YPRBKDLHHYKAEB-UHFFFAOYSA-N 1 2 223.305 1.044 20 0 BDADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CCCCO ZINC000431423874 387708362 /nfs/dbraw/zinc/70/83/62/387708362.db2.gz VMLOAKSQGYABHP-UHFFFAOYSA-N 1 2 237.278 1.319 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000356723153 387708833 /nfs/dbraw/zinc/70/88/33/387708833.db2.gz DYQPOKXMZPWRRP-BDAKNGLRSA-N 1 2 239.294 1.694 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000356723153 387708837 /nfs/dbraw/zinc/70/88/37/387708837.db2.gz DYQPOKXMZPWRRP-BDAKNGLRSA-N 1 2 239.294 1.694 20 0 BDADLO CS(=O)(=O)CC1(COc2cc[nH+]cc2)CC1 ZINC000431485843 387710223 /nfs/dbraw/zinc/71/02/23/387710223.db2.gz VMVIKTNLZKITDJ-UHFFFAOYSA-N 1 2 241.312 1.285 20 0 BDADLO Cc1ccnc(COc2cc[nH+]cc2)n1 ZINC000431519521 387715754 /nfs/dbraw/zinc/71/57/54/387715754.db2.gz NYSBQTFPSPKKTN-UHFFFAOYSA-N 1 2 201.229 1.759 20 0 BDADLO CCCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484571 387719105 /nfs/dbraw/zinc/71/91/05/387719105.db2.gz LFUOEJNZLCJCIW-JTQLQIEISA-N 1 2 238.335 1.880 20 0 BDADLO CCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484571 387719109 /nfs/dbraw/zinc/71/91/09/387719109.db2.gz LFUOEJNZLCJCIW-JTQLQIEISA-N 1 2 238.335 1.880 20 0 BDADLO CCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484572 387720636 /nfs/dbraw/zinc/72/06/36/387720636.db2.gz LFUOEJNZLCJCIW-SNVBAGLBSA-N 1 2 238.335 1.880 20 0 BDADLO CCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484572 387720642 /nfs/dbraw/zinc/72/06/42/387720642.db2.gz LFUOEJNZLCJCIW-SNVBAGLBSA-N 1 2 238.335 1.880 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCCCO2)no1 ZINC000377498843 387723264 /nfs/dbraw/zinc/72/32/64/387723264.db2.gz XQEDVMHBRCWWQS-QWRGUYRKSA-N 1 2 237.303 1.776 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)no1 ZINC000377498843 387723272 /nfs/dbraw/zinc/72/32/72/387723272.db2.gz XQEDVMHBRCWWQS-QWRGUYRKSA-N 1 2 237.303 1.776 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)CN1CCCC1=O ZINC000527852664 387755566 /nfs/dbraw/zinc/75/55/66/387755566.db2.gz NZPKPDAAVOZHDJ-SNVBAGLBSA-N 1 2 249.314 1.513 20 0 BDADLO C[C@@H](F)CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377597058 387730561 /nfs/dbraw/zinc/73/05/61/387730561.db2.gz YHPXVWWMVONYPS-MRVPVSSYSA-N 1 2 242.298 1.438 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2CCc2cccnc2)no1 ZINC000377676809 387741603 /nfs/dbraw/zinc/74/16/03/387741603.db2.gz KCEGMJVYESKUCY-GFCCVEGCSA-N 1 2 244.298 1.844 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2CCc2cccnc2)no1 ZINC000377676809 387741611 /nfs/dbraw/zinc/74/16/11/387741611.db2.gz KCEGMJVYESKUCY-GFCCVEGCSA-N 1 2 244.298 1.844 20 0 BDADLO CC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000378119936 387765556 /nfs/dbraw/zinc/76/55/56/387765556.db2.gz ZVDYTVNZCRAWBL-UHFFFAOYSA-N 1 2 205.261 1.025 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNc1ncccn1)CCC2 ZINC000378228595 387773227 /nfs/dbraw/zinc/77/32/27/387773227.db2.gz DWDHAHMPMLRXFD-NSHDSACASA-N 1 2 243.314 1.971 20 0 BDADLO CCn1cc(CN(C)c2[nH+]cccc2OC)cn1 ZINC000527893793 387775986 /nfs/dbraw/zinc/77/59/86/387775986.db2.gz FWJQJNLHVZVDJN-UHFFFAOYSA-N 1 2 246.314 1.943 20 0 BDADLO COc1cccc(CCNc2cc[nH+]c(C)n2)n1 ZINC000441802980 387777740 /nfs/dbraw/zinc/77/77/40/387777740.db2.gz QMURPWLDGSIATR-UHFFFAOYSA-N 1 2 244.298 1.265 20 0 BDADLO Cc1cc(N2CC[C@H]([C@H]3CCOC3)C2)nc[nH+]1 ZINC000441955680 387784889 /nfs/dbraw/zinc/78/48/89/387784889.db2.gz RJDWOSHYRSPNCU-RYUDHWBXSA-N 1 2 233.315 1.648 20 0 BDADLO CCn1ncnc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000193570462 387794736 /nfs/dbraw/zinc/79/47/36/387794736.db2.gz XMYOIJPKXMVCJK-UWVGGRQHSA-N 1 2 238.335 1.032 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2nccc(N)n2)o1 ZINC000564097200 387826857 /nfs/dbraw/zinc/82/68/57/387826857.db2.gz WTXHACDHSYZVLP-SNVBAGLBSA-N 1 2 246.314 1.984 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H](C)c2nccc(N)n2)o1 ZINC000564097200 387826864 /nfs/dbraw/zinc/82/68/64/387826864.db2.gz WTXHACDHSYZVLP-SNVBAGLBSA-N 1 2 246.314 1.984 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432820443 387827963 /nfs/dbraw/zinc/82/79/63/387827963.db2.gz IEDNQJXERTVAIV-UHFFFAOYSA-N 1 2 242.392 1.897 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432820443 387827966 /nfs/dbraw/zinc/82/79/66/387827966.db2.gz IEDNQJXERTVAIV-UHFFFAOYSA-N 1 2 242.392 1.897 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000054858624 387829386 /nfs/dbraw/zinc/82/93/86/387829386.db2.gz WIEHNCVWAFUYPR-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000432849187 387834211 /nfs/dbraw/zinc/83/42/11/387834211.db2.gz ZSVPLFHBDXQICB-GHMZBOCLSA-N 1 2 235.331 1.859 20 0 BDADLO c1nc(C[N@@H+]2CCOCC3(CCC3)C2)co1 ZINC000432921656 387840796 /nfs/dbraw/zinc/84/07/96/387840796.db2.gz FERWLUYXFUUGCX-UHFFFAOYSA-N 1 2 222.288 1.677 20 0 BDADLO c1nc(C[N@H+]2CCOCC3(CCC3)C2)co1 ZINC000432921656 387840801 /nfs/dbraw/zinc/84/08/01/387840801.db2.gz FERWLUYXFUUGCX-UHFFFAOYSA-N 1 2 222.288 1.677 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccco1 ZINC000061783239 387844543 /nfs/dbraw/zinc/84/45/43/387844543.db2.gz ZVKPSVBVHVCUHZ-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000061783239 387844549 /nfs/dbraw/zinc/84/45/49/387844549.db2.gz ZVKPSVBVHVCUHZ-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2CC=CC2)[nH+]1 ZINC000528112779 387848001 /nfs/dbraw/zinc/84/80/01/387848001.db2.gz FFCWKFJFNOJDBG-UHFFFAOYSA-N 1 2 233.319 1.046 20 0 BDADLO Cc1nc(NCC2CC=CC2)nc(N(C)C)[nH+]1 ZINC000528112779 387848005 /nfs/dbraw/zinc/84/80/05/387848005.db2.gz FFCWKFJFNOJDBG-UHFFFAOYSA-N 1 2 233.319 1.046 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000423037027 387851045 /nfs/dbraw/zinc/85/10/45/387851045.db2.gz BAJAPCZUGKQYLD-SNVBAGLBSA-N 1 2 241.360 1.647 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccsc2)n1 ZINC000424166307 387851983 /nfs/dbraw/zinc/85/19/83/387851983.db2.gz AGEIUSVBLBAQPI-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCC(C)C ZINC000062367381 387854595 /nfs/dbraw/zinc/85/45/95/387854595.db2.gz INPZRMLJPZJSRZ-UHFFFAOYSA-N 1 2 219.292 1.914 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC[C@H](C)C1 ZINC000452568422 387859928 /nfs/dbraw/zinc/85/99/28/387859928.db2.gz ARBFJFUOOPRNOF-QWRGUYRKSA-N 1 2 235.331 1.955 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cccs2)n1 ZINC000424171255 387863243 /nfs/dbraw/zinc/86/32/43/387863243.db2.gz LQMFUGXTGHFISM-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423058686 387865438 /nfs/dbraw/zinc/86/54/38/387865438.db2.gz KCOSGSTVHLPFBU-QXFUBDJGSA-N 1 2 241.360 1.694 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)no1 ZINC000236026720 387870364 /nfs/dbraw/zinc/87/03/64/387870364.db2.gz JRKUIBONNGPKFY-MWLCHTKSSA-N 1 2 223.276 1.035 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000193980036 387871383 /nfs/dbraw/zinc/87/13/83/387871383.db2.gz UNBLVDRGVMBBAB-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000193980036 387871387 /nfs/dbraw/zinc/87/13/87/387871387.db2.gz UNBLVDRGVMBBAB-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO CN(Cc1cocn1)Cc1cn2c([nH+]1)CCCC2 ZINC000432783263 387816219 /nfs/dbraw/zinc/81/62/19/387816219.db2.gz AJCSXCYMKGNPOX-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](C(=O)N(C)C)C1 ZINC000528034333 387817857 /nfs/dbraw/zinc/81/78/57/387817857.db2.gz WIHPADAOGIXADD-SNVBAGLBSA-N 1 2 249.314 1.005 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](O)C(C)C)CCCCC1 ZINC000432824015 387819111 /nfs/dbraw/zinc/81/91/11/387819111.db2.gz RUNVCACQFXNMFX-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000448696444 387880132 /nfs/dbraw/zinc/88/01/32/387880132.db2.gz HZJPKYWPDBGFFX-ZYHUDNBSSA-N 1 2 247.342 1.810 20 0 BDADLO NC(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195036981 387901983 /nfs/dbraw/zinc/90/19/83/387901983.db2.gz NTRFIJLPFOZODI-LLVKDONJSA-N 1 2 247.323 1.307 20 0 BDADLO CC(C)c1nnc(C[NH+]2CCC(O)CC2)s1 ZINC000528350816 387905546 /nfs/dbraw/zinc/90/55/46/387905546.db2.gz UEZPWGYRJWDVNU-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cn1 ZINC000438383353 387933713 /nfs/dbraw/zinc/93/37/13/387933713.db2.gz QXYBVFUWICIZNX-SDDRHHMPSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cn1 ZINC000438383353 387933714 /nfs/dbraw/zinc/93/37/14/387933714.db2.gz QXYBVFUWICIZNX-SDDRHHMPSA-N 1 2 235.331 1.783 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000459441244 387943598 /nfs/dbraw/zinc/94/35/98/387943598.db2.gz HNGQFPFZXHAUPK-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000459441244 387943601 /nfs/dbraw/zinc/94/36/01/387943601.db2.gz HNGQFPFZXHAUPK-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)s1 ZINC000248617246 135017673 /nfs/dbraw/zinc/01/76/73/135017673.db2.gz KSONMAVBJZVJFP-VXJOIVPMSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)s1 ZINC000248617246 135017674 /nfs/dbraw/zinc/01/76/74/135017674.db2.gz KSONMAVBJZVJFP-VXJOIVPMSA-N 1 2 246.401 1.650 20 0 BDADLO COC[C@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000445848216 387974287 /nfs/dbraw/zinc/97/42/87/387974287.db2.gz IOBDAWKPNCDZHH-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000446047686 387986944 /nfs/dbraw/zinc/98/69/44/387986944.db2.gz QIDHWJWIBQEOKN-UHFFFAOYSA-N 1 2 233.227 1.135 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)o1 ZINC000446081401 387998086 /nfs/dbraw/zinc/99/80/86/387998086.db2.gz NPUAZNJEFBPZOG-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)o1 ZINC000446081401 387998089 /nfs/dbraw/zinc/99/80/89/387998089.db2.gz NPUAZNJEFBPZOG-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO CNC(=O)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000439564619 388009079 /nfs/dbraw/zinc/00/90/79/388009079.db2.gz YDTSKSHFONKPAB-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)[C@@H](C)CO1 ZINC000246249004 388024330 /nfs/dbraw/zinc/02/43/30/388024330.db2.gz LBIVGTMSNOEHSD-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)[C@@H](C)CO1 ZINC000246249004 388024333 /nfs/dbraw/zinc/02/43/33/388024333.db2.gz LBIVGTMSNOEHSD-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)NCC2CCC2)[C@@H](C)CO1 ZINC000246248992 388024597 /nfs/dbraw/zinc/02/45/97/388024597.db2.gz LBIVGTMSNOEHSD-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)NCC2CCC2)[C@@H](C)CO1 ZINC000246248992 388024599 /nfs/dbraw/zinc/02/45/99/388024599.db2.gz LBIVGTMSNOEHSD-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000156650110 388015447 /nfs/dbraw/zinc/01/54/47/388015447.db2.gz LKFPJTSVYPGLPW-DTWKUNHWSA-N 1 2 221.304 1.783 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccoc1 ZINC000439875233 388022922 /nfs/dbraw/zinc/02/29/22/388022922.db2.gz RPYHKVLTGSOJFD-LLVKDONJSA-N 1 2 247.298 1.614 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000446755602 388036838 /nfs/dbraw/zinc/03/68/38/388036838.db2.gz XCKPKWPLTJKBNR-MNOVXSKESA-N 1 2 243.347 1.731 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000446809027 388039129 /nfs/dbraw/zinc/03/91/29/388039129.db2.gz OVQQKLXZHSWTHQ-CYBMUJFWSA-N 1 2 235.331 1.840 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000446809027 388039133 /nfs/dbraw/zinc/03/91/33/388039133.db2.gz OVQQKLXZHSWTHQ-CYBMUJFWSA-N 1 2 235.331 1.840 20 0 BDADLO CC[C@@H](F)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000440522071 388051567 /nfs/dbraw/zinc/05/15/67/388051567.db2.gz DGQKQSWZYAQVSK-VHSXEESVSA-N 1 2 232.343 1.970 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000440522071 388051569 /nfs/dbraw/zinc/05/15/69/388051569.db2.gz DGQKQSWZYAQVSK-VHSXEESVSA-N 1 2 232.343 1.970 20 0 BDADLO CCC(CC)[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000163963033 388114311 /nfs/dbraw/zinc/11/43/11/388114311.db2.gz IVNAJIAEHQRRDN-LLVKDONJSA-N 1 2 211.309 1.296 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(C)cc1Cl ZINC000447269849 388059529 /nfs/dbraw/zinc/05/95/29/388059529.db2.gz GLZHHNIIWGWGRF-UHFFFAOYSA-N 1 2 240.734 1.956 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(C)cc1Cl ZINC000447269849 388059533 /nfs/dbraw/zinc/05/95/33/388059533.db2.gz GLZHHNIIWGWGRF-UHFFFAOYSA-N 1 2 240.734 1.956 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccs1 ZINC000084081551 388071006 /nfs/dbraw/zinc/07/10/06/388071006.db2.gz SIACSNIGCXCITN-UHFFFAOYSA-N 1 2 207.258 1.401 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccs1 ZINC000084081551 388071009 /nfs/dbraw/zinc/07/10/09/388071009.db2.gz SIACSNIGCXCITN-UHFFFAOYSA-N 1 2 207.258 1.401 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000440703343 388071139 /nfs/dbraw/zinc/07/11/39/388071139.db2.gz MFYHROUMZITBHP-BDAKNGLRSA-N 1 2 225.329 1.099 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000440703343 388071142 /nfs/dbraw/zinc/07/11/42/388071142.db2.gz MFYHROUMZITBHP-BDAKNGLRSA-N 1 2 225.329 1.099 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447846114 388098549 /nfs/dbraw/zinc/09/85/49/388098549.db2.gz XHAXENKIGANOTI-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447846114 388098552 /nfs/dbraw/zinc/09/85/52/388098552.db2.gz XHAXENKIGANOTI-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](NC(=O)C[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000333416738 388102577 /nfs/dbraw/zinc/10/25/77/388102577.db2.gz FFIVCJOOXINMQW-NXEZZACHSA-N 1 2 237.303 1.404 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CC)C(=O)C1(C)C ZINC000440503824 388047554 /nfs/dbraw/zinc/04/75/54/388047554.db2.gz KPRVNYHLLWAZKP-JTQLQIEISA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CC)C(=O)C1(C)C ZINC000440503824 388047558 /nfs/dbraw/zinc/04/75/58/388047558.db2.gz KPRVNYHLLWAZKP-JTQLQIEISA-N 1 2 230.327 1.677 20 0 BDADLO CC[C@H](CCO)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000447046140 388050155 /nfs/dbraw/zinc/05/01/55/388050155.db2.gz ADMXMVSFJADPEB-SNVBAGLBSA-N 1 2 248.330 1.509 20 0 BDADLO C[C@@H](Cc1ccoc1)[NH2+]CC(F)(F)CO ZINC000449254360 388163186 /nfs/dbraw/zinc/16/31/86/388163186.db2.gz XXNSGKDLQRMWPO-QMMMGPOBSA-N 1 2 219.231 1.428 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C(=O)OC ZINC000449275658 388165793 /nfs/dbraw/zinc/16/57/93/388165793.db2.gz NWHBQLVQWPYHCF-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000449283130 388167386 /nfs/dbraw/zinc/16/73/86/388167386.db2.gz KFSJKDUTPKHUQE-BDAKNGLRSA-N 1 2 211.261 1.362 20 0 BDADLO O=C(CC[C@@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000646257123 388170758 /nfs/dbraw/zinc/17/07/58/388170758.db2.gz UAGBIOWYZNUOOX-JTQLQIEISA-N 1 2 249.314 1.254 20 0 BDADLO O=C(CC[C@@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000646257123 388170760 /nfs/dbraw/zinc/17/07/60/388170760.db2.gz UAGBIOWYZNUOOX-JTQLQIEISA-N 1 2 249.314 1.254 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)[C@H]1C ZINC000646252612 388170811 /nfs/dbraw/zinc/17/08/11/388170811.db2.gz GFJFGLREXYSZJP-ZJUUUORDSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)[C@H]1C ZINC000646252612 388170813 /nfs/dbraw/zinc/17/08/13/388170813.db2.gz GFJFGLREXYSZJP-ZJUUUORDSA-N 1 2 222.336 1.873 20 0 BDADLO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCc2[nH]c[nH+]c2C1 ZINC000646259178 388171637 /nfs/dbraw/zinc/17/16/37/388171637.db2.gz KQQUJCWKGZWQBS-IWIIMEHWSA-N 1 2 245.326 1.731 20 0 BDADLO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCc2[nH+]c[nH]c2C1 ZINC000646259178 388171640 /nfs/dbraw/zinc/17/16/40/388171640.db2.gz KQQUJCWKGZWQBS-IWIIMEHWSA-N 1 2 245.326 1.731 20 0 BDADLO CC[C@@H](C)OCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260763 388171836 /nfs/dbraw/zinc/17/18/36/388171836.db2.gz GBZVCMZZPHVZBP-SECBINFHSA-N 1 2 237.303 1.110 20 0 BDADLO CC[C@@H](C)OCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260763 388171838 /nfs/dbraw/zinc/17/18/38/388171838.db2.gz GBZVCMZZPHVZBP-SECBINFHSA-N 1 2 237.303 1.110 20 0 BDADLO O=C(CC1CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259353 388172032 /nfs/dbraw/zinc/17/20/32/388172032.db2.gz XXPZDTARQNSGPQ-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO O=C(CC1CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259353 388172033 /nfs/dbraw/zinc/17/20/33/388172033.db2.gz XXPZDTARQNSGPQ-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCc2[nH]c[nH+]c2C1 ZINC000646258187 388172257 /nfs/dbraw/zinc/17/22/57/388172257.db2.gz JASHLTXPXCQIGQ-GDGBQDQQSA-N 1 2 231.299 1.341 20 0 BDADLO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCc2[nH+]c[nH]c2C1 ZINC000646258187 388172260 /nfs/dbraw/zinc/17/22/60/388172260.db2.gz JASHLTXPXCQIGQ-GDGBQDQQSA-N 1 2 231.299 1.341 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646258152 388172332 /nfs/dbraw/zinc/17/23/32/388172332.db2.gz HJGHVTSDPPRKMT-SBMIAAHKSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646258152 388172333 /nfs/dbraw/zinc/17/23/33/388172333.db2.gz HJGHVTSDPPRKMT-SBMIAAHKSA-N 1 2 249.314 1.108 20 0 BDADLO CC/C=C\CNC(=O)Cc1[nH+]c[nH]c1C ZINC000456084237 388175581 /nfs/dbraw/zinc/17/55/81/388175581.db2.gz AGWUILMHEICKIB-PLNGDYQASA-N 1 2 207.277 1.343 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1CF ZINC000449343896 388176915 /nfs/dbraw/zinc/17/69/15/388176915.db2.gz OAFXEPQZOCUUIK-SNVBAGLBSA-N 1 2 226.299 1.540 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1CF ZINC000449343896 388176917 /nfs/dbraw/zinc/17/69/17/388176917.db2.gz OAFXEPQZOCUUIK-SNVBAGLBSA-N 1 2 226.299 1.540 20 0 BDADLO CCCn1cc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000449349000 388179210 /nfs/dbraw/zinc/17/92/10/388179210.db2.gz DXFGNDOEKBDNFX-UHFFFAOYSA-N 1 2 235.331 1.656 20 0 BDADLO CCCn1cc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000449349000 388179212 /nfs/dbraw/zinc/17/92/12/388179212.db2.gz DXFGNDOEKBDNFX-UHFFFAOYSA-N 1 2 235.331 1.656 20 0 BDADLO c1[nH+]c2ccccn2c1CN(C1CC1)C1COC1 ZINC000449351539 388179362 /nfs/dbraw/zinc/17/93/62/388179362.db2.gz PALDGKIUGJZBNI-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO c1nc2ccccn2c1C[N@H+](C1CC1)C1COC1 ZINC000449351539 388179363 /nfs/dbraw/zinc/17/93/63/388179363.db2.gz PALDGKIUGJZBNI-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO c1nc2ccccn2c1C[N@@H+](C1CC1)C1COC1 ZINC000449351539 388179366 /nfs/dbraw/zinc/17/93/66/388179366.db2.gz PALDGKIUGJZBNI-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO Cc1csc(CNC(=O)Cc2[nH+]c[nH]c2C)c1 ZINC000456115952 388179557 /nfs/dbraw/zinc/17/95/57/388179557.db2.gz BUVGEGWCZKEOSU-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO CC[C@H]([NH2+]Cc1c(C)nnn1CC)C(F)F ZINC000449362931 388182591 /nfs/dbraw/zinc/18/25/91/388182591.db2.gz OGOHDKVWVPQJHB-QMMMGPOBSA-N 1 2 232.278 1.740 20 0 BDADLO C[C@H]1C[C@@H]1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000488508173 388182780 /nfs/dbraw/zinc/18/27/80/388182780.db2.gz ACVBCYCJFFSSOJ-NWDGAFQWSA-N 1 2 247.342 1.986 20 0 BDADLO CC[C@@H](NC(=O)NCCn1cc[nH+]c1)C(F)F ZINC000454622310 388125831 /nfs/dbraw/zinc/12/58/31/388125831.db2.gz RBMLVTQIDNMYDB-MRVPVSSYSA-N 1 2 246.261 1.226 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000449014068 388130061 /nfs/dbraw/zinc/13/00/61/388130061.db2.gz NXXXQQHLUQYNNC-ZJUUUORDSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000449014068 388130064 /nfs/dbraw/zinc/13/00/64/388130064.db2.gz NXXXQQHLUQYNNC-ZJUUUORDSA-N 1 2 238.335 1.216 20 0 BDADLO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000162243891 388133841 /nfs/dbraw/zinc/13/38/41/388133841.db2.gz YCURLISFCICTBV-WDEREUQCSA-N 1 2 245.363 1.713 20 0 BDADLO CC[C@H](NC(=O)Nc1cc[nH+]c(C)c1)[C@@H](C)O ZINC000455043142 388146036 /nfs/dbraw/zinc/14/60/36/388146036.db2.gz PCERWMNDAWAESA-KOLCDFICSA-N 1 2 237.303 1.093 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)CC2(CCCC2)O1 ZINC000646135094 388152072 /nfs/dbraw/zinc/15/20/72/388152072.db2.gz CLEFAVYZAYRFEU-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC2(CCCC2)O1 ZINC000646135094 388152074 /nfs/dbraw/zinc/15/20/74/388152074.db2.gz CLEFAVYZAYRFEU-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc[nH]2)CC2(CCCC2)O1 ZINC000646135317 388152493 /nfs/dbraw/zinc/15/24/93/388152493.db2.gz JGZWCZDCMPMSOT-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc[nH]2)CC2(CCCC2)O1 ZINC000646135317 388152494 /nfs/dbraw/zinc/15/24/94/388152494.db2.gz JGZWCZDCMPMSOT-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1C[N@H+](Cc2c[nH]cn2)CC2(CCCC2)O1 ZINC000646135317 388152497 /nfs/dbraw/zinc/15/24/97/388152497.db2.gz JGZWCZDCMPMSOT-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c[nH]cn2)CC2(CCCC2)O1 ZINC000646135317 388152500 /nfs/dbraw/zinc/15/25/00/388152500.db2.gz JGZWCZDCMPMSOT-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO COC[C@H](CC(C)C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449658186 388249968 /nfs/dbraw/zinc/24/99/68/388249968.db2.gz AOTOLZKAMOJYCA-RYUDHWBXSA-N 1 2 245.363 1.977 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000449667595 388251543 /nfs/dbraw/zinc/25/15/43/388251543.db2.gz RGFDTASXWNKVQI-CHWFTXMASA-N 1 2 213.321 1.961 20 0 BDADLO FC(F)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936534 388252346 /nfs/dbraw/zinc/25/23/46/388252346.db2.gz CIXASPLEEJVNDP-ZETCQYMHSA-N 1 2 226.217 1.277 20 0 BDADLO FC(F)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936534 388252347 /nfs/dbraw/zinc/25/23/47/388252347.db2.gz CIXASPLEEJVNDP-ZETCQYMHSA-N 1 2 226.217 1.277 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc[nH]1 ZINC000456371961 388197291 /nfs/dbraw/zinc/19/72/91/388197291.db2.gz FGYHADVOBWXOFS-SECBINFHSA-N 1 2 232.287 1.722 20 0 BDADLO CC[C@H](OC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456386777 388198225 /nfs/dbraw/zinc/19/82/25/388198225.db2.gz NGPZWWIABDUXAT-UWVGGRQHSA-N 1 2 239.319 1.505 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)SC ZINC000456385736 388198484 /nfs/dbraw/zinc/19/84/84/388198484.db2.gz MJUKZBUEGGVPJP-IUCAKERBSA-N 1 2 241.360 1.832 20 0 BDADLO CC[N@H+](Cc1cnn(CC(F)F)c1)C1COC1 ZINC000449423983 388202209 /nfs/dbraw/zinc/20/22/09/388202209.db2.gz ISKVRKMBMPIUQX-UHFFFAOYSA-N 1 2 245.273 1.369 20 0 BDADLO CC[N@@H+](Cc1cnn(CC(F)F)c1)C1COC1 ZINC000449423983 388202212 /nfs/dbraw/zinc/20/22/12/388202212.db2.gz ISKVRKMBMPIUQX-UHFFFAOYSA-N 1 2 245.273 1.369 20 0 BDADLO CC[N@H+](Cc1scnc1C)C1COC1 ZINC000449427296 388202918 /nfs/dbraw/zinc/20/29/18/388202918.db2.gz RLMMOKLQCXCKKR-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CC[N@@H+](Cc1scnc1C)C1COC1 ZINC000449427296 388202921 /nfs/dbraw/zinc/20/29/21/388202921.db2.gz RLMMOKLQCXCKKR-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CCc1ncc(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000456482144 388203821 /nfs/dbraw/zinc/20/38/21/388203821.db2.gz DPXQMYLEESVRRW-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO C[N@H+](Cc1nnnn1C(C)(C)C)[C@@H]1CC1(C)C ZINC000489436102 388213835 /nfs/dbraw/zinc/21/38/35/388213835.db2.gz LNJHXACGJWTFGE-SECBINFHSA-N 1 2 237.351 1.658 20 0 BDADLO C[N@@H+](Cc1nnnn1C(C)(C)C)[C@@H]1CC1(C)C ZINC000489436102 388213837 /nfs/dbraw/zinc/21/38/37/388213837.db2.gz LNJHXACGJWTFGE-SECBINFHSA-N 1 2 237.351 1.658 20 0 BDADLO Cc1nc(N2CCC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000489949421 388229068 /nfs/dbraw/zinc/22/90/68/388229068.db2.gz UPQLNEALKPAZDM-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC(C)(C)C2)[nH+]1 ZINC000489949421 388229070 /nfs/dbraw/zinc/22/90/70/388229070.db2.gz UPQLNEALKPAZDM-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO OCC[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000489978634 388230058 /nfs/dbraw/zinc/23/00/58/388230058.db2.gz GDAMIGRNSJEQLL-LLVKDONJSA-N 1 2 233.315 1.705 20 0 BDADLO CC[C@]1(C)CCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000490076160 388233474 /nfs/dbraw/zinc/23/34/74/388233474.db2.gz ZZFJCBKDGOBANV-CYBMUJFWSA-N 1 2 249.362 1.872 20 0 BDADLO CC[C@]1(C)CCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000490076160 388233476 /nfs/dbraw/zinc/23/34/76/388233476.db2.gz ZZFJCBKDGOBANV-CYBMUJFWSA-N 1 2 249.362 1.872 20 0 BDADLO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000449581190 388237782 /nfs/dbraw/zinc/23/77/82/388237782.db2.gz XXBZZZQKNQBNCI-MNOVXSKESA-N 1 2 237.303 1.231 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000449626592 388245484 /nfs/dbraw/zinc/24/54/84/388245484.db2.gz DPEXIAGFDMHGSE-BDAKNGLRSA-N 1 2 239.331 1.687 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000449626592 388245486 /nfs/dbraw/zinc/24/54/86/388245486.db2.gz DPEXIAGFDMHGSE-BDAKNGLRSA-N 1 2 239.331 1.687 20 0 BDADLO COc1cc(C[NH+]2CC(OC)C2)cc(OC)c1 ZINC000459576602 388246633 /nfs/dbraw/zinc/24/66/33/388246633.db2.gz GMZAQZWBDCOVDL-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)[nH]1 ZINC000451577330 388282812 /nfs/dbraw/zinc/28/28/12/388282812.db2.gz VQIDLISIHNHQNC-NXEZZACHSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)[nH]1 ZINC000451577330 388282813 /nfs/dbraw/zinc/28/28/13/388282813.db2.gz VQIDLISIHNHQNC-NXEZZACHSA-N 1 2 238.335 1.224 20 0 BDADLO C[C@@H](O)C[N@H+](CCCCCO)CC(F)F ZINC000451853671 388301571 /nfs/dbraw/zinc/30/15/71/388301571.db2.gz PJVVTPFQSMNCNX-SECBINFHSA-N 1 2 225.279 1.097 20 0 BDADLO C[C@@H](O)C[N@@H+](CCCCCO)CC(F)F ZINC000451853671 388301573 /nfs/dbraw/zinc/30/15/73/388301573.db2.gz PJVVTPFQSMNCNX-SECBINFHSA-N 1 2 225.279 1.097 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)NCCc1[nH]cc[nH+]1 ZINC000491971943 388330224 /nfs/dbraw/zinc/33/02/24/388330224.db2.gz IQWZQRJHLAPYNK-ARJAWSKDSA-N 1 2 230.271 1.110 20 0 BDADLO Cc1cc(NC(=O)C=Cc2ccc[nH]2)cc[nH+]1 ZINC000491988212 388330822 /nfs/dbraw/zinc/33/08/22/388330822.db2.gz FBPYDULYYHPNMX-PLNGDYQASA-N 1 2 227.267 1.792 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000451376123 388266878 /nfs/dbraw/zinc/26/68/78/388266878.db2.gz LJUGTHFTFILLPE-UHFFFAOYSA-N 1 2 247.342 1.382 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451376123 388266880 /nfs/dbraw/zinc/26/68/80/388266880.db2.gz LJUGTHFTFILLPE-UHFFFAOYSA-N 1 2 247.342 1.382 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000451376194 388267037 /nfs/dbraw/zinc/26/70/37/388267037.db2.gz LLYMEUAFILMBKA-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451376194 388267038 /nfs/dbraw/zinc/26/70/38/388267038.db2.gz LLYMEUAFILMBKA-GFCCVEGCSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)[nH]1 ZINC000451454007 388274679 /nfs/dbraw/zinc/27/46/79/388274679.db2.gz JEFWEGOATKBSHX-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)[nH]1 ZINC000451454007 388274680 /nfs/dbraw/zinc/27/46/80/388274680.db2.gz JEFWEGOATKBSHX-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO O=c1[nH]nc(C[NH2+][C@H]2CCC23CCCC3)[nH]1 ZINC000451457376 388276139 /nfs/dbraw/zinc/27/61/39/388276139.db2.gz MPMQWPQIBYEEHO-QMMMGPOBSA-N 1 2 222.292 1.323 20 0 BDADLO CCOCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492297272 388340612 /nfs/dbraw/zinc/34/06/12/388340612.db2.gz HGJDHOFGYHZFEV-WAYWQWQTSA-N 1 2 237.303 1.069 20 0 BDADLO CCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492299898 388340680 /nfs/dbraw/zinc/34/06/80/388340680.db2.gz PKHIAUSQCMWBAJ-WAYWQWQTSA-N 1 2 207.277 1.442 20 0 BDADLO CCn1cc[nH+]c1C=CC(=O)Nc1ccncc1 ZINC000492296879 388340690 /nfs/dbraw/zinc/34/06/90/388340690.db2.gz GPMCJGFKOQJHSE-ARJAWSKDSA-N 1 2 242.282 1.372 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC1CCCC1 ZINC000492324637 388341663 /nfs/dbraw/zinc/34/16/63/388341663.db2.gz YZLHXENZLMQAHE-FPLPWBNLSA-N 1 2 233.315 1.975 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC(=O)CC1 ZINC000492379793 388342779 /nfs/dbraw/zinc/34/27/79/388342779.db2.gz MBSPPOWUKLFCAY-ARJAWSKDSA-N 1 2 247.298 1.108 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(C)(OC)C1 ZINC000492388364 388343235 /nfs/dbraw/zinc/34/32/35/388343235.db2.gz CEPPGLFGDHOJFA-AATRIKPKSA-N 1 2 249.314 1.164 20 0 BDADLO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000275646330 388344963 /nfs/dbraw/zinc/34/49/63/388344963.db2.gz BMMINHHAQXASHA-JTQLQIEISA-N 1 2 227.691 1.644 20 0 BDADLO CO[C@@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000276048786 388346959 /nfs/dbraw/zinc/34/69/59/388346959.db2.gz OPIGLCQUCDPLOT-QMMMGPOBSA-N 1 2 207.277 1.801 20 0 BDADLO Cc1nc(NC[C@@H](O)C2CCC2)cc[nH+]1 ZINC000315978889 388404481 /nfs/dbraw/zinc/40/44/81/388404481.db2.gz NGGNLEYXTKBPPX-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO COC1(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000648789004 388357935 /nfs/dbraw/zinc/35/79/35/388357935.db2.gz HHDWWWHSVJCVFV-UHFFFAOYSA-N 1 2 249.314 1.179 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ccncc2F)C1 ZINC000293666672 388358055 /nfs/dbraw/zinc/35/80/55/388358055.db2.gz GDZIFLQYTTYFOE-UHFFFAOYSA-N 1 2 237.278 1.043 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2C(C)(C)O)no1 ZINC000305192361 388367013 /nfs/dbraw/zinc/36/70/13/388367013.db2.gz RVYATPWYSDFANB-VIFPVBQESA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2C(C)(C)O)no1 ZINC000305192361 388367015 /nfs/dbraw/zinc/36/70/15/388367015.db2.gz RVYATPWYSDFANB-VIFPVBQESA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000132738986 388368150 /nfs/dbraw/zinc/36/81/50/388368150.db2.gz KTDNCCCKOAIJGB-MNOVXSKESA-N 1 2 246.314 1.032 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000217375779 388371723 /nfs/dbraw/zinc/37/17/23/388371723.db2.gz HEMCUXKHWDPZLF-RKDXNWHRSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000217375779 388371724 /nfs/dbraw/zinc/37/17/24/388371724.db2.gz HEMCUXKHWDPZLF-RKDXNWHRSA-N 1 2 215.293 1.047 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC(=O)CC12CCC2 ZINC000572778662 388375698 /nfs/dbraw/zinc/37/56/98/388375698.db2.gz PRHGVXIVSRJIQG-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO Cn1nccc1C[N@H+]1CCC(=O)CC12CCC2 ZINC000572778662 388375700 /nfs/dbraw/zinc/37/57/00/388375700.db2.gz PRHGVXIVSRJIQG-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)[C@H]1CC1(C)C ZINC000572815595 388379246 /nfs/dbraw/zinc/37/92/46/388379246.db2.gz NOMVZLRDPDMBDA-JTQLQIEISA-N 1 2 237.351 1.704 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000572815595 388379249 /nfs/dbraw/zinc/37/92/49/388379249.db2.gz NOMVZLRDPDMBDA-JTQLQIEISA-N 1 2 237.351 1.704 20 0 BDADLO CO[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC000292918666 388384180 /nfs/dbraw/zinc/38/41/80/388384180.db2.gz YCSXWWRNBXUYIM-JTQLQIEISA-N 1 2 207.277 1.622 20 0 BDADLO CCC[C@@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000236930303 388386442 /nfs/dbraw/zinc/38/64/42/388386442.db2.gz CNYUZNLVVYBPBU-LLVKDONJSA-N 1 2 212.337 1.764 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000229575260 388393896 /nfs/dbraw/zinc/39/38/96/388393896.db2.gz IPXQFGPQYIULSK-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1 ZINC000229575260 388393898 /nfs/dbraw/zinc/39/38/98/388393898.db2.gz IPXQFGPQYIULSK-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO C[NH+](C)C/C=C\C(=O)Nc1ccc2nn[nH]c2c1 ZINC000492158735 388336963 /nfs/dbraw/zinc/33/69/63/388336963.db2.gz BKXAKADZRQHKKA-ARJAWSKDSA-N 1 2 245.286 1.014 20 0 BDADLO O=C1CC[N@H+](Cc2ncccc2Cl)CCN1 ZINC000528370156 388451269 /nfs/dbraw/zinc/45/12/69/388451269.db2.gz CRMYJHBYKMBIMB-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2ncccc2Cl)CCN1 ZINC000528370156 388451270 /nfs/dbraw/zinc/45/12/70/388451270.db2.gz CRMYJHBYKMBIMB-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO C[C@H]1C[N@H+](CC2(F)CC2)CC[S@@](=O)C1 ZINC000526001502 388454281 /nfs/dbraw/zinc/45/42/81/388454281.db2.gz TXFQYBPPBLONID-LKFCYVNXSA-N 1 2 219.325 1.189 20 0 BDADLO C[C@H]1C[N@@H+](CC2(F)CC2)CC[S@@](=O)C1 ZINC000526001502 388454282 /nfs/dbraw/zinc/45/42/82/388454282.db2.gz TXFQYBPPBLONID-LKFCYVNXSA-N 1 2 219.325 1.189 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H](F)C1 ZINC000516184070 388471325 /nfs/dbraw/zinc/47/13/25/388471325.db2.gz HUUQZWKYKTZQMT-VHSXEESVSA-N 1 2 239.294 1.739 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H](F)C1 ZINC000516184070 388471327 /nfs/dbraw/zinc/47/13/27/388471327.db2.gz HUUQZWKYKTZQMT-VHSXEESVSA-N 1 2 239.294 1.739 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)C[C@H](C)O1 ZINC000649270797 388481691 /nfs/dbraw/zinc/48/16/91/388481691.db2.gz YIKOUKMQLQJPJC-ILWJIGKKSA-N 1 2 249.314 1.636 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccncc2)[C@@H](C)C(=O)N1C ZINC000649267263 388477496 /nfs/dbraw/zinc/47/74/96/388477496.db2.gz HPFMBEBTPFZDHZ-UTUOFQBUSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccncc2)[C@@H](C)C(=O)N1C ZINC000649267263 388477497 /nfs/dbraw/zinc/47/74/97/388477497.db2.gz HPFMBEBTPFZDHZ-UTUOFQBUSA-N 1 2 247.342 1.521 20 0 BDADLO Cc1ccc(CCNc2cc[nH+]c(C)n2)cn1 ZINC000525192567 388419472 /nfs/dbraw/zinc/41/94/72/388419472.db2.gz JZIUYLUEIFNYMO-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO C[C@@H](CC(=O)N1CCCCO1)n1cc[nH+]c1 ZINC000573123756 388421655 /nfs/dbraw/zinc/42/16/55/388421655.db2.gz NEGCSAOFHCPVIH-JTQLQIEISA-N 1 2 223.276 1.388 20 0 BDADLO CC[N@H+](CCO)Cc1csc(Cl)n1 ZINC000297246291 388428682 /nfs/dbraw/zinc/42/86/82/388428682.db2.gz UZGUPSXWDQPTBI-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO CC[N@@H+](CCO)Cc1csc(Cl)n1 ZINC000297246291 388428685 /nfs/dbraw/zinc/42/86/85/388428685.db2.gz UZGUPSXWDQPTBI-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000336893254 388439410 /nfs/dbraw/zinc/43/94/10/388439410.db2.gz KNFXRAUCNCGTTC-UWVGGRQHSA-N 1 2 227.304 1.095 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000548519574 388545281 /nfs/dbraw/zinc/54/52/81/388545281.db2.gz WEECHIFWTLSHPY-YPMHNXCESA-N 1 2 247.342 1.754 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CCCC1 ZINC000548520030 388545917 /nfs/dbraw/zinc/54/59/17/388545917.db2.gz JCSHGJPKQSJRCD-UHFFFAOYSA-N 1 2 207.277 1.021 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000356277886 388548312 /nfs/dbraw/zinc/54/83/12/388548312.db2.gz IUPMYRPPGCBKHK-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO CC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000177417600 388482503 /nfs/dbraw/zinc/48/25/03/388482503.db2.gz XRMOIUWZCYLNTG-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000177417600 388482507 /nfs/dbraw/zinc/48/25/07/388482507.db2.gz XRMOIUWZCYLNTG-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Cn1cc(C[NH2+]Cc2coc3ccccc23)nn1 ZINC000339407893 388483140 /nfs/dbraw/zinc/48/31/40/388483140.db2.gz PSKBSGBDBFELSN-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000177502427 388485003 /nfs/dbraw/zinc/48/50/03/388485003.db2.gz AYYCKIOLAPQFAA-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000177502427 388485004 /nfs/dbraw/zinc/48/50/04/388485004.db2.gz AYYCKIOLAPQFAA-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCCCO1 ZINC000517246014 256822020 /nfs/dbraw/zinc/82/20/20/256822020.db2.gz IOZNWKOOUCKCLC-NSHDSACASA-N 1 2 221.304 1.496 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]c(C)nc2N)CC1 ZINC000648901982 388487206 /nfs/dbraw/zinc/48/72/06/388487206.db2.gz YOYKKMFTIOIMDJ-UHFFFAOYSA-N 1 2 234.303 1.004 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C(C)C)no2)C[C@H]1O ZINC000341004781 388493641 /nfs/dbraw/zinc/49/36/41/388493641.db2.gz CMFAXXORUTZYKH-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C(C)C)no2)C[C@H]1O ZINC000341004781 388493643 /nfs/dbraw/zinc/49/36/43/388493643.db2.gz CMFAXXORUTZYKH-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cn2)[C@@H]1OC ZINC000547941012 388496492 /nfs/dbraw/zinc/49/64/92/388496492.db2.gz HRGATPZAQACSMN-UMNHJUIQSA-N 1 2 237.303 1.389 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548626219 388548972 /nfs/dbraw/zinc/54/89/72/388548972.db2.gz LVFIQDBWJWQSGV-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000548626219 388548976 /nfs/dbraw/zinc/54/89/76/388548976.db2.gz LVFIQDBWJWQSGV-VIFPVBQESA-N 1 2 237.303 1.150 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135658504 388504295 /nfs/dbraw/zinc/50/42/95/388504295.db2.gz BFDLERNIAIHLKX-GFCCVEGCSA-N 1 2 228.336 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135658504 388504297 /nfs/dbraw/zinc/50/42/97/388504297.db2.gz BFDLERNIAIHLKX-GFCCVEGCSA-N 1 2 228.336 1.014 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548096937 388510988 /nfs/dbraw/zinc/51/09/88/388510988.db2.gz XAJQHYNVWKZKHO-PHIMTYICSA-N 1 2 222.336 1.917 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548096937 388510991 /nfs/dbraw/zinc/51/09/91/388510991.db2.gz XAJQHYNVWKZKHO-PHIMTYICSA-N 1 2 222.336 1.917 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cnn(C)c1 ZINC000345346716 388512080 /nfs/dbraw/zinc/51/20/80/388512080.db2.gz CTUJTRLMSYMSNE-NHCYSSNCSA-N 1 2 245.330 1.973 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CCC1 ZINC000516646214 388512551 /nfs/dbraw/zinc/51/25/51/388512551.db2.gz JARYITWGPHOIBS-WDEREUQCSA-N 1 2 219.288 1.188 20 0 BDADLO CC[N@@H+](Cc1ccoc1)C[C@@H](C)S(C)(=O)=O ZINC000649280535 388513005 /nfs/dbraw/zinc/51/30/05/388513005.db2.gz LMBHJSIPGAWJPQ-SNVBAGLBSA-N 1 2 245.344 1.535 20 0 BDADLO CC[N@H+](Cc1ccoc1)C[C@@H](C)S(C)(=O)=O ZINC000649280535 388513006 /nfs/dbraw/zinc/51/30/06/388513006.db2.gz LMBHJSIPGAWJPQ-SNVBAGLBSA-N 1 2 245.344 1.535 20 0 BDADLO O=C(Cc1ccoc1)NCCCCn1cc[nH+]c1 ZINC000548121380 388514382 /nfs/dbraw/zinc/51/43/82/388514382.db2.gz LIKKASUTPUSIDA-UHFFFAOYSA-N 1 2 247.298 1.615 20 0 BDADLO CS[C@@H](CO)[C@H](C)Nc1nc(C)[nH+]cc1C ZINC000516820648 388518787 /nfs/dbraw/zinc/51/87/87/388518787.db2.gz QONSCWMZZSEFMU-WPRPVWTQSA-N 1 2 241.360 1.040 20 0 BDADLO C/C(Cl)=C\CN(C)Cc1[nH+]ccn1C ZINC000528426162 388523978 /nfs/dbraw/zinc/52/39/78/388523978.db2.gz QMLUWMGQJYXXSU-RUDMXATFSA-N 1 2 213.712 1.995 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000548301494 388526738 /nfs/dbraw/zinc/52/67/38/388526738.db2.gz XTVNBISWHXWDNI-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000548301494 388526739 /nfs/dbraw/zinc/52/67/39/388526739.db2.gz XTVNBISWHXWDNI-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079255795 388528409 /nfs/dbraw/zinc/52/84/09/388528409.db2.gz JUEMMJRQSTYCIL-UHFFFAOYSA-N 1 2 233.315 1.708 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)C1CC1 ZINC000136296463 388529433 /nfs/dbraw/zinc/52/94/33/388529433.db2.gz XRAISOXOOFNZEW-VQCYPWCPSA-N 1 2 233.315 1.831 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528467704 388530927 /nfs/dbraw/zinc/53/09/27/388530927.db2.gz YRCDEOAKBONWOT-NOHGZBONSA-N 1 2 248.326 1.810 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000528485180 388533512 /nfs/dbraw/zinc/53/35/12/388533512.db2.gz ANCZRBQYMFLRIV-IPQKIJNHSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000528485180 388533515 /nfs/dbraw/zinc/53/35/15/388533515.db2.gz ANCZRBQYMFLRIV-IPQKIJNHSA-N 1 2 237.752 1.248 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351810928 388534277 /nfs/dbraw/zinc/53/42/77/388534277.db2.gz OHCRZNCSOQADPC-BDAKNGLRSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351810928 388534280 /nfs/dbraw/zinc/53/42/80/388534280.db2.gz OHCRZNCSOQADPC-BDAKNGLRSA-N 1 2 225.292 1.006 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCOCC12CC2 ZINC000528485977 388534284 /nfs/dbraw/zinc/53/42/84/388534284.db2.gz AHVAVJIXFWODPB-MBXJOHMKSA-N 1 2 201.697 1.994 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCOCC12CC2 ZINC000528485977 388534286 /nfs/dbraw/zinc/53/42/86/388534286.db2.gz AHVAVJIXFWODPB-MBXJOHMKSA-N 1 2 201.697 1.994 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1C=C[C@H](CO)C1 ZINC000517060528 388536172 /nfs/dbraw/zinc/53/61/72/388536172.db2.gz NAEJNHVKWQJXLG-WDEREUQCSA-N 1 2 219.288 1.442 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2C(N)=O)sc1C ZINC000081671205 388589130 /nfs/dbraw/zinc/58/91/30/388589130.db2.gz MIVFWIYCIWDXDX-VIFPVBQESA-N 1 2 239.344 1.210 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2C(N)=O)sc1C ZINC000081671205 388589132 /nfs/dbraw/zinc/58/91/32/388589132.db2.gz MIVFWIYCIWDXDX-VIFPVBQESA-N 1 2 239.344 1.210 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC2(C1)CCCO2 ZINC000529834679 388591317 /nfs/dbraw/zinc/59/13/17/388591317.db2.gz HQVBHLSQBCXXKI-UHFFFAOYSA-N 1 2 249.314 1.055 20 0 BDADLO Cc1ccc(O)cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000529922849 388597716 /nfs/dbraw/zinc/59/77/16/388597716.db2.gz REWVEBAMDSYVON-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO CC1(C)C[N@H+](Cc2cnns2)C(C)(C)CO1 ZINC000649313641 388601405 /nfs/dbraw/zinc/60/14/05/388601405.db2.gz ITZIJNVREGBYRA-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnns2)C(C)(C)CO1 ZINC000649313641 388601407 /nfs/dbraw/zinc/60/14/07/388601407.db2.gz ITZIJNVREGBYRA-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO C[C@H]1CC(F)(F)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000530009237 388603789 /nfs/dbraw/zinc/60/37/89/388603789.db2.gz JHGXNNIRTXHYPC-QMMMGPOBSA-N 1 2 243.257 1.598 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000649315575 388604862 /nfs/dbraw/zinc/60/48/62/388604862.db2.gz DJZWQFBFDQBXGJ-QWRGUYRKSA-N 1 2 225.288 1.424 20 0 BDADLO C[C@H](O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000649315575 388604865 /nfs/dbraw/zinc/60/48/65/388604865.db2.gz DJZWQFBFDQBXGJ-QWRGUYRKSA-N 1 2 225.288 1.424 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)no1 ZINC000187436132 388608872 /nfs/dbraw/zinc/60/88/72/388608872.db2.gz WYIMPVHGSCQODU-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)no1 ZINC000187436132 388608876 /nfs/dbraw/zinc/60/88/76/388608876.db2.gz WYIMPVHGSCQODU-GZMMTYOYSA-N 1 2 237.303 1.069 20 0 BDADLO CC[C@H](CC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC000520903395 388558062 /nfs/dbraw/zinc/55/80/62/388558062.db2.gz RKAXDWXMAUKWQY-MRVPVSSYSA-N 1 2 249.236 1.730 20 0 BDADLO CCOC[C@@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000528723637 388561691 /nfs/dbraw/zinc/56/16/91/388561691.db2.gz JWEFZALXLRUNCB-XOULXFPDSA-N 1 2 219.712 1.476 20 0 BDADLO CCOC[C@@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000528723637 388561693 /nfs/dbraw/zinc/56/16/93/388561693.db2.gz JWEFZALXLRUNCB-XOULXFPDSA-N 1 2 219.712 1.476 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+][C@@H](CC)C(=O)OC)OC ZINC000362974967 388561775 /nfs/dbraw/zinc/56/17/75/388561775.db2.gz COGYLIAFYIUKMN-GARJFASQSA-N 1 2 231.336 1.589 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@H](C3CC3)C2)c1Cl ZINC000365051158 388564028 /nfs/dbraw/zinc/56/40/28/388564028.db2.gz GDABTCMYYHJHEM-QMMMGPOBSA-N 1 2 238.722 1.949 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@H](C3CC3)C2)c1Cl ZINC000365051158 388564030 /nfs/dbraw/zinc/56/40/30/388564030.db2.gz GDABTCMYYHJHEM-QMMMGPOBSA-N 1 2 238.722 1.949 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000290227558 388564726 /nfs/dbraw/zinc/56/47/26/388564726.db2.gz XYEYQMFSDWETQC-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO c1nc(C2CC2)nc2c1C[N@@H+]([C@H]1CCOC1)CC2 ZINC000528740113 388565055 /nfs/dbraw/zinc/56/50/55/388565055.db2.gz PDEWRPYCRNYCAK-LBPRGKRZSA-N 1 2 245.326 1.501 20 0 BDADLO c1nc(C2CC2)nc2c1C[N@H+]([C@H]1CCOC1)CC2 ZINC000528740113 388565057 /nfs/dbraw/zinc/56/50/57/388565057.db2.gz PDEWRPYCRNYCAK-LBPRGKRZSA-N 1 2 245.326 1.501 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000549077179 388572952 /nfs/dbraw/zinc/57/29/52/388572952.db2.gz DOMJPACBRGEBPP-QMMMGPOBSA-N 1 2 229.230 1.290 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000549077179 388572953 /nfs/dbraw/zinc/57/29/53/388572953.db2.gz DOMJPACBRGEBPP-QMMMGPOBSA-N 1 2 229.230 1.290 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)CCO1 ZINC000245471450 388582689 /nfs/dbraw/zinc/58/26/89/388582689.db2.gz NZBKEZDPJKUDOU-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)CCO1 ZINC000245471450 388582690 /nfs/dbraw/zinc/58/26/90/388582690.db2.gz NZBKEZDPJKUDOU-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000192804137 388685951 /nfs/dbraw/zinc/68/59/51/388685951.db2.gz DCWOEQPEBVKZSK-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1noc(C)c1C[NH+]1CCN(C2CC2)CC1 ZINC000126026370 388686093 /nfs/dbraw/zinc/68/60/93/388686093.db2.gz ZFRYLUFWULXXNS-UHFFFAOYSA-N 1 2 235.331 1.571 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)o1 ZINC000552183930 388677221 /nfs/dbraw/zinc/67/72/21/388677221.db2.gz KYQWLYXIBXQVKF-UHFFFAOYSA-N 1 2 246.270 1.029 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnc2ccccn12 ZINC000139207956 388631376 /nfs/dbraw/zinc/63/13/76/388631376.db2.gz HBNZLGFJRGZREE-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnc2ccccn12 ZINC000139207956 388631379 /nfs/dbraw/zinc/63/13/79/388631379.db2.gz HBNZLGFJRGZREE-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@H+](CCOCC(F)F)[C@H]1C ZINC000189564659 388638642 /nfs/dbraw/zinc/63/86/42/388638642.db2.gz BQSTZNLKOOODEI-DTWKUNHWSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@H]1OCC[N@@H+](CCOCC(F)F)[C@H]1C ZINC000189564659 388638643 /nfs/dbraw/zinc/63/86/43/388638643.db2.gz BQSTZNLKOOODEI-DTWKUNHWSA-N 1 2 223.263 1.377 20 0 BDADLO CCN(CCOC)c1nc(N)c2ccccc2[nH+]1 ZINC000551893038 388645540 /nfs/dbraw/zinc/64/55/40/388645540.db2.gz VQFRFQAXEAFOQY-UHFFFAOYSA-N 1 2 246.314 1.515 20 0 BDADLO COCCc1nc(C[N@H+](C)[C@@H](C)C2CC2)no1 ZINC000564384488 388649687 /nfs/dbraw/zinc/64/96/87/388649687.db2.gz SRKOSMBQPSRDOR-VIFPVBQESA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@@H+](C)[C@@H](C)C2CC2)no1 ZINC000564384488 388649691 /nfs/dbraw/zinc/64/96/91/388649691.db2.gz SRKOSMBQPSRDOR-VIFPVBQESA-N 1 2 239.319 1.489 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000123893674 388659162 /nfs/dbraw/zinc/65/91/62/388659162.db2.gz JDIZMVDKLWENIC-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000123893674 388659164 /nfs/dbraw/zinc/65/91/64/388659164.db2.gz JDIZMVDKLWENIC-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000192804137 388685947 /nfs/dbraw/zinc/68/59/47/388685947.db2.gz DCWOEQPEBVKZSK-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCO[C@H](CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258172 388738112 /nfs/dbraw/zinc/73/81/12/388738112.db2.gz ARMCIIVDQDLDAW-LLVKDONJSA-N 1 2 237.303 1.082 20 0 BDADLO CCC(CC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000552857616 388738318 /nfs/dbraw/zinc/73/83/18/388738318.db2.gz WVDIVOLGQFAUKF-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1ccnc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000552854608 388738965 /nfs/dbraw/zinc/73/89/65/388738965.db2.gz WDNPVUPEZXECJH-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO CCCCCOCC(=O)NCCn1cc[nH+]c1 ZINC000194740992 388741889 /nfs/dbraw/zinc/74/18/89/388741889.db2.gz TWKHECMVNSZFCX-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccc(=O)[nH]c1 ZINC000194735819 388742672 /nfs/dbraw/zinc/74/26/72/388742672.db2.gz WPSYMGPXRXYRKA-UHFFFAOYSA-N 1 2 245.238 1.443 20 0 BDADLO Cc1ocnc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000194801028 388743175 /nfs/dbraw/zinc/74/31/75/388743175.db2.gz DCMKWSJXNTXPBT-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO COCCOCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000067915666 388744033 /nfs/dbraw/zinc/74/40/33/388744033.db2.gz YIIVBSAVGGBOIC-UHFFFAOYSA-N 1 2 238.287 1.382 20 0 BDADLO COc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1F ZINC000090599783 388749565 /nfs/dbraw/zinc/74/95/65/388749565.db2.gz KGVDWERLGAMJSX-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO Cc1cc(C)c(NC(=O)Cn2cccn2)c(C)[nH+]1 ZINC000193183214 388695309 /nfs/dbraw/zinc/69/53/09/388695309.db2.gz LSAVITPDSQVJNL-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO CCc1cc(C(=O)Nc2cc[nH+]c(C)c2)n[nH]1 ZINC000126782481 388703157 /nfs/dbraw/zinc/70/31/57/388703157.db2.gz DPKPRQFLJYXAQU-UHFFFAOYSA-N 1 2 230.271 1.928 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCSC ZINC000193400398 388703259 /nfs/dbraw/zinc/70/32/59/388703259.db2.gz IDCOTQAILRBMAP-UHFFFAOYSA-N 1 2 214.338 1.093 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCSC ZINC000193400398 388703262 /nfs/dbraw/zinc/70/32/62/388703262.db2.gz IDCOTQAILRBMAP-UHFFFAOYSA-N 1 2 214.338 1.093 20 0 BDADLO CC[C@@H](CSC)[N@H+](C)Cc1ncnn1CC ZINC000193470555 388706716 /nfs/dbraw/zinc/70/67/16/388706716.db2.gz LEQNCGXNHPDDHO-JTQLQIEISA-N 1 2 242.392 1.871 20 0 BDADLO CC[C@@H](CSC)[N@@H+](C)Cc1ncnn1CC ZINC000193470555 388706719 /nfs/dbraw/zinc/70/67/19/388706719.db2.gz LEQNCGXNHPDDHO-JTQLQIEISA-N 1 2 242.392 1.871 20 0 BDADLO Nc1ccc(NC(=O)CC2CCC2)c[nH+]1 ZINC000226242912 388712997 /nfs/dbraw/zinc/71/29/97/388712997.db2.gz NDQHKEXOTDJVOT-UHFFFAOYSA-N 1 2 205.261 1.793 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)no1 ZINC000249572437 388728237 /nfs/dbraw/zinc/72/82/37/388728237.db2.gz OQTGMAHCPVDWLC-BXKDBHETSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)no1 ZINC000249572437 388728239 /nfs/dbraw/zinc/72/82/39/388728239.db2.gz OQTGMAHCPVDWLC-BXKDBHETSA-N 1 2 239.319 1.361 20 0 BDADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000127727766 388730456 /nfs/dbraw/zinc/73/04/56/388730456.db2.gz RKWJYGXKOPOZCI-SCZZXKLOSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000127727766 388730458 /nfs/dbraw/zinc/73/04/58/388730458.db2.gz RKWJYGXKOPOZCI-SCZZXKLOSA-N 1 2 227.333 1.273 20 0 BDADLO Cc1cccc(CN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC000554194258 388802584 /nfs/dbraw/zinc/80/25/84/388802584.db2.gz HNAXRKXMELZZKB-UHFFFAOYSA-N 1 2 243.310 1.850 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CC(=O)N1 ZINC000648751826 388806402 /nfs/dbraw/zinc/80/64/02/388806402.db2.gz QRDCHHCDNLFEAQ-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CC(=O)N1 ZINC000648751826 388806405 /nfs/dbraw/zinc/80/64/05/388806405.db2.gz QRDCHHCDNLFEAQ-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC1)C1CC1 ZINC000554269177 388806554 /nfs/dbraw/zinc/80/65/54/388806554.db2.gz ZGPDQODDDKXQLH-JTQLQIEISA-N 1 2 234.303 1.287 20 0 BDADLO COC[C@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000068891388 388811697 /nfs/dbraw/zinc/81/16/97/388811697.db2.gz PDDYDNSKAWZQPF-SNVBAGLBSA-N 1 2 220.272 1.352 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCCS1)C1CC1 ZINC000230059401 388811962 /nfs/dbraw/zinc/81/19/62/388811962.db2.gz IIYMYKDZXIWRAL-WDEREUQCSA-N 1 2 243.372 1.813 20 0 BDADLO CN(CC(F)(F)F)C(=O)C[NH+]1CC(C)(C)C1 ZINC000553313373 388762363 /nfs/dbraw/zinc/76/23/63/388762363.db2.gz JBCRGIRSHBATRV-UHFFFAOYSA-N 1 2 238.253 1.349 20 0 BDADLO CC(C)[N@H+](C)CC(=O)N=c1cc2ccccn2[nH]1 ZINC000553330450 388763796 /nfs/dbraw/zinc/76/37/96/388763796.db2.gz CFMLRMHMXNHLJT-UHFFFAOYSA-N 1 2 246.314 1.035 20 0 BDADLO CC(C)[N@@H+](C)CC(=O)N=c1cc2ccccn2[nH]1 ZINC000553330450 388763801 /nfs/dbraw/zinc/76/38/01/388763801.db2.gz CFMLRMHMXNHLJT-UHFFFAOYSA-N 1 2 246.314 1.035 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1=CCCOC1 ZINC000564226005 388790882 /nfs/dbraw/zinc/79/08/82/388790882.db2.gz OFBLYWWHYSWOHG-UHFFFAOYSA-N 1 2 219.288 1.274 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000230155552 388817671 /nfs/dbraw/zinc/81/76/71/388817671.db2.gz PAEVHPKULVLVIX-KOLCDFICSA-N 1 2 209.293 1.375 20 0 BDADLO Cc1cc(-n2cc[nH+]c2)nc(C2CC2)n1 ZINC000265362223 177697053 /nfs/dbraw/zinc/69/70/53/177697053.db2.gz MLOHPVQWFWBAPG-UHFFFAOYSA-N 1 2 200.245 1.848 20 0 BDADLO CCCC[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000554567387 388822148 /nfs/dbraw/zinc/82/21/48/388822148.db2.gz NAZKLWBCNWKVTB-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)Cc1ccccc1 ZINC000129229869 388825513 /nfs/dbraw/zinc/82/55/13/388825513.db2.gz FAROCJNNYRPQSZ-INIZCTEOSA-N 1 2 234.324 1.869 20 0 BDADLO C(C[N@@H+]1CCOCC12CC2)OC[C@@H]1CCCO1 ZINC000555066207 388838701 /nfs/dbraw/zinc/83/87/01/388838701.db2.gz QNNCIDOTABMTPL-LBPRGKRZSA-N 1 2 241.331 1.047 20 0 BDADLO C(C[N@H+]1CCOCC12CC2)OC[C@@H]1CCCO1 ZINC000555066207 388838705 /nfs/dbraw/zinc/83/87/05/388838705.db2.gz QNNCIDOTABMTPL-LBPRGKRZSA-N 1 2 241.331 1.047 20 0 BDADLO CC(C)N(CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC000523719209 388857741 /nfs/dbraw/zinc/85/77/41/388857741.db2.gz UGVYMMGPODJVGC-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000541845794 388869607 /nfs/dbraw/zinc/86/96/07/388869607.db2.gz RFXCEEPBTIULGJ-CYBMUJFWSA-N 1 2 239.315 1.629 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000541845794 388869609 /nfs/dbraw/zinc/86/96/09/388869609.db2.gz RFXCEEPBTIULGJ-CYBMUJFWSA-N 1 2 239.315 1.629 20 0 BDADLO COC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000648765355 388845970 /nfs/dbraw/zinc/84/59/70/388845970.db2.gz DRENZPJTPBTMJG-JTQLQIEISA-N 1 2 249.314 1.295 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@]12C[C@@H]1CCC2 ZINC000564817788 388890325 /nfs/dbraw/zinc/89/03/25/388890325.db2.gz OBSPBTLBLSXMSO-UFBFGSQYSA-N 1 2 218.256 1.338 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@H]1CC12CC2 ZINC000564430464 388876126 /nfs/dbraw/zinc/87/61/26/388876126.db2.gz MOFKOILOVCGDQN-SNVBAGLBSA-N 1 2 248.330 1.502 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000564531378 388876907 /nfs/dbraw/zinc/87/69/07/388876907.db2.gz JKMWRCPMMPPMQQ-YPMHNXCESA-N 1 2 249.358 1.905 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(CO)CC1 ZINC000564507472 388878085 /nfs/dbraw/zinc/87/80/85/388878085.db2.gz WIYJELWQHDCQCH-UHFFFAOYSA-N 1 2 221.304 1.302 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000565048902 388910927 /nfs/dbraw/zinc/91/09/27/388910927.db2.gz WKGCFMQSUPXNMU-MNOVXSKESA-N 1 2 243.347 1.469 20 0 BDADLO Cc1nc(N2CCC(=O)[C@@H](C)C2)cc[nH+]1 ZINC000276238108 132206373 /nfs/dbraw/zinc/20/63/73/132206373.db2.gz ZSTYHGXOBFZJII-QMMMGPOBSA-N 1 2 205.261 1.200 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C1CC1)C1CC1 ZINC000565168684 388920334 /nfs/dbraw/zinc/92/03/34/388920334.db2.gz AQLRMFJJXGBFTI-VIFPVBQESA-N 1 2 247.342 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C1CC1)C1CC1 ZINC000565168684 388920340 /nfs/dbraw/zinc/92/03/40/388920340.db2.gz AQLRMFJJXGBFTI-VIFPVBQESA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000565191362 388925049 /nfs/dbraw/zinc/92/50/49/388925049.db2.gz VTJZJALECADPJQ-JLLWLGSASA-N 1 2 247.342 1.703 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000565191362 388925050 /nfs/dbraw/zinc/92/50/50/388925050.db2.gz VTJZJALECADPJQ-JLLWLGSASA-N 1 2 247.342 1.703 20 0 BDADLO COC[C@H](C)CNc1nc(C)[nH+]cc1C ZINC000565222790 388928682 /nfs/dbraw/zinc/92/86/82/388928682.db2.gz QSSONICQRRQXOC-MRVPVSSYSA-N 1 2 209.293 1.210 20 0 BDADLO CC[C@](C)(CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565307313 388937494 /nfs/dbraw/zinc/93/74/94/388937494.db2.gz IVTLJGWDINNWAN-CMPLNLGQSA-N 1 2 239.319 1.111 20 0 BDADLO CC(C)n1ccc(=NC(=O)CCc2c[nH+]c[nH]2)[nH]1 ZINC000565558353 388953545 /nfs/dbraw/zinc/95/35/45/388953545.db2.gz DNRYBZVDDVZVLK-UHFFFAOYSA-N 1 2 247.302 1.180 20 0 BDADLO CC(C)n1ccc(=NC(=O)CCc2c[nH]c[nH+]2)[nH]1 ZINC000565558353 388953551 /nfs/dbraw/zinc/95/35/51/388953551.db2.gz DNRYBZVDDVZVLK-UHFFFAOYSA-N 1 2 247.302 1.180 20 0 BDADLO C[C@@]1(CO)CCCN(c2cccc[nH+]2)C1 ZINC000132796342 132237118 /nfs/dbraw/zinc/23/71/18/132237118.db2.gz IFMFGUNHKFIXEY-GFCCVEGCSA-N 1 2 206.289 1.680 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(F)(F)F ZINC000565549952 388954660 /nfs/dbraw/zinc/95/46/60/388954660.db2.gz QDQJXPGDOAODEF-SSDOTTSWSA-N 1 2 249.236 1.609 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(F)(F)F ZINC000565549952 388954664 /nfs/dbraw/zinc/95/46/64/388954664.db2.gz QDQJXPGDOAODEF-SSDOTTSWSA-N 1 2 249.236 1.609 20 0 BDADLO C[C@@H](O)CCNc1cc[nH+]c2ccncc12 ZINC000267928003 389002323 /nfs/dbraw/zinc/00/23/23/389002323.db2.gz DWXZZGMSHVTGKP-SECBINFHSA-N 1 2 217.272 1.813 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000566048119 388984635 /nfs/dbraw/zinc/98/46/35/388984635.db2.gz FESMTRQVDBNZMB-RYUDHWBXSA-N 1 2 248.330 1.054 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000566048119 388984637 /nfs/dbraw/zinc/98/46/37/388984637.db2.gz FESMTRQVDBNZMB-RYUDHWBXSA-N 1 2 248.330 1.054 20 0 BDADLO C[C@@H](O)C[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000265818084 388993778 /nfs/dbraw/zinc/99/37/78/388993778.db2.gz HGOASSSAVYSEPW-DTWKUNHWSA-N 1 2 249.318 1.182 20 0 BDADLO COC(=O)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000266133808 388994130 /nfs/dbraw/zinc/99/41/30/388994130.db2.gz DSAWJBCUVKDZOH-SSDOTTSWSA-N 1 2 209.249 1.149 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCc1ccco1 ZINC000266982435 388997741 /nfs/dbraw/zinc/99/77/41/388997741.db2.gz QLEYDQRZYWWAQL-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CC[C@H](SC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000533471699 322820957 /nfs/dbraw/zinc/82/09/57/322820957.db2.gz MMRZOTBQCWKUDS-JTQLQIEISA-N 1 2 239.344 1.408 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)C1CC1 ZINC000493712581 533351828 /nfs/dbraw/zinc/35/18/28/533351828.db2.gz VUVZRNDFKHPSDH-NQBHXWOUSA-N 1 2 241.331 1.079 20 0 BDADLO C[C@@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H]1CO ZINC000493189738 533636623 /nfs/dbraw/zinc/63/66/23/533636623.db2.gz MWEFATTXIXODAI-ZJRFNNFUSA-N 1 2 249.314 1.042 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCCC(C)(C)C1 ZINC000264911103 132180829 /nfs/dbraw/zinc/18/08/29/132180829.db2.gz NVXMWZMBIAFHON-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO Cc1nc(N2CCC(C(=O)N(C)C)CC2)cc[nH+]1 ZINC000266180826 132184511 /nfs/dbraw/zinc/18/45/11/132184511.db2.gz VCXRTBOHIPCWNS-UHFFFAOYSA-N 1 2 248.330 1.090 20 0 BDADLO Cc1nc(N2C[C@H](C)OC[C@@H]2C)cc[nH+]1 ZINC000266194717 132185520 /nfs/dbraw/zinc/18/55/20/132185520.db2.gz CEWSDKJEIYKGRO-IUCAKERBSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1nc(N2CCC(C3OCCO3)CC2)cc[nH+]1 ZINC000266468885 132187122 /nfs/dbraw/zinc/18/71/22/132187122.db2.gz ZSZMYLCKMIVNSN-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO c1cc2[nH+]ccc(N3CCOCC3)c2cn1 ZINC000267263249 132188900 /nfs/dbraw/zinc/18/89/00/132188900.db2.gz XHZHIBMPTMCDOC-UHFFFAOYSA-N 1 2 215.256 1.466 20 0 BDADLO CC[C@]1(C)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000275996795 132205563 /nfs/dbraw/zinc/20/55/63/132205563.db2.gz GIFZQTXMQXWUBX-GFCCVEGCSA-N 1 2 221.304 1.790 20 0 BDADLO COC[C@@H]1CN(c2cccc[nH+]2)C[C@@H](C)O1 ZINC000276121978 132206464 /nfs/dbraw/zinc/20/64/64/132206464.db2.gz YXSDMXHNZQAUIZ-MNOVXSKESA-N 1 2 222.288 1.322 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000277000408 132207010 /nfs/dbraw/zinc/20/70/10/132207010.db2.gz WYRBURARRPJMNB-MWLCHTKSSA-N 1 2 249.314 1.420 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@@]3(CCOC3)C2)cc[nH+]1 ZINC000280356758 132210260 /nfs/dbraw/zinc/21/02/60/132210260.db2.gz XDJWVMULMUVPLL-GWCFXTLKSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N2CCO[C@]3(CCO[C@H]3C)C2)cc[nH+]1 ZINC000280588293 132210593 /nfs/dbraw/zinc/21/05/93/132210593.db2.gz WRCRTWMDKXJOSO-GXFFZTMASA-N 1 2 249.314 1.169 20 0 BDADLO CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000299103328 132222723 /nfs/dbraw/zinc/22/27/23/132222723.db2.gz ZQBLUSIXOGDNPH-JTQLQIEISA-N 1 2 219.288 1.044 20 0 BDADLO Cc1cc(N2CCNC(=O)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000340732825 132225107 /nfs/dbraw/zinc/22/51/07/132225107.db2.gz BEOUZLRJKFFXGQ-JTQLQIEISA-N 1 2 248.330 1.233 20 0 BDADLO Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc[nH+]1 ZINC000072381853 132232179 /nfs/dbraw/zinc/23/21/79/132232179.db2.gz ROYMASPBXAMEKW-LLVKDONJSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1cc(N2CCC[C@](C)(CO)C2)nc[nH+]1 ZINC000132623590 132236801 /nfs/dbraw/zinc/23/68/01/132236801.db2.gz RIVUPPUQKXFWKV-LBPRGKRZSA-N 1 2 221.304 1.384 20 0 BDADLO CO[C@@H]1CCN(c2cccc[nH+]2)C[C@@H]1C ZINC000336271510 132245983 /nfs/dbraw/zinc/24/59/83/132245983.db2.gz WVPHIXAGJKCBJI-WDEREUQCSA-N 1 2 206.289 1.943 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H](C)S1=O ZINC000336463945 132247888 /nfs/dbraw/zinc/24/78/88/132247888.db2.gz TXPJQQZIHFRFHB-NXEZZACHSA-N 1 2 224.329 1.427 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000357205407 132272753 /nfs/dbraw/zinc/27/27/53/132272753.db2.gz SSHHGXZIRYKZEM-IINYFYTJSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000359225648 132275957 /nfs/dbraw/zinc/27/59/57/132275957.db2.gz FVBYQVOTTCOSJJ-NXEZZACHSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000359225648 132275959 /nfs/dbraw/zinc/27/59/59/132275959.db2.gz FVBYQVOTTCOSJJ-NXEZZACHSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000359225655 132276004 /nfs/dbraw/zinc/27/60/04/132276004.db2.gz FXOTVMBYRIPLFB-VIFPVBQESA-N 1 2 235.335 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H](C)C2)[nH+]1 ZINC000359225655 132276006 /nfs/dbraw/zinc/27/60/06/132276006.db2.gz FXOTVMBYRIPLFB-VIFPVBQESA-N 1 2 235.335 1.482 20 0 BDADLO C[C@@H]1CN(c2cccc(-n3cc[nH+]c3)n2)CCO1 ZINC000370613267 132285067 /nfs/dbraw/zinc/28/50/67/132285067.db2.gz YFAPYRUQRAPBKG-LLVKDONJSA-N 1 2 244.298 1.492 20 0 BDADLO Cc1cn2c(n1)CN(c1cccc[nH+]1)CC2 ZINC000371706858 132285259 /nfs/dbraw/zinc/28/52/59/132285259.db2.gz LQVCFJUGOVFAAZ-UHFFFAOYSA-N 1 2 214.272 1.607 20 0 BDADLO CC[C@H]1CN(c2cccc[nH+]2)C[C@@]2(CCOC2)O1 ZINC000373650037 132286474 /nfs/dbraw/zinc/28/64/74/132286474.db2.gz XBQQAYNRWMRDOL-GXTWGEPZSA-N 1 2 248.326 1.856 20 0 BDADLO CC1=CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000230888951 132291897 /nfs/dbraw/zinc/29/18/97/132291897.db2.gz LQGQRVXPCTUTNZ-UHFFFAOYSA-N 1 2 224.695 1.869 20 0 BDADLO CC1=CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000230888951 132291896 /nfs/dbraw/zinc/29/18/96/132291896.db2.gz LQGQRVXPCTUTNZ-UHFFFAOYSA-N 1 2 224.695 1.869 20 0 BDADLO Cc1nc(N2CCC(CCCO)CC2)cc[nH+]1 ZINC000272882818 132305844 /nfs/dbraw/zinc/30/58/44/132305844.db2.gz HHSUOPIOQFBOSL-UHFFFAOYSA-N 1 2 235.331 1.774 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2C[C@H](C)O)cc[nH+]1 ZINC000279454782 132307084 /nfs/dbraw/zinc/30/70/84/132307084.db2.gz MGZRWGWIFVIBGC-CMPLNLGQSA-N 1 2 235.331 1.915 20 0 BDADLO CCO[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000042424489 132351741 /nfs/dbraw/zinc/35/17/41/132351741.db2.gz JWPUGHOTBUWGLD-LBPRGKRZSA-N 1 2 236.315 1.579 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345690949 133785323 /nfs/dbraw/zinc/78/53/23/133785323.db2.gz CGTNYDQFVHTMKA-VHSXEESVSA-N 1 2 248.317 1.878 20 0 BDADLO CCN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335929653 134009904 /nfs/dbraw/zinc/00/99/04/134009904.db2.gz HEQFVXUHJMCSOE-QMMMGPOBSA-N 1 2 207.277 1.308 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H](C)N1C ZINC000335931013 134010883 /nfs/dbraw/zinc/01/08/83/134010883.db2.gz WUDYKIXVYXSYAN-TXEJJXNPSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H](C)N1C ZINC000335931013 134010884 /nfs/dbraw/zinc/01/08/84/134010884.db2.gz WUDYKIXVYXSYAN-TXEJJXNPSA-N 1 2 219.332 1.606 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335934491 134012059 /nfs/dbraw/zinc/01/20/59/134012059.db2.gz BCSBKBCIEGZKEU-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CC1 ZINC000335934656 134012107 /nfs/dbraw/zinc/01/21/07/134012107.db2.gz SMPNTNBNQUINHD-ZYHUDNBSSA-N 1 2 245.326 1.433 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CCc2cccc(F)c2C1 ZINC000335938031 134013249 /nfs/dbraw/zinc/01/32/49/134013249.db2.gz GOVRXRGVARZLDP-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO CC1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000335937450 134013370 /nfs/dbraw/zinc/01/33/70/134013370.db2.gz YJXSKLHNPFXDHO-HSOILSAZSA-N 1 2 233.315 1.360 20 0 BDADLO CCN(C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335955593 134022931 /nfs/dbraw/zinc/02/29/31/134022931.db2.gz WFZURZCVPHPILU-SECBINFHSA-N 1 2 222.292 1.618 20 0 BDADLO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000335958229 134024291 /nfs/dbraw/zinc/02/42/91/134024291.db2.gz GOIPAXVFDCJUTO-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000335958229 134024292 /nfs/dbraw/zinc/02/42/92/134024292.db2.gz GOIPAXVFDCJUTO-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351979730 134025598 /nfs/dbraw/zinc/02/55/98/134025598.db2.gz VVIXMYGUDFUOSF-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000351979730 134025599 /nfs/dbraw/zinc/02/55/99/134025599.db2.gz VVIXMYGUDFUOSF-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CCC[C@H]21 ZINC000335974119 134030515 /nfs/dbraw/zinc/03/05/15/134030515.db2.gz LVYKHFMDTKQNPX-GHMZBOCLSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335975703 134031471 /nfs/dbraw/zinc/03/14/71/134031471.db2.gz GPLZBPFDULQZFP-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000335980104 134037255 /nfs/dbraw/zinc/03/72/55/134037255.db2.gz MOOOJWXXBFJUCV-WCQYABFASA-N 1 2 247.342 1.754 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000336014082 134052476 /nfs/dbraw/zinc/05/24/76/134052476.db2.gz YAMZKQVEMUUBSE-NSHDSACASA-N 1 2 231.303 1.778 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000336014082 134052477 /nfs/dbraw/zinc/05/24/77/134052477.db2.gz YAMZKQVEMUUBSE-NSHDSACASA-N 1 2 231.303 1.778 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCCCC1 ZINC000336032573 134058616 /nfs/dbraw/zinc/05/86/16/134058616.db2.gz SUVAXJUWFWTJQR-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCCCC1 ZINC000336032573 134058617 /nfs/dbraw/zinc/05/86/17/134058617.db2.gz SUVAXJUWFWTJQR-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336043941 134062634 /nfs/dbraw/zinc/06/26/34/134062634.db2.gz ORXLOGPRLZIFMG-VHSXEESVSA-N 1 2 235.331 1.990 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336043941 134062635 /nfs/dbraw/zinc/06/26/35/134062635.db2.gz ORXLOGPRLZIFMG-VHSXEESVSA-N 1 2 235.331 1.990 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)NCc1[nH+]ccn1C ZINC000336054770 134065665 /nfs/dbraw/zinc/06/56/65/134065665.db2.gz SWFNNUPYONORBY-DTORHVGOSA-N 1 2 222.292 1.112 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352115343 134071701 /nfs/dbraw/zinc/07/17/01/134071701.db2.gz KNCRBKFEVBPUGW-HGNGGELXSA-N 1 2 225.292 1.284 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352115343 134071702 /nfs/dbraw/zinc/07/17/02/134071702.db2.gz KNCRBKFEVBPUGW-HGNGGELXSA-N 1 2 225.292 1.284 20 0 BDADLO Cc1cc(NC(=O)NC2CC(C)(F)C2)cc[nH+]1 ZINC000336109521 134086082 /nfs/dbraw/zinc/08/60/82/134086082.db2.gz NPDLSNDSUMTZQU-UHFFFAOYSA-N 1 2 237.278 1.824 20 0 BDADLO C[C@H]1[N@H+](Cc2cc[nH]n2)CCOC1(C)C ZINC000336114392 134087979 /nfs/dbraw/zinc/08/79/79/134087979.db2.gz BRIBYAFYMDPVLR-SECBINFHSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1[N@@H+](Cc2cc[nH]n2)CCOC1(C)C ZINC000336114392 134087980 /nfs/dbraw/zinc/08/79/80/134087980.db2.gz BRIBYAFYMDPVLR-SECBINFHSA-N 1 2 209.293 1.409 20 0 BDADLO CCN1CC[N@H+](Cc2ccn(C)c2)[C@H](C)C1=O ZINC000336116615 134088551 /nfs/dbraw/zinc/08/85/51/134088551.db2.gz NRCCEBVSCRPAHO-LLVKDONJSA-N 1 2 235.331 1.078 20 0 BDADLO CCN1CC[N@@H+](Cc2ccn(C)c2)[C@H](C)C1=O ZINC000336116615 134088552 /nfs/dbraw/zinc/08/85/52/134088552.db2.gz NRCCEBVSCRPAHO-LLVKDONJSA-N 1 2 235.331 1.078 20 0 BDADLO c1nnsc1CSCC[NH+]1CCOCC1 ZINC000352160607 134090036 /nfs/dbraw/zinc/09/00/36/134090036.db2.gz MYYAPCPQVGXSRF-UHFFFAOYSA-N 1 2 245.373 1.104 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(N)=O)c1cccc(F)c1 ZINC000336125521 134092737 /nfs/dbraw/zinc/09/27/37/134092737.db2.gz KQXSBBDQNZSCNX-JTQLQIEISA-N 1 2 248.261 1.317 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000336161376 134110933 /nfs/dbraw/zinc/11/09/33/134110933.db2.gz GNBNQUQRALHZAN-ZJUUUORDSA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000336161376 134110934 /nfs/dbraw/zinc/11/09/34/134110934.db2.gz GNBNQUQRALHZAN-ZJUUUORDSA-N 1 2 245.244 1.870 20 0 BDADLO CCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336162428 134111740 /nfs/dbraw/zinc/11/17/40/134111740.db2.gz WQJCQFUDIOEWOI-SECBINFHSA-N 1 2 243.332 1.286 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@H]1CO ZINC000336171035 134114967 /nfs/dbraw/zinc/11/49/67/134114967.db2.gz XJXVKLQLPXKDIS-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@H]1CO ZINC000336171035 134114968 /nfs/dbraw/zinc/11/49/68/134114968.db2.gz XJXVKLQLPXKDIS-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@@H]1CO ZINC000336171034 134115080 /nfs/dbraw/zinc/11/50/80/134115080.db2.gz XJXVKLQLPXKDIS-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@@H]1CO ZINC000336171034 134115081 /nfs/dbraw/zinc/11/50/81/134115081.db2.gz XJXVKLQLPXKDIS-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(O)CCCCC1 ZINC000336184026 134120513 /nfs/dbraw/zinc/12/05/13/134120513.db2.gz VAMAEPJHCVCFQL-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)CC1(C)C ZINC000336207275 134132710 /nfs/dbraw/zinc/13/27/10/134132710.db2.gz WMMXJNBXQRFRAF-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000336213813 134135414 /nfs/dbraw/zinc/13/54/14/134135414.db2.gz MCVQGWSBVVWAMT-NSHDSACASA-N 1 2 237.347 1.993 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@H+]1CCOC[C@@H]1C ZINC000336213813 134135415 /nfs/dbraw/zinc/13/54/15/134135415.db2.gz MCVQGWSBVVWAMT-NSHDSACASA-N 1 2 237.347 1.993 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](C)C1 ZINC000218200236 134252688 /nfs/dbraw/zinc/25/26/88/134252688.db2.gz IFKXJUOZICQGAD-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](C)C1 ZINC000218200236 134252689 /nfs/dbraw/zinc/25/26/89/134252689.db2.gz IFKXJUOZICQGAD-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000173131935 134273909 /nfs/dbraw/zinc/27/39/09/134273909.db2.gz AJLXVZDDKILMCA-LLVKDONJSA-N 1 2 243.310 1.888 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nccnc2C)on1 ZINC000219133588 134274435 /nfs/dbraw/zinc/27/44/35/134274435.db2.gz YXQKCUFRHZICJI-SNVBAGLBSA-N 1 2 232.287 1.932 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000174757789 134283086 /nfs/dbraw/zinc/28/30/86/134283086.db2.gz FCTNVUMLNBYVSG-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000174757773 134283274 /nfs/dbraw/zinc/28/32/74/134283274.db2.gz FCTNVUMLNBYVSG-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO Cc1nc(NCc2ccc(C(N)=O)o2)cc[nH+]1 ZINC000176741538 134292629 /nfs/dbraw/zinc/29/26/29/134292629.db2.gz LUDOXOBYMHIWPJ-UHFFFAOYSA-N 1 2 232.243 1.089 20 0 BDADLO CC(C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178472434 134307354 /nfs/dbraw/zinc/30/73/54/134307354.db2.gz XLDLMAUXIROBTF-LBPRGKRZSA-N 1 2 249.358 1.998 20 0 BDADLO Cc1cccn2c(CN3CCO[C@@H](C)C3)c[nH+]c12 ZINC000179865538 134324300 /nfs/dbraw/zinc/32/43/00/134324300.db2.gz LYBWKALTAAHQLJ-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO CCC[C@@](C)([NH2+]CC1=CCCOC1)C(=O)OC ZINC000184044708 134360010 /nfs/dbraw/zinc/36/00/10/134360010.db2.gz XDJRXGZQLCDQIQ-CYBMUJFWSA-N 1 2 241.331 1.655 20 0 BDADLO CN(C)c1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000185278359 134376061 /nfs/dbraw/zinc/37/60/61/134376061.db2.gz BMJDFWXXSZHGOW-QMMMGPOBSA-N 1 2 242.348 1.073 20 0 BDADLO CN(C)c1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000185278359 134376062 /nfs/dbraw/zinc/37/60/62/134376062.db2.gz BMJDFWXXSZHGOW-QMMMGPOBSA-N 1 2 242.348 1.073 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H](CO)CC(C)C)no1 ZINC000185347036 134376934 /nfs/dbraw/zinc/37/69/34/134376934.db2.gz MKMXCCNLOXBTDX-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H](CO)CC(C)C)no1 ZINC000185347036 134376935 /nfs/dbraw/zinc/37/69/35/134376935.db2.gz MKMXCCNLOXBTDX-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc(N2CCCC2)[nH+]cn1 ZINC000408109972 134395253 /nfs/dbraw/zinc/39/52/53/134395253.db2.gz JHUXUHFCVRYVBF-MNOVXSKESA-N 1 2 248.330 1.036 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc(N2CCCC2)nc[nH+]1 ZINC000408109972 134395254 /nfs/dbraw/zinc/39/52/54/134395254.db2.gz JHUXUHFCVRYVBF-MNOVXSKESA-N 1 2 248.330 1.036 20 0 BDADLO Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(C)[nH+]1 ZINC000228308299 134412461 /nfs/dbraw/zinc/41/24/61/134412461.db2.gz MQJJJRXSGNTKDA-UHFFFAOYSA-N 1 2 244.254 1.034 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000231030126 134538922 /nfs/dbraw/zinc/53/89/22/134538922.db2.gz QUTTZXFGCRAEDO-AWEZNQCLSA-N 1 2 245.322 1.695 20 0 BDADLO CC[C@H](NC(=O)c1c[nH]nc1C)c1[nH]cc[nH+]1 ZINC000140457774 134792754 /nfs/dbraw/zinc/79/27/54/134792754.db2.gz WUDGDFXSZCSJCZ-VIFPVBQESA-N 1 2 233.275 1.322 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn(C)nn1)c1nccs1 ZINC000070717161 135010976 /nfs/dbraw/zinc/01/09/76/135010976.db2.gz ATWQMIFRSYGKNH-SECBINFHSA-N 1 2 237.332 1.513 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1nccs1 ZINC000070733135 135011630 /nfs/dbraw/zinc/01/16/30/135011630.db2.gz CQROFNINJMDRFG-RITPCOANSA-N 1 2 240.250 1.717 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000076148884 135013435 /nfs/dbraw/zinc/01/34/35/135013435.db2.gz YHUFJJYFBMTHNH-IUCAKERBSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000076148884 135013437 /nfs/dbraw/zinc/01/34/37/135013437.db2.gz YHUFJJYFBMTHNH-IUCAKERBSA-N 1 2 209.293 1.998 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)co1 ZINC000249077664 135032083 /nfs/dbraw/zinc/03/20/83/135032083.db2.gz SASSZRUCKAGCIC-MNOVXSKESA-N 1 2 240.328 1.381 20 0 BDADLO c1nc(C[N@H+]2CCS[C@H]3COCC[C@H]32)co1 ZINC000249077664 135032084 /nfs/dbraw/zinc/03/20/84/135032084.db2.gz SASSZRUCKAGCIC-MNOVXSKESA-N 1 2 240.328 1.381 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)[C@H](C)O ZINC000249073875 135032188 /nfs/dbraw/zinc/03/21/88/135032188.db2.gz LKMGFYFLGTZELK-FIQHERPVSA-N 1 2 243.347 1.325 20 0 BDADLO CCc1nnc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)[nH]1 ZINC000249290131 135036206 /nfs/dbraw/zinc/03/62/06/135036206.db2.gz KEQRIAQONOCEJD-UWVGGRQHSA-N 1 2 238.335 1.102 20 0 BDADLO CCc1nnc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)[nH]1 ZINC000249290131 135036208 /nfs/dbraw/zinc/03/62/08/135036208.db2.gz KEQRIAQONOCEJD-UWVGGRQHSA-N 1 2 238.335 1.102 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249307776 135043193 /nfs/dbraw/zinc/04/31/93/135043193.db2.gz HDPSSCBMFMAHFN-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249307776 135043195 /nfs/dbraw/zinc/04/31/95/135043195.db2.gz HDPSSCBMFMAHFN-GARJFASQSA-N 1 2 228.336 1.010 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000250659809 135057324 /nfs/dbraw/zinc/05/73/24/135057324.db2.gz DSODNJVYQAQNCC-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO COc1ccsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000086549285 135088651 /nfs/dbraw/zinc/08/86/51/135088651.db2.gz LOXAKYUOFYWMMT-UHFFFAOYSA-N 1 2 237.284 1.410 20 0 BDADLO COc1ccsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000086549285 135088654 /nfs/dbraw/zinc/08/86/54/135088654.db2.gz LOXAKYUOFYWMMT-UHFFFAOYSA-N 1 2 237.284 1.410 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@]1(C)CCCO1 ZINC000087234307 135114231 /nfs/dbraw/zinc/11/42/31/135114231.db2.gz GFDVQTDTFIESNC-NSHDSACASA-N 1 2 209.293 1.377 20 0 BDADLO Cc1cc(NC(=O)Cn2ccccc2=O)cc[nH+]1 ZINC000078579193 135129102 /nfs/dbraw/zinc/12/91/02/135129102.db2.gz RIQRARWDMXOKBU-UHFFFAOYSA-N 1 2 243.266 1.190 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc(N)s2)[C@H]1C ZINC000261536528 135172084 /nfs/dbraw/zinc/17/20/84/135172084.db2.gz SAFRMYFHBYGICW-JGVFFNPUSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc(N)s2)[C@H]1C ZINC000261536528 135172086 /nfs/dbraw/zinc/17/20/86/135172086.db2.gz SAFRMYFHBYGICW-JGVFFNPUSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1CCC[C@H](N(C)Cc2noc(C[NH3+])n2)C1 ZINC000261542811 135183089 /nfs/dbraw/zinc/18/30/89/135183089.db2.gz QBQYXGMTURFCKE-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc2c1NCC2 ZINC000261809400 135254207 /nfs/dbraw/zinc/25/42/07/135254207.db2.gz HOCUCZUUMSLOGK-SNVBAGLBSA-N 1 2 248.326 1.648 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2c1NCC2 ZINC000261809400 135254208 /nfs/dbraw/zinc/25/42/08/135254208.db2.gz HOCUCZUUMSLOGK-SNVBAGLBSA-N 1 2 248.326 1.648 20 0 BDADLO O=C(Nc1ccncc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261856772 135258528 /nfs/dbraw/zinc/25/85/28/135258528.db2.gz ADBOOUNIWWINEM-QMMMGPOBSA-N 1 2 227.214 1.017 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262403161 135295379 /nfs/dbraw/zinc/29/53/79/135295379.db2.gz ZYWNRSKAWPHCPX-IWSPIJDZSA-N 1 2 232.274 1.288 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)OC[C@@H]2C)n1C ZINC000342781150 135317566 /nfs/dbraw/zinc/31/75/66/135317566.db2.gz NGILYKXETUBZPM-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1c[nH+]c(CN2C[C@H](C)OC[C@H]2C)n1C ZINC000342781148 135317805 /nfs/dbraw/zinc/31/78/05/135317805.db2.gz NGILYKXETUBZPM-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO O=C(Nc1ccccn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262906247 135323615 /nfs/dbraw/zinc/32/36/15/135323615.db2.gz FDZFATAMJKVAAW-SSDOTTSWSA-N 1 2 227.214 1.017 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H]3CCC[C@H]32)n1C ZINC000342776942 135327626 /nfs/dbraw/zinc/32/76/26/135327626.db2.gz JDUBHCXTHASTQD-VXGBXAGGSA-N 1 2 235.331 1.482 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334223281 135328013 /nfs/dbraw/zinc/32/80/13/135328013.db2.gz ZJVXVFMQFUMCSJ-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334223281 135328015 /nfs/dbraw/zinc/32/80/15/135328015.db2.gz ZJVXVFMQFUMCSJ-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000334223091 135328467 /nfs/dbraw/zinc/32/84/67/135328467.db2.gz ZICHKEDSHQUZLO-JTQLQIEISA-N 1 2 221.304 1.218 20 0 BDADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCCCC1 ZINC000334226443 135330315 /nfs/dbraw/zinc/33/03/15/135330315.db2.gz FMFFRTJDYAVULG-JTQLQIEISA-N 1 2 233.315 1.842 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@@H]1C ZINC000263073828 135331501 /nfs/dbraw/zinc/33/15/01/135331501.db2.gz WWBTZKBCHIFRTC-HLTSFMKQSA-N 1 2 232.274 1.241 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263137278 135334966 /nfs/dbraw/zinc/33/49/66/135334966.db2.gz CATXHBABSMWMJW-SFYZADRCSA-N 1 2 232.274 1.146 20 0 BDADLO COCc1cnc(C[N@@H+]2CC[C@@H](OC)C2)s1 ZINC000342931939 135336767 /nfs/dbraw/zinc/33/67/67/135336767.db2.gz LFHGTJACVHCZRT-SECBINFHSA-N 1 2 242.344 1.510 20 0 BDADLO COCc1cnc(C[N@H+]2CC[C@@H](OC)C2)s1 ZINC000342931939 135336768 /nfs/dbraw/zinc/33/67/68/135336768.db2.gz LFHGTJACVHCZRT-SECBINFHSA-N 1 2 242.344 1.510 20 0 BDADLO CC1(C)CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263187019 135337959 /nfs/dbraw/zinc/33/79/59/135337959.db2.gz HLPJOGOOKLKPJM-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263279456 135344607 /nfs/dbraw/zinc/34/46/07/135344607.db2.gz UACOXXNABDCPFH-HRDYMLBCSA-N 1 2 232.274 1.098 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334310058 135350885 /nfs/dbraw/zinc/35/08/85/135350885.db2.gz KKDHCVITIQLFOT-JTQLQIEISA-N 1 2 245.282 1.739 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334310058 135350886 /nfs/dbraw/zinc/35/08/86/135350886.db2.gz KKDHCVITIQLFOT-JTQLQIEISA-N 1 2 245.282 1.739 20 0 BDADLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCO1 ZINC000334330279 135354416 /nfs/dbraw/zinc/35/44/16/135354416.db2.gz OKJIZACCHSUYPL-RKDXNWHRSA-N 1 2 200.282 1.267 20 0 BDADLO CC(C)[C@H]1C[N@H+]([C@H](C)C(N)=O)CCO1 ZINC000334330279 135354418 /nfs/dbraw/zinc/35/44/18/135354418.db2.gz OKJIZACCHSUYPL-RKDXNWHRSA-N 1 2 200.282 1.267 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)NC1CC1 ZINC000334344003 135365359 /nfs/dbraw/zinc/36/53/59/135365359.db2.gz RXBGQTSLYDYRID-SNVBAGLBSA-N 1 2 230.311 1.842 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)NC1CC1 ZINC000334344003 135365360 /nfs/dbraw/zinc/36/53/60/135365360.db2.gz RXBGQTSLYDYRID-SNVBAGLBSA-N 1 2 230.311 1.842 20 0 BDADLO C[N@H+]1CC[C@H]2CCN(C(=O)NCC3CC3)[C@@H]2C1 ZINC000334357397 135370457 /nfs/dbraw/zinc/37/04/57/135370457.db2.gz PYPHUEMGSIJAAJ-NWDGAFQWSA-N 1 2 237.347 1.132 20 0 BDADLO O=C1[C@@H]([N@@H+]2CCC=C(F)C2)CCN1C1CC1 ZINC000334364411 135372524 /nfs/dbraw/zinc/37/25/24/135372524.db2.gz MWVNGTYFLXFPCD-NSHDSACASA-N 1 2 224.279 1.309 20 0 BDADLO O=C1[C@@H]([N@H+]2CCC=C(F)C2)CCN1C1CC1 ZINC000334364411 135372525 /nfs/dbraw/zinc/37/25/25/135372525.db2.gz MWVNGTYFLXFPCD-NSHDSACASA-N 1 2 224.279 1.309 20 0 BDADLO O=C(C[N@H+]1CCc2c(F)cccc2C1)N1CCC1 ZINC000334377311 135377883 /nfs/dbraw/zinc/37/78/83/135377883.db2.gz FUCCFAHOSJZVSN-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO O=C(C[N@@H+]1CCc2c(F)cccc2C1)N1CCC1 ZINC000334377311 135377885 /nfs/dbraw/zinc/37/78/85/135377885.db2.gz FUCCFAHOSJZVSN-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000334386682 135382931 /nfs/dbraw/zinc/38/29/31/135382931.db2.gz OASALHRLZBKKFD-QWRGUYRKSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334390396 135383540 /nfs/dbraw/zinc/38/35/40/135383540.db2.gz SZXOAQPNPISKBS-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334390396 135383541 /nfs/dbraw/zinc/38/35/41/135383541.db2.gz SZXOAQPNPISKBS-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000334415193 135396918 /nfs/dbraw/zinc/39/69/18/135396918.db2.gz NNPFCHXYFHWNTB-DTWKUNHWSA-N 1 2 244.289 1.853 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000334415193 135396919 /nfs/dbraw/zinc/39/69/19/135396919.db2.gz NNPFCHXYFHWNTB-DTWKUNHWSA-N 1 2 244.289 1.853 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000334437398 135403677 /nfs/dbraw/zinc/40/36/77/135403677.db2.gz RHNFMLXMKFZEIN-SNVBAGLBSA-N 1 2 245.282 1.643 20 0 BDADLO CCN1CN(C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000192387338 135569169 /nfs/dbraw/zinc/56/91/69/135569169.db2.gz SQVRBWVRRCHEOV-UHFFFAOYSA-N 1 2 248.286 1.044 20 0 BDADLO CC(C)[C@@H](CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000343798895 135696601 /nfs/dbraw/zinc/69/66/01/135696601.db2.gz YTIGREIMDDPSMB-LLVKDONJSA-N 1 2 235.331 1.452 20 0 BDADLO C[C@@]12CC[N@H+](Cc3ncccn3)C[C@@H]1C2(F)F ZINC000334865211 135826971 /nfs/dbraw/zinc/82/69/71/135826971.db2.gz VFEJZOXXMQLRSP-GXSJLCMTSA-N 1 2 239.269 1.954 20 0 BDADLO C[C@@]12CC[N@@H+](Cc3ncccn3)C[C@@H]1C2(F)F ZINC000334865211 135826972 /nfs/dbraw/zinc/82/69/72/135826972.db2.gz VFEJZOXXMQLRSP-GXSJLCMTSA-N 1 2 239.269 1.954 20 0 BDADLO Cc1cc[nH+]cc1N1CCN(C(=O)C2CC2)CC1 ZINC000334939149 135846185 /nfs/dbraw/zinc/84/61/85/135846185.db2.gz GVIYFCCMDGUJCS-UHFFFAOYSA-N 1 2 245.326 1.449 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000346778002 135973043 /nfs/dbraw/zinc/97/30/43/135973043.db2.gz KXBZAIQIQJALKM-JTQLQIEISA-N 1 2 249.314 1.599 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347649992 136001330 /nfs/dbraw/zinc/00/13/30/136001330.db2.gz NHDWWAYJOCVZOC-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347649992 136001331 /nfs/dbraw/zinc/00/13/31/136001331.db2.gz NHDWWAYJOCVZOC-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2ncc[nH]2)ccn1 ZINC000347690905 136005720 /nfs/dbraw/zinc/00/57/20/136005720.db2.gz WKIMOSGKLSGZDO-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COCC[N@H+](C)Cc1ccn(C(F)F)n1 ZINC000347696960 136006904 /nfs/dbraw/zinc/00/69/04/136006904.db2.gz GTRJKUDCBYFQRM-UHFFFAOYSA-N 1 2 219.235 1.356 20 0 BDADLO COCC[N@@H+](C)Cc1ccn(C(F)F)n1 ZINC000347696960 136006905 /nfs/dbraw/zinc/00/69/05/136006905.db2.gz GTRJKUDCBYFQRM-UHFFFAOYSA-N 1 2 219.235 1.356 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347848855 136012613 /nfs/dbraw/zinc/01/26/13/136012613.db2.gz BQNNEFTZJWCUHD-NSHDSACASA-N 1 2 224.308 1.080 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000347848855 136012614 /nfs/dbraw/zinc/01/26/14/136012614.db2.gz BQNNEFTZJWCUHD-NSHDSACASA-N 1 2 224.308 1.080 20 0 BDADLO CC[C@H](NC(=O)c1ncoc1C)c1[nH]cc[nH+]1 ZINC000347939893 136019290 /nfs/dbraw/zinc/01/92/90/136019290.db2.gz BDJRHVOJFQRXGS-QMMMGPOBSA-N 1 2 234.259 1.587 20 0 BDADLO CC[C@@H](C)[C@@H](NCCn1cc[nH+]c1)C(=O)OC ZINC000348009072 136021377 /nfs/dbraw/zinc/02/13/77/136021377.db2.gz RFSPGSYEOHPXOW-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335314955 136023700 /nfs/dbraw/zinc/02/37/00/136023700.db2.gz JQSKMCOOHWRWAK-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000335317552 136025637 /nfs/dbraw/zinc/02/56/37/136025637.db2.gz KEVVBULLXGLYGL-LBPRGKRZSA-N 1 2 247.342 1.926 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000335317161 136025643 /nfs/dbraw/zinc/02/56/43/136025643.db2.gz WKQBDMSGUQQDHV-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO c1c[nH]c(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000335317161 136025644 /nfs/dbraw/zinc/02/56/44/136025644.db2.gz WKQBDMSGUQQDHV-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@H]2C)nc1 ZINC000335312150 136030189 /nfs/dbraw/zinc/03/01/89/136030189.db2.gz CXBZRWCAECCPNG-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2C)nc1 ZINC000335312150 136030190 /nfs/dbraw/zinc/03/01/90/136030190.db2.gz CXBZRWCAECCPNG-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(=O)[nH]1 ZINC000348120457 136032770 /nfs/dbraw/zinc/03/27/70/136032770.db2.gz QXPKKLNXDVRIQP-UHFFFAOYSA-N 1 2 246.270 1.321 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cc1cnnn1C)C2 ZINC000335319865 136033860 /nfs/dbraw/zinc/03/38/60/136033860.db2.gz DISITUYRTFWIPK-UHFFFAOYSA-N 1 2 228.299 1.639 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnnn1C)C2 ZINC000335319865 136033861 /nfs/dbraw/zinc/03/38/61/136033861.db2.gz DISITUYRTFWIPK-UHFFFAOYSA-N 1 2 228.299 1.639 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CC[S@@](=O)CC2(C)C)O1 ZINC000348185230 136044401 /nfs/dbraw/zinc/04/44/01/136044401.db2.gz BBEISQBHYQCZII-OHUAYANFSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CC[S@@](=O)CC2(C)C)O1 ZINC000348185230 136044402 /nfs/dbraw/zinc/04/44/02/136044402.db2.gz BBEISQBHYQCZII-OHUAYANFSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000335334337 136055087 /nfs/dbraw/zinc/05/50/87/136055087.db2.gz QELWFQFQFKOZGI-IUCAKERBSA-N 1 2 207.277 1.352 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC=C(F)C1 ZINC000335334827 136055507 /nfs/dbraw/zinc/05/55/07/136055507.db2.gz WZKRGDHSGDJMBT-JTQLQIEISA-N 1 2 249.289 1.531 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1nccc(C)n1 ZINC000348248187 136056551 /nfs/dbraw/zinc/05/65/51/136056551.db2.gz OZHNEWZNZGSVAD-UHFFFAOYSA-N 1 2 242.282 1.417 20 0 BDADLO C[C@@H](CO)[N@@H+](Cc1csnn1)CC1CCC1 ZINC000348376734 136073869 /nfs/dbraw/zinc/07/38/69/136073869.db2.gz YNBXIPWTJVGRDC-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H](CO)[N@H+](Cc1csnn1)CC1CCC1 ZINC000348376734 136073870 /nfs/dbraw/zinc/07/38/70/136073870.db2.gz YNBXIPWTJVGRDC-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CC1(C)CC1 ZINC000348423748 136077787 /nfs/dbraw/zinc/07/77/87/136077787.db2.gz TUYNBADHPNCCCY-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000335367529 136082054 /nfs/dbraw/zinc/08/20/54/136082054.db2.gz UPINXUWIUJOVGV-DTWKUNHWSA-N 1 2 220.320 1.533 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000335367529 136082055 /nfs/dbraw/zinc/08/20/55/136082055.db2.gz UPINXUWIUJOVGV-DTWKUNHWSA-N 1 2 220.320 1.533 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000335388305 136089565 /nfs/dbraw/zinc/08/95/65/136089565.db2.gz WHUIJKGVLRVHGM-SNVBAGLBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000335388305 136089566 /nfs/dbraw/zinc/08/95/66/136089566.db2.gz WHUIJKGVLRVHGM-SNVBAGLBSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335550587 136098169 /nfs/dbraw/zinc/09/81/69/136098169.db2.gz ZUBQJVOWAVQZKN-GHMZBOCLSA-N 1 2 233.315 1.314 20 0 BDADLO Cc1[nH]c(C(=O)NC2(CF)CCC2)c[nH+]1 ZINC000335552171 136098328 /nfs/dbraw/zinc/09/83/28/136098328.db2.gz DYNBZSVTINRLPC-UHFFFAOYSA-N 1 2 211.240 1.340 20 0 BDADLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000335556338 136099664 /nfs/dbraw/zinc/09/96/64/136099664.db2.gz BFOJYISTQDKWDF-NSHDSACASA-N 1 2 235.331 1.702 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335560334 136105794 /nfs/dbraw/zinc/10/57/94/136105794.db2.gz SXJVHLAGWBDAIZ-CMPLNLGQSA-N 1 2 247.342 1.702 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335560377 136105858 /nfs/dbraw/zinc/10/58/58/136105858.db2.gz UOFAAPHTQIOJLJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335560377 136105859 /nfs/dbraw/zinc/10/58/59/136105859.db2.gz UOFAAPHTQIOJLJ-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC1(C)C ZINC000335564407 136107236 /nfs/dbraw/zinc/10/72/36/136107236.db2.gz SUEYTVHATOESMG-JGVFFNPUSA-N 1 2 232.274 1.241 20 0 BDADLO Cc1c[nH+]c(CN2CC(C3CCC3)C2)n1C ZINC000348705753 136116241 /nfs/dbraw/zinc/11/62/41/136116241.db2.gz GNKVVEBQBUHPBZ-UHFFFAOYSA-N 1 2 219.332 1.960 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)nn1 ZINC001331892481 974852465 /nfs/dbraw/zinc/85/24/65/974852465.db2.gz NWUFUUFDKOGZDU-VHSXEESVSA-N 1 2 212.272 1.185 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccnc(C)c2)o1 ZINC000628244141 397732567 /nfs/dbraw/zinc/73/25/67/397732567.db2.gz UPIYLUJZZAANLJ-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCOc1cc(NCc2[nH+]ccn2CC)ncn1 ZINC000295035874 397752822 /nfs/dbraw/zinc/75/28/22/397752822.db2.gz SHWAAVQNFXXKNB-UHFFFAOYSA-N 1 2 247.302 1.704 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc(C2CC2)o1 ZINC000181514218 397810802 /nfs/dbraw/zinc/81/08/02/397810802.db2.gz LEEXJYLIKQSAOR-UHFFFAOYSA-N 1 2 219.248 1.293 20 0 BDADLO CC[C@H](C)C[NH2+][C@](C)(COC)C(=O)OC ZINC000182605605 397826000 /nfs/dbraw/zinc/82/60/00/397826000.db2.gz LLNPHRXDWFRFAZ-GXSJLCMTSA-N 1 2 217.309 1.200 20 0 BDADLO COC[C@](C)([NH2+]CCC(C)(C)C)C(=O)OC ZINC000182604482 397826132 /nfs/dbraw/zinc/82/61/32/397826132.db2.gz STWHVOKIXSEFPC-LBPRGKRZSA-N 1 2 231.336 1.590 20 0 BDADLO CON(CCn1cc[nH+]c1)Cc1ccccc1 ZINC000183106069 397865402 /nfs/dbraw/zinc/86/54/02/397865402.db2.gz HAYVFMAMPZAWQX-UHFFFAOYSA-N 1 2 231.299 1.947 20 0 BDADLO CC(=O)N1CC[N@H+](C/C=C/Cl)[C@H](C)C1 ZINC000268715622 397953262 /nfs/dbraw/zinc/95/32/62/397953262.db2.gz USKCQSCNSJBPRQ-CDAZIORVSA-N 1 2 216.712 1.292 20 0 BDADLO CC(=O)N1CC[N@@H+](C/C=C/Cl)[C@H](C)C1 ZINC000268715622 397953266 /nfs/dbraw/zinc/95/32/66/397953266.db2.gz USKCQSCNSJBPRQ-CDAZIORVSA-N 1 2 216.712 1.292 20 0 BDADLO CC[C@@H](COC)[NH2+][C@@H](CC1CC1)C(=O)OC ZINC000414480011 397953367 /nfs/dbraw/zinc/95/33/67/397953367.db2.gz ALEPWRLUUIOALA-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)CCC(=O)NCc1[nH+]ccn1C ZINC000264297398 397918219 /nfs/dbraw/zinc/91/82/19/397918219.db2.gz LFVHKQPEPWSPOI-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC(F)(F)C1 ZINC000355769309 397919888 /nfs/dbraw/zinc/91/98/88/397919888.db2.gz QTFFJZMSRUOBOM-UHFFFAOYSA-N 1 2 229.230 1.210 20 0 BDADLO CCCC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000649530819 397923039 /nfs/dbraw/zinc/92/30/39/397923039.db2.gz LLUNKBSGTZKILU-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000360310979 397964528 /nfs/dbraw/zinc/96/45/28/397964528.db2.gz NGFYWBJNSOBEDG-BDAKNGLRSA-N 1 2 239.319 1.253 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000649695424 398044164 /nfs/dbraw/zinc/04/41/64/398044164.db2.gz UXBXAEYKVAUDTQ-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CCOCC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000649695424 398044168 /nfs/dbraw/zinc/04/41/68/398044168.db2.gz UXBXAEYKVAUDTQ-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CCn1nncc1CNc1cc(C)c[nH+]c1C ZINC000650242503 398004335 /nfs/dbraw/zinc/00/43/35/398004335.db2.gz NDXCYDOMPPRJPQ-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cccnc1 ZINC000274969859 398017873 /nfs/dbraw/zinc/01/78/73/398017873.db2.gz KJSFDTXTJYVOKO-WCQYABFASA-N 1 2 248.326 1.855 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cccnc1 ZINC000274969859 398017879 /nfs/dbraw/zinc/01/78/79/398017879.db2.gz KJSFDTXTJYVOKO-WCQYABFASA-N 1 2 248.326 1.855 20 0 BDADLO FC(F)(F)CN1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000555900303 398022407 /nfs/dbraw/zinc/02/24/07/398022407.db2.gz NMACOCNRRCWQMP-UHFFFAOYSA-N 1 2 248.252 1.848 20 0 BDADLO COC(=O)C[C@@H](C)SCCn1cc[nH+]c1 ZINC000085160678 398048181 /nfs/dbraw/zinc/04/81/81/398048181.db2.gz GRXVXADDUGUKTI-SECBINFHSA-N 1 2 228.317 1.568 20 0 BDADLO C[NH+](C)Cc1nc(Cc2ccc(F)cc2)no1 ZINC000277363785 398028991 /nfs/dbraw/zinc/02/89/91/398028991.db2.gz BWLRSPSUANWEBZ-UHFFFAOYSA-N 1 2 235.262 1.861 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2[nH]c[nH+]c2C)o1 ZINC000278603851 398040848 /nfs/dbraw/zinc/04/08/48/398040848.db2.gz LGZDNNVCHOZIAA-UHFFFAOYSA-N 1 2 247.298 1.821 20 0 BDADLO CCNC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000649693112 398041565 /nfs/dbraw/zinc/04/15/65/398041565.db2.gz SBGFBKLCFKZJPP-UHFFFAOYSA-N 1 2 220.263 1.244 20 0 BDADLO CCNC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000649693112 398041566 /nfs/dbraw/zinc/04/15/66/398041566.db2.gz SBGFBKLCFKZJPP-UHFFFAOYSA-N 1 2 220.263 1.244 20 0 BDADLO C[N@@H+](CCN1CCCOCC1)Cc1cccnc1 ZINC000361328278 397975543 /nfs/dbraw/zinc/97/55/43/397975543.db2.gz JSWPPXPRPFZSCX-UHFFFAOYSA-N 1 2 249.358 1.236 20 0 BDADLO Cn1nccc1CC[N@@H+]1CCCC(F)(F)C1 ZINC000649695186 398042788 /nfs/dbraw/zinc/04/27/88/398042788.db2.gz LGIRXHALWTUAPL-UHFFFAOYSA-N 1 2 229.274 1.694 20 0 BDADLO Cn1nccc1CC[N@H+]1CCCC(F)(F)C1 ZINC000649695186 398042791 /nfs/dbraw/zinc/04/27/91/398042791.db2.gz LGIRXHALWTUAPL-UHFFFAOYSA-N 1 2 229.274 1.694 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000528377259 397985912 /nfs/dbraw/zinc/98/59/12/397985912.db2.gz DRZQWGPVLJFHGH-FWAPLPHYSA-N 1 2 230.739 1.585 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000528377259 397985914 /nfs/dbraw/zinc/98/59/14/397985914.db2.gz DRZQWGPVLJFHGH-FWAPLPHYSA-N 1 2 230.739 1.585 20 0 BDADLO COC1(C)C[NH+](Cc2cccc(F)c2N)C1 ZINC000382914502 397987368 /nfs/dbraw/zinc/98/73/68/397987368.db2.gz RWKWVHWXFCNUGN-UHFFFAOYSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)c2ccccc2F)C[C@@H]1O ZINC000388653030 397987886 /nfs/dbraw/zinc/98/78/86/397987886.db2.gz SAVQPHIOOLJQNY-SKDRFNHKSA-N 1 2 237.274 1.321 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)c2ccccc2F)C[C@@H]1O ZINC000388653030 397987887 /nfs/dbraw/zinc/98/78/87/397987887.db2.gz SAVQPHIOOLJQNY-SKDRFNHKSA-N 1 2 237.274 1.321 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnnn2C)[C@@H](CC)CO1 ZINC000649718279 398060280 /nfs/dbraw/zinc/06/02/80/398060280.db2.gz WTRIBYMAVAJYEZ-CMPLNLGQSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnnn2C)[C@@H](CC)CO1 ZINC000649718279 398060283 /nfs/dbraw/zinc/06/02/83/398060283.db2.gz WTRIBYMAVAJYEZ-CMPLNLGQSA-N 1 2 238.335 1.205 20 0 BDADLO COCc1nc(C[N@@H+]2[C@H](C)CCC2(C)C)no1 ZINC000650287654 398064395 /nfs/dbraw/zinc/06/43/95/398064395.db2.gz KCZFEVVDFWLGAR-SECBINFHSA-N 1 2 239.319 1.979 20 0 BDADLO COCc1nc(C[N@H+]2[C@H](C)CCC2(C)C)no1 ZINC000650287654 398064398 /nfs/dbraw/zinc/06/43/98/398064398.db2.gz KCZFEVVDFWLGAR-SECBINFHSA-N 1 2 239.319 1.979 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)NC1CC1 ZINC000649723085 398066123 /nfs/dbraw/zinc/06/61/23/398066123.db2.gz XUJOYZPNVLFCCO-NEPJUHHUSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)NC1CC1 ZINC000649723085 398066128 /nfs/dbraw/zinc/06/61/28/398066128.db2.gz XUJOYZPNVLFCCO-NEPJUHHUSA-N 1 2 240.347 1.154 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccsc1 ZINC000283242446 398070302 /nfs/dbraw/zinc/07/03/02/398070302.db2.gz CDKQECGZDWPQFL-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)ncn2)[C@H](C)CO1 ZINC000649736778 398078954 /nfs/dbraw/zinc/07/89/54/398078954.db2.gz JAQAUMUFARRFHK-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)ncn2)[C@H](C)CO1 ZINC000649736778 398078957 /nfs/dbraw/zinc/07/89/57/398078957.db2.gz JAQAUMUFARRFHK-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000649702709 398051087 /nfs/dbraw/zinc/05/10/87/398051087.db2.gz LHTZGWTWZGGQQD-GFCCVEGCSA-N 1 2 235.331 1.866 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000649702709 398051089 /nfs/dbraw/zinc/05/10/89/398051089.db2.gz LHTZGWTWZGGQQD-GFCCVEGCSA-N 1 2 235.331 1.866 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000280525599 398056895 /nfs/dbraw/zinc/05/68/95/398056895.db2.gz HZNCFXQPODKVFB-CYBMUJFWSA-N 1 2 249.358 2.000 20 0 BDADLO CC(C)C(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000439514115 398100853 /nfs/dbraw/zinc/10/08/53/398100853.db2.gz OGUMVXYQXORKGE-UHFFFAOYSA-N 1 2 209.293 1.708 20 0 BDADLO CC(C)C(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000439514115 398100857 /nfs/dbraw/zinc/10/08/57/398100857.db2.gz OGUMVXYQXORKGE-UHFFFAOYSA-N 1 2 209.293 1.708 20 0 BDADLO COC(C)(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000224073988 398101583 /nfs/dbraw/zinc/10/15/83/398101583.db2.gz XHJBXTNPARZGQO-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO COc1ncc(C[NH2+]Cc2ncc[nH]2)s1 ZINC000389638462 398118172 /nfs/dbraw/zinc/11/81/72/398118172.db2.gz PIDBYFVDAYLNNO-UHFFFAOYSA-N 1 2 224.289 1.165 20 0 BDADLO COc1ncc(CNCc2[nH]cc[nH+]2)s1 ZINC000389638462 398118175 /nfs/dbraw/zinc/11/81/75/398118175.db2.gz PIDBYFVDAYLNNO-UHFFFAOYSA-N 1 2 224.289 1.165 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000643251756 398112080 /nfs/dbraw/zinc/11/20/80/398112080.db2.gz OVOJJUQDVVAUDA-DTWKUNHWSA-N 1 2 234.303 1.071 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000643251756 398112084 /nfs/dbraw/zinc/11/20/84/398112084.db2.gz OVOJJUQDVVAUDA-DTWKUNHWSA-N 1 2 234.303 1.071 20 0 BDADLO FC(F)(F)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000336740625 398124468 /nfs/dbraw/zinc/12/44/68/398124468.db2.gz UMWWSDMRWIPOIM-UHFFFAOYSA-N 1 2 219.210 1.842 20 0 BDADLO Cn1cc(CCCNc2cccc[nH+]2)cn1 ZINC000263751790 398125646 /nfs/dbraw/zinc/12/56/46/398125646.db2.gz PAKALUFUAIHILJ-UHFFFAOYSA-N 1 2 216.288 1.860 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)C2(CCC2)CO1 ZINC000649821817 398123223 /nfs/dbraw/zinc/12/32/23/398123223.db2.gz RCJZLCKAVSGVTE-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C2(CCC2)CO1 ZINC000649821817 398123226 /nfs/dbraw/zinc/12/32/26/398123226.db2.gz RCJZLCKAVSGVTE-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370041061 167053624 /nfs/dbraw/zinc/05/36/24/167053624.db2.gz COYJSHPJUARQTP-ZYHUDNBSSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370041061 167053629 /nfs/dbraw/zinc/05/36/29/167053629.db2.gz COYJSHPJUARQTP-ZYHUDNBSSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068510208 167087853 /nfs/dbraw/zinc/08/78/53/167087853.db2.gz LRCDBHAHBPVYEZ-UHFFFAOYSA-N 1 2 203.245 1.473 20 0 BDADLO CC[N@H+](Cc1oc(C)nc1C)[C@@H]1CCNC1=O ZINC000685581107 487558328 /nfs/dbraw/zinc/55/83/28/487558328.db2.gz GIKVZQNFJZQPNJ-SNVBAGLBSA-N 1 2 237.303 1.002 20 0 BDADLO CC[N@@H+](Cc1oc(C)nc1C)[C@@H]1CCNC1=O ZINC000685581107 487558330 /nfs/dbraw/zinc/55/83/30/487558330.db2.gz GIKVZQNFJZQPNJ-SNVBAGLBSA-N 1 2 237.303 1.002 20 0 BDADLO CCn1cc(CNc2cccc[nH+]2)nn1 ZINC000404443383 487567877 /nfs/dbraw/zinc/56/78/77/487567877.db2.gz IZCVBPNTJHCJHR-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ncccc1F ZINC000169930267 487567372 /nfs/dbraw/zinc/56/73/72/487567372.db2.gz GBICMJJLQNKDJW-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000020349975 487568226 /nfs/dbraw/zinc/56/82/26/487568226.db2.gz WGFNRTKROFOXKZ-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CC[C@H](Cn1cncn1)Nc1ccc(OC)c[nH+]1 ZINC000685653243 487570977 /nfs/dbraw/zinc/57/09/77/487570977.db2.gz XBHPOGNMUOXTIS-SNVBAGLBSA-N 1 2 247.302 1.572 20 0 BDADLO C[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)[C@@H]1C ZINC000674413373 487572007 /nfs/dbraw/zinc/57/20/07/487572007.db2.gz IHYNNRJHKRDJLO-GHMZBOCLSA-N 1 2 243.314 1.897 20 0 BDADLO CCc1cc(N[C@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000674414411 487572822 /nfs/dbraw/zinc/57/28/22/487572822.db2.gz YQEPDNFONCDWAF-JTQLQIEISA-N 1 2 246.314 1.214 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(O)cc2)CC(=O)N1C ZINC000669718167 487573672 /nfs/dbraw/zinc/57/36/72/487573672.db2.gz WTCAHPICKZODPE-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CC(=O)N1C ZINC000669718167 487573679 /nfs/dbraw/zinc/57/36/79/487573679.db2.gz WTCAHPICKZODPE-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO Cc1ccc(NC(=O)NC2([C@@H](C)O)CC2)c(C)[nH+]1 ZINC000666315266 487575621 /nfs/dbraw/zinc/57/56/21/487575621.db2.gz VVBWJMSDILAYQL-SNVBAGLBSA-N 1 2 249.314 1.733 20 0 BDADLO Cc1nnccc1NC(=O)CCCn1cc[nH+]c1 ZINC000680399134 487585460 /nfs/dbraw/zinc/58/54/60/487585460.db2.gz CRRKJFDOFCYYIX-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO CCC1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000674517412 487591215 /nfs/dbraw/zinc/59/12/15/487591215.db2.gz HAMRLGCZQFZQAB-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CCc1noc(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC000530289216 487594863 /nfs/dbraw/zinc/59/48/63/487594863.db2.gz JQHAGRHXOBHHQV-UHFFFAOYSA-N 1 2 248.286 1.840 20 0 BDADLO CCc1noc(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC000530289216 487594866 /nfs/dbraw/zinc/59/48/66/487594866.db2.gz JQHAGRHXOBHHQV-UHFFFAOYSA-N 1 2 248.286 1.840 20 0 BDADLO C[C@H](CC(=O)NCCc1ccco1)n1cc[nH+]c1 ZINC000556704019 322920047 /nfs/dbraw/zinc/92/00/47/322920047.db2.gz VGZPAYDWHYAQRO-LLVKDONJSA-N 1 2 247.298 1.786 20 0 BDADLO CC(C)S(=O)(=O)CCCOc1cc[nH+]cc1 ZINC000292577748 167318225 /nfs/dbraw/zinc/31/82/25/167318225.db2.gz ZPOAJMWYLRXUGU-UHFFFAOYSA-N 1 2 243.328 1.674 20 0 BDADLO COC[C@H]1CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000660756371 487608494 /nfs/dbraw/zinc/60/84/94/487608494.db2.gz AFESFFVOHREJBB-NSHDSACASA-N 1 2 238.335 1.096 20 0 BDADLO COC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000660756371 487608499 /nfs/dbraw/zinc/60/84/99/487608499.db2.gz AFESFFVOHREJBB-NSHDSACASA-N 1 2 238.335 1.096 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC(F)(F)C1 ZINC000673008622 487610335 /nfs/dbraw/zinc/61/03/35/487610335.db2.gz NFOJPKVLSCLEKV-MRVPVSSYSA-N 1 2 243.257 1.646 20 0 BDADLO CC/C=C\CC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660728380 409670594 /nfs/dbraw/zinc/67/05/94/409670594.db2.gz RASGHKITPCYRQL-WAYWQWQTSA-N 1 2 231.361 1.462 20 0 BDADLO CC[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660761255 409723177 /nfs/dbraw/zinc/72/31/77/409723177.db2.gz OVYPFPFPVKSCRV-NSHDSACASA-N 1 2 216.288 1.846 20 0 BDADLO CC[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660761255 409723189 /nfs/dbraw/zinc/72/31/89/409723189.db2.gz OVYPFPFPVKSCRV-NSHDSACASA-N 1 2 216.288 1.846 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000526996427 487610769 /nfs/dbraw/zinc/61/07/69/487610769.db2.gz JSGCHZVGZNUSJF-ZJUUUORDSA-N 1 2 249.314 1.373 20 0 BDADLO C[C@@](O)(CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000674747619 487610787 /nfs/dbraw/zinc/61/07/87/487610787.db2.gz MGWCIDOLSZNWJG-CQSZACIVSA-N 1 2 243.310 1.625 20 0 BDADLO CCc1cc(NC2(CCO)CC2)nc[nH+]1 ZINC000308925709 409940039 /nfs/dbraw/zinc/94/00/39/409940039.db2.gz KNIUOKXUCPIPPJ-UHFFFAOYSA-N 1 2 207.277 1.366 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@@H](C)C(=O)OC)c1 ZINC000616785407 410173000 /nfs/dbraw/zinc/17/30/00/410173000.db2.gz RDFIMFDAEQSOPX-JTQLQIEISA-N 1 2 224.304 1.501 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC)c1 ZINC000616785407 410173007 /nfs/dbraw/zinc/17/30/07/410173007.db2.gz RDFIMFDAEQSOPX-JTQLQIEISA-N 1 2 224.304 1.501 20 0 BDADLO c1c[nH+]c(CN2CCO[C@H](c3ccccc3)C2)[nH]1 ZINC000111198590 410219413 /nfs/dbraw/zinc/21/94/13/410219413.db2.gz JXCJWUYTKZDOSA-ZDUSSCGKSA-N 1 2 243.310 1.983 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000336392986 410203257 /nfs/dbraw/zinc/20/32/57/410203257.db2.gz QZGSYBJORADWSE-SSDOTTSWSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000336392986 410203260 /nfs/dbraw/zinc/20/32/60/410203260.db2.gz QZGSYBJORADWSE-SSDOTTSWSA-N 1 2 231.246 1.855 20 0 BDADLO C[C@@H](NC(=O)C1(C)CCOCC1)c1[nH]cc[nH+]1 ZINC000655401854 410204955 /nfs/dbraw/zinc/20/49/55/410204955.db2.gz OKJRINCQVCFQOG-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000655420542 410230653 /nfs/dbraw/zinc/23/06/53/410230653.db2.gz DFZBACPKOWMVJH-VWYCJHECSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000655420542 410230658 /nfs/dbraw/zinc/23/06/58/410230658.db2.gz DFZBACPKOWMVJH-VWYCJHECSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](C)n3ncnc32)nc[nH+]1 ZINC000664189148 410513398 /nfs/dbraw/zinc/51/33/98/410513398.db2.gz ZICZFBYELGXMKY-IUCAKERBSA-N 1 2 230.275 1.494 20 0 BDADLO c1cn(-c2cc(N3CC[C@@H]4C[C@@H]4C3)ncn2)c[nH+]1 ZINC000664526311 410594198 /nfs/dbraw/zinc/59/41/98/410594198.db2.gz VAZPIVFCULTEKL-GHMZBOCLSA-N 1 2 241.298 1.509 20 0 BDADLO Cc1nc(N2CC[C@H]3COC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000664555635 410599817 /nfs/dbraw/zinc/59/98/17/410599817.db2.gz GYOJVVZQSSRQEV-STQMWFEESA-N 1 2 247.342 1.875 20 0 BDADLO CCO[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000664280871 410550224 /nfs/dbraw/zinc/55/02/24/410550224.db2.gz JMCKPXVXYPOGRG-KYZUINATSA-N 1 2 247.302 1.343 20 0 BDADLO CC[C@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000661413817 410624753 /nfs/dbraw/zinc/62/47/53/410624753.db2.gz PKDHAVLYWGVJGU-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)OC ZINC000661413817 410624759 /nfs/dbraw/zinc/62/47/59/410624759.db2.gz PKDHAVLYWGVJGU-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826712 410638402 /nfs/dbraw/zinc/63/84/02/410638402.db2.gz XDRQFDFLXJDCDE-NWDGAFQWSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826712 410638405 /nfs/dbraw/zinc/63/84/05/410638405.db2.gz XDRQFDFLXJDCDE-NWDGAFQWSA-N 1 2 247.342 1.728 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC2(O)CCC2)o1 ZINC000661528841 410727598 /nfs/dbraw/zinc/72/75/98/410727598.db2.gz PPAFFRQELGKXFE-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC2(O)CCC2)o1 ZINC000661528841 410727604 /nfs/dbraw/zinc/72/76/04/410727604.db2.gz PPAFFRQELGKXFE-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1cscn1)C(N)=O ZINC000393617066 410749720 /nfs/dbraw/zinc/74/97/20/410749720.db2.gz HKIDZIVNEQAPOE-BQBZGAKWSA-N 1 2 213.306 1.058 20 0 BDADLO CCn1cc[nH+]c1CNc1ncncc1Cl ZINC000395431527 410850111 /nfs/dbraw/zinc/85/01/11/410850111.db2.gz GNXKTEXTCLODHJ-UHFFFAOYSA-N 1 2 237.694 1.380 20 0 BDADLO C[NH+](C)CCn1[nH]c2c(c1=O)CCCCC2 ZINC000103466471 410897852 /nfs/dbraw/zinc/89/78/52/410897852.db2.gz YLXXJLGGKKLUSV-SNVBAGLBSA-N 1 2 223.320 1.327 20 0 BDADLO CC(C)NC(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000110127620 167044576 /nfs/dbraw/zinc/04/45/76/167044576.db2.gz HOLKGWNVUGZLFW-UHFFFAOYSA-N 1 2 248.330 1.681 20 0 BDADLO CC(C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177711972 167074849 /nfs/dbraw/zinc/07/48/49/167074849.db2.gz VPRVIYAETZLABJ-UHFFFAOYSA-N 1 2 232.287 1.542 20 0 BDADLO CC(C)[NH2+]c1ccc(OCC(N)=O)cc1 ZINC000037041384 167147001 /nfs/dbraw/zinc/14/70/01/167147001.db2.gz XLBGAXSLBZPMCU-UHFFFAOYSA-N 1 2 208.261 1.371 20 0 BDADLO CC(C)OC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000093773082 167167576 /nfs/dbraw/zinc/16/75/76/167167576.db2.gz NSOOWXRKCKTIRE-SECBINFHSA-N 1 2 225.292 1.182 20 0 BDADLO CC(C)OC(=O)[C@@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000093773082 167167579 /nfs/dbraw/zinc/16/75/79/167167579.db2.gz NSOOWXRKCKTIRE-SECBINFHSA-N 1 2 225.292 1.182 20 0 BDADLO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000336735633 167265340 /nfs/dbraw/zinc/26/53/40/167265340.db2.gz IFSGKUMSZLKVCA-UWVGGRQHSA-N 1 2 226.324 1.279 20 0 BDADLO Cc1nc(N2CCC(C3(O)CC3)CC2)cc[nH+]1 ZINC000651379532 410961703 /nfs/dbraw/zinc/96/17/03/410961703.db2.gz IMDVDHGQCSLOJW-UHFFFAOYSA-N 1 2 233.315 1.526 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000356641844 167478682 /nfs/dbraw/zinc/47/86/82/167478682.db2.gz IWQXJCKILJQADM-GFCCVEGCSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000651474389 411057286 /nfs/dbraw/zinc/05/72/86/411057286.db2.gz KETDZEIWOXEZMS-QPUJVOFHSA-N 1 2 223.320 1.530 20 0 BDADLO Cc1nc(N2CCC([C@@H](C)CO)CC2)cc[nH+]1 ZINC000651431350 411021739 /nfs/dbraw/zinc/02/17/39/411021739.db2.gz VRKBMIUFWHJPLB-JTQLQIEISA-N 1 2 235.331 1.630 20 0 BDADLO CC1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651434062 411025454 /nfs/dbraw/zinc/02/54/54/411025454.db2.gz XLSQPTMMDJQPJS-UHFFFAOYSA-N 1 2 247.342 1.678 20 0 BDADLO CC[C@@H](CNc1cc[nH+]c(C2CC2)n1)C(=O)OC ZINC000591977248 411131890 /nfs/dbraw/zinc/13/18/90/411131890.db2.gz VZFJHAXFMBXCNE-VIFPVBQESA-N 1 2 249.314 1.387 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)o1 ZINC000364920079 411123147 /nfs/dbraw/zinc/12/31/47/411123147.db2.gz YBACQZIBWKAQLC-NHCYSSNCSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)o1 ZINC000364920079 411123150 /nfs/dbraw/zinc/12/31/50/411123150.db2.gz YBACQZIBWKAQLC-NHCYSSNCSA-N 1 2 249.314 1.069 20 0 BDADLO COCCCCNc1nc[nH+]c(C)c1OC ZINC000656108863 411179783 /nfs/dbraw/zinc/17/97/83/411179783.db2.gz DQGHBIHSZPHSQS-UHFFFAOYSA-N 1 2 225.292 1.632 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCn2nncc2C1 ZINC000653794271 411180715 /nfs/dbraw/zinc/18/07/15/411180715.db2.gz NZCQVNIZMXWVIA-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCn2nncc2C1 ZINC000653794271 411180718 /nfs/dbraw/zinc/18/07/18/411180718.db2.gz NZCQVNIZMXWVIA-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO CC[C@@](C)(O)CNc1nc[nH+]c(C)c1OC ZINC000656115981 411182113 /nfs/dbraw/zinc/18/21/13/411182113.db2.gz PGUCFLKWACLNSZ-LLVKDONJSA-N 1 2 225.292 1.367 20 0 BDADLO CCC[C@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656125636 411183212 /nfs/dbraw/zinc/18/32/12/411183212.db2.gz VAYDUSMAKLWTDE-VIFPVBQESA-N 1 2 225.292 1.367 20 0 BDADLO CC[C@H](CCO)Nc1nc[nH+]c(C)c1OC ZINC000656128695 411183905 /nfs/dbraw/zinc/18/39/05/411183905.db2.gz ZWBRAOYGDYSRJT-SECBINFHSA-N 1 2 225.292 1.367 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC(C)(C)C1 ZINC000656135138 411184740 /nfs/dbraw/zinc/18/47/40/411184740.db2.gz HQYMYDWIRGEZQC-UHFFFAOYSA-N 1 2 236.319 1.454 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@]1(C)CCCO1 ZINC000656144733 411186466 /nfs/dbraw/zinc/18/64/66/411186466.db2.gz MMOFKPLKHGEMQJ-GFCCVEGCSA-N 1 2 237.303 1.775 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC000656152713 411187026 /nfs/dbraw/zinc/18/70/26/411187026.db2.gz DFJXHOLIOFXCDA-SFYZADRCSA-N 1 2 240.282 1.252 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C)[C@@H](F)C1 ZINC000656152713 411187027 /nfs/dbraw/zinc/18/70/27/411187027.db2.gz DFJXHOLIOFXCDA-SFYZADRCSA-N 1 2 240.282 1.252 20 0 BDADLO O[C@H](C[NH+]1CC2(CC2(F)F)C1)C(F)(F)F ZINC000656154782 411188253 /nfs/dbraw/zinc/18/82/53/411188253.db2.gz UPQKFXFEXCNXOR-RXMQYKEDSA-N 1 2 231.164 1.251 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC000656153417 411188749 /nfs/dbraw/zinc/18/87/49/411188749.db2.gz QVHMGTRNBWQLAI-SCZZXKLOSA-N 1 2 239.294 1.978 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](O)[C@H](C)C1 ZINC000656164103 411189773 /nfs/dbraw/zinc/18/97/73/411189773.db2.gz CKNCKMWPPBLNOK-SCZZXKLOSA-N 1 2 237.303 1.001 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812278 411189899 /nfs/dbraw/zinc/18/98/99/411189899.db2.gz HEPFFVORNMJRTD-GFCCVEGCSA-N 1 2 236.319 1.338 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812278 411189904 /nfs/dbraw/zinc/18/99/04/411189904.db2.gz HEPFFVORNMJRTD-GFCCVEGCSA-N 1 2 236.319 1.338 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812278 411189908 /nfs/dbraw/zinc/18/99/08/411189908.db2.gz HEPFFVORNMJRTD-GFCCVEGCSA-N 1 2 236.319 1.338 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812278 411189911 /nfs/dbraw/zinc/18/99/11/411189911.db2.gz HEPFFVORNMJRTD-GFCCVEGCSA-N 1 2 236.319 1.338 20 0 BDADLO CC[C@]1(O)CCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656166173 411190660 /nfs/dbraw/zinc/19/06/60/411190660.db2.gz FLJLQXZQKJDUMU-LBPRGKRZSA-N 1 2 237.303 1.145 20 0 BDADLO COc1nn(C)cc1N[C@H]1CCCn2cc[nH+]c21 ZINC000655759986 411190854 /nfs/dbraw/zinc/19/08/54/411190854.db2.gz JLPDOHTZOWCTOU-VIFPVBQESA-N 1 2 247.302 1.572 20 0 BDADLO CC(C)n1ccc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000280592135 167765517 /nfs/dbraw/zinc/76/55/17/167765517.db2.gz XTZBGZSILYSAOO-UHFFFAOYSA-N 1 2 247.302 1.689 20 0 BDADLO O=C1C[N@@H+]([C@H]2CCCOC2)Cc2ccccc2N1 ZINC000653829913 411195965 /nfs/dbraw/zinc/19/59/65/411195965.db2.gz IILBHFNSLXHDMX-LBPRGKRZSA-N 1 2 246.310 1.620 20 0 BDADLO O=C1C[N@H+]([C@H]2CCCOC2)Cc2ccccc2N1 ZINC000653829913 411195966 /nfs/dbraw/zinc/19/59/66/411195966.db2.gz IILBHFNSLXHDMX-LBPRGKRZSA-N 1 2 246.310 1.620 20 0 BDADLO CCn1cc(CNc2nc[nH+]c(C)c2OC)cn1 ZINC000656188139 411196619 /nfs/dbraw/zinc/19/66/19/411196619.db2.gz NKHAAPXFMAXBLM-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO Cc1ncc(C)c(N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000656189003 411197606 /nfs/dbraw/zinc/19/76/06/411197606.db2.gz JPPASPGYEIUPJZ-JTQLQIEISA-N 1 2 243.314 1.786 20 0 BDADLO Cc1ncc(C)c(N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000656189003 411197609 /nfs/dbraw/zinc/19/76/09/411197609.db2.gz JPPASPGYEIUPJZ-JTQLQIEISA-N 1 2 243.314 1.786 20 0 BDADLO CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000048487544 411201598 /nfs/dbraw/zinc/20/15/98/411201598.db2.gz UTWURYWQPATCMT-NSHDSACASA-N 1 2 244.298 1.439 20 0 BDADLO CCCC[N@H+](CCO)Cc1nc(CC)no1 ZINC000049832224 411245483 /nfs/dbraw/zinc/24/54/83/411245483.db2.gz KMHXVVUIYNICCM-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nc(CC)no1 ZINC000049832224 411245487 /nfs/dbraw/zinc/24/54/87/411245487.db2.gz KMHXVVUIYNICCM-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000656203273 411207806 /nfs/dbraw/zinc/20/78/06/411207806.db2.gz FRWHOWSFBJUURE-BBBLOLIVSA-N 1 2 235.287 1.525 20 0 BDADLO COCCCCN(C)c1nc[nH+]c(C)c1OC ZINC000656204819 411208566 /nfs/dbraw/zinc/20/85/66/411208566.db2.gz JKVMJYITESGZFV-UHFFFAOYSA-N 1 2 239.319 1.656 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2nc(C)no2)c1 ZINC000653890735 411210253 /nfs/dbraw/zinc/21/02/53/411210253.db2.gz LJMFBBGCVUFERG-UHFFFAOYSA-N 1 2 248.286 1.414 20 0 BDADLO Cn1nnc2c1CC[C@H](Nc1cccc[nH+]1)C2 ZINC000656219467 411212421 /nfs/dbraw/zinc/21/24/21/411212421.db2.gz SIOUPCMYNYTELV-VIFPVBQESA-N 1 2 229.287 1.180 20 0 BDADLO CCCn1ncnc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653902611 411217606 /nfs/dbraw/zinc/21/76/06/411217606.db2.gz XTDHZTILYVFDGF-SNVBAGLBSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653902611 411217607 /nfs/dbraw/zinc/21/76/07/411217607.db2.gz XTDHZTILYVFDGF-SNVBAGLBSA-N 1 2 238.335 1.033 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000656269877 411219831 /nfs/dbraw/zinc/21/98/31/411219831.db2.gz UZHHQWVHLCZQFC-BBBLOLIVSA-N 1 2 236.319 1.402 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000656276434 411227885 /nfs/dbraw/zinc/22/78/85/411227885.db2.gz JQLKOLSIDSXNNJ-SSDOTTSWSA-N 1 2 221.264 1.294 20 0 BDADLO Cn1cc[nH+]c1-c1cccc([C@@H]2CCNC2=O)c1 ZINC000656371588 411237075 /nfs/dbraw/zinc/23/70/75/411237075.db2.gz JGQPWZXTIVFHLD-LBPRGKRZSA-N 1 2 241.294 1.691 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cn(C)cn1 ZINC000660451440 411166426 /nfs/dbraw/zinc/16/64/26/411166426.db2.gz VHPCJNCOUZTKHZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cn(C)cn1 ZINC000660451440 411166429 /nfs/dbraw/zinc/16/64/29/411166429.db2.gz VHPCJNCOUZTKHZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccncc1CN(C)Cc1cn(C)c[nH+]1 ZINC000660451440 411166432 /nfs/dbraw/zinc/16/64/32/411166432.db2.gz VHPCJNCOUZTKHZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO FCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000656457962 411267403 /nfs/dbraw/zinc/26/74/03/411267403.db2.gz UTFREEFZKCVMIA-UHFFFAOYSA-N 1 2 223.255 1.273 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(COC)[nH]1)C1CCC1 ZINC000658155512 411268706 /nfs/dbraw/zinc/26/87/06/411268706.db2.gz APCUDAZBJGYNIG-JTQLQIEISA-N 1 2 238.335 1.619 20 0 BDADLO COCc1nnc(C[NH2+]C2CC(C)(C)C2)[nH]1 ZINC000658156964 411270417 /nfs/dbraw/zinc/27/04/17/411270417.db2.gz OCMBVKIBCCAVBF-UHFFFAOYSA-N 1 2 224.308 1.229 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1cncs1 ZINC000660158565 411270418 /nfs/dbraw/zinc/27/04/18/411270418.db2.gz ZVJWTTNFVLXQAS-QMMMGPOBSA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1cncs1 ZINC000660158565 411270423 /nfs/dbraw/zinc/27/04/23/411270423.db2.gz ZVJWTTNFVLXQAS-QMMMGPOBSA-N 1 2 230.358 1.053 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(COC)[nH]1)C1CC1 ZINC000658159006 411271154 /nfs/dbraw/zinc/27/11/54/411271154.db2.gz LZTWNWMTSHWZOW-VIFPVBQESA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+]C2CC(C(C)C)C2)[nH]1 ZINC000658157220 411271233 /nfs/dbraw/zinc/27/12/33/411271233.db2.gz PMQLAXXDLDGHNT-UHFFFAOYSA-N 1 2 238.335 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC2(C)C)[nH]1 ZINC000658157267 411271340 /nfs/dbraw/zinc/27/13/40/411271340.db2.gz RHANOKMWDXYLAV-QMMMGPOBSA-N 1 2 224.308 1.229 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1CC1CCCC1 ZINC000656451080 411273771 /nfs/dbraw/zinc/27/37/71/411273771.db2.gz KREPAZQBTDOUDG-GFCCVEGCSA-N 1 2 236.319 1.129 20 0 BDADLO CCCC[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658160677 411274211 /nfs/dbraw/zinc/27/42/11/411274211.db2.gz HYNOLSYAPVNDHQ-SECBINFHSA-N 1 2 226.324 1.619 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC12CCCC2 ZINC000652568754 411274423 /nfs/dbraw/zinc/27/44/23/411274423.db2.gz RIUMJTUZWHBNRT-UHFFFAOYSA-N 1 2 233.315 1.887 20 0 BDADLO CCC[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658161590 411274750 /nfs/dbraw/zinc/27/47/50/411274750.db2.gz NGCOQZWMUVVJBA-MRVPVSSYSA-N 1 2 212.297 1.229 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655717030 411274853 /nfs/dbraw/zinc/27/48/53/411274853.db2.gz SQHVVJJSTOMCAR-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000658168148 411278168 /nfs/dbraw/zinc/27/81/68/411278168.db2.gz HEJSOSSODMCAIB-XVKPBYJWSA-N 1 2 245.273 1.793 20 0 BDADLO CCn1ccnc1C[NH+]1CC2(C1)CCCOC2 ZINC000656684829 411328243 /nfs/dbraw/zinc/32/82/43/411328243.db2.gz PSMLINNUHFNBPX-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CC(C)C1(C)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000426734661 411282528 /nfs/dbraw/zinc/28/25/28/411282528.db2.gz QUVZZJVHEBFXEJ-UHFFFAOYSA-N 1 2 238.335 1.768 20 0 BDADLO C[C@@H](O)C[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000656496811 411288074 /nfs/dbraw/zinc/28/80/74/411288074.db2.gz ZIULTLDCZZPZDH-NXEZZACHSA-N 1 2 247.298 1.768 20 0 BDADLO CC1(C)CC(CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000340193312 167886543 /nfs/dbraw/zinc/88/65/43/167886543.db2.gz YSENKQLLLQHUBD-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccco1 ZINC000660204788 411297368 /nfs/dbraw/zinc/29/73/68/411297368.db2.gz OZDRCLVXZTXYIT-UHFFFAOYSA-N 1 2 234.259 1.344 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccco1 ZINC000660204788 411297369 /nfs/dbraw/zinc/29/73/69/411297369.db2.gz OZDRCLVXZTXYIT-UHFFFAOYSA-N 1 2 234.259 1.344 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3ccccc3n2)CCO1 ZINC000659811031 411298344 /nfs/dbraw/zinc/29/83/44/411298344.db2.gz HWMQAPVFPZMXNQ-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3n2)CCO1 ZINC000659811031 411298345 /nfs/dbraw/zinc/29/83/45/411298345.db2.gz HWMQAPVFPZMXNQ-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO CN(C)c1ncc(C[NH+]2CC(C(F)F)C2)s1 ZINC000656690165 411330075 /nfs/dbraw/zinc/33/00/75/411330075.db2.gz DMAHTWHFGGVLFZ-UHFFFAOYSA-N 1 2 247.314 1.906 20 0 BDADLO Cc1cc(CN2CCn3c[nH+]cc3C2)on1 ZINC000660578117 411330164 /nfs/dbraw/zinc/33/01/64/411330164.db2.gz JSUYMTSDMQQRNQ-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CCCCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660245467 411305122 /nfs/dbraw/zinc/30/51/22/411305122.db2.gz RGXFXJMRZNOACE-UHFFFAOYSA-N 1 2 224.308 1.741 20 0 BDADLO CCCCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660245467 411305124 /nfs/dbraw/zinc/30/51/24/411305124.db2.gz RGXFXJMRZNOACE-UHFFFAOYSA-N 1 2 224.308 1.741 20 0 BDADLO CC[C@@H](SC)C(=O)NC1C[NH+](C(C)C)C1 ZINC000357704681 411308241 /nfs/dbraw/zinc/30/82/41/411308241.db2.gz FDBHGZBXTQRSNM-SNVBAGLBSA-N 1 2 230.377 1.337 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000656621230 411311698 /nfs/dbraw/zinc/31/16/98/411311698.db2.gz LXKFJYSPLRFYNL-UHFFFAOYSA-N 1 2 243.310 1.488 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccn(C)n1 ZINC000336711235 411332092 /nfs/dbraw/zinc/33/20/92/411332092.db2.gz LTTJWOVBTPWIFI-CYBMUJFWSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccn(C)n1 ZINC000336711235 411332096 /nfs/dbraw/zinc/33/20/96/411332096.db2.gz LTTJWOVBTPWIFI-CYBMUJFWSA-N 1 2 237.347 1.667 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C[C@@H](C)O)C1CC1 ZINC000654025353 411318734 /nfs/dbraw/zinc/31/87/34/411318734.db2.gz FGWZMXUOBNEYPS-SNVBAGLBSA-N 1 2 249.314 1.189 20 0 BDADLO Oc1ccc(C[NH+]2CC(OCC(F)F)C2)cc1 ZINC000656678349 411323151 /nfs/dbraw/zinc/32/31/51/411323151.db2.gz DWGYKFINXQGRQD-UHFFFAOYSA-N 1 2 243.253 1.858 20 0 BDADLO CC1(C)CC[C@@H](CN2CCn3cc[nH+]c3C2)O1 ZINC000334143612 167925823 /nfs/dbraw/zinc/92/58/23/167925823.db2.gz DWESHCXAPJAARD-NSHDSACASA-N 1 2 235.331 1.656 20 0 BDADLO CC(C)c1nnc(CN(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000660141089 411256596 /nfs/dbraw/zinc/25/65/96/411256596.db2.gz FCOQUGPLGMOEJS-UHFFFAOYSA-N 1 2 234.307 1.283 20 0 BDADLO CC1(CO)C[NH+](Cc2[nH]nc3ccccc32)C1 ZINC000656775818 411357014 /nfs/dbraw/zinc/35/70/14/411357014.db2.gz XPHJHMVLBXGUBD-UHFFFAOYSA-N 1 2 231.299 1.377 20 0 BDADLO CC1(CO)C[NH+](Cc2n[nH]c3ccccc32)C1 ZINC000656775818 411357018 /nfs/dbraw/zinc/35/70/18/411357018.db2.gz XPHJHMVLBXGUBD-UHFFFAOYSA-N 1 2 231.299 1.377 20 0 BDADLO COC(C[N@@H+]1CCC[C@@H]1c1ncc[nH]1)OC ZINC000372907064 411340282 /nfs/dbraw/zinc/34/02/82/411340282.db2.gz VUHOXJXMTNVSCM-SECBINFHSA-N 1 2 225.292 1.166 20 0 BDADLO COC(C[N@H+]1CCC[C@@H]1c1ncc[nH]1)OC ZINC000372907064 411340285 /nfs/dbraw/zinc/34/02/85/411340285.db2.gz VUHOXJXMTNVSCM-SECBINFHSA-N 1 2 225.292 1.166 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661975541 411340880 /nfs/dbraw/zinc/34/08/80/411340880.db2.gz XYDDAIKXQIEQRE-IUCAKERBSA-N 1 2 206.293 1.209 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661975541 411340885 /nfs/dbraw/zinc/34/08/85/411340885.db2.gz XYDDAIKXQIEQRE-IUCAKERBSA-N 1 2 206.293 1.209 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccnn1C ZINC000658336831 411344824 /nfs/dbraw/zinc/34/48/24/411344824.db2.gz AJCYDTYCXVSMPH-ZJUUUORDSA-N 1 2 233.319 1.565 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccn(C)n1 ZINC000658336165 411344980 /nfs/dbraw/zinc/34/49/80/411344980.db2.gz OOHKECPSAWORMJ-WDEREUQCSA-N 1 2 247.346 1.956 20 0 BDADLO CC1(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282739997 168018035 /nfs/dbraw/zinc/01/80/35/168018035.db2.gz JEMVWSUQZUEDRO-NSCUHMNNSA-N 1 2 219.288 1.729 20 0 BDADLO CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC000280516237 168055290 /nfs/dbraw/zinc/05/52/90/168055290.db2.gz HGMIAPUGFURBBF-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC000280516237 168055295 /nfs/dbraw/zinc/05/52/95/168055295.db2.gz HGMIAPUGFURBBF-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CC1(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000366084621 168058578 /nfs/dbraw/zinc/05/85/78/168058578.db2.gz GYVYJGOPDCBIFJ-SECBINFHSA-N 1 2 248.330 1.509 20 0 BDADLO CC1(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000366084621 168058580 /nfs/dbraw/zinc/05/85/80/168058580.db2.gz GYVYJGOPDCBIFJ-SECBINFHSA-N 1 2 248.330 1.509 20 0 BDADLO CC1=C(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCO1 ZINC000270059572 168079431 /nfs/dbraw/zinc/07/94/31/168079431.db2.gz UCOQECAHUOEFLH-SNVBAGLBSA-N 1 2 249.314 1.472 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC=C(C)C2)n(C)n1 ZINC000280948261 168098592 /nfs/dbraw/zinc/09/85/92/168098592.db2.gz XBTZWJLZPGQMOL-UHFFFAOYSA-N 1 2 248.330 1.319 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC=C(C)C2)n(C)n1 ZINC000280948261 168098593 /nfs/dbraw/zinc/09/85/93/168098593.db2.gz XBTZWJLZPGQMOL-UHFFFAOYSA-N 1 2 248.330 1.319 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cc2csnn2)C1 ZINC000336577773 168127941 /nfs/dbraw/zinc/12/79/41/168127941.db2.gz WRWLFHMQDVAWKM-QMMMGPOBSA-N 1 2 209.318 1.936 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cc2csnn2)C1 ZINC000336577773 168127943 /nfs/dbraw/zinc/12/79/43/168127943.db2.gz WRWLFHMQDVAWKM-QMMMGPOBSA-N 1 2 209.318 1.936 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000336292355 168128193 /nfs/dbraw/zinc/12/81/93/168128193.db2.gz WQENXQYEYVQPOQ-QMMMGPOBSA-N 1 2 207.277 1.776 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000336292355 168128195 /nfs/dbraw/zinc/12/81/95/168128195.db2.gz WQENXQYEYVQPOQ-QMMMGPOBSA-N 1 2 207.277 1.776 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230589 411381496 /nfs/dbraw/zinc/38/14/96/411381496.db2.gz BVXKXKJZRDJNQP-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230589 411381498 /nfs/dbraw/zinc/38/14/98/411381498.db2.gz BVXKXKJZRDJNQP-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000336594214 168176676 /nfs/dbraw/zinc/17/66/76/168176676.db2.gz WKWHGYDDXGIPKV-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO COc1cc(C[N@@H+]2CCSC[C@H]2C)on1 ZINC000659944450 411388068 /nfs/dbraw/zinc/38/80/68/411388068.db2.gz KPFMENDMBUAEEB-MRVPVSSYSA-N 1 2 228.317 1.621 20 0 BDADLO COc1cc(C[N@H+]2CCSC[C@H]2C)on1 ZINC000659944450 411388075 /nfs/dbraw/zinc/38/80/75/411388075.db2.gz KPFMENDMBUAEEB-MRVPVSSYSA-N 1 2 228.317 1.621 20 0 BDADLO CC1CC[NH+](Cc2ncnn2CC(F)F)CC1 ZINC000362953405 168184598 /nfs/dbraw/zinc/18/45/98/168184598.db2.gz ANPLZGRNWKKVPL-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO CCC(=CC(=O)NCc1[nH+]ccn1C)CC ZINC000268234366 168194942 /nfs/dbraw/zinc/19/49/42/168194942.db2.gz BSSDBIYSOIXTOR-UHFFFAOYSA-N 1 2 221.304 1.783 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CCn2cccn2)[nH]1 ZINC000659919646 411382758 /nfs/dbraw/zinc/38/27/58/411382758.db2.gz RVWQFMBXSIKMAS-JTQLQIEISA-N 1 2 248.334 1.257 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CCn2cccn2)[nH]1 ZINC000659919646 411382760 /nfs/dbraw/zinc/38/27/60/411382760.db2.gz RVWQFMBXSIKMAS-JTQLQIEISA-N 1 2 248.334 1.257 20 0 BDADLO CCC(C)(C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000330979114 168273352 /nfs/dbraw/zinc/27/33/52/168273352.db2.gz PZVDGIZQGQKBJX-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CCC(C)(C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000358420613 168286367 /nfs/dbraw/zinc/28/63/67/168286367.db2.gz CGZJZNNGZBEXAD-UHFFFAOYSA-N 1 2 248.330 1.643 20 0 BDADLO CCC(C)(C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000358420613 168286370 /nfs/dbraw/zinc/28/63/70/168286370.db2.gz CGZJZNNGZBEXAD-UHFFFAOYSA-N 1 2 248.330 1.643 20 0 BDADLO FC(F)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000656916355 411387773 /nfs/dbraw/zinc/38/77/73/411387773.db2.gz MDHRRFHIQNYDBZ-DTWKUNHWSA-N 1 2 217.259 1.752 20 0 BDADLO FC(F)C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000656916355 411387776 /nfs/dbraw/zinc/38/77/76/411387776.db2.gz MDHRRFHIQNYDBZ-DTWKUNHWSA-N 1 2 217.259 1.752 20 0 BDADLO CCC(C)(C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279141465 168291286 /nfs/dbraw/zinc/29/12/86/168291286.db2.gz DEAOIVVPXPUZIR-UHFFFAOYSA-N 1 2 209.293 1.565 20 0 BDADLO Cc1csc(CNCc2c[nH+]c3n2CCC3)n1 ZINC000657302057 411455928 /nfs/dbraw/zinc/45/59/28/411455928.db2.gz SOCDRZFOKRZKQC-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO OC[C@@H]([NH2+]Cc1cnc[nH]1)c1cccc(F)c1 ZINC000582820482 411399739 /nfs/dbraw/zinc/39/97/39/411399739.db2.gz COPICBXAVWUWID-GFCCVEGCSA-N 1 2 235.262 1.372 20 0 BDADLO CC(C)(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000287261568 411461542 /nfs/dbraw/zinc/46/15/42/411461542.db2.gz UNSMLDGPHLGUBM-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405049697 411415807 /nfs/dbraw/zinc/41/58/07/411415807.db2.gz AWFXQAZHVHOAPA-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405049697 411415809 /nfs/dbraw/zinc/41/58/09/411415809.db2.gz AWFXQAZHVHOAPA-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609325 411439137 /nfs/dbraw/zinc/43/91/37/411439137.db2.gz HXLLCXOICBSWAN-KXUCPTDWSA-N 1 2 238.310 1.800 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609325 411439140 /nfs/dbraw/zinc/43/91/40/411439140.db2.gz HXLLCXOICBSWAN-KXUCPTDWSA-N 1 2 238.310 1.800 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccno1 ZINC000275476184 411440274 /nfs/dbraw/zinc/44/02/74/411440274.db2.gz YUZYMLKMOQJIOC-LBPRGKRZSA-N 1 2 237.303 1.165 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccno1 ZINC000275476184 411440280 /nfs/dbraw/zinc/44/02/80/411440280.db2.gz YUZYMLKMOQJIOC-LBPRGKRZSA-N 1 2 237.303 1.165 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000657287466 411446747 /nfs/dbraw/zinc/44/67/47/411446747.db2.gz NDBPWGQSRZXSGG-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)O)ccn12 ZINC000654809936 411448452 /nfs/dbraw/zinc/44/84/52/411448452.db2.gz VKKISZULHPSKDF-JTQLQIEISA-N 1 2 247.298 1.143 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000653625535 411450499 /nfs/dbraw/zinc/45/04/99/411450499.db2.gz IJFRTJHEODNGQJ-GHMZBOCLSA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000653625535 411450503 /nfs/dbraw/zinc/45/05/03/411450503.db2.gz IJFRTJHEODNGQJ-GHMZBOCLSA-N 1 2 249.362 1.803 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1CC1 ZINC000654840082 411452946 /nfs/dbraw/zinc/45/29/46/411452946.db2.gz JPBQKCYJQGJHDU-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1CC1 ZINC000654840082 411452950 /nfs/dbraw/zinc/45/29/50/411452950.db2.gz JPBQKCYJQGJHDU-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cn(C(C)C)nc1C ZINC000281157723 411453439 /nfs/dbraw/zinc/45/34/39/411453439.db2.gz FVXATHAVNOOLRV-UHFFFAOYSA-N 1 2 238.335 1.080 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cn(C(C)C)nc1C ZINC000281157723 411453442 /nfs/dbraw/zinc/45/34/42/411453442.db2.gz FVXATHAVNOOLRV-UHFFFAOYSA-N 1 2 238.335 1.080 20 0 BDADLO C[N@H+](CC(=O)c1ccccc1F)C(C)(C)CO ZINC000126745953 411454134 /nfs/dbraw/zinc/45/41/34/411454134.db2.gz ZTRYOPHMOLVNQE-UHFFFAOYSA-N 1 2 239.290 1.711 20 0 BDADLO C[N@@H+](CC(=O)c1ccccc1F)C(C)(C)CO ZINC000126745953 411454136 /nfs/dbraw/zinc/45/41/36/411454136.db2.gz ZTRYOPHMOLVNQE-UHFFFAOYSA-N 1 2 239.290 1.711 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc(C2CC2)no1 ZINC000659830370 411467165 /nfs/dbraw/zinc/46/71/65/411467165.db2.gz DWVOWSSPKXGCNX-UHFFFAOYSA-N 1 2 237.303 1.072 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000659830370 411467166 /nfs/dbraw/zinc/46/71/66/411467166.db2.gz DWVOWSSPKXGCNX-UHFFFAOYSA-N 1 2 237.303 1.072 20 0 BDADLO CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCSC1 ZINC000654962976 411467390 /nfs/dbraw/zinc/46/73/90/411467390.db2.gz FLAHYONMPTZRPS-SNVBAGLBSA-N 1 2 242.388 1.292 20 0 BDADLO Cc1nnc(C[NH2+]C2(c3ccccc3)CC2)[nH]1 ZINC000293054851 411471413 /nfs/dbraw/zinc/47/14/13/411471413.db2.gz GAUXTXYVAIKKQX-UHFFFAOYSA-N 1 2 228.299 1.892 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cn(C)cn1 ZINC000659840388 411471926 /nfs/dbraw/zinc/47/19/26/411471926.db2.gz FDMUZIQOZRMVOO-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cn(C)cn1 ZINC000659840388 411471930 /nfs/dbraw/zinc/47/19/30/411471930.db2.gz FDMUZIQOZRMVOO-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO Oc1cccc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000657341208 411473448 /nfs/dbraw/zinc/47/34/48/411473448.db2.gz PHGGSFDSTUZTGL-UHFFFAOYSA-N 1 2 243.310 1.825 20 0 BDADLO CC[C@H](NC(=O)c1ccc(OC)o1)c1[nH]cc[nH+]1 ZINC000655003264 411474442 /nfs/dbraw/zinc/47/44/42/411474442.db2.gz QYGNPQYXMAPJQP-QMMMGPOBSA-N 1 2 249.270 1.892 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000659844695 411474557 /nfs/dbraw/zinc/47/45/57/411474557.db2.gz FNUQHTAABSMERW-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000659844695 411474560 /nfs/dbraw/zinc/47/45/60/411474560.db2.gz FNUQHTAABSMERW-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1c[nH]c(C[NH2+]C(C)(C)c2cnn(C)c2)n1 ZINC000657376741 411486313 /nfs/dbraw/zinc/48/63/13/411486313.db2.gz URZGHFVUEQKJTB-UHFFFAOYSA-N 1 2 233.319 1.477 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H]2CCc3cn[nH]c3C2)n1 ZINC000657394025 411492028 /nfs/dbraw/zinc/49/20/28/411492028.db2.gz IQXFIVXFUIXOKX-JTQLQIEISA-N 1 2 231.303 1.088 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C(F)(F)F)CC2)c[nH+]1 ZINC000655095347 411494198 /nfs/dbraw/zinc/49/41/98/411494198.db2.gz XTOXDRRZJFPIKP-UHFFFAOYSA-N 1 2 233.193 1.543 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H]2CCCc3cn[nH]c32)n1 ZINC000657398656 411494739 /nfs/dbraw/zinc/49/47/39/411494739.db2.gz DFPMGGAPBBZLKW-SNVBAGLBSA-N 1 2 231.303 1.608 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000660423725 411498426 /nfs/dbraw/zinc/49/84/26/411498426.db2.gz UZNIYTLHNQPDRM-WOPDTQHZSA-N 1 2 248.330 1.323 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCC(C)(F)F ZINC000655126588 411500068 /nfs/dbraw/zinc/50/00/68/411500068.db2.gz FLEPKYOZKVUZKS-UHFFFAOYSA-N 1 2 245.273 1.955 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000655139156 411503858 /nfs/dbraw/zinc/50/38/58/411503858.db2.gz GTYQCSLVABVOGC-CDMKHQONSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000655139156 411503860 /nfs/dbraw/zinc/50/38/60/411503860.db2.gz GTYQCSLVABVOGC-CDMKHQONSA-N 1 2 247.342 1.751 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](CO)c2ccsc2)n1 ZINC000657438115 411510030 /nfs/dbraw/zinc/51/00/30/411510030.db2.gz IQXQOBIBQKZLTP-SNVBAGLBSA-N 1 2 237.328 1.603 20 0 BDADLO COc1cc(NCc2[nH]cc(C)[nH+]2)nn1C ZINC000657437186 411510196 /nfs/dbraw/zinc/51/01/96/411510196.db2.gz RAYCMYCNNZMYPS-UHFFFAOYSA-N 1 2 221.264 1.072 20 0 BDADLO Cc1nc(C[N@@H+](C)Cc2cnn(C)c2C)c(C)o1 ZINC000660442603 411511608 /nfs/dbraw/zinc/51/16/08/411511608.db2.gz XOYNEBHBYSSCSF-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO Cc1nc(C[N@H+](C)Cc2cnn(C)c2C)c(C)o1 ZINC000660442603 411511609 /nfs/dbraw/zinc/51/16/09/411511609.db2.gz XOYNEBHBYSSCSF-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO CC(C)c1nc(NCC[C@@H](O)C(C)C)cc[nH+]1 ZINC000608088012 411512108 /nfs/dbraw/zinc/51/21/08/411512108.db2.gz GGHFDTKPXHBPEJ-LLVKDONJSA-N 1 2 237.347 1.841 20 0 BDADLO CC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655800125 411517763 /nfs/dbraw/zinc/51/77/63/411517763.db2.gz YGUNIROMANCCQJ-BDAKNGLRSA-N 1 2 224.308 1.544 20 0 BDADLO CC(C)n1cc[nH+]c1CNCC(F)F ZINC000657463411 411518787 /nfs/dbraw/zinc/51/87/87/411518787.db2.gz BLBOBZXMSLVXBT-UHFFFAOYSA-N 1 2 203.236 1.819 20 0 BDADLO CC[NH+]1CCN(C(=O)c2cc(C)cs2)CC1 ZINC000082312054 169987048 /nfs/dbraw/zinc/98/70/48/169987048.db2.gz LWMPWBJJFONXDD-UHFFFAOYSA-N 1 2 238.356 1.834 20 0 BDADLO CC/C=C\C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657479935 411527888 /nfs/dbraw/zinc/52/78/88/411527888.db2.gz OUSCCIYBZRBFLN-SREVYHEPSA-N 1 2 223.324 1.484 20 0 BDADLO CCN1OC[C@H]([N@H+](C)Cc2cccs2)C1=O ZINC000659825648 411465169 /nfs/dbraw/zinc/46/51/69/411465169.db2.gz DMIVFPAVJRSQGJ-JTQLQIEISA-N 1 2 240.328 1.342 20 0 BDADLO CCN1OC[C@H]([N@@H+](C)Cc2cccs2)C1=O ZINC000659825648 411465171 /nfs/dbraw/zinc/46/51/71/411465171.db2.gz DMIVFPAVJRSQGJ-JTQLQIEISA-N 1 2 240.328 1.342 20 0 BDADLO CC[N@@H+]1C[C@H](NCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000309459703 170035638 /nfs/dbraw/zinc/03/56/38/170035638.db2.gz NNXOWCMBYWSQNR-STQMWFEESA-N 1 2 225.380 1.012 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cnc(C)s1 ZINC000098132375 170057496 /nfs/dbraw/zinc/05/74/96/170057496.db2.gz PQVMZSNBNSUWKY-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cnc(C)s1 ZINC000098132375 170057497 /nfs/dbraw/zinc/05/74/97/170057497.db2.gz PQVMZSNBNSUWKY-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCNC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000036780336 170065572 /nfs/dbraw/zinc/06/55/72/170065572.db2.gz YXSLNRQVKJTQEX-MRVPVSSYSA-N 1 2 242.269 1.752 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCO[C@H]1CC1(F)F ZINC000660137270 411543977 /nfs/dbraw/zinc/54/39/77/411543977.db2.gz NUWOMAGIENONRQ-VIFPVBQESA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000660137270 411543978 /nfs/dbraw/zinc/54/39/78/411543978.db2.gz NUWOMAGIENONRQ-VIFPVBQESA-N 1 2 245.273 1.276 20 0 BDADLO Cc1nc(C[NH2+][C@H](C(N)=O)C(C)(C)C)c(C)o1 ZINC000660090621 411535554 /nfs/dbraw/zinc/53/55/54/411535554.db2.gz HLCURXUBFSMTMK-SNVBAGLBSA-N 1 2 239.319 1.281 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC000038091564 170087935 /nfs/dbraw/zinc/08/79/35/170087935.db2.gz SHOIUUXYOKNNOK-MRVPVSSYSA-N 1 2 227.333 1.066 20 0 BDADLO CCNC(=O)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715258 170103050 /nfs/dbraw/zinc/10/30/50/170103050.db2.gz WFZSWWBIYDTDBM-UHFFFAOYSA-N 1 2 244.298 1.772 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2c[nH]nn2)C[C@@H]1F ZINC000660221115 411555102 /nfs/dbraw/zinc/55/51/02/411555102.db2.gz LZPLZMRCSZNANB-SCZZXKLOSA-N 1 2 212.272 1.027 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C[C@@H]1F ZINC000660221115 411555104 /nfs/dbraw/zinc/55/51/04/411555104.db2.gz LZPLZMRCSZNANB-SCZZXKLOSA-N 1 2 212.272 1.027 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1nc(C2CC2)nn1C ZINC000660141887 411545003 /nfs/dbraw/zinc/54/50/03/411545003.db2.gz KGNYOLQMQILFGB-UHFFFAOYSA-N 1 2 246.318 1.048 20 0 BDADLO CCN1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C1=O ZINC000660147104 411545432 /nfs/dbraw/zinc/54/54/32/411545432.db2.gz MHGBNWDYZSDBBZ-SECBINFHSA-N 1 2 244.285 1.338 20 0 BDADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000660144937 411545480 /nfs/dbraw/zinc/54/54/80/411545480.db2.gz IXHNFQWUQIMAGS-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000660144937 411545481 /nfs/dbraw/zinc/54/54/81/411545481.db2.gz IXHNFQWUQIMAGS-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cnn(C)c1 ZINC000112356399 170186354 /nfs/dbraw/zinc/18/63/54/170186354.db2.gz VXMLPKLLQHHKRF-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cnn(C)c1 ZINC000112356399 170186355 /nfs/dbraw/zinc/18/63/55/170186355.db2.gz VXMLPKLLQHHKRF-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOC(C)(C)C ZINC000121543803 170187596 /nfs/dbraw/zinc/18/75/96/170187596.db2.gz RLCRSMKDDLKUEQ-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CCCCO1 ZINC000121511667 170187723 /nfs/dbraw/zinc/18/77/23/170187723.db2.gz UXFOSGIABDBISZ-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)CC[NH2+]C(CC)(CC)C(=O)OC ZINC000338347873 170209236 /nfs/dbraw/zinc/20/92/36/170209236.db2.gz CYRLNDGMYCUYPX-UHFFFAOYSA-N 1 2 245.319 1.261 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2cnccn2)CC1 ZINC000364963398 170218930 /nfs/dbraw/zinc/21/89/30/170218930.db2.gz OXNDPALYMDZQDL-UHFFFAOYSA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364796978 170220396 /nfs/dbraw/zinc/22/03/96/170220396.db2.gz IRJXHFVUFBFTQH-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364796978 170220398 /nfs/dbraw/zinc/22/03/98/170220398.db2.gz IRJXHFVUFBFTQH-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000341874187 170221727 /nfs/dbraw/zinc/22/17/27/170221727.db2.gz IPPFRORUCHEMPV-LBPRGKRZSA-N 1 2 219.284 1.997 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000341874187 170221728 /nfs/dbraw/zinc/22/17/28/170221728.db2.gz IPPFRORUCHEMPV-LBPRGKRZSA-N 1 2 219.284 1.997 20 0 BDADLO CCOC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000070242073 170240342 /nfs/dbraw/zinc/24/03/42/170240342.db2.gz PCSYSGZPYOBZAD-UHFFFAOYSA-N 1 2 249.314 1.356 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](C[C@@H]1CCC[C@@H](O)C1)CC2 ZINC000660240412 411558189 /nfs/dbraw/zinc/55/81/89/411558189.db2.gz CXTDLCJCPPNMJC-CHWSQXEVSA-N 1 2 249.358 1.558 20 0 BDADLO Cc1cn2c(n1)C[N@H+](C[C@@H]1CCC[C@@H](O)C1)CC2 ZINC000660240412 411558190 /nfs/dbraw/zinc/55/81/90/411558190.db2.gz CXTDLCJCPPNMJC-CHWSQXEVSA-N 1 2 249.358 1.558 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@H]1CCCO1 ZINC000037957730 170250030 /nfs/dbraw/zinc/25/00/30/170250030.db2.gz ADZWNNBZYJQMRO-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](O)C1 ZINC000172259550 170256303 /nfs/dbraw/zinc/25/63/03/170256303.db2.gz GIRSHDOAOQSHGR-QWHCGFSZSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](O)C1 ZINC000172259550 170256305 /nfs/dbraw/zinc/25/63/05/170256305.db2.gz GIRSHDOAOQSHGR-QWHCGFSZSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000362263356 170257771 /nfs/dbraw/zinc/25/77/71/170257771.db2.gz SYXBAJJZGPPYQI-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cnccc1C ZINC000362263356 170257773 /nfs/dbraw/zinc/25/77/73/170257773.db2.gz SYXBAJJZGPPYQI-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000092432409 170258536 /nfs/dbraw/zinc/25/85/36/170258536.db2.gz VTFSYUJXSTZOMH-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000092432409 170258539 /nfs/dbraw/zinc/25/85/39/170258539.db2.gz VTFSYUJXSTZOMH-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000043638705 170265288 /nfs/dbraw/zinc/26/52/88/170265288.db2.gz WJIPWOWIEWKTNP-VIFPVBQESA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000043638705 170265289 /nfs/dbraw/zinc/26/52/89/170265289.db2.gz WJIPWOWIEWKTNP-VIFPVBQESA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC000094919575 170266812 /nfs/dbraw/zinc/26/68/12/170266812.db2.gz FOAQZUPBBKZZFO-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000094919575 170266813 /nfs/dbraw/zinc/26/68/13/170266813.db2.gz FOAQZUPBBKZZFO-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000049371593 170267103 /nfs/dbraw/zinc/26/71/03/170267103.db2.gz DKIJPUILPKKPIB-JTQLQIEISA-N 1 2 233.311 1.695 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000041391929 170267869 /nfs/dbraw/zinc/26/78/69/170267869.db2.gz AIAHGZCCZZMOEU-NSHDSACASA-N 1 2 233.311 1.996 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000041391929 170267870 /nfs/dbraw/zinc/26/78/70/170267870.db2.gz AIAHGZCCZZMOEU-NSHDSACASA-N 1 2 233.311 1.996 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000336782394 170268664 /nfs/dbraw/zinc/26/86/64/170268664.db2.gz XMGPPBBOTBXMFY-DCAQKATOSA-N 1 2 229.320 1.079 20 0 BDADLO CC[N@H+](CC(F)F)C[C@H](OC)[C@@H]1CCOC1 ZINC000660274385 411563160 /nfs/dbraw/zinc/56/31/60/411563160.db2.gz QKHXAWSEEZQFOG-ZJUUUORDSA-N 1 2 237.290 1.625 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@H](OC)[C@@H]1CCOC1 ZINC000660274385 411563161 /nfs/dbraw/zinc/56/31/61/411563161.db2.gz QKHXAWSEEZQFOG-ZJUUUORDSA-N 1 2 237.290 1.625 20 0 BDADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000172274431 170279269 /nfs/dbraw/zinc/27/92/69/170279269.db2.gz GIRSHDOAOQSHGR-OLZOCXBDSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](O)C1 ZINC000172274431 170279271 /nfs/dbraw/zinc/27/92/71/170279271.db2.gz GIRSHDOAOQSHGR-OLZOCXBDSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050814850 170281511 /nfs/dbraw/zinc/28/15/11/170281511.db2.gz NEZQMBSOWMIKIK-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N)nc1 ZINC000050814850 170281512 /nfs/dbraw/zinc/28/15/12/170281512.db2.gz NEZQMBSOWMIKIK-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2ccccc2C)n1 ZINC000657604753 411563842 /nfs/dbraw/zinc/56/38/42/411563842.db2.gz HGKLDWKPWBZCAT-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO COCc1nnc(C[NH2+]Cc2ccccc2C)[nH]1 ZINC000657604753 411563844 /nfs/dbraw/zinc/56/38/44/411563844.db2.gz HGKLDWKPWBZCAT-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660276639 411564258 /nfs/dbraw/zinc/56/42/58/411564258.db2.gz FKJBZADJEOFYGH-JTQLQIEISA-N 1 2 222.336 1.715 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)CC1(C)C ZINC000660276639 411564259 /nfs/dbraw/zinc/56/42/59/411564259.db2.gz FKJBZADJEOFYGH-JTQLQIEISA-N 1 2 222.336 1.715 20 0 BDADLO CCOC1C[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000297543723 170336284 /nfs/dbraw/zinc/33/62/84/170336284.db2.gz YTUWWKPVVXCVTR-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO CCOCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266141154 170363456 /nfs/dbraw/zinc/36/34/56/170363456.db2.gz HCZGHVWCPLGIEH-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO CCOCC[N@H+](C)Cc1ncc(C)cn1 ZINC000357556535 170391605 /nfs/dbraw/zinc/39/16/05/170391605.db2.gz UYFSGPOUXDHABS-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncc(C)cn1 ZINC000357556535 170391607 /nfs/dbraw/zinc/39/16/07/170391607.db2.gz UYFSGPOUXDHABS-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO CCOCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338277376 170391846 /nfs/dbraw/zinc/39/18/46/170391846.db2.gz FFGUXPUSWODYOV-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338277376 170391848 /nfs/dbraw/zinc/39/18/48/170391848.db2.gz FFGUXPUSWODYOV-UHFFFAOYSA-N 1 2 240.351 1.501 20 0 BDADLO C[C@H](O)C[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660768241 411623578 /nfs/dbraw/zinc/62/35/78/411623578.db2.gz QZBHCFBAHUEELW-CMPLNLGQSA-N 1 2 246.314 1.207 20 0 BDADLO C[C@H](O)C[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660768241 411623581 /nfs/dbraw/zinc/62/35/81/411623581.db2.gz QZBHCFBAHUEELW-CMPLNLGQSA-N 1 2 246.314 1.207 20 0 BDADLO CCN1CC[C@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000660776498 411625984 /nfs/dbraw/zinc/62/59/84/411625984.db2.gz FQUADXLXCKJGOK-ZDUSSCGKSA-N 1 2 248.301 1.762 20 0 BDADLO CCN1CC[C@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000660776498 411625986 /nfs/dbraw/zinc/62/59/86/411625986.db2.gz FQUADXLXCKJGOK-ZDUSSCGKSA-N 1 2 248.301 1.762 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000660782213 411629385 /nfs/dbraw/zinc/62/93/85/411629385.db2.gz ZOWFTSWDXYWWDX-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO CCNC(=O)C1(CNc2cc[nH+]c(C)n2)CCC1 ZINC000487112163 411637567 /nfs/dbraw/zinc/63/75/67/411637567.db2.gz JVKGKJZCIQQBGB-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO C[C@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000663366439 411638590 /nfs/dbraw/zinc/63/85/90/411638590.db2.gz JGLDVOXOPDFGQN-QMMMGPOBSA-N 1 2 233.233 1.888 20 0 BDADLO Cc1nnc([C@@H]2CC[N@H+](Cc3coc(C)n3)C2)[nH]1 ZINC000660805108 411638862 /nfs/dbraw/zinc/63/88/62/411638862.db2.gz KMYAOCIYJXXIKY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3coc(C)n3)C2)[nH]1 ZINC000660805108 411638865 /nfs/dbraw/zinc/63/88/65/411638865.db2.gz KMYAOCIYJXXIKY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3coc(C)n3)C2)n1 ZINC000660805108 411638869 /nfs/dbraw/zinc/63/88/69/411638869.db2.gz KMYAOCIYJXXIKY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3coc(C)n3)C2)n1 ZINC000660805108 411638876 /nfs/dbraw/zinc/63/88/76/411638876.db2.gz KMYAOCIYJXXIKY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3coc(C)n3)C2)n[nH]1 ZINC000660805108 411638880 /nfs/dbraw/zinc/63/88/80/411638880.db2.gz KMYAOCIYJXXIKY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3coc(C)n3)C2)n[nH]1 ZINC000660805108 411638886 /nfs/dbraw/zinc/63/88/86/411638886.db2.gz KMYAOCIYJXXIKY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO O[C@@H]1C[N@H+](CC2CC=CC2)CC(F)(F)C1 ZINC000660389859 411578527 /nfs/dbraw/zinc/57/85/27/411578527.db2.gz AJBWJVBXWXGNMW-JTQLQIEISA-N 1 2 217.259 1.655 20 0 BDADLO O[C@@H]1C[N@@H+](CC2CC=CC2)CC(F)(F)C1 ZINC000660389859 411578529 /nfs/dbraw/zinc/57/85/29/411578529.db2.gz AJBWJVBXWXGNMW-JTQLQIEISA-N 1 2 217.259 1.655 20 0 BDADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)CCS1 ZINC000660413468 411581526 /nfs/dbraw/zinc/58/15/26/411581526.db2.gz QYLVIXPDDRTPJR-VIFPVBQESA-N 1 2 226.349 1.175 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)CCS1 ZINC000660413468 411581527 /nfs/dbraw/zinc/58/15/27/411581527.db2.gz QYLVIXPDDRTPJR-VIFPVBQESA-N 1 2 226.349 1.175 20 0 BDADLO Cc1ccc(CN(CCO)Cc2cn(C)c[nH+]2)o1 ZINC000660454083 411587419 /nfs/dbraw/zinc/58/74/19/411587419.db2.gz UUZNPZOJLJZLED-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO COC[C@H](C[N@@H+]1Cc2cccnc2C1)OC ZINC000660462789 411588878 /nfs/dbraw/zinc/58/88/78/411588878.db2.gz UQTKJGWLMGNHIC-NSHDSACASA-N 1 2 222.288 1.059 20 0 BDADLO COC[C@H](C[N@H+]1Cc2cccnc2C1)OC ZINC000660462789 411588881 /nfs/dbraw/zinc/58/88/81/411588881.db2.gz UQTKJGWLMGNHIC-NSHDSACASA-N 1 2 222.288 1.059 20 0 BDADLO C[C@@H](NC(=O)NCC(C)(C)C)c1[nH+]ccn1C ZINC000660462701 411589318 /nfs/dbraw/zinc/58/93/18/411589318.db2.gz UPBSJTNRDDOWIM-SECBINFHSA-N 1 2 238.335 1.826 20 0 BDADLO CN1CC[N@H+](Cc2cncs2)CC1(C)C ZINC000660464945 411589932 /nfs/dbraw/zinc/58/99/32/411589932.db2.gz GSRPBRWLCLFAGT-UHFFFAOYSA-N 1 2 225.361 1.669 20 0 BDADLO CN1CC[N@@H+](Cc2cncs2)CC1(C)C ZINC000660464945 411589933 /nfs/dbraw/zinc/58/99/33/411589933.db2.gz GSRPBRWLCLFAGT-UHFFFAOYSA-N 1 2 225.361 1.669 20 0 BDADLO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1nccn1C ZINC000657793983 411598906 /nfs/dbraw/zinc/59/89/06/411598906.db2.gz RYDZWFUBHAENPW-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO C[C@](CO)([NH2+]Cc1cc[nH]n1)c1cccc(O)c1 ZINC000660561082 411600184 /nfs/dbraw/zinc/60/01/84/411600184.db2.gz PZIJBPNICJADOS-CYBMUJFWSA-N 1 2 247.298 1.113 20 0 BDADLO Cc1ccnc(CN2CCn3c[nH+]cc3C2)c1 ZINC000660582176 411602879 /nfs/dbraw/zinc/60/28/79/411602879.db2.gz PVAXJZJLQAGFNF-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO C[C@@H](c1csnn1)N1CCn2c[nH+]cc2C1 ZINC000660583584 411604098 /nfs/dbraw/zinc/60/40/98/411604098.db2.gz KWMQOQPZPLXLGI-QMMMGPOBSA-N 1 2 235.316 1.311 20 0 BDADLO CC(C)(CO)[C@@H]([NH2+]CC(F)F)c1cccnc1 ZINC000660636744 411610255 /nfs/dbraw/zinc/61/02/55/411610255.db2.gz CIFDSQYTEZVTCQ-NSHDSACASA-N 1 2 244.285 1.996 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCCCCF)C1 ZINC000660729584 411619544 /nfs/dbraw/zinc/61/95/44/411619544.db2.gz ZWBHUPFCGABGQR-UHFFFAOYSA-N 1 2 237.340 1.245 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000660749612 411620518 /nfs/dbraw/zinc/62/05/18/411620518.db2.gz LPSHBRQIQPJUTM-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000660749612 411620519 /nfs/dbraw/zinc/62/05/19/411620519.db2.gz LPSHBRQIQPJUTM-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCSC1 ZINC000660767154 411622975 /nfs/dbraw/zinc/62/29/75/411622975.db2.gz PENVOLXOAAHZBB-QMMMGPOBSA-N 1 2 240.332 1.057 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCSC1 ZINC000660767154 411622977 /nfs/dbraw/zinc/62/29/77/411622977.db2.gz PENVOLXOAAHZBB-QMMMGPOBSA-N 1 2 240.332 1.057 20 0 BDADLO CC[N@H+](CCNc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000218126746 411649049 /nfs/dbraw/zinc/64/90/49/411649049.db2.gz WRDVJFCPOQSRTP-UHFFFAOYSA-N 1 2 249.314 1.676 20 0 BDADLO CC[N@@H+](CCNc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000218126746 411649052 /nfs/dbraw/zinc/64/90/52/411649052.db2.gz WRDVJFCPOQSRTP-UHFFFAOYSA-N 1 2 249.314 1.676 20 0 BDADLO OCC[C@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000660835425 411651415 /nfs/dbraw/zinc/65/14/15/411651415.db2.gz FTMQYWRARVLTJZ-JTQLQIEISA-N 1 2 241.360 1.523 20 0 BDADLO OCC[C@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000660835425 411651418 /nfs/dbraw/zinc/65/14/18/411651418.db2.gz FTMQYWRARVLTJZ-JTQLQIEISA-N 1 2 241.360 1.523 20 0 BDADLO C[N@H+](CC[C@H]1CCCCO1)Cc1n[nH]c(=O)o1 ZINC000660839584 411652921 /nfs/dbraw/zinc/65/29/21/411652921.db2.gz ATTDUJMYALHHTP-SECBINFHSA-N 1 2 241.291 1.166 20 0 BDADLO C[N@@H+](CC[C@H]1CCCCO1)Cc1n[nH]c(=O)o1 ZINC000660839584 411652923 /nfs/dbraw/zinc/65/29/23/411652923.db2.gz ATTDUJMYALHHTP-SECBINFHSA-N 1 2 241.291 1.166 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCC(C)(C)O1 ZINC000660845081 411655995 /nfs/dbraw/zinc/65/59/95/411655995.db2.gz IUOZGYOOABERQW-QMMMGPOBSA-N 1 2 241.291 1.165 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CCC(C)(C)O1 ZINC000660845081 411656001 /nfs/dbraw/zinc/65/60/01/411656001.db2.gz IUOZGYOOABERQW-QMMMGPOBSA-N 1 2 241.291 1.165 20 0 BDADLO Cc1nnsc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661090433 411699290 /nfs/dbraw/zinc/69/92/90/411699290.db2.gz PHYXOMZVJJOGSJ-UHFFFAOYSA-N 1 2 223.305 1.202 20 0 BDADLO Cc1nnsc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661090433 411699293 /nfs/dbraw/zinc/69/92/93/411699293.db2.gz PHYXOMZVJJOGSJ-UHFFFAOYSA-N 1 2 223.305 1.202 20 0 BDADLO Cc1nc(C)c(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000661089612 411699612 /nfs/dbraw/zinc/69/96/12/411699612.db2.gz DEIPUELMZBAJOC-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)n1 ZINC000661171284 411728784 /nfs/dbraw/zinc/72/87/84/411728784.db2.gz LWJFOWAAMAOGIP-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)n1 ZINC000661171284 411728786 /nfs/dbraw/zinc/72/87/86/411728786.db2.gz LWJFOWAAMAOGIP-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO C[C@@H](F)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661240249 411741401 /nfs/dbraw/zinc/74/14/01/411741401.db2.gz RTLAWCNMQQKABF-MRVPVSSYSA-N 1 2 228.271 1.299 20 0 BDADLO C[C@@H](F)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661240249 411741402 /nfs/dbraw/zinc/74/14/02/411741402.db2.gz RTLAWCNMQQKABF-MRVPVSSYSA-N 1 2 228.271 1.299 20 0 BDADLO CC/C=C\CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661263250 411745645 /nfs/dbraw/zinc/74/56/45/411745645.db2.gz ZVSUSIDKQPNIJH-OMMCCPJFSA-N 1 2 236.319 1.747 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cc1cn(C)nn1)CC2 ZINC000661371724 411757007 /nfs/dbraw/zinc/75/70/07/411757007.db2.gz NNEBLIXAWBZANE-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cc1cn(C)nn1)CC2 ZINC000661371724 411757011 /nfs/dbraw/zinc/75/70/11/411757011.db2.gz NNEBLIXAWBZANE-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1nc(N(C)C)nc(NCCn2cccc2)[nH+]1 ZINC000490075749 411766152 /nfs/dbraw/zinc/76/61/52/411766152.db2.gz ZEMCRLIKFMZQFS-UHFFFAOYSA-N 1 2 246.318 1.160 20 0 BDADLO Cc1nc(NCCn2cccc2)nc(N(C)C)[nH+]1 ZINC000490075749 411766161 /nfs/dbraw/zinc/76/61/61/411766161.db2.gz ZEMCRLIKFMZQFS-UHFFFAOYSA-N 1 2 246.318 1.160 20 0 BDADLO O[C@H]1CC[N@H+](CC2CCOCC2)CC1(F)F ZINC000661399108 411767019 /nfs/dbraw/zinc/76/70/19/411767019.db2.gz IZCUSGMNYHUGHX-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1CC[N@@H+](CC2CCOCC2)CC1(F)F ZINC000661399108 411767023 /nfs/dbraw/zinc/76/70/23/411767023.db2.gz IZCUSGMNYHUGHX-JTQLQIEISA-N 1 2 235.274 1.115 20 0 BDADLO Cc1nc(N(C)C)nc(NCc2ccccn2)[nH+]1 ZINC000489514934 411768636 /nfs/dbraw/zinc/76/86/36/411768636.db2.gz NHOIDIKVOAYASQ-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO Cc1nc(NCc2ccccn2)nc(N(C)C)[nH+]1 ZINC000489514934 411768639 /nfs/dbraw/zinc/76/86/39/411768639.db2.gz NHOIDIKVOAYASQ-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO O[C@H]1CC[N@H+](CC[C@@H]2CCOC2)CC1(F)F ZINC000661413906 411770537 /nfs/dbraw/zinc/77/05/37/411770537.db2.gz PVXWZUMTNXGHNM-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)CC1(F)F ZINC000661413906 411770539 /nfs/dbraw/zinc/77/05/39/411770539.db2.gz PVXWZUMTNXGHNM-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1CC[N@H+](CCC2CCC2)CC1(F)F ZINC000661413128 411771140 /nfs/dbraw/zinc/77/11/40/411771140.db2.gz MDDYPJLJDOXNFU-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC2CCC2)CC1(F)F ZINC000661413128 411771142 /nfs/dbraw/zinc/77/11/42/411771142.db2.gz MDDYPJLJDOXNFU-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661464076 411783972 /nfs/dbraw/zinc/78/39/72/411783972.db2.gz XXTJOKGCJLWYCF-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661464076 411783976 /nfs/dbraw/zinc/78/39/76/411783976.db2.gz XXTJOKGCJLWYCF-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511898 411793921 /nfs/dbraw/zinc/79/39/21/411793921.db2.gz JQQYERMWCYVMHN-STQMWFEESA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511898 411793928 /nfs/dbraw/zinc/79/39/28/411793928.db2.gz JQQYERMWCYVMHN-STQMWFEESA-N 1 2 248.301 1.851 20 0 BDADLO CCc1nc(CNc2cc(CO)cc(C)[nH+]2)n[nH]1 ZINC000663945492 411786269 /nfs/dbraw/zinc/78/62/69/411786269.db2.gz JUFFDGHYRKDHRN-UHFFFAOYSA-N 1 2 247.302 1.175 20 0 BDADLO Cc1nc(N[C@@H](C)[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000631495339 411786453 /nfs/dbraw/zinc/78/64/53/411786453.db2.gz ZGWZNWIVUWFVJG-YLWLKBPMSA-N 1 2 235.209 1.509 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515396 411791029 /nfs/dbraw/zinc/79/10/29/411791029.db2.gz YFQPNIFPAUJWOZ-KWQFWETISA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515396 411791035 /nfs/dbraw/zinc/79/10/35/411791035.db2.gz YFQPNIFPAUJWOZ-KWQFWETISA-N 1 2 222.263 1.446 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2c2cnccn2)[nH]1 ZINC000663695136 411724660 /nfs/dbraw/zinc/72/46/60/411724660.db2.gz SPQIFEHTDKSPRR-SNVBAGLBSA-N 1 2 229.287 1.931 20 0 BDADLO Cc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)nn1 ZINC000663701647 411726358 /nfs/dbraw/zinc/72/63/58/411726358.db2.gz PXPMKHGHNRLXRC-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)nn1 ZINC000663701647 411726362 /nfs/dbraw/zinc/72/63/62/411726362.db2.gz PXPMKHGHNRLXRC-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)on1 ZINC000661539801 411797681 /nfs/dbraw/zinc/79/76/81/411797681.db2.gz UBXHDFVJXKHXGI-RKDXNWHRSA-N 1 2 222.288 1.640 20 0 BDADLO COc1cc[nH+]c(CN2C[C@@H](C)C(=O)[C@H](C)C2)c1 ZINC000661548552 411800861 /nfs/dbraw/zinc/80/08/61/411800861.db2.gz BEUPDJLVFDFOGV-GHMZBOCLSA-N 1 2 248.326 1.747 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@@H]2COCCO2)o1 ZINC000661606418 411814124 /nfs/dbraw/zinc/81/41/24/411814124.db2.gz TTWVWJSDWFBINB-LLVKDONJSA-N 1 2 240.303 1.084 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@@H]2COCCO2)o1 ZINC000661606418 411814127 /nfs/dbraw/zinc/81/41/27/411814127.db2.gz TTWVWJSDWFBINB-LLVKDONJSA-N 1 2 240.303 1.084 20 0 BDADLO C[N@@H+](Cc1ccncc1F)C[C@@H]1COCCO1 ZINC000661615317 411818947 /nfs/dbraw/zinc/81/89/47/411818947.db2.gz ZMSCTLZCSWEHKO-LLVKDONJSA-N 1 2 240.278 1.068 20 0 BDADLO C[N@H+](Cc1ccncc1F)C[C@@H]1COCCO1 ZINC000661615317 411818952 /nfs/dbraw/zinc/81/89/52/411818952.db2.gz ZMSCTLZCSWEHKO-LLVKDONJSA-N 1 2 240.278 1.068 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661629317 411823577 /nfs/dbraw/zinc/82/35/77/411823577.db2.gz WFAIPVDRXRQBPC-LOKLDPHHSA-N 1 2 239.319 1.388 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661629317 411823579 /nfs/dbraw/zinc/82/35/79/411823579.db2.gz WFAIPVDRXRQBPC-LOKLDPHHSA-N 1 2 239.319 1.388 20 0 BDADLO CCn1ncnc1C[N@H+](C)CC1=CCCOC1 ZINC000661655572 411830534 /nfs/dbraw/zinc/83/05/34/411830534.db2.gz SCICSPBPAPDHJB-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CC1=CCCOC1 ZINC000661655572 411830536 /nfs/dbraw/zinc/83/05/36/411830536.db2.gz SCICSPBPAPDHJB-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)CC1=CCCOC1 ZINC000661655760 411830893 /nfs/dbraw/zinc/83/08/93/411830893.db2.gz TUKQXNGCDJLSSD-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)CC1=CCCOC1 ZINC000661655760 411830896 /nfs/dbraw/zinc/83/08/96/411830896.db2.gz TUKQXNGCDJLSSD-UHFFFAOYSA-N 1 2 249.314 1.726 20 0 BDADLO FCC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000661687788 411837349 /nfs/dbraw/zinc/83/73/49/411837349.db2.gz CLZPMYRJUOWKNY-SNVBAGLBSA-N 1 2 226.299 1.419 20 0 BDADLO FCC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000661687788 411837352 /nfs/dbraw/zinc/83/73/52/411837352.db2.gz CLZPMYRJUOWKNY-SNVBAGLBSA-N 1 2 226.299 1.419 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@H](CCF)C2)[nH]1 ZINC000661691909 411842455 /nfs/dbraw/zinc/84/24/55/411842455.db2.gz ZWNJOPMARNIBBE-MRVPVSSYSA-N 1 2 228.271 1.082 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](CCF)C2)[nH]1 ZINC000661691909 411842459 /nfs/dbraw/zinc/84/24/59/411842459.db2.gz ZWNJOPMARNIBBE-MRVPVSSYSA-N 1 2 228.271 1.082 20 0 BDADLO Cc1c[nH]nc1COCc1ccc[nH+]c1N ZINC000664101859 411854366 /nfs/dbraw/zinc/85/43/66/411854366.db2.gz ITNLXXDKXWGLMP-UHFFFAOYSA-N 1 2 218.260 1.412 20 0 BDADLO COCCC1CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000664194177 411886208 /nfs/dbraw/zinc/88/62/08/411886208.db2.gz RBWLSDNZLDNDRX-UHFFFAOYSA-N 1 2 246.314 1.739 20 0 BDADLO CC[C@@H](C)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664228518 411889747 /nfs/dbraw/zinc/88/97/47/411889747.db2.gz PASKKPWJAWNTBK-MRVPVSSYSA-N 1 2 248.334 1.794 20 0 BDADLO OC/C=C/CNc1cc(NCC2CC2)[nH+]cn1 ZINC000664235892 411891562 /nfs/dbraw/zinc/89/15/62/411891562.db2.gz KNYKTUAXVGVKGM-OWOJBTEDSA-N 1 2 234.303 1.259 20 0 BDADLO OC/C=C/CNc1cc(NCC2CC2)nc[nH+]1 ZINC000664235892 411891566 /nfs/dbraw/zinc/89/15/66/411891566.db2.gz KNYKTUAXVGVKGM-OWOJBTEDSA-N 1 2 234.303 1.259 20 0 BDADLO CCc1noc(C[NH2+][C@H]2C[C@H](O)C23CCC3)n1 ZINC000661835226 411899180 /nfs/dbraw/zinc/89/91/80/411899180.db2.gz APPBUQPTCQFDKH-IUCAKERBSA-N 1 2 237.303 1.025 20 0 BDADLO Cc1cc(N[C@@H](C)C2(CO)CC2)nc[nH+]1 ZINC000664273529 411907695 /nfs/dbraw/zinc/90/76/95/411907695.db2.gz WCQIULRADXMYGG-VIFPVBQESA-N 1 2 207.277 1.358 20 0 BDADLO CCn1cc(CNc2cc[nH+]c(C3CC3)n2)nn1 ZINC000664317966 411919615 /nfs/dbraw/zinc/91/96/15/411919615.db2.gz DDJMNTXLERFNPN-UHFFFAOYSA-N 1 2 244.302 1.578 20 0 BDADLO Cn1ncnc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661956287 411920843 /nfs/dbraw/zinc/92/08/43/411920843.db2.gz XJFULOUPRLIVJA-UHFFFAOYSA-N 1 2 248.330 1.150 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H](C)[C@H]1O ZINC000664353677 411929240 /nfs/dbraw/zinc/92/92/40/411929240.db2.gz QOGBCTBLSRKYNH-IAZYJMLFSA-N 1 2 206.289 1.535 20 0 BDADLO Cn1cc(C[NH+]2CCC(c3ccon3)CC2)nn1 ZINC000662047308 411965295 /nfs/dbraw/zinc/96/52/95/411965295.db2.gz BDSXPNWCLVNYSO-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631205571 411966910 /nfs/dbraw/zinc/96/69/10/411966910.db2.gz CHWMBPSKLWGYDK-VHSXEESVSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000631205571 411966915 /nfs/dbraw/zinc/96/69/15/411966915.db2.gz CHWMBPSKLWGYDK-VHSXEESVSA-N 1 2 249.318 1.132 20 0 BDADLO O=C1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)N1 ZINC000664475071 411968839 /nfs/dbraw/zinc/96/88/39/411968839.db2.gz LUPVJQAIJORNQB-VIFPVBQESA-N 1 2 232.287 1.045 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@]2(C)CC2(C)C)[nH+]1 ZINC000664551089 411982785 /nfs/dbraw/zinc/98/27/85/411982785.db2.gz RLIFXODOWPCCID-LBPRGKRZSA-N 1 2 235.335 1.847 20 0 BDADLO Cc1nc(N[C@@]2(C)CC2(C)C)nc(N(C)C)[nH+]1 ZINC000664551089 411982790 /nfs/dbraw/zinc/98/27/90/411982790.db2.gz RLIFXODOWPCCID-LBPRGKRZSA-N 1 2 235.335 1.847 20 0 BDADLO Cc1nc(N2CC[C@@H]3COC[C@H]3C2)cc[nH+]1 ZINC000664557443 411986828 /nfs/dbraw/zinc/98/68/28/411986828.db2.gz QVIZKHSXWXWLGG-GHMZBOCLSA-N 1 2 219.288 1.258 20 0 BDADLO CC1=CCCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000662100087 411987883 /nfs/dbraw/zinc/98/78/83/411987883.db2.gz WXGXBUGQGDMOLP-LLVKDONJSA-N 1 2 248.330 1.843 20 0 BDADLO Cc1cc(N2CCc3nccnc3C2)nc[nH+]1 ZINC000664592135 411992741 /nfs/dbraw/zinc/99/27/41/411992741.db2.gz PCYRTOOCEJLMEK-UHFFFAOYSA-N 1 2 227.271 1.138 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCc2nccnc2C1 ZINC000662123682 411993407 /nfs/dbraw/zinc/99/34/07/411993407.db2.gz CIYAAPXGCIXTRF-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCc2nccnc2C1 ZINC000662123682 411993412 /nfs/dbraw/zinc/99/34/12/411993412.db2.gz CIYAAPXGCIXTRF-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO c1cnc2c(n1)CC[N@@H+](CCOCC1CC1)C2 ZINC000662123686 411993964 /nfs/dbraw/zinc/99/39/64/411993964.db2.gz CLAIUGRORZVEIS-UHFFFAOYSA-N 1 2 233.315 1.261 20 0 BDADLO c1cnc2c(n1)CC[N@H+](CCOCC1CC1)C2 ZINC000662123686 411993966 /nfs/dbraw/zinc/99/39/66/411993966.db2.gz CLAIUGRORZVEIS-UHFFFAOYSA-N 1 2 233.315 1.261 20 0 BDADLO Cc1c(C[N@@H+]2CCc3nccnc3C2)cnn1C ZINC000662125136 411994275 /nfs/dbraw/zinc/99/42/75/411994275.db2.gz RWJXVZGIKFKWQY-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1c(C[N@H+]2CCc3nccnc3C2)cnn1C ZINC000662125136 411994277 /nfs/dbraw/zinc/99/42/77/411994277.db2.gz RWJXVZGIKFKWQY-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1nnc(CN(C)c2cc[nH+]c(C)n2)s1 ZINC000664636008 412001891 /nfs/dbraw/zinc/00/18/91/412001891.db2.gz HCJFLAAXDKICTL-UHFFFAOYSA-N 1 2 235.316 1.581 20 0 BDADLO OC[C@H]([NH2+]CCF)c1ccc(F)cc1F ZINC000662165262 412015173 /nfs/dbraw/zinc/01/51/73/412015173.db2.gz MFHSEBNYOQQLOK-JTQLQIEISA-N 1 2 219.206 1.557 20 0 BDADLO Cc1nc(N2CC[C@@]3(O)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000664423811 411951653 /nfs/dbraw/zinc/95/16/53/411951653.db2.gz KLOKHXVEONAKCS-WCQYABFASA-N 1 2 233.315 1.363 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000664439482 411958385 /nfs/dbraw/zinc/95/83/85/411958385.db2.gz NSLDGQWGEGRSBT-ZWNOBZJWSA-N 1 2 243.310 1.979 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662041907 411960849 /nfs/dbraw/zinc/96/08/49/411960849.db2.gz DSWFMFZPRDKWJJ-GFCCVEGCSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662041907 411960853 /nfs/dbraw/zinc/96/08/53/411960853.db2.gz DSWFMFZPRDKWJJ-GFCCVEGCSA-N 1 2 234.347 1.859 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@@H]1c1ccncc1 ZINC000664833410 412028737 /nfs/dbraw/zinc/02/87/37/412028737.db2.gz KZXMFLDUEJSJGH-NWDGAFQWSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)[C@@H]1c1ccncc1 ZINC000664833410 412028739 /nfs/dbraw/zinc/02/87/39/412028739.db2.gz KZXMFLDUEJSJGH-NWDGAFQWSA-N 1 2 245.326 1.353 20 0 BDADLO FC(F)(F)C[C@@H]1C[N@@H+]([C@H]2CCOC2)CCO1 ZINC000662228260 412032100 /nfs/dbraw/zinc/03/21/00/412032100.db2.gz WOMIMPYTKLZNLR-DTWKUNHWSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)C[C@@H]1C[N@H+]([C@H]2CCOC2)CCO1 ZINC000662228260 412032104 /nfs/dbraw/zinc/03/21/04/412032104.db2.gz WOMIMPYTKLZNLR-DTWKUNHWSA-N 1 2 239.237 1.429 20 0 BDADLO CC[C@H](O)Cc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664984916 412056756 /nfs/dbraw/zinc/05/67/56/412056756.db2.gz HOACJHJTZKRRSV-NSHDSACASA-N 1 2 247.298 1.677 20 0 BDADLO CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000292524222 171026918 /nfs/dbraw/zinc/02/69/18/171026918.db2.gz WMQBVPZXOVZWAX-VHSXEESVSA-N 1 2 237.303 1.794 20 0 BDADLO CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000292524222 171026920 /nfs/dbraw/zinc/02/69/20/171026920.db2.gz WMQBVPZXOVZWAX-VHSXEESVSA-N 1 2 237.303 1.794 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000276512996 171060232 /nfs/dbraw/zinc/06/02/32/171060232.db2.gz JGOBKTINPLGZCV-PGLGOXFNSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncc(OC)c2)CCO1 ZINC000290275882 171090351 /nfs/dbraw/zinc/09/03/51/171090351.db2.gz LXBKYCNAGPBDHY-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncc(OC)c2)CCO1 ZINC000290275882 171090355 /nfs/dbraw/zinc/09/03/55/171090355.db2.gz LXBKYCNAGPBDHY-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccc(N)n2)CCS1 ZINC000135110892 171092926 /nfs/dbraw/zinc/09/29/26/171092926.db2.gz BKAOJJXJEIVYOZ-SECBINFHSA-N 1 2 238.360 1.386 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccc(N)n2)CCS1 ZINC000135110892 171092927 /nfs/dbraw/zinc/09/29/27/171092927.db2.gz BKAOJJXJEIVYOZ-SECBINFHSA-N 1 2 238.360 1.386 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000115576922 171105707 /nfs/dbraw/zinc/10/57/07/171105707.db2.gz GGPMRQBAJAEDFD-GFCCVEGCSA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)NC1CCCC1 ZINC000115576922 171105709 /nfs/dbraw/zinc/10/57/09/171105709.db2.gz GGPMRQBAJAEDFD-GFCCVEGCSA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000356032926 171108224 /nfs/dbraw/zinc/10/82/24/171108224.db2.gz AJMZCVRTONSLSN-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(C)(C)C ZINC000356032926 171108225 /nfs/dbraw/zinc/10/82/25/171108225.db2.gz AJMZCVRTONSLSN-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC1CC1 ZINC000356476546 171110560 /nfs/dbraw/zinc/11/05/60/171110560.db2.gz UBFBTLODFOQKFH-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC1CC1 ZINC000356476546 171110561 /nfs/dbraw/zinc/11/05/61/171110561.db2.gz UBFBTLODFOQKFH-CMPLNLGQSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280654612 171137809 /nfs/dbraw/zinc/13/78/09/171137809.db2.gz WSKWONSVNNUWRQ-GMTAPVOTSA-N 1 2 236.319 1.369 20 0 BDADLO CC[C@@](C)([NH2+]CCc1ccncc1)C(=O)OC ZINC000293131643 171175661 /nfs/dbraw/zinc/17/56/61/171175661.db2.gz LGWGHZSXBAMNAU-CYBMUJFWSA-N 1 2 236.315 1.555 20 0 BDADLO CC[C@@](C)(O)CSc1nc(N)cc(C)[nH+]1 ZINC000119392863 171187683 /nfs/dbraw/zinc/18/76/83/171187683.db2.gz BXFPKSNGJCFDNV-SNVBAGLBSA-N 1 2 227.333 1.620 20 0 BDADLO CC[C@@]1(C)CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332693263 171203692 /nfs/dbraw/zinc/20/36/92/171203692.db2.gz KTIILMLRRUCFOL-JTQLQIEISA-N 1 2 210.281 1.132 20 0 BDADLO CC[C@@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000332693263 171203694 /nfs/dbraw/zinc/20/36/94/171203694.db2.gz KTIILMLRRUCFOL-JTQLQIEISA-N 1 2 210.281 1.132 20 0 BDADLO CC[C@H](C(N)=O)[N@H+](C)Cc1ccccc1F ZINC000061679320 171243317 /nfs/dbraw/zinc/24/33/17/171243317.db2.gz YYUZIDIMEATXRV-LLVKDONJSA-N 1 2 224.279 1.521 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1ccccc1F ZINC000061679320 171243318 /nfs/dbraw/zinc/24/33/18/171243318.db2.gz YYUZIDIMEATXRV-LLVKDONJSA-N 1 2 224.279 1.521 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355137801 171252820 /nfs/dbraw/zinc/25/28/20/171252820.db2.gz HMIVXFRRFCADNU-SDDRHHMPSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccnc1 ZINC000281253019 171312456 /nfs/dbraw/zinc/31/24/56/171312456.db2.gz MQXDGIHTIZTPNC-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccnc1 ZINC000281253019 171312457 /nfs/dbraw/zinc/31/24/57/171312457.db2.gz MQXDGIHTIZTPNC-NSHDSACASA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340895628 171325081 /nfs/dbraw/zinc/32/50/81/171325081.db2.gz VBLCHFYRKRZAMR-AAEUAGOBSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340895628 171325083 /nfs/dbraw/zinc/32/50/83/171325083.db2.gz VBLCHFYRKRZAMR-AAEUAGOBSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298145874 171349304 /nfs/dbraw/zinc/34/93/04/171349304.db2.gz DEGGSQDNYQZQGO-DTWKUNHWSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298145874 171349306 /nfs/dbraw/zinc/34/93/06/171349306.db2.gz DEGGSQDNYQZQGO-DTWKUNHWSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@H](C)Nc1[nH+]cccc1C(N)=S ZINC000019482016 171350855 /nfs/dbraw/zinc/35/08/55/171350855.db2.gz IGWQUUDBEBUDKL-ZETCQYMHSA-N 1 2 209.318 1.926 20 0 BDADLO CC[C@H](C)OCC(=O)NCCCn1cc[nH+]c1 ZINC000130389136 171353184 /nfs/dbraw/zinc/35/31/84/171353184.db2.gz HBKYQQIOSXWSCJ-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO COCCc1nc(C[N@@H+]2CC3CC2(C)C3)no1 ZINC000662385215 412138769 /nfs/dbraw/zinc/13/87/69/412138769.db2.gz NXHOKJFSQCIVDT-UHFFFAOYSA-N 1 2 237.303 1.243 20 0 BDADLO COCCc1nc(C[N@H+]2CC3CC2(C)C3)no1 ZINC000662385215 412138772 /nfs/dbraw/zinc/13/87/72/412138772.db2.gz NXHOKJFSQCIVDT-UHFFFAOYSA-N 1 2 237.303 1.243 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279381853 171385756 /nfs/dbraw/zinc/38/57/56/171385756.db2.gz HYIDICZHLVZOEY-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000299625019 171385815 /nfs/dbraw/zinc/38/58/15/171385815.db2.gz FNVVSODOIPCVHB-QWRGUYRKSA-N 1 2 223.320 1.824 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCc1cn[nH]c1)C(=O)OC ZINC000298351700 171399381 /nfs/dbraw/zinc/39/93/81/171399381.db2.gz JTOSMCAPFAFOPT-ONGXEEELSA-N 1 2 239.319 1.130 20 0 BDADLO COCC1([NH2+]Cc2noc(C)n2)CCCCC1 ZINC000662339293 412107896 /nfs/dbraw/zinc/10/78/96/412107896.db2.gz VWMPWEBQYLAGKW-UHFFFAOYSA-N 1 2 239.319 1.817 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665135439 412108480 /nfs/dbraw/zinc/10/84/80/412108480.db2.gz YFUWBZNQMMGXDY-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665135439 412108482 /nfs/dbraw/zinc/10/84/82/412108482.db2.gz YFUWBZNQMMGXDY-SECBINFHSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@H]([NH2+]C1Cc2ccccc2C1)C(=O)OC ZINC000179149769 171516799 /nfs/dbraw/zinc/51/67/99/171516799.db2.gz OYDMHHAPZXSQRZ-ZDUSSCGKSA-N 1 2 233.311 1.695 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCCCN3)ccn12 ZINC000662827494 412313283 /nfs/dbraw/zinc/31/32/83/412313283.db2.gz UTPTVUBMPUVFRC-UHFFFAOYSA-N 1 2 244.298 1.383 20 0 BDADLO Cc1cc(CNc2nc(N(C)C)nc(C)[nH+]2)no1 ZINC000531934830 412319429 /nfs/dbraw/zinc/31/94/29/412319429.db2.gz BHWJNVQEIKLIQJ-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO Cc1cc(CNc2nc(C)[nH+]c(N(C)C)n2)no1 ZINC000531934830 412319432 /nfs/dbraw/zinc/31/94/32/412319432.db2.gz BHWJNVQEIKLIQJ-UHFFFAOYSA-N 1 2 248.290 1.155 20 0 BDADLO CCc1nocc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000665473805 412332598 /nfs/dbraw/zinc/33/25/98/412332598.db2.gz MNKUWDBSJXXNQG-UHFFFAOYSA-N 1 2 248.286 1.243 20 0 BDADLO COC(=O)[C@H](C)CNc1nc[nH+]c2c1CCCC2 ZINC000610784638 412336786 /nfs/dbraw/zinc/33/67/86/412336786.db2.gz LMEUWHXJQJOMGS-SECBINFHSA-N 1 2 249.314 1.576 20 0 BDADLO CCc1cc(N(C)CC(=O)NC2CC2)nc(C)[nH+]1 ZINC000272851093 171759755 /nfs/dbraw/zinc/75/97/55/171759755.db2.gz KFEQFIHIWFHOMK-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO CCc1cc(N)nc(S[C@H](C)COC)[nH+]1 ZINC000279149814 171761666 /nfs/dbraw/zinc/76/16/66/171761666.db2.gz ZSBFRFUKKYTFPC-SSDOTTSWSA-N 1 2 227.333 1.748 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2c(C)cnn2C)[nH]1 ZINC000286268282 172006020 /nfs/dbraw/zinc/00/60/20/172006020.db2.gz BHCDYRZPZQIGIH-VIFPVBQESA-N 1 2 248.334 1.260 20 0 BDADLO CCc1[nH+]ccn1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000368632555 172026074 /nfs/dbraw/zinc/02/60/74/172026074.db2.gz NRBZBYDPCIPIIE-TXEJJXNPSA-N 1 2 235.331 1.309 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1ncc[nH]1 ZINC000169265264 172037120 /nfs/dbraw/zinc/03/71/20/172037120.db2.gz XELMHJYAFVNKKE-UHFFFAOYSA-N 1 2 247.346 1.558 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC=C(C)C2)o1 ZINC000280701014 172047457 /nfs/dbraw/zinc/04/74/57/172047457.db2.gz CHBZMILLXOWOFR-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCc1nnc(C[N@H+]2CCC=C(C)C2)o1 ZINC000280701014 172047460 /nfs/dbraw/zinc/04/74/60/172047460.db2.gz CHBZMILLXOWOFR-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@@H](C)OC)o1 ZINC000361567007 172047723 /nfs/dbraw/zinc/04/77/23/172047723.db2.gz PJLKDRSWUBNWRZ-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@@H](C)OC)o1 ZINC000361567007 172047726 /nfs/dbraw/zinc/04/77/26/172047726.db2.gz PJLKDRSWUBNWRZ-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CCCO)o1 ZINC000331314856 172064732 /nfs/dbraw/zinc/06/47/32/172064732.db2.gz XIKMBSIWJFCUQJ-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1nnc(C[N@H+](C(C)C)[C@H]2CCOC2)o1 ZINC000361414252 172048885 /nfs/dbraw/zinc/04/88/85/172048885.db2.gz IIHKYCFOZIPSBR-JTQLQIEISA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@@H+](C(C)C)[C@H]2CCOC2)o1 ZINC000361414252 172048887 /nfs/dbraw/zinc/04/88/87/172048887.db2.gz IIHKYCFOZIPSBR-JTQLQIEISA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000329435323 172050128 /nfs/dbraw/zinc/05/01/28/172050128.db2.gz ITINXWNTYYCIST-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO CCc1nnc(C[N@H+]2CCOCC3(CC3)C2)o1 ZINC000329435323 172050130 /nfs/dbraw/zinc/05/01/30/172050130.db2.gz ITINXWNTYYCIST-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H]3COC[C@H]32)o1 ZINC000374372460 172050313 /nfs/dbraw/zinc/05/03/13/172050313.db2.gz DSMJDCVPNXHAHN-VHSXEESVSA-N 1 2 237.303 1.243 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H]3COC[C@H]32)o1 ZINC000374372460 172050316 /nfs/dbraw/zinc/05/03/16/172050316.db2.gz DSMJDCVPNXHAHN-VHSXEESVSA-N 1 2 237.303 1.243 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CCSC)n1 ZINC000361579580 172091046 /nfs/dbraw/zinc/09/10/46/172091046.db2.gz SOISUXSRBZAJDZ-QMMMGPOBSA-N 1 2 229.349 1.988 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CCSC)n1 ZINC000361579580 172091049 /nfs/dbraw/zinc/09/10/49/172091049.db2.gz SOISUXSRBZAJDZ-QMMMGPOBSA-N 1 2 229.349 1.988 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CCCO)o1 ZINC000331314856 172064729 /nfs/dbraw/zinc/06/47/29/172064729.db2.gz XIKMBSIWJFCUQJ-MRVPVSSYSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1nnc([C@H](C)N2CCn3cc[nH+]c3C2)o1 ZINC000331891225 172066074 /nfs/dbraw/zinc/06/60/74/172066074.db2.gz OFVMKBBFOVRBNR-VIFPVBQESA-N 1 2 247.302 1.405 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@H](C)O)o1 ZINC000361506021 172066482 /nfs/dbraw/zinc/06/64/82/172066482.db2.gz ZQORMFWIAYCUAM-YUMQZZPRSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H](C)O)o1 ZINC000361506021 172066483 /nfs/dbraw/zinc/06/64/83/172066483.db2.gz ZQORMFWIAYCUAM-YUMQZZPRSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1noc(CC)c1C[NH2+]Cc1cnn(C)n1 ZINC000293547400 172083928 /nfs/dbraw/zinc/08/39/28/172083928.db2.gz KTAPWMMEMBQNKM-UHFFFAOYSA-N 1 2 249.318 1.218 20 0 BDADLO CCc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000264665667 172086173 /nfs/dbraw/zinc/08/61/73/172086173.db2.gz VQOVZMHOFZVLDA-UHFFFAOYSA-N 1 2 228.255 1.871 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000374341556 172089278 /nfs/dbraw/zinc/08/92/78/172089278.db2.gz PBKYBZXOOIEVSV-VHSXEESVSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000374341556 172089280 /nfs/dbraw/zinc/08/92/80/172089280.db2.gz PBKYBZXOOIEVSV-VHSXEESVSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCCOCC2)n1 ZINC000363436498 172091198 /nfs/dbraw/zinc/09/11/98/172091198.db2.gz LGKPHJYNQOLHDA-VIFPVBQESA-N 1 2 225.292 1.415 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCCOCC2)n1 ZINC000363436498 172091200 /nfs/dbraw/zinc/09/12/00/172091200.db2.gz LGKPHJYNQOLHDA-VIFPVBQESA-N 1 2 225.292 1.415 20 0 BDADLO CCc1nocc1CN(C)c1cc(C)[nH+]cn1 ZINC000338782221 172096313 /nfs/dbraw/zinc/09/63/13/172096313.db2.gz KHRXMKBHSPAQQJ-UHFFFAOYSA-N 1 2 232.287 1.972 20 0 BDADLO CCn1c(C)nnc1C[N@H+](CCOC)C1CC1 ZINC000336718679 172139617 /nfs/dbraw/zinc/13/96/17/172139617.db2.gz WZEVEADOMODBRG-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1c(C)nnc1C[N@@H+](CCOC)C1CC1 ZINC000336718679 172139623 /nfs/dbraw/zinc/13/96/23/172139623.db2.gz WZEVEADOMODBRG-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1cc(C[NH2+]Cc2csc(C)n2)cn1 ZINC000050539640 172172187 /nfs/dbraw/zinc/17/21/87/172172187.db2.gz UJIFDFGZFYBZLG-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1cc(NCc2[nH+]ccn2C)cn1 ZINC000051921495 172187401 /nfs/dbraw/zinc/18/74/01/172187401.db2.gz SWCGDRAZQGOTOX-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2cocn2)cn1 ZINC000309660279 172198001 /nfs/dbraw/zinc/19/80/01/172198001.db2.gz RCMRTBQDISIIBW-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC[C@@]1(C)CC ZINC000336696924 172220008 /nfs/dbraw/zinc/22/00/08/172220008.db2.gz JXIZCOCDTILSKE-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1CF ZINC000339664959 172220127 /nfs/dbraw/zinc/22/01/27/172220127.db2.gz NAVUZYCPUVDIEG-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@@H]1CF ZINC000339664959 172220131 /nfs/dbraw/zinc/22/01/31/172220131.db2.gz NAVUZYCPUVDIEG-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@@H]1CF ZINC000339664959 172220133 /nfs/dbraw/zinc/22/01/33/172220133.db2.gz NAVUZYCPUVDIEG-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC(C)(C)C ZINC000296387862 172221894 /nfs/dbraw/zinc/22/18/94/172221894.db2.gz PTNPKLINPKZYJN-UHFFFAOYSA-N 1 2 238.335 1.748 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Nc1ccncc1 ZINC000296416945 172222008 /nfs/dbraw/zinc/22/20/08/172222008.db2.gz SCUYKVDPHPLCOC-UHFFFAOYSA-N 1 2 245.286 1.620 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N(C)CC(C)C ZINC000295194193 172222396 /nfs/dbraw/zinc/22/23/96/172222396.db2.gz AYTOGGBPPKCMTC-UHFFFAOYSA-N 1 2 238.335 1.700 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC(C)C ZINC000296307743 172222453 /nfs/dbraw/zinc/22/24/53/172222453.db2.gz WFCWXZHMXMLFFU-UHFFFAOYSA-N 1 2 224.308 1.358 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[C@H]1C ZINC000298091681 172222765 /nfs/dbraw/zinc/22/27/65/172222765.db2.gz LPHXLVQFRMWSRO-NXEZZACHSA-N 1 2 236.319 1.453 20 0 BDADLO CCn1cc[nH+]c1CNc1ncccn1 ZINC000271942967 172225931 /nfs/dbraw/zinc/22/59/31/172225931.db2.gz PCNBTAPMKZAJOM-UHFFFAOYSA-N 1 2 203.249 1.305 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1cccc(OC)c1 ZINC000218229509 172236195 /nfs/dbraw/zinc/23/61/95/172236195.db2.gz YUQVXIZNMWFWBU-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCn1nccc1C[N@H+](C)[C@H](C)c1cnccn1 ZINC000352368486 172263701 /nfs/dbraw/zinc/26/37/01/172263701.db2.gz IMPKUFRCQMHMAG-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1nccc1C[N@@H+](C)[C@H](C)c1cnccn1 ZINC000352368486 172263704 /nfs/dbraw/zinc/26/37/04/172263704.db2.gz IMPKUFRCQMHMAG-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cnc(C)cn1 ZINC000352365593 172263808 /nfs/dbraw/zinc/26/38/08/172263808.db2.gz UIIAPNVDNAWZPD-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cnc(C)cn1 ZINC000352365593 172263813 /nfs/dbraw/zinc/26/38/13/172263813.db2.gz UIIAPNVDNAWZPD-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOCC1(C)C ZINC000130882417 172265665 /nfs/dbraw/zinc/26/56/65/172265665.db2.gz DBGDBFFLVMANRA-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1nccc1C[N@H+]1CCOCC1(C)C ZINC000130882417 172265667 /nfs/dbraw/zinc/26/56/67/172265667.db2.gz DBGDBFFLVMANRA-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000126535807 172267772 /nfs/dbraw/zinc/26/77/72/172267772.db2.gz RSTXSNPRYVSYNF-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000126535807 172267775 /nfs/dbraw/zinc/26/77/75/172267775.db2.gz RSTXSNPRYVSYNF-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000339163013 172306539 /nfs/dbraw/zinc/30/65/39/172306539.db2.gz FYBQIPPPFTUAAQ-LLVKDONJSA-N 1 2 235.331 1.610 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@](C)(F)C1)C1CC1 ZINC000336268716 172310444 /nfs/dbraw/zinc/31/04/44/172310444.db2.gz GPYZSEMQRYSYBI-LBPRGKRZSA-N 1 2 228.311 1.431 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@](C)(F)C1)C1CC1 ZINC000336268716 172310446 /nfs/dbraw/zinc/31/04/46/172310446.db2.gz GPYZSEMQRYSYBI-LBPRGKRZSA-N 1 2 228.311 1.431 20 0 BDADLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000272245594 172336571 /nfs/dbraw/zinc/33/65/71/172336571.db2.gz OHCRTKLMPMOIHH-UHFFFAOYSA-N 1 2 242.282 1.502 20 0 BDADLO CN(C)C(=O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000078591941 172371316 /nfs/dbraw/zinc/37/13/16/172371316.db2.gz QOYRFARNCSHJQQ-UHFFFAOYSA-N 1 2 247.220 1.601 20 0 BDADLO CN(C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000082276035 172377900 /nfs/dbraw/zinc/37/79/00/172377900.db2.gz OILWVUSZRMUVPM-VIFPVBQESA-N 1 2 222.292 1.618 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1F ZINC000264970778 173051958 /nfs/dbraw/zinc/05/19/58/173051958.db2.gz FMVVOPPPSURQJK-JTQLQIEISA-N 1 2 240.253 1.998 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1F ZINC000264970778 173051959 /nfs/dbraw/zinc/05/19/59/173051959.db2.gz FMVVOPPPSURQJK-JTQLQIEISA-N 1 2 240.253 1.998 20 0 BDADLO CN1CC[N@H+](CCc2ccccc2F)CC1=O ZINC000137605445 173082928 /nfs/dbraw/zinc/08/29/28/173082928.db2.gz FIJYRXLJOUPRLB-UHFFFAOYSA-N 1 2 236.290 1.142 20 0 BDADLO CN1CC[N@@H+](CCc2ccccc2F)CC1=O ZINC000137605445 173082929 /nfs/dbraw/zinc/08/29/29/173082929.db2.gz FIJYRXLJOUPRLB-UHFFFAOYSA-N 1 2 236.290 1.142 20 0 BDADLO CN1CC[N@H+](Cc2ccncc2)C(C)(C)C1 ZINC000271020027 173089882 /nfs/dbraw/zinc/08/98/82/173089882.db2.gz IZMFPZRVPJOJAU-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO CN1CC[N@@H+](Cc2ccncc2)C(C)(C)C1 ZINC000271020027 173089884 /nfs/dbraw/zinc/08/98/84/173089884.db2.gz IZMFPZRVPJOJAU-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO Cn1cccc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000093642778 173091044 /nfs/dbraw/zinc/09/10/44/173091044.db2.gz DSJWSPHVUUCQNO-UHFFFAOYSA-N 1 2 235.331 1.078 20 0 BDADLO Cn1cccc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000093642778 173091047 /nfs/dbraw/zinc/09/10/47/173091047.db2.gz DSJWSPHVUUCQNO-UHFFFAOYSA-N 1 2 235.331 1.078 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2cccc(Cl)n2)C1 ZINC000085791337 173101372 /nfs/dbraw/zinc/10/13/72/173101372.db2.gz KNFGYAJRRYMFOV-VIFPVBQESA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2cccc(Cl)n2)C1 ZINC000085791337 173101374 /nfs/dbraw/zinc/10/13/74/173101374.db2.gz KNFGYAJRRYMFOV-VIFPVBQESA-N 1 2 241.722 1.478 20 0 BDADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1(C)CCCC1 ZINC000336540465 173104032 /nfs/dbraw/zinc/10/40/32/173104032.db2.gz FVYGZYVZKIRUBS-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1(C)CCCC1 ZINC000336540465 173104033 /nfs/dbraw/zinc/10/40/33/173104033.db2.gz FVYGZYVZKIRUBS-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CN1CC[C@H]([N@@H+]2CCc3c(F)cccc3C2)C1=O ZINC000152812116 173149687 /nfs/dbraw/zinc/14/96/87/173149687.db2.gz NRXNVJXBTIVSFA-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@H]([N@H+]2CCc3c(F)cccc3C2)C1=O ZINC000152812116 173149689 /nfs/dbraw/zinc/14/96/89/173149689.db2.gz NRXNVJXBTIVSFA-ZDUSSCGKSA-N 1 2 248.301 1.415 20 0 BDADLO CNC(=O)C1C[NH+](Cc2ccc(Cl)s2)C1 ZINC000285187825 173226882 /nfs/dbraw/zinc/22/68/82/173226882.db2.gz VZFUQBGWUXDVIC-UHFFFAOYSA-N 1 2 244.747 1.579 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1c(C)cccc1Cl ZINC000295514736 173267313 /nfs/dbraw/zinc/26/73/13/173267313.db2.gz LVBJKILXXYQXIK-UHFFFAOYSA-N 1 2 240.734 1.826 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1c(C)cccc1Cl ZINC000295514736 173267316 /nfs/dbraw/zinc/26/73/16/173267316.db2.gz LVBJKILXXYQXIK-UHFFFAOYSA-N 1 2 240.734 1.826 20 0 BDADLO CNC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000308945454 173276940 /nfs/dbraw/zinc/27/69/40/173276940.db2.gz NMQJJJCWXIRICN-UHFFFAOYSA-N 1 2 220.263 1.290 20 0 BDADLO CNC(=O)C[C@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000272027783 173283257 /nfs/dbraw/zinc/28/32/57/173283257.db2.gz AWRZNXREXZURDB-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)C[C@H](C)[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000272027783 173283258 /nfs/dbraw/zinc/28/32/58/173283258.db2.gz AWRZNXREXZURDB-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045310800 173291225 /nfs/dbraw/zinc/29/12/25/173291225.db2.gz CIGFPXPCWORNSR-UHFFFAOYSA-N 1 2 238.678 1.417 20 0 BDADLO CNC(=O)[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301573759 173295877 /nfs/dbraw/zinc/29/58/77/173295877.db2.gz SBKFFMWMYSCHPW-MRVPVSSYSA-N 1 2 236.319 1.321 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)no1 ZINC000170910390 173297605 /nfs/dbraw/zinc/29/76/05/173297605.db2.gz GQXOZAZTQZVQJN-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)no1 ZINC000170910390 173297606 /nfs/dbraw/zinc/29/76/06/173297606.db2.gz GQXOZAZTQZVQJN-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1conc1C ZINC000295505972 173297764 /nfs/dbraw/zinc/29/77/64/173297764.db2.gz YRMWTKRQAQSECW-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1conc1C ZINC000295505972 173297765 /nfs/dbraw/zinc/29/77/65/173297765.db2.gz YRMWTKRQAQSECW-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000267026681 173301269 /nfs/dbraw/zinc/30/12/69/173301269.db2.gz AACDLSOUQODVGV-SECBINFHSA-N 1 2 248.330 1.172 20 0 BDADLO CNC(=O)[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000292921791 173303025 /nfs/dbraw/zinc/30/30/25/173303025.db2.gz IGYDACAQGVYWQE-ZETCQYMHSA-N 1 2 242.706 1.270 20 0 BDADLO CNC(=O)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000292209069 173304027 /nfs/dbraw/zinc/30/40/27/173304027.db2.gz HDTADLULMXFVKT-QMMMGPOBSA-N 1 2 248.330 1.210 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000179334348 173306283 /nfs/dbraw/zinc/30/62/83/173306283.db2.gz LXGOOBKPARXJJK-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000179334348 173306284 /nfs/dbraw/zinc/30/62/84/173306284.db2.gz LXGOOBKPARXJJK-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)c1ccc(C)c(NCc2[nH]cc[nH+]2)c1 ZINC000049715244 173310626 /nfs/dbraw/zinc/31/06/26/173310626.db2.gz JBMCXWABMLPNDX-UHFFFAOYSA-N 1 2 244.298 1.690 20 0 BDADLO CNC(=O)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000147375006 173310695 /nfs/dbraw/zinc/31/06/95/173310695.db2.gz BOIZDCWJHMKRQH-UHFFFAOYSA-N 1 2 228.242 1.401 20 0 BDADLO C[NH2+]Cc1noc(C2(c3ccccc3)CC2)n1 ZINC000061618606 173399514 /nfs/dbraw/zinc/39/95/14/173399514.db2.gz KSALJBCDNROCLA-UHFFFAOYSA-N 1 2 229.283 1.869 20 0 BDADLO COC1(C[NH2+]CC(F)(F)CO)CCCCC1 ZINC000309467482 174000918 /nfs/dbraw/zinc/00/09/18/174000918.db2.gz PUZMLAZLTASALX-UHFFFAOYSA-N 1 2 237.290 1.553 20 0 BDADLO COC1(CNc2cccc[nH+]2)CCOCC1 ZINC000120552574 174006152 /nfs/dbraw/zinc/00/61/52/174006152.db2.gz LSNAMUSVKCOQDD-UHFFFAOYSA-N 1 2 222.288 1.689 20 0 BDADLO COC1CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000358228163 174036143 /nfs/dbraw/zinc/03/61/43/174036143.db2.gz VDQHLTGJTQBZQI-UHFFFAOYSA-N 1 2 207.277 1.435 20 0 BDADLO COCC(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000270338303 174068589 /nfs/dbraw/zinc/06/85/89/174068589.db2.gz NBYQHYVQUAMXMZ-UHFFFAOYSA-N 1 2 247.298 1.945 20 0 BDADLO COCC(C)(C)CNc1cc[nH+]c(C)n1 ZINC000291970783 174076433 /nfs/dbraw/zinc/07/64/33/174076433.db2.gz WDJWZNJMPOHBQN-UHFFFAOYSA-N 1 2 209.293 1.870 20 0 BDADLO COCC1=CC[N@H+](Cc2cscn2)CC1 ZINC000185865926 174117318 /nfs/dbraw/zinc/11/73/18/174117318.db2.gz FUBVNDVRUSNPJX-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO COCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC000185865926 174117319 /nfs/dbraw/zinc/11/73/19/174117319.db2.gz FUBVNDVRUSNPJX-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO COCC1=CC[N@H+](Cc2cn[nH]c2C)CC1 ZINC000187621372 174117843 /nfs/dbraw/zinc/11/78/43/174117843.db2.gz CVJFYPBWFCUDQN-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO COCC1=CC[N@@H+](Cc2cn[nH]c2C)CC1 ZINC000187621372 174117847 /nfs/dbraw/zinc/11/78/47/174117847.db2.gz CVJFYPBWFCUDQN-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO COCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075531953 174123391 /nfs/dbraw/zinc/12/33/91/174123391.db2.gz BYENIFUXDFWNCF-JTQLQIEISA-N 1 2 237.303 1.152 20 0 BDADLO COCCC(C)(C)Nc1[nH+]cnc2c1cnn2C ZINC000337874996 174147885 /nfs/dbraw/zinc/14/78/85/174147885.db2.gz PZSKEJZNWZPURK-UHFFFAOYSA-N 1 2 249.318 1.590 20 0 BDADLO COCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374499732 174162082 /nfs/dbraw/zinc/16/20/82/174162082.db2.gz DHCLPHXPIMKYAC-JTQLQIEISA-N 1 2 237.303 1.500 20 0 BDADLO COCCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119774211 174213165 /nfs/dbraw/zinc/21/31/65/174213165.db2.gz VRCNCTZHHKHBMA-UHFFFAOYSA-N 1 2 237.303 1.890 20 0 BDADLO COCCCONC(=O)Nc1cc[nH+]cc1C ZINC000287189616 174255403 /nfs/dbraw/zinc/25/54/03/174255403.db2.gz SNSULHVPEBTKDW-UHFFFAOYSA-N 1 2 239.275 1.480 20 0 BDADLO COCCCOCC[N@H+](C)Cc1[nH]ncc1C ZINC000290926953 174255421 /nfs/dbraw/zinc/25/54/21/174255421.db2.gz RJGJEBMUEZZYRK-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1[nH]ncc1C ZINC000290926953 174255423 /nfs/dbraw/zinc/25/54/23/174255423.db2.gz RJGJEBMUEZZYRK-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCCOCC[N@H+](C)Cc1n[nH]cc1C ZINC000290926953 174255425 /nfs/dbraw/zinc/25/54/25/174255425.db2.gz RJGJEBMUEZZYRK-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1n[nH]cc1C ZINC000290926953 174255426 /nfs/dbraw/zinc/25/54/26/174255426.db2.gz RJGJEBMUEZZYRK-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCCSc1[nH+]cnc2c1cnn2C ZINC000298591794 174259622 /nfs/dbraw/zinc/25/96/22/174259622.db2.gz IRCDDBLDPJVYOB-UHFFFAOYSA-N 1 2 238.316 1.492 20 0 BDADLO COCC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000330363518 174280742 /nfs/dbraw/zinc/28/07/42/174280742.db2.gz ISNQHRNONARTIJ-UHFFFAOYSA-N 1 2 227.308 1.445 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000330363518 174280745 /nfs/dbraw/zinc/28/07/45/174280745.db2.gz ISNQHRNONARTIJ-UHFFFAOYSA-N 1 2 227.308 1.445 20 0 BDADLO COCC[N@H+](C)Cc1c(Cl)cnn1C ZINC000275652684 174281646 /nfs/dbraw/zinc/28/16/46/174281646.db2.gz CKSVJUWVIAOZPL-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO COCC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000275652684 174281649 /nfs/dbraw/zinc/28/16/49/174281649.db2.gz CKSVJUWVIAOZPL-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO COCC[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000077408580 174283185 /nfs/dbraw/zinc/28/31/85/174283185.db2.gz JLYRYHRYJMZDGK-SECBINFHSA-N 1 2 227.308 1.832 20 0 BDADLO COCC[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000077408580 174283187 /nfs/dbraw/zinc/28/31/87/174283187.db2.gz JLYRYHRYJMZDGK-SECBINFHSA-N 1 2 227.308 1.832 20 0 BDADLO COCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000270599954 174283951 /nfs/dbraw/zinc/28/39/51/174283951.db2.gz VNJGSSUDVWPGIU-UHFFFAOYSA-N 1 2 205.261 1.646 20 0 BDADLO COCC[N@H+](Cc1ccn(C)n1)C1CC1 ZINC000336645892 174300388 /nfs/dbraw/zinc/30/03/88/174300388.db2.gz JFMGKWXSDCCXGA-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC[N@@H+](Cc1ccn(C)n1)C1CC1 ZINC000336645892 174300390 /nfs/dbraw/zinc/30/03/90/174300390.db2.gz JFMGKWXSDCCXGA-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCCN(Cc1c[nH+]c[nH]1)Cc1ccco1 ZINC000092562030 174300785 /nfs/dbraw/zinc/30/07/85/174300785.db2.gz GCVDXFJIEXTSQM-UHFFFAOYSA-N 1 2 235.287 1.651 20 0 BDADLO COCC[N@H+](Cc1c[nH]cn1)[C@H]1CCO[C@@H]1C ZINC000361332744 174300977 /nfs/dbraw/zinc/30/09/77/174300977.db2.gz VOCIKJVMDTVZJC-PWSUYJOCSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1c[nH]cn1)[C@H]1CCO[C@@H]1C ZINC000361332744 174300978 /nfs/dbraw/zinc/30/09/78/174300978.db2.gz VOCIKJVMDTVZJC-PWSUYJOCSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@H+](Cc1cnc[nH]1)[C@H]1CCO[C@@H]1C ZINC000361332744 174300979 /nfs/dbraw/zinc/30/09/79/174300979.db2.gz VOCIKJVMDTVZJC-PWSUYJOCSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@@H+](Cc1cnc[nH]1)[C@H]1CCO[C@@H]1C ZINC000361332744 174300981 /nfs/dbraw/zinc/30/09/81/174300981.db2.gz VOCIKJVMDTVZJC-PWSUYJOCSA-N 1 2 239.319 1.036 20 0 BDADLO COCC[N@H+](Cc1nccc(C)n1)C1CC1 ZINC000336706405 174302541 /nfs/dbraw/zinc/30/25/41/174302541.db2.gz ROJWSFBFUQSFOH-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO COCC[N@@H+](Cc1nccc(C)n1)C1CC1 ZINC000336706405 174302543 /nfs/dbraw/zinc/30/25/43/174302543.db2.gz ROJWSFBFUQSFOH-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO COCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000075609073 174308914 /nfs/dbraw/zinc/30/89/14/174308914.db2.gz YDGQFXXVXYOGKH-UHFFFAOYSA-N 1 2 244.335 1.186 20 0 BDADLO COCCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000171052220 174309546 /nfs/dbraw/zinc/30/95/46/174309546.db2.gz BVOHEMSBBYMJMQ-CYBMUJFWSA-N 1 2 249.358 1.407 20 0 BDADLO COCCN1CC[NH+](Cc2occc2C)CC1 ZINC000123015894 174309925 /nfs/dbraw/zinc/30/99/25/174309925.db2.gz GEEWENZTEWINGO-UHFFFAOYSA-N 1 2 238.331 1.352 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125369604 174311001 /nfs/dbraw/zinc/31/10/01/174311001.db2.gz PJICMXWFQNUXOX-LLVKDONJSA-N 1 2 227.329 1.768 20 0 BDADLO COCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125369604 174311002 /nfs/dbraw/zinc/31/10/02/174311002.db2.gz PJICMXWFQNUXOX-LLVKDONJSA-N 1 2 227.329 1.768 20 0 BDADLO COCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000374309335 174311527 /nfs/dbraw/zinc/31/15/27/174311527.db2.gz LMGMPFQGBNFIIQ-NSHDSACASA-N 1 2 239.319 1.046 20 0 BDADLO COCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000374309335 174311529 /nfs/dbraw/zinc/31/15/29/174311529.db2.gz LMGMPFQGBNFIIQ-NSHDSACASA-N 1 2 239.319 1.046 20 0 BDADLO COCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000120337057 174339561 /nfs/dbraw/zinc/33/95/61/174339561.db2.gz NVSNVBWPUWWVBF-JTQLQIEISA-N 1 2 231.336 1.589 20 0 BDADLO COC[C@@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000361613052 174481914 /nfs/dbraw/zinc/48/19/14/174481914.db2.gz WQDAXHGOKOPOBK-GFCCVEGCSA-N 1 2 243.347 1.734 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282396685 175097324 /nfs/dbraw/zinc/09/73/24/175097324.db2.gz XRCJLCXNAQTVCM-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282396685 175097326 /nfs/dbraw/zinc/09/73/26/175097326.db2.gz XRCJLCXNAQTVCM-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CCC3)nc1 ZINC000361988350 175100791 /nfs/dbraw/zinc/10/07/91/175100791.db2.gz DLLPEHYIAJTGCZ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CCC3)nc1 ZINC000361988350 175100793 /nfs/dbraw/zinc/10/07/93/175100793.db2.gz DLLPEHYIAJTGCZ-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1O ZINC000132171130 175101264 /nfs/dbraw/zinc/10/12/64/175101264.db2.gz YPCSMPQPSYWADY-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@H]2C)cc1O ZINC000132171130 175101265 /nfs/dbraw/zinc/10/12/65/175101265.db2.gz YPCSMPQPSYWADY-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000267187056 175101417 /nfs/dbraw/zinc/10/14/17/175101417.db2.gz GPUQTTLMAMYGMH-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000267187056 175101418 /nfs/dbraw/zinc/10/14/18/175101418.db2.gz GPUQTTLMAMYGMH-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccn(C)n2)cc1O ZINC000020352646 175108785 /nfs/dbraw/zinc/10/87/85/175108785.db2.gz KSLOUZYHIAFDNV-UHFFFAOYSA-N 1 2 247.298 1.424 20 0 BDADLO COc1cccc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)c1 ZINC000035676598 175238485 /nfs/dbraw/zinc/23/84/85/175238485.db2.gz XICKSEVJZSUBBR-XVKPBYJWSA-N 1 2 249.270 1.126 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2cnccn2)n1 ZINC000177249899 175255409 /nfs/dbraw/zinc/25/54/09/175255409.db2.gz WCOZLMSYPBCAPG-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2cnccn2)n1 ZINC000177249899 175255410 /nfs/dbraw/zinc/25/54/10/175255410.db2.gz WCOZLMSYPBCAPG-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cccc(C[N@H+](C2CC2)C2COC2)n1 ZINC000296113208 175257664 /nfs/dbraw/zinc/25/76/64/175257664.db2.gz SORFYZYHDVIXDJ-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cccc(C[N@@H+](C2CC2)C2COC2)n1 ZINC000296113208 175257666 /nfs/dbraw/zinc/25/76/66/175257666.db2.gz SORFYZYHDVIXDJ-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cccc2c(N(C)CCO)cc[nH+]c12 ZINC000275451992 175299784 /nfs/dbraw/zinc/29/97/84/175299784.db2.gz GOXUPPXXHURQSB-UHFFFAOYSA-N 1 2 232.283 1.672 20 0 BDADLO COc1ccccc1Cc1noc(C[NH+](C)C)n1 ZINC000278186279 175335233 /nfs/dbraw/zinc/33/52/33/175335233.db2.gz UPCNERGOGNFCCD-UHFFFAOYSA-N 1 2 247.298 1.731 20 0 BDADLO COc1cc[nH+]c(CN(C2CC2)C2COC2)c1 ZINC000295283550 175357738 /nfs/dbraw/zinc/35/77/38/175357738.db2.gz DEHXNXXNVXEKOV-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cc[nH+]c(CN2CCOC[C@H]2C)c1 ZINC000106933498 175358367 /nfs/dbraw/zinc/35/83/67/175358367.db2.gz ORCANVGQJNFJKS-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000156523209 175358625 /nfs/dbraw/zinc/35/86/25/175358625.db2.gz UKYMZRODRFSEGW-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000156523209 175358626 /nfs/dbraw/zinc/35/86/26/175358626.db2.gz UKYMZRODRFSEGW-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000156523209 175358627 /nfs/dbraw/zinc/35/86/27/175358627.db2.gz UKYMZRODRFSEGW-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000287853292 175369584 /nfs/dbraw/zinc/36/95/84/175369584.db2.gz RHHBYUVTKAXDMR-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000287853292 175369585 /nfs/dbraw/zinc/36/95/85/175369585.db2.gz RHHBYUVTKAXDMR-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CCSC ZINC000293444183 175369990 /nfs/dbraw/zinc/36/99/90/175369990.db2.gz UGTXCQCQXDLUCU-UHFFFAOYSA-N 1 2 240.328 1.460 20 0 BDADLO COc1ccncc1C[N@@H+]1CC[C@H](F)C1 ZINC000336262940 175370546 /nfs/dbraw/zinc/37/05/46/175370546.db2.gz JMIWQECHMWQWGT-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccncc1C[N@H+]1CC[C@H](F)C1 ZINC000336262940 175370547 /nfs/dbraw/zinc/37/05/47/175370547.db2.gz JMIWQECHMWQWGT-JTQLQIEISA-N 1 2 210.252 1.634 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC1CCCC1 ZINC000292419693 175370775 /nfs/dbraw/zinc/37/07/75/175370775.db2.gz KLYUOOMWKDRELW-UHFFFAOYSA-N 1 2 249.314 1.832 20 0 BDADLO COc1cc[nH+]cc1COC(=O)CSC ZINC000288933225 175373555 /nfs/dbraw/zinc/37/35/55/175373555.db2.gz WZDYJOCANNKDOS-UHFFFAOYSA-N 1 2 227.285 1.496 20 0 BDADLO COc1cc[nH+]cc1Cn1cccc(C)c1=O ZINC000336322397 175373973 /nfs/dbraw/zinc/37/39/73/175373973.db2.gz HXCOLTVYLJUTJM-UHFFFAOYSA-N 1 2 230.267 1.609 20 0 BDADLO COc1cc[nH+]cc1CNc1nccc(C)n1 ZINC000292639317 175374113 /nfs/dbraw/zinc/37/41/13/175374113.db2.gz FTISMAHCJCCTTD-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](C)n1cccn1 ZINC000299493599 175375650 /nfs/dbraw/zinc/37/56/50/175375650.db2.gz OJWYMOIPKSFXSG-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO COc1ccncc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279286701 175375684 /nfs/dbraw/zinc/37/56/84/175375684.db2.gz XNSZRPIPNNEAPA-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1c[nH+]c(N2CCCC2)nc1N1CCCC1 ZINC000269181027 175381829 /nfs/dbraw/zinc/38/18/29/175381829.db2.gz UQQAURYSNIAUFF-UHFFFAOYSA-N 1 2 248.330 1.686 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000290290223 175386197 /nfs/dbraw/zinc/38/61/97/175386197.db2.gz MSFNZKJIYPWMEM-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000290290223 175386199 /nfs/dbraw/zinc/38/61/99/175386199.db2.gz MSFNZKJIYPWMEM-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)C(F)(F)F ZINC000339433111 175602635 /nfs/dbraw/zinc/60/26/35/175602635.db2.gz JMQAEMSAFCIYFQ-ZETCQYMHSA-N 1 2 249.236 1.577 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)C(C)(F)F ZINC000292688973 175614579 /nfs/dbraw/zinc/61/45/79/175614579.db2.gz AHTBWMYFRYFTOG-QMMMGPOBSA-N 1 2 231.246 1.291 20 0 BDADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(N)=O ZINC000052074200 176025517 /nfs/dbraw/zinc/02/55/17/176025517.db2.gz YCYTUEGSPHGGBO-QMMMGPOBSA-N 1 2 210.252 1.304 20 0 BDADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(N)=O ZINC000052074200 176025519 /nfs/dbraw/zinc/02/55/19/176025519.db2.gz YCYTUEGSPHGGBO-QMMMGPOBSA-N 1 2 210.252 1.304 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364318700 176038625 /nfs/dbraw/zinc/03/86/25/176038625.db2.gz RLSIRQXFYOLUIK-WCBMZHEXSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364318700 176038627 /nfs/dbraw/zinc/03/86/27/176038627.db2.gz RLSIRQXFYOLUIK-WCBMZHEXSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@@H](c1nc2ccccc2o1)[N@H+](C)CC(N)=O ZINC000272361114 176039419 /nfs/dbraw/zinc/03/94/19/176039419.db2.gz WIWBPJIVQCPPAY-QMMMGPOBSA-N 1 2 233.271 1.306 20 0 BDADLO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CC(N)=O ZINC000272361114 176039421 /nfs/dbraw/zinc/03/94/21/176039421.db2.gz WIWBPJIVQCPPAY-QMMMGPOBSA-N 1 2 233.271 1.306 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339572577 176040199 /nfs/dbraw/zinc/04/01/99/176040199.db2.gz XQBYUANJRNKJQJ-HLTSFMKQSA-N 1 2 221.308 1.409 20 0 BDADLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339572577 176040201 /nfs/dbraw/zinc/04/02/01/176040201.db2.gz XQBYUANJRNKJQJ-HLTSFMKQSA-N 1 2 221.308 1.409 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1[nH+]ccn1C ZINC000280478183 176042470 /nfs/dbraw/zinc/04/24/70/176042470.db2.gz IYAYFIGKHFAZFR-VHSXEESVSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000009998237 176068993 /nfs/dbraw/zinc/06/89/93/176068993.db2.gz YGUMNHFBKAELKP-SECBINFHSA-N 1 2 239.344 1.956 20 0 BDADLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nccs1 ZINC000009998237 176068996 /nfs/dbraw/zinc/06/89/96/176068996.db2.gz YGUMNHFBKAELKP-SECBINFHSA-N 1 2 239.344 1.956 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000072558624 176115502 /nfs/dbraw/zinc/11/55/02/176115502.db2.gz HHVFRWKYCXOBDG-GHMZBOCLSA-N 1 2 221.304 1.673 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339165063 176127820 /nfs/dbraw/zinc/12/78/20/176127820.db2.gz PQDKRLXBMIVSNA-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000264331275 176129227 /nfs/dbraw/zinc/12/92/27/176129227.db2.gz XBKYAZVUIAJIPB-MNOVXSKESA-N 1 2 221.304 1.578 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC000265824144 176155342 /nfs/dbraw/zinc/15/53/42/176155342.db2.gz XQIKMTZGBYIGNA-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)[C@@H]1C ZINC000267751255 176158689 /nfs/dbraw/zinc/15/86/89/176158689.db2.gz PDWCYDGNRWRGPB-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)[C@@H]1CO ZINC000295961706 176177236 /nfs/dbraw/zinc/17/72/36/176177236.db2.gz JOHAFYOTICOKKH-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@@H]1CO ZINC000295961706 176177238 /nfs/dbraw/zinc/17/72/38/176177238.db2.gz JOHAFYOTICOKKH-VXNVDRBHSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)[C@@H]1C ZINC000297338660 176250716 /nfs/dbraw/zinc/25/07/16/176250716.db2.gz IMBJEZAGTUGMJG-GHMZBOCLSA-N 1 2 236.319 1.323 20 0 BDADLO Cc1ccc(NC(=O)c2cocn2)c(C)[nH+]1 ZINC000674838645 487633255 /nfs/dbraw/zinc/63/32/55/487633255.db2.gz SLQXXKZUIJCSDZ-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@@H]1O ZINC000127186537 176285238 /nfs/dbraw/zinc/28/52/38/176285238.db2.gz RGWLTMXSOKWYIL-ZJUUUORDSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@@H]1O ZINC000127186537 176285239 /nfs/dbraw/zinc/28/52/39/176285239.db2.gz RGWLTMXSOKWYIL-ZJUUUORDSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000308848461 176299560 /nfs/dbraw/zinc/29/95/60/176299560.db2.gz QHVDYEUBTVXGEG-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cccnc2)CC[S@@]1=O ZINC000336394902 176294185 /nfs/dbraw/zinc/29/41/85/176294185.db2.gz VPUQGMHBQHVENO-BZNIZROVSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cccnc2)CC[S@@]1=O ZINC000336394902 176294187 /nfs/dbraw/zinc/29/41/87/176294187.db2.gz VPUQGMHBQHVENO-BZNIZROVSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CC[S@]1=O ZINC000359867321 176297881 /nfs/dbraw/zinc/29/78/81/176297881.db2.gz BSRMBGOLVVAMQJ-OHUAYANFSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)CC[S@]1=O ZINC000359867321 176297882 /nfs/dbraw/zinc/29/78/82/176297882.db2.gz BSRMBGOLVVAMQJ-OHUAYANFSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000308848461 176299559 /nfs/dbraw/zinc/29/95/59/176299559.db2.gz QHVDYEUBTVXGEG-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)C[C@@H](C2CC2)O1 ZINC000279276764 176309464 /nfs/dbraw/zinc/30/94/64/176309464.db2.gz JVWBOHCCRAJJOW-SKDRFNHKSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)C[C@@H](C2CC2)O1 ZINC000279276764 176309466 /nfs/dbraw/zinc/30/94/66/176309466.db2.gz JVWBOHCCRAJJOW-SKDRFNHKSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(CC(F)F)c2)CCO1 ZINC000294767761 176310726 /nfs/dbraw/zinc/31/07/26/176310726.db2.gz ARWUJXVNNKUGDE-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)CCO1 ZINC000294767761 176310728 /nfs/dbraw/zinc/31/07/28/176310728.db2.gz ARWUJXVNNKUGDE-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000360134724 176312544 /nfs/dbraw/zinc/31/25/44/176312544.db2.gz XQZIPBUNWSYDFF-RNFRBKRXSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000360134724 176312546 /nfs/dbraw/zinc/31/25/46/176312546.db2.gz XQZIPBUNWSYDFF-RNFRBKRXSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnnn2C)[C@@H]1c1ccccc1 ZINC000365782069 176312939 /nfs/dbraw/zinc/31/29/39/176312939.db2.gz ANEPADYBRKYXQX-MFKMUULPSA-N 1 2 243.314 1.403 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnnn2C)[C@@H]1c1ccccc1 ZINC000365782069 176312940 /nfs/dbraw/zinc/31/29/40/176312940.db2.gz ANEPADYBRKYXQX-MFKMUULPSA-N 1 2 243.314 1.403 20 0 BDADLO C[C@H](c1ccccc1F)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296168398 176316282 /nfs/dbraw/zinc/31/62/82/176316282.db2.gz KVHQOLHKLNZCLW-NXEZZACHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1ccccc1F)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296168398 176316284 /nfs/dbraw/zinc/31/62/84/176316284.db2.gz KVHQOLHKLNZCLW-NXEZZACHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC000267648820 176321660 /nfs/dbraw/zinc/32/16/60/176321660.db2.gz LWQGXHPGZXELBP-RKDXNWHRSA-N 1 2 231.303 1.456 20 0 BDADLO C[C@@H]1COCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000264006369 176334868 /nfs/dbraw/zinc/33/48/68/176334868.db2.gz MXYBUWREULGUKA-SNVBAGLBSA-N 1 2 245.282 1.195 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC000079961989 176336153 /nfs/dbraw/zinc/33/61/53/176336153.db2.gz JYUCIVMPFKCADZ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1COCC[N@H+]1CC(=O)NCCC(C)(C)C ZINC000079961989 176336154 /nfs/dbraw/zinc/33/61/54/176336154.db2.gz JYUCIVMPFKCADZ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnn2ccccc12 ZINC000271088845 176337997 /nfs/dbraw/zinc/33/79/97/176337997.db2.gz FIULXHCIUNWHNY-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnn2ccccc12 ZINC000271088845 176337999 /nfs/dbraw/zinc/33/79/99/176337999.db2.gz FIULXHCIUNWHNY-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000286995595 176342954 /nfs/dbraw/zinc/34/29/54/176342954.db2.gz UJZCIDVIAZZYDT-NTYHVHHESA-N 1 2 249.314 1.212 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)c2nccn21 ZINC000345359090 176378215 /nfs/dbraw/zinc/37/82/15/176378215.db2.gz WZOKZMUQZSRIFJ-MWLCHTKSSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@@H]1C[C@@H](NCc2ccn(C)n2)c2[nH+]ccn21 ZINC000345359090 176378217 /nfs/dbraw/zinc/37/82/17/176378217.db2.gz WZOKZMUQZSRIFJ-MWLCHTKSSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374388539 176385398 /nfs/dbraw/zinc/38/53/98/176385398.db2.gz SJDXNUJRCSIZRZ-VWYCJHECSA-N 1 2 233.315 1.392 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000354023842 176389968 /nfs/dbraw/zinc/38/99/68/176389968.db2.gz GWRXDBHWMATZFC-GHMZBOCLSA-N 1 2 247.342 1.882 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000263918947 176442990 /nfs/dbraw/zinc/44/29/90/176442990.db2.gz QTLBVKUPTFWULD-MWLCHTKSSA-N 1 2 229.283 1.401 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)NCCF ZINC000282676766 176889642 /nfs/dbraw/zinc/88/96/42/176889642.db2.gz JKRAQYIKTWIVFI-YUMQZZPRSA-N 1 2 245.323 1.268 20 0 BDADLO C[C@H](N[C@@H]1CCn2cc[nH+]c21)C(C)(F)F ZINC000335658612 176903845 /nfs/dbraw/zinc/90/38/45/176903845.db2.gz VHTKGEDOJFDAJO-JGVFFNPUSA-N 1 2 215.247 1.961 20 0 BDADLO C[C@H](O)[C@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000162690924 177016071 /nfs/dbraw/zinc/01/60/71/177016071.db2.gz RRDAOMWLZOGXQX-QWRGUYRKSA-N 1 2 245.326 1.780 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000184678623 177051061 /nfs/dbraw/zinc/05/10/61/177051061.db2.gz PQYLAOYHHFNKBV-LLVKDONJSA-N 1 2 249.314 1.377 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCCC2(C1)OCCO2 ZINC000184678623 177051062 /nfs/dbraw/zinc/05/10/62/177051062.db2.gz PQYLAOYHHFNKBV-LLVKDONJSA-N 1 2 249.314 1.377 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362573372 177051659 /nfs/dbraw/zinc/05/16/59/177051659.db2.gz RTGBTACYXJPHPJ-MFKMUULPSA-N 1 2 233.315 1.648 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362573372 177051661 /nfs/dbraw/zinc/05/16/61/177051661.db2.gz RTGBTACYXJPHPJ-MFKMUULPSA-N 1 2 233.315 1.648 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)CCc1ccccn1 ZINC000287799509 177054592 /nfs/dbraw/zinc/05/45/92/177054592.db2.gz OKLOFNNBTIQQFH-LLVKDONJSA-N 1 2 245.330 1.446 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)CCc1ccccn1 ZINC000287799509 177054594 /nfs/dbraw/zinc/05/45/94/177054594.db2.gz OKLOFNNBTIQQFH-LLVKDONJSA-N 1 2 245.330 1.446 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000336259463 177072224 /nfs/dbraw/zinc/07/22/24/177072224.db2.gz CTSGUBNGVGUTFL-WDEREUQCSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000336259463 177072225 /nfs/dbraw/zinc/07/22/25/177072225.db2.gz CTSGUBNGVGUTFL-WDEREUQCSA-N 1 2 228.311 1.431 20 0 BDADLO C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000082319397 177092852 /nfs/dbraw/zinc/09/28/52/177092852.db2.gz VYGNGABXKQRFMF-JTQLQIEISA-N 1 2 207.277 1.142 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2c[nH+]cn2C)[C@H]1C(=O)[O-] ZINC000300275963 177102166 /nfs/dbraw/zinc/10/21/66/177102166.db2.gz YGSUCTZWMVFYDZ-GXSJLCMTSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2c[nH+]cn2C)[C@H]1C(=O)[O-] ZINC000300275963 177102168 /nfs/dbraw/zinc/10/21/68/177102168.db2.gz YGSUCTZWMVFYDZ-GXSJLCMTSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336445744 177124812 /nfs/dbraw/zinc/12/48/12/177124812.db2.gz HEEUHDTXEHGISC-QWRGUYRKSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@H]1CCC[C@@]1(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293980844 177128411 /nfs/dbraw/zinc/12/84/11/177128411.db2.gz CAMSFAXWANVMDB-OERKHBLVSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336445745 177141257 /nfs/dbraw/zinc/14/12/57/177141257.db2.gz HEEUHDTXEHGISC-WDEREUQCSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000288637161 177146967 /nfs/dbraw/zinc/14/69/67/177146967.db2.gz WRFHXBWNQOXZRU-WDEREUQCSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC000281244876 177146989 /nfs/dbraw/zinc/14/69/89/177146989.db2.gz PRZFYKXUVZQUOJ-RYUDHWBXSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000246856046 177172678 /nfs/dbraw/zinc/17/26/78/177172678.db2.gz LUPASMPRNAHHRX-IUCAKERBSA-N 1 2 231.303 1.598 20 0 BDADLO C[C@H]1CCSCCN1C(=O)Cn1cc[nH+]c1 ZINC000276735310 177180405 /nfs/dbraw/zinc/18/04/05/177180405.db2.gz CBRBMAMQLATCSP-JTQLQIEISA-N 1 2 239.344 1.237 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000268236161 177201378 /nfs/dbraw/zinc/20/13/78/177201378.db2.gz BZUIYRSKUXXMKB-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000267695299 177215674 /nfs/dbraw/zinc/21/56/74/177215674.db2.gz QZAWKWSVTOPDNS-QWRGUYRKSA-N 1 2 221.304 1.388 20 0 BDADLO C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@H]1C ZINC000294228098 177227270 /nfs/dbraw/zinc/22/72/70/177227270.db2.gz ROZNHRHGFLBSLR-UWVGGRQHSA-N 1 2 229.283 1.815 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCC[C@H]2C(F)F)CCO1 ZINC000353185238 177250675 /nfs/dbraw/zinc/25/06/75/177250675.db2.gz BWEYTZYWMXILJN-QWRGUYRKSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCC[C@H]2C(F)F)CCO1 ZINC000353185238 177250677 /nfs/dbraw/zinc/25/06/77/177250677.db2.gz BWEYTZYWMXILJN-QWRGUYRKSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1C[N@H+](CCOCC(F)(F)F)CCO1 ZINC000336642715 177252802 /nfs/dbraw/zinc/25/28/02/177252802.db2.gz ASIILFNXWUYTGF-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC(F)(F)F)CCO1 ZINC000336642715 177252804 /nfs/dbraw/zinc/25/28/04/177252804.db2.gz ASIILFNXWUYTGF-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@H]1C[NH+](Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1C ZINC000331809208 177260910 /nfs/dbraw/zinc/26/09/10/177260910.db2.gz DPGSOPIKVWOGEL-UWVGGRQHSA-N 1 2 246.314 1.110 20 0 BDADLO C[C@H]1C[NH+](Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000127016704 177261749 /nfs/dbraw/zinc/26/17/49/177261749.db2.gz AFPJYZUTUIVABD-UWVGGRQHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N)nc1 ZINC000050813638 177263071 /nfs/dbraw/zinc/26/30/71/177263071.db2.gz NSJHSLSYOFAPKA-ZJUUUORDSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N)nc1 ZINC000050813638 177263072 /nfs/dbraw/zinc/26/30/72/177263072.db2.gz NSJHSLSYOFAPKA-ZJUUUORDSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccnc1N ZINC000052720662 177268182 /nfs/dbraw/zinc/26/81/82/177268182.db2.gz FWXWHZGSCRLIMG-ZJUUUORDSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccnc1N ZINC000052720662 177268184 /nfs/dbraw/zinc/26/81/84/177268184.db2.gz FWXWHZGSCRLIMG-ZJUUUORDSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccsc2)CC(=O)N1 ZINC000295003675 177268188 /nfs/dbraw/zinc/26/81/88/177268188.db2.gz LOALKSPQRRPCBN-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccsc2)CC(=O)N1 ZINC000295003675 177268189 /nfs/dbraw/zinc/26/81/89/177268189.db2.gz LOALKSPQRRPCBN-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(C(C)(C)C)nc2)CCO1 ZINC000284217965 177269939 /nfs/dbraw/zinc/26/99/39/177269939.db2.gz COWPBVVJCJTGLU-NSHDSACASA-N 1 2 249.358 1.995 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(C(C)(C)C)nc2)CCO1 ZINC000284217965 177269941 /nfs/dbraw/zinc/26/99/41/177269941.db2.gz COWPBVVJCJTGLU-NSHDSACASA-N 1 2 249.358 1.995 20 0 BDADLO C[C@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@@H]1C ZINC000278412047 177278196 /nfs/dbraw/zinc/27/81/96/177278196.db2.gz NXVNIWIXSYFHMX-YUMQZZPRSA-N 1 2 246.318 1.038 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1 ZINC000355080208 177292171 /nfs/dbraw/zinc/29/21/71/177292171.db2.gz MILWPJMUVNRSLD-LBPRGKRZSA-N 1 2 248.326 1.137 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1 ZINC000355080208 177292173 /nfs/dbraw/zinc/29/21/73/177292173.db2.gz MILWPJMUVNRSLD-LBPRGKRZSA-N 1 2 248.326 1.137 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)COc2cc[nH+]cc2)C1 ZINC000276477533 177310621 /nfs/dbraw/zinc/31/06/21/177310621.db2.gz RBTDEOQMLBBILC-TXEJJXNPSA-N 1 2 248.326 1.965 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)NCCn1cc[nH+]c1 ZINC000335875319 177320063 /nfs/dbraw/zinc/32/00/63/177320063.db2.gz UDACZBFKXPRQHE-AOOOYVTPSA-N 1 2 222.292 1.075 20 0 BDADLO C[C@H]1C[C@@H](C[N@H+](C)CC(F)F)CCO1 ZINC000352727727 177323753 /nfs/dbraw/zinc/32/37/53/177323753.db2.gz TTZAPWQHIXYGAE-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@H]1C[C@@H](C[N@@H+](C)CC(F)F)CCO1 ZINC000352727727 177323754 /nfs/dbraw/zinc/32/37/54/177323754.db2.gz TTZAPWQHIXYGAE-IUCAKERBSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333873553 177329560 /nfs/dbraw/zinc/32/95/60/177329560.db2.gz UYEUGKZLXHQWQS-XFWSIPNHSA-N 1 2 234.303 1.597 20 0 BDADLO C[C@H]1C[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)CO1 ZINC000333909190 177354077 /nfs/dbraw/zinc/35/40/77/177354077.db2.gz WIVCSZBKBGLZIV-UWVGGRQHSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000336571148 177374900 /nfs/dbraw/zinc/37/49/00/177374900.db2.gz FWFNRTDRQAASPH-IUCAKERBSA-N 1 2 217.272 1.522 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]1C ZINC000294220255 177528246 /nfs/dbraw/zinc/52/82/46/177528246.db2.gz RJMJJHYQJOMYPH-IONNQARKSA-N 1 2 207.277 1.127 20 0 BDADLO CCc1oc(C(=O)NCc2[nH+]ccn2C)cc1C ZINC000471800224 225082464 /nfs/dbraw/zinc/08/24/64/225082464.db2.gz RBUBMZBVWOAVND-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO Cc1nc(N[C@@H](C)Cc2ccncc2)cc[nH+]1 ZINC000487682069 225321174 /nfs/dbraw/zinc/32/11/74/225321174.db2.gz AUPJVMOMZWSBKI-JTQLQIEISA-N 1 2 228.299 1.645 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(O)(CC)CC1 ZINC000488435049 225397354 /nfs/dbraw/zinc/39/73/54/225397354.db2.gz RDTFJRIZRBZZEW-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCc1cc(N(C)CCOCC2CC2)nc[nH+]1 ZINC000674885216 487644669 /nfs/dbraw/zinc/64/46/69/487644669.db2.gz ZUHNIRZSTNGHHJ-UHFFFAOYSA-N 1 2 235.331 1.902 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000492765976 226048555 /nfs/dbraw/zinc/04/85/55/226048555.db2.gz MJGZLFLAIHQTGU-QKMQQOOLSA-N 1 2 219.288 1.680 20 0 BDADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)c[nH]c1=O ZINC000492775568 226050460 /nfs/dbraw/zinc/05/04/60/226050460.db2.gz YELUZMJYCOQXHE-NSCUHMNNSA-N 1 2 244.254 1.471 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccsc1 ZINC000492813124 226057400 /nfs/dbraw/zinc/05/74/00/226057400.db2.gz ORHQOBBIXNIUPP-OWOJBTEDSA-N 1 2 233.296 1.801 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC1(C)C ZINC000492827225 226061242 /nfs/dbraw/zinc/06/12/42/226061242.db2.gz WQEGRJDKJKKVAT-ORAHPGNNSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000492864167 226070279 /nfs/dbraw/zinc/07/02/79/226070279.db2.gz NAQAGABCUVCRLZ-MXQLGCADSA-N 1 2 249.314 1.354 20 0 BDADLO COCCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492904665 226081661 /nfs/dbraw/zinc/08/16/61/226081661.db2.gz XMXNPBRMZOMPEH-NSCUHMNNSA-N 1 2 249.314 1.356 20 0 BDADLO Cc1ccnc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493330091 226188024 /nfs/dbraw/zinc/18/80/24/226188024.db2.gz YCDFPICHONMPMA-IHWYPQMZSA-N 1 2 228.255 1.765 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493023510 226106370 /nfs/dbraw/zinc/10/63/70/226106370.db2.gz PEOVRZYJOQQSKO-ADRPCIBZSA-N 1 2 235.287 1.107 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC2(CC2)C1 ZINC000493069629 226117671 /nfs/dbraw/zinc/11/76/71/226117671.db2.gz IIWOPQZXBMROII-OWOJBTEDSA-N 1 2 203.245 1.045 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOC1CCCC1 ZINC000493151978 226140687 /nfs/dbraw/zinc/14/06/87/226140687.db2.gz KQEABSWNBHMYBR-AATRIKPKSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1cnccn1 ZINC000493199924 226153681 /nfs/dbraw/zinc/15/36/81/226153681.db2.gz DLYBEIRJVAVRQI-IHWYPQMZSA-N 1 2 240.266 1.254 20 0 BDADLO CO[C@@H]([C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493226407 226160827 /nfs/dbraw/zinc/16/08/27/226160827.db2.gz VJFQWVLQQYTUHA-OTDQVHIESA-N 1 2 249.314 1.353 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(O)cc1F ZINC000493234531 226163103 /nfs/dbraw/zinc/16/31/03/226163103.db2.gz PAYIJRXAEGZVBT-DAFODLJHSA-N 1 2 247.229 1.906 20 0 BDADLO Cc1ccncc1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000493274180 226172738 /nfs/dbraw/zinc/17/27/38/226172738.db2.gz RSOHEYWCNJKRAI-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCC[C@@H]1CCOC1 ZINC000493280212 226174155 /nfs/dbraw/zinc/17/41/55/226174155.db2.gz ALHDDPSLRFTFND-PGLGOXFNSA-N 1 2 249.314 1.356 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493375512 226198318 /nfs/dbraw/zinc/19/83/18/226198318.db2.gz YYCCIDLPEIDCFU-BXXZLRJFSA-N 1 2 249.314 1.042 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@H](C2CC2)C1 ZINC000493420493 226211445 /nfs/dbraw/zinc/21/14/45/226211445.db2.gz OBIUBLBHCMSGAJ-MVZIDQBPSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N(CCCCO)C1CC1 ZINC000493487143 226230494 /nfs/dbraw/zinc/23/04/94/226230494.db2.gz LZZVCADGZHJNDZ-WAYWQWQTSA-N 1 2 249.314 1.186 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493490883 226232042 /nfs/dbraw/zinc/23/20/42/226232042.db2.gz JYGODWSJXVIEIM-BNEREYBLSA-N 1 2 205.261 1.195 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC12CC2 ZINC000493494526 226232736 /nfs/dbraw/zinc/23/27/36/226232736.db2.gz UYYPSPFEPACUMS-GPYPMJJRSA-N 1 2 203.245 1.092 20 0 BDADLO O=C(/C=C/C1CCCC1)NCCc1[nH]cc[nH+]1 ZINC000493561149 226243496 /nfs/dbraw/zinc/24/34/96/226243496.db2.gz YGLDBKGDGIUZMM-AATRIKPKSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCCF ZINC000493574886 226244141 /nfs/dbraw/zinc/24/41/41/226244141.db2.gz BNNWFLVYQSOOOF-ONEGZZNKSA-N 1 2 211.240 1.289 20 0 BDADLO COC[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493661965 226248341 /nfs/dbraw/zinc/24/83/41/226248341.db2.gz YMECFNWOKQDSMP-FJOGCWAESA-N 1 2 249.314 1.450 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493707972 226250333 /nfs/dbraw/zinc/25/03/33/226250333.db2.gz PNGHCSHYZFGZPD-LGYSABEFSA-N 1 2 205.261 1.338 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C/C2CCCC2)c1 ZINC000493742630 226251863 /nfs/dbraw/zinc/25/18/63/226251863.db2.gz SZRQSXXGXQGFCP-VOTSOKGWSA-N 1 2 247.342 1.825 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cccs1 ZINC000493811789 226255121 /nfs/dbraw/zinc/25/51/21/226255121.db2.gz BODDGRCZCHGZLJ-ARJAWSKDSA-N 1 2 247.323 1.843 20 0 BDADLO CSC[C@H](O)C[N@H+](C)Cc1csc(C)n1 ZINC000493824136 226255785 /nfs/dbraw/zinc/25/57/85/226255785.db2.gz SPVYLXMRGCTGSB-SNVBAGLBSA-N 1 2 246.401 1.607 20 0 BDADLO CSC[C@H](O)C[N@@H+](C)Cc1csc(C)n1 ZINC000493824136 226255786 /nfs/dbraw/zinc/25/57/86/226255786.db2.gz SPVYLXMRGCTGSB-SNVBAGLBSA-N 1 2 246.401 1.607 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCC(F)(F)F ZINC000493828255 226255995 /nfs/dbraw/zinc/25/59/95/226255995.db2.gz USPKHWZOJCJBBW-NSCUHMNNSA-N 1 2 247.220 1.882 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1C=CCCC1 ZINC000493847208 226256910 /nfs/dbraw/zinc/25/69/10/226256910.db2.gz FYDACOUJXAKPCJ-VQCYPWCPSA-N 1 2 217.272 1.648 20 0 BDADLO C[C@]1(F)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493849561 226257232 /nfs/dbraw/zinc/25/72/32/226257232.db2.gz IHLJVEOTEYXRRD-PCAWENJQSA-N 1 2 237.278 1.774 20 0 BDADLO C[C@H](CO)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000494893301 226270895 /nfs/dbraw/zinc/27/08/95/226270895.db2.gz NBPRCQKMPQXYBU-MWLCHTKSSA-N 1 2 238.335 1.397 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000494954171 226272368 /nfs/dbraw/zinc/27/23/68/226272368.db2.gz GOSNNLFERWWODT-SFAKSCPVSA-N 1 2 248.326 1.442 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000494954171 226272369 /nfs/dbraw/zinc/27/23/69/226272369.db2.gz GOSNNLFERWWODT-SFAKSCPVSA-N 1 2 248.326 1.442 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2NC(=O)O[C@@H]2C)c(C)[nH+]1 ZINC000496628317 226310200 /nfs/dbraw/zinc/31/02/00/226310200.db2.gz VEWROVIQJPNWMH-PSASIEDQSA-N 1 2 249.270 1.134 20 0 BDADLO Cc1cc(NCCC[C@H]2CCOC2)nc[nH+]1 ZINC000402321293 226369821 /nfs/dbraw/zinc/36/98/21/226369821.db2.gz RSNUOPMCXPGAOS-NSHDSACASA-N 1 2 221.304 1.436 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC(C)(C)C2)n1 ZINC000507557084 226369880 /nfs/dbraw/zinc/36/98/80/226369880.db2.gz YNPKYJHIDKSQFI-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC(C)(C)C2)n1 ZINC000507557084 226369881 /nfs/dbraw/zinc/36/98/81/226369881.db2.gz YNPKYJHIDKSQFI-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO CCn1c[nH+]cc1CN=c1cc(C)o[nH]1 ZINC000557078075 322934012 /nfs/dbraw/zinc/93/40/12/322934012.db2.gz KERXMECHMQSCHB-UHFFFAOYSA-N 1 2 206.249 1.233 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665875310 487688409 /nfs/dbraw/zinc/68/84/09/487688409.db2.gz CLGBSDCCYVVWAI-ZJUUUORDSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665875310 487688412 /nfs/dbraw/zinc/68/84/12/487688412.db2.gz CLGBSDCCYVVWAI-ZJUUUORDSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665875403 487689741 /nfs/dbraw/zinc/68/97/41/487689741.db2.gz FWIAJUIWWZMHRZ-HBNTYKKESA-N 1 2 235.331 1.828 20 0 BDADLO O[C@@H]1C[N@H+](CCCCF)CC(F)(F)C1 ZINC000671688797 487692687 /nfs/dbraw/zinc/69/26/87/487692687.db2.gz WQOBEGQOXACQBF-QMMMGPOBSA-N 1 2 211.227 1.438 20 0 BDADLO O[C@@H]1C[N@@H+](CCCCF)CC(F)(F)C1 ZINC000671688797 487692690 /nfs/dbraw/zinc/69/26/90/487692690.db2.gz WQOBEGQOXACQBF-QMMMGPOBSA-N 1 2 211.227 1.438 20 0 BDADLO O=C1N=NC2C[N@@H+]([C@H]3C=CCCCCC3)CCN12 ZINC000555426761 487693703 /nfs/dbraw/zinc/69/37/03/487693703.db2.gz XQICFARUPXKDKN-NSHDSACASA-N 1 2 248.330 1.688 20 0 BDADLO O=C1N=NC2C[N@H+]([C@H]3C=CCCCCC3)CCN12 ZINC000555426761 487693707 /nfs/dbraw/zinc/69/37/07/487693707.db2.gz XQICFARUPXKDKN-NSHDSACASA-N 1 2 248.330 1.688 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccon2)n(C)n1 ZINC000088053947 487696194 /nfs/dbraw/zinc/69/61/94/487696194.db2.gz WQAJWEKCXGURTN-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO C[C@H]1N(Cc2c[nH+]c3n2CCC3)CCOC1(C)C ZINC000667651128 487697223 /nfs/dbraw/zinc/69/72/23/487697223.db2.gz NFAPQSFNZLOVPK-LLVKDONJSA-N 1 2 249.358 1.829 20 0 BDADLO O[C@H](C[N@@H+]1Cc2cccnc2C1)CC1(O)CCC1 ZINC000528493855 262864847 /nfs/dbraw/zinc/86/48/47/262864847.db2.gz IPDPETQREIQVPU-LBPRGKRZSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@H](C[N@H+]1Cc2cccnc2C1)CC1(O)CCC1 ZINC000528493855 262864848 /nfs/dbraw/zinc/86/48/48/262864848.db2.gz IPDPETQREIQVPU-LBPRGKRZSA-N 1 2 248.326 1.063 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671710508 487701640 /nfs/dbraw/zinc/70/16/40/487701640.db2.gz GNPHWWSJTCBKGC-IWSPIJDZSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671710508 487701643 /nfs/dbraw/zinc/70/16/43/487701643.db2.gz GNPHWWSJTCBKGC-IWSPIJDZSA-N 1 2 241.253 1.673 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1c[nH+]c[nH]1 ZINC000671711680 487702820 /nfs/dbraw/zinc/70/28/20/487702820.db2.gz IHMALFCSLQSTCG-CBAPKCEASA-N 1 2 249.236 1.561 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1c[nH]c[nH+]1 ZINC000671711680 487702826 /nfs/dbraw/zinc/70/28/26/487702826.db2.gz IHMALFCSLQSTCG-CBAPKCEASA-N 1 2 249.236 1.561 20 0 BDADLO CC1(C[N@@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC000683839286 487705001 /nfs/dbraw/zinc/70/50/01/487705001.db2.gz HJCQEIDOUFMZDO-MRVPVSSYSA-N 1 2 205.248 1.488 20 0 BDADLO CC1(C[N@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC000683839286 487705004 /nfs/dbraw/zinc/70/50/04/487705004.db2.gz HJCQEIDOUFMZDO-MRVPVSSYSA-N 1 2 205.248 1.488 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC12CCC2 ZINC000675326724 487706270 /nfs/dbraw/zinc/70/62/70/487706270.db2.gz GYOPGJLRPXTIDV-SNVBAGLBSA-N 1 2 216.284 1.941 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(O)c(F)c1 ZINC000681053037 487707718 /nfs/dbraw/zinc/70/77/18/487707718.db2.gz PBYWPDTVSJDANK-UHFFFAOYSA-N 1 2 249.245 1.493 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC12CCC2 ZINC000675330306 487707950 /nfs/dbraw/zinc/70/79/50/487707950.db2.gz JSUBHGJJJRFPIL-QMMMGPOBSA-N 1 2 205.261 1.216 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000082680284 487719158 /nfs/dbraw/zinc/71/91/58/487719158.db2.gz PMNDGURJNCLNSV-YIZRAAEISA-N 1 2 239.237 1.163 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000082680284 487719161 /nfs/dbraw/zinc/71/91/61/487719161.db2.gz PMNDGURJNCLNSV-YIZRAAEISA-N 1 2 239.237 1.163 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[nH+]1 ZINC000631165577 487719988 /nfs/dbraw/zinc/71/99/88/487719988.db2.gz NXPHHKGKDVQMKV-BBBLOLIVSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(N)[nH+]1 ZINC000631165577 487719987 /nfs/dbraw/zinc/71/99/87/487719987.db2.gz NXPHHKGKDVQMKV-BBBLOLIVSA-N 1 2 249.318 1.132 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1ncc[nH]1 ZINC000668895013 487723362 /nfs/dbraw/zinc/72/33/62/487723362.db2.gz AIFWHHJQKKBRGT-UHFFFAOYSA-N 1 2 245.286 1.037 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)C[C@H]2CCOC2)c[nH+]1 ZINC000675416370 487725096 /nfs/dbraw/zinc/72/50/96/487725096.db2.gz RXKXGUDPNKDBJA-WCBMZHEXSA-N 1 2 237.303 1.263 20 0 BDADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C/Cl ZINC000733614463 584951262 /nfs/dbraw/zinc/95/12/62/584951262.db2.gz PCBGSXZITLGUMZ-JKKBLNIGSA-N 1 2 239.768 1.492 20 0 BDADLO CCCN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000665695957 487733717 /nfs/dbraw/zinc/73/37/17/487733717.db2.gz VECWZYQPGNYPQA-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CCCN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000665695957 487733722 /nfs/dbraw/zinc/73/37/22/487733722.db2.gz VECWZYQPGNYPQA-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CC[C@@H](COC)Nc1nc[nH+]c2c1OCCN2 ZINC000665701953 487735064 /nfs/dbraw/zinc/73/50/64/487735064.db2.gz LFGZZSHEWCZKGH-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO CC[C@@H](COC)Nc1[nH+]cnc2c1OCCN2 ZINC000665701953 487735068 /nfs/dbraw/zinc/73/50/68/487735068.db2.gz LFGZZSHEWCZKGH-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO OC[C@H](CC1CC1)Nc1cc(NC2CC2)[nH+]cn1 ZINC000665708677 487735497 /nfs/dbraw/zinc/73/54/97/487735497.db2.gz BJGUOUCAZZJAJO-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO OC[C@H](CC1CC1)Nc1cc(NC2CC2)nc[nH+]1 ZINC000665708677 487735502 /nfs/dbraw/zinc/73/55/02/487735502.db2.gz BJGUOUCAZZJAJO-NSHDSACASA-N 1 2 248.330 1.624 20 0 BDADLO CCN(c1cc(C)[nH+]cn1)[C@H]1CCCOC1 ZINC000651415854 487736475 /nfs/dbraw/zinc/73/64/75/487736475.db2.gz PKJNMJMYNAENDJ-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO CC1=C[C@@H](C)CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665716440 487739070 /nfs/dbraw/zinc/73/90/70/487739070.db2.gz DAVOHWVMVIXLGT-SECBINFHSA-N 1 2 246.314 1.683 20 0 BDADLO CC1=C[C@@H](C)CN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665716440 487739076 /nfs/dbraw/zinc/73/90/76/487739076.db2.gz DAVOHWVMVIXLGT-SECBINFHSA-N 1 2 246.314 1.683 20 0 BDADLO C[C@H]1CN(c2nc(N)c3ccccc3[nH+]2)C[C@H]1O ZINC000678152829 487740541 /nfs/dbraw/zinc/74/05/41/487740541.db2.gz WPWMKJSUZUKLIO-GZMMTYOYSA-N 1 2 244.298 1.029 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666177986 487745791 /nfs/dbraw/zinc/74/57/91/487745791.db2.gz GOFHGNSXOGRBNQ-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666177986 487745795 /nfs/dbraw/zinc/74/57/95/487745795.db2.gz GOFHGNSXOGRBNQ-SNVBAGLBSA-N 1 2 235.331 1.773 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667830405 487745929 /nfs/dbraw/zinc/74/59/29/487745929.db2.gz ORJWXJFVYSLQJP-VHSXEESVSA-N 1 2 233.315 1.383 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667830405 487745939 /nfs/dbraw/zinc/74/59/39/487745939.db2.gz ORJWXJFVYSLQJP-VHSXEESVSA-N 1 2 233.315 1.383 20 0 BDADLO COc1ccc(N[C@H](C)c2[nH+]ccn2C)nc1 ZINC000679068869 487749305 /nfs/dbraw/zinc/74/93/05/487749305.db2.gz RJRGIKMSLKHYDV-SECBINFHSA-N 1 2 232.287 1.997 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@H]1CCOC1 ZINC000741784205 585118377 /nfs/dbraw/zinc/11/83/77/585118377.db2.gz HVDDFZYPVIWSRA-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCOC1 ZINC000741784205 585118378 /nfs/dbraw/zinc/11/83/78/585118378.db2.gz HVDDFZYPVIWSRA-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCCC2)[C@@H]1CCOC1 ZINC000649522057 487758891 /nfs/dbraw/zinc/75/88/91/487758891.db2.gz KPSGQPIJEITJDC-CYBMUJFWSA-N 1 2 235.331 1.440 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCCC2)[C@@H]1CCOC1 ZINC000649522057 487758896 /nfs/dbraw/zinc/75/88/96/487758896.db2.gz KPSGQPIJEITJDC-CYBMUJFWSA-N 1 2 235.331 1.440 20 0 BDADLO Cc1cnc(NC(=O)N[C@@H](C)c2[nH+]ccn2C)o1 ZINC000666228321 487764355 /nfs/dbraw/zinc/76/43/55/487764355.db2.gz OOMLOIRFYLXPNN-QMMMGPOBSA-N 1 2 249.274 1.599 20 0 BDADLO C[C@H](O)CNc1cc(NCCC2CC2)[nH+]cn1 ZINC000298854731 487768156 /nfs/dbraw/zinc/76/81/56/487768156.db2.gz JDEJCRBNYLTPMC-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO C[C@H](O)CNc1cc(NCCC2CC2)nc[nH+]1 ZINC000298854731 487768160 /nfs/dbraw/zinc/76/81/60/487768160.db2.gz JDEJCRBNYLTPMC-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO Cc1c[nH]cc1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681362839 487784653 /nfs/dbraw/zinc/78/46/53/487784653.db2.gz MFTHJRNQHROYMO-UHFFFAOYSA-N 1 2 244.298 1.458 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226483 487789152 /nfs/dbraw/zinc/78/91/52/487789152.db2.gz SEHIFZPVHFHRPP-YWVKMMECSA-N 1 2 228.311 1.333 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226483 487789158 /nfs/dbraw/zinc/78/91/58/487789158.db2.gz SEHIFZPVHFHRPP-YWVKMMECSA-N 1 2 228.311 1.333 20 0 BDADLO COC[C@H]1CCC[N@H+](CC(F)F)CC1 ZINC000650337598 487790390 /nfs/dbraw/zinc/79/03/90/487790390.db2.gz SQMMBNQDERJFGJ-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO COC[C@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000650337598 487790399 /nfs/dbraw/zinc/79/03/99/487790399.db2.gz SQMMBNQDERJFGJ-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO Cn1cc(C[NH+]2CC3(CC3)C2)c(C(F)F)n1 ZINC000335376129 487793797 /nfs/dbraw/zinc/79/37/97/487793797.db2.gz RPFDUQGZRUELMI-UHFFFAOYSA-N 1 2 227.258 1.954 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1ccon1 ZINC000684209151 487794094 /nfs/dbraw/zinc/79/40/94/487794094.db2.gz ZOLMVLCAIUNUNO-YUMQZZPRSA-N 1 2 209.249 1.096 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000681407179 487795049 /nfs/dbraw/zinc/79/50/49/487795049.db2.gz NFZXTDJCHWGHNI-LLVKDONJSA-N 1 2 235.331 1.725 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000681407179 487795055 /nfs/dbraw/zinc/79/50/55/487795055.db2.gz NFZXTDJCHWGHNI-LLVKDONJSA-N 1 2 235.331 1.725 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000681407179 487795068 /nfs/dbraw/zinc/79/50/68/487795068.db2.gz NFZXTDJCHWGHNI-LLVKDONJSA-N 1 2 235.331 1.725 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652142235 487794675 /nfs/dbraw/zinc/79/46/75/487794675.db2.gz LPLQQYBUEXYHOC-PWSUYJOCSA-N 1 2 247.342 1.677 20 0 BDADLO CC(C)[N@@H+](Cc1ccn(C)c(=O)c1)CC(F)F ZINC000676041138 487802517 /nfs/dbraw/zinc/80/25/17/487802517.db2.gz BPQAGEOELHUBAN-UHFFFAOYSA-N 1 2 244.285 1.861 20 0 BDADLO CC(C)[N@H+](Cc1ccn(C)c(=O)c1)CC(F)F ZINC000676041138 487802521 /nfs/dbraw/zinc/80/25/21/487802521.db2.gz BPQAGEOELHUBAN-UHFFFAOYSA-N 1 2 244.285 1.861 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccsc1 ZINC000309241129 487805986 /nfs/dbraw/zinc/80/59/86/487805986.db2.gz ASGZKSQMDJEOBO-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO Cn1cc[nH+]c1CNc1cc(C(C)(C)C)ncn1 ZINC000385800311 487807600 /nfs/dbraw/zinc/80/76/00/487807600.db2.gz LQSDNFFFEXGMHI-UHFFFAOYSA-N 1 2 245.330 1.542 20 0 BDADLO Cc1ccc(NCCCCn2cc[nH+]c2)nn1 ZINC000045108235 487808184 /nfs/dbraw/zinc/80/81/84/487808184.db2.gz SYRNEVYDIJKHHZ-UHFFFAOYSA-N 1 2 231.303 1.874 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC=CCC2)[nH+]1 ZINC000676080546 487810529 /nfs/dbraw/zinc/81/05/29/487810529.db2.gz QFOUJRRXLYFPQI-SNVBAGLBSA-N 1 2 233.319 1.767 20 0 BDADLO Cc1nc(N[C@@H]2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000676080546 487810533 /nfs/dbraw/zinc/81/05/33/487810533.db2.gz QFOUJRRXLYFPQI-SNVBAGLBSA-N 1 2 233.319 1.767 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)c1ccncc1 ZINC000676156881 487817132 /nfs/dbraw/zinc/81/71/32/487817132.db2.gz KYBGGFSBVSFUNR-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccncc1 ZINC000676156881 487817137 /nfs/dbraw/zinc/81/71/37/487817137.db2.gz KYBGGFSBVSFUNR-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO COc1ccc(NCc2cnc(C)nc2)[nH+]c1 ZINC000676201032 487819912 /nfs/dbraw/zinc/81/99/12/487819912.db2.gz FVMALJRJDQKHFW-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1[C@H](C)O ZINC000666493653 487820293 /nfs/dbraw/zinc/82/02/93/487820293.db2.gz LLJRRGGSLKWQBJ-CMPLNLGQSA-N 1 2 249.314 1.189 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000229115742 487820483 /nfs/dbraw/zinc/82/04/83/487820483.db2.gz GVPMMMJGMYCJJE-RKDXNWHRSA-N 1 2 241.360 1.708 20 0 BDADLO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1cscn1 ZINC000229134838 487824879 /nfs/dbraw/zinc/82/48/79/487824879.db2.gz ORIOCPGKKAPLAI-SECBINFHSA-N 1 2 239.344 1.416 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000681653138 487831011 /nfs/dbraw/zinc/83/10/11/487831011.db2.gz ZARQXZRZBHAZQG-WDEREUQCSA-N 1 2 248.330 1.504 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1F ZINC000679259043 487835938 /nfs/dbraw/zinc/83/59/38/487835938.db2.gz ZBZSNYODUYBPKL-MNOVXSKESA-N 1 2 239.294 1.480 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1F ZINC000679259036 487836054 /nfs/dbraw/zinc/83/60/54/487836054.db2.gz ZBZSNYODUYBPKL-GHMZBOCLSA-N 1 2 239.294 1.480 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@@H](C)CC(C)C ZINC000842035865 587991981 /nfs/dbraw/zinc/99/19/81/587991981.db2.gz FPPLJPBFSKCNLF-DTWKUNHWSA-N 1 2 202.298 1.954 20 0 BDADLO C[N@@H+](Cn1cc(Cl)cn1)[C@@H]1CCOC1 ZINC000106857657 588313440 /nfs/dbraw/zinc/31/34/40/588313440.db2.gz DMPVPUIMKXQKBC-SECBINFHSA-N 1 2 215.684 1.215 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOC(F)F)o1 ZINC000849321752 588472103 /nfs/dbraw/zinc/47/21/03/588472103.db2.gz ABZVBYJSMQSZDQ-YFKPBYRVSA-N 1 2 221.207 1.268 20 0 BDADLO NC(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000851880539 588639485 /nfs/dbraw/zinc/63/94/85/588639485.db2.gz BJOZNTGHEMYAFV-LURJTMIESA-N 1 2 238.118 1.048 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2n[nH]c3ccccc32)C[C@@H]1O ZINC000681698999 487843282 /nfs/dbraw/zinc/84/32/82/487843282.db2.gz QBNGSBKEILPZBM-OLZOCXBDSA-N 1 2 245.326 1.812 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnn1CC ZINC000505608100 529309612 /nfs/dbraw/zinc/30/96/12/529309612.db2.gz HDCGGLPYFAKHDJ-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccnn1CC ZINC000505608100 529309615 /nfs/dbraw/zinc/30/96/15/529309615.db2.gz HDCGGLPYFAKHDJ-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@]1(F)CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000334254596 487862333 /nfs/dbraw/zinc/86/23/33/487862333.db2.gz YAERTSQEZFIRSJ-NSHDSACASA-N 1 2 240.282 1.027 20 0 BDADLO Cc1nnccc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000666700997 487863262 /nfs/dbraw/zinc/86/32/62/487863262.db2.gz ZDXUAECUKNPPSX-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO Cc1nnccc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000666700997 487863266 /nfs/dbraw/zinc/86/32/66/487863266.db2.gz ZDXUAECUKNPPSX-UHFFFAOYSA-N 1 2 246.274 1.172 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000668510452 487868331 /nfs/dbraw/zinc/86/83/31/487868331.db2.gz SKFHOEVYWCPKND-KXUCPTDWSA-N 1 2 236.319 1.229 20 0 BDADLO Cc1nccc(C(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC000676587937 487877440 /nfs/dbraw/zinc/87/74/40/487877440.db2.gz JVQXYHMDKJAUSJ-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000559341784 322963774 /nfs/dbraw/zinc/96/37/74/322963774.db2.gz HSEFTRTVSJQWCW-WDEREUQCSA-N 1 2 248.330 1.360 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cscn1 ZINC000309539556 322964067 /nfs/dbraw/zinc/96/40/67/322964067.db2.gz FPECUQTZNRXXEP-ZCFIWIBFSA-N 1 2 249.286 1.175 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCC3(CC3)C2)c1 ZINC000596220701 487882429 /nfs/dbraw/zinc/88/24/29/487882429.db2.gz QZRVYVZOSMHFPJ-UHFFFAOYSA-N 1 2 246.310 1.787 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1n[nH]cc1C ZINC000669440199 487885011 /nfs/dbraw/zinc/88/50/11/487885011.db2.gz KFGQFBPQGPTYBI-UHFFFAOYSA-N 1 2 232.243 1.374 20 0 BDADLO Cn1ccnc1C[NH+]1CC2(CC(F)C2)C1 ZINC000677132720 487889679 /nfs/dbraw/zinc/88/96/79/487889679.db2.gz OJBSAOXPGMMBAZ-UHFFFAOYSA-N 1 2 209.268 1.354 20 0 BDADLO Cn1cc[nH+]c1CN1CC2(CC(F)C2)C1 ZINC000677132720 487889682 /nfs/dbraw/zinc/88/96/82/487889682.db2.gz OJBSAOXPGMMBAZ-UHFFFAOYSA-N 1 2 209.268 1.354 20 0 BDADLO CCc1cc(N(C)Cc2ccc(N)[nH+]c2)ncn1 ZINC000682080201 487904800 /nfs/dbraw/zinc/90/48/00/487904800.db2.gz DZTKZWFPWNLCIK-UHFFFAOYSA-N 1 2 243.314 1.653 20 0 BDADLO COC(=O)C[N@H+](Cc1ccn(C)c1)C(C)C ZINC000093287097 487910198 /nfs/dbraw/zinc/91/01/98/487910198.db2.gz UUYXQOBPDUBLKY-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccn(C)c1)C(C)C ZINC000093287097 487910202 /nfs/dbraw/zinc/91/02/02/487910202.db2.gz UUYXQOBPDUBLKY-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)CCCF ZINC000667000711 487926079 /nfs/dbraw/zinc/92/60/79/487926079.db2.gz MBABRUYWLHQPPB-UHFFFAOYSA-N 1 2 225.267 1.836 20 0 BDADLO Cc1c[nH+]c(C)c(NCc2cnnn2C)c1 ZINC000404591139 487928163 /nfs/dbraw/zinc/92/81/63/487928163.db2.gz XORYSLLMMFCOKK-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)nn1 ZINC000669932892 487936275 /nfs/dbraw/zinc/93/62/75/487936275.db2.gz TYDGMOQYSSOVKR-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)nn1 ZINC000669932892 487936279 /nfs/dbraw/zinc/93/62/79/487936279.db2.gz TYDGMOQYSSOVKR-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO CCC[C@H](O)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000682363680 487939408 /nfs/dbraw/zinc/93/94/08/487939408.db2.gz RIRGVCGOIWYOHA-UWVGGRQHSA-N 1 2 239.319 1.528 20 0 BDADLO CO[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000679934054 487945548 /nfs/dbraw/zinc/94/55/48/487945548.db2.gz WAFFHMWATDZWCU-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nnc(C2CC2)n1C ZINC000684617644 487946390 /nfs/dbraw/zinc/94/63/90/487946390.db2.gz APXDFONACGWRTI-UHFFFAOYSA-N 1 2 246.318 1.048 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nnc(C2CC2)n1C ZINC000684617644 487946394 /nfs/dbraw/zinc/94/63/94/487946394.db2.gz APXDFONACGWRTI-UHFFFAOYSA-N 1 2 246.318 1.048 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCO[C@H](C)C1 ZINC000569504687 322968491 /nfs/dbraw/zinc/96/84/91/322968491.db2.gz XEYSINSFRMJGLL-PWSUYJOCSA-N 1 2 235.331 1.742 20 0 BDADLO Cc1nnc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)s1 ZINC000561107891 322995492 /nfs/dbraw/zinc/99/54/92/322995492.db2.gz IZGXODVTNVHVIE-SSDOTTSWSA-N 1 2 240.332 1.125 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561144326 322995928 /nfs/dbraw/zinc/99/59/28/322995928.db2.gz FKWMEACDVZJAEL-MXWKQRLJSA-N 1 2 233.315 1.218 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000561525580 323003531 /nfs/dbraw/zinc/00/35/31/323003531.db2.gz GVFWFJMMPAHEJN-NSHDSACASA-N 1 2 249.358 1.857 20 0 BDADLO CC[C@@H]1CN(c2[nH+]cccc2OC)C[C@H]1O ZINC000400057516 323013842 /nfs/dbraw/zinc/01/38/42/323013842.db2.gz XPGDSWNKQVZYOE-NXEZZACHSA-N 1 2 222.288 1.297 20 0 BDADLO O=C([C@@H]1CCCOCC1)N1CC(n2cc[nH+]c2)C1 ZINC000562367884 323018407 /nfs/dbraw/zinc/01/84/07/323018407.db2.gz PSTNECCPXJLRIR-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cocn1 ZINC000562379068 323018567 /nfs/dbraw/zinc/01/85/67/323018567.db2.gz AWMXVPURLGSSFY-CYBMUJFWSA-N 1 2 232.283 1.806 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCCCF ZINC000562396126 323019048 /nfs/dbraw/zinc/01/90/48/323019048.db2.gz HTMQENQYZKRSTL-UHFFFAOYSA-N 1 2 241.266 1.249 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000562560660 323024487 /nfs/dbraw/zinc/02/44/87/323024487.db2.gz TZIZNDUFIRGMFF-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000562560660 323024488 /nfs/dbraw/zinc/02/44/88/323024488.db2.gz TZIZNDUFIRGMFF-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)COC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000562738060 323029585 /nfs/dbraw/zinc/02/95/85/323029585.db2.gz LNFXPWDQMGFQDQ-SSDOTTSWSA-N 1 2 247.751 1.706 20 0 BDADLO C[C@H](c1cccnc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000562817523 323031452 /nfs/dbraw/zinc/03/14/52/323031452.db2.gz UIHGLUCARBVRMJ-LLVKDONJSA-N 1 2 244.298 1.498 20 0 BDADLO CC(C)=CCCNC(=O)Cc1c[nH+]cn1C ZINC000569758914 323039951 /nfs/dbraw/zinc/03/99/51/323039951.db2.gz BNPJVXYTJUCIBN-UHFFFAOYSA-N 1 2 221.304 1.435 20 0 BDADLO OC1(C[NH2+]Cc2noc(C3CC3)n2)CCCC1 ZINC000569837724 323042201 /nfs/dbraw/zinc/04/22/01/323042201.db2.gz URTFDZOQIQREFX-UHFFFAOYSA-N 1 2 237.303 1.342 20 0 BDADLO CC(=O)NCCN(C)Cc1[nH+]ccn1C(C)C ZINC000569924968 323044668 /nfs/dbraw/zinc/04/46/68/323044668.db2.gz UCQPMSIYHJAFMW-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1nccn1C(C)C ZINC000569924968 323044669 /nfs/dbraw/zinc/04/46/69/323044669.db2.gz UCQPMSIYHJAFMW-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1nccn1C(C)C ZINC000569924968 323044670 /nfs/dbraw/zinc/04/46/70/323044670.db2.gz UCQPMSIYHJAFMW-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO COC(=O)C(C)(C)CNc1nc(C)[nH+]cc1C ZINC000570226861 323053819 /nfs/dbraw/zinc/05/38/19/323053819.db2.gz SGENFWWHOOQNHU-UHFFFAOYSA-N 1 2 237.303 1.126 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)N1CCn2c[nH+]cc2C1 ZINC000570265859 323054252 /nfs/dbraw/zinc/05/42/52/323054252.db2.gz GRRMYVQRUBOVIA-JTQLQIEISA-N 1 2 246.314 1.208 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nccs1 ZINC000570291497 323055397 /nfs/dbraw/zinc/05/53/97/323055397.db2.gz KXMDDXUDVHGTJH-SSDOTTSWSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nccs1 ZINC000570291497 323055398 /nfs/dbraw/zinc/05/53/98/323055398.db2.gz KXMDDXUDVHGTJH-SSDOTTSWSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@H](O)[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000570421436 323059117 /nfs/dbraw/zinc/05/91/17/323059117.db2.gz XEAKNBRRBJIRIJ-JOYOIKCWSA-N 1 2 247.298 1.149 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCc2cncnc2C1 ZINC000570652907 323066011 /nfs/dbraw/zinc/06/60/11/323066011.db2.gz VKAWBYYWKILGHO-UHFFFAOYSA-N 1 2 241.298 1.446 20 0 BDADLO CC(C)(C)c1nnc(C[NH2+]CC2(F)CC2)[nH]1 ZINC000570660449 323066251 /nfs/dbraw/zinc/06/62/51/323066251.db2.gz VQGCCZIYNIUCPP-UHFFFAOYSA-N 1 2 226.299 1.694 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000570863829 323073007 /nfs/dbraw/zinc/07/30/07/323073007.db2.gz KVDXWEXLBVTCJD-HOSYDEDBSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000570863829 323073008 /nfs/dbraw/zinc/07/30/08/323073008.db2.gz KVDXWEXLBVTCJD-HOSYDEDBSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000562996332 323078789 /nfs/dbraw/zinc/07/87/89/323078789.db2.gz ZYNBKGMRLFDIHZ-AAEUAGOBSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000562996332 323078790 /nfs/dbraw/zinc/07/87/90/323078790.db2.gz ZYNBKGMRLFDIHZ-AAEUAGOBSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@H]([NH2+]Cc1ncnn1C)c1cccc(O)c1 ZINC000181532446 323079018 /nfs/dbraw/zinc/07/90/18/323079018.db2.gz LDRJUVFXDFLIAU-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO O[C@@H]1CC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000563018966 323080009 /nfs/dbraw/zinc/08/00/09/323080009.db2.gz RSMRQMFSGMPLOY-NXEZZACHSA-N 1 2 234.303 1.012 20 0 BDADLO O[C@@H]1CC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000563018966 323080010 /nfs/dbraw/zinc/08/00/10/323080010.db2.gz RSMRQMFSGMPLOY-NXEZZACHSA-N 1 2 234.303 1.012 20 0 BDADLO CC(C)OC1CC[NH+](Cc2ncnn2C)CC1 ZINC000531416340 323088989 /nfs/dbraw/zinc/08/89/89/323088989.db2.gz HLILEDVPEAZTAP-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H](Nc1nc(N)c2ccccc2[nH+]1)[C@@H](C)O ZINC000571032592 323104118 /nfs/dbraw/zinc/10/41/18/323104118.db2.gz MYDCIWPGTUWLDX-PSASIEDQSA-N 1 2 246.314 1.036 20 0 BDADLO CCCCCNC(=O)C[NH+]1CCSCC1 ZINC000047986850 323113246 /nfs/dbraw/zinc/11/32/46/323113246.db2.gz LHYBYLGPMJOHIK-UHFFFAOYSA-N 1 2 230.377 1.342 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531812840 323114710 /nfs/dbraw/zinc/11/47/10/323114710.db2.gz NWMCJRSFHUWJDD-DGCLKSJQSA-N 1 2 233.315 1.703 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531812842 323114730 /nfs/dbraw/zinc/11/47/30/323114730.db2.gz NWMCJRSFHUWJDD-YPMHNXCESA-N 1 2 233.315 1.703 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CCC1=O ZINC000534268288 323115235 /nfs/dbraw/zinc/11/52/35/323115235.db2.gz LBQAQMWFAVQQDD-GHMZBOCLSA-N 1 2 249.314 1.005 20 0 BDADLO Cc1[nH]c(CNc2cnn(C)c2C)[nH+]c1C ZINC000563441562 323126720 /nfs/dbraw/zinc/12/67/20/323126720.db2.gz YADKELWKNCMIAI-UHFFFAOYSA-N 1 2 219.292 1.681 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)[C@@H]2CCC[C@H]21 ZINC000571236845 323139100 /nfs/dbraw/zinc/13/91/00/323139100.db2.gz AZKMNXYBVCLXSP-VXGBXAGGSA-N 1 2 247.342 1.920 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000571316573 323141181 /nfs/dbraw/zinc/14/11/81/323141181.db2.gz VCLOSHUJXPRVBG-JQWIXIFHSA-N 1 2 218.300 1.965 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000571316573 323141182 /nfs/dbraw/zinc/14/11/82/323141182.db2.gz VCLOSHUJXPRVBG-JQWIXIFHSA-N 1 2 218.300 1.965 20 0 BDADLO CO[C@H]1C[N@H+](Cc2nnc(C)o2)CC[C@H]1C ZINC000252039602 323141272 /nfs/dbraw/zinc/14/12/72/323141272.db2.gz ZFCIKRLBIFNSAD-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2nnc(C)o2)CC[C@H]1C ZINC000252039602 323141273 /nfs/dbraw/zinc/14/12/73/323141273.db2.gz ZFCIKRLBIFNSAD-SCZZXKLOSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1nc([C@@](C)(NCc2c[nH+]c[nH]2)C2CC2)no1 ZINC000571360869 323142738 /nfs/dbraw/zinc/14/27/38/323142738.db2.gz VTDUMPIRCSKDNW-LBPRGKRZSA-N 1 2 247.302 1.516 20 0 BDADLO Cc1nc([C@@](C)(NCc2c[nH]c[nH+]2)C2CC2)no1 ZINC000571360869 323142739 /nfs/dbraw/zinc/14/27/39/323142739.db2.gz VTDUMPIRCSKDNW-LBPRGKRZSA-N 1 2 247.302 1.516 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000571565061 323147736 /nfs/dbraw/zinc/14/77/36/323147736.db2.gz FRVOJQFSBABVGA-JTQLQIEISA-N 1 2 239.344 1.457 20 0 BDADLO Cc1nnsc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000571565061 323147737 /nfs/dbraw/zinc/14/77/37/323147737.db2.gz FRVOJQFSBABVGA-JTQLQIEISA-N 1 2 239.344 1.457 20 0 BDADLO Cc1ccc(CCNc2ncc(C)c(C)n2)c[nH+]1 ZINC000535007731 323163102 /nfs/dbraw/zinc/16/31/02/323163102.db2.gz RUFDWUXCUFLBMK-UHFFFAOYSA-N 1 2 242.326 1.873 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC(C)(C)C1CC1 ZINC000535027434 323163339 /nfs/dbraw/zinc/16/33/39/323163339.db2.gz DENIMQHFNQXUBR-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO Cc1cc(NC(=O)c2ncccc2O)cc[nH+]1 ZINC000112020323 323164924 /nfs/dbraw/zinc/16/49/24/323164924.db2.gz MBAPSXSHIVNBNM-UHFFFAOYSA-N 1 2 229.239 1.743 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CC[C@H]1SC ZINC000425370666 323173970 /nfs/dbraw/zinc/17/39/70/323173970.db2.gz OWEVTRDTYSBPCZ-GARJFASQSA-N 1 2 243.372 1.812 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000563728065 323176119 /nfs/dbraw/zinc/17/61/19/323176119.db2.gz BCLRQJUKVIQORE-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H](O)C2CCC2)c1Cl ZINC000316698535 323176216 /nfs/dbraw/zinc/17/62/16/323176216.db2.gz DWWGGPVVFQKSEH-SSDOTTSWSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H](O)C2CCC2)c1Cl ZINC000316698535 323176217 /nfs/dbraw/zinc/17/62/17/323176217.db2.gz DWWGGPVVFQKSEH-SSDOTTSWSA-N 1 2 242.710 1.285 20 0 BDADLO Cc1cc(NC(=O)NCC(C)(C)O)c(C)c[nH+]1 ZINC000535772466 323190925 /nfs/dbraw/zinc/19/09/25/323190925.db2.gz GYIHKTHWTGCOSA-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO CC(C)c1[nH+]c(CNC[C@@H](C)O)c2ccccn21 ZINC000563892406 323193748 /nfs/dbraw/zinc/19/37/48/323193748.db2.gz WRWOPDORJMAPMX-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO CC(C)[N@H+](Cc1cn(C)nn1)Cc1ccccn1 ZINC000536652185 323199441 /nfs/dbraw/zinc/19/94/41/323199441.db2.gz FASXAYNPLOALAK-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC(C)[N@@H+](Cc1cn(C)nn1)Cc1ccccn1 ZINC000536652185 323199442 /nfs/dbraw/zinc/19/94/42/323199442.db2.gz FASXAYNPLOALAK-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2nncs2)c2[nH+]ccn21 ZINC000530189260 323206665 /nfs/dbraw/zinc/20/66/65/323206665.db2.gz PANIJWHSOYGLCF-RNFRBKRXSA-N 1 2 249.299 1.170 20 0 BDADLO Cn1ccc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000532167305 323208384 /nfs/dbraw/zinc/20/83/84/323208384.db2.gz CZKIQGAHGGXALG-UHFFFAOYSA-N 1 2 246.314 1.432 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccoc1 ZINC000532197149 323208732 /nfs/dbraw/zinc/20/87/32/323208732.db2.gz LDSKDCDKKYALGG-SECBINFHSA-N 1 2 232.287 1.668 20 0 BDADLO O=C(C(C1CC1)C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000532795970 323298655 /nfs/dbraw/zinc/29/86/55/323298655.db2.gz VCANIXGBZJVXRZ-UHFFFAOYSA-N 1 2 245.326 1.703 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)CC1(F)CC1 ZINC000526970257 323309566 /nfs/dbraw/zinc/30/95/66/323309566.db2.gz NAPMIIUBYSXKCK-UHFFFAOYSA-N 1 2 216.300 1.289 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)CC1(F)CC1 ZINC000526970257 323309569 /nfs/dbraw/zinc/30/95/69/323309569.db2.gz NAPMIIUBYSXKCK-UHFFFAOYSA-N 1 2 216.300 1.289 20 0 BDADLO COC[C@H]([NH2+][C@H](C)c1noc(C)n1)C(C)C ZINC000309666784 323444780 /nfs/dbraw/zinc/44/47/80/323444780.db2.gz UMEVQMWLKYLBKC-SCZZXKLOSA-N 1 2 227.308 1.700 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](C(=O)N(C)C)C1 ZINC000528034331 323742782 /nfs/dbraw/zinc/74/27/82/323742782.db2.gz WIHPADAOGIXADD-JTQLQIEISA-N 1 2 249.314 1.005 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000528207188 323781128 /nfs/dbraw/zinc/78/11/28/323781128.db2.gz OZGHZZZTNVJHPT-COMAGPEQSA-N 1 2 247.342 2.000 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000528207184 323781402 /nfs/dbraw/zinc/78/14/02/323781402.db2.gz OZGHZZZTNVJHPT-BSTOTGJRSA-N 1 2 247.342 2.000 20 0 BDADLO C[C@H](NC(=O)N[C@@]12C[C@@H]1CCC2)c1[nH+]ccn1C ZINC000667246833 487960616 /nfs/dbraw/zinc/96/06/16/487960616.db2.gz RNCSQOAMDRBZMR-KWBADKCTSA-N 1 2 248.330 1.723 20 0 BDADLO C[C@H](NC(=O)N[C@]12C[C@H]1CCC2)c1[nH+]ccn1C ZINC000667246834 487960999 /nfs/dbraw/zinc/96/09/99/487960999.db2.gz RNCSQOAMDRBZMR-OPQQBVKSSA-N 1 2 248.330 1.723 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653539919 487961617 /nfs/dbraw/zinc/96/16/17/487961617.db2.gz QIBKIURFYJDBIQ-SNVBAGLBSA-N 1 2 237.351 1.803 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653539919 487961620 /nfs/dbraw/zinc/96/16/20/487961620.db2.gz QIBKIURFYJDBIQ-SNVBAGLBSA-N 1 2 237.351 1.803 20 0 BDADLO C[C@H](NC(=O)NC1(C)CC=CC1)c1[nH+]ccn1C ZINC000667246849 487961685 /nfs/dbraw/zinc/96/16/85/487961685.db2.gz SBCBHGUFEDATPP-JTQLQIEISA-N 1 2 248.330 1.889 20 0 BDADLO C[C@@H](NC(=O)N1CC2CC1(C)C2)c1[nH+]ccn1C ZINC000667246452 487961896 /nfs/dbraw/zinc/96/18/96/487961896.db2.gz HZJPUWTVBAGVET-TTXORMCVSA-N 1 2 248.330 1.675 20 0 BDADLO CCC1(NC(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000667249059 487962223 /nfs/dbraw/zinc/96/22/23/487962223.db2.gz LWFJYMRTEQLJQR-VIFPVBQESA-N 1 2 236.319 1.723 20 0 BDADLO Cc1occc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000123077909 324080334 /nfs/dbraw/zinc/08/03/34/324080334.db2.gz JXTQZSRXQVVCQL-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccsc1 ZINC000123082143 324081384 /nfs/dbraw/zinc/08/13/84/324081384.db2.gz PQUMWDZODJZINF-UHFFFAOYSA-N 1 2 221.285 1.444 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000537760320 324101986 /nfs/dbraw/zinc/10/19/86/324101986.db2.gz WTHHBSWSXFFYQP-UWVGGRQHSA-N 1 2 245.282 1.698 20 0 BDADLO CCN(C(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000667257012 487962614 /nfs/dbraw/zinc/96/26/14/487962614.db2.gz ZMITWPMNXIDJGG-VIFPVBQESA-N 1 2 236.319 1.675 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000529448430 324301260 /nfs/dbraw/zinc/30/12/60/324301260.db2.gz RZTMILWRPLHKNL-JIMOISOXSA-N 1 2 247.342 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000529448432 324301572 /nfs/dbraw/zinc/30/15/72/324301572.db2.gz RZTMILWRPLHKNL-TVYUQYBPSA-N 1 2 247.342 1.811 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000529666076 324373375 /nfs/dbraw/zinc/37/33/75/324373375.db2.gz JKGWYBOXTVDRHI-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000529666076 324373378 /nfs/dbraw/zinc/37/33/78/324373378.db2.gz JKGWYBOXTVDRHI-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO COc1cccc2c1CN(C[NH+]1CCCC1)C2=O ZINC000530095310 324469273 /nfs/dbraw/zinc/46/92/73/324469273.db2.gz KRQXJSDSKVXAJD-UHFFFAOYSA-N 1 2 246.310 1.704 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C)nc2C)no1 ZINC000125997055 324672554 /nfs/dbraw/zinc/67/25/54/324672554.db2.gz CUHOELUAPDOSDX-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO CC1(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000126249783 324689091 /nfs/dbraw/zinc/68/90/91/324689091.db2.gz HBRQTGBNYWESDJ-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CN(C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127541142 324773235 /nfs/dbraw/zinc/77/32/35/324773235.db2.gz AJFIBYCSZMJQMW-NSHDSACASA-N 1 2 235.287 1.216 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C12CCC(CC1)C2 ZINC000541474523 324959925 /nfs/dbraw/zinc/95/99/25/324959925.db2.gz DAKBJDRIBBARED-UHFFFAOYSA-N 1 2 233.315 1.915 20 0 BDADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccon1 ZINC000542912297 325062400 /nfs/dbraw/zinc/06/24/00/325062400.db2.gz JESRSLSRTWJCPG-LBPRGKRZSA-N 1 2 248.282 1.506 20 0 BDADLO Cc1cc(NCc2[nH]cc[nH+]2)nn1[C@H](C)C1CC1 ZINC000544176098 325133359 /nfs/dbraw/zinc/13/33/59/325133359.db2.gz HOKZEAXFBCFOGW-SNVBAGLBSA-N 1 2 245.330 1.920 20 0 BDADLO C[C@H]([NH2+]Cc1ccno1)c1nnc2ccccn21 ZINC000544483091 325145408 /nfs/dbraw/zinc/14/54/08/325145408.db2.gz TYGBBPIQNHLTGZ-VIFPVBQESA-N 1 2 243.270 1.568 20 0 BDADLO Cc1cc(NC(=O)c2ccc[nH]2)cc[nH+]1 ZINC000073069385 325187799 /nfs/dbraw/zinc/18/77/99/325187799.db2.gz DFBKCHSNZCSUJC-UHFFFAOYSA-N 1 2 201.229 1.970 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@]1(C)CO ZINC000545442802 325222557 /nfs/dbraw/zinc/22/25/57/325222557.db2.gz XBOTVLIURFTIEE-ZDUSSCGKSA-N 1 2 249.314 1.191 20 0 BDADLO c1cn(CCc2nc(Cc3ccon3)no2)c[nH+]1 ZINC000545718542 325233703 /nfs/dbraw/zinc/23/37/03/325233703.db2.gz ZGCVTXWETKAQFF-UHFFFAOYSA-N 1 2 245.242 1.088 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000565191366 325324156 /nfs/dbraw/zinc/32/41/56/325324156.db2.gz VTJZJALECADPJQ-ZMLRMANQSA-N 1 2 247.342 1.703 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000565191366 325324159 /nfs/dbraw/zinc/32/41/59/325324159.db2.gz VTJZJALECADPJQ-ZMLRMANQSA-N 1 2 247.342 1.703 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000076064031 325328471 /nfs/dbraw/zinc/32/84/71/325328471.db2.gz XLSNWTMEPIJPJV-SNVBAGLBSA-N 1 2 231.361 1.623 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000076064031 325328474 /nfs/dbraw/zinc/32/84/74/325328474.db2.gz XLSNWTMEPIJPJV-SNVBAGLBSA-N 1 2 231.361 1.623 20 0 BDADLO C[C@@H]1[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1(F)F ZINC000547308524 325338351 /nfs/dbraw/zinc/33/83/51/325338351.db2.gz RRLKYYVTOAQMSE-VXNVDRBHSA-N 1 2 241.241 1.168 20 0 BDADLO CSCC[N@H+](C)Cc1nc(C)no1 ZINC000134208447 325348434 /nfs/dbraw/zinc/34/84/34/325348434.db2.gz WPRUEWGPCJZEGM-UHFFFAOYSA-N 1 2 201.295 1.173 20 0 BDADLO CSCC[N@@H+](C)Cc1nc(C)no1 ZINC000134208447 325348436 /nfs/dbraw/zinc/34/84/36/325348436.db2.gz WPRUEWGPCJZEGM-UHFFFAOYSA-N 1 2 201.295 1.173 20 0 BDADLO Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000134493807 325361622 /nfs/dbraw/zinc/36/16/22/325361622.db2.gz OOISSOGBXOLSLG-UHFFFAOYSA-N 1 2 229.283 1.691 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@H]1C ZINC000134888279 325381264 /nfs/dbraw/zinc/38/12/64/325381264.db2.gz MVJLBLVHQQPJII-HTQZYQBOSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@H]1C ZINC000134888279 325381265 /nfs/dbraw/zinc/38/12/65/325381265.db2.gz MVJLBLVHQQPJII-HTQZYQBOSA-N 1 2 222.292 1.668 20 0 BDADLO O=C(C[C@H]1C=CCCC1)Nc1cc[nH+]cc1O ZINC000547665027 325381680 /nfs/dbraw/zinc/38/16/80/325381680.db2.gz XQCXQWBKQUGVQN-JTQLQIEISA-N 1 2 232.283 1.894 20 0 BDADLO CCOC(=O)C[N@H+](CCSCC)C1CC1 ZINC000135020414 325388976 /nfs/dbraw/zinc/38/89/76/325388976.db2.gz PHJHOALDFUYUDR-UHFFFAOYSA-N 1 2 231.361 1.767 20 0 BDADLO CCOC(=O)C[N@@H+](CCSCC)C1CC1 ZINC000135020414 325388977 /nfs/dbraw/zinc/38/89/77/325388977.db2.gz PHJHOALDFUYUDR-UHFFFAOYSA-N 1 2 231.361 1.767 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000135181719 325399409 /nfs/dbraw/zinc/39/94/09/325399409.db2.gz ZVUWGVBRNNNQEZ-VXGBXAGGSA-N 1 2 243.347 1.877 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC ZINC000135230311 325401391 /nfs/dbraw/zinc/40/13/91/325401391.db2.gz UYYGBLBFBDSYSA-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000548190933 325440174 /nfs/dbraw/zinc/44/01/74/325440174.db2.gz WGOTYNXEIPEHFK-AOOOYVTPSA-N 1 2 221.304 1.077 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC1=CCCC1 ZINC000548417388 325454786 /nfs/dbraw/zinc/45/47/86/325454786.db2.gz YHJLRVCIOSFDTN-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO CCn1cc[nH+]c1CN1Cc2cccnc2C1 ZINC000550662848 325536948 /nfs/dbraw/zinc/53/69/48/325536948.db2.gz FBEFZJATHHLWCR-UHFFFAOYSA-N 1 2 228.299 1.814 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000552029147 325589055 /nfs/dbraw/zinc/58/90/55/325589055.db2.gz KHGUIKWPBNCUEG-IUCAKERBSA-N 1 2 243.332 1.177 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](C)[C@H]1C ZINC000248185760 325602156 /nfs/dbraw/zinc/60/21/56/325602156.db2.gz XIDHBYUMLBOPEZ-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ccccc2O)C1 ZINC000553225978 325681835 /nfs/dbraw/zinc/68/18/35/325681835.db2.gz UCWGKRARCIXMAU-UHFFFAOYSA-N 1 2 234.299 1.673 20 0 BDADLO COc1cc[nH+]cc1CSCC(C)=O ZINC000553401042 325689034 /nfs/dbraw/zinc/68/90/34/325689034.db2.gz XPUYORJFZQJTLM-UHFFFAOYSA-N 1 2 211.286 1.912 20 0 BDADLO CN(Cc1cccnc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000554223996 325710248 /nfs/dbraw/zinc/71/02/48/325710248.db2.gz ALGHRHQXCQZSRY-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CCc1nn(C)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000092447773 325710538 /nfs/dbraw/zinc/71/05/38/325710538.db2.gz XGDFOJZWKRILDZ-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO C[C@@H]1C[C@H](C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000554556812 325727263 /nfs/dbraw/zinc/72/72/63/325727263.db2.gz CXNMNCLBMKJODL-VXGBXAGGSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000554556811 325727267 /nfs/dbraw/zinc/72/72/67/325727267.db2.gz CXNMNCLBMKJODL-RYUDHWBXSA-N 1 2 235.331 1.778 20 0 BDADLO CC[C@@H](NC(=O)c1ccsn1)c1[nH]cc[nH+]1 ZINC000556246045 325786997 /nfs/dbraw/zinc/78/69/97/325786997.db2.gz WGXYFKPDBZHONB-SSDOTTSWSA-N 1 2 236.300 1.747 20 0 BDADLO C[C@H](CC(=O)N(C)c1cccnc1)n1cc[nH+]c1 ZINC000565047106 325850575 /nfs/dbraw/zinc/85/05/75/325850575.db2.gz GCTYPXSBMHLLOW-LLVKDONJSA-N 1 2 244.298 1.892 20 0 BDADLO Cc1noc([C@@H](C)N(C)Cc2c[nH+]cn2C)n1 ZINC000565162191 325865172 /nfs/dbraw/zinc/86/51/72/325865172.db2.gz HZJCXLSYYBXLGK-MRVPVSSYSA-N 1 2 235.291 1.305 20 0 BDADLO Cc1sccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000565462067 325914064 /nfs/dbraw/zinc/91/40/64/325914064.db2.gz XCYWTVNWJGUYCC-UHFFFAOYSA-N 1 2 247.323 1.950 20 0 BDADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(F)(F)F ZINC000566466270 326051485 /nfs/dbraw/zinc/05/14/85/326051485.db2.gz MLGTVWZRDWQCRQ-SSDOTTSWSA-N 1 2 238.253 1.395 20 0 BDADLO Cc1ocnc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566364590 326037510 /nfs/dbraw/zinc/03/75/10/326037510.db2.gz VSHNKJGNNHNQJW-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC(=O)N(C)C1 ZINC000566480100 326055260 /nfs/dbraw/zinc/05/52/60/326055260.db2.gz YBYQFJMCGGMUBG-SNVBAGLBSA-N 1 2 234.303 1.126 20 0 BDADLO COc1cc(C[NH2+]Cc2nc(C)c(C)[nH]2)ccn1 ZINC000566630544 326070560 /nfs/dbraw/zinc/07/05/60/326070560.db2.gz CDSWFLNOVKQXJU-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO COc1cc(CNCc2[nH]c(C)c(C)[nH+]2)ccn1 ZINC000566630544 326070562 /nfs/dbraw/zinc/07/05/62/326070562.db2.gz CDSWFLNOVKQXJU-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@]1(C)CCCO1 ZINC000566807160 326085553 /nfs/dbraw/zinc/08/55/53/326085553.db2.gz FSYKRPKIBQJTJG-LBPRGKRZSA-N 1 2 221.304 1.496 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)O1 ZINC000567123054 326120186 /nfs/dbraw/zinc/12/01/86/326120186.db2.gz YRHIHJGNUWHONM-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000567415449 326186182 /nfs/dbraw/zinc/18/61/82/326186182.db2.gz RVICGECPWRNCMH-UHFFFAOYSA-N 1 2 207.277 1.332 20 0 BDADLO C[C@@H](NC(=O)C1(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000155572268 326201175 /nfs/dbraw/zinc/20/11/75/326201175.db2.gz FDVPRHQUBQPXSA-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1C(C)(C)C1(C)C ZINC000155608536 326203089 /nfs/dbraw/zinc/20/30/89/326203089.db2.gz VDGKYODBOVFKIR-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NC(C)(C)C)[C@H]1C ZINC000156246338 326224572 /nfs/dbraw/zinc/22/45/72/326224572.db2.gz CQFOYKFMTIQEJU-VHSXEESVSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NC(C)(C)C)[C@H]1C ZINC000156246338 326224573 /nfs/dbraw/zinc/22/45/73/326224573.db2.gz CQFOYKFMTIQEJU-VHSXEESVSA-N 1 2 228.336 1.010 20 0 BDADLO Cc1cc(N[C@@H]2CO[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000567768604 326257109 /nfs/dbraw/zinc/25/71/09/326257109.db2.gz SCIDXZQFFBHNDA-KOLCDFICSA-N 1 2 233.315 1.674 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)[C@H](C)CO1 ZINC000157618256 326287399 /nfs/dbraw/zinc/28/73/99/326287399.db2.gz JAUIESDKLYGDFQ-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)[C@H](C)CO1 ZINC000157618256 326287400 /nfs/dbraw/zinc/28/74/00/326287400.db2.gz JAUIESDKLYGDFQ-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682505630 487971903 /nfs/dbraw/zinc/97/19/03/487971903.db2.gz ZBMXXYIWGZWELD-JTQLQIEISA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568192830 326324146 /nfs/dbraw/zinc/32/41/46/326324146.db2.gz WBHZKAQYRJFRMT-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568192830 326324149 /nfs/dbraw/zinc/32/41/49/326324149.db2.gz WBHZKAQYRJFRMT-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H](C)[C@@H](CNc1nc(C)[nH+]cc1C)OC ZINC000568248957 326334745 /nfs/dbraw/zinc/33/47/45/326334745.db2.gz BZFLRQPYFIGQIE-BXKDBHETSA-N 1 2 237.347 1.988 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)on1 ZINC000568410683 326355515 /nfs/dbraw/zinc/35/55/15/326355515.db2.gz VCWNSEGMOLEPQA-WPRPVWTQSA-N 1 2 238.312 1.567 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)on1 ZINC000568410683 326355516 /nfs/dbraw/zinc/35/55/16/326355516.db2.gz VCWNSEGMOLEPQA-WPRPVWTQSA-N 1 2 238.312 1.567 20 0 BDADLO [NH3+][C@@H](C(=O)N[C@H]1CC=CCC1)c1cscn1 ZINC000568525420 326362884 /nfs/dbraw/zinc/36/28/84/326362884.db2.gz PCBLJQFAKUBCQW-WCBMZHEXSA-N 1 2 237.328 1.368 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCCCCn1cc[nH+]c1 ZINC000568686296 326372480 /nfs/dbraw/zinc/37/24/80/326372480.db2.gz QVWPWBPYVUPALP-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CC23CCCC3)c[nH+]1 ZINC000568710837 326372936 /nfs/dbraw/zinc/37/29/36/326372936.db2.gz BSUMISDQLNQOEC-JTQLQIEISA-N 1 2 219.288 1.781 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CC12CC2 ZINC000569113981 326390865 /nfs/dbraw/zinc/39/08/65/326390865.db2.gz ZINPOXGOXRALDA-VIFPVBQESA-N 1 2 234.303 1.255 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000569125038 326392062 /nfs/dbraw/zinc/39/20/62/326392062.db2.gz RWENCLUVJADHSA-ZJUUUORDSA-N 1 2 239.294 1.360 20 0 BDADLO C[C@H](CC(=O)NCCC[C@H](C)O)n1cc[nH+]c1 ZINC000569250865 326397762 /nfs/dbraw/zinc/39/77/62/326397762.db2.gz UGZVHGBDMYBJAN-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO O=C(NCCCC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682504654 487972225 /nfs/dbraw/zinc/97/22/25/487972225.db2.gz IZHZLFNHDIILLB-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO C[C@@H](CO)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669973325 487973550 /nfs/dbraw/zinc/97/35/50/487973550.db2.gz LCGWACOIMHZZEF-VIFPVBQESA-N 1 2 248.286 1.179 20 0 BDADLO CCC(C)(C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667253557 487974427 /nfs/dbraw/zinc/97/44/27/487974427.db2.gz HBFDJMVLFBWYFB-SECBINFHSA-N 1 2 238.335 1.969 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC000682533162 487980118 /nfs/dbraw/zinc/98/01/18/487980118.db2.gz WDTGZIZRMRWJEM-UWVGGRQHSA-N 1 2 246.318 1.325 20 0 BDADLO O[C@H]1C[N@H+](CC[C@H]2CCCCO2)CC(F)(F)C1 ZINC000682545140 487983533 /nfs/dbraw/zinc/98/35/33/487983533.db2.gz ASLVQRNOGNLCPH-GHMZBOCLSA-N 1 2 249.301 1.648 20 0 BDADLO O[C@H]1C[N@@H+](CC[C@H]2CCCCO2)CC(F)(F)C1 ZINC000682545140 487983536 /nfs/dbraw/zinc/98/35/36/487983536.db2.gz ASLVQRNOGNLCPH-GHMZBOCLSA-N 1 2 249.301 1.648 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)CF)c(C)c[nH+]1 ZINC000652797797 487987813 /nfs/dbraw/zinc/98/78/13/487987813.db2.gz KUEMUKYXIMHOTR-VIFPVBQESA-N 1 2 225.267 1.600 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000180549552 487997914 /nfs/dbraw/zinc/99/79/14/487997914.db2.gz GBCLCELJJRMNKU-JJMKBETCSA-N 1 2 221.304 1.689 20 0 BDADLO CC[C@H]1CCCN(c2nc[nH+]c(N)c2OC)C1 ZINC000134830167 488001141 /nfs/dbraw/zinc/00/11/41/488001141.db2.gz ICIGETUFIXKRCH-VIFPVBQESA-N 1 2 236.319 1.694 20 0 BDADLO CC[C@H]1CCCN(c2[nH+]cnc(N)c2OC)C1 ZINC000134830167 488001146 /nfs/dbraw/zinc/00/11/46/488001146.db2.gz ICIGETUFIXKRCH-VIFPVBQESA-N 1 2 236.319 1.694 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc(NCC2CC2)[nH+]cn1 ZINC000682619213 488002519 /nfs/dbraw/zinc/00/25/19/488002519.db2.gz FFOBZDRGGKEKDE-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc(NCC2CC2)nc[nH+]1 ZINC000682619213 488002526 /nfs/dbraw/zinc/00/25/26/488002526.db2.gz FFOBZDRGGKEKDE-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH+]1CCOCC1 ZINC000667461554 488013193 /nfs/dbraw/zinc/01/31/93/488013193.db2.gz FNTNNAZOFLXHTB-UHFFFAOYSA-N 1 2 235.331 1.520 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000653681928 488025244 /nfs/dbraw/zinc/02/52/44/488025244.db2.gz IHHZZJBXVHGNCP-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000653681928 488025250 /nfs/dbraw/zinc/02/52/50/488025250.db2.gz IHHZZJBXVHGNCP-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO CCc1cc(N[C@H](CO)CC(F)(F)F)nc[nH+]1 ZINC000677421030 488032310 /nfs/dbraw/zinc/03/23/10/488032310.db2.gz YESLHTWXYYMCAG-QMMMGPOBSA-N 1 2 249.236 1.764 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000669163097 488032602 /nfs/dbraw/zinc/03/26/02/488032602.db2.gz HKMLAFHITRYIMX-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H](O)C1CC1 ZINC000668637064 488034787 /nfs/dbraw/zinc/03/47/87/488034787.db2.gz KMLCSUXUSHOXIY-LLVKDONJSA-N 1 2 231.255 1.044 20 0 BDADLO O[C@H](CC1CCCC1)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000682768311 488035352 /nfs/dbraw/zinc/03/53/52/488035352.db2.gz XCUCSAMENOBIKS-CYBMUJFWSA-N 1 2 249.358 1.709 20 0 BDADLO O[C@H](CC1CCCC1)C[N@H+]1CCc2cn[nH]c2C1 ZINC000682768311 488035357 /nfs/dbraw/zinc/03/53/57/488035357.db2.gz XCUCSAMENOBIKS-CYBMUJFWSA-N 1 2 249.358 1.709 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn3c2CCC3)[C@@H](C)CO1 ZINC000667517722 488036017 /nfs/dbraw/zinc/03/60/17/488036017.db2.gz CQZDYMYGYPHSNX-QWRGUYRKSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn3c2CCC3)[C@@H](C)CO1 ZINC000667517722 488036023 /nfs/dbraw/zinc/03/60/23/488036023.db2.gz CQZDYMYGYPHSNX-QWRGUYRKSA-N 1 2 235.331 1.439 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000682778553 488039410 /nfs/dbraw/zinc/03/94/10/488039410.db2.gz KGQQTPZRZMUWNQ-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000682778553 488039413 /nfs/dbraw/zinc/03/94/13/488039413.db2.gz KGQQTPZRZMUWNQ-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667553227 488042257 /nfs/dbraw/zinc/04/22/57/488042257.db2.gz JVXLCUSVANUVAX-NXEZZACHSA-N 1 2 221.304 1.392 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667553427 488043780 /nfs/dbraw/zinc/04/37/80/488043780.db2.gz QAUYGBSRSZVAOI-VIFPVBQESA-N 1 2 221.304 1.383 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667553427 488043786 /nfs/dbraw/zinc/04/37/86/488043786.db2.gz QAUYGBSRSZVAOI-VIFPVBQESA-N 1 2 221.304 1.383 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)c1cnco1 ZINC000677514846 488062106 /nfs/dbraw/zinc/06/21/06/488062106.db2.gz GRTZZNLNPXVHQE-UHFFFAOYSA-N 1 2 246.270 1.066 20 0 BDADLO CO[C@@H](C)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000672337987 488067437 /nfs/dbraw/zinc/06/74/37/488067437.db2.gz MJLSDMIIONADKG-JTQLQIEISA-N 1 2 247.302 1.133 20 0 BDADLO CCCn1nccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000667643984 488068215 /nfs/dbraw/zinc/06/82/15/488068215.db2.gz WYKOLCXEXHZOFF-BETUJISGSA-N 1 2 235.331 1.656 20 0 BDADLO CCCn1nccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000667643984 488068217 /nfs/dbraw/zinc/06/82/17/488068217.db2.gz WYKOLCXEXHZOFF-BETUJISGSA-N 1 2 235.331 1.656 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667649030 488071434 /nfs/dbraw/zinc/07/14/34/488071434.db2.gz HIUPVZYJWYPJBR-SNVBAGLBSA-N 1 2 238.335 1.206 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667649030 488071437 /nfs/dbraw/zinc/07/14/37/488071437.db2.gz HIUPVZYJWYPJBR-SNVBAGLBSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1ccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)nc1 ZINC000666646374 488076951 /nfs/dbraw/zinc/07/69/51/488076951.db2.gz KROPQVOAMDYFPP-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1ccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)nc1 ZINC000666646374 488076954 /nfs/dbraw/zinc/07/69/54/488076954.db2.gz KROPQVOAMDYFPP-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO CC[C@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)C[C@H]1O ZINC000677651064 488088970 /nfs/dbraw/zinc/08/89/70/488088970.db2.gz WBGSMIVRYYQXEK-GXSJLCMTSA-N 1 2 246.314 1.473 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC12CCCC2 ZINC000527022711 488096100 /nfs/dbraw/zinc/09/61/00/488096100.db2.gz SXPMGTRVHCQYFW-LLVKDONJSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC12CCCC2 ZINC000527022711 488096108 /nfs/dbraw/zinc/09/61/08/488096108.db2.gz SXPMGTRVHCQYFW-LLVKDONJSA-N 1 2 233.315 1.791 20 0 BDADLO CCc1cnc(C[N@H+](C)C2(COC)CC2)o1 ZINC000677727855 488105451 /nfs/dbraw/zinc/10/54/51/488105451.db2.gz JOIOTJLTCBVPNE-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@@H+](C)C2(COC)CC2)o1 ZINC000677727855 488105455 /nfs/dbraw/zinc/10/54/55/488105455.db2.gz JOIOTJLTCBVPNE-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000677732612 488110064 /nfs/dbraw/zinc/11/00/64/488110064.db2.gz IRWIYZFJPBEOLE-SSDOTTSWSA-N 1 2 202.204 1.762 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000677732612 488110068 /nfs/dbraw/zinc/11/00/68/488110068.db2.gz IRWIYZFJPBEOLE-SSDOTTSWSA-N 1 2 202.204 1.762 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOCC23CC3)c1 ZINC000670106562 488111221 /nfs/dbraw/zinc/11/12/21/488111221.db2.gz DGGMUWIWDQOEPA-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOCC23CC3)c1 ZINC000670106562 488111227 /nfs/dbraw/zinc/11/12/27/488111227.db2.gz DGGMUWIWDQOEPA-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000084933952 488114154 /nfs/dbraw/zinc/11/41/54/488114154.db2.gz AZGVOMCUQMOOIR-MRVPVSSYSA-N 1 2 231.217 1.671 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000084933952 488114160 /nfs/dbraw/zinc/11/41/60/488114160.db2.gz AZGVOMCUQMOOIR-MRVPVSSYSA-N 1 2 231.217 1.671 20 0 BDADLO Cn1cc(C[N@@H+]2CC(C)(C)OCC2(C)C)nn1 ZINC000677762548 488118935 /nfs/dbraw/zinc/11/89/35/488118935.db2.gz NCVLFZKJRLFDNM-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1cc(C[N@H+]2CC(C)(C)OCC2(C)C)nn1 ZINC000677762548 488118940 /nfs/dbraw/zinc/11/89/40/488118940.db2.gz NCVLFZKJRLFDNM-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO COCC(C)(C)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683164201 488122052 /nfs/dbraw/zinc/12/20/52/488122052.db2.gz KTUKCQNITVWDPB-VIFPVBQESA-N 1 2 237.290 1.361 20 0 BDADLO COCC(C)(C)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683164201 488122054 /nfs/dbraw/zinc/12/20/54/488122054.db2.gz KTUKCQNITVWDPB-VIFPVBQESA-N 1 2 237.290 1.361 20 0 BDADLO COCCOC1C[NH+](Cc2ccc(O)cc2)C1 ZINC001204099993 974930013 /nfs/dbraw/zinc/93/00/13/974930013.db2.gz DMHQPGQALFELNR-UHFFFAOYSA-N 1 2 237.299 1.239 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668789493 487537789 /nfs/dbraw/zinc/53/77/89/487537789.db2.gz XHSYISNVQLBJPA-UHFFFAOYSA-N 1 2 245.326 1.654 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668789493 487537794 /nfs/dbraw/zinc/53/77/94/487537794.db2.gz XHSYISNVQLBJPA-UHFFFAOYSA-N 1 2 245.326 1.654 20 0 BDADLO OC[C@]1([NH2+]Cc2cocn2)CCc2ccccc21 ZINC000683203477 488129738 /nfs/dbraw/zinc/12/97/38/488129738.db2.gz GDBMHCQDZYJNQE-CQSZACIVSA-N 1 2 244.294 1.598 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC=CC1 ZINC000655222675 487544611 /nfs/dbraw/zinc/54/46/11/487544611.db2.gz FJUZCMAZNUBKCQ-NSHDSACASA-N 1 2 245.326 1.670 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000668791091 487544620 /nfs/dbraw/zinc/54/46/20/487544620.db2.gz WRBLEISMJNCFFN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cnccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000668791091 487544626 /nfs/dbraw/zinc/54/46/26/487544626.db2.gz WRBLEISMJNCFFN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000674285695 487545091 /nfs/dbraw/zinc/54/50/91/487545091.db2.gz CPPKDHLWXCNKEP-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000674285695 487545083 /nfs/dbraw/zinc/54/50/83/487545083.db2.gz CPPKDHLWXCNKEP-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cscn2)c1 ZINC000680256586 487553428 /nfs/dbraw/zinc/55/34/28/487553428.db2.gz JHPKILCOPNSNIF-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1csnn1 ZINC000668240939 487532801 /nfs/dbraw/zinc/53/28/01/487532801.db2.gz XBTCSHYRRWBUDF-NMLBEHRDSA-N 1 2 239.344 1.756 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC1(C)C)CC2 ZINC000679890281 487481933 /nfs/dbraw/zinc/48/19/33/487481933.db2.gz JWMVZXMBXAJGHZ-SNVBAGLBSA-N 1 2 248.330 1.515 20 0 BDADLO Cc1c(C(=O)N2CC(n3cc[nH+]c3)C2)ccn1C ZINC000684969570 487477926 /nfs/dbraw/zinc/47/79/26/487477926.db2.gz KNPFCYCFQIOITG-UHFFFAOYSA-N 1 2 244.298 1.227 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668225828 487485501 /nfs/dbraw/zinc/48/55/01/487485501.db2.gz XIIXFNUAXHKPOD-SSDOTTSWSA-N 1 2 243.257 1.238 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668225828 487485506 /nfs/dbraw/zinc/48/55/06/487485506.db2.gz XIIXFNUAXHKPOD-SSDOTTSWSA-N 1 2 243.257 1.238 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC(C)(F)F ZINC000673944233 487488140 /nfs/dbraw/zinc/48/81/40/487488140.db2.gz GCSMVFMKZRNYLT-UHFFFAOYSA-N 1 2 231.246 1.770 20 0 BDADLO CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000668230432 487494066 /nfs/dbraw/zinc/49/40/66/487494066.db2.gz RMWDWGGTOLSYBY-VXGBXAGGSA-N 1 2 247.342 1.925 20 0 BDADLO Cn1cc(C[NH2+]Cc2cnc(C3CC3)s2)nn1 ZINC000679932195 487495961 /nfs/dbraw/zinc/49/59/61/487495961.db2.gz JORHPHBHZZYATQ-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO Cc1cccc(NC(=O)CCn2cc[nH+]c2)c1O ZINC000674016174 487502502 /nfs/dbraw/zinc/50/25/02/487502502.db2.gz AUJYLSDSGDHDOP-UHFFFAOYSA-N 1 2 245.282 1.926 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc[nH]1 ZINC000669297068 487502804 /nfs/dbraw/zinc/50/28/04/487502804.db2.gz RKFCFEUHBKPCOG-GHMZBOCLSA-N 1 2 244.298 1.168 20 0 BDADLO CCNC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674047589 487503969 /nfs/dbraw/zinc/50/39/69/487503969.db2.gz NGCLXHODPJQSEI-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCNC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674047589 487503974 /nfs/dbraw/zinc/50/39/74/487503974.db2.gz NGCLXHODPJQSEI-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CCc1cccnc1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000679994731 487511022 /nfs/dbraw/zinc/51/10/22/487511022.db2.gz ZYMZCZLACKUAPJ-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO COCC(C)(C)C[N@H+](C)Cc1nnc(C)s1 ZINC000668774129 487516880 /nfs/dbraw/zinc/51/68/80/487516880.db2.gz OPISOXRDYWHGQM-UHFFFAOYSA-N 1 2 243.376 1.951 20 0 BDADLO COCC(C)(C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000668774129 487516883 /nfs/dbraw/zinc/51/68/83/487516883.db2.gz OPISOXRDYWHGQM-UHFFFAOYSA-N 1 2 243.376 1.951 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C[C@@H](C)C(C)(C)C)C1 ZINC000669570697 487516907 /nfs/dbraw/zinc/51/69/07/487516907.db2.gz FPPQEWLQQIWLPM-SNVBAGLBSA-N 1 2 247.404 1.788 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1=CCC1 ZINC000679474380 487521238 /nfs/dbraw/zinc/52/12/38/487521238.db2.gz HSRHEUBODYZGEM-UHFFFAOYSA-N 1 2 213.240 1.993 20 0 BDADLO Cc1nc(C[NH+]2CCC(C)(O)CC2)co1 ZINC000381820067 487524169 /nfs/dbraw/zinc/52/41/69/487524169.db2.gz ILYDLZXJELRSNX-UHFFFAOYSA-N 1 2 210.277 1.330 20 0 BDADLO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000237932165 487535246 /nfs/dbraw/zinc/53/52/46/487535246.db2.gz PSYCNJABKMSUSA-DTWKUNHWSA-N 1 2 245.286 1.024 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1=CCCCC1 ZINC000296901862 487570683 /nfs/dbraw/zinc/57/06/83/487570683.db2.gz BWVUEMMJTOGMGM-UHFFFAOYSA-N 1 2 248.330 1.720 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C2CCC1CC2 ZINC000665851475 487632892 /nfs/dbraw/zinc/63/28/92/487632892.db2.gz HRQYJCMUJFRMOC-KIDURHIOSA-N 1 2 245.326 1.677 20 0 BDADLO CCc1cc(C)nc(N(C)Cc2[nH+]ccn2C)n1 ZINC000680951271 487676833 /nfs/dbraw/zinc/67/68/33/487676833.db2.gz VBWYZONJXWJGJC-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000681550242 487812453 /nfs/dbraw/zinc/81/24/53/487812453.db2.gz MQHIABKVJPWGLL-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO Fc1cccc2c1C[N@H+](Cc1cn[nH]c1)CCO2 ZINC000670271653 487892549 /nfs/dbraw/zinc/89/25/49/487892549.db2.gz CLGWOIXIUCSVEA-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Fc1cccc2c1C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC000670271653 487892551 /nfs/dbraw/zinc/89/25/51/487892551.db2.gz CLGWOIXIUCSVEA-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO CC(C)c1ncc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000669620874 487939713 /nfs/dbraw/zinc/93/97/13/487939713.db2.gz OOCSASCOUIWHFP-UHFFFAOYSA-N 1 2 245.330 1.955 20 0 BDADLO CC(C)c1ncc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000669620874 487939717 /nfs/dbraw/zinc/93/97/17/487939717.db2.gz OOCSASCOUIWHFP-UHFFFAOYSA-N 1 2 245.330 1.955 20 0 BDADLO CC(C)N1CC[N@H+](Cc2ccc(O)cc2)CC1=O ZINC000682407734 487950173 /nfs/dbraw/zinc/95/01/73/487950173.db2.gz UGFFOVRXDFKWPQ-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2ccc(O)cc2)CC1=O ZINC000682407734 487950177 /nfs/dbraw/zinc/95/01/77/487950177.db2.gz UGFFOVRXDFKWPQ-UHFFFAOYSA-N 1 2 248.326 1.445 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682473491 487968874 /nfs/dbraw/zinc/96/88/74/487968874.db2.gz FAYUVYDLRXORKG-JTQLQIEISA-N 1 2 235.331 1.608 20 0 BDADLO C[C@@H]1SCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655160294 488005901 /nfs/dbraw/zinc/00/59/01/488005901.db2.gz JCIJRTRETXLIMG-VHSXEESVSA-N 1 2 242.388 1.338 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC(C)(F)F ZINC000683252159 488138453 /nfs/dbraw/zinc/13/84/53/488138453.db2.gz FZQCECODDIIDJL-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ccoc2)nn1 ZINC000404417279 488157793 /nfs/dbraw/zinc/15/77/93/488157793.db2.gz PAUIIGJQWPXPFN-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc(C[NH2+]Cc2cccc(F)c2)nn1 ZINC000404453133 488161984 /nfs/dbraw/zinc/16/19/84/488161984.db2.gz NMRIWLKHBYWJSP-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nnn1C1CCC1 ZINC000667946670 488165091 /nfs/dbraw/zinc/16/50/91/488165091.db2.gz SPVWBYUSVXFHDZ-UHFFFAOYSA-N 1 2 218.304 1.765 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nnn1C1CCC1 ZINC000667946670 488165096 /nfs/dbraw/zinc/16/50/96/488165096.db2.gz SPVWBYUSVXFHDZ-UHFFFAOYSA-N 1 2 218.304 1.765 20 0 BDADLO Cc1cccn2c(NC(=O)N[C@H](C)CO)c[nH+]c12 ZINC000667947781 488166492 /nfs/dbraw/zinc/16/64/92/488166492.db2.gz ASOLGZSNUCYVOM-SECBINFHSA-N 1 2 248.286 1.145 20 0 BDADLO CCN(C(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC000681553890 488173049 /nfs/dbraw/zinc/17/30/49/488173049.db2.gz KAYRGILUBWHTTQ-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO CCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000160894869 488175438 /nfs/dbraw/zinc/17/54/38/488175438.db2.gz UJJJAMMWUWXWCH-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000160894869 488175440 /nfs/dbraw/zinc/17/54/40/488175440.db2.gz UJJJAMMWUWXWCH-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC000668734406 488179277 /nfs/dbraw/zinc/17/92/77/488179277.db2.gz FKVQWUVZNMBHAS-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC000668734406 488179280 /nfs/dbraw/zinc/17/92/80/488179280.db2.gz FKVQWUVZNMBHAS-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC23CCOCC3)s1 ZINC000683526757 488187197 /nfs/dbraw/zinc/18/71/97/488187197.db2.gz DPJGZWCSQFQFIU-UHFFFAOYSA-N 1 2 239.344 1.601 20 0 BDADLO Cc1nnc(C[N@H+]2CCC23CCOCC3)s1 ZINC000683526757 488187201 /nfs/dbraw/zinc/18/72/01/488187201.db2.gz DPJGZWCSQFQFIU-UHFFFAOYSA-N 1 2 239.344 1.601 20 0 BDADLO Cn1nccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655688139 488189376 /nfs/dbraw/zinc/18/93/76/488189376.db2.gz MTBZCWBKXOWQLJ-NSHDSACASA-N 1 2 231.303 1.241 20 0 BDADLO CCc1cc(N(C)Cc2[nH+]ccn2C)ncn1 ZINC000678063105 488190287 /nfs/dbraw/zinc/19/02/87/488190287.db2.gz LVFUFHQMJGTCFE-UHFFFAOYSA-N 1 2 231.303 1.409 20 0 BDADLO C=Cn1cc(CNc2ccc(OC)c[nH+]2)cn1 ZINC000683706026 488210928 /nfs/dbraw/zinc/21/09/28/488210928.db2.gz MFFXLFDERQCYNE-UHFFFAOYSA-N 1 2 230.271 1.999 20 0 BDADLO C[C@H]([NH2+]Cc1cncs1)c1csnn1 ZINC000398226669 488215697 /nfs/dbraw/zinc/21/56/97/488215697.db2.gz GWTJXVMEFRLXFV-LURJTMIESA-N 1 2 226.330 1.845 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCN(C3CC3)C2)o1 ZINC000231639587 488218434 /nfs/dbraw/zinc/21/84/34/488218434.db2.gz RBLWHIROFSDZHH-SNVBAGLBSA-N 1 2 221.304 1.309 20 0 BDADLO CC(C)[N@H+](Cc1cnn2c1CCC2)C1COC1 ZINC000668199791 488222636 /nfs/dbraw/zinc/22/26/36/488222636.db2.gz CJXXLPPWDCTSDA-UHFFFAOYSA-N 1 2 235.331 1.439 20 0 BDADLO CC(C)[N@@H+](Cc1cnn2c1CCC2)C1COC1 ZINC000668199791 488222640 /nfs/dbraw/zinc/22/26/40/488222640.db2.gz CJXXLPPWDCTSDA-UHFFFAOYSA-N 1 2 235.331 1.439 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000678276074 488232272 /nfs/dbraw/zinc/23/22/72/488232272.db2.gz UYDSWFRKGCUJSB-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000678276074 488232273 /nfs/dbraw/zinc/23/22/73/488232273.db2.gz UYDSWFRKGCUJSB-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1oc(C)nc1C ZINC000683897115 488233710 /nfs/dbraw/zinc/23/37/10/488233710.db2.gz NAYKUIJBPDMZNX-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1oc(C)nc1C ZINC000683897115 488233712 /nfs/dbraw/zinc/23/37/12/488233712.db2.gz NAYKUIJBPDMZNX-UHFFFAOYSA-N 1 2 239.319 1.249 20 0 BDADLO Cn1c[nH+]c(CN2CCOC(C)(C)C2)c1 ZINC000683897015 488233729 /nfs/dbraw/zinc/23/37/29/488233729.db2.gz IWHXWOFDHNKOGA-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000683897015 488233732 /nfs/dbraw/zinc/23/37/32/488233732.db2.gz IWHXWOFDHNKOGA-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000683897015 488233733 /nfs/dbraw/zinc/23/37/33/488233733.db2.gz IWHXWOFDHNKOGA-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672144743 488240880 /nfs/dbraw/zinc/24/08/80/488240880.db2.gz GRXKPDJAJVYBOQ-LLVKDONJSA-N 1 2 249.314 1.073 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150227 488241934 /nfs/dbraw/zinc/24/19/34/488241934.db2.gz JCLMBAHLSZSUOV-GHMZBOCLSA-N 1 2 235.331 1.606 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672157097 488242621 /nfs/dbraw/zinc/24/26/21/488242621.db2.gz ZAOGCWRFYIQYJK-QJPTWQEYSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(Cc1ccco1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672156453 488242628 /nfs/dbraw/zinc/24/26/28/488242628.db2.gz MBFNTGYFCOFNIH-JTQLQIEISA-N 1 2 245.282 1.150 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)n[nH]1 ZINC000683918181 488244325 /nfs/dbraw/zinc/24/43/25/488244325.db2.gz HUJCQLPSPBOORA-UHFFFAOYSA-N 1 2 233.275 1.358 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)n[nH]1 ZINC000683918181 488244327 /nfs/dbraw/zinc/24/43/27/488244327.db2.gz HUJCQLPSPBOORA-UHFFFAOYSA-N 1 2 233.275 1.358 20 0 BDADLO Cc1nsc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000678401650 488251491 /nfs/dbraw/zinc/25/14/91/488251491.db2.gz PSYVPYBJPPHUCO-UHFFFAOYSA-N 1 2 209.278 1.206 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1ncnn1C(C)C ZINC000683995449 488253932 /nfs/dbraw/zinc/25/39/32/488253932.db2.gz QGRUKGICPBPMKS-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1ncnn1C(C)C ZINC000683995449 488253935 /nfs/dbraw/zinc/25/39/35/488253935.db2.gz QGRUKGICPBPMKS-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000684020919 488255350 /nfs/dbraw/zinc/25/53/50/488255350.db2.gz NYYQBYKZXWDUJK-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684020919 488255351 /nfs/dbraw/zinc/25/53/51/488255351.db2.gz NYYQBYKZXWDUJK-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccn1 ZINC000684041875 488257521 /nfs/dbraw/zinc/25/75/21/488257521.db2.gz DPMBPZITIWYFHN-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO CCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000672667204 488263194 /nfs/dbraw/zinc/26/31/94/488263194.db2.gz WBPOLUSFXDGKRF-VIFPVBQESA-N 1 2 209.293 1.647 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H]3C[C@H]32)cc[nH+]1 ZINC000672712753 488264670 /nfs/dbraw/zinc/26/46/70/488264670.db2.gz QZKZSUYFGBYLBJ-CMPLNLGQSA-N 1 2 231.299 1.828 20 0 BDADLO CCN(Cc1ccoc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000672839632 488267733 /nfs/dbraw/zinc/26/77/33/488267733.db2.gz YGJDSAOPKLBKSO-UHFFFAOYSA-N 1 2 247.298 1.984 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000673291835 488281179 /nfs/dbraw/zinc/28/11/79/488281179.db2.gz YVPPDGIHBUAAIA-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)(C)C(=O)NCCNc1cc[nH+]cc1F ZINC000678787698 488283378 /nfs/dbraw/zinc/28/33/78/488283378.db2.gz WRMJDTWTDBTJEX-UHFFFAOYSA-N 1 2 239.294 1.217 20 0 BDADLO C[C@@H](CNc1cc[nH+]cc1F)Cn1cccn1 ZINC000678787965 488283419 /nfs/dbraw/zinc/28/34/19/488283419.db2.gz BCTSHNCRACNBSB-JTQLQIEISA-N 1 2 234.278 1.587 20 0 BDADLO CN(C)c1ccccc1C[NH2+]Cc1ncnn1C ZINC000678940751 488296849 /nfs/dbraw/zinc/29/68/49/488296849.db2.gz QOCQFVMOLQYSSZ-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000673604355 488297113 /nfs/dbraw/zinc/29/71/13/488297113.db2.gz SNRLCOOLXZMGKL-LLVKDONJSA-N 1 2 231.303 1.310 20 0 BDADLO Cn1cnc(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000673606508 488297594 /nfs/dbraw/zinc/29/75/94/488297594.db2.gz GQTIVWOHOSNQSM-NSHDSACASA-N 1 2 235.287 1.226 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccco1 ZINC000673666406 488301521 /nfs/dbraw/zinc/30/15/21/488301521.db2.gz OGTVNPWYDWKANQ-SECBINFHSA-N 1 2 233.271 1.465 20 0 BDADLO Cc1noc(C)c1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000673671614 488302159 /nfs/dbraw/zinc/30/21/59/488302159.db2.gz KXGMLWCOZOHTMD-QMMMGPOBSA-N 1 2 248.286 1.365 20 0 BDADLO c1c[nH+]c(COCc2ncc(C3CC3)o2)[nH]1 ZINC000679008647 488302725 /nfs/dbraw/zinc/30/27/25/488302725.db2.gz DMWZTJXXSGAWOK-UHFFFAOYSA-N 1 2 219.244 1.992 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH+]cn2C)no1 ZINC000684447832 488314391 /nfs/dbraw/zinc/31/43/91/488314391.db2.gz VPDYTWYFVHJDKS-UHFFFAOYSA-N 1 2 248.286 1.542 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679218301 488317964 /nfs/dbraw/zinc/31/79/64/488317964.db2.gz CYENMTIJXUDASV-SDDRHHMPSA-N 1 2 244.354 1.971 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679218301 488317966 /nfs/dbraw/zinc/31/79/66/488317966.db2.gz CYENMTIJXUDASV-SDDRHHMPSA-N 1 2 244.354 1.971 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000679219266 488318769 /nfs/dbraw/zinc/31/87/69/488318769.db2.gz FUMGIFOIBOPANE-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000679219266 488318772 /nfs/dbraw/zinc/31/87/72/488318772.db2.gz FUMGIFOIBOPANE-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679222701 488320334 /nfs/dbraw/zinc/32/03/34/488320334.db2.gz JSYCXVAJTWQWON-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679222701 488320336 /nfs/dbraw/zinc/32/03/36/488320336.db2.gz JSYCXVAJTWQWON-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1CC(=O)C1 ZINC000679269728 488327595 /nfs/dbraw/zinc/32/75/95/488327595.db2.gz JQXIZIDTIIFZEF-UHFFFAOYSA-N 1 2 229.239 1.252 20 0 BDADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc2n1CCOC2 ZINC000684770926 488341262 /nfs/dbraw/zinc/34/12/62/488341262.db2.gz RXSLHSPQZQCUDZ-WDEREUQCSA-N 1 2 246.314 1.101 20 0 BDADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc2n1CCOC2 ZINC000684770926 488341265 /nfs/dbraw/zinc/34/12/65/488341265.db2.gz RXSLHSPQZQCUDZ-WDEREUQCSA-N 1 2 246.314 1.101 20 0 BDADLO CC1=CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000684800737 488343478 /nfs/dbraw/zinc/34/34/78/488343478.db2.gz GMKNHWCFJLDSHK-UHFFFAOYSA-N 1 2 233.315 1.842 20 0 BDADLO CC[N@H+](Cc1cn(C)cn1)Cc1ccccn1 ZINC000684835755 488347784 /nfs/dbraw/zinc/34/77/84/488347784.db2.gz HSLSXKZROKOJDU-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cn(C)cn1)Cc1ccccn1 ZINC000684835755 488347786 /nfs/dbraw/zinc/34/77/86/488347786.db2.gz HSLSXKZROKOJDU-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO COc1cnccc1CNc1cc(C)[nH+]cn1 ZINC000684838664 488348419 /nfs/dbraw/zinc/34/84/19/488348419.db2.gz RJWIWWPRKVXHOL-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CCC(C)(C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000684916165 488352630 /nfs/dbraw/zinc/35/26/30/488352630.db2.gz NOTVIASZDFFJDG-UHFFFAOYSA-N 1 2 238.335 1.750 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](OC(F)F)C2)o1 ZINC000679679303 488363519 /nfs/dbraw/zinc/36/35/19/488363519.db2.gz AKTDGHVSTGWBCQ-QMMMGPOBSA-N 1 2 247.245 1.582 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](OC(F)F)C2)o1 ZINC000679679303 488363520 /nfs/dbraw/zinc/36/35/20/488363520.db2.gz AKTDGHVSTGWBCQ-QMMMGPOBSA-N 1 2 247.245 1.582 20 0 BDADLO CCc1noc(C[N@H+](C)C[C@H](C)OC)n1 ZINC000679851498 488369014 /nfs/dbraw/zinc/36/90/14/488369014.db2.gz RFUXXLIWVXPHMS-QMMMGPOBSA-N 1 2 213.281 1.099 20 0 BDADLO CCc1noc(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000679851498 488369015 /nfs/dbraw/zinc/36/90/15/488369015.db2.gz RFUXXLIWVXPHMS-QMMMGPOBSA-N 1 2 213.281 1.099 20 0 BDADLO Cn1nncc1C[N@H+](C)Cc1ccsc1 ZINC000120452109 490061537 /nfs/dbraw/zinc/06/15/37/490061537.db2.gz NRHRDPKHBQCAFG-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1nncc1C[N@@H+](C)Cc1ccsc1 ZINC000120452109 490061539 /nfs/dbraw/zinc/06/15/39/490061539.db2.gz NRHRDPKHBQCAFG-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)no1 ZINC000661699475 490178164 /nfs/dbraw/zinc/17/81/64/490178164.db2.gz IBEQEWVOQCQOCS-JOYOIKCWSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)no1 ZINC000661699475 490178166 /nfs/dbraw/zinc/17/81/66/490178166.db2.gz IBEQEWVOQCQOCS-JOYOIKCWSA-N 1 2 237.303 1.100 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc(=O)c(O)co2)C[C@@H]1F ZINC000679222812 490258755 /nfs/dbraw/zinc/25/87/55/490258755.db2.gz JLNNXLQQSOFBPW-SCZZXKLOSA-N 1 2 241.262 1.525 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)C[C@@H]1F ZINC000679222812 490258763 /nfs/dbraw/zinc/25/87/63/490258763.db2.gz JLNNXLQQSOFBPW-SCZZXKLOSA-N 1 2 241.262 1.525 20 0 BDADLO COCc1nnc(C[NH2+]C2CC3(CCC3)C2)[nH]1 ZINC000668510470 490345825 /nfs/dbraw/zinc/34/58/25/490345825.db2.gz SVCMLLVMTFLOPM-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO COc1cc(C)nc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000124353092 490354838 /nfs/dbraw/zinc/35/48/38/490354838.db2.gz CNSULSHLMMZBIB-SNVBAGLBSA-N 1 2 247.302 1.491 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@H]2C2CCCC2)[nH]1 ZINC000092617837 490359441 /nfs/dbraw/zinc/35/94/41/490359441.db2.gz GADLLBLHIWXZRP-JTQLQIEISA-N 1 2 236.319 1.253 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@H]2C2CCCC2)[nH]1 ZINC000092617837 490359444 /nfs/dbraw/zinc/35/94/44/490359444.db2.gz GADLLBLHIWXZRP-JTQLQIEISA-N 1 2 236.319 1.253 20 0 BDADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CCC1 ZINC000130382564 490384448 /nfs/dbraw/zinc/38/44/48/490384448.db2.gz FNKUQGMROKFFGB-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000125236354 490421574 /nfs/dbraw/zinc/42/15/74/490421574.db2.gz AOAVQQPZIJAAJQ-MRVPVSSYSA-N 1 2 203.249 1.681 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)no1 ZINC000305174235 490447098 /nfs/dbraw/zinc/44/70/98/490447098.db2.gz KVLKFTMHCXTLLB-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)no1 ZINC000305174235 490447104 /nfs/dbraw/zinc/44/71/04/490447104.db2.gz KVLKFTMHCXTLLB-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000130838816 490456655 /nfs/dbraw/zinc/45/66/55/490456655.db2.gz XKGHGIKJIYFAAB-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000130838816 490456661 /nfs/dbraw/zinc/45/66/61/490456661.db2.gz XKGHGIKJIYFAAB-LLVKDONJSA-N 1 2 235.331 1.368 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccnnc1 ZINC000131579375 490646738 /nfs/dbraw/zinc/64/67/38/490646738.db2.gz QXBJOFBHAHPWPL-UHFFFAOYSA-N 1 2 214.228 1.432 20 0 BDADLO CCc1cc(N[C@H](CO)C(C)C)nc[nH+]1 ZINC000080789854 490653006 /nfs/dbraw/zinc/65/30/06/490653006.db2.gz HQFZIDVBUBKOCF-SNVBAGLBSA-N 1 2 209.293 1.468 20 0 BDADLO FC(F)(F)Cn1cc[nH+]c1CNc1c[nH]cn1 ZINC000520467265 491059057 /nfs/dbraw/zinc/05/90/57/491059057.db2.gz JJKFPPSBPKBTEY-UHFFFAOYSA-N 1 2 245.208 1.781 20 0 BDADLO c1[nH+]c2n(c1CN1CC3(C1)CCCOC3)CCC2 ZINC000668232563 491084697 /nfs/dbraw/zinc/08/46/97/491084697.db2.gz WWQXJOSVRVWLLI-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000088052506 491094124 /nfs/dbraw/zinc/09/41/24/491094124.db2.gz SKAAADWACIKQBJ-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO c1nn[nH]c1CC[NH+]1CCC(C2CC2)CC1 ZINC000660610178 491101712 /nfs/dbraw/zinc/10/17/12/491101712.db2.gz JAHZPNOZJXADFZ-UHFFFAOYSA-N 1 2 220.320 1.469 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000667475237 491107227 /nfs/dbraw/zinc/10/72/27/491107227.db2.gz JCOXGACYYIGNFZ-RYUDHWBXSA-N 1 2 249.358 1.829 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000076830143 491125609 /nfs/dbraw/zinc/12/56/09/491125609.db2.gz TYZUMFYELUDZDT-JTQLQIEISA-N 1 2 233.315 1.673 20 0 BDADLO CCc1cc(NCCC[C@@H](C)CO)nc[nH+]1 ZINC000230146528 491127830 /nfs/dbraw/zinc/12/78/30/491127830.db2.gz DOKFVHVNUVUORI-SNVBAGLBSA-N 1 2 223.320 1.860 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)C[C@@H](O)C1CC1 ZINC000079788440 491129490 /nfs/dbraw/zinc/12/94/90/491129490.db2.gz DMYFEQGAOJXVPN-SNVBAGLBSA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)C[C@@H](O)C1CC1 ZINC000079788440 491129491 /nfs/dbraw/zinc/12/94/91/491129491.db2.gz DMYFEQGAOJXVPN-SNVBAGLBSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1noc(C)c1CN(C)Cc1c[nH+]c[nH]1 ZINC000091812649 491131616 /nfs/dbraw/zinc/13/16/16/491131616.db2.gz KHUWOGWJIDUBIK-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO CC[C@@H](NC(=O)c1ccn(C)n1)c1[nH]cc[nH+]1 ZINC000218079995 491131920 /nfs/dbraw/zinc/13/19/20/491131920.db2.gz UHGIASFZGIYBMW-MRVPVSSYSA-N 1 2 233.275 1.024 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@@H](C)OC ZINC000308963004 491141370 /nfs/dbraw/zinc/14/13/70/491141370.db2.gz SMJSLPAWHODACZ-RKDXNWHRSA-N 1 2 210.277 1.926 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2CCC2)[nH+]1 ZINC000309593051 491152769 /nfs/dbraw/zinc/15/27/69/491152769.db2.gz VIIXWANHKSPGCP-UHFFFAOYSA-N 1 2 221.308 1.458 20 0 BDADLO Cc1nc(NCC2CCC2)nc(N(C)C)[nH+]1 ZINC000309593051 491152770 /nfs/dbraw/zinc/15/27/70/491152770.db2.gz VIIXWANHKSPGCP-UHFFFAOYSA-N 1 2 221.308 1.458 20 0 BDADLO Cc1ccc(CN(C)C(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000492772059 533841499 /nfs/dbraw/zinc/84/14/99/533841499.db2.gz SLHYUUDSVPMWHL-GQCTYLIASA-N 1 2 245.282 1.983 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492814575 533906021 /nfs/dbraw/zinc/90/60/21/533906021.db2.gz URLXSMYMYXZGFP-JAFKPYBISA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000492770856 533914261 /nfs/dbraw/zinc/91/42/61/533914261.db2.gz REPAGHOPYVCHSH-CJOPTALJSA-N 1 2 233.315 1.927 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547383 535545770 /nfs/dbraw/zinc/54/57/70/535545770.db2.gz GHSIOBOEPHZSMN-GHMZBOCLSA-N 1 2 235.331 1.702 20 0 BDADLO C[C@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCOC1(C)C ZINC000492810507 534117027 /nfs/dbraw/zinc/11/70/27/534117027.db2.gz IGFWOBSSFJLOHY-UMCURTJPSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493974098 534144046 /nfs/dbraw/zinc/14/40/46/534144046.db2.gz GZQQNESMMXLNGN-MNOVXSKESA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493974098 534144059 /nfs/dbraw/zinc/14/40/59/534144059.db2.gz GZQQNESMMXLNGN-MNOVXSKESA-N 1 2 247.298 1.279 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225428514 535833411 /nfs/dbraw/zinc/83/34/11/535833411.db2.gz MTASRXFTZUHNMW-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225428514 535833420 /nfs/dbraw/zinc/83/34/20/535833420.db2.gz MTASRXFTZUHNMW-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900257 534261625 /nfs/dbraw/zinc/26/16/25/534261625.db2.gz UTOCNCIMYIZFGI-AUYFGZFJSA-N 1 2 205.261 1.338 20 0 BDADLO C[C@@]1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCCOC1 ZINC000493535994 534272966 /nfs/dbraw/zinc/27/29/66/534272966.db2.gz YXVDJRHXPZXPQN-AAOUONPWSA-N 1 2 235.287 1.108 20 0 BDADLO CCc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(C)[nH+]1 ZINC000285800333 536126912 /nfs/dbraw/zinc/12/69/12/536126912.db2.gz YDPMSTMGDWYHJD-GHMZBOCLSA-N 1 2 235.331 1.961 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000078892316 517719916 /nfs/dbraw/zinc/71/99/16/517719916.db2.gz QDLHYEZBRBISPP-QWRGUYRKSA-N 1 2 220.272 1.754 20 0 BDADLO CC(C)(C(=O)NCCCn1cc[nH+]c1)C(F)F ZINC000349278505 534332366 /nfs/dbraw/zinc/33/23/66/534332366.db2.gz FRDLLBLVGCXHAL-UHFFFAOYSA-N 1 2 245.273 1.681 20 0 BDADLO Cc1ccoc1CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492804706 534442165 /nfs/dbraw/zinc/44/21/65/534442165.db2.gz XOJMKXSEARJRIR-ONEGZZNKSA-N 1 2 245.282 1.983 20 0 BDADLO Cn1ccc(/C=C\C(=O)NCc2[nH+]ccn2C)c1 ZINC000493541586 534765672 /nfs/dbraw/zinc/76/56/72/534765672.db2.gz CWSORFMYBHQWTJ-ARJAWSKDSA-N 1 2 244.298 1.088 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/C1CCOCC1 ZINC000492938642 534788012 /nfs/dbraw/zinc/78/80/12/534788012.db2.gz ARNBNVSBKBUZED-NSCUHMNNSA-N 1 2 249.314 1.019 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000493662566 534786371 /nfs/dbraw/zinc/78/63/71/534786371.db2.gz PQIRCEQCAHQXMI-BXXZLRJFSA-N 1 2 247.298 1.203 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]21 ZINC000493502939 534787521 /nfs/dbraw/zinc/78/75/21/534787521.db2.gz YZGSOXYSJQPJCC-AWAZDUCLSA-N 1 2 217.272 1.434 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CF ZINC000493810639 534800521 /nfs/dbraw/zinc/80/05/21/534800521.db2.gz AOWAKVVHEUNBCW-UMBAGQNISA-N 1 2 223.251 1.383 20 0 BDADLO CCc1cc(N(C)[C@H]2CCOC2)nc(CC)[nH+]1 ZINC000892406326 582878200 /nfs/dbraw/zinc/87/82/00/582878200.db2.gz ZOSMISIZCUNDJS-NSHDSACASA-N 1 2 235.331 1.827 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC2(C1)CCCC2 ZINC000492898410 534800685 /nfs/dbraw/zinc/80/06/85/534800685.db2.gz KWZUOUICQGAKID-ARJAWSKDSA-N 1 2 231.299 1.826 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC/C=C\Cl ZINC000493672530 534802272 /nfs/dbraw/zinc/80/22/72/534802272.db2.gz HNDHOZCVXYTXLU-QEFWFIIXSA-N 1 2 227.651 1.223 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCc1ccccc1 ZINC000492867011 534802466 /nfs/dbraw/zinc/80/24/66/534802466.db2.gz WWHPIAOJKIEJNL-SREVYHEPSA-N 1 2 243.266 1.671 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000492762960 534802480 /nfs/dbraw/zinc/80/24/80/534802480.db2.gz IKLAMTPDTCEBFK-CLSKXNONSA-N 1 2 217.272 1.338 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccnc1F ZINC000493392960 534802663 /nfs/dbraw/zinc/80/26/63/534802663.db2.gz REDGEDYATDXFFH-ARJAWSKDSA-N 1 2 246.245 1.273 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)C1CCCC1 ZINC000493368033 534802874 /nfs/dbraw/zinc/80/28/74/534802874.db2.gz LGOFMOHBOOKLFL-FJOGCWAESA-N 1 2 249.314 1.090 20 0 BDADLO CCCC[C@@H](COC)[NH2+][C@H](C)C(=O)OC ZINC000193107145 534898918 /nfs/dbraw/zinc/89/89/18/534898918.db2.gz YYUNFIJGWYTRSF-ZJUUUORDSA-N 1 2 217.309 1.343 20 0 BDADLO CC[C@@H](C)[C@](C)(O)CNc1cc(NC)nc[nH+]1 ZINC000892501466 582898918 /nfs/dbraw/zinc/89/89/18/582898918.db2.gz JCRSWYKUKKBCHA-BXKDBHETSA-N 1 2 238.335 1.727 20 0 BDADLO CC(C)(NC(=O)/C=C\[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000493051476 527263187 /nfs/dbraw/zinc/26/31/87/527263187.db2.gz OUXZDXMOTGXJKZ-UMBAGQNISA-N 1 2 249.314 1.354 20 0 BDADLO CC(C)(O)C(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493629746 527309812 /nfs/dbraw/zinc/30/98/12/527309812.db2.gz MAAVDHNRYCYZPN-AATRIKPKSA-N 1 2 237.303 1.089 20 0 BDADLO CC=CC=CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000493833992 527608702 /nfs/dbraw/zinc/60/87/02/527608702.db2.gz FGPGOZHESGBJKQ-RXMSJDEBSA-N 1 2 231.299 1.516 20 0 BDADLO CC=CC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000493833992 527608705 /nfs/dbraw/zinc/60/87/05/527608705.db2.gz FGPGOZHESGBJKQ-RXMSJDEBSA-N 1 2 231.299 1.516 20 0 BDADLO CCC1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488394692 527871538 /nfs/dbraw/zinc/87/15/38/527871538.db2.gz IGVDBLZJBPKXGI-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CCC1CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000488394692 527871546 /nfs/dbraw/zinc/87/15/46/527871546.db2.gz IGVDBLZJBPKXGI-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493198293 527885577 /nfs/dbraw/zinc/88/55/77/527885577.db2.gz ZFVSSBPDUAWZCJ-ITKZLYELSA-N 1 2 237.303 1.090 20 0 BDADLO CC1(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493195235 527921737 /nfs/dbraw/zinc/92/17/37/527921737.db2.gz HZNBJBHFAGBKRX-NSCUHMNNSA-N 1 2 219.288 1.729 20 0 BDADLO CCCN(CC(N)=O)c1cc[nH+]c(C2CC2)n1 ZINC000488749024 527947075 /nfs/dbraw/zinc/94/70/75/527947075.db2.gz CSHYPMYMZWBIHN-UHFFFAOYSA-N 1 2 234.303 1.056 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308363895 527964478 /nfs/dbraw/zinc/96/44/78/527964478.db2.gz JJOFBBRDXZCLQR-HBNTYKKESA-N 1 2 241.331 1.485 20 0 BDADLO CCNC(=O)C1(CNc2cccc[nH+]2)CCC1 ZINC000487133432 528045040 /nfs/dbraw/zinc/04/50/40/528045040.db2.gz GGYFNSAYBYRBOJ-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO COC1(C(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000336198039 536527280 /nfs/dbraw/zinc/52/72/80/536527280.db2.gz HSQJEVKASLDBGJ-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO CCC[C@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493756656 528477723 /nfs/dbraw/zinc/47/77/23/528477723.db2.gz NCNSBEKWZKDRIF-ITKZLYELSA-N 1 2 237.303 1.090 20 0 BDADLO CCO/C=C\C(=O)NCc1c[nH+]ccc1OC ZINC000493482056 528529644 /nfs/dbraw/zinc/52/96/44/528529644.db2.gz IESHYIMHFJZHFF-ALCCZGGFSA-N 1 2 236.271 1.257 20 0 BDADLO CCO/C=C\C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000493579724 528534771 /nfs/dbraw/zinc/53/47/71/528534771.db2.gz BOVGIZVQLBAEGW-UFUMDNBCSA-N 1 2 235.287 1.555 20 0 BDADLO CC(C)n1ccc(=NC(=O)/C=C/c2[nH]cc[nH+]2)[nH]1 ZINC000493166596 528584571 /nfs/dbraw/zinc/58/45/71/528584571.db2.gz ZCNPLXVVPMVWPN-ONEGZZNKSA-N 1 2 245.286 1.261 20 0 BDADLO CCCCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492872246 528592230 /nfs/dbraw/zinc/59/22/30/528592230.db2.gz YNWKUZIJWYMQJF-PLNGDYQASA-N 1 2 237.303 1.356 20 0 BDADLO CC(C)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492761834 528709581 /nfs/dbraw/zinc/70/95/81/528709581.db2.gz HEQWGMLEXIRDKX-PCAWENJQSA-N 1 2 249.314 1.306 20 0 BDADLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000494647218 528814506 /nfs/dbraw/zinc/81/45/06/528814506.db2.gz HLXVYOIBPBNLLW-VIFPVBQESA-N 1 2 248.334 1.570 20 0 BDADLO CCC(O)(CC)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493402053 528966352 /nfs/dbraw/zinc/96/63/52/528966352.db2.gz PBMUCWBOBGVKNY-AATRIKPKSA-N 1 2 237.303 1.090 20 0 BDADLO CC1(C)CN(C[N@@H+]2C[C@@H]3C[C@H]2CS3)C(=O)O1 ZINC000496763953 529122091 /nfs/dbraw/zinc/12/20/91/529122091.db2.gz PDMJCBCLTMQTBH-IUCAKERBSA-N 1 2 242.344 1.364 20 0 BDADLO CC1(C)CN(C[N@H+]2C[C@@H]3C[C@H]2CS3)C(=O)O1 ZINC000496763953 529122094 /nfs/dbraw/zinc/12/20/94/529122094.db2.gz PDMJCBCLTMQTBH-IUCAKERBSA-N 1 2 242.344 1.364 20 0 BDADLO CC[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493256450 529235259 /nfs/dbraw/zinc/23/52/59/529235259.db2.gz FUKUSYJFQAQMRT-FSIBCCDJSA-N 1 2 219.288 1.681 20 0 BDADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000492813312 529259874 /nfs/dbraw/zinc/25/98/74/529259874.db2.gz PDFMLYWKXSQILV-RXNFCKPNSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@H]1C[N@H+](CCNC(=O)OC(C)C)CCO1 ZINC000496883867 529293621 /nfs/dbraw/zinc/29/36/21/529293621.db2.gz MPLMNCCISJHYQE-NSHDSACASA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@H]1C[N@@H+](CCNC(=O)OC(C)C)CCO1 ZINC000496883867 529293624 /nfs/dbraw/zinc/29/36/24/529293624.db2.gz MPLMNCCISJHYQE-NSHDSACASA-N 1 2 244.335 1.232 20 0 BDADLO CCCCc1noc(C[N@H+](C)CC(C)(C)O)n1 ZINC000078778904 535119010 /nfs/dbraw/zinc/11/90/10/535119010.db2.gz HLAJCXVANPVNRK-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CC(C)(C)O)n1 ZINC000078778904 535119016 /nfs/dbraw/zinc/11/90/16/535119016.db2.gz HLAJCXVANPVNRK-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000335939238 535233462 /nfs/dbraw/zinc/23/34/62/535233462.db2.gz WKYOARIWEZAHMG-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)(O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000348185662 535313564 /nfs/dbraw/zinc/31/35/64/535313564.db2.gz BZXSGJVBVKBPKY-LLVKDONJSA-N 1 2 246.314 1.255 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnn(CC)c2)CCO1 ZINC000093508549 535437169 /nfs/dbraw/zinc/43/71/69/535437169.db2.gz DPEWDAJNNWKTGS-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)CCO1 ZINC000093508549 535437173 /nfs/dbraw/zinc/43/71/73/535437173.db2.gz DPEWDAJNNWKTGS-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(C)n1 ZINC000348545625 535442639 /nfs/dbraw/zinc/44/26/39/535442639.db2.gz VZNQJTPCCGJHHM-LBPRGKRZSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)n1 ZINC000348545625 535442643 /nfs/dbraw/zinc/44/26/43/535442643.db2.gz VZNQJTPCCGJHHM-LBPRGKRZSA-N 1 2 236.315 1.773 20 0 BDADLO CCCc1nc(C[N@H+](CC)CC(C)(C)O)no1 ZINC000078748809 535520678 /nfs/dbraw/zinc/52/06/78/535520678.db2.gz WVLZOKDSTVVROW-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCCc1nc(C[N@@H+](CC)CC(C)(C)O)no1 ZINC000078748809 535520683 /nfs/dbraw/zinc/52/06/83/535520683.db2.gz WVLZOKDSTVVROW-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCOc1cncc(N2CCn3c[nH+]cc3C2)n1 ZINC000377979581 535567255 /nfs/dbraw/zinc/56/72/55/535567255.db2.gz YPXQAAGMTVNFOX-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000252443385 535626556 /nfs/dbraw/zinc/62/65/56/535626556.db2.gz SBYZUEYIJXIUPO-VWYCJHECSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000252443385 535626560 /nfs/dbraw/zinc/62/65/60/535626560.db2.gz SBYZUEYIJXIUPO-VWYCJHECSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccccn1)C1CCC1 ZINC000261152348 535669981 /nfs/dbraw/zinc/66/99/81/535669981.db2.gz SEWJHWQDDIBOTG-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccccn1)C1CCC1 ZINC000261152348 535669983 /nfs/dbraw/zinc/66/99/83/535669983.db2.gz SEWJHWQDDIBOTG-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547083 535820307 /nfs/dbraw/zinc/82/03/07/535820307.db2.gz CYJSTYREHAJHRA-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(OC)n1 ZINC000172102467 535835885 /nfs/dbraw/zinc/83/58/85/535835885.db2.gz NQOMHZYBKFIGIN-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(OC)n1 ZINC000172102467 535835890 /nfs/dbraw/zinc/83/58/90/535835890.db2.gz NQOMHZYBKFIGIN-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C)c2nncn2C)CCS1 ZINC000335285745 536160110 /nfs/dbraw/zinc/16/01/10/536160110.db2.gz ZNDVCVJNBNKUMQ-ZJUUUORDSA-N 1 2 240.376 1.704 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C)c2nncn2C)CCS1 ZINC000335285745 536160111 /nfs/dbraw/zinc/16/01/11/536160111.db2.gz ZNDVCVJNBNKUMQ-ZJUUUORDSA-N 1 2 240.376 1.704 20 0 BDADLO COC(=O)C[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000265993806 536467714 /nfs/dbraw/zinc/46/77/14/536467714.db2.gz KSPGLEIDAZOCEH-UHFFFAOYSA-N 1 2 235.283 1.530 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000265993806 536467716 /nfs/dbraw/zinc/46/77/16/536467716.db2.gz KSPGLEIDAZOCEH-UHFFFAOYSA-N 1 2 235.283 1.530 20 0 BDADLO CN(c1cc(N2CCOCC2)nc[nH+]1)C1CCC1 ZINC000277820094 536488101 /nfs/dbraw/zinc/48/81/01/536488101.db2.gz OUBXYEDQHISUOV-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO CN(c1cc(N2CCOCC2)[nH+]cn1)C1CCC1 ZINC000277820094 536488102 /nfs/dbraw/zinc/48/81/02/536488102.db2.gz OUBXYEDQHISUOV-UHFFFAOYSA-N 1 2 248.330 1.302 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)CCO)[nH+]1 ZINC000892616404 582930399 /nfs/dbraw/zinc/93/03/99/582930399.db2.gz LGBWDCKZUNSCEP-RKDXNWHRSA-N 1 2 210.277 1.318 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnc(C)nc1)c1ccco1 ZINC000351751263 536719374 /nfs/dbraw/zinc/71/93/74/536719374.db2.gz AKTRVRASEKWKDL-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO CC(=O)c1ccnc(N2CC[NH+](C3CC3)CC2)c1 ZINC000094997192 537858337 /nfs/dbraw/zinc/85/83/37/537858337.db2.gz AHUCFJLWIXCUJL-UHFFFAOYSA-N 1 2 245.326 1.569 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCO[C@@H]2C[C@@H]21 ZINC000644903699 566293136 /nfs/dbraw/zinc/29/31/36/566293136.db2.gz FHMBDYYCXZHKNT-NWDGAFQWSA-N 1 2 221.304 1.437 20 0 BDADLO CC1=CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000892983489 583025596 /nfs/dbraw/zinc/02/55/96/583025596.db2.gz UMHQFVMXLQCBQY-UHFFFAOYSA-N 1 2 218.304 1.699 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)nc1 ZINC000334354821 566326275 /nfs/dbraw/zinc/32/62/75/566326275.db2.gz AMBDWOZKJCXSSI-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)nc1 ZINC000334354821 566326281 /nfs/dbraw/zinc/32/62/81/566326281.db2.gz AMBDWOZKJCXSSI-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cc(N2CC3(C2)CCOCC3)nc[nH+]1 ZINC000893937500 583253281 /nfs/dbraw/zinc/25/32/81/583253281.db2.gz JAOSXUZZSZJRMR-UHFFFAOYSA-N 1 2 219.288 1.402 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000893946792 583258024 /nfs/dbraw/zinc/25/80/24/583258024.db2.gz QOSYJVCVDXYGSO-VIFPVBQESA-N 1 2 209.293 1.100 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@H](O)C2)n1 ZINC000893946792 583258028 /nfs/dbraw/zinc/25/80/28/583258028.db2.gz QOSYJVCVDXYGSO-VIFPVBQESA-N 1 2 209.293 1.100 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]C(CF)CF)[C@]12CCCO2 ZINC000877555764 583326737 /nfs/dbraw/zinc/32/67/37/583326737.db2.gz AWAYYFRROMJGMH-IJLUTSLNSA-N 1 2 249.301 1.610 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501110 588746145 /nfs/dbraw/zinc/74/61/45/588746145.db2.gz YOICHDIGGSJTNH-GFCCVEGCSA-N 1 2 239.319 1.614 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501110 588746146 /nfs/dbraw/zinc/74/61/46/588746146.db2.gz YOICHDIGGSJTNH-GFCCVEGCSA-N 1 2 239.319 1.614 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1cnc(F)cn1 ZINC000853449550 588743904 /nfs/dbraw/zinc/74/39/04/588743904.db2.gz JBXNPHXZJIRGSH-UHFFFAOYSA-N 1 2 235.266 1.339 20 0 BDADLO Fc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)ncn1 ZINC000853470103 588744946 /nfs/dbraw/zinc/74/49/46/588744946.db2.gz YYYGCPYWCOGHMK-MRVPVSSYSA-N 1 2 233.250 1.680 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c(=O)o1 ZINC000853489933 588745415 /nfs/dbraw/zinc/74/54/15/588745415.db2.gz XMTAAEGMYFSUEI-KOLCDFICSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c(=O)o1 ZINC000853489933 588745416 /nfs/dbraw/zinc/74/54/16/588745416.db2.gz XMTAAEGMYFSUEI-KOLCDFICSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=O)o1 ZINC000853490081 588745591 /nfs/dbraw/zinc/74/55/91/588745591.db2.gz MNHISMBNOKFSIR-QMMMGPOBSA-N 1 2 227.308 1.469 20 0 BDADLO Cc1nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=O)o1 ZINC000853490081 588745592 /nfs/dbraw/zinc/74/55/92/588745592.db2.gz MNHISMBNOKFSIR-QMMMGPOBSA-N 1 2 227.308 1.469 20 0 BDADLO Cc1nn(C[N@@H+](C)CCC(C)C)c(=O)o1 ZINC000853491487 588745902 /nfs/dbraw/zinc/74/59/02/588745902.db2.gz PWNGZCOQPAJUPS-UHFFFAOYSA-N 1 2 213.281 1.080 20 0 BDADLO Cc1nn(C[N@H+](C)CCC(C)C)c(=O)o1 ZINC000853491487 588745903 /nfs/dbraw/zinc/74/59/03/588745903.db2.gz PWNGZCOQPAJUPS-UHFFFAOYSA-N 1 2 213.281 1.080 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c(=O)o1 ZINC000853506814 588746852 /nfs/dbraw/zinc/74/68/52/588746852.db2.gz RHWCIJGRWAXSQA-SECBINFHSA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c(=O)o1 ZINC000853506814 588746853 /nfs/dbraw/zinc/74/68/53/588746853.db2.gz RHWCIJGRWAXSQA-SECBINFHSA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+](C)C2CC(C)(C)C2)c(=O)o1 ZINC000853514499 588747298 /nfs/dbraw/zinc/74/72/98/588747298.db2.gz DOQQHBIXOMWGGD-UHFFFAOYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@H+](C)C2CC(C)(C)C2)c(=O)o1 ZINC000853514499 588747299 /nfs/dbraw/zinc/74/72/99/588747299.db2.gz DOQQHBIXOMWGGD-UHFFFAOYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@H+](C)C[C@H]2CC2(C)C)c(=O)o1 ZINC000853628341 588751152 /nfs/dbraw/zinc/75/11/52/588751152.db2.gz SJLJRGBOUZPJCY-SECBINFHSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+](C)C[C@H]2CC2(C)C)c(=O)o1 ZINC000853628341 588751153 /nfs/dbraw/zinc/75/11/53/588751153.db2.gz SJLJRGBOUZPJCY-SECBINFHSA-N 1 2 225.292 1.080 20 0 BDADLO c1cn2c([nH+]1)[C@H](Nc1cnccn1)CC2 ZINC000853650845 588752291 /nfs/dbraw/zinc/75/22/91/588752291.db2.gz LIYWHELZGYJVKZ-MRVPVSSYSA-N 1 2 201.233 1.230 20 0 BDADLO CC(C)OCC(N)=[NH+]O[C@@H]1COC(C)(C)C1 ZINC000853658310 588753161 /nfs/dbraw/zinc/75/31/61/588753161.db2.gz KMQVDOPCPNGCOH-VIFPVBQESA-N 1 2 230.308 1.477 20 0 BDADLO CC1=NO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000853660425 588753187 /nfs/dbraw/zinc/75/31/87/588753187.db2.gz FJHPXLJFZVTFGP-VIFPVBQESA-N 1 2 206.249 1.362 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1csc(Cl)n1 ZINC000853673761 588754601 /nfs/dbraw/zinc/75/46/01/588754601.db2.gz IDWQFTJDNBUBAW-YFKPBYRVSA-N 1 2 249.723 1.830 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]O[C@H]1COC(C)(C)C1 ZINC000853688050 588756563 /nfs/dbraw/zinc/75/65/63/588756563.db2.gz DDTQEJQAJWZMRX-SECBINFHSA-N 1 2 244.335 1.867 20 0 BDADLO Cc1nocc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000853698436 588757737 /nfs/dbraw/zinc/75/77/37/588757737.db2.gz QVXWJDBMRFVOCB-VIFPVBQESA-N 1 2 225.248 1.160 20 0 BDADLO Cc1cc(N2CCC3=C(CCC(=O)N3)C2)nc[nH+]1 ZINC000853747044 588761212 /nfs/dbraw/zinc/76/12/12/588761212.db2.gz XHHGKQVGJZCRMF-UHFFFAOYSA-N 1 2 244.298 1.159 20 0 BDADLO Nc1c(N[C@@H]2C=CCC2)[nH+]cnc1-n1cccn1 ZINC000853800868 588764026 /nfs/dbraw/zinc/76/40/26/588764026.db2.gz ZHHYDBYQQHWOTQ-SECBINFHSA-N 1 2 242.286 1.375 20 0 BDADLO CC1(C)[C@@H](O)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000853898559 588767857 /nfs/dbraw/zinc/76/78/57/588767857.db2.gz KGNWMZFJPAFHTN-JTQLQIEISA-N 1 2 233.315 1.704 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@]1(C)CC1(C)C ZINC000854066854 588772570 /nfs/dbraw/zinc/77/25/70/588772570.db2.gz HRXYLPYIOIFYFP-LBPRGKRZSA-N 1 2 236.319 1.408 20 0 BDADLO Cc1cc[nH+]cc1Cc1noc(C2(O)CCC2)n1 ZINC000854100529 588774750 /nfs/dbraw/zinc/77/47/50/588774750.db2.gz GRARPMYGDRKBTJ-UHFFFAOYSA-N 1 2 245.282 1.735 20 0 BDADLO CC[NH+]1CCN(C(=O)C(C)(C)SC)CC1 ZINC000854122329 588775454 /nfs/dbraw/zinc/77/54/54/588775454.db2.gz XUDHSFDSJBBJCE-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)[C@H]2CCCO2)n1 ZINC000854132185 588775848 /nfs/dbraw/zinc/77/58/48/588775848.db2.gz OKMIMNCHTRBFAS-NXEZZACHSA-N 1 2 239.319 1.537 20 0 BDADLO c1c[nH+]c(-c2cnn([C@@H]3CCCCO3)c2)[nH]1 ZINC000854206911 588779323 /nfs/dbraw/zinc/77/93/23/588779323.db2.gz CHTIREVUFUOKCQ-JTQLQIEISA-N 1 2 218.260 1.972 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854294087 588782814 /nfs/dbraw/zinc/78/28/14/588782814.db2.gz XKRNLOFMVMODIJ-HLTSFMKQSA-N 1 2 224.329 1.642 20 0 BDADLO Cn1nc(NC(=O)Cc2[nH]cc[nH+]2)cc1C1CC1 ZINC000854501605 588789713 /nfs/dbraw/zinc/78/97/13/588789713.db2.gz AVCUMHDGOOAJDK-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]1C(F)(F)F ZINC000854519047 588790188 /nfs/dbraw/zinc/79/01/88/588790188.db2.gz XMKIXLCXTJAYER-ZCFIWIBFSA-N 1 2 233.193 1.115 20 0 BDADLO COC/C(C)=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595202 588796175 /nfs/dbraw/zinc/79/61/75/588796175.db2.gz VZXGFNYVGFQBNB-JGAIRUGNSA-N 1 2 223.276 1.180 20 0 BDADLO COCC(C)=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595202 588796176 /nfs/dbraw/zinc/79/61/76/588796176.db2.gz VZXGFNYVGFQBNB-JGAIRUGNSA-N 1 2 223.276 1.180 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCC1(F)F ZINC000854502006 588789698 /nfs/dbraw/zinc/78/96/98/588789698.db2.gz TUEYTTDEXGRYHW-QMMMGPOBSA-N 1 2 243.257 1.456 20 0 BDADLO CC[C@@H](C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC000854740980 588804852 /nfs/dbraw/zinc/80/48/52/588804852.db2.gz FMQJUAHDLWPGQU-NXEZZACHSA-N 1 2 239.319 1.130 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000854827998 588812424 /nfs/dbraw/zinc/81/24/24/588812424.db2.gz FSCSSADYJBLOEL-BXUZGUMPSA-N 1 2 245.326 1.599 20 0 BDADLO O=C(NCC1CSC1)c1cccc2[nH+]ccn21 ZINC000854876760 588815410 /nfs/dbraw/zinc/81/54/10/588815410.db2.gz KHPCSZKXXJEWNF-UHFFFAOYSA-N 1 2 247.323 1.427 20 0 BDADLO CC(C)(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854903471 588816129 /nfs/dbraw/zinc/81/61/29/588816129.db2.gz DTLAYBJCLGOWMS-UHFFFAOYSA-N 1 2 221.304 1.457 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CC1(C)C ZINC000854955329 588818846 /nfs/dbraw/zinc/81/88/46/588818846.db2.gz RNOXABFAQYJWJQ-VHSXEESVSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(Cc2ccoc2)C1 ZINC000890575699 582482589 /nfs/dbraw/zinc/48/25/89/582482589.db2.gz CXONWPVMJOQANZ-UHFFFAOYSA-N 1 2 245.282 1.246 20 0 BDADLO C[C@H]1C[C@H](NC(=O)OCCF)c2[nH+]ccn21 ZINC000859179819 582485616 /nfs/dbraw/zinc/48/56/16/582485616.db2.gz ARUDRKPGHNKTOL-YUMQZZPRSA-N 1 2 227.239 1.585 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC=CC[C@H]2C)[nH+]1 ZINC000890765168 582541825 /nfs/dbraw/zinc/54/18/25/582541825.db2.gz CUDJZBFBBHCWGS-ZYHUDNBSSA-N 1 2 247.342 1.986 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000855427439 588833932 /nfs/dbraw/zinc/83/39/32/588833932.db2.gz YZSJDWOILVCIFN-GHMZBOCLSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC=CC[C@H]2C)c[nH+]1 ZINC000890769343 582547970 /nfs/dbraw/zinc/54/79/70/582547970.db2.gz SFVZSFXRNHZLSP-PSASIEDQSA-N 1 2 219.288 1.803 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1csc(Cl)n1 ZINC000844450593 582589327 /nfs/dbraw/zinc/58/93/27/582589327.db2.gz PLGNQJIKWNYITO-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1csc(Cl)n1 ZINC000844450593 582589328 /nfs/dbraw/zinc/58/93/28/582589328.db2.gz PLGNQJIKWNYITO-SSDOTTSWSA-N 1 2 234.752 1.999 20 0 BDADLO Cc1cnc(COC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000844466398 582593865 /nfs/dbraw/zinc/59/38/65/582593865.db2.gz SHTVUOQBRMRGAM-VIFPVBQESA-N 1 2 249.270 1.874 20 0 BDADLO C[C@H](CC(=O)NC/C=C\Cl)n1cc[nH+]c1 ZINC000891200447 582626613 /nfs/dbraw/zinc/62/66/13/582626613.db2.gz HPZZNGVDMIOUIA-PKRMOACSSA-N 1 2 227.695 1.703 20 0 BDADLO O=C(NC/C=C/Cl)[C@H]1CCc2c[nH+]cn2C1 ZINC000891201420 582627192 /nfs/dbraw/zinc/62/71/92/582627192.db2.gz WYGPNMKJVVFHBB-PWTMJPFMSA-N 1 2 239.706 1.314 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C/C=C/Cl ZINC000113511472 588841882 /nfs/dbraw/zinc/84/18/82/588841882.db2.gz PIJHOWQQDOHYOG-VUHVRTRXSA-N 1 2 239.768 1.494 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C/C=C/Cl ZINC000113511472 588841883 /nfs/dbraw/zinc/84/18/83/588841883.db2.gz PIJHOWQQDOHYOG-VUHVRTRXSA-N 1 2 239.768 1.494 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)C[C@@H]1O ZINC000846841060 582667728 /nfs/dbraw/zinc/66/77/28/582667728.db2.gz VYPQYXOMHGJXFX-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)C[C@@H]1O ZINC000846841060 582667731 /nfs/dbraw/zinc/66/77/31/582667731.db2.gz VYPQYXOMHGJXFX-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO Cc1cc(C)cc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000855614780 588842447 /nfs/dbraw/zinc/84/24/47/588842447.db2.gz WSBVHKLKCOSWDQ-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CCc1cc(N2CCC[C@H](O)C2)nc(CC)[nH+]1 ZINC000891430919 582683738 /nfs/dbraw/zinc/68/37/38/582683738.db2.gz LRZAPVNWFOUNNY-NSHDSACASA-N 1 2 235.331 1.563 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1COC2(CCC2)C1 ZINC000855659858 588844084 /nfs/dbraw/zinc/84/40/84/588844084.db2.gz ZDJZFLDKIKRVLE-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCO[C@H](C)C1 ZINC000891543582 582695779 /nfs/dbraw/zinc/69/57/79/582695779.db2.gz SMOADWQQZCTGBC-SNVBAGLBSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCO[C@H](C)C1 ZINC000891543582 582695781 /nfs/dbraw/zinc/69/57/81/582695781.db2.gz SMOADWQQZCTGBC-SNVBAGLBSA-N 1 2 224.279 1.750 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)o1 ZINC000891552003 582696393 /nfs/dbraw/zinc/69/63/93/582696393.db2.gz CVXCNTCMNBODGV-JTQLQIEISA-N 1 2 239.271 1.426 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)o1 ZINC000891552003 582696396 /nfs/dbraw/zinc/69/63/96/582696396.db2.gz CVXCNTCMNBODGV-JTQLQIEISA-N 1 2 239.271 1.426 20 0 BDADLO CCOCc1nc(C)cc(-n2cc[nH+]c2)n1 ZINC000891550555 582696609 /nfs/dbraw/zinc/69/66/09/582696609.db2.gz OTURHPKUVZUNAE-UHFFFAOYSA-N 1 2 218.260 1.507 20 0 BDADLO CC(C)NC(=O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000891582602 582699178 /nfs/dbraw/zinc/69/91/78/582699178.db2.gz FFXJOZWNQGVZPR-SECBINFHSA-N 1 2 237.303 1.071 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cnc(F)c(C)c1 ZINC000891612388 582702395 /nfs/dbraw/zinc/70/23/95/582702395.db2.gz YUJLTCZSBCBNTC-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cnc(F)c(C)c1 ZINC000891612388 582702399 /nfs/dbraw/zinc/70/23/99/582702399.db2.gz YUJLTCZSBCBNTC-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(OCC)o1 ZINC000891737208 582715318 /nfs/dbraw/zinc/71/53/18/582715318.db2.gz XWFIBTKIAFVFLP-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(OCC)o1 ZINC000891737208 582715320 /nfs/dbraw/zinc/71/53/20/582715320.db2.gz XWFIBTKIAFVFLP-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000663235201 582716277 /nfs/dbraw/zinc/71/62/77/582716277.db2.gz ZRQGBRGWWZEVHL-VXGBXAGGSA-N 1 2 248.330 1.325 20 0 BDADLO C[C@H](Cn1ccnc1)Nc1nccn2c[nH+]cc12 ZINC000891783229 582719912 /nfs/dbraw/zinc/71/99/12/582719912.db2.gz BGYTZKXZSJSCAZ-SNVBAGLBSA-N 1 2 242.286 1.426 20 0 BDADLO C[C@@H](Cn1ccnc1)Nc1nccn2c[nH+]cc12 ZINC000891783228 582720528 /nfs/dbraw/zinc/72/05/28/582720528.db2.gz BGYTZKXZSJSCAZ-JTQLQIEISA-N 1 2 242.286 1.426 20 0 BDADLO CN(C)c1cc(N2CCCSCC2)nc[nH+]1 ZINC000891864262 582731118 /nfs/dbraw/zinc/73/11/18/582731118.db2.gz OKFCXEKIKZGEFJ-UHFFFAOYSA-N 1 2 238.360 1.486 20 0 BDADLO CN(C)c1cc(N2CCCSCC2)[nH+]cn1 ZINC000891864262 582731119 /nfs/dbraw/zinc/73/11/19/582731119.db2.gz OKFCXEKIKZGEFJ-UHFFFAOYSA-N 1 2 238.360 1.486 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000855774211 588847487 /nfs/dbraw/zinc/84/74/87/588847487.db2.gz UZHILZXGORHWKA-GARJFASQSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C2CC2)CCCO1 ZINC000891918716 582738059 /nfs/dbraw/zinc/73/80/59/582738059.db2.gz YNHWRMSTWCMALO-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C2CC2)CCCO1 ZINC000891918716 582738062 /nfs/dbraw/zinc/73/80/62/582738062.db2.gz YNHWRMSTWCMALO-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO C=C=CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000848113855 582748935 /nfs/dbraw/zinc/74/89/35/582748935.db2.gz AETSKSYFISOCMC-UHFFFAOYSA-N 1 2 205.261 1.145 20 0 BDADLO Cc1cc(NCc2nc[nH]n2)nc(C2CCC2)[nH+]1 ZINC000891985292 582753106 /nfs/dbraw/zinc/75/31/06/582753106.db2.gz BFXRDYLOONARKR-UHFFFAOYSA-N 1 2 244.302 1.783 20 0 BDADLO Cc1cc(NCc2nnc[nH]2)nc(C2CCC2)[nH+]1 ZINC000891985292 582753108 /nfs/dbraw/zinc/75/31/08/582753108.db2.gz BFXRDYLOONARKR-UHFFFAOYSA-N 1 2 244.302 1.783 20 0 BDADLO c1cn(C2CC2)c(CN2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000892051754 582774877 /nfs/dbraw/zinc/77/48/77/582774877.db2.gz AXNMOVAWBFFECP-TXEJJXNPSA-N 1 2 233.315 1.581 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)[nH+]cn2)CCCO1 ZINC000892295309 582829971 /nfs/dbraw/zinc/82/99/71/582829971.db2.gz JTALARFELQCMNK-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO C[C@H]1CN(c2cc(N(C)C)nc[nH+]2)CCCO1 ZINC000892295309 582829973 /nfs/dbraw/zinc/82/99/73/582829973.db2.gz JTALARFELQCMNK-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO CNc1cc(N[C@H](C)c2cn(C)nc2C)nc[nH+]1 ZINC000892303974 582832853 /nfs/dbraw/zinc/83/28/53/582832853.db2.gz QRMMGTWNFXXLMI-MRVPVSSYSA-N 1 2 246.318 1.733 20 0 BDADLO CNc1cc(N[C@H](C)c2cn(C)nc2C)[nH+]cn1 ZINC000892303974 582832855 /nfs/dbraw/zinc/83/28/55/582832855.db2.gz QRMMGTWNFXXLMI-MRVPVSSYSA-N 1 2 246.318 1.733 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CCC=CO2)cc[nH+]1 ZINC000782058619 582867768 /nfs/dbraw/zinc/86/77/68/582867768.db2.gz NSCDXSFKHOFQCC-LBPRGKRZSA-N 1 2 247.298 1.626 20 0 BDADLO CCc1cc(C[NH2+]Cc2ccc(OC)cn2)on1 ZINC000892397510 582875751 /nfs/dbraw/zinc/87/57/51/582875751.db2.gz PBIHLOWFURXLGY-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO C[C@H](O)c1cccc(NC[C@]2(C)CCOC2)[nH+]1 ZINC000892510327 582902055 /nfs/dbraw/zinc/90/20/55/582902055.db2.gz KMEOWGFHDDCVTN-GWCFXTLKSA-N 1 2 236.315 1.973 20 0 BDADLO CCc1cc(N2CC[C@@H](CO)C2)nc(CC)[nH+]1 ZINC000892638022 582935846 /nfs/dbraw/zinc/93/58/46/582935846.db2.gz UVDPFGIDQHHOLX-SNVBAGLBSA-N 1 2 235.331 1.420 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000892642226 582936572 /nfs/dbraw/zinc/93/65/72/582936572.db2.gz OKCWDENKQPMJBQ-NXEZZACHSA-N 1 2 216.288 1.964 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1cc(N(C)C)[nH+]cn1 ZINC000892641977 582936594 /nfs/dbraw/zinc/93/65/94/582936594.db2.gz HWERWKSFCFJHPV-VHSXEESVSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1cc(N(C)C)nc[nH+]1 ZINC000892641977 582936595 /nfs/dbraw/zinc/93/65/95/582936595.db2.gz HWERWKSFCFJHPV-VHSXEESVSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892644021 582936965 /nfs/dbraw/zinc/93/69/65/582936965.db2.gz AEKNHSLIFRIODO-DCAQKATOSA-N 1 2 238.331 1.954 20 0 BDADLO CNc1cc(N[C@@H](CCO)C2CC2)nc[nH+]1 ZINC000892657946 582942134 /nfs/dbraw/zinc/94/21/34/582942134.db2.gz QUXLDPQLIGPUDV-VIFPVBQESA-N 1 2 222.292 1.091 20 0 BDADLO CNc1cc(N[C@@H](CCO)C2CC2)[nH+]cn1 ZINC000892657946 582942137 /nfs/dbraw/zinc/94/21/37/582942137.db2.gz QUXLDPQLIGPUDV-VIFPVBQESA-N 1 2 222.292 1.091 20 0 BDADLO COc1ccc2ccc(NC(CO)CO)[nH+]c2c1 ZINC000892682032 582952858 /nfs/dbraw/zinc/95/28/58/582952858.db2.gz UEWXNYZMQWWZMZ-UHFFFAOYSA-N 1 2 248.282 1.009 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856276692 588866549 /nfs/dbraw/zinc/86/65/49/588866549.db2.gz CDWBUHPFKDCPPA-SNVBAGLBSA-N 1 2 221.304 1.954 20 0 BDADLO CCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)COC1 ZINC000856276486 588866555 /nfs/dbraw/zinc/86/65/55/588866555.db2.gz BHGICPHLVYPDHJ-SECBINFHSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@H](NC(=O)/C=C\C1CC1)c1[nH+]ccn1C ZINC000856277843 588866636 /nfs/dbraw/zinc/86/66/36/588866636.db2.gz RRFLZRRGKMEBMS-UDIARPCQSA-N 1 2 219.288 1.564 20 0 BDADLO CC/C=C(/C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856276963 588866640 /nfs/dbraw/zinc/86/66/40/588866640.db2.gz FCJHVBSJNOFLDE-MBACFSSFSA-N 1 2 221.304 1.954 20 0 BDADLO CS/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277597 588866737 /nfs/dbraw/zinc/86/67/37/588866737.db2.gz MOSNFORHYSIAIE-NZGHECTNSA-N 1 2 225.317 1.474 20 0 BDADLO C[C@H](NC(=O)[C@H](O)C(C)(C)C)c1[nH+]ccn1C ZINC000856279052 588867075 /nfs/dbraw/zinc/86/70/75/588867075.db2.gz AVVUFPXPYPVEGX-IUCAKERBSA-N 1 2 239.319 1.004 20 0 BDADLO CCO/C=C\C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856282641 588867209 /nfs/dbraw/zinc/86/72/09/588867209.db2.gz YGVHILNNRAQBPW-BZJXQOFCSA-N 1 2 223.276 1.148 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1cc(N(C)C)[nH+]cn1 ZINC000892802806 582986437 /nfs/dbraw/zinc/98/64/37/582986437.db2.gz VFYKHYIPNKBAED-VHSXEESVSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1cc(N(C)C)nc[nH+]1 ZINC000892802806 582986438 /nfs/dbraw/zinc/98/64/38/582986438.db2.gz VFYKHYIPNKBAED-VHSXEESVSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@H]1CC[C@H](C)N1c1cc(N(C)C)[nH+]cn1 ZINC000892899357 583006598 /nfs/dbraw/zinc/00/65/98/583006598.db2.gz KFSKQGUQIAIKNG-UWVGGRQHSA-N 1 2 220.320 1.920 20 0 BDADLO C[C@H]1CC[C@H](C)N1c1cc(N(C)C)nc[nH+]1 ZINC000892899357 583006599 /nfs/dbraw/zinc/00/65/99/583006599.db2.gz KFSKQGUQIAIKNG-UWVGGRQHSA-N 1 2 220.320 1.920 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCOC2)[nH+]1 ZINC000892953815 583018802 /nfs/dbraw/zinc/01/88/02/583018802.db2.gz KUNRUDFATCUKEB-DTWKUNHWSA-N 1 2 208.261 1.336 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](CO)CC2CC2)[nH+]1 ZINC000892976982 583025131 /nfs/dbraw/zinc/02/51/31/583025131.db2.gz LIKNPHILZWSTBF-MWLCHTKSSA-N 1 2 236.315 1.708 20 0 BDADLO CC1=CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000892983489 583025594 /nfs/dbraw/zinc/02/55/94/583025594.db2.gz UMHQFVMXLQCBQY-UHFFFAOYSA-N 1 2 218.304 1.699 20 0 BDADLO Cc1cc(N[C@@H]2CNC(=O)C2)nc(C2CCC2)[nH+]1 ZINC000893101797 583049634 /nfs/dbraw/zinc/04/96/34/583049634.db2.gz BTIUIMCCAPHSTD-JTQLQIEISA-N 1 2 246.314 1.353 20 0 BDADLO COC[C@@H](CNc1cccc([C@H](C)O)[nH+]1)OC ZINC000893117655 583051637 /nfs/dbraw/zinc/05/16/37/583051637.db2.gz XLCICBKFYBAIIA-VHSXEESVSA-N 1 2 240.303 1.208 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893128860 583053929 /nfs/dbraw/zinc/05/39/29/583053929.db2.gz ZEZGZOBGUJBNJG-RKDXNWHRSA-N 1 2 224.308 1.114 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893128860 583053931 /nfs/dbraw/zinc/05/39/31/583053931.db2.gz ZEZGZOBGUJBNJG-RKDXNWHRSA-N 1 2 224.308 1.114 20 0 BDADLO CCc1cc(N2CC[C@@](O)(CC)C2)nc(CC)[nH+]1 ZINC000893279791 583083280 /nfs/dbraw/zinc/08/32/80/583083280.db2.gz QXDQPAWDMDAFCA-AWEZNQCLSA-N 1 2 249.358 1.953 20 0 BDADLO O=C(NOCC1CCC1)c1cccc2[nH+]ccn21 ZINC000856348822 588869181 /nfs/dbraw/zinc/86/91/81/588869181.db2.gz QODCDQXUEKEGHY-UHFFFAOYSA-N 1 2 245.282 1.796 20 0 BDADLO C[C@H](O)c1cccc(NCCOCC(F)F)[nH+]1 ZINC000893424924 583141454 /nfs/dbraw/zinc/14/14/54/583141454.db2.gz GGWZSOVOAFVOEZ-QMMMGPOBSA-N 1 2 246.257 1.829 20 0 BDADLO CCc1cc(N2C[C@H](O)C[C@H]2C)nc(CC)[nH+]1 ZINC000893428936 583142198 /nfs/dbraw/zinc/14/21/98/583142198.db2.gz VUPFIAYDAKWPEH-MWLCHTKSSA-N 1 2 235.331 1.561 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCOC[C@H]2C)[nH+]1 ZINC000893499872 583154062 /nfs/dbraw/zinc/15/40/62/583154062.db2.gz FRIGLEZYWOZHSG-VWYCJHECSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1cnn(C)c1 ZINC000893519239 583156020 /nfs/dbraw/zinc/15/60/20/583156020.db2.gz PGJZROWTAFIYPT-JTQLQIEISA-N 1 2 246.270 1.227 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N(C)c1nccs1 ZINC000893563710 583164915 /nfs/dbraw/zinc/16/49/15/583164915.db2.gz INZQQXFWMCLKEZ-JTQLQIEISA-N 1 2 241.360 1.300 20 0 BDADLO CNc1cc(N2C[C@@H](C3CC3)O[C@@H](C)C2)nc[nH+]1 ZINC000893591008 583168548 /nfs/dbraw/zinc/16/85/48/583168548.db2.gz DHFUHGLSVJINNJ-ONGXEEELSA-N 1 2 248.330 1.522 20 0 BDADLO CNc1cc(N2C[C@@H](C3CC3)O[C@@H](C)C2)[nH+]cn1 ZINC000893591008 583168550 /nfs/dbraw/zinc/16/85/50/583168550.db2.gz DHFUHGLSVJINNJ-ONGXEEELSA-N 1 2 248.330 1.522 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cn(C)nc1Cl ZINC000857022711 588883025 /nfs/dbraw/zinc/88/30/25/588883025.db2.gz RWIPXGVCNMGNBF-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cn(C)nc1Cl ZINC000857022711 588883026 /nfs/dbraw/zinc/88/30/26/588883026.db2.gz RWIPXGVCNMGNBF-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CC1=CCCN(c2nc(N)[nH+]c(C3CC3)n2)C1 ZINC000893662043 583190533 /nfs/dbraw/zinc/19/05/33/583190533.db2.gz RFODISNHJQEAIP-UHFFFAOYSA-N 1 2 231.303 1.488 20 0 BDADLO CC1=CCCN(c2nc(N)nc(C3CC3)[nH+]2)C1 ZINC000893662043 583190535 /nfs/dbraw/zinc/19/05/35/583190535.db2.gz RFODISNHJQEAIP-UHFFFAOYSA-N 1 2 231.303 1.488 20 0 BDADLO CO[C@@H](C)CN(C)c1nccn2c[nH+]cc12 ZINC000893849713 583232789 /nfs/dbraw/zinc/23/27/89/583232789.db2.gz YHVLXOYESOXMGT-VIFPVBQESA-N 1 2 220.276 1.200 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000893872256 583236800 /nfs/dbraw/zinc/23/68/00/583236800.db2.gz PLIANNGSKCBBCA-SNVBAGLBSA-N 1 2 223.320 1.490 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000893872256 583236802 /nfs/dbraw/zinc/23/68/02/583236802.db2.gz PLIANNGSKCBBCA-SNVBAGLBSA-N 1 2 223.320 1.490 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3oc(=O)oc3c2)CCO1 ZINC000893916192 583246319 /nfs/dbraw/zinc/24/63/19/583246319.db2.gz FBEHLBCDWRXRCT-SECBINFHSA-N 1 2 249.266 1.607 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3oc(=O)oc3c2)CCO1 ZINC000893916192 583246320 /nfs/dbraw/zinc/24/63/20/583246320.db2.gz FBEHLBCDWRXRCT-SECBINFHSA-N 1 2 249.266 1.607 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ocnc2C)CCO1 ZINC000893920012 583248224 /nfs/dbraw/zinc/24/82/24/583248224.db2.gz NZNMTQOJZAJBHJ-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ocnc2C)CCO1 ZINC000893920012 583248226 /nfs/dbraw/zinc/24/82/26/583248226.db2.gz NZNMTQOJZAJBHJ-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(N2CC3(C2)CCOCC3)cc[nH+]1 ZINC000893937431 583254114 /nfs/dbraw/zinc/25/41/14/583254114.db2.gz GOEKSSNHWPNLFL-UHFFFAOYSA-N 1 2 219.288 1.402 20 0 BDADLO CCc1cc(N[C@@H](C)C(=O)NC)nc(CC)[nH+]1 ZINC000893963370 583257761 /nfs/dbraw/zinc/25/77/61/583257761.db2.gz DBDQEMYFLVHQGN-QMMMGPOBSA-N 1 2 236.319 1.148 20 0 BDADLO COC[C@H]([NH2+]C1CC2(C1)CCCC2)C(=O)OC ZINC000893954728 583261693 /nfs/dbraw/zinc/26/16/93/583261693.db2.gz GYHXBNFXDVUJHQ-NSHDSACASA-N 1 2 241.331 1.487 20 0 BDADLO Cc1coc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000893983676 583269289 /nfs/dbraw/zinc/26/92/89/583269289.db2.gz FKBXRONMRWMJOH-CHWSQXEVSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1coc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000893983676 583269291 /nfs/dbraw/zinc/26/92/91/583269291.db2.gz FKBXRONMRWMJOH-CHWSQXEVSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1coc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000894002831 583272591 /nfs/dbraw/zinc/27/25/91/583272591.db2.gz SGXFFXPKPUXAIE-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1coc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000894002831 583272593 /nfs/dbraw/zinc/27/25/93/583272593.db2.gz SGXFFXPKPUXAIE-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO C[C@H](CCO)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000894015310 583275847 /nfs/dbraw/zinc/27/58/47/583275847.db2.gz GYLSGLKXICJBIE-QWRGUYRKSA-N 1 2 238.331 1.955 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2c(C)ccnc2N)CCO1 ZINC000894034584 583278651 /nfs/dbraw/zinc/27/86/51/583278651.db2.gz RRTNRFMKBJMFOX-LBPRGKRZSA-N 1 2 249.358 1.973 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2c(C)ccnc2N)CCO1 ZINC000894034584 583278656 /nfs/dbraw/zinc/27/86/56/583278656.db2.gz RRTNRFMKBJMFOX-LBPRGKRZSA-N 1 2 249.358 1.973 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCc1ccc(C)c(C)c1 ZINC000894026714 583280450 /nfs/dbraw/zinc/28/04/50/583280450.db2.gz CGJFZICTQDPHFE-LBPRGKRZSA-N 1 2 235.327 1.997 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000894030514 583282978 /nfs/dbraw/zinc/28/29/78/583282978.db2.gz JSTHBACFHVMMQU-AOOOYVTPSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000894030514 583282981 /nfs/dbraw/zinc/28/29/81/583282981.db2.gz JSTHBACFHVMMQU-AOOOYVTPSA-N 1 2 208.261 1.346 20 0 BDADLO CCC1(CNc2cccc([C@H](C)O)[nH+]2)COC1 ZINC000894100199 583304949 /nfs/dbraw/zinc/30/49/49/583304949.db2.gz WYLNARLQUXGFRA-JTQLQIEISA-N 1 2 236.315 1.973 20 0 BDADLO C[C@@H](O)c1cccc(N2CC[C@@H](O)[C@H]2C)[nH+]1 ZINC000894106366 583306716 /nfs/dbraw/zinc/30/67/16/583306716.db2.gz YQRFTIRGMGXKJE-FXPVBKGRSA-N 1 2 222.288 1.094 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@]2(C)CCC(=O)N2)[nH+]1 ZINC000894141297 583316870 /nfs/dbraw/zinc/31/68/70/583316870.db2.gz WEWGRZPHUGOUMF-RNCFNFMXSA-N 1 2 249.314 1.216 20 0 BDADLO C[C@@H]1CC[C@H](CNc2cc(N(C)C)nc[nH+]2)O1 ZINC000894152353 583319084 /nfs/dbraw/zinc/31/90/84/583319084.db2.gz KKCULMVWTRIGNW-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1CC[C@H](CNc2cc(N(C)C)[nH+]cn2)O1 ZINC000894152353 583319085 /nfs/dbraw/zinc/31/90/85/583319085.db2.gz KKCULMVWTRIGNW-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO Cn1c[nH+]c(CCNc2nccn3ccnc23)c1 ZINC000894151770 583319113 /nfs/dbraw/zinc/31/91/13/583319113.db2.gz VGNIGLCUXIQOED-UHFFFAOYSA-N 1 2 242.286 1.117 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nc(Cl)cs1 ZINC000877527614 583322604 /nfs/dbraw/zinc/32/26/04/583322604.db2.gz TZABJMVPMRIWLL-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877527614 583322608 /nfs/dbraw/zinc/32/26/08/583322608.db2.gz TZABJMVPMRIWLL-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877754262 583345930 /nfs/dbraw/zinc/34/59/30/583345930.db2.gz ZIDNRXDTAJXBEH-LLVKDONJSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877754262 583345933 /nfs/dbraw/zinc/34/59/33/583345933.db2.gz ZIDNRXDTAJXBEH-LLVKDONJSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1noc(C)c1CN(C)Cc1cn(C)c[nH+]1 ZINC000788011161 583349642 /nfs/dbraw/zinc/34/96/42/583349642.db2.gz DRSLGKRBTYKACM-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO O=C1CCN1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000857238002 588900919 /nfs/dbraw/zinc/90/09/19/588900919.db2.gz ZCRPCMNSOCKEOU-LBPRGKRZSA-N 1 2 238.331 1.067 20 0 BDADLO O=C1CCN1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000857238002 588900921 /nfs/dbraw/zinc/90/09/21/588900921.db2.gz ZCRPCMNSOCKEOU-LBPRGKRZSA-N 1 2 238.331 1.067 20 0 BDADLO C(c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1)C1CC1 ZINC000878317221 583369175 /nfs/dbraw/zinc/36/91/75/583369175.db2.gz OLKSGMUYAACFPV-ZJUUUORDSA-N 1 2 219.288 1.616 20 0 BDADLO C(c1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1)C1CC1 ZINC000878317221 583369177 /nfs/dbraw/zinc/36/91/77/583369177.db2.gz OLKSGMUYAACFPV-ZJUUUORDSA-N 1 2 219.288 1.616 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CCOCC13CC3)CCC2 ZINC000894278260 583406738 /nfs/dbraw/zinc/40/67/38/583406738.db2.gz DSWTZOGISOEQBD-UHFFFAOYSA-N 1 2 247.342 1.274 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CCOCC13CC3)CCC2 ZINC000894278260 583406740 /nfs/dbraw/zinc/40/67/40/583406740.db2.gz DSWTZOGISOEQBD-UHFFFAOYSA-N 1 2 247.342 1.274 20 0 BDADLO c1nn(C2CCC2)cc1C[N@@H+]1CCOCC12CC2 ZINC000894279082 583407804 /nfs/dbraw/zinc/40/78/04/583407804.db2.gz MBAFXOJDWLCQGU-UHFFFAOYSA-N 1 2 247.342 1.973 20 0 BDADLO c1nn(C2CCC2)cc1C[N@H+]1CCOCC12CC2 ZINC000894279082 583407806 /nfs/dbraw/zinc/40/78/06/583407806.db2.gz MBAFXOJDWLCQGU-UHFFFAOYSA-N 1 2 247.342 1.973 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563237 583439243 /nfs/dbraw/zinc/43/92/43/583439243.db2.gz BSFRTHPKUCERLW-NXEZZACHSA-N 1 2 238.360 1.032 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563237 583439244 /nfs/dbraw/zinc/43/92/44/583439244.db2.gz BSFRTHPKUCERLW-NXEZZACHSA-N 1 2 238.360 1.032 20 0 BDADLO C[N@H+](CCOCc1ccccc1)CN1CCC1=O ZINC000857235630 588899602 /nfs/dbraw/zinc/89/96/02/588899602.db2.gz VFEHJDPJYHXTJI-UHFFFAOYSA-N 1 2 248.326 1.325 20 0 BDADLO C[N@@H+](CCOCc1ccccc1)CN1CCC1=O ZINC000857235630 588899604 /nfs/dbraw/zinc/89/96/04/588899604.db2.gz VFEHJDPJYHXTJI-UHFFFAOYSA-N 1 2 248.326 1.325 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)CN1CCC1=O ZINC000857236422 588899792 /nfs/dbraw/zinc/89/97/92/588899792.db2.gz YNHDYTITOQCZON-UHFFFAOYSA-N 1 2 236.290 1.756 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)CN1CCC1=O ZINC000857236422 588899794 /nfs/dbraw/zinc/89/97/94/588899794.db2.gz YNHDYTITOQCZON-UHFFFAOYSA-N 1 2 236.290 1.756 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1C ZINC000894453344 583463185 /nfs/dbraw/zinc/46/31/85/583463185.db2.gz PUZHTVIKSZXHAZ-PWJLMRLQSA-N 1 2 243.376 1.225 20 0 BDADLO Cc1n[nH]c(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1C ZINC000894453344 583463188 /nfs/dbraw/zinc/46/31/88/583463188.db2.gz PUZHTVIKSZXHAZ-PWJLMRLQSA-N 1 2 243.376 1.225 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2ccno2)c1C ZINC000894452691 583463884 /nfs/dbraw/zinc/46/38/84/583463884.db2.gz JZQARDQKMMEVCU-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894465670 583467954 /nfs/dbraw/zinc/46/79/54/583467954.db2.gz ZIWALDLFQVIAFA-ZETCQYMHSA-N 1 2 243.738 1.753 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894465670 583467956 /nfs/dbraw/zinc/46/79/56/583467956.db2.gz ZIWALDLFQVIAFA-ZETCQYMHSA-N 1 2 243.738 1.753 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000894533493 583478890 /nfs/dbraw/zinc/47/88/90/583478890.db2.gz NKMNWNYPUUANOB-KOLCDFICSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000894533493 583478892 /nfs/dbraw/zinc/47/88/92/583478892.db2.gz NKMNWNYPUUANOB-KOLCDFICSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCC[C@H](C)CC1)C(=O)OC ZINC000894539158 583479336 /nfs/dbraw/zinc/47/93/36/583479336.db2.gz PMZCZXMLEZQDGI-TUAOUCFPSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1noc([C@@H](C)NCc2c(C)cc[nH+]c2N)n1 ZINC000894541831 583480858 /nfs/dbraw/zinc/48/08/58/583480858.db2.gz FAHXDGNPPJSYMD-MRVPVSSYSA-N 1 2 247.302 1.514 20 0 BDADLO C[C@H](O)c1cccc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]1 ZINC000894566174 583483948 /nfs/dbraw/zinc/48/39/48/583483948.db2.gz NSJVHONDYHJYBI-OUJBWJOFSA-N 1 2 234.299 1.096 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000894585066 583489476 /nfs/dbraw/zinc/48/94/76/583489476.db2.gz BMNKMZNXGUKMSB-WDEREUQCSA-N 1 2 225.336 1.903 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000894585066 583489478 /nfs/dbraw/zinc/48/94/78/583489478.db2.gz BMNKMZNXGUKMSB-WDEREUQCSA-N 1 2 225.336 1.903 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000894597429 583492851 /nfs/dbraw/zinc/49/28/51/583492851.db2.gz ZLLGHJJJTDVCTF-LLVKDONJSA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000894597429 583492853 /nfs/dbraw/zinc/49/28/53/583492853.db2.gz ZLLGHJJJTDVCTF-LLVKDONJSA-N 1 2 237.347 1.736 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@H]4C[C@H]4C3)c12 ZINC000894594986 583493329 /nfs/dbraw/zinc/49/33/29/583493329.db2.gz XCKLHMGTEHHBTH-UWVGGRQHSA-N 1 2 214.272 1.576 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nccn1C1CC1 ZINC000894612847 583494696 /nfs/dbraw/zinc/49/46/96/583494696.db2.gz OYIFJWWHHQWHQA-LLVKDONJSA-N 1 2 221.304 1.439 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nccn1C1CC1 ZINC000894612847 583494698 /nfs/dbraw/zinc/49/46/98/583494698.db2.gz OYIFJWWHHQWHQA-LLVKDONJSA-N 1 2 221.304 1.439 20 0 BDADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@]1(C)CO ZINC000894623787 583496100 /nfs/dbraw/zinc/49/61/00/583496100.db2.gz RAPMKPRESQSPFK-GXFFZTMASA-N 1 2 246.314 1.184 20 0 BDADLO Cn1cc(C[NH2+]C(CF)CF)c(C2CC2)n1 ZINC000894667038 583501833 /nfs/dbraw/zinc/50/18/33/583501833.db2.gz KVXCCYJPROWREX-UHFFFAOYSA-N 1 2 229.274 1.695 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]C(CF)CF)[C@H]1OC ZINC000894666980 583502117 /nfs/dbraw/zinc/50/21/17/583502117.db2.gz JXTFHMQOAWPWAO-OPRDCNLKSA-N 1 2 223.263 1.076 20 0 BDADLO CCn1cc(C[NH2+]C(CF)CF)c(C)n1 ZINC000894667992 583502886 /nfs/dbraw/zinc/50/28/86/583502886.db2.gz OEBXSIVQLBTJEB-UHFFFAOYSA-N 1 2 217.263 1.609 20 0 BDADLO COc1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000894659640 583503939 /nfs/dbraw/zinc/50/39/39/583503939.db2.gz YFHJPFJQNUWSDK-UHFFFAOYSA-N 1 2 223.272 1.651 20 0 BDADLO COc1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000894659640 583503941 /nfs/dbraw/zinc/50/39/41/583503941.db2.gz YFHJPFJQNUWSDK-UHFFFAOYSA-N 1 2 223.272 1.651 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000894737645 583514539 /nfs/dbraw/zinc/51/45/39/583514539.db2.gz BGNSPVCRADWGIE-GFCCVEGCSA-N 1 2 248.330 1.058 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000894737645 583514540 /nfs/dbraw/zinc/51/45/40/583514540.db2.gz BGNSPVCRADWGIE-GFCCVEGCSA-N 1 2 248.330 1.058 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cn(CC)nn2)o1 ZINC000894754952 583516146 /nfs/dbraw/zinc/51/61/46/583516146.db2.gz WXPOHLIUHMMWAT-UHFFFAOYSA-N 1 2 235.291 1.138 20 0 BDADLO CN(C)c1cc(NCc2ccc[nH]c2=O)[nH+]cn1 ZINC000894810855 583523734 /nfs/dbraw/zinc/52/37/34/583523734.db2.gz IDXJBDYLKXRZIG-UHFFFAOYSA-N 1 2 245.286 1.255 20 0 BDADLO CN(C)c1cc(NCc2ccc[nH]c2=O)nc[nH+]1 ZINC000894810855 583523735 /nfs/dbraw/zinc/52/37/35/583523735.db2.gz IDXJBDYLKXRZIG-UHFFFAOYSA-N 1 2 245.286 1.255 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCCCC(C)C ZINC000894825125 583526497 /nfs/dbraw/zinc/52/64/97/583526497.db2.gz NEMZSSABAPOXOL-LBPRGKRZSA-N 1 2 231.336 1.326 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880300914 583526745 /nfs/dbraw/zinc/52/67/45/583526745.db2.gz YPBIMWLZAJRQOP-SECBINFHSA-N 1 2 240.326 1.894 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880300914 583526747 /nfs/dbraw/zinc/52/67/47/583526747.db2.gz YPBIMWLZAJRQOP-SECBINFHSA-N 1 2 240.326 1.894 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880313051 583528793 /nfs/dbraw/zinc/52/87/93/583528793.db2.gz FAYCXZYLOMMYEP-PHIMTYICSA-N 1 2 246.301 1.442 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880313051 583528796 /nfs/dbraw/zinc/52/87/96/583528796.db2.gz FAYCXZYLOMMYEP-PHIMTYICSA-N 1 2 246.301 1.442 20 0 BDADLO Cc1ccnc(N)c1C[NH2+][C@H]1CCn2ccnc21 ZINC000894869676 583538807 /nfs/dbraw/zinc/53/88/07/583538807.db2.gz CBKARIQHXFUZLF-NSHDSACASA-N 1 2 243.314 1.403 20 0 BDADLO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894881959 583544381 /nfs/dbraw/zinc/54/43/81/583544381.db2.gz TYTMXGZUKZZZPL-AAEUAGOBSA-N 1 2 237.347 1.619 20 0 BDADLO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894881959 583544382 /nfs/dbraw/zinc/54/43/82/583544382.db2.gz TYTMXGZUKZZZPL-AAEUAGOBSA-N 1 2 237.347 1.619 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000857762466 588909889 /nfs/dbraw/zinc/90/98/89/588909889.db2.gz DPBHLVGZTDCFCS-GRYCIOLGSA-N 1 2 240.347 1.613 20 0 BDADLO COC(=O)[C@H]1[C@H](C[N@@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894888888 583547092 /nfs/dbraw/zinc/54/70/92/583547092.db2.gz KLIKYMWZRPYCGZ-GJMOJQLCSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@H]1[C@H](C[N@H+]2CC[C@@H](F)C2)C1(F)F ZINC000894888888 583547093 /nfs/dbraw/zinc/54/70/93/583547093.db2.gz KLIKYMWZRPYCGZ-GJMOJQLCSA-N 1 2 237.221 1.085 20 0 BDADLO Cc1cc(N2Cc3c[nH]nc3[C@H](C)C2)nc[nH+]1 ZINC000894894210 583549418 /nfs/dbraw/zinc/54/94/18/583549418.db2.gz KBRBUFDQDZWOFX-MRVPVSSYSA-N 1 2 229.287 1.632 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccn(C)n1 ZINC000857870229 588917620 /nfs/dbraw/zinc/91/76/20/588917620.db2.gz UZUFXYBBXQOYTH-JOYOIKCWSA-N 1 2 245.330 1.871 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2ccc(Cl)cn2)C1 ZINC000894976990 583563510 /nfs/dbraw/zinc/56/35/10/583563510.db2.gz PAMWCWZYFJHIET-UHFFFAOYSA-N 1 2 240.734 1.938 20 0 BDADLO CNc1cc(N[C@H](C)c2ccnn2C)nc[nH+]1 ZINC000895036080 583570191 /nfs/dbraw/zinc/57/01/91/583570191.db2.gz YGVWYVXWHZOEDI-MRVPVSSYSA-N 1 2 232.291 1.425 20 0 BDADLO CNc1cc(N[C@H](C)c2ccnn2C)[nH+]cn1 ZINC000895036080 583570192 /nfs/dbraw/zinc/57/01/92/583570192.db2.gz YGVWYVXWHZOEDI-MRVPVSSYSA-N 1 2 232.291 1.425 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1C ZINC000895035069 583570620 /nfs/dbraw/zinc/57/06/20/583570620.db2.gz WIJRLHVZAYAXBY-SKDRFNHKSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1C ZINC000895035069 583570621 /nfs/dbraw/zinc/57/06/21/583570621.db2.gz WIJRLHVZAYAXBY-SKDRFNHKSA-N 1 2 237.347 1.477 20 0 BDADLO CNc1cc(N[C@H]2CCCn3nccc32)nc[nH+]1 ZINC000895045613 583571638 /nfs/dbraw/zinc/57/16/38/583571638.db2.gz ZQTLSWQIIGQPKV-VIFPVBQESA-N 1 2 244.302 1.662 20 0 BDADLO CNc1cc(N[C@H]2CCCn3nccc32)[nH+]cn1 ZINC000895045613 583571640 /nfs/dbraw/zinc/57/16/40/583571640.db2.gz ZQTLSWQIIGQPKV-VIFPVBQESA-N 1 2 244.302 1.662 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1cc(N(C)C)nc[nH+]1 ZINC000895045265 583571886 /nfs/dbraw/zinc/57/18/86/583571886.db2.gz VUHYPKSGWCNJBH-ZJUUUORDSA-N 1 2 238.335 1.504 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1cc(N(C)C)[nH+]cn1 ZINC000895045265 583571887 /nfs/dbraw/zinc/57/18/87/583571887.db2.gz VUHYPKSGWCNJBH-ZJUUUORDSA-N 1 2 238.335 1.504 20 0 BDADLO CC(=O)C1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000895063967 583577697 /nfs/dbraw/zinc/57/76/97/583577697.db2.gz OLMDQJCZAMPYQF-UHFFFAOYSA-N 1 2 248.330 1.348 20 0 BDADLO CC(=O)C1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000895063967 583577698 /nfs/dbraw/zinc/57/76/98/583577698.db2.gz OLMDQJCZAMPYQF-UHFFFAOYSA-N 1 2 248.330 1.348 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cccc(O)c1 ZINC000895112278 583590955 /nfs/dbraw/zinc/59/09/55/583590955.db2.gz CGJACNJUELQQLG-GARJFASQSA-N 1 2 248.326 1.490 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cccc(O)c1 ZINC000895112278 583590957 /nfs/dbraw/zinc/59/09/57/583590957.db2.gz CGJACNJUELQQLG-GARJFASQSA-N 1 2 248.326 1.490 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)on1 ZINC000895120569 583594199 /nfs/dbraw/zinc/59/41/99/583594199.db2.gz LMLSBKUTAGGBAC-KXUCPTDWSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)on1 ZINC000895120569 583594200 /nfs/dbraw/zinc/59/42/00/583594200.db2.gz LMLSBKUTAGGBAC-KXUCPTDWSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1ncc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)o1 ZINC000895122251 583596625 /nfs/dbraw/zinc/59/66/25/583596625.db2.gz SSHYOOISFGAIKW-XHNCKOQMSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1ncc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)o1 ZINC000895122251 583596626 /nfs/dbraw/zinc/59/66/26/583596626.db2.gz SSHYOOISFGAIKW-XHNCKOQMSA-N 1 2 237.303 1.080 20 0 BDADLO CN(C)c1cc(N2CCC[C@H](CF)C2)nc[nH+]1 ZINC000895132701 583601168 /nfs/dbraw/zinc/60/11/68/583601168.db2.gz YSBFGSAHKZPHJG-SNVBAGLBSA-N 1 2 238.310 1.729 20 0 BDADLO CN(C)c1cc(N2CCC[C@H](CF)C2)[nH+]cn1 ZINC000895132701 583601169 /nfs/dbraw/zinc/60/11/69/583601169.db2.gz YSBFGSAHKZPHJG-SNVBAGLBSA-N 1 2 238.310 1.729 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)o1 ZINC000895182947 583617796 /nfs/dbraw/zinc/61/77/96/583617796.db2.gz FZEKCKGTWGQJPP-QMMMGPOBSA-N 1 2 236.275 1.273 20 0 BDADLO F[C@H]1CCC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC000895191783 583621975 /nfs/dbraw/zinc/62/19/75/583621975.db2.gz SDZPBZNZCRAWPQ-JTQLQIEISA-N 1 2 239.294 1.347 20 0 BDADLO F[C@H]1CCC[N@@H+](Cc2cnc3n2CCOC3)C1 ZINC000895191783 583621976 /nfs/dbraw/zinc/62/19/76/583621976.db2.gz SDZPBZNZCRAWPQ-JTQLQIEISA-N 1 2 239.294 1.347 20 0 BDADLO CCc1cc(N(C)[C@@H]2CCC[C@H]2O)nc(CC)[nH+]1 ZINC000895203707 583624458 /nfs/dbraw/zinc/62/44/58/583624458.db2.gz VIDNDQNIGFGQAN-VXGBXAGGSA-N 1 2 249.358 1.951 20 0 BDADLO CNc1cc(NCc2cc(C3CC3)no2)nc[nH+]1 ZINC000895204413 583625066 /nfs/dbraw/zinc/62/50/66/583625066.db2.gz DAUGTARTMGLPCT-UHFFFAOYSA-N 1 2 245.286 1.996 20 0 BDADLO CNc1cc(NCc2cc(C3CC3)no2)[nH+]cn1 ZINC000895204413 583625069 /nfs/dbraw/zinc/62/50/69/583625069.db2.gz DAUGTARTMGLPCT-UHFFFAOYSA-N 1 2 245.286 1.996 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1C ZINC000895251729 583633218 /nfs/dbraw/zinc/63/32/18/583633218.db2.gz MLNNCDURQVWGBL-OKILXGFUSA-N 1 2 249.358 1.885 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1C ZINC000895251729 583633219 /nfs/dbraw/zinc/63/32/19/583633219.db2.gz MLNNCDURQVWGBL-OKILXGFUSA-N 1 2 249.358 1.885 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccn(C)n1 ZINC000857870229 588917619 /nfs/dbraw/zinc/91/76/19/588917619.db2.gz UZUFXYBBXQOYTH-JOYOIKCWSA-N 1 2 245.330 1.871 20 0 BDADLO CC1=NO[C@H](C[NH2+]Cc2ncnn2C(C)C)C1 ZINC000895299892 583641883 /nfs/dbraw/zinc/64/18/83/583641883.db2.gz HXFWQWKNBBDOCF-JTQLQIEISA-N 1 2 237.307 1.113 20 0 BDADLO COCc1cc(C[NH2+]C[C@@H]2CC(C)=NO2)no1 ZINC000895305613 583643283 /nfs/dbraw/zinc/64/32/83/583643283.db2.gz VIJYVHZALHIKLM-JTQLQIEISA-N 1 2 239.275 1.075 20 0 BDADLO COc1ccc(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000895302661 583645107 /nfs/dbraw/zinc/64/51/07/583645107.db2.gz OWRBORUSIQJCMJ-UHFFFAOYSA-N 1 2 221.260 1.643 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942572 588924316 /nfs/dbraw/zinc/92/43/16/588924316.db2.gz XPIDWXMOFMQJNU-JTQLQIEISA-N 1 2 219.288 1.280 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000895352004 583656630 /nfs/dbraw/zinc/65/66/30/583656630.db2.gz MDIZCPKOUROUPR-ZWNOBZJWSA-N 1 2 231.299 1.621 20 0 BDADLO O=C1O[C@H](C[N@@H+]2Cc3ccncc3C2)CC12CC2 ZINC000857879724 588919495 /nfs/dbraw/zinc/91/94/95/588919495.db2.gz OQLBFIATZFIWSO-LBPRGKRZSA-N 1 2 244.294 1.493 20 0 BDADLO O=C1O[C@H](C[N@H+]2Cc3ccncc3C2)CC12CC2 ZINC000857879724 588919497 /nfs/dbraw/zinc/91/94/97/588919497.db2.gz OQLBFIATZFIWSO-LBPRGKRZSA-N 1 2 244.294 1.493 20 0 BDADLO CO[C@@H]1COCC[C@@H]1N(C)c1cc[nH+]cc1F ZINC000882937341 583660033 /nfs/dbraw/zinc/66/00/33/583660033.db2.gz NATNBXKKMGLBEK-NWDGAFQWSA-N 1 2 240.278 1.461 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857941843 588924350 /nfs/dbraw/zinc/92/43/50/588924350.db2.gz OFARKASKOMAEQA-YAEJEKNGSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1nc([C@H]2CCN(c3cc[nH+]c(C)n3)C2)no1 ZINC000895403405 583667168 /nfs/dbraw/zinc/66/71/68/583667168.db2.gz FIJVZJZGUIKTGW-JTQLQIEISA-N 1 2 245.286 1.470 20 0 BDADLO CCC/C=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884802 588920454 /nfs/dbraw/zinc/92/04/54/588920454.db2.gz LUTPWWTXXNWKAB-LWTINBJPSA-N 1 2 219.288 1.280 20 0 BDADLO CCN1CC[C@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000857882613 588920867 /nfs/dbraw/zinc/92/08/67/588920867.db2.gz VQBLAONFEPUKLC-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO CCN1CC[C@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000857882613 588920868 /nfs/dbraw/zinc/92/08/68/588920868.db2.gz VQBLAONFEPUKLC-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO C/C(=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000857884756 588920914 /nfs/dbraw/zinc/92/09/14/588920914.db2.gz KSJDHDPFCYAEMJ-UAWPZABVSA-N 1 2 247.342 1.916 20 0 BDADLO COC(=O)CC1CC(Nc2nc[nH+]c(C)c2C)C1 ZINC000895497822 583681502 /nfs/dbraw/zinc/68/15/02/583681502.db2.gz GQIWYKOBSIMIJM-UHFFFAOYSA-N 1 2 249.314 1.847 20 0 BDADLO CC1=C(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCO1 ZINC000857890419 588921256 /nfs/dbraw/zinc/92/12/56/588921256.db2.gz VEKRRCNQFVXDHD-SNVBAGLBSA-N 1 2 247.298 1.008 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887853 588921268 /nfs/dbraw/zinc/92/12/68/588921268.db2.gz VFDAFUBZHYULBG-KSXVILFYSA-N 1 2 219.288 1.280 20 0 BDADLO C/C(=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887601 588921323 /nfs/dbraw/zinc/92/13/23/588921323.db2.gz MZVZGHHKIZPVFT-VCFDLTMXSA-N 1 2 231.299 1.280 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000895540798 583687797 /nfs/dbraw/zinc/68/77/97/583687797.db2.gz JSFADHPZKUIJON-SDNRWEOFSA-N 1 2 243.314 1.820 20 0 BDADLO CCn1cc(C[NH2+]Cc2cnn(CC)n2)c(C)n1 ZINC000895560576 583691105 /nfs/dbraw/zinc/69/11/05/583691105.db2.gz LJRJFWNMSXNWIG-UHFFFAOYSA-N 1 2 248.334 1.113 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC(CC3CCOCC3)C2)n1 ZINC000895616500 583696474 /nfs/dbraw/zinc/69/64/74/583696474.db2.gz UPJVAQCMLXEGQV-UHFFFAOYSA-N 1 2 249.358 1.967 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)CC(C)(C)C)[C@@H](C)O ZINC000895743916 583715636 /nfs/dbraw/zinc/71/56/36/583715636.db2.gz QCMHGIIOUTWNDL-AEJSXWLSSA-N 1 2 231.336 1.323 20 0 BDADLO C[C@@H]1[C@H](Nc2nnc(C(F)F)o2)CC[N@@H+]1C ZINC000895737841 583718187 /nfs/dbraw/zinc/71/81/87/583718187.db2.gz ZFRQEQVYQDGSQF-PHDIDXHHSA-N 1 2 232.234 1.512 20 0 BDADLO C[C@@H]1[C@H](Nc2nnc(C(F)F)o2)CC[N@H+]1C ZINC000895737841 583718188 /nfs/dbraw/zinc/71/81/88/583718188.db2.gz ZFRQEQVYQDGSQF-PHDIDXHHSA-N 1 2 232.234 1.512 20 0 BDADLO Cc1nc(N2CCO[C@@H](C)CC2)cc[nH+]1 ZINC000895758379 583721063 /nfs/dbraw/zinc/72/10/63/583721063.db2.gz QPDBKNFQUCDWJQ-VIFPVBQESA-N 1 2 207.277 1.400 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCC(C)(C)F)c1 ZINC000895775902 583725909 /nfs/dbraw/zinc/72/59/09/583725909.db2.gz FUGQLFKISPRYRG-UHFFFAOYSA-N 1 2 242.298 1.358 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857946945 588924870 /nfs/dbraw/zinc/92/48/70/588924870.db2.gz IUHRBZBBRSSGLM-GXSJLCMTSA-N 1 2 239.294 1.308 20 0 BDADLO CSC(C)(C)CC[NH2+][C@H]1CCOC1=O ZINC000895806940 583731953 /nfs/dbraw/zinc/73/19/53/583731953.db2.gz FVWGFOFQWNMRQV-QMMMGPOBSA-N 1 2 217.334 1.423 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000895800348 583731003 /nfs/dbraw/zinc/73/10/03/583731003.db2.gz ASKUBGFQCBMHMW-LBPRGKRZSA-N 1 2 230.267 1.573 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000895804880 583731902 /nfs/dbraw/zinc/73/19/02/583731902.db2.gz NCOCWJAJJHDYMI-DCAQKATOSA-N 1 2 239.315 1.239 20 0 BDADLO O=C(/C=C\C1CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963224 588925857 /nfs/dbraw/zinc/92/58/57/588925857.db2.gz RDAXIKDQKIAULF-DLRQAJBASA-N 1 2 231.299 1.280 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000895905062 583742876 /nfs/dbraw/zinc/74/28/76/583742876.db2.gz HOXJKKHDXNJZKK-PSASIEDQSA-N 1 2 219.288 1.801 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976590 588926146 /nfs/dbraw/zinc/92/61/46/588926146.db2.gz HKOPXJGFRXYSPV-ONGXEEELSA-N 1 2 237.303 1.259 20 0 BDADLO CCC(=O)C1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857976328 588926212 /nfs/dbraw/zinc/92/62/12/588926212.db2.gz BHQHMLXBOYTMCF-VIFPVBQESA-N 1 2 247.298 1.203 20 0 BDADLO O=C(CCCF)N[C@H]1CCn2c[nH+]cc21 ZINC000857976053 588926279 /nfs/dbraw/zinc/92/62/79/588926279.db2.gz WMDYBNHTNWZQOH-QMMMGPOBSA-N 1 2 211.240 1.194 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C(F)=C1CCC1 ZINC000857976391 588926367 /nfs/dbraw/zinc/92/63/67/588926367.db2.gz CUZSUIAQFDYUQM-SECBINFHSA-N 1 2 235.262 1.852 20 0 BDADLO CO[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857974683 588926413 /nfs/dbraw/zinc/92/64/13/588926413.db2.gz ISDJBDIJYPEBSE-JQWIXIFHSA-N 1 2 249.314 1.259 20 0 BDADLO Cc1ccc(C[NH+]2CC(OC(C)C)C2)cn1 ZINC000895955631 583752643 /nfs/dbraw/zinc/75/26/43/583752643.db2.gz URNUHOSKCPECLC-UHFFFAOYSA-N 1 2 220.316 1.999 20 0 BDADLO CO[C@H]1C[N@@H+]([C@H](C)Cc2ccsc2)CCO1 ZINC000895968914 583754946 /nfs/dbraw/zinc/75/49/46/583754946.db2.gz UZCZPWAEGMBBNX-ZYHUDNBSSA-N 1 2 241.356 1.984 20 0 BDADLO CO[C@H]1C[N@H+]([C@H](C)Cc2ccsc2)CCO1 ZINC000895968914 583754948 /nfs/dbraw/zinc/75/49/48/583754948.db2.gz UZCZPWAEGMBBNX-ZYHUDNBSSA-N 1 2 241.356 1.984 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977791 588926743 /nfs/dbraw/zinc/92/67/43/588926743.db2.gz HGQXWHJUMVHAAB-MWLCHTKSSA-N 1 2 237.303 1.259 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)ns1 ZINC000857978069 588926761 /nfs/dbraw/zinc/92/67/61/588926761.db2.gz BTEUBWGHTNSFIM-QMMMGPOBSA-N 1 2 248.311 1.523 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)O1 ZINC000857978151 588926781 /nfs/dbraw/zinc/92/67/81/588926781.db2.gz LHNGGVMDOYPOMB-WYFGTUCQSA-N 1 2 249.314 1.258 20 0 BDADLO COCC1C[NH+](Cc2csc(C)n2)C1 ZINC000895971700 583756459 /nfs/dbraw/zinc/75/64/59/583756459.db2.gz OPDNQOZSBHGORS-UHFFFAOYSA-N 1 2 212.318 1.530 20 0 BDADLO CC1(C)CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)O1 ZINC000857978323 588926898 /nfs/dbraw/zinc/92/68/98/588926898.db2.gz FFAGIDVMSKENGZ-GXSJLCMTSA-N 1 2 249.314 1.402 20 0 BDADLO COCC1C[NH+](Cc2cc(OC)cnc2F)C1 ZINC000895974756 583756855 /nfs/dbraw/zinc/75/68/55/583756855.db2.gz KKSFNJJTGMLREG-UHFFFAOYSA-N 1 2 240.278 1.308 20 0 BDADLO Cc1occc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895982481 583758105 /nfs/dbraw/zinc/75/81/05/583758105.db2.gz ARHHVJYNESXFOZ-JTQLQIEISA-N 1 2 243.328 1.253 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccc(F)n1 ZINC000857980787 588927288 /nfs/dbraw/zinc/92/72/88/588927288.db2.gz PWFRWROYTKPNKU-MRVPVSSYSA-N 1 2 246.245 1.292 20 0 BDADLO CC(F)(F)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978966 588927652 /nfs/dbraw/zinc/92/76/52/588927652.db2.gz MIPWNWYPLAQEFX-ZETCQYMHSA-N 1 2 229.230 1.489 20 0 BDADLO Cc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc32)o1 ZINC000857981733 588927816 /nfs/dbraw/zinc/92/78/16/588927816.db2.gz BBQBSGWMTGRJOX-NSHDSACASA-N 1 2 245.282 1.588 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)nc1 ZINC000857981296 588927920 /nfs/dbraw/zinc/92/79/20/588927920.db2.gz ZCWWLMJUHMGKNO-SNVBAGLBSA-N 1 2 242.282 1.461 20 0 BDADLO O=C(Cc1ccoc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981407 588928001 /nfs/dbraw/zinc/92/80/01/588928001.db2.gz CZPAVCUNOOPHDI-SNVBAGLBSA-N 1 2 231.255 1.280 20 0 BDADLO Cc1nc(NCCC2CC=CC2)nc(N)[nH+]1 ZINC000896094819 583771405 /nfs/dbraw/zinc/77/14/05/583771405.db2.gz UMRWSXPGDNGAJE-UHFFFAOYSA-N 1 2 219.292 1.530 20 0 BDADLO Cc1nc(N)nc(NCCC2CC=CC2)[nH+]1 ZINC000896094819 583771410 /nfs/dbraw/zinc/77/14/10/583771410.db2.gz UMRWSXPGDNGAJE-UHFFFAOYSA-N 1 2 219.292 1.530 20 0 BDADLO O=C(CC[C@H]1CCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857984269 588928511 /nfs/dbraw/zinc/92/85/11/588928511.db2.gz APDFVPJOWSMAEX-MNOVXSKESA-N 1 2 249.314 1.403 20 0 BDADLO CCC[N@H+](CC)CN1c2ccccc2C(=O)C1=O ZINC000727820600 583778003 /nfs/dbraw/zinc/77/80/03/583778003.db2.gz AMONHISIUJONKZ-UHFFFAOYSA-N 1 2 246.310 1.905 20 0 BDADLO CCC[N@@H+](CC)CN1c2ccccc2C(=O)C1=O ZINC000727820600 583778004 /nfs/dbraw/zinc/77/80/04/583778004.db2.gz AMONHISIUJONKZ-UHFFFAOYSA-N 1 2 246.310 1.905 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCSC1 ZINC000857983757 588928642 /nfs/dbraw/zinc/92/86/42/588928642.db2.gz UKIKLTBBBVRGPX-BDAKNGLRSA-N 1 2 237.328 1.197 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1CC=CC1 ZINC000857984716 588928944 /nfs/dbraw/zinc/92/89/44/588928944.db2.gz CXPQMHWWFJHOHS-JTQLQIEISA-N 1 2 217.272 1.410 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccco1 ZINC000857985799 588929157 /nfs/dbraw/zinc/92/91/57/588929157.db2.gz JZLWWXLLTDJHOU-UWVGGRQHSA-N 1 2 245.282 1.841 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc[nH]1 ZINC000857988111 588929423 /nfs/dbraw/zinc/92/94/23/588929423.db2.gz GLXXHKAGCUDWKP-QMMMGPOBSA-N 1 2 216.244 1.086 20 0 BDADLO O=C(COC1CCCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987155 588929473 /nfs/dbraw/zinc/92/94/73/588929473.db2.gz VKVHYIJHHCXPNF-LLVKDONJSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCOC2(CCC2)C1 ZINC000896305450 583789825 /nfs/dbraw/zinc/78/98/25/583789825.db2.gz QPEIZGKHSUFFFJ-JTQLQIEISA-N 1 2 249.314 1.375 20 0 BDADLO CCO[C@H](C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995810 588929636 /nfs/dbraw/zinc/92/96/36/588929636.db2.gz HVGOCYZVXLFTBJ-SNVBAGLBSA-N 1 2 249.314 1.574 20 0 BDADLO CC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989838 588929696 /nfs/dbraw/zinc/92/96/96/588929696.db2.gz PZWDCWFKJDMPAK-MRVPVSSYSA-N 1 2 207.277 1.490 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)o1 ZINC000857990608 588929802 /nfs/dbraw/zinc/92/98/02/588929802.db2.gz QAKBUGCBUNYNFL-SECBINFHSA-N 1 2 231.255 1.659 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989839 588930203 /nfs/dbraw/zinc/93/02/03/588930203.db2.gz PZWDCWFKJDMPAK-QMMMGPOBSA-N 1 2 207.277 1.490 20 0 BDADLO CCO[C@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000896405382 583799859 /nfs/dbraw/zinc/79/98/59/583799859.db2.gz VUCRLZFHCNINOF-JTQLQIEISA-N 1 2 222.288 1.705 20 0 BDADLO CCO[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000896406886 583800768 /nfs/dbraw/zinc/80/07/68/583800768.db2.gz LCOYQQZKOBZDTI-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO COC/C=C/C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858000370 588930465 /nfs/dbraw/zinc/93/04/65/588930465.db2.gz GNTIBSSAPHEGMI-ONEGZZNKSA-N 1 2 247.298 1.351 20 0 BDADLO COC/C=C\C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858000369 588930504 /nfs/dbraw/zinc/93/05/04/588930504.db2.gz GNTIBSSAPHEGMI-ARJAWSKDSA-N 1 2 247.298 1.351 20 0 BDADLO CCOCCOCCNc1cc[nH+]c(CC)n1 ZINC000896479454 583805635 /nfs/dbraw/zinc/80/56/35/583805635.db2.gz DRCMPQXDGRLGDC-UHFFFAOYSA-N 1 2 239.319 1.504 20 0 BDADLO Cc1nc(NCCO[C@H]2CCOC2)cc[nH+]1 ZINC000896481080 583805663 /nfs/dbraw/zinc/80/56/63/583805663.db2.gz XIVIOKAKJWLXNW-JTQLQIEISA-N 1 2 223.276 1.002 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cnc(Cl)n2C)CCO1 ZINC000896577796 583814151 /nfs/dbraw/zinc/81/41/51/583814151.db2.gz PCAPPDDAZJRCSH-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cnc(Cl)n2C)CCO1 ZINC000896577796 583814153 /nfs/dbraw/zinc/81/41/53/583814153.db2.gz PCAPPDDAZJRCSH-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCO[C@H](C)CC2)n1 ZINC000896578686 583814739 /nfs/dbraw/zinc/81/47/39/583814739.db2.gz VBJHHEFQKXZONB-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCO[C@H](C)CC2)n1 ZINC000896578686 583814740 /nfs/dbraw/zinc/81/47/40/583814740.db2.gz VBJHHEFQKXZONB-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(F)nc2)n1 ZINC000858205789 588938477 /nfs/dbraw/zinc/93/84/77/588938477.db2.gz BYHHZKHIAQJVEC-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ncccn1)C2 ZINC000896654752 583821471 /nfs/dbraw/zinc/82/14/71/583821471.db2.gz RRRAWBOGQHOCSE-UHFFFAOYSA-N 1 2 229.287 1.256 20 0 BDADLO Cc1nocc1Cc1noc([C@H](C)[NH+](C)C)n1 ZINC000896747133 583830096 /nfs/dbraw/zinc/83/00/96/583830096.db2.gz ZUAKWDSBVXEOTE-QMMMGPOBSA-N 1 2 236.275 1.579 20 0 BDADLO CCO[C@@H](C(=O)NC1=[NH+]CCS1)C(C)C ZINC000858170048 588936828 /nfs/dbraw/zinc/93/68/28/588936828.db2.gz BEBICKNSCPNEQO-MRVPVSSYSA-N 1 2 230.333 1.267 20 0 BDADLO Cc1[nH]c(CNC(=O)CCC(F)F)[nH+]c1C ZINC000896911015 583852915 /nfs/dbraw/zinc/85/29/15/583852915.db2.gz XXEWUPMJQCKILB-UHFFFAOYSA-N 1 2 231.246 1.688 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccn(C)n1 ZINC000858177059 588937185 /nfs/dbraw/zinc/93/71/85/588937185.db2.gz GXYJRHXEQVCGLS-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H](C)n2cccn2)[nH+]c1C ZINC000896921828 583857228 /nfs/dbraw/zinc/85/72/28/583857228.db2.gz GHSOZGBXJKTEPI-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO CSC[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919895 583857439 /nfs/dbraw/zinc/85/74/39/583857439.db2.gz DNMVFBCZAWLLPF-SSDOTTSWSA-N 1 2 241.360 1.642 20 0 BDADLO Cc1[nH]c(CNC(=O)COC(C)C)[nH+]c1C ZINC000896920399 583857516 /nfs/dbraw/zinc/85/75/16/583857516.db2.gz DKMADDVOEXFIRB-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO CSC[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919896 583857784 /nfs/dbraw/zinc/85/77/84/583857784.db2.gz DNMVFBCZAWLLPF-ZETCQYMHSA-N 1 2 241.360 1.642 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1csnn1 ZINC000858177308 588937355 /nfs/dbraw/zinc/93/73/55/588937355.db2.gz AJTBOLPCYXYVNV-SSDOTTSWSA-N 1 2 238.291 1.923 20 0 BDADLO CCC(CC)(CC)C[NH2+]CC(=O)NOC ZINC000896927015 583858919 /nfs/dbraw/zinc/85/89/19/583858919.db2.gz NZIJXCVYEFNAKQ-UHFFFAOYSA-N 1 2 216.325 1.470 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccoc2C)[nH+]c1C ZINC000896927548 583859112 /nfs/dbraw/zinc/85/91/12/583859112.db2.gz JTLBDNSDJYXJFL-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO CONC(=O)C[NH2+]CCC1CCCCCC1 ZINC000896926344 583859133 /nfs/dbraw/zinc/85/91/33/583859133.db2.gz IEGAPYLFIBRXBA-UHFFFAOYSA-N 1 2 228.336 1.614 20 0 BDADLO CCC1(C)CCC([NH2+]CC(=O)NOC)CC1 ZINC000896928265 583859545 /nfs/dbraw/zinc/85/95/45/583859545.db2.gz YUSMXYHIIDFRFY-UHFFFAOYSA-N 1 2 228.336 1.613 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000896927311 583859657 /nfs/dbraw/zinc/85/96/57/583859657.db2.gz PORUKJFJAOBDTP-WDEREUQCSA-N 1 2 226.320 1.222 20 0 BDADLO CONC(=O)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000896926649 583860049 /nfs/dbraw/zinc/86/00/49/583860049.db2.gz JGNCAWKXLDFGEO-NSHDSACASA-N 1 2 236.315 1.447 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CC=CCC2)[nH+]c1C ZINC000896930130 583860812 /nfs/dbraw/zinc/86/08/12/583860812.db2.gz SZAKNALRLGXFLW-NSHDSACASA-N 1 2 233.315 1.999 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccnc(F)c2)n1 ZINC000858183213 588937674 /nfs/dbraw/zinc/93/76/74/588937674.db2.gz YDMVQXRMDVEQIB-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000896959253 583863610 /nfs/dbraw/zinc/86/36/10/583863610.db2.gz VRWNUYOYYKDWJX-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000896959253 583863611 /nfs/dbraw/zinc/86/36/11/583863611.db2.gz VRWNUYOYYKDWJX-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO c1cn(-c2cc(SC3COC3)ncn2)c[nH+]1 ZINC000896959845 583863696 /nfs/dbraw/zinc/86/36/96/583863696.db2.gz DZRDJSAXDZJIEE-UHFFFAOYSA-N 1 2 234.284 1.153 20 0 BDADLO OC[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000896961897 583864864 /nfs/dbraw/zinc/86/48/64/583864864.db2.gz LKPYVEVKMBHDKO-QWRGUYRKSA-N 1 2 233.315 1.927 20 0 BDADLO COCC1(c2noc(Cc3c[nH+]cn3C)n2)CC1 ZINC000897048321 583873498 /nfs/dbraw/zinc/87/34/98/583873498.db2.gz HZRLNKSEFZGSPF-UHFFFAOYSA-N 1 2 248.286 1.072 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)[C@H]1CC[C@H]1OC ZINC000897141983 583883851 /nfs/dbraw/zinc/88/38/51/583883851.db2.gz DWGUODCCWQMFNI-VHSXEESVSA-N 1 2 237.303 1.407 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1cc[nH+]c(C)n1 ZINC000897147298 583886148 /nfs/dbraw/zinc/88/61/48/583886148.db2.gz JUSZLAWPGNRNFP-UWVGGRQHSA-N 1 2 207.277 1.399 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897177173 583890144 /nfs/dbraw/zinc/89/01/44/583890144.db2.gz KQJWLRMVIKEQFY-HRDYMLBCSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897177173 583890145 /nfs/dbraw/zinc/89/01/45/583890145.db2.gz KQJWLRMVIKEQFY-HRDYMLBCSA-N 1 2 234.303 1.668 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)nc(N)[nH+]1 ZINC000897177904 583890467 /nfs/dbraw/zinc/89/04/67/583890467.db2.gz XFWBPSNXFYJLQF-DJLDLDEBSA-N 1 2 219.292 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)[nH+]1 ZINC000897177904 583890469 /nfs/dbraw/zinc/89/04/69/583890469.db2.gz XFWBPSNXFYJLQF-DJLDLDEBSA-N 1 2 219.292 1.363 20 0 BDADLO FCCCCc1noc(CCn2cc[nH+]c2)n1 ZINC000897211167 583894018 /nfs/dbraw/zinc/89/40/18/583894018.db2.gz NQEWPBDKLAWEJV-UHFFFAOYSA-N 1 2 238.266 1.801 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccc[nH]c1=S ZINC000728610624 583899630 /nfs/dbraw/zinc/89/96/30/583899630.db2.gz JNAYSSWIVZSOHL-UHFFFAOYSA-N 1 2 248.311 1.034 20 0 BDADLO Cc1nc(NCc2ccc(CCO)cc2)cc[nH+]1 ZINC000897357420 583936227 /nfs/dbraw/zinc/93/62/27/583936227.db2.gz NMCVHQATZRRWLS-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO Cn1nnnc1C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000728926792 583937294 /nfs/dbraw/zinc/93/72/94/583937294.db2.gz UZPYBAKHXULSPK-UHFFFAOYSA-N 1 2 249.293 1.374 20 0 BDADLO c1ncc(C[NH2+]Cc2cnn(CC3CCC3)c2)[nH]1 ZINC000897429369 583973134 /nfs/dbraw/zinc/97/31/34/583973134.db2.gz FUNMTBLEDGGALE-UHFFFAOYSA-N 1 2 245.330 1.696 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1COC[C@H]1C1CC1 ZINC000897449742 583987636 /nfs/dbraw/zinc/98/76/36/583987636.db2.gz DFVOIGFVSFFIIJ-JOYOIKCWSA-N 1 2 222.263 1.480 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1COC[C@@H]1C1CC1 ZINC000897449743 583987764 /nfs/dbraw/zinc/98/77/64/583987764.db2.gz DFVOIGFVSFFIIJ-SKDRFNHKSA-N 1 2 222.263 1.480 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C\Cl)nc[nH+]1 ZINC000897504836 583998491 /nfs/dbraw/zinc/99/84/91/583998491.db2.gz FTHNZBKVFTTZIR-YAJNLLPGSA-N 1 2 242.710 1.434 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C\Cl)[nH+]cn1 ZINC000897504836 583998492 /nfs/dbraw/zinc/99/84/92/583998492.db2.gz FTHNZBKVFTTZIR-YAJNLLPGSA-N 1 2 242.710 1.434 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889592882 584010378 /nfs/dbraw/zinc/01/03/78/584010378.db2.gz LOXQDWOZRYPSLS-OUAUKWLOSA-N 1 2 219.288 1.188 20 0 BDADLO c1cnn(CCCCCn2cc[nH+]c2)c1 ZINC000729469889 584015146 /nfs/dbraw/zinc/01/51/46/584015146.db2.gz JNPJHIJJQWNMLC-UHFFFAOYSA-N 1 2 204.277 1.950 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000897594569 584024054 /nfs/dbraw/zinc/02/40/54/584024054.db2.gz SKWSSCVXIIDHIH-ZSBIGDGJSA-N 1 2 247.342 1.841 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@@H]2CCO)[nH+]c1 ZINC000865689767 584026681 /nfs/dbraw/zinc/02/66/81/584026681.db2.gz OIXBUJLVFSXUBC-ZYHUDNBSSA-N 1 2 236.315 1.486 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2[C@H](C)C[C@@H]2C)c[nH+]1 ZINC000897614139 584031336 /nfs/dbraw/zinc/03/13/36/584031336.db2.gz VENJGMKCKSINKW-PHIMTYICSA-N 1 2 235.331 1.936 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000897678806 584035885 /nfs/dbraw/zinc/03/58/85/584035885.db2.gz FKHJYVLXAKXVLL-GMSGAONNSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000897678806 584035886 /nfs/dbraw/zinc/03/58/86/584035886.db2.gz FKHJYVLXAKXVLL-GMSGAONNSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1O ZINC000897680637 584038531 /nfs/dbraw/zinc/03/85/31/584038531.db2.gz LAUDAIYCSAHZEF-MADCSZMMSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1O ZINC000897680637 584038533 /nfs/dbraw/zinc/03/85/33/584038533.db2.gz LAUDAIYCSAHZEF-MADCSZMMSA-N 1 2 245.244 1.917 20 0 BDADLO CCc1cc(CNc2[nH+]cccc2OC)[nH]n1 ZINC000858408787 588952071 /nfs/dbraw/zinc/95/20/71/588952071.db2.gz XDHHYQXBDJEAKC-UHFFFAOYSA-N 1 2 232.287 1.988 20 0 BDADLO CCc1cc(CNc2[nH+]cccc2OC)n[nH]1 ZINC000858408787 588952072 /nfs/dbraw/zinc/95/20/72/588952072.db2.gz XDHHYQXBDJEAKC-UHFFFAOYSA-N 1 2 232.287 1.988 20 0 BDADLO Cc1noc(C)c1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897789522 584047978 /nfs/dbraw/zinc/04/79/78/584047978.db2.gz JJFFTFGUWXTBTK-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2ccco2)C1 ZINC000897790083 584048590 /nfs/dbraw/zinc/04/85/90/584048590.db2.gz MZXCPTMECKAQKL-UHFFFAOYSA-N 1 2 220.272 1.086 20 0 BDADLO CCC[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OC ZINC000897834048 584052629 /nfs/dbraw/zinc/05/26/29/584052629.db2.gz FIFQOANLGRYZKF-SNVBAGLBSA-N 1 2 239.319 1.458 20 0 BDADLO CCc1nc(C[NH2+][C@@]2(C)CCNC2=O)cs1 ZINC000897871210 584055956 /nfs/dbraw/zinc/05/59/56/584055956.db2.gz JLVLFNNYNOCKHL-NSHDSACASA-N 1 2 239.344 1.074 20 0 BDADLO CCn1ncc(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000858444457 588955230 /nfs/dbraw/zinc/95/52/30/588955230.db2.gz MPVQEQHPZQJEOY-LLVKDONJSA-N 1 2 246.318 1.119 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(C2CC2)CC1 ZINC000898099641 584085759 /nfs/dbraw/zinc/08/57/59/584085759.db2.gz XYXMFEADAFSJRL-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(C)n1 ZINC000898184353 584093555 /nfs/dbraw/zinc/09/35/55/584093555.db2.gz SRVKBHGBHRXBQX-VXGBXAGGSA-N 1 2 241.310 1.116 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(C)n1 ZINC000898184353 584093558 /nfs/dbraw/zinc/09/35/58/584093558.db2.gz SRVKBHGBHRXBQX-VXGBXAGGSA-N 1 2 241.310 1.116 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1F ZINC000898187528 584094163 /nfs/dbraw/zinc/09/41/63/584094163.db2.gz GKVWSHPHQLEVPB-PWSUYJOCSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1F ZINC000898187528 584094164 /nfs/dbraw/zinc/09/41/64/584094164.db2.gz GKVWSHPHQLEVPB-PWSUYJOCSA-N 1 2 243.253 1.436 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)n1 ZINC000898192210 584095406 /nfs/dbraw/zinc/09/54/06/584095406.db2.gz GWEYUEILIXURCN-ONGXEEELSA-N 1 2 240.278 1.000 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898195297 584097006 /nfs/dbraw/zinc/09/70/06/584097006.db2.gz VXFCVAWFOJMGMP-MNOVXSKESA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898195297 584097007 /nfs/dbraw/zinc/09/70/07/584097007.db2.gz VXFCVAWFOJMGMP-MNOVXSKESA-N 1 2 213.252 1.493 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC=C(Cl)Cl ZINC000898307281 584109880 /nfs/dbraw/zinc/10/98/80/584109880.db2.gz VJCILFOJJWYSOI-UHFFFAOYSA-N 1 2 248.113 1.778 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC=C(Cl)Cl ZINC000898307281 584109882 /nfs/dbraw/zinc/10/98/82/584109882.db2.gz VJCILFOJJWYSOI-UHFFFAOYSA-N 1 2 248.113 1.778 20 0 BDADLO CC(C)[C@@H](C(=O)N=c1sccn1C)[NH+](C)C ZINC000730090057 584122547 /nfs/dbraw/zinc/12/25/47/584122547.db2.gz XFQKHOOAWYRQPE-VIFPVBQESA-N 1 2 241.360 1.100 20 0 BDADLO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cn[nH]c2C)C1 ZINC000858473119 588958565 /nfs/dbraw/zinc/95/85/65/588958565.db2.gz NHOZMSMQIFDJFY-LDYMZIIASA-N 1 2 249.314 1.631 20 0 BDADLO CCn1nc(C)c(C[NH2+]C/C=C\Cl)n1 ZINC000898430048 584134610 /nfs/dbraw/zinc/13/46/10/584134610.db2.gz TXFXJQBIKFRZCR-PLNGDYQASA-N 1 2 214.700 1.449 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccco1 ZINC000898483847 584139195 /nfs/dbraw/zinc/13/91/95/584139195.db2.gz NYMRNHFYPUXSSU-JTQLQIEISA-N 1 2 240.278 1.443 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccco1 ZINC000898483847 584139196 /nfs/dbraw/zinc/13/91/96/584139196.db2.gz NYMRNHFYPUXSSU-JTQLQIEISA-N 1 2 240.278 1.443 20 0 BDADLO CC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898495188 584140325 /nfs/dbraw/zinc/14/03/25/584140325.db2.gz JQTFOQZQKFZCDR-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO CC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898495188 584140326 /nfs/dbraw/zinc/14/03/26/584140326.db2.gz JQTFOQZQKFZCDR-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO CC(C)(CNC(=O)C1=CCCCO1)n1cc[nH+]c1 ZINC000898904371 584164926 /nfs/dbraw/zinc/16/49/26/584164926.db2.gz VKBFXWWTVXKXQI-UHFFFAOYSA-N 1 2 249.314 1.429 20 0 BDADLO CCOCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898902894 584165059 /nfs/dbraw/zinc/16/50/59/584165059.db2.gz UYGADEKNJWXXGL-UHFFFAOYSA-N 1 2 239.319 1.161 20 0 BDADLO Cc1ocnc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901052 584165418 /nfs/dbraw/zinc/16/54/18/584165418.db2.gz CLZJZWLYIBJLRB-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO CCO[C@H](C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899006 584165522 /nfs/dbraw/zinc/16/55/22/584165522.db2.gz BCUCTBKAPZQKML-SNVBAGLBSA-N 1 2 239.319 1.159 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(F)CC1 ZINC000899204880 584181775 /nfs/dbraw/zinc/18/17/75/584181775.db2.gz IDLFXRDIMFGHRN-NXEZZACHSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(F)CC1 ZINC000899204880 584181777 /nfs/dbraw/zinc/18/17/77/584181777.db2.gz IDLFXRDIMFGHRN-NXEZZACHSA-N 1 2 237.278 1.474 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000899408237 584213085 /nfs/dbraw/zinc/21/30/85/584213085.db2.gz YHIXSCOLYAHFHC-RSLMWUCJSA-N 1 2 247.342 1.371 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c[nH+]1 ZINC000899416719 584214765 /nfs/dbraw/zinc/21/47/65/584214765.db2.gz RRKHRBBEGXNOKF-ASXGKARISA-N 1 2 233.315 1.740 20 0 BDADLO CCn1cc(C[NH+](C2CC2)C2CC2)nn1 ZINC000899884744 584246654 /nfs/dbraw/zinc/24/66/54/584246654.db2.gz SSLAQCCJHVOMML-UHFFFAOYSA-N 1 2 206.293 1.425 20 0 BDADLO C[C@@H]1Cc2cc([NH2+]CCC(N)=O)ccc2O1 ZINC000899896864 584247997 /nfs/dbraw/zinc/24/79/97/584247997.db2.gz QLROFQKQAUVPCI-MRVPVSSYSA-N 1 2 220.272 1.297 20 0 BDADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000858580409 588968881 /nfs/dbraw/zinc/96/88/81/588968881.db2.gz ZSFWRFXCNWLPHX-SFYZADRCSA-N 1 2 243.332 1.202 20 0 BDADLO CC(C)OC1C[NH+](C[C@H](O)c2ccccc2)C1 ZINC000899901510 584250372 /nfs/dbraw/zinc/25/03/72/584250372.db2.gz NSRPPRBAPNRVNR-AWEZNQCLSA-N 1 2 235.327 1.829 20 0 BDADLO Cc1noc([C@H]2[NH2+]CCOc3ccccc32)n1 ZINC000899993498 584263201 /nfs/dbraw/zinc/26/32/01/584263201.db2.gz JNDRQUMEZVCXLY-NSHDSACASA-N 1 2 231.255 1.449 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCCCC1 ZINC000900052470 584268375 /nfs/dbraw/zinc/26/83/75/584268375.db2.gz HQTGNEYPQFXLDK-UHFFFAOYSA-N 1 2 221.304 1.745 20 0 BDADLO C[C@H](N(C)C(=O)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000900119659 584274893 /nfs/dbraw/zinc/27/48/93/584274893.db2.gz QLJTVLIUUHQTER-VIFPVBQESA-N 1 2 223.320 1.845 20 0 BDADLO C[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900121893 584275401 /nfs/dbraw/zinc/27/54/01/584275401.db2.gz CJMFKAJRZZGNIK-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900121893 584275405 /nfs/dbraw/zinc/27/54/05/584275405.db2.gz CJMFKAJRZZGNIK-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900121891 584275468 /nfs/dbraw/zinc/27/54/68/584275468.db2.gz CJMFKAJRZZGNIK-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900121891 584275471 /nfs/dbraw/zinc/27/54/71/584275471.db2.gz CJMFKAJRZZGNIK-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO COCCN(CC(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900144615 584277479 /nfs/dbraw/zinc/27/74/79/584277479.db2.gz IIPXBPHEFCNQDI-UHFFFAOYSA-N 1 2 239.319 1.083 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900166805 584281951 /nfs/dbraw/zinc/28/19/51/584281951.db2.gz LOHPPWHRDPINQX-SECBINFHSA-N 1 2 233.271 1.293 20 0 BDADLO C[C@H](Cc1ccco1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900166805 584281953 /nfs/dbraw/zinc/28/19/53/584281953.db2.gz LOHPPWHRDPINQX-SECBINFHSA-N 1 2 233.271 1.293 20 0 BDADLO C[C@H](c1ccccn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900413799 584305820 /nfs/dbraw/zinc/30/58/20/584305820.db2.gz ZSARIXKLQJQDOC-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO C/C=C/[C@@H](O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446447 584311524 /nfs/dbraw/zinc/31/15/24/584311524.db2.gz NLESZFOPMPNJJN-KXMPLOMGSA-N 1 2 249.314 1.053 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446449 584311755 /nfs/dbraw/zinc/31/17/55/584311755.db2.gz NLESZFOPMPNJJN-QUCGXOGASA-N 1 2 249.314 1.053 20 0 BDADLO CC[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900537381 584323254 /nfs/dbraw/zinc/32/32/54/584323254.db2.gz FWGOARUAPWVWIP-SNVBAGLBSA-N 1 2 207.277 1.353 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1cnc(C2CC2)nc1 ZINC000900557494 584328386 /nfs/dbraw/zinc/32/83/86/584328386.db2.gz QOALAYSRNRIJLL-UHFFFAOYSA-N 1 2 243.270 1.258 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnc(C2CC2)nc1 ZINC000900557494 584328389 /nfs/dbraw/zinc/32/83/89/584328389.db2.gz QOALAYSRNRIJLL-UHFFFAOYSA-N 1 2 243.270 1.258 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000900591809 584329325 /nfs/dbraw/zinc/32/93/25/584329325.db2.gz INKACHWTLJDWIB-GHMZBOCLSA-N 1 2 233.315 1.798 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC2(CC2)CC1 ZINC000900648295 584335226 /nfs/dbraw/zinc/33/52/26/584335226.db2.gz PSUBIYIXTLLBHC-UHFFFAOYSA-N 1 2 245.326 1.896 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900676678 584340421 /nfs/dbraw/zinc/34/04/21/584340421.db2.gz JFXTUNGGCUCORR-JTQLQIEISA-N 1 2 233.315 1.656 20 0 BDADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccsc1 ZINC000900742212 584348043 /nfs/dbraw/zinc/34/80/43/584348043.db2.gz NSJZJBUFOAPOOV-MWLCHTKSSA-N 1 2 240.328 1.142 20 0 BDADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccsc1 ZINC000900742212 584348044 /nfs/dbraw/zinc/34/80/44/584348044.db2.gz NSJZJBUFOAPOOV-MWLCHTKSSA-N 1 2 240.328 1.142 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2CCC[C@H]21 ZINC000900849468 584357587 /nfs/dbraw/zinc/35/75/87/584357587.db2.gz YUJLXBKGNXTYHO-ZYHUDNBSSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000900896828 584362389 /nfs/dbraw/zinc/36/23/89/584362389.db2.gz YGOVLWWJDJGXNN-RKDXNWHRSA-N 1 2 207.277 1.067 20 0 BDADLO C[C@H](Cc1ccncc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900968839 584369090 /nfs/dbraw/zinc/36/90/90/584369090.db2.gz YPFOCHGXNUIHLC-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO C[C@H](Cc1ccncc1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900968839 584369091 /nfs/dbraw/zinc/36/90/91/584369091.db2.gz YPFOCHGXNUIHLC-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C\[C@H]2CCCO2)[nH+]c1C ZINC000901001585 584373258 /nfs/dbraw/zinc/37/32/58/584373258.db2.gz XQEIYLJNOPKGLL-ISALQUGTSA-N 1 2 249.314 1.378 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@H]2CCCO2)[nH+]c1C ZINC000901001585 584373259 /nfs/dbraw/zinc/37/32/59/584373259.db2.gz XQEIYLJNOPKGLL-ISALQUGTSA-N 1 2 249.314 1.378 20 0 BDADLO CC[C@H](C)N(OC)C(=O)Cc1c[nH+]c[nH]1 ZINC000901116915 584386580 /nfs/dbraw/zinc/38/65/80/584386580.db2.gz JJHSNXAOTPMNAS-QMMMGPOBSA-N 1 2 211.265 1.141 20 0 BDADLO C/C=C\[C@@H](O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000901177224 584396250 /nfs/dbraw/zinc/39/62/50/584396250.db2.gz LIPXYGVGXYATND-ISALQUGTSA-N 1 2 249.314 1.332 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC=C(F)C1 ZINC000901308243 584420282 /nfs/dbraw/zinc/42/02/82/584420282.db2.gz ZIPCYQOQIMCNBH-UHFFFAOYSA-N 1 2 209.224 1.038 20 0 BDADLO Cc1ccncc1[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901306862 584420419 /nfs/dbraw/zinc/42/04/19/584420419.db2.gz ZPZYIUMOQHENDZ-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1ccncc1[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901306860 584420429 /nfs/dbraw/zinc/42/04/29/584420429.db2.gz ZPZYIUMOQHENDZ-JTQLQIEISA-N 1 2 244.298 1.533 20 0 BDADLO Cc1cc(CCC[NH+]2CCOCC2)on1 ZINC000901391615 584437309 /nfs/dbraw/zinc/43/73/09/584437309.db2.gz DXDZDCXEMFRGTA-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO C[C@@H]1Cc2cc([NH2+]CC3(CO)COC3)ccc2O1 ZINC000901448187 584447412 /nfs/dbraw/zinc/44/74/12/584447412.db2.gz OCGHZEJWNIPWKA-SNVBAGLBSA-N 1 2 249.310 1.431 20 0 BDADLO Cc1cccn2c(C[NH2+]C(C)(C)C(=O)[O-])c[nH+]c12 ZINC000901490188 584452415 /nfs/dbraw/zinc/45/24/15/584452415.db2.gz SVIZSHWBVLAWLG-UHFFFAOYSA-N 1 2 247.298 1.596 20 0 BDADLO CC[C@@H]([NH2+]C[C@@]1(C)CCCCO1)C(=O)OC ZINC000901605488 584468639 /nfs/dbraw/zinc/46/86/39/584468639.db2.gz AHDRFVIVBRWPSH-ZYHUDNBSSA-N 1 2 229.320 1.487 20 0 BDADLO C[N@@H+](Cc1ccccc1)CN1CCOC1=O ZINC000902026705 584513023 /nfs/dbraw/zinc/51/30/23/584513023.db2.gz OOAXOOXZVZANNR-UHFFFAOYSA-N 1 2 220.272 1.528 20 0 BDADLO C[N@H+](Cc1ccccc1)CN1CCOC1=O ZINC000902026705 584513025 /nfs/dbraw/zinc/51/30/25/584513025.db2.gz OOAXOOXZVZANNR-UHFFFAOYSA-N 1 2 220.272 1.528 20 0 BDADLO CCn1c[nH+]c(CNCc2nccs2)c1 ZINC000902075954 584519758 /nfs/dbraw/zinc/51/97/58/584519758.db2.gz DNKAZAGBIIOELG-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO O=C1OCCN1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000902058568 584521053 /nfs/dbraw/zinc/52/10/53/584521053.db2.gz PPTHXKWTXOMXMY-LBPRGKRZSA-N 1 2 232.283 1.843 20 0 BDADLO O=C1OCCN1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000902058568 584521055 /nfs/dbraw/zinc/52/10/55/584521055.db2.gz PPTHXKWTXOMXMY-LBPRGKRZSA-N 1 2 232.283 1.843 20 0 BDADLO CCn1cc(CNc2cc[nH+]cc2F)c(C)n1 ZINC000902067311 584523144 /nfs/dbraw/zinc/52/31/44/584523144.db2.gz WTUWFRHCNZZFIE-UHFFFAOYSA-N 1 2 234.278 1.780 20 0 BDADLO O=C1[C@@H]2C[C@@H]2CN1C[NH+]1Cc2ccccc2C1 ZINC000902118830 584528083 /nfs/dbraw/zinc/52/80/83/584528083.db2.gz BGKHLDOCZOEKQE-CHWSQXEVSA-N 1 2 228.295 1.438 20 0 BDADLO NC(=[NH+]OCC[C@H]1CCNC1=O)c1ccccc1 ZINC000902122432 584528434 /nfs/dbraw/zinc/52/84/34/584528434.db2.gz CULZFFGEHDECOL-LLVKDONJSA-N 1 2 247.298 1.059 20 0 BDADLO C[N@H+](CN1Cc2ccccc2C1=O)[C@H]1CCOC1 ZINC000902121814 584528585 /nfs/dbraw/zinc/52/85/85/584528585.db2.gz PSFQOSBHBAMJAE-LBPRGKRZSA-N 1 2 246.310 1.321 20 0 BDADLO C[N@@H+](CN1Cc2ccccc2C1=O)[C@H]1CCOC1 ZINC000902121814 584528586 /nfs/dbraw/zinc/52/85/86/584528586.db2.gz PSFQOSBHBAMJAE-LBPRGKRZSA-N 1 2 246.310 1.321 20 0 BDADLO Cc1nc(NCc2cnc(N(C)C)nc2)cc[nH+]1 ZINC000902124784 584529264 /nfs/dbraw/zinc/52/92/64/584529264.db2.gz LBPYEXYVTUDITQ-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO Cc1ccc(CN2C(=O)NC[C@H](C)C2=O)c(C)[nH+]1 ZINC000902154109 584531574 /nfs/dbraw/zinc/53/15/74/584531574.db2.gz FGHDBUTXSVCFPS-QMMMGPOBSA-N 1 2 247.298 1.386 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCOC2=O)C[C@@H]1F ZINC000902213010 584535966 /nfs/dbraw/zinc/53/59/66/584535966.db2.gz KUWHNMSPMZBZLL-IUCAKERBSA-N 1 2 216.256 1.076 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCOC2=O)C[C@@H]1F ZINC000902213010 584535968 /nfs/dbraw/zinc/53/59/68/584535968.db2.gz KUWHNMSPMZBZLL-IUCAKERBSA-N 1 2 216.256 1.076 20 0 BDADLO CCn1c[nH+]cc1CNc1cnc(C)cn1 ZINC000902210410 584539058 /nfs/dbraw/zinc/53/90/58/584539058.db2.gz IQDHEGLBHKWEAG-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1CN1CCOC1=O ZINC000902303769 584554360 /nfs/dbraw/zinc/55/43/60/584554360.db2.gz ZQOVFYDCCMMAPS-JTQLQIEISA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1CN1CCOC1=O ZINC000902303769 584554361 /nfs/dbraw/zinc/55/43/61/584554361.db2.gz ZQOVFYDCCMMAPS-JTQLQIEISA-N 1 2 242.319 1.286 20 0 BDADLO Nc1ccc(CO[C@H]2CCCc3c[nH]nc32)c[nH+]1 ZINC000902355498 584569416 /nfs/dbraw/zinc/56/94/16/584569416.db2.gz ILXMVYYYIPRSSZ-NSHDSACASA-N 1 2 244.298 1.981 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCCO1 ZINC000902383532 584577606 /nfs/dbraw/zinc/57/76/06/584577606.db2.gz UDDTWOAWODLHSP-USZNOCQGSA-N 1 2 236.315 1.876 20 0 BDADLO CN(C)c1ccc(COc2ccnnc2)c[nH+]1 ZINC000902426892 584594415 /nfs/dbraw/zinc/59/44/15/584594415.db2.gz DNNJOONXWYTIEX-UHFFFAOYSA-N 1 2 230.271 1.517 20 0 BDADLO Cc1cnc(=O)n(Cc2ccc(N(C)C)[nH+]c2)c1 ZINC000902413735 584599930 /nfs/dbraw/zinc/59/99/30/584599930.db2.gz MCJIQYCTCVYGOQ-UHFFFAOYSA-N 1 2 244.298 1.061 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1csc(N)n1 ZINC000902497980 584619561 /nfs/dbraw/zinc/61/95/61/584619561.db2.gz CHXVNLKYOWDCJN-MRVPVSSYSA-N 1 2 249.343 1.675 20 0 BDADLO COc1cc[nH+]cc1Cn1c(C)cc(C)nc1=O ZINC000902510095 584622318 /nfs/dbraw/zinc/62/23/18/584622318.db2.gz OIXHWCKAQNJZDI-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO CNc1ccccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000902525247 584632249 /nfs/dbraw/zinc/63/22/49/584632249.db2.gz XDZSKGXICVAEIL-JTQLQIEISA-N 1 2 245.330 1.708 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccccc2NC)[nH]1 ZINC000902575475 584637126 /nfs/dbraw/zinc/63/71/26/584637126.db2.gz NILAQENEORSYAB-UHFFFAOYSA-N 1 2 245.330 1.699 20 0 BDADLO CCn1cnc(C[NH2+]Cc2snnc2C)c1 ZINC000902574629 584637473 /nfs/dbraw/zinc/63/74/73/584637473.db2.gz IJNDNKSNQLIYNU-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cn(CC)cn2)o1 ZINC000902586128 584639543 /nfs/dbraw/zinc/63/95/43/584639543.db2.gz UYVIZBGGUOCULU-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO CCc1ncc(CNCc2cn(CC)c[nH+]2)o1 ZINC000902586128 584639544 /nfs/dbraw/zinc/63/95/44/584639544.db2.gz UYVIZBGGUOCULU-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO CC(C)CCOC(=O)NCc1[nH+]ccn1C ZINC000859099202 589001661 /nfs/dbraw/zinc/00/16/61/589001661.db2.gz IHIUPILQMQYEHG-UHFFFAOYSA-N 1 2 225.292 1.692 20 0 BDADLO CCn1cnc(C[NH2+]Cc2conc2C)c1 ZINC000902629757 584646450 /nfs/dbraw/zinc/64/64/50/584646450.db2.gz XULDPUSYKDTSHW-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)CN1CCSC1=O ZINC000902640014 584648902 /nfs/dbraw/zinc/64/89/02/584648902.db2.gz SVFYOMXQWXJVBI-DTWKUNHWSA-N 1 2 230.333 1.222 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CN1CCSC1=O ZINC000902640014 584648904 /nfs/dbraw/zinc/64/89/04/584648904.db2.gz SVFYOMXQWXJVBI-DTWKUNHWSA-N 1 2 230.333 1.222 20 0 BDADLO CCc1ncn(Cc2cc(C)cc(C)[nH+]2)n1 ZINC000902743587 584664255 /nfs/dbraw/zinc/66/42/55/584664255.db2.gz PFKWOWIMCQCROJ-UHFFFAOYSA-N 1 2 216.288 1.901 20 0 BDADLO CCCNC(=O)COc1ccc2c(c1)[nH+]cn2C ZINC000902779781 584669883 /nfs/dbraw/zinc/66/98/83/584669883.db2.gz FJWXBVYQVNWEFX-UHFFFAOYSA-N 1 2 247.298 1.478 20 0 BDADLO C[C@@H](O)CCOc1ccc2c(c1)[nH+]cn2C ZINC000902781042 584670464 /nfs/dbraw/zinc/67/04/64/584670464.db2.gz CLUDHVKZOPQTES-SECBINFHSA-N 1 2 220.272 1.723 20 0 BDADLO O=C(OC1COC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000902918237 584691763 /nfs/dbraw/zinc/69/17/63/584691763.db2.gz IKAVGQOWCNYLQJ-SECBINFHSA-N 1 2 237.259 1.082 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCC[C@H](F)C1 ZINC000902991351 584709839 /nfs/dbraw/zinc/70/98/39/584709839.db2.gz PEKXFMQVKRWISY-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCC[C@H](F)C1 ZINC000902991351 584709842 /nfs/dbraw/zinc/70/98/42/584709842.db2.gz PEKXFMQVKRWISY-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902991567 584710152 /nfs/dbraw/zinc/71/01/52/584710152.db2.gz VYKGGPANLDMVAS-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H](F)C1 ZINC000902991567 584710153 /nfs/dbraw/zinc/71/01/53/584710153.db2.gz VYKGGPANLDMVAS-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902992108 584710348 /nfs/dbraw/zinc/71/03/48/584710348.db2.gz HANUTLQSAANKHB-VHSXEESVSA-N 1 2 214.284 1.041 20 0 BDADLO CCN1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902992108 584710350 /nfs/dbraw/zinc/71/03/50/584710350.db2.gz HANUTLQSAANKHB-VHSXEESVSA-N 1 2 214.284 1.041 20 0 BDADLO F[C@@H]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000902994640 584712529 /nfs/dbraw/zinc/71/25/29/584712529.db2.gz GMCFTPSIPFWBAY-UPJWGTAASA-N 1 2 242.338 1.284 20 0 BDADLO F[C@@H]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000902994640 584712530 /nfs/dbraw/zinc/71/25/30/584712530.db2.gz GMCFTPSIPFWBAY-UPJWGTAASA-N 1 2 242.338 1.284 20 0 BDADLO O=S1(=O)CC[C@@H](CC[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902996170 584713664 /nfs/dbraw/zinc/71/36/64/584713664.db2.gz QQXXTYGZZBVIRJ-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CC[C@@H](CC[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902996170 584713666 /nfs/dbraw/zinc/71/36/66/584713666.db2.gz QQXXTYGZZBVIRJ-GHMZBOCLSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902996574 584714087 /nfs/dbraw/zinc/71/40/87/584714087.db2.gz VRPFZDKPLHKNMH-VHSXEESVSA-N 1 2 209.268 1.972 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](F)C1 ZINC000902996574 584714088 /nfs/dbraw/zinc/71/40/88/584714088.db2.gz VRPFZDKPLHKNMH-VHSXEESVSA-N 1 2 209.268 1.972 20 0 BDADLO F[C@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000902999663 584715480 /nfs/dbraw/zinc/71/54/80/584715480.db2.gz BSOXPQXTLJOQPG-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO F[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000902999663 584715482 /nfs/dbraw/zinc/71/54/82/584715482.db2.gz BSOXPQXTLJOQPG-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](F)C1)N1CCCCCC1 ZINC000903002708 584715882 /nfs/dbraw/zinc/71/58/82/584715882.db2.gz FIMHDGUATKKMDJ-LBPRGKRZSA-N 1 2 242.338 1.823 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](F)C1)N1CCCCCC1 ZINC000903002708 584715883 /nfs/dbraw/zinc/71/58/83/584715883.db2.gz FIMHDGUATKKMDJ-LBPRGKRZSA-N 1 2 242.338 1.823 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003846 584716833 /nfs/dbraw/zinc/71/68/33/584716833.db2.gz SQVPXIRWEHMNBB-SNVBAGLBSA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003846 584716834 /nfs/dbraw/zinc/71/68/34/584716834.db2.gz SQVPXIRWEHMNBB-SNVBAGLBSA-N 1 2 216.300 1.193 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccnc(F)c1)C2 ZINC000859130056 589006660 /nfs/dbraw/zinc/00/66/60/589006660.db2.gz MVFYFQPDWLCFFA-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cc1ccc(N[C@H]2CCO[C@]23CCOC3)c[nH+]1 ZINC000903140059 584730805 /nfs/dbraw/zinc/73/08/05/584730805.db2.gz ZOOZMOZGRYEFDZ-STQMWFEESA-N 1 2 234.299 1.750 20 0 BDADLO Cc1cc([C@@H](C)NC[C@@H]2CC[N@@H+]2C)no1 ZINC000903317125 584750339 /nfs/dbraw/zinc/75/03/39/584750339.db2.gz JWYWYMRQMDNJPX-ZJUUUORDSA-N 1 2 209.293 1.338 20 0 BDADLO Cc1cc([C@@H](C)NC[C@@H]2CC[N@H+]2C)no1 ZINC000903317125 584750340 /nfs/dbraw/zinc/75/03/40/584750340.db2.gz JWYWYMRQMDNJPX-ZJUUUORDSA-N 1 2 209.293 1.338 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000903338915 584751973 /nfs/dbraw/zinc/75/19/73/584751973.db2.gz UYRIKLPHNJWBGJ-VIFPVBQESA-N 1 2 249.318 1.013 20 0 BDADLO C[C@H](NCc1cn(C)c[nH+]1)c1cc2n(n1)CCC2 ZINC000903351546 584755228 /nfs/dbraw/zinc/75/52/28/584755228.db2.gz LVLLYWYENCMQFM-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1cc2n(n1)CCC2 ZINC000903351546 584755230 /nfs/dbraw/zinc/75/52/30/584755230.db2.gz LVLLYWYENCMQFM-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO C[C@H]([NH2+]C/C=C\Cl)c1cnn(C)n1 ZINC000903443910 584768819 /nfs/dbraw/zinc/76/88/19/584768819.db2.gz LRRHLHFPVPWSGT-AVALRIAPSA-N 1 2 200.673 1.218 20 0 BDADLO C[C@@H]([NH2+]C/C=C\Cl)c1cnn(C)n1 ZINC000903443911 584768974 /nfs/dbraw/zinc/76/89/74/584768974.db2.gz LRRHLHFPVPWSGT-KFOINNEUSA-N 1 2 200.673 1.218 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]C/C=C/Cl ZINC000903446584 584769830 /nfs/dbraw/zinc/76/98/30/584769830.db2.gz ZEDOXSACLOGXBP-FCJGRKLLSA-N 1 2 201.657 1.781 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000746498996 584777114 /nfs/dbraw/zinc/77/71/14/584777114.db2.gz BNLJYDVTRFSLRS-DSDFTUOUSA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCn2cccc2[C@@H]1C ZINC000746498996 584777115 /nfs/dbraw/zinc/77/71/15/584777115.db2.gz BNLJYDVTRFSLRS-DSDFTUOUSA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCn2cccc2[C@H]1C ZINC000746498997 584777834 /nfs/dbraw/zinc/77/78/34/584777834.db2.gz BNLJYDVTRFSLRS-HUMZTAOYSA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCn2cccc2[C@H]1C ZINC000746498997 584777836 /nfs/dbraw/zinc/77/78/36/584777836.db2.gz BNLJYDVTRFSLRS-HUMZTAOYSA-N 1 2 248.326 1.984 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1ccnc(F)c1)C2 ZINC000859158663 589011473 /nfs/dbraw/zinc/01/14/73/589011473.db2.gz HNYOCLCHYWHOEO-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1ccnc(F)c1)C2 ZINC000859158663 589011474 /nfs/dbraw/zinc/01/14/74/589011474.db2.gz HNYOCLCHYWHOEO-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CCCCN(O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000904162737 584843819 /nfs/dbraw/zinc/84/38/19/584843819.db2.gz GDWUYIWYUNAOHQ-JTQLQIEISA-N 1 2 240.307 1.473 20 0 BDADLO CCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904258355 584859309 /nfs/dbraw/zinc/85/93/09/584859309.db2.gz LVLDXBRSAGVMAA-UHFFFAOYSA-N 1 2 204.233 1.585 20 0 BDADLO CC(C)c1cnc(C[NH2+][C@H]2CNOC2)s1 ZINC000904425209 584880726 /nfs/dbraw/zinc/88/07/26/584880726.db2.gz CTEWAGVPWDXLKW-QMMMGPOBSA-N 1 2 227.333 1.260 20 0 BDADLO CCC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803493473 584888614 /nfs/dbraw/zinc/88/86/14/584888614.db2.gz OCBBPBFXYJSLLC-JTQLQIEISA-N 1 2 215.293 1.095 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOC[C@H](C)C2)nn1 ZINC000876752635 584886670 /nfs/dbraw/zinc/88/66/70/584886670.db2.gz VLVOEMIETIXISK-LLVKDONJSA-N 1 2 238.335 1.156 20 0 BDADLO CCCn1cc(C[N@H+]2CCOC[C@H](C)C2)nn1 ZINC000876752635 584886672 /nfs/dbraw/zinc/88/66/72/584886672.db2.gz VLVOEMIETIXISK-LLVKDONJSA-N 1 2 238.335 1.156 20 0 BDADLO C[C@H]1CN(C(=O)c2ccc(F)s2)CC[N@@H+]1C ZINC000828775619 584904447 /nfs/dbraw/zinc/90/44/47/584904447.db2.gz VRNNIOUJQVVYMN-QMMMGPOBSA-N 1 2 242.319 1.663 20 0 BDADLO C[C@H]1CN(C(=O)c2ccc(F)s2)CC[N@H+]1C ZINC000828775619 584904448 /nfs/dbraw/zinc/90/44/48/584904448.db2.gz VRNNIOUJQVVYMN-QMMMGPOBSA-N 1 2 242.319 1.663 20 0 BDADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1nccn1C ZINC000186517716 584912150 /nfs/dbraw/zinc/91/21/50/584912150.db2.gz GERGOCBMHVDYNF-QWRGUYRKSA-N 1 2 249.314 1.787 20 0 BDADLO C/C=C/C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000731689467 584928069 /nfs/dbraw/zinc/92/80/69/584928069.db2.gz IZKLCVFVAXMJHT-HWKANZROSA-N 1 2 229.283 1.835 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H](O)c2ccccc2)c[nH+]1 ZINC000731866796 584930551 /nfs/dbraw/zinc/93/05/51/584930551.db2.gz YZAFAJOQFCLHDB-LBPRGKRZSA-N 1 2 245.282 1.182 20 0 BDADLO CC(C)c1nc(NC[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000731920892 584931581 /nfs/dbraw/zinc/93/15/81/584931581.db2.gz UOWRJUWLTNYSMG-SSDOTTSWSA-N 1 2 249.236 1.935 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C(C)(C)C)C1 ZINC000788043252 584934215 /nfs/dbraw/zinc/93/42/15/584934215.db2.gz NLUQJYGMRGKKAJ-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000837676341 584938623 /nfs/dbraw/zinc/93/86/23/584938623.db2.gz MQSMLRNCUFMERV-ONGXEEELSA-N 1 2 233.315 1.880 20 0 BDADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C/C=C/Cl ZINC000733614463 584951261 /nfs/dbraw/zinc/95/12/61/584951261.db2.gz PCBGSXZITLGUMZ-JKKBLNIGSA-N 1 2 239.768 1.492 20 0 BDADLO COC[C@@H](C)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000733704491 584952217 /nfs/dbraw/zinc/95/22/17/584952217.db2.gz FDKZDTDFQSZPTC-SNVBAGLBSA-N 1 2 248.282 1.455 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnc(C)cn2)cn1 ZINC000733796133 584953533 /nfs/dbraw/zinc/95/35/33/584953533.db2.gz QBUOJRGOTZZBEX-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnc(C)cn2)cn1 ZINC000733796133 584953534 /nfs/dbraw/zinc/95/35/34/584953534.db2.gz QBUOJRGOTZZBEX-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CC(C)c1ocnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000733955838 584955300 /nfs/dbraw/zinc/95/53/00/584955300.db2.gz OVOMCDCFBIRBPB-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO Cc1cn2cc(NC(=O)C3=COCC3)ccc2[nH+]1 ZINC000734125875 584958347 /nfs/dbraw/zinc/95/83/47/584958347.db2.gz UVRUSQIKHGOKPA-UHFFFAOYSA-N 1 2 243.266 1.885 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781541 585007916 /nfs/dbraw/zinc/00/79/16/585007916.db2.gz KGSLHWAUKPRODP-HLTSFMKQSA-N 1 2 226.345 1.886 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000736859575 585018270 /nfs/dbraw/zinc/01/82/70/585018270.db2.gz DINVJAPDRWMUBC-QWRGUYRKSA-N 1 2 237.303 1.383 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000736859575 585018271 /nfs/dbraw/zinc/01/82/71/585018271.db2.gz DINVJAPDRWMUBC-QWRGUYRKSA-N 1 2 237.303 1.383 20 0 BDADLO Cc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)o1 ZINC000788079533 585018582 /nfs/dbraw/zinc/01/85/82/585018582.db2.gz DFZGTARKMKOFBI-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO Cc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)o1 ZINC000788079533 585018583 /nfs/dbraw/zinc/01/85/83/585018583.db2.gz DFZGTARKMKOFBI-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890104941 585023543 /nfs/dbraw/zinc/02/35/43/585023543.db2.gz UOTDHZGEUUTVBJ-SNVBAGLBSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)n1cc(C(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000890108138 585023701 /nfs/dbraw/zinc/02/37/01/585023701.db2.gz SYBUIZZIXRUFBB-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO Cc1occc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788086304 585039520 /nfs/dbraw/zinc/03/95/20/585039520.db2.gz ZLSRFKBSOJLZDG-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO Cc1occc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788086304 585039521 /nfs/dbraw/zinc/03/95/21/585039521.db2.gz ZLSRFKBSOJLZDG-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO Cc1cc(C)c(CNC(=O)N(C)CCF)c[nH+]1 ZINC000838719535 585067536 /nfs/dbraw/zinc/06/75/36/585067536.db2.gz JENHDDHRCQQDFL-UHFFFAOYSA-N 1 2 239.294 1.809 20 0 BDADLO CCOC1CC[NH+](Cc2cnn(CC)n2)CC1 ZINC000838793219 585068591 /nfs/dbraw/zinc/06/85/91/585068591.db2.gz HNZRKPKKONYYIP-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[NH+]2C[C@@H](C)S[C@H](C)C2)n1 ZINC000838805237 585069358 /nfs/dbraw/zinc/06/93/58/585069358.db2.gz ACCHRVYLJPJEAT-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@@H+]2CCc3ccsc3C2)n1 ZINC000838841190 585073969 /nfs/dbraw/zinc/07/39/69/585073969.db2.gz DAODPQVEWGDQCZ-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCn1ncc(C[N@H+]2CCc3ccsc3C2)n1 ZINC000838841190 585073970 /nfs/dbraw/zinc/07/39/70/585073970.db2.gz DAODPQVEWGDQCZ-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCn1ncc(C[N@@H+]2CCS[C@H](C)[C@H]2C)n1 ZINC000838841195 585073976 /nfs/dbraw/zinc/07/39/76/585073976.db2.gz CSILBHZSOAJUTL-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@H+]2CCS[C@H](C)[C@H]2C)n1 ZINC000838841195 585073977 /nfs/dbraw/zinc/07/39/77/585073977.db2.gz CSILBHZSOAJUTL-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)n1 ZINC000838841201 585074179 /nfs/dbraw/zinc/07/41/79/585074179.db2.gz CSILBHZSOAJUTL-VHSXEESVSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@H+]2CCS[C@H](C)[C@@H]2C)n1 ZINC000838841201 585074180 /nfs/dbraw/zinc/07/41/80/585074180.db2.gz CSILBHZSOAJUTL-VHSXEESVSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(Cl)o2)n1 ZINC000838888130 585078458 /nfs/dbraw/zinc/07/84/58/585078458.db2.gz DUIDJQMLRGPLSM-UHFFFAOYSA-N 1 2 240.694 1.834 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)c1cocn1 ZINC000838952668 585080798 /nfs/dbraw/zinc/08/07/98/585080798.db2.gz JWUCTVWYQJCZDU-UHFFFAOYSA-N 1 2 247.254 1.493 20 0 BDADLO C[C@@]1([NH2+]CCOCC2CCCC2)CCOC1=O ZINC000839021665 585087841 /nfs/dbraw/zinc/08/78/41/585087841.db2.gz OWXUHCPMEBDIOU-CYBMUJFWSA-N 1 2 241.331 1.488 20 0 BDADLO CCn1ncc(C[N@H+](C(C)C)[C@H]2CCOC2)n1 ZINC000839110037 585091630 /nfs/dbraw/zinc/09/16/30/585091630.db2.gz SFNCBHJCPMJDID-LBPRGKRZSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@@H+](C(C)C)[C@H]2CCOC2)n1 ZINC000839110037 585091631 /nfs/dbraw/zinc/09/16/31/585091631.db2.gz SFNCBHJCPMJDID-LBPRGKRZSA-N 1 2 238.335 1.297 20 0 BDADLO CCOC(=O)CC(C)(C)C[NH+]1CC(OC)C1 ZINC000839130433 585093561 /nfs/dbraw/zinc/09/35/61/585093561.db2.gz CXHHJLAPWTXDEX-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccc3c(n2)CCC3)C1 ZINC000839133223 585094107 /nfs/dbraw/zinc/09/41/07/585094107.db2.gz MVYDEDBVRKVSFW-UHFFFAOYSA-N 1 2 246.354 1.773 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000741781880 585118573 /nfs/dbraw/zinc/11/85/73/585118573.db2.gz NQCCDRCTUIXHIW-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000741781880 585118574 /nfs/dbraw/zinc/11/85/74/585118574.db2.gz NQCCDRCTUIXHIW-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO COCCCCCO[NH+]=C(N)COC(C)C ZINC000742356929 585124631 /nfs/dbraw/zinc/12/46/31/585124631.db2.gz KMSUTBJCMJNLDA-UHFFFAOYSA-N 1 2 232.324 1.727 20 0 BDADLO Cc1[nH+]c[nH]c1[C@@H]1NC2(CCCC2)C(=O)N1C ZINC000742441731 585126275 /nfs/dbraw/zinc/12/62/75/585126275.db2.gz GFOPYIDWEGLTNL-SNVBAGLBSA-N 1 2 234.303 1.091 20 0 BDADLO O=C(/C=C/C1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000742627215 585128961 /nfs/dbraw/zinc/12/89/61/585128961.db2.gz HFRSJAJECMWBGS-ONEGZZNKSA-N 1 2 244.294 1.637 20 0 BDADLO C[C@H]1C[NH+](CN2CCSC2=O)C[C@H](C)S1 ZINC000743378217 585136458 /nfs/dbraw/zinc/13/64/58/585136458.db2.gz UWQUBRIHZFEOBS-IUCAKERBSA-N 1 2 246.401 1.939 20 0 BDADLO Cc1nonc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000744414138 585149969 /nfs/dbraw/zinc/14/99/69/585149969.db2.gz WIZYLQMEJOSJBH-HTQZYQBOSA-N 1 2 227.333 1.704 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[Si](C)(C)C ZINC000745086792 585156722 /nfs/dbraw/zinc/15/67/22/585156722.db2.gz TXQIZBNAQFTCAN-JTQLQIEISA-N 1 2 229.396 1.891 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OC[Si](C)(C)C ZINC000745086792 585156723 /nfs/dbraw/zinc/15/67/23/585156723.db2.gz TXQIZBNAQFTCAN-JTQLQIEISA-N 1 2 229.396 1.891 20 0 BDADLO Cc1cccnc1NC(=O)Cn1cc[nH+]c1 ZINC000746129075 585163550 /nfs/dbraw/zinc/16/35/50/585163550.db2.gz BPLUITSKXIOMRR-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC1(Cl)Cl ZINC000746244254 585166445 /nfs/dbraw/zinc/16/64/45/585166445.db2.gz BLUTWGNDHQUTSH-ZCFIWIBFSA-N 1 2 248.113 1.262 20 0 BDADLO Cc1csc(N2CC[NH+](CCF)CC2)n1 ZINC000746501579 585169121 /nfs/dbraw/zinc/16/91/21/585169121.db2.gz DPIUCCRJDKZVKX-UHFFFAOYSA-N 1 2 229.324 1.543 20 0 BDADLO CC(C)[N@H+](Cn1ccsc1=O)C1CC1 ZINC000746603286 585170848 /nfs/dbraw/zinc/17/08/48/585170848.db2.gz MYJBZJJEVFEZKB-UHFFFAOYSA-N 1 2 212.318 1.740 20 0 BDADLO CC(C)[N@@H+](Cn1ccsc1=O)C1CC1 ZINC000746603286 585170849 /nfs/dbraw/zinc/17/08/49/585170849.db2.gz MYJBZJJEVFEZKB-UHFFFAOYSA-N 1 2 212.318 1.740 20 0 BDADLO C[N@H+](CCC1CC1)Cn1ccsc1=O ZINC000746638012 585171340 /nfs/dbraw/zinc/17/13/40/585171340.db2.gz UWRYUZQGCGVHRG-UHFFFAOYSA-N 1 2 212.318 1.599 20 0 BDADLO C[N@@H+](CCC1CC1)Cn1ccsc1=O ZINC000746638012 585171341 /nfs/dbraw/zinc/17/13/41/585171341.db2.gz UWRYUZQGCGVHRG-UHFFFAOYSA-N 1 2 212.318 1.599 20 0 BDADLO COC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746640028 585171377 /nfs/dbraw/zinc/17/13/77/585171377.db2.gz LNSNZKUFMFPPLU-UHFFFAOYSA-N 1 2 233.271 1.541 20 0 BDADLO C[C@@H]1C[C@@H](CO[NH+]=C(N)[C@@H]2CCCO2)CCO1 ZINC000789607801 585172900 /nfs/dbraw/zinc/17/29/00/585172900.db2.gz CRFRSFYLJKKHKY-VWYCJHECSA-N 1 2 242.319 1.479 20 0 BDADLO CCC1(C(=O)Nc2cc(C)[nH+]cc2C)COC1 ZINC000747107771 585175164 /nfs/dbraw/zinc/17/51/64/585175164.db2.gz PWNMDIVXDOPFMZ-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO Cc1[nH+]cnc(NC2CCOCC2)c1C ZINC000220557924 585176681 /nfs/dbraw/zinc/17/66/81/585176681.db2.gz BLEARBZZZFVSBA-UHFFFAOYSA-N 1 2 207.277 1.684 20 0 BDADLO OC[C@@]1(C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000886798948 585177819 /nfs/dbraw/zinc/17/78/19/585177819.db2.gz KGLQFBHOJLYKND-SECBINFHSA-N 1 2 249.236 1.156 20 0 BDADLO C/C=C\C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747675486 585182231 /nfs/dbraw/zinc/18/22/31/585182231.db2.gz RLLZIGHCPSBLPD-WAYWQWQTSA-N 1 2 234.299 1.899 20 0 BDADLO COCCCCC(=O)OCc1c[nH+]cn1C ZINC000747782826 585184148 /nfs/dbraw/zinc/18/41/48/585184148.db2.gz LFHALJCHZMIZPL-UHFFFAOYSA-N 1 2 226.276 1.280 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OC[C@@H]1CCOC1 ZINC000747836305 585185004 /nfs/dbraw/zinc/18/50/04/585185004.db2.gz QKGMUCODCOMXPR-WDEREUQCSA-N 1 2 244.335 1.582 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCCOC[C@@H]1C ZINC000749510745 585203188 /nfs/dbraw/zinc/20/31/88/585203188.db2.gz KULRJIUCDVFBBE-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCCOC[C@@H]1C ZINC000749510745 585203189 /nfs/dbraw/zinc/20/31/89/585203189.db2.gz KULRJIUCDVFBBE-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO C/C=C/C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749994018 585209457 /nfs/dbraw/zinc/20/94/57/585209457.db2.gz VKBGPTBPKJRXJM-AATRIKPKSA-N 1 2 219.288 1.971 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000751351884 585227111 /nfs/dbraw/zinc/22/71/11/585227111.db2.gz LORKAFBOPLHZMZ-SNVBAGLBSA-N 1 2 221.304 1.744 20 0 BDADLO CC(C)=C(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000751378665 585228515 /nfs/dbraw/zinc/22/85/15/585228515.db2.gz MGADNQWLABSONE-UHFFFAOYSA-N 1 2 207.277 1.724 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000752089776 585241956 /nfs/dbraw/zinc/24/19/56/585241956.db2.gz PHUQRALWDCJKCH-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1ncc(Cl)n1C ZINC000752089776 585241957 /nfs/dbraw/zinc/24/19/57/585241957.db2.gz PHUQRALWDCJKCH-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1noc(C2CC2)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000752283307 585244358 /nfs/dbraw/zinc/24/43/58/585244358.db2.gz NLJSUKWDVHCEDK-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO Cn1c[nH+]cc1CON=C(N)c1cccc(F)c1 ZINC000753119486 585253858 /nfs/dbraw/zinc/25/38/58/585253858.db2.gz ZZYWJIMHUAAVHE-UHFFFAOYSA-N 1 2 248.261 1.606 20 0 BDADLO COc1ccccc1C(=O)OCc1c[nH+]cn1C ZINC000753145583 585254330 /nfs/dbraw/zinc/25/43/30/585254330.db2.gz BBZRSUABZGALLD-UHFFFAOYSA-N 1 2 246.266 1.786 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3ccnc(F)c3)CCN12 ZINC000859219955 589020432 /nfs/dbraw/zinc/02/04/32/589020432.db2.gz MDSVJNCFWWEQRY-LLVKDONJSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccnc(F)c3)CCN12 ZINC000859219955 589020435 /nfs/dbraw/zinc/02/04/35/589020435.db2.gz MDSVJNCFWWEQRY-LLVKDONJSA-N 1 2 249.289 1.027 20 0 BDADLO COC(=O)C[N@H+](C)CCC(=O)C(C)(C)C ZINC000753698128 585266328 /nfs/dbraw/zinc/26/63/28/585266328.db2.gz SQZRVAWSVIZOFV-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)C[N@@H+](C)CCC(=O)C(C)(C)C ZINC000753698128 585266329 /nfs/dbraw/zinc/26/63/29/585266329.db2.gz SQZRVAWSVIZOFV-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO CCC(=O)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000753770572 585268663 /nfs/dbraw/zinc/26/86/63/585268663.db2.gz KFGWVNGPAWRQRT-RTUWITSCSA-N 1 2 231.361 1.197 20 0 BDADLO CCC(=O)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000753770572 585268664 /nfs/dbraw/zinc/26/86/64/585268664.db2.gz KFGWVNGPAWRQRT-RTUWITSCSA-N 1 2 231.361 1.197 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000754295042 585282164 /nfs/dbraw/zinc/28/21/64/585282164.db2.gz PZYNFVZVKAAQNW-UMYFRRCYSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@H]1CCC(=CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000754295042 585282165 /nfs/dbraw/zinc/28/21/65/585282165.db2.gz PZYNFVZVKAAQNW-UMYFRRCYSA-N 1 2 219.288 1.772 20 0 BDADLO CC(C)(C)/C=C\C(=O)NCc1c[nH+]c[nH]1 ZINC000754295011 585282219 /nfs/dbraw/zinc/28/22/19/585282219.db2.gz VLIRZPIVQIFOTA-PLNGDYQASA-N 1 2 207.277 1.628 20 0 BDADLO CC(C)(C)C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000754295011 585282220 /nfs/dbraw/zinc/28/22/20/585282220.db2.gz VLIRZPIVQIFOTA-PLNGDYQASA-N 1 2 207.277 1.628 20 0 BDADLO C[C@@H](C(=O)OCc1c[nH+]cn1C)c1ccco1 ZINC000754683955 585289345 /nfs/dbraw/zinc/28/93/45/585289345.db2.gz FGZRYKNQSZFTOJ-SECBINFHSA-N 1 2 234.255 1.860 20 0 BDADLO O=Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)cs1 ZINC000755001605 585293126 /nfs/dbraw/zinc/29/31/26/585293126.db2.gz PNZJJUHXKZHUIA-UHFFFAOYSA-N 1 2 249.295 1.256 20 0 BDADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCF)[C@@H]2C1 ZINC000755053630 585293818 /nfs/dbraw/zinc/29/38/18/585293818.db2.gz NKPDOXDHZATUQR-GMTAPVOTSA-N 1 2 217.284 1.224 20 0 BDADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCF)[C@@H]2C1 ZINC000755053630 585293819 /nfs/dbraw/zinc/29/38/19/585293819.db2.gz NKPDOXDHZATUQR-GMTAPVOTSA-N 1 2 217.284 1.224 20 0 BDADLO O=c1[nH]c(C[N@@H+]2CC[C@H]3C[C@H]32)nc2ccccc21 ZINC000839533175 585329239 /nfs/dbraw/zinc/32/92/39/585329239.db2.gz FZMNFOMMOPPUQU-JOYOIKCWSA-N 1 2 241.294 1.930 20 0 BDADLO O=c1[nH]c(C[N@H+]2CC[C@H]3C[C@H]32)nc2ccccc21 ZINC000839533175 585329240 /nfs/dbraw/zinc/32/92/40/585329240.db2.gz FZMNFOMMOPPUQU-JOYOIKCWSA-N 1 2 241.294 1.930 20 0 BDADLO CCCCC[N@H+](Cn1ncn(C)c1=O)C(C)C ZINC000758297866 585353518 /nfs/dbraw/zinc/35/35/18/585353518.db2.gz IXBZQTBKNHTYDK-UHFFFAOYSA-N 1 2 240.351 1.440 20 0 BDADLO CCCCC[N@@H+](Cn1ncn(C)c1=O)C(C)C ZINC000758297866 585353519 /nfs/dbraw/zinc/35/35/19/585353519.db2.gz IXBZQTBKNHTYDK-UHFFFAOYSA-N 1 2 240.351 1.440 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC[C@@H]1CCCCO1 ZINC000758763444 585359581 /nfs/dbraw/zinc/35/95/81/585359581.db2.gz VBJRAUWNKXMLQQ-NSHDSACASA-N 1 2 244.335 1.869 20 0 BDADLO C/C=C\C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000759206266 585365448 /nfs/dbraw/zinc/36/54/48/585365448.db2.gz BGGCBOHIFRQION-ARJAWSKDSA-N 1 2 246.314 1.010 20 0 BDADLO CCCCCC[C@H](O)C[N@H+](C)CC(=O)OC ZINC000759323641 585367019 /nfs/dbraw/zinc/36/70/19/585367019.db2.gz RCSHAZNYQAELNT-NSHDSACASA-N 1 2 231.336 1.423 20 0 BDADLO CCCCCC[C@H](O)C[N@@H+](C)CC(=O)OC ZINC000759323641 585367020 /nfs/dbraw/zinc/36/70/20/585367020.db2.gz RCSHAZNYQAELNT-NSHDSACASA-N 1 2 231.336 1.423 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOCC(F)F ZINC000759994700 585383913 /nfs/dbraw/zinc/38/39/13/585383913.db2.gz KSYAGFFISKRKMX-UHFFFAOYSA-N 1 2 231.202 1.130 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@H+](CCF)C2)[nH]1 ZINC000760963874 585402837 /nfs/dbraw/zinc/40/28/37/585402837.db2.gz UUUPXUMBLNHGOI-SECBINFHSA-N 1 2 212.272 1.262 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@@H+](CCF)C2)[nH]1 ZINC000760963874 585402838 /nfs/dbraw/zinc/40/28/38/585402838.db2.gz UUUPXUMBLNHGOI-SECBINFHSA-N 1 2 212.272 1.262 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@H+](CCF)C2)n1 ZINC000760963874 585402839 /nfs/dbraw/zinc/40/28/39/585402839.db2.gz UUUPXUMBLNHGOI-SECBINFHSA-N 1 2 212.272 1.262 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC000760963874 585402840 /nfs/dbraw/zinc/40/28/40/585402840.db2.gz UUUPXUMBLNHGOI-SECBINFHSA-N 1 2 212.272 1.262 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](CCF)C2)n[nH]1 ZINC000760963874 585402842 /nfs/dbraw/zinc/40/28/42/585402842.db2.gz UUUPXUMBLNHGOI-SECBINFHSA-N 1 2 212.272 1.262 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761053173 585403690 /nfs/dbraw/zinc/40/36/90/585403690.db2.gz YLMCDBCQYWEHGG-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761053173 585403691 /nfs/dbraw/zinc/40/36/91/585403691.db2.gz YLMCDBCQYWEHGG-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054717 585404715 /nfs/dbraw/zinc/40/47/15/585404715.db2.gz UEFSPFJKRFLYFL-RQJHMYQMSA-N 1 2 223.194 1.186 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054717 585404716 /nfs/dbraw/zinc/40/47/16/585404716.db2.gz UEFSPFJKRFLYFL-RQJHMYQMSA-N 1 2 223.194 1.186 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090586 585408092 /nfs/dbraw/zinc/40/80/92/585408092.db2.gz KJJBDKJSTUQHQF-HLTSFMKQSA-N 1 2 237.328 1.564 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090586 585408093 /nfs/dbraw/zinc/40/80/93/585408093.db2.gz KJJBDKJSTUQHQF-HLTSFMKQSA-N 1 2 237.328 1.564 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761092427 585408201 /nfs/dbraw/zinc/40/82/01/585408201.db2.gz MMMRWESCHAUQEY-DTWKUNHWSA-N 1 2 207.277 1.616 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761092427 585408202 /nfs/dbraw/zinc/40/82/02/585408202.db2.gz MMMRWESCHAUQEY-DTWKUNHWSA-N 1 2 207.277 1.616 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761092424 585408327 /nfs/dbraw/zinc/40/83/27/585408327.db2.gz MMMRWESCHAUQEY-BDAKNGLRSA-N 1 2 207.277 1.616 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761092424 585408328 /nfs/dbraw/zinc/40/83/28/585408328.db2.gz MMMRWESCHAUQEY-BDAKNGLRSA-N 1 2 207.277 1.616 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21)c1nccs1 ZINC000761093996 585408458 /nfs/dbraw/zinc/40/84/58/585408458.db2.gz MTATXLADWSOIOH-BDAKNGLRSA-N 1 2 237.328 1.200 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@@H]2C[C@@H]21)c1nccs1 ZINC000761093996 585408459 /nfs/dbraw/zinc/40/84/59/585408459.db2.gz MTATXLADWSOIOH-BDAKNGLRSA-N 1 2 237.328 1.200 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)o1 ZINC000761098060 585408873 /nfs/dbraw/zinc/40/88/73/585408873.db2.gz TYLLQIDNVJYBFM-BDAKNGLRSA-N 1 2 221.304 1.961 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H]3C[C@@H]32)o1 ZINC000761098060 585408874 /nfs/dbraw/zinc/40/88/74/585408874.db2.gz TYLLQIDNVJYBFM-BDAKNGLRSA-N 1 2 221.304 1.961 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)nn1 ZINC000761713000 585418042 /nfs/dbraw/zinc/41/80/42/585418042.db2.gz MPKLITNCFILGKT-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)nn1 ZINC000761713000 585418043 /nfs/dbraw/zinc/41/80/43/585418043.db2.gz MPKLITNCFILGKT-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO O=C(C=C1CCCC1)Nc1cc[nH+]cc1O ZINC000762804887 585437647 /nfs/dbraw/zinc/43/76/47/585437647.db2.gz KLZCQIRZPQLLOG-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO FC(F)C[N@H+](CCC1OCCO1)C1CCC1 ZINC000887102490 585440089 /nfs/dbraw/zinc/44/00/89/585440089.db2.gz ROKBQHJQGLYBIM-UHFFFAOYSA-N 1 2 235.274 1.869 20 0 BDADLO FC(F)C[N@@H+](CCC1OCCO1)C1CCC1 ZINC000887102490 585440090 /nfs/dbraw/zinc/44/00/90/585440090.db2.gz ROKBQHJQGLYBIM-UHFFFAOYSA-N 1 2 235.274 1.869 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCOC(C)(C)[C@@H]2C)C1 ZINC000763208932 585444261 /nfs/dbraw/zinc/44/42/61/585444261.db2.gz CCLPCBDWFXKFDW-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CCOC(C)(C)[C@@H]2C)C1 ZINC000763208932 585444262 /nfs/dbraw/zinc/44/42/62/585444262.db2.gz CCLPCBDWFXKFDW-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1CCC1 ZINC000763295218 585446118 /nfs/dbraw/zinc/44/61/18/585446118.db2.gz ZJDNWQOLSQBRTP-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc2c(c1)CCO2 ZINC000763620589 585451302 /nfs/dbraw/zinc/45/13/02/585451302.db2.gz GQWHWFXDSKDZEW-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc2c(c1)CCO2 ZINC000763620589 585451303 /nfs/dbraw/zinc/45/13/03/585451303.db2.gz GQWHWFXDSKDZEW-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc2c(c1)CCO2 ZINC000763620589 585451304 /nfs/dbraw/zinc/45/13/04/585451304.db2.gz GQWHWFXDSKDZEW-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000763716496 585453342 /nfs/dbraw/zinc/45/33/42/585453342.db2.gz WGZHULBBZFHFDN-ZYHUDNBSSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000763716496 585453343 /nfs/dbraw/zinc/45/33/43/585453343.db2.gz WGZHULBBZFHFDN-ZYHUDNBSSA-N 1 2 247.298 1.279 20 0 BDADLO Cn1c(Cl)cnc1CNCc1[nH]cc[nH+]1 ZINC000300743893 585516541 /nfs/dbraw/zinc/51/65/41/585516541.db2.gz INENHOITFUSPKV-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO O=C(CC[NH+]1CCN(CC2CC2)CC1)C1CC1 ZINC000767349400 585516921 /nfs/dbraw/zinc/51/69/21/585516921.db2.gz RXPBYUOGXWBLED-UHFFFAOYSA-N 1 2 236.359 1.383 20 0 BDADLO CC1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767570077 585522558 /nfs/dbraw/zinc/52/25/58/585522558.db2.gz YPLMHZBZTWUVEJ-PHIMTYICSA-N 1 2 239.315 1.193 20 0 BDADLO CC1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767570077 585522559 /nfs/dbraw/zinc/52/25/59/585522559.db2.gz YPLMHZBZTWUVEJ-PHIMTYICSA-N 1 2 239.315 1.193 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000768141269 585532709 /nfs/dbraw/zinc/53/27/09/585532709.db2.gz UQGDFMKOZOSJLR-NSHDSACASA-N 1 2 222.288 1.509 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000768141269 585532710 /nfs/dbraw/zinc/53/27/10/585532710.db2.gz UQGDFMKOZOSJLR-NSHDSACASA-N 1 2 222.288 1.509 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(C)oc1C ZINC000768303434 585535464 /nfs/dbraw/zinc/53/54/64/585535464.db2.gz SMTMFYOQFXTHOX-UHFFFAOYSA-N 1 2 224.304 1.464 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)oc1C ZINC000768303434 585535465 /nfs/dbraw/zinc/53/54/65/585535465.db2.gz SMTMFYOQFXTHOX-UHFFFAOYSA-N 1 2 224.304 1.464 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(C)ccc1F ZINC000768300774 585535600 /nfs/dbraw/zinc/53/56/00/585535600.db2.gz DHHFWHMGQVLWRB-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)ccc1F ZINC000768300774 585535601 /nfs/dbraw/zinc/53/56/01/585535601.db2.gz DHHFWHMGQVLWRB-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO Cc1cncc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000768800058 585543615 /nfs/dbraw/zinc/54/36/15/585543615.db2.gz XAJCBSDDSRVINH-UHFFFAOYSA-N 1 2 231.255 1.481 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCCCCCO ZINC000768933263 585546177 /nfs/dbraw/zinc/54/61/77/585546177.db2.gz HCOIFKLBFRGIGH-UHFFFAOYSA-N 1 2 246.351 1.853 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000768935501 585546436 /nfs/dbraw/zinc/54/64/36/585546436.db2.gz UEFACHSZFXFHPE-VIFPVBQESA-N 1 2 232.324 1.725 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccc[nH]1 ZINC000805381286 585550883 /nfs/dbraw/zinc/55/08/83/585550883.db2.gz CXAQGGWHVBXQGI-UHFFFAOYSA-N 1 2 232.239 1.775 20 0 BDADLO NC(=[NH+]OC[C@@H]1CCCOC1)c1ccccc1 ZINC000769877673 585565799 /nfs/dbraw/zinc/56/57/99/585565799.db2.gz LIDSDWRFNOBLNY-LLVKDONJSA-N 1 2 234.299 1.960 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)CC2OCCO2)c1 ZINC000769910256 585566412 /nfs/dbraw/zinc/56/64/12/585566412.db2.gz RTSYSEDZMYPWJJ-UHFFFAOYSA-N 1 2 239.290 1.939 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)CC2OCCO2)c1 ZINC000769910256 585566413 /nfs/dbraw/zinc/56/64/13/585566413.db2.gz RTSYSEDZMYPWJJ-UHFFFAOYSA-N 1 2 239.290 1.939 20 0 BDADLO CCOCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770412936 585573639 /nfs/dbraw/zinc/57/36/39/585573639.db2.gz NGDAVDXMAVIKDE-UHFFFAOYSA-N 1 2 233.271 1.101 20 0 BDADLO Cc1ccncc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000771362711 585593147 /nfs/dbraw/zinc/59/31/47/585593147.db2.gz NNGCIADUICRYGS-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccncc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000771362711 585593148 /nfs/dbraw/zinc/59/31/48/585593148.db2.gz NNGCIADUICRYGS-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000771448788 585594428 /nfs/dbraw/zinc/59/44/28/585594428.db2.gz UFMLHJAPUJMGFG-JTQLQIEISA-N 1 2 238.287 1.493 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCC3(C2)OCCO3)o1 ZINC000771448788 585594429 /nfs/dbraw/zinc/59/44/29/585594429.db2.gz UFMLHJAPUJMGFG-JTQLQIEISA-N 1 2 238.287 1.493 20 0 BDADLO CS/C=C/C(=O)OCc1c[nH+]cn1C ZINC000771617774 585597916 /nfs/dbraw/zinc/59/79/16/585597916.db2.gz ZKPGRYCDNJNVGN-ONEGZZNKSA-N 1 2 212.274 1.340 20 0 BDADLO O=C(Cc1ccc(O)cc1)OCCn1cc[nH+]c1 ZINC000771869956 585602897 /nfs/dbraw/zinc/60/28/97/585602897.db2.gz HMZSAKAGWMEYJS-UHFFFAOYSA-N 1 2 246.266 1.375 20 0 BDADLO CSC[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771957065 585605583 /nfs/dbraw/zinc/60/55/83/585605583.db2.gz FTJYAJWOFXBIRE-VIFPVBQESA-N 1 2 228.317 1.425 20 0 BDADLO COCCC1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000772012812 585606854 /nfs/dbraw/zinc/60/68/54/585606854.db2.gz IGVNFSMLFWTEKP-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO CC(C)(C)C[C@@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000772013828 585606985 /nfs/dbraw/zinc/60/69/85/585606985.db2.gz OUNYSUWNASCHML-SNVBAGLBSA-N 1 2 240.303 1.223 20 0 BDADLO Cc1c(O)cccc1C(=O)OCCn1cc[nH+]c1 ZINC000772031804 585607166 /nfs/dbraw/zinc/60/71/66/585607166.db2.gz XVXWIXKKBDXHRC-UHFFFAOYSA-N 1 2 246.266 1.754 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC(C)(C)C)C1 ZINC000805477290 585631162 /nfs/dbraw/zinc/63/11/62/585631162.db2.gz IBSQRRQGZGZFDH-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC(C)(C)C)C1 ZINC000805477290 585631163 /nfs/dbraw/zinc/63/11/63/585631163.db2.gz IBSQRRQGZGZFDH-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(F)CCCC1 ZINC000773102488 585631450 /nfs/dbraw/zinc/63/14/50/585631450.db2.gz WYQPTKGLSAEYGB-UHFFFAOYSA-N 1 2 211.240 1.308 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(F)CCCC1 ZINC000773102488 585631451 /nfs/dbraw/zinc/63/14/51/585631451.db2.gz WYQPTKGLSAEYGB-UHFFFAOYSA-N 1 2 211.240 1.308 20 0 BDADLO Cc1ccc(NC(=O)C2(O)CCC2)c(C)[nH+]1 ZINC000773287620 585634550 /nfs/dbraw/zinc/63/45/50/585634550.db2.gz PIPRGMJKGJDUCZ-UHFFFAOYSA-N 1 2 220.272 1.552 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cc[nH]c1 ZINC000805485616 585638163 /nfs/dbraw/zinc/63/81/63/585638163.db2.gz LZEUVBXFRMJOKK-UHFFFAOYSA-N 1 2 232.239 1.775 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cnc3ccccn23)C1 ZINC000773894392 585646018 /nfs/dbraw/zinc/64/60/18/585646018.db2.gz SYWNDLGXMUTTAP-UHFFFAOYSA-N 1 2 245.326 1.537 20 0 BDADLO CC(C)C1(O)CN(Cc2c[nH+]c3ccccn23)C1 ZINC000773894392 585646019 /nfs/dbraw/zinc/64/60/19/585646019.db2.gz SYWNDLGXMUTTAP-UHFFFAOYSA-N 1 2 245.326 1.537 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)ns1 ZINC000774120344 585650804 /nfs/dbraw/zinc/65/08/04/585650804.db2.gz ADZWYWOILIVBQN-UHFFFAOYSA-N 1 2 237.284 1.542 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000774727205 585664305 /nfs/dbraw/zinc/66/43/05/585664305.db2.gz CHGYHUCWQLWTIL-SNVBAGLBSA-N 1 2 237.303 1.094 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000774727205 585664306 /nfs/dbraw/zinc/66/43/06/585664306.db2.gz CHGYHUCWQLWTIL-SNVBAGLBSA-N 1 2 237.303 1.094 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1CCC=CO1 ZINC000805544077 585676713 /nfs/dbraw/zinc/67/67/13/585676713.db2.gz AVKPBRJSFCMXOF-GFCCVEGCSA-N 1 2 249.266 1.826 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1nccn1C ZINC000775414482 585677655 /nfs/dbraw/zinc/67/76/55/585677655.db2.gz MQARJMDABNHXQL-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1nccn1C ZINC000775566150 585679979 /nfs/dbraw/zinc/67/99/79/585679979.db2.gz JPHLWLAXQCXIKQ-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1nccn1C ZINC000775566150 585679980 /nfs/dbraw/zinc/67/99/80/585679980.db2.gz JPHLWLAXQCXIKQ-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CC(C)(C)C)C1 ZINC000776307943 585695577 /nfs/dbraw/zinc/69/55/77/585695577.db2.gz YVYBKDMIZWBIKK-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H]1CC[C@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC000776426019 585698513 /nfs/dbraw/zinc/69/85/13/585698513.db2.gz HAOFLSIWTWDXTC-QWRGUYRKSA-N 1 2 222.288 1.863 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000776526047 585700298 /nfs/dbraw/zinc/70/02/98/585700298.db2.gz VICLDNQVBINKPB-VHSXEESVSA-N 1 2 222.288 1.900 20 0 BDADLO COCC1([N@H+](C)CC(=O)OCC(C)C)CC1 ZINC000776602658 585702503 /nfs/dbraw/zinc/70/25/03/585702503.db2.gz VZOROOGYFHNEMR-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO COCC1([N@@H+](C)CC(=O)OCC(C)C)CC1 ZINC000776602658 585702504 /nfs/dbraw/zinc/70/25/04/585702504.db2.gz VZOROOGYFHNEMR-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO FCC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776608016 585702603 /nfs/dbraw/zinc/70/26/03/585702603.db2.gz MYEPBGHNBFJQBD-CYBMUJFWSA-N 1 2 223.291 1.899 20 0 BDADLO FCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776608016 585702604 /nfs/dbraw/zinc/70/26/04/585702604.db2.gz MYEPBGHNBFJQBD-CYBMUJFWSA-N 1 2 223.291 1.899 20 0 BDADLO Cc1ncc(C(=O)OCc2c[nH+]cn2C)c(C)n1 ZINC000777324686 585710143 /nfs/dbraw/zinc/71/01/43/585710143.db2.gz UOYMZAODLYPSGA-UHFFFAOYSA-N 1 2 246.270 1.184 20 0 BDADLO Cc1nonc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777454166 585712486 /nfs/dbraw/zinc/71/24/86/585712486.db2.gz UTYNJCGHGWNQHY-MRVPVSSYSA-N 1 2 247.258 1.078 20 0 BDADLO OCC[C@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000777822386 585720477 /nfs/dbraw/zinc/72/04/77/585720477.db2.gz MNRYAVUNTARLKR-LLVKDONJSA-N 1 2 243.310 1.981 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC=CCC2)C1=O ZINC000778577840 585737773 /nfs/dbraw/zinc/73/77/73/585737773.db2.gz ZJXHGUFYFGOUHA-CYBMUJFWSA-N 1 2 236.315 1.381 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC=CCC2)C1=O ZINC000778577840 585737774 /nfs/dbraw/zinc/73/77/74/585737774.db2.gz ZJXHGUFYFGOUHA-CYBMUJFWSA-N 1 2 236.315 1.381 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cncnc2)C[C@H]1F ZINC000779148252 585745951 /nfs/dbraw/zinc/74/59/51/585745951.db2.gz HDNPSXOMVFQEAF-GXSJLCMTSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cncnc2)C[C@H]1F ZINC000779148252 585745952 /nfs/dbraw/zinc/74/59/52/585745952.db2.gz HDNPSXOMVFQEAF-GXSJLCMTSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000779421976 585754562 /nfs/dbraw/zinc/75/45/62/585754562.db2.gz HJKBXBWMABOBSX-NSHDSACASA-N 1 2 238.331 1.298 20 0 BDADLO CCON(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000780662569 585782867 /nfs/dbraw/zinc/78/28/67/585782867.db2.gz PUDBIGWMHFOFCO-UHFFFAOYSA-N 1 2 219.248 1.050 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781354176 585794996 /nfs/dbraw/zinc/79/49/96/585794996.db2.gz OTQQKQQXVSHVTQ-YUMQZZPRSA-N 1 2 235.230 1.006 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781354176 585794997 /nfs/dbraw/zinc/79/49/97/585794997.db2.gz OTQQKQQXVSHVTQ-YUMQZZPRSA-N 1 2 235.230 1.006 20 0 BDADLO Fc1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000781667425 585801460 /nfs/dbraw/zinc/80/14/60/585801460.db2.gz CXNLVJCKQFWPMG-VIFPVBQESA-N 1 2 233.250 1.680 20 0 BDADLO C[C@H](C1CC1)N1CC[NH+](C2CCC2)CC1 ZINC000782180725 585810209 /nfs/dbraw/zinc/81/02/09/585810209.db2.gz AMWJBAHUGAAQQG-LLVKDONJSA-N 1 2 208.349 1.955 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)c1cccc(F)c1 ZINC000782320082 585814776 /nfs/dbraw/zinc/81/47/76/585814776.db2.gz DRROLYBYDXTKDE-MRVPVSSYSA-N 1 2 226.251 1.707 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCC(=O)C1CC1)CC2 ZINC000782514100 585819397 /nfs/dbraw/zinc/81/93/97/585819397.db2.gz OIIHQPPHADIOSU-UHFFFAOYSA-N 1 2 233.315 1.376 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000782534878 585819868 /nfs/dbraw/zinc/81/98/68/585819868.db2.gz HFOJXKMWWLRFPX-UHFFFAOYSA-N 1 2 241.331 1.298 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000782534878 585819869 /nfs/dbraw/zinc/81/98/69/585819869.db2.gz HFOJXKMWWLRFPX-UHFFFAOYSA-N 1 2 241.331 1.298 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)[nH]1 ZINC000782613336 585822206 /nfs/dbraw/zinc/82/22/06/585822206.db2.gz HRYAXYPBUZFCEZ-RISCZKNCSA-N 1 2 248.326 1.128 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)[nH]1 ZINC000782613336 585822207 /nfs/dbraw/zinc/82/22/07/585822207.db2.gz HRYAXYPBUZFCEZ-RISCZKNCSA-N 1 2 248.326 1.128 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1ccc(N(C)CCO)c[nH+]1 ZINC000783273849 585832777 /nfs/dbraw/zinc/83/27/77/585832777.db2.gz BKIFEEOOPQVZPP-ZYHUDNBSSA-N 1 2 235.331 1.721 20 0 BDADLO COC[C@@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000783611111 585838534 /nfs/dbraw/zinc/83/85/34/585838534.db2.gz PNYLMCDYZXVZEC-SECBINFHSA-N 1 2 234.255 1.526 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)o1 ZINC000783730191 585840888 /nfs/dbraw/zinc/84/08/88/585840888.db2.gz RVTOZYIENMGVKH-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)o1 ZINC000783730191 585840889 /nfs/dbraw/zinc/84/08/89/585840889.db2.gz RVTOZYIENMGVKH-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c(C)o1 ZINC000783735030 585841101 /nfs/dbraw/zinc/84/11/01/585841101.db2.gz YESOTKGMPHJHBH-SECBINFHSA-N 1 2 236.315 1.559 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c(C)o1 ZINC000783735030 585841102 /nfs/dbraw/zinc/84/11/02/585841102.db2.gz YESOTKGMPHJHBH-SECBINFHSA-N 1 2 236.315 1.559 20 0 BDADLO CC(C)NC(=S)Nc1cc(N(C)C)cc[nH+]1 ZINC000783762698 585842363 /nfs/dbraw/zinc/84/23/63/585842363.db2.gz MDXDZMBKMCFPLJ-UHFFFAOYSA-N 1 2 238.360 1.842 20 0 BDADLO CNC(=S)Nc1cc(N(C)C)cc[nH+]1 ZINC000783764061 585842679 /nfs/dbraw/zinc/84/26/79/585842679.db2.gz RBWVIQFGXBCWSD-UHFFFAOYSA-N 1 2 210.306 1.064 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H](F)C(C)C ZINC000784093759 585849401 /nfs/dbraw/zinc/84/94/01/585849401.db2.gz IGLQPSAFEXRLRC-JTQLQIEISA-N 1 2 210.252 1.745 20 0 BDADLO O=C(Cc1ccco1)OCCCn1cc[nH+]c1 ZINC000784199855 585852898 /nfs/dbraw/zinc/85/28/98/585852898.db2.gz NKMDJUCPDBMGCL-UHFFFAOYSA-N 1 2 234.255 1.652 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccoc2)C[C@H](C)O1 ZINC000784666862 585865220 /nfs/dbraw/zinc/86/52/20/585865220.db2.gz BDFCFWMIMXLKRQ-JQWIXIFHSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H](C)O1 ZINC000784666862 585865221 /nfs/dbraw/zinc/86/52/21/585865221.db2.gz BDFCFWMIMXLKRQ-JQWIXIFHSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccoc2)C[C@H](C)O1 ZINC000784666861 585865314 /nfs/dbraw/zinc/86/53/14/585865314.db2.gz BDFCFWMIMXLKRQ-CMPLNLGQSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccoc2)C[C@H](C)O1 ZINC000784666861 585865315 /nfs/dbraw/zinc/86/53/15/585865315.db2.gz BDFCFWMIMXLKRQ-CMPLNLGQSA-N 1 2 225.288 1.515 20 0 BDADLO CCC(C)(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784913813 585868351 /nfs/dbraw/zinc/86/83/51/585868351.db2.gz HKOMSXIZDTWQCC-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785420761 585873194 /nfs/dbraw/zinc/87/31/94/585873194.db2.gz CAMRURMQBUDHOJ-RKDXNWHRSA-N 1 2 239.319 1.384 20 0 BDADLO CCCC(=O)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785729412 585879103 /nfs/dbraw/zinc/87/91/03/585879103.db2.gz JGAXWVYLKXFPHW-QWRGUYRKSA-N 1 2 241.331 1.772 20 0 BDADLO CC(C)CN1C[C@H]2C[N@H+](CCF)CCN2C1=O ZINC000785875904 585882197 /nfs/dbraw/zinc/88/21/97/585882197.db2.gz BTTUAGZEDWIMOL-LLVKDONJSA-N 1 2 243.326 1.034 20 0 BDADLO CC(C)CN1C[C@H]2C[N@@H+](CCF)CCN2C1=O ZINC000785875904 585882198 /nfs/dbraw/zinc/88/21/98/585882198.db2.gz BTTUAGZEDWIMOL-LLVKDONJSA-N 1 2 243.326 1.034 20 0 BDADLO Cc1ccncc1C(=O)OCCCn1cc[nH+]c1 ZINC000785882971 585882495 /nfs/dbraw/zinc/88/24/95/585882495.db2.gz FQTUWUUENZYINQ-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000786677079 585895961 /nfs/dbraw/zinc/89/59/61/585895961.db2.gz MSXLQVSYYBVUEH-UWVGGRQHSA-N 1 2 247.298 1.488 20 0 BDADLO Fc1ccc(COCc2[nH]cc[nH+]2)nc1 ZINC000786728817 585896903 /nfs/dbraw/zinc/89/69/03/585896903.db2.gz XSBMEGURXUKGSD-UHFFFAOYSA-N 1 2 207.208 1.661 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000787178533 585902362 /nfs/dbraw/zinc/90/23/62/585902362.db2.gz STGKOHMZYSKLAP-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000787178533 585902363 /nfs/dbraw/zinc/90/23/63/585902363.db2.gz STGKOHMZYSKLAP-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(F)F ZINC000787177198 585902395 /nfs/dbraw/zinc/90/23/95/585902395.db2.gz OHGLQKRNUYALKC-UHFFFAOYSA-N 1 2 240.253 1.384 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)C(F)F)c1 ZINC000787518075 585910882 /nfs/dbraw/zinc/91/08/82/585910882.db2.gz NTGZXUQWJYBZRS-UHFFFAOYSA-N 1 2 215.203 1.351 20 0 BDADLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)n1C ZINC000787598759 585912509 /nfs/dbraw/zinc/91/25/09/585912509.db2.gz PIFQPTWNFQNENW-UHFFFAOYSA-N 1 2 245.282 1.668 20 0 BDADLO CCOC(C[N@@H+]1Cc2cccnc2C1)OCC ZINC000787667383 585913880 /nfs/dbraw/zinc/91/38/80/585913880.db2.gz ASWXDMICCIGLPJ-UHFFFAOYSA-N 1 2 236.315 1.796 20 0 BDADLO CCOC(C[N@H+]1Cc2cccnc2C1)OCC ZINC000787667383 585913881 /nfs/dbraw/zinc/91/38/81/585913881.db2.gz ASWXDMICCIGLPJ-UHFFFAOYSA-N 1 2 236.315 1.796 20 0 BDADLO C/C=C(/CC)C(=O)OCc1c[nH+]cn1C ZINC000789390379 585942039 /nfs/dbraw/zinc/94/20/39/585942039.db2.gz WHXFXNXUMVOXKJ-WTKPLQERSA-N 1 2 208.261 1.820 20 0 BDADLO COC(C)(C)CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789609251 585946473 /nfs/dbraw/zinc/94/64/73/585946473.db2.gz MKGBWAUWKYGJHK-VIFPVBQESA-N 1 2 230.308 1.479 20 0 BDADLO CCc1cnc(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000789611323 585946541 /nfs/dbraw/zinc/94/65/41/585946541.db2.gz RBCDGCSGWKGPPA-VIFPVBQESA-N 1 2 239.275 1.414 20 0 BDADLO NC(=[NH+]OCC[C@@H]1CCCCO1)[C@@H]1CCCO1 ZINC000789612717 585946580 /nfs/dbraw/zinc/94/65/80/585946580.db2.gz VARCHXUFFKCTSX-QWRGUYRKSA-N 1 2 242.319 1.623 20 0 BDADLO Cn1c[nH+]c(CNc2cnn(CC3CC3)c2)c1 ZINC000808401086 585949564 /nfs/dbraw/zinc/94/95/64/585949564.db2.gz AQBHJPTZMNNLGF-UHFFFAOYSA-N 1 2 231.303 1.639 20 0 BDADLO CO[C@@H](C)CC(=O)OCCCc1[nH+]ccn1C ZINC000789786269 585950045 /nfs/dbraw/zinc/95/00/45/585950045.db2.gz AIPZAGGRIFXLIL-JTQLQIEISA-N 1 2 240.303 1.321 20 0 BDADLO C/C=C(/C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790133676 585958451 /nfs/dbraw/zinc/95/84/51/585958451.db2.gz YDXLVVQRWYWNPI-QJGQKNTRSA-N 1 2 240.347 1.132 20 0 BDADLO COC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000790463725 585965228 /nfs/dbraw/zinc/96/52/28/585965228.db2.gz XBHNKJMFSFGSBR-UHFFFAOYSA-N 1 2 233.271 1.701 20 0 BDADLO NC(=[NH+]OCc1ncccn1)c1cccc(F)c1 ZINC000790499044 585965573 /nfs/dbraw/zinc/96/55/73/585965573.db2.gz RFAKHBURPXNECJ-UHFFFAOYSA-N 1 2 246.245 1.662 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCc1csc(C)n1 ZINC000790502460 585965785 /nfs/dbraw/zinc/96/57/85/585965785.db2.gz AUZDKJGMNHWYGB-SSDOTTSWSA-N 1 2 243.332 1.527 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(F)nc1 ZINC000791221273 585975272 /nfs/dbraw/zinc/97/52/72/585975272.db2.gz VLTWRHSOLLNSBI-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cccnc1F ZINC000791343859 585978081 /nfs/dbraw/zinc/97/80/81/585978081.db2.gz KNEFQKXSGSGMKP-UHFFFAOYSA-N 1 2 247.229 1.877 20 0 BDADLO COC/C=C\C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000791342062 585978262 /nfs/dbraw/zinc/97/82/62/585978262.db2.gz VUTKFMLKAACGCJ-IHWYPQMZSA-N 1 2 249.314 1.249 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1ccnc(F)c1 ZINC000859277426 589026978 /nfs/dbraw/zinc/02/69/78/589026978.db2.gz WPFVXDIXTQIJLL-SECBINFHSA-N 1 2 247.277 1.389 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1ccnc(F)c1 ZINC000859277426 589026980 /nfs/dbraw/zinc/02/69/80/589026980.db2.gz WPFVXDIXTQIJLL-SECBINFHSA-N 1 2 247.277 1.389 20 0 BDADLO C=CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000791384179 585979691 /nfs/dbraw/zinc/97/96/91/585979691.db2.gz GLXQGZHRRCWCAB-UHFFFAOYSA-N 1 2 201.229 1.137 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ncccn1 ZINC000791393153 585980295 /nfs/dbraw/zinc/98/02/95/585980295.db2.gz UDKCIWDSLXAHBM-LLVKDONJSA-N 1 2 249.314 1.394 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ncccn1 ZINC000791393153 585980296 /nfs/dbraw/zinc/98/02/96/585980296.db2.gz UDKCIWDSLXAHBM-LLVKDONJSA-N 1 2 249.314 1.394 20 0 BDADLO CC[C@@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000791501981 585982607 /nfs/dbraw/zinc/98/26/07/585982607.db2.gz FKGXJEDPMLKGHW-SNVBAGLBSA-N 1 2 210.277 1.863 20 0 BDADLO Nc1cc(COC(=O)COCC2CC2)cc[nH+]1 ZINC000791718967 585986598 /nfs/dbraw/zinc/98/65/98/585986598.db2.gz RGBWQGRWHVWEOI-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO Cc1cnoc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792015262 585993762 /nfs/dbraw/zinc/99/37/62/585993762.db2.gz GAXMUKMVQQFULW-UHFFFAOYSA-N 1 2 233.227 1.317 20 0 BDADLO Nc1cc(COC(=O)c2cc[nH]c(=O)c2)cc[nH+]1 ZINC000792039151 585994479 /nfs/dbraw/zinc/99/44/79/585994479.db2.gz JIAWBSSZOGHRLL-UHFFFAOYSA-N 1 2 245.238 1.121 20 0 BDADLO Cc1nnccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792061994 585995296 /nfs/dbraw/zinc/99/52/96/585995296.db2.gz BHOMLIANKIYWMK-UHFFFAOYSA-N 1 2 244.254 1.119 20 0 BDADLO Cc1coc(C)c1C(=O)OCCn1cc[nH+]c1 ZINC000792783393 586005402 /nfs/dbraw/zinc/00/54/02/586005402.db2.gz UWHUDDYKBLKPQX-UHFFFAOYSA-N 1 2 234.255 1.950 20 0 BDADLO CC(C)/C=C\C(=O)OCCc1c[nH+]cn1C ZINC000793253915 586015073 /nfs/dbraw/zinc/01/50/73/586015073.db2.gz UYDLTEBLGNAUQR-PLNGDYQASA-N 1 2 222.288 1.718 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)Cc1ccoc1 ZINC000793257549 586015329 /nfs/dbraw/zinc/01/53/29/586015329.db2.gz IRHXFGLXKOWBGJ-UHFFFAOYSA-N 1 2 234.255 1.342 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC=CO1 ZINC000793559938 586022904 /nfs/dbraw/zinc/02/29/04/586022904.db2.gz HWBUQDKCIIRDBU-BXKDBHETSA-N 1 2 247.298 1.076 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC=CO1 ZINC000793559938 586022905 /nfs/dbraw/zinc/02/29/05/586022905.db2.gz HWBUQDKCIIRDBU-BXKDBHETSA-N 1 2 247.298 1.076 20 0 BDADLO Cc1nnc(C[NH+]2CCC(n3cccn3)CC2)[nH]1 ZINC000794366021 586038552 /nfs/dbraw/zinc/03/85/52/586038552.db2.gz NYCOIKKCFADNIY-UHFFFAOYSA-N 1 2 246.318 1.147 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H]1CCOC1 ZINC000794521673 586041866 /nfs/dbraw/zinc/04/18/66/586041866.db2.gz DXJSGOUBKOFLBW-VHSXEESVSA-N 1 2 230.308 1.335 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000794577987 586045215 /nfs/dbraw/zinc/04/52/15/586045215.db2.gz VNPSPRDTIZSEEL-VXGBXAGGSA-N 1 2 243.347 1.326 20 0 BDADLO O=C1SCCN1C[NH+]1CCC(F)(F)CC1 ZINC000794687797 586046779 /nfs/dbraw/zinc/04/67/79/586046779.db2.gz ZEDPQMAKOXIPSN-UHFFFAOYSA-N 1 2 236.287 1.844 20 0 BDADLO Cc1nccc(COC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000795519931 586082596 /nfs/dbraw/zinc/08/25/96/586082596.db2.gz BHSOMFDFAJUXBW-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1nccc(COC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000795519931 586082598 /nfs/dbraw/zinc/08/25/98/586082598.db2.gz BHSOMFDFAJUXBW-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO CC(C)OCC[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795651013 586089932 /nfs/dbraw/zinc/08/99/32/586089932.db2.gz IQDOSTDEYKQVCI-JTQLQIEISA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795651013 586089933 /nfs/dbraw/zinc/08/99/33/586089933.db2.gz IQDOSTDEYKQVCI-JTQLQIEISA-N 1 2 229.320 1.437 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cn2ncn(C)c2=S)C1 ZINC000795675252 586090801 /nfs/dbraw/zinc/09/08/01/586090801.db2.gz QQKJDZCHGKCLNL-DTORHVGOSA-N 1 2 242.348 1.018 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cn2ncn(C)c2=S)C1 ZINC000795675252 586090802 /nfs/dbraw/zinc/09/08/02/586090802.db2.gz QQKJDZCHGKCLNL-DTORHVGOSA-N 1 2 242.348 1.018 20 0 BDADLO C[N@H+](C[C@@H]1CCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795685229 586091011 /nfs/dbraw/zinc/09/10/11/586091011.db2.gz QLMUHKSMXDIKFV-VHSXEESVSA-N 1 2 227.304 1.191 20 0 BDADLO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CC(C)(C)OC1=O ZINC000795685229 586091012 /nfs/dbraw/zinc/09/10/12/586091012.db2.gz QLMUHKSMXDIKFV-VHSXEESVSA-N 1 2 227.304 1.191 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cn1cc[nH]c1=S ZINC000795752017 586091638 /nfs/dbraw/zinc/09/16/38/586091638.db2.gz RQJABZWPFOCDCV-MRVPVSSYSA-N 1 2 215.322 1.096 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cn1cc[nH]c1=S ZINC000795752017 586091639 /nfs/dbraw/zinc/09/16/39/586091639.db2.gz RQJABZWPFOCDCV-MRVPVSSYSA-N 1 2 215.322 1.096 20 0 BDADLO O=C(Cc1ccc(F)cn1)OCCn1cc[nH+]c1 ZINC000795891359 586094025 /nfs/dbraw/zinc/09/40/25/586094025.db2.gz VGBVDLUOWSULGG-UHFFFAOYSA-N 1 2 249.245 1.203 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H](C)[S@@]1=O ZINC000796366426 586101621 /nfs/dbraw/zinc/10/16/21/586101621.db2.gz LJGCTVFIUNCTOK-FWRIAWDCSA-N 1 2 235.780 1.970 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H](C)[S@@]1=O ZINC000796366426 586101622 /nfs/dbraw/zinc/10/16/22/586101622.db2.gz LJGCTVFIUNCTOK-FWRIAWDCSA-N 1 2 235.780 1.970 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC(F)(F)C1 ZINC000796369195 586101781 /nfs/dbraw/zinc/10/17/81/586101781.db2.gz ASHFHYHVTLZVNC-SECBINFHSA-N 1 2 244.241 1.862 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCO[C@H]1CC ZINC000796457273 586104107 /nfs/dbraw/zinc/10/41/07/586104107.db2.gz CBLMTTVTZJIHSI-YPMHNXCESA-N 1 2 248.326 1.820 20 0 BDADLO C[C@@H](c1nnnn1C)[NH+]1CCC(F)(F)CC1 ZINC000796542255 586106438 /nfs/dbraw/zinc/10/64/38/586106438.db2.gz DACLCKKGVLSTKB-ZETCQYMHSA-N 1 2 231.250 1.002 20 0 BDADLO CCS(=O)(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000796540676 586106595 /nfs/dbraw/zinc/10/65/95/586106595.db2.gz LUQHWSZNYAZGNF-UHFFFAOYSA-N 1 2 241.303 1.152 20 0 BDADLO O[C@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)c1ccco1 ZINC000796684315 586110036 /nfs/dbraw/zinc/11/00/36/586110036.db2.gz SLOJDGAEAKXSKU-ZYHUDNBSSA-N 1 2 247.298 1.703 20 0 BDADLO CC(=O)OCc1c[nH+]cn1CC(F)(F)F ZINC000797127503 586120778 /nfs/dbraw/zinc/12/07/78/586120778.db2.gz LKYJXOIHJDCHID-UHFFFAOYSA-N 1 2 222.166 1.509 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cncs1 ZINC000797186213 586122533 /nfs/dbraw/zinc/12/25/33/586122533.db2.gz LBZOVYMWDUOHBB-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cncs1 ZINC000797186213 586122534 /nfs/dbraw/zinc/12/25/34/586122534.db2.gz LBZOVYMWDUOHBB-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](c3ccccn3)C2)no1 ZINC000799196939 586167169 /nfs/dbraw/zinc/16/71/69/586167169.db2.gz OEQFCHXGFVPNLW-NSHDSACASA-N 1 2 244.298 1.763 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](c3ccccn3)C2)no1 ZINC000799196939 586167172 /nfs/dbraw/zinc/16/71/72/586167172.db2.gz OEQFCHXGFVPNLW-NSHDSACASA-N 1 2 244.298 1.763 20 0 BDADLO Cc1cc(F)cc2c1C[N@H+](Cn1cnnc1)CC2 ZINC000799949787 586203363 /nfs/dbraw/zinc/20/33/63/586203363.db2.gz AGRIXTNQSHJIEO-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cc(F)cc2c1C[N@@H+](Cn1cnnc1)CC2 ZINC000799949787 586203364 /nfs/dbraw/zinc/20/33/64/586203364.db2.gz AGRIXTNQSHJIEO-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CC1OCCO1)C2 ZINC000859477024 589040002 /nfs/dbraw/zinc/04/00/02/589040002.db2.gz DTPGQNVKLHWRFV-UHFFFAOYSA-N 1 2 221.256 1.081 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CC1OCCO1)C2 ZINC000859477024 589040003 /nfs/dbraw/zinc/04/00/03/589040003.db2.gz DTPGQNVKLHWRFV-UHFFFAOYSA-N 1 2 221.256 1.081 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCC(C)(C)C2=O)C[C@H](C)O1 ZINC000839946650 586275748 /nfs/dbraw/zinc/27/57/48/586275748.db2.gz APRVGOZOMWSAJZ-PHIMTYICSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCC(C)(C)C2=O)C[C@H](C)O1 ZINC000839946650 586275749 /nfs/dbraw/zinc/27/57/49/586275749.db2.gz APRVGOZOMWSAJZ-PHIMTYICSA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)SCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802238398 586297582 /nfs/dbraw/zinc/29/75/82/586297582.db2.gz HWASMUGGGPICNQ-JTQLQIEISA-N 1 2 249.351 1.715 20 0 BDADLO CC(C)SCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802238398 586297585 /nfs/dbraw/zinc/29/75/85/586297585.db2.gz HWASMUGGGPICNQ-JTQLQIEISA-N 1 2 249.351 1.715 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1(F)CCCC1 ZINC000802239552 586298526 /nfs/dbraw/zinc/29/85/26/586298526.db2.gz LZEXTIOHIDVECG-JTQLQIEISA-N 1 2 247.285 1.856 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1(F)CCCC1 ZINC000802239552 586298529 /nfs/dbraw/zinc/29/85/29/586298529.db2.gz LZEXTIOHIDVECG-JTQLQIEISA-N 1 2 247.285 1.856 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000839974932 586309391 /nfs/dbraw/zinc/30/93/91/586309391.db2.gz UWFRBBORMJBIKJ-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2C[C@H](C)OC(C)(C)C2)C1=O ZINC000839974932 586309394 /nfs/dbraw/zinc/30/93/94/586309394.db2.gz UWFRBBORMJBIKJ-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@H](C)C(C)C)C1 ZINC000802775072 586313294 /nfs/dbraw/zinc/31/32/94/586313294.db2.gz FYJWDJMDRFWNFO-LLVKDONJSA-N 1 2 243.347 1.542 20 0 BDADLO CS[C@@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000802785796 586313855 /nfs/dbraw/zinc/31/38/55/586313855.db2.gz GSXRZSDVHUGFEF-VIFPVBQESA-N 1 2 242.344 1.647 20 0 BDADLO CC(C)C(=O)OCCCc1[nH+]ccn1C ZINC000802786033 586314501 /nfs/dbraw/zinc/31/45/01/586314501.db2.gz DMDDUPMZDFRUAM-UHFFFAOYSA-N 1 2 210.277 1.552 20 0 BDADLO Cc1nonc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000859536804 589043600 /nfs/dbraw/zinc/04/36/00/589043600.db2.gz KHSMWFPDMDAMAH-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO Cc1nonc1C[N@H+]1CCCC(F)(F)CC1 ZINC000859536804 589043603 /nfs/dbraw/zinc/04/36/03/589043603.db2.gz KHSMWFPDMDAMAH-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO O=C(OCCCCCO)c1ccc2[nH+]ccn2c1 ZINC000803345666 586346100 /nfs/dbraw/zinc/34/61/00/586346100.db2.gz GEAFCLJSVSGELO-UHFFFAOYSA-N 1 2 248.282 1.654 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803696992 586369850 /nfs/dbraw/zinc/36/98/50/586369850.db2.gz BGSBWPLYYQWQPB-ONGXEEELSA-N 1 2 229.320 1.483 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2CCO[C@H](C)[C@@H]2C)C(=O)[C@H]1C ZINC000840029496 586385060 /nfs/dbraw/zinc/38/50/60/586385060.db2.gz UQJHEFXICVIYJJ-NOOOWODRSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H]1CN(C[N@H+]2CCO[C@H](C)[C@@H]2C)C(=O)[C@H]1C ZINC000840029496 586385062 /nfs/dbraw/zinc/38/50/62/586385062.db2.gz UQJHEFXICVIYJJ-NOOOWODRSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)C(=O)[C@H]1C ZINC000840040544 586391218 /nfs/dbraw/zinc/39/12/18/586391218.db2.gz FWBNQUDLIGXJOV-NOOOWODRSA-N 1 2 242.338 1.738 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@@H](C)[C@H](F)C2)C(=O)[C@H]1C ZINC000840040544 586391221 /nfs/dbraw/zinc/39/12/21/586391221.db2.gz FWBNQUDLIGXJOV-NOOOWODRSA-N 1 2 242.338 1.738 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC=CO1 ZINC000804333957 586391275 /nfs/dbraw/zinc/39/12/75/586391275.db2.gz UGSBFPNWNWCQOP-CMPLNLGQSA-N 1 2 247.298 1.007 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333443 586391799 /nfs/dbraw/zinc/39/17/99/586391799.db2.gz ZZRHVSKHQAMFJK-JTQLQIEISA-N 1 2 219.288 1.280 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1=CCCCO1 ZINC000804334483 586391834 /nfs/dbraw/zinc/39/18/34/586391834.db2.gz HPWCLRABTMJOQU-JTQLQIEISA-N 1 2 247.298 1.008 20 0 BDADLO CC1(C)CCN(C[NH+]2CCC(F)(F)CC2)C1=O ZINC000840059382 586409800 /nfs/dbraw/zinc/40/98/00/586409800.db2.gz FYLYGSKCJDXDHF-UHFFFAOYSA-N 1 2 246.301 1.934 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000806865787 586420017 /nfs/dbraw/zinc/42/00/17/586420017.db2.gz DNMQWZWTAXXAQX-SNVBAGLBSA-N 1 2 237.347 1.761 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC1CCC1 ZINC000807040741 586422831 /nfs/dbraw/zinc/42/28/31/586422831.db2.gz QFFVCYOCPJOACI-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC[C@H](C)N(OC)C(=O)Cc1c[nH+]cn1C ZINC000807095608 586423265 /nfs/dbraw/zinc/42/32/65/586423265.db2.gz PUDMEAHANDVIGN-VIFPVBQESA-N 1 2 225.292 1.151 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)Cc1c[nH+]cn1C ZINC000807095607 586423327 /nfs/dbraw/zinc/42/33/27/586423327.db2.gz PUDMEAHANDVIGN-SECBINFHSA-N 1 2 225.292 1.151 20 0 BDADLO CC[NH2+]Cc1noc(/C=C\c2cnccn2)n1 ZINC000843145477 586445322 /nfs/dbraw/zinc/44/53/22/586445322.db2.gz NCYHXOGECDJMAN-ARJAWSKDSA-N 1 2 231.259 1.140 20 0 BDADLO CC[NH2+]Cc1noc(CCCOC(C)C)n1 ZINC000843145863 586445679 /nfs/dbraw/zinc/44/56/79/586445679.db2.gz XXAHVJAUALWOIJ-UHFFFAOYSA-N 1 2 227.308 1.537 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2CCOC2=S)C1 ZINC000840100588 586445984 /nfs/dbraw/zinc/44/59/84/586445984.db2.gz NRJUDKNAEVESAT-JTQLQIEISA-N 1 2 232.324 1.385 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2CCOC2=S)C1 ZINC000840100588 586445986 /nfs/dbraw/zinc/44/59/86/586445986.db2.gz NRJUDKNAEVESAT-JTQLQIEISA-N 1 2 232.324 1.385 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](F)C2)C1 ZINC000840102645 586446556 /nfs/dbraw/zinc/44/65/56/586446556.db2.gz YWLPXKUITOWTJZ-JQWIXIFHSA-N 1 2 228.311 1.636 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H](F)C2)C1 ZINC000840102645 586446557 /nfs/dbraw/zinc/44/65/57/586446557.db2.gz YWLPXKUITOWTJZ-JQWIXIFHSA-N 1 2 228.311 1.636 20 0 BDADLO O=C1[C@H]2CCC[C@@H]2CN1C[N@H+]1CC[C@H](F)C1 ZINC000840115161 586449047 /nfs/dbraw/zinc/44/90/47/586449047.db2.gz YJUJOAZGHAXSGF-VWYCJHECSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@H]2CCC[C@@H]2CN1C[N@@H+]1CC[C@H](F)C1 ZINC000840115161 586449048 /nfs/dbraw/zinc/44/90/48/586449048.db2.gz YJUJOAZGHAXSGF-VWYCJHECSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@H]2CCC[C@H]2CN1C[N@H+]1CC[C@@H](F)C1 ZINC000840115257 586449084 /nfs/dbraw/zinc/44/90/84/586449084.db2.gz YJUJOAZGHAXSGF-AXFHLTTASA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@H]2CCC[C@H]2CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000840115257 586449085 /nfs/dbraw/zinc/44/90/85/586449085.db2.gz YJUJOAZGHAXSGF-AXFHLTTASA-N 1 2 226.295 1.246 20 0 BDADLO COc1ccncc1CO[NH+]=C(N)[C@H](C)OC ZINC000808258803 586468856 /nfs/dbraw/zinc/46/88/56/586468856.db2.gz WDZGDYYERSYREB-QMMMGPOBSA-N 1 2 239.275 1.124 20 0 BDADLO Cn1c[nH+]c(CNc2cccc3c2OCCO3)c1 ZINC000808380621 586470277 /nfs/dbraw/zinc/47/02/77/586470277.db2.gz HIRDWAZHNVCGLG-UHFFFAOYSA-N 1 2 245.282 1.803 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2c(c1)C(=O)OC2 ZINC000809195361 586501108 /nfs/dbraw/zinc/50/11/08/586501108.db2.gz DCYOWOBRYKBZKA-UHFFFAOYSA-N 1 2 243.266 1.703 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccc(F)c1F ZINC000809744525 586516855 /nfs/dbraw/zinc/51/68/55/586516855.db2.gz PEZCEGUEKIKRBJ-UHFFFAOYSA-N 1 2 239.225 1.946 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(F)nc1 ZINC000809883193 586521926 /nfs/dbraw/zinc/52/19/26/586521926.db2.gz DQILHEWCDRVLST-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000809952625 586525523 /nfs/dbraw/zinc/52/55/23/586525523.db2.gz BRVCUUPKYSUWIF-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000809952625 586525525 /nfs/dbraw/zinc/52/55/25/586525525.db2.gz BRVCUUPKYSUWIF-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1ncccc1CO[NH+]=C(N)COC(C)C ZINC000809995797 586529435 /nfs/dbraw/zinc/52/94/35/586529435.db2.gz WZCLCZQIFBHKQI-UHFFFAOYSA-N 1 2 237.303 1.813 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1occ2c1CCC2 ZINC000810754988 586546273 /nfs/dbraw/zinc/54/62/73/586546273.db2.gz KLRHTZDHTZHRLZ-UHFFFAOYSA-N 1 2 245.282 1.432 20 0 BDADLO CCN(CC(=O)NC)c1[nH+]c2ccccc2n1C ZINC000811810104 586567308 /nfs/dbraw/zinc/56/73/08/586567308.db2.gz SJCKDAIYQASRCD-UHFFFAOYSA-N 1 2 246.314 1.146 20 0 BDADLO CC(C)[N@H+](Cn1ccsc1=O)[C@@H]1CCOC1 ZINC000812293060 586572967 /nfs/dbraw/zinc/57/29/67/586572967.db2.gz VTJWBIQYZAEITQ-SNVBAGLBSA-N 1 2 242.344 1.367 20 0 BDADLO CC(C)[N@@H+](Cn1ccsc1=O)[C@@H]1CCOC1 ZINC000812293060 586572968 /nfs/dbraw/zinc/57/29/68/586572968.db2.gz VTJWBIQYZAEITQ-SNVBAGLBSA-N 1 2 242.344 1.367 20 0 BDADLO COCC1(CO[NH+]=C(N)[C@H](C)OC)CCC1 ZINC000812304855 586573259 /nfs/dbraw/zinc/57/32/59/586573259.db2.gz UAQRWTOKKHKYIZ-VIFPVBQESA-N 1 2 230.308 1.336 20 0 BDADLO NC(C[NH+]1CCSCC1)=NOC1CCC1 ZINC000814265244 586620944 /nfs/dbraw/zinc/62/09/44/586620944.db2.gz IJJFIGFZTDBYDT-UHFFFAOYSA-N 1 2 229.349 1.086 20 0 BDADLO CCc1cc(NCCCc2cnn(C)n2)nc[nH+]1 ZINC000814897850 586645482 /nfs/dbraw/zinc/64/54/82/586645482.db2.gz NQTVPRNOAUMKPE-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000859765603 589059288 /nfs/dbraw/zinc/05/92/88/589059288.db2.gz LGHSKDHPCAUGKW-JTQLQIEISA-N 1 2 240.303 1.223 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1sccc1F ZINC000815967980 586700377 /nfs/dbraw/zinc/70/03/77/586700377.db2.gz SHBYATWIRYYNBR-UHFFFAOYSA-N 1 2 240.259 1.978 20 0 BDADLO CCc1nc(C)c(C(=O)OCc2c[nH+]cn2C)o1 ZINC000815967794 586700495 /nfs/dbraw/zinc/70/04/95/586700495.db2.gz MXXQSHYTNKICTB-UHFFFAOYSA-N 1 2 249.270 1.636 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1cccc(F)c1 ZINC000816855551 586768134 /nfs/dbraw/zinc/76/81/34/586768134.db2.gz MMYOROGWGSSJOS-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO CCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000816872793 586769094 /nfs/dbraw/zinc/76/90/94/586769094.db2.gz PSHDQMBYPYSREB-UHFFFAOYSA-N 1 2 249.339 1.893 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1cccc(O)c1 ZINC000816910718 586770437 /nfs/dbraw/zinc/77/04/37/586770437.db2.gz PNZIFBMNSBEJCW-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC=CCC1 ZINC000816906047 586770595 /nfs/dbraw/zinc/77/05/95/586770595.db2.gz WROXEKHARMKKKT-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C1CCC1 ZINC000816917395 586771281 /nfs/dbraw/zinc/77/12/81/586771281.db2.gz NBBMUSFYTWCYQC-NSHDSACASA-N 1 2 233.315 1.743 20 0 BDADLO Cc1nc(C)c(NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC000816945055 586772785 /nfs/dbraw/zinc/77/27/85/586772785.db2.gz UPKCMFUSOKGYCT-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO CC[C@H](C)CONC(=O)CCn1cc[nH+]c1 ZINC000816976488 586776271 /nfs/dbraw/zinc/77/62/71/586776271.db2.gz DXICCVOGPJGOGC-JTQLQIEISA-N 1 2 225.292 1.367 20 0 BDADLO CON(C)C(=O)CNc1[nH+]c2ccccc2n1C ZINC000817127206 586783596 /nfs/dbraw/zinc/78/35/96/586783596.db2.gz GNNQUYDHCUZESZ-UHFFFAOYSA-N 1 2 248.286 1.005 20 0 BDADLO COC(=O)[C@@H](F)CNc1cc(C(C)C)[nH+]cn1 ZINC000840339427 586798503 /nfs/dbraw/zinc/79/85/03/586798503.db2.gz GGTPSGBVCXJZRG-QMMMGPOBSA-N 1 2 241.266 1.523 20 0 BDADLO COC[C@H]1CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000817816012 586830094 /nfs/dbraw/zinc/83/00/94/586830094.db2.gz WLOQHWOQMOXNCP-SNVBAGLBSA-N 1 2 245.282 1.195 20 0 BDADLO CCc1nocc1C[NH2+]Cc1nn(CC)nc1C ZINC000818219807 586879836 /nfs/dbraw/zinc/87/98/36/586879836.db2.gz BSNFKRAIJBJZIE-UHFFFAOYSA-N 1 2 249.318 1.447 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819257917 586944565 /nfs/dbraw/zinc/94/45/65/586944565.db2.gz ZWTWPAFVZOHZAV-LWTINBJPSA-N 1 2 235.287 1.103 20 0 BDADLO CCOC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000819279945 586947236 /nfs/dbraw/zinc/94/72/36/586947236.db2.gz SBWWILQAPUOUFE-UHFFFAOYSA-N 1 2 245.282 1.195 20 0 BDADLO CCc1nc(C[NH2+]C[C@H](O)C(F)(F)F)co1 ZINC000819354892 586956257 /nfs/dbraw/zinc/95/62/57/586956257.db2.gz UHQYIWANLQDSOF-ZETCQYMHSA-N 1 2 238.209 1.250 20 0 BDADLO Cc1cc([NH+](C)C)ccc1NC[C@@H](C)O ZINC000819408277 586961702 /nfs/dbraw/zinc/96/17/02/586961702.db2.gz CYWFORZKUXNNIV-SNVBAGLBSA-N 1 2 208.305 1.854 20 0 BDADLO Cc1cc(NCCC(N)=O)ccc1[NH+](C)C ZINC000819408325 586962129 /nfs/dbraw/zinc/96/21/29/586962129.db2.gz OQIGBJXRRNYIOE-UHFFFAOYSA-N 1 2 221.304 1.348 20 0 BDADLO Cc1cc([NH2+]CCC(N)=O)ccc1N(C)C ZINC000819408325 586962131 /nfs/dbraw/zinc/96/21/31/586962131.db2.gz OQIGBJXRRNYIOE-UHFFFAOYSA-N 1 2 221.304 1.348 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccns2)[nH]1 ZINC000860060859 589078095 /nfs/dbraw/zinc/07/80/95/589078095.db2.gz BSQUYIRWZQCSMX-RQJHMYQMSA-N 1 2 237.332 1.981 20 0 BDADLO CC(C)OCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819763608 586991273 /nfs/dbraw/zinc/99/12/73/586991273.db2.gz FOJUCJSSSNMVLX-QMMMGPOBSA-N 1 2 230.333 1.409 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)C(C)(C)C)S1 ZINC000819768639 586991554 /nfs/dbraw/zinc/99/15/54/586991554.db2.gz NYFUKMLLPOJLKT-LURJTMIESA-N 1 2 200.307 1.640 20 0 BDADLO CCCSCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819766953 586991681 /nfs/dbraw/zinc/99/16/81/586991681.db2.gz QMRXBPXSSUBHBQ-SSDOTTSWSA-N 1 2 232.374 1.737 20 0 BDADLO Clc1ccc(N2CCn3c[nH+]cc3C2)nn1 ZINC000819930407 587002598 /nfs/dbraw/zinc/00/25/98/587002598.db2.gz JNLHBINSTIALMF-UHFFFAOYSA-N 1 2 235.678 1.347 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000820078511 587019159 /nfs/dbraw/zinc/01/91/59/587019159.db2.gz MXDGGNYIERLMIV-UWVGGRQHSA-N 1 2 237.303 1.213 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\[C@@H]1CCCO1 ZINC000820160713 587030081 /nfs/dbraw/zinc/03/00/81/587030081.db2.gz AXNMGOSHBDOXKW-WYGGZMRJSA-N 1 2 236.271 1.199 20 0 BDADLO CC(C)c1nc(N2Cc3c[nH]nc3C2)cc[nH+]1 ZINC000820591315 587057239 /nfs/dbraw/zinc/05/72/39/587057239.db2.gz HLXCAMDPLSNSRS-UHFFFAOYSA-N 1 2 229.287 1.843 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C(F)=C1CCC1 ZINC000820685877 587066070 /nfs/dbraw/zinc/06/60/70/587066070.db2.gz JLYVAVGFXXPFCQ-UHFFFAOYSA-N 1 2 238.262 1.913 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC2CCC2)[nH+]1 ZINC000820750659 587070432 /nfs/dbraw/zinc/07/04/32/587070432.db2.gz FWMBBVUUNRAUIA-UHFFFAOYSA-N 1 2 235.331 1.821 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC=CC1 ZINC000820947387 587083796 /nfs/dbraw/zinc/08/37/96/587083796.db2.gz BDGDDEQHFMFANK-SNVBAGLBSA-N 1 2 231.299 1.800 20 0 BDADLO CCC1(NC(=O)/C=C/c2cn(C)c[nH+]2)CC1 ZINC000821105279 587096361 /nfs/dbraw/zinc/09/63/61/587096361.db2.gz IMVZQJSNEJLDTP-SNAWJCMRSA-N 1 2 219.288 1.492 20 0 BDADLO CCC[C@@H](CC)C(=O)Nc1cc[nH+]cc1O ZINC000821378296 587114199 /nfs/dbraw/zinc/11/41/99/587114199.db2.gz LJLRAVSINLBOSQ-SECBINFHSA-N 1 2 222.288 1.974 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C=CCC1 ZINC000821384658 587115049 /nfs/dbraw/zinc/11/50/49/587115049.db2.gz AFGIWPSCCWHZGK-ZWNOBZJWSA-N 1 2 231.299 1.280 20 0 BDADLO CC1(CCC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000821385860 587115442 /nfs/dbraw/zinc/11/54/42/587115442.db2.gz OPLBOCHPLOCJOS-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)O ZINC000821555444 587127754 /nfs/dbraw/zinc/12/77/54/587127754.db2.gz AQARHYXNANZHNL-WCBMZHEXSA-N 1 2 247.298 1.452 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000821564631 587128562 /nfs/dbraw/zinc/12/85/62/587128562.db2.gz LVUMTJHPBNMRNK-WPRPVWTQSA-N 1 2 219.288 1.684 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](C)[C@H]2C)cc[nH+]1 ZINC000821564630 587128727 /nfs/dbraw/zinc/12/87/27/587128727.db2.gz LVUMTJHPBNMRNK-WCBMZHEXSA-N 1 2 219.288 1.684 20 0 BDADLO CCOCC(=O)OCc1ccc[nH+]c1N(C)C ZINC000821609225 587132439 /nfs/dbraw/zinc/13/24/39/587132439.db2.gz OBXUZWMGEANDFB-UHFFFAOYSA-N 1 2 238.287 1.227 20 0 BDADLO C[C@H](C1CC1)N(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000821747613 587136744 /nfs/dbraw/zinc/13/67/44/587136744.db2.gz QBURHQMBCNNRML-SECBINFHSA-N 1 2 233.315 1.742 20 0 BDADLO CC[C@@](C)(O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000822012229 587149427 /nfs/dbraw/zinc/14/94/27/587149427.db2.gz MYLQXWZRHYJSBI-CYBMUJFWSA-N 1 2 236.315 1.476 20 0 BDADLO CSC(C)(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000822156554 587157281 /nfs/dbraw/zinc/15/72/81/587157281.db2.gz UFAGYSYOLONFEY-VIFPVBQESA-N 1 2 241.360 1.529 20 0 BDADLO Cc1nc(CNC(=O)Cc2[nH]cc[nH+]2)cs1 ZINC000822613452 587177694 /nfs/dbraw/zinc/17/76/94/587177694.db2.gz PZZJQPXGPXIHTH-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2cnoc2C)CCO1 ZINC000860203067 589089513 /nfs/dbraw/zinc/08/95/13/589089513.db2.gz VWBLDQGCEWHMEF-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2cnoc2C)CCO1 ZINC000860203067 589089515 /nfs/dbraw/zinc/08/95/15/589089515.db2.gz VWBLDQGCEWHMEF-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO O=C(NOCCC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823145531 587205183 /nfs/dbraw/zinc/20/51/83/587205183.db2.gz PRMWELQVUALDMR-NXEZZACHSA-N 1 2 235.287 1.361 20 0 BDADLO CC/C(C)=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000823233889 587210375 /nfs/dbraw/zinc/21/03/75/587210375.db2.gz SOOTVSJKKXOVNN-HJWRWDBZSA-N 1 2 207.277 1.425 20 0 BDADLO CCC[C@@H](CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000823345821 587217234 /nfs/dbraw/zinc/21/72/34/587217234.db2.gz BFVPQTGKZJDNIV-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO CCn1nc(C)c(C[NH+]2CCSCC2)n1 ZINC000823394900 587219090 /nfs/dbraw/zinc/21/90/90/587219090.db2.gz FERYZWDDIFQFFB-UHFFFAOYSA-N 1 2 226.349 1.155 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ncc1F ZINC000824272144 587264110 /nfs/dbraw/zinc/26/41/10/587264110.db2.gz SJMXRZPYTGXBEZ-APPZFPTMSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ncc1F ZINC000824272144 587264111 /nfs/dbraw/zinc/26/41/11/587264111.db2.gz SJMXRZPYTGXBEZ-APPZFPTMSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824272377 587264124 /nfs/dbraw/zinc/26/41/24/587264124.db2.gz VZVWEZJOJCVTNM-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccnc(Cl)c1F ZINC000824272377 587264125 /nfs/dbraw/zinc/26/41/25/587264125.db2.gz VZVWEZJOJCVTNM-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO COc1nccc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000824321989 587265862 /nfs/dbraw/zinc/26/58/62/587265862.db2.gz ZMNHXORDIFEBOZ-UHFFFAOYSA-N 1 2 243.257 1.716 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000824344414 587266666 /nfs/dbraw/zinc/26/66/66/587266666.db2.gz KXYYHZITDQPSDF-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO Cc1cnccc1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000824344414 587266668 /nfs/dbraw/zinc/26/66/68/587266668.db2.gz KXYYHZITDQPSDF-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000824377152 587268324 /nfs/dbraw/zinc/26/83/24/587268324.db2.gz VZXUPUVTXMHANU-SECBINFHSA-N 1 2 226.324 1.073 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000824377152 587268325 /nfs/dbraw/zinc/26/83/25/587268325.db2.gz VZXUPUVTXMHANU-SECBINFHSA-N 1 2 226.324 1.073 20 0 BDADLO CC[C@@H](C)CCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824918418 587293583 /nfs/dbraw/zinc/29/35/83/587293583.db2.gz VIVOTBBCEQGSLF-ISALQUGTSA-N 1 2 235.331 1.986 20 0 BDADLO CC[C@H](C)N(C)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825068736 587302248 /nfs/dbraw/zinc/30/22/48/587302248.db2.gz WBSQAUDJBSQZPG-VIFPVBQESA-N 1 2 246.318 1.805 20 0 BDADLO C/C(=C\C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741399 587335518 /nfs/dbraw/zinc/33/55/18/587335518.db2.gz MQPNIPTYJCXQDF-KBVBDRTLSA-N 1 2 249.314 1.551 20 0 BDADLO C/C(=C\C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)[O-] ZINC000825741399 587335520 /nfs/dbraw/zinc/33/55/20/587335520.db2.gz MQPNIPTYJCXQDF-KBVBDRTLSA-N 1 2 249.314 1.551 20 0 BDADLO c1c(C[NH+]2CC3(CC3)C2)nn2c1CCC2 ZINC000826029258 587348916 /nfs/dbraw/zinc/34/89/16/587348916.db2.gz BHSJHTWWIZFWBX-UHFFFAOYSA-N 1 2 203.289 1.425 20 0 BDADLO Cc1cc[nH+]c(NCC(C)C)c1-c1nn[nH]n1 ZINC000826313088 587352182 /nfs/dbraw/zinc/35/21/82/587352182.db2.gz WBGGAQFLCUROHY-UHFFFAOYSA-N 1 2 232.291 1.638 20 0 BDADLO Cc1cc[nH+]c(NCCC2CC2)c1-c1nn[nH]n1 ZINC000826313477 587352448 /nfs/dbraw/zinc/35/24/48/587352448.db2.gz IEUPEZGTIHNZBK-UHFFFAOYSA-N 1 2 244.302 1.782 20 0 BDADLO CO[C@@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826724513 587360357 /nfs/dbraw/zinc/36/03/57/587360357.db2.gz LOHLKEFHMWTEML-GXFFZTMASA-N 1 2 248.326 1.324 20 0 BDADLO CO[C@@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826724513 587360358 /nfs/dbraw/zinc/36/03/58/587360358.db2.gz LOHLKEFHMWTEML-GXFFZTMASA-N 1 2 248.326 1.324 20 0 BDADLO CSC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000826765942 587361688 /nfs/dbraw/zinc/36/16/88/587361688.db2.gz IYIITWMFZJYYQE-UHFFFAOYSA-N 1 2 224.329 1.892 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)nn1 ZINC000826878339 587364691 /nfs/dbraw/zinc/36/46/91/587364691.db2.gz XFAUYYSPARDKPC-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)nn1 ZINC000826878339 587364692 /nfs/dbraw/zinc/36/46/92/587364692.db2.gz XFAUYYSPARDKPC-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCCCN(CCOC)C(=O)Cc1[nH]cc[nH+]1 ZINC000827034338 587368728 /nfs/dbraw/zinc/36/87/28/587368728.db2.gz YOVBXRUASIPGNC-UHFFFAOYSA-N 1 2 239.319 1.227 20 0 BDADLO CCn1c[nH+]cc1CN(CCF)CCOC ZINC000827049490 587368746 /nfs/dbraw/zinc/36/87/46/587368746.db2.gz XZNHQOTUFVZGJC-UHFFFAOYSA-N 1 2 229.299 1.321 20 0 BDADLO CC1=NO[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000827400836 587380045 /nfs/dbraw/zinc/38/00/45/587380045.db2.gz HYIJWRHDMKQPNW-SNVBAGLBSA-N 1 2 244.254 1.438 20 0 BDADLO Cc1c[nH]c(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[nH+]1 ZINC000827582682 587390488 /nfs/dbraw/zinc/39/04/88/587390488.db2.gz UOGGOOOINXXNJE-NVRFYQKYSA-N 1 2 245.326 1.626 20 0 BDADLO Cc1c[nH]c(CNC(=O)C2(C)CC=CC2)[nH+]1 ZINC000827582676 587390653 /nfs/dbraw/zinc/39/06/53/587390653.db2.gz UGDZXSFMNUWVAC-UHFFFAOYSA-N 1 2 219.288 1.691 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000827884785 587407548 /nfs/dbraw/zinc/40/75/48/587407548.db2.gz HYSJBOKWHFULFC-UHFFFAOYSA-N 1 2 247.277 1.206 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000827884785 587407549 /nfs/dbraw/zinc/40/75/49/587407549.db2.gz HYSJBOKWHFULFC-UHFFFAOYSA-N 1 2 247.277 1.206 20 0 BDADLO c1n[nH]c2c1C[N@H+](C[C@@H]1CCC=CO1)CCC2 ZINC000828009914 587416741 /nfs/dbraw/zinc/41/67/41/587416741.db2.gz MNRPWMIMASTCGG-LBPRGKRZSA-N 1 2 233.315 1.851 20 0 BDADLO c1n[nH]c2c1C[N@@H+](C[C@@H]1CCC=CO1)CCC2 ZINC000828009914 587416742 /nfs/dbraw/zinc/41/67/42/587416742.db2.gz MNRPWMIMASTCGG-LBPRGKRZSA-N 1 2 233.315 1.851 20 0 BDADLO CSCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828225267 587425665 /nfs/dbraw/zinc/42/56/65/587425665.db2.gz WDWXOHJUNKHHLF-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CCCONC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000828338897 587436779 /nfs/dbraw/zinc/43/67/79/587436779.db2.gz UVDSHEDOFXYCOC-BDAKNGLRSA-N 1 2 238.291 1.530 20 0 BDADLO CSc1cnc(N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000828357506 587437935 /nfs/dbraw/zinc/43/79/35/587437935.db2.gz JGPZALRYFDEERE-VIFPVBQESA-N 1 2 247.327 1.952 20 0 BDADLO C[S@](=O)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000828519663 587447375 /nfs/dbraw/zinc/44/73/75/587447375.db2.gz HWQMMBDAYWVFDU-ZBEGNZNMSA-N 1 2 241.360 1.315 20 0 BDADLO C[S@](=O)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000828519663 587447376 /nfs/dbraw/zinc/44/73/76/587447376.db2.gz HWQMMBDAYWVFDU-ZBEGNZNMSA-N 1 2 241.360 1.315 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000828544801 587450370 /nfs/dbraw/zinc/45/03/70/587450370.db2.gz HCSJBYWEMMUGCD-SECBINFHSA-N 1 2 244.289 1.693 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000828544801 587450373 /nfs/dbraw/zinc/45/03/73/587450373.db2.gz HCSJBYWEMMUGCD-SECBINFHSA-N 1 2 244.289 1.693 20 0 BDADLO CC(C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000828628434 587455159 /nfs/dbraw/zinc/45/51/59/587455159.db2.gz MTCWGWVXOZJNLO-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@@H](NC(=O)CSC(F)F)c1[nH]cc[nH+]1 ZINC000828693149 587457606 /nfs/dbraw/zinc/45/76/06/587457606.db2.gz OMWBNDHLLOLTLU-ZCFIWIBFSA-N 1 2 249.286 1.933 20 0 BDADLO CCON(CC)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000828733889 587459500 /nfs/dbraw/zinc/45/95/00/587459500.db2.gz OUEDFADETPXSIJ-SREVYHEPSA-N 1 2 223.276 1.233 20 0 BDADLO CCc1nocc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000828779589 587461950 /nfs/dbraw/zinc/46/19/50/587461950.db2.gz CYTVFVRGPWEJJR-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1nocc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000828779589 587461951 /nfs/dbraw/zinc/46/19/51/587461951.db2.gz CYTVFVRGPWEJJR-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C2CCCC1CCC2 ZINC000828794544 587462425 /nfs/dbraw/zinc/46/24/25/587462425.db2.gz FVGWKXZWKHRVNS-UHFFFAOYSA-N 1 2 233.315 1.886 20 0 BDADLO CC[C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828890040 587468998 /nfs/dbraw/zinc/46/89/98/587468998.db2.gz ZBXIRXIHWVFIBU-NXEZZACHSA-N 1 2 223.320 1.893 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)/C=C/C3CC3)cc2C1 ZINC000829441531 587497385 /nfs/dbraw/zinc/49/73/85/587497385.db2.gz MSUOJIKXIXAGPO-SNAWJCMRSA-N 1 2 246.314 1.233 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)/C=C/C3CC3)cc2C1 ZINC000829441531 587497387 /nfs/dbraw/zinc/49/73/87/587497387.db2.gz MSUOJIKXIXAGPO-SNAWJCMRSA-N 1 2 246.314 1.233 20 0 BDADLO CC(C)=C(C)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829442701 587497584 /nfs/dbraw/zinc/49/75/84/587497584.db2.gz WAYZIPCFFKWVAS-UHFFFAOYSA-N 1 2 248.330 1.623 20 0 BDADLO CC(C)=C(C)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829442701 587497586 /nfs/dbraw/zinc/49/75/86/587497586.db2.gz WAYZIPCFFKWVAS-UHFFFAOYSA-N 1 2 248.330 1.623 20 0 BDADLO C[N@H+](CC[S@@](C)=O)Cc1c(F)cccc1F ZINC000830034889 587532838 /nfs/dbraw/zinc/53/28/38/587532838.db2.gz VARZYHYLNIEPBK-MRXNPFEDSA-N 1 2 247.310 1.775 20 0 BDADLO C[N@@H+](CC[S@@](C)=O)Cc1c(F)cccc1F ZINC000830034889 587532839 /nfs/dbraw/zinc/53/28/39/587532839.db2.gz VARZYHYLNIEPBK-MRXNPFEDSA-N 1 2 247.310 1.775 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000830234288 587543084 /nfs/dbraw/zinc/54/30/84/587543084.db2.gz CPMLOVKWEQMCCL-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000830234288 587543085 /nfs/dbraw/zinc/54/30/85/587543085.db2.gz CPMLOVKWEQMCCL-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CC(C)CONC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000830892940 587575616 /nfs/dbraw/zinc/57/56/16/587575616.db2.gz CMEUKOOHVSPQKI-SECBINFHSA-N 1 2 237.303 1.218 20 0 BDADLO CC(C)CONC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000830892940 587575617 /nfs/dbraw/zinc/57/56/17/587575617.db2.gz CMEUKOOHVSPQKI-SECBINFHSA-N 1 2 237.303 1.218 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CCC(=O)C1 ZINC000830892551 587575770 /nfs/dbraw/zinc/57/57/70/587575770.db2.gz XJCWJRPSZDVPNL-SECBINFHSA-N 1 2 249.266 1.503 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000831204757 587591719 /nfs/dbraw/zinc/59/17/19/587591719.db2.gz JNXROCQXEXDSLC-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC12CCC(CC1)C2 ZINC000831224572 587593066 /nfs/dbraw/zinc/59/30/66/587593066.db2.gz LOZMGPALPLPDHG-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO CC[C@H](C[C@@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC000831302619 587596821 /nfs/dbraw/zinc/59/68/21/587596821.db2.gz IHHBRSIKOGHWEK-NXEZZACHSA-N 1 2 239.319 1.008 20 0 BDADLO CC[C@H](C[C@@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC000831302619 587596823 /nfs/dbraw/zinc/59/68/23/587596823.db2.gz IHHBRSIKOGHWEK-NXEZZACHSA-N 1 2 239.319 1.008 20 0 BDADLO CCON(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000831466922 587611266 /nfs/dbraw/zinc/61/12/66/587611266.db2.gz AFQWAMQYHJEESU-SNVBAGLBSA-N 1 2 237.303 1.246 20 0 BDADLO C[C@@H]1CC(NC(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000831539539 587617903 /nfs/dbraw/zinc/61/79/03/587617903.db2.gz XLWFWJURLFZTIS-RKDXNWHRSA-N 1 2 237.303 1.024 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Cc1[nH]cc[nH+]1 ZINC000831633922 587625067 /nfs/dbraw/zinc/62/50/67/587625067.db2.gz KTHBRKPNKVUYBT-NXEZZACHSA-N 1 2 221.304 1.742 20 0 BDADLO O=C(NOC1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000831703144 587628331 /nfs/dbraw/zinc/62/83/31/587628331.db2.gz YHDVVVRGYCFMJL-VIFPVBQESA-N 1 2 249.314 1.505 20 0 BDADLO O=C(NOC1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000831703144 587628333 /nfs/dbraw/zinc/62/83/33/587628333.db2.gz YHDVVVRGYCFMJL-VIFPVBQESA-N 1 2 249.314 1.505 20 0 BDADLO CC[C@H](CSC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000831702743 587628523 /nfs/dbraw/zinc/62/85/23/587628523.db2.gz SVPBLMOTGGPKTE-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1F ZINC000831799562 587632613 /nfs/dbraw/zinc/63/26/13/587632613.db2.gz JFVWHYHGKIXEDY-IUCAKERBSA-N 1 2 225.267 1.159 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000832165274 587647427 /nfs/dbraw/zinc/64/74/27/587647427.db2.gz QQZUQNRAFCUANM-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000832170907 587648039 /nfs/dbraw/zinc/64/80/39/587648039.db2.gz ZHNFNCQDQKPOKJ-JTQLQIEISA-N 1 2 229.320 1.200 20 0 BDADLO C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCO1 ZINC000832464661 587661864 /nfs/dbraw/zinc/66/18/64/587661864.db2.gz QNXWFKOHNZEAPC-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000832625016 587670739 /nfs/dbraw/zinc/67/07/39/587670739.db2.gz NZRFTAQJJXJAQK-GMTAPVOTSA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833305548 587705418 /nfs/dbraw/zinc/70/54/18/587705418.db2.gz RMUZNEMMPQHPOE-VIFPVBQESA-N 1 2 221.304 1.880 20 0 BDADLO C[C@@H]1CCSCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000834369399 587753337 /nfs/dbraw/zinc/75/33/37/587753337.db2.gz PTORDLKMKBVFJB-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000834439871 587755296 /nfs/dbraw/zinc/75/52/96/587755296.db2.gz JJPQFAAOKQBAFQ-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO CC(C)[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000834664863 587763266 /nfs/dbraw/zinc/76/32/66/587763266.db2.gz WKTRQOHFQCGRJS-LBPRGKRZSA-N 1 2 220.272 1.732 20 0 BDADLO CC1=NO[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000834836246 587768444 /nfs/dbraw/zinc/76/84/44/587768444.db2.gz KOKXNWDNGNGGLR-SNVBAGLBSA-N 1 2 244.254 1.438 20 0 BDADLO CC/C(C)=C\C(=O)OCc1c[nH+]cn1C ZINC000835193470 587787703 /nfs/dbraw/zinc/78/77/03/587787703.db2.gz LOSZLRVISSLRCO-UITAMQMPSA-N 1 2 208.261 1.820 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000835348781 587797763 /nfs/dbraw/zinc/79/77/63/587797763.db2.gz BRHWRMCKQAUEFH-ZETCQYMHSA-N 1 2 216.187 1.082 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835370561 587798530 /nfs/dbraw/zinc/79/85/30/587798530.db2.gz HMSNRBCCMOSRPU-GMTAPVOTSA-N 1 2 229.295 1.620 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835370561 587798531 /nfs/dbraw/zinc/79/85/31/587798531.db2.gz HMSNRBCCMOSRPU-GMTAPVOTSA-N 1 2 229.295 1.620 20 0 BDADLO CC(C)CCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836184011 587828001 /nfs/dbraw/zinc/82/80/01/587828001.db2.gz SSTAMGUIXDHUGS-JTQLQIEISA-N 1 2 236.319 1.673 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NN1CCCCC1 ZINC000836484446 587834099 /nfs/dbraw/zinc/83/40/99/587834099.db2.gz SNDNYBHHCYLSRE-UHFFFAOYSA-N 1 2 234.303 1.334 20 0 BDADLO Cc1nocc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000867180035 587835119 /nfs/dbraw/zinc/83/51/19/587835119.db2.gz RWGQOVPIZBCGGM-SNVBAGLBSA-N 1 2 246.270 1.683 20 0 BDADLO COC/C=C/C(=O)NCc1c[nH+]c(C)cc1C ZINC000837105083 587854236 /nfs/dbraw/zinc/85/42/36/587854236.db2.gz ONVUIDMXQNMQOF-SNAWJCMRSA-N 1 2 234.299 1.517 20 0 BDADLO C/C=C(/C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840526086 587909838 /nfs/dbraw/zinc/90/98/38/587909838.db2.gz OAYJGKYVJVWOQY-WZUFQYTHSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1cccc(CO[NH+]=C(N)COC(C)C)n1 ZINC000842024196 587988873 /nfs/dbraw/zinc/98/88/73/587988873.db2.gz DBTATZZMRHDMGT-UHFFFAOYSA-N 1 2 237.303 1.813 20 0 BDADLO Cc1ccc(CONC(=O)C2CC2)c(C)[nH+]1 ZINC000842109777 588001105 /nfs/dbraw/zinc/00/11/05/588001105.db2.gz ZXNDDGKFXWBFPA-UHFFFAOYSA-N 1 2 220.272 1.656 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCOCC2CCC2)CCO1 ZINC000842158146 588004698 /nfs/dbraw/zinc/00/46/98/588004698.db2.gz JIOYNCUBNRJIIX-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCOCC2CCC2)CCO1 ZINC000842158146 588004701 /nfs/dbraw/zinc/00/47/01/588004701.db2.gz JIOYNCUBNRJIIX-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO NC(COC[C@@H]1CCCO1)=[NH+]OC1CCCC1 ZINC000842659565 588050133 /nfs/dbraw/zinc/05/01/33/588050133.db2.gz YNGOGNSVRNIQHD-NSHDSACASA-N 1 2 242.319 1.623 20 0 BDADLO CCCCO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842661295 588050853 /nfs/dbraw/zinc/05/08/53/588050853.db2.gz MUZAARWBLVPBNO-JTQLQIEISA-N 1 2 230.308 1.338 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867499438 588073346 /nfs/dbraw/zinc/07/33/46/588073346.db2.gz LCFKXNVEOADWRK-JMJZKYOTSA-N 1 2 237.303 1.090 20 0 BDADLO CC[NH2+]Cc1noc(C2(COC)CCC2)n1 ZINC000843143555 588086326 /nfs/dbraw/zinc/08/63/26/588086326.db2.gz RAPAMLJJHBFDJQ-UHFFFAOYSA-N 1 2 225.292 1.247 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccc(C)nc2)n1 ZINC000843145758 588086750 /nfs/dbraw/zinc/08/67/50/588086750.db2.gz VWXDNFOHBNXFOM-UHFFFAOYSA-N 1 2 232.287 1.473 20 0 BDADLO [NH3+]C1(c2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000843187313 588091273 /nfs/dbraw/zinc/09/12/73/588091273.db2.gz FDBKLWQQLMCANU-UHFFFAOYSA-N 1 2 241.254 1.561 20 0 BDADLO [NH3+]C1(c2nc(-c3ccc(O)cc3F)no2)CC1 ZINC000843218899 588093746 /nfs/dbraw/zinc/09/37/46/588093746.db2.gz JOYAUTDRJOENOM-UHFFFAOYSA-N 1 2 235.218 1.529 20 0 BDADLO CNC(=S)NCCc1cn2c(cccc2C)[nH+]1 ZINC000843286435 588097315 /nfs/dbraw/zinc/09/73/15/588097315.db2.gz LDRCMZDTGGFSSW-UHFFFAOYSA-N 1 2 248.355 1.279 20 0 BDADLO Cc1cccc(CCSCc2cnn(C)n2)[nH+]1 ZINC000843302745 588098474 /nfs/dbraw/zinc/09/84/74/588098474.db2.gz WBYLKGZKPUDIIH-UHFFFAOYSA-N 1 2 248.355 1.994 20 0 BDADLO CC[NH2+]CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000843495520 588115333 /nfs/dbraw/zinc/11/53/33/588115333.db2.gz UBPJPHNEQIOJIN-UHFFFAOYSA-N 1 2 232.234 1.204 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C(F)F)CC1 ZINC000843596478 588127886 /nfs/dbraw/zinc/12/78/86/588127886.db2.gz CPAYKOYIPYTBRQ-UHFFFAOYSA-N 1 2 229.230 1.082 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CO1 ZINC000843729955 588135254 /nfs/dbraw/zinc/13/52/54/588135254.db2.gz QHCBXTUXBNOODA-ZJUUUORDSA-N 1 2 245.282 1.242 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1C[C@H]1C1CCC1 ZINC000844317430 588184339 /nfs/dbraw/zinc/18/43/39/588184339.db2.gz RKCXRFAAGXPIPI-DTWKUNHWSA-N 1 2 224.329 1.642 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)no1 ZINC000844436392 588191542 /nfs/dbraw/zinc/19/15/42/588191542.db2.gz HBFFRISMHAXAOM-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)no1 ZINC000844436392 588191543 /nfs/dbraw/zinc/19/15/43/588191543.db2.gz HBFFRISMHAXAOM-JTQLQIEISA-N 1 2 243.257 1.999 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000844446540 588194495 /nfs/dbraw/zinc/19/44/95/588194495.db2.gz IPVMPLGCESGOCH-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000844446540 588194497 /nfs/dbraw/zinc/19/44/97/588194497.db2.gz IPVMPLGCESGOCH-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844451509 588195459 /nfs/dbraw/zinc/19/54/59/588195459.db2.gz KAPPUYIVGAPVFK-BIIVOSGPSA-N 1 2 243.257 1.890 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844451509 588195460 /nfs/dbraw/zinc/19/54/60/588195460.db2.gz KAPPUYIVGAPVFK-BIIVOSGPSA-N 1 2 243.257 1.890 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470541 588198286 /nfs/dbraw/zinc/19/82/86/588198286.db2.gz KEWYMGVZQCFGFF-LLVKDONJSA-N 1 2 247.285 1.917 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470541 588198287 /nfs/dbraw/zinc/19/82/87/588198287.db2.gz KEWYMGVZQCFGFF-LLVKDONJSA-N 1 2 247.285 1.917 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCCC2=O)[C@H](C)CO1 ZINC000844734255 588215443 /nfs/dbraw/zinc/21/54/43/588215443.db2.gz WGLQCQHUPUPPGC-MNOVXSKESA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCCC2=O)[C@H](C)CO1 ZINC000844734255 588215444 /nfs/dbraw/zinc/21/54/44/588215444.db2.gz WGLQCQHUPUPPGC-MNOVXSKESA-N 1 2 226.320 1.066 20 0 BDADLO CC(C(=O)NCCc1c[nH+]cn1C)=C1CCCC1 ZINC000121561376 588221656 /nfs/dbraw/zinc/22/16/56/588221656.db2.gz UIYPKHOXHPYVGE-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO COC/C(C)=C\C(=O)OCCc1c[nH+]cn1C ZINC000845244155 588224722 /nfs/dbraw/zinc/22/47/22/588224722.db2.gz UILMZCBDDOJYBL-POHAHGRESA-N 1 2 238.287 1.099 20 0 BDADLO C[C@H](CC(=O)OCc1ccon1)n1cc[nH+]c1 ZINC000845278280 588225192 /nfs/dbraw/zinc/22/51/92/588225192.db2.gz SVCVVVUMIXUWAJ-SECBINFHSA-N 1 2 235.243 1.566 20 0 BDADLO C[C@@H](CC(=O)OCC(=O)C1CC1)n1cc[nH+]c1 ZINC000845281137 588225485 /nfs/dbraw/zinc/22/54/85/588225485.db2.gz FZKOCSJSSFEDOC-VIFPVBQESA-N 1 2 236.271 1.357 20 0 BDADLO C[C@H](CC(=O)OCc1cc[nH]n1)n1cc[nH+]c1 ZINC000845285148 588225739 /nfs/dbraw/zinc/22/57/39/588225739.db2.gz HIUCQBPWAJSMJV-SECBINFHSA-N 1 2 234.259 1.301 20 0 BDADLO COC(C)(C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845582693 588233988 /nfs/dbraw/zinc/23/39/88/588233988.db2.gz QKGZLKBGKKPQHJ-JTQLQIEISA-N 1 2 240.303 1.802 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000846086320 588255743 /nfs/dbraw/zinc/25/57/43/588255743.db2.gz NYTFRSAZAUBPCX-GHMZBOCLSA-N 1 2 228.336 1.470 20 0 BDADLO CCONC(=O)C[NH2+][C@H](CC)C[C@H](C)CC ZINC000846090461 588256335 /nfs/dbraw/zinc/25/63/35/588256335.db2.gz AYUHNJNTQIKUQG-GHMZBOCLSA-N 1 2 230.352 1.859 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000846245311 588262548 /nfs/dbraw/zinc/26/25/48/588262548.db2.gz URPBWILJMVYUFH-VIFPVBQESA-N 1 2 235.287 1.454 20 0 BDADLO CC(C)(NC(=O)/C=C/[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000846248928 588262718 /nfs/dbraw/zinc/26/27/18/588262718.db2.gz ZUPYAEOFYJAVOP-BRAIEQGRSA-N 1 2 249.314 1.496 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H](F)C1 ZINC000846631589 588280220 /nfs/dbraw/zinc/28/02/20/588280220.db2.gz SYIXSLDDCUGLAK-JTQLQIEISA-N 1 2 247.273 1.908 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000846815698 588290699 /nfs/dbraw/zinc/29/06/99/588290699.db2.gz RZOBEVJOCKTBLY-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000846815698 588290700 /nfs/dbraw/zinc/29/07/00/588290700.db2.gz RZOBEVJOCKTBLY-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000846852232 588293317 /nfs/dbraw/zinc/29/33/17/588293317.db2.gz WOFKMVRTPNPHRL-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846852232 588293318 /nfs/dbraw/zinc/29/33/18/588293318.db2.gz WOFKMVRTPNPHRL-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO C[C@H](CO)[N@H+](Cc1cnsn1)C1CCCC1 ZINC000846865997 588294153 /nfs/dbraw/zinc/29/41/53/588294153.db2.gz RWGILCVSKFEYCE-SECBINFHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](CO)[N@@H+](Cc1cnsn1)C1CCCC1 ZINC000846865997 588294154 /nfs/dbraw/zinc/29/41/54/588294154.db2.gz RWGILCVSKFEYCE-SECBINFHSA-N 1 2 241.360 1.664 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cc2cnsn2)C1 ZINC000846890897 588295390 /nfs/dbraw/zinc/29/53/90/588295390.db2.gz KNTVYSNSZVKJET-MRVPVSSYSA-N 1 2 209.318 1.936 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cc2cnsn2)C1 ZINC000846890897 588295391 /nfs/dbraw/zinc/29/53/91/588295391.db2.gz KNTVYSNSZVKJET-MRVPVSSYSA-N 1 2 209.318 1.936 20 0 BDADLO OCC[C@H]1CCCCC[N@@H+]1Cc1cnsn1 ZINC000846896002 588296029 /nfs/dbraw/zinc/29/60/29/588296029.db2.gz TZWORFDMYIDXPC-LLVKDONJSA-N 1 2 241.360 1.665 20 0 BDADLO OCC[C@H]1CCCCC[N@H+]1Cc1cnsn1 ZINC000846896002 588296030 /nfs/dbraw/zinc/29/60/30/588296030.db2.gz TZWORFDMYIDXPC-LLVKDONJSA-N 1 2 241.360 1.665 20 0 BDADLO OCC[C@@H]1CCCCC[N@@H+]1Cc1cnsn1 ZINC000846896003 588296108 /nfs/dbraw/zinc/29/61/08/588296108.db2.gz TZWORFDMYIDXPC-NSHDSACASA-N 1 2 241.360 1.665 20 0 BDADLO OCC[C@@H]1CCCCC[N@H+]1Cc1cnsn1 ZINC000846896003 588296109 /nfs/dbraw/zinc/29/61/09/588296109.db2.gz TZWORFDMYIDXPC-NSHDSACASA-N 1 2 241.360 1.665 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000846896276 588296155 /nfs/dbraw/zinc/29/61/55/588296155.db2.gz VZMJPVYTRPBGMR-QWRGUYRKSA-N 1 2 239.344 1.682 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000846896276 588296156 /nfs/dbraw/zinc/29/61/56/588296156.db2.gz VZMJPVYTRPBGMR-QWRGUYRKSA-N 1 2 239.344 1.682 20 0 BDADLO CC(=O)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000846938920 588297700 /nfs/dbraw/zinc/29/77/00/588297700.db2.gz BRVBVORGXHDOQM-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CC(=O)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000846938920 588297701 /nfs/dbraw/zinc/29/77/01/588297701.db2.gz BRVBVORGXHDOQM-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847038829 588304705 /nfs/dbraw/zinc/30/47/05/588304705.db2.gz WPVFTLRLEGBBFW-NWDGAFQWSA-N 1 2 239.315 1.335 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847038829 588304706 /nfs/dbraw/zinc/30/47/06/588304706.db2.gz WPVFTLRLEGBBFW-NWDGAFQWSA-N 1 2 239.315 1.335 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CC1(C)COC1 ZINC000847062983 588305396 /nfs/dbraw/zinc/30/53/96/588305396.db2.gz SFVFZFMFTCVURF-UHFFFAOYSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1noc(C[N@H+](C)CCC(=O)C(C)(C)C)n1 ZINC000847090846 588306116 /nfs/dbraw/zinc/30/61/16/588306116.db2.gz DBQBTVMPOVDRGP-UHFFFAOYSA-N 1 2 239.319 1.815 20 0 BDADLO Cc1noc(C[N@@H+](C)CCC(=O)C(C)(C)C)n1 ZINC000847090846 588306117 /nfs/dbraw/zinc/30/61/17/588306117.db2.gz DBQBTVMPOVDRGP-UHFFFAOYSA-N 1 2 239.319 1.815 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)no1 ZINC000847300503 588310454 /nfs/dbraw/zinc/31/04/54/588310454.db2.gz BUKGNFNKBIHYDZ-ZETCQYMHSA-N 1 2 234.259 1.523 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)no1 ZINC000847300503 588310455 /nfs/dbraw/zinc/31/04/55/588310455.db2.gz BUKGNFNKBIHYDZ-ZETCQYMHSA-N 1 2 234.259 1.523 20 0 BDADLO C[N@H+](Cn1cc(Cl)cn1)[C@@H]1CCOC1 ZINC000106857657 588313438 /nfs/dbraw/zinc/31/34/38/588313438.db2.gz DMPVPUIMKXQKBC-SECBINFHSA-N 1 2 215.684 1.215 20 0 BDADLO C[N@H+](Cn1cc(Cl)cn1)[C@H]1CCOC1 ZINC000106857659 588313364 /nfs/dbraw/zinc/31/33/64/588313364.db2.gz DMPVPUIMKXQKBC-VIFPVBQESA-N 1 2 215.684 1.215 20 0 BDADLO C[N@@H+](Cn1cc(Cl)cn1)[C@H]1CCOC1 ZINC000106857659 588313366 /nfs/dbraw/zinc/31/33/66/588313366.db2.gz DMPVPUIMKXQKBC-VIFPVBQESA-N 1 2 215.684 1.215 20 0 BDADLO C[N@@H+]1CCN(C(=O)C(C)(F)F)CC1(C)C ZINC000848035184 588349187 /nfs/dbraw/zinc/34/91/87/588349187.db2.gz OHYOSXFSIJQASB-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO C[N@H+]1CCN(C(=O)C(C)(F)F)CC1(C)C ZINC000848035184 588349188 /nfs/dbraw/zinc/34/91/88/588349188.db2.gz OHYOSXFSIJQASB-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1=CCCCO1 ZINC000848174714 588365209 /nfs/dbraw/zinc/36/52/09/588365209.db2.gz UBIWIZNHKPVWCZ-UHFFFAOYSA-N 1 2 235.287 1.214 20 0 BDADLO C[C@@H](NC(=O)COC1(C)CCC1)c1[nH]cc[nH+]1 ZINC000848387622 588375956 /nfs/dbraw/zinc/37/59/56/588375956.db2.gz ZPRRCCPUTSRZHT-SECBINFHSA-N 1 2 237.303 1.546 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1coc(C)n1 ZINC000848510696 588388286 /nfs/dbraw/zinc/38/82/86/588388286.db2.gz UYXGTZHMHGXDIF-ZCFIWIBFSA-N 1 2 213.237 1.016 20 0 BDADLO Cn1c(Cl)ncc1C[NH2+]Cc1ccon1 ZINC000848539257 588394782 /nfs/dbraw/zinc/39/47/82/588394782.db2.gz FBTFYJKAEXBEDW-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)n1 ZINC000848545627 588394878 /nfs/dbraw/zinc/39/48/78/588394878.db2.gz ZLNHLWSIMZPVJZ-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnc(Cl)n2C)n1 ZINC000848545600 588395013 /nfs/dbraw/zinc/39/50/13/588395013.db2.gz ZAQXKDKXYOKEHC-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cc1nc(COC(=O)C[C@H](C)n2cc[nH+]c2)co1 ZINC000848768503 588413182 /nfs/dbraw/zinc/41/31/82/588413182.db2.gz AMDCHHKZBPSIKA-VIFPVBQESA-N 1 2 249.270 1.874 20 0 BDADLO CC(=O)[C@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780040 588413443 /nfs/dbraw/zinc/41/34/43/588413443.db2.gz GRIPOBXMBANJOV-JTQLQIEISA-N 1 2 246.266 1.777 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OCCCO)ccn12 ZINC000848780082 588413586 /nfs/dbraw/zinc/41/35/86/588413586.db2.gz IEMVWNUAYHVZDI-UHFFFAOYSA-N 1 2 234.255 1.182 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1cnc(Cl)n1C ZINC000848887225 588416610 /nfs/dbraw/zinc/41/66/10/588416610.db2.gz QTBDVXDOHGJIQE-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1cnc(Cl)n1C ZINC000848887225 588416611 /nfs/dbraw/zinc/41/66/11/588416611.db2.gz QTBDVXDOHGJIQE-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CC(C)CCC(=O)OCC[NH+]1CCOCC1 ZINC000849168366 588459208 /nfs/dbraw/zinc/45/92/08/588459208.db2.gz NWDRQAINECDDMM-UHFFFAOYSA-N 1 2 229.320 1.298 20 0 BDADLO CCCN(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000849396784 588476568 /nfs/dbraw/zinc/47/65/68/588476568.db2.gz ORXKEWVKNNXPAY-UWVGGRQHSA-N 1 2 236.319 1.940 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(C)C)C1 ZINC000849734599 588491793 /nfs/dbraw/zinc/49/17/93/588491793.db2.gz MAIODYCGPJOJMB-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(C)C)C1 ZINC000849734599 588491795 /nfs/dbraw/zinc/49/17/95/588491795.db2.gz MAIODYCGPJOJMB-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO COc1cncc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000850323756 588536908 /nfs/dbraw/zinc/53/69/08/588536908.db2.gz FSRDECLMSPGRLZ-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc(C)oc2C)nn1 ZINC000850366867 588540369 /nfs/dbraw/zinc/54/03/69/588540369.db2.gz MJYDPLCADNMRMG-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)n1 ZINC000850369858 588540939 /nfs/dbraw/zinc/54/09/39/588540939.db2.gz BSZIPGLAVWRQHY-KBPBESRZSA-N 1 2 243.310 1.688 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)n1 ZINC000850369859 588541154 /nfs/dbraw/zinc/54/11/54/588541154.db2.gz BSZIPGLAVWRQHY-KGLIPLIRSA-N 1 2 243.310 1.688 20 0 BDADLO FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]Cc1ccn[nH]1 ZINC000850378380 588542155 /nfs/dbraw/zinc/54/21/55/588542155.db2.gz AOFCRJJPLRAYNI-ZJUUUORDSA-N 1 2 243.257 1.314 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCOC(F)F ZINC000851715899 588616065 /nfs/dbraw/zinc/61/60/65/588616065.db2.gz FHQUZFLNTVWLHY-SFYZADRCSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCOC(F)F ZINC000851715899 588616066 /nfs/dbraw/zinc/61/60/66/588616066.db2.gz FHQUZFLNTVWLHY-SFYZADRCSA-N 1 2 209.236 1.335 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOC(F)F ZINC000851737488 588620773 /nfs/dbraw/zinc/62/07/73/588620773.db2.gz FSSPBSPMCHIXAN-UHFFFAOYSA-N 1 2 225.235 1.111 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOC(F)F ZINC000851737488 588620774 /nfs/dbraw/zinc/62/07/74/588620774.db2.gz FSSPBSPMCHIXAN-UHFFFAOYSA-N 1 2 225.235 1.111 20 0 BDADLO Cc1cccc2c1CC[N@H+](CCc1cnn[nH]1)C2 ZINC000851753428 588623614 /nfs/dbraw/zinc/62/36/14/588623614.db2.gz VJRKZUQNQHBINN-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO Cc1cccc2c1CC[N@@H+](CCc1cnn[nH]1)C2 ZINC000851753428 588623615 /nfs/dbraw/zinc/62/36/15/588623615.db2.gz VJRKZUQNQHBINN-UHFFFAOYSA-N 1 2 242.326 1.714 20 0 BDADLO c1cnn(C2CC[NH+](Cc3cnon3)CC2)c1 ZINC000851765605 588624946 /nfs/dbraw/zinc/62/49/46/588624946.db2.gz WXRFVBNTHGBHKA-UHFFFAOYSA-N 1 2 233.275 1.103 20 0 BDADLO C[N@H+](CCc1ccccc1F)Cc1cnon1 ZINC000851766682 588625134 /nfs/dbraw/zinc/62/51/34/588625134.db2.gz KTEHVHBIMZHVRK-UHFFFAOYSA-N 1 2 235.262 1.883 20 0 BDADLO C[N@@H+](CCc1ccccc1F)Cc1cnon1 ZINC000851766682 588625135 /nfs/dbraw/zinc/62/51/35/588625135.db2.gz KTEHVHBIMZHVRK-UHFFFAOYSA-N 1 2 235.262 1.883 20 0 BDADLO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cnon2)c1 ZINC000851824564 588633779 /nfs/dbraw/zinc/63/37/79/588633779.db2.gz WGQRWZQQCXZLCM-NSHDSACASA-N 1 2 218.260 1.735 20 0 BDADLO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cnon2)c1 ZINC000851824564 588633780 /nfs/dbraw/zinc/63/37/80/588633780.db2.gz WGQRWZQQCXZLCM-NSHDSACASA-N 1 2 218.260 1.735 20 0 BDADLO COC(=O)C[N@H+](C[C@H]1COC(C)(C)O1)C(C)C ZINC000851826773 588633805 /nfs/dbraw/zinc/63/38/05/588633805.db2.gz XGFSHZLTFDYRPZ-JTQLQIEISA-N 1 2 245.319 1.021 20 0 BDADLO COC(=O)C[N@@H+](C[C@H]1COC(C)(C)O1)C(C)C ZINC000851826773 588633806 /nfs/dbraw/zinc/63/38/06/588633806.db2.gz XGFSHZLTFDYRPZ-JTQLQIEISA-N 1 2 245.319 1.021 20 0 BDADLO Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)nc(C)n1 ZINC000851839521 588634404 /nfs/dbraw/zinc/63/44/04/588634404.db2.gz WHJAFYVKIQFFLU-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1cc(C[N@H+]2CCC3(C2)OCCO3)nc(C)n1 ZINC000851839521 588634405 /nfs/dbraw/zinc/63/44/05/588634405.db2.gz WHJAFYVKIQFFLU-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H](NC(=O)OC1CCC1)c1[nH+]ccn1C ZINC000851855735 588635418 /nfs/dbraw/zinc/63/54/18/588635418.db2.gz VKMZJGOZVDGMGF-QMMMGPOBSA-N 1 2 223.276 1.760 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1cnon1 ZINC000851871410 588636421 /nfs/dbraw/zinc/63/64/21/588636421.db2.gz PPAKPCFKRMDDRF-UHFFFAOYSA-N 1 2 218.260 1.139 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1cnon1 ZINC000851871410 588636422 /nfs/dbraw/zinc/63/64/22/588636422.db2.gz PPAKPCFKRMDDRF-UHFFFAOYSA-N 1 2 218.260 1.139 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccccc1 ZINC000851873952 588638292 /nfs/dbraw/zinc/63/82/92/588638292.db2.gz VKZPRPKKHQPYMH-GFCCVEGCSA-N 1 2 231.299 1.575 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccccc1 ZINC000851873952 588638293 /nfs/dbraw/zinc/63/82/93/588638293.db2.gz VKZPRPKKHQPYMH-GFCCVEGCSA-N 1 2 231.299 1.575 20 0 BDADLO NC(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000851880539 588639484 /nfs/dbraw/zinc/63/94/84/588639484.db2.gz BJOZNTGHEMYAFV-LURJTMIESA-N 1 2 238.118 1.048 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cnon1 ZINC000851902419 588641871 /nfs/dbraw/zinc/64/18/71/588641871.db2.gz LVSNGVSZSXJDCH-LURJTMIESA-N 1 2 222.248 1.525 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000851894259 588641921 /nfs/dbraw/zinc/64/19/21/588641921.db2.gz XEOFLMWDDIWYGS-ZDUSSCGKSA-N 1 2 246.314 1.121 20 0 BDADLO FC(F)O[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851916188 588643364 /nfs/dbraw/zinc/64/33/64/588643364.db2.gz ZPLWVZPYJQOJFV-QMMMGPOBSA-N 1 2 233.218 1.273 20 0 BDADLO FC(F)O[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851916188 588643365 /nfs/dbraw/zinc/64/33/65/588643365.db2.gz ZPLWVZPYJQOJFV-QMMMGPOBSA-N 1 2 233.218 1.273 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2cnon2)cn1 ZINC000851930980 588644876 /nfs/dbraw/zinc/64/48/76/588644876.db2.gz IJNUCMHAFHAVRT-VIFPVBQESA-N 1 2 235.291 1.698 20 0 BDADLO CO[C@@H]1CC[C@H]([N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000851975493 588650538 /nfs/dbraw/zinc/65/05/38/588650538.db2.gz IKSQECGGFMRCSU-LPEHRKFASA-N 1 2 235.274 1.256 20 0 BDADLO CO[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000851975493 588650539 /nfs/dbraw/zinc/65/05/39/588650539.db2.gz IKSQECGGFMRCSU-LPEHRKFASA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnon1 ZINC000851998529 588653588 /nfs/dbraw/zinc/65/35/88/588653588.db2.gz UUDBNKOZGIBQHD-XPUUQOCRSA-N 1 2 235.209 1.842 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnon1 ZINC000851998529 588653589 /nfs/dbraw/zinc/65/35/89/588653589.db2.gz UUDBNKOZGIBQHD-XPUUQOCRSA-N 1 2 235.209 1.842 20 0 BDADLO O=C1CC[C@H](C[N@H+]2CCOC[C@H]2CC(F)F)O1 ZINC000852047032 588657378 /nfs/dbraw/zinc/65/73/78/588657378.db2.gz UCYAQQVFNUBXEE-RKDXNWHRSA-N 1 2 249.257 1.048 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2CCOC[C@H]2CC(F)F)O1 ZINC000852047032 588657379 /nfs/dbraw/zinc/65/73/79/588657379.db2.gz UCYAQQVFNUBXEE-RKDXNWHRSA-N 1 2 249.257 1.048 20 0 BDADLO Cc1nc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)co1 ZINC000852296604 588677154 /nfs/dbraw/zinc/67/71/54/588677154.db2.gz ZEYKZOMZHIKWRT-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO Cc1nc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)co1 ZINC000852296604 588677155 /nfs/dbraw/zinc/67/71/55/588677155.db2.gz ZEYKZOMZHIKWRT-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000852320827 588678362 /nfs/dbraw/zinc/67/83/62/588678362.db2.gz PJVVMTOMWNVTLV-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC(C)(C)F ZINC000852341934 588679067 /nfs/dbraw/zinc/67/90/67/588679067.db2.gz AEZLMSJKBLWRET-UHFFFAOYSA-N 1 2 242.298 1.358 20 0 BDADLO CC[C@@H](NC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000852343920 588679134 /nfs/dbraw/zinc/67/91/34/588679134.db2.gz IRGVCBNROAHDOT-LLVKDONJSA-N 1 2 236.319 1.408 20 0 BDADLO CC[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000852363707 588680042 /nfs/dbraw/zinc/68/00/42/588680042.db2.gz SYYGHFKAFXFVKK-WDEREUQCSA-N 1 2 248.330 1.816 20 0 BDADLO CCC(=O)CC[N@H+](C)Cc1nnc(C)o1 ZINC000852471542 588683316 /nfs/dbraw/zinc/68/33/16/588683316.db2.gz UYULNVHLDAADOL-UHFFFAOYSA-N 1 2 211.265 1.179 20 0 BDADLO CCC(=O)CC[N@@H+](C)Cc1nnc(C)o1 ZINC000852471542 588683317 /nfs/dbraw/zinc/68/33/17/588683317.db2.gz UYULNVHLDAADOL-UHFFFAOYSA-N 1 2 211.265 1.179 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)N[C@H]1C=CCC1 ZINC000852507518 588687047 /nfs/dbraw/zinc/68/70/47/588687047.db2.gz CUNAHUFZFWFJJL-NSHDSACASA-N 1 2 246.314 1.511 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cnc(Cl)s1)CC2 ZINC000852537186 588689328 /nfs/dbraw/zinc/68/93/28/588689328.db2.gz UOCQWFIYDQINDS-OIBJUYFYSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cnc(Cl)s1)CC2 ZINC000852537186 588689329 /nfs/dbraw/zinc/68/93/29/588689329.db2.gz UOCQWFIYDQINDS-OIBJUYFYSA-N 1 2 244.747 1.753 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1coc(C)n1 ZINC000852568932 588691045 /nfs/dbraw/zinc/69/10/45/588691045.db2.gz VZKBDPILMPHMBK-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1coc(C)n1 ZINC000852568932 588691046 /nfs/dbraw/zinc/69/10/46/588691046.db2.gz VZKBDPILMPHMBK-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C12CC(C1)C2 ZINC000860684460 589114597 /nfs/dbraw/zinc/11/45/97/589114597.db2.gz VWSZMRVKUVBKDU-UHFFFAOYSA-N 1 2 234.299 1.696 20 0 BDADLO O=C(OCC[NH+]1CCC1)c1ccc(F)s1 ZINC000861390657 589164019 /nfs/dbraw/zinc/16/40/19/589164019.db2.gz RLUSCBYFXCHDNR-UHFFFAOYSA-N 1 2 229.276 1.750 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCCO1 ZINC000861763443 589176891 /nfs/dbraw/zinc/17/68/91/589176891.db2.gz QVOZJTYPSNXOIC-CYBMUJFWSA-N 1 2 249.314 1.254 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCCO1 ZINC000861763443 589176892 /nfs/dbraw/zinc/17/68/92/589176892.db2.gz QVOZJTYPSNXOIC-CYBMUJFWSA-N 1 2 249.314 1.254 20 0 BDADLO CC1(OCC(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000861760718 589177136 /nfs/dbraw/zinc/17/71/36/589177136.db2.gz MSDUIDJRTQWNGA-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO CC1(OCC(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000861760718 589177137 /nfs/dbraw/zinc/17/71/37/589177137.db2.gz MSDUIDJRTQWNGA-UHFFFAOYSA-N 1 2 249.314 1.254 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NOCC1CC1)CC2 ZINC000861823182 589179071 /nfs/dbraw/zinc/17/90/71/589179071.db2.gz FFMZEDHSNNKOCA-NSHDSACASA-N 1 2 249.314 1.212 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC3(CC3)C1)CC2 ZINC000861854754 589180958 /nfs/dbraw/zinc/18/09/58/589180958.db2.gz REQGJZFQPXWMGY-NSHDSACASA-N 1 2 245.326 1.376 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccnc(F)c1C ZINC000862220820 589195282 /nfs/dbraw/zinc/19/52/82/589195282.db2.gz QKYYTWHMNDEROM-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccnc(F)c1C ZINC000862220820 589195283 /nfs/dbraw/zinc/19/52/83/589195283.db2.gz QKYYTWHMNDEROM-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000862247391 589196575 /nfs/dbraw/zinc/19/65/75/589196575.db2.gz UCUFMQBAIOYWGJ-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000862247391 589196576 /nfs/dbraw/zinc/19/65/76/589196576.db2.gz UCUFMQBAIOYWGJ-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO Cc1[nH]c(CN2CC[C@@](O)(C(F)F)C2)[nH+]c1C ZINC000862383570 589206911 /nfs/dbraw/zinc/20/69/11/589206911.db2.gz CPJQVBAWTKZSCN-NSHDSACASA-N 1 2 245.273 1.228 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)[nH]c1C ZINC000862383570 589206912 /nfs/dbraw/zinc/20/69/12/589206912.db2.gz CPJQVBAWTKZSCN-NSHDSACASA-N 1 2 245.273 1.228 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@](O)(C(F)F)C2)[nH]c1C ZINC000862383570 589206913 /nfs/dbraw/zinc/20/69/13/589206913.db2.gz CPJQVBAWTKZSCN-NSHDSACASA-N 1 2 245.273 1.228 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000862408291 589209695 /nfs/dbraw/zinc/20/96/95/589209695.db2.gz GLSLFVYLLCMIBG-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC3=C(CCC(=O)N3)C2)n1 ZINC000862408291 589209697 /nfs/dbraw/zinc/20/96/97/589209697.db2.gz GLSLFVYLLCMIBG-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO COCC[N@H+](CCF)Cc1cnc(C2CC2)o1 ZINC000862411837 589211157 /nfs/dbraw/zinc/21/11/57/589211157.db2.gz KDHULVFWDXXPGE-UHFFFAOYSA-N 1 2 242.294 1.970 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnc(C2CC2)o1 ZINC000862411837 589211158 /nfs/dbraw/zinc/21/11/58/589211158.db2.gz KDHULVFWDXXPGE-UHFFFAOYSA-N 1 2 242.294 1.970 20 0 BDADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1ccccc1 ZINC000864399170 589358607 /nfs/dbraw/zinc/35/86/07/589358607.db2.gz FCQFRGGDTBYKIO-QPJJXVBHSA-N 1 2 246.310 1.514 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000864414093 589360003 /nfs/dbraw/zinc/36/00/03/589360003.db2.gz ZISSWUXVSFTRCS-XQHKEYJVSA-N 1 2 247.342 1.682 20 0 BDADLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C1CC1 ZINC000864644661 589387156 /nfs/dbraw/zinc/38/71/56/589387156.db2.gz HRPRJGUVROVPAI-GFCCVEGCSA-N 1 2 236.319 1.051 20 0 BDADLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C1CC1 ZINC000864644661 589387157 /nfs/dbraw/zinc/38/71/57/589387157.db2.gz HRPRJGUVROVPAI-GFCCVEGCSA-N 1 2 236.319 1.051 20 0 BDADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCCCC1 ZINC000864678563 589389094 /nfs/dbraw/zinc/38/90/94/589389094.db2.gz UBPAXASRZQKYKO-LLVKDONJSA-N 1 2 237.303 1.234 20 0 BDADLO CCC(C)(C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864722019 589391096 /nfs/dbraw/zinc/39/10/96/589391096.db2.gz CWUSRJMNSBKFAD-AATRIKPKSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864885269 589399542 /nfs/dbraw/zinc/39/95/42/589399542.db2.gz VPKBSVDWPOGNRD-BABIGQSTSA-N 1 2 225.267 1.651 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000865046543 589406129 /nfs/dbraw/zinc/40/61/29/589406129.db2.gz WWGYUEZRGCRGPG-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865046543 589406131 /nfs/dbraw/zinc/40/61/31/589406131.db2.gz WWGYUEZRGCRGPG-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865041594 589406443 /nfs/dbraw/zinc/40/64/43/589406443.db2.gz BXJSWRFQLVUJHG-KOLCDFICSA-N 1 2 237.303 1.092 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000865140549 589410698 /nfs/dbraw/zinc/41/06/98/589410698.db2.gz GLUAIOIZIIMYHN-LDYMZIIASA-N 1 2 247.273 1.541 20 0 BDADLO COC/C=C/C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865159020 589412030 /nfs/dbraw/zinc/41/20/30/589412030.db2.gz NUEDQAQKURMCFJ-PYEVWLCESA-N 1 2 249.314 1.249 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865411549 589434361 /nfs/dbraw/zinc/43/43/61/589434361.db2.gz FLWYWHDCIIJUJZ-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N)n2)cc1F ZINC000865421007 589434825 /nfs/dbraw/zinc/43/48/25/589434825.db2.gz BZHDTAUSLUEHFY-UHFFFAOYSA-N 1 2 247.277 1.822 20 0 BDADLO Cc1ccc(CNc2nc(N)nc(C)[nH+]2)cc1F ZINC000865421007 589434826 /nfs/dbraw/zinc/43/48/26/589434826.db2.gz BZHDTAUSLUEHFY-UHFFFAOYSA-N 1 2 247.277 1.822 20 0 BDADLO CN(C)c1ccc(F)cc1C[NH2+]Cc1cc[nH]n1 ZINC000865454492 589437137 /nfs/dbraw/zinc/43/71/37/589437137.db2.gz ACZVTCBUNVORBF-UHFFFAOYSA-N 1 2 248.305 1.905 20 0 BDADLO COc1cc(NCc2cn(C3CC3)c[nH+]2)nn1C ZINC000865532223 589443426 /nfs/dbraw/zinc/44/34/26/589443426.db2.gz VJRHSDVBNRSUTQ-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO C[C@H](CCO)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865547955 589445264 /nfs/dbraw/zinc/44/52/64/589445264.db2.gz QKQDDWKYNWVJIY-ZCFIWIBFSA-N 1 2 240.694 1.216 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccnc2F)on1 ZINC000865548614 589445331 /nfs/dbraw/zinc/44/53/31/589445331.db2.gz KKXDMBRLCLAYQR-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO C[C@H](O)c1ccc(N[C@H](CCO)C2CC2)[nH+]c1 ZINC000865551265 589445650 /nfs/dbraw/zinc/44/56/50/589445650.db2.gz AXJBNZFAXLNVQU-JOYOIKCWSA-N 1 2 236.315 1.708 20 0 BDADLO Nc1nc(N[C@H]2CCOC2)nc(C2CCCC2)[nH+]1 ZINC000865635814 589453193 /nfs/dbraw/zinc/45/31/93/589453193.db2.gz HKAQJXFBDBZSDN-VIFPVBQESA-N 1 2 249.318 1.312 20 0 BDADLO Nc1nc(N[C@H]2CCOC2)[nH+]c(C2CCCC2)n1 ZINC000865635814 589453194 /nfs/dbraw/zinc/45/31/94/589453194.db2.gz HKAQJXFBDBZSDN-VIFPVBQESA-N 1 2 249.318 1.312 20 0 BDADLO COC[C@H](O)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865766160 589461509 /nfs/dbraw/zinc/46/15/09/589461509.db2.gz CUDTURRPZBTAIR-LLVKDONJSA-N 1 2 239.319 1.094 20 0 BDADLO CCCCc1cc(N[C@@H]2COC(=O)C2)nc[nH+]1 ZINC000865820167 589463303 /nfs/dbraw/zinc/46/33/03/589463303.db2.gz LFWUODMJYLRAQV-JTQLQIEISA-N 1 2 235.287 1.547 20 0 BDADLO c1cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)[nH]n1 ZINC000865857895 589465319 /nfs/dbraw/zinc/46/53/19/589465319.db2.gz ZOSDWNPRUHDSCX-GFCCVEGCSA-N 1 2 235.331 1.991 20 0 BDADLO CSCCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000120795927 589466405 /nfs/dbraw/zinc/46/64/05/589466405.db2.gz MSTOMCYEXULFIQ-SECBINFHSA-N 1 2 249.401 1.330 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]c1 ZINC000865908132 589468256 /nfs/dbraw/zinc/46/82/56/589468256.db2.gz OYQLMIVQFAPYRF-GMNPVEAJSA-N 1 2 234.299 1.867 20 0 BDADLO CCCNc1cc(N[C@@H](CO)CCF)nc[nH+]1 ZINC000865910784 589468290 /nfs/dbraw/zinc/46/82/90/589468290.db2.gz IIRYICYDTXHOHF-SECBINFHSA-N 1 2 242.298 1.431 20 0 BDADLO CCCNc1cc(N[C@@H](CO)CCF)[nH+]cn1 ZINC000865910784 589468291 /nfs/dbraw/zinc/46/82/91/589468291.db2.gz IIRYICYDTXHOHF-SECBINFHSA-N 1 2 242.298 1.431 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H](CO)CCF)[nH+]c1 ZINC000865910605 589468299 /nfs/dbraw/zinc/46/82/99/589468299.db2.gz FRLATPCLBPCUOM-PSASIEDQSA-N 1 2 228.267 1.267 20 0 BDADLO CCc1cc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)nc[nH+]1 ZINC000866043478 589473731 /nfs/dbraw/zinc/47/37/31/589473731.db2.gz KSSIUZCXQQRTIP-NYUATFKOSA-N 1 2 245.326 1.874 20 0 BDADLO Cc1nc(N[C@@H](C)c2nnnn2C2CC2)cc[nH+]1 ZINC000866154783 589478114 /nfs/dbraw/zinc/47/81/14/589478114.db2.gz OTPFRBFFIONPJG-ZETCQYMHSA-N 1 2 245.290 1.280 20 0 BDADLO Cc1nc(N2C[C@@H](O)CC(C)(C)C2)cc[nH+]1 ZINC000866226652 589481661 /nfs/dbraw/zinc/48/16/61/589481661.db2.gz NPTDTXDTOPXIHH-JTQLQIEISA-N 1 2 221.304 1.382 20 0 BDADLO CN1CCN(c2ncccn2)Cc2ccc[nH+]c21 ZINC000866292072 589484557 /nfs/dbraw/zinc/48/45/57/589484557.db2.gz GJMWRQQGFVKMHJ-UHFFFAOYSA-N 1 2 241.298 1.328 20 0 BDADLO CCON(CC)c1[nH+]cnc2[nH]ccc21 ZINC000866305996 589485270 /nfs/dbraw/zinc/48/52/70/589485270.db2.gz BCFPZBPNMRMIKR-UHFFFAOYSA-N 1 2 206.249 1.736 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ncc[nH]1 ZINC000866634901 589506148 /nfs/dbraw/zinc/50/61/48/589506148.db2.gz VJHRDKCBYOOMNA-UWVGGRQHSA-N 1 2 231.303 1.792 20 0 BDADLO CC/C=C(\F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000866744391 589517142 /nfs/dbraw/zinc/51/71/42/589517142.db2.gz LXRLBCADCLFJHJ-WZUFQYTHSA-N 1 2 239.294 1.995 20 0 BDADLO Cc1cccc(C)c1CNC(=O)Cn1cc[nH+]c1 ZINC000121792173 589532604 /nfs/dbraw/zinc/53/26/04/589532604.db2.gz YAEQFPAINLBHPQ-UHFFFAOYSA-N 1 2 243.310 1.816 20 0 BDADLO COC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000867752217 589532983 /nfs/dbraw/zinc/53/29/83/589532983.db2.gz UINZIUHHGFYTAT-LLVKDONJSA-N 1 2 247.298 1.632 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCC1CCC1 ZINC000868386140 589556549 /nfs/dbraw/zinc/55/65/49/589556549.db2.gz CVLYAUJFAQNWML-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CC/C=C(\F)C(=O)NCc1c[nH+]cn1C ZINC000868412790 589557344 /nfs/dbraw/zinc/55/73/44/589557344.db2.gz IJGVSCFNKOMXFI-WTKPLQERSA-N 1 2 211.240 1.300 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC(C2CC2)CC1 ZINC000868516586 589561830 /nfs/dbraw/zinc/56/18/30/589561830.db2.gz CNEXTGUETAEQCE-GFCCVEGCSA-N 1 2 249.314 1.092 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000868525298 589562726 /nfs/dbraw/zinc/56/27/26/589562726.db2.gz SGPSPWIQUMHHNA-ZJUUUORDSA-N 1 2 236.319 1.740 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1C(F)F ZINC000868606611 589566259 /nfs/dbraw/zinc/56/62/59/589566259.db2.gz XRYRHPPOLRBGKU-MRVPVSSYSA-N 1 2 229.230 1.127 20 0 BDADLO Cc1conc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620241 589568176 /nfs/dbraw/zinc/56/81/76/589568176.db2.gz QKQTUPIRUDHKSF-MRVPVSSYSA-N 1 2 232.243 1.054 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NOC/C=C/Cl ZINC000868633083 589569434 /nfs/dbraw/zinc/56/94/34/589569434.db2.gz VKUJUMDEBPKISX-NSCUHMNNSA-N 1 2 244.682 1.235 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000868662951 589571579 /nfs/dbraw/zinc/57/15/79/589571579.db2.gz WDZSZKHXXJFTPW-DDHJBXDOSA-N 1 2 247.342 1.811 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000868838449 589579088 /nfs/dbraw/zinc/57/90/88/589579088.db2.gz DYYJRBIGFSOILU-MGAJPHDKSA-N 1 2 247.342 1.371 20 0 BDADLO COc1cccnc1C(=O)OCCn1cc[nH+]c1 ZINC000869605002 589615824 /nfs/dbraw/zinc/61/58/24/589615824.db2.gz PNUUAUVFNBQVJP-UHFFFAOYSA-N 1 2 247.254 1.144 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000869888655 589636182 /nfs/dbraw/zinc/63/61/82/589636182.db2.gz TTYCWLZWFCMUSE-KLHWPWHYSA-N 1 2 246.310 1.999 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC1CCC1 ZINC000122975377 589646887 /nfs/dbraw/zinc/64/68/87/589646887.db2.gz RWOTWOJVPIUIES-UHFFFAOYSA-N 1 2 231.303 1.965 20 0 BDADLO c1cn(Cc2nc3c(o2)CCCC3)c[nH+]1 ZINC000871664401 589785150 /nfs/dbraw/zinc/78/51/50/589785150.db2.gz VRURRVNCHNVKNK-UHFFFAOYSA-N 1 2 203.245 1.798 20 0 BDADLO CC[S@@](=O)CCNc1cc(C(C)C)[nH+]cn1 ZINC000123724032 589785753 /nfs/dbraw/zinc/78/57/53/589785753.db2.gz WMWZHUVMGNKIDX-INIZCTEOSA-N 1 2 241.360 1.781 20 0 BDADLO NC(=[NH+]OC1CC(CF)(CF)C1)[C@@H]1CCCO1 ZINC000871749535 589805090 /nfs/dbraw/zinc/80/50/90/589805090.db2.gz YIIYQMRRJMAUFV-VIFPVBQESA-N 1 2 248.273 1.752 20 0 BDADLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778632 589813514 /nfs/dbraw/zinc/81/35/14/589813514.db2.gz QTHMPWZHLVWROJ-VHSXEESVSA-N 1 2 242.319 1.479 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)COC1CCC1 ZINC000871778301 589813688 /nfs/dbraw/zinc/81/36/88/589813688.db2.gz BPDSUUQEEWAONB-MRVPVSSYSA-N 1 2 216.281 1.089 20 0 BDADLO COCCCO[NH+]=C(N)COC1CCC1 ZINC000871775716 589814081 /nfs/dbraw/zinc/81/40/81/589814081.db2.gz PDLRAJCCEROMFF-UHFFFAOYSA-N 1 2 216.281 1.090 20 0 BDADLO COC1(CO[NH+]=C(N)COC2CCC2)CCC1 ZINC000871778596 589814109 /nfs/dbraw/zinc/81/41/09/589814109.db2.gz PIJUBGGVXRGPDE-UHFFFAOYSA-N 1 2 242.319 1.623 20 0 BDADLO CCOCCO[NH+]=C(N)COC1CCC1 ZINC000871776192 589814125 /nfs/dbraw/zinc/81/41/25/589814125.db2.gz SYAXUCZYFWKAJB-UHFFFAOYSA-N 1 2 216.281 1.090 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccnn2C)n1 ZINC000871927679 589832937 /nfs/dbraw/zinc/83/29/37/589832937.db2.gz OJSQUWGMZGLCON-SFYZADRCSA-N 1 2 235.291 1.523 20 0 BDADLO O=c1c2c([nH]n1CC1CCCCC1)CC[NH2+]C2 ZINC000871943937 589837950 /nfs/dbraw/zinc/83/79/50/589837950.db2.gz CWUPDYCQDFTEMH-LLVKDONJSA-N 1 2 235.331 1.374 20 0 BDADLO CCC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H]1F ZINC000871962688 589847521 /nfs/dbraw/zinc/84/75/21/589847521.db2.gz GPGZEPMCWXTREE-SNVBAGLBSA-N 1 2 238.266 1.220 20 0 BDADLO Cn1c[nH+]cc1CNc1ccnn1CC1CC1 ZINC000123925409 589861649 /nfs/dbraw/zinc/86/16/49/589861649.db2.gz DDUYCTDJIQTWSD-UHFFFAOYSA-N 1 2 231.303 1.639 20 0 BDADLO CC[NH2+]Cc1noc(C2(C(F)F)CCC2)n1 ZINC000872171456 589887863 /nfs/dbraw/zinc/88/78/63/589887863.db2.gz RFIWPWWFFYNHIV-UHFFFAOYSA-N 1 2 231.246 1.866 20 0 BDADLO O=C1N(C[N@H+]2CC[C@@H](F)C2)CCC12CCC2 ZINC000872615862 589956922 /nfs/dbraw/zinc/95/69/22/589956922.db2.gz RHUUQGYRGNQGPK-SNVBAGLBSA-N 1 2 226.295 1.390 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@@H](F)C2)CCC12CCC2 ZINC000872615862 589956923 /nfs/dbraw/zinc/95/69/23/589956923.db2.gz RHUUQGYRGNQGPK-SNVBAGLBSA-N 1 2 226.295 1.390 20 0 BDADLO CN(C)c1ccc([NH2+][C@H]2CCNC(=O)CC2)cc1 ZINC000873081373 589983296 /nfs/dbraw/zinc/98/32/96/589983296.db2.gz CVEKYBRAUDLGEO-GFCCVEGCSA-N 1 2 247.342 1.833 20 0 BDADLO C[NH+](C)c1ccc(N[C@H]2CCNC(=O)CC2)cc1 ZINC000873081373 589983299 /nfs/dbraw/zinc/98/32/99/589983299.db2.gz CVEKYBRAUDLGEO-GFCCVEGCSA-N 1 2 247.342 1.833 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2nccnc2C)[nH+]c1C ZINC000873186653 589990894 /nfs/dbraw/zinc/99/08/94/589990894.db2.gz UGWKTQWGRBRCEM-NSHDSACASA-N 1 2 245.330 1.976 20 0 BDADLO CCn1ncc(NCc2[nH]cc[nH+]2)c1C ZINC000873196262 589991144 /nfs/dbraw/zinc/99/11/44/589991144.db2.gz QWBFJVGOLIQYLV-UHFFFAOYSA-N 1 2 205.265 1.547 20 0 BDADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)=O ZINC000873359293 590029618 /nfs/dbraw/zinc/02/96/18/590029618.db2.gz BPEMQQBHNLBLCW-VXGBXAGGSA-N 1 2 241.331 1.772 20 0 BDADLO CC[C@@H](OC(=O)[C@H]1CCCC[N@H+]1CC)C(C)=O ZINC000873359293 590029621 /nfs/dbraw/zinc/02/96/21/590029621.db2.gz BPEMQQBHNLBLCW-VXGBXAGGSA-N 1 2 241.331 1.772 20 0 BDADLO CC[C@@H](OC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)=O ZINC000873391828 590036839 /nfs/dbraw/zinc/03/68/39/590036839.db2.gz RVMWQEJRVIDWJO-GHMZBOCLSA-N 1 2 229.320 1.483 20 0 BDADLO CC(C)CONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000124537562 590048014 /nfs/dbraw/zinc/04/80/14/590048014.db2.gz WXCQEYWBRBGEBO-JTQLQIEISA-N 1 2 237.303 1.149 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124693365 590076004 /nfs/dbraw/zinc/07/60/04/590076004.db2.gz BIJNTDMGHNRSMC-GFCCVEGCSA-N 1 2 229.320 1.177 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124693365 590076006 /nfs/dbraw/zinc/07/60/06/590076006.db2.gz BIJNTDMGHNRSMC-GFCCVEGCSA-N 1 2 229.320 1.177 20 0 BDADLO CCC[C@@H](CC)C(=O)NCCn1cc[nH+]c1 ZINC000874012638 590084921 /nfs/dbraw/zinc/08/49/21/590084921.db2.gz XBMDJUVDDRDFLJ-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000020294654 590097345 /nfs/dbraw/zinc/09/73/45/590097345.db2.gz DYDIDFFZUNMWAW-SECBINFHSA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000020294654 590097348 /nfs/dbraw/zinc/09/73/48/590097348.db2.gz DYDIDFFZUNMWAW-SECBINFHSA-N 1 2 239.706 1.185 20 0 BDADLO C[C@H](O)c1ccc(N2CCC(O)CC2)[nH+]c1 ZINC000124899614 590098259 /nfs/dbraw/zinc/09/82/59/590098259.db2.gz YBGSHZAVPGMSBD-VIFPVBQESA-N 1 2 222.288 1.096 20 0 BDADLO COCCCN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124938413 590102590 /nfs/dbraw/zinc/10/25/90/590102590.db2.gz LIAPSYNFQWLXEA-SNVBAGLBSA-N 1 2 224.304 1.608 20 0 BDADLO CCn1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1C ZINC000874444860 590111204 /nfs/dbraw/zinc/11/12/04/590111204.db2.gz QGELKLDZCNJCLZ-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874701021 590124170 /nfs/dbraw/zinc/12/41/70/590124170.db2.gz QOILYYUMVZVOKT-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874701021 590124172 /nfs/dbraw/zinc/12/41/72/590124172.db2.gz QOILYYUMVZVOKT-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874701024 590124481 /nfs/dbraw/zinc/12/44/81/590124481.db2.gz QOILYYUMVZVOKT-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874701024 590124482 /nfs/dbraw/zinc/12/44/82/590124482.db2.gz QOILYYUMVZVOKT-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CCC2 ZINC000874777017 590129010 /nfs/dbraw/zinc/12/90/10/590129010.db2.gz IBYBBLNHGCHTDI-ONGXEEELSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CCC2 ZINC000874777017 590129011 /nfs/dbraw/zinc/12/90/11/590129011.db2.gz IBYBBLNHGCHTDI-ONGXEEELSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000875519234 590165059 /nfs/dbraw/zinc/16/50/59/590165059.db2.gz ZLYQTFYKOSHJLT-VWYCJHECSA-N 1 2 248.330 1.296 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Nc1ncccn1 ZINC000888701959 590188514 /nfs/dbraw/zinc/18/85/14/590188514.db2.gz IVUFQMBXVXOKQC-UHFFFAOYSA-N 1 2 246.274 1.015 20 0 BDADLO C[C@H]1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)CO1 ZINC000888712527 590192617 /nfs/dbraw/zinc/19/26/17/590192617.db2.gz DUHOVCDITHHQBJ-FJJSSXBZSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H]1CC2(CC(NC(=O)Cc3c[nH+]c[nH]3)C2)CO1 ZINC000888712527 590192618 /nfs/dbraw/zinc/19/26/18/590192618.db2.gz DUHOVCDITHHQBJ-FJJSSXBZSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)N[C@H]1Cc2c[nH+]cn2C1 ZINC000876421671 590197983 /nfs/dbraw/zinc/19/79/83/590197983.db2.gz VRTPZQZGFAEMKE-GXSJLCMTSA-N 1 2 246.314 1.050 20 0 BDADLO CCCn1cc(C[N@H+](CCCO)C2CC2)nn1 ZINC000876731654 590234305 /nfs/dbraw/zinc/23/43/05/590234305.db2.gz MGWFJPGLQCHSNT-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1cc(C[N@@H+](CCCO)C2CC2)nn1 ZINC000876731654 590234307 /nfs/dbraw/zinc/23/43/07/590234307.db2.gz MGWFJPGLQCHSNT-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(Cl)nn1 ZINC000876740622 590235383 /nfs/dbraw/zinc/23/53/83/590235383.db2.gz JVPFCAMDHMRJCI-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Cl)nn1 ZINC000876740622 590235386 /nfs/dbraw/zinc/23/53/86/590235386.db2.gz JVPFCAMDHMRJCI-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO Cc1[nH]c(C(=O)NC2CC3(C2)CO[C@H](C)C3)c[nH+]1 ZINC000888732340 590238974 /nfs/dbraw/zinc/23/89/74/590238974.db2.gz ONVBTVUGBHWHBP-NCZMNARYSA-N 1 2 249.314 1.406 20 0 BDADLO CC(C)=CCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000126201933 590252459 /nfs/dbraw/zinc/25/24/59/590252459.db2.gz WFXSSLACTBHVKZ-LLVKDONJSA-N 1 2 243.372 1.933 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nnn1C[C@H]1CCCO1 ZINC000877168647 590295759 /nfs/dbraw/zinc/29/57/59/590295759.db2.gz YRTSFRIUQOHYKX-CYBMUJFWSA-N 1 2 248.330 1.219 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nnn1C[C@H]1CCCO1 ZINC000877168647 590295760 /nfs/dbraw/zinc/29/57/60/590295760.db2.gz YRTSFRIUQOHYKX-CYBMUJFWSA-N 1 2 248.330 1.219 20 0 BDADLO CC1(C[N@@H+]2CCn3c(n[nH]c3=O)C2)CCCC1 ZINC000877350246 590319200 /nfs/dbraw/zinc/31/92/00/590319200.db2.gz IVKPBSHZOZFTJD-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO CC1(C[N@H+]2CCn3c(n[nH]c3=O)C2)CCCC1 ZINC000877350246 590319203 /nfs/dbraw/zinc/31/92/03/590319203.db2.gz IVKPBSHZOZFTJD-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO CC1(C[N@@H+]2CCN3C(=O)N=NC3C2)CCCC1 ZINC000877350246 590319206 /nfs/dbraw/zinc/31/92/06/590319206.db2.gz IVKPBSHZOZFTJD-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO CC1(C[N@H+]2CCN3C(=O)N=NC3C2)CCCC1 ZINC000877350246 590319209 /nfs/dbraw/zinc/31/92/09/590319209.db2.gz IVKPBSHZOZFTJD-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000877532603 590348516 /nfs/dbraw/zinc/34/85/16/590348516.db2.gz VRNHKXSPPNVOLW-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000877532603 590348518 /nfs/dbraw/zinc/34/85/18/590348518.db2.gz VRNHKXSPPNVOLW-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO Clc1csc(C[NH2+]C2COCCOC2)n1 ZINC000877546993 590353452 /nfs/dbraw/zinc/35/34/52/590353452.db2.gz NQTIHLFAASJXQM-UHFFFAOYSA-N 1 2 248.735 1.302 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000877549519 590354080 /nfs/dbraw/zinc/35/40/80/590354080.db2.gz FGRSPVNEELNZFZ-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000877549519 590354083 /nfs/dbraw/zinc/35/40/83/590354083.db2.gz FGRSPVNEELNZFZ-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO COc1cccc(C)c1C[NH+]1CC(OC)C1 ZINC000877579474 590364709 /nfs/dbraw/zinc/36/47/09/590364709.db2.gz ZKAZYRRFNJAGGJ-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1ncc[nH]1 ZINC000877672323 590389063 /nfs/dbraw/zinc/38/90/63/590389063.db2.gz BSSWAXSRNHOZCI-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)no1 ZINC000877693676 590392495 /nfs/dbraw/zinc/39/24/95/590392495.db2.gz NSKMYRMWEKCPCZ-HTRCEHHLSA-N 1 2 238.209 1.384 20 0 BDADLO CC1([NH2+]Cc2nc(Cl)cs2)COC1 ZINC000877691170 590393269 /nfs/dbraw/zinc/39/32/69/590393269.db2.gz KBNGLFOZUKDTAO-UHFFFAOYSA-N 1 2 218.709 1.675 20 0 BDADLO CCOC(=O)C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000877701849 590394346 /nfs/dbraw/zinc/39/43/46/590394346.db2.gz BCVYWTXMTFNJHG-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccon2)C1 ZINC000877830990 590428824 /nfs/dbraw/zinc/42/88/24/590428824.db2.gz SPBQCKPGHCSBKO-VIFPVBQESA-N 1 2 238.287 1.306 20 0 BDADLO COCC[N@H+](C)Cc1nccn1CC(F)F ZINC000877982970 590465725 /nfs/dbraw/zinc/46/57/25/590465725.db2.gz GSHXAICJWUNMIB-UHFFFAOYSA-N 1 2 233.262 1.226 20 0 BDADLO COCC[N@@H+](C)Cc1nccn1CC(F)F ZINC000877982970 590465726 /nfs/dbraw/zinc/46/57/26/590465726.db2.gz GSHXAICJWUNMIB-UHFFFAOYSA-N 1 2 233.262 1.226 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1nocc1C ZINC000878035598 590476324 /nfs/dbraw/zinc/47/63/24/590476324.db2.gz ZNFUOYFQBFTIDY-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1nocc1C ZINC000878035598 590476326 /nfs/dbraw/zinc/47/63/26/590476326.db2.gz ZNFUOYFQBFTIDY-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000878044243 590479229 /nfs/dbraw/zinc/47/92/29/590479229.db2.gz JLJHYCVGBKRXAZ-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1nccn1CC(F)F ZINC000878054296 590483145 /nfs/dbraw/zinc/48/31/45/590483145.db2.gz AVIQCFNNAWHUML-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1nccn1CC(F)F ZINC000878054296 590483146 /nfs/dbraw/zinc/48/31/46/590483146.db2.gz AVIQCFNNAWHUML-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000878052997 590483726 /nfs/dbraw/zinc/48/37/26/590483726.db2.gz UCZWHYPWDMTNQN-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1conc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000878052997 590483727 /nfs/dbraw/zinc/48/37/27/590483727.db2.gz UCZWHYPWDMTNQN-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+](C)[C@H]1CCOC1 ZINC000878083875 590488672 /nfs/dbraw/zinc/48/86/72/590488672.db2.gz IPYGYYQNIHGZRL-NSHDSACASA-N 1 2 249.314 1.049 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+](C)[C@H]1CCOC1 ZINC000878083875 590488673 /nfs/dbraw/zinc/48/86/73/590488673.db2.gz IPYGYYQNIHGZRL-NSHDSACASA-N 1 2 249.314 1.049 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@H](O)CC(C)(C)O ZINC000878156762 590509195 /nfs/dbraw/zinc/50/91/95/590509195.db2.gz WMWDZUQEUPCVGP-SECBINFHSA-N 1 2 244.360 1.097 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@H](O)CC(C)(C)O ZINC000878156762 590509197 /nfs/dbraw/zinc/50/91/97/590509197.db2.gz WMWDZUQEUPCVGP-SECBINFHSA-N 1 2 244.360 1.097 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000878290977 590535249 /nfs/dbraw/zinc/53/52/49/590535249.db2.gz FHCZQDQBHACXBI-OSMZGAPFSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000878290977 590535252 /nfs/dbraw/zinc/53/52/52/590535252.db2.gz FHCZQDQBHACXBI-OSMZGAPFSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000878290977 590535254 /nfs/dbraw/zinc/53/52/54/590535254.db2.gz FHCZQDQBHACXBI-OSMZGAPFSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000878290977 590535257 /nfs/dbraw/zinc/53/52/57/590535257.db2.gz FHCZQDQBHACXBI-OSMZGAPFSA-N 1 2 247.342 1.725 20 0 BDADLO Cc1conc1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000878304540 590538358 /nfs/dbraw/zinc/53/83/58/590538358.db2.gz NLYSMNOMNCMLDB-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1conc1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000878304540 590538360 /nfs/dbraw/zinc/53/83/60/590538360.db2.gz NLYSMNOMNCMLDB-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCC2(CCC2)O1 ZINC000878315572 590542011 /nfs/dbraw/zinc/54/20/11/590542011.db2.gz RKEILIRONOXQBW-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCC2(CCC2)O1 ZINC000878315572 590542013 /nfs/dbraw/zinc/54/20/13/590542013.db2.gz RKEILIRONOXQBW-NSHDSACASA-N 1 2 235.331 1.943 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1nocc1C ZINC000878318571 590543510 /nfs/dbraw/zinc/54/35/10/590543510.db2.gz VMMORWAARFQRTB-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1nocc1C ZINC000878318571 590543511 /nfs/dbraw/zinc/54/35/11/590543511.db2.gz VMMORWAARFQRTB-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO COC[C@@](C)([NH2+]CCCC1CC1)C(=O)OC ZINC000878332312 590548821 /nfs/dbraw/zinc/54/88/21/590548821.db2.gz BHPIECHWUOXMOP-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1conc1C[N@H+](C)CCc1cnccn1 ZINC000878338297 590550440 /nfs/dbraw/zinc/55/04/40/590550440.db2.gz ZZXXQBQDYYVQLT-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1conc1C[N@@H+](C)CCc1cnccn1 ZINC000878338297 590550443 /nfs/dbraw/zinc/55/04/43/590550443.db2.gz ZZXXQBQDYYVQLT-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CCC(F)(F)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000878406601 590561253 /nfs/dbraw/zinc/56/12/53/590561253.db2.gz ZECIUVIZJGEBNG-UHFFFAOYSA-N 1 2 248.273 1.606 20 0 BDADLO C=C/C=C\CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000878477259 590575418 /nfs/dbraw/zinc/57/54/18/590575418.db2.gz HWWXNSBEEDPISY-XOULXFPDSA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C\CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000878477259 590575419 /nfs/dbraw/zinc/57/54/19/590575419.db2.gz HWWXNSBEEDPISY-XOULXFPDSA-N 1 2 217.259 1.821 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000878512410 590583644 /nfs/dbraw/zinc/58/36/44/590583644.db2.gz BWQNNHLIUHFKAO-NSHDSACASA-N 1 2 242.319 1.201 20 0 BDADLO Cc1conc1C[N@H+](C)[C@@H](CO)COC(C)C ZINC000878512410 590583648 /nfs/dbraw/zinc/58/36/48/590583648.db2.gz BWQNNHLIUHFKAO-NSHDSACASA-N 1 2 242.319 1.201 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000878533969 590588228 /nfs/dbraw/zinc/58/82/28/590588228.db2.gz CJOBEEWMVOIMQO-GWCFXTLKSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000878533969 590588230 /nfs/dbraw/zinc/58/82/30/590588230.db2.gz CJOBEEWMVOIMQO-GWCFXTLKSA-N 1 2 236.315 1.982 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878536756 590588353 /nfs/dbraw/zinc/58/83/53/590588353.db2.gz BRBMRKQCCKZIJL-NOOOWODRSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878536756 590588354 /nfs/dbraw/zinc/58/83/54/590588354.db2.gz BRBMRKQCCKZIJL-NOOOWODRSA-N 1 2 241.331 1.437 20 0 BDADLO C=C/C=C/CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622222 590596926 /nfs/dbraw/zinc/59/69/26/590596926.db2.gz MSTFXQFMSKMWGY-UFFNRZRYSA-N 1 2 248.330 1.822 20 0 BDADLO C=C/C=C/CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622222 590596928 /nfs/dbraw/zinc/59/69/28/590596928.db2.gz MSTFXQFMSKMWGY-UFFNRZRYSA-N 1 2 248.330 1.822 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCCC2CC2)C1 ZINC000878681308 590608614 /nfs/dbraw/zinc/60/86/14/590608614.db2.gz MMLCQNYXBRXXMI-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000878685603 590609379 /nfs/dbraw/zinc/60/93/79/590609379.db2.gz XEFMHBFMDZNJGA-ZJUUUORDSA-N 1 2 239.306 1.341 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000878685603 590609381 /nfs/dbraw/zinc/60/93/81/590609381.db2.gz XEFMHBFMDZNJGA-ZJUUUORDSA-N 1 2 239.306 1.341 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+](CC(F)F)C[C@@H](C)O)C1 ZINC000878684719 590609635 /nfs/dbraw/zinc/60/96/35/590609635.db2.gz YNQHIGHMYXPUHD-BBBLOLIVSA-N 1 2 237.290 1.359 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+](CC(F)F)C[C@@H](C)O)C1 ZINC000878684719 590609636 /nfs/dbraw/zinc/60/96/36/590609636.db2.gz YNQHIGHMYXPUHD-BBBLOLIVSA-N 1 2 237.290 1.359 20 0 BDADLO Clc1ccc2c(c1)C[N@@H+](CCn1cnnn1)C2 ZINC000878702856 590612119 /nfs/dbraw/zinc/61/21/19/590612119.db2.gz CSEDVIDEBZTDQJ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ccc2c(c1)C[N@H+](CCn1cnnn1)C2 ZINC000878702856 590612120 /nfs/dbraw/zinc/61/21/20/590612120.db2.gz CSEDVIDEBZTDQJ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000878776663 590621199 /nfs/dbraw/zinc/62/11/99/590621199.db2.gz PKEBGQGJGBZPHA-JBLDHEPKSA-N 1 2 249.314 1.183 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000878791407 590623599 /nfs/dbraw/zinc/62/35/99/590623599.db2.gz DYALWHFGDBWKFR-SECBINFHSA-N 1 2 214.696 1.093 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CCC=C(Cl)C1 ZINC000878791407 590623600 /nfs/dbraw/zinc/62/36/00/590623600.db2.gz DYALWHFGDBWKFR-SECBINFHSA-N 1 2 214.696 1.093 20 0 BDADLO O=C1CCCN1CC[N@H+]1CCC=C(Cl)C1 ZINC000878794244 590624449 /nfs/dbraw/zinc/62/44/49/590624449.db2.gz WTGUPTZMRXRLMH-UHFFFAOYSA-N 1 2 228.723 1.437 20 0 BDADLO O=C1CCCN1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878794244 590624451 /nfs/dbraw/zinc/62/44/51/590624451.db2.gz WTGUPTZMRXRLMH-UHFFFAOYSA-N 1 2 228.723 1.437 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878884789 590640575 /nfs/dbraw/zinc/64/05/75/590640575.db2.gz LWEBPLJLIVPALX-KGYLQXTDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878884789 590640578 /nfs/dbraw/zinc/64/05/78/590640578.db2.gz LWEBPLJLIVPALX-KGYLQXTDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878884789 590640580 /nfs/dbraw/zinc/64/05/80/590640580.db2.gz LWEBPLJLIVPALX-KGYLQXTDSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878884789 590640583 /nfs/dbraw/zinc/64/05/83/590640583.db2.gz LWEBPLJLIVPALX-KGYLQXTDSA-N 1 2 235.331 1.799 20 0 BDADLO CO[C@H]1C[N@@H+](C2CC(OC(C)(C)C)C2)CCO1 ZINC000878969763 590662652 /nfs/dbraw/zinc/66/26/52/590662652.db2.gz BSEXXWVXSQPNSP-HTAVTVPLSA-N 1 2 243.347 1.637 20 0 BDADLO CO[C@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CCO1 ZINC000878969763 590662654 /nfs/dbraw/zinc/66/26/54/590662654.db2.gz BSEXXWVXSQPNSP-HTAVTVPLSA-N 1 2 243.347 1.637 20 0 BDADLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C/C=C/Cl ZINC000879154233 590704783 /nfs/dbraw/zinc/70/47/83/590704783.db2.gz ONWHOASMFMYWPI-JOEPOWSHSA-N 1 2 247.722 1.391 20 0 BDADLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C/C=C/Cl ZINC000879154233 590704784 /nfs/dbraw/zinc/70/47/84/590704784.db2.gz ONWHOASMFMYWPI-JOEPOWSHSA-N 1 2 247.722 1.391 20 0 BDADLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C/C=C/Cl ZINC000879154232 590704977 /nfs/dbraw/zinc/70/49/77/590704977.db2.gz ONWHOASMFMYWPI-IPFDCLDFSA-N 1 2 247.722 1.391 20 0 BDADLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C/C=C/Cl ZINC000879154232 590704979 /nfs/dbraw/zinc/70/49/79/590704979.db2.gz ONWHOASMFMYWPI-IPFDCLDFSA-N 1 2 247.722 1.391 20 0 BDADLO FCCC1CC[NH+](Cc2cnon2)CC1 ZINC000879211270 590716248 /nfs/dbraw/zinc/71/62/48/590716248.db2.gz PFIBMEHVQVJIBG-UHFFFAOYSA-N 1 2 213.256 1.641 20 0 BDADLO COc1ccc[nH+]c1N1CCC(C(C)=O)CC1 ZINC000127628978 590725915 /nfs/dbraw/zinc/72/59/15/590725915.db2.gz DXKAMBRTBAAXFS-UHFFFAOYSA-N 1 2 234.299 1.896 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)no1 ZINC000879321716 590742363 /nfs/dbraw/zinc/74/23/63/590742363.db2.gz QUZAUVFDTFWSHN-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)no1 ZINC000879321716 590742366 /nfs/dbraw/zinc/74/23/66/590742366.db2.gz QUZAUVFDTFWSHN-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)no1 ZINC000879321718 590742766 /nfs/dbraw/zinc/74/27/66/590742766.db2.gz QUZAUVFDTFWSHN-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)no1 ZINC000879321718 590742768 /nfs/dbraw/zinc/74/27/68/590742768.db2.gz QUZAUVFDTFWSHN-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)no1 ZINC000879560876 590802698 /nfs/dbraw/zinc/80/26/98/590802698.db2.gz ZUWVKROGMUJMIC-UWVGGRQHSA-N 1 2 239.344 1.563 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)no1 ZINC000879560876 590802699 /nfs/dbraw/zinc/80/26/99/590802699.db2.gz ZUWVKROGMUJMIC-UWVGGRQHSA-N 1 2 239.344 1.563 20 0 BDADLO Cc1c(Cl)ccc2c1C[N@H+](CC(N)=O)CC2 ZINC000879767616 590865837 /nfs/dbraw/zinc/86/58/37/590865837.db2.gz LAZHKPZDVAXGHC-UHFFFAOYSA-N 1 2 238.718 1.492 20 0 BDADLO Cc1c(Cl)ccc2c1C[N@@H+](CC(N)=O)CC2 ZINC000879767616 590865840 /nfs/dbraw/zinc/86/58/40/590865840.db2.gz LAZHKPZDVAXGHC-UHFFFAOYSA-N 1 2 238.718 1.492 20 0 BDADLO CCCNc1cc(N2CCO[C@H](C)C2)[nH+]cn1 ZINC000128033715 590881741 /nfs/dbraw/zinc/88/17/41/590881741.db2.gz QHFGSUWDRNAXHI-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N2CCO[C@H](C)C2)nc[nH+]1 ZINC000128033715 590881735 /nfs/dbraw/zinc/88/17/35/590881735.db2.gz QHFGSUWDRNAXHI-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCCF ZINC000879981802 590903458 /nfs/dbraw/zinc/90/34/58/590903458.db2.gz WYOFCYDFMBUSSN-JTQLQIEISA-N 1 2 217.284 1.667 20 0 BDADLO CC[C@@H](C)[NH2+][C@@H](Cc1cncs1)C(=O)OC ZINC000879990251 590905449 /nfs/dbraw/zinc/90/54/49/590905449.db2.gz YMJBOKQGZUFDSQ-SCZZXKLOSA-N 1 2 242.344 1.615 20 0 BDADLO Cc1oncc1C[NH2+][C@@H](C)c1nccnc1C ZINC000880107422 590926662 /nfs/dbraw/zinc/92/66/62/590926662.db2.gz BUHCHSZHPASPFA-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880236572 590966472 /nfs/dbraw/zinc/96/64/72/590966472.db2.gz BPWUEOUSTUXUDQ-JTQLQIEISA-N 1 2 244.289 1.429 20 0 BDADLO FCCn1ncnc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880236572 590966478 /nfs/dbraw/zinc/96/64/78/590966478.db2.gz BPWUEOUSTUXUDQ-JTQLQIEISA-N 1 2 244.289 1.429 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880299147 590993467 /nfs/dbraw/zinc/99/34/67/590993467.db2.gz DGHYSQNZMNBDHJ-SECBINFHSA-N 1 2 243.282 1.050 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@H](CF)C2)no1 ZINC000880299147 590993469 /nfs/dbraw/zinc/99/34/69/590993469.db2.gz DGHYSQNZMNBDHJ-SECBINFHSA-N 1 2 243.282 1.050 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@H](CF)C1 ZINC000880299928 590995602 /nfs/dbraw/zinc/99/56/02/590995602.db2.gz MHUIFCDJUPOVTK-JGVFFNPUSA-N 1 2 215.297 1.891 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@H](CF)C1 ZINC000880299928 590995604 /nfs/dbraw/zinc/99/56/04/590995604.db2.gz MHUIFCDJUPOVTK-JGVFFNPUSA-N 1 2 215.297 1.891 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320162 591003968 /nfs/dbraw/zinc/00/39/68/591003968.db2.gz QDLHYBRJVMSNOD-SECBINFHSA-N 1 2 249.343 1.261 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320162 591003972 /nfs/dbraw/zinc/00/39/72/591003972.db2.gz QDLHYBRJVMSNOD-SECBINFHSA-N 1 2 249.343 1.261 20 0 BDADLO CN1CCC[C@@H]1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880367266 591011794 /nfs/dbraw/zinc/01/17/94/591011794.db2.gz AHPQFVXXBYYRJL-GFCCVEGCSA-N 1 2 246.358 1.540 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000880488309 591064051 /nfs/dbraw/zinc/06/40/51/591064051.db2.gz BZDBOFIZHLRZRE-LLVKDONJSA-N 1 2 236.340 1.753 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000880488309 591064059 /nfs/dbraw/zinc/06/40/59/591064059.db2.gz BZDBOFIZHLRZRE-LLVKDONJSA-N 1 2 236.340 1.753 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1C/C(Cl)=C\Cl ZINC000880489965 591065385 /nfs/dbraw/zinc/06/53/85/591065385.db2.gz ZRBKXTQVBNSCGZ-RXLGXGPVSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@H]1C=CC[N@H+]1C/C(Cl)=C\Cl ZINC000880489965 591065391 /nfs/dbraw/zinc/06/53/91/591065391.db2.gz ZRBKXTQVBNSCGZ-RXLGXGPVSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000880493766 591071953 /nfs/dbraw/zinc/07/19/53/591071953.db2.gz FEFMWKYGCFEWEK-NSHDSACASA-N 1 2 220.272 1.285 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1coc(C2CC2)n1 ZINC000880493766 591071958 /nfs/dbraw/zinc/07/19/58/591071958.db2.gz FEFMWKYGCFEWEK-NSHDSACASA-N 1 2 220.272 1.285 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ncccc1Cl ZINC000880494455 591073141 /nfs/dbraw/zinc/07/31/41/591073141.db2.gz NOTGUMUCHTXABY-SECBINFHSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ncccc1Cl ZINC000880494455 591073144 /nfs/dbraw/zinc/07/31/44/591073144.db2.gz NOTGUMUCHTXABY-SECBINFHSA-N 1 2 224.691 1.468 20 0 BDADLO FC(F)COCC[N@@H+]1CCc2ncncc2C1 ZINC000880599401 591105004 /nfs/dbraw/zinc/10/50/04/591105004.db2.gz LZYRNMPQIDIFMP-UHFFFAOYSA-N 1 2 243.257 1.116 20 0 BDADLO FC(F)COCC[N@H+]1CCc2ncncc2C1 ZINC000880599401 591105006 /nfs/dbraw/zinc/10/50/06/591105006.db2.gz LZYRNMPQIDIFMP-UHFFFAOYSA-N 1 2 243.257 1.116 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3ncncc3C2)nc1 ZINC000880597069 591106491 /nfs/dbraw/zinc/10/64/91/591106491.db2.gz LXXOTQZAZBFBFE-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3ncncc3C2)nc1 ZINC000880597069 591106492 /nfs/dbraw/zinc/10/64/92/591106492.db2.gz LXXOTQZAZBFBFE-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO O=C(NC1CSC1)c1cccc2[nH+]ccn21 ZINC000880732650 591132508 /nfs/dbraw/zinc/13/25/08/591132508.db2.gz NFWPNUXMJFYNSI-UHFFFAOYSA-N 1 2 233.296 1.180 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C(F)F ZINC000881276414 591178565 /nfs/dbraw/zinc/17/85/65/591178565.db2.gz DJZLXFAUGRGPIS-BQBZGAKWSA-N 1 2 244.245 1.281 20 0 BDADLO CC[C@](C)(O)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000881311672 591186590 /nfs/dbraw/zinc/18/65/90/591186590.db2.gz ANHXYPBIOIHOJG-ZDUSSCGKSA-N 1 2 246.314 1.647 20 0 BDADLO c1cn(Cc2cn(CCCC3CC3)nn2)c[nH+]1 ZINC000881322012 591190506 /nfs/dbraw/zinc/19/05/06/591190506.db2.gz DVQDJVWYJDXZBJ-UHFFFAOYSA-N 1 2 231.303 1.713 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C=CCC1 ZINC000881499135 591221600 /nfs/dbraw/zinc/22/16/00/591221600.db2.gz QYQWTXCMSHLGHV-MNOVXSKESA-N 1 2 233.315 1.671 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C=CCC1 ZINC000881499135 591221602 /nfs/dbraw/zinc/22/16/02/591221602.db2.gz QYQWTXCMSHLGHV-MNOVXSKESA-N 1 2 233.315 1.671 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC000881500683 591223122 /nfs/dbraw/zinc/22/31/22/591223122.db2.gz JGOHMOYTVYNYHZ-NWDGAFQWSA-N 1 2 233.315 1.917 20 0 BDADLO C=C/C=C\CCNC(=O)CCCn1cc[nH+]c1 ZINC000881565004 591240063 /nfs/dbraw/zinc/24/00/63/591240063.db2.gz HFDVJASTJHRHFE-ARJAWSKDSA-N 1 2 233.315 1.912 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](CF)C1 ZINC000881601742 591252980 /nfs/dbraw/zinc/25/29/80/591252980.db2.gz NBKWWKYFPNCOKG-SNVBAGLBSA-N 1 2 239.294 1.550 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](CF)C1 ZINC000881601742 591252984 /nfs/dbraw/zinc/25/29/84/591252984.db2.gz NBKWWKYFPNCOKG-SNVBAGLBSA-N 1 2 239.294 1.550 20 0 BDADLO COCCCCNc1nc[nH+]c(C)c1C ZINC000881810686 591272405 /nfs/dbraw/zinc/27/24/05/591272405.db2.gz HXRDEXJOFFBVDH-UHFFFAOYSA-N 1 2 209.293 1.932 20 0 BDADLO CC(C)C[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000881866612 591275198 /nfs/dbraw/zinc/27/51/98/591275198.db2.gz QTOANQAMGYYTER-NSHDSACASA-N 1 2 224.304 1.393 20 0 BDADLO CC[C@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000881896598 591277154 /nfs/dbraw/zinc/27/71/54/591277154.db2.gz SBIHLTBKRMYKSM-NSHDSACASA-N 1 2 209.293 1.666 20 0 BDADLO Cc1ncnc(NCc2[nH+]ccn2C)c1C ZINC000881915759 591277782 /nfs/dbraw/zinc/27/77/82/591277782.db2.gz HCMVPDVJMZENLA-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO COC[C@@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882005585 591287316 /nfs/dbraw/zinc/28/73/16/591287316.db2.gz OEORHOWXPWQTQM-LLVKDONJSA-N 1 2 221.304 1.566 20 0 BDADLO OCc1cc[nH+]c(NCCOC2CCC2)c1 ZINC000882029654 591288964 /nfs/dbraw/zinc/28/89/64/591288964.db2.gz KJRBFOQSVBEKEM-UHFFFAOYSA-N 1 2 222.288 1.555 20 0 BDADLO CC(=O)OC1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000882129288 591303023 /nfs/dbraw/zinc/30/30/23/591303023.db2.gz MWZUNHXYVYXWKQ-UHFFFAOYSA-N 1 2 249.314 1.625 20 0 BDADLO FC(F)(F)OCCCOCc1[nH]cc[nH+]1 ZINC000882148960 591306065 /nfs/dbraw/zinc/30/60/65/591306065.db2.gz CQQYREBOCWNLEU-UHFFFAOYSA-N 1 2 224.182 1.853 20 0 BDADLO O=Cc1cnc(NCCCCn2cc[nH+]c2)nc1 ZINC000882160982 591308737 /nfs/dbraw/zinc/30/87/37/591308737.db2.gz YNNOWEBINRINHS-UHFFFAOYSA-N 1 2 245.286 1.378 20 0 BDADLO Cc1[nH+]cnc(NCC(=O)NCC2CC2)c1C ZINC000882166009 591309614 /nfs/dbraw/zinc/30/96/14/591309614.db2.gz HINZMMGPKPBJLZ-UHFFFAOYSA-N 1 2 234.303 1.032 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](O)C(C)(C)C2)c1C ZINC000882238745 591319810 /nfs/dbraw/zinc/31/98/10/591319810.db2.gz PFAKRRBKNUFJHJ-LLVKDONJSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1[nH+]cnc(N2CC([C@H]3CCOC3)C2)c1C ZINC000882287657 591326706 /nfs/dbraw/zinc/32/67/06/591326706.db2.gz YJGDCVOWGAGCTH-NSHDSACASA-N 1 2 233.315 1.566 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](CO)C(C)C)c1C ZINC000882365042 591338314 /nfs/dbraw/zinc/33/83/14/591338314.db2.gz SUKDVQYLRLRGPE-LLVKDONJSA-N 1 2 223.320 1.770 20 0 BDADLO CC1=NO[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000882415321 591344977 /nfs/dbraw/zinc/34/49/77/591344977.db2.gz JVKWGTTWYADORA-SNVBAGLBSA-N 1 2 220.276 1.670 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)Cc2cnn(C)c2)c1C ZINC000882425820 591346482 /nfs/dbraw/zinc/34/64/82/591346482.db2.gz FQXAEKXCNKHLLY-VIFPVBQESA-N 1 2 245.330 1.870 20 0 BDADLO Cc1[nH+]cnc(N2CCC([C@H](C)CO)CC2)c1C ZINC000882528519 591382110 /nfs/dbraw/zinc/38/21/10/591382110.db2.gz URIMWGJOVYHAOC-SNVBAGLBSA-N 1 2 249.358 1.938 20 0 BDADLO COCC1CN(c2nc[nH+]c(C)c2C)C1 ZINC000882534465 591386939 /nfs/dbraw/zinc/38/69/39/591386939.db2.gz OPXJEVKTEGPSJM-UHFFFAOYSA-N 1 2 207.277 1.176 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1nc[nH+]c(C)c1C ZINC000882635092 591404859 /nfs/dbraw/zinc/40/48/59/591404859.db2.gz CMCSICVGNKWWPO-KOLCDFICSA-N 1 2 207.277 1.683 20 0 BDADLO CCOC1CC2(C[C@H]2Nc2cc(CO)cc[nH+]2)C1 ZINC000882720231 591420741 /nfs/dbraw/zinc/42/07/41/591420741.db2.gz OEPXZYMGEFFGPV-MBHSVXNSSA-N 1 2 248.326 1.943 20 0 BDADLO Cc1nc(NCC2(CC3CC3)CC2)nc(N)[nH+]1 ZINC000882773335 591435903 /nfs/dbraw/zinc/43/59/03/591435903.db2.gz JTNWDFXYIVMOKC-UHFFFAOYSA-N 1 2 233.319 1.754 20 0 BDADLO Cc1nc(N)nc(NCC2(CC3CC3)CC2)[nH+]1 ZINC000882773335 591435907 /nfs/dbraw/zinc/43/59/07/591435907.db2.gz JTNWDFXYIVMOKC-UHFFFAOYSA-N 1 2 233.319 1.754 20 0 BDADLO FC[C@@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000882841373 591452617 /nfs/dbraw/zinc/45/26/17/591452617.db2.gz UCCDGSVEVHBBIG-JTQLQIEISA-N 1 2 247.277 1.458 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC=C[C@@H]2CO)[nH+]1 ZINC000882976921 591490002 /nfs/dbraw/zinc/49/00/02/591490002.db2.gz RECXSQPBGFZMSO-SECBINFHSA-N 1 2 230.271 1.003 20 0 BDADLO CCC[C@@H](C)CCCO[NH+]=C(N)CO ZINC000883013633 591494774 /nfs/dbraw/zinc/49/47/74/591494774.db2.gz UZIFFKBLBZWJAH-SECBINFHSA-N 1 2 202.298 1.694 20 0 BDADLO Cc1ccc(Cn2cc3c(n2)CC[C@@H](O)C3)c[nH+]1 ZINC000883008820 591509879 /nfs/dbraw/zinc/50/98/79/591509879.db2.gz OBKQNOXYFXIGLR-CYBMUJFWSA-N 1 2 243.310 1.484 20 0 BDADLO NC(CO)=[NH+]OC[C@@H]1CCCCC1(F)F ZINC000883012449 591512538 /nfs/dbraw/zinc/51/25/38/591512538.db2.gz GRLYUAKBLZICIH-ZETCQYMHSA-N 1 2 222.235 1.303 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CO)cc1F ZINC000883013179 591513948 /nfs/dbraw/zinc/51/39/48/591513948.db2.gz HPAVXMGDZFHWMY-UHFFFAOYSA-N 1 2 212.224 1.125 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CO)nc1Cl ZINC000883013668 591514273 /nfs/dbraw/zinc/51/42/73/591514273.db2.gz WITONHQHEMQVRY-UHFFFAOYSA-N 1 2 229.667 1.034 20 0 BDADLO Cc1cc(N2CCc3ncncc3C2)nc[nH+]1 ZINC000883017385 591516057 /nfs/dbraw/zinc/51/60/57/591516057.db2.gz IZXACVFFUGGPRG-UHFFFAOYSA-N 1 2 227.271 1.138 20 0 BDADLO CC(C)c1c[nH]c(C[NH2+][C@H](C)C(=O)N(C)C)n1 ZINC000883030131 591520012 /nfs/dbraw/zinc/52/00/12/591520012.db2.gz WCZDTIWHJNAWPV-SECBINFHSA-N 1 2 238.335 1.099 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)no1 ZINC000883041075 591525663 /nfs/dbraw/zinc/52/56/63/591525663.db2.gz ZBMUGPFPSHQQFF-JTQLQIEISA-N 1 2 232.287 1.353 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(N(C)C)n2)no1 ZINC000883075419 591536261 /nfs/dbraw/zinc/53/62/61/591536261.db2.gz BGNBZAWCLTXVPL-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO C=C/C=C\CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883143419 591550361 /nfs/dbraw/zinc/55/03/61/591550361.db2.gz KEQNQAMOWMGCSW-RXNFCKPNSA-N 1 2 248.330 1.703 20 0 BDADLO C=C/C=C/CCNC(=O)NCc1[nH+]ccn1C ZINC000883322556 591615846 /nfs/dbraw/zinc/61/58/46/591615846.db2.gz KOQMQBFQQZVAES-SNAWJCMRSA-N 1 2 234.303 1.352 20 0 BDADLO CCn1nncc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341309 591620852 /nfs/dbraw/zinc/62/08/52/591620852.db2.gz NADPZUUSLTUZRV-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCCNc1cc(N2CCCOCC2)nc[nH+]1 ZINC000133049226 591760589 /nfs/dbraw/zinc/76/05/89/591760589.db2.gz JABBRPHBARTNMN-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO CCCNc1cc(N2CCCOCC2)[nH+]cn1 ZINC000133049226 591760592 /nfs/dbraw/zinc/76/05/92/591760592.db2.gz JABBRPHBARTNMN-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cn(CC)nn2)C1 ZINC000884002903 591790917 /nfs/dbraw/zinc/79/09/17/591790917.db2.gz KKVFUZRWBZLMNY-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cn(CC)nn2)C1 ZINC000884002903 591790918 /nfs/dbraw/zinc/79/09/18/591790918.db2.gz KKVFUZRWBZLMNY-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@H](C)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800212038 591840679 /nfs/dbraw/zinc/84/06/79/591840679.db2.gz AOQCKMOQZPNYSM-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H](C)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800212038 591840683 /nfs/dbraw/zinc/84/06/83/591840683.db2.gz AOQCKMOQZPNYSM-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO CCc1nc(N2CCOCC(F)(F)C2)cc[nH+]1 ZINC000884509472 591960906 /nfs/dbraw/zinc/96/09/06/591960906.db2.gz HBUQGRZXQZICGQ-UHFFFAOYSA-N 1 2 243.257 1.511 20 0 BDADLO CCc1nc(NCC(C)(C)OCCO)cc[nH+]1 ZINC000884509881 591961202 /nfs/dbraw/zinc/96/12/02/591961202.db2.gz SAOBWCNULNBBNV-UHFFFAOYSA-N 1 2 239.319 1.238 20 0 BDADLO CCc1nc(N[C@@H](C)Cc2cnn(C)c2)cc[nH+]1 ZINC000884522991 591965540 /nfs/dbraw/zinc/96/55/40/591965540.db2.gz NADUHDNYEGEWSL-JTQLQIEISA-N 1 2 245.330 1.816 20 0 BDADLO CCc1nc(N[C@@H](CC)C(OC)OC)cc[nH+]1 ZINC000884550757 591976543 /nfs/dbraw/zinc/97/65/43/591976543.db2.gz KXIUWPOMOGKAIG-VIFPVBQESA-N 1 2 239.319 1.848 20 0 BDADLO CCc1nc(N[C@@H]2C[C@H](C)n3ncnc32)cc[nH+]1 ZINC000884552479 591977242 /nfs/dbraw/zinc/97/72/42/591977242.db2.gz BGTVSGNXLQPGIS-DTWKUNHWSA-N 1 2 244.302 1.748 20 0 BDADLO CCc1nc(N2C[C@@H]3COC[C@]3(C)C2)cc[nH+]1 ZINC000884556982 591978103 /nfs/dbraw/zinc/97/81/03/591978103.db2.gz DWIBIJAAKKEULY-MFKMUULPSA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(NCCO[C@H]2CC2(F)F)cc[nH+]1 ZINC000884556268 591978431 /nfs/dbraw/zinc/97/84/31/591978431.db2.gz LYHHESAJURVDQI-QMMMGPOBSA-N 1 2 243.257 1.875 20 0 BDADLO CCc1nc(N[C@@H](C)C2(CO)CC2)cc[nH+]1 ZINC000884555718 591978476 /nfs/dbraw/zinc/97/84/76/591978476.db2.gz YBJZCONRUYLUHD-VIFPVBQESA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N2CCc3nccnc3C2)cc[nH+]1 ZINC000884559654 591979158 /nfs/dbraw/zinc/97/91/58/591979158.db2.gz AMPJGTUQWYWXHG-UHFFFAOYSA-N 1 2 241.298 1.392 20 0 BDADLO CCc1nc(N2CC[C@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000884562251 591980764 /nfs/dbraw/zinc/98/07/64/591980764.db2.gz VWAPICMQBKBYTJ-QWRGUYRKSA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N(C)CC2(C)COC2)cc[nH+]1 ZINC000884564390 591982027 /nfs/dbraw/zinc/98/20/27/591982027.db2.gz FVRPCKFMKDHPJS-UHFFFAOYSA-N 1 2 221.304 1.512 20 0 BDADLO O[C@@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)C[C@@H]1O ZINC000884622332 591995653 /nfs/dbraw/zinc/99/56/53/591995653.db2.gz LIHXCYSGAWWHHU-LMKPVCQUSA-N 1 2 244.294 1.531 20 0 BDADLO CCc1nc(N2CCCn3nncc3C2)cc[nH+]1 ZINC000884626409 591996833 /nfs/dbraw/zinc/99/68/33/591996833.db2.gz KNFZGQBEJTVMCS-UHFFFAOYSA-N 1 2 244.302 1.041 20 0 BDADLO CC(C)[N@H+](CC[C@H]1CCOC1=O)CC(F)F ZINC000135397915 592010542 /nfs/dbraw/zinc/01/05/42/592010542.db2.gz NJPUBVUKVPKFRH-VIFPVBQESA-N 1 2 235.274 1.915 20 0 BDADLO CC(C)[N@@H+](CC[C@H]1CCOC1=O)CC(F)F ZINC000135397915 592010544 /nfs/dbraw/zinc/01/05/44/592010544.db2.gz NJPUBVUKVPKFRH-VIFPVBQESA-N 1 2 235.274 1.915 20 0 BDADLO O=C1CCCN1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000135445193 592013609 /nfs/dbraw/zinc/01/36/09/592013609.db2.gz ISFNSLOJPOEUIX-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000135445193 592013611 /nfs/dbraw/zinc/01/36/11/592013611.db2.gz ISFNSLOJPOEUIX-UHFFFAOYSA-N 1 2 248.301 1.764 20 0 BDADLO Cc1coc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000884711406 592014022 /nfs/dbraw/zinc/01/40/22/592014022.db2.gz NOYVXTJGGWNPIN-UHFFFAOYSA-N 1 2 220.228 1.642 20 0 BDADLO OC[C@]1(C(F)(F)F)CCN(c2cccc[nH+]2)C1 ZINC000884730860 592015937 /nfs/dbraw/zinc/01/59/37/592015937.db2.gz PFCYWULUPOQJQH-JTQLQIEISA-N 1 2 246.232 1.833 20 0 BDADLO C[C@@H]1CCC(=O)CN1C(=O)CNc1cccc[nH+]1 ZINC000885073642 592046133 /nfs/dbraw/zinc/04/61/33/592046133.db2.gz PALZEEPLOZLCKI-SNVBAGLBSA-N 1 2 247.298 1.074 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@]12C[C@H]1CCC2 ZINC000885996580 592125384 /nfs/dbraw/zinc/12/53/84/592125384.db2.gz ANBZASZRQAJWHA-RISCZKNCSA-N 1 2 247.342 1.659 20 0 BDADLO CCc1cc(C[NH2+]Cc2[nH]nc(C)c2C)on1 ZINC000885995913 592125489 /nfs/dbraw/zinc/12/54/89/592125489.db2.gz BGDFHYNWPHXEGB-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO C[C@H]([NH2+]CCOCC1CC1)C(=O)OC(C)(C)C ZINC000217771845 592149483 /nfs/dbraw/zinc/14/94/83/592149483.db2.gz FHRDFHWNXSJUEU-JTQLQIEISA-N 1 2 243.347 1.733 20 0 BDADLO COc1cccnc1C[NH2+]Cc1[nH]nc(C)c1C ZINC000886138631 592161800 /nfs/dbraw/zinc/16/18/00/592161800.db2.gz PMTTYKYJTUPNLB-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO O[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC(F)(F)C1 ZINC000886166583 592168169 /nfs/dbraw/zinc/16/81/69/592168169.db2.gz LTOXQFYAYGUUEI-DCAQKATOSA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC(F)(F)C1 ZINC000886166583 592168170 /nfs/dbraw/zinc/16/81/70/592168170.db2.gz LTOXQFYAYGUUEI-DCAQKATOSA-N 1 2 247.285 1.115 20 0 BDADLO CCn1c[nH+]cc1CNc1n[nH]c2c1COCC2 ZINC000886204643 592176143 /nfs/dbraw/zinc/17/61/43/592176143.db2.gz MDDJBOSQFNEQMD-UHFFFAOYSA-N 1 2 247.302 1.311 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886341749 592212338 /nfs/dbraw/zinc/21/23/38/592212338.db2.gz ZUAQFESLOWAEKY-XHNCKOQMSA-N 1 2 237.328 1.422 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886341749 592212341 /nfs/dbraw/zinc/21/23/41/592212341.db2.gz ZUAQFESLOWAEKY-XHNCKOQMSA-N 1 2 237.328 1.422 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncco1)C(=O)NC(C)(C)C ZINC000886528439 592246817 /nfs/dbraw/zinc/24/68/17/592246817.db2.gz MBYDCSUZQFCRHH-IUCAKERBSA-N 1 2 239.319 1.628 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ncco1 ZINC000886530997 592247755 /nfs/dbraw/zinc/24/77/55/592247755.db2.gz UYUGJRKTDLNAJB-DTWKUNHWSA-N 1 2 222.244 1.652 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1CC=CC1)C2 ZINC000886619617 592277918 /nfs/dbraw/zinc/27/79/18/592277918.db2.gz KNRFVOTUTABGRE-UHFFFAOYSA-N 1 2 245.326 1.754 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)c1cnco1)C2 ZINC000886617828 592278150 /nfs/dbraw/zinc/27/81/50/592278150.db2.gz AFSNVQJJMXQVBC-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)CSC)C2 ZINC000886628770 592280790 /nfs/dbraw/zinc/28/07/90/592280790.db2.gz CXMZTULQSRZIRF-UHFFFAOYSA-N 1 2 239.344 1.151 20 0 BDADLO CSCc1n[nH]c(C[NH2+][C@H]2CCSC2)n1 ZINC000886751474 592316532 /nfs/dbraw/zinc/31/65/32/592316532.db2.gz RPHOWUIGEYPMBR-ZETCQYMHSA-N 1 2 244.389 1.263 20 0 BDADLO CSCc1nnc(C[NH2+][C@H]2CCSC2)[nH]1 ZINC000886751474 592316538 /nfs/dbraw/zinc/31/65/38/592316538.db2.gz RPHOWUIGEYPMBR-ZETCQYMHSA-N 1 2 244.389 1.263 20 0 BDADLO COC(=O)N[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000886865422 592373793 /nfs/dbraw/zinc/37/37/93/592373793.db2.gz JYXHHELRELDVGO-QMMMGPOBSA-N 1 2 241.316 1.073 20 0 BDADLO COC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000886865422 592373797 /nfs/dbraw/zinc/37/37/97/592373797.db2.gz JYXHHELRELDVGO-QMMMGPOBSA-N 1 2 241.316 1.073 20 0 BDADLO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cnon1 ZINC000886924042 592398135 /nfs/dbraw/zinc/39/81/35/592398135.db2.gz GFSZIQICKHWWOC-LBPRGKRZSA-N 1 2 233.246 1.986 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886974369 592403869 /nfs/dbraw/zinc/40/38/69/592403869.db2.gz XRZGBKWWSIAWKQ-JTQLQIEISA-N 1 2 241.331 1.223 20 0 BDADLO C=C/C=C\CC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887078775 592436376 /nfs/dbraw/zinc/43/63/76/592436376.db2.gz CRFDQVSXEJAMJI-DOGVGXBMSA-N 1 2 241.356 1.709 20 0 BDADLO C=C/C=C\CC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887078775 592436380 /nfs/dbraw/zinc/43/63/80/592436380.db2.gz CRFDQVSXEJAMJI-DOGVGXBMSA-N 1 2 241.356 1.709 20 0 BDADLO COC[C@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887099318 592442144 /nfs/dbraw/zinc/44/21/44/592442144.db2.gz ZWQHIUMCUAKZIQ-SECBINFHSA-N 1 2 223.263 1.113 20 0 BDADLO COC[C@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887099318 592442148 /nfs/dbraw/zinc/44/21/48/592442148.db2.gz ZWQHIUMCUAKZIQ-SECBINFHSA-N 1 2 223.263 1.113 20 0 BDADLO O[C@H](C[N@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102606 592443634 /nfs/dbraw/zinc/44/36/34/592443634.db2.gz XCNUABGTOPTQQT-SNVBAGLBSA-N 1 2 219.275 1.877 20 0 BDADLO O[C@H](C[N@@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102606 592443636 /nfs/dbraw/zinc/44/36/36/592443636.db2.gz XCNUABGTOPTQQT-SNVBAGLBSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+](C)CCCF ZINC000887142407 592458651 /nfs/dbraw/zinc/45/86/51/592458651.db2.gz JGEFGFOOKGYJNH-LURJTMIESA-N 1 2 247.705 1.460 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+](C)CCCF ZINC000887142407 592458655 /nfs/dbraw/zinc/45/86/55/592458655.db2.gz JGEFGFOOKGYJNH-LURJTMIESA-N 1 2 247.705 1.460 20 0 BDADLO C[N@@H+](CCCF)Cc1cn(C(C)(C)C)nn1 ZINC000887142770 592460040 /nfs/dbraw/zinc/46/00/40/592460040.db2.gz ZGVQXPPTUAVWED-UHFFFAOYSA-N 1 2 228.315 1.825 20 0 BDADLO C[N@H+](CCCF)Cc1cn(C(C)(C)C)nn1 ZINC000887142770 592460039 /nfs/dbraw/zinc/46/00/39/592460039.db2.gz ZGVQXPPTUAVWED-UHFFFAOYSA-N 1 2 228.315 1.825 20 0 BDADLO CCc1cnc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000887235757 592469531 /nfs/dbraw/zinc/46/95/31/592469531.db2.gz MQHRHSJCQXLFJW-MRVPVSSYSA-N 1 2 248.286 1.777 20 0 BDADLO CCc1cnc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000887235757 592469534 /nfs/dbraw/zinc/46/95/34/592469534.db2.gz MQHRHSJCQXLFJW-MRVPVSSYSA-N 1 2 248.286 1.777 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ncc(CC)o2)[nH+]1 ZINC000887235499 592469586 /nfs/dbraw/zinc/46/95/86/592469586.db2.gz CSONZGJORABSJU-UHFFFAOYSA-N 1 2 248.286 1.704 20 0 BDADLO CN(CCCF)C(=O)NCCCn1cc[nH+]c1 ZINC000887346347 592484171 /nfs/dbraw/zinc/48/41/71/592484171.db2.gz ZHFMESAPWCCALS-UHFFFAOYSA-N 1 2 242.298 1.274 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@H](C3CC3)O2)c[nH+]1 ZINC000887489563 592513940 /nfs/dbraw/zinc/51/39/40/592513940.db2.gz CJSCQDBPMFXYPT-ZYHUDNBSSA-N 1 2 249.314 1.406 20 0 BDADLO COC[C@H]([NH3+])c1nc(CCC(C)(C)C)no1 ZINC000300863562 592522133 /nfs/dbraw/zinc/52/21/33/592522133.db2.gz MJOUQMBYTAMICX-QMMMGPOBSA-N 1 2 227.308 1.695 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)nn1 ZINC000887553605 592525092 /nfs/dbraw/zinc/52/50/92/592525092.db2.gz FPSNESWNDRBKLA-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](C(F)F)C2)nn1 ZINC000887553605 592525094 /nfs/dbraw/zinc/52/50/94/592525094.db2.gz FPSNESWNDRBKLA-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1C[C@@H]2C[C@@H]2C1 ZINC000887801299 592552879 /nfs/dbraw/zinc/55/28/79/592552879.db2.gz GFANWNDQDABEFU-AOOOYVTPSA-N 1 2 242.282 1.818 20 0 BDADLO CC1(C)CO[C@H](CC(=O)NC2=[NH+]CCS2)C1 ZINC000887914521 592558397 /nfs/dbraw/zinc/55/83/97/592558397.db2.gz MILPSZQXSAAEOZ-MRVPVSSYSA-N 1 2 242.344 1.411 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889182885 592587503 /nfs/dbraw/zinc/58/75/03/592587503.db2.gz JHMNYPKUZQTTIZ-MXWKQRLJSA-N 1 2 248.330 1.625 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889601954 592626761 /nfs/dbraw/zinc/62/67/61/592626761.db2.gz AEOPBBFZHIMTPQ-YUSALJHKSA-N 1 2 233.315 1.267 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1ccnn1C1CC1 ZINC000889681661 592642710 /nfs/dbraw/zinc/64/27/10/592642710.db2.gz ZYMOZKFGWKMNSJ-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccnn1C1CC1 ZINC000889681661 592642711 /nfs/dbraw/zinc/64/27/11/592642711.db2.gz ZYMOZKFGWKMNSJ-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccnn1C1CC1 ZINC000889685621 592644006 /nfs/dbraw/zinc/64/40/06/592644006.db2.gz FSASJIZLLFSKAX-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@H](C)CO2)c(C)c[nH+]1 ZINC000889792749 592655036 /nfs/dbraw/zinc/65/50/36/592655036.db2.gz LVYQMYMIAYTAHA-QPUJVOFHSA-N 1 2 234.299 1.484 20 0 BDADLO CCCC1(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890109773 592673961 /nfs/dbraw/zinc/67/39/61/592673961.db2.gz GIMDNKGNLHAOEF-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CCC[C@H](OCC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103341 592679949 /nfs/dbraw/zinc/67/99/49/592679949.db2.gz JSBQCXIRYCOMHY-NSHDSACASA-N 1 2 239.319 1.242 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104847 592680952 /nfs/dbraw/zinc/68/09/52/592680952.db2.gz RNILWBKCFQFGSI-GWCFXTLKSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC000890105057 592681076 /nfs/dbraw/zinc/68/10/76/592681076.db2.gz VPRKLGLWQSRZDB-NWDGAFQWSA-N 1 2 233.315 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@]2(C)CC2(F)F)c1 ZINC000890104741 592681513 /nfs/dbraw/zinc/68/15/13/592681513.db2.gz PQTXXUUQTAILJP-SECBINFHSA-N 1 2 229.230 1.082 20 0 BDADLO C/C=C(\CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890106762 592681643 /nfs/dbraw/zinc/68/16/43/592681643.db2.gz DJMSZIIINIBZHD-RUDMXATFSA-N 1 2 207.277 1.393 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C\C2CCCC2)c1 ZINC000890104662 592681911 /nfs/dbraw/zinc/68/19/11/592681911.db2.gz OTYBJFHDCFMBLJ-SREVYHEPSA-N 1 2 233.315 1.783 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2occ3c2CCC3)c1 ZINC000890106540 592681995 /nfs/dbraw/zinc/68/19/95/592681995.db2.gz CBLVTBVRBOOMGP-UHFFFAOYSA-N 1 2 245.282 1.432 20 0 BDADLO Cc1csc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890107446 592683001 /nfs/dbraw/zinc/68/30/01/592683001.db2.gz NIWOXGMZRXBJRU-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO CCCC[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890108523 592683091 /nfs/dbraw/zinc/68/30/91/592683091.db2.gz ZUJVBQGFQWUWDF-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110952 592684570 /nfs/dbraw/zinc/68/45/70/592684570.db2.gz XANFLOMDQJBWRA-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890120018 592686487 /nfs/dbraw/zinc/68/64/87/592686487.db2.gz SLFRUNMGDVRPRA-UZWSLXQKSA-N 1 2 247.342 1.719 20 0 BDADLO Fc1cccc(-n2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000095338544 598235028 /nfs/dbraw/zinc/23/50/28/598235028.db2.gz LOHRCUJEVGFWQY-UHFFFAOYSA-N 1 2 230.206 1.192 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000381224163 601007046 /nfs/dbraw/zinc/00/70/46/601007046.db2.gz JJKGQLQBCNBOIH-IUCAKERBSA-N 1 2 223.276 1.062 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000381224163 601007048 /nfs/dbraw/zinc/00/70/48/601007048.db2.gz JJKGQLQBCNBOIH-IUCAKERBSA-N 1 2 223.276 1.062 20 0 BDADLO OCC1([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000893387385 634382336 /nfs/dbraw/zinc/38/23/36/634382336.db2.gz JQAKNLYYHNWDLJ-UHFFFAOYSA-N 1 2 225.317 1.030 20 0 BDADLO CCc1cc(N2CC[C@@H](C)[C@@H]2CO)nc(CC)[nH+]1 ZINC000893395611 634395626 /nfs/dbraw/zinc/39/56/26/634395626.db2.gz OWBZKZKTSUGVDB-PWSUYJOCSA-N 1 2 249.358 1.809 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C2CC2)CCC1 ZINC000925710530 634409645 /nfs/dbraw/zinc/40/96/45/634409645.db2.gz XIIKMRGINARABA-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000909342638 634409675 /nfs/dbraw/zinc/40/96/75/634409675.db2.gz NUFFYDOAIKEBMX-NSHDSACASA-N 1 2 249.314 1.243 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]1C(F)F ZINC000931428735 634442783 /nfs/dbraw/zinc/44/27/83/634442783.db2.gz VSWYRZRJPPJUFV-DJLDLDEBSA-N 1 2 205.248 1.751 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]1C(F)F ZINC000931428735 634442784 /nfs/dbraw/zinc/44/27/84/634442784.db2.gz VSWYRZRJPPJUFV-DJLDLDEBSA-N 1 2 205.248 1.751 20 0 BDADLO CCC(=O)[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000909352641 634466390 /nfs/dbraw/zinc/46/63/90/634466390.db2.gz DSYGCKDXHJCZFA-NSHDSACASA-N 1 2 249.314 1.231 20 0 BDADLO COC[C@](C)([NH2+]CCC(C)C)C(=O)OC ZINC000121156090 634532603 /nfs/dbraw/zinc/53/26/03/634532603.db2.gz HAHVMQOIGCXMPP-NSHDSACASA-N 1 2 217.309 1.200 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000336014633 634576799 /nfs/dbraw/zinc/57/67/99/634576799.db2.gz AZRIOWHXXWVEEF-MRVPVSSYSA-N 1 2 243.257 1.472 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(CC2CC2)C1 ZINC000857738336 635227492 /nfs/dbraw/zinc/22/74/92/635227492.db2.gz WBDSFCDLGGIISI-UHFFFAOYSA-N 1 2 219.288 1.211 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2nccnc2C)cn1 ZINC000235526641 635580501 /nfs/dbraw/zinc/58/05/01/635580501.db2.gz HLLYMLYRIKYIKX-NSHDSACASA-N 1 2 243.314 1.734 20 0 BDADLO Nc1ccc(CNC(=O)C2CCCCC2)c[nH+]1 ZINC000308385142 631244944 /nfs/dbraw/zinc/24/49/44/631244944.db2.gz GNPFVJZNWOFBSO-UHFFFAOYSA-N 1 2 233.315 1.860 20 0 BDADLO Nc1ccc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000308383772 631306401 /nfs/dbraw/zinc/30/64/01/631306401.db2.gz DTBRMIDMGFKSMV-PJXYFTJBSA-N 1 2 245.326 1.716 20 0 BDADLO CC(C)CCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308391829 631309506 /nfs/dbraw/zinc/30/95/06/631309506.db2.gz MZKSGBSZTJEXLO-UHFFFAOYSA-N 1 2 221.304 1.716 20 0 BDADLO CSC[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308379153 631314217 /nfs/dbraw/zinc/31/42/17/631314217.db2.gz RCCBAXVPVVOYTD-QMMMGPOBSA-N 1 2 239.344 1.279 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308421494 631329943 /nfs/dbraw/zinc/32/99/43/631329943.db2.gz OOVALAXQJVSKLY-BBBLOLIVSA-N 1 2 227.304 1.095 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ocnc1C ZINC000893898062 635634779 /nfs/dbraw/zinc/63/47/79/635634779.db2.gz UPPPCIVTRMTDCL-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ocnc1C ZINC000893898062 635634781 /nfs/dbraw/zinc/63/47/81/635634781.db2.gz UPPPCIVTRMTDCL-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO C[C@@H](O)c1cccc(NCc2c[nH+]cn2C)n1 ZINC000893899857 635637243 /nfs/dbraw/zinc/63/72/43/635637243.db2.gz JYCSYVMMXBCQEE-SECBINFHSA-N 1 2 232.287 1.481 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H]2CO)c(Cl)n1 ZINC000934011111 631587013 /nfs/dbraw/zinc/58/70/13/631587013.db2.gz JKZPILDKUFRWPE-SNVBAGLBSA-N 1 2 226.707 1.610 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H]2CO)c(Cl)n1 ZINC000934011111 631587020 /nfs/dbraw/zinc/58/70/20/631587020.db2.gz JKZPILDKUFRWPE-SNVBAGLBSA-N 1 2 226.707 1.610 20 0 BDADLO Cc1cccn2cc(C[N@@H+]3CC[C@@H]3CO)nc12 ZINC000934024607 631598810 /nfs/dbraw/zinc/59/88/10/631598810.db2.gz VFHMSXHSDNEYCG-GFCCVEGCSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1cccn2cc(C[N@H+]3CC[C@@H]3CO)nc12 ZINC000934024607 631598818 /nfs/dbraw/zinc/59/88/18/631598818.db2.gz VFHMSXHSDNEYCG-GFCCVEGCSA-N 1 2 231.299 1.209 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1F ZINC000934017536 631615385 /nfs/dbraw/zinc/61/53/85/631615385.db2.gz RUCUBCSSDBGZBU-JTQLQIEISA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1F ZINC000934017536 631615390 /nfs/dbraw/zinc/61/53/90/631615390.db2.gz RUCUBCSSDBGZBU-JTQLQIEISA-N 1 2 213.227 1.531 20 0 BDADLO CN(C)c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923970804 635687576 /nfs/dbraw/zinc/68/75/76/635687576.db2.gz XEOQANLDWWQGGF-RNFRBKRXSA-N 1 2 219.248 1.130 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000308841735 631691324 /nfs/dbraw/zinc/69/13/24/631691324.db2.gz NORBJZSQRUQEBT-CBAPKCEASA-N 1 2 206.245 1.363 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nc(C(C)C)no1 ZINC000934132604 631707434 /nfs/dbraw/zinc/70/74/34/631707434.db2.gz RMDVFHQMUNDMCJ-VHSXEESVSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000934132604 631707437 /nfs/dbraw/zinc/70/74/37/631707437.db2.gz RMDVFHQMUNDMCJ-VHSXEESVSA-N 1 2 239.319 1.802 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934278256 631757962 /nfs/dbraw/zinc/75/79/62/631757962.db2.gz WNOLFSBDKRWXOX-MRVPVSSYSA-N 1 2 223.276 1.348 20 0 BDADLO CC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934278256 631757967 /nfs/dbraw/zinc/75/79/67/631757967.db2.gz WNOLFSBDKRWXOX-MRVPVSSYSA-N 1 2 223.276 1.348 20 0 BDADLO C[C@@H](CCCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934510804 631889997 /nfs/dbraw/zinc/88/99/97/631889997.db2.gz LNACBOUGSIHTGV-VIFPVBQESA-N 1 2 247.298 1.454 20 0 BDADLO O[C@H]1CC[N@H+](CCc2ccccc2F)C[C@@H]1F ZINC000934573228 631946172 /nfs/dbraw/zinc/94/61/72/631946172.db2.gz OKGDIWSPGKPMBF-STQMWFEESA-N 1 2 241.281 1.773 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2ccccc2F)C[C@@H]1F ZINC000934573228 631946176 /nfs/dbraw/zinc/94/61/76/631946176.db2.gz OKGDIWSPGKPMBF-STQMWFEESA-N 1 2 241.281 1.773 20 0 BDADLO Fc1ccc(C[NH2+]Cc2ccon2)cn1 ZINC000308867547 632010253 /nfs/dbraw/zinc/01/02/53/632010253.db2.gz GQCLDWDDPFPULY-UHFFFAOYSA-N 1 2 207.208 1.499 20 0 BDADLO CCc1cc(NC[C@@H](O)C2CC2)nc(CC)[nH+]1 ZINC000892319331 632046602 /nfs/dbraw/zinc/04/66/02/632046602.db2.gz LVGCGFFMJGZSEK-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H](O)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000218805087 632074607 /nfs/dbraw/zinc/07/46/07/632074607.db2.gz FCSGMQYJVVPKEM-VHSXEESVSA-N 1 2 231.336 1.467 20 0 BDADLO CC(C)OC(=O)C(C)(C)NCCn1cc[nH+]c1 ZINC000934819630 632091805 /nfs/dbraw/zinc/09/18/05/632091805.db2.gz QQSAXEDCCOSEDE-UHFFFAOYSA-N 1 2 239.319 1.203 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000157068649 632414052 /nfs/dbraw/zinc/41/40/52/632414052.db2.gz RDVMYSHOYCVXHA-UWVGGRQHSA-N 1 2 239.290 1.908 20 0 BDADLO OCC[C@H]([NH2+]Cc1cocn1)c1cccs1 ZINC000309485907 632419309 /nfs/dbraw/zinc/41/93/09/632419309.db2.gz GKKREOXFRSHGHP-JTQLQIEISA-N 1 2 238.312 1.949 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ncc[nH]1 ZINC000926561909 632552220 /nfs/dbraw/zinc/55/22/20/632552220.db2.gz BZKZUPFWKVHMTL-AXFHLTTASA-N 1 2 248.330 1.214 20 0 BDADLO COCCSCCC[NH2+][C@@]1(C)CCOC1=O ZINC000309669813 632638334 /nfs/dbraw/zinc/63/83/34/632638334.db2.gz VOOQGRSPKPXUTD-NSHDSACASA-N 1 2 247.360 1.051 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)CC2CCC2)[nH]1 ZINC000658159978 632681375 /nfs/dbraw/zinc/68/13/75/632681375.db2.gz VAHOVPHYEALRRQ-VIFPVBQESA-N 1 2 238.335 1.619 20 0 BDADLO C[C@H](C(=O)OCc1cc[nH+]c(N)c1)C1CC1 ZINC000309272183 632872692 /nfs/dbraw/zinc/87/26/92/632872692.db2.gz LFRVCZBRNOXYOU-QMMMGPOBSA-N 1 2 220.272 1.753 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cn1c2cnccc2n(C)c1=O ZINC000161710977 633010807 /nfs/dbraw/zinc/01/08/07/633010807.db2.gz JJIFLCKNUYDHDR-JTQLQIEISA-N 1 2 246.314 1.177 20 0 BDADLO C[C@H]1CCC[N@H+]1Cn1c2cnccc2n(C)c1=O ZINC000161710977 633010814 /nfs/dbraw/zinc/01/08/14/633010814.db2.gz JJIFLCKNUYDHDR-JTQLQIEISA-N 1 2 246.314 1.177 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(N(C)C)[nH+]1 ZINC000162586299 633032928 /nfs/dbraw/zinc/03/29/28/633032928.db2.gz ANHDTRITDPBUBB-LDYMZIIASA-N 1 2 248.330 1.986 20 0 BDADLO CC[C@H](C)CONC(=O)CCc1c[nH+]c[nH]1 ZINC000293598136 633197097 /nfs/dbraw/zinc/19/70/97/633197097.db2.gz CCNRBHOVNBCWTN-VIFPVBQESA-N 1 2 225.292 1.436 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000894737866 635919259 /nfs/dbraw/zinc/91/92/59/635919259.db2.gz GEVWIKGYPWQBRB-GFCCVEGCSA-N 1 2 248.330 1.058 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccnn1C1CCC1 ZINC000894737866 635919262 /nfs/dbraw/zinc/91/92/62/635919262.db2.gz GEVWIKGYPWQBRB-GFCCVEGCSA-N 1 2 248.330 1.058 20 0 BDADLO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029182902 636007005 /nfs/dbraw/zinc/00/70/05/636007005.db2.gz YFONDPQEUIZXHY-PHIMTYICSA-N 1 2 226.295 1.041 20 0 BDADLO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029182902 636007007 /nfs/dbraw/zinc/00/70/07/636007007.db2.gz YFONDPQEUIZXHY-PHIMTYICSA-N 1 2 226.295 1.041 20 0 BDADLO Cc1noc2ncc(C[NH+]3CC(C)(CO)C3)cc12 ZINC000894980269 636011673 /nfs/dbraw/zinc/01/16/73/636011673.db2.gz MUVDIDHXAYXADO-UHFFFAOYSA-N 1 2 247.298 1.345 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCOC1 ZINC000070464215 636028302 /nfs/dbraw/zinc/02/83/02/636028302.db2.gz MSRYPDXVIWKBRZ-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ncc(CCNc2cc(CO)cc[nH+]2)s1 ZINC000882117696 636064017 /nfs/dbraw/zinc/06/40/17/636064017.db2.gz VZJWJNPWUJLSLS-UHFFFAOYSA-N 1 2 249.339 1.993 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000909465499 636081175 /nfs/dbraw/zinc/08/11/75/636081175.db2.gz CMECKCQNNZENGB-SECBINFHSA-N 1 2 221.304 1.742 20 0 BDADLO COC(C)(C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000928592948 636135034 /nfs/dbraw/zinc/13/50/34/636135034.db2.gz BNDDSAXSEMZFBT-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO C[C@H]1OCCN(c2cc(N(C)C)[nH+]cn2)[C@H]1C ZINC000892942197 633751943 /nfs/dbraw/zinc/75/19/43/633751943.db2.gz UBRDJAQAHCMJKR-VHSXEESVSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@H]1OCCN(c2cc(N(C)C)nc[nH+]2)[C@H]1C ZINC000892942197 633751949 /nfs/dbraw/zinc/75/19/49/633751949.db2.gz UBRDJAQAHCMJKR-VHSXEESVSA-N 1 2 236.319 1.156 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccon2)c(C)n1 ZINC000893099452 633832752 /nfs/dbraw/zinc/83/27/52/633832752.db2.gz YXYHCQMRLSXTGK-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO OC[C@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000930489709 633848421 /nfs/dbraw/zinc/84/84/21/633848421.db2.gz MCDHHRFOCWRMEK-SECBINFHSA-N 1 2 227.691 1.009 20 0 BDADLO OC[C@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000930489709 633848425 /nfs/dbraw/zinc/84/84/25/633848425.db2.gz MCDHHRFOCWRMEK-SECBINFHSA-N 1 2 227.691 1.009 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1CC=CC1 ZINC000179516581 633857212 /nfs/dbraw/zinc/85/72/12/633857212.db2.gz XXZVWIOMTRHQQY-NSHDSACASA-N 1 2 239.315 1.217 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000053174076 633876368 /nfs/dbraw/zinc/87/63/68/633876368.db2.gz KXLJEXVCXVPXTR-KXUCPTDWSA-N 1 2 217.309 1.199 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000309925480 633945200 /nfs/dbraw/zinc/94/52/00/633945200.db2.gz VDKNEZAOZRZVIN-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO CCC[C@H]([NH2+][C@@H](CC)CO)C(=O)OCC ZINC000216249406 633970171 /nfs/dbraw/zinc/97/01/71/633970171.db2.gz AUROBELOXHBKAE-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CCO)C1CC1 ZINC000309951869 633973303 /nfs/dbraw/zinc/97/33/03/633973303.db2.gz GKLHQPQYSMOICO-WDEREUQCSA-N 1 2 229.320 1.079 20 0 BDADLO CC[NH2+]Cc1noc(COCC2CC2)n1 ZINC000309656830 633983772 /nfs/dbraw/zinc/98/37/72/633983772.db2.gz WFUKTEWJPPCUET-UHFFFAOYSA-N 1 2 211.265 1.106 20 0 BDADLO CN(C)c1cc[nH+]c(CNc2nccnc2F)c1 ZINC000895470756 636148651 /nfs/dbraw/zinc/14/86/51/636148651.db2.gz CLXLXIWJFOJWFP-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO Nc1ccc(C[N@@H+]2CCC(=O)CC23CCC3)cn1 ZINC000930741127 634080914 /nfs/dbraw/zinc/08/09/14/634080914.db2.gz IWHWZTDOHJUCLP-UHFFFAOYSA-N 1 2 245.326 1.751 20 0 BDADLO Nc1ccc(C[N@H+]2CCC(=O)CC23CCC3)cn1 ZINC000930741127 634080920 /nfs/dbraw/zinc/08/09/20/634080920.db2.gz IWHWZTDOHJUCLP-UHFFFAOYSA-N 1 2 245.326 1.751 20 0 BDADLO Cc1ccc(NC(=O)NC(C)C)c(N(C)C)[nH+]1 ZINC000162443067 634154650 /nfs/dbraw/zinc/15/46/50/634154650.db2.gz GBNXTWUCIXCSGH-UHFFFAOYSA-N 1 2 236.319 1.986 20 0 BDADLO CO[C@H]1C[C@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000308334929 634297195 /nfs/dbraw/zinc/29/71/95/634297195.db2.gz BORQXDSWSGMDLV-IUCAKERBSA-N 1 2 235.274 1.161 20 0 BDADLO CCOCC[N@H+](C)Cn1cc(C)cnc1=S ZINC000092885064 634318328 /nfs/dbraw/zinc/31/83/28/634318328.db2.gz DMGCWTSOOPDLHM-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO CCOCC[N@@H+](C)Cn1cc(C)cnc1=S ZINC000092885064 634318332 /nfs/dbraw/zinc/31/83/32/634318332.db2.gz DMGCWTSOOPDLHM-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO C[NH+](C)[C@@H](C(=O)OCCF)c1ccccc1 ZINC000194942905 634341834 /nfs/dbraw/zinc/34/18/34/634341834.db2.gz ZSZNUWAKBYFQJH-LLVKDONJSA-N 1 2 225.263 1.802 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001027711781 635123845 /nfs/dbraw/zinc/12/38/45/635123845.db2.gz TZKAXFFACIOUIQ-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001027711781 635123852 /nfs/dbraw/zinc/12/38/52/635123852.db2.gz TZKAXFFACIOUIQ-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CN(C)c1cc(N(C)CCCCCO)nc[nH+]1 ZINC000893565773 635163601 /nfs/dbraw/zinc/16/36/01/635163601.db2.gz TZDZFCBARZUHTN-UHFFFAOYSA-N 1 2 238.335 1.141 20 0 BDADLO CN(C)c1cc(N(C)CCCCCO)[nH+]cn1 ZINC000893565773 635163605 /nfs/dbraw/zinc/16/36/05/635163605.db2.gz TZDZFCBARZUHTN-UHFFFAOYSA-N 1 2 238.335 1.141 20 0 BDADLO CC[C@@H](CO)[NH2+][C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000931772195 635335074 /nfs/dbraw/zinc/33/50/74/635335074.db2.gz KTZZGOJWMNICHZ-WDEREUQCSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ncco2)o1 ZINC000925123559 636121267 /nfs/dbraw/zinc/12/12/67/636121267.db2.gz MHCOJOPXAXSFBT-VHSXEESVSA-N 1 2 236.271 1.960 20 0 BDADLO COCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000896912778 636254356 /nfs/dbraw/zinc/25/43/56/636254356.db2.gz FEJUHCVBBCEFBU-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392066 636574391 /nfs/dbraw/zinc/57/43/91/636574391.db2.gz LKMNQYXTUVSAFC-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392066 636574396 /nfs/dbraw/zinc/57/43/96/636574396.db2.gz LKMNQYXTUVSAFC-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCn2cccc2C1 ZINC000928962274 636690917 /nfs/dbraw/zinc/69/09/17/636690917.db2.gz UTGLGDWEJXPNMQ-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccns2)CCO1 ZINC000929109093 636805336 /nfs/dbraw/zinc/80/53/36/636805336.db2.gz IYVKJJFZOZVDIP-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccns2)CCO1 ZINC000929109093 636805342 /nfs/dbraw/zinc/80/53/42/636805342.db2.gz IYVKJJFZOZVDIP-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO CCCc1noc([C@H]2C[N@H+](C)C[C@H](C)O2)n1 ZINC000923801551 637018227 /nfs/dbraw/zinc/01/82/27/637018227.db2.gz VRMNXWZIIMECJL-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO CCCc1noc([C@H]2C[N@@H+](C)C[C@H](C)O2)n1 ZINC000923801551 637018234 /nfs/dbraw/zinc/01/82/34/637018234.db2.gz VRMNXWZIIMECJL-DTWKUNHWSA-N 1 2 225.292 1.414 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898498327 637043863 /nfs/dbraw/zinc/04/38/63/637043863.db2.gz INUXFRMIYKZWEU-AXFHLTTASA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898498327 637043870 /nfs/dbraw/zinc/04/38/70/637043870.db2.gz INUXFRMIYKZWEU-AXFHLTTASA-N 1 2 228.311 1.193 20 0 BDADLO CN(Cc1ccsc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000899987602 637163053 /nfs/dbraw/zinc/16/30/53/637163053.db2.gz ILXFHIVQKJETFU-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO CC1(C)COCCN1C(=O)CNc1cccc[nH+]1 ZINC000900357340 637182898 /nfs/dbraw/zinc/18/28/98/637182898.db2.gz UASFGNUVEJJNLS-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO COC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905087837 637585485 /nfs/dbraw/zinc/58/54/85/637585485.db2.gz QVNUQTFNPAQMER-JTQLQIEISA-N 1 2 236.315 1.772 20 0 BDADLO CCC(F)(F)C[S@](=O)Cc1c[nH+]cn1C ZINC000905188071 637669571 /nfs/dbraw/zinc/66/95/71/637669571.db2.gz LUQCCRWDTXPHJP-OAHLLOKOSA-N 1 2 236.287 1.714 20 0 BDADLO C[C@H]1CCN[C@@H](c2nc(C3([NH3+])CC3)no2)C1 ZINC000905324714 637754679 /nfs/dbraw/zinc/75/46/79/637754679.db2.gz OWYXUODVSGFKNX-JGVFFNPUSA-N 1 2 222.292 1.078 20 0 BDADLO C[C@H](O)C[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC000905713584 637894513 /nfs/dbraw/zinc/89/45/13/637894513.db2.gz TVVQHOBUYGERRV-VIFPVBQESA-N 1 2 237.290 1.287 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCc1ccco1)C(=O)OC ZINC000905747139 637897908 /nfs/dbraw/zinc/89/79/08/637897908.db2.gz JXDYSSOFMWDUOL-CMPLNLGQSA-N 1 2 239.315 1.999 20 0 BDADLO CC(C)(C)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815044 637941359 /nfs/dbraw/zinc/94/13/59/637941359.db2.gz FYQAUWUSOMWXKN-UHFFFAOYSA-N 1 2 231.303 1.601 20 0 BDADLO CC[C@](O)(C[NH+]1CC(C)(OC)C1)C(F)(F)F ZINC000905950491 637997677 /nfs/dbraw/zinc/99/76/77/637997677.db2.gz OXLFNGKJQZKWHJ-VIFPVBQESA-N 1 2 241.253 1.411 20 0 BDADLO CC[N@H+](Cc1cn(CCC(C)=O)nn1)C(C)C ZINC000906258371 638129370 /nfs/dbraw/zinc/12/93/70/638129370.db2.gz IRKIDXQJLZSRDQ-UHFFFAOYSA-N 1 2 238.335 1.488 20 0 BDADLO CC[N@@H+](Cc1cn(CCC(C)=O)nn1)C(C)C ZINC000906258371 638129375 /nfs/dbraw/zinc/12/93/75/638129375.db2.gz IRKIDXQJLZSRDQ-UHFFFAOYSA-N 1 2 238.335 1.488 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H](C)CC(N)=O)c(C)[nH+]1 ZINC000906788631 638247372 /nfs/dbraw/zinc/24/73/72/638247372.db2.gz DTCNWAQDWWZCSP-SECBINFHSA-N 1 2 249.314 1.001 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H](C)CC(N)=O)c(C)[nH+]1 ZINC000906788642 638247642 /nfs/dbraw/zinc/24/76/42/638247642.db2.gz DTCNWAQDWWZCSP-VIFPVBQESA-N 1 2 249.314 1.001 20 0 BDADLO Cc1cc(C)c(C(=O)NCC(C)(C)O)c(C)[nH+]1 ZINC000906852022 638253893 /nfs/dbraw/zinc/25/38/93/638253893.db2.gz HTQQHXADZDOXJT-UHFFFAOYSA-N 1 2 236.315 1.508 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H](CO)C2CC2)c(C)[nH+]1 ZINC000907202202 638318409 /nfs/dbraw/zinc/31/84/09/638318409.db2.gz RCYFEFRXEFOLAI-GFCCVEGCSA-N 1 2 248.326 1.508 20 0 BDADLO C[C@@H]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000907297232 638345855 /nfs/dbraw/zinc/34/58/55/638345855.db2.gz YHMMSTDBRPTVHI-RISCZKNCSA-N 1 2 247.342 1.991 20 0 BDADLO CC1(C)CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC000907550920 638404994 /nfs/dbraw/zinc/40/49/94/638404994.db2.gz YOHPCNMYYZVHRB-JTQLQIEISA-N 1 2 237.303 1.026 20 0 BDADLO CO[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907634319 638426766 /nfs/dbraw/zinc/42/67/66/638426766.db2.gz LHKKCCDOYRHBDI-JTQLQIEISA-N 1 2 236.315 1.772 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCCCCO1 ZINC000907666996 638439682 /nfs/dbraw/zinc/43/96/82/638439682.db2.gz SOXDOZJJLPKPFW-UHFFFAOYSA-N 1 2 235.287 1.438 20 0 BDADLO CCN(CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907914650 638511116 /nfs/dbraw/zinc/51/11/16/638511116.db2.gz XJAMIQSHTWJJER-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000907950587 638519507 /nfs/dbraw/zinc/51/95/07/638519507.db2.gz HYRDCVVDCIRBHB-NXEZZACHSA-N 1 2 219.288 1.408 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC(F)(F)C1 ZINC000907935084 638525154 /nfs/dbraw/zinc/52/51/54/638525154.db2.gz HQXWQRLVSMBYBE-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000908222328 638602921 /nfs/dbraw/zinc/60/29/21/638602921.db2.gz JVFZXYFDPUWZFL-YFKPBYRVSA-N 1 2 221.182 1.019 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCC1(F)F ZINC000908257740 638618901 /nfs/dbraw/zinc/61/89/01/638618901.db2.gz LXZBCEFKJRCGRL-MRVPVSSYSA-N 1 2 243.257 1.456 20 0 BDADLO CCC1(C)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000908318618 638640989 /nfs/dbraw/zinc/64/09/89/638640989.db2.gz JZEROFQRVQCLJA-UHFFFAOYSA-N 1 2 233.315 1.752 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(C2CC2)CC1 ZINC000908348967 638660000 /nfs/dbraw/zinc/66/00/00/638660000.db2.gz MELXDKRQSYXINV-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO CC[C@H](C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908541903 639008172 /nfs/dbraw/zinc/00/81/72/639008172.db2.gz BTMXLSWGGJCFTH-ONGXEEELSA-N 1 2 239.319 1.130 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757838 639061994 /nfs/dbraw/zinc/06/19/94/639061994.db2.gz CYFNOEKEFSMSEN-LPJHWYKZSA-N 1 2 225.679 1.067 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1F ZINC000910444039 639452539 /nfs/dbraw/zinc/45/25/39/639452539.db2.gz MLFPFPNDNUIDJA-NXEZZACHSA-N 1 2 225.267 1.349 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)[nH+]1 ZINC000910921396 639538515 /nfs/dbraw/zinc/53/85/15/639538515.db2.gz CYAMGCNXWDBRCJ-VDISTLRHSA-N 1 2 248.326 1.650 20 0 BDADLO C[C@H](c1nc(Cc2c[nH+]cn2C)no1)N(C)C ZINC000923962344 639573674 /nfs/dbraw/zinc/57/36/74/639573674.db2.gz MTWBFXNKLBJPAS-MRVPVSSYSA-N 1 2 235.291 1.017 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCSC[C@H]1C ZINC000246754722 639650568 /nfs/dbraw/zinc/65/05/68/639650568.db2.gz NMCWORJCSRFKMQ-NXEZZACHSA-N 1 2 231.361 1.765 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCSC[C@H]1C ZINC000246754722 639650578 /nfs/dbraw/zinc/65/05/78/639650578.db2.gz NMCWORJCSRFKMQ-NXEZZACHSA-N 1 2 231.361 1.765 20 0 BDADLO C[N@H+](CCC(N)=O)Cc1coc(C(C)(C)C)n1 ZINC000930469956 639767851 /nfs/dbraw/zinc/76/78/51/639767851.db2.gz CGKLGWYDTZPPJG-UHFFFAOYSA-N 1 2 239.319 1.279 20 0 BDADLO C[N@@H+](CCC(N)=O)Cc1coc(C(C)(C)C)n1 ZINC000930469956 639767856 /nfs/dbraw/zinc/76/78/56/639767856.db2.gz CGKLGWYDTZPPJG-UHFFFAOYSA-N 1 2 239.319 1.279 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000930469642 639768615 /nfs/dbraw/zinc/76/86/15/639768615.db2.gz PLHGZYROTGMNNS-LFJXOHPOSA-N 1 2 249.301 1.935 20 0 BDADLO COC/C(C)=C/C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000930469642 639768618 /nfs/dbraw/zinc/76/86/18/639768618.db2.gz PLHGZYROTGMNNS-LFJXOHPOSA-N 1 2 249.301 1.935 20 0 BDADLO CCOC1(C)CC[NH+](Cc2nncs2)CC1 ZINC000930539186 639806215 /nfs/dbraw/zinc/80/62/15/639806215.db2.gz VZOPGCAVLKWFCA-UHFFFAOYSA-N 1 2 241.360 1.929 20 0 BDADLO Nc1ccc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000930597396 639816331 /nfs/dbraw/zinc/81/63/31/639816331.db2.gz JRSNQCYEANDDEY-UHFFFAOYSA-N 1 2 219.288 1.027 20 0 BDADLO Nc1ccc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000930597396 639816332 /nfs/dbraw/zinc/81/63/32/639816332.db2.gz JRSNQCYEANDDEY-UHFFFAOYSA-N 1 2 219.288 1.027 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000930889207 639967792 /nfs/dbraw/zinc/96/77/92/639967792.db2.gz KANZOAGICWTOMR-OLKPEBQYSA-N 1 2 239.319 1.964 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000930889207 639967795 /nfs/dbraw/zinc/96/77/95/639967795.db2.gz KANZOAGICWTOMR-OLKPEBQYSA-N 1 2 239.319 1.964 20 0 BDADLO CC(C)(C[NH3+])CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000912248782 640011911 /nfs/dbraw/zinc/01/19/11/640011911.db2.gz FVZHPOFKPNLQFK-UHFFFAOYSA-N 1 2 247.302 1.271 20 0 BDADLO CC1(C)C[C@H](NC(=O)CNc2cccc[nH+]2)CO1 ZINC000912281571 640014415 /nfs/dbraw/zinc/01/44/15/640014415.db2.gz QWJNVEWXKKNMGJ-JTQLQIEISA-N 1 2 249.314 1.177 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1C=CCC1 ZINC000912388857 640047901 /nfs/dbraw/zinc/04/79/01/640047901.db2.gz ZAFIFNJMAFLYCN-JTQLQIEISA-N 1 2 217.272 1.328 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C=CCC1 ZINC000912388858 640049237 /nfs/dbraw/zinc/04/92/37/640049237.db2.gz ZAFIFNJMAFLYCN-SNVBAGLBSA-N 1 2 217.272 1.328 20 0 BDADLO C[C@H]1OCC[C@H]1C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141016 640070782 /nfs/dbraw/zinc/07/07/82/640070782.db2.gz DUVBQYIKZWYLDO-VWYCJHECSA-N 1 2 236.319 1.367 20 0 BDADLO C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931141016 640070789 /nfs/dbraw/zinc/07/07/89/640070789.db2.gz DUVBQYIKZWYLDO-VWYCJHECSA-N 1 2 236.319 1.367 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140131 640075085 /nfs/dbraw/zinc/07/50/85/640075085.db2.gz GVDAGGMBRHGQCV-UWVGGRQHSA-N 1 2 224.308 1.103 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140131 640075093 /nfs/dbraw/zinc/07/50/93/640075093.db2.gz GVDAGGMBRHGQCV-UWVGGRQHSA-N 1 2 224.308 1.103 20 0 BDADLO COc1ccccc1OC(=O)CCn1cc[nH+]c1 ZINC000074391214 640104844 /nfs/dbraw/zinc/10/48/44/640104844.db2.gz OIXKMCMGWIRMSC-UHFFFAOYSA-N 1 2 246.266 1.887 20 0 BDADLO CCCC[C@@H](CC)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000931233922 640108209 /nfs/dbraw/zinc/10/82/09/640108209.db2.gz FVOSCBKGLZSRCF-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO CCCC[C@@H](CC)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931233922 640108214 /nfs/dbraw/zinc/10/82/14/640108214.db2.gz FVOSCBKGLZSRCF-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584905 640122470 /nfs/dbraw/zinc/12/24/70/640122470.db2.gz UHHCWOHJFQWRTR-RBMBQVQZSA-N 1 2 225.679 1.587 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(CC2CC2)C1 ZINC000912831139 640217374 /nfs/dbraw/zinc/21/73/74/640217374.db2.gz WHBKYIPGNMNRIB-UHFFFAOYSA-N 1 2 219.288 1.211 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C)Cc2c[nH]nc21 ZINC000931460246 640217908 /nfs/dbraw/zinc/21/79/08/640217908.db2.gz VZYLBJRKHKRRMG-VIFPVBQESA-N 1 2 231.303 1.263 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C)Cc2c[nH]nc21 ZINC000931460246 640217914 /nfs/dbraw/zinc/21/79/14/640217914.db2.gz VZYLBJRKHKRRMG-VIFPVBQESA-N 1 2 231.303 1.263 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461600 640220989 /nfs/dbraw/zinc/22/09/89/640220989.db2.gz VZUIAHBOEUFMIB-SVRRBLITSA-N 1 2 249.236 1.252 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461600 640220991 /nfs/dbraw/zinc/22/09/91/640220991.db2.gz VZUIAHBOEUFMIB-SVRRBLITSA-N 1 2 249.236 1.252 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461253 640221633 /nfs/dbraw/zinc/22/16/33/640221633.db2.gz RYEXKNACERSQDV-NXEZZACHSA-N 1 2 243.314 1.880 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461253 640221638 /nfs/dbraw/zinc/22/16/38/640221638.db2.gz RYEXKNACERSQDV-NXEZZACHSA-N 1 2 243.314 1.880 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccns1 ZINC000913059299 640298434 /nfs/dbraw/zinc/29/84/34/640298434.db2.gz ZIRUBMGWPMGFCN-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccns1 ZINC000913059299 640298442 /nfs/dbraw/zinc/29/84/42/640298442.db2.gz ZIRUBMGWPMGFCN-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000931886375 640385904 /nfs/dbraw/zinc/38/59/04/640385904.db2.gz KTRHTEQYCBCAMJ-QJPTWQEYSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931935908 640395823 /nfs/dbraw/zinc/39/58/23/640395823.db2.gz KBAMRDIZAGBBIZ-JTQLQIEISA-N 1 2 248.286 1.664 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931935908 640395828 /nfs/dbraw/zinc/39/58/28/640395828.db2.gz KBAMRDIZAGBBIZ-JTQLQIEISA-N 1 2 248.286 1.664 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931935909 640397719 /nfs/dbraw/zinc/39/77/19/640397719.db2.gz KBAMRDIZAGBBIZ-SNVBAGLBSA-N 1 2 248.286 1.664 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931935909 640397723 /nfs/dbraw/zinc/39/77/23/640397723.db2.gz KBAMRDIZAGBBIZ-SNVBAGLBSA-N 1 2 248.286 1.664 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)no1 ZINC000931940587 640399908 /nfs/dbraw/zinc/39/99/08/640399908.db2.gz MPOZEKKLCVTGEK-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)no1 ZINC000931940587 640399912 /nfs/dbraw/zinc/39/99/12/640399912.db2.gz MPOZEKKLCVTGEK-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932340438 640484517 /nfs/dbraw/zinc/48/45/17/640484517.db2.gz DSIKWNYABWIAGY-UWVGGRQHSA-N 1 2 236.319 1.231 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932340438 640484523 /nfs/dbraw/zinc/48/45/23/640484523.db2.gz DSIKWNYABWIAGY-UWVGGRQHSA-N 1 2 236.319 1.231 20 0 BDADLO CCc1cnc(C[N@@H+]2CCO[C@H](C)CC2)o1 ZINC000932345069 640488366 /nfs/dbraw/zinc/48/83/66/640488366.db2.gz FQMKABZUWOQCGM-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCO[C@H](C)CC2)o1 ZINC000932345069 640488368 /nfs/dbraw/zinc/48/83/68/640488368.db2.gz FQMKABZUWOQCGM-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C)CC2)nc1 ZINC000932348318 640491903 /nfs/dbraw/zinc/49/19/03/640491903.db2.gz RWDAKLDBBSPCBD-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C)CC2)nc1 ZINC000932348318 640491910 /nfs/dbraw/zinc/49/19/10/640491910.db2.gz RWDAKLDBBSPCBD-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CCC(=O)NC1C[NH+](Cc2ccc(CC)cc2)C1 ZINC001030036013 640523209 /nfs/dbraw/zinc/52/32/09/640523209.db2.gz KPSZZHMFEOYKSQ-UHFFFAOYSA-N 1 2 246.354 1.959 20 0 BDADLO COC[C@@H](C)[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030043898 640537814 /nfs/dbraw/zinc/53/78/14/640537814.db2.gz KPRKSCQDYGRYLM-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1oc(C=O)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932476194 640542651 /nfs/dbraw/zinc/54/26/51/640542651.db2.gz XKYFOUZWEQMAHW-UHFFFAOYSA-N 1 2 247.254 1.096 20 0 BDADLO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccn[nH]1 ZINC000165202794 640547571 /nfs/dbraw/zinc/54/75/71/640547571.db2.gz WUAFRZVGRMPOCR-LLVKDONJSA-N 1 2 225.292 1.231 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2COC[C@H]2C)no1 ZINC000932487818 640552046 /nfs/dbraw/zinc/55/20/46/640552046.db2.gz CSLWHIMMRCYGEY-FJXKBIBVSA-N 1 2 211.265 1.064 20 0 BDADLO C[C@H]1COC[C@@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000932496046 640557791 /nfs/dbraw/zinc/55/77/91/640557791.db2.gz ABYJWRZDOSJVCF-IUCAKERBSA-N 1 2 239.319 1.492 20 0 BDADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1nnnn1C ZINC000932557182 640574626 /nfs/dbraw/zinc/57/46/26/640574626.db2.gz ZFAMAZLTAWYEMZ-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001030075184 640578030 /nfs/dbraw/zinc/57/80/30/640578030.db2.gz RQEBWFZXYNSYDF-FZMZJTMJSA-N 1 2 244.338 1.643 20 0 BDADLO CC1(CC(=O)Nc2ccc3[nH+]ccn3c2)COC1 ZINC000932615771 640588292 /nfs/dbraw/zinc/58/82/92/640588292.db2.gz UDSQEAAGWSVLFZ-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO CC(C)C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030114527 640603983 /nfs/dbraw/zinc/60/39/83/640603983.db2.gz KBCVCMHOIYVDIC-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO OC1(C2CCC2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000932821050 640614462 /nfs/dbraw/zinc/61/44/62/640614462.db2.gz ZSZREQGGKHXWQB-UHFFFAOYSA-N 1 2 235.331 1.537 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ocnc1C ZINC000933234518 640687588 /nfs/dbraw/zinc/68/75/88/640687588.db2.gz OMNUAUHZZXIEDY-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ocnc1C ZINC000933234518 640687590 /nfs/dbraw/zinc/68/75/90/640687590.db2.gz OMNUAUHZZXIEDY-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cnns1)C2 ZINC000933253546 640690582 /nfs/dbraw/zinc/69/05/82/640690582.db2.gz QXWDXCIVZNBCPP-UHFFFAOYSA-N 1 2 249.343 1.313 20 0 BDADLO CCn1c[nH+]c2c1CCN(CCC(=O)C1CC1)C2 ZINC000933257710 640691608 /nfs/dbraw/zinc/69/16/08/640691608.db2.gz MOWWYDCUNRQCBY-UHFFFAOYSA-N 1 2 247.342 1.630 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398960 640713667 /nfs/dbraw/zinc/71/36/67/640713667.db2.gz OYKKTDVNEJMADO-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398960 640713668 /nfs/dbraw/zinc/71/36/68/640713668.db2.gz OYKKTDVNEJMADO-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001030302191 640740688 /nfs/dbraw/zinc/74/06/88/640740688.db2.gz DQCHHYFILQMMRP-MWLCHTKSSA-N 1 2 248.326 1.837 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCOC12CCCCC2 ZINC000933877740 640778892 /nfs/dbraw/zinc/77/88/92/640778892.db2.gz GYMAEGMLRNBTKL-QWRGUYRKSA-N 1 2 239.315 1.383 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)nc1 ZINC000933971715 640800016 /nfs/dbraw/zinc/80/00/16/640800016.db2.gz UZORLYQDJCUJRS-QWHCGFSZSA-N 1 2 234.299 1.071 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)nc1 ZINC000933971715 640800021 /nfs/dbraw/zinc/80/00/21/640800021.db2.gz UZORLYQDJCUJRS-QWHCGFSZSA-N 1 2 234.299 1.071 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CC=CC1 ZINC000933993872 640801780 /nfs/dbraw/zinc/80/17/80/640801780.db2.gz QVMFNXVPHZEYTJ-UHFFFAOYSA-N 1 2 219.288 1.691 20 0 BDADLO CCCNC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934004362 640803981 /nfs/dbraw/zinc/80/39/81/640803981.db2.gz OFAWBNUFJJTCOY-UHFFFAOYSA-N 1 2 236.315 1.770 20 0 BDADLO CCCNC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934004362 640803982 /nfs/dbraw/zinc/80/39/82/640803982.db2.gz OFAWBNUFJJTCOY-UHFFFAOYSA-N 1 2 236.315 1.770 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ncc(C)o1 ZINC000934104687 640811916 /nfs/dbraw/zinc/81/19/16/640811916.db2.gz KZUOPMXLKHKSPM-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ncc(C)o1 ZINC000934104687 640811917 /nfs/dbraw/zinc/81/19/17/640811917.db2.gz KZUOPMXLKHKSPM-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO CNc1cc(N(C)CCCCCO)nc[nH+]1 ZINC000227159718 640817763 /nfs/dbraw/zinc/81/77/63/640817763.db2.gz DWUMPXOLIJLGHP-UHFFFAOYSA-N 1 2 224.308 1.117 20 0 BDADLO CNc1cc(N(C)CCCCCO)[nH+]cn1 ZINC000227159718 640817767 /nfs/dbraw/zinc/81/77/67/640817767.db2.gz DWUMPXOLIJLGHP-UHFFFAOYSA-N 1 2 224.308 1.117 20 0 BDADLO CCC[C@H](OC)c1noc(C[NH2+]CCOC)n1 ZINC000227310884 640827098 /nfs/dbraw/zinc/82/70/98/640827098.db2.gz ZMERNPFGOMLLTE-VIFPVBQESA-N 1 2 243.307 1.293 20 0 BDADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1cncs1 ZINC000229129132 640925147 /nfs/dbraw/zinc/92/51/47/640925147.db2.gz WSPIQTURCBVBEC-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO Cc1cccc2c1CC[N@@H+]([C@H]1CCOC1=O)C2 ZINC000170922299 640939828 /nfs/dbraw/zinc/93/98/28/640939828.db2.gz ZEMHRXVRCMFXEP-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1cccc2c1CC[N@H+]([C@H]1CCOC1=O)C2 ZINC000170922299 640939831 /nfs/dbraw/zinc/93/98/31/640939831.db2.gz ZEMHRXVRCMFXEP-ZDUSSCGKSA-N 1 2 231.295 1.669 20 0 BDADLO CCC(CC)[C@H](O)CNc1cc(NC)nc[nH+]1 ZINC000230667550 641078733 /nfs/dbraw/zinc/07/87/33/641078733.db2.gz WUEZCKBNUYEULC-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)OCC(C)C ZINC000934118601 641084547 /nfs/dbraw/zinc/08/45/47/641084547.db2.gz UOKNGVLFOMKXRZ-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)OCC(C)C ZINC000934118601 641084551 /nfs/dbraw/zinc/08/45/51/641084551.db2.gz UOKNGVLFOMKXRZ-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)cncc2C)C1 ZINC001030675366 641160241 /nfs/dbraw/zinc/16/02/41/641160241.db2.gz VVOFKORPBFLHEW-UHFFFAOYSA-N 1 2 233.315 1.132 20 0 BDADLO C[N@H+](C[C@@H]1CCCO1)Cn1cc[nH]c1=S ZINC000173352925 641171781 /nfs/dbraw/zinc/17/17/81/641171781.db2.gz DFNGGGGGCHBISA-VIFPVBQESA-N 1 2 227.333 1.614 20 0 BDADLO C[N@@H+](C[C@@H]1CCCO1)Cn1cc[nH]c1=S ZINC000173352925 641171786 /nfs/dbraw/zinc/17/17/86/641171786.db2.gz DFNGGGGGCHBISA-VIFPVBQESA-N 1 2 227.333 1.614 20 0 BDADLO Cc1cnc(C[NH2+]C[C@@H](O)c2ccco2)o1 ZINC000231650723 641193047 /nfs/dbraw/zinc/19/30/47/641193047.db2.gz AEKLHWGKMMVERD-SECBINFHSA-N 1 2 222.244 1.399 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)ccn1 ZINC000934564996 641197845 /nfs/dbraw/zinc/19/78/45/641197845.db2.gz IPFGDRJIYMSGOX-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)ccn1 ZINC000934564996 641197851 /nfs/dbraw/zinc/19/78/51/641197851.db2.gz IPFGDRJIYMSGOX-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO C[C@]12CSC[C@H]1C[N@@H+](Cc1csnn1)C2 ZINC000934766736 641262342 /nfs/dbraw/zinc/26/23/42/641262342.db2.gz KCFDNZYQIPUMTO-SCZZXKLOSA-N 1 2 241.385 1.723 20 0 BDADLO C[C@]12CSC[C@H]1C[N@H+](Cc1csnn1)C2 ZINC000934766736 641262334 /nfs/dbraw/zinc/26/23/34/641262334.db2.gz KCFDNZYQIPUMTO-SCZZXKLOSA-N 1 2 241.385 1.723 20 0 BDADLO CC[NH2+]Cc1noc(CCOCC(F)F)n1 ZINC000232346531 641266043 /nfs/dbraw/zinc/26/60/43/641266043.db2.gz AYUHBLBEMCGMKO-UHFFFAOYSA-N 1 2 235.234 1.003 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CCC(C)(C)O ZINC000934817611 641279747 /nfs/dbraw/zinc/27/97/47/641279747.db2.gz ARCNDGFRKDAACT-UHFFFAOYSA-N 1 2 231.336 1.467 20 0 BDADLO O=C(N[C@H](CO)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935203274 641363473 /nfs/dbraw/zinc/36/34/73/641363473.db2.gz UGFFVPNTGCYNAG-GFCCVEGCSA-N 1 2 245.282 1.064 20 0 BDADLO C[C@@H](c1nc(Cc2cnn(C)c2)no1)[NH+](C)C ZINC000350609964 641371902 /nfs/dbraw/zinc/37/19/02/641371902.db2.gz XNIBIYHOHVDYES-QMMMGPOBSA-N 1 2 235.291 1.017 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2csc(C)n2)C1 ZINC001030835579 641374695 /nfs/dbraw/zinc/37/46/95/641374695.db2.gz NVYLOPUAXRYACE-UHFFFAOYSA-N 1 2 239.344 1.276 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001030869918 641391922 /nfs/dbraw/zinc/39/19/22/641391922.db2.gz VZJXHWOBUSLGDE-QWRGUYRKSA-N 1 2 224.348 1.633 20 0 BDADLO CC1(CCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000935486860 641417250 /nfs/dbraw/zinc/41/72/50/641417250.db2.gz STNQJMVVOQZWIM-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935574767 641431837 /nfs/dbraw/zinc/43/18/37/641431837.db2.gz FWULBDHPDODHKS-IUCAKERBSA-N 1 2 247.298 1.716 20 0 BDADLO CN(CCCCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935590366 641433489 /nfs/dbraw/zinc/43/34/89/641433489.db2.gz OPBQGZJSWWLKJR-UHFFFAOYSA-N 1 2 247.298 1.407 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1C=CCC1 ZINC000913796720 641479641 /nfs/dbraw/zinc/47/96/41/641479641.db2.gz KGWVSPSLAAHICA-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO CCn1ncc(NC(=O)Cc2c[nH]c[nH+]2)c1C ZINC000913814000 641486067 /nfs/dbraw/zinc/48/60/67/641486067.db2.gz KXTZATSGCAGFMR-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000936024788 641519753 /nfs/dbraw/zinc/51/97/53/641519753.db2.gz RGNQKGNCRBSNQZ-UZWSLXQKSA-N 1 2 247.342 1.719 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCOC2)cc[nH+]1 ZINC000493030151 641568189 /nfs/dbraw/zinc/56/81/89/641568189.db2.gz WWTKGFWJMBDROP-QUCGXOGASA-N 1 2 232.283 1.343 20 0 BDADLO CC[NH2+]Cc1noc(CC2CCSCC2)n1 ZINC000157745097 641623195 /nfs/dbraw/zinc/62/31/95/641623195.db2.gz PYJVJXVUJMNZBK-UHFFFAOYSA-N 1 2 241.360 1.865 20 0 BDADLO COC[C@H]([NH3+])c1nc(Cc2ccc(C)cc2)no1 ZINC000159340652 641677922 /nfs/dbraw/zinc/67/79/22/641677922.db2.gz IPJRUGOEHNKFGG-NSHDSACASA-N 1 2 247.298 1.615 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc3c(c2)COC3)C1 ZINC001031095269 641699265 /nfs/dbraw/zinc/69/92/65/641699265.db2.gz HIVKEOBWRQAXGB-UHFFFAOYSA-N 1 2 246.310 1.151 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000754381368 641761661 /nfs/dbraw/zinc/76/16/61/641761661.db2.gz ADOMOKWCTNKKQM-RKDXNWHRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCOC[C@H](C)C2)n1 ZINC000754381368 641761665 /nfs/dbraw/zinc/76/16/65/641761665.db2.gz ADOMOKWCTNKKQM-RKDXNWHRSA-N 1 2 225.292 1.407 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CCS1 ZINC000076073416 641792345 /nfs/dbraw/zinc/79/23/45/641792345.db2.gz PDNPFFUUWSTCJK-RKDXNWHRSA-N 1 2 215.318 1.129 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CCS1 ZINC000076073416 641792349 /nfs/dbraw/zinc/79/23/49/641792349.db2.gz PDNPFFUUWSTCJK-RKDXNWHRSA-N 1 2 215.318 1.129 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001031197669 641799707 /nfs/dbraw/zinc/79/97/07/641799707.db2.gz DDKIUOLWNWIWGL-UHFFFAOYSA-N 1 2 249.339 1.663 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)N1CCCC1 ZINC000915257614 641812496 /nfs/dbraw/zinc/81/24/96/641812496.db2.gz WFIOQPCWURRKEO-UHFFFAOYSA-N 1 2 234.303 1.299 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000189815843 641820090 /nfs/dbraw/zinc/82/00/90/641820090.db2.gz OYZGCCLVIMFKEK-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO CNc1cc(N(C)C[C@H]2CCCCO2)nc[nH+]1 ZINC000130382861 641826282 /nfs/dbraw/zinc/82/62/82/641826282.db2.gz VHTPNWDTCSRICT-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N(C)C[C@H]2CCCCO2)[nH+]cn1 ZINC000130382861 641826291 /nfs/dbraw/zinc/82/62/91/641826291.db2.gz VHTPNWDTCSRICT-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000190233246 641851951 /nfs/dbraw/zinc/85/19/51/641851951.db2.gz AGIAFLFVGSZEFI-NXEZZACHSA-N 1 2 249.376 1.109 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000190233246 641851953 /nfs/dbraw/zinc/85/19/53/641851953.db2.gz AGIAFLFVGSZEFI-NXEZZACHSA-N 1 2 249.376 1.109 20 0 BDADLO CCN(C(=O)c1cccc(C)n1)C1C[NH+](CC)C1 ZINC000949692062 641854241 /nfs/dbraw/zinc/85/42/41/641854241.db2.gz ATSHYTWHSIDWGS-UHFFFAOYSA-N 1 2 247.342 1.556 20 0 BDADLO CC1=NO[C@@H](CSc2nc(N)cc(C)[nH+]2)C1 ZINC000916177313 641915604 /nfs/dbraw/zinc/91/56/04/641915604.db2.gz RLRJSJBXYVHCBV-MRVPVSSYSA-N 1 2 238.316 1.624 20 0 BDADLO CCN(C(=O)c1ccsn1)C1C[NH+](CC)C1 ZINC000950598260 641933118 /nfs/dbraw/zinc/93/31/18/641933118.db2.gz DOOJAKSULYMTBC-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)nsc2C)C1 ZINC001031449104 642167603 /nfs/dbraw/zinc/16/76/03/642167603.db2.gz AOGREWNLUNGJED-UHFFFAOYSA-N 1 2 239.344 1.194 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccns1 ZINC000933218283 642400574 /nfs/dbraw/zinc/40/05/74/642400574.db2.gz SOZLIIGQUPECKQ-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccns1 ZINC000933218283 642400575 /nfs/dbraw/zinc/40/05/75/642400575.db2.gz SOZLIIGQUPECKQ-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccns1 ZINC000933235112 642408543 /nfs/dbraw/zinc/40/85/43/642408543.db2.gz SOZLIIGQUPECKQ-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccns1 ZINC000933235112 642408547 /nfs/dbraw/zinc/40/85/47/642408547.db2.gz SOZLIIGQUPECKQ-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO Cn1c2ccccc2n(C[N@H+](C)CC2CC2)c1=O ZINC000919941980 642410262 /nfs/dbraw/zinc/41/02/62/642410262.db2.gz JHMBQVHIRYCZNE-UHFFFAOYSA-N 1 2 245.326 1.639 20 0 BDADLO Cn1c2ccccc2n(C[N@@H+](C)CC2CC2)c1=O ZINC000919941980 642410268 /nfs/dbraw/zinc/41/02/68/642410268.db2.gz JHMBQVHIRYCZNE-UHFFFAOYSA-N 1 2 245.326 1.639 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ccon1)C2 ZINC000933254934 642426560 /nfs/dbraw/zinc/42/65/60/642426560.db2.gz FBPILOMGSVASAA-UHFFFAOYSA-N 1 2 232.287 1.449 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CC[C@H](OC)C1 ZINC000233059651 642649242 /nfs/dbraw/zinc/64/92/42/642649242.db2.gz GYRQNWAYMXUACK-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCCCOC(=O)C[N@H+]1CC[C@H](OC)C1 ZINC000233059651 642649248 /nfs/dbraw/zinc/64/92/48/642649248.db2.gz GYRQNWAYMXUACK-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968755715 642819050 /nfs/dbraw/zinc/81/90/50/642819050.db2.gz ZRTYXPDDCZYFPO-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000968755715 642819053 /nfs/dbraw/zinc/81/90/53/642819053.db2.gz ZRTYXPDDCZYFPO-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccsc1 ZINC001010066175 642849940 /nfs/dbraw/zinc/84/99/40/642849940.db2.gz FPIFADNXUHHTLB-JTQLQIEISA-N 1 2 242.319 1.522 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccsc1 ZINC001010066175 642849942 /nfs/dbraw/zinc/84/99/42/642849942.db2.gz FPIFADNXUHHTLB-JTQLQIEISA-N 1 2 242.319 1.522 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@H]2CCCCO2)n1 ZINC000069403604 642862243 /nfs/dbraw/zinc/86/22/43/642862243.db2.gz MJGKSXIPYZPUQO-SNVBAGLBSA-N 1 2 239.319 1.681 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000932335038 643122617 /nfs/dbraw/zinc/12/26/17/643122617.db2.gz FPQSKGYPMYDVCS-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@H](C)CC1 ZINC000932335038 643122620 /nfs/dbraw/zinc/12/26/20/643122620.db2.gz FPQSKGYPMYDVCS-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nn2)CC[C@H]1O ZINC000253207124 643184207 /nfs/dbraw/zinc/18/42/07/643184207.db2.gz XMSNEGYZZBVZMH-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nn2)CC[C@H]1O ZINC000253207124 643184209 /nfs/dbraw/zinc/18/42/09/643184209.db2.gz XMSNEGYZZBVZMH-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO OC1(C(F)(F)F)CC[NH+](CCF)CC1 ZINC000306780044 643242253 /nfs/dbraw/zinc/24/22/53/643242253.db2.gz BQIGVHZKVPYVIP-UHFFFAOYSA-N 1 2 215.190 1.345 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[C@H]1C1CC1 ZINC001032043864 643212256 /nfs/dbraw/zinc/21/22/56/643212256.db2.gz NXUJDERHDDTPKM-NWDGAFQWSA-N 1 2 240.322 1.050 20 0 BDADLO CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000082300416 643295836 /nfs/dbraw/zinc/29/58/36/643295836.db2.gz RBNVPDCTAKEZRW-VIFPVBQESA-N 1 2 217.272 1.863 20 0 BDADLO C[N@H+](CCC1OCCO1)CC(=O)OC(C)(C)C ZINC000185334309 643296104 /nfs/dbraw/zinc/29/61/04/643296104.db2.gz XRNSIWBECPSMAC-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO C[N@@H+](CCC1OCCO1)CC(=O)OC(C)(C)C ZINC000185334309 643296107 /nfs/dbraw/zinc/29/61/07/643296107.db2.gz XRNSIWBECPSMAC-UHFFFAOYSA-N 1 2 245.319 1.023 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000160274491 643338125 /nfs/dbraw/zinc/33/81/25/643338125.db2.gz QWYAXEBGPSBNHJ-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160274491 643338134 /nfs/dbraw/zinc/33/81/34/643338134.db2.gz QWYAXEBGPSBNHJ-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000082647220 643363502 /nfs/dbraw/zinc/36/35/02/643363502.db2.gz UIOWIPSIQAJEJO-SECBINFHSA-N 1 2 227.304 1.239 20 0 BDADLO COCCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000082777015 643379015 /nfs/dbraw/zinc/37/90/15/643379015.db2.gz UDFXXLICUWJTPM-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)noc1C ZINC001032235353 643380565 /nfs/dbraw/zinc/38/05/65/643380565.db2.gz JAKMHIONYZUOEI-RYUDHWBXSA-N 1 2 249.314 1.096 20 0 BDADLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)noc1C ZINC001032235353 643380568 /nfs/dbraw/zinc/38/05/68/643380568.db2.gz JAKMHIONYZUOEI-RYUDHWBXSA-N 1 2 249.314 1.096 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001032235996 643380588 /nfs/dbraw/zinc/38/05/88/643380588.db2.gz LGMFYKAWZCPGIQ-OHINUGQQSA-N 1 2 228.723 1.434 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001032235996 643380591 /nfs/dbraw/zinc/38/05/91/643380591.db2.gz LGMFYKAWZCPGIQ-OHINUGQQSA-N 1 2 228.723 1.434 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032237570 643383923 /nfs/dbraw/zinc/38/39/23/643383923.db2.gz NGDBEDVBLKKWEH-STQMWFEESA-N 1 2 245.326 1.277 20 0 BDADLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032237570 643383927 /nfs/dbraw/zinc/38/39/27/643383927.db2.gz NGDBEDVBLKKWEH-STQMWFEESA-N 1 2 245.326 1.277 20 0 BDADLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001032241688 643391760 /nfs/dbraw/zinc/39/17/60/643391760.db2.gz RRTBYUROMSRDPO-WOPDTQHZSA-N 1 2 240.322 1.430 20 0 BDADLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001032241688 643391764 /nfs/dbraw/zinc/39/17/64/643391764.db2.gz RRTBYUROMSRDPO-WOPDTQHZSA-N 1 2 240.322 1.430 20 0 BDADLO CN1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000307198161 643417777 /nfs/dbraw/zinc/41/77/77/643417777.db2.gz XKYGRRKEBBOFHZ-MRVPVSSYSA-N 1 2 223.147 1.428 20 0 BDADLO O=C1C[C@H](C2CC2)CN1C[NH+]1CCSCC1 ZINC000134748879 643474539 /nfs/dbraw/zinc/47/45/39/643474539.db2.gz YKOVLVLSFDPTGC-NSHDSACASA-N 1 2 240.372 1.251 20 0 BDADLO CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000970906218 643600997 /nfs/dbraw/zinc/60/09/97/643600997.db2.gz ZPRJCLDZCXDHOU-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000970906218 643601001 /nfs/dbraw/zinc/60/10/01/643601001.db2.gz ZPRJCLDZCXDHOU-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC000970922108 643620247 /nfs/dbraw/zinc/62/02/47/643620247.db2.gz WDQJDRLUSZADIR-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000970922108 643620251 /nfs/dbraw/zinc/62/02/51/643620251.db2.gz WDQJDRLUSZADIR-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO C[N@H+](C/C=C/Cl)C[C@H](O)C(F)(F)F ZINC000305775007 643629892 /nfs/dbraw/zinc/62/98/92/643629892.db2.gz NACANDCOKDJQRX-SZKDQXIBSA-N 1 2 217.618 1.594 20 0 BDADLO C[N@@H+](C/C=C/Cl)C[C@H](O)C(F)(F)F ZINC000305775007 643629894 /nfs/dbraw/zinc/62/98/94/643629894.db2.gz NACANDCOKDJQRX-SZKDQXIBSA-N 1 2 217.618 1.594 20 0 BDADLO CCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922175323 643891023 /nfs/dbraw/zinc/89/10/23/643891023.db2.gz GEERWAHCNTVCIJ-UHFFFAOYSA-N 1 2 208.261 1.897 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922181076 643894000 /nfs/dbraw/zinc/89/40/00/643894000.db2.gz MDGKNQWDPGCEAB-IONNQARKSA-N 1 2 206.245 1.363 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922286675 643953397 /nfs/dbraw/zinc/95/33/97/643953397.db2.gz CKJJWNWDOKSQNC-UHFFFAOYSA-N 1 2 216.231 1.922 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1CCC1 ZINC000922300987 643961176 /nfs/dbraw/zinc/96/11/76/643961176.db2.gz YDAPWEBHVAMPLJ-UHFFFAOYSA-N 1 2 206.245 1.507 20 0 BDADLO Cc1c(C(=O)OCc2ccc(N)[nH+]c2)cnn1C ZINC000922304361 643961858 /nfs/dbraw/zinc/96/18/58/643961858.db2.gz PVQWQDYKUKTURJ-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@]12CCCO2 ZINC000922301271 643961883 /nfs/dbraw/zinc/96/18/83/643961883.db2.gz AHHTZIIGODMQFH-WCQYABFASA-N 1 2 249.314 1.101 20 0 BDADLO C#CCNC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086235830 643963360 /nfs/dbraw/zinc/96/33/60/643963360.db2.gz DSTAMSYYGOHCKY-LLVKDONJSA-N 1 2 246.310 1.554 20 0 BDADLO C#CCNC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086235830 643963364 /nfs/dbraw/zinc/96/33/64/643963364.db2.gz DSTAMSYYGOHCKY-LLVKDONJSA-N 1 2 246.310 1.554 20 0 BDADLO Nc1[nH+]cccc1COC(=O)COCC1CC1 ZINC000922349498 643978374 /nfs/dbraw/zinc/97/83/74/643978374.db2.gz VEXLUJMEEIZCAC-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO Cc1[nH]nc(C(=O)OCc2ccc(N)[nH+]c2)c1C ZINC000922462366 643998282 /nfs/dbraw/zinc/99/82/82/643998282.db2.gz OKVCSMGWSXCVFG-UHFFFAOYSA-N 1 2 246.270 1.361 20 0 BDADLO Cc1[nH]nc(C(=O)OCc2ccc[nH+]c2N)c1C ZINC000922461280 643998370 /nfs/dbraw/zinc/99/83/70/643998370.db2.gz LDDWZULSEBGUMQ-UHFFFAOYSA-N 1 2 246.270 1.361 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1N ZINC000922472980 643999051 /nfs/dbraw/zinc/99/90/51/643999051.db2.gz CNYPDQOYFJCUCX-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1N ZINC000922472980 643999054 /nfs/dbraw/zinc/99/90/54/643999054.db2.gz CNYPDQOYFJCUCX-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO CC1CC(C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922516382 644006226 /nfs/dbraw/zinc/00/62/26/644006226.db2.gz GBECOCDIQIDRPR-UHFFFAOYSA-N 1 2 220.272 1.753 20 0 BDADLO C[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922582883 644034266 /nfs/dbraw/zinc/03/42/66/644034266.db2.gz OIBOBLDFWSDFCK-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000922591581 644039377 /nfs/dbraw/zinc/03/93/77/644039377.db2.gz XGAKGBDTWMRGEY-URLYPYJESA-N 1 2 232.283 1.753 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922621151 644042474 /nfs/dbraw/zinc/04/24/74/644042474.db2.gz JPCXUJFAJXCGJK-QWRGUYRKSA-N 1 2 234.299 1.999 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1(F)CCCC1 ZINC000922624451 644043290 /nfs/dbraw/zinc/04/32/90/644043290.db2.gz RTYPTRVMLLPWDZ-UHFFFAOYSA-N 1 2 238.262 1.989 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922623829 644043383 /nfs/dbraw/zinc/04/33/83/644043383.db2.gz VFGFVKSYMJJELX-WDEREUQCSA-N 1 2 234.299 1.999 20 0 BDADLO Cc1cc(CC(=O)OCc2ccc(N)[nH+]c2)no1 ZINC000922664334 644060768 /nfs/dbraw/zinc/06/07/68/644060768.db2.gz OCCUTVPHPREUKI-UHFFFAOYSA-N 1 2 247.254 1.246 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CCC=CO2)c[nH+]1 ZINC000922674848 644066121 /nfs/dbraw/zinc/06/61/21/644066121.db2.gz DWLDVYHKQKKFFQ-JTQLQIEISA-N 1 2 234.255 1.400 20 0 BDADLO Nc1ccc(COC(=O)/C=C\[C@H]2CCOC2)c[nH+]1 ZINC000922777513 644092769 /nfs/dbraw/zinc/09/27/69/644092769.db2.gz UGMDVMOUZVKYON-GQPNGRKGSA-N 1 2 248.282 1.300 20 0 BDADLO COC/C(C)=C/C(=O)OCc1ccc[nH+]c1N ZINC000922835809 644113425 /nfs/dbraw/zinc/11/34/25/644113425.db2.gz ISLBXMMIBYSAOT-RMKNXTFCSA-N 1 2 236.271 1.300 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000922859369 644122547 /nfs/dbraw/zinc/12/25/47/644122547.db2.gz OTJXYFJTJCFSCZ-JGPRNRPPSA-N 1 2 232.283 1.753 20 0 BDADLO CC[C@@H](C)[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC000081562384 644332545 /nfs/dbraw/zinc/33/25/45/644332545.db2.gz FCLOXBZNQFZSJA-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000194794297 644346913 /nfs/dbraw/zinc/34/69/13/644346913.db2.gz OBOBBXJSQKLVSO-UHFFFAOYSA-N 1 2 216.244 1.041 20 0 BDADLO CO[C@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000195488908 644393140 /nfs/dbraw/zinc/39/31/40/644393140.db2.gz JNUCREJQPCOEHF-SECBINFHSA-N 1 2 208.261 1.754 20 0 BDADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000923440491 644433736 /nfs/dbraw/zinc/43/37/36/644433736.db2.gz HRCDGAIHOAMEPD-GARJFASQSA-N 1 2 238.287 1.097 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H](O)C1(C)C ZINC000163444546 644521244 /nfs/dbraw/zinc/52/12/44/644521244.db2.gz CJTVQEQGTWEOOK-NXEZZACHSA-N 1 2 222.288 1.662 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246652918 644601647 /nfs/dbraw/zinc/60/16/47/644601647.db2.gz IPTDJJCBFPYBCS-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246652918 644601649 /nfs/dbraw/zinc/60/16/49/644601649.db2.gz IPTDJJCBFPYBCS-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@H]1CC[N@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000764966615 644660366 /nfs/dbraw/zinc/66/03/66/644660366.db2.gz ZPKACBJUBYCQES-JTQLQIEISA-N 1 2 246.314 1.034 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000764966615 644660371 /nfs/dbraw/zinc/66/03/71/644660371.db2.gz ZPKACBJUBYCQES-JTQLQIEISA-N 1 2 246.314 1.034 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)CCOCC ZINC000093313522 644687137 /nfs/dbraw/zinc/68/71/37/644687137.db2.gz ZJCWZKQHXQIFGF-LLVKDONJSA-N 1 2 231.336 1.687 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)CCOCC ZINC000093313522 644687140 /nfs/dbraw/zinc/68/71/40/644687140.db2.gz ZJCWZKQHXQIFGF-LLVKDONJSA-N 1 2 231.336 1.687 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)OCCCn1cc[nH+]c1 ZINC000784850627 644763530 /nfs/dbraw/zinc/76/35/30/644763530.db2.gz QARCUKPQCYJLEH-PLNGDYQASA-N 1 2 245.282 1.858 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3=CCCC3)C2)[nH]1 ZINC000645917251 644795926 /nfs/dbraw/zinc/79/59/26/644795926.db2.gz OCLILAQVGDEGOE-NSHDSACASA-N 1 2 248.330 1.800 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3=CCCC3)C2)[nH]1 ZINC000645917251 644795938 /nfs/dbraw/zinc/79/59/38/644795938.db2.gz OCLILAQVGDEGOE-NSHDSACASA-N 1 2 248.330 1.800 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000252421548 644849159 /nfs/dbraw/zinc/84/91/59/644849159.db2.gz ZIMPCZHPYKXCGW-GUBZILKMSA-N 1 2 231.361 1.669 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](CF)C1 ZINC000829230247 645107537 /nfs/dbraw/zinc/10/75/37/645107537.db2.gz AKCBHQIORNCFSF-VIFPVBQESA-N 1 2 247.273 1.995 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc(CC2CC2)[nH]n1 ZINC000830876751 645124764 /nfs/dbraw/zinc/12/47/64/645124764.db2.gz ICJSCMBPZWXFRK-UHFFFAOYSA-N 1 2 245.286 1.267 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC(C)(C)C1 ZINC000834853143 645150142 /nfs/dbraw/zinc/15/01/42/645150142.db2.gz YALKQOXFVMMFND-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cnccc1C ZINC000926524945 645254799 /nfs/dbraw/zinc/25/47/99/645254799.db2.gz GQMLFTRLVWOJIJ-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO FC1(F)C[C@]12CCC[N@H+](Cc1cnn[nH]1)C2 ZINC000844442834 645332066 /nfs/dbraw/zinc/33/20/66/645332066.db2.gz GLCSGFAVJVZOCT-VIFPVBQESA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@]12CCC[N@@H+](Cc1cnn[nH]1)C2 ZINC000844442834 645332072 /nfs/dbraw/zinc/33/20/72/645332072.db2.gz GLCSGFAVJVZOCT-VIFPVBQESA-N 1 2 228.246 1.426 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2C(=O)NCC2(C)C)c1 ZINC000926662735 645342564 /nfs/dbraw/zinc/34/25/64/645342564.db2.gz SJJKVYMRQPHHPP-NSHDSACASA-N 1 2 249.314 1.165 20 0 BDADLO Cc1nc(N2C[C@H]3[C@@H](C2)C3(F)F)cc[nH+]1 ZINC000845753792 645385914 /nfs/dbraw/zinc/38/59/14/645385914.db2.gz PPZVYHQIBMQEIF-OCAPTIKFSA-N 1 2 211.215 1.486 20 0 BDADLO C[S@](=O)CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852469486 645485084 /nfs/dbraw/zinc/48/50/84/645485084.db2.gz VVZOAPGYVTWJRW-LRDDRELGSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@](=O)CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852469486 645485088 /nfs/dbraw/zinc/48/50/88/645485088.db2.gz VVZOAPGYVTWJRW-LRDDRELGSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@@](=O)CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852469483 645485402 /nfs/dbraw/zinc/48/54/02/645485402.db2.gz VVZOAPGYVTWJRW-BLLLJJGKSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@@](=O)CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852469483 645485414 /nfs/dbraw/zinc/48/54/14/645485414.db2.gz VVZOAPGYVTWJRW-BLLLJJGKSA-N 1 2 241.331 1.951 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCSC1 ZINC000854476562 645507620 /nfs/dbraw/zinc/50/76/20/645507620.db2.gz KKVPXDDKSSKHOE-SECBINFHSA-N 1 2 239.344 1.212 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854911754 645514957 /nfs/dbraw/zinc/51/49/57/645514957.db2.gz GSANLXVKCFTTPS-CABZTGNLSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)Cc2ccccc21 ZINC000857197783 645539634 /nfs/dbraw/zinc/53/96/34/645539634.db2.gz DCMUPOAZYYNUIG-ZWNOBZJWSA-N 1 2 231.295 1.921 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)Cc2ccccc21 ZINC000857197783 645539640 /nfs/dbraw/zinc/53/96/40/645539640.db2.gz DCMUPOAZYYNUIG-ZWNOBZJWSA-N 1 2 231.295 1.921 20 0 BDADLO C[N@H+](CN1CCC1=O)C[C@@](C)(O)c1ccccc1 ZINC000857237184 645541077 /nfs/dbraw/zinc/54/10/77/645541077.db2.gz QIMIBLNGLZUKJY-CQSZACIVSA-N 1 2 248.326 1.016 20 0 BDADLO C[N@@H+](CN1CCC1=O)C[C@@](C)(O)c1ccccc1 ZINC000857237184 645541084 /nfs/dbraw/zinc/54/10/84/645541084.db2.gz QIMIBLNGLZUKJY-CQSZACIVSA-N 1 2 248.326 1.016 20 0 BDADLO Cc1ncccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857458301 645563202 /nfs/dbraw/zinc/56/32/02/645563202.db2.gz MSPLCLVBBCEOMU-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO COC[C@]1(C)C[N@H+](C/C=C/Cl)CCO1 ZINC000860200245 645687852 /nfs/dbraw/zinc/68/78/52/645687852.db2.gz QVYPHLZHOMVUSS-FSIBCCDJSA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@]1(C)C[N@@H+](C/C=C/Cl)CCO1 ZINC000860200245 645687853 /nfs/dbraw/zinc/68/78/53/645687853.db2.gz QVYPHLZHOMVUSS-FSIBCCDJSA-N 1 2 219.712 1.476 20 0 BDADLO CC1(C)C[N@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC000930269342 645694977 /nfs/dbraw/zinc/69/49/77/645694977.db2.gz WGYVVIKJIPVXIG-LLVKDONJSA-N 1 2 242.269 1.563 20 0 BDADLO CC1(C)C[N@@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC000930269342 645694984 /nfs/dbraw/zinc/69/49/84/645694984.db2.gz WGYVVIKJIPVXIG-LLVKDONJSA-N 1 2 242.269 1.563 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1c1ccco1 ZINC000863870675 645707128 /nfs/dbraw/zinc/70/71/28/645707128.db2.gz LKZZHZKGMWYTKD-NXEZZACHSA-N 1 2 245.282 1.465 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000928436256 645758613 /nfs/dbraw/zinc/75/86/13/645758613.db2.gz BIKYAQQVPKSVIJ-DSYKOEDSSA-N 1 2 242.216 1.096 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000928436256 645758618 /nfs/dbraw/zinc/75/86/18/645758618.db2.gz BIKYAQQVPKSVIJ-DSYKOEDSSA-N 1 2 242.216 1.096 20 0 BDADLO CC(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928562470 645824643 /nfs/dbraw/zinc/82/46/43/645824643.db2.gz GKNGHVQSECIVEI-NSHDSACASA-N 1 2 246.310 1.323 20 0 BDADLO CC(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928562470 645824644 /nfs/dbraw/zinc/82/46/44/645824644.db2.gz GKNGHVQSECIVEI-NSHDSACASA-N 1 2 246.310 1.323 20 0 BDADLO CCCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992489 645864733 /nfs/dbraw/zinc/86/47/33/645864733.db2.gz QVNDRPGCYUCDTO-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCc1cc(N2CCC[C@H]2CO)nc(CC)[nH+]1 ZINC000929084598 645932761 /nfs/dbraw/zinc/93/27/61/645932761.db2.gz DSDCRRNOJDTNQZ-NSHDSACASA-N 1 2 235.331 1.563 20 0 BDADLO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ncco1 ZINC000925495802 645933661 /nfs/dbraw/zinc/93/36/61/645933661.db2.gz WPJAQCQEYMFDMZ-IUCAKERBSA-N 1 2 235.287 1.089 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC1 ZINC000929116796 645952888 /nfs/dbraw/zinc/95/28/88/645952888.db2.gz XAGCAMTVZLVODT-UHFFFAOYSA-N 1 2 215.256 1.799 20 0 BDADLO COC(=O)CN(C)Cc1cc(C)cc(C)[nH+]1 ZINC000723603286 711524046 /nfs/dbraw/zinc/52/40/46/711524046.db2.gz SJHJXDLHXFDWPG-UHFFFAOYSA-N 1 2 222.288 1.303 20 0 BDADLO CC1(C(=O)OCCn2cc[nH+]c2)CC=CC1 ZINC000924200581 646004444 /nfs/dbraw/zinc/00/44/44/646004444.db2.gz AOCXELAMWVLLCL-UHFFFAOYSA-N 1 2 220.272 1.783 20 0 BDADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccnc2)n1 ZINC000924531746 646050749 /nfs/dbraw/zinc/05/07/49/646050749.db2.gz NNXNCJZMYHFKQV-SNVBAGLBSA-N 1 2 245.330 1.852 20 0 BDADLO C[N@H+](Cc1noc2c1COCC2)C1CC1 ZINC000929275771 646053214 /nfs/dbraw/zinc/05/32/14/646053214.db2.gz ZNSFJTNIGBHSBZ-UHFFFAOYSA-N 1 2 208.261 1.342 20 0 BDADLO C[N@@H+](Cc1noc2c1COCC2)C1CC1 ZINC000929275771 646053229 /nfs/dbraw/zinc/05/32/29/646053229.db2.gz ZNSFJTNIGBHSBZ-UHFFFAOYSA-N 1 2 208.261 1.342 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2ccnnc2)on1 ZINC000925130793 646191817 /nfs/dbraw/zinc/19/18/17/646191817.db2.gz XQZMFAXYLZOZCH-SECBINFHSA-N 1 2 232.287 1.878 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000929688461 646243232 /nfs/dbraw/zinc/24/32/32/646243232.db2.gz SSZNMUJTCIHBEV-CYBMUJFWSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000929688461 646243239 /nfs/dbraw/zinc/24/32/39/646243239.db2.gz SSZNMUJTCIHBEV-CYBMUJFWSA-N 1 2 247.342 1.361 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000929698085 646252570 /nfs/dbraw/zinc/25/25/70/646252570.db2.gz YBXLTTULRGHZAI-SECBINFHSA-N 1 2 241.360 1.476 20 0 BDADLO CC(C)c1nsc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000929698085 646252575 /nfs/dbraw/zinc/25/25/75/646252575.db2.gz YBXLTTULRGHZAI-SECBINFHSA-N 1 2 241.360 1.476 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCF ZINC000925545276 646324720 /nfs/dbraw/zinc/32/47/20/646324720.db2.gz IBYUMPZYTIVYPG-UHFFFAOYSA-N 1 2 213.256 1.079 20 0 BDADLO COC[C@@H](C[N@@H+](C)Cc1nnc[nH]1)C(C)C ZINC000929811352 646330483 /nfs/dbraw/zinc/33/04/83/646330483.db2.gz OAMUWCSENRYBOJ-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO COC[C@@H](C[N@H+](C)Cc1nnc[nH]1)C(C)C ZINC000929811352 646330481 /nfs/dbraw/zinc/33/04/81/646330481.db2.gz OAMUWCSENRYBOJ-SNVBAGLBSA-N 1 2 226.324 1.155 20 0 BDADLO CCc1ncc(C[N@H+](CC(N)=O)C(C)(C)C)o1 ZINC000929858468 646364119 /nfs/dbraw/zinc/36/41/19/646364119.db2.gz ILIIRMQPPZTQII-UHFFFAOYSA-N 1 2 239.319 1.323 20 0 BDADLO CCc1ncc(C[N@@H+](CC(N)=O)C(C)(C)C)o1 ZINC000929858468 646364122 /nfs/dbraw/zinc/36/41/22/646364122.db2.gz ILIIRMQPPZTQII-UHFFFAOYSA-N 1 2 239.319 1.323 20 0 BDADLO c1cn(CCOC2CCSCC2)c[nH+]1 ZINC000929865759 646366458 /nfs/dbraw/zinc/36/64/58/646366458.db2.gz JQTMEIPFVZUESU-UHFFFAOYSA-N 1 2 212.318 1.795 20 0 BDADLO Cc1cncc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c1 ZINC000925642737 646384634 /nfs/dbraw/zinc/38/46/34/646384634.db2.gz BTXWENKERFVPGQ-JQWIXIFHSA-N 1 2 243.314 1.777 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnn(CCF)c1 ZINC000930013353 646395463 /nfs/dbraw/zinc/39/54/63/646395463.db2.gz JDHCDJXUPIUCCI-UHFFFAOYSA-N 1 2 237.282 1.208 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnn(CCF)c1 ZINC000930013353 646395466 /nfs/dbraw/zinc/39/54/66/646395466.db2.gz JDHCDJXUPIUCCI-UHFFFAOYSA-N 1 2 237.282 1.208 20 0 BDADLO CC[C@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930032755 646404270 /nfs/dbraw/zinc/40/42/70/646404270.db2.gz AIWNCWJJRFHDDQ-SECBINFHSA-N 1 2 233.271 1.064 20 0 BDADLO COC/C(C)=C/C[N@H+](C)Cc1ncc[nH]1 ZINC000930121967 646445056 /nfs/dbraw/zinc/44/50/56/646445056.db2.gz RTDZGQBFPYBURG-ONNFQVAWSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)Cc1ncc[nH]1 ZINC000930121967 646445058 /nfs/dbraw/zinc/44/50/58/646445058.db2.gz RTDZGQBFPYBURG-ONNFQVAWSA-N 1 2 209.293 1.434 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000930129632 646451974 /nfs/dbraw/zinc/45/19/74/646451974.db2.gz ABHAWZNMKLTBMV-MVZIDQBPSA-N 1 2 239.315 1.217 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCOC[C@H]1C1CC1 ZINC000930129632 646451976 /nfs/dbraw/zinc/45/19/76/646451976.db2.gz ABHAWZNMKLTBMV-MVZIDQBPSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000930147618 646461125 /nfs/dbraw/zinc/46/11/25/646461125.db2.gz UULBCDMMYUCANK-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930147618 646461128 /nfs/dbraw/zinc/46/11/28/646461128.db2.gz UULBCDMMYUCANK-LBPRGKRZSA-N 1 2 242.269 1.707 20 0 BDADLO CCOCCOCC[N@@H+]1CCC=C(F)C1 ZINC000930174056 646475065 /nfs/dbraw/zinc/47/50/65/646475065.db2.gz MSJLBQMAGYVMLZ-UHFFFAOYSA-N 1 2 217.284 1.599 20 0 BDADLO CCOCCOCC[N@H+]1CCC=C(F)C1 ZINC000930174056 646475068 /nfs/dbraw/zinc/47/50/68/646475068.db2.gz MSJLBQMAGYVMLZ-UHFFFAOYSA-N 1 2 217.284 1.599 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000925821451 646494754 /nfs/dbraw/zinc/49/47/54/646494754.db2.gz NLXYUFFUFSMYEK-VPTHRUTESA-N 1 2 243.332 1.233 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000925821451 646494759 /nfs/dbraw/zinc/49/47/59/646494759.db2.gz NLXYUFFUFSMYEK-VPTHRUTESA-N 1 2 243.332 1.233 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000925821654 646495453 /nfs/dbraw/zinc/49/54/53/646495453.db2.gz NZTGCCDEUNVSBY-XXFAHNHDSA-N 1 2 243.332 1.479 20 0 BDADLO CC[S@](C)(=O)=NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000925821649 646495691 /nfs/dbraw/zinc/49/56/91/646495691.db2.gz NZTGCCDEUNVSBY-FVMDXXJSSA-N 1 2 243.332 1.479 20 0 BDADLO FC(F)C1([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000926364236 646626693 /nfs/dbraw/zinc/62/66/93/646626693.db2.gz DUGMZRWVEAUIRF-RKDXNWHRSA-N 1 2 217.259 1.941 20 0 BDADLO Cc1ccsc1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724739423 711610168 /nfs/dbraw/zinc/61/01/68/711610168.db2.gz NBSRWFUHRJLULL-SSDOTTSWSA-N 1 2 248.298 1.655 20 0 BDADLO CCC1(C[NH2+][C@H](C)C(=O)OC(C)(C)C)COC1 ZINC000393979931 711681200 /nfs/dbraw/zinc/68/12/00/711681200.db2.gz AHUGOJDYIYNCHB-SNVBAGLBSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981884960 711757411 /nfs/dbraw/zinc/75/74/11/711757411.db2.gz KQISMTFETHJTQI-NWDGAFQWSA-N 1 2 242.338 1.536 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981884960 711757412 /nfs/dbraw/zinc/75/74/12/711757412.db2.gz KQISMTFETHJTQI-NWDGAFQWSA-N 1 2 242.338 1.536 20 0 BDADLO CCC[C@H](OC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910315 711783831 /nfs/dbraw/zinc/78/38/31/711783831.db2.gz PXYZLMJJWJFFNR-JTQLQIEISA-N 1 2 239.319 1.458 20 0 BDADLO CC(C)(O)[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000721861205 711791961 /nfs/dbraw/zinc/79/19/61/711791961.db2.gz GQEMQIAOLCKZJM-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO CC(C)(O)[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000721861205 711791962 /nfs/dbraw/zinc/79/19/62/711791962.db2.gz GQEMQIAOLCKZJM-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO CSC1(C[NH2+][C@H]2CCOC2=O)CCC1 ZINC000379569575 711803574 /nfs/dbraw/zinc/80/35/74/711803574.db2.gz BGPDZFUVWOIZRI-QMMMGPOBSA-N 1 2 215.318 1.177 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706181914 712142369 /nfs/dbraw/zinc/14/23/69/712142369.db2.gz CICOHDXRFZTVFF-SCZZXKLOSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@@H]1O ZINC000706181914 712142371 /nfs/dbraw/zinc/14/23/71/712142371.db2.gz CICOHDXRFZTVFF-SCZZXKLOSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1nc(C[NH+]2CCC(F)CC2)[nH]c1C ZINC000708958771 712204273 /nfs/dbraw/zinc/20/42/73/712204273.db2.gz HJVXZHKLJFWLCN-UHFFFAOYSA-N 1 2 211.284 1.960 20 0 BDADLO Cc1[nH]c(CN2CCC(F)CC2)[nH+]c1C ZINC000708958771 712204275 /nfs/dbraw/zinc/20/42/75/712204275.db2.gz HJVXZHKLJFWLCN-UHFFFAOYSA-N 1 2 211.284 1.960 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@H]1C=CCC1 ZINC000711790353 712330955 /nfs/dbraw/zinc/33/09/55/712330955.db2.gz XATONHZKOUYBFV-NSHDSACASA-N 1 2 219.288 1.356 20 0 BDADLO CCC[C@H](CCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000716942568 712597927 /nfs/dbraw/zinc/59/79/27/712597927.db2.gz AGGVHZAIPJUNBR-GHMZBOCLSA-N 1 2 245.363 1.857 20 0 BDADLO CO[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000718736015 712779379 /nfs/dbraw/zinc/77/93/79/712779379.db2.gz PNZWMRKPPDGIIV-KOLCDFICSA-N 1 2 224.308 1.242 20 0 BDADLO CO[C@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000718736015 712779380 /nfs/dbraw/zinc/77/93/80/712779380.db2.gz PNZWMRKPPDGIIV-KOLCDFICSA-N 1 2 224.308 1.242 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000720432119 712842262 /nfs/dbraw/zinc/84/22/62/712842262.db2.gz NUEXJKLWMGUGLH-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000720432119 712842263 /nfs/dbraw/zinc/84/22/63/712842263.db2.gz NUEXJKLWMGUGLH-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)[C@H]2CCCO2)n1 ZINC000720608107 712858562 /nfs/dbraw/zinc/85/85/62/712858562.db2.gz IIIMDOFISYLCGS-DTWKUNHWSA-N 1 2 225.292 1.462 20 0 BDADLO CC[C@](C)([NH2+]CC[N+](=O)[O-])c1nccs1 ZINC000380335547 712887584 /nfs/dbraw/zinc/88/75/84/712887584.db2.gz PXWGFBBQKFAZLD-VIFPVBQESA-N 1 2 229.305 1.635 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](CO)C2CC2)no1 ZINC000381440776 710636322 /nfs/dbraw/zinc/63/63/22/710636322.db2.gz DXMLRBFYIHYUAN-VIFPVBQESA-N 1 2 225.292 1.054 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@H](C)SC)n1 ZINC000381801752 710719599 /nfs/dbraw/zinc/71/95/99/710719599.db2.gz DNMAXFWEZYYKPJ-QMMMGPOBSA-N 1 2 229.349 1.863 20 0 BDADLO Cc1cc(C(=O)N(C)C2C[NH+](C(C)C)C2)on1 ZINC001042470942 710785758 /nfs/dbraw/zinc/78/57/58/710785758.db2.gz OAFDVFJGLMILKW-UHFFFAOYSA-N 1 2 237.303 1.148 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)c2ocnc2C)C1 ZINC001042581238 710793613 /nfs/dbraw/zinc/79/36/13/710793613.db2.gz MHXQRYUXQUHXJJ-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2c(C)coc2C)C1 ZINC001042681268 710796355 /nfs/dbraw/zinc/79/63/55/710796355.db2.gz KVKIFVNZNJBCDX-UHFFFAOYSA-N 1 2 236.315 1.673 20 0 BDADLO CNc1cc(NCc2cc(C)cs2)nc[nH+]1 ZINC000382148111 710799576 /nfs/dbraw/zinc/79/95/76/710799576.db2.gz CQEVNXOCJWVILO-UHFFFAOYSA-N 1 2 234.328 1.922 20 0 BDADLO CNc1cc(NCc2cc(C)cs2)[nH+]cn1 ZINC000382148111 710799579 /nfs/dbraw/zinc/79/95/79/710799579.db2.gz CQEVNXOCJWVILO-UHFFFAOYSA-N 1 2 234.328 1.922 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@](C)(CO)C(C)C ZINC000390419728 711116646 /nfs/dbraw/zinc/11/66/46/711116646.db2.gz JCOWKMYVWRRBRT-JQWIXIFHSA-N 1 2 231.336 1.325 20 0 BDADLO CCC[C@H]([NH2+][C@H](CO)C1CC1)C(=O)OCC ZINC000390752503 711131697 /nfs/dbraw/zinc/13/16/97/711131697.db2.gz DRVXJNGKMWQXEU-WDEREUQCSA-N 1 2 229.320 1.079 20 0 BDADLO CCc1nnc(CN[C@@H]2CCC[N@H+](C)C2)s1 ZINC000391813057 711140178 /nfs/dbraw/zinc/14/01/78/711140178.db2.gz OSZUINHQTXIHMZ-SECBINFHSA-N 1 2 240.376 1.284 20 0 BDADLO CCc1nnc(CN[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000391813057 711140180 /nfs/dbraw/zinc/14/01/80/711140180.db2.gz OSZUINHQTXIHMZ-SECBINFHSA-N 1 2 240.376 1.284 20 0 BDADLO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000393809682 711176167 /nfs/dbraw/zinc/17/61/67/711176167.db2.gz ZLJRKOXVJQQOHU-WDEREUQCSA-N 1 2 220.320 1.081 20 0 BDADLO C[N@H+]1CC[C@H](N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000393809682 711176169 /nfs/dbraw/zinc/17/61/69/711176169.db2.gz ZLJRKOXVJQQOHU-WDEREUQCSA-N 1 2 220.320 1.081 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Cl)nn1 ZINC000399421018 711429238 /nfs/dbraw/zinc/42/92/38/711429238.db2.gz NMIOLOWQKDJAIV-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Cl)nn1 ZINC000399421018 711429242 /nfs/dbraw/zinc/42/92/42/711429242.db2.gz NMIOLOWQKDJAIV-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1cccnc1 ZINC000380980615 710594996 /nfs/dbraw/zinc/59/49/96/710594996.db2.gz AYQKRBMFMMAQFB-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO C[NH+](C)CCONC(=O)C1(c2ccccc2)CC1 ZINC000393364792 710595156 /nfs/dbraw/zinc/59/51/56/710595156.db2.gz KSWPYEDIRWCPQK-UHFFFAOYSA-N 1 2 248.326 1.328 20 0 BDADLO Nc1cc(COC(=O)c2ccsc2)cc[nH+]1 ZINC000381021175 710596913 /nfs/dbraw/zinc/59/69/13/710596913.db2.gz AEZVHJNTYZYREO-UHFFFAOYSA-N 1 2 234.280 1.913 20 0 BDADLO CC[N@H+](CCO)Cc1scnc1Cl ZINC000721923470 710692679 /nfs/dbraw/zinc/69/26/79/710692679.db2.gz SAUGJUCZZAJSNE-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO CC[N@@H+](CCO)Cc1scnc1Cl ZINC000721923470 710692681 /nfs/dbraw/zinc/69/26/81/710692681.db2.gz SAUGJUCZZAJSNE-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000383083338 710952164 /nfs/dbraw/zinc/95/21/64/710952164.db2.gz URLGAJFUHMHZTL-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(C)C ZINC000148475390 711043320 /nfs/dbraw/zinc/04/33/20/711043320.db2.gz QELTYNLTAFPXSX-AXFHLTTASA-N 1 2 229.320 1.341 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCc3c2cccc3F)n1 ZINC000389816656 711090509 /nfs/dbraw/zinc/09/05/09/711090509.db2.gz QYAPTALTEOXDKO-CYBMUJFWSA-N 1 2 246.289 1.731 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnn(C(C)C)c2)[nH]1 ZINC000392421974 711146491 /nfs/dbraw/zinc/14/64/91/711146491.db2.gz QNEGFJJYQBUOOO-VIFPVBQESA-N 1 2 248.334 1.741 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)C(C)(C)F)C[N@@H+]1CCF ZINC001071310954 711188878 /nfs/dbraw/zinc/18/88/78/711188878.db2.gz XJMDVCUVQSMQDT-UWVGGRQHSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)C(C)(C)F)C[N@H+]1CCF ZINC001071310954 711188879 /nfs/dbraw/zinc/18/88/79/711188879.db2.gz XJMDVCUVQSMQDT-UWVGGRQHSA-N 1 2 248.317 1.673 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccnn2C(C)C)[nH]1 ZINC000394606805 711194874 /nfs/dbraw/zinc/19/48/74/711194874.db2.gz MZWYWQCQIRJZLS-SECBINFHSA-N 1 2 248.334 1.741 20 0 BDADLO CNc1cc(N[C@@H]2COC(C)(C)C2)nc[nH+]1 ZINC000396497884 711222585 /nfs/dbraw/zinc/22/25/85/711222585.db2.gz PCVYNSKOOAOWLW-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO CNc1cc(N[C@@H]2COC(C)(C)C2)[nH+]cn1 ZINC000396497884 711222591 /nfs/dbraw/zinc/22/25/91/711222591.db2.gz PCVYNSKOOAOWLW-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO CC(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000075676285 711440251 /nfs/dbraw/zinc/44/02/51/711440251.db2.gz VTHIQVLFGGESPJ-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO CC(C)(C)c1ncn(Cc2ccc(N)[nH+]c2)n1 ZINC000383252848 711490759 /nfs/dbraw/zinc/49/07/59/711490759.db2.gz GJICISFSXXBPQV-UHFFFAOYSA-N 1 2 231.303 1.431 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2CC2CC2)on1 ZINC000933210981 711506596 /nfs/dbraw/zinc/50/65/96/711506596.db2.gz HKZVJEGYGFFCMK-NSHDSACASA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2CC2CC2)on1 ZINC000933210981 711506597 /nfs/dbraw/zinc/50/65/97/711506597.db2.gz HKZVJEGYGFFCMK-NSHDSACASA-N 1 2 222.288 1.676 20 0 BDADLO Cc1nc(NCC[C@@H]2CC(=O)N(C)C2)cc[nH+]1 ZINC000723362208 711509054 /nfs/dbraw/zinc/50/90/54/711509054.db2.gz DYNYBCVTEGBDCL-SNVBAGLBSA-N 1 2 234.303 1.065 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724222823 711570724 /nfs/dbraw/zinc/57/07/24/711570724.db2.gz CCZLSDMOIRLPGS-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724222823 711570727 /nfs/dbraw/zinc/57/07/27/711570727.db2.gz CCZLSDMOIRLPGS-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc[nH+]1 ZINC000724608094 711598115 /nfs/dbraw/zinc/59/81/15/711598115.db2.gz GJZANFOLPCTUSM-VWYCJHECSA-N 1 2 235.287 1.001 20 0 BDADLO [NH3+][C@H](CC(=O)NC1CCCCCC1)C(F)F ZINC000724752377 711610586 /nfs/dbraw/zinc/61/05/86/711610586.db2.gz PTUNMRBYYBICPN-SECBINFHSA-N 1 2 234.290 1.808 20 0 BDADLO CCCNc1cc(N[C@H]2CC23CC(O)C3)nc[nH+]1 ZINC000724930863 711630679 /nfs/dbraw/zinc/63/06/79/711630679.db2.gz NRCKVYHHSSYIBE-QUNCOHTASA-N 1 2 248.330 1.624 20 0 BDADLO CCCNc1cc(N[C@H]2CC23CC(O)C3)[nH+]cn1 ZINC000724930863 711630680 /nfs/dbraw/zinc/63/06/80/711630680.db2.gz NRCKVYHHSSYIBE-QUNCOHTASA-N 1 2 248.330 1.624 20 0 BDADLO O=C1CCN1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000857237827 711711313 /nfs/dbraw/zinc/71/13/13/711711313.db2.gz UQXRUJKVPBHKJR-UHFFFAOYSA-N 1 2 232.283 1.559 20 0 BDADLO O=C1CCN1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000857237827 711711314 /nfs/dbraw/zinc/71/13/14/711711314.db2.gz UQXRUJKVPBHKJR-UHFFFAOYSA-N 1 2 232.283 1.559 20 0 BDADLO Cc1nccc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)n1 ZINC000931461209 711717657 /nfs/dbraw/zinc/71/76/57/711717657.db2.gz ROBAUPJZNWUZHR-SECBINFHSA-N 1 2 243.314 1.627 20 0 BDADLO Cc1nccc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)n1 ZINC000931461209 711717659 /nfs/dbraw/zinc/71/76/59/711717659.db2.gz ROBAUPJZNWUZHR-SECBINFHSA-N 1 2 243.314 1.627 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931462322 711722790 /nfs/dbraw/zinc/72/27/90/711722790.db2.gz NREBWAFVPRUWIJ-DTWKUNHWSA-N 1 2 246.318 1.219 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931462322 711722791 /nfs/dbraw/zinc/72/27/91/711722791.db2.gz NREBWAFVPRUWIJ-DTWKUNHWSA-N 1 2 246.318 1.219 20 0 BDADLO CCCNC(=S)NCCNc1cccc[nH+]1 ZINC000061172571 711738468 /nfs/dbraw/zinc/73/84/68/711738468.db2.gz WCGYUXMTILFTFY-UHFFFAOYSA-N 1 2 238.360 1.368 20 0 BDADLO C[NH+](C)Cc1csc(CNC(=O)C(F)F)n1 ZINC000722381890 711752524 /nfs/dbraw/zinc/75/25/24/711752524.db2.gz BDNSMCBNUOEBJI-UHFFFAOYSA-N 1 2 249.286 1.086 20 0 BDADLO c1ncc(C[NH2+][C@@H]2COCc3ccccc32)[nH]1 ZINC000226003113 711757380 /nfs/dbraw/zinc/75/73/80/711757380.db2.gz QFHDTYVLHCTNRW-CYBMUJFWSA-N 1 2 229.283 1.771 20 0 BDADLO COc1cnc(F)c(C[NH+]2CC(C)C2)c1 ZINC000877489554 711764421 /nfs/dbraw/zinc/76/44/21/711764421.db2.gz UWDNSNNAKVSFCQ-UHFFFAOYSA-N 1 2 210.252 1.681 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889604575 711775205 /nfs/dbraw/zinc/77/52/05/711775205.db2.gz DWYCIXAAKMXPAF-GARJFASQSA-N 1 2 233.315 1.647 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H](C)C(F)(F)F)[nH+]c1C ZINC000896914817 711783939 /nfs/dbraw/zinc/78/39/39/711783939.db2.gz AFSCJOSBWNAMID-YFKPBYRVSA-N 1 2 249.236 1.841 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392328 711789025 /nfs/dbraw/zinc/78/90/25/711789025.db2.gz XFFAYVRCAGDKPM-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392328 711789027 /nfs/dbraw/zinc/78/90/27/711789027.db2.gz XFFAYVRCAGDKPM-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CC(C)(O)[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000721870928 711792964 /nfs/dbraw/zinc/79/29/64/711792964.db2.gz AGVHKOAQDBABER-LLVKDONJSA-N 1 2 236.315 1.171 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[C@H]2CCCO2)c(C)c[nH+]1 ZINC000907088909 711815114 /nfs/dbraw/zinc/81/51/14/711815114.db2.gz WGVVLBSJDFAQKV-DGCLKSJQSA-N 1 2 248.326 1.874 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2sccc2C)C1 ZINC001030057131 711825801 /nfs/dbraw/zinc/82/58/01/711825801.db2.gz DORQSDMSYBHHOM-UHFFFAOYSA-N 1 2 238.356 1.881 20 0 BDADLO C[C@@H](O)CCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000227715879 711832701 /nfs/dbraw/zinc/83/27/01/711832701.db2.gz LHDAKPPSGKZBJB-NXEZZACHSA-N 1 2 231.336 1.467 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)CCCO)C(=O)OC(C)(C)C ZINC000087359971 711834999 /nfs/dbraw/zinc/83/49/99/711834999.db2.gz NLINXLNLHPTFIM-VHSXEESVSA-N 1 2 231.336 1.467 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2coc(C)n2)C1 ZINC001046092176 711845084 /nfs/dbraw/zinc/84/50/84/711845084.db2.gz XHHVGWWGNQFOGR-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2coc(C)n2)C1 ZINC001046092176 711845087 /nfs/dbraw/zinc/84/50/87/711845087.db2.gz XHHVGWWGNQFOGR-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC[N@H+](CCOC)CN1CCSC1=O ZINC000921047614 711881682 /nfs/dbraw/zinc/88/16/82/711881682.db2.gz ZUCIEGRLPSSSPF-UHFFFAOYSA-N 1 2 218.322 1.081 20 0 BDADLO CC[N@@H+](CCOC)CN1CCSC1=O ZINC000921047614 711881684 /nfs/dbraw/zinc/88/16/84/711881684.db2.gz ZUCIEGRLPSSSPF-UHFFFAOYSA-N 1 2 218.322 1.081 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC001032846668 711962349 /nfs/dbraw/zinc/96/23/49/711962349.db2.gz FRFCDWKKTRJNCK-LLVKDONJSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC001032846668 711962351 /nfs/dbraw/zinc/96/23/51/711962351.db2.gz FRFCDWKKTRJNCK-LLVKDONJSA-N 1 2 239.344 1.196 20 0 BDADLO CN(C(=O)C(C)(F)F)[C@@H]1CC[N@H+](CCF)C1 ZINC001032871107 711965615 /nfs/dbraw/zinc/96/56/15/711965615.db2.gz HUZRSKBHEZZWGK-MRVPVSSYSA-N 1 2 238.253 1.144 20 0 BDADLO CN(C(=O)C(C)(F)F)[C@@H]1CC[N@@H+](CCF)C1 ZINC001032871107 711965617 /nfs/dbraw/zinc/96/56/17/711965617.db2.gz HUZRSKBHEZZWGK-MRVPVSSYSA-N 1 2 238.253 1.144 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000703962270 712096514 /nfs/dbraw/zinc/09/65/14/712096514.db2.gz KDVIQUNKUHPRST-NWDGAFQWSA-N 1 2 248.330 1.202 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000703962270 712096516 /nfs/dbraw/zinc/09/65/16/712096516.db2.gz KDVIQUNKUHPRST-NWDGAFQWSA-N 1 2 248.330 1.202 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC000704968440 712121476 /nfs/dbraw/zinc/12/14/76/712121476.db2.gz ZSWUHTVBUVBNML-BDAKNGLRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC000704968440 712121477 /nfs/dbraw/zinc/12/14/77/712121477.db2.gz ZSWUHTVBUVBNML-BDAKNGLRSA-N 1 2 239.237 1.020 20 0 BDADLO Cc1[nH+]ccn1CCNc1ncnc2[nH]ccc21 ZINC000705196833 712126577 /nfs/dbraw/zinc/12/65/77/712126577.db2.gz BHNZTBNGNPXOLK-UHFFFAOYSA-N 1 2 242.286 1.575 20 0 BDADLO CNc1cc(N2C[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000706939772 712162486 /nfs/dbraw/zinc/16/24/86/712162486.db2.gz DQZSKYANJOEVDO-UWVGGRQHSA-N 1 2 218.304 1.897 20 0 BDADLO CNc1cc(N2C[C@@H]3CCCC[C@@H]32)[nH+]cn1 ZINC000706939772 712162489 /nfs/dbraw/zinc/16/24/89/712162489.db2.gz DQZSKYANJOEVDO-UWVGGRQHSA-N 1 2 218.304 1.897 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000709715889 712216575 /nfs/dbraw/zinc/21/65/75/712216575.db2.gz QVJDRKPPGPPXBD-KXUCPTDWSA-N 1 2 231.361 1.812 20 0 BDADLO COc1ccncc1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709917508 712232967 /nfs/dbraw/zinc/23/29/67/712232967.db2.gz DNGGGPQCYDNRSR-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO Cc1nc(NCCc2ccns2)cc[nH+]1 ZINC000710000424 712239284 /nfs/dbraw/zinc/23/92/84/712239284.db2.gz WRKBZTTXAYIPIM-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO CC[C@H]1COC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000711111212 712281250 /nfs/dbraw/zinc/28/12/50/712281250.db2.gz SPZVBBNJLBOQLN-ONGXEEELSA-N 1 2 209.293 1.233 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922917417 712286507 /nfs/dbraw/zinc/28/65/07/712286507.db2.gz GTWHEKRGYVKNBN-QTKMDUPCSA-N 1 2 246.310 1.999 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711610107 712313018 /nfs/dbraw/zinc/31/30/18/712313018.db2.gz OYXMCDPRTYEKEJ-PHIMTYICSA-N 1 2 236.340 1.373 20 0 BDADLO C[C@@]1([NH2+]CC[C@@H]2CCCCO2)CCOC1=O ZINC000390626207 712422356 /nfs/dbraw/zinc/42/23/56/712422356.db2.gz JYMWCZFSSBVMJL-CMPLNLGQSA-N 1 2 227.304 1.241 20 0 BDADLO C[C@@H](NC[C@H]1CC[N@@H+]1C)c1cscn1 ZINC000712602874 712436599 /nfs/dbraw/zinc/43/65/99/712436599.db2.gz XQQRNJBQLRAKKZ-RKDXNWHRSA-N 1 2 211.334 1.498 20 0 BDADLO C[C@@H](NC[C@H]1CC[N@H+]1C)c1cscn1 ZINC000712602874 712436601 /nfs/dbraw/zinc/43/66/01/712436601.db2.gz XQQRNJBQLRAKKZ-RKDXNWHRSA-N 1 2 211.334 1.498 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795339 712449329 /nfs/dbraw/zinc/44/93/29/712449329.db2.gz JEYHUYCNKTUCES-BDAKNGLRSA-N 1 2 241.253 1.268 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795339 712449330 /nfs/dbraw/zinc/44/93/30/712449330.db2.gz JEYHUYCNKTUCES-BDAKNGLRSA-N 1 2 241.253 1.268 20 0 BDADLO COC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000714475991 712491019 /nfs/dbraw/zinc/49/10/19/712491019.db2.gz AMMXJYKBOQRFFR-MXWKQRLJSA-N 1 2 243.347 1.731 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000714507275 712493260 /nfs/dbraw/zinc/49/32/60/712493260.db2.gz KFMGPSTVPAKFNJ-VIFPVBQESA-N 1 2 234.307 1.262 20 0 BDADLO CCCn1cc(C[NH2+][C@H](C)c2cn[nH]c2)nn1 ZINC000714507273 712493291 /nfs/dbraw/zinc/49/32/91/712493291.db2.gz KFMGPSTVPAKFNJ-SECBINFHSA-N 1 2 234.307 1.262 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)ccn1 ZINC000715851168 712536608 /nfs/dbraw/zinc/53/66/08/712536608.db2.gz NAIMTXMJVGLRDZ-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cn(C)nn1 ZINC000715856129 712537082 /nfs/dbraw/zinc/53/70/82/712537082.db2.gz QOTXTISGRPEQDT-VHSXEESVSA-N 1 2 231.303 1.622 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+]Cc2cccnc2)nn1 ZINC000715860554 712537249 /nfs/dbraw/zinc/53/72/49/712537249.db2.gz LWAPMZMMEBLWLG-LLVKDONJSA-N 1 2 245.330 1.934 20 0 BDADLO CC(C)(O)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000716399702 712558450 /nfs/dbraw/zinc/55/84/50/712558450.db2.gz UJTNQXFNAPOUAG-UHFFFAOYSA-N 1 2 223.320 1.393 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)nn1 ZINC000716452336 712561885 /nfs/dbraw/zinc/56/18/85/712561885.db2.gz UBVNFEOPCRUJND-SNVBAGLBSA-N 1 2 248.334 1.570 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC000716453037 712561960 /nfs/dbraw/zinc/56/19/60/712561960.db2.gz SUGVEVICVPKNFW-ZYUZMQFOSA-N 1 2 221.304 1.939 20 0 BDADLO CCC[C@H](CCO)Nc1cc(NC)nc[nH+]1 ZINC000716908916 712581717 /nfs/dbraw/zinc/58/17/17/712581717.db2.gz LYVVZGYOQOBCTN-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO C[C@H](CC(=O)O[C@]1(C)CCOC1)n1cc[nH+]c1 ZINC000845559384 712607097 /nfs/dbraw/zinc/60/70/97/712607097.db2.gz CRWHKBOTSHPGFR-ZYHUDNBSSA-N 1 2 238.287 1.556 20 0 BDADLO CC1CC(C[N@@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931142334 712713655 /nfs/dbraw/zinc/71/36/55/712713655.db2.gz BBHAOQAMSPMSOU-ILDUYXDCSA-N 1 2 220.320 1.988 20 0 BDADLO CC1CC(C[N@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931142334 712713658 /nfs/dbraw/zinc/71/36/58/712713658.db2.gz BBHAOQAMSPMSOU-ILDUYXDCSA-N 1 2 220.320 1.988 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](CCO)C2CC2)[nH+]1 ZINC000081004443 712728951 /nfs/dbraw/zinc/72/89/51/712728951.db2.gz PGUPLJGZZJDXLW-LLVKDONJSA-N 1 2 246.314 1.839 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1=CCCCO1 ZINC000081396771 712729923 /nfs/dbraw/zinc/72/99/23/712729923.db2.gz LJSHLXWZSVZWPQ-UHFFFAOYSA-N 1 2 249.314 1.474 20 0 BDADLO Cc1nc(NC2CCC=CCC2)nc(N)[nH+]1 ZINC000718067008 712740754 /nfs/dbraw/zinc/74/07/54/712740754.db2.gz KRCYYAKCLCVOFR-UHFFFAOYSA-N 1 2 219.292 1.673 20 0 BDADLO Cc1nc(N)nc(NC2CCC=CCC2)[nH+]1 ZINC000718067008 712740756 /nfs/dbraw/zinc/74/07/56/712740756.db2.gz KRCYYAKCLCVOFR-UHFFFAOYSA-N 1 2 219.292 1.673 20 0 BDADLO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cn[nH]c1C ZINC000038014059 712798066 /nfs/dbraw/zinc/79/80/66/712798066.db2.gz PHARVGWSFMUOOV-SECBINFHSA-N 1 2 238.335 1.113 20 0 BDADLO CO[C@]1(CNc2cc[nH+]cc2F)CCSC1 ZINC000719312509 712804213 /nfs/dbraw/zinc/80/42/13/712804213.db2.gz AOPOYDXJMAVNOV-NSHDSACASA-N 1 2 242.319 1.577 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccoc1 ZINC000720581214 712854152 /nfs/dbraw/zinc/85/41/52/712854152.db2.gz BLKPCJSKLBZYSW-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](O)C[C@H]2C)s1 ZINC000705277343 957028492 /nfs/dbraw/zinc/02/84/92/957028492.db2.gz NTBLVSWBNOFSHJ-APPZFPTMSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](O)C[C@H]2C)s1 ZINC000705277343 957028508 /nfs/dbraw/zinc/02/85/08/957028508.db2.gz NTBLVSWBNOFSHJ-APPZFPTMSA-N 1 2 227.333 1.192 20 0 BDADLO COCCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001209213647 957359742 /nfs/dbraw/zinc/35/97/42/957359742.db2.gz DTNABOIOWFMDSU-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO COCCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001209213647 957359753 /nfs/dbraw/zinc/35/97/53/957359753.db2.gz DTNABOIOWFMDSU-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO Nc1[nH+]c(N2C[C@H]3[C@H](CF)[C@H]3C2)ccc1Cl ZINC001167225310 957558396 /nfs/dbraw/zinc/55/83/96/957558396.db2.gz NJGAHOSIJGRSHG-WHUPJOBBSA-N 1 2 241.697 1.969 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccncc2O)C1 ZINC001140280285 958062136 /nfs/dbraw/zinc/06/21/36/958062136.db2.gz FKTUZDDKHAVVDN-UHFFFAOYSA-N 1 2 222.288 1.396 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H]1C(F)(F)F)n1cc[nH+]c1 ZINC001347784503 958139141 /nfs/dbraw/zinc/13/91/41/958139141.db2.gz JJLXOWCMPRILAL-JGVFFNPUSA-N 1 2 247.220 1.607 20 0 BDADLO [NH3+][C@@H](CC(=O)NCC[C@H]1CC1(F)F)C(F)F ZINC000724738936 959325165 /nfs/dbraw/zinc/32/51/65/959325165.db2.gz JWZCZZFOYQDPQR-WDSKDSINSA-N 1 2 242.216 1.130 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1C ZINC000724750411 959368153 /nfs/dbraw/zinc/36/81/53/959368153.db2.gz DNNSEOTVBVLPDG-IWSPIJDZSA-N 1 2 234.290 1.616 20 0 BDADLO Cc1ncsc1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724742997 959357387 /nfs/dbraw/zinc/35/73/87/959357387.db2.gz UHIVIKRMOJJYCQ-ZCFIWIBFSA-N 1 2 249.286 1.050 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC000724775789 959441935 /nfs/dbraw/zinc/44/19/35/959441935.db2.gz HRFFJOINEBVPNP-LBPRGKRZSA-N 1 2 223.320 1.717 20 0 BDADLO CCCN(CC(F)F)C(=O)C[C@H]([NH3+])C(F)F ZINC000724772038 959430087 /nfs/dbraw/zinc/43/00/87/959430087.db2.gz OIDQSCYDQCBYGT-LURJTMIESA-N 1 2 244.232 1.473 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)n[nH]1 ZINC001203069977 960617455 /nfs/dbraw/zinc/61/74/55/960617455.db2.gz HBIXVRAHOPYBFU-KOLCDFICSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n[nH]1 ZINC001203069977 960617463 /nfs/dbraw/zinc/61/74/63/960617463.db2.gz HBIXVRAHOPYBFU-KOLCDFICSA-N 1 2 209.293 1.063 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1cc(C)[nH]n1 ZINC001203070267 960626010 /nfs/dbraw/zinc/62/60/10/960626010.db2.gz MYWYLCIVXALJMF-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001203070267 960626016 /nfs/dbraw/zinc/62/60/16/960626016.db2.gz MYWYLCIVXALJMF-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C(F)F)CCCC2)C1 ZINC001268439100 961782234 /nfs/dbraw/zinc/78/22/34/961782234.db2.gz YVGJBXQJBIBEKE-UHFFFAOYSA-N 1 2 246.301 1.632 20 0 BDADLO CC[N@H+]1CC[C@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225559463 962263875 /nfs/dbraw/zinc/26/38/75/962263875.db2.gz PZKBBHHUKKIXFX-ZETCQYMHSA-N 1 2 243.694 1.309 20 0 BDADLO CC1CCC([NH+]2CC(F)(CO)C2)CC1 ZINC001168210655 963986841 /nfs/dbraw/zinc/98/68/41/963986841.db2.gz URZSLJOSDFDWMI-UHFFFAOYSA-N 1 2 201.285 1.581 20 0 BDADLO O=C(NCC(F)(F)F)[C@H]1CC2CC[NH+]1CC2 ZINC001142624423 964709387 /nfs/dbraw/zinc/70/93/87/964709387.db2.gz SIIYUARMTQTKNG-MRVPVSSYSA-N 1 2 236.237 1.149 20 0 BDADLO COc1c[nH+]c(NCC(F)F)nc1NC1CC1 ZINC001161807834 964764381 /nfs/dbraw/zinc/76/43/81/964764381.db2.gz PYXZOACIDTXFDO-UHFFFAOYSA-N 1 2 244.245 1.737 20 0 BDADLO O=C(CCC1CC1)NC[C@H]1CC[N@H+]1CCF ZINC001483637734 965339155 /nfs/dbraw/zinc/33/91/55/965339155.db2.gz BAHYSNAFNLIWDM-LLVKDONJSA-N 1 2 228.311 1.337 20 0 BDADLO O=C(CCC1CC1)NC[C@H]1CC[N@@H+]1CCF ZINC001483637734 965339167 /nfs/dbraw/zinc/33/91/67/965339167.db2.gz BAHYSNAFNLIWDM-LLVKDONJSA-N 1 2 228.311 1.337 20 0 BDADLO CNc1cc(NCCOC2CCC2)[nH+]cn1 ZINC000690911432 965478579 /nfs/dbraw/zinc/47/85/79/965478579.db2.gz ZXMJNWGZIIWDKN-UHFFFAOYSA-N 1 2 222.292 1.499 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1F ZINC001203289637 966604530 /nfs/dbraw/zinc/60/45/30/966604530.db2.gz KFHPSVIYMQJQCK-QWRGUYRKSA-N 1 2 213.252 1.757 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1F ZINC001203289637 966604540 /nfs/dbraw/zinc/60/45/40/966604540.db2.gz KFHPSVIYMQJQCK-QWRGUYRKSA-N 1 2 213.252 1.757 20 0 BDADLO CCOC(=O)CN(Cc1[nH]c[nH+]c1C)C1CC1 ZINC001204595121 967086678 /nfs/dbraw/zinc/08/66/78/967086678.db2.gz XMNWZPAKSMUZOK-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO CCC[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000703842153 967878182 /nfs/dbraw/zinc/87/81/82/967878182.db2.gz UZGSTRKSCMOSBL-SECBINFHSA-N 1 2 224.308 1.408 20 0 BDADLO CC[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084582496 968383921 /nfs/dbraw/zinc/38/39/21/968383921.db2.gz SSCFFYHFLXMEAP-GMTAPVOTSA-N 1 2 246.301 1.237 20 0 BDADLO CC[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084582496 968383936 /nfs/dbraw/zinc/38/39/36/968383936.db2.gz SSCFFYHFLXMEAP-GMTAPVOTSA-N 1 2 246.301 1.237 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccncc2F)CC[C@H]1F ZINC001206783986 968469060 /nfs/dbraw/zinc/46/90/60/968469060.db2.gz VSMXQWQYEFEFOK-KOLCDFICSA-N 1 2 228.242 1.125 20 0 BDADLO Cc1ncc(C[NH+]2CC(C)(CO)C2)s1 ZINC001207059044 968589100 /nfs/dbraw/zinc/58/91/00/968589100.db2.gz SDVDRABGHONQDU-UHFFFAOYSA-N 1 2 212.318 1.266 20 0 BDADLO Cc1cncc(C[N@@H+](C)C2(C)COC2)c1 ZINC001207160451 968666127 /nfs/dbraw/zinc/66/61/27/968666127.db2.gz GUKMEGMAAFUFJT-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cncc(C[N@H+](C)C2(C)COC2)c1 ZINC001207160451 968666135 /nfs/dbraw/zinc/66/61/35/968666135.db2.gz GUKMEGMAAFUFJT-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CCCOC1 ZINC001207462061 968782805 /nfs/dbraw/zinc/78/28/05/968782805.db2.gz SLSVLGWKJAIOLD-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@H+]1C[C@H]1CCCOC1 ZINC001207462061 968782810 /nfs/dbraw/zinc/78/28/10/968782810.db2.gz SLSVLGWKJAIOLD-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO Cc1cc2c(cn1)C[N@H+](C[C@@H]1CCCO1)C2 ZINC001207887395 968912605 /nfs/dbraw/zinc/91/26/05/968912605.db2.gz HWVWLSSGHMMTRC-ZDUSSCGKSA-N 1 2 218.300 1.885 20 0 BDADLO Cc1cc2c(cn1)C[N@@H+](C[C@@H]1CCCO1)C2 ZINC001207887395 968912611 /nfs/dbraw/zinc/91/26/11/968912611.db2.gz HWVWLSSGHMMTRC-ZDUSSCGKSA-N 1 2 218.300 1.885 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252786394 968959582 /nfs/dbraw/zinc/95/95/82/968959582.db2.gz HRGHGBUOFZVJEW-JTQLQIEISA-N 1 2 224.304 1.502 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252786394 968959595 /nfs/dbraw/zinc/95/95/95/968959595.db2.gz HRGHGBUOFZVJEW-JTQLQIEISA-N 1 2 224.304 1.502 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1Cc2cccnc2C1 ZINC001208713241 969201025 /nfs/dbraw/zinc/20/10/25/969201025.db2.gz YALGSWJATPVZHE-SECBINFHSA-N 1 2 220.272 1.206 20 0 BDADLO COCCOC1C[NH+](C[C@H](C)C(F)(F)F)C1 ZINC001208898766 969287261 /nfs/dbraw/zinc/28/72/61/969287261.db2.gz YZSVFCUKIKZGJO-QMMMGPOBSA-N 1 2 241.253 1.532 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001253722997 969348268 /nfs/dbraw/zinc/34/82/68/969348268.db2.gz YMPJFMQHPAFZPQ-MWLCHTKSSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001253722997 969348274 /nfs/dbraw/zinc/34/82/74/969348274.db2.gz YMPJFMQHPAFZPQ-MWLCHTKSSA-N 1 2 231.311 1.396 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001253729188 969352323 /nfs/dbraw/zinc/35/23/23/969352323.db2.gz SXNYPFXLTPOPDA-LLVKDONJSA-N 1 2 223.320 1.143 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001253729188 969352325 /nfs/dbraw/zinc/35/23/25/969352325.db2.gz SXNYPFXLTPOPDA-LLVKDONJSA-N 1 2 223.320 1.143 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)[nH]1 ZINC001209566838 969550851 /nfs/dbraw/zinc/55/08/51/969550851.db2.gz VKGHEBZKWDXUIQ-LLVKDONJSA-N 1 2 222.288 1.461 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)[nH]1 ZINC001209569797 969553249 /nfs/dbraw/zinc/55/32/49/969553249.db2.gz JRSPHIYREGRBNX-NWDGAFQWSA-N 1 2 226.295 1.618 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)[nH]1 ZINC001209569797 969553253 /nfs/dbraw/zinc/55/32/53/969553253.db2.gz JRSPHIYREGRBNX-NWDGAFQWSA-N 1 2 226.295 1.618 20 0 BDADLO CC(=O)N1CCC([NH+]2CC(F)(C3CC3)C2)CC1 ZINC001254424660 969618239 /nfs/dbraw/zinc/61/82/39/969618239.db2.gz YRQKHKAGGHSDSP-UHFFFAOYSA-N 1 2 240.322 1.431 20 0 BDADLO CCOC(=O)C1([NH2+][C@H](C)COC)CCCCC1 ZINC001255563034 970346879 /nfs/dbraw/zinc/34/68/79/970346879.db2.gz JFGIQKAILVFVQX-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)CC(F)(F)F ZINC001255636870 970412600 /nfs/dbraw/zinc/41/26/00/970412600.db2.gz GADXQGZFGUHTFO-YUMQZZPRSA-N 1 2 239.237 1.965 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)CC(F)(F)F ZINC001255636870 970412610 /nfs/dbraw/zinc/41/26/10/970412610.db2.gz GADXQGZFGUHTFO-YUMQZZPRSA-N 1 2 239.237 1.965 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC001170190170 970561164 /nfs/dbraw/zinc/56/11/64/970561164.db2.gz DGLZVVNRMBTWMW-WDEREUQCSA-N 1 2 229.320 1.487 20 0 BDADLO CCc1cnc(=S)[nH]c1OC1C[NH+](C)C1 ZINC001227055098 975244661 /nfs/dbraw/zinc/24/46/61/975244661.db2.gz GMGKMRGNRGZSRR-UHFFFAOYSA-N 1 2 225.317 1.021 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc(F)nc2F)C1 ZINC001228534818 976300547 /nfs/dbraw/zinc/30/05/47/976300547.db2.gz PNXSRKGMPJTTTE-QMMMGPOBSA-N 1 2 244.241 1.069 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc(F)nc2F)C1 ZINC001228534818 976300562 /nfs/dbraw/zinc/30/05/62/976300562.db2.gz PNXSRKGMPJTTTE-QMMMGPOBSA-N 1 2 244.241 1.069 20 0 BDADLO C[C@@H](C(=O)N1CCS[C@H](C)C1)n1cc[nH+]c1 ZINC001336034485 977440915 /nfs/dbraw/zinc/44/09/15/977440915.db2.gz QMWQXFFLQBLKCV-ZJUUUORDSA-N 1 2 239.344 1.408 20 0 BDADLO Cc1cnc(Cl)c(Nc2[nH]cc[nH+]2)n1 ZINC001176081780 977875115 /nfs/dbraw/zinc/87/51/15/977875115.db2.gz DLNWVVPIGJDSQK-UHFFFAOYSA-N 1 2 209.640 1.905 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccns1 ZINC001232191771 977915719 /nfs/dbraw/zinc/91/57/19/977915719.db2.gz FCCGLGCPKZRXDG-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1ccns1 ZINC001232191771 977915727 /nfs/dbraw/zinc/91/57/27/977915727.db2.gz FCCGLGCPKZRXDG-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO Cc1scnc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC001232203367 977928620 /nfs/dbraw/zinc/92/86/20/977928620.db2.gz BJMYVXIAFVDEMY-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1scnc1C[N@H+]1CCC(=O)N(C)CC1 ZINC001232203367 977928632 /nfs/dbraw/zinc/92/86/32/977928632.db2.gz BJMYVXIAFVDEMY-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Nc1ccc(C[N@@H+]2CCOC3(CC3)C2)cn1 ZINC001232370829 978047649 /nfs/dbraw/zinc/04/76/49/978047649.db2.gz KPPHIMUDEZXQCV-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO Nc1ccc(C[N@H+]2CCOC3(CC3)C2)cn1 ZINC001232370829 978047661 /nfs/dbraw/zinc/04/76/61/978047661.db2.gz KPPHIMUDEZXQCV-UHFFFAOYSA-N 1 2 219.288 1.029 20 0 BDADLO CCCOC1CN(Cc2c[nH+]c(C)[nH]2)C1 ZINC001232461993 978102470 /nfs/dbraw/zinc/10/24/70/978102470.db2.gz HTBHGFIRAZTYDK-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CCCOC1CN(Cc2c[nH]c(C)[nH+]2)C1 ZINC001232461993 978102477 /nfs/dbraw/zinc/10/24/77/978102477.db2.gz HTBHGFIRAZTYDK-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CCc1csc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)n1 ZINC001232468972 978116943 /nfs/dbraw/zinc/11/69/43/978116943.db2.gz HIKMISKNMNSCGA-NXEZZACHSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1csc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)n1 ZINC001232468972 978116949 /nfs/dbraw/zinc/11/69/49/978116949.db2.gz HIKMISKNMNSCGA-NXEZZACHSA-N 1 2 244.335 1.610 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968492 978365439 /nfs/dbraw/zinc/36/54/39/978365439.db2.gz CVUOKHKVAUWIDV-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968492 978365451 /nfs/dbraw/zinc/36/54/51/978365451.db2.gz CVUOKHKVAUWIDV-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO CCc1ccc(N2CCC[C@](C)(O)C2)[nH+]c1 ZINC001339643599 978884951 /nfs/dbraw/zinc/88/49/51/978884951.db2.gz HMHFQISIGOSTFD-ZDUSSCGKSA-N 1 2 220.316 1.995 20 0 BDADLO CC[NH+](CC)Cc1nc(-c2nn[nH]n2)cs1 ZINC001604288044 979615026 /nfs/dbraw/zinc/61/50/26/979615026.db2.gz IFBSBSKDHWNPRO-UHFFFAOYSA-N 1 2 238.320 1.165 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C(=O)[O-])[N@H+](C)C1CC1 ZINC001604333492 979621156 /nfs/dbraw/zinc/62/11/56/979621156.db2.gz WQWLKDGMOXYHDI-GAIPPQHRSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C(=O)[O-])[N@@H+](C)C1CC1 ZINC001604333492 979621162 /nfs/dbraw/zinc/62/11/62/979621162.db2.gz WQWLKDGMOXYHDI-GAIPPQHRSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C)[NH+](C)C ZINC001604642246 979689621 /nfs/dbraw/zinc/68/96/21/979689621.db2.gz AVFBAMBFQUCIDC-WHOHXGKFSA-N 1 2 242.363 1.416 20 0 BDADLO CN1CC2(C1)C[NH+](CC1OC=CC1=S)C2 ZINC001237183483 979832484 /nfs/dbraw/zinc/83/24/84/979832484.db2.gz AVGZPCATNDJXMJ-UHFFFAOYSA-N 1 2 224.329 1.316 20 0 BDADLO C[NH+]1CC2(CN(CC3OC=CC3=S)C2)C1 ZINC001237183483 979832486 /nfs/dbraw/zinc/83/24/86/979832486.db2.gz AVGZPCATNDJXMJ-UHFFFAOYSA-N 1 2 224.329 1.316 20 0 BDADLO CN1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237181904 979834014 /nfs/dbraw/zinc/83/40/14/979834014.db2.gz JUQKJGVQWCDBEG-UHFFFAOYSA-N 1 2 212.318 1.316 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCC12COC2 ZINC001237193141 979834052 /nfs/dbraw/zinc/83/40/52/979834052.db2.gz YTIUFMUFMUIHBU-UHFFFAOYSA-N 1 2 211.286 1.543 20 0 BDADLO S=C1C=COC1C[N@H+]1CCC12COC2 ZINC001237193141 979834057 /nfs/dbraw/zinc/83/40/57/979834057.db2.gz YTIUFMUFMUIHBU-UHFFFAOYSA-N 1 2 211.286 1.543 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cscn1 ZINC001237597744 979956336 /nfs/dbraw/zinc/95/63/36/979956336.db2.gz WKNXCDHOQBBQTO-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CC([C@H](C)OC)C1 ZINC001237652051 980017070 /nfs/dbraw/zinc/01/70/70/980017070.db2.gz FJHGYENYAIJFMQ-VIFPVBQESA-N 1 2 223.320 1.439 20 0 BDADLO COc1ccc(C[NH+]2CC(C)C2)c(F)c1O ZINC001238365841 980243932 /nfs/dbraw/zinc/24/39/32/980243932.db2.gz LGQDRBPFDDCHGW-UHFFFAOYSA-N 1 2 225.263 1.992 20 0 BDADLO Cc1cnc(C[NH+]2CCOCC2)c(C)c1 ZINC001238431736 980256324 /nfs/dbraw/zinc/25/63/24/980256324.db2.gz DIRJHZGXEONBNX-UHFFFAOYSA-N 1 2 206.289 1.531 20 0 BDADLO CCN(C(=O)[C@@H]1CCC(F)(F)C1)C1C[NH+](C)C1 ZINC001186883645 980451390 /nfs/dbraw/zinc/45/13/90/980451390.db2.gz YLNTZMKQYJHNTK-SECBINFHSA-N 1 2 246.301 1.584 20 0 BDADLO O=C1[C@H]([N@@H+]2CCC[C@H](F)C2)CCN1C1CC1 ZINC001345109539 980552889 /nfs/dbraw/zinc/55/28/89/980552889.db2.gz UDZMNQUVZFGRMZ-GXSJLCMTSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@H]([N@H+]2CCC[C@H](F)C2)CCN1C1CC1 ZINC001345109539 980552899 /nfs/dbraw/zinc/55/28/99/980552899.db2.gz UDZMNQUVZFGRMZ-GXSJLCMTSA-N 1 2 226.295 1.184 20 0 BDADLO CC(C)c1ocnc1C[N@H+](C)C1(CO)CC1 ZINC001345413922 980609761 /nfs/dbraw/zinc/60/97/61/980609761.db2.gz XCTKYSTYTSFKGD-UHFFFAOYSA-N 1 2 224.304 1.755 20 0 BDADLO CC(C)c1ocnc1C[N@@H+](C)C1(CO)CC1 ZINC001345413922 980609763 /nfs/dbraw/zinc/60/97/63/980609763.db2.gz XCTKYSTYTSFKGD-UHFFFAOYSA-N 1 2 224.304 1.755 20 0 BDADLO COc1ncc(-c2ccc[nH+]c2N)cc1F ZINC001239507263 980672725 /nfs/dbraw/zinc/67/27/25/980672725.db2.gz LRVISMIZRNFEDW-UHFFFAOYSA-N 1 2 219.219 1.874 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)[C@H](O)C2)[nH+]1 ZINC001348073342 981272101 /nfs/dbraw/zinc/27/21/01/981272101.db2.gz MFFFZORBDUGMSA-OIBJUYFYSA-N 1 2 210.252 1.346 20 0 BDADLO C[C@H](CC(=O)OC[C@H]1CCO1)n1cc[nH+]c1 ZINC001349639222 981593302 /nfs/dbraw/zinc/59/33/02/981593302.db2.gz DLBZXECBEUQWNW-NXEZZACHSA-N 1 2 224.260 1.166 20 0 BDADLO C[C@H](CC(=O)OC[C@@H]1CCO1)n1cc[nH+]c1 ZINC001349639225 981595107 /nfs/dbraw/zinc/59/51/07/981595107.db2.gz DLBZXECBEUQWNW-ZJUUUORDSA-N 1 2 224.260 1.166 20 0 BDADLO CO[C@@H](C(=O)Nc1c(C)c[nH+]cc1C)C1CC1 ZINC001349791933 981741514 /nfs/dbraw/zinc/74/15/14/981741514.db2.gz QGTKDBKURZYTNT-GFCCVEGCSA-N 1 2 234.299 1.484 20 0 BDADLO Cc1ccc(C[NH+]2CCN(CCF)CC2)o1 ZINC001203297427 981892146 /nfs/dbraw/zinc/89/21/46/981892146.db2.gz AVDKSZFUQMEIIS-UHFFFAOYSA-N 1 2 226.295 1.675 20 0 BDADLO CCO[C@@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001350333262 981929008 /nfs/dbraw/zinc/92/90/08/981929008.db2.gz HSFYAOPDDKIPAR-VIFPVBQESA-N 1 2 226.276 1.371 20 0 BDADLO COC(C)(C)[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001351000448 982154851 /nfs/dbraw/zinc/15/48/51/982154851.db2.gz SKNSJFNPLMCSPL-VHSXEESVSA-N 1 2 239.319 1.374 20 0 BDADLO CCNC(=S)Nc1cc[nH+]c(CC)c1 ZINC001195310517 982196548 /nfs/dbraw/zinc/19/65/48/982196548.db2.gz ZEUIMTBOYPKIPR-UHFFFAOYSA-N 1 2 209.318 1.372 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C1(C)C ZINC000079912616 982207189 /nfs/dbraw/zinc/20/71/89/982207189.db2.gz RMTJSHLIEIXPBB-UHFFFAOYSA-N 1 2 221.304 1.530 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@H+](Cc2nncs2)C1 ZINC001351441665 982314949 /nfs/dbraw/zinc/31/49/49/982314949.db2.gz OICUBDWNBFQTHE-NSHDSACASA-N 1 2 241.360 1.379 20 0 BDADLO CC(C)[C@@]1(CO)CC[N@@H+](Cc2nncs2)C1 ZINC001351441665 982314961 /nfs/dbraw/zinc/31/49/61/982314961.db2.gz OICUBDWNBFQTHE-NSHDSACASA-N 1 2 241.360 1.379 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC001352014686 982438250 /nfs/dbraw/zinc/43/82/50/982438250.db2.gz ASKPOEQEBCWCHT-BDAKNGLRSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC001352014686 982438242 /nfs/dbraw/zinc/43/82/42/982438242.db2.gz ASKPOEQEBCWCHT-BDAKNGLRSA-N 1 2 206.293 1.753 20 0 BDADLO CC[C@@H](C)CNC(=S)NCc1c[nH+]cn1C ZINC001200235181 982717686 /nfs/dbraw/zinc/71/76/86/982717686.db2.gz QTJMNKJCILUWTC-SECBINFHSA-N 1 2 240.376 1.430 20 0 BDADLO Cc1cc[nH+]c(C(C)C)c1NC[C@H](O)CO ZINC001252056194 983146779 /nfs/dbraw/zinc/14/67/79/983146779.db2.gz FEPQALYJFOKWRD-JTQLQIEISA-N 1 2 224.304 1.279 20 0 BDADLO Nc1ccc(Nc2cncc(F)c2)c[nH+]1 ZINC001201271771 983172939 /nfs/dbraw/zinc/17/29/39/983172939.db2.gz BJCGNNXZHALUPG-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO CCCC[C@H](O)C[N@H+](C)Cc1ncccn1 ZINC001252075962 983234767 /nfs/dbraw/zinc/23/47/67/983234767.db2.gz FTTXNHRNUZKXMD-NSHDSACASA-N 1 2 223.320 1.460 20 0 BDADLO CCCC[C@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001252075962 983234770 /nfs/dbraw/zinc/23/47/70/983234770.db2.gz FTTXNHRNUZKXMD-NSHDSACASA-N 1 2 223.320 1.460 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](O)[C@@H](F)C2)[nH+]1 ZINC001354280510 983251760 /nfs/dbraw/zinc/25/17/60/983251760.db2.gz XPVMKZSCJVTSMD-UWVGGRQHSA-N 1 2 228.242 1.438 20 0 BDADLO COC(=O)CCC[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001202207384 983600053 /nfs/dbraw/zinc/60/00/53/983600053.db2.gz SKJKPTGONJTDKU-MRVPVSSYSA-N 1 2 239.237 1.619 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C1(C)CCC1 ZINC001488647048 983689128 /nfs/dbraw/zinc/68/91/28/983689128.db2.gz IXWSVJGXAYUBRB-NSHDSACASA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C1(C)CCC1 ZINC001488647048 983689131 /nfs/dbraw/zinc/68/91/31/983689131.db2.gz IXWSVJGXAYUBRB-NSHDSACASA-N 1 2 242.338 1.679 20 0 BDADLO CCNC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001202557112 984053792 /nfs/dbraw/zinc/05/37/92/984053792.db2.gz XKPJHHBCKSFORO-UHFFFAOYSA-N 1 2 222.292 1.112 20 0 BDADLO COC(=O)C1([NH2+][C@@H](C)CCOCC(C)C)CC1 ZINC001172453336 974815562 /nfs/dbraw/zinc/81/55/62/974815562.db2.gz CAWPZKFHCBFZFF-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001144108419 972578975 /nfs/dbraw/zinc/57/89/75/972578975.db2.gz WYCLSKGKBADNAG-CMPLNLGQSA-N 1 2 225.263 1.215 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001144108419 972578983 /nfs/dbraw/zinc/57/89/83/972578983.db2.gz WYCLSKGKBADNAG-CMPLNLGQSA-N 1 2 225.263 1.215 20 0 BDADLO CCOCC(COCC)OCc1c[nH+]cn1C ZINC001222594339 972594642 /nfs/dbraw/zinc/59/46/42/972594642.db2.gz FWYYIGYGMNBKMR-UHFFFAOYSA-N 1 2 242.319 1.378 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc[nH]n1 ZINC001327547018 972621731 /nfs/dbraw/zinc/62/17/31/972621731.db2.gz RECXOYQEEGGJPY-OUAUKWLOSA-N 1 2 220.320 1.958 20 0 BDADLO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc[nH]n1 ZINC001327547018 972621743 /nfs/dbraw/zinc/62/17/43/972621743.db2.gz RECXOYQEEGGJPY-OUAUKWLOSA-N 1 2 220.320 1.958 20 0 BDADLO CC(C)[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327554265 972635086 /nfs/dbraw/zinc/63/50/86/972635086.db2.gz MIBPSQPKUDVUDB-SNVBAGLBSA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327554265 972635095 /nfs/dbraw/zinc/63/50/95/972635095.db2.gz MIBPSQPKUDVUDB-SNVBAGLBSA-N 1 2 208.309 1.673 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)n[nH]1 ZINC001327950541 972827269 /nfs/dbraw/zinc/82/72/69/972827269.db2.gz QGWOEUYAICXFBZ-JOYOIKCWSA-N 1 2 223.320 1.168 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647222 972902531 /nfs/dbraw/zinc/90/25/31/972902531.db2.gz DBWAINPFWKVGTP-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647222 972902545 /nfs/dbraw/zinc/90/25/45/972902545.db2.gz DBWAINPFWKVGTP-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@H](C(=O)NCC1CC=CC1)n1cc[nH+]c1 ZINC001329088217 973472493 /nfs/dbraw/zinc/47/24/93/973472493.db2.gz ZEEXWYXVTIGKSG-SNVBAGLBSA-N 1 2 219.288 1.527 20 0 BDADLO COc1ccc(-c2ccc[nH+]c2N)c(C(N)=O)c1 ZINC001243477011 970772943 /nfs/dbraw/zinc/77/29/43/970772943.db2.gz GWRBAKMFHPMZSW-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO C[C@@H](Cc1ccccn1)[NH2+]Cc1ncon1 ZINC001256396115 970803476 /nfs/dbraw/zinc/80/34/76/970803476.db2.gz WCIMLUNPRPTLQS-VIFPVBQESA-N 1 2 218.260 1.185 20 0 BDADLO CCOC1CCC([NH2+]C2(C(=O)OC)CC2)CC1 ZINC001256424409 970830739 /nfs/dbraw/zinc/83/07/39/970830739.db2.gz JTTJQZSDSDLWLD-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cocn1 ZINC001129482729 970846124 /nfs/dbraw/zinc/84/61/24/970846124.db2.gz XSAZZPIVAABDKW-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO CN(C)c1ccc(NC2CSC2)[nH+]c1 ZINC000306256159 970882055 /nfs/dbraw/zinc/88/20/55/970882055.db2.gz WGCNCANEUUUUQB-UHFFFAOYSA-N 1 2 209.318 1.675 20 0 BDADLO CCSCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001256614745 970879206 /nfs/dbraw/zinc/87/92/06/970879206.db2.gz PNECYHGVDITPJI-JTQLQIEISA-N 1 2 241.360 1.704 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(CCn2cc[nH+]c2)o1 ZINC001256658018 970906966 /nfs/dbraw/zinc/90/69/66/970906966.db2.gz NQSFFLMSUIKVKA-BDAKNGLRSA-N 1 2 218.260 1.632 20 0 BDADLO C[C@H](Cc1ccncc1)[N@@H+]1Cc2cncnc2C1 ZINC001256736549 970963028 /nfs/dbraw/zinc/96/30/28/970963028.db2.gz QGDZZDITVWZTHT-LLVKDONJSA-N 1 2 240.310 1.818 20 0 BDADLO C[C@H](Cc1ccncc1)[N@H+]1Cc2cncnc2C1 ZINC001256736549 970963034 /nfs/dbraw/zinc/96/30/34/970963034.db2.gz QGDZZDITVWZTHT-LLVKDONJSA-N 1 2 240.310 1.818 20 0 BDADLO Cc1cc(Cl)c(C)c(NCCC(N)=O)[nH+]1 ZINC001158107043 971074282 /nfs/dbraw/zinc/07/42/82/971074282.db2.gz RORSLHGMPWGYNM-UHFFFAOYSA-N 1 2 227.695 1.639 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(/C)C(=O)OC)[C@H](C)CO1 ZINC000403914886 971089147 /nfs/dbraw/zinc/08/91/47/971089147.db2.gz CFJNSHUZPVRBHR-CIYHXPSUSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)OC)[C@H](C)CO1 ZINC000403914886 971089157 /nfs/dbraw/zinc/08/91/57/971089157.db2.gz CFJNSHUZPVRBHR-CIYHXPSUSA-N 1 2 241.331 1.605 20 0 BDADLO Fc1c[nH+]ccc1NCc1nccc(Cl)n1 ZINC001170546549 971152106 /nfs/dbraw/zinc/15/21/06/971152106.db2.gz OVPGDJOZBSTDLK-UHFFFAOYSA-N 1 2 238.653 1.698 20 0 BDADLO CCn1cc(C[NH2+]C/C=C/Cl)nn1 ZINC000404513220 971172938 /nfs/dbraw/zinc/17/29/38/971172938.db2.gz SKTQHJXKHZTZKC-ONEGZZNKSA-N 1 2 200.673 1.140 20 0 BDADLO CCC(CC)[N@@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001257301398 971190185 /nfs/dbraw/zinc/19/01/85/971190185.db2.gz FCOYLETXWXUUIS-LBPRGKRZSA-N 1 2 229.320 1.439 20 0 BDADLO CCC(CC)[N@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001257301398 971190193 /nfs/dbraw/zinc/19/01/93/971190193.db2.gz FCOYLETXWXUUIS-LBPRGKRZSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H](C)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001257306526 971197226 /nfs/dbraw/zinc/19/72/26/971197226.db2.gz UXKZUQPCFUUXDL-QMMMGPOBSA-N 1 2 240.307 1.050 20 0 BDADLO OC1CCC(C[N@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC001329896012 974008636 /nfs/dbraw/zinc/00/86/36/974008636.db2.gz VOSGVGOOWZJZAF-ILDUYXDCSA-N 1 2 249.301 1.239 20 0 BDADLO CC(=O)N[C@H]1C[C@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001170577423 971241844 /nfs/dbraw/zinc/24/18/44/971241844.db2.gz ZYGZNKUPRZAUTJ-XYPYZODXSA-N 1 2 244.298 1.642 20 0 BDADLO CSCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCF)C1 ZINC001131808060 971274258 /nfs/dbraw/zinc/27/42/58/971274258.db2.gz HWZMIYKKUIZMHD-NXEZZACHSA-N 1 2 248.367 1.288 20 0 BDADLO CSCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCF)C1 ZINC001131808060 971274267 /nfs/dbraw/zinc/27/42/67/971274267.db2.gz HWZMIYKKUIZMHD-NXEZZACHSA-N 1 2 248.367 1.288 20 0 BDADLO [NH3+][C@@H](CO)c1nnc(CCC2CCCCC2)o1 ZINC001217698879 971333974 /nfs/dbraw/zinc/33/39/74/971333974.db2.gz LTFGRERAZNNYCP-JTQLQIEISA-N 1 2 239.319 1.575 20 0 BDADLO CC[C@H](C)[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001257437948 971350821 /nfs/dbraw/zinc/35/08/21/971350821.db2.gz OSMFTMFZCHTZML-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@H](C)[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001257437948 971350825 /nfs/dbraw/zinc/35/08/25/971350825.db2.gz OSMFTMFZCHTZML-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1ccc(C[N@H+](C)CC2=NOCC2)nc1 ZINC001170615310 971356929 /nfs/dbraw/zinc/35/69/29/971356929.db2.gz XZSCLOOCNFMINK-UHFFFAOYSA-N 1 2 219.288 1.598 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC2=NOCC2)nc1 ZINC001170615310 971356942 /nfs/dbraw/zinc/35/69/42/971356942.db2.gz XZSCLOOCNFMINK-UHFFFAOYSA-N 1 2 219.288 1.598 20 0 BDADLO Cc1coc(C(=O)OCCn2cc[nH+]c2)c1C ZINC001257519520 971445687 /nfs/dbraw/zinc/44/56/87/971445687.db2.gz CXMQJYCQCFVLDS-UHFFFAOYSA-N 1 2 234.255 1.950 20 0 BDADLO CCCCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257519581 971445778 /nfs/dbraw/zinc/44/57/78/971445778.db2.gz KUPSSFSLRNKIKV-VWYCJHECSA-N 1 2 211.305 1.955 20 0 BDADLO CCCCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257519581 971445782 /nfs/dbraw/zinc/44/57/82/971445782.db2.gz KUPSSFSLRNKIKV-VWYCJHECSA-N 1 2 211.305 1.955 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2nccs2)o1 ZINC001257937668 971540575 /nfs/dbraw/zinc/54/05/75/971540575.db2.gz OREQIOADURKYIA-UHFFFAOYSA-N 1 2 238.316 1.373 20 0 BDADLO Cc1[nH]c2ccc(OC3CC(O)C3)cc2[nH+]1 ZINC001218256968 971658404 /nfs/dbraw/zinc/65/84/04/971658404.db2.gz HGGASJPSKTYDPW-UHFFFAOYSA-N 1 2 218.256 1.773 20 0 BDADLO CCOC(=O)[C@@H](Oc1cc[nH+]cc1)C1CC1 ZINC001225296534 974373098 /nfs/dbraw/zinc/37/30/98/974373098.db2.gz XBXNBWJZXVSZAB-NSHDSACASA-N 1 2 221.256 1.802 20 0 BDADLO O=C1CC[C@@H]2C[C@@H]([NH2+][C@@H]3CC3(F)F)CCN12 ZINC001172154363 974414091 /nfs/dbraw/zinc/41/40/91/974414091.db2.gz OHTGBFRJORPROB-DJLDLDEBSA-N 1 2 230.258 1.137 20 0 BDADLO CCC=CNc1ncc2c(n1)C[NH2+]CC2 ZINC001170763920 971746790 /nfs/dbraw/zinc/74/67/90/971746790.db2.gz ONSMSGUGVNPSGA-HWKANZROSA-N 1 2 204.277 1.458 20 0 BDADLO CCC=CNc1ccc2c([nH+]1)N(C)CC(=O)N2 ZINC001170766403 971759746 /nfs/dbraw/zinc/75/97/46/971759746.db2.gz HXYDEYVAQXCSGT-QPJJXVBHSA-N 1 2 232.287 1.806 20 0 BDADLO Cc1ccncc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001225410841 974470516 /nfs/dbraw/zinc/47/05/16/974470516.db2.gz HGQVEARTDMUUQO-NSHDSACASA-N 1 2 222.288 1.099 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC001172316048 974521906 /nfs/dbraw/zinc/52/19/06/974521906.db2.gz FDCDEWRBQWDLID-VWYCJHECSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H](C[NH+](C)C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225563070 974557775 /nfs/dbraw/zinc/55/77/75/974557775.db2.gz QJDCASMLSVPUPS-LURJTMIESA-N 1 2 231.683 1.165 20 0 BDADLO Nc1cccc(NC(=O)Cc2cc[nH+]c(N)c2)c1 ZINC001218826864 971949540 /nfs/dbraw/zinc/94/95/40/971949540.db2.gz FTYFHHOSYCATOX-UHFFFAOYSA-N 1 2 242.282 1.427 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)[NH+]1CC(OC(C)=O)C1 ZINC001172340573 974609438 /nfs/dbraw/zinc/60/94/38/974609438.db2.gz KNQSWSQCQZMUJF-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CC1CCC([N@H+](C)Cc2nnc[nH]2)CC1 ZINC001329863494 972022507 /nfs/dbraw/zinc/02/25/07/972022507.db2.gz VVEYGKAZXBCRJS-UHFFFAOYSA-N 1 2 208.309 1.815 20 0 BDADLO CC1CCC([N@@H+](C)Cc2nnc[nH]2)CC1 ZINC001329863494 972022516 /nfs/dbraw/zinc/02/25/16/972022516.db2.gz VVEYGKAZXBCRJS-UHFFFAOYSA-N 1 2 208.309 1.815 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2CCOC[C@H]2C)c1C(N)=O ZINC001159710602 972087308 /nfs/dbraw/zinc/08/73/08/972087308.db2.gz IIZCFVROOIYYPS-NXEZZACHSA-N 1 2 249.314 1.326 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)no1 ZINC001136372807 972143306 /nfs/dbraw/zinc/14/33/06/972143306.db2.gz LXMCLLCXZFIZIY-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)no1 ZINC001136372807 972143312 /nfs/dbraw/zinc/14/33/12/972143312.db2.gz LXMCLLCXZFIZIY-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO O=C1C[N@H+]([C@H]2CCc3cccc(F)c3C2)CCN1 ZINC001170986393 972207269 /nfs/dbraw/zinc/20/72/69/972207269.db2.gz SPCHEUDLWIYUGL-NSHDSACASA-N 1 2 248.301 1.115 20 0 BDADLO O=C1C[N@@H+]([C@H]2CCc3cccc(F)c3C2)CCN1 ZINC001170986393 972207276 /nfs/dbraw/zinc/20/72/76/972207276.db2.gz SPCHEUDLWIYUGL-NSHDSACASA-N 1 2 248.301 1.115 20 0 BDADLO CN(CCc1ccccn1)c1cc(N)nc[nH+]1 ZINC000112749987 972221111 /nfs/dbraw/zinc/22/11/11/972221111.db2.gz UXMRVVWOLXTQLH-UHFFFAOYSA-N 1 2 229.287 1.133 20 0 BDADLO CN(C)c1ccc(Nc2cnc(Cl)cn2)c[nH+]1 ZINC000396642109 957101419 /nfs/dbraw/zinc/10/14/19/957101419.db2.gz JXPJCOZQMHHFHT-UHFFFAOYSA-N 1 2 249.705 1.757 20 0 BDADLO CC1(C)CCC(NC(=O)C2(F)C[NH2+]C2)CC1 ZINC001220588036 972245725 /nfs/dbraw/zinc/24/57/25/972245725.db2.gz OBFAJYGTVNBXMC-UHFFFAOYSA-N 1 2 228.311 1.383 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncc1C ZINC000705346813 957165616 /nfs/dbraw/zinc/16/56/16/957165616.db2.gz PMYOIVHXKSERBK-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1C ZINC000705346813 957165625 /nfs/dbraw/zinc/16/56/25/957165625.db2.gz PMYOIVHXKSERBK-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CC[C@H](CCC(=O)OC)C[N@@H+]1CCCC(=O)C1 ZINC001208797201 957172272 /nfs/dbraw/zinc/17/22/72/957172272.db2.gz MCNLBFNYXWQSAA-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CC[C@H](CCC(=O)OC)C[N@H+]1CCCC(=O)C1 ZINC001208797201 957172279 /nfs/dbraw/zinc/17/22/79/957172279.db2.gz MCNLBFNYXWQSAA-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccccn2)C1 ZINC001204055556 972253063 /nfs/dbraw/zinc/25/30/63/972253063.db2.gz HOFSBCZWGUBYCL-WDEREUQCSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2ccccn2)C1 ZINC001204055556 972253066 /nfs/dbraw/zinc/25/30/66/972253066.db2.gz HOFSBCZWGUBYCL-WDEREUQCSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccccn2)C1 ZINC001204055539 972253814 /nfs/dbraw/zinc/25/38/14/972253814.db2.gz HOFSBCZWGUBYCL-QWRGUYRKSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccccn2)C1 ZINC001204055539 972253816 /nfs/dbraw/zinc/25/38/16/972253816.db2.gz HOFSBCZWGUBYCL-QWRGUYRKSA-N 1 2 224.279 1.234 20 0 BDADLO COCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209048645 957299867 /nfs/dbraw/zinc/29/98/67/957299867.db2.gz MMZBCBXOOFRILP-VIFPVBQESA-N 1 2 203.257 1.026 20 0 BDADLO COCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209048645 957299875 /nfs/dbraw/zinc/29/98/75/957299875.db2.gz MMZBCBXOOFRILP-VIFPVBQESA-N 1 2 203.257 1.026 20 0 BDADLO COc1cc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)ccn1 ZINC001209637561 957518069 /nfs/dbraw/zinc/51/80/69/957518069.db2.gz HZTGWYQWUHTWHS-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1cc(C[N@H+]2CCCC(=O)[C@@H](C)C2)ccn1 ZINC001209637561 957518072 /nfs/dbraw/zinc/51/80/72/957518072.db2.gz HZTGWYQWUHTWHS-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO CC[N@H+](Cc1cccnc1)Cc1cnccn1 ZINC001209785283 957528454 /nfs/dbraw/zinc/52/84/54/957528454.db2.gz JJFPTKUOKNAFBK-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1cccnc1)Cc1cnccn1 ZINC001209785283 957528465 /nfs/dbraw/zinc/52/84/65/957528465.db2.gz JJFPTKUOKNAFBK-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO F[C@H]1CCCC[N@H+](Cc2cncnc2)C1 ZINC001137664033 972272524 /nfs/dbraw/zinc/27/25/24/972272524.db2.gz UYVQMPKEHQECBO-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO F[C@H]1CCCC[N@@H+](Cc2cncnc2)C1 ZINC001137664033 972272528 /nfs/dbraw/zinc/27/25/28/972272528.db2.gz UYVQMPKEHQECBO-NSHDSACASA-N 1 2 209.268 1.801 20 0 BDADLO c1cc2cc(NCc3cncnc3)[nH+]cc2[nH]1 ZINC001167252886 957590671 /nfs/dbraw/zinc/59/06/71/957590671.db2.gz BGZQDIXNDLZDDE-UHFFFAOYSA-N 1 2 225.255 1.965 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000069862884 957723226 /nfs/dbraw/zinc/72/32/26/957723226.db2.gz UCAHCZWLTRSBOX-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO FC(F)[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC001136871313 972290102 /nfs/dbraw/zinc/29/01/02/972290102.db2.gz ARSOPNHGDHRTBI-QMMMGPOBSA-N 1 2 215.247 1.887 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC001136871313 972290103 /nfs/dbraw/zinc/29/01/03/972290103.db2.gz ARSOPNHGDHRTBI-QMMMGPOBSA-N 1 2 215.247 1.887 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@]3(CCO3)C2)[nH]1 ZINC001136871586 972290129 /nfs/dbraw/zinc/29/01/29/972290129.db2.gz VIHQSQDDUKMPQU-NSHDSACASA-N 1 2 207.277 1.165 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@]3(CCO3)C2)[nH]1 ZINC001136871586 972290133 /nfs/dbraw/zinc/29/01/33/972290133.db2.gz VIHQSQDDUKMPQU-NSHDSACASA-N 1 2 207.277 1.165 20 0 BDADLO COc1ccc(NC2CC(=O)C2)[nH+]c1C ZINC001167348100 957849691 /nfs/dbraw/zinc/84/96/91/957849691.db2.gz PJTKVOQQXUHOPA-UHFFFAOYSA-N 1 2 206.245 1.542 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000693195720 957858205 /nfs/dbraw/zinc/85/82/05/957858205.db2.gz GYZREBJMZKBMLV-BXKDBHETSA-N 1 2 219.288 1.525 20 0 BDADLO CC(=O)CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC001136958660 972305840 /nfs/dbraw/zinc/30/58/40/972305840.db2.gz ZBTBYXSDRGCKQX-UHFFFAOYSA-N 1 2 231.299 1.664 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cnc(C)s2)C1 ZINC001207061098 957876807 /nfs/dbraw/zinc/87/68/07/957876807.db2.gz AGJCOWWHOLZMRM-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C(C)C ZINC001136973661 972309279 /nfs/dbraw/zinc/30/92/79/972309279.db2.gz FTDOLAOCWLJSQL-LBPRGKRZSA-N 1 2 235.331 1.908 20 0 BDADLO Nc1ccc(CNC(=O)[C@]23C[C@H]2CCCC3)c[nH+]1 ZINC000693240162 958020568 /nfs/dbraw/zinc/02/05/68/958020568.db2.gz IEIPTJULQWRJTE-BXUZGUMPSA-N 1 2 245.326 1.860 20 0 BDADLO Cn1cncc1-n1c(N)[nH+]c2ccccc21 ZINC001211245690 958104919 /nfs/dbraw/zinc/10/49/19/958104919.db2.gz RDJPJTAKXYORQC-UHFFFAOYSA-N 1 2 213.244 1.341 20 0 BDADLO Cn1c[nH+]cc1-n1c(N)nc2ccccc21 ZINC001211245690 958104929 /nfs/dbraw/zinc/10/49/29/958104929.db2.gz RDJPJTAKXYORQC-UHFFFAOYSA-N 1 2 213.244 1.341 20 0 BDADLO Cn1c[nH+]cc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001211246980 958108598 /nfs/dbraw/zinc/10/85/98/958108598.db2.gz ZQGIZZWURVYABM-UHFFFAOYSA-N 1 2 225.639 1.313 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207140811 958176191 /nfs/dbraw/zinc/17/61/91/958176191.db2.gz ABQZJMVLEAJXFF-NEPJUHHUSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207140811 958176199 /nfs/dbraw/zinc/17/61/99/958176199.db2.gz ABQZJMVLEAJXFF-NEPJUHHUSA-N 1 2 235.331 1.514 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+]CCOC1CCC1)CCC2 ZINC000690707400 958223772 /nfs/dbraw/zinc/22/37/72/958223772.db2.gz SEPZGAGEIIPVKZ-GFCCVEGCSA-N 1 2 235.331 1.946 20 0 BDADLO COC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001137022025 972329366 /nfs/dbraw/zinc/32/93/66/972329366.db2.gz MFGOWUCXKZVHGH-UHFFFAOYSA-N 1 2 219.284 1.547 20 0 BDADLO CC(=O)N1CC(Nc2cc(C)c3[nH]ccc3[nH+]2)C1 ZINC001171081907 972330125 /nfs/dbraw/zinc/33/01/25/972330125.db2.gz NOPTWIYKTPIENA-UHFFFAOYSA-N 1 2 244.298 1.514 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001137031799 972332184 /nfs/dbraw/zinc/33/21/84/972332184.db2.gz HOTXMFVGIMQBBP-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001137031799 972332190 /nfs/dbraw/zinc/33/21/90/972332190.db2.gz HOTXMFVGIMQBBP-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)cn1 ZINC001137031908 972332210 /nfs/dbraw/zinc/33/22/10/972332210.db2.gz PFLSRTAWCAQXKA-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)cn1 ZINC001137031908 972332214 /nfs/dbraw/zinc/33/22/14/972332214.db2.gz PFLSRTAWCAQXKA-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO Cc1nc(N[C@H](C)C2(C)CC2)nc(N)[nH+]1 ZINC000707022700 958338819 /nfs/dbraw/zinc/33/88/19/958338819.db2.gz NYMMTPKDAPLZHU-ZCFIWIBFSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)C2(C)CC2)[nH+]1 ZINC000707022700 958338839 /nfs/dbraw/zinc/33/88/39/958338839.db2.gz NYMMTPKDAPLZHU-ZCFIWIBFSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccncn2)cnn1C ZINC001204576415 958544068 /nfs/dbraw/zinc/54/40/68/958544068.db2.gz LPOSUZXQOUDFLA-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccncn2)cnn1C ZINC001204576415 958544079 /nfs/dbraw/zinc/54/40/79/958544079.db2.gz LPOSUZXQOUDFLA-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/[C@@H]2CCCO2)o1 ZINC001327000821 972359026 /nfs/dbraw/zinc/35/90/26/972359026.db2.gz NUUZHETYNXBEGP-CYNONHLPSA-N 1 2 223.276 1.323 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001349734755 958793546 /nfs/dbraw/zinc/79/35/46/958793546.db2.gz HZANXRONJBAIND-NWDGAFQWSA-N 1 2 247.342 1.895 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2c(F)cc(F)cc2F)C1 ZINC001140533139 958800956 /nfs/dbraw/zinc/80/09/56/958800956.db2.gz VOMYWMWIKVYCOR-MRVPVSSYSA-N 1 2 245.244 1.918 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2c(F)cc(F)cc2F)C1 ZINC001140533139 958800957 /nfs/dbraw/zinc/80/09/57/958800957.db2.gz VOMYWMWIKVYCOR-MRVPVSSYSA-N 1 2 245.244 1.918 20 0 BDADLO CC[C@@H]1OC(=O)C(OCCn2cc[nH+]c2)=C1C ZINC001222134883 972381072 /nfs/dbraw/zinc/38/10/72/972381072.db2.gz RDZNLBBIKQAQQU-JTQLQIEISA-N 1 2 236.271 1.509 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCCOC[C@H]1C ZINC000399669301 958871622 /nfs/dbraw/zinc/87/16/22/958871622.db2.gz NDXXJJPNRKUETE-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCCOC[C@H]1C ZINC000399669301 958871627 /nfs/dbraw/zinc/87/16/27/958871627.db2.gz NDXXJJPNRKUETE-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CCC[C@H](CC(=O)OC)OCCn1cc[nH+]c1 ZINC001222134201 972383219 /nfs/dbraw/zinc/38/32/19/972383219.db2.gz BRAADXRCBAUTNX-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO CCOCC(COCC)OCCn1cc[nH+]c1 ZINC001222134972 972384490 /nfs/dbraw/zinc/38/44/90/972384490.db2.gz UMFMYEHRCKANLL-UHFFFAOYSA-N 1 2 242.319 1.341 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001204588527 958919293 /nfs/dbraw/zinc/91/92/93/958919293.db2.gz HTMMYGMPTYJMGJ-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001204588527 958919297 /nfs/dbraw/zinc/91/92/97/958919297.db2.gz HTMMYGMPTYJMGJ-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO CCOC(=O)[C@@H](OCCn1cc[nH+]c1)C1CC1 ZINC001222138763 972389457 /nfs/dbraw/zinc/38/94/57/972389457.db2.gz JUHSPCIWLGVEFF-NSHDSACASA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cc(NCC(C)(C)C(N)=O)ccc1[NH+](C)C ZINC001167606070 959042437 /nfs/dbraw/zinc/04/24/37/959042437.db2.gz OTVILFYCHMTZNG-UHFFFAOYSA-N 1 2 249.358 1.984 20 0 BDADLO Cc1cc([NH2+]CC(C)(C)C(N)=O)ccc1N(C)C ZINC001167606070 959042457 /nfs/dbraw/zinc/04/24/57/959042457.db2.gz OTVILFYCHMTZNG-UHFFFAOYSA-N 1 2 249.358 1.984 20 0 BDADLO Nc1cc(CNc2cnc3[nH]ccc3n2)cc[nH+]1 ZINC001167616662 959076064 /nfs/dbraw/zinc/07/60/64/959076064.db2.gz LVXXZOZQDRYICW-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO Nc1cc(CNc2ncnc3c2COC3)cc[nH+]1 ZINC001167616642 959085114 /nfs/dbraw/zinc/08/51/14/959085114.db2.gz DIWKKABDTJKVRQ-UHFFFAOYSA-N 1 2 243.270 1.096 20 0 BDADLO CCc1cc(C)nc(NCc2cc[nH+]c(N)c2)n1 ZINC001167617660 959086412 /nfs/dbraw/zinc/08/64/12/959086412.db2.gz UYNFQBMXILBHTI-UHFFFAOYSA-N 1 2 243.314 1.937 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H](C)O1 ZINC000588551569 959108370 /nfs/dbraw/zinc/10/83/70/959108370.db2.gz VFHJSTOWGOBVDI-CMIOBCHKSA-N 1 2 219.712 1.475 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H](C)O1 ZINC000588551569 959108361 /nfs/dbraw/zinc/10/83/61/959108361.db2.gz VFHJSTOWGOBVDI-CMIOBCHKSA-N 1 2 219.712 1.475 20 0 BDADLO C[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000724707450 959286992 /nfs/dbraw/zinc/28/69/92/959286992.db2.gz DMEBMTQJYSIPFZ-JGVFFNPUSA-N 1 2 220.263 1.370 20 0 BDADLO CN(Cc1ccccn1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724767732 959423997 /nfs/dbraw/zinc/42/39/97/959423997.db2.gz WSSANYABVKWXMU-VIFPVBQESA-N 1 2 243.257 1.023 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724774269 959430658 /nfs/dbraw/zinc/43/06/58/959430658.db2.gz FTUPWYUFQDFNAP-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000724774269 959430675 /nfs/dbraw/zinc/43/06/75/959430675.db2.gz FTUPWYUFQDFNAP-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC000724774269 959430684 /nfs/dbraw/zinc/43/06/84/959430684.db2.gz FTUPWYUFQDFNAP-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]c(CN2CCC(F)(F)C2)c[nH+]1 ZINC000724777871 959442411 /nfs/dbraw/zinc/44/24/11/959442411.db2.gz LIVJNXYKFVOMOS-UHFFFAOYSA-N 1 2 201.220 1.559 20 0 BDADLO Cc1[nH]cc(CN2CCC(F)(F)C2)[nH+]1 ZINC000724777871 959442415 /nfs/dbraw/zinc/44/24/15/959442415.db2.gz LIVJNXYKFVOMOS-UHFFFAOYSA-N 1 2 201.220 1.559 20 0 BDADLO CCCOC(=O)NCCc1[nH+]ccn1C ZINC000308889111 959541140 /nfs/dbraw/zinc/54/11/40/959541140.db2.gz XPNCWYZZJOTIPP-UHFFFAOYSA-N 1 2 211.265 1.099 20 0 BDADLO Nc1cc[nH+]c(O[C@H]2CCNCC2(F)F)c1 ZINC001218008117 959829993 /nfs/dbraw/zinc/82/99/93/959829993.db2.gz XCHWRCMHLMAMGR-QMMMGPOBSA-N 1 2 229.230 1.040 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CC(=O)N(C)C)c1C ZINC001140860709 959992010 /nfs/dbraw/zinc/99/20/10/959992010.db2.gz YFFCJFKYWXOBSS-UHFFFAOYSA-N 1 2 223.320 1.152 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CC(=O)N(C)C)c1C ZINC001140860709 959992017 /nfs/dbraw/zinc/99/20/17/959992017.db2.gz YFFCJFKYWXOBSS-UHFFFAOYSA-N 1 2 223.320 1.152 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCn3cncc3C2)c1C ZINC001140862773 960001515 /nfs/dbraw/zinc/00/15/15/960001515.db2.gz LYPNVWMPZSPOIO-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCn3cncc3C2)c1C ZINC001140862773 960001531 /nfs/dbraw/zinc/00/15/31/960001531.db2.gz LYPNVWMPZSPOIO-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO CNc1cc(N2CCO[C@@](C)(C3CC3)C2)nc[nH+]1 ZINC000694892753 960029324 /nfs/dbraw/zinc/02/93/24/960029324.db2.gz MOCIJVHFVAVNIX-CYBMUJFWSA-N 1 2 248.330 1.524 20 0 BDADLO CNc1cc(N2CCO[C@@](C)(C3CC3)C2)[nH+]cn1 ZINC000694892753 960029339 /nfs/dbraw/zinc/02/93/39/960029339.db2.gz MOCIJVHFVAVNIX-CYBMUJFWSA-N 1 2 248.330 1.524 20 0 BDADLO OCC[C@H]1COCC[N@@H+]1C/C=C\c1ccccc1 ZINC000694966873 960062769 /nfs/dbraw/zinc/06/27/69/960062769.db2.gz SFEGOVUECYVJAL-QZDDGCDVSA-N 1 2 247.338 1.783 20 0 BDADLO OCC[C@H]1COCC[N@H+]1C/C=C\c1ccccc1 ZINC000694966873 960062775 /nfs/dbraw/zinc/06/27/75/960062775.db2.gz SFEGOVUECYVJAL-QZDDGCDVSA-N 1 2 247.338 1.783 20 0 BDADLO Cc1noc(C2CC[NH+](Cc3ncco3)CC2)n1 ZINC001141011194 960199116 /nfs/dbraw/zinc/19/91/16/960199116.db2.gz UKSWWNCHPKFQRR-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO C[C@@H](C(=O)NCC1C[NH+](CCF)C1)C(C)(C)C ZINC001267686906 960201968 /nfs/dbraw/zinc/20/19/68/960201968.db2.gz WRRKYMCNCCTUME-JTQLQIEISA-N 1 2 244.354 1.686 20 0 BDADLO C[C@H](C(=O)NCC1C[NH+](CCF)C1)C(C)(C)C ZINC001267686908 960203267 /nfs/dbraw/zinc/20/32/67/960203267.db2.gz WRRKYMCNCCTUME-SNVBAGLBSA-N 1 2 244.354 1.686 20 0 BDADLO CCc1nc(N2CC[C@@H](C(=O)OC)[C@@H]2C)cc[nH+]1 ZINC001353277677 960210571 /nfs/dbraw/zinc/21/05/71/960210571.db2.gz KAZSVHIBTJPQPK-VHSXEESVSA-N 1 2 249.314 1.427 20 0 BDADLO CN1C(=O)CCC12CC[NH+](Cc1cocn1)CC2 ZINC001141131343 960355423 /nfs/dbraw/zinc/35/54/23/960355423.db2.gz DRQQKZUPZFWZBW-UHFFFAOYSA-N 1 2 249.314 1.261 20 0 BDADLO CC[NH2+][C@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001267805244 960380408 /nfs/dbraw/zinc/38/04/08/960380408.db2.gz OKLNCYSTQBKFKS-RQJHMYQMSA-N 1 2 244.232 1.391 20 0 BDADLO CC[NH2+][C@H](CC)CNC(=O)[C@H](F)C(F)(F)F ZINC001267805244 960380426 /nfs/dbraw/zinc/38/04/26/960380426.db2.gz OKLNCYSTQBKFKS-RQJHMYQMSA-N 1 2 244.232 1.391 20 0 BDADLO CC[NH+]1CC(NC(=O)c2csc(Cl)n2)C1 ZINC000692678866 960428079 /nfs/dbraw/zinc/42/80/79/960428079.db2.gz MJPWQQCEBPCHBH-UHFFFAOYSA-N 1 2 245.735 1.230 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140607619 960462951 /nfs/dbraw/zinc/46/29/51/960462951.db2.gz QMFOSECDOBTOHB-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140607619 960462954 /nfs/dbraw/zinc/46/29/54/960462954.db2.gz QMFOSECDOBTOHB-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO COc1nccc(C[N@@H+]2CCCC[C@@H](F)C2)n1 ZINC001140690942 960497614 /nfs/dbraw/zinc/49/76/14/960497614.db2.gz PVXNKPBQGWIGHT-SNVBAGLBSA-N 1 2 239.294 1.809 20 0 BDADLO COc1nccc(C[N@H+]2CCCC[C@@H](F)C2)n1 ZINC001140690942 960497620 /nfs/dbraw/zinc/49/76/20/960497620.db2.gz PVXNKPBQGWIGHT-SNVBAGLBSA-N 1 2 239.294 1.809 20 0 BDADLO C[C@@H]1CN(C2C[NH+](Cc3cc[nH]c3)C2)C[C@@H](C)O1 ZINC001140710943 960527384 /nfs/dbraw/zinc/52/73/84/960527384.db2.gz ZDNAALVLLSPVAP-VXGBXAGGSA-N 1 2 249.358 1.308 20 0 BDADLO C[C@@H]1C[NH+](C2CN(Cc3cc[nH]c3)C2)C[C@@H](C)O1 ZINC001140710943 960527396 /nfs/dbraw/zinc/52/73/96/960527396.db2.gz ZDNAALVLLSPVAP-VXGBXAGGSA-N 1 2 249.358 1.308 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001203060979 960533144 /nfs/dbraw/zinc/53/31/44/960533144.db2.gz VXJSWJGVBYKHJV-UHFFFAOYSA-N 1 2 249.358 1.838 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001203060979 960533161 /nfs/dbraw/zinc/53/31/61/960533161.db2.gz VXJSWJGVBYKHJV-UHFFFAOYSA-N 1 2 249.358 1.838 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+]/C=C/C(C)(C)O)on1 ZINC001203210035 960552268 /nfs/dbraw/zinc/55/22/68/960552268.db2.gz SATRLBLXKPKBLA-CYNONHLPSA-N 1 2 224.304 1.788 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccnc2)[nH]n1 ZINC001203066450 960572959 /nfs/dbraw/zinc/57/29/59/960572959.db2.gz DWPBKXGQGKVMOG-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccnc2)[nH]n1 ZINC001203066450 960572973 /nfs/dbraw/zinc/57/29/73/960572973.db2.gz DWPBKXGQGKVMOG-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC(N(C)C3COC3)C2)c1C ZINC001140862790 960643648 /nfs/dbraw/zinc/64/36/48/960643648.db2.gz MOHFELDCNWYCOR-UHFFFAOYSA-N 1 2 249.358 1.146 20 0 BDADLO Nc1cccc(F)c1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001140872776 960660359 /nfs/dbraw/zinc/66/03/59/960660359.db2.gz KDHSPHIOHBYBDD-BDAKNGLRSA-N 1 2 242.269 1.313 20 0 BDADLO Nc1cccc(F)c1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC001140872776 960660368 /nfs/dbraw/zinc/66/03/68/960660368.db2.gz KDHSPHIOHBYBDD-BDAKNGLRSA-N 1 2 242.269 1.313 20 0 BDADLO COc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1N ZINC001140894493 960681700 /nfs/dbraw/zinc/68/17/00/960681700.db2.gz GGEUBKHJPJSDCG-JTQLQIEISA-N 1 2 248.326 1.688 20 0 BDADLO COc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)cc1N ZINC001140894493 960681712 /nfs/dbraw/zinc/68/17/12/960681712.db2.gz GGEUBKHJPJSDCG-JTQLQIEISA-N 1 2 248.326 1.688 20 0 BDADLO Cc1cc(C[N@@H+](C)CC2(C)COC2)n[nH]1 ZINC001203076715 960683667 /nfs/dbraw/zinc/68/36/67/960683667.db2.gz IPFXVXGNHHJTSD-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1cc(C[N@H+](C)CC2(C)COC2)n[nH]1 ZINC001203076715 960683675 /nfs/dbraw/zinc/68/36/75/960683675.db2.gz IPFXVXGNHHJTSD-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)[nH]n1 ZINC001203081649 960754707 /nfs/dbraw/zinc/75/47/07/960754707.db2.gz YWGHOLQVMZJZTO-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)[nH]n1 ZINC001203081649 960754722 /nfs/dbraw/zinc/75/47/22/960754722.db2.gz YWGHOLQVMZJZTO-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO O=C(NC1CC[NH+](Cc2ncco2)CC1)C1CC1 ZINC001141009071 960810147 /nfs/dbraw/zinc/81/01/47/960810147.db2.gz VTQUUWUOLJUTEV-UHFFFAOYSA-N 1 2 249.314 1.165 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001141051599 960838453 /nfs/dbraw/zinc/83/84/53/960838453.db2.gz HVEHBUWVRCRGJO-VHSXEESVSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001141051599 960838460 /nfs/dbraw/zinc/83/84/60/960838460.db2.gz HVEHBUWVRCRGJO-VHSXEESVSA-N 1 2 228.267 1.135 20 0 BDADLO c1nc(C[NH+]2CCC(c3ncccn3)CC2)co1 ZINC001141129680 960877325 /nfs/dbraw/zinc/87/73/25/960877325.db2.gz OFVBCPJTTNCLAK-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO OC1C[NH+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141238107 961011568 /nfs/dbraw/zinc/01/15/68/961011568.db2.gz HFYPZWBWEDVPLG-UHFFFAOYSA-N 1 2 229.283 1.049 20 0 BDADLO C[N@H+](Cc1ncc(Br)cn1)C1CC1 ZINC001141666302 961138222 /nfs/dbraw/zinc/13/82/22/961138222.db2.gz HGLIOIOWYANSIQ-UHFFFAOYSA-N 1 2 242.120 1.833 20 0 BDADLO C[N@@H+](Cc1ncc(Br)cn1)C1CC1 ZINC001141666302 961138231 /nfs/dbraw/zinc/13/82/31/961138231.db2.gz HGLIOIOWYANSIQ-UHFFFAOYSA-N 1 2 242.120 1.833 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC001142076302 961240644 /nfs/dbraw/zinc/24/06/44/961240644.db2.gz AHCNUUMUXGDOGN-SECBINFHSA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC001142076302 961240661 /nfs/dbraw/zinc/24/06/61/961240661.db2.gz AHCNUUMUXGDOGN-SECBINFHSA-N 1 2 239.706 1.541 20 0 BDADLO COc1cc2nc(C)c(NC=[NH2+])nc2cc1OC ZINC001167864275 961330629 /nfs/dbraw/zinc/33/06/29/961330629.db2.gz DXLVYICXUUEYJD-UHFFFAOYSA-N 1 2 246.270 1.974 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1=COCC1 ZINC001142554261 961492154 /nfs/dbraw/zinc/49/21/54/961492154.db2.gz IKMGEVBLFADPCG-UHFFFAOYSA-N 1 2 229.239 1.577 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cccc2nc[nH]c21 ZINC001142672478 961584082 /nfs/dbraw/zinc/58/40/82/961584082.db2.gz AFIKBUAFPPLUSD-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cccc2nc[nH]c21 ZINC001142672478 961584098 /nfs/dbraw/zinc/58/40/98/961584098.db2.gz AFIKBUAFPPLUSD-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CC(C)(C)OC(=O)[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167909558 961813958 /nfs/dbraw/zinc/81/39/58/961813958.db2.gz OISNUJHNAGWFIA-ZDCRXTMVSA-N 1 2 241.331 1.077 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3nccn3c2)CCO1 ZINC001143022503 961868754 /nfs/dbraw/zinc/86/87/54/961868754.db2.gz QTNVUGRFKMIZHQ-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3nccn3c2)CCO1 ZINC001143022503 961868765 /nfs/dbraw/zinc/86/87/65/961868765.db2.gz QTNVUGRFKMIZHQ-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1CN(Cc2ccc3[nH+]ccn3c2)CCO1 ZINC001143022503 961868768 /nfs/dbraw/zinc/86/87/68/961868768.db2.gz QTNVUGRFKMIZHQ-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@H+](Cc1ccc(C)nc1N)C1CN(C)C1 ZINC001143207215 961945199 /nfs/dbraw/zinc/94/51/99/961945199.db2.gz SWMDWNGZWUJFCE-UHFFFAOYSA-N 1 2 234.347 1.108 20 0 BDADLO CC[N@@H+](Cc1ccc(C)nc1N)C1CN(C)C1 ZINC001143207215 961945217 /nfs/dbraw/zinc/94/52/17/961945217.db2.gz SWMDWNGZWUJFCE-UHFFFAOYSA-N 1 2 234.347 1.108 20 0 BDADLO COC(C)(C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001143319006 962018275 /nfs/dbraw/zinc/01/82/75/962018275.db2.gz MPXCCSZVBHEKMU-UHFFFAOYSA-N 1 2 234.299 1.356 20 0 BDADLO CCOC(=O)[C@H](Oc1cc[nH+]cc1)C(F)(F)F ZINC001225296556 962064531 /nfs/dbraw/zinc/06/45/31/962064531.db2.gz XVGJCTASHFNPFZ-QMMMGPOBSA-N 1 2 249.188 1.954 20 0 BDADLO CC[C@@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)CCO1 ZINC000045880556 962084628 /nfs/dbraw/zinc/08/46/28/962084628.db2.gz HZCGVCISKPNOGQ-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(CC(F)F)C(C)C ZINC001150511514 962186021 /nfs/dbraw/zinc/18/60/21/962186021.db2.gz XFSBEZLCHYRMHC-UHFFFAOYSA-N 1 2 245.273 1.763 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ncc[nH]2)c1 ZINC001152319435 962410022 /nfs/dbraw/zinc/41/00/22/962410022.db2.gz HMSAGKVCLGDFNK-UHFFFAOYSA-N 1 2 231.259 1.123 20 0 BDADLO COc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1O ZINC001152585700 962448337 /nfs/dbraw/zinc/44/83/37/962448337.db2.gz ITDOONUAMNOYSR-UHFFFAOYSA-N 1 2 247.254 1.305 20 0 BDADLO C[NH+]1CC(NC(=O)c2cccc3sccc32)C1 ZINC001153442609 962585665 /nfs/dbraw/zinc/58/56/65/962585665.db2.gz HAYZHNIWTKHTDZ-UHFFFAOYSA-N 1 2 246.335 1.945 20 0 BDADLO CN(C(=O)c1cccc2[nH+]ccn21)C1(C)COC1 ZINC001154521824 962793824 /nfs/dbraw/zinc/79/38/24/962793824.db2.gz LCNVHPKBBVOYCK-UHFFFAOYSA-N 1 2 245.282 1.195 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001154808387 962856272 /nfs/dbraw/zinc/85/62/72/962856272.db2.gz IETZDTDZWSCTQU-GMTAPVOTSA-N 1 2 233.315 1.360 20 0 BDADLO C[NH+]1CC(NC(=O)c2cc3[nH]ccc3c(F)c2)C1 ZINC001155406580 963068256 /nfs/dbraw/zinc/06/82/56/963068256.db2.gz OBOPUGQIMCISDC-UHFFFAOYSA-N 1 2 247.273 1.351 20 0 BDADLO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ncco1 ZINC000925082622 963077888 /nfs/dbraw/zinc/07/78/88/963077888.db2.gz LVBNEHYLWHTNDO-FVMDXXJSSA-N 1 2 244.360 1.872 20 0 BDADLO CSc1cc[nH+]c(N[C@@H](C)CCO)c1 ZINC001156452348 963360314 /nfs/dbraw/zinc/36/03/14/963360314.db2.gz RXUPXFGSCZXVFK-QMMMGPOBSA-N 1 2 212.318 1.986 20 0 BDADLO COc1cc(C)c[nH+]c1NCc1cncnc1 ZINC001156573665 963389623 /nfs/dbraw/zinc/38/96/23/963389623.db2.gz PMOGIZSBVYVNQH-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cc1nc(NCc2cncnc2)c2c([nH+]1)CCC2 ZINC001156573503 963391127 /nfs/dbraw/zinc/39/11/27/963391127.db2.gz LFASTRFOEGWKIV-UHFFFAOYSA-N 1 2 241.298 1.676 20 0 BDADLO Nc1[nH+]c(NCc2cncnc2)ccc1Cl ZINC001156575617 963391648 /nfs/dbraw/zinc/39/16/48/963391648.db2.gz IOTHBBHIGLXNJB-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Cc1nc(NCc2cccnn2)c2c([nH+]1)CCC2 ZINC001156603825 963401282 /nfs/dbraw/zinc/40/12/82/963401282.db2.gz QWQXDMNMLNYQAH-UHFFFAOYSA-N 1 2 241.298 1.676 20 0 BDADLO COc1cc(NCc2cc[nH+]c(N)c2)nc(C)n1 ZINC001156756732 963453423 /nfs/dbraw/zinc/45/34/23/963453423.db2.gz FGGDKKWHEGMKRN-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1ncnc(NCc2cc[nH+]c(N)c2)c1C ZINC001156756577 963454178 /nfs/dbraw/zinc/45/41/78/963454178.db2.gz AKKIUALGVIYACN-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO Nc1cc(CNc2ccc(C3CC3)nn2)cc[nH+]1 ZINC001156757090 963455278 /nfs/dbraw/zinc/45/52/78/963455278.db2.gz KYUOABMKEZNJRL-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)nc[nH+]2)nn1C ZINC001156945695 963497793 /nfs/dbraw/zinc/49/77/93/963497793.db2.gz MUZMYYDNDXRSDD-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)[nH+]cn2)nn1C ZINC001156945695 963497800 /nfs/dbraw/zinc/49/78/00/963497800.db2.gz MUZMYYDNDXRSDD-UHFFFAOYSA-N 1 2 246.318 1.197 20 0 BDADLO Nc1[nH]c2cc(C(=O)N3CC=CC3)ccc2[nH+]1 ZINC001156965251 963503318 /nfs/dbraw/zinc/50/33/18/963503318.db2.gz YPQRKTYZFNTOMV-UHFFFAOYSA-N 1 2 228.255 1.157 20 0 BDADLO CC[C@@H](C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156974974 963505500 /nfs/dbraw/zinc/50/55/00/963505500.db2.gz DEULTTIFJDXGJF-SSDOTTSWSA-N 1 2 232.287 1.673 20 0 BDADLO COc1cccc2c(NC=[NH2+])ncnc12 ZINC001157073379 963520981 /nfs/dbraw/zinc/52/09/81/963520981.db2.gz IWRIYXBZNZTGKU-UHFFFAOYSA-N 1 2 202.217 1.657 20 0 BDADLO CCOC(=O)c1cnc(Cl)cc1NC=[NH2+] ZINC001157073345 963522150 /nfs/dbraw/zinc/52/21/50/963522150.db2.gz HZNZOQVZZNAOLP-UHFFFAOYSA-N 1 2 227.651 1.931 20 0 BDADLO C=C/C=C/CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001157168086 963549319 /nfs/dbraw/zinc/54/93/19/963549319.db2.gz IHKNQIHCAPXETM-AATRIKPKSA-N 1 2 249.314 1.485 20 0 BDADLO [NH3+]CC1(C(=O)NO[C@@H]2CCCCO2)CCCC1 ZINC000163239442 963579880 /nfs/dbraw/zinc/57/98/80/963579880.db2.gz UVFVMWBWDVPZMP-SNVBAGLBSA-N 1 2 242.319 1.080 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](NC(=O)C3CC3)C2)cc[nH+]1 ZINC001059542374 963581007 /nfs/dbraw/zinc/58/10/07/963581007.db2.gz NOFHCLLVPHBJPI-PHIMTYICSA-N 1 2 246.314 1.254 20 0 BDADLO Cc1cc(N(C)CCO)nc(C(C)(C)C)[nH+]1 ZINC001157390550 963591591 /nfs/dbraw/zinc/59/15/91/963591591.db2.gz VWELMVLUCIMEKY-UHFFFAOYSA-N 1 2 223.320 1.511 20 0 BDADLO CCN(c1nccc(C)c1F)C1C[NH+](C)C1 ZINC001157456301 963615038 /nfs/dbraw/zinc/61/50/38/963615038.db2.gz MHPAUZDBICEDCM-UHFFFAOYSA-N 1 2 223.295 1.669 20 0 BDADLO CCN(c1nc(Cl)ncc1F)C1C[NH+](C)C1 ZINC001157454499 963615247 /nfs/dbraw/zinc/61/52/47/963615247.db2.gz YZRATFJHACRTKB-UHFFFAOYSA-N 1 2 244.701 1.409 20 0 BDADLO CCN(c1ncccc1F)C1C[NH+](C)C1 ZINC001157453597 963615485 /nfs/dbraw/zinc/61/54/85/963615485.db2.gz ICVXOMHNTCHVHO-UHFFFAOYSA-N 1 2 209.268 1.361 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](CO)C2)c2c([nH+]1)CCC2 ZINC001157464040 963621844 /nfs/dbraw/zinc/62/18/44/963621844.db2.gz LMDXJXIBIAZEND-AOOOYVTPSA-N 1 2 233.315 1.457 20 0 BDADLO Cc1c[nH]c(CCNC(=O)Cc2ccncc2)[nH+]1 ZINC001142184066 963747531 /nfs/dbraw/zinc/74/75/31/963747531.db2.gz JDIBVOWFPOZKPD-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO C[C@H]1C[C@@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112089 963752291 /nfs/dbraw/zinc/75/22/91/963752291.db2.gz BSADXNZPKSCFHR-UWVGGRQHSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@H]1C[C@@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112089 963752296 /nfs/dbraw/zinc/75/22/96/963752296.db2.gz BSADXNZPKSCFHR-UWVGGRQHSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@H]1C[C@@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001168112089 963752301 /nfs/dbraw/zinc/75/23/01/963752301.db2.gz BSADXNZPKSCFHR-UWVGGRQHSA-N 1 2 234.290 1.094 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCO[C@H](C)C2)no1 ZINC001168114682 963762614 /nfs/dbraw/zinc/76/26/14/963762614.db2.gz JIDIIEIEQQMENT-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCO[C@H](C)C2)no1 ZINC001168114682 963762622 /nfs/dbraw/zinc/76/26/22/963762622.db2.gz JIDIIEIEQQMENT-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO CCCNc1[nH+]cnc2[nH]cc([S@@](C)=O)c21 ZINC001168133234 963824800 /nfs/dbraw/zinc/82/48/00/963824800.db2.gz ZXQBYEOTNBJWLU-MRXNPFEDSA-N 1 2 238.316 1.469 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)cn1 ZINC000053801520 963835007 /nfs/dbraw/zinc/83/50/07/963835007.db2.gz APBSAUXNOLJESV-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO Cn1c[nH+]cc1CN1CCc2cccnc2C1 ZINC001204386559 963922561 /nfs/dbraw/zinc/92/25/61/963922561.db2.gz GASWFVYPNLMKTN-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cc1cc(NC2(CO)COC2)ccc1[NH+](C)C ZINC001168179137 963927300 /nfs/dbraw/zinc/92/73/00/963927300.db2.gz CQQGYNXKSIIGCW-UHFFFAOYSA-N 1 2 236.315 1.234 20 0 BDADLO Nc1cn2ccc(N[C@H]3C[C@@H](CO)C3)cc2[nH+]1 ZINC001168243301 964043439 /nfs/dbraw/zinc/04/34/39/964043439.db2.gz LJEJNEAIMCDRJP-WAAGHKOSSA-N 1 2 232.287 1.099 20 0 BDADLO COc1cc[nH+]cc1N[C@H]1C[C@@H](CO)C1 ZINC001168242819 964050727 /nfs/dbraw/zinc/05/07/27/964050727.db2.gz DEIHWLJWJZOORR-DTORHVGOSA-N 1 2 208.261 1.273 20 0 BDADLO [NH3+][C@@H](CO)c1nnc(-c2cccc(Cl)c2)o1 ZINC000714545859 964063469 /nfs/dbraw/zinc/06/34/69/964063469.db2.gz DJFUYBOBMLNUPX-QMMMGPOBSA-N 1 2 239.662 1.382 20 0 BDADLO COC(C)(CNc1cc(N)cc(Cl)[nH+]1)OC ZINC001159377790 964074831 /nfs/dbraw/zinc/07/48/31/964074831.db2.gz RQEMGHGFPDEYRU-UHFFFAOYSA-N 1 2 245.710 1.738 20 0 BDADLO COc1ccc2c(c1)C[C@@H]([NH+]1CC(N(C)C)C1)C2 ZINC001168263891 964105680 /nfs/dbraw/zinc/10/56/80/964105680.db2.gz PWXNXZXREYBGOZ-ZDUSSCGKSA-N 1 2 246.354 1.408 20 0 BDADLO CNc1cc(NC2CC(F)(F)C2)nc[nH+]1 ZINC000697539827 964243832 /nfs/dbraw/zinc/24/38/32/964243832.db2.gz BHQUWXQFFNYSCA-UHFFFAOYSA-N 1 2 214.219 1.728 20 0 BDADLO CNc1cc(NC2CC(F)(F)C2)[nH+]cn1 ZINC000697539827 964243844 /nfs/dbraw/zinc/24/38/44/964243844.db2.gz BHQUWXQFFNYSCA-UHFFFAOYSA-N 1 2 214.219 1.728 20 0 BDADLO c1cncc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095640 964258433 /nfs/dbraw/zinc/25/84/33/964258433.db2.gz RPMYEGWFDJIVBF-UHFFFAOYSA-N 1 2 216.244 1.337 20 0 BDADLO Cc1cnccc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095672 964258580 /nfs/dbraw/zinc/25/85/80/964258580.db2.gz TZGXCJVUEIEBDN-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC[C@@H](C)CO)[nH+]1 ZINC001160602255 964350870 /nfs/dbraw/zinc/35/08/70/964350870.db2.gz GFKFJVXEKCDICZ-MRVPVSSYSA-N 1 2 234.303 1.648 20 0 BDADLO CCOCCC(=O)NCCOc1cc[nH+]cc1 ZINC001142527758 964369562 /nfs/dbraw/zinc/36/95/62/964369562.db2.gz PXGDKJCNUOJDSD-UHFFFAOYSA-N 1 2 238.287 1.003 20 0 BDADLO O=c1cc[nH]cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213030807 964550687 /nfs/dbraw/zinc/55/06/87/964550687.db2.gz SAJAWIAIQSQTJF-UHFFFAOYSA-N 1 2 226.239 1.995 20 0 BDADLO CCc1ncc(F)c(NCCCn2cc[nH+]c2)n1 ZINC001161682722 964683288 /nfs/dbraw/zinc/68/32/88/964683288.db2.gz XQYFFHJHKISUBI-UHFFFAOYSA-N 1 2 249.293 1.877 20 0 BDADLO CCc1ncncc1NCCCn1cc[nH+]c1 ZINC001161688688 964687803 /nfs/dbraw/zinc/68/78/03/964687803.db2.gz ZYNJAAVMMPJOKI-UHFFFAOYSA-N 1 2 231.303 1.738 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CC2CC[NH+]1CC2 ZINC001142626053 964712361 /nfs/dbraw/zinc/71/23/61/964712361.db2.gz CLXWOTJPXVHHPB-JTQLQIEISA-N 1 2 221.260 1.097 20 0 BDADLO CCN(C)c1cc(N[C@@H](CO)C(C)C)[nH+]cn1 ZINC001161735300 964718940 /nfs/dbraw/zinc/71/89/40/964718940.db2.gz JGCUSRCVUDQSNO-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO CCN(C)c1cc(N[C@@H](CO)C(C)C)nc[nH+]1 ZINC001161735300 964718946 /nfs/dbraw/zinc/71/89/46/964718946.db2.gz JGCUSRCVUDQSNO-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO c1ccc(C[NH+]2CC(OC[C@H]3CCOC3)C2)cc1 ZINC001224488268 964724121 /nfs/dbraw/zinc/72/41/21/964724121.db2.gz UIHVJWDWZOEAAV-AWEZNQCLSA-N 1 2 247.338 1.924 20 0 BDADLO c1ccc(C[NH+]2CC(OC[C@@H]3CCOC3)C2)cc1 ZINC001224488272 964725534 /nfs/dbraw/zinc/72/55/34/964725534.db2.gz UIHVJWDWZOEAAV-CQSZACIVSA-N 1 2 247.338 1.924 20 0 BDADLO CCC[NH2+]C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001483129927 964735831 /nfs/dbraw/zinc/73/58/31/964735831.db2.gz MEQKZSPFYSXACK-RQJHMYQMSA-N 1 2 244.232 1.391 20 0 BDADLO CCC[NH2+]C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001483129927 964735837 /nfs/dbraw/zinc/73/58/37/964735837.db2.gz MEQKZSPFYSXACK-RQJHMYQMSA-N 1 2 244.232 1.391 20 0 BDADLO C=C(C)CN(CC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC000056969488 964754841 /nfs/dbraw/zinc/75/48/41/964754841.db2.gz HVMKVMMMLJDSJV-NSHDSACASA-N 1 2 221.304 1.869 20 0 BDADLO C=Cc1ccc(NC[C@@H]([NH3+])C(=O)OCC)nc1 ZINC001161950028 964833635 /nfs/dbraw/zinc/83/36/35/964833635.db2.gz OEWMRQGCQPTTFQ-SNVBAGLBSA-N 1 2 235.287 1.027 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3nc[nH]c32)CCC1=O ZINC001142673104 964884063 /nfs/dbraw/zinc/88/40/63/964884063.db2.gz ZKDLVSMMWFSBMO-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3nc[nH]c32)CCC1=O ZINC001142673104 964884068 /nfs/dbraw/zinc/88/40/68/964884068.db2.gz ZKDLVSMMWFSBMO-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO CN(C)c1ccc(NC[C@@H](O)c2ccco2)[nH+]c1 ZINC001162260897 964894087 /nfs/dbraw/zinc/89/40/87/964894087.db2.gz KGLMFCZJNHGUPU-LLVKDONJSA-N 1 2 247.298 1.886 20 0 BDADLO Cc1oncc1CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001162266687 964896114 /nfs/dbraw/zinc/89/61/14/964896114.db2.gz OATHJOGXYVOLMF-UHFFFAOYSA-N 1 2 247.233 1.957 20 0 BDADLO COc1c[nH+]c(NCc2ncon2)c2[nH]ccc21 ZINC001162275657 964902865 /nfs/dbraw/zinc/90/28/65/964902865.db2.gz CJEKQJBVJPELAG-UHFFFAOYSA-N 1 2 245.242 1.567 20 0 BDADLO Cc1cc[nH+]c(C)c1NCc1ncon1 ZINC001162281493 964906951 /nfs/dbraw/zinc/90/69/51/964906951.db2.gz LTSZLAOOBDMAIY-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO c1cc2c(nc[nH+]c2NCCN2CCCCO2)[nH]1 ZINC001162420556 964972999 /nfs/dbraw/zinc/97/29/99/964972999.db2.gz QNQOAUJQZWOZGD-UHFFFAOYSA-N 1 2 247.302 1.397 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@@H]1CCCNC(=O)C1 ZINC001162454531 964984610 /nfs/dbraw/zinc/98/46/10/964984610.db2.gz QVMUTZOSOIVDMP-SNVBAGLBSA-N 1 2 249.314 1.479 20 0 BDADLO CCc1ccc(N[C@H]2CCS(=O)(=O)C2)[nH+]c1 ZINC001162500080 964999442 /nfs/dbraw/zinc/99/94/42/964999442.db2.gz SPVHKSUXTGDEMR-JTQLQIEISA-N 1 2 240.328 1.243 20 0 BDADLO C/C(=C\C=C\N)[NH2+][C@@H]1c2cc(C)ccc2NC1=O ZINC001162570384 965054317 /nfs/dbraw/zinc/05/43/17/965054317.db2.gz MTINKNJABFWONZ-OUHCZZAQSA-N 1 2 243.310 1.954 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1cn2ncnc2cn1 ZINC001162664330 965099663 /nfs/dbraw/zinc/09/96/63/965099663.db2.gz DXEPUXQEGKHHNC-UHFFFAOYSA-N 1 2 218.264 1.560 20 0 BDADLO O=C1CC(CNc2c[nH+]c3c(c2)CCC3)C1 ZINC001168394684 965134315 /nfs/dbraw/zinc/13/43/15/965134315.db2.gz OEJKZVMIYXQWRH-UHFFFAOYSA-N 1 2 216.284 1.961 20 0 BDADLO CCOC(=[NH2+])CCCCO[C@@H]1COC(=O)C1 ZINC001224960286 965163396 /nfs/dbraw/zinc/16/33/96/965163396.db2.gz AAMPIMOOQZLDCT-VIFPVBQESA-N 1 2 229.276 1.503 20 0 BDADLO CCOC(=[NH2+])CCCCO[C@@H]1CCOC1=O ZINC001224964370 965171639 /nfs/dbraw/zinc/17/16/39/965171639.db2.gz XZAGFUHWEQJYGQ-SECBINFHSA-N 1 2 229.276 1.503 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168400515 965200861 /nfs/dbraw/zinc/20/08/61/965200861.db2.gz NWCDPYVQJYNPOP-STQMWFEESA-N 1 2 249.285 1.588 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1CNC(=O)C1(C)C ZINC001163011573 965230961 /nfs/dbraw/zinc/23/09/61/965230961.db2.gz LMGGAZXQDHXZKU-JTQLQIEISA-N 1 2 249.314 1.335 20 0 BDADLO CC(C)c1ccc(NC[C@H]2CNC(=O)O2)[nH+]c1 ZINC001163018230 965232171 /nfs/dbraw/zinc/23/21/71/965232171.db2.gz FRJUXISJJSAWCR-JTQLQIEISA-N 1 2 235.287 1.725 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H](O)c1ccccc1 ZINC000059219609 965245402 /nfs/dbraw/zinc/24/54/02/965245402.db2.gz PBSPIPJQUGNFJM-LBPRGKRZSA-N 1 2 246.266 1.160 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cc3cc[nH]c3cn2)C[C@@H]1F ZINC001231664139 965278778 /nfs/dbraw/zinc/27/87/78/965278778.db2.gz UFYYMBWWVCLFHS-WCQYABFASA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cc3cc[nH]c3cn2)C[C@@H]1F ZINC001231664139 965278786 /nfs/dbraw/zinc/27/87/86/965278786.db2.gz UFYYMBWWVCLFHS-WCQYABFASA-N 1 2 249.289 1.468 20 0 BDADLO CCCC(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001483625833 965296134 /nfs/dbraw/zinc/29/61/34/965296134.db2.gz NKUOUJBHKGMCIJ-YVGDHZEHSA-N 1 2 230.739 1.730 20 0 BDADLO CCCC(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001483625833 965296144 /nfs/dbraw/zinc/29/61/44/965296144.db2.gz NKUOUJBHKGMCIJ-YVGDHZEHSA-N 1 2 230.739 1.730 20 0 BDADLO COC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001120562733 965336752 /nfs/dbraw/zinc/33/67/52/965336752.db2.gz CWNVAZAZULDKTH-GHMZBOCLSA-N 1 2 249.314 1.151 20 0 BDADLO COC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001120562733 965336765 /nfs/dbraw/zinc/33/67/65/965336765.db2.gz CWNVAZAZULDKTH-GHMZBOCLSA-N 1 2 249.314 1.151 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC3(CC3)C2)c(C)n1 ZINC001232337664 965348055 /nfs/dbraw/zinc/34/80/55/965348055.db2.gz MMXSOKVMWDOWNS-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1ccc(C[N@H+]2CCOC3(CC3)C2)c(C)n1 ZINC001232337664 965348068 /nfs/dbraw/zinc/34/80/68/965348068.db2.gz MMXSOKVMWDOWNS-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2cc(N)c(C)cn2)[nH]n1 ZINC001163511785 965422799 /nfs/dbraw/zinc/42/27/99/965422799.db2.gz LHBDZGDZPZTROG-UHFFFAOYSA-N 1 2 245.290 1.035 20 0 BDADLO COc1c[nH+]c(N2CCC2)nc1NC(C)C ZINC001163533297 965429711 /nfs/dbraw/zinc/42/97/11/965429711.db2.gz VDZIFGJEGLJNLU-UHFFFAOYSA-N 1 2 222.292 1.516 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CC[C@@H]1F ZINC001233314458 965487102 /nfs/dbraw/zinc/48/71/02/965487102.db2.gz ZAALMAXZOBMHMO-DTWKUNHWSA-N 1 2 233.670 1.838 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)CC[C@@H]1F ZINC001233314458 965487109 /nfs/dbraw/zinc/48/71/09/965487109.db2.gz ZAALMAXZOBMHMO-DTWKUNHWSA-N 1 2 233.670 1.838 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CCCOC1 ZINC001121231070 965524003 /nfs/dbraw/zinc/52/40/03/965524003.db2.gz HMKVDDKRJGFRPJ-LBPRGKRZSA-N 1 2 248.326 1.876 20 0 BDADLO COCC1CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001163732720 965549715 /nfs/dbraw/zinc/54/97/15/965549715.db2.gz PGBMPFCEPOVSEA-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(C)c1ccsc1 ZINC001163837175 965607337 /nfs/dbraw/zinc/60/73/37/965607337.db2.gz ZIBNLBVHKJEGDB-SNVBAGLBSA-N 1 2 224.329 1.805 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(C)c1ccsc1 ZINC001163837175 965607340 /nfs/dbraw/zinc/60/73/40/965607340.db2.gz ZIBNLBVHKJEGDB-SNVBAGLBSA-N 1 2 224.329 1.805 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000913727668 965648672 /nfs/dbraw/zinc/64/86/72/965648672.db2.gz QOWUOJWOWBNYKP-RNFRBKRXSA-N 1 2 233.193 1.019 20 0 BDADLO Nc1ccc(N2CC(F)(F)CC[C@H]2CO)[nH+]c1 ZINC001164025611 965702288 /nfs/dbraw/zinc/70/22/88/965702288.db2.gz KLZCVZUPALSHFY-VIFPVBQESA-N 1 2 243.257 1.260 20 0 BDADLO COc1cc(C)c[nH+]c1N1C[C@@H](OC)[C@@H](F)C1 ZINC001164130156 965748155 /nfs/dbraw/zinc/74/81/55/965748155.db2.gz ZXPZJRRTHRZEDB-GXSJLCMTSA-N 1 2 240.278 1.572 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@](C)(CO)C1 ZINC001164143296 965756169 /nfs/dbraw/zinc/75/61/69/965756169.db2.gz KKNYQORDHCPPLD-ZDUSSCGKSA-N 1 2 236.315 1.607 20 0 BDADLO C[C@@H](COc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000699334098 965845091 /nfs/dbraw/zinc/84/50/91/965845091.db2.gz HZVHOCFFTKRCHM-NSHDSACASA-N 1 2 231.299 1.967 20 0 BDADLO C[C@H](COc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000699334097 965845912 /nfs/dbraw/zinc/84/59/12/965845912.db2.gz HZVHOCFFTKRCHM-LLVKDONJSA-N 1 2 231.299 1.967 20 0 BDADLO Cc1nc(N2CC[C@](C)(O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001164351947 965855875 /nfs/dbraw/zinc/85/58/75/965855875.db2.gz DXNYOPUYYFNYHS-XPTSAGLGSA-N 1 2 249.358 1.999 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2nccn2C)C1 ZINC001205111784 965860296 /nfs/dbraw/zinc/86/02/96/965860296.db2.gz LXMWKWCAIIWQQE-UWVGGRQHSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2nccn2C)C1 ZINC001205111784 965860301 /nfs/dbraw/zinc/86/03/01/965860301.db2.gz LXMWKWCAIIWQQE-UWVGGRQHSA-N 1 2 211.284 1.600 20 0 BDADLO CCc1cnc(N2CC[NH2+]CC(F)(F)C2)nc1 ZINC001164488956 965896366 /nfs/dbraw/zinc/89/63/66/965896366.db2.gz SXASCCOULKZGGP-UHFFFAOYSA-N 1 2 242.273 1.084 20 0 BDADLO Cc1cnc(C)nc1N1CC[NH2+]CC(F)(F)C1 ZINC001164493425 965896885 /nfs/dbraw/zinc/89/68/85/965896885.db2.gz WZYHIIGQSWZHIX-UHFFFAOYSA-N 1 2 242.273 1.138 20 0 BDADLO COc1ccc(N(C)C(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001165217765 965983049 /nfs/dbraw/zinc/98/30/49/965983049.db2.gz WVOFIMDAFNLJJH-UHFFFAOYSA-N 1 2 245.282 1.624 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@]3(CCOC3)C2)c1 ZINC001165252039 966005163 /nfs/dbraw/zinc/00/51/63/966005163.db2.gz YCAQIQZCUGAEFJ-AWEZNQCLSA-N 1 2 248.326 1.845 20 0 BDADLO CN(C[C@H](O)CO)c1ccc(C(C)(C)C)c[nH+]1 ZINC001165533797 966119176 /nfs/dbraw/zinc/11/91/76/966119176.db2.gz AYYHHGGAHYHKKH-NSHDSACASA-N 1 2 238.331 1.169 20 0 BDADLO O=C([C@@H]1C[C@@H]1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001123644577 966232266 /nfs/dbraw/zinc/23/22/66/966232266.db2.gz LVHFXYWPASUJGI-BBBLOLIVSA-N 1 2 237.278 1.474 20 0 BDADLO Cc1c(F)cc[nH+]c1N1Cc2cnn(C)c2C1 ZINC001166762544 966397127 /nfs/dbraw/zinc/39/71/27/966397127.db2.gz RVVCEYDUJKCMOJ-UHFFFAOYSA-N 1 2 232.262 1.783 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C(F)F ZINC001142783801 966441645 /nfs/dbraw/zinc/44/16/45/966441645.db2.gz OYSGTYTXUHKSNX-UHFFFAOYSA-N 1 2 212.199 1.196 20 0 BDADLO CCN(c1nc(C)[nH+]c(C)c1C)C1COC1 ZINC001166943797 966446637 /nfs/dbraw/zinc/44/66/37/966446637.db2.gz ZNNRZQUWZBTXLB-UHFFFAOYSA-N 1 2 221.304 1.627 20 0 BDADLO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353383362 966459284 /nfs/dbraw/zinc/45/92/84/966459284.db2.gz FHORVSUGERXYIU-PWSUYJOCSA-N 1 2 245.330 1.662 20 0 BDADLO CCN(c1cc(N)cc(Cl)[nH+]1)C1COC1 ZINC001166941685 966463091 /nfs/dbraw/zinc/46/30/91/966463091.db2.gz GSIOOSLRFWFAHU-UHFFFAOYSA-N 1 2 227.695 1.542 20 0 BDADLO CCN(c1nc(NC2CC2)c(C)c[nH+]1)C1COC1 ZINC001166942180 966466066 /nfs/dbraw/zinc/46/60/66/966466066.db2.gz CXENZMXHXQOYPS-UHFFFAOYSA-N 1 2 248.330 1.584 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001203206953 966542633 /nfs/dbraw/zinc/54/26/33/966542633.db2.gz ZIUYSYMHNVAXTR-ZDUSSCGKSA-N 1 2 243.314 1.407 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001203206953 966542644 /nfs/dbraw/zinc/54/26/44/966542644.db2.gz ZIUYSYMHNVAXTR-ZDUSSCGKSA-N 1 2 243.314 1.407 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001203206953 966542654 /nfs/dbraw/zinc/54/26/54/966542654.db2.gz ZIUYSYMHNVAXTR-ZDUSSCGKSA-N 1 2 243.314 1.407 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001203206953 966542662 /nfs/dbraw/zinc/54/26/62/966542662.db2.gz ZIUYSYMHNVAXTR-ZDUSSCGKSA-N 1 2 243.314 1.407 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001203206953 966542673 /nfs/dbraw/zinc/54/26/73/966542673.db2.gz ZIUYSYMHNVAXTR-ZDUSSCGKSA-N 1 2 243.314 1.407 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001203206953 966542682 /nfs/dbraw/zinc/54/26/82/966542682.db2.gz ZIUYSYMHNVAXTR-ZDUSSCGKSA-N 1 2 243.314 1.407 20 0 BDADLO Clc1cnc2c(c1)C[N@@H+](Cc1cn[nH]n1)CC2 ZINC001203211128 966554550 /nfs/dbraw/zinc/55/45/50/966554550.db2.gz AVMIBJHZGAJIQK-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1cnc2c(c1)C[N@H+](Cc1cn[nH]n1)CC2 ZINC001203211128 966554564 /nfs/dbraw/zinc/55/45/64/966554564.db2.gz AVMIBJHZGAJIQK-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CCc1cc(C[N@H+](C)CC(OC)OC)on1 ZINC001203226233 966569118 /nfs/dbraw/zinc/56/91/18/966569118.db2.gz JFOIHNCVUDXOFH-UHFFFAOYSA-N 1 2 228.292 1.288 20 0 BDADLO CCc1cc(C[N@@H+](C)CC(OC)OC)on1 ZINC001203226233 966569137 /nfs/dbraw/zinc/56/91/37/966569137.db2.gz JFOIHNCVUDXOFH-UHFFFAOYSA-N 1 2 228.292 1.288 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccco2)C1 ZINC001203278181 966601035 /nfs/dbraw/zinc/60/10/35/966601035.db2.gz FCFRKUFZUSUKJM-UHFFFAOYSA-N 1 2 209.245 1.275 20 0 BDADLO Cc1c[nH+]c(Nc2ccc(C(N)=O)nc2)c(C)c1 ZINC001203431152 966642759 /nfs/dbraw/zinc/64/27/59/966642759.db2.gz QRXRFKGDWGHKDN-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)[nH]1 ZINC001237607641 966676094 /nfs/dbraw/zinc/67/60/94/966676094.db2.gz COYNKXQPTPSFAD-WDEREUQCSA-N 1 2 220.320 1.959 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)[nH]1 ZINC001237607641 966676110 /nfs/dbraw/zinc/67/61/10/966676110.db2.gz COYNKXQPTPSFAD-WDEREUQCSA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n[nH]1 ZINC001237607641 966676123 /nfs/dbraw/zinc/67/61/23/966676123.db2.gz COYNKXQPTPSFAD-WDEREUQCSA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)n[nH]1 ZINC001237607641 966676134 /nfs/dbraw/zinc/67/61/34/966676134.db2.gz COYNKXQPTPSFAD-WDEREUQCSA-N 1 2 220.320 1.959 20 0 BDADLO Fc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001203787298 966779805 /nfs/dbraw/zinc/77/98/05/966779805.db2.gz XRVZGRMPLJIJIO-RYUDHWBXSA-N 1 2 207.248 1.799 20 0 BDADLO Fc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001203787298 966779795 /nfs/dbraw/zinc/77/97/95/966779795.db2.gz XRVZGRMPLJIJIO-RYUDHWBXSA-N 1 2 207.248 1.799 20 0 BDADLO CCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107602520 966807627 /nfs/dbraw/zinc/80/76/27/966807627.db2.gz KVKBOYSOERSINQ-MRVPVSSYSA-N 1 2 222.292 1.112 20 0 BDADLO CC(=O)Nc1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001203927591 966821289 /nfs/dbraw/zinc/82/12/89/966821289.db2.gz UJESTZMSTNVBCQ-UHFFFAOYSA-N 1 2 246.310 1.620 20 0 BDADLO CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001203963154 966832344 /nfs/dbraw/zinc/83/23/44/966832344.db2.gz MDKVQKIOEGMXPR-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001203963154 966832347 /nfs/dbraw/zinc/83/23/47/966832347.db2.gz MDKVQKIOEGMXPR-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(O)cc1 ZINC001204094025 966889989 /nfs/dbraw/zinc/88/99/89/966889989.db2.gz VCVTZSLTRUVGCZ-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(O)cc1 ZINC001204094025 966889996 /nfs/dbraw/zinc/88/99/96/966889996.db2.gz VCVTZSLTRUVGCZ-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO C(=Cc1ccccc1)C[NH2+]Cc1nnc[nH]1 ZINC001204137216 966898350 /nfs/dbraw/zinc/89/83/50/966898350.db2.gz SJZBGCAJUKFZEN-DAXSKMNVSA-N 1 2 214.272 1.608 20 0 BDADLO CSc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001204139940 966901862 /nfs/dbraw/zinc/90/18/62/966901862.db2.gz WKHJLPYPPUFZJC-NWDGAFQWSA-N 1 2 241.331 1.923 20 0 BDADLO CSc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001204139940 966901875 /nfs/dbraw/zinc/90/18/75/966901875.db2.gz WKHJLPYPPUFZJC-NWDGAFQWSA-N 1 2 241.331 1.923 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cccc(F)c1F)C2 ZINC001204195372 966922170 /nfs/dbraw/zinc/92/21/70/966922170.db2.gz CEHKXMNGHHRVFQ-UHFFFAOYSA-N 1 2 239.265 1.922 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1ccc(F)cc1F)C2 ZINC001204207733 966926141 /nfs/dbraw/zinc/92/61/41/966926141.db2.gz ISGMRNLNEOJMDQ-UHFFFAOYSA-N 1 2 239.265 1.922 20 0 BDADLO CCn1ccc(C[N@H+](C)CCn2cccn2)n1 ZINC001204229094 966933706 /nfs/dbraw/zinc/93/37/06/966933706.db2.gz HVPIWGJXEAXZPN-UHFFFAOYSA-N 1 2 233.319 1.232 20 0 BDADLO CCn1ccc(C[N@@H+](C)CCn2cccn2)n1 ZINC001204229094 966933711 /nfs/dbraw/zinc/93/37/11/966933711.db2.gz HVPIWGJXEAXZPN-UHFFFAOYSA-N 1 2 233.319 1.232 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccoc3)[C@H]2C1 ZINC001204241914 966934597 /nfs/dbraw/zinc/93/45/97/966934597.db2.gz LSGQSVVIRJPVBI-AVGNSLFASA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccoc3)[C@H]2C1 ZINC001204241914 966934591 /nfs/dbraw/zinc/93/45/91/966934591.db2.gz LSGQSVVIRJPVBI-AVGNSLFASA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccoc2)C1 ZINC001204241007 966935834 /nfs/dbraw/zinc/93/58/34/966935834.db2.gz QQKGWWHHVHCWAI-QWRGUYRKSA-N 1 2 213.252 1.432 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccoc2)C1 ZINC001204241007 966935838 /nfs/dbraw/zinc/93/58/38/966935838.db2.gz QQKGWWHHVHCWAI-QWRGUYRKSA-N 1 2 213.252 1.432 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC001204450710 967000532 /nfs/dbraw/zinc/00/05/32/967000532.db2.gz YJDYRUHAPPFSQQ-UHFFFAOYSA-N 1 2 247.342 1.439 20 0 BDADLO CNc1ccccc1C[N@H+]1CCNC(=O)C1(C)C ZINC001204450710 967000540 /nfs/dbraw/zinc/00/05/40/967000540.db2.gz YJDYRUHAPPFSQQ-UHFFFAOYSA-N 1 2 247.342 1.439 20 0 BDADLO Cc1c(F)cccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC001204508619 967011885 /nfs/dbraw/zinc/01/18/85/967011885.db2.gz QKIGVLPNZAJUQB-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1c(F)cccc1C[N@H+]1CCO[C@H](CO)C1 ZINC001204508619 967011894 /nfs/dbraw/zinc/01/18/94/967011894.db2.gz QKIGVLPNZAJUQB-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1c(F)cccc1C[NH+]1CC2(CN(C)C2)C1 ZINC001204514523 967020339 /nfs/dbraw/zinc/02/03/39/967020339.db2.gz XWGPXBXEXAHJGA-UHFFFAOYSA-N 1 2 234.318 1.882 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1C ZINC001204577578 967063222 /nfs/dbraw/zinc/06/32/22/967063222.db2.gz APBWXYJYTUEBAR-ZDUSSCGKSA-N 1 2 235.331 1.672 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1C ZINC001204577578 967063233 /nfs/dbraw/zinc/06/32/33/967063233.db2.gz APBWXYJYTUEBAR-ZDUSSCGKSA-N 1 2 235.331 1.672 20 0 BDADLO Cc1nc[nH]c1C[N@@H+](C)Cc1ccncc1 ZINC001204587576 967070484 /nfs/dbraw/zinc/07/04/84/967070484.db2.gz FZYRIWKXLNOURD-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1nc[nH]c1C[N@H+](C)Cc1ccncc1 ZINC001204587576 967070502 /nfs/dbraw/zinc/07/05/02/967070502.db2.gz FZYRIWKXLNOURD-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1[nH+]c[nH]c1CN1C[C@@H](CO)CC(F)(F)C1 ZINC001204587551 967073843 /nfs/dbraw/zinc/07/38/43/967073843.db2.gz FKKJUNGDDMIPRI-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO Cc1nc(CN(C)Cc2[nH]c[nH+]c2C)no1 ZINC001204587555 967077708 /nfs/dbraw/zinc/07/77/08/967077708.db2.gz FOBVGPOSAAGSAI-UHFFFAOYSA-N 1 2 221.264 1.042 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cnc(C)nc1 ZINC001204582774 967077811 /nfs/dbraw/zinc/07/78/11/967077811.db2.gz HQXHJYBDADMZAD-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cnc(C)nc1 ZINC001204582774 967077819 /nfs/dbraw/zinc/07/78/19/967077819.db2.gz HQXHJYBDADMZAD-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1[nH+]c[nH]c1CN(C)CC(=O)OC(C)(C)C ZINC001204588257 967079842 /nfs/dbraw/zinc/07/98/42/967079842.db2.gz WYYOSXQAJFCSAY-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1[nH]cnc1C)C2 ZINC001204591764 967093482 /nfs/dbraw/zinc/09/34/82/967093482.db2.gz HUGOPTYXPAGIHS-JQWIXIFHSA-N 1 2 221.304 1.471 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1[nH]cnc1C)C2 ZINC001204591764 967093494 /nfs/dbraw/zinc/09/34/94/967093494.db2.gz HUGOPTYXPAGIHS-JQWIXIFHSA-N 1 2 221.304 1.471 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)nc1C ZINC001249891404 967131694 /nfs/dbraw/zinc/13/16/94/967131694.db2.gz FYGCBYWBYVTQDX-SNVBAGLBSA-N 1 2 224.279 1.942 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)nc1C ZINC001249891404 967131698 /nfs/dbraw/zinc/13/16/98/967131698.db2.gz FYGCBYWBYVTQDX-SNVBAGLBSA-N 1 2 224.279 1.942 20 0 BDADLO COc1ccc(C[NH+]2CC3(COC3)C2)nc1C ZINC001249891813 967134431 /nfs/dbraw/zinc/13/44/31/967134431.db2.gz ISJYWYQBZFJGFE-UHFFFAOYSA-N 1 2 234.299 1.231 20 0 BDADLO COc1ccc(C[N@H+](C)C2(C)COC2)nc1C ZINC001249907082 967141411 /nfs/dbraw/zinc/14/14/11/967141411.db2.gz LWLMLWQQQCBRRU-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO COc1ccc(C[N@@H+](C)C2(C)COC2)nc1C ZINC001249907082 967141426 /nfs/dbraw/zinc/14/14/26/967141426.db2.gz LWLMLWQQQCBRRU-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO COc1nccc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204950633 967248962 /nfs/dbraw/zinc/24/89/62/967248962.db2.gz BXRSZJAUDJFZKU-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO Nc1cc[nH]c(=O)c1Nc1ccn2cc[nH+]c2c1 ZINC001204965820 967265013 /nfs/dbraw/zinc/26/50/13/967265013.db2.gz HCSJGEUAXPVYTK-UHFFFAOYSA-N 1 2 241.254 1.761 20 0 BDADLO CNc1ccc(Nc2cncnc2)c[nH+]1 ZINC001203447144 967265533 /nfs/dbraw/zinc/26/55/33/967265533.db2.gz JRTYMCPZGNTXOY-UHFFFAOYSA-N 1 2 201.233 1.657 20 0 BDADLO CC(=O)NCCc1ccn2cc[nH+]c2c1 ZINC001250015844 967272591 /nfs/dbraw/zinc/27/25/91/967272591.db2.gz XFTGSKOXEDAYOZ-UHFFFAOYSA-N 1 2 203.245 1.013 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001205112194 967358123 /nfs/dbraw/zinc/35/81/23/967358123.db2.gz ZBOHEWPGFYTPPE-NEPJUHHUSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001205112194 967358131 /nfs/dbraw/zinc/35/81/31/967358131.db2.gz ZBOHEWPGFYTPPE-NEPJUHHUSA-N 1 2 235.331 1.421 20 0 BDADLO CNC(=O)c1ccc(OC)c(/C(C)=C/C=C/[NH3+])c1 ZINC001205156639 967401439 /nfs/dbraw/zinc/40/14/39/967401439.db2.gz PUAWMCVFACSKSD-DXNUHORPSA-N 1 2 246.310 1.931 20 0 BDADLO O=S(=O)(CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001250122550 967409121 /nfs/dbraw/zinc/40/91/21/967409121.db2.gz CBSMWKHGAUGASW-UHFFFAOYSA-N 1 2 236.296 1.426 20 0 BDADLO c1cn2cc(-c3cncc4nncn43)ccc2[nH+]1 ZINC001240220801 967431486 /nfs/dbraw/zinc/43/14/86/967431486.db2.gz BKTGIFYFZZKCPZ-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO CNc1cc(CC(=O)N2CCCC2)cc[nH+]1 ZINC001250291683 967625583 /nfs/dbraw/zinc/62/55/83/967625583.db2.gz BMVLYBTZFIDRNV-UHFFFAOYSA-N 1 2 219.288 1.288 20 0 BDADLO CC(=O)NCC1([NH2+]Cc2ncc(C)o2)CCC1 ZINC001273032140 967675141 /nfs/dbraw/zinc/67/51/41/967675141.db2.gz LTVLDJCECAYWHJ-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)ccc1O ZINC001250315282 967679455 /nfs/dbraw/zinc/67/94/55/967679455.db2.gz HXQZPDZMIAPTTF-UHFFFAOYSA-N 1 2 218.256 1.840 20 0 BDADLO Cc1nc2c(ccn2C)c(NC2CCOCC2)[nH+]1 ZINC001161861418 967679909 /nfs/dbraw/zinc/67/99/09/967679909.db2.gz AAUPVLLYAVKARV-UHFFFAOYSA-N 1 2 246.314 1.868 20 0 BDADLO Oc1cccc(CCn2cc[nH+]c2)c1F ZINC001250318336 967685735 /nfs/dbraw/zinc/68/57/35/967685735.db2.gz CQFMPZOVWMODFJ-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO c1cn(CCc2ccc3c(c2)OCCN3)c[nH+]1 ZINC001250318375 967690275 /nfs/dbraw/zinc/69/02/75/967690275.db2.gz FKKDFPUQHGEZFP-UHFFFAOYSA-N 1 2 229.283 1.930 20 0 BDADLO O=C(C1CC1)N1CC=C(CCn2cc[nH+]c2)CC1 ZINC001250318673 967693073 /nfs/dbraw/zinc/69/30/73/967693073.db2.gz KBUJEVYMSCBGIF-UHFFFAOYSA-N 1 2 245.326 1.842 20 0 BDADLO CC(=O)Nc1ccc(CCn2cc[nH+]c2)cn1 ZINC001250320554 967695995 /nfs/dbraw/zinc/69/59/95/967695995.db2.gz OUXCMIYNNINHGA-UHFFFAOYSA-N 1 2 230.271 1.479 20 0 BDADLO OCc1c(F)ccc(CCn2cc[nH+]c2)c1F ZINC001250319919 967696882 /nfs/dbraw/zinc/69/68/82/967696882.db2.gz GPFVFWSYFLNBCY-UHFFFAOYSA-N 1 2 238.237 1.896 20 0 BDADLO N#CN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205612344 967724029 /nfs/dbraw/zinc/72/40/29/967724029.db2.gz ZKIKITKZVBFHRD-UHFFFAOYSA-N 1 2 240.310 1.767 20 0 BDADLO FC1(F)CC[NH+](Cc2cnoc2)CC1 ZINC001205669872 967755628 /nfs/dbraw/zinc/75/56/28/967755628.db2.gz CMGRZXYRWFLERF-UHFFFAOYSA-N 1 2 202.204 1.906 20 0 BDADLO COCc1nc(Cc2c[nH+]c(C)c(N)c2)no1 ZINC001250370396 967780758 /nfs/dbraw/zinc/78/07/58/967780758.db2.gz KRCVECXWNZACAU-UHFFFAOYSA-N 1 2 234.259 1.092 20 0 BDADLO Cc1[nH+]cc(Cc2cnccn2)cc1N ZINC001250373269 967788229 /nfs/dbraw/zinc/78/82/29/967788229.db2.gz LWPKSBYIHWGRLH-UHFFFAOYSA-N 1 2 200.245 1.353 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cnoc1 ZINC001205703758 967790959 /nfs/dbraw/zinc/79/09/59/967790959.db2.gz JXIDLVFKTBZBQJ-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cnoc1 ZINC001205703758 967790965 /nfs/dbraw/zinc/79/09/65/967790965.db2.gz JXIDLVFKTBZBQJ-NSHDSACASA-N 1 2 210.277 1.531 20 0 BDADLO O=C(Cc1ccc2[nH+]ccn2c1)NC1CC1 ZINC001250379316 967793248 /nfs/dbraw/zinc/79/32/48/967793248.db2.gz OJDPWAYLFNNDQH-UHFFFAOYSA-N 1 2 215.256 1.155 20 0 BDADLO Cc1cc(C)c(CC(=O)NC2CC2)c[nH+]1 ZINC001250381400 967802378 /nfs/dbraw/zinc/80/23/78/967802378.db2.gz HUULNHJDLXODEP-UHFFFAOYSA-N 1 2 204.273 1.520 20 0 BDADLO FC(F)Cc1cnn(CC[NH+]2CCOCC2)c1 ZINC001250390889 967808274 /nfs/dbraw/zinc/80/82/74/967808274.db2.gz KUHKFAVTYALPMU-UHFFFAOYSA-N 1 2 245.273 1.023 20 0 BDADLO COC1(C)C[NH+](Cc2ncccc2C)C1 ZINC001205769648 967817115 /nfs/dbraw/zinc/81/71/15/967817115.db2.gz FQYVISNUMFBYDU-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cnccc1C[N@@H+](C)[C@@H]1CCN(C)C1 ZINC001205857664 967858130 /nfs/dbraw/zinc/85/81/30/967858130.db2.gz LPUZEYUBUREEPB-CYBMUJFWSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cnccc1C[N@H+](C)[C@@H]1CCN(C)C1 ZINC001205857664 967858131 /nfs/dbraw/zinc/85/81/31/967858131.db2.gz LPUZEYUBUREEPB-CYBMUJFWSA-N 1 2 219.332 1.526 20 0 BDADLO CC[N@H+](Cc1ccncc1C)[C@@H](C)C(=O)OC ZINC001205872829 967867926 /nfs/dbraw/zinc/86/79/26/967867926.db2.gz KCYGCKLDPWEVCP-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CC[N@@H+](Cc1ccncc1C)[C@@H](C)C(=O)OC ZINC001205872829 967867927 /nfs/dbraw/zinc/86/79/27/967867927.db2.gz KCYGCKLDPWEVCP-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)n(C)n1 ZINC001205881785 967871903 /nfs/dbraw/zinc/87/19/03/967871903.db2.gz NJZIVPACBFNFOK-KCJUWKMLSA-N 1 2 211.284 1.518 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)n(C)n1 ZINC001205881785 967871904 /nfs/dbraw/zinc/87/19/04/967871904.db2.gz NJZIVPACBFNFOK-KCJUWKMLSA-N 1 2 211.284 1.518 20 0 BDADLO O=C1NC[C@@H](CNc2[nH+]ccc3ccccc32)O1 ZINC001163016616 967975554 /nfs/dbraw/zinc/97/55/54/967975554.db2.gz SFQWHJBTJRVUNZ-SNVBAGLBSA-N 1 2 243.266 1.755 20 0 BDADLO COC(=O)c1ccc(COC2C[NH+](C)C2)cc1 ZINC001206082534 968053225 /nfs/dbraw/zinc/05/32/25/968053225.db2.gz KVERLRUSAIGLIX-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO COc1[nH+]ccc(N)c1Nc1ccn(C)c(=O)c1 ZINC001206085304 968053626 /nfs/dbraw/zinc/05/36/26/968053626.db2.gz NXAUADNNMVFXTQ-UHFFFAOYSA-N 1 2 246.270 1.115 20 0 BDADLO CCCn1c[nH+]cc1CN1CC(OC)C1 ZINC001206174026 968111487 /nfs/dbraw/zinc/11/14/87/968111487.db2.gz GGXFRBRZRRNUDI-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001206190867 968120633 /nfs/dbraw/zinc/12/06/33/968120633.db2.gz CCTROMJAQHUULC-KXUCPTDWSA-N 1 2 248.367 1.144 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001206190867 968120649 /nfs/dbraw/zinc/12/06/49/968120649.db2.gz CCTROMJAQHUULC-KXUCPTDWSA-N 1 2 248.367 1.144 20 0 BDADLO Cc1nc(N2CCC[C@@H](O)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001164231089 968198160 /nfs/dbraw/zinc/19/81/60/968198160.db2.gz SGSORIYMFOQFEF-NOZJJQNGSA-N 1 2 249.358 1.999 20 0 BDADLO OCc1csc(C[NH2+]Cc2cccnc2)n1 ZINC000723187346 968212608 /nfs/dbraw/zinc/21/26/08/968212608.db2.gz AEZDZWALZWTYIE-UHFFFAOYSA-N 1 2 235.312 1.320 20 0 BDADLO O[C@@H](CNc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC001250963433 968227942 /nfs/dbraw/zinc/22/79/42/968227942.db2.gz XQPURBPELGYJTE-QMMMGPOBSA-N 1 2 245.204 1.669 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)n1cccc1 ZINC001118793521 968230062 /nfs/dbraw/zinc/23/00/62/968230062.db2.gz NJZRJPPLVMQINA-QWRGUYRKSA-N 1 2 244.298 1.507 20 0 BDADLO CSc1cccnc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001164569809 968253309 /nfs/dbraw/zinc/25/33/09/968253309.db2.gz XPNNCZOPJIADJT-UHFFFAOYSA-N 1 2 248.311 1.708 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccnn1C ZINC001206355288 968253851 /nfs/dbraw/zinc/25/38/51/968253851.db2.gz OLBNHYOUKLHWGS-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccnn1C ZINC001206355288 968253861 /nfs/dbraw/zinc/25/38/61/968253861.db2.gz OLBNHYOUKLHWGS-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO COc1cnccc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001206438031 968303839 /nfs/dbraw/zinc/30/38/39/968303839.db2.gz KGHQDMATMGEZTB-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1cnccc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001206438031 968303844 /nfs/dbraw/zinc/30/38/44/968303844.db2.gz KGHQDMATMGEZTB-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO CC[NH+]1CC(OCc2csc(C)n2)C1 ZINC001206441247 968306134 /nfs/dbraw/zinc/30/61/34/968306134.db2.gz BRKLSGVHUWQCPU-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CCOc1cc[nH+]cc1NC[C@H](O)CC ZINC001251759845 968314527 /nfs/dbraw/zinc/31/45/27/968314527.db2.gz XGXRHJYJVITJJY-SECBINFHSA-N 1 2 210.277 1.663 20 0 BDADLO CC[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001251780684 968326060 /nfs/dbraw/zinc/32/60/60/968326060.db2.gz VIRTVVTVLASOLC-GFCCVEGCSA-N 1 2 221.300 1.572 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001251780684 968326069 /nfs/dbraw/zinc/32/60/69/968326069.db2.gz VIRTVVTVLASOLC-GFCCVEGCSA-N 1 2 221.300 1.572 20 0 BDADLO COc1cnccc1CN1CCn2c[nH+]cc2C1 ZINC001206480040 968335237 /nfs/dbraw/zinc/33/52/37/968335237.db2.gz GZKUBRMQRUCUHQ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CCN(c1ccc(Cl)c(N)[nH+]1)C1COC1 ZINC001166944142 968400888 /nfs/dbraw/zinc/40/08/88/968400888.db2.gz KWCZOOSXZLEBKX-UHFFFAOYSA-N 1 2 227.695 1.542 20 0 BDADLO N[C@@H]1C[N@H+](CC2OC=CC2=S)CCC1(F)F ZINC001206683420 968434617 /nfs/dbraw/zinc/43/46/17/968434617.db2.gz KZFIOGWOAUQXCI-SECBINFHSA-N 1 2 248.298 1.737 20 0 BDADLO N[C@@H]1C[N@@H+](CC2OC=CC2=S)CCC1(F)F ZINC001206683420 968434622 /nfs/dbraw/zinc/43/46/22/968434622.db2.gz KZFIOGWOAUQXCI-SECBINFHSA-N 1 2 248.298 1.737 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccncc2F)CC[C@H]1F ZINC001206783986 968469055 /nfs/dbraw/zinc/46/90/55/968469055.db2.gz VSMXQWQYEFEFOK-KOLCDFICSA-N 1 2 228.242 1.125 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cs1 ZINC001206800188 968480755 /nfs/dbraw/zinc/48/07/55/968480755.db2.gz YFISMKUKRISBIL-NXEZZACHSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)cs1 ZINC001206800188 968480760 /nfs/dbraw/zinc/48/07/60/968480760.db2.gz YFISMKUKRISBIL-NXEZZACHSA-N 1 2 230.308 1.356 20 0 BDADLO Fc1cncc(F)c1C[NH+]1CC(C2COC2)C1 ZINC001206854970 968504279 /nfs/dbraw/zinc/50/42/79/968504279.db2.gz JMYCNRMBTADWFQ-UHFFFAOYSA-N 1 2 240.253 1.438 20 0 BDADLO C[C@@H](O)[C@H]1C[N@H+](CCCC(F)(F)F)CCO1 ZINC001120043574 968513336 /nfs/dbraw/zinc/51/33/36/968513336.db2.gz MGYBCAGYLPOFHM-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)[C@H]1C[N@@H+](CCCC(F)(F)F)CCO1 ZINC001120043574 968513344 /nfs/dbraw/zinc/51/33/44/968513344.db2.gz MGYBCAGYLPOFHM-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO COc1cncc(C[N@@H+]2CCCC23COC3)c1 ZINC001206994655 968532564 /nfs/dbraw/zinc/53/25/64/968532564.db2.gz CVXDSRAGMDMROQ-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cncc(C[N@H+]2CCCC23COC3)c1 ZINC001206994655 968532571 /nfs/dbraw/zinc/53/25/71/968532571.db2.gz CVXDSRAGMDMROQ-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1ncccn1 ZINC001207015706 968553959 /nfs/dbraw/zinc/55/39/59/968553959.db2.gz GYKXNCZVTKFXIW-UHFFFAOYSA-N 1 2 231.303 1.195 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1ncccn1 ZINC001207015706 968553969 /nfs/dbraw/zinc/55/39/69/968553969.db2.gz GYKXNCZVTKFXIW-UHFFFAOYSA-N 1 2 231.303 1.195 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1F ZINC001207017025 968555187 /nfs/dbraw/zinc/55/51/87/968555187.db2.gz NBRFXIWOMBJKDT-GHMZBOCLSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1F ZINC001207017025 968555192 /nfs/dbraw/zinc/55/51/92/968555192.db2.gz NBRFXIWOMBJKDT-GHMZBOCLSA-N 1 2 228.242 1.125 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ncccc2F)C[C@@H]1OC ZINC001207027102 968561099 /nfs/dbraw/zinc/56/10/99/968561099.db2.gz VAHGZIBKULXTIX-TXEJJXNPSA-N 1 2 240.278 1.066 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ncccc2F)C[C@@H]1OC ZINC001207027102 968561105 /nfs/dbraw/zinc/56/11/05/968561105.db2.gz VAHGZIBKULXTIX-TXEJJXNPSA-N 1 2 240.278 1.066 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccc1F ZINC001207029815 968563113 /nfs/dbraw/zinc/56/31/13/968563113.db2.gz TVNGFNDSQJLRFI-AOOOYVTPSA-N 1 2 234.274 1.917 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccc1F ZINC001207029815 968563122 /nfs/dbraw/zinc/56/31/22/968563122.db2.gz TVNGFNDSQJLRFI-AOOOYVTPSA-N 1 2 234.274 1.917 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207054007 968583901 /nfs/dbraw/zinc/58/39/01/968583901.db2.gz CSJQVHQEJHEVAY-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207054007 968583909 /nfs/dbraw/zinc/58/39/09/968583909.db2.gz CSJQVHQEJHEVAY-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CN(Cc1[nH+]cc2ccccn21)CC1COC1 ZINC001207053272 968587405 /nfs/dbraw/zinc/58/74/05/968587405.db2.gz NHHQXYBKLKYVPW-UHFFFAOYSA-N 1 2 231.299 1.413 20 0 BDADLO CCc1nccc(C[N@@H+]2CCC[C@@H]2CF)n1 ZINC001207091309 968626504 /nfs/dbraw/zinc/62/65/04/968626504.db2.gz RWZUHKDSXSVMRM-LLVKDONJSA-N 1 2 223.295 1.973 20 0 BDADLO CCc1nccc(C[N@H+]2CCC[C@@H]2CF)n1 ZINC001207091309 968626508 /nfs/dbraw/zinc/62/65/08/968626508.db2.gz RWZUHKDSXSVMRM-LLVKDONJSA-N 1 2 223.295 1.973 20 0 BDADLO COC1CC[NH+](Cc2ncc(F)cc2F)CC1 ZINC001207091512 968626962 /nfs/dbraw/zinc/62/69/62/968626962.db2.gz WSZMXJDBANIHIQ-UHFFFAOYSA-N 1 2 242.269 1.971 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(F)cc2F)CC[C@H]1O ZINC001207094283 968627249 /nfs/dbraw/zinc/62/72/49/968627249.db2.gz UBXRAKQRZHXXCI-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(F)cc2F)CC[C@H]1O ZINC001207094283 968627259 /nfs/dbraw/zinc/62/72/59/968627259.db2.gz UBXRAKQRZHXXCI-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(C(F)F)CC2)[nH+]c1C ZINC000825106559 968635866 /nfs/dbraw/zinc/63/58/66/968635866.db2.gz OYCDDDRBDNBZQZ-UHFFFAOYSA-N 1 2 243.257 1.688 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2ccncc2)c[nH+]1 ZINC000825286653 968639308 /nfs/dbraw/zinc/63/93/08/968639308.db2.gz OKKQVIRQBSHQOG-UHFFFAOYSA-N 1 2 244.298 1.382 20 0 BDADLO Cc1cncc(C[NH2+][C@H](C)c2cnn(C)n2)c1 ZINC000825249756 968640034 /nfs/dbraw/zinc/64/00/34/968640034.db2.gz AEPBRIGPPVIQSL-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001207140885 968651144 /nfs/dbraw/zinc/65/11/44/968651144.db2.gz BQAQGQCNORTAPK-QWHCGFSZSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001207140885 968651152 /nfs/dbraw/zinc/65/11/52/968651152.db2.gz BQAQGQCNORTAPK-QWHCGFSZSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2ccncc2C1 ZINC001207145925 968655309 /nfs/dbraw/zinc/65/53/09/968655309.db2.gz WBDQSYXTHSSNOA-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2ccncc2C1 ZINC001207145925 968655312 /nfs/dbraw/zinc/65/53/12/968655312.db2.gz WBDQSYXTHSSNOA-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCOC(=O)C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001207417468 968759499 /nfs/dbraw/zinc/75/94/99/968759499.db2.gz QMFHUCVMAYJREE-JTQLQIEISA-N 1 2 245.294 1.143 20 0 BDADLO COc1cccc(CC[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC001207429997 968766587 /nfs/dbraw/zinc/76/65/87/968766587.db2.gz XDKNVNUNYBIPBB-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(CC[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC001207429997 968766594 /nfs/dbraw/zinc/76/65/94/968766594.db2.gz XDKNVNUNYBIPBB-NSHDSACASA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(CC[N@@H+]2CC(=O)NC[C@H]2C)c1 ZINC001207432392 968769199 /nfs/dbraw/zinc/76/91/99/968769199.db2.gz AVIFNZCNDYRMLP-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1cccc(CC[N@H+]2CC(=O)NC[C@H]2C)c1 ZINC001207432392 968769208 /nfs/dbraw/zinc/76/92/08/968769208.db2.gz AVIFNZCNDYRMLP-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C1CC=CC1 ZINC001085527181 968782778 /nfs/dbraw/zinc/78/27/78/968782778.db2.gz TZBPFJHZJSAVFP-LBPRGKRZSA-N 1 2 240.322 1.455 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C1CC=CC1 ZINC001085527181 968782783 /nfs/dbraw/zinc/78/27/83/968782783.db2.gz TZBPFJHZJSAVFP-LBPRGKRZSA-N 1 2 240.322 1.455 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](CCc2cccc(C)c2)CCO1 ZINC001207554606 968819983 /nfs/dbraw/zinc/81/99/83/968819983.db2.gz AVGFVLZHXQIWJY-HNNXBMFYSA-N 1 2 247.338 1.827 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](CCc2cccc(C)c2)CCO1 ZINC001207554606 968819987 /nfs/dbraw/zinc/81/99/87/968819987.db2.gz AVGFVLZHXQIWJY-HNNXBMFYSA-N 1 2 247.338 1.827 20 0 BDADLO c1nc(C2([NH2+]CC[C@@H]3CCOC3)CC2)no1 ZINC001207665260 968859110 /nfs/dbraw/zinc/85/91/10/968859110.db2.gz JMPZZXDZPPWKOA-SECBINFHSA-N 1 2 223.276 1.075 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccn(C)n1 ZINC001207774392 968880842 /nfs/dbraw/zinc/88/08/42/968880842.db2.gz LXCJXLGHEQSUPY-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CC(C)OC[C@@H](O)CNc1cccc2[nH+]ccn21 ZINC001252665058 968898479 /nfs/dbraw/zinc/89/84/79/968898479.db2.gz OCSAEWAOERLXNN-NSHDSACASA-N 1 2 249.314 1.532 20 0 BDADLO Cc1c(F)ccnc1NC[C@H]1C[N@H+](C)CCO1 ZINC001155196510 968923424 /nfs/dbraw/zinc/92/34/24/968923424.db2.gz NITBDEKBWTZNEO-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1c(F)ccnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001155196510 968923431 /nfs/dbraw/zinc/92/34/31/968923431.db2.gz NITBDEKBWTZNEO-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccc(CCC[N@H+]2CCN(C)C(=O)C2)o1 ZINC001207937877 968937946 /nfs/dbraw/zinc/93/79/46/968937946.db2.gz POCUEUDNINVWHR-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CCN(C)C(=O)C2)o1 ZINC001207937877 968937950 /nfs/dbraw/zinc/93/79/50/968937950.db2.gz POCUEUDNINVWHR-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO COC[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252810657 968999123 /nfs/dbraw/zinc/99/91/23/968999123.db2.gz AQEIFOCFGCDROC-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO COC[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252810657 968999131 /nfs/dbraw/zinc/99/91/31/968999131.db2.gz AQEIFOCFGCDROC-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CC(=O)C[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC001252839494 969034130 /nfs/dbraw/zinc/03/41/30/969034130.db2.gz KCBKUBDLYJWDAQ-LBPRGKRZSA-N 1 2 225.263 1.380 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC001252839494 969034141 /nfs/dbraw/zinc/03/41/41/969034141.db2.gz KCBKUBDLYJWDAQ-LBPRGKRZSA-N 1 2 225.263 1.380 20 0 BDADLO CCOc1ccc[nH+]c1NC[C@@H]1CC(=O)N(C)C1 ZINC000723382744 969098923 /nfs/dbraw/zinc/09/89/23/969098923.db2.gz DCKGTFWCHPGLSL-JTQLQIEISA-N 1 2 249.314 1.371 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@@H]1C=CS(=O)(=O)C1 ZINC001156063580 969176015 /nfs/dbraw/zinc/17/60/15/969176015.db2.gz YTUNYFHYVVLIFZ-MRVPVSSYSA-N 1 2 242.275 1.252 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1Cc2cccnc2C1 ZINC001208713241 969201023 /nfs/dbraw/zinc/20/10/23/969201023.db2.gz YALGSWJATPVZHE-SECBINFHSA-N 1 2 220.272 1.206 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001208710346 969201176 /nfs/dbraw/zinc/20/11/76/969201176.db2.gz DPXXFDKZEKIDBT-CIUDSAMLSA-N 1 2 221.247 1.177 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001208710346 969201179 /nfs/dbraw/zinc/20/11/79/969201179.db2.gz DPXXFDKZEKIDBT-CIUDSAMLSA-N 1 2 221.247 1.177 20 0 BDADLO CC/C=C\CC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001208728465 969213481 /nfs/dbraw/zinc/21/34/81/969213481.db2.gz AWCZLFVHVJUANA-CMIOBCHKSA-N 1 2 214.284 1.240 20 0 BDADLO CC/C=C\CC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001208728465 969213488 /nfs/dbraw/zinc/21/34/88/969213488.db2.gz AWCZLFVHVJUANA-CMIOBCHKSA-N 1 2 214.284 1.240 20 0 BDADLO CCCCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC001253549168 969221708 /nfs/dbraw/zinc/22/17/08/969221708.db2.gz NVVVJTRBAPOJFF-RYUDHWBXSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@@H](C[N@@H+]1C[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208895832 969264093 /nfs/dbraw/zinc/26/40/93/969264093.db2.gz MVTHNQZSRXYENZ-LYFYHCNISA-N 1 2 215.190 1.199 20 0 BDADLO C[C@@H](C[N@H+]1C[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208895832 969264100 /nfs/dbraw/zinc/26/41/00/969264100.db2.gz MVTHNQZSRXYENZ-LYFYHCNISA-N 1 2 215.190 1.199 20 0 BDADLO c1cc2n(n1)CC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC001208884090 969278867 /nfs/dbraw/zinc/27/88/67/969278867.db2.gz CQDOGWVPVOZYDP-GFCCVEGCSA-N 1 2 219.288 1.391 20 0 BDADLO c1cc2n(n1)CC[N@H+](C[C@H]1CCC=CO1)C2 ZINC001208884090 969278871 /nfs/dbraw/zinc/27/88/71/969278871.db2.gz CQDOGWVPVOZYDP-GFCCVEGCSA-N 1 2 219.288 1.391 20 0 BDADLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCC[C@H](F)C1 ZINC001253682805 969331212 /nfs/dbraw/zinc/33/12/12/969331212.db2.gz VITJUAOBOGBLGP-VHSXEESVSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCC[C@H](F)C1 ZINC001253682805 969331213 /nfs/dbraw/zinc/33/12/13/969331213.db2.gz VITJUAOBOGBLGP-VHSXEESVSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)c1nc(C[NH2+]C[C@H](O)C(C)(C)C)no1 ZINC001253739548 969360345 /nfs/dbraw/zinc/36/03/45/969360345.db2.gz FVELBFXXBROVGQ-VIFPVBQESA-N 1 2 241.335 1.690 20 0 BDADLO CCN(C)c1ccc(NC[C@H](O)C(C)C)c[nH+]1 ZINC001253757057 969375299 /nfs/dbraw/zinc/37/52/99/969375299.db2.gz HPHRZBLNZUNDFA-LBPRGKRZSA-N 1 2 237.347 1.967 20 0 BDADLO CCc1ccc(N[C@H]2COC(=O)C2)[nH+]c1 ZINC001169122031 969416599 /nfs/dbraw/zinc/41/65/99/969416599.db2.gz XBQSHEYUYHHARO-SECBINFHSA-N 1 2 206.245 1.371 20 0 BDADLO Cc1cc(N[C@H]2COC(=O)C2)ccc1[NH+](C)C ZINC001169124485 969429056 /nfs/dbraw/zinc/42/90/56/969429056.db2.gz UTVMAGIPIRSOCY-LLVKDONJSA-N 1 2 234.299 1.788 20 0 BDADLO N#CN1CC[NH+](CCOc2ccccc2)CC1 ZINC001209299851 969429171 /nfs/dbraw/zinc/42/91/71/969429171.db2.gz GZIKQDPKKPGDQD-UHFFFAOYSA-N 1 2 231.299 1.164 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2ccccc2)C[NH2+]1 ZINC001169130594 969441018 /nfs/dbraw/zinc/44/10/18/969441018.db2.gz ODGQRVVDFDTQPQ-MNOVXSKESA-N 1 2 220.272 1.002 20 0 BDADLO CC[C@H](C)[C@H](Nc1ccn2cc[nH+]c2c1)C(N)=O ZINC001169158913 969471016 /nfs/dbraw/zinc/47/10/16/969471016.db2.gz KEZBGMYTRQYIQI-CABZTGNLSA-N 1 2 246.314 1.646 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)[nH]1 ZINC001209566838 969550847 /nfs/dbraw/zinc/55/08/47/969550847.db2.gz VKGHEBZKWDXUIQ-LLVKDONJSA-N 1 2 222.288 1.461 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3nccc3C2)[nH]1 ZINC001209576500 969563173 /nfs/dbraw/zinc/56/31/73/969563173.db2.gz WJLJFQNNEOXNHG-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3nccc3C2)[nH]1 ZINC001209576500 969563178 /nfs/dbraw/zinc/56/31/78/969563178.db2.gz WJLJFQNNEOXNHG-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCCOC2)CCCC1 ZINC001254360575 969573734 /nfs/dbraw/zinc/57/37/34/969573734.db2.gz FKDYJMRUAVORCO-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CC(C)(C)N1CC[N@@H+]([C@H]2CCCOC2)CC1=O ZINC001254381995 969595793 /nfs/dbraw/zinc/59/57/93/969595793.db2.gz BDECAHLHTYZJMH-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)(C)N1CC[N@H+]([C@H]2CCCOC2)CC1=O ZINC001254381995 969595798 /nfs/dbraw/zinc/59/57/98/969595798.db2.gz BDECAHLHTYZJMH-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO OCC1(F)C[NH+](C2CCc3ccccc3CC2)C1 ZINC001254455426 969641563 /nfs/dbraw/zinc/64/15/63/969641563.db2.gz AHSWTFKTPZFSLZ-UHFFFAOYSA-N 1 2 249.329 1.950 20 0 BDADLO c1cn2cccc(Nc3ccnnc3)c2[nH+]1 ZINC001209956987 969715631 /nfs/dbraw/zinc/71/56/31/969715631.db2.gz DWRDFEWACWDMSU-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO CCCOC1C[NH+]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC001169618382 969797331 /nfs/dbraw/zinc/79/73/31/969797331.db2.gz VWRBIBQUIXPYFK-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCc1ccc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC001169656933 969803129 /nfs/dbraw/zinc/80/31/29/969803129.db2.gz PPLYYPKBKODZOO-LBPRGKRZSA-N 1 2 235.331 1.387 20 0 BDADLO CCc1ccc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC001169656933 969803130 /nfs/dbraw/zinc/80/31/30/969803130.db2.gz PPLYYPKBKODZOO-LBPRGKRZSA-N 1 2 235.331 1.387 20 0 BDADLO C[C@@H](COC(C)(C)C)OCC[NH+]1CCOCC1 ZINC001210192614 969825098 /nfs/dbraw/zinc/82/50/98/969825098.db2.gz TVERJHPMFDQUTR-LBPRGKRZSA-N 1 2 245.363 1.539 20 0 BDADLO Cc1[nH+]cc(Nc2ccn3cnnc3c2)cc1N ZINC001210286983 969854679 /nfs/dbraw/zinc/85/46/79/969854679.db2.gz HXECJBFSJUMWKT-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO COCCn1nccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288635 969856451 /nfs/dbraw/zinc/85/64/51/969856451.db2.gz MILDJBAJDTUAMM-UHFFFAOYSA-N 1 2 247.302 1.559 20 0 BDADLO Cc1[nH+]cc(Nc2cc3n(n2)CCCO3)cc1N ZINC001210288119 969857438 /nfs/dbraw/zinc/85/74/38/969857438.db2.gz AULDNVSBICNPCH-UHFFFAOYSA-N 1 2 245.286 1.695 20 0 BDADLO Cc1ccnnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210289063 969857622 /nfs/dbraw/zinc/85/76/22/969857622.db2.gz SJYGQODYDCLVIN-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO COc1cc[nH+]cc1NC[C@@H]1COC(C)(C)O1 ZINC001169907952 969881788 /nfs/dbraw/zinc/88/17/88/969881788.db2.gz OTOVDGPWLZRRID-SECBINFHSA-N 1 2 238.287 1.654 20 0 BDADLO O=C1CCC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169955823 969889750 /nfs/dbraw/zinc/88/97/50/969889750.db2.gz LDEAKTDWYSTLPM-NSHDSACASA-N 1 2 239.315 1.337 20 0 BDADLO O=C1CCC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169955823 969889753 /nfs/dbraw/zinc/88/97/53/969889753.db2.gz LDEAKTDWYSTLPM-NSHDSACASA-N 1 2 239.315 1.337 20 0 BDADLO Cc1nc(N[C@H](C)CCO)c2c([nH+]1)CCC2 ZINC001156452427 969897526 /nfs/dbraw/zinc/89/75/26/969897526.db2.gz TTXSMJHYLWHTSG-MRVPVSSYSA-N 1 2 221.304 1.457 20 0 BDADLO CCC(CC)([NH2+][C@@H]1CCSC1)C(=O)OC ZINC001255279264 970028897 /nfs/dbraw/zinc/02/88/97/970028897.db2.gz ITKOOAIPWIAZEK-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H](C)CCCC(C)C ZINC001170057838 970105849 /nfs/dbraw/zinc/10/58/49/970105849.db2.gz OIFRCYNONPCLRG-NEPJUHHUSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CCC=CO1)n1cc[nH+]c1 ZINC001255391024 970126717 /nfs/dbraw/zinc/12/67/17/970126717.db2.gz NVTOGXZLNKFFMX-MNOVXSKESA-N 1 2 235.287 1.253 20 0 BDADLO CN1CCC[C@H]([N@@H+]2CCc3occc3C2)C1 ZINC001255492621 970248478 /nfs/dbraw/zinc/24/84/78/970248478.db2.gz ITRHYUVDDSLESP-LBPRGKRZSA-N 1 2 220.316 1.732 20 0 BDADLO CN1CCC[C@H]([N@H+]2CCc3occc3C2)C1 ZINC001255492621 970248487 /nfs/dbraw/zinc/24/84/87/970248487.db2.gz ITRHYUVDDSLESP-LBPRGKRZSA-N 1 2 220.316 1.732 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+][C@@H](CO)C(=O)OC(C)(C)C)C1 ZINC001170109100 970312965 /nfs/dbraw/zinc/31/29/65/970312965.db2.gz JDVVTAOEXVZNGF-VWYCJHECSA-N 1 2 243.347 1.467 20 0 BDADLO CCN(c1ncccc1SC)C1C[NH+](C)C1 ZINC001157455857 970321961 /nfs/dbraw/zinc/32/19/61/970321961.db2.gz FXTHXWHUXWVOQB-UHFFFAOYSA-N 1 2 237.372 1.944 20 0 BDADLO Cc1cc(C)c(N(C)c2nccnc2N)c[nH+]1 ZINC001213508590 970331170 /nfs/dbraw/zinc/33/11/70/970331170.db2.gz WWICTCFVAUCYHM-UHFFFAOYSA-N 1 2 229.287 1.839 20 0 BDADLO COC[C@@H](C)[NH+]1CC(Oc2cccnc2)C1 ZINC001255575611 970371344 /nfs/dbraw/zinc/37/13/44/970371344.db2.gz BMJLYLSLOYZHCD-SNVBAGLBSA-N 1 2 222.288 1.180 20 0 BDADLO COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001255580838 970382722 /nfs/dbraw/zinc/38/27/22/970382722.db2.gz JDUURRNDJMRYRV-XGEHTFHBSA-N 1 2 239.237 1.425 20 0 BDADLO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001255580838 970382737 /nfs/dbraw/zinc/38/27/37/970382737.db2.gz JDUURRNDJMRYRV-XGEHTFHBSA-N 1 2 239.237 1.425 20 0 BDADLO C[C@@H](CSc1ccc(F)cc1)[NH+]1CC(O)C1 ZINC001255736719 970465808 /nfs/dbraw/zinc/46/58/08/970465808.db2.gz CYZBLGLNMTUGPO-VIFPVBQESA-N 1 2 241.331 1.983 20 0 BDADLO CCOC(=O)N1CC[C@H]([NH2+]CC(F)F)C1 ZINC001256012527 970611108 /nfs/dbraw/zinc/61/11/08/970611108.db2.gz JETQQYPPKWSKOJ-ZETCQYMHSA-N 1 2 222.235 1.072 20 0 BDADLO CCCOC[C@H](C)OCc1c[nH+]cn1C ZINC001222594584 972593899 /nfs/dbraw/zinc/59/38/99/972593899.db2.gz HDPFLVYCEKFULD-JTQLQIEISA-N 1 2 212.293 1.752 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1CCn2ccnc21 ZINC001222595446 972597397 /nfs/dbraw/zinc/59/73/97/972597397.db2.gz ZYQONBAXTAPLFD-SNVBAGLBSA-N 1 2 218.260 1.278 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cn1 ZINC001144262556 972713554 /nfs/dbraw/zinc/71/35/54/972713554.db2.gz BAQLKMYFSGPHBG-CYBMUJFWSA-N 1 2 234.299 1.731 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(O)cn1 ZINC001144262556 972713561 /nfs/dbraw/zinc/71/35/61/972713561.db2.gz BAQLKMYFSGPHBG-CYBMUJFWSA-N 1 2 234.299 1.731 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3cnccc3C2)nc1 ZINC001144253359 972716870 /nfs/dbraw/zinc/71/68/70/972716870.db2.gz UGYCUSFSFOKFQQ-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3cnccc3C2)nc1 ZINC001144253359 972716880 /nfs/dbraw/zinc/71/68/80/972716880.db2.gz UGYCUSFSFOKFQQ-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(O)cn1 ZINC001144253266 972717303 /nfs/dbraw/zinc/71/73/03/972717303.db2.gz PVMCKNLKGPBSBZ-BDAKNGLRSA-N 1 2 210.252 1.720 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(O)cn1 ZINC001144253266 972717311 /nfs/dbraw/zinc/71/73/11/972717311.db2.gz PVMCKNLKGPBSBZ-BDAKNGLRSA-N 1 2 210.252 1.720 20 0 BDADLO O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NCCn1cc[nH+]c1 ZINC001144288455 972749606 /nfs/dbraw/zinc/74/96/06/972749606.db2.gz YOYSYDAVYTXXJT-AGIUHOORSA-N 1 2 247.342 1.826 20 0 BDADLO CCN(Cc1nc(C)c(C)s1)C1C[NH+](C)C1 ZINC001144375183 972794384 /nfs/dbraw/zinc/79/43/84/972794384.db2.gz LPCDUUGLJYIEPA-UHFFFAOYSA-N 1 2 239.388 1.896 20 0 BDADLO COc1ccc(C[N@H+](C)C2(C)COC2)nc1 ZINC001144430690 972817783 /nfs/dbraw/zinc/81/77/83/972817783.db2.gz KLYOGBORYOESPL-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@@H+](C)C2(C)COC2)nc1 ZINC001144430690 972817785 /nfs/dbraw/zinc/81/77/85/972817785.db2.gz KLYOGBORYOESPL-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO C[C@H](C(=O)NC[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC001327992273 972844893 /nfs/dbraw/zinc/84/48/93/972844893.db2.gz BWVURHMJZJJRTR-NXEZZACHSA-N 1 2 221.304 1.606 20 0 BDADLO C[C@@]1(O)CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144616468 972895673 /nfs/dbraw/zinc/89/56/73/972895673.db2.gz PHJWOBFPEPAIRV-CYBMUJFWSA-N 1 2 231.299 1.291 20 0 BDADLO C[C@]1(O)CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144616471 972895848 /nfs/dbraw/zinc/89/58/48/972895848.db2.gz PHJWOBFPEPAIRV-ZDUSSCGKSA-N 1 2 231.299 1.291 20 0 BDADLO FC1(F)CC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001328393711 973014620 /nfs/dbraw/zinc/01/46/20/973014620.db2.gz IMHACEUDLKUOAM-UHFFFAOYSA-N 1 2 228.246 1.078 20 0 BDADLO c1[nH+]cn2c1CN(Cc1nnc(C3CC3)o1)CC2 ZINC001328410748 973035644 /nfs/dbraw/zinc/03/56/44/973035644.db2.gz VBVRCFOXHTWKHP-UHFFFAOYSA-N 1 2 245.286 1.159 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1nc[nH+]c2cc[nH]c21 ZINC001160885590 973105382 /nfs/dbraw/zinc/10/53/82/973105382.db2.gz ZXMQLYBUFAQQHP-QMMMGPOBSA-N 1 2 248.286 1.569 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H]2OCC[C@@H]2C1)n1cc[nH+]c1 ZINC001328569753 973148727 /nfs/dbraw/zinc/14/87/27/973148727.db2.gz XGRAJARUADHUOY-TUAOUCFPSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCS[C@H]1C)n1cc[nH+]c1 ZINC001328578106 973161679 /nfs/dbraw/zinc/16/16/79/973161679.db2.gz RYPOMHQLBLIISH-KXUCPTDWSA-N 1 2 239.344 1.454 20 0 BDADLO CC(=O)Oc1ccc(COC2C[NH+](C)C2)cc1 ZINC001223556159 973171862 /nfs/dbraw/zinc/17/18/62/973171862.db2.gz WGQPSSBLOWZWQF-UHFFFAOYSA-N 1 2 235.283 1.443 20 0 BDADLO CC[NH+]1CC(OCc2ncc3ccccc3n2)C1 ZINC001223798471 973286479 /nfs/dbraw/zinc/28/64/79/973286479.db2.gz WFSHDJFHLNJAPE-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO O=C(Cc1cncs1)N[C@@H]1CCn2c[nH+]cc21 ZINC001328726445 973312667 /nfs/dbraw/zinc/31/26/67/973312667.db2.gz RSMBXVOIKREOGV-SECBINFHSA-N 1 2 248.311 1.143 20 0 BDADLO CCCC[C@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001328742258 973320826 /nfs/dbraw/zinc/32/08/26/973320826.db2.gz SUFSNZKHLYFSBB-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO C[C@@H](C(=O)NCC1=CCCC1)n1cc[nH+]c1 ZINC001328829052 973364016 /nfs/dbraw/zinc/36/40/16/973364016.db2.gz UGIKFDYVRZUSHP-JTQLQIEISA-N 1 2 219.288 1.671 20 0 BDADLO C[C@H](c1nc([C@@H]2C[C@H]2C)no1)n1cc[nH+]c1 ZINC001329105108 973484408 /nfs/dbraw/zinc/48/44/08/973484408.db2.gz OOSPPONLRQKQGI-IWSPIJDZSA-N 1 2 218.260 1.999 20 0 BDADLO Cc1[nH]c(CN2CC[C@]23CCOC3)[nH+]c1C ZINC001329160494 973526203 /nfs/dbraw/zinc/52/62/03/973526203.db2.gz DHWSUEAGSPBGJG-GFCCVEGCSA-N 1 2 221.304 1.391 20 0 BDADLO C[C@H](CC(C)(C)O)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001329286280 973644073 /nfs/dbraw/zinc/64/40/73/973644073.db2.gz AMXNUQIZKGRFFF-ZJUUUORDSA-N 1 2 239.319 1.110 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001329549776 973822768 /nfs/dbraw/zinc/82/27/68/973822768.db2.gz YYFGMSPJUBQVMM-NXEZZACHSA-N 1 2 246.318 1.116 20 0 BDADLO CC(C)c1ccc(C(=O)NC2C[NH+](C)C2)cc1 ZINC001148323181 973827099 /nfs/dbraw/zinc/82/70/99/973827099.db2.gz VLKYHVWVNAOIOU-UHFFFAOYSA-N 1 2 232.327 1.854 20 0 BDADLO Cc1csc(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC000045034550 973855991 /nfs/dbraw/zinc/85/59/91/973855991.db2.gz ORUIFKLOGZIELZ-MRVPVSSYSA-N 1 2 236.300 1.848 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)n1cccc1 ZINC001148760686 973890323 /nfs/dbraw/zinc/89/03/23/973890323.db2.gz DEDLJIYCDNVHSF-JTQLQIEISA-N 1 2 232.287 1.397 20 0 BDADLO CC(C)c1cc(NC(=O)[C@@H]2CSC[NH2+]2)n[nH]1 ZINC000129153964 973894500 /nfs/dbraw/zinc/89/45/00/973894500.db2.gz ZYQYUTLDSBFFJK-QMMMGPOBSA-N 1 2 240.332 1.134 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3CCC[C@@H]3C2)nc[nH+]1 ZINC000585416320 973913806 /nfs/dbraw/zinc/91/38/06/973913806.db2.gz YGJXLZHOLYUHTB-PHIMTYICSA-N 1 2 232.331 1.779 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3CCC[C@@H]3C2)[nH+]cn1 ZINC000585416320 973913821 /nfs/dbraw/zinc/91/38/21/973913821.db2.gz YGJXLZHOLYUHTB-PHIMTYICSA-N 1 2 232.331 1.779 20 0 BDADLO OC1CCC(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC001329896012 974008622 /nfs/dbraw/zinc/00/86/22/974008622.db2.gz VOSGVGOOWZJZAF-ILDUYXDCSA-N 1 2 249.301 1.239 20 0 BDADLO C[C@@H](CC(F)(F)F)C(=O)NCc1c[nH+]cn1C ZINC001329893156 974011341 /nfs/dbraw/zinc/01/13/41/974011341.db2.gz WYJYLUQQCVULEQ-ZETCQYMHSA-N 1 2 249.236 1.625 20 0 BDADLO CC/C(C)=C/C(=O)NCc1c[nH+]cn1C ZINC001329891668 974011410 /nfs/dbraw/zinc/01/14/10/974011410.db2.gz OEIKGGHXALLHCS-WEVVVXLNSA-N 1 2 207.277 1.393 20 0 BDADLO O=C1C[N@H+]([C@H]2CCc3c(F)cccc3C2)CCN1 ZINC001171419636 974033532 /nfs/dbraw/zinc/03/35/32/974033532.db2.gz SJJHMMOIDZTMCC-NSHDSACASA-N 1 2 248.301 1.115 20 0 BDADLO O=C1C[N@@H+]([C@H]2CCc3c(F)cccc3C2)CCN1 ZINC001171419636 974033539 /nfs/dbraw/zinc/03/35/39/974033539.db2.gz SJJHMMOIDZTMCC-NSHDSACASA-N 1 2 248.301 1.115 20 0 BDADLO Cc1nc(NCCNC(=O)C2(C)CCC2)cc[nH+]1 ZINC001094039859 974047593 /nfs/dbraw/zinc/04/75/93/974047593.db2.gz ZMEPQCFOQFOQCP-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO CC(=O)CC(C)(C)Nc1cc[nH+]c(C)n1 ZINC001171498893 974083599 /nfs/dbraw/zinc/08/35/99/974083599.db2.gz IVHHDSBTZIFEJW-UHFFFAOYSA-N 1 2 207.277 1.955 20 0 BDADLO CCOC(=[NH2+])CCCCOC(=O)[C@H](C)O ZINC001224963013 974102273 /nfs/dbraw/zinc/10/22/73/974102273.db2.gz FIKSMQVPFXBZLU-QMMMGPOBSA-N 1 2 217.265 1.094 20 0 BDADLO Fc1cccc2c1C[C@@H]([NH+]1CC3(CCO3)C1)C2 ZINC001171804367 974192831 /nfs/dbraw/zinc/19/28/31/974192831.db2.gz FDZKHBGJIQBDAE-NSHDSACASA-N 1 2 233.286 1.768 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171801673 974196135 /nfs/dbraw/zinc/19/61/35/974196135.db2.gz QOHYDXBBLLUUPL-KOLCDFICSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171801673 974196148 /nfs/dbraw/zinc/19/61/48/974196148.db2.gz QOHYDXBBLLUUPL-KOLCDFICSA-N 1 2 248.301 1.113 20 0 BDADLO CCN1CC[C@@H]([NH+]2CC(F)(C3CC3)C2)CC1=O ZINC001172034552 974306405 /nfs/dbraw/zinc/30/64/05/974306405.db2.gz DNTJVEUBQIOWSJ-LLVKDONJSA-N 1 2 240.322 1.431 20 0 BDADLO c1cc2c(cn1)OC[C@@H]2Oc1cc[nH+]cc1 ZINC001225295493 974368576 /nfs/dbraw/zinc/36/85/76/974368576.db2.gz KXTIOMCVNHBBKE-LBPRGKRZSA-N 1 2 214.224 1.989 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cnc(C3CC3)nc2)n1 ZINC001330637912 974375567 /nfs/dbraw/zinc/37/55/67/974375567.db2.gz KHUVHRLBRFTPJE-UHFFFAOYSA-N 1 2 229.287 1.367 20 0 BDADLO Cc1nnc([C@H](C)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC001330672570 974400924 /nfs/dbraw/zinc/40/09/24/974400924.db2.gz NFUSPZAZBIJOLH-QMMMGPOBSA-N 1 2 235.291 1.569 20 0 BDADLO Cc1ccncc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001225410841 974470503 /nfs/dbraw/zinc/47/05/03/974470503.db2.gz HGQVEARTDMUUQO-NSHDSACASA-N 1 2 222.288 1.099 20 0 BDADLO C[C@@H](C(=O)N[C@H]1COC2(CCC2)C1)n1cc[nH+]c1 ZINC001330801747 974479035 /nfs/dbraw/zinc/47/90/35/974479035.db2.gz BMIFMCRQMXDNLY-WDEREUQCSA-N 1 2 249.314 1.272 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1COC2(CCC2)C1)n1cc[nH+]c1 ZINC001330801746 974481087 /nfs/dbraw/zinc/48/10/87/974481087.db2.gz BMIFMCRQMXDNLY-QWRGUYRKSA-N 1 2 249.314 1.272 20 0 BDADLO CC1(C)C[C@H]([NH+]2CC3(C2)CC(F)(F)CO3)CO1 ZINC001172288800 974554624 /nfs/dbraw/zinc/55/46/24/974554624.db2.gz KWZJGVDWGDHRCJ-VIFPVBQESA-N 1 2 247.285 1.664 20 0 BDADLO CCc1nc(C(=O)N[C@@H]2CCn3c[nH+]cc32)co1 ZINC001331225334 974650994 /nfs/dbraw/zinc/65/09/94/974650994.db2.gz RJMXSPFNTNUNHA-MRVPVSSYSA-N 1 2 246.270 1.308 20 0 BDADLO O=C(Cc1cccnc1)N[C@@H]1CCn2c[nH+]cc21 ZINC001331224122 974652099 /nfs/dbraw/zinc/65/20/99/974652099.db2.gz FPLDXQVSPNZYFE-LLVKDONJSA-N 1 2 242.282 1.082 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001331279734 974668368 /nfs/dbraw/zinc/66/83/68/974668368.db2.gz IEFHHEYZFFCBNN-KOLCDFICSA-N 1 2 221.304 1.749 20 0 BDADLO CC[C@H](CC(C)C)[NH+]1CC(S(C)(=O)=O)C1 ZINC001172408079 974669482 /nfs/dbraw/zinc/66/94/82/974669482.db2.gz RCGHOTUITDBGMC-SNVBAGLBSA-N 1 2 233.377 1.540 20 0 BDADLO Cc1cc(OC2C[NH+](C)C2)cnc1Cl ZINC001225822500 974696806 /nfs/dbraw/zinc/69/68/06/974696806.db2.gz MAQXXYLGYXJREQ-UHFFFAOYSA-N 1 2 212.680 1.736 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H](CC)CC(C)C ZINC001172387463 974735452 /nfs/dbraw/zinc/73/54/52/974735452.db2.gz XAQDDVKBMIGNGZ-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(c2)CCO3)C1 ZINC001226364449 974870776 /nfs/dbraw/zinc/87/07/76/974870776.db2.gz PUBBXQIJLAFWPN-UHFFFAOYSA-N 1 2 205.257 1.314 20 0 BDADLO C[NH+]1CC(Oc2ncnc3cc(F)ccc32)C1 ZINC001226387879 974874037 /nfs/dbraw/zinc/87/40/37/974874037.db2.gz HPACFAHZQZGYQG-UHFFFAOYSA-N 1 2 233.246 1.462 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([N@H+](C)CC(F)F)C1 ZINC001172624004 974897718 /nfs/dbraw/zinc/89/77/18/974897718.db2.gz UEUIOXHFNPTBSS-IUCAKERBSA-N 1 2 235.274 1.915 20 0 BDADLO CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC(=O)CC1 ZINC001172754456 974929445 /nfs/dbraw/zinc/92/94/45/974929445.db2.gz IMWBNOAGZXQRPN-LLVKDONJSA-N 1 2 241.331 1.772 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[NH+]1CCC(=O)CC1 ZINC001172754457 974930678 /nfs/dbraw/zinc/93/06/78/974930678.db2.gz IMWBNOAGZXQRPN-NSHDSACASA-N 1 2 241.331 1.772 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2cc(Cl)ncn2)C1 ZINC001226641475 974990740 /nfs/dbraw/zinc/99/07/40/974990740.db2.gz UEEVHUCJBJWZBC-UHFFFAOYSA-N 1 2 241.722 1.992 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cccn1C ZINC001203254254 975058292 /nfs/dbraw/zinc/05/82/92/975058292.db2.gz OGRPMWHHEKIHBN-SNVBAGLBSA-N 1 2 206.289 1.579 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1cccn1C ZINC001203254254 975058302 /nfs/dbraw/zinc/05/83/02/975058302.db2.gz OGRPMWHHEKIHBN-SNVBAGLBSA-N 1 2 206.289 1.579 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001332381266 975083761 /nfs/dbraw/zinc/08/37/61/975083761.db2.gz ZFOMVULBUWWWDX-VXGBXAGGSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@H]1CC[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC001173263358 975121443 /nfs/dbraw/zinc/12/14/43/975121443.db2.gz HXTZHNFKANJBNX-YTWAJWBKSA-N 1 2 229.320 1.077 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)NC(=O)CC3)C1 ZINC001226869770 975130933 /nfs/dbraw/zinc/13/09/33/975130933.db2.gz DSRRZPJTERJKPG-UHFFFAOYSA-N 1 2 246.310 1.654 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC001332494790 975175075 /nfs/dbraw/zinc/17/50/75/975175075.db2.gz UZYGARRPLDBILB-DDHJBXDOSA-N 1 2 233.315 1.749 20 0 BDADLO COCc1cc[nH+]c(NCc2cc(C)n[nH]2)c1 ZINC001332538836 975204327 /nfs/dbraw/zinc/20/43/27/975204327.db2.gz IALRHHNGCUIUBN-UHFFFAOYSA-N 1 2 232.287 1.872 20 0 BDADLO COCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001332897506 975313147 /nfs/dbraw/zinc/31/31/47/975313147.db2.gz MVCRTVSTVRPPGM-NSHDSACASA-N 1 2 233.315 1.816 20 0 BDADLO COCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001332897506 975313153 /nfs/dbraw/zinc/31/31/53/975313153.db2.gz MVCRTVSTVRPPGM-NSHDSACASA-N 1 2 233.315 1.816 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCOC1CC1 ZINC001332978509 975352422 /nfs/dbraw/zinc/35/24/22/975352422.db2.gz BMJDWSFMESSVEH-HNNXBMFYSA-N 1 2 231.361 1.008 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1CCOC1CC1 ZINC001332978509 975352429 /nfs/dbraw/zinc/35/24/29/975352429.db2.gz BMJDWSFMESSVEH-HNNXBMFYSA-N 1 2 231.361 1.008 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCCO2 ZINC000259008325 975397787 /nfs/dbraw/zinc/39/77/87/975397787.db2.gz ZVNUUDBHFWTEMV-UHFFFAOYSA-N 1 2 249.310 1.869 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCCO2 ZINC000259008325 975397795 /nfs/dbraw/zinc/39/77/95/975397795.db2.gz ZVNUUDBHFWTEMV-UHFFFAOYSA-N 1 2 249.310 1.869 20 0 BDADLO COC[C@@H](C)[C@@H](C)c1nnc(C[NH+](C)C)o1 ZINC001333123249 975462338 /nfs/dbraw/zinc/46/23/38/975462338.db2.gz ZSBPYJLPOCWDAC-RKDXNWHRSA-N 1 2 227.308 1.517 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C(=O)OC)cc2)C1 ZINC001227559529 975537784 /nfs/dbraw/zinc/53/77/84/975537784.db2.gz NAUAALFUTSSJJP-UHFFFAOYSA-N 1 2 235.283 1.556 20 0 BDADLO CCn1nccc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001333308846 975636502 /nfs/dbraw/zinc/63/65/02/975636502.db2.gz ZZBFSBNANIHIEC-KOLCDFICSA-N 1 2 246.318 1.290 20 0 BDADLO Cc1cnc(NCCC[NH+]2CCOCC2)o1 ZINC001333341734 975683208 /nfs/dbraw/zinc/68/32/08/975683208.db2.gz GZCBVIPRWSZZFE-UHFFFAOYSA-N 1 2 225.292 1.117 20 0 BDADLO O=C1[C@H]([N@@H+]2CCC=C(Cl)C2)CCN1C1CC1 ZINC001333413970 975757154 /nfs/dbraw/zinc/75/71/54/975757154.db2.gz NRNPYONJNBWSOC-LLVKDONJSA-N 1 2 240.734 1.578 20 0 BDADLO O=C1[C@H]([N@H+]2CCC=C(Cl)C2)CCN1C1CC1 ZINC001333413970 975757169 /nfs/dbraw/zinc/75/71/69/975757169.db2.gz NRNPYONJNBWSOC-LLVKDONJSA-N 1 2 240.734 1.578 20 0 BDADLO C[NH+]1CC(Oc2nccc3cc[nH]c32)C1 ZINC001227897523 975774516 /nfs/dbraw/zinc/77/45/16/975774516.db2.gz UNWCYQDRPKMHSA-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)C(=O)NCC3)C1 ZINC001227956913 975812536 /nfs/dbraw/zinc/81/25/36/975812536.db2.gz TUVSTMNGVOWNIO-UHFFFAOYSA-N 1 2 246.310 1.055 20 0 BDADLO OCC(F)(F)C[NH2+]CCc1ccc(F)cc1 ZINC001333719721 976024433 /nfs/dbraw/zinc/02/44/33/976024433.db2.gz XZAFULNKRVUSSO-UHFFFAOYSA-N 1 2 233.233 1.585 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)CCC1CC1)[C@@H](C)O ZINC001333734298 976044273 /nfs/dbraw/zinc/04/42/73/976044273.db2.gz NFWFYUIMMIHZCL-KKZNHRDASA-N 1 2 229.320 1.077 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC001333745557 976054616 /nfs/dbraw/zinc/05/46/16/976054616.db2.gz LZZDZUSPIQCNSY-CHWSQXEVSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC001333745557 976054629 /nfs/dbraw/zinc/05/46/29/976054629.db2.gz LZZDZUSPIQCNSY-CHWSQXEVSA-N 1 2 249.358 1.810 20 0 BDADLO CCc1cc(OC2C[NH+](C(C)C)C2)ncn1 ZINC001228289432 976066477 /nfs/dbraw/zinc/06/64/77/976066477.db2.gz DZMULKZCIOXQKA-UHFFFAOYSA-N 1 2 221.304 1.510 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001333844052 976117526 /nfs/dbraw/zinc/11/75/26/976117526.db2.gz UIWZKQLYFZFFPQ-SNVBAGLBSA-N 1 2 244.298 1.770 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001333844052 976117533 /nfs/dbraw/zinc/11/75/33/976117533.db2.gz UIWZKQLYFZFFPQ-SNVBAGLBSA-N 1 2 244.298 1.770 20 0 BDADLO Cc1[nH]c2ccc(OC3CCN(N)CC3)cc2[nH+]1 ZINC001228329057 976120394 /nfs/dbraw/zinc/12/03/94/976120394.db2.gz LCVYTUKXPOKBIA-UHFFFAOYSA-N 1 2 246.314 1.588 20 0 BDADLO CC(C)[NH+]1CC(Oc2cc(=O)[nH]cc2Cl)C1 ZINC001228348009 976140625 /nfs/dbraw/zinc/14/06/25/976140625.db2.gz YRQDZPHWAKPDKS-UHFFFAOYSA-N 1 2 242.706 1.912 20 0 BDADLO CCc1cc(NCc2noc(C)n2)nc(CC)[nH+]1 ZINC001334152779 976338042 /nfs/dbraw/zinc/33/80/42/976338042.db2.gz BQTXWQYDCQAPHQ-UHFFFAOYSA-N 1 2 247.302 1.905 20 0 BDADLO COc1ncccc1OC1C[NH+](C(C)(C)C)C1 ZINC001228592961 976371359 /nfs/dbraw/zinc/37/13/59/976371359.db2.gz KAGHCGIKDGDPEC-UHFFFAOYSA-N 1 2 236.315 1.952 20 0 BDADLO CCc1cc(N2CC[C@@]23CCOC3)nc(CC)[nH+]1 ZINC001334271788 976416378 /nfs/dbraw/zinc/41/63/78/976416378.db2.gz SBXDPGOHUMPXGT-AWEZNQCLSA-N 1 2 247.342 1.971 20 0 BDADLO c1cc(O[C@H]2C[NH+]3CCC2CC3)cc2[nH]nnc12 ZINC001228663344 976421329 /nfs/dbraw/zinc/42/13/29/976421329.db2.gz ARJZMAQBYQNMFC-ZDUSSCGKSA-N 1 2 244.298 1.431 20 0 BDADLO Cc1nc(OC2C[NH+](C)C2)c2cccc(O)c2n1 ZINC001228829483 976506618 /nfs/dbraw/zinc/50/66/18/976506618.db2.gz BXNMYNLNJGTRBZ-UHFFFAOYSA-N 1 2 245.282 1.337 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001334798878 976679311 /nfs/dbraw/zinc/67/93/11/976679311.db2.gz PBQRGFWOCHKQBO-GARJFASQSA-N 1 2 239.315 1.097 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001334798878 976679322 /nfs/dbraw/zinc/67/93/22/976679322.db2.gz PBQRGFWOCHKQBO-GARJFASQSA-N 1 2 239.315 1.097 20 0 BDADLO CC[NH+]1CC(Oc2ccc(NC(C)=O)nc2)C1 ZINC001229097791 976722296 /nfs/dbraw/zinc/72/22/96/976722296.db2.gz XNARNOLWWIFTFI-UHFFFAOYSA-N 1 2 235.287 1.123 20 0 BDADLO CC[NH+]1CC(Oc2ccn3ccnc3c2)C1 ZINC001229105155 976728691 /nfs/dbraw/zinc/72/86/91/976728691.db2.gz OVAYMDUAYMZRBH-UHFFFAOYSA-N 1 2 217.272 1.417 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2nonc2C)s1 ZINC001335210932 976887205 /nfs/dbraw/zinc/88/72/05/976887205.db2.gz KQWBUFSPJAKGOK-LURJTMIESA-N 1 2 238.316 1.994 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ncc(F)cc2F)C1 ZINC001229857897 977005800 /nfs/dbraw/zinc/00/58/00/977005800.db2.gz BLJGIHTZUPGDER-SECBINFHSA-N 1 2 244.241 1.069 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ncc(F)cc2F)C1 ZINC001229857897 977005812 /nfs/dbraw/zinc/00/58/12/977005812.db2.gz BLJGIHTZUPGDER-SECBINFHSA-N 1 2 244.241 1.069 20 0 BDADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)n(C)n1 ZINC001174822082 977077141 /nfs/dbraw/zinc/07/71/41/977077141.db2.gz PLEGPMYWMHLIFT-UHFFFAOYSA-N 1 2 231.303 1.933 20 0 BDADLO CCc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc(CC)[nH+]1 ZINC001335478955 977085247 /nfs/dbraw/zinc/08/52/47/977085247.db2.gz NEFHEEVUIVACRH-GHMZBOCLSA-N 1 2 249.358 1.809 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ncnn2C)c(C)n1 ZINC001335491512 977097278 /nfs/dbraw/zinc/09/72/78/977097278.db2.gz XDNSDGPXJLJOTP-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(F)(F)C1 ZINC001335517169 977114520 /nfs/dbraw/zinc/11/45/20/977114520.db2.gz PZLRPDLWZJHWNM-UHFFFAOYSA-N 1 2 237.209 1.654 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc3ccccc3[nH]2)C1 ZINC001230744006 977322744 /nfs/dbraw/zinc/32/27/44/977322744.db2.gz GCTWKGPETGTTPZ-GFCCVEGCSA-N 1 2 246.310 1.877 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc3ccccc3[nH]2)C1 ZINC001230744006 977322753 /nfs/dbraw/zinc/32/27/53/977322753.db2.gz GCTWKGPETGTTPZ-GFCCVEGCSA-N 1 2 246.310 1.877 20 0 BDADLO Nc1cc(NC(=O)C[C@H]([NH3+])C(F)F)ccc1F ZINC001335847099 977326925 /nfs/dbraw/zinc/32/69/25/977326925.db2.gz UKWQXFFSUVJUFP-QMMMGPOBSA-N 1 2 247.220 1.329 20 0 BDADLO Cc1cnc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001175337669 977384647 /nfs/dbraw/zinc/38/46/47/977384647.db2.gz HFSZJESUKJXWQZ-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO C[NH+]1CC(Oc2cc3n[nH]cc3c(F)c2)C1 ZINC001230930027 977388397 /nfs/dbraw/zinc/38/83/97/977388397.db2.gz GYOKPIJLNIQWFR-UHFFFAOYSA-N 1 2 221.235 1.395 20 0 BDADLO Cc1cccc(F)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001231032385 977439293 /nfs/dbraw/zinc/43/92/93/977439293.db2.gz VHDLAHQOHSVJRS-NSHDSACASA-N 1 2 239.290 1.844 20 0 BDADLO Cc1cccc(F)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001231032385 977439296 /nfs/dbraw/zinc/43/92/96/977439296.db2.gz VHDLAHQOHSVJRS-NSHDSACASA-N 1 2 239.290 1.844 20 0 BDADLO c1[nH]c2cccnc2c1C[N@@H+]1CCC12COC2 ZINC001231490565 977613033 /nfs/dbraw/zinc/61/30/33/977613033.db2.gz SCUHNQKIXDRFHK-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO c1[nH]c2cccnc2c1C[N@H+]1CCC12COC2 ZINC001231490565 977613037 /nfs/dbraw/zinc/61/30/37/977613037.db2.gz SCUHNQKIXDRFHK-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO COC1C[NH+](Cc2c[nH]c3cnccc23)C1 ZINC001231514234 977620673 /nfs/dbraw/zinc/62/06/73/977620673.db2.gz NPCWZBFJNZKTKF-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO CCc1ccc(C[N@H+](C)C2(C)COC2)nc1 ZINC001231642457 977657848 /nfs/dbraw/zinc/65/78/48/977657848.db2.gz YNNNEJKDEAIKAP-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@@H+](C)C2(C)COC2)nc1 ZINC001231642457 977657855 /nfs/dbraw/zinc/65/78/55/977657855.db2.gz YNNNEJKDEAIKAP-UHFFFAOYSA-N 1 2 220.316 1.865 20 0 BDADLO CCOc1ccc(C[NH+]2CC(C)(CO)C2)cn1 ZINC001231650321 977664277 /nfs/dbraw/zinc/66/42/77/977664277.db2.gz YGLWCRGQARCZIW-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO ClC(Cl)=CC[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001175707468 977687301 /nfs/dbraw/zinc/68/73/01/977687301.db2.gz MKXZNFCLJUBMPA-ZCFIWIBFSA-N 1 2 248.117 1.308 20 0 BDADLO ClC(Cl)=CC[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001175707468 977687309 /nfs/dbraw/zinc/68/73/09/977687309.db2.gz MKXZNFCLJUBMPA-ZCFIWIBFSA-N 1 2 248.117 1.308 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2ncccn2)n1 ZINC001175709069 977690746 /nfs/dbraw/zinc/69/07/46/977690746.db2.gz YSFLRBCKMYUSDO-UHFFFAOYSA-N 1 2 242.326 1.855 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2ncccn2)n1 ZINC001175709069 977690757 /nfs/dbraw/zinc/69/07/57/977690757.db2.gz YSFLRBCKMYUSDO-UHFFFAOYSA-N 1 2 242.326 1.855 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1nc(C)ccc1O ZINC001231676963 977693258 /nfs/dbraw/zinc/69/32/58/977693258.db2.gz LBMPKBDCQPLYOV-RYUDHWBXSA-N 1 2 247.342 1.374 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1nc(C)ccc1O ZINC001231676963 977693265 /nfs/dbraw/zinc/69/32/65/977693265.db2.gz LBMPKBDCQPLYOV-RYUDHWBXSA-N 1 2 247.342 1.374 20 0 BDADLO Cc1cc(C[NH+]2CC3(CC(O)C3)C2)cnc1F ZINC001231923790 977796625 /nfs/dbraw/zinc/79/66/25/977796625.db2.gz WWFPKCHFMGBIIX-UHFFFAOYSA-N 1 2 236.290 1.486 20 0 BDADLO CCc1ccc(N2C[C@@H]3C[C@]3(CO)C2)[nH+]c1 ZINC001336589298 977801523 /nfs/dbraw/zinc/80/15/23/977801523.db2.gz AKKIGRPEBXUYCJ-WCQYABFASA-N 1 2 218.300 1.463 20 0 BDADLO CCc1ccc(N(CCO)C2CCC2)[nH+]c1 ZINC001336593614 977803289 /nfs/dbraw/zinc/80/32/89/977803289.db2.gz XVSZFTFULAZXJN-UHFFFAOYSA-N 1 2 220.316 1.995 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](CO)O[C@@H](C)C2)[nH+]1 ZINC001336595105 977803470 /nfs/dbraw/zinc/80/34/70/977803470.db2.gz CSOOWCLLTWTNMX-GXSJLCMTSA-N 1 2 240.278 1.115 20 0 BDADLO COc1cnc(C[NH+]2CCC(F)(F)CC2)cn1 ZINC001231934108 977803532 /nfs/dbraw/zinc/80/35/32/977803532.db2.gz PIPYBVIAIXKYJI-UHFFFAOYSA-N 1 2 243.257 1.716 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ncccc2Cl)CC[C@@H]1F ZINC001231958256 977810498 /nfs/dbraw/zinc/81/04/98/977810498.db2.gz RIVHKVGETGWBJR-GXSJLCMTSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@@H]1F ZINC001231958256 977810501 /nfs/dbraw/zinc/81/05/01/977810501.db2.gz RIVHKVGETGWBJR-GXSJLCMTSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc(C)n1 ZINC001231995232 977825314 /nfs/dbraw/zinc/82/53/14/977825314.db2.gz JVFACQRFAIRSTJ-CHWSQXEVSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc(C)n1 ZINC001231995232 977825316 /nfs/dbraw/zinc/82/53/16/977825316.db2.gz JVFACQRFAIRSTJ-CHWSQXEVSA-N 1 2 238.306 1.603 20 0 BDADLO O=c1ccc(C[NH+]2Cc3ccccc3C2)n[nH]1 ZINC001232021103 977849516 /nfs/dbraw/zinc/84/95/16/977849516.db2.gz ATSWTQIBOOXWSP-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO O=c1ccc(C[N@@H+]2CCc3sccc3C2)n[nH]1 ZINC001232022868 977850790 /nfs/dbraw/zinc/85/07/90/977850790.db2.gz COLRKXBBIJUBAZ-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO O=c1ccc(C[N@H+]2CCc3sccc3C2)n[nH]1 ZINC001232022868 977850796 /nfs/dbraw/zinc/85/07/96/977850796.db2.gz COLRKXBBIJUBAZ-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(=O)[nH]n1 ZINC001232022091 977850807 /nfs/dbraw/zinc/85/08/07/977850807.db2.gz XOGDIAKAPJVFOX-HTQZYQBOSA-N 1 2 211.240 1.115 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(=O)[nH]n1 ZINC001232022091 977850812 /nfs/dbraw/zinc/85/08/12/977850812.db2.gz XOGDIAKAPJVFOX-HTQZYQBOSA-N 1 2 211.240 1.115 20 0 BDADLO CCc1ccc(N2CCC(=O)N(C)CC2)[nH+]c1 ZINC001336693694 977860048 /nfs/dbraw/zinc/86/00/48/977860048.db2.gz QZJPHRNOXHCVQN-UHFFFAOYSA-N 1 2 233.315 1.313 20 0 BDADLO Cc1ncc([C@@H](C)Nc2cc(N)nc[nH+]2)s1 ZINC001336705201 977869793 /nfs/dbraw/zinc/86/97/93/977869793.db2.gz CKRRKRFFIHKKQM-ZCFIWIBFSA-N 1 2 235.316 1.997 20 0 BDADLO COC(=O)c1scnc1Nc1[nH]cc[nH+]1 ZINC001176080700 977875268 /nfs/dbraw/zinc/87/52/68/977875268.db2.gz VFQBJJSFKMKGET-UHFFFAOYSA-N 1 2 224.245 1.396 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cnc(F)cc2C)n1C ZINC001336709324 977876590 /nfs/dbraw/zinc/87/65/90/977876590.db2.gz HAYYSDSYSGPMEI-UHFFFAOYSA-N 1 2 249.293 1.256 20 0 BDADLO Nc1cnc(Cl)c(Nc2[nH]cc[nH+]2)n1 ZINC001176082168 977881470 /nfs/dbraw/zinc/88/14/70/977881470.db2.gz XKBIMZMUZAZDDV-UHFFFAOYSA-N 1 2 210.628 1.179 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(C)n1 ZINC001232085269 977884063 /nfs/dbraw/zinc/88/40/63/977884063.db2.gz MYIKHFBZBQKGKE-BETUJISGSA-N 1 2 218.300 1.672 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(C)n1 ZINC001232085269 977884068 /nfs/dbraw/zinc/88/40/68/977884068.db2.gz MYIKHFBZBQKGKE-BETUJISGSA-N 1 2 218.300 1.672 20 0 BDADLO CCc1cc(NCc2[nH]c(C)c(C)[nH+]2)ncn1 ZINC001336727045 977885151 /nfs/dbraw/zinc/88/51/51/977885151.db2.gz VBDBAPFBBMZUSY-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO Cc1ccc(C[N@@H+](C)C2(C)COC2)c(C)n1 ZINC001232085119 977885312 /nfs/dbraw/zinc/88/53/12/977885312.db2.gz GKJBQKFUCZYDSC-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1ccc(C[N@H+](C)C2(C)COC2)c(C)n1 ZINC001232085119 977885315 /nfs/dbraw/zinc/88/53/15/977885315.db2.gz GKJBQKFUCZYDSC-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(F)(F)F)n1 ZINC001232086211 977888362 /nfs/dbraw/zinc/88/83/62/977888362.db2.gz OFXIQVHGDDFUEL-MRVPVSSYSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(F)(F)F)n1 ZINC001232086211 977888369 /nfs/dbraw/zinc/88/83/69/977888369.db2.gz OFXIQVHGDDFUEL-MRVPVSSYSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC(=O)CC2)c(C2CC2)n1 ZINC001232169690 977901147 /nfs/dbraw/zinc/90/11/47/977901147.db2.gz SNWZBBJGBPPFMX-UHFFFAOYSA-N 1 2 247.342 1.853 20 0 BDADLO Cn1cc(C[N@H+]2CCCC(=O)CC2)c(C2CC2)n1 ZINC001232169690 977901160 /nfs/dbraw/zinc/90/11/60/977901160.db2.gz SNWZBBJGBPPFMX-UHFFFAOYSA-N 1 2 247.342 1.853 20 0 BDADLO Cc1cc(NC2=CCOCC2)nc(C)[nH+]1 ZINC001176138970 977913920 /nfs/dbraw/zinc/91/39/20/977913920.db2.gz HMGFXTYLGLLFNR-UHFFFAOYSA-N 1 2 205.261 1.810 20 0 BDADLO Cc1scnc1C[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001232210029 977937330 /nfs/dbraw/zinc/93/73/30/977937330.db2.gz KLBREPJQLGJFFZ-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1scnc1C[N@H+]1CCOC[C@@](C)(O)C1 ZINC001232210029 977937343 /nfs/dbraw/zinc/93/73/43/977937343.db2.gz KLBREPJQLGJFFZ-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO c1nscc1C[NH+]1CC2(C1)CCOC2 ZINC001232224566 977942386 /nfs/dbraw/zinc/94/23/86/977942386.db2.gz MJZJJCGYRCIBLZ-UHFFFAOYSA-N 1 2 210.302 1.365 20 0 BDADLO COc1cc[nH+]cc1Nc1cccc(CO)n1 ZINC001176118660 977950569 /nfs/dbraw/zinc/95/05/69/977950569.db2.gz KRRPHGKMEBJDGE-UHFFFAOYSA-N 1 2 231.255 1.721 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc2cnccn21 ZINC001176118858 977951222 /nfs/dbraw/zinc/95/12/22/977951222.db2.gz LTVAKYHYNUWODV-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO COc1cc[nH+]cc1Nc1ccc(CO)nc1 ZINC001176118620 977952583 /nfs/dbraw/zinc/95/25/83/977952583.db2.gz KEDGKVITMQBGRU-UHFFFAOYSA-N 1 2 231.255 1.721 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnsc1 ZINC001232230699 977966065 /nfs/dbraw/zinc/96/60/65/977966065.db2.gz SUCNLYNJMKLFRA-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cnsc1 ZINC001232230699 977966070 /nfs/dbraw/zinc/96/60/70/977966070.db2.gz SUCNLYNJMKLFRA-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)s1 ZINC001232246875 977977851 /nfs/dbraw/zinc/97/78/51/977977851.db2.gz WXERPDBREGUMBF-BDAKNGLRSA-N 1 2 209.318 1.831 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]3C[C@@H]32)s1 ZINC001232246875 977977860 /nfs/dbraw/zinc/97/78/60/977977860.db2.gz WXERPDBREGUMBF-BDAKNGLRSA-N 1 2 209.318 1.831 20 0 BDADLO COC1(C[N@H+](C)Cc2nnc(C)o2)CCC1 ZINC001331074680 977991665 /nfs/dbraw/zinc/99/16/65/977991665.db2.gz GNYAHOGTGXALQH-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COC1(C[N@@H+](C)Cc2nnc(C)o2)CCC1 ZINC001331074680 977991669 /nfs/dbraw/zinc/99/16/69/977991669.db2.gz GNYAHOGTGXALQH-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCOCC12CC2 ZINC001232343322 978027284 /nfs/dbraw/zinc/02/72/84/978027284.db2.gz WAWPRABIDREIPW-UHFFFAOYSA-N 1 2 233.315 1.337 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCOCC12CC2 ZINC001232343322 978027293 /nfs/dbraw/zinc/02/72/93/978027293.db2.gz WAWPRABIDREIPW-UHFFFAOYSA-N 1 2 233.315 1.337 20 0 BDADLO C[C@]1(F)CC[N@H+](Cc2ccc(N)nc2)C[C@H]1F ZINC001232364246 978037172 /nfs/dbraw/zinc/03/71/72/978037172.db2.gz KXELOCQRHNLZSR-PWSUYJOCSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@]1(F)CC[N@@H+](Cc2ccc(N)nc2)C[C@H]1F ZINC001232364246 978037183 /nfs/dbraw/zinc/03/71/83/978037183.db2.gz KXELOCQRHNLZSR-PWSUYJOCSA-N 1 2 241.285 1.936 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@@H+]1CCOC[C@H]1C1CC1 ZINC001232430777 978071821 /nfs/dbraw/zinc/07/18/21/978071821.db2.gz DUCAZFSXGJYLPV-AWEZNQCLSA-N 1 2 247.342 1.509 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@H+]1CCOC[C@H]1C1CC1 ZINC001232430777 978071827 /nfs/dbraw/zinc/07/18/27/978071827.db2.gz DUCAZFSXGJYLPV-AWEZNQCLSA-N 1 2 247.342 1.509 20 0 BDADLO COC(=O)c1cccc2[nH]nc(C[NH+](C)C)c21 ZINC001232434301 978080370 /nfs/dbraw/zinc/08/03/70/978080370.db2.gz MSVLPMXNMIABSC-UHFFFAOYSA-N 1 2 233.271 1.411 20 0 BDADLO CCOc1cc[nH+]cc1Nc1cnn(CCO)c1 ZINC001176472507 978092336 /nfs/dbraw/zinc/09/23/36/978092336.db2.gz IDQYRXQBGNPTAL-UHFFFAOYSA-N 1 2 248.286 1.413 20 0 BDADLO Cc1[nH]c(CN2CCC[C@@H]2c2cnccn2)c[nH+]1 ZINC001232463174 978111250 /nfs/dbraw/zinc/11/12/50/978111250.db2.gz CZNNPEJCLUXEKC-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)n[nH]c1C ZINC000261109813 978144909 /nfs/dbraw/zinc/14/49/09/978144909.db2.gz CZSNEBHDDZVPCI-NSHDSACASA-N 1 2 237.303 1.164 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)n[nH]c1C ZINC000261109813 978144918 /nfs/dbraw/zinc/14/49/18/978144918.db2.gz CZSNEBHDDZVPCI-NSHDSACASA-N 1 2 237.303 1.164 20 0 BDADLO Cc1ccc(CO)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176826682 978190283 /nfs/dbraw/zinc/19/02/83/978190283.db2.gz VQIDXWXCWDEVIE-UHFFFAOYSA-N 1 2 245.282 1.392 20 0 BDADLO COc1cc(NC(=O)Cc2c[nH]c[nH+]2)c(C)cn1 ZINC001176827364 978190903 /nfs/dbraw/zinc/19/09/03/978190903.db2.gz KGTKQARCJIJDLA-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc[nH]c1=S ZINC001176828118 978191437 /nfs/dbraw/zinc/19/14/37/978191437.db2.gz YTLQLPRUQXUUTQ-UHFFFAOYSA-N 1 2 234.284 1.275 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C2(CC2)C1 ZINC001176830973 978197190 /nfs/dbraw/zinc/19/71/90/978197190.db2.gz IJMBPXNIEDAJLI-SECBINFHSA-N 1 2 219.288 1.353 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccccc1CO ZINC001176832660 978199472 /nfs/dbraw/zinc/19/94/72/978199472.db2.gz YHLNQYVIZPGLOT-UHFFFAOYSA-N 1 2 231.255 1.083 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001232620200 978201084 /nfs/dbraw/zinc/20/10/84/978201084.db2.gz KNJUMQPPRBESJM-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO COc1cccc(C)c1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001232620200 978201090 /nfs/dbraw/zinc/20/10/90/978201090.db2.gz KNJUMQPPRBESJM-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO CCCCC(=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001176836653 978203666 /nfs/dbraw/zinc/20/36/66/978203666.db2.gz NFKXTDBMFHNAJO-VIFPVBQESA-N 1 2 237.303 1.216 20 0 BDADLO O=C1C[N@H+](Cc2cccc3c2CCCC3)CCN1 ZINC001232634868 978204954 /nfs/dbraw/zinc/20/49/54/978204954.db2.gz YNYTTZNOQUOTRW-UHFFFAOYSA-N 1 2 244.338 1.497 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3c2CCCC3)CCN1 ZINC001232634868 978204960 /nfs/dbraw/zinc/20/49/60/978204960.db2.gz YNYTTZNOQUOTRW-UHFFFAOYSA-N 1 2 244.338 1.497 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C(F)(F)F)CC1 ZINC001176835863 978204967 /nfs/dbraw/zinc/20/49/67/978204967.db2.gz FQSXUDNWVMWEPZ-UHFFFAOYSA-N 1 2 233.193 1.163 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCOc1ccccc1 ZINC001176836436 978205904 /nfs/dbraw/zinc/20/59/04/978205904.db2.gz JCIBWXOPCSUYFM-UHFFFAOYSA-N 1 2 231.255 1.105 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cncc2cnccc21 ZINC001232649975 978211888 /nfs/dbraw/zinc/21/18/88/978211888.db2.gz OYJBBKFUBPWMSO-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cncc2cnccc21 ZINC001232649975 978211893 /nfs/dbraw/zinc/21/18/93/978211893.db2.gz OYJBBKFUBPWMSO-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccncc1 ZINC001176872901 978219255 /nfs/dbraw/zinc/21/92/55/978219255.db2.gz SPFMYSYHFQXDKC-LLVKDONJSA-N 1 2 244.298 1.546 20 0 BDADLO CNc1ccccc1C[NH+]1CC(N(C)C(C)=O)C1 ZINC001232671900 978224948 /nfs/dbraw/zinc/22/49/48/978224948.db2.gz SQIDXDPQFYHKJW-UHFFFAOYSA-N 1 2 247.342 1.391 20 0 BDADLO CCCn1cnc(C[N@@H+]2CC[C@@H]2COC)c1 ZINC001232800265 978290166 /nfs/dbraw/zinc/29/01/66/978290166.db2.gz BQAJRUJQEGKNAI-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1cnc(C[N@H+]2CC[C@@H]2COC)c1 ZINC001232800265 978290172 /nfs/dbraw/zinc/29/01/72/978290172.db2.gz BQAJRUJQEGKNAI-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO COc1cc(O)cc(C[N@H+](C)CCF)c1 ZINC001232808498 978296893 /nfs/dbraw/zinc/29/68/93/978296893.db2.gz ICEWDKVYIALYBI-UHFFFAOYSA-N 1 2 213.252 1.802 20 0 BDADLO COc1cc(O)cc(C[N@@H+](C)CCF)c1 ZINC001232808498 978296901 /nfs/dbraw/zinc/29/69/01/978296901.db2.gz ICEWDKVYIALYBI-UHFFFAOYSA-N 1 2 213.252 1.802 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccsc2)c[nH+]1 ZINC001597250780 978301020 /nfs/dbraw/zinc/30/10/20/978301020.db2.gz KAUJJXQNAIULMS-UHFFFAOYSA-N 1 2 235.312 1.964 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccsc2)[nH+]1 ZINC001597250780 978301030 /nfs/dbraw/zinc/30/10/30/978301030.db2.gz KAUJJXQNAIULMS-UHFFFAOYSA-N 1 2 235.312 1.964 20 0 BDADLO c1nc2ccc(C[NH+]3CCOCC3)cc2o1 ZINC001232939704 978347291 /nfs/dbraw/zinc/34/72/91/978347291.db2.gz UITQZEILUJGBLH-UHFFFAOYSA-N 1 2 218.256 1.660 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cccc(F)n1 ZINC001597683348 978351331 /nfs/dbraw/zinc/35/13/31/978351331.db2.gz CSMQRGOEHJMPRU-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO CC1CC(N(C)C(=O)CN(C)c2cccc[nH+]2)C1 ZINC001177409854 978353947 /nfs/dbraw/zinc/35/39/47/978353947.db2.gz RWXRTRVXXSJVNX-UHFFFAOYSA-N 1 2 247.342 1.775 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1(C)CC1 ZINC001337469610 978358194 /nfs/dbraw/zinc/35/81/94/978358194.db2.gz UEZJFHQVJLKRIZ-GHMZBOCLSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721929615 978366276 /nfs/dbraw/zinc/36/62/76/978366276.db2.gz OWCLDZWCLZOCON-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2scnc2Cl)C[C@@H]1O ZINC000721929615 978366292 /nfs/dbraw/zinc/36/62/92/978366292.db2.gz OWCLDZWCLZOCON-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cccs2)C1 ZINC001177542039 978388762 /nfs/dbraw/zinc/38/87/62/978388762.db2.gz AFXANBJODKRVKM-NXEZZACHSA-N 1 2 236.340 1.282 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2cnc(C)cc2C)C1 ZINC001233006343 978402201 /nfs/dbraw/zinc/40/22/01/978402201.db2.gz AYXCCXDYKILRDD-UHFFFAOYSA-N 1 2 248.326 1.693 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CSC1CC1 ZINC001337639327 978438007 /nfs/dbraw/zinc/43/80/07/978438007.db2.gz IHMWCPVUNQRAEO-UHFFFAOYSA-N 1 2 236.340 1.954 20 0 BDADLO CC1(C)[C@@H]2C[N@@H+](Cc3nc4ccccn4n3)C[C@@H]21 ZINC001233073227 978461394 /nfs/dbraw/zinc/46/13/94/978461394.db2.gz OVNQLWUISKBROR-PHIMTYICSA-N 1 2 242.326 1.817 20 0 BDADLO CC1(C)[C@@H]2C[N@H+](Cc3nc4ccccn4n3)C[C@@H]21 ZINC001233073227 978461404 /nfs/dbraw/zinc/46/14/04/978461404.db2.gz OVNQLWUISKBROR-PHIMTYICSA-N 1 2 242.326 1.817 20 0 BDADLO CC1(CO)C[NH+](Cc2[nH]nc3cc(F)ccc32)C1 ZINC001233120038 978470212 /nfs/dbraw/zinc/47/02/12/978470212.db2.gz SXRRGXQDFPFLKK-UHFFFAOYSA-N 1 2 249.289 1.516 20 0 BDADLO CN(C)c1ccc(C[NH+]2CC=CC2)c(F)n1 ZINC001233114770 978470366 /nfs/dbraw/zinc/47/03/66/978470366.db2.gz MZCCAKRCBMADHE-UHFFFAOYSA-N 1 2 221.279 1.659 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001177921972 978472283 /nfs/dbraw/zinc/47/22/83/978472283.db2.gz NMZVARQWJGLDDB-SECBINFHSA-N 1 2 246.270 1.492 20 0 BDADLO Cc1cnc(C)c(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001177918168 978472864 /nfs/dbraw/zinc/47/28/64/978472864.db2.gz RAUVSNDGPKFVJW-SNVBAGLBSA-N 1 2 245.286 1.490 20 0 BDADLO C[C@H](C(=O)NCc1cccn1C)n1cc[nH+]c1 ZINC001177926250 978476257 /nfs/dbraw/zinc/47/62/57/978476257.db2.gz GBAQBEWAVLUJFY-SNVBAGLBSA-N 1 2 232.287 1.099 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cncnc1 ZINC001177997968 978482210 /nfs/dbraw/zinc/48/22/10/978482210.db2.gz ILYXNXYXACRKSY-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001178000180 978488181 /nfs/dbraw/zinc/48/81/81/978488181.db2.gz AIOTXPQDVZYSBE-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001177994698 978495804 /nfs/dbraw/zinc/49/58/04/978495804.db2.gz ZLSYHPYFDUVFLJ-GUBZILKMSA-N 1 2 237.278 1.159 20 0 BDADLO C[NH+]1CC(NC(=O)C(C)(C)Cc2ccccn2)C1 ZINC001178187348 978518482 /nfs/dbraw/zinc/51/84/82/978518482.db2.gz PGOURHHNEWIFQL-UHFFFAOYSA-N 1 2 247.342 1.081 20 0 BDADLO Cc1cn(C)nc1C[NH2+]Cc1cccc(F)n1 ZINC001178248539 978525421 /nfs/dbraw/zinc/52/54/21/978525421.db2.gz BIZOGEXCKWPGDJ-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO COCOc1cccc(C[NH+]2CCOCC2)c1 ZINC001233278616 978527832 /nfs/dbraw/zinc/52/78/32/978527832.db2.gz YWKUUTBUDYYNOJ-UHFFFAOYSA-N 1 2 237.299 1.502 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001206322926 978530346 /nfs/dbraw/zinc/53/03/46/978530346.db2.gz WRZWOXVEGFXIEZ-STQMWFEESA-N 1 2 247.342 1.754 20 0 BDADLO Cn1nccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001206322926 978530352 /nfs/dbraw/zinc/53/03/52/978530352.db2.gz WRZWOXVEGFXIEZ-STQMWFEESA-N 1 2 247.342 1.754 20 0 BDADLO c1cnn(-c2cc[nH+]cc2NCc2cnc[nH]2)c1 ZINC001178310959 978548873 /nfs/dbraw/zinc/54/88/73/978548873.db2.gz QNCGYYSAKHHQJS-UHFFFAOYSA-N 1 2 240.270 1.603 20 0 BDADLO Nc1cccc(CN2CCn3cccc3C2)[nH+]1 ZINC001233371483 978583101 /nfs/dbraw/zinc/58/31/01/978583101.db2.gz SPSKXEJVCSFIJL-UHFFFAOYSA-N 1 2 228.299 1.481 20 0 BDADLO Cc1nc2c(o1)CCN(Cc1cccc(N)[nH+]1)C2 ZINC001233373733 978587950 /nfs/dbraw/zinc/58/79/50/978587950.db2.gz ZPQOOHYFPYFLEN-UHFFFAOYSA-N 1 2 244.298 1.519 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1N ZINC001233383055 978594265 /nfs/dbraw/zinc/59/42/65/978594265.db2.gz TUBFDPHQOFEWEA-SECBINFHSA-N 1 2 242.269 1.768 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(F)c(F)cc1N ZINC001233383055 978594269 /nfs/dbraw/zinc/59/42/69/978594269.db2.gz TUBFDPHQOFEWEA-SECBINFHSA-N 1 2 242.269 1.768 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446433 978601665 /nfs/dbraw/zinc/60/16/65/978601665.db2.gz VOAQFXFKBFVLLR-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446433 978601669 /nfs/dbraw/zinc/60/16/69/978601669.db2.gz VOAQFXFKBFVLLR-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO CCC[C@](C)(O)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178669040 978604558 /nfs/dbraw/zinc/60/45/58/978604558.db2.gz AWIKRNVMBBHCRQ-LBPRGKRZSA-N 1 2 239.319 1.139 20 0 BDADLO CCC[C@](C)(O)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178669040 978604562 /nfs/dbraw/zinc/60/45/62/978604562.db2.gz AWIKRNVMBBHCRQ-LBPRGKRZSA-N 1 2 239.319 1.139 20 0 BDADLO CCC[C@@H](O)CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178670216 978605097 /nfs/dbraw/zinc/60/50/97/978605097.db2.gz UUAHNZGXBXGJTC-SNVBAGLBSA-N 1 2 239.319 1.139 20 0 BDADLO CCC[C@@H](O)CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178670216 978605100 /nfs/dbraw/zinc/60/51/00/978605100.db2.gz UUAHNZGXBXGJTC-SNVBAGLBSA-N 1 2 239.319 1.139 20 0 BDADLO Clc1cncc(CN2CCn3c[nH+]cc3C2)n1 ZINC001233449880 978605335 /nfs/dbraw/zinc/60/53/35/978605335.db2.gz WQYHFGDHRKXUPI-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO C[C@]12CN(c3cc(N)nc[nH+]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001338116086 978615705 /nfs/dbraw/zinc/61/57/05/978615705.db2.gz SORWGGKZHPBUAY-BBGACYKPSA-N 1 2 242.326 1.707 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCOC[C@H]1C ZINC001338239769 978638703 /nfs/dbraw/zinc/63/87/03/978638703.db2.gz ANANXNWHMPXSDM-VXGBXAGGSA-N 1 2 248.326 1.731 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCS1 ZINC001338243560 978641512 /nfs/dbraw/zinc/64/15/12/978641512.db2.gz QPYQACKHZIDZHD-JTQLQIEISA-N 1 2 236.340 1.954 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC001178927291 978642471 /nfs/dbraw/zinc/64/24/71/978642471.db2.gz SFFVDBREGKKPCV-JTQLQIEISA-N 1 2 247.346 1.567 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3c2cccc3F)C1 ZINC001233611828 978647884 /nfs/dbraw/zinc/64/78/84/978647884.db2.gz LSVXAVVBUCTYFJ-UHFFFAOYSA-N 1 2 235.262 1.785 20 0 BDADLO Cc1nc([C@@H](C)NCc2c(C)cc[nH+]c2N)no1 ZINC001338273230 978649578 /nfs/dbraw/zinc/64/95/78/978649578.db2.gz FKRWINLMUHBIDH-MRVPVSSYSA-N 1 2 247.302 1.514 20 0 BDADLO CC[C@@H](F)C(=O)Nc1cc(C)[nH+]cc1C ZINC001338281710 978651951 /nfs/dbraw/zinc/65/19/51/978651951.db2.gz XSHGNKDKAWPKOR-SECBINFHSA-N 1 2 210.252 1.807 20 0 BDADLO Cc1[nH]c(C[NH2+][C@](C)(CCF)C(=O)[O-])c(C)[nH+]1 ZINC001600691120 978719573 /nfs/dbraw/zinc/71/95/73/978719573.db2.gz BPVMQXBTGZWPLQ-LLVKDONJSA-N 1 2 243.282 1.319 20 0 BDADLO C[N@H+](CCF)Cc1ccc2c(n1)OCCO2 ZINC001233905491 978728113 /nfs/dbraw/zinc/72/81/13/978728113.db2.gz VZAATNYOGORBSN-UHFFFAOYSA-N 1 2 226.251 1.254 20 0 BDADLO C[N@@H+](CCF)Cc1ccc2c(n1)OCCO2 ZINC001233905491 978728119 /nfs/dbraw/zinc/72/81/19/978728119.db2.gz VZAATNYOGORBSN-UHFFFAOYSA-N 1 2 226.251 1.254 20 0 BDADLO CCc1cc(O)ccc1OC1C[NH+](C)C1 ZINC001234102231 978775756 /nfs/dbraw/zinc/77/57/56/978775756.db2.gz LNFYKEGXNIOACX-UHFFFAOYSA-N 1 2 207.273 1.647 20 0 BDADLO Cc1cccc(CCC(=O)NC2C[NH+](C)C2)c1 ZINC001180168067 978837865 /nfs/dbraw/zinc/83/78/65/978837865.db2.gz OZIHRXSADBRNNG-UHFFFAOYSA-N 1 2 232.327 1.358 20 0 BDADLO CCOC(=[NH2+])c1ccc(OC2CN(C)C2)cc1 ZINC001234586465 978864983 /nfs/dbraw/zinc/86/49/83/978864983.db2.gz VKTYUQDPCKBOTP-UHFFFAOYSA-N 1 2 234.299 1.741 20 0 BDADLO O=C([O-])CC1CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC001601947065 978871158 /nfs/dbraw/zinc/87/11/58/978871158.db2.gz RZLYKQMYFIATKN-UHFFFAOYSA-N 1 2 237.303 1.116 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001339633150 978883531 /nfs/dbraw/zinc/88/35/31/978883531.db2.gz GNRMCPVECFZGCB-IJLUTSLNSA-N 1 2 235.331 1.997 20 0 BDADLO CCc1ccc(N2CC[C@]3(CNC(=O)C3)C2)[nH+]c1 ZINC001339692705 978894865 /nfs/dbraw/zinc/89/48/65/978894865.db2.gz VXGOZEHMBJRUDG-AWEZNQCLSA-N 1 2 245.326 1.360 20 0 BDADLO Nc1cc(N2CC[C@@H]3CSC[C@@H]3C2)[nH+]cn1 ZINC001339798365 978918045 /nfs/dbraw/zinc/91/80/45/978918045.db2.gz GWKNIAFJROPRED-BDAKNGLRSA-N 1 2 236.344 1.248 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nc2c(o1)CCCC2 ZINC001180589295 978920165 /nfs/dbraw/zinc/92/01/65/978920165.db2.gz MLRLXKWODQHJEE-UHFFFAOYSA-N 1 2 246.270 1.458 20 0 BDADLO CC(=O)n1ncc2cc(OC3C[NH+](C)C3)ccc21 ZINC001234868968 978921237 /nfs/dbraw/zinc/92/12/37/978921237.db2.gz UEYSZJGOTNYMQZ-UHFFFAOYSA-N 1 2 245.282 1.389 20 0 BDADLO CC(=O)c1ccsc1NC(=O)[C@H](C)[NH+](C)C ZINC001180858934 978955473 /nfs/dbraw/zinc/95/54/73/978955473.db2.gz STZIJOXLDDMDBG-ZETCQYMHSA-N 1 2 240.328 1.839 20 0 BDADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1COC1 ZINC001181002869 978977537 /nfs/dbraw/zinc/97/75/37/978977537.db2.gz FDXJYBRVCPTCMN-UHFFFAOYSA-N 1 2 243.266 1.457 20 0 BDADLO C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1(C)C ZINC001340309147 979009173 /nfs/dbraw/zinc/00/91/73/979009173.db2.gz QQADQXWUWFRFJQ-BDAKNGLRSA-N 1 2 248.317 1.864 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001235342745 979031791 /nfs/dbraw/zinc/03/17/91/979031791.db2.gz KHHKPCKJLVUQMH-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001235342745 979031797 /nfs/dbraw/zinc/03/17/97/979031797.db2.gz KHHKPCKJLVUQMH-ZDUSSCGKSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCC(F)(F)[C@@H](F)C1 ZINC001235539673 979076080 /nfs/dbraw/zinc/07/60/80/979076080.db2.gz YEUMEXUMGPJQML-JTQLQIEISA-N 1 2 247.264 1.908 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1c(C)ncn1C ZINC001235551854 979092688 /nfs/dbraw/zinc/09/26/88/979092688.db2.gz GBIAUOTVUZRJGF-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1c(C)ncn1C ZINC001235551854 979092697 /nfs/dbraw/zinc/09/26/97/979092697.db2.gz GBIAUOTVUZRJGF-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO OC1CC[NH+](Cc2nc3cc(F)ccc3[nH]2)CC1 ZINC001235681476 979116271 /nfs/dbraw/zinc/11/62/71/979116271.db2.gz MGTQOLGHPKLAHC-UHFFFAOYSA-N 1 2 249.289 1.659 20 0 BDADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(O)CC1 ZINC001181522587 979160828 /nfs/dbraw/zinc/16/08/28/979160828.db2.gz OJTBPTGRZSNCDK-UHFFFAOYSA-N 1 2 243.266 1.336 20 0 BDADLO [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc([S-])cc1)C2 ZINC001235986793 979269126 /nfs/dbraw/zinc/26/91/26/979269126.db2.gz FPTKAUDHGIFRCS-YPMHNXCESA-N 1 2 234.368 1.898 20 0 BDADLO [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001235986793 979269137 /nfs/dbraw/zinc/26/91/37/979269137.db2.gz FPTKAUDHGIFRCS-YPMHNXCESA-N 1 2 234.368 1.898 20 0 BDADLO [NH3+][C@]12C[C@H]1CN(Cc1ccc(S)cc1)C2 ZINC001236023104 979316938 /nfs/dbraw/zinc/31/69/38/979316938.db2.gz FZIBCAREZFYCGW-JQWIXIFHSA-N 1 2 220.341 1.508 20 0 BDADLO CC(C)(CNC(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC001341317388 979329984 /nfs/dbraw/zinc/32/99/84/979329984.db2.gz IVHBZFDHSFMIAN-QMMMGPOBSA-N 1 2 234.290 1.521 20 0 BDADLO CCC1(CC)C[C@@H]1C(=O)NC1C[NH+](C)C1 ZINC001181887007 979355221 /nfs/dbraw/zinc/35/52/21/979355221.db2.gz OVNFMILDMUGQCC-SNVBAGLBSA-N 1 2 210.321 1.243 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CCOC2)c(C)c[nH+]1 ZINC001341493232 979434890 /nfs/dbraw/zinc/43/48/90/979434890.db2.gz DIOPTSRSZAJBLW-NSHDSACASA-N 1 2 249.314 1.278 20 0 BDADLO C[N@H+](CCO)Cc1csc(-c2ccncc2)n1 ZINC001236258722 979474924 /nfs/dbraw/zinc/47/49/24/979474924.db2.gz GUXZREHPJHAEDV-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO C[N@@H+](CCO)Cc1csc(-c2ccncc2)n1 ZINC001236258722 979474926 /nfs/dbraw/zinc/47/49/26/979474926.db2.gz GUXZREHPJHAEDV-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnn(CC2OCCO2)c1 ZINC001236301804 979508953 /nfs/dbraw/zinc/50/89/53/979508953.db2.gz LLLHXTNQMDQHRZ-KABOMBJNSA-N 1 2 235.287 1.132 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182830279 979655955 /nfs/dbraw/zinc/65/59/55/979655955.db2.gz PSWULPQHHBVUGC-VIFPVBQESA-N 1 2 222.292 1.139 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182830279 979655964 /nfs/dbraw/zinc/65/59/64/979655964.db2.gz PSWULPQHHBVUGC-VIFPVBQESA-N 1 2 222.292 1.139 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236623122 979683444 /nfs/dbraw/zinc/68/34/44/979683444.db2.gz CKQJVRUHINQBMC-VIFPVBQESA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236623122 979683449 /nfs/dbraw/zinc/68/34/49/979683449.db2.gz CKQJVRUHINQBMC-VIFPVBQESA-N 1 2 239.706 1.541 20 0 BDADLO CCOc1cncc(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001236835816 979750877 /nfs/dbraw/zinc/75/08/77/979750877.db2.gz URKAZOKVRPNIRM-UHFFFAOYSA-N 1 2 248.326 1.437 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@@H]1C[C@H]1C(F)(F)F)C(F)F ZINC001342375625 979786913 /nfs/dbraw/zinc/78/69/13/979786913.db2.gz XJDPLZAMXVJUMJ-MROZADKFSA-N 1 2 246.179 1.036 20 0 BDADLO Cc1c(C[NH+]2CC(C(N)=O)C2)ccc(F)c1F ZINC001237162013 979823733 /nfs/dbraw/zinc/82/37/33/979823733.db2.gz NNYINALXTJKMQA-UHFFFAOYSA-N 1 2 240.253 1.190 20 0 BDADLO O=C1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237182248 979833007 /nfs/dbraw/zinc/83/30/07/979833007.db2.gz SFAXYICUUKOBKP-UHFFFAOYSA-N 1 2 211.286 1.733 20 0 BDADLO Cn1cc2c(n1)CC[N@@H+](CC1OC=CC1=S)C2 ZINC001237184994 979838474 /nfs/dbraw/zinc/83/84/74/979838474.db2.gz SIHWKKAQVNBJRW-UHFFFAOYSA-N 1 2 249.339 1.860 20 0 BDADLO Cn1cc2c(n1)CC[N@H+](CC1OC=CC1=S)C2 ZINC001237184994 979838482 /nfs/dbraw/zinc/83/84/82/979838482.db2.gz SIHWKKAQVNBJRW-UHFFFAOYSA-N 1 2 249.339 1.860 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCc2ncncc2C1 ZINC001237190035 979840163 /nfs/dbraw/zinc/84/01/63/979840163.db2.gz DXICAVCFGVCHDT-UHFFFAOYSA-N 1 2 247.323 1.917 20 0 BDADLO S=C1C=COC1C[N@H+]1CCc2ncncc2C1 ZINC001237190035 979840165 /nfs/dbraw/zinc/84/01/65/979840165.db2.gz DXICAVCFGVCHDT-UHFFFAOYSA-N 1 2 247.323 1.917 20 0 BDADLO CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001605275745 979848742 /nfs/dbraw/zinc/84/87/42/979848742.db2.gz BWXCGDFIABGKOO-NWDGAFQWSA-N 1 2 242.363 1.561 20 0 BDADLO CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001605275745 979848748 /nfs/dbraw/zinc/84/87/48/979848748.db2.gz BWXCGDFIABGKOO-NWDGAFQWSA-N 1 2 242.363 1.561 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)n[nH]1 ZINC001342708193 979872891 /nfs/dbraw/zinc/87/28/91/979872891.db2.gz DFXSCPLQKXBYPP-MNOVXSKESA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)n[nH]1 ZINC001342708193 979872898 /nfs/dbraw/zinc/87/28/98/979872898.db2.gz DFXSCPLQKXBYPP-MNOVXSKESA-N 1 2 223.320 1.311 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C2(C3CC3)CC2)[nH+]1 ZINC001183801160 979888591 /nfs/dbraw/zinc/88/85/91/979888591.db2.gz SOIZPIRJLBKCFJ-UHFFFAOYSA-N 1 2 233.315 1.567 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC001237439505 979891938 /nfs/dbraw/zinc/89/19/38/979891938.db2.gz WWUNHJWHWFQVPX-SNVBAGLBSA-N 1 2 238.262 1.412 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC001237439505 979891943 /nfs/dbraw/zinc/89/19/43/979891943.db2.gz WWUNHJWHWFQVPX-SNVBAGLBSA-N 1 2 238.262 1.412 20 0 BDADLO Nc1ccc(CCC(=O)N2C[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC001183931225 979903785 /nfs/dbraw/zinc/90/37/85/979903785.db2.gz BJFVDAYYWDDZPV-PHIMTYICSA-N 1 2 231.299 1.075 20 0 BDADLO CC(C)(NC(=O)CCc1ccc(N)[nH+]c1)C1CC1 ZINC001183934226 979904178 /nfs/dbraw/zinc/90/41/78/979904178.db2.gz HBXZVPWGZBUDQK-UHFFFAOYSA-N 1 2 247.342 1.901 20 0 BDADLO CC(F)(F)CNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183929935 979908326 /nfs/dbraw/zinc/90/83/26/979908326.db2.gz VWIPHOVEUYKZJK-UHFFFAOYSA-N 1 2 243.257 1.368 20 0 BDADLO Cc1nc[nH]c1C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC001342874525 979925761 /nfs/dbraw/zinc/92/57/61/979925761.db2.gz PCONGWWRLJCVAT-QMMMGPOBSA-N 1 2 248.286 1.469 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cncs1 ZINC001237591876 979948973 /nfs/dbraw/zinc/94/89/73/979948973.db2.gz ACBKCJLFEXZSGZ-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H](c3ccccc3)C2)[nH]1 ZINC001237598255 979953311 /nfs/dbraw/zinc/95/33/11/979953311.db2.gz BILYEOMLFBEZEY-LBPRGKRZSA-N 1 2 228.299 1.794 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H](c3ccccc3)C2)[nH]1 ZINC001237598255 979953319 /nfs/dbraw/zinc/95/33/19/979953319.db2.gz BILYEOMLFBEZEY-LBPRGKRZSA-N 1 2 228.299 1.794 20 0 BDADLO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3nnc[nH]3)C[C@@H]21 ZINC001237603936 979968118 /nfs/dbraw/zinc/96/81/18/979968118.db2.gz GAGGWWSGUHVCTM-VWYCJHECSA-N 1 2 236.319 1.052 20 0 BDADLO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3nnc[nH]3)C[C@@H]21 ZINC001237603936 979968125 /nfs/dbraw/zinc/96/81/25/979968125.db2.gz GAGGWWSGUHVCTM-VWYCJHECSA-N 1 2 236.319 1.052 20 0 BDADLO CC[C@@](C)(O)CC(=O)Nc1cccc2[nH+]ccn21 ZINC001184255284 979984736 /nfs/dbraw/zinc/98/47/36/979984736.db2.gz DIHXINVHEPRFMC-CYBMUJFWSA-N 1 2 247.298 1.824 20 0 BDADLO Cc1coc(C[NH+]2CCC3(CC2)OCCO3)n1 ZINC001237636881 979990386 /nfs/dbraw/zinc/99/03/86/979990386.db2.gz DBJXTXVBNVUQOQ-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001237651418 980006481 /nfs/dbraw/zinc/00/64/81/980006481.db2.gz LIEJWCBXTAYWBC-GXSJLCMTSA-N 1 2 227.283 1.141 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001237651418 980006492 /nfs/dbraw/zinc/00/64/92/980006492.db2.gz LIEJWCBXTAYWBC-GXSJLCMTSA-N 1 2 227.283 1.141 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC001237658756 980023738 /nfs/dbraw/zinc/02/37/38/980023738.db2.gz KXXMQLLCBQEZSJ-LLVKDONJSA-N 1 2 235.331 1.773 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC001237658756 980023751 /nfs/dbraw/zinc/02/37/51/980023751.db2.gz KXXMQLLCBQEZSJ-LLVKDONJSA-N 1 2 235.331 1.773 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](CC)C1COC1 ZINC001237659954 980023843 /nfs/dbraw/zinc/02/38/43/980023843.db2.gz SHOYXIIBHPXEPC-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO CCc1n[nH]cc1C[N@H+](CC)C1COC1 ZINC001237659954 980023853 /nfs/dbraw/zinc/02/38/53/980023853.db2.gz SHOYXIIBHPXEPC-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cccc2c1OCC2 ZINC001237744319 980042470 /nfs/dbraw/zinc/04/24/70/980042470.db2.gz CHBKDYHRSJJWHQ-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cccc2c1OCC2 ZINC001237744319 980042480 /nfs/dbraw/zinc/04/24/80/980042480.db2.gz CHBKDYHRSJJWHQ-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)nc1 ZINC001237802843 980050438 /nfs/dbraw/zinc/05/04/38/980050438.db2.gz HFPNEAMKTRMGAP-STQMWFEESA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)nc1 ZINC001237802843 980050446 /nfs/dbraw/zinc/05/04/46/980050446.db2.gz HFPNEAMKTRMGAP-STQMWFEESA-N 1 2 247.342 1.786 20 0 BDADLO C[C@@]1(C(=O)Nc2cc[nH+]c3c2CCC3)CCOC1 ZINC001184371929 980070164 /nfs/dbraw/zinc/07/01/64/980070164.db2.gz UWSVKNHUKJIEIX-CQSZACIVSA-N 1 2 246.310 1.357 20 0 BDADLO CC1(C[NH2+]Cc2nc(C(F)(F)F)n[nH]2)CC1 ZINC001184448796 980073747 /nfs/dbraw/zinc/07/37/47/980073747.db2.gz CGTJDHGORVXFBK-UHFFFAOYSA-N 1 2 234.225 1.713 20 0 BDADLO CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C1C[NH+](C)C1 ZINC001184506973 980100869 /nfs/dbraw/zinc/10/08/69/980100869.db2.gz CPAGANJAXYDJNU-VXGBXAGGSA-N 1 2 238.375 1.975 20 0 BDADLO COC(=O)CC1C[NH+](Cc2occc2OC)C1 ZINC001237871826 980109245 /nfs/dbraw/zinc/10/92/45/980109245.db2.gz MYXMWYXYRWDSQM-UHFFFAOYSA-N 1 2 239.271 1.283 20 0 BDADLO Cc1ncncc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001238171689 980201879 /nfs/dbraw/zinc/20/18/79/980201879.db2.gz BVBDOEMWABTNJN-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncncc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001238171689 980201884 /nfs/dbraw/zinc/20/18/84/980201884.db2.gz BVBDOEMWABTNJN-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCOCC12CCC2 ZINC001238171869 980209473 /nfs/dbraw/zinc/20/94/73/980209473.db2.gz BODMNVIJPNJDRJ-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1ncncc1C[N@H+]1CCOCC12CCC2 ZINC001238171869 980209479 /nfs/dbraw/zinc/20/94/79/980209479.db2.gz BODMNVIJPNJDRJ-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001238176437 980210129 /nfs/dbraw/zinc/21/01/29/980210129.db2.gz WUUBYMRVILSTFV-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1ncncc1C[N@H+]1CCCC2(C1)OCCO2 ZINC001238176437 980210134 /nfs/dbraw/zinc/21/01/34/980210134.db2.gz WUUBYMRVILSTFV-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cncc(C2CC2)c1 ZINC001238181002 980212484 /nfs/dbraw/zinc/21/24/84/980212484.db2.gz AYMWQYAEUZJJHI-UHFFFAOYSA-N 1 2 247.342 1.527 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cncc(C2CC2)c1 ZINC001238181002 980212492 /nfs/dbraw/zinc/21/24/92/980212492.db2.gz AYMWQYAEUZJJHI-UHFFFAOYSA-N 1 2 247.342 1.527 20 0 BDADLO COCCCC(=O)OCCCc1c[nH+]cn1C ZINC001343720518 980218201 /nfs/dbraw/zinc/21/82/01/980218201.db2.gz ZKIKMZFHLHZGSV-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO O=C([O-])C1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001608569607 980234145 /nfs/dbraw/zinc/23/41/45/980234145.db2.gz ISAGRWXTDGNMQO-UHFFFAOYSA-N 1 2 249.314 1.385 20 0 BDADLO COc1ccc(C[NH+]2CC=CC2)c(F)c1O ZINC001238367174 980242904 /nfs/dbraw/zinc/24/29/04/980242904.db2.gz XGXJCPBEMITMPK-UHFFFAOYSA-N 1 2 223.247 1.912 20 0 BDADLO COc1cc(C[NH+]2CCSCC2)cnc1F ZINC001238457535 980272455 /nfs/dbraw/zinc/27/24/55/980272455.db2.gz PKPFNPTUVOBVDG-UHFFFAOYSA-N 1 2 242.319 1.778 20 0 BDADLO CC(C)(COC(=O)COC(F)F)n1cc[nH+]c1 ZINC001344110096 980348561 /nfs/dbraw/zinc/34/85/61/980348561.db2.gz MHTQJYGJLWPXDG-UHFFFAOYSA-N 1 2 248.229 1.401 20 0 BDADLO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001344333618 980371429 /nfs/dbraw/zinc/37/14/29/980371429.db2.gz DAOJMGRKXCMENZ-GWCFXTLKSA-N 1 2 243.347 1.731 20 0 BDADLO C[NH+]1CC(NC(=O)NCC2CCCCC2)C1 ZINC001186887160 980449862 /nfs/dbraw/zinc/44/98/62/980449862.db2.gz QBLNLQHIKFUTAH-UHFFFAOYSA-N 1 2 225.336 1.180 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnc(C(N)=O)cn2)c1 ZINC001203655861 980494648 /nfs/dbraw/zinc/49/46/48/980494648.db2.gz DXKLVDMLNHBEJW-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO CC(=O)CCC(=O)OCCCc1c[nH+]cn1C ZINC001344916345 980499501 /nfs/dbraw/zinc/49/95/01/980499501.db2.gz ILPOZKJVZLCIAP-UHFFFAOYSA-N 1 2 238.287 1.265 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@H]1F ZINC001345070808 980540748 /nfs/dbraw/zinc/54/07/48/980540748.db2.gz DVKALOJWXCUHIU-NXEZZACHSA-N 1 2 234.230 1.736 20 0 BDADLO CCc1[nH]c(CNc2cnccn2)c[nH+]1 ZINC001187739925 980545605 /nfs/dbraw/zinc/54/56/05/980545605.db2.gz OVZFRLKTMLJRIQ-UHFFFAOYSA-N 1 2 203.249 1.374 20 0 BDADLO CCc1[nH]cc(CNc2cnccn2)[nH+]1 ZINC001187739925 980545608 /nfs/dbraw/zinc/54/56/08/980545608.db2.gz OVZFRLKTMLJRIQ-UHFFFAOYSA-N 1 2 203.249 1.374 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2ccc[nH]2)[nH+]1 ZINC001188578576 980672025 /nfs/dbraw/zinc/67/20/25/980672025.db2.gz OJOZWAXKYOEKNM-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2ccnc(C)c2)[nH+]1 ZINC001188790548 980708146 /nfs/dbraw/zinc/70/81/46/980708146.db2.gz CAYFJBPLLPMWFG-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO NC(=O)c1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001239553209 980730374 /nfs/dbraw/zinc/73/03/74/980730374.db2.gz XHVXQIIVYVRAMZ-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO COc1cnccc1CCn1cc[nH+]c1 ZINC001250318913 980755965 /nfs/dbraw/zinc/75/59/65/980755965.db2.gz MCICFWNUGVNXCD-UHFFFAOYSA-N 1 2 203.245 1.529 20 0 BDADLO NC(=O)c1ccccc1CCn1cc[nH+]c1 ZINC001250315571 980757168 /nfs/dbraw/zinc/75/71/68/980757168.db2.gz PNCGEQCTHIWNJN-UHFFFAOYSA-N 1 2 215.256 1.225 20 0 BDADLO COc1ncc(-c2cccc3[nH+]ccn32)cc1N ZINC001239636309 980823141 /nfs/dbraw/zinc/82/31/41/980823141.db2.gz AZIOVEZEAAUHGP-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO CC[C@@H](F)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001346610391 980870486 /nfs/dbraw/zinc/87/04/86/980870486.db2.gz ZOZMBEXGPWWULY-SECBINFHSA-N 1 2 228.267 1.910 20 0 BDADLO CCCCNC(=O)NCCOc1cc[nH+]cc1 ZINC001190646940 980903540 /nfs/dbraw/zinc/90/35/40/980903540.db2.gz JQHXXFKZCUPSPY-UHFFFAOYSA-N 1 2 237.303 1.560 20 0 BDADLO FC(F)Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001250390841 980909233 /nfs/dbraw/zinc/90/92/33/980909233.db2.gz JCZWNVWCXNXRPT-UHFFFAOYSA-N 1 2 228.242 1.726 20 0 BDADLO c1coc([C@H]2CC[N@@H+](Cc3nnc[nH]3)C2)c1 ZINC001347098634 980969275 /nfs/dbraw/zinc/96/92/75/980969275.db2.gz PFVLNQGZKXOTTF-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@H]2CC[N@H+](Cc3nnc[nH]3)C2)c1 ZINC001347098634 980969278 /nfs/dbraw/zinc/96/92/78/980969278.db2.gz PFVLNQGZKXOTTF-VIFPVBQESA-N 1 2 218.260 1.387 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC(CC2CC2)C1 ZINC001347124964 980981400 /nfs/dbraw/zinc/98/14/00/980981400.db2.gz YULVXXKSGACFFJ-UHFFFAOYSA-N 1 2 247.342 1.611 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001347126878 980982072 /nfs/dbraw/zinc/98/20/72/980982072.db2.gz UMRFKCLGJZHTEX-NXEZZACHSA-N 1 2 221.304 1.220 20 0 BDADLO Cc1c[nH]c(C(=O)NCCc2[nH+]ccn2C)c1C ZINC001191168696 980986834 /nfs/dbraw/zinc/98/68/34/980986834.db2.gz RWPHSHQZTNRQML-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCC[C@H](F)C1 ZINC001347231723 981017576 /nfs/dbraw/zinc/01/75/76/981017576.db2.gz UCNIAHISUXXVSG-UWVGGRQHSA-N 1 2 240.278 1.992 20 0 BDADLO Cc1cc(C)c(C(=O)NCCc2[nH+]ccn2C)o1 ZINC001347329380 981047976 /nfs/dbraw/zinc/04/79/76/981047976.db2.gz LSZHIWJDPIEPPU-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO CC/C=C(/F)C(=O)NCCc1[nH+]ccn1C ZINC001347347119 981053164 /nfs/dbraw/zinc/05/31/64/981053164.db2.gz ZSFFLZIQUHZYCX-RUDMXATFSA-N 1 2 225.267 1.342 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)C1CCC1 ZINC001347357201 981055466 /nfs/dbraw/zinc/05/54/66/981055466.db2.gz JMWRDBSPCJBGSC-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C=C1CCCC1 ZINC001347514966 981106488 /nfs/dbraw/zinc/10/64/88/981106488.db2.gz RRBNWWMSIXGLNZ-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO Nc1[nH+]cccc1-c1cnn(C2CCOCC2)c1 ZINC001240079760 981110646 /nfs/dbraw/zinc/11/06/46/981110646.db2.gz WALQDSUGZHEICI-UHFFFAOYSA-N 1 2 244.298 1.879 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnn(CC(C)(C)O)c1 ZINC001240190719 981152489 /nfs/dbraw/zinc/15/24/89/981152489.db2.gz OAGJMWUFZYIIKT-GQYICFGZSA-N 1 2 221.304 1.530 20 0 BDADLO CCN(C(=O)c1cc(C)n(C)c1C)C1C[NH+](C)C1 ZINC001192437171 981158954 /nfs/dbraw/zinc/15/89/54/981158954.db2.gz JVLZLTYGRIGSEI-UHFFFAOYSA-N 1 2 249.358 1.418 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn(C)cc3C2)o1 ZINC001203293820 981159541 /nfs/dbraw/zinc/15/95/41/981159541.db2.gz FKKJNQQPRPCGCY-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn(C)cc3C2)o1 ZINC001203293820 981159549 /nfs/dbraw/zinc/15/95/49/981159549.db2.gz FKKJNQQPRPCGCY-UHFFFAOYSA-N 1 2 231.299 1.880 20 0 BDADLO Fc1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240214356 981161894 /nfs/dbraw/zinc/16/18/94/981161894.db2.gz MSPGLCJZEIOPTB-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO Cn1cc(-c2ccc3[nH+]ccn3c2)ncc1=O ZINC001240217915 981166752 /nfs/dbraw/zinc/16/67/52/981166752.db2.gz QPCYLQFMRMVWEC-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO c1cn2cc(-c3cnc4ncnn4c3)ccc2[nH+]1 ZINC001240219854 981169358 /nfs/dbraw/zinc/16/93/58/981169358.db2.gz XQKQVVPYNLTDBO-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](F)C1 ZINC001347799123 981180535 /nfs/dbraw/zinc/18/05/35/981180535.db2.gz VIYSKJWMKQGOIC-JTQLQIEISA-N 1 2 239.294 1.313 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnn(C)c1 ZINC001240295193 981242822 /nfs/dbraw/zinc/24/28/22/981242822.db2.gz LQDBNFCGTBMKFQ-UHFFFAOYSA-N 1 2 216.288 1.857 20 0 BDADLO CCCCCNC(=O)NCCc1[nH+]ccn1C ZINC001193368449 981304673 /nfs/dbraw/zinc/30/46/73/981304673.db2.gz JUBRNEWYJNKXEN-UHFFFAOYSA-N 1 2 238.335 1.452 20 0 BDADLO Cc1[nH]c(CNc2ncncc2C)[nH+]c1C ZINC001348312259 981331869 /nfs/dbraw/zinc/33/18/69/981331869.db2.gz PWXIYLFZKKODJK-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc(N2CCOCC2)nc1 ZINC001240483394 981409402 /nfs/dbraw/zinc/40/94/02/981409402.db2.gz NCOBCNBGBCXZSH-UGHVFFQZSA-N 1 2 246.314 1.189 20 0 BDADLO Nc1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240504471 981431435 /nfs/dbraw/zinc/43/14/35/981431435.db2.gz PSMMUNPNFFFVQD-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cn1cc(-c2ccn3cc[nH+]c3c2)cc(F)c1=O ZINC001240513425 981439339 /nfs/dbraw/zinc/43/93/39/981439339.db2.gz RHLQWRHCSLCFGJ-UHFFFAOYSA-N 1 2 243.241 1.839 20 0 BDADLO CC(C)[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC001348809129 981448064 /nfs/dbraw/zinc/44/80/64/981448064.db2.gz FRJTUCVLMILKAS-JTQLQIEISA-N 1 2 210.277 1.003 20 0 BDADLO CNC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001240566550 981482672 /nfs/dbraw/zinc/48/26/72/981482672.db2.gz DOARCBSQEOGXEA-UHFFFAOYSA-N 1 2 227.267 1.690 20 0 BDADLO COCCn1cc(/C(C)=C/C=C/[NH3+])cn1 ZINC001240629596 981521766 /nfs/dbraw/zinc/52/17/66/981521766.db2.gz BBJQEEJMUVJYQS-OXWOXFIQSA-N 1 2 207.277 1.405 20 0 BDADLO C[C@H](O)c1ncc(C[NH2+]Cc2ccno2)s1 ZINC001349409919 981540382 /nfs/dbraw/zinc/54/03/82/981540382.db2.gz IYOBUSAXYDCSPX-ZETCQYMHSA-N 1 2 239.300 1.474 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)[nH]n1 ZINC001349409783 981550874 /nfs/dbraw/zinc/55/08/74/981550874.db2.gz FQYGOUMLGKMWEY-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)[nH]n1 ZINC001349409783 981550883 /nfs/dbraw/zinc/55/08/83/981550883.db2.gz FQYGOUMLGKMWEY-NSHDSACASA-N 1 2 235.331 1.862 20 0 BDADLO C[C@@H](CC(=O)OC[C@@H]1CCO1)n1cc[nH+]c1 ZINC001349639223 981592407 /nfs/dbraw/zinc/59/24/07/981592407.db2.gz DLBZXECBEUQWNW-UWVGGRQHSA-N 1 2 224.260 1.166 20 0 BDADLO O=C1CCN1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC001349937780 981821971 /nfs/dbraw/zinc/82/19/71/981821971.db2.gz BIUYPHUJZCCBLZ-SECBINFHSA-N 1 2 237.328 1.122 20 0 BDADLO O=C1CCN1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC001349937780 981821975 /nfs/dbraw/zinc/82/19/75/981821975.db2.gz BIUYPHUJZCCBLZ-SECBINFHSA-N 1 2 237.328 1.122 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cncc(F)c1 ZINC001584252413 981862551 /nfs/dbraw/zinc/86/25/51/981862551.db2.gz XTJPTVSQBVSGJQ-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO Cn1ccc2cc(-c3c[nH+]cn3C)cnc21 ZINC001240836103 981879914 /nfs/dbraw/zinc/87/99/14/981879914.db2.gz WMFBRHFQQMILBP-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO COC(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001194803169 981906560 /nfs/dbraw/zinc/90/65/60/981906560.db2.gz UYTLMOXAPRVZGC-VIFPVBQESA-N 1 2 223.276 1.930 20 0 BDADLO Cc1cc(-c2cnn3cccnc23)c[nH+]c1N ZINC001240932088 982003886 /nfs/dbraw/zinc/00/38/86/982003886.db2.gz TXTYMTKAFDOUDO-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1c1ncc[nH]1 ZINC001350587976 982012640 /nfs/dbraw/zinc/01/26/40/982012640.db2.gz DWKGAZXJXJJOSU-SNVBAGLBSA-N 1 2 245.286 1.039 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C(C)C)C1 ZINC001587964078 982104389 /nfs/dbraw/zinc/10/43/89/982104389.db2.gz PJJANRDLAFCDAL-NSHDSACASA-N 1 2 235.331 1.765 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCc1ccsc1 ZINC001350978247 982143635 /nfs/dbraw/zinc/14/36/35/982143635.db2.gz DLAUCUAZGZKBGU-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CNc1cc(CNC(=O)NC2CC=CC2)cc[nH+]1 ZINC001351080925 982198920 /nfs/dbraw/zinc/19/89/20/982198920.db2.gz OXDAXXWCEDZTDE-UHFFFAOYSA-N 1 2 246.314 1.641 20 0 BDADLO NC(=O)Nc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241161889 982296742 /nfs/dbraw/zinc/29/67/42/982296742.db2.gz ARJGOFIBTUHASU-UHFFFAOYSA-N 1 2 228.255 1.821 20 0 BDADLO Nc1cc(-c2cnc3nccn3c2)cc[nH+]1 ZINC001241162893 982303542 /nfs/dbraw/zinc/30/35/42/982303542.db2.gz OUPKYGLUXVVWBE-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO CNC(=O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241170052 982310089 /nfs/dbraw/zinc/31/00/89/982310089.db2.gz CJQBZPUOYNTIDS-UHFFFAOYSA-N 1 2 228.255 1.085 20 0 BDADLO COC(=O)Cc1ccncc1-c1cc[nH+]c(N)c1 ZINC001241170045 982312218 /nfs/dbraw/zinc/31/22/18/982312218.db2.gz UTNGZAHCIWNTLS-UHFFFAOYSA-N 1 2 243.266 1.441 20 0 BDADLO Cc1cc(-c2cc[nH+]c(N)c2)cc(=O)o1 ZINC001241169951 982313192 /nfs/dbraw/zinc/31/31/92/982313192.db2.gz SCZBZBFGVPHPFI-UHFFFAOYSA-N 1 2 202.213 1.592 20 0 BDADLO CCN(CC)c1ncc(-c2cc[nH+]c(N)c2)cn1 ZINC001241170166 982313268 /nfs/dbraw/zinc/31/32/68/982313268.db2.gz VQKXFUZJPGWOAL-UHFFFAOYSA-N 1 2 243.314 1.967 20 0 BDADLO CN1c2cc(-c3cc[nH+]c(N)c3)ccc2CC1=O ZINC001241170387 982320570 /nfs/dbraw/zinc/32/05/70/982320570.db2.gz LSKVIMIUVSREII-UHFFFAOYSA-N 1 2 239.278 1.850 20 0 BDADLO COc1nccc(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001241227874 982377459 /nfs/dbraw/zinc/37/74/59/982377459.db2.gz FHXZZWWSCDAUGO-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO CCC[C@H](O)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001351799650 982391355 /nfs/dbraw/zinc/39/13/55/982391355.db2.gz CDJWDQFGBZAANK-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO CCc1cc(N2CC[C@@H](O)C2(C)C)nc(CC)[nH+]1 ZINC001352065591 982450765 /nfs/dbraw/zinc/45/07/65/982450765.db2.gz VQIPEEQKNQZADV-LLVKDONJSA-N 1 2 249.358 1.951 20 0 BDADLO CN(C(=O)CCc1[nH+]ccn1C)C1CC(C)(C)C1 ZINC001352281474 982506678 /nfs/dbraw/zinc/50/66/78/982506678.db2.gz LNPKDFXQRODPFJ-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2ncccn2)O1 ZINC001197303697 982548324 /nfs/dbraw/zinc/54/83/24/982548324.db2.gz FHRBVFUEBAQDBK-WDEREUQCSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2ncccn2)O1 ZINC001197303697 982548332 /nfs/dbraw/zinc/54/83/32/982548332.db2.gz FHRBVFUEBAQDBK-WDEREUQCSA-N 1 2 221.304 1.476 20 0 BDADLO Cc1cc(-c2cnc3n[nH]cc3c2)c[nH+]c1N ZINC001241425412 982576355 /nfs/dbraw/zinc/57/63/55/982576355.db2.gz RUFCRHFLLMZSCW-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO C[NH+]1CC(NC(=S)Nc2cccc(F)c2)C1 ZINC001197651449 982577621 /nfs/dbraw/zinc/57/76/21/982577621.db2.gz GZNVTLUSKBBSAU-UHFFFAOYSA-N 1 2 239.319 1.426 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cccc2C(=O)[O-])CC[NH2+]1 ZINC001589291437 982701399 /nfs/dbraw/zinc/70/13/99/982701399.db2.gz IBVMSDJMYUWPKV-RKDXNWHRSA-N 1 2 235.287 1.332 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(N(C)C)nc2)on1 ZINC001200244842 982744081 /nfs/dbraw/zinc/74/40/81/982744081.db2.gz ZJQDBEISPKCFMS-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO O=C(CC[NH2+]CC(F)F)Nc1ccccc1 ZINC001353287094 982818076 /nfs/dbraw/zinc/81/80/76/982818076.db2.gz HTRWYFNUFMIDQM-UHFFFAOYSA-N 1 2 228.242 1.870 20 0 BDADLO Sc1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241602558 982842586 /nfs/dbraw/zinc/84/25/86/982842586.db2.gz HHTDXEUQESMAJF-UHFFFAOYSA-N 1 2 231.324 1.983 20 0 BDADLO Nc1n[nH]c2ccc(-c3ccc[nH+]c3N)cc12 ZINC001241721761 983003144 /nfs/dbraw/zinc/00/31/44/983003144.db2.gz CCONFWJDIRHPDD-UHFFFAOYSA-N 1 2 225.255 1.789 20 0 BDADLO C[C@H](C(=O)N(C)C[Si](C)(C)C)n1cc[nH+]c1 ZINC001354081523 983143579 /nfs/dbraw/zinc/14/35/79/983143579.db2.gz QVADJAKXRLABRN-SNVBAGLBSA-N 1 2 239.395 1.780 20 0 BDADLO Nc1ccc(Nc2ncccc2CCO)c[nH+]1 ZINC001201279992 983157615 /nfs/dbraw/zinc/15/76/15/983157615.db2.gz WWEMKWPKFZCRSS-UHFFFAOYSA-N 1 2 230.271 1.337 20 0 BDADLO Cc1nnc2ccc(Nc3ccc(N)[nH+]c3)cn12 ZINC001201279610 983158275 /nfs/dbraw/zinc/15/82/75/983158275.db2.gz RFBGVDJPMGUHEE-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO COc1cc(N)ccc1Nc1ccc(N)[nH+]c1 ZINC001201285456 983159937 /nfs/dbraw/zinc/15/99/37/983159937.db2.gz INDJSFLMDWDTPN-UHFFFAOYSA-N 1 2 230.271 1.998 20 0 BDADLO COc1nn(C)cc1Nc1ccc(N)[nH+]c1 ZINC001201272887 983177464 /nfs/dbraw/zinc/17/74/64/983177464.db2.gz VYPGPQBBPUQGLW-UHFFFAOYSA-N 1 2 219.248 1.150 20 0 BDADLO COc1cc(OC)c(Nc2ccc(N)[nH+]c2)cn1 ZINC001201278931 983178080 /nfs/dbraw/zinc/17/80/80/983178080.db2.gz JUQHLNLTTLSVTR-UHFFFAOYSA-N 1 2 246.270 1.820 20 0 BDADLO CCOC(=O)c1ccc(N)n1-c1ccc(N)[nH+]c1 ZINC001201278200 983178436 /nfs/dbraw/zinc/17/84/36/983178436.db2.gz FNJKFBAZGXYISH-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO CCOC1CC2(C1)CCN(c1cc(N)nc[nH+]1)C2 ZINC001354194871 983190045 /nfs/dbraw/zinc/19/00/45/983190045.db2.gz LRSOOCNXBBBSMJ-UHFFFAOYSA-N 1 2 248.330 1.454 20 0 BDADLO CON(C)C(=O)c1cc(-c2[nH]cc[nH+]2)ccc1F ZINC001242019454 983225875 /nfs/dbraw/zinc/22/58/75/983225875.db2.gz YGXHLTSTYYTHIE-UHFFFAOYSA-N 1 2 249.245 1.849 20 0 BDADLO Cc1c(-c2[nH]cc[nH+]2)ccc2c1NC(=O)CO2 ZINC001242020471 983227705 /nfs/dbraw/zinc/22/77/05/983227705.db2.gz XXCPJMKBXPHQBN-UHFFFAOYSA-N 1 2 229.239 1.716 20 0 BDADLO CNC(=S)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001200610628 983232703 /nfs/dbraw/zinc/23/27/03/983232703.db2.gz HKECJZIWKVQLCN-UHFFFAOYSA-N 1 2 232.312 1.789 20 0 BDADLO CNc1cc(-c2ccc(=O)[nH]c2)cc[nH+]1 ZINC001242065285 983288854 /nfs/dbraw/zinc/28/88/54/983288854.db2.gz JVJITYXDYRKWPW-UHFFFAOYSA-N 1 2 201.229 1.891 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncnc(C)c1F ZINC001242072312 983308407 /nfs/dbraw/zinc/30/84/07/983308407.db2.gz ITEIIPGYIHUECO-UHFFFAOYSA-N 1 2 218.235 1.877 20 0 BDADLO COc1cc(C)c(-c2c[nH+]c(N)cc2C)nn1 ZINC001242072931 983310695 /nfs/dbraw/zinc/31/06/95/983310695.db2.gz UVIBNYOCDMWPHZ-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO COc1ncc(-c2c[nH+]c(N)cc2C)nc1OC ZINC001242084969 983329788 /nfs/dbraw/zinc/32/97/88/983329788.db2.gz FDYLZVNZMXDUAG-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO CC[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001201587692 983352019 /nfs/dbraw/zinc/35/20/19/983352019.db2.gz VYBSBLHHCCGVQU-SECBINFHSA-N 1 2 214.309 1.905 20 0 BDADLO CC[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001201587692 983352028 /nfs/dbraw/zinc/35/20/28/983352028.db2.gz VYBSBLHHCCGVQU-SECBINFHSA-N 1 2 214.309 1.905 20 0 BDADLO CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001201646056 983397495 /nfs/dbraw/zinc/39/74/95/983397495.db2.gz QMZXCULCPQOOOE-UHFFFAOYSA-N 1 2 242.319 1.476 20 0 BDADLO CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001201646056 983397502 /nfs/dbraw/zinc/39/75/02/983397502.db2.gz QMZXCULCPQOOOE-UHFFFAOYSA-N 1 2 242.319 1.476 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@@H+]1CC1CC1 ZINC001201876021 983502144 /nfs/dbraw/zinc/50/21/44/983502144.db2.gz XBXDEPVIVWKELA-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@H+]1CC1CC1 ZINC001201876021 983502152 /nfs/dbraw/zinc/50/21/52/983502152.db2.gz XBXDEPVIVWKELA-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO COC(=O)CCC[NH+]1CC2(C1)CCCCO2 ZINC001202206701 983599524 /nfs/dbraw/zinc/59/95/24/983599524.db2.gz GNALCECKPMBBPJ-UHFFFAOYSA-N 1 2 227.304 1.195 20 0 BDADLO COC(=O)CCC[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001202207384 983600047 /nfs/dbraw/zinc/60/00/47/983600047.db2.gz SKJKPTGONJTDKU-MRVPVSSYSA-N 1 2 239.237 1.619 20 0 BDADLO CCCOC1C[NH+](CCCC(=O)OC)C1 ZINC001202227891 983602457 /nfs/dbraw/zinc/60/24/57/983602457.db2.gz ATPZUTOBAOILML-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](CC)C(=O)OC ZINC001252106270 983655483 /nfs/dbraw/zinc/65/54/83/983655483.db2.gz MMZSWLHQKJZJSW-NXEZZACHSA-N 1 2 217.309 1.079 20 0 BDADLO FC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC1(F)F ZINC001202465392 983675174 /nfs/dbraw/zinc/67/51/74/983675174.db2.gz RWFFMTRQVMJFQL-UWVGGRQHSA-N 1 2 237.265 1.950 20 0 BDADLO FC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC1(F)F ZINC001202465392 983675181 /nfs/dbraw/zinc/67/51/81/983675181.db2.gz RWFFMTRQVMJFQL-UWVGGRQHSA-N 1 2 237.265 1.950 20 0 BDADLO CC(C)(C)NC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001202473601 983699629 /nfs/dbraw/zinc/69/96/29/983699629.db2.gz ZVZONIOMNFFCQC-UHFFFAOYSA-N 1 2 233.315 1.912 20 0 BDADLO CC(C)(O)C[NH+]1CC(Oc2ccccc2F)C1 ZINC001252356919 983745163 /nfs/dbraw/zinc/74/51/63/983745163.db2.gz SWJWFAXHJSOTOE-UHFFFAOYSA-N 1 2 239.290 1.660 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccn(C)n2)cc1 ZINC001242459799 983776889 /nfs/dbraw/zinc/77/68/89/983776889.db2.gz KIJBFGXGUCYBIE-GFCCVEGCSA-N 1 2 245.282 1.260 20 0 BDADLO CCCCOC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001252500279 983801576 /nfs/dbraw/zinc/80/15/76/983801576.db2.gz BYWALFRFMRASCS-NSHDSACASA-N 1 2 239.319 1.375 20 0 BDADLO O[C@@H](CNc1cc[nH+]nc1)c1ccc(F)cc1 ZINC001252835677 983934162 /nfs/dbraw/zinc/93/41/62/983934162.db2.gz NIBDPGKKRNZOHU-LBPRGKRZSA-N 1 2 233.246 1.761 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC001137140370 983968307 /nfs/dbraw/zinc/96/83/07/983968307.db2.gz WWTOQDOPWPXRKJ-GZMMTYOYSA-N 1 2 249.314 1.340 20 0 BDADLO c1ncc2c(n1)C[N@H+](CCC1CCOCC1)C2 ZINC001202610838 984125073 /nfs/dbraw/zinc/12/50/73/984125073.db2.gz BMBZZINHAGQBCZ-UHFFFAOYSA-N 1 2 233.315 1.609 20 0 BDADLO c1ncc2c(n1)C[N@@H+](CCC1CCOCC1)C2 ZINC001202610838 984125075 /nfs/dbraw/zinc/12/50/75/984125075.db2.gz BMBZZINHAGQBCZ-UHFFFAOYSA-N 1 2 233.315 1.609 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CC1CCC1 ZINC001202706338 984158222 /nfs/dbraw/zinc/15/82/22/984158222.db2.gz RANLDSYLDSPWDC-ZJUUUORDSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CC1CCC1 ZINC001202706338 984158245 /nfs/dbraw/zinc/15/82/45/984158245.db2.gz RANLDSYLDSPWDC-ZJUUUORDSA-N 1 2 215.268 1.372 20 0 BDADLO CCCCC[C@H](O)C[NH2+]C(C)(C)C(=O)OC ZINC001253549043 984201068 /nfs/dbraw/zinc/20/10/68/984201068.db2.gz LCPZCVDNITXITG-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO c1cc(-c2cc(N3CCOCC3)cc[nH+]2)ncn1 ZINC001242917004 984288133 /nfs/dbraw/zinc/28/81/33/984288133.db2.gz YPRIRNXRFILZGM-UHFFFAOYSA-N 1 2 242.282 1.375 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CNC(=O)N2 ZINC001243069284 984487961 /nfs/dbraw/zinc/48/79/61/984487961.db2.gz FGMLDTPVSKYAGB-UHFFFAOYSA-N 1 2 228.255 1.722 20 0 BDADLO CCC[N@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001275108242 984488083 /nfs/dbraw/zinc/48/80/83/984488083.db2.gz NUTZQJWOWGDDJK-OKILXGFUSA-N 1 2 238.375 1.724 20 0 BDADLO CCC[N@@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001275108242 984488093 /nfs/dbraw/zinc/48/80/93/984488093.db2.gz NUTZQJWOWGDDJK-OKILXGFUSA-N 1 2 238.375 1.724 20 0 BDADLO CN(C)C(=O)c1cc(-c2c[nH+]cn2C)cnc1F ZINC001243070879 984497034 /nfs/dbraw/zinc/49/70/34/984497034.db2.gz AHNISQQAIXTASL-UHFFFAOYSA-N 1 2 248.261 1.323 20 0 BDADLO COc1cnccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001243074121 984508306 /nfs/dbraw/zinc/50/83/06/984508306.db2.gz AFKQDPRZVVMCFV-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@]2(C)CC2(F)F)c1 ZINC001275174596 984515004 /nfs/dbraw/zinc/51/50/04/984515004.db2.gz QVENBEBHAUXLOG-SNVBAGLBSA-N 1 2 243.257 1.124 20 0 BDADLO CC(=O)N[C@@H](C)C[N@H+](C)Cc1csc(C)n1 ZINC001275487769 984579609 /nfs/dbraw/zinc/57/96/09/984579609.db2.gz MIABMKVBSSOPQU-QMMMGPOBSA-N 1 2 241.360 1.408 20 0 BDADLO CC(=O)N[C@@H](C)C[N@@H+](C)Cc1csc(C)n1 ZINC001275487769 984579625 /nfs/dbraw/zinc/57/96/25/984579625.db2.gz MIABMKVBSSOPQU-QMMMGPOBSA-N 1 2 241.360 1.408 20 0 BDADLO COc1ccc(-c2ccc(N)[nH+]c2)c(CO)c1 ZINC001243248595 984800968 /nfs/dbraw/zinc/80/09/68/984800968.db2.gz LEKZAFSMTPKWHB-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H](F)C1 ZINC001449891754 984850041 /nfs/dbraw/zinc/85/00/41/984850041.db2.gz NHRQSURXXCECOQ-UWVGGRQHSA-N 1 2 237.278 1.016 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC001449967181 984851582 /nfs/dbraw/zinc/85/15/82/984851582.db2.gz GQPUUZHTZOXJOP-NSHDSACASA-N 1 2 245.257 1.377 20 0 BDADLO NC(=O)Nc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243472045 985016893 /nfs/dbraw/zinc/01/68/93/985016893.db2.gz AUUCUVJNUSYWLV-UHFFFAOYSA-N 1 2 228.255 1.821 20 0 BDADLO Cc1c(-c2ccc[nH+]c2N)cnc2nccnc12 ZINC001243473376 985021160 /nfs/dbraw/zinc/02/11/60/985021160.db2.gz AHPHHXDKHUJZHD-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO Cn1nnc2ccc(-c3ccc[nH+]c3N)cc21 ZINC001243475520 985027401 /nfs/dbraw/zinc/02/74/01/985027401.db2.gz KOFYWJMMJZWMTM-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)CNC(=O)C2 ZINC001243474974 985029754 /nfs/dbraw/zinc/02/97/54/985029754.db2.gz UYJLVFVANUQQBZ-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO Cc1cc(-c2ccc[nH+]c2N)c2ncnn2c1 ZINC001243474722 985030707 /nfs/dbraw/zinc/03/07/07/985030707.db2.gz POYUIRZYGMLSFQ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1CC(=O)N2 ZINC001243474584 985032418 /nfs/dbraw/zinc/03/24/18/985032418.db2.gz OFOIDGDBMHBIMA-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO NC(=O)Cc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243475033 985032635 /nfs/dbraw/zinc/03/26/35/985032635.db2.gz CHINBDRPEBNXKG-UHFFFAOYSA-N 1 2 227.267 1.359 20 0 BDADLO CC(C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454534911 985040337 /nfs/dbraw/zinc/04/03/37/985040337.db2.gz ULHGGVYMFCDQCB-UHFFFAOYSA-N 1 2 219.288 1.205 20 0 BDADLO Nc1ncccc1-c1cc[nH+]c2c1CCN2 ZINC001243478559 985044016 /nfs/dbraw/zinc/04/40/16/985044016.db2.gz ZPDQNIXIVFDXTG-UHFFFAOYSA-N 1 2 212.256 1.337 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc2ocnc21 ZINC001454635799 985045584 /nfs/dbraw/zinc/04/55/84/985045584.db2.gz AFHKGXZMAUQVTJ-UHFFFAOYSA-N 1 2 242.238 1.663 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000686081458 985067998 /nfs/dbraw/zinc/06/79/98/985067998.db2.gz UUDGYPWGIHTQJK-GHMZBOCLSA-N 1 2 246.314 1.832 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnc(N)cn1 ZINC000687983970 985444705 /nfs/dbraw/zinc/44/47/05/985444705.db2.gz WRDSRXIENDRPHM-LBPRGKRZSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cnc(N)cn1 ZINC000687983970 985444736 /nfs/dbraw/zinc/44/47/36/985444736.db2.gz WRDSRXIENDRPHM-LBPRGKRZSA-N 1 2 236.319 1.060 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(CCO)cc1 ZINC001243850001 985477057 /nfs/dbraw/zinc/47/70/57/985477057.db2.gz WAVSUPBHFLPVNX-UHFFFAOYSA-N 1 2 202.257 1.622 20 0 BDADLO COC(=O)c1ccc(OC)c(Cn2cc[nH+]c2)c1 ZINC001459683831 985583021 /nfs/dbraw/zinc/58/30/21/985583021.db2.gz IMTJTBGEGZOGHP-UHFFFAOYSA-N 1 2 246.266 1.727 20 0 BDADLO CCOC(=O)Cc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243949718 985642534 /nfs/dbraw/zinc/64/25/34/985642534.db2.gz QFDVUJGNRSVUHP-UHFFFAOYSA-N 1 2 247.298 1.307 20 0 BDADLO COC[C@H]([NH3+])C(=O)O[C@H]1CCCC(C)(C)C1 ZINC001579089917 985705482 /nfs/dbraw/zinc/70/54/82/985705482.db2.gz ALTOIZUQDQIBPC-UWVGGRQHSA-N 1 2 229.320 1.472 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC001460106678 985752374 /nfs/dbraw/zinc/75/23/74/985752374.db2.gz UMJRXACYSMVUGV-XPUUQOCRSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cnc(Cl)s1 ZINC001460106678 985752401 /nfs/dbraw/zinc/75/24/01/985752401.db2.gz UMJRXACYSMVUGV-XPUUQOCRSA-N 1 2 232.736 1.752 20 0 BDADLO CN(C(=O)c1cccc2[nH+]ccn21)c1ccon1 ZINC001461246583 986027371 /nfs/dbraw/zinc/02/73/71/986027371.db2.gz MLRUFWLQWQRBIJ-UHFFFAOYSA-N 1 2 242.238 1.599 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cccc(O)c2)[nH]1 ZINC001461403235 986058346 /nfs/dbraw/zinc/05/83/46/986058346.db2.gz YBYIHSAMPBMALL-VIFPVBQESA-N 1 2 246.314 1.924 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H](CC)C[C@H](C)CC ZINC001258778766 986165080 /nfs/dbraw/zinc/16/50/80/986165080.db2.gz KLSONHNHRPERPS-UTUOFQBUSA-N 1 2 245.363 1.715 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C1CCC1 ZINC001038008039 986250065 /nfs/dbraw/zinc/25/00/65/986250065.db2.gz WFAORPQAUPLTAJ-NWDGAFQWSA-N 1 2 242.338 1.725 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C1CCC1 ZINC001038008039 986250078 /nfs/dbraw/zinc/25/00/78/986250078.db2.gz WFAORPQAUPLTAJ-NWDGAFQWSA-N 1 2 242.338 1.725 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(O)c(CO)c1 ZINC001244777106 986343041 /nfs/dbraw/zinc/34/30/41/986343041.db2.gz WOVVRRBTRMUDKX-UHFFFAOYSA-N 1 2 204.229 1.285 20 0 BDADLO Cn1cc(CNc2ccc3c(c2)CC[NH2+]3)nn1 ZINC001579964854 986367903 /nfs/dbraw/zinc/36/79/03/986367903.db2.gz VKFKHEOKHVJWFP-UHFFFAOYSA-N 1 2 229.287 1.395 20 0 BDADLO Brc1c[nH]nc1C[NH2+][C@H]1C=CCC1 ZINC001462418499 986380818 /nfs/dbraw/zinc/38/08/18/986380818.db2.gz SLJXZPXSMLPLPM-ZETCQYMHSA-N 1 2 242.120 1.980 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000398286222 986478992 /nfs/dbraw/zinc/47/89/92/986478992.db2.gz BLXVCQMCZJDZLN-QMMMGPOBSA-N 1 2 247.258 1.564 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001261755274 986532421 /nfs/dbraw/zinc/53/24/21/986532421.db2.gz AAGVHNUNVTVSSI-CMPLNLGQSA-N 1 2 235.331 1.995 20 0 BDADLO C[C@@H](CC(=O)N(C)c1ccnn1C)n1cc[nH+]c1 ZINC001463506846 986547984 /nfs/dbraw/zinc/54/79/84/986547984.db2.gz DFEUSFVRWWDART-JTQLQIEISA-N 1 2 247.302 1.231 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@H](F)C1 ZINC000689415236 986589224 /nfs/dbraw/zinc/58/92/24/986589224.db2.gz SQJHHPISGPKXDN-OAQKJQOQSA-N 1 2 215.268 1.540 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@H](F)C1 ZINC000689415236 986589230 /nfs/dbraw/zinc/58/92/30/986589230.db2.gz SQJHHPISGPKXDN-OAQKJQOQSA-N 1 2 215.268 1.540 20 0 BDADLO CCc1ccc(N2C[C@@H](CO)OC[C@H]2C)[nH+]c1 ZINC001262687754 986596163 /nfs/dbraw/zinc/59/61/63/986596163.db2.gz WCNHSHBJZLLJBE-PWSUYJOCSA-N 1 2 236.315 1.230 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCc1cccc(F)c1 ZINC001464052056 986604540 /nfs/dbraw/zinc/60/45/40/986604540.db2.gz KWMMVDRGIHWRQV-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO CN(C(=O)Cc1c[nH]c[nH+]1)c1cccnc1 ZINC001464883858 986669134 /nfs/dbraw/zinc/66/91/34/986669134.db2.gz BISONCPXGGYYKE-UHFFFAOYSA-N 1 2 216.244 1.010 20 0 BDADLO CC(C)CNC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001245201618 986725086 /nfs/dbraw/zinc/72/50/86/986725086.db2.gz XDZXDUOKECXKFI-UHFFFAOYSA-N 1 2 249.383 1.935 20 0 BDADLO Cc1cc(C2=CCS(=O)(=O)CC2)c(C)c[nH+]1 ZINC001245212689 986733164 /nfs/dbraw/zinc/73/31/64/986733164.db2.gz TUSQFNCFQZCPIX-UHFFFAOYSA-N 1 2 237.324 1.900 20 0 BDADLO Cc1cc[nH+]c(C)c1C1=CCS(=O)(=O)CC1 ZINC001245211988 986734053 /nfs/dbraw/zinc/73/40/53/986734053.db2.gz OBURWOYCOVSQQF-UHFFFAOYSA-N 1 2 237.324 1.900 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(O)c1F ZINC001466117476 986770940 /nfs/dbraw/zinc/77/09/40/986770940.db2.gz MFQIKCGWLUVZIB-UHFFFAOYSA-N 1 2 249.245 1.826 20 0 BDADLO CC[C@@H](CSC)NC(=O)[C@H]1CC[N@@H+]1CC ZINC001466522057 986807821 /nfs/dbraw/zinc/80/78/21/986807821.db2.gz DWRKSILGABEACI-VHSXEESVSA-N 1 2 230.377 1.338 20 0 BDADLO CC[C@@H](CSC)NC(=O)[C@H]1CC[N@H+]1CC ZINC001466522057 986807824 /nfs/dbraw/zinc/80/78/24/986807824.db2.gz DWRKSILGABEACI-VHSXEESVSA-N 1 2 230.377 1.338 20 0 BDADLO CC[C@@H](CSC)NC(=O)[C@@H]1CC[N@@H+]1CC ZINC001466522056 986809542 /nfs/dbraw/zinc/80/95/42/986809542.db2.gz DWRKSILGABEACI-UWVGGRQHSA-N 1 2 230.377 1.338 20 0 BDADLO CC[C@@H](CSC)NC(=O)[C@@H]1CC[N@H+]1CC ZINC001466522056 986809550 /nfs/dbraw/zinc/80/95/50/986809550.db2.gz DWRKSILGABEACI-UWVGGRQHSA-N 1 2 230.377 1.338 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC001466827958 986826306 /nfs/dbraw/zinc/82/63/06/986826306.db2.gz SMBTWVFJCWPKQJ-MWLCHTKSSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC001467290905 986843563 /nfs/dbraw/zinc/84/35/63/986843563.db2.gz LNMSVUGUMBAUFH-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+]([C@@H]2CCSC2)CCO1 ZINC001255291681 986893521 /nfs/dbraw/zinc/89/35/21/986893521.db2.gz XQTMJJQFMYCWFM-SFYZADRCSA-N 1 2 241.278 1.755 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+]([C@@H]2CCSC2)CCO1 ZINC001255291681 986893524 /nfs/dbraw/zinc/89/35/24/986893524.db2.gz XQTMJJQFMYCWFM-SFYZADRCSA-N 1 2 241.278 1.755 20 0 BDADLO CC(=O)Nc1ccc(/C(C)=C/C=C/[NH3+])cn1 ZINC001245514968 986894745 /nfs/dbraw/zinc/89/47/45/986894745.db2.gz OGQYRYQXKLNIFW-DDEWIXKASA-N 1 2 217.272 1.916 20 0 BDADLO COc1ccc(-c2c[nH+]c(N)c(C)c2)nn1 ZINC001245536369 986915506 /nfs/dbraw/zinc/91/55/06/986915506.db2.gz PKRRBBDLBLUCQM-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO Cc1cc(-c2ccnc(C(N)=O)c2)c[nH+]c1N ZINC001245538501 986917669 /nfs/dbraw/zinc/91/76/69/986917669.db2.gz MHLIWSFIJRAYJK-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cc1cc(-c2cnc3c(c2)ncn3C)c[nH+]c1N ZINC001245537583 986918668 /nfs/dbraw/zinc/91/86/68/986918668.db2.gz RQEUKIBWEQIMNP-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO Cc1cc(-c2cncn3cnnc23)c[nH+]c1N ZINC001245539509 986924719 /nfs/dbraw/zinc/92/47/19/986924719.db2.gz GRDFYAGLEDJOAL-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CS1 ZINC001469010007 986956164 /nfs/dbraw/zinc/95/61/64/986956164.db2.gz IFUOFXZDLUQWDE-RKDXNWHRSA-N 1 2 239.344 1.353 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc(O)cc1O ZINC001471638180 987099382 /nfs/dbraw/zinc/09/93/82/987099382.db2.gz SZSVBXKHHCPOGN-UHFFFAOYSA-N 1 2 247.254 1.323 20 0 BDADLO COc1ccc([C@H](C)n2[nH]c(C[NH3+])cc2=O)cc1 ZINC001245925330 987171119 /nfs/dbraw/zinc/17/11/19/987171119.db2.gz MRTDPYMOOXKYLV-VIFPVBQESA-N 1 2 247.298 1.665 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C2=COCC2)[nH+]1 ZINC001472094854 987172174 /nfs/dbraw/zinc/17/21/74/987172174.db2.gz MURILLACBHHQMY-UHFFFAOYSA-N 1 2 235.287 1.454 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C2=COCC2)c[nH+]1 ZINC001472094854 987172177 /nfs/dbraw/zinc/17/21/77/987172177.db2.gz MURILLACBHHQMY-UHFFFAOYSA-N 1 2 235.287 1.454 20 0 BDADLO CCc1cc(N2CC[C@@H](CO)[C@@H]2C)nc(CC)[nH+]1 ZINC001472770742 987279020 /nfs/dbraw/zinc/27/90/20/987279020.db2.gz SXNPSPSZJGYKQD-QWRGUYRKSA-N 1 2 249.358 1.809 20 0 BDADLO CCc1cc(N2CC[C@@H](CO)[C@H]2C)nc(CC)[nH+]1 ZINC001472770741 987279441 /nfs/dbraw/zinc/27/94/41/987279441.db2.gz SXNPSPSZJGYKQD-MNOVXSKESA-N 1 2 249.358 1.809 20 0 BDADLO C[C@@H]1COC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000694028673 987318482 /nfs/dbraw/zinc/31/84/82/987318482.db2.gz HQIRYLSFDOKDJP-NOZJJQNGSA-N 1 2 231.299 1.687 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000695296479 987334020 /nfs/dbraw/zinc/33/40/20/987334020.db2.gz XKZYMRJEOUOOFH-JSJZCHLLSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000695296479 987334025 /nfs/dbraw/zinc/33/40/25/987334025.db2.gz XKZYMRJEOUOOFH-JSJZCHLLSA-N 1 2 239.315 1.217 20 0 BDADLO Cc1nn(C)c(CNCC[NH+]2CCC2)c1Cl ZINC000697890586 987365237 /nfs/dbraw/zinc/36/52/37/987365237.db2.gz XFYSVLCETQTKML-UHFFFAOYSA-N 1 2 242.754 1.177 20 0 BDADLO OCCCCCCNc1cc[nH+]cc1F ZINC000699634172 987376102 /nfs/dbraw/zinc/37/61/02/987376102.db2.gz FZUCVJUUUJIKSJ-UHFFFAOYSA-N 1 2 212.268 1.607 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001115897952 987410235 /nfs/dbraw/zinc/41/02/35/987410235.db2.gz XDQDATAETPIHSO-UTLUCORTSA-N 1 2 207.277 1.216 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(C)CC1 ZINC001116097830 987444269 /nfs/dbraw/zinc/44/42/69/987444269.db2.gz YNISFDJXSNLGLE-VIFPVBQESA-N 1 2 222.292 1.123 20 0 BDADLO C[C@@H](C(=O)NC1CC(C)C1)n1cc[nH+]c1 ZINC001116222094 987487217 /nfs/dbraw/zinc/48/72/17/987487217.db2.gz VDGGITOYWFAZQN-KYHHOPLUSA-N 1 2 207.277 1.359 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001116234353 987490688 /nfs/dbraw/zinc/49/06/88/987490688.db2.gz BUBFLAIZMHZEPM-ZJUUUORDSA-N 1 2 207.277 1.313 20 0 BDADLO C[C@@H](O)[C@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585444 987493155 /nfs/dbraw/zinc/49/31/55/987493155.db2.gz YDXJGYUNWHPMLP-JGVFFNPUSA-N 1 2 241.722 1.257 20 0 BDADLO C[C@@H](O)[C@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC001473585444 987493163 /nfs/dbraw/zinc/49/31/63/987493163.db2.gz YDXJGYUNWHPMLP-JGVFFNPUSA-N 1 2 241.722 1.257 20 0 BDADLO CCN(CC(C)(C)O)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116418505 987559484 /nfs/dbraw/zinc/55/94/84/987559484.db2.gz XCCXGESOPFIKIZ-SNVBAGLBSA-N 1 2 239.319 1.064 20 0 BDADLO C[C@H](O)CCC[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473797449 987567727 /nfs/dbraw/zinc/56/77/27/987567727.db2.gz POUIVWDLXVLALM-MNOVXSKESA-N 1 2 237.347 1.565 20 0 BDADLO C[C@H](O)CCC[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001473797449 987567729 /nfs/dbraw/zinc/56/77/29/987567729.db2.gz POUIVWDLXVLALM-MNOVXSKESA-N 1 2 237.347 1.565 20 0 BDADLO COC/C(C)=C\C[N@H+](C)Cc1ccn(C)n1 ZINC001473876921 987597331 /nfs/dbraw/zinc/59/73/31/987597331.db2.gz IKTYVXNPAFLBHH-WZUFQYTHSA-N 1 2 223.320 1.445 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)Cc1ccn(C)n1 ZINC001473876921 987597340 /nfs/dbraw/zinc/59/73/40/987597340.db2.gz IKTYVXNPAFLBHH-WZUFQYTHSA-N 1 2 223.320 1.445 20 0 BDADLO CCc1cc(C(=O)OCCn2cc[nH+]c2)nn1C ZINC001116525672 987614627 /nfs/dbraw/zinc/61/46/27/987614627.db2.gz XKGARZYFLXCFJV-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nncn2C)cn1 ZINC001116557657 987630231 /nfs/dbraw/zinc/63/02/31/987630231.db2.gz STIYOMUSPSMDQB-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO CC(C)C1C[NH+](Cc2nc(CO)cs2)C1 ZINC001474479649 987734832 /nfs/dbraw/zinc/73/48/32/987734832.db2.gz PQHOKCRCDPITEP-UHFFFAOYSA-N 1 2 226.345 1.723 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001474525152 987744150 /nfs/dbraw/zinc/74/41/50/987744150.db2.gz ALZFAAHCNKGXMF-CBAPKCEASA-N 1 2 243.253 1.626 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc(O)c(F)c1F ZINC001474525152 987744158 /nfs/dbraw/zinc/74/41/58/987744158.db2.gz ALZFAAHCNKGXMF-CBAPKCEASA-N 1 2 243.253 1.626 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1CC(F)(F)C1 ZINC001116882452 987745072 /nfs/dbraw/zinc/74/50/72/987745072.db2.gz COWWZPNHGOWEKM-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1CC(F)(F)C1 ZINC001116882452 987745080 /nfs/dbraw/zinc/74/50/80/987745080.db2.gz COWWZPNHGOWEKM-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO C[C@H](C(=O)NC1(C(F)F)CC1)n1cc[nH+]c1 ZINC001116921395 987760007 /nfs/dbraw/zinc/76/00/07/987760007.db2.gz GZATUSQNUCQZCI-SSDOTTSWSA-N 1 2 229.230 1.358 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)n[nH]1 ZINC001117723076 987877558 /nfs/dbraw/zinc/87/75/58/987877558.db2.gz QDSBOXUOWUJNJM-CYBMUJFWSA-N 1 2 249.358 1.967 20 0 BDADLO CN(C(=O)NCCc1cn(C)c[nH+]1)C1CCC1 ZINC001478785105 987887301 /nfs/dbraw/zinc/88/73/01/987887301.db2.gz YYKWLZAKBSAWND-UHFFFAOYSA-N 1 2 236.319 1.157 20 0 BDADLO C[C@@H](C(=O)N(C)CC(C)(C)C)n1cc[nH+]c1 ZINC001321436850 987904219 /nfs/dbraw/zinc/90/42/19/987904219.db2.gz BDVFCIRCNFFDBV-JTQLQIEISA-N 1 2 223.320 1.949 20 0 BDADLO Cc1nn(C)c(NC(=O)[C@H](C)n2cc[nH+]c2)c1C ZINC001321614553 987953909 /nfs/dbraw/zinc/95/39/09/987953909.db2.gz VACADCLQSLKNRD-JTQLQIEISA-N 1 2 247.302 1.433 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCc2cccc(C)n2)no1 ZINC001118198665 988093833 /nfs/dbraw/zinc/09/38/33/988093833.db2.gz YMUCUXJXNWEWII-SNVBAGLBSA-N 1 2 246.314 1.975 20 0 BDADLO CCOC(=O)c1cc(C[N@H+]2CC=C(C)CC2)[nH]n1 ZINC001118201965 988095806 /nfs/dbraw/zinc/09/58/06/988095806.db2.gz MYPOCGDJMMIPND-UHFFFAOYSA-N 1 2 249.314 1.738 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+]2CC=C(C)CC2)[nH]n1 ZINC001118201965 988095823 /nfs/dbraw/zinc/09/58/23/988095823.db2.gz MYPOCGDJMMIPND-UHFFFAOYSA-N 1 2 249.314 1.738 20 0 BDADLO CC[C@H](CC(F)F)C(=O)NC1C[NH+](CC)C1 ZINC001494397570 988144301 /nfs/dbraw/zinc/14/43/01/988144301.db2.gz SQYNENPOLQMCBS-MRVPVSSYSA-N 1 2 234.290 1.488 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCC[C@@H](C)O)C1CC1 ZINC001118292114 988199289 /nfs/dbraw/zinc/19/92/89/988199289.db2.gz ZEFOHKFDEKWYOB-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO COCCC1(c2nnc(C[NH+](C)C)o2)CCC1 ZINC001322339784 988215166 /nfs/dbraw/zinc/21/51/66/988215166.db2.gz MQXQQQPPWYQKST-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO CCc1coc(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001118322384 988221634 /nfs/dbraw/zinc/22/16/34/988221634.db2.gz CIGJOZBAASCGCB-MRVPVSSYSA-N 1 2 234.259 1.633 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2CCCOCC2)o1 ZINC001118372618 988270779 /nfs/dbraw/zinc/27/07/79/988270779.db2.gz YVFVEEXABYISBO-VIFPVBQESA-N 1 2 225.292 1.415 20 0 BDADLO C[C@@H](C(=O)Nc1ccc(F)nc1)n1cc[nH+]c1 ZINC001322655654 988356285 /nfs/dbraw/zinc/35/62/85/988356285.db2.gz DGSWCQMOTRPQJS-QMMMGPOBSA-N 1 2 234.234 1.617 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1cnccn1 ZINC001323168395 988463360 /nfs/dbraw/zinc/46/33/60/988463360.db2.gz MBHDJGAPUVIYIO-WDEREUQCSA-N 1 2 248.330 1.138 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1cnccn1 ZINC001323168395 988463366 /nfs/dbraw/zinc/46/33/66/988463366.db2.gz MBHDJGAPUVIYIO-WDEREUQCSA-N 1 2 248.330 1.138 20 0 BDADLO O=C(CCCF)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001323287403 988487111 /nfs/dbraw/zinc/48/71/11/988487111.db2.gz PVMDKPPOKYNZDI-JYBNPQIESA-N 1 2 248.729 1.679 20 0 BDADLO O=C(CCCF)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001323287403 988487121 /nfs/dbraw/zinc/48/71/21/988487121.db2.gz PVMDKPPOKYNZDI-JYBNPQIESA-N 1 2 248.729 1.679 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)[C@@H](F)C(C)C)C1 ZINC001499732332 988557705 /nfs/dbraw/zinc/55/77/05/988557705.db2.gz QZNFEOAUSSSVHX-JTQLQIEISA-N 1 2 216.300 1.143 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC001323930594 988655302 /nfs/dbraw/zinc/65/53/02/988655302.db2.gz NIQSRJGESGMFIP-NWDGAFQWSA-N 1 2 241.331 1.487 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC001548514269 988676232 /nfs/dbraw/zinc/67/62/32/988676232.db2.gz YNZFMKHFGLRUQC-KCJUWKMLSA-N 1 2 224.279 1.736 20 0 BDADLO CCC1(c2nnc(C[NH+](C)C)o2)CCC1 ZINC001324174908 988735754 /nfs/dbraw/zinc/73/57/54/988735754.db2.gz UMFAXSKTUYKBTN-UHFFFAOYSA-N 1 2 209.293 1.963 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001324316427 988794640 /nfs/dbraw/zinc/79/46/40/988794640.db2.gz CKHJNAXYJKQFLY-UDSFMNFJSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1cccc(-c2noc(Cc3c[nH]c[nH+]3)n2)n1 ZINC001247138331 988852051 /nfs/dbraw/zinc/85/20/51/988852051.db2.gz SHXNILNTYUURHY-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO [NH3+]Cc1nc(-c2ccc3c(c2)C(=O)CCC3)no1 ZINC001247387372 988871388 /nfs/dbraw/zinc/87/13/88/988871388.db2.gz AEKJHOYIUXOISS-UHFFFAOYSA-N 1 2 243.266 1.714 20 0 BDADLO Cc1cc(C)cc(-c2noc([C@H]([NH3+])CO)n2)c1 ZINC001247490813 988896969 /nfs/dbraw/zinc/89/69/69/988896969.db2.gz LWUWDQSYTHLMBQ-SNVBAGLBSA-N 1 2 233.271 1.346 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)n[nH]1 ZINC001119304547 988915225 /nfs/dbraw/zinc/91/52/25/988915225.db2.gz VJLZBBPRVQFKAI-NSHDSACASA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)n[nH]1 ZINC001119304547 988915240 /nfs/dbraw/zinc/91/52/40/988915240.db2.gz VJLZBBPRVQFKAI-NSHDSACASA-N 1 2 223.320 1.311 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC001247961089 989051802 /nfs/dbraw/zinc/05/18/02/989051802.db2.gz JLZYSVSAEHWWIP-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](O)CC(F)(F)C2)[nH+]1 ZINC001515682851 989095616 /nfs/dbraw/zinc/09/56/16/989095616.db2.gz QPECJMNMULHVLR-VIFPVBQESA-N 1 2 246.232 1.735 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)CCC1(F)F ZINC001515767396 989112446 /nfs/dbraw/zinc/11/24/46/989112446.db2.gz GZALIKTZYFHLCQ-SSDOTTSWSA-N 1 2 228.246 1.540 20 0 BDADLO CCc1ccc(N2CC[C@@H](C(=O)NC)C2)[nH+]c1 ZINC001515832722 989121335 /nfs/dbraw/zinc/12/13/35/989121335.db2.gz SVIGBTPXWKNEKC-LLVKDONJSA-N 1 2 233.315 1.216 20 0 BDADLO CCn1nc(C)c(NC(=O)Cc2c[nH]c[nH+]2)c1C ZINC001119532972 989133255 /nfs/dbraw/zinc/13/32/55/989133255.db2.gz OFPUUWXJKCUXHR-UHFFFAOYSA-N 1 2 247.302 1.424 20 0 BDADLO Cc1nonc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001248857304 989197968 /nfs/dbraw/zinc/19/79/68/989197968.db2.gz WSYDOSIZXBARMP-DTORHVGOSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1nonc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001248857304 989197975 /nfs/dbraw/zinc/19/79/75/989197975.db2.gz WSYDOSIZXBARMP-DTORHVGOSA-N 1 2 243.257 1.855 20 0 BDADLO C[C@@H](NCc1c[nH+]cn1C)c1ncco1 ZINC001119628305 989263725 /nfs/dbraw/zinc/26/37/25/989263725.db2.gz AQEHLQHKKHDTEK-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C[C@@H](C)OC ZINC001518049130 989275984 /nfs/dbraw/zinc/27/59/84/989275984.db2.gz RXWVASGIHFTVNY-SECBINFHSA-N 1 2 226.276 1.371 20 0 BDADLO Cc1cnn(C)c1C(=O)Nc1c(C)c[nH+]cc1C ZINC001518364630 989297700 /nfs/dbraw/zinc/29/77/00/989297700.db2.gz GSSCHOHOOUAZDU-UHFFFAOYSA-N 1 2 244.298 1.415 20 0 BDADLO C[C@@H](C(=O)N1CC2(C1)CCCC2)n1cc[nH+]c1 ZINC001325901989 989302221 /nfs/dbraw/zinc/30/22/21/989302221.db2.gz AGHNJVOZPOVSOR-NSHDSACASA-N 1 2 233.315 1.847 20 0 BDADLO COCC[N@H+](C)Cc1cc(C)sn1 ZINC001249570801 989303014 /nfs/dbraw/zinc/30/30/14/989303014.db2.gz HLNMOSWLBUVFQJ-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO COCC[N@@H+](C)Cc1cc(C)sn1 ZINC001249570801 989303031 /nfs/dbraw/zinc/30/30/31/989303031.db2.gz HLNMOSWLBUVFQJ-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC001325902859 989303409 /nfs/dbraw/zinc/30/34/09/989303409.db2.gz IPSVQYZJFAQINK-DTWKUNHWSA-N 1 2 205.261 1.113 20 0 BDADLO Cc1coc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1 ZINC001518426046 989307366 /nfs/dbraw/zinc/30/73/66/989307366.db2.gz JJBOEOMNRVUQLN-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO Cc1coc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC001518426046 989307377 /nfs/dbraw/zinc/30/73/77/989307377.db2.gz JJBOEOMNRVUQLN-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1CC1(F)F ZINC001519059448 989375641 /nfs/dbraw/zinc/37/56/41/989375641.db2.gz BZRCNEIATNOAAF-VIFPVBQESA-N 1 2 244.241 1.551 20 0 BDADLO CC(=O)N1CC[NH+](CCCC(F)(F)F)CC1 ZINC001119930077 989490301 /nfs/dbraw/zinc/49/03/01/989490301.db2.gz YPJWCGYAHPWLQA-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1CCC1 ZINC001520440352 989561229 /nfs/dbraw/zinc/56/12/29/989561229.db2.gz FJOJFXBBTAHWMV-UHFFFAOYSA-N 1 2 208.261 1.746 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccnc2N(C)C)C1 ZINC001326785443 989708621 /nfs/dbraw/zinc/70/86/21/989708621.db2.gz AILZTODGIUIIIJ-UHFFFAOYSA-N 1 2 249.358 1.350 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC001326795881 989718878 /nfs/dbraw/zinc/71/88/78/989718878.db2.gz NDBDVJFWJUZYNM-UWVGGRQHSA-N 1 2 246.318 1.325 20 0 BDADLO Cc1cc(NC(=O)C[C@H]([NH3+])C(F)F)ccc1N ZINC001521511500 989720517 /nfs/dbraw/zinc/72/05/17/989720517.db2.gz BGPPFSHQKTTZAB-VIFPVBQESA-N 1 2 243.257 1.498 20 0 BDADLO CC[C@H](F)C(=O)NCCCNc1cccc[nH+]1 ZINC001120603688 989776550 /nfs/dbraw/zinc/77/65/50/989776550.db2.gz ITDWQCBSZGBINW-JTQLQIEISA-N 1 2 239.294 1.748 20 0 BDADLO Cc1cscc1C(=O)NCCc1[nH+]ccn1C ZINC001521990982 989820605 /nfs/dbraw/zinc/82/06/05/989820605.db2.gz BKLRVCGWVPGGAZ-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C(C)(C)C1CC1 ZINC001522019222 989822952 /nfs/dbraw/zinc/82/29/52/989822952.db2.gz KTXQLEXQGQDGQO-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO Nc1cc(N2CCC([C@@H]3CCOC3)CC2)[nH+]cn1 ZINC001120834823 989915302 /nfs/dbraw/zinc/91/53/02/989915302.db2.gz ZRMKDIRIYBSIKO-LLVKDONJSA-N 1 2 248.330 1.312 20 0 BDADLO Nc1cc(N2CCC[C@H]2[C@H]2CCCO2)[nH+]cn1 ZINC001120845122 989917835 /nfs/dbraw/zinc/91/78/35/989917835.db2.gz LFTKTWYLKJCABG-VHSXEESVSA-N 1 2 234.303 1.207 20 0 BDADLO CN(CC1=CCSC1)c1cc(N)nc[nH+]1 ZINC001120863047 989930731 /nfs/dbraw/zinc/93/07/31/989930731.db2.gz QICYSPYKAYLVDQ-UHFFFAOYSA-N 1 2 222.317 1.168 20 0 BDADLO CCc1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]c1 ZINC001120951597 989986990 /nfs/dbraw/zinc/98/69/90/989986990.db2.gz UOANMMVGWPICLR-OUCADQQQSA-N 1 2 232.327 1.994 20 0 BDADLO CS[C@@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC001524815854 990015702 /nfs/dbraw/zinc/01/57/02/990015702.db2.gz BHRAAHHTNVFRGP-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H]1C ZINC001121139032 990021959 /nfs/dbraw/zinc/02/19/59/990021959.db2.gz HNWPFDXRFPCABI-GMSGAONNSA-N 1 2 204.273 1.715 20 0 BDADLO CCCNc1cc(N[C@@H]2CO[C@@H](C)C2)nc[nH+]1 ZINC000401372151 990090706 /nfs/dbraw/zinc/09/07/06/990090706.db2.gz GIEBUSIELHVTFB-UWVGGRQHSA-N 1 2 236.319 1.888 20 0 BDADLO CCCNc1cc(N[C@@H]2CO[C@@H](C)C2)[nH+]cn1 ZINC000401372151 990090718 /nfs/dbraw/zinc/09/07/18/990090718.db2.gz GIEBUSIELHVTFB-UWVGGRQHSA-N 1 2 236.319 1.888 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC1CC1 ZINC001527891425 990251473 /nfs/dbraw/zinc/25/14/73/990251473.db2.gz MHRNBLSVHNAOST-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CCCCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001527993083 990255719 /nfs/dbraw/zinc/25/57/19/990255719.db2.gz PWIMYZJKCOPHQN-UHFFFAOYSA-N 1 2 236.319 1.723 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CC12CCC2 ZINC001528762955 990313377 /nfs/dbraw/zinc/31/33/77/990313377.db2.gz AEPNHNRCKCOZSX-JTQLQIEISA-N 1 2 233.315 1.412 20 0 BDADLO Cc1cc(CNC(=O)c2cccnn2)cc(C)[nH+]1 ZINC001529061133 990327413 /nfs/dbraw/zinc/32/74/13/990327413.db2.gz VNYXQMXKDZXSPC-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001122404419 990374065 /nfs/dbraw/zinc/37/40/65/990374065.db2.gz XFEYBDKYTXWQPJ-HRDYMLBCSA-N 1 2 232.274 1.440 20 0 BDADLO CCn1cccc1C(=O)OCc1c[nH+]cn1C ZINC001122678004 990432503 /nfs/dbraw/zinc/43/25/03/990432503.db2.gz RRVHWILLTHTDLI-UHFFFAOYSA-N 1 2 233.271 1.599 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)C=CCC1 ZINC001122755370 990443408 /nfs/dbraw/zinc/44/34/08/990443408.db2.gz BNPWQHOSGBUVTP-GFCCVEGCSA-N 1 2 220.272 1.820 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1cccnc1 ZINC001537885688 990518007 /nfs/dbraw/zinc/51/80/07/990518007.db2.gz GSKPDGOQZPXAER-UHFFFAOYSA-N 1 2 241.294 1.697 20 0 BDADLO Cc1ncc(NC(=O)CCc2[nH+]ccn2C)cn1 ZINC001123644342 990633898 /nfs/dbraw/zinc/63/38/98/990633898.db2.gz ILLYEHJPDOOQSE-UHFFFAOYSA-N 1 2 245.286 1.090 20 0 BDADLO Cc1cnccc1NC(=O)CCc1[nH+]ccn1C ZINC001123650578 990637454 /nfs/dbraw/zinc/63/74/54/990637454.db2.gz ASLWCPCSKQBKLT-UHFFFAOYSA-N 1 2 244.298 1.117 20 0 BDADLO O=C([C@H]1C[C@@H]1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001123657439 990639649 /nfs/dbraw/zinc/63/96/49/990639649.db2.gz LKYRNCJCRLTVNY-UWVGGRQHSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@H]1C[C@@H]1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001123657439 990639652 /nfs/dbraw/zinc/63/96/52/990639652.db2.gz LKYRNCJCRLTVNY-UWVGGRQHSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@H]1C[C@H]1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001123657440 990639730 /nfs/dbraw/zinc/63/97/30/990639730.db2.gz LKYRNCJCRLTVNY-VHSXEESVSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@H]1C[C@H]1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001123657440 990639734 /nfs/dbraw/zinc/63/97/34/990639734.db2.gz LKYRNCJCRLTVNY-VHSXEESVSA-N 1 2 237.278 1.474 20 0 BDADLO CCON(CC)C(=O)CCc1[nH+]ccn1C ZINC001123869764 990690237 /nfs/dbraw/zinc/69/02/37/990690237.db2.gz XZSJKGRMHJEQKK-UHFFFAOYSA-N 1 2 225.292 1.153 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCCc1[nH+]ccn1C ZINC001124010788 990732117 /nfs/dbraw/zinc/73/21/17/990732117.db2.gz LOGYMJSZWDZRKY-BXUZGUMPSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001124014234 990733425 /nfs/dbraw/zinc/73/34/25/990733425.db2.gz CRBVKGFYDYDHKS-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO CCc1cnc(NC(=O)CCc2[nH+]ccn2C)o1 ZINC001124052398 990743272 /nfs/dbraw/zinc/74/32/72/990743272.db2.gz WFWONOLKWDKJFY-UHFFFAOYSA-N 1 2 248.286 1.542 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(F)F ZINC001548717947 990780151 /nfs/dbraw/zinc/78/01/51/990780151.db2.gz RRPLBXPQKCLTMS-SSDOTTSWSA-N 1 2 231.246 1.123 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001548719037 990786212 /nfs/dbraw/zinc/78/62/12/990786212.db2.gz MHAWKZXPAOOZMI-SMDDNHRTSA-N 1 2 249.358 1.904 20 0 BDADLO COc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1F ZINC001556301960 990817451 /nfs/dbraw/zinc/81/74/51/990817451.db2.gz AGBLDKFTRUNFSV-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1cncnc1)C2 ZINC001137664632 990836473 /nfs/dbraw/zinc/83/64/73/990836473.db2.gz JUGOYANAYMNOPP-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1cncnc1)C2 ZINC001137664632 990836474 /nfs/dbraw/zinc/83/64/74/990836474.db2.gz JUGOYANAYMNOPP-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CC(=O)Oc1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC001138037409 990876752 /nfs/dbraw/zinc/87/67/52/990876752.db2.gz WERHPBTZMZLHDM-UHFFFAOYSA-N 1 2 235.283 1.179 20 0 BDADLO Cc1nc(NC(=O)Cc2c[nH]c[nH+]2)oc1C ZINC001557554540 990896238 /nfs/dbraw/zinc/89/62/38/990896238.db2.gz KKPDNUSNQYVGEW-UHFFFAOYSA-N 1 2 220.232 1.196 20 0 BDADLO C=C/C=C/CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001557697716 990903648 /nfs/dbraw/zinc/90/36/48/990903648.db2.gz QPRYOKQDTMJKSD-AATRIKPKSA-N 1 2 233.315 1.867 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC000162085666 990948990 /nfs/dbraw/zinc/94/89/90/990948990.db2.gz NCILMFJPHHPJIT-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CCOCCCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001558497350 990950026 /nfs/dbraw/zinc/95/00/26/990950026.db2.gz KTJNMPNSZOXHRL-UHFFFAOYSA-N 1 2 239.319 1.405 20 0 BDADLO CCOCCCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001558497350 990950028 /nfs/dbraw/zinc/95/00/28/990950028.db2.gz KTJNMPNSZOXHRL-UHFFFAOYSA-N 1 2 239.319 1.405 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2C[C@@H](C)CO2)c[nH+]1 ZINC001558498106 990952444 /nfs/dbraw/zinc/95/24/44/990952444.db2.gz OIQCHZIKFICSGU-SCZZXKLOSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2C[C@@H](C)CO2)[nH+]1 ZINC001558498106 990952448 /nfs/dbraw/zinc/95/24/48/990952448.db2.gz OIQCHZIKFICSGU-SCZZXKLOSA-N 1 2 237.303 1.013 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C(C)(C)CO)[nH+]1 ZINC001558561518 990968477 /nfs/dbraw/zinc/96/84/77/990968477.db2.gz VZUZNJLJWPGDOP-UHFFFAOYSA-N 1 2 239.319 1.168 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C(C)(C)CO)c[nH+]1 ZINC001558561518 990968490 /nfs/dbraw/zinc/96/84/90/990968490.db2.gz VZUZNJLJWPGDOP-UHFFFAOYSA-N 1 2 239.319 1.168 20 0 BDADLO CCSc1ncc(C[NH+]2CC=CC2)cn1 ZINC001138650704 990997137 /nfs/dbraw/zinc/99/71/37/990997137.db2.gz ZMRIQQMEGGPRII-UHFFFAOYSA-N 1 2 221.329 1.960 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOCC23CC3)c1C ZINC001138646080 990998322 /nfs/dbraw/zinc/99/83/22/990998322.db2.gz JOPOGHQEJDBAPA-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOCC23CC3)c1C ZINC001138646080 990998332 /nfs/dbraw/zinc/99/83/32/990998332.db2.gz JOPOGHQEJDBAPA-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC001138692047 991004377 /nfs/dbraw/zinc/00/43/77/991004377.db2.gz CNCHNWNONNVRHP-UHFFFAOYSA-N 1 2 249.314 1.072 20 0 BDADLO CNc1ncccc1C[N@H+]1CCC2(C1)OCCO2 ZINC001138692047 991004390 /nfs/dbraw/zinc/00/43/90/991004390.db2.gz CNCHNWNONNVRHP-UHFFFAOYSA-N 1 2 249.314 1.072 20 0 BDADLO CCOC(=O)CCC[C@H](C)[NH2+]CC(=O)OCC ZINC001258107885 991016027 /nfs/dbraw/zinc/01/60/27/991016027.db2.gz XPMUYWKTIGHIEY-JTQLQIEISA-N 1 2 245.319 1.261 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cnc(SC)nc1 ZINC001138709057 991018865 /nfs/dbraw/zinc/01/88/65/991018865.db2.gz OMICRZNWWWLFIT-JTQLQIEISA-N 1 2 239.344 1.419 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cnc(SC)nc1 ZINC001138709057 991018874 /nfs/dbraw/zinc/01/88/74/991018874.db2.gz OMICRZNWWWLFIT-JTQLQIEISA-N 1 2 239.344 1.419 20 0 BDADLO OC1C[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138712952 991019073 /nfs/dbraw/zinc/01/90/73/991019073.db2.gz QTVPUFMZCNKXRI-UHFFFAOYSA-N 1 2 219.284 1.188 20 0 BDADLO Nc1[nH+]cccc1CNc1ncc(Cl)cn1 ZINC001559193300 991047772 /nfs/dbraw/zinc/04/77/72/991047772.db2.gz XWFGRAWWBFEWHS-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO C[N@H+](CCF)Cc1cccc2ccnn21 ZINC001138810451 991068501 /nfs/dbraw/zinc/06/85/01/991068501.db2.gz VABLGXWTBXBASA-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO C[N@@H+](CCF)Cc1cccc2ccnn21 ZINC001138810451 991068511 /nfs/dbraw/zinc/06/85/11/991068511.db2.gz VABLGXWTBXBASA-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc2ccnn21 ZINC001138808481 991068841 /nfs/dbraw/zinc/06/88/41/991068841.db2.gz XIEKIVIGGUHQOT-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccc2ccnn21 ZINC001138808481 991068848 /nfs/dbraw/zinc/06/88/48/991068848.db2.gz XIEKIVIGGUHQOT-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1cc(N(C)CCC(N)=O)[nH+]c2ccccc12 ZINC001258173524 991075758 /nfs/dbraw/zinc/07/57/58/991075758.db2.gz TYLIHUAGJDWPSN-UHFFFAOYSA-N 1 2 243.310 1.855 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C[C@@H](O)CO)cs1 ZINC001138883228 991090156 /nfs/dbraw/zinc/09/01/56/991090156.db2.gz MXKVRVVLNMIMIZ-SNVBAGLBSA-N 1 2 244.360 1.052 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C[C@@H](O)CO)cs1 ZINC001138883228 991090165 /nfs/dbraw/zinc/09/01/65/991090165.db2.gz MXKVRVVLNMIMIZ-SNVBAGLBSA-N 1 2 244.360 1.052 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)cnc2Cl)C[C@H]1O ZINC001138891382 991093845 /nfs/dbraw/zinc/09/38/45/991093845.db2.gz WIGDJJPMQGZGKF-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)cnc2Cl)C[C@H]1O ZINC001138891382 991093855 /nfs/dbraw/zinc/09/38/55/991093855.db2.gz WIGDJJPMQGZGKF-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)cnc1Cl ZINC001138891099 991095490 /nfs/dbraw/zinc/09/54/90/991095490.db2.gz MRZFZCKALOTCRA-XCBNKYQSSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)cnc1Cl ZINC001138891099 991095498 /nfs/dbraw/zinc/09/54/98/991095498.db2.gz MRZFZCKALOTCRA-XCBNKYQSSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@H](Cc1ccco1)[NH+]1CC(N(C)C)C1 ZINC001258187671 991097545 /nfs/dbraw/zinc/09/75/45/991097545.db2.gz ZFHNIAFSYSXXES-SNVBAGLBSA-N 1 2 208.305 1.456 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC001308705074 991103663 /nfs/dbraw/zinc/10/36/63/991103663.db2.gz SKVOAEZJMWTYML-PWSUYJOCSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3cnn(C)c3C2)n1 ZINC001138938278 991106199 /nfs/dbraw/zinc/10/61/99/991106199.db2.gz FSRSQWOKXXABFC-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3cnn(C)c3C2)n1 ZINC001138938278 991106203 /nfs/dbraw/zinc/10/62/03/991106203.db2.gz FSRSQWOKXXABFC-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO CCc1cn(Cc2cccc(C(N)=O)c2)c[nH+]1 ZINC001559465872 991114277 /nfs/dbraw/zinc/11/42/77/991114277.db2.gz DOJXLHGMGSDKBA-UHFFFAOYSA-N 1 2 229.283 1.593 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001139094411 991141551 /nfs/dbraw/zinc/14/15/51/991141551.db2.gz HBIWTKUKAHZAIJ-MRVPVSSYSA-N 1 2 221.304 1.437 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001139094411 991141557 /nfs/dbraw/zinc/14/15/57/991141557.db2.gz HBIWTKUKAHZAIJ-MRVPVSSYSA-N 1 2 221.304 1.437 20 0 BDADLO CC[N@H+](Cc1ccc(O)cc1OC)C1COC1 ZINC001139142900 991164051 /nfs/dbraw/zinc/16/40/51/991164051.db2.gz ZHUTVBBXCBFMCV-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CC[N@@H+](Cc1ccc(O)cc1OC)C1COC1 ZINC001139142900 991164060 /nfs/dbraw/zinc/16/40/60/991164060.db2.gz ZHUTVBBXCBFMCV-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnc(N)s2)cn1 ZINC001139231517 991206952 /nfs/dbraw/zinc/20/69/52/991206952.db2.gz UELMZDWIEIFKLY-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnc(N)s2)cn1 ZINC001139231517 991206963 /nfs/dbraw/zinc/20/69/63/991206963.db2.gz UELMZDWIEIFKLY-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO CC1(C)CCC[C@@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258284767 991220393 /nfs/dbraw/zinc/22/03/93/991220393.db2.gz HAPYANLFXJBVFM-SNVBAGLBSA-N 1 2 215.312 1.971 20 0 BDADLO CC(C)CCc1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001258289664 991225138 /nfs/dbraw/zinc/22/51/38/991225138.db2.gz LFJBLHPVBLCXSZ-UHFFFAOYSA-N 1 2 234.303 1.983 20 0 BDADLO CC[C@@H](C[NH2+][C@H](C)c1noc(C)n1)OC ZINC001559731390 991232352 /nfs/dbraw/zinc/23/23/52/991232352.db2.gz KFWVHXOYEUPXDM-APPZFPTMSA-N 1 2 213.281 1.454 20 0 BDADLO CC(C)=CC[NH+]1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001258292101 991233540 /nfs/dbraw/zinc/23/35/40/991233540.db2.gz OGYDNXYENJKIMR-UHFFFAOYSA-N 1 2 248.330 1.134 20 0 BDADLO Clc1ccc(C[NH2+]Cc2cnccn2)nn1 ZINC001308978419 991245716 /nfs/dbraw/zinc/24/57/16/991245716.db2.gz LFMOBCSGOKNEBJ-UHFFFAOYSA-N 1 2 235.678 1.210 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H]2C)c[nH+]1 ZINC001339411072 991264976 /nfs/dbraw/zinc/26/49/76/991264976.db2.gz WHZKZVRLRUEYSR-MWLCHTKSSA-N 1 2 235.331 1.841 20 0 BDADLO OC1CC[NH+](Cc2cn3c(cccc3F)n2)CC1 ZINC001139565699 991274596 /nfs/dbraw/zinc/27/45/96/991274596.db2.gz HMOAPAHGOKPHNM-UHFFFAOYSA-N 1 2 249.289 1.430 20 0 BDADLO CCCCOC1C[NH+]([C@@H](C)CCC(=O)OC)C1 ZINC001258369118 991318666 /nfs/dbraw/zinc/31/86/66/991318666.db2.gz CKCHIWDJDLLSEZ-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CC1(C)C[NH+](Cc2cn3ccncc3n2)C1 ZINC001139694441 991323042 /nfs/dbraw/zinc/32/30/42/991323042.db2.gz NVSUBGYIAQOIAO-UHFFFAOYSA-N 1 2 216.288 1.571 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@@H]1CC=CCC1 ZINC001312040157 991342404 /nfs/dbraw/zinc/34/24/04/991342404.db2.gz ANZHAIWCSFNDAV-LLVKDONJSA-N 1 2 246.314 1.572 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1ncccn1)OC ZINC001560102426 991384133 /nfs/dbraw/zinc/38/41/33/991384133.db2.gz OAURPLDMRPDJHC-JTQLQIEISA-N 1 2 209.293 1.333 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1ncccn1)OC ZINC001560102426 991384147 /nfs/dbraw/zinc/38/41/47/991384147.db2.gz OAURPLDMRPDJHC-JTQLQIEISA-N 1 2 209.293 1.333 20 0 BDADLO COCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)s1 ZINC001139827268 991386261 /nfs/dbraw/zinc/38/62/61/991386261.db2.gz SUCACUQNHRSTLJ-UWVGGRQHSA-N 1 2 239.340 1.868 20 0 BDADLO COCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)s1 ZINC001139827268 991386264 /nfs/dbraw/zinc/38/62/64/991386264.db2.gz SUCACUQNHRSTLJ-UWVGGRQHSA-N 1 2 239.340 1.868 20 0 BDADLO Fc1cc(C[N@@H+]2CC[C@]23CCOC3)ccn1 ZINC001139835469 991395450 /nfs/dbraw/zinc/39/54/50/991395450.db2.gz ZPAJABNILSZYKJ-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cc(C[N@H+]2CC[C@]23CCOC3)ccn1 ZINC001139835469 991395459 /nfs/dbraw/zinc/39/54/59/991395459.db2.gz ZPAJABNILSZYKJ-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Cc1ccc(C[N@@H+](C)C2(C)COC2)nc1 ZINC001139840440 991400845 /nfs/dbraw/zinc/40/08/45/991400845.db2.gz QVABJCYXOFMLEN-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@H+](C)C2(C)COC2)nc1 ZINC001139840440 991400850 /nfs/dbraw/zinc/40/08/50/991400850.db2.gz QVABJCYXOFMLEN-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H](C)CC1CC1)[C@@H](C)O ZINC001258451092 991401184 /nfs/dbraw/zinc/40/11/84/991401184.db2.gz GEAQHQHJUQRSAN-FXPVBKGRSA-N 1 2 229.320 1.077 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3cccnn3)C2)C1 ZINC001139971066 991438305 /nfs/dbraw/zinc/43/83/05/991438305.db2.gz AYYPROLSRULRGH-SECBINFHSA-N 1 2 239.319 1.506 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3cccnn3)C2)C1 ZINC001139971067 991440344 /nfs/dbraw/zinc/44/03/44/991440344.db2.gz AYYPROLSRULRGH-VIFPVBQESA-N 1 2 239.319 1.506 20 0 BDADLO CC[N@H+](Cc1ccccn1)Cc1cccnn1 ZINC001139972366 991443664 /nfs/dbraw/zinc/44/36/64/991443664.db2.gz QBUKKKWEFLTQMQ-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1ccccn1)Cc1cccnn1 ZINC001139972366 991443672 /nfs/dbraw/zinc/44/36/72/991443672.db2.gz QBUKKKWEFLTQMQ-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC001258474503 991447223 /nfs/dbraw/zinc/44/72/23/991447223.db2.gz TZRCAKPQGHQFBV-UWVGGRQHSA-N 1 2 245.319 1.259 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3ccnnc3)C2)C1 ZINC001139984971 991461125 /nfs/dbraw/zinc/46/11/25/991461125.db2.gz FWFSCBDRFWUOCT-SNVBAGLBSA-N 1 2 239.319 1.506 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139992329 991466871 /nfs/dbraw/zinc/46/68/71/991466871.db2.gz FLTIZBBXTWRURB-WCBMZHEXSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cnc(Cl)nc1 ZINC001139992329 991466875 /nfs/dbraw/zinc/46/68/75/991466875.db2.gz FLTIZBBXTWRURB-WCBMZHEXSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@]1(CO)CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988107 991468336 /nfs/dbraw/zinc/46/83/36/991468336.db2.gz PJTXBYGAVAFKFF-NSHDSACASA-N 1 2 241.722 1.334 20 0 BDADLO C[C@]1(CO)CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988107 991468340 /nfs/dbraw/zinc/46/83/40/991468340.db2.gz PJTXBYGAVAFKFF-NSHDSACASA-N 1 2 241.722 1.334 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)nc2)CC[C@H]1O ZINC001139988026 991468937 /nfs/dbraw/zinc/46/89/37/991468937.db2.gz MDKAEFNNTZXIRW-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)nc2)CC[C@H]1O ZINC001139988026 991468943 /nfs/dbraw/zinc/46/89/43/991468943.db2.gz MDKAEFNNTZXIRW-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)nc2)CC[C@H]1O ZINC001139988024 991470481 /nfs/dbraw/zinc/47/04/81/991470481.db2.gz MDKAEFNNTZXIRW-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)nc2)CC[C@H]1O ZINC001139988024 991470485 /nfs/dbraw/zinc/47/04/85/991470485.db2.gz MDKAEFNNTZXIRW-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CCC(C)(C)C1 ZINC001258592985 991492077 /nfs/dbraw/zinc/49/20/77/991492077.db2.gz IDDRANJKHPMBEM-UWVGGRQHSA-N 1 2 229.320 1.079 20 0 BDADLO CNc1nccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001140040951 991493746 /nfs/dbraw/zinc/49/37/46/991493746.db2.gz SFZKNAASZHYARQ-SCZZXKLOSA-N 1 2 224.283 1.308 20 0 BDADLO CNc1nccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001140040951 991493754 /nfs/dbraw/zinc/49/37/54/991493754.db2.gz SFZKNAASZHYARQ-SCZZXKLOSA-N 1 2 224.283 1.308 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccnc(SC)n1 ZINC001140039517 991494264 /nfs/dbraw/zinc/49/42/64/991494264.db2.gz BFWATYTVEYVSFO-JTQLQIEISA-N 1 2 239.344 1.419 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccnc(SC)n1 ZINC001140039517 991494270 /nfs/dbraw/zinc/49/42/70/991494270.db2.gz BFWATYTVEYVSFO-JTQLQIEISA-N 1 2 239.344 1.419 20 0 BDADLO CNc1nccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC001140050381 991501367 /nfs/dbraw/zinc/50/13/67/991501367.db2.gz ZMRXQMFLUQGURH-GFCCVEGCSA-N 1 2 248.330 1.129 20 0 BDADLO CNc1nccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC001140050381 991501374 /nfs/dbraw/zinc/50/13/74/991501374.db2.gz ZMRXQMFLUQGURH-GFCCVEGCSA-N 1 2 248.330 1.129 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(O)ccc1F ZINC001140052821 991509308 /nfs/dbraw/zinc/50/93/08/991509308.db2.gz CFDZBJSPKPZYJX-SNVBAGLBSA-N 1 2 225.263 1.752 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(O)ccc1F ZINC001140052821 991509318 /nfs/dbraw/zinc/50/93/18/991509318.db2.gz CFDZBJSPKPZYJX-SNVBAGLBSA-N 1 2 225.263 1.752 20 0 BDADLO COC(=O)C1([NH2+][C@@H](C)Cc2cccnc2)CCC1 ZINC001258610213 991532893 /nfs/dbraw/zinc/53/28/93/991532893.db2.gz HRWKXPJXWSCPPL-NSHDSACASA-N 1 2 248.326 1.698 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1[C@H](C)Cc1cccnc1 ZINC001258625988 991565803 /nfs/dbraw/zinc/56/58/03/991565803.db2.gz ZWSZIDQYHREQMS-PWSUYJOCSA-N 1 2 234.299 1.260 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1[C@H](C)Cc1cccnc1 ZINC001258625988 991565813 /nfs/dbraw/zinc/56/58/13/991565813.db2.gz ZWSZIDQYHREQMS-PWSUYJOCSA-N 1 2 234.299 1.260 20 0 BDADLO CCCCC[C@@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC001560763004 991589949 /nfs/dbraw/zinc/58/99/49/991589949.db2.gz APSYLVAZXKOPRG-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO Cn1cc2c(n1)CC[N@@H+](Cc1ccncc1O)C2 ZINC001140278894 991600294 /nfs/dbraw/zinc/60/02/94/991600294.db2.gz XESRHTZIEGFJNB-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cc2c(n1)CC[N@H+](Cc1ccncc1O)C2 ZINC001140278894 991600301 /nfs/dbraw/zinc/60/03/01/991600301.db2.gz XESRHTZIEGFJNB-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cc1ccc(CCNC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001317998206 991608948 /nfs/dbraw/zinc/60/89/48/991608948.db2.gz KNOZOBBHPQOZTK-LLVKDONJSA-N 1 2 247.298 1.704 20 0 BDADLO CC(C)CCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318031109 991612718 /nfs/dbraw/zinc/61/27/18/991612718.db2.gz PZMYKNRCFATKOE-LLVKDONJSA-N 1 2 223.320 1.997 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258686272 991617003 /nfs/dbraw/zinc/61/70/03/991617003.db2.gz ASSHILMDIUIPSO-OUAUKWLOSA-N 1 2 243.347 1.325 20 0 BDADLO Cc1occc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318108589 991623882 /nfs/dbraw/zinc/62/38/82/991623882.db2.gz URQXPLIKMMLYEG-SECBINFHSA-N 1 2 233.271 1.662 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1ccncc1F ZINC001560860559 991629084 /nfs/dbraw/zinc/62/90/84/991629084.db2.gz PYYVOOSCYSYIQG-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO c1[nH]nc2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)cc12 ZINC001140388690 991634547 /nfs/dbraw/zinc/63/45/47/991634547.db2.gz CAMAQYJEXDLIFO-OLZOCXBDSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)cc12 ZINC001140388690 991634552 /nfs/dbraw/zinc/63/45/52/991634552.db2.gz CAMAQYJEXDLIFO-OLZOCXBDSA-N 1 2 229.283 1.536 20 0 BDADLO COc1cccnc1C[NH2+]Cc1c(C)cnn1C ZINC001560887814 991637782 /nfs/dbraw/zinc/63/77/82/991637782.db2.gz PHAICWZZDZPOMK-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO C[C@@H](C(=O)N1CCCn2nccc21)n1cc[nH+]c1 ZINC001318372832 991653497 /nfs/dbraw/zinc/65/34/97/991653497.db2.gz AGLTZDUPANCKRM-JTQLQIEISA-N 1 2 245.286 1.078 20 0 BDADLO Cn1cnc2cc(C[N@@H+]3CCC34COC4)ccc21 ZINC001140507467 991658857 /nfs/dbraw/zinc/65/88/57/991658857.db2.gz GZYNNVSMFVIBOX-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO Cn1cnc2cc(C[N@H+]3CCC34COC4)ccc21 ZINC001140507467 991658863 /nfs/dbraw/zinc/65/88/63/991658863.db2.gz GZYNNVSMFVIBOX-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO C[C@H](Cc1ccno1)[NH2+][C@H](C)C(F)F ZINC001560983390 991675433 /nfs/dbraw/zinc/67/54/33/991675433.db2.gz BBPYCHSWMITQTN-RNFRBKRXSA-N 1 2 204.220 1.849 20 0 BDADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H]1C)n1cc[nH+]c1 ZINC001318661478 991695994 /nfs/dbraw/zinc/69/59/94/991695994.db2.gz MXYUGAGHGTZJCJ-MXWKQRLJSA-N 1 2 221.304 1.701 20 0 BDADLO COC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001318689253 991699687 /nfs/dbraw/zinc/69/96/87/991699687.db2.gz PUADFQFIDQVPKI-GHMZBOCLSA-N 1 2 239.319 1.231 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc[nH+]c1N ZINC001563977888 991756766 /nfs/dbraw/zinc/75/67/66/991756766.db2.gz LUIPBATYXULMFO-MWLCHTKSSA-N 1 2 248.330 1.652 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NCC1=CCCC1 ZINC001565100545 991781744 /nfs/dbraw/zinc/78/17/44/991781744.db2.gz AWEJJOXHSHVGEF-UHFFFAOYSA-N 1 2 246.314 1.573 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001319116564 991789180 /nfs/dbraw/zinc/78/91/80/991789180.db2.gz KMKYYDSCGPTTMM-MNOVXSKESA-N 1 2 221.304 1.703 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1C ZINC001565569121 991789833 /nfs/dbraw/zinc/78/98/33/991789833.db2.gz ZWPXJARDVIBAJK-JTQLQIEISA-N 1 2 248.330 1.628 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1C ZINC001565569121 991789843 /nfs/dbraw/zinc/78/98/43/991789843.db2.gz ZWPXJARDVIBAJK-JTQLQIEISA-N 1 2 248.330 1.628 20 0 BDADLO COC(=O)[C@]1([NH2+][C@H]2CCC[C@@H](C)C2)CCOC1 ZINC001258816294 991829887 /nfs/dbraw/zinc/82/98/87/991829887.db2.gz AZZDJAANKLMMKW-MDZLAQPJSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001258822251 991842233 /nfs/dbraw/zinc/84/22/33/991842233.db2.gz BJLUTACLKKBANM-NXEZZACHSA-N 1 2 231.361 1.294 20 0 BDADLO C[C@H]1CCC[C@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001258822252 991842911 /nfs/dbraw/zinc/84/29/11/991842911.db2.gz BJLUTACLKKBANM-UWVGGRQHSA-N 1 2 231.361 1.294 20 0 BDADLO CC[C@H]1C[N@H+](CN2C(=O)CC2(C)C)C[C@H](C)O1 ZINC001319380926 991852398 /nfs/dbraw/zinc/85/23/98/991852398.db2.gz TZWPUZOPEGMUQW-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO CC[C@H]1C[N@@H+](CN2C(=O)CC2(C)C)C[C@H](C)O1 ZINC001319380926 991852404 /nfs/dbraw/zinc/85/24/04/991852404.db2.gz TZWPUZOPEGMUQW-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO CCc1ncc(NC(=O)[C@@H](C)n2cc[nH+]c2)cn1 ZINC001319371315 991852761 /nfs/dbraw/zinc/85/27/61/991852761.db2.gz WVJMQJOSKBUXNB-SECBINFHSA-N 1 2 245.286 1.435 20 0 BDADLO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCOC1=O ZINC001258837728 991872738 /nfs/dbraw/zinc/87/27/38/991872738.db2.gz CUDMQFMVAUASGG-OLZOCXBDSA-N 1 2 233.311 1.913 20 0 BDADLO CCc1ccc(O)c(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001567090905 991944398 /nfs/dbraw/zinc/94/43/98/991944398.db2.gz JUHAJROYLNNPQZ-UHFFFAOYSA-N 1 2 245.282 1.859 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC001319757146 991968245 /nfs/dbraw/zinc/96/82/45/991968245.db2.gz WVBCZXROQUIBSB-IJLUTSLNSA-N 1 2 235.331 1.949 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccncc1 ZINC001319932472 992033807 /nfs/dbraw/zinc/03/38/07/992033807.db2.gz PHTVDPWTUYVLEE-SNVBAGLBSA-N 1 2 243.314 1.470 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)[C@H](C)C(C)C)C1 ZINC001567807870 992100659 /nfs/dbraw/zinc/10/06/59/992100659.db2.gz BRBOGUSEOPTMRJ-LLVKDONJSA-N 1 2 242.363 1.115 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001260730940 992147846 /nfs/dbraw/zinc/14/78/46/992147846.db2.gz XTVHUEYEYNVKKV-AXFHLTTASA-N 1 2 248.392 1.139 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001260730940 992147849 /nfs/dbraw/zinc/14/78/49/992147849.db2.gz XTVHUEYEYNVKKV-AXFHLTTASA-N 1 2 248.392 1.139 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)n[nH]1 ZINC001261245769 992214562 /nfs/dbraw/zinc/21/45/62/992214562.db2.gz PAMNLGFIYSYXRI-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)n[nH]1 ZINC001261245769 992214573 /nfs/dbraw/zinc/21/45/73/992214573.db2.gz PAMNLGFIYSYXRI-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(C)[nH]n1 ZINC001320508626 992226487 /nfs/dbraw/zinc/22/64/87/992226487.db2.gz FVVSIGFYOMMKLE-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001320508626 992226496 /nfs/dbraw/zinc/22/64/96/992226496.db2.gz FVVSIGFYOMMKLE-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO O=C(C[N@@H+]1CC2CCC1CC2)Nc1ccon1 ZINC001320559536 992250450 /nfs/dbraw/zinc/25/04/50/992250450.db2.gz MKMXOPRXALSAPG-UHFFFAOYSA-N 1 2 235.287 1.488 20 0 BDADLO O=C(C[N@H+]1CC2CCC1CC2)Nc1ccon1 ZINC001320559536 992250467 /nfs/dbraw/zinc/25/04/67/992250467.db2.gz MKMXOPRXALSAPG-UHFFFAOYSA-N 1 2 235.287 1.488 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1nncn1C ZINC001261601151 992423660 /nfs/dbraw/zinc/42/36/60/992423660.db2.gz FJAKTOIEAFLUJK-NXEZZACHSA-N 1 2 246.318 1.197 20 0 BDADLO C[C@@H](C(=O)NCCC1(C)CC1)n1cc[nH+]c1 ZINC001321064987 992445652 /nfs/dbraw/zinc/44/56/52/992445652.db2.gz IMLJAFWHWAKPJE-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO Cc1cc(CNC(=O)c2cc[nH]c2)cc(C)[nH+]1 ZINC001570451650 992469621 /nfs/dbraw/zinc/46/96/21/992469621.db2.gz BGMYCUAISLTVSC-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CCn1ncc(NC(=O)[C@H](C)n2cc[nH+]c2)c1C ZINC001261915296 992578584 /nfs/dbraw/zinc/57/85/84/992578584.db2.gz FYIZAATWDPPZHB-JTQLQIEISA-N 1 2 247.302 1.608 20 0 BDADLO CC[C@H](C[NH2+][C@@H]1CCC[N@H+](CC)C1)C(=O)[O-] ZINC001573805816 992721998 /nfs/dbraw/zinc/72/19/98/992721998.db2.gz ZNDMRLJJIJFIAA-GHMZBOCLSA-N 1 2 228.336 1.171 20 0 BDADLO CC[C@H](C[NH2+][C@@H]1CCC[N@@H+](CC)C1)C(=O)[O-] ZINC001573805816 992722002 /nfs/dbraw/zinc/72/20/02/992722002.db2.gz ZNDMRLJJIJFIAA-GHMZBOCLSA-N 1 2 228.336 1.171 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC/C=C\C1CC1 ZINC001262173611 992750739 /nfs/dbraw/zinc/75/07/39/992750739.db2.gz NFCYQHVIUSJHEQ-UPHRSURJSA-N 1 2 205.261 1.035 20 0 BDADLO C[C@H](C(=O)NCCCC(F)F)n1cc[nH+]c1 ZINC001262206291 992801231 /nfs/dbraw/zinc/80/12/31/992801231.db2.gz WWBMLHCVRZHIFD-MRVPVSSYSA-N 1 2 231.246 1.606 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCCC(F)F ZINC001262205917 992802183 /nfs/dbraw/zinc/80/21/83/992802183.db2.gz GZUVZLBLZOMKQL-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO Cc1coc(COC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC001574179258 992818165 /nfs/dbraw/zinc/81/81/65/992818165.db2.gz GMIUTUDKLORSTR-NSHDSACASA-N 1 2 223.272 1.773 20 0 BDADLO O=C(CCC1CCC1)N=S1(=O)CC[NH2+]CC1 ZINC001574294220 992844054 /nfs/dbraw/zinc/84/40/54/992844054.db2.gz ZHTUATTWHGRATI-UHFFFAOYSA-N 1 2 244.360 1.165 20 0 BDADLO CCc1ccc(N2CC[C@H]([C@H](C)O)C2)[nH+]c1 ZINC001262690072 993029358 /nfs/dbraw/zinc/02/93/58/993029358.db2.gz RJXPHURSIGMSPM-JQWIXIFHSA-N 1 2 220.316 1.851 20 0 BDADLO Cc1cc(F)cc(N(C)[C@H](C)CCO)[nH+]1 ZINC001262700972 993041562 /nfs/dbraw/zinc/04/15/62/993041562.db2.gz XXKKEQJKZMBZMY-SECBINFHSA-N 1 2 212.268 1.736 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC001262735075 993054983 /nfs/dbraw/zinc/05/49/83/993054983.db2.gz RASUFODXFWHANM-DGCLKSJQSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cc(C)c(C(=O)NCCCON)c(C)[nH+]1 ZINC001263235109 993178115 /nfs/dbraw/zinc/17/81/15/993178115.db2.gz XNVPWFNOYPHUGC-UHFFFAOYSA-N 1 2 237.303 1.017 20 0 BDADLO CC[C@](C)([NH2+][C@@H]1CCO[C@H](C)C1)c1cn[nH]n1 ZINC001576195760 993208435 /nfs/dbraw/zinc/20/84/35/993208435.db2.gz FQJBHZSEGZRJBT-FOGDFJRCSA-N 1 2 238.335 1.587 20 0 BDADLO CC[C@](C)([NH2+][C@@H]1CCO[C@H](C)C1)c1c[nH]nn1 ZINC001576195760 993208443 /nfs/dbraw/zinc/20/84/43/993208443.db2.gz FQJBHZSEGZRJBT-FOGDFJRCSA-N 1 2 238.335 1.587 20 0 BDADLO CC[C@@H]([NH2+]CCSC(C)C)c1cn[nH]n1 ZINC001576292404 993258568 /nfs/dbraw/zinc/25/85/68/993258568.db2.gz QUSQMORBBOLTAY-SECBINFHSA-N 1 2 228.365 1.987 20 0 BDADLO CC[C@@H]([NH2+]CCSC(C)C)c1c[nH]nn1 ZINC001576292404 993258577 /nfs/dbraw/zinc/25/85/77/993258577.db2.gz QUSQMORBBOLTAY-SECBINFHSA-N 1 2 228.365 1.987 20 0 BDADLO C[C@H]1CCN(c2cc(N)nc[nH+]2)CCS1 ZINC000380276675 993321456 /nfs/dbraw/zinc/32/14/56/993321456.db2.gz DSOIZAOOKXSNIP-QMMMGPOBSA-N 1 2 224.333 1.391 20 0 BDADLO CC(C)[C@H](F)C(=O)OCCCc1c[nH+]cn1C ZINC001263510505 993352760 /nfs/dbraw/zinc/35/27/60/993352760.db2.gz FPXVPCXKEHBMCB-NSHDSACASA-N 1 2 242.294 1.890 20 0 BDADLO COc1ccc[nH+]c1NCCCn1cncn1 ZINC000381163458 993374702 /nfs/dbraw/zinc/37/47/02/993374702.db2.gz BCYNLYDSAWKRTR-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO CC(C)(COC(=O)C1CCC1)n1cc[nH+]c1 ZINC001263543417 993375923 /nfs/dbraw/zinc/37/59/23/993375923.db2.gz ATJAFWWAPPHLNL-UHFFFAOYSA-N 1 2 222.288 1.962 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2ccoc2)n1C ZINC000381269893 993383133 /nfs/dbraw/zinc/38/31/33/993383133.db2.gz VHSNOXVQLYAOTQ-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO CC(C)c1oncc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001263729877 993479850 /nfs/dbraw/zinc/47/98/50/993479850.db2.gz IRDZFRHPLQACKV-UHFFFAOYSA-N 1 2 248.286 1.494 20 0 BDADLO C=C=CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001263730172 993480282 /nfs/dbraw/zinc/48/02/82/993480282.db2.gz PWQNICCGJPKETF-UHFFFAOYSA-N 1 2 231.299 1.839 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001263755065 993490309 /nfs/dbraw/zinc/49/03/09/993490309.db2.gz DCOGDMFHYUVIQX-GHMZBOCLSA-N 1 2 235.331 1.467 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC1(C)C ZINC001263921679 993608504 /nfs/dbraw/zinc/60/85/04/993608504.db2.gz BKFWXYGVNSCNPF-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CC1CCCC1 ZINC001263974229 993633103 /nfs/dbraw/zinc/63/31/03/993633103.db2.gz RLAMLWMXCCZWSV-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC(C)[C@@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC000387291151 993704691 /nfs/dbraw/zinc/70/46/91/993704691.db2.gz IEIUIHPXNQVTDH-NSHDSACASA-N 1 2 223.320 1.576 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cncn2C)c2nccn21 ZINC000388382316 993731146 /nfs/dbraw/zinc/73/11/46/993731146.db2.gz RZQXFPGUTIVIOS-ONGXEEELSA-N 1 2 231.303 1.412 20 0 BDADLO CC(C)[C@@](C)(Nc1cccc[nH+]1)C(N)=O ZINC000389596948 993755651 /nfs/dbraw/zinc/75/56/51/993755651.db2.gz QGHQCLHOPKSNNN-LLVKDONJSA-N 1 2 207.277 1.394 20 0 BDADLO Cc1cccnc1NC[C@@H]1COCC[N@H+]1C ZINC000700168062 993824479 /nfs/dbraw/zinc/82/44/79/993824479.db2.gz NFOFUSAGWNGLIP-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1cccnc1NC[C@@H]1COCC[N@@H+]1C ZINC000700168062 993824483 /nfs/dbraw/zinc/82/44/83/993824483.db2.gz NFOFUSAGWNGLIP-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO Cn1c[nH+]cc1C1=CCC2(CC1)OCCO2 ZINC000700751105 993849055 /nfs/dbraw/zinc/84/90/55/993849055.db2.gz BHAFCKRMQXXYDM-UHFFFAOYSA-N 1 2 220.272 1.731 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@H]1CC12CCCCC2)C(F)F ZINC000724704521 994069295 /nfs/dbraw/zinc/06/92/95/994069295.db2.gz TXSJVMNGMLFGEJ-BDAKNGLRSA-N 1 2 246.301 1.808 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1(C)CC1 ZINC000724735098 994077158 /nfs/dbraw/zinc/07/71/58/994077158.db2.gz QLNMQJQSEILCJO-RNFRBKRXSA-N 1 2 220.263 1.274 20 0 BDADLO C[C@H]([NH2+]Cc1c(F)cncc1F)c1cn[nH]c1 ZINC001332886422 994379906 /nfs/dbraw/zinc/37/99/06/994379906.db2.gz PZDCUMKJELSXGS-ZETCQYMHSA-N 1 2 238.241 1.934 20 0 BDADLO CC(C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001290108915 994524728 /nfs/dbraw/zinc/52/47/28/994524728.db2.gz ZWBHHXLGZQONIC-UHFFFAOYSA-N 1 2 245.282 1.716 20 0 BDADLO CCc1nc(N[C@@H](C)C[S@](C)=O)cc[nH+]1 ZINC001333929059 994539481 /nfs/dbraw/zinc/53/94/81/994539481.db2.gz ZJJDKJYOVGHVSN-AYVTZFPOSA-N 1 2 227.333 1.218 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1C(F)(F)F ZINC001290855198 994566168 /nfs/dbraw/zinc/56/61/68/994566168.db2.gz SQVFHAYOIUTVLA-HTQZYQBOSA-N 1 2 247.220 1.198 20 0 BDADLO CC(=O)C1(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001334203421 994576080 /nfs/dbraw/zinc/57/60/80/994576080.db2.gz QYCIYHXAKCQYOT-UHFFFAOYSA-N 1 2 243.266 1.186 20 0 BDADLO C[C@@H]([NH2+]CC[NH3+])c1cc(C(=O)[O-])cs1 ZINC001593269000 994596245 /nfs/dbraw/zinc/59/62/45/994596245.db2.gz YLWMQMLTEKUCSJ-ZCFIWIBFSA-N 1 2 214.290 1.056 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(C)CC(F)(F)F ZINC001292064208 994597113 /nfs/dbraw/zinc/59/71/13/994597113.db2.gz JNQCCRXOWJYLCY-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(C)CC(F)(F)F ZINC001292064208 994597123 /nfs/dbraw/zinc/59/71/23/994597123.db2.gz JNQCCRXOWJYLCY-ZETCQYMHSA-N 1 2 224.226 1.101 20 0 BDADLO CSC(C)(C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001294065089 994677363 /nfs/dbraw/zinc/67/73/63/994677363.db2.gz ZGHSPOGSMAWRCX-UHFFFAOYSA-N 1 2 241.360 1.518 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CSC(F)F ZINC001294283281 994691913 /nfs/dbraw/zinc/69/19/13/994691913.db2.gz HVEMYWVKBXLTHB-UHFFFAOYSA-N 1 2 235.259 1.290 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC001335300437 994716841 /nfs/dbraw/zinc/71/68/41/994716841.db2.gz XMEAXLSHVRNWGS-HTQZYQBOSA-N 1 2 232.243 1.448 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)o1 ZINC001335300437 994716855 /nfs/dbraw/zinc/71/68/55/994716855.db2.gz XMEAXLSHVRNWGS-HTQZYQBOSA-N 1 2 232.243 1.448 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@@H](C)CO1 ZINC001339100869 995253002 /nfs/dbraw/zinc/25/30/02/995253002.db2.gz AAAVZVBAMNQQHO-LDYMZIIASA-N 1 2 234.299 1.484 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)OCc1ccccc1 ZINC001307772224 995454972 /nfs/dbraw/zinc/45/49/72/995454972.db2.gz UYOXUIIFXMWXJG-AAEUAGOBSA-N 1 2 249.310 1.185 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)OCc1ccccc1 ZINC001307772224 995454977 /nfs/dbraw/zinc/45/49/77/995454977.db2.gz UYOXUIIFXMWXJG-AAEUAGOBSA-N 1 2 249.310 1.185 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@](O)(C(F)F)C2)o1 ZINC001307780317 995457749 /nfs/dbraw/zinc/45/77/49/995457749.db2.gz QGABLROMEJDNOG-LDYMZIIASA-N 1 2 246.257 1.746 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@](O)(C(F)F)C2)o1 ZINC001307780317 995457756 /nfs/dbraw/zinc/45/77/56/995457756.db2.gz QGABLROMEJDNOG-LDYMZIIASA-N 1 2 246.257 1.746 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CCn2nccc2C1 ZINC001307956896 995510460 /nfs/dbraw/zinc/51/04/60/995510460.db2.gz BEINJOWPWBLAQZ-LBPRGKRZSA-N 1 2 223.320 1.106 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CCn2nccc2C1 ZINC001307956896 995510470 /nfs/dbraw/zinc/51/04/70/995510470.db2.gz BEINJOWPWBLAQZ-LBPRGKRZSA-N 1 2 223.320 1.106 20 0 BDADLO CC(C)=CC[N@@H+]1CCn2c(C)nnc2[C@H]1C ZINC001308178809 995590077 /nfs/dbraw/zinc/59/00/77/995590077.db2.gz ZXOIOQUIKYWOOI-SNVBAGLBSA-N 1 2 220.320 1.929 20 0 BDADLO CC(C)=CC[N@H+]1CCn2c(C)nnc2[C@H]1C ZINC001308178809 995590084 /nfs/dbraw/zinc/59/00/84/995590084.db2.gz ZXOIOQUIKYWOOI-SNVBAGLBSA-N 1 2 220.320 1.929 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000407947734 136207199 /nfs/dbraw/zinc/20/71/99/136207199.db2.gz DPTUYYINNBJRPX-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000407947734 136207200 /nfs/dbraw/zinc/20/72/00/136207200.db2.gz DPTUYYINNBJRPX-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CCC(n2cncn2)CC1 ZINC000340559651 398142728 /nfs/dbraw/zinc/14/27/28/398142728.db2.gz BUWUTDFNBATAQV-UHFFFAOYSA-N 1 2 246.318 1.147 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320191 398143294 /nfs/dbraw/zinc/14/32/94/398143294.db2.gz NQSGQSZXEARSOA-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320191 398143297 /nfs/dbraw/zinc/14/32/97/398143297.db2.gz NQSGQSZXEARSOA-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CCC(CC)(CNC(=O)c1c[nH+]c(C)[nH]1)OC ZINC000292549472 168325025 /nfs/dbraw/zinc/32/50/25/168325025.db2.gz MKQCEADSHSOGSZ-UHFFFAOYSA-N 1 2 239.319 1.653 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000649863920 398144823 /nfs/dbraw/zinc/14/48/23/398144823.db2.gz TVIBWBSWDCBQCE-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000649863920 398144829 /nfs/dbraw/zinc/14/48/29/398144829.db2.gz TVIBWBSWDCBQCE-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)C(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000580268777 346812277 /nfs/dbraw/zinc/81/22/77/346812277.db2.gz XJKBRNCPKQRHOB-UHFFFAOYSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)C(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000580268777 346812282 /nfs/dbraw/zinc/81/22/82/346812282.db2.gz XJKBRNCPKQRHOB-UHFFFAOYSA-N 1 2 223.320 1.893 20 0 BDADLO CCC(CC)(CO)CNc1cc[nH+]c(C)n1 ZINC000157599709 168328512 /nfs/dbraw/zinc/32/85/12/168328512.db2.gz FUOQOAIMYAINPS-UHFFFAOYSA-N 1 2 223.320 1.996 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cccnc1)C(C)C ZINC000063222280 349508913 /nfs/dbraw/zinc/50/89/13/349508913.db2.gz XRSZYUZCEBTHBI-GFCCVEGCSA-N 1 2 236.315 1.411 20 0 BDADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)CCS1 ZINC000379494416 398149054 /nfs/dbraw/zinc/14/90/54/398149054.db2.gz NETWKDKGOQKUKZ-JTQLQIEISA-N 1 2 238.356 1.906 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)n(C)n1 ZINC000334942969 178008138 /nfs/dbraw/zinc/00/81/38/178008138.db2.gz FMASGKQZTXFRPR-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)n(C)n1 ZINC000334942969 178008141 /nfs/dbraw/zinc/00/81/41/178008141.db2.gz FMASGKQZTXFRPR-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)ncn1 ZINC000291995271 178008491 /nfs/dbraw/zinc/00/84/91/178008491.db2.gz AVPLYVBNXIGSAC-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)ncn1 ZINC000291995271 178008493 /nfs/dbraw/zinc/00/84/93/178008493.db2.gz AVPLYVBNXIGSAC-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)no1 ZINC000044296447 178026114 /nfs/dbraw/zinc/02/61/14/178026114.db2.gz GXZLSRADSDRXEE-UHFFFAOYSA-N 1 2 245.282 1.372 20 0 BDADLO CCCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454187807 398170315 /nfs/dbraw/zinc/17/03/15/398170315.db2.gz MXSMQWQULPPHEP-UWVGGRQHSA-N 1 2 236.319 1.988 20 0 BDADLO CCN1OC[C@H]([N@H+](C)Cc2ccccc2C)C1=O ZINC000647955294 398172447 /nfs/dbraw/zinc/17/24/47/398172447.db2.gz MTJVOLRNCXWPDC-ZDUSSCGKSA-N 1 2 248.326 1.589 20 0 BDADLO CCN1OC[C@H]([N@@H+](C)Cc2ccccc2C)C1=O ZINC000647955294 398172452 /nfs/dbraw/zinc/17/24/52/398172452.db2.gz MTJVOLRNCXWPDC-ZDUSSCGKSA-N 1 2 248.326 1.589 20 0 BDADLO Cc1cc(CO)oc1C(=O)NCc1[nH]c[nH+]c1C ZINC000339229679 178048216 /nfs/dbraw/zinc/04/82/16/178048216.db2.gz QNFKPCQRVSPQEB-UHFFFAOYSA-N 1 2 249.270 1.042 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907733 398180994 /nfs/dbraw/zinc/18/09/94/398180994.db2.gz YUUJPGZYTHFGSB-SECBINFHSA-N 1 2 228.246 1.046 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907733 398180996 /nfs/dbraw/zinc/18/09/96/398180996.db2.gz YUUJPGZYTHFGSB-SECBINFHSA-N 1 2 228.246 1.046 20 0 BDADLO CCC(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000005385447 168337182 /nfs/dbraw/zinc/33/71/82/168337182.db2.gz IIJLOQLGQXRIIH-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CCC1CC1 ZINC000649883437 398162041 /nfs/dbraw/zinc/16/20/41/398162041.db2.gz RYHSTSDESNGJBN-CYBMUJFWSA-N 1 2 235.331 1.594 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CCC1CC1 ZINC000649883437 398162046 /nfs/dbraw/zinc/16/20/46/398162046.db2.gz RYHSTSDESNGJBN-CYBMUJFWSA-N 1 2 235.331 1.594 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907945 398182782 /nfs/dbraw/zinc/18/27/82/398182782.db2.gz COWJUEHCDPLAET-APPZFPTMSA-N 1 2 243.261 1.002 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907945 398182784 /nfs/dbraw/zinc/18/27/84/398182784.db2.gz COWJUEHCDPLAET-APPZFPTMSA-N 1 2 243.261 1.002 20 0 BDADLO CC1(C)C[N@H+](Cc2ccccn2)[C@@H]2COC[C@H]2O1 ZINC000649910985 398186291 /nfs/dbraw/zinc/18/62/91/398186291.db2.gz KDAMACZUEJGFLU-CHWSQXEVSA-N 1 2 248.326 1.460 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccccn2)[C@@H]2COC[C@H]2O1 ZINC000649910985 398186297 /nfs/dbraw/zinc/18/62/97/398186297.db2.gz KDAMACZUEJGFLU-CHWSQXEVSA-N 1 2 248.326 1.460 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000162885891 178084890 /nfs/dbraw/zinc/08/48/90/178084890.db2.gz DTGWOECHPGHEIP-ZDUSSCGKSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000162885891 178084893 /nfs/dbraw/zinc/08/48/93/178084893.db2.gz DTGWOECHPGHEIP-ZDUSSCGKSA-N 1 2 239.290 1.327 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000649942986 398193056 /nfs/dbraw/zinc/19/30/56/398193056.db2.gz XXWQVFYLROHMOM-TUAOUCFPSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000649942986 398193063 /nfs/dbraw/zinc/19/30/63/398193063.db2.gz XXWQVFYLROHMOM-TUAOUCFPSA-N 1 2 242.338 1.725 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000649943021 398193574 /nfs/dbraw/zinc/19/35/74/398193574.db2.gz RDMYHBLRUAVEMU-OPRDCNLKSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000649943021 398193576 /nfs/dbraw/zinc/19/35/76/398193576.db2.gz RDMYHBLRUAVEMU-OPRDCNLKSA-N 1 2 216.300 1.333 20 0 BDADLO Cc1cc(N(C)[C@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000116261858 178102851 /nfs/dbraw/zinc/10/28/51/178102851.db2.gz HBBFXQIIEGACJC-NSHDSACASA-N 1 2 233.315 1.888 20 0 BDADLO Cc1cc(N)nc(SCCOCC(F)F)[nH+]1 ZINC000283884828 178108950 /nfs/dbraw/zinc/10/89/50/178108950.db2.gz IKQLMUJBAVDZMT-UHFFFAOYSA-N 1 2 249.286 1.741 20 0 BDADLO Cc1cc(N)nc(SCc2cnns2)[nH+]1 ZINC000287521384 178109523 /nfs/dbraw/zinc/10/95/23/178109523.db2.gz MGGFVBYNZQBCMR-UHFFFAOYSA-N 1 2 239.329 1.511 20 0 BDADLO Cc1cc(N)nc(SCC[C@H](C)O)[nH+]1 ZINC000133857350 178110114 /nfs/dbraw/zinc/11/01/14/178110114.db2.gz ANCOHHQMYBPQKU-ZETCQYMHSA-N 1 2 213.306 1.230 20 0 BDADLO Cc1nnc(CSc2nc(N)cc(C)[nH+]2)o1 ZINC000024835552 178110246 /nfs/dbraw/zinc/11/02/46/178110246.db2.gz IIJUFDBPJBFAOI-UHFFFAOYSA-N 1 2 237.288 1.351 20 0 BDADLO Cc1cc(N2CC(C(C)(C)O)C2)nc(C2CC2)[nH+]1 ZINC000275465393 178110554 /nfs/dbraw/zinc/11/05/54/178110554.db2.gz HWCATLFJIJOYBX-UHFFFAOYSA-N 1 2 247.342 1.870 20 0 BDADLO CC(C)(C)c1nc(NCC2=CCOCC2)cc[nH+]1 ZINC000649397089 398199114 /nfs/dbraw/zinc/19/91/14/398199114.db2.gz ZURSUKPJGRCEQR-UHFFFAOYSA-N 1 2 247.342 1.955 20 0 BDADLO Cc1cc(N2CCC[C@@H]2C(N)=O)nc(C(C)C)[nH+]1 ZINC000301055937 178114404 /nfs/dbraw/zinc/11/44/04/178114404.db2.gz DUNJOGKOWVFTBX-SNVBAGLBSA-N 1 2 248.330 1.363 20 0 BDADLO Cc1cc(NC(=O)NCC2(C)COC2)cc[nH+]1 ZINC000119726361 178138570 /nfs/dbraw/zinc/13/85/70/178138570.db2.gz VWERDWMKAAJJAZ-UHFFFAOYSA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cc(N2CC[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000061707337 178118118 /nfs/dbraw/zinc/11/81/18/178118118.db2.gz BYJFCIFSIHTXSM-SNVBAGLBSA-N 1 2 221.304 1.479 20 0 BDADLO Cc1cc(NC(=O)NC2(CO)CC2)cc[nH+]1 ZINC000119174936 178138659 /nfs/dbraw/zinc/13/86/59/178138659.db2.gz IJEPIQSKQSMQJM-UHFFFAOYSA-N 1 2 221.260 1.036 20 0 BDADLO C[C@@H]1C[C@H](C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000572863393 398202790 /nfs/dbraw/zinc/20/27/90/398202790.db2.gz FCITWBRDRYMHHJ-VXGBXAGGSA-N 1 2 249.358 1.857 20 0 BDADLO Cc1cc(N2C[C@H](O)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000351504118 178122659 /nfs/dbraw/zinc/12/26/59/178122659.db2.gz ZSKVGVIIVUGXJW-ONGXEEELSA-N 1 2 235.331 1.725 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCCC3(CC3)C2)on1 ZINC000187005030 178130227 /nfs/dbraw/zinc/13/02/27/178130227.db2.gz RFWUUUYUIWDPSK-UHFFFAOYSA-N 1 2 249.314 1.798 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCCC3(CC3)C2)on1 ZINC000187005030 178130230 /nfs/dbraw/zinc/13/02/30/178130230.db2.gz RFWUUUYUIWDPSK-UHFFFAOYSA-N 1 2 249.314 1.798 20 0 BDADLO Cc1cc(NC(=O)COc2cc[nH+]cc2)n(C)n1 ZINC000292351627 178131737 /nfs/dbraw/zinc/13/17/37/178131737.db2.gz DSQKBRDFGVUKSM-UHFFFAOYSA-N 1 2 246.270 1.141 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]2CCCC(=O)N2)cc[nH+]1 ZINC000289300186 178134378 /nfs/dbraw/zinc/13/43/78/178134378.db2.gz SABGOIHITKLHSS-JTQLQIEISA-N 1 2 247.298 1.387 20 0 BDADLO Cc1cc(NC(=O)NCCOCC2CC2)cc[nH+]1 ZINC000270978922 178138300 /nfs/dbraw/zinc/13/83/00/178138300.db2.gz BEIYELXPCVTJCY-UHFFFAOYSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)[C@H](C)CO)cc[nH+]1 ZINC000271061971 178140360 /nfs/dbraw/zinc/14/03/60/178140360.db2.gz KVTHEMJHXHAKSW-SCZZXKLOSA-N 1 2 237.303 1.528 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CCCO2)cc[nH+]1 ZINC000074753634 178140900 /nfs/dbraw/zinc/14/09/00/178140900.db2.gz DOODHFKBWWNLOR-NSHDSACASA-N 1 2 235.287 1.691 20 0 BDADLO CCc1cc(C)nc(NCc2[nH+]ccn2CC)n1 ZINC000649412325 398214087 /nfs/dbraw/zinc/21/40/87/398214087.db2.gz SZCIMEDWJHXSOO-UHFFFAOYSA-N 1 2 245.330 1.598 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CCOC2)cc[nH+]1 ZINC000119772016 178141389 /nfs/dbraw/zinc/14/13/89/178141389.db2.gz UVBOYSITZOKSLW-SNVBAGLBSA-N 1 2 235.287 1.548 20 0 BDADLO CCC(F)(F)CNc1nc[nH+]c(N)c1Cl ZINC000624560441 398215531 /nfs/dbraw/zinc/21/55/31/398215531.db2.gz DTWKDGZQSNILMC-UHFFFAOYSA-N 1 2 236.653 1.591 20 0 BDADLO CCC(F)(F)CNc1[nH+]cnc(N)c1Cl ZINC000624560441 398215532 /nfs/dbraw/zinc/21/55/32/398215532.db2.gz DTWKDGZQSNILMC-UHFFFAOYSA-N 1 2 236.653 1.591 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCCCC1 ZINC000299689646 398216142 /nfs/dbraw/zinc/21/61/42/398216142.db2.gz VVRAMLOOABHAPI-UHFFFAOYSA-N 1 2 221.304 1.676 20 0 BDADLO Cc1cc(NCC(=O)N(C)C)nc(C2CC2)[nH+]1 ZINC000116259856 178155201 /nfs/dbraw/zinc/15/52/01/178155201.db2.gz JAVHHRWYHJNCSB-UHFFFAOYSA-N 1 2 234.303 1.163 20 0 BDADLO Cc1cc(NCC(C)(C)C(N)=O)nc(C2CC2)[nH+]1 ZINC000265289882 178157328 /nfs/dbraw/zinc/15/73/28/178157328.db2.gz AYQTWVXXFLSZPF-UHFFFAOYSA-N 1 2 248.330 1.586 20 0 BDADLO Cc1cc(NCCCn2cc[nH+]c2)ncn1 ZINC000040727111 178160110 /nfs/dbraw/zinc/16/01/10/178160110.db2.gz ZHMOVIVCNYPHJG-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO Cc1cc(NCCc2nc(C(C)C)no2)nc[nH+]1 ZINC000301221600 178163772 /nfs/dbraw/zinc/16/37/72/178163772.db2.gz BTJSJWYWRMYWCW-UHFFFAOYSA-N 1 2 247.302 1.946 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000343403147 365596562 /nfs/dbraw/zinc/59/65/62/365596562.db2.gz ZFQOTASUOJMXEO-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCOC1 ZINC000343403147 365596565 /nfs/dbraw/zinc/59/65/65/365596565.db2.gz ZFQOTASUOJMXEO-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000429789903 398225446 /nfs/dbraw/zinc/22/54/46/398225446.db2.gz SBRZAQUGXSYNLX-GHMZBOCLSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cc(NC[C@H](O)C2CC2)nc(C2CC2)[nH+]1 ZINC000265365531 178169248 /nfs/dbraw/zinc/16/92/48/178169248.db2.gz NDUDMMRATBPEBB-NSHDSACASA-N 1 2 233.315 1.845 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@@H]23)nc[nH+]1 ZINC000328790160 178181053 /nfs/dbraw/zinc/18/10/53/178181053.db2.gz LDXZSVNEWDWPBC-MNOVXSKESA-N 1 2 246.314 1.350 20 0 BDADLO Cc1ccc(NCCNc2cccc[nH+]2)nn1 ZINC000605432921 343986579 /nfs/dbraw/zinc/98/65/79/343986579.db2.gz LZKPINPDXJTAFM-UHFFFAOYSA-N 1 2 229.287 1.126 20 0 BDADLO Cc1cc(N[C@H](C)Cn2cccn2)nc[nH+]1 ZINC000042541559 178185711 /nfs/dbraw/zinc/18/57/11/178185711.db2.gz DLIBYFFJDKRRMO-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO Cc1cc(N[C@H](C)c2nc[nH]n2)nc(C2CC2)[nH+]1 ZINC000182819321 178187581 /nfs/dbraw/zinc/18/75/81/178187581.db2.gz TYGXWSAOVTUGHD-MRVPVSSYSA-N 1 2 244.302 1.954 20 0 BDADLO Cc1cc(N[C@H](C)c2nnc[nH]2)nc(C2CC2)[nH+]1 ZINC000182819321 178187584 /nfs/dbraw/zinc/18/75/84/178187584.db2.gz TYGXWSAOVTUGHD-MRVPVSSYSA-N 1 2 244.302 1.954 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCCc3ncccc32)n1 ZINC000631603215 361740286 /nfs/dbraw/zinc/74/02/86/361740286.db2.gz OJFZGXOKNBKIIW-GFCCVEGCSA-N 1 2 243.314 1.377 20 0 BDADLO CN(Cc1nccs1)c1cc(CO)cc[nH+]1 ZINC000387240790 398229723 /nfs/dbraw/zinc/22/97/23/398229723.db2.gz QMSRBKHRMQENTJ-UHFFFAOYSA-N 1 2 235.312 1.667 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)C[C@H](CC)O1 ZINC000421385849 192326470 /nfs/dbraw/zinc/32/64/70/192326470.db2.gz GRPMEIJJPMMDKT-BETUJISGSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)C[C@H](CC)O1 ZINC000421385849 192326472 /nfs/dbraw/zinc/32/64/72/192326472.db2.gz GRPMEIJJPMMDKT-BETUJISGSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000650078722 398232767 /nfs/dbraw/zinc/23/27/67/398232767.db2.gz RRMCAPJICPBBGC-JFGNBEQYSA-N 1 2 233.315 1.360 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC000276521618 538933056 /nfs/dbraw/zinc/93/30/56/538933056.db2.gz ZYJFZUXPZVVSDE-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC000276521618 538933058 /nfs/dbraw/zinc/93/30/58/538933058.db2.gz ZYJFZUXPZVVSDE-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO C[C@H](CC(=O)N1CC[C@H](F)C1)n1cc[nH+]c1 ZINC000650064636 398230372 /nfs/dbraw/zinc/23/03/72/398230372.db2.gz IWCWWGDOXXKMJB-ZJUUUORDSA-N 1 2 225.267 1.405 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC000279806209 538936394 /nfs/dbraw/zinc/93/63/94/538936394.db2.gz FHLQEMHTYCBWRY-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC000279806209 538936396 /nfs/dbraw/zinc/93/63/96/538936396.db2.gz FHLQEMHTYCBWRY-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280678748 538937571 /nfs/dbraw/zinc/93/75/71/538937571.db2.gz USCYYQBERZQYLZ-LBPRGKRZSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280678748 538937572 /nfs/dbraw/zinc/93/75/72/538937572.db2.gz USCYYQBERZQYLZ-LBPRGKRZSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000280948516 538938449 /nfs/dbraw/zinc/93/84/49/538938449.db2.gz RJJVZKCQLFVFIL-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000280948516 538938451 /nfs/dbraw/zinc/93/84/51/538938451.db2.gz RJJVZKCQLFVFIL-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO CCC(CC)C[NH2+][C@@H](COC)C(=O)OC ZINC000308945500 168362529 /nfs/dbraw/zinc/36/25/29/168362529.db2.gz NOIUIKIXHJGKDG-JTQLQIEISA-N 1 2 217.309 1.200 20 0 BDADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ncc[nH]1 ZINC000286263013 538943838 /nfs/dbraw/zinc/94/38/38/538943838.db2.gz VDQCEEXSEUAJBW-UWVGGRQHSA-N 1 2 235.287 1.777 20 0 BDADLO C[C@H](N[C@@H](CCO)c1ccco1)c1[nH]cc[nH+]1 ZINC000286263013 538943839 /nfs/dbraw/zinc/94/38/39/538943839.db2.gz VDQCEEXSEUAJBW-UWVGGRQHSA-N 1 2 235.287 1.777 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280609528 178315021 /nfs/dbraw/zinc/31/50/21/178315021.db2.gz QGOQQTMOIAWZCH-SNVBAGLBSA-N 1 2 232.287 1.338 20 0 BDADLO Cc1nc(N[C@H](CO)CCC(C)C)cc[nH+]1 ZINC000624530625 343996507 /nfs/dbraw/zinc/99/65/07/343996507.db2.gz PNSYVSDRPCJZTR-NSHDSACASA-N 1 2 223.320 1.994 20 0 BDADLO CC(C)CC[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000624530750 343996634 /nfs/dbraw/zinc/99/66/34/343996634.db2.gz UFLKRVDQJWRHCL-GFCCVEGCSA-N 1 2 249.358 1.985 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC(C)(C)C ZINC000290611163 538947002 /nfs/dbraw/zinc/94/70/02/538947002.db2.gz JNROAHMIIZRERG-UHFFFAOYSA-N 1 2 210.281 1.018 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1CCCC1 ZINC000290719035 538947076 /nfs/dbraw/zinc/94/70/76/538947076.db2.gz YNDINQQYBPZQLR-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO Cc1cccnc1C(=O)NCc1c[nH+]cn1C ZINC000291392088 538947794 /nfs/dbraw/zinc/94/77/94/538947794.db2.gz HWMCWIKPKKWKBF-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC[C@@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000291547301 538948129 /nfs/dbraw/zinc/94/81/29/538948129.db2.gz YHDDMLDJPSAEMI-SECBINFHSA-N 1 2 209.293 1.473 20 0 BDADLO CCC[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291533398 538948146 /nfs/dbraw/zinc/94/81/46/538948146.db2.gz WMKHZXDBVIGLMP-VIFPVBQESA-N 1 2 209.293 1.473 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)o1 ZINC000048375660 178379195 /nfs/dbraw/zinc/37/91/95/178379195.db2.gz OSMJHLMUFOQXPN-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000602488074 349569180 /nfs/dbraw/zinc/56/91/80/349569180.db2.gz ZLZRQCVXSBHFMY-CMPLNLGQSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000602488074 349569185 /nfs/dbraw/zinc/56/91/85/349569185.db2.gz ZLZRQCVXSBHFMY-CMPLNLGQSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(F)F ZINC000179616004 538955758 /nfs/dbraw/zinc/95/57/58/538955758.db2.gz UQOSGBVXRNBJKS-UHFFFAOYSA-N 1 2 236.306 1.782 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCOC1CCC1)C1CC1 ZINC000561869526 323008307 /nfs/dbraw/zinc/00/83/07/323008307.db2.gz FZKXZVUUJUQJEN-ZDUSSCGKSA-N 1 2 241.331 1.487 20 0 BDADLO CCc1nn(C)cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000179601830 538955589 /nfs/dbraw/zinc/95/55/89/538955589.db2.gz CVDHKTHBBIXYOW-UHFFFAOYSA-N 1 2 247.346 1.348 20 0 BDADLO CCc1nn(C)cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000179601830 538955590 /nfs/dbraw/zinc/95/55/90/538955590.db2.gz CVDHKTHBBIXYOW-UHFFFAOYSA-N 1 2 247.346 1.348 20 0 BDADLO CN1C[C@H]([N@H+](C)Cc2nccs2)CCC1=O ZINC000580283208 346845960 /nfs/dbraw/zinc/84/59/60/346845960.db2.gz YKOWNWHQYXYBCC-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO CN1C[C@H]([N@@H+](C)Cc2nccs2)CCC1=O ZINC000580283208 346845965 /nfs/dbraw/zinc/84/59/65/346845965.db2.gz YKOWNWHQYXYBCC-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@]1(C)CCCO1 ZINC000378864754 346848893 /nfs/dbraw/zinc/84/88/93/346848893.db2.gz YATYNLLDROVCOL-GXSJLCMTSA-N 1 2 209.293 1.457 20 0 BDADLO CCC(CC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000278630582 168378027 /nfs/dbraw/zinc/37/80/27/168378027.db2.gz NDOBQUPIVQCDQF-UHFFFAOYSA-N 1 2 209.293 1.565 20 0 BDADLO CCC(CC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000278630582 168378028 /nfs/dbraw/zinc/37/80/28/168378028.db2.gz NDOBQUPIVQCDQF-UHFFFAOYSA-N 1 2 209.293 1.565 20 0 BDADLO CC[C@H](NC(=O)CCc1cn[nH]c1)c1[nH]cc[nH+]1 ZINC000629982204 361829023 /nfs/dbraw/zinc/82/90/23/361829023.db2.gz VGFUSMMSPLIZPX-JTQLQIEISA-N 1 2 247.302 1.333 20 0 BDADLO CC[C@@H](NC(=O)CCc1cn[nH]c1)c1[nH]cc[nH+]1 ZINC000629982206 361829061 /nfs/dbraw/zinc/82/90/61/361829061.db2.gz VGFUSMMSPLIZPX-SNVBAGLBSA-N 1 2 247.302 1.333 20 0 BDADLO CCC(CC)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000292299667 168378928 /nfs/dbraw/zinc/37/89/28/168378928.db2.gz HRNMVPWIZOVSEN-UHFFFAOYSA-N 1 2 236.319 1.597 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC000188996840 346854946 /nfs/dbraw/zinc/85/49/46/346854946.db2.gz XWQFKYNOPAZMGA-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC000188996840 346854948 /nfs/dbraw/zinc/85/49/48/346854948.db2.gz XWQFKYNOPAZMGA-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO CCCC[C@@H](NCc1[nH]cc(C)[nH+]1)C(=O)OC ZINC000600151340 342691639 /nfs/dbraw/zinc/69/16/39/342691639.db2.gz LRUCMSSYKDTQMD-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO COC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OC ZINC000600154638 342692416 /nfs/dbraw/zinc/69/24/16/342692416.db2.gz FXBARACOSGZKGJ-QTKMDUPCSA-N 1 2 241.331 1.199 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cnc(C)o1 ZINC000600158132 342692693 /nfs/dbraw/zinc/69/26/93/342692693.db2.gz HPBBILXXOXYEAQ-SECBINFHSA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cnc(C)o1 ZINC000600158132 342692695 /nfs/dbraw/zinc/69/26/95/342692695.db2.gz HPBBILXXOXYEAQ-SECBINFHSA-N 1 2 240.303 1.757 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCCC1 ZINC000335124852 398280073 /nfs/dbraw/zinc/28/00/73/398280073.db2.gz WKJGYXPSXNPNLF-GFCCVEGCSA-N 1 2 247.342 1.848 20 0 BDADLO CCC(C)(CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183826719 538967805 /nfs/dbraw/zinc/96/78/05/538967805.db2.gz HXCRCQLUAJWWHI-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO Cc1ccc(O)c(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000530489797 342775248 /nfs/dbraw/zinc/77/52/48/342775248.db2.gz LKTYDFYTRGUPFK-UHFFFAOYSA-N 1 2 246.270 1.010 20 0 BDADLO C[NH2+]Cc1noc(/C=C2\CC[C@H](C)C2)n1 ZINC000309651304 342776192 /nfs/dbraw/zinc/77/61/92/342776192.db2.gz SVQODFHXMIUYKT-CYXIBPNKSA-N 1 2 207.277 1.992 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC1CSC1 ZINC000616400445 342783682 /nfs/dbraw/zinc/78/36/82/342783682.db2.gz LKVJEAMVQVWOBY-UHFFFAOYSA-N 1 2 239.344 1.143 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683216 398284664 /nfs/dbraw/zinc/28/46/64/398284664.db2.gz MTPKGPOEXFPXAG-SNVBAGLBSA-N 1 2 245.273 1.889 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347683216 398284666 /nfs/dbraw/zinc/28/46/66/398284666.db2.gz MTPKGPOEXFPXAG-SNVBAGLBSA-N 1 2 245.273 1.889 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CC(C)(O)C3)n2c1 ZINC000639254002 398285103 /nfs/dbraw/zinc/28/51/03/398285103.db2.gz VZRBRHJOZRMXTR-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO CCc1cc(N[C@@H]2CC(=O)N(CC)C2)nc[nH+]1 ZINC000391637638 398286413 /nfs/dbraw/zinc/28/64/13/398286413.db2.gz PFFFVDAZAXYVKC-SNVBAGLBSA-N 1 2 234.303 1.072 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC12CCCC2 ZINC000649492423 398290441 /nfs/dbraw/zinc/29/04/41/398290441.db2.gz USJOUEFSJPLEBG-UHFFFAOYSA-N 1 2 248.330 1.611 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000624757004 342825414 /nfs/dbraw/zinc/82/54/14/342825414.db2.gz KBVTYRXBFKSVGK-JGZJWPJOSA-N 1 2 248.330 1.888 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624757004 342825416 /nfs/dbraw/zinc/82/54/16/342825416.db2.gz KBVTYRXBFKSVGK-JGZJWPJOSA-N 1 2 248.330 1.888 20 0 BDADLO CCN1CC[N@H+](Cc2cc(C)cc(C)c2)CC1=O ZINC000348812541 136239232 /nfs/dbraw/zinc/23/92/32/136239232.db2.gz FEXJRXZOIOYMKO-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO CCN1CC[N@@H+](Cc2cc(C)cc(C)c2)CC1=O ZINC000348812541 136239233 /nfs/dbraw/zinc/23/92/33/136239233.db2.gz FEXJRXZOIOYMKO-UHFFFAOYSA-N 1 2 246.354 1.968 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1C[C@@H](OC)C1 ZINC000624757090 342825538 /nfs/dbraw/zinc/82/55/38/342825538.db2.gz LVRGVQGEXWXROT-AOOOYVTPSA-N 1 2 222.288 1.927 20 0 BDADLO c1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000624673551 342817282 /nfs/dbraw/zinc/81/72/82/342817282.db2.gz LEICSNJQTIFGPP-NWDGAFQWSA-N 1 2 245.326 1.755 20 0 BDADLO Cc1nc(N[C@H]2CO[C@@H](C3CC3)C2)cc[nH+]1 ZINC000624674125 342817307 /nfs/dbraw/zinc/81/73/07/342817307.db2.gz VBLWCSOVDCVQRI-GHMZBOCLSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc[nH+]1 ZINC000624674351 342817509 /nfs/dbraw/zinc/81/75/09/342817509.db2.gz YSKIVVQSRJOGPP-QWRGUYRKSA-N 1 2 219.288 1.764 20 0 BDADLO COCCn1cc(-c2c[nH+]c3n2CCCC3)cn1 ZINC000630053980 361918757 /nfs/dbraw/zinc/91/87/57/361918757.db2.gz AMMLJOIWAPJNSM-UHFFFAOYSA-N 1 2 246.314 1.729 20 0 BDADLO O=c1[nH]cccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000624702995 342819948 /nfs/dbraw/zinc/81/99/48/342819948.db2.gz COBGWZFYWRXRIS-UHFFFAOYSA-N 1 2 242.282 1.489 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000624688500 342820228 /nfs/dbraw/zinc/82/02/28/342820228.db2.gz STZJSVDSMIRWFC-AOOOYVTPSA-N 1 2 246.314 1.473 20 0 BDADLO CN(C[C@H]1C[C@@H](O)C1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000624689296 342820566 /nfs/dbraw/zinc/82/05/66/342820566.db2.gz XUFXDSKTFVHXIR-PHIMTYICSA-N 1 2 249.358 1.981 20 0 BDADLO Cc1c(-c2c[nH+]c3n2CCCC3)cnn1C ZINC000630053530 361923389 /nfs/dbraw/zinc/92/33/89/361923389.db2.gz VGVBKVRQDHXUSS-UHFFFAOYSA-N 1 2 216.288 1.928 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cncs1 ZINC000335464436 398289402 /nfs/dbraw/zinc/28/94/02/398289402.db2.gz CDPKLEDKUXNKSW-BJOHPYRUSA-N 1 2 244.385 1.486 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cncs1 ZINC000335464436 398289404 /nfs/dbraw/zinc/28/94/04/398289404.db2.gz CDPKLEDKUXNKSW-BJOHPYRUSA-N 1 2 244.385 1.486 20 0 BDADLO CC(F)(F)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000583340736 342826043 /nfs/dbraw/zinc/82/60/43/342826043.db2.gz RWWYBOXZSSIHTB-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccnc2C)o1 ZINC000380972402 538993997 /nfs/dbraw/zinc/99/39/97/538993997.db2.gz ATUIODGXAUTGTH-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCN1CC[N@H+](CCOCCC(C)C)CC1=O ZINC000348818376 136239782 /nfs/dbraw/zinc/23/97/82/136239782.db2.gz SIQDCMHNKIOYHJ-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO CCN1CC[N@@H+](CCOCCC(C)C)CC1=O ZINC000348818376 136239783 /nfs/dbraw/zinc/23/97/83/136239783.db2.gz SIQDCMHNKIOYHJ-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC000188874854 538980166 /nfs/dbraw/zinc/98/01/66/538980166.db2.gz CYWDWXBBFLWHNO-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC000188874854 538980167 /nfs/dbraw/zinc/98/01/67/538980167.db2.gz CYWDWXBBFLWHNO-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO C[C@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CO1 ZINC000401435602 259322510 /nfs/dbraw/zinc/32/25/10/259322510.db2.gz YQBUNPJYUVVHPO-NTSWFWBYSA-N 1 2 228.683 1.302 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)CO1 ZINC000401435602 259322512 /nfs/dbraw/zinc/32/25/12/259322512.db2.gz YQBUNPJYUVVHPO-NTSWFWBYSA-N 1 2 228.683 1.302 20 0 BDADLO COc1ccc(N[C@@H](C)c2cnn(C)c2)[nH+]c1 ZINC000382502253 539010034 /nfs/dbraw/zinc/01/00/34/539010034.db2.gz SLRBVVKBTOZARZ-VIFPVBQESA-N 1 2 232.287 1.997 20 0 BDADLO C[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000335628590 136241316 /nfs/dbraw/zinc/24/13/16/136241316.db2.gz NLJOJISOFAAYBB-ZCFIWIBFSA-N 1 2 245.204 1.831 20 0 BDADLO CCc1cc(N[C@H](C)c2ncn(C)n2)nc[nH+]1 ZINC000392001492 539027715 /nfs/dbraw/zinc/02/77/15/539027715.db2.gz ZKFBRHQTDXHBBH-MRVPVSSYSA-N 1 2 232.291 1.341 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(O)cc1)c1ncn(C)n1 ZINC000391830691 539027989 /nfs/dbraw/zinc/02/79/89/539027989.db2.gz GVABRBCISDTTLH-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCCOCC1 ZINC000075675083 342852199 /nfs/dbraw/zinc/85/21/99/342852199.db2.gz JZINFNDCMWESNA-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1cnccc1C[N@H+]1CCCOCC1 ZINC000075675083 342852202 /nfs/dbraw/zinc/85/22/02/342852202.db2.gz JZINFNDCMWESNA-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000348877936 136242828 /nfs/dbraw/zinc/24/28/28/136242828.db2.gz POUMVCKBAFMKSS-VIFPVBQESA-N 1 2 245.273 1.779 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000348877936 136242829 /nfs/dbraw/zinc/24/28/29/136242829.db2.gz POUMVCKBAFMKSS-VIFPVBQESA-N 1 2 245.273 1.779 20 0 BDADLO C[C@H](Cc1ccsc1)NC(=O)Cn1cc[nH+]c1 ZINC000569539106 398305793 /nfs/dbraw/zinc/30/57/93/398305793.db2.gz JXLOSMXRSBIVEO-SNVBAGLBSA-N 1 2 249.339 1.692 20 0 BDADLO CCC(C)(C)CNc1nc[nH+]c(N)c1OC ZINC000233046579 342894917 /nfs/dbraw/zinc/89/49/17/342894917.db2.gz AJHFKKJANFKPTA-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO CCC(C)(C)CNc1[nH+]cnc(N)c1OC ZINC000233046579 342894918 /nfs/dbraw/zinc/89/49/18/342894918.db2.gz AJHFKKJANFKPTA-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000351355478 136245151 /nfs/dbraw/zinc/24/51/51/136245151.db2.gz SHQCWHYSTTVXHB-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@H]1CCC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631291620 342897728 /nfs/dbraw/zinc/89/77/28/342897728.db2.gz UXRNKFYHLUJHOD-UWVGGRQHSA-N 1 2 235.335 1.253 20 0 BDADLO CC[C@H]1CCC[C@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631291620 342897729 /nfs/dbraw/zinc/89/77/29/342897729.db2.gz UXRNKFYHLUJHOD-UWVGGRQHSA-N 1 2 235.335 1.253 20 0 BDADLO Cc1nc(C[NH2+]CC(=O)NC(C)C)cs1 ZINC000035136159 342883619 /nfs/dbraw/zinc/88/36/19/342883619.db2.gz YITMIAPTMANCFX-UHFFFAOYSA-N 1 2 227.333 1.066 20 0 BDADLO CN(CCC(F)(F)F)Cc1[nH+]ccn1C ZINC000096981840 398314032 /nfs/dbraw/zinc/31/40/32/398314032.db2.gz QOGIDDQAVATBIB-UHFFFAOYSA-N 1 2 221.226 1.804 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1OC ZINC000037303287 342926920 /nfs/dbraw/zinc/92/69/20/342926920.db2.gz OPDJPHBHUDQVBZ-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO CCOc1ccccc1C[N@H+](C)CC(=O)NC ZINC000053148283 488186646 /nfs/dbraw/zinc/18/66/46/488186646.db2.gz RQXCXLZAQCDKNT-UHFFFAOYSA-N 1 2 236.315 1.263 20 0 BDADLO CCOc1ccccc1C[N@@H+](C)CC(=O)NC ZINC000053148283 488186651 /nfs/dbraw/zinc/18/66/51/488186651.db2.gz RQXCXLZAQCDKNT-UHFFFAOYSA-N 1 2 236.315 1.263 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)CCO1 ZINC000045752938 342916145 /nfs/dbraw/zinc/91/61/45/342916145.db2.gz AKYYVLRRMHTBTJ-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)CCO1 ZINC000045752938 342916146 /nfs/dbraw/zinc/91/61/46/342916146.db2.gz AKYYVLRRMHTBTJ-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000602633266 349649862 /nfs/dbraw/zinc/64/98/62/349649862.db2.gz FTMHPUWVXQIRTP-CMPLNLGQSA-N 1 2 248.326 1.480 20 0 BDADLO CC(=O)CCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000351654784 136249574 /nfs/dbraw/zinc/24/95/74/136249574.db2.gz FGGOAQNZRVRQBN-UHFFFAOYSA-N 1 2 248.286 1.306 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493306274 529452703 /nfs/dbraw/zinc/45/27/03/529452703.db2.gz RQSQBAQMTCKRKY-QKMQQOOLSA-N 1 2 219.288 1.585 20 0 BDADLO Cc1cncc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000566363798 398336617 /nfs/dbraw/zinc/33/66/17/398336617.db2.gz BHABPDLXAMSSLC-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C(F)F ZINC000392721526 398334995 /nfs/dbraw/zinc/33/49/95/398334995.db2.gz PRMILFQGKBIVLK-LURJTMIESA-N 1 2 202.204 1.530 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000602683933 349675507 /nfs/dbraw/zinc/67/55/07/349675507.db2.gz YFIRIYUULSLKQV-UTLUCORTSA-N 1 2 231.361 1.810 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1(SC)CC1 ZINC000234786424 342942504 /nfs/dbraw/zinc/94/25/04/342942504.db2.gz XNEHPWQFSSZOMU-UHFFFAOYSA-N 1 2 240.332 1.375 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1(SC)CC1 ZINC000234786424 342942505 /nfs/dbraw/zinc/94/25/05/342942505.db2.gz XNEHPWQFSSZOMU-UHFFFAOYSA-N 1 2 240.332 1.375 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCO[C@H](C)C1 ZINC000234790747 342942996 /nfs/dbraw/zinc/94/29/96/342942996.db2.gz IXVBIHVSZLISHU-SFYZADRCSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCO[C@H](C)C1 ZINC000234790747 342942997 /nfs/dbraw/zinc/94/29/97/342942997.db2.gz IXVBIHVSZLISHU-SFYZADRCSA-N 1 2 238.291 1.047 20 0 BDADLO CCc1cc(N[C@@H](CC)COC)nc[nH+]1 ZINC000070625998 398343154 /nfs/dbraw/zinc/34/31/54/398343154.db2.gz FQWNXMJTWRBDBO-JTQLQIEISA-N 1 2 209.293 1.876 20 0 BDADLO Cc1c(Nc2cc(C)[nH+]c(C)n2)cnn1C ZINC000189498001 346891408 /nfs/dbraw/zinc/89/14/08/346891408.db2.gz LKAWCMVDRQLAGN-UHFFFAOYSA-N 1 2 217.276 1.879 20 0 BDADLO CCc1nnc(C[N@H+](C)CCc2ccccn2)o1 ZINC000162400881 349691630 /nfs/dbraw/zinc/69/16/30/349691630.db2.gz JAPNCZRJVYESDD-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCc2ccccn2)o1 ZINC000162400881 349691633 /nfs/dbraw/zinc/69/16/33/349691633.db2.gz JAPNCZRJVYESDD-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(F)C1 ZINC000492476626 529551431 /nfs/dbraw/zinc/55/14/31/529551431.db2.gz SRSSEFWPLZZEJX-ONEGZZNKSA-N 1 2 223.251 1.097 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1cccc(O)c1 ZINC000020212141 342977596 /nfs/dbraw/zinc/97/75/96/342977596.db2.gz HSSLZCYOKWFMGU-UHFFFAOYSA-N 1 2 231.255 1.618 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CC[C@@H]1C ZINC000492890107 529560159 /nfs/dbraw/zinc/56/01/59/529560159.db2.gz JFLAHPNSXKQTFS-QIAMSNJGSA-N 1 2 233.315 1.831 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000351845789 136257039 /nfs/dbraw/zinc/25/70/39/136257039.db2.gz WFOKVQUKOMRPCC-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000351845789 136257040 /nfs/dbraw/zinc/25/70/40/136257040.db2.gz WFOKVQUKOMRPCC-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO COC[C@@H]([NH2+]Cc1noc(C(C)C)n1)C1CC1 ZINC000181560396 536721957 /nfs/dbraw/zinc/72/19/57/536721957.db2.gz KMJTYDUWCSMSND-SNVBAGLBSA-N 1 2 239.319 1.708 20 0 BDADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)F ZINC000493449247 529572355 /nfs/dbraw/zinc/57/23/55/529572355.db2.gz JWHJQNFJUINBJB-MPJRPATESA-N 1 2 229.230 1.583 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2ncc[nH]2)c(C)o1 ZINC000602733665 349718720 /nfs/dbraw/zinc/71/87/20/349718720.db2.gz XHECPTKAOFCLCE-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO CC[NH+]1CCC(n2[nH]c3c(c2=O)CCCC3)CC1 ZINC000634602492 342997746 /nfs/dbraw/zinc/99/77/46/342997746.db2.gz SKRYJFBPFOGMMQ-LBPRGKRZSA-N 1 2 249.358 1.859 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+]2CC=CCC2)n1 ZINC000602801771 349742048 /nfs/dbraw/zinc/74/20/48/349742048.db2.gz NWJOTLPMHQEQAL-VIFPVBQESA-N 1 2 236.271 1.784 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC=CCC2)n1 ZINC000602801771 349742053 /nfs/dbraw/zinc/74/20/53/349742053.db2.gz NWJOTLPMHQEQAL-VIFPVBQESA-N 1 2 236.271 1.784 20 0 BDADLO Cc1ccc(F)c(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634611089 343006583 /nfs/dbraw/zinc/00/65/83/343006583.db2.gz NDASITMDBHMKSF-VIFPVBQESA-N 1 2 247.273 1.446 20 0 BDADLO CC[C@H]([NH2+]Cc1cccs1)C(=O)OC ZINC000037966923 343021420 /nfs/dbraw/zinc/02/14/20/343021420.db2.gz ATYHPWQAPXUIRL-VIFPVBQESA-N 1 2 213.302 1.789 20 0 BDADLO CC[C@H]1C[N@H+](CCN(C#N)CC)C[C@H](C)O1 ZINC000602782959 349748321 /nfs/dbraw/zinc/74/83/21/349748321.db2.gz KQYACSFGTJUJQV-RYUDHWBXSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@H]1C[N@@H+](CCN(C#N)CC)C[C@H](C)O1 ZINC000602782959 349748325 /nfs/dbraw/zinc/74/83/25/349748325.db2.gz KQYACSFGTJUJQV-RYUDHWBXSA-N 1 2 225.336 1.289 20 0 BDADLO O=C(Cc1ccoc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335905647 136260843 /nfs/dbraw/zinc/26/08/43/136260843.db2.gz LJBHYAWFLLFSKK-LLVKDONJSA-N 1 2 245.282 1.909 20 0 BDADLO Cc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1F ZINC000634614437 343012178 /nfs/dbraw/zinc/01/21/78/343012178.db2.gz CJJIBWKQRPEPDL-JTQLQIEISA-N 1 2 247.273 1.446 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccc(Cl)o1 ZINC000037989059 343040022 /nfs/dbraw/zinc/04/00/22/343040022.db2.gz AXVOKWOWTVPVSI-UHFFFAOYSA-N 1 2 226.667 1.351 20 0 BDADLO C[C@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(C)(C)C ZINC000634629897 343038502 /nfs/dbraw/zinc/03/85/02/343038502.db2.gz GWQRFPGUHKSYAR-DTWKUNHWSA-N 1 2 223.320 1.229 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H](C)C1 ZINC000634633538 343045404 /nfs/dbraw/zinc/04/54/04/343045404.db2.gz ZNPGWCNOQDQQSL-JTQLQIEISA-N 1 2 234.303 1.518 20 0 BDADLO CC(C)c1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000634633803 343046591 /nfs/dbraw/zinc/04/65/91/343046591.db2.gz GVKKVUSMKLYXNW-UHFFFAOYSA-N 1 2 234.303 1.518 20 0 BDADLO CCCc1cc(=O)n(CCCn2cc[nH+]c2)[nH]1 ZINC000634634354 343047350 /nfs/dbraw/zinc/04/73/50/343047350.db2.gz VXMUZBQFWXDOJI-UHFFFAOYSA-N 1 2 234.303 1.662 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCOC(C)(C)C2 ZINC000634533858 362027930 /nfs/dbraw/zinc/02/79/30/362027930.db2.gz RPDVXMLCOXHFKP-ZDUSSCGKSA-N 1 2 240.347 1.504 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12CCOC(C)(C)C2 ZINC000634533858 362027940 /nfs/dbraw/zinc/02/79/40/362027940.db2.gz RPDVXMLCOXHFKP-ZDUSSCGKSA-N 1 2 240.347 1.504 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12CCOC(C)(C)C2 ZINC000634533684 362028052 /nfs/dbraw/zinc/02/80/52/362028052.db2.gz MITPEICOGVBGOZ-GFCCVEGCSA-N 1 2 226.320 1.114 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12CCOC(C)(C)C2 ZINC000634533684 362028060 /nfs/dbraw/zinc/02/80/60/362028060.db2.gz MITPEICOGVBGOZ-GFCCVEGCSA-N 1 2 226.320 1.114 20 0 BDADLO Cc1cc(NC(=O)NCC[C@H](C)O)c(C)c[nH+]1 ZINC000678098695 488198418 /nfs/dbraw/zinc/19/84/18/488198418.db2.gz OXUMJHWUWGOUAW-JTQLQIEISA-N 1 2 237.303 1.013 20 0 BDADLO CCO[C@@H](CC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237043796 343121950 /nfs/dbraw/zinc/12/19/50/343121950.db2.gz WVAULSXQGWDLMP-VIFPVBQESA-N 1 2 223.276 1.417 20 0 BDADLO CCC[C@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640941807 362082784 /nfs/dbraw/zinc/08/27/84/362082784.db2.gz FYXZQXQFVVQCQK-ONGXEEELSA-N 1 2 224.308 1.300 20 0 BDADLO CCO[C@H](CC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000236934328 343115486 /nfs/dbraw/zinc/11/54/86/343115486.db2.gz WVAULSXQGWDLMP-SECBINFHSA-N 1 2 223.276 1.417 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H](C)CF ZINC000631137201 343145916 /nfs/dbraw/zinc/14/59/16/343145916.db2.gz XCLITSACZSCZQK-QMMMGPOBSA-N 1 2 200.261 1.307 20 0 BDADLO C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H](C(=O)[O-])C1 ZINC000129532737 343177947 /nfs/dbraw/zinc/17/79/47/343177947.db2.gz ZRUMYYUVBPKVTJ-QWRGUYRKSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H](C(=O)[O-])C1 ZINC000129532737 343177948 /nfs/dbraw/zinc/17/79/48/343177948.db2.gz ZRUMYYUVBPKVTJ-QWRGUYRKSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H](CC(=O)NC[C@H]1CCCC1=O)n1cc[nH+]c1 ZINC000576949710 365729547 /nfs/dbraw/zinc/72/95/47/365729547.db2.gz KXEFDAGESZYXGR-WDEREUQCSA-N 1 2 249.314 1.320 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000163390275 343206730 /nfs/dbraw/zinc/20/67/30/343206730.db2.gz SJRLHVMDJCUNKX-IUCAKERBSA-N 1 2 229.320 1.077 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000163390494 343206895 /nfs/dbraw/zinc/20/68/95/343206895.db2.gz SJRLHVMDJCUNKX-DTWKUNHWSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C(F)F ZINC000641012545 362127716 /nfs/dbraw/zinc/12/77/16/362127716.db2.gz OFTZDAROEQOHBC-ZETCQYMHSA-N 1 2 246.261 1.215 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332815882 343216204 /nfs/dbraw/zinc/21/62/04/343216204.db2.gz ZMAITFLQVQPMSD-MXWKQRLJSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332815882 343216207 /nfs/dbraw/zinc/21/62/07/343216207.db2.gz ZMAITFLQVQPMSD-MXWKQRLJSA-N 1 2 247.342 1.819 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000625278592 343218252 /nfs/dbraw/zinc/21/82/52/343218252.db2.gz MTVHFKJRJPYTTO-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1cncc(C[N@H+]2CCOC3(CCC3)C2)n1 ZINC000625278592 343218253 /nfs/dbraw/zinc/21/82/53/343218253.db2.gz MTVHFKJRJPYTTO-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO C[C@H]1C[N@H+](Cc2noc(C3CCC3)n2)C[C@@H]1O ZINC000625280611 343218875 /nfs/dbraw/zinc/21/88/75/343218875.db2.gz CSVQMWPJXFVXHI-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1C[N@@H+](Cc2noc(C3CCC3)n2)C[C@@H]1O ZINC000625280611 343218878 /nfs/dbraw/zinc/21/88/78/343218878.db2.gz CSVQMWPJXFVXHI-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C(F)F ZINC000641005248 362119898 /nfs/dbraw/zinc/11/98/98/362119898.db2.gz VVARNVCFOVOQGK-SSDOTTSWSA-N 1 2 244.245 1.062 20 0 BDADLO CCC[C@@H](C)CS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625299678 343226544 /nfs/dbraw/zinc/22/65/44/343226544.db2.gz ZKDDVXJLTMHXDF-SECBINFHSA-N 1 2 245.348 1.265 20 0 BDADLO CCC[C@@H](C)CS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625299678 343226545 /nfs/dbraw/zinc/22/65/45/343226545.db2.gz ZKDDVXJLTMHXDF-SECBINFHSA-N 1 2 245.348 1.265 20 0 BDADLO CCC(=O)c1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030681 362145529 /nfs/dbraw/zinc/14/55/29/362145529.db2.gz FOUDONXLMCBXTB-UHFFFAOYSA-N 1 2 246.270 1.323 20 0 BDADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)C(F)F ZINC000641023018 362137408 /nfs/dbraw/zinc/13/74/08/362137408.db2.gz DLQYBVDNERSFKP-MRVPVSSYSA-N 1 2 246.261 1.226 20 0 BDADLO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164340387 534936957 /nfs/dbraw/zinc/93/69/57/534936957.db2.gz PHNXHOCFKZLVHW-GFCCVEGCSA-N 1 2 225.336 1.687 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2nnc3n2CCC3)o1 ZINC000035255293 343290902 /nfs/dbraw/zinc/29/09/02/343290902.db2.gz NARZJEWUONTHCV-SNVBAGLBSA-N 1 2 246.314 1.977 20 0 BDADLO CS[C@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000121269648 343265034 /nfs/dbraw/zinc/26/50/34/343265034.db2.gz YSEQFIOVRAMZEV-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000121463933 343266891 /nfs/dbraw/zinc/26/68/91/343266891.db2.gz ZHFKDOHSGNCNLJ-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000034415443 343270341 /nfs/dbraw/zinc/27/03/41/343270341.db2.gz VKXJALJQJXRIBP-LLVKDONJSA-N 1 2 207.273 1.728 20 0 BDADLO CCn1cc[nH+]c1CNCC(F)(F)F ZINC000051920647 343278839 /nfs/dbraw/zinc/27/88/39/343278839.db2.gz WCTLYGAZRZGTEA-UHFFFAOYSA-N 1 2 207.199 1.555 20 0 BDADLO Cc1cccc2c1N(C(=O)Cn1cc[nH+]c1)CC2 ZINC000122312444 343320149 /nfs/dbraw/zinc/32/01/49/343320149.db2.gz WFXMZEDDSUQHET-UHFFFAOYSA-N 1 2 241.294 1.781 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2c(c1)OCO2 ZINC000036804417 343324193 /nfs/dbraw/zinc/32/41/93/343324193.db2.gz YHVAFYPBDXEOJE-UHFFFAOYSA-N 1 2 231.255 1.761 20 0 BDADLO C/C=C\c1cn(CCCn2cc[nH+]c2)nn1 ZINC000641054768 362166763 /nfs/dbraw/zinc/16/67/63/362166763.db2.gz GTYYMQVGQHSWCX-RQOWECAXSA-N 1 2 217.276 1.598 20 0 BDADLO CC[N@@H+](Cc1c(Cl)cnn1C)C[C@@H](C)O ZINC000348713363 136293973 /nfs/dbraw/zinc/29/39/73/136293973.db2.gz KQUVOEMWVGHYGE-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CC[N@H+](Cc1c(Cl)cnn1C)C[C@@H](C)O ZINC000348713363 136293974 /nfs/dbraw/zinc/29/39/74/136293974.db2.gz KQUVOEMWVGHYGE-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCC[C@@H]2O)[nH+]1 ZINC000348730106 136294949 /nfs/dbraw/zinc/29/49/49/136294949.db2.gz YRFKBYKOHXSWGG-QWRGUYRKSA-N 1 2 246.314 1.982 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC(C)(C)C ZINC000070819053 343340914 /nfs/dbraw/zinc/34/09/14/343340914.db2.gz JHERINPCOHCBKZ-UHFFFAOYSA-N 1 2 210.281 1.350 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)n[nH]1 ZINC000335639192 136302854 /nfs/dbraw/zinc/30/28/54/136302854.db2.gz HTNGSLCMQRCRHC-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)n[nH]1 ZINC000335639192 136302855 /nfs/dbraw/zinc/30/28/55/136302855.db2.gz HTNGSLCMQRCRHC-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(SC)s1 ZINC000668788892 487535331 /nfs/dbraw/zinc/53/53/31/487535331.db2.gz WVGDKOAQXGHVKJ-UHFFFAOYSA-N 1 2 244.385 1.648 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(SC)s1 ZINC000668788892 487535338 /nfs/dbraw/zinc/53/53/38/487535338.db2.gz WVGDKOAQXGHVKJ-UHFFFAOYSA-N 1 2 244.385 1.648 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCCc2c(cnn2C)C1 ZINC000335638707 136303158 /nfs/dbraw/zinc/30/31/58/136303158.db2.gz JSYFUTJGTSICIB-UHFFFAOYSA-N 1 2 245.330 1.400 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000335638707 136303159 /nfs/dbraw/zinc/30/31/59/136303159.db2.gz JSYFUTJGTSICIB-UHFFFAOYSA-N 1 2 245.330 1.400 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ccco1 ZINC000037485425 343346659 /nfs/dbraw/zinc/34/66/59/343346659.db2.gz MHAKJFWLGQJUGV-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc[nH+]1 ZINC000335653214 136305734 /nfs/dbraw/zinc/30/57/34/136305734.db2.gz YATVTCOMQYYCHK-RKDXNWHRSA-N 1 2 244.216 1.949 20 0 BDADLO CCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000267226768 168437688 /nfs/dbraw/zinc/43/76/88/168437688.db2.gz XWHDGVBOEXMDDQ-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO CN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000335671366 136313190 /nfs/dbraw/zinc/31/31/90/136313190.db2.gz WXZXCJCEKHQNOY-UHFFFAOYSA-N 1 2 244.298 1.644 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccc(F)cn1 ZINC000335689823 136324530 /nfs/dbraw/zinc/32/45/30/136324530.db2.gz SLFSLVITJLWGNT-LLVKDONJSA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1ccc(F)cn1 ZINC000335689823 136324531 /nfs/dbraw/zinc/32/45/31/136324531.db2.gz SLFSLVITJLWGNT-LLVKDONJSA-N 1 2 242.319 1.130 20 0 BDADLO Cc1nc(C[NH2+]CC(=O)NCC2CC2)cs1 ZINC000041011031 343412446 /nfs/dbraw/zinc/41/24/46/343412446.db2.gz VRTNRJYIWBKVMO-UHFFFAOYSA-N 1 2 239.344 1.067 20 0 BDADLO C[N@H+](CCOCCO)Cc1ncccc1Cl ZINC000625401562 343414306 /nfs/dbraw/zinc/41/43/06/343414306.db2.gz WIIJBHULLHLKTI-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO C[N@@H+](CCOCCO)Cc1ncccc1Cl ZINC000625401562 343414307 /nfs/dbraw/zinc/41/43/07/343414307.db2.gz WIIJBHULLHLKTI-UHFFFAOYSA-N 1 2 244.722 1.176 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)ns1 ZINC000335725648 136347110 /nfs/dbraw/zinc/34/71/10/136347110.db2.gz RFIJOUJRKJEESC-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCCC1 ZINC000335727447 136347975 /nfs/dbraw/zinc/34/79/75/136347975.db2.gz BFQYKSNFSWCJGB-VIFPVBQESA-N 1 2 234.303 1.072 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCCC1 ZINC000335727447 136347976 /nfs/dbraw/zinc/34/79/76/136347976.db2.gz BFQYKSNFSWCJGB-VIFPVBQESA-N 1 2 234.303 1.072 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)NCc1[nH+]ccn1C ZINC000335737411 136350995 /nfs/dbraw/zinc/35/09/95/136350995.db2.gz CPPXQZKALCXYKT-NXEZZACHSA-N 1 2 236.319 1.503 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616429105 343432825 /nfs/dbraw/zinc/43/28/25/343432825.db2.gz XKSWRECSOBJLTI-CHWFTXMASA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616429105 343432827 /nfs/dbraw/zinc/43/28/27/343432827.db2.gz XKSWRECSOBJLTI-CHWFTXMASA-N 1 2 245.326 1.429 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)C)CCC2 ZINC000335897166 136359081 /nfs/dbraw/zinc/35/90/81/136359081.db2.gz GITJEYRTPPZLBC-NSHDSACASA-N 1 2 235.331 1.841 20 0 BDADLO Cc1ccc(Cn2cc(CCCO)nn2)c(C)[nH+]1 ZINC000641096685 362223101 /nfs/dbraw/zinc/22/31/01/362223101.db2.gz QCLRSUPIKPYMLE-UHFFFAOYSA-N 1 2 246.314 1.263 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351106623 136367962 /nfs/dbraw/zinc/36/79/62/136367962.db2.gz XMQVZPZKBGCBLF-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351106623 136367963 /nfs/dbraw/zinc/36/79/63/136367963.db2.gz XMQVZPZKBGCBLF-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000351605634 136369711 /nfs/dbraw/zinc/36/97/11/136369711.db2.gz PHYSOGIIGHWEIY-VIFPVBQESA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000351605634 136369712 /nfs/dbraw/zinc/36/97/12/136369712.db2.gz PHYSOGIIGHWEIY-VIFPVBQESA-N 1 2 239.344 1.114 20 0 BDADLO CC[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680114 343459071 /nfs/dbraw/zinc/45/90/71/343459071.db2.gz QBAMMKMCYXTLRK-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000082680114 343459074 /nfs/dbraw/zinc/45/90/74/343459074.db2.gz QBAMMKMCYXTLRK-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCOC(C)(C)C ZINC000683783746 488221303 /nfs/dbraw/zinc/22/13/03/488221303.db2.gz VOKXVPBYTDLUCS-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CC(C)C(CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000310380219 343464452 /nfs/dbraw/zinc/46/44/52/343464452.db2.gz JBYFNIMJPLQRQU-UHFFFAOYSA-N 1 2 237.347 1.928 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000070850826 343514187 /nfs/dbraw/zinc/51/41/87/343514187.db2.gz NCTOBHBHYKBWGH-DTWKUNHWSA-N 1 2 227.329 1.830 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000577013913 365767740 /nfs/dbraw/zinc/76/77/40/365767740.db2.gz TVYKIJUFDRFFBS-BDAKNGLRSA-N 1 2 221.304 1.602 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CNC(=O)O1 ZINC000495584450 529730382 /nfs/dbraw/zinc/73/03/82/529730382.db2.gz RUWVIZIJZPKLGD-VIFPVBQESA-N 1 2 236.271 1.440 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000602905591 349818210 /nfs/dbraw/zinc/81/82/10/349818210.db2.gz GYHYXEAVSSDDSG-ZDUSSCGKSA-N 1 2 241.331 1.772 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000602905591 349818213 /nfs/dbraw/zinc/81/82/13/349818213.db2.gz GYHYXEAVSSDDSG-ZDUSSCGKSA-N 1 2 241.331 1.772 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CC[C@@](C)(F)C1 ZINC000570222194 323053245 /nfs/dbraw/zinc/05/32/45/323053245.db2.gz HZZANNSFJQZYNB-LDYMZIIASA-N 1 2 224.283 1.384 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000622745609 343605442 /nfs/dbraw/zinc/60/54/42/343605442.db2.gz QEWDSGHRMPULMA-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000622745609 343605444 /nfs/dbraw/zinc/60/54/44/343605444.db2.gz QEWDSGHRMPULMA-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO CC(C)CN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077213491 343671204 /nfs/dbraw/zinc/67/12/04/343671204.db2.gz DGMHCSAGQTYSBO-UHFFFAOYSA-N 1 2 231.303 1.755 20 0 BDADLO CCc1cnc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000379926129 343655744 /nfs/dbraw/zinc/65/57/44/343655744.db2.gz LLKJOEOTMBLCGE-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1occc1C ZINC000379997104 343666386 /nfs/dbraw/zinc/66/63/86/343666386.db2.gz WJPDTXLATREGII-UHFFFAOYSA-N 1 2 234.259 1.003 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1occc1C ZINC000379997104 343666387 /nfs/dbraw/zinc/66/63/87/343666387.db2.gz WJPDTXLATREGII-UHFFFAOYSA-N 1 2 234.259 1.003 20 0 BDADLO CCCC[N@H+](C/C=C/Cl)CC(N)=O ZINC000048048006 343705761 /nfs/dbraw/zinc/70/57/61/343705761.db2.gz CXLDOTARNJYABK-SNAWJCMRSA-N 1 2 204.701 1.326 20 0 BDADLO CCCC[N@@H+](C/C=C/Cl)CC(N)=O ZINC000048048006 343705764 /nfs/dbraw/zinc/70/57/64/343705764.db2.gz CXLDOTARNJYABK-SNAWJCMRSA-N 1 2 204.701 1.326 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431753 343733057 /nfs/dbraw/zinc/73/30/57/343733057.db2.gz KGLXAOWOJTYLHA-BBBLOLIVSA-N 1 2 236.319 1.346 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431753 343733059 /nfs/dbraw/zinc/73/30/59/343733059.db2.gz KGLXAOWOJTYLHA-BBBLOLIVSA-N 1 2 236.319 1.346 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3nc[nH]c3C2)nn1C ZINC000625434499 343735334 /nfs/dbraw/zinc/73/53/34/343735334.db2.gz XXSCXCLREFOHJN-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cc(C[N@H+]2CCc3nc[nH]c3C2)nn1C ZINC000625434499 343735336 /nfs/dbraw/zinc/73/53/36/343735336.db2.gz XXSCXCLREFOHJN-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cc(CN2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000625434834 343735643 /nfs/dbraw/zinc/73/56/43/343735643.db2.gz HWRFJRBBBMKNEN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H]1COCC1(C)C ZINC000312990172 343710523 /nfs/dbraw/zinc/71/05/23/343710523.db2.gz QKJQJEZUDICQOB-MNOVXSKESA-N 1 2 243.347 1.589 20 0 BDADLO Fc1c[nH+]ccc1NCCCOCC1CC1 ZINC000390750041 537806878 /nfs/dbraw/zinc/80/68/78/537806878.db2.gz CBGFGMSDELINGS-UHFFFAOYSA-N 1 2 224.279 1.871 20 0 BDADLO COc1ccc[nH+]c1N[C@H](CO)CCF ZINC000624353169 343729980 /nfs/dbraw/zinc/72/99/80/343729980.db2.gz HOHXMLLVCYQHLF-QMMMGPOBSA-N 1 2 214.240 1.223 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](CO)CCF ZINC000624353168 343730118 /nfs/dbraw/zinc/73/01/18/343730118.db2.gz HOHXMLLVCYQHLF-MRVPVSSYSA-N 1 2 214.240 1.223 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)[C@@H]2CCOC2)on1 ZINC000570407909 323058789 /nfs/dbraw/zinc/05/87/89/323058789.db2.gz OTVQZDCULGOFRP-SECBINFHSA-N 1 2 224.260 1.098 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)[C@@H]2CCOC2)on1 ZINC000570407909 323058790 /nfs/dbraw/zinc/05/87/90/323058790.db2.gz OTVQZDCULGOFRP-SECBINFHSA-N 1 2 224.260 1.098 20 0 BDADLO c1cn(Cc2nnc(-c3ccccc3)o2)c[nH+]1 ZINC000029594174 343765324 /nfs/dbraw/zinc/76/53/24/343765324.db2.gz BPBHWBSLCWQCCM-UHFFFAOYSA-N 1 2 226.239 1.981 20 0 BDADLO Cc1occc1C(=O)NCc1c[nH+]cn1C ZINC000336531383 537813420 /nfs/dbraw/zinc/81/34/20/537813420.db2.gz KRZSORYNFFNUFW-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CN(CC(F)(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493526907 529849939 /nfs/dbraw/zinc/84/99/39/529849939.db2.gz RTIGCUJCKXWPSG-NSCUHMNNSA-N 1 2 233.193 1.444 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627369934 346978609 /nfs/dbraw/zinc/97/86/09/346978609.db2.gz IEWRMYIJGCLQME-VHSXEESVSA-N 1 2 233.315 1.731 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627369934 346978612 /nfs/dbraw/zinc/97/86/12/346978612.db2.gz IEWRMYIJGCLQME-VHSXEESVSA-N 1 2 233.315 1.731 20 0 BDADLO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000396809508 349879031 /nfs/dbraw/zinc/87/90/31/349879031.db2.gz AZTXXWCYHLUAGT-IUCAKERBSA-N 1 2 215.293 1.095 20 0 BDADLO c1nnsc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000625468417 343872414 /nfs/dbraw/zinc/87/24/14/343872414.db2.gz MPAJOHIRUAWIRG-BQBZGAKWSA-N 1 2 213.331 1.228 20 0 BDADLO c1nnsc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000625468417 343872416 /nfs/dbraw/zinc/87/24/16/343872416.db2.gz MPAJOHIRUAWIRG-BQBZGAKWSA-N 1 2 213.331 1.228 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1oc(C)nc1C ZINC000683898453 488240525 /nfs/dbraw/zinc/24/05/25/488240525.db2.gz JIEARVDQCHRXAQ-UHFFFAOYSA-N 1 2 239.319 1.379 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1oc(C)nc1C ZINC000683898453 488240527 /nfs/dbraw/zinc/24/05/27/488240527.db2.gz JIEARVDQCHRXAQ-UHFFFAOYSA-N 1 2 239.319 1.379 20 0 BDADLO CCc1nc(N2CC(O)(C(F)F)C2)cc(C)[nH+]1 ZINC000425281533 192368413 /nfs/dbraw/zinc/36/84/13/192368413.db2.gz ZUWIEZZTCWVHIP-UHFFFAOYSA-N 1 2 243.257 1.164 20 0 BDADLO CCOC(=O)c1cn(Cc2ccc[nH+]c2C)nn1 ZINC000603222315 349897583 /nfs/dbraw/zinc/89/75/83/349897583.db2.gz JNGOWGDZLRSVSV-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493729577 529951761 /nfs/dbraw/zinc/95/17/61/529951761.db2.gz WGINBVIWVVVXAE-PZIAFJOJSA-N 1 2 249.314 1.042 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(C)o1 ZINC000628119837 343968197 /nfs/dbraw/zinc/96/81/97/343968197.db2.gz MLKKIFMZZIBXRP-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(C)o1 ZINC000628119837 343968199 /nfs/dbraw/zinc/96/81/99/343968199.db2.gz MLKKIFMZZIBXRP-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](Cc1cn[nH]c1)C2 ZINC000625728057 344059032 /nfs/dbraw/zinc/05/90/32/344059032.db2.gz UDZVYDDVYRUTTO-UHFFFAOYSA-N 1 2 215.256 1.631 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](Cc1cn[nH]c1)C2 ZINC000625728057 344059033 /nfs/dbraw/zinc/05/90/33/344059033.db2.gz UDZVYDDVYRUTTO-UHFFFAOYSA-N 1 2 215.256 1.631 20 0 BDADLO C[C@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000641241310 362300710 /nfs/dbraw/zinc/30/07/10/362300710.db2.gz IWAOATAGZHFZOH-UWVGGRQHSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000641241406 362301197 /nfs/dbraw/zinc/30/11/97/362301197.db2.gz CALIHTLLLLVAOU-IUCAKERBSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@H]1CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000641241406 362301204 /nfs/dbraw/zinc/30/12/04/362301204.db2.gz CALIHTLLLLVAOU-IUCAKERBSA-N 1 2 219.288 1.135 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777202 344071936 /nfs/dbraw/zinc/07/19/36/344071936.db2.gz CLBXCRIYDPLDEO-ZJUUUORDSA-N 1 2 224.333 1.275 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777202 344071937 /nfs/dbraw/zinc/07/19/37/344071937.db2.gz CLBXCRIYDPLDEO-ZJUUUORDSA-N 1 2 224.333 1.275 20 0 BDADLO Cc1cncnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000641287491 362345089 /nfs/dbraw/zinc/34/50/89/362345089.db2.gz LCELDUWPYZAEEW-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734660 344115212 /nfs/dbraw/zinc/11/52/12/344115212.db2.gz LKFOLWCISDZEEE-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734660 344115215 /nfs/dbraw/zinc/11/52/15/344115215.db2.gz LKFOLWCISDZEEE-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@H](C(F)F)CC1 ZINC000634734660 344115216 /nfs/dbraw/zinc/11/52/16/344115216.db2.gz LKFOLWCISDZEEE-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Fc1c[nH+]ccc1NC[C@@H]1CCCOC1 ZINC000641306260 362354809 /nfs/dbraw/zinc/35/48/09/362354809.db2.gz ZFYIFVDPIRIFBC-VIFPVBQESA-N 1 2 210.252 1.481 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cscn2)CCO1 ZINC000634735733 344123325 /nfs/dbraw/zinc/12/33/25/344123325.db2.gz PHPYBQQAQVVRSY-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cscn2)CCO1 ZINC000634735733 344123327 /nfs/dbraw/zinc/12/33/27/344123327.db2.gz PHPYBQQAQVVRSY-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000131090554 344133336 /nfs/dbraw/zinc/13/33/36/344133336.db2.gz ZAGQCTUJUCGQLJ-LPEHRKFASA-N 1 2 231.336 1.730 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000628129850 344158330 /nfs/dbraw/zinc/15/83/30/344158330.db2.gz XOBVYFIBCUBLST-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000628129850 344158331 /nfs/dbraw/zinc/15/83/31/344158331.db2.gz XOBVYFIBCUBLST-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2ccon2)CCO1 ZINC000634753803 344208207 /nfs/dbraw/zinc/20/82/07/344208207.db2.gz NVZBHALQIJUARY-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2ccon2)CCO1 ZINC000634753803 344208210 /nfs/dbraw/zinc/20/82/10/344208210.db2.gz NVZBHALQIJUARY-VIFPVBQESA-N 1 2 232.230 1.531 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncnn2C)cc1 ZINC000088571980 344240796 /nfs/dbraw/zinc/24/07/96/344240796.db2.gz JLQCHCCNLZTGCT-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO O=C(CNc1cc[nH+]cc1F)NC1CCCC1 ZINC000641320062 362364220 /nfs/dbraw/zinc/36/42/20/362364220.db2.gz FGJHZGQVGNTCKR-UHFFFAOYSA-N 1 2 237.278 1.113 20 0 BDADLO CNC(=O)CSCc1ccc(N(C)C)[nH+]c1 ZINC000600543701 344263679 /nfs/dbraw/zinc/26/36/79/344263679.db2.gz NPLGYYGOJIMPAU-UHFFFAOYSA-N 1 2 239.344 1.127 20 0 BDADLO CC(C)c1cc(NC(=O)NCc2[nH]cc[nH+]2)no1 ZINC000092056585 344288098 /nfs/dbraw/zinc/28/80/98/344288098.db2.gz NJVJPORDPJFDDR-UHFFFAOYSA-N 1 2 249.274 1.843 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc[nH]c1 ZINC000622083104 344291180 /nfs/dbraw/zinc/29/11/80/344291180.db2.gz YDFJURJCTZWPNU-VIFPVBQESA-N 1 2 232.287 1.722 20 0 BDADLO CC(C)(C)n1ncnc1C[NH2+]CC1(F)CC1 ZINC000381253720 344293763 /nfs/dbraw/zinc/29/37/63/344293763.db2.gz QDWPXCIXMKXZQD-UHFFFAOYSA-N 1 2 226.299 1.625 20 0 BDADLO CC[C@H](C)[C@](C)(O)CNc1cc[nH+]cc1F ZINC000641374509 362381699 /nfs/dbraw/zinc/38/16/99/362381699.db2.gz WSLFGOJEXAEFRK-JOYOIKCWSA-N 1 2 226.295 1.852 20 0 BDADLO C[C@H](NC(=O)Cc1cccnc1)c1[nH+]ccn1C ZINC000620601336 344334732 /nfs/dbraw/zinc/33/47/32/344334732.db2.gz WBDYKPILCZFPMB-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO Cc1ccc(CCNc2cc(CO)cc[nH+]2)cc1 ZINC000641380827 362384571 /nfs/dbraw/zinc/38/45/71/362384571.db2.gz WDBAFFPOKQJXFZ-UHFFFAOYSA-N 1 2 242.322 1.959 20 0 BDADLO CCN1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000600617117 344337788 /nfs/dbraw/zinc/33/77/88/344337788.db2.gz MTXGMMMRAWAHJW-LBPRGKRZSA-N 1 2 219.332 1.780 20 0 BDADLO COCCN1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000600619605 344340682 /nfs/dbraw/zinc/34/06/82/344340682.db2.gz LIBVWVHUPHPASD-CYBMUJFWSA-N 1 2 249.358 1.407 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)o1 ZINC000600631170 344345889 /nfs/dbraw/zinc/34/58/89/344345889.db2.gz UGNVWHNXRCGHBJ-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)o1 ZINC000600631170 344345893 /nfs/dbraw/zinc/34/58/93/344345893.db2.gz UGNVWHNXRCGHBJ-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1cc[nH+]cc1F ZINC000641371179 362380305 /nfs/dbraw/zinc/38/03/05/362380305.db2.gz ARVZWHTUKORFTR-LDYMZIIASA-N 1 2 212.268 1.462 20 0 BDADLO COC[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641388863 362386899 /nfs/dbraw/zinc/38/68/99/362386899.db2.gz XZFQHDCVUJVFQW-SECBINFHSA-N 1 2 210.252 1.693 20 0 BDADLO CCCN(CC(=O)NC)c1cc[nH+]cc1F ZINC000641393556 362391023 /nfs/dbraw/zinc/39/10/23/362391023.db2.gz KOFIORKRQJSYBX-UHFFFAOYSA-N 1 2 225.267 1.183 20 0 BDADLO C[C@H](O)C[C@H](C)CNc1cc[nH+]cc1F ZINC000641388638 362387964 /nfs/dbraw/zinc/38/79/64/362387964.db2.gz CMPRDXYBJYBYSO-IUCAKERBSA-N 1 2 212.268 1.462 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000622866839 344435689 /nfs/dbraw/zinc/43/56/89/344435689.db2.gz URGHTQOVUXSUGR-URLYPYJESA-N 1 2 232.283 1.529 20 0 BDADLO C[C@@H](O)CC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641393953 362391575 /nfs/dbraw/zinc/39/15/75/362391575.db2.gz KLBREFYEJVOGOG-SNVBAGLBSA-N 1 2 238.331 1.783 20 0 BDADLO C[C@H](Cn1cccn1)Nc1cccc[nH+]1 ZINC000042541610 344458855 /nfs/dbraw/zinc/45/88/55/344458855.db2.gz FQPMMSZBYAJXEK-SNVBAGLBSA-N 1 2 202.261 1.779 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C ZINC000042534202 344458865 /nfs/dbraw/zinc/45/88/65/344458865.db2.gz HTANFCJRMXKQPN-VIFPVBQESA-N 1 2 209.293 1.434 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000135484444 344474482 /nfs/dbraw/zinc/47/44/82/344474482.db2.gz NIONGQBQMWVZGE-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)[C@H]1CCOC1 ZINC000641399202 362393779 /nfs/dbraw/zinc/39/37/79/362393779.db2.gz ZHRIXOPCTAGBNB-ONGXEEELSA-N 1 2 222.288 1.411 20 0 BDADLO C[C@@H](CCO)SCc1c[nH+]cn1C ZINC000085191629 344507472 /nfs/dbraw/zinc/50/74/72/344507472.db2.gz WHUOJWOZHBXMTH-QMMMGPOBSA-N 1 2 200.307 1.424 20 0 BDADLO Cc1cc(N(C)C[C@@H]2CCOC2)nc[nH+]1 ZINC000223673147 344482215 /nfs/dbraw/zinc/48/22/15/344482215.db2.gz CEPWDMGCMUHOAB-JTQLQIEISA-N 1 2 207.277 1.258 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)OC ZINC000043628913 344528865 /nfs/dbraw/zinc/52/88/65/344528865.db2.gz CRRAGIIJXFIQQC-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)OC ZINC000043628913 344528866 /nfs/dbraw/zinc/52/88/66/344528866.db2.gz CRRAGIIJXFIQQC-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000669343688 487535491 /nfs/dbraw/zinc/53/54/91/487535491.db2.gz QSYSWNDNDDOERX-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO Cc1n[nH]cc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577496751 344533851 /nfs/dbraw/zinc/53/38/51/344533851.db2.gz LFPNRTGCYHPYCR-VIFPVBQESA-N 1 2 247.302 1.182 20 0 BDADLO CC[C@@H](CSC)Nc1nc(C)[nH+]c(N)n1 ZINC000389383603 344534669 /nfs/dbraw/zinc/53/46/69/344534669.db2.gz RIMCHSOCOAHQDS-ZETCQYMHSA-N 1 2 227.337 1.146 20 0 BDADLO CC[C@@H](CSC)Nc1nc(N)nc(C)[nH+]1 ZINC000389383603 344534671 /nfs/dbraw/zinc/53/46/71/344534671.db2.gz RIMCHSOCOAHQDS-ZETCQYMHSA-N 1 2 227.337 1.146 20 0 BDADLO Cc1noc(C)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000109829738 344535275 /nfs/dbraw/zinc/53/52/75/344535275.db2.gz QWFATDXEHCTYQN-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[C@H]1CCOC1 ZINC000573862380 344538262 /nfs/dbraw/zinc/53/82/62/344538262.db2.gz JTTGCUZAQGELIO-LBPRGKRZSA-N 1 2 235.331 1.744 20 0 BDADLO C[C@@H](CCO)CNc1cc(CO)cc[nH+]1 ZINC000641405894 362397572 /nfs/dbraw/zinc/39/75/72/362397572.db2.gz KDMBRCKQKTZJTR-VIFPVBQESA-N 1 2 210.277 1.004 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000641455831 362429612 /nfs/dbraw/zinc/42/96/12/362429612.db2.gz PZVFAYGDEJVGOC-OLZOCXBDSA-N 1 2 248.326 1.437 20 0 BDADLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000672777839 488266040 /nfs/dbraw/zinc/26/60/40/488266040.db2.gz DBYSGHXYEJTMMN-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCCS2)c1 ZINC000641430605 362413890 /nfs/dbraw/zinc/41/38/90/362413890.db2.gz BHUFTKHBJNIPFM-SNVBAGLBSA-N 1 2 224.329 1.881 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCCS2)c1 ZINC000641430604 362413918 /nfs/dbraw/zinc/41/39/18/362413918.db2.gz BHUFTKHBJNIPFM-JTQLQIEISA-N 1 2 224.329 1.881 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000669343688 487535496 /nfs/dbraw/zinc/53/54/96/487535496.db2.gz QSYSWNDNDDOERX-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000570891982 323073487 /nfs/dbraw/zinc/07/34/87/323073487.db2.gz FTUQPQXBPWBUDU-VHSXEESVSA-N 1 2 219.288 1.313 20 0 BDADLO CO[C@H]1CCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641481284 362448350 /nfs/dbraw/zinc/44/83/50/362448350.db2.gz WJOXCXFEKDKVCD-RYUDHWBXSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C[C@@H]1F ZINC000641483397 362451340 /nfs/dbraw/zinc/45/13/40/362451340.db2.gz NYPACFTXIPERTL-KOLCDFICSA-N 1 2 224.279 1.758 20 0 BDADLO Fc1c[nH+]ccc1NCC[C@@H]1CCOC1 ZINC000641486598 362453959 /nfs/dbraw/zinc/45/39/59/362453959.db2.gz GBXQWCPNVUNTMT-SECBINFHSA-N 1 2 210.252 1.481 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000641490747 362458682 /nfs/dbraw/zinc/45/86/82/362458682.db2.gz HURLZMHORNBRTK-QWHCGFSZSA-N 1 2 248.326 1.943 20 0 BDADLO OCC[C@@H](Nc1cc(CO)cc[nH+]1)c1ccco1 ZINC000641497840 362461747 /nfs/dbraw/zinc/46/17/47/362461747.db2.gz VYZRICZCFMRFKG-LLVKDONJSA-N 1 2 248.282 1.703 20 0 BDADLO CSCCCNc1cc(CO)cc[nH+]1 ZINC000603292669 349914531 /nfs/dbraw/zinc/91/45/31/349914531.db2.gz MRSDTJDPMYDTCR-UHFFFAOYSA-N 1 2 212.318 1.161 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cnccn1 ZINC000049236024 344600449 /nfs/dbraw/zinc/60/04/49/344600449.db2.gz YQJPNDFPPNWLDO-VIFPVBQESA-N 1 2 203.249 1.174 20 0 BDADLO OCc1cc[nH+]c(N[C@@H](CO)CC2CCC2)c1 ZINC000641545772 362493493 /nfs/dbraw/zinc/49/34/93/362493493.db2.gz IMLLLMGMXBIORT-GFCCVEGCSA-N 1 2 236.315 1.537 20 0 BDADLO OCc1cc[nH+]c(N[C@H](CO)CC(F)F)c1 ZINC000641536460 362486080 /nfs/dbraw/zinc/48/60/80/362486080.db2.gz MXBZDMWXZYTAMJ-QMMMGPOBSA-N 1 2 232.230 1.002 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1cc[nH+]cc1F ZINC000641537621 362487830 /nfs/dbraw/zinc/48/78/30/362487830.db2.gz OIIQFHCNRKSMNW-SCZZXKLOSA-N 1 2 210.252 1.480 20 0 BDADLO Fc1c[nH+]ccc1NC1CC(F)(F)C1 ZINC000641535356 362487903 /nfs/dbraw/zinc/48/79/03/362487903.db2.gz ADJSYGXENVZOGN-UHFFFAOYSA-N 1 2 202.179 1.852 20 0 BDADLO COC1(CO)CCN(c2cc[nH+]cc2F)CC1 ZINC000641541531 362489307 /nfs/dbraw/zinc/48/93/07/362489307.db2.gz RBFTYNIZEDNADX-UHFFFAOYSA-N 1 2 240.278 1.198 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(C)(C)C1 ZINC000620736209 344680735 /nfs/dbraw/zinc/68/07/35/344680735.db2.gz PZCHQIHGGWUIQB-GHMZBOCLSA-N 1 2 247.342 1.828 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005478 344668367 /nfs/dbraw/zinc/66/83/67/344668367.db2.gz DAICGHUEQRFBGT-NSHDSACASA-N 1 2 228.267 1.543 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005478 344668369 /nfs/dbraw/zinc/66/83/69/344668369.db2.gz DAICGHUEQRFBGT-NSHDSACASA-N 1 2 228.267 1.543 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(CC(F)F)C1 ZINC000425079286 192074284 /nfs/dbraw/zinc/07/42/84/192074284.db2.gz ZUZWOUMCRGXLBI-UHFFFAOYSA-N 1 2 243.257 1.374 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CC=CC1)CC2 ZINC000626100183 344738569 /nfs/dbraw/zinc/73/85/69/344738569.db2.gz GKACIFMJEDXMAY-NSHDSACASA-N 1 2 245.326 1.589 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@]23C[C@@H]2CCC3)n1 ZINC000351315184 344744460 /nfs/dbraw/zinc/74/44/60/344744460.db2.gz BIKBFTDJWICWBH-ZANVPECISA-N 1 2 244.298 1.836 20 0 BDADLO CCCCOCC[N@H+](CC)CC(=O)OC ZINC000049949421 344704069 /nfs/dbraw/zinc/70/40/69/344704069.db2.gz NCVCIZPAWABNEP-UHFFFAOYSA-N 1 2 217.309 1.298 20 0 BDADLO CCCCOCC[N@@H+](CC)CC(=O)OC ZINC000049949421 344704072 /nfs/dbraw/zinc/70/40/72/344704072.db2.gz NCVCIZPAWABNEP-UHFFFAOYSA-N 1 2 217.309 1.298 20 0 BDADLO C[N@H+](Cc1ncnn1CC(F)F)C1CCC1 ZINC000488419219 530029260 /nfs/dbraw/zinc/02/92/60/530029260.db2.gz GWTULFZCUKXZDS-UHFFFAOYSA-N 1 2 230.262 1.528 20 0 BDADLO C[N@@H+](Cc1ncnn1CC(F)F)C1CCC1 ZINC000488419219 530029261 /nfs/dbraw/zinc/02/92/61/530029261.db2.gz GWTULFZCUKXZDS-UHFFFAOYSA-N 1 2 230.262 1.528 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc2[nH+]ccn2c1 ZINC000425145779 192076497 /nfs/dbraw/zinc/07/64/97/192076497.db2.gz VEGAVSJXNVJLKZ-ZSBIGDGJSA-N 1 2 241.294 1.863 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000425152028 192077635 /nfs/dbraw/zinc/07/76/35/192077635.db2.gz HHTZAJWBMBIXEN-YFKTTZPYSA-N 1 2 245.326 1.360 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@@H]1C1CCCCC1 ZINC000077474070 344819847 /nfs/dbraw/zinc/81/98/47/344819847.db2.gz JUYOAKVCAVONBT-ZDUSSCGKSA-N 1 2 224.348 1.981 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@@H]1C1CCCCC1 ZINC000077474070 344819848 /nfs/dbraw/zinc/81/98/48/344819848.db2.gz JUYOAKVCAVONBT-ZDUSSCGKSA-N 1 2 224.348 1.981 20 0 BDADLO COC(C)(C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371782 347082808 /nfs/dbraw/zinc/08/28/08/347082808.db2.gz QYSPEVQPMPSMMK-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO COC(C)(C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371782 347082810 /nfs/dbraw/zinc/08/28/10/347082810.db2.gz QYSPEVQPMPSMMK-UHFFFAOYSA-N 1 2 237.303 1.110 20 0 BDADLO NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000077628114 344828289 /nfs/dbraw/zinc/82/82/89/344828289.db2.gz BTKWMNREHUQWMM-UHFFFAOYSA-N 1 2 230.271 1.100 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC000153332861 344852830 /nfs/dbraw/zinc/85/28/30/344852830.db2.gz PDWSZIFYQJXXEA-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1nc(NC[C@@H](C)C[C@@H](C)O)cc[nH+]1 ZINC000078299026 344842914 /nfs/dbraw/zinc/84/29/14/344842914.db2.gz VYMIASXPACKEMN-DTWKUNHWSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000628163681 344866225 /nfs/dbraw/zinc/86/62/25/344866225.db2.gz NMUXKHPQUJPSGA-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000628163681 344866230 /nfs/dbraw/zinc/86/62/30/344866230.db2.gz NMUXKHPQUJPSGA-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@H](F)C2)c1 ZINC000641552401 362496049 /nfs/dbraw/zinc/49/60/49/362496049.db2.gz IYACOTYGNITYTK-JTQLQIEISA-N 1 2 210.252 1.512 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@H]2c2ccco2)[nH+]1 ZINC000628173057 344894861 /nfs/dbraw/zinc/89/48/61/344894861.db2.gz GPAVRBXQVFLYOA-NSHDSACASA-N 1 2 247.298 1.885 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C)[C@H]2C)[nH+]c1C ZINC000628175947 344899896 /nfs/dbraw/zinc/89/98/96/344899896.db2.gz PAONJDNAJVDBSZ-MNOVXSKESA-N 1 2 223.320 1.636 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000628176156 344900813 /nfs/dbraw/zinc/90/08/13/344900813.db2.gz YMHDENPUNVVCHI-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000628176156 344900817 /nfs/dbraw/zinc/90/08/17/344900817.db2.gz YMHDENPUNVVCHI-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000153544085 344901470 /nfs/dbraw/zinc/90/14/70/344901470.db2.gz YMDJPVRUXMVTQE-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000153709722 344959772 /nfs/dbraw/zinc/95/97/72/344959772.db2.gz IKFOKBMCFNOGJD-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000153709722 344959776 /nfs/dbraw/zinc/95/97/76/344959776.db2.gz IKFOKBMCFNOGJD-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO c1cc(C[NH2+]Cc2cnc(C3CC3)o2)n[nH]1 ZINC000628200788 344973919 /nfs/dbraw/zinc/97/39/19/344973919.db2.gz AUYFMDGLGOULBF-UHFFFAOYSA-N 1 2 218.260 1.565 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000079577346 344992162 /nfs/dbraw/zinc/99/21/62/344992162.db2.gz JTHBZBALTCCOJO-QJPTWQEYSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(F)(F)F ZINC000079577380 344992198 /nfs/dbraw/zinc/99/21/98/344992198.db2.gz QGKVJZLJLQEBML-JGVFFNPUSA-N 1 2 249.236 1.586 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(F)(F)F ZINC000079577647 344992611 /nfs/dbraw/zinc/99/26/11/344992611.db2.gz XJGUNHAVXXSFDA-QMMMGPOBSA-N 1 2 249.236 1.730 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)on1 ZINC000583448834 344994792 /nfs/dbraw/zinc/99/47/92/344994792.db2.gz QQZMEYRLSNHECG-UFBFGSQYSA-N 1 2 238.287 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)on1 ZINC000583448834 344994793 /nfs/dbraw/zinc/99/47/93/344994793.db2.gz QQZMEYRLSNHECG-UFBFGSQYSA-N 1 2 238.287 1.080 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccccn2)on1 ZINC000044300914 345015489 /nfs/dbraw/zinc/01/54/89/345015489.db2.gz GWNUMHJHRSVWCT-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000154835898 345053396 /nfs/dbraw/zinc/05/33/96/345053396.db2.gz UBQDXQDCMKHOIC-STQMWFEESA-N 1 2 247.342 1.778 20 0 BDADLO C[C@@H](CCCO)CNc1cc[nH+]cc1F ZINC000641615766 362548139 /nfs/dbraw/zinc/54/81/39/362548139.db2.gz QWUUNLRKGMKKEJ-VIFPVBQESA-N 1 2 212.268 1.463 20 0 BDADLO C[C@@H](CCCCO)Nc1cc(CO)cc[nH+]1 ZINC000641615729 362548264 /nfs/dbraw/zinc/54/82/64/362548264.db2.gz GQAJAQDQGYACKH-JTQLQIEISA-N 1 2 224.304 1.537 20 0 BDADLO CC1(C)OCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641615586 362548556 /nfs/dbraw/zinc/54/85/56/362548556.db2.gz NNEOKCRCHGATGK-JTQLQIEISA-N 1 2 222.288 1.553 20 0 BDADLO C[C@H](CC(C)(C)O)Nc1cc(CO)cc[nH+]1 ZINC000641615597 362548904 /nfs/dbraw/zinc/54/89/04/362548904.db2.gz FOXMQQJNWCBECY-SECBINFHSA-N 1 2 224.304 1.535 20 0 BDADLO C[C@@H]1[C@H](CO)CCCN1c1cc(CO)cc[nH+]1 ZINC000641638795 362567745 /nfs/dbraw/zinc/56/77/45/362567745.db2.gz SWHSSXAIXUOWFY-PWSUYJOCSA-N 1 2 236.315 1.171 20 0 BDADLO C[C@H]1SCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641647135 362573468 /nfs/dbraw/zinc/57/34/68/362573468.db2.gz PRVJNDBGDIVAEM-PSASIEDQSA-N 1 2 224.329 1.880 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC1(F)F ZINC000673380553 488283021 /nfs/dbraw/zinc/28/30/21/488283021.db2.gz PWDNICREVKPXEC-SECBINFHSA-N 1 2 243.257 1.267 20 0 BDADLO COCC1(CNc2cc[nH+]cc2F)CC1 ZINC000641655545 362578599 /nfs/dbraw/zinc/57/85/99/362578599.db2.gz PCGFQRQJTLPZNL-UHFFFAOYSA-N 1 2 210.252 1.481 20 0 BDADLO Cc1cnc(NC(=O)NCCCn2cc[nH+]c2)o1 ZINC000080137873 345104778 /nfs/dbraw/zinc/10/47/78/345104778.db2.gz DOYLFSMESONQQR-UHFFFAOYSA-N 1 2 249.274 1.391 20 0 BDADLO OCCC[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641624786 362556997 /nfs/dbraw/zinc/55/69/97/362556997.db2.gz KFUKWARNOXCMNE-LLVKDONJSA-N 1 2 236.315 1.173 20 0 BDADLO CO[C@H]([C@@H](C)Nc1cc[nH+]cc1F)C1CC1 ZINC000641631942 362562597 /nfs/dbraw/zinc/56/25/97/362562597.db2.gz YMSRUDDVTDUMEM-PRHODGIISA-N 1 2 224.279 1.868 20 0 BDADLO O[C@@H]1[C@@H](Nc2cc[nH+]cc2F)CCCC1(F)F ZINC000641635358 362564959 /nfs/dbraw/zinc/56/49/59/362564959.db2.gz DRLCTAKLLBBROQ-VHSXEESVSA-N 1 2 246.232 1.603 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc[nH+]cc1F)CC2 ZINC000641660365 362582580 /nfs/dbraw/zinc/58/25/80/362582580.db2.gz ZHBGGLSULUOTLR-GZMMTYOYSA-N 1 2 208.236 1.182 20 0 BDADLO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccon1 ZINC000634986543 345166275 /nfs/dbraw/zinc/16/62/75/345166275.db2.gz YAQDVYHPWOWXEW-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@@H](O)COC)s1 ZINC000127316439 345172432 /nfs/dbraw/zinc/17/24/32/345172432.db2.gz VLCGOYMNUBCJAV-SECBINFHSA-N 1 2 244.360 1.145 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@@H](O)COC)s1 ZINC000127316439 345172435 /nfs/dbraw/zinc/17/24/35/345172435.db2.gz VLCGOYMNUBCJAV-SECBINFHSA-N 1 2 244.360 1.145 20 0 BDADLO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000080243754 345125447 /nfs/dbraw/zinc/12/54/47/345125447.db2.gz JUILWDCVVBRQPB-CQSZACIVSA-N 1 2 245.326 1.757 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNCc1ccon1 ZINC000634964348 345134032 /nfs/dbraw/zinc/13/40/32/345134032.db2.gz VMWZUUXOSXLHFQ-UHFFFAOYSA-N 1 2 234.303 1.817 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)no1 ZINC000634968750 345141277 /nfs/dbraw/zinc/14/12/77/345141277.db2.gz WNGUVHHYLJOJLB-SECBINFHSA-N 1 2 218.260 1.045 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccon1)[C@H](O)C(F)(F)F ZINC000634973633 345152249 /nfs/dbraw/zinc/15/22/49/345152249.db2.gz GTIHDMHHIVWCMH-SFYZADRCSA-N 1 2 238.209 1.466 20 0 BDADLO CN(C)c1cccc(C[NH2+]Cc2ccon2)n1 ZINC000634973762 345152335 /nfs/dbraw/zinc/15/23/35/345152335.db2.gz KEMTZOVZQISGRC-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCCC1 ZINC000635053988 345229058 /nfs/dbraw/zinc/22/90/58/345229058.db2.gz LYHKZRURPZXQKE-GHMZBOCLSA-N 1 2 233.315 1.916 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCCC1 ZINC000635053988 345229062 /nfs/dbraw/zinc/22/90/62/345229062.db2.gz LYHKZRURPZXQKE-GHMZBOCLSA-N 1 2 233.315 1.916 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCCC2)[nH+]1 ZINC000635055549 345229666 /nfs/dbraw/zinc/22/96/66/345229666.db2.gz XIVRFKDZMYGKGI-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCC(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000531193880 323085075 /nfs/dbraw/zinc/08/50/75/323085075.db2.gz CAQYNFVYWQONPY-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000531193880 323085076 /nfs/dbraw/zinc/08/50/76/323085076.db2.gz CAQYNFVYWQONPY-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO O=C(NCc1cccnc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635065563 345237588 /nfs/dbraw/zinc/23/75/88/345237588.db2.gz LCEMZRXPZLWEMZ-GHMZBOCLSA-N 1 2 242.282 1.225 20 0 BDADLO O=C(NCc1cccnc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635065563 345237590 /nfs/dbraw/zinc/23/75/90/345237590.db2.gz LCEMZRXPZLWEMZ-GHMZBOCLSA-N 1 2 242.282 1.225 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000408468358 345318821 /nfs/dbraw/zinc/31/88/21/345318821.db2.gz QFTVZBOLNYGUIN-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)[nH]1 ZINC000408468358 345318824 /nfs/dbraw/zinc/31/88/24/345318824.db2.gz QFTVZBOLNYGUIN-ONGXEEELSA-N 1 2 238.335 1.675 20 0 BDADLO O=C(NCC[C@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635202700 345271286 /nfs/dbraw/zinc/27/12/86/345271286.db2.gz DXMDXBHRCMCEDS-GMTAPVOTSA-N 1 2 249.314 1.199 20 0 BDADLO O=C(NCC[C@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635202700 345271290 /nfs/dbraw/zinc/27/12/90/345271290.db2.gz DXMDXBHRCMCEDS-GMTAPVOTSA-N 1 2 249.314 1.199 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000635244046 345282053 /nfs/dbraw/zinc/28/20/53/345282053.db2.gz MRFDWGDHKQTKNG-LNFKQOIKSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)CO1 ZINC000635244046 345282054 /nfs/dbraw/zinc/28/20/54/345282054.db2.gz MRFDWGDHKQTKNG-LNFKQOIKSA-N 1 2 249.314 1.149 20 0 BDADLO CCN(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635247729 345284124 /nfs/dbraw/zinc/28/41/24/345284124.db2.gz VVZANDBOFQCKTO-QMMMGPOBSA-N 1 2 249.236 1.855 20 0 BDADLO CC(C)C[C@H](C(=O)Nc1cn[nH]c1)n1cc[nH+]c1 ZINC000635278815 345293034 /nfs/dbraw/zinc/29/30/34/345293034.db2.gz DUBGZBBLLRDYKP-LLVKDONJSA-N 1 2 247.302 1.832 20 0 BDADLO Cc1occc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635409910 345353718 /nfs/dbraw/zinc/35/37/18/345353718.db2.gz ZJIZCLZWNHQZSR-GHMZBOCLSA-N 1 2 245.282 1.731 20 0 BDADLO Cc1occc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635409910 345353721 /nfs/dbraw/zinc/35/37/21/345353721.db2.gz ZJIZCLZWNHQZSR-GHMZBOCLSA-N 1 2 245.282 1.731 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2CC=CCC2)[nH+]1 ZINC000635429806 345365977 /nfs/dbraw/zinc/36/59/77/345365977.db2.gz PYHGZSPJKCEBHR-LLVKDONJSA-N 1 2 247.342 1.987 20 0 BDADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C)c1 ZINC000158727952 345370801 /nfs/dbraw/zinc/37/08/01/345370801.db2.gz XRWIACKXVRNAHY-STQMWFEESA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(C)c1 ZINC000158727952 345370805 /nfs/dbraw/zinc/37/08/05/345370805.db2.gz XRWIACKXVRNAHY-STQMWFEESA-N 1 2 249.310 1.103 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC000635363686 345326020 /nfs/dbraw/zinc/32/60/20/345326020.db2.gz XZAFGHBCVVRACC-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC000635363686 345326023 /nfs/dbraw/zinc/32/60/23/345326023.db2.gz XZAFGHBCVVRACC-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000635363615 345326351 /nfs/dbraw/zinc/32/63/51/345326351.db2.gz WOFRDPLIURPOMA-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000635363615 345326353 /nfs/dbraw/zinc/32/63/53/345326353.db2.gz WOFRDPLIURPOMA-HTQZYQBOSA-N 1 2 248.311 1.917 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H](CO)CC2)no1 ZINC000331574844 345423385 /nfs/dbraw/zinc/42/33/85/345423385.db2.gz FABVTOYSVQOQOB-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H](CO)CC2)no1 ZINC000331574844 345423386 /nfs/dbraw/zinc/42/33/86/345423386.db2.gz FABVTOYSVQOQOB-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO COCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080762083 345449352 /nfs/dbraw/zinc/44/93/52/345449352.db2.gz HVBMDANKFNMEKI-UHFFFAOYSA-N 1 2 220.276 1.715 20 0 BDADLO CC(C)c1nsc(N2CC[NH+](C)CC2)n1 ZINC000080761304 345449418 /nfs/dbraw/zinc/44/94/18/345449418.db2.gz GXTOIKAXEYIQSO-UHFFFAOYSA-N 1 2 226.349 1.413 20 0 BDADLO Cc1cc(N(C)[C@H](C)CO)nc(C(C)C)[nH+]1 ZINC000158994541 345395276 /nfs/dbraw/zinc/39/52/76/345395276.db2.gz RDCVSCLYBIGCAC-SNVBAGLBSA-N 1 2 223.320 1.725 20 0 BDADLO Cc1ccncc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635501123 345400614 /nfs/dbraw/zinc/40/06/14/345400614.db2.gz NCGCAKKNFJPQGA-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1ccncc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635501123 345400616 /nfs/dbraw/zinc/40/06/16/345400616.db2.gz NCGCAKKNFJPQGA-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000082274902 345500696 /nfs/dbraw/zinc/50/06/96/345500696.db2.gz ADBOFCKPEQDNHE-VIFPVBQESA-N 1 2 207.277 1.873 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000635538101 345505787 /nfs/dbraw/zinc/50/57/87/345505787.db2.gz NFIJRFUOIOAWSP-JTQLQIEISA-N 1 2 239.319 1.165 20 0 BDADLO Cc1n[nH]cc1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080970115 345456503 /nfs/dbraw/zinc/45/65/03/345456503.db2.gz WMWLCIPPBYTEFE-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C2CCOCC2)[nH+]1 ZINC000081009289 345460923 /nfs/dbraw/zinc/46/09/23/345460923.db2.gz XVRQZCUFGSVLHN-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CCC2)[nH+]1 ZINC000635534206 345480841 /nfs/dbraw/zinc/48/08/41/345480841.db2.gz DOFMSAQXPCSIFJ-UHFFFAOYSA-N 1 2 207.277 1.183 20 0 BDADLO CC(C)=CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000085871738 345535593 /nfs/dbraw/zinc/53/55/93/345535593.db2.gz XCNPMTOTPZFXPI-UHFFFAOYSA-N 1 2 220.320 1.622 20 0 BDADLO CC(C)=CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000085871738 345535597 /nfs/dbraw/zinc/53/55/97/345535597.db2.gz XCNPMTOTPZFXPI-UHFFFAOYSA-N 1 2 220.320 1.622 20 0 BDADLO C[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000091013455 345580298 /nfs/dbraw/zinc/58/02/98/345580298.db2.gz ZGUFTPIZWBIIQL-ZETCQYMHSA-N 1 2 218.260 1.005 20 0 BDADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000091538907 345597549 /nfs/dbraw/zinc/59/75/49/345597549.db2.gz QTSGBEBLZQSTJN-UHFFFAOYSA-N 1 2 224.308 1.253 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000091538907 345597550 /nfs/dbraw/zinc/59/75/50/345597550.db2.gz QTSGBEBLZQSTJN-UHFFFAOYSA-N 1 2 224.308 1.253 20 0 BDADLO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594435 345600396 /nfs/dbraw/zinc/60/03/96/345600396.db2.gz WYNOTLPZNIXQMF-VHSXEESVSA-N 1 2 238.335 1.499 20 0 BDADLO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594435 345600399 /nfs/dbraw/zinc/60/03/99/345600399.db2.gz WYNOTLPZNIXQMF-VHSXEESVSA-N 1 2 238.335 1.499 20 0 BDADLO COc1cncc(CNc2cc(C)[nH+]cn2)c1 ZINC000641673956 362597948 /nfs/dbraw/zinc/59/79/48/362597948.db2.gz YQEFEKWZGUDRRL-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO COC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC000092217365 345608059 /nfs/dbraw/zinc/60/80/59/345608059.db2.gz REBOMEKBMBZYFJ-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ccc(Cl)o1 ZINC000092381419 345617857 /nfs/dbraw/zinc/61/78/57/345617857.db2.gz DCANYNLKMIRTRR-UHFFFAOYSA-N 1 2 244.722 1.891 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ccc(Cl)o1 ZINC000092381419 345617860 /nfs/dbraw/zinc/61/78/60/345617860.db2.gz DCANYNLKMIRTRR-UHFFFAOYSA-N 1 2 244.722 1.891 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000092447748 345620607 /nfs/dbraw/zinc/62/06/07/345620607.db2.gz FRHXLLBAIKSSLL-KOLCDFICSA-N 1 2 220.272 1.754 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000635552388 345633079 /nfs/dbraw/zinc/63/30/79/345633079.db2.gz QXDJSCSUCHPSEB-LLVKDONJSA-N 1 2 236.315 1.548 20 0 BDADLO O[C@]12C[C@H]1CN(c1cc(C(F)(F)F)cc[nH+]1)C2 ZINC000641714218 362629975 /nfs/dbraw/zinc/62/99/75/362629975.db2.gz WOMOCLFPUBCVII-WPRPVWTQSA-N 1 2 244.216 1.671 20 0 BDADLO c1cn(CC2=CCCC2)c(CN2CCOCC2)[nH+]1 ZINC000641725507 362641171 /nfs/dbraw/zinc/64/11/71/362641171.db2.gz KZAJPKWUSFUCTR-UHFFFAOYSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cn[nH]c1 ZINC000379051772 345775902 /nfs/dbraw/zinc/77/59/02/345775902.db2.gz KFIDRIXAMLPFQF-QXEWZRGKSA-N 1 2 231.303 1.963 20 0 BDADLO Cc1ccc(O)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000139753077 345801766 /nfs/dbraw/zinc/80/17/66/345801766.db2.gz WOGWLSSTOKNHTH-SECBINFHSA-N 1 2 245.282 1.915 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000635595084 345881843 /nfs/dbraw/zinc/88/18/43/345881843.db2.gz CHEZPSHUONLIDD-UWVGGRQHSA-N 1 2 235.331 1.772 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC(C)(C)C2)[nH+]1 ZINC000635624079 345897654 /nfs/dbraw/zinc/89/76/54/345897654.db2.gz GREPEYZPBCZBTJ-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CC(C)C[C@@H](C(=O)NCC(F)F)n1cc[nH+]c1 ZINC000635634520 345908614 /nfs/dbraw/zinc/90/86/14/345908614.db2.gz XQAAUVQJBYJIAS-VIFPVBQESA-N 1 2 245.273 1.852 20 0 BDADLO CCc1cc(N[C@H](C)CN2CCCC2=O)nc[nH+]1 ZINC000603383582 349941042 /nfs/dbraw/zinc/94/10/42/349941042.db2.gz GRVORCJUZXINLL-SNVBAGLBSA-N 1 2 248.330 1.462 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000635673223 345971281 /nfs/dbraw/zinc/97/12/81/345971281.db2.gz FYLYRJZUXPVMHS-PHIMTYICSA-N 1 2 247.342 1.773 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000635676133 345972584 /nfs/dbraw/zinc/97/25/84/345972584.db2.gz WBGDCOYNAHCMNR-DDHJBXDOSA-N 1 2 245.326 1.772 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000635676133 345972586 /nfs/dbraw/zinc/97/25/86/345972586.db2.gz WBGDCOYNAHCMNR-DDHJBXDOSA-N 1 2 245.326 1.772 20 0 BDADLO CCOC(=O)CCSCCCn1cc[nH+]c1 ZINC000601096271 346023512 /nfs/dbraw/zinc/02/35/12/346023512.db2.gz SNUWIPVVJUDIGR-UHFFFAOYSA-N 1 2 242.344 1.960 20 0 BDADLO Cc1cccc(CN2CCc3c([nH+]cn3C)C2)n1 ZINC000605575313 346009319 /nfs/dbraw/zinc/00/93/19/346009319.db2.gz ADZHLRNCFBPYEN-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO COC(=O)C(C)(C)CSCc1[nH+]ccn1C ZINC000601087922 346017687 /nfs/dbraw/zinc/01/76/87/346017687.db2.gz YMYURLAYWNXWTO-UHFFFAOYSA-N 1 2 242.344 1.853 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ncoc2C)[nH+]1 ZINC000635742365 346054718 /nfs/dbraw/zinc/05/47/18/346054718.db2.gz AXFIFTGGCZPMHE-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CCNc1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000601098948 346025152 /nfs/dbraw/zinc/02/51/52/346025152.db2.gz LNWYFLXAEJODAD-UHFFFAOYSA-N 1 2 237.303 1.134 20 0 BDADLO Nc1ccc(CNC(=O)Nc2cccnc2)c[nH+]1 ZINC000192030358 346079844 /nfs/dbraw/zinc/07/98/44/346079844.db2.gz RDPUHASPYSBFJH-UHFFFAOYSA-N 1 2 243.270 1.381 20 0 BDADLO O=C(N[C@H]1CC12CCCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635856018 346091722 /nfs/dbraw/zinc/09/17/22/346091722.db2.gz TXYJLYJWMVQPOV-FOGDFJRCSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(N[C@H]1CC12CCCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635856018 346091725 /nfs/dbraw/zinc/09/17/25/346091725.db2.gz TXYJLYJWMVQPOV-FOGDFJRCSA-N 1 2 245.326 1.962 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000635870141 346092367 /nfs/dbraw/zinc/09/23/67/346092367.db2.gz VUQIIIGPSNBUKN-JTQLQIEISA-N 1 2 249.314 1.518 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635888347 346098976 /nfs/dbraw/zinc/09/89/76/346098976.db2.gz PUOVDTAUBCWYID-MVWJERBFSA-N 1 2 245.326 1.938 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635888347 346098977 /nfs/dbraw/zinc/09/89/77/346098977.db2.gz PUOVDTAUBCWYID-MVWJERBFSA-N 1 2 245.326 1.938 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccccn1 ZINC000169798192 346103183 /nfs/dbraw/zinc/10/31/83/346103183.db2.gz CGVIABPXGCFZHC-SNVBAGLBSA-N 1 2 242.282 1.023 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635794112 346064694 /nfs/dbraw/zinc/06/46/94/346064694.db2.gz ITFCHZVBMMOUSH-HTQZYQBOSA-N 1 2 243.257 1.627 20 0 BDADLO CCN(CC(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635794112 346064697 /nfs/dbraw/zinc/06/46/97/346064697.db2.gz ITFCHZVBMMOUSH-HTQZYQBOSA-N 1 2 243.257 1.627 20 0 BDADLO O=C(NCC[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635795302 346065692 /nfs/dbraw/zinc/06/56/92/346065692.db2.gz RTOJIWOQVDPWQR-HBNTYKKESA-N 1 2 249.314 1.056 20 0 BDADLO O=C(NCC[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635795302 346065694 /nfs/dbraw/zinc/06/56/94/346065694.db2.gz RTOJIWOQVDPWQR-HBNTYKKESA-N 1 2 249.314 1.056 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@H]2C)[nH+]1 ZINC000635927037 346116657 /nfs/dbraw/zinc/11/66/57/346116657.db2.gz WVKVMMJVTRZHJM-PSASIEDQSA-N 1 2 221.304 1.429 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000635951649 346121788 /nfs/dbraw/zinc/12/17/88/346121788.db2.gz VOFJFBXFOJUKTA-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCOC1 ZINC000635951649 346121790 /nfs/dbraw/zinc/12/17/90/346121790.db2.gz VOFJFBXFOJUKTA-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO Cc1ccoc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635954200 346123012 /nfs/dbraw/zinc/12/30/12/346123012.db2.gz LLXPVUSADPKYBA-NXEZZACHSA-N 1 2 245.282 1.731 20 0 BDADLO Cc1ccoc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635954200 346123014 /nfs/dbraw/zinc/12/30/14/346123014.db2.gz LLXPVUSADPKYBA-NXEZZACHSA-N 1 2 245.282 1.731 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000635967293 346126618 /nfs/dbraw/zinc/12/66/18/346126618.db2.gz YKUPERKZXJZGIT-AXTSPUMRSA-N 1 2 219.288 1.380 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000635967293 346126619 /nfs/dbraw/zinc/12/66/19/346126619.db2.gz YKUPERKZXJZGIT-AXTSPUMRSA-N 1 2 219.288 1.380 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](CC)C(F)F)[nH+]1 ZINC000635973666 346129332 /nfs/dbraw/zinc/12/93/32/346129332.db2.gz PFSIGLNIVQKWQC-MRVPVSSYSA-N 1 2 245.273 1.675 20 0 BDADLO CSCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587036193 346171330 /nfs/dbraw/zinc/17/13/30/346171330.db2.gz NIOSFJPGONIAJB-SECBINFHSA-N 1 2 239.344 1.067 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000628241143 346203704 /nfs/dbraw/zinc/20/37/04/346203704.db2.gz KDZPDPFROWOTBU-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000628241143 346203706 /nfs/dbraw/zinc/20/37/06/346203706.db2.gz KDZPDPFROWOTBU-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H](n3cncn3)C2)[nH+]c1C ZINC000628241327 346204004 /nfs/dbraw/zinc/20/40/04/346204004.db2.gz RGSXJVVCQQELSA-LLVKDONJSA-N 1 2 246.318 1.065 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](n3cncn3)C2)[nH]c1C ZINC000628241327 346204008 /nfs/dbraw/zinc/20/40/08/346204008.db2.gz RGSXJVVCQQELSA-LLVKDONJSA-N 1 2 246.318 1.065 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](n3cncn3)C2)[nH]c1C ZINC000628241327 346204011 /nfs/dbraw/zinc/20/40/11/346204011.db2.gz RGSXJVVCQQELSA-LLVKDONJSA-N 1 2 246.318 1.065 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)o1 ZINC000628255248 346248432 /nfs/dbraw/zinc/24/84/32/346248432.db2.gz HHZKBXADRGFHCR-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)o1 ZINC000628255248 346248434 /nfs/dbraw/zinc/24/84/34/346248434.db2.gz HHZKBXADRGFHCR-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO CC[N@H+](Cc1cnc(C2CC2)o1)[C@@H]1CCNC1=O ZINC000628262140 346261141 /nfs/dbraw/zinc/26/11/41/346261141.db2.gz YLNJJLWMPKOBTA-LLVKDONJSA-N 1 2 249.314 1.262 20 0 BDADLO CC[N@@H+](Cc1cnc(C2CC2)o1)[C@@H]1CCNC1=O ZINC000628262140 346261143 /nfs/dbraw/zinc/26/11/43/346261143.db2.gz YLNJJLWMPKOBTA-LLVKDONJSA-N 1 2 249.314 1.262 20 0 BDADLO C[C@]1(C[N@H+](CCO)CC(F)F)CCCS1 ZINC000628256377 346254448 /nfs/dbraw/zinc/25/44/48/346254448.db2.gz UAZHMXFZXDLRLC-SNVBAGLBSA-N 1 2 239.331 1.832 20 0 BDADLO C[C@]1(C[N@@H+](CCO)CC(F)F)CCCS1 ZINC000628256377 346254449 /nfs/dbraw/zinc/25/44/49/346254449.db2.gz UAZHMXFZXDLRLC-SNVBAGLBSA-N 1 2 239.331 1.832 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@@H]2CC(F)F)[nH+]1 ZINC000628275394 346285032 /nfs/dbraw/zinc/28/50/32/346285032.db2.gz LWAMSHWJDURHIL-VIFPVBQESA-N 1 2 245.273 1.574 20 0 BDADLO COCCn1cc(C[NH2+]C(C)(C)C(F)F)cn1 ZINC000684413575 488309337 /nfs/dbraw/zinc/30/93/37/488309337.db2.gz PYGUZVIJEZNIFK-UHFFFAOYSA-N 1 2 247.289 1.663 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000279801643 346266761 /nfs/dbraw/zinc/26/67/61/346266761.db2.gz PEZNZXLDNHNJCI-SNVBAGLBSA-N 1 2 210.277 1.066 20 0 BDADLO C/C=C\C[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163020 346274357 /nfs/dbraw/zinc/27/43/57/346274357.db2.gz CRIJPBLHKHQNDM-ZMWSMAPVSA-N 1 2 236.319 1.689 20 0 BDADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000626163020 346274360 /nfs/dbraw/zinc/27/43/60/346274360.db2.gz CRIJPBLHKHQNDM-ZMWSMAPVSA-N 1 2 236.319 1.689 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2C[C@H]2C2CCC2)[nH+]1 ZINC000636057551 346304373 /nfs/dbraw/zinc/30/43/73/346304373.db2.gz PWXIVZRHNHMWEH-NWDGAFQWSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1c[nH]c(CN(C)C[C@H](O)C(F)(F)F)[nH+]1 ZINC000628280182 346290297 /nfs/dbraw/zinc/29/02/97/346290297.db2.gz UNWGVWXLJQHCKY-ZETCQYMHSA-N 1 2 237.225 1.073 20 0 BDADLO Cc1[nH]c(CN(C)C[C@H](O)C2CC2)[nH+]c1C ZINC000628279769 346290379 /nfs/dbraw/zinc/29/03/79/346290379.db2.gz YNXVDECLKFHHGK-NSHDSACASA-N 1 2 223.320 1.229 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC12CC2 ZINC000636101509 346319880 /nfs/dbraw/zinc/31/98/80/346319880.db2.gz ILVWVNORGBEEQA-GXSJLCMTSA-N 1 2 231.299 1.114 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC(CC2CC2)C1 ZINC000636244710 346367253 /nfs/dbraw/zinc/36/72/53/346367253.db2.gz ZMKYTBVYDKHWQA-VXGBXAGGSA-N 1 2 245.326 1.772 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC(CC2CC2)C1 ZINC000636244710 346367255 /nfs/dbraw/zinc/36/72/55/346367255.db2.gz ZMKYTBVYDKHWQA-VXGBXAGGSA-N 1 2 245.326 1.772 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636228587 346362037 /nfs/dbraw/zinc/36/20/37/346362037.db2.gz PNOMUBJAAGMISQ-KKFJDGPESA-N 1 2 233.315 1.818 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636228587 346362039 /nfs/dbraw/zinc/36/20/39/346362039.db2.gz PNOMUBJAAGMISQ-KKFJDGPESA-N 1 2 233.315 1.818 20 0 BDADLO Cc1c[nH+]c(C)nc1NC1CCS(=O)CC1 ZINC000567366770 323121725 /nfs/dbraw/zinc/12/17/25/323121725.db2.gz JQJSZYFYKYOBNA-UHFFFAOYSA-N 1 2 239.344 1.416 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332982241 537971608 /nfs/dbraw/zinc/97/16/08/537971608.db2.gz PCMUDYBFRUINNB-NXEZZACHSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cnn(C)c2)n1 ZINC000336715938 179069958 /nfs/dbraw/zinc/06/99/58/179069958.db2.gz VGJYWDRSPMZBJT-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cnn(C)c2)n1 ZINC000336715938 179069961 /nfs/dbraw/zinc/06/99/61/179069961.db2.gz VGJYWDRSPMZBJT-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(Cl)cn1 ZINC000679215564 488317301 /nfs/dbraw/zinc/31/73/01/488317301.db2.gz YVYAYIOGTSDIKF-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000679215564 488317302 /nfs/dbraw/zinc/31/73/02/488317302.db2.gz YVYAYIOGTSDIKF-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO Cc1cccc(C[N@@H+](CC(N)=O)C(C)C)c1F ZINC000294587168 179071192 /nfs/dbraw/zinc/07/11/92/179071192.db2.gz RJRAXYJAIXQPCG-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO Cc1cccc(C[N@H+](CC(N)=O)C(C)C)c1F ZINC000294587168 179071196 /nfs/dbraw/zinc/07/11/96/179071196.db2.gz RJRAXYJAIXQPCG-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CC[S@](=O)C1 ZINC000563420747 323124151 /nfs/dbraw/zinc/12/41/51/323124151.db2.gz XKEAKHLVDJDQTD-VFZGTOFNSA-N 1 2 225.317 1.026 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC(C)C)C2)o1 ZINC000574914278 346412415 /nfs/dbraw/zinc/41/24/15/346412415.db2.gz GWAHRAORYJHZJT-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](OC(C)C)C2)o1 ZINC000574914278 346412417 /nfs/dbraw/zinc/41/24/17/346412417.db2.gz GWAHRAORYJHZJT-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CO[C@@H]1CN(c2nc(C)[nH+]cc2C)CC[C@@H]1C ZINC000574927823 346416540 /nfs/dbraw/zinc/41/65/40/346416540.db2.gz YFIGYGBBMVLYFF-JOYOIKCWSA-N 1 2 235.331 1.955 20 0 BDADLO CCCCCOCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000563412414 323124818 /nfs/dbraw/zinc/12/48/18/323124818.db2.gz DSMHYJQDTJXYTA-SNVBAGLBSA-N 1 2 239.319 1.794 20 0 BDADLO CC[C@@H](C[NH2+]C1(C(=O)OC)CCCCC1)OC ZINC000419204046 192103150 /nfs/dbraw/zinc/10/31/50/192103150.db2.gz ILGVABBCTDPAIT-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(CC(F)F)C2 ZINC000603413941 349963095 /nfs/dbraw/zinc/96/30/95/349963095.db2.gz NNDBYYDEJDLXKY-UHFFFAOYSA-N 1 2 215.247 1.581 20 0 BDADLO CC(=O)N1CC[C@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000176547631 365814799 /nfs/dbraw/zinc/81/47/99/365814799.db2.gz VGPPGBNVOBZEPP-NSHDSACASA-N 1 2 247.298 1.197 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)C1CC1)n1cc[nH+]c1 ZINC000580081560 346515468 /nfs/dbraw/zinc/51/54/68/346515468.db2.gz UTIQUESFTDFKLD-ZJUUUORDSA-N 1 2 221.304 1.749 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)Cn1cccn1 ZINC000580605854 365818809 /nfs/dbraw/zinc/81/88/09/365818809.db2.gz YLUZDLPPLSEAJI-JTQLQIEISA-N 1 2 231.303 1.212 20 0 BDADLO CCC[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000069642245 362767618 /nfs/dbraw/zinc/76/76/18/362767618.db2.gz WNIUMAOCCUCVEB-JTQLQIEISA-N 1 2 223.320 1.815 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684496480 488322176 /nfs/dbraw/zinc/32/21/76/488322176.db2.gz CJHUROYDTKZARM-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684496480 488322178 /nfs/dbraw/zinc/32/21/78/488322178.db2.gz CJHUROYDTKZARM-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000163882982 346580941 /nfs/dbraw/zinc/58/09/41/346580941.db2.gz BAEPPQARNZUGGF-LLVKDONJSA-N 1 2 243.310 1.997 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679228629 488322866 /nfs/dbraw/zinc/32/28/66/488322866.db2.gz YKHJOCSUGKKUFE-QWRGUYRKSA-N 1 2 230.327 1.535 20 0 BDADLO Cc1cc(NCc2cncs2)nc[nH+]1 ZINC000164544681 346608934 /nfs/dbraw/zinc/60/89/34/346608934.db2.gz OCGBKGLWTKYIJM-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000401350255 346635533 /nfs/dbraw/zinc/63/55/33/346635533.db2.gz WYGLEEIENZDOSV-NXEZZACHSA-N 1 2 237.303 1.404 20 0 BDADLO CCc1noc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000589604214 346717757 /nfs/dbraw/zinc/71/77/57/346717757.db2.gz JKMAXKCPTMRWDX-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000589604214 346717759 /nfs/dbraw/zinc/71/77/59/346717759.db2.gz JKMAXKCPTMRWDX-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO O=C(c1ccoc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589988932 346762113 /nfs/dbraw/zinc/76/21/13/346762113.db2.gz OSFRJOOSFSULCT-UHFFFAOYSA-N 1 2 244.250 1.578 20 0 BDADLO Cc1c[nH]c(CN(C(C)C)C2COC2)[nH+]1 ZINC000628297142 347245443 /nfs/dbraw/zinc/24/54/43/347245443.db2.gz LOCGSUQMMBKFKN-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cnns1 ZINC000188201409 347275136 /nfs/dbraw/zinc/27/51/36/347275136.db2.gz KZPCTCMNKXKHLD-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1cnns1 ZINC000188201409 347275137 /nfs/dbraw/zinc/27/51/37/347275137.db2.gz KZPCTCMNKXKHLD-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO Cc1[nH]c(C(=O)NCc2nccs2)c[nH+]1 ZINC000082268170 347323125 /nfs/dbraw/zinc/32/31/25/347323125.db2.gz SYLVOWJUUAZUBD-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO CC1(C)C[NH+](Cc2cnc[nH]2)CC(C)(C)O1 ZINC000191195171 347345306 /nfs/dbraw/zinc/34/53/06/347345306.db2.gz KAMVYGWINISPIH-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC1(C)C[NH+](Cc2c[nH]cn2)CC(C)(C)O1 ZINC000191195171 347345311 /nfs/dbraw/zinc/34/53/11/347345311.db2.gz KAMVYGWINISPIH-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)NCCc1[nH]cc[nH+]1 ZINC000189396324 347301983 /nfs/dbraw/zinc/30/19/83/347301983.db2.gz GXUKHYXUJRGNTF-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO CCc1nocc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921079 347450448 /nfs/dbraw/zinc/45/04/48/347450448.db2.gz FAVSPSXKEGCMFY-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CCc1nocc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921079 347450450 /nfs/dbraw/zinc/45/04/50/347450450.db2.gz FAVSPSXKEGCMFY-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616921348 347450985 /nfs/dbraw/zinc/45/09/85/347450985.db2.gz NSGUAZOBJMFUNF-MWLCHTKSSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616921348 347450990 /nfs/dbraw/zinc/45/09/90/347450990.db2.gz NSGUAZOBJMFUNF-MWLCHTKSSA-N 1 2 237.303 1.183 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)N1CCCCCC1 ZINC000396808705 362835253 /nfs/dbraw/zinc/83/52/53/362835253.db2.gz ARQFKISIUGCERK-UHFFFAOYSA-N 1 2 248.330 1.764 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)N1CCCCCC1 ZINC000396808705 362835257 /nfs/dbraw/zinc/83/52/57/362835257.db2.gz ARQFKISIUGCERK-UHFFFAOYSA-N 1 2 248.330 1.764 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C12CCC(CC1)C2 ZINC000616927480 347453270 /nfs/dbraw/zinc/45/32/70/347453270.db2.gz JGNCPXDJUVQGEA-UHFFFAOYSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C12CCC(CC1)C2 ZINC000616927480 347453272 /nfs/dbraw/zinc/45/32/72/347453272.db2.gz JGNCPXDJUVQGEA-UHFFFAOYSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC(C)(F)F ZINC000616923514 347453406 /nfs/dbraw/zinc/45/34/06/347453406.db2.gz KDVASMXBBGFZMD-UHFFFAOYSA-N 1 2 231.246 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC(C)(F)F ZINC000616923514 347453410 /nfs/dbraw/zinc/45/34/10/347453410.db2.gz KDVASMXBBGFZMD-UHFFFAOYSA-N 1 2 231.246 1.804 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC[C@@H]1CCCO1 ZINC000616923578 347453711 /nfs/dbraw/zinc/45/37/11/347453711.db2.gz MSNTZEYOODLNRY-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC[C@@H]1CCCO1 ZINC000616923578 347453715 /nfs/dbraw/zinc/45/37/15/347453715.db2.gz MSNTZEYOODLNRY-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000152570766 362839589 /nfs/dbraw/zinc/83/95/89/362839589.db2.gz HTQMMSNALHKPKA-NSHDSACASA-N 1 2 246.314 1.387 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925667 347457000 /nfs/dbraw/zinc/45/70/00/347457000.db2.gz MPHDUBHZZSXPMK-SECBINFHSA-N 1 2 209.293 1.660 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925667 347457004 /nfs/dbraw/zinc/45/70/04/347457004.db2.gz MPHDUBHZZSXPMK-SECBINFHSA-N 1 2 209.293 1.660 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(F)cn1 ZINC000590675973 347489102 /nfs/dbraw/zinc/48/91/02/347489102.db2.gz FFNSRMUQQLILRB-UHFFFAOYSA-N 1 2 248.261 1.836 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590732690 347494066 /nfs/dbraw/zinc/49/40/66/347494066.db2.gz ODABDOSJPGXCCK-WOPDTQHZSA-N 1 2 233.315 1.703 20 0 BDADLO COCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725842 347496095 /nfs/dbraw/zinc/49/60/95/347496095.db2.gz XPSWVTAMXVCINC-LLVKDONJSA-N 1 2 237.303 1.083 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C(C)(F)F ZINC000616929314 347497476 /nfs/dbraw/zinc/49/74/76/347497476.db2.gz XYNJDWANSLQPAZ-ZETCQYMHSA-N 1 2 231.246 1.659 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000616929314 347497477 /nfs/dbraw/zinc/49/74/77/347497477.db2.gz XYNJDWANSLQPAZ-ZETCQYMHSA-N 1 2 231.246 1.659 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616926504 347457981 /nfs/dbraw/zinc/45/79/81/347457981.db2.gz FNHXEAYKNALYQK-WDEREUQCSA-N 1 2 237.303 1.326 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616926504 347457983 /nfs/dbraw/zinc/45/79/83/347457983.db2.gz FNHXEAYKNALYQK-WDEREUQCSA-N 1 2 237.303 1.326 20 0 BDADLO COCCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616926813 347459724 /nfs/dbraw/zinc/45/97/24/347459724.db2.gz QTMHWKUCQZRCQV-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COCCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616926813 347459726 /nfs/dbraw/zinc/45/97/26/347459726.db2.gz QTMHWKUCQZRCQV-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000616927413 347460292 /nfs/dbraw/zinc/46/02/92/347460292.db2.gz IOBHLNOMYUJYTA-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO COC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000616927413 347460295 /nfs/dbraw/zinc/46/02/95/347460295.db2.gz IOBHLNOMYUJYTA-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)[C@H](CC)N1CCc2[nH+]c[nH]c2C1 ZINC000590600155 347480516 /nfs/dbraw/zinc/48/05/16/347480516.db2.gz LJSKYVUTPXHTTJ-NSHDSACASA-N 1 2 237.303 1.110 20 0 BDADLO CC(C)(NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000571616890 323149502 /nfs/dbraw/zinc/14/95/02/323149502.db2.gz DBNAFHQLILJJQA-UHFFFAOYSA-N 1 2 221.304 1.578 20 0 BDADLO Cc1cc(CNCC[N@H+]2CC=CCC2)on1 ZINC000392245536 347514650 /nfs/dbraw/zinc/51/46/50/347514650.db2.gz PUZWUVVAYOCHKK-UHFFFAOYSA-N 1 2 221.304 1.335 20 0 BDADLO Cc1cc(CNCC[N@@H+]2CC=CCC2)on1 ZINC000392245536 347514655 /nfs/dbraw/zinc/51/46/55/347514655.db2.gz PUZWUVVAYOCHKK-UHFFFAOYSA-N 1 2 221.304 1.335 20 0 BDADLO CC[C@H](C)N(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000616977887 347560433 /nfs/dbraw/zinc/56/04/33/347560433.db2.gz PHLRRDRWYJIIFF-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO CC[C@H](C)N(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000616977887 347560436 /nfs/dbraw/zinc/56/04/36/347560436.db2.gz PHLRRDRWYJIIFF-JTQLQIEISA-N 1 2 223.320 1.989 20 0 BDADLO CCC[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000590845140 347572870 /nfs/dbraw/zinc/57/28/70/347572870.db2.gz ZJFXHVQJOURKGX-SECBINFHSA-N 1 2 224.308 1.408 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1C2CCC1CC2 ZINC000590871848 347577812 /nfs/dbraw/zinc/57/78/12/347577812.db2.gz PUXBNDWQZGNUOZ-UHFFFAOYSA-N 1 2 234.303 1.257 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(OC)C2)cc1 ZINC000198393899 347636161 /nfs/dbraw/zinc/63/61/61/347636161.db2.gz HAGSZJYDMCUWLS-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCn1ncc(C)c1NC(=O)Cc1[nH]c[nH+]c1C ZINC000618438261 347689126 /nfs/dbraw/zinc/68/91/26/347689126.db2.gz MAJRJUFPBCFEEE-UHFFFAOYSA-N 1 2 247.302 1.424 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](OC)C1CC1)C(C)(C)C ZINC000591845345 347706228 /nfs/dbraw/zinc/70/62/28/347706228.db2.gz NYGLOSFKWUVGJM-QWRGUYRKSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1nc(CN2CCC[C@H](n3cc[nH+]c3)C2)no1 ZINC000591867980 347707972 /nfs/dbraw/zinc/70/79/72/347707972.db2.gz VEZUXHCZEBNINJ-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1=CCCC1)C1CC1 ZINC000592111272 347735388 /nfs/dbraw/zinc/73/53/88/347735388.db2.gz JWYNBSFYXWUASR-NSHDSACASA-N 1 2 209.289 1.638 20 0 BDADLO CC[C@](COC)([NH2+]CC1=CCCC1)C(=O)OC ZINC000592124516 347738140 /nfs/dbraw/zinc/73/81/40/347738140.db2.gz GHQRAMPOIGKLHV-CYBMUJFWSA-N 1 2 241.331 1.655 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592188959 347761528 /nfs/dbraw/zinc/76/15/28/347761528.db2.gz RVTXFLAVMCMEIN-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592188959 347761531 /nfs/dbraw/zinc/76/15/31/347761531.db2.gz RVTXFLAVMCMEIN-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO CNC(=O)CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000577290636 365918469 /nfs/dbraw/zinc/91/84/69/365918469.db2.gz SWCREEANVUZDNU-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO CNC(=O)CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000577290636 365918474 /nfs/dbraw/zinc/91/84/74/365918474.db2.gz SWCREEANVUZDNU-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679682682 488364522 /nfs/dbraw/zinc/36/45/22/488364522.db2.gz SRAUOBYANDOOCJ-SECBINFHSA-N 1 2 245.273 1.624 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679682682 488364523 /nfs/dbraw/zinc/36/45/23/488364523.db2.gz SRAUOBYANDOOCJ-SECBINFHSA-N 1 2 245.273 1.624 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@@H](OC(F)F)C1 ZINC000679682682 488364524 /nfs/dbraw/zinc/36/45/24/488364524.db2.gz SRAUOBYANDOOCJ-SECBINFHSA-N 1 2 245.273 1.624 20 0 BDADLO CC[C@H](NC(=O)C[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000333416739 537993029 /nfs/dbraw/zinc/99/30/29/537993029.db2.gz FFIVCJOOXINMQW-UWVGGRQHSA-N 1 2 237.303 1.404 20 0 BDADLO CCc1ncncc1C(=O)Nc1cc[nH+]cc1C ZINC000593275462 347876984 /nfs/dbraw/zinc/87/69/84/347876984.db2.gz GVGIKKXQJDCOLP-UHFFFAOYSA-N 1 2 242.282 1.417 20 0 BDADLO COC(=O)[C@H](CNc1cc(C)[nH+]cn1)CC1CC1 ZINC000593496780 347906327 /nfs/dbraw/zinc/90/63/27/347906327.db2.gz FEQLWXPATJRGQE-NSHDSACASA-N 1 2 249.314 1.208 20 0 BDADLO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C(=O)OC ZINC000593620797 347916690 /nfs/dbraw/zinc/91/66/90/347916690.db2.gz INZXXZYTQVVJCC-VHSXEESVSA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cocn1 ZINC000594061386 347996441 /nfs/dbraw/zinc/99/64/41/347996441.db2.gz PTWBMLJTABLQQB-UHFFFAOYSA-N 1 2 234.303 1.985 20 0 BDADLO c1nc(C[NH2+]Cc2[nH]nc3ccccc32)co1 ZINC000594062688 347997569 /nfs/dbraw/zinc/99/75/69/347997569.db2.gz RDPRGYXDZZUMNU-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO CCSCCCNc1nc[nH+]c(C)c1OC ZINC000594586931 348077125 /nfs/dbraw/zinc/07/71/25/348077125.db2.gz SAIAEYIVBMOJOE-UHFFFAOYSA-N 1 2 241.360 1.771 20 0 BDADLO CC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594930250 348139646 /nfs/dbraw/zinc/13/96/46/348139646.db2.gz DENGHZZYWJWKKL-VWYCJHECSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H](CSCCF)[NH2+]Cc1ccn[nH]1 ZINC000595021553 348172062 /nfs/dbraw/zinc/17/20/62/348172062.db2.gz ZLXIUEZLANFMDP-QMMMGPOBSA-N 1 2 217.313 1.591 20 0 BDADLO CCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000616571157 348172710 /nfs/dbraw/zinc/17/27/10/348172710.db2.gz JUFRWWNBNVDCFS-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](OC)C1CCC1 ZINC000595307201 348222184 /nfs/dbraw/zinc/22/21/84/348222184.db2.gz IWWUGBRXBFTXBR-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(NCCOCC(F)(F)F)nc[nH+]1 ZINC000082627728 348190510 /nfs/dbraw/zinc/19/05/10/348190510.db2.gz ZWJHDWYCFADZRK-UHFFFAOYSA-N 1 2 235.209 1.776 20 0 BDADLO CCC(CC)C[NH2+][C@@](C)(COC)C(=O)OC ZINC000595408506 348240772 /nfs/dbraw/zinc/24/07/72/348240772.db2.gz QSCZIGILVYROGQ-LBPRGKRZSA-N 1 2 231.336 1.590 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](OC)C1CCC1)C(C)C ZINC000595432556 348249015 /nfs/dbraw/zinc/24/90/15/348249015.db2.gz SADGLHDUVXBJBN-VXGBXAGGSA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1CC=CC1 ZINC000595465752 348257626 /nfs/dbraw/zinc/25/76/26/348257626.db2.gz FTQVHNVFCFTKIL-QWRGUYRKSA-N 1 2 227.279 1.538 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1CC=CC1 ZINC000595465752 348257629 /nfs/dbraw/zinc/25/76/29/348257629.db2.gz FTQVHNVFCFTKIL-QWRGUYRKSA-N 1 2 227.279 1.538 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC1CCC1 ZINC000595465917 348257791 /nfs/dbraw/zinc/25/77/91/348257791.db2.gz GFFJEIWKCIGLPO-QWRGUYRKSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC1CCC1 ZINC000595465917 348257794 /nfs/dbraw/zinc/25/77/94/348257794.db2.gz GFFJEIWKCIGLPO-QWRGUYRKSA-N 1 2 229.295 1.762 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000396558804 348230969 /nfs/dbraw/zinc/23/09/69/348230969.db2.gz RTTXTGVJMCBYBS-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000396558804 348230971 /nfs/dbraw/zinc/23/09/71/348230971.db2.gz RTTXTGVJMCBYBS-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H](CC)OC)[C@@H](C)CC ZINC000419251079 192114870 /nfs/dbraw/zinc/11/48/70/192114870.db2.gz QZRMFCFNBFIXIN-SDDRHHMPSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1nncn1C(C)C)OC ZINC000419297611 192119128 /nfs/dbraw/zinc/11/91/28/192119128.db2.gz ZKGYFFMCYGRAAU-LLVKDONJSA-N 1 2 240.351 1.716 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1nncn1C(C)C)OC ZINC000419297611 192119129 /nfs/dbraw/zinc/11/91/29/192119129.db2.gz ZKGYFFMCYGRAAU-LLVKDONJSA-N 1 2 240.351 1.716 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCC1CCCC1 ZINC000595526296 348271162 /nfs/dbraw/zinc/27/11/62/348271162.db2.gz JPXRNJFFPAXGNO-LBPRGKRZSA-N 1 2 229.320 1.080 20 0 BDADLO CCCC[C@H](CC)C[NH2+][C@@](C)(CO)C(=O)OC ZINC000595531556 348273978 /nfs/dbraw/zinc/27/39/78/348273978.db2.gz IMDQCGAPBGUCHC-AAEUAGOBSA-N 1 2 245.363 1.716 20 0 BDADLO Cc1cccnc1[C@@H]([NH2+]Cc1cnn[nH]1)C(C)C ZINC000283941333 179397472 /nfs/dbraw/zinc/39/74/72/179397472.db2.gz KXBZNAUWPOFRSJ-LBPRGKRZSA-N 1 2 245.330 1.995 20 0 BDADLO CC[C@@H](CNc1[nH+]cccc1OC)OC ZINC000309009781 323184210 /nfs/dbraw/zinc/18/42/10/323184210.db2.gz WISXUNQZDUYRRY-VIFPVBQESA-N 1 2 210.277 1.927 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](OC)C1CC1 ZINC000595771712 348336812 /nfs/dbraw/zinc/33/68/12/348336812.db2.gz DPIOEOHLDMXXBT-ZYHUDNBSSA-N 1 2 247.310 1.292 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC[C@@H]1CCCO1 ZINC000595775071 348337901 /nfs/dbraw/zinc/33/79/01/348337901.db2.gz LNTJCIDPGRQHQL-CMPLNLGQSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCOCC1CC1 ZINC000595775604 348338241 /nfs/dbraw/zinc/33/82/41/348338241.db2.gz MOKVTYBCWVJSGK-LBPRGKRZSA-N 1 2 247.310 1.294 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CC1CC1 ZINC000595777504 348338642 /nfs/dbraw/zinc/33/86/42/348338642.db2.gz WPGPSBYJQMJEEP-SNVBAGLBSA-N 1 2 203.257 1.277 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccccc1 ZINC000082681532 348339282 /nfs/dbraw/zinc/33/92/82/348339282.db2.gz WBUNVTYNFXMQJP-UHFFFAOYSA-N 1 2 215.256 1.682 20 0 BDADLO C[N@H+](CC(=O)N1CCC1)Cc1ccsc1 ZINC000642187471 362902345 /nfs/dbraw/zinc/90/23/45/362902345.db2.gz AHWSZZMJYOPDGM-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO C[N@@H+](CC(=O)N1CCC1)Cc1ccsc1 ZINC000642187471 362902350 /nfs/dbraw/zinc/90/23/50/362902350.db2.gz AHWSZZMJYOPDGM-UHFFFAOYSA-N 1 2 224.329 1.412 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CC1=CCSC1 ZINC000595887503 348389454 /nfs/dbraw/zinc/38/94/54/348389454.db2.gz CWSIBRBJFJDQOP-QMMMGPOBSA-N 1 2 215.318 1.153 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CC1=CCSC1 ZINC000595887503 348389457 /nfs/dbraw/zinc/38/94/57/348389457.db2.gz CWSIBRBJFJDQOP-QMMMGPOBSA-N 1 2 215.318 1.153 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CC1 ZINC000596045983 348428785 /nfs/dbraw/zinc/42/87/85/348428785.db2.gz NCYLDOWHGFCCHQ-BDAKNGLRSA-N 1 2 247.285 1.819 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cnc(C)o2)o1 ZINC000628300669 348461027 /nfs/dbraw/zinc/46/10/27/348461027.db2.gz QRVHCEPWFZSYJW-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCC=C(C)C2)c1 ZINC000596225661 348471388 /nfs/dbraw/zinc/47/13/88/348471388.db2.gz MWOQVUSGNGQASX-UHFFFAOYSA-N 1 2 246.310 1.954 20 0 BDADLO Cc1cc(NC(=O)N(C)C2CC2)c(C)c[nH+]1 ZINC000535772488 323190805 /nfs/dbraw/zinc/19/08/05/323190805.db2.gz JFGJKELGOKQHQO-UHFFFAOYSA-N 1 2 219.288 1.746 20 0 BDADLO CNC(=O)[C@@H](Nc1cccc[nH+]1)C(C)C ZINC000205502586 348535073 /nfs/dbraw/zinc/53/50/73/348535073.db2.gz ODNHKDZIDOCCOW-JTQLQIEISA-N 1 2 207.277 1.264 20 0 BDADLO C[C@@H](O)CCSCCn1cc[nH+]c1 ZINC000596406207 348535629 /nfs/dbraw/zinc/53/56/29/348535629.db2.gz DXWNKECODNMCDS-SECBINFHSA-N 1 2 200.307 1.387 20 0 BDADLO CCSC1(CNc2cc[nH+]c(C)n2)CC1 ZINC000596511736 348573582 /nfs/dbraw/zinc/57/35/82/348573582.db2.gz UAMJRLZZSQMNNA-UHFFFAOYSA-N 1 2 223.345 1.905 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000597114273 348662290 /nfs/dbraw/zinc/66/22/90/348662290.db2.gz DTCOGSKWAQXFJH-ZETCQYMHSA-N 1 2 221.247 1.225 20 0 BDADLO CCCSCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597861802 348829312 /nfs/dbraw/zinc/82/93/12/348829312.db2.gz DPNRUGDOHAAACG-UHFFFAOYSA-N 1 2 227.333 1.511 20 0 BDADLO CCCSCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597861802 348829317 /nfs/dbraw/zinc/82/93/17/348829317.db2.gz DPNRUGDOHAAACG-UHFFFAOYSA-N 1 2 227.333 1.511 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C(C)(F)F ZINC000293297704 179705815 /nfs/dbraw/zinc/70/58/15/179705815.db2.gz GKEDPSCVELVQTM-UHFFFAOYSA-N 1 2 200.188 1.984 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1cn(C)nn1 ZINC000661746170 490213479 /nfs/dbraw/zinc/21/34/79/490213479.db2.gz WTSUAFLMUUTAEY-LBPRGKRZSA-N 1 2 240.351 1.044 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1cn(C)nn1 ZINC000661746170 490213489 /nfs/dbraw/zinc/21/34/89/490213489.db2.gz WTSUAFLMUUTAEY-LBPRGKRZSA-N 1 2 240.351 1.044 20 0 BDADLO CS[C@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465299 348978113 /nfs/dbraw/zinc/97/81/13/348978113.db2.gz PKZAZPLWEBJODH-BDAKNGLRSA-N 1 2 241.360 1.739 20 0 BDADLO CC[C@H](SC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464969 348978211 /nfs/dbraw/zinc/97/82/11/348978211.db2.gz MNEGKTOXQXEJMQ-BDAKNGLRSA-N 1 2 241.360 1.739 20 0 BDADLO COc1ccccc1C[N@H+](C)CC(=O)N(C)C ZINC000042976946 348981966 /nfs/dbraw/zinc/98/19/66/348981966.db2.gz NQVQWDBGZVAKMH-UHFFFAOYSA-N 1 2 236.315 1.215 20 0 BDADLO COc1ccccc1C[N@@H+](C)CC(=O)N(C)C ZINC000042976946 348981970 /nfs/dbraw/zinc/98/19/70/348981970.db2.gz NQVQWDBGZVAKMH-UHFFFAOYSA-N 1 2 236.315 1.215 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]1F ZINC000575778048 490217252 /nfs/dbraw/zinc/21/72/52/490217252.db2.gz JSYVAWACOVFDKD-ZJUUUORDSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1F ZINC000575778048 490217259 /nfs/dbraw/zinc/21/72/59/490217259.db2.gz JSYVAWACOVFDKD-ZJUUUORDSA-N 1 2 225.267 1.349 20 0 BDADLO CC[NH+](CC)Cc1nnnn1Cc1ccccc1 ZINC000001684588 538023017 /nfs/dbraw/zinc/02/30/17/538023017.db2.gz WCGIIKWKSGGUIV-UHFFFAOYSA-N 1 2 245.330 1.563 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H](C)CCOC)C(=O)OCC ZINC000432920016 192382161 /nfs/dbraw/zinc/38/21/61/192382161.db2.gz YETGJMKCZLCKAJ-YILIYONBSA-N 1 2 243.347 1.899 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H]1CCCC[C@H]1O ZINC000245564485 349082807 /nfs/dbraw/zinc/08/28/07/349082807.db2.gz YYHVKAVESNBAKV-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H]1CCCC[C@H]1O ZINC000245564485 349082810 /nfs/dbraw/zinc/08/28/10/349082810.db2.gz YYHVKAVESNBAKV-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000309046743 323205411 /nfs/dbraw/zinc/20/54/11/323205411.db2.gz PBIIQJGMPVMUCQ-DVVUODLYSA-N 1 2 210.277 1.811 20 0 BDADLO CCO[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000309046744 323205532 /nfs/dbraw/zinc/20/55/32/323205532.db2.gz PBIIQJGMPVMUCQ-FBIMIBRVSA-N 1 2 210.277 1.811 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000421767402 192381064 /nfs/dbraw/zinc/38/10/64/192381064.db2.gz KTNLHOOHZOSVRM-UHFFFAOYSA-N 1 2 232.287 1.620 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(=O)CC1 ZINC000201580602 349098079 /nfs/dbraw/zinc/09/80/79/349098079.db2.gz HDQCMLZXFIQNSL-UHFFFAOYSA-N 1 2 205.261 1.263 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000421776755 192384983 /nfs/dbraw/zinc/38/49/83/192384983.db2.gz VJKNUYSPWKINEA-UHFFFAOYSA-N 1 2 232.287 1.620 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000421776755 192384986 /nfs/dbraw/zinc/38/49/86/192384986.db2.gz VJKNUYSPWKINEA-UHFFFAOYSA-N 1 2 232.287 1.620 20 0 BDADLO CCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000252769927 349213784 /nfs/dbraw/zinc/21/37/84/349213784.db2.gz KTKSDJMRONUUMO-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO CCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000252769927 349213787 /nfs/dbraw/zinc/21/37/87/349213787.db2.gz KTKSDJMRONUUMO-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO COC(=O)[C@@]1([NH2+]C[C@@H](C)O)CCCC(C)(C)C1 ZINC000599557133 349216989 /nfs/dbraw/zinc/21/69/89/349216989.db2.gz YCWUQPZJHCWSKT-ZWNOBZJWSA-N 1 2 243.347 1.469 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cc(Cl)c[nH]1 ZINC000041979607 323215938 /nfs/dbraw/zinc/21/59/38/323215938.db2.gz BYYFNGIZHGECLL-UHFFFAOYSA-N 1 2 238.678 1.295 20 0 BDADLO CC(C)[C@@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599649585 349233473 /nfs/dbraw/zinc/23/34/73/349233473.db2.gz BVTIZYOUQCLTFJ-JTQLQIEISA-N 1 2 245.363 1.713 20 0 BDADLO COCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599650704 349234338 /nfs/dbraw/zinc/23/43/38/349234338.db2.gz WATCWEWFIMVOJK-UHFFFAOYSA-N 1 2 217.309 1.343 20 0 BDADLO C[C@@H](O)CCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599651142 349234559 /nfs/dbraw/zinc/23/45/59/349234559.db2.gz DHUNPEQGAKJOTL-SNVBAGLBSA-N 1 2 245.363 1.857 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646448 349240489 /nfs/dbraw/zinc/24/04/89/349240489.db2.gz KDSKFTPRYYWJBF-LBPRGKRZSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646448 349240493 /nfs/dbraw/zinc/24/04/93/349240493.db2.gz KDSKFTPRYYWJBF-LBPRGKRZSA-N 1 2 249.310 1.702 20 0 BDADLO OCCCc1cn(-c2ncnc3[nH]ccc32)c[nH+]1 ZINC000599914011 349270061 /nfs/dbraw/zinc/27/00/61/349270061.db2.gz FUKZMYZPKIQLAA-UHFFFAOYSA-N 1 2 243.270 1.069 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCSC ZINC000309031086 349317387 /nfs/dbraw/zinc/31/73/87/349317387.db2.gz DUHYTEOEXOABLB-SNVBAGLBSA-N 1 2 233.377 1.917 20 0 BDADLO Cc1nc(N(C)Cc2cnccn2)c(C)c(C)[nH+]1 ZINC000301701614 179905417 /nfs/dbraw/zinc/90/54/17/179905417.db2.gz SWYZPJOCOYRXRB-UHFFFAOYSA-N 1 2 243.314 1.828 20 0 BDADLO COC(=O)c1ccc(C[NH2+]CC(C)(F)F)n1C ZINC000602026480 349420870 /nfs/dbraw/zinc/42/08/70/349420870.db2.gz WSCHLNRLRXMJEN-UHFFFAOYSA-N 1 2 246.257 1.557 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)c(C)[nH]1 ZINC000603869929 350046617 /nfs/dbraw/zinc/04/66/17/350046617.db2.gz SYKCEDCVHKCNSR-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603916526 350055981 /nfs/dbraw/zinc/05/59/81/350055981.db2.gz OEPCXMFOVBCDHU-JTQLQIEISA-N 1 2 221.304 1.559 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H]2C)[nH+]1 ZINC000309810769 180024215 /nfs/dbraw/zinc/02/42/15/180024215.db2.gz UBSKRAITCLKPQL-VXNVDRBHSA-N 1 2 221.308 1.456 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000309810769 180024216 /nfs/dbraw/zinc/02/42/16/180024216.db2.gz UBSKRAITCLKPQL-VXNVDRBHSA-N 1 2 221.308 1.456 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC3(CCO3)CC2)no1 ZINC000368055156 180034899 /nfs/dbraw/zinc/03/48/99/180034899.db2.gz HIKUWYXGYJSKCK-SECBINFHSA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCCO[C@H](C)C2)no1 ZINC000329807251 180035615 /nfs/dbraw/zinc/03/56/15/180035615.db2.gz BIYFIUQEWSAEJI-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCCO[C@H](C)C2)no1 ZINC000329807251 180035619 /nfs/dbraw/zinc/03/56/19/180035619.db2.gz BIYFIUQEWSAEJI-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345727815 133787783 /nfs/dbraw/zinc/78/77/83/133787783.db2.gz VFFCGJHFKZHAPE-IUCAKERBSA-N 1 2 234.290 1.534 20 0 BDADLO Cc1nc([C@H](C)NCC[NH+]2CCC2)cs1 ZINC000309121475 180049380 /nfs/dbraw/zinc/04/93/80/180049380.db2.gz NZUJXXZXMBXVRK-VIFPVBQESA-N 1 2 225.361 1.808 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)no1 ZINC000329782346 180050620 /nfs/dbraw/zinc/05/06/20/180050620.db2.gz NVBPWAMVSVWYJN-ACLDMZEESA-N 1 2 238.291 1.536 20 0 BDADLO Cc1nc([C@H]2C[N@H+](Cc3cc[nH]c3)CCO2)no1 ZINC000370660871 180056651 /nfs/dbraw/zinc/05/66/51/180056651.db2.gz YSDDSDDJNUCNMT-LLVKDONJSA-N 1 2 248.286 1.280 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](Cc3cc[nH]c3)CCO2)no1 ZINC000370660871 180056654 /nfs/dbraw/zinc/05/66/54/180056654.db2.gz YSDDSDDJNUCNMT-LLVKDONJSA-N 1 2 248.286 1.280 20 0 BDADLO Cc1nn(C)c(C)c1CNc1c[nH]c[nH+]1 ZINC000309173713 350121154 /nfs/dbraw/zinc/12/11/54/350121154.db2.gz MAVNEFLAIZAPBN-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C[C@@H](C)O)[nH+]1 ZINC000340792814 180060392 /nfs/dbraw/zinc/06/03/92/180060392.db2.gz ZBUFDYDBWJTEGT-JGVFFNPUSA-N 1 2 234.303 1.260 20 0 BDADLO Cc1nc(N2CC[C@@](C)(O)C2)c2c([nH+]1)CCCC2 ZINC000272920687 180068604 /nfs/dbraw/zinc/06/86/04/180068604.db2.gz SWXNPEKAYKGBBN-CQSZACIVSA-N 1 2 247.342 1.625 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNc1ccn(C)n1 ZINC000037560624 180106670 /nfs/dbraw/zinc/10/66/70/180106670.db2.gz VBIUJQMIPKJMKM-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(C[C@H]1CC[C@H](C)O1)C2 ZINC000364331602 180108598 /nfs/dbraw/zinc/10/85/98/180108598.db2.gz KZCSDIFJDBOHQJ-GXFFZTMASA-N 1 2 249.358 1.883 20 0 BDADLO Cc1nc(NCC[C@@H](C)[S@@](C)=O)cc[nH+]1 ZINC000133126981 191037913 /nfs/dbraw/zinc/03/79/13/191037913.db2.gz RGEREZWMKWIIIT-GLEZIHRCSA-N 1 2 227.333 1.354 20 0 BDADLO Cn1ncnc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000427013409 191049578 /nfs/dbraw/zinc/04/95/78/191049578.db2.gz CHEDKCKSCOPVRP-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccccc2F)c[nH+]1 ZINC000336952985 180129624 /nfs/dbraw/zinc/12/96/24/180129624.db2.gz SBGIOULQKHNSIE-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2cccc(F)c2)c[nH+]1 ZINC000336934845 180130216 /nfs/dbraw/zinc/13/02/16/180130216.db2.gz SKCUNOICFUFMNH-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccc(O)cc2)c[nH+]1 ZINC000336320501 180132082 /nfs/dbraw/zinc/13/20/82/180132082.db2.gz KKMHXRZGQUQPRF-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC(C)(C)O2)c[nH+]1 ZINC000336209628 180132209 /nfs/dbraw/zinc/13/22/09/180132209.db2.gz QNFATYBRTVICLL-SECBINFHSA-N 1 2 237.303 1.406 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000336419962 180132762 /nfs/dbraw/zinc/13/27/62/180132762.db2.gz BSURRWFAQVOHBZ-SCZZXKLOSA-N 1 2 221.304 1.884 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCOC2(C)C)c[nH+]1 ZINC000334917860 180133894 /nfs/dbraw/zinc/13/38/94/180133894.db2.gz JPLAVHLRTQYUEX-VIFPVBQESA-N 1 2 223.276 1.015 20 0 BDADLO Cc1nc(C(=O)Nc2ccc[nH+]c2N(C)C)c[nH]1 ZINC000339291959 180135787 /nfs/dbraw/zinc/13/57/87/180135787.db2.gz XUHAYBHBKRDGFZ-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C)C2)s1 ZINC000299151411 180142652 /nfs/dbraw/zinc/14/26/52/180142652.db2.gz ZAADUNKQPAUMDL-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C)C2)s1 ZINC000299151411 180142654 /nfs/dbraw/zinc/14/26/54/180142654.db2.gz ZAADUNKQPAUMDL-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)F ZINC000356703309 180119170 /nfs/dbraw/zinc/11/91/70/180119170.db2.gz IXEVJYVXGVNLFI-SSDOTTSWSA-N 1 2 213.256 1.125 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC[C@@H](C)F ZINC000356703309 180119173 /nfs/dbraw/zinc/11/91/73/180119173.db2.gz IXEVJYVXGVNLFI-SSDOTTSWSA-N 1 2 213.256 1.125 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1C[C@H]1C ZINC000354925294 180120669 /nfs/dbraw/zinc/12/06/69/180120669.db2.gz SXITUSHVJBMLNP-VXNVDRBHSA-N 1 2 207.277 1.380 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000336222727 180146761 /nfs/dbraw/zinc/14/67/61/180146761.db2.gz FVPWFAORUNZAIY-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000336222727 180146762 /nfs/dbraw/zinc/14/67/62/180146762.db2.gz FVPWFAORUNZAIY-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cn1 ZINC000352411913 180146785 /nfs/dbraw/zinc/14/67/85/180146785.db2.gz AELJKZLEJMLESE-GARJFASQSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cn1 ZINC000352411913 180146786 /nfs/dbraw/zinc/14/67/86/180146786.db2.gz AELJKZLEJMLESE-GARJFASQSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000338271409 180146810 /nfs/dbraw/zinc/14/68/10/180146810.db2.gz LTKZFSLOGVALAK-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000338271409 180146811 /nfs/dbraw/zinc/14/68/11/180146811.db2.gz LTKZFSLOGVALAK-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[NH2+][C@H](C)c2ccon2)n1 ZINC000309731124 180190739 /nfs/dbraw/zinc/19/07/39/180190739.db2.gz BDXCVPJYJQRLCW-MRVPVSSYSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1nc(NCC[C@H]2CCCO2)cc[nH+]1 ZINC000054936052 180199967 /nfs/dbraw/zinc/19/99/67/180199967.db2.gz SGDGYXCEQNFQEL-SNVBAGLBSA-N 1 2 207.277 1.766 20 0 BDADLO Cc1nc(NCCc2ccc[nH]2)cc[nH+]1 ZINC000272322439 180200850 /nfs/dbraw/zinc/20/08/50/180200850.db2.gz UFUFHBKCNNBNPO-UHFFFAOYSA-N 1 2 202.261 1.768 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@@H](O)C2)cc[nH+]1 ZINC000235972547 180200893 /nfs/dbraw/zinc/20/08/93/180200893.db2.gz LVMHQRYAULBBAJ-VHSXEESVSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(NCCc2cnn(C)c2)cc[nH+]1 ZINC000085485863 180201172 /nfs/dbraw/zinc/20/11/72/180201172.db2.gz YILRFHRMEDXTEM-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO Cc1nc(N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc[nH+]1 ZINC000376487406 180202704 /nfs/dbraw/zinc/20/27/04/180202704.db2.gz WCRXQYTUQWSVAT-ZWNOBZJWSA-N 1 2 246.314 1.254 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000054936520 180202728 /nfs/dbraw/zinc/20/27/28/180202728.db2.gz OTUKWWUHINIJEZ-ZJUUUORDSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc[nH+]1 ZINC000080674701 180202787 /nfs/dbraw/zinc/20/27/87/180202787.db2.gz WTCNXGLPLHMTQE-SNVBAGLBSA-N 1 2 248.330 1.596 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N(C(C)C)C2)cc[nH+]1 ZINC000266168980 180203114 /nfs/dbraw/zinc/20/31/14/180203114.db2.gz YNYKUOHEJVAFLI-SNVBAGLBSA-N 1 2 234.303 1.206 20 0 BDADLO Cc1nc(N[C@H](C)Cn2cccn2)cc[nH+]1 ZINC000054936148 180204562 /nfs/dbraw/zinc/20/45/62/180204562.db2.gz XMIHQROTLQFBTQ-SECBINFHSA-N 1 2 217.276 1.482 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cccnc2)[nH]1 ZINC000428301586 191079088 /nfs/dbraw/zinc/07/90/88/191079088.db2.gz BASOFPJWRPFBEI-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cccnc2)[nH]1 ZINC000428301586 191079091 /nfs/dbraw/zinc/07/90/91/191079091.db2.gz BASOFPJWRPFBEI-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)n1 ZINC000353521602 180183293 /nfs/dbraw/zinc/18/32/93/180183293.db2.gz QLTDAILHCVFVKY-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO Cc1nccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)n1 ZINC000353521602 180183294 /nfs/dbraw/zinc/18/32/94/180183294.db2.gz QLTDAILHCVFVKY-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC000639121829 538079966 /nfs/dbraw/zinc/07/99/66/538079966.db2.gz BQWKUXZTTMDZNE-GFCCVEGCSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC000639121829 538079967 /nfs/dbraw/zinc/07/99/67/538079967.db2.gz BQWKUXZTTMDZNE-GFCCVEGCSA-N 1 2 249.358 1.904 20 0 BDADLO CC/C=C/CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637191559 350250855 /nfs/dbraw/zinc/25/08/55/350250855.db2.gz SFVXNAXZLDZOLJ-HMDXOVGESA-N 1 2 234.303 1.073 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C(F)F ZINC000343412036 538078303 /nfs/dbraw/zinc/07/83/03/538078303.db2.gz PENJZERAWDCAGU-SECBINFHSA-N 1 2 243.257 1.598 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C(F)F ZINC000343412036 538078308 /nfs/dbraw/zinc/07/83/08/538078308.db2.gz PENJZERAWDCAGU-SECBINFHSA-N 1 2 243.257 1.598 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637215232 350280516 /nfs/dbraw/zinc/28/05/16/350280516.db2.gz BSCMAFPFKCAXGD-ZMLRMANQSA-N 1 2 248.330 1.152 20 0 BDADLO CC(=O)NC1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000309344818 350326766 /nfs/dbraw/zinc/32/67/66/350326766.db2.gz LLCHCWFWKQXTCY-UHFFFAOYSA-N 1 2 222.292 1.269 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C(C)C)CC2 ZINC000623830921 350312783 /nfs/dbraw/zinc/31/27/83/350312783.db2.gz IQXHXPHYMCQIJD-NSHDSACASA-N 1 2 235.331 1.621 20 0 BDADLO COc1ccncc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000606360176 350317673 /nfs/dbraw/zinc/31/76/73/350317673.db2.gz ZHIWDRMEXXENEB-NSHDSACASA-N 1 2 249.314 1.513 20 0 BDADLO COc1ccncc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000606360176 350317674 /nfs/dbraw/zinc/31/76/74/350317674.db2.gz ZHIWDRMEXXENEB-NSHDSACASA-N 1 2 249.314 1.513 20 0 BDADLO CN(C(=O)[C@@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000606369010 350320268 /nfs/dbraw/zinc/32/02/68/350320268.db2.gz RDHPPEJKCIMIAA-VIFPVBQESA-N 1 2 239.344 1.590 20 0 BDADLO CN(C(=O)[C@@H]1CCCC[N@H+]1C)c1nccs1 ZINC000606369010 350320271 /nfs/dbraw/zinc/32/02/71/350320271.db2.gz RDHPPEJKCIMIAA-VIFPVBQESA-N 1 2 239.344 1.590 20 0 BDADLO CCc1noc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000606451940 350340348 /nfs/dbraw/zinc/34/03/48/350340348.db2.gz UPSCZHWTXFTMRZ-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1noc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000606451940 350340349 /nfs/dbraw/zinc/34/03/49/350340349.db2.gz UPSCZHWTXFTMRZ-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO O=C(Nc1nccs1)N1CCn2cc[nH+]c2C1 ZINC000606473817 350342313 /nfs/dbraw/zinc/34/23/13/350342313.db2.gz XRLCXIDICPYJCD-UHFFFAOYSA-N 1 2 249.299 1.387 20 0 BDADLO CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000039075636 350330301 /nfs/dbraw/zinc/33/03/01/350330301.db2.gz WYTODJIURBTMAX-UHFFFAOYSA-N 1 2 208.261 1.325 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@]12C[C@@H]1CCC2 ZINC000617213638 350383407 /nfs/dbraw/zinc/38/34/07/350383407.db2.gz JYWDKRZFYLOLQX-CABZTGNLSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@]12C[C@@H]1CCC2 ZINC000617213638 350383410 /nfs/dbraw/zinc/38/34/10/350383410.db2.gz JYWDKRZFYLOLQX-CABZTGNLSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@H](CC(=O)N[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC000617219024 350389723 /nfs/dbraw/zinc/38/97/23/350389723.db2.gz SZDXWQRLVHMEQF-NQBHXWOUSA-N 1 2 233.315 1.893 20 0 BDADLO O=C(CC(F)(F)F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427990265 191104114 /nfs/dbraw/zinc/10/41/14/191104114.db2.gz HRADGHJTWQKXSY-ZETCQYMHSA-N 1 2 247.220 1.267 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH2+]CCF ZINC000280645457 180350976 /nfs/dbraw/zinc/35/09/76/180350976.db2.gz JBGOMHOEXBJHPV-UHFFFAOYSA-N 1 2 205.664 1.441 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1cnccn1 ZINC000092590804 180372664 /nfs/dbraw/zinc/37/26/64/180372664.db2.gz GSIQPVWVEDSGAD-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1cnccn1 ZINC000092590804 180372666 /nfs/dbraw/zinc/37/26/66/180372666.db2.gz GSIQPVWVEDSGAD-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427988044 191104634 /nfs/dbraw/zinc/10/46/34/191104634.db2.gz BVZQSAYZLRNJNB-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(NCC1CC=CC1)N1CCn2c[nH+]cc2C1 ZINC000637362707 350486441 /nfs/dbraw/zinc/48/64/41/350486441.db2.gz BESNTTMBWGPXJT-UHFFFAOYSA-N 1 2 246.314 1.375 20 0 BDADLO CCc1nc(C[N@H+](CC)CC2CC2)no1 ZINC000070012905 350493033 /nfs/dbraw/zinc/49/30/33/350493033.db2.gz GGZHODRTRIXAMJ-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@@H+](CC)CC2CC2)no1 ZINC000070012905 350493035 /nfs/dbraw/zinc/49/30/35/350493035.db2.gz GGZHODRTRIXAMJ-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000422787044 192468511 /nfs/dbraw/zinc/46/85/11/192468511.db2.gz LOZNSJWVNYUVDX-SOCHQFKDSA-N 1 2 235.287 1.246 20 0 BDADLO CCCC[C@@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000336646383 350559560 /nfs/dbraw/zinc/55/95/60/350559560.db2.gz DSUYQNIDCZBPAD-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000228857639 350560284 /nfs/dbraw/zinc/56/02/84/350560284.db2.gz GBZAYRQXIHZRSI-IVZWLZJFSA-N 1 2 229.320 1.077 20 0 BDADLO CCN1CC[N@H+](CCOCC(C)C)[C@@H](C)C1=O ZINC000337408299 350583684 /nfs/dbraw/zinc/58/36/84/350583684.db2.gz KKHPWZFCRXVCGK-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCN1CC[N@@H+](CCOCC(C)C)[C@@H](C)C1=O ZINC000337408299 350583688 /nfs/dbraw/zinc/58/36/88/350583688.db2.gz KKHPWZFCRXVCGK-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCCC[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000337449620 350586347 /nfs/dbraw/zinc/58/63/47/350586347.db2.gz HGYJWLSBQIKKHD-SECBINFHSA-N 1 2 222.288 1.974 20 0 BDADLO CCOC1(C)CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000628307306 350597704 /nfs/dbraw/zinc/59/77/04/350597704.db2.gz AXARNAGKMUHOQY-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CCc1ocnc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000606845953 350617300 /nfs/dbraw/zinc/61/73/00/350617300.db2.gz VSWBYFIXOAFFKT-UHFFFAOYSA-N 1 2 246.270 1.131 20 0 BDADLO C/C=C\CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000637485070 350640826 /nfs/dbraw/zinc/64/08/26/350640826.db2.gz ISEZKKRZEQSNOC-PLNGDYQASA-N 1 2 222.292 1.138 20 0 BDADLO FC(F)(F)[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000606899829 350626116 /nfs/dbraw/zinc/62/61/16/350626116.db2.gz JZSZBDGBIPNABG-SSDOTTSWSA-N 1 2 235.209 1.173 20 0 BDADLO O[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC12CC2 ZINC000563327576 350819822 /nfs/dbraw/zinc/81/98/22/350819822.db2.gz VWEVTHUPRSZZIU-SNVBAGLBSA-N 1 2 246.314 1.012 20 0 BDADLO O[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC12CC2 ZINC000563327576 350819825 /nfs/dbraw/zinc/81/98/25/350819825.db2.gz VWEVTHUPRSZZIU-SNVBAGLBSA-N 1 2 246.314 1.012 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)CO ZINC000339627568 350769247 /nfs/dbraw/zinc/76/92/47/350769247.db2.gz JYVAVPHDIJLJPJ-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)CO ZINC000339627568 350769250 /nfs/dbraw/zinc/76/92/50/350769250.db2.gz JYVAVPHDIJLJPJ-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](CF)C2)[nH+]c1C ZINC000628310071 350787396 /nfs/dbraw/zinc/78/73/96/350787396.db2.gz LRZWNHGQNPZQCE-SNVBAGLBSA-N 1 2 227.283 1.197 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C3CCC3)C2)[nH+]1 ZINC000628310356 350789318 /nfs/dbraw/zinc/78/93/18/350789318.db2.gz ZSXLBIZLBOUVLH-GFCCVEGCSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000398014867 362986144 /nfs/dbraw/zinc/98/61/44/362986144.db2.gz OCWRZLCGWFURKT-UHFFFAOYSA-N 1 2 235.291 1.445 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@H]1CCOC1=O ZINC000102514647 180541521 /nfs/dbraw/zinc/54/15/21/180541521.db2.gz SPPIIQXHJKNQPC-JTQLQIEISA-N 1 2 209.245 1.335 20 0 BDADLO Cc1occc1C[N@H+](C)[C@H]1CCOC1=O ZINC000102514647 180541523 /nfs/dbraw/zinc/54/15/23/180541523.db2.gz SPPIIQXHJKNQPC-JTQLQIEISA-N 1 2 209.245 1.335 20 0 BDADLO COCc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398282540 351019161 /nfs/dbraw/zinc/01/91/61/351019161.db2.gz HNTIZCLACUFOMC-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO COCc1cccc(C[NH2+]Cc2c[nH]nn2)c1 ZINC000398282540 351019164 /nfs/dbraw/zinc/01/91/64/351019164.db2.gz HNTIZCLACUFOMC-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO COCc1cccc(C[NH2+]Cc2cn[nH]n2)c1 ZINC000398282540 351019169 /nfs/dbraw/zinc/01/91/69/351019169.db2.gz HNTIZCLACUFOMC-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO Cc1ccc(F)cc1C[NH2+]Cc1cnn[nH]1 ZINC000398304341 351026133 /nfs/dbraw/zinc/02/61/33/351026133.db2.gz OJEMANKALCUFPX-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cn1cnnc1C1CC[NH+](Cc2ccon2)CC1 ZINC000607151151 351029451 /nfs/dbraw/zinc/02/94/51/351029451.db2.gz MGZNJNFINZWWAU-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)C[C@H]1C ZINC000398330432 351037003 /nfs/dbraw/zinc/03/70/03/351037003.db2.gz QMWSSHVTILYAOJ-BBBLOLIVSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)C[C@H]1C ZINC000398330432 351037005 /nfs/dbraw/zinc/03/70/05/351037005.db2.gz QMWSSHVTILYAOJ-BBBLOLIVSA-N 1 2 208.309 1.719 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000336314161 180554002 /nfs/dbraw/zinc/55/40/02/180554002.db2.gz JMLAHRTYYZIJGY-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000336314161 180554004 /nfs/dbraw/zinc/55/40/04/180554004.db2.gz JMLAHRTYYZIJGY-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO COc1ccncc1C[NH2+]Cc1cnc(C)o1 ZINC000398079795 362999723 /nfs/dbraw/zinc/99/97/23/362999723.db2.gz RGZITCCDMQTACM-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1cc(C)cc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398362617 351123141 /nfs/dbraw/zinc/12/31/41/351123141.db2.gz YIBKAPKXQNFGOS-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cc(C)cc(C[NH2+]Cc2c[nH]nn2)c1 ZINC000398362617 351123142 /nfs/dbraw/zinc/12/31/42/351123142.db2.gz YIBKAPKXQNFGOS-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cc(C)cc(C[NH2+]Cc2cn[nH]n2)c1 ZINC000398362617 351123144 /nfs/dbraw/zinc/12/31/44/351123144.db2.gz YIBKAPKXQNFGOS-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000571516160 351075688 /nfs/dbraw/zinc/07/56/88/351075688.db2.gz ISOZOSHJGZLKKS-ZDUSSCGKSA-N 1 2 237.347 1.749 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cnn[nH]2)c(C)c1 ZINC000623578596 363011082 /nfs/dbraw/zinc/01/10/82/363011082.db2.gz OVTVSJMIITUXLP-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2c[nH]nn2)c(C)c1 ZINC000623578596 363011086 /nfs/dbraw/zinc/01/10/86/363011086.db2.gz OVTVSJMIITUXLP-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cn[nH]n2)c(C)c1 ZINC000623578596 363011088 /nfs/dbraw/zinc/01/10/88/363011088.db2.gz OVTVSJMIITUXLP-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO COc1ccc(F)c(C[NH2+]Cc2cnn[nH]2)c1 ZINC000623578417 363011222 /nfs/dbraw/zinc/01/12/22/363011222.db2.gz HBBZFUKUCVHSMT-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)o2)[C@@H](C)CO1 ZINC000628324547 351237368 /nfs/dbraw/zinc/23/73/68/351237368.db2.gz YJECMYHFBYGACO-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)o2)[C@@H](C)CO1 ZINC000628324547 351237370 /nfs/dbraw/zinc/23/73/70/351237370.db2.gz YJECMYHFBYGACO-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1c[nH]c(CN2CC3(CC3(F)F)C2)[nH+]1 ZINC000628326895 351262099 /nfs/dbraw/zinc/26/20/99/351262099.db2.gz ZQOCMRBOOIVKLW-UHFFFAOYSA-N 1 2 213.231 1.559 20 0 BDADLO CC(=O)Nc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000036804399 358462714 /nfs/dbraw/zinc/46/27/14/358462714.db2.gz CVHOBUSKCRXZTG-UHFFFAOYSA-N 1 2 244.298 1.991 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]2C)nc(N)[nH+]1 ZINC000379923483 351288608 /nfs/dbraw/zinc/28/86/08/351288608.db2.gz SOROSKXVVKYMCY-POYBYMJQSA-N 1 2 207.281 1.193 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000379923483 351288610 /nfs/dbraw/zinc/28/86/10/351288610.db2.gz SOROSKXVVKYMCY-POYBYMJQSA-N 1 2 207.281 1.193 20 0 BDADLO CCC1(CC)CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000379973465 351303478 /nfs/dbraw/zinc/30/34/78/351303478.db2.gz NOLRYGPOHZELNB-UHFFFAOYSA-N 1 2 235.335 1.609 20 0 BDADLO CCC1(CC)CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000379973465 351303480 /nfs/dbraw/zinc/30/34/80/351303480.db2.gz NOLRYGPOHZELNB-UHFFFAOYSA-N 1 2 235.335 1.609 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](OC)C2)cs1 ZINC000267719555 351320295 /nfs/dbraw/zinc/32/02/95/351320295.db2.gz YGDQUTTYJDUAMN-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](OC)C2)cs1 ZINC000267719555 351320301 /nfs/dbraw/zinc/32/03/01/351320301.db2.gz YGDQUTTYJDUAMN-JTQLQIEISA-N 1 2 226.345 1.926 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000269880062 351368730 /nfs/dbraw/zinc/36/87/30/351368730.db2.gz YKNPDVYTAWWIKF-SNVBAGLBSA-N 1 2 233.315 1.656 20 0 BDADLO CCN1CC[NH+](Cc2sccc2OC)CC1 ZINC000270995863 351394606 /nfs/dbraw/zinc/39/46/06/351394606.db2.gz JHZHTYDLASNMRH-UHFFFAOYSA-N 1 2 240.372 1.894 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1[nH+]ccn1C ZINC000269457584 351356621 /nfs/dbraw/zinc/35/66/21/351356621.db2.gz FIQJNJWCOZDPPM-MRVPVSSYSA-N 1 2 227.333 1.178 20 0 BDADLO CC1(C)C[C@@H]1Nc1[nH+]cnc(-n2cccn2)c1N ZINC000269658474 351364636 /nfs/dbraw/zinc/36/46/36/351364636.db2.gz VUSCTOKUQMPDJB-QMMMGPOBSA-N 1 2 244.302 1.455 20 0 BDADLO Cc1cnc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cn1 ZINC000637676996 351521368 /nfs/dbraw/zinc/52/13/68/351521368.db2.gz BZCSWARDWZXJLW-SNVBAGLBSA-N 1 2 245.286 1.571 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(OC)cc2)CC1=O ZINC000273350841 351521589 /nfs/dbraw/zinc/52/15/89/351521589.db2.gz BBOSMGWDUBAAFQ-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(OC)cc2)CC1=O ZINC000273350841 351521591 /nfs/dbraw/zinc/52/15/91/351521591.db2.gz BBOSMGWDUBAAFQ-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO CCN1CC[N@H+](Cc2cnccc2C)CC1=O ZINC000273390551 351527361 /nfs/dbraw/zinc/52/73/61/351527361.db2.gz FCRVOWXONOVCTE-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCN1CC[N@@H+](Cc2cnccc2C)CC1=O ZINC000273390551 351527366 /nfs/dbraw/zinc/52/73/66/351527366.db2.gz FCRVOWXONOVCTE-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)s2)CC1=O ZINC000273519440 351534030 /nfs/dbraw/zinc/53/40/30/351534030.db2.gz SJMZSULJOYFPKU-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)s2)CC1=O ZINC000273519440 351534032 /nfs/dbraw/zinc/53/40/32/351534032.db2.gz SJMZSULJOYFPKU-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CC(C)SCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572127890 323545562 /nfs/dbraw/zinc/54/55/62/323545562.db2.gz YBUQNVSXDJPVAG-UHFFFAOYSA-N 1 2 241.360 1.903 20 0 BDADLO CC[N@H+](Cc1nc(Cc2ccon2)no1)C1CC1 ZINC000273783931 351545779 /nfs/dbraw/zinc/54/57/79/351545779.db2.gz GCIFEHLLFCBBFL-UHFFFAOYSA-N 1 2 248.286 1.633 20 0 BDADLO CC[N@@H+](Cc1nc(Cc2ccon2)no1)C1CC1 ZINC000273783931 351545783 /nfs/dbraw/zinc/54/57/83/351545783.db2.gz GCIFEHLLFCBBFL-UHFFFAOYSA-N 1 2 248.286 1.633 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CC[C@H](C)O2)n1 ZINC000571653066 351586971 /nfs/dbraw/zinc/58/69/71/351586971.db2.gz FMYUSJSEOIVCHJ-QXEWZRGKSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CC[C@H](C)O2)n1 ZINC000571653066 351586973 /nfs/dbraw/zinc/58/69/73/351586973.db2.gz FMYUSJSEOIVCHJ-QXEWZRGKSA-N 1 2 239.319 1.938 20 0 BDADLO CC(C)CNC(=O)COc1cc[nH+]cc1 ZINC000276477592 351624763 /nfs/dbraw/zinc/62/47/63/351624763.db2.gz REJJYKHILHCLBH-UHFFFAOYSA-N 1 2 208.261 1.233 20 0 BDADLO C[C@H]1C[N@@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637882895 351750405 /nfs/dbraw/zinc/75/04/05/351750405.db2.gz JDJJSYNDQZORBU-JQWIXIFHSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@H]1C[N@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637882895 351750407 /nfs/dbraw/zinc/75/04/07/351750407.db2.gz JDJJSYNDQZORBU-JQWIXIFHSA-N 1 2 235.331 1.592 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccns1 ZINC000637914701 351789325 /nfs/dbraw/zinc/78/93/25/351789325.db2.gz RINDVVXXWITENZ-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccns1 ZINC000637914701 351789329 /nfs/dbraw/zinc/78/93/29/351789329.db2.gz RINDVVXXWITENZ-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC(C)(C(=O)NC[C@@H]1C[C@H]1C1CC1)c1c[nH]c[nH+]1 ZINC000577822396 366071510 /nfs/dbraw/zinc/07/15/10/366071510.db2.gz PDXXECMIYMHKGW-QWRGUYRKSA-N 1 2 247.342 1.850 20 0 BDADLO C[C@@H]1C[N@H+]([C@H](c2nccn2C)C2CC2)[C@H](C)CO1 ZINC000637931116 351807654 /nfs/dbraw/zinc/80/76/54/351807654.db2.gz ZIZZNGFOVQTVGC-WZRBSPASSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H](c2nccn2C)C2CC2)[C@H](C)CO1 ZINC000637931116 351807656 /nfs/dbraw/zinc/80/76/56/351807656.db2.gz ZIZZNGFOVQTVGC-WZRBSPASSA-N 1 2 249.358 1.980 20 0 BDADLO CO[C@@](C)(C[N@H+](C)CC(F)F)C1CC1 ZINC000637973489 351848475 /nfs/dbraw/zinc/84/84/75/351848475.db2.gz JICYKSKYDFEZFA-JTQLQIEISA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@@](C)(C[N@@H+](C)CC(F)F)C1CC1 ZINC000637973489 351848478 /nfs/dbraw/zinc/84/84/78/351848478.db2.gz JICYKSKYDFEZFA-JTQLQIEISA-N 1 2 207.264 1.998 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[C@H]1C)CC2 ZINC000626991266 363097453 /nfs/dbraw/zinc/09/74/53/363097453.db2.gz CGFLEYFYDCDGTC-DVVUODLYSA-N 1 2 233.315 1.279 20 0 BDADLO CO[C@@]1(C[N@H+](CC(F)F)C2CC2)CCOC1 ZINC000638057407 351933590 /nfs/dbraw/zinc/93/35/90/351933590.db2.gz VKSPCWVAAWRLJD-LLVKDONJSA-N 1 2 235.274 1.521 20 0 BDADLO CO[C@@]1(C[N@@H+](CC(F)F)C2CC2)CCOC1 ZINC000638057407 351933592 /nfs/dbraw/zinc/93/35/92/351933592.db2.gz VKSPCWVAAWRLJD-LLVKDONJSA-N 1 2 235.274 1.521 20 0 BDADLO C[C@@H]1OCC[N@H+]([C@@H](c2nccn2C)C2CC2)[C@H]1C ZINC000638084422 351960446 /nfs/dbraw/zinc/96/04/46/351960446.db2.gz LKQHHGSLXXYGMW-GMXVVIOVSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1OCC[N@@H+]([C@@H](c2nccn2C)C2CC2)[C@H]1C ZINC000638084422 351960449 /nfs/dbraw/zinc/96/04/49/351960449.db2.gz LKQHHGSLXXYGMW-GMXVVIOVSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccns1 ZINC000638084792 351962991 /nfs/dbraw/zinc/96/29/91/351962991.db2.gz MUGDMOYAZQNPTN-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccns1 ZINC000638084792 351962995 /nfs/dbraw/zinc/96/29/95/351962995.db2.gz MUGDMOYAZQNPTN-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO CCc1nc(Nc2cn[nH]c2)cc(C)[nH+]1 ZINC000283459482 351971120 /nfs/dbraw/zinc/97/11/20/351971120.db2.gz FGPONECBCRAMEV-UHFFFAOYSA-N 1 2 203.249 1.814 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1ccon1)OC ZINC000638099654 351979617 /nfs/dbraw/zinc/97/96/17/351979617.db2.gz IJVQLGOMAAWNJI-NSHDSACASA-N 1 2 212.293 1.922 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1ccon1)OC ZINC000638099654 351979618 /nfs/dbraw/zinc/97/96/18/351979618.db2.gz IJVQLGOMAAWNJI-NSHDSACASA-N 1 2 212.293 1.922 20 0 BDADLO CCc1nc(N2CC[C@H](C)[C@H]2CO)cc(C)[nH+]1 ZINC000286693698 352100488 /nfs/dbraw/zinc/10/04/88/352100488.db2.gz NYSPGDRNGLZERU-GXSJLCMTSA-N 1 2 235.331 1.555 20 0 BDADLO CC1(C)C[N@H+](CC(N)=O)[C@H]1c1cccs1 ZINC000286957740 352108812 /nfs/dbraw/zinc/10/88/12/352108812.db2.gz NBYZJGYUAWYSQT-JTQLQIEISA-N 1 2 224.329 1.616 20 0 BDADLO CC1(C)C[N@@H+](CC(N)=O)[C@H]1c1cccs1 ZINC000286957740 352108814 /nfs/dbraw/zinc/10/88/14/352108814.db2.gz NBYZJGYUAWYSQT-JTQLQIEISA-N 1 2 224.329 1.616 20 0 BDADLO CC[N@@H+](Cc1cnn(C)n1)Cc1cccs1 ZINC000290063998 352208917 /nfs/dbraw/zinc/20/89/17/352208917.db2.gz SWSDAVHKLWEBEE-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@H+](Cc1cnn(C)n1)Cc1cccs1 ZINC000290063998 352208922 /nfs/dbraw/zinc/20/89/22/352208922.db2.gz SWSDAVHKLWEBEE-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)on1 ZINC000630074273 363158977 /nfs/dbraw/zinc/15/89/77/363158977.db2.gz HRCYNKWZOCSOQB-NSHDSACASA-N 1 2 237.347 1.945 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)[C@H]1C1CC1 ZINC000291440875 352276070 /nfs/dbraw/zinc/27/60/70/352276070.db2.gz KKWGPORBUXSGQN-LBPRGKRZSA-N 1 2 233.315 1.530 20 0 BDADLO CCCNC(=O)CCC[N@H+](C)CC(F)F ZINC000411218558 191172198 /nfs/dbraw/zinc/17/21/98/191172198.db2.gz BSEKXIOSTFQRIB-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CCCNC(=O)CCC[N@@H+](C)CC(F)F ZINC000411218558 191172200 /nfs/dbraw/zinc/17/22/00/191172200.db2.gz BSEKXIOSTFQRIB-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CCC[N@@H+](Cc1cnn[nH]1)C[C@@H]1CCCCO1 ZINC000411370210 191181997 /nfs/dbraw/zinc/18/19/97/191181997.db2.gz SPUBMOARILRDRH-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@H+](Cc1cnn[nH]1)C[C@@H]1CCCCO1 ZINC000411370210 191181999 /nfs/dbraw/zinc/18/19/99/191181999.db2.gz SPUBMOARILRDRH-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@@H+](Cc1c[nH]nn1)C[C@@H]1CCCCO1 ZINC000411370210 191182000 /nfs/dbraw/zinc/18/20/00/191182000.db2.gz SPUBMOARILRDRH-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@H+](Cc1c[nH]nn1)C[C@@H]1CCCCO1 ZINC000411370210 191182003 /nfs/dbraw/zinc/18/20/03/191182003.db2.gz SPUBMOARILRDRH-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@@H+](Cc1cn[nH]n1)C[C@@H]1CCCCO1 ZINC000411370210 191182005 /nfs/dbraw/zinc/18/20/05/191182005.db2.gz SPUBMOARILRDRH-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CCC[N@H+](Cc1cn[nH]n1)C[C@@H]1CCCCO1 ZINC000411370210 191182006 /nfs/dbraw/zinc/18/20/06/191182006.db2.gz SPUBMOARILRDRH-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000336068245 538102911 /nfs/dbraw/zinc/10/29/11/538102911.db2.gz JRWYRCZJLRVVCH-QWRGUYRKSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000336068245 538102912 /nfs/dbraw/zinc/10/29/12/538102912.db2.gz JRWYRCZJLRVVCH-QWRGUYRKSA-N 1 2 233.315 1.601 20 0 BDADLO CCc1nc(C(C)C)ccc1C[N@H+](C)CC(N)=O ZINC000293636253 352357118 /nfs/dbraw/zinc/35/71/18/352357118.db2.gz XFSLREOQPLKXKY-UHFFFAOYSA-N 1 2 249.358 1.685 20 0 BDADLO CCc1nc(C(C)C)ccc1C[N@@H+](C)CC(N)=O ZINC000293636253 352357120 /nfs/dbraw/zinc/35/71/20/352357120.db2.gz XFSLREOQPLKXKY-UHFFFAOYSA-N 1 2 249.358 1.685 20 0 BDADLO O=C(CCc1ccsc1)NCc1c[nH+]c[nH]1 ZINC000607948792 352454572 /nfs/dbraw/zinc/45/45/72/352454572.db2.gz VDXAZEUVIGWRMO-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C(CCc1ccsc1)NCc1c[nH]c[nH+]1 ZINC000607948792 352454577 /nfs/dbraw/zinc/45/45/77/352454577.db2.gz VDXAZEUVIGWRMO-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC(C)(C)CO)[nH]1 ZINC000411770153 191210264 /nfs/dbraw/zinc/21/02/64/191210264.db2.gz CEEBRXUKIGQUMP-QMMMGPOBSA-N 1 2 226.324 1.124 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC(C)(C)CO)[nH]1 ZINC000411770153 191210267 /nfs/dbraw/zinc/21/02/67/191210267.db2.gz CEEBRXUKIGQUMP-QMMMGPOBSA-N 1 2 226.324 1.124 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC1(C)C ZINC000613413569 363189174 /nfs/dbraw/zinc/18/91/74/363189174.db2.gz SGTQPEKZNJBUHI-NSHDSACASA-N 1 2 235.331 1.515 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000411839392 191216787 /nfs/dbraw/zinc/21/67/87/191216787.db2.gz IXKCWAKVDQPHDL-ZDUSSCGKSA-N 1 2 239.290 1.866 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000411839392 191216789 /nfs/dbraw/zinc/21/67/89/191216789.db2.gz IXKCWAKVDQPHDL-ZDUSSCGKSA-N 1 2 239.290 1.866 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1nnnn1C1CC1 ZINC000608068399 352664174 /nfs/dbraw/zinc/66/41/74/352664174.db2.gz BPUOFAOJWZUDAG-UHFFFAOYSA-N 1 2 233.275 1.199 20 0 BDADLO c1c(CNc2cccnn2)[nH+]c2ccccn12 ZINC000608074913 352670695 /nfs/dbraw/zinc/67/06/95/352670695.db2.gz RWTONYLOQRZJSP-UHFFFAOYSA-N 1 2 225.255 1.158 20 0 BDADLO CO[C@@](C)([C@H](C)[NH2+]Cc1noc(C)n1)C1CC1 ZINC000411958666 191234566 /nfs/dbraw/zinc/23/45/66/191234566.db2.gz XHQPPEYXZOBBSG-UFBFGSQYSA-N 1 2 239.319 1.671 20 0 BDADLO CO[C@H](CNc1ccc(C)[nH+]c1)[C@H]1CCOC1 ZINC000638761865 352699201 /nfs/dbraw/zinc/69/92/01/352699201.db2.gz MKPBSAMBACALQV-WCQYABFASA-N 1 2 236.315 1.853 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412045190 191244592 /nfs/dbraw/zinc/24/45/92/191244592.db2.gz RLYHPYSODAIVPB-NXEZZACHSA-N 1 2 226.299 1.651 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412045190 191244594 /nfs/dbraw/zinc/24/45/94/191244594.db2.gz RLYHPYSODAIVPB-NXEZZACHSA-N 1 2 226.299 1.651 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC2(C1)CCCC2 ZINC000336397620 180782718 /nfs/dbraw/zinc/78/27/18/180782718.db2.gz DKEMISRYNBZVAA-UHFFFAOYSA-N 1 2 248.330 1.506 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412045195 191244452 /nfs/dbraw/zinc/24/44/52/191244452.db2.gz RLYHPYSODAIVPB-ZJUUUORDSA-N 1 2 226.299 1.651 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412045195 191244454 /nfs/dbraw/zinc/24/44/54/191244454.db2.gz RLYHPYSODAIVPB-ZJUUUORDSA-N 1 2 226.299 1.651 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccccn1 ZINC000334177433 352762576 /nfs/dbraw/zinc/76/25/76/352762576.db2.gz CUEDYRPUOWODSZ-NWDGAFQWSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccccn1 ZINC000334177433 352762577 /nfs/dbraw/zinc/76/25/77/352762577.db2.gz CUEDYRPUOWODSZ-NWDGAFQWSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)[C@@H](C)CN1C ZINC000334177430 352762612 /nfs/dbraw/zinc/76/26/12/352762612.db2.gz CUEDYRPUOWODSZ-NEPJUHHUSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H](C)CN1C ZINC000334177430 352762613 /nfs/dbraw/zinc/76/26/13/352762613.db2.gz CUEDYRPUOWODSZ-NEPJUHHUSA-N 1 2 219.332 1.606 20 0 BDADLO Cn1cnnc1SCc1cc[nH+]c(N)c1 ZINC000052756104 180797640 /nfs/dbraw/zinc/79/76/40/180797640.db2.gz PTRWYNGVEROOGU-UHFFFAOYSA-N 1 2 221.289 1.085 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000334242125 352830548 /nfs/dbraw/zinc/83/05/48/352830548.db2.gz XDPFONWIZRYMGA-JQWIXIFHSA-N 1 2 231.299 1.828 20 0 BDADLO C[C@]1(F)CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000334210610 352807826 /nfs/dbraw/zinc/80/78/26/352807826.db2.gz GHADYPHOTFEFRO-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO C[C@]1(F)CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000334210610 352807830 /nfs/dbraw/zinc/80/78/30/352807830.db2.gz GHADYPHOTFEFRO-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cnn3ccccc23)C1 ZINC000334256757 352867386 /nfs/dbraw/zinc/86/73/86/352867386.db2.gz PKMYTZNEHMGPDM-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000334256757 352867387 /nfs/dbraw/zinc/86/73/87/352867387.db2.gz PKMYTZNEHMGPDM-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO O=C(C1CC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000334259790 352871018 /nfs/dbraw/zinc/87/10/18/352871018.db2.gz QXJCYSMASIABKE-ZDUSSCGKSA-N 1 2 248.301 1.709 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@@](C)(F)C1 ZINC000334259474 352871674 /nfs/dbraw/zinc/87/16/74/352871674.db2.gz UMEFJSJTOKISNI-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334259474 352871678 /nfs/dbraw/zinc/87/16/78/352871678.db2.gz UMEFJSJTOKISNI-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000334259474 352871680 /nfs/dbraw/zinc/87/16/80/352871680.db2.gz UMEFJSJTOKISNI-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO Cc1c[nH+]c(CN2CCC=C(C)C2)n1C ZINC000342853561 352876412 /nfs/dbraw/zinc/87/64/12/352876412.db2.gz OAVYNLUWNBWUEB-UHFFFAOYSA-N 1 2 205.305 1.881 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cncs1 ZINC000334270846 352907037 /nfs/dbraw/zinc/90/70/37/352907037.db2.gz SYCGREDWWZNUMS-UHFFFAOYSA-N 1 2 219.269 1.521 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334278389 352913018 /nfs/dbraw/zinc/91/30/18/352913018.db2.gz UHXRMLVPNUFGED-OLZOCXBDSA-N 1 2 236.315 1.990 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334278389 352913022 /nfs/dbraw/zinc/91/30/22/352913022.db2.gz UHXRMLVPNUFGED-OLZOCXBDSA-N 1 2 236.315 1.990 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccn1 ZINC000342861669 352879281 /nfs/dbraw/zinc/87/92/81/352879281.db2.gz UYDHBNARDQCCJS-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccn1 ZINC000342861669 352879284 /nfs/dbraw/zinc/87/92/84/352879284.db2.gz UYDHBNARDQCCJS-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccc(N(C)C)n2)o1 ZINC000638802280 352937081 /nfs/dbraw/zinc/93/70/81/352937081.db2.gz QNPSXKIQXSRDKH-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000334369892 353017717 /nfs/dbraw/zinc/01/77/17/353017717.db2.gz NYRGQTDKUWLPCQ-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000334369892 353017720 /nfs/dbraw/zinc/01/77/20/353017720.db2.gz NYRGQTDKUWLPCQ-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CC(C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000073793166 353060565 /nfs/dbraw/zinc/06/05/65/353060565.db2.gz HPESAXOLPAMOCM-GFCCVEGCSA-N 1 2 235.331 1.920 20 0 BDADLO Cn1ccnc1C[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000638919201 353083857 /nfs/dbraw/zinc/08/38/57/353083857.db2.gz LVDPTAMSHKRRTJ-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1ccnc1C[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000638919201 353083859 /nfs/dbraw/zinc/08/38/59/353083859.db2.gz LVDPTAMSHKRRTJ-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO CC(C)N1CCC[C@H]([N@@H+]2CCO[C@@H](C)C2)C1=O ZINC000248356559 353125907 /nfs/dbraw/zinc/12/59/07/353125907.db2.gz OLEXLDXIPFFNHB-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@H]([N@H+]2CCO[C@@H](C)C2)C1=O ZINC000248356559 353125913 /nfs/dbraw/zinc/12/59/13/353125913.db2.gz OLEXLDXIPFFNHB-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000334473166 353118524 /nfs/dbraw/zinc/11/85/24/353118524.db2.gz IVQCBTRQJIRWNA-JTQLQIEISA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncccc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000334473166 353118526 /nfs/dbraw/zinc/11/85/26/353118526.db2.gz IVQCBTRQJIRWNA-JTQLQIEISA-N 1 2 233.315 1.053 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)NC1CC1 ZINC000047616920 353153103 /nfs/dbraw/zinc/15/31/03/353153103.db2.gz SFGWOHYTJOEMKK-UHFFFAOYSA-N 1 2 234.303 1.109 20 0 BDADLO CC[N@@H+](Cc1nnc(C)o1)C[C@@H]1CCCO1 ZINC000051555683 353178448 /nfs/dbraw/zinc/17/84/48/353178448.db2.gz SOPKZOCWINWXIS-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1nnc(C)o1)C[C@@H]1CCCO1 ZINC000051555683 353178453 /nfs/dbraw/zinc/17/84/53/353178453.db2.gz SOPKZOCWINWXIS-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000276470183 538110208 /nfs/dbraw/zinc/11/02/08/538110208.db2.gz QFXQWCBCNLBMMP-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000276470183 538110209 /nfs/dbraw/zinc/11/02/09/538110209.db2.gz QFXQWCBCNLBMMP-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccon1 ZINC000148620569 538110713 /nfs/dbraw/zinc/11/07/13/538110713.db2.gz NZATVFHCISMNJK-LLVKDONJSA-N 1 2 232.287 1.575 20 0 BDADLO CCc1nc(C(C)(C)NCc2c[nH+]cn2C)no1 ZINC000331278063 353233421 /nfs/dbraw/zinc/23/34/21/353233421.db2.gz SFRXEWAWQKXGDK-UHFFFAOYSA-N 1 2 249.318 1.390 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000134552684 538113215 /nfs/dbraw/zinc/11/32/15/538113215.db2.gz QJQYNTFUOJXEGB-GXSJLCMTSA-N 1 2 223.320 1.938 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H]2CCCOC2)o1 ZINC000575031179 353281438 /nfs/dbraw/zinc/28/14/38/353281438.db2.gz OUPJJKDLMLNBEK-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCCOC2)o1 ZINC000575031179 353281441 /nfs/dbraw/zinc/28/14/41/353281441.db2.gz OUPJJKDLMLNBEK-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cn1 ZINC000353208458 188234731 /nfs/dbraw/zinc/23/47/31/188234731.db2.gz QJVGQBIIMQDRPS-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CC(C)C[C@@H]1COCCN1Cc1[nH+]ccn1C ZINC000113942472 188235000 /nfs/dbraw/zinc/23/50/00/188235000.db2.gz IYSCKNXOQUCXJH-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1nccn1C ZINC000113942472 188235002 /nfs/dbraw/zinc/23/50/02/188235002.db2.gz IYSCKNXOQUCXJH-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1nccn1C ZINC000113942472 188235003 /nfs/dbraw/zinc/23/50/03/188235003.db2.gz IYSCKNXOQUCXJH-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)(CF)NC(=O)CCn1cc[nH+]c1 ZINC000354368873 188236104 /nfs/dbraw/zinc/23/61/04/188236104.db2.gz XLLLCQVVBQARTC-UHFFFAOYSA-N 1 2 213.256 1.138 20 0 BDADLO CC(C)=CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356340265 188238589 /nfs/dbraw/zinc/23/85/89/188238589.db2.gz GQRMKGCLRTVRIS-UHFFFAOYSA-N 1 2 210.321 1.505 20 0 BDADLO CC(C)=CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356340265 188238590 /nfs/dbraw/zinc/23/85/90/188238590.db2.gz GQRMKGCLRTVRIS-UHFFFAOYSA-N 1 2 210.321 1.505 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000357652545 188239952 /nfs/dbraw/zinc/23/99/52/188239952.db2.gz INKGRDDGBSCHCN-IUCAKERBSA-N 1 2 220.272 1.440 20 0 BDADLO CC(C)=C(F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371307064 188248029 /nfs/dbraw/zinc/24/80/29/188248029.db2.gz AISOKWRZZKDDIN-MRVPVSSYSA-N 1 2 237.278 1.647 20 0 BDADLO CC(C)=C(F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371307064 188248031 /nfs/dbraw/zinc/24/80/31/188248031.db2.gz AISOKWRZZKDDIN-MRVPVSSYSA-N 1 2 237.278 1.647 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2cccnc2)nn1 ZINC000189940517 188253772 /nfs/dbraw/zinc/25/37/72/188253772.db2.gz INJAGDLEGJLWAS-UHFFFAOYSA-N 1 2 245.330 1.718 20 0 BDADLO CC(C)[N@H+](C)Cc1c(Cl)cnn1C ZINC000275739015 188266042 /nfs/dbraw/zinc/26/60/42/188266042.db2.gz QOXCDTVXCRHAFW-UHFFFAOYSA-N 1 2 201.701 1.914 20 0 BDADLO CC(C)[N@@H+](C)Cc1c(Cl)cnn1C ZINC000275739015 188266043 /nfs/dbraw/zinc/26/60/43/188266043.db2.gz QOXCDTVXCRHAFW-UHFFFAOYSA-N 1 2 201.701 1.914 20 0 BDADLO COc1ncccc1C[NH2+]Cc1cc[nH]n1 ZINC000037485398 188286878 /nfs/dbraw/zinc/28/68/78/188286878.db2.gz QMBZGLZXUKRSGS-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042532676 188294260 /nfs/dbraw/zinc/29/42/60/188294260.db2.gz FIPVZEJIZQNMHN-KXGOJYIESA-N 1 2 219.288 1.520 20 0 BDADLO Cn1ccnc1[C@H]([NH2+]Cc1ccno1)C1CC1 ZINC000639041153 353319329 /nfs/dbraw/zinc/31/93/29/353319329.db2.gz HIVBWBBAFIQWQD-LLVKDONJSA-N 1 2 232.287 1.649 20 0 BDADLO COc1ccc(CC[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000119270669 188328223 /nfs/dbraw/zinc/32/82/23/188328223.db2.gz KQQSALYIINPNIZ-UHFFFAOYSA-N 1 2 248.326 1.012 20 0 BDADLO COc1ccc(CC[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000119270669 188328226 /nfs/dbraw/zinc/32/82/26/188328226.db2.gz KQQSALYIINPNIZ-UHFFFAOYSA-N 1 2 248.326 1.012 20 0 BDADLO CC(C)N(CCn1cc[nH+]c1)CC(F)F ZINC000120506939 188328231 /nfs/dbraw/zinc/32/82/31/188328231.db2.gz WDTRXVROIUWJBK-UHFFFAOYSA-N 1 2 217.263 1.859 20 0 BDADLO CC(C)=CC(=O)NCCCNc1cccc[nH+]1 ZINC000118724626 188328281 /nfs/dbraw/zinc/32/82/81/188328281.db2.gz UEQNQUBAUSJVNX-UHFFFAOYSA-N 1 2 233.315 1.966 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccns2)CCN1C ZINC000639058611 353364342 /nfs/dbraw/zinc/36/43/42/353364342.db2.gz QWEXGMJWNAZKDG-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccns2)CCN1C ZINC000639058611 353364345 /nfs/dbraw/zinc/36/43/45/353364345.db2.gz QWEXGMJWNAZKDG-NXEZZACHSA-N 1 2 225.361 1.668 20 0 BDADLO CC(C)[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000171912068 188338786 /nfs/dbraw/zinc/33/87/86/188338786.db2.gz KMEAYBTWSSWTMP-JTQLQIEISA-N 1 2 209.293 1.291 20 0 BDADLO C([NH2+]C1CCC2(CC2)CC1)[C@H]1C[NH2+]CCO1 ZINC000335048674 188356246 /nfs/dbraw/zinc/35/62/46/188356246.db2.gz AYEBSJHEHCZBQQ-GFCCVEGCSA-N 1 2 224.348 1.287 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC[C@H]1CCCO1 ZINC000365292137 188357107 /nfs/dbraw/zinc/35/71/07/188357107.db2.gz JSDIHROXHNYCLV-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC[C@H]1CCCO1 ZINC000365292137 188357108 /nfs/dbraw/zinc/35/71/08/188357108.db2.gz JSDIHROXHNYCLV-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO C/C(=C\c1ccccc1)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000179721112 188343458 /nfs/dbraw/zinc/34/34/58/188343458.db2.gz OCNCQWVAYMEMRH-XSNHNAGMSA-N 1 2 244.338 1.910 20 0 BDADLO C/C(=C\c1ccccc1)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000179721112 188343460 /nfs/dbraw/zinc/34/34/60/188343460.db2.gz OCNCQWVAYMEMRH-XSNHNAGMSA-N 1 2 244.338 1.910 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1nc2ccccc2o1 ZINC000639064523 353375468 /nfs/dbraw/zinc/37/54/68/353375468.db2.gz BOHJMWDXXHTPPW-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO CC(C)[N@H+](CCn1cncn1)CC(F)F ZINC000336645154 188357904 /nfs/dbraw/zinc/35/79/04/188357904.db2.gz HRTYZCPCSDGCDF-UHFFFAOYSA-N 1 2 218.251 1.254 20 0 BDADLO CC(C)[N@@H+](CCn1cncn1)CC(F)F ZINC000336645154 188357906 /nfs/dbraw/zinc/35/79/06/188357906.db2.gz HRTYZCPCSDGCDF-UHFFFAOYSA-N 1 2 218.251 1.254 20 0 BDADLO CC(=O)OC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000188852327 188348342 /nfs/dbraw/zinc/34/83/42/188348342.db2.gz QOUOQZKMJKGOAZ-UHFFFAOYSA-N 1 2 236.271 1.670 20 0 BDADLO Cc1cc(N[C@@H](C)C(=O)N(C)C)nc(C2CC2)[nH+]1 ZINC000189699387 188350209 /nfs/dbraw/zinc/35/02/09/188350209.db2.gz MMDZHEDTAIFAMG-VIFPVBQESA-N 1 2 248.330 1.551 20 0 BDADLO CC(=O)CSCC(=O)Nc1cc[nH+]c(C)c1 ZINC000192795626 188352476 /nfs/dbraw/zinc/35/24/76/188352476.db2.gz FXGYXTGTUBBQON-UHFFFAOYSA-N 1 2 238.312 1.651 20 0 BDADLO CC(C)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000269834151 188374718 /nfs/dbraw/zinc/37/47/18/188374718.db2.gz QFGZZBHGDYADKG-JTQLQIEISA-N 1 2 238.335 1.654 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000269834153 188374738 /nfs/dbraw/zinc/37/47/38/188374738.db2.gz QFGZZBHGDYADKG-SNVBAGLBSA-N 1 2 238.335 1.654 20 0 BDADLO Cc1ccc(CC(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000336943668 188360866 /nfs/dbraw/zinc/36/08/66/188360866.db2.gz LQXDNBOJOZXCNB-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CC(=O)CCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000337516814 188363149 /nfs/dbraw/zinc/36/31/49/188363149.db2.gz JIYUSUVNLCLBDI-UHFFFAOYSA-N 1 2 237.303 1.101 20 0 BDADLO CC(C)(O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000270305432 188375756 /nfs/dbraw/zinc/37/57/56/188375756.db2.gz QRJUDSVTVJLPTK-UHFFFAOYSA-N 1 2 236.319 1.481 20 0 BDADLO CC(C)(O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000270305432 188375757 /nfs/dbraw/zinc/37/57/57/188375757.db2.gz QRJUDSVTVJLPTK-UHFFFAOYSA-N 1 2 236.319 1.481 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C2CC(O)C2)s1 ZINC000338302439 188365380 /nfs/dbraw/zinc/36/53/80/188365380.db2.gz JMZYNAHCLZSBMW-KXNKJCORSA-N 1 2 227.333 1.363 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C2CC(O)C2)s1 ZINC000338302439 188365382 /nfs/dbraw/zinc/36/53/82/188365382.db2.gz JMZYNAHCLZSBMW-KXNKJCORSA-N 1 2 227.333 1.363 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCc1ccco1 ZINC000339091119 188367587 /nfs/dbraw/zinc/36/75/87/188367587.db2.gz SWLVEMCJJMJUNZ-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccccn1 ZINC000398358266 363224980 /nfs/dbraw/zinc/22/49/80/363224980.db2.gz IKKDEJKUFJXHQT-QMMMGPOBSA-N 1 2 203.249 1.051 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]1C1CC1 ZINC000339169828 188367708 /nfs/dbraw/zinc/36/77/08/188367708.db2.gz PQWLZHWYRIXXHS-RYUDHWBXSA-N 1 2 233.315 1.267 20 0 BDADLO COc1ccccc1C[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000398357467 363225070 /nfs/dbraw/zinc/22/50/70/363225070.db2.gz WCFBSHHVOPDREU-JTQLQIEISA-N 1 2 246.314 1.534 20 0 BDADLO Cc1nc(N(C)Cc2cnccn2)cc[nH+]1 ZINC000266234466 188371578 /nfs/dbraw/zinc/37/15/78/188371578.db2.gz KCHTVIDDLYFJRM-UHFFFAOYSA-N 1 2 215.260 1.211 20 0 BDADLO Cc1c(C[N@@H+]2CCC[C@]23CCOC3=O)cnn1C ZINC000275150543 188379377 /nfs/dbraw/zinc/37/93/77/188379377.db2.gz XTEBQMFSWRTBTC-CYBMUJFWSA-N 1 2 249.314 1.010 20 0 BDADLO Cc1c(C[N@H+]2CCC[C@]23CCOC3=O)cnn1C ZINC000275150543 188379379 /nfs/dbraw/zinc/37/93/79/188379379.db2.gz XTEBQMFSWRTBTC-CYBMUJFWSA-N 1 2 249.314 1.010 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000276520682 188379979 /nfs/dbraw/zinc/37/99/79/188379979.db2.gz CPMKNRCYCKZWKT-RYUDHWBXSA-N 1 2 247.342 1.611 20 0 BDADLO CC(=O)OCCCSCc1c[nH+]cn1C ZINC000278609532 188382453 /nfs/dbraw/zinc/38/24/53/188382453.db2.gz IRYYTLJSOMPPBT-UHFFFAOYSA-N 1 2 228.317 1.607 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1(C)CCCC1 ZINC000280584754 188383228 /nfs/dbraw/zinc/38/32/28/188383228.db2.gz MUBXWMRZCYMRSW-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO CCCCOC[C@H](O)C[N@H+](C)Cc1ccon1 ZINC000280003457 188383793 /nfs/dbraw/zinc/38/37/93/188383793.db2.gz LHRVFBCYGDXKIG-GFCCVEGCSA-N 1 2 242.319 1.284 20 0 BDADLO CCCCOC[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC000280003457 188383794 /nfs/dbraw/zinc/38/37/94/188383794.db2.gz LHRVFBCYGDXKIG-GFCCVEGCSA-N 1 2 242.319 1.284 20 0 BDADLO CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281852849 188384997 /nfs/dbraw/zinc/38/49/97/188384997.db2.gz BJEISWJKOLSEFS-GFCCVEGCSA-N 1 2 247.342 1.945 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccns2)C[C@H](C)O1 ZINC000639087856 353435138 /nfs/dbraw/zinc/43/51/38/353435138.db2.gz OZIASYMICBHYJF-UWVGGRQHSA-N 1 2 242.344 1.379 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccns2)C[C@H](C)O1 ZINC000639087856 353435139 /nfs/dbraw/zinc/43/51/39/353435139.db2.gz OZIASYMICBHYJF-UWVGGRQHSA-N 1 2 242.344 1.379 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(CCO)C1CC1 ZINC000287457933 188388532 /nfs/dbraw/zinc/38/85/32/188388532.db2.gz INNYTWCVGWWBIN-UHFFFAOYSA-N 1 2 249.314 1.687 20 0 BDADLO CC(=O)NC1C[NH+](C/C=C/c2ccccc2)C1 ZINC000297301412 188395391 /nfs/dbraw/zinc/39/53/91/188395391.db2.gz BFXLCBRPVMGTSE-VMPITWQZSA-N 1 2 230.311 1.520 20 0 BDADLO CC[C@H]([NH2+]Cc1c[nH]nn1)[C@H]1CC1(C)C ZINC000398381831 363229209 /nfs/dbraw/zinc/22/92/09/363229209.db2.gz HLNFLJADMGLYNR-ZJUUUORDSA-N 1 2 208.309 1.719 20 0 BDADLO CC[C@H]([NH2+]Cc1cn[nH]n1)[C@H]1CC1(C)C ZINC000398381831 363229212 /nfs/dbraw/zinc/22/92/12/363229212.db2.gz HLNFLJADMGLYNR-ZJUUUORDSA-N 1 2 208.309 1.719 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000298286050 188396347 /nfs/dbraw/zinc/39/63/47/188396347.db2.gz PJSDXXRYXRTKIV-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000298286050 188396348 /nfs/dbraw/zinc/39/63/48/188396348.db2.gz PJSDXXRYXRTKIV-GFCCVEGCSA-N 1 2 206.289 1.692 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000050103778 188399744 /nfs/dbraw/zinc/39/97/44/188399744.db2.gz OBVHTAIWJHDDDO-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000050103778 188399745 /nfs/dbraw/zinc/39/97/45/188399745.db2.gz OBVHTAIWJHDDDO-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000334964848 535234550 /nfs/dbraw/zinc/23/45/50/535234550.db2.gz VQOYUPPPKKUHDF-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO CCN1CCC[N@H+](Cc2ccns2)CC1=O ZINC000639093059 353470636 /nfs/dbraw/zinc/47/06/36/353470636.db2.gz HFJCUEVXPDQEIK-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccns2)CC1=O ZINC000639093059 353470640 /nfs/dbraw/zinc/47/06/40/353470640.db2.gz HFJCUEVXPDQEIK-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC[C@@](C)(C[N@@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639095268 353480110 /nfs/dbraw/zinc/48/01/10/353480110.db2.gz MPULWBPXWACINF-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@](C)(C[N@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639095268 353480112 /nfs/dbraw/zinc/48/01/12/353480112.db2.gz MPULWBPXWACINF-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH]nn1 ZINC000398390098 363229003 /nfs/dbraw/zinc/22/90/03/363229003.db2.gz ZDRZPPRJAQJUHW-GFCCVEGCSA-N 1 2 230.315 1.916 20 0 BDADLO CC[C@H](Cc1ccccc1)[NH2+]Cc1cn[nH]n1 ZINC000398390098 363229005 /nfs/dbraw/zinc/22/90/05/363229005.db2.gz ZDRZPPRJAQJUHW-GFCCVEGCSA-N 1 2 230.315 1.916 20 0 BDADLO Cn1ccnc1C[NH+]1CC2(C1)CCCC2 ZINC000334513568 353568612 /nfs/dbraw/zinc/56/86/12/353568612.db2.gz RYYPAVJJJFBAEI-UHFFFAOYSA-N 1 2 205.305 1.796 20 0 BDADLO C[C@@H](CC(=O)NC1CCC1)n1cc[nH+]c1 ZINC000572529679 324210910 /nfs/dbraw/zinc/21/09/10/324210910.db2.gz QJJTVTHOEPLDQM-VIFPVBQESA-N 1 2 207.277 1.503 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C(C)C ZINC000304289887 324198379 /nfs/dbraw/zinc/19/83/79/324198379.db2.gz YVXJIJLVICQFNI-ZJUUUORDSA-N 1 2 231.336 1.181 20 0 BDADLO Fc1ccccc1C[NH2+]Cc1cc[nH]n1 ZINC000036900069 181012556 /nfs/dbraw/zinc/01/25/56/181012556.db2.gz KFFOJIDCLRFSRB-UHFFFAOYSA-N 1 2 205.236 1.839 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528393360 324218683 /nfs/dbraw/zinc/21/86/83/324218683.db2.gz WAWLBEXAGCSNKL-RZCNENHTSA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528393360 324218685 /nfs/dbraw/zinc/21/86/85/324218685.db2.gz WAWLBEXAGCSNKL-RZCNENHTSA-N 1 2 219.712 1.476 20 0 BDADLO CCc1cnc(C[NH+]2CC(C)(C(N)=O)C2)s1 ZINC000563887482 353780706 /nfs/dbraw/zinc/78/07/06/353780706.db2.gz ACRDSIKEVZDKEJ-UHFFFAOYSA-N 1 2 239.344 1.013 20 0 BDADLO c1c(CNCC[N@H+]2CC=CCC2)onc1C1CC1 ZINC000639124562 353809320 /nfs/dbraw/zinc/80/93/20/353809320.db2.gz WULGEEXKTKKNBY-UHFFFAOYSA-N 1 2 247.342 1.904 20 0 BDADLO c1c(CNCC[N@@H+]2CC=CCC2)onc1C1CC1 ZINC000639124562 353809323 /nfs/dbraw/zinc/80/93/23/353809323.db2.gz WULGEEXKTKKNBY-UHFFFAOYSA-N 1 2 247.342 1.904 20 0 BDADLO CCc1cc(N[C@@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000136368638 491056459 /nfs/dbraw/zinc/05/64/59/491056459.db2.gz OJMFGDJVTQSAFO-DTWKUNHWSA-N 1 2 209.293 1.610 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C(F)F ZINC000343376383 353874459 /nfs/dbraw/zinc/87/44/59/353874459.db2.gz LVQCMRILSBCBPI-VIFPVBQESA-N 1 2 243.257 1.529 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ncccc1F ZINC000343398730 353877488 /nfs/dbraw/zinc/87/74/88/353877488.db2.gz GKNPJGJKTYGDLR-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccno2)[C@@H](C(N)=O)C1 ZINC000334537837 353924893 /nfs/dbraw/zinc/92/48/93/353924893.db2.gz WWKXICQJFYMFOO-PSASIEDQSA-N 1 2 223.276 1.810 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccno2)[C@@H](C(N)=O)C1 ZINC000334537837 353924897 /nfs/dbraw/zinc/92/48/97/353924897.db2.gz WWKXICQJFYMFOO-PSASIEDQSA-N 1 2 223.276 1.810 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NCC(F)F)C1CC1 ZINC000639163486 353968649 /nfs/dbraw/zinc/96/86/49/353968649.db2.gz WHXSOPFRUBXWJH-VIFPVBQESA-N 1 2 215.247 1.726 20 0 BDADLO COCC[C@@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000412469403 191290570 /nfs/dbraw/zinc/29/05/70/191290570.db2.gz IFHNHFAFKRPQMW-MRVPVSSYSA-N 1 2 225.292 1.121 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000343787568 353993654 /nfs/dbraw/zinc/99/36/54/353993654.db2.gz RBQDCGOGZBVLSG-QWRGUYRKSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000343787568 353993656 /nfs/dbraw/zinc/99/36/56/353993656.db2.gz RBQDCGOGZBVLSG-QWRGUYRKSA-N 1 2 248.330 1.524 20 0 BDADLO CCn1ncnc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000334553074 353994932 /nfs/dbraw/zinc/99/49/32/353994932.db2.gz OBROXVNBOIVNGZ-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO c1nc2n(n1)CC[N@@H+]([C@H]1C[C@H]1c1ccccc1)C2 ZINC000334554868 353999250 /nfs/dbraw/zinc/99/92/50/353999250.db2.gz OGFGHPWGYJDDAZ-STQMWFEESA-N 1 2 240.310 1.650 20 0 BDADLO c1nc2n(n1)CC[N@H+]([C@H]1C[C@H]1c1ccccc1)C2 ZINC000334554868 353999255 /nfs/dbraw/zinc/99/92/55/353999255.db2.gz OGFGHPWGYJDDAZ-STQMWFEESA-N 1 2 240.310 1.650 20 0 BDADLO FC(F)(F)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000334555736 354001304 /nfs/dbraw/zinc/00/13/04/354001304.db2.gz PPCPVOWFKOUNFF-SECBINFHSA-N 1 2 239.237 1.430 20 0 BDADLO FC(F)(F)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000334555736 354001307 /nfs/dbraw/zinc/00/13/07/354001307.db2.gz PPCPVOWFKOUNFF-SECBINFHSA-N 1 2 239.237 1.430 20 0 BDADLO CCn1nncc1C[N@@H+]1CCc2ccsc2C1 ZINC000334558004 354005612 /nfs/dbraw/zinc/00/56/12/354005612.db2.gz GUSOEWNRXUYXJL-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CCn1nncc1C[N@H+]1CCc2ccsc2C1 ZINC000334558004 354005614 /nfs/dbraw/zinc/00/56/14/354005614.db2.gz GUSOEWNRXUYXJL-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CC(C)c1nc(NCC[C@@H]2CCOC2)cc[nH+]1 ZINC000343801597 354006232 /nfs/dbraw/zinc/00/62/32/354006232.db2.gz RQNNRIWVZHSDJY-LLVKDONJSA-N 1 2 235.331 1.860 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CC[C@H]2C)[nH+]1 ZINC000343806162 354009328 /nfs/dbraw/zinc/00/93/28/354009328.db2.gz JVPMLGOXYUOCIX-NXEZZACHSA-N 1 2 249.362 1.693 20 0 BDADLO CC(C)c1nc(N[C@@H]2CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000343806162 354009330 /nfs/dbraw/zinc/00/93/30/354009330.db2.gz JVPMLGOXYUOCIX-NXEZZACHSA-N 1 2 249.362 1.693 20 0 BDADLO Cc1cc(NCC[C@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000343825730 354015913 /nfs/dbraw/zinc/01/59/13/354015913.db2.gz KFYUXUYNBBDCEP-NSHDSACASA-N 1 2 247.342 1.923 20 0 BDADLO CC(C)[C@@H](CO)CNc1cc[nH+]c2ccncc12 ZINC000343852396 354022472 /nfs/dbraw/zinc/02/24/72/354022472.db2.gz KMJOTFTZTHWJNH-LLVKDONJSA-N 1 2 245.326 1.728 20 0 BDADLO c1c2cccnc2oc1C[NH+]1CCOCC1 ZINC000334576260 354109166 /nfs/dbraw/zinc/10/91/66/354109166.db2.gz JHCXEDJFDSEFCM-UHFFFAOYSA-N 1 2 218.256 1.660 20 0 BDADLO CC[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082387 354136267 /nfs/dbraw/zinc/13/62/67/354136267.db2.gz DGBPVWCMXHFTFU-DTWKUNHWSA-N 1 2 224.308 1.488 20 0 BDADLO CC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082387 354136269 /nfs/dbraw/zinc/13/62/69/354136269.db2.gz DGBPVWCMXHFTFU-DTWKUNHWSA-N 1 2 224.308 1.488 20 0 BDADLO COCCOCC[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000344119360 354142508 /nfs/dbraw/zinc/14/25/08/354142508.db2.gz OKSOYLVEBCFZNL-VIFPVBQESA-N 1 2 243.307 1.034 20 0 BDADLO COCCOCC[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000344119360 354142512 /nfs/dbraw/zinc/14/25/12/354142512.db2.gz OKSOYLVEBCFZNL-VIFPVBQESA-N 1 2 243.307 1.034 20 0 BDADLO COC1CC([NH2+][C@@H](C)C(=O)OC(C)C)C1 ZINC000449658407 201997941 /nfs/dbraw/zinc/99/79/41/201997941.db2.gz AUPBWIYNHZJUDB-IDKOKCKLSA-N 1 2 215.293 1.094 20 0 BDADLO COc1cc[nH+]cc1CSc1c[nH]nn1 ZINC000344151777 354156087 /nfs/dbraw/zinc/15/60/87/354156087.db2.gz WWPSZWIGSQPRNC-UHFFFAOYSA-N 1 2 222.273 1.501 20 0 BDADLO COc1cc[nH+]cc1CSc1cn[nH]n1 ZINC000344151777 354156088 /nfs/dbraw/zinc/15/60/88/354156088.db2.gz WWPSZWIGSQPRNC-UHFFFAOYSA-N 1 2 222.273 1.501 20 0 BDADLO Cc1noc(C)c1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000344157431 354157632 /nfs/dbraw/zinc/15/76/32/354157632.db2.gz LABIZNMRGIBGDM-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO CC(C)(CC(=O)Nc1cc[nH+]cc1O)C1CC1 ZINC000344196635 354181196 /nfs/dbraw/zinc/18/11/96/354181196.db2.gz SIYUDUBWLOMYRJ-UHFFFAOYSA-N 1 2 234.299 1.974 20 0 BDADLO CNC(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000334582504 354202385 /nfs/dbraw/zinc/20/23/85/354202385.db2.gz MXFGWOUKKWHEDP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CNC(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000334582504 354202386 /nfs/dbraw/zinc/20/23/86/354202386.db2.gz MXFGWOUKKWHEDP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC[C@@H](C)O1 ZINC000232030029 363360102 /nfs/dbraw/zinc/36/01/02/363360102.db2.gz QZAYHXANNVUOAI-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CC[C@@H](C)O1 ZINC000232030029 363360108 /nfs/dbraw/zinc/36/01/08/363360108.db2.gz QZAYHXANNVUOAI-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1cnn(C)c1C(=O)Nc1ccc(C)[nH+]c1C ZINC000334597579 354232192 /nfs/dbraw/zinc/23/21/92/354232192.db2.gz MHCOQASSQLYTNR-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000334598255 354232641 /nfs/dbraw/zinc/23/26/41/354232641.db2.gz WXIBFGZEKKAPFH-WDEREUQCSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)n(C)n1 ZINC000334604304 354284952 /nfs/dbraw/zinc/28/49/52/354284952.db2.gz NMGOFVLOXXPVTC-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)n(C)n1 ZINC000334604304 354284954 /nfs/dbraw/zinc/28/49/54/354284954.db2.gz NMGOFVLOXXPVTC-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO CCN1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000334605308 354311990 /nfs/dbraw/zinc/31/19/90/354311990.db2.gz HCUJOTHOWBXVJD-UHFFFAOYSA-N 1 2 245.326 1.965 20 0 BDADLO CC(C)C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000577974280 366154663 /nfs/dbraw/zinc/15/46/63/366154663.db2.gz FSFDVZJMPCRRDJ-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@H]1CCSC1 ZINC000344619412 354327379 /nfs/dbraw/zinc/32/73/79/354327379.db2.gz QPCQBYDTWRUQHG-SNVBAGLBSA-N 1 2 239.344 1.143 20 0 BDADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000178733294 366158538 /nfs/dbraw/zinc/15/85/38/366158538.db2.gz SIGLDGYCIRSVAR-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CS1 ZINC000412612228 191300906 /nfs/dbraw/zinc/30/09/06/191300906.db2.gz VDEPBALMEJNLMM-NXEZZACHSA-N 1 2 239.344 1.283 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@@H+](C3CCCC3)C2)O1 ZINC000334624164 354363347 /nfs/dbraw/zinc/36/33/47/354363347.db2.gz OUGBOILBKOMWKS-SECBINFHSA-N 1 2 237.303 1.897 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@H+](C3CCCC3)C2)O1 ZINC000334624164 354363348 /nfs/dbraw/zinc/36/33/48/354363348.db2.gz OUGBOILBKOMWKS-SECBINFHSA-N 1 2 237.303 1.897 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000334624164 354363349 /nfs/dbraw/zinc/36/33/49/354363349.db2.gz OUGBOILBKOMWKS-SECBINFHSA-N 1 2 237.303 1.897 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000334624164 354363351 /nfs/dbraw/zinc/36/33/51/354363351.db2.gz OUGBOILBKOMWKS-SECBINFHSA-N 1 2 237.303 1.897 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000334625077 354365083 /nfs/dbraw/zinc/36/50/83/354365083.db2.gz UCDNGNIRTBXQEF-LLVKDONJSA-N 1 2 214.284 1.089 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000334625077 354365084 /nfs/dbraw/zinc/36/50/84/354365084.db2.gz UCDNGNIRTBXQEF-LLVKDONJSA-N 1 2 214.284 1.089 20 0 BDADLO CC(C)(C)c1nnc(C[NH+]2CCCC2)[nH]1 ZINC000334677354 354421100 /nfs/dbraw/zinc/42/11/00/354421100.db2.gz XRSANTMTXOAEJC-UHFFFAOYSA-N 1 2 208.309 1.698 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000334695238 354486110 /nfs/dbraw/zinc/48/61/10/354486110.db2.gz QDRZPGZVBGMGIE-CMPLNLGQSA-N 1 2 248.326 1.677 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(C)on1 ZINC000334659143 354455058 /nfs/dbraw/zinc/45/50/58/354455058.db2.gz ZTKVPSMTLRYXJT-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(C)on1 ZINC000334659143 354455063 /nfs/dbraw/zinc/45/50/63/354455063.db2.gz ZTKVPSMTLRYXJT-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000639189900 354460804 /nfs/dbraw/zinc/46/08/04/354460804.db2.gz JURNXQVIXDUBKI-GFCCVEGCSA-N 1 2 234.347 1.918 20 0 BDADLO CCn1ncnc1C[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000639189900 354460807 /nfs/dbraw/zinc/46/08/07/354460807.db2.gz JURNXQVIXDUBKI-GFCCVEGCSA-N 1 2 234.347 1.918 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)CO1 ZINC000334665181 354466581 /nfs/dbraw/zinc/46/65/81/354466581.db2.gz DCFBIDPDBSZUIK-ZJUUUORDSA-N 1 2 249.314 1.583 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CC[C@H](C)O2)cc[nH+]1 ZINC000334693162 354483514 /nfs/dbraw/zinc/48/35/14/354483514.db2.gz LRLABVLUVXBNEQ-JQWIXIFHSA-N 1 2 249.314 1.501 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2COCC2(C)C)cc[nH+]1 ZINC000334692834 354483575 /nfs/dbraw/zinc/48/35/75/354483575.db2.gz FOALXOQVEYPCCU-LLVKDONJSA-N 1 2 249.314 1.358 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1[C@@H](C)C[C@@H]1C ZINC000334699086 354491445 /nfs/dbraw/zinc/49/14/45/354491445.db2.gz GBSXFNNAWQXZQO-UWVGGRQHSA-N 1 2 249.314 1.783 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H](F)C1 ZINC000334701597 354494285 /nfs/dbraw/zinc/49/42/85/354494285.db2.gz JKPDUHOMBOGGRA-SECBINFHSA-N 1 2 248.261 1.910 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1ccn(C)n1 ZINC000334722960 354523205 /nfs/dbraw/zinc/52/32/05/354523205.db2.gz AOLGHGUPQFNVGE-SECBINFHSA-N 1 2 202.261 1.988 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)c[nH+]1 ZINC000412688198 191305903 /nfs/dbraw/zinc/30/59/03/191305903.db2.gz OVQZXBFCWIQDRJ-MRTMQBJTSA-N 1 2 237.303 1.261 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1F ZINC000412699293 191306654 /nfs/dbraw/zinc/30/66/54/191306654.db2.gz YSXASTWURVGHHQ-GHMZBOCLSA-N 1 2 239.294 1.670 20 0 BDADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H](O)C(C)C ZINC000412740333 191308733 /nfs/dbraw/zinc/30/87/33/191308733.db2.gz DUWFYTNSHYVLBT-ONGXEEELSA-N 1 2 239.319 1.243 20 0 BDADLO CCn1nncc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000334795885 354550290 /nfs/dbraw/zinc/55/02/90/354550290.db2.gz URTINEFBZMROQZ-NSHDSACASA-N 1 2 245.330 1.676 20 0 BDADLO CCn1nncc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000334795885 354550293 /nfs/dbraw/zinc/55/02/93/354550293.db2.gz URTINEFBZMROQZ-NSHDSACASA-N 1 2 245.330 1.676 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000335092106 354628386 /nfs/dbraw/zinc/62/83/86/354628386.db2.gz LJBTZRFZGJORKL-MNOVXSKESA-N 1 2 235.331 1.863 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC[C@H](F)C1 ZINC000335096452 354635844 /nfs/dbraw/zinc/63/58/44/354635844.db2.gz MTPSKJWELNTEOY-IUCAKERBSA-N 1 2 225.267 1.554 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC[C@H](F)C1 ZINC000335096452 354635846 /nfs/dbraw/zinc/63/58/46/354635846.db2.gz MTPSKJWELNTEOY-IUCAKERBSA-N 1 2 225.267 1.554 20 0 BDADLO O=C(CCc1cscn1)Nc1cc[nH+]cc1O ZINC000345375914 354656970 /nfs/dbraw/zinc/65/69/70/354656970.db2.gz NEMVFIGDKAADMZ-UHFFFAOYSA-N 1 2 249.295 1.237 20 0 BDADLO CN1CC[C@@H](CNc2cccc[nH+]2)CC1=O ZINC000335088643 354623055 /nfs/dbraw/zinc/62/30/55/354623055.db2.gz ASJICSJCYSULJY-SNVBAGLBSA-N 1 2 219.288 1.362 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccccn1 ZINC000345631830 354719331 /nfs/dbraw/zinc/71/93/31/354719331.db2.gz DRWQEWITTAWBDY-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCc1ccccn1 ZINC000345631830 354719333 /nfs/dbraw/zinc/71/93/33/354719333.db2.gz DRWQEWITTAWBDY-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CCC(CC)CC(=O)NCc1[nH+]ccn1C ZINC000345608415 354728663 /nfs/dbraw/zinc/72/86/63/354728663.db2.gz RSMVCTFWQYKJON-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO CC(C)CCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345526670 354672993 /nfs/dbraw/zinc/67/29/93/354672993.db2.gz VWLSMVHDILQBPD-SECBINFHSA-N 1 2 234.290 1.536 20 0 BDADLO c1c[nH+]c(COCc2nnc(C3CC3)s2)[nH]1 ZINC000530108409 324472044 /nfs/dbraw/zinc/47/20/44/324472044.db2.gz MHEIFFMFTLKNMZ-UHFFFAOYSA-N 1 2 236.300 1.855 20 0 BDADLO CC(C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000335134207 354783035 /nfs/dbraw/zinc/78/30/35/354783035.db2.gz VWZLSHNXPGQMDH-UHFFFAOYSA-N 1 2 226.349 1.408 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000345698686 354734948 /nfs/dbraw/zinc/73/49/48/354734948.db2.gz HEJXGBJFMKBAKN-LBPRGKRZSA-N 1 2 237.347 1.605 20 0 BDADLO Cn1cc[nH+]c1[C@@H](C1CC1)N(C1CC1)C1COC1 ZINC000639216207 354829331 /nfs/dbraw/zinc/82/93/31/354829331.db2.gz SFFKAXVDJCDNTB-CYBMUJFWSA-N 1 2 247.342 1.734 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000346133554 354870101 /nfs/dbraw/zinc/87/01/01/354870101.db2.gz MVBKKCRDBLKLRO-SECBINFHSA-N 1 2 239.344 1.155 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000346133554 354870103 /nfs/dbraw/zinc/87/01/03/354870103.db2.gz MVBKKCRDBLKLRO-SECBINFHSA-N 1 2 239.344 1.155 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000346398938 354910468 /nfs/dbraw/zinc/91/04/68/354910468.db2.gz PEIGRWWIDCITFC-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)CCC2CC2)[nH+]1 ZINC000346255296 354881843 /nfs/dbraw/zinc/88/18/43/354881843.db2.gz QSOOIBUJKVCUBM-VIFPVBQESA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H](C)CCC2CC2)nc(N(C)C)[nH+]1 ZINC000346255296 354881844 /nfs/dbraw/zinc/88/18/44/354881844.db2.gz QSOOIBUJKVCUBM-VIFPVBQESA-N 1 2 249.362 1.659 20 0 BDADLO C[NH+](C)C(C)(C)CNc1cc[nH+]c(C(=O)[O-])c1 ZINC000043412162 491069692 /nfs/dbraw/zinc/06/96/92/491069692.db2.gz WTUOEHFHWYFHNK-UHFFFAOYSA-N 1 2 237.303 1.532 20 0 BDADLO CCc1nc(C(=O)Nc2c[nH+]ccc2OC)co1 ZINC000346652187 355018944 /nfs/dbraw/zinc/01/89/44/355018944.db2.gz CIPIMLJUWLDKHB-UHFFFAOYSA-N 1 2 247.254 1.893 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2nccn2C)c(=O)[nH]1 ZINC000346811716 355121013 /nfs/dbraw/zinc/12/10/13/355121013.db2.gz VDCPJHNDWXVVIG-MRVPVSSYSA-N 1 2 247.302 1.075 20 0 BDADLO CC(C)c1nc(N[C@H](C)Cn2cccn2)cc[nH+]1 ZINC000346740685 355090089 /nfs/dbraw/zinc/09/00/89/355090089.db2.gz HFEUDQZSBHMOJQ-LLVKDONJSA-N 1 2 245.330 1.719 20 0 BDADLO Cc1nc(N2CCC[C@@](C)(O)C2)c(C)c(C)[nH+]1 ZINC000346702830 355093295 /nfs/dbraw/zinc/09/32/95/355093295.db2.gz UYTCSIPFJLORET-CYBMUJFWSA-N 1 2 235.331 1.753 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000346847254 355136752 /nfs/dbraw/zinc/13/67/52/355136752.db2.gz OPXMKXCLZZHPLY-QWRGUYRKSA-N 1 2 238.335 1.377 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000346847254 355136754 /nfs/dbraw/zinc/13/67/54/355136754.db2.gz OPXMKXCLZZHPLY-QWRGUYRKSA-N 1 2 238.335 1.377 20 0 BDADLO c1cc(N2CCCOCC2)nc(C2CC2)[nH+]1 ZINC000346898757 355148581 /nfs/dbraw/zinc/14/85/81/355148581.db2.gz DFJMBPFUTQLXKT-UHFFFAOYSA-N 1 2 219.288 1.581 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1nncn1C ZINC000346908315 355151192 /nfs/dbraw/zinc/15/11/92/355151192.db2.gz RTQADMZNFWBIEM-QWRGUYRKSA-N 1 2 238.335 1.377 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1nncn1C ZINC000346908315 355151194 /nfs/dbraw/zinc/15/11/94/355151194.db2.gz RTQADMZNFWBIEM-QWRGUYRKSA-N 1 2 238.335 1.377 20 0 BDADLO Cc1ccc(O)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000019837127 355170616 /nfs/dbraw/zinc/17/06/16/355170616.db2.gz FMUSQLQBBZXQGU-UHFFFAOYSA-N 1 2 234.299 1.088 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335243607 355180230 /nfs/dbraw/zinc/18/02/30/355180230.db2.gz HGWAPECLUKJFKR-BDAKNGLRSA-N 1 2 214.309 1.657 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335243607 355180233 /nfs/dbraw/zinc/18/02/33/355180233.db2.gz HGWAPECLUKJFKR-BDAKNGLRSA-N 1 2 214.309 1.657 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993275 355191789 /nfs/dbraw/zinc/19/17/89/355191789.db2.gz VQMBXVDIGONLFA-GFCCVEGCSA-N 1 2 234.299 1.782 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993275 355191793 /nfs/dbraw/zinc/19/17/93/355191793.db2.gz VQMBXVDIGONLFA-GFCCVEGCSA-N 1 2 234.299 1.782 20 0 BDADLO CC(C)Oc1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000413150494 191356160 /nfs/dbraw/zinc/35/61/60/191356160.db2.gz VCVLLSASIJGYNH-UHFFFAOYSA-N 1 2 247.302 1.623 20 0 BDADLO CC[C@H]([NH2+]Cc1nc2ccccc2o1)C(=O)NC ZINC000639242900 355230002 /nfs/dbraw/zinc/23/00/02/355230002.db2.gz WBUDIXQVYFFNLZ-VIFPVBQESA-N 1 2 247.298 1.442 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347627924 355240249 /nfs/dbraw/zinc/24/02/49/355240249.db2.gz WBKDNMDKPXDQST-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347627924 355240253 /nfs/dbraw/zinc/24/02/53/355240253.db2.gz WBKDNMDKPXDQST-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@](C)(O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413107798 191354002 /nfs/dbraw/zinc/35/40/02/191354002.db2.gz LATSXIZBYVDPRA-LBPRGKRZSA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@](C)(O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413107798 191354003 /nfs/dbraw/zinc/35/40/03/191354003.db2.gz LATSXIZBYVDPRA-LBPRGKRZSA-N 1 2 236.319 1.624 20 0 BDADLO Cc1nc(N2CCO[C@@H](C3CCC3)C2)cc[nH+]1 ZINC000413484032 191387915 /nfs/dbraw/zinc/38/79/15/191387915.db2.gz YOLVMEBJIVQQMP-GFCCVEGCSA-N 1 2 233.315 1.790 20 0 BDADLO CC(C)c1nc(N2CCO[C@@H](CF)C2)cc[nH+]1 ZINC000413482182 191387970 /nfs/dbraw/zinc/38/79/70/191387970.db2.gz YBXZWKAAUBKVIK-JTQLQIEISA-N 1 2 239.294 1.775 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@@H]1CO ZINC000413263215 191366928 /nfs/dbraw/zinc/36/69/28/191366928.db2.gz VEQYTCBYWPFXAF-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)[C@@H]1CO ZINC000413263215 191366931 /nfs/dbraw/zinc/36/69/31/191366931.db2.gz VEQYTCBYWPFXAF-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO OCCCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413265989 191367520 /nfs/dbraw/zinc/36/75/20/191367520.db2.gz LKNZBGWHVWNNGI-UHFFFAOYSA-N 1 2 236.319 1.625 20 0 BDADLO OCCCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413265989 191367522 /nfs/dbraw/zinc/36/75/22/191367522.db2.gz LKNZBGWHVWNNGI-UHFFFAOYSA-N 1 2 236.319 1.625 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@H]2C)nc[nH+]1 ZINC000413299495 191370545 /nfs/dbraw/zinc/37/05/45/191370545.db2.gz UOAAIRYBFAGTFA-KXUCPTDWSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@H]2C)[nH+]cn1 ZINC000413299495 191370547 /nfs/dbraw/zinc/37/05/47/191370547.db2.gz UOAAIRYBFAGTFA-KXUCPTDWSA-N 1 2 236.319 1.480 20 0 BDADLO CC/C=C\CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413315464 191371250 /nfs/dbraw/zinc/37/12/50/191371250.db2.gz OBHUHAMNVCJHEB-UMCURTJPSA-N 1 2 236.319 1.069 20 0 BDADLO CC/C=C\CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413315464 191371253 /nfs/dbraw/zinc/37/12/53/191371253.db2.gz OBHUHAMNVCJHEB-UMCURTJPSA-N 1 2 236.319 1.069 20 0 BDADLO CC[C@@H](CO)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413322871 191372540 /nfs/dbraw/zinc/37/25/40/191372540.db2.gz HQRHXCTYGWLLFS-JTQLQIEISA-N 1 2 236.319 1.258 20 0 BDADLO CC[C@@H](CO)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413322871 191372541 /nfs/dbraw/zinc/37/25/41/191372541.db2.gz HQRHXCTYGWLLFS-JTQLQIEISA-N 1 2 236.319 1.258 20 0 BDADLO CCC1CN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000413370229 191376541 /nfs/dbraw/zinc/37/65/41/191376541.db2.gz USCMJPDBAOXWFR-UHFFFAOYSA-N 1 2 249.362 1.907 20 0 BDADLO CCC1CN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000413370229 191376544 /nfs/dbraw/zinc/37/65/44/191376544.db2.gz USCMJPDBAOXWFR-UHFFFAOYSA-N 1 2 249.362 1.907 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2C[C@@]2(C)C(C)C)[nH+]1 ZINC000413428417 191379271 /nfs/dbraw/zinc/37/92/71/191379271.db2.gz BKIITYZEQOHJSS-GWCFXTLKSA-N 1 2 249.362 1.514 20 0 BDADLO Cc1nc(N[C@H]2C[C@@]2(C)C(C)C)nc(N(C)C)[nH+]1 ZINC000413428417 191379273 /nfs/dbraw/zinc/37/92/73/191379273.db2.gz BKIITYZEQOHJSS-GWCFXTLKSA-N 1 2 249.362 1.514 20 0 BDADLO Cc1cccn2c(CN3CC(C)(O)C3)c[nH+]c12 ZINC000639253216 355290293 /nfs/dbraw/zinc/29/02/93/355290293.db2.gz ATFVMLYJCJZWOC-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO CC1(O)C[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000639253212 355290635 /nfs/dbraw/zinc/29/06/35/355290635.db2.gz APCCMWURCBQFLU-UHFFFAOYSA-N 1 2 247.342 1.248 20 0 BDADLO COc1cccc(OC)c1C[NH+]1CC(C)(O)C1 ZINC000639253522 355291130 /nfs/dbraw/zinc/29/11/30/355291130.db2.gz IQOGUKSGNNVBOF-UHFFFAOYSA-N 1 2 237.299 1.270 20 0 BDADLO CCOc1ccc(C[NH+]2CC(C)(O)C2)cc1F ZINC000639253482 355291173 /nfs/dbraw/zinc/29/11/73/355291173.db2.gz GVYJFYFGJRNUCX-UHFFFAOYSA-N 1 2 239.290 1.791 20 0 BDADLO Cc1ccc(C[NH+]2CC(C)(O)C2)cc1F ZINC000639254490 355295556 /nfs/dbraw/zinc/29/55/56/355295556.db2.gz WVCFGQCOXQPGMS-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000639265264 355323125 /nfs/dbraw/zinc/32/31/25/355323125.db2.gz IIVATLKWEHXTGA-RKDXNWHRSA-N 1 2 212.272 1.185 20 0 BDADLO CCOC1C[NH+](Cc2c[nH]c3ncncc23)C1 ZINC000639250507 355283316 /nfs/dbraw/zinc/28/33/16/355283316.db2.gz RWLMFQTWKPFAJN-UHFFFAOYSA-N 1 2 232.287 1.130 20 0 BDADLO COC[C@@H](C)C[N@@H+]1CCCC(F)(F)C1 ZINC000651896395 491077567 /nfs/dbraw/zinc/07/75/67/491077567.db2.gz QTOPTENRODWCFF-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO COC[C@@H](C)C[N@H+]1CCCC(F)(F)C1 ZINC000651896395 491077568 /nfs/dbraw/zinc/07/75/68/491077568.db2.gz QTOPTENRODWCFF-VIFPVBQESA-N 1 2 207.264 2.000 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000414372924 191502053 /nfs/dbraw/zinc/50/20/53/191502053.db2.gz QNLUMBFFONWCMO-QWHCGFSZSA-N 1 2 247.342 1.792 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000414372924 191502055 /nfs/dbraw/zinc/50/20/55/191502055.db2.gz QNLUMBFFONWCMO-QWHCGFSZSA-N 1 2 247.342 1.792 20 0 BDADLO CO[C@]1(C[N@@H+]2CCCC(F)(F)C2)CCOC1 ZINC000639288837 355404076 /nfs/dbraw/zinc/40/40/76/355404076.db2.gz LQWXYVHSJFYPBA-JTQLQIEISA-N 1 2 235.274 1.523 20 0 BDADLO CO[C@]1(C[N@H+]2CCCC(F)(F)C2)CCOC1 ZINC000639288837 355404078 /nfs/dbraw/zinc/40/40/78/355404078.db2.gz LQWXYVHSJFYPBA-JTQLQIEISA-N 1 2 235.274 1.523 20 0 BDADLO C[C@@H](O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000335788727 355439080 /nfs/dbraw/zinc/43/90/80/355439080.db2.gz LNIQYQWOABAOCU-SECBINFHSA-N 1 2 231.255 1.192 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335791975 355444503 /nfs/dbraw/zinc/44/45/03/355444503.db2.gz WHLBXUUEQHGFMK-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(C)C2)[nH+]1 ZINC000335792498 355445516 /nfs/dbraw/zinc/44/55/16/355445516.db2.gz PNFRMIUOYJENER-UHFFFAOYSA-N 1 2 202.261 1.722 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1=CCCCCC1 ZINC000335806108 355477507 /nfs/dbraw/zinc/47/75/07/355477507.db2.gz IMHBHGRMZFXQQC-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1=CCCCCC1 ZINC000335806108 355477511 /nfs/dbraw/zinc/47/75/11/355477511.db2.gz IMHBHGRMZFXQQC-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccon1 ZINC000349836317 355490250 /nfs/dbraw/zinc/49/02/50/355490250.db2.gz RUINJBVKSMKCKW-DCAQKATOSA-N 1 2 235.331 1.950 20 0 BDADLO C[C@H]1C[C@@H](CO)CN(c2cc(CO)cc[nH+]2)C1 ZINC000398687421 363452013 /nfs/dbraw/zinc/45/20/13/363452013.db2.gz FQSUPUXZKYKKOM-CMPLNLGQSA-N 1 2 236.315 1.029 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335835259 355562380 /nfs/dbraw/zinc/56/23/80/355562380.db2.gz RFITZGWLWAJBPB-MFKMUULPSA-N 1 2 233.315 1.662 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccco1 ZINC000335822592 355542610 /nfs/dbraw/zinc/54/26/10/355542610.db2.gz UPMBXFWKMUEJSV-OLZOCXBDSA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccco1 ZINC000335822592 355542614 /nfs/dbraw/zinc/54/26/14/355542614.db2.gz UPMBXFWKMUEJSV-OLZOCXBDSA-N 1 2 249.310 1.850 20 0 BDADLO CC1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000335827158 355552635 /nfs/dbraw/zinc/55/26/35/355552635.db2.gz PAPQBANMLPXIIW-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000349974759 355553553 /nfs/dbraw/zinc/55/35/53/355553553.db2.gz QPRUQWCFOVEICX-SECBINFHSA-N 1 2 245.319 1.117 20 0 BDADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)c1ccccc1 ZINC000335841340 355585938 /nfs/dbraw/zinc/58/59/38/355585938.db2.gz NLPPEJXANNAMKM-NSHDSACASA-N 1 2 246.310 1.032 20 0 BDADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)c1ccccc1 ZINC000335841340 355585940 /nfs/dbraw/zinc/58/59/40/355585940.db2.gz NLPPEJXANNAMKM-NSHDSACASA-N 1 2 246.310 1.032 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1occc1C ZINC000350143737 355613967 /nfs/dbraw/zinc/61/39/67/355613967.db2.gz ALLIMIMKASMKEL-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1occc1C ZINC000350143737 355613971 /nfs/dbraw/zinc/61/39/71/355613971.db2.gz ALLIMIMKASMKEL-UHFFFAOYSA-N 1 2 224.304 1.498 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000639302286 355646973 /nfs/dbraw/zinc/64/69/73/355646973.db2.gz LBCZQNQVGAXVND-ONGXEEELSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000639302286 355646976 /nfs/dbraw/zinc/64/69/76/355646976.db2.gz LBCZQNQVGAXVND-ONGXEEELSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnc(C)n1 ZINC000350242706 355654340 /nfs/dbraw/zinc/65/43/40/355654340.db2.gz UQTNLTOFSZZTAF-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccnc(C)n1 ZINC000350242706 355654343 /nfs/dbraw/zinc/65/43/43/355654343.db2.gz UQTNLTOFSZZTAF-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000336392803 181203138 /nfs/dbraw/zinc/20/31/38/181203138.db2.gz FTOISDUOYDBECS-QMMMGPOBSA-N 1 2 228.683 1.319 20 0 BDADLO NC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000336392803 181203139 /nfs/dbraw/zinc/20/31/39/181203139.db2.gz FTOISDUOYDBECS-QMMMGPOBSA-N 1 2 228.683 1.319 20 0 BDADLO O[C@@H]1CC[N@H+](CCC[C@H]2CCO2)CC1(F)F ZINC000639310143 355666295 /nfs/dbraw/zinc/66/62/95/355666295.db2.gz OIUPCMVIYIXEIW-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC[C@H]2CCO2)CC1(F)F ZINC000639310143 355666299 /nfs/dbraw/zinc/66/62/99/355666299.db2.gz OIUPCMVIYIXEIW-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO CCO[C@@H](CC(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000350157957 355617705 /nfs/dbraw/zinc/61/77/05/355617705.db2.gz SYQZGCWCNQDQQL-NSHDSACASA-N 1 2 239.319 1.477 20 0 BDADLO CCO[C@@H](CC(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000350157957 355617710 /nfs/dbraw/zinc/61/77/10/355617710.db2.gz SYQZGCWCNQDQQL-NSHDSACASA-N 1 2 239.319 1.477 20 0 BDADLO C[C@H](CNC(=O)C1(C)CC1)Cn1cc[nH+]c1 ZINC000350181885 355621035 /nfs/dbraw/zinc/62/10/35/355621035.db2.gz UAUOPNZYRVOVGI-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO C[N@H+](Cc1cscn1)Cc1ncccc1O ZINC000583591475 355704027 /nfs/dbraw/zinc/70/40/27/355704027.db2.gz RNPIFOGLESNTJB-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cscn1)Cc1ncccc1O ZINC000583591475 355704031 /nfs/dbraw/zinc/70/40/31/355704031.db2.gz RNPIFOGLESNTJB-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO COc1cc(CNCc2c[nH+]c3n2CCC3)on1 ZINC000639323573 355717452 /nfs/dbraw/zinc/71/74/52/355717452.db2.gz DSKAVQIETHKRNO-UHFFFAOYSA-N 1 2 248.286 1.116 20 0 BDADLO COc1cc(C[NH2+]Cc2cccc(O)c2)on1 ZINC000639324180 355718020 /nfs/dbraw/zinc/71/80/20/355718020.db2.gz FHMADLASTPXUIN-UHFFFAOYSA-N 1 2 234.255 1.679 20 0 BDADLO COc1cc(C[NH2+]Cc2conc2C)on1 ZINC000639324073 355718091 /nfs/dbraw/zinc/71/80/91/355718091.db2.gz IPMQVWQGFXKVFS-UHFFFAOYSA-N 1 2 223.232 1.269 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N3CCCO3)cc2n1C ZINC000335885022 355676037 /nfs/dbraw/zinc/67/60/37/355676037.db2.gz ZIMPJDLJXYXCGD-UHFFFAOYSA-N 1 2 245.282 1.659 20 0 BDADLO Cc1ccc(C[S@@](=O)[C@H]2CCOC2)c(C)[nH+]1 ZINC000335890830 355678206 /nfs/dbraw/zinc/67/82/06/355678206.db2.gz SGESKZPBVJNURY-BLLLJJGKSA-N 1 2 239.340 1.736 20 0 BDADLO c1nc2n(n1)CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000335889679 355681699 /nfs/dbraw/zinc/68/16/99/355681699.db2.gz XQVLKUXOKJHPOG-JTQLQIEISA-N 1 2 204.277 1.202 20 0 BDADLO c1nc2n(n1)CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000335889679 355681703 /nfs/dbraw/zinc/68/17/03/355681703.db2.gz XQVLKUXOKJHPOG-JTQLQIEISA-N 1 2 204.277 1.202 20 0 BDADLO C[NH+](C)CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000335893430 355687022 /nfs/dbraw/zinc/68/70/22/355687022.db2.gz PACXHIXSEIKGRB-UHFFFAOYSA-N 1 2 236.250 1.202 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1conc1CC ZINC000350661493 355739098 /nfs/dbraw/zinc/73/90/98/355739098.db2.gz QJNFMIFZGQMXFZ-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1conc1CC ZINC000350661493 355739101 /nfs/dbraw/zinc/73/91/01/355739101.db2.gz QJNFMIFZGQMXFZ-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1noc(C)n1)OC ZINC000639332042 355758512 /nfs/dbraw/zinc/75/85/12/355758512.db2.gz FIOSYLQASDZAPA-MWLCHTKSSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1noc(C)n1)OC ZINC000639332042 355758516 /nfs/dbraw/zinc/75/85/16/355758516.db2.gz FIOSYLQASDZAPA-MWLCHTKSSA-N 1 2 241.335 1.871 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000639332291 355758879 /nfs/dbraw/zinc/75/88/79/355758879.db2.gz JIDCGSHIXQURAA-UHFFFAOYSA-N 1 2 243.257 1.197 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000639332291 355758882 /nfs/dbraw/zinc/75/88/82/355758882.db2.gz JIDCGSHIXQURAA-UHFFFAOYSA-N 1 2 243.257 1.197 20 0 BDADLO Fc1cncc(C[N@@H+]2CCn3cncc3C2)c1 ZINC000336012387 134051579 /nfs/dbraw/zinc/05/15/79/134051579.db2.gz XMOKULGSKXPZSH-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cncc(C[N@H+]2CCn3cncc3C2)c1 ZINC000336012387 134051580 /nfs/dbraw/zinc/05/15/80/134051580.db2.gz XMOKULGSKXPZSH-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO CN1CC[N@H+](C/C=C/c2ccccc2)[C@@H](CO)C1 ZINC000639336426 355770829 /nfs/dbraw/zinc/77/08/29/355770829.db2.gz IUJUHVHGKSFOAK-SBJJXXPASA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C/c2ccccc2)[C@@H](CO)C1 ZINC000639336426 355770832 /nfs/dbraw/zinc/77/08/32/355770832.db2.gz IUJUHVHGKSFOAK-SBJJXXPASA-N 1 2 246.354 1.308 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000639322349 355723930 /nfs/dbraw/zinc/72/39/30/355723930.db2.gz SCIBPDACQUFKIT-ZYHUDNBSSA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000639322349 355723932 /nfs/dbraw/zinc/72/39/32/355723932.db2.gz SCIBPDACQUFKIT-ZYHUDNBSSA-N 1 2 240.351 1.308 20 0 BDADLO CC1(C[N@@H+]2CCOC[C@@H]2c2ccco2)COC1 ZINC000608497795 355825136 /nfs/dbraw/zinc/82/51/36/355825136.db2.gz CBVXKBDJOOTDHT-LLVKDONJSA-N 1 2 237.299 1.689 20 0 BDADLO CC1(C[N@H+]2CCOC[C@@H]2c2ccco2)COC1 ZINC000608497795 355825137 /nfs/dbraw/zinc/82/51/37/355825137.db2.gz CBVXKBDJOOTDHT-LLVKDONJSA-N 1 2 237.299 1.689 20 0 BDADLO CCc1cnc(C[NH+](CCOC)CCOC)o1 ZINC000608491646 355814389 /nfs/dbraw/zinc/81/43/89/355814389.db2.gz YIKCVFBRZWNYSJ-UHFFFAOYSA-N 1 2 242.319 1.332 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@H]2CCCOC2)c1 ZINC000639366053 355841490 /nfs/dbraw/zinc/84/14/90/355841490.db2.gz TYWBDCYTTMAJRL-JTQLQIEISA-N 1 2 221.304 1.739 20 0 BDADLO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cn[nH]n1 ZINC000628363664 355848523 /nfs/dbraw/zinc/84/85/23/355848523.db2.gz SQTNEOYULXQTFQ-SECBINFHSA-N 1 2 226.324 1.346 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCC12CC2 ZINC000623254339 355852849 /nfs/dbraw/zinc/85/28/49/355852849.db2.gz ZDCKTCFXONMUAT-PWSUYJOCSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1ccoc1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254502 355855243 /nfs/dbraw/zinc/85/52/43/355855243.db2.gz DZNMDFKGQFRXBB-SNVBAGLBSA-N 1 2 245.282 1.068 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255659 355861201 /nfs/dbraw/zinc/86/12/01/355861201.db2.gz OIERJTDDKMXWFA-NQBHXWOUSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1CCN(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000632755383 355830935 /nfs/dbraw/zinc/83/09/35/355830935.db2.gz CJFOMMBWJPJFQJ-VIFPVBQESA-N 1 2 222.292 1.303 20 0 BDADLO C[C@@H]1CCN(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000632755382 355831125 /nfs/dbraw/zinc/83/11/25/355831125.db2.gz CJFOMMBWJPJFQJ-SECBINFHSA-N 1 2 222.292 1.303 20 0 BDADLO Cn1ncnc1C[NH+]1CCC(CCF)CC1 ZINC000639376593 355902334 /nfs/dbraw/zinc/90/23/34/355902334.db2.gz QHMMNHQXSPGGNV-UHFFFAOYSA-N 1 2 226.299 1.387 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2ccn(C)n2)C1 ZINC000639378686 355914160 /nfs/dbraw/zinc/91/41/60/355914160.db2.gz CDKOQUKAZHDPPZ-UHFFFAOYSA-N 1 2 235.331 1.279 20 0 BDADLO CC1([NH2+]Cc2cnc3ccccc3n2)COC1 ZINC000639381478 355917811 /nfs/dbraw/zinc/91/78/11/355917811.db2.gz VSMRUBNKKQHDPH-UHFFFAOYSA-N 1 2 229.283 1.508 20 0 BDADLO CCn1c(C[NH2+]C2(C)COC2)nc2ccccc21 ZINC000639382202 355927374 /nfs/dbraw/zinc/92/73/74/355927374.db2.gz OJEYJMLXMFXMPW-UHFFFAOYSA-N 1 2 245.326 1.935 20 0 BDADLO CC1([NH2+]Cc2cc(F)ccc2F)COC1 ZINC000639382431 355928893 /nfs/dbraw/zinc/92/88/93/355928893.db2.gz PQCJYDVWZTYOKD-UHFFFAOYSA-N 1 2 213.227 1.843 20 0 BDADLO CN(Cc1cccn1C)C(=O)CCn1cc[nH+]c1 ZINC000351051723 355941699 /nfs/dbraw/zinc/94/16/99/355941699.db2.gz GDFDAQQFECUJFR-UHFFFAOYSA-N 1 2 246.314 1.270 20 0 BDADLO C[C@@H]([NH2+]Cc1nnsc1Cl)[C@H](C)CO ZINC000389215507 355885026 /nfs/dbraw/zinc/88/50/26/355885026.db2.gz KGLRUOZOBZALEP-PHDIDXHHSA-N 1 2 235.740 1.298 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCCCOC)C1 ZINC000425520759 191899893 /nfs/dbraw/zinc/89/98/93/191899893.db2.gz RPNPYGANWMFJHP-UHFFFAOYSA-N 1 2 228.336 1.315 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCCCOC)C1 ZINC000425520759 191899895 /nfs/dbraw/zinc/89/98/95/191899895.db2.gz RPNPYGANWMFJHP-UHFFFAOYSA-N 1 2 228.336 1.315 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(C)(F)CC1 ZINC000639388512 356006992 /nfs/dbraw/zinc/00/69/92/356006992.db2.gz FNXRLFRAZUOJBX-UHFFFAOYSA-N 1 2 226.299 1.622 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)C[C@@H]2CCCOC2)no1 ZINC000351487291 355998568 /nfs/dbraw/zinc/99/85/68/355998568.db2.gz CDNGAMHRRPWXPC-KOLCDFICSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@@H]2CCCOC2)no1 ZINC000351487291 355998571 /nfs/dbraw/zinc/99/85/71/355998571.db2.gz CDNGAMHRRPWXPC-KOLCDFICSA-N 1 2 239.319 1.797 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623256995 356002981 /nfs/dbraw/zinc/00/29/81/356002981.db2.gz UYRBHVGILGJZHZ-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC000583635517 355942500 /nfs/dbraw/zinc/94/25/00/355942500.db2.gz KWVOYWAGQLBGRN-MXWKQRLJSA-N 1 2 221.304 1.749 20 0 BDADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000351151347 355955148 /nfs/dbraw/zinc/95/51/48/355955148.db2.gz XIXAPVHCMABWBX-CMPLNLGQSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000351151347 355955150 /nfs/dbraw/zinc/95/51/50/355955150.db2.gz XIXAPVHCMABWBX-CMPLNLGQSA-N 1 2 240.347 1.010 20 0 BDADLO CNC(=O)CC1CC[NH+](Cc2cocn2)CC1 ZINC000351269243 355970132 /nfs/dbraw/zinc/97/01/32/355970132.db2.gz LTFNGQASUVANQL-UHFFFAOYSA-N 1 2 237.303 1.023 20 0 BDADLO C[C@H]1C[N@H+](CCCO)C[C@H](C(F)(F)F)O1 ZINC000608749470 355971869 /nfs/dbraw/zinc/97/18/69/355971869.db2.gz JDEYOKAGIUKXKU-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](CCCO)C[C@H](C(F)(F)F)O1 ZINC000608749470 355971873 /nfs/dbraw/zinc/97/18/73/355971873.db2.gz JDEYOKAGIUKXKU-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000351628993 356035105 /nfs/dbraw/zinc/03/51/05/356035105.db2.gz OCLLQUQKDUFQOA-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1ncccc1C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000351628993 356035109 /nfs/dbraw/zinc/03/51/09/356035109.db2.gz OCLLQUQKDUFQOA-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623258010 356051903 /nfs/dbraw/zinc/05/19/03/356051903.db2.gz CWRWWWROAHVLAA-CKYFFXLPSA-N 1 2 233.315 1.360 20 0 BDADLO CC1(F)CC[NH+](Cc2csnn2)CC1 ZINC000639389185 356011827 /nfs/dbraw/zinc/01/18/27/356011827.db2.gz SNKROBKEJKGIFH-UHFFFAOYSA-N 1 2 215.297 1.862 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)no1 ZINC000351583287 356020692 /nfs/dbraw/zinc/02/06/92/356020692.db2.gz SXUCRGPHNRLTJX-WEDXCCLWSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)no1 ZINC000351583287 356020697 /nfs/dbraw/zinc/02/06/97/356020697.db2.gz SXUCRGPHNRLTJX-WEDXCCLWSA-N 1 2 225.292 1.142 20 0 BDADLO CCCC[N@H+](CCCO)[C@@H](C)c1noc(C)n1 ZINC000351593378 356025273 /nfs/dbraw/zinc/02/52/73/356025273.db2.gz NCEITUIYGMFKAO-JTQLQIEISA-N 1 2 241.335 1.924 20 0 BDADLO CCCC[N@@H+](CCCO)[C@@H](C)c1noc(C)n1 ZINC000351593378 356025278 /nfs/dbraw/zinc/02/52/78/356025278.db2.gz NCEITUIYGMFKAO-JTQLQIEISA-N 1 2 241.335 1.924 20 0 BDADLO CC(C)(C)C(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257479 356026251 /nfs/dbraw/zinc/02/62/51/356026251.db2.gz KXDZHSCUYKLAFL-JTQLQIEISA-N 1 2 249.358 1.996 20 0 BDADLO CC1(C)CC(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623257691 356027203 /nfs/dbraw/zinc/02/72/03/356027203.db2.gz RJSNVTMBRPZLLB-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO CCOCC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623257634 356027285 /nfs/dbraw/zinc/02/72/85/356027285.db2.gz PYUIRKNUZQOXGC-UHFFFAOYSA-N 1 2 248.326 1.502 20 0 BDADLO CCOCC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623257634 356027287 /nfs/dbraw/zinc/02/72/87/356027287.db2.gz PYUIRKNUZQOXGC-UHFFFAOYSA-N 1 2 248.326 1.502 20 0 BDADLO NC(=O)C[C@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000339532907 181244508 /nfs/dbraw/zinc/24/45/08/181244508.db2.gz XQMCJNLSZKOPMQ-LBPRGKRZSA-N 1 2 245.282 1.381 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CC(C)(C)C1 ZINC000639393576 356080313 /nfs/dbraw/zinc/08/03/13/356080313.db2.gz NUPRLAFDAAUHDX-UHFFFAOYSA-N 1 2 208.309 1.701 20 0 BDADLO C[C@H]1C[NH+](Cc2cccnc2)C[C@H](C)S1=O ZINC000336089747 134077741 /nfs/dbraw/zinc/07/77/41/134077741.db2.gz SLVKAHGWIHENJG-QWRGUYRKSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccno1 ZINC000336096389 134080408 /nfs/dbraw/zinc/08/04/08/134080408.db2.gz WZTJBUWWUPWDBV-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccno1 ZINC000336096389 134080409 /nfs/dbraw/zinc/08/04/09/134080409.db2.gz WZTJBUWWUPWDBV-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261245 356143983 /nfs/dbraw/zinc/14/39/83/356143983.db2.gz HVNIVQDSHLGGEO-ZMLRMANQSA-N 1 2 233.315 1.216 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261299 356144982 /nfs/dbraw/zinc/14/49/82/356144982.db2.gz KEMDJWJWYTXRFK-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO CC[NH+]1CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000639437529 356216403 /nfs/dbraw/zinc/21/64/03/356216403.db2.gz HXFIJFXIOSCVQL-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO CCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264019 356228403 /nfs/dbraw/zinc/22/84/03/356228403.db2.gz CUHMYPJSSTXYLC-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)o1 ZINC000623264867 356230263 /nfs/dbraw/zinc/23/02/63/356230263.db2.gz VZMXMHBPOIDGQC-JTQLQIEISA-N 1 2 245.282 1.448 20 0 BDADLO O=C(CCc1ccoc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265020 356231056 /nfs/dbraw/zinc/23/10/56/356231056.db2.gz ZAILXNUDWCUNLV-NSHDSACASA-N 1 2 245.282 1.150 20 0 BDADLO CCC[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623263506 356201468 /nfs/dbraw/zinc/20/14/68/356201468.db2.gz OXMFIGAEKMLXSD-WCQYABFASA-N 1 2 249.358 1.996 20 0 BDADLO CC1=C(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000623263722 356201929 /nfs/dbraw/zinc/20/19/29/356201929.db2.gz VQJLDBCILDVHKS-SNVBAGLBSA-N 1 2 231.299 1.424 20 0 BDADLO Cc1ccc(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)o1 ZINC000623263603 356202358 /nfs/dbraw/zinc/20/23/58/356202358.db2.gz RMYAFQPFXACEQH-JTQLQIEISA-N 1 2 245.282 1.068 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCNC(=O)[C@H]2C)c(C)n1 ZINC000639471094 356259974 /nfs/dbraw/zinc/25/99/74/356259974.db2.gz AORQYIDJDRWODM-GFCCVEGCSA-N 1 2 247.342 1.327 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCNC(=O)[C@H]2C)c(C)n1 ZINC000639471094 356259977 /nfs/dbraw/zinc/25/99/77/356259977.db2.gz AORQYIDJDRWODM-GFCCVEGCSA-N 1 2 247.342 1.327 20 0 BDADLO Cc1cc(C)c(CN2CCNC(=O)[C@H]2C)c(C)[nH+]1 ZINC000639471094 356259979 /nfs/dbraw/zinc/25/99/79/356259979.db2.gz AORQYIDJDRWODM-GFCCVEGCSA-N 1 2 247.342 1.327 20 0 BDADLO CC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000639459130 356246594 /nfs/dbraw/zinc/24/65/94/356246594.db2.gz GIRFTHXIUINKLG-UHFFFAOYSA-N 1 2 223.276 1.146 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265331 356292927 /nfs/dbraw/zinc/29/29/27/356292927.db2.gz CMAKJRMNMRHXCA-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617738632 356303842 /nfs/dbraw/zinc/30/38/42/356303842.db2.gz RINJSVNBLUTDGX-TUAOUCFPSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617738632 356303845 /nfs/dbraw/zinc/30/38/45/356303845.db2.gz RINJSVNBLUTDGX-TUAOUCFPSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623266290 356304408 /nfs/dbraw/zinc/30/44/08/356304408.db2.gz XJGWKHHSGVFPIX-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@H](O)[C@@H](C)C2)c(C)[nH+]1 ZINC000352181772 134093853 /nfs/dbraw/zinc/09/38/53/134093853.db2.gz IDHKHUHTMCAVMD-UFBFGSQYSA-N 1 2 249.314 1.543 20 0 BDADLO CCCCS(=O)(=O)N1CC[NH+](CC)C[C@H]1C ZINC000352602874 356388810 /nfs/dbraw/zinc/38/88/10/356388810.db2.gz DHXAZSQORABZQA-LLVKDONJSA-N 1 2 248.392 1.142 20 0 BDADLO CS[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000609620001 356391569 /nfs/dbraw/zinc/39/15/69/356391569.db2.gz VBUACJVRTIEBQX-QMMMGPOBSA-N 1 2 225.317 1.018 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cnc[nH]1 ZINC000362618611 181274514 /nfs/dbraw/zinc/27/45/14/181274514.db2.gz ZBPLLEJNSUUFCW-DLOVCJGASA-N 1 2 248.330 1.028 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cnc[nH]1 ZINC000362618611 181274515 /nfs/dbraw/zinc/27/45/15/181274515.db2.gz ZBPLLEJNSUUFCW-DLOVCJGASA-N 1 2 248.330 1.028 20 0 BDADLO CC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000639547974 356411618 /nfs/dbraw/zinc/41/16/18/356411618.db2.gz ONHHIOWBEVAPOH-UHFFFAOYSA-N 1 2 207.195 1.770 20 0 BDADLO CC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000639547974 356411621 /nfs/dbraw/zinc/41/16/21/356411621.db2.gz ONHHIOWBEVAPOH-UHFFFAOYSA-N 1 2 207.195 1.770 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000639554972 356460143 /nfs/dbraw/zinc/46/01/43/356460143.db2.gz MIWLXDBVLBAWSP-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000639554972 356460145 /nfs/dbraw/zinc/46/01/45/356460145.db2.gz MIWLXDBVLBAWSP-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639558491 356463601 /nfs/dbraw/zinc/46/36/01/356463601.db2.gz DQGFNNXZBUMMAL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639558491 356463606 /nfs/dbraw/zinc/46/36/06/356463606.db2.gz DQGFNNXZBUMMAL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO C[C@H]1C[C@@H](CO)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000420623148 192247409 /nfs/dbraw/zinc/24/74/09/192247409.db2.gz JKFYFRQOMNXDCL-WDEREUQCSA-N 1 2 247.342 1.809 20 0 BDADLO CC(C)c1nc(NCC2(CC(N)=O)CC2)cc[nH+]1 ZINC000420607134 192248410 /nfs/dbraw/zinc/24/84/10/192248410.db2.gz CLYJLNFMGSOJTM-UHFFFAOYSA-N 1 2 248.330 1.089 20 0 BDADLO CC(=O)N[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000420618788 192249203 /nfs/dbraw/zinc/24/92/03/192249203.db2.gz DRZMPGFOZOAUCL-NSHDSACASA-N 1 2 248.330 1.315 20 0 BDADLO C[NH+](C)C1CCC(N=c2[nH]ncs2)CC1 ZINC000420623621 192250549 /nfs/dbraw/zinc/25/05/49/192250549.db2.gz HXYZJGJUVMXBAE-UHFFFAOYSA-N 1 2 226.349 1.245 20 0 BDADLO CCCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336162429 134111692 /nfs/dbraw/zinc/11/16/92/134111692.db2.gz WQJCQFUDIOEWOI-VIFPVBQESA-N 1 2 243.332 1.286 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639559465 356466813 /nfs/dbraw/zinc/46/68/13/356466813.db2.gz QFGGPOYDJONVSU-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639559465 356466818 /nfs/dbraw/zinc/46/68/18/356466818.db2.gz QFGGPOYDJONVSU-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CON1CCC(Nc2cccc[nH+]2)CC1 ZINC000420642492 192253436 /nfs/dbraw/zinc/25/34/36/192253436.db2.gz OSNFLNQAGGTYHC-UHFFFAOYSA-N 1 2 207.277 1.519 20 0 BDADLO CCCN1C[C@@H](CNc2cccc[nH+]2)CC1=O ZINC000420650474 192255499 /nfs/dbraw/zinc/25/54/99/192255499.db2.gz HYBUZVMKAQFIER-LLVKDONJSA-N 1 2 233.315 1.752 20 0 BDADLO CC[C@@H](C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000420656372 192256125 /nfs/dbraw/zinc/25/61/25/192256125.db2.gz UOWKCLMWYPDIJU-SECBINFHSA-N 1 2 246.318 1.703 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000639595520 356514396 /nfs/dbraw/zinc/51/43/96/356514396.db2.gz JQZVVVUWULNIAW-SECBINFHSA-N 1 2 230.262 1.570 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000639595520 356514401 /nfs/dbraw/zinc/51/44/01/356514401.db2.gz JQZVVVUWULNIAW-SECBINFHSA-N 1 2 230.262 1.570 20 0 BDADLO CC(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000639570065 356494277 /nfs/dbraw/zinc/49/42/77/356494277.db2.gz LOIFXJDOPDQBKD-SNVBAGLBSA-N 1 2 237.303 1.823 20 0 BDADLO CCc1nc([C@@H](C)[NH2+]CC(C)=O)cs1 ZINC000639579473 356500115 /nfs/dbraw/zinc/50/01/15/356500115.db2.gz DJGMOLKNQYISLH-MRVPVSSYSA-N 1 2 212.318 1.945 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H](CC)O1 ZINC000420947310 192276458 /nfs/dbraw/zinc/27/64/58/192276458.db2.gz CPNILLVLVQGLAL-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2C)C[C@H](CC)O1 ZINC000420947310 192276460 /nfs/dbraw/zinc/27/64/60/192276460.db2.gz CPNILLVLVQGLAL-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](CC)O1 ZINC000420947310 192276462 /nfs/dbraw/zinc/27/64/62/192276462.db2.gz CPNILLVLVQGLAL-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420955149 192277559 /nfs/dbraw/zinc/27/75/59/192277559.db2.gz VWLWSHNPCVDYLM-TXEJJXNPSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420955149 192277560 /nfs/dbraw/zinc/27/75/60/192277560.db2.gz VWLWSHNPCVDYLM-TXEJJXNPSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420951005 192277812 /nfs/dbraw/zinc/27/78/12/192277812.db2.gz GVELJEYYFGSTIC-GRYCIOLGSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420951005 192277815 /nfs/dbraw/zinc/27/78/15/192277815.db2.gz GVELJEYYFGSTIC-GRYCIOLGSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@H]1C[NH+](Cc2cc[nH]n2)C[C@H](CC)O1 ZINC000420954586 192278619 /nfs/dbraw/zinc/27/86/19/192278619.db2.gz KEQJEGRNNAYKFX-RYUDHWBXSA-N 1 2 223.320 1.799 20 0 BDADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000420956193 192279240 /nfs/dbraw/zinc/27/92/40/192279240.db2.gz XXIFGNXRRCGVIE-QMMMGPOBSA-N 1 2 248.252 1.969 20 0 BDADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000420956193 192279242 /nfs/dbraw/zinc/27/92/42/192279242.db2.gz XXIFGNXRRCGVIE-QMMMGPOBSA-N 1 2 248.252 1.969 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000639606778 356526780 /nfs/dbraw/zinc/52/67/80/356526780.db2.gz OOHCFLUFNOWEHJ-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000639606778 356526783 /nfs/dbraw/zinc/52/67/83/356526783.db2.gz OOHCFLUFNOWEHJ-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO CCN1CN(Cc2c(C)cc(C)[nH+]c2C)CC1=O ZINC000639611022 356529283 /nfs/dbraw/zinc/52/92/83/356529283.db2.gz OLKKUDQFRJUTLY-UHFFFAOYSA-N 1 2 247.342 1.628 20 0 BDADLO CC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000639624125 356543522 /nfs/dbraw/zinc/54/35/22/356543522.db2.gz PDEYLMCOZUVYMM-AGIUHOORSA-N 1 2 241.331 1.234 20 0 BDADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000639624125 356543526 /nfs/dbraw/zinc/54/35/26/356543526.db2.gz PDEYLMCOZUVYMM-AGIUHOORSA-N 1 2 241.331 1.234 20 0 BDADLO CC[C@H]1C[NH+](CC(=O)NC(C)C)C[C@H](CC)O1 ZINC000420943218 192288431 /nfs/dbraw/zinc/28/84/31/192288431.db2.gz HZPWBBJRVNUBRX-RYUDHWBXSA-N 1 2 242.363 1.400 20 0 BDADLO CC(C)Cc1noc(Cc2c[nH+]cn2C)n1 ZINC000350393783 366276441 /nfs/dbraw/zinc/27/64/41/366276441.db2.gz CWVGLEQNMBCVLW-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296810 356546922 /nfs/dbraw/zinc/54/69/22/356546922.db2.gz QOWZLCNHVLZEHY-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000639641105 356549007 /nfs/dbraw/zinc/54/90/07/356549007.db2.gz HLZODIZVJFENFX-DTWKUNHWSA-N 1 2 239.237 1.068 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000639641105 356549009 /nfs/dbraw/zinc/54/90/09/356549009.db2.gz HLZODIZVJFENFX-DTWKUNHWSA-N 1 2 239.237 1.068 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn3ccccc23)[C@@H]1C ZINC000179678474 366284599 /nfs/dbraw/zinc/28/45/99/366284599.db2.gz YLACTXRNGCEXDL-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn3ccccc23)[C@@H]1C ZINC000179678474 366284603 /nfs/dbraw/zinc/28/46/03/366284603.db2.gz YLACTXRNGCEXDL-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO O=C(C[N@@H+]1CC[C@]12CCOC2)Nc1ccccc1 ZINC000421011392 192300894 /nfs/dbraw/zinc/30/08/94/192300894.db2.gz DMDGYMKZMYJKQU-CQSZACIVSA-N 1 2 246.310 1.490 20 0 BDADLO O=C(C[N@H+]1CC[C@]12CCOC2)Nc1ccccc1 ZINC000421011392 192300896 /nfs/dbraw/zinc/30/08/96/192300896.db2.gz DMDGYMKZMYJKQU-CQSZACIVSA-N 1 2 246.310 1.490 20 0 BDADLO O=C(CC1CCCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297640 356550582 /nfs/dbraw/zinc/55/05/82/356550582.db2.gz JOSNAYOOHFMDHE-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623298961 356555284 /nfs/dbraw/zinc/55/52/84/356555284.db2.gz MVBLIBKUICWZGP-CKYFFXLPSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)nn1 ZINC000421021920 192306744 /nfs/dbraw/zinc/30/67/44/192306744.db2.gz OSIRQKNTWRAFFQ-ZYHUDNBSSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)nn1 ZINC000421021920 192306746 /nfs/dbraw/zinc/30/67/46/192306746.db2.gz OSIRQKNTWRAFFQ-ZYHUDNBSSA-N 1 2 238.335 1.204 20 0 BDADLO CCc1cccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000449838706 202045048 /nfs/dbraw/zinc/04/50/48/202045048.db2.gz HUXWHOQDVHZSNY-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299771 356559444 /nfs/dbraw/zinc/55/94/44/356559444.db2.gz CPJACCHFZZXSTO-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000449854673 202046018 /nfs/dbraw/zinc/04/60/18/202046018.db2.gz YHRHTUDKHFPLKE-NXEZZACHSA-N 1 2 234.299 1.830 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299770 356559879 /nfs/dbraw/zinc/55/98/79/356559879.db2.gz CPJACCHFZZXSTO-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO COc1cc(C)nc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421031366 192310103 /nfs/dbraw/zinc/31/01/03/192310103.db2.gz ZUOYPQJASTVFCR-CQSZACIVSA-N 1 2 248.326 1.763 20 0 BDADLO COc1cc(C)nc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421031366 192310105 /nfs/dbraw/zinc/31/01/05/192310105.db2.gz ZUOYPQJASTVFCR-CQSZACIVSA-N 1 2 248.326 1.763 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[C@@H]1C1CC1 ZINC000623300308 356561870 /nfs/dbraw/zinc/56/18/70/356561870.db2.gz OETAULZHZFFIFW-RTXFEEFZSA-N 1 2 245.326 1.360 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299721 356566122 /nfs/dbraw/zinc/56/61/22/356566122.db2.gz BKIYDSFSOIZTCZ-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CC(=O)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000639658847 356567585 /nfs/dbraw/zinc/56/75/85/356567585.db2.gz KNNXIXXHCIINRU-GFCCVEGCSA-N 1 2 241.718 1.894 20 0 BDADLO CC(=O)C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000639658847 356567590 /nfs/dbraw/zinc/56/75/90/356567590.db2.gz KNNXIXXHCIINRU-GFCCVEGCSA-N 1 2 241.718 1.894 20 0 BDADLO CO[C@@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1(C)C ZINC000336209364 134133875 /nfs/dbraw/zinc/13/38/75/134133875.db2.gz WEHFHJWIQSCNDI-VHSXEESVSA-N 1 2 237.303 1.261 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303418 356593700 /nfs/dbraw/zinc/59/37/00/356593700.db2.gz BWZHIFLWHYVWOJ-KGYLQXTDSA-N 1 2 247.342 1.606 20 0 BDADLO COc1cccc2c1C[N@H+](CC(C)=O)CC2 ZINC000639662135 356575808 /nfs/dbraw/zinc/57/58/08/356575808.db2.gz AWMCYGQBBCQJGV-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO COc1cccc2c1C[N@@H+](CC(C)=O)CC2 ZINC000639662135 356575810 /nfs/dbraw/zinc/57/58/10/356575810.db2.gz AWMCYGQBBCQJGV-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1cccnc1 ZINC000639686986 356596682 /nfs/dbraw/zinc/59/66/82/356596682.db2.gz AEOXUBWRYRJIMU-IJLUTSLNSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1cccnc1 ZINC000639686986 356596684 /nfs/dbraw/zinc/59/66/84/356596684.db2.gz AEOXUBWRYRJIMU-IJLUTSLNSA-N 1 2 247.342 1.521 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cscn1 ZINC000623304717 356598330 /nfs/dbraw/zinc/59/83/30/356598330.db2.gz DBAQVQLCUKHMEV-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623305240 356599418 /nfs/dbraw/zinc/59/94/18/356599418.db2.gz OFBITSVOWOJJLC-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO CC1=C(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623308205 356615956 /nfs/dbraw/zinc/61/59/56/356615956.db2.gz WPKDHQRHSNITOU-LLVKDONJSA-N 1 2 245.326 1.815 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000623308709 356618061 /nfs/dbraw/zinc/61/80/61/356618061.db2.gz HZQCYLOROBLKTH-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CC[C@H](NC(=O)CCCF)c1[nH]cc[nH+]1 ZINC000613578677 363522040 /nfs/dbraw/zinc/52/20/40/363522040.db2.gz DRGHYULPTYDOMQ-QMMMGPOBSA-N 1 2 213.256 1.727 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2cnn[nH]2)cc1 ZINC000450236714 202103566 /nfs/dbraw/zinc/10/35/66/202103566.db2.gz FDQYEXOTKYHSDY-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2cnn[nH]2)cc1 ZINC000450236714 202103568 /nfs/dbraw/zinc/10/35/68/202103568.db2.gz FDQYEXOTKYHSDY-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1nc(C(=O)NCc2[nH]cc[nH+]2)c(C)o1 ZINC000352945990 356645313 /nfs/dbraw/zinc/64/53/13/356645313.db2.gz LAGWUFUTAJCGRC-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CC(C)(C)[NH+]1CCC(N=c2[nH]ncs2)CC1 ZINC000450265051 202113441 /nfs/dbraw/zinc/11/34/41/202113441.db2.gz HZBMPYPDHFKORJ-UHFFFAOYSA-N 1 2 240.376 1.635 20 0 BDADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)C[C@@H]1CO ZINC000630095260 363547597 /nfs/dbraw/zinc/54/75/97/363547597.db2.gz XBJCTLQVEVYRNF-CMPLNLGQSA-N 1 2 236.315 1.029 20 0 BDADLO CCCN(C)c1nc(NC)c2ccccc2[nH+]1 ZINC000450284178 202119350 /nfs/dbraw/zinc/11/93/50/202119350.db2.gz BRDWNLVEYGNGEX-UHFFFAOYSA-N 1 2 230.315 1.940 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@@H](C)c1csnn1 ZINC000450342013 202133883 /nfs/dbraw/zinc/13/38/83/202133883.db2.gz OZEDBYOKFQQWAN-QMMMGPOBSA-N 1 2 243.332 1.484 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450342013 202133884 /nfs/dbraw/zinc/13/38/84/202133884.db2.gz OZEDBYOKFQQWAN-QMMMGPOBSA-N 1 2 243.332 1.484 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Cc1ccc(F)cc1 ZINC000041527805 358511199 /nfs/dbraw/zinc/51/11/99/358511199.db2.gz AIHSXNFIPYTVHX-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO CC(C)[NH+](CCCN=c1[nH]ncs1)C(C)C ZINC000450366184 202144646 /nfs/dbraw/zinc/14/46/46/202144646.db2.gz RRCZFDOESFMHAT-UHFFFAOYSA-N 1 2 242.392 1.881 20 0 BDADLO OCC1([C@@H]([NH2+]CC(F)F)[C@H]2CCCO2)CCC1 ZINC000639763127 356689177 /nfs/dbraw/zinc/68/91/77/356689177.db2.gz BCHREOUVDRQKHF-KOLCDFICSA-N 1 2 249.301 1.551 20 0 BDADLO CCNC(=O)C[N@H+](CC)C/C=C/Cl ZINC000054115818 363561810 /nfs/dbraw/zinc/56/18/10/363561810.db2.gz BFGLJRDNHKPOTG-AATRIKPKSA-N 1 2 204.701 1.197 20 0 BDADLO CCNC(=O)C[N@@H+](CC)C/C=C/Cl ZINC000054115818 363561813 /nfs/dbraw/zinc/56/18/13/363561813.db2.gz BFGLJRDNHKPOTG-AATRIKPKSA-N 1 2 204.701 1.197 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639778236 356723054 /nfs/dbraw/zinc/72/30/54/356723054.db2.gz QZBDIIVTSVMBNM-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639778236 356723055 /nfs/dbraw/zinc/72/30/55/356723055.db2.gz QZBDIIVTSVMBNM-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO Cc1ccc(NC(=O)NC2(C)COC2)c(C)[nH+]1 ZINC000639794737 356751121 /nfs/dbraw/zinc/75/11/21/356751121.db2.gz DUWBCDHGZNBFID-UHFFFAOYSA-N 1 2 235.287 1.609 20 0 BDADLO Cn1ccc(-c2noc(Cc3c[nH+]cn3C)n2)c1 ZINC000350443567 538652858 /nfs/dbraw/zinc/65/28/58/538652858.db2.gz XHZQFVJEYPQRLE-UHFFFAOYSA-N 1 2 243.270 1.399 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)c1csnn1 ZINC000450493718 202184173 /nfs/dbraw/zinc/18/41/73/202184173.db2.gz FXQFRGCZPJYLHT-ZETCQYMHSA-N 1 2 217.363 1.894 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450493718 202184174 /nfs/dbraw/zinc/18/41/74/202184174.db2.gz FXQFRGCZPJYLHT-ZETCQYMHSA-N 1 2 217.363 1.894 20 0 BDADLO CO[C@@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000639833354 356819210 /nfs/dbraw/zinc/81/92/10/356819210.db2.gz HADVQMPLQSSSQP-ZDUSSCGKSA-N 1 2 237.299 1.370 20 0 BDADLO CO[C@@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000639833354 356819212 /nfs/dbraw/zinc/81/92/12/356819212.db2.gz HADVQMPLQSSSQP-ZDUSSCGKSA-N 1 2 237.299 1.370 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2C)CCO1 ZINC000639836031 356826448 /nfs/dbraw/zinc/82/64/48/356826448.db2.gz DZPZIYNGKQHCEH-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2C)CCO1 ZINC000639836031 356826450 /nfs/dbraw/zinc/82/64/50/356826450.db2.gz DZPZIYNGKQHCEH-ZDUSSCGKSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccnc(C)c2)CCO1 ZINC000639837823 356827744 /nfs/dbraw/zinc/82/77/44/356827744.db2.gz SDUYZYDSQJNMSI-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccnc(C)c2)CCO1 ZINC000639837823 356827748 /nfs/dbraw/zinc/82/77/48/356827748.db2.gz SDUYZYDSQJNMSI-GFCCVEGCSA-N 1 2 222.288 1.195 20 0 BDADLO Cc1cc(NC(=O)[C@]23CCC[C@H]2OCC3)cc[nH+]1 ZINC000631255044 356883397 /nfs/dbraw/zinc/88/33/97/356883397.db2.gz USGJEUOREIVXMT-OCCSQVGLSA-N 1 2 246.310 1.710 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345828 363569426 /nfs/dbraw/zinc/56/94/26/363569426.db2.gz JKTZLBNCIBXLNI-RYUDHWBXSA-N 1 2 240.347 1.156 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639842770 356837626 /nfs/dbraw/zinc/83/76/26/356837626.db2.gz KCGJYTOHVUVBKU-NSHDSACASA-N 1 2 248.330 1.092 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639842770 356837629 /nfs/dbraw/zinc/83/76/29/356837629.db2.gz KCGJYTOHVUVBKU-NSHDSACASA-N 1 2 248.330 1.092 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345828 363569429 /nfs/dbraw/zinc/56/94/29/363569429.db2.gz JKTZLBNCIBXLNI-RYUDHWBXSA-N 1 2 240.347 1.156 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639847279 356843018 /nfs/dbraw/zinc/84/30/18/356843018.db2.gz YNNCDMZLIJLBFD-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639847279 356843021 /nfs/dbraw/zinc/84/30/21/356843021.db2.gz YNNCDMZLIJLBFD-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1cccnc1 ZINC000352123524 538716271 /nfs/dbraw/zinc/71/62/71/538716271.db2.gz VOVJFUYSQBEUEG-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1cccnc1 ZINC000352123524 538716278 /nfs/dbraw/zinc/71/62/78/538716278.db2.gz VOVJFUYSQBEUEG-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CN(Cc1ccncc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000352106851 538717317 /nfs/dbraw/zinc/71/73/17/538717317.db2.gz NMXAFKFDBRRKBK-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CN(Cc1ccncc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000352106851 538717319 /nfs/dbraw/zinc/71/73/19/538717319.db2.gz NMXAFKFDBRRKBK-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC ZINC000385128147 356905863 /nfs/dbraw/zinc/90/58/63/356905863.db2.gz KVKDCPXTLJNNFC-DOLQZWNJSA-N 1 2 215.293 1.094 20 0 BDADLO CC(C)c1nc(NCC[C@@H](C)CCO)cc[nH+]1 ZINC000450559091 202197558 /nfs/dbraw/zinc/19/75/58/202197558.db2.gz FZTKYHSRMTTWKI-LLVKDONJSA-N 1 2 237.347 1.842 20 0 BDADLO CCN(Cc1[nH+]cc(C)n1C)C[C@@H](C)OC ZINC000361019095 356914974 /nfs/dbraw/zinc/91/49/74/356914974.db2.gz WWRPCQRYEOJTEF-LLVKDONJSA-N 1 2 225.336 1.585 20 0 BDADLO CC[N@H+](Cc1cn[nH]c1C)[C@H]1CCOC1 ZINC000361252787 356922563 /nfs/dbraw/zinc/92/25/63/356922563.db2.gz SQEYMUYNSQBCAZ-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CC[N@@H+](Cc1cn[nH]c1C)[C@H]1CCOC1 ZINC000361252787 356922567 /nfs/dbraw/zinc/92/25/67/356922567.db2.gz SQEYMUYNSQBCAZ-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO COc1ncccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353433477 538742661 /nfs/dbraw/zinc/74/26/61/538742661.db2.gz GJIXOPFTQHDZDP-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C3CC3)CC2)[nH]1 ZINC000368335947 356970402 /nfs/dbraw/zinc/97/04/02/356970402.db2.gz JTSBBTGBCSDOKT-UHFFFAOYSA-N 1 2 234.347 1.989 20 0 BDADLO COc1cc(-c2c[nH+]cn2C)ccc1N ZINC000223647430 356985126 /nfs/dbraw/zinc/98/51/26/356985126.db2.gz WVNOQAWBKCVQKD-UHFFFAOYSA-N 1 2 203.245 1.678 20 0 BDADLO CCc1nnc([C@H](C)N[C@@H](C)c2[nH]cc[nH+]2)[nH]1 ZINC000353627141 538752751 /nfs/dbraw/zinc/75/27/51/538752751.db2.gz YUGFTKJJDCUECO-YUMQZZPRSA-N 1 2 234.307 1.502 20 0 BDADLO CC[N@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362954884 356951055 /nfs/dbraw/zinc/95/10/55/356951055.db2.gz NSIFNRRHAAURAE-UHFFFAOYSA-N 1 2 230.262 1.528 20 0 BDADLO CC[N@@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362954884 356951059 /nfs/dbraw/zinc/95/10/59/356951059.db2.gz NSIFNRRHAAURAE-UHFFFAOYSA-N 1 2 230.262 1.528 20 0 BDADLO C[C@H]1[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1(F)F ZINC000582306717 357043910 /nfs/dbraw/zinc/04/39/10/357043910.db2.gz BKHWEHUNQYSCQQ-NKWVEPMBSA-N 1 2 243.257 1.662 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOC(C)C)o1 ZINC000389850335 357053733 /nfs/dbraw/zinc/05/37/33/357053733.db2.gz UJAUXBWZYSNDAG-QMMMGPOBSA-N 1 2 213.281 1.454 20 0 BDADLO CC[C@@H](CCO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582364459 357111592 /nfs/dbraw/zinc/11/15/92/357111592.db2.gz HYNHXZZWIQPRIR-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Cc1cccc(F)c1 ZINC000355260384 538791561 /nfs/dbraw/zinc/79/15/61/538791561.db2.gz YTWWQJRDFMRLCL-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000543748360 325109239 /nfs/dbraw/zinc/10/92/39/325109239.db2.gz HLSSVTPWPHGNTL-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000543748360 325109242 /nfs/dbraw/zinc/10/92/42/325109242.db2.gz HLSSVTPWPHGNTL-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO CCn1cc[nH+]c1CNc1cccnc1[N+](=O)[O-] ZINC000385316195 357152241 /nfs/dbraw/zinc/15/22/41/357152241.db2.gz MWGFJMGUBDKXIB-UHFFFAOYSA-N 1 2 247.258 1.818 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ccno1)c1ccco1 ZINC000390816524 357117399 /nfs/dbraw/zinc/11/73/99/357117399.db2.gz LYKCOIRGAQEHCP-SNVBAGLBSA-N 1 2 222.244 1.481 20 0 BDADLO CCCCc1cc(NCCCCCO)nc[nH+]1 ZINC000631256140 357124288 /nfs/dbraw/zinc/12/42/88/357124288.db2.gz SRPCAPBILMLZKE-UHFFFAOYSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)nn1C ZINC000628409951 357214301 /nfs/dbraw/zinc/21/43/01/357214301.db2.gz CQCRHUATOMHFHI-DTORHVGOSA-N 1 2 225.723 1.834 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)nn1C ZINC000628409951 357214305 /nfs/dbraw/zinc/21/43/05/357214305.db2.gz CQCRHUATOMHFHI-DTORHVGOSA-N 1 2 225.723 1.834 20 0 BDADLO CCc1noc(C)c1C(=O)NCc1c[nH+]cn1C ZINC000356756674 538815747 /nfs/dbraw/zinc/81/57/47/538815747.db2.gz XQPUZZIOCBNBCJ-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO CCc1nc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)no1 ZINC000305235495 357188901 /nfs/dbraw/zinc/18/89/01/357188901.db2.gz NKOSTPOKZZVWMV-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2[C@H](C)CCC[C@H]2CO)no1 ZINC000305235495 357188903 /nfs/dbraw/zinc/18/89/03/357188903.db2.gz NKOSTPOKZZVWMV-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000582464980 357289493 /nfs/dbraw/zinc/28/94/93/357289493.db2.gz DRAIXGWASXAUFM-UHFFFAOYSA-N 1 2 241.247 1.350 20 0 BDADLO Cc1ncccc1C[NH+]1CC2(C1)CCCO2 ZINC000628427151 357255930 /nfs/dbraw/zinc/25/59/30/357255930.db2.gz IXZPROCUPDZPRK-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO COc1ccc(C[NH+]2CC3(C2)CCCO3)cc1O ZINC000628426814 357256009 /nfs/dbraw/zinc/25/60/09/357256009.db2.gz NKDBPUZMWOAJLV-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO CCn1c[nH+]cc1CN1CC2(C1)CCCO2 ZINC000628427555 357258002 /nfs/dbraw/zinc/25/80/02/357258002.db2.gz JSGTZHHFYCABKT-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO CCn1ccnc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583698698 357272729 /nfs/dbraw/zinc/27/27/29/357272729.db2.gz LVHPUJYAEPRFEY-SNVBAGLBSA-N 1 2 247.302 1.689 20 0 BDADLO COCCn1cc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000583698819 357272756 /nfs/dbraw/zinc/27/27/56/357272756.db2.gz QACIIABVGZDCDY-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO COCCn1cc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000583698819 357272758 /nfs/dbraw/zinc/27/27/58/357272758.db2.gz QACIIABVGZDCDY-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)C(F)F)cc[nH+]1 ZINC000639901574 357311268 /nfs/dbraw/zinc/31/12/68/357311268.db2.gz YCGSJQYIIPQTDU-ZETCQYMHSA-N 1 2 229.230 1.587 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC1 ZINC000584359099 357329033 /nfs/dbraw/zinc/32/90/33/357329033.db2.gz QNVBACLQGKIRQI-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC1 ZINC000584359099 357329037 /nfs/dbraw/zinc/32/90/37/357329037.db2.gz QNVBACLQGKIRQI-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO F[C@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000582551612 357333728 /nfs/dbraw/zinc/33/37/28/357333728.db2.gz KEAXGGPKGPTLGF-JTQLQIEISA-N 1 2 234.278 1.663 20 0 BDADLO F[C@H]1CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000582551612 357333733 /nfs/dbraw/zinc/33/37/33/357333733.db2.gz KEAXGGPKGPTLGF-JTQLQIEISA-N 1 2 234.278 1.663 20 0 BDADLO Cc1nn(C)c(C)c1CNc1nc(C)[nH+]cc1C ZINC000582635690 357355800 /nfs/dbraw/zinc/35/58/00/357355800.db2.gz DAHBBNLOOZXZSY-UHFFFAOYSA-N 1 2 245.330 1.478 20 0 BDADLO CC(C)(C(=O)NC[C@H]1CC12CC2)c1c[nH]c[nH+]1 ZINC000582654901 357364726 /nfs/dbraw/zinc/36/47/26/357364726.db2.gz KPUYVUVNINFODJ-SECBINFHSA-N 1 2 233.315 1.604 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2c[nH]nn2)C[C@H](C)O1 ZINC000582676731 357364746 /nfs/dbraw/zinc/36/47/46/357364746.db2.gz IUCYMTPMAFEHIT-DTORHVGOSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2c[nH]nn2)C[C@H](C)O1 ZINC000582676731 357364749 /nfs/dbraw/zinc/36/47/49/357364749.db2.gz IUCYMTPMAFEHIT-DTORHVGOSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2cn[nH]n2)C[C@H](C)O1 ZINC000582676731 357364753 /nfs/dbraw/zinc/36/47/53/357364753.db2.gz IUCYMTPMAFEHIT-DTORHVGOSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2cn[nH]n2)C[C@H](C)O1 ZINC000582676731 357364756 /nfs/dbraw/zinc/36/47/56/357364756.db2.gz IUCYMTPMAFEHIT-DTORHVGOSA-N 1 2 242.348 1.006 20 0 BDADLO CCO[C@@H]1C[C@H]1[NH2+]Cc1cc(COC)on1 ZINC000582771264 357385343 /nfs/dbraw/zinc/38/53/43/357385343.db2.gz YIWFRCIFBQFUQK-GHMZBOCLSA-N 1 2 226.276 1.088 20 0 BDADLO CCO[C@H]1C[C@@H]1[NH2+]Cc1cc(COC)on1 ZINC000582771266 357385817 /nfs/dbraw/zinc/38/58/17/357385817.db2.gz YIWFRCIFBQFUQK-QWRGUYRKSA-N 1 2 226.276 1.088 20 0 BDADLO C[C@H](CC(=O)N(C)[C@H]1CCOC1)n1cc[nH+]c1 ZINC000582789422 357395621 /nfs/dbraw/zinc/39/56/21/357395621.db2.gz YYXBEJHSKZAMAD-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO CCc1cccc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000582854714 357420129 /nfs/dbraw/zinc/42/01/29/357420129.db2.gz VYPWFRXZMHXTFF-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCc1cccc(C[N@H+]2CCn3nncc3C2)c1 ZINC000582854714 357420132 /nfs/dbraw/zinc/42/01/32/357420132.db2.gz VYPWFRXZMHXTFF-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cc1cc(C)c(CNc2cccnn2)c[nH+]1 ZINC000397057351 357491737 /nfs/dbraw/zinc/49/17/37/357491737.db2.gz UTYVRWJNKNFKOF-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CCC[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)OCC ZINC000233358927 357712993 /nfs/dbraw/zinc/71/29/93/357712993.db2.gz QVKBESXEDCTJPO-NTZNESFSSA-N 1 2 243.347 1.875 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397849874 357737792 /nfs/dbraw/zinc/73/77/92/357737792.db2.gz ZIDGBYQKZCDZBP-RNLVFQAGSA-N 1 2 220.276 1.278 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397849874 357737797 /nfs/dbraw/zinc/73/77/97/357737797.db2.gz ZIDGBYQKZCDZBP-RNLVFQAGSA-N 1 2 220.276 1.278 20 0 BDADLO CN1CCC[N@H+](Cc2ccc(F)cc2)CC1=O ZINC000191064054 357745772 /nfs/dbraw/zinc/74/57/72/357745772.db2.gz IVLZDLRBUAMRFU-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1=O ZINC000191064054 357745776 /nfs/dbraw/zinc/74/57/76/357745776.db2.gz IVLZDLRBUAMRFU-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO C[C@H]1CC[N@H+](C[Si](C)(C)C)CCS1(=O)=O ZINC000191697193 357800533 /nfs/dbraw/zinc/80/05/33/357800533.db2.gz LLPYWUQFIWHBQT-JTQLQIEISA-N 1 2 249.452 1.373 20 0 BDADLO C[C@H]1CC[N@@H+](C[Si](C)(C)C)CCS1(=O)=O ZINC000191697193 357800536 /nfs/dbraw/zinc/80/05/36/357800536.db2.gz LLPYWUQFIWHBQT-JTQLQIEISA-N 1 2 249.452 1.373 20 0 BDADLO Cc1cnc(CC[N@@H+](C)Cc2ncccn2)s1 ZINC000192130167 357824536 /nfs/dbraw/zinc/82/45/36/357824536.db2.gz HWOUNJOEFHIYCC-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1cnc(CC[N@H+](C)Cc2ncccn2)s1 ZINC000192130167 357824538 /nfs/dbraw/zinc/82/45/38/357824538.db2.gz HWOUNJOEFHIYCC-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@@H](C)O ZINC000191964487 357807167 /nfs/dbraw/zinc/80/71/67/357807167.db2.gz DYGMDHUZEXHYOD-GMTAPVOTSA-N 1 2 243.347 1.467 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+]CC(=O)OC(C)(C)C)C1(C)C ZINC000234837459 357829956 /nfs/dbraw/zinc/82/99/56/357829956.db2.gz UDKKNWLESRFAAZ-NXEZZACHSA-N 1 2 243.347 1.731 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+]CC(=O)OC(C)(C)C)C1(C)C ZINC000234855567 357839033 /nfs/dbraw/zinc/83/90/33/357839033.db2.gz UDKKNWLESRFAAZ-VHSXEESVSA-N 1 2 243.347 1.731 20 0 BDADLO Cn1cccc1[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000193009161 357864282 /nfs/dbraw/zinc/86/42/82/357864282.db2.gz FVRBWOCADUHDLD-CYBMUJFWSA-N 1 2 246.314 1.322 20 0 BDADLO Cn1cccc1[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000193009161 357864283 /nfs/dbraw/zinc/86/42/83/357864283.db2.gz FVRBWOCADUHDLD-CYBMUJFWSA-N 1 2 246.314 1.322 20 0 BDADLO C[C@@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CCO1 ZINC000235371051 357868214 /nfs/dbraw/zinc/86/82/14/357868214.db2.gz DGNFXKRTVQOLPV-RQJHMYQMSA-N 1 2 242.710 1.692 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)CCO1 ZINC000235371051 357868219 /nfs/dbraw/zinc/86/82/19/357868219.db2.gz DGNFXKRTVQOLPV-RQJHMYQMSA-N 1 2 242.710 1.692 20 0 BDADLO C[C@@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CCO1 ZINC000235423018 357868745 /nfs/dbraw/zinc/86/87/45/357868745.db2.gz DGNFXKRTVQOLPV-RNFRBKRXSA-N 1 2 242.710 1.692 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)CCO1 ZINC000235423018 357868748 /nfs/dbraw/zinc/86/87/48/357868748.db2.gz DGNFXKRTVQOLPV-RNFRBKRXSA-N 1 2 242.710 1.692 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC(C)(C)[C@@H]2c2ccco2)C1=O ZINC000639928332 357877168 /nfs/dbraw/zinc/87/71/68/357877168.db2.gz WDHWSTRSRMMLLT-JQWIXIFHSA-N 1 2 248.326 1.893 20 0 BDADLO CN1CC[C@H]([N@H+]2CC(C)(C)[C@@H]2c2ccco2)C1=O ZINC000639928332 357877171 /nfs/dbraw/zinc/87/71/71/357877171.db2.gz WDHWSTRSRMMLLT-JQWIXIFHSA-N 1 2 248.326 1.893 20 0 BDADLO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)OC(C)(C)C ZINC000235594986 357881029 /nfs/dbraw/zinc/88/10/29/357881029.db2.gz ODGHUIWJIKUYNA-BXKDBHETSA-N 1 2 229.320 1.485 20 0 BDADLO Cn1nncc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929898 357899408 /nfs/dbraw/zinc/89/94/08/357899408.db2.gz ROBIGOOCLCDOJW-LBPRGKRZSA-N 1 2 246.314 1.991 20 0 BDADLO Cn1nncc1C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929898 357899412 /nfs/dbraw/zinc/89/94/12/357899412.db2.gz ROBIGOOCLCDOJW-LBPRGKRZSA-N 1 2 246.314 1.991 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)CC2(CO)CC2)on1 ZINC000584418438 357915681 /nfs/dbraw/zinc/91/56/81/357915681.db2.gz AVNFSSZWRWZFDV-UHFFFAOYSA-N 1 2 238.287 1.082 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)CC2(CO)CC2)on1 ZINC000584418438 357915684 /nfs/dbraw/zinc/91/56/84/357915684.db2.gz AVNFSSZWRWZFDV-UHFFFAOYSA-N 1 2 238.287 1.082 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000610487499 357952212 /nfs/dbraw/zinc/95/22/12/357952212.db2.gz OIABGNYCFQQHSX-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000610487499 357952216 /nfs/dbraw/zinc/95/22/16/357952216.db2.gz OIABGNYCFQQHSX-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO CC(=O)c1sc([C@H]2COCC[NH2+]2)nc1C ZINC000226468991 166493041 /nfs/dbraw/zinc/49/30/41/166493041.db2.gz XHJLZLIIBZVECI-MRVPVSSYSA-N 1 2 226.301 1.315 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC000583836595 357968860 /nfs/dbraw/zinc/96/88/60/357968860.db2.gz AAVQBZQEDZQPPK-NSHDSACASA-N 1 2 235.331 1.778 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000639971593 358029805 /nfs/dbraw/zinc/02/98/05/358029805.db2.gz GMLGRUXHDLBHJG-UHFFFAOYSA-N 1 2 245.330 1.493 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000639971593 358029808 /nfs/dbraw/zinc/02/98/08/358029808.db2.gz GMLGRUXHDLBHJG-UHFFFAOYSA-N 1 2 245.330 1.493 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639972634 358031189 /nfs/dbraw/zinc/03/11/89/358031189.db2.gz XOEONJRIYHZAOI-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1cn[nH]c1C)C1CC1 ZINC000639972634 358031194 /nfs/dbraw/zinc/03/11/94/358031194.db2.gz XOEONJRIYHZAOI-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO COC(=O)CCC1CC[NH+](CC(F)F)CC1 ZINC000610652264 358043135 /nfs/dbraw/zinc/04/31/35/358043135.db2.gz HYZADWZMAIEGJE-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO Cc1cccn2cc(CSCCC(N)=O)[nH+]c12 ZINC000610648471 358044805 /nfs/dbraw/zinc/04/48/05/358044805.db2.gz BTWUYVHZLDZSMT-UHFFFAOYSA-N 1 2 249.339 1.751 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CC2)C1 ZINC000583881378 358115492 /nfs/dbraw/zinc/11/54/92/358115492.db2.gz AIFZXXUTCBKJQZ-SECBINFHSA-N 1 2 219.288 1.211 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(CC2)C1 ZINC000583881378 358115494 /nfs/dbraw/zinc/11/54/94/358115494.db2.gz AIFZXXUTCBKJQZ-SECBINFHSA-N 1 2 219.288 1.211 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](C)CCCO)[nH+]1 ZINC000450631603 202218018 /nfs/dbraw/zinc/21/80/18/202218018.db2.gz YUOYSQGHLXWQLK-SECBINFHSA-N 1 2 248.330 1.509 20 0 BDADLO C[C@@H](Cc1nc(-c2ncc[nH]2)no1)n1cc[nH+]c1 ZINC000351394206 358186662 /nfs/dbraw/zinc/18/66/62/358186662.db2.gz BVTZQOMKIMRJNN-QMMMGPOBSA-N 1 2 244.258 1.460 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000584829840 358193488 /nfs/dbraw/zinc/19/34/88/358193488.db2.gz QBHJLRVBDLJCJO-GSJFWJNXSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000584829840 358193489 /nfs/dbraw/zinc/19/34/89/358193489.db2.gz QBHJLRVBDLJCJO-GSJFWJNXSA-N 1 2 248.330 1.624 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000450669918 202230207 /nfs/dbraw/zinc/23/02/07/202230207.db2.gz DACWFFJRCKPWPM-UWVGGRQHSA-N 1 2 239.319 1.792 20 0 BDADLO C[C@@H](CO)[C@H](C)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000450733343 202248553 /nfs/dbraw/zinc/24/85/53/202248553.db2.gz OZYUAZHWEGMDDJ-IUCAKERBSA-N 1 2 241.335 1.474 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@@H]1CCCC[C@@H]1O ZINC000134602185 325366919 /nfs/dbraw/zinc/36/69/19/325366919.db2.gz XSVPDAJZWCNHAF-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@@H]1CCCC[C@@H]1O ZINC000134602185 325366922 /nfs/dbraw/zinc/36/69/22/325366922.db2.gz XSVPDAJZWCNHAF-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO CO[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000450753051 202255377 /nfs/dbraw/zinc/25/53/77/202255377.db2.gz GNOLHOJKNUAACR-ONGXEEELSA-N 1 2 221.304 1.646 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CNC(=O)C1 ZINC000225821954 358313537 /nfs/dbraw/zinc/31/35/37/358313537.db2.gz OOIDNWSRFPTAOJ-NSHDSACASA-N 1 2 241.294 1.844 20 0 BDADLO CS[C@H](CO)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000218902252 134270308 /nfs/dbraw/zinc/27/03/08/134270308.db2.gz YXGIVCLTKMKWLW-DTWKUNHWSA-N 1 2 227.333 1.309 20 0 BDADLO CC[C@@H](C)CN(C)c1nc[nH+]c(N)c1OC ZINC000134821399 325377932 /nfs/dbraw/zinc/37/79/32/325377932.db2.gz QGSMUXKGJPLBMB-MRVPVSSYSA-N 1 2 224.308 1.550 20 0 BDADLO CC[C@@H](C)CN(C)c1[nH+]cnc(N)c1OC ZINC000134821399 325377935 /nfs/dbraw/zinc/37/79/35/325377935.db2.gz QGSMUXKGJPLBMB-MRVPVSSYSA-N 1 2 224.308 1.550 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@@H](C(=O)[O-])C1 ZINC000229299149 358376345 /nfs/dbraw/zinc/37/63/45/358376345.db2.gz AHIVYCNUTCVVCZ-MWLCHTKSSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@@H](C(=O)[O-])C1 ZINC000229299149 358376350 /nfs/dbraw/zinc/37/63/50/358376350.db2.gz AHIVYCNUTCVVCZ-MWLCHTKSSA-N 1 2 237.303 1.105 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173847616 134277863 /nfs/dbraw/zinc/27/78/63/134277863.db2.gz YMBIEBDEPVKKQV-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173847616 134277864 /nfs/dbraw/zinc/27/78/64/134277864.db2.gz YMBIEBDEPVKKQV-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO Cc1cc(NCCCCn2cc[nH+]c2)ncn1 ZINC000045108228 358401645 /nfs/dbraw/zinc/40/16/45/358401645.db2.gz ACSMYBPZXUBYAW-UHFFFAOYSA-N 1 2 231.303 1.874 20 0 BDADLO COCCOCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000134551592 491132564 /nfs/dbraw/zinc/13/25/64/491132564.db2.gz CFQQQGNUQAFBMO-SECBINFHSA-N 1 2 227.308 1.032 20 0 BDADLO COCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000053292943 358540436 /nfs/dbraw/zinc/54/04/36/358540436.db2.gz RSVGHQVKYSHVKE-UHFFFAOYSA-N 1 2 205.261 1.299 20 0 BDADLO C[C@H]1C[C@H](NC(=O)NCC(F)F)c2[nH+]ccn21 ZINC000640194627 358613340 /nfs/dbraw/zinc/61/33/40/358613340.db2.gz IAOUZYITMZLDQD-BQBZGAKWSA-N 1 2 244.245 1.453 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)NCC(F)F)c2[nH+]ccn21 ZINC000640194628 358613377 /nfs/dbraw/zinc/61/33/77/358613377.db2.gz IAOUZYITMZLDQD-NKWVEPMBSA-N 1 2 244.245 1.453 20 0 BDADLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000049429083 358689466 /nfs/dbraw/zinc/68/94/66/358689466.db2.gz KEAWVNVIRNGJKQ-UHFFFAOYSA-N 1 2 242.282 1.294 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccncc1 ZINC000133873501 358771052 /nfs/dbraw/zinc/77/10/52/358771052.db2.gz LXVPRNKBYKDHQM-NSHDSACASA-N 1 2 236.315 1.854 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccncc1 ZINC000133873501 358771053 /nfs/dbraw/zinc/77/10/53/358771053.db2.gz LXVPRNKBYKDHQM-NSHDSACASA-N 1 2 236.315 1.854 20 0 BDADLO COC(=O)[C@H](C)NCc1cc(OC)cc(C)[nH+]1 ZINC000214129368 358759263 /nfs/dbraw/zinc/75/92/63/358759263.db2.gz QBYGGUYAAHVTAN-VIFPVBQESA-N 1 2 238.287 1.050 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2ccn(C)n2)c1 ZINC000214138270 358759623 /nfs/dbraw/zinc/75/96/23/358759623.db2.gz VIANPOBZGYOMRP-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1cc(C)nc(C[NH2+]Cc2ccn(C)n2)c1 ZINC000214138270 358759627 /nfs/dbraw/zinc/75/96/27/358759627.db2.gz VIANPOBZGYOMRP-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000050064110 358711595 /nfs/dbraw/zinc/71/15/95/358711595.db2.gz FSWVPDRMVFCZTE-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000050064110 358711597 /nfs/dbraw/zinc/71/15/97/358711597.db2.gz FSWVPDRMVFCZTE-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000613675822 363618685 /nfs/dbraw/zinc/61/86/85/363618685.db2.gz SIIXMLHYWUZZRZ-WDEREUQCSA-N 1 2 247.342 1.750 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000578288498 366473950 /nfs/dbraw/zinc/47/39/50/366473950.db2.gz RJUINEBGRXHFNC-NWDGAFQWSA-N 1 2 249.314 1.997 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135541999 358843063 /nfs/dbraw/zinc/84/30/63/358843063.db2.gz YRLTVUNRHCXXKR-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOCC12CCC2 ZINC000135541999 358843065 /nfs/dbraw/zinc/84/30/65/358843065.db2.gz YRLTVUNRHCXXKR-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO COCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000053778927 358844503 /nfs/dbraw/zinc/84/45/03/358844503.db2.gz NXGGHRMYTQINIK-UHFFFAOYSA-N 1 2 248.326 1.091 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)[nH]1 ZINC000640220765 358889556 /nfs/dbraw/zinc/88/95/56/358889556.db2.gz OQMBCIOPJHXWGV-PSASIEDQSA-N 1 2 246.318 1.495 20 0 BDADLO COc1cc(C[NH2+][C@@H]2CCCn3nccc32)on1 ZINC000640221432 358894662 /nfs/dbraw/zinc/89/46/62/358894662.db2.gz XMSFMRJYZBTJFI-SNVBAGLBSA-N 1 2 248.286 1.504 20 0 BDADLO CC[C@H](NC(=O)c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000140463143 358922375 /nfs/dbraw/zinc/92/23/75/358922375.db2.gz CHRBHYGSNGYJRT-VIFPVBQESA-N 1 2 233.275 1.024 20 0 BDADLO CC[C@@H](NC(=O)c1ccncc1)c1[nH]cc[nH+]1 ZINC000140473304 358922683 /nfs/dbraw/zinc/92/26/83/358922683.db2.gz ZZHIBEMADGISRI-SNVBAGLBSA-N 1 2 230.271 1.686 20 0 BDADLO CC[C@H](NC(=O)c1ccnnc1)c1[nH]cc[nH+]1 ZINC000140516789 358922738 /nfs/dbraw/zinc/92/27/38/358922738.db2.gz FHHDIHRKRYEUSN-VIFPVBQESA-N 1 2 231.259 1.081 20 0 BDADLO CC[C@@H](NC(=O)c1cncc(C)c1)c1[nH]cc[nH+]1 ZINC000140538642 358923335 /nfs/dbraw/zinc/92/33/35/358923335.db2.gz IYWJOMJXYDCDSB-LLVKDONJSA-N 1 2 244.298 1.994 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC(C)(C)O1 ZINC000140651566 358923605 /nfs/dbraw/zinc/92/36/05/358923605.db2.gz XBKLSZSXKRDCQB-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC(C)(C)O1 ZINC000140651566 358923611 /nfs/dbraw/zinc/92/36/11/358923611.db2.gz XBKLSZSXKRDCQB-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H](Oc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000070991142 359069749 /nfs/dbraw/zinc/06/97/49/359069749.db2.gz JPQLFSFVLYNRHH-JTQLQIEISA-N 1 2 245.282 1.493 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871956 359106737 /nfs/dbraw/zinc/10/67/37/359106737.db2.gz OHZXUXUWCCNDMN-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871956 359106742 /nfs/dbraw/zinc/10/67/42/359106742.db2.gz OHZXUXUWCCNDMN-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccsc2Cl)nn1 ZINC000308854051 491139047 /nfs/dbraw/zinc/13/90/47/491139047.db2.gz JODXMLUJTMZOCC-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000177872635 134303886 /nfs/dbraw/zinc/30/38/86/134303886.db2.gz XUNKHGDOLIRBGG-IUCAKERBSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000177872635 134303887 /nfs/dbraw/zinc/30/38/87/134303887.db2.gz XUNKHGDOLIRBGG-IUCAKERBSA-N 1 2 209.293 1.862 20 0 BDADLO COc1ncccc1C[NH2+][C@@H](C)c1nccn1C ZINC000070444958 359054152 /nfs/dbraw/zinc/05/41/52/359054152.db2.gz JIIHQIIOUDEZGZ-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H](C)O1 ZINC000247555848 359233713 /nfs/dbraw/zinc/23/37/13/359233713.db2.gz QTZOYYZDPKWXDF-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H](C)O1 ZINC000247555848 359233716 /nfs/dbraw/zinc/23/37/16/359233716.db2.gz QTZOYYZDPKWXDF-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000611272740 359286149 /nfs/dbraw/zinc/28/61/49/359286149.db2.gz HXKLRHXQQDUHQM-NSHDSACASA-N 1 2 237.303 1.326 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cn[nH]c1 ZINC000611272740 359286152 /nfs/dbraw/zinc/28/61/52/359286152.db2.gz HXKLRHXQQDUHQM-NSHDSACASA-N 1 2 237.303 1.326 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cn[nH]c1)C(C)(C)C ZINC000611254914 359274866 /nfs/dbraw/zinc/27/48/66/359274866.db2.gz GFDOWRFTRRQLNV-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cn[nH]c1)C(C)(C)C ZINC000611254914 359274869 /nfs/dbraw/zinc/27/48/69/359274869.db2.gz GFDOWRFTRRQLNV-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(CO)o1 ZINC000611268108 359283536 /nfs/dbraw/zinc/28/35/36/359283536.db2.gz MIHCZNUSDJCSMO-UHFFFAOYSA-N 1 2 241.287 1.155 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(CO)o1 ZINC000611268108 359283541 /nfs/dbraw/zinc/28/35/41/359283541.db2.gz MIHCZNUSDJCSMO-UHFFFAOYSA-N 1 2 241.287 1.155 20 0 BDADLO CCSCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000152527862 359345534 /nfs/dbraw/zinc/34/55/34/359345534.db2.gz QAQFZGRMJLNWNB-VIFPVBQESA-N 1 2 233.377 1.917 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611650855 359410077 /nfs/dbraw/zinc/41/00/77/359410077.db2.gz QWABTWNOHDVJMU-HBNTYKKESA-N 1 2 233.315 1.535 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000611651219 359411158 /nfs/dbraw/zinc/41/11/58/359411158.db2.gz OOIOFSUOFHOIDF-OUAUKWLOSA-N 1 2 247.342 1.629 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000611651219 359411161 /nfs/dbraw/zinc/41/11/61/359411161.db2.gz OOIOFSUOFHOIDF-OUAUKWLOSA-N 1 2 247.342 1.629 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H]1CF ZINC000580465453 359569730 /nfs/dbraw/zinc/56/97/30/359569730.db2.gz JPGJJEBWURPVOJ-ZETCQYMHSA-N 1 2 226.255 1.006 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H]1CF ZINC000580465453 359569737 /nfs/dbraw/zinc/56/97/37/359569737.db2.gz JPGJJEBWURPVOJ-ZETCQYMHSA-N 1 2 226.255 1.006 20 0 BDADLO CCc1nn(C)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000580466926 359571281 /nfs/dbraw/zinc/57/12/81/359571281.db2.gz RGBZEVQPOVNHMW-UHFFFAOYSA-N 1 2 233.319 1.935 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000309037335 491143062 /nfs/dbraw/zinc/14/30/62/491143062.db2.gz JAEUWYYYQUGRGF-UHFFFAOYSA-N 1 2 223.305 1.113 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309040308 491143097 /nfs/dbraw/zinc/14/30/97/491143097.db2.gz KVILBSWMIPTMER-IUCAKERBSA-N 1 2 211.309 1.794 20 0 BDADLO CCc1cc(NCc2c[nH+]cn2C)no1 ZINC000309049628 491143419 /nfs/dbraw/zinc/14/34/19/491143419.db2.gz QDJSKSVZGVXHKE-UHFFFAOYSA-N 1 2 206.249 1.583 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628498220 359708034 /nfs/dbraw/zinc/70/80/34/359708034.db2.gz IOQVOMFHUDQVGL-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628498220 359708036 /nfs/dbraw/zinc/70/80/36/359708036.db2.gz IOQVOMFHUDQVGL-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)Nc1nccc(OC)n1 ZINC000450828032 202277195 /nfs/dbraw/zinc/27/71/95/202277195.db2.gz JCDQOPZHGNRAMP-SECBINFHSA-N 1 2 247.302 1.875 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612307039 359778038 /nfs/dbraw/zinc/77/80/38/359778038.db2.gz DPGXALIYIZGDCV-WRWGMCAJSA-N 1 2 247.342 1.923 20 0 BDADLO Cc1cc(N[C@H](C)c2ccon2)nc[nH+]1 ZINC000309087972 491144300 /nfs/dbraw/zinc/14/43/00/491144300.db2.gz ACOHJLVZWXCQGK-MRVPVSSYSA-N 1 2 204.233 1.946 20 0 BDADLO CC1(C)COC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000450861173 202292932 /nfs/dbraw/zinc/29/29/32/202292932.db2.gz YECZGXBRGGHFBQ-CYBMUJFWSA-N 1 2 243.310 1.889 20 0 BDADLO Cc1nc(N2C[C@H](O)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000450941096 202316252 /nfs/dbraw/zinc/31/62/52/202316252.db2.gz MZDKPJMOIFEKGV-QPUJVOFHSA-N 1 2 235.331 1.609 20 0 BDADLO C[C@H]1C[C@@H](O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000450945632 202316809 /nfs/dbraw/zinc/31/68/09/202316809.db2.gz VHOPGTMLYBUFQY-GXSJLCMTSA-N 1 2 233.315 1.561 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000578360621 366539039 /nfs/dbraw/zinc/53/90/39/366539039.db2.gz UPPHTCYBPSRHLF-DCAQKATOSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612373104 359811080 /nfs/dbraw/zinc/81/10/80/359811080.db2.gz UMDIGGIPJNBPDH-SECBINFHSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612373104 359811082 /nfs/dbraw/zinc/81/10/82/359811082.db2.gz UMDIGGIPJNBPDH-SECBINFHSA-N 1 2 231.299 1.349 20 0 BDADLO Cc1ccoc1C[N@@H+](C)C[C@H](C)S(C)(=O)=O ZINC000451058312 202341577 /nfs/dbraw/zinc/34/15/77/202341577.db2.gz VEOPMKDZPQEONV-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccoc1C[N@H+](C)C[C@H](C)S(C)(=O)=O ZINC000451058312 202341581 /nfs/dbraw/zinc/34/15/81/202341581.db2.gz VEOPMKDZPQEONV-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](F)C1 ZINC000451184662 202373007 /nfs/dbraw/zinc/37/30/07/202373007.db2.gz KMUXOIQZIPIUSQ-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](F)C1 ZINC000451184662 202373008 /nfs/dbraw/zinc/37/30/08/202373008.db2.gz KMUXOIQZIPIUSQ-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@H](F)C2)n1 ZINC000451199637 202378889 /nfs/dbraw/zinc/37/88/89/202378889.db2.gz RLCQIKAVNLGQEO-IUCAKERBSA-N 1 2 225.267 1.595 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2CCOC2(C)C)no1 ZINC000451237953 202384602 /nfs/dbraw/zinc/38/46/02/202384602.db2.gz SFIWSHSLVNMSCN-VIFPVBQESA-N 1 2 239.319 1.679 20 0 BDADLO CC(=O)c1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]1 ZINC000578643376 366617797 /nfs/dbraw/zinc/61/77/97/366617797.db2.gz XRYOPVMFDGZENS-SSDOTTSWSA-N 1 2 246.270 1.431 20 0 BDADLO CC[N@H+](Cc1cc(C)ncn1)C1COC1 ZINC000451287907 202398468 /nfs/dbraw/zinc/39/84/68/202398468.db2.gz GUUQRQJBKGXIQB-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CC[N@@H+](Cc1cc(C)ncn1)C1COC1 ZINC000451287907 202398472 /nfs/dbraw/zinc/39/84/72/202398472.db2.gz GUUQRQJBKGXIQB-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1[nH]c(CNCc2cc(C)nc(C)n2)[nH+]c1C ZINC000578550457 366597345 /nfs/dbraw/zinc/59/73/45/366597345.db2.gz GKVXYVZUCJYFKG-UHFFFAOYSA-N 1 2 245.330 1.723 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCOC1 ZINC000578725109 366632239 /nfs/dbraw/zinc/63/22/39/366632239.db2.gz NOMHBWQEZUVXCD-SNVBAGLBSA-N 1 2 249.314 1.585 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCCC[C@H]1CO ZINC000088619496 359970440 /nfs/dbraw/zinc/97/04/40/359970440.db2.gz WGDVIIWONCHVJP-NSHDSACASA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCCC[C@H]1CO ZINC000088619496 359970444 /nfs/dbraw/zinc/97/04/44/359970444.db2.gz WGDVIIWONCHVJP-NSHDSACASA-N 1 2 238.335 1.035 20 0 BDADLO Cc1ccc(F)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753683 359975031 /nfs/dbraw/zinc/97/50/31/359975031.db2.gz GZIZSYOFRGQMGU-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1ccc(F)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753683 359975036 /nfs/dbraw/zinc/97/50/36/359975036.db2.gz GZIZSYOFRGQMGU-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2cc[nH]c2c1 ZINC000088752412 359975748 /nfs/dbraw/zinc/97/57/48/359975748.db2.gz DVCRNFGGDKGSEH-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2cc[nH]c2c1 ZINC000088752412 359975750 /nfs/dbraw/zinc/97/57/50/359975750.db2.gz DVCRNFGGDKGSEH-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1C ZINC000088759386 359977520 /nfs/dbraw/zinc/97/75/20/359977520.db2.gz LUQLUBLEPWCKIR-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1C ZINC000088759386 359977522 /nfs/dbraw/zinc/97/75/22/359977522.db2.gz LUQLUBLEPWCKIR-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612693588 360010299 /nfs/dbraw/zinc/01/02/99/360010299.db2.gz CNGKJEJCRSPCKN-VPOLOUISSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612693588 360010303 /nfs/dbraw/zinc/01/03/03/360010303.db2.gz CNGKJEJCRSPCKN-VPOLOUISSA-N 1 2 245.326 1.429 20 0 BDADLO Cc1cc(N2CC(O)(C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000089667067 360033588 /nfs/dbraw/zinc/03/35/88/360033588.db2.gz XFIKVXYJSIIYSH-UHFFFAOYSA-N 1 2 247.342 1.870 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000091008175 360098018 /nfs/dbraw/zinc/09/80/18/360098018.db2.gz VOXOKBSSAZPAFN-CMPLNLGQSA-N 1 2 238.331 1.702 20 0 BDADLO NC(=O)[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000306462709 360069950 /nfs/dbraw/zinc/06/99/50/360069950.db2.gz HVLBWRPORFTYRN-ZCFIWIBFSA-N 1 2 245.735 1.104 20 0 BDADLO NC(=O)[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000306462709 360069953 /nfs/dbraw/zinc/06/99/53/360069953.db2.gz HVLBWRPORFTYRN-ZCFIWIBFSA-N 1 2 245.735 1.104 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000090814783 360090671 /nfs/dbraw/zinc/09/06/71/360090671.db2.gz OPXPEBQMMDILLT-OUAUKWLOSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093507509 360252142 /nfs/dbraw/zinc/25/21/42/360252142.db2.gz NWVPSMLETHEMGE-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093507509 360252146 /nfs/dbraw/zinc/25/21/46/360252146.db2.gz NWVPSMLETHEMGE-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)cc1 ZINC000093050518 360212625 /nfs/dbraw/zinc/21/26/25/360212625.db2.gz MXKOCGZQPSOOLN-CYBMUJFWSA-N 1 2 248.326 1.406 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000093050518 360212629 /nfs/dbraw/zinc/21/26/29/360212629.db2.gz MXKOCGZQPSOOLN-CYBMUJFWSA-N 1 2 248.326 1.406 20 0 BDADLO COc1csc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000093197466 360221638 /nfs/dbraw/zinc/22/16/38/360221638.db2.gz WXXXXXOEHBPQLL-UHFFFAOYSA-N 1 2 240.328 1.144 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000093312386 360228112 /nfs/dbraw/zinc/22/81/12/360228112.db2.gz HKIGLSIURGALPV-UHFFFAOYSA-N 1 2 238.335 1.390 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000093312386 360228113 /nfs/dbraw/zinc/22/81/13/360228113.db2.gz HKIGLSIURGALPV-UHFFFAOYSA-N 1 2 238.335 1.390 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cccn1C ZINC000093359642 360237630 /nfs/dbraw/zinc/23/76/30/360237630.db2.gz UFWQFXKPGOFAAZ-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cccn1C ZINC000093359642 360237631 /nfs/dbraw/zinc/23/76/31/360237631.db2.gz UFWQFXKPGOFAAZ-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000578966119 366680897 /nfs/dbraw/zinc/68/08/97/366680897.db2.gz KTHMHSDENRNXKW-PEGIJTEDSA-N 1 2 226.320 1.112 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000578966119 366680904 /nfs/dbraw/zinc/68/09/04/366680904.db2.gz KTHMHSDENRNXKW-PEGIJTEDSA-N 1 2 226.320 1.112 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(F)c1 ZINC000094216782 360301063 /nfs/dbraw/zinc/30/10/63/360301063.db2.gz FKUFKPFAYRIHON-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)c(F)c1 ZINC000094216665 360301177 /nfs/dbraw/zinc/30/11/77/360301177.db2.gz FCJJWAWTDSVKSC-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000096785735 360354080 /nfs/dbraw/zinc/35/40/80/360354080.db2.gz ZISXWXCJAAHWOH-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000096785908 360355662 /nfs/dbraw/zinc/35/56/62/360355662.db2.gz YPYWTJPPEWKECY-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)CCc1c[nH+]c[nH]1 ZINC000628604760 360572514 /nfs/dbraw/zinc/57/25/14/360572514.db2.gz IASCGPQRTXLRDK-TVQRCGJNSA-N 1 2 249.314 1.026 20 0 BDADLO CC1(C)OC[C@@H]2C[C@@]21NC(=O)CCc1c[nH]c[nH+]1 ZINC000628604760 360572519 /nfs/dbraw/zinc/57/25/19/360572519.db2.gz IASCGPQRTXLRDK-TVQRCGJNSA-N 1 2 249.314 1.026 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(C1CC1)C1CC1 ZINC000628815457 360668355 /nfs/dbraw/zinc/66/83/55/360668355.db2.gz TUJPWFCFCNXUAZ-JTQLQIEISA-N 1 2 245.326 1.599 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920786 360753946 /nfs/dbraw/zinc/75/39/46/360753946.db2.gz HKBKBCLIARNWDV-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920786 360753951 /nfs/dbraw/zinc/75/39/51/360753951.db2.gz HKBKBCLIARNWDV-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cccc(C(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000628925070 360757707 /nfs/dbraw/zinc/75/77/07/360757707.db2.gz FCUHGSIHTHJZTJ-ZDUSSCGKSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1cccc(C(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000628925070 360757713 /nfs/dbraw/zinc/75/77/13/360757713.db2.gz FCUHGSIHTHJZTJ-ZDUSSCGKSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000628926028 360757844 /nfs/dbraw/zinc/75/78/44/360757844.db2.gz NQQKHLHHLZNVGN-CYBMUJFWSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000628926028 360757853 /nfs/dbraw/zinc/75/78/53/360757853.db2.gz NQQKHLHHLZNVGN-CYBMUJFWSA-N 1 2 248.326 1.055 20 0 BDADLO CCCC[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628925375 360758591 /nfs/dbraw/zinc/75/85/91/360758591.db2.gz ZOUDMZLGLXHSJJ-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628925375 360758595 /nfs/dbraw/zinc/75/85/95/360758595.db2.gz ZOUDMZLGLXHSJJ-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C/CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000629032669 360813697 /nfs/dbraw/zinc/81/36/97/360813697.db2.gz GOJURUMXMFHZQL-NSCUHMNNSA-N 1 2 246.301 1.656 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000629034723 360821969 /nfs/dbraw/zinc/82/19/69/360821969.db2.gz NEXHIAUTCQKUSB-VMZHVLLKSA-N 1 2 219.288 1.138 20 0 BDADLO NC(=O)c1coc(CNc2cccc[nH+]2)c1 ZINC000302486909 181311538 /nfs/dbraw/zinc/31/15/38/181311538.db2.gz YSVJCWRKWXBZSC-UHFFFAOYSA-N 1 2 217.228 1.386 20 0 BDADLO COC[C@H](C[NH2+][C@@H](C)c1cn[nH]c1C)OC ZINC000309568971 491151832 /nfs/dbraw/zinc/15/18/32/491151832.db2.gz NASCZPMGIWCMKD-WPRPVWTQSA-N 1 2 227.308 1.030 20 0 BDADLO CC(C)=CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000309578984 491152129 /nfs/dbraw/zinc/15/21/29/491152129.db2.gz PTMPYUSKBAXREL-UHFFFAOYSA-N 1 2 221.308 1.624 20 0 BDADLO CC(C)=CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000309578984 491152130 /nfs/dbraw/zinc/15/21/30/491152130.db2.gz PTMPYUSKBAXREL-UHFFFAOYSA-N 1 2 221.308 1.624 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2C[C@@H]2C)[nH+]1 ZINC000629103073 360878990 /nfs/dbraw/zinc/87/89/90/360878990.db2.gz AHXBTURPRXQDCJ-POYBYMJQSA-N 1 2 209.318 1.946 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cncs1 ZINC000162020680 361095139 /nfs/dbraw/zinc/09/51/39/361095139.db2.gz NELYGCICTJDJRX-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCO1)C(C)(C)C ZINC000041051828 361206979 /nfs/dbraw/zinc/20/69/79/361206979.db2.gz AYVBBEUCRYPYBG-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)COCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000158909450 361214817 /nfs/dbraw/zinc/21/48/17/361214817.db2.gz UWVGDDYMLLLWBP-LLVKDONJSA-N 1 2 213.321 1.570 20 0 BDADLO CC(C)COCC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000158909450 361214822 /nfs/dbraw/zinc/21/48/22/361214822.db2.gz UWVGDDYMLLLWBP-LLVKDONJSA-N 1 2 213.321 1.570 20 0 BDADLO COCCC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000066378665 361217707 /nfs/dbraw/zinc/21/77/07/361217707.db2.gz QJXFSVYVSSDYAR-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO COCCC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000066378665 361217709 /nfs/dbraw/zinc/21/77/09/361217709.db2.gz QJXFSVYVSSDYAR-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640476097 361250372 /nfs/dbraw/zinc/25/03/72/361250372.db2.gz KHOIBZMGRUGOSV-FDOIEUKUSA-N 1 2 235.287 1.075 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640476097 361250375 /nfs/dbraw/zinc/25/03/75/361250375.db2.gz KHOIBZMGRUGOSV-FDOIEUKUSA-N 1 2 235.287 1.075 20 0 BDADLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000066406064 361228492 /nfs/dbraw/zinc/22/84/92/361228492.db2.gz FBEAWXNOORBQHW-ZDUSSCGKSA-N 1 2 248.326 1.148 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000579128490 366720521 /nfs/dbraw/zinc/72/05/21/366720521.db2.gz MBVGAIDPKQIBEM-VWYCJHECSA-N 1 2 235.331 1.703 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000579128490 366720525 /nfs/dbraw/zinc/72/05/25/366720525.db2.gz MBVGAIDPKQIBEM-VWYCJHECSA-N 1 2 235.331 1.703 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000426762790 201000978 /nfs/dbraw/zinc/00/09/78/201000978.db2.gz NOBQLMQOTVPRPZ-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C)cn1 ZINC000426762790 201000981 /nfs/dbraw/zinc/00/09/81/201000981.db2.gz NOBQLMQOTVPRPZ-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO C[C@H](O)[C@@H](NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000579015256 366696984 /nfs/dbraw/zinc/69/69/84/366696984.db2.gz MYMHLFQMAIUPJI-TVQRCGJNSA-N 1 2 249.289 1.761 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000579015256 366696987 /nfs/dbraw/zinc/69/69/87/366696987.db2.gz MYMHLFQMAIUPJI-TVQRCGJNSA-N 1 2 249.289 1.761 20 0 BDADLO CCC1(CC)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579025587 366699544 /nfs/dbraw/zinc/69/95/44/366699544.db2.gz MKGQECISWVAVID-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cn1 ZINC000428461714 201019589 /nfs/dbraw/zinc/01/95/89/201019589.db2.gz IXSXYKNMNULFHO-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cn1 ZINC000428461714 201019592 /nfs/dbraw/zinc/01/95/92/201019592.db2.gz IXSXYKNMNULFHO-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@H]2CCOC2)[nH]1 ZINC000428941700 201049290 /nfs/dbraw/zinc/04/92/90/201049290.db2.gz KQIWQCONGGJOGV-JTQLQIEISA-N 1 2 224.308 1.112 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@H]2CCOC2)[nH]1 ZINC000428941700 201049293 /nfs/dbraw/zinc/04/92/93/201049293.db2.gz KQIWQCONGGJOGV-JTQLQIEISA-N 1 2 224.308 1.112 20 0 BDADLO Cc1nc(N(C)[C@@H]2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000428664372 201032725 /nfs/dbraw/zinc/03/27/25/201032725.db2.gz IXAFSAMTIZPXSV-MWLCHTKSSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000428664372 201032726 /nfs/dbraw/zinc/03/27/26/201032726.db2.gz IXAFSAMTIZPXSV-MWLCHTKSSA-N 1 2 249.362 1.871 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H]2CCCOC2)[nH]1 ZINC000428951478 201051416 /nfs/dbraw/zinc/05/14/16/201051416.db2.gz FVVOQMNZXDJUHL-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCCOC2)[nH]1 ZINC000428951478 201051419 /nfs/dbraw/zinc/05/14/19/201051419.db2.gz FVVOQMNZXDJUHL-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(F)(F)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000622071138 370692975 /nfs/dbraw/zinc/69/29/75/370692975.db2.gz GGNZVEHXGXRCNC-UHFFFAOYSA-N 1 2 245.273 1.849 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C2(CO)CCC2)n1 ZINC000429262659 201087201 /nfs/dbraw/zinc/08/72/01/201087201.db2.gz VMNLTJIWPQDOQY-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C2(CO)CCC2)n1 ZINC000429262659 201087205 /nfs/dbraw/zinc/08/72/05/201087205.db2.gz VMNLTJIWPQDOQY-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H]1C[C@@H]1c1noc(CCc2c[nH]c[nH+]2)n1 ZINC000579258623 366752139 /nfs/dbraw/zinc/75/21/39/366752139.db2.gz UKPXOQJNGGCECL-CBAPKCEASA-N 1 2 218.260 1.701 20 0 BDADLO C[C@H]1C[C@@H]1c1noc(CCc2c[nH+]c[nH]2)n1 ZINC000579258623 366752145 /nfs/dbraw/zinc/75/21/45/366752145.db2.gz UKPXOQJNGGCECL-CBAPKCEASA-N 1 2 218.260 1.701 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000579327065 366760114 /nfs/dbraw/zinc/76/01/14/366760114.db2.gz BGZXAOWAJKMFRG-RQJHMYQMSA-N 1 2 242.710 1.692 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000579327065 366760117 /nfs/dbraw/zinc/76/01/17/366760117.db2.gz BGZXAOWAJKMFRG-RQJHMYQMSA-N 1 2 242.710 1.692 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1ncnn1CC(F)F ZINC000429290006 201094698 /nfs/dbraw/zinc/09/46/98/201094698.db2.gz FRCHXEVQZPCNGS-QMMMGPOBSA-N 1 2 230.262 1.528 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1ncnn1CC(F)F ZINC000429290006 201094700 /nfs/dbraw/zinc/09/47/00/201094700.db2.gz FRCHXEVQZPCNGS-QMMMGPOBSA-N 1 2 230.262 1.528 20 0 BDADLO CSC[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000429288846 201097153 /nfs/dbraw/zinc/09/71/53/201097153.db2.gz CHQRNLDORHLYAD-MRVPVSSYSA-N 1 2 242.348 1.085 20 0 BDADLO CSC[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000429288846 201097156 /nfs/dbraw/zinc/09/71/56/201097156.db2.gz CHQRNLDORHLYAD-MRVPVSSYSA-N 1 2 242.348 1.085 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181497211 366815332 /nfs/dbraw/zinc/81/53/32/366815332.db2.gz DPHNKITWRQHZRX-LBPRGKRZSA-N 1 2 243.347 1.470 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000629595079 361482181 /nfs/dbraw/zinc/48/21/81/361482181.db2.gz JDFMHFLIFYGTPC-ZETCQYMHSA-N 1 2 229.292 1.054 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C(C)(C)C)c1 ZINC000170216525 361501675 /nfs/dbraw/zinc/50/16/75/361501675.db2.gz JVQIPDGCAADNLG-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO O[C@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000151915528 201188000 /nfs/dbraw/zinc/18/80/00/201188000.db2.gz RTEWFOZACAWZCH-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000151915528 201188003 /nfs/dbraw/zinc/18/80/03/201188003.db2.gz RTEWFOZACAWZCH-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO CCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC1 ZINC000433957099 201200810 /nfs/dbraw/zinc/20/08/10/201200810.db2.gz ZCLOJUIABFWAHT-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)OC(C)C ZINC000448547148 201204946 /nfs/dbraw/zinc/20/49/46/201204946.db2.gz CLRBGUNGWWAVTL-UHFFFAOYSA-N 1 2 236.315 1.954 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2(O)CCCC2)[nH+]1 ZINC000433764167 201191633 /nfs/dbraw/zinc/19/16/33/201191633.db2.gz CLBRSFGLFFZPDL-UHFFFAOYSA-N 1 2 246.314 1.405 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](CO)C2)[nH+]1 ZINC000433804777 201195813 /nfs/dbraw/zinc/19/58/13/201195813.db2.gz RWXXMQBHWFHLDC-VIFPVBQESA-N 1 2 232.287 1.085 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCOCC1CC1 ZINC000434389667 201218128 /nfs/dbraw/zinc/21/81/28/201218128.db2.gz YYQGCUNLEGZHLW-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1ccc(CNC(=O)CCCn2cc[nH+]c2)o1 ZINC000634310144 361621591 /nfs/dbraw/zinc/62/15/91/361621591.db2.gz DHLHNIJRMSLYBF-UHFFFAOYSA-N 1 2 247.298 1.881 20 0 BDADLO OCCCCNc1ccc(-c2ccncc2)c[nH+]1 ZINC000629689774 361624183 /nfs/dbraw/zinc/62/41/83/361624183.db2.gz BEDZZOFXFWJBPU-UHFFFAOYSA-N 1 2 243.310 1.750 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000448554927 201261205 /nfs/dbraw/zinc/26/12/05/201261205.db2.gz JTVCFDBNKBXXAJ-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000448554927 201261207 /nfs/dbraw/zinc/26/12/07/201261207.db2.gz JTVCFDBNKBXXAJ-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO Cc1oncc1-c1ccc(NCCCCO)[nH+]c1 ZINC000629713904 361654577 /nfs/dbraw/zinc/65/45/77/361654577.db2.gz WQXOYNSUZZPXEX-UHFFFAOYSA-N 1 2 247.298 1.651 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@H](C)CC2)[nH+]1 ZINC000436714561 201333641 /nfs/dbraw/zinc/33/36/41/201333641.db2.gz IMEAPTGHLZJNGG-HOMQSWHASA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H](C)CC2)nc(N(C)C)[nH+]1 ZINC000436714561 201333646 /nfs/dbraw/zinc/33/36/46/201333646.db2.gz IMEAPTGHLZJNGG-HOMQSWHASA-N 1 2 249.362 1.659 20 0 BDADLO CC1=C(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC1 ZINC000437178147 201345426 /nfs/dbraw/zinc/34/54/26/201345426.db2.gz WAOVNFQNIWXXDN-NSHDSACASA-N 1 2 233.315 1.888 20 0 BDADLO O=C(NCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437679549 201366007 /nfs/dbraw/zinc/36/60/07/201366007.db2.gz CWCVRYFPKGLSBG-UHFFFAOYSA-N 1 2 233.246 1.572 20 0 BDADLO Cc1ncoc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579483958 366828044 /nfs/dbraw/zinc/82/80/44/366828044.db2.gz BTJPBBUMJYKWOI-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccnn1C ZINC000622081828 370698492 /nfs/dbraw/zinc/69/84/92/370698492.db2.gz DFWOHJICHYVEOX-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO CCSCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000614917306 364081975 /nfs/dbraw/zinc/08/19/75/364081975.db2.gz VIUVUJLWIXUXMA-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CCSCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000614917306 364081980 /nfs/dbraw/zinc/08/19/80/364081980.db2.gz VIUVUJLWIXUXMA-MRVPVSSYSA-N 1 2 225.304 1.441 20 0 BDADLO CCCCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409228 364141719 /nfs/dbraw/zinc/14/17/19/364141719.db2.gz IIECTYLSZSKQMD-UHFFFAOYSA-N 1 2 224.308 1.741 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c[nH]nc1C ZINC000622082780 370699846 /nfs/dbraw/zinc/69/98/46/370699846.db2.gz ROEFOAPSNFGQBB-VIFPVBQESA-N 1 2 247.302 1.426 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CC(=O)C1 ZINC000622083282 370699929 /nfs/dbraw/zinc/69/99/29/370699929.db2.gz AUQYNMXBFRYXEQ-QMMMGPOBSA-N 1 2 235.287 1.059 20 0 BDADLO CC(C)Cn1ncnc1C[NH+]1CCCCC1 ZINC000156159332 201407521 /nfs/dbraw/zinc/40/75/21/201407521.db2.gz VQJPQQJNVIRDCL-UHFFFAOYSA-N 1 2 222.336 1.920 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@@H]1CC1(F)F ZINC000622194877 370755969 /nfs/dbraw/zinc/75/59/69/370755969.db2.gz BTCPYTGHYUSHKN-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO CCOCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000093028126 541347192 /nfs/dbraw/zinc/34/71/92/541347192.db2.gz YTQQUQNOCUQAHX-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO COC[C@@]1(C)C[C@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000630606486 364329988 /nfs/dbraw/zinc/32/99/88/364329988.db2.gz YQZAHWIGKOJAIE-VXGBXAGGSA-N 1 2 247.302 1.120 20 0 BDADLO C[C@@H](C(=O)C1CC1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000630605561 364336317 /nfs/dbraw/zinc/33/63/17/364336317.db2.gz LQSPVRKLDOKPJG-VIFPVBQESA-N 1 2 245.286 1.063 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]1C(F)(F)F ZINC000615031183 364397896 /nfs/dbraw/zinc/39/78/96/364397896.db2.gz WJCHFAZGEXLHKQ-ZETCQYMHSA-N 1 2 247.220 1.506 20 0 BDADLO CCc1nsc(NCc2c[nH+]cn2C)n1 ZINC000291125771 541354316 /nfs/dbraw/zinc/35/43/16/541354316.db2.gz MPHGGMUOBIEJPD-UHFFFAOYSA-N 1 2 223.305 1.446 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000135126307 364428831 /nfs/dbraw/zinc/42/88/31/364428831.db2.gz ASJANSRHNGTXFB-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO CCCN(CC)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000630707934 364479677 /nfs/dbraw/zinc/47/96/77/364479677.db2.gz PTIVZNOMKSCZPT-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615102027 364493944 /nfs/dbraw/zinc/49/39/44/364493944.db2.gz CPFAWCBNGKOJHM-SECBINFHSA-N 1 2 239.294 1.381 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615102027 364493952 /nfs/dbraw/zinc/49/39/52/364493952.db2.gz CPFAWCBNGKOJHM-SECBINFHSA-N 1 2 239.294 1.381 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(C(F)F)CCC1 ZINC000630735292 364523206 /nfs/dbraw/zinc/52/32/06/364523206.db2.gz RUFOCRDHFGGWGZ-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccncc1 ZINC000630734507 364523816 /nfs/dbraw/zinc/52/38/16/364523816.db2.gz DDUHQORJRQOLFL-NSHDSACASA-N 1 2 244.298 1.198 20 0 BDADLO Cc1ccoc1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615157366 364547886 /nfs/dbraw/zinc/54/78/86/364547886.db2.gz CMTYJTRGSAVYMF-SECBINFHSA-N 1 2 233.271 1.731 20 0 BDADLO CO[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CCC1 ZINC000615158753 364552516 /nfs/dbraw/zinc/55/25/16/364552516.db2.gz UODMPNZCHZYBAC-SCZZXKLOSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1nc(C(=O)Nc2c[nH+]c3n2CCCC3)c[nH]1 ZINC000573536561 364853974 /nfs/dbraw/zinc/85/39/74/364853974.db2.gz OAAUOUBZFPOHCB-UHFFFAOYSA-N 1 2 245.286 1.503 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCCC(=O)CC ZINC000573554463 364859515 /nfs/dbraw/zinc/85/95/15/364859515.db2.gz QLOOFZDKWSKVDO-UHFFFAOYSA-N 1 2 229.320 1.631 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCCC(=O)CC ZINC000573554463 364859520 /nfs/dbraw/zinc/85/95/20/364859520.db2.gz QLOOFZDKWSKVDO-UHFFFAOYSA-N 1 2 229.320 1.631 20 0 BDADLO COCC(C)(C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573376134 364815279 /nfs/dbraw/zinc/81/52/79/364815279.db2.gz INDFXBUPRYWVPM-SNVBAGLBSA-N 1 2 239.319 1.375 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000574383827 365048471 /nfs/dbraw/zinc/04/84/71/365048471.db2.gz POAYATIPTCOOGL-VHSXEESVSA-N 1 2 245.326 1.746 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000574383827 365048475 /nfs/dbraw/zinc/04/84/75/365048475.db2.gz POAYATIPTCOOGL-VHSXEESVSA-N 1 2 245.326 1.746 20 0 BDADLO CC[C@H]([NH2+]Cc1ncccn1)c1cnn(C)c1 ZINC000574413103 365057454 /nfs/dbraw/zinc/05/74/54/365057454.db2.gz GJGXZMQLMOGRLE-NSHDSACASA-N 1 2 231.303 1.451 20 0 BDADLO C[C@@H]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000574553912 365089238 /nfs/dbraw/zinc/08/92/38/365089238.db2.gz ZPTRTVYDDLPNSP-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO COC[C@H]1CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574576139 365095414 /nfs/dbraw/zinc/09/54/14/365095414.db2.gz IJJQWRKRDFYITN-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000574749574 365133631 /nfs/dbraw/zinc/13/36/31/365133631.db2.gz LKFNMABPFIHHJX-NQMVMOMDSA-N 1 2 239.344 1.448 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cnc(C)cn2)CCO1 ZINC000442889173 193000272 /nfs/dbraw/zinc/00/02/72/193000272.db2.gz CWKNPQXMWVZCGR-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cnc(C)cn2)CCO1 ZINC000442889173 193000274 /nfs/dbraw/zinc/00/02/74/193000274.db2.gz CWKNPQXMWVZCGR-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)CCCO ZINC000575137914 365220020 /nfs/dbraw/zinc/22/00/20/365220020.db2.gz ITKZWEVBFRNAHC-VIFPVBQESA-N 1 2 209.293 1.088 20 0 BDADLO Cc1cc(N2CC(OCC(F)F)C2)nc[nH+]1 ZINC000444081082 193034161 /nfs/dbraw/zinc/03/41/61/193034161.db2.gz SZWBLFJMZMMKPS-UHFFFAOYSA-N 1 2 229.230 1.255 20 0 BDADLO CC(C)[C@@H](O)CCNc1cc[nH+]c2ccncc12 ZINC000444087910 193034244 /nfs/dbraw/zinc/03/42/44/193034244.db2.gz RSPGENCWTPRHPP-AWEZNQCLSA-N 1 2 245.326 1.871 20 0 BDADLO CC[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000554551043 325726889 /nfs/dbraw/zinc/72/68/89/325726889.db2.gz PTSGCCFQJOQEDJ-SNVBAGLBSA-N 1 2 221.304 1.364 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC(CC2CC2)C1 ZINC000622251422 370803195 /nfs/dbraw/zinc/80/31/95/370803195.db2.gz WPVOIKPDENEZEV-UHFFFAOYSA-N 1 2 233.315 1.532 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@@H]2CO)[nH+]1 ZINC000443525516 193023679 /nfs/dbraw/zinc/02/36/79/193023679.db2.gz YUDPEDRXGXEVHN-KCJUWKMLSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[C@H]3C)cn21 ZINC000068571558 370812847 /nfs/dbraw/zinc/81/28/47/370812847.db2.gz DURFVCPSUYSXCK-SKDRFNHKSA-N 1 2 243.310 1.915 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000444468802 193048025 /nfs/dbraw/zinc/04/80/25/193048025.db2.gz RRFDWFHVUGKYNN-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000171964604 365264401 /nfs/dbraw/zinc/26/44/01/365264401.db2.gz WIKMPYOPVCFHKA-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000171964604 365264402 /nfs/dbraw/zinc/26/44/02/365264402.db2.gz WIKMPYOPVCFHKA-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1cncnc1 ZINC000345021312 541455096 /nfs/dbraw/zinc/45/50/96/541455096.db2.gz VQZIVIRHLYUJLA-NSHDSACASA-N 1 2 229.287 1.367 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1cncnc1 ZINC000345021312 541455098 /nfs/dbraw/zinc/45/50/98/541455098.db2.gz VQZIVIRHLYUJLA-NSHDSACASA-N 1 2 229.287 1.367 20 0 BDADLO Cc1cnc(NC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000575185396 365232738 /nfs/dbraw/zinc/23/27/38/365232738.db2.gz YUSHTCLWYDVVSN-QMMMGPOBSA-N 1 2 234.259 1.769 20 0 BDADLO C[C@H](CC(=O)N1CCCCC1)n1cc[nH+]c1 ZINC000575320991 365288230 /nfs/dbraw/zinc/28/82/30/365288230.db2.gz PJJKMMLMVNURKV-LLVKDONJSA-N 1 2 221.304 1.847 20 0 BDADLO CC1(CCNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000575375936 365304448 /nfs/dbraw/zinc/30/44/48/365304448.db2.gz ASOWSAXOBYWSLK-SECBINFHSA-N 1 2 239.344 1.449 20 0 BDADLO c1cn(Cc2nc(Cc3ccncc3)no2)c[nH+]1 ZINC000575635500 365339929 /nfs/dbraw/zinc/33/99/29/365339929.db2.gz ZUFLRCUYBQZAAP-UHFFFAOYSA-N 1 2 241.254 1.300 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1nc2c(s1)CCC2 ZINC000576013285 365448923 /nfs/dbraw/zinc/44/89/23/365448923.db2.gz LEYARDIZWRWIEA-UHFFFAOYSA-N 1 2 248.311 1.285 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC1CCCCCC1 ZINC000576203625 365520803 /nfs/dbraw/zinc/52/08/03/365520803.db2.gz NWMJIFIJWFQDTA-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1CCCO1)n1cc[nH+]c1 ZINC000579598127 366899661 /nfs/dbraw/zinc/89/96/61/366899661.db2.gz ROXJLUYNFCZNNE-MNOVXSKESA-N 1 2 237.303 1.129 20 0 BDADLO COC[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579600038 366901164 /nfs/dbraw/zinc/90/11/64/366901164.db2.gz IORVSBPJUPISIS-MNOVXSKESA-N 1 2 239.319 1.233 20 0 BDADLO Cc1nnccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579718873 366990831 /nfs/dbraw/zinc/99/08/31/366990831.db2.gz XVBLCGQTUROWFJ-SECBINFHSA-N 1 2 245.286 1.571 20 0 BDADLO CC(C)(NC(=O)C1CCC1)c1[nH]cc[nH+]1 ZINC000579720936 366991665 /nfs/dbraw/zinc/99/16/65/366991665.db2.gz SYJRUCHBKIQFTD-UHFFFAOYSA-N 1 2 207.277 1.561 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccon1 ZINC000579855972 367055098 /nfs/dbraw/zinc/05/50/98/367055098.db2.gz IWBBWYXVYHBGOB-DTWKUNHWSA-N 1 2 248.286 1.454 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccon1 ZINC000579855972 367055103 /nfs/dbraw/zinc/05/51/03/367055103.db2.gz IWBBWYXVYHBGOB-DTWKUNHWSA-N 1 2 248.286 1.454 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000565048904 325851392 /nfs/dbraw/zinc/85/13/92/325851392.db2.gz WKGCFMQSUPXNMU-WDEREUQCSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1oncc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000185170864 367122845 /nfs/dbraw/zinc/12/28/45/367122845.db2.gz QWPCFSKYJGEIGM-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO Cc1oncc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000185170864 367122852 /nfs/dbraw/zinc/12/28/52/367122852.db2.gz QWPCFSKYJGEIGM-UHFFFAOYSA-N 1 2 239.319 1.330 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367616096 367087288 /nfs/dbraw/zinc/08/72/88/367087288.db2.gz NJBHOHHSQRJZCL-ZMLRMANQSA-N 1 2 235.331 1.536 20 0 BDADLO COCc1noc([C@H]([NH3+])c2ccc(C)cc2)n1 ZINC000580714073 367147777 /nfs/dbraw/zinc/14/77/77/367147777.db2.gz JCWXMKMXZLOSNV-LLVKDONJSA-N 1 2 233.271 1.573 20 0 BDADLO CCC[C@H](OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000622284259 370821748 /nfs/dbraw/zinc/82/17/48/370821748.db2.gz VTKRSNNSLFNSCG-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO COC[C@H](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000380258731 367163683 /nfs/dbraw/zinc/16/36/83/367163683.db2.gz RXYQJFMFSUJBPC-MRVPVSSYSA-N 1 2 225.292 1.007 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1ncnn1CCF ZINC000581050419 367245784 /nfs/dbraw/zinc/24/57/84/367245784.db2.gz OPWFQAGOQOPUFR-UHFFFAOYSA-N 1 2 244.314 1.104 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1ncnn1CCF ZINC000581050419 367245790 /nfs/dbraw/zinc/24/57/90/367245790.db2.gz OPWFQAGOQOPUFR-UHFFFAOYSA-N 1 2 244.314 1.104 20 0 BDADLO C[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000581173836 367282510 /nfs/dbraw/zinc/28/25/10/367282510.db2.gz GEEGOUYUDNVWGJ-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000581237639 367303083 /nfs/dbraw/zinc/30/30/83/367303083.db2.gz MYEPUAXFGAGHOL-OUAUKWLOSA-N 1 2 247.346 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000581237639 367303089 /nfs/dbraw/zinc/30/30/89/367303089.db2.gz MYEPUAXFGAGHOL-OUAUKWLOSA-N 1 2 247.346 1.268 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000194544098 367303716 /nfs/dbraw/zinc/30/37/16/367303716.db2.gz NONMAUYPIYOSHO-JTQLQIEISA-N 1 2 237.299 1.861 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000194544098 367303717 /nfs/dbraw/zinc/30/37/17/367303717.db2.gz NONMAUYPIYOSHO-JTQLQIEISA-N 1 2 237.299 1.861 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncnn1C)c1ccoc1 ZINC000381346051 367383913 /nfs/dbraw/zinc/38/39/13/367383913.db2.gz ZBULFWSAWJWXPF-IUCAKERBSA-N 1 2 220.276 1.820 20 0 BDADLO c1nc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)co1 ZINC000381445820 367404359 /nfs/dbraw/zinc/40/43/59/367404359.db2.gz FSBQHCFGJLNUMM-SECBINFHSA-N 1 2 218.260 1.045 20 0 BDADLO C[C@@H](Nc1c[nH]c[nH+]1)C1CCS(=O)(=O)CC1 ZINC000381501194 367420356 /nfs/dbraw/zinc/42/03/56/367420356.db2.gz OWWQLEDIWOWRAZ-MRVPVSSYSA-N 1 2 243.332 1.035 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000195514254 367366855 /nfs/dbraw/zinc/36/68/55/367366855.db2.gz KOEYRXYPRGSMHM-CYBMUJFWSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000195514254 367366858 /nfs/dbraw/zinc/36/68/58/367366858.db2.gz KOEYRXYPRGSMHM-CYBMUJFWSA-N 1 2 242.326 1.934 20 0 BDADLO CCOC1C[NH+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000383145802 367600881 /nfs/dbraw/zinc/60/08/81/367600881.db2.gz ADOIDUANMJCWKM-MRVPVSSYSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1(C)CCOCC1 ZINC000581559333 367590412 /nfs/dbraw/zinc/59/04/12/367590412.db2.gz VRNRRRTXCYYBNH-UHFFFAOYSA-N 1 2 235.331 1.744 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CCCOC ZINC000581647157 367650101 /nfs/dbraw/zinc/65/01/01/367650101.db2.gz CSOBKFNWOIJDEI-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CCCOC ZINC000581647157 367650103 /nfs/dbraw/zinc/65/01/03/367650103.db2.gz CSOBKFNWOIJDEI-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO COCC1(O)C[NH+](Cc2ccccc2F)C1 ZINC000383997744 367667766 /nfs/dbraw/zinc/66/77/66/367667766.db2.gz RDLNPALMFHDSTN-UHFFFAOYSA-N 1 2 225.263 1.019 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cscn2)c[nH+]1 ZINC000617827445 367765814 /nfs/dbraw/zinc/76/58/14/367765814.db2.gz VIVZUFXOMWYRNB-LURJTMIESA-N 1 2 236.300 1.666 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nccn1C(F)F ZINC000385671837 367852622 /nfs/dbraw/zinc/85/26/22/367852622.db2.gz NCJQEOMCCMARKY-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nccn1C(F)F ZINC000385671837 367852627 /nfs/dbraw/zinc/85/26/27/367852627.db2.gz NCJQEOMCCMARKY-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000581851731 367844058 /nfs/dbraw/zinc/84/40/58/367844058.db2.gz BMCVYJHOSLLLQQ-GRYCIOLGSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000022520346 367983505 /nfs/dbraw/zinc/98/35/05/367983505.db2.gz VZROZRNPILEZNP-JTQLQIEISA-N 1 2 231.299 1.997 20 0 BDADLO C[C@H](CC(=O)Nc1ncccn1)n1cc[nH+]c1 ZINC000582006328 368129330 /nfs/dbraw/zinc/12/93/30/368129330.db2.gz GWHRWXWJLZCTRI-SECBINFHSA-N 1 2 231.259 1.263 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H](F)C1 ZINC000615747171 368235639 /nfs/dbraw/zinc/23/56/39/368235639.db2.gz LILAUBLSHPCVHQ-UWVGGRQHSA-N 1 2 237.278 1.016 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C1CCCC1 ZINC000032687048 368260314 /nfs/dbraw/zinc/26/03/14/368260314.db2.gz XBDJIAHKGRFEGL-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000615707855 368216131 /nfs/dbraw/zinc/21/61/31/368216131.db2.gz AKAXJRYTKCXGEO-UTUOFQBUSA-N 1 2 247.342 1.955 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000042510059 368310793 /nfs/dbraw/zinc/31/07/93/368310793.db2.gz INMVERYYWUMZRY-SECBINFHSA-N 1 2 233.271 1.603 20 0 BDADLO CCCCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000043050769 368391203 /nfs/dbraw/zinc/39/12/03/368391203.db2.gz JCGPHEQBTKOPSG-UHFFFAOYSA-N 1 2 235.331 1.954 20 0 BDADLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCNC(=O)C1 ZINC000046037734 368434998 /nfs/dbraw/zinc/43/49/98/368434998.db2.gz XGJUNVHAVSLHIA-NEPJUHHUSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCNC(=O)C1 ZINC000046037734 368434999 /nfs/dbraw/zinc/43/49/99/368434999.db2.gz XGJUNVHAVSLHIA-NEPJUHHUSA-N 1 2 240.347 1.014 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000566678024 326073550 /nfs/dbraw/zinc/07/35/50/326073550.db2.gz MAVBQDJQQXEVPN-JMJZKYOTSA-N 1 2 226.276 1.047 20 0 BDADLO COC[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000057776447 368499853 /nfs/dbraw/zinc/49/98/53/368499853.db2.gz DURGTPKFDJDJRU-VIFPVBQESA-N 1 2 233.271 1.099 20 0 BDADLO Cc1cccc(-c2noc(C[N@H+](C)CCO)n2)c1 ZINC000058505798 368513514 /nfs/dbraw/zinc/51/35/14/368513514.db2.gz HABMWJURULJDBD-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO Cc1cccc(-c2noc(C[N@@H+](C)CCO)n2)c1 ZINC000058505798 368513517 /nfs/dbraw/zinc/51/35/17/368513517.db2.gz HABMWJURULJDBD-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO CCCN(CCC)C(=O)C[N@@H+]1CCOC[C@H]1C ZINC000058755418 368518811 /nfs/dbraw/zinc/51/88/11/368518811.db2.gz SCALDLAXXIBOGG-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCN(CCC)C(=O)C[N@H+]1CCOC[C@H]1C ZINC000058755418 368518812 /nfs/dbraw/zinc/51/88/12/368518812.db2.gz SCALDLAXXIBOGG-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO COCCCC(=O)NCCCCn1cc[nH+]c1 ZINC000060407870 368542577 /nfs/dbraw/zinc/54/25/77/368542577.db2.gz AIRRFCPCLRBCSB-UHFFFAOYSA-N 1 2 239.319 1.206 20 0 BDADLO CCOc1nnc(Cn2cc[nH+]c2)s1 ZINC000063483795 368585656 /nfs/dbraw/zinc/58/56/56/368585656.db2.gz LGQAJAQNKGRIKM-UHFFFAOYSA-N 1 2 210.262 1.182 20 0 BDADLO CCOc1nnc(C[N@H+](C)CC2CC2)s1 ZINC000063522684 368588236 /nfs/dbraw/zinc/58/82/36/368588236.db2.gz VMARWCJFKKNGQJ-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO CCOc1nnc(C[N@@H+](C)CC2CC2)s1 ZINC000063522684 368588245 /nfs/dbraw/zinc/58/82/45/368588245.db2.gz VMARWCJFKKNGQJ-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CC1(F)F ZINC000456348559 202936203 /nfs/dbraw/zinc/93/62/03/202936203.db2.gz KKPNRZXNHBGGIJ-YUMQZZPRSA-N 1 2 243.257 1.735 20 0 BDADLO COC(=O)C[N@H+](CCCO)Cc1ccccc1 ZINC000065223531 368619218 /nfs/dbraw/zinc/61/92/18/368619218.db2.gz PFQKULBYMZMIRP-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO COC(=O)C[N@@H+](CCCO)Cc1ccccc1 ZINC000065223531 368619219 /nfs/dbraw/zinc/61/92/19/368619219.db2.gz PFQKULBYMZMIRP-UHFFFAOYSA-N 1 2 237.299 1.044 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)CC(C)(C)O1 ZINC000068477596 368728180 /nfs/dbraw/zinc/72/81/80/368728180.db2.gz PJYVZJWZUADRAV-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)CC(C)(C)O1 ZINC000068477596 368728184 /nfs/dbraw/zinc/72/81/84/368728184.db2.gz PJYVZJWZUADRAV-SECBINFHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000068421071 368725610 /nfs/dbraw/zinc/72/56/10/368725610.db2.gz VAUJTSQKSYLUED-SNVBAGLBSA-N 1 2 208.261 1.754 20 0 BDADLO CCc1nnc(C[N@H+](C)C(C)(C)CO)s1 ZINC000680052898 487528007 /nfs/dbraw/zinc/52/80/07/487528007.db2.gz BWUBMXMGXDDSNQ-UHFFFAOYSA-N 1 2 229.349 1.303 20 0 BDADLO NC(=O)c1cnc(-n2cc[nH+]c2)c(Cl)c1 ZINC000068660170 368732549 /nfs/dbraw/zinc/73/25/49/368732549.db2.gz PILIEGUYCIQBAB-UHFFFAOYSA-N 1 2 222.635 1.020 20 0 BDADLO CCc1nnc(C[N@@H+](C)C(C)(C)CO)s1 ZINC000680052898 487528012 /nfs/dbraw/zinc/52/80/12/487528012.db2.gz BWUBMXMGXDDSNQ-UHFFFAOYSA-N 1 2 229.349 1.303 20 0 BDADLO CCn1cnc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000615952887 368762866 /nfs/dbraw/zinc/76/28/66/368762866.db2.gz INUQYXZBMBESGZ-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO Cc1cccc2[nH+]c(CNC(=O)NC3CC3)cn21 ZINC000069038345 368745002 /nfs/dbraw/zinc/74/50/02/368745002.db2.gz HMZZWTIFDVNMPW-UHFFFAOYSA-N 1 2 244.298 1.604 20 0 BDADLO CN(C)c1ccc(Nc2ncccn2)c[nH+]1 ZINC000073448580 368806372 /nfs/dbraw/zinc/80/63/72/368806372.db2.gz CWZQXIWXULHDIU-UHFFFAOYSA-N 1 2 215.260 1.681 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1cccs1 ZINC000072656735 368776903 /nfs/dbraw/zinc/77/69/03/368776903.db2.gz JKZLBTNMCHYCFV-UHFFFAOYSA-N 1 2 249.339 1.694 20 0 BDADLO C[N@H+](CCC(F)(F)F)CC(=O)N1CCCC1 ZINC000072982515 368788185 /nfs/dbraw/zinc/78/81/85/368788185.db2.gz BUDSKXCZVPSRFR-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO C[N@@H+](CCC(F)(F)F)CC(=O)N1CCCC1 ZINC000072982515 368788190 /nfs/dbraw/zinc/78/81/90/368788190.db2.gz BUDSKXCZVPSRFR-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ncc[nH]2)c[nH+]1 ZINC000616115018 368960474 /nfs/dbraw/zinc/96/04/74/368960474.db2.gz GLNJUJFAZIKDBR-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000457585399 203076787 /nfs/dbraw/zinc/07/67/87/203076787.db2.gz URRMIQSZHRKRRR-QMMMGPOBSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000457585399 203076791 /nfs/dbraw/zinc/07/67/91/203076791.db2.gz URRMIQSZHRKRRR-QMMMGPOBSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H](CC(=O)NCCc1ccoc1)n1cc[nH+]c1 ZINC000618469640 369149562 /nfs/dbraw/zinc/14/95/62/369149562.db2.gz KBXIJLMZKYQXPG-NSHDSACASA-N 1 2 247.298 1.786 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618496181 369158990 /nfs/dbraw/zinc/15/89/90/369158990.db2.gz GBJLUAHJSIQUDM-WOPDTQHZSA-N 1 2 233.315 1.436 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855285 203113577 /nfs/dbraw/zinc/11/35/77/203113577.db2.gz KRMOFDWUCBBKPP-YPMHNXCESA-N 1 2 235.331 1.515 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)C1CCC1 ZINC000457825407 203106752 /nfs/dbraw/zinc/10/67/52/203106752.db2.gz BHJAKHKFOIBXEE-JTQLQIEISA-N 1 2 235.331 1.955 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457845969 203111506 /nfs/dbraw/zinc/11/15/06/203111506.db2.gz BFEWPCYFTYCSFY-GHMZBOCLSA-N 1 2 235.331 1.515 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2C(C)(C)C2(C)C)c1 ZINC000457862424 203113777 /nfs/dbraw/zinc/11/37/77/203113777.db2.gz RBNJKFVNEZPYQA-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000457867304 203114521 /nfs/dbraw/zinc/11/45/21/203114521.db2.gz WXCMEPNVRANTGW-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457872200 203115067 /nfs/dbraw/zinc/11/50/67/203115067.db2.gz NSJMRDAYKRWBAR-BXUZGUMPSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000457867302 203115827 /nfs/dbraw/zinc/11/58/27/203115827.db2.gz WXCMEPNVRANTGW-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)CF)CC2 ZINC000627298065 369195581 /nfs/dbraw/zinc/19/55/81/369195581.db2.gz AARWAOJBUKQYEF-WCBMZHEXSA-N 1 2 239.294 1.228 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC=CCC2)c1 ZINC000458448353 203173947 /nfs/dbraw/zinc/17/39/47/203173947.db2.gz XWOPQBMCGVRKCZ-LLVKDONJSA-N 1 2 248.330 1.371 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619016088 369258028 /nfs/dbraw/zinc/25/80/28/369258028.db2.gz VPFYMASYFFXMMH-SNVBAGLBSA-N 1 2 247.298 1.742 20 0 BDADLO COC1(C(=O)Nc2c[nH+]c3c(C)cccn23)CC1 ZINC000619015563 369258346 /nfs/dbraw/zinc/25/83/46/369258346.db2.gz FXDTZXAVBBOLBI-UHFFFAOYSA-N 1 2 245.282 1.760 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnnn1CC ZINC000459301671 203250865 /nfs/dbraw/zinc/25/08/65/203250865.db2.gz MRVSWPWFADUHTB-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnnn1CC ZINC000459301671 203250867 /nfs/dbraw/zinc/25/08/67/203250867.db2.gz MRVSWPWFADUHTB-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000459304884 203253540 /nfs/dbraw/zinc/25/35/40/203253540.db2.gz OHXFPZHBOCKAAF-RYUDHWBXSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000459304884 203253544 /nfs/dbraw/zinc/25/35/44/203253544.db2.gz OHXFPZHBOCKAAF-RYUDHWBXSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1nncc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000459439309 203280214 /nfs/dbraw/zinc/28/02/14/203280214.db2.gz FGGISVUNXUOLOQ-AXFHLTTASA-N 1 2 238.335 1.296 20 0 BDADLO CCn1nncc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000459439309 203280217 /nfs/dbraw/zinc/28/02/17/203280217.db2.gz FGGISVUNXUOLOQ-AXFHLTTASA-N 1 2 238.335 1.296 20 0 BDADLO COc1cccc(C[NH+]2CC(OC)C2)c1 ZINC000459586514 203307146 /nfs/dbraw/zinc/30/71/46/203307146.db2.gz UEHSJOKJBHFLSJ-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO COc1cc(C[NH+]2CC(OC)C2)ccc1C ZINC000459590669 203310796 /nfs/dbraw/zinc/31/07/96/203310796.db2.gz YQSGBFISGOGGIE-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO c1nc(C2CC2)ncc1C[N@H+](C1CC1)C1COC1 ZINC000459567138 203303876 /nfs/dbraw/zinc/30/38/76/203303876.db2.gz JMODGOLQXSKEOT-UHFFFAOYSA-N 1 2 245.326 1.717 20 0 BDADLO c1nc(C2CC2)ncc1C[N@@H+](C1CC1)C1COC1 ZINC000459567138 203303878 /nfs/dbraw/zinc/30/38/78/203303878.db2.gz JMODGOLQXSKEOT-UHFFFAOYSA-N 1 2 245.326 1.717 20 0 BDADLO C=Cn1cc(C[NH+]2CC(C)(OCC)C2)cn1 ZINC000459615578 203315599 /nfs/dbraw/zinc/31/55/99/203315599.db2.gz FOUHWOKVRWCXTD-UHFFFAOYSA-N 1 2 221.304 1.594 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404523748 369431841 /nfs/dbraw/zinc/43/18/41/369431841.db2.gz RJDZWQVINPVQGR-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404523748 369431844 /nfs/dbraw/zinc/43/18/44/369431844.db2.gz RJDZWQVINPVQGR-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CCc1noc(C[N@H+](CCCCO)C2CC2)n1 ZINC000304225382 369460927 /nfs/dbraw/zinc/46/09/27/369460927.db2.gz GJLQCNIGJHDBNR-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1noc(C[N@@H+](CCCCO)C2CC2)n1 ZINC000304225382 369460930 /nfs/dbraw/zinc/46/09/30/369460930.db2.gz GJLQCNIGJHDBNR-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000622485157 370952602 /nfs/dbraw/zinc/95/26/02/370952602.db2.gz FXKUYSSMWFPJKX-NSHDSACASA-N 1 2 221.304 1.220 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCc2ccncc21 ZINC000622491395 370956192 /nfs/dbraw/zinc/95/61/92/370956192.db2.gz YAPJUXNHFCYPFY-UHFFFAOYSA-N 1 2 242.282 1.327 20 0 BDADLO CCOC1CC[NH+](Cc2noc(C)n2)CC1 ZINC000060485383 369487985 /nfs/dbraw/zinc/48/79/85/369487985.db2.gz HXJDHXWCVSCUEY-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COC[C@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459744814 203352254 /nfs/dbraw/zinc/35/22/54/203352254.db2.gz XXMYMMNTPKIVRV-SNVBAGLBSA-N 1 2 225.263 1.149 20 0 BDADLO COC[C@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459744814 203352257 /nfs/dbraw/zinc/35/22/57/203352257.db2.gz XXMYMMNTPKIVRV-SNVBAGLBSA-N 1 2 225.263 1.149 20 0 BDADLO FC(F)(F)C12CC(C1)CN2CCn1cc[nH+]c1 ZINC000459806307 203375722 /nfs/dbraw/zinc/37/57/22/203375722.db2.gz MUCJNZJSZUXGFK-UHFFFAOYSA-N 1 2 245.248 1.910 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000620074319 369707286 /nfs/dbraw/zinc/70/72/86/369707286.db2.gz DVOSRIQLPUDCMJ-HZMBPMFUSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)c1nc(NCCC[S@](C)=O)cc[nH+]1 ZINC000110592470 369875637 /nfs/dbraw/zinc/87/56/37/369875637.db2.gz HTVNLGNSXOQRBY-MRXNPFEDSA-N 1 2 241.360 1.781 20 0 BDADLO C[C@@H](NC(=O)CC1CCC1)c1[nH+]ccn1C ZINC000620600921 369950393 /nfs/dbraw/zinc/95/03/93/369950393.db2.gz RWBACEZSWPRILZ-SECBINFHSA-N 1 2 221.304 1.788 20 0 BDADLO C[C@H](NC(=O)[C@@]1(C)CCCO1)c1[nH+]ccn1C ZINC000620603241 369952157 /nfs/dbraw/zinc/95/21/57/369952157.db2.gz IVDYWZMZHGVYQK-JOYOIKCWSA-N 1 2 237.303 1.166 20 0 BDADLO CO[C@H](C)CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604444 369953459 /nfs/dbraw/zinc/95/34/59/369953459.db2.gz RCQXYSTYKPHHFK-NXEZZACHSA-N 1 2 239.319 1.412 20 0 BDADLO Cc1c(C(=O)N[C@H](C)c2[nH+]ccn2C)ccn1C ZINC000620605876 369954214 /nfs/dbraw/zinc/95/42/14/369954214.db2.gz LWRMNPPEDOCSOQ-SECBINFHSA-N 1 2 246.314 1.558 20 0 BDADLO COC(C)(C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605490 369954588 /nfs/dbraw/zinc/95/45/88/369954588.db2.gz FHCODFPVCMEGBQ-SECBINFHSA-N 1 2 239.319 1.412 20 0 BDADLO CCn1ccnc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606583 369954701 /nfs/dbraw/zinc/95/47/01/369954701.db2.gz WUZBSNIUVNEJAA-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO CCn1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000620612270 369957855 /nfs/dbraw/zinc/95/78/55/369957855.db2.gz SUQLCXANLXKMBZ-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO CCn1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000620612269 369957881 /nfs/dbraw/zinc/95/78/81/369957881.db2.gz SUQLCXANLXKMBZ-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO COC1(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000620648004 369972301 /nfs/dbraw/zinc/97/23/01/369972301.db2.gz QGNNSDGPVAKUHC-UHFFFAOYSA-N 1 2 245.282 1.760 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000620543312 369911184 /nfs/dbraw/zinc/91/11/84/369911184.db2.gz IWRPKBNHXNUSTC-FOGDFJRCSA-N 1 2 237.303 1.128 20 0 BDADLO CCC(F)(F)CNC(=O)NCCn1cc[nH+]c1 ZINC000623705084 369975821 /nfs/dbraw/zinc/97/58/21/369975821.db2.gz DDMSCCRVILIQRW-UHFFFAOYSA-N 1 2 246.261 1.228 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCOC1)c1[nH+]ccn1C ZINC000620594829 369947261 /nfs/dbraw/zinc/94/72/61/369947261.db2.gz GYHBLUHPMFCZTF-ZJUUUORDSA-N 1 2 237.303 1.024 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594890 369947432 /nfs/dbraw/zinc/94/74/32/369947432.db2.gz IDCPCVFGIXMJKD-VHSXEESVSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@H](NC(=O)c1ccoc1)c1[nH+]ccn1C ZINC000620595714 369948024 /nfs/dbraw/zinc/94/80/24/369948024.db2.gz JMSHJPHQIWGKKD-QMMMGPOBSA-N 1 2 219.244 1.504 20 0 BDADLO C[C@H]1SCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000074679679 370003091 /nfs/dbraw/zinc/00/30/91/370003091.db2.gz QQQIDPCXTJDIJF-VHSXEESVSA-N 1 2 239.344 1.236 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)N2CCCC2)ccn1 ZINC000621242813 370175009 /nfs/dbraw/zinc/17/50/09/370175009.db2.gz ZBGJZSZENBPPBM-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)N2CCCC2)ccn1 ZINC000621242813 370175015 /nfs/dbraw/zinc/17/50/15/370175015.db2.gz ZBGJZSZENBPPBM-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000076076180 370210552 /nfs/dbraw/zinc/21/05/52/370210552.db2.gz ILMGZHMWOFPORN-GHMZBOCLSA-N 1 2 236.319 1.371 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000076400510 370279562 /nfs/dbraw/zinc/27/95/62/370279562.db2.gz LYVBIKXUQNTNHW-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000076400510 370279570 /nfs/dbraw/zinc/27/95/70/370279570.db2.gz LYVBIKXUQNTNHW-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](CO)C2)no1 ZINC000621371978 370310246 /nfs/dbraw/zinc/31/02/46/370310246.db2.gz NBRRKTZFOUSJQP-QXEWZRGKSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](C)[C@H](CO)C2)no1 ZINC000621371978 370310250 /nfs/dbraw/zinc/31/02/50/370310250.db2.gz NBRRKTZFOUSJQP-QXEWZRGKSA-N 1 2 239.319 1.389 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000621510520 370374025 /nfs/dbraw/zinc/37/40/25/370374025.db2.gz FIAVGTGKYPEJCW-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cc(C[NH2+]Cc2nc(C)ccc2O)no1 ZINC000112716822 370347890 /nfs/dbraw/zinc/34/78/90/370347890.db2.gz VDRPUBMFOQWQBI-UHFFFAOYSA-N 1 2 233.271 1.682 20 0 BDADLO CC1CC(CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000621421329 370349136 /nfs/dbraw/zinc/34/91/36/370349136.db2.gz IGHRRPFOWKXRHF-UHFFFAOYSA-N 1 2 236.319 1.265 20 0 BDADLO CCOc1cncc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000621710920 370455917 /nfs/dbraw/zinc/45/59/17/370455917.db2.gz XEWIGMHBHXTVRD-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cncc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000621710920 370455920 /nfs/dbraw/zinc/45/59/20/370455920.db2.gz XEWIGMHBHXTVRD-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000621711896 370457438 /nfs/dbraw/zinc/45/74/38/370457438.db2.gz LLIJIMBFHDEOMD-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000621711896 370457444 /nfs/dbraw/zinc/45/74/44/370457444.db2.gz LLIJIMBFHDEOMD-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000621716526 370464553 /nfs/dbraw/zinc/46/45/53/370464553.db2.gz DDLKAZRFIILJLJ-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000621716526 370464556 /nfs/dbraw/zinc/46/45/56/370464556.db2.gz DDLKAZRFIILJLJ-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000621723177 370475828 /nfs/dbraw/zinc/47/58/28/370475828.db2.gz XBWHXKCQKUMVBM-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000621723177 370475830 /nfs/dbraw/zinc/47/58/30/370475830.db2.gz XBWHXKCQKUMVBM-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO CCCCN(CC)C(=O)Cn1cc[nH+]c1 ZINC000104664317 168793407 /nfs/dbraw/zinc/79/34/07/168793407.db2.gz IOPUVWDFYSHXOH-UHFFFAOYSA-N 1 2 209.293 1.532 20 0 BDADLO CCc1cc(N[C@@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000077900664 370501818 /nfs/dbraw/zinc/50/18/18/370501818.db2.gz ZGFIBGBUQPTMIR-SNVBAGLBSA-N 1 2 234.303 1.072 20 0 BDADLO CCOc1cncc(C[N@H+](C2CC2)C2COC2)c1 ZINC000621729098 370481696 /nfs/dbraw/zinc/48/16/96/370481696.db2.gz ITOJJXAGEZGBQD-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1cncc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000621729098 370481698 /nfs/dbraw/zinc/48/16/98/370481698.db2.gz ITOJJXAGEZGBQD-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000621731156 370483935 /nfs/dbraw/zinc/48/39/35/370483935.db2.gz COVXCLIRNDPURB-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000621731156 370483944 /nfs/dbraw/zinc/48/39/44/370483944.db2.gz COVXCLIRNDPURB-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CSC[C@H](CCO)Nc1cc[nH+]c(C)n1 ZINC000078301699 370550003 /nfs/dbraw/zinc/55/00/03/370550003.db2.gz MQMSELWWHBWGFK-VIFPVBQESA-N 1 2 227.333 1.311 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507100 326360625 /nfs/dbraw/zinc/36/06/25/326360625.db2.gz JHAGVSZKPXLQFJ-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621857179 370567956 /nfs/dbraw/zinc/56/79/56/370567956.db2.gz SJDNKCDXZPUYRM-NXEZZACHSA-N 1 2 235.331 1.992 20 0 BDADLO CCc1cc(N[C@H](C)CCOC)nc[nH+]1 ZINC000078598055 370579830 /nfs/dbraw/zinc/57/98/30/370579830.db2.gz BCHDFDLOZILMAQ-SECBINFHSA-N 1 2 209.293 1.876 20 0 BDADLO CCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079148206 370626874 /nfs/dbraw/zinc/62/68/74/370626874.db2.gz UTSSNFVIWCHLNX-UHFFFAOYSA-N 1 2 248.326 1.867 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069890268 370993773 /nfs/dbraw/zinc/99/37/73/370993773.db2.gz FLRXCUFGXJYNAQ-BDAKNGLRSA-N 1 2 215.293 1.095 20 0 BDADLO CC(C)n1ncnc1CNc1cccc[nH+]1 ZINC000631045042 371024159 /nfs/dbraw/zinc/02/41/59/371024159.db2.gz MTQDMEHGUKWPPM-UHFFFAOYSA-N 1 2 217.276 1.866 20 0 BDADLO CCC[C@@H](O)CNc1cc(CC)[nH+]cn1 ZINC000123472701 371072350 /nfs/dbraw/zinc/07/23/50/371072350.db2.gz IWRVQVNLICJOMB-SNVBAGLBSA-N 1 2 209.293 1.612 20 0 BDADLO COc1ccc[nH+]c1N1CCSCC1 ZINC000623867036 371132873 /nfs/dbraw/zinc/13/28/73/371132873.db2.gz OWTJMIZZDKBAHA-UHFFFAOYSA-N 1 2 210.302 1.643 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC1CCCC1 ZINC000623906622 371149560 /nfs/dbraw/zinc/14/95/60/371149560.db2.gz WVLMRMDXTJLEPA-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C/C=C/CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000623908627 371151907 /nfs/dbraw/zinc/15/19/07/371151907.db2.gz JTQUOKPZPIIIMQ-VMZHVLLKSA-N 1 2 234.303 1.073 20 0 BDADLO CCc1cc(NCCOC(C)(C)C)nc[nH+]1 ZINC000390581578 371216823 /nfs/dbraw/zinc/21/68/23/371216823.db2.gz XAYQKWCIJKTHMN-UHFFFAOYSA-N 1 2 223.320 1.688 20 0 BDADLO CSCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280321662 371317845 /nfs/dbraw/zinc/31/78/45/371317845.db2.gz ZDVWJWSWZMXXIU-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO CSCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280321662 371317851 /nfs/dbraw/zinc/31/78/51/371317851.db2.gz ZDVWJWSWZMXXIU-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO C[C@H](Nc1cnn(CCF)c1)c1[nH+]ccn1C ZINC000624126388 371327164 /nfs/dbraw/zinc/32/71/64/371327164.db2.gz GGGZUISDRKAYBQ-VIFPVBQESA-N 1 2 237.282 1.759 20 0 BDADLO C[C@H](CO)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631072114 371337624 /nfs/dbraw/zinc/33/76/24/371337624.db2.gz ULANUENUDGOIHA-QMMMGPOBSA-N 1 2 246.314 1.298 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N(C)C[C@H](C)O)[nH+]1 ZINC000631072959 371340544 /nfs/dbraw/zinc/34/05/44/371340544.db2.gz HYSGSDKQPKVQKW-VIFPVBQESA-N 1 2 248.330 1.898 20 0 BDADLO CCC(F)(F)C[NH2+][C@H](C)CS(=O)(=O)CC ZINC000624147633 371341855 /nfs/dbraw/zinc/34/18/55/371341855.db2.gz GQRGRUVUERIESN-MRVPVSSYSA-N 1 2 243.319 1.445 20 0 BDADLO CCc1cc(NCC2CC=CC2)nc[nH+]1 ZINC000624490400 371520749 /nfs/dbraw/zinc/52/07/49/371520749.db2.gz AZSDADHAGPZDLJ-UHFFFAOYSA-N 1 2 203.289 1.839 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)[C@H]1CCCO1 ZINC000624515069 371524521 /nfs/dbraw/zinc/52/45/21/371524521.db2.gz BTJIRHFFWLHMKC-VHSXEESVSA-N 1 2 238.287 1.042 20 0 BDADLO CCc1nc(N2CC3(C2)CCCO3)cc(C)[nH+]1 ZINC000624543979 371537763 /nfs/dbraw/zinc/53/77/63/371537763.db2.gz YBZFNIVXLLEONB-UHFFFAOYSA-N 1 2 233.315 1.717 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C23CC(C2)C3)n1 ZINC000624553246 371540338 /nfs/dbraw/zinc/54/03/38/371540338.db2.gz YHGUKPRMVYGACS-UHFFFAOYSA-N 1 2 230.271 1.445 20 0 BDADLO Cc1ccc(CC(=O)N2CCc3[nH]c[nH+]c3C2)o1 ZINC000627370347 371587690 /nfs/dbraw/zinc/58/76/90/371587690.db2.gz WCXZYLLMSQIQDM-UHFFFAOYSA-N 1 2 245.282 1.439 20 0 BDADLO Cc1ccc(CC(=O)N2CCc3[nH+]c[nH]c3C2)o1 ZINC000627370347 371587691 /nfs/dbraw/zinc/58/76/91/371587691.db2.gz WCXZYLLMSQIQDM-UHFFFAOYSA-N 1 2 245.282 1.439 20 0 BDADLO O=C(C1=CCCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627371002 371588523 /nfs/dbraw/zinc/58/85/23/371588523.db2.gz SIDXFBPMUNHXNE-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO O=C(C1=CCCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627371002 371588526 /nfs/dbraw/zinc/58/85/26/371588526.db2.gz SIDXFBPMUNHXNE-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO O=C([C@H]1CCSC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627369254 371589164 /nfs/dbraw/zinc/58/91/64/371589164.db2.gz OXUSMNNKVOFTNY-QMMMGPOBSA-N 1 2 237.328 1.048 20 0 BDADLO O=C([C@H]1CCSC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627369254 371589167 /nfs/dbraw/zinc/58/91/67/371589167.db2.gz OXUSMNNKVOFTNY-QMMMGPOBSA-N 1 2 237.328 1.048 20 0 BDADLO CC1(C)CC[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000627371644 371590028 /nfs/dbraw/zinc/59/00/28/371590028.db2.gz MQWNPBLSASFIQB-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO CC1(C)CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000627371644 371590032 /nfs/dbraw/zinc/59/00/32/371590032.db2.gz MQWNPBLSASFIQB-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627508871 371669602 /nfs/dbraw/zinc/66/96/02/371669602.db2.gz ARKWQIONHZSVES-VXGBXAGGSA-N 1 2 247.342 1.765 20 0 BDADLO CCC[C@H](OCC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000627466151 371639237 /nfs/dbraw/zinc/63/92/37/371639237.db2.gz YKPYGGXJQVQPJO-ZJUUUORDSA-N 1 2 239.319 1.792 20 0 BDADLO COC1CC(C(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000627684947 371842574 /nfs/dbraw/zinc/84/25/74/371842574.db2.gz FDGGGKNYMLHBQO-UHFFFAOYSA-N 1 2 248.326 1.740 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC1CCCC1 ZINC000284251618 181835485 /nfs/dbraw/zinc/83/54/85/181835485.db2.gz CTCAAYRTOIKAQB-AATRIKPKSA-N 1 2 221.260 1.413 20 0 BDADLO FC1(F)CCC[C@H]1NCc1c[nH+]c[nH]1 ZINC000306596222 372043595 /nfs/dbraw/zinc/04/35/95/372043595.db2.gz YQDVZBJONHVVFW-MRVPVSSYSA-N 1 2 201.220 1.687 20 0 BDADLO FC1(F)CCC[C@H]1NCc1c[nH]c[nH+]1 ZINC000306596222 372043598 /nfs/dbraw/zinc/04/35/98/372043598.db2.gz YQDVZBJONHVVFW-MRVPVSSYSA-N 1 2 201.220 1.687 20 0 BDADLO COc1cccc(C[NH2+]Cc2ncc[nH]2)n1 ZINC000163948781 372081592 /nfs/dbraw/zinc/08/15/92/372081592.db2.gz XTHQNLFKTSGXFV-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1cccc(CNCc2[nH]cc[nH+]2)n1 ZINC000163948781 372081599 /nfs/dbraw/zinc/08/15/99/372081599.db2.gz XTHQNLFKTSGXFV-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO C/C=C/CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000627933536 372142874 /nfs/dbraw/zinc/14/28/74/372142874.db2.gz XCOONWCRRHRPLC-SNAWJCMRSA-N 1 2 247.298 1.329 20 0 BDADLO Cc1nc(N2CC[C@H](C)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631179650 372220061 /nfs/dbraw/zinc/22/00/61/372220061.db2.gz XBACLSXOLJWLQG-DTWKUNHWSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000631179650 372220068 /nfs/dbraw/zinc/22/00/68/372220068.db2.gz XBACLSXOLJWLQG-DTWKUNHWSA-N 1 2 235.335 1.465 20 0 BDADLO CN(C)c1c[nH+]cc(NCC2=CCCOC2)c1 ZINC000631203253 372233647 /nfs/dbraw/zinc/23/36/47/372233647.db2.gz LSNPEYKXXUAHKN-UHFFFAOYSA-N 1 2 233.315 1.906 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@H]2CCOC2)c1 ZINC000631204265 372234968 /nfs/dbraw/zinc/23/49/68/372234968.db2.gz YFLFAWDLWGISAE-VIFPVBQESA-N 1 2 207.277 1.348 20 0 BDADLO O=C(CC(F)(F)F)NCCc1[nH]cc[nH+]1 ZINC000128730821 181881244 /nfs/dbraw/zinc/88/12/44/181881244.db2.gz CBCSMTLOIXKYBS-UHFFFAOYSA-N 1 2 221.182 1.021 20 0 BDADLO CC[C@H](Nc1nc(C)[nH+]c(N)n1)[C@@H]1CC1(C)C ZINC000631315976 372291913 /nfs/dbraw/zinc/29/19/13/372291913.db2.gz ZMMSPFIJKXELNI-IUCAKERBSA-N 1 2 235.335 1.829 20 0 BDADLO CC[C@H](Nc1nc(N)nc(C)[nH+]1)[C@@H]1CC1(C)C ZINC000631315976 372291917 /nfs/dbraw/zinc/29/19/17/372291917.db2.gz ZMMSPFIJKXELNI-IUCAKERBSA-N 1 2 235.335 1.829 20 0 BDADLO Cn1c[nH+]cc1CNc1cnn2c1CCCC2 ZINC000631231764 372251128 /nfs/dbraw/zinc/25/11/28/372251128.db2.gz VUNHPGODPWQGIW-UHFFFAOYSA-N 1 2 231.303 1.565 20 0 BDADLO C[C@H]([NH2+]Cc1cscn1)[C@H](O)C(F)(F)F ZINC000631233013 372253161 /nfs/dbraw/zinc/25/31/61/372253161.db2.gz WFCABOFQZFOBTA-FSPLSTOPSA-N 1 2 240.250 1.544 20 0 BDADLO COC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000066387681 372275313 /nfs/dbraw/zinc/27/53/13/372275313.db2.gz DDHVFMZXOJFUSF-UHFFFAOYSA-N 1 2 235.287 1.724 20 0 BDADLO Cc1nocc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000631423987 372353293 /nfs/dbraw/zinc/35/32/93/372353293.db2.gz IIPWWNTWMRSOHQ-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO O[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]c(C3CC3)n1)C2 ZINC000631519974 372406673 /nfs/dbraw/zinc/40/66/73/372406673.db2.gz DVGXDUQPVUXAKY-ADEWGFFLSA-N 1 2 245.326 1.704 20 0 BDADLO O=C(C[C@@H]1CCCO1)Nc1ccn2cc[nH+]c2c1 ZINC000281283958 182020146 /nfs/dbraw/zinc/02/01/46/182020146.db2.gz XFRLACSLPBGULX-NSHDSACASA-N 1 2 245.282 1.842 20 0 BDADLO O=C(C[C@H]1C=CCCC1)NCCn1cc[nH+]c1 ZINC000186204578 182026127 /nfs/dbraw/zinc/02/61/27/182026127.db2.gz VWBVHAMCBMZYIK-LBPRGKRZSA-N 1 2 233.315 1.746 20 0 BDADLO COC[C@H](C)n1ccc(NCc2c[nH+]cn2C)n1 ZINC000189862674 259560544 /nfs/dbraw/zinc/56/05/44/259560544.db2.gz JOFYOLKLRWDYHE-JTQLQIEISA-N 1 2 249.318 1.436 20 0 BDADLO O=C(Cc1ccsc1)N1CCn2c[nH+]cc2C1 ZINC000290892090 182057694 /nfs/dbraw/zinc/05/76/94/182057694.db2.gz FWVPLWXMRCGQQX-UHFFFAOYSA-N 1 2 247.323 1.530 20 0 BDADLO Cc1nc(N(C)[C@H](C)C(C)C)nc(N)[nH+]1 ZINC000379902061 373086281 /nfs/dbraw/zinc/08/62/81/373086281.db2.gz ISCKERGWZDFXPR-SSDOTTSWSA-N 1 2 209.297 1.073 20 0 BDADLO Cc1nc(N)nc(N(C)[C@H](C)C(C)C)[nH+]1 ZINC000379902061 373086292 /nfs/dbraw/zinc/08/62/92/373086292.db2.gz ISCKERGWZDFXPR-SSDOTTSWSA-N 1 2 209.297 1.073 20 0 BDADLO CCN1C(=O)c2ccccc2N[C@H]1c1c[nH]c[nH+]1 ZINC000172854694 373095067 /nfs/dbraw/zinc/09/50/67/373095067.db2.gz HHZYLHYLGLOATE-GFCCVEGCSA-N 1 2 242.282 1.996 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(CC1CC1)CC1CCC1 ZINC000279867888 182069908 /nfs/dbraw/zinc/06/99/08/182069908.db2.gz AQCGCAYAFBYLGL-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1CCC1 ZINC000632878156 373203711 /nfs/dbraw/zinc/20/37/11/373203711.db2.gz HUDXAGAPYMLFLG-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCSC1 ZINC000633059518 373274411 /nfs/dbraw/zinc/27/44/11/373274411.db2.gz QUWQDKWGXHYNAM-QMMMGPOBSA-N 1 2 240.332 1.057 20 0 BDADLO Cc1ccc(CNC(=O)NCc2[nH+]ccn2C)o1 ZINC000633033880 373256979 /nfs/dbraw/zinc/25/69/79/373256979.db2.gz RQZPXVLYNZSXTH-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)c1ccncc1)c1[nH]cc[nH+]1 ZINC000633171990 373321300 /nfs/dbraw/zinc/32/13/00/373321300.db2.gz VVRFDZIPOQANSO-NXEZZACHSA-N 1 2 244.298 1.786 20 0 BDADLO Cc1nnsc1C(=O)Nc1cc[nH+]cc1C ZINC000190516635 259565314 /nfs/dbraw/zinc/56/53/14/259565314.db2.gz GWHLEMBDCHTXAT-UHFFFAOYSA-N 1 2 234.284 1.802 20 0 BDADLO CC[C@H](O)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000633286196 373450953 /nfs/dbraw/zinc/45/09/53/373450953.db2.gz DNVUKLRPQHAOQM-UWVGGRQHSA-N 1 2 239.319 1.241 20 0 BDADLO Cc1nocc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000633322681 373476136 /nfs/dbraw/zinc/47/61/36/373476136.db2.gz AXAQAIKTNRRDDN-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2CSC2)c[nH+]1 ZINC000633360312 373495477 /nfs/dbraw/zinc/49/54/77/373495477.db2.gz GEUCRXWSMURVHE-UHFFFAOYSA-N 1 2 236.340 1.678 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)F ZINC000633721972 373713477 /nfs/dbraw/zinc/71/34/77/373713477.db2.gz NZQZHTAUIVUUJS-UHFFFAOYSA-N 1 2 227.283 1.217 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)F ZINC000633720536 373708659 /nfs/dbraw/zinc/70/86/59/373708659.db2.gz OOWHKJASVKTZGO-MRVPVSSYSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)F ZINC000633720536 373708663 /nfs/dbraw/zinc/70/86/63/373708663.db2.gz OOWHKJASVKTZGO-MRVPVSSYSA-N 1 2 227.283 1.453 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1cocn1 ZINC000136156041 182169794 /nfs/dbraw/zinc/16/97/94/182169794.db2.gz VFXBGZYPVHCDQU-UHFFFAOYSA-N 1 2 246.270 1.302 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000354264436 182179505 /nfs/dbraw/zinc/17/95/05/182179505.db2.gz JWIRQUKKQQJKAJ-SNVBAGLBSA-N 1 2 239.344 1.143 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000634090507 373959039 /nfs/dbraw/zinc/95/90/39/373959039.db2.gz OSWSLIUUWGBBRW-GWCFXTLKSA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000634090507 373959045 /nfs/dbraw/zinc/95/90/45/373959045.db2.gz OSWSLIUUWGBBRW-GWCFXTLKSA-N 1 2 233.315 1.710 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000634094614 373962797 /nfs/dbraw/zinc/96/27/97/373962797.db2.gz NUWAYXQFJORLQT-GWCFXTLKSA-N 1 2 233.315 1.412 20 0 BDADLO NC(=O)C1([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC000189363198 205861519 /nfs/dbraw/zinc/86/15/19/205861519.db2.gz AHOMLNLAQADLCO-UHFFFAOYSA-N 1 2 242.681 1.587 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCCCCC1 ZINC000043312149 182215268 /nfs/dbraw/zinc/21/52/68/182215268.db2.gz WQYZLBKBAYACMJ-UHFFFAOYSA-N 1 2 236.319 1.469 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000634313334 374166105 /nfs/dbraw/zinc/16/61/05/374166105.db2.gz XMUWYXRGDZUVFU-VIFPVBQESA-N 1 2 247.298 1.806 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000634313334 374166111 /nfs/dbraw/zinc/16/61/11/374166111.db2.gz XMUWYXRGDZUVFU-VIFPVBQESA-N 1 2 247.298 1.806 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)(F)CC1 ZINC000634360699 374201917 /nfs/dbraw/zinc/20/19/17/374201917.db2.gz XUBZNYZSCHYEMB-UHFFFAOYSA-N 1 2 239.294 1.611 20 0 BDADLO C[C@H](CC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC000634367402 374211998 /nfs/dbraw/zinc/21/19/98/374211998.db2.gz IIBBWCOQLHTWJO-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCC(F)(F)C1 ZINC000305914570 182248124 /nfs/dbraw/zinc/24/81/24/182248124.db2.gz ARGJKZHUFDUZLI-MRVPVSSYSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCC(F)(F)C1 ZINC000305914570 182248128 /nfs/dbraw/zinc/24/81/28/182248128.db2.gz ARGJKZHUFDUZLI-MRVPVSSYSA-N 1 2 243.257 1.851 20 0 BDADLO C[C@@H](CC1CCC1)NC(=O)Cc1c[nH+]cn1C ZINC000634370124 374219211 /nfs/dbraw/zinc/21/92/11/374219211.db2.gz PLAIJULRFSVHOR-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO CC(C)C[C@H]1CC[N@H+](Cc2nnn(C)n2)C1 ZINC000193402137 205984679 /nfs/dbraw/zinc/98/46/79/205984679.db2.gz MCAHMAXUBORPKK-SNVBAGLBSA-N 1 2 223.324 1.078 20 0 BDADLO CC(C)C[C@H]1CC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193402137 205984685 /nfs/dbraw/zinc/98/46/85/205984685.db2.gz MCAHMAXUBORPKK-SNVBAGLBSA-N 1 2 223.324 1.078 20 0 BDADLO O=C(N[C@@H]1CCCOC1)c1ccc2[nH+]ccn2c1 ZINC000171674802 182296591 /nfs/dbraw/zinc/29/65/91/182296591.db2.gz OBAUCXOTXIZLCU-LLVKDONJSA-N 1 2 245.282 1.243 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000332801572 182313392 /nfs/dbraw/zinc/31/33/92/182313392.db2.gz YBZMCFZIWRAPGF-DNJQJEMRSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000332801572 182313395 /nfs/dbraw/zinc/31/33/95/182313395.db2.gz YBZMCFZIWRAPGF-DNJQJEMRSA-N 1 2 245.326 1.429 20 0 BDADLO COCCOC1C[NH+](Cc2cccnc2C)C1 ZINC000459462085 206126916 /nfs/dbraw/zinc/12/69/16/206126916.db2.gz LANQZYYUZGPPGZ-UHFFFAOYSA-N 1 2 236.315 1.237 20 0 BDADLO CC[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000457406555 206121733 /nfs/dbraw/zinc/12/17/33/206121733.db2.gz NRLGJXJLVADIIK-SECBINFHSA-N 1 2 224.308 1.060 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC=CCC1 ZINC000332857704 182343134 /nfs/dbraw/zinc/34/31/34/182343134.db2.gz OHQKZAXNXWHZTN-MNOVXSKESA-N 1 2 245.326 1.740 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC=CCC1 ZINC000332857704 182343136 /nfs/dbraw/zinc/34/31/36/182343136.db2.gz OHQKZAXNXWHZTN-MNOVXSKESA-N 1 2 245.326 1.740 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)F)[C@@H]1SC ZINC000459545439 206133299 /nfs/dbraw/zinc/13/32/99/206133299.db2.gz LKOVNSOMDOSIFI-OOZYFLPDSA-N 1 2 225.304 1.750 20 0 BDADLO O=C(Nc1ccc(F)nc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368485499 182360252 /nfs/dbraw/zinc/36/02/52/182360252.db2.gz IKOIXQDSPPDYAV-ZETCQYMHSA-N 1 2 245.204 1.156 20 0 BDADLO O=C(Nc1cccc2c[nH]nc21)[C@H]1CSC[NH2+]1 ZINC000037044412 182372705 /nfs/dbraw/zinc/37/27/05/182372705.db2.gz PDEDXAYLVRPHBX-SECBINFHSA-N 1 2 248.311 1.164 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C1CCOCC1 ZINC000266131760 182374121 /nfs/dbraw/zinc/37/41/21/182374121.db2.gz CHNVPYPGHMCYTF-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)C1=CCC1 ZINC000336279294 182391940 /nfs/dbraw/zinc/39/19/40/182391940.db2.gz OULPKGXDYCNRNE-UHFFFAOYSA-N 1 2 217.272 1.878 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCCO1 ZINC000280670766 182385171 /nfs/dbraw/zinc/38/51/71/182385171.db2.gz BMAWOLLYEXZPRL-LLVKDONJSA-N 1 2 245.282 1.842 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCOC1 ZINC000280837664 182385609 /nfs/dbraw/zinc/38/56/09/182385609.db2.gz VAEMYUSHNFYUKU-SECBINFHSA-N 1 2 231.255 1.309 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCCC[C@H]1OC ZINC000037472599 170226844 /nfs/dbraw/zinc/22/68/44/170226844.db2.gz UQBXMUJPGFDIAD-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO OC1(c2ccccc2)C[NH+](C[C@@H]2CCC=CO2)C1 ZINC000291650923 183022908 /nfs/dbraw/zinc/02/29/08/183022908.db2.gz UOUZQILZCBABKN-AWEZNQCLSA-N 1 2 245.322 1.883 20 0 BDADLO O=C1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CN1 ZINC000330148895 183025632 /nfs/dbraw/zinc/02/56/32/183025632.db2.gz UWFJMCRNMWYWBW-VIFPVBQESA-N 1 2 247.302 1.218 20 0 BDADLO O=C1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CN1 ZINC000330148895 183025636 /nfs/dbraw/zinc/02/56/36/183025636.db2.gz UWFJMCRNMWYWBW-VIFPVBQESA-N 1 2 247.302 1.218 20 0 BDADLO OCC1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000084988895 183041556 /nfs/dbraw/zinc/04/15/56/183041556.db2.gz FYZDHMWNYLGCRG-UHFFFAOYSA-N 1 2 212.680 1.159 20 0 BDADLO OCC1(CNc2cc[nH+]c3ccncc23)COC1 ZINC000269451483 183036810 /nfs/dbraw/zinc/03/68/10/183036810.db2.gz DWPOWASXPXWLJC-UHFFFAOYSA-N 1 2 245.282 1.051 20 0 BDADLO OCCCSCCCn1cc[nH+]c1 ZINC000085163937 183061765 /nfs/dbraw/zinc/06/17/65/183061765.db2.gz UBPIZYALTSUCPX-UHFFFAOYSA-N 1 2 200.307 1.389 20 0 BDADLO OCC[N@H+](Cc1c(F)ccc(O)c1F)C1CC1 ZINC000295481918 183067551 /nfs/dbraw/zinc/06/75/51/183067551.db2.gz XEWOTJMCNYHSTA-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO OCC[N@@H+](Cc1c(F)ccc(O)c1F)C1CC1 ZINC000295481918 183067554 /nfs/dbraw/zinc/06/75/54/183067554.db2.gz XEWOTJMCNYHSTA-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO OCCN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000128710710 183072258 /nfs/dbraw/zinc/07/22/58/183072258.db2.gz ILJLTTIVDXBGDW-UHFFFAOYSA-N 1 2 219.288 1.315 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125356178 183074176 /nfs/dbraw/zinc/07/41/76/183074176.db2.gz XRXLTBDTOAOJFI-SNVBAGLBSA-N 1 2 213.302 1.114 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125356178 183074180 /nfs/dbraw/zinc/07/41/80/183074180.db2.gz XRXLTBDTOAOJFI-SNVBAGLBSA-N 1 2 213.302 1.114 20 0 BDADLO OCC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295653820 183076289 /nfs/dbraw/zinc/07/62/89/183076289.db2.gz HQKHNBNFZYSTBX-UHFFFAOYSA-N 1 2 229.682 1.830 20 0 BDADLO OCC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295653820 183076290 /nfs/dbraw/zinc/07/62/90/183076290.db2.gz HQKHNBNFZYSTBX-UHFFFAOYSA-N 1 2 229.682 1.830 20 0 BDADLO OCC[C@H](NCc1[nH]cc[nH+]1)c1ccco1 ZINC000309487359 183096663 /nfs/dbraw/zinc/09/66/63/183096663.db2.gz GYANQBHRAFAUHM-VIFPVBQESA-N 1 2 221.260 1.216 20 0 BDADLO OCC[C@H]([NH2+]Cc1ncc[nH]1)c1ccco1 ZINC000309487359 183096664 /nfs/dbraw/zinc/09/66/64/183096664.db2.gz GYANQBHRAFAUHM-VIFPVBQESA-N 1 2 221.260 1.216 20 0 BDADLO OCC[N@H+](Cc1cccnc1Cl)C1CC1 ZINC000052709806 183069227 /nfs/dbraw/zinc/06/92/27/183069227.db2.gz CMWVICPTAMTEBJ-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO OCC[N@@H+](Cc1cccnc1Cl)C1CC1 ZINC000052709806 183069231 /nfs/dbraw/zinc/06/92/31/183069231.db2.gz CMWVICPTAMTEBJ-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(=O)OC ZINC000191710685 169012971 /nfs/dbraw/zinc/01/29/71/169012971.db2.gz VJFDTGIWCJDJTC-DCAQKATOSA-N 1 2 231.336 1.731 20 0 BDADLO OC[C@@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000063000698 183109261 /nfs/dbraw/zinc/10/92/61/183109261.db2.gz UQGZYENQJVPARN-GFCCVEGCSA-N 1 2 234.324 1.966 20 0 BDADLO OC[C@@]1(F)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000338417201 183134434 /nfs/dbraw/zinc/13/44/34/183134434.db2.gz BUKVZQKGHOQLHE-GFCCVEGCSA-N 1 2 237.278 1.265 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000289516752 183124970 /nfs/dbraw/zinc/12/49/70/183124970.db2.gz FTJULTNXPAONGX-SSDOTTSWSA-N 1 2 232.736 1.611 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000289516752 183124974 /nfs/dbraw/zinc/12/49/74/183124974.db2.gz FTJULTNXPAONGX-SSDOTTSWSA-N 1 2 232.736 1.611 20 0 BDADLO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000367627599 183147545 /nfs/dbraw/zinc/14/75/45/183147545.db2.gz UNVISNAJAPIOPW-UMNHJUIQSA-N 1 2 233.315 1.314 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2ccccn2)C1 ZINC000286747684 183158297 /nfs/dbraw/zinc/15/82/97/183158297.db2.gz FAIMTVJEYAVJEK-LBPRGKRZSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2ccccn2)C1 ZINC000286747684 183158299 /nfs/dbraw/zinc/15/82/99/183158299.db2.gz FAIMTVJEYAVJEK-LBPRGKRZSA-N 1 2 224.279 1.378 20 0 BDADLO O[C@@H](C[N@@H+]1CCOCC12CC2)CC(F)(F)F ZINC000338592308 183177301 /nfs/dbraw/zinc/17/73/01/183177301.db2.gz KNGJJNKHDBHVQJ-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@@H](C[N@H+]1CCOCC12CC2)CC(F)(F)F ZINC000338592308 183177302 /nfs/dbraw/zinc/17/73/02/183177302.db2.gz KNGJJNKHDBHVQJ-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000368634448 183177886 /nfs/dbraw/zinc/17/78/86/183177886.db2.gz DAQIWCYVDQULDN-RWMBFGLXSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@@H]2C[C@@H]21)c1ccc(F)cc1 ZINC000368634448 183177888 /nfs/dbraw/zinc/17/78/88/183177888.db2.gz DAQIWCYVDQULDN-RWMBFGLXSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@@H](C2CC2)C1)C(F)(F)F ZINC000362564518 183178342 /nfs/dbraw/zinc/17/83/42/183178342.db2.gz LNKSXEGBSNBVEL-BDAKNGLRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@@H](C2CC2)C1)C(F)(F)F ZINC000362564518 183178344 /nfs/dbraw/zinc/17/83/44/183178344.db2.gz LNKSXEGBSNBVEL-BDAKNGLRSA-N 1 2 239.237 1.020 20 0 BDADLO OCc1cccc(NCc2cccnc2)[nH+]1 ZINC000336685732 183168173 /nfs/dbraw/zinc/16/81/73/183168173.db2.gz SICVOBWRQWWFQS-UHFFFAOYSA-N 1 2 215.256 1.581 20 0 BDADLO OCc1c[nH+]c2cc(Br)ccn12 ZINC000082695013 183169305 /nfs/dbraw/zinc/16/93/05/183169305.db2.gz RGKSLSQYFVWEBA-UHFFFAOYSA-N 1 2 227.061 1.589 20 0 BDADLO O[C@@H]1CCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000277061954 183199101 /nfs/dbraw/zinc/19/91/01/183199101.db2.gz HXSBEKFLIDNJKN-CHWSQXEVSA-N 1 2 229.283 1.955 20 0 BDADLO O[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000061707589 183199517 /nfs/dbraw/zinc/19/95/17/183199517.db2.gz OMJNLMLEQFFMCQ-MRVPVSSYSA-N 1 2 203.245 1.134 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccncc1C ZINC000294535507 169101257 /nfs/dbraw/zinc/10/12/57/169101257.db2.gz HXQPRSXZZGBVBZ-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccncc1C ZINC000294535507 169101259 /nfs/dbraw/zinc/10/12/59/169101259.db2.gz HXQPRSXZZGBVBZ-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO O[C@@]1(C[NH2+]Cc2ccn[nH]2)CCc2ccccc21 ZINC000269763727 183217022 /nfs/dbraw/zinc/21/70/22/183217022.db2.gz CXTZOGIFNMPKSG-CQSZACIVSA-N 1 2 243.310 1.333 20 0 BDADLO O[C@@]1(CNc2cc[nH+]c3ccncc23)CCOC1 ZINC000270039915 183217053 /nfs/dbraw/zinc/21/70/53/183217053.db2.gz ZSEPEYRFTUREKC-CYBMUJFWSA-N 1 2 245.282 1.193 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000310298145 169110146 /nfs/dbraw/zinc/11/01/46/169110146.db2.gz AZMGUWSFUMXEEN-UHFFFAOYSA-N 1 2 240.278 1.229 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cc(O)cc(F)c1 ZINC000310298145 169110148 /nfs/dbraw/zinc/11/01/48/169110148.db2.gz AZMGUWSFUMXEEN-UHFFFAOYSA-N 1 2 240.278 1.229 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1O ZINC000093483583 183243885 /nfs/dbraw/zinc/24/38/85/183243885.db2.gz CPMFETLHNZPDBZ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@@H]1O ZINC000093483583 183243887 /nfs/dbraw/zinc/24/38/87/183243887.db2.gz CPMFETLHNZPDBZ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1O ZINC000093483931 183243944 /nfs/dbraw/zinc/24/39/44/183243944.db2.gz JTHNCFACQDYDJD-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1O ZINC000093483931 183243947 /nfs/dbraw/zinc/24/39/47/183243947.db2.gz JTHNCFACQDYDJD-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1c2ccccc2OC[C@@H]1Nc1cccc[nH+]1 ZINC000377179492 183250740 /nfs/dbraw/zinc/25/07/40/183250740.db2.gz NKVHZNMLCIYQNH-FZMZJTMJSA-N 1 2 242.278 1.988 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@H](O)C2)c1F ZINC000281033256 183273409 /nfs/dbraw/zinc/27/34/09/183273409.db2.gz PJCGVEGQMWWNAO-ZETCQYMHSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@H](O)C2)c1F ZINC000281033256 183273410 /nfs/dbraw/zinc/27/34/10/183273410.db2.gz PJCGVEGQMWWNAO-ZETCQYMHSA-N 1 2 229.226 1.237 20 0 BDADLO CCCN(CCO)C(=O)c1ccc2[nH+]ccn2c1 ZINC000270489214 169164009 /nfs/dbraw/zinc/16/40/09/169164009.db2.gz LVDBGGYEPKQYNU-UHFFFAOYSA-N 1 2 247.298 1.179 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C)s1 ZINC000358639018 169166900 /nfs/dbraw/zinc/16/69/00/169166900.db2.gz YQGMEBYSQTWCPR-UHFFFAOYSA-N 1 2 215.322 1.051 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C)s1 ZINC000358639018 169166903 /nfs/dbraw/zinc/16/69/03/169166903.db2.gz YQGMEBYSQTWCPR-UHFFFAOYSA-N 1 2 215.322 1.051 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CCC1CCCC1)C2 ZINC000336562480 183310042 /nfs/dbraw/zinc/31/00/42/183310042.db2.gz QYYWSXFWLAJJFE-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CCC1CCCC1)C2 ZINC000336562480 183310044 /nfs/dbraw/zinc/31/00/44/183310044.db2.gz QYYWSXFWLAJJFE-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=C1N=NC2C[N@H+](CCC3CCCC3)CCN12 ZINC000336562480 183310047 /nfs/dbraw/zinc/31/00/47/183310047.db2.gz QYYWSXFWLAJJFE-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=C1N=NC2C[N@@H+](CCC3CCCC3)CCN12 ZINC000336562480 183310049 /nfs/dbraw/zinc/31/00/49/183310049.db2.gz QYYWSXFWLAJJFE-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356100895 169223691 /nfs/dbraw/zinc/22/36/91/169223691.db2.gz TYDARBFENSHDOW-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000356100895 169223692 /nfs/dbraw/zinc/22/36/92/169223692.db2.gz TYDARBFENSHDOW-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361603509 169223940 /nfs/dbraw/zinc/22/39/40/169223940.db2.gz QIJZGBVGIORQIZ-UHFFFAOYSA-N 1 2 232.327 1.837 20 0 BDADLO CCCNC(=O)C[N@H+]1Cc2ccc(C)cc2C1 ZINC000361603509 169223941 /nfs/dbraw/zinc/22/39/41/169223941.db2.gz QIJZGBVGIORQIZ-UHFFFAOYSA-N 1 2 232.327 1.837 20 0 BDADLO CCCNC(=O)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000293876416 169229385 /nfs/dbraw/zinc/22/93/85/169229385.db2.gz FIRQRVOYQGDCRI-UWVGGRQHSA-N 1 2 236.319 1.005 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000184584481 169229744 /nfs/dbraw/zinc/22/97/44/169229744.db2.gz BFSFDSFBLLHUED-SNVBAGLBSA-N 1 2 240.303 1.083 20 0 BDADLO c1cc2c(c(C[N@@H+]3CCOCC34CC4)c1)OCO2 ZINC000339001876 183344770 /nfs/dbraw/zinc/34/47/70/183344770.db2.gz ZSKNMMWOZCFFAH-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO c1cc2c(c(C[N@H+]3CCOCC34CC4)c1)OCO2 ZINC000339001876 183344771 /nfs/dbraw/zinc/34/47/71/183344771.db2.gz ZSKNMMWOZCFFAH-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154332183 169212508 /nfs/dbraw/zinc/21/25/08/169212508.db2.gz AUEKLYCWRMPVFP-UHFFFAOYSA-N 1 2 235.287 1.163 20 0 BDADLO CCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336377509 169235452 /nfs/dbraw/zinc/23/54/52/169235452.db2.gz LOVGFEJITJXZJS-SNVBAGLBSA-N 1 2 236.319 1.329 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCc2ncccc2C1 ZINC000367856619 169246869 /nfs/dbraw/zinc/24/68/69/169246869.db2.gz DEBXNASWNJTQFI-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCc2ncccc2C1 ZINC000367856619 169246870 /nfs/dbraw/zinc/24/68/70/169246870.db2.gz DEBXNASWNJTQFI-NSHDSACASA-N 1 2 247.342 1.354 20 0 BDADLO c1cc(OCc2nc(C3CC3)no2)cc[nH+]1 ZINC000292394060 183360888 /nfs/dbraw/zinc/36/08/88/183360888.db2.gz HYNFBBVQOUMAEZ-UHFFFAOYSA-N 1 2 217.228 1.921 20 0 BDADLO CCCOC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000153416081 169298771 /nfs/dbraw/zinc/29/87/71/169298771.db2.gz ZUYUCPUKQOJWAP-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO CCCOCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000155114386 169301295 /nfs/dbraw/zinc/30/12/95/169301295.db2.gz FBDVACGUICRZKS-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356577159 169350108 /nfs/dbraw/zinc/35/01/08/169350108.db2.gz GBCPKOGGPPBPBR-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356577159 169350110 /nfs/dbraw/zinc/35/01/10/169350110.db2.gz GBCPKOGGPPBPBR-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358407090 169352398 /nfs/dbraw/zinc/35/23/98/169352398.db2.gz FAKRPXPPKADLJU-NXEZZACHSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358407090 169352399 /nfs/dbraw/zinc/35/23/99/169352399.db2.gz FAKRPXPPKADLJU-NXEZZACHSA-N 1 2 235.331 1.819 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cc2noc(COC)n2)C1 ZINC000182387575 134345189 /nfs/dbraw/zinc/34/51/89/134345189.db2.gz WUIGQHDSPPBIBA-SNVBAGLBSA-N 1 2 239.319 1.838 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cc2noc(COC)n2)C1 ZINC000182387575 134345190 /nfs/dbraw/zinc/34/51/90/134345190.db2.gz WUIGQHDSPPBIBA-SNVBAGLBSA-N 1 2 239.319 1.838 20 0 BDADLO CC[C@@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336140705 535458307 /nfs/dbraw/zinc/45/83/07/535458307.db2.gz NNTJVLPOOHNRSI-MNOVXSKESA-N 1 2 235.331 1.782 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000227091228 535458775 /nfs/dbraw/zinc/45/87/75/535458775.db2.gz VNUMLHVWAGFYMG-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000227091228 535458779 /nfs/dbraw/zinc/45/87/79/535458779.db2.gz VNUMLHVWAGFYMG-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225326691 134354346 /nfs/dbraw/zinc/35/43/46/134354346.db2.gz MORMMRYIADTFNA-RXMQYKEDSA-N 1 2 233.724 1.021 20 0 BDADLO CCC(=O)CCCSCC[NH+]1CCOCC1 ZINC000183865757 134356964 /nfs/dbraw/zinc/35/69/64/134356964.db2.gz NXNGOBYHNPBCBS-UHFFFAOYSA-N 1 2 245.388 1.811 20 0 BDADLO CCN(C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000170671644 169643050 /nfs/dbraw/zinc/64/30/50/169643050.db2.gz JEADTJWFCQTQGJ-UHFFFAOYSA-N 1 2 238.335 1.713 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CCCS2)c[nH+]1 ZINC000069986801 383856535 /nfs/dbraw/zinc/85/65/35/383856535.db2.gz XLTFXWCPPLVUAI-QMMMGPOBSA-N 1 2 223.301 1.498 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152543817 383880490 /nfs/dbraw/zinc/88/04/90/383880490.db2.gz VEPSZFLLVUQURU-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1c(Cl)cnc1C[NH+]1CCC(C)(O)CC1 ZINC000087781184 383864897 /nfs/dbraw/zinc/86/48/97/383864897.db2.gz WWAZVJZQTSHANW-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000000512976 383872339 /nfs/dbraw/zinc/87/23/39/383872339.db2.gz TXXICZCKEFNWIP-SECBINFHSA-N 1 2 219.288 1.756 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000066666168 383878400 /nfs/dbraw/zinc/87/84/00/383878400.db2.gz YHSUJQPJWCIAET-GFCCVEGCSA-N 1 2 233.315 1.038 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000066666168 383878412 /nfs/dbraw/zinc/87/84/12/383878412.db2.gz YHSUJQPJWCIAET-GFCCVEGCSA-N 1 2 233.315 1.038 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](CO)C2)no1 ZINC000050104548 383911814 /nfs/dbraw/zinc/91/18/14/383911814.db2.gz BSJSRYAURCNRIS-JTQLQIEISA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@H](CO)C2)no1 ZINC000050104548 383911822 /nfs/dbraw/zinc/91/18/22/383911822.db2.gz BSJSRYAURCNRIS-JTQLQIEISA-N 1 2 239.319 1.397 20 0 BDADLO COC[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234733815 383882073 /nfs/dbraw/zinc/88/20/73/383882073.db2.gz IMTYBVFFXKLPOJ-ZETCQYMHSA-N 1 2 242.710 1.185 20 0 BDADLO COC[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000234733815 383882077 /nfs/dbraw/zinc/88/20/77/383882077.db2.gz IMTYBVFFXKLPOJ-ZETCQYMHSA-N 1 2 242.710 1.185 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1COCC1(C)C ZINC000313106206 383886511 /nfs/dbraw/zinc/88/65/11/383886511.db2.gz JGZXYPYHAHKLNF-SNVBAGLBSA-N 1 2 209.293 1.233 20 0 BDADLO CC(C)(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068390871 383990764 /nfs/dbraw/zinc/99/07/64/383990764.db2.gz LFKDJWFXTKHBPE-UHFFFAOYSA-N 1 2 217.272 1.863 20 0 BDADLO Cc1cnc(C[N@@H+](C(C)C)C2COC2)cn1 ZINC000449352902 383936178 /nfs/dbraw/zinc/93/61/78/383936178.db2.gz YZVRWYAWGBOIDM-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@H+](C(C)C)C2COC2)cn1 ZINC000449352902 383936181 /nfs/dbraw/zinc/93/61/81/383936181.db2.gz YZVRWYAWGBOIDM-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO CC(C)(C)SCC(=O)NCc1[nH]cc[nH+]1 ZINC000070651645 383950922 /nfs/dbraw/zinc/95/09/22/383950922.db2.gz GXUZYOBWXQDLJJ-UHFFFAOYSA-N 1 2 227.333 1.558 20 0 BDADLO COC(=O)[C@H](CNc1cc[nH+]c(C)n1)CC1CC1 ZINC000569369281 383958139 /nfs/dbraw/zinc/95/81/39/383958139.db2.gz XBLIJIGOGGKZNC-NSHDSACASA-N 1 2 249.314 1.208 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OCC(F)(F)F ZINC000290298688 383964248 /nfs/dbraw/zinc/96/42/48/383964248.db2.gz XCPUEIOOLAVFAH-UHFFFAOYSA-N 1 2 237.181 1.209 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC1CC1 ZINC000115334109 384019002 /nfs/dbraw/zinc/01/90/02/384019002.db2.gz QTRCLPQMZJVBBR-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1noc(C[NH2+][C@H](C)c2cccc(O)c2)n1 ZINC000038034400 384060908 /nfs/dbraw/zinc/06/09/08/384060908.db2.gz FYMRGKSBAXXCNV-MRVPVSSYSA-N 1 2 233.271 1.934 20 0 BDADLO CS[C@H](CO)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000078296303 384061694 /nfs/dbraw/zinc/06/16/94/384061694.db2.gz FHIDNEUYWLOPBG-IONNQARKSA-N 1 2 227.333 1.309 20 0 BDADLO CC[N@H+](CCOCCC(C)C)CC(=O)OC ZINC000049949422 384071037 /nfs/dbraw/zinc/07/10/37/384071037.db2.gz JFBBBQSVNKGOPU-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO CC[N@@H+](CCOCCC(C)C)CC(=O)OC ZINC000049949422 384071042 /nfs/dbraw/zinc/07/10/42/384071042.db2.gz JFBBBQSVNKGOPU-UHFFFAOYSA-N 1 2 231.336 1.544 20 0 BDADLO Cc1cnc(C)nc1N(C)CCCn1cc[nH+]c1 ZINC000569473240 384098952 /nfs/dbraw/zinc/09/89/52/384098952.db2.gz WKTKRJBEIHLRAD-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO COC(=O)C[N@H+](C/C=C/Cl)C(C)C ZINC000050063499 384104446 /nfs/dbraw/zinc/10/44/46/384104446.db2.gz YCXZIPLTJNYLGA-SNAWJCMRSA-N 1 2 205.685 1.622 20 0 BDADLO COC(=O)C[N@@H+](C/C=C/Cl)C(C)C ZINC000050063499 384104452 /nfs/dbraw/zinc/10/44/52/384104452.db2.gz YCXZIPLTJNYLGA-SNAWJCMRSA-N 1 2 205.685 1.622 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H]1CO ZINC000050114267 384112289 /nfs/dbraw/zinc/11/22/89/384112289.db2.gz KKIWBXVFNQGSAC-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H]1CO ZINC000050114267 384112293 /nfs/dbraw/zinc/11/22/93/384112293.db2.gz KKIWBXVFNQGSAC-QMMMGPOBSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@@H]1C[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235313672 384116943 /nfs/dbraw/zinc/11/69/43/384116943.db2.gz BTGMHHNQGUPRAH-RITPCOANSA-N 1 2 212.684 1.780 20 0 BDADLO C[C@@H]1C[C@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235313672 384116947 /nfs/dbraw/zinc/11/69/47/384116947.db2.gz BTGMHHNQGUPRAH-RITPCOANSA-N 1 2 212.684 1.780 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cccc(O)c1 ZINC000070797622 384137201 /nfs/dbraw/zinc/13/72/01/384137201.db2.gz TWMDAGZFTXYDOP-UHFFFAOYSA-N 1 2 217.272 1.416 20 0 BDADLO CC[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000332698820 384125316 /nfs/dbraw/zinc/12/53/16/384125316.db2.gz MUDXLPYHAUVVOM-QMMMGPOBSA-N 1 2 220.276 1.907 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)CCc1c[nH+]c[nH]1 ZINC000291201959 384128870 /nfs/dbraw/zinc/12/88/70/384128870.db2.gz HQXGHZCSDMEYHC-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)CCc1c[nH]c[nH+]1 ZINC000291201959 384128878 /nfs/dbraw/zinc/12/88/78/384128878.db2.gz HQXGHZCSDMEYHC-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CC[C@H](C)O1)c1[nH]cc[nH+]1 ZINC000140671462 384157854 /nfs/dbraw/zinc/15/78/54/384157854.db2.gz SVFVQWSQCCDEDM-GUBZILKMSA-N 1 2 237.303 1.545 20 0 BDADLO O=c1[nH]nc(C[N@H+](Cc2ccccc2)C2CC2)[nH]1 ZINC000092616970 384185930 /nfs/dbraw/zinc/18/59/30/384185930.db2.gz WNSBAYFKUPNIMV-UHFFFAOYSA-N 1 2 244.298 1.263 20 0 BDADLO O=c1[nH]nc(C[N@@H+](Cc2ccccc2)C2CC2)[nH]1 ZINC000092616970 384185931 /nfs/dbraw/zinc/18/59/31/384185931.db2.gz WNSBAYFKUPNIMV-UHFFFAOYSA-N 1 2 244.298 1.263 20 0 BDADLO CCCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287754 384184530 /nfs/dbraw/zinc/18/45/30/384184530.db2.gz TZFHZHHROPYFHS-UHFFFAOYSA-N 1 2 231.299 1.793 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cncs1 ZINC000093054633 384206448 /nfs/dbraw/zinc/20/64/48/384206448.db2.gz MZWCHKUXXZCDPC-SNVBAGLBSA-N 1 2 239.344 1.100 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cncs1 ZINC000093054633 384206455 /nfs/dbraw/zinc/20/64/55/384206455.db2.gz MZWCHKUXXZCDPC-SNVBAGLBSA-N 1 2 239.344 1.100 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)o1 ZINC000093050103 384207200 /nfs/dbraw/zinc/20/72/00/384207200.db2.gz SNHORNNETJOVKJ-LBPRGKRZSA-N 1 2 236.315 1.552 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC)o1 ZINC000093050103 384207205 /nfs/dbraw/zinc/20/72/05/384207205.db2.gz SNHORNNETJOVKJ-LBPRGKRZSA-N 1 2 236.315 1.552 20 0 BDADLO Cc1n[nH]cc1C[NH+]1CCN(CC(F)F)CC1 ZINC000092586812 384186258 /nfs/dbraw/zinc/18/62/58/384186258.db2.gz BTMYZAKGGBTYTR-UHFFFAOYSA-N 1 2 244.289 1.101 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703395 384189769 /nfs/dbraw/zinc/18/97/69/384189769.db2.gz JXCIXORKBNEKMK-NEPJUHHUSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703395 384189770 /nfs/dbraw/zinc/18/97/70/384189770.db2.gz JXCIXORKBNEKMK-NEPJUHHUSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc(C)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000041816380 384199705 /nfs/dbraw/zinc/19/97/05/384199705.db2.gz USHFIXZJUITJAG-UHFFFAOYSA-N 1 2 243.310 1.930 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000093383714 384232478 /nfs/dbraw/zinc/23/24/78/384232478.db2.gz PURCZYFAOODPHN-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000093383714 384232480 /nfs/dbraw/zinc/23/24/80/384232480.db2.gz PURCZYFAOODPHN-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000093416704 384236737 /nfs/dbraw/zinc/23/67/37/384236737.db2.gz AOBJWXJPRIYZIL-SNVBAGLBSA-N 1 2 245.344 1.535 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000093416704 384236744 /nfs/dbraw/zinc/23/67/44/384236744.db2.gz AOBJWXJPRIYZIL-SNVBAGLBSA-N 1 2 245.344 1.535 20 0 BDADLO c1[nH]nc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000118852812 384214514 /nfs/dbraw/zinc/21/45/14/384214514.db2.gz PXSZJXOLDMRUCG-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1[nH]nc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000118852812 384214518 /nfs/dbraw/zinc/21/45/18/384214518.db2.gz PXSZJXOLDMRUCG-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000082432323 384227923 /nfs/dbraw/zinc/22/79/23/384227923.db2.gz FUBVQCKPHLGRDC-ZETCQYMHSA-N 1 2 227.226 1.822 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000082432323 384227930 /nfs/dbraw/zinc/22/79/30/384227930.db2.gz FUBVQCKPHLGRDC-ZETCQYMHSA-N 1 2 227.226 1.822 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000093529530 384247439 /nfs/dbraw/zinc/24/74/39/384247439.db2.gz RPVMQSAHRXOLGD-LLVKDONJSA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000093529530 384247445 /nfs/dbraw/zinc/24/74/45/384247445.db2.gz RPVMQSAHRXOLGD-LLVKDONJSA-N 1 2 227.329 1.595 20 0 BDADLO CCSCCNc1ccc(CO)c[nH+]1 ZINC000291619650 384253249 /nfs/dbraw/zinc/25/32/49/384253249.db2.gz ROJDPMWGEWSGPM-UHFFFAOYSA-N 1 2 212.318 1.739 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000093642715 384253349 /nfs/dbraw/zinc/25/33/49/384253349.db2.gz HAGYKDPFTIWIPT-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000093642715 384253355 /nfs/dbraw/zinc/25/33/55/384253355.db2.gz HAGYKDPFTIWIPT-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCc3ccsc3C2)n1 ZINC000132926336 384260443 /nfs/dbraw/zinc/26/04/43/384260443.db2.gz RBEIWXMJUMGPPF-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ccnc(C[N@H+]2CCc3ccsc3C2)n1 ZINC000132926336 384260446 /nfs/dbraw/zinc/26/04/46/384260446.db2.gz RBEIWXMJUMGPPF-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO CS(=O)(=O)CC[N@@H+]1CCc2ccsc2C1 ZINC000132879121 384261339 /nfs/dbraw/zinc/26/13/39/384261339.db2.gz FFJNYEJAVVEYHY-UHFFFAOYSA-N 1 2 245.369 1.151 20 0 BDADLO CS(=O)(=O)CC[N@H+]1CCc2ccsc2C1 ZINC000132879121 384261346 /nfs/dbraw/zinc/26/13/46/384261346.db2.gz FFJNYEJAVVEYHY-UHFFFAOYSA-N 1 2 245.369 1.151 20 0 BDADLO COC(=O)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000082791754 384268364 /nfs/dbraw/zinc/26/83/64/384268364.db2.gz DYHGQLUBNBONDY-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO COC(=O)C[N@H+]1CCc2cc(C)ccc2C1 ZINC000082791754 384268369 /nfs/dbraw/zinc/26/83/69/384268369.db2.gz DYHGQLUBNBONDY-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1cccc(C)n1 ZINC000569572283 384268477 /nfs/dbraw/zinc/26/84/77/384268477.db2.gz ZZDWHFJWDFMBPL-CYBMUJFWSA-N 1 2 247.342 1.143 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1cccc(C)n1 ZINC000569572283 384268481 /nfs/dbraw/zinc/26/84/81/384268481.db2.gz ZZDWHFJWDFMBPL-CYBMUJFWSA-N 1 2 247.342 1.143 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1 ZINC000093771447 384269852 /nfs/dbraw/zinc/26/98/52/384269852.db2.gz JBIRCLQFTUUKAZ-LLVKDONJSA-N 1 2 238.356 1.849 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000093771447 384269859 /nfs/dbraw/zinc/26/98/59/384269859.db2.gz JBIRCLQFTUUKAZ-LLVKDONJSA-N 1 2 238.356 1.849 20 0 BDADLO COCCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560698528 384305321 /nfs/dbraw/zinc/30/53/21/384305321.db2.gz PFTYYQRULQTVFH-SECBINFHSA-N 1 2 225.292 1.404 20 0 BDADLO Cc1nnc(N[C@H](C)Cn2cc[nH+]c2)s1 ZINC000083584089 384312818 /nfs/dbraw/zinc/31/28/18/384312818.db2.gz LEIFYJVNOZZVCE-SSDOTTSWSA-N 1 2 223.305 1.544 20 0 BDADLO Cc1nc(N2CCC[C@@H](C)CC2)nc(N)[nH+]1 ZINC000304409027 384281756 /nfs/dbraw/zinc/28/17/56/384281756.db2.gz BXLOAVLJBPRLTI-MRVPVSSYSA-N 1 2 221.308 1.389 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](C)CC2)[nH+]1 ZINC000304409027 384281761 /nfs/dbraw/zinc/28/17/61/384281761.db2.gz BXLOAVLJBPRLTI-MRVPVSSYSA-N 1 2 221.308 1.389 20 0 BDADLO CN(c1cc(NCC2CC2)[nH+]cn1)[C@H]1CCOC1 ZINC000119547032 384283343 /nfs/dbraw/zinc/28/33/43/384283343.db2.gz FUMXXJUUTPNTKX-NSHDSACASA-N 1 2 248.330 1.524 20 0 BDADLO CN(c1cc(NCC2CC2)nc[nH+]1)[C@H]1CCOC1 ZINC000119547032 384283350 /nfs/dbraw/zinc/28/33/50/384283350.db2.gz FUMXXJUUTPNTKX-NSHDSACASA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H](CCO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000119550668 384284518 /nfs/dbraw/zinc/28/45/18/384284518.db2.gz RFGFRXRHRILVNM-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@H](CCO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000119550668 384284521 /nfs/dbraw/zinc/28/45/21/384284521.db2.gz RFGFRXRHRILVNM-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@](O)(C[NH2+]Cc1csnn1)c1ccco1 ZINC000133343107 384284673 /nfs/dbraw/zinc/28/46/73/384284673.db2.gz BQSHAELJJCMDGI-JTQLQIEISA-N 1 2 239.300 1.128 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H](C)CC2)nc(N)[nH+]1 ZINC000304503272 384335395 /nfs/dbraw/zinc/33/53/95/384335395.db2.gz QKJXLXLZLMLZKT-XWEPSHTISA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CC[C@H](C)CC2)[nH+]1 ZINC000304503272 384335404 /nfs/dbraw/zinc/33/54/04/384335404.db2.gz QKJXLXLZLMLZKT-XWEPSHTISA-N 1 2 221.308 1.753 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000084093516 384364150 /nfs/dbraw/zinc/36/41/50/384364150.db2.gz KDBWIMKSDKDTCM-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@H]1C[N@H+]([C@H](C(=O)OC)C2CC2)CCO1 ZINC000084093516 384364155 /nfs/dbraw/zinc/36/41/55/384364155.db2.gz KDBWIMKSDKDTCM-QWRGUYRKSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCOC[C@@H]1C ZINC000121596760 384426132 /nfs/dbraw/zinc/42/61/32/384426132.db2.gz DDKHYLYWEPRRJY-JTQLQIEISA-N 1 2 235.287 1.643 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)c1ccco1 ZINC000625742099 384396823 /nfs/dbraw/zinc/39/68/23/384396823.db2.gz IYZPKASQTBQGCM-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccco1 ZINC000625742099 384396828 /nfs/dbraw/zinc/39/68/28/384396828.db2.gz IYZPKASQTBQGCM-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO CN(C)c1nccc(C[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000330790842 384397027 /nfs/dbraw/zinc/39/70/27/384397027.db2.gz CJEPWNJFMKTMCC-JTQLQIEISA-N 1 2 249.318 1.042 20 0 BDADLO CN(C)c1nccc(C[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000330790842 384397033 /nfs/dbraw/zinc/39/70/33/384397033.db2.gz CJEPWNJFMKTMCC-JTQLQIEISA-N 1 2 249.318 1.042 20 0 BDADLO CC[N@H+](CCc1nccs1)[C@@H]1CCOC1=O ZINC000121191681 384401889 /nfs/dbraw/zinc/40/18/89/384401889.db2.gz DOWBGHRJSUUYCG-SECBINFHSA-N 1 2 240.328 1.323 20 0 BDADLO CC[N@@H+](CCc1nccs1)[C@@H]1CCOC1=O ZINC000121191681 384401894 /nfs/dbraw/zinc/40/18/94/384401894.db2.gz DOWBGHRJSUUYCG-SECBINFHSA-N 1 2 240.328 1.323 20 0 BDADLO CC(C)N(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000121318541 384410664 /nfs/dbraw/zinc/41/06/64/384410664.db2.gz AUXHWPUEMLLOCE-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO Cc1nc(N(C)C2CCCCC2)nc(N)[nH+]1 ZINC000304564781 384418940 /nfs/dbraw/zinc/41/89/40/384418940.db2.gz ZFFQFCFTXZKCBA-UHFFFAOYSA-N 1 2 221.308 1.531 20 0 BDADLO Cc1nc(N)nc(N(C)C2CCCCC2)[nH+]1 ZINC000304564781 384418946 /nfs/dbraw/zinc/41/89/46/384418946.db2.gz ZFFQFCFTXZKCBA-UHFFFAOYSA-N 1 2 221.308 1.531 20 0 BDADLO O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120702306 384376800 /nfs/dbraw/zinc/37/68/00/384376800.db2.gz FRIHFNFDJPJAAV-GHMZBOCLSA-N 1 2 249.314 1.642 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(F)ccc1O ZINC000147685686 384452960 /nfs/dbraw/zinc/45/29/60/384452960.db2.gz QEAOTZKLXHHLAD-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCOC1 ZINC000121622208 384430215 /nfs/dbraw/zinc/43/02/15/384430215.db2.gz SJWKJTWNSSGZKO-JTQLQIEISA-N 1 2 235.287 1.548 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)C[C@H]1F ZINC000335653211 384439666 /nfs/dbraw/zinc/43/96/66/384439666.db2.gz XUNDJZXTBPEQPP-XCBNKYQSSA-N 1 2 211.240 1.116 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](O)CC2)no1 ZINC000331696307 384440042 /nfs/dbraw/zinc/44/00/42/384440042.db2.gz YIELLJPBIHODCT-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@H](O)CC2)no1 ZINC000331696307 384440048 /nfs/dbraw/zinc/44/00/48/384440048.db2.gz YIELLJPBIHODCT-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2CCCOC2)c1Cl ZINC000236393547 384440269 /nfs/dbraw/zinc/44/02/69/384440269.db2.gz XGTOGDHRCNHONY-ZCFIWIBFSA-N 1 2 228.683 1.303 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2CCCOC2)c1Cl ZINC000236393547 384440271 /nfs/dbraw/zinc/44/02/71/384440271.db2.gz XGTOGDHRCNHONY-ZCFIWIBFSA-N 1 2 228.683 1.303 20 0 BDADLO Cc1nnc(SCCn2cc[nH+]c2)s1 ZINC000121853375 384442626 /nfs/dbraw/zinc/44/26/26/384442626.db2.gz VNYXKBOATGGCDP-UHFFFAOYSA-N 1 2 226.330 1.835 20 0 BDADLO COC[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000078957912 384473313 /nfs/dbraw/zinc/47/33/13/384473313.db2.gz XZELAJJHLLBOPE-SSDOTTSWSA-N 1 2 238.316 1.490 20 0 BDADLO COC[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234853955 384507896 /nfs/dbraw/zinc/50/78/96/384507896.db2.gz IMTYBVFFXKLPOJ-SSDOTTSWSA-N 1 2 242.710 1.185 20 0 BDADLO COC[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000234853955 384507901 /nfs/dbraw/zinc/50/79/01/384507901.db2.gz IMTYBVFFXKLPOJ-SSDOTTSWSA-N 1 2 242.710 1.185 20 0 BDADLO C=C/C(C)=C/CC(=O)NCCn1cc[nH+]c1 ZINC000648146531 384486995 /nfs/dbraw/zinc/48/69/95/384486995.db2.gz ADWBVPYXLIBQCU-NYYWCZLTSA-N 1 2 219.288 1.522 20 0 BDADLO CSC[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000300743916 384530617 /nfs/dbraw/zinc/53/06/17/384530617.db2.gz JJRIXMLHOLSJMO-MRVPVSSYSA-N 1 2 227.333 1.367 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000335099573 384546090 /nfs/dbraw/zinc/54/60/90/384546090.db2.gz WWIJIRKKQXFYRC-ZJUUUORDSA-N 1 2 239.294 1.565 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000335099571 384548150 /nfs/dbraw/zinc/54/81/50/384548150.db2.gz WWIJIRKKQXFYRC-VHSXEESVSA-N 1 2 239.294 1.565 20 0 BDADLO c1cc(N[C@H]2CC23CC3)nc(C2CC2)[nH+]1 ZINC000335104707 384548735 /nfs/dbraw/zinc/54/87/35/384548735.db2.gz IVXCFDYZYMSSAC-VIFPVBQESA-N 1 2 201.273 1.740 20 0 BDADLO CC(C)n1ccc(C[N@H+](CC(N)=O)C(C)C)n1 ZINC000172334405 384569521 /nfs/dbraw/zinc/56/95/21/384569521.db2.gz OKGJHLVTSXFZTB-UHFFFAOYSA-N 1 2 238.335 1.160 20 0 BDADLO CC(C)n1ccc(C[N@@H+](CC(N)=O)C(C)C)n1 ZINC000172334405 384569533 /nfs/dbraw/zinc/56/95/33/384569533.db2.gz OKGJHLVTSXFZTB-UHFFFAOYSA-N 1 2 238.335 1.160 20 0 BDADLO FC(F)(F)CNCc1cn2ccccc2[nH+]1 ZINC000020070350 384569958 /nfs/dbraw/zinc/56/99/58/384569958.db2.gz CMWJDBXRIMKANU-UHFFFAOYSA-N 1 2 229.205 1.986 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+]1CC(F)F ZINC000179136739 384602666 /nfs/dbraw/zinc/60/26/66/384602666.db2.gz ITJPCXKEMHQPLE-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+]1CC(F)F ZINC000179136739 384602673 /nfs/dbraw/zinc/60/26/73/384602673.db2.gz ITJPCXKEMHQPLE-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO CCOCC[NH+]1CCN(CCSC)CC1 ZINC000171630259 384617444 /nfs/dbraw/zinc/61/74/44/384617444.db2.gz PBSOCSJLEDAQJG-UHFFFAOYSA-N 1 2 232.393 1.004 20 0 BDADLO CN(CCCn1cc[nH+]c1)CC(F)(F)F ZINC000124308038 384628784 /nfs/dbraw/zinc/62/87/84/384628784.db2.gz RBDKFSOWFRXJPQ-UHFFFAOYSA-N 1 2 221.226 1.767 20 0 BDADLO CC[N@H+](CC(=O)OC)[C@@H](C)c1cccc(O)c1 ZINC000080931411 384593367 /nfs/dbraw/zinc/59/33/67/384593367.db2.gz DTUZGFGRTKQQNP-JTQLQIEISA-N 1 2 237.299 1.948 20 0 BDADLO CC[N@@H+](CC(=O)OC)[C@@H](C)c1cccc(O)c1 ZINC000080931411 384593372 /nfs/dbraw/zinc/59/33/72/384593372.db2.gz DTUZGFGRTKQQNP-JTQLQIEISA-N 1 2 237.299 1.948 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cccn2C)n1 ZINC000309781830 384597585 /nfs/dbraw/zinc/59/75/85/384597585.db2.gz NBDXACQIBJKTAC-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cncc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368326288 384665687 /nfs/dbraw/zinc/66/56/87/384665687.db2.gz CKJRXXKRBUZGPH-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cncc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368326288 384665693 /nfs/dbraw/zinc/66/56/93/384665693.db2.gz CKJRXXKRBUZGPH-NWDGAFQWSA-N 1 2 204.273 1.363 20 0 BDADLO CCc1nc(C[N@H+](CC)CCO)cs1 ZINC000047878759 384669617 /nfs/dbraw/zinc/66/96/17/384669617.db2.gz PLJMFSOWDNXDAT-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO CCc1nc(C[N@@H+](CC)CCO)cs1 ZINC000047878759 384669621 /nfs/dbraw/zinc/66/96/21/384669621.db2.gz PLJMFSOWDNXDAT-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000185026026 384674050 /nfs/dbraw/zinc/67/40/50/384674050.db2.gz PFQLAPDHHGUPOF-LLVKDONJSA-N 1 2 223.320 1.682 20 0 BDADLO O=C(C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082275681 384656842 /nfs/dbraw/zinc/65/68/42/384656842.db2.gz WBFGXRXCAVTJNO-JTQLQIEISA-N 1 2 219.288 1.526 20 0 BDADLO CCn1cc[nH+]c1CN(CC(=O)OC)C(C)C ZINC000052345183 384724369 /nfs/dbraw/zinc/72/43/69/384724369.db2.gz CHILVWBMBDHYJN-UHFFFAOYSA-N 1 2 239.319 1.286 20 0 BDADLO CC[C@H](SC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000125543287 384725950 /nfs/dbraw/zinc/72/59/50/384725950.db2.gz UXKHBVLPUPESLB-VIFPVBQESA-N 1 2 241.360 1.520 20 0 BDADLO COC(=O)[C@@](C)([NH2+]C[C@@H](OC)C1CC1)C1CC1 ZINC000580710645 384685765 /nfs/dbraw/zinc/68/57/65/384685765.db2.gz LABWLPAWKGPBDO-YPMHNXCESA-N 1 2 241.331 1.343 20 0 BDADLO CCOc1cc(NCCCn2cc[nH+]c2)ncn1 ZINC000082482281 384685947 /nfs/dbraw/zinc/68/59/47/384685947.db2.gz ZFPVDAPOPSJMQF-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cnccc1C)CC2 ZINC000363714082 384726612 /nfs/dbraw/zinc/72/66/12/384726612.db2.gz PLLAJEACEKAKIT-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cnccc1C)CC2 ZINC000363714082 384726618 /nfs/dbraw/zinc/72/66/18/384726618.db2.gz PLLAJEACEKAKIT-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000050374458 384692847 /nfs/dbraw/zinc/69/28/47/384692847.db2.gz CVKFWWOLAJQJAG-NXEZZACHSA-N 1 2 207.277 1.764 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cscn2)C1 ZINC000335388739 384696199 /nfs/dbraw/zinc/69/61/99/384696199.db2.gz KXSMVOAKOFSZIY-UHFFFAOYSA-N 1 2 211.290 1.500 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000173632033 384699295 /nfs/dbraw/zinc/69/92/95/384699295.db2.gz QNMPQGRKYHSATM-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@H+]2CCCO[C@H](C)C2)o1 ZINC000173632033 384699299 /nfs/dbraw/zinc/69/92/99/384699299.db2.gz QNMPQGRKYHSATM-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO C[N@@H+](Cc1cccnc1)C[C@@H](O)C(F)(F)F ZINC000082680116 384701740 /nfs/dbraw/zinc/70/17/40/384701740.db2.gz WZGJDUKYPXUJSQ-SECBINFHSA-N 1 2 234.221 1.437 20 0 BDADLO C[N@H+](Cc1cccnc1)C[C@@H](O)C(F)(F)F ZINC000082680116 384701747 /nfs/dbraw/zinc/70/17/47/384701747.db2.gz WZGJDUKYPXUJSQ-SECBINFHSA-N 1 2 234.221 1.437 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)o1 ZINC000082680100 384701913 /nfs/dbraw/zinc/70/19/13/384701913.db2.gz XFOHLPRQFUSWBH-SECBINFHSA-N 1 2 237.221 1.943 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)o1 ZINC000082680100 384701922 /nfs/dbraw/zinc/70/19/22/384701922.db2.gz XFOHLPRQFUSWBH-SECBINFHSA-N 1 2 237.221 1.943 20 0 BDADLO CCn1cc[nH+]c1CNCc1nc(C)cs1 ZINC000051923982 384706472 /nfs/dbraw/zinc/70/64/72/384706472.db2.gz IRGYLMQAKPONGW-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1nc(C)cs1 ZINC000051923982 384706479 /nfs/dbraw/zinc/70/64/79/384706479.db2.gz IRGYLMQAKPONGW-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)cc1O ZINC000334775603 384718390 /nfs/dbraw/zinc/71/83/90/384718390.db2.gz QVKAUTABTPNWMJ-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccccn2)n1C ZINC000103556826 384778034 /nfs/dbraw/zinc/77/80/34/384778034.db2.gz DEVGWAFDBVDFHE-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccccn2)n1C ZINC000103556826 384778038 /nfs/dbraw/zinc/77/80/38/384778038.db2.gz DEVGWAFDBVDFHE-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)C(=O)NCCF)cs1 ZINC000282537640 384733503 /nfs/dbraw/zinc/73/35/03/384733503.db2.gz BXOYGKYODMXGFU-SSDOTTSWSA-N 1 2 245.323 1.015 20 0 BDADLO Cn1cc[nH+]c1CS(=O)(=O)CC1CCCC1 ZINC000173940105 384737452 /nfs/dbraw/zinc/73/74/52/384737452.db2.gz FHWDZXRJCZKGRS-UHFFFAOYSA-N 1 2 242.344 1.525 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C)c2C)[nH]c1C ZINC000568272823 384742579 /nfs/dbraw/zinc/74/25/79/384742579.db2.gz ACDKEFMXKPGETN-JTQLQIEISA-N 1 2 247.346 1.919 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2cnn(C)c2C)[nH+]c1C ZINC000568272823 384742585 /nfs/dbraw/zinc/74/25/85/384742585.db2.gz ACDKEFMXKPGETN-JTQLQIEISA-N 1 2 247.346 1.919 20 0 BDADLO CN(Cc1cscn1)Cc1cc[nH+]c(N)c1 ZINC000052723633 384745654 /nfs/dbraw/zinc/74/56/54/384745654.db2.gz KHQBNJVFLDRRTJ-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO Cn1cc[nH+]c1Cn1cnc2ccccc21 ZINC000075935807 384771477 /nfs/dbraw/zinc/77/14/77/384771477.db2.gz MZZBREJSNHQPBG-UHFFFAOYSA-N 1 2 212.256 1.818 20 0 BDADLO C[C@@H]1OCC[C@H]1SCc1[nH+]ccn1C ZINC000163547728 384821850 /nfs/dbraw/zinc/82/18/50/384821850.db2.gz QWZORRBLESOYFB-DTWKUNHWSA-N 1 2 212.318 1.831 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@H]1CCCC[C@H]1O ZINC000300236517 384827830 /nfs/dbraw/zinc/82/78/30/384827830.db2.gz NVVCNWJUEYIYQX-NXEZZACHSA-N 1 2 237.290 1.097 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@H]1CCCC[C@H]1O ZINC000300236517 384827836 /nfs/dbraw/zinc/82/78/36/384827836.db2.gz NVVCNWJUEYIYQX-NXEZZACHSA-N 1 2 237.290 1.097 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](O)C2)o1 ZINC000303982071 384831495 /nfs/dbraw/zinc/83/14/95/384831495.db2.gz GBPITDCTIRENBU-IUCAKERBSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](O)C2)o1 ZINC000303982071 384831499 /nfs/dbraw/zinc/83/14/99/384831499.db2.gz GBPITDCTIRENBU-IUCAKERBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H]1C ZINC000291730108 384835827 /nfs/dbraw/zinc/83/58/27/384835827.db2.gz BRCXYJALTJZJOP-NXEZZACHSA-N 1 2 236.319 1.218 20 0 BDADLO O=C(Cc1ccsc1)NCc1c[nH+]c[nH]1 ZINC000084081586 384836071 /nfs/dbraw/zinc/83/60/71/384836071.db2.gz LQZPSPJEVWMADP-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO O=C(Cc1ccsc1)NCc1c[nH]c[nH+]1 ZINC000084081586 384836078 /nfs/dbraw/zinc/83/60/78/384836078.db2.gz LQZPSPJEVWMADP-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)COC(C)C)C(=O)OC ZINC000310041369 384814387 /nfs/dbraw/zinc/81/43/87/384814387.db2.gz YNVIOBHNLFOZGP-QWRGUYRKSA-N 1 2 231.336 1.731 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636454245 384884692 /nfs/dbraw/zinc/88/46/92/384884692.db2.gz ZDRSXKIMVNMYKL-UWVGGRQHSA-N 1 2 236.319 1.296 20 0 BDADLO C[C@H](N[C@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000335277486 384887216 /nfs/dbraw/zinc/88/72/16/384887216.db2.gz IDDQVQJHPRRFAD-BQBZGAKWSA-N 1 2 219.210 1.868 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)no1 ZINC000105898318 384887997 /nfs/dbraw/zinc/88/79/97/384887997.db2.gz JVGDZDKXGPULRO-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)no1 ZINC000105898318 384888002 /nfs/dbraw/zinc/88/80/02/384888002.db2.gz JVGDZDKXGPULRO-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO COc1ccc[nH+]c1NCc1cncnc1OC ZINC000647197833 384840439 /nfs/dbraw/zinc/84/04/39/384840439.db2.gz QGCIJHMWXKCWDX-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000648256590 384843112 /nfs/dbraw/zinc/84/31/12/384843112.db2.gz HEDBXLUGQBUDFQ-ZWNOBZJWSA-N 1 2 246.310 1.717 20 0 BDADLO Cn1c[nH+]cc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000294443785 384845212 /nfs/dbraw/zinc/84/52/12/384845212.db2.gz RGUGITGUNQDGBS-LLVKDONJSA-N 1 2 246.318 1.265 20 0 BDADLO CC(C)COCC[NH2+][C@@H](C)c1csnn1 ZINC000398228289 384858776 /nfs/dbraw/zinc/85/87/76/384858776.db2.gz HUFVFKJWBJPTFX-VIFPVBQESA-N 1 2 229.349 1.861 20 0 BDADLO CC[C@@H](C)NC(=O)CCNc1cc[nH+]c(C)n1 ZINC000054935989 384862241 /nfs/dbraw/zinc/86/22/41/384862241.db2.gz BNGSHOAQLWHSHO-SECBINFHSA-N 1 2 236.319 1.502 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+](C)CCO)cs1 ZINC000175075294 384865160 /nfs/dbraw/zinc/86/51/60/384865160.db2.gz XEZUHYZWJNPVRU-QMMMGPOBSA-N 1 2 230.333 1.275 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+](C)CCO)cs1 ZINC000175075294 384865165 /nfs/dbraw/zinc/86/51/65/384865165.db2.gz XEZUHYZWJNPVRU-QMMMGPOBSA-N 1 2 230.333 1.275 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055059515 384866974 /nfs/dbraw/zinc/86/69/74/384866974.db2.gz BKIXCNAOBSCPOE-UHFFFAOYSA-N 1 2 225.263 1.473 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055059515 384866982 /nfs/dbraw/zinc/86/69/82/384866982.db2.gz BKIXCNAOBSCPOE-UHFFFAOYSA-N 1 2 225.263 1.473 20 0 BDADLO COC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175114486 384869005 /nfs/dbraw/zinc/86/90/05/384869005.db2.gz JPNCTUAEFGDYRH-LBPRGKRZSA-N 1 2 236.315 1.725 20 0 BDADLO COC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175114486 384869012 /nfs/dbraw/zinc/86/90/12/384869012.db2.gz JPNCTUAEFGDYRH-LBPRGKRZSA-N 1 2 236.315 1.725 20 0 BDADLO COC[C@H]([NH2+]CC(OC)OC)c1ccco1 ZINC000119083990 384960602 /nfs/dbraw/zinc/96/06/02/384960602.db2.gz FSIYOWQBHGZOIZ-VIFPVBQESA-N 1 2 229.276 1.176 20 0 BDADLO C[C@H](O)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000085486258 384954121 /nfs/dbraw/zinc/95/41/21/384954121.db2.gz IZMZUCGREAUCEG-ZETCQYMHSA-N 1 2 234.221 1.917 20 0 BDADLO CON(C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000364078809 384957031 /nfs/dbraw/zinc/95/70/31/384957031.db2.gz YLQKWLCNBFVLNA-UHFFFAOYSA-N 1 2 240.328 1.126 20 0 BDADLO CON(C)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000364078809 384957040 /nfs/dbraw/zinc/95/70/40/384957040.db2.gz YLQKWLCNBFVLNA-UHFFFAOYSA-N 1 2 240.328 1.126 20 0 BDADLO Cc1nccnc1NCCCCn1cc[nH+]c1 ZINC000214481428 384892822 /nfs/dbraw/zinc/89/28/22/384892822.db2.gz OIHUKZLBLIAZAW-UHFFFAOYSA-N 1 2 231.303 1.874 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ncc(C)o1)CC2 ZINC000644466726 384898488 /nfs/dbraw/zinc/89/84/88/384898488.db2.gz MYBRIPLTVNGNRR-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCc1c[nH+]cn1C ZINC000421919127 384900306 /nfs/dbraw/zinc/90/03/06/384900306.db2.gz XCGLAYYGRAYQEL-UHFFFAOYSA-N 1 2 246.314 1.631 20 0 BDADLO CCOC(=O)N1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000497244518 384905589 /nfs/dbraw/zinc/90/55/89/384905589.db2.gz PNXHCBHNPCCVEE-UHFFFAOYSA-N 1 2 238.291 1.443 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CO1 ZINC000566162442 384913632 /nfs/dbraw/zinc/91/36/32/384913632.db2.gz UGEXBQAVUDQENH-SCZZXKLOSA-N 1 2 219.288 1.365 20 0 BDADLO C[C@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000051821169 384919184 /nfs/dbraw/zinc/91/91/84/384919184.db2.gz PNCAVPCJCYPTKS-QMMMGPOBSA-N 1 2 205.261 1.380 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1(OC)CCCC1)C1CC1 ZINC000310244750 384921394 /nfs/dbraw/zinc/92/13/94/384921394.db2.gz JFBPUGLIUHTJQZ-NSHDSACASA-N 1 2 241.331 1.487 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC1CC1 ZINC000083911201 384928477 /nfs/dbraw/zinc/92/84/77/384928477.db2.gz WLHMRAGZIMMWDS-UHFFFAOYSA-N 1 2 217.276 1.575 20 0 BDADLO C[C@@H](O)CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000559455851 384929406 /nfs/dbraw/zinc/92/94/06/384929406.db2.gz MQLSSQVQWXUOIF-SECBINFHSA-N 1 2 246.314 1.037 20 0 BDADLO Cc1nnsc1CNc1cccc[nH+]1 ZINC000306414056 384933666 /nfs/dbraw/zinc/93/36/66/384933666.db2.gz OCUJZTZWRBNOML-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1(C(F)F)CCCC1 ZINC000644559980 384959971 /nfs/dbraw/zinc/95/99/71/384959971.db2.gz SIBKGULTOYBIPZ-UHFFFAOYSA-N 1 2 243.257 1.577 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000051848494 384943556 /nfs/dbraw/zinc/94/35/56/384943556.db2.gz TVYAYMKTGKFPPF-UHFFFAOYSA-N 1 2 203.245 1.380 20 0 BDADLO COC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000106935406 384945878 /nfs/dbraw/zinc/94/58/78/384945878.db2.gz APHXVLQYSIRIKE-SNVBAGLBSA-N 1 2 219.284 1.779 20 0 BDADLO COC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000106935406 384945884 /nfs/dbraw/zinc/94/58/84/384945884.db2.gz APHXVLQYSIRIKE-SNVBAGLBSA-N 1 2 219.284 1.779 20 0 BDADLO Cn1cccc1C[NH+]1CCN(C2CC2)CC1 ZINC000127952737 384966960 /nfs/dbraw/zinc/96/69/60/384966960.db2.gz GXNSMZXIMFALIT-UHFFFAOYSA-N 1 2 219.332 1.305 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000361585571 384983348 /nfs/dbraw/zinc/98/33/48/384983348.db2.gz DRGKPVMVFTXPIL-LBPRGKRZSA-N 1 2 243.314 1.429 20 0 BDADLO Cc1ccnc(C[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000361585571 384983353 /nfs/dbraw/zinc/98/33/53/384983353.db2.gz DRGKPVMVFTXPIL-LBPRGKRZSA-N 1 2 243.314 1.429 20 0 BDADLO CSC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000187846556 384987651 /nfs/dbraw/zinc/98/76/51/384987651.db2.gz WCUGCMZCAYMGAW-SECBINFHSA-N 1 2 232.374 1.299 20 0 BDADLO CSC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000187846556 384987659 /nfs/dbraw/zinc/98/76/59/384987659.db2.gz WCUGCMZCAYMGAW-SECBINFHSA-N 1 2 232.374 1.299 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000128121952 384996611 /nfs/dbraw/zinc/99/66/11/384996611.db2.gz KXHBGSMGCCCBGX-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000128121952 384996624 /nfs/dbraw/zinc/99/66/24/384996624.db2.gz KXHBGSMGCCCBGX-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CCOCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000152195420 384998579 /nfs/dbraw/zinc/99/85/79/384998579.db2.gz JVXZTIJURQHVHJ-UHFFFAOYSA-N 1 2 239.319 1.773 20 0 BDADLO CO[C@@]1(CNc2cc(C)[nH+]cn2)CCOC1 ZINC000156880802 385003802 /nfs/dbraw/zinc/00/38/02/385003802.db2.gz GFFUPNZIIMBSDF-LLVKDONJSA-N 1 2 223.276 1.002 20 0 BDADLO C[C@@H](CC[S@@](C)=O)Nc1cccc[nH+]1 ZINC000130130607 385024624 /nfs/dbraw/zinc/02/46/24/385024624.db2.gz VJABKLOYSNMUNI-XPTSAGLGSA-N 1 2 212.318 1.651 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(F)c2N)CCO1 ZINC000156333459 385035000 /nfs/dbraw/zinc/03/50/00/385035000.db2.gz RNHMMFIBCGEVSR-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(F)c2N)CCO1 ZINC000156333459 385035007 /nfs/dbraw/zinc/03/50/07/385035007.db2.gz RNHMMFIBCGEVSR-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)n[nH]1 ZINC000176189995 385038278 /nfs/dbraw/zinc/03/82/78/385038278.db2.gz HLSXTNZWVUEPQT-UHFFFAOYSA-N 1 2 230.271 1.982 20 0 BDADLO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000647244016 385042790 /nfs/dbraw/zinc/04/27/90/385042790.db2.gz SCWGVJQAYQWXJI-BXKDBHETSA-N 1 2 225.336 1.605 20 0 BDADLO Cc1ccnc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000061859272 385141762 /nfs/dbraw/zinc/14/17/62/385141762.db2.gz DWFDJESTKOLTIQ-SNVBAGLBSA-N 1 2 217.276 1.482 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccsc1 ZINC000061513420 385118402 /nfs/dbraw/zinc/11/84/02/385118402.db2.gz OADBEQXWFSCVKW-UHFFFAOYSA-N 1 2 235.312 1.754 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000557771761 385120200 /nfs/dbraw/zinc/12/02/00/385120200.db2.gz JPIFSGOJALJXIV-WOPDTQHZSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H](C(=O)NCCCCn1cc[nH+]c1)C1CC1 ZINC000530875000 385126045 /nfs/dbraw/zinc/12/60/45/385126045.db2.gz KNOAAHQBNDBQIQ-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)cc1C ZINC000279437852 385126882 /nfs/dbraw/zinc/12/68/82/385126882.db2.gz HEYWMFOCAMUERQ-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CCC(CO)CC1 ZINC000088619517 385128544 /nfs/dbraw/zinc/12/85/44/385128544.db2.gz NEDNJIMWWMKMDU-UHFFFAOYSA-N 1 2 238.335 1.063 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000345847550 385137967 /nfs/dbraw/zinc/13/79/67/385137967.db2.gz ZCAFQGSUJNKFDF-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000345847550 385137974 /nfs/dbraw/zinc/13/79/74/385137974.db2.gz ZCAFQGSUJNKFDF-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000336346262 385138227 /nfs/dbraw/zinc/13/82/27/385138227.db2.gz VCQFITVYJPNBKG-RKDXNWHRSA-N 1 2 240.282 1.110 20 0 BDADLO CCc1nc(C)c(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000644677081 385089395 /nfs/dbraw/zinc/08/93/95/385089395.db2.gz JPBGGRBAEYPAAA-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCc1nc(C)c(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000644677081 385089399 /nfs/dbraw/zinc/08/93/99/385089399.db2.gz JPBGGRBAEYPAAA-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151167695 385090765 /nfs/dbraw/zinc/09/07/65/385090765.db2.gz KXYFRNYNCBQMHC-NSHDSACASA-N 1 2 249.310 1.658 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151167695 385090770 /nfs/dbraw/zinc/09/07/70/385090770.db2.gz KXYFRNYNCBQMHC-NSHDSACASA-N 1 2 249.310 1.658 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OC ZINC000313000365 385097554 /nfs/dbraw/zinc/09/75/54/385097554.db2.gz XOBCOLGEQAFSAQ-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCc1c[nH+]cn1C ZINC000292008250 385098426 /nfs/dbraw/zinc/09/84/26/385098426.db2.gz OIFWKPAGSZHFOA-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO NC(=O)C1([NH2+]Cc2cc(O)ccc2Cl)CC1 ZINC000625307385 385140741 /nfs/dbraw/zinc/14/07/41/385140741.db2.gz FMGUECZZQIYYLR-UHFFFAOYSA-N 1 2 240.690 1.153 20 0 BDADLO Cc1nc(NC[C@@H](C)C(C)C)nc(N)[nH+]1 ZINC000308785103 385102124 /nfs/dbraw/zinc/10/21/24/385102124.db2.gz AQAYCOHAOPJRSI-SSDOTTSWSA-N 1 2 209.297 1.466 20 0 BDADLO Cc1nc(N)nc(NC[C@@H](C)C(C)C)[nH+]1 ZINC000308785103 385102128 /nfs/dbraw/zinc/10/21/28/385102128.db2.gz AQAYCOHAOPJRSI-SSDOTTSWSA-N 1 2 209.297 1.466 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@](C)(OC)C2)o1 ZINC000407950054 385104734 /nfs/dbraw/zinc/10/47/34/385104734.db2.gz SXITUEXZGOKDEA-LBPRGKRZSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@](C)(OC)C2)o1 ZINC000407950054 385104741 /nfs/dbraw/zinc/10/47/41/385104741.db2.gz SXITUEXZGOKDEA-LBPRGKRZSA-N 1 2 239.319 1.633 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCCCF ZINC000151379236 385107550 /nfs/dbraw/zinc/10/75/50/385107550.db2.gz BSSIQSFGSIPOLS-UHFFFAOYSA-N 1 2 226.280 1.815 20 0 BDADLO C[C@H](CF)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289375865 385181606 /nfs/dbraw/zinc/18/16/06/385181606.db2.gz BKABPJXDFSIRHL-SSDOTTSWSA-N 1 2 246.307 1.636 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000189827162 385188887 /nfs/dbraw/zinc/18/88/87/385188887.db2.gz ZOSQYRSAICACBS-WDEREUQCSA-N 1 2 249.314 1.673 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000189869945 385191154 /nfs/dbraw/zinc/19/11/54/385191154.db2.gz YVEDXEHAXPKPOO-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cncc(C)c1 ZINC000189869945 385191158 /nfs/dbraw/zinc/19/11/58/385191158.db2.gz YVEDXEHAXPKPOO-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO Cc1cncc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000189883938 385195368 /nfs/dbraw/zinc/19/53/68/385195368.db2.gz PJFPDSCPDKPKFZ-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cncc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000189883938 385195376 /nfs/dbraw/zinc/19/53/76/385195376.db2.gz PJFPDSCPDKPKFZ-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1nccs1 ZINC000113349400 385147715 /nfs/dbraw/zinc/14/77/15/385147715.db2.gz GFTCFJIOQFTQIY-QMMMGPOBSA-N 1 2 248.373 1.056 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1nccs1 ZINC000189492252 385157895 /nfs/dbraw/zinc/15/78/95/385157895.db2.gz SUNWHANEAMSVDE-UHFFFAOYSA-N 1 2 236.287 1.857 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1nccs1 ZINC000189492252 385157901 /nfs/dbraw/zinc/15/79/01/385157901.db2.gz SUNWHANEAMSVDE-UHFFFAOYSA-N 1 2 236.287 1.857 20 0 BDADLO CCC1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000189481479 385158786 /nfs/dbraw/zinc/15/87/86/385158786.db2.gz RXJMXQFMSFDZLU-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCC1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000189481479 385158795 /nfs/dbraw/zinc/15/87/95/385158795.db2.gz RXJMXQFMSFDZLU-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@](C)(O)C2)o1 ZINC000178001167 385168988 /nfs/dbraw/zinc/16/89/88/385168988.db2.gz XTZWZRSIILLTLH-LLVKDONJSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@](C)(O)C2)o1 ZINC000178001167 385168994 /nfs/dbraw/zinc/16/89/94/385168994.db2.gz XTZWZRSIILLTLH-LLVKDONJSA-N 1 2 225.292 1.150 20 0 BDADLO Cc1occc1[S@](=O)Cc1[nH+]ccn1C ZINC000189610353 385169246 /nfs/dbraw/zinc/16/92/46/385169246.db2.gz NMXJMWXLYZTZSR-OAHLLOKOSA-N 1 2 224.285 1.629 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cncs1 ZINC000190040035 385207068 /nfs/dbraw/zinc/20/70/68/385207068.db2.gz GHUKHSMWDBEOMD-NSHDSACASA-N 1 2 238.312 1.425 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cncs1 ZINC000190040035 385207071 /nfs/dbraw/zinc/20/70/71/385207071.db2.gz GHUKHSMWDBEOMD-NSHDSACASA-N 1 2 238.312 1.425 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cncn2C)CCO1 ZINC000190109439 385210027 /nfs/dbraw/zinc/21/00/27/385210027.db2.gz IXQCUYNZYLXDNZ-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cncn2C)CCO1 ZINC000190109439 385210031 /nfs/dbraw/zinc/21/00/31/385210031.db2.gz IXQCUYNZYLXDNZ-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CO[C@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000190173014 385214682 /nfs/dbraw/zinc/21/46/82/385214682.db2.gz XIBFUIBKHCVCTQ-SECBINFHSA-N 1 2 223.276 1.546 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000190173786 385215767 /nfs/dbraw/zinc/21/57/67/385215767.db2.gz MFIOJNUVAXDWBJ-BXKDBHETSA-N 1 2 249.314 1.625 20 0 BDADLO COC(=O)c1ccccc1C[N@@H+]1CCOC[C@@H]1C ZINC000130148861 385223570 /nfs/dbraw/zinc/22/35/70/385223570.db2.gz GKVYYTFZYQHPTM-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1ccccc1C[N@H+]1CCOC[C@@H]1C ZINC000130148861 385223576 /nfs/dbraw/zinc/22/35/76/385223576.db2.gz GKVYYTFZYQHPTM-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1ccon1 ZINC000190276920 385225542 /nfs/dbraw/zinc/22/55/42/385225542.db2.gz AXTDMDDETPBIMG-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1ccon1 ZINC000190276920 385225545 /nfs/dbraw/zinc/22/55/45/385225545.db2.gz AXTDMDDETPBIMG-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO CC(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152963626 385227087 /nfs/dbraw/zinc/22/70/87/385227087.db2.gz FPBVCLRDLMPJEF-LLVKDONJSA-N 1 2 233.315 1.433 20 0 BDADLO CC[C@@H](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000190312892 385232275 /nfs/dbraw/zinc/23/22/75/385232275.db2.gz UUUITKHTAKUHKP-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000292130327 385237242 /nfs/dbraw/zinc/23/72/42/385237242.db2.gz XMDFDRXKQPTLPY-QWRGUYRKSA-N 1 2 248.330 1.362 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCOC(C)(C)C ZINC000108856373 385244321 /nfs/dbraw/zinc/24/43/21/385244321.db2.gz CSFFHNOKEUWAKE-UHFFFAOYSA-N 1 2 217.309 1.343 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000130492563 385253193 /nfs/dbraw/zinc/25/31/93/385253193.db2.gz YRGPURKMPOMUDL-ZJUUUORDSA-N 1 2 237.299 1.474 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000130522882 385258117 /nfs/dbraw/zinc/25/81/17/385258117.db2.gz YRGPURKMPOMUDL-NXEZZACHSA-N 1 2 237.299 1.474 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152687306 385205935 /nfs/dbraw/zinc/20/59/35/385205935.db2.gz ONFRDCTXXKFOKH-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCc2c(F)cccc2C1 ZINC000152687306 385205941 /nfs/dbraw/zinc/20/59/41/385205941.db2.gz ONFRDCTXXKFOKH-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000360648620 385305364 /nfs/dbraw/zinc/30/53/64/385305364.db2.gz SBNHJXHTJBWWIS-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(Cc1ccco1)N1CCn2c[nH+]cc2C1 ZINC000290930005 385263823 /nfs/dbraw/zinc/26/38/23/385263823.db2.gz MEOGVYIZAITPHR-UHFFFAOYSA-N 1 2 231.255 1.061 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC12CC2 ZINC000424971238 385265529 /nfs/dbraw/zinc/26/55/29/385265529.db2.gz OEXJABOWVMHCPA-JTQLQIEISA-N 1 2 219.288 1.021 20 0 BDADLO C[C@H](CCCO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000177698443 385274508 /nfs/dbraw/zinc/27/45/08/385274508.db2.gz ALJZCIRPOMZBSQ-SNVBAGLBSA-N 1 2 247.298 1.225 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000191145072 385285956 /nfs/dbraw/zinc/28/59/56/385285956.db2.gz WZYQPMSSJCBQED-ZDUSSCGKSA-N 1 2 239.315 1.773 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000191145072 385285959 /nfs/dbraw/zinc/28/59/59/385285959.db2.gz WZYQPMSSJCBQED-ZDUSSCGKSA-N 1 2 239.315 1.773 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000191144398 385286760 /nfs/dbraw/zinc/28/67/60/385286760.db2.gz VBESOYLUSMXOPZ-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000191144398 385286764 /nfs/dbraw/zinc/28/67/64/385286764.db2.gz VBESOYLUSMXOPZ-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO O=C(C(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364241068 385287409 /nfs/dbraw/zinc/28/74/09/385287409.db2.gz MSFABCQNRMEAPM-SECBINFHSA-N 1 2 242.225 1.326 20 0 BDADLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccccc1 ZINC000191179218 385291007 /nfs/dbraw/zinc/29/10/07/385291007.db2.gz JURRQUUGMGWHEJ-JTQLQIEISA-N 1 2 246.314 1.986 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191924240 385334892 /nfs/dbraw/zinc/33/48/92/385334892.db2.gz ONUIQWCVCGUFJM-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191924240 385334896 /nfs/dbraw/zinc/33/48/96/385334896.db2.gz ONUIQWCVCGUFJM-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000191950141 385336840 /nfs/dbraw/zinc/33/68/40/385336840.db2.gz IUTDDSRLDLKUNK-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000191950141 385336842 /nfs/dbraw/zinc/33/68/42/385336842.db2.gz IUTDDSRLDLKUNK-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193233449 385389263 /nfs/dbraw/zinc/38/92/63/385389263.db2.gz YFCPMCIFZVPXKR-SNVBAGLBSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193233449 385389268 /nfs/dbraw/zinc/38/92/68/385389268.db2.gz YFCPMCIFZVPXKR-SNVBAGLBSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178352676 385359642 /nfs/dbraw/zinc/35/96/42/385359642.db2.gz WHJNIFVYZQFYJB-UHFFFAOYSA-N 1 2 231.299 1.997 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000336571146 385363331 /nfs/dbraw/zinc/36/33/31/385363331.db2.gz FWFNRTDRQAASPH-BDAKNGLRSA-N 1 2 217.272 1.522 20 0 BDADLO Cc1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000492389568 385370873 /nfs/dbraw/zinc/37/08/73/385370873.db2.gz GHUXSJVVQRIVHM-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO CC[N@H+](CC(=O)N1CCCC1)Cc1ccccn1 ZINC000131335008 385326380 /nfs/dbraw/zinc/32/63/80/385326380.db2.gz GMELTKYILCFKAM-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO CC[N@@H+](CC(=O)N1CCCC1)Cc1ccccn1 ZINC000131335008 385326384 /nfs/dbraw/zinc/32/63/84/385326384.db2.gz GMELTKYILCFKAM-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO c1cn(Cc2nc(C3CCCC3)no2)c[nH+]1 ZINC000155976058 385425091 /nfs/dbraw/zinc/42/50/91/385425091.db2.gz BDXIQKWGFGCHST-UHFFFAOYSA-N 1 2 218.260 1.972 20 0 BDADLO Cn1nnc(C[NH+]2CCC(C(C)(C)C)CC2)n1 ZINC000193371277 385394612 /nfs/dbraw/zinc/39/46/12/385394612.db2.gz LZLURSXLTORIBL-UHFFFAOYSA-N 1 2 237.351 1.468 20 0 BDADLO Cn1nnc(C[N@@H+]2CCCc3ccccc3C2)n1 ZINC000193366727 385395287 /nfs/dbraw/zinc/39/52/87/385395287.db2.gz PFNAXLXHADEFPX-UHFFFAOYSA-N 1 2 243.314 1.159 20 0 BDADLO Cn1nnc(C[N@H+]2CCCc3ccccc3C2)n1 ZINC000193366727 385395290 /nfs/dbraw/zinc/39/52/90/385395290.db2.gz PFNAXLXHADEFPX-UHFFFAOYSA-N 1 2 243.314 1.159 20 0 BDADLO CCN(CC[NH2+][C@H](C)c1cnccn1)C1CC1 ZINC000155849283 385419039 /nfs/dbraw/zinc/41/90/39/385419039.db2.gz JEPNCGRRZZJGNI-LLVKDONJSA-N 1 2 234.347 1.612 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)[C@H]1CCCO1 ZINC000182344517 385439329 /nfs/dbraw/zinc/43/93/29/385439329.db2.gz HYUOTXGPCJFWOS-OUAUKWLOSA-N 1 2 229.320 1.485 20 0 BDADLO c1cn(CCSC[C@H]2CCCO2)c[nH+]1 ZINC000179079783 385439461 /nfs/dbraw/zinc/43/94/61/385439461.db2.gz VIVHCHVANAVYTF-SNVBAGLBSA-N 1 2 212.318 1.795 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cn3ccccc3n2)[C@H]1C ZINC000156185146 385440407 /nfs/dbraw/zinc/44/04/07/385440407.db2.gz IDHSTVNHMFWQOL-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cn3ccccc3n2)[C@H]1C ZINC000156185146 385440409 /nfs/dbraw/zinc/44/04/09/385440409.db2.gz IDHSTVNHMFWQOL-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000309156111 385440782 /nfs/dbraw/zinc/44/07/82/385440782.db2.gz ZVIXHTATIPPUMR-LLVKDONJSA-N 1 2 221.304 1.102 20 0 BDADLO Cc1cnn(CC[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000309156111 385440785 /nfs/dbraw/zinc/44/07/85/385440785.db2.gz ZVIXHTATIPPUMR-LLVKDONJSA-N 1 2 221.304 1.102 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](C)OC)CCCC1 ZINC000182366347 385442504 /nfs/dbraw/zinc/44/25/04/385442504.db2.gz ZBIKWLUCNHILBQ-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCCOC1 ZINC000170792482 385446212 /nfs/dbraw/zinc/44/62/12/385446212.db2.gz WACBPQIAERUKIV-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO C[N@H+](CCO)Cc1cccnc1Cl ZINC000052709339 385446206 /nfs/dbraw/zinc/44/62/06/385446206.db2.gz NHZFBABUTILXBL-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO C[N@@H+](CCO)Cc1cccnc1Cl ZINC000052709339 385446210 /nfs/dbraw/zinc/44/62/10/385446210.db2.gz NHZFBABUTILXBL-UHFFFAOYSA-N 1 2 200.669 1.159 20 0 BDADLO c1nc(NC2CCOCC2)cc(NCC2CC2)[nH+]1 ZINC000179288723 385456763 /nfs/dbraw/zinc/45/67/63/385456763.db2.gz RUEIXAGQDMZLRW-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC2CC2)cc(NC2CCOCC2)[nH+]1 ZINC000179288723 385456767 /nfs/dbraw/zinc/45/67/67/385456767.db2.gz RUEIXAGQDMZLRW-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc(C2CC2)n1 ZINC000580230586 385435753 /nfs/dbraw/zinc/43/57/53/385435753.db2.gz QJQLUZPLYAELKJ-UHFFFAOYSA-N 1 2 242.282 1.794 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000156854827 385470885 /nfs/dbraw/zinc/47/08/85/385470885.db2.gz JXANUYRIHVLVSB-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000156854827 385470887 /nfs/dbraw/zinc/47/08/87/385470887.db2.gz JXANUYRIHVLVSB-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1cc(NC(=O)c2ccc(N)cn2)cc[nH+]1 ZINC000156908205 385474195 /nfs/dbraw/zinc/47/41/95/385474195.db2.gz WYKHSOLUZBVAHX-UHFFFAOYSA-N 1 2 228.255 1.620 20 0 BDADLO CCCCC[NH2+][C@@](C)(COC)C(=O)OC ZINC000182594384 385459937 /nfs/dbraw/zinc/45/99/37/385459937.db2.gz FVGIEWGQYBROQI-NSHDSACASA-N 1 2 217.309 1.344 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccn1C ZINC000179900450 385497917 /nfs/dbraw/zinc/49/79/17/385497917.db2.gz YWUBRIOJYHVEEH-LLVKDONJSA-N 1 2 222.288 1.163 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccn1C ZINC000179900450 385497920 /nfs/dbraw/zinc/49/79/20/385497920.db2.gz YWUBRIOJYHVEEH-LLVKDONJSA-N 1 2 222.288 1.163 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccn1C ZINC000179900470 385498766 /nfs/dbraw/zinc/49/87/66/385498766.db2.gz YWUBRIOJYHVEEH-NSHDSACASA-N 1 2 222.288 1.163 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccn1C ZINC000179900470 385498772 /nfs/dbraw/zinc/49/87/72/385498772.db2.gz YWUBRIOJYHVEEH-NSHDSACASA-N 1 2 222.288 1.163 20 0 BDADLO Cc1cc(C[N@@H+](C)CCNC(=O)C(C)C)no1 ZINC000157415052 385500545 /nfs/dbraw/zinc/50/05/45/385500545.db2.gz ABXWXXCMPDYBFH-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1cc(C[N@H+](C)CCNC(=O)C(C)C)no1 ZINC000157415052 385500550 /nfs/dbraw/zinc/50/05/50/385500550.db2.gz ABXWXXCMPDYBFH-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cn1c[nH+]c2c1CCN(C[C@H]1CCC=CO1)C2 ZINC000364760676 385512374 /nfs/dbraw/zinc/51/23/74/385512374.db2.gz QUYNMYLAGJZESD-LLVKDONJSA-N 1 2 233.315 1.471 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000157198525 385489553 /nfs/dbraw/zinc/48/95/53/385489553.db2.gz WPIHXFBWCPHDGA-WCQYABFASA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccccn1 ZINC000157198525 385489555 /nfs/dbraw/zinc/48/95/55/385489555.db2.gz WPIHXFBWCPHDGA-WCQYABFASA-N 1 2 236.315 1.053 20 0 BDADLO CCCCCS(=O)(=O)Cc1[nH+]ccn1C ZINC000180671665 385538480 /nfs/dbraw/zinc/53/84/80/385538480.db2.gz YPWBFQORPUKDFP-UHFFFAOYSA-N 1 2 230.333 1.525 20 0 BDADLO CC(C)(C)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636634387 385543785 /nfs/dbraw/zinc/54/37/85/385543785.db2.gz TWUIVPUMPIVXHQ-SECBINFHSA-N 1 2 236.319 1.153 20 0 BDADLO O=C(C[N@@H+]1CCc2cccc(F)c2C1)NC1CC1 ZINC000157998011 385544039 /nfs/dbraw/zinc/54/40/39/385544039.db2.gz MZCQBZBFPQHMOR-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO O=C(C[N@H+]1CCc2cccc(F)c2C1)NC1CC1 ZINC000157998011 385544043 /nfs/dbraw/zinc/54/40/43/385544043.db2.gz MZCQBZBFPQHMOR-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO Cn1cc[nH+]c1CN(Cc1ccccn1)C1CC1 ZINC000181368507 385574282 /nfs/dbraw/zinc/57/42/82/385574282.db2.gz JPEIHRLUNPHWLV-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1nc(CNc2ccc(CO)c[nH+]2)cs1 ZINC000291512715 385552936 /nfs/dbraw/zinc/55/29/36/385552936.db2.gz ILFDZXZNLUDSIX-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H]1CCCO ZINC000493197367 385554081 /nfs/dbraw/zinc/55/40/81/385554081.db2.gz YFJXYKQXMXKFLJ-MVIFTORASA-N 1 2 249.314 1.186 20 0 BDADLO c1cn2c([nH+]1)CN(Cc1ccccn1)CC2 ZINC000334454635 385554884 /nfs/dbraw/zinc/55/48/84/385554884.db2.gz FNLKCGMWLUZYKL-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO COC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493743114 385614165 /nfs/dbraw/zinc/61/41/65/385614165.db2.gz VDVQCFICUVTIHF-IHWYPQMZSA-N 1 2 235.287 1.060 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC1(C)CC1 ZINC000280887292 385614613 /nfs/dbraw/zinc/61/46/13/385614613.db2.gz XVJBMMJTXAHJSM-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1cc(COc2cc[nH+]cc2)nn1C ZINC000644869851 385618684 /nfs/dbraw/zinc/61/86/84/385618684.db2.gz NJUDELUKMHJYMV-UHFFFAOYSA-N 1 2 203.245 1.703 20 0 BDADLO C[C@@H](c1ccccn1)N1CCn2c[nH+]cc2C1 ZINC000647939477 385619490 /nfs/dbraw/zinc/61/94/90/385619490.db2.gz PLNWWIWJIVICOY-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(CCO)CC1 ZINC000493841029 385628791 /nfs/dbraw/zinc/62/87/91/385628791.db2.gz WOAMJLSEMQHWPS-OWOJBTEDSA-N 1 2 249.314 1.044 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000290162157 385629685 /nfs/dbraw/zinc/62/96/85/385629685.db2.gz MAVBQDJQQXEVPN-MIMYLULJSA-N 1 2 226.276 1.047 20 0 BDADLO c1nc(N2CCSCC2)cc(NC2CC2)[nH+]1 ZINC000336650061 385612508 /nfs/dbraw/zinc/61/25/08/385612508.db2.gz DKMXGZDTKBZQSG-UHFFFAOYSA-N 1 2 236.344 1.604 20 0 BDADLO c1nc(NC2CC2)cc(N2CCSCC2)[nH+]1 ZINC000336650061 385612512 /nfs/dbraw/zinc/61/25/12/385612512.db2.gz DKMXGZDTKBZQSG-UHFFFAOYSA-N 1 2 236.344 1.604 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000340060079 385613158 /nfs/dbraw/zinc/61/31/58/385613158.db2.gz UEXRQVIWJXXNLX-NXEZZACHSA-N 1 2 219.288 1.414 20 0 BDADLO c1cnc(C[NH2+]CCN2CCCCCC2)cn1 ZINC000054766620 385640498 /nfs/dbraw/zinc/64/04/98/385640498.db2.gz JRXJZWQFSYPZHS-UHFFFAOYSA-N 1 2 234.347 1.442 20 0 BDADLO CC[N@H+](CCSC(C)C)CC(=O)OC ZINC000336683592 385648428 /nfs/dbraw/zinc/64/84/28/385648428.db2.gz JDYMTSHSMJCUGY-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO CC[N@@H+](CCSC(C)C)CC(=O)OC ZINC000336683592 385648434 /nfs/dbraw/zinc/64/84/34/385648434.db2.gz JDYMTSHSMJCUGY-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CO)c2ccsc2)o1 ZINC000336733966 385648770 /nfs/dbraw/zinc/64/87/70/385648770.db2.gz KOFBEDHQKPQBPS-JTQLQIEISA-N 1 2 238.312 1.868 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000366567341 385649519 /nfs/dbraw/zinc/64/95/19/385649519.db2.gz CIFQWKNFUHJRHD-CMPLNLGQSA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000366567341 385649525 /nfs/dbraw/zinc/64/95/25/385649525.db2.gz CIFQWKNFUHJRHD-CMPLNLGQSA-N 1 2 249.310 1.483 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ncnn1C ZINC000353338843 385659972 /nfs/dbraw/zinc/65/99/72/385659972.db2.gz UXFVKDPUVBMLEX-DTWKUNHWSA-N 1 2 249.293 1.761 20 0 BDADLO CO[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)C ZINC000270050213 385661952 /nfs/dbraw/zinc/66/19/52/385661952.db2.gz FNWNNXRRYFTJIW-SNVBAGLBSA-N 1 2 239.319 1.509 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccncc1 ZINC000281370927 385663085 /nfs/dbraw/zinc/66/30/85/385663085.db2.gz VNFDPNIJGBZSJL-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccncc1 ZINC000281370927 385663089 /nfs/dbraw/zinc/66/30/89/385663089.db2.gz VNFDPNIJGBZSJL-LLVKDONJSA-N 1 2 236.315 1.855 20 0 BDADLO CC/C=C/CC[NH+]1CCS(=O)CC1 ZINC000184544457 385674357 /nfs/dbraw/zinc/67/43/57/385674357.db2.gz YYTNTHNBYDAMCC-ONEGZZNKSA-N 1 2 201.335 1.407 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000334599195 385677196 /nfs/dbraw/zinc/67/71/96/385677196.db2.gz QTVGYTSYSAKYPU-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000334599195 385677199 /nfs/dbraw/zinc/67/71/99/385677199.db2.gz QTVGYTSYSAKYPU-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO Cc1nnc(N2CCC(n3cc[nH+]c3)CC2)o1 ZINC000340026415 385686903 /nfs/dbraw/zinc/68/69/03/385686903.db2.gz ZLDZZZLOEMXSSN-UHFFFAOYSA-N 1 2 233.275 1.416 20 0 BDADLO CC1(C)C[C@@H]([NH2+]CC(F)(F)CO)C(C)(C)O1 ZINC000184695389 385691043 /nfs/dbraw/zinc/69/10/43/385691043.db2.gz OAXCQHDLMMSSHG-MRVPVSSYSA-N 1 2 237.290 1.550 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)o1 ZINC000270269389 385691378 /nfs/dbraw/zinc/69/13/78/385691378.db2.gz XLFLLPAYVCCZET-ZDUSSCGKSA-N 1 2 249.314 1.399 20 0 BDADLO CC(C)n1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000281950301 385717850 /nfs/dbraw/zinc/71/78/50/385717850.db2.gz XCVXIEGPJGULOA-UHFFFAOYSA-N 1 2 233.275 1.299 20 0 BDADLO CCc1cc(OC)ccc1C[N@@H+]1CCNC(=O)C1 ZINC000337530936 385698003 /nfs/dbraw/zinc/69/80/03/385698003.db2.gz DBJIARKUSLDQPH-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCc1cc(OC)ccc1C[N@H+]1CCNC(=O)C1 ZINC000337530936 385698012 /nfs/dbraw/zinc/69/80/12/385698012.db2.gz DBJIARKUSLDQPH-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCN(CCO)c1cc(NCC2CC2)[nH+]cn1 ZINC000270331182 385698607 /nfs/dbraw/zinc/69/86/07/385698607.db2.gz ZVVTZFZMIBNREC-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CCN(CCO)c1cc(NCC2CC2)nc[nH+]1 ZINC000270331182 385698613 /nfs/dbraw/zinc/69/86/13/385698613.db2.gz ZVVTZFZMIBNREC-UHFFFAOYSA-N 1 2 236.319 1.117 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC000281943346 385716398 /nfs/dbraw/zinc/71/63/98/385716398.db2.gz SKXQTDJKZYDLJT-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@@H](C)F)C1CC1 ZINC000336654794 385740845 /nfs/dbraw/zinc/74/08/45/385740845.db2.gz MXWOVOZKUVEQKD-APPZFPTMSA-N 1 2 203.257 1.276 20 0 BDADLO FCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000309605636 385742557 /nfs/dbraw/zinc/74/25/57/385742557.db2.gz XTIVJYGPYRVUFF-SNVBAGLBSA-N 1 2 226.299 1.985 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCCCF ZINC000309622327 385746205 /nfs/dbraw/zinc/74/62/05/385746205.db2.gz FQMGLWGSNYIBHA-UHFFFAOYSA-N 1 2 223.255 1.618 20 0 BDADLO Cc1n[nH]cc1CNc1cccc(CO)[nH+]1 ZINC000309618897 385749547 /nfs/dbraw/zinc/74/95/47/385749547.db2.gz CQIQYACWFZHLAQ-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO O=C(C[N@@H+]1CCc2cc(F)ccc2C1)N1CCC1 ZINC000271102613 385786667 /nfs/dbraw/zinc/78/66/67/385786667.db2.gz RVNZTSBKRREQBI-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO O=C(C[N@H+]1CCc2cc(F)ccc2C1)N1CCC1 ZINC000271102613 385786673 /nfs/dbraw/zinc/78/66/73/385786673.db2.gz RVNZTSBKRREQBI-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO COC(=O)[C@]1([NH2+]CCC(C)(C)C)CCOC1 ZINC000309625731 385754760 /nfs/dbraw/zinc/75/47/60/385754760.db2.gz GILWFIWNUOOZSJ-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000336739856 385786734 /nfs/dbraw/zinc/78/67/34/385786734.db2.gz SVEVTRWRCXLDJY-NXEZZACHSA-N 1 2 231.361 1.813 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)[C@H]1C ZINC000294014892 385787140 /nfs/dbraw/zinc/78/71/40/385787140.db2.gz IVOLPXQIUPHRHI-MNOVXSKESA-N 1 2 243.310 1.744 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000309661620 385772481 /nfs/dbraw/zinc/77/24/81/385772481.db2.gz RNNOLWUPZGDYJV-VWYCJHECSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCOCC1 ZINC000257847556 385773702 /nfs/dbraw/zinc/77/37/02/385773702.db2.gz AQBORYAXASFZFW-UHFFFAOYSA-N 1 2 209.293 1.296 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CCO[C@@H](C)C2)c[nH]1 ZINC000271045567 385774926 /nfs/dbraw/zinc/77/49/26/385774926.db2.gz QJVJMZCKCXRSQE-VIFPVBQESA-N 1 2 238.287 1.022 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CCO[C@@H](C)C2)c[nH]1 ZINC000271045567 385774928 /nfs/dbraw/zinc/77/49/28/385774928.db2.gz QJVJMZCKCXRSQE-VIFPVBQESA-N 1 2 238.287 1.022 20 0 BDADLO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cncs1 ZINC000289914969 385721133 /nfs/dbraw/zinc/72/11/33/385721133.db2.gz VAPCTYXHVWXAGB-SNVBAGLBSA-N 1 2 227.377 1.961 20 0 BDADLO CO[C@H](C)CCC(=O)NCCCn1cc[nH+]c1 ZINC000182957302 385724352 /nfs/dbraw/zinc/72/43/52/385724352.db2.gz VHHLEVFEUQZZGK-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO Cc1ccc(F)cc1C[NH2+]CC(F)(F)CO ZINC000183864754 385799928 /nfs/dbraw/zinc/79/99/28/385799928.db2.gz AUZTYPHTNRSWQD-UHFFFAOYSA-N 1 2 233.233 1.851 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183918219 385803305 /nfs/dbraw/zinc/80/33/05/385803305.db2.gz QOJMAOXKRVPQBJ-BDAKNGLRSA-N 1 2 242.344 1.740 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183918219 385803308 /nfs/dbraw/zinc/80/33/08/385803308.db2.gz QOJMAOXKRVPQBJ-BDAKNGLRSA-N 1 2 242.344 1.740 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@@H]2C[C@H]2C)[nH+]1 ZINC000271206049 385803432 /nfs/dbraw/zinc/80/34/32/385803432.db2.gz RBRWQDUSJPSDJZ-RKDXNWHRSA-N 1 2 235.335 1.881 20 0 BDADLO CC(C)c1nc(N[C@@H]2C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000271206049 385803434 /nfs/dbraw/zinc/80/34/34/385803434.db2.gz RBRWQDUSJPSDJZ-RKDXNWHRSA-N 1 2 235.335 1.881 20 0 BDADLO c1coc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000271229641 385808133 /nfs/dbraw/zinc/80/81/33/385808133.db2.gz AUBQDNXTFOGHAQ-LBPRGKRZSA-N 1 2 236.315 1.186 20 0 BDADLO c1cc2c(nc[nH+]c2NCCCc2nc[nH]n2)[nH]1 ZINC000283362378 385817818 /nfs/dbraw/zinc/81/78/18/385817818.db2.gz AEALQXZANBEYSC-UHFFFAOYSA-N 1 2 243.274 1.121 20 0 BDADLO CCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000340173291 385818629 /nfs/dbraw/zinc/81/86/29/385818629.db2.gz QRPQINWHYFEGRS-SNVBAGLBSA-N 1 2 230.377 1.292 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@@H]1C(F)F ZINC000337903976 385821633 /nfs/dbraw/zinc/82/16/33/385821633.db2.gz SUOVAMJVYVXZNN-JGVFFNPUSA-N 1 2 243.257 1.280 20 0 BDADLO CCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271406742 385826190 /nfs/dbraw/zinc/82/61/90/385826190.db2.gz YAPXDWQXKIWHMI-UHFFFAOYSA-N 1 2 244.298 1.797 20 0 BDADLO CCN(C)C(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000271407022 385826310 /nfs/dbraw/zinc/82/63/10/385826310.db2.gz VDLSGDVRUOSVKU-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CCN(C)C(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000271407022 385826312 /nfs/dbraw/zinc/82/63/12/385826312.db2.gz VDLSGDVRUOSVKU-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)CCc1cnccn1 ZINC000283722766 385830230 /nfs/dbraw/zinc/83/02/30/385830230.db2.gz BIYKNMINQRYZMK-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)CCc1cnccn1 ZINC000283722766 385830235 /nfs/dbraw/zinc/83/02/35/385830235.db2.gz BIYKNMINQRYZMK-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1cnc([C@H]2CCCC[N@@H+]2CC(N)=O)s1 ZINC000366631104 385858121 /nfs/dbraw/zinc/85/81/21/385858121.db2.gz NMYBNNZUOQQUOL-SECBINFHSA-N 1 2 239.344 1.464 20 0 BDADLO Cc1cnc([C@H]2CCCC[N@H+]2CC(N)=O)s1 ZINC000366631104 385858124 /nfs/dbraw/zinc/85/81/24/385858124.db2.gz NMYBNNZUOQQUOL-SECBINFHSA-N 1 2 239.344 1.464 20 0 BDADLO Cc1coc(C)c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283874648 385838792 /nfs/dbraw/zinc/83/87/92/385838792.db2.gz HGTKYWSCPVBXIJ-JTQLQIEISA-N 1 2 247.298 1.911 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)n1 ZINC000644837028 385845798 /nfs/dbraw/zinc/84/57/98/385845798.db2.gz GFFYYISCBWLWNU-CMPLNLGQSA-N 1 2 220.272 1.069 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)n1 ZINC000644837028 385845802 /nfs/dbraw/zinc/84/58/02/385845802.db2.gz GFFYYISCBWLWNU-CMPLNLGQSA-N 1 2 220.272 1.069 20 0 BDADLO CC(C)CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271704742 385846677 /nfs/dbraw/zinc/84/66/77/385846677.db2.gz NDAKZRLYQJTTOI-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000294458366 385853752 /nfs/dbraw/zinc/85/37/52/385853752.db2.gz LNBSOJSBDTYCMG-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1ccc(CNc2ccn(C)n2)c(C)[nH+]1 ZINC000336740138 385793887 /nfs/dbraw/zinc/79/38/87/385793887.db2.gz PXVSTAREAOEKPK-UHFFFAOYSA-N 1 2 216.288 1.466 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](CO)C2)ccc1F ZINC000271155865 385794698 /nfs/dbraw/zinc/79/46/98/385794698.db2.gz CUILJNYVKRVECN-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](CO)C2)ccc1F ZINC000271155865 385794705 /nfs/dbraw/zinc/79/47/05/385794705.db2.gz CUILJNYVKRVECN-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](C)CO ZINC000271153365 385795039 /nfs/dbraw/zinc/79/50/39/385795039.db2.gz UHSLSZSVXWNUIG-QMMMGPOBSA-N 1 2 223.276 1.140 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000294711256 385886333 /nfs/dbraw/zinc/88/63/33/385886333.db2.gz FOIRNRWCBHJGDJ-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000294711256 385886335 /nfs/dbraw/zinc/88/63/35/385886335.db2.gz FOIRNRWCBHJGDJ-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CC(=O)NC(C)C)s1 ZINC000273652795 385889302 /nfs/dbraw/zinc/88/93/02/385889302.db2.gz WRYQFGAEDOXHRV-ZETCQYMHSA-N 1 2 242.348 1.022 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000294771155 385893320 /nfs/dbraw/zinc/89/33/20/385893320.db2.gz AXCBYNSULGIDMG-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1cnn(C)c1 ZINC000294771155 385893325 /nfs/dbraw/zinc/89/33/25/385893325.db2.gz AXCBYNSULGIDMG-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@H](CC(N)=O)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000272316584 385894403 /nfs/dbraw/zinc/89/44/03/385894403.db2.gz UWUHZKRDSJEQSO-SNVBAGLBSA-N 1 2 248.330 1.358 20 0 BDADLO O=S(=O)(CCC1CC1)Nc1cc[nH+]cc1 ZINC000272425638 385900889 /nfs/dbraw/zinc/90/08/89/385900889.db2.gz MMWRNEOAICGLHV-UHFFFAOYSA-N 1 2 226.301 1.623 20 0 BDADLO CC/C=C/CNc1[nH+]cnc(-n2cccn2)c1N ZINC000294871300 385907857 /nfs/dbraw/zinc/90/78/57/385907857.db2.gz BEARXFAZWRLYAM-ONEGZZNKSA-N 1 2 244.302 1.623 20 0 BDADLO Cc1nc(NC[C@@H]2CCCS2)nc(N)[nH+]1 ZINC000308914190 385908054 /nfs/dbraw/zinc/90/80/54/385908054.db2.gz XOLVWEYWHUFQBU-ZETCQYMHSA-N 1 2 225.321 1.070 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCCS2)[nH+]1 ZINC000308914190 385908055 /nfs/dbraw/zinc/90/80/55/385908055.db2.gz XOLVWEYWHUFQBU-ZETCQYMHSA-N 1 2 225.321 1.070 20 0 BDADLO Cc1csc(=O)n1CCn1cc[nH+]c1 ZINC000285261165 385911142 /nfs/dbraw/zinc/91/11/42/385911142.db2.gz QILJYLOEVPEFSN-UHFFFAOYSA-N 1 2 209.274 1.115 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294904443 385914619 /nfs/dbraw/zinc/91/46/19/385914619.db2.gz SHGAFDQMQVUDRF-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294904443 385914624 /nfs/dbraw/zinc/91/46/24/385914624.db2.gz SHGAFDQMQVUDRF-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO CC[C@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413969672 385918153 /nfs/dbraw/zinc/91/81/53/385918153.db2.gz VOKYMAWDHXQIAZ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CN(C)c1ccccc1C[NH2+]Cc1csnn1 ZINC000271963103 385864739 /nfs/dbraw/zinc/86/47/39/385864739.db2.gz HBPPPQDNVGSWMU-UHFFFAOYSA-N 1 2 248.355 1.894 20 0 BDADLO C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)c1[nH]cc[nH+]1 ZINC000647809072 385866615 /nfs/dbraw/zinc/86/66/15/385866615.db2.gz NFFKOULCJIVHOB-PRHODGIISA-N 1 2 237.303 1.138 20 0 BDADLO Fc1ccc2c(c1)C[N@@H+](CC1OCCO1)CC2 ZINC000272010252 385867489 /nfs/dbraw/zinc/86/74/89/385867489.db2.gz ARHSKXWMKNJKKA-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO Fc1ccc2c(c1)C[N@H+](CC1OCCO1)CC2 ZINC000272010252 385867491 /nfs/dbraw/zinc/86/74/91/385867491.db2.gz ARHSKXWMKNJKKA-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO CO[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000284443671 385868900 /nfs/dbraw/zinc/86/89/00/385868900.db2.gz QJGUSJSAHHXJDT-ZWNMCFTASA-N 1 2 237.303 1.210 20 0 BDADLO Cc1cnccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000294607686 385874129 /nfs/dbraw/zinc/87/41/29/385874129.db2.gz VKHPHJRMZJCHJD-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1cnccc1C[N@H+](C)CC(=O)NC(C)C ZINC000294607686 385874132 /nfs/dbraw/zinc/87/41/32/385874132.db2.gz VKHPHJRMZJCHJD-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1[nH]ccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735791 385878337 /nfs/dbraw/zinc/87/83/37/385878337.db2.gz MMMKJNWMDWJGPQ-UHFFFAOYSA-N 1 2 230.271 1.245 20 0 BDADLO Cc1[nH]ccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735791 385878341 /nfs/dbraw/zinc/87/83/41/385878341.db2.gz MMMKJNWMDWJGPQ-UHFFFAOYSA-N 1 2 230.271 1.245 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000355991562 385881441 /nfs/dbraw/zinc/88/14/41/385881441.db2.gz QXEBBNKYTAZYMQ-SKDRFNHKSA-N 1 2 236.315 1.812 20 0 BDADLO CCOc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295131168 385976519 /nfs/dbraw/zinc/97/65/19/385976519.db2.gz YKLNFFMLHGWICP-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295131168 385976525 /nfs/dbraw/zinc/97/65/25/385976525.db2.gz YKLNFFMLHGWICP-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](OC)C2CC2)CCCC1 ZINC000425412974 385980784 /nfs/dbraw/zinc/98/07/84/385980784.db2.gz APAPCBFRRUYUNF-LLVKDONJSA-N 1 2 241.331 1.487 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccn(C)n1 ZINC000414136605 385984873 /nfs/dbraw/zinc/98/48/73/385984873.db2.gz FPNABAABHAODJN-VHSXEESVSA-N 1 2 210.325 1.021 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCCO)s1 ZINC000338363940 385986467 /nfs/dbraw/zinc/98/64/67/385986467.db2.gz SEEWDXONCURBPX-ZETCQYMHSA-N 1 2 215.322 1.222 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCCO)s1 ZINC000338363940 385986471 /nfs/dbraw/zinc/98/64/71/385986471.db2.gz SEEWDXONCURBPX-ZETCQYMHSA-N 1 2 215.322 1.222 20 0 BDADLO FC(F)COCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286056751 385991326 /nfs/dbraw/zinc/99/13/26/385991326.db2.gz IZHABKYCJVMZQZ-SNVBAGLBSA-N 1 2 245.273 1.828 20 0 BDADLO FC(F)COCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286056751 385991333 /nfs/dbraw/zinc/99/13/33/385991333.db2.gz IZHABKYCJVMZQZ-SNVBAGLBSA-N 1 2 245.273 1.828 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC1(F)F ZINC000294967878 385931336 /nfs/dbraw/zinc/93/13/36/385931336.db2.gz NQMXCUJNVAYDLP-VIFPVBQESA-N 1 2 243.257 1.387 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1nnc(C)s1 ZINC000338237111 385932945 /nfs/dbraw/zinc/93/29/45/385932945.db2.gz YXAHBBQDLJLTJX-QMMMGPOBSA-N 1 2 229.349 1.876 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1nnc(C)s1 ZINC000338237111 385932946 /nfs/dbraw/zinc/93/29/46/385932946.db2.gz YXAHBBQDLJLTJX-QMMMGPOBSA-N 1 2 229.349 1.876 20 0 BDADLO CC[N@H+](CCc1nccs1)Cc1cnn[nH]1 ZINC000294985908 385934314 /nfs/dbraw/zinc/93/43/14/385934314.db2.gz PSLFZBAAKRNFSB-UHFFFAOYSA-N 1 2 237.332 1.326 20 0 BDADLO CC[N@@H+](CCc1nccs1)Cc1cnn[nH]1 ZINC000294985908 385934319 /nfs/dbraw/zinc/93/43/19/385934319.db2.gz PSLFZBAAKRNFSB-UHFFFAOYSA-N 1 2 237.332 1.326 20 0 BDADLO CC[N@H+](CCc1nccs1)Cc1c[nH]nn1 ZINC000294985908 385934325 /nfs/dbraw/zinc/93/43/25/385934325.db2.gz PSLFZBAAKRNFSB-UHFFFAOYSA-N 1 2 237.332 1.326 20 0 BDADLO CC[N@@H+](CCc1nccs1)Cc1c[nH]nn1 ZINC000294985908 385934327 /nfs/dbraw/zinc/93/43/27/385934327.db2.gz PSLFZBAAKRNFSB-UHFFFAOYSA-N 1 2 237.332 1.326 20 0 BDADLO CC[N@H+](CCc1nccs1)Cc1cn[nH]n1 ZINC000294985908 385934333 /nfs/dbraw/zinc/93/43/33/385934333.db2.gz PSLFZBAAKRNFSB-UHFFFAOYSA-N 1 2 237.332 1.326 20 0 BDADLO CC[N@@H+](CCc1nccs1)Cc1cn[nH]n1 ZINC000294985908 385934338 /nfs/dbraw/zinc/93/43/38/385934338.db2.gz PSLFZBAAKRNFSB-UHFFFAOYSA-N 1 2 237.332 1.326 20 0 BDADLO Cn1nccc1C1=CC[N@H+](Cc2c[nH]cn2)CC1 ZINC000285565456 385944388 /nfs/dbraw/zinc/94/43/88/385944388.db2.gz JWERFYUWGXWGEX-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO Cn1nccc1C1=CC[N@@H+](Cc2c[nH]cn2)CC1 ZINC000285565456 385944394 /nfs/dbraw/zinc/94/43/94/385944394.db2.gz JWERFYUWGXWGEX-UHFFFAOYSA-N 1 2 243.314 1.433 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)CC(C)(C)O ZINC000425397225 385946536 /nfs/dbraw/zinc/94/65/36/385946536.db2.gz ADBOPMFCXXTJMB-UHFFFAOYSA-N 1 2 235.234 1.210 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)CC(C)(C)O ZINC000425397225 385946539 /nfs/dbraw/zinc/94/65/39/385946539.db2.gz ADBOPMFCXXTJMB-UHFFFAOYSA-N 1 2 235.234 1.210 20 0 BDADLO O=C1C[C@@H](Nc2cccc[nH+]2)[C@H]2CCCCN12 ZINC000335050267 385947275 /nfs/dbraw/zinc/94/72/75/385947275.db2.gz LTELYVJSMBAQAF-GHMZBOCLSA-N 1 2 231.299 1.647 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2ccon2)nc1 ZINC000338301011 385950286 /nfs/dbraw/zinc/95/02/86/385950286.db2.gz KLKGWDWLZNGTEH-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cc1cc[nH+]c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000295042449 385951655 /nfs/dbraw/zinc/95/16/55/385951655.db2.gz WUSCNWKPHZLNAX-UHFFFAOYSA-N 1 2 229.287 1.998 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)nc1C ZINC000334547700 385954891 /nfs/dbraw/zinc/95/48/91/385954891.db2.gz OWXWZHDDZISTLY-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccnn2C)c[nH+]1 ZINC000335056516 385955579 /nfs/dbraw/zinc/95/55/79/385955579.db2.gz GNCQRVRAZVRTEJ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2ccncc2)C[C@@H](CO)O1 ZINC000425991463 385957001 /nfs/dbraw/zinc/95/70/01/385957001.db2.gz VVNMKENACBQUOX-DEOOVVBZSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2ccncc2)C[C@@H](CO)O1 ZINC000425991463 385957005 /nfs/dbraw/zinc/95/70/05/385957005.db2.gz VVNMKENACBQUOX-DEOOVVBZSA-N 1 2 248.326 1.176 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CO[C@H](C)C2)cc(C)[nH+]1 ZINC000335058189 385959269 /nfs/dbraw/zinc/95/92/69/385959269.db2.gz YWCFBFXBYPJNMQ-DGCLKSJQSA-N 1 2 248.326 1.740 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1COC[C@H]1O ZINC000285733190 385961947 /nfs/dbraw/zinc/96/19/47/385961947.db2.gz XQLCKDMTWVGPFB-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1COC[C@H]1O ZINC000285733190 385961951 /nfs/dbraw/zinc/96/19/51/385961951.db2.gz XQLCKDMTWVGPFB-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO CCOC[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000072975988 385962592 /nfs/dbraw/zinc/96/25/92/385962592.db2.gz XWDPCSBWCWXUGO-NSHDSACASA-N 1 2 239.319 1.627 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000072975988 385962601 /nfs/dbraw/zinc/96/26/01/385962601.db2.gz XWDPCSBWCWXUGO-NSHDSACASA-N 1 2 239.319 1.627 20 0 BDADLO C[C@@H](NCC[NH+]1CCC1)c1cc2n(n1)CCC2 ZINC000414101402 385965403 /nfs/dbraw/zinc/96/54/03/385965403.db2.gz LXDXZZWDWONZJL-LLVKDONJSA-N 1 2 234.347 1.186 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000644850150 385968106 /nfs/dbraw/zinc/96/81/06/385968106.db2.gz WTNHLFTZUAZHNR-WISYIIOYSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1cc[nH+]cc1N1CCN(C(=O)C(C)C)CC1 ZINC000335012523 385969541 /nfs/dbraw/zinc/96/95/41/385969541.db2.gz ZFLSRHJJFSKROU-UHFFFAOYSA-N 1 2 247.342 1.695 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000189444684 385999649 /nfs/dbraw/zinc/99/96/49/385999649.db2.gz LSIRPNAGUGOKNO-CABZTGNLSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000189444684 385999655 /nfs/dbraw/zinc/99/96/55/385999655.db2.gz LSIRPNAGUGOKNO-CABZTGNLSA-N 1 2 240.303 1.219 20 0 BDADLO C[C@@H](CO)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000335067521 386010024 /nfs/dbraw/zinc/01/00/24/386010024.db2.gz CKCMSVZCPLUEIE-QMMMGPOBSA-N 1 2 237.278 1.529 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000295323652 386011549 /nfs/dbraw/zinc/01/15/49/386011549.db2.gz LMXIRCGKXXUTFZ-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000295323652 386011554 /nfs/dbraw/zinc/01/15/54/386011554.db2.gz LMXIRCGKXXUTFZ-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO COC(=O)C[N@H+](C)[C@H]1CCCc2cccnc21 ZINC000365294321 386014673 /nfs/dbraw/zinc/01/46/73/386014673.db2.gz WEQWRRCQQRJCMZ-NSHDSACASA-N 1 2 234.299 1.564 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H]1CCCc2cccnc21 ZINC000365294321 386014679 /nfs/dbraw/zinc/01/46/79/386014679.db2.gz WEQWRRCQQRJCMZ-NSHDSACASA-N 1 2 234.299 1.564 20 0 BDADLO CC[C@@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)CCO1 ZINC000335069810 386017399 /nfs/dbraw/zinc/01/73/99/386017399.db2.gz RDSMUAHVJHMWAU-NXEZZACHSA-N 1 2 237.303 1.406 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1nc(C2CC2)c[nH]1 ZINC000643269996 386017922 /nfs/dbraw/zinc/01/79/22/386017922.db2.gz DVAJDSLZTWRYPA-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)C(C)C ZINC000414182830 386025361 /nfs/dbraw/zinc/02/53/61/386025361.db2.gz MXHNNWZCKGBXKE-WCQGTBRESA-N 1 2 243.347 1.587 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@H](C)C2 ZINC000414195759 386032029 /nfs/dbraw/zinc/03/20/29/386032029.db2.gz ZCOLXRSQXXSHFW-NQBHXWOUSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@H](C)C2 ZINC000414195759 386032037 /nfs/dbraw/zinc/03/20/37/386032037.db2.gz ZCOLXRSQXXSHFW-NQBHXWOUSA-N 1 2 224.348 1.981 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000334438621 386048097 /nfs/dbraw/zinc/04/80/97/386048097.db2.gz KCVQJKNYHLZHTN-LBPRGKRZSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000334438621 386048101 /nfs/dbraw/zinc/04/81/01/386048101.db2.gz KCVQJKNYHLZHTN-LBPRGKRZSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(=O)[nH]c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000340233002 386050084 /nfs/dbraw/zinc/05/00/84/386050084.db2.gz WHVWUBDOFLCYLP-UHFFFAOYSA-N 1 2 243.266 1.473 20 0 BDADLO CC[C@@H](C)n1nc(NCc2[nH]cc[nH+]2)cc1C ZINC000345185202 386053852 /nfs/dbraw/zinc/05/38/52/386053852.db2.gz KJCKCKUUVXKZIB-SECBINFHSA-N 1 2 233.319 1.920 20 0 BDADLO CC(C)(CNc1cccc[nH+]1)[C@]1(O)CCOC1 ZINC000645368905 386055617 /nfs/dbraw/zinc/05/56/17/386055617.db2.gz REKWAUUNYYRJHJ-ZDUSSCGKSA-N 1 2 236.315 1.671 20 0 BDADLO c1nc(N2C[C@@H]3CCC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000647871743 386107861 /nfs/dbraw/zinc/10/78/61/386107861.db2.gz LRSNSGGIMWAYEM-AOOOYVTPSA-N 1 2 246.314 1.517 20 0 BDADLO c1nc2c(c(N3C[C@@H]4CCC[C@@H]4C3)[nH+]1)OCCN2 ZINC000647871743 386107868 /nfs/dbraw/zinc/10/78/68/386107868.db2.gz LRSNSGGIMWAYEM-AOOOYVTPSA-N 1 2 246.314 1.517 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](O)C[C@@H]1C ZINC000334456964 386111583 /nfs/dbraw/zinc/11/15/83/386111583.db2.gz BDSRBFWCVAWZNP-GXSJLCMTSA-N 1 2 249.314 1.685 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](CCO)c2ccco2)c[nH+]1 ZINC000274531644 386113022 /nfs/dbraw/zinc/11/30/22/386113022.db2.gz ISVLNFSHRBUBLB-SECBINFHSA-N 1 2 249.270 1.165 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC(C2CC2)C1 ZINC000643288785 386059183 /nfs/dbraw/zinc/05/91/83/386059183.db2.gz FKTQQQSEJIPIMD-NSHDSACASA-N 1 2 245.326 1.314 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](C/C=C/Cl)[C@H]12 ZINC000366643084 386068601 /nfs/dbraw/zinc/06/86/01/386068601.db2.gz OLNXIWUQMLDIFP-JSMADHFBSA-N 1 2 215.680 1.376 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](C/C=C/Cl)[C@H]12 ZINC000366643084 386068606 /nfs/dbraw/zinc/06/86/06/386068606.db2.gz OLNXIWUQMLDIFP-JSMADHFBSA-N 1 2 215.680 1.376 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000334445130 386079258 /nfs/dbraw/zinc/07/92/58/386079258.db2.gz OBIKGAIBPDVARI-KOLCDFICSA-N 1 2 229.283 1.863 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000345262163 386084953 /nfs/dbraw/zinc/08/49/53/386084953.db2.gz GYLZSMMOFWCLSI-UTUOFQBUSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c[nH+]1 ZINC000274303058 386089242 /nfs/dbraw/zinc/08/92/42/386089242.db2.gz STUGVRHMGLQAED-JQWIXIFHSA-N 1 2 249.314 1.406 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CCC1CC1)C(=O)OC ZINC000336772750 386093783 /nfs/dbraw/zinc/09/37/83/386093783.db2.gz VPYZXKAOSZLMCB-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000287063207 386093872 /nfs/dbraw/zinc/09/38/72/386093872.db2.gz HLLOTPFFAROOCE-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334458852 386099854 /nfs/dbraw/zinc/09/98/54/386099854.db2.gz KTISZEBSTFHMID-CMPLNLGQSA-N 1 2 247.342 1.702 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000274751675 386146334 /nfs/dbraw/zinc/14/63/34/386146334.db2.gz LKJSOPUUGUHVDC-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccc(O)c1 ZINC000190082605 386146764 /nfs/dbraw/zinc/14/67/64/386146764.db2.gz BIZYTNLQPGGOOP-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc(O)c1 ZINC000190082605 386146767 /nfs/dbraw/zinc/14/67/67/386146767.db2.gz BIZYTNLQPGGOOP-JTQLQIEISA-N 1 2 234.299 1.055 20 0 BDADLO COc1ccccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190085669 386147065 /nfs/dbraw/zinc/14/70/65/386147065.db2.gz RSBTUWJKPSIILZ-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190085669 386147067 /nfs/dbraw/zinc/14/70/67/386147067.db2.gz RSBTUWJKPSIILZ-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000190079193 386147601 /nfs/dbraw/zinc/14/76/01/386147601.db2.gz ZXKVWGIVXOGNBF-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000190079193 386147604 /nfs/dbraw/zinc/14/76/04/386147604.db2.gz ZXKVWGIVXOGNBF-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO CC(=O)[C@@](C)(O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000335154078 386148968 /nfs/dbraw/zinc/14/89/68/386148968.db2.gz FIVSTOUCUZMZJC-ZDUSSCGKSA-N 1 2 237.274 1.481 20 0 BDADLO CC(=O)[C@@](C)(O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000335154078 386148980 /nfs/dbraw/zinc/14/89/80/386148980.db2.gz FIVSTOUCUZMZJC-ZDUSSCGKSA-N 1 2 237.274 1.481 20 0 BDADLO CSC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000287841639 386151055 /nfs/dbraw/zinc/15/10/55/386151055.db2.gz DMHJNIFBAUGLQY-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)nc1 ZINC000338896942 386169894 /nfs/dbraw/zinc/16/98/94/386169894.db2.gz AXRSNDUHGYBCIF-CYBMUJFWSA-N 1 2 247.342 1.484 20 0 BDADLO CCc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)nc1 ZINC000338896942 386169898 /nfs/dbraw/zinc/16/98/98/386169898.db2.gz AXRSNDUHGYBCIF-CYBMUJFWSA-N 1 2 247.342 1.484 20 0 BDADLO Cc1nc(NC[C@@H](C)CC(F)F)cc[nH+]1 ZINC000645305042 386171292 /nfs/dbraw/zinc/17/12/92/386171292.db2.gz ONLANROTXPSIDW-ZETCQYMHSA-N 1 2 215.247 1.910 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@]12C[C@@H]1CCC2 ZINC000643303824 386174986 /nfs/dbraw/zinc/17/49/86/386174986.db2.gz UWTZZKDIHRKELO-WDMOLILDSA-N 1 2 245.326 1.504 20 0 BDADLO CC(C)(C(=O)NCc1ccoc1)c1c[nH]c[nH+]1 ZINC000346289129 386191016 /nfs/dbraw/zinc/19/10/16/386191016.db2.gz BMVKUFLJRSWZNV-UHFFFAOYSA-N 1 2 233.271 1.597 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C)nn1 ZINC000414373377 386176901 /nfs/dbraw/zinc/17/69/01/386176901.db2.gz RULKOQVNYYZKPH-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C)nn1 ZINC000414373377 386176904 /nfs/dbraw/zinc/17/69/04/386176904.db2.gz RULKOQVNYYZKPH-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)NC(C)C)nc1 ZINC000338922350 386179967 /nfs/dbraw/zinc/17/99/67/386179967.db2.gz WPIGZKUNZLWRNG-UHFFFAOYSA-N 1 2 249.358 1.600 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)NC(C)C)nc1 ZINC000338922350 386179971 /nfs/dbraw/zinc/17/99/71/386179971.db2.gz WPIGZKUNZLWRNG-UHFFFAOYSA-N 1 2 249.358 1.600 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC000275108700 386181017 /nfs/dbraw/zinc/18/10/17/386181017.db2.gz FPTVGPINXVPOPE-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC000275108700 386181021 /nfs/dbraw/zinc/18/10/21/386181021.db2.gz FPTVGPINXVPOPE-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C(C)(F)F ZINC000338932196 386181210 /nfs/dbraw/zinc/18/12/10/386181210.db2.gz ZERPQJUPJNXQSY-BDAKNGLRSA-N 1 2 245.273 1.679 20 0 BDADLO Cc1cc[nH+]c(NC[C@H](C)O)c1Cl ZINC000307193274 386191101 /nfs/dbraw/zinc/19/11/01/386191101.db2.gz NRIAZLPXSDEGTM-ZETCQYMHSA-N 1 2 200.669 1.836 20 0 BDADLO CCS[C@@H]1CCCC[N@H+](Cc2c[nH]nn2)C1 ZINC000340278226 386191191 /nfs/dbraw/zinc/19/11/91/386191191.db2.gz LKVXCHUYXJBKNE-LLVKDONJSA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@@H]1CCCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000340278226 386191195 /nfs/dbraw/zinc/19/11/95/386191195.db2.gz LKVXCHUYXJBKNE-LLVKDONJSA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@@H]1CCCC[N@H+](Cc2cnn[nH]2)C1 ZINC000340278226 386191197 /nfs/dbraw/zinc/19/11/97/386191197.db2.gz LKVXCHUYXJBKNE-LLVKDONJSA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@@H]1CCCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000340278226 386191201 /nfs/dbraw/zinc/19/12/01/386191201.db2.gz LKVXCHUYXJBKNE-LLVKDONJSA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@@H]1CCCC[N@H+](Cc2cn[nH]n2)C1 ZINC000340278226 386191203 /nfs/dbraw/zinc/19/12/03/386191203.db2.gz LKVXCHUYXJBKNE-LLVKDONJSA-N 1 2 240.376 1.912 20 0 BDADLO CCS[C@@H]1CCCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000340278226 386191209 /nfs/dbraw/zinc/19/12/09/386191209.db2.gz LKVXCHUYXJBKNE-LLVKDONJSA-N 1 2 240.376 1.912 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000296021541 386124632 /nfs/dbraw/zinc/12/46/32/386124632.db2.gz MLHUYRRACJYAAL-NSHDSACASA-N 1 2 211.284 1.744 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000296021541 386124637 /nfs/dbraw/zinc/12/46/37/386124637.db2.gz MLHUYRRACJYAAL-NSHDSACASA-N 1 2 211.284 1.744 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000274605446 386127945 /nfs/dbraw/zinc/12/79/45/386127945.db2.gz OFSPDFZJKIOZJE-NXEZZACHSA-N 1 2 221.304 1.328 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccccn2)nc(N)[nH+]1 ZINC000310122105 386129503 /nfs/dbraw/zinc/12/95/03/386129503.db2.gz VAUYVAPFFDCSSS-ZETCQYMHSA-N 1 2 230.275 1.330 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)c2ccccn2)[nH+]1 ZINC000310122105 386129509 /nfs/dbraw/zinc/12/95/09/386129509.db2.gz VAUYVAPFFDCSSS-ZETCQYMHSA-N 1 2 230.275 1.330 20 0 BDADLO Cc1nc(N[C@H](C)c2ccccn2)nc(N)[nH+]1 ZINC000310122104 386130344 /nfs/dbraw/zinc/13/03/44/386130344.db2.gz VAUYVAPFFDCSSS-SSDOTTSWSA-N 1 2 230.275 1.330 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)c2ccccn2)[nH+]1 ZINC000310122104 386130370 /nfs/dbraw/zinc/13/03/70/386130370.db2.gz VAUYVAPFFDCSSS-SSDOTTSWSA-N 1 2 230.275 1.330 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274611010 386130495 /nfs/dbraw/zinc/13/04/95/386130495.db2.gz ONCJEHQXBPTVJU-WOPDTQHZSA-N 1 2 235.331 1.680 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)C1CC1 ZINC000287555467 386135782 /nfs/dbraw/zinc/13/57/82/386135782.db2.gz MEXXKECILYIVGX-UHFFFAOYSA-N 1 2 235.331 1.815 20 0 BDADLO CCOc1ccc(OC(=O)C[NH+](C)C)cc1 ZINC000263878778 386189374 /nfs/dbraw/zinc/18/93/74/386189374.db2.gz HZWQUKLTLIAVNP-UHFFFAOYSA-N 1 2 223.272 1.552 20 0 BDADLO Cc1cnc(C[NH+]2CC3(C2)CCOC3)s1 ZINC000296106674 386137029 /nfs/dbraw/zinc/13/70/29/386137029.db2.gz SENHLXKSWJOMFX-UHFFFAOYSA-N 1 2 224.329 1.674 20 0 BDADLO Cc1ccoc1C[N@H+](C1CC1)C1COC1 ZINC000296103859 386137139 /nfs/dbraw/zinc/13/71/39/386137139.db2.gz RZBNGYFIQLKYDD-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1ccoc1C[N@@H+](C1CC1)C1COC1 ZINC000296103859 386137150 /nfs/dbraw/zinc/13/71/50/386137150.db2.gz RZBNGYFIQLKYDD-UHFFFAOYSA-N 1 2 207.273 1.951 20 0 BDADLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000287598774 386137502 /nfs/dbraw/zinc/13/75/02/386137502.db2.gz XHOXHDYDIVJEBP-UHFFFAOYSA-N 1 2 207.277 1.462 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000274681254 386138189 /nfs/dbraw/zinc/13/81/89/386138189.db2.gz JTRWPZBVOLPJAT-ZJUUUORDSA-N 1 2 221.304 1.626 20 0 BDADLO CCC[C@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287640186 386139474 /nfs/dbraw/zinc/13/94/74/386139474.db2.gz NSZWZWWLADBJKD-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO Cc1nnc(NCCCNc2cccc[nH+]2)o1 ZINC000275333167 386201813 /nfs/dbraw/zinc/20/18/13/386201813.db2.gz GGRADJZOIQXGIZ-UHFFFAOYSA-N 1 2 233.275 1.687 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOC1CCC1 ZINC000347059934 386208884 /nfs/dbraw/zinc/20/88/84/386208884.db2.gz SEUIKKDTQOOADS-UVWXRNBGSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOC1CCC1 ZINC000347059934 386208890 /nfs/dbraw/zinc/20/88/90/386208890.db2.gz SEUIKKDTQOOADS-UVWXRNBGSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H](O)c1ccccc1 ZINC000288539859 386213164 /nfs/dbraw/zinc/21/31/64/386213164.db2.gz KSYBQIUVIGCIAI-GXFFZTMASA-N 1 2 231.299 1.621 20 0 BDADLO c1nc(N2CCCC2)cc(N[C@H]2CCCOC2)[nH+]1 ZINC000275511323 386217018 /nfs/dbraw/zinc/21/70/18/386217018.db2.gz BPRZRYGYLHMYGE-NSHDSACASA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(N[C@H]2CCCOC2)cc(N2CCCC2)[nH+]1 ZINC000275511323 386217025 /nfs/dbraw/zinc/21/70/25/386217025.db2.gz BPRZRYGYLHMYGE-NSHDSACASA-N 1 2 248.330 1.668 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264208243 386217158 /nfs/dbraw/zinc/21/71/58/386217158.db2.gz RNXOCYVQJXGEKL-AAEUAGOBSA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264208243 386217161 /nfs/dbraw/zinc/21/71/61/386217161.db2.gz RNXOCYVQJXGEKL-AAEUAGOBSA-N 1 2 249.285 1.931 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(C)CCC1 ZINC000339033940 386217912 /nfs/dbraw/zinc/21/79/12/386217912.db2.gz PSGFGCHPGQOBPG-SNVBAGLBSA-N 1 2 236.319 1.513 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC000296986603 386218764 /nfs/dbraw/zinc/21/87/64/386218764.db2.gz FUTMEZGZMHOCNN-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)c(C)n1C ZINC000264251894 386221026 /nfs/dbraw/zinc/22/10/26/386221026.db2.gz BMQVREAZLCIJKM-UHFFFAOYSA-N 1 2 246.314 1.305 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)CCOCC1CC1 ZINC000347033320 386223010 /nfs/dbraw/zinc/22/30/10/386223010.db2.gz MXSPIOUTTVJBLE-SNVBAGLBSA-N 1 2 238.335 1.235 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)CCOCC1CC1 ZINC000347033320 386223020 /nfs/dbraw/zinc/22/30/20/386223020.db2.gz MXSPIOUTTVJBLE-SNVBAGLBSA-N 1 2 238.335 1.235 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH+]ccn2C)[nH]n1 ZINC000264272802 386223029 /nfs/dbraw/zinc/22/30/29/386223029.db2.gz GNILQDLMENVJDF-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CSCC[N@H+](C)[C@H](C)c1nncn1C ZINC000347033296 386223505 /nfs/dbraw/zinc/22/35/05/386223505.db2.gz MWRGJCJCPMKZOK-MRVPVSSYSA-N 1 2 214.338 1.171 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)c1nncn1C ZINC000347033296 386223507 /nfs/dbraw/zinc/22/35/07/386223507.db2.gz MWRGJCJCPMKZOK-MRVPVSSYSA-N 1 2 214.338 1.171 20 0 BDADLO C[C@@H]1C[N@H+](CCOC2CCC2)CC[S@]1=O ZINC000347038260 386226069 /nfs/dbraw/zinc/22/60/69/386226069.db2.gz UWKRFDQELVRIPJ-MEBBXXQBSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC2CCC2)CC[S@]1=O ZINC000347038260 386226071 /nfs/dbraw/zinc/22/60/71/386226071.db2.gz UWKRFDQELVRIPJ-MEBBXXQBSA-N 1 2 231.361 1.008 20 0 BDADLO Cc1ccc(CNc2ccc(N(C)C)[nH+]c2)nn1 ZINC000414384526 386232183 /nfs/dbraw/zinc/23/21/83/386232183.db2.gz VNDSBLTVBYZJLB-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CC[C@H](NC(=O)CCC(C)=O)c1[nH]cc[nH+]1 ZINC000125176017 386233419 /nfs/dbraw/zinc/23/34/19/386233419.db2.gz GQVIHNKYNXSUQL-VIFPVBQESA-N 1 2 223.276 1.346 20 0 BDADLO CC(C)C(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000275765674 386238702 /nfs/dbraw/zinc/23/87/02/386238702.db2.gz AIAFGUSDGAENIM-UHFFFAOYSA-N 1 2 209.293 1.708 20 0 BDADLO CC[N@H+](CCc1cccs1)Cc1cnn[nH]1 ZINC000297261692 386238821 /nfs/dbraw/zinc/23/88/21/386238821.db2.gz WBJHHFXFMUGDGW-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO CC[N@@H+](CCc1cccs1)Cc1cnn[nH]1 ZINC000297261692 386238827 /nfs/dbraw/zinc/23/88/27/386238827.db2.gz WBJHHFXFMUGDGW-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO CC[N@H+](CCc1cccs1)Cc1c[nH]nn1 ZINC000297261692 386238832 /nfs/dbraw/zinc/23/88/32/386238832.db2.gz WBJHHFXFMUGDGW-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO CC[N@@H+](CCc1cccs1)Cc1c[nH]nn1 ZINC000297261692 386238837 /nfs/dbraw/zinc/23/88/37/386238837.db2.gz WBJHHFXFMUGDGW-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO CC[N@H+](CCc1cccs1)Cc1cn[nH]n1 ZINC000297261692 386238842 /nfs/dbraw/zinc/23/88/42/386238842.db2.gz WBJHHFXFMUGDGW-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO CC[N@@H+](CCc1cccs1)Cc1cn[nH]n1 ZINC000297261692 386238845 /nfs/dbraw/zinc/23/88/45/386238845.db2.gz WBJHHFXFMUGDGW-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO C[C@H]([NH2+]CN1CCC(=O)CC1)c1ccccn1 ZINC000275797435 386241614 /nfs/dbraw/zinc/24/16/14/386241614.db2.gz OIZAYEJNOKMJRR-NSHDSACASA-N 1 2 233.315 1.355 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCc3occc3C2)n1C ZINC000288949930 386243343 /nfs/dbraw/zinc/24/33/43/386243343.db2.gz XLICZFCZVTXJMU-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO Cc1nnc(C[N@H+]2CCCc3occc3C2)n1C ZINC000288949930 386243348 /nfs/dbraw/zinc/24/33/48/386243348.db2.gz XLICZFCZVTXJMU-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC(C)(C)C ZINC000339091786 386243250 /nfs/dbraw/zinc/24/32/50/386243250.db2.gz UAXCSFWIYNTMLG-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CC[C@H](NC(=O)CSC)c1[nH]cc[nH+]1 ZINC000125341514 386248933 /nfs/dbraw/zinc/24/89/33/386248933.db2.gz VHIPBVXCMRHRMP-ZETCQYMHSA-N 1 2 213.306 1.340 20 0 BDADLO Cc1csc(C[NH+]2CC(C(C)(C)O)C2)n1 ZINC000297392166 386251913 /nfs/dbraw/zinc/25/19/13/386251913.db2.gz KPFMRJIDFPSZQT-UHFFFAOYSA-N 1 2 226.345 1.654 20 0 BDADLO CC/C=C/CNC(=O)Cc1[nH]c[nH+]c1C ZINC000296721492 386194648 /nfs/dbraw/zinc/19/46/48/386194648.db2.gz AGWUILMHEICKIB-SNAWJCMRSA-N 1 2 207.277 1.343 20 0 BDADLO CC/C=C/CNC(=O)Cc1[nH+]c[nH]c1C ZINC000296721492 386194652 /nfs/dbraw/zinc/19/46/52/386194652.db2.gz AGWUILMHEICKIB-SNAWJCMRSA-N 1 2 207.277 1.343 20 0 BDADLO COc1ncncc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000648001075 386196385 /nfs/dbraw/zinc/19/63/85/386196385.db2.gz UVLGYSKDFCQFGY-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000648001075 386196388 /nfs/dbraw/zinc/19/63/88/386196388.db2.gz UVLGYSKDFCQFGY-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000338995772 386198715 /nfs/dbraw/zinc/19/87/15/386198715.db2.gz CMZQKPZKNZJMHW-LBPRGKRZSA-N 1 2 243.278 1.332 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000338995772 386198719 /nfs/dbraw/zinc/19/87/19/386198719.db2.gz CMZQKPZKNZJMHW-LBPRGKRZSA-N 1 2 243.278 1.332 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1nncn1C ZINC000264885896 386281060 /nfs/dbraw/zinc/28/10/60/386281060.db2.gz RZOQBPJQLFGFMG-MRVPVSSYSA-N 1 2 244.302 1.656 20 0 BDADLO C[C@@H](O)CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289358715 386289368 /nfs/dbraw/zinc/28/93/68/386289368.db2.gz YZKFYDPIZBDNCV-ZYHUDNBSSA-N 1 2 246.314 1.255 20 0 BDADLO CC[C@@H](C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347290539 386291942 /nfs/dbraw/zinc/29/19/42/386291942.db2.gz UYTCDJCEHQKMLQ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C(C)C)o1 ZINC000336666159 386292370 /nfs/dbraw/zinc/29/23/70/386292370.db2.gz FUHNWYIZMGJTKP-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C(C)C)o1 ZINC000336666159 386292375 /nfs/dbraw/zinc/29/23/75/386292375.db2.gz FUHNWYIZMGJTKP-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000276281482 386296226 /nfs/dbraw/zinc/29/62/26/386296226.db2.gz IKJLJSAGUPUTSA-YUMQZZPRSA-N 1 2 235.291 1.199 20 0 BDADLO Cn1ncc2c1nc(NC1CCCC1)[nH+]c2N ZINC000276306502 386298646 /nfs/dbraw/zinc/29/86/46/386298646.db2.gz RQWMFQIFJAXQQM-UHFFFAOYSA-N 1 2 232.291 1.300 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@H]2C[C@H]2C)[nH+]cn1 ZINC000298166202 386304085 /nfs/dbraw/zinc/30/40/85/386304085.db2.gz FJVYNSNNGNCNBO-KXUCPTDWSA-N 1 2 236.319 1.337 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@H]2C[C@H]2C)nc[nH+]1 ZINC000298166202 386304090 /nfs/dbraw/zinc/30/40/90/386304090.db2.gz FJVYNSNNGNCNBO-KXUCPTDWSA-N 1 2 236.319 1.337 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(OC)CC1 ZINC000648410447 386305497 /nfs/dbraw/zinc/30/54/97/386305497.db2.gz VTCPPEATCANQDI-VIFPVBQESA-N 1 2 237.303 1.259 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cn[nH]c2C)[C@@H]1C ZINC000347261305 386308458 /nfs/dbraw/zinc/30/84/58/386308458.db2.gz LVJHEYIXZSEERX-KOLCDFICSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cn[nH]c2C)[C@@H]1C ZINC000347261305 386308460 /nfs/dbraw/zinc/30/84/60/386308460.db2.gz LVJHEYIXZSEERX-KOLCDFICSA-N 1 2 237.303 1.102 20 0 BDADLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCOC1=O ZINC000298212329 386308564 /nfs/dbraw/zinc/30/85/64/386308564.db2.gz VRFLRVPNJCKTPD-LLVKDONJSA-N 1 2 241.237 1.712 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCOC1=O ZINC000298212329 386308569 /nfs/dbraw/zinc/30/85/69/386308569.db2.gz VRFLRVPNJCKTPD-LLVKDONJSA-N 1 2 241.237 1.712 20 0 BDADLO CSCCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187086089 386313388 /nfs/dbraw/zinc/31/33/88/386313388.db2.gz JVAJFTIOWRUKRQ-UHFFFAOYSA-N 1 2 244.404 1.540 20 0 BDADLO CSCCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187086089 386313391 /nfs/dbraw/zinc/31/33/91/386313391.db2.gz JVAJFTIOWRUKRQ-UHFFFAOYSA-N 1 2 244.404 1.540 20 0 BDADLO O=C(C=C(C1CC1)C1CC1)NCc1[nH]cc[nH+]1 ZINC000265151669 386313774 /nfs/dbraw/zinc/31/37/74/386313774.db2.gz YWXBAOOUFCJQHU-UHFFFAOYSA-N 1 2 231.299 1.772 20 0 BDADLO Cc1coc(SCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000298250611 386314408 /nfs/dbraw/zinc/31/44/08/386314408.db2.gz MZISICNFJXXNJZ-JTQLQIEISA-N 1 2 242.344 1.796 20 0 BDADLO Cc1coc(SCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000298250611 386314412 /nfs/dbraw/zinc/31/44/12/386314412.db2.gz MZISICNFJXXNJZ-JTQLQIEISA-N 1 2 242.344 1.796 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(C)ccc1F ZINC000276387838 386314632 /nfs/dbraw/zinc/31/46/32/386314632.db2.gz BOVJBIMSNIOIFE-UHFFFAOYSA-N 1 2 224.279 1.441 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(C)ccc1F ZINC000276387838 386314638 /nfs/dbraw/zinc/31/46/38/386314638.db2.gz BOVJBIMSNIOIFE-UHFFFAOYSA-N 1 2 224.279 1.441 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000289480157 386314624 /nfs/dbraw/zinc/31/46/24/386314624.db2.gz JWWUZDNJZJSRON-ZDUSSCGKSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000289480157 386314629 /nfs/dbraw/zinc/31/46/29/386314629.db2.gz JWWUZDNJZJSRON-ZDUSSCGKSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC(CO)CC2)s1 ZINC000347282426 386318158 /nfs/dbraw/zinc/31/81/58/386318158.db2.gz HUBTWXAZACGYHD-QMMMGPOBSA-N 1 2 241.360 1.612 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC1 ZINC000298289315 386320787 /nfs/dbraw/zinc/32/07/87/386320787.db2.gz QLLYDXDGDXWAIP-NSHDSACASA-N 1 2 233.315 1.097 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC1 ZINC000298289315 386320792 /nfs/dbraw/zinc/32/07/92/386320792.db2.gz QLLYDXDGDXWAIP-NSHDSACASA-N 1 2 233.315 1.097 20 0 BDADLO Cn1ncc(C[NH2+]C(C)(C)c2cccc(F)c2)n1 ZINC000289520147 386322779 /nfs/dbraw/zinc/32/27/79/386322779.db2.gz MLQKSMDTWSLVGV-UHFFFAOYSA-N 1 2 248.305 1.979 20 0 BDADLO CCC1(C)C[NH+](Cc2cn3cccnc3n2)C1 ZINC000297518584 386261510 /nfs/dbraw/zinc/26/15/10/386261510.db2.gz XWJDCXKLLSFKAY-UHFFFAOYSA-N 1 2 230.315 1.961 20 0 BDADLO Nc1[nH+]cnc(NCC2CCOCC2)c1Cl ZINC000236390707 386261485 /nfs/dbraw/zinc/26/14/85/386261485.db2.gz AQVSYMCGIYUHQH-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BDADLO Nc1nc[nH+]c(NCC2CCOCC2)c1Cl ZINC000236390707 386261487 /nfs/dbraw/zinc/26/14/87/386261487.db2.gz AQVSYMCGIYUHQH-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000264731234 386267291 /nfs/dbraw/zinc/26/72/91/386267291.db2.gz PNDYXTMCKIPWHT-ZJUUUORDSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccno2)C[C@@H](C)O1 ZINC000264731234 386267296 /nfs/dbraw/zinc/26/72/96/386267296.db2.gz PNDYXTMCKIPWHT-ZJUUUORDSA-N 1 2 210.277 1.674 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCCO2)nc1 ZINC000336676117 386323769 /nfs/dbraw/zinc/32/37/69/386323769.db2.gz AMXPJECOIUHBAF-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCO2)nc1 ZINC000336676117 386323775 /nfs/dbraw/zinc/32/37/75/386323775.db2.gz AMXPJECOIUHBAF-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CS[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298440669 386344421 /nfs/dbraw/zinc/34/44/21/386344421.db2.gz IDRMOPXOJCMSEK-QMMMGPOBSA-N 1 2 227.333 1.130 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000276583204 386348814 /nfs/dbraw/zinc/34/88/14/386348814.db2.gz JORPFGIQUKIYNW-VHSXEESVSA-N 1 2 237.303 1.402 20 0 BDADLO CN(C[C@@H]1CCCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276612359 386354953 /nfs/dbraw/zinc/35/49/53/386354953.db2.gz PRZOHACUQRYOFU-FYJFLYSWSA-N 1 2 249.314 1.450 20 0 BDADLO C[C@@H]1C(=O)N(C)CN1c1[nH]c2ccccc2[nH+]1 ZINC000645397192 386356708 /nfs/dbraw/zinc/35/67/08/386356708.db2.gz NIHHZNPGVPCLIU-MRVPVSSYSA-N 1 2 230.271 1.187 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000276629058 386357617 /nfs/dbraw/zinc/35/76/17/386357617.db2.gz SFAAWRHKQPWXLQ-LLVKDONJSA-N 1 2 237.347 1.857 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[C@H]1C ZINC000298581864 386361002 /nfs/dbraw/zinc/36/10/02/386361002.db2.gz MTCFTGROTWZDSN-MXWKQRLJSA-N 1 2 236.319 1.227 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(O)CCCCC1 ZINC000276676401 386363277 /nfs/dbraw/zinc/36/32/77/386363277.db2.gz ZXLGXYVGNZHQJN-SNAWJCMRSA-N 1 2 249.314 1.234 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCO2)nc1 ZINC000336690259 386372526 /nfs/dbraw/zinc/37/25/26/386372526.db2.gz APKMLTQDLNXQCG-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCO2)nc1 ZINC000336690259 386372533 /nfs/dbraw/zinc/37/25/33/386372533.db2.gz APKMLTQDLNXQCG-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cn2nc(NCCn3cc[nH+]c3)sc2n1 ZINC000298696385 386374621 /nfs/dbraw/zinc/37/46/21/386374621.db2.gz CMPHFRPZFQRLJF-UHFFFAOYSA-N 1 2 248.315 1.408 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)nn1C ZINC000336696958 386377582 /nfs/dbraw/zinc/37/75/82/386377582.db2.gz JZDRDQVUPRXVSW-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)nn1C ZINC000336696958 386377588 /nfs/dbraw/zinc/37/75/88/386377588.db2.gz JZDRDQVUPRXVSW-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000336698438 386380461 /nfs/dbraw/zinc/38/04/61/386380461.db2.gz IXHMCEMXTVNULG-SNVBAGLBSA-N 1 2 221.304 1.253 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000336698438 386380466 /nfs/dbraw/zinc/38/04/66/386380466.db2.gz IXHMCEMXTVNULG-SNVBAGLBSA-N 1 2 221.304 1.253 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000276841830 386380710 /nfs/dbraw/zinc/38/07/10/386380710.db2.gz QTXAUJJWDFUGMQ-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1ccncc1C[N@H+]1CCn2cnnc2[C@H]1C ZINC000276841830 386380714 /nfs/dbraw/zinc/38/07/14/386380714.db2.gz QTXAUJJWDFUGMQ-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000265870577 386381887 /nfs/dbraw/zinc/38/18/87/386381887.db2.gz YRQZFSXGGZCKPU-CHWSQXEVSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1noc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000276864520 386384543 /nfs/dbraw/zinc/38/45/43/386384543.db2.gz BSJDDSQBJXZRJL-UHFFFAOYSA-N 1 2 246.270 1.037 20 0 BDADLO Cc1noc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)n1 ZINC000276864520 386384551 /nfs/dbraw/zinc/38/45/51/386384551.db2.gz BSJDDSQBJXZRJL-UHFFFAOYSA-N 1 2 246.270 1.037 20 0 BDADLO CCCCNC(=O)COc1cc[nH+]cc1 ZINC000276479301 386330647 /nfs/dbraw/zinc/33/06/47/386330647.db2.gz RHZDSZFTNCIHMO-UHFFFAOYSA-N 1 2 208.261 1.377 20 0 BDADLO COCC[N@H+](Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000347396662 386385903 /nfs/dbraw/zinc/38/59/03/386385903.db2.gz WEAXLBGXJQQCAS-UHFFFAOYSA-N 1 2 236.319 1.293 20 0 BDADLO COCC[N@@H+](Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000347396662 386385907 /nfs/dbraw/zinc/38/59/07/386385907.db2.gz WEAXLBGXJQQCAS-UHFFFAOYSA-N 1 2 236.319 1.293 20 0 BDADLO CS[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276494547 386333257 /nfs/dbraw/zinc/33/32/57/386333257.db2.gz BDXKVZLDPXJCNU-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CS[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276494547 386333262 /nfs/dbraw/zinc/33/32/62/386333262.db2.gz BDXKVZLDPXJCNU-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000347333183 386333601 /nfs/dbraw/zinc/33/36/01/386333601.db2.gz JMOMFVBZVFCTNT-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000347333183 386333607 /nfs/dbraw/zinc/33/36/07/386333607.db2.gz JMOMFVBZVFCTNT-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000289642114 386338077 /nfs/dbraw/zinc/33/80/77/386338077.db2.gz HCGKINLTWHQJKX-JTQLQIEISA-N 1 2 247.298 1.387 20 0 BDADLO Cc1ccc(CC[NH2+][C@]2(C)CCOC2=O)cc1 ZINC000289645018 386338800 /nfs/dbraw/zinc/33/88/00/386338800.db2.gz SRMBZAOUQCESEK-CQSZACIVSA-N 1 2 233.311 1.833 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CC1(F)F ZINC000452158600 386440245 /nfs/dbraw/zinc/44/02/45/386440245.db2.gz IAEIPBGEHWZEMQ-QMMMGPOBSA-N 1 2 242.225 1.362 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cn(C)nn2)ccn1 ZINC000347541813 386443970 /nfs/dbraw/zinc/44/39/70/386443970.db2.gz OMHGHTSALFBQGU-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COC(=O)[C@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000519425002 386444182 /nfs/dbraw/zinc/44/41/82/386444182.db2.gz FLFCSOHYVJBPBL-NSHDSACASA-N 1 2 249.314 1.483 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCS1 ZINC000266512350 386447517 /nfs/dbraw/zinc/44/75/17/386447517.db2.gz HMIZVBWYQHPRRM-VIFPVBQESA-N 1 2 239.344 1.274 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000347542947 386447479 /nfs/dbraw/zinc/44/74/79/386447479.db2.gz XDJWTZRCNXIQSY-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000347542947 386447487 /nfs/dbraw/zinc/44/74/87/386447487.db2.gz XDJWTZRCNXIQSY-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1CCCc2c[nH]nc21 ZINC000276882326 386387852 /nfs/dbraw/zinc/38/78/52/386387852.db2.gz RRVNIEKRCBGCDE-NSHDSACASA-N 1 2 232.287 1.737 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000336704098 386393070 /nfs/dbraw/zinc/39/30/70/386393070.db2.gz PEDQCPPDEAXUCU-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000336704098 386393073 /nfs/dbraw/zinc/39/30/73/386393073.db2.gz PEDQCPPDEAXUCU-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1(CCF)CC1 ZINC000290110714 386395615 /nfs/dbraw/zinc/39/56/15/386395615.db2.gz JPMHJUIBMOJTQO-UHFFFAOYSA-N 1 2 239.294 1.518 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nnc(C)o2)C1 ZINC000347441521 386404341 /nfs/dbraw/zinc/40/43/41/386404341.db2.gz DCELHHKACTWGPI-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nnc(C)o2)C1 ZINC000347441521 386404346 /nfs/dbraw/zinc/40/43/46/386404346.db2.gz DCELHHKACTWGPI-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1CCCOC1 ZINC000336707221 386410300 /nfs/dbraw/zinc/41/03/00/386410300.db2.gz OLYOZWBVGYYNOG-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1CCCOC1 ZINC000336707221 386410306 /nfs/dbraw/zinc/41/03/06/386410306.db2.gz OLYOZWBVGYYNOG-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000237789741 386411754 /nfs/dbraw/zinc/41/17/54/386411754.db2.gz IVDBAWVXCWXZMO-CQSZACIVSA-N 1 2 245.326 1.850 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nc(C)no2)C1 ZINC000347461685 386417053 /nfs/dbraw/zinc/41/70/53/386417053.db2.gz YMAGKVNUOBYEOY-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nc(C)no2)C1 ZINC000347461685 386417061 /nfs/dbraw/zinc/41/70/61/386417061.db2.gz YMAGKVNUOBYEOY-UHFFFAOYSA-N 1 2 225.292 1.377 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@](C)(O)C2)cs1 ZINC000336708617 386418152 /nfs/dbraw/zinc/41/81/52/386418152.db2.gz VSJOTJJSPLSMFC-LLVKDONJSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@](C)(O)C2)cs1 ZINC000336708617 386418155 /nfs/dbraw/zinc/41/81/55/386418155.db2.gz VSJOTJJSPLSMFC-LLVKDONJSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@](C)(O)C2)cs1 ZINC000336708618 386418695 /nfs/dbraw/zinc/41/86/95/386418695.db2.gz VSJOTJJSPLSMFC-NSHDSACASA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@](C)(O)C2)cs1 ZINC000336708618 386418703 /nfs/dbraw/zinc/41/87/03/386418703.db2.gz VSJOTJJSPLSMFC-NSHDSACASA-N 1 2 242.344 1.246 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(CCF)CC1 ZINC000290312070 386419178 /nfs/dbraw/zinc/41/91/78/386419178.db2.gz JVWKCXKDWJZLEW-UHFFFAOYSA-N 1 2 225.267 1.474 20 0 BDADLO Cc1cnn(Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000336709631 386423418 /nfs/dbraw/zinc/42/34/18/386423418.db2.gz KFPBDPIOFAHUEH-UHFFFAOYSA-N 1 2 244.220 1.999 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000290392982 386428036 /nfs/dbraw/zinc/42/80/36/386428036.db2.gz JQAFLFAITGHNQN-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000290392982 386428042 /nfs/dbraw/zinc/42/80/42/386428042.db2.gz JQAFLFAITGHNQN-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000290392982 386428047 /nfs/dbraw/zinc/42/80/47/386428047.db2.gz JQAFLFAITGHNQN-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000290392982 386428051 /nfs/dbraw/zinc/42/80/51/386428051.db2.gz JQAFLFAITGHNQN-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2[nH]cc[nH+]2)s1 ZINC000347506855 386428485 /nfs/dbraw/zinc/42/84/85/386428485.db2.gz XQGDUOYNUUVESW-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO CS[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000277405410 386432522 /nfs/dbraw/zinc/43/25/22/386432522.db2.gz HIMZKSIHRVGTBK-BDAKNGLRSA-N 1 2 241.360 1.975 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000336715107 386432577 /nfs/dbraw/zinc/43/25/77/386432577.db2.gz TWHOSSMVMPRUNY-SECBINFHSA-N 1 2 238.335 1.159 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000336715107 386432580 /nfs/dbraw/zinc/43/25/80/386432580.db2.gz TWHOSSMVMPRUNY-SECBINFHSA-N 1 2 238.335 1.159 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000277412468 386433697 /nfs/dbraw/zinc/43/36/97/386433697.db2.gz JRXIGMIKDFHTRR-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000277412468 386433703 /nfs/dbraw/zinc/43/37/03/386433703.db2.gz JRXIGMIKDFHTRR-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000290428555 386433897 /nfs/dbraw/zinc/43/38/97/386433897.db2.gz MYBFKKKMVIDKRP-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000290428555 386433901 /nfs/dbraw/zinc/43/39/01/386433901.db2.gz MYBFKKKMVIDKRP-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000290428555 386433906 /nfs/dbraw/zinc/43/39/06/386433906.db2.gz MYBFKKKMVIDKRP-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000290428555 386433911 /nfs/dbraw/zinc/43/39/11/386433911.db2.gz MYBFKKKMVIDKRP-JTQLQIEISA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nc(CN(C)Cc2[nH+]ccn2C)oc1C ZINC000336712339 386435566 /nfs/dbraw/zinc/43/55/66/386435566.db2.gz RVBYIRCMAGNCDL-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)CC[C@@H](C)O)nn1 ZINC000347859137 386466023 /nfs/dbraw/zinc/46/60/23/386466023.db2.gz FOIIAOXOFWRUII-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+](C)CC[C@@H](C)O)nn1 ZINC000347859137 386466027 /nfs/dbraw/zinc/46/60/27/386466027.db2.gz FOIIAOXOFWRUII-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1cccnc1 ZINC000299560473 386467652 /nfs/dbraw/zinc/46/76/52/386467652.db2.gz GALIVPCWEGNHHV-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO Cc1cc(NCC2(C(F)(F)F)CC2)nc[nH+]1 ZINC000336730641 386467648 /nfs/dbraw/zinc/46/76/48/386467648.db2.gz ILLLBWMUUUOGCX-UHFFFAOYSA-N 1 2 231.221 1.961 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(CC(C)C)no2)C1 ZINC000417273343 386468881 /nfs/dbraw/zinc/46/88/81/386468881.db2.gz WZRNKYQIIPOWJN-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(CC(C)C)no2)C1 ZINC000417273343 386468884 /nfs/dbraw/zinc/46/88/84/386468884.db2.gz WZRNKYQIIPOWJN-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339574722 386472670 /nfs/dbraw/zinc/47/26/70/386472670.db2.gz BWRRJFBNKYONKD-ZJUUUORDSA-N 1 2 222.336 1.837 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339574722 386472674 /nfs/dbraw/zinc/47/26/74/386472674.db2.gz BWRRJFBNKYONKD-ZJUUUORDSA-N 1 2 222.336 1.837 20 0 BDADLO COCCc1noc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339574747 386473598 /nfs/dbraw/zinc/47/35/98/386473598.db2.gz RRQZFYRSCRGBOT-DTWKUNHWSA-N 1 2 225.292 1.099 20 0 BDADLO COCCc1noc(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339574747 386473606 /nfs/dbraw/zinc/47/36/06/386473606.db2.gz RRQZFYRSCRGBOT-DTWKUNHWSA-N 1 2 225.292 1.099 20 0 BDADLO Cc1nc(N2C[C@@H](O)CC[C@H]2C)cc[nH+]1 ZINC000399274851 386476004 /nfs/dbraw/zinc/47/60/04/386476004.db2.gz VNTXEUGOCLVTBO-SCZZXKLOSA-N 1 2 207.277 1.135 20 0 BDADLO C[C@@H](CF)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290843041 386481082 /nfs/dbraw/zinc/48/10/82/386481082.db2.gz YRYJKEFAJORPQI-QMMMGPOBSA-N 1 2 236.250 1.814 20 0 BDADLO O=C(c1ccco1)N1CCn2c[nH+]cc2C1 ZINC000290881363 386483736 /nfs/dbraw/zinc/48/37/36/386483736.db2.gz DUQDKCSPKINZMR-UHFFFAOYSA-N 1 2 217.228 1.132 20 0 BDADLO Cc1cnccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000291276787 386529096 /nfs/dbraw/zinc/52/90/96/386529096.db2.gz ZTJHFCTYFGDIJD-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO CCCCN(CC(N)=O)c1cccc[nH+]1 ZINC000290922821 386488624 /nfs/dbraw/zinc/48/86/24/386488624.db2.gz IOTYXYSHZQSOBD-UHFFFAOYSA-N 1 2 207.277 1.173 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290931864 386489839 /nfs/dbraw/zinc/48/98/39/386489839.db2.gz MQUMOIASUZVDMH-LLVKDONJSA-N 1 2 235.331 1.908 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)n[nH]1 ZINC000335434136 386492190 /nfs/dbraw/zinc/49/21/90/386492190.db2.gz MFTQLMGRAIAAPP-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CCC2)n[nH]1 ZINC000335434136 386492194 /nfs/dbraw/zinc/49/21/94/386492194.db2.gz MFTQLMGRAIAAPP-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO CCC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000267226769 386515315 /nfs/dbraw/zinc/51/53/15/386515315.db2.gz XWHDGVBOEXMDDQ-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CO[C@H](C)C1 ZINC000335448106 386516254 /nfs/dbraw/zinc/51/62/54/386516254.db2.gz STONSIMCOWJJOP-MWLCHTKSSA-N 1 2 249.314 1.997 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000335448105 386517335 /nfs/dbraw/zinc/51/73/35/386517335.db2.gz STONSIMCOWJJOP-KOLCDFICSA-N 1 2 249.314 1.997 20 0 BDADLO c1nnc2n1CC[N@@H+]([C@H]1C[C@H]1c1ccccc1)C2 ZINC000291232067 386525839 /nfs/dbraw/zinc/52/58/39/386525839.db2.gz UFGKJXPDLWQRHY-STQMWFEESA-N 1 2 240.310 1.650 20 0 BDADLO c1nnc2n1CC[N@H+]([C@H]1C[C@H]1c1ccccc1)C2 ZINC000291232067 386525846 /nfs/dbraw/zinc/52/58/46/386525846.db2.gz UFGKJXPDLWQRHY-STQMWFEESA-N 1 2 240.310 1.650 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)NCc1[nH+]ccn1C ZINC000277659305 386456771 /nfs/dbraw/zinc/45/67/71/386456771.db2.gz GCZWXRSONGGLTP-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO c1cn(CCc2nc(CC3CC3)no2)c[nH+]1 ZINC000266646941 386458256 /nfs/dbraw/zinc/45/82/56/386458256.db2.gz XOBRIOJONIMZCN-UHFFFAOYSA-N 1 2 218.260 1.461 20 0 BDADLO C[N@H+](CCO[C@@H]1CCCCO1)Cc1ccon1 ZINC000277685084 386459028 /nfs/dbraw/zinc/45/90/28/386459028.db2.gz KTKBAKXYMQLSGE-GFCCVEGCSA-N 1 2 240.303 1.650 20 0 BDADLO C[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccon1 ZINC000277685084 386459034 /nfs/dbraw/zinc/45/90/34/386459034.db2.gz KTKBAKXYMQLSGE-GFCCVEGCSA-N 1 2 240.303 1.650 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277685025 386459062 /nfs/dbraw/zinc/45/90/62/386459062.db2.gz QMLHRRNDAPQBNE-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277685025 386459067 /nfs/dbraw/zinc/45/90/67/386459067.db2.gz QMLHRRNDAPQBNE-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299506717 386459682 /nfs/dbraw/zinc/45/96/82/386459682.db2.gz IUPGTMOOBKPBOB-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299506717 386459688 /nfs/dbraw/zinc/45/96/88/386459688.db2.gz IUPGTMOOBKPBOB-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO CCCCOC(=O)CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366405643 386464180 /nfs/dbraw/zinc/46/41/80/386464180.db2.gz OZDBDDQHAVMDCI-MNOVXSKESA-N 1 2 227.304 1.193 20 0 BDADLO CCCCOC(=O)CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366405643 386464185 /nfs/dbraw/zinc/46/41/85/386464185.db2.gz OZDBDDQHAVMDCI-MNOVXSKESA-N 1 2 227.304 1.193 20 0 BDADLO CC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000278729466 386575052 /nfs/dbraw/zinc/57/50/52/386575052.db2.gz UHJGYVADQCLLSQ-UHFFFAOYSA-N 1 2 218.260 1.587 20 0 BDADLO O=C(C(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278825636 386591228 /nfs/dbraw/zinc/59/12/28/386591228.db2.gz YKQAAYDPZFTDEP-ZETCQYMHSA-N 1 2 229.230 1.381 20 0 BDADLO O=C1CC[N@H+](Cc2cccnc2Cl)CCN1 ZINC000061803649 386536037 /nfs/dbraw/zinc/53/60/37/386536037.db2.gz IDJZASFPYVVQBN-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2cccnc2Cl)CCN1 ZINC000061803649 386536041 /nfs/dbraw/zinc/53/60/41/386536041.db2.gz IDJZASFPYVVQBN-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cn(C)cn1)c1[nH]cc[nH+]1 ZINC000278556230 386546373 /nfs/dbraw/zinc/54/63/73/386546373.db2.gz HATVDQSUWVHWLW-SNVBAGLBSA-N 1 2 247.302 1.270 20 0 BDADLO CCc1ccc(C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000291464439 386549592 /nfs/dbraw/zinc/54/95/92/386549592.db2.gz OBULGHYAZZAQES-UHFFFAOYSA-N 1 2 232.327 1.569 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C1CC1 ZINC000278565532 386549918 /nfs/dbraw/zinc/54/99/18/386549918.db2.gz IHHFJOTXYKNRGY-ZETCQYMHSA-N 1 2 207.277 1.175 20 0 BDADLO COc1ncncc1C[NH+]1CC(CC(F)F)C1 ZINC000648045189 386552707 /nfs/dbraw/zinc/55/27/07/386552707.db2.gz BUUNIPASYDKBLB-UHFFFAOYSA-N 1 2 243.257 1.572 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](F)C1 ZINC000335402283 386556048 /nfs/dbraw/zinc/55/60/48/386556048.db2.gz YFNMIMZEZVFQTH-SECBINFHSA-N 1 2 212.272 1.150 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@@H](F)C1 ZINC000335402283 386556051 /nfs/dbraw/zinc/55/60/51/386556051.db2.gz YFNMIMZEZVFQTH-SECBINFHSA-N 1 2 212.272 1.150 20 0 BDADLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000519799456 386560110 /nfs/dbraw/zinc/56/01/10/386560110.db2.gz UMMAGWKMJMQLLZ-ZETCQYMHSA-N 1 2 235.209 1.198 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000278668849 386562807 /nfs/dbraw/zinc/56/28/07/386562807.db2.gz PRRWUGAPGUXVBC-GXSJLCMTSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000278668849 386562813 /nfs/dbraw/zinc/56/28/13/386562813.db2.gz PRRWUGAPGUXVBC-GXSJLCMTSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000278668866 386564786 /nfs/dbraw/zinc/56/47/86/386564786.db2.gz PRRWUGAPGUXVBC-MWLCHTKSSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000278668866 386564788 /nfs/dbraw/zinc/56/47/88/386564788.db2.gz PRRWUGAPGUXVBC-MWLCHTKSSA-N 1 2 235.331 1.956 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000245559669 386597841 /nfs/dbraw/zinc/59/78/41/386597841.db2.gz LXNZLBMXGSJSNE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H](C)O1 ZINC000245559669 386597848 /nfs/dbraw/zinc/59/78/48/386597848.db2.gz LXNZLBMXGSJSNE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO Cc1csc([S@@](=O)Cc2c[nH+]cn2C)n1 ZINC000268134786 386622232 /nfs/dbraw/zinc/62/22/32/386622232.db2.gz BDZWIAKELXLVDP-HNNXBMFYSA-N 1 2 241.341 1.493 20 0 BDADLO CC[N@H+](CC(F)F)C[C@H](OC)C1CC1 ZINC000644929476 386627088 /nfs/dbraw/zinc/62/70/88/386627088.db2.gz VNNKYLSKFANYEK-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO Cc1nnc(C[N@@H+]2CCn3cccc3[C@H]2C)[nH]1 ZINC000292165622 386627272 /nfs/dbraw/zinc/62/72/72/386627272.db2.gz LERCUHZGCLPNBP-SECBINFHSA-N 1 2 231.303 1.491 20 0 BDADLO Cc1nnc(C[N@H+]2CCn3cccc3[C@H]2C)[nH]1 ZINC000292165622 386627280 /nfs/dbraw/zinc/62/72/80/386627280.db2.gz LERCUHZGCLPNBP-SECBINFHSA-N 1 2 231.303 1.491 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@H](OC)C1CC1 ZINC000644929476 386627091 /nfs/dbraw/zinc/62/70/91/386627091.db2.gz VNNKYLSKFANYEK-VIFPVBQESA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)CCS(=O)(=O)Cc1c[nH+]cn1C ZINC000268188696 386627800 /nfs/dbraw/zinc/62/78/00/386627800.db2.gz MHBRMZZFVCJKBR-UHFFFAOYSA-N 1 2 230.333 1.381 20 0 BDADLO CO[C@@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000644930933 386629361 /nfs/dbraw/zinc/62/93/61/386629361.db2.gz ATNUWXUJSHMEQK-ZJUUUORDSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)C1CC1 ZINC000644930933 386629364 /nfs/dbraw/zinc/62/93/64/386629364.db2.gz ATNUWXUJSHMEQK-ZJUUUORDSA-N 1 2 235.274 1.113 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CCc1ccccc1 ZINC000268192737 386629999 /nfs/dbraw/zinc/62/99/99/386629999.db2.gz WVYWGRHPGUFTGQ-QGZVFWFLSA-N 1 2 248.351 1.912 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000414469336 386640328 /nfs/dbraw/zinc/64/03/28/386640328.db2.gz IWFZBZIWDXXYTF-SECBINFHSA-N 1 2 245.319 1.927 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@H](CF)C1 ZINC000414469336 386640336 /nfs/dbraw/zinc/64/03/36/386640336.db2.gz IWFZBZIWDXXYTF-SECBINFHSA-N 1 2 245.319 1.927 20 0 BDADLO O=C(Nc1cc(F)ccc1O)[C@H]1CSC[NH2+]1 ZINC000335513142 386648991 /nfs/dbraw/zinc/64/89/91/386648991.db2.gz WAMZGCPLKNFCMG-MRVPVSSYSA-N 1 2 242.275 1.132 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1cn(CC2CC2)nn1 ZINC000520338912 386652949 /nfs/dbraw/zinc/65/29/49/386652949.db2.gz CIMOWXBENGVJFT-UWVGGRQHSA-N 1 2 220.320 1.671 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000645355583 386653399 /nfs/dbraw/zinc/65/33/99/386653399.db2.gz MSJUZSKQMCVIIW-KOLCDFICSA-N 1 2 223.320 1.994 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](C2CCCC2)C1 ZINC000643359477 386599861 /nfs/dbraw/zinc/59/98/61/386599861.db2.gz AHAKVUNZSJNAME-ZDUSSCGKSA-N 1 2 247.342 1.922 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339772088 386610730 /nfs/dbraw/zinc/61/07/30/386610730.db2.gz MPRJESANTVBPJU-CQSZACIVSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339772088 386610736 /nfs/dbraw/zinc/61/07/36/386610736.db2.gz MPRJESANTVBPJU-CQSZACIVSA-N 1 2 249.358 1.811 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335493037 386612315 /nfs/dbraw/zinc/61/23/15/386612315.db2.gz CIKDNFIZMKMBQD-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335493037 386612321 /nfs/dbraw/zinc/61/23/21/386612321.db2.gz CIKDNFIZMKMBQD-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO CCN(CCO)c1cc(C)[nH+]c(C(C)C)n1 ZINC000040417983 386659798 /nfs/dbraw/zinc/65/97/98/386659798.db2.gz JHZOGXMDXRVASU-UHFFFAOYSA-N 1 2 223.320 1.727 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000414474553 386661715 /nfs/dbraw/zinc/66/17/15/386661715.db2.gz SLLVQABOWGTGPF-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cn1 ZINC000414474553 386661722 /nfs/dbraw/zinc/66/17/22/386661722.db2.gz SLLVQABOWGTGPF-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000414474551 386662289 /nfs/dbraw/zinc/66/22/89/386662289.db2.gz SLLVQABOWGTGPF-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000414474551 386662298 /nfs/dbraw/zinc/66/22/98/386662298.db2.gz SLLVQABOWGTGPF-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccn(C)c1 ZINC000268580506 386665339 /nfs/dbraw/zinc/66/53/39/386665339.db2.gz DWRWUJCGFYHJTM-UHFFFAOYSA-N 1 2 232.287 1.031 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000337210361 386670199 /nfs/dbraw/zinc/67/01/99/386670199.db2.gz CKYVUBLZCZFLJT-MKBNYLNASA-N 1 2 247.404 1.500 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000337210361 386670206 /nfs/dbraw/zinc/67/02/06/386670206.db2.gz CKYVUBLZCZFLJT-MKBNYLNASA-N 1 2 247.404 1.500 20 0 BDADLO Cc1cnn(CC(=O)Nc2c(C)cc[nH+]c2C)c1 ZINC000335528199 386672573 /nfs/dbraw/zinc/67/25/73/386672573.db2.gz CKZRJASYFJAJCT-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO CC[C@@H](C)C[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000645356943 386674278 /nfs/dbraw/zinc/67/42/78/386674278.db2.gz PVWZUTNBTKFGJE-MWLCHTKSSA-N 1 2 223.320 1.994 20 0 BDADLO CC1(CC(F)F)C[NH+](Cc2cc[nH]n2)C1 ZINC000648058380 386678972 /nfs/dbraw/zinc/67/89/72/386678972.db2.gz HFSFGJNLRQLMCD-UHFFFAOYSA-N 1 2 215.247 1.887 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1cncn1C ZINC000335531645 386679881 /nfs/dbraw/zinc/67/98/81/386679881.db2.gz ZVMHAILULTXFCP-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCSCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000336648293 386682718 /nfs/dbraw/zinc/68/27/18/386682718.db2.gz FYQXYNSDUXJHNX-RNCFNFMXSA-N 1 2 221.391 1.192 20 0 BDADLO CCSCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000336648293 386682728 /nfs/dbraw/zinc/68/27/28/386682728.db2.gz FYQXYNSDUXJHNX-RNCFNFMXSA-N 1 2 221.391 1.192 20 0 BDADLO C[C@@H](CO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301899850 386680591 /nfs/dbraw/zinc/68/05/91/386680591.db2.gz YMXKBOQXYQKXOZ-MRVPVSSYSA-N 1 2 232.287 1.252 20 0 BDADLO CC(C)CN1CCN(c2cccc[nH+]2)[C@@H](C)C1=O ZINC000335530824 386681724 /nfs/dbraw/zinc/68/17/24/386681724.db2.gz YSDHDXRGIDONOO-LBPRGKRZSA-N 1 2 247.342 1.775 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CO1 ZINC000335481993 386710138 /nfs/dbraw/zinc/71/01/38/386710138.db2.gz UDCOPIABQBPMKF-GXSJLCMTSA-N 1 2 245.282 1.242 20 0 BDADLO CCC[C@H]1CN(Cc2c[nH+]cn2CC)CCO1 ZINC000417779617 386711640 /nfs/dbraw/zinc/71/16/40/386711640.db2.gz UUSFIGVTWAGLDO-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(C)no1 ZINC000292524224 386686814 /nfs/dbraw/zinc/68/68/14/386686814.db2.gz WMQBVPZXOVZWAX-ZJUUUORDSA-N 1 2 237.303 1.794 20 0 BDADLO c1cn(-c2ncnc3c2ncn3C2CC2)c[nH+]1 ZINC000292550237 386687467 /nfs/dbraw/zinc/68/74/67/386687467.db2.gz XEFYGTONEKSETB-UHFFFAOYSA-N 1 2 226.243 1.347 20 0 BDADLO Cc1ccc(CSc2nnc(N)n2C)c(C)[nH+]1 ZINC000185323749 386689177 /nfs/dbraw/zinc/68/91/77/386689177.db2.gz CCADKXQKLNUOLN-UHFFFAOYSA-N 1 2 249.343 1.701 20 0 BDADLO Cc1c(C[NH2+][C@H](C)c2ncc[nH]2)cnn1C ZINC000124772698 386690532 /nfs/dbraw/zinc/69/05/32/386690532.db2.gz GBYMHUWUFFDAPN-MRVPVSSYSA-N 1 2 219.292 1.302 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CSC1(C)C)C(=O)OC ZINC000336648395 386695442 /nfs/dbraw/zinc/69/54/42/386695442.db2.gz GIOMTIFCMRWFRL-JGVFFNPUSA-N 1 2 217.334 1.422 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H](C)c2nnc(C)s2)cn1 ZINC000391934888 386696685 /nfs/dbraw/zinc/69/66/85/386696685.db2.gz OMUMMWAJXUYMIM-QMMMGPOBSA-N 1 2 249.343 1.994 20 0 BDADLO CSCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000520590349 386697978 /nfs/dbraw/zinc/69/79/78/386697978.db2.gz ZPHRJCDYYMSLIQ-JTQLQIEISA-N 1 2 241.360 1.656 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)CCn1cc[nH+]c1 ZINC000335475716 386699659 /nfs/dbraw/zinc/69/96/59/386699659.db2.gz UPGVWBZVYSQDSS-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)ncn1 ZINC000292698019 386712152 /nfs/dbraw/zinc/71/21/52/386712152.db2.gz DPMHJNBXDXWVRD-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]23CCOC3=O)ncn1 ZINC000292698019 386712156 /nfs/dbraw/zinc/71/21/56/386712156.db2.gz DPMHJNBXDXWVRD-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO CCCC(CCC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000191963387 386730778 /nfs/dbraw/zinc/73/07/78/386730778.db2.gz PNUVIPCMPSWADB-ONGXEEELSA-N 1 2 231.336 1.467 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000121991960 386733096 /nfs/dbraw/zinc/73/30/96/386733096.db2.gz BPJPXHAECPOOSI-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000121991960 386733098 /nfs/dbraw/zinc/73/30/98/386733098.db2.gz BPJPXHAECPOOSI-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000417794228 386736890 /nfs/dbraw/zinc/73/68/90/386736890.db2.gz OVUWDMITEALBAK-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000417794228 386736896 /nfs/dbraw/zinc/73/68/96/386736896.db2.gz OVUWDMITEALBAK-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO COc1cccc2c(N3CC(CO)C3)cc[nH+]c12 ZINC000192179814 386738080 /nfs/dbraw/zinc/73/80/80/386738080.db2.gz XFDMLBAHQGQVJU-UHFFFAOYSA-N 1 2 244.294 1.672 20 0 BDADLO CC[C@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000296321104 386712559 /nfs/dbraw/zinc/71/25/59/386712559.db2.gz OIIDGICNKHETTG-IONNQARKSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1O ZINC000296321104 386712566 /nfs/dbraw/zinc/71/25/66/386712566.db2.gz OIIDGICNKHETTG-IONNQARKSA-N 1 2 246.763 1.999 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CC1(F)CC1 ZINC000526971038 386713283 /nfs/dbraw/zinc/71/32/83/386713283.db2.gz OHNQMJWAOSTSCC-VIFPVBQESA-N 1 2 217.284 1.760 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CC1(F)CC1 ZINC000526971038 386713290 /nfs/dbraw/zinc/71/32/90/386713290.db2.gz OHNQMJWAOSTSCC-VIFPVBQESA-N 1 2 217.284 1.760 20 0 BDADLO CCn1cncc1C[N@H+](C)Cc1cccn1C ZINC000417788664 386722288 /nfs/dbraw/zinc/72/22/88/386722288.db2.gz INAMRWRZFJXQOC-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1cncc1C[N@@H+](C)Cc1cccn1C ZINC000417788664 386722296 /nfs/dbraw/zinc/72/22/96/386722296.db2.gz INAMRWRZFJXQOC-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cccn1C ZINC000417788664 386722299 /nfs/dbraw/zinc/72/22/99/386722299.db2.gz INAMRWRZFJXQOC-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO Cc1cn[nH]c1CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352848542 386724824 /nfs/dbraw/zinc/72/48/24/386724824.db2.gz WHUJENHLFGXQDH-GWCFXTLKSA-N 1 2 234.347 1.290 20 0 BDADLO Cc1cn[nH]c1CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352848542 386724830 /nfs/dbraw/zinc/72/48/30/386724830.db2.gz WHUJENHLFGXQDH-GWCFXTLKSA-N 1 2 234.347 1.290 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000334150017 386749707 /nfs/dbraw/zinc/74/97/07/386749707.db2.gz IKTWNWXTDCAUAF-LLVKDONJSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)cn1 ZINC000334150017 386749711 /nfs/dbraw/zinc/74/97/11/386749711.db2.gz IKTWNWXTDCAUAF-LLVKDONJSA-N 1 2 247.342 1.354 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC2(CCC2)C1 ZINC000279870398 386749748 /nfs/dbraw/zinc/74/97/48/386749748.db2.gz LBBILBJBRQYEGZ-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357300018 386753775 /nfs/dbraw/zinc/75/37/75/386753775.db2.gz DKGKLQNHUAIZMJ-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357300018 386753781 /nfs/dbraw/zinc/75/37/81/386753781.db2.gz DKGKLQNHUAIZMJ-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO Cc1cc(NC(=O)NC[C@@]2(C)CCOC2)cc[nH+]1 ZINC000334155315 386755708 /nfs/dbraw/zinc/75/57/08/386755708.db2.gz UZDABVQGYZFMQJ-CYBMUJFWSA-N 1 2 249.314 1.360 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@]12CCOC2 ZINC000357323556 386758453 /nfs/dbraw/zinc/75/84/53/386758453.db2.gz YOICBKORDQVMFU-ZDUSSCGKSA-N 1 2 249.314 1.055 20 0 BDADLO C[C@H]1CSCCN1c1nc[nH+]c(N)c1Cl ZINC000192316960 386761173 /nfs/dbraw/zinc/76/11/73/386761173.db2.gz JYPYUJDFOUMWGJ-LURJTMIESA-N 1 2 244.751 1.654 20 0 BDADLO C[C@H]1CSCCN1c1[nH+]cnc(N)c1Cl ZINC000192316960 386761176 /nfs/dbraw/zinc/76/11/76/386761176.db2.gz JYPYUJDFOUMWGJ-LURJTMIESA-N 1 2 244.751 1.654 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1cncs1 ZINC000334634628 386766406 /nfs/dbraw/zinc/76/64/06/386766406.db2.gz VLVNDBSFMWJHOE-UHFFFAOYSA-N 1 2 248.311 1.928 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCc1nccnc1C ZINC000293040373 386766647 /nfs/dbraw/zinc/76/66/47/386766647.db2.gz QQKZQPSPVZIUSH-UHFFFAOYSA-N 1 2 231.303 1.149 20 0 BDADLO COC[C@@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000293035964 386767951 /nfs/dbraw/zinc/76/79/51/386767951.db2.gz LKDHOVSFRFLRGZ-JTQLQIEISA-N 1 2 219.288 1.579 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCCc2ccccc2CC1 ZINC000334634705 386767978 /nfs/dbraw/zinc/76/79/78/386767978.db2.gz JHVNQKIHLNCLMU-UHFFFAOYSA-N 1 2 242.326 1.796 20 0 BDADLO COC(=O)c1cccc(C[NH2+]Cc2cocn2)c1 ZINC000348925703 386769141 /nfs/dbraw/zinc/76/91/41/386769141.db2.gz XNROAIOPEXJGMD-UHFFFAOYSA-N 1 2 246.266 1.751 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000269048170 386742252 /nfs/dbraw/zinc/74/22/52/386742252.db2.gz MVADNLULKNOGCD-SNVBAGLBSA-N 1 2 249.314 1.550 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)no1 ZINC000330448657 386742837 /nfs/dbraw/zinc/74/28/37/386742837.db2.gz IRMAEZLLQNPIDX-SECBINFHSA-N 1 2 238.291 1.658 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2CC(N)=O)no1 ZINC000330448657 386742845 /nfs/dbraw/zinc/74/28/45/386742845.db2.gz IRMAEZLLQNPIDX-SECBINFHSA-N 1 2 238.291 1.658 20 0 BDADLO Cc1noc([C@H]([NH2+]CCF)C2CCOCC2)n1 ZINC000330578111 386796762 /nfs/dbraw/zinc/79/67/62/386796762.db2.gz PEJVTHRIYYEFAY-SNVBAGLBSA-N 1 2 243.282 1.405 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CCN1Cc1c[nH+]c[nH]1 ZINC000280220072 386792057 /nfs/dbraw/zinc/79/20/57/386792057.db2.gz LEJNPGLVQXJPTD-KOLCDFICSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1C[C@H](C)CCN1Cc1c[nH]c[nH+]1 ZINC000280220072 386792062 /nfs/dbraw/zinc/79/20/62/386792062.db2.gz LEJNPGLVQXJPTD-KOLCDFICSA-N 1 2 237.303 1.183 20 0 BDADLO C[C@@]1(C(N)=O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000280251924 386794186 /nfs/dbraw/zinc/79/41/86/386794186.db2.gz NGEITNXVWLORFZ-CYBMUJFWSA-N 1 2 244.298 1.265 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000248767161 386795410 /nfs/dbraw/zinc/79/54/10/386795410.db2.gz RYSWFSLQDOSUQZ-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000248767161 386795417 /nfs/dbraw/zinc/79/54/17/386795417.db2.gz RYSWFSLQDOSUQZ-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO COC[C@@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000280281827 386796294 /nfs/dbraw/zinc/79/62/94/386796294.db2.gz PUAHUBSJKYJEEW-SECBINFHSA-N 1 2 233.271 1.049 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000293060660 386772979 /nfs/dbraw/zinc/77/29/79/386772979.db2.gz SFCNPAMIHGYMGN-XVKPBYJWSA-N 1 2 236.319 1.305 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293060660 386772989 /nfs/dbraw/zinc/77/29/89/386772989.db2.gz SFCNPAMIHGYMGN-XVKPBYJWSA-N 1 2 236.319 1.305 20 0 BDADLO Cn1cc[nH+]c1Cn1nnc2ccccc21 ZINC000344815483 386775146 /nfs/dbraw/zinc/77/51/46/386775146.db2.gz BONARBOGCZTBSL-UHFFFAOYSA-N 1 2 213.244 1.213 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000330990238 386777888 /nfs/dbraw/zinc/77/78/88/386777888.db2.gz HBIBEDHHGZREIT-GWCFXTLKSA-N 1 2 243.347 1.469 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2cnn(C)n2)o1 ZINC000293113285 386778910 /nfs/dbraw/zinc/77/89/10/386778910.db2.gz YRHLJNADIQVXHR-UHFFFAOYSA-N 1 2 249.318 1.354 20 0 BDADLO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC(C)(C)C ZINC000396574731 386780729 /nfs/dbraw/zinc/78/07/29/386780729.db2.gz GZLRNCCGSUNTHK-ZJUUUORDSA-N 1 2 243.347 1.874 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn2cccc(C)c2n1 ZINC000645157333 386796626 /nfs/dbraw/zinc/79/66/26/386796626.db2.gz KQKATMBXPYDYBC-CYBMUJFWSA-N 1 2 245.326 1.863 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn2cccc(C)c2n1 ZINC000645157333 386796634 /nfs/dbraw/zinc/79/66/34/386796634.db2.gz KQKATMBXPYDYBC-CYBMUJFWSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)n1C ZINC000340850782 386788690 /nfs/dbraw/zinc/78/86/90/386788690.db2.gz QFXGUPNPNIDPHN-UHFFFAOYSA-N 1 2 246.314 1.268 20 0 BDADLO Fc1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000408447072 386816702 /nfs/dbraw/zinc/81/67/02/386816702.db2.gz VADWKWRQXPBYCL-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO Fc1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000408447072 386816705 /nfs/dbraw/zinc/81/67/05/386816705.db2.gz VADWKWRQXPBYCL-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO COc1cc(Cl)ccc1C[N@H+](C)CC(N)=O ZINC000280477052 386817478 /nfs/dbraw/zinc/81/74/78/386817478.db2.gz NLLXYLALEAWUSR-UHFFFAOYSA-N 1 2 242.706 1.266 20 0 BDADLO COc1cc(Cl)ccc1C[N@@H+](C)CC(N)=O ZINC000280477052 386817482 /nfs/dbraw/zinc/81/74/82/386817482.db2.gz NLLXYLALEAWUSR-UHFFFAOYSA-N 1 2 242.706 1.266 20 0 BDADLO COc1cc(C)ccc1C[NH2+]Cc1cnn(C)n1 ZINC000293468074 386821317 /nfs/dbraw/zinc/82/13/17/386821317.db2.gz DRFXZVVZLJHMPL-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000334772621 386822508 /nfs/dbraw/zinc/82/25/08/386822508.db2.gz YWRKKDLWRQEUNF-ZJUUUORDSA-N 1 2 233.315 1.698 20 0 BDADLO Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)nc1 ZINC000330585680 386798736 /nfs/dbraw/zinc/79/87/36/386798736.db2.gz UVJTWRPUGLOGLJ-UHFFFAOYSA-N 1 2 248.330 1.043 20 0 BDADLO Cc1noc(C[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000329771452 386803091 /nfs/dbraw/zinc/80/30/91/386803091.db2.gz GURDTWMHZIVGAQ-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO Cc1noc(C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000329771452 386803095 /nfs/dbraw/zinc/80/30/95/386803095.db2.gz GURDTWMHZIVGAQ-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO CCOc1cncc(NCc2c[nH+]cn2C)n1 ZINC000357575763 386809212 /nfs/dbraw/zinc/80/92/12/386809212.db2.gz ADQJWQKUVJICAH-UHFFFAOYSA-N 1 2 233.275 1.221 20 0 BDADLO CCc1nocc1CNc1ccc(OC)c[nH+]1 ZINC000645166265 386827096 /nfs/dbraw/zinc/82/70/96/386827096.db2.gz JVZYUWGVAJEPHX-UHFFFAOYSA-N 1 2 233.271 1.675 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCCOC(F)F ZINC000357695104 386827528 /nfs/dbraw/zinc/82/75/28/386827528.db2.gz JBHRLPFUSVMUBP-UHFFFAOYSA-N 1 2 247.245 1.088 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H](C)CCCCO ZINC000398469557 386828961 /nfs/dbraw/zinc/82/89/61/386828961.db2.gz OQURTMBWAQFLHL-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H](C)CCCCO ZINC000398469557 386828967 /nfs/dbraw/zinc/82/89/67/386828967.db2.gz OQURTMBWAQFLHL-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC23CCCC3)[nH+]1 ZINC000330260835 386842567 /nfs/dbraw/zinc/84/25/67/386842567.db2.gz SYVOVXVHMBGLAD-SNVBAGLBSA-N 1 2 247.346 1.413 20 0 BDADLO Cc1nc(N[C@@H]2CC23CCCC3)nc(N(C)C)[nH+]1 ZINC000330260835 386842571 /nfs/dbraw/zinc/84/25/71/386842571.db2.gz SYVOVXVHMBGLAD-SNVBAGLBSA-N 1 2 247.346 1.413 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000357779403 386843272 /nfs/dbraw/zinc/84/32/72/386843272.db2.gz RFOFZFVOSRZZRF-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000341144226 386845519 /nfs/dbraw/zinc/84/55/19/386845519.db2.gz MRQPULIOFRZQRU-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000341144226 386845527 /nfs/dbraw/zinc/84/55/27/386845527.db2.gz MRQPULIOFRZQRU-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H]1SC ZINC000425333273 386847363 /nfs/dbraw/zinc/84/73/63/386847363.db2.gz DXZSGPLQTMIIPS-FXQIFTODSA-N 1 2 203.307 1.032 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000331421826 386851026 /nfs/dbraw/zinc/85/10/26/386851026.db2.gz RPKCIIRIJYXHKW-NSHDSACASA-N 1 2 246.318 1.184 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000331421826 386851030 /nfs/dbraw/zinc/85/10/30/386851030.db2.gz RPKCIIRIJYXHKW-NSHDSACASA-N 1 2 246.318 1.184 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000290154124 386851018 /nfs/dbraw/zinc/85/10/18/386851018.db2.gz PFYOQNUGWXAHSM-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO O=C1C[N@H+](CC2CCC(F)(F)CC2)CCN1 ZINC000334788756 386851750 /nfs/dbraw/zinc/85/17/50/386851750.db2.gz HVRUJUBLSPPSOD-UHFFFAOYSA-N 1 2 232.274 1.244 20 0 BDADLO O=C1C[N@@H+](CC2CCC(F)(F)CC2)CCN1 ZINC000334788756 386851758 /nfs/dbraw/zinc/85/17/58/386851758.db2.gz HVRUJUBLSPPSOD-UHFFFAOYSA-N 1 2 232.274 1.244 20 0 BDADLO C[C@@H]1C[N@H+](CC2=CCCCC2)CC[S@]1=O ZINC000334789393 386851889 /nfs/dbraw/zinc/85/18/89/386851889.db2.gz LDXUBSSEBSQQNB-IAQYHMDHSA-N 1 2 227.373 1.940 20 0 BDADLO C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[S@]1=O ZINC000334789393 386851893 /nfs/dbraw/zinc/85/18/93/386851893.db2.gz LDXUBSSEBSQQNB-IAQYHMDHSA-N 1 2 227.373 1.940 20 0 BDADLO Cc1nc(N(C)Cc2nccn2C)c(C)c(C)[nH+]1 ZINC000301915142 386891395 /nfs/dbraw/zinc/89/13/95/386891395.db2.gz INRWUKUFMGFMAN-UHFFFAOYSA-N 1 2 245.330 1.772 20 0 BDADLO CCCCc1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000331750199 386891557 /nfs/dbraw/zinc/89/15/57/386891557.db2.gz FNGHLCSUAOBBED-UHFFFAOYSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000331750199 386891562 /nfs/dbraw/zinc/89/15/62/386891562.db2.gz FNGHLCSUAOBBED-UHFFFAOYSA-N 1 2 239.319 1.367 20 0 BDADLO COCCN1C(=O)C2(CC2)[NH2+][C@]12CC[C@@H](C)C2 ZINC000334844501 386892325 /nfs/dbraw/zinc/89/23/25/386892325.db2.gz SSNKHMYBTZAVIQ-ZWNOBZJWSA-N 1 2 238.331 1.114 20 0 BDADLO COCCN1C(=O)C2(CC2)[NH2+][C@@]12CC[C@H](C)C2 ZINC000334844498 386892844 /nfs/dbraw/zinc/89/28/44/386892844.db2.gz SSNKHMYBTZAVIQ-GWCFXTLKSA-N 1 2 238.331 1.114 20 0 BDADLO Cc1cccc(CC[NH+]2CC(O)(C(F)F)C2)c1 ZINC000425343666 386857261 /nfs/dbraw/zinc/85/72/61/386857261.db2.gz AGGQHGUEBQIREZ-UHFFFAOYSA-N 1 2 241.281 1.849 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCOCC1CC1 ZINC000357877447 386859128 /nfs/dbraw/zinc/85/91/28/386859128.db2.gz ZUYRFYDKJOJENV-GLKRBJQHSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCOCC1CC1 ZINC000357877447 386859133 /nfs/dbraw/zinc/85/91/33/386859133.db2.gz ZUYRFYDKJOJENV-GLKRBJQHSA-N 1 2 245.388 1.254 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000331545028 386867808 /nfs/dbraw/zinc/86/78/08/386867808.db2.gz QDBJHFQLICPEJP-JTQLQIEISA-N 1 2 248.330 1.056 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000331545028 386867814 /nfs/dbraw/zinc/86/78/14/386867814.db2.gz QDBJHFQLICPEJP-JTQLQIEISA-N 1 2 248.330 1.056 20 0 BDADLO C/C=C/C=C\c1nc(Cc2c[nH+]cn2C)no1 ZINC000357941181 386868596 /nfs/dbraw/zinc/86/85/96/386868596.db2.gz DDEOJPPTMQLKBC-ICWBMWKASA-N 1 2 230.271 1.983 20 0 BDADLO Cc1c[nH+]c(CN[C@H](CCO)c2ccco2)n1C ZINC000341260652 386871093 /nfs/dbraw/zinc/87/10/93/386871093.db2.gz OWWBRUOUZVSYEE-LLVKDONJSA-N 1 2 249.314 1.535 20 0 BDADLO Cc1c[nH+]c(CNCc2ccc(F)cn2)n1C ZINC000341271796 386873114 /nfs/dbraw/zinc/87/31/14/386873114.db2.gz BVLXEIOKQFWUPH-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(F)cn2)n1C ZINC000341271796 386873116 /nfs/dbraw/zinc/87/31/16/386873116.db2.gz BVLXEIOKQFWUPH-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1conc1C ZINC000293772645 386876996 /nfs/dbraw/zinc/87/69/96/386876996.db2.gz BHDZVOCSRLBHRB-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1conc1C ZINC000293772645 386877004 /nfs/dbraw/zinc/87/70/04/386877004.db2.gz BHDZVOCSRLBHRB-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000334840605 386883968 /nfs/dbraw/zinc/88/39/68/386883968.db2.gz QHSLNMUVMIYKFQ-SECBINFHSA-N 1 2 219.288 1.450 20 0 BDADLO C[C@H](CO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301899851 386888414 /nfs/dbraw/zinc/88/84/14/386888414.db2.gz YMXKBOQXYQKXOZ-QMMMGPOBSA-N 1 2 232.287 1.252 20 0 BDADLO Cc1cc(NC[C@@]2(C)CCOC2)nc(C2CC2)[nH+]1 ZINC000341512934 386913657 /nfs/dbraw/zinc/91/36/57/386913657.db2.gz KNZLHYUUMSCOLC-CQSZACIVSA-N 1 2 247.342 1.923 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000334848588 386896075 /nfs/dbraw/zinc/89/60/75/386896075.db2.gz MPGUYCXYNNQZHX-CHWSQXEVSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000334848588 386896080 /nfs/dbraw/zinc/89/60/80/386896080.db2.gz MPGUYCXYNNQZHX-CHWSQXEVSA-N 1 2 248.326 1.831 20 0 BDADLO CN(C)c1ncc(CN(C)c2cccc[nH+]2)cn1 ZINC000302029273 386898628 /nfs/dbraw/zinc/89/86/28/386898628.db2.gz MIGFZXZDSRVJKS-UHFFFAOYSA-N 1 2 243.314 1.574 20 0 BDADLO COC(C)(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334857763 386911573 /nfs/dbraw/zinc/91/15/73/386911573.db2.gz ZIAXWQLVPZZUOG-UHFFFAOYSA-N 1 2 237.303 1.583 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC2(CO)CC2)[nH]1 ZINC000331815792 386912836 /nfs/dbraw/zinc/91/28/36/386912836.db2.gz BSJOHGRHWGKDTP-UHFFFAOYSA-N 1 2 238.335 1.132 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC2(CO)CC2)[nH]1 ZINC000331815792 386912839 /nfs/dbraw/zinc/91/28/39/386912839.db2.gz BSJOHGRHWGKDTP-UHFFFAOYSA-N 1 2 238.335 1.132 20 0 BDADLO CO[C@H](C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000302619482 386927624 /nfs/dbraw/zinc/92/76/24/386927624.db2.gz DEYSCZVWGVUEHV-MRVPVSSYSA-N 1 2 232.287 1.659 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000334873443 386935635 /nfs/dbraw/zinc/93/56/35/386935635.db2.gz RKPUKIOVFJBOMY-SNVBAGLBSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000341613616 386936380 /nfs/dbraw/zinc/93/63/80/386936380.db2.gz KDQKVDPNZFMJJR-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000341613616 386936390 /nfs/dbraw/zinc/93/63/90/386936390.db2.gz KDQKVDPNZFMJJR-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO O=C(CCc1ccccn1)Nc1cc[nH+]cc1O ZINC000358345581 386938914 /nfs/dbraw/zinc/93/89/14/386938914.db2.gz YVDOGGIRJVIUNI-UHFFFAOYSA-N 1 2 243.266 1.175 20 0 BDADLO O=C1N=NC(C[N@@H+]2C[C@H]3CCCC[C@H]32)S1 ZINC000368089457 386940024 /nfs/dbraw/zinc/94/00/24/386940024.db2.gz HGPRINHVDVXAMI-HTQZYQBOSA-N 1 2 225.317 1.618 20 0 BDADLO O=C1N=NC(C[N@H+]2C[C@H]3CCCC[C@H]32)S1 ZINC000368089457 386940027 /nfs/dbraw/zinc/94/00/27/386940027.db2.gz HGPRINHVDVXAMI-HTQZYQBOSA-N 1 2 225.317 1.618 20 0 BDADLO CO[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000330993915 386943603 /nfs/dbraw/zinc/94/36/03/386943603.db2.gz IBKMXIKLUUCEDP-BDAKNGLRSA-N 1 2 225.292 1.258 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000331069997 386953547 /nfs/dbraw/zinc/95/35/47/386953547.db2.gz SJRGLWNZQWHGCA-KOLCDFICSA-N 1 2 239.319 1.097 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCc1[nH]c[nH+]c1C ZINC000331079723 386957393 /nfs/dbraw/zinc/95/73/93/386957393.db2.gz XFJJOQJNOLEYJC-KCJUWKMLSA-N 1 2 239.319 1.395 20 0 BDADLO O=C(CC[N@@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000368327741 386960722 /nfs/dbraw/zinc/96/07/22/386960722.db2.gz GZDLGEWLPCRNRS-GXTWGEPZSA-N 1 2 231.295 1.733 20 0 BDADLO O=C(CC[N@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000368327741 386960728 /nfs/dbraw/zinc/96/07/28/386960728.db2.gz GZDLGEWLPCRNRS-GXTWGEPZSA-N 1 2 231.295 1.733 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2[nH]c[nH+]c2C)[nH]1 ZINC000341751145 386961291 /nfs/dbraw/zinc/96/12/91/386961291.db2.gz PCOMNSGOAGNCPD-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC[C@@H](C)O)[nH]1 ZINC000331163406 386979232 /nfs/dbraw/zinc/97/92/32/386979232.db2.gz MOMMBEGXXYODCY-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC[C@@H](C)O)[nH]1 ZINC000331163406 386979236 /nfs/dbraw/zinc/97/92/36/386979236.db2.gz MOMMBEGXXYODCY-SECBINFHSA-N 1 2 226.324 1.131 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000368514074 386984308 /nfs/dbraw/zinc/98/43/08/386984308.db2.gz KNAVHYULWUIJHP-LOMYTOQZSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000368514074 386984311 /nfs/dbraw/zinc/98/43/11/386984311.db2.gz KNAVHYULWUIJHP-LOMYTOQZSA-N 1 2 231.723 1.619 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2C[C@@H]2C(F)F)c[nH+]1 ZINC000334913629 386987641 /nfs/dbraw/zinc/98/76/41/386987641.db2.gz AWSMUINZRWNYIE-WDSKDSINSA-N 1 2 215.203 1.102 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353010574 386989800 /nfs/dbraw/zinc/98/98/00/386989800.db2.gz VUSYDJNNTLDYQR-SFYZADRCSA-N 1 2 237.246 1.109 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353010574 386989803 /nfs/dbraw/zinc/98/98/03/386989803.db2.gz VUSYDJNNTLDYQR-SFYZADRCSA-N 1 2 237.246 1.109 20 0 BDADLO CC(C)c1nnc(C[N@H+]2[C@H](C)C[C@@H]2C)[nH]1 ZINC000334915510 386990201 /nfs/dbraw/zinc/99/02/01/386990201.db2.gz PNGGSRQCCQQVDQ-DTORHVGOSA-N 1 2 208.309 1.911 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2[C@H](C)C[C@@H]2C)[nH]1 ZINC000334915510 386990204 /nfs/dbraw/zinc/99/02/04/386990204.db2.gz PNGGSRQCCQQVDQ-DTORHVGOSA-N 1 2 208.309 1.911 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccc(C)cc2)n1 ZINC000052946190 386993462 /nfs/dbraw/zinc/99/34/62/386993462.db2.gz BISHTAWSMKDATI-UHFFFAOYSA-N 1 2 231.299 1.883 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368636625 386996125 /nfs/dbraw/zinc/99/61/25/386996125.db2.gz IKVMZUWFERUKAD-QWHCGFSZSA-N 1 2 247.294 1.446 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368636625 386996132 /nfs/dbraw/zinc/99/61/32/386996132.db2.gz IKVMZUWFERUKAD-QWHCGFSZSA-N 1 2 247.294 1.446 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](CO)C(C)C)c(C)[nH+]1 ZINC000331285609 386996348 /nfs/dbraw/zinc/99/63/48/386996348.db2.gz XVIAZPRKKXBEQR-NSHDSACASA-N 1 2 236.315 1.901 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368639378 386997445 /nfs/dbraw/zinc/99/74/45/386997445.db2.gz URDRHNTYEVSGEQ-NEPJUHHUSA-N 1 2 213.321 1.522 20 0 BDADLO CC(C)CCOCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368639378 386997447 /nfs/dbraw/zinc/99/74/47/386997447.db2.gz URDRHNTYEVSGEQ-NEPJUHHUSA-N 1 2 213.321 1.522 20 0 BDADLO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649786 386998190 /nfs/dbraw/zinc/99/81/90/386998190.db2.gz COTZGDDCUDJMBX-SFYZADRCSA-N 1 2 210.281 1.273 20 0 BDADLO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332649786 386998197 /nfs/dbraw/zinc/99/81/97/386998197.db2.gz COTZGDDCUDJMBX-SFYZADRCSA-N 1 2 210.281 1.273 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)n1cncn1 ZINC000331247309 386998868 /nfs/dbraw/zinc/99/88/68/386998868.db2.gz VOTYYYGGVSUTSQ-SNVBAGLBSA-N 1 2 245.286 1.490 20 0 BDADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673650 387000132 /nfs/dbraw/zinc/00/01/32/387000132.db2.gz FYYHKQSZQITFQQ-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@H]1C[C@H](C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332673650 387000136 /nfs/dbraw/zinc/00/01/36/387000136.db2.gz FYYHKQSZQITFQQ-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000332684119 387000194 /nfs/dbraw/zinc/00/01/94/387000194.db2.gz SYZXDIFHFGXBKP-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000332684119 387000200 /nfs/dbraw/zinc/00/02/00/387000200.db2.gz SYZXDIFHFGXBKP-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)SC)c1[nH]cc[nH+]1 ZINC000331260100 387000773 /nfs/dbraw/zinc/00/07/73/387000773.db2.gz AVAWQLVDMGEVKD-HTQZYQBOSA-N 1 2 227.333 1.729 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000334820656 386950645 /nfs/dbraw/zinc/95/06/45/386950645.db2.gz MECNUFBBIDXEOP-KOLCDFICSA-N 1 2 222.336 1.135 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000334954502 387031809 /nfs/dbraw/zinc/03/18/09/387031809.db2.gz ILLYTFRPVBDNOC-VDISTLRHSA-N 1 2 228.295 1.982 20 0 BDADLO Cn1c[nH+]c2c1CCN(C(=O)NC1CCCC1)C2 ZINC000369332803 387037577 /nfs/dbraw/zinc/03/75/77/387037577.db2.gz WFLUERQVCRGYQK-UHFFFAOYSA-N 1 2 248.330 1.430 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000369366165 387040576 /nfs/dbraw/zinc/04/05/76/387040576.db2.gz KTFDGHOWVSFMMR-LLVKDONJSA-N 1 2 247.342 1.926 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H]1CCCO1 ZINC000333989425 387048050 /nfs/dbraw/zinc/04/80/50/387048050.db2.gz FZYJTAUAUFGTJD-MWLCHTKSSA-N 1 2 237.303 1.406 20 0 BDADLO CCSCC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459560259 387055870 /nfs/dbraw/zinc/05/58/70/387055870.db2.gz QBHBPKOYUDRCCY-NSHDSACASA-N 1 2 249.376 1.297 20 0 BDADLO CC(C)c1nc(NCC(=O)NC2CC2)cc[nH+]1 ZINC000110118056 387059398 /nfs/dbraw/zinc/05/93/98/387059398.db2.gz OOHXRXRKNAVNOM-UHFFFAOYSA-N 1 2 234.303 1.291 20 0 BDADLO CC(C)c1nc(N(C)C[C@@H](C)O)cc[nH+]1 ZINC000110281259 387059422 /nfs/dbraw/zinc/05/94/22/387059422.db2.gz GYKYTTLCZJMQQE-SECBINFHSA-N 1 2 209.293 1.417 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000352306849 387059857 /nfs/dbraw/zinc/05/98/57/387059857.db2.gz YBWVISRJWKSXPI-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000514610054 387014716 /nfs/dbraw/zinc/01/47/16/387014716.db2.gz QSAHPDPWOZEWPQ-SECBINFHSA-N 1 2 237.303 1.330 20 0 BDADLO FC(F)CC1C[NH+](Cc2cc[nH]n2)C1 ZINC000425364929 387022396 /nfs/dbraw/zinc/02/23/96/387022396.db2.gz HXLXEQSQSUHCDM-UHFFFAOYSA-N 1 2 201.220 1.497 20 0 BDADLO CC(=O)CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000369006004 387023845 /nfs/dbraw/zinc/02/38/45/387023845.db2.gz XTZBXRFSXUYUHF-LLVKDONJSA-N 1 2 237.303 1.884 20 0 BDADLO CC(=O)CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000369006004 387023847 /nfs/dbraw/zinc/02/38/47/387023847.db2.gz XTZBXRFSXUYUHF-LLVKDONJSA-N 1 2 237.303 1.884 20 0 BDADLO CCn1nncc1C[NH+]1CC(CC(F)F)C1 ZINC000425367813 387025988 /nfs/dbraw/zinc/02/59/88/387025988.db2.gz UYDXENCCRPWFAT-UHFFFAOYSA-N 1 2 230.262 1.385 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccc(C)nc2)C1 ZINC000425370219 387028255 /nfs/dbraw/zinc/02/82/55/387028255.db2.gz CDJCOESMBNGNRI-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3nncc3C2)cc1 ZINC000519177046 387028383 /nfs/dbraw/zinc/02/83/83/387028383.db2.gz RBHIKLKNLOKTLA-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3nncc3C2)cc1 ZINC000519177046 387028386 /nfs/dbraw/zinc/02/83/86/387028386.db2.gz RBHIKLKNLOKTLA-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2cncc(F)c2)C1 ZINC000519180158 387029878 /nfs/dbraw/zinc/02/98/78/387029878.db2.gz JXJVXPHOQDCYFH-UHFFFAOYSA-N 1 2 237.278 1.501 20 0 BDADLO O=C(NC1CCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334982594 387069608 /nfs/dbraw/zinc/06/96/08/387069608.db2.gz ZWCAYVVZMAVNSF-JTQLQIEISA-N 1 2 248.330 1.509 20 0 BDADLO O=C(NC1CCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334982594 387069610 /nfs/dbraw/zinc/06/96/10/387069610.db2.gz ZWCAYVVZMAVNSF-JTQLQIEISA-N 1 2 248.330 1.509 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(Cl)o1 ZINC000070650719 387071564 /nfs/dbraw/zinc/07/15/64/387071564.db2.gz AIVCTIOOVFQLKC-UHFFFAOYSA-N 1 2 239.662 1.928 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)CO1 ZINC000333909192 387077902 /nfs/dbraw/zinc/07/79/02/387077902.db2.gz WIVCSZBKBGLZIV-ZJUUUORDSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1cc(CNC(=O)NC2CC2)cc(C)[nH+]1 ZINC000334991709 387080812 /nfs/dbraw/zinc/08/08/12/387080812.db2.gz MXJGJQXTTYXTGU-UHFFFAOYSA-N 1 2 219.288 1.660 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000418068614 387083117 /nfs/dbraw/zinc/08/31/17/387083117.db2.gz OCJUPILXOHHJLC-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000418068614 387083118 /nfs/dbraw/zinc/08/31/18/387083118.db2.gz OCJUPILXOHHJLC-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccnn2C)on1 ZINC000352348695 387092163 /nfs/dbraw/zinc/09/21/63/387092163.db2.gz CWJSNVVVMVRQQV-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccnn2C)on1 ZINC000352348695 387092167 /nfs/dbraw/zinc/09/21/67/387092167.db2.gz CWJSNVVVMVRQQV-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cn1cnc2c1CC[N@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000370192146 387094286 /nfs/dbraw/zinc/09/42/86/387094286.db2.gz GONPWJLIUXAXOK-NSHDSACASA-N 1 2 249.358 1.736 20 0 BDADLO Cn1cnc2c1CC[N@@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000370192146 387094293 /nfs/dbraw/zinc/09/42/93/387094293.db2.gz GONPWJLIUXAXOK-NSHDSACASA-N 1 2 249.358 1.736 20 0 BDADLO Cn1c[nH+]c2c1CCN(C[C@@H]1CCC(C)(C)O1)C2 ZINC000370192146 387094295 /nfs/dbraw/zinc/09/42/95/387094295.db2.gz GONPWJLIUXAXOK-NSHDSACASA-N 1 2 249.358 1.736 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000336261417 387094634 /nfs/dbraw/zinc/09/46/34/387094634.db2.gz BCYVQPQHEVDMRS-MRVPVSSYSA-N 1 2 229.374 1.784 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000336261417 387094639 /nfs/dbraw/zinc/09/46/39/387094639.db2.gz BCYVQPQHEVDMRS-MRVPVSSYSA-N 1 2 229.374 1.784 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000359402030 387095443 /nfs/dbraw/zinc/09/54/43/387095443.db2.gz UENJLXIKGLALTJ-SNVBAGLBSA-N 1 2 249.314 1.143 20 0 BDADLO CC(=O)CCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000359402030 387095448 /nfs/dbraw/zinc/09/54/48/387095448.db2.gz UENJLXIKGLALTJ-SNVBAGLBSA-N 1 2 249.314 1.143 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]1CF ZINC000359595769 387132564 /nfs/dbraw/zinc/13/25/64/387132564.db2.gz LSGONEVZUNJFRG-VIFPVBQESA-N 1 2 225.267 1.303 20 0 BDADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)CC(C)C ZINC000418090422 387099048 /nfs/dbraw/zinc/09/90/48/387099048.db2.gz CPSOHTYHBBQEBH-LLVKDONJSA-N 1 2 211.309 1.560 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000112336611 387103171 /nfs/dbraw/zinc/10/31/71/387103171.db2.gz AXQXAWZIBQGZHH-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000112336611 387103176 /nfs/dbraw/zinc/10/31/76/387103176.db2.gz AXQXAWZIBQGZHH-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO Cc1nc(C)c(F)c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000359454237 387103936 /nfs/dbraw/zinc/10/39/36/387103936.db2.gz IKOPDNLUGGJOBU-MRVPVSSYSA-N 1 2 249.293 1.352 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000359604115 387131569 /nfs/dbraw/zinc/13/15/69/387131569.db2.gz WGXKQIVYEOJZRS-KOLCDFICSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@](C)(F)C1 ZINC000359604115 387131573 /nfs/dbraw/zinc/13/15/73/387131573.db2.gz WGXKQIVYEOJZRS-KOLCDFICSA-N 1 2 215.268 1.372 20 0 BDADLO Cc1nc(C)c(F)c(NCCCn2cc[nH+]c2)n1 ZINC000359465876 387106057 /nfs/dbraw/zinc/10/60/57/387106057.db2.gz KRRVJVQQTBQEBE-UHFFFAOYSA-N 1 2 249.293 1.353 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n(C)n1 ZINC000334948090 387110143 /nfs/dbraw/zinc/11/01/43/387110143.db2.gz MROPXVHATVWYKP-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)n(C)n1 ZINC000334948090 387110147 /nfs/dbraw/zinc/11/01/47/387110147.db2.gz MROPXVHATVWYKP-CYBMUJFWSA-N 1 2 235.331 1.339 20 0 BDADLO CCC[C@]1(C)CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000193396335 387116655 /nfs/dbraw/zinc/11/66/55/387116655.db2.gz REZMSJKAJKKESP-GFCCVEGCSA-N 1 2 237.351 1.612 20 0 BDADLO CCC[C@]1(C)CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000193396335 387116661 /nfs/dbraw/zinc/11/66/61/387116661.db2.gz REZMSJKAJKKESP-GFCCVEGCSA-N 1 2 237.351 1.612 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000359522917 387118221 /nfs/dbraw/zinc/11/82/21/387118221.db2.gz ROPVVSOTUHXOKV-ZDUSSCGKSA-N 1 2 243.310 1.608 20 0 BDADLO CCC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000119313719 387119220 /nfs/dbraw/zinc/11/92/20/387119220.db2.gz JMNGBPKAPFLQDH-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO C[C@H]1CCCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335027359 387120615 /nfs/dbraw/zinc/12/06/15/387120615.db2.gz GDXNFQVTKQUWOY-VHSXEESVSA-N 1 2 246.301 1.632 20 0 BDADLO CCOC(=O)C[C@](C)([NH2+]CC(=O)OC)C(C)C ZINC000186710672 387126181 /nfs/dbraw/zinc/12/61/81/387126181.db2.gz JWZLSZDGVVFEJF-LBPRGKRZSA-N 1 2 245.319 1.117 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1CF ZINC000359595767 387132432 /nfs/dbraw/zinc/13/24/32/387132432.db2.gz LSGONEVZUNJFRG-SECBINFHSA-N 1 2 225.267 1.303 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353168495 387147165 /nfs/dbraw/zinc/14/71/65/387147165.db2.gz CHNHVTQPGBWYQM-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000353168495 387147169 /nfs/dbraw/zinc/14/71/69/387147169.db2.gz CHNHVTQPGBWYQM-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000353158910 387148953 /nfs/dbraw/zinc/14/89/53/387148953.db2.gz CCXQWSDHNGMEOT-RYUDHWBXSA-N 1 2 239.319 1.002 20 0 BDADLO Cc1noc(C[N@H+]2CCS[C@H](C)[C@H]2C)n1 ZINC000336321622 387150936 /nfs/dbraw/zinc/15/09/36/387150936.db2.gz WBEJALINGPXJMO-HTQZYQBOSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1noc(C[N@@H+]2CCS[C@H](C)[C@H]2C)n1 ZINC000336321622 387150940 /nfs/dbraw/zinc/15/09/40/387150940.db2.gz WBEJALINGPXJMO-HTQZYQBOSA-N 1 2 227.333 1.704 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1ncnn1CC(C)C ZINC000353209636 387159017 /nfs/dbraw/zinc/15/90/17/387159017.db2.gz ZXYYNDGCECQWQD-LLVKDONJSA-N 1 2 240.351 1.401 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1ncnn1CC(C)C ZINC000353209636 387159024 /nfs/dbraw/zinc/15/90/24/387159024.db2.gz ZXYYNDGCECQWQD-LLVKDONJSA-N 1 2 240.351 1.401 20 0 BDADLO COCCCC[N@H+](C)Cc1cn[nH]c1C ZINC000418141651 387164060 /nfs/dbraw/zinc/16/40/60/387164060.db2.gz XBHLFXKGIJWZMA-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO COCCCC[N@@H+](C)Cc1cn[nH]c1C ZINC000418141651 387164066 /nfs/dbraw/zinc/16/40/66/387164066.db2.gz XBHLFXKGIJWZMA-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO COCc1nc(C[NH2+]Cc2cccnc2)cs1 ZINC000353255233 387166820 /nfs/dbraw/zinc/16/68/20/387166820.db2.gz WRDRIDYPIOKAOK-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO Cc1nc(N(C)CC2(O)CCC2)c(C)c(C)[nH+]1 ZINC000353283871 387171231 /nfs/dbraw/zinc/17/12/31/387171231.db2.gz XNGOASMYVASHSF-UHFFFAOYSA-N 1 2 235.331 1.753 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+]1CCNC(=O)[C@H]1C ZINC000571834790 387178906 /nfs/dbraw/zinc/17/89/06/387178906.db2.gz DGAALSRUFRXZLI-NXEZZACHSA-N 1 2 238.356 1.499 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+]1CCNC(=O)[C@H]1C ZINC000571834790 387178911 /nfs/dbraw/zinc/17/89/11/387178911.db2.gz DGAALSRUFRXZLI-NXEZZACHSA-N 1 2 238.356 1.499 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000353339866 387183281 /nfs/dbraw/zinc/18/32/81/387183281.db2.gz XNGMWGQLGIONTH-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CC[C@@H](C)c1cc(C(=O)NCc2[nH]cc[nH+]2)on1 ZINC000120140836 387188170 /nfs/dbraw/zinc/18/81/70/387188170.db2.gz DZFOCEZGRQEUBH-MRVPVSSYSA-N 1 2 248.286 1.841 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000359917613 387191245 /nfs/dbraw/zinc/19/12/45/387191245.db2.gz NVIZEWSLGXTOAN-GXSJLCMTSA-N 1 2 236.315 1.669 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cccc(O)c1 ZINC000336309942 387137507 /nfs/dbraw/zinc/13/75/07/387137507.db2.gz LQEVIPDVEJEWLG-NWDGAFQWSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cccc(O)c1 ZINC000336309942 387137510 /nfs/dbraw/zinc/13/75/10/387137510.db2.gz LQEVIPDVEJEWLG-NWDGAFQWSA-N 1 2 234.343 1.917 20 0 BDADLO CO[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000353481813 387212146 /nfs/dbraw/zinc/21/21/46/387212146.db2.gz XBWCDTPCWFANHQ-SNVBAGLBSA-N 1 2 225.292 1.039 20 0 BDADLO O=C(C1=COCCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371439758 387214475 /nfs/dbraw/zinc/21/44/75/387214475.db2.gz MQOAWSDXFVFVFQ-NSHDSACASA-N 1 2 247.298 1.768 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccon1 ZINC000371461343 387217862 /nfs/dbraw/zinc/21/78/62/387217862.db2.gz XGCDGWOSCXZQOR-SNVBAGLBSA-N 1 2 246.270 1.385 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccco1 ZINC000371464674 387220332 /nfs/dbraw/zinc/22/03/32/387220332.db2.gz VNLVAJAMDGAURC-JTQLQIEISA-N 1 2 245.282 1.990 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000371487633 387222341 /nfs/dbraw/zinc/22/23/41/387222341.db2.gz HOSRFUVBZHHJDJ-MWLCHTKSSA-N 1 2 235.331 1.669 20 0 BDADLO Cc1[nH]c(CNc2ccn(C(C)C)n2)[nH+]c1C ZINC000572059805 387225537 /nfs/dbraw/zinc/22/55/37/387225537.db2.gz QBEBYKTZPVVCOO-UHFFFAOYSA-N 1 2 233.319 1.838 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000360139675 387232250 /nfs/dbraw/zinc/23/22/50/387232250.db2.gz DVPUPCWILBPVLD-NXEZZACHSA-N 1 2 221.304 1.473 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C[C@@H]2C)o1 ZINC000353606216 387240388 /nfs/dbraw/zinc/24/03/88/387240388.db2.gz MSXKAPBLWDDALF-NSHDSACASA-N 1 2 222.332 1.978 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C[C@@H]2C)o1 ZINC000353606216 387240393 /nfs/dbraw/zinc/24/03/93/387240393.db2.gz MSXKAPBLWDDALF-NSHDSACASA-N 1 2 222.332 1.978 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000424665911 387241339 /nfs/dbraw/zinc/24/13/39/387241339.db2.gz OLBHWLZLVDYSSK-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC3(CCC3)C2)nc1 ZINC000353624802 387242426 /nfs/dbraw/zinc/24/24/26/387242426.db2.gz FNBMNLICHHCRAM-UHFFFAOYSA-N 1 2 247.342 1.788 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC3(CCC3)C2)nc1 ZINC000353624802 387242429 /nfs/dbraw/zinc/24/24/29/387242429.db2.gz FNBMNLICHHCRAM-UHFFFAOYSA-N 1 2 247.342 1.788 20 0 BDADLO CCO[C@@H](C)c1noc(Cn2cc[nH+]c2)n1 ZINC000120405029 387242580 /nfs/dbraw/zinc/24/25/80/387242580.db2.gz NCEOKOSEDKRVMM-QMMMGPOBSA-N 1 2 222.248 1.412 20 0 BDADLO Cc1[nH]ccc1C(=O)Nc1cc[nH+]cc1C ZINC000336417710 387244104 /nfs/dbraw/zinc/24/41/04/387244104.db2.gz JBNIXFRPHDIOEZ-UHFFFAOYSA-N 1 2 215.256 1.701 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)c1cccnc1 ZINC000360213843 387246217 /nfs/dbraw/zinc/24/62/17/387246217.db2.gz RNFGRWUNUHMSCI-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CCOCc1nc([C@@H](C)[NH2+][C@@H]2CCOC2)no1 ZINC000353627529 387246523 /nfs/dbraw/zinc/24/65/23/387246523.db2.gz WNJCUSHTQPHLIW-RKDXNWHRSA-N 1 2 241.291 1.046 20 0 BDADLO CC(C)c1nc(N2CC[C@@](C)(C(N)=O)C2)cc[nH+]1 ZINC000360256375 387252159 /nfs/dbraw/zinc/25/21/59/387252159.db2.gz GATMMGOKOWTEFL-CYBMUJFWSA-N 1 2 248.330 1.302 20 0 BDADLO C[C@H](CC(=O)NC(C)(C)CF)n1cc[nH+]c1 ZINC000571928781 387198779 /nfs/dbraw/zinc/19/87/79/387198779.db2.gz JRIAUENNLVDXPD-SECBINFHSA-N 1 2 227.283 1.699 20 0 BDADLO COC[C@@H]([NH2+]CC(F)(F)CN)C1CCCC1 ZINC000423349963 387200797 /nfs/dbraw/zinc/20/07/97/387200797.db2.gz XZMSERNBIDMENB-SNVBAGLBSA-N 1 2 236.306 1.375 20 0 BDADLO COC[C@H]([NH2+]CC(F)(F)CN)C1CCCC1 ZINC000423349962 387201467 /nfs/dbraw/zinc/20/14/67/387201467.db2.gz XZMSERNBIDMENB-JTQLQIEISA-N 1 2 236.306 1.375 20 0 BDADLO CCCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000359966522 387201543 /nfs/dbraw/zinc/20/15/43/387201543.db2.gz PNDZJRTZXFTSCX-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000359966522 387201550 /nfs/dbraw/zinc/20/15/50/387201550.db2.gz PNDZJRTZXFTSCX-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000336481241 387309808 /nfs/dbraw/zinc/30/98/08/387309808.db2.gz TXDASTCDCWTXLJ-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000336481241 387309813 /nfs/dbraw/zinc/30/98/13/387309813.db2.gz TXDASTCDCWTXLJ-LBPRGKRZSA-N 1 2 224.279 1.296 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336429660 387256672 /nfs/dbraw/zinc/25/66/72/387256672.db2.gz PDFOLQNONDOCAC-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ncc(Cl)s1 ZINC000336429660 387256675 /nfs/dbraw/zinc/25/66/75/387256675.db2.gz PDFOLQNONDOCAC-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CCc1ncc(CNc2nc(C)[nH+]cc2C)o1 ZINC000572179469 387257858 /nfs/dbraw/zinc/25/78/58/387257858.db2.gz WHDBDKZUDMRVBN-UHFFFAOYSA-N 1 2 232.287 1.678 20 0 BDADLO COc1cnc(NCc2c[nH+]cn2C(C)C)nc1 ZINC000424723755 387260065 /nfs/dbraw/zinc/26/00/65/387260065.db2.gz PLVQPZDDEDLMHE-UHFFFAOYSA-N 1 2 247.302 1.297 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cc(Cl)c[nH]1 ZINC000336434833 387261064 /nfs/dbraw/zinc/26/10/64/387261064.db2.gz YFZZJTPLZSHIGU-UHFFFAOYSA-N 1 2 238.678 1.332 20 0 BDADLO CCC[C@@]1([NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000285468037 387269050 /nfs/dbraw/zinc/26/90/50/387269050.db2.gz KFWOSMPTIMZBSG-GFCCVEGCSA-N 1 2 223.320 1.767 20 0 BDADLO C[C@H](CC(=O)N(C)CC(C)(C)O)n1cc[nH+]c1 ZINC000572248470 387279370 /nfs/dbraw/zinc/27/93/70/387279370.db2.gz FWDODUOSQNCUGW-SNVBAGLBSA-N 1 2 239.319 1.064 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(F)c1 ZINC000336451270 387279539 /nfs/dbraw/zinc/27/95/39/387279539.db2.gz QLPDDLXBHWGPHK-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(F)c1 ZINC000336451270 387279542 /nfs/dbraw/zinc/27/95/42/387279542.db2.gz QLPDDLXBHWGPHK-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO Cc1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)o1 ZINC000336455394 387281243 /nfs/dbraw/zinc/28/12/43/387281243.db2.gz YMGFMNDYKPVGBL-QWRGUYRKSA-N 1 2 241.356 1.929 20 0 BDADLO C[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000157670303 387284210 /nfs/dbraw/zinc/28/42/10/387284210.db2.gz KFVVDOSNNSPKEV-UHFFFAOYSA-N 1 2 240.376 1.587 20 0 BDADLO c1csc(CN2CCn3cc[nH+]c3C2)c1 ZINC000336471696 387301532 /nfs/dbraw/zinc/30/15/32/387301532.db2.gz PYCWJTSIHDVUJQ-UHFFFAOYSA-N 1 2 219.313 1.960 20 0 BDADLO CC(C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336532367 387354716 /nfs/dbraw/zinc/35/47/16/387354716.db2.gz LAHDPRLKOUMRKF-VIFPVBQESA-N 1 2 207.277 1.729 20 0 BDADLO Cc1cc(NC(=O)[C@](C)(O)C(C)C)cc[nH+]1 ZINC000336540228 387363036 /nfs/dbraw/zinc/36/30/36/387363036.db2.gz NDHHPLIJIIILAV-GFCCVEGCSA-N 1 2 222.288 1.157 20 0 BDADLO C[C@@H]1OCC[C@]12C[N@H+](C/C=C/Cl)CCO2 ZINC000373403044 387364363 /nfs/dbraw/zinc/36/43/63/387364363.db2.gz MGOCIUZKGSWAQY-LOMYTOQZSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@@H]1OCC[C@]12C[N@@H+](C/C=C/Cl)CCO2 ZINC000373403044 387364369 /nfs/dbraw/zinc/36/43/69/387364369.db2.gz MGOCIUZKGSWAQY-LOMYTOQZSA-N 1 2 231.723 1.619 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](CO)[C@H]2C)cc[nH+]1 ZINC000336548466 387370594 /nfs/dbraw/zinc/37/05/94/387370594.db2.gz FLDROYIGTOKWNK-MNOVXSKESA-N 1 2 249.314 1.047 20 0 BDADLO Cn1ccnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000336553962 387376353 /nfs/dbraw/zinc/37/63/53/387376353.db2.gz PCKGPJLBEYNWHT-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000336553962 387376359 /nfs/dbraw/zinc/37/63/59/387376359.db2.gz PCKGPJLBEYNWHT-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC2(CC2)CC1 ZINC000373537745 387381227 /nfs/dbraw/zinc/38/12/27/387381227.db2.gz LKVBCPWJUPGOHT-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC2(CC2)CC1 ZINC000373537745 387381233 /nfs/dbraw/zinc/38/12/33/387381233.db2.gz LKVBCPWJUPGOHT-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC23CCC3)nc1 ZINC000336555689 387381229 /nfs/dbraw/zinc/38/12/29/387381229.db2.gz VVEJSBFSSKJWQG-UHFFFAOYSA-N 1 2 203.289 1.913 20 0 BDADLO Cc1cnc(C[N@H+]2CCC23CCC3)nc1 ZINC000336555689 387381232 /nfs/dbraw/zinc/38/12/32/387381232.db2.gz VVEJSBFSSKJWQG-UHFFFAOYSA-N 1 2 203.289 1.913 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000372658666 387320114 /nfs/dbraw/zinc/32/01/14/387320114.db2.gz AKHACNWGIXKUQL-WDEREUQCSA-N 1 2 225.288 1.424 20 0 BDADLO CC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000372658666 387320118 /nfs/dbraw/zinc/32/01/18/387320118.db2.gz AKHACNWGIXKUQL-WDEREUQCSA-N 1 2 225.288 1.424 20 0 BDADLO c1cn(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c[nH+]1 ZINC000336495831 387321307 /nfs/dbraw/zinc/32/13/07/387321307.db2.gz DDRCJMGVYWGWBO-ZDUSSCGKSA-N 1 2 248.374 1.520 20 0 BDADLO CO[C@@H](C)CN(C)c1nc[nH+]c(N)c1Cl ZINC000286210463 387321942 /nfs/dbraw/zinc/32/19/42/387321942.db2.gz BHJGRCZRNDKOQK-LURJTMIESA-N 1 2 230.699 1.183 20 0 BDADLO CO[C@@H](C)CN(C)c1[nH+]cnc(N)c1Cl ZINC000286210463 387321949 /nfs/dbraw/zinc/32/19/49/387321949.db2.gz BHJGRCZRNDKOQK-LURJTMIESA-N 1 2 230.699 1.183 20 0 BDADLO CCc1cccc(F)c1C[NH2+]Cc1nncn1C ZINC000354164615 387340390 /nfs/dbraw/zinc/34/03/90/387340390.db2.gz PGFOVZBAPWLRCE-UHFFFAOYSA-N 1 2 248.305 1.806 20 0 BDADLO C(C1CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000121387799 387344404 /nfs/dbraw/zinc/34/44/04/387344404.db2.gz DZLZLTCOTCUDTP-ZDUSSCGKSA-N 1 2 224.348 1.193 20 0 BDADLO COCc1cc(C[NH+]2[C@H](C)C[C@H]2C)no1 ZINC000515792194 387426366 /nfs/dbraw/zinc/42/63/66/387426366.db2.gz RJXAKWIVOXLDLF-RKDXNWHRSA-N 1 2 210.277 1.804 20 0 BDADLO CSCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000354800551 387430674 /nfs/dbraw/zinc/43/06/74/387430674.db2.gz FQYOGPAXQKAWOR-UHFFFAOYSA-N 1 2 227.333 1.164 20 0 BDADLO CC[C@@H](C)C[N@H+](CC)Cc1nnn(C)n1 ZINC000194449710 387432943 /nfs/dbraw/zinc/43/29/43/387432943.db2.gz CQFUKCOBNMJMRU-SECBINFHSA-N 1 2 211.313 1.078 20 0 BDADLO CC[C@@H](C)C[N@@H+](CC)Cc1nnn(C)n1 ZINC000194449710 387432946 /nfs/dbraw/zinc/43/29/46/387432946.db2.gz CQFUKCOBNMJMRU-SECBINFHSA-N 1 2 211.313 1.078 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000352672151 387433251 /nfs/dbraw/zinc/43/32/51/387433251.db2.gz QYXHHRGVQXJUIM-TUAOUCFPSA-N 1 2 231.311 1.614 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000352672151 387433254 /nfs/dbraw/zinc/43/32/54/387433254.db2.gz QYXHHRGVQXJUIM-TUAOUCFPSA-N 1 2 231.311 1.614 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000374323242 387443521 /nfs/dbraw/zinc/44/35/21/387443521.db2.gz YZEWQPJFEYPGQD-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000374323242 387443524 /nfs/dbraw/zinc/44/35/24/387443524.db2.gz YZEWQPJFEYPGQD-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ncnn2CC)cn1 ZINC000352713256 387457521 /nfs/dbraw/zinc/45/75/21/387457521.db2.gz RODKIRKLLMRNSV-UHFFFAOYSA-N 1 2 245.330 1.545 20 0 BDADLO CC(C)n1cc(C[N@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000336618509 387458687 /nfs/dbraw/zinc/45/86/87/387458687.db2.gz BIHCBVFRAPTLSV-AOOOYVTPSA-N 1 2 208.309 1.842 20 0 BDADLO CC(C)n1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)nn1 ZINC000336618509 387458689 /nfs/dbraw/zinc/45/86/89/387458689.db2.gz BIHCBVFRAPTLSV-AOOOYVTPSA-N 1 2 208.309 1.842 20 0 BDADLO C[S@](=O)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000121605303 387387223 /nfs/dbraw/zinc/38/72/23/387387223.db2.gz XHZKYIRBQZYXDK-MRXNPFEDSA-N 1 2 235.312 1.759 20 0 BDADLO Cc1cnccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000303686479 387387938 /nfs/dbraw/zinc/38/79/38/387387938.db2.gz IGPBYNYKPIXYQF-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)c(C)n1 ZINC000121687243 387392981 /nfs/dbraw/zinc/39/29/81/387392981.db2.gz PFUAMYHCPNQRCA-UHFFFAOYSA-N 1 2 245.286 1.743 20 0 BDADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cscn1 ZINC000361568307 387495114 /nfs/dbraw/zinc/49/51/14/387495114.db2.gz WTTWFIXEWPZXTG-GXSJLCMTSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cscn1 ZINC000361568307 387495120 /nfs/dbraw/zinc/49/51/20/387495120.db2.gz WTTWFIXEWPZXTG-GXSJLCMTSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cscn1 ZINC000361568308 387496888 /nfs/dbraw/zinc/49/68/88/387496888.db2.gz WTTWFIXEWPZXTG-KOLCDFICSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cscn1 ZINC000361568308 387496893 /nfs/dbraw/zinc/49/68/93/387496893.db2.gz WTTWFIXEWPZXTG-KOLCDFICSA-N 1 2 242.344 1.115 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000361568221 387497043 /nfs/dbraw/zinc/49/70/43/387497043.db2.gz QVDJZNVEEYHSBZ-DCAQKATOSA-N 1 2 243.347 1.730 20 0 BDADLO COCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000516297420 387497655 /nfs/dbraw/zinc/49/76/55/387497655.db2.gz CHSZGMBYRVWWQQ-LLVKDONJSA-N 1 2 239.319 1.377 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000355221582 387500030 /nfs/dbraw/zinc/50/00/30/387500030.db2.gz DRVDIVPTJWGSBH-NEPJUHHUSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H](CC(N)=O)Nc1ccc2ccccc2[nH+]1 ZINC000122241741 387502000 /nfs/dbraw/zinc/50/20/00/387502000.db2.gz PJGQWIZUGYSIIF-SECBINFHSA-N 1 2 229.283 1.911 20 0 BDADLO CC[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000421924538 387504373 /nfs/dbraw/zinc/50/43/73/387504373.db2.gz WYEDRIBABWDDTR-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO O=S(=O)(CCF)Cc1cn2ccccc2[nH+]1 ZINC000361602168 387508880 /nfs/dbraw/zinc/50/88/80/387508880.db2.gz QGXUSGFVWOGBBZ-UHFFFAOYSA-N 1 2 242.275 1.219 20 0 BDADLO CC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CC1(C)C ZINC000397639516 387519843 /nfs/dbraw/zinc/51/98/43/387519843.db2.gz XFTOZAXKSPFWLX-HTQZYQBOSA-N 1 2 224.308 1.425 20 0 BDADLO Fc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000375287703 387521776 /nfs/dbraw/zinc/52/17/76/387521776.db2.gz ITCXQQVOFXIBOK-PHIMTYICSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000375287703 387521778 /nfs/dbraw/zinc/52/17/78/387521778.db2.gz ITCXQQVOFXIBOK-PHIMTYICSA-N 1 2 222.263 1.584 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@@H]1CCCCO1 ZINC000361691635 387523433 /nfs/dbraw/zinc/52/34/33/387523433.db2.gz FTDSXXVTFISRNT-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@@H]1CCCCO1 ZINC000361691635 387523436 /nfs/dbraw/zinc/52/34/36/387523436.db2.gz FTDSXXVTFISRNT-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2)c2nccn21 ZINC000379181351 387524033 /nfs/dbraw/zinc/52/40/33/387524033.db2.gz RZBXZUNIICTDPC-SCZZXKLOSA-N 1 2 217.276 1.402 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000375320084 387525900 /nfs/dbraw/zinc/52/59/00/387525900.db2.gz QDJMBKLJBVOOIH-VXGBXAGGSA-N 1 2 249.358 1.950 20 0 BDADLO FC1(C[NH+]2CCN(Cc3ccncc3)CC2)CC1 ZINC000527233732 387544327 /nfs/dbraw/zinc/54/43/27/387544327.db2.gz GJSPDXKIFWAHCY-UHFFFAOYSA-N 1 2 249.333 1.701 20 0 BDADLO FC1(CN2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000527233732 387544330 /nfs/dbraw/zinc/54/43/30/387544330.db2.gz GJSPDXKIFWAHCY-UHFFFAOYSA-N 1 2 249.333 1.701 20 0 BDADLO COc1cc(C)nc(CNc2cc[nH+]cc2F)c1 ZINC000361801649 387534702 /nfs/dbraw/zinc/53/47/02/387534702.db2.gz WYKGLNOUCAQTNC-UHFFFAOYSA-N 1 2 247.273 1.967 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000426135967 387539243 /nfs/dbraw/zinc/53/92/43/387539243.db2.gz KASKDDSXEMGKLX-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000426135967 387539247 /nfs/dbraw/zinc/53/92/47/387539247.db2.gz KASKDDSXEMGKLX-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccc[nH]1 ZINC000355461886 387539793 /nfs/dbraw/zinc/53/97/93/387539793.db2.gz OYJQUXKDJOWOKW-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)nc1 ZINC000426137895 387540085 /nfs/dbraw/zinc/54/00/85/387540085.db2.gz GVPAEGXVYCCARK-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)nc1 ZINC000426137895 387540088 /nfs/dbraw/zinc/54/00/88/387540088.db2.gz GVPAEGXVYCCARK-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO CCN(C(=O)Cc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000516160673 387475327 /nfs/dbraw/zinc/47/53/27/387475327.db2.gz XNXRCQVHVQQCES-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634671 387475507 /nfs/dbraw/zinc/47/55/07/387475507.db2.gz AGCSMHRZLNFMPZ-GXTWGEPZSA-N 1 2 248.301 1.446 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634671 387475509 /nfs/dbraw/zinc/47/55/09/387475509.db2.gz AGCSMHRZLNFMPZ-GXTWGEPZSA-N 1 2 248.301 1.446 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000336630453 387482545 /nfs/dbraw/zinc/48/25/45/387482545.db2.gz KLSIHFYBFJJKKM-GNXNZQSNSA-N 1 2 247.342 1.815 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)CC1(C)CC1 ZINC000516243447 387486542 /nfs/dbraw/zinc/48/65/42/387486542.db2.gz HWIXEUFPUMLXCA-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1(C)CC1 ZINC000516243447 387486545 /nfs/dbraw/zinc/48/65/45/387486545.db2.gz HWIXEUFPUMLXCA-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCCCCF ZINC000362161114 387580267 /nfs/dbraw/zinc/58/02/67/387580267.db2.gz NZENXTLTWIQBKZ-UHFFFAOYSA-N 1 2 242.298 1.311 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCOC1 ZINC000336717909 387580978 /nfs/dbraw/zinc/58/09/78/387580978.db2.gz UTTYHGLTPKCMHO-SNVBAGLBSA-N 1 2 235.287 1.609 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1CCC1)C2 ZINC000375772591 387581572 /nfs/dbraw/zinc/58/15/72/387581572.db2.gz JXSDASFVUQSLKZ-NSHDSACASA-N 1 2 233.315 1.423 20 0 BDADLO CC[C@@H](NC(=O)c1ccncc1C)c1[nH]cc[nH+]1 ZINC000336788472 387581709 /nfs/dbraw/zinc/58/17/09/387581709.db2.gz PJFWRBGQXAGIGQ-LLVKDONJSA-N 1 2 244.298 1.994 20 0 BDADLO c1coc([C@@H]2COCC[N@H+]2C[C@@H]2CCCO2)c1 ZINC000375798724 387583534 /nfs/dbraw/zinc/58/35/34/387583534.db2.gz XDOQFXWZEZUOQW-RYUDHWBXSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@@H]2COCC[N@@H+]2C[C@@H]2CCCO2)c1 ZINC000375798724 387583540 /nfs/dbraw/zinc/58/35/40/387583540.db2.gz XDOQFXWZEZUOQW-RYUDHWBXSA-N 1 2 237.299 1.832 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC[C@H]2C)no1 ZINC000362237976 387587067 /nfs/dbraw/zinc/58/70/67/387587067.db2.gz PSNLZWMVOCQTML-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC[C@H]2C)no1 ZINC000362237976 387587073 /nfs/dbraw/zinc/58/70/73/387587073.db2.gz PSNLZWMVOCQTML-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CO)C2)cs1 ZINC000294652018 387591723 /nfs/dbraw/zinc/59/17/23/387591723.db2.gz BOXXTJAHHIOINF-LLVKDONJSA-N 1 2 227.329 1.250 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CO)C2)cs1 ZINC000294652018 387591728 /nfs/dbraw/zinc/59/17/28/387591728.db2.gz BOXXTJAHHIOINF-LLVKDONJSA-N 1 2 227.329 1.250 20 0 BDADLO c1c[nH+]c(CNc2cccc3c2OCC3)[nH]1 ZINC000527532202 387598464 /nfs/dbraw/zinc/59/84/64/387598464.db2.gz HZWXSPKFAZSBKX-UHFFFAOYSA-N 1 2 215.256 1.957 20 0 BDADLO COCc1noc(C[N@H+]2CC(C)=C[C@@H](C)C2)n1 ZINC000430264467 387604141 /nfs/dbraw/zinc/60/41/41/387604141.db2.gz BHHWPNITVMROPR-SECBINFHSA-N 1 2 237.303 1.614 20 0 BDADLO COCc1noc(C[N@@H+]2CC(C)=C[C@@H](C)C2)n1 ZINC000430264467 387604144 /nfs/dbraw/zinc/60/41/44/387604144.db2.gz BHHWPNITVMROPR-SECBINFHSA-N 1 2 237.303 1.614 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000362507102 387620519 /nfs/dbraw/zinc/62/05/19/387620519.db2.gz UDULLNLNJXFLKB-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000362507102 387620523 /nfs/dbraw/zinc/62/05/23/387620523.db2.gz UDULLNLNJXFLKB-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO c1cc(C[NH+]2CCC(n3cncn3)CC2)no1 ZINC000122994446 387621113 /nfs/dbraw/zinc/62/11/13/387621113.db2.gz RMZKTJNBSSVPPC-UHFFFAOYSA-N 1 2 233.275 1.103 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C1(C)CCC1 ZINC000426174175 387546576 /nfs/dbraw/zinc/54/65/76/387546576.db2.gz YMFYEIHXCKPSBL-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO Cc1nc(N2CC(O)(C3CC3)C2)c(C)c(C)[nH+]1 ZINC000375505836 387549097 /nfs/dbraw/zinc/54/90/97/387549097.db2.gz BXURAGLRJIZTHG-UHFFFAOYSA-N 1 2 233.315 1.363 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000375659352 387561663 /nfs/dbraw/zinc/56/16/63/387561663.db2.gz HCOCNBOIKLDASB-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO Cn1nnnc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000375659352 387561667 /nfs/dbraw/zinc/56/16/67/387561667.db2.gz HCOCNBOIKLDASB-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCO)n1 ZINC000305149090 387563422 /nfs/dbraw/zinc/56/34/22/387563422.db2.gz STXUAANOCGGWHG-QMMMGPOBSA-N 1 2 245.348 1.308 20 0 BDADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCO)n1 ZINC000305149090 387563426 /nfs/dbraw/zinc/56/34/26/387563426.db2.gz STXUAANOCGGWHG-QMMMGPOBSA-N 1 2 245.348 1.308 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCS1 ZINC000362549067 387627684 /nfs/dbraw/zinc/62/76/84/387627684.db2.gz AETLMKROVNGMBP-JTQLQIEISA-N 1 2 239.344 1.285 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000375702239 387570600 /nfs/dbraw/zinc/57/06/00/387570600.db2.gz BCPSPVCLCMRWJO-CMPLNLGQSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000375702239 387570604 /nfs/dbraw/zinc/57/06/04/387570604.db2.gz BCPSPVCLCMRWJO-CMPLNLGQSA-N 1 2 221.304 1.329 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)N(C)C1CC1 ZINC000114927153 387573345 /nfs/dbraw/zinc/57/33/45/387573345.db2.gz BYNYHGBWJOLTET-UHFFFAOYSA-N 1 2 248.330 1.451 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cccnc1 ZINC000114188254 387575723 /nfs/dbraw/zinc/57/57/23/387575723.db2.gz IZLUUUQSAAIJFU-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccnc1 ZINC000114188254 387575728 /nfs/dbraw/zinc/57/57/28/387575728.db2.gz IZLUUUQSAAIJFU-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2cccnc2)n1 ZINC000424120557 387578515 /nfs/dbraw/zinc/57/85/15/387578515.db2.gz FCHXNTCRWKLIPT-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO c1cn(-c2ccc(NCc3[nH]cc[nH+]3)cc2)nn1 ZINC000126806540 387694576 /nfs/dbraw/zinc/69/45/76/387694576.db2.gz SLRWDYGAWWGCND-UHFFFAOYSA-N 1 2 240.270 1.603 20 0 BDADLO C[N@@H+](Cc1cn2cccnc2n1)Cc1ccc[nH]1 ZINC000356666120 387694442 /nfs/dbraw/zinc/69/44/42/387694442.db2.gz RUOHIJZEHJBYEX-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO C[N@H+](Cc1cn2cccnc2n1)Cc1ccc[nH]1 ZINC000356666120 387694451 /nfs/dbraw/zinc/69/44/51/387694451.db2.gz RUOHIJZEHJBYEX-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccnc(C)c2)CCO1 ZINC000527536337 387630987 /nfs/dbraw/zinc/63/09/87/387630987.db2.gz XMWWLFAQPUMXEG-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccnc(C)c2)CCO1 ZINC000527536337 387630993 /nfs/dbraw/zinc/63/09/93/387630993.db2.gz XMWWLFAQPUMXEG-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CC[C@]1(C)CC[N@H+](Cc2noc(COC)n2)C1 ZINC000356248979 387633266 /nfs/dbraw/zinc/63/32/66/387633266.db2.gz FGRILZOKWYYCSQ-GFCCVEGCSA-N 1 2 239.319 1.838 20 0 BDADLO CC[C@]1(C)CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000356248979 387633272 /nfs/dbraw/zinc/63/32/72/387633272.db2.gz FGRILZOKWYYCSQ-GFCCVEGCSA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)CC2(C)C)no1 ZINC000356261026 387634164 /nfs/dbraw/zinc/63/41/64/387634164.db2.gz VOGJHEWQSWWVDO-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)CC2(C)C)no1 ZINC000356261026 387634168 /nfs/dbraw/zinc/63/41/68/387634168.db2.gz VOGJHEWQSWWVDO-SECBINFHSA-N 1 2 239.319 1.836 20 0 BDADLO CCC[C@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)OCC ZINC000124855336 387634587 /nfs/dbraw/zinc/63/45/87/387634587.db2.gz IEQBFLDBSDHFDS-WCQYABFASA-N 1 2 243.347 1.877 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000376495501 387641425 /nfs/dbraw/zinc/64/14/25/387641425.db2.gz ORVOIUDFOKTKEZ-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000376495501 387641433 /nfs/dbraw/zinc/64/14/33/387641433.db2.gz ORVOIUDFOKTKEZ-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO c1nc2cnccn2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376495787 387643043 /nfs/dbraw/zinc/64/30/43/387643043.db2.gz QXCRZKTVPWHMEY-TXEJJXNPSA-N 1 2 244.298 1.093 20 0 BDADLO c1nc2cnccn2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376495787 387643047 /nfs/dbraw/zinc/64/30/47/387643047.db2.gz QXCRZKTVPWHMEY-TXEJJXNPSA-N 1 2 244.298 1.093 20 0 BDADLO CC[C@@H](NC(=O)c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000125317777 387651124 /nfs/dbraw/zinc/65/11/24/387651124.db2.gz FUIRJFNFNLOUKW-MRVPVSSYSA-N 1 2 218.260 1.619 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422750337 387655708 /nfs/dbraw/zinc/65/57/08/387655708.db2.gz CTWLYAKQRNDCEE-MCIONIFRSA-N 1 2 239.407 1.720 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363202577 387695531 /nfs/dbraw/zinc/69/55/31/387695531.db2.gz UMPMFNCKOASMNZ-NSHDSACASA-N 1 2 235.331 1.608 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376681144 387664217 /nfs/dbraw/zinc/66/42/17/387664217.db2.gz PUOUPDGDYBQBEB-VXGBXAGGSA-N 1 2 241.331 1.583 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376681144 387664224 /nfs/dbraw/zinc/66/42/24/387664224.db2.gz PUOUPDGDYBQBEB-VXGBXAGGSA-N 1 2 241.331 1.583 20 0 BDADLO CS[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC000356519736 387667205 /nfs/dbraw/zinc/66/72/05/387667205.db2.gz QTYNAUYSCNAQLN-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO C[C@@H]([NH2+]C1COC1)c1cn(-c2ccccc2)nn1 ZINC000376859470 387677346 /nfs/dbraw/zinc/67/73/46/387677346.db2.gz MJWLLAUPZMFGLZ-SNVBAGLBSA-N 1 2 244.298 1.317 20 0 BDADLO CCn1nncc1C[NH2+]Cc1ccc(Cl)o1 ZINC000527727737 387679870 /nfs/dbraw/zinc/67/98/70/387679870.db2.gz NRDBZILEUKHQEK-UHFFFAOYSA-N 1 2 240.694 1.834 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000376957747 387680732 /nfs/dbraw/zinc/68/07/32/387680732.db2.gz LSICWEGVVWOPJZ-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOC[C@@H]1C ZINC000362969429 387682517 /nfs/dbraw/zinc/68/25/17/387682517.db2.gz MGMFEXVPYLCPLB-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1ncccc1C[N@H+]1CCOC[C@@H]1C ZINC000362969429 387682520 /nfs/dbraw/zinc/68/25/20/387682520.db2.gz MGMFEXVPYLCPLB-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000422787046 387687025 /nfs/dbraw/zinc/68/70/25/387687025.db2.gz LOZNSJWVNYUVDX-XLDPMVHQSA-N 1 2 235.287 1.246 20 0 BDADLO CC[C@H](F)C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000440771598 387689922 /nfs/dbraw/zinc/68/99/22/387689922.db2.gz CRUXQEWCVLBOTH-ONGXEEELSA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@H](F)C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000440771598 387689927 /nfs/dbraw/zinc/68/99/27/387689927.db2.gz CRUXQEWCVLBOTH-ONGXEEELSA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@@H](F)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000440777043 387692572 /nfs/dbraw/zinc/69/25/72/387692572.db2.gz DYKHXUJLPAVNAN-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000440777043 387692576 /nfs/dbraw/zinc/69/25/76/387692576.db2.gz DYKHXUJLPAVNAN-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO COc1ccc[nH+]c1NCCCN1CCCC1=O ZINC000527822330 387746110 /nfs/dbraw/zinc/74/61/10/387746110.db2.gz PRBKTWSOFRBACC-UHFFFAOYSA-N 1 2 249.314 1.515 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCO[C@@H]2C[C@@H]21 ZINC000367776397 387750079 /nfs/dbraw/zinc/75/00/79/387750079.db2.gz FDIARJBZLPSDPY-WDEREUQCSA-N 1 2 221.304 1.437 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000367779947 387753034 /nfs/dbraw/zinc/75/30/34/387753034.db2.gz APJHCZUKUQJJHD-GHMZBOCLSA-N 1 2 225.288 1.688 20 0 BDADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000367779947 387753041 /nfs/dbraw/zinc/75/30/41/387753041.db2.gz APJHCZUKUQJJHD-GHMZBOCLSA-N 1 2 225.288 1.688 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@H](F)CC ZINC000440790664 387698202 /nfs/dbraw/zinc/69/82/02/387698202.db2.gz LSNTUVHBVXHRIQ-RKDXNWHRSA-N 1 2 205.273 1.618 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@H](F)CC ZINC000440790664 387698207 /nfs/dbraw/zinc/69/82/07/387698207.db2.gz LSNTUVHBVXHRIQ-RKDXNWHRSA-N 1 2 205.273 1.618 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[C@H]1C ZINC000431315370 387700775 /nfs/dbraw/zinc/70/07/75/387700775.db2.gz XXOLGVKDMAIXJE-KOLCDFICSA-N 1 2 249.314 1.688 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]12C[C@H]1COC2(C)C ZINC000527766144 387702761 /nfs/dbraw/zinc/70/27/61/387702761.db2.gz LLPLRGPAGNGZPJ-CMPLNLGQSA-N 1 2 221.304 1.375 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC[C@H](C)C1 ZINC000452062861 387718960 /nfs/dbraw/zinc/71/89/60/387718960.db2.gz UPUVIQASUFPJQA-LPEHRKFASA-N 1 2 238.335 1.815 20 0 BDADLO CSCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483360 387720154 /nfs/dbraw/zinc/72/01/54/387720154.db2.gz CARPVDBQNMPWHA-MRVPVSSYSA-N 1 2 242.348 1.053 20 0 BDADLO CSCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483360 387720160 /nfs/dbraw/zinc/72/01/60/387720160.db2.gz CARPVDBQNMPWHA-MRVPVSSYSA-N 1 2 242.348 1.053 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422844383 387731900 /nfs/dbraw/zinc/73/19/00/387731900.db2.gz LPJGQHVBZBFONR-SRVKXCTJSA-N 1 2 222.336 1.002 20 0 BDADLO CO[C@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)CC1 ZINC000367667433 387740096 /nfs/dbraw/zinc/74/00/96/387740096.db2.gz BALGRCRTCIXLBR-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)CC1 ZINC000367667433 387740101 /nfs/dbraw/zinc/74/01/01/387740101.db2.gz BALGRCRTCIXLBR-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO COCC[N@H+](CC(F)F)CC1(C)COC1 ZINC000441515768 387765017 /nfs/dbraw/zinc/76/50/17/387765017.db2.gz RYBFBFBHSDDOJI-UHFFFAOYSA-N 1 2 223.263 1.236 20 0 BDADLO COCC[N@@H+](CC(F)F)CC1(C)COC1 ZINC000441515768 387765022 /nfs/dbraw/zinc/76/50/22/387765022.db2.gz RYBFBFBHSDDOJI-UHFFFAOYSA-N 1 2 223.263 1.236 20 0 BDADLO COC(=O)C[NH+]1CC(Cc2cccc(F)c2)C1 ZINC000378323203 387776798 /nfs/dbraw/zinc/77/67/98/387776798.db2.gz IXYYRQFBXWLTMP-UHFFFAOYSA-N 1 2 237.274 1.473 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528775794 387778556 /nfs/dbraw/zinc/77/85/56/387778556.db2.gz ZJUBWTDHEDIIJC-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CCn1nncc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528775794 387778559 /nfs/dbraw/zinc/77/85/59/387778559.db2.gz ZJUBWTDHEDIIJC-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO COc1ccc[nH+]c1N(C)Cc1cnccn1 ZINC000527900477 387779550 /nfs/dbraw/zinc/77/95/50/387779550.db2.gz VXZJUAITPZUFQR-UHFFFAOYSA-N 1 2 230.271 1.517 20 0 BDADLO Cc1nnc(C[N@H+]2CCOC[C@@H](C)C2)s1 ZINC000378394423 387784414 /nfs/dbraw/zinc/78/44/14/387784414.db2.gz JQWQVFUQFWIKLK-QMMMGPOBSA-N 1 2 227.333 1.315 20 0 BDADLO Cc1nnc(C[N@@H+]2CCOC[C@@H](C)C2)s1 ZINC000378394423 387784416 /nfs/dbraw/zinc/78/44/16/387784416.db2.gz JQWQVFUQFWIKLK-QMMMGPOBSA-N 1 2 227.333 1.315 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000527913536 387786595 /nfs/dbraw/zinc/78/65/95/387786595.db2.gz OXFKQWDYSPMQAH-SECBINFHSA-N 1 2 247.298 1.265 20 0 BDADLO CSCC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000359895366 387790283 /nfs/dbraw/zinc/79/02/83/387790283.db2.gz HRVRQYCRWMLAJF-SECBINFHSA-N 1 2 239.344 1.447 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2[nH+]cccc2OC)C1 ZINC000527926608 387791604 /nfs/dbraw/zinc/79/16/04/387791604.db2.gz FEMFKBNKKSWJLE-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO CC(C)c1nc(N[C@@H]2C(=O)NCC[C@H]2C)cc[nH+]1 ZINC000193529228 387793927 /nfs/dbraw/zinc/79/39/27/387793927.db2.gz GKGBXCSMVFIKNJ-KOLCDFICSA-N 1 2 248.330 1.537 20 0 BDADLO COCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331824 387804912 /nfs/dbraw/zinc/80/49/12/387804912.db2.gz FHALPBQXNFGROK-UHFFFAOYSA-N 1 2 223.276 1.194 20 0 BDADLO Cc1ccc(CNc2cccc(CO)[nH+]2)cn1 ZINC000432747201 387811826 /nfs/dbraw/zinc/81/18/26/387811826.db2.gz IMKWTXIOAOJWNL-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1cccnc1 ZINC000054459187 387827835 /nfs/dbraw/zinc/82/78/35/387827835.db2.gz UZKFWHAJEMOTSF-SNVBAGLBSA-N 1 2 214.272 1.722 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@@H](C)C1 ZINC000528023730 387828971 /nfs/dbraw/zinc/82/89/71/387828971.db2.gz BDUCTVCSJPRZHK-VIFPVBQESA-N 1 2 208.261 1.315 20 0 BDADLO COc1ccc[nH+]c1NCCc1cnc(C)cn1 ZINC000528032601 387833074 /nfs/dbraw/zinc/83/30/74/387833074.db2.gz CZMUPPZQWBPZPG-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1ccc[nH+]c1NCc1nnc(C(C)C)[nH]1 ZINC000528031528 387833907 /nfs/dbraw/zinc/83/39/07/387833907.db2.gz VIJZNTUZCFYJGU-UHFFFAOYSA-N 1 2 247.302 1.944 20 0 BDADLO OC1(C(F)F)CC[NH+](Cc2cocn2)CC1 ZINC000432917394 387840268 /nfs/dbraw/zinc/84/02/68/387840268.db2.gz LBZZXXMYWMJHQH-UHFFFAOYSA-N 1 2 232.230 1.267 20 0 BDADLO CC(C)(C)CC[N@H+](CCO)CC(F)F ZINC000194860528 387840629 /nfs/dbraw/zinc/84/06/29/387840629.db2.gz JBBKHWPRTOERQQ-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CC(C)(C)CC[N@@H+](CCO)CC(F)F ZINC000194860528 387840631 /nfs/dbraw/zinc/84/06/31/387840631.db2.gz JBBKHWPRTOERQQ-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO Cc1cc(NCC[C@H]2CCCOC2)nc[nH+]1 ZINC000528072016 387842952 /nfs/dbraw/zinc/84/29/52/387842952.db2.gz GKKVJQSAAGHOMJ-LLVKDONJSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000075779094 387853519 /nfs/dbraw/zinc/85/35/19/387853519.db2.gz VBFYYIVFFWBZQM-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000075779094 387853525 /nfs/dbraw/zinc/85/35/25/387853525.db2.gz VBFYYIVFFWBZQM-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193675962 387861487 /nfs/dbraw/zinc/86/14/87/387861487.db2.gz HEWNKIHQLHBUMT-ZDUSSCGKSA-N 1 2 243.347 1.293 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193675962 387861491 /nfs/dbraw/zinc/86/14/91/387861491.db2.gz HEWNKIHQLHBUMT-ZDUSSCGKSA-N 1 2 243.347 1.293 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCCSC ZINC000452574765 387861679 /nfs/dbraw/zinc/86/16/79/387861679.db2.gz OWYQWFSDABDVBC-UHFFFAOYSA-N 1 2 241.360 1.662 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)no1 ZINC000236027896 387871122 /nfs/dbraw/zinc/87/11/22/387871122.db2.gz JRKUIBONNGPKFY-GXSJLCMTSA-N 1 2 223.276 1.035 20 0 BDADLO COc1ccc[nH+]c1NC[C@@]1(C)CCC(=O)N1 ZINC000528033270 387817654 /nfs/dbraw/zinc/81/76/54/387817654.db2.gz YNFPSCOOPIVBAG-GFCCVEGCSA-N 1 2 235.287 1.171 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC23CC(C2)CO3)[nH+]1 ZINC000528184489 387875664 /nfs/dbraw/zinc/87/56/64/387875664.db2.gz JHPXBEZXYYXIMX-UHFFFAOYSA-N 1 2 244.298 1.279 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1cc(C)ccc1F ZINC000444746162 387918468 /nfs/dbraw/zinc/91/84/68/387918468.db2.gz UWZZKFRVRNVZMO-LBPRGKRZSA-N 1 2 238.306 1.830 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cc(C)ccc1F ZINC000444746162 387918473 /nfs/dbraw/zinc/91/84/73/387918473.db2.gz UWZZKFRVRNVZMO-LBPRGKRZSA-N 1 2 238.306 1.830 20 0 BDADLO CCOCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000194988016 387902685 /nfs/dbraw/zinc/90/26/85/387902685.db2.gz RNTQCURJHBNTTR-LBPRGKRZSA-N 1 2 246.314 1.520 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H]1CCCC[C@H]1C ZINC000444663193 387903387 /nfs/dbraw/zinc/90/33/87/387903387.db2.gz YAKHZJMQUJCBSP-NXEZZACHSA-N 1 2 238.335 1.911 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000195095494 387904449 /nfs/dbraw/zinc/90/44/49/387904449.db2.gz ZDSVVSLKAFIWOZ-LBPRGKRZSA-N 1 2 245.330 1.523 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000195095494 387904455 /nfs/dbraw/zinc/90/44/55/387904455.db2.gz ZDSVVSLKAFIWOZ-LBPRGKRZSA-N 1 2 245.330 1.523 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1(C)CCC1 ZINC000176975195 387914866 /nfs/dbraw/zinc/91/48/66/387914866.db2.gz DLINMYWMCHPDAG-UHFFFAOYSA-N 1 2 231.303 1.965 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC23CCC3)[nH]1 ZINC000444783342 387929431 /nfs/dbraw/zinc/92/94/31/387929431.db2.gz SMTLHYNJXONUKC-UHFFFAOYSA-N 1 2 208.265 1.029 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC23CCC3)[nH]1 ZINC000444783342 387929435 /nfs/dbraw/zinc/92/94/35/387929435.db2.gz SMTLHYNJXONUKC-UHFFFAOYSA-N 1 2 208.265 1.029 20 0 BDADLO Cn1nncc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424208631 387930215 /nfs/dbraw/zinc/93/02/15/387930215.db2.gz YIBNVZMECBQRSO-STQMWFEESA-N 1 2 246.289 1.542 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@H](C)[C@H](C)O1 ZINC000438371549 387931193 /nfs/dbraw/zinc/93/11/93/387931193.db2.gz KLNNCJGMNVOCQL-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@H](C)[C@H](C)O1 ZINC000438371549 387931195 /nfs/dbraw/zinc/93/11/95/387931195.db2.gz KLNNCJGMNVOCQL-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO CCOc1cc(N2CC(n3cc[nH+]c3)C2)ncn1 ZINC000533002640 387920996 /nfs/dbraw/zinc/92/09/96/387920996.db2.gz HBLNSYUTROXADA-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)CC1(O)CCCC1 ZINC000450609278 387942240 /nfs/dbraw/zinc/94/22/40/387942240.db2.gz DMPDYDYNSUQHBE-VIFPVBQESA-N 1 2 241.360 1.836 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)CC1(O)CCCC1 ZINC000450609278 387942242 /nfs/dbraw/zinc/94/22/42/387942242.db2.gz DMPDYDYNSUQHBE-VIFPVBQESA-N 1 2 241.360 1.836 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245470546 387949327 /nfs/dbraw/zinc/94/93/27/387949327.db2.gz WMTOJVDOCLJBCS-ITGUQSILSA-N 1 2 247.342 1.826 20 0 BDADLO c1c[nH]c([C@H]([NH2+]C2CC2)c2cccnc2)n1 ZINC000194957747 387949904 /nfs/dbraw/zinc/94/99/04/387949904.db2.gz CVLXOQKVNODKPJ-LLVKDONJSA-N 1 2 214.272 1.646 20 0 BDADLO C[N@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000450354320 387958267 /nfs/dbraw/zinc/95/82/67/387958267.db2.gz KVFJASDPRKYKFK-UHFFFAOYSA-N 1 2 205.248 1.943 20 0 BDADLO C[N@@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000450354320 387958270 /nfs/dbraw/zinc/95/82/70/387958270.db2.gz KVFJASDPRKYKFK-UHFFFAOYSA-N 1 2 205.248 1.943 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncs2)[C@@H](C)CO1 ZINC000245546135 387959576 /nfs/dbraw/zinc/95/95/76/387959576.db2.gz UWGTUBQIBVQNNQ-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncs2)[C@@H](C)CO1 ZINC000245546135 387959579 /nfs/dbraw/zinc/95/95/79/387959579.db2.gz UWGTUBQIBVQNNQ-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO O=C(COc1ccccc1)NCCc1[nH]cc[nH+]1 ZINC000158616305 387960602 /nfs/dbraw/zinc/96/06/02/387960602.db2.gz BOCKLQSTBJZCOB-UHFFFAOYSA-N 1 2 245.282 1.147 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C)[C@H]1C ZINC000446060418 387987755 /nfs/dbraw/zinc/98/77/55/387987755.db2.gz IJVHSMQXUUJZOK-IJLUTSLNSA-N 1 2 242.363 1.351 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C)[C@H]1C ZINC000446060418 387987759 /nfs/dbraw/zinc/98/77/59/387987759.db2.gz IJVHSMQXUUJZOK-IJLUTSLNSA-N 1 2 242.363 1.351 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@H](C)[C@@H](C)O1 ZINC000446065741 387988959 /nfs/dbraw/zinc/98/89/59/387988959.db2.gz CCKGUPJXLDTBBP-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@H](C)[C@@H](C)O1 ZINC000446065741 387988961 /nfs/dbraw/zinc/98/89/61/387988961.db2.gz CCKGUPJXLDTBBP-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1ncco1 ZINC000446063837 387990627 /nfs/dbraw/zinc/99/06/27/387990627.db2.gz SVYCHVOQCXPLQT-SECBINFHSA-N 1 2 228.317 1.487 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1ncco1 ZINC000446063837 387990630 /nfs/dbraw/zinc/99/06/30/387990630.db2.gz SVYCHVOQCXPLQT-SECBINFHSA-N 1 2 228.317 1.487 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446071280 387991666 /nfs/dbraw/zinc/99/16/66/387991666.db2.gz JCFQXWIAZZVFDK-TUAOUCFPSA-N 1 2 242.363 1.353 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446071280 387991671 /nfs/dbraw/zinc/99/16/71/387991671.db2.gz JCFQXWIAZZVFDK-TUAOUCFPSA-N 1 2 242.363 1.353 20 0 BDADLO Cn1c[nH+]cc1COc1cccc(CC(N)=O)c1 ZINC000439559045 388010036 /nfs/dbraw/zinc/01/00/36/388010036.db2.gz AOCQYAVYCMZURF-UHFFFAOYSA-N 1 2 245.282 1.027 20 0 BDADLO Cc1cccc(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000082305674 388025612 /nfs/dbraw/zinc/02/56/12/388025612.db2.gz BJBGHDTXYQTGOK-UHFFFAOYSA-N 1 2 229.283 1.508 20 0 BDADLO OC1(C2CC2)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000439658815 388013464 /nfs/dbraw/zinc/01/34/64/388013464.db2.gz BWKMQIQJRCLDLM-UHFFFAOYSA-N 1 2 231.299 1.315 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)co1 ZINC000188012195 177787775 /nfs/dbraw/zinc/78/77/75/177787775.db2.gz BQJXRPITVJDDJT-UHFFFAOYSA-N 1 2 219.244 1.215 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000082619007 388036749 /nfs/dbraw/zinc/03/67/49/388036749.db2.gz PXNCJBGBMBGYBQ-MRVPVSSYSA-N 1 2 219.292 1.302 20 0 BDADLO Cn1nnc(C[N@H+](C)[C@H]2CCC(C)(C)C2)n1 ZINC000440536487 388050923 /nfs/dbraw/zinc/05/09/23/388050923.db2.gz UGEFLZFBUAFKMF-VIFPVBQESA-N 1 2 223.324 1.221 20 0 BDADLO Cn1nnc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)n1 ZINC000440536487 388050927 /nfs/dbraw/zinc/05/09/27/388050927.db2.gz UGEFLZFBUAFKMF-VIFPVBQESA-N 1 2 223.324 1.221 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000440693596 388066516 /nfs/dbraw/zinc/06/65/16/388066516.db2.gz ORAHMOTUSZFXTL-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000440693596 388066518 /nfs/dbraw/zinc/06/65/18/388066518.db2.gz ORAHMOTUSZFXTL-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000440693599 388066641 /nfs/dbraw/zinc/06/66/41/388066641.db2.gz ORAHMOTUSZFXTL-ZJUUUORDSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCCC[C@H]1C(=O)OC ZINC000440693599 388066644 /nfs/dbraw/zinc/06/66/44/388066644.db2.gz ORAHMOTUSZFXTL-ZJUUUORDSA-N 1 2 217.284 1.762 20 0 BDADLO CCc1cncc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000447462207 388072078 /nfs/dbraw/zinc/07/20/78/388072078.db2.gz OWVFAGYPCWXSKQ-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO Cc1nc(N2CC(=O)N(C3CC3)C2)c(C)c(C)[nH+]1 ZINC000447816886 388095252 /nfs/dbraw/zinc/09/52/52/388095252.db2.gz NGDFVXGARMLOPV-UHFFFAOYSA-N 1 2 246.314 1.170 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447834078 388097136 /nfs/dbraw/zinc/09/71/36/388097136.db2.gz KFJCSILLRUKGMX-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447834078 388097138 /nfs/dbraw/zinc/09/71/38/388097138.db2.gz KFJCSILLRUKGMX-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CCCC[N@H+](C)Cc1ncnn1CCC ZINC000447857159 388098165 /nfs/dbraw/zinc/09/81/65/388098165.db2.gz VLDIWRUHANTPCG-UHFFFAOYSA-N 1 2 210.325 1.920 20 0 BDADLO CCCC[N@@H+](C)Cc1ncnn1CCC ZINC000447857159 388098168 /nfs/dbraw/zinc/09/81/68/388098168.db2.gz VLDIWRUHANTPCG-UHFFFAOYSA-N 1 2 210.325 1.920 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000170764821 388100057 /nfs/dbraw/zinc/10/00/57/388100057.db2.gz RFWBZQUUBMUZQW-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCCO[C@H](C)C2)o1 ZINC000170764821 388100059 /nfs/dbraw/zinc/10/00/59/388100059.db2.gz RFWBZQUUBMUZQW-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO CC[C@@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000454189736 388106120 /nfs/dbraw/zinc/10/61/20/388106120.db2.gz PSYGONLTFYVHEO-SECBINFHSA-N 1 2 224.308 1.501 20 0 BDADLO Cc1ccc(NC(=O)c2cnccn2)c(C)[nH+]1 ZINC000119167693 388107221 /nfs/dbraw/zinc/10/72/21/388107221.db2.gz HYIHVLILWJOLMQ-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000440503278 388046576 /nfs/dbraw/zinc/04/65/76/388046576.db2.gz TWOCANXLGLPRIM-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000440503278 388046579 /nfs/dbraw/zinc/04/65/79/388046579.db2.gz TWOCANXLGLPRIM-ONGXEEELSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](F)C[N@H+](CCO)Cc1ccnn1CC ZINC000440516928 388048662 /nfs/dbraw/zinc/04/86/62/388048662.db2.gz HNEHZBRILZXKGE-LLVKDONJSA-N 1 2 243.326 1.445 20 0 BDADLO CC[C@@H](F)C[N@@H+](CCO)Cc1ccnn1CC ZINC000440516928 388048663 /nfs/dbraw/zinc/04/86/63/388048663.db2.gz HNEHZBRILZXKGE-LLVKDONJSA-N 1 2 243.326 1.445 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000440512740 388049946 /nfs/dbraw/zinc/04/99/46/388049946.db2.gz IONLZUMBLHVHFM-AXFHLTTASA-N 1 2 247.310 1.387 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000440512740 388049950 /nfs/dbraw/zinc/04/99/50/388049950.db2.gz IONLZUMBLHVHFM-AXFHLTTASA-N 1 2 247.310 1.387 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000646142600 388155517 /nfs/dbraw/zinc/15/55/17/388155517.db2.gz SAWXIAZIRYVCME-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000646142600 388155519 /nfs/dbraw/zinc/15/55/19/388155519.db2.gz SAWXIAZIRYVCME-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO Cc1cccc(CC[NH2+]CC(F)(F)CO)c1 ZINC000449249149 388162832 /nfs/dbraw/zinc/16/28/32/388162832.db2.gz KTMDXHIZZZEQKC-UHFFFAOYSA-N 1 2 229.270 1.755 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@H+](Cc2nnn(C)n2)C1 ZINC000449271300 388165554 /nfs/dbraw/zinc/16/55/54/388165554.db2.gz OIVOINFIIALSGZ-VHSXEESVSA-N 1 2 223.324 1.221 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2nnn(C)n2)C1 ZINC000449271300 388165555 /nfs/dbraw/zinc/16/55/55/388165555.db2.gz OIVOINFIIALSGZ-VHSXEESVSA-N 1 2 223.324 1.221 20 0 BDADLO CCC[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259300 388171615 /nfs/dbraw/zinc/17/16/15/388171615.db2.gz UXDPUQXRYMYGKT-SECBINFHSA-N 1 2 221.304 1.731 20 0 BDADLO CCC[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259300 388171618 /nfs/dbraw/zinc/17/16/18/388171618.db2.gz UXDPUQXRYMYGKT-SECBINFHSA-N 1 2 221.304 1.731 20 0 BDADLO COc1nccnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000449315764 388171748 /nfs/dbraw/zinc/17/17/48/388171748.db2.gz JQXIWNWXZWUMSU-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1nccnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000449315764 388171751 /nfs/dbraw/zinc/17/17/51/388171751.db2.gz JQXIWNWXZWUMSU-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO CC(C)CCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258354 388172168 /nfs/dbraw/zinc/17/21/68/388172168.db2.gz RXHVXGMQRRTWDW-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO CC(C)CCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258354 388172170 /nfs/dbraw/zinc/17/21/70/388172170.db2.gz RXHVXGMQRRTWDW-UHFFFAOYSA-N 1 2 221.304 1.731 20 0 BDADLO COCCOCC[N@H+](C)Cc1ccncc1F ZINC000449329835 388174214 /nfs/dbraw/zinc/17/42/14/388174214.db2.gz PXQBQQHDKPJXIL-UHFFFAOYSA-N 1 2 242.294 1.316 20 0 BDADLO COCCOCC[N@@H+](C)Cc1ccncc1F ZINC000449329835 388174216 /nfs/dbraw/zinc/17/42/16/388174216.db2.gz PXQBQQHDKPJXIL-UHFFFAOYSA-N 1 2 242.294 1.316 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456105401 388177835 /nfs/dbraw/zinc/17/78/35/388177835.db2.gz UICBEEDGVIROJP-UMBAGQNISA-N 1 2 233.315 1.912 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000456105401 388177837 /nfs/dbraw/zinc/17/78/37/388177837.db2.gz UICBEEDGVIROJP-UMBAGQNISA-N 1 2 233.315 1.912 20 0 BDADLO CC(C)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202803 388184582 /nfs/dbraw/zinc/18/45/82/388184582.db2.gz DMPMXTZATPYRAK-TXEJJXNPSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202803 388184583 /nfs/dbraw/zinc/18/45/83/388184583.db2.gz DMPMXTZATPYRAK-TXEJJXNPSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H](C)O ZINC000456206094 388184646 /nfs/dbraw/zinc/18/46/46/388184646.db2.gz GHKAYTZEIKSFSD-MWLCHTKSSA-N 1 2 247.298 1.224 20 0 BDADLO FCC(CF)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000449372405 388185003 /nfs/dbraw/zinc/18/50/03/388185003.db2.gz HNNUHHKXPAUJGA-UHFFFAOYSA-N 1 2 243.253 1.855 20 0 BDADLO CC/C=C\CNC(=O)NCc1c[nH+]ccc1OC ZINC000454984171 388144028 /nfs/dbraw/zinc/14/40/28/388144028.db2.gz DGFZUYLOIMEWCR-PLNGDYQASA-N 1 2 249.314 1.856 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CN(C)C(=O)[C@@H]1C ZINC000646123596 388146805 /nfs/dbraw/zinc/14/68/05/388146805.db2.gz CAZMUSOKLDFRCU-JTQLQIEISA-N 1 2 236.319 1.084 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C)CC2(CCCC2)O1 ZINC000646132959 388151456 /nfs/dbraw/zinc/15/14/56/388151456.db2.gz KECOFEKABWNROL-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C)CC2(CCCC2)O1 ZINC000646132959 388151458 /nfs/dbraw/zinc/15/14/58/388151458.db2.gz KECOFEKABWNROL-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO CCC(C)(C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449654562 388248754 /nfs/dbraw/zinc/24/87/54/388248754.db2.gz WGNMXEVWAQTEIQ-VIFPVBQESA-N 1 2 248.317 1.784 20 0 BDADLO Cn1cnnc1C[N@H+](C)CC1=CCCC1 ZINC000645916231 388252685 /nfs/dbraw/zinc/25/26/85/388252685.db2.gz PCBUTYRPGGNURD-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CC1=CCCC1 ZINC000645916231 388252687 /nfs/dbraw/zinc/25/26/87/388252687.db2.gz PCBUTYRPGGNURD-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO Cc1ccc(O)c(C[NH2+]C(CF)CF)n1 ZINC000449381252 388189219 /nfs/dbraw/zinc/18/92/19/388189219.db2.gz REVJHLKWEYYVIE-UHFFFAOYSA-N 1 2 216.231 1.493 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C)CC1 ZINC000456365666 388197658 /nfs/dbraw/zinc/19/76/58/388197658.db2.gz WBHFROOAAIFOOM-VIFPVBQESA-N 1 2 221.304 1.880 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccn1C ZINC000456374246 388197821 /nfs/dbraw/zinc/19/78/21/388197821.db2.gz GHLRSEZBQHJUCO-JTQLQIEISA-N 1 2 246.314 1.733 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](O)C(C)C ZINC000456365632 388197976 /nfs/dbraw/zinc/19/79/76/388197976.db2.gz VZJVEHNJTXHCFA-VHSXEESVSA-N 1 2 239.319 1.097 20 0 BDADLO C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)C(C)(F)F ZINC000449412090 388198292 /nfs/dbraw/zinc/19/82/92/388198292.db2.gz DRGDRWYOYFVNLX-QMMMGPOBSA-N 1 2 244.289 1.676 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C)n[nH]1 ZINC000456384792 388198402 /nfs/dbraw/zinc/19/84/02/388198402.db2.gz LVLRSIWQNGZCNW-SECBINFHSA-N 1 2 247.302 1.426 20 0 BDADLO CCCc1ncc(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000456499546 388205007 /nfs/dbraw/zinc/20/50/07/388205007.db2.gz IISPESLXRNRKKA-UHFFFAOYSA-N 1 2 248.286 1.589 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456863581 388228038 /nfs/dbraw/zinc/22/80/38/388228038.db2.gz RGXUQIKXXJPPST-OLZOCXBDSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1nc(N2CC[C@H](C(C)C)C2)nc(N(C)C)[nH+]1 ZINC000490078744 388234588 /nfs/dbraw/zinc/23/45/88/388234588.db2.gz IOHDNHLEJHCWFV-NSHDSACASA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H](C(C)C)C2)[nH+]1 ZINC000490078744 388234590 /nfs/dbraw/zinc/23/45/90/388234590.db2.gz IOHDNHLEJHCWFV-NSHDSACASA-N 1 2 249.362 1.728 20 0 BDADLO CC[C@@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000490091597 388234892 /nfs/dbraw/zinc/23/48/92/388234892.db2.gz MDIDHQOBVZSLLU-CQSZACIVSA-N 1 2 243.310 1.981 20 0 BDADLO C[C@@H]1C[N@H+](CCCc2ccsc2)CC(=O)N1 ZINC000451644664 388287114 /nfs/dbraw/zinc/28/71/14/388287114.db2.gz YNMNCABGJGSMCU-SNVBAGLBSA-N 1 2 238.356 1.501 20 0 BDADLO C[C@@H]1C[N@@H+](CCCc2ccsc2)CC(=O)N1 ZINC000451644664 388287116 /nfs/dbraw/zinc/28/71/16/388287116.db2.gz YNMNCABGJGSMCU-SNVBAGLBSA-N 1 2 238.356 1.501 20 0 BDADLO CCCc1nc(C[NH2+][C@@H]2COCC2(C)C)no1 ZINC000451814369 388298308 /nfs/dbraw/zinc/29/83/08/388298308.db2.gz XCAQWXWDSVWJBU-SECBINFHSA-N 1 2 239.319 1.537 20 0 BDADLO CCNC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451827648 388298795 /nfs/dbraw/zinc/29/87/95/388298795.db2.gz AGXBFWJDRHCHOM-ZDUSSCGKSA-N 1 2 248.326 1.943 20 0 BDADLO CCNC(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451827648 388298797 /nfs/dbraw/zinc/29/87/97/388298797.db2.gz AGXBFWJDRHCHOM-ZDUSSCGKSA-N 1 2 248.326 1.943 20 0 BDADLO CCC[C@H](O)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000451839928 388299588 /nfs/dbraw/zinc/29/95/88/388299588.db2.gz SDRDUXZESJOZFO-IUCAKERBSA-N 1 2 225.279 1.095 20 0 BDADLO CCC[C@H](O)C[N@H+](CC(F)F)C[C@H](C)O ZINC000451839928 388299589 /nfs/dbraw/zinc/29/95/89/388299589.db2.gz SDRDUXZESJOZFO-IUCAKERBSA-N 1 2 225.279 1.095 20 0 BDADLO C[C@@H](O)C[N@H+](CC[C@@H](C)F)CC(F)F ZINC000451834513 388299687 /nfs/dbraw/zinc/29/96/87/388299687.db2.gz NTOJIIIAYMMJIT-HTQZYQBOSA-N 1 2 213.243 1.682 20 0 BDADLO C[C@@H](O)C[N@@H+](CC[C@@H](C)F)CC(F)F ZINC000451834513 388299688 /nfs/dbraw/zinc/29/96/88/388299688.db2.gz NTOJIIIAYMMJIT-HTQZYQBOSA-N 1 2 213.243 1.682 20 0 BDADLO CC[C@@H](C)N1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000451850751 388301382 /nfs/dbraw/zinc/30/13/82/388301382.db2.gz XVICFNYGIPHGNN-VXGBXAGGSA-N 1 2 246.420 1.126 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\C1CCC1 ZINC000492050078 388332850 /nfs/dbraw/zinc/33/28/50/388332850.db2.gz OZJHXFLIRALGDZ-WAYWQWQTSA-N 1 2 219.288 1.724 20 0 BDADLO O=C(/C=C\c1cncc(F)c1)NCc1[nH]cc[nH+]1 ZINC000491895576 388326705 /nfs/dbraw/zinc/32/67/05/388326705.db2.gz PRJPZRSPTSCUMN-UPHRSURJSA-N 1 2 246.245 1.273 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1ccc[nH]1 ZINC000491950906 388329499 /nfs/dbraw/zinc/32/94/99/388329499.db2.gz DLCQJPBXNSEAOH-PLNGDYQASA-N 1 2 227.267 1.792 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccc[nH]1 ZINC000491971868 388330260 /nfs/dbraw/zinc/33/02/60/388330260.db2.gz IHKUNTVTQZZUKG-SNAWJCMRSA-N 1 2 230.271 1.410 20 0 BDADLO COC(=O)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451487536 388277577 /nfs/dbraw/zinc/27/75/77/388277577.db2.gz BVFNXTSMPBSTCV-VHSXEESVSA-N 1 2 229.320 1.341 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC1(COC)CC1 ZINC000492409882 388343854 /nfs/dbraw/zinc/34/38/54/388343854.db2.gz QKMFJOBYSUAHRW-PLNGDYQASA-N 1 2 249.314 1.211 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)OCC1CC1)c1[nH]cc[nH+]1 ZINC000646365981 388345761 /nfs/dbraw/zinc/34/57/61/388345761.db2.gz RGFPRJKXQSOVHF-BDAKNGLRSA-N 1 2 237.303 1.402 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cccc(Cl)c2)n1 ZINC000289928524 388364191 /nfs/dbraw/zinc/36/41/91/388364191.db2.gz AGGWZYUPTMAVIX-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO COc1ccc2[nH+]c(NCCO)ccc2c1 ZINC000193515929 388364526 /nfs/dbraw/zinc/36/45/26/388364526.db2.gz IGAYFTRXOPHNMX-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO CSCCCNc1nc[nH+]c(N)c1Cl ZINC000235045548 388364538 /nfs/dbraw/zinc/36/45/38/388364538.db2.gz SHBTYFDDNRYHEQ-UHFFFAOYSA-N 1 2 232.740 1.877 20 0 BDADLO CSCCCNc1[nH+]cnc(N)c1Cl ZINC000235045548 388364541 /nfs/dbraw/zinc/36/45/41/388364541.db2.gz SHBTYFDDNRYHEQ-UHFFFAOYSA-N 1 2 232.740 1.877 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000235139578 388365433 /nfs/dbraw/zinc/36/54/33/388365433.db2.gz QQWJUXWEQQBPTR-NTSWFWBYSA-N 1 2 230.699 1.141 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000235139578 388365435 /nfs/dbraw/zinc/36/54/35/388365435.db2.gz QQWJUXWEQQBPTR-NTSWFWBYSA-N 1 2 230.699 1.141 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1Cl ZINC000236390164 388379577 /nfs/dbraw/zinc/37/95/77/388379577.db2.gz JWIUQFPXCNYSKA-QYNIQEEDSA-N 1 2 240.694 1.444 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1Cl ZINC000236390164 388379578 /nfs/dbraw/zinc/37/95/78/388379578.db2.gz JWIUQFPXCNYSKA-QYNIQEEDSA-N 1 2 240.694 1.444 20 0 BDADLO CC[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000292400936 388380073 /nfs/dbraw/zinc/38/00/73/388380073.db2.gz UXAPRQXEFSGYQA-VIFPVBQESA-N 1 2 207.277 1.537 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000163601723 388382470 /nfs/dbraw/zinc/38/24/70/388382470.db2.gz SNDHVCCKCMFTQS-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000163601723 388382473 /nfs/dbraw/zinc/38/24/73/388382473.db2.gz SNDHVCCKCMFTQS-GFCCVEGCSA-N 1 2 238.335 1.035 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000236934553 388386549 /nfs/dbraw/zinc/38/65/49/388386549.db2.gz UPQHAKYKEQNQCW-NWDGAFQWSA-N 1 2 248.326 1.536 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000236934698 388386739 /nfs/dbraw/zinc/38/67/39/388386739.db2.gz NAQNLYGGMDVZJG-HBNTYKKESA-N 1 2 242.363 1.434 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1c(C)noc1C ZINC000165414422 388401612 /nfs/dbraw/zinc/40/16/12/388401612.db2.gz NAAYMTOYKWYHQZ-UHFFFAOYSA-N 1 2 240.303 1.375 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/C1CCC1 ZINC000492080662 388334107 /nfs/dbraw/zinc/33/41/07/388334107.db2.gz DBJLVGMLAJECJH-MVIFTORASA-N 1 2 233.315 1.744 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCCC1 ZINC000492256522 388339416 /nfs/dbraw/zinc/33/94/16/388339416.db2.gz BPFJJZTVTKYOKL-SREVYHEPSA-N 1 2 233.315 1.929 20 0 BDADLO O=C(C=Cc1ccsc1)Nc1cc[nH+]cc1O ZINC000492273508 388339962 /nfs/dbraw/zinc/33/99/62/388339962.db2.gz PDTIVEZZNQKXGP-OWOJBTEDSA-N 1 2 246.291 1.923 20 0 BDADLO CC[N@H+](CC1(F)CC1)[C@H](C)CS(C)(=O)=O ZINC000525978699 388441723 /nfs/dbraw/zinc/44/17/23/388441723.db2.gz UGMPTJSBTCDTPS-SECBINFHSA-N 1 2 237.340 1.244 20 0 BDADLO CC[N@@H+](CC1(F)CC1)[C@H](C)CS(C)(=O)=O ZINC000525978699 388441725 /nfs/dbraw/zinc/44/17/25/388441725.db2.gz UGMPTJSBTCDTPS-SECBINFHSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@H]1C[N@H+](CC2(F)CC2)CC[S@](=O)C1 ZINC000526001504 388454183 /nfs/dbraw/zinc/45/41/83/388454183.db2.gz TXFQYBPPBLONID-XPTSAGLGSA-N 1 2 219.325 1.189 20 0 BDADLO C[C@H]1C[N@@H+](CC2(F)CC2)CC[S@](=O)C1 ZINC000526001504 388454184 /nfs/dbraw/zinc/45/41/84/388454184.db2.gz TXFQYBPPBLONID-XPTSAGLGSA-N 1 2 219.325 1.189 20 0 BDADLO C[C@H](C[NH2+]Cc1ccn[nH]1)c1nccs1 ZINC000134988192 388481061 /nfs/dbraw/zinc/48/10/61/388481061.db2.gz RXYNKQJLCZBDRN-MRVPVSSYSA-N 1 2 222.317 1.760 20 0 BDADLO CN(CC[NH+]1CCOCC1)C(=O)CC(C)(C)C ZINC000074917117 388461877 /nfs/dbraw/zinc/46/18/77/388461877.db2.gz ALBQWBQEKSHKHA-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO Cc1cc(N[C@H]2CC[C@H](CO)CC2)nc[nH+]1 ZINC000309842470 388466573 /nfs/dbraw/zinc/46/65/73/388466573.db2.gz DZTKUUPHZLQNMF-XYPYZODXSA-N 1 2 221.304 1.748 20 0 BDADLO c1cn(CCNc2ccnc3cccnc32)c[nH+]1 ZINC000338636386 388475881 /nfs/dbraw/zinc/47/58/81/388475881.db2.gz GUIGETKMTAXYDV-UHFFFAOYSA-N 1 2 239.282 1.360 20 0 BDADLO CC[C@@H](C)CCC(=O)NCCc1c[nH+]cn1C ZINC000575975822 388476009 /nfs/dbraw/zinc/47/60/09/388476009.db2.gz DMTWGUOKZIJMSX-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC000295076895 388408189 /nfs/dbraw/zinc/40/81/89/388408189.db2.gz XCLBHZCFKSMHLY-SNAWJCMRSA-N 1 2 217.276 1.741 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1ncc(Cl)n1C ZINC000288394206 388410237 /nfs/dbraw/zinc/41/02/37/388410237.db2.gz HJIYEJUIRROLBD-LURJTMIESA-N 1 2 205.664 1.521 20 0 BDADLO COc1cc(CNc2cc[nH+]c(C)n2)ccc1O ZINC000525193987 388419560 /nfs/dbraw/zinc/41/95/60/388419560.db2.gz KHBVANKAAJEMCJ-UHFFFAOYSA-N 1 2 245.282 1.533 20 0 BDADLO CCc1cnc(C[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000525275240 388423649 /nfs/dbraw/zinc/42/36/49/388423649.db2.gz ZBVLVPMUBFVADP-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000525275240 388423650 /nfs/dbraw/zinc/42/36/50/388423650.db2.gz ZBVLVPMUBFVADP-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO Cc1cc(NCCc2ncccc2C)nc[nH+]1 ZINC000404684763 388429340 /nfs/dbraw/zinc/42/93/40/388429340.db2.gz KSMZWMLROGZRAP-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO C/C(Cl)=C/C[N@H+](C1CC1)C1COC1 ZINC000528514680 388540306 /nfs/dbraw/zinc/54/03/06/388540306.db2.gz YYYJUJCIQVDJAP-YWEYNIOJSA-N 1 2 201.697 1.992 20 0 BDADLO C/C(Cl)=C/C[N@@H+](C1CC1)C1COC1 ZINC000528514680 388540307 /nfs/dbraw/zinc/54/03/07/388540307.db2.gz YYYJUJCIQVDJAP-YWEYNIOJSA-N 1 2 201.697 1.992 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CC(C)(C)C1 ZINC000528527369 388544315 /nfs/dbraw/zinc/54/43/15/388544315.db2.gz NPMJLNATTXAMOI-UHFFFAOYSA-N 1 2 225.292 1.643 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CC(C)(C)C1 ZINC000528527369 388544317 /nfs/dbraw/zinc/54/43/17/388544317.db2.gz NPMJLNATTXAMOI-UHFFFAOYSA-N 1 2 225.292 1.643 20 0 BDADLO CCCC[C@@H]([NH2+]CC1(C)COC1)C(=O)OC ZINC000135219253 388485305 /nfs/dbraw/zinc/48/53/05/388485305.db2.gz JQROEANOIPHHTN-SNVBAGLBSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1nocc1C[NH2+]Cc1ccccn1 ZINC000378732258 388489314 /nfs/dbraw/zinc/48/93/14/388489314.db2.gz DQYAEYIBYATZCZ-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO Cc1cc(NCc2cnnn2C)nc(C(C)C)[nH+]1 ZINC000340977200 388493814 /nfs/dbraw/zinc/49/38/14/388493814.db2.gz ODQGBPCGSBNNOA-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135658316 388504342 /nfs/dbraw/zinc/50/43/42/388504342.db2.gz SNJHWXCZUUDPEZ-CYBMUJFWSA-N 1 2 242.363 1.356 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135658316 388504343 /nfs/dbraw/zinc/50/43/43/388504343.db2.gz SNJHWXCZUUDPEZ-CYBMUJFWSA-N 1 2 242.363 1.356 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528509717 388505789 /nfs/dbraw/zinc/50/57/89/388505789.db2.gz UPLFTUPKDIXXPE-SSDOTTSWSA-N 1 2 227.333 1.228 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528509717 388505791 /nfs/dbraw/zinc/50/57/91/388505791.db2.gz UPLFTUPKDIXXPE-SSDOTTSWSA-N 1 2 227.333 1.228 20 0 BDADLO C[C@@H](CC(=O)Nc1cnn(C)c1)n1cc[nH+]c1 ZINC000516870897 256804692 /nfs/dbraw/zinc/80/46/92/256804692.db2.gz QUVUQVWCFMIDKH-VIFPVBQESA-N 1 2 233.275 1.206 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CCCC2 ZINC000516674712 388513626 /nfs/dbraw/zinc/51/36/26/388513626.db2.gz XSMBAKPGKJLZQZ-LLVKDONJSA-N 1 2 233.315 1.412 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000345830903 388517564 /nfs/dbraw/zinc/51/75/64/388517564.db2.gz JWLZVWKIODTSOD-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000345830903 388517565 /nfs/dbraw/zinc/51/75/65/388517565.db2.gz JWLZVWKIODTSOD-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cocn1 ZINC000346846944 388520365 /nfs/dbraw/zinc/52/03/65/388520365.db2.gz FCOKTMACXWWOQY-LLVKDONJSA-N 1 2 232.287 1.575 20 0 BDADLO CCC(CC)CNC(=O)Cc1c[nH+]cn1C ZINC000548194873 388520594 /nfs/dbraw/zinc/52/05/94/388520594.db2.gz UPWATRVSTYRBRR-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)C ZINC000548295916 388525855 /nfs/dbraw/zinc/52/58/55/388525855.db2.gz KCUZXOQUAUSRKO-QMMMGPOBSA-N 1 2 210.281 1.235 20 0 BDADLO C/C(Cl)=C\C[NH2+][C@H](C)c1nncn1C ZINC000528442645 388526733 /nfs/dbraw/zinc/52/67/33/388526733.db2.gz FEDOGUUSHNLOGW-RXLGXGPVSA-N 1 2 214.700 1.608 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cn[nH]c1 ZINC000528445465 388527939 /nfs/dbraw/zinc/52/79/39/388527939.db2.gz FIKZGTPALBPHPY-ZETCQYMHSA-N 1 2 249.343 1.989 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000528453476 388528736 /nfs/dbraw/zinc/52/87/36/388528736.db2.gz OGFKLFODONGZCQ-ACHGEACHSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000528453476 388528738 /nfs/dbraw/zinc/52/87/38/388528738.db2.gz OGFKLFODONGZCQ-ACHGEACHSA-N 1 2 231.723 1.620 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn(C2CC2)c1 ZINC000528475004 388531954 /nfs/dbraw/zinc/53/19/54/388531954.db2.gz JRTAWBRTIOLGGW-UHFFFAOYSA-N 1 2 245.286 1.213 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCc2n[nH]nc2C1 ZINC000528475228 388532228 /nfs/dbraw/zinc/53/22/28/388532228.db2.gz QNSMKMNCTAYTMI-UQCOIBPSSA-N 1 2 212.684 1.305 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCc2n[nH]nc2C1 ZINC000528475228 388532230 /nfs/dbraw/zinc/53/22/30/388532230.db2.gz QNSMKMNCTAYTMI-UQCOIBPSSA-N 1 2 212.684 1.305 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000528477316 388532762 /nfs/dbraw/zinc/53/27/62/388532762.db2.gz QECWGSYSZHWPCC-XCWSKSJASA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000528477316 388532764 /nfs/dbraw/zinc/53/27/64/388532764.db2.gz QECWGSYSZHWPCC-XCWSKSJASA-N 1 2 235.780 1.972 20 0 BDADLO COc1cncc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000528483987 388534309 /nfs/dbraw/zinc/53/43/09/388534309.db2.gz GZAYEOFFSWIZKZ-UHFFFAOYSA-N 1 2 243.257 1.716 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCCO)s1 ZINC000528489602 388534347 /nfs/dbraw/zinc/53/43/47/388534347.db2.gz FHJGWOHVXYMVFL-UHFFFAOYSA-N 1 2 229.349 1.476 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCCO)s1 ZINC000528489602 388534350 /nfs/dbraw/zinc/53/43/50/388534350.db2.gz FHJGWOHVXYMVFL-UHFFFAOYSA-N 1 2 229.349 1.476 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548410650 388535996 /nfs/dbraw/zinc/53/59/96/388535996.db2.gz GGQLCTDEYPXZLB-OPRDCNLKSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000548410650 388535998 /nfs/dbraw/zinc/53/59/98/388535998.db2.gz GGQLCTDEYPXZLB-OPRDCNLKSA-N 1 2 233.315 1.602 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000529996588 388602454 /nfs/dbraw/zinc/60/24/54/388602454.db2.gz MUTMJPZBFAMXTM-WDEREUQCSA-N 1 2 247.323 1.617 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000082314224 388612570 /nfs/dbraw/zinc/61/25/70/388612570.db2.gz LCMULHVETCSYDK-MRVPVSSYSA-N 1 2 239.237 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000082314224 388612573 /nfs/dbraw/zinc/61/25/73/388612573.db2.gz LCMULHVETCSYDK-MRVPVSSYSA-N 1 2 239.237 1.824 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000358537417 388554985 /nfs/dbraw/zinc/55/49/85/388554985.db2.gz BAUHQNCBECMHLH-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OCC ZINC000359759618 388557514 /nfs/dbraw/zinc/55/75/14/388557514.db2.gz VMBZWYQTHMMCEO-NEPJUHHUSA-N 1 2 245.363 1.979 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000303381940 388563675 /nfs/dbraw/zinc/56/36/75/388563675.db2.gz SGIFAGPOXRUMJQ-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2CO)o1 ZINC000303381940 388563677 /nfs/dbraw/zinc/56/36/77/388563677.db2.gz SGIFAGPOXRUMJQ-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)no1 ZINC000528759113 388568203 /nfs/dbraw/zinc/56/82/03/388568203.db2.gz XBNCKMIJTIBJID-ARHDFHRDSA-N 1 2 239.319 1.534 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCCN1CCOCC1)C2 ZINC000551041544 388619712 /nfs/dbraw/zinc/61/97/12/388619712.db2.gz AZGKLOPTVQGPGO-UHFFFAOYSA-N 1 2 247.342 1.120 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCCN1CCOCC1)C2 ZINC000551041544 388619715 /nfs/dbraw/zinc/61/97/15/388619715.db2.gz AZGKLOPTVQGPGO-UHFFFAOYSA-N 1 2 247.342 1.120 20 0 BDADLO COCC[N@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000189106815 388622305 /nfs/dbraw/zinc/62/23/05/388622305.db2.gz NIOYUKKHGGKSJE-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO COCC[N@@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000189106815 388622307 /nfs/dbraw/zinc/62/23/07/388622307.db2.gz NIOYUKKHGGKSJE-JTQLQIEISA-N 1 2 237.290 1.769 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(C)(F)F ZINC000551164746 388622588 /nfs/dbraw/zinc/62/25/88/388622588.db2.gz NRQKNZPBIFLPIK-MRVPVSSYSA-N 1 2 243.257 1.558 20 0 BDADLO C[C@@H](C(=O)[O-])[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000086300830 388684293 /nfs/dbraw/zinc/68/42/93/388684293.db2.gz QRMPKQWDUGKPBK-MNOVXSKESA-N 1 2 228.336 1.171 20 0 BDADLO CC(C)C(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000551358459 388627537 /nfs/dbraw/zinc/62/75/37/388627537.db2.gz WMUDRXVUJYSCFY-UHFFFAOYSA-N 1 2 223.320 1.824 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000246467994 388637439 /nfs/dbraw/zinc/63/74/39/388637439.db2.gz MMQZKSJXMCTAEA-VXGBXAGGSA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000246467994 388637442 /nfs/dbraw/zinc/63/74/42/388637442.db2.gz MMQZKSJXMCTAEA-VXGBXAGGSA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000246467977 388637969 /nfs/dbraw/zinc/63/79/69/388637969.db2.gz MMQZKSJXMCTAEA-NWDGAFQWSA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000246467977 388637971 /nfs/dbraw/zinc/63/79/71/388637971.db2.gz MMQZKSJXMCTAEA-NWDGAFQWSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)NCc1[nH+]ccn1C ZINC000551897577 388645272 /nfs/dbraw/zinc/64/52/72/388645272.db2.gz UKLCVWFGUYMRJH-VIFPVBQESA-N 1 2 236.319 1.360 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000192804119 388685672 /nfs/dbraw/zinc/68/56/72/388685672.db2.gz DCWOEQPEBVKZSK-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000192804119 388685676 /nfs/dbraw/zinc/68/56/76/388685676.db2.gz DCWOEQPEBVKZSK-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000067457051 388734428 /nfs/dbraw/zinc/73/44/28/388734428.db2.gz YOPJIYHZBTVBTG-LLVKDONJSA-N 1 2 247.342 1.486 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000067457051 388734429 /nfs/dbraw/zinc/73/44/29/388734429.db2.gz YOPJIYHZBTVBTG-LLVKDONJSA-N 1 2 247.342 1.486 20 0 BDADLO Cc1noc(NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC000128023903 388736672 /nfs/dbraw/zinc/73/66/72/388736672.db2.gz CIFHVZIYZIPNKC-UHFFFAOYSA-N 1 2 238.291 1.048 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522266016 388740813 /nfs/dbraw/zinc/74/08/13/388740813.db2.gz SCZSFPKERBOTGT-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522266016 388740814 /nfs/dbraw/zinc/74/08/14/388740814.db2.gz SCZSFPKERBOTGT-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCc1cnc(C[NH2+]Cc2cnnn2C)s1 ZINC000227127194 388748177 /nfs/dbraw/zinc/74/81/77/388748177.db2.gz NRDMIEXFPUDITD-UHFFFAOYSA-N 1 2 237.332 1.124 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H](C)O1 ZINC000251683807 388751212 /nfs/dbraw/zinc/75/12/12/388751212.db2.gz JCFZZQDGNXRNBO-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@H](C)O1 ZINC000251683807 388751215 /nfs/dbraw/zinc/75/12/15/388751215.db2.gz JCFZZQDGNXRNBO-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccncc2)C[C@H](C)O1 ZINC000251683800 388751503 /nfs/dbraw/zinc/75/15/03/388751503.db2.gz JCFZZQDGNXRNBO-AAEUAGOBSA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H](C)O1 ZINC000251683800 388751506 /nfs/dbraw/zinc/75/15/06/388751506.db2.gz JCFZZQDGNXRNBO-AAEUAGOBSA-N 1 2 236.315 1.317 20 0 BDADLO CC(=O)N[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000193182075 388694977 /nfs/dbraw/zinc/69/49/77/388694977.db2.gz MTGNPIFYEAXQHD-JTQLQIEISA-N 1 2 249.314 1.470 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCOCC1CC1 ZINC000193385291 388703254 /nfs/dbraw/zinc/70/32/54/388703254.db2.gz WKQOCYSOIRFCIZ-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCOCC1CC1 ZINC000193385291 388703256 /nfs/dbraw/zinc/70/32/56/388703256.db2.gz WKQOCYSOIRFCIZ-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO COCCO[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000193558657 388709537 /nfs/dbraw/zinc/70/95/37/388709537.db2.gz YAVPVOAIJZZERU-LBPRGKRZSA-N 1 2 236.315 1.713 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000195519071 388711383 /nfs/dbraw/zinc/71/13/83/388711383.db2.gz QRJGAEGBXGXTSG-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000195519071 388711385 /nfs/dbraw/zinc/71/13/85/388711385.db2.gz QRJGAEGBXGXTSG-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000249396034 388719260 /nfs/dbraw/zinc/71/92/60/388719260.db2.gz SVMRMKKSRPRHOJ-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H](C)O1 ZINC000249396034 388719264 /nfs/dbraw/zinc/71/92/64/388719264.db2.gz SVMRMKKSRPRHOJ-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249410965 388720733 /nfs/dbraw/zinc/72/07/33/388720733.db2.gz XZFYZYXNBLDMEW-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249410965 388720736 /nfs/dbraw/zinc/72/07/36/388720736.db2.gz XZFYZYXNBLDMEW-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cn1 ZINC000127626548 388728177 /nfs/dbraw/zinc/72/81/77/388728177.db2.gz CLXKMZDOANNCQZ-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cn1 ZINC000127626548 388728179 /nfs/dbraw/zinc/72/81/79/388728179.db2.gz CLXKMZDOANNCQZ-LBPRGKRZSA-N 1 2 233.315 1.100 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)no1 ZINC000249577748 388728517 /nfs/dbraw/zinc/72/85/17/388728517.db2.gz ALIWKYMXAOXHMY-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)no1 ZINC000249577748 388728519 /nfs/dbraw/zinc/72/85/19/388728519.db2.gz ALIWKYMXAOXHMY-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC000127727517 388730462 /nfs/dbraw/zinc/73/04/62/388730462.db2.gz RKWJYGXKOPOZCI-WPRPVWTQSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC000127727517 388730463 /nfs/dbraw/zinc/73/04/63/388730463.db2.gz RKWJYGXKOPOZCI-WPRPVWTQSA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000554199050 388803633 /nfs/dbraw/zinc/80/36/33/388803633.db2.gz AIUYMUZEZIOQEI-NSHDSACASA-N 1 2 249.358 1.996 20 0 BDADLO CCCCn1nnnc1C[N@H+](CCC)C1CC1 ZINC000539424517 388759104 /nfs/dbraw/zinc/75/91/04/388759104.db2.gz OIWRHNLNEYKKFB-UHFFFAOYSA-N 1 2 237.351 1.848 20 0 BDADLO CCCCn1nnnc1C[N@@H+](CCC)C1CC1 ZINC000539424517 388759106 /nfs/dbraw/zinc/75/91/06/388759106.db2.gz OIWRHNLNEYKKFB-UHFFFAOYSA-N 1 2 237.351 1.848 20 0 BDADLO Nc1[nH+]cnc(NCCCCCO)c1Cl ZINC000228726436 388773376 /nfs/dbraw/zinc/77/33/76/388773376.db2.gz NPNJIHOICWYXCT-UHFFFAOYSA-N 1 2 230.699 1.287 20 0 BDADLO Nc1nc[nH+]c(NCCCCCO)c1Cl ZINC000228726436 388773382 /nfs/dbraw/zinc/77/33/82/388773382.db2.gz NPNJIHOICWYXCT-UHFFFAOYSA-N 1 2 230.699 1.287 20 0 BDADLO C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCC[NH+](C)C1 ZINC000252709491 388773953 /nfs/dbraw/zinc/77/39/53/388773953.db2.gz CZRYIQJPTUKPFP-MGPQQGTHSA-N 1 2 239.407 1.258 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@H](CC)C(=O)OCC)CCO1 ZINC000252801272 388784420 /nfs/dbraw/zinc/78/44/20/388784420.db2.gz AEGDPDMCRYRDRS-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@H](CC)C(=O)OCC)CCO1 ZINC000252801272 388784426 /nfs/dbraw/zinc/78/44/26/388784426.db2.gz AEGDPDMCRYRDRS-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO COc1ccc[nH+]c1NCC(F)(F)CO ZINC000228629049 388815558 /nfs/dbraw/zinc/81/55/58/388815558.db2.gz KRZANAQEAFTRRY-UHFFFAOYSA-N 1 2 218.203 1.130 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C2CCC1CC2 ZINC000523398329 388836636 /nfs/dbraw/zinc/83/66/36/388836636.db2.gz GJQAMKVBMUHEOW-UHFFFAOYSA-N 1 2 219.288 1.427 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)n1cccc1 ZINC000523951971 388863833 /nfs/dbraw/zinc/86/38/33/388863833.db2.gz LRGSUNYVDLWXQZ-SNVBAGLBSA-N 1 2 232.287 1.479 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1csc(C)n1 ZINC000564671432 388883843 /nfs/dbraw/zinc/88/38/43/388883843.db2.gz FUBWTIVYPIKJJD-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1csc(C)n1 ZINC000564671432 388883840 /nfs/dbraw/zinc/88/38/40/388883840.db2.gz FUBWTIVYPIKJJD-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)c1c[nH]c[nH+]1 ZINC000649167226 388886029 /nfs/dbraw/zinc/88/60/29/388886029.db2.gz OYMJUCDHVFIPDH-GARJFASQSA-N 1 2 247.342 1.992 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCCc3ccccc32)n1 ZINC000152681569 388874709 /nfs/dbraw/zinc/87/47/09/388874709.db2.gz XDWXSFNZRYVRIX-CYBMUJFWSA-N 1 2 242.326 1.982 20 0 BDADLO CCn1nccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000565180644 388923405 /nfs/dbraw/zinc/92/34/05/388923405.db2.gz ISNKCLVVFWRTHT-SNVBAGLBSA-N 1 2 236.319 1.182 20 0 BDADLO C[C@@H](CC(=O)N1CCC[C@H](F)C1)n1cc[nH+]c1 ZINC000565311278 388936501 /nfs/dbraw/zinc/93/65/01/388936501.db2.gz DOAOOYKJJPQGRU-QWRGUYRKSA-N 1 2 239.294 1.795 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCc3ccncc32)C1 ZINC000565194621 388924606 /nfs/dbraw/zinc/92/46/06/388924606.db2.gz MSRYIEZHKMGPDB-UHFFFAOYSA-N 1 2 245.326 1.313 20 0 BDADLO CO[C@H]1CCN(c2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000281693649 132211636 /nfs/dbraw/zinc/21/16/36/132211636.db2.gz SAEBXGQWTSMLKR-ONGXEEELSA-N 1 2 221.304 1.789 20 0 BDADLO CCn1ccc(C[NH2+][C@H](C)c2cncnc2C)n1 ZINC000565219740 388928474 /nfs/dbraw/zinc/92/84/74/388928474.db2.gz YZQMCOYGNSCLOF-SNVBAGLBSA-N 1 2 245.330 1.852 20 0 BDADLO CC(C)c1nc(N2CCn3nncc3C2)cc[nH+]1 ZINC000565226582 388928790 /nfs/dbraw/zinc/92/87/90/388928790.db2.gz YASMQQNUOJAESO-UHFFFAOYSA-N 1 2 244.302 1.212 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H]([C@@H](C)O)C1 ZINC000565229420 388929824 /nfs/dbraw/zinc/92/98/24/388929824.db2.gz MTDBWWNVTXJWHX-ZYHUDNBSSA-N 1 2 235.331 1.691 20 0 BDADLO O=C1C[C@H](CSc2[nH+]cc3ccccn32)CN1 ZINC000565240300 388931132 /nfs/dbraw/zinc/93/11/32/388931132.db2.gz URLLJGBTWKKJIV-VIFPVBQESA-N 1 2 247.323 1.563 20 0 BDADLO Cc1cn2cc(NC(=O)NCCF)ccc2[nH+]1 ZINC000565577788 388954681 /nfs/dbraw/zinc/95/46/81/388954681.db2.gz FYCXTYAMLKYISH-UHFFFAOYSA-N 1 2 236.250 1.734 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCCF)n1 ZINC000565606464 388956613 /nfs/dbraw/zinc/95/66/13/388956613.db2.gz DGCSOQPYGMWDFP-ZETCQYMHSA-N 1 2 201.245 1.730 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCCF)n1 ZINC000565606464 388956616 /nfs/dbraw/zinc/95/66/16/388956616.db2.gz DGCSOQPYGMWDFP-ZETCQYMHSA-N 1 2 201.245 1.730 20 0 BDADLO Cc1c[nH]cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565899188 388977874 /nfs/dbraw/zinc/97/78/74/388977874.db2.gz VOTQWTVJMORXGM-UHFFFAOYSA-N 1 2 232.287 1.711 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@](C)(O)C1 ZINC000565903330 388977924 /nfs/dbraw/zinc/97/79/24/388977924.db2.gz HCPTXJFRFPYBBY-LLVKDONJSA-N 1 2 207.277 1.055 20 0 BDADLO CC(C)[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000265843438 388993987 /nfs/dbraw/zinc/99/39/87/388993987.db2.gz OHLNHOHTFCAJPW-JTQLQIEISA-N 1 2 221.304 1.783 20 0 BDADLO COC(=O)CSCCNc1cc[nH+]c(C)n1 ZINC000266360956 388994839 /nfs/dbraw/zinc/99/48/39/388994839.db2.gz KOTJIUVLOAXSDX-UHFFFAOYSA-N 1 2 241.316 1.103 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C(C)C)no2)C1 ZINC000510107136 533292959 /nfs/dbraw/zinc/29/29/59/533292959.db2.gz XTSZLRQZEMYFJB-AOOOYVTPSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C(C)C)no2)C1 ZINC000510107136 533292966 /nfs/dbraw/zinc/29/29/66/533292966.db2.gz XTSZLRQZEMYFJB-AOOOYVTPSA-N 1 2 239.319 1.802 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000494980835 533325325 /nfs/dbraw/zinc/32/53/25/533325325.db2.gz PGIKBZOYPSXGLP-VIFPVBQESA-N 1 2 239.331 1.953 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000494980835 533325330 /nfs/dbraw/zinc/32/53/30/533325330.db2.gz PGIKBZOYPSXGLP-VIFPVBQESA-N 1 2 239.331 1.953 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493859163 533433728 /nfs/dbraw/zinc/43/37/28/533433728.db2.gz QCOVQFHXJLFQCO-OCIBVNFRSA-N 1 2 235.287 1.107 20 0 BDADLO Cc1nc(N2CCO[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000267964271 132190977 /nfs/dbraw/zinc/19/09/77/132190977.db2.gz MGBLXZKFXHKLBR-JTQLQIEISA-N 1 2 247.342 1.889 20 0 BDADLO Cc1nc(N2CCN(CC(C)C)C(=O)C2)cc[nH+]1 ZINC000275053828 132204738 /nfs/dbraw/zinc/20/47/38/132204738.db2.gz UFHMGMBOHODWFN-UHFFFAOYSA-N 1 2 248.330 1.090 20 0 BDADLO COC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H](C)O1 ZINC000276045457 132205844 /nfs/dbraw/zinc/20/58/44/132205844.db2.gz PVRICSIVZIIKPY-ONGXEEELSA-N 1 2 237.303 1.025 20 0 BDADLO Cc1nc(N2C[C@@H](C3CC3)O[C@@H](C)C2)cc[nH+]1 ZINC000280202300 132210012 /nfs/dbraw/zinc/21/00/12/132210012.db2.gz GCDFPAMTCFIJTE-CABZTGNLSA-N 1 2 233.315 1.789 20 0 BDADLO CCc1nc(N2CCO[C@H](C)C2)cc(C)[nH+]1 ZINC000283663747 132212920 /nfs/dbraw/zinc/21/29/20/132212920.db2.gz WEMLLHIXXUAYGY-SNVBAGLBSA-N 1 2 221.304 1.573 20 0 BDADLO OC[C@]1(F)CCCN(c2cccc[nH+]2)C1 ZINC000286596458 132215158 /nfs/dbraw/zinc/21/51/58/132215158.db2.gz ZJVFMVKSTKKBGC-NSHDSACASA-N 1 2 210.252 1.382 20 0 BDADLO Cc1nc(N2CC[C@@H](CO)C[C@H]2C)cc[nH+]1 ZINC000341041852 132226050 /nfs/dbraw/zinc/22/60/50/132226050.db2.gz OUSWFQMQHPIOPJ-MWLCHTKSSA-N 1 2 221.304 1.382 20 0 BDADLO Cc1cc[nH+]cc1N1CCN(CC(N)=O)CC1 ZINC000330470823 132228642 /nfs/dbraw/zinc/22/86/42/132228642.db2.gz DLOAZSAPEAYLFA-UHFFFAOYSA-N 1 2 234.303 1.047 20 0 BDADLO CCOC(=O)C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000050069803 132228651 /nfs/dbraw/zinc/22/86/51/132228651.db2.gz GNKDMAFTBNGGHV-UHFFFAOYSA-N 1 2 249.314 1.565 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCO1 ZINC000334059563 132246895 /nfs/dbraw/zinc/24/68/95/132246895.db2.gz XZCPBFWBAHPFSG-SECBINFHSA-N 1 2 234.303 1.276 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCO1 ZINC000334059563 132246897 /nfs/dbraw/zinc/24/68/97/132246897.db2.gz XZCPBFWBAHPFSG-SECBINFHSA-N 1 2 234.303 1.276 20 0 BDADLO Cc1nc(N2CCC(C(N)=O)CC2)c(C)c(C)[nH+]1 ZINC000301446027 132253784 /nfs/dbraw/zinc/25/37/84/132253784.db2.gz RCUXMQBSCHWATF-UHFFFAOYSA-N 1 2 248.330 1.104 20 0 BDADLO c1ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)[nH+]c1 ZINC000301607562 132255353 /nfs/dbraw/zinc/25/53/53/132255353.db2.gz NTTJJMLCRMMBBT-VXGBXAGGSA-N 1 2 234.299 1.466 20 0 BDADLO Cc1cncc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000302108690 132260391 /nfs/dbraw/zinc/26/03/91/132260391.db2.gz OMGMIAFUNDSVKB-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO c1ccc(N2CCO[C@]3(CCOC3)C2)[nH+]c1 ZINC000302232292 132262382 /nfs/dbraw/zinc/26/23/82/132262382.db2.gz YIZDCGRUOSWSDY-GFCCVEGCSA-N 1 2 220.272 1.077 20 0 BDADLO Cc1cc(N2C[C@H](C)O[C@]3(CCOC3)C2)nc[nH+]1 ZINC000360247482 132279003 /nfs/dbraw/zinc/27/90/03/132279003.db2.gz BXETZVGNVFAJSM-WCQYABFASA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N2CCO[C@H]3C[C@H]32)c2c([nH+]1)CCCC2 ZINC000368305754 132283510 /nfs/dbraw/zinc/28/35/10/132283510.db2.gz ZKPPAJMMMHMFRM-OLZOCXBDSA-N 1 2 245.326 1.641 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1nc[nH+]c(N)c1Cl ZINC000277743383 132306301 /nfs/dbraw/zinc/30/63/01/132306301.db2.gz JGIACTVTHULROK-RQJHMYQMSA-N 1 2 242.710 1.326 20 0 BDADLO CCc1nc(N2CCC[C@@H](O)[C@H]2C)cc(C)[nH+]1 ZINC000294879365 132307782 /nfs/dbraw/zinc/30/77/82/132307782.db2.gz BUZJLIQRCUAYJX-GHMZBOCLSA-N 1 2 235.331 1.697 20 0 BDADLO c1nc(N2CCCCC2)cc(N[C@H]2CCOC2)[nH+]1 ZINC000301775548 132361277 /nfs/dbraw/zinc/36/12/77/132361277.db2.gz NSMFRDJQIPTYSI-NSHDSACASA-N 1 2 248.330 1.668 20 0 BDADLO c1nc(N[C@H]2CCOC2)cc(N2CCCCC2)[nH+]1 ZINC000301775548 132361278 /nfs/dbraw/zinc/36/12/78/132361278.db2.gz NSMFRDJQIPTYSI-NSHDSACASA-N 1 2 248.330 1.668 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH+]ccn2C)c1F ZINC000161583193 133514873 /nfs/dbraw/zinc/51/48/73/133514873.db2.gz MESKRWDVSOXKBT-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@](C)(O)C2)no1 ZINC000351718294 133982537 /nfs/dbraw/zinc/98/25/37/133982537.db2.gz QFJCGHRKZZYCKE-KWQFWETISA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@](C)(O)C2)no1 ZINC000351718294 133982538 /nfs/dbraw/zinc/98/25/38/133982538.db2.gz QFJCGHRKZZYCKE-KWQFWETISA-N 1 2 225.292 1.286 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CC[S@@]1=O ZINC000351924472 134006469 /nfs/dbraw/zinc/00/64/69/134006469.db2.gz GFWHYHMZJDCHBG-GYSYKLTISA-N 1 2 213.346 1.548 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[S@@]1=O ZINC000351924472 134006470 /nfs/dbraw/zinc/00/64/70/134006470.db2.gz GFWHYHMZJDCHBG-GYSYKLTISA-N 1 2 213.346 1.548 20 0 BDADLO O=C(NCc1ccno1)c1ccc2[nH+]ccn2c1 ZINC000351928328 134009040 /nfs/dbraw/zinc/00/90/40/134009040.db2.gz SYGVCKGUVPHJOR-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000335926513 134009147 /nfs/dbraw/zinc/00/91/47/134009147.db2.gz GESAEIVZPZBRCU-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000335926513 134009148 /nfs/dbraw/zinc/00/91/48/134009148.db2.gz GESAEIVZPZBRCU-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000335933151 134011479 /nfs/dbraw/zinc/01/14/79/134011479.db2.gz HLNWHUXBBHXSBB-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](CO)C1 ZINC000351932254 134012485 /nfs/dbraw/zinc/01/24/85/134012485.db2.gz YISOIXNTQBJNBM-LLVKDONJSA-N 1 2 249.314 1.545 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[S@@](=O)[C@H](C)C2)c1 ZINC000335945240 134020022 /nfs/dbraw/zinc/02/00/22/134020022.db2.gz NKBWNMRGRHPHSS-MLGOLLRUSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1cccc(C[N@H+]2CC[S@@](=O)[C@H](C)C2)c1 ZINC000335945240 134020023 /nfs/dbraw/zinc/02/00/23/134020023.db2.gz NKBWNMRGRHPHSS-MLGOLLRUSA-N 1 2 237.368 1.948 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335949701 134021248 /nfs/dbraw/zinc/02/12/48/134021248.db2.gz FXURSJYOXJQFFH-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000335955026 134022909 /nfs/dbraw/zinc/02/29/09/134022909.db2.gz QJIBAPNEGXQQBZ-BDAKNGLRSA-N 1 2 222.292 1.018 20 0 BDADLO C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCOC1 ZINC000335978698 134032401 /nfs/dbraw/zinc/03/24/01/134032401.db2.gz RIANLGSRVKZQMH-CYBMUJFWSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1cnc(C[NH2+][C@H](CO)c2ccsc2)nc1 ZINC000352020835 134037289 /nfs/dbraw/zinc/03/72/89/134037289.db2.gz JFPOGSIRKPGSMG-LLVKDONJSA-N 1 2 249.339 1.670 20 0 BDADLO Cc1[nH]nc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1C ZINC000335980834 134037873 /nfs/dbraw/zinc/03/78/73/134037873.db2.gz SFQUUJNZJFTVJH-UHFFFAOYSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1nnc([C@@H]2C[N@H+](CC[C@@H](C)F)CCO2)[nH]1 ZINC000352043410 134045417 /nfs/dbraw/zinc/04/54/17/134045417.db2.gz CZEMJASLQRAXHX-SCZZXKLOSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nnc([C@@H]2C[N@@H+](CC[C@@H](C)F)CCO2)[nH]1 ZINC000352043410 134045418 /nfs/dbraw/zinc/04/54/18/134045418.db2.gz CZEMJASLQRAXHX-SCZZXKLOSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CC[C@@H](C)F)CCO2)n[nH]1 ZINC000352043410 134045419 /nfs/dbraw/zinc/04/54/19/134045419.db2.gz CZEMJASLQRAXHX-SCZZXKLOSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CC[C@@H](C)F)CCO2)n[nH]1 ZINC000352043410 134045420 /nfs/dbraw/zinc/04/54/20/134045420.db2.gz CZEMJASLQRAXHX-SCZZXKLOSA-N 1 2 242.298 1.235 20 0 BDADLO COCC[N@H+](CC[C@@H](C)F)CC(F)F ZINC000352051130 134047355 /nfs/dbraw/zinc/04/73/55/134047355.db2.gz YXGNGZXRXRKMHW-MRVPVSSYSA-N 1 2 213.243 1.948 20 0 BDADLO COCC[N@@H+](CC[C@@H](C)F)CC(F)F ZINC000352051130 134047356 /nfs/dbraw/zinc/04/73/56/134047356.db2.gz YXGNGZXRXRKMHW-MRVPVSSYSA-N 1 2 213.243 1.948 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCOC1 ZINC000336005707 134049044 /nfs/dbraw/zinc/04/90/44/134049044.db2.gz NWYCOTZUBCPBPO-SNVBAGLBSA-N 1 2 220.272 1.177 20 0 BDADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cc[nH]n1)CO2 ZINC000336039483 134060701 /nfs/dbraw/zinc/06/07/01/134060701.db2.gz LCMPMQIRVQITEL-NSHDSACASA-N 1 2 233.246 1.772 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000336055045 134065957 /nfs/dbraw/zinc/06/59/57/134065957.db2.gz YVIPNOBHYKGPIQ-QWRGUYRKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000336055045 134065958 /nfs/dbraw/zinc/06/59/58/134065958.db2.gz YVIPNOBHYKGPIQ-QWRGUYRKSA-N 1 2 225.288 1.170 20 0 BDADLO C[C@H](C(=O)NCCC1(C)CC1)[NH+]1CCOCC1 ZINC000352110233 134067996 /nfs/dbraw/zinc/06/79/96/134067996.db2.gz BFJVWMGWEYDVKD-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336065711 134070322 /nfs/dbraw/zinc/07/03/22/134070322.db2.gz XVVVWLWWRCMBLU-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000336065711 134070323 /nfs/dbraw/zinc/07/03/23/134070323.db2.gz XVVVWLWWRCMBLU-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCNC(=O)C1 ZINC000336097113 134080430 /nfs/dbraw/zinc/08/04/30/134080430.db2.gz PSQHTTGQNQOKLU-NSHDSACASA-N 1 2 244.338 1.668 20 0 BDADLO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCNC(=O)C1 ZINC000336097113 134080431 /nfs/dbraw/zinc/08/04/31/134080431.db2.gz PSQHTTGQNQOKLU-NSHDSACASA-N 1 2 244.338 1.668 20 0 BDADLO CC[N@H+](C[C@@H](C)O)[C@H](C)c1nnc(C)s1 ZINC000352195939 134099181 /nfs/dbraw/zinc/09/91/81/134099181.db2.gz VLRNFAGSOAAGRX-HTQZYQBOSA-N 1 2 229.349 1.610 20 0 BDADLO CC[N@@H+](C[C@@H](C)O)[C@H](C)c1nnc(C)s1 ZINC000352195939 134099182 /nfs/dbraw/zinc/09/91/82/134099182.db2.gz VLRNFAGSOAAGRX-HTQZYQBOSA-N 1 2 229.349 1.610 20 0 BDADLO CN(Cc1ccoc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000352225366 134110048 /nfs/dbraw/zinc/11/00/48/134110048.db2.gz KOKJTBRMSALTJV-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO Fc1cncc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000336177517 134117349 /nfs/dbraw/zinc/11/73/49/134117349.db2.gz WVROTWIJNUWUJU-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cncc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000336177517 134117350 /nfs/dbraw/zinc/11/73/50/134117350.db2.gz WVROTWIJNUWUJU-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO O=S1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000336210001 134133777 /nfs/dbraw/zinc/13/37/77/134133777.db2.gz VAWXDZKJCZOASU-UHFFFAOYSA-N 1 2 249.335 1.997 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H](C)C2)n1 ZINC000171822836 134260994 /nfs/dbraw/zinc/26/09/94/134260994.db2.gz DYDZOLDTQQOYCX-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H](C)C2)n1 ZINC000171822836 134260995 /nfs/dbraw/zinc/26/09/95/134260995.db2.gz DYDZOLDTQQOYCX-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1C ZINC000177879849 134304100 /nfs/dbraw/zinc/30/41/00/134304100.db2.gz QMUNLBYZQAPDIJ-NXEZZACHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1C ZINC000177879849 134304101 /nfs/dbraw/zinc/30/41/01/134304101.db2.gz QMUNLBYZQAPDIJ-NXEZZACHSA-N 1 2 246.314 1.253 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178821670 134315761 /nfs/dbraw/zinc/31/57/61/134315761.db2.gz YJOYFAZEJHQQET-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H](C)[NH2+]1 ZINC000179148546 134317719 /nfs/dbraw/zinc/31/77/19/134317719.db2.gz VHUDMGIYUPCENK-IUCAKERBSA-N 1 2 248.330 1.110 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000180138746 134327539 /nfs/dbraw/zinc/32/75/39/134327539.db2.gz XBHNBTLQCLABBI-JTQLQIEISA-N 1 2 225.317 1.151 20 0 BDADLO c1snnc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000180138746 134327540 /nfs/dbraw/zinc/32/75/40/134327540.db2.gz XBHNBTLQCLABBI-JTQLQIEISA-N 1 2 225.317 1.151 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cc(O)cc(F)c2)n1 ZINC000223145584 134337029 /nfs/dbraw/zinc/33/70/29/134337029.db2.gz MEQFPTVRWRFJSE-UHFFFAOYSA-N 1 2 235.262 1.555 20 0 BDADLO Cc1noc(C[NH2+][C@@H](C)c2cncc(F)c2)n1 ZINC000223187293 134337431 /nfs/dbraw/zinc/33/74/31/134337431.db2.gz HXSPMTSAAZELPT-ZETCQYMHSA-N 1 2 236.250 1.763 20 0 BDADLO COCc1nc(C[N@H+](C)CC2CCCC2)no1 ZINC000182418860 134345136 /nfs/dbraw/zinc/34/51/36/134345136.db2.gz JPNIAFDIQWGAEO-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@@H+](C)CC2CCCC2)no1 ZINC000182418860 134345137 /nfs/dbraw/zinc/34/51/37/134345137.db2.gz JPNIAFDIQWGAEO-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO CCC[NH+](CCC)Cc1noc(COC)n1 ZINC000182401425 134345140 /nfs/dbraw/zinc/34/51/40/134345140.db2.gz MUWNQMPBJCLNLP-UHFFFAOYSA-N 1 2 227.308 1.838 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)C(=O)N(C)C ZINC000225313731 134354539 /nfs/dbraw/zinc/35/45/39/134354539.db2.gz GGLAFHJAEFUYCP-ZCFIWIBFSA-N 1 2 247.751 1.363 20 0 BDADLO CCc1nn(C)cc1N[C@@H](C)c1[nH+]ccn1C ZINC000225874079 134356266 /nfs/dbraw/zinc/35/62/66/134356266.db2.gz UGHICWVNHVLZSZ-VIFPVBQESA-N 1 2 233.319 1.889 20 0 BDADLO CO[C@H](C)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184315318 134362332 /nfs/dbraw/zinc/36/23/32/134362332.db2.gz PFGYLORCNDLJTP-MNOVXSKESA-N 1 2 245.363 1.977 20 0 BDADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184314763 134362648 /nfs/dbraw/zinc/36/26/48/134362648.db2.gz PFHYBJKRKCZKQF-MNOVXSKESA-N 1 2 245.363 1.713 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCO[C@@H](C)C1 ZINC000227035245 134373753 /nfs/dbraw/zinc/37/37/53/134373753.db2.gz JWCDGSNMSJDCPD-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCO[C@@H](C)C1 ZINC000227035245 134373754 /nfs/dbraw/zinc/37/37/54/134373754.db2.gz JWCDGSNMSJDCPD-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO Cn1ncnc1SCc1c[nH+]c2ccccn12 ZINC000185722743 134392575 /nfs/dbraw/zinc/39/25/75/134392575.db2.gz HWNMMBUSBIYMDB-UHFFFAOYSA-N 1 2 245.311 1.755 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1(OC)CCC1)C1CC1 ZINC000227771675 134393850 /nfs/dbraw/zinc/39/38/50/134393850.db2.gz SZVGXYFCJQMWHE-JTQLQIEISA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccsc1)C1CC1 ZINC000227771505 134394181 /nfs/dbraw/zinc/39/41/81/134394181.db2.gz SZRBEQUEEWEJCQ-NSHDSACASA-N 1 2 239.340 1.832 20 0 BDADLO Cc1[nH]nc2ncc(NCc3c[nH+]cn3C)cc12 ZINC000185908499 134396209 /nfs/dbraw/zinc/39/62/09/134396209.db2.gz RSWGLDJTWQINJQ-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO COC(=O)[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C1CC1 ZINC000234543927 134579455 /nfs/dbraw/zinc/57/94/55/134579455.db2.gz BDKDCRNUFVRTQI-HLUHBDAQSA-N 1 2 227.304 1.095 20 0 BDADLO c1c[nH+]c(CNc2ccc3n[nH]cc3c2)[nH]1 ZINC000049715050 134635922 /nfs/dbraw/zinc/63/59/22/134635922.db2.gz NRFIWDDKBSSFKA-UHFFFAOYSA-N 1 2 213.244 1.898 20 0 BDADLO NC(=O)[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000237927604 134847331 /nfs/dbraw/zinc/84/73/31/134847331.db2.gz JENNANRXYROEMK-GFCCVEGCSA-N 1 2 248.257 1.735 20 0 BDADLO O[C@H](C[N@@H+]1CCOC[C@H]1C1CC1)C(F)(F)F ZINC000248389873 135002018 /nfs/dbraw/zinc/00/20/18/135002018.db2.gz HHJSVPRLKBIQTE-DTWKUNHWSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@H](C[N@H+]1CCOC[C@H]1C1CC1)C(F)(F)F ZINC000248389873 135002020 /nfs/dbraw/zinc/00/20/20/135002020.db2.gz HHJSVPRLKBIQTE-DTWKUNHWSA-N 1 2 239.237 1.020 20 0 BDADLO CCC(CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070650833 135002466 /nfs/dbraw/zinc/00/24/66/135002466.db2.gz YCWZHVVPWGBADM-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC=CCC1 ZINC000070651458 135003238 /nfs/dbraw/zinc/00/32/38/135003238.db2.gz YQYIALPEAPSYOU-VIFPVBQESA-N 1 2 205.261 1.382 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000070651511 135005726 /nfs/dbraw/zinc/00/57/26/135005726.db2.gz KMDNUKUTYDHUPB-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070733746 135011669 /nfs/dbraw/zinc/01/16/69/135011669.db2.gz AWXHYPJCUUQGRR-VIFPVBQESA-N 1 2 241.360 1.628 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000248463540 135012460 /nfs/dbraw/zinc/01/24/60/135012460.db2.gz QOJMAOXKRVPQBJ-DTWKUNHWSA-N 1 2 242.344 1.740 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000248463540 135012461 /nfs/dbraw/zinc/01/24/61/135012461.db2.gz QOJMAOXKRVPQBJ-DTWKUNHWSA-N 1 2 242.344 1.740 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248713366 135019223 /nfs/dbraw/zinc/01/92/23/135019223.db2.gz DGTTZSOSBWWXKY-GXSJLCMTSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248713366 135019224 /nfs/dbraw/zinc/01/92/24/135019224.db2.gz DGTTZSOSBWWXKY-GXSJLCMTSA-N 1 2 211.261 1.034 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@H]2CCC[C@H]21)C(F)(F)F ZINC000251334885 135093365 /nfs/dbraw/zinc/09/33/65/135093365.db2.gz PMNDGURJNCLNSV-HRDYMLBCSA-N 1 2 239.237 1.163 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@H]2CCC[C@H]21)C(F)(F)F ZINC000251334885 135093368 /nfs/dbraw/zinc/09/33/68/135093368.db2.gz PMNDGURJNCLNSV-HRDYMLBCSA-N 1 2 239.237 1.163 20 0 BDADLO CC[C@]1(C)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170295 135125427 /nfs/dbraw/zinc/12/54/27/135125427.db2.gz FQLLOAGZUOFIOI-GXSJLCMTSA-N 1 2 246.301 1.632 20 0 BDADLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccco1 ZINC000260019947 135146706 /nfs/dbraw/zinc/14/67/06/135146706.db2.gz MSFJQPGLMALAAH-SNVBAGLBSA-N 1 2 239.271 1.044 20 0 BDADLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccco1 ZINC000260019947 135146708 /nfs/dbraw/zinc/14/67/08/135146708.db2.gz MSFJQPGLMALAAH-SNVBAGLBSA-N 1 2 239.271 1.044 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000261322027 135150096 /nfs/dbraw/zinc/15/00/96/135150096.db2.gz KAYIBYRAXXQTNO-SCZZXKLOSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000261322027 135150097 /nfs/dbraw/zinc/15/00/97/135150097.db2.gz KAYIBYRAXXQTNO-SCZZXKLOSA-N 1 2 203.257 1.372 20 0 BDADLO C[C@H]1CCC[C@@H](N(C)Cc2noc(C[NH3+])n2)C1 ZINC000261542810 135183281 /nfs/dbraw/zinc/18/32/81/135183281.db2.gz QBQYXGMTURFCKE-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO Cn1cc[nH+]c1CN1CCNc2ccccc21 ZINC000261543293 135183910 /nfs/dbraw/zinc/18/39/10/135183910.db2.gz CTMWHGQKJLPIBI-UHFFFAOYSA-N 1 2 228.299 1.852 20 0 BDADLO CCC1(c2nc(C[NH2+]C)no2)CCOCC1 ZINC000261553155 135191771 /nfs/dbraw/zinc/19/17/71/135191771.db2.gz SEQGMRFIYGIYCJ-UHFFFAOYSA-N 1 2 225.292 1.247 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1C=CCCC1 ZINC000342303397 135257728 /nfs/dbraw/zinc/25/77/28/135257728.db2.gz FWXYAQFZLONEEO-NSHDSACASA-N 1 2 219.288 1.498 20 0 BDADLO c1cn(C[C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932043 135264319 /nfs/dbraw/zinc/26/43/19/135264319.db2.gz LREIKDXLGGILBN-UONOGXRCSA-N 1 2 248.374 1.347 20 0 BDADLO c1cn(C[C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932043 135264321 /nfs/dbraw/zinc/26/43/21/135264321.db2.gz LREIKDXLGGILBN-UONOGXRCSA-N 1 2 248.374 1.347 20 0 BDADLO c1cc([C@@H]2CNCC[N@H+]2CC2CC2)ccn1 ZINC000262092188 135278836 /nfs/dbraw/zinc/27/88/36/135278836.db2.gz UWLQQNMEBJZSAJ-ZDUSSCGKSA-N 1 2 217.316 1.438 20 0 BDADLO c1cc([C@@H]2CNCC[N@@H+]2CC2CC2)ccn1 ZINC000262092188 135278838 /nfs/dbraw/zinc/27/88/38/135278838.db2.gz UWLQQNMEBJZSAJ-ZDUSSCGKSA-N 1 2 217.316 1.438 20 0 BDADLO CC(C)(C)[C@H]1CCCN1Cc1noc(C[NH3+])n1 ZINC000262222180 135286285 /nfs/dbraw/zinc/28/62/85/135286285.db2.gz MTYHDFJOJPIMOG-SECBINFHSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cc(C)nc(C)n2)c[nH+]1 ZINC000342667780 135308319 /nfs/dbraw/zinc/30/83/19/135308319.db2.gz TVIZCTBBIKDRIG-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2ccoc2)n1C ZINC000342788725 135318170 /nfs/dbraw/zinc/31/81/70/135318170.db2.gz KHXCLMDKYYHQCS-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@@H]2CCSC2)n1C ZINC000342791645 135319562 /nfs/dbraw/zinc/31/95/62/135319562.db2.gz OQHVZUBUDNTZRD-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1c[nH+]c(CN2CCSC[C@H]2C)n1C ZINC000342798028 135320597 /nfs/dbraw/zinc/32/05/97/135320597.db2.gz IIDSWQKIBHGUMM-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@H]2C)n1C ZINC000342798028 135320599 /nfs/dbraw/zinc/32/05/99/135320599.db2.gz IIDSWQKIBHGUMM-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2C)n1C ZINC000342798028 135320600 /nfs/dbraw/zinc/32/06/00/135320600.db2.gz IIDSWQKIBHGUMM-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H](C)C2)n1C ZINC000342799039 135321273 /nfs/dbraw/zinc/32/12/73/135321273.db2.gz MJVARXJLKSHTNC-SNVBAGLBSA-N 1 2 223.320 1.197 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H](C)C2)n1C ZINC000342799039 135321275 /nfs/dbraw/zinc/32/12/75/135321275.db2.gz MJVARXJLKSHTNC-SNVBAGLBSA-N 1 2 223.320 1.197 20 0 BDADLO Cc1c[nH+]c(CN2CCOC[C@H](C)C2)n1C ZINC000342799039 135321276 /nfs/dbraw/zinc/32/12/76/135321276.db2.gz MJVARXJLKSHTNC-SNVBAGLBSA-N 1 2 223.320 1.197 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000334165888 135323705 /nfs/dbraw/zinc/32/37/05/135323705.db2.gz AGDLIKLDTOAMBG-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO Cn1c2ccccc2[nH+]c1N(CCO)CC1CC1 ZINC000342767443 135326089 /nfs/dbraw/zinc/32/60/89/135326089.db2.gz CFTJKCDLSVMLKK-UHFFFAOYSA-N 1 2 245.326 1.782 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334223277 135328504 /nfs/dbraw/zinc/32/85/04/135328504.db2.gz ZJVXVFMQFUMCSJ-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334223277 135328506 /nfs/dbraw/zinc/32/85/06/135328506.db2.gz ZJVXVFMQFUMCSJ-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1nc(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000334221918 135328617 /nfs/dbraw/zinc/32/86/17/135328617.db2.gz XPJABNUNUXCVBO-TXEJJXNPSA-N 1 2 238.356 1.857 20 0 BDADLO Cc1nc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000334221918 135328618 /nfs/dbraw/zinc/32/86/18/135328618.db2.gz XPJABNUNUXCVBO-TXEJJXNPSA-N 1 2 238.356 1.857 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263247496 135342785 /nfs/dbraw/zinc/34/27/85/135342785.db2.gz PLXAAJYYRGSZMH-SCZZXKLOSA-N 1 2 246.301 1.679 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000366796534 135343754 /nfs/dbraw/zinc/34/37/54/135343754.db2.gz LMFICSFBRHXLKU-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000366796534 135343755 /nfs/dbraw/zinc/34/37/55/135343755.db2.gz LMFICSFBRHXLKU-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1ccc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000334313700 135351479 /nfs/dbraw/zinc/35/14/79/135351479.db2.gz NVPOVYKKHQNRIL-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000343144826 135360711 /nfs/dbraw/zinc/36/07/11/135360711.db2.gz WUOCDZQLYVOWJW-SNVBAGLBSA-N 1 2 232.287 1.338 20 0 BDADLO CN(C[C@H]1CCC[C@H]1O)c1cc[nH+]c(C2CC2)n1 ZINC000269992456 135364777 /nfs/dbraw/zinc/36/47/77/135364777.db2.gz PLCDNNJHXMHARS-VXGBXAGGSA-N 1 2 247.342 1.951 20 0 BDADLO Cc1ncsc1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334358058 135370512 /nfs/dbraw/zinc/37/05/12/135370512.db2.gz RQFGAVCVGIXGMS-LLVKDONJSA-N 1 2 238.356 1.451 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC[C@H]2C)c[nH+]1 ZINC000334363837 135373422 /nfs/dbraw/zinc/37/34/22/135373422.db2.gz LYGCBPJNBLGYGH-PSASIEDQSA-N 1 2 221.304 1.884 20 0 BDADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@H]1O ZINC000299908319 135382491 /nfs/dbraw/zinc/38/24/91/135382491.db2.gz UTNTUZWBWQNEAF-ZWNOBZJWSA-N 1 2 245.326 1.780 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)n1 ZINC000334389679 135382964 /nfs/dbraw/zinc/38/29/64/135382964.db2.gz SIJOZUNNKZACAB-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)n1 ZINC000334389679 135382966 /nfs/dbraw/zinc/38/29/66/135382966.db2.gz SIJOZUNNKZACAB-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1Cc2ccccc21 ZINC000334388044 135384890 /nfs/dbraw/zinc/38/48/90/135384890.db2.gz QARCEDWJRPKUBX-LBPRGKRZSA-N 1 2 241.294 1.376 20 0 BDADLO Cc1ccccc1NC(=O)C[N@@H+]1CCCOCC1 ZINC000334402689 135390927 /nfs/dbraw/zinc/39/09/27/135390927.db2.gz HPMUTKBPTURKPJ-UHFFFAOYSA-N 1 2 248.326 1.656 20 0 BDADLO Cc1ccccc1NC(=O)C[N@H+]1CCCOCC1 ZINC000334402689 135390928 /nfs/dbraw/zinc/39/09/28/135390928.db2.gz HPMUTKBPTURKPJ-UHFFFAOYSA-N 1 2 248.326 1.656 20 0 BDADLO Cc1nc(N2CC[C@H]([C@H]3CCOC3)C2)cc[nH+]1 ZINC000371007441 135768893 /nfs/dbraw/zinc/76/88/93/135768893.db2.gz VAHMECGXCWMONA-RYUDHWBXSA-N 1 2 233.315 1.648 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CO[C@@H](C)C2)cc(C)[nH+]1 ZINC000335058188 135875806 /nfs/dbraw/zinc/87/58/06/135875806.db2.gz YWCFBFXBYPJNMQ-AAEUAGOBSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1cc(CNC(=O)[C@@]2(C)CCCO2)cc(C)[nH+]1 ZINC000335072800 135891315 /nfs/dbraw/zinc/89/13/15/135891315.db2.gz JHBFXWIMLBXIIJ-CQSZACIVSA-N 1 2 248.326 1.884 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCC[C@H](CO)C2)nn1 ZINC000347652627 136001611 /nfs/dbraw/zinc/00/16/11/136001611.db2.gz NGXBKAMFMMAGFK-NSHDSACASA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCC[C@H](CO)C2)nn1 ZINC000347652627 136001612 /nfs/dbraw/zinc/00/16/12/136001612.db2.gz NGXBKAMFMMAGFK-NSHDSACASA-N 1 2 238.335 1.063 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000347696066 136006289 /nfs/dbraw/zinc/00/62/89/136006289.db2.gz ZKURNFRGXQCASQ-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000347696066 136006290 /nfs/dbraw/zinc/00/62/90/136006290.db2.gz ZKURNFRGXQCASQ-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000347998530 136023982 /nfs/dbraw/zinc/02/39/82/136023982.db2.gz IHGLYOPGKXUFPK-QJPTWQEYSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnccc1C ZINC000335311101 136029474 /nfs/dbraw/zinc/02/94/74/136029474.db2.gz RSOXEURCMOZRHU-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2C[C@H]2C(F)F)c1Cl ZINC000348103202 136036600 /nfs/dbraw/zinc/03/66/00/136036600.db2.gz DUGGKNSTJYXLHI-QWWZWVQMSA-N 1 2 234.637 1.778 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2C[C@H]2C(F)F)c1Cl ZINC000348103202 136036601 /nfs/dbraw/zinc/03/66/01/136036601.db2.gz DUGGKNSTJYXLHI-QWWZWVQMSA-N 1 2 234.637 1.778 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348136904 136038715 /nfs/dbraw/zinc/03/87/15/136038715.db2.gz BAWPMQOJMWRJPR-LLVKDONJSA-N 1 2 247.346 1.655 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348136904 136038716 /nfs/dbraw/zinc/03/87/16/136038716.db2.gz BAWPMQOJMWRJPR-LLVKDONJSA-N 1 2 247.346 1.655 20 0 BDADLO C(c1nnnn1C1CC1)[N@@H+]1CCCC2(CCC2)C1 ZINC000348168538 136042262 /nfs/dbraw/zinc/04/22/62/136042262.db2.gz MPDKJOMHWKLWRV-UHFFFAOYSA-N 1 2 247.346 1.774 20 0 BDADLO C(c1nnnn1C1CC1)[N@H+]1CCCC2(CCC2)C1 ZINC000348168538 136042263 /nfs/dbraw/zinc/04/22/63/136042263.db2.gz MPDKJOMHWKLWRV-UHFFFAOYSA-N 1 2 247.346 1.774 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CC[S@](=O)CC2(C)C)O1 ZINC000348185228 136044346 /nfs/dbraw/zinc/04/43/46/136044346.db2.gz BBEISQBHYQCZII-GDLVEWKHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CC[S@](=O)CC2(C)C)O1 ZINC000348185228 136044347 /nfs/dbraw/zinc/04/43/47/136044347.db2.gz BBEISQBHYQCZII-GDLVEWKHSA-N 1 2 245.388 1.397 20 0 BDADLO FC(F)[C@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000348221643 136047142 /nfs/dbraw/zinc/04/71/42/136047142.db2.gz KDWAUXDGASMNNA-JGVFFNPUSA-N 1 2 225.242 1.841 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCSC1 ZINC000335327285 136052287 /nfs/dbraw/zinc/05/22/87/136052287.db2.gz PDOMFWUOGPAHIW-JTQLQIEISA-N 1 2 236.340 1.894 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cccnc1 ZINC000348254372 136057223 /nfs/dbraw/zinc/05/72/23/136057223.db2.gz HXHMPKBGDGBBNW-UHFFFAOYSA-N 1 2 243.266 1.415 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CCCSCC1 ZINC000348480389 136080026 /nfs/dbraw/zinc/08/00/26/136080026.db2.gz QSAXDHGSXYPFNN-UHFFFAOYSA-N 1 2 244.339 1.187 20 0 BDADLO FCCn1ncnc1C[N@H+]1CCCSCC1 ZINC000348480389 136080027 /nfs/dbraw/zinc/08/00/27/136080027.db2.gz QSAXDHGSXYPFNN-UHFFFAOYSA-N 1 2 244.339 1.187 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)nn2C)[C@H]1C ZINC000335367530 136082128 /nfs/dbraw/zinc/08/21/28/136082128.db2.gz UPINXUWIUJOVGV-IUCAKERBSA-N 1 2 220.320 1.533 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)[C@H]1C ZINC000335367530 136082129 /nfs/dbraw/zinc/08/21/29/136082129.db2.gz UPINXUWIUJOVGV-IUCAKERBSA-N 1 2 220.320 1.533 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000335379022 136087128 /nfs/dbraw/zinc/08/71/28/136087128.db2.gz PPMIZELZMSWXQH-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000335379022 136087129 /nfs/dbraw/zinc/08/71/29/136087129.db2.gz PPMIZELZMSWXQH-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335558028 136100119 /nfs/dbraw/zinc/10/01/19/136100119.db2.gz JFBJWCNIHGTUEU-SNVBAGLBSA-N 1 2 235.331 1.608 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@H](C)c2ncnn2C)n1 ZINC000353238018 136100998 /nfs/dbraw/zinc/10/09/98/136100998.db2.gz UXNBEKFUPSJGKI-SECBINFHSA-N 1 2 247.302 1.075 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnns2)CCS1 ZINC000335570596 136109219 /nfs/dbraw/zinc/10/92/19/136109219.db2.gz PFQJMHGWGQWDGT-SSDOTTSWSA-N 1 2 215.347 1.475 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnns2)CCS1 ZINC000335570596 136109220 /nfs/dbraw/zinc/10/92/20/136109220.db2.gz PFQJMHGWGQWDGT-SSDOTTSWSA-N 1 2 215.347 1.475 20 0 BDADLO COC(=O)CN(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000048584168 322846364 /nfs/dbraw/zinc/84/63/64/322846364.db2.gz OFFVFBTVSKLYCW-UHFFFAOYSA-N 1 2 247.298 1.248 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CCOC2)s1 ZINC000680052022 487528702 /nfs/dbraw/zinc/52/87/02/487528702.db2.gz IGFUNFURCLHRKV-MRVPVSSYSA-N 1 2 227.333 1.321 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCOC2)s1 ZINC000680052022 487528705 /nfs/dbraw/zinc/52/87/05/487528705.db2.gz IGFUNFURCLHRKV-MRVPVSSYSA-N 1 2 227.333 1.321 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368456642 397783235 /nfs/dbraw/zinc/78/32/35/397783235.db2.gz BTUSIUFLQVXXMT-JTQLQIEISA-N 1 2 235.331 1.992 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000368456642 397783239 /nfs/dbraw/zinc/78/32/39/397783239.db2.gz BTUSIUFLQVXXMT-JTQLQIEISA-N 1 2 235.331 1.992 20 0 BDADLO CC[C@@H]1CCC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000388703395 397838118 /nfs/dbraw/zinc/83/81/18/397838118.db2.gz OKESGDCYWHWTFN-BDAKNGLRSA-N 1 2 221.308 1.583 20 0 BDADLO CC[C@@H]1CCC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000388703395 397838119 /nfs/dbraw/zinc/83/81/19/397838119.db2.gz OKESGDCYWHWTFN-BDAKNGLRSA-N 1 2 221.308 1.583 20 0 BDADLO CON(Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000183109760 397865562 /nfs/dbraw/zinc/86/55/62/397865562.db2.gz LDTZUUPNKSMNJI-UHFFFAOYSA-N 1 2 217.272 1.973 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H](C)CCO ZINC000650107255 397927239 /nfs/dbraw/zinc/92/72/39/397927239.db2.gz MHNHPRMRJRENCH-JTQLQIEISA-N 1 2 237.303 1.047 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc[nH]1 ZINC000649547529 397938541 /nfs/dbraw/zinc/93/85/41/397938541.db2.gz UPECBQWDGJGYNU-UHFFFAOYSA-N 1 2 230.315 1.789 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc[nH]1 ZINC000649547529 397938545 /nfs/dbraw/zinc/93/85/45/397938545.db2.gz UPECBQWDGJGYNU-UHFFFAOYSA-N 1 2 230.315 1.789 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H](C)Cn2cccn2)n1 ZINC000357767128 397941048 /nfs/dbraw/zinc/94/10/48/397941048.db2.gz KIQWPWOAGLKGNB-BDAKNGLRSA-N 1 2 235.291 1.314 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1cn[nH]c1 ZINC000649562647 397951343 /nfs/dbraw/zinc/95/13/43/397951343.db2.gz PFYVQKPKMAODFO-UHFFFAOYSA-N 1 2 223.305 1.202 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000649562647 397951344 /nfs/dbraw/zinc/95/13/44/397951344.db2.gz PFYVQKPKMAODFO-UHFFFAOYSA-N 1 2 223.305 1.202 20 0 BDADLO CCc1noc(C[NH2+][C@H]2COCC2(C)C)n1 ZINC000650165375 397952745 /nfs/dbraw/zinc/95/27/45/397952745.db2.gz UAGQTVMZBMAHAI-QMMMGPOBSA-N 1 2 225.292 1.147 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)no2)[C@@H](C)C1 ZINC000268715643 397953426 /nfs/dbraw/zinc/95/34/26/397953426.db2.gz USUOJOYIVYFVCQ-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)no2)[C@@H](C)C1 ZINC000268715643 397953430 /nfs/dbraw/zinc/95/34/30/397953430.db2.gz USUOJOYIVYFVCQ-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@@H](C)O ZINC000449270318 397953751 /nfs/dbraw/zinc/95/37/51/397953751.db2.gz QCMHGIIOUTWNDL-OPRDCNLKSA-N 1 2 231.336 1.323 20 0 BDADLO CCC[C@@](C)(NCc1c[nH+]c[nH]1)C(=O)OC ZINC000184045159 397954223 /nfs/dbraw/zinc/95/42/23/397954223.db2.gz YIZNEXDERIWLOI-LLVKDONJSA-N 1 2 225.292 1.231 20 0 BDADLO CCC[C@@](C)(NCc1c[nH]c[nH+]1)C(=O)OC ZINC000184045159 397954227 /nfs/dbraw/zinc/95/42/27/397954227.db2.gz YIZNEXDERIWLOI-LLVKDONJSA-N 1 2 225.292 1.231 20 0 BDADLO CCC[C@](C)(NCc1c[nH+]c[nH]1)C(=O)OC ZINC000184045140 397954292 /nfs/dbraw/zinc/95/42/92/397954292.db2.gz YIZNEXDERIWLOI-NSHDSACASA-N 1 2 225.292 1.231 20 0 BDADLO CCC[C@](C)(NCc1c[nH]c[nH+]1)C(=O)OC ZINC000184045140 397954295 /nfs/dbraw/zinc/95/42/95/397954295.db2.gz YIZNEXDERIWLOI-NSHDSACASA-N 1 2 225.292 1.231 20 0 BDADLO C[C@H](O)C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000111287543 397906731 /nfs/dbraw/zinc/90/67/31/397906731.db2.gz IMAVUBORZYCVIZ-JTQLQIEISA-N 1 2 243.347 1.421 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)C)CCO1 ZINC000590662185 397909043 /nfs/dbraw/zinc/90/90/43/397909043.db2.gz AXVDQQCEXPQSJK-SRVKXCTJSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](O)C1CC1 ZINC000271134986 397963366 /nfs/dbraw/zinc/96/33/66/397963366.db2.gz ODOVZFBDSAMEEC-NSHDSACASA-N 1 2 235.287 1.282 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccccn1 ZINC000264296432 397918052 /nfs/dbraw/zinc/91/80/52/397918052.db2.gz TWUDYOMYAYSAGN-UHFFFAOYSA-N 1 2 206.289 1.692 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccccn1 ZINC000264296432 397918057 /nfs/dbraw/zinc/91/80/57/397918057.db2.gz TWUDYOMYAYSAGN-UHFFFAOYSA-N 1 2 206.289 1.692 20 0 BDADLO Cc1[nH]c(C(=O)NCc2c(C)noc2C)c[nH+]1 ZINC000264689950 397923462 /nfs/dbraw/zinc/92/34/62/397923462.db2.gz MDLBSKNZBGERSE-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO CCCc1nc(C(=O)NCc2[nH+]ccn2C)co1 ZINC000273625864 397999099 /nfs/dbraw/zinc/99/90/99/397999099.db2.gz RHTSOWMEGUAOQC-UHFFFAOYSA-N 1 2 248.286 1.291 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000649618089 398000225 /nfs/dbraw/zinc/00/02/25/398000225.db2.gz KRULELCZYPEYGN-ZDUSSCGKSA-N 1 2 235.331 1.440 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000649618089 398000229 /nfs/dbraw/zinc/00/02/29/398000229.db2.gz KRULELCZYPEYGN-ZDUSSCGKSA-N 1 2 235.331 1.440 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cncc(C)c1)CC2 ZINC000372510748 398005945 /nfs/dbraw/zinc/00/59/45/398005945.db2.gz CIUQKMDZXJATJD-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cncc(C)c1)CC2 ZINC000372510748 398005948 /nfs/dbraw/zinc/00/59/48/398005948.db2.gz CIUQKMDZXJATJD-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO CCO[C@@H](CC)C(=O)Nc1c[nH+]ccc1OC ZINC000523310701 398028589 /nfs/dbraw/zinc/02/85/89/398028589.db2.gz RRHZLXKEOSHPAN-JTQLQIEISA-N 1 2 238.287 1.844 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000140645496 398028754 /nfs/dbraw/zinc/02/87/54/398028754.db2.gz BOAXLTSVKRXKNF-UWVGGRQHSA-N 1 2 237.303 1.546 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000451323421 397972216 /nfs/dbraw/zinc/97/22/16/397972216.db2.gz IDGYVXCTBCVYEX-MRVPVSSYSA-N 1 2 242.348 1.073 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000451323421 397972221 /nfs/dbraw/zinc/97/22/21/397972221.db2.gz IDGYVXCTBCVYEX-MRVPVSSYSA-N 1 2 242.348 1.073 20 0 BDADLO CC1(C[N@@H+]2CCCC(F)(F)C2)COC1 ZINC000649693933 398042192 /nfs/dbraw/zinc/04/21/92/398042192.db2.gz VLSIXUOOIYUSMV-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO CC1(C[N@H+]2CCCC(F)(F)C2)COC1 ZINC000649693933 398042197 /nfs/dbraw/zinc/04/21/97/398042197.db2.gz VLSIXUOOIYUSMV-UHFFFAOYSA-N 1 2 205.248 1.754 20 0 BDADLO Cc1ccnc(C[N@@H+](C(C)C)C2COC2)c1 ZINC000649694127 398042281 /nfs/dbraw/zinc/04/22/81/398042281.db2.gz OUHCIOWIYITBAP-UHFFFAOYSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@H+](C(C)C)C2COC2)c1 ZINC000649694127 398042285 /nfs/dbraw/zinc/04/22/85/398042285.db2.gz OUHCIOWIYITBAP-UHFFFAOYSA-N 1 2 220.316 1.999 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@H](C)[C@@H](C)O1 ZINC000649591040 397976901 /nfs/dbraw/zinc/97/69/01/397976901.db2.gz LJHPZDSCEXFURB-IJLUTSLNSA-N 1 2 249.358 1.827 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@H](C)[C@@H](C)O1 ZINC000649591040 397976903 /nfs/dbraw/zinc/97/69/03/397976903.db2.gz LJHPZDSCEXFURB-IJLUTSLNSA-N 1 2 249.358 1.827 20 0 BDADLO OC1(C[N@@H+]2CCCC(F)(F)C2)CCOCC1 ZINC000649694982 398043168 /nfs/dbraw/zinc/04/31/68/398043168.db2.gz CKQDZWLIKZERCJ-UHFFFAOYSA-N 1 2 235.274 1.259 20 0 BDADLO OC1(C[N@H+]2CCCC(F)(F)C2)CCOCC1 ZINC000649694982 398043171 /nfs/dbraw/zinc/04/31/71/398043171.db2.gz CKQDZWLIKZERCJ-UHFFFAOYSA-N 1 2 235.274 1.259 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2cccc(O)c2)[nH]1 ZINC000184622817 398043967 /nfs/dbraw/zinc/04/39/67/398043967.db2.gz JCLSYYYXHSSFGH-SECBINFHSA-N 1 2 246.314 1.924 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)nn2)[C@H](CC)CO1 ZINC000649718761 398060112 /nfs/dbraw/zinc/06/01/12/398060112.db2.gz FYQHTGITTAITDR-VXGBXAGGSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)nn2)[C@H](CC)CO1 ZINC000649718761 398060114 /nfs/dbraw/zinc/06/01/14/398060114.db2.gz FYQHTGITTAITDR-VXGBXAGGSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@@H](CC)CO1 ZINC000649719132 398061784 /nfs/dbraw/zinc/06/17/84/398061784.db2.gz MDTLDLUAAHXJGO-NWDGAFQWSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](CC)CO1 ZINC000649719132 398061785 /nfs/dbraw/zinc/06/17/85/398061785.db2.gz MDTLDLUAAHXJGO-NWDGAFQWSA-N 1 2 223.320 1.799 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCCC2(CC2)C1 ZINC000281672568 398061888 /nfs/dbraw/zinc/06/18/88/398061888.db2.gz TXTJEHNMSDPHPM-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649729890 398068346 /nfs/dbraw/zinc/06/83/46/398068346.db2.gz HMYTXVGFBZKVMB-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649729890 398068348 /nfs/dbraw/zinc/06/83/48/398068348.db2.gz HMYTXVGFBZKVMB-SRVKXCTJSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@H](C)CO1 ZINC000649732503 398072325 /nfs/dbraw/zinc/07/23/25/398072325.db2.gz YZDCXXFIFVILTE-PWSUYJOCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@H](C)CO1 ZINC000649732503 398072330 /nfs/dbraw/zinc/07/23/30/398072330.db2.gz YZDCXXFIFVILTE-PWSUYJOCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)[C@H](C)CO1 ZINC000649734552 398074835 /nfs/dbraw/zinc/07/48/35/398074835.db2.gz YJNIIQGRPBAKFQ-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)[C@H](C)CO1 ZINC000649734552 398074838 /nfs/dbraw/zinc/07/48/38/398074838.db2.gz YJNIIQGRPBAKFQ-YPMHNXCESA-N 1 2 237.347 1.728 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(N)=O)CCO2 ZINC000285648092 398078721 /nfs/dbraw/zinc/07/87/21/398078721.db2.gz SHGFQXFYUXIUPV-JTQLQIEISA-N 1 2 234.299 1.063 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(N)=O)CCO2 ZINC000285648092 398078722 /nfs/dbraw/zinc/07/87/22/398078722.db2.gz SHGFQXFYUXIUPV-JTQLQIEISA-N 1 2 234.299 1.063 20 0 BDADLO C[N@H+](Cc1sccc1Cl)[C@@H]1COC[C@H]1O ZINC000285657569 398079730 /nfs/dbraw/zinc/07/97/30/398079730.db2.gz SROLNIBEIHUPQY-RKDXNWHRSA-N 1 2 247.747 1.593 20 0 BDADLO C[N@@H+](Cc1sccc1Cl)[C@@H]1COC[C@H]1O ZINC000285657569 398079732 /nfs/dbraw/zinc/07/97/32/398079732.db2.gz SROLNIBEIHUPQY-RKDXNWHRSA-N 1 2 247.747 1.593 20 0 BDADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1csc(C)n1 ZINC000649741853 398080429 /nfs/dbraw/zinc/08/04/29/398080429.db2.gz GOADJKKYXBDQSN-WDEREUQCSA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1csc(C)n1 ZINC000649741853 398080431 /nfs/dbraw/zinc/08/04/31/398080431.db2.gz GOADJKKYXBDQSN-WDEREUQCSA-N 1 2 242.344 1.033 20 0 BDADLO CC(C)(C[C@H]1CCC[N@H+](CC(F)F)C1)C(N)=O ZINC000649773215 398095739 /nfs/dbraw/zinc/09/57/39/398095739.db2.gz SFWMRJXUWQWORY-SECBINFHSA-N 1 2 248.317 1.865 20 0 BDADLO CC(C)(C[C@H]1CCC[N@@H+](CC(F)F)C1)C(N)=O ZINC000649773215 398095742 /nfs/dbraw/zinc/09/57/42/398095742.db2.gz SFWMRJXUWQWORY-SECBINFHSA-N 1 2 248.317 1.865 20 0 BDADLO CCC[C@H](OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000517682311 398087727 /nfs/dbraw/zinc/08/77/27/398087727.db2.gz CHRDDWZNDLWZAW-LBPRGKRZSA-N 1 2 236.315 1.874 20 0 BDADLO C[N@H+](CCC1OCCCO1)Cc1cscn1 ZINC000085705529 398051709 /nfs/dbraw/zinc/05/17/09/398051709.db2.gz AICCMHFLQXEAQP-UHFFFAOYSA-N 1 2 242.344 1.728 20 0 BDADLO C[N@@H+](CCC1OCCCO1)Cc1cscn1 ZINC000085705529 398051712 /nfs/dbraw/zinc/05/17/12/398051712.db2.gz AICCMHFLQXEAQP-UHFFFAOYSA-N 1 2 242.344 1.728 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCOCC1(C)C ZINC000637963282 398055894 /nfs/dbraw/zinc/05/58/94/398055894.db2.gz AVPOVIMRRIESDN-LBPRGKRZSA-N 1 2 249.358 1.982 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CCOCC1(C)C ZINC000637963282 398055896 /nfs/dbraw/zinc/05/58/96/398055896.db2.gz AVPOVIMRRIESDN-LBPRGKRZSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@](C)(OC)C(=O)Nc1c[nH+]ccc1OC ZINC000280517431 398056735 /nfs/dbraw/zinc/05/67/35/398056735.db2.gz KGIRAWTVMFHFID-LBPRGKRZSA-N 1 2 238.287 1.844 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncccn2)[C@@H](CC)CO1 ZINC000649718002 398059116 /nfs/dbraw/zinc/05/91/16/398059116.db2.gz QBIYZHWXVFVTLC-NWDGAFQWSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncccn2)[C@@H](CC)CO1 ZINC000649718002 398059118 /nfs/dbraw/zinc/05/91/18/398059118.db2.gz QBIYZHWXVFVTLC-NWDGAFQWSA-N 1 2 235.331 1.866 20 0 BDADLO CC1=CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292437840 398100297 /nfs/dbraw/zinc/10/02/97/398100297.db2.gz VNLOZHPGWYVCSY-UHFFFAOYSA-N 1 2 234.303 1.282 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1CCCOCC1 ZINC000363437323 398100468 /nfs/dbraw/zinc/10/04/68/398100468.db2.gz WVHDXFYPJITEJI-UHFFFAOYSA-N 1 2 239.271 1.289 20 0 BDADLO COC(=O)c1occc1C[N@H+]1CCCOCC1 ZINC000363437323 398100473 /nfs/dbraw/zinc/10/04/73/398100473.db2.gz WVHDXFYPJITEJI-UHFFFAOYSA-N 1 2 239.271 1.289 20 0 BDADLO CC1(C)OCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000649792233 398102625 /nfs/dbraw/zinc/10/26/25/398102625.db2.gz MDUQMSMWBVOTEU-SSDOTTSWSA-N 1 2 247.751 1.849 20 0 BDADLO CCC[C@@H](C(=O)Nc1nnc(CC)[nH]1)[NH+](C)C ZINC000182294258 398103494 /nfs/dbraw/zinc/10/34/94/398103494.db2.gz HPUNCLOUIAHLEC-QMMMGPOBSA-N 1 2 239.323 1.036 20 0 BDADLO CCC[C@@H](C(=O)Nc1nc(CC)n[nH]1)[NH+](C)C ZINC000182294258 398103498 /nfs/dbraw/zinc/10/34/98/398103498.db2.gz HPUNCLOUIAHLEC-QMMMGPOBSA-N 1 2 239.323 1.036 20 0 BDADLO CCC[C@@H](C(=O)Nc1n[nH]c(CC)n1)[NH+](C)C ZINC000182294258 398103500 /nfs/dbraw/zinc/10/35/00/398103500.db2.gz HPUNCLOUIAHLEC-QMMMGPOBSA-N 1 2 239.323 1.036 20 0 BDADLO c1c(COc2cc[nH+]cc2)nn2c1CCC2 ZINC000650319953 398107591 /nfs/dbraw/zinc/10/75/91/398107591.db2.gz BCVWXKKUHDVPDA-UHFFFAOYSA-N 1 2 215.256 1.803 20 0 BDADLO COc1ccncc1C[NH2+]Cc1ccon1 ZINC000309235145 398117565 /nfs/dbraw/zinc/11/75/65/398117565.db2.gz UYLYOCNGGUIXBP-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO c1c[nH+]c(COCc2cc3n(n2)CCC3)[nH]1 ZINC000650322179 398111072 /nfs/dbraw/zinc/11/10/72/398111072.db2.gz KLVDAQOXGUIQQD-UHFFFAOYSA-N 1 2 218.260 1.269 20 0 BDADLO CCCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649209182 398129476 /nfs/dbraw/zinc/12/94/76/398129476.db2.gz FONHPHJOEBBIFB-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC2CCC2)CCO1 ZINC000066492607 398123151 /nfs/dbraw/zinc/12/31/51/398123151.db2.gz YHWXFKFMIXRMOQ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC2CCC2)CCO1 ZINC000066492607 398123155 /nfs/dbraw/zinc/12/31/55/398123155.db2.gz YHWXFKFMIXRMOQ-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCCN(CC)c1nc(C)[nH+]c(N)n1 ZINC000198624333 398132967 /nfs/dbraw/zinc/13/29/67/398132967.db2.gz WHCIWRGCUWCNGD-UHFFFAOYSA-N 1 2 209.297 1.389 20 0 BDADLO CCCCN(CC)c1nc(N)nc(C)[nH+]1 ZINC000198624333 398132970 /nfs/dbraw/zinc/13/29/70/398132970.db2.gz WHCIWRGCUWCNGD-UHFFFAOYSA-N 1 2 209.297 1.389 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)CCn1cccn1 ZINC000181456069 167021034 /nfs/dbraw/zinc/02/10/34/167021034.db2.gz DNHDWHMOVYBHCV-UHFFFAOYSA-N 1 2 239.319 1.014 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)CCn1cccn1 ZINC000181456069 167021036 /nfs/dbraw/zinc/02/10/36/167021036.db2.gz DNHDWHMOVYBHCV-UHFFFAOYSA-N 1 2 239.319 1.014 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370041058 167053721 /nfs/dbraw/zinc/05/37/21/167053721.db2.gz COYJSHPJUARQTP-CMPLNLGQSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370041058 167053723 /nfs/dbraw/zinc/05/37/23/167053723.db2.gz COYJSHPJUARQTP-CMPLNLGQSA-N 1 2 240.347 1.010 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000042227138 173580326 /nfs/dbraw/zinc/58/03/26/173580326.db2.gz DUALUIIPSZAFPY-QMMMGPOBSA-N 1 2 213.302 1.914 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)C(C)(C)O)[nH+]1 ZINC000674336834 487561498 /nfs/dbraw/zinc/56/14/98/487561498.db2.gz VWIKPTNAILCAGC-SSDOTTSWSA-N 1 2 234.303 1.838 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](CF)C1 ZINC000334830976 487563418 /nfs/dbraw/zinc/56/34/18/487563418.db2.gz VIBCNGDCYNHIGK-WDEREUQCSA-N 1 2 224.279 1.813 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](CF)C1 ZINC000334830976 487563423 /nfs/dbraw/zinc/56/34/23/487563423.db2.gz VIBCNGDCYNHIGK-WDEREUQCSA-N 1 2 224.279 1.813 20 0 BDADLO Cc1cccc(CN(C)c2cc(CO)cc[nH+]2)n1 ZINC000094923581 487563946 /nfs/dbraw/zinc/56/39/46/487563946.db2.gz GGWMUMUXWQBALX-UHFFFAOYSA-N 1 2 243.310 1.914 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCc1cn[nH]c1 ZINC000297941006 167168817 /nfs/dbraw/zinc/16/88/17/167168817.db2.gz VDQRYUAHOMUELX-SNVBAGLBSA-N 1 2 239.319 1.224 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCc1cn[nH]c1 ZINC000297941006 167168819 /nfs/dbraw/zinc/16/88/19/167168819.db2.gz VDQRYUAHOMUELX-SNVBAGLBSA-N 1 2 239.319 1.224 20 0 BDADLO FC1CN(Cc2c[nH+]c3ccccn23)C1 ZINC000680333575 487566761 /nfs/dbraw/zinc/56/67/61/487566761.db2.gz CCQUOFCJZLRHBT-UHFFFAOYSA-N 1 2 205.236 1.488 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC12CCC2 ZINC000530725466 322891364 /nfs/dbraw/zinc/89/13/64/322891364.db2.gz TZPVACPXHMKEQQ-UHFFFAOYSA-N 1 2 234.303 1.221 20 0 BDADLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC000674413428 487571653 /nfs/dbraw/zinc/57/16/53/487571653.db2.gz AYJZCFRKUPRKFR-VXGBXAGGSA-N 1 2 235.331 1.778 20 0 BDADLO CCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000074785466 487574825 /nfs/dbraw/zinc/57/48/25/487574825.db2.gz ALZDAWQLYLIPGF-UHFFFAOYSA-N 1 2 207.277 1.485 20 0 BDADLO CCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000074785466 487574830 /nfs/dbraw/zinc/57/48/30/487574830.db2.gz ALZDAWQLYLIPGF-UHFFFAOYSA-N 1 2 207.277 1.485 20 0 BDADLO COc1ccc(C[NH+]2CC(C(F)F)C2)cn1 ZINC000680363716 487574952 /nfs/dbraw/zinc/57/49/52/487574952.db2.gz GSSPCUZFFJJVMA-UHFFFAOYSA-N 1 2 228.242 1.787 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672154982 487575192 /nfs/dbraw/zinc/57/51/92/487575192.db2.gz VEGQWWDJMDZDRG-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO COC[C@H]1C[N@H+](Cc2oc(C)nc2C)CCO1 ZINC000670991174 487581992 /nfs/dbraw/zinc/58/19/92/487581992.db2.gz XWZMBWWXCPEOQI-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2oc(C)nc2C)CCO1 ZINC000670991174 487581996 /nfs/dbraw/zinc/58/19/96/487581996.db2.gz XWZMBWWXCPEOQI-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO c1nc(NC2CCN(c3cccc[nH+]3)CC2)c[nH]1 ZINC000685845892 487586434 /nfs/dbraw/zinc/58/64/34/487586434.db2.gz LHZFSYKIMUJIMH-UHFFFAOYSA-N 1 2 243.314 1.886 20 0 BDADLO CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000150129242 487587242 /nfs/dbraw/zinc/58/72/42/487587242.db2.gz WVDVZSKRKCHQBW-UHFFFAOYSA-N 1 2 234.303 1.111 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000685846789 487588430 /nfs/dbraw/zinc/58/84/30/487588430.db2.gz YIVCLDWWLCUXQS-QMMMGPOBSA-N 1 2 231.246 1.532 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000685846789 487588435 /nfs/dbraw/zinc/58/84/35/487588435.db2.gz YIVCLDWWLCUXQS-QMMMGPOBSA-N 1 2 231.246 1.532 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000685846789 487588440 /nfs/dbraw/zinc/58/84/40/487588440.db2.gz YIVCLDWWLCUXQS-QMMMGPOBSA-N 1 2 231.246 1.532 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000685846789 487588447 /nfs/dbraw/zinc/58/84/47/487588447.db2.gz YIVCLDWWLCUXQS-QMMMGPOBSA-N 1 2 231.246 1.532 20 0 BDADLO CC(C)OC[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000372117722 167264499 /nfs/dbraw/zinc/26/44/99/167264499.db2.gz VXFJEJXTBHQEFV-NSHDSACASA-N 1 2 239.319 1.036 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000685859985 487590493 /nfs/dbraw/zinc/59/04/93/487590493.db2.gz OMQNUQLWZIHCRJ-GFCCVEGCSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)OC[C@H](O)COc1cc[nH+]cc1 ZINC000356094381 167270128 /nfs/dbraw/zinc/27/01/28/167270128.db2.gz LDCCHVYGMAUQIP-JTQLQIEISA-N 1 2 211.261 1.246 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@H]2CCC(C)(C)O2)n1 ZINC000653889196 487608872 /nfs/dbraw/zinc/60/88/72/487608872.db2.gz UPBGRUWUKQEWRK-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@H]2CCC(C)(C)O2)n1 ZINC000653889196 487608874 /nfs/dbraw/zinc/60/88/74/487608874.db2.gz UPBGRUWUKQEWRK-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO C[C@H]1C[C@@H](C[N@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843488 409835676 /nfs/dbraw/zinc/83/56/76/409835676.db2.gz ZFMADTSJPSGDLS-IUCAKERBSA-N 1 2 241.291 1.022 20 0 BDADLO C[C@H]1C[C@@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843488 409835683 /nfs/dbraw/zinc/83/56/83/409835683.db2.gz ZFMADTSJPSGDLS-IUCAKERBSA-N 1 2 241.291 1.022 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660843250 409837341 /nfs/dbraw/zinc/83/73/41/409837341.db2.gz FVLMOUYKIXAESH-BBBLOLIVSA-N 1 2 237.303 1.643 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660843250 409837348 /nfs/dbraw/zinc/83/73/48/409837348.db2.gz FVLMOUYKIXAESH-BBBLOLIVSA-N 1 2 237.303 1.643 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843489 409837382 /nfs/dbraw/zinc/83/73/82/409837382.db2.gz ZFMADTSJPSGDLS-RKDXNWHRSA-N 1 2 241.291 1.022 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+](C)Cc2n[nH]c(=O)o2)CCO1 ZINC000660843489 409837387 /nfs/dbraw/zinc/83/73/87/409837387.db2.gz ZFMADTSJPSGDLS-RKDXNWHRSA-N 1 2 241.291 1.022 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C1CCC1 ZINC000660844892 409843527 /nfs/dbraw/zinc/84/35/27/409843527.db2.gz WPLSUZONJFEPMF-VIFPVBQESA-N 1 2 241.291 1.022 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C1CCC1 ZINC000660844892 409843533 /nfs/dbraw/zinc/84/35/33/409843533.db2.gz WPLSUZONJFEPMF-VIFPVBQESA-N 1 2 241.291 1.022 20 0 BDADLO Cc1cnccc1CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844693 409844022 /nfs/dbraw/zinc/84/40/22/409844022.db2.gz SWDFJCNXOAEOGY-UHFFFAOYSA-N 1 2 248.286 1.153 20 0 BDADLO Cc1cnccc1CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844693 409844031 /nfs/dbraw/zinc/84/40/31/409844031.db2.gz SWDFJCNXOAEOGY-UHFFFAOYSA-N 1 2 248.286 1.153 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CCN(C(=O)C3CC3)C2)CO1 ZINC000660835467 409817292 /nfs/dbraw/zinc/81/72/92/409817292.db2.gz JBZPZZIWMYLUJP-NSHDSACASA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CCN(C(=O)C3CC3)C2)CO1 ZINC000660835467 409817297 /nfs/dbraw/zinc/81/72/97/409817297.db2.gz JBZPZZIWMYLUJP-NSHDSACASA-N 1 2 238.331 1.066 20 0 BDADLO CCn1nccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403508 410209275 /nfs/dbraw/zinc/20/92/75/410209275.db2.gz QWWQVIGDNGVHLB-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)co1 ZINC000661169375 410316751 /nfs/dbraw/zinc/31/67/51/410316751.db2.gz AWDUXEVBJBLKGU-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@](C)(C3CC3)C2)co1 ZINC000661169375 410316759 /nfs/dbraw/zinc/31/67/59/410316759.db2.gz AWDUXEVBJBLKGU-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO CC[N@@H+]1CCN(c2cc[nH+]c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000650769714 410419048 /nfs/dbraw/zinc/41/90/48/410419048.db2.gz CELQTOPVIRMYNA-JTQLQIEISA-N 1 2 249.314 1.310 20 0 BDADLO CC[N@H+]1CCN(c2cc[nH+]c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000650769714 410419050 /nfs/dbraw/zinc/41/90/50/410419050.db2.gz CELQTOPVIRMYNA-JTQLQIEISA-N 1 2 249.314 1.310 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](O)C23CCC3)cc[nH+]1 ZINC000664467461 410588089 /nfs/dbraw/zinc/58/80/89/410588089.db2.gz RWFRDMAQZXGRNU-VHSXEESVSA-N 1 2 219.288 1.500 20 0 BDADLO CCO[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000664280197 410550026 /nfs/dbraw/zinc/55/00/26/410550026.db2.gz KCBXUOVKASPWEF-MGCOHNPYSA-N 1 2 207.277 1.764 20 0 BDADLO CCc1nc(N(C)Cc2nnc(C)o2)cc(C)[nH+]1 ZINC000664295005 410551895 /nfs/dbraw/zinc/55/18/95/410551895.db2.gz CSCHZMBHTWSJKT-UHFFFAOYSA-N 1 2 247.302 1.675 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CC12CC2)c1[nH+]ccn1C ZINC000661337595 410555132 /nfs/dbraw/zinc/55/51/32/410555132.db2.gz SQDLNIBWNDVQFE-BDAKNGLRSA-N 1 2 234.303 1.333 20 0 BDADLO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000661421081 410640639 /nfs/dbraw/zinc/64/06/39/410640639.db2.gz AOXNGWNSZAEQLQ-DTWKUNHWSA-N 1 2 241.360 1.708 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CC[C@@H](O)C1 ZINC000650946380 410641473 /nfs/dbraw/zinc/64/14/73/410641473.db2.gz UVLFHLOLYLGOQR-NXEZZACHSA-N 1 2 249.314 1.319 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cncn1C ZINC000661467602 410686671 /nfs/dbraw/zinc/68/66/71/410686671.db2.gz WEOQEYNCCWWFTB-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cncn1C ZINC000661467602 410686675 /nfs/dbraw/zinc/68/66/75/410686675.db2.gz WEOQEYNCCWWFTB-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1COC2(CCC2)CN1Cc1c[nH+]cn1C ZINC000661467602 410686682 /nfs/dbraw/zinc/68/66/82/410686682.db2.gz WEOQEYNCCWWFTB-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000651019446 410754432 /nfs/dbraw/zinc/75/44/32/410754432.db2.gz CNQGIFUASZQUTP-JTQLQIEISA-N 1 2 247.342 1.677 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651105487 410811307 /nfs/dbraw/zinc/81/13/07/410811307.db2.gz ZODBEPHMOFGVCI-GHMZBOCLSA-N 1 2 247.342 1.534 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295049261 166995696 /nfs/dbraw/zinc/99/56/96/166995696.db2.gz BACOANFYEYPTFX-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295049261 166995700 /nfs/dbraw/zinc/99/57/00/166995700.db2.gz BACOANFYEYPTFX-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000337342860 167036815 /nfs/dbraw/zinc/03/68/15/167036815.db2.gz WVIALFLGXUQKCC-UHFFFAOYSA-N 1 2 234.290 1.488 20 0 BDADLO CC(C)NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118848379 167058455 /nfs/dbraw/zinc/05/84/55/167058455.db2.gz CQUXUJZXKOCHCX-UHFFFAOYSA-N 1 2 241.360 1.492 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)Cc1cnccn1 ZINC000651302504 410910876 /nfs/dbraw/zinc/91/08/76/410910876.db2.gz SCGRQGSSGKZQCE-JTQLQIEISA-N 1 2 244.298 1.923 20 0 BDADLO CC(C)OC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000130084412 167169980 /nfs/dbraw/zinc/16/99/80/167169980.db2.gz JNMTXZGRWIQEEO-JTQLQIEISA-N 1 2 239.319 1.192 20 0 BDADLO CC(C)OCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362064018 167236826 /nfs/dbraw/zinc/23/68/26/167236826.db2.gz IUQGBMRHNLFNKQ-HBYGRHMLSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)OCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362064018 167236830 /nfs/dbraw/zinc/23/68/30/167236830.db2.gz IUQGBMRHNLFNKQ-HBYGRHMLSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)ONC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000297495791 167275817 /nfs/dbraw/zinc/27/58/17/167275817.db2.gz BIJZNUVBIFRFRL-UHFFFAOYSA-N 1 2 248.286 1.474 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264983453 167353078 /nfs/dbraw/zinc/35/30/78/167353078.db2.gz IWYRQXISJVWRMT-WDEREUQCSA-N 1 2 223.320 1.680 20 0 BDADLO CC(C)[C@@H](C)CC(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000363627891 167358759 /nfs/dbraw/zinc/35/87/59/167358759.db2.gz PZGRPFNSOSLTMS-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CCc1cc(NCC2=CCOCC2)nc[nH+]1 ZINC000397795540 410932569 /nfs/dbraw/zinc/93/25/69/410932569.db2.gz UTLQMADWRDHAGI-UHFFFAOYSA-N 1 2 219.288 1.220 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1ccon1)n1cc[nH+]c1 ZINC000651375934 410959331 /nfs/dbraw/zinc/95/93/31/410959331.db2.gz SOYBDYKQGQRWSW-JTQLQIEISA-N 1 2 248.286 1.481 20 0 BDADLO COC[C@H]1C[C@@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000651417939 410999386 /nfs/dbraw/zinc/99/93/86/410999386.db2.gz LHOAPOLMPURHLE-NXEZZACHSA-N 1 2 247.298 1.149 20 0 BDADLO OC[C@H](CCF)Nc1ccc2ccccc2[nH+]1 ZINC000651462430 411045017 /nfs/dbraw/zinc/04/50/17/411045017.db2.gz ZXBDVQFOJUGLRC-NSHDSACASA-N 1 2 234.274 1.789 20 0 BDADLO CCc1cc(N[C@@H](CO)CCF)nc[nH+]1 ZINC000651461625 411045235 /nfs/dbraw/zinc/04/52/35/411045235.db2.gz DFTCEFRSJDDTOM-SECBINFHSA-N 1 2 213.256 1.171 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000651463743 411048077 /nfs/dbraw/zinc/04/80/77/411048077.db2.gz YMIAMKQRTYMYMR-LDYMZIIASA-N 1 2 223.320 1.794 20 0 BDADLO C[C@H](CCO)N(C)c1[nH+]c2ccccc2n1C ZINC000651470931 411051213 /nfs/dbraw/zinc/05/12/13/411051213.db2.gz DICLTPXWNLNINB-SNVBAGLBSA-N 1 2 233.315 1.780 20 0 BDADLO CN(Cc1cscn1)c1cc(CO)cc[nH+]1 ZINC000042867594 411051830 /nfs/dbraw/zinc/05/18/30/411051830.db2.gz ZWSOPKCHPLZRHV-UHFFFAOYSA-N 1 2 235.312 1.667 20 0 BDADLO Cc1ccc(NC(=O)N2CC(CO)C2)c(C)[nH+]1 ZINC000192235001 411063475 /nfs/dbraw/zinc/06/34/75/411063475.db2.gz XZWMUVGDNAFKPR-UHFFFAOYSA-N 1 2 235.287 1.154 20 0 BDADLO CCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000106013912 411081719 /nfs/dbraw/zinc/08/17/19/411081719.db2.gz DASBZVSMINRSSD-UHFFFAOYSA-N 1 2 232.287 1.466 20 0 BDADLO CCC1(CC)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661673329 411141590 /nfs/dbraw/zinc/14/15/90/411141590.db2.gz UFDJLUGREWIYFQ-UHFFFAOYSA-N 1 2 238.335 1.913 20 0 BDADLO CCC1(CC)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000661673329 411141591 /nfs/dbraw/zinc/14/15/91/411141591.db2.gz UFDJLUGREWIYFQ-UHFFFAOYSA-N 1 2 238.335 1.913 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](C)[C@H](C)CO)no1 ZINC000309549841 167665937 /nfs/dbraw/zinc/66/59/37/167665937.db2.gz HVSDKMKWWHULCP-RKDXNWHRSA-N 1 2 227.308 1.300 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCCOC2)c1 ZINC000652068531 411105431 /nfs/dbraw/zinc/10/54/31/411105431.db2.gz GNZPZEAHCWFLMW-LLVKDONJSA-N 1 2 222.288 1.819 20 0 BDADLO C[C@H]1C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000047976205 411170571 /nfs/dbraw/zinc/17/05/71/411170571.db2.gz VSJRNTKCQRENGI-DTWKUNHWSA-N 1 2 219.288 1.742 20 0 BDADLO CCC[C@@](C)(O)CNc1nc[nH+]c(C)c1OC ZINC000656125465 411183035 /nfs/dbraw/zinc/18/30/35/411183035.db2.gz OGROOJAJHAXYOP-GFCCVEGCSA-N 1 2 239.319 1.757 20 0 BDADLO Cc1nnc(C[NH2+][C@H]2CCCn3nccc32)s1 ZINC000657971256 411183430 /nfs/dbraw/zinc/18/34/30/411183430.db2.gz IQQOSVDREPGKIG-VIFPVBQESA-N 1 2 249.343 1.668 20 0 BDADLO CC[C@@H](CCO)CNc1nc[nH+]c(C)c1OC ZINC000656145384 411186026 /nfs/dbraw/zinc/18/60/26/411186026.db2.gz SPRUAKNOPZJNIR-JTQLQIEISA-N 1 2 239.319 1.614 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@H](C(C)C)C1 ZINC000656152831 411186862 /nfs/dbraw/zinc/18/68/62/411186862.db2.gz JCAQAYBQVOFTDD-LBPRGKRZSA-N 1 2 235.331 1.955 20 0 BDADLO CC[C@H]1CN(c2nc(C)[nH+]cc2C)C[C@@H]1O ZINC000656149963 411186949 /nfs/dbraw/zinc/18/69/49/411186949.db2.gz AMMXPGRXZQCAHJ-QWRGUYRKSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H](O)C2(CC2)C1 ZINC000656165303 411189632 /nfs/dbraw/zinc/18/96/32/411189632.db2.gz QFLLQTDKUOGQRL-JTQLQIEISA-N 1 2 219.288 1.055 20 0 BDADLO COc1c(C)[nH+]cnc1NCCOCC(F)F ZINC000656175858 411193099 /nfs/dbraw/zinc/19/30/99/411193099.db2.gz PITUPDPQZFIAAZ-UHFFFAOYSA-N 1 2 247.245 1.487 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC[C@H](C)O ZINC000656182296 411194190 /nfs/dbraw/zinc/19/41/90/411194190.db2.gz ZJIULUULJMBJEM-QMMMGPOBSA-N 1 2 225.292 1.367 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](Cc1ccnn1C)C2 ZINC000653834308 411196385 /nfs/dbraw/zinc/19/63/85/411196385.db2.gz UBOMPJJTHHVMFK-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO COc1ccc2c(c1)C[N@H+](Cc1ccnn1C)C2 ZINC000653834308 411196386 /nfs/dbraw/zinc/19/63/86/411196386.db2.gz UBOMPJJTHHVMFK-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO COCC[C@@H](COC)Nc1nc(C)[nH+]cc1C ZINC000656189055 411197490 /nfs/dbraw/zinc/19/74/90/411197490.db2.gz PFCABDGEUOVTJG-NSHDSACASA-N 1 2 239.319 1.557 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@](C)(F)C1 ZINC000656192598 411198173 /nfs/dbraw/zinc/19/81/73/411198173.db2.gz IAJIIXMJEVAKCL-NSHDSACASA-N 1 2 240.282 1.396 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@](C)(F)C1 ZINC000656192598 411198174 /nfs/dbraw/zinc/19/81/74/411198174.db2.gz IAJIIXMJEVAKCL-NSHDSACASA-N 1 2 240.282 1.396 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CC12CCOCC2 ZINC000656196909 411202191 /nfs/dbraw/zinc/20/21/91/411202191.db2.gz UPCVIMLKOCYFNL-JTQLQIEISA-N 1 2 249.314 1.775 20 0 BDADLO CCc1ncc(CNc2nc[nH+]c(C)c2OC)o1 ZINC000656197145 411202229 /nfs/dbraw/zinc/20/22/29/411202229.db2.gz IQHZDKOXMXLDKD-UHFFFAOYSA-N 1 2 248.286 1.956 20 0 BDADLO c1cc2n(n1)CCC[C@H]2[NH2+][C@H]1CCn2ccnc21 ZINC000658024603 411202574 /nfs/dbraw/zinc/20/25/74/411202574.db2.gz MNOIAXPQYFGIJF-MNOVXSKESA-N 1 2 243.314 1.649 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000658027357 411204525 /nfs/dbraw/zinc/20/45/25/411204525.db2.gz LTMSBFYJBASWQZ-LLVKDONJSA-N 1 2 245.330 1.724 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@@H](O)C(C)(C)C)n1 ZINC000653889106 411209617 /nfs/dbraw/zinc/20/96/17/411209617.db2.gz RBQPTSDDYZZWGJ-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@@H](O)C(C)(C)C)n1 ZINC000653889106 411209621 /nfs/dbraw/zinc/20/96/21/411209621.db2.gz RBQPTSDDYZZWGJ-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO c1ccc(NCc2nc([C@@H]3CCCO3)n[nH]2)[nH+]c1 ZINC000656207885 411210412 /nfs/dbraw/zinc/21/04/12/411210412.db2.gz GVQFRKAQOQZBCI-VIFPVBQESA-N 1 2 245.286 1.663 20 0 BDADLO CC(C)c1noc(C[N@@H+](C[C@H](C)O)C2CC2)n1 ZINC000653896547 411213295 /nfs/dbraw/zinc/21/32/95/411213295.db2.gz BOGHQKZSQAAANX-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1noc(C[N@H+](C[C@H](C)O)C2CC2)n1 ZINC000653896547 411213300 /nfs/dbraw/zinc/21/33/00/411213300.db2.gz BOGHQKZSQAAANX-VIFPVBQESA-N 1 2 239.319 1.538 20 0 BDADLO C[C@H](O)CN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000656230165 411216935 /nfs/dbraw/zinc/21/69/35/411216935.db2.gz ONPVBBVCRXEJKY-VIFPVBQESA-N 1 2 233.315 1.704 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCNC2=O)c(C)s1 ZINC000658053114 411219790 /nfs/dbraw/zinc/21/97/90/411219790.db2.gz SRHNTPWQPHOBKB-RCOVLWMOSA-N 1 2 239.344 1.299 20 0 BDADLO Cc1nocc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265326 411220371 /nfs/dbraw/zinc/22/03/71/411220371.db2.gz JJWHJSLYACGLQZ-UHFFFAOYSA-N 1 2 214.215 1.824 20 0 BDADLO Cc1nn(C)cc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265824 411221245 /nfs/dbraw/zinc/22/12/45/411221245.db2.gz JZIYKGSVIIFKIK-UHFFFAOYSA-N 1 2 227.258 1.570 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)nc(C)n1 ZINC000660091770 411228120 /nfs/dbraw/zinc/22/81/20/411228120.db2.gz KZMCGNRGTRRYPI-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)nc(C)n1 ZINC000660091770 411228123 /nfs/dbraw/zinc/22/81/23/411228123.db2.gz KZMCGNRGTRRYPI-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CCN(C(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000660101647 411231665 /nfs/dbraw/zinc/23/16/65/411231665.db2.gz RLWNTGLOFWHOIH-JTQLQIEISA-N 1 2 238.335 1.921 20 0 BDADLO CC(C)N(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660103130 411231739 /nfs/dbraw/zinc/23/17/39/411231739.db2.gz YSKISEBLHCSKNI-SECBINFHSA-N 1 2 224.308 1.531 20 0 BDADLO COC(C)(C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652412675 411234102 /nfs/dbraw/zinc/23/41/02/411234102.db2.gz OFEVTKLXRLICJN-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO CC1([NH2+]Cc2cc3n(n2)CCCC3)COC1 ZINC000639381224 411234940 /nfs/dbraw/zinc/23/49/40/411234940.db2.gz SXSABWPQVGNSJN-UHFFFAOYSA-N 1 2 221.304 1.098 20 0 BDADLO Cn1cc[nH+]c1-c1ccccc1OCCO ZINC000656371625 411236614 /nfs/dbraw/zinc/23/66/14/411236614.db2.gz LFZIJWSSJCWTTC-UHFFFAOYSA-N 1 2 218.256 1.458 20 0 BDADLO C[C@@H](CC[NH+](C)C)Nc1[nH+]cccc1C(=O)[O-] ZINC000049560472 411240196 /nfs/dbraw/zinc/24/01/96/411240196.db2.gz CENFFICHTNTBFD-VIFPVBQESA-N 1 2 237.303 1.532 20 0 BDADLO COCC[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000656456162 411265301 /nfs/dbraw/zinc/26/53/01/411265301.db2.gz SAWMLWOZZUZXLT-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000656456162 411265304 /nfs/dbraw/zinc/26/53/04/411265304.db2.gz SAWMLWOZZUZXLT-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO CC[C@H]1CC[C@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156917 411270403 /nfs/dbraw/zinc/27/04/03/411270403.db2.gz MXYAHFKGWKSDIC-DTWKUNHWSA-N 1 2 224.308 1.229 20 0 BDADLO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159057 411272709 /nfs/dbraw/zinc/27/27/09/411272709.db2.gz NBISZHZZKZYUMB-NXEZZACHSA-N 1 2 238.335 1.619 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC12CCCC2 ZINC000652567387 411273054 /nfs/dbraw/zinc/27/30/54/411273054.db2.gz UJIJATRYFUSXRS-UHFFFAOYSA-N 1 2 219.288 1.428 20 0 BDADLO COCc1cc(CNc2c[nH+]ccc2OC)no1 ZINC000656508275 411288704 /nfs/dbraw/zinc/28/87/04/411288704.db2.gz MSTATAHQDMRYSG-UHFFFAOYSA-N 1 2 249.270 1.837 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@]12C[C@H]1CCC2 ZINC000656540325 411294131 /nfs/dbraw/zinc/29/41/31/411294131.db2.gz ZSMLQKWVLDYFPH-DGCLKSJQSA-N 1 2 248.330 1.515 20 0 BDADLO CSc1ccnc(NCCc2cn(C)c[nH+]2)n1 ZINC000313481659 411309934 /nfs/dbraw/zinc/30/99/34/411309934.db2.gz MEJGCCIWPVRZKS-UHFFFAOYSA-N 1 2 249.343 1.587 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000659832155 411314010 /nfs/dbraw/zinc/31/40/10/411314010.db2.gz XZNIVOYFCKRMJV-GFCCVEGCSA-N 1 2 249.314 1.392 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000659832155 411314012 /nfs/dbraw/zinc/31/40/12/411314012.db2.gz XZNIVOYFCKRMJV-GFCCVEGCSA-N 1 2 249.314 1.392 20 0 BDADLO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccn(C)n2)C1 ZINC000658287163 411323672 /nfs/dbraw/zinc/32/36/72/411323672.db2.gz WVUBZJAIGFPGHX-NWDGAFQWSA-N 1 2 236.363 1.555 20 0 BDADLO c1csc(-n2cc(C[NH+]3CCCC3)nn2)n1 ZINC000656440678 411258810 /nfs/dbraw/zinc/25/88/10/411258810.db2.gz YIUNFJSBWNGVKA-UHFFFAOYSA-N 1 2 235.316 1.320 20 0 BDADLO CC(C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000656442453 411261177 /nfs/dbraw/zinc/26/11/77/411261177.db2.gz NSEDDIUXHMUHIK-UHFFFAOYSA-N 1 2 219.292 1.569 20 0 BDADLO CCn1cc[nH+]c1CNc1nnc(C2CC2)n1C ZINC000656777448 411356014 /nfs/dbraw/zinc/35/60/14/411356014.db2.gz OWZANAVJRGSBGX-UHFFFAOYSA-N 1 2 246.318 1.521 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000403746666 411356880 /nfs/dbraw/zinc/35/68/80/411356880.db2.gz DHQZUHHZYLTGQF-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000403746666 411356884 /nfs/dbraw/zinc/35/68/84/411356884.db2.gz DHQZUHHZYLTGQF-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO c1cnc2c(n1)CC[N@@H+](CCOCC1CCC1)C2 ZINC000662119117 411362694 /nfs/dbraw/zinc/36/26/94/411362694.db2.gz KUAIDQVUTSDCDX-UHFFFAOYSA-N 1 2 247.342 1.651 20 0 BDADLO c1cnc2c(n1)CC[N@H+](CCOCC1CCC1)C2 ZINC000662119117 411362697 /nfs/dbraw/zinc/36/26/97/411362697.db2.gz KUAIDQVUTSDCDX-UHFFFAOYSA-N 1 2 247.342 1.651 20 0 BDADLO COc1cc[nH+]cc1NCc1cnn2c1CCC2 ZINC000656769556 411363029 /nfs/dbraw/zinc/36/30/29/411363029.db2.gz FODVXOSXZVNMAI-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661966457 411334069 /nfs/dbraw/zinc/33/40/69/411334069.db2.gz IKLNBVMWGMYRCI-UWVGGRQHSA-N 1 2 220.320 1.770 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000661966457 411334071 /nfs/dbraw/zinc/33/40/71/411334071.db2.gz IKLNBVMWGMYRCI-UWVGGRQHSA-N 1 2 220.320 1.770 20 0 BDADLO c1[nH+]cn2c1CN(CCOCC1CCC1)CC2 ZINC000660583826 411337660 /nfs/dbraw/zinc/33/76/60/411337660.db2.gz MRBMDWYJUGYKBB-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000656704724 411339206 /nfs/dbraw/zinc/33/92/06/411339206.db2.gz KGGXNJBPYZHPSU-MRVPVSSYSA-N 1 2 233.233 1.888 20 0 BDADLO CCN1CC[C@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000659851130 411342726 /nfs/dbraw/zinc/34/27/26/411342726.db2.gz FPOHZWHRQSKLCW-NSHDSACASA-N 1 2 222.288 1.332 20 0 BDADLO CCN1CC[C@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000659851130 411342727 /nfs/dbraw/zinc/34/27/27/411342727.db2.gz FPOHZWHRQSKLCW-NSHDSACASA-N 1 2 222.288 1.332 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000659852152 411343256 /nfs/dbraw/zinc/34/32/56/411343256.db2.gz KKANFOMHUFQKLS-LBPRGKRZSA-N 1 2 249.314 1.262 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000659852152 411343257 /nfs/dbraw/zinc/34/32/57/411343257.db2.gz KKANFOMHUFQKLS-LBPRGKRZSA-N 1 2 249.314 1.262 20 0 BDADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nccn1C(F)F ZINC000335629983 168000582 /nfs/dbraw/zinc/00/05/82/168000582.db2.gz DBWSMOKIMOOVIQ-QMMMGPOBSA-N 1 2 245.273 1.623 20 0 BDADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1nccn1C(F)F ZINC000335629983 168000584 /nfs/dbraw/zinc/00/05/84/168000584.db2.gz DBWSMOKIMOOVIQ-QMMMGPOBSA-N 1 2 245.273 1.623 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@@H]21 ZINC000080586351 168011696 /nfs/dbraw/zinc/01/16/96/168011696.db2.gz BGEBKFHJKUPXDP-PHIMTYICSA-N 1 2 248.330 1.181 20 0 BDADLO CC1(C)[C@@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000192320777 168013554 /nfs/dbraw/zinc/01/35/54/168013554.db2.gz SVMFNTDNSRWDAK-KNVOCYPGSA-N 1 2 238.722 1.804 20 0 BDADLO CC1(C)[C@@H]2CN(c3[nH+]cnc(N)c3Cl)C[C@@H]21 ZINC000192320777 168013555 /nfs/dbraw/zinc/01/35/55/168013555.db2.gz SVMFNTDNSRWDAK-KNVOCYPGSA-N 1 2 238.722 1.804 20 0 BDADLO CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000366232632 168019358 /nfs/dbraw/zinc/01/93/58/168019358.db2.gz PAXAEXASWKLYGQ-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000280701062 168097879 /nfs/dbraw/zinc/09/78/79/168097879.db2.gz CJLHYAMTQGZFAV-UHFFFAOYSA-N 1 2 211.305 1.838 20 0 BDADLO CC1=CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000280701062 168097881 /nfs/dbraw/zinc/09/78/81/168097881.db2.gz CJLHYAMTQGZFAV-UHFFFAOYSA-N 1 2 211.305 1.838 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC=C(C)C2)no1 ZINC000280926613 168098000 /nfs/dbraw/zinc/09/80/00/168098000.db2.gz UTARCDOOMWAUJU-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC=C(C)C2)no1 ZINC000280926613 168098002 /nfs/dbraw/zinc/09/80/02/168098002.db2.gz UTARCDOOMWAUJU-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(C)C2)on1 ZINC000280708046 168099743 /nfs/dbraw/zinc/09/97/43/168099743.db2.gz DCPYLBZYIOYQJF-LLVKDONJSA-N 1 2 249.314 1.962 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC=C(C)C2)on1 ZINC000280708046 168099746 /nfs/dbraw/zinc/09/97/46/168099746.db2.gz DCPYLBZYIOYQJF-LLVKDONJSA-N 1 2 249.314 1.962 20 0 BDADLO CCOCC[N@H+](CC)Cc1coc(C)n1 ZINC000659908028 411379576 /nfs/dbraw/zinc/37/95/76/411379576.db2.gz FFRGRKUEVDIDQN-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO CCOCC[N@@H+](CC)Cc1coc(C)n1 ZINC000659908028 411379577 /nfs/dbraw/zinc/37/95/77/411379577.db2.gz FFRGRKUEVDIDQN-UHFFFAOYSA-N 1 2 212.293 1.841 20 0 BDADLO CC1=CC[N@H+](Cc2nc(C3CC3)nn2C)CC1 ZINC000335464585 168114843 /nfs/dbraw/zinc/11/48/43/168114843.db2.gz WGRZAOLTRCOLJM-UHFFFAOYSA-N 1 2 232.331 1.845 20 0 BDADLO CC1=CC[N@@H+](Cc2nc(C3CC3)nn2C)CC1 ZINC000335464585 168114846 /nfs/dbraw/zinc/11/48/46/168114846.db2.gz WGRZAOLTRCOLJM-UHFFFAOYSA-N 1 2 232.331 1.845 20 0 BDADLO CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000336406317 168171177 /nfs/dbraw/zinc/17/11/77/168171177.db2.gz PWPLTAJSKKXDPD-UHFFFAOYSA-N 1 2 235.331 1.946 20 0 BDADLO FC(F)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000656916357 411387909 /nfs/dbraw/zinc/38/79/09/411387909.db2.gz MDHRRFHIQNYDBZ-RKDXNWHRSA-N 1 2 217.259 1.752 20 0 BDADLO FC(F)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000656916357 411387912 /nfs/dbraw/zinc/38/79/12/411387912.db2.gz MDHRRFHIQNYDBZ-RKDXNWHRSA-N 1 2 217.259 1.752 20 0 BDADLO CCC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000070245192 168231054 /nfs/dbraw/zinc/23/10/54/168231054.db2.gz TYDVOHDHQYYLPW-UHFFFAOYSA-N 1 2 231.299 1.871 20 0 BDADLO Cc1noc(C(=O)NCc2c[nH+]c(C)cc2C)n1 ZINC000654380145 411382974 /nfs/dbraw/zinc/38/29/74/411382974.db2.gz IIGMSHJVNRAUDE-UHFFFAOYSA-N 1 2 246.270 1.320 20 0 BDADLO CCC(C)(C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000089099714 168292837 /nfs/dbraw/zinc/29/28/37/168292837.db2.gz XTHKHGZDNVWPLL-JTQLQIEISA-N 1 2 238.335 1.759 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2c[nH]nc2C)n1 ZINC000657310233 411459089 /nfs/dbraw/zinc/45/90/89/411459089.db2.gz XFWDWSFKIXBPCA-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1cscn1 ZINC000491302452 411392392 /nfs/dbraw/zinc/39/23/92/411392392.db2.gz ASYKQXPWRCKCOC-IHWYPQMZSA-N 1 2 245.307 1.920 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C)CC=CC1 ZINC000654427046 411393794 /nfs/dbraw/zinc/39/37/94/411393794.db2.gz WGDNDVXQWAXMTR-UHFFFAOYSA-N 1 2 234.303 1.328 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](F)C1 ZINC000653013442 411395415 /nfs/dbraw/zinc/39/54/15/411395415.db2.gz RFQKNNYOGAJKJJ-LLVKDONJSA-N 1 2 239.294 1.624 20 0 BDADLO COC[C@H]([NH2+]Cc1ccn(C)n1)c1ccco1 ZINC000266945419 411419418 /nfs/dbraw/zinc/41/94/18/411419418.db2.gz DYGSJLZDMIZLBG-NSHDSACASA-N 1 2 235.287 1.490 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1CCC1 ZINC000660333713 411420366 /nfs/dbraw/zinc/42/03/66/411420366.db2.gz PCRXRSGRZFNZSA-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1CCC1 ZINC000660333713 411420370 /nfs/dbraw/zinc/42/03/70/411420370.db2.gz PCRXRSGRZFNZSA-UHFFFAOYSA-N 1 2 222.292 1.351 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CCC(C)(C)C2)n1 ZINC000653561015 411421677 /nfs/dbraw/zinc/42/16/77/411421677.db2.gz PPCORPAQPBKDNE-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CCC(C)(C)C2)n1 ZINC000653561015 411421679 /nfs/dbraw/zinc/42/16/79/411421679.db2.gz PPCORPAQPBKDNE-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO CC1(C)COC[C@@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000451821283 411425880 /nfs/dbraw/zinc/42/58/80/411425880.db2.gz CVCQFFKUHVCNHL-VIFPVBQESA-N 1 2 237.303 1.462 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnoc1 ZINC000654669656 411426311 /nfs/dbraw/zinc/42/63/11/411426311.db2.gz CSSPASFOFZFZHA-SSDOTTSWSA-N 1 2 220.232 1.215 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnoc1 ZINC000654669656 411426313 /nfs/dbraw/zinc/42/63/13/411426313.db2.gz CSSPASFOFZFZHA-SSDOTTSWSA-N 1 2 220.232 1.215 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2occc2C)[C@@H](C)C1 ZINC000271157733 411428562 /nfs/dbraw/zinc/42/85/62/411428562.db2.gz BYVQSGBJTDBELD-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2occc2C)[C@@H](C)C1 ZINC000271157733 411428564 /nfs/dbraw/zinc/42/85/64/411428564.db2.gz BYVQSGBJTDBELD-NSHDSACASA-N 1 2 236.315 1.641 20 0 BDADLO CO[C@H](C)CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000272726985 411435205 /nfs/dbraw/zinc/43/52/05/411435205.db2.gz AFRQSTXNYZVHGQ-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1cnccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000654758304 411440129 /nfs/dbraw/zinc/44/01/29/411440129.db2.gz SPAQKMCQHXWHIQ-NSHDSACASA-N 1 2 233.315 1.091 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)CO)ccn12 ZINC000654909300 411463618 /nfs/dbraw/zinc/46/36/18/411463618.db2.gz DMQRNAZVKUBMCT-SECBINFHSA-N 1 2 247.298 1.001 20 0 BDADLO Cc1nscc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000277269191 411444089 /nfs/dbraw/zinc/44/40/89/411444089.db2.gz AJCFCHYFBXFVNB-UHFFFAOYSA-N 1 2 239.344 1.274 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)no1 ZINC000657293565 411450311 /nfs/dbraw/zinc/45/03/11/411450311.db2.gz CSPCWGLEGQQPCF-KOLCDFICSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)no1 ZINC000657293565 411450313 /nfs/dbraw/zinc/45/03/13/411450313.db2.gz CSPCWGLEGQQPCF-KOLCDFICSA-N 1 2 208.261 1.285 20 0 BDADLO Cc1cc(CNCc2c[nH+]c3n2CCC3)no1 ZINC000657330272 411467647 /nfs/dbraw/zinc/46/76/47/411467647.db2.gz UADIAFVQLXLFJE-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO CC(C)OCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654998545 411474073 /nfs/dbraw/zinc/47/40/73/411474073.db2.gz VXVBKGFYICZHRR-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO CC(C)OCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654998545 411474075 /nfs/dbraw/zinc/47/40/75/411474075.db2.gz VXVBKGFYICZHRR-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)[nH]n1 ZINC000657366750 411479219 /nfs/dbraw/zinc/47/92/19/411479219.db2.gz BUXUPRVOPXCPSB-UHFFFAOYSA-N 1 2 246.318 1.324 20 0 BDADLO CC[N@H+](Cc1nccn1C(F)F)[C@@H]1CCOC1 ZINC000338315138 169936697 /nfs/dbraw/zinc/93/66/97/169936697.db2.gz MNSPIBDFQRJKQP-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO CC[N@@H+](Cc1nccn1C(F)F)[C@@H]1CCOC1 ZINC000338315138 169936699 /nfs/dbraw/zinc/93/66/99/169936699.db2.gz MNSPIBDFQRJKQP-SECBINFHSA-N 1 2 245.273 1.889 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)C1CCC1)CC2 ZINC000655043253 411483244 /nfs/dbraw/zinc/48/32/44/411483244.db2.gz NJOIKFXQFDUFGA-LLVKDONJSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H]1C ZINC000655076169 411489899 /nfs/dbraw/zinc/48/98/99/411489899.db2.gz IZIWPUDQKZGJQG-FXPVBKGRSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H]1C ZINC000655076169 411489901 /nfs/dbraw/zinc/48/99/01/411489901.db2.gz IZIWPUDQKZGJQG-FXPVBKGRSA-N 1 2 221.304 1.503 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccon1 ZINC000657385872 411490245 /nfs/dbraw/zinc/49/02/45/411490245.db2.gz ZPCNJAUPJPDBSK-UHFFFAOYSA-N 1 2 246.314 1.965 20 0 BDADLO CN(C)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000655084919 411491974 /nfs/dbraw/zinc/49/19/74/411491974.db2.gz BXRDSAJEUYDSGP-UHFFFAOYSA-N 1 2 249.305 1.235 20 0 BDADLO Cc1nsc(C)c1C[NH+]1CCOCC1 ZINC000647955172 411495906 /nfs/dbraw/zinc/49/59/06/411495906.db2.gz CLHRNKVPJZPQMR-UHFFFAOYSA-N 1 2 212.318 1.592 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(F)F ZINC000655113527 411497247 /nfs/dbraw/zinc/49/72/47/411497247.db2.gz ZFMMNDJXRCQVDH-ZETCQYMHSA-N 1 2 231.246 1.360 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(F)F ZINC000655113527 411497249 /nfs/dbraw/zinc/49/72/49/411497249.db2.gz ZFMMNDJXRCQVDH-ZETCQYMHSA-N 1 2 231.246 1.360 20 0 BDADLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(F)F ZINC000655119656 411498067 /nfs/dbraw/zinc/49/80/67/411498067.db2.gz PJJTZJNBKHDZGW-QMMMGPOBSA-N 1 2 234.290 1.488 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1C ZINC000655126600 411499721 /nfs/dbraw/zinc/49/97/21/411499721.db2.gz ILVNVKVIWPTIMP-BDAKNGLRSA-N 1 2 207.277 1.175 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000655127404 411500694 /nfs/dbraw/zinc/50/06/94/411500694.db2.gz QLJPOQJNSADZPZ-UJNFCWOMSA-N 1 2 243.257 1.107 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000655127404 411500696 /nfs/dbraw/zinc/50/06/96/411500696.db2.gz QLJPOQJNSADZPZ-UJNFCWOMSA-N 1 2 243.257 1.107 20 0 BDADLO CCn1cc(CN(C)Cc2cn(C)c[nH+]2)cn1 ZINC000659927712 411500916 /nfs/dbraw/zinc/50/09/16/411500916.db2.gz HZQQRGWOEBNWKX-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO C[C@@H](NCc1c[nH+]c2n1CCC2)c1ccn(C)n1 ZINC000657492617 411534236 /nfs/dbraw/zinc/53/42/36/411534236.db2.gz YWFUPWZLWPGJHK-SNVBAGLBSA-N 1 2 245.330 1.414 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccn2C(C)C)ncn1 ZINC000657418426 411502407 /nfs/dbraw/zinc/50/24/07/411502407.db2.gz FKOPXUZCFSXIJK-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC12CC2 ZINC000655150173 411505657 /nfs/dbraw/zinc/50/56/57/411505657.db2.gz WXAUGYHMFLZMLN-ZJUUUORDSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC12CC2 ZINC000655150173 411505661 /nfs/dbraw/zinc/50/56/61/411505661.db2.gz WXAUGYHMFLZMLN-ZJUUUORDSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@H](NCc1c[nH+]c2n1CCC2)c1ccn(C)n1 ZINC000657492613 411534733 /nfs/dbraw/zinc/53/47/33/411534733.db2.gz YWFUPWZLWPGJHK-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO CCN1OC[C@H]([N@@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000659985610 411519903 /nfs/dbraw/zinc/51/99/03/411519903.db2.gz NXOSZSCDBSRBGB-OLZOCXBDSA-N 1 2 246.310 1.596 20 0 BDADLO CCN1OC[C@H]([N@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000659985610 411519905 /nfs/dbraw/zinc/51/99/05/411519905.db2.gz NXOSZSCDBSRBGB-OLZOCXBDSA-N 1 2 246.310 1.596 20 0 BDADLO CCCn1nccc1CNc1ccc(CO)c[nH+]1 ZINC000657468227 411522969 /nfs/dbraw/zinc/52/29/69/411522969.db2.gz MBMVBBYHFQIOCQ-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1Cc1cn(C)c[nH+]1 ZINC000660009272 411527446 /nfs/dbraw/zinc/52/74/46/411527446.db2.gz PFGPJAXSVDDTQC-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cn(C)cn1 ZINC000660009272 411527448 /nfs/dbraw/zinc/52/74/48/411527448.db2.gz PFGPJAXSVDDTQC-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cn(C)cn1 ZINC000660009272 411527450 /nfs/dbraw/zinc/52/74/50/411527450.db2.gz PFGPJAXSVDDTQC-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCC3)nc(C)n1 ZINC000660115488 411538671 /nfs/dbraw/zinc/53/86/71/411538671.db2.gz AKTNRCRJOVABBT-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCC3)nc(C)n1 ZINC000660115488 411538672 /nfs/dbraw/zinc/53/86/72/411538672.db2.gz AKTNRCRJOVABBT-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO CCN1C[C@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000107292841 170032476 /nfs/dbraw/zinc/03/24/76/170032476.db2.gz FAONEXDGUPWNIX-SNVBAGLBSA-N 1 2 247.298 1.197 20 0 BDADLO c1nn[nH]c1CC[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000660121505 411540681 /nfs/dbraw/zinc/54/06/81/411540681.db2.gz NQMWHKWPUDOUAM-WDEREUQCSA-N 1 2 204.277 1.140 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000660121505 411540682 /nfs/dbraw/zinc/54/06/82/411540682.db2.gz NQMWHKWPUDOUAM-WDEREUQCSA-N 1 2 204.277 1.140 20 0 BDADLO CCNC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000032489131 170060630 /nfs/dbraw/zinc/06/06/30/170060630.db2.gz DUJBXOIAMZDWAS-JTQLQIEISA-N 1 2 221.304 1.001 20 0 BDADLO CCNC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000032489131 170060631 /nfs/dbraw/zinc/06/06/31/170060631.db2.gz DUJBXOIAMZDWAS-JTQLQIEISA-N 1 2 221.304 1.001 20 0 BDADLO c1ncc(C[N@@H+]2CCc3n[nH]cc3C2)s1 ZINC000660135750 411543469 /nfs/dbraw/zinc/54/34/69/411543469.db2.gz DWWDPGHZQSAQAF-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO c1ncc(C[N@H+]2CCc3n[nH]cc3C2)s1 ZINC000660135750 411543471 /nfs/dbraw/zinc/54/34/71/411543471.db2.gz DWWDPGHZQSAQAF-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO Cc1nc(CN(C)Cc2[nH+]ccn2C)co1 ZINC000660136154 411543560 /nfs/dbraw/zinc/54/35/60/411543560.db2.gz JBSIYRRPCJAHON-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119048427 170074770 /nfs/dbraw/zinc/07/47/70/170074770.db2.gz KPEKECOEMIPFKM-QWRGUYRKSA-N 1 2 236.319 1.496 20 0 BDADLO Cn1cnc(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000660138516 411544013 /nfs/dbraw/zinc/54/40/13/411544013.db2.gz VNUMGBQUVOQZCJ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1cnc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000660138516 411544015 /nfs/dbraw/zinc/54/40/15/411544015.db2.gz VNUMGBQUVOQZCJ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1c[nH+]c(CN(Cc2cccnc2)C2CC2)c1 ZINC000660138516 411544017 /nfs/dbraw/zinc/54/40/17/411544017.db2.gz VNUMGBQUVOQZCJ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C[N@H+](CCC1(O)CCC1)Cc1ncc[nH]1 ZINC000660142428 411544478 /nfs/dbraw/zinc/54/44/78/411544478.db2.gz XUVJRXWDXWTAED-UHFFFAOYSA-N 1 2 209.293 1.147 20 0 BDADLO C[N@@H+](CCC1(O)CCC1)Cc1ncc[nH]1 ZINC000660142428 411544479 /nfs/dbraw/zinc/54/44/79/411544479.db2.gz XUVJRXWDXWTAED-UHFFFAOYSA-N 1 2 209.293 1.147 20 0 BDADLO CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265732929 170084310 /nfs/dbraw/zinc/08/43/10/170084310.db2.gz SQFAUKOLXACBEN-UHFFFAOYSA-N 1 2 218.260 1.784 20 0 BDADLO CCCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660102020 411537347 /nfs/dbraw/zinc/53/73/47/411537347.db2.gz SHFKSXFBSMAOLK-VIFPVBQESA-N 1 2 224.308 1.533 20 0 BDADLO C[C@@H](NC(=O)N1CC[C@H](C)C1)c1[nH+]ccn1C ZINC000660098877 411537534 /nfs/dbraw/zinc/53/75/34/411537534.db2.gz CZPNUWYVRUNAKH-VHSXEESVSA-N 1 2 236.319 1.533 20 0 BDADLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)nc1 ZINC000657568953 411553612 /nfs/dbraw/zinc/55/36/12/411553612.db2.gz LSZQHMUUVQSZGF-ZYHUDNBSSA-N 1 2 243.314 1.777 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657569373 411553667 /nfs/dbraw/zinc/55/36/67/411553667.db2.gz MJASMUDBBXGQCA-CMPLNLGQSA-N 1 2 243.314 1.777 20 0 BDADLO C[C@H](NC(=O)NC1CCCC1)c1[nH+]ccn1C ZINC000660207890 411553967 /nfs/dbraw/zinc/55/39/67/411553967.db2.gz KNEWLTWUIYDYTG-VIFPVBQESA-N 1 2 236.319 1.723 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000660143614 411544700 /nfs/dbraw/zinc/54/47/00/411544700.db2.gz XSHIDLIEMXJQPZ-VIFPVBQESA-N 1 2 247.302 1.407 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000660142173 411544915 /nfs/dbraw/zinc/54/49/15/411544915.db2.gz PWDPXSGOBVIJHV-SNVBAGLBSA-N 1 2 209.293 1.267 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000660142173 411544917 /nfs/dbraw/zinc/54/49/17/411544917.db2.gz PWDPXSGOBVIJHV-SNVBAGLBSA-N 1 2 209.293 1.267 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CCCO1 ZINC000037957488 170187064 /nfs/dbraw/zinc/18/70/64/170187064.db2.gz KBCUNZNGQOGKGK-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO CCN1CC[C@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000660166851 411550151 /nfs/dbraw/zinc/55/01/51/411550151.db2.gz GMPUWRNWEPMWDN-JTQLQIEISA-N 1 2 212.268 1.166 20 0 BDADLO CCN1CC[C@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000660166851 411550153 /nfs/dbraw/zinc/55/01/53/411550153.db2.gz GMPUWRNWEPMWDN-JTQLQIEISA-N 1 2 212.268 1.166 20 0 BDADLO CCOC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106936172 170204151 /nfs/dbraw/zinc/20/41/51/170204151.db2.gz UQUPGQBBGBMSBF-UHFFFAOYSA-N 1 2 221.247 1.669 20 0 BDADLO CCOC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106936172 170204152 /nfs/dbraw/zinc/20/41/52/170204152.db2.gz UQUPGQBBGBMSBF-UHFFFAOYSA-N 1 2 221.247 1.669 20 0 BDADLO c1cc(C[NH2+][C@H]2COC3(CCC3)C2)[nH]n1 ZINC000657630283 411566170 /nfs/dbraw/zinc/56/61/70/411566170.db2.gz AXHDZOLNXDIUPI-SNVBAGLBSA-N 1 2 207.277 1.211 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ccccc1 ZINC000038889639 170214442 /nfs/dbraw/zinc/21/44/42/170214442.db2.gz LNBFBZHDGVLVLW-UHFFFAOYSA-N 1 2 221.300 1.724 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000038889639 170214443 /nfs/dbraw/zinc/21/44/43/170214443.db2.gz LNBFBZHDGVLVLW-UHFFFAOYSA-N 1 2 221.300 1.724 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ccccc1F ZINC000069251535 170215366 /nfs/dbraw/zinc/21/53/66/170215366.db2.gz ISLVOQYOUZKYTE-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ccccc1F ZINC000069251535 170215368 /nfs/dbraw/zinc/21/53/68/170215368.db2.gz ISLVOQYOUZKYTE-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO CCOC(=O)C[N@H+](CC=C(C)C)C1CC1 ZINC000049573415 170216892 /nfs/dbraw/zinc/21/68/92/170216892.db2.gz POKRJHWCGJEFHN-UHFFFAOYSA-N 1 2 211.305 1.980 20 0 BDADLO CCOC(=O)C[N@@H+](CC=C(C)C)C1CC1 ZINC000049573415 170216895 /nfs/dbraw/zinc/21/68/95/170216895.db2.gz POKRJHWCGJEFHN-UHFFFAOYSA-N 1 2 211.305 1.980 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccncc1)C(C)C ZINC000050055105 170217943 /nfs/dbraw/zinc/21/79/43/170217943.db2.gz YHBJCKFIPSSASQ-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccncc1)C(C)C ZINC000050055105 170217944 /nfs/dbraw/zinc/21/79/44/170217944.db2.gz YHBJCKFIPSSASQ-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1ccno1)CC(C)C ZINC000264741280 170218285 /nfs/dbraw/zinc/21/82/85/170218285.db2.gz UFPYEWVYLGTWRG-UHFFFAOYSA-N 1 2 240.303 1.696 20 0 BDADLO CCOC(=O)C[N@H+](Cc1ccno1)CC(C)C ZINC000264741280 170218286 /nfs/dbraw/zinc/21/82/86/170218286.db2.gz UFPYEWVYLGTWRG-UHFFFAOYSA-N 1 2 240.303 1.696 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119657106 170220974 /nfs/dbraw/zinc/22/09/74/170220974.db2.gz XCUFSNXCMYAIMV-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119657106 170220975 /nfs/dbraw/zinc/22/09/75/170220975.db2.gz XCUFSNXCMYAIMV-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000375731204 170225531 /nfs/dbraw/zinc/22/55/31/170225531.db2.gz NFOXILCJRZKQPZ-STQMWFEESA-N 1 2 241.331 1.344 20 0 BDADLO CCC[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660246631 411556761 /nfs/dbraw/zinc/55/67/61/411556761.db2.gz LBXRFWYKABHWLB-VIFPVBQESA-N 1 2 224.308 1.740 20 0 BDADLO CCC[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660246631 411556762 /nfs/dbraw/zinc/55/67/62/411556762.db2.gz LBXRFWYKABHWLB-VIFPVBQESA-N 1 2 224.308 1.740 20 0 BDADLO CCOC(=O)N1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000274527575 170239722 /nfs/dbraw/zinc/23/97/22/170239722.db2.gz YBVMDMABVWUSPY-SNVBAGLBSA-N 1 2 235.287 1.724 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000301594130 170246316 /nfs/dbraw/zinc/24/63/16/170246316.db2.gz YLHDFXGRCHCBLR-VIFPVBQESA-N 1 2 249.314 1.965 20 0 BDADLO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000295860577 170248876 /nfs/dbraw/zinc/24/88/76/170248876.db2.gz YEOOXDJICRLXJA-DTWKUNHWSA-N 1 2 225.292 1.087 20 0 BDADLO COc1cc(CN2CCn3cc(C)[nH+]c3C2)on1 ZINC000660241496 411558574 /nfs/dbraw/zinc/55/85/74/411558574.db2.gz KBAFDLZOYFIOJF-UHFFFAOYSA-N 1 2 248.286 1.204 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300369480 170268355 /nfs/dbraw/zinc/26/83/55/170268355.db2.gz RIULOIPGUNNMSY-LSJOCFKGSA-N 1 2 227.304 1.095 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000336776071 170268439 /nfs/dbraw/zinc/26/84/39/170268439.db2.gz DPTXBQCOBSTHQN-NHCYSSNCSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000300369457 170268757 /nfs/dbraw/zinc/26/87/57/170268757.db2.gz RCHKRLUBZJXFFA-QXEWZRGKSA-N 1 2 215.293 1.095 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1ccccn1 ZINC000084120518 170271800 /nfs/dbraw/zinc/27/18/00/170271800.db2.gz AREJXGHHKUFTIZ-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1ccccn1 ZINC000084120518 170271802 /nfs/dbraw/zinc/27/18/02/170271802.db2.gz AREJXGHHKUFTIZ-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000300622873 170272609 /nfs/dbraw/zinc/27/26/09/170272609.db2.gz CVINYQXZJQRTSY-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)Cn1cccn1 ZINC000084102179 170272710 /nfs/dbraw/zinc/27/27/10/170272710.db2.gz ZHQBTEYJKMRCCV-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO CCOC1CN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000297365820 170336702 /nfs/dbraw/zinc/33/67/02/170336702.db2.gz HEBNFMIRHWORSZ-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CCOCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276634818 170362252 /nfs/dbraw/zinc/36/22/52/170362252.db2.gz PYGAAEOCVSFCBA-NSHDSACASA-N 1 2 239.319 1.650 20 0 BDADLO OC1([C@H]2CCCC[N@@H+]2Cc2csnn2)CC1 ZINC000660769260 411624014 /nfs/dbraw/zinc/62/40/14/411624014.db2.gz WUEYRJACOWQZLH-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO OC1([C@H]2CCCC[N@H+]2Cc2csnn2)CC1 ZINC000660769260 411624016 /nfs/dbraw/zinc/62/40/16/411624016.db2.gz WUEYRJACOWQZLH-SNVBAGLBSA-N 1 2 239.344 1.418 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)s1 ZINC000660780848 411628556 /nfs/dbraw/zinc/62/85/56/411628556.db2.gz VTRRIJFRZPWYBT-YUMQZZPRSA-N 1 2 227.358 1.536 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)s1 ZINC000660780848 411628561 /nfs/dbraw/zinc/62/85/61/411628561.db2.gz VTRRIJFRZPWYBT-YUMQZZPRSA-N 1 2 227.358 1.536 20 0 BDADLO CCn1nccc1C[NH2+]Cc1nc(C)c[nH]1 ZINC000663349852 411635468 /nfs/dbraw/zinc/63/54/68/411635468.db2.gz SUJGXTSMNYMYOM-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO Cn1cnc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000660380655 411576760 /nfs/dbraw/zinc/57/67/60/411576760.db2.gz NEQRQJOTTSTRHL-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@H+](CC3CC=CC3)C2)O1 ZINC000660462781 411588923 /nfs/dbraw/zinc/58/89/23/411588923.db2.gz UNOFSZISFRRTNO-NSHDSACASA-N 1 2 249.314 1.921 20 0 BDADLO O=C1N=NC([C@H]2CCC[N@@H+](CC3CC=CC3)C2)O1 ZINC000660462781 411588925 /nfs/dbraw/zinc/58/89/25/411588925.db2.gz UNOFSZISFRRTNO-NSHDSACASA-N 1 2 249.314 1.921 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CC3CC=CC3)C2)o1 ZINC000660462781 411588927 /nfs/dbraw/zinc/58/89/27/411588927.db2.gz UNOFSZISFRRTNO-NSHDSACASA-N 1 2 249.314 1.921 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CC=CC3)C2)o1 ZINC000660462781 411588929 /nfs/dbraw/zinc/58/89/29/411588929.db2.gz UNOFSZISFRRTNO-NSHDSACASA-N 1 2 249.314 1.921 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H](C)OC)[nH]1 ZINC000660553451 411598878 /nfs/dbraw/zinc/59/88/78/411598878.db2.gz YWEKVMQWJLQUDA-RKDXNWHRSA-N 1 2 226.324 1.395 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H](C)OC)[nH]1 ZINC000660553451 411598879 /nfs/dbraw/zinc/59/88/79/411598879.db2.gz YWEKVMQWJLQUDA-RKDXNWHRSA-N 1 2 226.324 1.395 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCn3cncc3C2)O1 ZINC000660582507 411602747 /nfs/dbraw/zinc/60/27/47/411602747.db2.gz UQLMECQOMKUVKM-LBPRGKRZSA-N 1 2 235.331 1.656 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCn3cncc3C2)O1 ZINC000660582507 411602748 /nfs/dbraw/zinc/60/27/48/411602748.db2.gz UQLMECQOMKUVKM-LBPRGKRZSA-N 1 2 235.331 1.656 20 0 BDADLO CC1(C)CC[C@@H](CN2CCn3c[nH+]cc3C2)O1 ZINC000660582507 411602750 /nfs/dbraw/zinc/60/27/50/411602750.db2.gz UQLMECQOMKUVKM-LBPRGKRZSA-N 1 2 235.331 1.656 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)co1 ZINC000660623467 411608820 /nfs/dbraw/zinc/60/88/20/411608820.db2.gz NQBMCSQFNNRQTK-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)co1 ZINC000660623467 411608821 /nfs/dbraw/zinc/60/88/21/411608821.db2.gz NQBMCSQFNNRQTK-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CCNC(=O)[C@@H]([NH2+]Cc1coc(C)n1)C(C)C ZINC000660631347 411609372 /nfs/dbraw/zinc/60/93/72/411609372.db2.gz VJDVRJPPALNQDF-NSHDSACASA-N 1 2 239.319 1.233 20 0 BDADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc[nH]n1 ZINC000657874819 411614941 /nfs/dbraw/zinc/61/49/41/411614941.db2.gz BDCNDTLVEKLNHR-JTQLQIEISA-N 1 2 217.276 1.231 20 0 BDADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1cnc[nH]1 ZINC000661093535 411704697 /nfs/dbraw/zinc/70/46/97/411704697.db2.gz QRAKEVRZZSVMCS-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1cnc[nH]1 ZINC000661093535 411704702 /nfs/dbraw/zinc/70/47/02/411704702.db2.gz QRAKEVRZZSVMCS-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1c[nH]cn1 ZINC000661093535 411704706 /nfs/dbraw/zinc/70/47/06/411704706.db2.gz QRAKEVRZZSVMCS-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1c[nH]cn1 ZINC000661093535 411704708 /nfs/dbraw/zinc/70/47/08/411704708.db2.gz QRAKEVRZZSVMCS-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844356 411658072 /nfs/dbraw/zinc/65/80/72/411658072.db2.gz IAFUANQGHWCCHY-QMMMGPOBSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844356 411658076 /nfs/dbraw/zinc/65/80/76/411658076.db2.gz IAFUANQGHWCCHY-QMMMGPOBSA-N 1 2 234.259 1.363 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC=CC1 ZINC000660894947 411663544 /nfs/dbraw/zinc/66/35/44/411663544.db2.gz JGBTZCDFGDMBGH-UHFFFAOYSA-N 1 2 220.276 1.270 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC=CC1 ZINC000660894947 411663546 /nfs/dbraw/zinc/66/35/46/411663546.db2.gz JGBTZCDFGDMBGH-UHFFFAOYSA-N 1 2 220.276 1.270 20 0 BDADLO CO[C@H](C[N@@H+]1CCCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660913367 411671091 /nfs/dbraw/zinc/67/10/91/411671091.db2.gz SCYQJIUECFVYNQ-GHMZBOCLSA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@H](C[N@H+]1CCCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660913367 411671096 /nfs/dbraw/zinc/67/10/96/411671096.db2.gz SCYQJIUECFVYNQ-GHMZBOCLSA-N 1 2 249.301 1.769 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000660929987 411678814 /nfs/dbraw/zinc/67/88/14/411678814.db2.gz DKGIOGBBCVOQFZ-UWVGGRQHSA-N 1 2 220.320 1.742 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000660929987 411678819 /nfs/dbraw/zinc/67/88/19/411678819.db2.gz DKGIOGBBCVOQFZ-UWVGGRQHSA-N 1 2 220.320 1.742 20 0 BDADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000528141857 411697488 /nfs/dbraw/zinc/69/74/88/411697488.db2.gz WDNALOXRSWMGPQ-MNOVXSKESA-N 1 2 249.314 1.306 20 0 BDADLO Nc1[nH+]cccc1CNc1cc2c(nn1)CCC2 ZINC000663961234 411791619 /nfs/dbraw/zinc/79/16/19/411791619.db2.gz BWFXJQVAUUDZMF-UHFFFAOYSA-N 1 2 241.298 1.555 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(C)(C)C(N)=O ZINC000517787377 411735404 /nfs/dbraw/zinc/73/54/04/411735404.db2.gz OMPWMKNPMMEFGB-UHFFFAOYSA-N 1 2 222.292 1.017 20 0 BDADLO CCc1cc(NC(=O)Cc2[nH]c[nH+]c2C)n[nH]1 ZINC000616352246 411761877 /nfs/dbraw/zinc/76/18/77/411761877.db2.gz YIWMZMIBHKXOQX-UHFFFAOYSA-N 1 2 233.275 1.185 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@H](O)C(F)(F)C1 ZINC000661397012 411767199 /nfs/dbraw/zinc/76/71/99/411767199.db2.gz BOMBGPZFIMSPQZ-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO CCc1cc(NCc2nncn2C2CC2)nc[nH+]1 ZINC000603394020 411769213 /nfs/dbraw/zinc/76/92/13/411769213.db2.gz MSEAOURUMXSODI-UHFFFAOYSA-N 1 2 244.302 1.578 20 0 BDADLO O[C@@H]1CC[N@H+](CCCCCF)CC1(F)F ZINC000661410219 411770166 /nfs/dbraw/zinc/77/01/66/411770166.db2.gz XTYFZVXYMOAKES-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO O[C@@H]1CC[N@@H+](CCCCCF)CC1(F)F ZINC000661410219 411770167 /nfs/dbraw/zinc/77/01/67/411770167.db2.gz XTYFZVXYMOAKES-SECBINFHSA-N 1 2 225.254 1.828 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(N)c1)c1cscn1 ZINC000661418045 411771610 /nfs/dbraw/zinc/77/16/10/411771610.db2.gz IJCSIBDBQDTDGX-QMMMGPOBSA-N 1 2 234.328 1.971 20 0 BDADLO Clc1cncnc1N1CCc2[nH+]c[nH]c2C1 ZINC000663919556 411776223 /nfs/dbraw/zinc/77/62/23/411776223.db2.gz OWEFGDYZQIDYEM-UHFFFAOYSA-N 1 2 235.678 1.416 20 0 BDADLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(F)F ZINC000661439507 411776491 /nfs/dbraw/zinc/77/64/91/411776491.db2.gz ZRKFWYBIYWYBHN-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(F)F ZINC000661439507 411776492 /nfs/dbraw/zinc/77/64/92/411776492.db2.gz ZRKFWYBIYWYBHN-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2csnn2)[C@H]1CCO ZINC000661489690 411787018 /nfs/dbraw/zinc/78/70/18/411787018.db2.gz BOYCRMUEWCXTFF-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2csnn2)[C@H]1CCO ZINC000661489690 411787022 /nfs/dbraw/zinc/78/70/22/411787022.db2.gz BOYCRMUEWCXTFF-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661508954 411791381 /nfs/dbraw/zinc/79/13/81/411791381.db2.gz BUZKZCJHEIXLTG-RYUDHWBXSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661508954 411791384 /nfs/dbraw/zinc/79/13/84/411791384.db2.gz BUZKZCJHEIXLTG-RYUDHWBXSA-N 1 2 234.274 1.461 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)on1 ZINC000661166743 411727131 /nfs/dbraw/zinc/72/71/31/411727131.db2.gz KURYLMPAELFTSU-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)on1 ZINC000661166743 411727134 /nfs/dbraw/zinc/72/71/34/411727134.db2.gz KURYLMPAELFTSU-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2cccnc2)o1 ZINC000661528975 411795411 /nfs/dbraw/zinc/79/54/11/411795411.db2.gz FIURTAZZHGCTEQ-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2cccnc2)o1 ZINC000661528975 411795416 /nfs/dbraw/zinc/79/54/16/411795416.db2.gz FIURTAZZHGCTEQ-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC2CC1(C)C2 ZINC000663974412 411797505 /nfs/dbraw/zinc/79/75/05/411797505.db2.gz JGUCERQPYHRSLR-UHFFFAOYSA-N 1 2 234.303 1.114 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)C1=O ZINC000661548263 411801332 /nfs/dbraw/zinc/80/13/32/411801332.db2.gz HNQIGQKKBXNCRO-RKDXNWHRSA-N 1 2 207.277 1.067 20 0 BDADLO CCn1ncc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000528069778 411823405 /nfs/dbraw/zinc/82/34/05/411823405.db2.gz GHUKRLJDSZZMPZ-UHFFFAOYSA-N 1 2 244.302 1.578 20 0 BDADLO C[N@H+](CC1=CCCOC1)Cc1ncccn1 ZINC000661653822 411830964 /nfs/dbraw/zinc/83/09/64/411830964.db2.gz UOQBHKKJIMMCFL-UHFFFAOYSA-N 1 2 219.288 1.255 20 0 BDADLO C[N@@H+](CC1=CCCOC1)Cc1ncccn1 ZINC000661653822 411830966 /nfs/dbraw/zinc/83/09/66/411830966.db2.gz UOQBHKKJIMMCFL-UHFFFAOYSA-N 1 2 219.288 1.255 20 0 BDADLO C[C@@H](O)CNc1cc(NCC(C)(C)F)nc[nH+]1 ZINC000631408419 411831002 /nfs/dbraw/zinc/83/10/02/411831002.db2.gz QYFBXWCZIUBWFW-MRVPVSSYSA-N 1 2 242.298 1.429 20 0 BDADLO C[C@@H](O)CNc1cc(NCC(C)(C)F)[nH+]cn1 ZINC000631408419 411831006 /nfs/dbraw/zinc/83/10/06/411831006.db2.gz QYFBXWCZIUBWFW-MRVPVSSYSA-N 1 2 242.298 1.429 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1nccn1C(F)F)CC2 ZINC000661714061 411853852 /nfs/dbraw/zinc/85/38/52/411853852.db2.gz PCDBRBBEFCUYGM-GZMMTYOYSA-N 1 2 243.257 1.235 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1nccn1C(F)F)CC2 ZINC000661714061 411853854 /nfs/dbraw/zinc/85/38/54/411853854.db2.gz PCDBRBBEFCUYGM-GZMMTYOYSA-N 1 2 243.257 1.235 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661722521 411858665 /nfs/dbraw/zinc/85/86/65/411858665.db2.gz IENOSVPMPPAHFB-POZPLHJXSA-N 1 2 239.344 1.364 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000661722521 411858670 /nfs/dbraw/zinc/85/86/70/411858670.db2.gz IENOSVPMPPAHFB-POZPLHJXSA-N 1 2 239.344 1.364 20 0 BDADLO c1cn(CCCn2cc(C3CC3)nn2)c[nH+]1 ZINC000664122538 411861506 /nfs/dbraw/zinc/86/15/06/411861506.db2.gz WJFYVQNUGIVEIS-UHFFFAOYSA-N 1 2 217.276 1.442 20 0 BDADLO CCOc1cc(N(C)Cc2c[nH+]c[nH]2)nc(C)n1 ZINC000664126333 411862118 /nfs/dbraw/zinc/86/21/18/411862118.db2.gz HXBASYMXRRMRCF-UHFFFAOYSA-N 1 2 247.302 1.543 20 0 BDADLO CCOC(=O)Cc1c[nH+]c(N)cc1C(F)(F)F ZINC000575341564 411862787 /nfs/dbraw/zinc/86/27/87/411862787.db2.gz PQHBWCOYDUMTND-UHFFFAOYSA-N 1 2 248.204 1.788 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276551353 170770416 /nfs/dbraw/zinc/77/04/16/170770416.db2.gz HSCCBSLMZIJEOY-GMCFVEKCSA-N 1 2 221.304 1.974 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)no1 ZINC000661835032 411897696 /nfs/dbraw/zinc/89/76/96/411897696.db2.gz IJIVYLCWMOJSQL-BDAKNGLRSA-N 1 2 237.303 1.025 20 0 BDADLO Cc1nc(NCC2CC(C)(C)C2)nc(N)[nH+]1 ZINC000631234346 411942417 /nfs/dbraw/zinc/94/24/17/411942417.db2.gz YMSMBGUCELSUOM-UHFFFAOYSA-N 1 2 221.308 1.032 20 0 BDADLO Cc1nc(N)nc(NCC2CC(C)(C)C2)[nH+]1 ZINC000631234346 411942422 /nfs/dbraw/zinc/94/24/22/411942422.db2.gz YMSMBGUCELSUOM-UHFFFAOYSA-N 1 2 221.308 1.032 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2[C@@H](C)CO)cc[nH+]1 ZINC000664268343 411905484 /nfs/dbraw/zinc/90/54/84/411905484.db2.gz QTNYSMLPKQWHCP-CMPLNLGQSA-N 1 2 235.331 1.772 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1(CO)CC1 ZINC000664271475 411906979 /nfs/dbraw/zinc/90/69/79/411906979.db2.gz KPDKAIXGFURRCD-VIFPVBQESA-N 1 2 233.315 1.927 20 0 BDADLO C[C@@]12COC[C@]1(C)CN(c1cccc[nH+]1)C2 ZINC000664288496 411914016 /nfs/dbraw/zinc/91/40/16/411914016.db2.gz XYHBOQHDMCTTQP-BETUJISGSA-N 1 2 218.300 1.944 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000664289330 411914268 /nfs/dbraw/zinc/91/42/68/411914268.db2.gz UKTCUTLFYMXVAD-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000664289330 411914272 /nfs/dbraw/zinc/91/42/72/411914272.db2.gz UKTCUTLFYMXVAD-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO Cn1cc(C[NH+]2CCC3(CCCC3=O)CC2)nn1 ZINC000661956783 411920559 /nfs/dbraw/zinc/92/05/59/411920559.db2.gz AJOMJNHDRUGAKK-UHFFFAOYSA-N 1 2 248.330 1.150 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661978841 411934685 /nfs/dbraw/zinc/93/46/85/411934685.db2.gz RIIIUCNEUHZNOS-NXEZZACHSA-N 1 2 235.287 1.263 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661978841 411934690 /nfs/dbraw/zinc/93/46/90/411934690.db2.gz RIIIUCNEUHZNOS-NXEZZACHSA-N 1 2 235.287 1.263 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000661760571 411871790 /nfs/dbraw/zinc/87/17/90/411871790.db2.gz HNSBQRYBEWSKMT-LLVKDONJSA-N 1 2 246.314 1.301 20 0 BDADLO COC[C@H](CCNc1cc(C)[nH+]cn1)OC ZINC000664162566 411876437 /nfs/dbraw/zinc/87/64/37/411876437.db2.gz SRTCICZKXGBNAS-JTQLQIEISA-N 1 2 225.292 1.248 20 0 BDADLO O[C@H]1C[C@H](Nc2cccc[nH+]2)C12CCC2 ZINC000664465026 411966085 /nfs/dbraw/zinc/96/60/85/411966085.db2.gz CZQZXOYAJNDERK-UWVGGRQHSA-N 1 2 204.273 1.797 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000664465210 411966668 /nfs/dbraw/zinc/96/66/68/411966668.db2.gz HUZSDJNYMMYXNB-QWRGUYRKSA-N 1 2 233.315 1.754 20 0 BDADLO CC(C)(C)c1nc(NC[C@@H]2CCC(=O)N2)cc[nH+]1 ZINC000664476139 411969776 /nfs/dbraw/zinc/96/97/76/411969776.db2.gz XZWBGSSIAYQTBL-VIFPVBQESA-N 1 2 248.330 1.465 20 0 BDADLO COCc1nc(C[NH2+]C2(CC(C)C)CC2)no1 ZINC000662072599 411974986 /nfs/dbraw/zinc/97/49/86/411974986.db2.gz SLKZHXRIULTVCX-UHFFFAOYSA-N 1 2 239.319 1.884 20 0 BDADLO c1nc(N2CCC3(COC3)C2)cc(NC2CC2)[nH+]1 ZINC000664570600 411989238 /nfs/dbraw/zinc/98/92/38/411989238.db2.gz CVSDZJOKTQHYOT-UHFFFAOYSA-N 1 2 246.314 1.278 20 0 BDADLO c1nc(NC2CC2)cc(N2CCC3(COC3)C2)[nH+]1 ZINC000664570600 411989240 /nfs/dbraw/zinc/98/92/40/411989240.db2.gz CVSDZJOKTQHYOT-UHFFFAOYSA-N 1 2 246.314 1.278 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000664603473 411996260 /nfs/dbraw/zinc/99/62/60/411996260.db2.gz PUVJFPYNHIJGIU-SKDRFNHKSA-N 1 2 234.303 1.640 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000664603473 411996265 /nfs/dbraw/zinc/99/62/65/411996265.db2.gz PUVJFPYNHIJGIU-SKDRFNHKSA-N 1 2 234.303 1.640 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000664775817 412020609 /nfs/dbraw/zinc/02/06/09/412020609.db2.gz WSDDHWCVAZYJCH-URLYPYJESA-N 1 2 234.303 1.350 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000664775817 412020613 /nfs/dbraw/zinc/02/06/13/412020613.db2.gz WSDDHWCVAZYJCH-URLYPYJESA-N 1 2 234.303 1.350 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000664644597 412005016 /nfs/dbraw/zinc/00/50/16/412005016.db2.gz RDQYMCULUSWTDI-MGCOHNPYSA-N 1 2 219.288 1.598 20 0 BDADLO CCn1nccc1CNc1nc[nH+]c(C)c1OC ZINC000664683025 412010258 /nfs/dbraw/zinc/01/02/58/412010258.db2.gz VDOYCBICSQYFPJ-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO Cc1nc(NCC[C@@]2(C)CC2(F)F)nc(N)[nH+]1 ZINC000631370426 411944439 /nfs/dbraw/zinc/94/44/39/411944439.db2.gz LIFVBPNKGYXJLN-VIFPVBQESA-N 1 2 243.261 1.031 20 0 BDADLO Cc1nc(N)nc(NCC[C@@]2(C)CC2(F)F)[nH+]1 ZINC000631370426 411944445 /nfs/dbraw/zinc/94/44/45/411944445.db2.gz LIFVBPNKGYXJLN-VIFPVBQESA-N 1 2 243.261 1.031 20 0 BDADLO C[C@@]12COC[C@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000664420744 411949303 /nfs/dbraw/zinc/94/93/03/411949303.db2.gz ZTWUYSQUYXIFOC-BXUZGUMPSA-N 1 2 245.326 1.827 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](CC)OC)c1[nH]cc[nH+]1 ZINC000331291122 170942936 /nfs/dbraw/zinc/94/29/36/170942936.db2.gz WHZQMLFAHRKAMV-RKDXNWHRSA-N 1 2 225.292 1.402 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)c2[nH+]ccn2C)no1 ZINC000664454921 411962529 /nfs/dbraw/zinc/96/25/29/411962529.db2.gz RCFWBIUFNVYFBK-MRVPVSSYSA-N 1 2 249.274 1.599 20 0 BDADLO Cc1cnc(C(=O)N[C@@H](C)c2[nH+]ccn2C)o1 ZINC000664454887 411963483 /nfs/dbraw/zinc/96/34/83/411963483.db2.gz PVXBJPNRRUQGOP-QMMMGPOBSA-N 1 2 234.259 1.208 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@H]1c1cccnc1 ZINC000664825977 412026619 /nfs/dbraw/zinc/02/66/19/412026619.db2.gz NERZQOMNUCFZHM-RYUDHWBXSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)[C@H]1c1cccnc1 ZINC000664825977 412026621 /nfs/dbraw/zinc/02/66/21/412026621.db2.gz NERZQOMNUCFZHM-RYUDHWBXSA-N 1 2 245.326 1.353 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822442 412027493 /nfs/dbraw/zinc/02/74/93/412027493.db2.gz WAOYEDPMQFBGGC-CYBMUJFWSA-N 1 2 247.342 1.553 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822442 412027495 /nfs/dbraw/zinc/02/74/95/412027495.db2.gz WAOYEDPMQFBGGC-CYBMUJFWSA-N 1 2 247.342 1.553 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830298 412028359 /nfs/dbraw/zinc/02/83/59/412028359.db2.gz VJHGCZDNKYBWDX-GFCCVEGCSA-N 1 2 233.315 1.211 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830298 412028362 /nfs/dbraw/zinc/02/83/62/412028362.db2.gz VJHGCZDNKYBWDX-GFCCVEGCSA-N 1 2 233.315 1.211 20 0 BDADLO CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828671 412028941 /nfs/dbraw/zinc/02/89/41/412028941.db2.gz JLBWLFUCAPOAHO-ZDUSSCGKSA-N 1 2 247.342 1.601 20 0 BDADLO CCNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664828671 412028944 /nfs/dbraw/zinc/02/89/44/412028944.db2.gz JLBWLFUCAPOAHO-ZDUSSCGKSA-N 1 2 247.342 1.601 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000357909157 171052213 /nfs/dbraw/zinc/05/22/13/171052213.db2.gz CLBSUVXPVOFKMA-QJPTWQEYSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000357909157 171052214 /nfs/dbraw/zinc/05/22/14/171052214.db2.gz CLBSUVXPVOFKMA-QJPTWQEYSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000111274085 171077292 /nfs/dbraw/zinc/07/72/92/171077292.db2.gz HYRXTJSNPLGHFZ-WDEREUQCSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H](C)O1 ZINC000111274085 171077293 /nfs/dbraw/zinc/07/72/93/171077293.db2.gz HYRXTJSNPLGHFZ-WDEREUQCSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000092487293 171087619 /nfs/dbraw/zinc/08/76/19/171087619.db2.gz DZWKUFYFKJUHTJ-WDEREUQCSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000092487293 171087623 /nfs/dbraw/zinc/08/76/23/171087623.db2.gz DZWKUFYFKJUHTJ-WDEREUQCSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)[S@]1=O ZINC000285631187 171088564 /nfs/dbraw/zinc/08/85/64/171088564.db2.gz CVPSGLLYCCAPFF-ZYSBLVPFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)[S@]1=O ZINC000285631187 171088566 /nfs/dbraw/zinc/08/85/66/171088566.db2.gz CVPSGLLYCCAPFF-ZYSBLVPFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000268846900 171090895 /nfs/dbraw/zinc/09/08/95/171090895.db2.gz BBCUWAHDVUWREH-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000268846900 171090897 /nfs/dbraw/zinc/09/08/97/171090897.db2.gz BBCUWAHDVUWREH-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2CC)C[C@H](C)O1 ZINC000111273706 171091060 /nfs/dbraw/zinc/09/10/60/171091060.db2.gz KOURZNCFPMTIGA-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000125517009 171092939 /nfs/dbraw/zinc/09/29/39/171092939.db2.gz ROYASNSDZHKLOP-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000125517009 171092940 /nfs/dbraw/zinc/09/29/40/171092940.db2.gz ROYASNSDZHKLOP-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@@H]1O ZINC000270896859 171092980 /nfs/dbraw/zinc/09/29/80/171092980.db2.gz MAOGYAPMBWNWSH-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@@H]1O ZINC000270896859 171092982 /nfs/dbraw/zinc/09/29/82/171092982.db2.gz MAOGYAPMBWNWSH-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544112 171095718 /nfs/dbraw/zinc/09/57/18/171095718.db2.gz ASRZDWYCJIROAJ-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544112 171095720 /nfs/dbraw/zinc/09/57/20/171095720.db2.gz ASRZDWYCJIROAJ-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1c(C)cnn1C ZINC000335673093 171105336 /nfs/dbraw/zinc/10/53/36/171105336.db2.gz SFBWWHPXWDOQSQ-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1c(C)cnn1C ZINC000335673093 171105339 /nfs/dbraw/zinc/10/53/39/171105339.db2.gz SFBWWHPXWDOQSQ-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000337963108 171112496 /nfs/dbraw/zinc/11/24/96/171112496.db2.gz ZXWUWAYDKBJNPR-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000337963108 171112499 /nfs/dbraw/zinc/11/24/99/171112499.db2.gz ZXWUWAYDKBJNPR-GHMZBOCLSA-N 1 2 240.347 1.107 20 0 BDADLO CCO[C@@H](CC)c1noc(Cn2cc[nH+]c2)n1 ZINC000665038498 412065493 /nfs/dbraw/zinc/06/54/93/412065493.db2.gz IAGZLDVONLBVKO-VIFPVBQESA-N 1 2 236.275 1.802 20 0 BDADLO CC[C@@H]1C[C@H](C[NH+]2CC(F)C2)CCO1 ZINC000336618705 171128647 /nfs/dbraw/zinc/12/86/47/171128647.db2.gz NEQJHSQKBYSZOI-MWLCHTKSSA-N 1 2 201.285 1.845 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338272040 171133154 /nfs/dbraw/zinc/13/31/54/171133154.db2.gz XYSPHGWOPKYPNM-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000274751678 171158228 /nfs/dbraw/zinc/15/82/28/171158228.db2.gz LKJSOPUUGUHVDC-VXGBXAGGSA-N 1 2 235.331 1.920 20 0 BDADLO CC[C@@](C)(OC)C(=O)Nc1c[nH+]ccc1OC ZINC000280517429 171191101 /nfs/dbraw/zinc/19/11/01/171191101.db2.gz KGIRAWTVMFHFID-GFCCVEGCSA-N 1 2 238.287 1.844 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000339439907 171206543 /nfs/dbraw/zinc/20/65/43/171206543.db2.gz VJRIENSXEYBURF-MFKMUULPSA-N 1 2 235.331 1.815 20 0 BDADLO CC[C@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295882946 171252242 /nfs/dbraw/zinc/25/22/42/171252242.db2.gz YOCIEYPGWKRJSB-VIFPVBQESA-N 1 2 209.293 1.565 20 0 BDADLO CC[C@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000188656128 171260481 /nfs/dbraw/zinc/26/04/81/171260481.db2.gz GUVCAPZICNLZSL-JTQLQIEISA-N 1 2 209.293 1.436 20 0 BDADLO CC[C@H](C)CN(C)C(=O)NCCn1cc[nH+]c1 ZINC000171896491 171270325 /nfs/dbraw/zinc/27/03/25/171270325.db2.gz XHAPSFDUMVYTEM-NSHDSACASA-N 1 2 238.335 1.571 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000340959547 171270890 /nfs/dbraw/zinc/27/08/90/171270890.db2.gz QPDMZQACAWCFSK-NWDGAFQWSA-N 1 2 242.363 1.212 20 0 BDADLO CCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665060271 412076241 /nfs/dbraw/zinc/07/62/41/412076241.db2.gz MAWLELHJHCJYJR-GHMZBOCLSA-N 1 2 235.331 1.830 20 0 BDADLO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](COC)C(=O)OC ZINC000355081767 171296517 /nfs/dbraw/zinc/29/65/17/171296517.db2.gz TYKLIMPRNFVQMZ-QJPTWQEYSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)C[S@@](=O)Cc1[nH+]ccn1C ZINC000129335126 171300215 /nfs/dbraw/zinc/30/02/15/171300215.db2.gz FZLKANNJJBWIBK-XPTSAGLGSA-N 1 2 214.334 1.715 20 0 BDADLO CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154300561 171321908 /nfs/dbraw/zinc/32/19/08/171321908.db2.gz UIMFMLFREXGLRL-QMMMGPOBSA-N 1 2 249.314 1.552 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000266342906 171331956 /nfs/dbraw/zinc/33/19/56/171331956.db2.gz IMPBAGUCIPNYIY-DTWKUNHWSA-N 1 2 236.319 1.500 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000277498587 171378127 /nfs/dbraw/zinc/37/81/27/171378127.db2.gz RCCAEJKTDIZUAY-BQBZGAKWSA-N 1 2 244.726 1.531 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000277498587 171378128 /nfs/dbraw/zinc/37/81/28/171378128.db2.gz RCCAEJKTDIZUAY-BQBZGAKWSA-N 1 2 244.726 1.531 20 0 BDADLO c1[nH]nnc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311602 412093827 /nfs/dbraw/zinc/09/38/27/412093827.db2.gz ZYFPMSVONCLOAW-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO c1[nH]nnc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311602 412093832 /nfs/dbraw/zinc/09/38/32/412093832.db2.gz ZYFPMSVONCLOAW-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO c1nn[nH]c1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311602 412093835 /nfs/dbraw/zinc/09/38/35/412093835.db2.gz ZYFPMSVONCLOAW-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO c1nn[nH]c1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311602 412093838 /nfs/dbraw/zinc/09/38/38/412093838.db2.gz ZYFPMSVONCLOAW-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO c1n[nH]nc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311602 412093840 /nfs/dbraw/zinc/09/38/40/412093840.db2.gz ZYFPMSVONCLOAW-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO c1n[nH]nc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311602 412093843 /nfs/dbraw/zinc/09/38/43/412093843.db2.gz ZYFPMSVONCLOAW-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@](C)(C(F)F)O1 ZINC000662360099 412123316 /nfs/dbraw/zinc/12/33/16/412123316.db2.gz PXSBGGDENASLNR-KCJUWKMLSA-N 1 2 245.273 1.654 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@](C)(C(F)F)O1 ZINC000662360099 412123322 /nfs/dbraw/zinc/12/33/22/412123322.db2.gz PXSBGGDENASLNR-KCJUWKMLSA-N 1 2 245.273 1.654 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@](C)(C(F)F)C1 ZINC000662370922 412126942 /nfs/dbraw/zinc/12/69/42/412126942.db2.gz HUVUCRMOWRFHPG-LLVKDONJSA-N 1 2 245.273 1.276 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC3CC2(C)C3)on1 ZINC000662379789 412132251 /nfs/dbraw/zinc/13/22/51/412132251.db2.gz AIVKMPURYUSMJU-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC3CC2(C)C3)on1 ZINC000662379789 412132255 /nfs/dbraw/zinc/13/22/55/412132255.db2.gz AIVKMPURYUSMJU-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(NCc2c[nH+]cn2C)o1 ZINC000630962827 412154367 /nfs/dbraw/zinc/15/43/67/412154367.db2.gz SQZOOEXBKUDVJD-APPZFPTMSA-N 1 2 233.275 1.539 20 0 BDADLO CNC(=O)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000530730068 412284287 /nfs/dbraw/zinc/28/42/87/412284287.db2.gz RTWZCAKNJRFSDE-MRVPVSSYSA-N 1 2 234.303 1.209 20 0 BDADLO Oc1ccc(C[NH2+]C(CF)CF)cc1F ZINC000894668128 583503457 /nfs/dbraw/zinc/50/34/57/583503457.db2.gz QVDLTAPLPBRWBR-UHFFFAOYSA-N 1 2 219.206 1.929 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnn1CC ZINC000120432386 171671921 /nfs/dbraw/zinc/67/19/21/171671921.db2.gz YTVCQXKYARILSG-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnn1CC ZINC000120432386 171671923 /nfs/dbraw/zinc/67/19/23/171671923.db2.gz YTVCQXKYARILSG-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2cc(C3CC3)[nH]n2)C1 ZINC000616335390 412331446 /nfs/dbraw/zinc/33/14/46/412331446.db2.gz QLSGJFWZSAKCAV-UHFFFAOYSA-N 1 2 248.330 1.567 20 0 BDADLO CCCCc1cc(NC[C@@H]2CCC(=O)N2)nc[nH+]1 ZINC000631364475 412347081 /nfs/dbraw/zinc/34/70/81/412347081.db2.gz MMCWBAKSKMUGPI-NSHDSACASA-N 1 2 248.330 1.510 20 0 BDADLO Nc1[nH+]cnc(NCC23CC(C2)CO3)c1Cl ZINC000528184626 412303764 /nfs/dbraw/zinc/30/37/64/412303764.db2.gz NQOZDAATSNDEEU-UHFFFAOYSA-N 1 2 240.694 1.303 20 0 BDADLO Nc1nc[nH+]c(NCC23CC(C2)CO3)c1Cl ZINC000528184626 412303766 /nfs/dbraw/zinc/30/37/66/412303766.db2.gz NQOZDAATSNDEEU-UHFFFAOYSA-N 1 2 240.694 1.303 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000334140241 171745969 /nfs/dbraw/zinc/74/59/69/171745969.db2.gz DLQBJDOFPLCZDP-XCBNKYQSSA-N 1 2 240.253 1.906 20 0 BDADLO CCN1C(=O)C(C)(C)N[C@@H]1c1c[nH+]c2n1CCC2 ZINC000663231872 412395503 /nfs/dbraw/zinc/39/55/03/412395503.db2.gz QEPIUHYBSRHDHK-NSHDSACASA-N 1 2 248.330 1.058 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)[nH]1 ZINC000358270688 172001703 /nfs/dbraw/zinc/00/17/03/172001703.db2.gz XJDYNSNPBKRMFP-DTWKUNHWSA-N 1 2 246.318 1.569 20 0 BDADLO CCc1nc([C@@H]2CCCN2Cc2c[nH+]c[nH]2)no1 ZINC000371382264 172004657 /nfs/dbraw/zinc/00/46/57/172004657.db2.gz IFOTWIDBNVXILR-JTQLQIEISA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nc([C@@H]2CCCN2Cc2c[nH]c[nH+]2)no1 ZINC000371382264 172004659 /nfs/dbraw/zinc/00/46/59/172004659.db2.gz IFOTWIDBNVXILR-JTQLQIEISA-N 1 2 247.302 1.692 20 0 BDADLO CCc1nnc(C[N@H+]2CC=C(C)CC2)o1 ZINC000270388648 172049203 /nfs/dbraw/zinc/04/92/03/172049203.db2.gz XRDXUTJWRHGXCE-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCc1nnc(C[N@@H+]2CC=C(C)CC2)o1 ZINC000270388648 172049207 /nfs/dbraw/zinc/04/92/07/172049207.db2.gz XRDXUTJWRHGXCE-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2cn[nH]c2)s1 ZINC000309636287 172053387 /nfs/dbraw/zinc/05/33/87/172053387.db2.gz JNBAABVKUOQDPE-SSDOTTSWSA-N 1 2 237.332 1.674 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CCn2cccn2)n1 ZINC000111279850 172088735 /nfs/dbraw/zinc/08/87/35/172088735.db2.gz KHFQIXAUJKCSRD-SNVBAGLBSA-N 1 2 249.318 1.522 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CCn2cccn2)n1 ZINC000111279850 172088737 /nfs/dbraw/zinc/08/87/37/172088737.db2.gz KHFQIXAUJKCSRD-SNVBAGLBSA-N 1 2 249.318 1.522 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cnc(C)cn1 ZINC000339602071 172096085 /nfs/dbraw/zinc/09/60/85/172096085.db2.gz MCJINXAMSLLAIL-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cnc(C)cn1 ZINC000339602071 172096086 /nfs/dbraw/zinc/09/60/86/172096086.db2.gz MCJINXAMSLLAIL-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1occc1C(=O)NCc1[nH+]ccn1C ZINC000280424461 172117076 /nfs/dbraw/zinc/11/70/76/172117076.db2.gz BTKHQFRRYCDMOP-UHFFFAOYSA-N 1 2 233.271 1.506 20 0 BDADLO CCc1ocnc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000330483274 172119375 /nfs/dbraw/zinc/11/93/75/172119375.db2.gz ZGNJHBIQYSWHMS-UHFFFAOYSA-N 1 2 248.286 1.243 20 0 BDADLO CCc1ocnc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000265782980 172120897 /nfs/dbraw/zinc/12/08/97/172120897.db2.gz KGWPQTFRJWFKQL-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO CCn1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000360338928 172164879 /nfs/dbraw/zinc/16/48/79/172164879.db2.gz VUKLFXZVJKLECY-LBPRGKRZSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cn1 ZINC000360338928 172164880 /nfs/dbraw/zinc/16/48/80/172164880.db2.gz VUKLFXZVJKLECY-LBPRGKRZSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cn1 ZINC000360338928 172164881 /nfs/dbraw/zinc/16/48/81/172164881.db2.gz VUKLFXZVJKLECY-LBPRGKRZSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000092017351 172167308 /nfs/dbraw/zinc/16/73/08/172167308.db2.gz UMZOBOMDZSTHOB-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000092017351 172167313 /nfs/dbraw/zinc/16/73/13/172167313.db2.gz UMZOBOMDZSTHOB-QWRGUYRKSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCCc3[nH]ncc32)cn1 ZINC000367612144 172175589 /nfs/dbraw/zinc/17/55/89/172175589.db2.gz CZSKJERVUWFGRT-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CCn1cc(CNc2ccc(N(C)C)[nH+]c2)cn1 ZINC000162955919 172176227 /nfs/dbraw/zinc/17/62/27/172176227.db2.gz GMJZHLNEGBDQDC-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCn1cc(Nc2[nH+]cnc3[nH]ccc32)cn1 ZINC000339139427 172190158 /nfs/dbraw/zinc/19/01/58/172190158.db2.gz FJOPSALZQZAXGP-UHFFFAOYSA-N 1 2 228.259 1.918 20 0 BDADLO CCn1cccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000353722241 172203775 /nfs/dbraw/zinc/20/37/75/172203775.db2.gz RRMNYMRQSQLFDZ-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1cccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353722241 172203778 /nfs/dbraw/zinc/20/37/78/172203778.db2.gz RRMNYMRQSQLFDZ-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@@](F)(CO)C1 ZINC000367846123 172221023 /nfs/dbraw/zinc/22/10/23/172221023.db2.gz CLGQPFQNPUTKPI-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]1C ZINC000296457678 172221635 /nfs/dbraw/zinc/22/16/35/172221635.db2.gz VNNGQOANQXTDLV-RKDXNWHRSA-N 1 2 222.292 1.111 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)C(C)(F)F ZINC000295555475 172221739 /nfs/dbraw/zinc/22/17/39/172221739.db2.gz MHJDRHPJKQHUPJ-QMMMGPOBSA-N 1 2 245.273 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(CC)CC1 ZINC000295779479 172221828 /nfs/dbraw/zinc/22/18/28/172221828.db2.gz QAFLXWVQVMJTIN-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000295811213 172221832 /nfs/dbraw/zinc/22/18/32/172221832.db2.gz SPUCVJCLYMNYOD-IAZYJMLFSA-N 1 2 233.315 1.565 20 0 BDADLO CCn1cc[nH+]c1CN1CCn2cnnc2[C@@H]1C ZINC000361654492 172222681 /nfs/dbraw/zinc/22/26/81/172222681.db2.gz LCDWZEAAZWPJEH-JTQLQIEISA-N 1 2 246.318 1.071 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NCC(F)(F)CO ZINC000296519385 172227184 /nfs/dbraw/zinc/22/71/84/172227184.db2.gz QYRLLXNUNFWTTD-MRVPVSSYSA-N 1 2 233.262 1.181 20 0 BDADLO CCn1nc(C)c(CNc2cccc[nH+]2)n1 ZINC000296565626 172246595 /nfs/dbraw/zinc/24/65/95/172246595.db2.gz VOLQZTOZPCNMES-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCn1nc(C)c(CNc2c[nH+]ccc2OC)n1 ZINC000295717160 172246635 /nfs/dbraw/zinc/24/66/35/172246635.db2.gz NJCFILIVEWHFRU-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccc(O)cc2)n1 ZINC000295004597 172247794 /nfs/dbraw/zinc/24/77/94/172247794.db2.gz IKPZGVZAVLCEPY-UHFFFAOYSA-N 1 2 246.314 1.602 20 0 BDADLO CCn1nccc1CN(C)Cc1c[nH+]cn1C ZINC000352365599 172264737 /nfs/dbraw/zinc/26/47/37/172264737.db2.gz UJFOQJXWLWHHSI-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000179898730 172266953 /nfs/dbraw/zinc/26/69/53/172266953.db2.gz DYJBBHQXHQQPNW-NSHDSACASA-N 1 2 237.303 1.040 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@H]1C(=O)OC ZINC000179898730 172266955 /nfs/dbraw/zinc/26/69/55/172266955.db2.gz DYJBBHQXHQQPNW-NSHDSACASA-N 1 2 237.303 1.040 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000179898717 172267561 /nfs/dbraw/zinc/26/75/61/172267561.db2.gz DYJBBHQXHQQPNW-LLVKDONJSA-N 1 2 237.303 1.040 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000179898717 172267564 /nfs/dbraw/zinc/26/75/64/172267564.db2.gz DYJBBHQXHQQPNW-LLVKDONJSA-N 1 2 237.303 1.040 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000355221227 172268247 /nfs/dbraw/zinc/26/82/47/172268247.db2.gz OBKSHEFWJQSNRE-FZMZJTMJSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000355221227 172268250 /nfs/dbraw/zinc/26/82/50/172268250.db2.gz OBKSHEFWJQSNRE-FZMZJTMJSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1ncnc1C[N@H+](C)CC1(O)CCCC1 ZINC000162219617 172278341 /nfs/dbraw/zinc/27/83/41/172278341.db2.gz FXCTZVSXGKSMJF-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CC1(O)CCCC1 ZINC000162219617 172278345 /nfs/dbraw/zinc/27/83/45/172278345.db2.gz FXCTZVSXGKSMJF-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000193561704 172279138 /nfs/dbraw/zinc/27/91/38/172279138.db2.gz PKPWNDFGFQMTDW-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CCn1ncnc1C[N@H+]1CCCC2(CC2)C1 ZINC000193561704 172279141 /nfs/dbraw/zinc/27/91/41/172279141.db2.gz PKPWNDFGFQMTDW-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CCn1ncnc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000362924539 172279373 /nfs/dbraw/zinc/27/93/73/172279373.db2.gz PUHCRVFYUWRKOC-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000362924539 172279375 /nfs/dbraw/zinc/27/93/75/172279375.db2.gz PUHCRVFYUWRKOC-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CN(C)C(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000359146256 172357270 /nfs/dbraw/zinc/35/72/70/172357270.db2.gz XNNBJIOEWWQMGZ-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO CN(C)C(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000359146256 172357271 /nfs/dbraw/zinc/35/72/71/172357271.db2.gz XNNBJIOEWWQMGZ-UHFFFAOYSA-N 1 2 220.263 1.194 20 0 BDADLO CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177786407 172380998 /nfs/dbraw/zinc/38/09/98/172380998.db2.gz OFIJUCLMFARVRZ-UHFFFAOYSA-N 1 2 218.260 1.106 20 0 BDADLO C[N@@H+]1CCN(C(=O)c2cncs2)C(C)(C)C1 ZINC000270950363 173073743 /nfs/dbraw/zinc/07/37/43/173073743.db2.gz VCVCPCJBNUCZLI-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO C[N@H+]1CCN(C(=O)c2cncs2)C(C)(C)C1 ZINC000270950363 173073745 /nfs/dbraw/zinc/07/37/45/173073745.db2.gz VCVCPCJBNUCZLI-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CN1CC[N@H+](Cc2ccncc2)C(C)(C)C1=O ZINC000156785882 173089382 /nfs/dbraw/zinc/08/93/82/173089382.db2.gz WZJJUDQRLGXEBQ-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN1CC[N@@H+](Cc2ccncc2)C(C)(C)C1=O ZINC000156785882 173089384 /nfs/dbraw/zinc/08/93/84/173089384.db2.gz WZJJUDQRLGXEBQ-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(F)c2)C1 ZINC000174360134 173106958 /nfs/dbraw/zinc/10/69/58/173106958.db2.gz XIDAHVNOEZFALU-NSHDSACASA-N 1 2 238.262 1.095 20 0 BDADLO C[N@H+]1CCO[C@H](C(=O)Nc2cccc(F)c2)C1 ZINC000174360134 173106960 /nfs/dbraw/zinc/10/69/60/173106960.db2.gz XIDAHVNOEZFALU-NSHDSACASA-N 1 2 238.262 1.095 20 0 BDADLO CN1CC[C@H](Sc2[nH+]cc3ccccn32)C1=O ZINC000265223780 173156044 /nfs/dbraw/zinc/15/60/44/173156044.db2.gz SVQDDDLUDOVOLJ-JTQLQIEISA-N 1 2 247.323 1.657 20 0 BDADLO CN(CC1CCC1)c1ncnc2c1C[N@H+](C)CC2 ZINC000364208773 173174984 /nfs/dbraw/zinc/17/49/84/173174984.db2.gz SRKWRJWJZXOOMD-UHFFFAOYSA-N 1 2 246.358 1.701 20 0 BDADLO CN(CC1CCC1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000364208773 173174987 /nfs/dbraw/zinc/17/49/87/173174987.db2.gz SRKWRJWJZXOOMD-UHFFFAOYSA-N 1 2 246.358 1.701 20 0 BDADLO CNc1ccc(Nc2nc(C)cc(OC)n2)c[nH+]1 ZINC000339664527 173209652 /nfs/dbraw/zinc/20/96/52/173209652.db2.gz VLJLVBGEEAQBFN-UHFFFAOYSA-N 1 2 245.286 1.396 20 0 BDADLO CNC(=O)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265362884 173243806 /nfs/dbraw/zinc/24/38/06/173243806.db2.gz MQQKLAGCENSJHJ-UHFFFAOYSA-N 1 2 248.330 1.601 20 0 BDADLO CNC(=O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267252459 173274828 /nfs/dbraw/zinc/27/48/28/173274828.db2.gz ZQDRFOHXWFUJEC-NSHDSACASA-N 1 2 238.718 1.833 20 0 BDADLO CNC(=O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267252459 173274829 /nfs/dbraw/zinc/27/48/29/173274829.db2.gz ZQDRFOHXWFUJEC-NSHDSACASA-N 1 2 238.718 1.833 20 0 BDADLO CNC(=O)c1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000340401699 173311849 /nfs/dbraw/zinc/31/18/49/173311849.db2.gz PDLFJGCPMONAEV-UHFFFAOYSA-N 1 2 244.298 1.059 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000042227138 173580323 /nfs/dbraw/zinc/58/03/23/173580323.db2.gz DUALUIIPSZAFPY-QMMMGPOBSA-N 1 2 213.302 1.914 20 0 BDADLO COC(=O)c1cc(C[NH2+]CC(F)F)cn1C ZINC000309501722 173854977 /nfs/dbraw/zinc/85/49/77/173854977.db2.gz ZZLNIJGWRCZIKQ-UHFFFAOYSA-N 1 2 232.230 1.166 20 0 BDADLO COC1(CNc2ccc(C)[nH+]c2)CCOCC1 ZINC000277068653 174006877 /nfs/dbraw/zinc/00/68/77/174006877.db2.gz SDSLUUGLHYTUPB-UHFFFAOYSA-N 1 2 236.315 1.998 20 0 BDADLO COCC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293575312 174069217 /nfs/dbraw/zinc/06/92/17/174069217.db2.gz AJQLMUVCHPZUOC-SNAWJCMRSA-N 1 2 237.303 1.212 20 0 BDADLO COCC1(C(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000284464453 174088354 /nfs/dbraw/zinc/08/83/54/174088354.db2.gz WUSCINSYMPSANL-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO COCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000282841275 174100115 /nfs/dbraw/zinc/10/01/15/174100115.db2.gz RKWTTYHLZSYVSD-ONEGZZNKSA-N 1 2 249.314 1.356 20 0 BDADLO COCC1(O)CC[NH+](Cc2cscn2)CC1 ZINC000270404674 174110764 /nfs/dbraw/zinc/11/07/64/174110764.db2.gz VYKOECINEJBOFU-UHFFFAOYSA-N 1 2 242.344 1.116 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000297529292 174113577 /nfs/dbraw/zinc/11/35/77/174113577.db2.gz NVXAVWRYZNWMAH-UHFFFAOYSA-N 1 2 239.290 1.327 20 0 BDADLO COCCCOCC[N@H+](C)Cc1cscn1 ZINC000091101776 174254772 /nfs/dbraw/zinc/25/47/72/174254772.db2.gz GGBMDVFAHCHQAY-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1cscn1 ZINC000091101776 174254773 /nfs/dbraw/zinc/25/47/73/174254773.db2.gz GGBMDVFAHCHQAY-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO COCC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000270606619 174280986 /nfs/dbraw/zinc/28/09/86/174280986.db2.gz MSBXQKHVGCKUJQ-UHFFFAOYSA-N 1 2 210.277 1.630 20 0 BDADLO COCC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000270606619 174280988 /nfs/dbraw/zinc/28/09/88/174280988.db2.gz MSBXQKHVGCKUJQ-UHFFFAOYSA-N 1 2 210.277 1.630 20 0 BDADLO COCC[N@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000267068750 174281517 /nfs/dbraw/zinc/28/15/17/174281517.db2.gz VKFYZTKXXDZCBD-VIFPVBQESA-N 1 2 244.360 1.929 20 0 BDADLO COCC[N@@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000267068750 174281518 /nfs/dbraw/zinc/28/15/18/174281518.db2.gz VKFYZTKXXDZCBD-VIFPVBQESA-N 1 2 244.360 1.929 20 0 BDADLO COCCN1CC[NH+](Cc2cccnc2C)CC1 ZINC000123021458 174309365 /nfs/dbraw/zinc/30/93/65/174309365.db2.gz BNGDEDCGOWQCCS-UHFFFAOYSA-N 1 2 249.358 1.154 20 0 BDADLO COCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000274491803 174311442 /nfs/dbraw/zinc/31/14/42/174311442.db2.gz HJECDIKEONLFAI-VIFPVBQESA-N 1 2 244.385 1.879 20 0 BDADLO COCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000274491803 174311443 /nfs/dbraw/zinc/31/14/43/174311443.db2.gz HJECDIKEONLFAI-VIFPVBQESA-N 1 2 244.385 1.879 20 0 BDADLO COCCOCCN(C)c1cccc[nH+]1 ZINC000288719150 174353179 /nfs/dbraw/zinc/35/31/79/174353179.db2.gz CWUJNFFMEGKECJ-UHFFFAOYSA-N 1 2 210.277 1.181 20 0 BDADLO COCc1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000109600604 174650379 /nfs/dbraw/zinc/65/03/79/174650379.db2.gz DCFYWXYDMVGFEL-UHFFFAOYSA-N 1 2 219.244 1.510 20 0 BDADLO COc1cc(NCCNc2cccc[nH+]2)ncn1 ZINC000274599613 175002673 /nfs/dbraw/zinc/00/26/73/175002673.db2.gz MHDJSECRQFTJEO-UHFFFAOYSA-N 1 2 245.286 1.404 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)nn1 ZINC000295296702 175100619 /nfs/dbraw/zinc/10/06/19/175100619.db2.gz FDMPAVAEFXNCBL-LBPRGKRZSA-N 1 2 239.294 1.809 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@](C)(F)C2)nn1 ZINC000295296702 175100620 /nfs/dbraw/zinc/10/06/20/175100620.db2.gz FDMPAVAEFXNCBL-LBPRGKRZSA-N 1 2 239.294 1.809 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)nc1 ZINC000338269947 175101255 /nfs/dbraw/zinc/10/12/55/175101255.db2.gz IVNDTFLYBULCSZ-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)nc1 ZINC000338269947 175101257 /nfs/dbraw/zinc/10/12/57/175101257.db2.gz IVNDTFLYBULCSZ-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC2(C)C)nn1 ZINC000283664530 175101307 /nfs/dbraw/zinc/10/13/07/175101307.db2.gz UUXDEUOEFAWHDT-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC2(C)C)nn1 ZINC000283664530 175101308 /nfs/dbraw/zinc/10/13/08/175101308.db2.gz UUXDEUOEFAWHDT-UHFFFAOYSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC3(CC3)C2)nn1 ZINC000338290299 175101345 /nfs/dbraw/zinc/10/13/45/175101345.db2.gz QYTRQDLYEHOZFC-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC3(CC3)C2)nn1 ZINC000338290299 175101346 /nfs/dbraw/zinc/10/13/46/175101346.db2.gz QYTRQDLYEHOZFC-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)nn1 ZINC000283072648 175101589 /nfs/dbraw/zinc/10/15/89/175101589.db2.gz KERRHEFEYNDNDB-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)nn1 ZINC000283072648 175101591 /nfs/dbraw/zinc/10/15/91/175101591.db2.gz KERRHEFEYNDNDB-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000155960638 175101642 /nfs/dbraw/zinc/10/16/42/175101642.db2.gz MSZKMPJFFWKNFN-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000155960638 175101644 /nfs/dbraw/zinc/10/16/44/175101644.db2.gz MSZKMPJFFWKNFN-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1C ZINC000366546607 175101695 /nfs/dbraw/zinc/10/16/95/175101695.db2.gz VOHBENZBGMMVGT-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1C ZINC000366546607 175101698 /nfs/dbraw/zinc/10/16/98/175101698.db2.gz VOHBENZBGMMVGT-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1ncc[nH]1 ZINC000189202657 175130216 /nfs/dbraw/zinc/13/02/16/175130216.db2.gz TYMNTFMRTGITDZ-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2nnc[nH]2)c1 ZINC000037919323 175293485 /nfs/dbraw/zinc/29/34/85/175293485.db2.gz PEWKIODVGZGAOQ-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccccc1OC(=O)[C@H]1CCC[N@@H+]1C ZINC000264623708 175340660 /nfs/dbraw/zinc/34/06/60/175340660.db2.gz MBAFJTAFYLNXMF-SNVBAGLBSA-N 1 2 235.283 1.695 20 0 BDADLO COc1ccccc1OC(=O)[C@H]1CCC[N@H+]1C ZINC000264623708 175340662 /nfs/dbraw/zinc/34/06/62/175340662.db2.gz MBAFJTAFYLNXMF-SNVBAGLBSA-N 1 2 235.283 1.695 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nncn1C ZINC000038007607 175346543 /nfs/dbraw/zinc/34/65/43/175346543.db2.gz FUCDMVLQUMTXTK-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000264398720 175358759 /nfs/dbraw/zinc/35/87/59/175358759.db2.gz GMILCZZGTIJFPN-KBPBESRZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000264398720 175358761 /nfs/dbraw/zinc/35/87/61/175358761.db2.gz GMILCZZGTIJFPN-KBPBESRZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000264398720 175358762 /nfs/dbraw/zinc/35/87/62/175358762.db2.gz GMILCZZGTIJFPN-KBPBESRZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CC[C@@H](C)C1 ZINC000293010278 175369417 /nfs/dbraw/zinc/36/94/17/175369417.db2.gz OOCTULUNBRXSBX-SNVBAGLBSA-N 1 2 249.314 1.642 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)/C=C/C1CC1 ZINC000294721870 175370850 /nfs/dbraw/zinc/37/08/50/175370850.db2.gz WTQITKXFCRVPMR-SNAWJCMRSA-N 1 2 232.283 1.673 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H](C)SC ZINC000293311586 175371188 /nfs/dbraw/zinc/37/11/88/175371188.db2.gz JBFKBADOCRRUCM-QMMMGPOBSA-N 1 2 240.328 1.458 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1ccncc1 ZINC000355169562 175375197 /nfs/dbraw/zinc/37/51/97/175375197.db2.gz ZCVCAYQXZOXDKL-UHFFFAOYSA-N 1 2 243.266 1.666 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](O)C(C)C ZINC000291602826 175375358 /nfs/dbraw/zinc/37/53/58/175375358.db2.gz XKBVNTGWHBZZRT-JTQLQIEISA-N 1 2 224.260 1.046 20 0 BDADLO COc1cc[nH+]cc1NCc1c(C)cnn1C ZINC000285076607 175376073 /nfs/dbraw/zinc/37/60/73/175376073.db2.gz JMGWCYKLRQNZMF-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[C@@H](O)c1ncc(C[N@@H+]2CCCOCC2)s1 ZINC000367377372 176000471 /nfs/dbraw/zinc/00/04/71/176000471.db2.gz JTFKLOXVSGCWOV-SECBINFHSA-N 1 2 242.344 1.419 20 0 BDADLO C[C@@H](O)c1ncc(C[N@H+]2CCCOCC2)s1 ZINC000367377372 176000473 /nfs/dbraw/zinc/00/04/73/176000473.db2.gz JTFKLOXVSGCWOV-SECBINFHSA-N 1 2 242.344 1.419 20 0 BDADLO C[C@@H](O)c1ncc(C[NH+]2CCSCC2)s1 ZINC000289028065 176001019 /nfs/dbraw/zinc/00/10/19/176001019.db2.gz GUMVTTRENHVGOD-MRVPVSSYSA-N 1 2 244.385 1.745 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC1OCCO1 ZINC000182105272 176032260 /nfs/dbraw/zinc/03/22/60/176032260.db2.gz RCZBTWOKDBHTTH-VIFPVBQESA-N 1 2 211.261 1.645 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC1OCCO1 ZINC000182105272 176032261 /nfs/dbraw/zinc/03/22/61/176032261.db2.gz RCZBTWOKDBHTTH-VIFPVBQESA-N 1 2 211.261 1.645 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342193762 176036537 /nfs/dbraw/zinc/03/65/37/176036537.db2.gz CBNHGOWBFOGYIU-GARJFASQSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342193762 176036538 /nfs/dbraw/zinc/03/65/38/176036538.db2.gz CBNHGOWBFOGYIU-GARJFASQSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000274352968 176036619 /nfs/dbraw/zinc/03/66/19/176036619.db2.gz SZAHHUCWOYPRMN-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCc2n[nH]cc2C1 ZINC000274352968 176036621 /nfs/dbraw/zinc/03/66/21/176036621.db2.gz SZAHHUCWOYPRMN-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCCOCC1 ZINC000374027993 176038158 /nfs/dbraw/zinc/03/81/58/176038158.db2.gz VJLSFAIDWAOGSZ-VIFPVBQESA-N 1 2 237.303 1.730 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCCOCC1 ZINC000374027993 176038160 /nfs/dbraw/zinc/03/81/60/176038160.db2.gz VJLSFAIDWAOGSZ-VIFPVBQESA-N 1 2 237.303 1.730 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000285993253 176060423 /nfs/dbraw/zinc/06/04/23/176060423.db2.gz OOGLBIMQCLEFSM-NXEZZACHSA-N 1 2 219.288 1.628 20 0 BDADLO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000154687330 176108125 /nfs/dbraw/zinc/10/81/25/176108125.db2.gz HGPDJIMXWURLSQ-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO C[C@@H]1CCC[N@H+]1CC(=O)Nc1nccs1 ZINC000154687330 176108128 /nfs/dbraw/zinc/10/81/28/176108128.db2.gz HGPDJIMXWURLSQ-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO C[C@@H]1CCC[C@@]1(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293980840 176134176 /nfs/dbraw/zinc/13/41/76/176134176.db2.gz CAMSFAXWANVMDB-FYDKOMJYSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276634094 176153647 /nfs/dbraw/zinc/15/36/47/176153647.db2.gz TYXQCSMXJLQOBM-GKQMSVHHSA-N 1 2 205.261 1.291 20 0 BDADLO C[C@@H]1CCN(C(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000127856227 176156511 /nfs/dbraw/zinc/15/65/11/176156511.db2.gz BUVZOLVHHJOGEH-MNOVXSKESA-N 1 2 236.319 1.448 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CCS1 ZINC000336430728 176156566 /nfs/dbraw/zinc/15/65/66/176156566.db2.gz QJSADUXLJKKXHA-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@@H]2COCCO2)CC1(F)F ZINC000336264167 176172121 /nfs/dbraw/zinc/17/21/21/176172121.db2.gz UEKQSXRWEXOJIC-NXEZZACHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)CC1(F)F ZINC000336264167 176172122 /nfs/dbraw/zinc/17/21/22/176172122.db2.gz UEKQSXRWEXOJIC-NXEZZACHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1cscn1 ZINC000367665620 176189953 /nfs/dbraw/zinc/18/99/53/176189953.db2.gz UUCQXYKINAFMDB-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1cscn1 ZINC000367665620 176189954 /nfs/dbraw/zinc/18/99/54/176189954.db2.gz UUCQXYKINAFMDB-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378521508 176193471 /nfs/dbraw/zinc/19/34/71/176193471.db2.gz QARMVVHTMKNLGR-OUAUKWLOSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1ccc(N[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000049235907 487633261 /nfs/dbraw/zinc/63/32/61/487633261.db2.gz LDHZSSGYOLIRFD-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000336536574 176219464 /nfs/dbraw/zinc/21/94/64/176219464.db2.gz BEFVLYNKDSNTEL-ZJUUUORDSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)c2cccn2C)[C@@H]1C ZINC000293510829 176285242 /nfs/dbraw/zinc/28/52/42/176285242.db2.gz VCSGDUNIXLFLFQ-NXEZZACHSA-N 1 2 206.289 1.548 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)c2cccn2C)[C@@H]1C ZINC000293510829 176285243 /nfs/dbraw/zinc/28/52/43/176285243.db2.gz VCSGDUNIXLFLFQ-NXEZZACHSA-N 1 2 206.289 1.548 20 0 BDADLO C[C@@H]1C[N@H+](CCOc2ccccc2)CCC1=O ZINC000042896699 176292389 /nfs/dbraw/zinc/29/23/89/176292389.db2.gz YHBZOMKQQJTVKG-GFCCVEGCSA-N 1 2 233.311 1.976 20 0 BDADLO C[C@@H]1C[N@@H+](CCOc2ccccc2)CCC1=O ZINC000042896699 176292390 /nfs/dbraw/zinc/29/23/90/176292390.db2.gz YHBZOMKQQJTVKG-GFCCVEGCSA-N 1 2 233.311 1.976 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2ncccn2)CCO1 ZINC000188208229 176292812 /nfs/dbraw/zinc/29/28/12/176292812.db2.gz TYSNOLBSNJTPTB-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2ncccn2)CCO1 ZINC000188208229 176292815 /nfs/dbraw/zinc/29/28/15/176292815.db2.gz TYSNOLBSNJTPTB-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccccc2)CC[S@]1=O ZINC000336571995 176294313 /nfs/dbraw/zinc/29/43/13/176294313.db2.gz UUHDNEOMCRSRKF-MLGOLLRUSA-N 1 2 237.368 1.682 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccccc2)CC[S@]1=O ZINC000336571995 176294314 /nfs/dbraw/zinc/29/43/14/176294314.db2.gz UUHDNEOMCRSRKF-MLGOLLRUSA-N 1 2 237.368 1.682 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCC1=O ZINC000334182543 176299368 /nfs/dbraw/zinc/29/93/68/176299368.db2.gz BYWDSEDKRXTJGX-VXNVDRBHSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCC1=O ZINC000334182543 176299370 /nfs/dbraw/zinc/29/93/70/176299370.db2.gz BYWDSEDKRXTJGX-VXNVDRBHSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CC[S@]1=O ZINC000359867324 176299808 /nfs/dbraw/zinc/29/98/08/176299808.db2.gz BSRMBGOLVVAMQJ-GLKRBJQHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)O2)CC[S@]1=O ZINC000359867324 176299809 /nfs/dbraw/zinc/29/98/09/176299809.db2.gz BSRMBGOLVVAMQJ-GLKRBJQHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CC(=O)N1 ZINC000095930151 176305957 /nfs/dbraw/zinc/30/59/57/176305957.db2.gz YOWDLUNPZVDDRV-SNVBAGLBSA-N 1 2 204.273 1.007 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC(=O)N1 ZINC000095930151 176305959 /nfs/dbraw/zinc/30/59/59/176305959.db2.gz YOWDLUNPZVDDRV-SNVBAGLBSA-N 1 2 204.273 1.007 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccn(C)c2)C[C@@H](C)S1=O ZINC000336628113 176307216 /nfs/dbraw/zinc/30/72/16/176307216.db2.gz RHNOSSANGIUYGM-GHMZBOCLSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CCC1(F)F ZINC000336603940 176308460 /nfs/dbraw/zinc/30/84/60/176308460.db2.gz KOTMDZAHOYXQIO-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CCC1(F)F ZINC000336603940 176308462 /nfs/dbraw/zinc/30/84/62/176308462.db2.gz KOTMDZAHOYXQIO-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2)CCC1=O ZINC000049693654 176309656 /nfs/dbraw/zinc/30/96/56/176309656.db2.gz WPNGPNTYDIBHRQ-SNVBAGLBSA-N 1 2 204.273 1.493 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2)CCC1=O ZINC000049693654 176309658 /nfs/dbraw/zinc/30/96/58/176309658.db2.gz WPNGPNTYDIBHRQ-SNVBAGLBSA-N 1 2 204.273 1.493 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cocn2)C[C@@]2(CCOC2)O1 ZINC000280131271 176310885 /nfs/dbraw/zinc/31/08/85/176310885.db2.gz CKFDUIOQWJUBMJ-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cocn2)C[C@@]2(CCOC2)O1 ZINC000280131271 176310886 /nfs/dbraw/zinc/31/08/86/176310886.db2.gz CKFDUIOQWJUBMJ-ZYHUDNBSSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1CO ZINC000332615220 176312214 /nfs/dbraw/zinc/31/22/14/176312214.db2.gz CPEOIESVJMQRMS-RQJHMYQMSA-N 1 2 247.245 1.067 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1CO ZINC000332615220 176312215 /nfs/dbraw/zinc/31/22/15/176312215.db2.gz CPEOIESVJMQRMS-RQJHMYQMSA-N 1 2 247.245 1.067 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228246 176317364 /nfs/dbraw/zinc/31/73/64/176317364.db2.gz OFTZEGHTUSNPTE-RNCFNFMXSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228246 176317365 /nfs/dbraw/zinc/31/73/65/176317365.db2.gz OFTZEGHTUSNPTE-RNCFNFMXSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349772 176317458 /nfs/dbraw/zinc/31/74/58/176317458.db2.gz HHPJUWWIYGIKJZ-PWSUYJOCSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)Cc2ccccc2O1 ZINC000292349772 176317460 /nfs/dbraw/zinc/31/74/60/176317460.db2.gz HHPJUWWIYGIKJZ-PWSUYJOCSA-N 1 2 247.294 1.585 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000378283414 176333459 /nfs/dbraw/zinc/33/34/59/176333459.db2.gz MPWSIMUHWFHNBL-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000378283414 176333460 /nfs/dbraw/zinc/33/34/60/176333460.db2.gz MPWSIMUHWFHNBL-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO C[C@@H]1COCCN1Cc1cccc2[nH+]ccn21 ZINC000271741351 176337355 /nfs/dbraw/zinc/33/73/55/176337355.db2.gz RAZPEUCZSULDFO-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc2nccn21 ZINC000271741351 176337356 /nfs/dbraw/zinc/33/73/56/176337356.db2.gz RAZPEUCZSULDFO-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc2nccn21 ZINC000271741351 176337357 /nfs/dbraw/zinc/33/73/57/176337357.db2.gz RAZPEUCZSULDFO-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1CSCCN1C(=O)CCn1cc[nH+]c1 ZINC000265662159 176350529 /nfs/dbraw/zinc/35/05/29/176350529.db2.gz YLACYEHMJHMZAW-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000073172277 176359748 /nfs/dbraw/zinc/35/97/48/176359748.db2.gz PYANPBVSPVLTCX-GHMZBOCLSA-N 1 2 221.304 1.388 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)NCC2CCC2)c2[nH+]ccn21 ZINC000333810625 176373641 /nfs/dbraw/zinc/37/36/41/176373641.db2.gz HXPSVQDSACFDOP-MWLCHTKSSA-N 1 2 248.330 1.988 20 0 BDADLO C[C@@H]1C[C@@H](O)CN1c1[nH+]c2ccccc2n1C ZINC000335857459 176383219 /nfs/dbraw/zinc/38/32/19/176383219.db2.gz ZHBOMOMIGHHKBB-NXEZZACHSA-N 1 2 231.299 1.533 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000352485767 176389704 /nfs/dbraw/zinc/38/97/04/176389704.db2.gz HQUVLSINUBZRTG-ZYHUDNBSSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000352620353 176390156 /nfs/dbraw/zinc/39/01/56/176390156.db2.gz BXXKNYAUFAVJPV-NXEZZACHSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276567193 176391732 /nfs/dbraw/zinc/39/17/32/176391732.db2.gz JYGODWSJXVIEIM-KHVQUVQLSA-N 1 2 205.261 1.195 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1c1cccc[nH+]1 ZINC000133362856 177002257 /nfs/dbraw/zinc/00/22/57/177002257.db2.gz TYQUEOHYSCIWSJ-WDEREUQCSA-N 1 2 206.289 1.821 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cncs1 ZINC000290625150 177002307 /nfs/dbraw/zinc/00/23/07/177002307.db2.gz XNXQFCIXIGKDQZ-UWVGGRQHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cncs1 ZINC000290625150 177002308 /nfs/dbraw/zinc/00/23/08/177002308.db2.gz XNXQFCIXIGKDQZ-UWVGGRQHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H](O)[C@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000168353653 177016269 /nfs/dbraw/zinc/01/62/69/177016269.db2.gz HYXFHTUHCMNPRV-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000168353653 177016271 /nfs/dbraw/zinc/01/62/71/177016271.db2.gz HYXFHTUHCMNPRV-IUCAKERBSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H](O)[C@H](C)Sc1[nH+]cnc2[nH]ccc21 ZINC000266228948 177029741 /nfs/dbraw/zinc/02/97/41/177029741.db2.gz SQTBTMZZJKKSHE-RQJHMYQMSA-N 1 2 223.301 1.819 20 0 BDADLO C[C@H](c1ccccc1)[NH+]1CCS(=O)CC1 ZINC000112600057 177040550 /nfs/dbraw/zinc/04/05/50/177040550.db2.gz VSZUQKISZHRFRQ-LLVKDONJSA-N 1 2 223.341 1.812 20 0 BDADLO C[C@H](c1ccco1)[N@H+](CC(N)=O)C1CC1 ZINC000086233787 177048034 /nfs/dbraw/zinc/04/80/34/177048034.db2.gz LVCDHBCGEMFBDL-MRVPVSSYSA-N 1 2 208.261 1.290 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](CC(N)=O)C1CC1 ZINC000086233787 177048035 /nfs/dbraw/zinc/04/80/35/177048035.db2.gz LVCDHBCGEMFBDL-MRVPVSSYSA-N 1 2 208.261 1.290 20 0 BDADLO C[C@H](c1noc(Cn2cc[nH+]c2)n1)C1CC1 ZINC000277932430 177056489 /nfs/dbraw/zinc/05/64/89/177056489.db2.gz NMRLEVIBKYNOGC-QMMMGPOBSA-N 1 2 218.260 1.828 20 0 BDADLO C[C@H]1CCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335102571 177070398 /nfs/dbraw/zinc/07/03/98/177070398.db2.gz XCJRWDNOLNPZRL-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC000276671849 177072406 /nfs/dbraw/zinc/07/24/06/177072406.db2.gz NVBFJXRMSBCIOB-NSHDSACASA-N 1 2 235.331 1.754 20 0 BDADLO C[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276736356 177072601 /nfs/dbraw/zinc/07/26/01/177072601.db2.gz UMEDMEXBBRAQOX-PORFMDCZSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000014193735 177096525 /nfs/dbraw/zinc/09/65/25/177096525.db2.gz XEJQUAYGWPNUJU-QMMMGPOBSA-N 1 2 240.332 1.209 20 0 BDADLO C[C@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000014193735 177096527 /nfs/dbraw/zinc/09/65/27/177096527.db2.gz XEJQUAYGWPNUJU-QMMMGPOBSA-N 1 2 240.332 1.209 20 0 BDADLO C[C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000299633892 177121274 /nfs/dbraw/zinc/12/12/74/177121274.db2.gz KUWRIUDPODOYMK-NWDGAFQWSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCc1[nH+]ccn1C ZINC000274444170 177123824 /nfs/dbraw/zinc/12/38/24/177123824.db2.gz LUVDWIWYYPBLCD-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000185886498 177124038 /nfs/dbraw/zinc/12/40/38/177124038.db2.gz KELIOBHSXLSJFP-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCc1[nH+]ccn1C ZINC000274444168 177139605 /nfs/dbraw/zinc/13/96/05/177139605.db2.gz LUVDWIWYYPBLCD-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1O ZINC000299891202 177159077 /nfs/dbraw/zinc/15/90/77/177159077.db2.gz JXBPNFNUTWZUHD-VHSXEESVSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1O ZINC000299891202 177159079 /nfs/dbraw/zinc/15/90/79/177159079.db2.gz JXBPNFNUTWZUHD-VHSXEESVSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C)n2)[C@@H](C(N)=O)C1 ZINC000336415955 177167142 /nfs/dbraw/zinc/16/71/42/177167142.db2.gz UUYAKHGZVQKXAD-GXSJLCMTSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C)n2)[C@@H](C(N)=O)C1 ZINC000336415955 177167143 /nfs/dbraw/zinc/16/71/43/177167143.db2.gz UUYAKHGZVQKXAD-GXSJLCMTSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)[C@H]1CO ZINC000276089255 177172023 /nfs/dbraw/zinc/17/20/23/177172023.db2.gz VUKZLHNMOFSEFM-HZMBPMFUSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000282196059 177173698 /nfs/dbraw/zinc/17/36/98/177173698.db2.gz CFZLXVZHSFHDCM-QPUJVOFHSA-N 1 2 249.314 1.166 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000120906688 177188055 /nfs/dbraw/zinc/18/80/55/177188055.db2.gz LTTDCOHRMSARJV-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000293868668 177211171 /nfs/dbraw/zinc/21/11/71/177211171.db2.gz ARMKTJGPMBBLCG-FBFNWGNUSA-N 1 2 205.261 1.290 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N(C)c1nccs1 ZINC000293382609 177243910 /nfs/dbraw/zinc/24/39/10/177243910.db2.gz JZWKLSCXEKTWDJ-DTWKUNHWSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000293382609 177243908 /nfs/dbraw/zinc/24/39/08/177243908.db2.gz JZWKLSCXEKTWDJ-DTWKUNHWSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@H]1C[N@H+](CCCOc2ccccc2)CC(=O)N1 ZINC000296317743 177249147 /nfs/dbraw/zinc/24/91/47/177249147.db2.gz TWPSOKJCANBTOM-LBPRGKRZSA-N 1 2 248.326 1.276 20 0 BDADLO C[C@H]1C[N@@H+](CCCOc2ccccc2)CC(=O)N1 ZINC000296317743 177249149 /nfs/dbraw/zinc/24/91/49/177249149.db2.gz TWPSOKJCANBTOM-LBPRGKRZSA-N 1 2 248.326 1.276 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccccn2)CC[S@]1=O ZINC000336006508 177254064 /nfs/dbraw/zinc/25/40/64/177254064.db2.gz IUGXZNVULVJTPI-MEDUHNTESA-N 1 2 238.356 1.077 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccccn2)CC[S@]1=O ZINC000336006508 177254066 /nfs/dbraw/zinc/25/40/66/177254066.db2.gz IUGXZNVULVJTPI-MEDUHNTESA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000339126055 177258011 /nfs/dbraw/zinc/25/80/11/177258011.db2.gz DYMOQEFELNMEQS-DDIVZENXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000339126055 177258013 /nfs/dbraw/zinc/25/80/13/177258013.db2.gz DYMOQEFELNMEQS-DDIVZENXSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@H](C)O1 ZINC000050792369 177263695 /nfs/dbraw/zinc/26/36/95/177263695.db2.gz MWOYWTFGXQZBJT-AOOOYVTPSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H](C)O1 ZINC000050792369 177263696 /nfs/dbraw/zinc/26/36/96/177263696.db2.gz MWOYWTFGXQZBJT-AOOOYVTPSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccsc2)CC[S@@](=O)C1 ZINC000277333635 177267327 /nfs/dbraw/zinc/26/73/27/177267327.db2.gz CTQYJMRLEAWCSN-ZUZCIYMTSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccsc2)CC[S@@](=O)C1 ZINC000277333635 177267329 /nfs/dbraw/zinc/26/73/29/177267329.db2.gz CTQYJMRLEAWCSN-ZUZCIYMTSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[NH+](Cc2cccnc2N)C[C@H](C)O1 ZINC000052709830 177268263 /nfs/dbraw/zinc/26/82/63/177268263.db2.gz USVZWGUKUQQLFL-UWVGGRQHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncn2C)CC(C)(C)O1 ZINC000177268138 177268977 /nfs/dbraw/zinc/26/89/77/177268977.db2.gz OUUVKSVPOMUBPS-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncn2C)CC(C)(C)O1 ZINC000177268138 177268978 /nfs/dbraw/zinc/26/89/78/177268978.db2.gz OUUVKSVPOMUBPS-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]cn2C)CC(C)(C)O1 ZINC000177268138 177268979 /nfs/dbraw/zinc/26/89/79/177268979.db2.gz OUUVKSVPOMUBPS-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1C[NH+](Cc2cncs2)C[C@H](C)O1 ZINC000126987738 177269580 /nfs/dbraw/zinc/26/95/80/177269580.db2.gz QCWHIGIXUOCCJB-IUCAKERBSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc3cnccn23)[C@@H](C)CO1 ZINC000271083406 177269791 /nfs/dbraw/zinc/26/97/91/177269791.db2.gz XTEHZKOXFVUOQL-QWRGUYRKSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc3cnccn23)[C@@H](C)CO1 ZINC000271083406 177269792 /nfs/dbraw/zinc/26/97/92/177269792.db2.gz XTEHZKOXFVUOQL-QWRGUYRKSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(Cl)n2C)[C@H]1C ZINC000293196645 177270933 /nfs/dbraw/zinc/27/09/33/177270933.db2.gz XLLWFXCDLGFGJJ-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)n2C)[C@H]1C ZINC000293196645 177270935 /nfs/dbraw/zinc/27/09/35/177270935.db2.gz XLLWFXCDLGFGJJ-YUMQZZPRSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184739740 177276202 /nfs/dbraw/zinc/27/62/02/177276202.db2.gz HLXIMHSYNYUOHC-OUAUKWLOSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184739740 177276204 /nfs/dbraw/zinc/27/62/04/177276204.db2.gz HLXIMHSYNYUOHC-OUAUKWLOSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000374367005 177289125 /nfs/dbraw/zinc/28/91/25/177289125.db2.gz PJNRTVYXZYIHFX-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000374367005 177289126 /nfs/dbraw/zinc/28/91/26/177289126.db2.gz PJNRTVYXZYIHFX-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1N ZINC000035773404 177292767 /nfs/dbraw/zinc/29/27/67/177292767.db2.gz PQERDMXYZSKGPH-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc(F)ccc1N ZINC000035773404 177292768 /nfs/dbraw/zinc/29/27/68/177292768.db2.gz PQERDMXYZSKGPH-VIFPVBQESA-N 1 2 224.279 1.629 20 0 BDADLO C[C@H]1COC[C@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276529128 177299264 /nfs/dbraw/zinc/29/92/64/177299264.db2.gz DNZSFTOPIHNQRI-OHINUGQQSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000290934419 177322395 /nfs/dbraw/zinc/32/23/95/177322395.db2.gz NDOQHXUFCCIAJT-HOSYDEDBSA-N 1 2 249.314 1.039 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C1CC1 ZINC000333170617 177329778 /nfs/dbraw/zinc/32/97/78/177329778.db2.gz JJCAEWZMGZUIEI-IQJOONFLSA-N 1 2 248.330 1.987 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cscn1 ZINC000292373061 177335950 /nfs/dbraw/zinc/33/59/50/177335950.db2.gz IZUNRPGYMDNBQX-WPRPVWTQSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cscn1 ZINC000292373061 177335952 /nfs/dbraw/zinc/33/59/52/177335952.db2.gz IZUNRPGYMDNBQX-WPRPVWTQSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377449981 177377114 /nfs/dbraw/zinc/37/71/14/177377114.db2.gz YIRYZJVXEGTCFW-DTWKUNHWSA-N 1 2 243.270 1.257 20 0 BDADLO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ncn(C)n1 ZINC000090969273 177391820 /nfs/dbraw/zinc/39/18/20/177391820.db2.gz QKQOPYBBMYOIBV-IINYFYTJSA-N 1 2 242.326 1.838 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccnc2)[C@@H]1C ZINC000156066392 177399437 /nfs/dbraw/zinc/39/94/37/177399437.db2.gz XHJHYDIBGUNTAO-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccnc2)[C@@H]1C ZINC000156066392 177399439 /nfs/dbraw/zinc/39/94/39/177399439.db2.gz XHJHYDIBGUNTAO-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnc3cnccn23)[C@@H]1C ZINC000093417865 177399898 /nfs/dbraw/zinc/39/98/98/177399898.db2.gz MMFTVOHPQCEOOQ-GHMZBOCLSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnc3cnccn23)[C@@H]1C ZINC000093417865 177399900 /nfs/dbraw/zinc/39/99/00/177399900.db2.gz MMFTVOHPQCEOOQ-GHMZBOCLSA-N 1 2 246.314 1.339 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000267529319 177529445 /nfs/dbraw/zinc/52/94/45/177529445.db2.gz UYNOKIOHJGITAK-IAZYJMLFSA-N 1 2 233.315 1.771 20 0 BDADLO Cc1cscc1C[NH2+]Cc1ncnn1C ZINC000087310805 487640129 /nfs/dbraw/zinc/64/01/29/487640129.db2.gz GMCJJHGIPFFPIF-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@]2(CCOC2)C1 ZINC000678787442 487642751 /nfs/dbraw/zinc/64/27/51/487642751.db2.gz ONTWCEIQZZJFDA-LBPRGKRZSA-N 1 2 222.263 1.838 20 0 BDADLO c1c[nH]c(-c2noc(CCCn3cc[nH+]c3)n2)n1 ZINC000680755549 487642968 /nfs/dbraw/zinc/64/29/68/487642968.db2.gz RIGMSGRILQROMH-UHFFFAOYSA-N 1 2 244.258 1.289 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000471813726 225085287 /nfs/dbraw/zinc/08/52/87/225085287.db2.gz XEEBVKKOZOZMLE-CBAPKCEASA-N 1 2 231.246 1.233 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000471813726 225085291 /nfs/dbraw/zinc/08/52/91/225085291.db2.gz XEEBVKKOZOZMLE-CBAPKCEASA-N 1 2 231.246 1.233 20 0 BDADLO COC[C@]1(C)CC[N@H+](Cc2csnn2)C1 ZINC000487049740 225283600 /nfs/dbraw/zinc/28/36/00/225283600.db2.gz UPLYUVIUQNFTJN-SNVBAGLBSA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@]1(C)CC[N@@H+](Cc2csnn2)C1 ZINC000487049740 225283605 /nfs/dbraw/zinc/28/36/05/225283605.db2.gz UPLYUVIUQNFTJN-SNVBAGLBSA-N 1 2 227.333 1.397 20 0 BDADLO Cc1cc(N2CCC(O)(C(F)F)CC2)nc[nH+]1 ZINC000490016563 225500769 /nfs/dbraw/zinc/50/07/69/225500769.db2.gz WPZNOIMXOFYPOW-UHFFFAOYSA-N 1 2 243.257 1.381 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000493012515 226103252 /nfs/dbraw/zinc/10/32/52/226103252.db2.gz AMGSTDUZEKPMIJ-SDLBARTOSA-N 1 2 229.230 1.583 20 0 BDADLO C[C@@H]1C[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492776328 226052343 /nfs/dbraw/zinc/05/23/43/226052343.db2.gz ZSOGJDCNZFDSGB-UZAOFVRNSA-N 1 2 249.314 1.354 20 0 BDADLO Cc1ncc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492776543 226052433 /nfs/dbraw/zinc/05/24/33/226052433.db2.gz ZXOWYPURNMLFPT-NSCUHMNNSA-N 1 2 229.243 1.160 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000492806984 226057221 /nfs/dbraw/zinc/05/72/21/226057221.db2.gz AMVWWYSDLGRCKI-BYCRGOAPSA-N 1 2 231.299 1.681 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000492867399 226070984 /nfs/dbraw/zinc/07/09/84/226070984.db2.gz RJFLPTMDZPVPJJ-DJVCXFJCSA-N 1 2 249.314 1.090 20 0 BDADLO CO[C@@H]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492868655 226071638 /nfs/dbraw/zinc/07/16/38/226071638.db2.gz TXIZVFBOXRAFCE-PLWSPRCSSA-N 1 2 249.314 1.354 20 0 BDADLO Cc1ncc(NC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492872252 226071739 /nfs/dbraw/zinc/07/17/39/226071739.db2.gz YPKHZICEEKKLOU-NSCUHMNNSA-N 1 2 234.284 1.827 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCCO1 ZINC000492889671 226074772 /nfs/dbraw/zinc/07/47/72/226074772.db2.gz BAQKQJHNEKVOJC-DOGVGXBMSA-N 1 2 235.287 1.108 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOCC1CCC1 ZINC000492899014 226078439 /nfs/dbraw/zinc/07/84/39/226078439.db2.gz LTSCAQZTIKNBTQ-PLNGDYQASA-N 1 2 249.314 1.356 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC[C@H]1CCO ZINC000492896314 226078520 /nfs/dbraw/zinc/07/85/20/226078520.db2.gz IXHLIMOHGKYONS-ITKZLYELSA-N 1 2 249.314 1.186 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(=O)[nH]c1 ZINC000492977553 226095846 /nfs/dbraw/zinc/09/58/46/226095846.db2.gz AIKXBMSQENPAIF-DAFODLJHSA-N 1 2 230.227 1.162 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC[C@@H]1O ZINC000493067978 226117209 /nfs/dbraw/zinc/11/72/09/226117209.db2.gz XJUSONXUDMNWCW-TTXFHXEYSA-N 1 2 249.314 1.090 20 0 BDADLO CSCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493070731 226117991 /nfs/dbraw/zinc/11/79/91/226117991.db2.gz MOMNCGCISXTCPB-ONEGZZNKSA-N 1 2 225.317 1.244 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC[C@@H]1CCCCO1 ZINC000493107330 226128306 /nfs/dbraw/zinc/12/83/06/226128306.db2.gz PPTREMYVUCXCSC-RXNFCKPNSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@H](C[C@@H]1CCCO1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493155287 226140708 /nfs/dbraw/zinc/14/07/08/226140708.db2.gz CUJSYQFFXNIITI-SFLCEZBHSA-N 1 2 249.314 1.497 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1F ZINC000493195454 226152270 /nfs/dbraw/zinc/15/22/70/226152270.db2.gz VHVFBXHLEWKUCN-OCIBVNFRSA-N 1 2 223.251 1.430 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493259815 226168858 /nfs/dbraw/zinc/16/88/58/226168858.db2.gz BMMHAEUWCDLXJI-HIHHVFROSA-N 1 2 219.288 1.680 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000493263904 226169851 /nfs/dbraw/zinc/16/98/51/226169851.db2.gz VRMYXQHLBQBYAJ-ARJADARRSA-N 1 2 217.272 1.338 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@@H](C2CC2)C1 ZINC000493420695 226211370 /nfs/dbraw/zinc/21/13/70/226211370.db2.gz OBIUBLBHCMSGAJ-VSQXVHSFSA-N 1 2 247.298 1.060 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=Cc1ccn(C)c1 ZINC000493492889 226231479 /nfs/dbraw/zinc/23/14/79/226231479.db2.gz ZCIVKLARBXGCDQ-ONEGZZNKSA-N 1 2 241.294 1.802 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1cc(C(N)=O)co1 ZINC000494446782 226265125 /nfs/dbraw/zinc/26/51/25/226265125.db2.gz WQHPISZMNJXCPE-UHFFFAOYSA-N 1 2 234.255 1.570 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)OCC1CC1 ZINC000495908103 226291946 /nfs/dbraw/zinc/29/19/46/226291946.db2.gz YYXCKCGMAWZTHL-UHFFFAOYSA-N 1 2 237.303 1.800 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000678046457 487652605 /nfs/dbraw/zinc/65/26/05/487652605.db2.gz XEAOZEGHTPUNDG-GHMZBOCLSA-N 1 2 225.288 1.281 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000678046457 487652608 /nfs/dbraw/zinc/65/26/08/487652608.db2.gz XEAOZEGHTPUNDG-GHMZBOCLSA-N 1 2 225.288 1.281 20 0 BDADLO CCC[C@@H](CNc1cc(CO)cc[nH+]1)OC ZINC000393458392 487661100 /nfs/dbraw/zinc/66/11/00/487661100.db2.gz IQGVRQVBQXZJJX-NSHDSACASA-N 1 2 224.304 1.801 20 0 BDADLO Cc1ccc(NCCn2cc[nH+]c2)nn1 ZINC000041050996 487661937 /nfs/dbraw/zinc/66/19/37/487661937.db2.gz DRHFWUNHUDVHIQ-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@]23C[C@H]2CCC3)c1 ZINC000665109277 487667854 /nfs/dbraw/zinc/66/78/54/487667854.db2.gz HDUBLPOKKVFERL-ZWNOBZJWSA-N 1 2 248.330 1.204 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000403471900 229319457 /nfs/dbraw/zinc/31/94/57/229319457.db2.gz OYVIOERMQXVRJD-OPRDCNLKSA-N 1 2 231.299 1.869 20 0 BDADLO CC(C)N(CC(F)F)C(=O)Cc1c[nH+]cn1C ZINC000557737683 322941643 /nfs/dbraw/zinc/94/16/43/322941643.db2.gz DDWZMFDGWJHNOG-UHFFFAOYSA-N 1 2 245.273 1.465 20 0 BDADLO CCc1cc(C)nc(NCCn2cc[nH+]c2)n1 ZINC000680950884 487676559 /nfs/dbraw/zinc/67/65/59/487676559.db2.gz QWXUAALDACFYIU-UHFFFAOYSA-N 1 2 231.303 1.656 20 0 BDADLO COc1cc(C)nc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000675219830 487681236 /nfs/dbraw/zinc/68/12/36/487681236.db2.gz PAMXYQTYIKSLBQ-UHFFFAOYSA-N 1 2 245.286 1.051 20 0 BDADLO O[C@H](CNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000528134319 262905795 /nfs/dbraw/zinc/90/57/95/262905795.db2.gz ZJZLMTCEMNJYKM-ZJUUUORDSA-N 1 2 208.261 1.033 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCO ZINC000671708941 487702479 /nfs/dbraw/zinc/70/24/79/487702479.db2.gz JYYLWNJBUBAZRN-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCO ZINC000671708941 487702484 /nfs/dbraw/zinc/70/24/84/487702484.db2.gz JYYLWNJBUBAZRN-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(O)c(F)c1 ZINC000681046378 487705801 /nfs/dbraw/zinc/70/58/01/487705801.db2.gz JTEXRUSZIXLHIB-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C12CCC2 ZINC000398360182 487718743 /nfs/dbraw/zinc/71/87/43/487718743.db2.gz JBIUFZSBWWNINC-GHMZBOCLSA-N 1 2 236.319 1.242 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C12CCC2 ZINC000398360182 487718749 /nfs/dbraw/zinc/71/87/49/487718749.db2.gz JBIUFZSBWWNINC-GHMZBOCLSA-N 1 2 236.319 1.242 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnc2n1CCC2 ZINC000668419890 487722366 /nfs/dbraw/zinc/72/23/66/487722366.db2.gz PIZAMYPPAPBTKB-UHFFFAOYSA-N 1 2 242.282 1.207 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668420063 487722451 /nfs/dbraw/zinc/72/24/51/487722451.db2.gz UGHKOQVQLNYUCR-URLYPYJESA-N 1 2 216.284 1.797 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H](C2CCC2)C1 ZINC000665678810 487723072 /nfs/dbraw/zinc/72/30/72/487723072.db2.gz BDVIXLAQUQJDKU-CYBMUJFWSA-N 1 2 247.342 1.922 20 0 BDADLO CC[C@]1(C)CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665706176 487736361 /nfs/dbraw/zinc/73/63/61/487736361.db2.gz CKLNYKYPRUPZHN-CYBMUJFWSA-N 1 2 248.330 1.907 20 0 BDADLO CC[C@]1(C)CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665706176 487736366 /nfs/dbraw/zinc/73/63/66/487736366.db2.gz CKLNYKYPRUPZHN-CYBMUJFWSA-N 1 2 248.330 1.907 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccc(C)n1 ZINC000088591374 487736637 /nfs/dbraw/zinc/73/66/37/487736637.db2.gz NQYYZHOOMALRAE-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCOC[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665712667 487737264 /nfs/dbraw/zinc/73/72/64/487737264.db2.gz SSUARXPTWUAHCX-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO CCOC[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665712667 487737266 /nfs/dbraw/zinc/73/72/66/487737266.db2.gz SSUARXPTWUAHCX-QMMMGPOBSA-N 1 2 238.291 1.118 20 0 BDADLO c1nc2c(c(NC[C@@H]3C[C@H]3C3CC3)[nH+]1)OCCN2 ZINC000665722573 487740448 /nfs/dbraw/zinc/74/04/48/487740448.db2.gz FBKSOUYFPJZCHA-UWVGGRQHSA-N 1 2 246.314 1.739 20 0 BDADLO c1nc(NC[C@@H]2C[C@H]2C2CC2)c2c([nH+]1)NCCO2 ZINC000665722573 487740451 /nfs/dbraw/zinc/74/04/51/487740451.db2.gz FBKSOUYFPJZCHA-UWVGGRQHSA-N 1 2 246.314 1.739 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC1(C2CC2)CC1 ZINC000675495456 487741444 /nfs/dbraw/zinc/74/14/44/487741444.db2.gz POOQZQQXIQLGJK-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO O[C@]1(CCNc2cccc[nH+]2)CCCOC1 ZINC000651467514 487748909 /nfs/dbraw/zinc/74/89/09/487748909.db2.gz NHTTWKOPEKOFKO-LBPRGKRZSA-N 1 2 222.288 1.425 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)CCCO)n1cc[nH+]c1 ZINC000651479401 487751975 /nfs/dbraw/zinc/75/19/75/487751975.db2.gz YVOQUZLCEBXKNE-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c(C(=O)[O-])c1 ZINC000036896404 487754223 /nfs/dbraw/zinc/75/42/23/487754223.db2.gz BRHJZWVOYATABH-LLVKDONJSA-N 1 2 249.314 1.676 20 0 BDADLO CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c(C(=O)[O-])c1 ZINC000036896404 487754234 /nfs/dbraw/zinc/75/42/34/487754234.db2.gz BRHJZWVOYATABH-LLVKDONJSA-N 1 2 249.314 1.676 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+](CC2CC2)CCO1 ZINC000675640032 487758065 /nfs/dbraw/zinc/75/80/65/487758065.db2.gz MMPVKSFDAWPKLU-MRVPVSSYSA-N 1 2 209.211 1.660 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC000675640032 487758070 /nfs/dbraw/zinc/75/80/70/487758070.db2.gz MMPVKSFDAWPKLU-MRVPVSSYSA-N 1 2 209.211 1.660 20 0 BDADLO CCn1nccc1C(=O)Nc1cc[nH+]cc1C ZINC000681272135 487765711 /nfs/dbraw/zinc/76/57/11/487765711.db2.gz CTFZUONANKKIPL-UHFFFAOYSA-N 1 2 230.271 1.281 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC(F)(F)C1 ZINC000675690529 487766261 /nfs/dbraw/zinc/76/62/61/487766261.db2.gz WUDDVXLBACTJAE-QMMMGPOBSA-N 1 2 229.230 1.187 20 0 BDADLO CCOC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000668448791 487770466 /nfs/dbraw/zinc/77/04/66/487770466.db2.gz VXTWHYAMJPCLIP-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC12CCC2 ZINC000681343166 487780967 /nfs/dbraw/zinc/78/09/67/487780967.db2.gz KUYRJEGIKFSNOV-NSHDSACASA-N 1 2 233.315 1.269 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)CCC1CC1 ZINC000681363282 487784700 /nfs/dbraw/zinc/78/47/00/487784700.db2.gz QJEAGILLMHWLBQ-UHFFFAOYSA-N 1 2 233.315 1.698 20 0 BDADLO Cc1ccc(NC(=O)NC/C=C/CO)c(C)[nH+]1 ZINC000666314309 487784357 /nfs/dbraw/zinc/78/43/57/487784357.db2.gz GHAVRJVLCVOUDG-ONEGZZNKSA-N 1 2 235.287 1.368 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH+]c[nH]2)n[nH]1 ZINC000672780063 487784412 /nfs/dbraw/zinc/78/44/12/487784412.db2.gz LZPWIMGLCSFTRN-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH]c[nH+]2)n[nH]1 ZINC000672780063 487784419 /nfs/dbraw/zinc/78/44/19/487784419.db2.gz LZPWIMGLCSFTRN-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679221670 487784481 /nfs/dbraw/zinc/78/44/81/487784481.db2.gz LSTHPEOLTVGOTQ-NXEZZACHSA-N 1 2 216.300 1.145 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679221670 487784485 /nfs/dbraw/zinc/78/44/85/487784485.db2.gz LSTHPEOLTVGOTQ-NXEZZACHSA-N 1 2 216.300 1.145 20 0 BDADLO C[C@H]1C[N@H+](CCCF)C[C@@H](C(F)(F)F)O1 ZINC000675892282 487787641 /nfs/dbraw/zinc/78/76/41/487787641.db2.gz OIODNLXUDIWLLB-YUMQZZPRSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1C[N@@H+](CCCF)C[C@@H](C(F)(F)F)O1 ZINC000675892282 487787645 /nfs/dbraw/zinc/78/76/45/487787645.db2.gz OIODNLXUDIWLLB-YUMQZZPRSA-N 1 2 229.217 1.998 20 0 BDADLO COC[C@@H]1CCC[N@H+](CC(F)F)CC1 ZINC000650337597 487790072 /nfs/dbraw/zinc/79/00/72/487790072.db2.gz SQMMBNQDERJFGJ-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO COC[C@@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000650337597 487790080 /nfs/dbraw/zinc/79/00/80/487790080.db2.gz SQMMBNQDERJFGJ-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCCn1cc[nH+]c1 ZINC000666352947 487791920 /nfs/dbraw/zinc/79/19/20/487791920.db2.gz JLKGKJKGEOBBRK-NSHDSACASA-N 1 2 247.298 1.471 20 0 BDADLO Cc1ccoc1CC(=O)NCCn1cc[nH+]c1 ZINC000666351834 487791951 /nfs/dbraw/zinc/79/19/51/487791951.db2.gz KETPTQNOCSBEKX-UHFFFAOYSA-N 1 2 233.271 1.143 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)c(C)n1 ZINC000681407928 487795575 /nfs/dbraw/zinc/79/55/75/487795575.db2.gz XSMJHOVUQOQHMT-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3cn[nH]c3C2)c(C)n1 ZINC000681407928 487795579 /nfs/dbraw/zinc/79/55/79/487795579.db2.gz XSMJHOVUQOQHMT-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO COCCC1C[NH+](Cc2nccs2)C1 ZINC000668472422 487797148 /nfs/dbraw/zinc/79/71/48/487797148.db2.gz KJFWWADAPOSBOW-UHFFFAOYSA-N 1 2 212.318 1.611 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@H+](C)CC1=CCCC1 ZINC000592085122 487805556 /nfs/dbraw/zinc/80/55/56/487805556.db2.gz ZZFFSYJWLMNYAB-GFCCVEGCSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CC1=CCCC1 ZINC000592085122 487805562 /nfs/dbraw/zinc/80/55/62/487805562.db2.gz ZZFFSYJWLMNYAB-GFCCVEGCSA-N 1 2 241.331 1.607 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([N@@H+](C)CC(F)F)C1 ZINC001172624004 974897722 /nfs/dbraw/zinc/89/77/22/974897722.db2.gz UEUIOXHFNPTBSS-IUCAKERBSA-N 1 2 235.274 1.915 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)n1 ZINC000679680560 487817283 /nfs/dbraw/zinc/81/72/83/487817283.db2.gz JKBQKWIKFGQWFI-JTQLQIEISA-N 1 2 245.273 1.624 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)n1 ZINC000679680560 487817287 /nfs/dbraw/zinc/81/72/87/487817287.db2.gz JKBQKWIKFGQWFI-JTQLQIEISA-N 1 2 245.273 1.624 20 0 BDADLO COCCC1CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000666492583 487821057 /nfs/dbraw/zinc/82/10/57/487821057.db2.gz HJHPFQQUCJAHDD-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO c1ncn([C@@H]2CC[N@@H+](Cc3cscn3)C2)n1 ZINC000681603400 487821717 /nfs/dbraw/zinc/82/17/17/487821717.db2.gz CXTOWKWHHOAZRD-SNVBAGLBSA-N 1 2 235.316 1.182 20 0 BDADLO c1ncn([C@@H]2CC[N@H+](Cc3cscn3)C2)n1 ZINC000681603400 487821724 /nfs/dbraw/zinc/82/17/24/487821724.db2.gz CXTOWKWHHOAZRD-SNVBAGLBSA-N 1 2 235.316 1.182 20 0 BDADLO Cc1cc(NC(=O)C(F)F)c(C)c[nH+]1 ZINC000787458561 585909771 /nfs/dbraw/zinc/90/97/71/585909771.db2.gz PAMYNHIHFXVZAD-UHFFFAOYSA-N 1 2 200.188 1.324 20 0 BDADLO CC(C)=CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493811280 527429646 /nfs/dbraw/zinc/42/96/46/527429646.db2.gz BBVZCFNEKUCKPV-ONEGZZNKSA-N 1 2 205.261 1.505 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000846090638 588256127 /nfs/dbraw/zinc/25/61/27/588256127.db2.gz CHADIDRBMMXUJV-SECBINFHSA-N 1 2 216.325 1.326 20 0 BDADLO Cn1c(Cl)ncc1C[NH2+]C(CF)CF ZINC000848552744 588396283 /nfs/dbraw/zinc/39/62/83/588396283.db2.gz DRVKQCLGHRJWQX-UHFFFAOYSA-N 1 2 223.654 1.471 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](C/C(Cl)=C/Cl)CC2 ZINC000852538392 588689217 /nfs/dbraw/zinc/68/92/17/588689217.db2.gz FMZXCJJJCWTVFF-ZFOYQSGISA-N 1 2 222.115 1.762 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC000852538392 588689218 /nfs/dbraw/zinc/68/92/18/588689218.db2.gz FMZXCJJJCWTVFF-ZFOYQSGISA-N 1 2 222.115 1.762 20 0 BDADLO Cc1cc(C)cc(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000668996091 487844735 /nfs/dbraw/zinc/84/47/35/487844735.db2.gz UUNFDPNELPYFFJ-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1cc(C)cc(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000668996091 487844739 /nfs/dbraw/zinc/84/47/39/487844739.db2.gz UUNFDPNELPYFFJ-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cn1c[nH+]c(CN2CCC=C(Cl)C2)c1 ZINC000878792268 590623482 /nfs/dbraw/zinc/62/34/82/590623482.db2.gz YPUINLLPPHYNRN-UHFFFAOYSA-N 1 2 211.696 1.749 20 0 BDADLO OCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000645943591 487854137 /nfs/dbraw/zinc/85/41/37/487854137.db2.gz ZMNRTSIAYGEGPG-UHFFFAOYSA-N 1 2 242.269 1.079 20 0 BDADLO C[C@H](NC(=O)Nc1ccnn1C)c1[nH+]ccn1C ZINC000666676407 487854164 /nfs/dbraw/zinc/85/41/64/487854164.db2.gz USBHUXSTVNYQQH-QMMMGPOBSA-N 1 2 248.290 1.036 20 0 BDADLO COc1ccc(NCc2c[nH+]cn2C)c(OC)n1 ZINC000676495949 487858102 /nfs/dbraw/zinc/85/81/02/487858102.db2.gz YPAWUVRDBXCVHH-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO CCN1C[C@H](C(=O)Nc2cc[nH+]c(C)c2)CC1=O ZINC000078559585 487858698 /nfs/dbraw/zinc/85/86/98/487858698.db2.gz BCLWBDPYXNDDRS-SNVBAGLBSA-N 1 2 247.298 1.197 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000674470927 487862939 /nfs/dbraw/zinc/86/29/39/487862939.db2.gz YJACZRGDNMHKIU-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000674470927 487862943 /nfs/dbraw/zinc/86/29/43/487862943.db2.gz YJACZRGDNMHKIU-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO FC1(CNc2ccc(-n3cncn3)c[nH+]2)CC1 ZINC000684405759 487864421 /nfs/dbraw/zinc/86/44/21/487864421.db2.gz ZKOFQMFPNJLXLF-UHFFFAOYSA-N 1 2 233.250 1.576 20 0 BDADLO COCc1csc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000668186386 487869136 /nfs/dbraw/zinc/86/91/36/487869136.db2.gz HVBJBAVALGYPQZ-NEPJUHHUSA-N 1 2 239.340 1.868 20 0 BDADLO COCc1csc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000668186386 487869145 /nfs/dbraw/zinc/86/91/45/487869145.db2.gz HVBJBAVALGYPQZ-NEPJUHHUSA-N 1 2 239.340 1.868 20 0 BDADLO CC(=O)N(C[C@@H]1CCC[N@@H+]1CC(F)F)C1CC1 ZINC000681932625 487870061 /nfs/dbraw/zinc/87/00/61/487870061.db2.gz WYAHMRQNLKGGOA-NSHDSACASA-N 1 2 246.301 1.727 20 0 BDADLO CC(=O)N(C[C@@H]1CCC[N@H+]1CC(F)F)C1CC1 ZINC000681932625 487870065 /nfs/dbraw/zinc/87/00/65/487870065.db2.gz WYAHMRQNLKGGOA-NSHDSACASA-N 1 2 246.301 1.727 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666751934 487871848 /nfs/dbraw/zinc/87/18/48/487871848.db2.gz NAMMUXYGXSRHMA-JTQLQIEISA-N 1 2 233.315 1.383 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666751934 487871856 /nfs/dbraw/zinc/87/18/56/487871856.db2.gz NAMMUXYGXSRHMA-JTQLQIEISA-N 1 2 233.315 1.383 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000682032355 487884811 /nfs/dbraw/zinc/88/48/11/487884811.db2.gz BYTXLNLYLAHBGS-MNOVXSKESA-N 1 2 249.301 1.648 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CC[C@@H]1CCCCO1 ZINC000682032355 487884814 /nfs/dbraw/zinc/88/48/14/487884814.db2.gz BYTXLNLYLAHBGS-MNOVXSKESA-N 1 2 249.301 1.648 20 0 BDADLO CC[C@@H](NC(=O)c1cocn1)c1[nH]cc[nH+]1 ZINC000682041469 487888502 /nfs/dbraw/zinc/88/85/02/487888502.db2.gz RGMBWYLMSRZCIQ-SSDOTTSWSA-N 1 2 220.232 1.279 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000670273150 487895839 /nfs/dbraw/zinc/89/58/39/487895839.db2.gz UVSMHBLZNAHOHQ-UHFFFAOYSA-N 1 2 247.342 1.512 20 0 BDADLO CN(C)c1ccc(C[N@H+]2CCOCC23CC3)cn1 ZINC000670273150 487895844 /nfs/dbraw/zinc/89/58/44/487895844.db2.gz UVSMHBLZNAHOHQ-UHFFFAOYSA-N 1 2 247.342 1.512 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000676711864 487898731 /nfs/dbraw/zinc/89/87/31/487898731.db2.gz FFQSXNWTKVVMAH-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000676711864 487898736 /nfs/dbraw/zinc/89/87/36/487898736.db2.gz FFQSXNWTKVVMAH-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO Cc1cc(C)nc(NCc2ccc[nH+]c2N)n1 ZINC000083356848 487906341 /nfs/dbraw/zinc/90/63/41/487906341.db2.gz JTPJCWCYKNDPNB-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC1(C)C ZINC000667004932 487927019 /nfs/dbraw/zinc/92/70/19/487927019.db2.gz ATUOBVJNAXIFCS-FXPVBKGRSA-N 1 2 233.315 1.438 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC000676795074 487931072 /nfs/dbraw/zinc/93/10/72/487931072.db2.gz WVHWHPGXUAHURJ-LLVKDONJSA-N 1 2 221.304 1.337 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CCCCO1)C2 ZINC000676795074 487931078 /nfs/dbraw/zinc/93/10/78/487931078.db2.gz WVHWHPGXUAHURJ-LLVKDONJSA-N 1 2 221.304 1.337 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC000676795074 487931088 /nfs/dbraw/zinc/93/10/88/487931088.db2.gz WVHWHPGXUAHURJ-LLVKDONJSA-N 1 2 221.304 1.337 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@H]1CCCCO1)C2 ZINC000676795074 487931095 /nfs/dbraw/zinc/93/10/95/487931095.db2.gz WVHWHPGXUAHURJ-LLVKDONJSA-N 1 2 221.304 1.337 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H](O)C2CC2)s1 ZINC000669930798 487932179 /nfs/dbraw/zinc/93/21/79/487932179.db2.gz KVFJJQZLENFUDO-GMSGAONNSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H](O)C2CC2)s1 ZINC000669930798 487932183 /nfs/dbraw/zinc/93/21/83/487932183.db2.gz KVFJJQZLENFUDO-GMSGAONNSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1ncsc1CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676797029 487932224 /nfs/dbraw/zinc/93/22/24/487932224.db2.gz NVHAZYIVODECSP-UHFFFAOYSA-N 1 2 248.355 1.775 20 0 BDADLO Cc1ncsc1CC[N@H+]1CCc2cn[nH]c2C1 ZINC000676797029 487932228 /nfs/dbraw/zinc/93/22/28/487932228.db2.gz NVHAZYIVODECSP-UHFFFAOYSA-N 1 2 248.355 1.775 20 0 BDADLO CC[C@@H](NC(=O)CC(C)(C)O)c1[nH]cc[nH+]1 ZINC000331015113 487936168 /nfs/dbraw/zinc/93/61/68/487936168.db2.gz OYQBHPXSZOTIDZ-MRVPVSSYSA-N 1 2 225.292 1.138 20 0 BDADLO C[C@H]1C[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@@H+]1C ZINC000158189872 487942574 /nfs/dbraw/zinc/94/25/74/487942574.db2.gz FOFWJNWMBNODLE-GXSJLCMTSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H]1C[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC[N@H+]1C ZINC000158189872 487942585 /nfs/dbraw/zinc/94/25/85/487942585.db2.gz FOFWJNWMBNODLE-GXSJLCMTSA-N 1 2 249.314 1.674 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(O)cc1 ZINC000682404697 487947586 /nfs/dbraw/zinc/94/75/86/487947586.db2.gz IJPXIBLGDMXNGI-LBPRGKRZSA-N 1 2 234.299 1.103 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(O)cc1 ZINC000682404697 487947589 /nfs/dbraw/zinc/94/75/89/487947589.db2.gz IJPXIBLGDMXNGI-LBPRGKRZSA-N 1 2 234.299 1.103 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000684654583 487954258 /nfs/dbraw/zinc/95/42/58/487954258.db2.gz IDNWDQKBYWTDGH-WCQYABFASA-N 1 2 248.326 1.580 20 0 BDADLO C[C@H]1COCC[C@@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000569403257 322965282 /nfs/dbraw/zinc/96/52/82/322965282.db2.gz IVUYKKJGALEGAR-UWVGGRQHSA-N 1 2 248.286 1.454 20 0 BDADLO CO[C@H](C)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000560328670 322985725 /nfs/dbraw/zinc/98/57/25/322985725.db2.gz KSZZFPQXZSBLAI-SECBINFHSA-N 1 2 246.314 1.301 20 0 BDADLO Cc1cnc(C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000562362572 323017734 /nfs/dbraw/zinc/01/77/34/323017734.db2.gz FSPPSVSMWFJIRQ-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1cocn1 ZINC000562379075 323018628 /nfs/dbraw/zinc/01/86/28/323018628.db2.gz AWMXVPURLGSSFY-ZDUSSCGKSA-N 1 2 232.283 1.806 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2c[nH]c[nH+]2)[C@H]1SC ZINC000562687718 323027560 /nfs/dbraw/zinc/02/75/60/323027560.db2.gz SDQKMTPDNMCRKS-NQMVMOMDSA-N 1 2 227.333 1.731 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC[C@H]1CCOC1 ZINC000401307054 323031690 /nfs/dbraw/zinc/03/16/90/323031690.db2.gz HJXVGGXBJDMULR-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000569688557 323037021 /nfs/dbraw/zinc/03/70/21/323037021.db2.gz WHZSRPZLNHQPDM-SCZZXKLOSA-N 1 2 233.315 1.744 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000569688557 323037022 /nfs/dbraw/zinc/03/70/22/323037022.db2.gz WHZSRPZLNHQPDM-SCZZXKLOSA-N 1 2 233.315 1.744 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]1C1CC1 ZINC000569737934 323039356 /nfs/dbraw/zinc/03/93/56/323039356.db2.gz PWAFELKNNINKJP-WDEREUQCSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CC1 ZINC000569737934 323039357 /nfs/dbraw/zinc/03/93/57/323039357.db2.gz PWAFELKNNINKJP-WDEREUQCSA-N 1 2 219.288 1.257 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000570222194 323053244 /nfs/dbraw/zinc/05/32/44/323053244.db2.gz HZZANNSFJQZYNB-LDYMZIIASA-N 1 2 224.283 1.384 20 0 BDADLO OC[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1O ZINC000317678872 323058287 /nfs/dbraw/zinc/05/82/87/323058287.db2.gz PLJWSZJACFIIJQ-AAEUAGOBSA-N 1 2 244.294 1.024 20 0 BDADLO C[C@H](O)[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000570421435 323059031 /nfs/dbraw/zinc/05/90/31/323059031.db2.gz XEAKNBRRBJIRIJ-CABZTGNLSA-N 1 2 247.298 1.149 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000570423931 323059327 /nfs/dbraw/zinc/05/93/27/323059327.db2.gz KNBBUDNZQRYBBH-MXWKQRLJSA-N 1 2 221.304 1.386 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000570454254 323060131 /nfs/dbraw/zinc/06/01/31/323060131.db2.gz CPDQPPQOBPFXPJ-NXEZZACHSA-N 1 2 239.344 1.600 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000570454254 323060132 /nfs/dbraw/zinc/06/01/32/323060132.db2.gz CPDQPPQOBPFXPJ-NXEZZACHSA-N 1 2 239.344 1.600 20 0 BDADLO C[C@H](CC(=O)Nc1ncccc1O)n1cc[nH+]c1 ZINC000570520337 323062316 /nfs/dbraw/zinc/06/23/16/323062316.db2.gz SPBPWBQBUSQCCL-SECBINFHSA-N 1 2 246.270 1.574 20 0 BDADLO CCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570635471 323065444 /nfs/dbraw/zinc/06/54/44/323065444.db2.gz IHWCIQDWXQYXES-JTQLQIEISA-N 1 2 209.293 1.751 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@H](C)O)C1CCCCC1 ZINC000570683188 323067131 /nfs/dbraw/zinc/06/71/31/323067131.db2.gz JLEHPHVYOGYLJF-CMPLNLGQSA-N 1 2 243.347 1.469 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000570715802 323068431 /nfs/dbraw/zinc/06/84/31/323068431.db2.gz NTYBYHBYABJLJR-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000570715802 323068432 /nfs/dbraw/zinc/06/84/32/323068432.db2.gz NTYBYHBYABJLJR-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCCS1 ZINC000570738418 323068793 /nfs/dbraw/zinc/06/87/93/323068793.db2.gz FCCITRKANJYIOZ-SECBINFHSA-N 1 2 239.344 1.415 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CO[C@H](C)C1)n1cc[nH+]c1 ZINC000570727907 323068804 /nfs/dbraw/zinc/06/88/04/323068804.db2.gz VNYWDBPYKPYZNU-MXWKQRLJSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC12CC2 ZINC000570831924 323072105 /nfs/dbraw/zinc/07/21/05/323072105.db2.gz JWTCATIVHYVXEY-VHSXEESVSA-N 1 2 234.303 1.123 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)c1ccon1)n1cc[nH+]c1 ZINC000570847547 323072626 /nfs/dbraw/zinc/07/26/26/323072626.db2.gz HYLWILDQGANVDP-NXEZZACHSA-N 1 2 248.286 1.700 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2ncccn2)cn1 ZINC000570875175 323073172 /nfs/dbraw/zinc/07/31/72/323073172.db2.gz DOKYKZSUPRYMLO-UHFFFAOYSA-N 1 2 231.303 1.235 20 0 BDADLO c1nn[nH]c1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528658392 323075264 /nfs/dbraw/zinc/07/52/64/323075264.db2.gz MNMGBXKQAHKFIH-ZDUSSCGKSA-N 1 2 243.314 1.831 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000526055516 323079735 /nfs/dbraw/zinc/07/97/35/323079735.db2.gz SMUWCWWBXOKPNL-HRDYMLBCSA-N 1 2 241.364 1.097 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000526055516 323079736 /nfs/dbraw/zinc/07/97/36/323079736.db2.gz SMUWCWWBXOKPNL-HRDYMLBCSA-N 1 2 241.364 1.097 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000563030404 323080487 /nfs/dbraw/zinc/08/04/87/323080487.db2.gz GOJCUNAOFNCYBX-OUAUKWLOSA-N 1 2 248.330 1.408 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000563068750 323084477 /nfs/dbraw/zinc/08/44/77/323084477.db2.gz PSVNPRJSAIOSHZ-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000563068750 323084478 /nfs/dbraw/zinc/08/44/78/323084478.db2.gz PSVNPRJSAIOSHZ-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO COc1ccc[nH+]c1N(C)CC[C@H](C)O ZINC000219846659 323088164 /nfs/dbraw/zinc/08/81/64/323088164.db2.gz BAJVZQFFXGBRAY-VIFPVBQESA-N 1 2 210.277 1.297 20 0 BDADLO Cc1cc(NC[C@H]2CC[C@H](C)O2)nc[nH+]1 ZINC000397897995 323100441 /nfs/dbraw/zinc/10/04/41/323100441.db2.gz AHBYBLLWEBLRCI-VHSXEESVSA-N 1 2 207.277 1.186 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000563190111 323100693 /nfs/dbraw/zinc/10/06/93/323100693.db2.gz MTPOEVREAJESKE-AAEUAGOBSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCOCC(F)F)n1 ZINC000570981779 323102740 /nfs/dbraw/zinc/10/27/40/323102740.db2.gz WQCAWCODKLMXBU-SSDOTTSWSA-N 1 2 249.261 1.653 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCOCC(F)F)n1 ZINC000570981779 323102741 /nfs/dbraw/zinc/10/27/41/323102741.db2.gz WQCAWCODKLMXBU-SSDOTTSWSA-N 1 2 249.261 1.653 20 0 BDADLO CNC(=O)CCSCc1c[nH+]c2ccccn12 ZINC000563239019 323105933 /nfs/dbraw/zinc/10/59/33/323105933.db2.gz ZXAIBMUQNBBGNR-UHFFFAOYSA-N 1 2 249.339 1.704 20 0 BDADLO CCc1nc(NC(=O)C[C@H](C)n2cc[nH+]c2)n[nH]1 ZINC000563246355 323106608 /nfs/dbraw/zinc/10/66/08/323106608.db2.gz BCGMFTSQPDAHEZ-QMMMGPOBSA-N 1 2 248.290 1.153 20 0 BDADLO CCc1nnc(NC(=O)C[C@H](C)n2cc[nH+]c2)[nH]1 ZINC000563246355 323106609 /nfs/dbraw/zinc/10/66/09/323106609.db2.gz BCGMFTSQPDAHEZ-QMMMGPOBSA-N 1 2 248.290 1.153 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C2CC2)CC1 ZINC000531625732 323110525 /nfs/dbraw/zinc/11/05/25/323110525.db2.gz LQQHTJDFWCXEHG-UHFFFAOYSA-N 1 2 234.303 1.162 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)no1 ZINC000531801469 323114074 /nfs/dbraw/zinc/11/40/74/323114074.db2.gz UVYUUFJSIQDSHY-GHMZBOCLSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)no1 ZINC000531801469 323114075 /nfs/dbraw/zinc/11/40/75/323114075.db2.gz UVYUUFJSIQDSHY-GHMZBOCLSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)no1 ZINC000531801470 323114109 /nfs/dbraw/zinc/11/41/09/323114109.db2.gz UVYUUFJSIQDSHY-MNOVXSKESA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)no1 ZINC000531801470 323114110 /nfs/dbraw/zinc/11/41/10/323114110.db2.gz UVYUUFJSIQDSHY-MNOVXSKESA-N 1 2 237.303 1.379 20 0 BDADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)ncn1 ZINC000534330175 323116813 /nfs/dbraw/zinc/11/68/13/323116813.db2.gz OORWALFHDGZLCX-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCCCCO)ccn12 ZINC000563394879 323122539 /nfs/dbraw/zinc/12/25/39/323122539.db2.gz QZVXFTOLCBSHDO-UHFFFAOYSA-N 1 2 247.298 1.145 20 0 BDADLO CCc1cc(C[NH2+]Cc2cncn2C)on1 ZINC000309976938 323122823 /nfs/dbraw/zinc/12/28/23/323122823.db2.gz UCGHTKWNPZYLNN-UHFFFAOYSA-N 1 2 220.276 1.260 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1noc(C2CC2)n1 ZINC000563422827 323124240 /nfs/dbraw/zinc/12/42/40/323124240.db2.gz CJWQMGGJUJELNF-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H](CO)C[C@H](C)C1 ZINC000563423200 323124294 /nfs/dbraw/zinc/12/42/94/323124294.db2.gz DVPJUTHDWAFSBF-JOYOIKCWSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H]1CCC[C@@H]1O ZINC000563424652 323125868 /nfs/dbraw/zinc/12/58/68/323125868.db2.gz DTBDIDRMEYVEEL-RYUDHWBXSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000563425490 323126092 /nfs/dbraw/zinc/12/60/92/323126092.db2.gz RFYBWEBHKLDGAC-NEPJUHHUSA-N 1 2 233.315 1.709 20 0 BDADLO CC[C@@H](CNc1nc(C)[nH+]cc1C)OC ZINC000563425349 323126096 /nfs/dbraw/zinc/12/60/96/323126096.db2.gz OKBUZBPPEUYXKX-JTQLQIEISA-N 1 2 209.293 1.352 20 0 BDADLO CC[C@@H](COC)Nc1nc(N)c2ccccc2[nH+]1 ZINC000563489317 323127756 /nfs/dbraw/zinc/12/77/56/323127756.db2.gz ZEBJEQIXMMFYLW-VIFPVBQESA-N 1 2 246.314 1.301 20 0 BDADLO CC[C@@H](NC(=O)c1[nH]c(=O)[nH]c1C)c1[nH]cc[nH+]1 ZINC000563633205 323132734 /nfs/dbraw/zinc/13/27/34/323132734.db2.gz AFDXPBCAJPRBBT-SSDOTTSWSA-N 1 2 249.274 1.028 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCCCC(F)(F)F ZINC000152262856 323134459 /nfs/dbraw/zinc/13/44/59/323134459.db2.gz SWJSFUNAYHSYCD-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCCCC(F)(F)F ZINC000152262856 323134460 /nfs/dbraw/zinc/13/44/60/323134460.db2.gz SWJSFUNAYHSYCD-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)no1 ZINC000571091725 323135189 /nfs/dbraw/zinc/13/51/89/323135189.db2.gz DHWFCAIWHNDJRT-DMLMCSCLSA-N 1 2 237.303 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)no1 ZINC000571091725 323135190 /nfs/dbraw/zinc/13/51/90/323135190.db2.gz DHWFCAIWHNDJRT-DMLMCSCLSA-N 1 2 237.303 1.142 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@@H]1CCC(C)(C)O1 ZINC000160822401 323136754 /nfs/dbraw/zinc/13/67/54/323136754.db2.gz HOZMQWJRWSKIIR-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@@H]1CCC(C)(C)O1 ZINC000160822401 323136755 /nfs/dbraw/zinc/13/67/55/323136755.db2.gz HOZMQWJRWSKIIR-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CCCOCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000571172031 323137546 /nfs/dbraw/zinc/13/75/46/323137546.db2.gz ISMWMRXFAFPXNM-UHFFFAOYSA-N 1 2 239.319 1.496 20 0 BDADLO Cc1cc(NC(=O)CCC(C)(C)O)cc[nH+]1 ZINC000571261350 323139431 /nfs/dbraw/zinc/13/94/31/323139431.db2.gz XLJHECXSNIINLY-UHFFFAOYSA-N 1 2 222.288 1.302 20 0 BDADLO Cc1[nH]c(CNCc2ccn(C)n2)[nH+]c1C ZINC000571299047 323140765 /nfs/dbraw/zinc/14/07/65/323140765.db2.gz KWNQCYOOCVGXMG-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000571407366 323143854 /nfs/dbraw/zinc/14/38/54/323143854.db2.gz DLZSBBKAPPFTQN-SECBINFHSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnsc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000571407366 323143855 /nfs/dbraw/zinc/14/38/55/323143855.db2.gz DLZSBBKAPPFTQN-SECBINFHSA-N 1 2 241.360 1.846 20 0 BDADLO C[C@H]([NH2+]Cc1cnns1)c1ncccc1F ZINC000528827531 323151257 /nfs/dbraw/zinc/15/12/57/323151257.db2.gz WEUDLFQYWVNWJA-ZETCQYMHSA-N 1 2 238.291 1.923 20 0 BDADLO Cc1cc(NC(=O)N(C)CC2CC2)c(C)c[nH+]1 ZINC000535059350 323164839 /nfs/dbraw/zinc/16/48/39/323164839.db2.gz DFMGKBOVQQIBFZ-UHFFFAOYSA-N 1 2 233.315 1.994 20 0 BDADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1nncn1C ZINC000535526784 323173648 /nfs/dbraw/zinc/17/36/48/323173648.db2.gz YRCBTYZNTWPMRP-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1nncn1C ZINC000535526784 323173649 /nfs/dbraw/zinc/17/36/49/323173649.db2.gz YRCBTYZNTWPMRP-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO CC(C)(C)[C@H](CO)[NH2+]Cc1nnsc1Cl ZINC000308860757 323180157 /nfs/dbraw/zinc/18/01/57/323180157.db2.gz RHPYKCRALYYJHP-ZETCQYMHSA-N 1 2 249.767 1.688 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cn1 ZINC000152411727 323181404 /nfs/dbraw/zinc/18/14/04/323181404.db2.gz UQEZPTGUMBEUIR-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cn1 ZINC000152411727 323181405 /nfs/dbraw/zinc/18/14/05/323181405.db2.gz UQEZPTGUMBEUIR-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCC3(CCCC3)C2)[nH]1 ZINC000526084672 323188712 /nfs/dbraw/zinc/18/87/12/323188712.db2.gz CFLUSJDVDJLIIO-UHFFFAOYSA-N 1 2 236.319 1.667 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCC3(CCCC3)C2)[nH]1 ZINC000526084672 323188713 /nfs/dbraw/zinc/18/87/13/323188713.db2.gz CFLUSJDVDJLIIO-UHFFFAOYSA-N 1 2 236.319 1.667 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCOC2)c(C)c[nH+]1 ZINC000535748489 323190262 /nfs/dbraw/zinc/19/02/62/323190262.db2.gz IXTIAWSBFHIFKP-JTQLQIEISA-N 1 2 220.272 1.095 20 0 BDADLO CCn1cc[nH+]c1CNc1cnn(CCOC)c1 ZINC000051922797 323191928 /nfs/dbraw/zinc/19/19/28/323191928.db2.gz WRGQQFDNUZRGCY-UHFFFAOYSA-N 1 2 249.318 1.358 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575099 323198031 /nfs/dbraw/zinc/19/80/31/323198031.db2.gz CKENWJFVZWWIAF-LLVKDONJSA-N 1 2 222.288 1.484 20 0 BDADLO Cc1cc(N2C[C@@H](O)CC[C@H]2C)nc[nH+]1 ZINC000399245998 323201758 /nfs/dbraw/zinc/20/17/58/323201758.db2.gz IKSVNMXBMRBXTL-ZJUUUORDSA-N 1 2 207.277 1.135 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000547483503 323205903 /nfs/dbraw/zinc/20/59/03/323205903.db2.gz RHMTXCKCXVZXOW-WDEREUQCSA-N 1 2 235.331 1.515 20 0 BDADLO CC1(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000532122830 323206235 /nfs/dbraw/zinc/20/62/35/323206235.db2.gz ADSZTDMRPMPDAR-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2cnccn2)on1 ZINC000532234154 323210946 /nfs/dbraw/zinc/21/09/46/323210946.db2.gz OZQCIMOALVMFTM-SECBINFHSA-N 1 2 232.287 1.878 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCF ZINC000532242684 323211526 /nfs/dbraw/zinc/21/15/26/323211526.db2.gz RPKJNHGVKGUQKL-SECBINFHSA-N 1 2 235.324 1.327 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCF ZINC000532242684 323211527 /nfs/dbraw/zinc/21/15/27/323211527.db2.gz RPKJNHGVKGUQKL-SECBINFHSA-N 1 2 235.324 1.327 20 0 BDADLO CC(C)c1nccc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000532342081 323252769 /nfs/dbraw/zinc/25/27/69/323252769.db2.gz YTWWFMQZIHIDRX-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CC(C)n1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000571849941 323492940 /nfs/dbraw/zinc/49/29/40/323492940.db2.gz LOCCWIXQHBJRTI-UHFFFAOYSA-N 1 2 233.275 1.299 20 0 BDADLO Cc1cccc(CC(=O)NCc2c[nH+]cn2C)c1 ZINC000572449355 323634388 /nfs/dbraw/zinc/63/43/88/323634388.db2.gz NJPOXJWQAKFSED-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H](CC(N)=O)C1 ZINC000527911425 323719922 /nfs/dbraw/zinc/71/99/22/323719922.db2.gz FOPLTMQZFIKBLF-SNVBAGLBSA-N 1 2 249.314 1.182 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)co1 ZINC000660375297 487961269 /nfs/dbraw/zinc/96/12/69/487961269.db2.gz RWJXECXQFAHJHU-AEJSXWLSSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)co1 ZINC000660375297 487961273 /nfs/dbraw/zinc/96/12/73/487961273.db2.gz RWJXECXQFAHJHU-AEJSXWLSSA-N 1 2 224.304 1.981 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1=CCCCC1 ZINC000119152797 323911707 /nfs/dbraw/zinc/91/17/07/323911707.db2.gz SUAXZNUNLWQEPH-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CCn1nccc1C[NH2+]Cc1ncc(C)s1 ZINC000119378425 323923037 /nfs/dbraw/zinc/92/30/37/323923037.db2.gz WWGVMVSBNVDUQL-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO C[C@@H](NC(=O)N1CC(C2CC2)C1)c1[nH+]ccn1C ZINC000667248657 487962054 /nfs/dbraw/zinc/96/20/54/487962054.db2.gz CRTJRTSUSHWBHT-SECBINFHSA-N 1 2 248.330 1.533 20 0 BDADLO NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060528274 324039165 /nfs/dbraw/zinc/03/91/65/324039165.db2.gz BJCYFKMVWLMWOL-ZZXKWVIFSA-N 1 2 213.240 1.371 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000123076982 324079951 /nfs/dbraw/zinc/07/99/51/324079951.db2.gz XOUSDUWPRIQYFW-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO CCn1nncc1C[N@H+](CC)Cc1ccccn1 ZINC000459376343 324146110 /nfs/dbraw/zinc/14/61/10/324146110.db2.gz WLIUWYFNOCCXSA-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO CCn1nncc1C[N@@H+](CC)Cc1ccccn1 ZINC000459376343 324146112 /nfs/dbraw/zinc/14/61/12/324146112.db2.gz WLIUWYFNOCCXSA-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@](C)(O)C1 ZINC000234946903 324150473 /nfs/dbraw/zinc/15/04/73/324150473.db2.gz LVFANCRWPIHKPW-NSHDSACASA-N 1 2 208.261 1.051 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1CCC(F)(F)F ZINC000152588670 324195196 /nfs/dbraw/zinc/19/51/96/324195196.db2.gz FOPGSKRZUVGWPW-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(F)(F)F ZINC000152588670 324195200 /nfs/dbraw/zinc/19/52/00/324195200.db2.gz FOPGSKRZUVGWPW-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cocc1C ZINC000529447035 324301543 /nfs/dbraw/zinc/30/15/43/324301543.db2.gz WJZRUVSXWXIOCO-UHFFFAOYSA-N 1 2 233.271 1.734 20 0 BDADLO CN1CC[N@H+](Cc2ccc3cc[nH]c3c2)CC1=O ZINC000529529967 324325449 /nfs/dbraw/zinc/32/54/49/324325449.db2.gz HKJQFMRCTXIDLY-UHFFFAOYSA-N 1 2 243.310 1.442 20 0 BDADLO CN1CC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1=O ZINC000529529967 324325452 /nfs/dbraw/zinc/32/54/52/324325452.db2.gz HKJQFMRCTXIDLY-UHFFFAOYSA-N 1 2 243.310 1.442 20 0 BDADLO Cn1cc(-c2nc(C[NH2+]CCF)cs2)cn1 ZINC000529555597 324340659 /nfs/dbraw/zinc/34/06/59/324340659.db2.gz HVAYGDSNRBYQJS-UHFFFAOYSA-N 1 2 240.307 1.603 20 0 BDADLO CCn1ncc(C[NH2+]Cc2oc(C)nc2C)n1 ZINC000529641391 324369590 /nfs/dbraw/zinc/36/95/90/324369590.db2.gz YWRDKLSNBSLXPT-UHFFFAOYSA-N 1 2 235.291 1.193 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653558705 487964406 /nfs/dbraw/zinc/96/44/06/487964406.db2.gz PTFPQZWSEXBETO-ZJUUUORDSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653558705 487964408 /nfs/dbraw/zinc/96/44/08/487964408.db2.gz PTFPQZWSEXBETO-ZJUUUORDSA-N 1 2 237.351 1.658 20 0 BDADLO CCc1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000125181540 324634207 /nfs/dbraw/zinc/63/42/07/324634207.db2.gz HLVKZAFGMLXODL-AATRIKPKSA-N 1 2 245.282 1.895 20 0 BDADLO COc1ccc[nH+]c1NCC(=O)N1CCCC1 ZINC000228842043 324927895 /nfs/dbraw/zinc/92/78/95/324927895.db2.gz ITQXFYSSLXWPSG-UHFFFAOYSA-N 1 2 235.287 1.125 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541880594 324987982 /nfs/dbraw/zinc/98/79/82/324987982.db2.gz LALCKKKIDOUCNT-WDEREUQCSA-N 1 2 235.331 1.949 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130034865 325006144 /nfs/dbraw/zinc/00/61/44/325006144.db2.gz PEOMIWZRYXKIBA-UHFFFAOYSA-N 1 2 248.326 1.446 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccnc1C1CC1 ZINC000542352199 325022267 /nfs/dbraw/zinc/02/22/67/325022267.db2.gz LSNSLGVUNHISFT-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO CCC[N@H+](CCC(=O)N(C)CC)CC(F)F ZINC000130283815 325034781 /nfs/dbraw/zinc/03/47/81/325034781.db2.gz HHBYEGUDFVHEME-UHFFFAOYSA-N 1 2 236.306 1.832 20 0 BDADLO CCC[N@@H+](CCC(=O)N(C)CC)CC(F)F ZINC000130283815 325034785 /nfs/dbraw/zinc/03/47/85/325034785.db2.gz HHBYEGUDFVHEME-UHFFFAOYSA-N 1 2 236.306 1.832 20 0 BDADLO O=C(/C=C/c1ccc(F)cc1)NCc1[nH]cc[nH+]1 ZINC000070990316 325048940 /nfs/dbraw/zinc/04/89/40/325048940.db2.gz MEWPMSOWPDOYOV-ZZXKWVIFSA-N 1 2 245.257 1.878 20 0 BDADLO C[C@H](O)C1CC[NH+](Cc2csnn2)CC1 ZINC000130420696 325050999 /nfs/dbraw/zinc/05/09/99/325050999.db2.gz JTYDNZDXJFEQGL-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nscc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542826309 325054107 /nfs/dbraw/zinc/05/41/07/325054107.db2.gz JWAPLTTUYNMFOT-UHFFFAOYSA-N 1 2 248.311 1.345 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cccc(O)c1 ZINC000543841288 325117158 /nfs/dbraw/zinc/11/71/58/325117158.db2.gz IVWPDGGWOMXWKY-CYBMUJFWSA-N 1 2 249.310 1.776 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cccc(O)c1 ZINC000543841288 325117159 /nfs/dbraw/zinc/11/71/59/325117159.db2.gz IVWPDGGWOMXWKY-CYBMUJFWSA-N 1 2 249.310 1.776 20 0 BDADLO C[C@@H](Cc1ccsc1)[NH+]1CCS(=O)CC1 ZINC000544014066 325126852 /nfs/dbraw/zinc/12/68/52/325126852.db2.gz RXKYZHBYTKAIJG-JTQLQIEISA-N 1 2 243.397 1.743 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000131231399 325128567 /nfs/dbraw/zinc/12/85/67/325128567.db2.gz OONNVWSKUSWPAG-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO OCCOCCOc1ccccc1-n1cc[nH+]c1 ZINC000545182449 325184849 /nfs/dbraw/zinc/18/48/49/325184849.db2.gz YZGYCKMIBXFUQU-UHFFFAOYSA-N 1 2 248.282 1.260 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)nc1 ZINC000131868641 325188554 /nfs/dbraw/zinc/18/85/54/325188554.db2.gz GDLPLXIOQHXFMW-GFCCVEGCSA-N 1 2 233.315 1.230 20 0 BDADLO Cc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)nc1 ZINC000131868641 325188559 /nfs/dbraw/zinc/18/85/59/325188559.db2.gz GDLPLXIOQHXFMW-GFCCVEGCSA-N 1 2 233.315 1.230 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000131988277 325193856 /nfs/dbraw/zinc/19/38/56/325193856.db2.gz SDCUXKVHJYIEOR-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000131988277 325193858 /nfs/dbraw/zinc/19/38/58/325193858.db2.gz SDCUXKVHJYIEOR-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132493197 325221478 /nfs/dbraw/zinc/22/14/78/325221478.db2.gz XBYNYVVNSJXCDI-GFCCVEGCSA-N 1 2 249.358 1.769 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132493197 325221481 /nfs/dbraw/zinc/22/14/81/325221481.db2.gz XBYNYVVNSJXCDI-GFCCVEGCSA-N 1 2 249.358 1.769 20 0 BDADLO NC(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000074448533 325246439 /nfs/dbraw/zinc/24/64/39/325246439.db2.gz GBXJYDDZLJKYKW-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO NC(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000074448533 325246441 /nfs/dbraw/zinc/24/64/41/325246441.db2.gz GBXJYDDZLJKYKW-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO C[C@]1(CO)CCC[N@@H+]1Cc1nccn1C(F)F ZINC000546812164 325313404 /nfs/dbraw/zinc/31/34/04/325313404.db2.gz YVHOCKVGDDAEEJ-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO C[C@]1(CO)CCC[N@H+]1Cc1nccn1C(F)F ZINC000546812164 325313406 /nfs/dbraw/zinc/31/34/06/325313406.db2.gz YVHOCKVGDDAEEJ-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO c1cn(CCc2nc([C@@H]3CCCO3)no2)c[nH+]1 ZINC000547180820 325330098 /nfs/dbraw/zinc/33/00/98/325330098.db2.gz IBOLGOIIIXVLKV-VIFPVBQESA-N 1 2 234.259 1.360 20 0 BDADLO CCc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000134495132 325361363 /nfs/dbraw/zinc/36/13/63/325361363.db2.gz RCPDGWLHKMSXLC-UHFFFAOYSA-N 1 2 243.310 1.945 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC000547482390 325361488 /nfs/dbraw/zinc/36/14/88/325361488.db2.gz ZBKJABJMUXBPNS-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1O ZINC000134494535 325361603 /nfs/dbraw/zinc/36/16/03/325361603.db2.gz GGNIZYVOFKKQAU-UHFFFAOYSA-N 1 2 231.255 1.088 20 0 BDADLO O=C(Cc1ccc(F)cc1)NCCc1[nH]cc[nH+]1 ZINC000134495989 325361628 /nfs/dbraw/zinc/36/16/28/325361628.db2.gz RVBFZWSJBNLLKK-UHFFFAOYSA-N 1 2 247.273 1.450 20 0 BDADLO Cc1ccccc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000134493896 325361646 /nfs/dbraw/zinc/36/16/46/325361646.db2.gz JCRIPAQIFVQQOW-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO CSCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000134794996 325376900 /nfs/dbraw/zinc/37/69/00/325376900.db2.gz DUTKTKXWFAGIQJ-UHFFFAOYSA-N 1 2 241.360 1.522 20 0 BDADLO COCc1noc([C@H](C)[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000547770108 325392028 /nfs/dbraw/zinc/39/20/28/325392028.db2.gz KBQGRPWXEVBGCZ-HLTSFMKQSA-N 1 2 225.292 1.760 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000547864172 325409840 /nfs/dbraw/zinc/40/98/40/325409840.db2.gz RVFCEZXNJFCDKG-VXGBXAGGSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548128749 325433468 /nfs/dbraw/zinc/43/34/68/325433468.db2.gz UHUJQFBBAOURPD-NWDGAFQWSA-N 1 2 233.315 1.559 20 0 BDADLO c1c(CCNc2cccnn2)[nH+]c2ccccn12 ZINC000548416977 325454872 /nfs/dbraw/zinc/45/48/72/325454872.db2.gz YSXLDJFVUDKWDU-UHFFFAOYSA-N 1 2 239.282 1.201 20 0 BDADLO COC[C@@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OC ZINC000551804790 325570348 /nfs/dbraw/zinc/57/03/48/325570348.db2.gz HQNGLYOYHPWMFY-GFCCVEGCSA-N 1 2 245.363 1.692 20 0 BDADLO Cc1nnc(NCCCCn2cc[nH+]c2)s1 ZINC000083584198 325572072 /nfs/dbraw/zinc/57/20/72/325572072.db2.gz QEKLGRPAZFVVCS-UHFFFAOYSA-N 1 2 237.332 1.935 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncncc1Cl)CC2 ZINC000682469101 487968834 /nfs/dbraw/zinc/96/88/34/487968834.db2.gz RWWSLYRMOXCTSP-UHFFFAOYSA-N 1 2 249.705 1.655 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCCC1CC1 ZINC000554514684 325723517 /nfs/dbraw/zinc/72/35/17/325723517.db2.gz LSCYEVYDZFTMMK-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000555228198 325750458 /nfs/dbraw/zinc/75/04/58/325750458.db2.gz WWOXKNGZKAGHEV-GHMZBOCLSA-N 1 2 221.304 1.578 20 0 BDADLO FC(F)(F)c1cc(C[NH2+]Cc2ccno2)[nH]n1 ZINC000564986801 325839868 /nfs/dbraw/zinc/83/98/68/325839868.db2.gz QXOIPKFZHLMTHX-UHFFFAOYSA-N 1 2 246.192 1.706 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000672147278 487970757 /nfs/dbraw/zinc/97/07/57/487970757.db2.gz JNTFZZSQFBNBRD-QWRGUYRKSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H](NC(=O)N1CCCCO1)c1[nH+]ccn1C ZINC000667250338 487970765 /nfs/dbraw/zinc/97/07/65/487970765.db2.gz MKTNLUPHSIYDJC-SECBINFHSA-N 1 2 238.291 1.218 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682489199 487970541 /nfs/dbraw/zinc/97/05/41/487970541.db2.gz LJGKVDRKIKLRGN-LLVKDONJSA-N 1 2 249.358 1.950 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000566140658 326002528 /nfs/dbraw/zinc/00/25/28/326002528.db2.gz QIOGHTLGKTXKKZ-NXEZZACHSA-N 1 2 246.314 1.050 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000566285444 326028835 /nfs/dbraw/zinc/02/88/35/326028835.db2.gz RIXBMJJGDJKUMZ-UHFFFAOYSA-N 1 2 209.293 1.220 20 0 BDADLO C[C@H](CC(=O)N(C)c1nccn1C)n1cc[nH+]c1 ZINC000566303289 326031345 /nfs/dbraw/zinc/03/13/45/326031345.db2.gz GKIGCUFJNVNRDB-SNVBAGLBSA-N 1 2 247.302 1.231 20 0 BDADLO C[C@@H](CC(=O)N1CCn2nccc21)n1cc[nH+]c1 ZINC000566308304 326032398 /nfs/dbraw/zinc/03/23/98/326032398.db2.gz GWPBZYMYNBVNLT-JTQLQIEISA-N 1 2 245.286 1.078 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccoc1 ZINC000566469108 326052050 /nfs/dbraw/zinc/05/20/50/326052050.db2.gz IOCZMSOZEADHRL-UHFFFAOYSA-N 1 2 219.244 1.426 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](C)Cn1cccn1 ZINC000566479459 326055237 /nfs/dbraw/zinc/05/52/37/326055237.db2.gz YUQBVBMCMQHICY-JTQLQIEISA-N 1 2 245.330 1.460 20 0 BDADLO COc1nccnc1C[NH2+]C1(CF)CCC1 ZINC000566619233 326068357 /nfs/dbraw/zinc/06/83/57/326068357.db2.gz DDYAUVANNRWCOM-UHFFFAOYSA-N 1 2 225.267 1.467 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]1C1CC1 ZINC000572578472 326091875 /nfs/dbraw/zinc/09/18/75/326091875.db2.gz JPTXGXJXEPBBFE-ZYHUDNBSSA-N 1 2 248.330 1.466 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC(C)=C[C@@H](C)C1 ZINC000566985422 326100005 /nfs/dbraw/zinc/10/00/05/326100005.db2.gz JEWNNIYYUJYRCE-MRVPVSSYSA-N 1 2 234.303 1.470 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC(C)=C[C@@H](C)C1 ZINC000566985422 326100009 /nfs/dbraw/zinc/10/00/09/326100009.db2.gz JEWNNIYYUJYRCE-MRVPVSSYSA-N 1 2 234.303 1.470 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)N[C@H]1CC12CC2 ZINC000567229698 326146632 /nfs/dbraw/zinc/14/66/32/326146632.db2.gz CUJOWSSGNKAZIN-JTQLQIEISA-N 1 2 246.314 1.345 20 0 BDADLO COc1ccc[nH+]c1NC[C@@](C)(O)C(C)C ZINC000309766847 326167570 /nfs/dbraw/zinc/16/75/70/326167570.db2.gz NVRALHHDYZCSSG-GFCCVEGCSA-N 1 2 224.304 1.909 20 0 BDADLO COC(=O)CC1([NH2+]Cc2nc(C)c(C)o2)CC1 ZINC000567356573 326173018 /nfs/dbraw/zinc/17/30/18/326173018.db2.gz QFMSROAWEHLMQI-UHFFFAOYSA-N 1 2 238.287 1.477 20 0 BDADLO CN1CC[N@H+](Cc2ccccn2)CC1(C)C ZINC000567365332 326175794 /nfs/dbraw/zinc/17/57/94/326175794.db2.gz XNARKULCRSYTRS-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO CN1CC[N@@H+](Cc2ccccn2)CC1(C)C ZINC000567365332 326175797 /nfs/dbraw/zinc/17/57/97/326175797.db2.gz XNARKULCRSYTRS-UHFFFAOYSA-N 1 2 219.332 1.608 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000567486099 326202519 /nfs/dbraw/zinc/20/25/19/326202519.db2.gz ZVQRBQKQOOSRHK-OHBODLIOSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000567486099 326202521 /nfs/dbraw/zinc/20/25/21/326202521.db2.gz ZVQRBQKQOOSRHK-OHBODLIOSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@@H]1OCC[N@H+](CC(=O)NC(C)(C)C)[C@H]1C ZINC000156246091 326224923 /nfs/dbraw/zinc/22/49/23/326224923.db2.gz CQFOYKFMTIQEJU-UWVGGRQHSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H]1OCC[N@@H+](CC(=O)NC(C)(C)C)[C@H]1C ZINC000156246091 326224926 /nfs/dbraw/zinc/22/49/26/326224926.db2.gz CQFOYKFMTIQEJU-UWVGGRQHSA-N 1 2 228.336 1.010 20 0 BDADLO CCOCC[N@H+](CC)[C@@H](C)c1nnc(C)o1 ZINC000157621426 326287343 /nfs/dbraw/zinc/28/73/43/326287343.db2.gz BNERAUUGESLXAG-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO CCOCC[N@@H+](CC)[C@@H](C)c1nnc(C)o1 ZINC000157621426 326287344 /nfs/dbraw/zinc/28/73/44/326287344.db2.gz BNERAUUGESLXAG-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CCc3cccc(F)c3C2)C1=O ZINC000157882456 326299403 /nfs/dbraw/zinc/29/94/03/326299403.db2.gz SLGKIOLSAVHKAI-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@@H]([N@H+]2CCc3cccc(F)c3C2)C1=O ZINC000157882456 326299406 /nfs/dbraw/zinc/29/94/06/326299406.db2.gz SLGKIOLSAVHKAI-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO CC[C@H](OC)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000568069995 326304076 /nfs/dbraw/zinc/30/40/76/326304076.db2.gz VZYHHYFEVWNTCL-VIFPVBQESA-N 1 2 239.319 1.494 20 0 BDADLO C[C@H]1[N@H+](Cc2ccc(C#N)cn2)CCOC1(C)C ZINC000568164929 326317549 /nfs/dbraw/zinc/31/75/49/326317549.db2.gz DDGJTXUGXPRSMX-LLVKDONJSA-N 1 2 245.326 1.953 20 0 BDADLO C[C@H]1[N@@H+](Cc2ccc(C#N)cn2)CCOC1(C)C ZINC000568164929 326317550 /nfs/dbraw/zinc/31/75/50/326317550.db2.gz DDGJTXUGXPRSMX-LLVKDONJSA-N 1 2 245.326 1.953 20 0 BDADLO CN(C)C(=O)CCC[N@H+](C)CC(F)F ZINC000568168874 326318961 /nfs/dbraw/zinc/31/89/61/326318961.db2.gz UWJKKUPHROIPJV-UHFFFAOYSA-N 1 2 208.252 1.052 20 0 BDADLO CN(C)C(=O)CCC[N@@H+](C)CC(F)F ZINC000568168874 326318962 /nfs/dbraw/zinc/31/89/62/326318962.db2.gz UWJKKUPHROIPJV-UHFFFAOYSA-N 1 2 208.252 1.052 20 0 BDADLO CCc1nc(C)c(CNc2nc(C)[nH+]cc2C)o1 ZINC000568248176 326334152 /nfs/dbraw/zinc/33/41/52/326334152.db2.gz JMWCIMLPPQDVGV-UHFFFAOYSA-N 1 2 246.314 1.986 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnn(C)c2)[nH]c1C ZINC000568269321 326337999 /nfs/dbraw/zinc/33/79/99/326337999.db2.gz HSOINNVQQACXAY-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cc1[nH]c(CNCc2cnn(C)c2)[nH+]c1C ZINC000568269321 326338001 /nfs/dbraw/zinc/33/80/01/326338001.db2.gz HSOINNVQQACXAY-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1F ZINC000568382623 326352011 /nfs/dbraw/zinc/35/20/11/326352011.db2.gz FCSFNQCMOOKBQI-CMPLNLGQSA-N 1 2 239.294 1.528 20 0 BDADLO CCN(CC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000568460959 326357714 /nfs/dbraw/zinc/35/77/14/326357714.db2.gz JMLSCLXACHLUJT-UHFFFAOYSA-N 1 2 235.209 1.294 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507101 326360411 /nfs/dbraw/zinc/36/04/11/326360411.db2.gz JHAGVSZKPXLQFJ-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507101 326360414 /nfs/dbraw/zinc/36/04/14/326360414.db2.gz JHAGVSZKPXLQFJ-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000568507100 326360623 /nfs/dbraw/zinc/36/06/23/326360623.db2.gz JHAGVSZKPXLQFJ-QWRGUYRKSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@H](C[C@H](C)O)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568519286 326362210 /nfs/dbraw/zinc/36/22/10/326362210.db2.gz DFZCDHRFHVNLFE-MXWKQRLJSA-N 1 2 239.319 1.110 20 0 BDADLO CN(C)C(=O)CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000568526538 326363333 /nfs/dbraw/zinc/36/33/33/326363333.db2.gz AYTJNWYYGIUKAZ-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CN(C)C(=O)CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000568526538 326363334 /nfs/dbraw/zinc/36/33/34/326363334.db2.gz AYTJNWYYGIUKAZ-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000568664102 326372045 /nfs/dbraw/zinc/37/20/45/326372045.db2.gz IYWZBSJQFBHCEN-HTQZYQBOSA-N 1 2 208.265 1.208 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000568680493 326372302 /nfs/dbraw/zinc/37/23/02/326372302.db2.gz JNXWLUFGGBNBGR-UWVGGRQHSA-N 1 2 221.304 1.362 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCCCCn1cc[nH+]c1 ZINC000568686298 326372378 /nfs/dbraw/zinc/37/23/78/326372378.db2.gz QVWPWBPYVUPALP-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CC23CCCC3)c[nH+]1 ZINC000568710838 326373011 /nfs/dbraw/zinc/37/30/11/326373011.db2.gz BSUMISDQLNQOEC-SNVBAGLBSA-N 1 2 219.288 1.781 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C(=O)OC ZINC000568716429 326373455 /nfs/dbraw/zinc/37/34/55/326373455.db2.gz ZDDMLMMGZBOIQN-VWYCJHECSA-N 1 2 243.347 1.589 20 0 BDADLO c1cn(CCN2Cc3cccnc3C2)c[nH+]1 ZINC000568743737 326374434 /nfs/dbraw/zinc/37/44/34/326374434.db2.gz XHDVQQOCFRVJHR-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3nncc3C2)c(C)s1 ZINC000568764076 326375396 /nfs/dbraw/zinc/37/53/96/326375396.db2.gz GPNVRQZUIYCUHB-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cc1cc(C[N@H+]2CCn3nncc3C2)c(C)s1 ZINC000568764076 326375398 /nfs/dbraw/zinc/37/53/98/326375398.db2.gz GPNVRQZUIYCUHB-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1O)c1csnn1 ZINC000568779944 326377423 /nfs/dbraw/zinc/37/74/23/326377423.db2.gz SYDZNOJIXNELNA-ZETCQYMHSA-N 1 2 236.300 1.490 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)o1)[C@H](C)CO ZINC000569066247 326388285 /nfs/dbraw/zinc/38/82/85/326388285.db2.gz OVASCCFBALDOQC-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)o1)[C@H](C)CO ZINC000569066247 326388287 /nfs/dbraw/zinc/38/82/87/326388287.db2.gz OVASCCFBALDOQC-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000569240276 326397236 /nfs/dbraw/zinc/39/72/36/326397236.db2.gz MPSJNDRRLDQNDS-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000569240276 326397238 /nfs/dbraw/zinc/39/72/38/326397238.db2.gz MPSJNDRRLDQNDS-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC000572720395 326406882 /nfs/dbraw/zinc/40/68/82/326406882.db2.gz UQTBAXFBBUMCDV-UWVGGRQHSA-N 1 2 219.288 1.494 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1ccncc1C ZINC000573241558 326437315 /nfs/dbraw/zinc/43/73/15/326437315.db2.gz IPAKGIAHDBKHOM-UHFFFAOYSA-N 1 2 236.315 1.474 20 0 BDADLO CCOCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547003 487985059 /nfs/dbraw/zinc/98/50/59/487985059.db2.gz ONVQRNZSJPAOTJ-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CCOCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547003 487985065 /nfs/dbraw/zinc/98/50/65/487985065.db2.gz ONVQRNZSJPAOTJ-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO COCCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545891 487985296 /nfs/dbraw/zinc/98/52/96/487985296.db2.gz IDYVUOAHFSARCA-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO COCCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545891 487985300 /nfs/dbraw/zinc/98/53/00/487985300.db2.gz IDYVUOAHFSARCA-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](O)CC(F)(F)C1 ZINC000682548499 487986401 /nfs/dbraw/zinc/98/64/01/487986401.db2.gz YFNIXUKVAPOOJH-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO O[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682559974 487989135 /nfs/dbraw/zinc/98/91/35/487989135.db2.gz YZCVQMPWQLZDJG-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000682559974 487989141 /nfs/dbraw/zinc/98/91/41/487989141.db2.gz YZCVQMPWQLZDJG-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC(F)(F)C1 ZINC000682559972 487989449 /nfs/dbraw/zinc/98/94/49/487989449.db2.gz YZCVQMPWQLZDJG-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC(F)(F)C1 ZINC000682559972 487989458 /nfs/dbraw/zinc/98/94/58/487989458.db2.gz YZCVQMPWQLZDJG-UWVGGRQHSA-N 1 2 235.274 1.115 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2nccn2C)nc1 ZINC000400850950 487992154 /nfs/dbraw/zinc/99/21/54/487992154.db2.gz FZMINZUJHWUWLW-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO Cc1cc(NC(=O)C[C@H]2CCCO2)cc[nH+]1 ZINC000074722242 488020044 /nfs/dbraw/zinc/02/00/44/488020044.db2.gz RLMZIDVTBURXAM-LLVKDONJSA-N 1 2 220.272 1.898 20 0 BDADLO CCc1cc(N[C@H](C)c2ncnn2C)nc[nH+]1 ZINC000682720594 488025388 /nfs/dbraw/zinc/02/53/88/488025388.db2.gz RICNGJAWUNYUSB-MRVPVSSYSA-N 1 2 232.291 1.341 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000159431463 488031113 /nfs/dbraw/zinc/03/11/13/488031113.db2.gz IPXQFGPQYIULSK-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000159431463 488031118 /nfs/dbraw/zinc/03/11/18/488031118.db2.gz IPXQFGPQYIULSK-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ncc[nH]1 ZINC000669147213 488030859 /nfs/dbraw/zinc/03/08/59/488030859.db2.gz PFACOQKRDMZNST-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000682760084 488031421 /nfs/dbraw/zinc/03/14/21/488031421.db2.gz NVSUXRRGYPSNPM-NWDGAFQWSA-N 1 2 239.315 1.814 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000682760084 488031424 /nfs/dbraw/zinc/03/14/24/488031424.db2.gz NVSUXRRGYPSNPM-NWDGAFQWSA-N 1 2 239.315 1.814 20 0 BDADLO CCOC1(C(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000668636344 488034757 /nfs/dbraw/zinc/03/47/57/488034757.db2.gz SKSBJNUBUYSRSR-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)n2cccn2)cc[nH+]1 ZINC000668636756 488034958 /nfs/dbraw/zinc/03/49/58/488034958.db2.gz XYLLSAIHHCCJHP-UHFFFAOYSA-N 1 2 244.298 1.382 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnn1CC1CC1 ZINC000667518021 488037053 /nfs/dbraw/zinc/03/70/53/488037053.db2.gz MRGDOXRUNAEIIJ-NEPJUHHUSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnn1CC1CC1 ZINC000667518021 488037058 /nfs/dbraw/zinc/03/70/58/488037058.db2.gz MRGDOXRUNAEIIJ-NEPJUHHUSA-N 1 2 249.358 1.902 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667532661 488040029 /nfs/dbraw/zinc/04/00/29/488040029.db2.gz UWPUNXPMEDKSJN-GFCCVEGCSA-N 1 2 235.331 1.440 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667532661 488040031 /nfs/dbraw/zinc/04/00/31/488040031.db2.gz UWPUNXPMEDKSJN-GFCCVEGCSA-N 1 2 235.331 1.440 20 0 BDADLO COc1ccccc1C[NH+]1CC(C)(O)C1 ZINC000084356035 488046293 /nfs/dbraw/zinc/04/62/93/488046293.db2.gz VBNDVZOQAFMQKH-UHFFFAOYSA-N 1 2 207.273 1.262 20 0 BDADLO C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000091394297 488048987 /nfs/dbraw/zinc/04/89/87/488048987.db2.gz MBJJQSNLJQUVKW-LLVKDONJSA-N 1 2 249.314 1.310 20 0 BDADLO CC(C)=CCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000682886278 488059758 /nfs/dbraw/zinc/05/97/58/488059758.db2.gz AQIVHSSDKNAFFR-UHFFFAOYSA-N 1 2 248.330 1.683 20 0 BDADLO CC[C@H](C)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670079350 488062124 /nfs/dbraw/zinc/06/21/24/488062124.db2.gz LVLBQKOKMLLVIJ-VIFPVBQESA-N 1 2 236.319 1.490 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1(C2CCC2)CC1 ZINC000650666871 488063392 /nfs/dbraw/zinc/06/33/92/488063392.db2.gz PMJQRNHVYIZAMB-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO CC[C@H](Nc1cc(COC)ncn1)c1[nH]cc[nH+]1 ZINC000682918955 488064078 /nfs/dbraw/zinc/06/40/78/488064078.db2.gz HCMYMHOHDMOHAH-JTQLQIEISA-N 1 2 247.302 1.909 20 0 BDADLO CCCn1nccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000667640477 488067202 /nfs/dbraw/zinc/06/72/02/488067202.db2.gz VGVFTSKZXKFIJQ-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO CCCn1nccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000667640477 488067205 /nfs/dbraw/zinc/06/72/05/488067205.db2.gz VGVFTSKZXKFIJQ-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO O=C([C@@H](O)C1CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000667653253 488075514 /nfs/dbraw/zinc/07/55/14/488075514.db2.gz WGFUUAMKLZNTIE-QWRGUYRKSA-N 1 2 249.314 1.234 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667653245 488075744 /nfs/dbraw/zinc/07/57/44/488075744.db2.gz WEIGAHQOGODJIX-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2ccn(C)n2)c1 ZINC000683000469 488082917 /nfs/dbraw/zinc/08/29/17/488082917.db2.gz ZJMOVALYFNNVLX-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2ccn(C)n2)c1 ZINC000683000469 488082923 /nfs/dbraw/zinc/08/29/23/488082923.db2.gz ZJMOVALYFNNVLX-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc(C)ccn2)CCO1 ZINC000683011838 488092372 /nfs/dbraw/zinc/09/23/72/488092372.db2.gz UYLCKWMNWVBJOX-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc(C)ccn2)CCO1 ZINC000683011838 488092376 /nfs/dbraw/zinc/09/23/76/488092376.db2.gz UYLCKWMNWVBJOX-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COCC1([N@H+](C)Cc2ncccn2)CC1 ZINC000683018965 488094380 /nfs/dbraw/zinc/09/43/80/488094380.db2.gz JCWZAWJANPOTIP-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO COCC1([N@@H+](C)Cc2ncccn2)CC1 ZINC000683018965 488094382 /nfs/dbraw/zinc/09/43/82/488094382.db2.gz JCWZAWJANPOTIP-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO CC[C@]1(NC(=O)Nc2cc[nH+]cc2C)CCOC1 ZINC000683035202 488101778 /nfs/dbraw/zinc/10/17/78/488101778.db2.gz ZCBHANWAVVABAI-ZDUSSCGKSA-N 1 2 249.314 1.503 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]nn1)C1CCC(F)CC1 ZINC000661999154 488105488 /nfs/dbraw/zinc/10/54/88/488105488.db2.gz RTMCFTYEBSVNSL-IDKOKCKLSA-N 1 2 226.299 1.811 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]n1)C1CCC(F)CC1 ZINC000661999154 488105492 /nfs/dbraw/zinc/10/54/92/488105492.db2.gz RTMCFTYEBSVNSL-IDKOKCKLSA-N 1 2 226.299 1.811 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000683108944 488107365 /nfs/dbraw/zinc/10/73/65/488107365.db2.gz ATNMMPDOOGCOAH-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000683108944 488107367 /nfs/dbraw/zinc/10/73/67/488107367.db2.gz ATNMMPDOOGCOAH-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000683108928 488107179 /nfs/dbraw/zinc/10/71/79/488107179.db2.gz AMAWHHCCHYAPSO-GHMZBOCLSA-N 1 2 235.331 1.578 20 0 BDADLO C[C@H]1C[C@H]1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000683108178 488110185 /nfs/dbraw/zinc/11/01/85/488110185.db2.gz DLDGKAXDQBBDED-UWVGGRQHSA-N 1 2 229.287 1.730 20 0 BDADLO C[C@H]1C[C@@H]1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000683108181 488110431 /nfs/dbraw/zinc/11/04/31/488110431.db2.gz DLDGKAXDQBBDED-VHSXEESVSA-N 1 2 229.287 1.730 20 0 BDADLO Cn1cc(C[NH+]2CC3(C2)CC(F)(F)C3)cn1 ZINC000677732999 488111914 /nfs/dbraw/zinc/11/19/14/488111914.db2.gz ITQQYECLYOBWLU-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO FC[C@H]1C[N@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000666399984 488113346 /nfs/dbraw/zinc/11/33/46/488113346.db2.gz LDKLZMJSJWQVRT-JTQLQIEISA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000666399984 488113347 /nfs/dbraw/zinc/11/33/47/488113347.db2.gz LDKLZMJSJWQVRT-JTQLQIEISA-N 1 2 249.289 1.733 20 0 BDADLO CCc1cccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000451815795 488114583 /nfs/dbraw/zinc/11/45/83/488114583.db2.gz MVAWLVZJKBKCML-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1=O ZINC000677736872 488115403 /nfs/dbraw/zinc/11/54/03/488115403.db2.gz GBEAYVWAOGDZQT-JTQLQIEISA-N 1 2 242.269 1.615 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1=O ZINC000677736872 488115408 /nfs/dbraw/zinc/11/54/08/488115408.db2.gz GBEAYVWAOGDZQT-JTQLQIEISA-N 1 2 242.269 1.615 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000666168974 488116657 /nfs/dbraw/zinc/11/66/57/488116657.db2.gz HXLZXJPCOHXKFH-PJXYFTJBSA-N 1 2 240.347 1.358 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000666168974 488116663 /nfs/dbraw/zinc/11/66/63/488116663.db2.gz HXLZXJPCOHXKFH-PJXYFTJBSA-N 1 2 240.347 1.358 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000659994930 488130157 /nfs/dbraw/zinc/13/01/57/488130157.db2.gz PWMANZWWFZZVKR-WCBMZHEXSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000659994930 488130161 /nfs/dbraw/zinc/13/01/61/488130161.db2.gz PWMANZWWFZZVKR-WCBMZHEXSA-N 1 2 238.335 1.131 20 0 BDADLO COc1ccccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000668792041 487545061 /nfs/dbraw/zinc/54/50/61/487545061.db2.gz IKABDASULMDGLP-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1ccccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000668792041 487545069 /nfs/dbraw/zinc/54/50/69/487545069.db2.gz IKABDASULMDGLP-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(CCO)CC1 ZINC000455445093 487530291 /nfs/dbraw/zinc/53/02/91/487530291.db2.gz RCWFXISBZZJLMX-UHFFFAOYSA-N 1 2 249.314 1.735 20 0 BDADLO CCc1cc(NC[C@@H]2C[C@H]2C2CC2)nc[nH+]1 ZINC000382106181 487530405 /nfs/dbraw/zinc/53/04/05/487530405.db2.gz INBLQGZBZCXIQC-JQWIXIFHSA-N 1 2 217.316 1.919 20 0 BDADLO CCc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)s1 ZINC000668791389 487545509 /nfs/dbraw/zinc/54/55/09/487545509.db2.gz KAMLMRQBRVVZJK-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO CCc1ccc(C[N@H+]2CCc3nn[nH]c3C2)s1 ZINC000668791389 487545512 /nfs/dbraw/zinc/54/55/12/487545512.db2.gz KAMLMRQBRVVZJK-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO C[C@H]1CC=C(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000334726692 487545673 /nfs/dbraw/zinc/54/56/73/487545673.db2.gz RMCNGHOJJKEQDA-JTQLQIEISA-N 1 2 233.315 1.783 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000685566923 487549061 /nfs/dbraw/zinc/54/90/61/487549061.db2.gz QTSQUYDTMNNMGO-UWVGGRQHSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000685566923 487549063 /nfs/dbraw/zinc/54/90/63/487549063.db2.gz QTSQUYDTMNNMGO-UWVGGRQHSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000685570048 487551344 /nfs/dbraw/zinc/55/13/44/487551344.db2.gz FVYHVNNWIWYAAN-GFCCVEGCSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000685570048 487551347 /nfs/dbraw/zinc/55/13/47/487551347.db2.gz FVYHVNNWIWYAAN-GFCCVEGCSA-N 1 2 236.315 1.902 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766731 487552254 /nfs/dbraw/zinc/55/22/54/487552254.db2.gz ADKYAGWFEJSBIB-MWLCHTKSSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766731 487552258 /nfs/dbraw/zinc/55/22/58/487552258.db2.gz ADKYAGWFEJSBIB-MWLCHTKSSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766731 487552261 /nfs/dbraw/zinc/55/22/61/487552261.db2.gz ADKYAGWFEJSBIB-MWLCHTKSSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766731 487552264 /nfs/dbraw/zinc/55/22/64/487552264.db2.gz ADKYAGWFEJSBIB-MWLCHTKSSA-N 1 2 221.304 1.335 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccn(C)c2)c1 ZINC000680256666 487553294 /nfs/dbraw/zinc/55/32/94/487553294.db2.gz KYPGKFXMOHTYNG-UHFFFAOYSA-N 1 2 244.298 1.738 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000668786526 487531510 /nfs/dbraw/zinc/53/15/10/487531510.db2.gz CDGCVUWOMRAKOR-SKDRFNHKSA-N 1 2 249.339 1.750 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1cscn1 ZINC000680071773 487532207 /nfs/dbraw/zinc/53/22/07/487532207.db2.gz BFQOZSGXBCKUNR-SECBINFHSA-N 1 2 230.358 1.053 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1cscn1 ZINC000680071773 487532210 /nfs/dbraw/zinc/53/22/10/487532210.db2.gz BFQOZSGXBCKUNR-SECBINFHSA-N 1 2 230.358 1.053 20 0 BDADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)s1 ZINC000061468576 487475797 /nfs/dbraw/zinc/47/57/97/487475797.db2.gz SAFALKAALRRRSG-UHFFFAOYSA-N 1 2 238.356 1.753 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1C[C@@H]1C)CC2 ZINC000679892500 487481556 /nfs/dbraw/zinc/48/15/56/487481556.db2.gz ZDRRQRSHKUFAKQ-GXSJLCMTSA-N 1 2 248.330 1.373 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC1CC(C)C1)CC2 ZINC000679895394 487482493 /nfs/dbraw/zinc/48/24/93/487482493.db2.gz HKPHWQOGZUOYCI-UHFFFAOYSA-N 1 2 248.330 1.515 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC[C@H](C)C1)CC2 ZINC000679894460 487482772 /nfs/dbraw/zinc/48/27/72/487482772.db2.gz XSKQYVISDHWIOS-JQWIXIFHSA-N 1 2 247.342 1.970 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccn(C)c1C ZINC000684970304 487477681 /nfs/dbraw/zinc/47/76/81/487477681.db2.gz XGDJJYHUQAZGAU-UHFFFAOYSA-N 1 2 243.310 1.965 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@H]1CCCOC1)CC2 ZINC000679867459 487477795 /nfs/dbraw/zinc/47/77/95/487477795.db2.gz BIGOXYNPFLQEEN-NSHDSACASA-N 1 2 221.304 1.186 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@H]1CCCOC1)CC2 ZINC000679867459 487477798 /nfs/dbraw/zinc/47/77/98/487477798.db2.gz BIGOXYNPFLQEEN-NSHDSACASA-N 1 2 221.304 1.186 20 0 BDADLO O=C(CCc1cscn1)NCc1c[nH+]c[nH]1 ZINC000673916296 487478004 /nfs/dbraw/zinc/47/80/04/487478004.db2.gz YSJVMDOITBDLHZ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO O=C(CCc1cscn1)NCc1c[nH]c[nH+]1 ZINC000673916296 487478006 /nfs/dbraw/zinc/47/80/06/487478006.db2.gz YSJVMDOITBDLHZ-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCN(C)C2=O)cc[nH+]1 ZINC000294960401 487479423 /nfs/dbraw/zinc/47/94/23/487479423.db2.gz OZGJKFVQYUBSJK-NSHDSACASA-N 1 2 247.298 1.197 20 0 BDADLO CN(CC(F)F)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668225829 487485812 /nfs/dbraw/zinc/48/58/12/487485812.db2.gz XIIXFNUAXHKPOD-ZETCQYMHSA-N 1 2 243.257 1.238 20 0 BDADLO CN(CC(F)F)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668225829 487485819 /nfs/dbraw/zinc/48/58/19/487485819.db2.gz XIIXFNUAXHKPOD-ZETCQYMHSA-N 1 2 243.257 1.238 20 0 BDADLO FCCn1ncnc1C[NH+]1C2CCC1CC2 ZINC000685034361 487493323 /nfs/dbraw/zinc/49/33/23/487493323.db2.gz HTBNJPRARAUQIM-UHFFFAOYSA-N 1 2 224.283 1.374 20 0 BDADLO CC(C)c1nc(NCc2nnc(N)o2)cc[nH+]1 ZINC000685260550 487505686 /nfs/dbraw/zinc/50/56/86/487505686.db2.gz SFXJDPHYJBRFNA-UHFFFAOYSA-N 1 2 234.263 1.177 20 0 BDADLO Cc1nc(NC(=O)N(C)Cc2[nH]cc[nH+]2)oc1C ZINC000670859304 487513587 /nfs/dbraw/zinc/51/35/87/487513587.db2.gz ADQDCIPNECVZRT-UHFFFAOYSA-N 1 2 249.274 1.678 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ncccc1O ZINC000685417619 487518278 /nfs/dbraw/zinc/51/82/78/487518278.db2.gz OHCRJIMJXCCOBE-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ncccc1O ZINC000685417619 487518281 /nfs/dbraw/zinc/51/82/81/487518281.db2.gz OHCRJIMJXCCOBE-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO c1c(C[NH+]2CC3(CC3)C2)nc2ncccn12 ZINC000334518037 487520509 /nfs/dbraw/zinc/52/05/09/487520509.db2.gz OZZQRTRDQQPHOD-UHFFFAOYSA-N 1 2 214.272 1.325 20 0 BDADLO c1cc([C@H]2CCCC[N@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000685438157 487523295 /nfs/dbraw/zinc/52/32/95/487523295.db2.gz RQHDBMYTNUYCOV-GFCCVEGCSA-N 1 2 231.303 1.860 20 0 BDADLO c1cc([C@H]2CCCC[N@@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000685438157 487523298 /nfs/dbraw/zinc/52/32/98/487523298.db2.gz RQHDBMYTNUYCOV-GFCCVEGCSA-N 1 2 231.303 1.860 20 0 BDADLO FC(F)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000680085893 487534795 /nfs/dbraw/zinc/53/47/95/487534795.db2.gz UUSASERLPWDYDW-JTQLQIEISA-N 1 2 219.275 2.000 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000527005029 487567629 /nfs/dbraw/zinc/56/76/29/487567629.db2.gz UQHMROHQQIWETQ-UTUOFQBUSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000527005029 487567627 /nfs/dbraw/zinc/56/76/27/487567627.db2.gz UQHMROHQQIWETQ-UTUOFQBUSA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)[C@H](C)CO1 ZINC000651405583 487728686 /nfs/dbraw/zinc/72/86/86/487728686.db2.gz UDSOWYVMGRXXLN-GHMZBOCLSA-N 1 2 221.304 1.789 20 0 BDADLO C[C@H]1COCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000676492401 487856926 /nfs/dbraw/zinc/85/69/26/487856926.db2.gz NTQDRBDHQHXISB-JTQLQIEISA-N 1 2 233.315 1.969 20 0 BDADLO Cc1cc(-n2cnc(CCCO)c2)nc(C)[nH+]1 ZINC000681980072 487875161 /nfs/dbraw/zinc/87/51/61/487875161.db2.gz WQLPCMGSULGVCB-UHFFFAOYSA-N 1 2 232.287 1.204 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1F ZINC000684473811 487919401 /nfs/dbraw/zinc/91/94/01/487919401.db2.gz VGSGHMTZACIDEK-ONGXEEELSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1F ZINC000684473811 487919407 /nfs/dbraw/zinc/91/94/07/487919407.db2.gz VGSGHMTZACIDEK-ONGXEEELSA-N 1 2 239.294 1.549 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682473492 487969105 /nfs/dbraw/zinc/96/91/05/487969105.db2.gz FAYUVYDLRXORKG-SNVBAGLBSA-N 1 2 235.331 1.608 20 0 BDADLO CCC(C)(C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667253558 487974394 /nfs/dbraw/zinc/97/43/94/487974394.db2.gz HBFDJMVLFBWYFB-VIFPVBQESA-N 1 2 238.335 1.969 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000682515987 487974342 /nfs/dbraw/zinc/97/43/42/487974342.db2.gz BOCJRAQWNVREOQ-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)C1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000677122919 487976180 /nfs/dbraw/zinc/97/61/80/487976180.db2.gz WZNDFZMNXWZERG-NSHDSACASA-N 1 2 247.342 1.560 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](C2CC2)C1 ZINC000677877008 488144534 /nfs/dbraw/zinc/14/45/34/488144534.db2.gz DMXWEUYKHDOZBX-ZDUSSCGKSA-N 1 2 247.342 1.922 20 0 BDADLO OCCCOC1CC[NH+](Cc2cocn2)CC1 ZINC000683352024 488151512 /nfs/dbraw/zinc/15/15/12/488151512.db2.gz VTUJNATYNWFJKZ-UHFFFAOYSA-N 1 2 240.303 1.038 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ccco2)nn1 ZINC000404404790 488156485 /nfs/dbraw/zinc/15/64/85/488156485.db2.gz CKAAAQWXFPZVDU-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cncc(F)c2)nn1 ZINC000404444995 488161043 /nfs/dbraw/zinc/16/10/43/488161043.db2.gz NBWIHKMWCCJGIJ-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO CN(Cc1ccsc1)C(=O)Cc1c[nH+]cn1C ZINC000681550573 488166858 /nfs/dbraw/zinc/16/68/58/488166858.db2.gz IFKBILHUSURGCY-UHFFFAOYSA-N 1 2 249.339 1.683 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cn(CC)nn1 ZINC000404516203 488166947 /nfs/dbraw/zinc/16/69/47/488166947.db2.gz VVSVZVSESONSPN-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccco2)nn1 ZINC000404514546 488167233 /nfs/dbraw/zinc/16/72/33/488167233.db2.gz UNEDOKTWEZVRJT-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000665970944 488179323 /nfs/dbraw/zinc/17/93/23/488179323.db2.gz IYQJCRZPFDNRBD-VIFPVBQESA-N 1 2 233.315 1.526 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000665970944 488179327 /nfs/dbraw/zinc/17/93/27/488179327.db2.gz IYQJCRZPFDNRBD-VIFPVBQESA-N 1 2 233.315 1.526 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C(C)(F)F ZINC000627372184 488182638 /nfs/dbraw/zinc/18/26/38/488182638.db2.gz FXDNQZQBOSJTNH-ZETCQYMHSA-N 1 2 243.257 1.586 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C(C)(F)F ZINC000627372184 488182642 /nfs/dbraw/zinc/18/26/42/488182642.db2.gz FXDNQZQBOSJTNH-ZETCQYMHSA-N 1 2 243.257 1.586 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1ncc[nH]1 ZINC000678053630 488188286 /nfs/dbraw/zinc/18/82/86/488188286.db2.gz NXWNPGIVXCUGHU-UHFFFAOYSA-N 1 2 234.303 1.689 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1ncc[nH]1 ZINC000678053630 488188288 /nfs/dbraw/zinc/18/82/88/488188288.db2.gz NXWNPGIVXCUGHU-UHFFFAOYSA-N 1 2 234.303 1.689 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1nccs1 ZINC000683555277 488193930 /nfs/dbraw/zinc/19/39/30/488193930.db2.gz CCTMRNPQBUAHHP-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](CO)CC1CC1 ZINC000678096545 488197484 /nfs/dbraw/zinc/19/74/84/488197484.db2.gz JDXXOZGIPLWROD-NSHDSACASA-N 1 2 249.314 1.094 20 0 BDADLO Cc1cccc(-c2noc(Cn3cc[nH+]c3)n2)n1 ZINC000683579804 488200757 /nfs/dbraw/zinc/20/07/57/488200757.db2.gz AIWHZACBBDIBQL-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1NC(=O)[C@H]2C[C@@H](C)CCN21 ZINC000668121817 488206428 /nfs/dbraw/zinc/20/64/28/488206428.db2.gz PTSRTBYKCIEQNY-HOSYDEDBSA-N 1 2 248.330 1.132 20 0 BDADLO Cc1cn2ccc(NC(=O)N[C@@H](C)CO)cc2[nH+]1 ZINC000668150991 488210128 /nfs/dbraw/zinc/21/01/28/488210128.db2.gz NWSKBDDQEOTEEP-VIFPVBQESA-N 1 2 248.286 1.145 20 0 BDADLO CCc1cc(NC(=O)NCc2[nH]cc[nH+]2)no1 ZINC000678185035 488214706 /nfs/dbraw/zinc/21/47/06/488214706.db2.gz HCOXMQCEKLCCKJ-UHFFFAOYSA-N 1 2 235.247 1.282 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC1(C)C ZINC000668193607 488218862 /nfs/dbraw/zinc/21/88/62/488218862.db2.gz JWLDFIZLBRTBDQ-VIFPVBQESA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231651442 488219179 /nfs/dbraw/zinc/21/91/79/488219179.db2.gz OQYNMKFVZSGTCB-WPRPVWTQSA-N 1 2 239.319 1.376 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC1(C)C ZINC000668193606 488220079 /nfs/dbraw/zinc/22/00/79/488220079.db2.gz JWLDFIZLBRTBDQ-SECBINFHSA-N 1 2 221.304 1.473 20 0 BDADLO CC(F)(F)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668194462 488220798 /nfs/dbraw/zinc/22/07/98/488220798.db2.gz JFMYWPPUQJAGTH-RKDXNWHRSA-N 1 2 205.248 1.799 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCOC(C)(C)C ZINC000683783746 488221302 /nfs/dbraw/zinc/22/13/02/488221302.db2.gz VOKXVPBYTDLUCS-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cn[nH]c1 ZINC000678237012 488223514 /nfs/dbraw/zinc/22/35/14/488223514.db2.gz BQFHZLFCIAEHRY-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678237012 488223518 /nfs/dbraw/zinc/22/35/18/488223518.db2.gz BQFHZLFCIAEHRY-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(Cc2cocn2)CC1(C)C ZINC000668205703 488224201 /nfs/dbraw/zinc/22/42/01/488224201.db2.gz WDGZEKKEXOMEPC-NSHDSACASA-N 1 2 246.314 1.991 20 0 BDADLO COCc1ccc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000678267956 488230867 /nfs/dbraw/zinc/23/08/67/488230867.db2.gz UAGKDOIZGAYHGW-UHFFFAOYSA-N 1 2 235.287 1.781 20 0 BDADLO COCc1ccc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000678267956 488230869 /nfs/dbraw/zinc/23/08/69/488230869.db2.gz UAGKDOIZGAYHGW-UHFFFAOYSA-N 1 2 235.287 1.781 20 0 BDADLO C[C@@H]1CN(Cc2cn(C)c[nH+]2)[C@@H](C)CO1 ZINC000683897113 488233789 /nfs/dbraw/zinc/23/37/89/488233789.db2.gz MYZXQCBKKXRZHF-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000683897113 488233791 /nfs/dbraw/zinc/23/37/91/488233791.db2.gz MYZXQCBKKXRZHF-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](C)CO1 ZINC000683897113 488233794 /nfs/dbraw/zinc/23/37/94/488233794.db2.gz MYZXQCBKKXRZHF-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678275721 488235654 /nfs/dbraw/zinc/23/56/54/488235654.db2.gz AJBVDJJHWMXALN-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678275721 488235656 /nfs/dbraw/zinc/23/56/56/488235656.db2.gz AJBVDJJHWMXALN-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000678281142 488236373 /nfs/dbraw/zinc/23/63/73/488236373.db2.gz MNBWVYWTFOMJLU-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000678281142 488236375 /nfs/dbraw/zinc/23/63/75/488236375.db2.gz MNBWVYWTFOMJLU-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccnc1 ZINC000672148166 488240672 /nfs/dbraw/zinc/24/06/72/488240672.db2.gz GJRDENFOKHNHJG-LLVKDONJSA-N 1 2 242.282 1.023 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cscn1 ZINC000672147712 488240927 /nfs/dbraw/zinc/24/09/27/488240927.db2.gz UUHJFXOLICSBIK-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000672154130 488242499 /nfs/dbraw/zinc/24/24/99/488242499.db2.gz IMTDTENTZDBQAT-LBPRGKRZSA-N 1 2 241.294 1.628 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC=CCC1 ZINC000672156849 488242733 /nfs/dbraw/zinc/24/27/33/488242733.db2.gz VTPJHLUWXOQEMT-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2nccs2)[C@H](C)C1 ZINC000672190369 488243966 /nfs/dbraw/zinc/24/39/66/488243966.db2.gz QRHXETDICIQGGB-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2nccs2)[C@H](C)C1 ZINC000672190369 488243968 /nfs/dbraw/zinc/24/39/68/488243968.db2.gz QRHXETDICIQGGB-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CO[C@]1(CNc2cc3cc[nH]c3c[nH+]2)CCOC1 ZINC000672251076 488248136 /nfs/dbraw/zinc/24/81/36/488248136.db2.gz CMYBHPUVWYEFJK-ZDUSSCGKSA-N 1 2 247.298 1.780 20 0 BDADLO CCO[C@H]1CCC[N@@H+]([C@H](C)c2nncn2C)C1 ZINC000672543955 488258846 /nfs/dbraw/zinc/25/88/46/488258846.db2.gz DQMQCKUKPFMWMH-MNOVXSKESA-N 1 2 238.335 1.377 20 0 BDADLO CCO[C@H]1CCC[N@H+]([C@H](C)c2nncn2C)C1 ZINC000672543955 488258849 /nfs/dbraw/zinc/25/88/49/488258849.db2.gz DQMQCKUKPFMWMH-MNOVXSKESA-N 1 2 238.335 1.377 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@H](C)c1nc(C)no1 ZINC000678478628 488259499 /nfs/dbraw/zinc/25/94/99/488259499.db2.gz MVVYLPALYSZDBM-MRVPVSSYSA-N 1 2 249.318 1.525 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000672551961 488259551 /nfs/dbraw/zinc/25/95/51/488259551.db2.gz CUWTWDHTEQATSZ-YUMQZZPRSA-N 1 2 230.262 1.463 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000672551961 488259554 /nfs/dbraw/zinc/25/95/54/488259554.db2.gz CUWTWDHTEQATSZ-YUMQZZPRSA-N 1 2 230.262 1.463 20 0 BDADLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000684080771 488261411 /nfs/dbraw/zinc/26/14/11/488261411.db2.gz DVFHFHLWHSTTCI-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO CC1(C)CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000684081178 488261444 /nfs/dbraw/zinc/26/14/44/488261444.db2.gz CYYGOWYTIJRKES-UHFFFAOYSA-N 1 2 243.310 1.745 20 0 BDADLO Cc1cc(=O)[nH]c(C=Cc2cn(C)c[nH+]2)n1 ZINC000672776488 488266072 /nfs/dbraw/zinc/26/60/72/488266072.db2.gz QPNOEKQDLWGMIU-ARJAWSKDSA-N 1 2 216.244 1.395 20 0 BDADLO CC[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000672990884 488270687 /nfs/dbraw/zinc/27/06/87/488270687.db2.gz VHAZVEARYZTWDF-ZYHUDNBSSA-N 1 2 235.331 1.658 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@](C)(OC)C2)n1 ZINC000684208214 488275240 /nfs/dbraw/zinc/27/52/40/488275240.db2.gz CXSOTGREDXGKRG-LBPRGKRZSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@](C)(OC)C2)n1 ZINC000684208214 488275243 /nfs/dbraw/zinc/27/52/43/488275243.db2.gz CXSOTGREDXGKRG-LBPRGKRZSA-N 1 2 239.319 1.633 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000673093581 488276611 /nfs/dbraw/zinc/27/66/11/488276611.db2.gz GXOWYVDPCMPKPN-JQWIXIFHSA-N 1 2 233.315 1.364 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000673093580 488276711 /nfs/dbraw/zinc/27/67/11/488276711.db2.gz GXOWYVDPCMPKPN-CMPLNLGQSA-N 1 2 233.315 1.364 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cc2c(nn1)CCC2 ZINC000678708531 488276717 /nfs/dbraw/zinc/27/67/17/488276717.db2.gz XSIKJLOWTYNHDO-SNVBAGLBSA-N 1 2 243.314 1.662 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1cc2c(nn1)CCC2 ZINC000678708530 488276913 /nfs/dbraw/zinc/27/69/13/488276913.db2.gz XSIKJLOWTYNHDO-JTQLQIEISA-N 1 2 243.314 1.662 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[C@@H]1C)CC2 ZINC000673179948 488278290 /nfs/dbraw/zinc/27/82/90/488278290.db2.gz JGNKHDXUDAJNHD-GXSJLCMTSA-N 1 2 248.330 1.515 20 0 BDADLO CC(C)(O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684281593 488285647 /nfs/dbraw/zinc/28/56/47/488285647.db2.gz IUAWGHKQDAAIQQ-UHFFFAOYSA-N 1 2 233.271 1.434 20 0 BDADLO Cc1cc(NCC2([C@H](O)C(C)C)CC2)nc[nH+]1 ZINC000678830836 488288853 /nfs/dbraw/zinc/28/88/53/488288853.db2.gz ZNTOHJCKCQQFBE-GFCCVEGCSA-N 1 2 235.331 1.994 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1ccon1 ZINC000673602794 488296778 /nfs/dbraw/zinc/29/67/78/488296778.db2.gz FMFAHWRTPWYIQF-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC=CCC1 ZINC000679323148 488336372 /nfs/dbraw/zinc/33/63/72/488336372.db2.gz KIVFEURLFTUMNY-GFCCVEGCSA-N 1 2 234.274 1.614 20 0 BDADLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC=CCC1 ZINC000679323148 488336373 /nfs/dbraw/zinc/33/63/73/488336373.db2.gz KIVFEURLFTUMNY-GFCCVEGCSA-N 1 2 234.274 1.614 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1Cc2ccccc21 ZINC000673643467 488299949 /nfs/dbraw/zinc/29/99/49/488299949.db2.gz RRDAZUVLHSOQTN-GFCCVEGCSA-N 1 2 241.294 1.339 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCn1cccc1 ZINC000673665212 488301436 /nfs/dbraw/zinc/30/14/36/488301436.db2.gz WLHSKFHQJFGOQB-UHFFFAOYSA-N 1 2 232.287 1.260 20 0 BDADLO c1n[nH]cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000673696676 488304903 /nfs/dbraw/zinc/30/49/03/488304903.db2.gz YUMJCKIFYDVJKS-UHFFFAOYSA-N 1 2 232.287 1.566 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1Cc2ccc(F)cc21 ZINC000684439702 488313341 /nfs/dbraw/zinc/31/33/41/488313341.db2.gz CXSMUIPNJMGAGV-LLVKDONJSA-N 1 2 245.257 1.505 20 0 BDADLO COCc1noc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000679151429 488313897 /nfs/dbraw/zinc/31/38/97/488313897.db2.gz JWMGOZQPJRNXBV-ZETCQYMHSA-N 1 2 247.245 1.303 20 0 BDADLO COCc1noc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000679151429 488313900 /nfs/dbraw/zinc/31/39/00/488313900.db2.gz JWMGOZQPJRNXBV-ZETCQYMHSA-N 1 2 247.245 1.303 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222703 488320612 /nfs/dbraw/zinc/32/06/12/488320612.db2.gz JSYCXVAJTWQWON-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222703 488320614 /nfs/dbraw/zinc/32/06/14/488320614.db2.gz JSYCXVAJTWQWON-ZJUUUORDSA-N 1 2 216.300 1.191 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)nn1C ZINC000679226857 488322479 /nfs/dbraw/zinc/32/24/79/488322479.db2.gz VVLRLNWQOFMTGP-CABZTGNLSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)nn1C ZINC000679226857 488322480 /nfs/dbraw/zinc/32/24/80/488322480.db2.gz VVLRLNWQOFMTGP-CABZTGNLSA-N 1 2 225.311 1.908 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679228630 488322802 /nfs/dbraw/zinc/32/28/02/488322802.db2.gz YKHJOCSUGKKUFE-WDEREUQCSA-N 1 2 230.327 1.535 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679228630 488322805 /nfs/dbraw/zinc/32/28/05/488322805.db2.gz YKHJOCSUGKKUFE-WDEREUQCSA-N 1 2 230.327 1.535 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679228629 488322865 /nfs/dbraw/zinc/32/28/65/488322865.db2.gz YKHJOCSUGKKUFE-QWRGUYRKSA-N 1 2 230.327 1.535 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC=CCC1 ZINC000679272652 488327630 /nfs/dbraw/zinc/32/76/30/488327630.db2.gz XXDSWZLSUGNTNM-NSHDSACASA-N 1 2 234.303 1.243 20 0 BDADLO Cc1nc(N2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000679279733 488328306 /nfs/dbraw/zinc/32/83/06/488328306.db2.gz GGOWLFGGFTWJFP-UHFFFAOYSA-N 1 2 219.292 1.012 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC=CCC2)[nH+]1 ZINC000679279733 488328308 /nfs/dbraw/zinc/32/83/08/488328308.db2.gz GGOWLFGGFTWJFP-UHFFFAOYSA-N 1 2 219.292 1.012 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000684802326 488344250 /nfs/dbraw/zinc/34/42/50/488344250.db2.gz DRUWOACZSAZZSX-GHMZBOCLSA-N 1 2 221.304 1.578 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2c[nH]nc2C)[nH]1 ZINC000679360712 488346342 /nfs/dbraw/zinc/34/63/42/488346342.db2.gz QAAZPZZYBYCTPJ-CBAPKCEASA-N 1 2 248.334 1.810 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cncc(F)c1 ZINC000684938132 488354005 /nfs/dbraw/zinc/35/40/05/488354005.db2.gz JOWMVDVNROBTCN-UHFFFAOYSA-N 1 2 248.261 1.836 20 0 BDADLO CCc1cc(-n2cnc(CCCO)c2)nc(C)[nH+]1 ZINC000679838153 488367560 /nfs/dbraw/zinc/36/75/60/488367560.db2.gz LCFKJSFPXDVKON-UHFFFAOYSA-N 1 2 246.314 1.458 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC=CCC2)on1 ZINC000679322229 490113455 /nfs/dbraw/zinc/11/34/55/490113455.db2.gz WNHNGAFDDDBYBO-SNVBAGLBSA-N 1 2 235.287 1.572 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC=CCC2)on1 ZINC000679322229 490113460 /nfs/dbraw/zinc/11/34/60/490113460.db2.gz WNHNGAFDDDBYBO-SNVBAGLBSA-N 1 2 235.287 1.572 20 0 BDADLO CC[C@H](NCC[N@H+]1CC=CCC1)c1nccn1C ZINC000359058525 490126547 /nfs/dbraw/zinc/12/65/47/490126547.db2.gz UIVZGVNKGYTRBG-ZDUSSCGKSA-N 1 2 248.374 1.723 20 0 BDADLO CC[C@H](NCC[N@@H+]1CC=CCC1)c1nccn1C ZINC000359058525 490126552 /nfs/dbraw/zinc/12/65/52/490126552.db2.gz UIVZGVNKGYTRBG-ZDUSSCGKSA-N 1 2 248.374 1.723 20 0 BDADLO COC1(C)C[NH+](Cc2ccncc2C)C1 ZINC000334511610 490127164 /nfs/dbraw/zinc/12/71/64/490127164.db2.gz NSNJXPBDPZDARY-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)no1 ZINC000661699473 490178318 /nfs/dbraw/zinc/17/83/18/490178318.db2.gz IBEQEWVOQCQOCS-BXKDBHETSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)no1 ZINC000661699473 490178322 /nfs/dbraw/zinc/17/83/22/490178322.db2.gz IBEQEWVOQCQOCS-BXKDBHETSA-N 1 2 237.303 1.100 20 0 BDADLO CC(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000044912663 490188580 /nfs/dbraw/zinc/18/85/80/490188580.db2.gz CUJBINDRPXMDLR-UHFFFAOYSA-N 1 2 244.298 1.540 20 0 BDADLO COCc1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000049672088 490195317 /nfs/dbraw/zinc/19/53/17/490195317.db2.gz BZQROCLBMBADQY-LLVKDONJSA-N 1 2 245.282 1.603 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C)C2(CCC2)CO1 ZINC000649822117 490205445 /nfs/dbraw/zinc/20/54/45/490205445.db2.gz YVKWGTIENXRXIW-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C)C2(CCC2)CO1 ZINC000649822117 490205439 /nfs/dbraw/zinc/20/54/39/490205439.db2.gz YVKWGTIENXRXIW-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046887583 490229458 /nfs/dbraw/zinc/22/94/58/490229458.db2.gz QBCISPUDTJHMPL-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000125239989 490254403 /nfs/dbraw/zinc/25/44/03/490254403.db2.gz AMLDNDWOGGIZGI-MRVPVSSYSA-N 1 2 203.249 1.681 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679222827 490258799 /nfs/dbraw/zinc/25/87/99/490258799.db2.gz JMNVEUDZSRDRNI-GARJFASQSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679222827 490258804 /nfs/dbraw/zinc/25/88/04/490258804.db2.gz JMNVEUDZSRDRNI-GARJFASQSA-N 1 2 230.327 1.581 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C2CCC2)C1 ZINC000666075450 490265908 /nfs/dbraw/zinc/26/59/08/490265908.db2.gz FBYYXYNUMZHIIE-LBPRGKRZSA-N 1 2 247.342 1.909 20 0 BDADLO CC(=O)N[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000078230773 490328359 /nfs/dbraw/zinc/32/83/59/490328359.db2.gz YAXFYIWVERGFMM-GFCCVEGCSA-N 1 2 249.314 1.489 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725029 490458679 /nfs/dbraw/zinc/45/86/79/490458679.db2.gz XQRPDMMZMRRTAU-ZJUUUORDSA-N 1 2 233.315 1.766 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cn1 ZINC000661166991 490496737 /nfs/dbraw/zinc/49/67/37/490496737.db2.gz DRMWXLLOOMEREX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cn1 ZINC000661166991 490496740 /nfs/dbraw/zinc/49/67/40/490496740.db2.gz DRMWXLLOOMEREX-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nccnc3C2)o1 ZINC000668735855 490570635 /nfs/dbraw/zinc/57/06/35/490570635.db2.gz PWDWDNCLJABKCW-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nccnc3C2)o1 ZINC000668735855 490570641 /nfs/dbraw/zinc/57/06/41/490570641.db2.gz PWDWDNCLJABKCW-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CC1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC000080043247 490619910 /nfs/dbraw/zinc/61/99/10/490619910.db2.gz PZCHCFRVTUFAEW-UHFFFAOYSA-N 1 2 221.304 1.578 20 0 BDADLO FC1(F)CCC[C@H]1NCc1[nH]cc[nH+]1 ZINC000306923897 490649381 /nfs/dbraw/zinc/64/93/81/490649381.db2.gz HIHCULPRMVTNKQ-SSDOTTSWSA-N 1 2 201.220 1.687 20 0 BDADLO CCN(CCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000653864736 491083067 /nfs/dbraw/zinc/08/30/67/491083067.db2.gz RCKLTNUJRGZZCP-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO COc1ccc(NCc2cnn(C)c2)[nH+]c1 ZINC000225893812 491097070 /nfs/dbraw/zinc/09/70/70/491097070.db2.gz ZBEFQTGLZYLRNM-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO COC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000129504960 491113403 /nfs/dbraw/zinc/11/34/03/491113403.db2.gz VZSHPUWJXPLKDM-JTQLQIEISA-N 1 2 247.302 1.200 20 0 BDADLO CCc1cc(NCc2cnn(C)c2C)nc[nH+]1 ZINC000230145197 491127771 /nfs/dbraw/zinc/12/77/71/491127771.db2.gz AKDRXWYCUVVONJ-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO CCc1cnc(CN[C@@H]2CCC[N@H+](C)C2)s1 ZINC000230142195 491127780 /nfs/dbraw/zinc/12/77/80/491127780.db2.gz OJDLEVVCVORMKQ-SNVBAGLBSA-N 1 2 239.388 1.889 20 0 BDADLO CCc1cnc(CN[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000230142195 491127781 /nfs/dbraw/zinc/12/77/81/491127781.db2.gz OJDLEVVCVORMKQ-SNVBAGLBSA-N 1 2 239.388 1.889 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ncc[nH]1 ZINC000138954126 491129809 /nfs/dbraw/zinc/12/98/09/491129809.db2.gz XCRMWFYJADHTHD-SECBINFHSA-N 1 2 245.282 1.989 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1scnc1C1CC1 ZINC000425969965 491130675 /nfs/dbraw/zinc/13/06/75/491130675.db2.gz YFNJUHVNJOOZBU-UHFFFAOYSA-N 1 2 239.344 1.328 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1scnc1C1CC1 ZINC000425969965 491130676 /nfs/dbraw/zinc/13/06/76/491130676.db2.gz YFNJUHVNJOOZBU-UHFFFAOYSA-N 1 2 239.344 1.328 20 0 BDADLO C[C@@H](c1ccccn1)N(C)Cc1[nH]cc[nH+]1 ZINC000091701807 491131529 /nfs/dbraw/zinc/13/15/29/491131529.db2.gz HZAIHPRPFWXDMK-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO CCc1noc(CN(C)CCCn2cc[nH+]c2)n1 ZINC000124421278 491131855 /nfs/dbraw/zinc/13/18/55/491131855.db2.gz NCLGRRLOAGBOME-UHFFFAOYSA-N 1 2 249.318 1.351 20 0 BDADLO CCc1noc(C[N@H+](C)CCCn2ccnc2)n1 ZINC000124421278 491131856 /nfs/dbraw/zinc/13/18/56/491131856.db2.gz NCLGRRLOAGBOME-UHFFFAOYSA-N 1 2 249.318 1.351 20 0 BDADLO CCc1noc(C[N@@H+](C)CCCn2ccnc2)n1 ZINC000124421278 491131857 /nfs/dbraw/zinc/13/18/57/491131857.db2.gz NCLGRRLOAGBOME-UHFFFAOYSA-N 1 2 249.318 1.351 20 0 BDADLO COCc1n[nH]c(CNc2cccc(C)[nH+]2)n1 ZINC000664278784 491136437 /nfs/dbraw/zinc/13/64/37/491136437.db2.gz UNLPWUVXGBNIIX-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO COCc1nc(CNc2cccc(C)[nH+]2)n[nH]1 ZINC000664278784 491136438 /nfs/dbraw/zinc/13/64/38/491136438.db2.gz UNLPWUVXGBNIIX-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ccoc1C ZINC000309081912 491144431 /nfs/dbraw/zinc/14/44/31/491144431.db2.gz QYCMLWPIYIAOGG-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccoc1C ZINC000309081912 491144432 /nfs/dbraw/zinc/14/44/32/491144432.db2.gz QYCMLWPIYIAOGG-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO CCc1cc(NCC(C)(C)OCCO)nc[nH+]1 ZINC000310315753 491161034 /nfs/dbraw/zinc/16/10/34/491161034.db2.gz VBGIZYHCNKXWRF-UHFFFAOYSA-N 1 2 239.319 1.238 20 0 BDADLO CCc1cc(NCCOC(C)C)nc[nH+]1 ZINC000134062889 491161776 /nfs/dbraw/zinc/16/17/76/491161776.db2.gz SDAHIVZHIGWWJF-UHFFFAOYSA-N 1 2 209.293 1.876 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000844446541 582588326 /nfs/dbraw/zinc/58/83/26/582588326.db2.gz IPVMPLGCESGOCH-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000844446541 582588327 /nfs/dbraw/zinc/58/83/27/582588327.db2.gz IPVMPLGCESGOCH-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC/C=C\Cl)c[nH+]1 ZINC000891197183 582623520 /nfs/dbraw/zinc/62/35/20/582623520.db2.gz GUAXBJFNGXGXKF-PLNGDYQASA-N 1 2 241.722 1.795 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492894192 533887796 /nfs/dbraw/zinc/88/77/96/533887796.db2.gz HDBGEASJJZJUTO-PVTPVBHGSA-N 1 2 233.315 1.975 20 0 BDADLO COC(=O)N1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000496408119 534003992 /nfs/dbraw/zinc/00/39/92/534003992.db2.gz XRGFQYCHPNNOAX-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)C[C@H]1O ZINC000846841058 582667697 /nfs/dbraw/zinc/66/76/97/582667697.db2.gz VYPQYXOMHGJXFX-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO CCCCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000891412633 582680648 /nfs/dbraw/zinc/68/06/48/582680648.db2.gz BQKWXHSFFRQBGG-UHFFFAOYSA-N 1 2 224.308 1.410 20 0 BDADLO c1[nH+]cn2ccnc(N3CCSCC3)c12 ZINC000891879238 582734159 /nfs/dbraw/zinc/73/41/59/582734159.db2.gz ODMSOHMMXSNSLY-UHFFFAOYSA-N 1 2 220.301 1.283 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000308946957 534231603 /nfs/dbraw/zinc/23/16/03/534231603.db2.gz NZTORQZRKANQJZ-OPRDCNLKSA-N 1 2 231.361 1.668 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cc(C)no1)C1CC1 ZINC000507263667 534278016 /nfs/dbraw/zinc/27/80/16/534278016.db2.gz MPKDZYQELXXPHG-NSHDSACASA-N 1 2 238.287 1.067 20 0 BDADLO Cc1cc(N(C)C[C@H](C)O)nc(C2CCC2)[nH+]1 ZINC000892005497 582759777 /nfs/dbraw/zinc/75/97/77/582759777.db2.gz VWPNZARQGSTYMA-JTQLQIEISA-N 1 2 235.331 1.870 20 0 BDADLO Cc1cccc(C[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000391942075 518190481 /nfs/dbraw/zinc/19/04/81/518190481.db2.gz RTDUHZUBPRXPTQ-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1CCC1)C1CC1 ZINC000557844314 518195251 /nfs/dbraw/zinc/19/52/51/518195251.db2.gz BBEPAWPTBHOVHD-NSHDSACASA-N 1 2 248.330 1.723 20 0 BDADLO Cn1nnc(C[NH2+]Cc2ccc3occc3c2)n1 ZINC000552014573 518195858 /nfs/dbraw/zinc/19/58/58/518195858.db2.gz KFNUWQTVAXKGAC-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO Cc1ocnc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492761532 534590363 /nfs/dbraw/zinc/59/03/63/534590363.db2.gz GOGNFXYJAACTGQ-IHWYPQMZSA-N 1 2 232.243 1.036 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(O)c1F ZINC000492861072 534804212 /nfs/dbraw/zinc/80/42/12/534804212.db2.gz JAGZQNNNCUAZHY-PLNGDYQASA-N 1 2 247.229 1.906 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCOCC1 ZINC000492856010 534805081 /nfs/dbraw/zinc/80/50/81/534805081.db2.gz BBUDQXMWQWETGM-XOULXFPDSA-N 1 2 235.287 1.108 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](C/C=C\Cl)CCN12 ZINC000494085476 534814557 /nfs/dbraw/zinc/81/45/57/534814557.db2.gz JOPUGMZXYKYHGM-MBMUTDPPSA-N 1 2 230.695 1.265 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](C/C=C\Cl)CCN12 ZINC000494085476 534814560 /nfs/dbraw/zinc/81/45/60/534814560.db2.gz JOPUGMZXYKYHGM-MBMUTDPPSA-N 1 2 230.695 1.265 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC1 ZINC000173901214 534914217 /nfs/dbraw/zinc/91/42/17/534914217.db2.gz QZTFBVNKERLXLK-UHFFFAOYSA-N 1 2 236.319 1.501 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)c1ccsc1 ZINC000892546350 582909905 /nfs/dbraw/zinc/90/99/05/582909905.db2.gz DOOSAPZYPIKORN-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C/C=C/c1ccncc1 ZINC000494968113 527725637 /nfs/dbraw/zinc/72/56/37/527725637.db2.gz BYPILVFNGGWNCW-BTDICHCPSA-N 1 2 248.326 1.978 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C/C=C/c1ccncc1 ZINC000494968113 527725642 /nfs/dbraw/zinc/72/56/42/527725642.db2.gz BYPILVFNGGWNCW-BTDICHCPSA-N 1 2 248.326 1.978 20 0 BDADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000492904068 527771349 /nfs/dbraw/zinc/77/13/49/527771349.db2.gz VQJBJBSXPIDRLY-ONEGZZNKSA-N 1 2 249.314 1.498 20 0 BDADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492979839 527771381 /nfs/dbraw/zinc/77/13/81/527771381.db2.gz GBQACQVLBQPQRA-PLNGDYQASA-N 1 2 219.288 1.872 20 0 BDADLO CCC1(NC(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493348658 527773160 /nfs/dbraw/zinc/77/31/60/527773160.db2.gz GKVNMIJMMYYWGN-ARJAWSKDSA-N 1 2 205.261 1.482 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493304590 527850974 /nfs/dbraw/zinc/85/09/74/527850974.db2.gz OUUTUSQZRPRSPN-RDJHYZAGSA-N 1 2 219.288 1.728 20 0 BDADLO CCC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492857294 528386811 /nfs/dbraw/zinc/38/68/11/528386811.db2.gz DEMKPDPNTLEOHE-RXNFCKPNSA-N 1 2 249.314 1.450 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813671 528401494 /nfs/dbraw/zinc/40/14/94/528401494.db2.gz QGKLUNXKEHXVEO-WWQCOOJYSA-N 1 2 221.304 1.926 20 0 BDADLO CCO/C=C/C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000492932397 528485010 /nfs/dbraw/zinc/48/50/10/528485010.db2.gz YIRILHYKFVKJNL-BQYQJAHWSA-N 1 2 249.314 1.314 20 0 BDADLO CCO/C=C/C(=O)NCc1ccc[nH+]c1N(C)C ZINC000493264244 528486586 /nfs/dbraw/zinc/48/65/86/528486586.db2.gz USLSGCGZLXYVCN-VQHVLOKHSA-N 1 2 249.314 1.314 20 0 BDADLO CCC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493576028 528507700 /nfs/dbraw/zinc/50/77/00/528507700.db2.gz CXMZNVBNKOYYQF-AATRIKPKSA-N 1 2 221.304 1.975 20 0 BDADLO CCO/C=C\C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000493109614 528509020 /nfs/dbraw/zinc/50/90/20/528509020.db2.gz WVGIWDVWZAIVCD-YHYXMXQVSA-N 1 2 249.314 1.666 20 0 BDADLO CC/C=C/CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493208445 528774656 /nfs/dbraw/zinc/77/46/56/528774656.db2.gz PWSRSUZRGXRIEB-BSWSSELBSA-N 1 2 233.315 1.999 20 0 BDADLO CC/C=C/CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493208448 528775664 /nfs/dbraw/zinc/77/56/64/528775664.db2.gz PWSRSUZRGXRIEB-MDAAKZFYSA-N 1 2 233.315 1.999 20 0 BDADLO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000492842830 528869830 /nfs/dbraw/zinc/86/98/30/528869830.db2.gz ALLZRZQOKVUTRV-ZJUUUORDSA-N 1 2 238.335 1.959 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cnns1 ZINC000400111102 528894044 /nfs/dbraw/zinc/89/40/44/528894044.db2.gz PVVBOAPXVGFDSO-QMMMGPOBSA-N 1 2 243.332 1.312 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cnns1 ZINC000400111102 528894041 /nfs/dbraw/zinc/89/40/41/528894041.db2.gz PVVBOAPXVGFDSO-QMMMGPOBSA-N 1 2 243.332 1.312 20 0 BDADLO CCN(C(=O)/C=C/c1[nH+]ccn1CC)C1COC1 ZINC000493028747 528907501 /nfs/dbraw/zinc/90/75/01/528907501.db2.gz VFRPHCGAQMICRH-AATRIKPKSA-N 1 2 249.314 1.164 20 0 BDADLO CCC(O)(CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493325498 528966134 /nfs/dbraw/zinc/96/61/34/528966134.db2.gz RTNOTBPWJGCPKE-WAYWQWQTSA-N 1 2 237.303 1.090 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000488211935 528980598 /nfs/dbraw/zinc/98/05/98/528980598.db2.gz PMTNLIJBQXQOOB-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493742414 529061013 /nfs/dbraw/zinc/06/10/13/529061013.db2.gz SMRBLCQPJORGMK-ONEGZZNKSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492896493 529259763 /nfs/dbraw/zinc/25/97/63/529259763.db2.gz JGOBKTINPLGZCV-BYCRGOAPSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H]1CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000487552829 529329123 /nfs/dbraw/zinc/32/91/23/529329123.db2.gz YDPSGAYEINLFTM-LLVKDONJSA-N 1 2 236.319 1.467 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@H]2CCCO2)o1 ZINC000171144983 534966138 /nfs/dbraw/zinc/96/61/38/534966138.db2.gz UJYYAZXEXLPNBA-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000171144983 534966143 /nfs/dbraw/zinc/96/61/43/534966143.db2.gz UJYYAZXEXLPNBA-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000335306380 534987435 /nfs/dbraw/zinc/98/74/35/534987435.db2.gz JUHMMPCVXIVRPX-MNOVXSKESA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000335306380 534987433 /nfs/dbraw/zinc/98/74/33/534987433.db2.gz JUHMMPCVXIVRPX-MNOVXSKESA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)CN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000076830237 535008099 /nfs/dbraw/zinc/00/80/99/535008099.db2.gz GATBAAAROAKEFS-UHFFFAOYSA-N 1 2 223.320 1.776 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335844573 535022313 /nfs/dbraw/zinc/02/23/13/535022313.db2.gz CSIWYWHGPHKLHF-LLVKDONJSA-N 1 2 235.331 1.560 20 0 BDADLO CC(C)[NH+](Cc1cc(=O)n2[nH]ccc2n1)C(C)C ZINC000183041255 535086826 /nfs/dbraw/zinc/08/68/26/535086826.db2.gz BHJUPYODXUJJLM-UHFFFAOYSA-N 1 2 248.330 1.641 20 0 BDADLO CCCCc1noc(C[N@H+](CC)C[C@@H](C)O)n1 ZINC000352185144 535118528 /nfs/dbraw/zinc/11/85/28/535118528.db2.gz ABTKKPOPFIQVRT-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](CC)C[C@@H](C)O)n1 ZINC000352185144 535118531 /nfs/dbraw/zinc/11/85/31/535118531.db2.gz ABTKKPOPFIQVRT-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@H+](CC)C[C@H](C)O)n1 ZINC000352185143 535118821 /nfs/dbraw/zinc/11/88/21/535118821.db2.gz ABTKKPOPFIQVRT-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](CC)C[C@H](C)O)n1 ZINC000352185143 535118825 /nfs/dbraw/zinc/11/88/25/535118825.db2.gz ABTKKPOPFIQVRT-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CC1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCCC1 ZINC000263222559 535146923 /nfs/dbraw/zinc/14/69/23/535146923.db2.gz MDUZHKKPXFFWKL-SECBINFHSA-N 1 2 246.301 1.680 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334376146 535199694 /nfs/dbraw/zinc/19/96/94/535199694.db2.gz VIBGDMGMFJKVIG-VXGBXAGGSA-N 1 2 247.342 1.702 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000180409537 535389622 /nfs/dbraw/zinc/38/96/22/535389622.db2.gz PDPLRQQVZDRHRY-UHFFFAOYSA-N 1 2 206.293 1.666 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000180409537 535389626 /nfs/dbraw/zinc/38/96/26/535389626.db2.gz PDPLRQQVZDRHRY-UHFFFAOYSA-N 1 2 206.293 1.666 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)s1)C[C@H](C)O ZINC000352221868 535393429 /nfs/dbraw/zinc/39/34/29/535393429.db2.gz OMKJIYDEWKPACH-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)s1)C[C@H](C)O ZINC000352221868 535393431 /nfs/dbraw/zinc/39/34/31/535393431.db2.gz OMKJIYDEWKPACH-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183749593 535637013 /nfs/dbraw/zinc/63/70/13/535637013.db2.gz BVFWPCCLCVNXCU-NXEZZACHSA-N 1 2 223.320 1.751 20 0 BDADLO CC[C@@H]([NH2+]CCOCC(F)(F)F)C(=O)OC ZINC000168357989 535803961 /nfs/dbraw/zinc/80/39/61/535803961.db2.gz VNBUXENLPYQHSO-SSDOTTSWSA-N 1 2 243.225 1.107 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335934494 535820257 /nfs/dbraw/zinc/82/02/57/535820257.db2.gz BCSBKBCIEGZKEU-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000342389786 535932775 /nfs/dbraw/zinc/93/27/75/535932775.db2.gz PBOWVXUCGCQIEN-NQBHXWOUSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000336120214 536108939 /nfs/dbraw/zinc/10/89/39/536108939.db2.gz LCUNGMBUVKPYPY-WCQYABFASA-N 1 2 247.342 1.601 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348246713 536472275 /nfs/dbraw/zinc/47/22/75/536472275.db2.gz MHDUQMAEPUEJQW-RQJHMYQMSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348246713 536472278 /nfs/dbraw/zinc/47/22/78/536472278.db2.gz MHDUQMAEPUEJQW-RQJHMYQMSA-N 1 2 225.210 1.432 20 0 BDADLO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000164098091 536602714 /nfs/dbraw/zinc/60/27/14/536602714.db2.gz JRWAJWRQTWVWRP-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348207812 536630829 /nfs/dbraw/zinc/63/08/29/536630829.db2.gz YNGFGLFZFDNCAZ-YWVKMMECSA-N 1 2 227.304 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348207812 536630832 /nfs/dbraw/zinc/63/08/32/536630832.db2.gz YNGFGLFZFDNCAZ-YWVKMMECSA-N 1 2 227.304 1.047 20 0 BDADLO COCc1cc(C[N@H+](C)CC[C@H](C)O)no1 ZINC000219861898 536705517 /nfs/dbraw/zinc/70/55/17/536705517.db2.gz JNZWCCKEMSBFOR-VIFPVBQESA-N 1 2 228.292 1.024 20 0 BDADLO COCc1cc(C[N@@H+](C)CC[C@H](C)O)no1 ZINC000219861898 536705519 /nfs/dbraw/zinc/70/55/19/536705519.db2.gz JNZWCCKEMSBFOR-VIFPVBQESA-N 1 2 228.292 1.024 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccsc1)C1CC1 ZINC000227771510 536735926 /nfs/dbraw/zinc/73/59/26/536735926.db2.gz SZRBEQUEEWEJCQ-LLVKDONJSA-N 1 2 239.340 1.832 20 0 BDADLO COC[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301299827 536764391 /nfs/dbraw/zinc/76/43/91/536764391.db2.gz WXVWPRQXGONCIW-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000351517258 536833892 /nfs/dbraw/zinc/83/38/92/536833892.db2.gz JIGINQPQMLUHOG-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000351517258 536833893 /nfs/dbraw/zinc/83/38/93/536833893.db2.gz JIGINQPQMLUHOG-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[NH+]2[C@@H](C)CC[C@@H]2C)no1 ZINC000351520252 536836041 /nfs/dbraw/zinc/83/60/41/536836041.db2.gz GXYIZZTZPAQJFZ-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO COC(=O)c1cnoc1C[N@H+](C)CCSC ZINC000351871095 536837503 /nfs/dbraw/zinc/83/75/03/536837503.db2.gz QWJSSDVUQDKUTP-UHFFFAOYSA-N 1 2 244.316 1.256 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+](C)CCSC ZINC000351871095 536837506 /nfs/dbraw/zinc/83/75/06/536837506.db2.gz QWJSSDVUQDKUTP-UHFFFAOYSA-N 1 2 244.316 1.256 20 0 BDADLO COCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000105785012 536895348 /nfs/dbraw/zinc/89/53/48/536895348.db2.gz AVNCVCHYLLHBSJ-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO COCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000105785012 536895351 /nfs/dbraw/zinc/89/53/51/536895351.db2.gz AVNCVCHYLLHBSJ-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO CO[C@H]1CCC[C@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC001172929250 974978198 /nfs/dbraw/zinc/97/81/98/974978198.db2.gz DUPRCJSCNTWWOL-QWRGUYRKSA-N 1 2 239.319 1.767 20 0 BDADLO CO[C@H]1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC001172929250 974978208 /nfs/dbraw/zinc/97/82/08/974978208.db2.gz DUPRCJSCNTWWOL-QWRGUYRKSA-N 1 2 239.319 1.767 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1nccs1 ZINC000352167475 566473391 /nfs/dbraw/zinc/47/33/91/566473391.db2.gz BMJRFCBNMIIHGV-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1nccs1 ZINC000352167475 566473402 /nfs/dbraw/zinc/47/34/02/566473402.db2.gz BMJRFCBNMIIHGV-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CN(C)c1cc(NCC(C)(C)CCO)[nH+]cn1 ZINC000892741347 582973848 /nfs/dbraw/zinc/97/38/48/582973848.db2.gz UDQNDZLAJPQSOR-UHFFFAOYSA-N 1 2 238.335 1.363 20 0 BDADLO CN(C)c1cc(NCC(C)(C)CCO)nc[nH+]1 ZINC000892741347 582973851 /nfs/dbraw/zinc/97/38/51/582973851.db2.gz UDQNDZLAJPQSOR-UHFFFAOYSA-N 1 2 238.335 1.363 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1C=CCC1)n1cc[nH+]c1 ZINC000855433491 583105002 /nfs/dbraw/zinc/10/50/02/583105002.db2.gz GANSNURPVOLONW-QWRGUYRKSA-N 1 2 219.288 1.669 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](CO)C2)c1C ZINC000893864186 583234650 /nfs/dbraw/zinc/23/46/50/583234650.db2.gz SCJCSFCGJGIJMV-LLVKDONJSA-N 1 2 223.320 1.231 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](CO)C2)c1C ZINC000893864186 583234652 /nfs/dbraw/zinc/23/46/52/583234652.db2.gz SCJCSFCGJGIJMV-LLVKDONJSA-N 1 2 223.320 1.231 20 0 BDADLO COC[C@@H]([NH2+]C1CC2(C1)CCCC2)C(=O)OC ZINC000893954727 583261464 /nfs/dbraw/zinc/26/14/64/583261464.db2.gz GYHXBNFXDVUJHQ-LLVKDONJSA-N 1 2 241.331 1.487 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1C ZINC000894033607 583277535 /nfs/dbraw/zinc/27/75/35/583277535.db2.gz KCMZEISPVFILRZ-CABZTGNLSA-N 1 2 237.347 1.762 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1C ZINC000894033607 583277538 /nfs/dbraw/zinc/27/75/38/583277538.db2.gz KCMZEISPVFILRZ-CABZTGNLSA-N 1 2 237.347 1.762 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000894178888 583328512 /nfs/dbraw/zinc/32/85/12/583328512.db2.gz QVDJZNVEEYHSBZ-VWYCJHECSA-N 1 2 243.347 1.730 20 0 BDADLO Fc1cnc(NCCCNc2cccc[nH+]2)cn1 ZINC000853174380 588723609 /nfs/dbraw/zinc/72/36/09/588723609.db2.gz FIBPQTGNKRAIBV-UHFFFAOYSA-N 1 2 247.277 1.925 20 0 BDADLO C[C@@H](CC(=O)O[C@@H]1COC[C@H]1C)n1cc[nH+]c1 ZINC000853198647 588724853 /nfs/dbraw/zinc/72/48/53/588724853.db2.gz COQCLLFRBZILMS-OUAUKWLOSA-N 1 2 238.287 1.412 20 0 BDADLO C[N@H+](CCn1cccn1)Cn1cc(Cl)cn1 ZINC000111169398 588726043 /nfs/dbraw/zinc/72/60/43/588726043.db2.gz RUSHTKGSBPJHNN-UHFFFAOYSA-N 1 2 239.710 1.323 20 0 BDADLO C[N@@H+](CCn1cccn1)Cn1cc(Cl)cn1 ZINC000111169398 588726044 /nfs/dbraw/zinc/72/60/44/588726044.db2.gz RUSHTKGSBPJHNN-UHFFFAOYSA-N 1 2 239.710 1.323 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCc2ccon2)c1 ZINC000853401582 588741184 /nfs/dbraw/zinc/74/11/84/588741184.db2.gz VTBWQEDJCVIBPK-UHFFFAOYSA-N 1 2 247.254 1.397 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2c2cnccn2)[nH]1 ZINC000853468879 588744900 /nfs/dbraw/zinc/74/49/00/588744900.db2.gz ILJMDOROFREJJC-VIFPVBQESA-N 1 2 215.260 1.541 20 0 BDADLO CC[N@H+](CC1CCC1)Cn1nc(C)oc1=O ZINC000853509660 588746946 /nfs/dbraw/zinc/74/69/46/588746946.db2.gz CJJKMKDQDAXNOE-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO CC[N@@H+](CC1CCC1)Cn1nc(C)oc1=O ZINC000853509660 588746947 /nfs/dbraw/zinc/74/69/47/588746947.db2.gz CJJKMKDQDAXNOE-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cn2nc(C)oc2=O)CC1 ZINC000853497949 588746363 /nfs/dbraw/zinc/74/63/63/588746363.db2.gz DGAMSUGZXFLWJO-LLVKDONJSA-N 1 2 239.319 1.614 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cn2nc(C)oc2=O)CC1 ZINC000853497949 588746364 /nfs/dbraw/zinc/74/63/64/588746364.db2.gz DGAMSUGZXFLWJO-LLVKDONJSA-N 1 2 239.319 1.614 20 0 BDADLO Fc1cc(N[C@H]2CCn3cc[nH+]c32)ncn1 ZINC000853650954 588752350 /nfs/dbraw/zinc/75/23/50/588752350.db2.gz OIBNPKFJNNOVLZ-ZETCQYMHSA-N 1 2 219.223 1.369 20 0 BDADLO CC1=NO[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000853661256 588753496 /nfs/dbraw/zinc/75/34/96/588753496.db2.gz RVHXVPHDUGGMKO-SECBINFHSA-N 1 2 206.249 1.362 20 0 BDADLO CC1=NO[C@H](CNc2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000853660857 588753603 /nfs/dbraw/zinc/75/36/03/588753603.db2.gz LTQNTDBNNHZVBD-VIFPVBQESA-N 1 2 245.286 1.843 20 0 BDADLO CC(C)=CCCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000853669178 588754042 /nfs/dbraw/zinc/75/40/42/588754042.db2.gz LGIQANZAVNBFQN-UHFFFAOYSA-N 1 2 241.335 1.756 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853674131 588754773 /nfs/dbraw/zinc/75/47/73/588754773.db2.gz SINRDMVRXKTQQL-QEYWKRMJSA-N 1 2 212.293 1.566 20 0 BDADLO CC(C)[C@@H](C)O[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000853727395 588759674 /nfs/dbraw/zinc/75/96/74/588759674.db2.gz FJEGIKOYNNHQDO-GHMZBOCLSA-N 1 2 244.335 1.582 20 0 BDADLO CC(C)c1nc(NC/C=C/CO)cc[nH+]1 ZINC000853794065 588763702 /nfs/dbraw/zinc/76/37/02/588763702.db2.gz MABUINZLJCSQSK-ONEGZZNKSA-N 1 2 207.277 1.560 20 0 BDADLO C[C@H](Nc1cc(F)ncn1)c1[nH+]ccn1C ZINC000853967157 588770576 /nfs/dbraw/zinc/77/05/76/588770576.db2.gz NAUBIIRBYTUCRZ-ZETCQYMHSA-N 1 2 221.239 1.522 20 0 BDADLO C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854182676 588777230 /nfs/dbraw/zinc/77/72/30/588777230.db2.gz PHNRINILTRHIOG-SECBINFHSA-N 1 2 207.277 1.353 20 0 BDADLO C[C@@H](CC(=O)NC1=[NH+]CCS1)[C@@H]1CCCO1 ZINC000854293071 588782809 /nfs/dbraw/zinc/78/28/09/588782809.db2.gz LTEOQIQMNYVGEG-IUCAKERBSA-N 1 2 242.344 1.411 20 0 BDADLO CSC(C)(C)C(=O)NC1=[NH+]CCS1 ZINC000854292174 588782932 /nfs/dbraw/zinc/78/29/32/588782932.db2.gz AMCMATPLQMSKCL-UHFFFAOYSA-N 1 2 218.347 1.347 20 0 BDADLO C[C@@H]1[C@H](C(=O)NOc2ccccc2)CC[N@@H+]1C ZINC000854535725 588791153 /nfs/dbraw/zinc/79/11/53/588791153.db2.gz ISMNZBBRYBNRBY-ZYHUDNBSSA-N 1 2 234.299 1.437 20 0 BDADLO C[C@@H]1[C@H](C(=O)NOc2ccccc2)CC[N@H+]1C ZINC000854535725 588791154 /nfs/dbraw/zinc/79/11/54/588791154.db2.gz ISMNZBBRYBNRBY-ZYHUDNBSSA-N 1 2 234.299 1.437 20 0 BDADLO CSC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595249 588796319 /nfs/dbraw/zinc/79/63/19/588796319.db2.gz XMMFROJZXADMNE-SSDOTTSWSA-N 1 2 227.333 1.729 20 0 BDADLO O=C(NOCCC1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854639772 588798741 /nfs/dbraw/zinc/79/87/41/588798741.db2.gz FFSHZDBNYIYFOD-JTQLQIEISA-N 1 2 249.314 1.363 20 0 BDADLO O=C(NOCCC1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854639772 588798742 /nfs/dbraw/zinc/79/87/42/588798742.db2.gz FFSHZDBNYIYFOD-JTQLQIEISA-N 1 2 249.314 1.363 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854684948 588801258 /nfs/dbraw/zinc/80/12/58/588801258.db2.gz GXYCRIWOVQWDBE-ZJUUUORDSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000854827999 588812430 /nfs/dbraw/zinc/81/24/30/588812430.db2.gz FSCSSADYJBLOEL-FZMZJTMJSA-N 1 2 245.326 1.599 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854939609 588817241 /nfs/dbraw/zinc/81/72/41/588817241.db2.gz NJUZQJJOLWPRAO-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C2CCC2)C1 ZINC000854951030 588818561 /nfs/dbraw/zinc/81/85/61/588818561.db2.gz YUVPASLMJGJKAW-NSHDSACASA-N 1 2 233.315 1.601 20 0 BDADLO C/C(=C/C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000855134470 588822753 /nfs/dbraw/zinc/82/27/53/588822753.db2.gz PGUVOMOYGIBNKT-UITAMQMPSA-N 1 2 219.288 1.724 20 0 BDADLO C/C(=C/C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000855134470 588822754 /nfs/dbraw/zinc/82/27/54/588822754.db2.gz PGUVOMOYGIBNKT-UITAMQMPSA-N 1 2 219.288 1.724 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000855134388 588822938 /nfs/dbraw/zinc/82/29/38/588822938.db2.gz MMIZMWMTQSHENZ-SECBINFHSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000855134388 588822939 /nfs/dbraw/zinc/82/29/39/588822939.db2.gz MMIZMWMTQSHENZ-SECBINFHSA-N 1 2 221.304 1.804 20 0 BDADLO COc1ccc(C[N@H+](C)CN2CCCC2=O)cc1 ZINC000113238084 588827380 /nfs/dbraw/zinc/82/73/80/588827380.db2.gz SUYDTNHTOXIZOM-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO COc1ccc(C[N@@H+](C)CN2CCCC2=O)cc1 ZINC000113238084 588827381 /nfs/dbraw/zinc/82/73/81/588827381.db2.gz SUYDTNHTOXIZOM-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCCC2=O)C[C@H](C)O1 ZINC000113245413 588828355 /nfs/dbraw/zinc/82/83/55/588828355.db2.gz ZWYRRTBFYDUYJP-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCCC2=O)C[C@H](C)O1 ZINC000113245413 588828356 /nfs/dbraw/zinc/82/83/56/588828356.db2.gz ZWYRRTBFYDUYJP-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO c1cn(-c2cc(N3CC[C@H]4C[C@H]43)ncn2)c[nH+]1 ZINC000804688048 582525373 /nfs/dbraw/zinc/52/53/73/582525373.db2.gz GTPYCYGSGCIOIU-VHSXEESVSA-N 1 2 227.271 1.261 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C=CCC1 ZINC000855434515 588836094 /nfs/dbraw/zinc/83/60/94/588836094.db2.gz LUGAKTGTGAAMNW-NSHDSACASA-N 1 2 245.326 1.597 20 0 BDADLO C[C@H]1COC2(CCC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000855520487 588838449 /nfs/dbraw/zinc/83/84/49/588838449.db2.gz FTCUYYZEIRQGGL-JTQLQIEISA-N 1 2 249.314 1.122 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H](C)CC(C)C ZINC000846090524 582644657 /nfs/dbraw/zinc/64/46/57/582644657.db2.gz BXFRTXDOLQTOKA-SNVBAGLBSA-N 1 2 216.325 1.326 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)C[C@H]1O ZINC000846841058 582667696 /nfs/dbraw/zinc/66/76/96/582667696.db2.gz VYPQYXOMHGJXFX-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000855796369 588848744 /nfs/dbraw/zinc/84/87/44/588848744.db2.gz HERGBHMOUURSLQ-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO CCc1cc(NCC(=O)N(C)C)nc(CC)[nH+]1 ZINC000891545985 582696078 /nfs/dbraw/zinc/69/60/78/582696078.db2.gz QOVIEHBWCLAZGV-UHFFFAOYSA-N 1 2 236.319 1.102 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000891558242 582697408 /nfs/dbraw/zinc/69/74/08/582697408.db2.gz BZAIHJUFEDOTMF-IJLUTSLNSA-N 1 2 248.330 1.371 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891561387 582697443 /nfs/dbraw/zinc/69/74/43/582697443.db2.gz ATQBKITYLIPDIE-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891561387 582697444 /nfs/dbraw/zinc/69/74/44/582697444.db2.gz ATQBKITYLIPDIE-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO Cn1cc[nH+]c1CNc1nc(C2CC2)ns1 ZINC000083668841 582706909 /nfs/dbraw/zinc/70/69/09/582706909.db2.gz PHAOWACKWCKKNH-UHFFFAOYSA-N 1 2 235.316 1.761 20 0 BDADLO C[C@H]1C[N@H+](Cc2c3c(nn2C)CCC3)[C@@H](C)CO1 ZINC000891671204 582708441 /nfs/dbraw/zinc/70/84/41/582708441.db2.gz MYLAVLDINUQINJ-QWRGUYRKSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)[C@@H](C)CO1 ZINC000891671204 582708444 /nfs/dbraw/zinc/70/84/44/582708444.db2.gz MYLAVLDINUQINJ-QWRGUYRKSA-N 1 2 249.358 1.518 20 0 BDADLO c1cn(C2CC2)c(C[N@@H+]2CCCOCC2)n1 ZINC000891719452 582713041 /nfs/dbraw/zinc/71/30/41/582713041.db2.gz FEKCYPHIPUWRTP-UHFFFAOYSA-N 1 2 221.304 1.440 20 0 BDADLO c1cn(C2CC2)c(C[N@H+]2CCCOCC2)n1 ZINC000891719452 582713044 /nfs/dbraw/zinc/71/30/44/582713044.db2.gz FEKCYPHIPUWRTP-UHFFFAOYSA-N 1 2 221.304 1.440 20 0 BDADLO CCn1ncc(C)c1NC(=O)Cc1[nH]cc[nH+]1 ZINC000855751035 588847135 /nfs/dbraw/zinc/84/71/35/588847135.db2.gz LWGZOCIIMDSOKT-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO CCN(C[C@H]1CCCO1)c1nccn2c[nH+]cc12 ZINC000891969635 582749822 /nfs/dbraw/zinc/74/98/22/582749822.db2.gz QWVLLEPHTZERGX-LLVKDONJSA-N 1 2 246.314 1.735 20 0 BDADLO Cn1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C1CC1 ZINC000892055900 582777878 /nfs/dbraw/zinc/77/78/78/582777878.db2.gz NGAAQELYMLZEOA-BETUJISGSA-N 1 2 247.342 1.661 20 0 BDADLO Cn1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C1CC1 ZINC000892055900 582777880 /nfs/dbraw/zinc/77/78/80/582777880.db2.gz NGAAQELYMLZEOA-BETUJISGSA-N 1 2 247.342 1.661 20 0 BDADLO Cc1noc(CCNc2cccc([C@H](C)O)[nH+]2)n1 ZINC000892134459 582797898 /nfs/dbraw/zinc/79/78/98/582797898.db2.gz DSMIEBFTDLJGEX-QMMMGPOBSA-N 1 2 248.286 1.481 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCC[C@H]2O)[nH+]cn1 ZINC000892244166 582812796 /nfs/dbraw/zinc/81/27/96/582812796.db2.gz HKJBUJLRTJERDE-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000892244166 582812799 /nfs/dbraw/zinc/81/27/99/582812799.db2.gz HKJBUJLRTJERDE-NXEZZACHSA-N 1 2 236.319 1.258 20 0 BDADLO COCC[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892251352 582813149 /nfs/dbraw/zinc/81/31/49/582813149.db2.gz IMEUVVXTLOKRPI-VHSXEESVSA-N 1 2 224.304 1.972 20 0 BDADLO COCC[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892251353 582813465 /nfs/dbraw/zinc/81/34/65/582813465.db2.gz IMEUVVXTLOKRPI-ZJUUUORDSA-N 1 2 224.304 1.972 20 0 BDADLO C[C@H]1C[N@H+](CCNc2cccc(F)n2)CCO1 ZINC000725790331 582854108 /nfs/dbraw/zinc/85/41/08/582854108.db2.gz WRDZHGPBCOUAAH-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO C[C@H]1C[N@@H+](CCNc2cccc(F)n2)CCO1 ZINC000725790331 582854109 /nfs/dbraw/zinc/85/41/09/582854109.db2.gz WRDZHGPBCOUAAH-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000892357028 582865825 /nfs/dbraw/zinc/86/58/25/582865825.db2.gz GLPZGCSDQXJEOM-JTQLQIEISA-N 1 2 232.287 1.450 20 0 BDADLO CCC[C@@H](CC)NC(=O)NCc1cn(C)c[nH+]1 ZINC000892444145 582888852 /nfs/dbraw/zinc/88/88/52/582888852.db2.gz OMMGYFALCQHTEY-SNVBAGLBSA-N 1 2 238.335 1.798 20 0 BDADLO Cn1cc(C[NH2+]Cc2sccc2Cl)nn1 ZINC000308859988 582896652 /nfs/dbraw/zinc/89/66/52/582896652.db2.gz ZTZJABRCALMXRL-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cc(NC)nc[nH+]1 ZINC000892502834 582899475 /nfs/dbraw/zinc/89/94/75/582899475.db2.gz XOZUOEAVNAQDOX-DTWKUNHWSA-N 1 2 224.308 1.337 20 0 BDADLO C[C@H](NC(=O)C(=O)C(C)(C)C)c1[nH+]ccn1C ZINC000856277027 588866568 /nfs/dbraw/zinc/86/65/68/588866568.db2.gz GGBWHDUMCKTAAV-QMMMGPOBSA-N 1 2 237.303 1.213 20 0 BDADLO C/C(=C/C(=O)N[C@H](C)c1[nH+]ccn1C)C1CC1 ZINC000856276747 588866573 /nfs/dbraw/zinc/86/65/73/588866573.db2.gz CNPKKZQPYZLLTR-HSTULFTRSA-N 1 2 233.315 1.954 20 0 BDADLO C[C@H](NC(=O)/C=C\[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000856280455 588867014 /nfs/dbraw/zinc/86/70/14/588867014.db2.gz SGQWNTYAEKIGFN-OBOPVNRVSA-N 1 2 249.314 1.333 20 0 BDADLO CCO/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856282645 588867188 /nfs/dbraw/zinc/86/71/88/588867188.db2.gz YGVHILNNRAQBPW-RDOCRHDPSA-N 1 2 223.276 1.148 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)nc1 ZINC000856282099 588867330 /nfs/dbraw/zinc/86/73/30/588867330.db2.gz UNMQEBZMSAMTGW-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO O=C(CCF)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000892811946 582987761 /nfs/dbraw/zinc/98/77/61/582987761.db2.gz PTCNRTXBJWPYLO-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000892841671 582993983 /nfs/dbraw/zinc/99/39/83/582993983.db2.gz WFKFQGASBOBZDX-ONGXEEELSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)CCCO)[nH+]1 ZINC000892884370 583005117 /nfs/dbraw/zinc/00/51/17/583005117.db2.gz ZEFGNYXBHPQKHM-VHSXEESVSA-N 1 2 224.304 1.708 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000745078036 583023306 /nfs/dbraw/zinc/02/33/06/583023306.db2.gz ACBYRUZTDKXSKE-WDEREUQCSA-N 1 2 227.304 1.193 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000745078036 583023308 /nfs/dbraw/zinc/02/33/08/583023308.db2.gz ACBYRUZTDKXSKE-WDEREUQCSA-N 1 2 227.304 1.193 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](CO)CC2CC2)[nH+]1 ZINC000892976981 583023824 /nfs/dbraw/zinc/02/38/24/583023824.db2.gz LIKNPHILZWSTBF-KOLCDFICSA-N 1 2 236.315 1.708 20 0 BDADLO CCc1cc(N2C[C@H](O)[C@H](CC)C2)nc(CC)[nH+]1 ZINC000893031447 583033436 /nfs/dbraw/zinc/03/34/36/583033436.db2.gz ZLGVJNVCUNTKCM-PWSUYJOCSA-N 1 2 249.358 1.809 20 0 BDADLO CCc1cc(N2CCC[C@@](C)(O)C2)nc(CC)[nH+]1 ZINC000893063240 583040056 /nfs/dbraw/zinc/04/00/56/583040056.db2.gz YMHAWMIDBFZSFB-CQSZACIVSA-N 1 2 249.358 1.953 20 0 BDADLO CCc1cc(N[C@@H](C)c2nc[nH]n2)nc(CC)[nH+]1 ZINC000893065076 583040665 /nfs/dbraw/zinc/04/06/65/583040665.db2.gz JGWLNKZXIYAMJJ-QMMMGPOBSA-N 1 2 246.318 1.893 20 0 BDADLO CCc1cc(N[C@@H](C)c2nnc[nH]2)nc(CC)[nH+]1 ZINC000893065076 583040667 /nfs/dbraw/zinc/04/06/67/583040667.db2.gz JGWLNKZXIYAMJJ-QMMMGPOBSA-N 1 2 246.318 1.893 20 0 BDADLO CCc1cc(NCc2ncn(C)n2)nc(CC)[nH+]1 ZINC000893079205 583042755 /nfs/dbraw/zinc/04/27/55/583042755.db2.gz HDBKHEWGWIBMMT-UHFFFAOYSA-N 1 2 246.318 1.342 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1ccon1 ZINC000893098989 583049071 /nfs/dbraw/zinc/04/90/71/583049071.db2.gz VHPWETMEYHPHQX-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)C2)ccn1 ZINC000856732512 588875624 /nfs/dbraw/zinc/87/56/24/588875624.db2.gz TWBFCMPUBZOPLC-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@@H](C)C2)ccn1 ZINC000856732512 588875625 /nfs/dbraw/zinc/87/56/25/588875625.db2.gz TWBFCMPUBZOPLC-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO CC[C@H](NC(=O)c1ccnc(C)n1)c1[nH]cc[nH+]1 ZINC000396907573 583093328 /nfs/dbraw/zinc/09/33/28/583093328.db2.gz LQKBMZGORMZHBN-VIFPVBQESA-N 1 2 245.286 1.389 20 0 BDADLO CO[C@@H]1CN(c2nccn3c[nH+]cc23)CC[C@@H]1C ZINC000893390150 583134351 /nfs/dbraw/zinc/13/43/51/583134351.db2.gz ZWMIFCPUTZTRLE-CMPLNLGQSA-N 1 2 246.314 1.591 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1ocnc1C ZINC000893522452 583156900 /nfs/dbraw/zinc/15/69/00/583156900.db2.gz AVMCZISFVIIIRE-SECBINFHSA-N 1 2 247.254 1.790 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]C1CC(OC)C1 ZINC000840957059 583187428 /nfs/dbraw/zinc/18/74/28/583187428.db2.gz IDCJEWHMCOQHLX-ILDUYXDCSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3ncnc3C2)cnc1F ZINC000893662521 583190634 /nfs/dbraw/zinc/19/06/34/583190634.db2.gz ZFMABZPAEPJURV-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(C[N@H+]2CCn3ncnc3C2)cnc1F ZINC000893662521 583190636 /nfs/dbraw/zinc/19/06/36/583190636.db2.gz ZFMABZPAEPJURV-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn(C)nc1Cl ZINC000857048925 588883916 /nfs/dbraw/zinc/88/39/16/588883916.db2.gz NWGYIBUTKZWYEG-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn(C)nc1Cl ZINC000857048925 588883917 /nfs/dbraw/zinc/88/39/17/588883917.db2.gz NWGYIBUTKZWYEG-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cn(C)nc1Cl ZINC000857049453 588883955 /nfs/dbraw/zinc/88/39/55/588883955.db2.gz LBCUNVJUIMDBHX-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cn(C)nc1Cl ZINC000857049453 588883956 /nfs/dbraw/zinc/88/39/56/588883956.db2.gz LBCUNVJUIMDBHX-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CCOc1cncc(C[N@H+](C)CCF)c1 ZINC000857049333 588884294 /nfs/dbraw/zinc/88/42/94/588884294.db2.gz SSPNDKWNXPNDAV-UHFFFAOYSA-N 1 2 212.268 1.882 20 0 BDADLO CCOc1cncc(C[N@@H+](C)CCF)c1 ZINC000857049333 588884295 /nfs/dbraw/zinc/88/42/95/588884295.db2.gz SSPNDKWNXPNDAV-UHFFFAOYSA-N 1 2 212.268 1.882 20 0 BDADLO C[C@H]1CSC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893825454 583229373 /nfs/dbraw/zinc/22/93/73/583229373.db2.gz FFCXLHRHTCLELG-DTWKUNHWSA-N 1 2 238.360 1.706 20 0 BDADLO C[C@H]1CSC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893825454 583229376 /nfs/dbraw/zinc/22/93/76/583229376.db2.gz FFCXLHRHTCLELG-DTWKUNHWSA-N 1 2 238.360 1.706 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CCCOC2)[nH+]1 ZINC000893889140 583244332 /nfs/dbraw/zinc/24/43/32/583244332.db2.gz VDGKQEHUYYOYKG-NXEZZACHSA-N 1 2 222.288 1.726 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000857099919 588887489 /nfs/dbraw/zinc/88/74/89/588887489.db2.gz VNONWFDOKDZHOD-HTQZYQBOSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000857099919 588887490 /nfs/dbraw/zinc/88/74/90/588887490.db2.gz VNONWFDOKDZHOD-HTQZYQBOSA-N 1 2 237.221 1.576 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CCC2)n1)C(N)=O ZINC000893929849 583250034 /nfs/dbraw/zinc/25/00/34/583250034.db2.gz MCGCBSFAQIRBOM-SNVBAGLBSA-N 1 2 248.330 1.728 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOC[C@H]2C)c1C ZINC000893962286 583257384 /nfs/dbraw/zinc/25/73/84/583257384.db2.gz KMLXEJYNNBKYNY-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOC[C@H]2C)c1C ZINC000893962286 583257385 /nfs/dbraw/zinc/25/73/85/583257385.db2.gz KMLXEJYNNBKYNY-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1cc(F)ncc1C[NH2+][C@H](C)c1ncnn1C ZINC000893963238 583257429 /nfs/dbraw/zinc/25/74/29/583257429.db2.gz CCCUBLGUMHACSV-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO CCOC1CN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC000894001596 583272018 /nfs/dbraw/zinc/27/20/18/583272018.db2.gz RGAILFLWPUDWSG-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO CN(C)c1cc(N2CC[C@@H](F)C2)nc[nH+]1 ZINC000894022943 583274992 /nfs/dbraw/zinc/27/49/92/583274992.db2.gz IMRCECGYJGDTEO-MRVPVSSYSA-N 1 2 210.256 1.091 20 0 BDADLO CN(C)c1cc(N2CC[C@@H](F)C2)[nH+]cn1 ZINC000894022943 583274995 /nfs/dbraw/zinc/27/49/95/583274995.db2.gz IMRCECGYJGDTEO-MRVPVSSYSA-N 1 2 210.256 1.091 20 0 BDADLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(F)F ZINC000894043718 583285830 /nfs/dbraw/zinc/28/58/30/583285830.db2.gz VWMGJTSXMCMNHS-SSDOTTSWSA-N 1 2 239.225 1.718 20 0 BDADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H](C)C(=O)OC ZINC000894177869 583328281 /nfs/dbraw/zinc/32/82/81/583328281.db2.gz AVKFSPJIJBNPQF-OUAUKWLOSA-N 1 2 243.347 1.731 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493574 583376441 /nfs/dbraw/zinc/37/64/41/583376441.db2.gz PSTSTFGBMNPSTD-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493574 583376442 /nfs/dbraw/zinc/37/64/42/583376442.db2.gz PSTSTFGBMNPSTD-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000894257867 583395633 /nfs/dbraw/zinc/39/56/33/583395633.db2.gz ZLORBODAAVUWAC-GFCCVEGCSA-N 1 2 243.314 1.675 20 0 BDADLO CCOc1ccc(C[N@H+](C)CN2CCC2=O)cc1 ZINC000857228921 588896353 /nfs/dbraw/zinc/89/63/53/588896353.db2.gz HNVSWPIXRFLGKM-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO CCOc1ccc(C[N@@H+](C)CN2CCC2=O)cc1 ZINC000857228921 588896354 /nfs/dbraw/zinc/89/63/54/588896354.db2.gz HNVSWPIXRFLGKM-UHFFFAOYSA-N 1 2 248.326 1.707 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)cnc1F ZINC000894281159 583408199 /nfs/dbraw/zinc/40/81/99/583408199.db2.gz OSNMOOUWOBIFBN-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)cnc1F ZINC000894281159 583408200 /nfs/dbraw/zinc/40/82/00/583408200.db2.gz OSNMOOUWOBIFBN-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc(O)c(F)c2)C1 ZINC000894281058 583408576 /nfs/dbraw/zinc/40/85/76/583408576.db2.gz ODEQMCQKFAWEGI-LBPRGKRZSA-N 1 2 243.253 1.438 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000894281058 583408578 /nfs/dbraw/zinc/40/85/78/583408578.db2.gz ODEQMCQKFAWEGI-LBPRGKRZSA-N 1 2 243.253 1.438 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000879324871 583425430 /nfs/dbraw/zinc/42/54/30/583425430.db2.gz KUTHAMQETVZEAF-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879324871 583425431 /nfs/dbraw/zinc/42/54/31/583425431.db2.gz KUTHAMQETVZEAF-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H](C)C[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894354679 583433993 /nfs/dbraw/zinc/43/39/93/583433993.db2.gz XHWCFQKFNKPSAV-VHSXEESVSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@H](C)C[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894354679 583433996 /nfs/dbraw/zinc/43/39/96/583433996.db2.gz XHWCFQKFNKPSAV-VHSXEESVSA-N 1 2 238.335 1.727 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000894358082 583436837 /nfs/dbraw/zinc/43/68/37/583436837.db2.gz BFXXBTCYYWSPDH-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO Cc1cc(=O)[nH]c(CNc2cc[nH+]c(C)n2)n1 ZINC000894377453 583441779 /nfs/dbraw/zinc/44/17/79/583441779.db2.gz OMMQZIHITLWHLO-UHFFFAOYSA-N 1 2 231.259 1.201 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@H](C(C)C)C2)c1C ZINC000894420527 583455268 /nfs/dbraw/zinc/45/52/68/583455268.db2.gz OHCZIJNTAZMDIX-ZDUSSCGKSA-N 1 2 237.347 1.883 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@H](C(C)C)C2)c1C ZINC000894420527 583455271 /nfs/dbraw/zinc/45/52/71/583455271.db2.gz OHCZIJNTAZMDIX-ZDUSSCGKSA-N 1 2 237.347 1.883 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000894441879 583457675 /nfs/dbraw/zinc/45/76/75/583457675.db2.gz WJSBORPUBDGHBI-QWRGUYRKSA-N 1 2 232.331 1.921 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3CCCC[C@@H]32)[nH+]cn1 ZINC000894441879 583457676 /nfs/dbraw/zinc/45/76/76/583457676.db2.gz WJSBORPUBDGHBI-QWRGUYRKSA-N 1 2 232.331 1.921 20 0 BDADLO CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000894513035 583475365 /nfs/dbraw/zinc/47/53/65/583475365.db2.gz APEDHILUDFEYLU-VXNVDRBHSA-N 1 2 221.247 1.715 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cnnn2C)o1 ZINC000894519011 583476981 /nfs/dbraw/zinc/47/69/81/583476981.db2.gz XVUHTSOAPILLAF-UHFFFAOYSA-N 1 2 236.275 1.097 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(SC)o1 ZINC000894540458 583480407 /nfs/dbraw/zinc/48/04/07/583480407.db2.gz JMYZWSUNEXESBH-UHFFFAOYSA-N 1 2 228.317 1.309 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(SC)o1 ZINC000894540458 583480409 /nfs/dbraw/zinc/48/04/09/583480409.db2.gz JMYZWSUNEXESBH-UHFFFAOYSA-N 1 2 228.317 1.309 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000894566690 583485238 /nfs/dbraw/zinc/48/52/38/583485238.db2.gz NADXGPAGRQCATP-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000894566690 583485240 /nfs/dbraw/zinc/48/52/40/583485240.db2.gz NADXGPAGRQCATP-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2[C@H](C)C[C@@H]2C)s1 ZINC000894601013 583491270 /nfs/dbraw/zinc/49/12/70/583491270.db2.gz ONRGMJOTORDCNJ-OCAPTIKFSA-N 1 2 240.328 1.912 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2[C@H](C)C[C@@H]2C)s1 ZINC000894601013 583491272 /nfs/dbraw/zinc/49/12/72/583491272.db2.gz ONRGMJOTORDCNJ-OCAPTIKFSA-N 1 2 240.328 1.912 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nccn1C1CC1 ZINC000894612848 583494517 /nfs/dbraw/zinc/49/45/17/583494517.db2.gz OYIFJWWHHQWHQA-NSHDSACASA-N 1 2 221.304 1.439 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nccn1C1CC1 ZINC000894612848 583494519 /nfs/dbraw/zinc/49/45/19/583494519.db2.gz OYIFJWWHHQWHQA-NSHDSACASA-N 1 2 221.304 1.439 20 0 BDADLO CCn1nccc1CNc1cccc([C@H](C)O)[nH+]1 ZINC000894656928 583500955 /nfs/dbraw/zinc/50/09/55/583500955.db2.gz UGUXXNNWORICQY-JTQLQIEISA-N 1 2 246.314 1.963 20 0 BDADLO CCn1nccc1CNc1cc(N(C)C)nc[nH+]1 ZINC000894654559 583501557 /nfs/dbraw/zinc/50/15/57/583501557.db2.gz DECMUUWCGXXOOK-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCn1nccc1CNc1cc(N(C)C)[nH+]cn1 ZINC000894654559 583501560 /nfs/dbraw/zinc/50/15/60/583501560.db2.gz DECMUUWCGXXOOK-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO Cc1nn(C)c(C[NH+]2CC3(CC3)C2)c1Cl ZINC000894664638 583501814 /nfs/dbraw/zinc/50/18/14/583501814.db2.gz WFIMNZYEHURXDO-UHFFFAOYSA-N 1 2 225.723 1.978 20 0 BDADLO CCn1cc(C[N@H+](C(C)C)C2COC2)c(C)n1 ZINC000894659325 583504066 /nfs/dbraw/zinc/50/40/66/583504066.db2.gz RNFVVJPNQMZZLM-UHFFFAOYSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@@H+](C(C)C)C2COC2)c(C)n1 ZINC000894659325 583504068 /nfs/dbraw/zinc/50/40/68/583504068.db2.gz RNFVVJPNQMZZLM-UHFFFAOYSA-N 1 2 237.347 1.821 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1CO ZINC000894677481 583504564 /nfs/dbraw/zinc/50/45/64/583504564.db2.gz SESMIJMWQZPVPJ-MNOVXSKESA-N 1 2 246.314 1.184 20 0 BDADLO c1[nH+]cn2ccnc(N3CC4(C3)CCCO4)c12 ZINC000894732093 583514017 /nfs/dbraw/zinc/51/40/17/583514017.db2.gz YOTSPSACKBEQMJ-UHFFFAOYSA-N 1 2 230.271 1.099 20 0 BDADLO C/C=C/CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894774144 583517822 /nfs/dbraw/zinc/51/78/22/583517822.db2.gz ONHSJWRJWLQLFH-RXNUUUNCSA-N 1 2 236.319 1.647 20 0 BDADLO C/C=C/CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894774144 583517823 /nfs/dbraw/zinc/51/78/23/583517823.db2.gz ONHSJWRJWLQLFH-RXNUUUNCSA-N 1 2 236.319 1.647 20 0 BDADLO CCC(O)(CC)CN(C)c1nccn2c[nH+]cc12 ZINC000894816207 583523025 /nfs/dbraw/zinc/52/30/25/583523025.db2.gz VKGHWWPWRGKWBX-UHFFFAOYSA-N 1 2 248.330 1.717 20 0 BDADLO CCCC[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806379 583523042 /nfs/dbraw/zinc/52/30/42/583523042.db2.gz OXUQCXOILXMEDW-JTQLQIEISA-N 1 2 238.335 1.165 20 0 BDADLO CCCC[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806379 583523044 /nfs/dbraw/zinc/52/30/44/583523044.db2.gz OXUQCXOILXMEDW-JTQLQIEISA-N 1 2 238.335 1.165 20 0 BDADLO COC1C[NH+](C[C@H]2C[C@]2(C)Br)C1 ZINC000894818384 583524497 /nfs/dbraw/zinc/52/44/97/583524497.db2.gz CCTJEUIPWCUBEE-APPZFPTMSA-N 1 2 234.137 1.491 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccc3c2OCC3)C1 ZINC000894822075 583525470 /nfs/dbraw/zinc/52/54/70/583525470.db2.gz MMWRTYTYCMPWDL-UHFFFAOYSA-N 1 2 247.338 1.824 20 0 BDADLO c1cn(C2CC2)c(C[NH+]2CC3(C2)CCCOC3)n1 ZINC000894828544 583527368 /nfs/dbraw/zinc/52/73/68/583527368.db2.gz OPXGENOVTUQYIA-UHFFFAOYSA-N 1 2 247.342 1.830 20 0 BDADLO CC(C)Cc1ccc(C[NH+]2CC(C)(O)C2)cn1 ZINC000894830534 583527735 /nfs/dbraw/zinc/52/77/35/583527735.db2.gz KWHOPCIUCSRFAZ-UHFFFAOYSA-N 1 2 234.343 1.847 20 0 BDADLO CCOc1ccc(C[NH+]2CC(C)(CO)C2)o1 ZINC000894841072 583529977 /nfs/dbraw/zinc/52/99/77/583529977.db2.gz RBHPTQBZPTXWCP-UHFFFAOYSA-N 1 2 225.288 1.493 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000894861990 583535693 /nfs/dbraw/zinc/53/56/93/583535693.db2.gz QPNDNRZZJAPLJU-ZJUUUORDSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)nn1 ZINC000894861990 583535694 /nfs/dbraw/zinc/53/56/94/583535694.db2.gz QPNDNRZZJAPLJU-ZJUUUORDSA-N 1 2 208.309 1.528 20 0 BDADLO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894881964 583544067 /nfs/dbraw/zinc/54/40/67/583544067.db2.gz TYTMXGZUKZZZPL-YPMHNXCESA-N 1 2 237.347 1.619 20 0 BDADLO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894881964 583544068 /nfs/dbraw/zinc/54/40/68/583544068.db2.gz TYTMXGZUKZZZPL-YPMHNXCESA-N 1 2 237.347 1.619 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CC=C[C@@H]2CO)o1 ZINC000880485394 583544253 /nfs/dbraw/zinc/54/42/53/583544253.db2.gz CIPZPSWTRJQHSZ-SNVBAGLBSA-N 1 2 222.288 1.531 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CC=C[C@@H]2CO)o1 ZINC000880485394 583544255 /nfs/dbraw/zinc/54/42/55/583544255.db2.gz CIPZPSWTRJQHSZ-SNVBAGLBSA-N 1 2 222.288 1.531 20 0 BDADLO CSc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000894907433 583554226 /nfs/dbraw/zinc/55/42/26/583554226.db2.gz SGDWFNQUOPFBRI-SECBINFHSA-N 1 2 240.328 1.451 20 0 BDADLO CSc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000894907433 583554227 /nfs/dbraw/zinc/55/42/27/583554227.db2.gz SGDWFNQUOPFBRI-SECBINFHSA-N 1 2 240.328 1.451 20 0 BDADLO CC[C@]1(O)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894937714 583558550 /nfs/dbraw/zinc/55/85/50/583558550.db2.gz ROTRYXSRQBRUNC-ZDUSSCGKSA-N 1 2 246.314 1.471 20 0 BDADLO CC(C)OC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000894966568 583560032 /nfs/dbraw/zinc/56/00/32/583560032.db2.gz DLUOEIGBCPFTQV-UHFFFAOYSA-N 1 2 233.315 1.968 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC(OC(F)F)C1 ZINC000894979466 583563079 /nfs/dbraw/zinc/56/30/79/583563079.db2.gz SVHWCIQEAXAOTE-UHFFFAOYSA-N 1 2 243.257 1.396 20 0 BDADLO CN(C)c1cc(N2CCC(C)(F)CC2)nc[nH+]1 ZINC000894983023 583563084 /nfs/dbraw/zinc/56/30/84/583563084.db2.gz ZRKPRBNBHXGQNT-UHFFFAOYSA-N 1 2 238.310 1.871 20 0 BDADLO CN(C)c1cc(N2CCC(C)(F)CC2)[nH+]cn1 ZINC000894983023 583563085 /nfs/dbraw/zinc/56/30/85/583563085.db2.gz ZRKPRBNBHXGQNT-UHFFFAOYSA-N 1 2 238.310 1.871 20 0 BDADLO CCn1ccc(C[NH2+][C@@H](C)c2cnccn2)n1 ZINC000894990715 583563806 /nfs/dbraw/zinc/56/38/06/583563806.db2.gz IRSUTFHPNFLNTC-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CCO[C@@H](CF)C1 ZINC000894985788 583564593 /nfs/dbraw/zinc/56/45/93/583564593.db2.gz JDTYXKLFCUWYQA-JTQLQIEISA-N 1 2 239.294 1.143 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000894987418 583565583 /nfs/dbraw/zinc/56/55/83/583565583.db2.gz PQPZSGLJTNNALH-SECBINFHSA-N 1 2 214.240 1.153 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@H](CF)C1 ZINC000894987418 583565585 /nfs/dbraw/zinc/56/55/85/583565585.db2.gz PQPZSGLJTNNALH-SECBINFHSA-N 1 2 214.240 1.153 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccc(OC)o2)C1 ZINC000895018784 583569325 /nfs/dbraw/zinc/56/93/25/583569325.db2.gz SSFOJKADDRSLPX-UHFFFAOYSA-N 1 2 239.271 1.283 20 0 BDADLO CC1(C)C[C@@H](O)CN(c2nccn3c[nH+]cc23)C1 ZINC000895031918 583571061 /nfs/dbraw/zinc/57/10/61/583571061.db2.gz NUQPFXQYVNYZAS-SNVBAGLBSA-N 1 2 246.314 1.327 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@H]2C[C@H](O)C2)[nH+]1 ZINC000895075094 583580401 /nfs/dbraw/zinc/58/04/01/583580401.db2.gz PVNHXKGGKVZUNX-OPRDCNLKSA-N 1 2 222.288 1.318 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H](CF)C1 ZINC000881602347 583580468 /nfs/dbraw/zinc/58/04/68/583580468.db2.gz WNJNGHVGUDQYFN-JTQLQIEISA-N 1 2 239.294 1.550 20 0 BDADLO O=C(NC/C=C/Cl)N[C@H]1CCn2cc[nH+]c21 ZINC000895078955 583582420 /nfs/dbraw/zinc/58/24/20/583582420.db2.gz ZQHNITIGRNDLPE-LKVYWMSASA-N 1 2 240.694 1.380 20 0 BDADLO CN(C)c1cc(N[C@@H]2CC23CCC3)[nH+]cn1 ZINC000895091673 583587472 /nfs/dbraw/zinc/58/74/72/583587472.db2.gz YHJULNHJRATYBW-SECBINFHSA-N 1 2 218.304 1.897 20 0 BDADLO CN(C)c1cc(N[C@@H]2CC23CCC3)nc[nH+]1 ZINC000895091673 583587473 /nfs/dbraw/zinc/58/74/73/583587473.db2.gz YHJULNHJRATYBW-SECBINFHSA-N 1 2 218.304 1.897 20 0 BDADLO FC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000895132199 583600915 /nfs/dbraw/zinc/60/09/15/583600915.db2.gz PTNIPLVCRTZTQL-SNVBAGLBSA-N 1 2 234.278 1.915 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1F ZINC000895134289 583601988 /nfs/dbraw/zinc/60/19/88/583601988.db2.gz ZMMHLDWDQVALIZ-NOZJJQNGSA-N 1 2 249.289 1.761 20 0 BDADLO CCc1cc(N2CC=C[C@@H]2CO)nc(CC)[nH+]1 ZINC000895163216 583611111 /nfs/dbraw/zinc/61/11/11/583611111.db2.gz NKQOSEPGPXWENC-LLVKDONJSA-N 1 2 233.315 1.339 20 0 BDADLO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1n[nH]c(=O)n1C ZINC000895171408 583612773 /nfs/dbraw/zinc/61/27/73/583612773.db2.gz JSAOLSUPINUPQQ-CSMHCCOUSA-N 1 2 242.348 1.065 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000895276053 583635071 /nfs/dbraw/zinc/63/50/71/583635071.db2.gz QHPAIIJHNCUSPG-GXFFZTMASA-N 1 2 235.331 1.490 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000895276053 583635072 /nfs/dbraw/zinc/63/50/72/583635072.db2.gz QHPAIIJHNCUSPG-GXFFZTMASA-N 1 2 235.331 1.490 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1C ZINC000895275820 583635426 /nfs/dbraw/zinc/63/54/26/583635426.db2.gz PQTZCPKZKDCYOQ-WCQYABFASA-N 1 2 235.331 1.495 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1C ZINC000895275820 583635428 /nfs/dbraw/zinc/63/54/28/583635428.db2.gz PQTZCPKZKDCYOQ-WCQYABFASA-N 1 2 235.331 1.495 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@H]3C[C@H]32)c1 ZINC000895291552 583637027 /nfs/dbraw/zinc/63/70/27/583637027.db2.gz NQIAMNMLNFCEOX-CMPLNLGQSA-N 1 2 248.330 1.157 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC/C=C/Cl)c1 ZINC000895292809 583639042 /nfs/dbraw/zinc/63/90/42/583639042.db2.gz YIQBIPZEEMQJFE-DUXPYHPUSA-N 1 2 242.710 1.014 20 0 BDADLO Cc1cc(C[NH2+]C[C@H]2CC(C)=NO2)no1 ZINC000895299245 583640950 /nfs/dbraw/zinc/64/09/50/583640950.db2.gz AMTWTWVVEGDNDE-SNVBAGLBSA-N 1 2 209.249 1.237 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000857873854 588918235 /nfs/dbraw/zinc/91/82/35/588918235.db2.gz BVVHZSDOXIDRAX-UHFFFAOYSA-N 1 2 233.315 1.312 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857873854 588918236 /nfs/dbraw/zinc/91/82/36/588918236.db2.gz BVVHZSDOXIDRAX-UHFFFAOYSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@H](CC(=O)N(C)CCCF)n1cc[nH+]c1 ZINC000895305560 583643475 /nfs/dbraw/zinc/64/34/75/583643475.db2.gz SPDPUZZBORCCMU-SNVBAGLBSA-N 1 2 227.283 1.652 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cs1 ZINC000895319496 583649391 /nfs/dbraw/zinc/64/93/91/583649391.db2.gz YGNFMJCUFJPTSH-SECBINFHSA-N 1 2 239.344 1.066 20 0 BDADLO OC/C=C\C[NH2+]Cc1nnc(C2CC2)s1 ZINC000895339663 583653975 /nfs/dbraw/zinc/65/39/75/583653975.db2.gz VJUZGBZUSNAXQS-UPHRSURJSA-N 1 2 225.317 1.054 20 0 BDADLO O=C1O[C@@H](C[N@@H+]2Cc3ccncc3C2)CC12CC2 ZINC000857879723 588919562 /nfs/dbraw/zinc/91/95/62/588919562.db2.gz OQLBFIATZFIWSO-GFCCVEGCSA-N 1 2 244.294 1.493 20 0 BDADLO O=C1O[C@@H](C[N@H+]2Cc3ccncc3C2)CC12CC2 ZINC000857879723 588919564 /nfs/dbraw/zinc/91/95/64/588919564.db2.gz OQLBFIATZFIWSO-GFCCVEGCSA-N 1 2 244.294 1.493 20 0 BDADLO C[N@H+](C[C@H]1CC=CCC1)C1CS(=O)(=O)C1 ZINC000895396761 583664776 /nfs/dbraw/zinc/66/47/76/583664776.db2.gz BWSDAOUDGFGZKT-JTQLQIEISA-N 1 2 229.345 1.072 20 0 BDADLO C[N@@H+](C[C@H]1CC=CCC1)C1CS(=O)(=O)C1 ZINC000895396761 583664777 /nfs/dbraw/zinc/66/47/77/583664777.db2.gz BWSDAOUDGFGZKT-JTQLQIEISA-N 1 2 229.345 1.072 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@H]2COCC2(C)C)c1 ZINC000895417549 583667508 /nfs/dbraw/zinc/66/75/08/583667508.db2.gz CBWIIESKAWSYSI-LBPRGKRZSA-N 1 2 235.331 1.985 20 0 BDADLO CCc1nnc(C[NH2+]C[C@H]2CC(C)=NO2)s1 ZINC000895428025 583668602 /nfs/dbraw/zinc/66/86/02/583668602.db2.gz FALADHJLLCOVDU-MRVPVSSYSA-N 1 2 240.332 1.355 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@@H]1C(F)F)[C@H]1CCOC1 ZINC000895431336 583670355 /nfs/dbraw/zinc/67/03/55/583670355.db2.gz LGRCDHWOZGPVJD-IVZWLZJFSA-N 1 2 235.274 1.377 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@@H]1C(F)F)[C@H]1CCOC1 ZINC000895431336 583670356 /nfs/dbraw/zinc/67/03/56/583670356.db2.gz LGRCDHWOZGPVJD-IVZWLZJFSA-N 1 2 235.274 1.377 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CC1 ZINC000895431432 583670840 /nfs/dbraw/zinc/67/08/40/583670840.db2.gz MSSIPYOJDFUMPH-BDAKNGLRSA-N 1 2 205.248 1.751 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@@H]1C(F)F)C1CC1 ZINC000895431432 583670842 /nfs/dbraw/zinc/67/08/42/583670842.db2.gz MSSIPYOJDFUMPH-BDAKNGLRSA-N 1 2 205.248 1.751 20 0 BDADLO COC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895449488 583675711 /nfs/dbraw/zinc/67/57/11/583675711.db2.gz JVWOISDHPYZSSS-JTQLQIEISA-N 1 2 239.319 1.078 20 0 BDADLO CCc1nc(NC/C=C(\C)C(=O)OC)cc[nH+]1 ZINC000895507936 583681281 /nfs/dbraw/zinc/68/12/81/583681281.db2.gz CWIFJIPLQDRORK-WEVVVXLNSA-N 1 2 235.287 1.570 20 0 BDADLO COC(=O)/C(C)=C\CNc1[nH+]cccc1OC ZINC000895512375 583682355 /nfs/dbraw/zinc/68/23/55/583682355.db2.gz JYBFPVAXONKEFP-TWGQIWQCSA-N 1 2 236.271 1.621 20 0 BDADLO CCCSC[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000895530069 583684796 /nfs/dbraw/zinc/68/47/96/583684796.db2.gz BJXNGDHTPPQBKI-QMMMGPOBSA-N 1 2 214.338 1.426 20 0 BDADLO CCCSC[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000895530069 583684798 /nfs/dbraw/zinc/68/47/98/583684798.db2.gz BJXNGDHTPPQBKI-QMMMGPOBSA-N 1 2 214.338 1.426 20 0 BDADLO CCCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857891439 588921622 /nfs/dbraw/zinc/92/16/22/588921622.db2.gz UWDGRDUMTHSLAN-LLVKDONJSA-N 1 2 235.331 1.894 20 0 BDADLO Cc1cc(N[C@@H]2CCNC(=O)CC2)c[nH+]c1C ZINC000895646939 583698651 /nfs/dbraw/zinc/69/86/51/583698651.db2.gz YWHBWRAEHASQGS-NSHDSACASA-N 1 2 233.315 1.779 20 0 BDADLO CCn1cc(C[NH2+]Cc2ncc[nH]2)c(C)n1 ZINC000895703343 583709742 /nfs/dbraw/zinc/70/97/42/583709742.db2.gz ATHJLBINLOUCCD-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO Cc1coc(C[N@@H+]2CCc3ncncc3C2)c1 ZINC000895722782 583712804 /nfs/dbraw/zinc/71/28/04/583712804.db2.gz FZPZGXJDSZHZMX-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1coc(C[N@H+]2CCc3ncncc3C2)c1 ZINC000895722782 583712806 /nfs/dbraw/zinc/71/28/06/583712806.db2.gz FZPZGXJDSZHZMX-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000895722541 583712895 /nfs/dbraw/zinc/71/28/95/583712895.db2.gz JARUXIYCNLXPJI-ONGXEEELSA-N 1 2 235.331 1.699 20 0 BDADLO CC1([NH2+]Cc2nnc(C3CC3)s2)COC1 ZINC000895758917 583721312 /nfs/dbraw/zinc/72/13/12/583721312.db2.gz PQWZOLREMPGPKY-UHFFFAOYSA-N 1 2 225.317 1.294 20 0 BDADLO c1coc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000895757760 583721408 /nfs/dbraw/zinc/72/14/08/583721408.db2.gz ZURSTUNPOYRFAF-UHFFFAOYSA-N 1 2 218.260 1.277 20 0 BDADLO c1coc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000895757760 583721410 /nfs/dbraw/zinc/72/14/10/583721410.db2.gz ZURSTUNPOYRFAF-UHFFFAOYSA-N 1 2 218.260 1.277 20 0 BDADLO Cc1cnc(Cl)c(C[NH2+]C2(C)COC2)c1 ZINC000895758713 583721463 /nfs/dbraw/zinc/72/14/63/583721463.db2.gz MCLCLCYKRGRVGV-UHFFFAOYSA-N 1 2 226.707 1.922 20 0 BDADLO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ncco1 ZINC000895763610 583722650 /nfs/dbraw/zinc/72/26/50/583722650.db2.gz DIRIQFPWZVAQFM-JBLDHEPKSA-N 1 2 235.331 1.808 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC=CO1 ZINC000857947862 588924777 /nfs/dbraw/zinc/92/47/77/588924777.db2.gz DQLKUENICIUIOH-CMPLNLGQSA-N 1 2 247.298 1.007 20 0 BDADLO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857944848 588924873 /nfs/dbraw/zinc/92/48/73/588924873.db2.gz AVEXJNZHPGIMAN-JXPAYYINSA-N 1 2 245.326 1.670 20 0 BDADLO COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCOC1=O ZINC000895808963 583729763 /nfs/dbraw/zinc/72/97/63/583729763.db2.gz ONETWMVZSPSTGP-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000857946995 588924942 /nfs/dbraw/zinc/92/49/42/588924942.db2.gz KAWOIPRHXTWYLV-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO COC1(C[C@H](C)[NH2+][C@H]2CCOC2=O)CCC1 ZINC000895803124 583731345 /nfs/dbraw/zinc/73/13/45/583731345.db2.gz CGORZWRLLCKOFZ-UWVGGRQHSA-N 1 2 227.304 1.239 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977402 588925314 /nfs/dbraw/zinc/92/53/14/588925314.db2.gz DHZRLIRINORAJH-WXLQGSQKSA-N 1 2 219.288 1.800 20 0 BDADLO O=C(/C=C\C1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983738 588925633 /nfs/dbraw/zinc/92/56/33/588925633.db2.gz DCEFGHRXLSAYIV-XOULXFPDSA-N 1 2 217.272 1.410 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000895910297 583745449 /nfs/dbraw/zinc/74/54/49/583745449.db2.gz PDVDWSLDGHMYBZ-WCBMZHEXSA-N 1 2 234.303 1.498 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000895910297 583745451 /nfs/dbraw/zinc/74/54/51/583745451.db2.gz PDVDWSLDGHMYBZ-WCBMZHEXSA-N 1 2 234.303 1.498 20 0 BDADLO O=C(C[C@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976637 588926009 /nfs/dbraw/zinc/92/60/09/588926009.db2.gz IOSJNSHVDPWPSM-NXEZZACHSA-N 1 2 235.287 1.013 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccoc2)[C@@H](C)C(=O)N1C ZINC000895923306 583747155 /nfs/dbraw/zinc/74/71/55/583747155.db2.gz WGIXJFGOZJBUNI-VWYCJHECSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccoc2)[C@@H](C)C(=O)N1C ZINC000895923306 583747156 /nfs/dbraw/zinc/74/71/56/583747156.db2.gz WGIXJFGOZJBUNI-VWYCJHECSA-N 1 2 236.315 1.719 20 0 BDADLO Cc1cc(N2CCOCN2)[nH+]c(C2CCC2)n1 ZINC000895925941 583748053 /nfs/dbraw/zinc/74/80/53/583748053.db2.gz TVNXWJSWZZYSPF-UHFFFAOYSA-N 1 2 234.303 1.351 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857976609 588926326 /nfs/dbraw/zinc/92/63/26/588926326.db2.gz HSSIJVCIUXXPBC-MWLCHTKSSA-N 1 2 233.315 1.880 20 0 BDADLO c1csc(N2CCN(c3cc[nH+]nc3)CC2)n1 ZINC000895960234 583751014 /nfs/dbraw/zinc/75/10/14/583751014.db2.gz QPRCSGILPLUCQB-UHFFFAOYSA-N 1 2 247.327 1.260 20 0 BDADLO Cc1nn(C)cc1C[NH+]1CC(OC(C)C)C1 ZINC000895954610 583752233 /nfs/dbraw/zinc/75/22/33/583752233.db2.gz CBPZCLBLYJZABA-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO CC(C)OC1C[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000895956030 583752572 /nfs/dbraw/zinc/75/25/72/583752572.db2.gz IMKACRZBEFYKOP-UHFFFAOYSA-N 1 2 249.358 1.907 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000857977011 588926829 /nfs/dbraw/zinc/92/68/29/588926829.db2.gz QALABIFUAPJNTP-BFLSOPEQSA-N 1 2 247.298 1.012 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977121 588926832 /nfs/dbraw/zinc/92/68/32/588926832.db2.gz AOLKBIVOTGHSPL-MBACFSSFSA-N 1 2 219.288 1.800 20 0 BDADLO Cc1nscc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979840 588927357 /nfs/dbraw/zinc/92/73/57/588927357.db2.gz FWWNXIFOIKFNLD-VIFPVBQESA-N 1 2 248.311 1.523 20 0 BDADLO COCCOC[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000896038611 583766044 /nfs/dbraw/zinc/76/60/44/583766044.db2.gz UVUNNGJGNRUVNC-SFYZADRCSA-N 1 2 211.252 1.281 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@@H](C)O ZINC000896043297 583767041 /nfs/dbraw/zinc/76/70/41/583767041.db2.gz OWNLINMUODQTCQ-BFLSOPEQSA-N 1 2 241.331 1.077 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)[C@@H](C)O ZINC000896043298 583767062 /nfs/dbraw/zinc/76/70/62/583767062.db2.gz OWNLINMUODQTCQ-WDCWCFNPSA-N 1 2 241.331 1.077 20 0 BDADLO C[C@H](O)c1ccc(NCC[C@@H]2CNC(=O)C2)[nH+]c1 ZINC000896133334 583774837 /nfs/dbraw/zinc/77/48/37/583774837.db2.gz FVQQRFYDLFUPDB-UWVGGRQHSA-N 1 2 249.314 1.073 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H]2CCn3c[nH+]cc32)o1 ZINC000857983424 588928418 /nfs/dbraw/zinc/92/84/18/588928418.db2.gz RLNNSBOIEMGZMW-VIFPVBQESA-N 1 2 246.270 1.363 20 0 BDADLO Cc1ncccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984428 588928788 /nfs/dbraw/zinc/92/87/88/588928788.db2.gz AWHZNMNNDSJDBC-LLVKDONJSA-N 1 2 242.282 1.461 20 0 BDADLO CCC[C@H](O)CCNc1nc[nH+]c(N)c1OC ZINC000896186990 583781160 /nfs/dbraw/zinc/78/11/60/583781160.db2.gz VITUXZMZULRRDU-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BDADLO CCC[C@H](O)CCNc1[nH+]cnc(N)c1OC ZINC000896186990 583781162 /nfs/dbraw/zinc/78/11/62/583781162.db2.gz VITUXZMZULRRDU-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986799 588929128 /nfs/dbraw/zinc/92/91/28/588929128.db2.gz SQVIUMBPEJEXJI-JTQLQIEISA-N 1 2 230.271 1.394 20 0 BDADLO Cc1cnc(F)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000896259714 583786146 /nfs/dbraw/zinc/78/61/46/583786146.db2.gz COAWWEWXZQGTBX-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cn1 ZINC000857988119 588929419 /nfs/dbraw/zinc/92/94/19/588929419.db2.gz BMBNVCCMQVALPV-LLVKDONJSA-N 1 2 242.282 1.461 20 0 BDADLO C/C=C/C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000727865262 583788122 /nfs/dbraw/zinc/78/81/22/583788122.db2.gz MWQFQOYZNDLXFS-NSCUHMNNSA-N 1 2 247.220 1.638 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000214587571 583788208 /nfs/dbraw/zinc/78/82/08/583788208.db2.gz OAORWVPCIHRKRI-IGLBNKAOSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000214587571 583788209 /nfs/dbraw/zinc/78/82/09/583788209.db2.gz OAORWVPCIHRKRI-IGLBNKAOSA-N 1 2 227.304 1.217 20 0 BDADLO O=C(CC1(O)CCCC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857987527 588929481 /nfs/dbraw/zinc/92/94/81/588929481.db2.gz VBFMBCBHVLERKE-JTQLQIEISA-N 1 2 249.314 1.139 20 0 BDADLO CC[C@@](C)(OC)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896314071 583791147 /nfs/dbraw/zinc/79/11/47/583791147.db2.gz QSXAUEYHUNLDND-LLVKDONJSA-N 1 2 239.319 1.892 20 0 BDADLO CC[C@@H](OC)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996847 588929659 /nfs/dbraw/zinc/92/96/59/588929659.db2.gz GWUOEGMYCFDDSV-LLVKDONJSA-N 1 2 249.314 1.574 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CC23CCC3)c1 ZINC000896319397 583791860 /nfs/dbraw/zinc/79/18/60/583791860.db2.gz SLCFDUZIICNDDM-JTQLQIEISA-N 1 2 234.303 1.162 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CC=CCC1 ZINC000857991291 588929759 /nfs/dbraw/zinc/92/97/59/588929759.db2.gz WYELRQKONOLKOS-MNOVXSKESA-N 1 2 231.299 1.800 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)no1 ZINC000857990311 588929784 /nfs/dbraw/zinc/92/97/84/588929784.db2.gz NERULABQOSKMJJ-QMMMGPOBSA-N 1 2 232.243 1.054 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@H]1C[C@@H]1C)CCN2 ZINC000857994063 588929815 /nfs/dbraw/zinc/92/98/15/588929815.db2.gz AYBMXTYRBLJBHO-UWVGGRQHSA-N 1 2 231.299 1.805 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)c1cocn1)CCN2 ZINC000857996983 588929841 /nfs/dbraw/zinc/92/98/41/588929841.db2.gz HGDJUEBPBNTZNJ-UHFFFAOYSA-N 1 2 244.254 1.450 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990223 588930015 /nfs/dbraw/zinc/93/00/15/588930015.db2.gz VYEGLAJBWRKWOU-SNVBAGLBSA-N 1 2 231.255 1.659 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989858 588930214 /nfs/dbraw/zinc/93/02/14/588930214.db2.gz QHHQTZVRNYHFJW-SECBINFHSA-N 1 2 205.261 1.410 20 0 BDADLO COc1ncncc1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896578384 583814589 /nfs/dbraw/zinc/81/45/89/583814589.db2.gz UDEYXUSMCKDULM-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@H+]1CCO[C@@H](C)CC1 ZINC000896578384 583814591 /nfs/dbraw/zinc/81/45/91/583814591.db2.gz UDEYXUSMCKDULM-JTQLQIEISA-N 1 2 237.303 1.096 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc(F)ncc2F)CCO1 ZINC000896578970 583814606 /nfs/dbraw/zinc/81/46/06/583814606.db2.gz YVDTUBBFPHCALA-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc(F)ncc2F)CCO1 ZINC000896578970 583814609 /nfs/dbraw/zinc/81/46/09/583814609.db2.gz YVDTUBBFPHCALA-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnc(F)c2)on1 ZINC000858127691 588934373 /nfs/dbraw/zinc/93/43/73/588934373.db2.gz MPQAQIRBBGBTKO-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ncc(C)o1)C2 ZINC000896654900 583821437 /nfs/dbraw/zinc/82/14/37/583821437.db2.gz QFNJNJMPWMKHAM-UHFFFAOYSA-N 1 2 232.287 1.762 20 0 BDADLO C[C@@H](c1nc(C2CSC2)no1)[NH+](C)C ZINC000896728032 583826960 /nfs/dbraw/zinc/82/69/60/583826960.db2.gz ARILSDIPKXONSO-LURJTMIESA-N 1 2 213.306 1.523 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C)c[nH+]1 ZINC000896758176 583829697 /nfs/dbraw/zinc/82/96/97/583829697.db2.gz NPESSIAUKGUOSH-LLVKDONJSA-N 1 2 235.331 1.938 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C)c[nH+]1 ZINC000896758177 583829802 /nfs/dbraw/zinc/82/98/02/583829802.db2.gz NPESSIAUKGUOSH-NSHDSACASA-N 1 2 235.331 1.938 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000896800012 583835045 /nfs/dbraw/zinc/83/50/45/583835045.db2.gz FKNHPOYDFOLGMS-STQMWFEESA-N 1 2 248.326 1.943 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1c[nH]cn1 ZINC000346944389 583849473 /nfs/dbraw/zinc/84/94/73/583849473.db2.gz FWEYIEWCHHPRRG-UHFFFAOYSA-N 1 2 231.259 1.123 20 0 BDADLO Cc1nc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c(C)o1 ZINC000896909131 583852308 /nfs/dbraw/zinc/85/23/08/583852308.db2.gz BHJDDNBDDUFDPN-UHFFFAOYSA-N 1 2 248.286 1.561 20 0 BDADLO CCOCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920805 583856530 /nfs/dbraw/zinc/85/65/30/583856530.db2.gz SFXBULZQBISFMQ-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO CC[C@@H](OC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920371 583857325 /nfs/dbraw/zinc/85/73/25/583857325.db2.gz DAQHMNUSONZSNK-SECBINFHSA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@]1(C)CCC[C@@H]1[NH2+]CC(=O)NOC ZINC000896924445 583857506 /nfs/dbraw/zinc/85/75/06/583857506.db2.gz MPKKPUVXCNOXKR-GXSJLCMTSA-N 1 2 214.309 1.222 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC000896922978 583857791 /nfs/dbraw/zinc/85/77/91/583857791.db2.gz ABKXTXNSXSNBQM-UWVGGRQHSA-N 1 2 228.336 1.468 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000896925719 583858174 /nfs/dbraw/zinc/85/81/74/583858174.db2.gz OCVSNOIDIKBEJB-QWRGUYRKSA-N 1 2 226.320 1.222 20 0 BDADLO CCC[C@@H]([NH2+]CC(=O)NOC)[C@@H]1CC1(C)C ZINC000896924035 583858403 /nfs/dbraw/zinc/85/84/03/583858403.db2.gz JNZICPCLXNFXGV-VHSXEESVSA-N 1 2 228.336 1.468 20 0 BDADLO CONC(=O)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000896926980 583858458 /nfs/dbraw/zinc/85/84/58/583858458.db2.gz MULBDQJQXBIUSJ-LLVKDONJSA-N 1 2 236.315 1.132 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000896923548 583858767 /nfs/dbraw/zinc/85/87/67/583858767.db2.gz GLDCQPBUELFNTA-ZDUSSCGKSA-N 1 2 248.326 1.201 20 0 BDADLO CCCC[C@H](C)[C@H](C)[NH2+]CC(=O)NOC ZINC000896927344 583859141 /nfs/dbraw/zinc/85/91/41/583859141.db2.gz QDDFCJAFMJGLIY-UWVGGRQHSA-N 1 2 216.325 1.468 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccnc(F)c2)n1 ZINC000858176986 588937475 /nfs/dbraw/zinc/93/74/75/588937475.db2.gz JUEQJLNNOSMYMR-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000897143146 583883115 /nfs/dbraw/zinc/88/31/15/583883115.db2.gz ZAFXJRUXGNAIDC-QWRGUYRKSA-N 1 2 248.330 1.665 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000897143146 583883118 /nfs/dbraw/zinc/88/31/18/583883118.db2.gz ZAFXJRUXGNAIDC-QWRGUYRKSA-N 1 2 248.330 1.665 20 0 BDADLO Nc1nc(N[C@@H]2C[C@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000897177145 583889900 /nfs/dbraw/zinc/88/99/00/583889900.db2.gz KFAWGZKXAHEEJE-OPRDCNLKSA-N 1 2 245.330 1.932 20 0 BDADLO Nc1nc(N[C@@H]2C[C@H]3CCC[C@H]32)[nH+]c(C2CC2)n1 ZINC000897177145 583889903 /nfs/dbraw/zinc/88/99/03/583889903.db2.gz KFAWGZKXAHEEJE-OPRDCNLKSA-N 1 2 245.330 1.932 20 0 BDADLO OCCC1CC(Nc2cc[nH+]c3ccncc23)C1 ZINC000897234485 583898797 /nfs/dbraw/zinc/89/87/97/583898797.db2.gz MOXHKTZIZSACMJ-UHFFFAOYSA-N 1 2 243.310 1.625 20 0 BDADLO O[C@H]1CCN(c2cc[nH+]cc2F)C[C@H]1F ZINC000897379479 583946810 /nfs/dbraw/zinc/94/68/10/583946810.db2.gz IVOCBUFOLPIQBL-SCZZXKLOSA-N 1 2 214.215 1.130 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(F)n1 ZINC000729185614 583963015 /nfs/dbraw/zinc/96/30/15/583963015.db2.gz UYJVBJVZDFNTAP-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNc1cccc(F)n1 ZINC000729185614 583963016 /nfs/dbraw/zinc/96/30/16/583963016.db2.gz UYJVBJVZDFNTAP-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO CCON(CC)C(=O)C[NH2+]Cc1cscn1 ZINC000858219276 588939055 /nfs/dbraw/zinc/93/90/55/588939055.db2.gz GLCYYQXDCIGDQB-UHFFFAOYSA-N 1 2 243.332 1.033 20 0 BDADLO COC/C=C/c1nc(Cc2c[nH+]cn2C)no1 ZINC000866954494 583971284 /nfs/dbraw/zinc/97/12/84/583971284.db2.gz HGJNLMQLDAPZRR-ONEGZZNKSA-N 1 2 234.259 1.054 20 0 BDADLO CCc1cc(N2C[C@H](O)C[C@@H]2C)nc(C)[nH+]1 ZINC000350703832 583975133 /nfs/dbraw/zinc/97/51/33/583975133.db2.gz VRTODNYDYYQQMV-GZMMTYOYSA-N 1 2 221.304 1.307 20 0 BDADLO CCC[C@H](C[NH2+][C@H](CCC)C(=O)OC)OC ZINC000897834715 584052833 /nfs/dbraw/zinc/05/28/33/584052833.db2.gz XVTZZAHVNXTWGQ-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CCNC(=O)O3)cc1 ZINC000897752475 584044045 /nfs/dbraw/zinc/04/40/45/584044045.db2.gz CIFRATHZBVAWIM-UHFFFAOYSA-N 1 2 246.310 1.679 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cnn(CCF)c2)n1 ZINC000897731599 584046088 /nfs/dbraw/zinc/04/60/88/584046088.db2.gz BHOOPCQQTNGIAG-UHFFFAOYSA-N 1 2 237.282 1.174 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2cccc(O)c2)C1 ZINC000897789807 584048184 /nfs/dbraw/zinc/04/81/84/584048184.db2.gz LCHDQHANTVDAHN-UHFFFAOYSA-N 1 2 246.310 1.199 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000897833914 584052496 /nfs/dbraw/zinc/05/24/96/584052496.db2.gz DAFVWLQGRQAFCP-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]2C)c[nH+]1 ZINC000897852549 584054647 /nfs/dbraw/zinc/05/46/47/584054647.db2.gz FQDDECVBSMPWOF-MWLCHTKSSA-N 1 2 235.331 1.793 20 0 BDADLO C[C@@]1([NH2+]Cc2nc(Cl)cs2)CCNC1=O ZINC000897868301 584054992 /nfs/dbraw/zinc/05/49/92/584054992.db2.gz HVYAQEMFFGLJII-SECBINFHSA-N 1 2 245.735 1.165 20 0 BDADLO CC1(C)CCC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000898049499 584073789 /nfs/dbraw/zinc/07/37/89/584073789.db2.gz HSBCJZPFQNEOLJ-NSHDSACASA-N 1 2 223.320 1.847 20 0 BDADLO COc1nn(C)cc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000898025622 584075692 /nfs/dbraw/zinc/07/56/92/584075692.db2.gz NZMAPMPDLSUTNY-UHFFFAOYSA-N 1 2 249.318 1.058 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1occc1C ZINC000898029106 584076419 /nfs/dbraw/zinc/07/64/19/584076419.db2.gz GGLPUIVUXHBKFJ-UHFFFAOYSA-N 1 2 235.287 1.620 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cn(C)nc2OC)o1 ZINC000898029577 584077615 /nfs/dbraw/zinc/07/76/15/584077615.db2.gz WTJAINCAHORLPW-UHFFFAOYSA-N 1 2 249.314 1.874 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cn(C)cn1 ZINC000898042101 584080052 /nfs/dbraw/zinc/08/00/52/584080052.db2.gz IOGXOYAJUOXVAH-UHFFFAOYSA-N 1 2 233.319 1.316 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000898043725 584081528 /nfs/dbraw/zinc/08/15/28/584081528.db2.gz ZDCNOMTUMWUHAV-UHFFFAOYSA-N 1 2 245.330 1.316 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000898132558 584084775 /nfs/dbraw/zinc/08/47/75/584084775.db2.gz KZSQCWHQDWPDRI-HTQZYQBOSA-N 1 2 232.243 1.448 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000898132558 584084777 /nfs/dbraw/zinc/08/47/77/584084777.db2.gz KZSQCWHQDWPDRI-HTQZYQBOSA-N 1 2 232.243 1.448 20 0 BDADLO COc1ccsc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898186050 584093397 /nfs/dbraw/zinc/09/33/97/584093397.db2.gz AIYMIJNBANQNQN-IUCAKERBSA-N 1 2 245.319 1.661 20 0 BDADLO COc1ccsc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898186050 584093400 /nfs/dbraw/zinc/09/34/00/584093400.db2.gz AIYMIJNBANQNQN-IUCAKERBSA-N 1 2 245.319 1.661 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898182843 584093461 /nfs/dbraw/zinc/09/34/61/584093461.db2.gz GRRSOYBLJIGRDB-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898182843 584093462 /nfs/dbraw/zinc/09/34/62/584093462.db2.gz GRRSOYBLJIGRDB-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186751 584094403 /nfs/dbraw/zinc/09/44/03/584094403.db2.gz FLAONZVRVWOUQN-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898186751 584094404 /nfs/dbraw/zinc/09/44/04/584094404.db2.gz FLAONZVRVWOUQN-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898188658 584094637 /nfs/dbraw/zinc/09/46/37/584094637.db2.gz SNVLUJRITOEVOU-VXGBXAGGSA-N 1 2 227.279 1.747 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898188658 584094638 /nfs/dbraw/zinc/09/46/38/584094638.db2.gz SNVLUJRITOEVOU-VXGBXAGGSA-N 1 2 227.279 1.747 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898188655 584094869 /nfs/dbraw/zinc/09/48/69/584094869.db2.gz SNVLUJRITOEVOU-NEPJUHHUSA-N 1 2 227.279 1.747 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898188655 584094871 /nfs/dbraw/zinc/09/48/71/584094871.db2.gz SNVLUJRITOEVOU-NEPJUHHUSA-N 1 2 227.279 1.747 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cn1 ZINC000898194416 584096465 /nfs/dbraw/zinc/09/64/65/584096465.db2.gz YUVNKKPSEZIEHJ-NEPJUHHUSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cn1 ZINC000898194416 584096467 /nfs/dbraw/zinc/09/64/67/584096467.db2.gz YUVNKKPSEZIEHJ-NEPJUHHUSA-N 1 2 241.310 1.369 20 0 BDADLO COC[C@H](C)C[NH2+]c1ccc(OC)c(N)c1 ZINC000841039837 584116207 /nfs/dbraw/zinc/11/62/07/584116207.db2.gz CMEZEURVLRBMMD-SECBINFHSA-N 1 2 224.304 1.972 20 0 BDADLO Cc1nc(N2CC[C@H]3CSC[C@H]3C2)cc[nH+]1 ZINC000866204763 584116468 /nfs/dbraw/zinc/11/64/68/584116468.db2.gz ZMYXTBWNSBGGAL-WDEREUQCSA-N 1 2 235.356 1.974 20 0 BDADLO COCc1cc(C[NH2+]C/C=C\Cl)no1 ZINC000898430037 584134507 /nfs/dbraw/zinc/13/45/07/584134507.db2.gz SWMSCKGKVLPRHR-IHWYPQMZSA-N 1 2 216.668 1.663 20 0 BDADLO COc1cc(N[C@@H](C)c2[nH]cc[nH+]2)cnc1OC ZINC000858483061 588959677 /nfs/dbraw/zinc/95/96/77/588959677.db2.gz XQEQSJACBDPZMO-QMMMGPOBSA-N 1 2 248.286 1.995 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccoc1 ZINC000898485763 584139347 /nfs/dbraw/zinc/13/93/47/584139347.db2.gz NJZDUSJMCFLQAI-NSHDSACASA-N 1 2 240.278 1.443 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccoc1 ZINC000898485763 584139349 /nfs/dbraw/zinc/13/93/49/584139349.db2.gz NJZDUSJMCFLQAI-NSHDSACASA-N 1 2 240.278 1.443 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494062 584140236 /nfs/dbraw/zinc/14/02/36/584140236.db2.gz DWOTULMQKNRZIZ-NWDGAFQWSA-N 1 2 244.354 1.829 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494062 584140239 /nfs/dbraw/zinc/14/02/39/584140239.db2.gz DWOTULMQKNRZIZ-NWDGAFQWSA-N 1 2 244.354 1.829 20 0 BDADLO C[C@H]1CCN(C(=O)NCc2cn(C)c[nH+]2)[C@H]1C ZINC000898626218 584147590 /nfs/dbraw/zinc/14/75/90/584147590.db2.gz CWMQVDMUFSHCQT-UWVGGRQHSA-N 1 2 236.319 1.360 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@H]2CC23CCCC3)c1 ZINC000898620741 584147768 /nfs/dbraw/zinc/14/77/68/584147768.db2.gz SNRGYRNTJZJKQV-NSHDSACASA-N 1 2 248.330 1.552 20 0 BDADLO CC(F)(F)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906164 584165041 /nfs/dbraw/zinc/16/50/41/584165041.db2.gz CKEDDUFBPOBFEU-UHFFFAOYSA-N 1 2 245.273 1.780 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899199074 584180125 /nfs/dbraw/zinc/18/01/25/584180125.db2.gz FPZKNIWPRKTUGW-HBNTYKKESA-N 1 2 231.299 1.596 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899199074 584180127 /nfs/dbraw/zinc/18/01/27/584180127.db2.gz FPZKNIWPRKTUGW-HBNTYKKESA-N 1 2 231.299 1.596 20 0 BDADLO CCn1c[nH+]c(C=Cc2nc(C)cc(=O)[nH]2)c1 ZINC000899372878 584208116 /nfs/dbraw/zinc/20/81/16/584208116.db2.gz YKMHDDHDNFYPCW-SNAWJCMRSA-N 1 2 230.271 1.877 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000899408924 584213451 /nfs/dbraw/zinc/21/34/51/584213451.db2.gz UESPNIAIBXRUDJ-RHYQMDGZSA-N 1 2 247.342 1.751 20 0 BDADLO CC(C)CNC(=S)NCc1cn(C)c[nH+]1 ZINC000899669697 584223281 /nfs/dbraw/zinc/22/32/81/584223281.db2.gz AOJRQMDYXHIOBC-UHFFFAOYSA-N 1 2 226.349 1.040 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1(C2CC2)CCC1 ZINC000899824222 584240645 /nfs/dbraw/zinc/24/06/45/584240645.db2.gz UTMNWTOXOGTMTL-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1(C2CC2)CCC1 ZINC000899824222 584240647 /nfs/dbraw/zinc/24/06/47/584240647.db2.gz UTMNWTOXOGTMTL-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO C/C(=C(/F)C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000899905313 584251114 /nfs/dbraw/zinc/25/11/14/584251114.db2.gz VLMXTVXRILDZNH-LUAWRHEFSA-N 1 2 226.295 1.414 20 0 BDADLO CCCCOCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000899936218 584257664 /nfs/dbraw/zinc/25/76/64/584257664.db2.gz WLVPNDYTYBGFPR-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CCCCOCCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000899936218 584257665 /nfs/dbraw/zinc/25/76/65/584257665.db2.gz WLVPNDYTYBGFPR-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000858587058 588969509 /nfs/dbraw/zinc/96/95/09/588969509.db2.gz NDWHDYGSJPLTHY-JGVFFNPUSA-N 1 2 243.332 1.202 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC[C@H]1CCCO1 ZINC000900100223 584273876 /nfs/dbraw/zinc/27/38/76/584273876.db2.gz BBMQACYRABAXCJ-LLVKDONJSA-N 1 2 249.314 1.179 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)CNc1cccc[nH+]1 ZINC000900116694 584274300 /nfs/dbraw/zinc/27/43/00/584274300.db2.gz VAVUQSWSHPOUNQ-NSHDSACASA-N 1 2 235.331 1.996 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC1(Cl)Cl ZINC000900120958 584275392 /nfs/dbraw/zinc/27/53/92/584275392.db2.gz LREPFJYSGICCKE-ZCFIWIBFSA-N 1 2 248.113 1.262 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CC1(Cl)Cl ZINC000900120958 584275394 /nfs/dbraw/zinc/27/53/94/584275394.db2.gz LREPFJYSGICCKE-ZCFIWIBFSA-N 1 2 248.113 1.262 20 0 BDADLO O=C(CCF)NCc1cccnc1-n1cc[nH+]c1 ZINC000900112167 584276610 /nfs/dbraw/zinc/27/66/10/584276610.db2.gz SXWFEXAELIPRJA-UHFFFAOYSA-N 1 2 248.261 1.243 20 0 BDADLO CCCN(C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900426893 584307909 /nfs/dbraw/zinc/30/79/09/584307909.db2.gz OBABFRFAKVECMX-BENRWUELSA-N 1 2 240.347 1.133 20 0 BDADLO CC[C@H](O)[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000900455353 584313381 /nfs/dbraw/zinc/31/33/81/584313381.db2.gz RMLKMEAAWPBWGO-SCZZXKLOSA-N 1 2 238.287 1.436 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC1CCOCC1 ZINC000900469439 584314452 /nfs/dbraw/zinc/31/44/52/584314452.db2.gz WSLOEDKMEWGCML-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C1CCC1 ZINC000900548796 584321239 /nfs/dbraw/zinc/32/12/39/584321239.db2.gz GUJGWLCNAXAWOR-GFCCVEGCSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCF)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900561946 584324940 /nfs/dbraw/zinc/32/49/40/584324940.db2.gz ISBPWILUWGXQPS-JTQLQIEISA-N 1 2 225.267 1.406 20 0 BDADLO CC(C)(C)[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900576252 584327214 /nfs/dbraw/zinc/32/72/14/584327214.db2.gz AFLYCWAMCBCJTJ-NSHDSACASA-N 1 2 235.331 1.989 20 0 BDADLO CCC/C=C/[C@@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900625767 584332842 /nfs/dbraw/zinc/33/28/42/584332842.db2.gz NQKBIFINIYBAQM-BRAIEQGRSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000900698076 584340719 /nfs/dbraw/zinc/34/07/19/584340719.db2.gz JBVMKXMSJODAIF-SCVCMEIPSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000900698076 584340720 /nfs/dbraw/zinc/34/07/20/584340720.db2.gz JBVMKXMSJODAIF-SCVCMEIPSA-N 1 2 235.331 1.893 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)NCC1(C)COC1 ZINC000900679891 584340969 /nfs/dbraw/zinc/34/09/69/584340969.db2.gz AXFSHTAVDDXMMR-UHFFFAOYSA-N 1 2 249.314 1.198 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000900722513 584345267 /nfs/dbraw/zinc/34/52/67/584345267.db2.gz JKUZYWOFYBWAPK-SECBINFHSA-N 1 2 223.320 1.751 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000900722513 584345269 /nfs/dbraw/zinc/34/52/69/584345269.db2.gz JKUZYWOFYBWAPK-SECBINFHSA-N 1 2 223.320 1.751 20 0 BDADLO CSCCCNC(=O)CNc1cccc[nH+]1 ZINC000900757484 584346117 /nfs/dbraw/zinc/34/61/17/584346117.db2.gz KIYJWBZKPCQHHD-UHFFFAOYSA-N 1 2 239.344 1.363 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCc1c[nH+]c[nH]1 ZINC000900779569 584350100 /nfs/dbraw/zinc/35/01/00/584350100.db2.gz CFYNSYKEWLBCFS-UHFFFAOYSA-N 1 2 223.276 1.031 20 0 BDADLO CCC(C)(C)C(=O)C(=O)NCc1c[nH]c[nH+]1 ZINC000900779569 584350101 /nfs/dbraw/zinc/35/01/01/584350101.db2.gz CFYNSYKEWLBCFS-UHFFFAOYSA-N 1 2 223.276 1.031 20 0 BDADLO CC1(C)CCN1C(=O)CNc1cccc[nH+]1 ZINC000900788831 584351978 /nfs/dbraw/zinc/35/19/78/584351978.db2.gz ZFLJLRJLDNTXRE-UHFFFAOYSA-N 1 2 219.288 1.504 20 0 BDADLO CN(Cc1ccon1)C(=O)CNc1cccc[nH+]1 ZINC000900793528 584352412 /nfs/dbraw/zinc/35/24/12/584352412.db2.gz MWHXBZGIYIGPOJ-UHFFFAOYSA-N 1 2 246.270 1.140 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H](C)C1 ZINC000900794734 584352428 /nfs/dbraw/zinc/35/24/28/584352428.db2.gz HHTZSOHMKHQADO-URLYPYJESA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C[C@@H](C)C1 ZINC000900794734 584352430 /nfs/dbraw/zinc/35/24/30/584352430.db2.gz HHTZSOHMKHQADO-URLYPYJESA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CC(NC(=O)Cc2c[nH]c[nH+]2)C[C@@H](C)C1 ZINC000900794735 584352645 /nfs/dbraw/zinc/35/26/45/584352645.db2.gz HHTZSOHMKHQADO-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CC(NC(=O)Cc2c[nH+]c[nH]2)C[C@@H](C)C1 ZINC000900794735 584352646 /nfs/dbraw/zinc/35/26/46/584352646.db2.gz HHTZSOHMKHQADO-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000900832386 584355201 /nfs/dbraw/zinc/35/52/01/584355201.db2.gz WKNMIKMCBSQSHG-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO CS[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900862390 584358624 /nfs/dbraw/zinc/35/86/24/584358624.db2.gz HCCSAVZNUZUZOY-WCBMZHEXSA-N 1 2 239.344 1.353 20 0 BDADLO CS[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900862390 584358625 /nfs/dbraw/zinc/35/86/25/584358625.db2.gz HCCSAVZNUZUZOY-WCBMZHEXSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1C ZINC000900896796 584362620 /nfs/dbraw/zinc/36/26/20/584362620.db2.gz XPUOTCRMSZAQQL-GHMZBOCLSA-N 1 2 233.315 1.608 20 0 BDADLO CO[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000900909797 584365281 /nfs/dbraw/zinc/36/52/81/584365281.db2.gz CNKGPKWJAMALTR-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO CO[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000900909797 584365284 /nfs/dbraw/zinc/36/52/84/584365284.db2.gz CNKGPKWJAMALTR-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)N(C)c1cn[nH]c1 ZINC000900914251 584365552 /nfs/dbraw/zinc/36/55/52/584365552.db2.gz FZTFQXLMNSXMCV-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO Cc1cc(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)on1 ZINC000901001471 584372834 /nfs/dbraw/zinc/37/28/34/584372834.db2.gz WJCWLEXXDIQZPH-UHFFFAOYSA-N 1 2 248.286 1.182 20 0 BDADLO C[C@@H]1OCCN(C(=O)CNc2cccc[nH+]2)[C@H]1C ZINC000901099134 584385180 /nfs/dbraw/zinc/38/51/80/584385180.db2.gz ABFDRUISETYIFR-QWRGUYRKSA-N 1 2 249.314 1.129 20 0 BDADLO CC(C)N(CC(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000901115631 584386156 /nfs/dbraw/zinc/38/61/56/584386156.db2.gz CFZZSCAWTVJHGC-UHFFFAOYSA-N 1 2 231.246 1.454 20 0 BDADLO CCCOC(=O)NCc1cn2ccccc2[nH+]1 ZINC000858882744 588981768 /nfs/dbraw/zinc/98/17/68/588981768.db2.gz SHRQEVFQBKSYNO-UHFFFAOYSA-N 1 2 233.271 1.971 20 0 BDADLO CC[C@@H](CSC)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000901318114 584429475 /nfs/dbraw/zinc/42/94/75/584429475.db2.gz PXAUMFVHNQZVGD-JTQLQIEISA-N 1 2 241.360 1.552 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)N1CC=CCC1 ZINC000901359576 584432645 /nfs/dbraw/zinc/43/26/45/584432645.db2.gz FXPHMPGWMJBJJN-UHFFFAOYSA-N 1 2 231.299 1.834 20 0 BDADLO c1c[nH+]c(COCCOC2CCSCC2)[nH]1 ZINC000901527449 584458812 /nfs/dbraw/zinc/45/88/12/584458812.db2.gz GCAVCDXZFJKRGT-UHFFFAOYSA-N 1 2 242.344 1.839 20 0 BDADLO CC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C(=O)OC ZINC000901663338 584477245 /nfs/dbraw/zinc/47/72/45/584477245.db2.gz NIKZLDNLVJWYMR-YLXHPXFOSA-N 1 2 241.331 1.485 20 0 BDADLO CCCC[C@H](NCc1cn(C)c[nH+]1)C(=O)OC ZINC000901683470 584480721 /nfs/dbraw/zinc/48/07/21/584480721.db2.gz MMWQMWFMTQRLHV-NSHDSACASA-N 1 2 239.319 1.242 20 0 BDADLO Cc1[nH]c(CNc2ncn(C(C)(C)C)n2)[nH+]c1C ZINC000902063341 584521874 /nfs/dbraw/zinc/52/18/74/584521874.db2.gz CTXRRBQSAONGOE-UHFFFAOYSA-N 1 2 248.334 1.985 20 0 BDADLO Cn1cc(CNc2cc[nH+]cc2F)c(C2CC2)n1 ZINC000902066736 584523106 /nfs/dbraw/zinc/52/31/06/584523106.db2.gz SHTRKWBGJAKUHX-UHFFFAOYSA-N 1 2 246.289 1.866 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)nn1C ZINC000902125113 584528997 /nfs/dbraw/zinc/52/89/97/584528997.db2.gz NDDUGVWGTCLVSO-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1nc(NCc2c(Cl)cnn2C)cc[nH+]1 ZINC000902126224 584529346 /nfs/dbraw/zinc/52/93/46/584529346.db2.gz YJQZEYSDPMFOLZ-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO CCn1c[nH+]c(CNc2cc(C)nn2CCO)c1 ZINC000902170702 584534680 /nfs/dbraw/zinc/53/46/80/584534680.db2.gz LVFMVCPBGMMUHT-UHFFFAOYSA-N 1 2 249.318 1.012 20 0 BDADLO CCn1c[nH+]cc1CNc1ncncc1OC ZINC000902217428 584539518 /nfs/dbraw/zinc/53/95/18/584539518.db2.gz GNFBCFIEGNSABF-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO COc1cncnc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000902218019 584539785 /nfs/dbraw/zinc/53/97/85/584539785.db2.gz KNTGHZOCPUWVNO-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO COC[C@@H](CO[NH+]=C(N)COC(C)C)C(C)C ZINC000902220184 584540614 /nfs/dbraw/zinc/54/06/14/584540614.db2.gz BIZKUGHIKHHUHF-NSHDSACASA-N 1 2 246.351 1.828 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](CN1CCOC1=O)C2 ZINC000902233700 584542519 /nfs/dbraw/zinc/54/25/19/584542519.db2.gz PXXGFMMDAWGCFR-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](CN1CCOC1=O)C2 ZINC000902233700 584542521 /nfs/dbraw/zinc/54/25/21/584542521.db2.gz PXXGFMMDAWGCFR-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)c(=O)n(C)c1 ZINC000902256959 584544859 /nfs/dbraw/zinc/54/48/59/584544859.db2.gz XEZGITGQPFCLPY-UHFFFAOYSA-N 1 2 232.287 1.039 20 0 BDADLO CCc1cc(C[NH2+]Cc2cn(CC)cn2)[nH]n1 ZINC000902244758 584546419 /nfs/dbraw/zinc/54/64/19/584546419.db2.gz YEEIEKMXTBMNEM-UHFFFAOYSA-N 1 2 233.319 1.478 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](CN2CCOC2=O)CCO1 ZINC000902244143 584546503 /nfs/dbraw/zinc/54/65/03/584546503.db2.gz UXILWKFTCMISGY-JTQLQIEISA-N 1 2 242.319 1.143 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](CN2CCOC2=O)CCO1 ZINC000902244143 584546504 /nfs/dbraw/zinc/54/65/04/584546504.db2.gz UXILWKFTCMISGY-JTQLQIEISA-N 1 2 242.319 1.143 20 0 BDADLO Cc1cnn(Cc2ccc(N(C)C)[nH+]c2)c1 ZINC000902265214 584549258 /nfs/dbraw/zinc/54/92/58/584549258.db2.gz XIXCPIRNJPYLSH-UHFFFAOYSA-N 1 2 216.288 1.701 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1CN1CCOC1=O ZINC000902303770 584554615 /nfs/dbraw/zinc/55/46/15/584554615.db2.gz ZQOVFYDCCMMAPS-SNVBAGLBSA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1CN1CCOC1=O ZINC000902303770 584554618 /nfs/dbraw/zinc/55/46/18/584554618.db2.gz ZQOVFYDCCMMAPS-SNVBAGLBSA-N 1 2 242.319 1.286 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCOC[C@H]2C)c(C)[nH+]1 ZINC000902345565 584558510 /nfs/dbraw/zinc/55/85/10/584558510.db2.gz FGGZSNDHFWTZNB-LLVKDONJSA-N 1 2 248.326 1.868 20 0 BDADLO Nc1ccc(Cn2nc(C3CC3)ccc2=O)c[nH+]1 ZINC000902377954 584568376 /nfs/dbraw/zinc/56/83/76/584568376.db2.gz YTOWSZXJRFHNBY-UHFFFAOYSA-N 1 2 242.282 1.146 20 0 BDADLO c1cc(OC[C@@H]2C[C@@]23CCOC3)cc[nH+]1 ZINC000902357593 584569838 /nfs/dbraw/zinc/56/98/38/584569838.db2.gz VSEUAOVMVUGOMG-CMPLNLGQSA-N 1 2 205.257 1.887 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccnc(F)c2)C[C@@H](C)O1 ZINC000859056801 588995078 /nfs/dbraw/zinc/99/50/78/588995078.db2.gz ZYYDCZBDRHCYPW-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@]12CCOC2)[C@H]1CCCO1 ZINC000902384053 584577569 /nfs/dbraw/zinc/57/75/69/584577569.db2.gz YFRJKSFSXVZRSI-UMNHJUIQSA-N 1 2 240.303 1.090 20 0 BDADLO NC(=[NH+]OC[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCCO1 ZINC000902383531 584577571 /nfs/dbraw/zinc/57/75/71/584577571.db2.gz UDDTWOAWODLHSP-QCNOEVLYSA-N 1 2 236.315 1.876 20 0 BDADLO c1c[nH+]c(COC[C@@H]2C[C@]23CCOC3)[nH]1 ZINC000902396371 584585284 /nfs/dbraw/zinc/58/52/84/584585284.db2.gz JUELHOSXPNHFIH-ONGXEEELSA-N 1 2 208.261 1.353 20 0 BDADLO CCc1cnn(Cc2ccc(N(C)C)[nH+]c2)c1 ZINC000902487992 584626982 /nfs/dbraw/zinc/62/69/82/584626982.db2.gz GIHDTQHYZZKCRZ-UHFFFAOYSA-N 1 2 230.315 1.955 20 0 BDADLO NC(Cc1ccccc1F)=[NH+]O[C@@H]1CCOC1 ZINC000902623349 584645034 /nfs/dbraw/zinc/64/50/34/584645034.db2.gz PQVZIGMPEUGZKP-SNVBAGLBSA-N 1 2 238.262 1.656 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000902631376 584646753 /nfs/dbraw/zinc/64/67/53/584646753.db2.gz GZIUVLRMVOHGOE-LLVKDONJSA-N 1 2 249.339 1.636 20 0 BDADLO OC[C@H]1CC[N@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000902631376 584646755 /nfs/dbraw/zinc/64/67/55/584646755.db2.gz GZIUVLRMVOHGOE-LLVKDONJSA-N 1 2 249.339 1.636 20 0 BDADLO O=C1C[C@H](COc2ccc3c[nH+]ccc3c2)CN1 ZINC000902637039 584648042 /nfs/dbraw/zinc/64/80/42/584648042.db2.gz GPAAQXQONDFBDG-JTQLQIEISA-N 1 2 242.278 1.750 20 0 BDADLO Cc1nnc(CCO[NH+]=C(N)c2ccccc2)o1 ZINC000902686282 584656035 /nfs/dbraw/zinc/65/60/35/584656035.db2.gz YZWSDOCCNBVIOK-UHFFFAOYSA-N 1 2 246.270 1.467 20 0 BDADLO Cc1cc(C)[nH+]c(Cn2cc(C(N)=O)cn2)c1 ZINC000902719770 584658314 /nfs/dbraw/zinc/65/83/14/584658314.db2.gz SZONSACUDQMLBX-UHFFFAOYSA-N 1 2 230.271 1.042 20 0 BDADLO C[C@H](O[NH+]=C(N)CCO)c1ccccc1 ZINC000902729531 584661996 /nfs/dbraw/zinc/66/19/96/584661996.db2.gz XJCHALZGHXOAKX-VIFPVBQESA-N 1 2 208.261 1.628 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCC[C@H](F)C2)CCO1 ZINC000902994503 584712391 /nfs/dbraw/zinc/71/23/91/584712391.db2.gz DCGKABNVFZMKDT-RYUDHWBXSA-N 1 2 230.327 1.141 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCC[C@H](F)C2)CCO1 ZINC000902994503 584712393 /nfs/dbraw/zinc/71/23/93/584712393.db2.gz DCGKABNVFZMKDT-RYUDHWBXSA-N 1 2 230.327 1.141 20 0 BDADLO O=S1(=O)CC[C@@H](CC[N@H+]2CCC[C@H](F)C2)C1 ZINC000902996171 584713897 /nfs/dbraw/zinc/71/38/97/584713897.db2.gz QQXXTYGZZBVIRJ-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CC[C@@H](CC[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902996171 584713898 /nfs/dbraw/zinc/71/38/98/584713898.db2.gz QQXXTYGZZBVIRJ-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902997082 584714318 /nfs/dbraw/zinc/71/43/18/584714318.db2.gz PYGPARFMPAXHEP-NEPJUHHUSA-N 1 2 236.290 1.647 20 0 BDADLO NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](F)C1 ZINC000902997082 584714319 /nfs/dbraw/zinc/71/43/19/584714319.db2.gz PYGPARFMPAXHEP-NEPJUHHUSA-N 1 2 236.290 1.647 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903000423 584715501 /nfs/dbraw/zinc/71/55/01/584715501.db2.gz GBEKCTYFUHRFIX-VIFPVBQESA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903000423 584715503 /nfs/dbraw/zinc/71/55/03/584715503.db2.gz GBEKCTYFUHRFIX-VIFPVBQESA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001113 584715796 /nfs/dbraw/zinc/71/57/96/584715796.db2.gz KGKFQSKEGANDHH-HBNTYKKESA-N 1 2 230.327 1.724 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001113 584715798 /nfs/dbraw/zinc/71/57/98/584715798.db2.gz KGKFQSKEGANDHH-HBNTYKKESA-N 1 2 230.327 1.724 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](F)C1)NC1CCCC1 ZINC000903004031 584716755 /nfs/dbraw/zinc/71/67/55/584716755.db2.gz YFCBCWXWCQZUDA-JTQLQIEISA-N 1 2 228.311 1.479 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](F)C1)NC1CCCC1 ZINC000903004031 584716757 /nfs/dbraw/zinc/71/67/57/584716757.db2.gz YFCBCWXWCQZUDA-JTQLQIEISA-N 1 2 228.311 1.479 20 0 BDADLO CCOCC[N@H+](CC)Cc1cc(Cl)n(C)n1 ZINC000859134075 589007183 /nfs/dbraw/zinc/00/71/83/589007183.db2.gz NKRPXYLJTOGEIK-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cc(Cl)n(C)n1 ZINC000859134075 589007185 /nfs/dbraw/zinc/00/71/85/589007185.db2.gz NKRPXYLJTOGEIK-UHFFFAOYSA-N 1 2 245.754 1.932 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000903299800 584744224 /nfs/dbraw/zinc/74/42/24/584744224.db2.gz RNCBXVDGIXCMBH-GGZOMVNGSA-N 1 2 239.319 1.173 20 0 BDADLO C[C@H]1CCCC[C@@H]1OCCN1CC=CC[NH2+]1 ZINC000903488541 584780458 /nfs/dbraw/zinc/78/04/58/584780458.db2.gz ISVOMHBWHLRONA-STQMWFEESA-N 1 2 224.348 1.958 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccc(N)nn2)nc1 ZINC000904341222 584867049 /nfs/dbraw/zinc/86/70/49/584867049.db2.gz LCERYMMNOVRROH-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccc(N)nn2)nc1 ZINC000904341222 584867050 /nfs/dbraw/zinc/86/70/50/584867050.db2.gz LCERYMMNOVRROH-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO CC(C)c1cnc(C[NH2+][C@@H]2CNOC2)s1 ZINC000904424065 584880896 /nfs/dbraw/zinc/88/08/96/584880896.db2.gz CTEWAGVPWDXLKW-MRVPVSSYSA-N 1 2 227.333 1.260 20 0 BDADLO O=C1OCCN1CCC[N@@H+](CC(F)F)C1CC1 ZINC000730266262 584897629 /nfs/dbraw/zinc/89/76/29/584897629.db2.gz RVXDTVXDGHHNCW-UHFFFAOYSA-N 1 2 248.273 1.558 20 0 BDADLO O=C1OCCN1CCC[N@H+](CC(F)F)C1CC1 ZINC000730266262 584897631 /nfs/dbraw/zinc/89/76/31/584897631.db2.gz RVXDTVXDGHHNCW-UHFFFAOYSA-N 1 2 248.273 1.558 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000830468569 584908373 /nfs/dbraw/zinc/90/83/73/584908373.db2.gz KHFHFXIGSXVADG-UWVGGRQHSA-N 1 2 239.319 1.777 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000830468569 584908374 /nfs/dbraw/zinc/90/83/74/584908374.db2.gz KHFHFXIGSXVADG-UWVGGRQHSA-N 1 2 239.319 1.777 20 0 BDADLO Cc1cc(C)c(CNC(=O)N2C[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000889199931 584912860 /nfs/dbraw/zinc/91/28/60/584912860.db2.gz VGPGWRLQQSKZQQ-TXEJJXNPSA-N 1 2 245.326 1.860 20 0 BDADLO OCCCc1cn(-c2ncnc3c2CCC3)c[nH+]1 ZINC000732042327 584933183 /nfs/dbraw/zinc/93/31/83/584933183.db2.gz DQIYOTHNBRCGKI-UHFFFAOYSA-N 1 2 244.298 1.076 20 0 BDADLO CCC[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800139363 584941482 /nfs/dbraw/zinc/94/14/82/584941482.db2.gz YSKGLSNNRVZZTR-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800139363 584941483 /nfs/dbraw/zinc/94/14/83/584941483.db2.gz YSKGLSNNRVZZTR-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@H](C)CC2=O)C[C@H](C)O1 ZINC000733297165 584946549 /nfs/dbraw/zinc/94/65/49/584946549.db2.gz WRJQPWXEQYVZAM-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@H](C)CC2=O)C[C@H](C)O1 ZINC000733297165 584946550 /nfs/dbraw/zinc/94/65/50/584946550.db2.gz WRJQPWXEQYVZAM-GRYCIOLGSA-N 1 2 240.347 1.312 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000733995206 584956193 /nfs/dbraw/zinc/95/61/93/584956193.db2.gz DQIFQGVZQVULHX-GFCCVEGCSA-N 1 2 225.263 1.190 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn[nH]n1 ZINC000734539837 584963611 /nfs/dbraw/zinc/96/36/11/584963611.db2.gz TYKFODDUYUVYIJ-VIFPVBQESA-N 1 2 217.276 1.183 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn[nH]n1 ZINC000734539837 584963612 /nfs/dbraw/zinc/96/36/12/584963612.db2.gz TYKFODDUYUVYIJ-VIFPVBQESA-N 1 2 217.276 1.183 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@@H]1C1CC1 ZINC000771996218 585011909 /nfs/dbraw/zinc/01/19/09/585011909.db2.gz OXRGHIDUSOVXGV-MNOVXSKESA-N 1 2 220.272 1.472 20 0 BDADLO O=C(CCCn1cc[nH+]c1)OCc1cnccn1 ZINC000741939501 585015043 /nfs/dbraw/zinc/01/50/43/585015043.db2.gz DKKFOVQPHFKFSA-UHFFFAOYSA-N 1 2 246.270 1.197 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@](C)(O)CC ZINC000821308057 585015952 /nfs/dbraw/zinc/01/59/52/585015952.db2.gz JMSKGLWWBBDCJT-JOYOIKCWSA-N 1 2 239.319 1.241 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CCC=CCC2)c1 ZINC000890100346 585023021 /nfs/dbraw/zinc/02/30/21/585023021.db2.gz SUFNMBGOCKKMQJ-UHFFFAOYSA-N 1 2 233.315 1.783 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC2(C)C)c1 ZINC000890109361 585023783 /nfs/dbraw/zinc/02/37/83/585023783.db2.gz LMZIVQODJYLIAA-VIFPVBQESA-N 1 2 207.277 1.082 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(C)CCCC2)c1 ZINC000890114767 585024075 /nfs/dbraw/zinc/02/40/75/585024075.db2.gz YBUQCSKBFIHDHM-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C/C(C)(C)C)c1 ZINC000890114225 585024077 /nfs/dbraw/zinc/02/40/77/585024077.db2.gz YWCRLNQPZKLKBQ-AATRIKPKSA-N 1 2 221.304 1.639 20 0 BDADLO C[N@@H+]1CCC[C@H]1[C@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522928 585035125 /nfs/dbraw/zinc/03/51/25/585035125.db2.gz REBNASDCCHHDKI-NWDGAFQWSA-N 1 2 240.347 1.410 20 0 BDADLO C[N@H+]1CCC[C@H]1[C@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522928 585035126 /nfs/dbraw/zinc/03/51/26/585035126.db2.gz REBNASDCCHHDKI-NWDGAFQWSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@H]1[C@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000737522928 585035127 /nfs/dbraw/zinc/03/51/27/585035127.db2.gz REBNASDCCHHDKI-NWDGAFQWSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@H]1[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000737522928 585035128 /nfs/dbraw/zinc/03/51/28/585035128.db2.gz REBNASDCCHHDKI-NWDGAFQWSA-N 1 2 240.347 1.410 20 0 BDADLO C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522934 585035149 /nfs/dbraw/zinc/03/51/49/585035149.db2.gz REBNASDCCHHDKI-VXGBXAGGSA-N 1 2 240.347 1.410 20 0 BDADLO C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522934 585035150 /nfs/dbraw/zinc/03/51/50/585035150.db2.gz REBNASDCCHHDKI-VXGBXAGGSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000737522934 585035151 /nfs/dbraw/zinc/03/51/51/585035151.db2.gz REBNASDCCHHDKI-VXGBXAGGSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000737522934 585035152 /nfs/dbraw/zinc/03/51/52/585035152.db2.gz REBNASDCCHHDKI-VXGBXAGGSA-N 1 2 240.347 1.410 20 0 BDADLO CC(C)(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000737556000 585036096 /nfs/dbraw/zinc/03/60/96/585036096.db2.gz XSZJJKHDYWQMDZ-UHFFFAOYSA-N 1 2 245.282 1.888 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cccnc1 ZINC000788084420 585039218 /nfs/dbraw/zinc/03/92/18/585039218.db2.gz RGOCRGDWESHUHA-NSHDSACASA-N 1 2 238.262 1.282 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cccnc1 ZINC000788084420 585039219 /nfs/dbraw/zinc/03/92/19/585039219.db2.gz RGOCRGDWESHUHA-NSHDSACASA-N 1 2 238.262 1.282 20 0 BDADLO Nc1cc(COC(=O)/C=C/[C@H]2CCOC2)cc[nH+]1 ZINC000838044171 585043613 /nfs/dbraw/zinc/04/36/13/585043613.db2.gz NDNKZFXVBCCXRZ-YOLVWIGZSA-N 1 2 248.282 1.300 20 0 BDADLO O=C(CC1(O)CCC1)OCCCn1cc[nH+]c1 ZINC000838212529 585048609 /nfs/dbraw/zinc/04/86/09/585048609.db2.gz YGRAWNYTVJTPAW-UHFFFAOYSA-N 1 2 238.287 1.122 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c21)N[C@H]1CC=CCC1 ZINC000838479994 585059147 /nfs/dbraw/zinc/05/91/47/585059147.db2.gz CJWVTGAQFBEUBZ-QWRGUYRKSA-N 1 2 246.314 1.736 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000838633101 585064240 /nfs/dbraw/zinc/06/42/40/585064240.db2.gz IQTHAXCAJZKCNL-WDEREUQCSA-N 1 2 248.330 1.768 20 0 BDADLO CCn1ncc(C[N@H+](CC)C[C@H]2CCCO2)n1 ZINC000838802057 585068949 /nfs/dbraw/zinc/06/89/49/585068949.db2.gz KFZOJWYDQINZEY-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+](CC)C[C@H]2CCCO2)n1 ZINC000838802057 585068950 /nfs/dbraw/zinc/06/89/50/585068950.db2.gz KFZOJWYDQINZEY-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccoc2)C1 ZINC000838992028 585085035 /nfs/dbraw/zinc/08/50/35/585085035.db2.gz IBKUYJYPSCKNGA-UHFFFAOYSA-N 1 2 225.288 1.517 20 0 BDADLO COC(=O)c1cccc2c1CC[N@H+](CCF)C2 ZINC000839093806 585090485 /nfs/dbraw/zinc/09/04/85/585090485.db2.gz XNGTYEHFNABFOO-UHFFFAOYSA-N 1 2 237.274 1.801 20 0 BDADLO COC(=O)c1cccc2c1CC[N@@H+](CCF)C2 ZINC000839093806 585090486 /nfs/dbraw/zinc/09/04/86/585090486.db2.gz XNGTYEHFNABFOO-UHFFFAOYSA-N 1 2 237.274 1.801 20 0 BDADLO COCC1(C)C[NH+](Cc2cc(F)ncc2F)C1 ZINC000839143539 585094749 /nfs/dbraw/zinc/09/47/49/585094749.db2.gz OEEVOZWLIXHVNA-UHFFFAOYSA-N 1 2 242.269 1.828 20 0 BDADLO COCC1(C)C[NH+](Cc2ccc(F)nc2)C1 ZINC000839143928 585094794 /nfs/dbraw/zinc/09/47/94/585094794.db2.gz RUMIBIOXUHRFKE-UHFFFAOYSA-N 1 2 224.279 1.689 20 0 BDADLO Cn1ncc(C[NH+]2CC(C(C)(C)C)C2)n1 ZINC000839144057 585094879 /nfs/dbraw/zinc/09/48/79/585094879.db2.gz FOQZMEJFSTUHKO-UHFFFAOYSA-N 1 2 208.309 1.293 20 0 BDADLO Cn1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1Cl ZINC000839191157 585097381 /nfs/dbraw/zinc/09/73/81/585097381.db2.gz FHNWICIDVZTHJA-IUCAKERBSA-N 1 2 243.763 1.763 20 0 BDADLO Cn1ncc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1Cl ZINC000839191157 585097382 /nfs/dbraw/zinc/09/73/82/585097382.db2.gz FHNWICIDVZTHJA-IUCAKERBSA-N 1 2 243.763 1.763 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC000839201158 585099481 /nfs/dbraw/zinc/09/94/81/585099481.db2.gz PTTYEEOYAFVHED-JGVFFNPUSA-N 1 2 248.735 1.300 20 0 BDADLO COC(=O)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839360817 585101797 /nfs/dbraw/zinc/10/17/97/585101797.db2.gz QGFWTLNYLBWLSA-UHFFFAOYSA-N 1 2 247.254 1.226 20 0 BDADLO CO[C@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839360843 585102029 /nfs/dbraw/zinc/10/20/29/585102029.db2.gz QQBPEYNAXHMJBO-SECBINFHSA-N 1 2 233.271 1.698 20 0 BDADLO C[C@H]1C[C@H](C)[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000740860575 585107374 /nfs/dbraw/zinc/10/73/74/585107374.db2.gz QVWBTSYRYPOMQX-QWRGUYRKSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000740860575 585107375 /nfs/dbraw/zinc/10/73/75/585107375.db2.gz QVWBTSYRYPOMQX-QWRGUYRKSA-N 1 2 246.314 1.184 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000741781875 585118520 /nfs/dbraw/zinc/11/85/20/585118520.db2.gz NQCCDRCTUIXHIW-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000741781875 585118521 /nfs/dbraw/zinc/11/85/21/585118521.db2.gz NQCCDRCTUIXHIW-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO C[N@H+](CC(F)F)C1CCN(C(=O)C2CC2)CC1 ZINC000742238459 585123685 /nfs/dbraw/zinc/12/36/85/585123685.db2.gz YEXWRLFKXSMGFG-UHFFFAOYSA-N 1 2 246.301 1.584 20 0 BDADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C2CC2)CC1 ZINC000742238459 585123686 /nfs/dbraw/zinc/12/36/86/585123686.db2.gz YEXWRLFKXSMGFG-UHFFFAOYSA-N 1 2 246.301 1.584 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859206829 589018912 /nfs/dbraw/zinc/01/89/12/589018912.db2.gz JAFSUXAIGJKBJO-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859206829 589018914 /nfs/dbraw/zinc/01/89/14/589018914.db2.gz JAFSUXAIGJKBJO-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccno1 ZINC000742364787 585124699 /nfs/dbraw/zinc/12/46/99/585124699.db2.gz GBQYMFWYVIAJDT-SECBINFHSA-N 1 2 241.291 1.734 20 0 BDADLO Cc1nc(NCCCNc2ncccn2)cc[nH+]1 ZINC000742393773 585125814 /nfs/dbraw/zinc/12/58/14/585125814.db2.gz BJJCDJYCGMFHGS-UHFFFAOYSA-N 1 2 244.302 1.489 20 0 BDADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@@H]2CCCO[C@H]21 ZINC000743479267 585137517 /nfs/dbraw/zinc/13/75/17/585137517.db2.gz GNDCNCYTGMUUAY-LNFKQOIKSA-N 1 2 239.315 1.095 20 0 BDADLO CNC(=O)C1([NH2+]Cc2ncc(C)o2)CCCC1 ZINC000744403534 585150047 /nfs/dbraw/zinc/15/00/47/585150047.db2.gz RDLNLMNXGXZFCW-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO S=C1SCCN1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744434380 585150455 /nfs/dbraw/zinc/15/04/55/585150455.db2.gz AVURHWWQHOGBTB-DTORHVGOSA-N 1 2 244.385 1.141 20 0 BDADLO S=C1SCCN1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744434380 585150456 /nfs/dbraw/zinc/15/04/56/585150456.db2.gz AVURHWWQHOGBTB-DTORHVGOSA-N 1 2 244.385 1.141 20 0 BDADLO CCSCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745080405 585156026 /nfs/dbraw/zinc/15/60/26/585156026.db2.gz AFNRAEPUCRFXPV-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CCSCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000745080405 585156027 /nfs/dbraw/zinc/15/60/27/585156027.db2.gz AFNRAEPUCRFXPV-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745084128 585156588 /nfs/dbraw/zinc/15/65/88/585156588.db2.gz HCSDVCXEXGZTAR-ZJUUUORDSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745084128 585156589 /nfs/dbraw/zinc/15/65/89/585156589.db2.gz HCSDVCXEXGZTAR-ZJUUUORDSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745084447 585156669 /nfs/dbraw/zinc/15/66/69/585156669.db2.gz UANSKYQBYWSMTA-QWRGUYRKSA-N 1 2 241.331 1.772 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745084447 585156670 /nfs/dbraw/zinc/15/66/70/585156670.db2.gz UANSKYQBYWSMTA-QWRGUYRKSA-N 1 2 241.331 1.772 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)COC1(C)CCC1 ZINC000746205796 585165127 /nfs/dbraw/zinc/16/51/27/585165127.db2.gz GMKRJMHPSUUBJR-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1=CCCCO1 ZINC000746236628 585165999 /nfs/dbraw/zinc/16/59/99/585165999.db2.gz KLTUJEBPLWYKQN-UHFFFAOYSA-N 1 2 221.260 1.062 20 0 BDADLO CC(C)CC[N@H+](C)Cn1ccsc1=O ZINC000746613539 585170915 /nfs/dbraw/zinc/17/09/15/585170915.db2.gz YTRUKIKHKHNRFU-UHFFFAOYSA-N 1 2 214.334 1.845 20 0 BDADLO CC(C)CC[N@@H+](C)Cn1ccsc1=O ZINC000746613539 585170916 /nfs/dbraw/zinc/17/09/16/585170916.db2.gz YTRUKIKHKHNRFU-UHFFFAOYSA-N 1 2 214.334 1.845 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1CCS(C)(=O)=O ZINC000746671144 585171992 /nfs/dbraw/zinc/17/19/92/585171992.db2.gz LABBLBFJSNXYJZ-SNVBAGLBSA-N 1 2 239.340 1.608 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1CCS(C)(=O)=O ZINC000746671144 585171993 /nfs/dbraw/zinc/17/19/93/585171993.db2.gz LABBLBFJSNXYJZ-SNVBAGLBSA-N 1 2 239.340 1.608 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1CCS(C)(=O)=O ZINC000746671140 585172073 /nfs/dbraw/zinc/17/20/73/585172073.db2.gz LABBLBFJSNXYJZ-JTQLQIEISA-N 1 2 239.340 1.608 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1CCS(C)(=O)=O ZINC000746671140 585172074 /nfs/dbraw/zinc/17/20/74/585172074.db2.gz LABBLBFJSNXYJZ-JTQLQIEISA-N 1 2 239.340 1.608 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1CC12CCCC2 ZINC000747295880 585177645 /nfs/dbraw/zinc/17/76/45/585177645.db2.gz ZVIDJLYFKUSSBP-QMMMGPOBSA-N 1 2 224.329 1.786 20 0 BDADLO OC[C@]1(C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)C1 ZINC000886798949 585177894 /nfs/dbraw/zinc/17/78/94/585177894.db2.gz KGLQFBHOJLYKND-VIFPVBQESA-N 1 2 249.236 1.156 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OC[C@H]1CCOC1 ZINC000747836304 585184893 /nfs/dbraw/zinc/18/48/93/585184893.db2.gz QKGMUCODCOMXPR-QWRGUYRKSA-N 1 2 244.335 1.582 20 0 BDADLO CONC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747861219 585185174 /nfs/dbraw/zinc/18/51/74/585185174.db2.gz UBCIDIHTBUJBNA-UHFFFAOYSA-N 1 2 239.275 1.068 20 0 BDADLO CCNC(=S)Nc1c[nH+]ccc1OC ZINC000748156745 585188311 /nfs/dbraw/zinc/18/83/11/585188311.db2.gz HVGIFYIUZHKIMX-UHFFFAOYSA-N 1 2 211.290 1.397 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1ncccn1 ZINC000748339114 585190819 /nfs/dbraw/zinc/19/08/19/585190819.db2.gz KTPGVPRTMDWDLC-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO COCC[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749948656 585208779 /nfs/dbraw/zinc/20/87/79/585208779.db2.gz XYMNDTIAQNACNN-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749948656 585208780 /nfs/dbraw/zinc/20/87/80/585208780.db2.gz XYMNDTIAQNACNN-RYUDHWBXSA-N 1 2 240.347 1.313 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncnn2C)Cc2ccccc21 ZINC000750033887 585209660 /nfs/dbraw/zinc/20/96/60/585209660.db2.gz YIKOSPCDQHTFKJ-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncnn2C)Cc2ccccc21 ZINC000750033887 585209661 /nfs/dbraw/zinc/20/96/61/585209661.db2.gz YIKOSPCDQHTFKJ-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO CC(C)c1nc(N2CCc3c[nH]nc3C2)cc[nH+]1 ZINC000750566869 585217622 /nfs/dbraw/zinc/21/76/22/585217622.db2.gz OOWWAJQYPPYAJA-UHFFFAOYSA-N 1 2 243.314 1.886 20 0 BDADLO CC(C)=C(C)C(=O)OCC[NH+]1CCOCC1 ZINC000750942472 585222683 /nfs/dbraw/zinc/22/26/83/585222683.db2.gz FTTMANAIQRYSCT-UHFFFAOYSA-N 1 2 227.304 1.218 20 0 BDADLO CS/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000751583896 585233806 /nfs/dbraw/zinc/23/38/06/585233806.db2.gz WOJIOLCRNKBRHY-DJWKRKHSSA-N 1 2 223.301 1.143 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)nc1 ZINC000753068980 585252973 /nfs/dbraw/zinc/25/29/73/585252973.db2.gz NFNOGSDRXLQOPI-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\c1ccco1 ZINC000753148476 585254272 /nfs/dbraw/zinc/25/42/72/585254272.db2.gz VVBDRQLYMFZABQ-PLNGDYQASA-N 1 2 232.239 1.770 20 0 BDADLO C/C=C\C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753183506 585255109 /nfs/dbraw/zinc/25/51/09/585255109.db2.gz PYLPNKBEVGWYIB-SROOVFNMSA-N 1 2 231.299 1.353 20 0 BDADLO CCC(=O)CC[N@H+](C)Cc1nnc2ccccn21 ZINC000753739356 585267390 /nfs/dbraw/zinc/26/73/90/585267390.db2.gz RARRFKHXFUGDRA-UHFFFAOYSA-N 1 2 246.314 1.530 20 0 BDADLO CCC(=O)CC[N@@H+](C)Cc1nnc2ccccn21 ZINC000753739356 585267391 /nfs/dbraw/zinc/26/73/91/585267391.db2.gz RARRFKHXFUGDRA-UHFFFAOYSA-N 1 2 246.314 1.530 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)C(C)(C)C ZINC000753748763 585268144 /nfs/dbraw/zinc/26/81/44/585268144.db2.gz STXIAHVFCXGFNM-JTQLQIEISA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)C(C)(C)C ZINC000753748763 585268145 /nfs/dbraw/zinc/26/81/45/585268145.db2.gz STXIAHVFCXGFNM-JTQLQIEISA-N 1 2 243.347 1.875 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1CCCOC[C@H]1C ZINC000753796869 585269408 /nfs/dbraw/zinc/26/94/08/585269408.db2.gz UXDUVBDNLYZLCS-SECBINFHSA-N 1 2 243.738 1.913 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1CCCOC[C@H]1C ZINC000753796869 585269409 /nfs/dbraw/zinc/26/94/09/585269409.db2.gz UXDUVBDNLYZLCS-SECBINFHSA-N 1 2 243.738 1.913 20 0 BDADLO CO[C@@H]1C[N@H+](C/C(Cl)=C\Cl)C[C@@H]1OC ZINC000753808284 585269861 /nfs/dbraw/zinc/26/98/61/585269861.db2.gz ZVBDPRFWQRHPPS-SWNVIQRVSA-N 1 2 240.130 1.651 20 0 BDADLO CO[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1OC ZINC000753808284 585269862 /nfs/dbraw/zinc/26/98/62/585269862.db2.gz ZVBDPRFWQRHPPS-SWNVIQRVSA-N 1 2 240.130 1.651 20 0 BDADLO Cc1ncc(C=CC(=O)NCc2c[nH+]c[nH]2)s1 ZINC000754296445 585282425 /nfs/dbraw/zinc/28/24/25/585282425.db2.gz RJERYAARSPXCSY-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO Cc1ncc(C=CC(=O)NCc2c[nH]c[nH+]2)s1 ZINC000754296445 585282426 /nfs/dbraw/zinc/28/24/26/585282426.db2.gz RJERYAARSPXCSY-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCOCC1CC1 ZINC000754686141 585289520 /nfs/dbraw/zinc/28/95/20/585289520.db2.gz YLEWXNCBGFPFGC-UHFFFAOYSA-N 1 2 238.287 1.280 20 0 BDADLO O=Cc1cc(C(=O)NCc2[nH]cc[nH+]2)cs1 ZINC000755010168 585293297 /nfs/dbraw/zinc/29/32/97/585293297.db2.gz ZSFGUDXAJNDGCV-UHFFFAOYSA-N 1 2 235.268 1.214 20 0 BDADLO CC(C)[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000755288303 585297141 /nfs/dbraw/zinc/29/71/41/585297141.db2.gz FNZZYCVINFGRBH-NSHDSACASA-N 1 2 247.298 1.081 20 0 BDADLO C[C@@H](C(=O)NC1=[NH+]CCS1)C1CCOCC1 ZINC000755424730 585299351 /nfs/dbraw/zinc/29/93/51/585299351.db2.gz HIASYPPKROEIMX-MRVPVSSYSA-N 1 2 242.344 1.268 20 0 BDADLO CCOC(=O)c1cnn(C[N@H+]2CC=C(C)CC2)c1 ZINC000755768717 585306486 /nfs/dbraw/zinc/30/64/86/585306486.db2.gz QUSHYBNCHQKFSG-UHFFFAOYSA-N 1 2 249.314 1.669 20 0 BDADLO CCOC(=O)c1cnn(C[N@@H+]2CC=C(C)CC2)c1 ZINC000755768717 585306487 /nfs/dbraw/zinc/30/64/87/585306487.db2.gz QUSHYBNCHQKFSG-UHFFFAOYSA-N 1 2 249.314 1.669 20 0 BDADLO CC1=CC[N@H+](Cn2ccsc2=O)CC1 ZINC000755770574 585306593 /nfs/dbraw/zinc/30/65/93/585306593.db2.gz LBRBAMYQAIOSEX-UHFFFAOYSA-N 1 2 210.302 1.519 20 0 BDADLO CC1=CC[N@@H+](Cn2ccsc2=O)CC1 ZINC000755770574 585306594 /nfs/dbraw/zinc/30/65/94/585306594.db2.gz LBRBAMYQAIOSEX-UHFFFAOYSA-N 1 2 210.302 1.519 20 0 BDADLO CC1=C(C(=O)NCc2c[nH+]c[nH]2)CCCO1 ZINC000755914729 585310411 /nfs/dbraw/zinc/31/04/11/585310411.db2.gz DPQDUKFYQDLKEY-UHFFFAOYSA-N 1 2 221.260 1.110 20 0 BDADLO CC1=C(C(=O)NCc2c[nH]c[nH+]2)CCCO1 ZINC000755914729 585310412 /nfs/dbraw/zinc/31/04/12/585310412.db2.gz DPQDUKFYQDLKEY-UHFFFAOYSA-N 1 2 221.260 1.110 20 0 BDADLO C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCOC1 ZINC000756205067 585315779 /nfs/dbraw/zinc/31/57/79/585315779.db2.gz MXOOYZOKMIHRGL-ZDUSSCGKSA-N 1 2 245.282 1.243 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000839535479 585329491 /nfs/dbraw/zinc/32/94/91/585329491.db2.gz YANBSEHKCRQJGR-PRJMDXOYSA-N 1 2 236.237 1.148 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000839535479 585329492 /nfs/dbraw/zinc/32/94/92/585329492.db2.gz YANBSEHKCRQJGR-PRJMDXOYSA-N 1 2 236.237 1.148 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCc2cncs2)CCO1 ZINC000839593429 585331332 /nfs/dbraw/zinc/33/13/32/585331332.db2.gz BKTYEWZJWNJPSX-SECBINFHSA-N 1 2 248.298 1.652 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCc2cncs2)CCO1 ZINC000839593429 585331333 /nfs/dbraw/zinc/33/13/33/585331333.db2.gz BKTYEWZJWNJPSX-SECBINFHSA-N 1 2 248.298 1.652 20 0 BDADLO CN(C)C(=O)C1([NH2+]C/C(Cl)=C\Cl)CC1 ZINC000839631709 585333118 /nfs/dbraw/zinc/33/31/18/585333118.db2.gz AZISWJNRCDKYHJ-FNORWQNLSA-N 1 2 237.130 1.516 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@H+](C/C=C\Cl)C2)n1 ZINC000839657718 585333680 /nfs/dbraw/zinc/33/36/80/585333680.db2.gz BBBHCUKCBSXRLB-MDHMXLOGSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@@H+](C/C=C\Cl)C2)n1 ZINC000839657718 585333681 /nfs/dbraw/zinc/33/36/81/585333681.db2.gz BBBHCUKCBSXRLB-MDHMXLOGSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](C/C=C\Cl)C2)n[nH]1 ZINC000839657718 585333682 /nfs/dbraw/zinc/33/36/82/585333682.db2.gz BBBHCUKCBSXRLB-MDHMXLOGSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](C/C=C\Cl)C2)n[nH]1 ZINC000839657718 585333683 /nfs/dbraw/zinc/33/36/83/585333683.db2.gz BBBHCUKCBSXRLB-MDHMXLOGSA-N 1 2 226.711 1.655 20 0 BDADLO CCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000757508295 585339649 /nfs/dbraw/zinc/33/96/49/585339649.db2.gz BWEDRUQHBMGCSK-UHFFFAOYSA-N 1 2 233.315 1.895 20 0 BDADLO CCOCSc1[nH+]cnc2c1cnn2C ZINC000758362956 585354841 /nfs/dbraw/zinc/35/48/41/585354841.db2.gz DDGHDGITUPTPRC-UHFFFAOYSA-N 1 2 224.289 1.449 20 0 BDADLO Cc1cnc(N2CC[NH+](CCF)CC2)s1 ZINC000759342481 585369001 /nfs/dbraw/zinc/36/90/01/585369001.db2.gz PDUCKXCSDDBVMU-UHFFFAOYSA-N 1 2 229.324 1.543 20 0 BDADLO CC[N@H+](CCF)[C@@H](C)CS(=O)(=O)CC ZINC000759341093 585369220 /nfs/dbraw/zinc/36/92/20/585369220.db2.gz CODWXSHPKDBANM-VIFPVBQESA-N 1 2 225.329 1.101 20 0 BDADLO CC[N@@H+](CCF)[C@@H](C)CS(=O)(=O)CC ZINC000759341093 585369221 /nfs/dbraw/zinc/36/92/21/585369221.db2.gz CODWXSHPKDBANM-VIFPVBQESA-N 1 2 225.329 1.101 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCc1cccnc1 ZINC000759398700 585372117 /nfs/dbraw/zinc/37/21/17/585372117.db2.gz JEYKLUQEKQENRY-UHFFFAOYSA-N 1 2 245.282 1.491 20 0 BDADLO C[N@H+](Cc1ccnc(Cl)c1)[C@H]1CCNC1=O ZINC000759432471 585372890 /nfs/dbraw/zinc/37/28/90/585372890.db2.gz DLOUADQDQAQMTJ-VIFPVBQESA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1ccnc(Cl)c1)[C@H]1CCNC1=O ZINC000759432471 585372891 /nfs/dbraw/zinc/37/28/91/585372891.db2.gz DLOUADQDQAQMTJ-VIFPVBQESA-N 1 2 239.706 1.055 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000759874376 585381981 /nfs/dbraw/zinc/38/19/81/585381981.db2.gz IUXHPXUWPHGEOF-BONVTDFDSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000759874376 585381982 /nfs/dbraw/zinc/38/19/82/585381982.db2.gz IUXHPXUWPHGEOF-BONVTDFDSA-N 1 2 231.361 1.199 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)[C@H]1CC12CCC2 ZINC000759978456 585383685 /nfs/dbraw/zinc/38/36/85/585383685.db2.gz OFAYFFXBSPVZAB-LLVKDONJSA-N 1 2 239.315 1.052 20 0 BDADLO COCCCCO[NH+]=C(N)COC(C)C ZINC000760351917 585391020 /nfs/dbraw/zinc/39/10/20/585391020.db2.gz XADVAADJVLHMLJ-UHFFFAOYSA-N 1 2 218.297 1.336 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)O)C(C)(C)C ZINC000760917854 585401600 /nfs/dbraw/zinc/40/16/00/585401600.db2.gz XIHHZLFVUBSRGC-SNVBAGLBSA-N 1 2 245.363 1.715 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761080134 585406598 /nfs/dbraw/zinc/40/65/98/585406598.db2.gz TXVIUOZRIVQNQU-SNVBAGLBSA-N 1 2 237.347 1.681 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCN(C)[C@H](C)C1 ZINC000761080134 585406599 /nfs/dbraw/zinc/40/65/99/585406599.db2.gz TXVIUOZRIVQNQU-SNVBAGLBSA-N 1 2 237.347 1.681 20 0 BDADLO C/C=C\C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762260255 585430373 /nfs/dbraw/zinc/43/03/73/585430373.db2.gz VBTRFXWXYXWQPW-IHWYPQMZSA-N 1 2 215.256 1.527 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCCCCCO ZINC000762464111 585432500 /nfs/dbraw/zinc/43/25/00/585432500.db2.gz YPRXXKBKRQIIGH-UHFFFAOYSA-N 1 2 232.324 1.463 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc(CO)cc1 ZINC000763114315 585443289 /nfs/dbraw/zinc/44/32/89/585443289.db2.gz GXMVFQJSBJYPOB-UHFFFAOYSA-N 1 2 246.266 1.232 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc(O)cc1O ZINC000763116415 585443302 /nfs/dbraw/zinc/44/33/02/585443302.db2.gz SHHHWMKUVWRYNX-UHFFFAOYSA-N 1 2 248.238 1.151 20 0 BDADLO C[C@H]1[N@H+](CN2CCOC2=S)CCOC1(C)C ZINC000763208800 585444667 /nfs/dbraw/zinc/44/46/67/585444667.db2.gz AXPLCFRSKGWYKX-SECBINFHSA-N 1 2 244.360 1.060 20 0 BDADLO C[C@H]1[N@@H+](CN2CCOC2=S)CCOC1(C)C ZINC000763208800 585444668 /nfs/dbraw/zinc/44/46/68/585444668.db2.gz AXPLCFRSKGWYKX-SECBINFHSA-N 1 2 244.360 1.060 20 0 BDADLO COCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000763289684 585446115 /nfs/dbraw/zinc/44/61/15/585446115.db2.gz SZODFYUVVATULK-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000763626639 585451379 /nfs/dbraw/zinc/45/13/79/585451379.db2.gz COOSXBBNFIRVDM-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000763626639 585451380 /nfs/dbraw/zinc/45/13/80/585451380.db2.gz COOSXBBNFIRVDM-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1cc(NC(=O)N2CC(O)(C(C)C)C2)cc[nH+]1 ZINC000765329166 585483941 /nfs/dbraw/zinc/48/39/41/585483941.db2.gz QNORDANSBKLULN-UHFFFAOYSA-N 1 2 249.314 1.047 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1C[C@H]1C ZINC000805340523 585513167 /nfs/dbraw/zinc/51/31/67/585513167.db2.gz GEKZIJQTCYZOLK-SCZZXKLOSA-N 1 2 221.256 1.789 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000767926521 585528379 /nfs/dbraw/zinc/52/83/79/585528379.db2.gz KVJZSCHUEBZHBM-AWEZNQCLSA-N 1 2 245.326 1.850 20 0 BDADLO CO[C@@H]1CCN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000767949840 585528893 /nfs/dbraw/zinc/52/88/93/585528893.db2.gz LMLQZSCMQXDOKQ-LLVKDONJSA-N 1 2 249.314 1.373 20 0 BDADLO C/C=C/C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768143319 585533026 /nfs/dbraw/zinc/53/30/26/585533026.db2.gz TXLRSTGWZRXVHT-TZNOJPMFSA-N 1 2 233.315 1.702 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)oc1C ZINC000768174811 585533382 /nfs/dbraw/zinc/53/33/82/585533382.db2.gz DSXKHCKNUQLMSB-UHFFFAOYSA-N 1 2 234.255 1.987 20 0 BDADLO O=C1C[N@H+](Cc2ccoc2)[C@@H]2CCCC[C@@H]2N1 ZINC000769191646 585550960 /nfs/dbraw/zinc/55/09/60/585550960.db2.gz AQOYYKKDTGFWIT-NWDGAFQWSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccoc2)[C@@H]2CCCC[C@@H]2N1 ZINC000769191646 585550961 /nfs/dbraw/zinc/55/09/61/585550961.db2.gz AQOYYKKDTGFWIT-NWDGAFQWSA-N 1 2 234.299 1.523 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cncnc1 ZINC000769253631 585551806 /nfs/dbraw/zinc/55/18/06/585551806.db2.gz UGFZCRDSIAZDOD-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cncnc1 ZINC000769253631 585551807 /nfs/dbraw/zinc/55/18/07/585551807.db2.gz UGFZCRDSIAZDOD-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO O=C(C[N@H+](Cc1ccoc1)C1CC1)NC1CC1 ZINC000769306645 585553211 /nfs/dbraw/zinc/55/32/11/585553211.db2.gz BIQTXSQBZARMPW-UHFFFAOYSA-N 1 2 234.299 1.523 20 0 BDADLO O=C(C[N@@H+](Cc1ccoc1)C1CC1)NC1CC1 ZINC000769306645 585553212 /nfs/dbraw/zinc/55/32/12/585553212.db2.gz BIQTXSQBZARMPW-UHFFFAOYSA-N 1 2 234.299 1.523 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cc(C)no1 ZINC000805383849 585553694 /nfs/dbraw/zinc/55/36/94/585553694.db2.gz RFLJCBFHBJALOF-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO NC(=[NH+]OC[C@H]1CCCOC1)c1ccccc1 ZINC000769877685 585565959 /nfs/dbraw/zinc/56/59/59/585565959.db2.gz LIDSDWRFNOBLNY-NSHDSACASA-N 1 2 234.299 1.960 20 0 BDADLO CN(CC1CC1)C(=O)c1cccc2[nH+]ccn21 ZINC000770073770 585570764 /nfs/dbraw/zinc/57/07/64/585570764.db2.gz BMFPNODTRSTKHH-UHFFFAOYSA-N 1 2 229.283 1.816 20 0 BDADLO Cc1cc(NC[C@H](O)c2ccccn2)nc[nH+]1 ZINC000770129556 585571049 /nfs/dbraw/zinc/57/10/49/585571049.db2.gz RSRSUENLNHDJOR-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO Cc1ccncc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000771362713 585593239 /nfs/dbraw/zinc/59/32/39/585593239.db2.gz NNGCIADUICRYGS-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccncc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000771362713 585593240 /nfs/dbraw/zinc/59/32/40/585593240.db2.gz NNGCIADUICRYGS-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)COCCC(=O)OCCn1cc[nH+]c1 ZINC000771911576 585604376 /nfs/dbraw/zinc/60/43/76/585604376.db2.gz NZXOFYXZASDAPU-UHFFFAOYSA-N 1 2 240.303 1.489 20 0 BDADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000771938776 585604838 /nfs/dbraw/zinc/60/48/38/585604838.db2.gz QHQYWTZIOPBPGK-SNVBAGLBSA-N 1 2 222.288 1.863 20 0 BDADLO CC(C)[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771960481 585605375 /nfs/dbraw/zinc/60/53/75/585605375.db2.gz NTWRDFVZTMQGIA-JTQLQIEISA-N 1 2 210.277 1.718 20 0 BDADLO CSC[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771957062 585605618 /nfs/dbraw/zinc/60/56/18/585605618.db2.gz FTJYAJWOFXBIRE-SECBINFHSA-N 1 2 228.317 1.425 20 0 BDADLO CCCCOCC(=O)OCCn1cc[nH+]c1 ZINC000771966715 585605663 /nfs/dbraw/zinc/60/56/63/585605663.db2.gz AUULDFDDTBDVLU-UHFFFAOYSA-N 1 2 226.276 1.243 20 0 BDADLO O=C(CCC1CC1)OCCn1cc[nH+]c1 ZINC000771963516 585605745 /nfs/dbraw/zinc/60/57/45/585605745.db2.gz CIQKODHIWFHHFT-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO CON(C)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000771995766 585606361 /nfs/dbraw/zinc/60/63/61/585606361.db2.gz FPZAQBXQIRFKIU-UHFFFAOYSA-N 1 2 247.298 1.755 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1=CCCC1 ZINC000772002557 585606563 /nfs/dbraw/zinc/60/65/63/585606563.db2.gz JPSZUNGWKKYSTI-UHFFFAOYSA-N 1 2 206.245 1.537 20 0 BDADLO CC1(C)C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772012921 585606838 /nfs/dbraw/zinc/60/68/38/585606838.db2.gz KIYKNSGOYJTASJ-SECBINFHSA-N 1 2 208.261 1.472 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCC(=O)O2)c(C)[nH+]1 ZINC000772201126 585609991 /nfs/dbraw/zinc/60/99/91/585609991.db2.gz FJAYWUXKKRYQAH-LLVKDONJSA-N 1 2 249.266 1.447 20 0 BDADLO O=C(Cc1ccoc1)OCCn1cc[nH+]c1 ZINC000772574203 585618312 /nfs/dbraw/zinc/61/83/12/585618312.db2.gz VFNMGNNYDVTXJM-UHFFFAOYSA-N 1 2 220.228 1.262 20 0 BDADLO CCCCCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805473098 585625330 /nfs/dbraw/zinc/62/53/30/585625330.db2.gz JRNWHGFDWJSPGV-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805473098 585625331 /nfs/dbraw/zinc/62/53/31/585625331.db2.gz JRNWHGFDWJSPGV-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805473379 585625785 /nfs/dbraw/zinc/62/57/85/585625785.db2.gz MBCGPPGFEJDXLH-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805473379 585625786 /nfs/dbraw/zinc/62/57/86/585625786.db2.gz MBCGPPGFEJDXLH-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCC2CCC2)C1 ZINC000805474810 585627277 /nfs/dbraw/zinc/62/72/77/585627277.db2.gz SNVZLLCQILNVHY-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCC2CCC2)C1 ZINC000805474810 585627278 /nfs/dbraw/zinc/62/72/78/585627278.db2.gz SNVZLLCQILNVHY-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO CCCN(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000772940510 585628017 /nfs/dbraw/zinc/62/80/17/585628017.db2.gz JIRRMYQSWZTVLH-UHFFFAOYSA-N 1 2 222.292 1.202 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1cnccn1 ZINC000773090485 585631024 /nfs/dbraw/zinc/63/10/24/585631024.db2.gz UHFPYRFBRUAJDC-SECBINFHSA-N 1 2 232.262 1.862 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C=C1CCCCC1 ZINC000773821855 585644217 /nfs/dbraw/zinc/64/42/17/585644217.db2.gz CDRBYJCVDRLTKM-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1(C)CC1 ZINC000805494542 585644329 /nfs/dbraw/zinc/64/43/29/585644329.db2.gz ONLHSSCXSQUFOR-UHFFFAOYSA-N 1 2 221.256 1.934 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCCc1c[nH+]cn1C ZINC000773854682 585645008 /nfs/dbraw/zinc/64/50/08/585645008.db2.gz VQKFEMNOEOJDQT-KHPPLWFESA-N 1 2 235.331 1.825 20 0 BDADLO C[C@@H]1COCC[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC000774122537 585651172 /nfs/dbraw/zinc/65/11/72/585651172.db2.gz KLJRCYMOJHRLNU-KOLCDFICSA-N 1 2 238.287 1.136 20 0 BDADLO Cn1c[nH+]cc1COC(=O)Cc1ccoc1 ZINC000774140142 585651558 /nfs/dbraw/zinc/65/15/58/585651558.db2.gz STBNKOPNAUOLSR-UHFFFAOYSA-N 1 2 220.228 1.299 20 0 BDADLO COC1(C)CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000774640086 585662594 /nfs/dbraw/zinc/66/25/94/585662594.db2.gz PTRBYKXYMHQZDN-UHFFFAOYSA-N 1 2 243.738 1.995 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1CN1CCSC1=O ZINC000774658460 585662999 /nfs/dbraw/zinc/66/29/99/585662999.db2.gz AYDOBOXXDMTYDM-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO C[C@H]1CCOCC[N@H+]1CN1CCSC1=O ZINC000774658460 585663000 /nfs/dbraw/zinc/66/30/00/585663000.db2.gz AYDOBOXXDMTYDM-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO CC(C)OCC(N)=[NH+]OCc1cccnc1 ZINC000774820526 585667065 /nfs/dbraw/zinc/66/70/65/585667065.db2.gz CKLLYTHRXQRJRZ-UHFFFAOYSA-N 1 2 223.276 1.505 20 0 BDADLO c1cn2c([nH+]1)CN(C[C@H]1CCC=CO1)CC2 ZINC000774876757 585668093 /nfs/dbraw/zinc/66/80/93/585668093.db2.gz RNOAQAICXAWNCO-LLVKDONJSA-N 1 2 219.288 1.391 20 0 BDADLO C[C@H](C(=O)OC/C=C/Cl)[NH+]1CCSCC1 ZINC000774985875 585670100 /nfs/dbraw/zinc/67/01/00/585670100.db2.gz DVSMQJRRMAEKKN-GKQMSVHHSA-N 1 2 249.763 1.719 20 0 BDADLO Cc1ccc(CC(=O)OCc2c[nH+]cn2C)o1 ZINC000775252675 585674353 /nfs/dbraw/zinc/67/43/53/585674353.db2.gz HJWVVSGPUKEHGW-UHFFFAOYSA-N 1 2 234.255 1.607 20 0 BDADLO Cn1ccc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000775323490 585675577 /nfs/dbraw/zinc/67/55/77/585675577.db2.gz GSUIKSBOHZXOJB-UHFFFAOYSA-N 1 2 244.298 1.661 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1nncn1C)c1ccccn1 ZINC000775448843 585678040 /nfs/dbraw/zinc/67/80/40/585678040.db2.gz LJNRMMOLOKKRTF-CYBMUJFWSA-N 1 2 245.330 1.697 20 0 BDADLO O=C(NOC1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000775599573 585681464 /nfs/dbraw/zinc/68/14/64/585681464.db2.gz ZMUVSWYJAMLJHC-JTQLQIEISA-N 1 2 249.314 1.436 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CC(C)C)C1 ZINC000776305475 585695197 /nfs/dbraw/zinc/69/51/97/585695197.db2.gz CFHZFIRPNHASJQ-UHFFFAOYSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000776526038 585700287 /nfs/dbraw/zinc/70/02/87/585700287.db2.gz VICLDNQVBINKPB-NXEZZACHSA-N 1 2 222.288 1.900 20 0 BDADLO CCOC(=O)CC[N@H+](C)CC(=O)OCC(C)C ZINC000776582363 585701306 /nfs/dbraw/zinc/70/13/06/585701306.db2.gz SNVPOWGFUQFGQF-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO CCOC(=O)CC[N@@H+](C)CC(=O)OCC(C)C ZINC000776582363 585701307 /nfs/dbraw/zinc/70/13/07/585701307.db2.gz SNVPOWGFUQFGQF-UHFFFAOYSA-N 1 2 245.319 1.071 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000776601529 585702397 /nfs/dbraw/zinc/70/23/97/585702397.db2.gz KELVELFZRHMYLX-VIFPVBQESA-N 1 2 235.274 1.773 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000776601529 585702398 /nfs/dbraw/zinc/70/23/98/585702398.db2.gz KELVELFZRHMYLX-VIFPVBQESA-N 1 2 235.274 1.773 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C/Cl ZINC000776854680 585706329 /nfs/dbraw/zinc/70/63/29/585706329.db2.gz WOKVMHMJOUYFRT-UCUJLANTSA-N 1 2 232.755 1.974 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C/Cl ZINC000776854680 585706330 /nfs/dbraw/zinc/70/63/30/585706330.db2.gz WOKVMHMJOUYFRT-UCUJLANTSA-N 1 2 232.755 1.974 20 0 BDADLO Cl/C=C(\Cl)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776872521 585706446 /nfs/dbraw/zinc/70/64/46/585706446.db2.gz AWBSEXADSGNSHT-CHDHTGKKSA-N 1 2 247.129 1.844 20 0 BDADLO Cl/C=C(\Cl)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776872521 585706447 /nfs/dbraw/zinc/70/64/47/585706447.db2.gz AWBSEXADSGNSHT-CHDHTGKKSA-N 1 2 247.129 1.844 20 0 BDADLO O=C(NCc1cocn1)c1cccc2[nH+]ccn21 ZINC000776899677 585706779 /nfs/dbraw/zinc/70/67/79/585706779.db2.gz KYPWTKNYUUJIQI-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO O=C(NC1CC=CC1)c1cccc2[nH+]ccn21 ZINC000777014071 585707243 /nfs/dbraw/zinc/70/72/43/585707243.db2.gz BQWQTMBZSHSKHK-UHFFFAOYSA-N 1 2 227.267 1.783 20 0 BDADLO Cc1cccc2[nH+]cc(CNc3nncn3C)n21 ZINC000777733750 585719398 /nfs/dbraw/zinc/71/93/98/585719398.db2.gz XWWUJNYZKHZEGD-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CN(C)C(=O)N1CC[N@H+](CCF)C(C)(C)C1 ZINC000777739939 585719409 /nfs/dbraw/zinc/71/94/09/585719409.db2.gz SBIDSPPNEOOLJS-UHFFFAOYSA-N 1 2 231.315 1.034 20 0 BDADLO CN(C)C(=O)N1CC[N@@H+](CCF)C(C)(C)C1 ZINC000777739939 585719410 /nfs/dbraw/zinc/71/94/10/585719410.db2.gz SBIDSPPNEOOLJS-UHFFFAOYSA-N 1 2 231.315 1.034 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC=CO1 ZINC000777840133 585721067 /nfs/dbraw/zinc/72/10/67/585721067.db2.gz VJOZSBHXYRGUHB-JTQLQIEISA-N 1 2 235.287 1.071 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCSC2=S)C[C@H]1F ZINC000777965650 585724735 /nfs/dbraw/zinc/72/47/35/585724735.db2.gz BRSOMMXAONQCOP-DTWKUNHWSA-N 1 2 248.392 1.958 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCSC2=S)C[C@H]1F ZINC000777965650 585724736 /nfs/dbraw/zinc/72/47/36/585724736.db2.gz BRSOMMXAONQCOP-DTWKUNHWSA-N 1 2 248.392 1.958 20 0 BDADLO CC(C)[C@H]1C[N@H+](CN2C[C@H](C)CC2=O)CCO1 ZINC000777969900 585724887 /nfs/dbraw/zinc/72/48/87/585724887.db2.gz VSAQUTKIZGRMTG-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CN2C[C@H](C)CC2=O)CCO1 ZINC000777969900 585724888 /nfs/dbraw/zinc/72/48/88/585724888.db2.gz VSAQUTKIZGRMTG-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO COCCC[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000778192786 585727401 /nfs/dbraw/zinc/72/74/01/585727401.db2.gz HTZUHEAXCFAHMW-LLVKDONJSA-N 1 2 240.303 1.489 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(Cl)cn1 ZINC000778216669 585728040 /nfs/dbraw/zinc/72/80/40/585728040.db2.gz TULUNVJBNILDAR-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)cn1 ZINC000778216669 585728041 /nfs/dbraw/zinc/72/80/41/585728041.db2.gz TULUNVJBNILDAR-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO Cc1nonc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000778228333 585728282 /nfs/dbraw/zinc/72/82/82/585728282.db2.gz JFPVSLDJPVULGR-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CC=CCC1 ZINC000778576434 585737547 /nfs/dbraw/zinc/73/75/47/585737547.db2.gz GUMHYVDCHRAEOG-TXEJJXNPSA-N 1 2 246.310 1.157 20 0 BDADLO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CC=CCC1 ZINC000778576434 585737548 /nfs/dbraw/zinc/73/75/48/585737548.db2.gz GUMHYVDCHRAEOG-TXEJJXNPSA-N 1 2 246.310 1.157 20 0 BDADLO CCOC(=O)c1cnn(C[N@H+]2CC=CCC2)c1 ZINC000778577976 585737816 /nfs/dbraw/zinc/73/78/16/585737816.db2.gz YDZUQGXWFBQGPF-UHFFFAOYSA-N 1 2 235.287 1.279 20 0 BDADLO CCOC(=O)c1cnn(C[N@@H+]2CC=CCC2)c1 ZINC000778577976 585737817 /nfs/dbraw/zinc/73/78/17/585737817.db2.gz YDZUQGXWFBQGPF-UHFFFAOYSA-N 1 2 235.287 1.279 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(F)nc1 ZINC000779158512 585746480 /nfs/dbraw/zinc/74/64/80/585746480.db2.gz TUSZQFUIZJOYCB-UHFFFAOYSA-N 1 2 240.278 1.604 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(F)nc1 ZINC000779158512 585746481 /nfs/dbraw/zinc/74/64/81/585746481.db2.gz TUSZQFUIZJOYCB-UHFFFAOYSA-N 1 2 240.278 1.604 20 0 BDADLO C[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@@H]1O ZINC000779200109 585747159 /nfs/dbraw/zinc/74/71/59/585747159.db2.gz UTPPEQZWPLKDKG-CABZTGNLSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@@H]1O ZINC000779200109 585747160 /nfs/dbraw/zinc/74/71/60/585747160.db2.gz UTPPEQZWPLKDKG-CABZTGNLSA-N 1 2 236.315 1.755 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779216147 585747518 /nfs/dbraw/zinc/74/75/18/585747518.db2.gz AKKYJBJZEOVFBT-NSHDSACASA-N 1 2 233.315 1.670 20 0 BDADLO Cc1cc([NH2+][C@@H](C)CCO)ccc1-n1cnnn1 ZINC000779424039 585754949 /nfs/dbraw/zinc/75/49/49/585754949.db2.gz XYMDXURNDQRICV-JTQLQIEISA-N 1 2 247.302 1.154 20 0 BDADLO CC[C@@H]1C[C@@H](C(=O)NC2=[NH+]CCS2)CCO1 ZINC000779785935 585763320 /nfs/dbraw/zinc/76/33/20/585763320.db2.gz WVWMRRHVZQQVOP-DTWKUNHWSA-N 1 2 242.344 1.411 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCc1[nH]cc[nH+]1 ZINC000780942077 585786704 /nfs/dbraw/zinc/78/67/04/585786704.db2.gz YZOCKDUQPLJACK-HJWRWDBZSA-N 1 2 207.277 1.772 20 0 BDADLO CCC(C)=C(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000780942077 585786705 /nfs/dbraw/zinc/78/67/05/585786705.db2.gz YZOCKDUQPLJACK-HJWRWDBZSA-N 1 2 207.277 1.772 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCc1[nH]cc[nH+]1 ZINC000780942076 585786760 /nfs/dbraw/zinc/78/67/60/585786760.db2.gz YZOCKDUQPLJACK-CMDGGOBGSA-N 1 2 207.277 1.772 20 0 BDADLO CCC(C)=C(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000780942076 585786761 /nfs/dbraw/zinc/78/67/61/585786761.db2.gz YZOCKDUQPLJACK-CMDGGOBGSA-N 1 2 207.277 1.772 20 0 BDADLO O=C1CCCN1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781148238 585791599 /nfs/dbraw/zinc/79/15/99/585791599.db2.gz BEXFNMNNHFRLJY-SECBINFHSA-N 1 2 248.273 1.270 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781148238 585791600 /nfs/dbraw/zinc/79/16/00/585791600.db2.gz BEXFNMNNHFRLJY-SECBINFHSA-N 1 2 248.273 1.270 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCc1cccs1 ZINC000781943983 585805706 /nfs/dbraw/zinc/80/57/06/585805706.db2.gz DAHZTRPCVUAZOP-SECBINFHSA-N 1 2 247.310 1.993 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCc1cccs1 ZINC000781943983 585805707 /nfs/dbraw/zinc/80/57/07/585805707.db2.gz DAHZTRPCVUAZOP-SECBINFHSA-N 1 2 247.310 1.993 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782146967 585808423 /nfs/dbraw/zinc/80/84/23/585808423.db2.gz LLXWUIDALLHQLH-GXSJLCMTSA-N 1 2 234.299 1.847 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cn1cc[nH]c1=S)CC2 ZINC000782279165 585813673 /nfs/dbraw/zinc/81/36/73/585813673.db2.gz BOTFEUIPUUKHDQ-UHFFFAOYSA-N 1 2 249.343 1.150 20 0 BDADLO C[C@@H]1COc2ccccc2C[N@@H+]1Cn1cnnc1 ZINC000782289963 585814061 /nfs/dbraw/zinc/81/40/61/585814061.db2.gz NHXUNVQSDQPJCM-LLVKDONJSA-N 1 2 244.298 1.519 20 0 BDADLO C[C@@H]1COc2ccccc2C[N@H+]1Cn1cnnc1 ZINC000782289963 585814062 /nfs/dbraw/zinc/81/40/62/585814062.db2.gz NHXUNVQSDQPJCM-LLVKDONJSA-N 1 2 244.298 1.519 20 0 BDADLO O=C(Cc1cncs1)OCCn1cc[nH+]c1 ZINC000782363541 585816414 /nfs/dbraw/zinc/81/64/14/585816414.db2.gz WJKYWJOGXCNUCN-UHFFFAOYSA-N 1 2 237.284 1.126 20 0 BDADLO Cc1ccncc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782583757 585820479 /nfs/dbraw/zinc/82/04/79/585820479.db2.gz LZOBUCCQMXICTB-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782583757 585820480 /nfs/dbraw/zinc/82/04/80/585820480.db2.gz LZOBUCCQMXICTB-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCO[C@H](C)C1 ZINC000783025512 585827215 /nfs/dbraw/zinc/82/72/15/585827215.db2.gz CDWXUTYOFGASNF-GHMZBOCLSA-N 1 2 244.335 1.725 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000783048575 585827376 /nfs/dbraw/zinc/82/73/76/585827376.db2.gz XCQXFLICPDLNRS-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO COCCCCC(=O)OCCCn1cc[nH+]c1 ZINC000783284583 585833080 /nfs/dbraw/zinc/83/30/80/585833080.db2.gz XYYDKXHDWPGJSV-UHFFFAOYSA-N 1 2 240.303 1.633 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCCCS1 ZINC000783392113 585834212 /nfs/dbraw/zinc/83/42/12/585834212.db2.gz LVGBZMYULRJVCK-JTQLQIEISA-N 1 2 240.328 1.749 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000783435869 585835027 /nfs/dbraw/zinc/83/50/27/585835027.db2.gz GCYFUCMETPRASE-LLVKDONJSA-N 1 2 238.287 1.243 20 0 BDADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000783533399 585836181 /nfs/dbraw/zinc/83/61/81/585836181.db2.gz ZNXCZMHZUJFSPU-MRVPVSSYSA-N 1 2 249.318 1.525 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCCCS2)CC[N@@H+]1C ZINC000783651656 585839337 /nfs/dbraw/zinc/83/93/37/585839337.db2.gz XSSFWKKSCYMUQY-MNOVXSKESA-N 1 2 242.388 1.435 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCCCS2)CC[N@H+]1C ZINC000783651656 585839338 /nfs/dbraw/zinc/83/93/38/585839338.db2.gz XSSFWKKSCYMUQY-MNOVXSKESA-N 1 2 242.388 1.435 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783729492 585840915 /nfs/dbraw/zinc/84/09/15/585840915.db2.gz NJRDIINCNJEXHF-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783729492 585840916 /nfs/dbraw/zinc/84/09/16/585840916.db2.gz NJRDIINCNJEXHF-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO CO[C@@H]1C[N@H+](Cn2ccsc2=O)CC[C@@H]1C ZINC000783972034 585846310 /nfs/dbraw/zinc/84/63/10/585846310.db2.gz NCCBXCQNDNCQCH-VHSXEESVSA-N 1 2 242.344 1.224 20 0 BDADLO CO[C@@H]1C[N@@H+](Cn2ccsc2=O)CC[C@@H]1C ZINC000783972034 585846311 /nfs/dbraw/zinc/84/63/11/585846311.db2.gz NCCBXCQNDNCQCH-VHSXEESVSA-N 1 2 242.344 1.224 20 0 BDADLO Cc1cc(NC(=O)[C@@H](F)C(C)C)cc[nH+]1 ZINC000784147054 585851606 /nfs/dbraw/zinc/85/16/06/585851606.db2.gz WZVBIEDYCFNILK-JTQLQIEISA-N 1 2 210.252 1.745 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000784157755 585852042 /nfs/dbraw/zinc/85/20/42/585852042.db2.gz MFZLODAIMSEUBC-SNVBAGLBSA-N 1 2 240.328 1.570 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000784285523 585854666 /nfs/dbraw/zinc/85/46/66/585854666.db2.gz ASECQPVWDLAPMA-NSHDSACASA-N 1 2 238.287 1.386 20 0 BDADLO CC(C)[C@@H](F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000784410557 585858844 /nfs/dbraw/zinc/85/88/44/585858844.db2.gz ILNJGCNAXGVWAL-SNVBAGLBSA-N 1 2 225.267 1.261 20 0 BDADLO C/C=C(\C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784915646 585868632 /nfs/dbraw/zinc/86/86/32/585868632.db2.gz VROSWGICCVZURX-INJWIWPUSA-N 1 2 227.304 1.217 20 0 BDADLO CC1(C)CC[C@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000785273432 585872199 /nfs/dbraw/zinc/87/21/99/585872199.db2.gz QWEROSYLPMUKGT-SNVBAGLBSA-N 1 2 238.287 1.384 20 0 BDADLO Cc1nc(F)ccc1C[NH2+]Cc1ccn(C)n1 ZINC000785509019 585874736 /nfs/dbraw/zinc/87/47/36/585874736.db2.gz JKFBRMKUWFGXGM-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO COCC[N@H+](C/C=C\Cl)Cc1ccnn1C ZINC000786226055 585888881 /nfs/dbraw/zinc/88/88/81/585888881.db2.gz DLULSMLMZNJIJB-HYXAFXHYSA-N 1 2 243.738 1.621 20 0 BDADLO COCC[N@@H+](C/C=C\Cl)Cc1ccnn1C ZINC000786226055 585888882 /nfs/dbraw/zinc/88/88/82/585888882.db2.gz DLULSMLMZNJIJB-HYXAFXHYSA-N 1 2 243.738 1.621 20 0 BDADLO O=C(OC1CC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000786466423 585891950 /nfs/dbraw/zinc/89/19/50/585891950.db2.gz VOPNSZJNGRPKHY-UHFFFAOYSA-N 1 2 229.239 1.587 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+](CCF)C1CC1 ZINC000787350460 585907504 /nfs/dbraw/zinc/90/75/04/585907504.db2.gz CITJDQJIEFPIGU-JTQLQIEISA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+](CCF)C1CC1 ZINC000787350460 585907505 /nfs/dbraw/zinc/90/75/05/585907505.db2.gz CITJDQJIEFPIGU-JTQLQIEISA-N 1 2 217.284 1.762 20 0 BDADLO O[C@@H]1C[N@H+](CCc2cccs2)CC(F)(F)C1 ZINC000787369799 585907928 /nfs/dbraw/zinc/90/79/28/585907928.db2.gz RKKVWFHEMZZXNQ-VIFPVBQESA-N 1 2 247.310 1.993 20 0 BDADLO O[C@@H]1C[N@@H+](CCc2cccs2)CC(F)(F)C1 ZINC000787369799 585907929 /nfs/dbraw/zinc/90/79/29/585907929.db2.gz RKKVWFHEMZZXNQ-VIFPVBQESA-N 1 2 247.310 1.993 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cccc2c1OCO2 ZINC000787769218 585915420 /nfs/dbraw/zinc/91/54/20/585915420.db2.gz CHQUPHVGTKAKCW-UHFFFAOYSA-N 1 2 245.282 1.770 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CCC1=O ZINC000788461462 585924984 /nfs/dbraw/zinc/92/49/84/585924984.db2.gz WZKKGSITCPAKFZ-NSHDSACASA-N 1 2 247.342 1.559 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CCC1=O ZINC000788461462 585924985 /nfs/dbraw/zinc/92/49/85/585924985.db2.gz WZKKGSITCPAKFZ-NSHDSACASA-N 1 2 247.342 1.559 20 0 BDADLO C/C=C(/CC)C(=O)OCCn1cc[nH+]c1 ZINC000789234119 585937735 /nfs/dbraw/zinc/93/77/35/585937735.db2.gz NLHXKMZIVGJHFG-KMKOMSMNSA-N 1 2 208.261 1.783 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC1(F)CC1 ZINC000789596397 585945301 /nfs/dbraw/zinc/94/53/01/585945301.db2.gz KVUHPPLXJCEFRN-SNVBAGLBSA-N 1 2 229.295 1.906 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC1(F)CC1 ZINC000789596397 585945302 /nfs/dbraw/zinc/94/53/02/585945302.db2.gz KVUHPPLXJCEFRN-SNVBAGLBSA-N 1 2 229.295 1.906 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000789608523 585946257 /nfs/dbraw/zinc/94/62/57/585946257.db2.gz KJMWHVLBRLTTBM-DTWKUNHWSA-N 1 2 216.281 1.089 20 0 BDADLO CCn1cc(C(=O)OCCc2c[nH+]cn2C)cn1 ZINC000789777133 585949697 /nfs/dbraw/zinc/94/96/97/585949697.db2.gz NZQJZIBIYNPNOO-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO CCOCCCC(=O)OCCc1c[nH+]cn1C ZINC000789773573 585949701 /nfs/dbraw/zinc/94/97/01/585949701.db2.gz WOOUSHXQLRAELM-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccoc1 ZINC000789777296 585949721 /nfs/dbraw/zinc/94/97/21/585949721.db2.gz SEZDFAOMGRFVKK-UHFFFAOYSA-N 1 2 220.228 1.413 20 0 BDADLO CCCC(=O)OCCCc1[nH+]ccn1C ZINC000789791210 585950399 /nfs/dbraw/zinc/95/03/99/585950399.db2.gz GDNMDHULUMAMNF-UHFFFAOYSA-N 1 2 210.277 1.696 20 0 BDADLO C/C=C(\C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790133674 585958583 /nfs/dbraw/zinc/95/85/83/585958583.db2.gz YDXLVVQRWYWNPI-JVOXIWMLSA-N 1 2 240.347 1.132 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CCO1 ZINC000790430987 585964593 /nfs/dbraw/zinc/96/45/93/585964593.db2.gz HAEYIJHTOOTCOS-UWVGGRQHSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+]([C@H]2CCOC2=O)CCO1 ZINC000790430987 585964594 /nfs/dbraw/zinc/96/45/94/585964594.db2.gz HAEYIJHTOOTCOS-UWVGGRQHSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)c1cncnc1/C=C\c1[nH]cc[nH+]1 ZINC000790610869 585966807 /nfs/dbraw/zinc/96/68/07/585966807.db2.gz XPRYQUBVQGKIIK-IHWYPQMZSA-N 1 2 230.227 1.157 20 0 BDADLO COC(=O)c1cncnc1/C=C/c1[nH]cc[nH+]1 ZINC000790610870 585966866 /nfs/dbraw/zinc/96/68/66/585966866.db2.gz XPRYQUBVQGKIIK-NSCUHMNNSA-N 1 2 230.227 1.157 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791748862 585987306 /nfs/dbraw/zinc/98/73/06/585987306.db2.gz JHMWTBFGZGUDKU-NXEZZACHSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1ocnc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791902968 585991015 /nfs/dbraw/zinc/99/10/15/585991015.db2.gz ZJXSXXHQNBRHGJ-UHFFFAOYSA-N 1 2 233.227 1.317 20 0 BDADLO Cc1cncc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791968795 585992682 /nfs/dbraw/zinc/99/26/82/585992682.db2.gz AFRVUAYRJJVPAR-UHFFFAOYSA-N 1 2 243.266 1.724 20 0 BDADLO Nc1cc(COC(=O)C2CC(F)(F)C2)cc[nH+]1 ZINC000791994992 585992851 /nfs/dbraw/zinc/99/28/51/585992851.db2.gz KRBCWBIGIFNSJX-UHFFFAOYSA-N 1 2 242.225 1.752 20 0 BDADLO C[C@@H](O)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000792116843 585996136 /nfs/dbraw/zinc/99/61/36/585996136.db2.gz FPRONUVSFQPBPO-PWSUYJOCSA-N 1 2 237.299 1.213 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2C[C@@]23CCOC3)cc[nH+]1 ZINC000792130327 585996182 /nfs/dbraw/zinc/99/61/82/585996182.db2.gz RWEHCKRNGWQVHB-GXFFZTMASA-N 1 2 248.282 1.134 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCc2cc[nH+]c(N)c2)CO1 ZINC000792168582 585997057 /nfs/dbraw/zinc/99/70/57/585997057.db2.gz AWYFLBBWGXHPMJ-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1cc(CC(=O)OCc2cc[nH+]c(N)c2)no1 ZINC000792201664 585997796 /nfs/dbraw/zinc/99/77/96/585997796.db2.gz NBUHMIICFGYIHQ-UHFFFAOYSA-N 1 2 247.254 1.246 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792220292 585998025 /nfs/dbraw/zinc/99/80/25/585998025.db2.gz BGWOJCPNWCSDNZ-NSHDSACASA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792220292 585998026 /nfs/dbraw/zinc/99/80/26/585998026.db2.gz BGWOJCPNWCSDNZ-NSHDSACASA-N 1 2 249.314 1.327 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1Cc1ccnc(F)c1 ZINC000859277427 589027225 /nfs/dbraw/zinc/02/72/25/589027225.db2.gz WPFVXDIXTQIJLL-VIFPVBQESA-N 1 2 247.277 1.389 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1ccnc(F)c1 ZINC000859277427 589027226 /nfs/dbraw/zinc/02/72/26/589027226.db2.gz WPFVXDIXTQIJLL-VIFPVBQESA-N 1 2 247.277 1.389 20 0 BDADLO Cc1ccnc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000792296951 585999375 /nfs/dbraw/zinc/99/93/75/585999375.db2.gz FDRWQRKWAOMFET-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccnc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000792296951 585999376 /nfs/dbraw/zinc/99/93/76/585999376.db2.gz FDRWQRKWAOMFET-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO CC(C)[N@H+](CCS(C)(=O)=O)CC1(F)CC1 ZINC000792832265 586005676 /nfs/dbraw/zinc/00/56/76/586005676.db2.gz KVKRQJMEPYNOKZ-UHFFFAOYSA-N 1 2 237.340 1.244 20 0 BDADLO CC(C)[N@@H+](CCS(C)(=O)=O)CC1(F)CC1 ZINC000792832265 586005677 /nfs/dbraw/zinc/00/56/77/586005677.db2.gz KVKRQJMEPYNOKZ-UHFFFAOYSA-N 1 2 237.340 1.244 20 0 BDADLO CS[C@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000793252644 586015233 /nfs/dbraw/zinc/01/52/33/586015233.db2.gz IOUDRPVHINHLOW-SECBINFHSA-N 1 2 242.344 1.647 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC1CCC1 ZINC000793646817 586024493 /nfs/dbraw/zinc/02/44/93/586024493.db2.gz WSEOVNQWESBPJC-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCCO1 ZINC000794519217 586041506 /nfs/dbraw/zinc/04/15/06/586041506.db2.gz DQDIGKMOWMTLQN-VIFPVBQESA-N 1 2 216.281 1.089 20 0 BDADLO NC(Cc1cccs1)=[NH+]OC[C@H]1CCCO1 ZINC000794520719 586041537 /nfs/dbraw/zinc/04/15/37/586041537.db2.gz PGGPUCPAPHETNG-SECBINFHSA-N 1 2 240.328 1.968 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cncc(F)c1 ZINC000794884864 586053108 /nfs/dbraw/zinc/05/31/08/586053108.db2.gz UVQWKZQUDBTEEO-SSDOTTSWSA-N 1 2 227.239 1.254 20 0 BDADLO CC1=C(C)C[N@H+](Cn2ncn(C)c2=S)CC1 ZINC000794888722 586053669 /nfs/dbraw/zinc/05/36/69/586053669.db2.gz BJKKHTWOVUMDIT-UHFFFAOYSA-N 1 2 238.360 1.951 20 0 BDADLO CC1=C(C)C[N@@H+](Cn2ncn(C)c2=S)CC1 ZINC000794888722 586053670 /nfs/dbraw/zinc/05/36/70/586053670.db2.gz BJKKHTWOVUMDIT-UHFFFAOYSA-N 1 2 238.360 1.951 20 0 BDADLO Cc1ncc(CO[NH+]=C(N)c2ccccc2)cn1 ZINC000795197072 586070992 /nfs/dbraw/zinc/07/09/92/586070992.db2.gz KSEOPLDVYOJDKE-UHFFFAOYSA-N 1 2 242.282 1.832 20 0 BDADLO Cc1ncc(CO[NH+]=C(N)COC(C)C)cn1 ZINC000795205932 586071791 /nfs/dbraw/zinc/07/17/91/586071791.db2.gz LBQZUNISVRJRTG-UHFFFAOYSA-N 1 2 238.291 1.208 20 0 BDADLO Cc1nccc(COC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000795519929 586082772 /nfs/dbraw/zinc/08/27/72/586082772.db2.gz BHSOMFDFAJUXBW-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1nccc(COC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000795519929 586082773 /nfs/dbraw/zinc/08/27/73/586082773.db2.gz BHSOMFDFAJUXBW-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+](C)CCF ZINC000795553944 586085220 /nfs/dbraw/zinc/08/52/20/586085220.db2.gz ADSJHRNIEAZSTF-VIFPVBQESA-N 1 2 205.273 1.475 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCF ZINC000795553944 586085221 /nfs/dbraw/zinc/08/52/21/586085221.db2.gz ADSJHRNIEAZSTF-VIFPVBQESA-N 1 2 205.273 1.475 20 0 BDADLO CCCCOCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795652039 586089965 /nfs/dbraw/zinc/08/99/65/586089965.db2.gz LQPPDTGBIOMYNE-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795652039 586089966 /nfs/dbraw/zinc/08/99/66/586089966.db2.gz LQPPDTGBIOMYNE-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO C[N@H+](Cc1ccncc1)[C@@H]1CC(C)(C)OC1=O ZINC000795684885 586091250 /nfs/dbraw/zinc/09/12/50/586091250.db2.gz BNSNNPFAKJTYHV-LLVKDONJSA-N 1 2 234.299 1.608 20 0 BDADLO C[N@@H+](Cc1ccncc1)[C@@H]1CC(C)(C)OC1=O ZINC000795684885 586091251 /nfs/dbraw/zinc/09/12/51/586091251.db2.gz BNSNNPFAKJTYHV-LLVKDONJSA-N 1 2 234.299 1.608 20 0 BDADLO CC(=O)CC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000796307698 586100015 /nfs/dbraw/zinc/10/00/15/586100015.db2.gz CJNZZVKZBKWBAL-IONNQARKSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000796307698 586100016 /nfs/dbraw/zinc/10/00/16/586100016.db2.gz CJNZZVKZBKWBAL-IONNQARKSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000796307696 586100153 /nfs/dbraw/zinc/10/01/53/586100153.db2.gz CJNZZVKZBKWBAL-CBAPKCEASA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000796307696 586100154 /nfs/dbraw/zinc/10/01/54/586100154.db2.gz CJNZZVKZBKWBAL-CBAPKCEASA-N 1 2 239.237 1.617 20 0 BDADLO CON(CC[NH+]1CCOCC1)CC(C)(C)C ZINC000796472939 586104897 /nfs/dbraw/zinc/10/48/97/586104897.db2.gz ZJJQJLNYPZFETG-UHFFFAOYSA-N 1 2 230.352 1.228 20 0 BDADLO CCc1nnc(C[NH+]2CCC(F)(F)CC2)o1 ZINC000796541977 586106260 /nfs/dbraw/zinc/10/62/60/586106260.db2.gz QOXONJCWJSRYSB-UHFFFAOYSA-N 1 2 231.246 1.863 20 0 BDADLO FC1(F)CC[NH+](Cc2ncccn2)CC1 ZINC000796540497 586106327 /nfs/dbraw/zinc/10/63/27/586106327.db2.gz JXAXDNKBLLSRGF-UHFFFAOYSA-N 1 2 213.231 1.708 20 0 BDADLO C[C@@]1(C(N)=O)CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000796580796 586107698 /nfs/dbraw/zinc/10/76/98/586107698.db2.gz LPHCGXLWPYCYAX-MRVPVSSYSA-N 1 2 242.216 1.084 20 0 BDADLO C[C@@]1(C(N)=O)CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000796580796 586107699 /nfs/dbraw/zinc/10/76/99/586107699.db2.gz LPHCGXLWPYCYAX-MRVPVSSYSA-N 1 2 242.216 1.084 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cn2ccsc2=O)C1 ZINC000797416874 586126656 /nfs/dbraw/zinc/12/66/56/586126656.db2.gz LEVJIQLDSMFJEX-VIFPVBQESA-N 1 2 224.329 1.765 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cn2ccsc2=O)C1 ZINC000797416874 586126657 /nfs/dbraw/zinc/12/66/57/586126657.db2.gz LEVJIQLDSMFJEX-VIFPVBQESA-N 1 2 224.329 1.765 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1[nH]ccc1C ZINC000797875188 586133605 /nfs/dbraw/zinc/13/36/05/586133605.db2.gz SWPIDFMVDZLRQL-UHFFFAOYSA-N 1 2 229.283 1.955 20 0 BDADLO Clc1cnc(C[N@H+]2CC=CCC2)cn1 ZINC000799161006 586162621 /nfs/dbraw/zinc/16/26/21/586162621.db2.gz OEJFYVKCVHNGHZ-UHFFFAOYSA-N 1 2 209.680 1.892 20 0 BDADLO Clc1cnc(C[N@@H+]2CC=CCC2)cn1 ZINC000799161006 586162622 /nfs/dbraw/zinc/16/26/22/586162622.db2.gz OEJFYVKCVHNGHZ-UHFFFAOYSA-N 1 2 209.680 1.892 20 0 BDADLO CC(C)CCOC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000859335381 589032198 /nfs/dbraw/zinc/03/21/98/589032198.db2.gz VQISMKTUOSCSKS-LLVKDONJSA-N 1 2 244.335 1.089 20 0 BDADLO CC(C)CCOC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000859335381 589032199 /nfs/dbraw/zinc/03/21/99/589032199.db2.gz VQISMKTUOSCSKS-LLVKDONJSA-N 1 2 244.335 1.089 20 0 BDADLO CCOC(C[N@@H+]1CCOCC12CC2)OCC ZINC000801981209 586285100 /nfs/dbraw/zinc/28/51/00/586285100.db2.gz KUHNLLKTWUUPRS-UHFFFAOYSA-N 1 2 229.320 1.250 20 0 BDADLO CCOC(C[N@H+]1CCOCC12CC2)OCC ZINC000801981209 586285103 /nfs/dbraw/zinc/28/51/03/586285103.db2.gz KUHNLLKTWUUPRS-UHFFFAOYSA-N 1 2 229.320 1.250 20 0 BDADLO CC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCC1 ZINC000802235057 586297541 /nfs/dbraw/zinc/29/75/41/586297541.db2.gz VQAOMHLYFANMPL-SNVBAGLBSA-N 1 2 229.295 1.764 20 0 BDADLO CC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCC1 ZINC000802235057 586297543 /nfs/dbraw/zinc/29/75/43/586297543.db2.gz VQAOMHLYFANMPL-SNVBAGLBSA-N 1 2 229.295 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1CC=CC1 ZINC000802233698 586297652 /nfs/dbraw/zinc/29/76/52/586297652.db2.gz RILZRMHRWZLMIN-NSHDSACASA-N 1 2 227.279 1.540 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1CC=CC1 ZINC000802233698 586297653 /nfs/dbraw/zinc/29/76/53/586297653.db2.gz RILZRMHRWZLMIN-NSHDSACASA-N 1 2 227.279 1.540 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC1(C)C)CC2 ZINC000859510008 589041603 /nfs/dbraw/zinc/04/16/03/589041603.db2.gz AWFBSFFADAKUGB-NSHDSACASA-N 1 2 247.342 1.765 20 0 BDADLO CC[C@@H](SC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241286 586299306 /nfs/dbraw/zinc/29/93/06/586299306.db2.gz ZGMGCGBFPVWXCG-NXEZZACHSA-N 1 2 249.351 1.715 20 0 BDADLO CC[C@@H](SC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241286 586299307 /nfs/dbraw/zinc/29/93/07/586299307.db2.gz ZGMGCGBFPVWXCG-NXEZZACHSA-N 1 2 249.351 1.715 20 0 BDADLO Cn1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1 ZINC000802244332 586299401 /nfs/dbraw/zinc/29/94/01/586299401.db2.gz NLQSILITQUGESV-LLVKDONJSA-N 1 2 240.278 1.226 20 0 BDADLO Cn1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC000802244332 586299403 /nfs/dbraw/zinc/29/94/03/586299403.db2.gz NLQSILITQUGESV-LLVKDONJSA-N 1 2 240.278 1.226 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@@H](C)CO1 ZINC000839959257 586300272 /nfs/dbraw/zinc/30/02/72/586300272.db2.gz KNVRGOYEDIDIAT-QCNOEVLYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@@H](C)CO1 ZINC000839959257 586300275 /nfs/dbraw/zinc/30/02/75/586300275.db2.gz KNVRGOYEDIDIAT-QCNOEVLYSA-N 1 2 238.331 1.064 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCC(C)(C)C2=O)CCO1 ZINC000839960492 586300280 /nfs/dbraw/zinc/30/02/80/586300280.db2.gz QMDHSDQVMKTECM-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCC(C)(C)C2=O)CCO1 ZINC000839960492 586300283 /nfs/dbraw/zinc/30/02/83/586300283.db2.gz QMDHSDQVMKTECM-LLVKDONJSA-N 1 2 240.347 1.313 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000802661014 586308570 /nfs/dbraw/zinc/30/85/70/586308570.db2.gz DIISWEGBUWWVGW-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000802661014 586308573 /nfs/dbraw/zinc/30/85/73/586308573.db2.gz DIISWEGBUWWVGW-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO CCCOCC(=O)OCCCc1[nH+]ccn1C ZINC000802787735 586314268 /nfs/dbraw/zinc/31/42/68/586314268.db2.gz KBQPTRWHBREEIJ-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO FC1(F)CCC[N@H+](Cc2cnon2)CC1 ZINC000859539868 589043821 /nfs/dbraw/zinc/04/38/21/589043821.db2.gz BKBUQMLNZHBJNB-UHFFFAOYSA-N 1 2 217.219 1.691 20 0 BDADLO FC1(F)CCC[N@@H+](Cc2cnon2)CC1 ZINC000859539868 589043823 /nfs/dbraw/zinc/04/38/23/589043823.db2.gz BKBUQMLNZHBJNB-UHFFFAOYSA-N 1 2 217.219 1.691 20 0 BDADLO O=C1[C@@H]2CCC[C@@H]2N1C[NH+]1Cc2ccccc2C1 ZINC000839990567 586332692 /nfs/dbraw/zinc/33/26/92/586332692.db2.gz IAGBNCHHNIUNEQ-KGLIPLIRSA-N 1 2 242.322 1.971 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccncc1 ZINC000803361077 586347159 /nfs/dbraw/zinc/34/71/59/586347159.db2.gz IHKFFYXHUXTCBK-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccncc1 ZINC000803361077 586347161 /nfs/dbraw/zinc/34/71/61/586347161.db2.gz IHKFFYXHUXTCBK-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO C[C@H]1OCC[N@H+](CN2CCC(C)(C)C2=O)[C@H]1C ZINC000840030576 586385188 /nfs/dbraw/zinc/38/51/88/586385188.db2.gz YLXAJQYQSVZBKL-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2CCC(C)(C)C2=O)[C@H]1C ZINC000840030576 586385190 /nfs/dbraw/zinc/38/51/90/586385190.db2.gz YLXAJQYQSVZBKL-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)C(=O)[C@@H]1C ZINC000840040543 586391031 /nfs/dbraw/zinc/39/10/31/586391031.db2.gz FWBNQUDLIGXJOV-KXNHARMFSA-N 1 2 242.338 1.738 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)C(=O)[C@@H]1C ZINC000840040543 586391034 /nfs/dbraw/zinc/39/10/34/586391034.db2.gz FWBNQUDLIGXJOV-KXNHARMFSA-N 1 2 242.338 1.738 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335392 586391495 /nfs/dbraw/zinc/39/14/95/586391495.db2.gz YFQJIUVWXXWZCY-JWVODRKRSA-N 1 2 231.299 1.446 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335413 586391819 /nfs/dbraw/zinc/39/18/19/586391819.db2.gz YSZNGSQKIPPGTD-ZADCQDASSA-N 1 2 247.342 1.916 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804338032 586392382 /nfs/dbraw/zinc/39/23/82/586392382.db2.gz GRPFHDUKMPTOKJ-ONGXEEELSA-N 1 2 239.294 1.308 20 0 BDADLO CC(C)[C@H]1C[N@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840043572 586393051 /nfs/dbraw/zinc/39/30/51/586393051.db2.gz ULVKFXWSKZCESO-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CN2CC[C@H](C)C2=O)CCO1 ZINC000840043572 586393054 /nfs/dbraw/zinc/39/30/54/586393054.db2.gz ULVKFXWSKZCESO-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCC(C)(C)C2=O)C[C@H]1F ZINC000840043926 586393210 /nfs/dbraw/zinc/39/32/10/586393210.db2.gz WKSLXSFQNQMOCX-WDEREUQCSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCC(C)(C)C2=O)C[C@H]1F ZINC000840043926 586393213 /nfs/dbraw/zinc/39/32/13/586393213.db2.gz WKSLXSFQNQMOCX-WDEREUQCSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1C(=O)N(C[NH+]2CCC(F)(F)CC2)C[C@H]1C ZINC000840060185 586410513 /nfs/dbraw/zinc/41/05/13/586410513.db2.gz LWXYPPLNUKNIKD-NXEZZACHSA-N 1 2 246.301 1.789 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccc(F)cn1 ZINC000806821880 586419200 /nfs/dbraw/zinc/41/92/00/586419200.db2.gz SLCZHBKGCGEGQT-UHFFFAOYSA-N 1 2 248.261 1.145 20 0 BDADLO COC[C@@H]1CC[N@@H+]1CN1C[C@@H](C(C)C)CC1=O ZINC000840084645 586423735 /nfs/dbraw/zinc/42/37/35/586423735.db2.gz VIODZRAPHPTZBQ-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@@H]1CC[N@H+]1CN1C[C@@H](C(C)C)CC1=O ZINC000840084645 586423736 /nfs/dbraw/zinc/42/37/36/586423736.db2.gz VIODZRAPHPTZBQ-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO CC[NH2+]Cc1noc(CCc2nccs2)n1 ZINC000843145476 586445061 /nfs/dbraw/zinc/44/50/61/586445061.db2.gz NAAOGDCSXUXOBN-UHFFFAOYSA-N 1 2 238.316 1.421 20 0 BDADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@H+]1CC[C@@H](F)C1 ZINC000840102638 586446523 /nfs/dbraw/zinc/44/65/23/586446523.db2.gz YJUJOAZGHAXSGF-GMTAPVOTSA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@@H]2CCC[C@@H]2CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000840102638 586446524 /nfs/dbraw/zinc/44/65/24/586446524.db2.gz YJUJOAZGHAXSGF-GMTAPVOTSA-N 1 2 226.295 1.246 20 0 BDADLO CC1(C)CCC(=O)N1C[N@@H+]1CC[C@H](F)C1 ZINC000840102558 586446562 /nfs/dbraw/zinc/44/65/62/586446562.db2.gz QKLSDLFVYXCKDY-VIFPVBQESA-N 1 2 214.284 1.389 20 0 BDADLO CC1(C)CCC(=O)N1C[N@H+]1CC[C@H](F)C1 ZINC000840102558 586446563 /nfs/dbraw/zinc/44/65/63/586446563.db2.gz QKLSDLFVYXCKDY-VIFPVBQESA-N 1 2 214.284 1.389 20 0 BDADLO CO[C@H]1CC[N@H+](Cn2cc(Cl)cn2)C[C@@H]1C ZINC000840121919 586449836 /nfs/dbraw/zinc/44/98/36/586449836.db2.gz BWSLBZZPJYODKI-ONGXEEELSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@H]1CC[N@@H+](Cn2cc(Cl)cn2)C[C@@H]1C ZINC000840121919 586449838 /nfs/dbraw/zinc/44/98/38/586449838.db2.gz BWSLBZZPJYODKI-ONGXEEELSA-N 1 2 243.738 1.851 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CCC2(C)C)C[C@H](C)O1 ZINC000808133857 586464034 /nfs/dbraw/zinc/46/40/34/586464034.db2.gz LHMJMIFNODUKCN-PHIMTYICSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CCC2(C)C)C[C@H](C)O1 ZINC000808133857 586464035 /nfs/dbraw/zinc/46/40/35/586464035.db2.gz LHMJMIFNODUKCN-PHIMTYICSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H]1OCC[N@H+](CN2CC(C)(C)CC2=O)[C@H]1C ZINC000808171299 586466447 /nfs/dbraw/zinc/46/64/47/586466447.db2.gz KHFSCQBILXBYPE-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2CC(C)(C)CC2=O)[C@H]1C ZINC000808171299 586466449 /nfs/dbraw/zinc/46/64/49/586466449.db2.gz KHFSCQBILXBYPE-WDEREUQCSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CC(C)(C)CC2=O)C[C@H]1F ZINC000808176242 586466650 /nfs/dbraw/zinc/46/66/50/586466650.db2.gz CDNMSIOOXHWQBS-GHMZBOCLSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CC(C)(C)CC2=O)C[C@H]1F ZINC000808176242 586466651 /nfs/dbraw/zinc/46/66/51/586466651.db2.gz CDNMSIOOXHWQBS-GHMZBOCLSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1OCC[N@H+](CN2CC(C)(C)CC2=O)[C@@H]1C ZINC000808171296 586466699 /nfs/dbraw/zinc/46/66/99/586466699.db2.gz KHFSCQBILXBYPE-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2CC(C)(C)CC2=O)[C@@H]1C ZINC000808171296 586466700 /nfs/dbraw/zinc/46/67/00/586466700.db2.gz KHFSCQBILXBYPE-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO COc1cncc(CO[NH+]=C(N)[C@H](C)OC)c1 ZINC000808258443 586468621 /nfs/dbraw/zinc/46/86/21/586468621.db2.gz JWAWSPBKKGPTEP-QMMMGPOBSA-N 1 2 239.275 1.124 20 0 BDADLO Cn1c[nH+]c(CNc2ccc(OCCO)cc2)c1 ZINC000808397541 586470919 /nfs/dbraw/zinc/47/09/19/586470919.db2.gz FWHYABKUGRMZRI-UHFFFAOYSA-N 1 2 247.298 1.403 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2cccnc2F)nn1 ZINC000808411158 586471642 /nfs/dbraw/zinc/47/16/42/586471642.db2.gz UEDKOQWIRCXEIP-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc3ccccc3[nH]2)n1 ZINC000808415895 586471743 /nfs/dbraw/zinc/47/17/43/586471743.db2.gz IKIHXQIYBHRONI-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnn2ccccc12 ZINC000809745650 586516468 /nfs/dbraw/zinc/51/64/68/586516468.db2.gz YEZZAMRBGVUQJZ-UHFFFAOYSA-N 1 2 243.270 1.316 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1CCCSC1 ZINC000809960388 586526256 /nfs/dbraw/zinc/52/62/56/586526256.db2.gz NFALJQOXDFHSDY-SSDOTTSWSA-N 1 2 230.358 1.349 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccn1 ZINC000809972222 586527525 /nfs/dbraw/zinc/52/75/25/586527525.db2.gz GEBLEGOOUTXNPU-CYBMUJFWSA-N 1 2 245.330 1.697 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](Cc1cnn(C)n1)C2 ZINC000809986641 586528892 /nfs/dbraw/zinc/52/88/92/586528892.db2.gz MFPAJDYNEZVLIZ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](Cc1cnn(C)n1)C2 ZINC000809986641 586528894 /nfs/dbraw/zinc/52/88/94/586528894.db2.gz MFPAJDYNEZVLIZ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCc1c[nH+]cn1C ZINC000810755160 586546188 /nfs/dbraw/zinc/54/61/88/586546188.db2.gz NBAIKMVWQCLDKB-SECBINFHSA-N 1 2 213.256 1.030 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CCC(F)(F)CC1 ZINC000811499273 586559850 /nfs/dbraw/zinc/55/98/50/586559850.db2.gz LMQVMSXBVVYLAP-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CCC(F)(F)CC1 ZINC000811499273 586559851 /nfs/dbraw/zinc/55/98/51/586559851.db2.gz LMQVMSXBVVYLAP-UHFFFAOYSA-N 1 2 215.247 1.949 20 0 BDADLO Cn1c[nH+]cc1CNC(=S)NC(C)(C)C ZINC000811700735 586565772 /nfs/dbraw/zinc/56/57/72/586565772.db2.gz FMBGFSJQPUCACD-UHFFFAOYSA-N 1 2 226.349 1.183 20 0 BDADLO CCCNC(=S)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811712333 586566147 /nfs/dbraw/zinc/56/61/47/586566147.db2.gz QBGQPKCQXPRLAV-QMMMGPOBSA-N 1 2 238.360 1.141 20 0 BDADLO CCCNC(=S)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811712333 586566148 /nfs/dbraw/zinc/56/61/48/586566148.db2.gz QBGQPKCQXPRLAV-QMMMGPOBSA-N 1 2 238.360 1.141 20 0 BDADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc[nH]1 ZINC000811897733 586568250 /nfs/dbraw/zinc/56/82/50/586568250.db2.gz ADESJGLGDLYIJJ-SECBINFHSA-N 1 2 247.302 1.309 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000812349352 586574325 /nfs/dbraw/zinc/57/43/25/586574325.db2.gz MSXLQVSYYBVUEH-ZJUUUORDSA-N 1 2 247.298 1.488 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000812636339 586581286 /nfs/dbraw/zinc/58/12/86/586581286.db2.gz MTRUCQFFWIAZTR-GHMZBOCLSA-N 1 2 222.288 1.863 20 0 BDADLO C[C@H]1COCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000840277752 586589797 /nfs/dbraw/zinc/58/97/97/586589797.db2.gz LNJVWEDLWJBPLX-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1COCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000840277752 586589798 /nfs/dbraw/zinc/58/97/98/586589798.db2.gz LNJVWEDLWJBPLX-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cccnc2C)[nH]1 ZINC000813331945 586600530 /nfs/dbraw/zinc/60/05/30/586600530.db2.gz YDFQEUGYSMYIJO-VIFPVBQESA-N 1 2 231.303 1.667 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2cn(C)cn2)o1 ZINC000813791592 586606436 /nfs/dbraw/zinc/60/64/36/586606436.db2.gz DEUWZNRJFXWMRT-UHFFFAOYSA-N 1 2 248.330 1.959 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H](F)C(C)C ZINC000814328083 586621411 /nfs/dbraw/zinc/62/14/11/586621411.db2.gz WYMHETQNIIXKPP-LLVKDONJSA-N 1 2 240.278 1.701 20 0 BDADLO CCCS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@H]1C ZINC000815164523 586672277 /nfs/dbraw/zinc/67/22/77/586672277.db2.gz XPOQTCUAXNICFT-VHSXEESVSA-N 1 2 219.350 1.151 20 0 BDADLO CCCS(=O)(=O)CC[N@H+]1C[C@H](C)[C@H]1C ZINC000815164523 586672279 /nfs/dbraw/zinc/67/22/79/586672279.db2.gz XPOQTCUAXNICFT-VHSXEESVSA-N 1 2 219.350 1.151 20 0 BDADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)CO ZINC000816241628 586714709 /nfs/dbraw/zinc/71/47/09/586714709.db2.gz ZWVFPYBNEBONBI-UHFFFAOYSA-N 1 2 223.272 1.549 20 0 BDADLO C[NH+]1CCC(ONC(=O)[C@H]2CCCS2)CC1 ZINC000816533978 586739143 /nfs/dbraw/zinc/73/91/43/586739143.db2.gz RNLCAOHQFGETAP-SNVBAGLBSA-N 1 2 244.360 1.024 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1Cl)[C@H]1CCOC1 ZINC000816617411 586744649 /nfs/dbraw/zinc/74/46/49/586744649.db2.gz YBXUIXUIVYCVKN-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1Cl)[C@H]1CCOC1 ZINC000816617411 586744651 /nfs/dbraw/zinc/74/46/51/586744651.db2.gz YBXUIXUIVYCVKN-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816815316 586765537 /nfs/dbraw/zinc/76/55/37/586765537.db2.gz RWDRKWSTDLMKFJ-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(F)cc1 ZINC000816832427 586767058 /nfs/dbraw/zinc/76/70/58/586767058.db2.gz AJGFGHAAWBRNKI-UHFFFAOYSA-N 1 2 219.219 1.730 20 0 BDADLO CC(C)CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816839443 586767780 /nfs/dbraw/zinc/76/77/80/586767780.db2.gz FUPAPCCFHYVTAW-JTQLQIEISA-N 1 2 223.320 1.893 20 0 BDADLO COCc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816858340 586768431 /nfs/dbraw/zinc/76/84/31/586768431.db2.gz LCABAXBLTYROAV-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO Cc1ccsc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816904885 586770510 /nfs/dbraw/zinc/77/05/10/586770510.db2.gz HHULCLSHCDGULF-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccncc1 ZINC000816934291 586772201 /nfs/dbraw/zinc/77/22/01/586772201.db2.gz SSUBJNWRSFFHEP-NSHDSACASA-N 1 2 244.298 1.615 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC12CC2 ZINC000817232951 586786829 /nfs/dbraw/zinc/78/68/29/586786829.db2.gz PLYPCEBFIRQKOS-JTQLQIEISA-N 1 2 220.272 1.306 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H](CC)O1 ZINC000817280399 586792330 /nfs/dbraw/zinc/79/23/30/586792330.db2.gz FCMYPUXVQMXCMX-PHIMTYICSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nonc2C)C[C@H](CC)O1 ZINC000817280399 586792333 /nfs/dbraw/zinc/79/23/33/586792333.db2.gz FCMYPUXVQMXCMX-PHIMTYICSA-N 1 2 239.319 1.767 20 0 BDADLO O=C(NOCCC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000817412968 586802095 /nfs/dbraw/zinc/80/20/95/586802095.db2.gz JUPCERSQONRALS-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO CC[C@H](CO)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817621451 586814413 /nfs/dbraw/zinc/81/44/13/586814413.db2.gz UERJTIORPHJJMA-GFCCVEGCSA-N 1 2 236.315 1.333 20 0 BDADLO CC(C)c1nc(NC[C@@H]2CCCNC2=O)cc[nH+]1 ZINC000840349344 586828676 /nfs/dbraw/zinc/82/86/76/586828676.db2.gz HCUWXWGOFAIYMB-JTQLQIEISA-N 1 2 248.330 1.538 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)COC(C)(C)C)C1CC1 ZINC000818083556 586871674 /nfs/dbraw/zinc/87/16/74/586871674.db2.gz YMHDCJRHJVZGGK-JTQLQIEISA-N 1 2 244.335 1.725 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2conc2C)n1 ZINC000818220218 586879603 /nfs/dbraw/zinc/87/96/03/586879603.db2.gz DVVIKHJFSYBYLL-UHFFFAOYSA-N 1 2 235.291 1.193 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccc(F)nc2)n1 ZINC000818223041 586880067 /nfs/dbraw/zinc/88/00/67/586880067.db2.gz MYAJHRFHMSLOOH-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000818472253 586893807 /nfs/dbraw/zinc/89/38/07/586893807.db2.gz JPRWIQGHSXPUQW-UWVGGRQHSA-N 1 2 229.283 1.815 20 0 BDADLO CC(Cl)(Cl)C(=O)Nc1ccc(N)[nH+]c1 ZINC000818541177 586899018 /nfs/dbraw/zinc/89/90/18/586899018.db2.gz KRNQKSLAXSPWBY-UHFFFAOYSA-N 1 2 234.086 1.796 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCCO2)cc[nH+]1 ZINC000819274681 586946615 /nfs/dbraw/zinc/94/66/15/586946615.db2.gz JIXVCPVXNMKPQU-QMAVJUDZSA-N 1 2 232.283 1.486 20 0 BDADLO C[C@@H]([NH2+]Cc1ccno1)c1ccns1 ZINC000860052409 589077119 /nfs/dbraw/zinc/07/71/19/589077119.db2.gz ZERPCTFFRUAGNZ-SSDOTTSWSA-N 1 2 209.274 1.982 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccns1 ZINC000860058802 589077688 /nfs/dbraw/zinc/07/76/88/589077688.db2.gz ORCMTYQRIGMTFT-ZETCQYMHSA-N 1 2 249.343 1.989 20 0 BDADLO CC[C@H](NC(=O)/C=C/[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498384 586970447 /nfs/dbraw/zinc/97/04/47/586970447.db2.gz FOROEGXJHFZAEL-PZIAFJOJSA-N 1 2 249.314 1.712 20 0 BDADLO CC[C@H](NC(=O)C=C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498384 586970449 /nfs/dbraw/zinc/97/04/49/586970449.db2.gz FOROEGXJHFZAEL-PZIAFJOJSA-N 1 2 249.314 1.712 20 0 BDADLO CS[C@H](C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775502 586991732 /nfs/dbraw/zinc/99/17/32/586991732.db2.gz CVRJLXVGRPRLLO-RNFRBKRXSA-N 1 2 232.374 1.736 20 0 BDADLO CCC1(C)CN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000819969983 587009536 /nfs/dbraw/zinc/00/95/36/587009536.db2.gz SIVCXGOBDANLPP-WAYWQWQTSA-N 1 2 233.315 1.692 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000820085237 587020132 /nfs/dbraw/zinc/02/01/32/587020132.db2.gz RYQNHFAOQVSVSU-GHMZBOCLSA-N 1 2 228.336 1.314 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000820085237 587020133 /nfs/dbraw/zinc/02/01/33/587020133.db2.gz RYQNHFAOQVSVSU-GHMZBOCLSA-N 1 2 228.336 1.314 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1cn(C)cn1)c1[nH]cc[nH+]1 ZINC000820191378 587033554 /nfs/dbraw/zinc/03/35/54/587033554.db2.gz CXNFLNRSRBVFPO-CDAZIORVSA-N 1 2 245.286 1.034 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)no1 ZINC000820193113 587033675 /nfs/dbraw/zinc/03/36/75/587033675.db2.gz OAWSWAPRWNQOLO-JTQLQIEISA-N 1 2 237.303 1.660 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC000820193113 587033677 /nfs/dbraw/zinc/03/36/77/587033677.db2.gz OAWSWAPRWNQOLO-JTQLQIEISA-N 1 2 237.303 1.660 20 0 BDADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246669 587038585 /nfs/dbraw/zinc/03/85/85/587038585.db2.gz ZXSYYJWFHDGHFX-PWSUYJOCSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246669 587038587 /nfs/dbraw/zinc/03/85/87/587038587.db2.gz ZXSYYJWFHDGHFX-PWSUYJOCSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1Cc2ccccc2N1C(=O)Cc1[nH]cc[nH+]1 ZINC000820383380 587045375 /nfs/dbraw/zinc/04/53/75/587045375.db2.gz MVGZGVHLQNJZRZ-SNVBAGLBSA-N 1 2 241.294 1.930 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NOCCC2CC2)c1 ZINC000820484879 587051202 /nfs/dbraw/zinc/05/12/02/587051202.db2.gz PXAKTDQNXVOOJX-SNAWJCMRSA-N 1 2 235.287 1.281 20 0 BDADLO Cc1ccc(C2CC[NH+](CC(=O)[O-])CC2)c[nH+]1 ZINC000821076090 587094213 /nfs/dbraw/zinc/09/42/13/587094213.db2.gz RSGJAHCDWANVQH-UHFFFAOYSA-N 1 2 234.299 1.654 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CCOC2(C)C)c1 ZINC000821109877 587096790 /nfs/dbraw/zinc/09/67/90/587096790.db2.gz JYRTXMVBCXLBOS-ZWNMCFTASA-N 1 2 249.314 1.117 20 0 BDADLO CCc1onc(C)c1NC(=O)C[NH+]1CCCC1 ZINC000821371215 587113288 /nfs/dbraw/zinc/11/32/88/587113288.db2.gz CSKSYBURWSNZEN-UHFFFAOYSA-N 1 2 237.303 1.580 20 0 BDADLO CCC[C@H](CC)C(=O)Nc1cc[nH+]cc1O ZINC000821378297 587114408 /nfs/dbraw/zinc/11/44/08/587114408.db2.gz LJLRAVSINLBOSQ-VIFPVBQESA-N 1 2 222.288 1.974 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)c2ccc[nH]2)[nH+]1 ZINC000821383683 587115071 /nfs/dbraw/zinc/11/50/71/587115071.db2.gz GMBBPTVCIOHOJH-SECBINFHSA-N 1 2 246.314 1.720 20 0 BDADLO CC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)O ZINC000821555441 587127928 /nfs/dbraw/zinc/12/79/28/587127928.db2.gz AQARHYXNANZHNL-PSASIEDQSA-N 1 2 247.298 1.452 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607698 587132380 /nfs/dbraw/zinc/13/23/80/587132380.db2.gz AOSREIIJGMVYJB-ONGXEEELSA-N 1 2 234.299 1.847 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821787336 587138060 /nfs/dbraw/zinc/13/80/60/587138060.db2.gz SLJKXETYUSCXAG-ZYUZMQFOSA-N 1 2 235.287 1.040 20 0 BDADLO CCC[C@@H](CC)C(=O)NCCc1c[nH+]cn1C ZINC000821833174 587141743 /nfs/dbraw/zinc/14/17/43/587141743.db2.gz PUUPWMCYZIYYIW-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C=CCC2)cc[nH+]1 ZINC000822270633 587159853 /nfs/dbraw/zinc/15/98/53/587159853.db2.gz WJPVBTMGRNKNAV-JTQLQIEISA-N 1 2 217.272 1.652 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000822276170 587160529 /nfs/dbraw/zinc/16/05/29/587160529.db2.gz GHBANWPXYJMSIK-MWLCHTKSSA-N 1 2 235.331 1.819 20 0 BDADLO CO[C@H](C)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822320117 587162426 /nfs/dbraw/zinc/16/24/26/587162426.db2.gz XHVHBMKSZJUVAW-MRVPVSSYSA-N 1 2 240.303 1.785 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)/C=C/c2cn(C)c[nH+]2)O1 ZINC000822337425 587163194 /nfs/dbraw/zinc/16/31/94/587163194.db2.gz HHZBQGPNZWJEJQ-UIALCFJWSA-N 1 2 249.314 1.117 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2CC=CCC2)c1 ZINC000822364347 587164332 /nfs/dbraw/zinc/16/43/32/587164332.db2.gz GOOAOAPOFAQIQR-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000822523994 587173097 /nfs/dbraw/zinc/17/30/97/587173097.db2.gz STGFCOUQLIPUGM-UCQJPZFISA-N 1 2 240.347 1.180 20 0 BDADLO Clc1ccc(-n2cc[nH+]c2)nc1-c1nn[nH]n1 ZINC000822573983 587175802 /nfs/dbraw/zinc/17/58/02/587175802.db2.gz MHRFUWNZWZESJJ-UHFFFAOYSA-N 1 2 247.649 1.101 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822944115 587194920 /nfs/dbraw/zinc/19/49/20/587194920.db2.gz OQOWTYQBEKKRKA-PGJFENIBSA-N 1 2 247.342 1.936 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823056664 587199955 /nfs/dbraw/zinc/19/99/55/587199955.db2.gz DZUNFJIBLOSBAL-VXGBXAGGSA-N 1 2 234.299 1.350 20 0 BDADLO CC1=NO[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000823178727 587207167 /nfs/dbraw/zinc/20/71/67/587207167.db2.gz UYVKZPKLJUSJPZ-SNVBAGLBSA-N 1 2 248.286 1.251 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C12CC(C1)C2 ZINC000860270922 589090959 /nfs/dbraw/zinc/09/09/59/589090959.db2.gz GENFVHNWYVEVAW-UHFFFAOYSA-N 1 2 220.272 1.617 20 0 BDADLO C[C@H]1CCCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823657529 587235188 /nfs/dbraw/zinc/23/51/88/587235188.db2.gz FTHSZAUOOBDGGQ-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000823729351 587238256 /nfs/dbraw/zinc/23/82/56/587238256.db2.gz GGXXBPPEKMYEOV-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CSC(C)(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000824257257 587263637 /nfs/dbraw/zinc/26/36/37/587263637.db2.gz VJSDVGFBMVXUHG-UHFFFAOYSA-N 1 2 242.388 1.435 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000824276804 587264667 /nfs/dbraw/zinc/26/46/67/587264667.db2.gz MROIUSRTVVKEFW-NNYUYHANSA-N 1 2 243.347 1.730 20 0 BDADLO C[C@H](c1ccccn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000824316944 587265988 /nfs/dbraw/zinc/26/59/88/587265988.db2.gz RPJCKKAGLXCBIF-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)CC(F)(F)C1 ZINC000824360861 587267193 /nfs/dbraw/zinc/26/71/93/587267193.db2.gz IKFDXNLKRACYRR-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)CC(F)(F)C1 ZINC000824360861 587267194 /nfs/dbraw/zinc/26/71/94/587267194.db2.gz IKFDXNLKRACYRR-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO CCC[C@@H](CC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000824368813 587267651 /nfs/dbraw/zinc/26/76/51/587267651.db2.gz UZWUCFBXUWSYSP-SECBINFHSA-N 1 2 209.293 1.647 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH+]1CC2(CC2)C1 ZINC000824533511 587274362 /nfs/dbraw/zinc/27/43/62/587274362.db2.gz GPHWQFCRPIEVHC-UHFFFAOYSA-N 1 2 225.723 1.978 20 0 BDADLO Cc1cnn(C)c1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824741645 587285304 /nfs/dbraw/zinc/28/53/04/587285304.db2.gz ZHFQBVMDEMWKAU-PLNGDYQASA-N 1 2 245.286 1.114 20 0 BDADLO COCC1(N(C)C(=O)/C=C\c2cn(C)c[nH+]2)CC1 ZINC000824812353 587288497 /nfs/dbraw/zinc/28/84/97/587288497.db2.gz BVVJLOAPIKZBAP-PLNGDYQASA-N 1 2 249.314 1.071 20 0 BDADLO CCCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825290696 587313571 /nfs/dbraw/zinc/31/35/71/587313571.db2.gz FUENBFJLDNVVEY-UHFFFAOYSA-N 1 2 232.291 1.782 20 0 BDADLO C[C@@H](NC(=O)[C@]12C[C@H]1CCC2)c1[nH+]ccn1C ZINC000825544629 587324544 /nfs/dbraw/zinc/32/45/44/587324544.db2.gz KOGOVXVYJABTGM-GIPNMCIBSA-N 1 2 233.315 1.788 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)C=CCC1)c1[nH+]ccn1C ZINC000825545253 587324649 /nfs/dbraw/zinc/32/46/49/587324649.db2.gz SUKJGSUZUANJSL-MFKMUULPSA-N 1 2 233.315 1.954 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CSCCF ZINC000825665778 587330517 /nfs/dbraw/zinc/33/05/17/587330517.db2.gz DHOGABPAAXSDQH-BDAKNGLRSA-N 1 2 237.340 1.619 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)s1 ZINC000825843256 587341231 /nfs/dbraw/zinc/34/12/31/587341231.db2.gz SXLOMPMXRRISGG-UHFFFAOYSA-N 1 2 249.339 1.981 20 0 BDADLO CONC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000826657490 587357100 /nfs/dbraw/zinc/35/71/00/587357100.db2.gz SWTNTGRGFQYWHG-QMMMGPOBSA-N 1 2 243.694 1.111 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000826734275 587360495 /nfs/dbraw/zinc/36/04/95/587360495.db2.gz QHEGWOZGVDOFTA-GZTOBOFZSA-N 1 2 247.342 1.938 20 0 BDADLO CC(C(=O)NCc1[nH]c[nH+]c1C)=C1CCC1 ZINC000826753129 587361121 /nfs/dbraw/zinc/36/11/21/587361121.db2.gz MXTXFQMHIXGCRK-UHFFFAOYSA-N 1 2 219.288 1.835 20 0 BDADLO CCCC[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000826829400 587363382 /nfs/dbraw/zinc/36/33/82/587363382.db2.gz ATQMEYGOCWZKRA-LLVKDONJSA-N 1 2 243.351 1.060 20 0 BDADLO CCCC[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)[O-])C1 ZINC000826829400 587363383 /nfs/dbraw/zinc/36/33/83/587363383.db2.gz ATQMEYGOCWZKRA-LLVKDONJSA-N 1 2 243.351 1.060 20 0 BDADLO COCC[N@H+](CCF)Cc1ccncc1C ZINC000827048343 587368752 /nfs/dbraw/zinc/36/87/52/587368752.db2.gz OBMZKFONPRXOHV-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccncc1C ZINC000827048343 587368753 /nfs/dbraw/zinc/36/87/53/587368753.db2.gz OBMZKFONPRXOHV-UHFFFAOYSA-N 1 2 226.295 1.808 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]Cc2csnn2)c2ccccc21 ZINC000827178321 587372132 /nfs/dbraw/zinc/37/21/32/587372132.db2.gz HRYMBYZMXIARGX-NWDGAFQWSA-N 1 2 247.323 1.806 20 0 BDADLO CCC(F)(F)C(=O)Nc1cc[nH+]c(C)c1 ZINC000827389841 587379261 /nfs/dbraw/zinc/37/92/61/587379261.db2.gz RSIBELJMUJCLMI-UHFFFAOYSA-N 1 2 214.215 1.796 20 0 BDADLO C[C@@H]1CCCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000827793393 587402429 /nfs/dbraw/zinc/40/24/29/587402429.db2.gz OKJFHCOAIZDXDW-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@@H]1C ZINC000827945616 587411725 /nfs/dbraw/zinc/41/17/25/587411725.db2.gz XRJJXTNGBKCARP-BQBZGAKWSA-N 1 2 241.726 1.653 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@@H]1C ZINC000827945616 587411726 /nfs/dbraw/zinc/41/17/26/587411726.db2.gz XRJJXTNGBKCARP-BQBZGAKWSA-N 1 2 241.726 1.653 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)/C=C\c2cn(C)c[nH+]2)[C@@H](C)O1 ZINC000828056542 587418203 /nfs/dbraw/zinc/41/82/03/587418203.db2.gz MXYXYOJTNNCSLG-MOHCPZHJSA-N 1 2 249.314 1.115 20 0 BDADLO CCCC[C@@H](COC)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828219921 587425074 /nfs/dbraw/zinc/42/50/74/587425074.db2.gz PSDNEBCQJLZNKB-JTQLQIEISA-N 1 2 239.319 1.274 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC=CCC1 ZINC000828223910 587425432 /nfs/dbraw/zinc/42/54/32/587425432.db2.gz AMVQMZVUQHPPIQ-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO COc1cc(C)nc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000828358478 587437961 /nfs/dbraw/zinc/43/79/61/587437961.db2.gz QYJWGDZPDGKMGV-VIFPVBQESA-N 1 2 245.286 1.547 20 0 BDADLO c1cn2c([nH+]1)[C@H](Nc1ncnc3c1CCC3)CC2 ZINC000828357666 587438140 /nfs/dbraw/zinc/43/81/40/587438140.db2.gz LUFTZHRADVCGAJ-LLVKDONJSA-N 1 2 241.298 1.719 20 0 BDADLO Cc1nocc1C(=O)OCCn1cc[nH+]c1 ZINC000860432601 589099797 /nfs/dbraw/zinc/09/97/97/589099797.db2.gz UBQAMXFEDCYLIJ-UHFFFAOYSA-N 1 2 221.216 1.037 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000828462070 587443756 /nfs/dbraw/zinc/44/37/56/587443756.db2.gz JVSVQWCNWDKGAQ-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000828462070 587443757 /nfs/dbraw/zinc/44/37/57/587443757.db2.gz JVSVQWCNWDKGAQ-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO C[S@](=O)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000828519661 587447277 /nfs/dbraw/zinc/44/72/77/587447277.db2.gz HWQMMBDAYWVFDU-BZNIZROVSA-N 1 2 241.360 1.315 20 0 BDADLO C[S@](=O)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000828519661 587447279 /nfs/dbraw/zinc/44/72/79/587447279.db2.gz HWQMMBDAYWVFDU-BZNIZROVSA-N 1 2 241.360 1.315 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000828627278 587455173 /nfs/dbraw/zinc/45/51/73/587455173.db2.gz STTBLFBGIRMRQC-WCQYABFASA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000828627278 587455174 /nfs/dbraw/zinc/45/51/74/587455174.db2.gz STTBLFBGIRMRQC-WCQYABFASA-N 1 2 243.347 1.073 20 0 BDADLO CC1(C)CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000828699170 587457915 /nfs/dbraw/zinc/45/79/15/587457915.db2.gz UNHHMXRFASGVBP-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCc1nocc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000860435232 589100478 /nfs/dbraw/zinc/10/04/78/589100478.db2.gz VIXNEHJRSFKXRG-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C12CCC2)C1(F)CC1 ZINC000829062319 587481363 /nfs/dbraw/zinc/48/13/63/587481363.db2.gz ZMVWQHLEZDZOJY-UHFFFAOYSA-N 1 2 249.289 1.676 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC(F)CC2)c1 ZINC000829206409 587488654 /nfs/dbraw/zinc/48/86/54/587488654.db2.gz XOQQEDKAMKLWJX-NSCUHMNNSA-N 1 2 237.278 1.394 20 0 BDADLO CC/C(C)=C\C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829398389 587495749 /nfs/dbraw/zinc/49/57/49/587495749.db2.gz CFRLIHZPDQMJRV-YFHOEESVSA-N 1 2 248.330 1.623 20 0 BDADLO CC/C(C)=C\C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829398389 587495750 /nfs/dbraw/zinc/49/57/50/587495750.db2.gz CFRLIHZPDQMJRV-YFHOEESVSA-N 1 2 248.330 1.623 20 0 BDADLO CC[S@](C)(=O)=NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829868048 587525855 /nfs/dbraw/zinc/52/58/55/587525855.db2.gz ZXBBFJWKRJFITP-KJPDOMRESA-N 1 2 241.316 1.078 20 0 BDADLO CC[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830045194 587533884 /nfs/dbraw/zinc/53/38/84/587533884.db2.gz QNWAPHFQYYADNE-GFCCVEGCSA-N 1 2 221.304 1.601 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C2CC2)CC1 ZINC000830179346 587539965 /nfs/dbraw/zinc/53/99/65/587539965.db2.gz BKJFDNKDALLEHX-UHFFFAOYSA-N 1 2 205.261 1.011 20 0 BDADLO C[C@]1(F)CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000830212210 587541361 /nfs/dbraw/zinc/54/13/61/587541361.db2.gz LYYUCNYCLBTGFA-WPRPVWTQSA-N 1 2 201.241 1.126 20 0 BDADLO C[C@]1(F)CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000830212210 587541362 /nfs/dbraw/zinc/54/13/62/587541362.db2.gz LYYUCNYCLBTGFA-WPRPVWTQSA-N 1 2 201.241 1.126 20 0 BDADLO CC(C)[N@H+](Cc1cnc(Cl)cn1)C1COC1 ZINC000830221639 587542186 /nfs/dbraw/zinc/54/21/86/587542186.db2.gz UNQBZSOXWNNXEC-UHFFFAOYSA-N 1 2 241.722 1.739 20 0 BDADLO CC(C)[N@@H+](Cc1cnc(Cl)cn1)C1COC1 ZINC000830221639 587542188 /nfs/dbraw/zinc/54/21/88/587542188.db2.gz UNQBZSOXWNNXEC-UHFFFAOYSA-N 1 2 241.722 1.739 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000830808022 587571402 /nfs/dbraw/zinc/57/14/02/587571402.db2.gz AMZHIJZUJKSWJA-GMTAPVOTSA-N 1 2 228.336 1.468 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CCC(=O)C2)cc[nH+]1 ZINC000830891327 587575277 /nfs/dbraw/zinc/57/52/77/587575277.db2.gz DMIWGQIWPUFZSG-SECBINFHSA-N 1 2 234.255 1.076 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c[nH+]1 ZINC000831183013 587590008 /nfs/dbraw/zinc/59/00/08/587590008.db2.gz SCYJOLDECKHTFQ-AXFHLTTASA-N 1 2 247.298 1.039 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000831354466 587600562 /nfs/dbraw/zinc/60/05/62/587600562.db2.gz SUIYATITZKVVKK-NKWVEPMBSA-N 1 2 247.220 1.267 20 0 BDADLO CC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000831740381 587629663 /nfs/dbraw/zinc/62/96/63/587629663.db2.gz WGPDQBJUPYZABV-LLVKDONJSA-N 1 2 248.330 1.769 20 0 BDADLO CC(C)NC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000867075794 587646107 /nfs/dbraw/zinc/64/61/07/587646107.db2.gz NIJNRDBCLAZFIF-SECBINFHSA-N 1 2 222.292 1.665 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000832165339 587647282 /nfs/dbraw/zinc/64/72/82/587647282.db2.gz SWQCWFJGXLXODK-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000832181487 587648409 /nfs/dbraw/zinc/64/84/09/587648409.db2.gz QXQUVINNFOVZRF-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@H](CC(F)(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832198926 587649614 /nfs/dbraw/zinc/64/96/14/587649614.db2.gz ZVHAAKSYGZVGLE-SSDOTTSWSA-N 1 2 249.236 1.799 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832266314 587652770 /nfs/dbraw/zinc/65/27/70/587652770.db2.gz RHZKSZABBFBOBY-ZCFIWIBFSA-N 1 2 235.209 1.409 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000832653778 587673763 /nfs/dbraw/zinc/67/37/63/587673763.db2.gz CIXSSRTWNOFARL-OUAUKWLOSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000832653778 587673765 /nfs/dbraw/zinc/67/37/65/587673765.db2.gz CIXSSRTWNOFARL-OUAUKWLOSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000833300241 587705173 /nfs/dbraw/zinc/70/51/73/587705173.db2.gz OLBRLEUFOYHYQS-GXSJLCMTSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC[C@H]1C=CCC1 ZINC000834320941 587751835 /nfs/dbraw/zinc/75/18/35/587751835.db2.gz CICDAJIDDBFOPS-LBPRGKRZSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000834440474 587755354 /nfs/dbraw/zinc/75/53/54/587755354.db2.gz QFSDAPHPVFEZSX-MRVPVSSYSA-N 1 2 245.286 1.185 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000834440474 587755355 /nfs/dbraw/zinc/75/53/55/587755355.db2.gz QFSDAPHPVFEZSX-MRVPVSSYSA-N 1 2 245.286 1.185 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000835194115 587788269 /nfs/dbraw/zinc/78/82/69/587788269.db2.gz IUFVBULVFVRMPL-JBLDHEPKSA-N 1 2 234.299 1.900 20 0 BDADLO CC/C(C)=C/C(=O)OCCn1cc[nH+]c1 ZINC000835349290 587797749 /nfs/dbraw/zinc/79/77/49/587797749.db2.gz FKMFDLDJAYSDJG-CSKARUKUSA-N 1 2 208.261 1.783 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836284081 587830149 /nfs/dbraw/zinc/83/01/49/587830149.db2.gz GGCPEHQVLNUFAO-MXWKQRLJSA-N 1 2 248.330 1.816 20 0 BDADLO CC/C=C\CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836522704 587834430 /nfs/dbraw/zinc/83/44/30/587834430.db2.gz JXJBYBAQQZXQNO-UMBAGQNISA-N 1 2 234.303 1.593 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)F ZINC000836950630 587843829 /nfs/dbraw/zinc/84/38/29/587843829.db2.gz SLMYPRJOXSKGOM-QMMMGPOBSA-N 1 2 227.283 1.828 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCCS1 ZINC000837555690 587881940 /nfs/dbraw/zinc/88/19/40/587881940.db2.gz NQGUGEUGNXYNMT-SNVBAGLBSA-N 1 2 240.328 1.401 20 0 BDADLO Nc1cc(COC(=O)CSC2CC2)cc[nH+]1 ZINC000837874266 587901815 /nfs/dbraw/zinc/90/18/15/587901815.db2.gz SGJMUYVKRPZPAW-UHFFFAOYSA-N 1 2 238.312 1.603 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000842019223 587989395 /nfs/dbraw/zinc/98/93/95/587989395.db2.gz JGRYITARGOJDLM-MRVPVSSYSA-N 1 2 242.706 1.957 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@H](CC(C)C)OC ZINC000842164663 588005293 /nfs/dbraw/zinc/00/52/93/588005293.db2.gz YIVAYGFCLGBXAL-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCC[C@H]1CCOC1 ZINC000842649431 588049033 /nfs/dbraw/zinc/04/90/33/588049033.db2.gz LTARJVOFEJZOMJ-UWVGGRQHSA-N 1 2 230.308 1.336 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC1CCCC1 ZINC000842687019 588052518 /nfs/dbraw/zinc/05/25/18/588052518.db2.gz NOBKCKKRJWNSHB-OUAUKWLOSA-N 1 2 241.331 1.628 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)c2cnn(C)c2)n1 ZINC000843144435 588086224 /nfs/dbraw/zinc/08/62/24/588086224.db2.gz CFRNVZDBNSQCIM-QMMMGPOBSA-N 1 2 235.291 1.064 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000843404245 588106206 /nfs/dbraw/zinc/10/62/06/588106206.db2.gz FTHZFZDMMVLZBV-OUAUKWLOSA-N 1 2 229.320 1.341 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000843404238 588106334 /nfs/dbraw/zinc/10/63/34/588106334.db2.gz FTHZFZDMMVLZBV-DCAQKATOSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C2(F)CC2)c2[nH+]ccn21 ZINC000843601315 588128584 /nfs/dbraw/zinc/12/85/84/588128584.db2.gz GWQZJFFBGGJBLK-SFYZADRCSA-N 1 2 223.251 1.507 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc3n(n1)CCCC3)C2 ZINC000844321740 588184288 /nfs/dbraw/zinc/18/42/88/588184288.db2.gz YXQAWVCFYVICLG-RISCZKNCSA-N 1 2 247.342 1.034 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cc3n(n1)CCCC3)C2 ZINC000844321740 588184290 /nfs/dbraw/zinc/18/42/90/588184290.db2.gz YXQAWVCFYVICLG-RISCZKNCSA-N 1 2 247.342 1.034 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nonc1C ZINC000844388400 588188596 /nfs/dbraw/zinc/18/85/96/588188596.db2.gz YLGHAQJDWWUKLO-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nonc1C ZINC000844388400 588188598 /nfs/dbraw/zinc/18/85/98/588188598.db2.gz YLGHAQJDWWUKLO-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000844438736 588193888 /nfs/dbraw/zinc/19/38/88/588193888.db2.gz OXEMALMKJOYYPO-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000844438736 588193890 /nfs/dbraw/zinc/19/38/90/588193890.db2.gz OXEMALMKJOYYPO-SNVBAGLBSA-N 1 2 243.257 1.999 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439244 588193955 /nfs/dbraw/zinc/19/39/55/588193955.db2.gz QCOJZVXLHHJDPO-SECBINFHSA-N 1 2 219.231 1.281 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439244 588193956 /nfs/dbraw/zinc/19/39/56/588193956.db2.gz QCOJZVXLHHJDPO-SECBINFHSA-N 1 2 219.231 1.281 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000844460205 588196830 /nfs/dbraw/zinc/19/68/30/588196830.db2.gz DKNIQWJKDJQIBK-DTORHVGOSA-N 1 2 241.241 1.182 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC000844460205 588196831 /nfs/dbraw/zinc/19/68/31/588196831.db2.gz DKNIQWJKDJQIBK-DTORHVGOSA-N 1 2 241.241 1.182 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC000844463353 588197190 /nfs/dbraw/zinc/19/71/90/588197190.db2.gz QKKZFGYADVVCLH-KNVOCYPGSA-N 1 2 217.244 1.235 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC000844463353 588197191 /nfs/dbraw/zinc/19/71/91/588197191.db2.gz QKKZFGYADVVCLH-KNVOCYPGSA-N 1 2 217.244 1.235 20 0 BDADLO O=C(C[C@H]1CCCO1)N[C@H]1CCn2cc[nH+]c21 ZINC000844552009 588202094 /nfs/dbraw/zinc/20/20/94/588202094.db2.gz IUFNTQXMXFVORY-ZJUUUORDSA-N 1 2 235.287 1.013 20 0 BDADLO COCC[N@H+](C)CN1C(=O)CC12CCCC2 ZINC000844686356 588213832 /nfs/dbraw/zinc/21/38/32/588213832.db2.gz NLBILRVXVPUJEB-UHFFFAOYSA-N 1 2 226.320 1.067 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844686356 588213833 /nfs/dbraw/zinc/21/38/33/588213833.db2.gz NLBILRVXVPUJEB-UHFFFAOYSA-N 1 2 226.320 1.067 20 0 BDADLO C[C@H]1COCC[N@@H+]1CN1C(=O)CC12CCCC2 ZINC000844687019 588213846 /nfs/dbraw/zinc/21/38/46/588213846.db2.gz XATLPIIYNIWAIT-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[C@H]1COCC[N@H+]1CN1C(=O)CC12CCCC2 ZINC000844687019 588213847 /nfs/dbraw/zinc/21/38/47/588213847.db2.gz XATLPIIYNIWAIT-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1CN1CCCC1=O ZINC000844723873 588215217 /nfs/dbraw/zinc/21/52/17/588215217.db2.gz ZICUQRMUCYIEBP-NSHDSACASA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1CN1CCCC1=O ZINC000844723873 588215219 /nfs/dbraw/zinc/21/52/19/588215219.db2.gz ZICUQRMUCYIEBP-NSHDSACASA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H](CO)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845286509 588225952 /nfs/dbraw/zinc/22/59/52/588225952.db2.gz XBEDNUTVRVUQQP-UWVGGRQHSA-N 1 2 226.276 1.006 20 0 BDADLO CCC[C@H](C)S(=O)(=O)NCc1[nH+]ccn1C ZINC000845912602 588250154 /nfs/dbraw/zinc/25/01/54/588250154.db2.gz PTCAIBQWJJIQSV-VIFPVBQESA-N 1 2 245.348 1.028 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)nn2C)[C@@H](C)CO1 ZINC000846044221 588254618 /nfs/dbraw/zinc/25/46/18/588254618.db2.gz GFFHCGLNGZEPNT-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)[C@@H](C)CO1 ZINC000846044221 588254619 /nfs/dbraw/zinc/25/46/19/588254619.db2.gz GFFHCGLNGZEPNT-WCQYABFASA-N 1 2 237.347 1.728 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000846086267 588255877 /nfs/dbraw/zinc/25/58/77/588255877.db2.gz NHLGOPRHSZYSJW-JQWIXIFHSA-N 1 2 240.347 1.636 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000846086266 588255890 /nfs/dbraw/zinc/25/58/90/588255890.db2.gz NHLGOPRHSZYSJW-CMPLNLGQSA-N 1 2 240.347 1.636 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000846086269 588256016 /nfs/dbraw/zinc/25/60/16/588256016.db2.gz NHLGOPRHSZYSJW-ZYHUDNBSSA-N 1 2 240.347 1.636 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000846087936 588256033 /nfs/dbraw/zinc/25/60/33/588256033.db2.gz VOEGTCRRUXHKFG-VXGBXAGGSA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000846090986 588256470 /nfs/dbraw/zinc/25/64/70/588256470.db2.gz HFXYGFDVIWSOFT-UHFFFAOYSA-N 1 2 248.326 1.590 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)CCO)c1 ZINC000846213211 588259652 /nfs/dbraw/zinc/25/96/52/588259652.db2.gz PYSXHPOAQSBCHO-VIFPVBQESA-N 1 2 210.277 1.411 20 0 BDADLO OC[C@@H](CCF)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000846208666 588260062 /nfs/dbraw/zinc/26/00/62/588260062.db2.gz KNLLDNARDLSANA-PSASIEDQSA-N 1 2 227.283 1.097 20 0 BDADLO CC(C)(C)[C@H](O)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244602 588262363 /nfs/dbraw/zinc/26/23/63/588262363.db2.gz LGAQAQKKFKPOSL-MRVPVSSYSA-N 1 2 239.319 1.168 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846798688 588289028 /nfs/dbraw/zinc/28/90/28/588289028.db2.gz LOAUAPDYZIHAHV-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846798688 588289029 /nfs/dbraw/zinc/28/90/29/588289029.db2.gz LOAUAPDYZIHAHV-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846810267 588290519 /nfs/dbraw/zinc/29/05/19/588290519.db2.gz ASOYWUOINPNZCY-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846810267 588290520 /nfs/dbraw/zinc/29/05/20/588290520.db2.gz ASOYWUOINPNZCY-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO CCOC[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846812737 588290781 /nfs/dbraw/zinc/29/07/81/588290781.db2.gz WHQHPRLGNOFHNP-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CCOC[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846812737 588290782 /nfs/dbraw/zinc/29/07/82/588290782.db2.gz WHQHPRLGNOFHNP-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2cnsn2)cn1 ZINC000846855531 588293294 /nfs/dbraw/zinc/29/32/94/588293294.db2.gz XZYGWCFATTXQIA-UHFFFAOYSA-N 1 2 237.332 1.297 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnsn2)CC[C@@H]1C ZINC000846870990 588294596 /nfs/dbraw/zinc/29/45/96/588294596.db2.gz QWEHCZNQOWHODM-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnsn2)CC[C@@H]1C ZINC000846870990 588294597 /nfs/dbraw/zinc/29/45/97/588294597.db2.gz QWEHCZNQOWHODM-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CC3)cc2nonc12 ZINC000846893091 588296021 /nfs/dbraw/zinc/29/60/21/588296021.db2.gz GVBVGMGJJDGMPY-UHFFFAOYSA-N 1 2 245.282 1.588 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CC3)cc2nonc12 ZINC000846893091 588296022 /nfs/dbraw/zinc/29/60/22/588296022.db2.gz GVBVGMGJJDGMPY-UHFFFAOYSA-N 1 2 245.282 1.588 20 0 BDADLO CC(C)[N@H+](Cc1cnsn1)[C@H]1CCOC1 ZINC000846914766 588296603 /nfs/dbraw/zinc/29/66/03/588296603.db2.gz NFCROTOYRATGJA-JTQLQIEISA-N 1 2 227.333 1.537 20 0 BDADLO CC(C)[N@@H+](Cc1cnsn1)[C@H]1CCOC1 ZINC000846914766 588296604 /nfs/dbraw/zinc/29/66/04/588296604.db2.gz NFCROTOYRATGJA-JTQLQIEISA-N 1 2 227.333 1.537 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000846960120 588298588 /nfs/dbraw/zinc/29/85/88/588298588.db2.gz MHFAOAQVYRAYSJ-AEJSXWLSSA-N 1 2 229.320 1.077 20 0 BDADLO COc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)o1 ZINC000847061794 588305425 /nfs/dbraw/zinc/30/54/25/588305425.db2.gz LNHUMJBLEZPLKZ-MRVPVSSYSA-N 1 2 247.254 1.360 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCC(=O)OC ZINC000847064508 588305637 /nfs/dbraw/zinc/30/56/37/588305637.db2.gz QLRPKEPUTSQXFE-UHFFFAOYSA-N 1 2 245.319 1.261 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847162715 588308216 /nfs/dbraw/zinc/30/82/16/588308216.db2.gz NGWBNJPOGMKLQN-VHSXEESVSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847518956 588315302 /nfs/dbraw/zinc/31/53/02/588315302.db2.gz XFIGEQMXDCYGDY-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847518956 588315303 /nfs/dbraw/zinc/31/53/03/588315303.db2.gz XFIGEQMXDCYGDY-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@H]2CCC=CO2)C1 ZINC000847844337 588336688 /nfs/dbraw/zinc/33/66/88/588336688.db2.gz VSLSCQGICWDPIV-LLVKDONJSA-N 1 2 238.331 1.137 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2C[C@H]21 ZINC000848063437 588352905 /nfs/dbraw/zinc/35/29/05/588352905.db2.gz OCTOAORUUXAXLC-JFGNBEQYSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2C[C@H]21 ZINC000848063437 588352907 /nfs/dbraw/zinc/35/29/07/588352907.db2.gz OCTOAORUUXAXLC-JFGNBEQYSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOC1CCC1 ZINC000848163369 588363054 /nfs/dbraw/zinc/36/30/54/588363054.db2.gz ZPGVRIKPVJVJBN-MRVPVSSYSA-N 1 2 223.276 1.189 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOC1CCC1 ZINC000848163369 588363056 /nfs/dbraw/zinc/36/30/56/588363056.db2.gz ZPGVRIKPVJVJBN-MRVPVSSYSA-N 1 2 223.276 1.189 20 0 BDADLO CCON(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000848238534 588366797 /nfs/dbraw/zinc/36/67/97/588366797.db2.gz QINVTOOCWFOHIF-SNVBAGLBSA-N 1 2 239.319 1.777 20 0 BDADLO CCON(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000848238534 588366799 /nfs/dbraw/zinc/36/67/99/588366799.db2.gz QINVTOOCWFOHIF-SNVBAGLBSA-N 1 2 239.319 1.777 20 0 BDADLO Cn1c(Cl)ncc1C[NH2+]Cc1cc[nH]n1 ZINC000848536382 588393719 /nfs/dbraw/zinc/39/37/19/588393719.db2.gz QXVKYXJPVOKHLE-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO COc1c(C)ncnc1NCc1c[nH+]cn1C ZINC000848706317 588406715 /nfs/dbraw/zinc/40/67/15/588406715.db2.gz KVUYOYQUPXVYSW-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BDADLO Cc1nc(COC(=O)[C@H]2CCCC[N@@H+]2C)co1 ZINC000848722886 588409131 /nfs/dbraw/zinc/40/91/31/588409131.db2.gz YRKDPRJHMBCONU-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1nc(COC(=O)[C@H]2CCCC[N@H+]2C)co1 ZINC000848722886 588409129 /nfs/dbraw/zinc/40/91/29/588409129.db2.gz YRKDPRJHMBCONU-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@H+]2C)co1 ZINC000848722887 588409152 /nfs/dbraw/zinc/40/91/52/588409152.db2.gz YRKDPRJHMBCONU-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO Cc1nc(COC(=O)[C@@H]2CCCC[N@@H+]2C)co1 ZINC000848722887 588409154 /nfs/dbraw/zinc/40/91/54/588409154.db2.gz YRKDPRJHMBCONU-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000848882676 588416171 /nfs/dbraw/zinc/41/61/71/588416171.db2.gz XZKXZGNYNAFIEE-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000848882676 588416173 /nfs/dbraw/zinc/41/61/73/588416173.db2.gz XZKXZGNYNAFIEE-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CCCCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000849139159 588454311 /nfs/dbraw/zinc/45/43/11/588454311.db2.gz CSUAEKBTNLEYKR-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO CCCCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000849139159 588454313 /nfs/dbraw/zinc/45/43/13/588454313.db2.gz CSUAEKBTNLEYKR-UHFFFAOYSA-N 1 2 240.351 1.283 20 0 BDADLO S=C(NCC1CC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000849264452 588467360 /nfs/dbraw/zinc/46/73/60/588467360.db2.gz MXKKVXWDMVHDBX-SECBINFHSA-N 1 2 236.344 1.202 20 0 BDADLO CN(C(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCCC1 ZINC000849394952 588476756 /nfs/dbraw/zinc/47/67/56/588476756.db2.gz KFVYMJUPPQHYON-LLVKDONJSA-N 1 2 248.330 1.912 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000849859198 588505670 /nfs/dbraw/zinc/50/56/70/588505670.db2.gz OWMSAEONDPBLOO-RTXFEEFZSA-N 1 2 248.326 1.942 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)OCCn1cc[nH+]c1 ZINC000850061840 588516602 /nfs/dbraw/zinc/51/66/02/588516602.db2.gz LGLKXTMSYICPKT-LLVKDONJSA-N 1 2 248.282 1.898 20 0 BDADLO O=C(CCCF)OCCn1cc[nH+]c1 ZINC000850195206 588525330 /nfs/dbraw/zinc/52/53/30/588525330.db2.gz PUVKNKZMOOHNFO-UHFFFAOYSA-N 1 2 200.213 1.176 20 0 BDADLO CCn1cnc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000850184187 588525337 /nfs/dbraw/zinc/52/53/37/588525337.db2.gz MKPUNTXCHVIOIJ-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000850372321 588541563 /nfs/dbraw/zinc/54/15/63/588541563.db2.gz SSTBGJQCJXYPJH-RYUDHWBXSA-N 1 2 229.283 1.678 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]Cc2cocn2)c2ccccc21 ZINC000850374173 588541751 /nfs/dbraw/zinc/54/17/51/588541751.db2.gz KPHXZEXJWLVISR-OLZOCXBDSA-N 1 2 230.267 1.943 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000850420658 588545521 /nfs/dbraw/zinc/54/55/21/588545521.db2.gz QJYIBTSOWQEUOE-MFKMUULPSA-N 1 2 246.314 1.027 20 0 BDADLO CO[C@H](C(=O)OCc1c[nH+]cn1C)C1CCC1 ZINC000850868881 588571751 /nfs/dbraw/zinc/57/17/51/588571751.db2.gz KAKRSISZDBXLNB-NSHDSACASA-N 1 2 238.287 1.278 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850998802 588582883 /nfs/dbraw/zinc/58/28/83/588582883.db2.gz UVXONSNRAOKHDB-NOOOWODRSA-N 1 2 241.306 1.620 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850998802 588582884 /nfs/dbraw/zinc/58/28/84/588582884.db2.gz UVXONSNRAOKHDB-NOOOWODRSA-N 1 2 241.306 1.620 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cccc(F)n1 ZINC000851715837 588616075 /nfs/dbraw/zinc/61/60/75/588616075.db2.gz CDGTUGHSBPSGGO-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cccc(F)n1 ZINC000851715837 588616076 /nfs/dbraw/zinc/61/60/76/588616076.db2.gz CDGTUGHSBPSGGO-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnon2)cc1 ZINC000851720401 588617234 /nfs/dbraw/zinc/61/72/34/588617234.db2.gz INNAXNFMATYTCP-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnon2)cc1 ZINC000851720401 588617235 /nfs/dbraw/zinc/61/72/35/588617235.db2.gz INNAXNFMATYTCP-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cnon1 ZINC000851862288 588636174 /nfs/dbraw/zinc/63/61/74/588636174.db2.gz XDBUBLREWCZULG-LLVKDONJSA-N 1 2 247.302 1.313 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cnon1 ZINC000851862288 588636175 /nfs/dbraw/zinc/63/61/75/588636175.db2.gz XDBUBLREWCZULG-LLVKDONJSA-N 1 2 247.302 1.313 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000851872134 588637776 /nfs/dbraw/zinc/63/77/76/588637776.db2.gz ZOXGDESFTRYHJA-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000851872134 588637777 /nfs/dbraw/zinc/63/77/77/588637777.db2.gz ZOXGDESFTRYHJA-GFCCVEGCSA-N 1 2 230.271 1.802 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H]1COC(C)(C)O1)C(=O)OC ZINC000851885968 588639928 /nfs/dbraw/zinc/63/99/28/588639928.db2.gz NRCILFVPANTAAK-BXKDBHETSA-N 1 2 245.319 1.069 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000851888027 588640454 /nfs/dbraw/zinc/64/04/54/588640454.db2.gz ZSUBPDAJNSBFMA-MRVPVSSYSA-N 1 2 231.246 1.786 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000851888027 588640455 /nfs/dbraw/zinc/64/04/55/588640455.db2.gz ZSUBPDAJNSBFMA-MRVPVSSYSA-N 1 2 231.246 1.786 20 0 BDADLO O[C@H](C[N@@H+]1CCC=C(F)C1)c1ccccn1 ZINC000851889925 588641184 /nfs/dbraw/zinc/64/11/84/588641184.db2.gz HGLODCPXZFFQQW-GFCCVEGCSA-N 1 2 222.263 1.674 20 0 BDADLO O[C@H](C[N@H+]1CCC=C(F)C1)c1ccccn1 ZINC000851889925 588641185 /nfs/dbraw/zinc/64/11/85/588641185.db2.gz HGLODCPXZFFQQW-GFCCVEGCSA-N 1 2 222.263 1.674 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851892991 588641292 /nfs/dbraw/zinc/64/12/92/588641292.db2.gz SOJJVLILZCBZFL-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO Fc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000851952758 588647304 /nfs/dbraw/zinc/64/73/04/588647304.db2.gz PWJJDTRMGYEUKW-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cccc(C[N@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000851952758 588647305 /nfs/dbraw/zinc/64/73/05/588647305.db2.gz PWJJDTRMGYEUKW-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000852015500 588655179 /nfs/dbraw/zinc/65/51/79/588655179.db2.gz LSIRYIBUCNEBHV-DTWKUNHWSA-N 1 2 233.258 1.812 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000852015500 588655180 /nfs/dbraw/zinc/65/51/80/588655180.db2.gz LSIRYIBUCNEBHV-DTWKUNHWSA-N 1 2 233.258 1.812 20 0 BDADLO CCOC(C[N@H+](CC)Cc1cnon1)OCC ZINC000852143354 588666656 /nfs/dbraw/zinc/66/66/56/588666656.db2.gz BAYANYRXBYVJSA-UHFFFAOYSA-N 1 2 243.307 1.291 20 0 BDADLO CCOC(C[N@@H+](CC)Cc1cnon1)OCC ZINC000852143354 588666657 /nfs/dbraw/zinc/66/66/57/588666657.db2.gz BAYANYRXBYVJSA-UHFFFAOYSA-N 1 2 243.307 1.291 20 0 BDADLO COC(=O)C1([N@H+](CCF)C2CC2)CCC1 ZINC000852176772 588669581 /nfs/dbraw/zinc/66/95/81/588669581.db2.gz HSGNFPYNKAQLHW-UHFFFAOYSA-N 1 2 215.268 1.516 20 0 BDADLO COC(=O)C1([N@@H+](CCF)C2CC2)CCC1 ZINC000852176772 588669582 /nfs/dbraw/zinc/66/95/82/588669582.db2.gz HSGNFPYNKAQLHW-UHFFFAOYSA-N 1 2 215.268 1.516 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000852265939 588675220 /nfs/dbraw/zinc/67/52/20/588675220.db2.gz GYKJFTPWYBNEAI-MNOVXSKESA-N 1 2 246.314 1.216 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000852345965 588679147 /nfs/dbraw/zinc/67/91/47/588679147.db2.gz QPEDLUWNKDCYDJ-NXEZZACHSA-N 1 2 246.314 1.285 20 0 BDADLO O=C(N[C@@H]1C=CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000852345965 588679148 /nfs/dbraw/zinc/67/91/48/588679148.db2.gz QPEDLUWNKDCYDJ-NXEZZACHSA-N 1 2 246.314 1.285 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H]1C=CCC1 ZINC000852354607 588679602 /nfs/dbraw/zinc/67/96/02/588679602.db2.gz QOJFTJWRADWMFY-LLVKDONJSA-N 1 2 247.298 1.608 20 0 BDADLO CC[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000852363703 588680001 /nfs/dbraw/zinc/68/00/01/588680001.db2.gz SYYGHFKAFXFVKK-QWRGUYRKSA-N 1 2 248.330 1.816 20 0 BDADLO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1cscn1 ZINC000852417908 588681620 /nfs/dbraw/zinc/68/16/20/588681620.db2.gz PBAGOFYOMQUCLQ-SGDMMICCSA-N 1 2 240.328 1.913 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2C/C=C\Cl ZINC000852440715 588682527 /nfs/dbraw/zinc/68/25/27/588682527.db2.gz DQASFQDMCBFAKV-IHWYPQMZSA-N 1 2 215.680 1.376 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2C/C=C\Cl ZINC000852440715 588682528 /nfs/dbraw/zinc/68/25/28/588682528.db2.gz DQASFQDMCBFAKV-IHWYPQMZSA-N 1 2 215.680 1.376 20 0 BDADLO COCC[N@H+](CCF)Cc1cc(C)nn1C ZINC000852479244 588683072 /nfs/dbraw/zinc/68/30/72/588683072.db2.gz FBKLUSVWYDYMHQ-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO COCC[N@@H+](CCF)Cc1cc(C)nn1C ZINC000852479244 588683073 /nfs/dbraw/zinc/68/30/73/588683073.db2.gz FBKLUSVWYDYMHQ-UHFFFAOYSA-N 1 2 229.299 1.146 20 0 BDADLO COCC[N@H+](CCF)[C@H](C)c1cnccn1 ZINC000852481125 588684047 /nfs/dbraw/zinc/68/40/47/588684047.db2.gz IKIGYMODAOXDCX-SNVBAGLBSA-N 1 2 227.283 1.456 20 0 BDADLO COCC[N@@H+](CCF)[C@H](C)c1cnccn1 ZINC000852481125 588684048 /nfs/dbraw/zinc/68/40/48/588684048.db2.gz IKIGYMODAOXDCX-SNVBAGLBSA-N 1 2 227.283 1.456 20 0 BDADLO COCC[N@H+](CCF)[C@@H](C)C(=O)NC(C)(C)C ZINC000852484330 588685111 /nfs/dbraw/zinc/68/51/11/588685111.db2.gz ADMHFNWBVGZXKV-JTQLQIEISA-N 1 2 248.342 1.208 20 0 BDADLO COCC[N@@H+](CCF)[C@@H](C)C(=O)NC(C)(C)C ZINC000852484330 588685112 /nfs/dbraw/zinc/68/51/12/588685112.db2.gz ADMHFNWBVGZXKV-JTQLQIEISA-N 1 2 248.342 1.208 20 0 BDADLO COCCN(CCF)Cc1cc(OC)cc[nH+]1 ZINC000852483940 588685116 /nfs/dbraw/zinc/68/51/16/588685116.db2.gz RZXGIVGKMYIKFO-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO C[C@]12COC[C@H]1C[N@H+](Cc1cnsn1)C2 ZINC000852535485 588688848 /nfs/dbraw/zinc/68/88/48/588688848.db2.gz FCISPGXVWUIECT-SCZZXKLOSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@]12COC[C@H]1C[N@@H+](Cc1cnsn1)C2 ZINC000852535485 588688849 /nfs/dbraw/zinc/68/88/49/588688849.db2.gz FCISPGXVWUIECT-SCZZXKLOSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@H+](Cc1cnsn1)C2 ZINC000852535486 588688925 /nfs/dbraw/zinc/68/89/25/588688925.db2.gz FCISPGXVWUIECT-WCBMZHEXSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cnsn1)C2 ZINC000852535486 588688926 /nfs/dbraw/zinc/68/89/26/588688926.db2.gz FCISPGXVWUIECT-WCBMZHEXSA-N 1 2 225.317 1.006 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852580965 588691821 /nfs/dbraw/zinc/69/18/21/588691821.db2.gz GPCCYGMELCMQSV-WDEREUQCSA-N 1 2 241.331 1.079 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852585392 588692248 /nfs/dbraw/zinc/69/22/48/588692248.db2.gz FGMOFHMVHYQLQA-QWRGUYRKSA-N 1 2 241.331 1.223 20 0 BDADLO CCC/C=C/C(=O)Nc1ccc(N)[nH+]c1 ZINC000852794611 588703176 /nfs/dbraw/zinc/70/31/76/588703176.db2.gz AZQLPBKCGGCMGX-SNAWJCMRSA-N 1 2 205.261 1.959 20 0 BDADLO Cc1ncc(C(=O)OCC[NH+]2CCC2)s1 ZINC000861386960 589162625 /nfs/dbraw/zinc/16/26/25/589162625.db2.gz SHCHJKVNQWJVPY-UHFFFAOYSA-N 1 2 226.301 1.314 20 0 BDADLO O=C(OCC[NH+]1CCC1)c1nc(Cl)cs1 ZINC000861392208 589164687 /nfs/dbraw/zinc/16/46/87/589164687.db2.gz QJIQWUNYCTZGKM-UHFFFAOYSA-N 1 2 246.719 1.659 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCc1c[nH+]cn1C ZINC000861752363 589176364 /nfs/dbraw/zinc/17/63/64/589176364.db2.gz GSQQTIJBFLNWJU-LLVKDONJSA-N 1 2 239.319 1.242 20 0 BDADLO CC(C)=C(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760652 589177013 /nfs/dbraw/zinc/17/70/13/589177013.db2.gz LCWQGLNIMGNOBE-UHFFFAOYSA-N 1 2 219.288 1.651 20 0 BDADLO CC(C)=C(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760652 589177014 /nfs/dbraw/zinc/17/70/14/589177014.db2.gz LCWQGLNIMGNOBE-UHFFFAOYSA-N 1 2 219.288 1.651 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NOC(C)C)CC2 ZINC000861881349 589181802 /nfs/dbraw/zinc/18/18/02/589181802.db2.gz SRJQTBMZPCTYFR-SNVBAGLBSA-N 1 2 237.303 1.210 20 0 BDADLO CCN(CC(=O)OC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000862238612 589195999 /nfs/dbraw/zinc/19/59/99/589195999.db2.gz CBNAIVDZEMAEPT-UHFFFAOYSA-N 1 2 225.292 1.021 20 0 BDADLO C[C@@H](CSC(C)(C)C)[NH2+]Cc1c[nH]nn1 ZINC000862424358 589212044 /nfs/dbraw/zinc/21/20/44/589212044.db2.gz MUUJQQXLMWLYKG-QMMMGPOBSA-N 1 2 228.365 1.815 20 0 BDADLO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cn[nH]n1 ZINC000862424358 589212045 /nfs/dbraw/zinc/21/20/45/589212045.db2.gz MUUJQQXLMWLYKG-QMMMGPOBSA-N 1 2 228.365 1.815 20 0 BDADLO CC/C(C)=C(\C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862971536 589250101 /nfs/dbraw/zinc/25/01/01/589250101.db2.gz UQWSCYOCBLITCE-IIANPFDCSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C(\C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862971536 589250103 /nfs/dbraw/zinc/25/01/03/589250103.db2.gz UQWSCYOCBLITCE-IIANPFDCSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000863305306 589277627 /nfs/dbraw/zinc/27/76/27/589277627.db2.gz LCYCJRKGEQLUMF-SDDRHHMPSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000863305306 589277628 /nfs/dbraw/zinc/27/76/28/589277628.db2.gz LCYCJRKGEQLUMF-SDDRHHMPSA-N 1 2 238.331 1.066 20 0 BDADLO CCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863479625 589292701 /nfs/dbraw/zinc/29/27/01/589292701.db2.gz SMBWMYPBFQKNIR-UHFFFAOYSA-N 1 2 200.282 1.854 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH+]c1 ZINC000864090706 589343556 /nfs/dbraw/zinc/34/35/56/589343556.db2.gz ITIXNFIYZFLAEE-BQSGVUBFSA-N 1 2 248.326 1.485 20 0 BDADLO CC(=O)CCn1cc(C[NH+]2CCCCC2)nn1 ZINC000864094613 589344428 /nfs/dbraw/zinc/34/44/28/589344428.db2.gz KXQITRPSOVAYQU-UHFFFAOYSA-N 1 2 236.319 1.243 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864392039 589357626 /nfs/dbraw/zinc/35/76/26/589357626.db2.gz HJJXQEPOBIGWNT-MWLCHTKSSA-N 1 2 237.303 1.234 20 0 BDADLO CC(C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000864494739 589374754 /nfs/dbraw/zinc/37/47/54/589374754.db2.gz QDBGZRXZFQPFAC-UHFFFAOYSA-N 1 2 233.315 1.516 20 0 BDADLO CC[NH+](CC)Cc1cn(CCC(C)=O)nn1 ZINC000864642829 589387222 /nfs/dbraw/zinc/38/72/22/589387222.db2.gz WYIHUBAGMVBGSH-UHFFFAOYSA-N 1 2 224.308 1.099 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)NCC1CC1 ZINC000864698656 589391015 /nfs/dbraw/zinc/39/10/15/589391015.db2.gz XRCXXMVFVKHRNH-UHFFFAOYSA-N 1 2 247.273 1.542 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864720498 589391362 /nfs/dbraw/zinc/39/13/62/589391362.db2.gz QSUQCEMSPWNOFI-VIFPVBQESA-N 1 2 248.317 1.878 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864720498 589391364 /nfs/dbraw/zinc/39/13/64/589391364.db2.gz QSUQCEMSPWNOFI-VIFPVBQESA-N 1 2 248.317 1.878 20 0 BDADLO CC[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000864851974 589397749 /nfs/dbraw/zinc/39/77/49/589397749.db2.gz XUMDLPYCWNWJAY-ONGXEEELSA-N 1 2 237.303 1.092 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000864878784 589399553 /nfs/dbraw/zinc/39/95/53/589399553.db2.gz AZPICCJWJKPNQS-BJIOATRMSA-N 1 2 244.310 1.087 20 0 BDADLO CC(C)(C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864991320 589403518 /nfs/dbraw/zinc/40/35/18/589403518.db2.gz XMETZAAPZDJEEI-SNAWJCMRSA-N 1 2 240.347 1.037 20 0 BDADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C1CC1)C1CC1 ZINC000865062927 589406963 /nfs/dbraw/zinc/40/69/63/589406963.db2.gz MJYIHEFRCFDABV-LBPRGKRZSA-N 1 2 249.314 1.090 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000865092422 589408605 /nfs/dbraw/zinc/40/86/05/589408605.db2.gz PZSRWSRSFJVXMT-KRPLZJQNSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000865092422 589408607 /nfs/dbraw/zinc/40/86/07/589408607.db2.gz PZSRWSRSFJVXMT-KRPLZJQNSA-N 1 2 244.310 1.087 20 0 BDADLO Cc1cnc(F)c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000865159304 589411929 /nfs/dbraw/zinc/41/19/29/589411929.db2.gz XDQQWEVWLRZGHJ-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CC/C=C(/F)C(=O)NCc1[nH+]ccn1C ZINC000865158135 589412187 /nfs/dbraw/zinc/41/21/87/589412187.db2.gz IZZAUOIAPAMACL-XBXARRHUSA-N 1 2 211.240 1.300 20 0 BDADLO CC(C)CNC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374540 589427864 /nfs/dbraw/zinc/42/78/64/589427864.db2.gz GLSKPJGHTTXOCZ-UHFFFAOYSA-N 1 2 237.347 1.953 20 0 BDADLO COc1nn(C)cc1NCc1cn(C2CC2)c[nH+]1 ZINC000865541143 589444733 /nfs/dbraw/zinc/44/47/33/589444733.db2.gz BMFDTOBFXZAWJJ-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO CCCNc1cc(N(C)C2CC(O)C2)nc[nH+]1 ZINC000865677672 589455766 /nfs/dbraw/zinc/45/57/66/589455766.db2.gz HDWWWCQNTZUASG-UHFFFAOYSA-N 1 2 236.319 1.258 20 0 BDADLO CCCNc1cc(N(C)C2CC(O)C2)[nH+]cn1 ZINC000865677672 589455767 /nfs/dbraw/zinc/45/57/67/589455767.db2.gz HDWWWCQNTZUASG-UHFFFAOYSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](O)c1ccc(N(C)C2CC(O)C2)[nH+]c1 ZINC000865677850 589455967 /nfs/dbraw/zinc/45/59/67/589455967.db2.gz NELSZDVPIQTEPP-MFAVDMRSSA-N 1 2 222.288 1.094 20 0 BDADLO C[C@H](O)c1ccc(N2CCC[C@@H]2CCO)[nH+]c1 ZINC000865689764 589456096 /nfs/dbraw/zinc/45/60/96/589456096.db2.gz OIXBUJLVFSXUBC-CMPLNLGQSA-N 1 2 236.315 1.486 20 0 BDADLO CCC1(CNc2ccc([C@@H](C)O)c[nH+]2)COC1 ZINC000865859021 589465638 /nfs/dbraw/zinc/46/56/38/589465638.db2.gz INQZGZWESBBNPL-SNVBAGLBSA-N 1 2 236.315 1.973 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H]2CC[C@H](C(N)=O)C2)[nH+]c1 ZINC000865865011 589465982 /nfs/dbraw/zinc/46/59/82/589465982.db2.gz LUDZJSRETRVZMJ-WCABBAIRSA-N 1 2 249.314 1.201 20 0 BDADLO CSCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000120795764 589466326 /nfs/dbraw/zinc/46/63/26/589466326.db2.gz MSTOMCYEXULFIQ-VIFPVBQESA-N 1 2 249.401 1.330 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878660 589467080 /nfs/dbraw/zinc/46/70/80/589467080.db2.gz VSPHESHSZXLCLT-LPTSXCQYSA-N 1 2 245.326 1.559 20 0 BDADLO FCC[N@@H+]1CCC[C@H](Nc2cc(F)ncn2)C1 ZINC000865928006 589468884 /nfs/dbraw/zinc/46/88/84/589468884.db2.gz NSSYOSLQNPFNCQ-VIFPVBQESA-N 1 2 242.273 1.462 20 0 BDADLO FCC[N@H+]1CCC[C@H](Nc2cc(F)ncn2)C1 ZINC000865928006 589468885 /nfs/dbraw/zinc/46/88/85/589468885.db2.gz NSSYOSLQNPFNCQ-VIFPVBQESA-N 1 2 242.273 1.462 20 0 BDADLO Nc1nc(NC/C=C/CO)nc(C2CCCC2)[nH+]1 ZINC000865936094 589469397 /nfs/dbraw/zinc/46/93/97/589469397.db2.gz FIADFZZNOMLMRW-ONEGZZNKSA-N 1 2 249.318 1.072 20 0 BDADLO Nc1nc(NC/C=C/CO)[nH+]c(C2CCCC2)n1 ZINC000865936094 589469398 /nfs/dbraw/zinc/46/93/98/589469398.db2.gz FIADFZZNOMLMRW-ONEGZZNKSA-N 1 2 249.318 1.072 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1nnnn1C1CC1 ZINC000866153444 589478234 /nfs/dbraw/zinc/47/82/34/589478234.db2.gz PJNBFKCINWWLJR-MRVPVSSYSA-N 1 2 230.275 1.576 20 0 BDADLO Cc1nc(N[C@H](C)c2nnnn2C2CC2)cc[nH+]1 ZINC000866154782 589478294 /nfs/dbraw/zinc/47/82/94/589478294.db2.gz OTPFRBFFIONPJG-SSDOTTSWSA-N 1 2 245.290 1.280 20 0 BDADLO Cc1nnc(NC[C@@H]2c3ccccc3C[N@H+]2C)o1 ZINC000866194837 589479522 /nfs/dbraw/zinc/47/95/22/589479522.db2.gz KLIMAWZHWGQASC-GFCCVEGCSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1nnc(NC[C@@H]2c3ccccc3C[N@@H+]2C)o1 ZINC000866194837 589479523 /nfs/dbraw/zinc/47/95/23/589479523.db2.gz KLIMAWZHWGQASC-GFCCVEGCSA-N 1 2 244.298 1.977 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866267812 589483766 /nfs/dbraw/zinc/48/37/66/589483766.db2.gz HYKYWSGYEAJNFY-IQJOONFLSA-N 1 2 237.303 1.090 20 0 BDADLO Cc1nnc(N2CCN(C)c3[nH+]cccc3C2)o1 ZINC000866293286 589484527 /nfs/dbraw/zinc/48/45/27/589484527.db2.gz ILOFDAVTFLZCCD-UHFFFAOYSA-N 1 2 245.286 1.229 20 0 BDADLO CN1CCN(c2cnccn2)Cc2ccc[nH+]c21 ZINC000866292100 589484535 /nfs/dbraw/zinc/48/45/35/589484535.db2.gz HBLBFAJQDQQLEJ-UHFFFAOYSA-N 1 2 241.298 1.328 20 0 BDADLO COC/C=C\C(=O)Nc1ccc(C)[nH+]c1C ZINC000866491446 589497271 /nfs/dbraw/zinc/49/72/71/589497271.db2.gz BYLFXXZGLVUCAA-PLNGDYQASA-N 1 2 220.272 1.840 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ncc[nH]1 ZINC000866634900 589506301 /nfs/dbraw/zinc/50/63/01/589506301.db2.gz VJHRDKCBYOOMNA-NXEZZACHSA-N 1 2 231.303 1.792 20 0 BDADLO COC[C@H](C)OC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000867494331 589522455 /nfs/dbraw/zinc/52/24/55/589522455.db2.gz BMCBNJOGERKEAS-QMMMGPOBSA-N 1 2 227.264 1.013 20 0 BDADLO COC[C@H](C)OC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000867494331 589522457 /nfs/dbraw/zinc/52/24/57/589522457.db2.gz BMCBNJOGERKEAS-QMMMGPOBSA-N 1 2 227.264 1.013 20 0 BDADLO CCN(CC)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867711404 589531667 /nfs/dbraw/zinc/53/16/67/589531667.db2.gz KJWJEDKUGBZNSG-NSHDSACASA-N 1 2 245.342 1.472 20 0 BDADLO CCN(CC)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867711404 589531668 /nfs/dbraw/zinc/53/16/68/589531668.db2.gz KJWJEDKUGBZNSG-NSHDSACASA-N 1 2 245.342 1.472 20 0 BDADLO CCN(CC1CCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867948276 589541167 /nfs/dbraw/zinc/54/11/67/589541167.db2.gz RNNHGJMDGZLSDO-NSHDSACASA-N 1 2 237.303 1.092 20 0 BDADLO CC/C=C(\F)C(=O)NCc1c[nH+]c(C)nc1N ZINC000868290396 589554213 /nfs/dbraw/zinc/55/42/13/589554213.db2.gz NNGLNAXPHFSYSA-WTKPLQERSA-N 1 2 238.266 1.247 20 0 BDADLO CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H]1C1CC1 ZINC000868443071 589558479 /nfs/dbraw/zinc/55/84/79/589558479.db2.gz SKFSVTBRSDADCM-QWRGUYRKSA-N 1 2 249.314 1.090 20 0 BDADLO CC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H]1C1CC1 ZINC000868443067 589558487 /nfs/dbraw/zinc/55/84/87/589558487.db2.gz SKFSVTBRSDADCM-GHMZBOCLSA-N 1 2 249.314 1.090 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868467385 589559369 /nfs/dbraw/zinc/55/93/69/589559369.db2.gz JDYYBHQIVPSULM-MWLCHTKSSA-N 1 2 239.319 1.480 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000868507428 589561737 /nfs/dbraw/zinc/56/17/37/589561737.db2.gz VNLBQDBRUFZTGZ-KAMPLNKDSA-N 1 2 233.315 1.879 20 0 BDADLO CC/C=C(/F)C(=O)NCc1c[nH+]ccc1OC ZINC000868546416 589563473 /nfs/dbraw/zinc/56/34/73/589563473.db2.gz YRTDHAPVHFYSBE-ONNFQVAWSA-N 1 2 238.262 1.970 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\SC ZINC000868677390 589572653 /nfs/dbraw/zinc/57/26/53/589572653.db2.gz KOVFSBFAGNJKKN-RDOCRHDPSA-N 1 2 239.344 1.957 20 0 BDADLO COC/C=C\C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000868741787 589575277 /nfs/dbraw/zinc/57/52/77/589575277.db2.gz TULZLQYSQOPAIK-HWKXXFMVSA-N 1 2 235.287 1.208 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCC2(CC2)CC1 ZINC000869490838 589608944 /nfs/dbraw/zinc/60/89/44/589608944.db2.gz GJPSLOOOCDDRHX-NSHDSACASA-N 1 2 249.314 1.236 20 0 BDADLO CCOC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000869770081 589629263 /nfs/dbraw/zinc/62/92/63/589629263.db2.gz YCHPOZQLVJZKQZ-UHFFFAOYSA-N 1 2 226.276 1.241 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000869889176 589636048 /nfs/dbraw/zinc/63/60/48/589636048.db2.gz WMMCBEOSXYBGAR-LPTSXCQYSA-N 1 2 248.326 1.798 20 0 BDADLO Cc1cnc(F)c(C(=O)OCc2c[nH+]cn2C)c1 ZINC000870220520 589650255 /nfs/dbraw/zinc/65/02/55/589650255.db2.gz XRVXWZLFVLPACT-UHFFFAOYSA-N 1 2 249.245 1.620 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000871095547 589725577 /nfs/dbraw/zinc/72/55/77/589725577.db2.gz WYMNMUNAXILCAR-KYZUINATSA-N 1 2 239.344 1.271 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)Cc2[nH+]c[nH]c2C)C1 ZINC000871095547 589725579 /nfs/dbraw/zinc/72/55/79/589725579.db2.gz WYMNMUNAXILCAR-KYZUINATSA-N 1 2 239.344 1.271 20 0 BDADLO COC(C)(C)CCNC(=O)CCn1cc[nH+]c1 ZINC000871256643 589751078 /nfs/dbraw/zinc/75/10/78/589751078.db2.gz VNQNVBHLNPHXNU-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CC[S@@](=O)CCNc1nc[nH+]c2c1CCC2 ZINC000123725390 589787004 /nfs/dbraw/zinc/78/70/04/589787004.db2.gz OEKLJDCSMZUKHX-INIZCTEOSA-N 1 2 239.344 1.146 20 0 BDADLO NC(=O)CCSCc1[nH+]ccn1CC(F)F ZINC000871680119 589789329 /nfs/dbraw/zinc/78/93/29/589789329.db2.gz VMTHPVSEDKPAIZ-UHFFFAOYSA-N 1 2 249.286 1.257 20 0 BDADLO C[C@H]1OCC[C@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000871742092 589802479 /nfs/dbraw/zinc/80/24/79/589802479.db2.gz JSTNFPAFEVIHLK-ZJUUUORDSA-N 1 2 244.335 1.725 20 0 BDADLO COCCCCO[NH+]=C(N)COC1CCC1 ZINC000871776819 589814101 /nfs/dbraw/zinc/81/41/01/589814101.db2.gz YVWJYWIYDOLYOT-UHFFFAOYSA-N 1 2 230.308 1.481 20 0 BDADLO CC(C)(C)c1cn(C[C@H](O)C2CC2)c[nH+]1 ZINC000871989077 589853797 /nfs/dbraw/zinc/85/37/97/589853797.db2.gz KECKDBBLLBRLRV-JTQLQIEISA-N 1 2 208.305 1.952 20 0 BDADLO CON(C)C(=O)CCn1c[nH+]c(C(C)(C)C)c1 ZINC000871989595 589854174 /nfs/dbraw/zinc/85/41/74/589854174.db2.gz PXSKQWNWDQQOIB-UHFFFAOYSA-N 1 2 239.319 1.591 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000872129971 589877801 /nfs/dbraw/zinc/87/78/01/589877801.db2.gz CJAZVPHHKRYRCK-GXSJLCMTSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cncs1 ZINC000872134965 589878072 /nfs/dbraw/zinc/87/80/72/589878072.db2.gz ARDOMPRNRGSXGA-ZETCQYMHSA-N 1 2 224.289 1.685 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cncnc1C ZINC000872134244 589878609 /nfs/dbraw/zinc/87/86/09/589878609.db2.gz ASOICNDRNDMFAX-SSDOTTSWSA-N 1 2 233.275 1.327 20 0 BDADLO Cc1nonc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872270981 589903530 /nfs/dbraw/zinc/90/35/30/589903530.db2.gz HUVHRXDFRNKGGJ-VIFPVBQESA-N 1 2 247.245 1.234 20 0 BDADLO Cc1nonc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872270981 589903533 /nfs/dbraw/zinc/90/35/33/589903533.db2.gz HUVHRXDFRNKGGJ-VIFPVBQESA-N 1 2 247.245 1.234 20 0 BDADLO CC(C)c1cc(NCC[S@](C)=O)nc[nH+]1 ZINC000124024117 589905526 /nfs/dbraw/zinc/90/55/26/589905526.db2.gz DDZWLDCDDWYOEH-OAHLLOKOSA-N 1 2 227.333 1.390 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC(C(C)=O)CC1 ZINC000872667335 589960092 /nfs/dbraw/zinc/96/00/92/589960092.db2.gz CVWBMGOOPVYLME-UHFFFAOYSA-N 1 2 249.314 1.599 20 0 BDADLO CCCNc1cc(NCc2nonc2C)nc[nH+]1 ZINC000872777580 589968930 /nfs/dbraw/zinc/96/89/30/589968930.db2.gz HYOPYVUCBBZIQB-UHFFFAOYSA-N 1 2 248.290 1.602 20 0 BDADLO CCCNc1cc(NCc2nonc2C)[nH+]cn1 ZINC000872777580 589968932 /nfs/dbraw/zinc/96/89/32/589968932.db2.gz HYOPYVUCBBZIQB-UHFFFAOYSA-N 1 2 248.290 1.602 20 0 BDADLO CCc1cc(C(=O)OCCn2cc[nH+]c2)n(C)n1 ZINC000873477938 590047696 /nfs/dbraw/zinc/04/76/96/590047696.db2.gz DOSCEWUMXHBDMQ-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO Cc1ccc(CCC[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c[nH+]1 ZINC000874053844 590088508 /nfs/dbraw/zinc/08/85/08/590088508.db2.gz JHDNUFYSCJUGCJ-JOCQHMNTSA-N 1 2 248.326 1.775 20 0 BDADLO C[C@H](O)c1ccc(N2CCOC[C@H]2C)[nH+]c1 ZINC000124914968 590098756 /nfs/dbraw/zinc/09/87/56/590098756.db2.gz MHWGEYRPLLGNRC-ZJUUUORDSA-N 1 2 222.288 1.360 20 0 BDADLO C[C@H](O)c1ccc(N2CCOC[C@@H]2C)[nH+]c1 ZINC000124915226 590099150 /nfs/dbraw/zinc/09/91/50/590099150.db2.gz MHWGEYRPLLGNRC-UWVGGRQHSA-N 1 2 222.288 1.360 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@@H](C)C2)[nH+]c1 ZINC000124923874 590102216 /nfs/dbraw/zinc/10/22/16/590102216.db2.gz QGJRFKIIXIIBMB-ZJUUUORDSA-N 1 2 206.289 1.981 20 0 BDADLO Cc1nocc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000888720810 590196230 /nfs/dbraw/zinc/19/62/30/590196230.db2.gz RIESEOWSZJPZMT-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO Cc1nocc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000888720810 590196232 /nfs/dbraw/zinc/19/62/32/590196232.db2.gz RIESEOWSZJPZMT-UHFFFAOYSA-N 1 2 235.247 1.370 20 0 BDADLO Cc1cc(C)cc(CC[N@@H+]2CCNC(=O)C2)c1 ZINC000876535557 590211024 /nfs/dbraw/zinc/21/10/24/590211024.db2.gz YQXPSCIPBOFZBG-UHFFFAOYSA-N 1 2 232.327 1.278 20 0 BDADLO Cc1cc(C)cc(CC[N@H+]2CCNC(=O)C2)c1 ZINC000876535557 590211025 /nfs/dbraw/zinc/21/10/25/590211025.db2.gz YQXPSCIPBOFZBG-UHFFFAOYSA-N 1 2 232.327 1.278 20 0 BDADLO CC[N@H+](CCOC)Cc1cc(OC)cnc1F ZINC000876568024 590216912 /nfs/dbraw/zinc/21/69/12/590216912.db2.gz DECZVGVQWPBIDX-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO CC[N@@H+](CCOC)Cc1cc(OC)cnc1F ZINC000876568024 590216913 /nfs/dbraw/zinc/21/69/13/590216913.db2.gz DECZVGVQWPBIDX-UHFFFAOYSA-N 1 2 242.294 1.698 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876610646 590221596 /nfs/dbraw/zinc/22/15/96/590221596.db2.gz GUXWOKQPAZGZDF-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876610646 590221597 /nfs/dbraw/zinc/22/15/97/590221597.db2.gz GUXWOKQPAZGZDF-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO COc1cnc(F)c(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000876690806 590231405 /nfs/dbraw/zinc/23/14/05/590231405.db2.gz RTEDIXIREHWZDM-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COc1cnc(F)c(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC000876690806 590231406 /nfs/dbraw/zinc/23/14/06/590231406.db2.gz RTEDIXIREHWZDM-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000876815018 590245838 /nfs/dbraw/zinc/24/58/38/590245838.db2.gz MFFPYIRCQHXSEY-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000876815018 590245839 /nfs/dbraw/zinc/24/58/39/590245839.db2.gz MFFPYIRCQHXSEY-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1csc(C[N@@H+]2CCC3(C2)OCCO3)n1 ZINC000126178205 590245911 /nfs/dbraw/zinc/24/59/11/590245911.db2.gz RCAYYEYJTQBIMJ-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO Cc1csc(C[N@H+]2CCC3(C2)OCCO3)n1 ZINC000126178205 590245913 /nfs/dbraw/zinc/24/59/13/590245913.db2.gz RCAYYEYJTQBIMJ-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+]Cc2ccon2)cc1C ZINC000877076109 590278563 /nfs/dbraw/zinc/27/85/63/590278563.db2.gz MEWGASVDIOOCPO-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COc1cc[nH+]cc1NCc1ncc(C)o1 ZINC000877116302 590288457 /nfs/dbraw/zinc/28/84/57/590288457.db2.gz WHLOVYBLUGQLKP-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO Clc1ccc(C[N@H+]2CC=CCC2)nn1 ZINC000877167570 590295473 /nfs/dbraw/zinc/29/54/73/590295473.db2.gz CHKCZGXCSZXTJV-UHFFFAOYSA-N 1 2 209.680 1.892 20 0 BDADLO Clc1ccc(C[N@@H+]2CC=CCC2)nn1 ZINC000877167570 590295474 /nfs/dbraw/zinc/29/54/74/590295474.db2.gz CHKCZGXCSZXTJV-UHFFFAOYSA-N 1 2 209.680 1.892 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CC2(C1)CCOC2 ZINC000877554695 590356826 /nfs/dbraw/zinc/35/68/26/590356826.db2.gz NLRVSOPMMZWUJP-UHFFFAOYSA-N 1 2 236.319 1.081 20 0 BDADLO CC[C@H]([NH2+]Cc1nc(Cl)cs1)C(=O)NC ZINC000877575946 590363831 /nfs/dbraw/zinc/36/38/31/590363831.db2.gz FUPSEIUOOHITRW-LURJTMIESA-N 1 2 247.751 1.411 20 0 BDADLO CCCn1cc(C[NH+]2CC(C)(CC)C2)nn1 ZINC000877582348 590366856 /nfs/dbraw/zinc/36/68/56/590366856.db2.gz RZVSPRYOBIKTLR-UHFFFAOYSA-N 1 2 222.336 1.920 20 0 BDADLO CCC[C@H]([NH2+]CC(=O)NOCC)C1CCC1 ZINC000877614360 590373990 /nfs/dbraw/zinc/37/39/90/590373990.db2.gz XCGIMOMMAMQSLI-NSHDSACASA-N 1 2 228.336 1.613 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000877629711 590378234 /nfs/dbraw/zinc/37/82/34/590378234.db2.gz VKYDIWRJJNVSIL-VXGBXAGGSA-N 1 2 244.298 1.083 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000877632674 590378659 /nfs/dbraw/zinc/37/86/59/590378659.db2.gz JIZOXEWMEMCMTR-NSHDSACASA-N 1 2 219.288 1.428 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000877632674 590378660 /nfs/dbraw/zinc/37/86/60/590378660.db2.gz JIZOXEWMEMCMTR-NSHDSACASA-N 1 2 219.288 1.428 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000877633019 590379208 /nfs/dbraw/zinc/37/92/08/590379208.db2.gz WCCZGXXAXYFAJP-JTQLQIEISA-N 1 2 221.304 1.162 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000877633019 590379210 /nfs/dbraw/zinc/37/92/10/590379210.db2.gz WCCZGXXAXYFAJP-JTQLQIEISA-N 1 2 221.304 1.162 20 0 BDADLO Cc1c(F)nccc1C[NH2+]Cc1ncc[nH]1 ZINC000877672584 590389128 /nfs/dbraw/zinc/38/91/28/590389128.db2.gz HSMNASVRGZRBNJ-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CC1([NH2+]Cc2cc3c(cc[nH]c3=O)o2)COC1 ZINC000877691157 590392875 /nfs/dbraw/zinc/39/28/75/590392875.db2.gz JSNPIRSVLKUJBR-UHFFFAOYSA-N 1 2 234.255 1.412 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000126729536 590428555 /nfs/dbraw/zinc/42/85/55/590428555.db2.gz SKDSDCTWJIEKIV-SECBINFHSA-N 1 2 239.319 1.200 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000126729536 590428558 /nfs/dbraw/zinc/42/85/58/590428558.db2.gz SKDSDCTWJIEKIV-SECBINFHSA-N 1 2 239.319 1.200 20 0 BDADLO Cc1ccc2c(c1)N[C@@H](c1c[nH+]cn1C)NC2=O ZINC000877864633 590434287 /nfs/dbraw/zinc/43/42/87/590434287.db2.gz PGPZFXHDSIUNFN-GFCCVEGCSA-N 1 2 242.282 1.583 20 0 BDADLO CON(C)Cc1[nH+]ccn1CC(F)F ZINC000877945389 590454669 /nfs/dbraw/zinc/45/46/69/590454669.db2.gz VNAVFZNMXCWMPB-UHFFFAOYSA-N 1 2 205.208 1.141 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc(C(F)(F)F)co1 ZINC000877959828 590458484 /nfs/dbraw/zinc/45/84/84/590458484.db2.gz BRZNSDWDIMMPNI-UHFFFAOYSA-N 1 2 236.193 1.216 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc(C(F)(F)F)co1 ZINC000877959828 590458485 /nfs/dbraw/zinc/45/84/85/590458485.db2.gz BRZNSDWDIMMPNI-UHFFFAOYSA-N 1 2 236.193 1.216 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1O ZINC000126831286 590463929 /nfs/dbraw/zinc/46/39/29/590463929.db2.gz CVOMLUILSVJDKK-CBAPKCEASA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1O ZINC000126831286 590463932 /nfs/dbraw/zinc/46/39/32/590463932.db2.gz CVOMLUILSVJDKK-CBAPKCEASA-N 1 2 246.763 1.999 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@@H](O)C(C)C ZINC000878043973 590479314 /nfs/dbraw/zinc/47/93/14/590479314.db2.gz GTFVHVMCUODRLJ-SNVBAGLBSA-N 1 2 231.336 1.325 20 0 BDADLO O=S1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878093354 590491760 /nfs/dbraw/zinc/49/17/60/590491760.db2.gz IUMTZUBGPAVFMX-GRYCIOLGSA-N 1 2 243.372 1.008 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nccn2CC(F)F)C1 ZINC000878166160 590513070 /nfs/dbraw/zinc/51/30/70/590513070.db2.gz NJBRAPKGXKMKQM-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nccn2CC(F)F)C1 ZINC000878166160 590513071 /nfs/dbraw/zinc/51/30/71/590513071.db2.gz NJBRAPKGXKMKQM-SECBINFHSA-N 1 2 245.273 1.369 20 0 BDADLO Cc1conc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000878194108 590522251 /nfs/dbraw/zinc/52/22/51/590522251.db2.gz DHXWKYZPXRMYAM-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1conc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000878194108 590522253 /nfs/dbraw/zinc/52/22/53/590522253.db2.gz DHXWKYZPXRMYAM-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO O[C@H](C[C@@H](O)c1ccccc1)Cn1cc[nH+]c1 ZINC000878208476 590524327 /nfs/dbraw/zinc/52/43/27/590524327.db2.gz VMRDFMOTYUGRHX-CHWSQXEVSA-N 1 2 232.283 1.368 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CC[C@H](O)C(C)C)no1 ZINC000878238799 590528731 /nfs/dbraw/zinc/52/87/31/590528731.db2.gz DSPAVQXLTSJTKQ-JTQLQIEISA-N 1 2 241.335 1.610 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000878291963 590535804 /nfs/dbraw/zinc/53/58/04/590535804.db2.gz SAARVIPNWSTBSI-GFCCVEGCSA-N 1 2 223.320 1.175 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000878291963 590535805 /nfs/dbraw/zinc/53/58/05/590535805.db2.gz SAARVIPNWSTBSI-GFCCVEGCSA-N 1 2 223.320 1.175 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1nocc1C ZINC000878318570 590544321 /nfs/dbraw/zinc/54/43/21/590544321.db2.gz VMMORWAARFQRTB-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1nocc1C ZINC000878318570 590544322 /nfs/dbraw/zinc/54/43/22/590544322.db2.gz VMMORWAARFQRTB-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nccn1CC(F)F ZINC000878319446 590544357 /nfs/dbraw/zinc/54/43/57/590544357.db2.gz RWVHCRZYOHSWIN-BDAKNGLRSA-N 1 2 245.273 1.103 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nccn1CC(F)F ZINC000878319446 590544358 /nfs/dbraw/zinc/54/43/58/590544358.db2.gz RWVHCRZYOHSWIN-BDAKNGLRSA-N 1 2 245.273 1.103 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@@H](O)C(C)C)C(C)C ZINC000878415193 590562850 /nfs/dbraw/zinc/56/28/50/590562850.db2.gz RJGUCWSYFFOPOB-MNOVXSKESA-N 1 2 231.336 1.181 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477113 590575125 /nfs/dbraw/zinc/57/51/25/590575125.db2.gz GSSXXRZGOZPVGU-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477113 590575126 /nfs/dbraw/zinc/57/51/26/590575126.db2.gz GSSXXRZGOZPVGU-NXEZZACHSA-N 1 2 237.290 1.095 20 0 BDADLO C=C/C=C/CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000878477256 590575310 /nfs/dbraw/zinc/57/53/10/590575310.db2.gz HWWXNSBEEDPISY-FSIBCCDJSA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C/CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000878477256 590575311 /nfs/dbraw/zinc/57/53/11/590575311.db2.gz HWWXNSBEEDPISY-FSIBCCDJSA-N 1 2 217.259 1.821 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1nc(C3CCC3)no1)C2 ZINC000878482764 590577613 /nfs/dbraw/zinc/57/76/13/590577613.db2.gz YCHPWNCECPSDNH-GXFFZTMASA-N 1 2 249.314 1.151 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nc(C3CCC3)no1)C2 ZINC000878482764 590577615 /nfs/dbraw/zinc/57/76/15/590577615.db2.gz YCHPWNCECPSDNH-GXFFZTMASA-N 1 2 249.314 1.151 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1CCC=C(C)C1 ZINC000878548862 590590706 /nfs/dbraw/zinc/59/07/06/590590706.db2.gz XBNBVUQQKAYLIB-UHFFFAOYSA-N 1 2 245.326 1.981 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1CCC=C(C)C1 ZINC000878548862 590590708 /nfs/dbraw/zinc/59/07/08/590590708.db2.gz XBNBVUQQKAYLIB-UHFFFAOYSA-N 1 2 245.326 1.981 20 0 BDADLO CC1(C)CO[C@H](C[N@@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000878561777 590592160 /nfs/dbraw/zinc/59/21/60/590592160.db2.gz QOYUHQNUNMZKNG-UWVGGRQHSA-N 1 2 249.301 1.767 20 0 BDADLO CC1(C)CO[C@H](C[N@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000878561777 590592161 /nfs/dbraw/zinc/59/21/61/590592161.db2.gz QOYUHQNUNMZKNG-UWVGGRQHSA-N 1 2 249.301 1.767 20 0 BDADLO C=C/C=C\CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622219 590597105 /nfs/dbraw/zinc/59/71/05/590597105.db2.gz MSTFXQFMSKMWGY-BYCRGOAPSA-N 1 2 248.330 1.822 20 0 BDADLO C=C/C=C\CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000878622219 590597107 /nfs/dbraw/zinc/59/71/07/590597107.db2.gz MSTFXQFMSKMWGY-BYCRGOAPSA-N 1 2 248.330 1.822 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2CCOCC(F)(F)C2)C1 ZINC000878623268 590597479 /nfs/dbraw/zinc/59/74/79/590597479.db2.gz IKQCZPXUMKZWOS-AOOOYVTPSA-N 1 2 235.274 1.379 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2CCOCC(F)(F)C2)C1 ZINC000878623268 590597481 /nfs/dbraw/zinc/59/74/81/590597481.db2.gz IKQCZPXUMKZWOS-AOOOYVTPSA-N 1 2 235.274 1.379 20 0 BDADLO Cc1cn2cc(NC(=O)COC3CC3)ccc2[nH+]1 ZINC000878641264 590599437 /nfs/dbraw/zinc/59/94/37/590599437.db2.gz RSNFDAGFYGXWLO-UHFFFAOYSA-N 1 2 245.282 1.760 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nccn1CC(F)F ZINC000878651650 590602444 /nfs/dbraw/zinc/60/24/44/590602444.db2.gz CGBRJLYYMITDCO-DTWKUNHWSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nccn1CC(F)F ZINC000878651650 590602445 /nfs/dbraw/zinc/60/24/45/590602445.db2.gz CGBRJLYYMITDCO-DTWKUNHWSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@@H]1[C@@H](C)CN1Cc1[nH+]ccn1CC(F)F ZINC000878651650 590602446 /nfs/dbraw/zinc/60/24/46/590602446.db2.gz CGBRJLYYMITDCO-DTWKUNHWSA-N 1 2 229.274 1.988 20 0 BDADLO C[C@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678310 590608843 /nfs/dbraw/zinc/60/88/43/590608843.db2.gz SPKDKSQJWOVBME-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678310 590608844 /nfs/dbraw/zinc/60/88/44/590608844.db2.gz SPKDKSQJWOVBME-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](C)CC(C)(C)C ZINC000878700352 590610377 /nfs/dbraw/zinc/61/03/77/590610377.db2.gz QAAJOVONJRLXBM-GXFFZTMASA-N 1 2 245.363 1.572 20 0 BDADLO O=C(COC1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878719778 590616291 /nfs/dbraw/zinc/61/62/91/590616291.db2.gz HAIUZEOJLFQGJX-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1C/C=C\Cl ZINC000878751309 590618941 /nfs/dbraw/zinc/61/89/41/590618941.db2.gz XGJHXSUUEHLIJN-YVAZZEHLSA-N 1 2 230.739 1.678 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1C/C=C\Cl ZINC000878751309 590618942 /nfs/dbraw/zinc/61/89/42/590618942.db2.gz XGJHXSUUEHLIJN-YVAZZEHLSA-N 1 2 230.739 1.678 20 0 BDADLO O=C(C[N@H+]1CCC=C(Cl)C1)NCC1CC1 ZINC000878791214 590623368 /nfs/dbraw/zinc/62/33/68/590623368.db2.gz BADKUGGNEBWJOW-UHFFFAOYSA-N 1 2 228.723 1.341 20 0 BDADLO O=C(C[N@@H+]1CCC=C(Cl)C1)NCC1CC1 ZINC000878791214 590623369 /nfs/dbraw/zinc/62/33/69/590623369.db2.gz BADKUGGNEBWJOW-UHFFFAOYSA-N 1 2 228.723 1.341 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000878884799 590639347 /nfs/dbraw/zinc/63/93/47/590639347.db2.gz LYAIFEJXPHFBSN-UHFFFAOYSA-N 1 2 244.285 1.902 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000878884799 590639351 /nfs/dbraw/zinc/63/93/51/590639351.db2.gz LYAIFEJXPHFBSN-UHFFFAOYSA-N 1 2 244.285 1.902 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000878915455 590649635 /nfs/dbraw/zinc/64/96/35/590649635.db2.gz VIENETHPQUHFMV-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000878915455 590649639 /nfs/dbraw/zinc/64/96/39/590649639.db2.gz VIENETHPQUHFMV-AEJSXWLSSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000878969801 590663189 /nfs/dbraw/zinc/66/31/89/590663189.db2.gz CRLZTMNPRKHPIG-CYBMUJFWSA-N 1 2 247.298 1.139 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000878969149 590663672 /nfs/dbraw/zinc/66/36/72/590663672.db2.gz LTXQGNUYMPSTON-NWDGAFQWSA-N 1 2 243.347 1.639 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000878969149 590663675 /nfs/dbraw/zinc/66/36/75/590663675.db2.gz LTXQGNUYMPSTON-NWDGAFQWSA-N 1 2 243.347 1.639 20 0 BDADLO CO[C@H]1C[N@H+](Cc2csc(C)c2)CCO1 ZINC000878970637 590665466 /nfs/dbraw/zinc/66/54/66/590665466.db2.gz WELKGCJOFPIIFG-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2csc(C)c2)CCO1 ZINC000878970637 590665468 /nfs/dbraw/zinc/66/54/68/590665468.db2.gz WELKGCJOFPIIFG-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC1(O)CCCCC1 ZINC000879185223 590710635 /nfs/dbraw/zinc/71/06/35/590710635.db2.gz HQGPPGUCSASSAN-UHFFFAOYSA-N 1 2 237.347 1.845 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)no1 ZINC000879321717 590742101 /nfs/dbraw/zinc/74/21/01/590742101.db2.gz QUZAUVFDTFWSHN-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)no1 ZINC000879321717 590742103 /nfs/dbraw/zinc/74/21/03/590742103.db2.gz QUZAUVFDTFWSHN-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)OCC(C)C)C1 ZINC000879322733 590742716 /nfs/dbraw/zinc/74/27/16/590742716.db2.gz VMTYMAKELNNVJZ-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)OCC(C)C)C1 ZINC000879322733 590742717 /nfs/dbraw/zinc/74/27/17/590742717.db2.gz VMTYMAKELNNVJZ-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H]1C[N@H+](CC(C)=O)CCC1(F)F ZINC000879367498 590750864 /nfs/dbraw/zinc/75/08/64/590750864.db2.gz IOWTXLDNQSPVEX-VIFPVBQESA-N 1 2 249.257 1.096 20 0 BDADLO CCOC(=O)[C@@H]1C[N@@H+](CC(C)=O)CCC1(F)F ZINC000879367498 590750869 /nfs/dbraw/zinc/75/08/69/590750869.db2.gz IOWTXLDNQSPVEX-VIFPVBQESA-N 1 2 249.257 1.096 20 0 BDADLO CCOC(=O)[C@H]1C[N@H+](CCF)CCC1(F)F ZINC000879369004 590755806 /nfs/dbraw/zinc/75/58/06/590755806.db2.gz ZXWSYNGRQCDMIF-MRVPVSSYSA-N 1 2 239.237 1.476 20 0 BDADLO CCOC(=O)[C@H]1C[N@@H+](CCF)CCC1(F)F ZINC000879369004 590755810 /nfs/dbraw/zinc/75/58/10/590755810.db2.gz ZXWSYNGRQCDMIF-MRVPVSSYSA-N 1 2 239.237 1.476 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000879440023 590770225 /nfs/dbraw/zinc/77/02/25/590770225.db2.gz AXEWZJJQTJBJDJ-AAEUAGOBSA-N 1 2 247.342 1.515 20 0 BDADLO CN(Cc1c[nH+]cn1C)OCC(F)(F)F ZINC000879513265 590785880 /nfs/dbraw/zinc/78/58/80/590785880.db2.gz HLCZSKOYINKNRZ-UHFFFAOYSA-N 1 2 223.198 1.346 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC=C[C@@H]1CO ZINC000879525537 590789546 /nfs/dbraw/zinc/78/95/46/590789546.db2.gz NKWJJKARXLLDLQ-LLVKDONJSA-N 1 2 247.298 1.463 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)s1 ZINC000879622533 590836993 /nfs/dbraw/zinc/83/69/93/590836993.db2.gz LTHRHXVKDXATGS-VIFPVBQESA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)s1 ZINC000879622533 590836997 /nfs/dbraw/zinc/83/69/97/590836997.db2.gz LTHRHXVKDXATGS-VIFPVBQESA-N 1 2 241.360 1.439 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879668815 590846004 /nfs/dbraw/zinc/84/60/04/590846004.db2.gz ZKYFSUZLFVGTFN-HTQZYQBOSA-N 1 2 237.221 1.646 20 0 BDADLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCO ZINC000127926858 590847000 /nfs/dbraw/zinc/84/70/00/590847000.db2.gz ZHVPVPAPIWAJPP-UHFFFAOYSA-N 1 2 238.118 1.151 20 0 BDADLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCO ZINC000127926858 590847005 /nfs/dbraw/zinc/84/70/05/590847005.db2.gz ZHVPVPAPIWAJPP-UHFFFAOYSA-N 1 2 238.118 1.151 20 0 BDADLO Cc1ccnc(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC000879686066 590848244 /nfs/dbraw/zinc/84/82/44/590848244.db2.gz RRUDJSNSQRDQMJ-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2ccnn2C)on1 ZINC000879687768 590848938 /nfs/dbraw/zinc/84/89/38/590848938.db2.gz WTTXGGUUJAITAI-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000879927691 590890376 /nfs/dbraw/zinc/89/03/76/590890376.db2.gz DNSKFMCHUCLFNM-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CC1(C)COC1 ZINC000879981153 590902578 /nfs/dbraw/zinc/90/25/78/590902578.db2.gz OFPLXWZIHSFFNY-NSHDSACASA-N 1 2 241.331 1.344 20 0 BDADLO COC(=O)[C@@H](Cc1cncs1)[NH2+]CCCF ZINC000879990501 590905364 /nfs/dbraw/zinc/90/53/64/590905364.db2.gz DLUGJDNQMXRWLA-SECBINFHSA-N 1 2 246.307 1.176 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880065963 590916747 /nfs/dbraw/zinc/91/67/47/590916747.db2.gz ZGIUTROYTRVUSP-BDAKNGLRSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880065963 590916751 /nfs/dbraw/zinc/91/67/51/590916751.db2.gz ZGIUTROYTRVUSP-BDAKNGLRSA-N 1 2 239.237 1.617 20 0 BDADLO COCC1([N@H+](C)Cc2csnn2)CCC1 ZINC000880185184 590952281 /nfs/dbraw/zinc/95/22/81/590952281.db2.gz IEHYEZCKWIEDMH-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO COCC1([N@@H+](C)Cc2csnn2)CCC1 ZINC000880185184 590952282 /nfs/dbraw/zinc/95/22/82/590952282.db2.gz IEHYEZCKWIEDMH-UHFFFAOYSA-N 1 2 227.333 1.539 20 0 BDADLO FC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000880238781 590970855 /nfs/dbraw/zinc/97/08/55/590970855.db2.gz XQQGZXULWDFADU-VIFPVBQESA-N 1 2 212.272 1.029 20 0 BDADLO FC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000880238781 590970860 /nfs/dbraw/zinc/97/08/60/590970860.db2.gz XQQGZXULWDFADU-VIFPVBQESA-N 1 2 212.272 1.029 20 0 BDADLO CCc1nnc([C@@H](C)[NH+]2CCC(F)CC2)[nH]1 ZINC000880239231 590972343 /nfs/dbraw/zinc/97/23/43/590972343.db2.gz XLPAAOMJKOMCMV-MRVPVSSYSA-N 1 2 226.299 1.862 20 0 BDADLO COCCc1noc(C[NH+]2CCC(F)CC2)n1 ZINC000880242077 590975152 /nfs/dbraw/zinc/97/51/52/590975152.db2.gz OBQJQXPFMIFNEB-UHFFFAOYSA-N 1 2 243.282 1.192 20 0 BDADLO CCc1nnc(C[NH+]2CCC(F)CC2)o1 ZINC000880243636 590976791 /nfs/dbraw/zinc/97/67/91/590976791.db2.gz OSQWNOYKSNDSNX-UHFFFAOYSA-N 1 2 213.256 1.566 20 0 BDADLO Cc1coc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000880266092 590980733 /nfs/dbraw/zinc/98/07/33/590980733.db2.gz SMRIDLAXEYYISF-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880298452 590992255 /nfs/dbraw/zinc/99/22/55/590992255.db2.gz BFKBXBQPANTBMY-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880298452 590992258 /nfs/dbraw/zinc/99/22/58/590992258.db2.gz BFKBXBQPANTBMY-JTQLQIEISA-N 1 2 226.299 1.480 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880299181 590993629 /nfs/dbraw/zinc/99/36/29/590993629.db2.gz POIUFMSJXHDORI-VIFPVBQESA-N 1 2 241.314 1.220 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880299181 590993632 /nfs/dbraw/zinc/99/36/32/590993632.db2.gz POIUFMSJXHDORI-VIFPVBQESA-N 1 2 241.314 1.220 20 0 BDADLO FC[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000880300821 590997290 /nfs/dbraw/zinc/99/72/90/590997290.db2.gz XGWFRHCOFGYZCQ-ZETCQYMHSA-N 1 2 201.270 1.330 20 0 BDADLO FC[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000880300821 590997293 /nfs/dbraw/zinc/99/72/93/590997293.db2.gz XGWFRHCOFGYZCQ-ZETCQYMHSA-N 1 2 201.270 1.330 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@H](CF)C2)cc1Cl ZINC000880301755 590998595 /nfs/dbraw/zinc/99/85/95/590998595.db2.gz XYNMYWTYANCSGY-MRVPVSSYSA-N 1 2 231.702 1.865 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@H](CF)C2)cc1Cl ZINC000880301755 590998596 /nfs/dbraw/zinc/99/85/96/590998596.db2.gz XYNMYWTYANCSGY-MRVPVSSYSA-N 1 2 231.702 1.865 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@@H](CF)C2)cc1Cl ZINC000880301756 590999149 /nfs/dbraw/zinc/99/91/49/590999149.db2.gz XYNMYWTYANCSGY-QMMMGPOBSA-N 1 2 231.702 1.865 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@@H](CF)C2)cc1Cl ZINC000880301756 590999150 /nfs/dbraw/zinc/99/91/50/590999150.db2.gz XYNMYWTYANCSGY-QMMMGPOBSA-N 1 2 231.702 1.865 20 0 BDADLO Cc1nocc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000880446809 591047022 /nfs/dbraw/zinc/04/70/22/591047022.db2.gz SBVDKYQGNSHJAT-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO Cc1nocc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000880446809 591047027 /nfs/dbraw/zinc/04/70/27/591047027.db2.gz SBVDKYQGNSHJAT-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000880446215 591047322 /nfs/dbraw/zinc/04/73/22/591047322.db2.gz TULNJUPKVGDMLX-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000880486272 591060914 /nfs/dbraw/zinc/06/09/14/591060914.db2.gz MXYXBYKBFXEKMW-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cccc(Cl)n1 ZINC000880486272 591060918 /nfs/dbraw/zinc/06/09/18/591060918.db2.gz MXYXBYKBFXEKMW-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC000880599597 591107580 /nfs/dbraw/zinc/10/75/80/591107580.db2.gz NHKFDORZEUAYKB-UHFFFAOYSA-N 1 2 233.315 1.450 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCc2ncncc2C1 ZINC000880599597 591107583 /nfs/dbraw/zinc/10/75/83/591107583.db2.gz NHKFDORZEUAYKB-UHFFFAOYSA-N 1 2 233.315 1.450 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCc3ncncc3C2)[nH]1 ZINC000880598355 591107940 /nfs/dbraw/zinc/10/79/40/591107940.db2.gz OOBXEAOKNVZBLC-MRVPVSSYSA-N 1 2 244.302 1.022 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCc3ncncc3C2)[nH]1 ZINC000880598355 591107944 /nfs/dbraw/zinc/10/79/44/591107944.db2.gz OOBXEAOKNVZBLC-MRVPVSSYSA-N 1 2 244.302 1.022 20 0 BDADLO C/C=C/CNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880823379 591143520 /nfs/dbraw/zinc/14/35/20/591143520.db2.gz BWWBFSCXMVOGPJ-ONEGZZNKSA-N 1 2 249.318 1.026 20 0 BDADLO C/C=C/CNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880823379 591143524 /nfs/dbraw/zinc/14/35/24/591143524.db2.gz BWWBFSCXMVOGPJ-ONEGZZNKSA-N 1 2 249.318 1.026 20 0 BDADLO c1c[nH+]c(Cn2cc([C@@H]3CCCCO3)nn2)[nH]1 ZINC000880948538 591154192 /nfs/dbraw/zinc/15/41/92/591154192.db2.gz ZQAORTDTUWUWJS-JTQLQIEISA-N 1 2 233.275 1.291 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000881498354 591220805 /nfs/dbraw/zinc/22/08/05/591220805.db2.gz ISCOLJWDJWUZBT-MNOVXSKESA-N 1 2 245.326 1.597 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000881498354 591220806 /nfs/dbraw/zinc/22/08/06/591220806.db2.gz ISCOLJWDJWUZBT-MNOVXSKESA-N 1 2 245.326 1.597 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C=CCC1 ZINC000881499136 591221994 /nfs/dbraw/zinc/22/19/94/591221994.db2.gz QYQWTXCMSHLGHV-QWRGUYRKSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C=CCC1 ZINC000881499136 591221996 /nfs/dbraw/zinc/22/19/96/591221996.db2.gz QYQWTXCMSHLGHV-QWRGUYRKSA-N 1 2 233.315 1.671 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CF)C1 ZINC000881600269 591252422 /nfs/dbraw/zinc/25/24/22/591252422.db2.gz HSNBDUGOJUZZHZ-SNVBAGLBSA-N 1 2 239.294 1.171 20 0 BDADLO CC(C)(C)c1nnc(NCCn2cc[nH+]c2)o1 ZINC000881763473 591269201 /nfs/dbraw/zinc/26/92/01/591269201.db2.gz YFMXTMJTUPBVGC-UHFFFAOYSA-N 1 2 235.291 1.676 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CC(=O)N(C(C)C)C2)c1C ZINC000881902291 591277141 /nfs/dbraw/zinc/27/71/41/591277141.db2.gz ZONTUPNZQUOUIO-LLVKDONJSA-N 1 2 248.330 1.515 20 0 BDADLO COCC1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000881976461 591284614 /nfs/dbraw/zinc/28/46/14/591284614.db2.gz LKOCWDKIKDQDCL-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)C(C)C)c1C ZINC000882006657 591287568 /nfs/dbraw/zinc/28/75/68/591287568.db2.gz SXTXDEIYWCRHMV-JTQLQIEISA-N 1 2 209.293 1.522 20 0 BDADLO Cc1[nH+]cnc(NC[C@@]2(O)CCSC2)c1C ZINC000882049272 591291278 /nfs/dbraw/zinc/29/12/78/591291278.db2.gz OKJVUVJKIZFUDI-NSHDSACASA-N 1 2 239.344 1.373 20 0 BDADLO Cc1cc(N)nc(SCC[C@H](O)C(C)C)[nH+]1 ZINC000882068997 591293907 /nfs/dbraw/zinc/29/39/07/591293907.db2.gz KPZHTIGIHLKBPM-VIFPVBQESA-N 1 2 241.360 1.866 20 0 BDADLO CCn1cnnc1SCc1cn(C)c[nH+]1 ZINC000882082564 591295481 /nfs/dbraw/zinc/29/54/81/591295481.db2.gz PNECTFQVDLJXQL-UHFFFAOYSA-N 1 2 223.305 1.324 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CC[C@H](O)CC2)c1C ZINC000882129625 591302765 /nfs/dbraw/zinc/30/27/65/591302765.db2.gz WUWCKJSADHGTDI-XYPYZODXSA-N 1 2 221.304 1.809 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)C[S@@](C)=O)c1C ZINC000882177585 591311852 /nfs/dbraw/zinc/31/18/52/591311852.db2.gz HGQVGLGUKFGVNN-KWKYVRJSSA-N 1 2 227.333 1.272 20 0 BDADLO Cc1ncnc(N[C@@H]2CCn3cc[nH+]c32)c1C ZINC000882407516 591343792 /nfs/dbraw/zinc/34/37/92/591343792.db2.gz UFDPWMSZPJDINA-SNVBAGLBSA-N 1 2 229.287 1.847 20 0 BDADLO Cc1cnc(CNc2nc[nH+]c(C)c2C)nc1 ZINC000882467086 591353468 /nfs/dbraw/zinc/35/34/68/591353468.db2.gz XMHOVURWEIUNAZ-UHFFFAOYSA-N 1 2 229.287 1.804 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2CCN(C)C(=O)C2)c1C ZINC000882477752 591357265 /nfs/dbraw/zinc/35/72/65/591357265.db2.gz WRKFXFGPNVVRMZ-NSHDSACASA-N 1 2 248.330 1.374 20 0 BDADLO CC(C)(Nc1cnc(F)cn1)c1[nH]cc[nH+]1 ZINC000882626609 591402524 /nfs/dbraw/zinc/40/25/24/591402524.db2.gz NOFNVFIZGFZGJD-UHFFFAOYSA-N 1 2 221.239 1.686 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000882682422 591411175 /nfs/dbraw/zinc/41/11/75/591411175.db2.gz YBUWCHSZNYPUBL-BDPUXZDNSA-N 1 2 234.274 1.478 20 0 BDADLO CCCNc1cc(NCc2ccn(C)n2)nc[nH+]1 ZINC000212481086 591411767 /nfs/dbraw/zinc/41/17/67/591411767.db2.gz GOINRJUROIVBQF-UHFFFAOYSA-N 1 2 246.318 1.644 20 0 BDADLO CCCNc1cc(NCc2ccn(C)n2)[nH+]cn1 ZINC000212481086 591411769 /nfs/dbraw/zinc/41/17/69/591411769.db2.gz GOINRJUROIVBQF-UHFFFAOYSA-N 1 2 246.318 1.644 20 0 BDADLO CC1(C)C[C@@H](O)CN(c2cc[nH+]cc2F)C1 ZINC000882702982 591411826 /nfs/dbraw/zinc/41/18/26/591411826.db2.gz PGRPJMZFHKEPAO-SECBINFHSA-N 1 2 224.279 1.818 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@@H]2C=CCC2)[nH+]cn1 ZINC000882757729 591431003 /nfs/dbraw/zinc/43/10/03/591431003.db2.gz OFKUWKXTOUPELN-WDEREUQCSA-N 1 2 248.330 1.647 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@@H]2C=CCC2)nc[nH+]1 ZINC000882757729 591431004 /nfs/dbraw/zinc/43/10/04/591431004.db2.gz OFKUWKXTOUPELN-WDEREUQCSA-N 1 2 248.330 1.647 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@@H](CF)C1 ZINC000882803640 591445320 /nfs/dbraw/zinc/44/53/20/591445320.db2.gz ZANUJXSJWYWPAX-JTQLQIEISA-N 1 2 239.294 1.980 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](CF)C1 ZINC000882838947 591450288 /nfs/dbraw/zinc/45/02/88/591450288.db2.gz BLCNUBRZPYNOKH-SECBINFHSA-N 1 2 210.252 1.886 20 0 BDADLO CCN(CC(C)(C)O)c1ccc([C@@H](C)O)c[nH+]1 ZINC000213292218 591460037 /nfs/dbraw/zinc/46/00/37/591460037.db2.gz VGYUISQBKSZMNS-SNVBAGLBSA-N 1 2 238.331 1.732 20 0 BDADLO CO[C@@H]1COCC[C@H]1N(C)c1cc(C)[nH+]cn1 ZINC000882937694 591478565 /nfs/dbraw/zinc/47/85/65/591478565.db2.gz SQIXRUYDGCSMMA-GHMZBOCLSA-N 1 2 237.303 1.025 20 0 BDADLO NC(CO)=[NH+]OCC1CCCCCC1 ZINC000883012071 591512247 /nfs/dbraw/zinc/51/22/47/591512247.db2.gz SBOSFZHVDHANOP-UHFFFAOYSA-N 1 2 200.282 1.448 20 0 BDADLO Cc1nc(N2CC=C[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000882976729 591490195 /nfs/dbraw/zinc/49/01/95/591490195.db2.gz LQUMRPPTEPFWEA-LLVKDONJSA-N 1 2 245.326 1.401 20 0 BDADLO CCCCc1nc(CO[NH+]=C(N)CO)cs1 ZINC000883011061 591510485 /nfs/dbraw/zinc/51/04/85/591510485.db2.gz JGMLLTNGSOAGIW-UHFFFAOYSA-N 1 2 243.332 1.476 20 0 BDADLO C[C@@H](O[NH+]=C(N)CO)c1ncc(C(C)(C)C)o1 ZINC000883012011 591513384 /nfs/dbraw/zinc/51/33/84/591513384.db2.gz QAVLAXYDRJRDSN-SSDOTTSWSA-N 1 2 241.291 1.524 20 0 BDADLO CC1(C)C[C@H](CO[NH+]=C(N)CO)C(C)(C)O1 ZINC000883013403 591515124 /nfs/dbraw/zinc/51/51/24/591515124.db2.gz NMENHTYJHJBPMX-MRVPVSSYSA-N 1 2 230.308 1.071 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3c(n2)CCC3)no1 ZINC000883027594 591519505 /nfs/dbraw/zinc/51/95/05/591519505.db2.gz GXPKZPVNRLHWNP-UHFFFAOYSA-N 1 2 229.283 1.848 20 0 BDADLO Cc1nc([C@H](C)O[NH+]=C(N)c2ccccc2)no1 ZINC000883048857 591527906 /nfs/dbraw/zinc/52/79/06/591527906.db2.gz XEVKNHBFLILBOV-QMMMGPOBSA-N 1 2 246.270 1.986 20 0 BDADLO CC(C)c1c[nH]c(CN[C@H](C)c2ncn(C)n2)[nH+]1 ZINC000883098139 591539279 /nfs/dbraw/zinc/53/92/79/591539279.db2.gz DDMREDTXVXKBGE-SECBINFHSA-N 1 2 248.334 1.512 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C=CCC1 ZINC000883143407 591549923 /nfs/dbraw/zinc/54/99/23/591549923.db2.gz JXOQQHRZTUUWHQ-RYUDHWBXSA-N 1 2 248.330 1.537 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)C(F)F ZINC000883407293 591650772 /nfs/dbraw/zinc/65/07/72/591650772.db2.gz QTHWSQQZIMJDFS-ZCFIWIBFSA-N 1 2 204.195 1.964 20 0 BDADLO CCCNc1cc(NC[C@H](C)COC)nc[nH+]1 ZINC000132291487 591697642 /nfs/dbraw/zinc/69/76/42/591697642.db2.gz HDNPNNRNWSMSCJ-JTQLQIEISA-N 1 2 238.335 1.993 20 0 BDADLO CCCNc1cc(NC[C@H](C)COC)[nH+]cn1 ZINC000132291487 591697647 /nfs/dbraw/zinc/69/76/47/591697647.db2.gz HDNPNNRNWSMSCJ-JTQLQIEISA-N 1 2 238.335 1.993 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC[C@H]2C=CCC2)c1 ZINC000883686347 591719413 /nfs/dbraw/zinc/71/94/13/591719413.db2.gz GWLCPEVBDQDZQW-NSHDSACASA-N 1 2 248.330 1.228 20 0 BDADLO C=C/C=C\CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000883686279 591719811 /nfs/dbraw/zinc/71/98/11/591719811.db2.gz FINXXNNNAGROLQ-PLNGDYQASA-N 1 2 248.330 1.394 20 0 BDADLO CCn1cc(C[N@H+](CC)C[C@H]2CCCO2)nn1 ZINC000883999301 591790339 /nfs/dbraw/zinc/79/03/39/591790339.db2.gz RYHSCVHFQGETIU-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1cc(C[N@@H+](CC)C[C@H]2CCCO2)nn1 ZINC000883999301 591790342 /nfs/dbraw/zinc/79/03/42/591790342.db2.gz RYHSCVHFQGETIU-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)nn1 ZINC000884003950 591791732 /nfs/dbraw/zinc/79/17/32/591791732.db2.gz WNEHYKJQQGYHSC-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C2CCC2)CCO1 ZINC000800123653 591826158 /nfs/dbraw/zinc/82/61/58/591826158.db2.gz NYXRRWVFCQISNY-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C2CCC2)CCO1 ZINC000800123653 591826161 /nfs/dbraw/zinc/82/61/61/591826161.db2.gz NYXRRWVFCQISNY-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(F)F ZINC000800171290 591831042 /nfs/dbraw/zinc/83/10/42/591831042.db2.gz DERZNZZFYWLHEC-MRVPVSSYSA-N 1 2 249.257 1.238 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(F)F ZINC000800171290 591831045 /nfs/dbraw/zinc/83/10/45/591831045.db2.gz DERZNZZFYWLHEC-MRVPVSSYSA-N 1 2 249.257 1.238 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C2CC=CC2)CCO1 ZINC000800175295 591831673 /nfs/dbraw/zinc/83/16/73/591831673.db2.gz ZTXRMIQFWLCALP-NSHDSACASA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C2CC=CC2)CCO1 ZINC000800175295 591831675 /nfs/dbraw/zinc/83/16/75/591831675.db2.gz ZTXRMIQFWLCALP-NSHDSACASA-N 1 2 239.315 1.217 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1CCC=CCC1 ZINC000884195206 591873014 /nfs/dbraw/zinc/87/30/14/591873014.db2.gz FOHDHAZAWIYUFZ-UHFFFAOYSA-N 1 2 248.330 1.681 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1cccc(F)n1 ZINC000134318020 591915947 /nfs/dbraw/zinc/91/59/47/591915947.db2.gz WKLZWZQCDIVWKZ-UHFFFAOYSA-N 1 2 249.249 1.239 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCCCCCC1 ZINC000134809532 591952091 /nfs/dbraw/zinc/95/20/91/591952091.db2.gz BKYWUBWPGSNNKS-UHFFFAOYSA-N 1 2 236.319 1.838 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCCCCCC1 ZINC000134809532 591952094 /nfs/dbraw/zinc/95/20/94/591952094.db2.gz BKYWUBWPGSNNKS-UHFFFAOYSA-N 1 2 236.319 1.838 20 0 BDADLO CCc1nc(NCC2([S@](C)=O)CC2)cc[nH+]1 ZINC000884497343 591956914 /nfs/dbraw/zinc/95/69/14/591956914.db2.gz VVYTVWCXCNLVOW-INIZCTEOSA-N 1 2 239.344 1.362 20 0 BDADLO CCc1nc(NCC2=CCCOC2)cc[nH+]1 ZINC000884509320 591960934 /nfs/dbraw/zinc/96/09/34/591960934.db2.gz CKWUGRCBPMMNTH-UHFFFAOYSA-N 1 2 219.288 1.798 20 0 BDADLO CCc1nc(NC[C@@H](CC)OC)cc[nH+]1 ZINC000884511414 591961428 /nfs/dbraw/zinc/96/14/28/591961428.db2.gz GEPWEHCLFDVVAU-SECBINFHSA-N 1 2 209.293 1.876 20 0 BDADLO CCc1nc(N2C[C@@H](F)[C@@H](F)C2)cc[nH+]1 ZINC000884519985 591964718 /nfs/dbraw/zinc/96/47/18/591964718.db2.gz JJPFOGUJQBNLKQ-OCAPTIKFSA-N 1 2 213.231 1.535 20 0 BDADLO CCc1nccc(NCc2ccc[nH+]c2N)n1 ZINC000884521420 591965197 /nfs/dbraw/zinc/96/51/97/591965197.db2.gz WUVANLRVTYXIKZ-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO CCc1nc(NC[C@@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000884535331 591970220 /nfs/dbraw/zinc/97/02/20/591970220.db2.gz AXDZWZAANUVEOH-SNVBAGLBSA-N 1 2 248.330 1.319 20 0 BDADLO CCc1nc(N(C)Cc2nnc(C)o2)cc[nH+]1 ZINC000884555476 591977337 /nfs/dbraw/zinc/97/73/37/591977337.db2.gz RYVJBFQNGSZANL-UHFFFAOYSA-N 1 2 233.275 1.367 20 0 BDADLO CCc1nc(NCCOCCF)cc[nH+]1 ZINC000884561159 591980176 /nfs/dbraw/zinc/98/01/76/591980176.db2.gz RBHGZHMFDSXLNL-UHFFFAOYSA-N 1 2 213.256 1.437 20 0 BDADLO CCc1nc(N2CCC[C@@](O)(CC)C2)cc[nH+]1 ZINC000884571364 591984293 /nfs/dbraw/zinc/98/42/93/591984293.db2.gz NJUCLFJZOUZZRO-ZDUSSCGKSA-N 1 2 235.331 1.780 20 0 BDADLO CCc1nc(NC2CC(C(=O)OC)C2)cc[nH+]1 ZINC000884573058 591984402 /nfs/dbraw/zinc/98/44/02/591984402.db2.gz CFKWBNPVGHFWJS-UHFFFAOYSA-N 1 2 235.287 1.403 20 0 BDADLO CCc1nc(N2CC[C@@H](CF)C2)cc[nH+]1 ZINC000884582268 591986811 /nfs/dbraw/zinc/98/68/11/591986811.db2.gz XZXAWPIMQRGXHA-VIFPVBQESA-N 1 2 209.268 1.835 20 0 BDADLO CCc1nc(N2CC[C@H](CF)C2)cc[nH+]1 ZINC000884582267 591987041 /nfs/dbraw/zinc/98/70/41/591987041.db2.gz XZXAWPIMQRGXHA-SECBINFHSA-N 1 2 209.268 1.835 20 0 BDADLO CCc1nc(N[C@]23C[C@H]2COC3)cc[nH+]1 ZINC000884599805 591992268 /nfs/dbraw/zinc/99/22/68/591992268.db2.gz LDHBATYZBMYFSQ-KWQFWETISA-N 1 2 205.261 1.240 20 0 BDADLO OC[C@H](C[C@H]1CCCO1)Nc1cccc[nH+]1 ZINC000884617326 591995121 /nfs/dbraw/zinc/99/51/21/591995121.db2.gz KZUFAADOJTUGJK-WDEREUQCSA-N 1 2 222.288 1.424 20 0 BDADLO Cc1nc(N[C@@H](CO)C[C@H]2CCCO2)cc[nH+]1 ZINC000884616720 591995142 /nfs/dbraw/zinc/99/51/42/591995142.db2.gz AWOVXXZALRNCQR-GHMZBOCLSA-N 1 2 237.303 1.127 20 0 BDADLO O[C@@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)C[C@@H]1O ZINC000884619744 591995166 /nfs/dbraw/zinc/99/51/66/591995166.db2.gz LIHXCYSGAWWHHU-UOJUARBOSA-N 1 2 244.294 1.531 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1CNc1nc[nH+]c(C)c1C ZINC000884800039 592017872 /nfs/dbraw/zinc/01/78/72/592017872.db2.gz NFSWGCRSWAHIKO-NXEZZACHSA-N 1 2 235.287 1.314 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)CC[C@H]1C ZINC000885076472 592047034 /nfs/dbraw/zinc/04/70/34/592047034.db2.gz UXJULEMXSLIGED-VHSXEESVSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)CC[C@H]1C ZINC000885076472 592047035 /nfs/dbraw/zinc/04/70/35/592047035.db2.gz UXJULEMXSLIGED-VHSXEESVSA-N 1 2 249.314 1.168 20 0 BDADLO COCCOC(=O)NCc1c[nH+]c(C)cc1C ZINC000885224846 592059150 /nfs/dbraw/zinc/05/91/50/592059150.db2.gz UBMZVBZYNZLFKR-UHFFFAOYSA-N 1 2 238.287 1.571 20 0 BDADLO Cc1ncc(CC(=O)OCc2cc[nH+]c(N)c2)o1 ZINC000885340560 592070511 /nfs/dbraw/zinc/07/05/11/592070511.db2.gz UPYVFCSDOKAQAM-UHFFFAOYSA-N 1 2 247.254 1.246 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@]12C[C@H]1CCC2 ZINC000885993710 592124943 /nfs/dbraw/zinc/12/49/43/592124943.db2.gz VAQBYRZQCWFXKC-PWSUYJOCSA-N 1 2 219.288 1.190 20 0 BDADLO C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000886164442 592166951 /nfs/dbraw/zinc/16/69/51/592166951.db2.gz LEDINPPLIZOLFK-MFKMUULPSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000886164442 592166952 /nfs/dbraw/zinc/16/69/52/592166952.db2.gz LEDINPPLIZOLFK-MFKMUULPSA-N 1 2 248.330 1.120 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000886242805 592183678 /nfs/dbraw/zinc/18/36/78/592183678.db2.gz DYKNGPZOQUCPIA-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000886242805 592183681 /nfs/dbraw/zinc/18/36/81/592183681.db2.gz DYKNGPZOQUCPIA-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1csnn1 ZINC000886249544 592186245 /nfs/dbraw/zinc/18/62/45/592186245.db2.gz NBTCRTQCGLBTKU-XNCJUZBTSA-N 1 2 237.275 1.205 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ncco1 ZINC000886276064 592195458 /nfs/dbraw/zinc/19/54/58/592195458.db2.gz VVOCTYBPLMWDTO-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289523 592201689 /nfs/dbraw/zinc/20/16/89/592201689.db2.gz XOLKWADABYBOIZ-GFCCVEGCSA-N 1 2 235.331 1.767 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000890267080 592213858 /nfs/dbraw/zinc/21/38/58/592213858.db2.gz NINSRZPLSMUTOF-MTJJXUSZSA-N 1 2 245.326 1.692 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347836 592214233 /nfs/dbraw/zinc/21/42/33/592214233.db2.gz AHDGLYWGTXYVJU-QYNIQEEDSA-N 1 2 239.710 1.120 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886347836 592214235 /nfs/dbraw/zinc/21/42/35/592214235.db2.gz AHDGLYWGTXYVJU-QYNIQEEDSA-N 1 2 239.710 1.120 20 0 BDADLO C[C@@H](NCCC[NH+]1CCOCC1)c1ncco1 ZINC000886532491 592248629 /nfs/dbraw/zinc/24/86/29/592248629.db2.gz JYOPDJKQAAVIDI-LLVKDONJSA-N 1 2 239.319 1.048 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1(CC)CC1)C2 ZINC000886619862 592278064 /nfs/dbraw/zinc/27/80/64/592278064.db2.gz UBKPPCTWTRNLJH-UHFFFAOYSA-N 1 2 247.342 1.978 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C=C(C)C)C2 ZINC000886628910 592280518 /nfs/dbraw/zinc/28/05/18/592280518.db2.gz JGMMNTYTSUIQOP-UHFFFAOYSA-N 1 2 233.315 1.754 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ncccn1)c1cnn(C)c1 ZINC000886638107 592286355 /nfs/dbraw/zinc/28/63/55/592286355.db2.gz MALRDNRFLVEQGP-CYBMUJFWSA-N 1 2 245.330 1.697 20 0 BDADLO CC[NH+]1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC000074675499 592309033 /nfs/dbraw/zinc/30/90/33/592309033.db2.gz STRWKDVWRUGVDY-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819982 592345416 /nfs/dbraw/zinc/34/54/16/592345416.db2.gz ZNJMLWCNDKXIDR-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819982 592345422 /nfs/dbraw/zinc/34/54/22/592345422.db2.gz ZNJMLWCNDKXIDR-KOLCDFICSA-N 1 2 239.344 1.539 20 0 BDADLO CCOC(=O)[C@H](CCCC(C)C)[NH2+]C[C@@H](C)O ZINC000886934500 592397402 /nfs/dbraw/zinc/39/74/02/592397402.db2.gz YMDSVVMPYBANDZ-NEPJUHHUSA-N 1 2 245.363 1.715 20 0 BDADLO COC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]C(C)C ZINC000886954924 592401464 /nfs/dbraw/zinc/40/14/64/592401464.db2.gz OTIAABMTKPWAAX-VHSXEESVSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886974370 592403710 /nfs/dbraw/zinc/40/37/10/592403710.db2.gz XRZGBKWWSIAWKQ-SNVBAGLBSA-N 1 2 241.331 1.223 20 0 BDADLO OC1(C2(C[NH2+]Cc3ccn[nH]3)CCC2)CCC1 ZINC000886981070 592404816 /nfs/dbraw/zinc/40/48/16/592404816.db2.gz UGAKNNWSQMDSTP-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000887033028 592426081 /nfs/dbraw/zinc/42/60/81/592426081.db2.gz KKPKFUOQJJHUBN-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000887074019 592435300 /nfs/dbraw/zinc/43/53/00/592435300.db2.gz MLVZUAYYKVHTBT-GHMZBOCLSA-N 1 2 241.356 1.686 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1[C@@H]1C=CCCC1 ZINC000887074019 592435305 /nfs/dbraw/zinc/43/53/05/592435305.db2.gz MLVZUAYYKVHTBT-GHMZBOCLSA-N 1 2 241.356 1.686 20 0 BDADLO CCCCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887074341 592435790 /nfs/dbraw/zinc/43/57/90/592435790.db2.gz UNRCTABNXWWWJM-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO CCCCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887074341 592435792 /nfs/dbraw/zinc/43/57/92/592435792.db2.gz UNRCTABNXWWWJM-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1[C@H]1C=CCCC1 ZINC000887074022 592436141 /nfs/dbraw/zinc/43/61/41/592436141.db2.gz MLVZUAYYKVHTBT-WDEREUQCSA-N 1 2 241.356 1.686 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1[C@H]1C=CCCC1 ZINC000887074022 592436145 /nfs/dbraw/zinc/43/61/45/592436145.db2.gz MLVZUAYYKVHTBT-WDEREUQCSA-N 1 2 241.356 1.686 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCC(C)(C)C2CC2)c1 ZINC000887366577 592492386 /nfs/dbraw/zinc/49/23/86/592492386.db2.gz ASWSNQRORHRXCF-VOTSOKGWSA-N 1 2 247.342 1.986 20 0 BDADLO CNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000887735762 592545889 /nfs/dbraw/zinc/54/58/89/592545889.db2.gz CQBLJJUTPPPKGX-XYPYZODXSA-N 1 2 248.330 1.734 20 0 BDADLO C=C=CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000887935638 592561067 /nfs/dbraw/zinc/56/10/67/592561067.db2.gz FCCAYBYWKPADIQ-UHFFFAOYSA-N 1 2 217.272 1.583 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000889320680 592596423 /nfs/dbraw/zinc/59/64/23/592596423.db2.gz CPPKBPKGWNICQQ-IQIPOGNMSA-N 1 2 249.314 1.149 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000889320680 592596425 /nfs/dbraw/zinc/59/64/25/592596425.db2.gz CPPKBPKGWNICQQ-IQIPOGNMSA-N 1 2 249.314 1.149 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@@H](C)CO2)cc[nH+]1 ZINC000889792528 592653508 /nfs/dbraw/zinc/65/35/08/592653508.db2.gz BHRONVYPSZPESC-LDYMZIIASA-N 1 2 220.272 1.175 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109672 592674743 /nfs/dbraw/zinc/67/47/43/592674743.db2.gz FELADFUFFSTWFX-SECBINFHSA-N 1 2 227.333 1.178 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCC23CC3)c1 ZINC000890103973 592680459 /nfs/dbraw/zinc/68/04/59/592680459.db2.gz SCRBXZBNJMTMGP-NSHDSACASA-N 1 2 233.315 1.617 20 0 BDADLO C=C/C(C)=C/CC(=O)NCc1cn(C)c[nH+]1 ZINC000890107360 592681447 /nfs/dbraw/zinc/68/14/47/592681447.db2.gz LLGQJFCEYCHZPZ-BJMVGYQFSA-N 1 2 219.288 1.559 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107019 592681458 /nfs/dbraw/zinc/68/14/58/592681458.db2.gz GLKJKURMFQCEOR-GXSJLCMTSA-N 1 2 239.319 1.097 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000890108169 592682568 /nfs/dbraw/zinc/68/25/68/592682568.db2.gz UZNITTYCXUJKMH-MRVPVSSYSA-N 1 2 243.257 1.472 20 0 BDADLO Cc1cccnc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109465 592682611 /nfs/dbraw/zinc/68/26/11/592682611.db2.gz BXFSLZDHLJAKDH-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)c1cc(C(=O)NCc2cn(C)c[nH+]2)no1 ZINC000890109326 592682650 /nfs/dbraw/zinc/68/26/50/592682650.db2.gz KLTUNZGIYNWUGU-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CCCCS2)c1 ZINC000890109156 592682790 /nfs/dbraw/zinc/68/27/90/592682790.db2.gz DVCHSYASSYGNLI-SNVBAGLBSA-N 1 2 239.344 1.322 20 0 BDADLO CC(C)C(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107608 592683022 /nfs/dbraw/zinc/68/30/22/592683022.db2.gz MUPSTTNUNNYNHZ-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO CSCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890113593 592683636 /nfs/dbraw/zinc/68/36/36/592683636.db2.gz JKXJDNIVVWJDKR-UHFFFAOYSA-N 1 2 227.333 1.180 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)c1ccsc1 ZINC000890113733 592684178 /nfs/dbraw/zinc/68/41/78/592684178.db2.gz NEHRSBWYIJWNIO-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109749 592684287 /nfs/dbraw/zinc/68/42/87/592684287.db2.gz RUNRPZSRSBGHEV-ZJUUUORDSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000890110095 592684364 /nfs/dbraw/zinc/68/43/64/592684364.db2.gz JYPAYZAVATYXKY-URLYPYJESA-N 1 2 219.288 1.082 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110954 592684465 /nfs/dbraw/zinc/68/44/65/592684465.db2.gz XANFLOMDQJBWRA-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)n1nccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890109853 592684857 /nfs/dbraw/zinc/68/48/57/592684857.db2.gz IMKCSZPCCBXLRY-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)COC1CC1 ZINC000890489920 592701908 /nfs/dbraw/zinc/70/19/08/592701908.db2.gz GHMDRPBONCANNH-UHFFFAOYSA-N 1 2 220.272 1.816 20 0 BDADLO C[C@H](O)c1ccc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH+]c1 ZINC000123938297 592715545 /nfs/dbraw/zinc/71/55/45/592715545.db2.gz ACDVSABMSWOBBS-SYEHKZFSSA-N 1 2 248.326 1.342 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000229934385 597248350 /nfs/dbraw/zinc/24/83/50/597248350.db2.gz HTXNFVYKEQPXOT-NXEZZACHSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CCCC(=O)[O-])C[N@H+]1C1CC1 ZINC000229934385 597248354 /nfs/dbraw/zinc/24/83/54/597248354.db2.gz HTXNFVYKEQPXOT-NXEZZACHSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(=O)[O-] ZINC000049501377 598213619 /nfs/dbraw/zinc/21/36/19/598213619.db2.gz LODTVFNMMUZVFJ-WDEREUQCSA-N 1 2 228.336 1.314 20 0 BDADLO CC(C)[NH2+][C@@H]1CCC[N@H+](CCCC(=O)[O-])C1 ZINC000309422634 600318407 /nfs/dbraw/zinc/31/84/07/600318407.db2.gz ZYQTWZMYWJIDFQ-LLVKDONJSA-N 1 2 228.336 1.314 20 0 BDADLO CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000309422634 600318411 /nfs/dbraw/zinc/31/84/11/600318411.db2.gz ZYQTWZMYWJIDFQ-LLVKDONJSA-N 1 2 228.336 1.314 20 0 BDADLO C[N@H+](CC[N+](=O)[O-])CCC(F)(F)F ZINC000379410787 986648860 /nfs/dbraw/zinc/64/88/60/986648860.db2.gz GVQGGPBDPBDFMH-UHFFFAOYSA-N 1 2 200.160 1.147 20 0 BDADLO C[N@@H+](CC[N+](=O)[O-])CCC(F)(F)F ZINC000379410787 986648872 /nfs/dbraw/zinc/64/88/72/986648872.db2.gz GVQGGPBDPBDFMH-UHFFFAOYSA-N 1 2 200.160 1.147 20 0 BDADLO CCc1cc(N2CC[C@H](C)[C@H]2CO)nc(CC)[nH+]1 ZINC000893395609 634397028 /nfs/dbraw/zinc/39/70/28/634397028.db2.gz OWBZKZKTSUGVDB-CMPLNLGQSA-N 1 2 249.358 1.809 20 0 BDADLO CNc1cc(N2CC(C)(C)OC[C@@H]2C)nc[nH+]1 ZINC000893471868 634519776 /nfs/dbraw/zinc/51/97/76/634519776.db2.gz HYTLQHSLPZUJIA-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2CC(C)(C)OC[C@@H]2C)[nH+]cn1 ZINC000893471868 634519782 /nfs/dbraw/zinc/51/97/82/634519782.db2.gz HYTLQHSLPZUJIA-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1CSCCN(c2nccn3c[nH+]cc23)C1 ZINC000893472197 634520990 /nfs/dbraw/zinc/52/09/90/634520990.db2.gz NDLAYGKWLSAFON-SNVBAGLBSA-N 1 2 248.355 1.919 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnc[nH]2)nc1C ZINC000313853095 634533798 /nfs/dbraw/zinc/53/37/98/634533798.db2.gz SVWPUSNBOJQXBG-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO O=C(N[C@H]1CC[N@H+](C/C=C\Cl)C1)C(F)F ZINC001009814246 634589486 /nfs/dbraw/zinc/58/94/86/634589486.db2.gz GCUOZJSWAPINTP-YYHMEYGGSA-N 1 2 238.665 1.195 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](C/C=C\Cl)C1)C(F)F ZINC001009814246 634589490 /nfs/dbraw/zinc/58/94/90/634589490.db2.gz GCUOZJSWAPINTP-YYHMEYGGSA-N 1 2 238.665 1.195 20 0 BDADLO C/C=C/[C@H](O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000909391809 634601936 /nfs/dbraw/zinc/60/19/36/634601936.db2.gz XMWDCKWCBPBBPN-ITKZLYELSA-N 1 2 234.299 1.252 20 0 BDADLO CC1(C(=O)N2CCC[N@H+](CCF)CC2)CCC1 ZINC000981766474 635393978 /nfs/dbraw/zinc/39/39/78/635393978.db2.gz ACCOXFKMYBGCEA-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO CC1(C(=O)N2CCC[N@@H+](CCF)CC2)CCC1 ZINC000981766474 635393985 /nfs/dbraw/zinc/39/39/85/635393985.db2.gz ACCOXFKMYBGCEA-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)COC(C)C ZINC000337504032 635576984 /nfs/dbraw/zinc/57/69/84/635576984.db2.gz NOYMVCIBHQNUME-NEPJUHHUSA-N 1 2 245.363 1.977 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1occc1Br ZINC000308347476 631293380 /nfs/dbraw/zinc/29/33/80/631293380.db2.gz WIMYFXNSBPJZKI-ZETCQYMHSA-N 1 2 248.120 1.855 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1occc1Br ZINC000308347476 631293383 /nfs/dbraw/zinc/29/33/83/631293383.db2.gz WIMYFXNSBPJZKI-ZETCQYMHSA-N 1 2 248.120 1.855 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+](C)CCO ZINC000891444312 631305663 /nfs/dbraw/zinc/30/56/63/631305663.db2.gz JFFAWWSCOUFSDX-UHFFFAOYSA-N 1 2 217.700 1.050 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+](C)CCO ZINC000891444312 631305668 /nfs/dbraw/zinc/30/56/68/631305668.db2.gz JFFAWWSCOUFSDX-UHFFFAOYSA-N 1 2 217.700 1.050 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308390744 631310180 /nfs/dbraw/zinc/31/01/80/631310180.db2.gz KGQWVIBCKHVRCR-SECBINFHSA-N 1 2 219.288 1.326 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(F)c2)CCO1 ZINC000051160488 631337666 /nfs/dbraw/zinc/33/76/66/631337666.db2.gz CCGFORVYNCKPBI-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(F)c2)CCO1 ZINC000051160488 631337673 /nfs/dbraw/zinc/33/76/73/631337673.db2.gz CCGFORVYNCKPBI-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)SC)n1 ZINC000308736376 631360350 /nfs/dbraw/zinc/36/03/50/631360350.db2.gz LPYVTDFXXLXJFM-LURJTMIESA-N 1 2 201.295 1.603 20 0 BDADLO OCC[N@H+](Cc1nccn1C1CC1)C1CC1 ZINC000891619090 631412102 /nfs/dbraw/zinc/41/21/02/631412102.db2.gz KCZCICIQVLHKHH-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO OCC[N@@H+](Cc1nccn1C1CC1)C1CC1 ZINC000891619090 631412105 /nfs/dbraw/zinc/41/21/05/631412105.db2.gz KCZCICIQVLHKHH-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO CCc1cc(N2CCO[C@@H](C)C2)nc(CC)[nH+]1 ZINC000891651826 631428545 /nfs/dbraw/zinc/42/85/45/631428545.db2.gz YCWNVKQCORAVSK-JTQLQIEISA-N 1 2 235.331 1.827 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000308576759 631434211 /nfs/dbraw/zinc/43/42/11/631434211.db2.gz DUEQPPWHGHYAJH-VTSJMVTISA-N 1 2 207.220 1.181 20 0 BDADLO c1ncc(C[NH2+][C@@H]2CCCc3cccnc32)[nH]1 ZINC000091661877 631542879 /nfs/dbraw/zinc/54/28/79/631542879.db2.gz ZVFHJMPYCYKNDS-GFCCVEGCSA-N 1 2 228.299 1.972 20 0 BDADLO CNc1cc(N[C@@H]2CCO[C@@H](C)C2)[nH+]cn1 ZINC000234522984 631567469 /nfs/dbraw/zinc/56/74/69/631567469.db2.gz ICJWUFNTMOTIFK-DTWKUNHWSA-N 1 2 222.292 1.498 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000934013139 631592104 /nfs/dbraw/zinc/59/21/04/631592104.db2.gz FVSRQSCCYVDBQB-NSHDSACASA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000934013139 631592107 /nfs/dbraw/zinc/59/21/07/631592107.db2.gz FVSRQSCCYVDBQB-NSHDSACASA-N 1 2 213.227 1.531 20 0 BDADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]1CO ZINC000934014075 631595996 /nfs/dbraw/zinc/59/59/96/631595996.db2.gz KIYKHSNPAQPVAI-UWVGGRQHSA-N 1 2 229.320 1.173 20 0 BDADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]1CO ZINC000934014075 631595999 /nfs/dbraw/zinc/59/59/99/631595999.db2.gz KIYKHSNPAQPVAI-UWVGGRQHSA-N 1 2 229.320 1.173 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934026758 631604099 /nfs/dbraw/zinc/60/40/99/631604099.db2.gz HIISINSZCCHNQA-CYBMUJFWSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934026758 631604101 /nfs/dbraw/zinc/60/41/01/631604101.db2.gz HIISINSZCCHNQA-CYBMUJFWSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccc(F)cc1F ZINC000934017538 631614031 /nfs/dbraw/zinc/61/40/31/631614031.db2.gz RUCUBCSSDBGZBU-SNVBAGLBSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccc(F)cc1F ZINC000934017538 631614035 /nfs/dbraw/zinc/61/40/35/631614035.db2.gz RUCUBCSSDBGZBU-SNVBAGLBSA-N 1 2 213.227 1.531 20 0 BDADLO COc1c(C)cnc(C[N@@H+]2CC[C@H]2CO)c1C ZINC000934023962 631623731 /nfs/dbraw/zinc/62/37/31/631623731.db2.gz NRMNNKKMYCQOPX-NSHDSACASA-N 1 2 236.315 1.274 20 0 BDADLO COc1c(C)cnc(C[N@H+]2CC[C@H]2CO)c1C ZINC000934023962 631623735 /nfs/dbraw/zinc/62/37/35/631623735.db2.gz NRMNNKKMYCQOPX-NSHDSACASA-N 1 2 236.315 1.274 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934030043 631628800 /nfs/dbraw/zinc/62/88/00/631628800.db2.gz WZPYWBBXDBPTSG-ZDUSSCGKSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934030043 631628806 /nfs/dbraw/zinc/62/88/06/631628806.db2.gz WZPYWBBXDBPTSG-ZDUSSCGKSA-N 1 2 244.294 1.908 20 0 BDADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]2CO)c1 ZINC000934031247 631631032 /nfs/dbraw/zinc/63/10/32/631631032.db2.gz PJJNUWOZVDJWID-WCQYABFASA-N 1 2 248.326 1.389 20 0 BDADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]2CO)c1 ZINC000934031247 631631036 /nfs/dbraw/zinc/63/10/36/631631036.db2.gz PJJNUWOZVDJWID-WCQYABFASA-N 1 2 248.326 1.389 20 0 BDADLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]2CO)c1 ZINC000934031243 631631116 /nfs/dbraw/zinc/63/11/16/631631116.db2.gz PJJNUWOZVDJWID-AAEUAGOBSA-N 1 2 248.326 1.389 20 0 BDADLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]2CO)c1 ZINC000934031243 631631117 /nfs/dbraw/zinc/63/11/17/631631117.db2.gz PJJNUWOZVDJWID-AAEUAGOBSA-N 1 2 248.326 1.389 20 0 BDADLO COC(=O)C[C@H]([NH2+]Cc1ccn[nH]1)C(C)(C)C ZINC000934033629 631633005 /nfs/dbraw/zinc/63/30/05/631633005.db2.gz NEURVYFEVJQWKX-JTQLQIEISA-N 1 2 239.319 1.477 20 0 BDADLO C[C@H]1C[N@H+](CN2CCOC2=S)CC(C)(C)O1 ZINC000065224275 631665380 /nfs/dbraw/zinc/66/53/80/631665380.db2.gz NUZXVGHMSHWHED-VIFPVBQESA-N 1 2 244.360 1.060 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCOC2=S)CC(C)(C)O1 ZINC000065224275 631665383 /nfs/dbraw/zinc/66/53/83/631665383.db2.gz NUZXVGHMSHWHED-VIFPVBQESA-N 1 2 244.360 1.060 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000308841736 631691567 /nfs/dbraw/zinc/69/15/67/631691567.db2.gz NORBJZSQRUQEBT-IONNQARKSA-N 1 2 206.245 1.363 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1cncs1 ZINC000934194520 631726227 /nfs/dbraw/zinc/72/62/27/631726227.db2.gz XVTWCYQYSUSCMP-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@]1(C)C=CCC1 ZINC000924407742 631739324 /nfs/dbraw/zinc/73/93/24/631739324.db2.gz KXOGOEOFMWRTEU-ZDUSSCGKSA-N 1 2 234.299 1.862 20 0 BDADLO c1n[nH]c2c1[C@@H]([NH2+][C@H]1CCOC1)CCC2 ZINC000308996228 631784408 /nfs/dbraw/zinc/78/44/08/631784408.db2.gz MROGHAXSQPWMCH-WPRPVWTQSA-N 1 2 207.277 1.166 20 0 BDADLO CCN(C(=O)c1cc(C)on1)C1C[NH+](CC)C1 ZINC000949639750 631862738 /nfs/dbraw/zinc/86/27/38/631862738.db2.gz IPQDLABXZHNCLX-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@]2(C)C2CC2)ncn1 ZINC000934478051 631870727 /nfs/dbraw/zinc/87/07/27/631870727.db2.gz IYQJCXAFNFFNJX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@]2(C)C2CC2)ncn1 ZINC000934478051 631870732 /nfs/dbraw/zinc/87/07/32/631870732.db2.gz IYQJCXAFNFFNJX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)cn1 ZINC000934478924 631871378 /nfs/dbraw/zinc/87/13/78/631871378.db2.gz OICZOFQSZPQWPV-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@]2(C)C2CC2)cn1 ZINC000934478924 631871383 /nfs/dbraw/zinc/87/13/83/631871383.db2.gz OICZOFQSZPQWPV-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@]2(C)C2CC2)on1 ZINC000934479414 631874150 /nfs/dbraw/zinc/87/41/50/631874150.db2.gz RVGHBZUDKNMQLW-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@]2(C)C2CC2)on1 ZINC000934479414 631874153 /nfs/dbraw/zinc/87/41/53/631874153.db2.gz RVGHBZUDKNMQLW-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CCC[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934774210 632066570 /nfs/dbraw/zinc/06/65/70/632066570.db2.gz WPGASPGBIRQEJO-JTQLQIEISA-N 1 2 247.298 1.454 20 0 BDADLO CCO[C@H](C(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000927776834 635745404 /nfs/dbraw/zinc/74/54/04/635745404.db2.gz DPWROOODNLACFK-LBPRGKRZSA-N 1 2 249.314 1.095 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000924971080 635818786 /nfs/dbraw/zinc/81/87/86/635818786.db2.gz AFLKPQOTZADZCF-SECBINFHSA-N 1 2 247.298 1.721 20 0 BDADLO CSC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280319442 632632850 /nfs/dbraw/zinc/63/28/50/632632850.db2.gz ZBNNKOOCSQBXTR-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CSC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280319442 632632858 /nfs/dbraw/zinc/63/28/58/632632858.db2.gz ZBNNKOOCSQBXTR-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CCc1nc(N2CC[C@@H](O)C2(C)C)cc(C)[nH+]1 ZINC000310134149 632702618 /nfs/dbraw/zinc/70/26/18/632702618.db2.gz BNBZHVOTMGNKJN-SNVBAGLBSA-N 1 2 235.331 1.697 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C(C)(C)C ZINC000179515691 632739786 /nfs/dbraw/zinc/73/97/86/632739786.db2.gz DHGUGRRJTJBPPF-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000310475996 632747070 /nfs/dbraw/zinc/74/70/70/632747070.db2.gz KEZXUXXWRCRRFP-BETUJISGSA-N 1 2 230.311 1.976 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)[nH]1 ZINC000926691966 632827576 /nfs/dbraw/zinc/82/75/76/632827576.db2.gz FOWUDRIKTYIEIG-GDGBQDQQSA-N 1 2 238.335 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[nH]1 ZINC000926694144 632829688 /nfs/dbraw/zinc/82/96/88/632829688.db2.gz QEBRANCPETZJFZ-AXFHLTTASA-N 1 2 248.330 1.395 20 0 BDADLO CC(C)/C=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000309253007 632843987 /nfs/dbraw/zinc/84/39/87/632843987.db2.gz FOWXKVRZEWYJIC-ONEGZZNKSA-N 1 2 220.272 1.919 20 0 BDADLO COCC[N@@H+](C)Cn1cc(Br)cn1 ZINC000066370898 632896264 /nfs/dbraw/zinc/89/62/64/632896264.db2.gz VGGZQWPSDVLKNB-UHFFFAOYSA-N 1 2 248.124 1.181 20 0 BDADLO COCC[N@H+](C)Cn1cc(Br)cn1 ZINC000066370898 632896261 /nfs/dbraw/zinc/89/62/61/632896261.db2.gz VGGZQWPSDVLKNB-UHFFFAOYSA-N 1 2 248.124 1.181 20 0 BDADLO C[C@@H]([NH2+]Cc1ccsc1)c1nnnn1C1CC1 ZINC000190520817 632993153 /nfs/dbraw/zinc/99/31/53/632993153.db2.gz YLHXJMYYSDZDFV-MRVPVSSYSA-N 1 2 249.343 1.920 20 0 BDADLO CNc1cc(N[C@@H]2CCCSC2)nc[nH+]1 ZINC000122169466 633071568 /nfs/dbraw/zinc/07/15/68/633071568.db2.gz MXOVBNJFORVFPJ-MRVPVSSYSA-N 1 2 224.333 1.826 20 0 BDADLO CNc1cc(N[C@@H]2CCCSC2)[nH+]cn1 ZINC000122169466 633071577 /nfs/dbraw/zinc/07/15/77/633071577.db2.gz MXOVBNJFORVFPJ-MRVPVSSYSA-N 1 2 224.333 1.826 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)COC ZINC000309526410 633189082 /nfs/dbraw/zinc/18/90/82/633189082.db2.gz BFXRXMBONQDLOG-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO CCc1cc(N2CCC(C)(O)CC2)nc(CC)[nH+]1 ZINC000892911362 633243208 /nfs/dbraw/zinc/24/32/08/633243208.db2.gz OTQSUULNHLFJER-UHFFFAOYSA-N 1 2 249.358 1.953 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000307114130 635983419 /nfs/dbraw/zinc/98/34/19/635983419.db2.gz SKPSGHGGFJTMLF-RQJHMYQMSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000307114130 635983424 /nfs/dbraw/zinc/98/34/24/635983424.db2.gz SKPSGHGGFJTMLF-RQJHMYQMSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000307114129 635983535 /nfs/dbraw/zinc/98/35/35/635983535.db2.gz SKPSGHGGFJTMLF-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000307114129 635983541 /nfs/dbraw/zinc/98/35/41/635983541.db2.gz SKPSGHGGFJTMLF-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)nn1 ZINC000307313594 635984418 /nfs/dbraw/zinc/98/44/18/635984418.db2.gz GZHSBKWOUPFPCP-IONNQARKSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)nn1 ZINC000307313594 635984421 /nfs/dbraw/zinc/98/44/21/635984421.db2.gz GZHSBKWOUPFPCP-IONNQARKSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2ncsc2=S)C1 ZINC000307749751 635995338 /nfs/dbraw/zinc/99/53/38/635995338.db2.gz HUQXNYDYBKKKDX-SSDOTTSWSA-N 1 2 215.347 1.973 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2ncsc2=S)C1 ZINC000307749751 635995339 /nfs/dbraw/zinc/99/53/39/635995339.db2.gz HUQXNYDYBKKKDX-SSDOTTSWSA-N 1 2 215.347 1.973 20 0 BDADLO C[C@H](CC#N)[NH2+]Cc1cccc2c1OCCO2 ZINC000067406917 636045520 /nfs/dbraw/zinc/04/55/20/636045520.db2.gz ZHZUWCSVXQXPSG-SNVBAGLBSA-N 1 2 232.283 1.850 20 0 BDADLO Cc1ccncc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895118476 636064912 /nfs/dbraw/zinc/06/49/12/636064912.db2.gz JFFVJRWGVQGSEO-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccncc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895118476 636064913 /nfs/dbraw/zinc/06/49/13/636064913.db2.gz JFFVJRWGVQGSEO-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@@H](CO)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000893012019 633812553 /nfs/dbraw/zinc/81/25/53/633812553.db2.gz ZSMCQHPELBJEPZ-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO C[C@@H](CO)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000893012019 633812554 /nfs/dbraw/zinc/81/25/54/633812554.db2.gz ZSMCQHPELBJEPZ-SNVBAGLBSA-N 1 2 238.335 1.363 20 0 BDADLO c1csc(NCCCn2cc[nH+]c2)n1 ZINC000020305691 633813589 /nfs/dbraw/zinc/81/35/89/633813589.db2.gz VSJGUAMZQLBPIN-UHFFFAOYSA-N 1 2 208.290 1.842 20 0 BDADLO OC[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000930489710 633848530 /nfs/dbraw/zinc/84/85/30/633848530.db2.gz MCDHHRFOCWRMEK-VIFPVBQESA-N 1 2 227.691 1.009 20 0 BDADLO OC[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000930489710 633848531 /nfs/dbraw/zinc/84/85/31/633848531.db2.gz MCDHHRFOCWRMEK-VIFPVBQESA-N 1 2 227.691 1.009 20 0 BDADLO COC[C@H](C)[NH2+][C@H](CC(C)C)C(=O)OC ZINC000053173416 633876894 /nfs/dbraw/zinc/87/68/94/633876894.db2.gz BHURIQWYJKNKRO-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)c1ncc[nH]1)C(F)(F)F ZINC000309414890 633915148 /nfs/dbraw/zinc/91/51/48/633915148.db2.gz CKAMVLIVMWLHAM-BQBZGAKWSA-N 1 2 237.225 1.638 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC000930609791 633933467 /nfs/dbraw/zinc/93/34/67/633933467.db2.gz LUNXLFLAIAMUKV-SSDOTTSWSA-N 1 2 215.347 1.475 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000930609791 633933471 /nfs/dbraw/zinc/93/34/71/633933471.db2.gz LUNXLFLAIAMUKV-SSDOTTSWSA-N 1 2 215.347 1.475 20 0 BDADLO Cc1nn(C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000183265487 633972931 /nfs/dbraw/zinc/97/29/31/633972931.db2.gz DURLGGUBCNLDSG-UHFFFAOYSA-N 1 2 210.237 1.153 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1C ZINC000895477496 636150320 /nfs/dbraw/zinc/15/03/20/636150320.db2.gz KWRSGEGDFFYACH-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705398 634051688 /nfs/dbraw/zinc/05/16/88/634051688.db2.gz QMWHILCYILOTQR-PELKAZGASA-N 1 2 241.718 1.397 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000930705398 634051697 /nfs/dbraw/zinc/05/16/97/634051697.db2.gz QMWHILCYILOTQR-PELKAZGASA-N 1 2 241.718 1.397 20 0 BDADLO C[C@H](CO)C1CC[NH+](Cc2nncs2)CC1 ZINC000930856731 634137426 /nfs/dbraw/zinc/13/74/26/634137426.db2.gz ZSZPSGPVSMTOQY-SECBINFHSA-N 1 2 241.360 1.379 20 0 BDADLO CCONC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000776210807 634227036 /nfs/dbraw/zinc/22/70/36/634227036.db2.gz UHRFGYHGVVSPBE-SNVBAGLBSA-N 1 2 238.291 1.181 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001027709092 635122656 /nfs/dbraw/zinc/12/26/56/635122656.db2.gz ACXFRCZRHCHTBF-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001027709092 635122659 /nfs/dbraw/zinc/12/26/59/635122659.db2.gz ACXFRCZRHCHTBF-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CCO[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000909403152 635124311 /nfs/dbraw/zinc/12/43/11/635124311.db2.gz OTFCOOGPDYALOC-GHMZBOCLSA-N 1 2 237.303 1.026 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)co1)C1CC(O)C1 ZINC000893580880 635183801 /nfs/dbraw/zinc/18/38/01/635183801.db2.gz WCLNMZZXRZBRAI-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)co1)C1CC(O)C1 ZINC000893580880 635183809 /nfs/dbraw/zinc/18/38/09/635183809.db2.gz WCLNMZZXRZBRAI-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)c2ccccc2)no1 ZINC000235931958 635591913 /nfs/dbraw/zinc/59/19/13/635591913.db2.gz UFODQDAXRVXYAR-NSHDSACASA-N 1 2 233.271 1.201 20 0 BDADLO C[C@@H]1[C@H](CO)CCCN1c1nccn2c[nH+]cc12 ZINC000894224089 635757660 /nfs/dbraw/zinc/75/76/60/635757660.db2.gz VHABYSYACWZIFA-MNOVXSKESA-N 1 2 246.314 1.327 20 0 BDADLO COCC[N@H+](C)Cn1cc(Cl)cn1 ZINC000126952455 636121474 /nfs/dbraw/zinc/12/14/74/636121474.db2.gz VGVHLZOKVSLNNS-UHFFFAOYSA-N 1 2 203.673 1.072 20 0 BDADLO COCC[N@@H+](C)Cn1cc(Cl)cn1 ZINC000126952455 636121477 /nfs/dbraw/zinc/12/14/77/636121477.db2.gz VGVHLZOKVSLNNS-UHFFFAOYSA-N 1 2 203.673 1.072 20 0 BDADLO OC[C@H]1C[C@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000896689871 636215450 /nfs/dbraw/zinc/21/54/50/636215450.db2.gz JMSDWRWOROJQDV-XYPYZODXSA-N 1 2 248.330 1.481 20 0 BDADLO OC[C@H]1C[C@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000896689871 636215458 /nfs/dbraw/zinc/21/54/58/636215458.db2.gz JMSDWRWOROJQDV-XYPYZODXSA-N 1 2 248.330 1.481 20 0 BDADLO C/C=C(/C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000751375606 636278291 /nfs/dbraw/zinc/27/82/91/636278291.db2.gz CRXUECSHLNRHGU-KMKOMSMNSA-N 1 2 232.283 1.637 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000925293137 636741550 /nfs/dbraw/zinc/74/15/50/636741550.db2.gz KGINDLCULPBSOY-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000929118786 636810876 /nfs/dbraw/zinc/81/08/76/636810876.db2.gz RXYBGRYYNFRAJO-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000929118786 636810884 /nfs/dbraw/zinc/81/08/84/636810884.db2.gz RXYBGRYYNFRAJO-MNOVXSKESA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@](C)(CNc1cc(NC)nc[nH+]1)OC ZINC000323115352 636899049 /nfs/dbraw/zinc/89/90/49/636899049.db2.gz HBFCDSDHQMLMSI-LLVKDONJSA-N 1 2 224.308 1.745 20 0 BDADLO C[C@H]([NH2+]Cc1ccsc1)c1cnn(C)n1 ZINC000924664510 636982684 /nfs/dbraw/zinc/98/26/84/636982684.db2.gz COKFKKHGOTXYMO-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@@H]([NH2+]Cc1ccsc1)c1cnn(C)n1 ZINC000924664509 636982878 /nfs/dbraw/zinc/98/28/78/636982878.db2.gz COKFKKHGOTXYMO-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000041474552 636993576 /nfs/dbraw/zinc/99/35/76/636993576.db2.gz GZTVNWWDBZAPHO-UHFFFAOYSA-N 1 2 243.245 1.996 20 0 BDADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C=C1CCCC1 ZINC000898888439 637061517 /nfs/dbraw/zinc/06/15/17/637061517.db2.gz PANQOGPMWHEMAC-LLVKDONJSA-N 1 2 249.314 1.070 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1CC1(F)F)n1cc[nH+]c1 ZINC000898909218 637063851 /nfs/dbraw/zinc/06/38/51/637063851.db2.gz KTPLXIUUHYXMIE-QMMMGPOBSA-N 1 2 243.257 1.390 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000042251696 637100102 /nfs/dbraw/zinc/10/01/02/637100102.db2.gz CDJSWURMGKWEKE-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000042251696 637100106 /nfs/dbraw/zinc/10/01/06/637100106.db2.gz CDJSWURMGKWEKE-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO COc1ncc(C)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900918173 637205169 /nfs/dbraw/zinc/20/51/69/637205169.db2.gz GVCKKGPJJDSNQX-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901009654 637220688 /nfs/dbraw/zinc/22/06/88/637220688.db2.gz MEHKMNWTZVQPCX-JTQLQIEISA-N 1 2 221.304 1.457 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000162244606 637312871 /nfs/dbraw/zinc/31/28/71/637312871.db2.gz FIYIGOQTTGPNLW-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000903437734 637362704 /nfs/dbraw/zinc/36/27/04/637362704.db2.gz QFTGAIUMLZYMTL-ZEGGKSINSA-N 1 2 235.331 1.794 20 0 BDADLO Cc1cc(-c2cc[nH+]c(N(C)C)c2)cn(C)c1=O ZINC000904848739 637505361 /nfs/dbraw/zinc/50/53/61/637505361.db2.gz DXUKQMQZULQGEI-UHFFFAOYSA-N 1 2 243.310 1.822 20 0 BDADLO CCNc1cc(CNC(=O)N2CCCC2)cc[nH+]1 ZINC000905153797 637636380 /nfs/dbraw/zinc/63/63/80/637636380.db2.gz RTAPUGLNGSLCDV-UHFFFAOYSA-N 1 2 248.330 1.819 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]C[C@H](C)OC)C(=O)OC ZINC000905781417 637911026 /nfs/dbraw/zinc/91/10/26/637911026.db2.gz XDNCOTSOEUSSLE-KXUCPTDWSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)OC(C)(C)C ZINC000905867035 637952480 /nfs/dbraw/zinc/95/24/80/637952480.db2.gz MGWVLHSYULGQFO-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO COCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906350399 638149871 /nfs/dbraw/zinc/14/98/71/638149871.db2.gz DVFRKLOWVSWPJG-UHFFFAOYSA-N 1 2 236.315 1.725 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2CCCOC2)c(C)[nH+]1 ZINC000906596789 638222711 /nfs/dbraw/zinc/22/27/11/638222711.db2.gz IDEINSCPOUMJEP-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000906659901 638233243 /nfs/dbraw/zinc/23/32/43/638233243.db2.gz GPBDMRQGFICWOX-ZMLRMANQSA-N 1 2 234.299 1.421 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[C@](C)(O)C2)c(C)[nH+]1 ZINC000906903239 638267392 /nfs/dbraw/zinc/26/73/92/638267392.db2.gz XFAKDXKUNYRGIX-AWEZNQCLSA-N 1 2 248.326 1.604 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[C@@H](CO)C2)c(C)[nH+]1 ZINC000907145417 638312942 /nfs/dbraw/zinc/31/29/42/638312942.db2.gz RZAXCWJQUVUAMB-GFCCVEGCSA-N 1 2 248.326 1.461 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCCCS1 ZINC000907320339 638351766 /nfs/dbraw/zinc/35/17/66/638351766.db2.gz KWFWLZNQKJFOLM-JTQLQIEISA-N 1 2 239.344 1.354 20 0 BDADLO CCN(CCC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907381204 638377016 /nfs/dbraw/zinc/37/70/16/638377016.db2.gz VJQSWKDHFUOATO-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907422791 638379193 /nfs/dbraw/zinc/37/91/93/638379193.db2.gz SMEFFMPUBTYOAA-ZCFIWIBFSA-N 1 2 235.209 1.409 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC[C@H]1CCC=CO1 ZINC000907595873 638416870 /nfs/dbraw/zinc/41/68/70/638416870.db2.gz SPJIGVKTRCXKGW-LLVKDONJSA-N 1 2 247.298 1.302 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(CC1CC1)CC1CCC1 ZINC000907926082 638514910 /nfs/dbraw/zinc/51/49/10/638514910.db2.gz VDYAGQOBZJUYOW-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908133458 638578147 /nfs/dbraw/zinc/57/81/47/638578147.db2.gz CAGNJHUHTGIPGO-OTOXVQDCSA-N 1 2 239.706 1.457 20 0 BDADLO C[C@H](NC(=O)CNc1cccc[nH+]1)C(F)(F)F ZINC000908227139 638604258 /nfs/dbraw/zinc/60/42/58/638604258.db2.gz WPMCAWSIQKTHLQ-ZETCQYMHSA-N 1 2 247.220 1.561 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C2CC2)C1 ZINC000908237052 638622974 /nfs/dbraw/zinc/62/29/74/638622974.db2.gz IVSXHAIBWWSNEJ-NSHDSACASA-N 1 2 233.315 1.601 20 0 BDADLO C[C@@H](NC(=O)CNc1cccc[nH+]1)c1ncc[nH]1 ZINC000908340382 638657967 /nfs/dbraw/zinc/65/79/67/638657967.db2.gz RLQIPJKYNMIYMK-SECBINFHSA-N 1 2 245.286 1.094 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(C2CCCCC2)C1 ZINC000908447151 638719009 /nfs/dbraw/zinc/71/90/09/638719009.db2.gz YXKAXVDSQIWKCA-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@@H](C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)OC ZINC000908541902 639007516 /nfs/dbraw/zinc/00/75/16/639007516.db2.gz BTMXLSWGGJCFTH-MWLCHTKSSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCOC2)c(C)[nH+]1 ZINC000908704949 639056292 /nfs/dbraw/zinc/05/62/92/639056292.db2.gz FMTACQGEPLNOHH-UHFFFAOYSA-N 1 2 220.272 1.437 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000908979841 639107815 /nfs/dbraw/zinc/10/78/15/639107815.db2.gz YESNPOZHRUOZJC-PHIMTYICSA-N 1 2 233.315 1.601 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC(C)(CO)C2)c(C)[nH+]1 ZINC000909039176 639122536 /nfs/dbraw/zinc/12/25/36/639122536.db2.gz BJNFKYCJGGYQAI-UHFFFAOYSA-N 1 2 248.326 1.461 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000909047754 639130669 /nfs/dbraw/zinc/13/06/69/639130669.db2.gz UBUMCNQADKQHOB-GXTWGEPZSA-N 1 2 245.326 1.599 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc2c(n1)CCC2 ZINC000909275682 639192635 /nfs/dbraw/zinc/19/26/35/639192635.db2.gz IWOPOXOHKJGVIC-UHFFFAOYSA-N 1 2 242.282 1.475 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCSC[C@H]1C ZINC000246754739 639651263 /nfs/dbraw/zinc/65/12/63/639651263.db2.gz NMCWORJCSRFKMQ-ZJUUUORDSA-N 1 2 231.361 1.765 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCSC[C@H]1C ZINC000246754739 639651268 /nfs/dbraw/zinc/65/12/68/639651268.db2.gz NMCWORJCSRFKMQ-ZJUUUORDSA-N 1 2 231.361 1.765 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1cc(C)cc(C)[nH+]1 ZINC000930288303 639681142 /nfs/dbraw/zinc/68/11/42/639681142.db2.gz UIARHVZHMVCEDL-LLVKDONJSA-N 1 2 236.315 1.692 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000930363954 639733542 /nfs/dbraw/zinc/73/35/42/639733542.db2.gz CKDAZVZOYTZAGT-NXEZZACHSA-N 1 2 239.344 1.682 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000930363954 639733547 /nfs/dbraw/zinc/73/35/47/639733547.db2.gz CKDAZVZOYTZAGT-NXEZZACHSA-N 1 2 239.344 1.682 20 0 BDADLO CC[C@@H]1C[N@H+](CCOC2CC2)C[C@H](C)[S@]1=O ZINC000930458224 639762839 /nfs/dbraw/zinc/76/28/39/639762839.db2.gz MXNNHVMICRLUMM-KANYHAFZSA-N 1 2 245.388 1.397 20 0 BDADLO CC[C@@H]1C[N@@H+](CCOC2CC2)C[C@H](C)[S@]1=O ZINC000930458224 639762845 /nfs/dbraw/zinc/76/28/45/639762845.db2.gz MXNNHVMICRLUMM-KANYHAFZSA-N 1 2 245.388 1.397 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1Cc2ccncc2C1 ZINC000930462018 639765781 /nfs/dbraw/zinc/76/57/81/639765781.db2.gz CYLGAFXIEOVSKV-WCQYABFASA-N 1 2 246.310 1.596 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1Cc2ccncc2C1 ZINC000930462018 639765785 /nfs/dbraw/zinc/76/57/85/639765785.db2.gz CYLGAFXIEOVSKV-WCQYABFASA-N 1 2 246.310 1.596 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1c(F)cncc1F ZINC000930488996 639779330 /nfs/dbraw/zinc/77/93/30/639779330.db2.gz OBTZUXJKRIIVDU-SECBINFHSA-N 1 2 244.285 1.953 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1c(F)cncc1F ZINC000930488996 639779337 /nfs/dbraw/zinc/77/93/37/639779337.db2.gz OBTZUXJKRIIVDU-SECBINFHSA-N 1 2 244.285 1.953 20 0 BDADLO Fc1c[nH+]ccc1NCCCNc1ncccn1 ZINC000911778300 639798707 /nfs/dbraw/zinc/79/87/07/639798707.db2.gz QCLDMTHGFJCBKM-UHFFFAOYSA-N 1 2 247.277 1.347 20 0 BDADLO C[N@H+](CCOC1CC1)[C@@H]1CC(C)(C)OC1=O ZINC000930561548 639811316 /nfs/dbraw/zinc/81/13/16/639811316.db2.gz GWLVELQREITKCA-SNVBAGLBSA-N 1 2 227.304 1.191 20 0 BDADLO C[N@@H+](CCOC1CC1)[C@@H]1CC(C)(C)OC1=O ZINC000930561548 639811317 /nfs/dbraw/zinc/81/13/17/639811317.db2.gz GWLVELQREITKCA-SNVBAGLBSA-N 1 2 227.304 1.191 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nncs2)C[C@H]1C ZINC000930637719 639835856 /nfs/dbraw/zinc/83/58/56/639835856.db2.gz LWEUTIYETLWXQK-RKDXNWHRSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nncs2)C[C@H]1C ZINC000930637719 639835859 /nfs/dbraw/zinc/83/58/59/639835859.db2.gz LWEUTIYETLWXQK-RKDXNWHRSA-N 1 2 227.333 1.395 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCC(C)(F)F)C1 ZINC000930761766 639902048 /nfs/dbraw/zinc/90/20/48/639902048.db2.gz RITNGWCSTJOBMI-UHFFFAOYSA-N 1 2 234.290 1.934 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000930761766 639902061 /nfs/dbraw/zinc/90/20/61/639902061.db2.gz RITNGWCSTJOBMI-UHFFFAOYSA-N 1 2 234.290 1.934 20 0 BDADLO CC[C@@H](CO)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000930812874 639917045 /nfs/dbraw/zinc/91/70/45/639917045.db2.gz UKGZNBMGNWFGST-VIFPVBQESA-N 1 2 241.722 1.259 20 0 BDADLO CC[C@@H](CO)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000930812874 639917048 /nfs/dbraw/zinc/91/70/48/639917048.db2.gz UKGZNBMGNWFGST-VIFPVBQESA-N 1 2 241.722 1.259 20 0 BDADLO CC1(C)C[C@](C)([NH2+]CC[C@H]2CCCO2)C(=O)O1 ZINC000930871726 639961587 /nfs/dbraw/zinc/96/15/87/639961587.db2.gz FIAZJLYBSABULA-MFKMUULPSA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)(C)[C@@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930875579 639965744 /nfs/dbraw/zinc/96/57/44/639965744.db2.gz XYADEORFTIVHCM-TVQRCGJNSA-N 1 2 243.347 1.467 20 0 BDADLO CC(C)[C@@H](O)CC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930879784 639968130 /nfs/dbraw/zinc/96/81/30/639968130.db2.gz KPHPKYPEAOXCBL-GXFFZTMASA-N 1 2 243.347 1.467 20 0 BDADLO CC1CC(C[N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000930966593 640001674 /nfs/dbraw/zinc/00/16/74/640001674.db2.gz YYIPMYOWVUGGHC-RTBKNWGFSA-N 1 2 219.275 1.734 20 0 BDADLO CC1CC(C[N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000930966593 640001679 /nfs/dbraw/zinc/00/16/79/640001679.db2.gz YYIPMYOWVUGGHC-RTBKNWGFSA-N 1 2 219.275 1.734 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCOC2CC2)n1 ZINC000930889052 639974344 /nfs/dbraw/zinc/97/43/44/639974344.db2.gz GJBLLRXFZKIMJR-MRVPVSSYSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCOC2CC2)n1 ZINC000930889052 639974351 /nfs/dbraw/zinc/97/43/51/639974351.db2.gz GJBLLRXFZKIMJR-MRVPVSSYSA-N 1 2 225.292 1.550 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000930964455 639998076 /nfs/dbraw/zinc/99/80/76/639998076.db2.gz OHBIHAMHINVRBC-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000930964455 639998082 /nfs/dbraw/zinc/99/80/82/639998082.db2.gz OHBIHAMHINVRBC-KXUCPTDWSA-N 1 2 219.275 1.734 20 0 BDADLO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000930964967 639999957 /nfs/dbraw/zinc/99/99/57/639999957.db2.gz RODIBPVOARXINC-IONNQARKSA-N 1 2 205.248 1.487 20 0 BDADLO C[C@@H](C1CC1)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000930964967 639999959 /nfs/dbraw/zinc/99/99/59/639999959.db2.gz RODIBPVOARXINC-IONNQARKSA-N 1 2 205.248 1.487 20 0 BDADLO CCOC(=O)/C=C/C[NH2+][C@@H](C)c1cscn1 ZINC000930966392 640001795 /nfs/dbraw/zinc/00/17/95/640001795.db2.gz WLVDGIFIBXISIQ-MOVJSRMASA-N 1 2 240.328 1.913 20 0 BDADLO C[C@H](c1ncccn1)[N@H+](C)CC1=CCCOC1 ZINC000930996475 640015130 /nfs/dbraw/zinc/01/51/30/640015130.db2.gz CQESVDLBCOVRAO-LLVKDONJSA-N 1 2 233.315 1.816 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+](C)CC1=CCCOC1 ZINC000930996475 640015132 /nfs/dbraw/zinc/01/51/32/640015132.db2.gz CQESVDLBCOVRAO-LLVKDONJSA-N 1 2 233.315 1.816 20 0 BDADLO CSCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931138467 640073000 /nfs/dbraw/zinc/07/30/00/640073000.db2.gz ZMCFAHXPXXOZRU-QMMMGPOBSA-N 1 2 212.322 1.305 20 0 BDADLO CSCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931138467 640072999 /nfs/dbraw/zinc/07/29/99/640072999.db2.gz ZMCFAHXPXXOZRU-QMMMGPOBSA-N 1 2 212.322 1.305 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000931181138 640093375 /nfs/dbraw/zinc/09/33/75/640093375.db2.gz VAGGKQNDQQPPOI-NWDGAFQWSA-N 1 2 236.315 1.990 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000931181138 640093385 /nfs/dbraw/zinc/09/33/85/640093385.db2.gz VAGGKQNDQQPPOI-NWDGAFQWSA-N 1 2 236.315 1.990 20 0 BDADLO CCC(C)(C)CC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931234365 640107390 /nfs/dbraw/zinc/10/73/90/640107390.db2.gz UTMBHMBDCHNWDK-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO CCC(C)(C)CC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931234365 640107395 /nfs/dbraw/zinc/10/73/95/640107395.db2.gz UTMBHMBDCHNWDK-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1c(F)cncc1F ZINC000931258496 640119618 /nfs/dbraw/zinc/11/96/18/640119618.db2.gz WZMAEYVIPIBVPL-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1c(F)cncc1F ZINC000931258496 640119626 /nfs/dbraw/zinc/11/96/26/640119626.db2.gz WZMAEYVIPIBVPL-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912583003 640120919 /nfs/dbraw/zinc/12/09/19/640120919.db2.gz AGQXZYGZWNROBH-PKZYVASSSA-N 1 2 249.314 1.115 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]2C(F)F)CCO1 ZINC000931426407 640195977 /nfs/dbraw/zinc/19/59/77/640195977.db2.gz IIAFOZARGPOSOZ-IWSPIJDZSA-N 1 2 205.248 1.893 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]2C(F)F)CCO1 ZINC000931426407 640195981 /nfs/dbraw/zinc/19/59/81/640195981.db2.gz IIAFOZARGPOSOZ-IWSPIJDZSA-N 1 2 205.248 1.893 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)Cc2c[nH]nc21 ZINC000931451503 640210597 /nfs/dbraw/zinc/21/05/97/640210597.db2.gz BZUVCEMEZHEWSB-QMMMGPOBSA-N 1 2 218.260 1.517 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)Cc2c[nH]nc21 ZINC000931451503 640210606 /nfs/dbraw/zinc/21/06/06/640210606.db2.gz BZUVCEMEZHEWSB-QMMMGPOBSA-N 1 2 218.260 1.517 20 0 BDADLO O=C(CNc1cccc[nH+]1)N(C1CC1)C1CC1 ZINC000913013743 640281605 /nfs/dbraw/zinc/28/16/05/640281605.db2.gz XZECSUOAKVKRNR-UHFFFAOYSA-N 1 2 231.299 1.647 20 0 BDADLO O=C(Nc1ccns1)[C@H]1CCn2cc[nH+]c2C1 ZINC000913057141 640295246 /nfs/dbraw/zinc/29/52/46/640295246.db2.gz IQYXPXQPSMULMT-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000913158513 640309997 /nfs/dbraw/zinc/30/99/97/640309997.db2.gz GVTDFOORLKRSHM-WDEREUQCSA-N 1 2 247.323 1.686 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC=CCC1 ZINC000913151119 640313401 /nfs/dbraw/zinc/31/34/01/640313401.db2.gz TVVYLJVLZGZCBQ-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC=CC12CCCC2 ZINC000913201432 640328422 /nfs/dbraw/zinc/32/84/22/640328422.db2.gz PJQPEBNKTXFNIV-UHFFFAOYSA-N 1 2 231.299 1.594 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)no1 ZINC000044424649 640330756 /nfs/dbraw/zinc/33/07/56/640330756.db2.gz GXDBIJCEMHMSTI-JTQLQIEISA-N 1 2 237.303 1.084 20 0 BDADLO Cn1ccc([C@H]2CCC[N@H+](Cc3cnon3)C2)n1 ZINC000932129426 640434808 /nfs/dbraw/zinc/43/48/08/640434808.db2.gz BCQFFRUFULFFEH-JTQLQIEISA-N 1 2 247.302 1.183 20 0 BDADLO Cn1ccc([C@H]2CCC[N@@H+](Cc3cnon3)C2)n1 ZINC000932129426 640434819 /nfs/dbraw/zinc/43/48/19/640434819.db2.gz BCQFFRUFULFFEH-JTQLQIEISA-N 1 2 247.302 1.183 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932337694 640482098 /nfs/dbraw/zinc/48/20/98/640482098.db2.gz ZSBVPCGWBFEUAT-BDAKNGLRSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCO[C@H](C)CC2)[nH]1 ZINC000932337694 640482102 /nfs/dbraw/zinc/48/21/02/640482102.db2.gz ZSBVPCGWBFEUAT-BDAKNGLRSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC000932348906 640492141 /nfs/dbraw/zinc/49/21/41/640492141.db2.gz UVJLCCAJYDAFJH-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@@H](C)CC2)n1 ZINC000932348906 640492143 /nfs/dbraw/zinc/49/21/43/640492143.db2.gz UVJLCCAJYDAFJH-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CCCNc1cc(N2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000156761093 640496769 /nfs/dbraw/zinc/49/67/69/640496769.db2.gz LHVBKFGATUFDKT-PHIMTYICSA-N 1 2 248.330 1.666 20 0 BDADLO CCCNc1cc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]cn1 ZINC000156761093 640496773 /nfs/dbraw/zinc/49/67/73/640496773.db2.gz LHVBKFGATUFDKT-PHIMTYICSA-N 1 2 248.330 1.666 20 0 BDADLO CO[C@H](C)C[NH+]1CC(NC(=O)C2CCCC2)C1 ZINC001030047140 640542360 /nfs/dbraw/zinc/54/23/60/640542360.db2.gz KBSWWGSXHJWOIS-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+](CCC(N)=O)Cc1c(F)cncc1F ZINC000932478189 640545832 /nfs/dbraw/zinc/54/58/32/640545832.db2.gz ZJVCELYPAIYREW-UHFFFAOYSA-N 1 2 243.257 1.057 20 0 BDADLO CC[N@@H+](CCC(N)=O)Cc1c(F)cncc1F ZINC000932478189 640545839 /nfs/dbraw/zinc/54/58/39/640545839.db2.gz ZJVCELYPAIYREW-UHFFFAOYSA-N 1 2 243.257 1.057 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)no1 ZINC000932487816 640550880 /nfs/dbraw/zinc/55/08/80/640550880.db2.gz CSLWHIMMRCYGEY-ACLDMZEESA-N 1 2 211.265 1.064 20 0 BDADLO C[C@@H]1COC[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000932487877 640552755 /nfs/dbraw/zinc/55/27/55/640552755.db2.gz DDKDUJSPPGKNBE-PHDIDXHHSA-N 1 2 233.218 1.132 20 0 BDADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000932488186 640553866 /nfs/dbraw/zinc/55/38/66/640553866.db2.gz KNJXNGCRBGXPJL-SCZZXKLOSA-N 1 2 237.303 1.462 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001030075185 640577337 /nfs/dbraw/zinc/57/73/37/640577337.db2.gz RQEBWFZXYNSYDF-RISCZKNCSA-N 1 2 244.338 1.643 20 0 BDADLO CC1(C[N@@H+]2CCn3nc(C4CC4)cc3C2)COC1 ZINC000932601695 640583283 /nfs/dbraw/zinc/58/32/83/640583283.db2.gz AGFRRIPJQDNOMF-UHFFFAOYSA-N 1 2 247.342 1.613 20 0 BDADLO CC1(C[N@H+]2CCn3nc(C4CC4)cc3C2)COC1 ZINC000932601695 640583292 /nfs/dbraw/zinc/58/32/92/640583292.db2.gz AGFRRIPJQDNOMF-UHFFFAOYSA-N 1 2 247.342 1.613 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602870 640584175 /nfs/dbraw/zinc/58/41/75/640584175.db2.gz LDFQHOSWMFXMPJ-JTQLQIEISA-N 1 2 235.331 1.611 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602870 640584180 /nfs/dbraw/zinc/58/41/80/640584180.db2.gz LDFQHOSWMFXMPJ-JTQLQIEISA-N 1 2 235.331 1.611 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001030100369 640593470 /nfs/dbraw/zinc/59/34/70/640593470.db2.gz ABXBCBHBXKGPJQ-UHFFFAOYSA-N 1 2 227.695 1.102 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2scnc2C)C1 ZINC001030129071 640623022 /nfs/dbraw/zinc/62/30/22/640623022.db2.gz JWHGOWSNCOKVDT-UHFFFAOYSA-N 1 2 239.344 1.276 20 0 BDADLO Cc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1Cl ZINC000057955339 640652688 /nfs/dbraw/zinc/65/26/88/640652688.db2.gz KRAJYZSMRKYHNI-SECBINFHSA-N 1 2 238.674 1.239 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cnc[nH]2)[C@H](C)C1 ZINC000933166859 640670650 /nfs/dbraw/zinc/67/06/50/640670650.db2.gz WSELHQPICPRGIK-NXEZZACHSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cnc[nH]2)[C@H](C)C1 ZINC000933166859 640670656 /nfs/dbraw/zinc/67/06/56/640670656.db2.gz WSELHQPICPRGIK-NXEZZACHSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2c[nH]cn2)[C@H](C)C1 ZINC000933166859 640670661 /nfs/dbraw/zinc/67/06/61/640670661.db2.gz WSELHQPICPRGIK-NXEZZACHSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH]cn2)[C@H](C)C1 ZINC000933166859 640670666 /nfs/dbraw/zinc/67/06/66/640670666.db2.gz WSELHQPICPRGIK-NXEZZACHSA-N 1 2 237.303 1.183 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2cc[nH]c2C)C1 ZINC001030197765 640672577 /nfs/dbraw/zinc/67/25/77/640672577.db2.gz ALPBPDRURTWCDQ-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO C[C@@H](CNC(=O)[C@]1(C)C=CCC1)Cn1cc[nH+]c1 ZINC000933299362 640702178 /nfs/dbraw/zinc/70/21/78/640702178.db2.gz RYQHPEYPFOOPNT-GXTWGEPZSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1cc[nH]c1C(=O)NC1C[NH+](CCCF)C1 ZINC001030268843 640721100 /nfs/dbraw/zinc/72/11/00/640721100.db2.gz XANVGHFXQSEGAS-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO c1ncc(C[NH2+][C@H]2COCc3ccccc32)[nH]1 ZINC000226003122 640722091 /nfs/dbraw/zinc/72/20/91/640722091.db2.gz QFHDTYVLHCTNRW-ZDUSSCGKSA-N 1 2 229.283 1.771 20 0 BDADLO c1cn(Cc2cccc3c2OCCO3)c[nH+]1 ZINC000058906883 640758313 /nfs/dbraw/zinc/75/83/13/640758313.db2.gz AMGJCQRUYIQIDS-UHFFFAOYSA-N 1 2 216.240 1.703 20 0 BDADLO COC(=O)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933869891 640776277 /nfs/dbraw/zinc/77/62/77/640776277.db2.gz GPQFSHMLHUGHGU-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226592466 640779413 /nfs/dbraw/zinc/77/94/13/640779413.db2.gz HFHFJCABGKOHIK-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933895802 640782056 /nfs/dbraw/zinc/78/20/56/640782056.db2.gz RSVSCTPKSMFZPJ-LLVKDONJSA-N 1 2 237.303 1.055 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933895802 640782062 /nfs/dbraw/zinc/78/20/62/640782062.db2.gz RSVSCTPKSMFZPJ-LLVKDONJSA-N 1 2 237.303 1.055 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001030351337 640783465 /nfs/dbraw/zinc/78/34/65/640783465.db2.gz YLLVLIUGTXOYCW-UHFFFAOYSA-N 1 2 222.332 1.553 20 0 BDADLO CCc1cccc(C(=O)NC2C[NH+](CC)C2)n1 ZINC001030451599 640866020 /nfs/dbraw/zinc/86/60/20/640866020.db2.gz OSTORUQVJUDQID-UHFFFAOYSA-N 1 2 233.315 1.078 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)C1(C2CC2)CC1 ZINC001030489250 640877885 /nfs/dbraw/zinc/87/78/85/640877885.db2.gz FSWQMSVYCVMVIM-UHFFFAOYSA-N 1 2 240.322 1.337 20 0 BDADLO Cc1noc(C(=O)NC2C[NH+](CC3CC3)C2)c1C ZINC001030496440 640882695 /nfs/dbraw/zinc/88/26/95/640882695.db2.gz FQVWMUXDUQGGPC-UHFFFAOYSA-N 1 2 249.314 1.115 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001030513636 640891254 /nfs/dbraw/zinc/89/12/54/640891254.db2.gz OSGVICFQVXEZAG-LBPRGKRZSA-N 1 2 236.359 1.943 20 0 BDADLO CC[NH+]1CC(NC(=O)C23CCC(CC2)C3)C1 ZINC001030535980 640901246 /nfs/dbraw/zinc/90/12/46/640901246.db2.gz AHTMUXXIFRTPKD-UHFFFAOYSA-N 1 2 222.332 1.387 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC001030563948 640917925 /nfs/dbraw/zinc/91/79/25/640917925.db2.gz ZPWDVXINRXBPCF-MVWJERBFSA-N 1 2 222.332 1.243 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc[nH]1)c1cncs1 ZINC000229129876 640925632 /nfs/dbraw/zinc/92/56/32/640925632.db2.gz VLEVDHOWZAWQSW-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO C[C@H]([NH2+]Cc1cnc[nH]1)c1cncs1 ZINC000229129882 640926041 /nfs/dbraw/zinc/92/60/41/640926041.db2.gz VLEVDHOWZAWQSW-ZETCQYMHSA-N 1 2 208.290 1.717 20 0 BDADLO CCCNc1cc(NCCOCC)nc[nH+]1 ZINC000087819362 641056832 /nfs/dbraw/zinc/05/68/32/641056832.db2.gz LFAFCRVYYVNDKG-UHFFFAOYSA-N 1 2 224.308 1.747 20 0 BDADLO CCCNc1cc(NCCOCC)[nH+]cn1 ZINC000087819362 641056833 /nfs/dbraw/zinc/05/68/33/641056833.db2.gz LFAFCRVYYVNDKG-UHFFFAOYSA-N 1 2 224.308 1.747 20 0 BDADLO CNc1cc(N2CCCO[C@H](C)C2)nc[nH+]1 ZINC000087828812 641058318 /nfs/dbraw/zinc/05/83/18/641058318.db2.gz YIJMGNACXUSVMC-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N2CCCO[C@H](C)C2)[nH+]cn1 ZINC000087828812 641058320 /nfs/dbraw/zinc/05/83/20/641058320.db2.gz YIJMGNACXUSVMC-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc[nH+]1 ZINC000087839134 641068894 /nfs/dbraw/zinc/06/88/94/641068894.db2.gz YZTZMBDTNGDOCS-HLTSFMKQSA-N 1 2 220.276 1.250 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]cn1 ZINC000087839134 641068899 /nfs/dbraw/zinc/06/88/99/641068899.db2.gz YZTZMBDTNGDOCS-HLTSFMKQSA-N 1 2 220.276 1.250 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934110314 641073964 /nfs/dbraw/zinc/07/39/64/641073964.db2.gz YLMSXNUXSKEIEL-NEPJUHHUSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)n1 ZINC000934110314 641073972 /nfs/dbraw/zinc/07/39/72/641073972.db2.gz YLMSXNUXSKEIEL-NEPJUHHUSA-N 1 2 238.335 1.216 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nccn1C ZINC000934112896 641076389 /nfs/dbraw/zinc/07/63/89/641076389.db2.gz WSWBIJAGJFRZNR-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nccn1C ZINC000934112896 641076394 /nfs/dbraw/zinc/07/63/94/641076394.db2.gz WSWBIJAGJFRZNR-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@]1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000934139594 641091092 /nfs/dbraw/zinc/09/10/92/641091092.db2.gz IQMKCYMTPCNOPV-ZDUSSCGKSA-N 1 2 245.282 1.160 20 0 BDADLO COc1ccc[nH+]c1NCCc1ccnn1C ZINC000230790197 641095845 /nfs/dbraw/zinc/09/58/45/641095845.db2.gz WVGQTCZVIUTSGN-UHFFFAOYSA-N 1 2 232.287 1.478 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934234380 641111309 /nfs/dbraw/zinc/11/13/09/641111309.db2.gz LRDUMRFUVVHVEV-MNOVXSKESA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)Cc1cccnc1)C1CC1 ZINC000934235541 641111771 /nfs/dbraw/zinc/11/17/71/641111771.db2.gz WTVAKQLYQWCTIO-ZWNOBZJWSA-N 1 2 248.326 1.554 20 0 BDADLO Cc1[nH]nc2c1CCCN2Cc1c[nH+]cn1C ZINC000934314285 641124949 /nfs/dbraw/zinc/12/49/49/641124949.db2.gz VCKCXXSSKNKYLV-UHFFFAOYSA-N 1 2 231.303 1.404 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2C)c1C ZINC000050449151 641152856 /nfs/dbraw/zinc/15/28/56/641152856.db2.gz CWYOLJQISCJMKZ-GZMMTYOYSA-N 1 2 248.326 1.979 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CO)C(=O)OC(C)(C)C ZINC000231308360 641154457 /nfs/dbraw/zinc/15/44/57/641154457.db2.gz YUNWQVFWPLEKJP-GMTAPVOTSA-N 1 2 243.347 1.467 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC000932970617 641167556 /nfs/dbraw/zinc/16/75/56/641167556.db2.gz IOCJWXXDVYMHSE-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC000932970617 641167563 /nfs/dbraw/zinc/16/75/63/641167563.db2.gz IOCJWXXDVYMHSE-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934565977 641196192 /nfs/dbraw/zinc/19/61/92/641196192.db2.gz JGKLPIJDUUWDIL-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccncc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934565977 641196196 /nfs/dbraw/zinc/19/61/96/641196196.db2.gz JGKLPIJDUUWDIL-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO COC[C@H]([NH3+])c1nc(Cc2cccs2)no1 ZINC000088001132 641225812 /nfs/dbraw/zinc/22/58/12/641225812.db2.gz GHXCJALGINRUBO-QMMMGPOBSA-N 1 2 239.300 1.368 20 0 BDADLO C[C@@H](CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934818405 641277033 /nfs/dbraw/zinc/27/70/33/641277033.db2.gz AGWOAVUBZXRTGU-QMMMGPOBSA-N 1 2 233.271 1.064 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000935034140 641322692 /nfs/dbraw/zinc/32/26/92/641322692.db2.gz PZYJJSZYHRDRLH-MWLCHTKSSA-N 1 2 249.314 1.429 20 0 BDADLO CC(C)[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935180319 641357976 /nfs/dbraw/zinc/35/79/76/641357976.db2.gz MVRUZDMHXMDDPY-GFCCVEGCSA-N 1 2 247.298 1.310 20 0 BDADLO Cc1coc(C(=O)NC2C[NH+](CCCF)C2)c1 ZINC001030816344 641366679 /nfs/dbraw/zinc/36/66/79/641366679.db2.gz SIYFYZDDNUYRCK-UHFFFAOYSA-N 1 2 240.278 1.362 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001030873875 641393510 /nfs/dbraw/zinc/39/35/10/641393510.db2.gz XKUHUMLLNUCEPU-ZYHUDNBSSA-N 1 2 224.348 1.633 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030911561 641417957 /nfs/dbraw/zinc/41/79/57/641417957.db2.gz SHMNSXOTPXPRON-PWSUYJOCSA-N 1 2 224.348 1.633 20 0 BDADLO C[C@H]1C[C@@H](O)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935590569 641433245 /nfs/dbraw/zinc/43/32/45/641433245.db2.gz DDFZUKAMDSQXRU-WCBMZHEXSA-N 1 2 245.282 1.158 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@H]1CC=CCC1 ZINC000936023935 641520409 /nfs/dbraw/zinc/52/04/09/641520409.db2.gz BUTRHRBKTYKRJX-NSHDSACASA-N 1 2 233.315 1.783 20 0 BDADLO CCc1c(C(=O)NC2C[NH+](CC)C2)ccn1C ZINC001030958484 641524259 /nfs/dbraw/zinc/52/42/59/641524259.db2.gz LVBPSQBNVGWMBM-UHFFFAOYSA-N 1 2 235.331 1.021 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H]1CCCO1)C(C)(C)C ZINC000041121303 641542247 /nfs/dbraw/zinc/54/22/47/641542247.db2.gz IDKQZONBROUGJU-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]1CCN1C(=O)CNc1cccc[nH+]1 ZINC000914154201 641587587 /nfs/dbraw/zinc/58/75/87/641587587.db2.gz WXHDTGBCORIFLW-VIFPVBQESA-N 1 2 205.261 1.114 20 0 BDADLO CCOc1cccc(C(=O)NC2C[NH+](CC)C2)c1 ZINC001031013662 641594848 /nfs/dbraw/zinc/59/48/48/641594848.db2.gz LEXQUBAKHHQSQW-UHFFFAOYSA-N 1 2 248.326 1.519 20 0 BDADLO CCON(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000831454634 641596199 /nfs/dbraw/zinc/59/61/99/641596199.db2.gz OCZHWUGFDSYWQO-SNVBAGLBSA-N 1 2 237.303 1.246 20 0 BDADLO CCC[C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000914362892 641645758 /nfs/dbraw/zinc/64/57/58/641645758.db2.gz JTNJMSMUMDTYEM-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CC1(C)C[N@H+](Cc2ccoc2)C[C@@H](CO)O1 ZINC000158726893 641648661 /nfs/dbraw/zinc/64/86/61/641648661.db2.gz RLZMMMLPIGHXDP-NSHDSACASA-N 1 2 225.288 1.251 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccoc2)C[C@@H](CO)O1 ZINC000158726893 641648664 /nfs/dbraw/zinc/64/86/64/641648664.db2.gz RLZMMMLPIGHXDP-NSHDSACASA-N 1 2 225.288 1.251 20 0 BDADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000158830697 641652782 /nfs/dbraw/zinc/65/27/82/641652782.db2.gz LJGBPTUYKNOQCE-NXEZZACHSA-N 1 2 244.335 1.230 20 0 BDADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000158830697 641652788 /nfs/dbraw/zinc/65/27/88/641652788.db2.gz LJGBPTUYKNOQCE-NXEZZACHSA-N 1 2 244.335 1.230 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC(F)CC1 ZINC000914429015 641671852 /nfs/dbraw/zinc/67/18/52/641671852.db2.gz GSKAKAUCFQATPX-UHFFFAOYSA-N 1 2 237.278 1.454 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001031067986 641679331 /nfs/dbraw/zinc/67/93/31/641679331.db2.gz VCLYTOYUQCPVJN-JTQLQIEISA-N 1 2 236.315 1.512 20 0 BDADLO CCC[C@@H]([NH2+][C@H](CC)CO)C(=O)OCC ZINC000216249540 641711227 /nfs/dbraw/zinc/71/12/27/641711227.db2.gz AUROBELOXHBKAE-NXEZZACHSA-N 1 2 217.309 1.079 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000929843660 641753895 /nfs/dbraw/zinc/75/38/95/641753895.db2.gz NYMGMSKBLVCODA-RZABIFLQSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000929843660 641753901 /nfs/dbraw/zinc/75/39/01/641753901.db2.gz NYMGMSKBLVCODA-RZABIFLQSA-N 1 2 227.304 1.215 20 0 BDADLO Fc1ccc(C[NH2+]Cc2nccs2)cn1 ZINC000188997901 641782437 /nfs/dbraw/zinc/78/24/37/641782437.db2.gz QSHYJGIFKGBHOR-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2cnoc2C2CC2)C1 ZINC001031191470 641793868 /nfs/dbraw/zinc/79/38/68/641793868.db2.gz OSZHAGOFCTUAAE-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO CC(C)[C@H](C)[N@H+](C)Cn1nc2ccccn2c1=O ZINC000915208416 641809096 /nfs/dbraw/zinc/80/90/96/641809096.db2.gz LBRPOISBLMUXSC-NSHDSACASA-N 1 2 248.330 1.430 20 0 BDADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc2ccccn2c1=O ZINC000915208416 641809098 /nfs/dbraw/zinc/80/90/98/641809098.db2.gz LBRPOISBLMUXSC-NSHDSACASA-N 1 2 248.330 1.430 20 0 BDADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc2ccccn2c1=O ZINC000915208414 641810136 /nfs/dbraw/zinc/81/01/36/641810136.db2.gz LBRPOISBLMUXSC-LLVKDONJSA-N 1 2 248.330 1.430 20 0 BDADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc2ccccn2c1=O ZINC000915208414 641810139 /nfs/dbraw/zinc/81/01/39/641810139.db2.gz LBRPOISBLMUXSC-LLVKDONJSA-N 1 2 248.330 1.430 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000076497824 641813461 /nfs/dbraw/zinc/81/34/61/641813461.db2.gz NWTNKRVZHGEDDB-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@H](OC)C1 ZINC000076497824 641813464 /nfs/dbraw/zinc/81/34/64/641813464.db2.gz NWTNKRVZHGEDDB-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](COCC)C(C)C ZINC000189815886 641820301 /nfs/dbraw/zinc/82/03/01/641820301.db2.gz OYZGCCLVIMFKEK-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000915796085 641859244 /nfs/dbraw/zinc/85/92/44/641859244.db2.gz VPHQQBOBSSLTRJ-UHFFFAOYSA-N 1 2 238.356 1.814 20 0 BDADLO CC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CC=CC1 ZINC001015653025 641860844 /nfs/dbraw/zinc/86/08/44/641860844.db2.gz GWNJEAWPBLVXEV-LLVKDONJSA-N 1 2 240.322 1.503 20 0 BDADLO CC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CC=CC1 ZINC001015653025 641860848 /nfs/dbraw/zinc/86/08/48/641860848.db2.gz GWNJEAWPBLVXEV-LLVKDONJSA-N 1 2 240.322 1.503 20 0 BDADLO CCO[C@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000788049781 641872160 /nfs/dbraw/zinc/87/21/60/641872160.db2.gz ITBLMFVTGBHAIR-SNVBAGLBSA-N 1 2 240.303 1.321 20 0 BDADLO CCc1ccoc1C(=O)N1CC[NH+](CC)CC1 ZINC000950062568 641885061 /nfs/dbraw/zinc/88/50/61/641885061.db2.gz YCWUFGDVTSBJFM-UHFFFAOYSA-N 1 2 236.315 1.620 20 0 BDADLO CC[NH+]1CC(NC(=O)C(C)(C)c2ccccc2)C1 ZINC001031365921 642015999 /nfs/dbraw/zinc/01/59/99/642015999.db2.gz WXBRQVKAEDNCLN-UHFFFAOYSA-N 1 2 246.354 1.785 20 0 BDADLO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ncco2)CC1=O ZINC000925452066 642198189 /nfs/dbraw/zinc/19/81/89/642198189.db2.gz GKNXYRVNLDDBBJ-UWVGGRQHSA-N 1 2 237.303 1.335 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933165153 642366236 /nfs/dbraw/zinc/36/62/36/642366236.db2.gz VMTBPYBAORQREX-MFKMUULPSA-N 1 2 239.315 1.383 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933165153 642366247 /nfs/dbraw/zinc/36/62/47/642366247.db2.gz VMTBPYBAORQREX-MFKMUULPSA-N 1 2 239.315 1.383 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1noc(C)n1)C2 ZINC000933261903 642427961 /nfs/dbraw/zinc/42/79/61/642427961.db2.gz JPBWTGGXTVGYDD-UHFFFAOYSA-N 1 2 247.302 1.153 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cnc(C)s1 ZINC000920207147 642449300 /nfs/dbraw/zinc/44/93/00/642449300.db2.gz ZHPVQQSTHNXDJU-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cnc(C)s1 ZINC000920207147 642449306 /nfs/dbraw/zinc/44/93/06/642449306.db2.gz ZHPVQQSTHNXDJU-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO C[C@H]([NH2+]CC1(CCO)CC1)C(=O)OC(C)(C)C ZINC000097818097 642635977 /nfs/dbraw/zinc/63/59/77/642635977.db2.gz IUSQHKSBTLXZKX-JTQLQIEISA-N 1 2 243.347 1.469 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+]C1(CO)CCCC1 ZINC000305239748 642649543 /nfs/dbraw/zinc/64/95/43/642649543.db2.gz QHCLMXXJLZYNQS-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO C[C@@H]1CC[N@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC000964597428 642759393 /nfs/dbraw/zinc/75/93/93/642759393.db2.gz KLWXBIMVZFTSLI-HTQZYQBOSA-N 1 2 238.253 1.048 20 0 BDADLO C[C@@H]1CC[N@@H+](CCF)C[C@H]1NC(=O)C(F)F ZINC000964597428 642759396 /nfs/dbraw/zinc/75/93/96/642759396.db2.gz KLWXBIMVZFTSLI-HTQZYQBOSA-N 1 2 238.253 1.048 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccco1 ZINC001009925956 642846259 /nfs/dbraw/zinc/84/62/59/642846259.db2.gz MOYBKKHVHBLWLB-VIFPVBQESA-N 1 2 226.251 1.053 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccco1 ZINC001009925956 642846260 /nfs/dbraw/zinc/84/62/60/642846260.db2.gz MOYBKKHVHBLWLB-VIFPVBQESA-N 1 2 226.251 1.053 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccc(C)c1 ZINC000069794877 642907547 /nfs/dbraw/zinc/90/75/47/642907547.db2.gz ABFIETFTMBVSOR-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OCC(C)C)[C@@H]1CCCO1 ZINC000182322338 642996176 /nfs/dbraw/zinc/99/61/76/642996176.db2.gz WSEJOEGOLUDKGI-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO C[N@@H+](Cc1ccccc1F)Cn1cnnc1 ZINC000182569003 643033607 /nfs/dbraw/zinc/03/36/07/643033607.db2.gz YSCGSIZTUBEBIM-UHFFFAOYSA-N 1 2 220.251 1.507 20 0 BDADLO C[N@H+](Cc1ccccc1F)Cn1cnnc1 ZINC000182569003 643033613 /nfs/dbraw/zinc/03/36/13/643033613.db2.gz YSCGSIZTUBEBIM-UHFFFAOYSA-N 1 2 220.251 1.507 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031911978 643044796 /nfs/dbraw/zinc/04/47/96/643044796.db2.gz NELXQBTWVAUGAQ-NSHDSACASA-N 1 2 242.338 1.440 20 0 BDADLO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCOC1=O ZINC000019876498 643051080 /nfs/dbraw/zinc/05/10/80/643051080.db2.gz GESKLIAWWQPVHI-GWCFXTLKSA-N 1 2 249.310 1.618 20 0 BDADLO C[C@@H](CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000063745039 643102144 /nfs/dbraw/zinc/10/21/44/643102144.db2.gz ZBNOJEKWNMRLEN-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCO[C@H](C)CC1 ZINC000932340441 643146963 /nfs/dbraw/zinc/14/69/63/643146963.db2.gz DSIKWNYABWIAGY-ZJUUUORDSA-N 1 2 236.319 1.231 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCO[C@H](C)CC1 ZINC000932340441 643146967 /nfs/dbraw/zinc/14/69/67/643146967.db2.gz DSIKWNYABWIAGY-ZJUUUORDSA-N 1 2 236.319 1.231 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932345773 643154665 /nfs/dbraw/zinc/15/46/65/643154665.db2.gz PSRZLTGFVPCLGI-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000932345773 643154668 /nfs/dbraw/zinc/15/46/68/643154668.db2.gz PSRZLTGFVPCLGI-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCO[C@@H](C)CC2)o1 ZINC000932345769 643155196 /nfs/dbraw/zinc/15/51/96/643155196.db2.gz PSACOQGNQYMBQE-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCO[C@@H](C)CC2)o1 ZINC000932345769 643155202 /nfs/dbraw/zinc/15/52/02/643155202.db2.gz PSACOQGNQYMBQE-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO O=C(Nc1ccns1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000889094434 643211605 /nfs/dbraw/zinc/21/16/05/643211605.db2.gz VAERPGWVLYBDLK-SSDOTTSWSA-N 1 2 249.299 1.086 20 0 BDADLO C/C=C/C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000082275502 643291421 /nfs/dbraw/zinc/29/14/21/643291421.db2.gz RRHRKLZUZVRHHX-NSCUHMNNSA-N 1 2 219.288 1.692 20 0 BDADLO CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC000082316535 643300835 /nfs/dbraw/zinc/30/08/35/643300835.db2.gz JUVUBHRFPIEING-UHFFFAOYSA-N 1 2 217.272 1.816 20 0 BDADLO CCOc1ccc(OC(=O)Cn2cc[nH+]c2)cc1 ZINC000072828458 643310960 /nfs/dbraw/zinc/31/09/60/643310960.db2.gz FNWHKIBSAUQQLJ-UHFFFAOYSA-N 1 2 246.266 1.887 20 0 BDADLO O=C(C=C1CCC1)NCCCCn1cc[nH+]c1 ZINC000087356590 643317565 /nfs/dbraw/zinc/31/75/65/643317565.db2.gz TVAUOOAKXLMMCB-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000082644535 643358686 /nfs/dbraw/zinc/35/86/86/643358686.db2.gz DEKDRPSSVWTWGF-LLVKDONJSA-N 1 2 219.288 1.278 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000082644535 643358691 /nfs/dbraw/zinc/35/86/91/643358691.db2.gz DEKDRPSSVWTWGF-LLVKDONJSA-N 1 2 219.288 1.278 20 0 BDADLO C[NH+](C)c1ccc(N[C@H]2C(=O)NCC2(C)C)cc1 ZINC000926026515 643388555 /nfs/dbraw/zinc/38/85/55/643388555.db2.gz JWKKRGVFMPDSLL-LBPRGKRZSA-N 1 2 247.342 1.689 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001032241687 643390369 /nfs/dbraw/zinc/39/03/69/643390369.db2.gz RRTBYUROMSRDPO-SRVKXCTJSA-N 1 2 240.322 1.430 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001032241687 643390372 /nfs/dbraw/zinc/39/03/72/643390372.db2.gz RRTBYUROMSRDPO-SRVKXCTJSA-N 1 2 240.322 1.430 20 0 BDADLO O=C(C1=COCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000734124484 643489779 /nfs/dbraw/zinc/48/97/79/643489779.db2.gz FNLHSHYSAJQMSL-UHFFFAOYSA-N 1 2 247.298 1.420 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H]2CO)o1 ZINC000050116694 643599033 /nfs/dbraw/zinc/59/90/33/643599033.db2.gz MSHQDNKCVDZAOU-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H]2CO)o1 ZINC000050116694 643599040 /nfs/dbraw/zinc/59/90/40/643599040.db2.gz MSHQDNKCVDZAOU-VIFPVBQESA-N 1 2 239.319 1.324 20 0 BDADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000970914937 643610889 /nfs/dbraw/zinc/61/08/89/643610889.db2.gz HNJKMZRVXGFRDZ-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000970914937 643610894 /nfs/dbraw/zinc/61/08/94/643610894.db2.gz HNJKMZRVXGFRDZ-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000970917146 643613694 /nfs/dbraw/zinc/61/36/94/643613694.db2.gz WSSRGDFGNDHSSQ-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000970917146 643613695 /nfs/dbraw/zinc/61/36/95/643613695.db2.gz WSSRGDFGNDHSSQ-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO FCCn1cc(C[NH2+]Cc2cscn2)cn1 ZINC000921628629 643632075 /nfs/dbraw/zinc/63/20/75/643632075.db2.gz POIWBKGKAVHLEV-UHFFFAOYSA-N 1 2 240.307 1.599 20 0 BDADLO CCc1nocc1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934362 643685631 /nfs/dbraw/zinc/68/56/31/643685631.db2.gz KSBLRDYBZYLZKD-UHFFFAOYSA-N 1 2 249.314 1.219 20 0 BDADLO CCc1nocc1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934362 643685635 /nfs/dbraw/zinc/68/56/35/643685635.db2.gz KSBLRDYBZYLZKD-UHFFFAOYSA-N 1 2 249.314 1.219 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(F)n1 ZINC000160583602 643692996 /nfs/dbraw/zinc/69/29/96/643692996.db2.gz XYPILVHEQDWMQZ-UHFFFAOYSA-N 1 2 248.261 1.836 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000354337714 643772617 /nfs/dbraw/zinc/77/26/17/643772617.db2.gz XWQGSVUPTZVNLT-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000354337714 643772621 /nfs/dbraw/zinc/77/26/21/643772621.db2.gz XWQGSVUPTZVNLT-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922224739 643908849 /nfs/dbraw/zinc/90/88/49/643908849.db2.gz NQFFMSMJZYYOGG-QMMMGPOBSA-N 1 2 208.261 1.753 20 0 BDADLO CC(C)OCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922328551 643970080 /nfs/dbraw/zinc/97/00/80/643970080.db2.gz QPDJQFHRHRTYIP-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO CCc1cc(C(=O)OCc2ccc[nH+]c2N)n[nH]1 ZINC000922331116 643973195 /nfs/dbraw/zinc/97/31/95/643973195.db2.gz YXGZEGMYXNPUPD-UHFFFAOYSA-N 1 2 246.270 1.306 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C[C@H]1CCCO1 ZINC000922347614 643978713 /nfs/dbraw/zinc/97/87/13/643978713.db2.gz SMKWZEJNPFRZMH-SNVBAGLBSA-N 1 2 236.271 1.276 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922362784 643979970 /nfs/dbraw/zinc/97/99/70/643979970.db2.gz DOARMXMXPDIGOK-VHSXEESVSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@H](C(=O)OCc1ccc(N)[nH+]c1)C(F)(F)F ZINC000922496879 644004334 /nfs/dbraw/zinc/00/43/34/644004334.db2.gz DVWWGHXFQVVXDA-ZCFIWIBFSA-N 1 2 248.204 1.905 20 0 BDADLO CC[C@H](C)[C@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922509229 644008186 /nfs/dbraw/zinc/00/81/86/644008186.db2.gz CKMRYPIZYKWWDU-KWQFWETISA-N 1 2 238.287 1.114 20 0 BDADLO CC[C@H](C)[C@@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922509227 644008231 /nfs/dbraw/zinc/00/82/31/644008231.db2.gz CKMRYPIZYKWWDU-GZMMTYOYSA-N 1 2 238.287 1.114 20 0 BDADLO COC[C@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922521124 644013073 /nfs/dbraw/zinc/01/30/73/644013073.db2.gz GTMRJFNRCXXEFC-SECBINFHSA-N 1 2 238.287 1.380 20 0 BDADLO CCC[C@@](C)(O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922545074 644019182 /nfs/dbraw/zinc/01/91/82/644019182.db2.gz ZKJWGHUACHAAQB-GFCCVEGCSA-N 1 2 238.287 1.258 20 0 BDADLO COCC(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922559760 644020336 /nfs/dbraw/zinc/02/03/36/644020336.db2.gz GXFSYUJHHIGGNL-UHFFFAOYSA-N 1 2 238.287 1.380 20 0 BDADLO CS[C@@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922561483 644020839 /nfs/dbraw/zinc/02/08/39/644020839.db2.gz BDXBQJSBRHFNMT-QMMMGPOBSA-N 1 2 240.328 1.849 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922583497 644034797 /nfs/dbraw/zinc/03/47/97/644034797.db2.gz UDRRAGBJTXFRNF-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO Cc1[nH]c(CNc2nncn2C2CC2)[nH+]c1C ZINC000922659039 644062640 /nfs/dbraw/zinc/06/26/40/644062640.db2.gz JYMYPKRHTRHLPT-UHFFFAOYSA-N 1 2 232.291 1.565 20 0 BDADLO Nc1[nH+]cccc1COC(=O)CCC(F)F ZINC000922687743 644066777 /nfs/dbraw/zinc/06/67/77/644066777.db2.gz SDMSZAISDIOCGG-UHFFFAOYSA-N 1 2 230.214 1.752 20 0 BDADLO Nc1ccc(COC(=O)/C=C\[C@@H]2CCOC2)c[nH+]1 ZINC000922777514 644092484 /nfs/dbraw/zinc/09/24/84/644092484.db2.gz UGMDVMOUZVKYON-WUWIAWFRSA-N 1 2 248.282 1.300 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOC1CCOCC1 ZINC000922933822 644191082 /nfs/dbraw/zinc/19/10/82/644191082.db2.gz ORZPBNPCFXXLFD-UHFFFAOYSA-N 1 2 239.319 1.003 20 0 BDADLO C[C@@H](C(=O)OCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000923061836 644252412 /nfs/dbraw/zinc/25/24/12/644252412.db2.gz YLSWZYWWKKOSLT-GHMZBOCLSA-N 1 2 238.287 1.241 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000194030908 644294119 /nfs/dbraw/zinc/29/41/19/644294119.db2.gz HEUDVGIXRSMDAE-RYUDHWBXSA-N 1 2 241.331 1.951 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000194030908 644294122 /nfs/dbraw/zinc/29/41/22/644294122.db2.gz HEUDVGIXRSMDAE-RYUDHWBXSA-N 1 2 241.331 1.951 20 0 BDADLO CNc1cc(NCc2cc(C)on2)nc[nH+]1 ZINC000087825083 644504746 /nfs/dbraw/zinc/50/47/46/644504746.db2.gz XOUAAZDOWBOVIR-UHFFFAOYSA-N 1 2 219.248 1.427 20 0 BDADLO CNc1cc(NCc2cc(C)on2)[nH+]cn1 ZINC000087825083 644504753 /nfs/dbraw/zinc/50/47/53/644504753.db2.gz XOUAAZDOWBOVIR-UHFFFAOYSA-N 1 2 219.248 1.427 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246945899 644612828 /nfs/dbraw/zinc/61/28/28/644612828.db2.gz QWYAXEBGPSBNHJ-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246945899 644612834 /nfs/dbraw/zinc/61/28/34/644612834.db2.gz QWYAXEBGPSBNHJ-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000805323447 644665834 /nfs/dbraw/zinc/66/58/34/644665834.db2.gz OFIMJFBEIDUOSH-QWRGUYRKSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCCNC(=O)C1 ZINC000769116058 644678213 /nfs/dbraw/zinc/67/82/13/644678213.db2.gz SBWADJVZAVKWIY-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCCNC(=O)C1 ZINC000769116058 644678215 /nfs/dbraw/zinc/67/82/15/644678215.db2.gz SBWADJVZAVKWIY-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1nn(C)cc1C(=O)OCCCn1cc[nH+]c1 ZINC000783670476 644759421 /nfs/dbraw/zinc/75/94/21/644759421.db2.gz RXYXGFFRSAABKI-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)co1 ZINC000792158814 644792277 /nfs/dbraw/zinc/79/22/77/644792277.db2.gz CMSOSAQQCWESLQ-UHFFFAOYSA-N 1 2 232.239 1.922 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CCC=CO2)cc[nH+]1 ZINC000792254462 644795463 /nfs/dbraw/zinc/79/54/63/644795463.db2.gz KUOFEQCZMKQZFM-JTQLQIEISA-N 1 2 234.255 1.400 20 0 BDADLO COCC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000793241625 644801498 /nfs/dbraw/zinc/80/14/98/644801498.db2.gz LDWYHSFEQVBFPL-UHFFFAOYSA-N 1 2 240.303 1.178 20 0 BDADLO CC[C@H](C)OCC(=O)OCCc1c[nH+]cn1C ZINC000793240277 644802012 /nfs/dbraw/zinc/80/20/12/644802012.db2.gz YQTAUJRNKMDIBE-JTQLQIEISA-N 1 2 240.303 1.321 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCC(F)F ZINC000796746732 644812080 /nfs/dbraw/zinc/81/20/80/644812080.db2.gz UXLLNLXNDCXXLA-UHFFFAOYSA-N 1 2 218.203 1.509 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1C/C=C\Cl ZINC000812887534 644934959 /nfs/dbraw/zinc/93/49/59/644934959.db2.gz UIPZRZIVGVLEFH-GQPNGRKGSA-N 1 2 219.712 1.476 20 0 BDADLO COCC[C@H]1COCC[N@H+]1C/C=C\Cl ZINC000812887534 644934962 /nfs/dbraw/zinc/93/49/62/644934962.db2.gz UIPZRZIVGVLEFH-GQPNGRKGSA-N 1 2 219.712 1.476 20 0 BDADLO C/C=C/C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817456820 644983043 /nfs/dbraw/zinc/98/30/43/644983043.db2.gz KLIPKIMBBTXGLO-SNAWJCMRSA-N 1 2 204.273 1.891 20 0 BDADLO COCCC1C[NH+](Cc2cc(F)ncc2F)C1 ZINC000826893764 645068238 /nfs/dbraw/zinc/06/82/38/645068238.db2.gz AYNQSLPXBZUTBN-UHFFFAOYSA-N 1 2 242.269 1.828 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC[C@@H]1C=CCC1 ZINC000834324216 645138822 /nfs/dbraw/zinc/13/88/22/645138822.db2.gz ZWVWHHSMYWDDEM-LLVKDONJSA-N 1 2 233.315 1.815 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)n2)cc(C)n1 ZINC000926601711 645308967 /nfs/dbraw/zinc/30/89/67/645308967.db2.gz PYZQNAGZPIDRJY-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@](C)(O)c1ccccc1 ZINC000846039279 645391771 /nfs/dbraw/zinc/39/17/71/645391771.db2.gz QLPRVROHQASLQM-RISCZKNCSA-N 1 2 245.326 1.796 20 0 BDADLO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)c2ncnn21 ZINC000926796112 645438474 /nfs/dbraw/zinc/43/84/74/645438474.db2.gz BUFUAUKWMGIRGG-LXGUWJNJSA-N 1 2 246.236 1.824 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000848928535 645444379 /nfs/dbraw/zinc/44/43/79/645444379.db2.gz GMWRVEIQYXLNRZ-SECBINFHSA-N 1 2 236.315 1.897 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000848928535 645444387 /nfs/dbraw/zinc/44/43/87/645444387.db2.gz GMWRVEIQYXLNRZ-SECBINFHSA-N 1 2 236.315 1.897 20 0 BDADLO C[C@H](O)C[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000848928536 645445259 /nfs/dbraw/zinc/44/52/59/645445259.db2.gz GMWRVEIQYXLNRZ-VIFPVBQESA-N 1 2 236.315 1.897 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000848928536 645445266 /nfs/dbraw/zinc/44/52/66/645445266.db2.gz GMWRVEIQYXLNRZ-VIFPVBQESA-N 1 2 236.315 1.897 20 0 BDADLO C[C@H]1C[N@@H+]([C@H]2CCOC2=O)Cc2ccccc21 ZINC000857197780 645540275 /nfs/dbraw/zinc/54/02/75/645540275.db2.gz DCMUPOAZYYNUIG-GWCFXTLKSA-N 1 2 231.295 1.921 20 0 BDADLO C[C@H]1C[N@H+]([C@H]2CCOC2=O)Cc2ccccc21 ZINC000857197780 645540281 /nfs/dbraw/zinc/54/02/81/645540281.db2.gz DCMUPOAZYYNUIG-GWCFXTLKSA-N 1 2 231.295 1.921 20 0 BDADLO O=C1CCN1C[NH+]1CCC(c2ccco2)CC1 ZINC000857237157 645542364 /nfs/dbraw/zinc/54/23/64/645542364.db2.gz PHLARVMUEWKMIL-UHFFFAOYSA-N 1 2 234.299 1.649 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ncc[nH]1 ZINC000927098687 645548116 /nfs/dbraw/zinc/54/81/16/645548116.db2.gz CMGRTFOEFWHLHC-SECBINFHSA-N 1 2 245.330 1.871 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000930260339 645554699 /nfs/dbraw/zinc/55/46/99/645554699.db2.gz LJODGNXQYWPRFO-CBUKKGQASA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C\C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000930260339 645554707 /nfs/dbraw/zinc/55/47/07/645554707.db2.gz LJODGNXQYWPRFO-CBUKKGQASA-N 1 2 245.388 1.422 20 0 BDADLO CON(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000857482959 645574853 /nfs/dbraw/zinc/57/48/53/645574853.db2.gz KBMXJLUWBSWZOY-UHFFFAOYSA-N 1 2 245.282 1.542 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2cc(F)ccc21 ZINC000857502441 645578306 /nfs/dbraw/zinc/57/83/06/645578306.db2.gz IXBOGUOLAMCXPD-UHFFFAOYSA-N 1 2 245.257 1.681 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(CC(F)(F)F)C1CC1 ZINC000857510196 645582612 /nfs/dbraw/zinc/58/26/12/645582612.db2.gz XWMHUKLXYQDFAV-UHFFFAOYSA-N 1 2 247.220 1.436 20 0 BDADLO C[C@@H](CC(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000927779319 645658827 /nfs/dbraw/zinc/65/88/27/645658827.db2.gz ZVTLAXZTFABYMV-VIFPVBQESA-N 1 2 233.315 1.716 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000928041682 645685835 /nfs/dbraw/zinc/68/58/35/645685835.db2.gz WREXBTRWKMBBLK-DOLQZWNJSA-N 1 2 219.288 1.113 20 0 BDADLO CC(C)C1(O)C[NH+](CCSC(F)(F)F)C1 ZINC000123707440 645921004 /nfs/dbraw/zinc/92/10/04/645921004.db2.gz OOBUURDQZODPJK-UHFFFAOYSA-N 1 2 243.294 1.942 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929123786 645955251 /nfs/dbraw/zinc/95/52/51/645955251.db2.gz DNQOYOIIDDCCMK-BNTAEACNSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929123786 645955258 /nfs/dbraw/zinc/95/52/58/645955258.db2.gz DNQOYOIIDDCCMK-BNTAEACNSA-N 1 2 227.304 1.215 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(C(C)(C)C)no2)O1 ZINC000923969575 645968081 /nfs/dbraw/zinc/96/80/81/645968081.db2.gz HXGHUYDJTZFPFY-DTWKUNHWSA-N 1 2 239.319 1.759 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(C(C)(C)C)no2)O1 ZINC000923969575 645968083 /nfs/dbraw/zinc/96/80/83/645968083.db2.gz HXGHUYDJTZFPFY-DTWKUNHWSA-N 1 2 239.319 1.759 20 0 BDADLO CCOC(=O)CN(C)Cc1cc(C)cc(C)[nH+]1 ZINC000723603814 711524639 /nfs/dbraw/zinc/52/46/39/711524639.db2.gz XGEQEVXRGVRDQU-UHFFFAOYSA-N 1 2 236.315 1.693 20 0 BDADLO CON1CC[C@@H]([N@H+](C)Cc2ccsc2)C1=O ZINC000929179284 645987971 /nfs/dbraw/zinc/98/79/71/645987971.db2.gz GBWYHQYNHXDEFP-SNVBAGLBSA-N 1 2 240.328 1.342 20 0 BDADLO CON1CC[C@@H]([N@@H+](C)Cc2ccsc2)C1=O ZINC000929179284 645987979 /nfs/dbraw/zinc/98/79/79/645987979.db2.gz GBWYHQYNHXDEFP-SNVBAGLBSA-N 1 2 240.328 1.342 20 0 BDADLO CC[N@H+](Cc1nc(Cc2cn[nH]c2)no1)C1CC1 ZINC000924136143 645994668 /nfs/dbraw/zinc/99/46/68/645994668.db2.gz GZJVQSUPZFELNG-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO CC[N@@H+](Cc1nc(Cc2cn[nH]c2)no1)C1CC1 ZINC000924136143 645994671 /nfs/dbraw/zinc/99/46/71/645994671.db2.gz GZJVQSUPZFELNG-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1nnsc1[C@@H](C)N1CC[NH+](C)CC1 ZINC000929233472 646005312 /nfs/dbraw/zinc/00/53/12/646005312.db2.gz HLKMBUNCBVRVDC-SECBINFHSA-N 1 2 226.349 1.155 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@H+](C)CC(=O)N(C)C ZINC000929225286 646023209 /nfs/dbraw/zinc/02/32/09/646023209.db2.gz JCDUPDUYQUNLGM-VIFPVBQESA-N 1 2 239.294 1.302 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@@H+](C)CC(=O)N(C)C ZINC000929225286 646023217 /nfs/dbraw/zinc/02/32/17/646023217.db2.gz JCDUPDUYQUNLGM-VIFPVBQESA-N 1 2 239.294 1.302 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nn(C)cc1C ZINC000929267714 646048786 /nfs/dbraw/zinc/04/87/86/646048786.db2.gz DIPPXWLCNPGEGW-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nn(C)cc1C ZINC000929267714 646048791 /nfs/dbraw/zinc/04/87/91/646048791.db2.gz DIPPXWLCNPGEGW-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1cccnc1 ZINC000924533020 646052368 /nfs/dbraw/zinc/05/23/68/646052368.db2.gz HSMWFERPPXKZGK-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1cn(C)nc1C[NH+]1CCSCC1 ZINC000929275384 646053013 /nfs/dbraw/zinc/05/30/13/646053013.db2.gz AKZFOPTZPSRBNC-UHFFFAOYSA-N 1 2 211.334 1.277 20 0 BDADLO CC[N@H+](CCOC)Cc1noc2c1COCC2 ZINC000929342080 646088090 /nfs/dbraw/zinc/08/80/90/646088090.db2.gz VUSAJQJMAXLQCV-UHFFFAOYSA-N 1 2 240.303 1.216 20 0 BDADLO CC[N@@H+](CCOC)Cc1noc2c1COCC2 ZINC000929342080 646088093 /nfs/dbraw/zinc/08/80/93/646088093.db2.gz VUSAJQJMAXLQCV-UHFFFAOYSA-N 1 2 240.303 1.216 20 0 BDADLO CSCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929368463 646102369 /nfs/dbraw/zinc/10/23/69/646102369.db2.gz NDZGTLGONPHPHE-UHFFFAOYSA-N 1 2 235.312 1.656 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(C)n[nH]2)n1 ZINC000925101636 646184238 /nfs/dbraw/zinc/18/42/38/646184238.db2.gz FJRWQEUOIQVVLO-VIFPVBQESA-N 1 2 248.334 1.489 20 0 BDADLO CC(C)(C)C[N@H+](CCO)Cc1nncs1 ZINC000929596110 646191160 /nfs/dbraw/zinc/19/11/60/646191160.db2.gz OIYWCXKEGGZAEN-UHFFFAOYSA-N 1 2 229.349 1.379 20 0 BDADLO CC(C)(C)C[N@@H+](CCO)Cc1nncs1 ZINC000929596110 646191167 /nfs/dbraw/zinc/19/11/67/646191167.db2.gz OIYWCXKEGGZAEN-UHFFFAOYSA-N 1 2 229.349 1.379 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(CC(F)F)C1CCC1 ZINC000925252362 646221643 /nfs/dbraw/zinc/22/16/43/646221643.db2.gz ITDYYYASFWLLOY-UHFFFAOYSA-N 1 2 243.257 1.529 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000929698087 646253206 /nfs/dbraw/zinc/25/32/06/646253206.db2.gz YBXLTTULRGHZAI-VIFPVBQESA-N 1 2 241.360 1.476 20 0 BDADLO CC(C)c1nsc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000929698087 646253210 /nfs/dbraw/zinc/25/32/10/646253210.db2.gz YBXLTTULRGHZAI-VIFPVBQESA-N 1 2 241.360 1.476 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759532 646290893 /nfs/dbraw/zinc/29/08/93/646290893.db2.gz PCSWMMGWMPGXGC-NNYUYHANSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759532 646290897 /nfs/dbraw/zinc/29/08/97/646290897.db2.gz PCSWMMGWMPGXGC-NNYUYHANSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759534 646292357 /nfs/dbraw/zinc/29/23/57/646292357.db2.gz PCSWMMGWMPGXGC-WISYIIOYSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759534 646292360 /nfs/dbraw/zinc/29/23/60/646292360.db2.gz PCSWMMGWMPGXGC-WISYIIOYSA-N 1 2 241.331 1.437 20 0 BDADLO COC/C(C)=C\C[N@H+](CC(=O)OC)C1CC1 ZINC000929807092 646328193 /nfs/dbraw/zinc/32/81/93/646328193.db2.gz UTQZIVLHRXZPQE-POHAHGRESA-N 1 2 227.304 1.217 20 0 BDADLO COC/C(C)=C\C[N@@H+](CC(=O)OC)C1CC1 ZINC000929807092 646328195 /nfs/dbraw/zinc/32/81/95/646328195.db2.gz UTQZIVLHRXZPQE-POHAHGRESA-N 1 2 227.304 1.217 20 0 BDADLO c1coc([C@H]2C[N@H+](CCOC3CC3)CCO2)c1 ZINC000929817926 646336754 /nfs/dbraw/zinc/33/67/54/646336754.db2.gz NBFLRRDZONBQEP-CYBMUJFWSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@H]2C[N@@H+](CCOC3CC3)CCO2)c1 ZINC000929817926 646336757 /nfs/dbraw/zinc/33/67/57/646336757.db2.gz NBFLRRDZONBQEP-CYBMUJFWSA-N 1 2 237.299 1.832 20 0 BDADLO Cc1cn(C)nc1C[N@H+](C)CCOCC1CC1 ZINC000929823246 646339527 /nfs/dbraw/zinc/33/95/27/646339527.db2.gz IGWYLOJPZLUQHL-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO Cc1cn(C)nc1C[N@@H+](C)CCOCC1CC1 ZINC000929823246 646339533 /nfs/dbraw/zinc/33/95/33/646339533.db2.gz IGWYLOJPZLUQHL-UHFFFAOYSA-N 1 2 237.347 1.587 20 0 BDADLO C[N@H+](CCC1CCOCC1)Cc1nncs1 ZINC000929827080 646341241 /nfs/dbraw/zinc/34/12/41/646341241.db2.gz QVJPSSDRGBSLPO-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO C[N@@H+](CCC1CCOCC1)Cc1nncs1 ZINC000929827080 646341242 /nfs/dbraw/zinc/34/12/42/646341242.db2.gz QVJPSSDRGBSLPO-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000929836038 646348732 /nfs/dbraw/zinc/34/87/32/646348732.db2.gz PCENSQJGUAELLL-SEVUFMINSA-N 1 2 243.347 1.851 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000929836038 646348737 /nfs/dbraw/zinc/34/87/37/646348737.db2.gz PCENSQJGUAELLL-SEVUFMINSA-N 1 2 243.347 1.851 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1cnnn1C ZINC000925592253 646349577 /nfs/dbraw/zinc/34/95/77/646349577.db2.gz GZKQFCXIZAMVHD-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO COc1cc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)on1 ZINC000925636614 646379501 /nfs/dbraw/zinc/37/95/01/646379501.db2.gz YVEIUXIFQPMBJF-SFYZADRCSA-N 1 2 236.275 1.818 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C(\C)COC ZINC000929972422 646383193 /nfs/dbraw/zinc/38/31/93/646383193.db2.gz DDEMESXGUDYNLO-HUYFXPKMSA-N 1 2 229.320 1.463 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C(\C)COC ZINC000929972422 646383197 /nfs/dbraw/zinc/38/31/97/646383197.db2.gz DDEMESXGUDYNLO-HUYFXPKMSA-N 1 2 229.320 1.463 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(O)CC1 ZINC000930042607 646408736 /nfs/dbraw/zinc/40/87/36/646408736.db2.gz HUZAIHDFGWKUNI-UHFFFAOYSA-N 1 2 245.282 1.160 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1nn(C)cc1C ZINC000930123730 646447359 /nfs/dbraw/zinc/44/73/59/646447359.db2.gz JDXDVLKAPORGTI-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1nn(C)cc1C ZINC000930123730 646447361 /nfs/dbraw/zinc/44/73/61/646447361.db2.gz JDXDVLKAPORGTI-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cncc1F ZINC000930126322 646450454 /nfs/dbraw/zinc/45/04/54/646450454.db2.gz ROKUVKCKULNYOG-SFYZADRCSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)cncc1F ZINC000930126322 646450458 /nfs/dbraw/zinc/45/04/58/646450458.db2.gz ROKUVKCKULNYOG-SFYZADRCSA-N 1 2 228.242 1.315 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000930130663 646452797 /nfs/dbraw/zinc/45/27/97/646452797.db2.gz RTCCLVACHBGSJM-GFCCVEGCSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000930130663 646452798 /nfs/dbraw/zinc/45/27/98/646452798.db2.gz RTCCLVACHBGSJM-GFCCVEGCSA-N 1 2 236.315 1.848 20 0 BDADLO COC/C(C)=C\C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000930152903 646463253 /nfs/dbraw/zinc/46/32/53/646463253.db2.gz SHBHBXBKWSDORL-SZNGSJQDSA-N 1 2 241.331 1.510 20 0 BDADLO FC1=CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000930176302 646477217 /nfs/dbraw/zinc/47/72/17/646477217.db2.gz WGJYUSRYLRFTAP-DLOVCJGASA-N 1 2 227.279 1.349 20 0 BDADLO FC1=CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000930176302 646477220 /nfs/dbraw/zinc/47/72/20/646477220.db2.gz WGJYUSRYLRFTAP-DLOVCJGASA-N 1 2 227.279 1.349 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N=[S@](C)(=O)C(C)C ZINC000926059142 646568157 /nfs/dbraw/zinc/56/81/57/646568157.db2.gz ZQSAUKRDEUBUAJ-MRXNPFEDSA-N 1 2 243.332 1.293 20 0 BDADLO CCn1nc(C)c([C@H](C)NCc2c[nH+]cn2C)n1 ZINC000926445870 646640749 /nfs/dbraw/zinc/64/07/49/646640749.db2.gz VNPCSOGYWVPHPG-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC2(CC2)C1 ZINC000926454997 646645248 /nfs/dbraw/zinc/64/52/48/646645248.db2.gz DZZLCRZHDWIGHZ-UHFFFAOYSA-N 1 2 219.288 1.286 20 0 BDADLO CCCN(CCC)C(=O)C[C@H]([NH3+])C(F)F ZINC000724726650 711609995 /nfs/dbraw/zinc/60/99/95/711609995.db2.gz FWCNDJGCHXYKIW-QMMMGPOBSA-N 1 2 222.279 1.618 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001030567355 711837322 /nfs/dbraw/zinc/83/73/22/711837322.db2.gz MRFOCHIIGODVDI-AXFHLTTASA-N 1 2 222.332 1.243 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001032844786 711961484 /nfs/dbraw/zinc/96/14/84/711961484.db2.gz SXAZVKQAVZSXFO-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001032844786 711961486 /nfs/dbraw/zinc/96/14/86/711961486.db2.gz SXAZVKQAVZSXFO-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@](C)(O)C2)cc1Cl ZINC000706176153 712141639 /nfs/dbraw/zinc/14/16/39/712141639.db2.gz YTKJPDPQKIIYLQ-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@](C)(O)C2)cc1Cl ZINC000706176153 712141640 /nfs/dbraw/zinc/14/16/40/712141640.db2.gz YTKJPDPQKIIYLQ-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000707262430 712167625 /nfs/dbraw/zinc/16/76/25/712167625.db2.gz WAVTXGIAPJZCEZ-MLRMMBSGSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000707262430 712167628 /nfs/dbraw/zinc/16/76/28/712167628.db2.gz WAVTXGIAPJZCEZ-MLRMMBSGSA-N 1 2 241.331 1.605 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000710968063 712270505 /nfs/dbraw/zinc/27/05/05/712270505.db2.gz CAYFMCLOSAPMTR-WPRPVWTQSA-N 1 2 242.344 1.945 20 0 BDADLO CCOC(=O)C[N@H+](CCOC1CC1)C1CC1 ZINC000711759160 712326352 /nfs/dbraw/zinc/32/63/52/712326352.db2.gz NYDNELFMWHEAJX-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC1CC1)C1CC1 ZINC000711759160 712326354 /nfs/dbraw/zinc/32/63/54/712326354.db2.gz NYDNELFMWHEAJX-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO COC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000714291922 712481799 /nfs/dbraw/zinc/48/17/99/712481799.db2.gz DYGKMRKRYZBDLI-AOOOYVTPSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cn(C)cn2)[nH]n1 ZINC000716470489 712563265 /nfs/dbraw/zinc/56/32/65/712563265.db2.gz MCEWMYYHEMDVIT-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO COC[C@@H](C)[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000813072412 712587408 /nfs/dbraw/zinc/58/74/08/712587408.db2.gz HKVZGQNFUXMXHB-NXEZZACHSA-N 1 2 240.303 1.382 20 0 BDADLO C[C@@H](CC(=O)O[C@H]1CCSC1)n1cc[nH+]c1 ZINC000845461061 712606893 /nfs/dbraw/zinc/60/68/93/712606893.db2.gz YXUKPRIYEDWHAY-UWVGGRQHSA-N 1 2 240.328 1.883 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000717637170 712665627 /nfs/dbraw/zinc/66/56/27/712665627.db2.gz GAAWTOKASLYLEC-LLVKDONJSA-N 1 2 229.320 1.080 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCO[C@H](C)CC1 ZINC000720432139 712842288 /nfs/dbraw/zinc/84/22/88/712842288.db2.gz OBZFBJHSWHLZDL-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCO[C@H](C)CC1 ZINC000720432139 712842289 /nfs/dbraw/zinc/84/22/89/712842289.db2.gz OBZFBJHSWHLZDL-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H](SC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381566904 710657072 /nfs/dbraw/zinc/65/70/72/710657072.db2.gz TVCAUKHBCPUDEB-SECBINFHSA-N 1 2 240.328 1.679 20 0 BDADLO CC(C)[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000381601021 710660194 /nfs/dbraw/zinc/66/01/94/710660194.db2.gz HDALKOCKDVQMCY-VIFPVBQESA-N 1 2 222.288 1.829 20 0 BDADLO COc1ccsc1C[NH2+]Cc1cnn(C)n1 ZINC000381603549 710660973 /nfs/dbraw/zinc/66/09/73/710660973.db2.gz OWMBJSHQSRDUOR-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO CN(C(=O)C[C@@H]([NH3+])C(F)F)c1ccccc1 ZINC000724770947 710746548 /nfs/dbraw/zinc/74/65/48/710746548.db2.gz IOQKSBHTGMOKMU-SECBINFHSA-N 1 2 228.242 1.632 20 0 BDADLO OC1CC2(C[C@@H]2[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000724968061 710751599 /nfs/dbraw/zinc/75/15/99/710751599.db2.gz YSKWROXALFSAQI-IMXVTNBVSA-N 1 2 243.310 1.566 20 0 BDADLO N#Cc1ccc(C[NH2+]Cc2ccco2)nc1 ZINC000381862596 710757165 /nfs/dbraw/zinc/75/71/65/710757165.db2.gz WPANAFWSXNRLAB-UHFFFAOYSA-N 1 2 213.240 1.836 20 0 BDADLO COC1(CC[NH2+][C@@]2(C)CCOC2=O)CCC1 ZINC000382048447 710768626 /nfs/dbraw/zinc/76/86/26/710768626.db2.gz CSLRDDGPIOJRLQ-NSHDSACASA-N 1 2 227.304 1.241 20 0 BDADLO CCc1cccc(C(=O)N(C)C2C[NH+](CC)C2)n1 ZINC001042939116 710801515 /nfs/dbraw/zinc/80/15/15/710801515.db2.gz BRKRRLSFLPAXOT-UHFFFAOYSA-N 1 2 247.342 1.420 20 0 BDADLO CCc1oncc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001043993135 710817071 /nfs/dbraw/zinc/81/70/71/710817071.db2.gz CCCPKTFOSKVETI-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(C)s2)no1 ZINC000384322970 710992494 /nfs/dbraw/zinc/99/24/94/710992494.db2.gz WHROEHVINVEWTQ-ZETCQYMHSA-N 1 2 239.300 1.753 20 0 BDADLO CCCNc1cc(N[C@H](CC)[C@@H](C)O)nc[nH+]1 ZINC000386838594 711036917 /nfs/dbraw/zinc/03/69/17/711036917.db2.gz XEJOVFSCWSOFGF-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO CCCNc1cc(N[C@H](CC)[C@@H](C)O)[nH+]cn1 ZINC000386838594 711036921 /nfs/dbraw/zinc/03/69/21/711036921.db2.gz XEJOVFSCWSOFGF-NXEZZACHSA-N 1 2 238.335 1.870 20 0 BDADLO Cn1nccc1C[NH2+]Cc1cnn(C)c1Cl ZINC000393919319 711179746 /nfs/dbraw/zinc/17/97/46/711179746.db2.gz CCOZRPXTHBVOLS-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO C[C@@H]([NH2+]CCC1(O)CCC1)C(=O)OC(C)(C)C ZINC000398112250 711402342 /nfs/dbraw/zinc/40/23/42/711402342.db2.gz BGPBQEHPHAZFNP-SNVBAGLBSA-N 1 2 243.347 1.611 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Cl)nn1 ZINC000399421021 711429023 /nfs/dbraw/zinc/42/90/23/711429023.db2.gz NMIOLOWQKDJAIV-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Cl)nn1 ZINC000399421021 711429025 /nfs/dbraw/zinc/42/90/25/711429025.db2.gz NMIOLOWQKDJAIV-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO CC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC001067921265 710614322 /nfs/dbraw/zinc/61/43/22/710614322.db2.gz VUSMICUYVONYTR-CABZTGNLSA-N 1 2 248.330 1.136 20 0 BDADLO CC[C@@H](C)[C@H](CNc1cc(NC)nc[nH+]1)OC ZINC000381303262 710618350 /nfs/dbraw/zinc/61/83/50/710618350.db2.gz RGWVOLFLRQZPDN-ZJUUUORDSA-N 1 2 238.335 1.413 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000381479311 710643898 /nfs/dbraw/zinc/64/38/98/710643898.db2.gz CBOWPQVRTSXFKE-DTWKUNHWSA-N 1 2 207.277 1.693 20 0 BDADLO COC[C@H](CO)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724414392 710741129 /nfs/dbraw/zinc/74/11/29/710741129.db2.gz UHGWMQOQPKLGPC-VIFPVBQESA-N 1 2 242.319 1.069 20 0 BDADLO Cc1ccccc1NC(=O)C[C@H]([NH3+])C(F)F ZINC000724771385 710745694 /nfs/dbraw/zinc/74/56/94/710745694.db2.gz KMPZBSDSHNUNKA-QMMMGPOBSA-N 1 2 228.242 1.916 20 0 BDADLO CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccon2)C1 ZINC001071284415 710841130 /nfs/dbraw/zinc/84/11/30/710841130.db2.gz CBVCMXHHVOPNJS-ONGXEEELSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccon2)C1 ZINC001071284415 710841132 /nfs/dbraw/zinc/84/11/32/710841132.db2.gz CBVCMXHHVOPNJS-ONGXEEELSA-N 1 2 237.303 1.164 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(O)c2)[nH]1 ZINC000392482710 711148320 /nfs/dbraw/zinc/14/83/20/711148320.db2.gz VOUOWKJGVDSWRI-MRVPVSSYSA-N 1 2 232.287 1.670 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000399946733 711437983 /nfs/dbraw/zinc/43/79/83/711437983.db2.gz UNDTYRNJYURDNH-GXSJLCMTSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000399946733 711437985 /nfs/dbraw/zinc/43/79/85/711437985.db2.gz UNDTYRNJYURDNH-GXSJLCMTSA-N 1 2 241.360 1.664 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)COC(C)C ZINC000414483718 711456813 /nfs/dbraw/zinc/45/68/13/711456813.db2.gz FQMVDLGICYBQNZ-JQWIXIFHSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H]1CCC(=O)C[N@@H+]1CCC1CCOCC1 ZINC000932875682 711490017 /nfs/dbraw/zinc/49/00/17/711490017.db2.gz CHJFLDPHBDWTQU-NSHDSACASA-N 1 2 225.332 1.857 20 0 BDADLO C[C@H]1CCC(=O)C[N@H+]1CCC1CCOCC1 ZINC000932875682 711490018 /nfs/dbraw/zinc/49/00/18/711490018.db2.gz CHJFLDPHBDWTQU-NSHDSACASA-N 1 2 225.332 1.857 20 0 BDADLO Cc1cn(C)nc1C[NH2+][C@@H](C)c1ccnn1C ZINC000723524497 711515199 /nfs/dbraw/zinc/51/51/99/711515199.db2.gz HPSCORWQTISSNY-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000724222825 711571103 /nfs/dbraw/zinc/57/11/03/711571103.db2.gz CCZLSDMOIRLPGS-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000724222825 711571104 /nfs/dbraw/zinc/57/11/04/711571104.db2.gz CCZLSDMOIRLPGS-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721547640 711622614 /nfs/dbraw/zinc/62/26/14/711622614.db2.gz AZWGMVNEQDRCTA-OUAUKWLOSA-N 1 2 243.347 1.731 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C(C)(C)C ZINC000393788625 711678641 /nfs/dbraw/zinc/67/86/41/711678641.db2.gz JYDGRDCBLLRVSH-ZJUUUORDSA-N 1 2 231.336 1.325 20 0 BDADLO CCN1CCC[C@H]([NH2+]Cc2cscn2)C1=O ZINC000722360219 711746287 /nfs/dbraw/zinc/74/62/87/711746287.db2.gz PMQUOLHEDAYHOW-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000924949419 711766789 /nfs/dbraw/zinc/76/67/89/711766789.db2.gz LABADNCQDQQQJH-CBAPKCEASA-N 1 2 249.318 1.832 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889604577 711775116 /nfs/dbraw/zinc/77/51/16/711775116.db2.gz DWYCIXAAKMXPAF-HBNTYKKESA-N 1 2 233.315 1.647 20 0 BDADLO CC(C)C[C@H]1NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000046477785 711776958 /nfs/dbraw/zinc/77/69/58/711776958.db2.gz INXKBUZTCKXXHM-SNVBAGLBSA-N 1 2 239.319 1.005 20 0 BDADLO CC(C)C[C@H]1NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000046477785 711776959 /nfs/dbraw/zinc/77/69/59/711776959.db2.gz INXKBUZTCKXXHM-SNVBAGLBSA-N 1 2 239.319 1.005 20 0 BDADLO C[N@H+](C[C@H]1CCCCO1)Cn1cc(Cl)cn1 ZINC000126945846 711779804 /nfs/dbraw/zinc/77/98/04/711779804.db2.gz NBGXZGMGGUAJTL-LLVKDONJSA-N 1 2 243.738 1.995 20 0 BDADLO C[N@@H+](C[C@H]1CCCCO1)Cn1cc(Cl)cn1 ZINC000126945846 711779806 /nfs/dbraw/zinc/77/98/06/711779806.db2.gz NBGXZGMGGUAJTL-LLVKDONJSA-N 1 2 243.738 1.995 20 0 BDADLO CC[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030422706 711832902 /nfs/dbraw/zinc/83/29/02/711832902.db2.gz GFAFKWHXYMJFAE-NEPJUHHUSA-N 1 2 240.347 1.012 20 0 BDADLO CC[NH2+]Cc1noc(CCCOCC)n1 ZINC000087438095 711835600 /nfs/dbraw/zinc/83/56/00/711835600.db2.gz ZYPWBRLZKGIYIF-UHFFFAOYSA-N 1 2 213.281 1.148 20 0 BDADLO Cc1nc(NCCC2(C)OCCO2)cc[nH+]1 ZINC000184031096 711900382 /nfs/dbraw/zinc/90/03/82/711900382.db2.gz YYBCVJWSTFUGTD-UHFFFAOYSA-N 1 2 223.276 1.350 20 0 BDADLO CCO[C@H]1CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000131395355 711918698 /nfs/dbraw/zinc/91/86/98/711918698.db2.gz DHJSGWRSLLWWMA-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCO[C@H]1CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000131395355 711918699 /nfs/dbraw/zinc/91/86/99/711918699.db2.gz DHJSGWRSLLWWMA-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO C[C@H](CCO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494603 711935592 /nfs/dbraw/zinc/93/55/92/711935592.db2.gz XRIWNDQTMHPVHK-ZJUUUORDSA-N 1 2 231.336 1.325 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000450947208 711947937 /nfs/dbraw/zinc/94/79/37/711947937.db2.gz YNJCUWOJGDPCKA-NSHDSACASA-N 1 2 244.298 1.288 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000450947208 711947940 /nfs/dbraw/zinc/94/79/40/711947940.db2.gz YNJCUWOJGDPCKA-NSHDSACASA-N 1 2 244.298 1.288 20 0 BDADLO Cc1cn[nH]c1CNCc1cc(N(C)C)cc[nH+]1 ZINC000922481998 711972380 /nfs/dbraw/zinc/97/23/80/711972380.db2.gz DXLQGRVRRRQGEU-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Nc1[nH+]cccc1COC(=O)CC1(O)CCC1 ZINC000922785998 711976208 /nfs/dbraw/zinc/97/62/08/711976208.db2.gz WUBVGLZIXGUTNM-UHFFFAOYSA-N 1 2 236.271 1.012 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+][C@@H]1CO[C@H](C3CC3)C1)CCC2 ZINC000700993970 712011273 /nfs/dbraw/zinc/01/12/73/712011273.db2.gz VJELQYONLQCDCE-SUHUHFCYSA-N 1 2 247.342 1.944 20 0 BDADLO O[C@H](C[NH+]1CC2(C1)CCCO2)c1ccccc1 ZINC000702856710 712061437 /nfs/dbraw/zinc/06/14/37/712061437.db2.gz FCYWMLGPMSGWNI-CYBMUJFWSA-N 1 2 233.311 1.585 20 0 BDADLO Clc1cccc(Cl)c1C[NH2+][C@H]1CNOC1 ZINC000703301121 712071286 /nfs/dbraw/zinc/07/12/86/712071286.db2.gz XSCRKLDRTFARBC-ZETCQYMHSA-N 1 2 247.125 1.986 20 0 BDADLO Clc1sccc1C[NH2+][C@H]1CNOC1 ZINC000703371726 712073916 /nfs/dbraw/zinc/07/39/16/712073916.db2.gz DHVTUVCLKXRCRP-ZETCQYMHSA-N 1 2 218.709 1.395 20 0 BDADLO CNc1cc(N2CC=C(C)CC2)nc[nH+]1 ZINC000706431651 712145717 /nfs/dbraw/zinc/14/57/17/712145717.db2.gz LRDPEORVLFODPK-UHFFFAOYSA-N 1 2 204.277 1.675 20 0 BDADLO CNc1cc(N2CC=C(C)CC2)[nH+]cn1 ZINC000706431651 712145720 /nfs/dbraw/zinc/14/57/20/712145720.db2.gz LRDPEORVLFODPK-UHFFFAOYSA-N 1 2 204.277 1.675 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC(SC)C1 ZINC000706743170 712153330 /nfs/dbraw/zinc/15/33/30/712153330.db2.gz CIOFVEYFEXBVBA-UEJVZZJDSA-N 1 2 217.334 1.422 20 0 BDADLO Clc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)nn1 ZINC000706998550 712164106 /nfs/dbraw/zinc/16/41/06/712164106.db2.gz GHBJUIRMZVUFFP-IONNQARKSA-N 1 2 209.680 1.724 20 0 BDADLO Clc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)nn1 ZINC000706998550 712164108 /nfs/dbraw/zinc/16/41/08/712164108.db2.gz GHBJUIRMZVUFFP-IONNQARKSA-N 1 2 209.680 1.724 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)C(=O)OC(C)(C)C ZINC000707228191 712166938 /nfs/dbraw/zinc/16/69/38/712166938.db2.gz GQFQSOZYYBFTGZ-GMTAPVOTSA-N 1 2 243.347 1.610 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)C(=O)OC(C)(C)C ZINC000707504886 712170808 /nfs/dbraw/zinc/17/08/08/712170808.db2.gz FKSVAIREUIKULF-LPEHRKFASA-N 1 2 229.320 1.077 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)OC ZINC000708334011 712188125 /nfs/dbraw/zinc/18/81/25/712188125.db2.gz QNCPPFXGOPKIOC-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]([NH2+]Cc1ccoc1)c1cn(C)cn1 ZINC000709985866 712237292 /nfs/dbraw/zinc/23/72/92/712237292.db2.gz HYVKFYLSCCXJDK-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687952 712254325 /nfs/dbraw/zinc/25/43/25/712254325.db2.gz FTFSKQCFYVIIKY-DTWKUNHWSA-N 1 2 240.328 1.494 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687952 712254326 /nfs/dbraw/zinc/25/43/26/712254326.db2.gz FTFSKQCFYVIIKY-DTWKUNHWSA-N 1 2 240.328 1.494 20 0 BDADLO c1cc(C[NH2+]C[C@H]2CCC3(CCC3)O2)[nH]n1 ZINC000711446576 712301545 /nfs/dbraw/zinc/30/15/45/712301545.db2.gz CXEAAYAQFKBKEQ-LLVKDONJSA-N 1 2 221.304 1.601 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)[nH]n1 ZINC000711446582 712301825 /nfs/dbraw/zinc/30/18/25/712301825.db2.gz CXEAAYAQFKBKEQ-NSHDSACASA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)C(=O)OC ZINC000711484633 712306127 /nfs/dbraw/zinc/30/61/27/712306127.db2.gz OGJHXWHLHIYZDY-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO CNc1cc(N2CCC[C@@H](CF)C2)nc[nH+]1 ZINC000711508007 712307959 /nfs/dbraw/zinc/30/79/59/712307959.db2.gz KQNZLWZQTCJXMA-VIFPVBQESA-N 1 2 224.283 1.704 20 0 BDADLO CNc1cc(N2CCC[C@@H](CF)C2)[nH+]cn1 ZINC000711508007 712307961 /nfs/dbraw/zinc/30/79/61/712307961.db2.gz KQNZLWZQTCJXMA-VIFPVBQESA-N 1 2 224.283 1.704 20 0 BDADLO c1cn(C2CC2)c(C[NH2+]CCN2CCCC2)n1 ZINC000711747266 712322885 /nfs/dbraw/zinc/32/28/85/712322885.db2.gz RTXRENUGADJWRB-UHFFFAOYSA-N 1 2 234.347 1.403 20 0 BDADLO CC(Cl)(Cl)C(=O)OCc1cc[nH+]c(N)c1 ZINC000379782757 712398831 /nfs/dbraw/zinc/39/88/31/712398831.db2.gz GRHSBZVWIDXTAG-UHFFFAOYSA-N 1 2 249.097 1.731 20 0 BDADLO Cc1cnccc1C(=O)OCCCn1cc[nH+]c1 ZINC000786036347 712419477 /nfs/dbraw/zinc/41/94/77/712419477.db2.gz QLFWUQHXEVFTGH-UHFFFAOYSA-N 1 2 245.282 1.834 20 0 BDADLO CCc1nc(CNC[C@@H]2CC[N@@H+]2C)cs1 ZINC000712531038 712441715 /nfs/dbraw/zinc/44/17/15/712441715.db2.gz IOCBOOZXSRMZCO-JTQLQIEISA-N 1 2 225.361 1.499 20 0 BDADLO CCc1nc(CNC[C@@H]2CC[N@H+]2C)cs1 ZINC000712531038 712441717 /nfs/dbraw/zinc/44/17/17/712441717.db2.gz IOCBOOZXSRMZCO-JTQLQIEISA-N 1 2 225.361 1.499 20 0 BDADLO C=C/C=C/CCNc1nc(C)[nH+]c(N)n1 ZINC000713471894 712461246 /nfs/dbraw/zinc/46/12/46/712461246.db2.gz PZSZTGYGWUYCMM-SNAWJCMRSA-N 1 2 205.265 1.306 20 0 BDADLO C=C/C=C/CCNc1nc(N)nc(C)[nH+]1 ZINC000713471894 712461247 /nfs/dbraw/zinc/46/12/47/712461247.db2.gz PZSZTGYGWUYCMM-SNAWJCMRSA-N 1 2 205.265 1.306 20 0 BDADLO COC(=O)C[NH2+]C1(CO)CCCCCCC1 ZINC000713486175 712462222 /nfs/dbraw/zinc/46/22/22/712462222.db2.gz BBVXJIFZJAQHEA-UHFFFAOYSA-N 1 2 229.320 1.224 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713562570 712464735 /nfs/dbraw/zinc/46/47/35/712464735.db2.gz UTBOFTHIZWGBGS-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713562570 712464734 /nfs/dbraw/zinc/46/47/34/712464734.db2.gz UTBOFTHIZWGBGS-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715122474 712510823 /nfs/dbraw/zinc/51/08/23/712510823.db2.gz QUNUWWBENZVPOV-ZETCQYMHSA-N 1 2 209.236 1.383 20 0 BDADLO c1nc(C[NH2+][C@H]2CCCC23OCCO3)co1 ZINC000715647009 712529609 /nfs/dbraw/zinc/52/96/09/712529609.db2.gz UMMRJKCPMZZKQW-JTQLQIEISA-N 1 2 224.260 1.060 20 0 BDADLO CCCn1cc([C@H](C)[NH2+]Cc2cnn(C)c2)nn1 ZINC000715839384 712535563 /nfs/dbraw/zinc/53/55/63/712535563.db2.gz YUXAAFQPFBVCLQ-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccccn1 ZINC000715856133 712537190 /nfs/dbraw/zinc/53/71/90/712537190.db2.gz QOTXTISGRPEQDT-ZJUUUORDSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cn(C)nn1 ZINC000715905290 712541883 /nfs/dbraw/zinc/54/18/83/712541883.db2.gz BNSINLRUXITKTI-SECBINFHSA-N 1 2 232.287 1.372 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2cn(C)nn2)nc1C ZINC000715947110 712545138 /nfs/dbraw/zinc/54/51/38/712545138.db2.gz UVQCYNWATQPPHP-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)nc(N)[nH+]1 ZINC000717074995 712628915 /nfs/dbraw/zinc/62/89/15/712628915.db2.gz IHCSOPYSDWJEPC-CUJWVEQBSA-N 1 2 233.319 1.466 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)[nH+]1 ZINC000717074995 712628916 /nfs/dbraw/zinc/62/89/16/712628916.db2.gz IHCSOPYSDWJEPC-CUJWVEQBSA-N 1 2 233.319 1.466 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000379930396 712631693 /nfs/dbraw/zinc/63/16/93/712631693.db2.gz ODLOFIYPBHQOEU-UWVGGRQHSA-N 1 2 231.361 1.671 20 0 BDADLO OC/C=C\C[NH2+]Cc1occc1Br ZINC000717576397 712661187 /nfs/dbraw/zinc/66/11/87/712661187.db2.gz ILXIDVMYEJVTPV-UPHRSURJSA-N 1 2 246.104 1.680 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)nn2)CCO1 ZINC000720493559 712847408 /nfs/dbraw/zinc/84/74/08/712847408.db2.gz FFVRKEHRYVTFPQ-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)nn2)CCO1 ZINC000720493559 712847410 /nfs/dbraw/zinc/84/74/10/712847410.db2.gz FFVRKEHRYVTFPQ-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cn(C)nn1)c1ccoc1 ZINC000720581221 712854250 /nfs/dbraw/zinc/85/42/50/712854250.db2.gz BLKPCJSKLBZYSW-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cn(C)nn2)cn1 ZINC000720602807 712857268 /nfs/dbraw/zinc/85/72/68/712857268.db2.gz NVGNOBVZPXYSII-UWVGGRQHSA-N 1 2 248.334 1.443 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nn2)cn1 ZINC000720602811 712857389 /nfs/dbraw/zinc/85/73/89/712857389.db2.gz NVGNOBVZPXYSII-ZJUUUORDSA-N 1 2 248.334 1.443 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(C)C ZINC000396827044 957291742 /nfs/dbraw/zinc/29/17/42/957291742.db2.gz CORYTFOEFIHCJB-UWVGGRQHSA-N 1 2 229.320 1.341 20 0 BDADLO CCC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000077276857 957338329 /nfs/dbraw/zinc/33/83/29/957338329.db2.gz JOSUXNIMCMWWOR-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3[nH]ncc32)CO1 ZINC000402132146 970764128 /nfs/dbraw/zinc/76/41/28/970764128.db2.gz JQBZZWFAXJQMLA-YWVKMMECSA-N 1 2 221.304 1.554 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)c1cccn1C ZINC000724144009 958740424 /nfs/dbraw/zinc/74/04/24/958740424.db2.gz DOZMCDSKFMNHDI-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)c1cccn1C ZINC000724144009 958740427 /nfs/dbraw/zinc/74/04/27/958740427.db2.gz DOZMCDSKFMNHDI-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1C ZINC000724750414 959364821 /nfs/dbraw/zinc/36/48/21/959364821.db2.gz DNNSEOTVBVLPDG-VGMNWLOBSA-N 1 2 234.290 1.616 20 0 BDADLO Nc1cc(Cl)[nH+]c(NCC2(CO)CCC2)c1 ZINC000309553578 959919474 /nfs/dbraw/zinc/91/94/74/959919474.db2.gz LJJVWZYAMNERHU-UHFFFAOYSA-N 1 2 241.722 1.892 20 0 BDADLO CC/C=C(\C)C(=O)NC1C[NH+](CCOCC)C1 ZINC001267639754 960159325 /nfs/dbraw/zinc/15/93/25/960159325.db2.gz QPINMAFNUDPAOV-IZZDOVSWSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCOC[C@@H]1C ZINC001203052794 960465717 /nfs/dbraw/zinc/46/57/17/960465717.db2.gz MJEGUXPIKMPAGK-VIFPVBQESA-N 1 2 223.320 1.258 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCOC[C@@H]1C ZINC001203052794 960465732 /nfs/dbraw/zinc/46/57/32/960465732.db2.gz MJEGUXPIKMPAGK-VIFPVBQESA-N 1 2 223.320 1.258 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)n[nH]1 ZINC001203069894 960617526 /nfs/dbraw/zinc/61/75/26/960617526.db2.gz DRAAEVFYUKDJLI-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)n[nH]1 ZINC001203069894 960617534 /nfs/dbraw/zinc/61/75/34/960617534.db2.gz DRAAEVFYUKDJLI-WDEREUQCSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)n[nH]1 ZINC001203070284 960624609 /nfs/dbraw/zinc/62/46/09/960624609.db2.gz NOWRJYPHZLXLTR-GHMZBOCLSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)n[nH]1 ZINC001203070284 960624618 /nfs/dbraw/zinc/62/46/18/960624618.db2.gz NOWRJYPHZLXLTR-GHMZBOCLSA-N 1 2 227.283 1.013 20 0 BDADLO C[C@H]1C[N@H+](Cc2csnn2)CCC[C@H]1O ZINC001140992780 960788637 /nfs/dbraw/zinc/78/86/37/960788637.db2.gz WZWKAMLISQDYBI-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1C[N@@H+](Cc2csnn2)CCC[C@H]1O ZINC001140992780 960788653 /nfs/dbraw/zinc/78/86/53/960788653.db2.gz WZWKAMLISQDYBI-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO COCC[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC001140995879 960789862 /nfs/dbraw/zinc/78/98/62/960789862.db2.gz LDYDABASRIDDHS-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO COCC[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC001140995879 960789885 /nfs/dbraw/zinc/78/98/85/960789885.db2.gz LDYDABASRIDDHS-NSHDSACASA-N 1 2 241.360 1.929 20 0 BDADLO c1coc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001141004425 960799539 /nfs/dbraw/zinc/79/95/39/960799539.db2.gz FWEQVXUJXBUEJQ-ZJUUUORDSA-N 1 2 208.261 1.285 20 0 BDADLO c1coc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001141004425 960799545 /nfs/dbraw/zinc/79/95/45/960799545.db2.gz FWEQVXUJXBUEJQ-ZJUUUORDSA-N 1 2 208.261 1.285 20 0 BDADLO FC1CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141042027 960831329 /nfs/dbraw/zinc/83/13/29/960831329.db2.gz CFHVBPISCAVCIY-UHFFFAOYSA-N 1 2 205.236 1.488 20 0 BDADLO CCCCc1[nH]c(CN2CCO[C@H](C)C2)c[nH+]1 ZINC001141067610 960858639 /nfs/dbraw/zinc/85/86/39/960858639.db2.gz IXKLFWDTQPIKOD-LLVKDONJSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]cc(CN2CCO[C@H](C)C2)[nH+]1 ZINC001141067610 960858641 /nfs/dbraw/zinc/85/86/41/960858641.db2.gz IXKLFWDTQPIKOD-LLVKDONJSA-N 1 2 237.347 1.973 20 0 BDADLO CC[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000724709150 961024148 /nfs/dbraw/zinc/02/41/48/961024148.db2.gz VSEPZGMJWDYBMF-YUMQZZPRSA-N 1 2 220.263 1.370 20 0 BDADLO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ncon1 ZINC000397908716 961449696 /nfs/dbraw/zinc/44/96/96/961449696.db2.gz BQEUIRCQJQDQEV-SECBINFHSA-N 1 2 225.292 1.415 20 0 BDADLO CC/C=C(\C)C(=O)N(CC)C1C[NH+](C)C1 ZINC001142670136 961581707 /nfs/dbraw/zinc/58/17/07/961581707.db2.gz TVLNLZKPKGJMKT-JXMROGBWSA-N 1 2 210.321 1.505 20 0 BDADLO Fc1cc(C[NH+]2CC3(COC3)C2)ccn1 ZINC001139830366 961731957 /nfs/dbraw/zinc/73/19/57/961731957.db2.gz ADTKHCHLGKEWFA-UHFFFAOYSA-N 1 2 208.236 1.053 20 0 BDADLO CCN(C[C@H]1CCCO1)c1cc(N)nc[nH+]1 ZINC000087821795 961755728 /nfs/dbraw/zinc/75/57/28/961755728.db2.gz BHGIUUXOYPNASL-SECBINFHSA-N 1 2 222.292 1.064 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1ccsc1)C2 ZINC001270248013 962917618 /nfs/dbraw/zinc/91/76/18/962917618.db2.gz MXKQQSKKQNFPRK-UHFFFAOYSA-N 1 2 222.313 1.278 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1ccsc1)C2 ZINC001270248013 962917629 /nfs/dbraw/zinc/91/76/29/962917629.db2.gz MXKQQSKKQNFPRK-UHFFFAOYSA-N 1 2 222.313 1.278 20 0 BDADLO CC(=O)NCc1ccc(NCC(C)C)[nH+]c1 ZINC001161645221 962984422 /nfs/dbraw/zinc/98/44/22/962984422.db2.gz VINPAUCGVHCUJK-UHFFFAOYSA-N 1 2 221.304 1.786 20 0 BDADLO Fc1c[nH+]ccc1NCC1(F)CCOCC1 ZINC001168123646 963793347 /nfs/dbraw/zinc/79/33/47/963793347.db2.gz KGEAQQRQNYSCMX-UHFFFAOYSA-N 1 2 228.242 1.573 20 0 BDADLO CO[C@@H](C)CNc1cc(C)[nH+]c(SC)n1 ZINC001158805468 963928193 /nfs/dbraw/zinc/92/81/93/963928193.db2.gz NWCAOZGIYVVRGX-QMMMGPOBSA-N 1 2 227.333 1.954 20 0 BDADLO COC(C[N@H+](C)Cc1c(N)cccc1F)OC ZINC000714638086 964285977 /nfs/dbraw/zinc/28/59/77/964285977.db2.gz PDLSBENLONZIHV-UHFFFAOYSA-N 1 2 242.294 1.459 20 0 BDADLO COC(C[N@@H+](C)Cc1c(N)cccc1F)OC ZINC000714638086 964285989 /nfs/dbraw/zinc/28/59/89/964285989.db2.gz PDLSBENLONZIHV-UHFFFAOYSA-N 1 2 242.294 1.459 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1cc(Cl)ccn1 ZINC001161946229 964830900 /nfs/dbraw/zinc/83/09/00/964830900.db2.gz UBAMAMFHESLIJF-MRVPVSSYSA-N 1 2 243.694 1.037 20 0 BDADLO CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001089189916 965509003 /nfs/dbraw/zinc/50/90/03/965509003.db2.gz GHCFYKOJCMTJIQ-DTWKUNHWSA-N 1 2 236.319 1.500 20 0 BDADLO C[C@]1(O)CCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001165232162 965996817 /nfs/dbraw/zinc/99/68/17/965996817.db2.gz RBSDZVUOEXPSEW-ZDUSSCGKSA-N 1 2 218.300 1.920 20 0 BDADLO c1csc(C[NH+]2CC(C3COC3)C2)n1 ZINC001204545000 967042836 /nfs/dbraw/zinc/04/28/36/967042836.db2.gz ZLFDAGNNVYMIHH-UHFFFAOYSA-N 1 2 210.302 1.221 20 0 BDADLO c1csc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001204548608 967048439 /nfs/dbraw/zinc/04/84/39/967048439.db2.gz SVBCUZLXNCPMRC-DTWKUNHWSA-N 1 2 210.302 1.364 20 0 BDADLO c1csc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001204548608 967048454 /nfs/dbraw/zinc/04/84/54/967048454.db2.gz SVBCUZLXNCPMRC-DTWKUNHWSA-N 1 2 210.302 1.364 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CSCC ZINC000164135583 968508348 /nfs/dbraw/zinc/50/83/48/968508348.db2.gz JJVONTSGFGGPJB-BDAKNGLRSA-N 1 2 219.350 1.669 20 0 BDADLO COc1cccc(F)c1C[NH+]1CC(CO)C1 ZINC000164431531 968516450 /nfs/dbraw/zinc/51/64/50/968516450.db2.gz PYZBVGUEYMXRBV-UHFFFAOYSA-N 1 2 225.263 1.258 20 0 BDADLO CC[C@@H](C[N@H+]1CCC[C@H]1c1nnc[nH]1)OC ZINC000822603725 968528493 /nfs/dbraw/zinc/52/84/93/968528493.db2.gz LAZRFINUZTYLJC-UWVGGRQHSA-N 1 2 224.308 1.367 20 0 BDADLO CC(C)(O)C[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001252351642 968631960 /nfs/dbraw/zinc/63/19/60/968631960.db2.gz WKOATHFEHOHUBS-MRVPVSSYSA-N 1 2 225.254 1.827 20 0 BDADLO CC(C)(O)C[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001252351642 968631967 /nfs/dbraw/zinc/63/19/67/968631967.db2.gz WKOATHFEHOHUBS-MRVPVSSYSA-N 1 2 225.254 1.827 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001085447399 968714577 /nfs/dbraw/zinc/71/45/77/968714577.db2.gz AZLNBLNXTNWUTC-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001085447399 968714587 /nfs/dbraw/zinc/71/45/87/968714587.db2.gz AZLNBLNXTNWUTC-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC1(C)C[C@H](C[NH+]2CC(F)C2)CCO1 ZINC001207353543 968734445 /nfs/dbraw/zinc/73/44/45/968734445.db2.gz NAORWARUKGMNPK-SECBINFHSA-N 1 2 201.285 1.845 20 0 BDADLO CCC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001252799407 968982951 /nfs/dbraw/zinc/98/29/51/968982951.db2.gz RJLSKOGUFNMDEH-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO CCc1[nH+]ccc(C)c1NC[C@H](O)COC ZINC001252813083 969008798 /nfs/dbraw/zinc/00/87/98/969008798.db2.gz VOLBKGHAAYJBTM-JTQLQIEISA-N 1 2 224.304 1.372 20 0 BDADLO CC(C)(C)OC[C@@H](O)CNc1cc[nH+]nc1 ZINC001253442781 969177734 /nfs/dbraw/zinc/17/77/34/969177734.db2.gz KUTXNWXBETURIN-JTQLQIEISA-N 1 2 225.292 1.065 20 0 BDADLO COCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209048877 969335250 /nfs/dbraw/zinc/33/52/50/969335250.db2.gz VFLGYYSFMNZBHP-VIFPVBQESA-N 1 2 203.257 1.026 20 0 BDADLO COCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209048877 969335256 /nfs/dbraw/zinc/33/52/56/969335256.db2.gz VFLGYYSFMNZBHP-VIFPVBQESA-N 1 2 203.257 1.026 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001209554488 969538518 /nfs/dbraw/zinc/53/85/18/969538518.db2.gz IJIRGORDUMCDDF-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001209554488 969538526 /nfs/dbraw/zinc/53/85/26/969538526.db2.gz IJIRGORDUMCDDF-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH+]cc(Nc2cnns2)cc1N ZINC001210286808 969853074 /nfs/dbraw/zinc/85/30/74/969853074.db2.gz CEFKZYWFUYDUNK-UHFFFAOYSA-N 1 2 207.262 1.567 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2CCSC2)no1 ZINC001255267513 970020133 /nfs/dbraw/zinc/02/01/33/970020133.db2.gz JYTKNQBXRRZAGD-MRVPVSSYSA-N 1 2 227.333 1.788 20 0 BDADLO c1cncc(OC2C[NH+]([C@H]3CCSC3)C2)c1 ZINC001255289900 970046953 /nfs/dbraw/zinc/04/69/53/970046953.db2.gz RVPSAGLPHOJCHX-JTQLQIEISA-N 1 2 236.340 1.650 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001255547230 970320888 /nfs/dbraw/zinc/32/08/88/970320888.db2.gz STUWTRMCBZBGBM-NXEZZACHSA-N 1 2 249.301 1.646 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001255547230 970320893 /nfs/dbraw/zinc/32/08/93/970320893.db2.gz STUWTRMCBZBGBM-NXEZZACHSA-N 1 2 249.301 1.646 20 0 BDADLO COC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001255571554 970366407 /nfs/dbraw/zinc/36/64/07/970366407.db2.gz QIEPCOIBSGQSEZ-JGVFFNPUSA-N 1 2 211.227 1.700 20 0 BDADLO COC[C@H](C)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001255571554 970366412 /nfs/dbraw/zinc/36/64/12/970366412.db2.gz QIEPCOIBSGQSEZ-JGVFFNPUSA-N 1 2 211.227 1.700 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCSC1=O ZINC001255636489 970412969 /nfs/dbraw/zinc/41/29/69/970412969.db2.gz OTSYAAYBKXYOFK-WDSKDSINSA-N 1 2 227.251 1.949 20 0 BDADLO CC(=O)N1CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC001255653793 970429359 /nfs/dbraw/zinc/42/93/59/970429359.db2.gz WDDACBBXRVVEFH-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@H](CC(F)(F)F)[NH+]1CCN(C(N)=O)CC1 ZINC001255658660 970436434 /nfs/dbraw/zinc/43/64/34/970436434.db2.gz UERBCZBMVDADLD-SSDOTTSWSA-N 1 2 239.241 1.024 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn(C)cn2)nc1 ZINC000400823828 970630725 /nfs/dbraw/zinc/63/07/25/970630725.db2.gz IOSLFTOCGLDNST-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO CCSC[C@@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001173300390 975195100 /nfs/dbraw/zinc/19/51/00/975195100.db2.gz LIAVTTBTKLGIHE-SECBINFHSA-N 1 2 223.345 1.934 20 0 BDADLO CCSC[C@@H](C)[N@H+]1Cc2cncnc2C1 ZINC001173300390 975195107 /nfs/dbraw/zinc/19/51/07/975195107.db2.gz LIAVTTBTKLGIHE-SECBINFHSA-N 1 2 223.345 1.934 20 0 BDADLO CCSC[C@H](C)[NH+]1CC(OC(C)=O)C1 ZINC001173304837 975205905 /nfs/dbraw/zinc/20/59/05/975205905.db2.gz KGINZJLCILAIIK-QMMMGPOBSA-N 1 2 217.334 1.375 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccc(Cl)nn2)o1 ZINC001333001754 975365268 /nfs/dbraw/zinc/36/52/68/975365268.db2.gz ZGKLLDVLXUUZQF-UHFFFAOYSA-N 1 2 238.678 1.716 20 0 BDADLO COCC(C)(C)Cc1nnc(C[NH+](C)C)o1 ZINC001333121762 975453424 /nfs/dbraw/zinc/45/34/24/975453424.db2.gz ODFWFEMHAVGFMR-UHFFFAOYSA-N 1 2 227.308 1.346 20 0 BDADLO CCOc1cc(C[N@H+](C)C2COC2)ccc1O ZINC001204131224 975529046 /nfs/dbraw/zinc/52/90/46/975529046.db2.gz VZSIJJYGOCNSCN-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CCOc1cc(C[N@@H+](C)C2COC2)ccc1O ZINC001204131224 975529067 /nfs/dbraw/zinc/52/90/67/975529067.db2.gz VZSIJJYGOCNSCN-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO C[C@H](C(=O)NC/C=C/Cl)n1cc[nH+]c1 ZINC001333624652 975898650 /nfs/dbraw/zinc/89/86/50/975898650.db2.gz HCUYWMCKBJGHFX-UFUPEUMYSA-N 1 2 213.668 1.313 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCCOCC2)o1 ZINC001334281278 976422129 /nfs/dbraw/zinc/42/21/29/976422129.db2.gz VINSHPDGFZBVNP-MRVPVSSYSA-N 1 2 211.265 1.161 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)CCC1CC1 ZINC001231350651 977576961 /nfs/dbraw/zinc/57/69/61/977576961.db2.gz UBHSEPSIBFCBLJ-LBPRGKRZSA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)CCC1CC1 ZINC001231350651 977576969 /nfs/dbraw/zinc/57/69/69/977576969.db2.gz UBHSEPSIBFCBLJ-LBPRGKRZSA-N 1 2 242.338 1.679 20 0 BDADLO C[N@H+]1CCC=C(Nc2nonc2C2CC2)C1 ZINC001175577431 977592024 /nfs/dbraw/zinc/59/20/24/977592024.db2.gz TYNFODQJZHQKBJ-UHFFFAOYSA-N 1 2 220.276 1.578 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2ncsc2C)C1 ZINC001232205652 977930197 /nfs/dbraw/zinc/93/01/97/977930197.db2.gz SYFKZPGMWIKGCP-QMMMGPOBSA-N 1 2 226.345 1.918 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(C)cn1 ZINC001176119541 977949371 /nfs/dbraw/zinc/94/93/71/977949371.db2.gz SPHVDBMVBOTBNX-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)s1 ZINC001232242912 977972202 /nfs/dbraw/zinc/97/22/02/977972202.db2.gz NNOBESLIIKNPTD-RKDXNWHRSA-N 1 2 245.323 1.141 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)s1 ZINC001232242912 977972210 /nfs/dbraw/zinc/97/22/10/977972210.db2.gz NNOBESLIIKNPTD-RKDXNWHRSA-N 1 2 245.323 1.141 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CC(F)(F)CO3)c[nH+]1 ZINC001232465233 978107946 /nfs/dbraw/zinc/10/79/46/978107946.db2.gz ZIVHLDATVACYET-UHFFFAOYSA-N 1 2 243.257 1.328 20 0 BDADLO Cc1[nH]cc(CN2CC3(C2)CC(F)(F)CO3)[nH+]1 ZINC001232465233 978107948 /nfs/dbraw/zinc/10/79/48/978107948.db2.gz ZIVHLDATVACYET-UHFFFAOYSA-N 1 2 243.257 1.328 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232936861 978348799 /nfs/dbraw/zinc/34/87/99/978348799.db2.gz XWQGHWMHMITWLH-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232936861 978348809 /nfs/dbraw/zinc/34/88/09/978348809.db2.gz XWQGHWMHMITWLH-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO COC(=O)C1C[NH+](Cc2cnc(C)c(C)c2)C1 ZINC001233156667 978477216 /nfs/dbraw/zinc/47/72/16/978477216.db2.gz SMYUWWHKIVZYMT-UHFFFAOYSA-N 1 2 234.299 1.303 20 0 BDADLO CCN1C[C@H](C[N@@H+]2CCC[C@H](F)C2)OC1=O ZINC001337811267 978508724 /nfs/dbraw/zinc/50/87/24/978508724.db2.gz ZKIFNCBMYWVGOZ-UWVGGRQHSA-N 1 2 230.283 1.261 20 0 BDADLO CCN1C[C@H](C[N@H+]2CCC[C@H](F)C2)OC1=O ZINC001337811267 978508729 /nfs/dbraw/zinc/50/87/29/978508729.db2.gz ZKIFNCBMYWVGOZ-UWVGGRQHSA-N 1 2 230.283 1.261 20 0 BDADLO OCC1CC[NH+](Cc2cncc(Cl)n2)CC1 ZINC001233447039 978605925 /nfs/dbraw/zinc/60/59/25/978605925.db2.gz RIRXHABJMCBRMV-UHFFFAOYSA-N 1 2 241.722 1.334 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc(Cl)n2)CCCO1 ZINC001233447081 978605957 /nfs/dbraw/zinc/60/59/57/978605957.db2.gz SQNFKKNCTDQIPF-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc(Cl)n2)CCCO1 ZINC001233447081 978605964 /nfs/dbraw/zinc/60/59/64/978605964.db2.gz SQNFKKNCTDQIPF-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncn[nH]1 ZINC000070568231 978860248 /nfs/dbraw/zinc/86/02/48/978860248.db2.gz XDJNUJSHOJQRLA-UWVGGRQHSA-N 1 2 208.309 1.863 20 0 BDADLO Fc1cnc(C[NH+]2C3CCC2CC3)nc1 ZINC001235011476 978946988 /nfs/dbraw/zinc/94/69/88/978946988.db2.gz QIHJEHAZZCVRTD-UHFFFAOYSA-N 1 2 207.252 1.743 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cc(C)cnc1F ZINC001235342170 979030964 /nfs/dbraw/zinc/03/09/64/979030964.db2.gz JLFRKHRBTGFQGT-NSHDSACASA-N 1 2 224.279 1.750 20 0 BDADLO CO[C@H](C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001181460009 979114266 /nfs/dbraw/zinc/11/42/66/979114266.db2.gz VWQQTQFGLDLIHV-SECBINFHSA-N 1 2 237.303 1.259 20 0 BDADLO COc1c(Cl)ccc(F)c1C[N@H+](C)CCO ZINC001236259530 979482683 /nfs/dbraw/zinc/48/26/83/979482683.db2.gz XYKDKSVYHSWLMZ-UHFFFAOYSA-N 1 2 247.697 1.912 20 0 BDADLO COc1c(Cl)ccc(F)c1C[N@@H+](C)CCO ZINC001236259530 979482686 /nfs/dbraw/zinc/48/26/86/979482686.db2.gz XYKDKSVYHSWLMZ-UHFFFAOYSA-N 1 2 247.697 1.912 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCC1(C)C)n1cc[nH+]c1 ZINC001341969145 979608050 /nfs/dbraw/zinc/60/80/50/979608050.db2.gz MCKTZTUXUHHZSN-UWVGGRQHSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1nccnc1Cl ZINC001236622624 979681965 /nfs/dbraw/zinc/68/19/65/979681965.db2.gz WGYAWMFAMLBRRP-DTWKUNHWSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1nccnc1Cl ZINC001236622624 979681970 /nfs/dbraw/zinc/68/19/70/979681970.db2.gz WGYAWMFAMLBRRP-DTWKUNHWSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@]1(CO)CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614105 979681981 /nfs/dbraw/zinc/68/19/81/979681981.db2.gz OEDWWCAGTJZPRS-NSHDSACASA-N 1 2 241.722 1.334 20 0 BDADLO C[C@]1(CO)CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614105 979681988 /nfs/dbraw/zinc/68/19/88/979681988.db2.gz OEDWWCAGTJZPRS-NSHDSACASA-N 1 2 241.722 1.334 20 0 BDADLO COc1cccc(C[NH+]2CC(CO)C2)c1Cl ZINC001237187852 979837608 /nfs/dbraw/zinc/83/76/08/979837608.db2.gz BILYJASAXIQISU-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cncc(C2CC2)c1 ZINC001238181144 980201793 /nfs/dbraw/zinc/20/17/93/980201793.db2.gz DKHLXOMJBUVNTE-UHFFFAOYSA-N 1 2 218.300 1.980 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cncc(C2CC2)c1 ZINC001238181144 980201804 /nfs/dbraw/zinc/20/18/04/980201804.db2.gz DKHLXOMJBUVNTE-UHFFFAOYSA-N 1 2 218.300 1.980 20 0 BDADLO CC(C)C(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001347338133 981050795 /nfs/dbraw/zinc/05/07/95/981050795.db2.gz CQHSFXFDIRIUDV-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO C[S@](=O)[C@@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC001348361017 981344307 /nfs/dbraw/zinc/34/43/07/981344307.db2.gz ZXNVFSXDCUFJQY-FCHSOHFDSA-N 1 2 224.329 1.793 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC001203784323 981492805 /nfs/dbraw/zinc/49/28/05/981492805.db2.gz UICDGDXTJVMIAC-NWDGAFQWSA-N 1 2 227.254 1.994 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CCC1CCC1 ZINC001349266702 981525097 /nfs/dbraw/zinc/52/50/97/981525097.db2.gz ZGRZMLAFXAPRGZ-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC1(O)C[NH+](CCc2ccc(F)cc2F)C1 ZINC001349626178 981599251 /nfs/dbraw/zinc/59/92/51/981599251.db2.gz PYQHBNNGNNTSSZ-UHFFFAOYSA-N 1 2 227.254 1.574 20 0 BDADLO Cc1cc(-c2ccnc(N)c2)c[nH+]c1N ZINC001241169941 982315005 /nfs/dbraw/zinc/31/50/05/982315005.db2.gz BGIXNSFHMIDUQR-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO Cc1cc(-c2cc[nH+]c(N)c2)cnc1N ZINC001241169941 982315022 /nfs/dbraw/zinc/31/50/22/982315022.db2.gz BGIXNSFHMIDUQR-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO CC[C@@H](C)NC(=S)Nc1c[nH+]c(C)n1C ZINC001200470676 983034030 /nfs/dbraw/zinc/03/40/30/983034030.db2.gz AMHFCTVGJWAAAE-SSDOTTSWSA-N 1 2 226.349 1.813 20 0 BDADLO CCC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100445753 983103218 /nfs/dbraw/zinc/10/32/18/983103218.db2.gz VBQLNGAGDRWGOK-UHFFFAOYSA-N 1 2 236.319 1.138 20 0 BDADLO C[C@H]([NH3+])C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959624 983226471 /nfs/dbraw/zinc/22/64/71/983226471.db2.gz WFQRQDOUJWXKST-GZMMTYOYSA-N 1 2 240.278 1.230 20 0 BDADLO C[N@H+](CCC(F)(F)F)Cc1ccncn1 ZINC001202368589 983642030 /nfs/dbraw/zinc/64/20/30/983642030.db2.gz QEPBBKOPRIFNDX-UHFFFAOYSA-N 1 2 219.210 1.861 20 0 BDADLO C[N@@H+](CCC(F)(F)F)Cc1ccncn1 ZINC001202368589 983642042 /nfs/dbraw/zinc/64/20/42/983642042.db2.gz QEPBBKOPRIFNDX-UHFFFAOYSA-N 1 2 219.210 1.861 20 0 BDADLO CC(C)NC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001202537058 983901126 /nfs/dbraw/zinc/90/11/26/983901126.db2.gz ZMDUESNNJZFWMZ-UHFFFAOYSA-N 1 2 236.319 1.501 20 0 BDADLO CC(C)n1cc(C[NH+]2CC3(COC3)C2)cn1 ZINC001137072745 983907763 /nfs/dbraw/zinc/90/77/63/983907763.db2.gz FIBNNPLIRYHFAQ-UHFFFAOYSA-N 1 2 221.304 1.296 20 0 BDADLO O=C1CCC[N@@H+](CCC2CCOCC2)C[C@H]1F ZINC001202611534 984125750 /nfs/dbraw/zinc/12/57/50/984125750.db2.gz SQKPNIFRHLIXKK-GFCCVEGCSA-N 1 2 243.322 1.806 20 0 BDADLO O=C1CCC[N@H+](CCC2CCOCC2)C[C@H]1F ZINC001202611534 984125755 /nfs/dbraw/zinc/12/57/55/984125755.db2.gz SQKPNIFRHLIXKK-GFCCVEGCSA-N 1 2 243.322 1.806 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H](CC)CC(C)C)[C@@H](C)O ZINC001172390723 974740633 /nfs/dbraw/zinc/74/06/33/974740633.db2.gz WXJVEOIIHVVNDR-UTUOFQBUSA-N 1 2 245.363 1.713 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCC(F)(F)F ZINC001331564548 974756856 /nfs/dbraw/zinc/75/68/56/974756856.db2.gz CNCZEJKWFWAXDE-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCC(F)(F)F ZINC001331564548 974756862 /nfs/dbraw/zinc/75/68/62/974756862.db2.gz CNCZEJKWFWAXDE-ZETCQYMHSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@H](C(=O)N(C1CC1)C1CC1)n1cc[nH+]c1 ZINC001331808864 974825315 /nfs/dbraw/zinc/82/53/15/974825315.db2.gz JDWQFCPZIANGGX-SECBINFHSA-N 1 2 219.288 1.598 20 0 BDADLO C=CC(=O)OC[C@H](C)OCc1c[nH+]cn1C ZINC001222595087 972591527 /nfs/dbraw/zinc/59/15/27/972591527.db2.gz NVZVHANFXNKMQM-VIFPVBQESA-N 1 2 224.260 1.054 20 0 BDADLO COC(=O)[C@@H]1CC[C@H](OCc2c[nH+]cn2C)C1 ZINC001222599870 972597565 /nfs/dbraw/zinc/59/75/65/972597565.db2.gz HQTCOMWZOUQDEI-KOLCDFICSA-N 1 2 238.287 1.278 20 0 BDADLO Cc1nnc(COC2C[NH+](C(C)C)C2)s1 ZINC001223344744 972988937 /nfs/dbraw/zinc/98/89/37/972988937.db2.gz OSAKMVSCQQESTD-UHFFFAOYSA-N 1 2 227.333 1.456 20 0 BDADLO CCOC1CC([N@H+](C)CC(=O)OC(C)C)C1 ZINC001328793854 973345888 /nfs/dbraw/zinc/34/58/88/973345888.db2.gz QRVMLTWEIJZJGL-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC1CC([N@@H+](C)CC(=O)OC(C)C)C1 ZINC001328793854 973345901 /nfs/dbraw/zinc/34/59/01/973345901.db2.gz QRVMLTWEIJZJGL-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001328993064 973416291 /nfs/dbraw/zinc/41/62/91/973416291.db2.gz QUMAHLGDCGYGAH-VUDBWIFFSA-N 1 2 220.320 1.983 20 0 BDADLO CSc1nccc(COC2C[NH+](C)C2)n1 ZINC001224107783 973448637 /nfs/dbraw/zinc/44/86/37/973448637.db2.gz YHTKRWDVCLZHIB-UHFFFAOYSA-N 1 2 225.317 1.029 20 0 BDADLO Cn1cc(-c2ccc[nH+]c2N)cc(F)c1=O ZINC001243477502 970769400 /nfs/dbraw/zinc/76/94/00/970769400.db2.gz QUXFITIZNYLBOG-UHFFFAOYSA-N 1 2 219.219 1.169 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1C(=O)NCC2 ZINC001243477088 970772925 /nfs/dbraw/zinc/77/29/25/970772925.db2.gz IMPVDWLUZNJIGM-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO Nc1cn[nH+]cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554068 970789325 /nfs/dbraw/zinc/78/93/25/970789325.db2.gz UUUQKFTTXOCWFU-UHFFFAOYSA-N 1 2 244.233 1.818 20 0 BDADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccco1 ZINC001129538227 970855818 /nfs/dbraw/zinc/85/58/18/970855818.db2.gz KQHZMZJQEQXSLF-JTQLQIEISA-N 1 2 247.298 1.476 20 0 BDADLO CCSCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001256614746 970879597 /nfs/dbraw/zinc/87/95/97/970879597.db2.gz PNECYHGVDITPJI-SNVBAGLBSA-N 1 2 241.360 1.704 20 0 BDADLO CN1CC[NH+](CCO[C@@H]2CCCC[C@H]2F)CC1 ZINC001224548934 973767354 /nfs/dbraw/zinc/76/73/54/973767354.db2.gz HYIOFFDKBBLHPG-CHWSQXEVSA-N 1 2 244.354 1.531 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc([C@H]2C[N@H+](C)CCN2C)o1 ZINC001256699023 970926436 /nfs/dbraw/zinc/92/64/36/970926436.db2.gz IMEOHIDALUIPEH-KXUCPTDWSA-N 1 2 236.319 1.111 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc([C@H]2C[N@@H+](C)CCN2C)o1 ZINC001256699023 970926441 /nfs/dbraw/zinc/92/64/41/970926441.db2.gz IMEOHIDALUIPEH-KXUCPTDWSA-N 1 2 236.319 1.111 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257085192 971095267 /nfs/dbraw/zinc/09/52/67/971095267.db2.gz JTUWXAXMRGOCSX-JGPRNRPPSA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001170537184 971120734 /nfs/dbraw/zinc/12/07/34/971120734.db2.gz ULPYZTBZUDNZKF-YTWAJWBKSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001170537184 971120736 /nfs/dbraw/zinc/12/07/36/971120736.db2.gz ULPYZTBZUDNZKF-YTWAJWBKSA-N 1 2 247.285 1.710 20 0 BDADLO COC/C(C)=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131309068 971159593 /nfs/dbraw/zinc/15/95/93/971159593.db2.gz FXAUKTSRODNBQF-JXMROGBWSA-N 1 2 245.282 1.866 20 0 BDADLO CO[C@@H]1CCC[C@H]([NH2+]CC(=O)OC(C)C)C1 ZINC000308758622 971296278 /nfs/dbraw/zinc/29/62/78/971296278.db2.gz COUOWLIKUCMJJX-WDEREUQCSA-N 1 2 229.320 1.485 20 0 BDADLO CCCCCc1nnc([C@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217695250 971331314 /nfs/dbraw/zinc/33/13/14/971331314.db2.gz HVLYMIILWKRYFT-NXEZZACHSA-N 1 2 239.319 1.588 20 0 BDADLO [NH3+][C@H](CO)c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217697229 971333226 /nfs/dbraw/zinc/33/32/26/971333226.db2.gz ZBBPPZSBHHSAJG-LLVKDONJSA-N 1 2 245.282 1.217 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nnc(CC(C)(C)C)o1 ZINC001217697300 971336499 /nfs/dbraw/zinc/33/64/99/971336499.db2.gz FWPJBJKGVOCHLP-ZETCQYMHSA-N 1 2 241.291 1.221 20 0 BDADLO CC(C)(C)OC[C@@H]([NH3+])c1nnc(C2CC2)o1 ZINC001217702020 971340343 /nfs/dbraw/zinc/34/03/43/971340343.db2.gz WDIRTDIBGHJQEP-MRVPVSSYSA-N 1 2 225.292 1.762 20 0 BDADLO CCCCC[C@@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001257508960 971428015 /nfs/dbraw/zinc/42/80/15/971428015.db2.gz MQFHEQIJIDJJEA-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO OC[C@@H](c1nnc(C2CCCC2)o1)n1cc[nH+]c1 ZINC001257525606 971445965 /nfs/dbraw/zinc/44/59/65/971445965.db2.gz YVCMSMCFDYYCGT-JTQLQIEISA-N 1 2 248.286 1.505 20 0 BDADLO F[C@@H]1C[NH+]([C@@H]2CCCSC2)C[C@H]1F ZINC001257671023 971472302 /nfs/dbraw/zinc/47/23/02/971472302.db2.gz KTDXUEQMOUBJLV-IWSPIJDZSA-N 1 2 207.289 1.874 20 0 BDADLO F[C@@H]1C[N@H+]([C@H]2CCCSC2)C[C@@H]1F ZINC001257671025 971473866 /nfs/dbraw/zinc/47/38/66/971473866.db2.gz KTDXUEQMOUBJLV-XHNCKOQMSA-N 1 2 207.289 1.874 20 0 BDADLO F[C@@H]1C[N@@H+]([C@H]2CCCSC2)C[C@@H]1F ZINC001257671025 971473872 /nfs/dbraw/zinc/47/38/72/971473872.db2.gz KTDXUEQMOUBJLV-XHNCKOQMSA-N 1 2 207.289 1.874 20 0 BDADLO O=C1CC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001257908516 971538512 /nfs/dbraw/zinc/53/85/12/971538512.db2.gz LSDVAONICWFQRX-UHFFFAOYSA-N 1 2 209.289 1.220 20 0 BDADLO O=C1CC[N@H+](C2CCC3(COC3)CC2)C1 ZINC001257908516 971538519 /nfs/dbraw/zinc/53/85/19/971538519.db2.gz LSDVAONICWFQRX-UHFFFAOYSA-N 1 2 209.289 1.220 20 0 BDADLO Cc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)nn1 ZINC001133455631 971540786 /nfs/dbraw/zinc/54/07/86/971540786.db2.gz KSJBZZXDNVVQHU-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Nc1cc[nH+]c(O[C@@H]2CCNCC2(F)F)c1 ZINC001218008116 971567991 /nfs/dbraw/zinc/56/79/91/971567991.db2.gz XCHWRCMHLMAMGR-MRVPVSSYSA-N 1 2 229.230 1.040 20 0 BDADLO Cc1c[nH+]c(Nc2ccn(C)c(=O)c2)c(N)c1 ZINC001206077541 971581756 /nfs/dbraw/zinc/58/17/56/971581756.db2.gz KADXLJNXFYAPTI-UHFFFAOYSA-N 1 2 230.271 1.415 20 0 BDADLO CCc1cccnc1O[C@H]1C[NH2+]CC1(F)F ZINC001218236992 971645154 /nfs/dbraw/zinc/64/51/54/971645154.db2.gz LDINQOSCSXZOOD-VIFPVBQESA-N 1 2 228.242 1.630 20 0 BDADLO Nc1cc[nH+]c(OC2CCC(O)CC2)c1 ZINC001218366880 971749772 /nfs/dbraw/zinc/74/97/72/971749772.db2.gz RPLNOEJOAOHZKW-UHFFFAOYSA-N 1 2 208.261 1.346 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2COC(C)(C)C2)CCCC1 ZINC001172272256 974489380 /nfs/dbraw/zinc/48/93/80/974489380.db2.gz WVVNZQNAWCQLGZ-JTQLQIEISA-N 1 2 241.331 1.629 20 0 BDADLO CON(C)C(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000309886091 971875631 /nfs/dbraw/zinc/87/56/31/971875631.db2.gz YHWGYOYLMLBTIN-QMMMGPOBSA-N 1 2 243.332 1.122 20 0 BDADLO FC1(F)COCC[N@@H+]([C@@H]2CCCOCC2)C1 ZINC001170809789 971876937 /nfs/dbraw/zinc/87/69/37/971876937.db2.gz UGOBXDHVJCNCFX-SNVBAGLBSA-N 1 2 235.274 1.523 20 0 BDADLO FC1(F)COCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001170809789 971876944 /nfs/dbraw/zinc/87/69/44/971876944.db2.gz UGOBXDHVJCNCFX-SNVBAGLBSA-N 1 2 235.274 1.523 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccncc1 ZINC000189818004 972012506 /nfs/dbraw/zinc/01/25/06/972012506.db2.gz FKKMXLXATRKICY-BDAKNGLRSA-N 1 2 232.291 1.017 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc[nH]1 ZINC000190820046 972052876 /nfs/dbraw/zinc/05/28/76/972052876.db2.gz IMCZVVGBOKIKNW-GFCCVEGCSA-N 1 2 222.288 1.542 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc[nH]1 ZINC000190820046 972052885 /nfs/dbraw/zinc/05/28/85/972052885.db2.gz IMCZVVGBOKIKNW-GFCCVEGCSA-N 1 2 222.288 1.542 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2CCOC[C@@H]2C)c1C(N)=O ZINC001159710621 972087088 /nfs/dbraw/zinc/08/70/88/972087088.db2.gz IIZCFVROOIYYPS-VHSXEESVSA-N 1 2 249.314 1.326 20 0 BDADLO C[C@@H](C(=O)NCCC1CCC1)n1cc[nH+]c1 ZINC001329889783 972090622 /nfs/dbraw/zinc/09/06/22/972090622.db2.gz AAFLMVGCDNYKSP-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1C[C@@H](C)C(F)(F)F ZINC001208899573 957232170 /nfs/dbraw/zinc/23/21/70/957232170.db2.gz HAVWSRFHSKYLNC-RKDXNWHRSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@@H]1COCC[N@H+]1C[C@@H](C)C(F)(F)F ZINC001208899573 957232177 /nfs/dbraw/zinc/23/21/77/957232177.db2.gz HAVWSRFHSKYLNC-RKDXNWHRSA-N 1 2 241.253 1.532 20 0 BDADLO CC(=O)CC(C)(C)Nc1ccc(N)c[nH+]1 ZINC001160294981 972255341 /nfs/dbraw/zinc/25/53/41/972255341.db2.gz RPJKJSOMHCUDKV-UHFFFAOYSA-N 1 2 207.277 1.833 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@@H]1C[C@@H]1C ZINC001209419241 957425564 /nfs/dbraw/zinc/42/55/64/957425564.db2.gz WJCFHQFHPWHURP-QEYWKRMJSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@@H]1C[C@@H]1C ZINC001209419241 957425571 /nfs/dbraw/zinc/42/55/71/957425571.db2.gz WJCFHQFHPWHURP-QEYWKRMJSA-N 1 2 215.268 1.228 20 0 BDADLO Cn1nc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001209542172 957496849 /nfs/dbraw/zinc/49/68/49/957496849.db2.gz IIVVGAONNNTWDE-QWRGUYRKSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1nc2ccccc2c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001209542172 957496863 /nfs/dbraw/zinc/49/68/63/957496863.db2.gz IIVVGAONNNTWDE-QWRGUYRKSA-N 1 2 243.310 1.546 20 0 BDADLO C[C@H](OCC[NH+]1CCOCC1)C1CCOCC1 ZINC001210192769 957664247 /nfs/dbraw/zinc/66/42/47/957664247.db2.gz YVCCOGIFBHWMQL-LBPRGKRZSA-N 1 2 243.347 1.150 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCC=CO1)Cn1cc[nH+]c1 ZINC001136892734 972296038 /nfs/dbraw/zinc/29/60/38/972296038.db2.gz IFEURHBYGOYXQG-RYUDHWBXSA-N 1 2 249.314 1.328 20 0 BDADLO CC1(C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001136894064 972298007 /nfs/dbraw/zinc/29/80/07/972298007.db2.gz MJRFHZPBXNSBHF-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO Cc1n[nH]c(C)c1CN1CC[NH2+]CC(F)(F)C1 ZINC001210814763 957911848 /nfs/dbraw/zinc/91/18/48/957911848.db2.gz IQBYUUCYMVQEOY-UHFFFAOYSA-N 1 2 244.289 1.067 20 0 BDADLO Clc1cncc(C[NH+]2CC3(C2)CCOC3)c1 ZINC001136988647 972313633 /nfs/dbraw/zinc/31/36/33/972313633.db2.gz KUMQXFXFPHWDSL-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO OC1C[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000291505283 958120437 /nfs/dbraw/zinc/12/04/37/958120437.db2.gz WCJLVXQIBPKYNF-UHFFFAOYSA-N 1 2 229.283 1.253 20 0 BDADLO O[C@H]1C[N@H+](Cc2nccs2)CC[C@@H]1F ZINC001204544838 958123325 /nfs/dbraw/zinc/12/33/25/958123325.db2.gz JLBSVNLBFFYZIB-YUMQZZPRSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@H]1C[N@@H+](Cc2nccs2)CC[C@@H]1F ZINC001204544838 958123328 /nfs/dbraw/zinc/12/33/28/958123328.db2.gz JLBSVNLBFFYZIB-YUMQZZPRSA-N 1 2 216.281 1.048 20 0 BDADLO c1cc(C[N@@H+]2CCc3cnccc3C2)ncn1 ZINC001140344514 958253058 /nfs/dbraw/zinc/25/30/58/958253058.db2.gz CGLISFFGQMJCOH-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1cc(C[N@H+]2CCc3cnccc3C2)ncn1 ZINC001140344514 958253076 /nfs/dbraw/zinc/25/30/76/958253076.db2.gz CGLISFFGQMJCOH-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO CC1(C)C[N@H+](Cc2ccncn2)CCO1 ZINC001140346413 958256793 /nfs/dbraw/zinc/25/67/93/958256793.db2.gz QTEDLCXBFYZELY-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccncn2)CCO1 ZINC001140346413 958256804 /nfs/dbraw/zinc/25/68/04/958256804.db2.gz QTEDLCXBFYZELY-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)cn1 ZINC001137031909 972337411 /nfs/dbraw/zinc/33/74/11/972337411.db2.gz PFLSRTAWCAQXKA-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)cn1 ZINC001137031909 972337414 /nfs/dbraw/zinc/33/74/14/972337414.db2.gz PFLSRTAWCAQXKA-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO CC1CCC(N[C@@H]2C[NH2+]CC2(F)F)CC1 ZINC001246466083 972342384 /nfs/dbraw/zinc/34/23/84/972342384.db2.gz VKPNAHPNKIFABB-UDNWOFFPSA-N 1 2 218.291 1.762 20 0 BDADLO CC1CCC([NH2+][C@@H]2CNCC2(F)F)CC1 ZINC001246466083 972342388 /nfs/dbraw/zinc/34/23/88/972342388.db2.gz VKPNAHPNKIFABB-UDNWOFFPSA-N 1 2 218.291 1.762 20 0 BDADLO CCC(=CC(=O)NCc1c[nH+]cn1C)CC ZINC000291188565 958711670 /nfs/dbraw/zinc/71/16/70/958711670.db2.gz CQROPTSDGPMXAG-UHFFFAOYSA-N 1 2 221.304 1.783 20 0 BDADLO C[C@@H](OCCn1cc[nH+]c1)C(F)(F)F ZINC001222135068 972373133 /nfs/dbraw/zinc/37/31/33/972373133.db2.gz VDYSQCOEOJHVAO-SSDOTTSWSA-N 1 2 208.183 1.851 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000588484847 958748777 /nfs/dbraw/zinc/74/87/77/958748777.db2.gz QMZDKKOGUJLZRT-BRPGZNNISA-N 1 2 217.696 1.230 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000588484847 958748794 /nfs/dbraw/zinc/74/87/94/958748794.db2.gz QMZDKKOGUJLZRT-BRPGZNNISA-N 1 2 217.696 1.230 20 0 BDADLO COC(C[C@H](C)OCCn1cc[nH+]c1)OC ZINC001222134473 972385182 /nfs/dbraw/zinc/38/51/82/972385182.db2.gz DEHGWVNNFYPHNF-JTQLQIEISA-N 1 2 228.292 1.297 20 0 BDADLO COC1=CC[C@@H](OCCn2cc[nH+]c2)CC1 ZINC001222139716 972386335 /nfs/dbraw/zinc/38/63/35/972386335.db2.gz UXTLJRFHARRRKS-GFCCVEGCSA-N 1 2 222.288 1.983 20 0 BDADLO C[C@H]1C[C@H](OCCn2cc[nH+]c2)CCO1 ZINC001222139827 972389080 /nfs/dbraw/zinc/38/90/80/972389080.db2.gz XRKJBHDZFCCVNE-WDEREUQCSA-N 1 2 210.277 1.467 20 0 BDADLO CC(C)(CNc1cc2cc[nH]c2c[nH+]1)C(N)=O ZINC001167600049 959019405 /nfs/dbraw/zinc/01/94/05/959019405.db2.gz DEEIUFBSUXKBQM-UHFFFAOYSA-N 1 2 232.287 1.486 20 0 BDADLO Nc1cc(CNc2nnccc2Cl)cc[nH+]1 ZINC001167614448 959067564 /nfs/dbraw/zinc/06/75/64/959067564.db2.gz RXZZYEFXDPVZTL-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Nc1cc(CNc2cncnc2C2CC2)cc[nH+]1 ZINC001167616660 959077509 /nfs/dbraw/zinc/07/75/09/959077509.db2.gz LVHQSIXYJYHZSO-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO Cn1cnc(NCc2cc[nH+]c(N)c2)c1 ZINC001167617195 959084722 /nfs/dbraw/zinc/08/47/22/959084722.db2.gz IZAVDOVFIGLFBE-UHFFFAOYSA-N 1 2 203.249 1.009 20 0 BDADLO Nc1cc(CNc2cncnc2)cc[nH+]1 ZINC001167617579 959084846 /nfs/dbraw/zinc/08/48/46/959084846.db2.gz QAJMNXCMJOLEBU-UHFFFAOYSA-N 1 2 201.233 1.066 20 0 BDADLO CNc1cc(N(C)CC(C)(C)OC)nc[nH+]1 ZINC000404265494 959197883 /nfs/dbraw/zinc/19/78/83/959197883.db2.gz UUXXESSHJDNJAT-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO CNc1cc(N(C)CC(C)(C)OC)[nH+]cn1 ZINC000404265494 959197894 /nfs/dbraw/zinc/19/78/94/959197894.db2.gz UUXXESSHJDNJAT-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO C[C@@H](C(=O)NCCCC1CC1)n1cc[nH+]c1 ZINC001327111910 972414992 /nfs/dbraw/zinc/41/49/92/972414992.db2.gz GIPWFGSQCZEQTJ-JTQLQIEISA-N 1 2 221.304 1.751 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000724707451 959283726 /nfs/dbraw/zinc/28/37/26/959283726.db2.gz DMEBMTQJYSIPFZ-SFYZADRCSA-N 1 2 220.263 1.370 20 0 BDADLO C[C@@H]1C[C@H](C)CCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724745955 959355735 /nfs/dbraw/zinc/35/57/35/959355735.db2.gz NIBGRXRYYWWIGO-BBBLOLIVSA-N 1 2 248.317 1.864 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@H](C)C1 ZINC000724754577 959363142 /nfs/dbraw/zinc/36/31/42/959363142.db2.gz CYPBZQJYLJLIOZ-IMSYWVGJSA-N 1 2 248.317 1.910 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H]1C ZINC000724750406 959367580 /nfs/dbraw/zinc/36/75/80/959367580.db2.gz DNNSEOTVBVLPDG-HRDYMLBCSA-N 1 2 234.290 1.616 20 0 BDADLO Cc1[nH]c(CN2CCOCC2(C)C)c[nH+]1 ZINC000724782820 959488923 /nfs/dbraw/zinc/48/89/23/959488923.db2.gz NOSKBGWQCWAUIW-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]cc(CN2CCOCC2(C)C)[nH+]1 ZINC000724782820 959488929 /nfs/dbraw/zinc/48/89/29/959488929.db2.gz NOSKBGWQCWAUIW-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724782528 959489855 /nfs/dbraw/zinc/48/98/55/959489855.db2.gz GBFKIDXVRMXMGC-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC000724782528 959489862 /nfs/dbraw/zinc/48/98/62/959489862.db2.gz GBFKIDXVRMXMGC-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000724782528 959489867 /nfs/dbraw/zinc/48/98/67/959489867.db2.gz GBFKIDXVRMXMGC-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC000724782528 959489874 /nfs/dbraw/zinc/48/98/74/959489874.db2.gz GBFKIDXVRMXMGC-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1ccc(CO)o1 ZINC001140684001 959515317 /nfs/dbraw/zinc/51/53/17/959515317.db2.gz DAQPCWPDQISIRX-UHFFFAOYSA-N 1 2 222.244 1.392 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1ccc(CO)o1 ZINC001140684001 959515323 /nfs/dbraw/zinc/51/53/23/959515323.db2.gz DAQPCWPDQISIRX-UHFFFAOYSA-N 1 2 222.244 1.392 20 0 BDADLO C/C=C(\C)C(=O)NCCOc1cc[nH+]cc1 ZINC001143951563 972441496 /nfs/dbraw/zinc/44/14/96/972441496.db2.gz OZHWTXMMWREAHZ-XCVCLJGOSA-N 1 2 220.272 1.543 20 0 BDADLO COc1cc2c(cc1O[C@H]1C[C@H](O)C1)C=[NH+]CC2 ZINC001218360810 959996437 /nfs/dbraw/zinc/99/64/37/959996437.db2.gz TZRZHFBLBCMFNQ-HAQNSBGRSA-N 1 2 247.294 1.572 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1C ZINC001140863076 959999717 /nfs/dbraw/zinc/99/97/17/959999717.db2.gz WZYGXWKIUPGCKJ-LLVKDONJSA-N 1 2 249.314 1.268 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1C ZINC001140863076 959999732 /nfs/dbraw/zinc/99/97/32/959999732.db2.gz WZYGXWKIUPGCKJ-LLVKDONJSA-N 1 2 249.314 1.268 20 0 BDADLO CC(=O)N(C)CCC[N@H+](C)Cc1nccs1 ZINC001327171840 972479645 /nfs/dbraw/zinc/47/96/45/972479645.db2.gz HOTVGPGAARIHJS-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CC(=O)N(C)CCC[N@@H+](C)Cc1nccs1 ZINC001327171840 972479653 /nfs/dbraw/zinc/47/96/53/972479653.db2.gz HOTVGPGAARIHJS-UHFFFAOYSA-N 1 2 241.360 1.443 20 0 BDADLO CCC(CC)[C@H](C)C(=O)NC1C[NH+](CC)C1 ZINC001267651469 960170896 /nfs/dbraw/zinc/17/08/96/960170896.db2.gz ZMSOIYOMLUMEQV-JTQLQIEISA-N 1 2 226.364 1.879 20 0 BDADLO Cc1cc(CO[C@H](C)C[NH+]2CCOCC2)on1 ZINC001222444521 972489732 /nfs/dbraw/zinc/48/97/32/972489732.db2.gz ZNWDZGJGUMHOMK-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO Cc1cc(C[NH2+]CCC[NH+](C)C)oc1C(=O)[O-] ZINC000232443021 960272966 /nfs/dbraw/zinc/27/29/66/960272966.db2.gz XMKUIDUYRWYQLS-UHFFFAOYSA-N 1 2 240.303 1.328 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@]12CCOC2 ZINC001327225296 972510890 /nfs/dbraw/zinc/51/08/90/972510890.db2.gz WHENVXLJOLQTGG-SNVBAGLBSA-N 1 2 225.317 1.211 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@]12CCOC2 ZINC001327225296 972510903 /nfs/dbraw/zinc/51/09/03/972510903.db2.gz WHENVXLJOLQTGG-SNVBAGLBSA-N 1 2 225.317 1.211 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3occc3C2)o1 ZINC001140683333 960490952 /nfs/dbraw/zinc/49/09/52/960490952.db2.gz WWHPQKBWJMBIKN-UHFFFAOYSA-N 1 2 233.267 1.923 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3occc3C2)o1 ZINC001140683333 960490961 /nfs/dbraw/zinc/49/09/61/960490961.db2.gz WWHPQKBWJMBIKN-UHFFFAOYSA-N 1 2 233.267 1.923 20 0 BDADLO COc1nccc(C[N@@H+]2CCCC[C@H](F)C2)n1 ZINC001140690941 960495812 /nfs/dbraw/zinc/49/58/12/960495812.db2.gz PVXNKPBQGWIGHT-JTQLQIEISA-N 1 2 239.294 1.809 20 0 BDADLO COc1nccc(C[N@H+]2CCCC[C@H](F)C2)n1 ZINC001140690941 960495823 /nfs/dbraw/zinc/49/58/23/960495823.db2.gz PVXNKPBQGWIGHT-JTQLQIEISA-N 1 2 239.294 1.809 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001203059129 960527887 /nfs/dbraw/zinc/52/78/87/960527887.db2.gz DERCOMRYYCNDEQ-QWRGUYRKSA-N 1 2 221.304 1.010 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001203059129 960527898 /nfs/dbraw/zinc/52/78/98/960527898.db2.gz DERCOMRYYCNDEQ-QWRGUYRKSA-N 1 2 221.304 1.010 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)n[nH]1 ZINC001203067204 960577320 /nfs/dbraw/zinc/57/73/20/960577320.db2.gz MQAXNAQLQOFICH-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@@H]2CO)n[nH]1 ZINC001203067204 960577331 /nfs/dbraw/zinc/57/73/31/960577331.db2.gz MQAXNAQLQOFICH-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCn3nccc3C2)c1C ZINC001140863669 960647772 /nfs/dbraw/zinc/64/77/72/960647772.db2.gz ALJTWFLIDSCJNF-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCn3nccc3C2)c1C ZINC001140863669 960647779 /nfs/dbraw/zinc/64/77/79/960647779.db2.gz ALJTWFLIDSCJNF-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Nc1cccc(F)c1C[N@@H+]1CC[C@](F)(CO)C1 ZINC001140873112 960662663 /nfs/dbraw/zinc/66/26/63/960662663.db2.gz UDKANDVTAFQFMX-GFCCVEGCSA-N 1 2 242.269 1.314 20 0 BDADLO Nc1cccc(F)c1C[N@H+]1CC[C@](F)(CO)C1 ZINC001140873112 960662670 /nfs/dbraw/zinc/66/26/70/960662670.db2.gz UDKANDVTAFQFMX-GFCCVEGCSA-N 1 2 242.269 1.314 20 0 BDADLO Cn1c[nH+]cc1COC[C@H]1Cc2ccccc2O1 ZINC001222593952 960721277 /nfs/dbraw/zinc/72/12/77/960721277.db2.gz ABZLLNGSQXLNSK-CYBMUJFWSA-N 1 2 244.294 1.940 20 0 BDADLO Cc1nccnc1CN1CCc2[nH+]ccn2CC1 ZINC001140938508 960728088 /nfs/dbraw/zinc/72/80/88/960728088.db2.gz WGTUPLGMKQWQIT-UHFFFAOYSA-N 1 2 243.314 1.040 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)n[nH]1 ZINC001203081100 960736367 /nfs/dbraw/zinc/73/63/67/960736367.db2.gz KJTQSCNWSPUVRX-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO Cc1cc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)n[nH]1 ZINC001203081100 960736375 /nfs/dbraw/zinc/73/63/75/960736375.db2.gz KJTQSCNWSPUVRX-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001203081489 960744219 /nfs/dbraw/zinc/74/42/19/960744219.db2.gz VNNOAVDBMLPGHF-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001203081489 960744237 /nfs/dbraw/zinc/74/42/37/960744237.db2.gz VNNOAVDBMLPGHF-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CSCCC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001144058923 972531030 /nfs/dbraw/zinc/53/10/30/972531030.db2.gz JVTUZMWDGRTHND-UHFFFAOYSA-N 1 2 227.333 1.130 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCn3ccnc32)cn1 ZINC000711131682 960760520 /nfs/dbraw/zinc/76/05/20/960760520.db2.gz VGKWBNGXDNGQDC-NSHDSACASA-N 1 2 231.303 1.334 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)n[nH]1 ZINC001203082769 960771851 /nfs/dbraw/zinc/77/18/51/960771851.db2.gz YIFRKWJZYQXROZ-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](c3nc(C)no3)C2)n[nH]1 ZINC001203082769 960771871 /nfs/dbraw/zinc/77/18/71/960771871.db2.gz YIFRKWJZYQXROZ-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csnn2)CC[C@@]1(C)O ZINC001140992562 960783280 /nfs/dbraw/zinc/78/32/80/960783280.db2.gz KDQKIOJPLAGUAE-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csnn2)CC[C@@]1(C)O ZINC001140992562 960783298 /nfs/dbraw/zinc/78/32/98/960783298.db2.gz KDQKIOJPLAGUAE-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO Oc1c(F)cc(C[N@H+]2CCC[C@@H](O)C2)cc1F ZINC001140989793 960783679 /nfs/dbraw/zinc/78/36/79/960783679.db2.gz VAJPLSOVABRHSK-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1c(F)cc(C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC001140989793 960783693 /nfs/dbraw/zinc/78/36/93/960783693.db2.gz VAJPLSOVABRHSK-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csnn2)C2(CC2)C1 ZINC001140999424 960795702 /nfs/dbraw/zinc/79/57/02/960795702.db2.gz ZEXLNDHYQQJCAG-QMMMGPOBSA-N 1 2 209.318 1.913 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csnn2)C2(CC2)C1 ZINC001140999424 960795742 /nfs/dbraw/zinc/79/57/42/960795742.db2.gz ZEXLNDHYQQJCAG-QMMMGPOBSA-N 1 2 209.318 1.913 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C(F)(F)F)CC1 ZINC001141006360 960805928 /nfs/dbraw/zinc/80/59/28/960805928.db2.gz PTUHIRGQAYYETG-UHFFFAOYSA-N 1 2 247.220 1.472 20 0 BDADLO c1coc(C[N@@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC001141007312 960807600 /nfs/dbraw/zinc/80/76/00/960807600.db2.gz HIZDZWWXFAGABD-JTQLQIEISA-N 1 2 233.275 1.103 20 0 BDADLO c1coc(C[N@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC001141007312 960807601 /nfs/dbraw/zinc/80/76/01/960807601.db2.gz HIZDZWWXFAGABD-JTQLQIEISA-N 1 2 233.275 1.103 20 0 BDADLO c1coc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)n1 ZINC001141012356 960817223 /nfs/dbraw/zinc/81/72/23/960817223.db2.gz IZHRLPOPRZUOKN-JTQLQIEISA-N 1 2 246.270 1.118 20 0 BDADLO c1coc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)n1 ZINC001141012356 960817226 /nfs/dbraw/zinc/81/72/26/960817226.db2.gz IZHRLPOPRZUOKN-JTQLQIEISA-N 1 2 246.270 1.118 20 0 BDADLO C[N@H+](Cc1ccc2cccc(O)c2n1)C1COC1 ZINC001141023470 960822611 /nfs/dbraw/zinc/82/26/11/960822611.db2.gz LZXNDCXPZDYAIR-UHFFFAOYSA-N 1 2 244.294 1.771 20 0 BDADLO C[N@@H+](Cc1ccc2cccc(O)c2n1)C1COC1 ZINC001141023470 960822612 /nfs/dbraw/zinc/82/26/12/960822612.db2.gz LZXNDCXPZDYAIR-UHFFFAOYSA-N 1 2 244.294 1.771 20 0 BDADLO COc1cccc(COC2C[NH+](C)C2)c1OC ZINC001222844655 960823716 /nfs/dbraw/zinc/82/37/16/960823716.db2.gz QOUKOCCOYKAHQX-UHFFFAOYSA-N 1 2 237.299 1.534 20 0 BDADLO O[C@@H]1CCN(Cc2ccn3cc[nH+]c3c2)C[C@@H]1F ZINC001141047499 960835688 /nfs/dbraw/zinc/83/56/88/960835688.db2.gz KBCJADQECMZDGZ-NWDGAFQWSA-N 1 2 249.289 1.239 20 0 BDADLO COc1c(C)cnc(COC2C[NH+](C)C2)c1C ZINC001222898725 960838708 /nfs/dbraw/zinc/83/87/08/960838708.db2.gz BSJYMKWKKDZXAI-UHFFFAOYSA-N 1 2 236.315 1.538 20 0 BDADLO c1cn2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)cc2n1 ZINC001141051336 960843300 /nfs/dbraw/zinc/84/33/00/960843300.db2.gz ZISOJPIXTJDRMK-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)cc2n1 ZINC001141051336 960843307 /nfs/dbraw/zinc/84/33/07/960843307.db2.gz ZISOJPIXTJDRMK-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2ccc(CN3C[C@H]4CC[C@@H]3CO4)cc2[nH+]1 ZINC001141051336 960843317 /nfs/dbraw/zinc/84/33/17/960843317.db2.gz ZISOJPIXTJDRMK-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO CCCCc1ncc(C[NH+]2CCC(O)CC2)[nH]1 ZINC001141067158 960852400 /nfs/dbraw/zinc/85/24/00/960852400.db2.gz UTBKVQQVGUGAJO-UHFFFAOYSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1nc(C[NH+]2CCC(O)CC2)c[nH]1 ZINC001141067158 960852403 /nfs/dbraw/zinc/85/24/03/960852403.db2.gz UTBKVQQVGUGAJO-UHFFFAOYSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1[nH]c(CN2C[C@H]3C[C@@H](C2)O3)c[nH+]1 ZINC001141072190 960863491 /nfs/dbraw/zinc/86/34/91/960863491.db2.gz RMPWIVALTVTJRH-TXEJJXNPSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]cc(CN2C[C@H]3C[C@@H](C2)O3)[nH+]1 ZINC001141072190 960863500 /nfs/dbraw/zinc/86/35/00/960863500.db2.gz RMPWIVALTVTJRH-TXEJJXNPSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]c(CN(C)C2(C)COC2)c[nH+]1 ZINC001141072136 960863678 /nfs/dbraw/zinc/86/36/78/960863678.db2.gz PDZVERFQOMSZRU-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]cc(CN(C)C2(C)COC2)[nH+]1 ZINC001141072136 960863694 /nfs/dbraw/zinc/86/36/94/960863694.db2.gz PDZVERFQOMSZRU-UHFFFAOYSA-N 1 2 237.347 1.973 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)co1 ZINC001141126624 960870491 /nfs/dbraw/zinc/87/04/91/960870491.db2.gz PVMWYHKKVACVGB-JQWIXIFHSA-N 1 2 222.288 1.676 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)co1 ZINC001141126624 960870496 /nfs/dbraw/zinc/87/04/96/960870496.db2.gz PVMWYHKKVACVGB-JQWIXIFHSA-N 1 2 222.288 1.676 20 0 BDADLO FC1CN(C2CC[NH+](Cc3cocn3)CC2)C1 ZINC001141129446 960876869 /nfs/dbraw/zinc/87/68/69/960876869.db2.gz IJSNICWLSXXDLE-UHFFFAOYSA-N 1 2 239.294 1.293 20 0 BDADLO CC1(C)C[NH+](Cc2cn3c(n2)COCC3)C1 ZINC001141525749 961088053 /nfs/dbraw/zinc/08/80/53/961088053.db2.gz RSNXWNVMACLXGS-UHFFFAOYSA-N 1 2 221.304 1.255 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccoc2)n1C ZINC000122236714 961107634 /nfs/dbraw/zinc/10/76/34/961107634.db2.gz CVWMLUUJQSSHSO-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC001141737832 961146452 /nfs/dbraw/zinc/14/64/52/961146452.db2.gz JXISSDNSIINUTL-MDZLAQPJSA-N 1 2 245.326 1.662 20 0 BDADLO Clc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)nn1 ZINC001142073451 961240938 /nfs/dbraw/zinc/24/09/38/961240938.db2.gz OZVIQVNHLSTHJE-WCBMZHEXSA-N 1 2 239.706 1.351 20 0 BDADLO Clc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)nn1 ZINC001142073451 961240961 /nfs/dbraw/zinc/24/09/61/961240961.db2.gz OZVIQVNHLSTHJE-WCBMZHEXSA-N 1 2 239.706 1.351 20 0 BDADLO Cc1c[nH]c(CCNC(=O)Cc2cccnc2)[nH+]1 ZINC001142148120 961282793 /nfs/dbraw/zinc/28/27/93/961282793.db2.gz GHEGGWOGZYLYMZ-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CCc1cc(C[NH+]2CC3(COC3)C2)on1 ZINC001203211427 961303458 /nfs/dbraw/zinc/30/34/58/961303458.db2.gz CHEULGZNFVIBPI-UHFFFAOYSA-N 1 2 208.261 1.069 20 0 BDADLO [NH2+]=CNc1cccc(OC(F)(F)F)n1 ZINC001167864414 961340815 /nfs/dbraw/zinc/34/08/15/961340815.db2.gz MLQDNFRKKCLQPM-UHFFFAOYSA-N 1 2 205.139 1.999 20 0 BDADLO CCOC(=O)Cc1cccc(NC=[NH2+])n1 ZINC001167866759 961348357 /nfs/dbraw/zinc/34/83/57/961348357.db2.gz DMEGEOUIXHQRKU-UHFFFAOYSA-N 1 2 207.233 1.206 20 0 BDADLO CCCOCCNc1ccc(N(C)C)c[nH+]1 ZINC001167874502 961401793 /nfs/dbraw/zinc/40/17/93/961401793.db2.gz CYUDVMYTSFJMHT-UHFFFAOYSA-N 1 2 223.320 1.986 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2ccncc2)n1 ZINC001203161909 961417361 /nfs/dbraw/zinc/41/73/61/961417361.db2.gz OWZGPQRDONLZAQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2ccncc2)n1 ZINC001203161909 961417367 /nfs/dbraw/zinc/41/73/67/961417367.db2.gz OWZGPQRDONLZAQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CCC[NH+]1CC(NC(=O)[C@@H](CC)SC)C1 ZINC001268280267 961533788 /nfs/dbraw/zinc/53/37/88/961533788.db2.gz HYSNOJLRSMNONQ-SNVBAGLBSA-N 1 2 230.377 1.338 20 0 BDADLO CC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001142694347 961628387 /nfs/dbraw/zinc/62/83/87/961628387.db2.gz UOCQEWAAGYVDKR-UHFFFAOYSA-N 1 2 229.239 1.400 20 0 BDADLO CCN1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001203124685 961796793 /nfs/dbraw/zinc/79/67/93/961796793.db2.gz UTQROZIGUGKHGU-UHFFFAOYSA-N 1 2 246.314 1.360 20 0 BDADLO COc1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001225215509 961874939 /nfs/dbraw/zinc/87/49/39/961874939.db2.gz NLTRSJSSCYDKHO-NSHDSACASA-N 1 2 237.299 1.405 20 0 BDADLO COc1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001225215509 961874941 /nfs/dbraw/zinc/87/49/41/961874941.db2.gz NLTRSJSSCYDKHO-NSHDSACASA-N 1 2 237.299 1.405 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1Cc1cccc2n[nH]cc21 ZINC001143088985 961876971 /nfs/dbraw/zinc/87/69/71/961876971.db2.gz GYLLGMJVJYNECE-LBPRGKRZSA-N 1 2 245.282 1.310 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1Cc1cccc2n[nH]cc21 ZINC001143088985 961876973 /nfs/dbraw/zinc/87/69/73/961876973.db2.gz GYLLGMJVJYNECE-LBPRGKRZSA-N 1 2 245.282 1.310 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(N)n1 ZINC001143197034 961927300 /nfs/dbraw/zinc/92/73/00/961927300.db2.gz GHRLUSQFAZKALV-SRVKXCTJSA-N 1 2 235.306 1.762 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(N)n1 ZINC001143197034 961927330 /nfs/dbraw/zinc/92/73/30/961927330.db2.gz GHRLUSQFAZKALV-SRVKXCTJSA-N 1 2 235.306 1.762 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(N)n1 ZINC001143207997 961941086 /nfs/dbraw/zinc/94/10/86/961941086.db2.gz NREUZHZIHWKGAB-ZDUSSCGKSA-N 1 2 247.342 1.583 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(N)n1 ZINC001143207997 961941109 /nfs/dbraw/zinc/94/11/09/961941109.db2.gz NREUZHZIHWKGAB-ZDUSSCGKSA-N 1 2 247.342 1.583 20 0 BDADLO Cc1nnc(C[NH+]2CC([C@@H]3CCOC3)C2)s1 ZINC000894148725 961971607 /nfs/dbraw/zinc/97/16/07/961971607.db2.gz LCDDKPZGIPFXQI-SECBINFHSA-N 1 2 239.344 1.315 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccccc1F ZINC001149162937 962040393 /nfs/dbraw/zinc/04/03/93/962040393.db2.gz FBALQEDUHXCIBC-LLVKDONJSA-N 1 2 245.257 1.897 20 0 BDADLO CC(C)(C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150701662 962197932 /nfs/dbraw/zinc/19/79/32/962197932.db2.gz NZCIBGQPXZCXPU-UHFFFAOYSA-N 1 2 233.315 1.595 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccns2)CCC1=O ZINC000710013845 962215690 /nfs/dbraw/zinc/21/56/90/962215690.db2.gz HTGZQZRKJUQJBB-VIFPVBQESA-N 1 2 224.329 1.597 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccns2)CCC1=O ZINC000710013845 962215700 /nfs/dbraw/zinc/21/57/00/962215700.db2.gz HTGZQZRKJUQJBB-VIFPVBQESA-N 1 2 224.329 1.597 20 0 BDADLO CC[N@H+](Cc1ccon1)[C@H](C)CNC(C)=O ZINC001151424971 962278377 /nfs/dbraw/zinc/27/83/77/962278377.db2.gz KFKMAPVBSMALPD-SECBINFHSA-N 1 2 225.292 1.021 20 0 BDADLO CC[N@@H+](Cc1ccon1)[C@H](C)CNC(C)=O ZINC001151424971 962278399 /nfs/dbraw/zinc/27/83/99/962278399.db2.gz KFKMAPVBSMALPD-SECBINFHSA-N 1 2 225.292 1.021 20 0 BDADLO CCC1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001269061733 962437503 /nfs/dbraw/zinc/43/75/03/962437503.db2.gz NUIZJXUZSFLSFK-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO CCC1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001269061733 962437514 /nfs/dbraw/zinc/43/75/14/962437514.db2.gz NUIZJXUZSFLSFK-JTQLQIEISA-N 1 2 228.311 1.337 20 0 BDADLO CC(C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001269201256 962517263 /nfs/dbraw/zinc/51/72/63/962517263.db2.gz UUOFIJUVGYEMLK-ZDUSSCGKSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001269201256 962517295 /nfs/dbraw/zinc/51/72/95/962517295.db2.gz UUOFIJUVGYEMLK-ZDUSSCGKSA-N 1 2 247.342 1.428 20 0 BDADLO COc1cccc(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001269727588 962769396 /nfs/dbraw/zinc/76/93/96/962769396.db2.gz SDLFUIBIDNZIEX-UHFFFAOYSA-N 1 2 246.310 1.225 20 0 BDADLO COc1cccc(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001269727588 962769414 /nfs/dbraw/zinc/76/94/14/962769414.db2.gz SDLFUIBIDNZIEX-UHFFFAOYSA-N 1 2 246.310 1.225 20 0 BDADLO O=C(NCCCC(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001154442588 962784111 /nfs/dbraw/zinc/78/41/11/962784111.db2.gz MFNVGDXHYGNUCP-HTQZYQBOSA-N 1 2 243.257 1.675 20 0 BDADLO O=C(NCCCC(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001154442588 962784125 /nfs/dbraw/zinc/78/41/25/962784125.db2.gz MFNVGDXHYGNUCP-HTQZYQBOSA-N 1 2 243.257 1.675 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc3ccncc3c2)C1 ZINC001154599699 962807184 /nfs/dbraw/zinc/80/71/84/962807184.db2.gz LMHHLHKUACOGNR-UHFFFAOYSA-N 1 2 241.294 1.279 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)o1 ZINC001270135679 962882406 /nfs/dbraw/zinc/88/24/06/962882406.db2.gz OBELMXNBGIHKID-UHFFFAOYSA-N 1 2 220.272 1.118 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)o1 ZINC001270135679 962882409 /nfs/dbraw/zinc/88/24/09/962882409.db2.gz OBELMXNBGIHKID-UHFFFAOYSA-N 1 2 220.272 1.118 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2ncc(C3CC3)cn2)C1 ZINC001155196557 963018975 /nfs/dbraw/zinc/01/89/75/963018975.db2.gz OJCYEXXNLXMAOS-LBPRGKRZSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2ncc(C3CC3)cn2)C1 ZINC001155196557 963018983 /nfs/dbraw/zinc/01/89/83/963018983.db2.gz OJCYEXXNLXMAOS-LBPRGKRZSA-N 1 2 248.330 1.097 20 0 BDADLO O=c1[nH]nccc1Nc1ccn2cc[nH+]c2c1 ZINC001204966459 963022415 /nfs/dbraw/zinc/02/24/15/963022415.db2.gz TXVKENULPBTQBJ-UHFFFAOYSA-N 1 2 227.227 1.574 20 0 BDADLO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ncco1 ZINC000925082623 963080209 /nfs/dbraw/zinc/08/02/09/963080209.db2.gz LVBNEHYLWHTNDO-JDNHERCYSA-N 1 2 244.360 1.872 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc(C)cc(F)c2)C1 ZINC001143580234 963150891 /nfs/dbraw/zinc/15/08/91/963150891.db2.gz BBJIALFHGBQCKG-UHFFFAOYSA-N 1 2 237.274 1.739 20 0 BDADLO N[C@@H]1C[N@H+](Cc2cccc(O)c2)CCC1(F)F ZINC001206657982 963153995 /nfs/dbraw/zinc/15/39/95/963153995.db2.gz SNAMQQWOHBMUNC-LLVKDONJSA-N 1 2 242.269 1.561 20 0 BDADLO N[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCC1(F)F ZINC001206657982 963154001 /nfs/dbraw/zinc/15/40/01/963154001.db2.gz SNAMQQWOHBMUNC-LLVKDONJSA-N 1 2 242.269 1.561 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@@H]1CCC(=O)N(C)C1 ZINC001156568008 963384104 /nfs/dbraw/zinc/38/41/04/963384104.db2.gz NWPGUGPYYIVFIZ-SNVBAGLBSA-N 1 2 249.314 1.431 20 0 BDADLO Nc1cc(Cl)[nH+]c(NCc2cncnc2)c1 ZINC001156572498 963388026 /nfs/dbraw/zinc/38/80/26/963388026.db2.gz NCTRIHKDQRXDLC-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2cnnn2C)on1 ZINC000925129500 963442043 /nfs/dbraw/zinc/44/20/43/963442043.db2.gz OXBRQUKDGLVBHB-QMMMGPOBSA-N 1 2 235.291 1.216 20 0 BDADLO Cc1nnc(NCc2cc[nH+]c(N)c2)nc1C ZINC001156764213 963458138 /nfs/dbraw/zinc/45/81/38/963458138.db2.gz XTPCJADRGXDWNC-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO CC(C)N(C)C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156963674 963500889 /nfs/dbraw/zinc/50/08/89/963500889.db2.gz DIKZHGDHRLZRMJ-UHFFFAOYSA-N 1 2 232.287 1.626 20 0 BDADLO COc1cc2ncnc(NC=[NH2+])c2cc1OC ZINC001157073496 963521104 /nfs/dbraw/zinc/52/11/04/963521104.db2.gz OETFWGZOSYKEPJ-UHFFFAOYSA-N 1 2 232.243 1.666 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2C(C)C)[nH+]c1C ZINC000896914266 963526651 /nfs/dbraw/zinc/52/66/51/963526651.db2.gz WUIYQGJWQPMFNZ-MNOVXSKESA-N 1 2 235.331 1.935 20 0 BDADLO CC(C)(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000909570825 963532358 /nfs/dbraw/zinc/53/23/58/963532358.db2.gz HXTBPZVAUSYQIL-UHFFFAOYSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H]2C[C@H](F)C2)[nH+]1 ZINC001157456691 963613848 /nfs/dbraw/zinc/61/38/48/963613848.db2.gz LYDSJTUPHIGNCY-KYZUINATSA-N 1 2 239.298 1.406 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1cc(C)cnn1 ZINC001157459875 963621625 /nfs/dbraw/zinc/62/16/25/963621625.db2.gz LSKPZTQAOMGESL-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO COc1cc(C)c[nH+]c1NC1CSC1 ZINC001157576590 963666593 /nfs/dbraw/zinc/66/65/93/963666593.db2.gz LDIVQXDUVSPPPN-UHFFFAOYSA-N 1 2 210.302 1.926 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168100947 963709630 /nfs/dbraw/zinc/70/96/30/963709630.db2.gz GBPZBMSTUCXJIJ-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCO[C@@H](C)C1 ZINC001168112825 963754094 /nfs/dbraw/zinc/75/40/94/963754094.db2.gz DMLJRBUBWVCPNX-MMWGEVLESA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCO[C@@H](C)C1 ZINC001168112825 963754099 /nfs/dbraw/zinc/75/40/99/963754099.db2.gz DMLJRBUBWVCPNX-MMWGEVLESA-N 1 2 245.294 1.139 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H](O)C1CC1 ZINC000897385017 963878209 /nfs/dbraw/zinc/87/82/09/963878209.db2.gz QEUYCPFYAUMDKY-SNVBAGLBSA-N 1 2 222.288 1.663 20 0 BDADLO COc1cc[nH+]cc1N[C@@H]1CCOC[C@H]1OC ZINC001168194594 963961214 /nfs/dbraw/zinc/96/12/14/963961214.db2.gz IVULUMLJHZWASW-BXKDBHETSA-N 1 2 238.287 1.306 20 0 BDADLO Nc1ccc(N2C[C@@H]3C(=O)CCC[C@@H]3C2)[nH+]c1 ZINC001158999794 963973602 /nfs/dbraw/zinc/97/36/02/963973602.db2.gz MQSUUQWIMGRYMY-KOLCDFICSA-N 1 2 231.299 1.469 20 0 BDADLO Cc1ccc(Nc2cc(=O)n(C)c(=O)[nH]2)[nH+]c1C ZINC001159003989 963974233 /nfs/dbraw/zinc/97/42/33/963974233.db2.gz JRICPMFRYFDAHA-UHFFFAOYSA-N 1 2 246.270 1.241 20 0 BDADLO Cn1c[nH+]cc1CN1Cc2cnc(Cl)cc2C1 ZINC001204388326 964010249 /nfs/dbraw/zinc/01/02/49/964010249.db2.gz AZCNLVJLLWXFFZ-UHFFFAOYSA-N 1 2 248.717 1.984 20 0 BDADLO CCOc1ccc[nH+]c1N[C@H]1C[C@H](NC(C)=O)C1 ZINC001159510920 964122018 /nfs/dbraw/zinc/12/20/18/964122018.db2.gz RBCNKRNIGKZAED-XYPYZODXSA-N 1 2 249.314 1.559 20 0 BDADLO c1cn2ccc(NC[C@H]3COCCO3)cc2[nH+]1 ZINC001168267917 964147661 /nfs/dbraw/zinc/14/76/61/964147661.db2.gz ULIAITDUDYAQKA-NSHDSACASA-N 1 2 233.271 1.162 20 0 BDADLO COc1ccc(-c2noc(C[NH+]3CCC3)n2)cc1 ZINC001212093517 964252400 /nfs/dbraw/zinc/25/24/00/964252400.db2.gz YYOWFHXMZGKOID-UHFFFAOYSA-N 1 2 245.282 1.951 20 0 BDADLO COc1ccccc1-c1noc(C[NH+]2CCC2)n1 ZINC001212093364 964252452 /nfs/dbraw/zinc/25/24/52/964252452.db2.gz SJFMUSJGNPIYRE-UHFFFAOYSA-N 1 2 245.282 1.951 20 0 BDADLO Cc1ccnc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095486 964255599 /nfs/dbraw/zinc/25/55/99/964255599.db2.gz KGWDOYGACHKALS-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO Cc1nc(C[NH2+]C/C=C\CNC(=O)C2CC2)co1 ZINC001482974999 964265306 /nfs/dbraw/zinc/26/53/06/964265306.db2.gz UBMNPUOGESUZMX-IHWYPQMZSA-N 1 2 249.314 1.155 20 0 BDADLO Cc1cocc1C(=O)NCCNc1cccc[nH+]1 ZINC001160478468 964306891 /nfs/dbraw/zinc/30/68/91/964306891.db2.gz HNSKOQHNPHPAIG-UHFFFAOYSA-N 1 2 245.282 1.825 20 0 BDADLO COC(=O)C[C@H](C)Nc1[nH+]cc(C)cc1OC ZINC001160533117 964330518 /nfs/dbraw/zinc/33/05/18/964330518.db2.gz MMTZEPTVBOZXNX-VIFPVBQESA-N 1 2 238.287 1.762 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@@H](CCC[NH3+])C(=O)[O-] ZINC001160598329 964348662 /nfs/dbraw/zinc/34/86/62/964348662.db2.gz WMYGMEAFFCDARM-VIFPVBQESA-N 1 2 241.266 1.133 20 0 BDADLO CC(=O)NC[C@H](C)CNc1[nH+]ccc(F)c1C ZINC001160654239 964380341 /nfs/dbraw/zinc/38/03/41/964380341.db2.gz IFXOPVMNLIIUME-QMMMGPOBSA-N 1 2 239.294 1.713 20 0 BDADLO Cn1ncc(N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213028039 964461919 /nfs/dbraw/zinc/46/19/19/964461919.db2.gz GJRVBHRJHDLUSP-UHFFFAOYSA-N 1 2 228.259 1.622 20 0 BDADLO CN(C(=O)C1(F)C[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001161544290 964627299 /nfs/dbraw/zinc/62/72/99/964627299.db2.gz YARJZDUTSUVFSG-LBPRGKRZSA-N 1 2 248.301 1.444 20 0 BDADLO c1cn(Cc2ccc(NC3CSC3)nc2)c[nH+]1 ZINC001168362550 964637048 /nfs/dbraw/zinc/63/70/48/964637048.db2.gz ZXADBQVWZFZHCN-UHFFFAOYSA-N 1 2 246.339 1.854 20 0 BDADLO Clc1cnnc(NCCCn2cc[nH+]c2)c1 ZINC001161681288 964681886 /nfs/dbraw/zinc/68/18/86/964681886.db2.gz PBHOAFZJLWTHEV-UHFFFAOYSA-N 1 2 237.694 1.829 20 0 BDADLO CN(C)c1ncc(NCCCn2cc[nH+]c2)cn1 ZINC001161684705 964683860 /nfs/dbraw/zinc/68/38/60/964683860.db2.gz JWOAPBQGDOGUOU-UHFFFAOYSA-N 1 2 246.318 1.241 20 0 BDADLO COc1cnc(NCCCn2cc[nH+]c2)cn1 ZINC001161684858 964685487 /nfs/dbraw/zinc/68/54/87/964685487.db2.gz SZZCINUNVXCMPU-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO CC(C)[C@H](CO)Nc1ccc2c([nH+]1)CCOC2 ZINC001161735254 964722244 /nfs/dbraw/zinc/72/22/44/964722244.db2.gz HEZCKAHCFOQBMZ-LBPRGKRZSA-N 1 2 236.315 1.583 20 0 BDADLO Cc1cc(NCC(N)=O)[nH+]cc1C(F)(F)F ZINC001161837859 964782339 /nfs/dbraw/zinc/78/23/39/964782339.db2.gz RPNMPWAGYMLMAI-UHFFFAOYSA-N 1 2 233.193 1.306 20 0 BDADLO Fc1c[nH]c2nc[nH+]c(NC3CCOCC3)c12 ZINC001161859932 964797511 /nfs/dbraw/zinc/79/75/11/964797511.db2.gz WJTHZPRHGFEXOD-UHFFFAOYSA-N 1 2 236.250 1.688 20 0 BDADLO Cc1cc(NCC(=O)NC2CC2)[nH+]c2cc[nH]c21 ZINC001161897015 964812581 /nfs/dbraw/zinc/81/25/81/964812581.db2.gz DENPGUKGMNPVRZ-UHFFFAOYSA-N 1 2 244.298 1.562 20 0 BDADLO c1cc(N2CCCC2)[nH+]cc1NCC1COC1 ZINC001161948969 964832582 /nfs/dbraw/zinc/83/25/82/964832582.db2.gz CRYKFCVQXNOYSR-UHFFFAOYSA-N 1 2 233.315 1.740 20 0 BDADLO CSc1cc[nH+]c(NCCCn2cncn2)c1 ZINC001161962446 964837807 /nfs/dbraw/zinc/83/78/07/964837807.db2.gz NBFAWDJZBINGFW-UHFFFAOYSA-N 1 2 249.343 1.897 20 0 BDADLO Cc1cc2nc(Cl)cc(-n3cc[nH+]c3)n2n1 ZINC001162004284 964845613 /nfs/dbraw/zinc/84/56/13/964845613.db2.gz IGTANSIQZNTGCB-UHFFFAOYSA-N 1 2 233.662 1.877 20 0 BDADLO CCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224661206 964850281 /nfs/dbraw/zinc/85/02/81/964850281.db2.gz QRYVMBRCLUSDNN-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224661206 964850285 /nfs/dbraw/zinc/85/02/85/964850285.db2.gz QRYVMBRCLUSDNN-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO FC1CC(Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC001162209982 964871667 /nfs/dbraw/zinc/87/16/67/964871667.db2.gz OTMBJVDISIBONQ-UHFFFAOYSA-N 1 2 236.294 1.989 20 0 BDADLO FC1CC(Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC001162209982 964871669 /nfs/dbraw/zinc/87/16/69/964871669.db2.gz OTMBJVDISIBONQ-UHFFFAOYSA-N 1 2 236.294 1.989 20 0 BDADLO O=C1C[C@@H](CNc2ccn3cc[nH+]c3c2)CCN1 ZINC001162332232 964935987 /nfs/dbraw/zinc/93/59/87/964935987.db2.gz FHBWLPMTLICCRL-JTQLQIEISA-N 1 2 244.298 1.272 20 0 BDADLO C[C@@]1(O)CC[C@@H](Nc2cc[nH+]cc2F)CC1 ZINC001162359843 964941646 /nfs/dbraw/zinc/94/16/46/964941646.db2.gz NMWDBDCDAFVKKQ-OTCDBFHCSA-N 1 2 224.279 1.748 20 0 BDADLO CCOC(=[NH2+])CCCCO[C@H]1CCOC1=O ZINC001224964371 965167709 /nfs/dbraw/zinc/16/77/09/965167709.db2.gz XZAGFUHWEQJYGQ-VIFPVBQESA-N 1 2 229.276 1.503 20 0 BDADLO c1cn2cc(CNc3ncccn3)ccc2[nH+]1 ZINC001163135351 965262518 /nfs/dbraw/zinc/26/25/18/965262518.db2.gz DNWOMZLYBNOTRO-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]c3cccnc23)CCC1=O ZINC001231485123 965265146 /nfs/dbraw/zinc/26/51/46/965265146.db2.gz DABDVLXSWZIIDN-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3cccnc23)CCC1=O ZINC001231485123 965265159 /nfs/dbraw/zinc/26/51/59/965265159.db2.gz DABDVLXSWZIIDN-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2ncc(C)nc2C)n[nH]1 ZINC001163507898 965421903 /nfs/dbraw/zinc/42/19/03/965421903.db2.gz FMXBRRRMJSVTFM-UHFFFAOYSA-N 1 2 245.290 1.157 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2cc(C)cc(C)n2)[nH]n1 ZINC001163508426 965422625 /nfs/dbraw/zinc/42/26/25/965422625.db2.gz TWXDLAGBOQHMJJ-UHFFFAOYSA-N 1 2 244.302 1.762 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2nccc(F)c2C)n[nH]1 ZINC001163510010 965423274 /nfs/dbraw/zinc/42/32/74/965423274.db2.gz PJWVUIPTEZTSLZ-UHFFFAOYSA-N 1 2 248.265 1.592 20 0 BDADLO CNc1ccc(NCc2nonc2C)c[nH+]1 ZINC001164059322 965721603 /nfs/dbraw/zinc/72/16/03/965721603.db2.gz PJGKYPDGSYVEHV-UHFFFAOYSA-N 1 2 219.248 1.427 20 0 BDADLO Nc1cc(N2CCC[C@H](F)C(F)(F)C2)[nH+]cn1 ZINC001164065430 965728076 /nfs/dbraw/zinc/72/80/76/965728076.db2.gz YHNSBZDYYOTVPL-ZETCQYMHSA-N 1 2 246.236 1.632 20 0 BDADLO O[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1F ZINC001164104106 965736523 /nfs/dbraw/zinc/73/65/23/965736523.db2.gz IUHLKFHQHJPDGS-NWDGAFQWSA-N 1 2 232.258 1.754 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@H](O)[C@H](F)CC1 ZINC001164238975 965808105 /nfs/dbraw/zinc/80/81/05/965808105.db2.gz LRNFCAXQNNLQSY-GHMZBOCLSA-N 1 2 242.269 1.828 20 0 BDADLO CCc1nc(N2[C@@H](C)CC[C@H]2CO)cc(C)[nH+]1 ZINC001164309546 965838091 /nfs/dbraw/zinc/83/80/91/965838091.db2.gz MOKCCQVHQYGQGB-QWRGUYRKSA-N 1 2 235.331 1.697 20 0 BDADLO COc1cc[nH+]cc1NCC1(CO)CCC1 ZINC001164363711 965858445 /nfs/dbraw/zinc/85/84/45/965858445.db2.gz HINJRDULOBALDF-UHFFFAOYSA-N 1 2 222.288 1.665 20 0 BDADLO Nc1cn2ccc(NCC3(CO)CCC3)cc2[nH+]1 ZINC001164363726 965860123 /nfs/dbraw/zinc/86/01/23/965860123.db2.gz IFMVGDSRZVIQHB-UHFFFAOYSA-N 1 2 246.314 1.491 20 0 BDADLO CCc1cc(C[N@@H+]2CCC3(C2)OCCO3)on1 ZINC001203224924 965892321 /nfs/dbraw/zinc/89/23/21/965892321.db2.gz HGYKMHKBFRAAEU-UHFFFAOYSA-N 1 2 238.287 1.186 20 0 BDADLO CCc1cc(C[N@H+]2CCC3(C2)OCCO3)on1 ZINC001203224924 965892324 /nfs/dbraw/zinc/89/23/24/965892324.db2.gz HGYKMHKBFRAAEU-UHFFFAOYSA-N 1 2 238.287 1.186 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+](C)Cc1cnccn1 ZINC000699508387 965930109 /nfs/dbraw/zinc/93/01/09/965930109.db2.gz GDIGHFXGDMSAIV-ONNFQVAWSA-N 1 2 235.287 1.028 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+](C)Cc1cnccn1 ZINC000699508387 965930121 /nfs/dbraw/zinc/93/01/21/965930121.db2.gz GDIGHFXGDMSAIV-ONNFQVAWSA-N 1 2 235.287 1.028 20 0 BDADLO CNc1ccc(-n2c(C)cc(=O)c(N)c2C)c[nH+]1 ZINC001203451726 965985032 /nfs/dbraw/zinc/98/50/32/965985032.db2.gz ASKNZBGRWNRFCT-UHFFFAOYSA-N 1 2 244.298 1.473 20 0 BDADLO Cc1c[nH+]c(N2CC[C@@](C)(O)C2)nc1NC1CC1 ZINC001165226706 965988952 /nfs/dbraw/zinc/98/89/52/965988952.db2.gz PQNBSCLPQOFHDH-CYBMUJFWSA-N 1 2 248.330 1.320 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)OCC ZINC000699574205 965998572 /nfs/dbraw/zinc/99/85/72/965998572.db2.gz NGJLNPZHEGVYON-OUAUKWLOSA-N 1 2 229.320 1.343 20 0 BDADLO CSc1cc[nH+]c(N2CC[C@@H](CO)C2)c1 ZINC001166550316 966296813 /nfs/dbraw/zinc/29/68/13/966296813.db2.gz CYABDLKQVUDFGW-SECBINFHSA-N 1 2 224.329 1.622 20 0 BDADLO CC(=O)N(C)C1CN(c2[nH+]ccc(F)c2C)C1 ZINC001166733097 966384897 /nfs/dbraw/zinc/38/48/97/966384897.db2.gz CVNNLQMBJCDKEI-UHFFFAOYSA-N 1 2 237.278 1.196 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC(C(=O)N(C)C)C1 ZINC001166737664 966387018 /nfs/dbraw/zinc/38/70/18/966387018.db2.gz SHJBJDNRXLFSNQ-UHFFFAOYSA-N 1 2 237.278 1.054 20 0 BDADLO CCc1cn(CC(=O)Nc2cc(C)nn2C)c[nH+]1 ZINC001166821655 966420950 /nfs/dbraw/zinc/42/09/50/966420950.db2.gz BZRGQBZEZQCODS-UHFFFAOYSA-N 1 2 247.302 1.126 20 0 BDADLO CN(CCc1ccc(F)cc1)c1cc(N)nc[nH+]1 ZINC001166820960 966423112 /nfs/dbraw/zinc/42/31/12/966423112.db2.gz HLEPOARXIYIFFN-UHFFFAOYSA-N 1 2 246.289 1.877 20 0 BDADLO CSc1cc[nH+]c(N(C)CC2COC2)c1 ZINC001166949321 966477432 /nfs/dbraw/zinc/47/74/32/966477432.db2.gz SSMTWZHXEBUOQP-UHFFFAOYSA-N 1 2 224.329 1.886 20 0 BDADLO CC1(C)CN(c2ccc(N)c[nH+]2)CCC1=O ZINC001166976599 966498499 /nfs/dbraw/zinc/49/84/99/966498499.db2.gz ZXIFPLDOIXYVOF-UHFFFAOYSA-N 1 2 219.288 1.469 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cncc(C)n1)C2 ZINC001203174459 966539570 /nfs/dbraw/zinc/53/95/70/966539570.db2.gz AYBNGYYUTHLWJR-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cncc(C)n1)C2 ZINC001203174459 966539575 /nfs/dbraw/zinc/53/95/75/966539575.db2.gz AYBNGYYUTHLWJR-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@@H]2C(C)C)n1 ZINC001203173674 966541264 /nfs/dbraw/zinc/54/12/64/966541264.db2.gz PPMPEPPQLTWOMD-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@@H]2C(C)C)n1 ZINC001203173674 966541269 /nfs/dbraw/zinc/54/12/69/966541269.db2.gz PPMPEPPQLTWOMD-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC12CCCCC2 ZINC001203198051 966547188 /nfs/dbraw/zinc/54/71/88/966547188.db2.gz FZJANDZYEVCPQB-UHFFFAOYSA-N 1 2 206.293 1.713 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC12CCCCC2 ZINC001203198051 966547200 /nfs/dbraw/zinc/54/72/00/966547200.db2.gz FZJANDZYEVCPQB-UHFFFAOYSA-N 1 2 206.293 1.713 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC12CCCCC2 ZINC001203198051 966547218 /nfs/dbraw/zinc/54/72/18/966547218.db2.gz FZJANDZYEVCPQB-UHFFFAOYSA-N 1 2 206.293 1.713 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001203205505 966547302 /nfs/dbraw/zinc/54/73/02/966547302.db2.gz BYGAWMUXTAGEQN-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001203205505 966547304 /nfs/dbraw/zinc/54/73/04/966547304.db2.gz BYGAWMUXTAGEQN-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001203205505 966547312 /nfs/dbraw/zinc/54/73/12/966547312.db2.gz BYGAWMUXTAGEQN-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001203205505 966547319 /nfs/dbraw/zinc/54/73/19/966547319.db2.gz BYGAWMUXTAGEQN-SNVBAGLBSA-N 1 2 229.287 1.189 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001203207684 966551495 /nfs/dbraw/zinc/55/14/95/966551495.db2.gz OASCGGJLCZIZAW-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001203207684 966551502 /nfs/dbraw/zinc/55/15/02/966551502.db2.gz OASCGGJLCZIZAW-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001203207684 966551509 /nfs/dbraw/zinc/55/15/09/966551509.db2.gz OASCGGJLCZIZAW-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001203207684 966551518 /nfs/dbraw/zinc/55/15/18/966551518.db2.gz OASCGGJLCZIZAW-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001203207684 966551527 /nfs/dbraw/zinc/55/15/27/966551527.db2.gz OASCGGJLCZIZAW-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO COc1cc(NC2=CCOC2)cc(C)[nH+]1 ZINC001203386815 966623843 /nfs/dbraw/zinc/62/38/43/966623843.db2.gz PVKVOVYPBGDABF-UHFFFAOYSA-N 1 2 206.245 1.725 20 0 BDADLO CNc1ccc(Nc2ccn3cnnc3c2)c[nH+]1 ZINC001203449464 966647253 /nfs/dbraw/zinc/64/72/53/966647253.db2.gz GXVIAWGDYZHDGM-UHFFFAOYSA-N 1 2 240.270 1.910 20 0 BDADLO CNc1ccc(N(C)c2nccnc2N)c[nH+]1 ZINC001203449833 966656724 /nfs/dbraw/zinc/65/67/24/966656724.db2.gz MPMCYFRHHAMDEQ-UHFFFAOYSA-N 1 2 230.275 1.263 20 0 BDADLO c1nnc(C[N@@H+]2CCC23CCCCC3)[nH]1 ZINC001237601814 966674575 /nfs/dbraw/zinc/67/45/75/966674575.db2.gz NJPZFUBNSHIUSA-UHFFFAOYSA-N 1 2 206.293 1.713 20 0 BDADLO c1nnc(C[N@H+]2CCC23CCCCC3)[nH]1 ZINC001237601814 966674585 /nfs/dbraw/zinc/67/45/85/966674585.db2.gz NJPZFUBNSHIUSA-UHFFFAOYSA-N 1 2 206.293 1.713 20 0 BDADLO COc1cc[nH+]c(Nc2ccc(N)nc2F)c1 ZINC001203609386 966705391 /nfs/dbraw/zinc/70/53/91/966705391.db2.gz UBYITMUWYGRXKI-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO CCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107002122 966711644 /nfs/dbraw/zinc/71/16/44/966711644.db2.gz QQXDVOQMOWEBNE-PLNGDYQASA-N 1 2 234.303 1.279 20 0 BDADLO Cc1c[nH+]c(C)c(-n2cnc(N)c3ncnc2-3)c1 ZINC001203654594 966718219 /nfs/dbraw/zinc/71/82/19/966718219.db2.gz LSLAFWPQQDXVRW-UHFFFAOYSA-N 1 2 240.270 1.361 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1C ZINC001203895681 966814665 /nfs/dbraw/zinc/81/46/65/966814665.db2.gz WNTBIHBUMJXEFF-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1C ZINC001203895681 966814670 /nfs/dbraw/zinc/81/46/70/966814670.db2.gz WNTBIHBUMJXEFF-NWDGAFQWSA-N 1 2 239.290 1.518 20 0 BDADLO COC1C[NH+](Cc2ccc(OC(C)=O)cc2)C1 ZINC001203945629 966828812 /nfs/dbraw/zinc/82/88/12/966828812.db2.gz NOACWDGPZNOECU-UHFFFAOYSA-N 1 2 235.283 1.443 20 0 BDADLO O=C1CCCC2(CC[NH+](Cc3ncc[nH]3)CC2)N1 ZINC001203975003 966834685 /nfs/dbraw/zinc/83/46/85/966834685.db2.gz RBJFAPWUKAEKEC-UHFFFAOYSA-N 1 2 248.330 1.044 20 0 BDADLO CN(C1COC1)C1C[NH+](Cc2ccsc2)C1 ZINC001204040421 966864244 /nfs/dbraw/zinc/86/42/44/966864244.db2.gz YGPHFBYPBLPXLF-UHFFFAOYSA-N 1 2 238.356 1.263 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]23CCN(C)C3=O)no1 ZINC001272771647 966884748 /nfs/dbraw/zinc/88/47/48/966884748.db2.gz AKWRWLYPCPPVTB-CYBMUJFWSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)no1 ZINC001272771647 966884754 /nfs/dbraw/zinc/88/47/54/966884754.db2.gz AKWRWLYPCPPVTB-CYBMUJFWSA-N 1 2 249.314 1.180 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1ccncc1 ZINC001204081636 966885889 /nfs/dbraw/zinc/88/58/89/966885889.db2.gz HLPUCJUTZZXWGV-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1ccncc1 ZINC001204081636 966885895 /nfs/dbraw/zinc/88/58/95/966885895.db2.gz HLPUCJUTZZXWGV-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO CCN(Cc1ccncc1)C1C[NH+](C)C1 ZINC001204081683 966886411 /nfs/dbraw/zinc/88/64/11/966886411.db2.gz IXYVUHDFAUPIJW-UHFFFAOYSA-N 1 2 205.305 1.218 20 0 BDADLO Cc1cc(C[NH+]2CCOCC2)cc(C)n1 ZINC001204143825 966901093 /nfs/dbraw/zinc/90/10/93/966901093.db2.gz BATIMUOSCUQMTQ-UHFFFAOYSA-N 1 2 206.289 1.531 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3nccn3c2)[C@H](C)CO1 ZINC001143033609 966984502 /nfs/dbraw/zinc/98/45/02/966984502.db2.gz AAFHFEBWMQNOOX-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3nccn3c2)[C@H](C)CO1 ZINC001143033609 966984508 /nfs/dbraw/zinc/98/45/08/966984508.db2.gz AAFHFEBWMQNOOX-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO CCc1ccc(CN(CC)C2C[NH+](C)C2)o1 ZINC001204394786 966992385 /nfs/dbraw/zinc/99/23/85/966992385.db2.gz TWCVKIUKGVRKEJ-UHFFFAOYSA-N 1 2 222.332 1.978 20 0 BDADLO Cc1cc(C)cc(C[NH+]2CCN(C#N)CC2)c1 ZINC001204526652 967025233 /nfs/dbraw/zinc/02/52/33/967025233.db2.gz JNIQYQFVBPGNJV-UHFFFAOYSA-N 1 2 229.327 1.902 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001204587376 967074491 /nfs/dbraw/zinc/07/44/91/967074491.db2.gz CBLGZIHAFBODSI-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001204587376 967074506 /nfs/dbraw/zinc/07/45/06/967074506.db2.gz CBLGZIHAFBODSI-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)[C@@H](C)CC1 ZINC001204587376 967074520 /nfs/dbraw/zinc/07/45/20/967074520.db2.gz CBLGZIHAFBODSI-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCN(CC(F)F)CC1 ZINC001204590041 967079655 /nfs/dbraw/zinc/07/96/55/967079655.db2.gz BBRNBVRXWOWJQD-UHFFFAOYSA-N 1 2 244.289 1.101 20 0 BDADLO Cc1[nH+]c[nH]c1CN1C[C@@H](F)C[C@H]1CF ZINC001204588183 967082684 /nfs/dbraw/zinc/08/26/84/967082684.db2.gz UWRACSTWPXIHIU-IUCAKERBSA-N 1 2 215.247 1.600 20 0 BDADLO Cc1[nH+]c[nH]c1CN(C1CC1)C1COC1 ZINC001204588691 967082861 /nfs/dbraw/zinc/08/28/61/967082861.db2.gz DFCGMCASNRXASN-UHFFFAOYSA-N 1 2 207.277 1.081 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCn2cccc2C1 ZINC001204588543 967083354 /nfs/dbraw/zinc/08/33/54/967083354.db2.gz KOMJPGRDMNEBHT-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCn2cccc2C1 ZINC001204588543 967083363 /nfs/dbraw/zinc/08/33/63/967083363.db2.gz KOMJPGRDMNEBHT-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1nc2c(o1)CCN(Cc1[nH]c[nH+]c1C)C2 ZINC001204603530 967099139 /nfs/dbraw/zinc/09/91/39/967099139.db2.gz PBSWVVPLBHHIBJ-UHFFFAOYSA-N 1 2 232.287 1.573 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nc(CO)cs2)C1 ZINC001204749841 967145189 /nfs/dbraw/zinc/14/51/89/967145189.db2.gz LPTVEBMAYACQRN-SNVBAGLBSA-N 1 2 242.344 1.246 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001204749841 967145197 /nfs/dbraw/zinc/14/51/97/967145197.db2.gz LPTVEBMAYACQRN-SNVBAGLBSA-N 1 2 242.344 1.246 20 0 BDADLO COCCc1ccc(N2CCCC2)[nH+]c1 ZINC001249939244 967181800 /nfs/dbraw/zinc/18/18/00/967181800.db2.gz UTGBSWDTNJLDQF-UHFFFAOYSA-N 1 2 206.289 1.871 20 0 BDADLO CNc1cc(NC[C@@H]2CCC(C)(C)O2)[nH+]cn1 ZINC000821981352 967254597 /nfs/dbraw/zinc/25/45/97/967254597.db2.gz BPHHIYOEIODZCY-VIFPVBQESA-N 1 2 236.319 1.888 20 0 BDADLO OCc1cccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204959630 967263068 /nfs/dbraw/zinc/26/30/68/967263068.db2.gz RKBXWHOOSKTUFU-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO Cc1cc(=N)n(-c2ccn3cc[nH+]c3c2)cc1N ZINC001204970965 967268909 /nfs/dbraw/zinc/26/89/09/967268909.db2.gz DDWHPIVJGAGOHH-UHFFFAOYSA-N 1 2 239.282 1.495 20 0 BDADLO c1nn(CC[NH+]2CCOCC2)cc1C1CC1 ZINC001250032548 967286202 /nfs/dbraw/zinc/28/62/02/967286202.db2.gz RVSHYQBHCDSNDS-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO OCCCC[N@@H+]1CCCCC(F)(F)C1 ZINC001205155847 967398690 /nfs/dbraw/zinc/39/86/90/967398690.db2.gz GHMRFUIJRJPRQJ-UHFFFAOYSA-N 1 2 207.264 1.880 20 0 BDADLO OCCCC[N@H+]1CCCCC(F)(F)C1 ZINC001205155847 967398701 /nfs/dbraw/zinc/39/87/01/967398701.db2.gz GHMRFUIJRJPRQJ-UHFFFAOYSA-N 1 2 207.264 1.880 20 0 BDADLO Cc1cncc(-c2noc([C@]3([NH3+])CCOC3)n2)c1 ZINC001205228203 967430009 /nfs/dbraw/zinc/43/00/09/967430009.db2.gz YWPZEATYWNUJCE-LBPRGKRZSA-N 1 2 246.270 1.014 20 0 BDADLO CNc1ccc(CCCC(=O)OC)c[nH+]1 ZINC001250145696 967431950 /nfs/dbraw/zinc/43/19/50/967431950.db2.gz XOWJRFQIMJEXMY-UHFFFAOYSA-N 1 2 208.261 1.619 20 0 BDADLO COc1ccc(CC[NH+]2CCOCC2)c(F)c1 ZINC001250274977 967604263 /nfs/dbraw/zinc/60/42/63/967604263.db2.gz WKVQSYUCSWXGBJ-UHFFFAOYSA-N 1 2 239.290 1.709 20 0 BDADLO CN1C[C@H](C[NH2+]c2ccc(O)cc2)CC1=O ZINC001168728581 967665858 /nfs/dbraw/zinc/66/58/58/967665858.db2.gz XVVUIWOAXOVMKX-VIFPVBQESA-N 1 2 220.272 1.282 20 0 BDADLO COc1ncc(C)cc1CCn1cc[nH+]c1 ZINC001250316089 967678865 /nfs/dbraw/zinc/67/88/65/967678865.db2.gz AOUYFUVBZOFFSG-UHFFFAOYSA-N 1 2 217.272 1.838 20 0 BDADLO O=C1Cc2cc(CCn3cc[nH+]c3)ccc2N1 ZINC001250316266 967680396 /nfs/dbraw/zinc/68/03/96/967680396.db2.gz FVLBAMVDJZVELK-UHFFFAOYSA-N 1 2 227.267 1.620 20 0 BDADLO COc1ncc(CCn2cc[nH+]c2)s1 ZINC001250316202 967680916 /nfs/dbraw/zinc/68/09/16/967680916.db2.gz DGGBPEMREUVJNK-UHFFFAOYSA-N 1 2 209.274 1.591 20 0 BDADLO COc1cc(C)c(CCn2cc[nH+]c2)cn1 ZINC001250319456 967693027 /nfs/dbraw/zinc/69/30/27/967693027.db2.gz RJZKGUHATJTETM-UHFFFAOYSA-N 1 2 217.272 1.838 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)cc(C)n1 ZINC001250319046 967694090 /nfs/dbraw/zinc/69/40/90/967694090.db2.gz PUFSKQYRAYSPSR-UHFFFAOYSA-N 1 2 217.272 1.838 20 0 BDADLO OCc1ccc(CCn2cc[nH+]c2)cn1 ZINC001250320131 967696544 /nfs/dbraw/zinc/69/65/44/967696544.db2.gz YSFKNAKSLVRHSG-UHFFFAOYSA-N 1 2 203.245 1.013 20 0 BDADLO Nc1c(F)cc(CCn2cc[nH+]c2)cc1F ZINC001250320149 967697120 /nfs/dbraw/zinc/69/71/20/967697120.db2.gz YZTNKSAEXIGTGO-UHFFFAOYSA-N 1 2 223.226 1.986 20 0 BDADLO OCc1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250320895 967698625 /nfs/dbraw/zinc/69/86/25/967698625.db2.gz SCKJCGAPTVOXQW-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO CC(C)(C)OC(=O)CCc1ccc[nH+]c1N ZINC001250330129 967717430 /nfs/dbraw/zinc/71/74/30/967717430.db2.gz IXUHRQMDHRMJEE-UHFFFAOYSA-N 1 2 222.288 1.938 20 0 BDADLO CNc1ccc(Nc2ccnnc2)c[nH+]1 ZINC001203448724 967724763 /nfs/dbraw/zinc/72/47/63/967724763.db2.gz HBJIIWMHUKWEAP-UHFFFAOYSA-N 1 2 201.233 1.657 20 0 BDADLO c1cn2ccc(Cc3ncccn3)cc2[nH+]1 ZINC001250342449 967733924 /nfs/dbraw/zinc/73/39/24/967733924.db2.gz DIPWIHXDZNYTKE-UHFFFAOYSA-N 1 2 210.240 1.715 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnoc2)C1 ZINC001205677500 967768666 /nfs/dbraw/zinc/76/86/66/967768666.db2.gz KLZZJFFPLQLMBQ-QMMMGPOBSA-N 1 2 236.193 1.174 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnoc2)C1 ZINC001205677500 967768675 /nfs/dbraw/zinc/76/86/75/967768675.db2.gz KLZZJFFPLQLMBQ-QMMMGPOBSA-N 1 2 236.193 1.174 20 0 BDADLO CC(C)OCCc1c[nH+]c2c(c1)OCCN2C ZINC001250410769 967817166 /nfs/dbraw/zinc/81/71/66/967817166.db2.gz BCGFUKIEQAPDIJ-UHFFFAOYSA-N 1 2 236.315 1.878 20 0 BDADLO Cc1cccnc1C[N@H+](C)Cc1ccncn1 ZINC001205821334 967838860 /nfs/dbraw/zinc/83/88/60/967838860.db2.gz NBNGKHWDTBKUQR-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cccnc1C[N@@H+](C)Cc1ccncn1 ZINC001205821334 967838862 /nfs/dbraw/zinc/83/88/62/967838862.db2.gz NBNGKHWDTBKUQR-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CNc1ccc(C)cc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001205916576 967882507 /nfs/dbraw/zinc/88/25/07/967882507.db2.gz CWEDLOFIWROVNI-NSHDSACASA-N 1 2 247.342 1.357 20 0 BDADLO CNc1ccc(C)cc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001205916576 967882509 /nfs/dbraw/zinc/88/25/09/967882509.db2.gz CWEDLOFIWROVNI-NSHDSACASA-N 1 2 247.342 1.357 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2cc3cc[nH]c3cn2)C1 ZINC001162680163 967885981 /nfs/dbraw/zinc/88/59/81/967885981.db2.gz HNDJLVGZGRJQMB-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2cc3cc[nH]c3cn2)C1 ZINC001162680163 967885978 /nfs/dbraw/zinc/88/59/78/967885978.db2.gz HNDJLVGZGRJQMB-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO Cc1cc(-c2ccnc3ccnn32)c[nH+]c1N ZINC001250482255 967931236 /nfs/dbraw/zinc/93/12/36/967931236.db2.gz QYWZGIJVPSMULH-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO COc1cccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)n1 ZINC001137528308 967959411 /nfs/dbraw/zinc/95/94/11/967959411.db2.gz AKBJBZBHVNKTLN-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)n1 ZINC001137528308 967959434 /nfs/dbraw/zinc/95/94/34/967959434.db2.gz AKBJBZBHVNKTLN-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO C[C@H](Nc1cc(N)nc[nH+]1)c1ccno1 ZINC001163212199 968008212 /nfs/dbraw/zinc/00/82/12/968008212.db2.gz DEJXICOTOHNNIN-LURJTMIESA-N 1 2 205.221 1.220 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@]3(CCO3)C2)co1 ZINC001206073793 968041857 /nfs/dbraw/zinc/04/18/57/968041857.db2.gz DJVRHKBEAOXNTI-GFCCVEGCSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@]3(CCO3)C2)co1 ZINC001206073793 968041869 /nfs/dbraw/zinc/04/18/69/968041869.db2.gz DJVRHKBEAOXNTI-GFCCVEGCSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2ncc(C)cc2C)[nH]n1 ZINC001163509196 968044068 /nfs/dbraw/zinc/04/40/68/968044068.db2.gz AIORUVRGJJNIHZ-UHFFFAOYSA-N 1 2 244.302 1.762 20 0 BDADLO Cc1ccc(O)c(Nc2ccn(C)c(=O)c2)[nH+]1 ZINC001206076591 968045731 /nfs/dbraw/zinc/04/57/31/968045731.db2.gz DVMDVVBEQOOMFU-UHFFFAOYSA-N 1 2 231.255 1.538 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)s1 ZINC001206171298 968108484 /nfs/dbraw/zinc/10/84/84/968108484.db2.gz FLDIZDXWMIOHEW-UWVGGRQHSA-N 1 2 224.329 1.733 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)s1 ZINC001206171298 968108494 /nfs/dbraw/zinc/10/84/94/968108494.db2.gz FLDIZDXWMIOHEW-UWVGGRQHSA-N 1 2 224.329 1.733 20 0 BDADLO Cn1cnc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001206206682 968138181 /nfs/dbraw/zinc/13/81/81/968138181.db2.gz BDYBHGRPNFQABB-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)CC(=O)N3)c[nH+]1 ZINC001206215680 968145272 /nfs/dbraw/zinc/14/52/72/968145272.db2.gz NMOVEYFDNXGIBA-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(=O)[C@@H](C)CC1 ZINC001164367084 968225260 /nfs/dbraw/zinc/22/52/60/968225260.db2.gz YITZFSJWKSFASG-VIFPVBQESA-N 1 2 233.315 1.899 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccnn1C ZINC001206355287 968255034 /nfs/dbraw/zinc/25/50/34/968255034.db2.gz OLBNHYOUKLHWGS-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1ccnn1C ZINC001206355287 968255044 /nfs/dbraw/zinc/25/50/44/968255044.db2.gz OLBNHYOUKLHWGS-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO COc1ncc(C[NH+]2CC(C)(C)C2)cn1 ZINC001206380510 968266360 /nfs/dbraw/zinc/26/63/60/968266360.db2.gz AQEDFQUPTIQECE-UHFFFAOYSA-N 1 2 207.277 1.327 20 0 BDADLO Cc1cc(Cl)c(C)c(N(C)C[C@@H](O)CO)[nH+]1 ZINC001165533045 968287072 /nfs/dbraw/zinc/28/70/72/968287072.db2.gz OWMGZKPEDPJRHL-SECBINFHSA-N 1 2 244.722 1.141 20 0 BDADLO C[C@@H](C(=O)N1CCCO[C@H](C)C1)n1cc[nH+]c1 ZINC001251539486 968290407 /nfs/dbraw/zinc/29/04/07/968290407.db2.gz PTNSNMVUZJLMGU-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO COc1cnccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001206447237 968312179 /nfs/dbraw/zinc/31/21/79/968312179.db2.gz LTYGBCAPBPLEIA-SRVKXCTJSA-N 1 2 236.290 1.880 20 0 BDADLO COc1cnccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001206447237 968312186 /nfs/dbraw/zinc/31/21/86/968312186.db2.gz LTYGBCAPBPLEIA-SRVKXCTJSA-N 1 2 236.290 1.880 20 0 BDADLO CCOC(=O)[C@H](CC1CCC1)[NH2+]C[C@H](O)CC ZINC001251808662 968344588 /nfs/dbraw/zinc/34/45/88/968344588.db2.gz QJFAVUKQUUUYHS-NEPJUHHUSA-N 1 2 243.347 1.469 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001206560623 968384693 /nfs/dbraw/zinc/38/46/93/968384693.db2.gz CAXLLPVOCPKMBS-SDDRHHMPSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001206560623 968384696 /nfs/dbraw/zinc/38/46/96/968384696.db2.gz CAXLLPVOCPKMBS-SDDRHHMPSA-N 1 2 236.290 1.880 20 0 BDADLO Cc1nc(N2C[C@@H]3C[C@H]2CO3)c(C)c(C)[nH+]1 ZINC001166755263 968385154 /nfs/dbraw/zinc/38/51/54/968385154.db2.gz KMRZRYXERADOMJ-QWRGUYRKSA-N 1 2 219.288 1.379 20 0 BDADLO C[C@H](O)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC001251955583 968391509 /nfs/dbraw/zinc/39/15/09/968391509.db2.gz UZXMSLYEZKXTEA-NSHDSACASA-N 1 2 235.331 1.865 20 0 BDADLO CCOC[C@@H](O)CNc1c[nH+]c(C)cc1C ZINC001252018951 968442168 /nfs/dbraw/zinc/44/21/68/968442168.db2.gz YYZOFYYZZMKLDM-NSHDSACASA-N 1 2 224.304 1.508 20 0 BDADLO C[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC001168765872 968479543 /nfs/dbraw/zinc/47/95/43/968479543.db2.gz NPQVECJLAZWBOL-CABZTGNLSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC001168765872 968479546 /nfs/dbraw/zinc/47/95/46/968479546.db2.gz NPQVECJLAZWBOL-CABZTGNLSA-N 1 2 236.315 1.755 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001206820106 968489518 /nfs/dbraw/zinc/48/95/18/968489518.db2.gz AZSBWAYQJFNQNS-SNVBAGLBSA-N 1 2 208.261 1.394 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001206820106 968489519 /nfs/dbraw/zinc/48/95/19/968489519.db2.gz AZSBWAYQJFNQNS-SNVBAGLBSA-N 1 2 208.261 1.394 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(C)ccn2)C[C@@H]1F ZINC001206847610 968496598 /nfs/dbraw/zinc/49/65/98/968496598.db2.gz PKRGCYUSZMIWGV-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(C)ccn2)C[C@@H]1F ZINC001206847610 968496604 /nfs/dbraw/zinc/49/66/04/968496604.db2.gz PKRGCYUSZMIWGV-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO [NH3+][C@@]1(c2nc(-c3cccc(F)c3)no2)CCOC1 ZINC000085850785 968507794 /nfs/dbraw/zinc/50/77/94/968507794.db2.gz SKVDHOVITPHYGI-LBPRGKRZSA-N 1 2 249.245 1.450 20 0 BDADLO CC[C@@H](C[N@@H+]1CCC[C@H]1c1nnc[nH]1)OC ZINC000822603725 968528489 /nfs/dbraw/zinc/52/84/89/968528489.db2.gz LAZRFINUZTYLJC-UWVGGRQHSA-N 1 2 224.308 1.367 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1F ZINC001207036855 968565459 /nfs/dbraw/zinc/56/54/59/968565459.db2.gz CVECFQLFJCKIQD-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1F ZINC001207036855 968565471 /nfs/dbraw/zinc/56/54/71/968565471.db2.gz CVECFQLFJCKIQD-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO COC(C)(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000824230725 968584786 /nfs/dbraw/zinc/58/47/86/968584786.db2.gz WVIKZYMATFZUAJ-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO Fc1cnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC001207094257 968585112 /nfs/dbraw/zinc/58/51/12/968585112.db2.gz SXEZMOZMTXVDNF-OCAPTIKFSA-N 1 2 210.227 1.812 20 0 BDADLO Fc1cnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC001207094257 968585121 /nfs/dbraw/zinc/58/51/21/968585121.db2.gz SXEZMOZMTXVDNF-OCAPTIKFSA-N 1 2 210.227 1.812 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CCC1=O ZINC001207065935 968594263 /nfs/dbraw/zinc/59/42/63/968594263.db2.gz ZRSRQUQSWMXREG-SNVBAGLBSA-N 1 2 234.299 1.588 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CCC1=O ZINC001207065935 968594274 /nfs/dbraw/zinc/59/42/74/968594274.db2.gz ZRSRQUQSWMXREG-SNVBAGLBSA-N 1 2 234.299 1.588 20 0 BDADLO O=c1cccc(C[N@@H+]2CCc3cnccc3C2)[nH]1 ZINC001207065491 968595042 /nfs/dbraw/zinc/59/50/42/968595042.db2.gz RGGALBFBYDNRBO-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO O=c1cccc(C[N@H+]2CCc3cnccc3C2)[nH]1 ZINC001207065491 968595048 /nfs/dbraw/zinc/59/50/48/968595048.db2.gz RGGALBFBYDNRBO-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CCc1nccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001207081943 968615328 /nfs/dbraw/zinc/61/53/28/968615328.db2.gz AHNDUJSLZROAGN-NSHDSACASA-N 1 2 247.342 1.840 20 0 BDADLO CCc1nccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001207081943 968615333 /nfs/dbraw/zinc/61/53/33/968615333.db2.gz AHNDUJSLZROAGN-NSHDSACASA-N 1 2 247.342 1.840 20 0 BDADLO CCc1nccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC001207090596 968622528 /nfs/dbraw/zinc/62/25/28/968622528.db2.gz ZEXQWVMUFSQDCY-ZDUSSCGKSA-N 1 2 247.342 1.650 20 0 BDADLO CCc1nccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC001207090596 968622533 /nfs/dbraw/zinc/62/25/33/968622533.db2.gz ZEXQWVMUFSQDCY-ZDUSSCGKSA-N 1 2 247.342 1.650 20 0 BDADLO O[C@H]1CCCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207093006 968624198 /nfs/dbraw/zinc/62/41/98/968624198.db2.gz IANGHAZUMZAWCJ-JTQLQIEISA-N 1 2 242.269 1.707 20 0 BDADLO O[C@H]1CCCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207093006 968624206 /nfs/dbraw/zinc/62/42/06/968624206.db2.gz IANGHAZUMZAWCJ-JTQLQIEISA-N 1 2 242.269 1.707 20 0 BDADLO CCn1ccnc1C[NH+]1CC2(C1)CCOCC2 ZINC001207144253 968652689 /nfs/dbraw/zinc/65/26/89/968652689.db2.gz TXKLCWIMYIQURC-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001207163865 968672043 /nfs/dbraw/zinc/67/20/43/968672043.db2.gz QWBWSLFWBCKJHK-SCZZXKLOSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)n1 ZINC001207163865 968672048 /nfs/dbraw/zinc/67/20/48/968672048.db2.gz QWBWSLFWBCKJHK-SCZZXKLOSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@@H]2C(C)C)n1 ZINC001207166147 968674325 /nfs/dbraw/zinc/67/43/25/968674325.db2.gz AWYYSACCNHOZQM-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@@H]2C(C)C)n1 ZINC001207166147 968674333 /nfs/dbraw/zinc/67/43/33/968674333.db2.gz AWYYSACCNHOZQM-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1C/C=C/Cl)C(=O)C1CC1 ZINC001085449558 968721900 /nfs/dbraw/zinc/72/19/00/968721900.db2.gz XTVLQGZCOJGALL-SZHMKSFOSA-N 1 2 242.750 1.682 20 0 BDADLO CN(C[C@H]1CC[N@H+]1C/C=C/Cl)C(=O)C1CC1 ZINC001085449558 968721907 /nfs/dbraw/zinc/72/19/07/968721907.db2.gz XTVLQGZCOJGALL-SZHMKSFOSA-N 1 2 242.750 1.682 20 0 BDADLO OC[C@H]1C[N@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC001207461192 968780126 /nfs/dbraw/zinc/78/01/26/968780126.db2.gz KWYPECCRDCIURR-WDEREUQCSA-N 1 2 249.301 1.363 20 0 BDADLO OC[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CC(F)(F)C1 ZINC001207461192 968780127 /nfs/dbraw/zinc/78/01/27/968780127.db2.gz KWYPECCRDCIURR-WDEREUQCSA-N 1 2 249.301 1.363 20 0 BDADLO Fc1ccccc1CC[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001207504762 968808398 /nfs/dbraw/zinc/80/83/98/968808398.db2.gz QLWCKHWVTALFCZ-TXEJJXNPSA-N 1 2 221.275 1.841 20 0 BDADLO Fc1ccccc1CC[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001207504762 968808405 /nfs/dbraw/zinc/80/84/05/968808405.db2.gz QLWCKHWVTALFCZ-TXEJJXNPSA-N 1 2 221.275 1.841 20 0 BDADLO Fc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001207516737 968815081 /nfs/dbraw/zinc/81/50/81/968815081.db2.gz IMSFQOJFANDZKV-QWHCGFSZSA-N 1 2 221.275 1.841 20 0 BDADLO Fc1ccc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001207516737 968815084 /nfs/dbraw/zinc/81/50/84/968815084.db2.gz IMSFQOJFANDZKV-QWHCGFSZSA-N 1 2 221.275 1.841 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1CC1(c2ccccc2)CC1 ZINC001207833799 968895082 /nfs/dbraw/zinc/89/50/82/968895082.db2.gz OIBCUDVCSCOAEW-ZDUSSCGKSA-N 1 2 245.322 1.966 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1CC1(c2ccccc2)CC1 ZINC001207833799 968895086 /nfs/dbraw/zinc/89/50/86/968895086.db2.gz OIBCUDVCSCOAEW-ZDUSSCGKSA-N 1 2 245.322 1.966 20 0 BDADLO CCCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108231798 968902269 /nfs/dbraw/zinc/90/22/69/968902269.db2.gz JDGHNNUFPYCQFO-VIFPVBQESA-N 1 2 236.319 1.502 20 0 BDADLO CCCCOC1C[NH+](C[C@H](O)COC(C)C)C1 ZINC001252674222 968908379 /nfs/dbraw/zinc/90/83/79/968908379.db2.gz GMDCEXIQKKMMEF-LBPRGKRZSA-N 1 2 245.363 1.273 20 0 BDADLO CC(C)(C)N1CC[N@H+](C[C@H]2CCCO2)CC1=O ZINC001207860708 968910313 /nfs/dbraw/zinc/91/03/13/968910313.db2.gz GFPSGHCIMUXYQJ-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)(C)N1CC[N@@H+](C[C@H]2CCCO2)CC1=O ZINC001207860708 968910317 /nfs/dbraw/zinc/91/03/17/968910317.db2.gz GFPSGHCIMUXYQJ-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC(=O)Nc1cc(C)c(-c2cc[nH+]c(N)c2)cn1 ZINC001241170168 968944038 /nfs/dbraw/zinc/94/40/38/968944038.db2.gz VVCSMAXKCNPKJX-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@@H](O)COC(C)(C)C ZINC001253445893 969177425 /nfs/dbraw/zinc/17/74/25/969177425.db2.gz HWLYQCOBPPCXFB-SECBINFHSA-N 1 2 227.308 1.306 20 0 BDADLO Cn1cc(Nc2cccc3[nH+]ccn32)cn1 ZINC000166408322 969186997 /nfs/dbraw/zinc/18/69/97/969186997.db2.gz KXUSNWNEIYUMIU-UHFFFAOYSA-N 1 2 213.244 1.811 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC001329549778 969187773 /nfs/dbraw/zinc/18/77/73/969187773.db2.gz YYFGMSPJUBQVMM-VHSXEESVSA-N 1 2 246.318 1.116 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108330339 969213747 /nfs/dbraw/zinc/21/37/47/969213747.db2.gz SHYVAXBAKUGDHF-BSKOKIOFSA-N 1 2 248.330 1.668 20 0 BDADLO Cc1cc(NCCn2cnnc2)c[nH+]c1C ZINC001168874489 969255286 /nfs/dbraw/zinc/25/52/86/969255286.db2.gz FYBHNAJRQMKEJE-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO CC1(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CCCCC1 ZINC001208904250 969290940 /nfs/dbraw/zinc/29/09/40/969290940.db2.gz ZSXIHBKGKQBQIB-QWRGUYRKSA-N 1 2 223.316 1.957 20 0 BDADLO CC1(C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CCCCC1 ZINC001208904250 969290941 /nfs/dbraw/zinc/29/09/41/969290941.db2.gz ZSXIHBKGKQBQIB-QWRGUYRKSA-N 1 2 223.316 1.957 20 0 BDADLO CCCS(=O)(=O)Nc1cccc2[nH+]ccn21 ZINC001253600841 969295123 /nfs/dbraw/zinc/29/51/23/969295123.db2.gz XFCSPDUPTHNDSI-UHFFFAOYSA-N 1 2 239.300 1.486 20 0 BDADLO COCCC[NH+]1CC(Oc2ccccc2F)C1 ZINC001209053487 969335767 /nfs/dbraw/zinc/33/57/67/969335767.db2.gz JNNFUNISXYDYIW-UHFFFAOYSA-N 1 2 239.290 1.925 20 0 BDADLO c1cncc(CCC[N@@H+]2Cc3cncnc3C2)c1 ZINC001209171085 969368360 /nfs/dbraw/zinc/36/83/60/969368360.db2.gz CIOLZJVUPYFXDV-UHFFFAOYSA-N 1 2 240.310 1.820 20 0 BDADLO c1cncc(CCC[N@H+]2Cc3cncnc3C2)c1 ZINC001209171085 969368366 /nfs/dbraw/zinc/36/83/66/969368366.db2.gz CIOLZJVUPYFXDV-UHFFFAOYSA-N 1 2 240.310 1.820 20 0 BDADLO CCCn1c[nH+]cc1CN[C@@H](C)C(=O)OCC ZINC000090205138 969392309 /nfs/dbraw/zinc/39/23/09/969392309.db2.gz YNJXZGIRLSZHLI-JTQLQIEISA-N 1 2 239.319 1.334 20 0 BDADLO CCCc1nnc(CCn2cc[nH+]c2)o1 ZINC001253957564 969429847 /nfs/dbraw/zinc/42/98/47/969429847.db2.gz MUKYGSQXRFZKOX-UHFFFAOYSA-N 1 2 206.249 1.461 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c3ccccc3nn2C)CCO1 ZINC001209533904 969534449 /nfs/dbraw/zinc/53/44/49/969534449.db2.gz FBDQBRPMEMFYLI-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c3ccccc3nn2C)CCO1 ZINC001209533904 969534451 /nfs/dbraw/zinc/53/44/51/969534451.db2.gz FBDQBRPMEMFYLI-LLVKDONJSA-N 1 2 245.326 1.794 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001209556984 969542317 /nfs/dbraw/zinc/54/23/17/969542317.db2.gz JMBZGAOEZPFZEU-RTCCRHLQSA-N 1 2 209.268 1.365 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001209556984 969542319 /nfs/dbraw/zinc/54/23/19/969542319.db2.gz JMBZGAOEZPFZEU-RTCCRHLQSA-N 1 2 209.268 1.365 20 0 BDADLO COc1cc(C[N@H+]2CCC(=O)[C@@H](C)CC2)ccn1 ZINC001209637629 969571017 /nfs/dbraw/zinc/57/10/17/969571017.db2.gz LIWNVXANJSYHSB-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1cc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)ccn1 ZINC001209637629 969571023 /nfs/dbraw/zinc/57/10/23/969571023.db2.gz LIWNVXANJSYHSB-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO Cc1cc(N)n(Nc2cc(C)[nH+]c(C)n2)c(=O)c1 ZINC001169296854 969571753 /nfs/dbraw/zinc/57/17/53/969571753.db2.gz NERSOODFSNEQES-UHFFFAOYSA-N 1 2 245.286 1.021 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCCOC2)CCCC1 ZINC001254360576 969573035 /nfs/dbraw/zinc/57/30/35/969573035.db2.gz FKDYJMRUAVORCO-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccc2N)CCCO1 ZINC001209727058 969579142 /nfs/dbraw/zinc/57/91/42/969579142.db2.gz IYYDZAJVGKTHKT-SNVBAGLBSA-N 1 2 221.304 1.105 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccc2N)CCCO1 ZINC001209727058 969579149 /nfs/dbraw/zinc/57/91/49/969579149.db2.gz IYYDZAJVGKTHKT-SNVBAGLBSA-N 1 2 221.304 1.105 20 0 BDADLO Nc1cc[nH+]cc1CN1CCC(F)CC1 ZINC001209726631 969580886 /nfs/dbraw/zinc/58/08/86/969580886.db2.gz HWRJQAAPWIFRJS-UHFFFAOYSA-N 1 2 209.268 1.428 20 0 BDADLO Nc1ccncc1C[NH+]1CCC(F)CC1 ZINC001209726631 969580888 /nfs/dbraw/zinc/58/08/88/969580888.db2.gz HWRJQAAPWIFRJS-UHFFFAOYSA-N 1 2 209.268 1.428 20 0 BDADLO CCC(CC)([NH2+][C@H]1CCCOC1)C(=O)OC ZINC001254373413 969588405 /nfs/dbraw/zinc/58/84/05/969588405.db2.gz BABJCXHNDUIRQT-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO Cc1cc(=N)n(-c2c[nH+]c(N)cc2C)cc1N ZINC001209966076 969729451 /nfs/dbraw/zinc/72/94/51/969729451.db2.gz RPERVHYCXHPXKA-UHFFFAOYSA-N 1 2 229.287 1.133 20 0 BDADLO Cc1cc(N)[nH+]cc1Nc1c[nH]ccc1=O ZINC001209965945 969733653 /nfs/dbraw/zinc/73/36/53/969733653.db2.gz JVKRCJLYBUKNQX-UHFFFAOYSA-N 1 2 216.244 1.404 20 0 BDADLO CNc1ccc(Nc2c[nH]nc2C(=O)OC)c[nH+]1 ZINC001169572839 969768496 /nfs/dbraw/zinc/76/84/96/969768496.db2.gz AEHLXDAXVJKEJT-UHFFFAOYSA-N 1 2 247.258 1.377 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2ocnc2c1 ZINC001169654434 969800735 /nfs/dbraw/zinc/80/07/35/969800735.db2.gz RDPKNHRVXFJLBV-NSHDSACASA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccc2ocnc2c1 ZINC001169654434 969800739 /nfs/dbraw/zinc/80/07/39/969800739.db2.gz RDPKNHRVXFJLBV-NSHDSACASA-N 1 2 247.298 1.570 20 0 BDADLO COC(=O)C1([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254922172 969822457 /nfs/dbraw/zinc/82/24/57/969822457.db2.gz MHZLSUMSJCZNNC-RKDXNWHRSA-N 1 2 237.299 1.039 20 0 BDADLO CO[C@@H](C)CNc1ccc(N(C)C)c[nH+]1 ZINC001169776834 969840457 /nfs/dbraw/zinc/84/04/57/969840457.db2.gz OHOTUYVQJREQEY-VIFPVBQESA-N 1 2 209.293 1.594 20 0 BDADLO Cc1[nH+]cc(Nc2ncccc2N)cc1N ZINC001210285704 969850976 /nfs/dbraw/zinc/85/09/76/969850976.db2.gz PLYVLRNDCNZWQO-UHFFFAOYSA-N 1 2 215.260 1.693 20 0 BDADLO FC1(F)C[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169902304 969879099 /nfs/dbraw/zinc/87/90/99/969879099.db2.gz PTYUUACYXLQNFV-IUCAKERBSA-N 1 2 233.258 1.669 20 0 BDADLO O=C1CCC[N@H+](C2CCSCC2)C[C@@H]1F ZINC001255088373 969925926 /nfs/dbraw/zinc/92/59/26/969925926.db2.gz UAGLHZKFOZNMBC-JTQLQIEISA-N 1 2 231.336 1.885 20 0 BDADLO O=C1CCC[N@@H+](C2CCSCC2)C[C@@H]1F ZINC001255088373 969925928 /nfs/dbraw/zinc/92/59/28/969925928.db2.gz UAGLHZKFOZNMBC-JTQLQIEISA-N 1 2 231.336 1.885 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc2cc(F)ccc2c[nH+]1 ZINC001169980075 969929871 /nfs/dbraw/zinc/92/98/71/969929871.db2.gz YSZAADBXQZJIJG-QMMMGPOBSA-N 1 2 247.273 1.920 20 0 BDADLO CCC(CC)([NH2+][C@H]1CCSC1)C(=O)OC ZINC001255279265 970030624 /nfs/dbraw/zinc/03/06/24/970030624.db2.gz ITKOOAIPWIAZEK-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO COCn1cc(Nc2cc(C)[nH+]c(OC)c2)cn1 ZINC001210779051 970027994 /nfs/dbraw/zinc/02/79/94/970027994.db2.gz DOLRIXKXFJGHRS-UHFFFAOYSA-N 1 2 248.286 1.943 20 0 BDADLO FC1(F)C[NH2+]CCN(C[C@H]2CC=CCC2)C1 ZINC001210815432 970049079 /nfs/dbraw/zinc/04/90/79/970049079.db2.gz UEVHUAHFNHPWEV-NSHDSACASA-N 1 2 230.302 1.883 20 0 BDADLO CC(=O)[C@@H](N[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001255412555 970128815 /nfs/dbraw/zinc/12/88/15/970128815.db2.gz SAZKQLITQDGUOP-UONOGXRCSA-N 1 2 232.327 1.610 20 0 BDADLO CC(=O)[C@@H](N[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001255412555 970128822 /nfs/dbraw/zinc/12/88/22/970128822.db2.gz SAZKQLITQDGUOP-UONOGXRCSA-N 1 2 232.327 1.610 20 0 BDADLO CN1CC[C@H]([N@@H+]2CCOc3ccccc3C2)C1 ZINC001255436904 970166133 /nfs/dbraw/zinc/16/61/33/970166133.db2.gz WPXQBXWIHKPDKT-ZDUSSCGKSA-N 1 2 232.327 1.585 20 0 BDADLO CN1CC[C@H]([N@H+]2CCOc3ccccc3C2)C1 ZINC001255436904 970166137 /nfs/dbraw/zinc/16/61/37/970166137.db2.gz WPXQBXWIHKPDKT-ZDUSSCGKSA-N 1 2 232.327 1.585 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324619256 970249220 /nfs/dbraw/zinc/24/92/20/970249220.db2.gz RGYPGYNXINNAPV-MRVPVSSYSA-N 1 2 236.300 1.848 20 0 BDADLO CNC(=O)Cc1ccccc1-c1c[nH+]cn1C ZINC001243068481 970257418 /nfs/dbraw/zinc/25/74/18/970257418.db2.gz AIYOBQOLCAKPQK-UHFFFAOYSA-N 1 2 229.283 1.376 20 0 BDADLO CC1(C)C[C@@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001255535963 970299808 /nfs/dbraw/zinc/29/98/08/970299808.db2.gz OGDDMUKVUCIHQJ-JTQLQIEISA-N 1 2 248.317 1.485 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCOC(C)(C)C2)no1 ZINC001255535595 970300138 /nfs/dbraw/zinc/30/01/38/970300138.db2.gz MYZUKCFDOFIKOS-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCOC(C)(C)C2)no1 ZINC001255535595 970300142 /nfs/dbraw/zinc/30/01/42/970300142.db2.gz MYZUKCFDOFIKOS-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO Cc1cc(C)c(Nc2c(N)cnn2C)c[nH+]1 ZINC001213508078 970329328 /nfs/dbraw/zinc/32/93/28/970329328.db2.gz KSSZWQYJJJQPNE-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1cc(C)c(Nc2cnnn2C)c[nH+]1 ZINC001213511155 970329526 /nfs/dbraw/zinc/32/95/26/970329526.db2.gz ZMOYSOOJNQWEMS-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO Cc1cc(C)c(Nc2cncc(N)n2)c[nH+]1 ZINC001213505678 970329559 /nfs/dbraw/zinc/32/95/59/970329559.db2.gz MLVRSUNOWFDEAU-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO COC[C@H](C)[NH2+]C1(c2ccccc2F)COC1 ZINC001255558752 970340701 /nfs/dbraw/zinc/34/07/01/970340701.db2.gz UXAXZEPHHNOFCO-JTQLQIEISA-N 1 2 239.290 1.676 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1c1nnc([C@H]2CCOC2)o1 ZINC001255573774 970369499 /nfs/dbraw/zinc/36/94/99/970369499.db2.gz VEXAVASZRWFJOG-UWVGGRQHSA-N 1 2 237.303 1.729 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1c1nnc([C@H]2CCOC2)o1 ZINC001255573774 970369508 /nfs/dbraw/zinc/36/95/08/970369508.db2.gz VEXAVASZRWFJOG-UWVGGRQHSA-N 1 2 237.303 1.729 20 0 BDADLO COC[C@H](C)[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001255575869 970372122 /nfs/dbraw/zinc/37/21/22/970372122.db2.gz KSBSIFADGTVLOW-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO COC[C@H](C)[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001255575869 970372133 /nfs/dbraw/zinc/37/21/33/970372133.db2.gz KSBSIFADGTVLOW-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1c1nnc([C@@H]2CCOC2)o1 ZINC001255573775 970373694 /nfs/dbraw/zinc/37/36/94/970373694.db2.gz VEXAVASZRWFJOG-ZJUUUORDSA-N 1 2 237.303 1.729 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1c1nnc([C@@H]2CCOC2)o1 ZINC001255573775 970373705 /nfs/dbraw/zinc/37/37/05/970373705.db2.gz VEXAVASZRWFJOG-ZJUUUORDSA-N 1 2 237.303 1.729 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001255581326 970382177 /nfs/dbraw/zinc/38/21/77/970382177.db2.gz KQUDHQMNVDEXNW-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001255581326 970382187 /nfs/dbraw/zinc/38/21/87/970382187.db2.gz KQUDHQMNVDEXNW-WCQYABFASA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H]1COCC[N@@H+]1[C@H](C)CC(F)(F)F ZINC001255661320 970442316 /nfs/dbraw/zinc/44/23/16/970442316.db2.gz BUXWOTLTTIYWOF-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@H]1COCC[N@H+]1[C@H](C)CC(F)(F)F ZINC001255661320 970442331 /nfs/dbraw/zinc/44/23/31/970442331.db2.gz BUXWOTLTTIYWOF-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H](c1nnc(C2CCOCC2)o1)n1cc[nH+]c1 ZINC001255669671 970447830 /nfs/dbraw/zinc/44/78/30/970447830.db2.gz VVBLSWDZMDLTSM-SECBINFHSA-N 1 2 248.286 1.769 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2CC(=O)C2)[nH+]1 ZINC001157607782 970490989 /nfs/dbraw/zinc/49/09/89/970490989.db2.gz OTVGURRXPMTINM-UHFFFAOYSA-N 1 2 230.271 1.657 20 0 BDADLO C[C@H](CS(=O)(=O)c1ccccc1)[NH+](C)C ZINC001255813218 970501859 /nfs/dbraw/zinc/50/18/59/970501859.db2.gz OUHLDZSCNOGKOD-SNVBAGLBSA-N 1 2 227.329 1.410 20 0 BDADLO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001170227842 970632183 /nfs/dbraw/zinc/63/21/83/970632183.db2.gz QCPWSXIFRYKRIJ-GMTAPVOTSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001170227842 970632196 /nfs/dbraw/zinc/63/21/96/970632196.db2.gz QCPWSXIFRYKRIJ-GMTAPVOTSA-N 1 2 249.301 1.646 20 0 BDADLO COc1cccc(C[C@@H](C)[NH2+][C@H]2CCOC2=O)c1 ZINC001256143983 970668647 /nfs/dbraw/zinc/66/86/47/970668647.db2.gz LKFVPFGROJSENU-MFKMUULPSA-N 1 2 249.310 1.531 20 0 BDADLO Cn1c[nH+]cc1COCCOC1CCCC1 ZINC001222600126 972598362 /nfs/dbraw/zinc/59/83/62/972598362.db2.gz KMGSPPXIRIXISQ-UHFFFAOYSA-N 1 2 224.304 1.896 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn[nH]1)C1CCC(F)CC1 ZINC001327588685 972655349 /nfs/dbraw/zinc/65/53/49/972655349.db2.gz QWRXEHPERKCCET-XNWIYYODSA-N 1 2 226.299 1.811 20 0 BDADLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)C[C@@H]2C=C[C@H]1C2 ZINC001144267062 972730801 /nfs/dbraw/zinc/73/08/01/972730801.db2.gz SCENXEBLUIPBNY-MBNYWOFBSA-N 1 2 245.326 1.602 20 0 BDADLO CCc1cccc(C[NH+]2CCN(C#N)CC2)c1 ZINC001144328613 972769512 /nfs/dbraw/zinc/76/95/12/972769512.db2.gz AACVJZFUVRFMDA-UHFFFAOYSA-N 1 2 229.327 1.848 20 0 BDADLO COc1ncc(C[N@@H+]2CCCOCC2)cc1F ZINC001144450966 972828388 /nfs/dbraw/zinc/82/83/88/972828388.db2.gz JYLLIQKNNRUROV-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO COc1ncc(C[N@H+]2CCCOCC2)cc1F ZINC001144450966 972828392 /nfs/dbraw/zinc/82/83/92/972828392.db2.gz JYLLIQKNNRUROV-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)cc(O)cc2F)C[C@H]1O ZINC001144542135 972862174 /nfs/dbraw/zinc/86/21/74/972862174.db2.gz PRDRZBDESJNVIR-JVXZTZIISA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)cc(O)cc2F)C[C@H]1O ZINC001144542135 972862179 /nfs/dbraw/zinc/86/21/79/972862179.db2.gz PRDRZBDESJNVIR-JVXZTZIISA-N 1 2 243.253 1.483 20 0 BDADLO C[NH+]1CC(OCc2noc(C(C)(C)C)n2)C1 ZINC001223184463 972868826 /nfs/dbraw/zinc/86/88/26/972868826.db2.gz UHVSJJILUUBDDU-UHFFFAOYSA-N 1 2 225.292 1.198 20 0 BDADLO C[C@@H](C(=O)N1CC(C(F)(F)F)C1)n1cc[nH+]c1 ZINC001328127336 972884215 /nfs/dbraw/zinc/88/42/15/972884215.db2.gz SAZHLQZSGOFNJP-ZETCQYMHSA-N 1 2 247.220 1.465 20 0 BDADLO Cc1cc(COC(=O)[C@H](C)O)cc(C)[nH+]1 ZINC001223421722 973055025 /nfs/dbraw/zinc/05/50/25/973055025.db2.gz QHDYIJWAJIDDOV-VIFPVBQESA-N 1 2 209.245 1.122 20 0 BDADLO Cc1cc(COC[C@H]2COCO2)cc(C)[nH+]1 ZINC001223420147 973055356 /nfs/dbraw/zinc/05/53/56/973055356.db2.gz IHXDIVJDBYBNAZ-LBPRGKRZSA-N 1 2 223.272 1.588 20 0 BDADLO CC[NH+]1CC(OCc2cnc(C)s2)C1 ZINC001223536889 973142641 /nfs/dbraw/zinc/14/26/41/973142641.db2.gz OHUHPECUNMPAPN-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCOCC1 ZINC001328658182 973241115 /nfs/dbraw/zinc/24/11/15/973241115.db2.gz XFRVYYVYKLPQNJ-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO C[NH+]1CC(NC(=O)CC2=CCCCC2)C1 ZINC001146747775 973248420 /nfs/dbraw/zinc/24/84/20/973248420.db2.gz CXIONBKKVMONOO-UHFFFAOYSA-N 1 2 208.305 1.307 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1csnn1 ZINC001146810599 973256887 /nfs/dbraw/zinc/25/68/87/973256887.db2.gz IIHKXTOCFGKPBH-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO O=C(NCc1ncc[nH]1)c1cc2c[nH+]ccc2[nH]1 ZINC001146805451 973267825 /nfs/dbraw/zinc/26/78/25/973267825.db2.gz BIKPUUKFMOHAPG-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO C[C@@H](C(=O)N1CCCC(F)(F)C1)n1cc[nH+]c1 ZINC001328840663 973366126 /nfs/dbraw/zinc/36/61/26/973366126.db2.gz LHLAGISRHGAKAB-VIFPVBQESA-N 1 2 243.257 1.702 20 0 BDADLO C/C=C/C[C@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001328993064 973416282 /nfs/dbraw/zinc/41/62/82/973416282.db2.gz QUMAHLGDCGYGAH-VUDBWIFFSA-N 1 2 220.320 1.983 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1ccnnc1 ZINC001147193275 973458198 /nfs/dbraw/zinc/45/81/98/973458198.db2.gz QDIGKDYKSJAAKH-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2cc(C)ncn2)o1 ZINC001329062615 973458510 /nfs/dbraw/zinc/45/85/10/973458510.db2.gz OWIPOAJMCJPBBR-UHFFFAOYSA-N 1 2 232.287 1.680 20 0 BDADLO Cn1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC001147342862 973545097 /nfs/dbraw/zinc/54/50/97/973545097.db2.gz LVDBOEOYJCJXAS-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO C[NH+]1CC(OCC(=O)OCc2ccccc2)C1 ZINC001224326720 973556961 /nfs/dbraw/zinc/55/69/61/973556961.db2.gz DTIQQKUBDSJGPA-UHFFFAOYSA-N 1 2 235.283 1.060 20 0 BDADLO C[C@@H](Cc1nnc(C[NH+](C)C)o1)c1cnn(C)c1 ZINC001329324160 973678357 /nfs/dbraw/zinc/67/83/57/973678357.db2.gz PWGVJALDUYULMK-VIFPVBQESA-N 1 2 249.318 1.211 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC001171319518 973799031 /nfs/dbraw/zinc/79/90/31/973799031.db2.gz IPHFXRLEDXBHOM-BBBLOLIVSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC001171319518 973799034 /nfs/dbraw/zinc/79/90/34/973799034.db2.gz IPHFXRLEDXBHOM-BBBLOLIVSA-N 1 2 241.360 1.549 20 0 BDADLO Cc1noc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000235457983 973847041 /nfs/dbraw/zinc/84/70/41/973847041.db2.gz VNVZSJSXRBAOMU-SSDOTTSWSA-N 1 2 207.237 1.075 20 0 BDADLO CCN(C(=O)c1ccc(C)cc1O)C1C[NH+](C)C1 ZINC001148504143 973853060 /nfs/dbraw/zinc/85/30/60/973853060.db2.gz IYCOBQUJMRRRJG-UHFFFAOYSA-N 1 2 248.326 1.477 20 0 BDADLO O=C(Cc1ccccc1)N[C@@H]1CCn2c[nH+]cc21 ZINC001329684671 973884063 /nfs/dbraw/zinc/88/40/63/973884063.db2.gz XHMFQHVDMOOHSO-GFCCVEGCSA-N 1 2 241.294 1.687 20 0 BDADLO Cc1cnc(C[NH2+]C2(CNC(=O)C3CC3)CC2)o1 ZINC001276992142 973887023 /nfs/dbraw/zinc/88/70/23/973887023.db2.gz SPSGANPUPLWIGN-UHFFFAOYSA-N 1 2 249.314 1.131 20 0 BDADLO CN(C)c1cc(NCc2cccnc2)[nH+]cn1 ZINC000585415383 973908696 /nfs/dbraw/zinc/90/86/96/973908696.db2.gz RAJILJIHTHSUCK-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CN(C)c1cc(NCc2cccnc2)nc[nH+]1 ZINC000585415383 973908711 /nfs/dbraw/zinc/90/87/11/973908711.db2.gz RAJILJIHTHSUCK-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CCC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001093446306 974016727 /nfs/dbraw/zinc/01/67/27/974016727.db2.gz WHFUGYSXZJSABE-UHFFFAOYSA-N 1 2 248.330 1.601 20 0 BDADLO Cc1nc(NCCNC(=O)[C@@H]2CC2(C)C)cc[nH+]1 ZINC001093586129 974030065 /nfs/dbraw/zinc/03/00/65/974030065.db2.gz ODSUDRIQWISMSS-JTQLQIEISA-N 1 2 248.330 1.359 20 0 BDADLO CCC(=O)[C@@H](CC)OCCC[NH+]1CCOCC1 ZINC001224870310 974039160 /nfs/dbraw/zinc/03/91/60/974039160.db2.gz PANFCWPXACXCRX-CYBMUJFWSA-N 1 2 243.347 1.483 20 0 BDADLO CC(C)CN(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001329956771 974052368 /nfs/dbraw/zinc/05/23/68/974052368.db2.gz LDHZYTFYRKHXDK-UHFFFAOYSA-N 1 2 236.319 1.407 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Oc2ccccc2C)C[N@@H+]1C ZINC001225216761 974249651 /nfs/dbraw/zinc/24/96/51/974249651.db2.gz LGQBFAJRMDRCRH-NEPJUHHUSA-N 1 2 249.310 1.620 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Oc2ccccc2C)C[N@H+]1C ZINC001225216761 974249654 /nfs/dbraw/zinc/24/96/54/974249654.db2.gz LGQBFAJRMDRCRH-NEPJUHHUSA-N 1 2 249.310 1.620 20 0 BDADLO C[C@H]1CCC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001330548515 974308117 /nfs/dbraw/zinc/30/81/17/974308117.db2.gz YOYJPCJDHVMYGA-UWVGGRQHSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@H]1CCC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001330548515 974308122 /nfs/dbraw/zinc/30/81/22/974308122.db2.gz YOYJPCJDHVMYGA-UWVGGRQHSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc[nH]n2)[C@H]2CCCC[C@H]12 ZINC001330558652 974312786 /nfs/dbraw/zinc/31/27/86/974312786.db2.gz HGAGYRNHCXZXBE-MXWKQRLJSA-N 1 2 220.320 1.815 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc[nH]n2)[C@H]2CCCC[C@H]12 ZINC001330558652 974312788 /nfs/dbraw/zinc/31/27/88/974312788.db2.gz HGAGYRNHCXZXBE-MXWKQRLJSA-N 1 2 220.320 1.815 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)CC(F)F)CC1=O ZINC001172049109 974328256 /nfs/dbraw/zinc/32/82/56/974328256.db2.gz KQMSUBOKLJPRMK-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)CC(F)F)CC1=O ZINC001172049109 974328263 /nfs/dbraw/zinc/32/82/63/974328263.db2.gz KQMSUBOKLJPRMK-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)cn1 ZINC001225276756 974342011 /nfs/dbraw/zinc/34/20/11/974342011.db2.gz FAXXQEQQHHYUBT-GFCCVEGCSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001225276756 974342019 /nfs/dbraw/zinc/34/20/19/974342019.db2.gz FAXXQEQQHHYUBT-GFCCVEGCSA-N 1 2 222.288 1.099 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)ccn1 ZINC001204082521 974346763 /nfs/dbraw/zinc/34/67/63/974346763.db2.gz SGANPMMTTFNAOS-VXGBXAGGSA-N 1 2 204.273 1.445 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)ccn1 ZINC001204082521 974346769 /nfs/dbraw/zinc/34/67/69/974346769.db2.gz SGANPMMTTFNAOS-VXGBXAGGSA-N 1 2 204.273 1.445 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1ccncc1 ZINC001225290640 974360702 /nfs/dbraw/zinc/36/07/02/974360702.db2.gz DKNUIJHNESMKGX-LLVKDONJSA-N 1 2 222.288 1.181 20 0 BDADLO CCCOC(=O)[C@H](C)Oc1cc[nH+]cc1 ZINC001225291371 974364227 /nfs/dbraw/zinc/36/42/27/974364227.db2.gz UASDAIIERDVYRC-VIFPVBQESA-N 1 2 209.245 1.802 20 0 BDADLO CO[C@@H](C)CO[C@H](C)COc1cc[nH+]cc1 ZINC001225296481 974373312 /nfs/dbraw/zinc/37/33/12/974373312.db2.gz VZMYTTDGKHTETD-WDEREUQCSA-N 1 2 225.288 1.900 20 0 BDADLO COC[C@H](C)OC[C@H](C)Oc1cc[nH+]cc1 ZINC001225296198 974373994 /nfs/dbraw/zinc/37/39/94/974373994.db2.gz QPZUBNBGOLZYAC-QWRGUYRKSA-N 1 2 225.288 1.900 20 0 BDADLO O=C1CC[C@H]2C[C@@H]([N@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161428 974421099 /nfs/dbraw/zinc/42/10/99/974421099.db2.gz HNHNPILCGUJODP-XWLWVQCSSA-N 1 2 244.285 1.132 20 0 BDADLO O=C1CC[C@H]2C[C@@H]([N@@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161428 974421105 /nfs/dbraw/zinc/42/11/05/974421105.db2.gz HNHNPILCGUJODP-XWLWVQCSSA-N 1 2 244.285 1.132 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@H]1C=CCCC1 ZINC001330757843 974453538 /nfs/dbraw/zinc/45/35/38/974453538.db2.gz HNCDZPQAMDJJTQ-QWRGUYRKSA-N 1 2 246.314 1.216 20 0 BDADLO FC1(F)C[NH2+]CCN(C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172222075 974458112 /nfs/dbraw/zinc/45/81/12/974458112.db2.gz RXJXTDIHOBCYOD-FGWVZKOKSA-N 1 2 246.301 1.237 20 0 BDADLO C[N@H+](CC(F)F)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172195483 974481943 /nfs/dbraw/zinc/48/19/43/974481943.db2.gz ZWIFTFQKALQAOV-DTWKUNHWSA-N 1 2 232.274 1.337 20 0 BDADLO C[N@@H+](CC(F)F)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172195483 974481949 /nfs/dbraw/zinc/48/19/49/974481949.db2.gz ZWIFTFQKALQAOV-DTWKUNHWSA-N 1 2 232.274 1.337 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC001331027765 974565442 /nfs/dbraw/zinc/56/54/42/974565442.db2.gz SRDFJIPRHUOAMC-OIBJUYFYSA-N 1 2 225.292 1.454 20 0 BDADLO C[C@@H]1CC[C@H]([N@@H+]2CCOC(=O)C2)C[C@H]1C ZINC001172379908 974585312 /nfs/dbraw/zinc/58/53/12/974585312.db2.gz PXSQILYQWVHXCV-MXWKQRLJSA-N 1 2 211.305 1.670 20 0 BDADLO C[C@@H]1CC[C@H]([N@H+]2CCOC(=O)C2)C[C@H]1C ZINC001172379908 974585319 /nfs/dbraw/zinc/58/53/19/974585319.db2.gz PXSQILYQWVHXCV-MXWKQRLJSA-N 1 2 211.305 1.670 20 0 BDADLO CC[NH+]1CC(Oc2nc(C)cc(C)n2)C1 ZINC001225641964 974614599 /nfs/dbraw/zinc/61/45/99/974614599.db2.gz KGIXJXYLQZSDEI-UHFFFAOYSA-N 1 2 207.277 1.176 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3cc[nH]c3c2)C1 ZINC001225652698 974622363 /nfs/dbraw/zinc/62/23/63/974622363.db2.gz AZMCEXZKIRSLSV-CYBMUJFWSA-N 1 2 246.310 1.877 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3cc[nH]c3c2)C1 ZINC001225652698 974622367 /nfs/dbraw/zinc/62/23/67/974622367.db2.gz AZMCEXZKIRSLSV-CYBMUJFWSA-N 1 2 246.310 1.877 20 0 BDADLO c1[nH+]cn2c1CN(C[C@H]1CC[C@H](C3CC3)O1)CC2 ZINC001331252503 974661320 /nfs/dbraw/zinc/66/13/20/974661320.db2.gz GCJMFUMIWXVOSW-ZIAGYGMSSA-N 1 2 247.342 1.656 20 0 BDADLO C[C@@H](C(=O)N[C@@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001331283794 974670893 /nfs/dbraw/zinc/67/08/93/974670893.db2.gz WRLMIIVBCRDLLN-CABZTGNLSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@H](C(=O)N[C@@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001331283796 974671455 /nfs/dbraw/zinc/67/14/55/974671455.db2.gz WRLMIIVBCRDLLN-SKDRFNHKSA-N 1 2 221.304 1.749 20 0 BDADLO CCOCC[C@H](C)[NH2+]C1(C(=O)OCC)CCC1 ZINC001172413089 974680832 /nfs/dbraw/zinc/68/08/32/974680832.db2.gz GLYVSBUQWWMYCY-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2cc(C)co2)CCO1 ZINC001331582799 974769280 /nfs/dbraw/zinc/76/92/80/974769280.db2.gz JOCOHCDZVXWJDM-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2cc(C)co2)CCO1 ZINC001331582799 974769285 /nfs/dbraw/zinc/76/92/85/974769285.db2.gz JOCOHCDZVXWJDM-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO CC[NH+]1CC(Oc2cncc(OC)c2)C1 ZINC001226094150 974786981 /nfs/dbraw/zinc/78/69/81/974786981.db2.gz FREDUUCVAAZORM-UHFFFAOYSA-N 1 2 208.261 1.173 20 0 BDADLO CC[C@]1(O)CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001331743520 974812946 /nfs/dbraw/zinc/81/29/46/974812946.db2.gz NJAFIBLJRVDLAW-LBPRGKRZSA-N 1 2 223.320 1.455 20 0 BDADLO CC[C@]1(O)CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001331743520 974812942 /nfs/dbraw/zinc/81/29/42/974812942.db2.gz NJAFIBLJRVDLAW-LBPRGKRZSA-N 1 2 223.320 1.455 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cccn3ccnc23)C1 ZINC001226212490 974828800 /nfs/dbraw/zinc/82/88/00/974828800.db2.gz DTLDXUIMKSTMMI-LLVKDONJSA-N 1 2 247.298 1.044 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cccn3ccnc23)C1 ZINC001226212490 974828803 /nfs/dbraw/zinc/82/88/03/974828803.db2.gz DTLDXUIMKSTMMI-LLVKDONJSA-N 1 2 247.298 1.044 20 0 BDADLO CC(C)[N@@H+]1CC[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324883 974855863 /nfs/dbraw/zinc/85/58/63/974855863.db2.gz VZUVQJQDGWYXFY-VIFPVBQESA-N 1 2 223.276 1.044 20 0 BDADLO Cc1nc(O[C@H]2CCC[N@@H+](C)C2)c(F)c(=O)[nH]1 ZINC001226421447 974891093 /nfs/dbraw/zinc/89/10/93/974891093.db2.gz NWNODUFRUNQYOC-QMMMGPOBSA-N 1 2 241.266 1.103 20 0 BDADLO Cc1nc(O[C@H]2CCC[N@H+](C)C2)c(F)c(=O)[nH]1 ZINC001226421447 974891097 /nfs/dbraw/zinc/89/10/97/974891097.db2.gz NWNODUFRUNQYOC-QMMMGPOBSA-N 1 2 241.266 1.103 20 0 BDADLO COC(=O)N1CCC([NH2+][C@@H]2CC2(F)F)CC1 ZINC001172732029 974911338 /nfs/dbraw/zinc/91/13/38/974911338.db2.gz URFFMKXBTSNOOG-MRVPVSSYSA-N 1 2 234.246 1.214 20 0 BDADLO COC(=O)c1ccc(OC2C[NH+](C)C2)c(C)c1 ZINC001226490614 974925802 /nfs/dbraw/zinc/92/58/02/974925802.db2.gz BGSLACWPOKNUPV-UHFFFAOYSA-N 1 2 235.283 1.474 20 0 BDADLO Cc1nc2ccccc2c(OC2C[NH+](C)C2)n1 ZINC001226552917 974952151 /nfs/dbraw/zinc/95/21/51/974952151.db2.gz CYBIXSQQZLURGK-UHFFFAOYSA-N 1 2 229.283 1.631 20 0 BDADLO C[C@H](c1nc(-c2cccc(=O)[nH]2)no1)[NH+](C)C ZINC001332344684 975062570 /nfs/dbraw/zinc/06/25/70/975062570.db2.gz SMZFKSHDYOCIBA-SSDOTTSWSA-N 1 2 234.259 1.460 20 0 BDADLO COCCn1cc(C[NH2+][C@@H](C)c2ncc[nH]2)cn1 ZINC001332378265 975081205 /nfs/dbraw/zinc/08/12/05/975081205.db2.gz AUWDMJGLRBOZOV-JTQLQIEISA-N 1 2 249.318 1.103 20 0 BDADLO CC[C@H]1CC[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC001173263356 975122268 /nfs/dbraw/zinc/12/22/68/975122268.db2.gz HXTZHNFKANJBNX-RCWTZXSCSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@H](CC(=O)Nc1ccc[n+]([O-])c1)n1cc[nH+]c1 ZINC001332695296 975256393 /nfs/dbraw/zinc/25/63/93/975256393.db2.gz WGLCOZCEFCDVNT-SNVBAGLBSA-N 1 2 246.270 1.106 20 0 BDADLO Cc1[nH]c(CNC(=O)c2nccnc2C)[nH+]c1C ZINC001332758726 975280026 /nfs/dbraw/zinc/28/00/26/975280026.db2.gz ZLZNNJDBYKQPHQ-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO CC[N@@H+]1CC[C@H](NCc2ccc(C)n2C)C1 ZINC001173352803 975301521 /nfs/dbraw/zinc/30/15/21/975301521.db2.gz VLJVTZIPIYZENF-LBPRGKRZSA-N 1 2 221.348 1.517 20 0 BDADLO CC[N@H+]1CC[C@H](NCc2ccc(C)n2C)C1 ZINC001173352803 975301525 /nfs/dbraw/zinc/30/15/25/975301525.db2.gz VLJVTZIPIYZENF-LBPRGKRZSA-N 1 2 221.348 1.517 20 0 BDADLO c1nnc(C[N@@H+]2CCCC3(CC3)C2)s1 ZINC001332886690 975309279 /nfs/dbraw/zinc/30/92/79/975309279.db2.gz LAVZJPYCFOUSKI-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO c1nnc(C[N@H+]2CCCC3(CC3)C2)s1 ZINC001332886690 975309284 /nfs/dbraw/zinc/30/92/84/975309284.db2.gz LAVZJPYCFOUSKI-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO CCN1CC[C@H]([NH+]2CC3(C2)CCCOC3)C1 ZINC001173361416 975332120 /nfs/dbraw/zinc/33/21/20/975332120.db2.gz SXJGGLPYWWKJRT-LBPRGKRZSA-N 1 2 224.348 1.193 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1cncnc1C ZINC001332944988 975332266 /nfs/dbraw/zinc/33/22/66/975332266.db2.gz FAKBRBHGHYTDAP-SECBINFHSA-N 1 2 246.318 1.247 20 0 BDADLO CC(=O)N1CC[C@@H](Oc2c(C)cc[nH+]c2C)C1 ZINC001227264934 975340029 /nfs/dbraw/zinc/34/00/29/975340029.db2.gz QBUKZFZDHGTJMZ-GFCCVEGCSA-N 1 2 234.299 1.698 20 0 BDADLO C[NH+]1CC(Oc2nc3cc(Cl)ccc3[nH]2)C1 ZINC001227261988 975340293 /nfs/dbraw/zinc/34/02/93/975340293.db2.gz ITESAHGSXUVYMX-UHFFFAOYSA-N 1 2 237.690 1.909 20 0 BDADLO CC[NH+]1CC(Oc2cccc(NC(C)=O)c2)C1 ZINC001227421734 975395527 /nfs/dbraw/zinc/39/55/27/975395527.db2.gz IUFZTYQZBNGBRE-UHFFFAOYSA-N 1 2 234.299 1.728 20 0 BDADLO COCc1ccc(OC2C[NH+](C)C2)cc1 ZINC001227668217 975592939 /nfs/dbraw/zinc/59/29/39/975592939.db2.gz SWBOHUWYEASHTD-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1ccsc1 ZINC001173819705 975593406 /nfs/dbraw/zinc/59/34/06/975593406.db2.gz KRVFGOZXGSKNQF-UHFFFAOYSA-N 1 2 237.284 1.693 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC001333293690 975625784 /nfs/dbraw/zinc/62/57/84/975625784.db2.gz XLWPOKHWGQRAAK-QWRGUYRKSA-N 1 2 238.287 1.241 20 0 BDADLO O=C(CC1CCC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001333423093 975764048 /nfs/dbraw/zinc/76/40/48/975764048.db2.gz DABXCPCPVIBTFS-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO C[C@H](C(=O)NC[C@@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001333556312 975846714 /nfs/dbraw/zinc/84/67/14/975846714.db2.gz BLLQOSCLPBLVQR-ZWNOBZJWSA-N 1 2 235.331 1.997 20 0 BDADLO Cc1ncoc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001333589341 975876347 /nfs/dbraw/zinc/87/63/47/975876347.db2.gz CNHAWDCGIIOCNT-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1ncoc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001333589341 975876348 /nfs/dbraw/zinc/87/63/48/975876348.db2.gz CNHAWDCGIIOCNT-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001333813547 976104247 /nfs/dbraw/zinc/10/42/47/976104247.db2.gz CCMKYPJHULGEEQ-OUAUKWLOSA-N 1 2 221.304 1.749 20 0 BDADLO Cc1[nH]c2ccc(OC(=O)C[C@@H](C)O)cc2[nH+]1 ZINC001228327236 976120482 /nfs/dbraw/zinc/12/04/82/976120482.db2.gz PSFRGBXGMNWATH-SSDOTTSWSA-N 1 2 234.255 1.548 20 0 BDADLO COc1cc[nH+]cc1Nc1ccccc1C(N)=O ZINC001173980140 976197020 /nfs/dbraw/zinc/19/70/20/976197020.db2.gz NHGHKNASJCWCEB-UHFFFAOYSA-N 1 2 243.266 1.933 20 0 BDADLO Cc1c[nH+]c(Nc2ccccc2C(N)=O)c(N)c1 ZINC001173980316 976203772 /nfs/dbraw/zinc/20/37/72/976203772.db2.gz VRYMGHDACBHDIV-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334041203 976243241 /nfs/dbraw/zinc/24/32/41/976243241.db2.gz FNNXQNFZXQYRAU-GHMZBOCLSA-N 1 2 248.330 1.597 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCCOCC2)o1 ZINC001334281278 976422123 /nfs/dbraw/zinc/42/21/23/976422123.db2.gz VINSHPDGFZBVNP-MRVPVSSYSA-N 1 2 211.265 1.161 20 0 BDADLO Cc1cccnc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC001334376370 976478974 /nfs/dbraw/zinc/47/89/74/976478974.db2.gz VZEXIMCZEWTVCC-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccnc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC001334376370 976478979 /nfs/dbraw/zinc/47/89/79/976478979.db2.gz VZEXIMCZEWTVCC-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO COc1cc[nH+]c(Nc2cnn(C)c2)c1 ZINC001174327751 976522727 /nfs/dbraw/zinc/52/27/27/976522727.db2.gz AKDZXAZUTHAAFY-UHFFFAOYSA-N 1 2 204.233 1.567 20 0 BDADLO Cc1[nH+]c2ccc(N)cc2n1-c1cnn(C)c1 ZINC001174330102 976535446 /nfs/dbraw/zinc/53/54/46/976535446.db2.gz PZADPPUEDRLNJW-UHFFFAOYSA-N 1 2 227.271 1.650 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001334601320 976563712 /nfs/dbraw/zinc/56/37/12/976563712.db2.gz ALCIWWSURCCDTB-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H]1CCC(=O)CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001334761375 976629379 /nfs/dbraw/zinc/62/93/79/976629379.db2.gz ZCZLVXAGTYCISW-VIFPVBQESA-N 1 2 249.314 1.267 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ncccc2C2CC2)C1 ZINC001229015246 976654555 /nfs/dbraw/zinc/65/45/55/976654555.db2.gz UNCNYPASTDEIEI-GFCCVEGCSA-N 1 2 248.326 1.668 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ncccc2C2CC2)C1 ZINC001229015246 976654569 /nfs/dbraw/zinc/65/45/69/976654569.db2.gz UNCNYPASTDEIEI-GFCCVEGCSA-N 1 2 248.326 1.668 20 0 BDADLO C[C@H](C(=O)NCCc1ccoc1)n1cc[nH+]c1 ZINC001334781877 976658291 /nfs/dbraw/zinc/65/82/91/976658291.db2.gz DTAQWKKBNSPIQR-SNVBAGLBSA-N 1 2 233.271 1.396 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccn3ccnc3c2)C1 ZINC001229109300 976738820 /nfs/dbraw/zinc/73/88/20/976738820.db2.gz SBLOJAWKENCFGF-LBPRGKRZSA-N 1 2 247.298 1.044 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccn3ccnc3c2)C1 ZINC001229109300 976738831 /nfs/dbraw/zinc/73/88/31/976738831.db2.gz SBLOJAWKENCFGF-LBPRGKRZSA-N 1 2 247.298 1.044 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)[C@H]1CCOC1 ZINC001334942255 976804321 /nfs/dbraw/zinc/80/43/21/976804321.db2.gz UTPIRCVBYZAJOV-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)[C@H]1CCOC1 ZINC001334942255 976804325 /nfs/dbraw/zinc/80/43/25/976804325.db2.gz UTPIRCVBYZAJOV-UWVGGRQHSA-N 1 2 236.319 1.380 20 0 BDADLO C[C@H](C(=O)NN1CCCC[C@H]1C)n1cc[nH+]c1 ZINC001335042673 976832290 /nfs/dbraw/zinc/83/22/90/976832290.db2.gz LICRGZBROWWFHY-GHMZBOCLSA-N 1 2 236.319 1.350 20 0 BDADLO C[NH+]1CC(Oc2ccnn2-c2ccccc2)C1 ZINC001229370855 976848615 /nfs/dbraw/zinc/84/86/15/976848615.db2.gz SEGLRAUMWSKVAD-UHFFFAOYSA-N 1 2 229.283 1.565 20 0 BDADLO Cc1cc(C[NH2+]Cc2ocnc2C)[nH]n1 ZINC001335109376 976854294 /nfs/dbraw/zinc/85/42/94/976854294.db2.gz MYYOOBDCCPHRSN-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC=CC[C@H]1C)n1cc[nH+]c1 ZINC001335363452 976995252 /nfs/dbraw/zinc/99/52/52/976995252.db2.gz MMLLNAPCTYGKIW-IJLUTSLNSA-N 1 2 233.315 1.915 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@@H](CF)C1)n1cc[nH+]c1 ZINC001330790455 977000030 /nfs/dbraw/zinc/00/00/30/977000030.db2.gz FQOIJEOTPTYFRH-QWRGUYRKSA-N 1 2 239.294 1.652 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nncn2C)cnc1F ZINC001335442099 977059926 /nfs/dbraw/zinc/05/99/26/977059926.db2.gz XIZGMPFURSATEV-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO CCc1cc(N2CC[C@@H]([C@H](C)O)C2)nc(CC)[nH+]1 ZINC001335478958 977084405 /nfs/dbraw/zinc/08/44/05/977084405.db2.gz NEFHEEVUIVACRH-WDEREUQCSA-N 1 2 249.358 1.809 20 0 BDADLO COC(=O)c1c(C)cc(OC2C[NH+](C)C2)cc1C ZINC001230303949 977173538 /nfs/dbraw/zinc/17/35/38/977173538.db2.gz YQJSESVJBXUNLJ-UHFFFAOYSA-N 1 2 249.310 1.783 20 0 BDADLO COC(=O)CCN(C)c1cccc(C2CC2)[nH+]1 ZINC000260071211 977196977 /nfs/dbraw/zinc/19/69/77/977196977.db2.gz BGQYGUZBZANSQO-UHFFFAOYSA-N 1 2 234.299 1.958 20 0 BDADLO C[NH+]1CC(Oc2cc3ccccc3[nH]2)C1 ZINC001230740272 977320170 /nfs/dbraw/zinc/32/01/70/977320170.db2.gz IYBIXMKOUCEWOK-UHFFFAOYSA-N 1 2 202.257 1.861 20 0 BDADLO COc1ccc2c(c1)ncnc2OC1C[NH+](C)C1 ZINC001230862970 977353428 /nfs/dbraw/zinc/35/34/28/977353428.db2.gz VNHSTQWKMNCPTB-UHFFFAOYSA-N 1 2 245.282 1.331 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC001335906765 977360934 /nfs/dbraw/zinc/36/09/34/977360934.db2.gz OUYCAEHPJVZYTH-YBJDMEARSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCO[C@@](C)(CC)C1 ZINC001335906765 977360941 /nfs/dbraw/zinc/36/09/41/977360941.db2.gz OUYCAEHPJVZYTH-YBJDMEARSA-N 1 2 241.331 1.607 20 0 BDADLO CN(C)c1ccc(Nc2ncccc2CO)c[nH+]1 ZINC001175341532 977363441 /nfs/dbraw/zinc/36/34/41/977363441.db2.gz UEXRJWPDHGQPPT-UHFFFAOYSA-N 1 2 244.298 1.779 20 0 BDADLO CN(C)c1ccc(Nc2cncc(CO)c2)c[nH+]1 ZINC001175342262 977364632 /nfs/dbraw/zinc/36/46/32/977364632.db2.gz QWVFKBDGXQNMFE-UHFFFAOYSA-N 1 2 244.298 1.779 20 0 BDADLO Oc1cc2c(cc1OC1COCOC1)CC[NH+]=C2 ZINC001230919508 977384440 /nfs/dbraw/zinc/38/44/40/977384440.db2.gz DNYVKLCNRQEHDF-UHFFFAOYSA-N 1 2 249.266 1.119 20 0 BDADLO Cc1nonc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175338646 977388092 /nfs/dbraw/zinc/38/80/92/977388092.db2.gz JHFZYUHWFZZWGA-UHFFFAOYSA-N 1 2 219.248 1.583 20 0 BDADLO Cn1cncc1-c1ccc(OC2C[NH+](C)C2)cc1 ZINC001231082906 977471387 /nfs/dbraw/zinc/47/13/87/977471387.db2.gz WFKBSGCSYKFLCC-UHFFFAOYSA-N 1 2 243.310 1.780 20 0 BDADLO CN1CC(Oc2ccc(-c3c[nH+]cn3C)cc2)C1 ZINC001231082906 977471400 /nfs/dbraw/zinc/47/14/00/977471400.db2.gz WFKBSGCSYKFLCC-UHFFFAOYSA-N 1 2 243.310 1.780 20 0 BDADLO c1c[nH+]c(-c2ccc(OC3COC3)cc2)[nH]1 ZINC001231084005 977474197 /nfs/dbraw/zinc/47/41/97/977474197.db2.gz SFONJPNIYLCMPF-UHFFFAOYSA-N 1 2 216.240 1.854 20 0 BDADLO C[N@@H+]1CCCC(=Nc2cc3n(n2)CCCO3)C1 ZINC001175577071 977590472 /nfs/dbraw/zinc/59/04/72/977590472.db2.gz PQTPGLJZPFGEMB-UHFFFAOYSA-N 1 2 234.303 1.297 20 0 BDADLO C[N@H+]1CCCC(=Nc2cc3n(n2)CCCO3)C1 ZINC001175577071 977590483 /nfs/dbraw/zinc/59/04/83/977590483.db2.gz PQTPGLJZPFGEMB-UHFFFAOYSA-N 1 2 234.303 1.297 20 0 BDADLO C[N@@H+]1CCC=C(Nc2nonc2C2CC2)C1 ZINC001175577431 977592020 /nfs/dbraw/zinc/59/20/20/977592020.db2.gz TYNFODQJZHQKBJ-UHFFFAOYSA-N 1 2 220.276 1.578 20 0 BDADLO C[C@H]1C[N@H+](Cc2c[nH]c3cccnc23)CCC1=O ZINC001231485122 977603734 /nfs/dbraw/zinc/60/37/34/977603734.db2.gz DABDVLXSWZIIDN-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c[nH]c3cccnc23)CCC1=O ZINC001231485122 977603738 /nfs/dbraw/zinc/60/37/38/977603738.db2.gz DABDVLXSWZIIDN-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO CCOC1C[NH+](Cc2c[nH]c3cccnc23)C1 ZINC001231486039 977607157 /nfs/dbraw/zinc/60/71/57/977607157.db2.gz LRXRFOPOSHVVOV-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CC(=O)N(C)C1C[NH+](CCOCCC(C)C)C1 ZINC001277538265 977638327 /nfs/dbraw/zinc/63/83/27/977638327.db2.gz QMTXKSLCBDFMIZ-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@H](F)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001336416020 977668131 /nfs/dbraw/zinc/66/81/31/977668131.db2.gz HLNFWJZFIULZGF-UWVGGRQHSA-N 1 2 239.294 1.484 20 0 BDADLO CCOC[C@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC001336527214 977746249 /nfs/dbraw/zinc/74/62/49/977746249.db2.gz DLBKPHKVTQCLIL-JTQLQIEISA-N 1 2 236.319 1.312 20 0 BDADLO CCCOc1ncccc1C[NH+]1CC2(COC2)C1 ZINC001231859997 977768957 /nfs/dbraw/zinc/76/89/57/977768957.db2.gz MPBRIDSJABTGMK-UHFFFAOYSA-N 1 2 248.326 1.703 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001231966927 977813245 /nfs/dbraw/zinc/81/32/45/977813245.db2.gz OAMZTXQIHGNSJB-SKDRFNHKSA-N 1 2 224.279 1.880 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001231966927 977813249 /nfs/dbraw/zinc/81/32/49/977813249.db2.gz OAMZTXQIHGNSJB-SKDRFNHKSA-N 1 2 224.279 1.880 20 0 BDADLO Cc1cc(F)ncc1C[NH+]1CC2(CC(O)C2)C1 ZINC001231979023 977822200 /nfs/dbraw/zinc/82/22/00/977822200.db2.gz HSUOBOQXMIVYMG-UHFFFAOYSA-N 1 2 236.290 1.486 20 0 BDADLO CNc1ccc(Nc2ccnc(COC)n2)c[nH+]1 ZINC001336684445 977853751 /nfs/dbraw/zinc/85/37/51/977853751.db2.gz JBSXMZAJARDBIT-UHFFFAOYSA-N 1 2 245.286 1.803 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cncc(O)c1 ZINC001232039399 977864289 /nfs/dbraw/zinc/86/42/89/977864289.db2.gz QSBQCZJKJZDUJM-SCZZXKLOSA-N 1 2 210.252 1.720 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cncc(O)c1 ZINC001232039399 977864293 /nfs/dbraw/zinc/86/42/93/977864293.db2.gz QSBQCZJKJZDUJM-SCZZXKLOSA-N 1 2 210.252 1.720 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc2ccncc2[nH]1 ZINC001232091847 977888279 /nfs/dbraw/zinc/88/82/79/977888279.db2.gz ZQDYTDHPYQGHAI-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc2ccncc2[nH]1 ZINC001232091847 977888285 /nfs/dbraw/zinc/88/82/85/977888285.db2.gz ZQDYTDHPYQGHAI-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc2ccncc2[nH]1 ZINC001232089892 977890563 /nfs/dbraw/zinc/89/05/63/977890563.db2.gz GETRKOXRABGJKA-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc2ccncc2[nH]1 ZINC001232089892 977890568 /nfs/dbraw/zinc/89/05/68/977890568.db2.gz GETRKOXRABGJKA-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cnsc2)CC[C@@H]1F ZINC001232224537 977947825 /nfs/dbraw/zinc/94/78/25/977947825.db2.gz LWHQXZVGIJDIOG-DTWKUNHWSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cnsc2)CC[C@@H]1F ZINC001232224537 977947831 /nfs/dbraw/zinc/94/78/31/977947831.db2.gz LWHQXZVGIJDIOG-DTWKUNHWSA-N 1 2 216.281 1.048 20 0 BDADLO CC[C@@H](F)C(=O)NCCCn1cc[nH+]c1 ZINC001336749570 977912940 /nfs/dbraw/zinc/91/29/40/977912940.db2.gz ZOKYYDZUYLUCIR-SECBINFHSA-N 1 2 213.256 1.138 20 0 BDADLO CC[N@H+](CCOC)Cc1ncsc1C ZINC001232204615 977933489 /nfs/dbraw/zinc/93/34/89/977933489.db2.gz SQVWOQGXQDNWRY-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncsc1C ZINC001232204615 977933498 /nfs/dbraw/zinc/93/34/98/977933498.db2.gz SQVWOQGXQDNWRY-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(C)nc1 ZINC001176116873 977944437 /nfs/dbraw/zinc/94/44/37/977944437.db2.gz OCIHGGUGCNGLCV-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO COc1cc[nH+]cc1Nc1nccn2cnnc12 ZINC001176117070 977945339 /nfs/dbraw/zinc/94/53/39/977945339.db2.gz QASJGCACEWDSMT-UHFFFAOYSA-N 1 2 242.242 1.272 20 0 BDADLO c1nscc1CN1CCn2c[nH+]cc2C1 ZINC001232230237 977965797 /nfs/dbraw/zinc/96/57/97/977965797.db2.gz GWBHBWBCAUFVMT-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)s1 ZINC001232242906 977971694 /nfs/dbraw/zinc/97/16/94/977971694.db2.gz NNOBESLIIKNPTD-BDAKNGLRSA-N 1 2 245.323 1.141 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)s1 ZINC001232242906 977971704 /nfs/dbraw/zinc/97/17/04/977971704.db2.gz NNOBESLIIKNPTD-BDAKNGLRSA-N 1 2 245.323 1.141 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)s1 ZINC001232247388 977977160 /nfs/dbraw/zinc/97/71/60/977977160.db2.gz ZIQBXOOCCVRRSC-PSVAKVPMSA-N 1 2 227.308 1.494 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)s1 ZINC001232247388 977977171 /nfs/dbraw/zinc/97/71/71/977977171.db2.gz ZIQBXOOCCVRRSC-PSVAKVPMSA-N 1 2 227.308 1.494 20 0 BDADLO CC[N@H+](Cc1cccc(COC)n1)C1COC1 ZINC001232254757 977982269 /nfs/dbraw/zinc/98/22/69/977982269.db2.gz HLBCTPZPZWKNFQ-UHFFFAOYSA-N 1 2 236.315 1.449 20 0 BDADLO CC[N@@H+](Cc1cccc(COC)n1)C1COC1 ZINC001232254757 977982275 /nfs/dbraw/zinc/98/22/75/977982275.db2.gz HLBCTPZPZWKNFQ-UHFFFAOYSA-N 1 2 236.315 1.449 20 0 BDADLO COCc1ccc(C[NH+]2CCC(=O)CC2)cc1 ZINC001232298817 977995239 /nfs/dbraw/zinc/99/52/39/977995239.db2.gz UCNFKCWDRVFRCP-UHFFFAOYSA-N 1 2 233.311 1.998 20 0 BDADLO COc1ccc(C[N@H+](C2CC2)C2COC2)c(C)n1 ZINC001232335687 978009616 /nfs/dbraw/zinc/00/96/16/978009616.db2.gz BLYMCWJIXYHOET-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO COc1ccc(C[N@@H+](C2CC2)C2COC2)c(C)n1 ZINC001232335687 978009626 /nfs/dbraw/zinc/00/96/26/978009626.db2.gz BLYMCWJIXYHOET-UHFFFAOYSA-N 1 2 248.326 1.762 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CC(F)(C2CC2)C1 ZINC001232340414 978019927 /nfs/dbraw/zinc/01/99/27/978019927.db2.gz QSONWQJPZGXBDY-UHFFFAOYSA-N 1 2 235.306 1.906 20 0 BDADLO Cc1nc(CN(C)Cc2ccc(N)[nH+]c2C)no1 ZINC001232340352 978020529 /nfs/dbraw/zinc/02/05/29/978020529.db2.gz PFPGQBWYGXKWTB-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC001232348368 978027491 /nfs/dbraw/zinc/02/74/91/978027491.db2.gz GKWNDVRBZXUHOU-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC001232348368 978027501 /nfs/dbraw/zinc/02/75/01/978027501.db2.gz GKWNDVRBZXUHOU-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO Cc1nc(C[N@@H+]2CCc3cnccc3C2)c[nH]1 ZINC001232458407 978085389 /nfs/dbraw/zinc/08/53/89/978085389.db2.gz IFJMTLRIHOXEBV-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1nc(C[N@H+]2CCc3cnccc3C2)c[nH]1 ZINC001232458407 978085398 /nfs/dbraw/zinc/08/53/98/978085398.db2.gz IFJMTLRIHOXEBV-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1[nH]c(CN2Cc3cncnc3C2)c[nH+]1 ZINC001232458720 978087459 /nfs/dbraw/zinc/08/74/59/978087459.db2.gz SCPHYAZCLNUTFP-UHFFFAOYSA-N 1 2 215.260 1.024 20 0 BDADLO Cc1[nH]cc(CN2Cc3cncnc3C2)[nH+]1 ZINC001232458720 978087470 /nfs/dbraw/zinc/08/74/70/978087470.db2.gz SCPHYAZCLNUTFP-UHFFFAOYSA-N 1 2 215.260 1.024 20 0 BDADLO Cc1[nH]c(CN2CC[C@](C)(F)[C@H](F)C2)c[nH+]1 ZINC001232459990 978087976 /nfs/dbraw/zinc/08/79/76/978087976.db2.gz LETQTRLCTNSRQV-MNOVXSKESA-N 1 2 229.274 1.990 20 0 BDADLO Cc1[nH]cc(CN2CC[C@](C)(F)[C@H](F)C2)[nH+]1 ZINC001232459990 978087988 /nfs/dbraw/zinc/08/79/88/978087988.db2.gz LETQTRLCTNSRQV-MNOVXSKESA-N 1 2 229.274 1.990 20 0 BDADLO CCCCOC1CN(Cc2c[nH+]c(C)[nH]2)C1 ZINC001232462934 978096039 /nfs/dbraw/zinc/09/60/39/978096039.db2.gz XNFGXKFULCWDPD-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO CCCCOC1CN(Cc2c[nH]c(C)[nH+]2)C1 ZINC001232462934 978096045 /nfs/dbraw/zinc/09/60/45/978096045.db2.gz XNFGXKFULCWDPD-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1[nH]c(CN2Cc3ncsc3C2)c[nH+]1 ZINC001232465308 978106230 /nfs/dbraw/zinc/10/62/30/978106230.db2.gz IIUGSERTNXNSHL-UHFFFAOYSA-N 1 2 220.301 1.690 20 0 BDADLO Cc1[nH]cc(CN2Cc3ncsc3C2)[nH+]1 ZINC001232465308 978106241 /nfs/dbraw/zinc/10/62/41/978106241.db2.gz IIUGSERTNXNSHL-UHFFFAOYSA-N 1 2 220.301 1.690 20 0 BDADLO C/C(=C/C(=O)NCCn1cc[nH+]c1)c1ccco1 ZINC001595684500 978128847 /nfs/dbraw/zinc/12/88/47/978128847.db2.gz KUSOSXHIYFPBSK-LUAWRHEFSA-N 1 2 245.282 1.696 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2CC(C)C)[nH]n1 ZINC001337033108 978136710 /nfs/dbraw/zinc/13/67/10/978136710.db2.gz OMENUHSBAWAWAC-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CC(C)C)[nH]n1 ZINC001337033108 978136714 /nfs/dbraw/zinc/13/67/14/978136714.db2.gz OMENUHSBAWAWAC-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH+]c(Nc2cnc3nonc3c2)c(N)c1 ZINC001176688722 978153145 /nfs/dbraw/zinc/15/31/45/978153145.db2.gz JZWPXXSMEHDWIG-UHFFFAOYSA-N 1 2 242.242 1.647 20 0 BDADLO Nc1cnn(-c2ccc[nH+]c2N2CCCC2)c1 ZINC001176742914 978170943 /nfs/dbraw/zinc/17/09/43/978170943.db2.gz CEMIHKAPINJIDT-UHFFFAOYSA-N 1 2 229.287 1.450 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2nnnn2C)c1 ZINC001176793851 978177026 /nfs/dbraw/zinc/17/70/26/978177026.db2.gz WOCUDBZGIGLYMX-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2nnnn2C)c1 ZINC001176793850 978179194 /nfs/dbraw/zinc/17/91/94/978179194.db2.gz WOCUDBZGIGLYMX-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(Cl)nn1 ZINC001176826744 978192167 /nfs/dbraw/zinc/19/21/67/978192167.db2.gz YDQNIPVEQXFLJV-UHFFFAOYSA-N 1 2 237.650 1.034 20 0 BDADLO C=Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001176837069 978202736 /nfs/dbraw/zinc/20/27/36/978202736.db2.gz ZGMQPFVBSKDOJX-UHFFFAOYSA-N 1 2 241.294 1.912 20 0 BDADLO Cc1cc(NC(=O)CCn2cc[nH+]c2)cc(=O)o1 ZINC001176873317 978220984 /nfs/dbraw/zinc/22/09/84/978220984.db2.gz GYOFAGHQCXABHW-UHFFFAOYSA-N 1 2 247.254 1.174 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@H]2[C@@H](C)O)[nH+]1 ZINC001337220012 978221360 /nfs/dbraw/zinc/22/13/60/978221360.db2.gz DSQMFJHWNPZDKX-MWLCHTKSSA-N 1 2 224.279 1.879 20 0 BDADLO Cc1cc(C)c(NC(=O)CCn2cc[nH+]c2)cn1 ZINC001176873369 978222699 /nfs/dbraw/zinc/22/26/99/978222699.db2.gz JTKJBIYDEBBNHH-UHFFFAOYSA-N 1 2 244.298 1.924 20 0 BDADLO CC[N@H+](Cc1cc(O)cc(OC)c1)C1COC1 ZINC001232804822 978300847 /nfs/dbraw/zinc/30/08/47/978300847.db2.gz KNCBOMVRPPLUBD-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CC[N@@H+](Cc1cc(O)cc(OC)c1)C1COC1 ZINC001232804822 978300854 /nfs/dbraw/zinc/30/08/54/978300854.db2.gz KNCBOMVRPPLUBD-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO CCc1coc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001337362845 978304870 /nfs/dbraw/zinc/30/48/70/978304870.db2.gz HLXNWANNMXNMSA-UHFFFAOYSA-N 1 2 234.259 1.531 20 0 BDADLO CCc1coc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001337362845 978304882 /nfs/dbraw/zinc/30/48/82/978304882.db2.gz HLXNWANNMXNMSA-UHFFFAOYSA-N 1 2 234.259 1.531 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001232921827 978336897 /nfs/dbraw/zinc/33/68/97/978336897.db2.gz OIIRUEJWCIOQRK-GXSJLCMTSA-N 1 2 249.314 1.571 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001232921827 978336906 /nfs/dbraw/zinc/33/69/06/978336906.db2.gz OIIRUEJWCIOQRK-GXSJLCMTSA-N 1 2 249.314 1.571 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232931703 978338397 /nfs/dbraw/zinc/33/83/97/978338397.db2.gz RYXYPFUXUXNYKJ-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232931703 978338412 /nfs/dbraw/zinc/33/84/12/978338412.db2.gz RYXYPFUXUXNYKJ-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO Oc1cc(C[N@H+]2CCC[C@H](O)C2)cc(F)c1F ZINC001232968296 978371965 /nfs/dbraw/zinc/37/19/65/978371965.db2.gz GTDUAKYAOUAOFR-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Oc1cc(C[N@@H+]2CCC[C@H](O)C2)cc(F)c1F ZINC001232968296 978371977 /nfs/dbraw/zinc/37/19/77/978371977.db2.gz GTDUAKYAOUAOFR-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC001337509727 978379560 /nfs/dbraw/zinc/37/95/60/978379560.db2.gz MLWKPGZGEPHLRX-BXUZGUMPSA-N 1 2 246.310 1.485 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cn1 ZINC001233006786 978399757 /nfs/dbraw/zinc/39/97/57/978399757.db2.gz IFSFEBISUGPSDQ-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)cn1 ZINC001233006786 978399767 /nfs/dbraw/zinc/39/97/67/978399767.db2.gz IFSFEBISUGPSDQ-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@]12CCOC2 ZINC001337586733 978421663 /nfs/dbraw/zinc/42/16/63/978421663.db2.gz VGLDPECNDXWJFK-LLVKDONJSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@]12CCOC2 ZINC001337586733 978421666 /nfs/dbraw/zinc/42/16/66/978421666.db2.gz VGLDPECNDXWJFK-LLVKDONJSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@]12CCOC2 ZINC001337586733 978421668 /nfs/dbraw/zinc/42/16/68/978421668.db2.gz VGLDPECNDXWJFK-LLVKDONJSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@]12CCOC2 ZINC001337586733 978421671 /nfs/dbraw/zinc/42/16/71/978421671.db2.gz VGLDPECNDXWJFK-LLVKDONJSA-N 1 2 207.277 1.083 20 0 BDADLO CN(C)c1ccc(C[NH+]2CCC2)c(F)n1 ZINC001233113175 978470106 /nfs/dbraw/zinc/47/01/06/978470106.db2.gz NBGQMWJVFKTGDU-UHFFFAOYSA-N 1 2 209.268 1.492 20 0 BDADLO CC[N@H+](Cc1[nH]nc2cc(F)ccc21)C1COC1 ZINC001233123627 978471895 /nfs/dbraw/zinc/47/18/95/978471895.db2.gz ZUMFKSCJUIWRNL-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO CC[N@@H+](Cc1[nH]nc2cc(F)ccc21)C1COC1 ZINC001233123627 978471900 /nfs/dbraw/zinc/47/19/00/978471900.db2.gz ZUMFKSCJUIWRNL-UHFFFAOYSA-N 1 2 249.289 1.923 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnc(C)c(C)c2)C[C@@H]1F ZINC001233156310 978478088 /nfs/dbraw/zinc/47/80/88/978478088.db2.gz KEGOBDWXOHJFGW-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnc(C)c(C)c2)C[C@@H]1F ZINC001233156310 978478091 /nfs/dbraw/zinc/47/80/91/978478091.db2.gz KEGOBDWXOHJFGW-QWHCGFSZSA-N 1 2 238.306 1.867 20 0 BDADLO C[C@H](C(=O)N[C@H]1CC=CCC1)n1cc[nH+]c1 ZINC001177930087 978479743 /nfs/dbraw/zinc/47/97/43/978479743.db2.gz ZRSUHIKQJZQKPB-MNOVXSKESA-N 1 2 219.288 1.669 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCOc1ccccc1 ZINC001177997991 978481957 /nfs/dbraw/zinc/48/19/57/978481957.db2.gz JIQCYFPVTPEJPB-UHFFFAOYSA-N 1 2 245.282 1.495 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccno1 ZINC001178000358 978488219 /nfs/dbraw/zinc/48/82/19/978488219.db2.gz KLCKIQTXHVCJET-QMMMGPOBSA-N 1 2 234.259 1.208 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@@H+]2CCn3nccc3C2)c1 ZINC001233197666 978494583 /nfs/dbraw/zinc/49/45/83/978494583.db2.gz HFSCDCAEXBWKMG-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@H+]2CCn3nccc3C2)c1 ZINC001233197666 978494599 /nfs/dbraw/zinc/49/45/99/978494599.db2.gz HFSCDCAEXBWKMG-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cc1cc(O)cnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177994620 978495453 /nfs/dbraw/zinc/49/54/53/978495453.db2.gz YMTDSOQGOOFVIZ-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO CN(C[C@H]1CCCC[C@H]1O)c1cc(N)nc[nH+]1 ZINC001337818466 978512866 /nfs/dbraw/zinc/51/28/66/978512866.db2.gz BVVZSRVGRZOIRX-NXEZZACHSA-N 1 2 236.319 1.046 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)sn1 ZINC001233310194 978534937 /nfs/dbraw/zinc/53/49/37/978534937.db2.gz VNYYHCGXZXZEIX-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)sn1 ZINC001233310194 978534943 /nfs/dbraw/zinc/53/49/43/978534943.db2.gz VNYYHCGXZXZEIX-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cc(CN2CCc3[nH+]ccn3CC2)sn1 ZINC001233312903 978539560 /nfs/dbraw/zinc/53/95/60/978539560.db2.gz SJYAPXJNFBWKJW-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO COC(=O)CC1C[NH+](Cc2cc(C)ns2)C1 ZINC001233312361 978541855 /nfs/dbraw/zinc/54/18/55/978541855.db2.gz NUAUXKPKPZZDRU-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO CC1(O)C[NH+](Cc2cc3cccnc3s2)C1 ZINC001233345275 978567203 /nfs/dbraw/zinc/56/72/03/978567203.db2.gz NALXZXMBKRWQHS-UHFFFAOYSA-N 1 2 234.324 1.863 20 0 BDADLO CCc1ccc(N2CCc3nccnc3C2)[nH+]c1 ZINC001337929711 978568896 /nfs/dbraw/zinc/56/88/96/978568896.db2.gz SJJKVXQQXITXQQ-UHFFFAOYSA-N 1 2 240.310 1.997 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)o1 ZINC001233364781 978572299 /nfs/dbraw/zinc/57/22/99/978572299.db2.gz CBTXOZCGUXGZNJ-NXEZZACHSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)o1 ZINC001233364781 978572303 /nfs/dbraw/zinc/57/23/03/978572303.db2.gz CBTXOZCGUXGZNJ-NXEZZACHSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3cccnc3C2)o1 ZINC001233367431 978573732 /nfs/dbraw/zinc/57/37/32/978573732.db2.gz HRQGACHTIGVNOM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3cccnc3C2)o1 ZINC001233367431 978573735 /nfs/dbraw/zinc/57/37/35/978573735.db2.gz HRQGACHTIGVNOM-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CN(Cc1ccno1)Cc1cccc2[nH+]ccn21 ZINC001233364056 978575046 /nfs/dbraw/zinc/57/50/46/978575046.db2.gz NZRNTPVPGYEEPW-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cccc2nccn21 ZINC001233364056 978575051 /nfs/dbraw/zinc/57/50/51/978575051.db2.gz NZRNTPVPGYEEPW-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cccc2nccn21 ZINC001233364056 978575057 /nfs/dbraw/zinc/57/50/57/978575057.db2.gz NZRNTPVPGYEEPW-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO CCCOC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC001233363023 978576240 /nfs/dbraw/zinc/57/62/40/978576240.db2.gz AVNSPBOCVSEZOO-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3ccncc3C2)o1 ZINC001233366982 978579228 /nfs/dbraw/zinc/57/92/28/978579228.db2.gz ATOMRTLFMIZCJZ-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3ccncc3C2)o1 ZINC001233366982 978579232 /nfs/dbraw/zinc/57/92/32/978579232.db2.gz ATOMRTLFMIZCJZ-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C(C)C)o1 ZINC001233367343 978579493 /nfs/dbraw/zinc/57/94/93/978579493.db2.gz AVTYOGFJOZSBCH-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C(C)C)o1 ZINC001233367343 978579499 /nfs/dbraw/zinc/57/94/99/978579499.db2.gz AVTYOGFJOZSBCH-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Nc1cccc(C[N@@H+]2CCc3ccncc3C2)n1 ZINC001233372133 978586551 /nfs/dbraw/zinc/58/65/51/978586551.db2.gz ZPJIXXAUFKZFCM-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1cccc(C[N@H+]2CCc3ccncc3C2)n1 ZINC001233372133 978586554 /nfs/dbraw/zinc/58/65/54/978586554.db2.gz ZPJIXXAUFKZFCM-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1cccc(CN2CCc3ccncc3C2)[nH+]1 ZINC001233372133 978586559 /nfs/dbraw/zinc/58/65/59/978586559.db2.gz ZPJIXXAUFKZFCM-UHFFFAOYSA-N 1 2 240.310 1.617 20 0 BDADLO Nc1cccc(CN2C[C@H]3CC[C@@H]2CO3)[nH+]1 ZINC001233373715 978588625 /nfs/dbraw/zinc/58/86/25/978588625.db2.gz YJOCGZMVTPUWDD-GHMZBOCLSA-N 1 2 219.288 1.027 20 0 BDADLO Nc1cc(F)c(F)cc1C[N@@H+]1CCCOCC1 ZINC001233378057 978589512 /nfs/dbraw/zinc/58/95/12/978589512.db2.gz DHSYMIQLFFTBJA-UHFFFAOYSA-N 1 2 242.269 1.769 20 0 BDADLO Nc1cc(F)c(F)cc1C[N@H+]1CCCOCC1 ZINC001233378057 978589516 /nfs/dbraw/zinc/58/95/16/978589516.db2.gz DHSYMIQLFFTBJA-UHFFFAOYSA-N 1 2 242.269 1.769 20 0 BDADLO Cc1cc(F)cc(N(C)[C@H]2C[C@@H](C(N)=O)C2)[nH+]1 ZINC001338054783 978600706 /nfs/dbraw/zinc/60/07/06/978600706.db2.gz LKBUJXOFRJMEKC-WAAGHKOSSA-N 1 2 237.278 1.229 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2C[C@H]2F)cc(C)[nH+]1 ZINC001338198179 978634019 /nfs/dbraw/zinc/63/40/19/978634019.db2.gz GXFWAQYHUILIBT-WDEREUQCSA-N 1 2 222.263 1.673 20 0 BDADLO CC[N@@H+]1CC[C@@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585205 978634935 /nfs/dbraw/zinc/63/49/35/978634935.db2.gz ATWKMYAETVZHNZ-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO CC[N@H+]1CC[C@@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585205 978634949 /nfs/dbraw/zinc/63/49/49/978634949.db2.gz ATWKMYAETVZHNZ-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO CC[C@H](OC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001338241981 978640026 /nfs/dbraw/zinc/64/00/26/978640026.db2.gz JQMZUQLFOJZKQU-JTQLQIEISA-N 1 2 222.288 1.484 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@]1(C)CCCO1 ZINC001338240847 978640606 /nfs/dbraw/zinc/64/06/06/978640606.db2.gz DKRPTQINUYZSNM-CYBMUJFWSA-N 1 2 234.299 1.628 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001338242699 978641783 /nfs/dbraw/zinc/64/17/83/978641783.db2.gz OAOFBHOOEUGPHM-UTUOFQBUSA-N 1 2 246.310 1.626 20 0 BDADLO CC[C@H](F)C(=O)Nc1cc(C)[nH+]cc1C ZINC001338281711 978652873 /nfs/dbraw/zinc/65/28/73/978652873.db2.gz XSHGNKDKAWPKOR-VIFPVBQESA-N 1 2 210.252 1.807 20 0 BDADLO COc1ccc(CNc2cc(CO)cc[nH+]2)cn1 ZINC001178991486 978657764 /nfs/dbraw/zinc/65/77/64/978657764.db2.gz CXQOANUAVHFWCF-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C=C1CCC1 ZINC001233644002 978659140 /nfs/dbraw/zinc/65/91/40/978659140.db2.gz LBGFFRCOOOVOCU-LBPRGKRZSA-N 1 2 240.322 1.599 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C=C1CCC1 ZINC001233644002 978659145 /nfs/dbraw/zinc/65/91/45/978659145.db2.gz LBGFFRCOOOVOCU-LBPRGKRZSA-N 1 2 240.322 1.599 20 0 BDADLO Cc1ccc(O)c(CNc2cc(CO)cc[nH+]2)n1 ZINC001178991489 978659708 /nfs/dbraw/zinc/65/97/08/978659708.db2.gz DBIHPNYCPVBIGR-UHFFFAOYSA-N 1 2 245.282 1.595 20 0 BDADLO c1c[nH]c(CNc2cc3cc[nH]c3c[nH+]2)n1 ZINC001179044746 978660627 /nfs/dbraw/zinc/66/06/27/978660627.db2.gz PEHBQAWYRUDVJP-UHFFFAOYSA-N 1 2 213.244 1.898 20 0 BDADLO Cc1ncncc1NC(=O)CCCn1cc[nH+]c1 ZINC001338380906 978669378 /nfs/dbraw/zinc/66/93/78/978669378.db2.gz AZARHSZZMZULIG-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO Cc1ncncc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001338383506 978670438 /nfs/dbraw/zinc/67/04/38/978670438.db2.gz NTGVBBGIWRNTCY-VIFPVBQESA-N 1 2 245.286 1.571 20 0 BDADLO CCn1c[nH+]cc1CNc1conc1C ZINC001179478879 978709671 /nfs/dbraw/zinc/70/96/71/978709671.db2.gz HXDRLCYAGTYUOQ-UHFFFAOYSA-N 1 2 206.249 1.812 20 0 BDADLO COc1ncc(C[N@H+](C)Cc2cccnc2)cn1 ZINC001206382169 978712096 /nfs/dbraw/zinc/71/20/96/978712096.db2.gz TUQKKWMNUFQZIT-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ncc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC001206382169 978712100 /nfs/dbraw/zinc/71/21/00/978712100.db2.gz TUQKKWMNUFQZIT-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1[nH]c(C[NH2+][C@](C)(C(=O)[O-])C2CC2)c(C)[nH+]1 ZINC001600691636 978718506 /nfs/dbraw/zinc/71/85/06/978718506.db2.gz PMKZMMYHPCJDPR-LBPRGKRZSA-N 1 2 237.303 1.369 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cccc(O)c2F)C1 ZINC001233870636 978721180 /nfs/dbraw/zinc/72/11/80/978721180.db2.gz GMUALMJOCHDFFV-SECBINFHSA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cccc(O)c2F)C1 ZINC001233870636 978721184 /nfs/dbraw/zinc/72/11/84/978721184.db2.gz GMUALMJOCHDFFV-SECBINFHSA-N 1 2 241.262 1.241 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC(C)(C)C1(C)C ZINC001338765905 978731309 /nfs/dbraw/zinc/73/13/09/978731309.db2.gz COMNHPDVXBLPIQ-QMMMGPOBSA-N 1 2 223.324 1.392 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC(C)(C)C1(C)C ZINC001338765905 978731319 /nfs/dbraw/zinc/73/13/19/978731319.db2.gz COMNHPDVXBLPIQ-QMMMGPOBSA-N 1 2 223.324 1.392 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1c[nH]c(=O)c2ccccc12 ZINC001233964743 978741796 /nfs/dbraw/zinc/74/17/96/978741796.db2.gz SMEOWRXTTALYST-UHFFFAOYSA-N 1 2 244.294 1.961 20 0 BDADLO CC(=O)C[N@H+](C)Cc1c[nH]c(=O)c2ccccc12 ZINC001233964743 978741801 /nfs/dbraw/zinc/74/18/01/978741801.db2.gz SMEOWRXTTALYST-UHFFFAOYSA-N 1 2 244.294 1.961 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2F)c[nH+]1 ZINC001339060118 978783704 /nfs/dbraw/zinc/78/37/04/978783704.db2.gz OYFOCJWNLWHJBP-GHMZBOCLSA-N 1 2 222.263 1.673 20 0 BDADLO [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178227 978787472 /nfs/dbraw/zinc/78/74/72/978787472.db2.gz KTVGDQOLWUYNGE-MFKMUULPSA-N 1 2 249.314 1.026 20 0 BDADLO [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178227 978787478 /nfs/dbraw/zinc/78/74/78/978787478.db2.gz KTVGDQOLWUYNGE-MFKMUULPSA-N 1 2 249.314 1.026 20 0 BDADLO CCc1coc(NC(=O)CCn2cc[nH+]c2)n1 ZINC001339100839 978791812 /nfs/dbraw/zinc/79/18/12/978791812.db2.gz PPKHJPHLAPWVJL-UHFFFAOYSA-N 1 2 234.259 1.462 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001339104186 978794530 /nfs/dbraw/zinc/79/45/30/978794530.db2.gz YXOHHDHVDGMPJZ-VIFPVBQESA-N 1 2 236.315 1.731 20 0 BDADLO COC(=O)c1cccc(OC2C[NH+](C)C2)c1C ZINC001234402810 978828588 /nfs/dbraw/zinc/82/85/88/978828588.db2.gz ZHTLWTSZAJIQAO-UHFFFAOYSA-N 1 2 235.283 1.474 20 0 BDADLO O=C([O-])[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001601794503 978851278 /nfs/dbraw/zinc/85/12/78/978851278.db2.gz WOLTYQKXGYEIFN-OUAUKWLOSA-N 1 2 249.314 1.041 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc3[nH]ccc3cn2)C1 ZINC001234527155 978855670 /nfs/dbraw/zinc/85/56/70/978855670.db2.gz WQKWRYZYRSMRQB-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc3[nH]ccc3cn2)C1 ZINC001234527155 978855671 /nfs/dbraw/zinc/85/56/71/978855671.db2.gz WQKWRYZYRSMRQB-LLVKDONJSA-N 1 2 247.298 1.272 20 0 BDADLO CCCCN(CC(N)=O)c1ccc(CC)c[nH+]1 ZINC001339630846 978882696 /nfs/dbraw/zinc/88/26/96/978882696.db2.gz WWXHYIFGOUVZHF-UHFFFAOYSA-N 1 2 235.331 1.736 20 0 BDADLO C[C@@]1(C(=O)Nc2cc[nH+]c3c2CCC3)CCCO1 ZINC001180470240 978893463 /nfs/dbraw/zinc/89/34/63/978893463.db2.gz PYADNUSOIREIPS-AWEZNQCLSA-N 1 2 246.310 1.500 20 0 BDADLO CC(C)[NH+]1CC(Oc2cc(C(F)(F)F)[nH]n2)C1 ZINC001234854049 978919622 /nfs/dbraw/zinc/91/96/22/978919622.db2.gz JTJHMHLPUSNVFZ-UHFFFAOYSA-N 1 2 249.236 1.900 20 0 BDADLO CCOc1ccccc1[C@@H]([NH3+])CC(=O)NOC ZINC001340012005 978957395 /nfs/dbraw/zinc/95/73/95/978957395.db2.gz MHBYDALVDCRMCJ-JTQLQIEISA-N 1 2 238.287 1.153 20 0 BDADLO O=C(C[C@H]1CCOC1)Nc1cc[nH+]c2c1CCC2 ZINC001180918661 978964478 /nfs/dbraw/zinc/96/44/78/978964478.db2.gz IEQWOBYGPUNOCO-SNVBAGLBSA-N 1 2 246.310 1.357 20 0 BDADLO COCC[N@H+](C)Cc1cc(OC)ncc1F ZINC001235319046 979023456 /nfs/dbraw/zinc/02/34/56/979023456.db2.gz HHCRXWCZWPIPDJ-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO COCC[N@@H+](C)Cc1cc(OC)ncc1F ZINC001235319046 979023459 /nfs/dbraw/zinc/02/34/59/979023459.db2.gz HHCRXWCZWPIPDJ-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO Nc1cc(CC(=O)Nc2ccccc2O)cc[nH+]1 ZINC001181263841 979029800 /nfs/dbraw/zinc/02/98/00/979029800.db2.gz RJDIJYOOGXQPLF-UHFFFAOYSA-N 1 2 243.266 1.551 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cc(C)cnc1F ZINC001235342170 979030960 /nfs/dbraw/zinc/03/09/60/979030960.db2.gz JLFRKHRBTGFQGT-NSHDSACASA-N 1 2 224.279 1.750 20 0 BDADLO C[C@H]1C[C@@H](CO)[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235418432 979042218 /nfs/dbraw/zinc/04/22/18/979042218.db2.gz RPGHKYFDOOLOQQ-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235418432 979042226 /nfs/dbraw/zinc/04/22/26/979042226.db2.gz RPGHKYFDOOLOQQ-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235417370 979042708 /nfs/dbraw/zinc/04/27/08/979042708.db2.gz MMBGAQOJBKQQMK-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235417370 979042713 /nfs/dbraw/zinc/04/27/13/979042713.db2.gz MMBGAQOJBKQQMK-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO Cc1ncn(C)c1C[N@H+](C)Cc1cccnc1 ZINC001235540814 979083540 /nfs/dbraw/zinc/08/35/40/979083540.db2.gz PIPIBNWOLDYPHP-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ncn(C)c1C[N@@H+](C)Cc1cccnc1 ZINC001235540814 979083553 /nfs/dbraw/zinc/08/35/53/979083553.db2.gz PIPIBNWOLDYPHP-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1[nH+]cn(C)c1CN(C)Cc1ncccn1 ZINC001235540791 979083672 /nfs/dbraw/zinc/08/36/72/979083672.db2.gz OPTPAOHHPRGLJK-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO O=C([O-])c1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC001602438789 979114200 /nfs/dbraw/zinc/11/42/00/979114200.db2.gz NPYBGZBNHZDGRR-UHFFFAOYSA-N 1 2 246.310 1.226 20 0 BDADLO CC(C)[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001181512501 979126985 /nfs/dbraw/zinc/12/69/85/979126985.db2.gz PUZAMBIWHFGNSA-JTQLQIEISA-N 1 2 223.320 1.371 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)C[C@@H]([NH3+])C(F)F ZINC001341138270 979249412 /nfs/dbraw/zinc/24/94/12/979249412.db2.gz DMGBEAKEMCZWRX-FCJGRKLLSA-N 1 2 240.681 1.616 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)C[C@@H]([NH3+])C(F)F ZINC001341138277 979249578 /nfs/dbraw/zinc/24/95/78/979249578.db2.gz DMGBEAKEMCZWRX-KGJQDRRLSA-N 1 2 240.681 1.616 20 0 BDADLO [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989177 979271984 /nfs/dbraw/zinc/27/19/84/979271984.db2.gz IGFXDGSVQKSZCZ-BXUZGUMPSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989177 979271997 /nfs/dbraw/zinc/27/19/97/979271997.db2.gz IGFXDGSVQKSZCZ-BXUZGUMPSA-N 1 2 246.310 1.308 20 0 BDADLO Cc1cc(Nc2ccc(C)[nH+]c2C)n(CCO)n1 ZINC001203368281 979325047 /nfs/dbraw/zinc/32/50/47/979325047.db2.gz WPHGEYXRWXKZOX-UHFFFAOYSA-N 1 2 246.314 1.939 20 0 BDADLO [NH3+][C@H](CC(=O)NCCCc1ccco1)C(F)F ZINC001341403064 979376082 /nfs/dbraw/zinc/37/60/82/979376082.db2.gz SSIRDCSQGXBLAI-SECBINFHSA-N 1 2 246.257 1.311 20 0 BDADLO CCc1noc(C)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC001181944117 979377518 /nfs/dbraw/zinc/37/75/18/979377518.db2.gz BEVXUKNEKOPWSW-GFCCVEGCSA-N 1 2 246.314 1.977 20 0 BDADLO CCOc1ccc(F)c(C[N@H+](C)CCO)c1F ZINC001236256615 979475735 /nfs/dbraw/zinc/47/57/35/979475735.db2.gz PVZAAKIQVFVBAA-UHFFFAOYSA-N 1 2 245.269 1.788 20 0 BDADLO CCOc1ccc(F)c(C[N@@H+](C)CCO)c1F ZINC001236256615 979475747 /nfs/dbraw/zinc/47/57/47/979475747.db2.gz PVZAAKIQVFVBAA-UHFFFAOYSA-N 1 2 245.269 1.788 20 0 BDADLO Cc1ccc(-c2ccc(N)nc2)[nH+]c1N ZINC001236309947 979514172 /nfs/dbraw/zinc/51/41/72/979514172.db2.gz XCNOJFQZVKKFEE-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)C(=O)NCC3)c[nH+]1 ZINC001236312505 979516933 /nfs/dbraw/zinc/51/69/33/979516933.db2.gz QPVGJZVQUFCLAY-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO NC(=O)CCc1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236315123 979524482 /nfs/dbraw/zinc/52/44/82/979524482.db2.gz HOIMUFJJMZYERU-UHFFFAOYSA-N 1 2 241.294 1.749 20 0 BDADLO CN1c2cc(-c3ccc(N)[nH+]c3)ccc2CC1=O ZINC001236315131 979525998 /nfs/dbraw/zinc/52/59/98/979525998.db2.gz CPYAHTHGMMENFL-UHFFFAOYSA-N 1 2 239.278 1.850 20 0 BDADLO Nc1ccc(-c2cccc3c2CNC(=O)N3)c[nH+]1 ZINC001236316431 979530429 /nfs/dbraw/zinc/53/04/29/979530429.db2.gz LTRARXZPOHSNQP-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO CN1CCOc2c1cn[nH+]c2C1=CCSCC1 ZINC001236360523 979552953 /nfs/dbraw/zinc/55/29/53/979552953.db2.gz GHHVBIVNDJDWCG-UHFFFAOYSA-N 1 2 249.339 1.826 20 0 BDADLO Cc1ccc(F)c(-c2ncc3c(n2)C[NH2+]C3)c1O ZINC001236394289 979581546 /nfs/dbraw/zinc/58/15/46/979581546.db2.gz VUKDUOGGNRTKAA-UHFFFAOYSA-N 1 2 245.257 1.900 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cncc(O)c1 ZINC001182828507 979654450 /nfs/dbraw/zinc/65/44/50/979654450.db2.gz FTPMBEWKAHENSZ-NSHDSACASA-N 1 2 235.287 1.208 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cncc(O)c1 ZINC001182828507 979654461 /nfs/dbraw/zinc/65/44/61/979654461.db2.gz FTPMBEWKAHENSZ-NSHDSACASA-N 1 2 235.287 1.208 20 0 BDADLO Cc1cnc(C)c(NC(=O)[C@@H]2CC[N@H+]2C(C)C)n1 ZINC001182830620 979656739 /nfs/dbraw/zinc/65/67/39/979656739.db2.gz RQMYJMZBZAPSCS-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO Cc1cnc(C)c(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)n1 ZINC001182830620 979656741 /nfs/dbraw/zinc/65/67/41/979656741.db2.gz RQMYJMZBZAPSCS-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO Cc1nc(C)c(C[NH+]2CCN(CCF)CC2)o1 ZINC001236591110 979673675 /nfs/dbraw/zinc/67/36/75/979673675.db2.gz JLFWKVPGWDJNMO-UHFFFAOYSA-N 1 2 241.310 1.379 20 0 BDADLO COCC[N@H+](Cc1nccnc1Cl)C(C)C ZINC001236613205 979675214 /nfs/dbraw/zinc/67/52/14/979675214.db2.gz WDYBKCNWMBRTKF-UHFFFAOYSA-N 1 2 243.738 1.987 20 0 BDADLO COCC[N@@H+](Cc1nccnc1Cl)C(C)C ZINC001236613205 979675218 /nfs/dbraw/zinc/67/52/18/979675218.db2.gz WDYBKCNWMBRTKF-UHFFFAOYSA-N 1 2 243.738 1.987 20 0 BDADLO O=C(CC(F)F)Nc1cc[nH+]c2c1CCC2 ZINC001182962663 979677218 /nfs/dbraw/zinc/67/72/18/979677218.db2.gz GZFHJIKSPGHKOE-UHFFFAOYSA-N 1 2 226.226 1.586 20 0 BDADLO CN1CC[N@H+](Cc2cccc3occc32)CC1=O ZINC001236734048 979708959 /nfs/dbraw/zinc/70/89/59/979708959.db2.gz FKVSAOODMUDALM-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO CN1CC[N@@H+](Cc2cccc3occc32)CC1=O ZINC001236734048 979708963 /nfs/dbraw/zinc/70/89/63/979708963.db2.gz FKVSAOODMUDALM-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001604815115 979726661 /nfs/dbraw/zinc/72/66/61/979726661.db2.gz PYMVCWQTPBJFRH-LDYMZIIASA-N 1 2 238.287 1.065 20 0 BDADLO Cc1sccc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001342285434 979753497 /nfs/dbraw/zinc/75/34/97/979753497.db2.gz RCOGCQFHKUSFCZ-LURJTMIESA-N 1 2 234.271 1.978 20 0 BDADLO Cn1ncc(NCc2ccc[nH+]c2N)c1C1CC1 ZINC001183197202 979762074 /nfs/dbraw/zinc/76/20/74/979762074.db2.gz PTDLJYGIRFWIJL-UHFFFAOYSA-N 1 2 243.314 1.887 20 0 BDADLO CCOC(=O)c1cc(C[NH+]2CC3(CCC3)C2)[nH]n1 ZINC001237031821 979808956 /nfs/dbraw/zinc/80/89/56/979808956.db2.gz ZLKYSTKRXMNYGF-UHFFFAOYSA-N 1 2 249.314 1.572 20 0 BDADLO COc1ccc2c(c1)n[nH]c2C[NH+]1CCC1 ZINC001237386352 979876910 /nfs/dbraw/zinc/87/69/10/979876910.db2.gz ADOLVXLSCVPMOF-UHFFFAOYSA-N 1 2 217.272 1.777 20 0 BDADLO O=C(N[C@@H]1C[C@H]1F)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752342 979880892 /nfs/dbraw/zinc/88/08/92/979880892.db2.gz HDFIIYGJLUHUPT-UPJWGTAASA-N 1 2 248.301 1.488 20 0 BDADLO O=C(N[C@@H]1C[C@H]1F)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752342 979880897 /nfs/dbraw/zinc/88/08/97/979880897.db2.gz HDFIIYGJLUHUPT-UPJWGTAASA-N 1 2 248.301 1.488 20 0 BDADLO CN(C(=O)CCc1ccc(N)[nH+]c1)C(C)(C)C ZINC001183934156 979902994 /nfs/dbraw/zinc/90/29/94/979902994.db2.gz ZPRXBGLQDYIOLP-UHFFFAOYSA-N 1 2 235.331 1.853 20 0 BDADLO Nc1ccc(CCC(=O)N2CCCCO2)c[nH+]1 ZINC001183928259 979910488 /nfs/dbraw/zinc/91/04/88/979910488.db2.gz ARVLBJMARWEJAQ-UHFFFAOYSA-N 1 2 235.287 1.150 20 0 BDADLO CCN(CC)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183929996 979910930 /nfs/dbraw/zinc/91/09/30/979910930.db2.gz XQKZSTHRJATGOS-UHFFFAOYSA-N 1 2 221.304 1.465 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(Cl)ccnc2F)C[C@@H]1O ZINC001183991602 979924554 /nfs/dbraw/zinc/92/45/54/979924554.db2.gz MCBWYNMONHXBDI-XCBNKYQSSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(Cl)ccnc2F)C[C@@H]1O ZINC001183991602 979924557 /nfs/dbraw/zinc/92/45/57/979924557.db2.gz MCBWYNMONHXBDI-XCBNKYQSSA-N 1 2 244.697 1.687 20 0 BDADLO CCn1cncc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001237588939 979951261 /nfs/dbraw/zinc/95/12/61/979951261.db2.gz ZZYJAYKEFRDJMO-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cncc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001237588939 979951269 /nfs/dbraw/zinc/95/12/69/979951269.db2.gz ZZYJAYKEFRDJMO-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cnc(C)nc1 ZINC001237597490 979952503 /nfs/dbraw/zinc/95/25/03/979952503.db2.gz SKRYIZLJOAADSZ-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO c1nnc(C[N@@H+]2CCCC3(CCC3)C2)[nH]1 ZINC001237612313 979971230 /nfs/dbraw/zinc/97/12/30/979971230.db2.gz WHRBNMKCUVCZCJ-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO c1nnc(C[N@H+]2CCCC3(CCC3)C2)[nH]1 ZINC001237612313 979971238 /nfs/dbraw/zinc/97/12/38/979971238.db2.gz WHRBNMKCUVCZCJ-UHFFFAOYSA-N 1 2 206.293 1.571 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCO[C@H](C)C1 ZINC001237652493 980011667 /nfs/dbraw/zinc/01/16/67/980011667.db2.gz URKAOLXYUGIVAB-SECBINFHSA-N 1 2 209.293 1.193 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCO[C@H](C)C1 ZINC001237652493 980011680 /nfs/dbraw/zinc/01/16/80/980011680.db2.gz URKAOLXYUGIVAB-SECBINFHSA-N 1 2 209.293 1.193 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CC([C@@H](C)OC)C1 ZINC001237652050 980012672 /nfs/dbraw/zinc/01/26/72/980012672.db2.gz FJHGYENYAIJFMQ-SECBINFHSA-N 1 2 223.320 1.439 20 0 BDADLO COC(=O)C1C[NH+](Cc2cccc(F)c2N)C1 ZINC001184290338 980017415 /nfs/dbraw/zinc/01/74/15/980017415.db2.gz KCEXSQAGCVQUDL-UHFFFAOYSA-N 1 2 238.262 1.013 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2c[nH]ccc2=O)n(C)n1 ZINC001237840294 980090390 /nfs/dbraw/zinc/09/03/90/980090390.db2.gz PBZXNGLQPZVGKF-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2c[nH]ccc2=O)n(C)n1 ZINC001237840294 980090401 /nfs/dbraw/zinc/09/04/01/980090401.db2.gz PBZXNGLQPZVGKF-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO COc1ccoc1C[N@@H+]1CC[C@]12CCOC2 ZINC001237871208 980105342 /nfs/dbraw/zinc/10/53/42/980105342.db2.gz VKOWWGSIRIDUPJ-GFCCVEGCSA-N 1 2 223.272 1.653 20 0 BDADLO COc1ccoc1C[N@H+]1CC[C@]12CCOC2 ZINC001237871208 980105350 /nfs/dbraw/zinc/10/53/50/980105350.db2.gz VKOWWGSIRIDUPJ-GFCCVEGCSA-N 1 2 223.272 1.653 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001238094465 980142360 /nfs/dbraw/zinc/14/23/60/980142360.db2.gz LIKOIXKKYPJLQZ-NWDGAFQWSA-N 1 2 225.263 1.215 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001238094465 980142363 /nfs/dbraw/zinc/14/23/63/980142363.db2.gz LIKOIXKKYPJLQZ-NWDGAFQWSA-N 1 2 225.263 1.215 20 0 BDADLO COC1C[NH+](Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001238196214 980224586 /nfs/dbraw/zinc/22/45/86/980224586.db2.gz CPGIKTDXSOGCKL-UHFFFAOYSA-N 1 2 243.310 1.907 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)ccnc2Cl)C[C@H]1O ZINC001238223599 980230436 /nfs/dbraw/zinc/23/04/36/980230436.db2.gz BAHDTTCJTSNRNS-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)ccnc2Cl)C[C@H]1O ZINC001238223599 980230442 /nfs/dbraw/zinc/23/04/42/980230442.db2.gz BAHDTTCJTSNRNS-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[N@@H+](Cc1cc(F)cc(F)c1)Cn1cnnc1 ZINC001343772829 980236393 /nfs/dbraw/zinc/23/63/93/980236393.db2.gz YDHDESOOYZGJFY-UHFFFAOYSA-N 1 2 238.241 1.646 20 0 BDADLO C[N@H+](Cc1cc(F)cc(F)c1)Cn1cnnc1 ZINC001343772829 980236401 /nfs/dbraw/zinc/23/64/01/980236401.db2.gz YDHDESOOYZGJFY-UHFFFAOYSA-N 1 2 238.241 1.646 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)ncc2F)CC12CC2 ZINC001344070606 980333562 /nfs/dbraw/zinc/33/35/62/980333562.db2.gz UWLPQXJCDFDLGD-SNVBAGLBSA-N 1 2 240.253 1.317 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)ncc2F)CC12CC2 ZINC001344070606 980333568 /nfs/dbraw/zinc/33/35/68/980333568.db2.gz UWLPQXJCDFDLGD-SNVBAGLBSA-N 1 2 240.253 1.317 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(F)ncc2F)CC12CC2 ZINC001344070605 980334689 /nfs/dbraw/zinc/33/46/89/980334689.db2.gz UWLPQXJCDFDLGD-JTQLQIEISA-N 1 2 240.253 1.317 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(F)ncc2F)CC12CC2 ZINC001344070605 980334704 /nfs/dbraw/zinc/33/47/04/980334704.db2.gz UWLPQXJCDFDLGD-JTQLQIEISA-N 1 2 240.253 1.317 20 0 BDADLO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001344333620 980371477 /nfs/dbraw/zinc/37/14/77/980371477.db2.gz DAOJMGRKXCMENZ-MFKMUULPSA-N 1 2 243.347 1.731 20 0 BDADLO COCCNC(=O)Nc1cccc2[nH+]ccn21 ZINC001186493811 980379658 /nfs/dbraw/zinc/37/96/58/980379658.db2.gz GRRSRPLRTMPFAI-UHFFFAOYSA-N 1 2 234.259 1.102 20 0 BDADLO Cc1nc(N2CC[C@H](O)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001186463122 980383312 /nfs/dbraw/zinc/38/33/12/980383312.db2.gz YTZCLYRUCLUZSF-ZANVPECISA-N 1 2 247.342 1.623 20 0 BDADLO Cc1n[nH]c(C)c1C[NH+]1CC(O)(C(C)C)C1 ZINC001344570470 980433275 /nfs/dbraw/zinc/43/32/75/980433275.db2.gz VNJVKAYOEIQECT-UHFFFAOYSA-N 1 2 223.320 1.229 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/[C@@H]1CCOC1 ZINC001344821346 980478450 /nfs/dbraw/zinc/47/84/50/980478450.db2.gz ACRHKJCPDZILKM-VMZHVLLKSA-N 1 2 236.271 1.056 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000075373729 980526229 /nfs/dbraw/zinc/52/62/29/980526229.db2.gz ATDOLOWXQQBKHM-GMTAPVOTSA-N 1 2 221.304 1.749 20 0 BDADLO CC(C)CC(=O)OCCCc1c[nH+]cn1C ZINC001345052759 980535044 /nfs/dbraw/zinc/53/50/44/980535044.db2.gz VWUPCFKRVXENKR-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO CN1CCOc2c1cn[nH+]c2-c1ccccc1 ZINC001239465859 980588760 /nfs/dbraw/zinc/58/87/60/980588760.db2.gz QGYJHKIYHMAQPL-UHFFFAOYSA-N 1 2 227.267 1.972 20 0 BDADLO Cn1ccc(C(=O)OCC(C)(C)n2cc[nH+]c2)c1 ZINC001345330937 980602097 /nfs/dbraw/zinc/60/20/97/980602097.db2.gz KYLSRIJCEDGHPP-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO Cc1[nH]ccc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001188151831 980606960 /nfs/dbraw/zinc/60/69/60/980606960.db2.gz PIWKIWPADGQNNS-UHFFFAOYSA-N 1 2 241.294 1.881 20 0 BDADLO C[NH+](C)Cc1nnc(CC(C)(F)F)o1 ZINC001345571307 980635241 /nfs/dbraw/zinc/63/52/41/980635241.db2.gz WEZCQERHBQJBKE-UHFFFAOYSA-N 1 2 205.208 1.329 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)c[nH]1 ZINC001188200613 980618560 /nfs/dbraw/zinc/61/85/60/980618560.db2.gz ALIPMBPMDOCPHC-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ncccc1F ZINC001345610121 980647065 /nfs/dbraw/zinc/64/70/65/980647065.db2.gz QNZIDAKRCCCEIF-UHFFFAOYSA-N 1 2 249.245 1.794 20 0 BDADLO c1cc(CC[NH+]2CCOCC2)c2c(c1)OCCO2 ZINC001250278007 980650983 /nfs/dbraw/zinc/65/09/83/980650983.db2.gz QUQQNBXRSXDILJ-UHFFFAOYSA-N 1 2 249.310 1.333 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1C[C@H]1F ZINC001345692980 980670333 /nfs/dbraw/zinc/67/03/33/980670333.db2.gz SQQOXFJEOMIFMB-RKDXNWHRSA-N 1 2 226.251 1.254 20 0 BDADLO C[C@H](Cc1nnc(C[NH+](C)C)o1)C1CC1 ZINC001345942184 980713301 /nfs/dbraw/zinc/71/33/01/980713301.db2.gz XGFXUYNHQDNBFT-MRVPVSSYSA-N 1 2 209.293 1.720 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@]1(C)CC1(F)F ZINC001345995477 980727175 /nfs/dbraw/zinc/72/71/75/980727175.db2.gz BGIFYVMWYBBUIT-SNVBAGLBSA-N 1 2 244.241 1.992 20 0 BDADLO CCOc1ncc(CCn2cc[nH+]c2)cn1 ZINC001250316281 980747168 /nfs/dbraw/zinc/74/71/68/980747168.db2.gz GOOAIDMYJHIXIN-UHFFFAOYSA-N 1 2 218.260 1.315 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]c(=O)[nH]1 ZINC001189544260 980800171 /nfs/dbraw/zinc/80/01/71/980800171.db2.gz ZQJIKWHJNNAOEG-UHFFFAOYSA-N 1 2 243.226 1.015 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001346279931 980802799 /nfs/dbraw/zinc/80/27/99/980802799.db2.gz PPVSXJQAVBVXSU-VHSXEESVSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001346307752 980806638 /nfs/dbraw/zinc/80/66/38/980806638.db2.gz USIQGAJPHBXNCM-VHSXEESVSA-N 1 2 223.320 1.995 20 0 BDADLO CNc1ccc(Cc2ncccn2)c[nH+]1 ZINC001250342481 980810018 /nfs/dbraw/zinc/81/00/18/980810018.db2.gz FFYMWPARDVAKPH-UHFFFAOYSA-N 1 2 200.245 1.504 20 0 BDADLO Cc1nc(C(=O)Nc2cccc3[nH+]ccn32)n[nH]1 ZINC001189859558 980819478 /nfs/dbraw/zinc/81/94/78/980819478.db2.gz QGFLIUNRLRJIDT-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO CCc1cn(CC(=O)[C@@H]2CCCOC2)c[nH+]1 ZINC001190103135 980845629 /nfs/dbraw/zinc/84/56/29/980845629.db2.gz IQVLKFOMKOHDDG-SNVBAGLBSA-N 1 2 222.288 1.441 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(F)nc1 ZINC001346695157 980886867 /nfs/dbraw/zinc/88/68/67/980886867.db2.gz KIQNTSKRYRHABK-UHFFFAOYSA-N 1 2 248.261 1.526 20 0 BDADLO CCCCNC(=O)Nc1c[nH+]c(C)n1C ZINC001190591283 980894294 /nfs/dbraw/zinc/89/42/94/980894294.db2.gz NKUYDCALEWXADA-UHFFFAOYSA-N 1 2 210.281 1.650 20 0 BDADLO CN1CCOc2c1cn[nH+]c2C1=CCCC1 ZINC001239786287 980912242 /nfs/dbraw/zinc/91/22/42/980912242.db2.gz QUVFRPVQJOUQLC-UHFFFAOYSA-N 1 2 217.272 1.873 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001346871794 980926797 /nfs/dbraw/zinc/92/67/97/980926797.db2.gz XENIBXRUOXFHBN-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO CCn1cccc1C(=O)NCc1c[nH+]cn1C ZINC001347096715 980965420 /nfs/dbraw/zinc/96/54/20/980965420.db2.gz FFSNUJCTVKGULD-UHFFFAOYSA-N 1 2 232.287 1.172 20 0 BDADLO NC(=O)c1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001239880874 981016138 /nfs/dbraw/zinc/01/61/38/981016138.db2.gz IILZXTNRVGJNPT-UHFFFAOYSA-N 1 2 238.250 1.675 20 0 BDADLO Cc1ccc(F)cc1NC(=O)NC1C[NH+](C)C1 ZINC001191425744 981032212 /nfs/dbraw/zinc/03/22/12/981032212.db2.gz NSLYBPXMWJMHQJ-UHFFFAOYSA-N 1 2 237.278 1.570 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCCc1[nH+]ccn1C ZINC001347329307 981048240 /nfs/dbraw/zinc/04/82/40/981048240.db2.gz JBFUAWLOUJKTCA-KHPPLWFESA-N 1 2 235.331 1.825 20 0 BDADLO O=C(NCCC(F)F)[C@@H]1CCn2c[nH+]cc2C1 ZINC001347607952 981126638 /nfs/dbraw/zinc/12/66/38/981126638.db2.gz QMQFTEGSFHQKEN-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO NC(=O)c1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001240213740 981162008 /nfs/dbraw/zinc/16/20/08/981162008.db2.gz CVBNJALOQAFONP-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO CCn1ncc(-c2ccc3[nH+]ccn3c2)cc1=O ZINC001240222058 981175364 /nfs/dbraw/zinc/17/53/64/981175364.db2.gz WCINFHNEJFJUKB-UHFFFAOYSA-N 1 2 240.266 1.578 20 0 BDADLO c1csc(NCCC[NH+]2CCOCC2)n1 ZINC000037388230 981187259 /nfs/dbraw/zinc/18/72/59/981187259.db2.gz QXQXOYRNDFFRBK-UHFFFAOYSA-N 1 2 227.333 1.277 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CCCOC1 ZINC001347973226 981232356 /nfs/dbraw/zinc/23/23/56/981232356.db2.gz SVFIHEZIBTWNOO-SNVBAGLBSA-N 1 2 238.287 1.373 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)no1 ZINC001348110911 981283309 /nfs/dbraw/zinc/28/33/09/981283309.db2.gz PXIZNJDFMBHRSV-SECBINFHSA-N 1 2 233.271 1.934 20 0 BDADLO Cc1cc(F)cc(N2CN(C)C(=O)[C@H]2C)[nH+]1 ZINC001348224100 981311075 /nfs/dbraw/zinc/31/10/75/981311075.db2.gz CIDYSWGPKCMOIN-MRVPVSSYSA-N 1 2 223.251 1.154 20 0 BDADLO O=S(=O)(CC1CCC1)Nc1cc[nH+]cc1 ZINC001193463042 981336195 /nfs/dbraw/zinc/33/61/95/981336195.db2.gz LMBKBXYUPVGFNX-UHFFFAOYSA-N 1 2 226.301 1.045 20 0 BDADLO Cc1nc(NCC(C)(C)[C@@H](C)O)cc[nH+]1 ZINC001348386231 981351024 /nfs/dbraw/zinc/35/10/24/981351024.db2.gz DMFNENDOTUWRCE-MRVPVSSYSA-N 1 2 209.293 1.604 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CCCC1 ZINC001348425511 981362667 /nfs/dbraw/zinc/36/26/67/981362667.db2.gz VJHUHQCVDKWGSX-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO CC(C)OC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001193522114 981371245 /nfs/dbraw/zinc/37/12/45/981371245.db2.gz ZCNIPOULUKAXMN-UHFFFAOYSA-N 1 2 237.303 1.928 20 0 BDADLO Cc1nn(C)c(C)c1[C@@H](O)CNc1cccc[nH+]1 ZINC001348595372 981404449 /nfs/dbraw/zinc/40/44/49/981404449.db2.gz LAZOMYMGAAWEPH-NSHDSACASA-N 1 2 246.314 1.577 20 0 BDADLO CCCCOC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001193722675 981414793 /nfs/dbraw/zinc/41/47/93/981414793.db2.gz VXIXMZPFEXTILL-NSHDSACASA-N 1 2 244.335 1.233 20 0 BDADLO CCCCOC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001193722675 981414796 /nfs/dbraw/zinc/41/47/96/981414796.db2.gz VXIXMZPFEXTILL-NSHDSACASA-N 1 2 244.335 1.233 20 0 BDADLO CC(C)COC(=O)NCc1c[nH+]cn1CCF ZINC001193871009 981489085 /nfs/dbraw/zinc/48/90/85/981489085.db2.gz ODBDSZMIMHUARP-UHFFFAOYSA-N 1 2 243.282 1.735 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC001203784323 981492800 /nfs/dbraw/zinc/49/28/00/981492800.db2.gz UICDGDXTJVMIAC-NWDGAFQWSA-N 1 2 227.254 1.994 20 0 BDADLO COC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001193895213 981499778 /nfs/dbraw/zinc/49/97/78/981499778.db2.gz FPZYBWWVRMIBEI-JTQLQIEISA-N 1 2 222.244 1.301 20 0 BDADLO CCn1nccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001240699634 981626355 /nfs/dbraw/zinc/62/63/55/981626355.db2.gz KHNLFMMLRNKSIL-UHFFFAOYSA-N 1 2 227.271 1.800 20 0 BDADLO Cc1nc(C(=O)Nc2ccn3cc[nH+]c3c2)co1 ZINC001583150180 981800766 /nfs/dbraw/zinc/80/07/66/981800766.db2.gz IWAIDIIOYOWINC-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001350346165 981936081 /nfs/dbraw/zinc/93/60/81/981936081.db2.gz ZGRKFNHUICIOPR-UWVGGRQHSA-N 1 2 238.287 1.371 20 0 BDADLO C/C=C/C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001350586581 982010828 /nfs/dbraw/zinc/01/08/28/982010828.db2.gz VVKHYMANUNDFBD-OGOUPESXSA-N 1 2 247.342 1.777 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001586736988 982014567 /nfs/dbraw/zinc/01/45/67/982014567.db2.gz AOMWEUGKSBWMTF-NSHDSACASA-N 1 2 245.326 1.595 20 0 BDADLO CN(Cc1c[nH+]cn1C)Cc1noc(C2CC2)n1 ZINC001195055173 982039066 /nfs/dbraw/zinc/03/90/66/982039066.db2.gz KYZDJVBXRXHYLL-UHFFFAOYSA-N 1 2 247.302 1.313 20 0 BDADLO C/C=C(/C)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001350750181 982067444 /nfs/dbraw/zinc/06/74/44/982067444.db2.gz IUCNMYLEKQRYPU-UITAMQMPSA-N 1 2 237.303 1.319 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC001587905555 982102187 /nfs/dbraw/zinc/10/21/87/982102187.db2.gz USFZGDQGSCJMTH-NSHDSACASA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC001587905555 982102194 /nfs/dbraw/zinc/10/21/94/982102194.db2.gz USFZGDQGSCJMTH-NSHDSACASA-N 1 2 244.298 1.596 20 0 BDADLO CC(C)(C)c1cn(CCO[C@@H]2CCOC2)c[nH+]1 ZINC001350877276 982111885 /nfs/dbraw/zinc/11/18/85/982111885.db2.gz WHMXGUOPBQXMDU-LLVKDONJSA-N 1 2 238.331 1.986 20 0 BDADLO C/C=C/C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001588317643 982129353 /nfs/dbraw/zinc/12/93/53/982129353.db2.gz PTVXHKUTXZHNPL-XVNBXDOJSA-N 1 2 233.315 1.600 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cc(CO)on1)c1cn[nH]c1 ZINC001350959393 982136292 /nfs/dbraw/zinc/13/62/92/982136292.db2.gz YTXWMSBCQPXWND-YUMQZZPRSA-N 1 2 236.275 1.302 20 0 BDADLO CC[C@@H](C)OC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001195150164 982138371 /nfs/dbraw/zinc/13/83/71/982138371.db2.gz GPERCIKXMHQFFU-SNVBAGLBSA-N 1 2 249.314 1.795 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)OCCF)[nH+]1 ZINC001195328398 982178402 /nfs/dbraw/zinc/17/84/02/982178402.db2.gz ZOIPDPYCRIQPHD-UHFFFAOYSA-N 1 2 229.255 1.729 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)OCCF)c[nH+]1 ZINC001195328398 982178410 /nfs/dbraw/zinc/17/84/10/982178410.db2.gz ZOIPDPYCRIQPHD-UHFFFAOYSA-N 1 2 229.255 1.729 20 0 BDADLO Cn1cnc2cc(-c3cc[nH+]c(N)c3)cnc21 ZINC001241161950 982298810 /nfs/dbraw/zinc/29/88/10/982298810.db2.gz BYDFXJNGPGHZQA-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO Nc1cc(-c2cccc3c2CNC3=O)cc[nH+]1 ZINC001241162272 982299577 /nfs/dbraw/zinc/29/95/77/982299577.db2.gz HEJBLGANRKKCTC-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO Nc1cc(-c2cccc3c2CCNC3=O)cc[nH+]1 ZINC001241170280 982320546 /nfs/dbraw/zinc/32/05/46/982320546.db2.gz FYOWXKDXXBUPGV-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO Nc1cc(-c2ccc3c(c2)CCNC3=O)cc[nH+]1 ZINC001241171215 982321147 /nfs/dbraw/zinc/32/11/47/982321147.db2.gz YXQQTXWNQWGHPY-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO COc1ccc(-c2c[nH+]c(N(C)C)cc2C)nn1 ZINC001241228531 982380905 /nfs/dbraw/zinc/38/09/05/982380905.db2.gz PBHDERDAGCOKCN-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(=O)n(C)n1 ZINC001241243378 982385367 /nfs/dbraw/zinc/38/53/67/982385367.db2.gz GGHDCAWAIGWMJG-UHFFFAOYSA-N 1 2 244.298 1.217 20 0 BDADLO CCN(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001351798539 982390500 /nfs/dbraw/zinc/39/05/00/982390500.db2.gz KJYUQOSJNIMRDJ-UHFFFAOYSA-N 1 2 222.292 1.285 20 0 BDADLO C[C@H](C(=O)N1CC(=O)CC[C@@H]1C)n1cc[nH+]c1 ZINC001351807771 982395358 /nfs/dbraw/zinc/39/53/58/982395358.db2.gz ZEZWRHKYADTDOL-VHSXEESVSA-N 1 2 235.287 1.024 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCCCF ZINC001352218523 982494432 /nfs/dbraw/zinc/49/44/32/982494432.db2.gz CULBHWUUWHRUAI-UHFFFAOYSA-N 1 2 227.283 1.219 20 0 BDADLO C[NH+]1CC(OCc2nc3ccccc3[nH]2)C1 ZINC001205801887 982519801 /nfs/dbraw/zinc/51/98/01/982519801.db2.gz FGGYBXSSGCEHPQ-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC(C)(C)F ZINC001352485425 982534442 /nfs/dbraw/zinc/53/44/42/982534442.db2.gz GCNYTLXWJIOWOW-UHFFFAOYSA-N 1 2 227.283 1.217 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc2cc[nH]c2cn1 ZINC001300124484 982592084 /nfs/dbraw/zinc/59/20/84/982592084.db2.gz FACSQYRKACTCDN-NSHDSACASA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc2cc[nH]c2cn1 ZINC001300124484 982592090 /nfs/dbraw/zinc/59/20/90/982592090.db2.gz FACSQYRKACTCDN-NSHDSACASA-N 1 2 244.298 1.596 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@H+](C[C@@H]2CCCCO2)C1 ZINC001197785143 982592280 /nfs/dbraw/zinc/59/22/80/982592280.db2.gz BHANXGITTBSRRF-AAEUAGOBSA-N 1 2 249.358 1.973 20 0 BDADLO CC(=CC=C[NH3+])c1ccc(-c2nn[nH]n2)cc1 ZINC001241444004 982597098 /nfs/dbraw/zinc/59/70/98/982597098.db2.gz MDHZNTYIUCSZIH-CPJVMOPCSA-N 1 2 227.271 1.742 20 0 BDADLO Cc1cccc(NC(=S)NC2C[NH+](C)C2)c1 ZINC001198700155 982826383 /nfs/dbraw/zinc/82/63/83/982826383.db2.gz LNEHVWFNIMOBCE-UHFFFAOYSA-N 1 2 235.356 1.595 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(C)CC1 ZINC001353888228 983052608 /nfs/dbraw/zinc/05/26/08/983052608.db2.gz MIVGVCNUYVGKFS-HBNTYKKESA-N 1 2 247.342 1.828 20 0 BDADLO Cc1ncoc1COC(=O)CCCn1cc[nH+]c1 ZINC001273806449 983065581 /nfs/dbraw/zinc/06/55/81/983065581.db2.gz KTUBAFHRJSQPGM-UHFFFAOYSA-N 1 2 249.270 1.703 20 0 BDADLO Cc1cc(NC(=S)NC(C)(C)C)cc[nH+]1 ZINC001200893142 983106349 /nfs/dbraw/zinc/10/63/49/983106349.db2.gz WJNPQOQQKGOJJX-UHFFFAOYSA-N 1 2 223.345 1.897 20 0 BDADLO Cn1ncc(NC(=O)Cc2c[nH]c[nH+]2)c1C1CC1 ZINC001354092770 983150782 /nfs/dbraw/zinc/15/07/82/983150782.db2.gz IMIVBJJIWXOGMR-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO C[NH2+]Cc1cc(-c2ccc3nn[nH]c3c2)ncn1 ZINC001241940304 983156562 /nfs/dbraw/zinc/15/65/62/983156562.db2.gz IIIJSLDAOUPEHE-UHFFFAOYSA-N 1 2 240.270 1.134 20 0 BDADLO C[NH2+]Cc1cc(-c2ccc3[nH]nnc3c2)ncn1 ZINC001241940304 983156565 /nfs/dbraw/zinc/15/65/65/983156565.db2.gz IIIJSLDAOUPEHE-UHFFFAOYSA-N 1 2 240.270 1.134 20 0 BDADLO CC[S@@](=O)CCNc1cc(F)cc(C)[nH+]1 ZINC001354109012 983158154 /nfs/dbraw/zinc/15/81/54/983158154.db2.gz LAKSOOFZLRBJPY-OAHLLOKOSA-N 1 2 230.308 1.710 20 0 BDADLO Nc1ccc(Nc2cc3c(cc2N)OCO3)c[nH+]1 ZINC001201285984 983161816 /nfs/dbraw/zinc/16/18/16/983161816.db2.gz UBKPOVUQKHAJGZ-UHFFFAOYSA-N 1 2 244.254 1.718 20 0 BDADLO NC(=O)Nc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201292552 983169942 /nfs/dbraw/zinc/16/99/42/983169942.db2.gz ZUZVHTFSYOJLKH-UHFFFAOYSA-N 1 2 243.270 1.898 20 0 BDADLO Nc1ccc(Nc2nccnc2Cl)c[nH+]1 ZINC001201272564 983172198 /nfs/dbraw/zinc/17/21/98/983172198.db2.gz PTYLLFRHRPHWBQ-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO COc1ccc(Nc2ccc(N)[nH+]c2)nn1 ZINC001201271768 983173164 /nfs/dbraw/zinc/17/31/64/983173164.db2.gz BGDGZRZIWCIOJQ-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO COc1cc(Nc2ccc(N)[nH+]c2)nc(OC)n1 ZINC001201275349 983175140 /nfs/dbraw/zinc/17/51/40/983175140.db2.gz CAKWYPJASNCOQF-UHFFFAOYSA-N 1 2 247.258 1.215 20 0 BDADLO CCOc1nccnc1Nc1ccc(N)[nH+]c1 ZINC001201275347 983175908 /nfs/dbraw/zinc/17/59/08/983175908.db2.gz BZCWZQHLANZAIH-UHFFFAOYSA-N 1 2 231.259 1.596 20 0 BDADLO NC(=O)c1ccsc1Nc1ccc(N)[nH+]c1 ZINC001201272832 983177073 /nfs/dbraw/zinc/17/70/73/983177073.db2.gz VEDYYTKNCAINEI-UHFFFAOYSA-N 1 2 234.284 1.568 20 0 BDADLO Nc1cc(N[C@H](CCO)c2ccco2)[nH+]cn1 ZINC001354164673 983178813 /nfs/dbraw/zinc/17/88/13/983178813.db2.gz XRFYMTKDIGFESN-MRVPVSSYSA-N 1 2 234.259 1.187 20 0 BDADLO COc1cc(F)ncc1Nc1ccc(N)[nH+]c1 ZINC001201278847 983179018 /nfs/dbraw/zinc/17/90/18/983179018.db2.gz HWSYEDCTVLENFP-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO CCc1ccc(N(C)[C@H](CC)CO)[nH+]c1 ZINC001354205205 983193344 /nfs/dbraw/zinc/19/33/44/983193344.db2.gz XNBQMPKFZIKQFA-LLVKDONJSA-N 1 2 208.305 1.851 20 0 BDADLO CNC(=S)Nc1ccc2[nH+]c(C)cn2c1 ZINC001200602656 983211968 /nfs/dbraw/zinc/21/19/68/983211968.db2.gz WYTUETHXICKESN-UHFFFAOYSA-N 1 2 220.301 1.559 20 0 BDADLO O=C1CCC(=O)N1c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242017089 983219599 /nfs/dbraw/zinc/21/95/99/983219599.db2.gz BEGFTHQVJWBKAU-UHFFFAOYSA-N 1 2 241.250 1.730 20 0 BDADLO C[C@H]([NH3+])C[N@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001592959624 983226465 /nfs/dbraw/zinc/22/64/65/983226465.db2.gz WFQRQDOUJWXKST-GZMMTYOYSA-N 1 2 240.278 1.230 20 0 BDADLO S=C(NCc1ccc2[nH+]ccn2c1)NC1CC1 ZINC001200640822 983294825 /nfs/dbraw/zinc/29/48/25/983294825.db2.gz RKACJVMVXVJQOB-UHFFFAOYSA-N 1 2 246.339 1.461 20 0 BDADLO COc1cnnc(-c2c[nH+]c(N)cc2C)c1 ZINC001242070877 983305656 /nfs/dbraw/zinc/30/56/56/983305656.db2.gz NTBKUMHXMLHUBI-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO COc1ncc(F)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242072317 983307752 /nfs/dbraw/zinc/30/77/52/983307752.db2.gz IWNZFVURIHKWIM-UHFFFAOYSA-N 1 2 234.234 1.577 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2c(n1)CCC2 ZINC001242073101 983309792 /nfs/dbraw/zinc/30/97/92/983309792.db2.gz XQIZEZANQVAEAU-UHFFFAOYSA-N 1 2 226.283 1.918 20 0 BDADLO Cc1nc2cnc(-c3c[nH+]c(N)cc3C)nc2[nH]1 ZINC001242072834 983310241 /nfs/dbraw/zinc/31/02/41/983310241.db2.gz RKFBEMAVSUTBCL-UHFFFAOYSA-N 1 2 240.270 1.566 20 0 BDADLO Cc1cc(CNCc2c[nH+]ccc2N(C)C)n[nH]1 ZINC001200713725 983327273 /nfs/dbraw/zinc/32/72/73/983327273.db2.gz FTLNSRHYSAWMMO-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO Cc1cc(CNCc2c[nH+]ccc2N(C)C)[nH]n1 ZINC001200713725 983327278 /nfs/dbraw/zinc/32/72/78/983327278.db2.gz FTLNSRHYSAWMMO-UHFFFAOYSA-N 1 2 245.330 1.469 20 0 BDADLO OC[C@@H]1C[N@H+](CC2CC2)CC(F)(F)C1 ZINC001201875957 983503632 /nfs/dbraw/zinc/50/36/32/983503632.db2.gz QZUKGOKHPRYDOD-VIFPVBQESA-N 1 2 205.248 1.346 20 0 BDADLO OC[C@@H]1C[N@@H+](CC2CC2)CC(F)(F)C1 ZINC001201875957 983503639 /nfs/dbraw/zinc/50/36/39/983503639.db2.gz QZUKGOKHPRYDOD-VIFPVBQESA-N 1 2 205.248 1.346 20 0 BDADLO Nc1[nH+]cccc1-c1cc(F)ccc1CO ZINC001242339623 983585121 /nfs/dbraw/zinc/58/51/21/983585121.db2.gz DDVSXQINDJVMGX-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO O=c1c(F)cncn1Cc1[nH+]ccn1C(F)F ZINC001473032668 983601094 /nfs/dbraw/zinc/60/10/94/983601094.db2.gz HHIZMTAWXXRYGI-UHFFFAOYSA-N 1 2 244.176 1.022 20 0 BDADLO C[C@H](C(=O)Nc1ccsn1)n1cc[nH+]c1 ZINC001152972202 983622461 /nfs/dbraw/zinc/62/24/61/983622461.db2.gz BSLBYZQWIXCJHA-SSDOTTSWSA-N 1 2 222.273 1.539 20 0 BDADLO CCCC[C@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252105648 983652918 /nfs/dbraw/zinc/65/29/18/983652918.db2.gz IHGIHBRSLVKCDY-JTQLQIEISA-N 1 2 241.335 1.834 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCCC(F)(F)F ZINC001202441948 983661235 /nfs/dbraw/zinc/66/12/35/983661235.db2.gz IBBFVKWUJCPJKV-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCCC(F)(F)F ZINC001202441948 983661247 /nfs/dbraw/zinc/66/12/47/983661247.db2.gz IBBFVKWUJCPJKV-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCCC(F)(F)F ZINC001202433319 983673921 /nfs/dbraw/zinc/67/39/21/983673921.db2.gz LWNXDQUDGHLQLZ-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCCC(F)(F)F ZINC001202433319 983673922 /nfs/dbraw/zinc/67/39/22/983673922.db2.gz LWNXDQUDGHLQLZ-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C1(C)CCC1 ZINC001488647047 983686049 /nfs/dbraw/zinc/68/60/49/983686049.db2.gz IXWSVJGXAYUBRB-LLVKDONJSA-N 1 2 242.338 1.679 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)C1(C)CCC1 ZINC001488647047 983686055 /nfs/dbraw/zinc/68/60/55/983686055.db2.gz IXWSVJGXAYUBRB-LLVKDONJSA-N 1 2 242.338 1.679 20 0 BDADLO Cc1ncc(-c2ccc[nH+]c2N)cc1N ZINC001242410383 983717314 /nfs/dbraw/zinc/71/73/14/983717314.db2.gz WFRQVTVGKFHVAK-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO COC(=O)[C@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001252426225 983762559 /nfs/dbraw/zinc/76/25/59/983762559.db2.gz RYWMRXQBCZSYQE-GFCCVEGCSA-N 1 2 246.266 1.181 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC12CC2 ZINC001357819347 983787353 /nfs/dbraw/zinc/78/73/53/983787353.db2.gz MAKBJGOLMRGFCV-VIFPVBQESA-N 1 2 206.245 1.263 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(CO)o1 ZINC000873187112 983899487 /nfs/dbraw/zinc/89/94/87/983899487.db2.gz LOOXLOOEAMTBCS-JTQLQIEISA-N 1 2 247.298 1.721 20 0 BDADLO CC[N@H+](Cc1ccc(Cl)nc1)C1COC1 ZINC001137168025 984015553 /nfs/dbraw/zinc/01/55/53/984015553.db2.gz JVDZWJZXTLSLAM-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CC[N@@H+](Cc1ccc(Cl)nc1)C1COC1 ZINC001137168025 984015564 /nfs/dbraw/zinc/01/55/64/984015564.db2.gz JVDZWJZXTLSLAM-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC001436620092 984334907 /nfs/dbraw/zinc/33/49/07/984334907.db2.gz RESROORNALXFLF-TUAOUCFPSA-N 1 2 247.342 1.515 20 0 BDADLO COC(=O)c1ncc(/C(C)=C/C=C/[NH3+])cn1 ZINC001243009470 984369132 /nfs/dbraw/zinc/36/91/32/984369132.db2.gz FBUITCHVTFUHMO-MSLMYCKWSA-N 1 2 219.244 1.139 20 0 BDADLO COc1nccc(-c2c[nH+]cn2C)c1C ZINC001243068465 984486398 /nfs/dbraw/zinc/48/63/98/984486398.db2.gz YWWJZRNQYJLDOW-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO CC1(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC001323008996 984535689 /nfs/dbraw/zinc/53/56/89/984535689.db2.gz WGLGQGAPGZQBFC-UHFFFAOYSA-N 1 2 248.330 1.735 20 0 BDADLO Cc1cc(-c2c[nH+]cn2C)ccc1CO ZINC001243189803 984663449 /nfs/dbraw/zinc/66/34/49/984663449.db2.gz YHFYTLJBAAXOLH-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO COc1ccc(-c2ccc[nH+]c2N)c(CO)c1 ZINC001243248386 984802488 /nfs/dbraw/zinc/80/24/88/984802488.db2.gz HYOMNPHGTHCTLU-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ncoc1C(C)C ZINC001326797932 984824146 /nfs/dbraw/zinc/82/41/46/984824146.db2.gz QJHNXUWZVLKJTD-WDEREUQCSA-N 1 2 240.303 1.301 20 0 BDADLO OCc1ccc(-c2cccc3[nH+]ccn32)cn1 ZINC001243466703 984991162 /nfs/dbraw/zinc/99/11/62/984991162.db2.gz CNSBSALKWXHYBM-UHFFFAOYSA-N 1 2 225.251 1.889 20 0 BDADLO OCc1ccc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001243470321 985006726 /nfs/dbraw/zinc/00/67/26/985006726.db2.gz UFEUXXOSSKVWAX-UHFFFAOYSA-N 1 2 241.294 1.637 20 0 BDADLO Nc1[nH+]cccc1-c1cncc2c1CC(=O)N2 ZINC001243473418 985023175 /nfs/dbraw/zinc/02/31/75/985023175.db2.gz KXOGVKBUILVVAH-UHFFFAOYSA-N 1 2 226.239 1.220 20 0 BDADLO Cc1c(C(N)=O)cccc1-c1ccc[nH+]c1N ZINC001243475481 985028730 /nfs/dbraw/zinc/02/87/30/985028730.db2.gz JKPUZFAMQCQJKJ-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO CC[C@H](C)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001257444469 985030102 /nfs/dbraw/zinc/03/01/02/985030102.db2.gz VSQADLSRYNZMOY-VHSXEESVSA-N 1 2 249.351 1.244 20 0 BDADLO COCOc1cnc(F)cc1-c1ccc[nH+]c1N ZINC001243475349 985031039 /nfs/dbraw/zinc/03/10/39/985031039.db2.gz WIEQGGYHNIFNMU-UHFFFAOYSA-N 1 2 249.245 1.848 20 0 BDADLO COCCOc1ncc(-c2ccc[nH+]c2N)cn1 ZINC001243477988 985044110 /nfs/dbraw/zinc/04/41/10/985044110.db2.gz VVKZUQRSNYQXBZ-UHFFFAOYSA-N 1 2 246.270 1.146 20 0 BDADLO COCC[N@H+](CCF)Cc1c(C)n[nH]c1C ZINC000686017746 985045360 /nfs/dbraw/zinc/04/53/60/985045360.db2.gz MOMYUJUUGSKLCW-UHFFFAOYSA-N 1 2 229.299 1.444 20 0 BDADLO COCC[N@@H+](CCF)Cc1c(C)n[nH]c1C ZINC000686017746 985045372 /nfs/dbraw/zinc/04/53/72/985045372.db2.gz MOMYUJUUGSKLCW-UHFFFAOYSA-N 1 2 229.299 1.444 20 0 BDADLO Cc1oncc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001456359117 985138645 /nfs/dbraw/zinc/13/86/45/985138645.db2.gz ZEVLODPUPVAFIG-MRVPVSSYSA-N 1 2 234.259 1.057 20 0 BDADLO OC1C[NH+](Cc2ccc(-c3nccs3)cc2)C1 ZINC001243638501 985153016 /nfs/dbraw/zinc/15/30/16/985153016.db2.gz ZUQHJHHAEDAGJO-UHFFFAOYSA-N 1 2 246.335 1.987 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ncccc2O)C[C@@H]1F ZINC001138390527 985303660 /nfs/dbraw/zinc/30/36/60/985303660.db2.gz ACZPAJWGTCRYAH-NWDGAFQWSA-N 1 2 240.278 1.082 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ncccc2O)C[C@@H]1F ZINC001138390527 985303670 /nfs/dbraw/zinc/30/36/70/985303670.db2.gz ACZPAJWGTCRYAH-NWDGAFQWSA-N 1 2 240.278 1.082 20 0 BDADLO CN(C)c1ccc(C[NH+]2CCOCC2)s1 ZINC001138489461 985390750 /nfs/dbraw/zinc/39/07/50/985390750.db2.gz QRJXULKKQCUYPU-UHFFFAOYSA-N 1 2 226.345 1.646 20 0 BDADLO CCc1cn(CC(=O)c2ccns2)c[nH+]1 ZINC001459262834 985426400 /nfs/dbraw/zinc/42/64/00/985426400.db2.gz PCFQNJADFWMYEL-UHFFFAOYSA-N 1 2 221.285 1.785 20 0 BDADLO Cc1nc(N[C@H]2COC3(CCC3)C2)cc[nH+]1 ZINC000688318429 985609666 /nfs/dbraw/zinc/60/96/66/985609666.db2.gz FEHOMIVTEOYLSR-SNVBAGLBSA-N 1 2 219.288 1.909 20 0 BDADLO c1snnc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000688333926 985621882 /nfs/dbraw/zinc/62/18/82/985621882.db2.gz GDNLWCIAYZPKLL-QMMMGPOBSA-N 1 2 225.317 1.339 20 0 BDADLO CSc1nccc(C2=C[NH2+]CCC2)n1 ZINC001243947381 985622875 /nfs/dbraw/zinc/62/28/75/985622875.db2.gz JRBDHEHPHGQPJV-UHFFFAOYSA-N 1 2 207.302 1.923 20 0 BDADLO CCOC(=O)c1nccc(C2=C[NH2+]CCC2)n1 ZINC001243949121 985633348 /nfs/dbraw/zinc/63/33/48/985633348.db2.gz ROSKTEVGGGNHGV-UHFFFAOYSA-N 1 2 233.271 1.378 20 0 BDADLO COc1cnc(F)c(C2=C[NH2+]CCC2)c1 ZINC001243949176 985637656 /nfs/dbraw/zinc/63/76/56/985637656.db2.gz KBIAQGLLZNPRLS-UHFFFAOYSA-N 1 2 208.236 1.954 20 0 BDADLO C[S@](=O)c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243951199 985657398 /nfs/dbraw/zinc/65/73/98/985657398.db2.gz FVHKVMIDQPRSRG-HNNXBMFYSA-N 1 2 222.313 1.543 20 0 BDADLO CSCC[C@@H](C)[N@@H+]1CCCC(=O)C1 ZINC001258221432 985658223 /nfs/dbraw/zinc/65/82/23/985658223.db2.gz DTQFHRYCHWKMFZ-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CSCC[C@@H](C)[N@H+]1CCCC(=O)C1 ZINC001258221432 985658233 /nfs/dbraw/zinc/65/82/33/985658233.db2.gz DTQFHRYCHWKMFZ-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](C)Cc1ncccn1 ZINC001460687074 985876445 /nfs/dbraw/zinc/87/64/45/985876445.db2.gz LGUUPQQRKTVQRX-NSHDSACASA-N 1 2 223.320 1.315 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](C)Cc1ncccn1 ZINC001460687074 985876449 /nfs/dbraw/zinc/87/64/49/985876449.db2.gz LGUUPQQRKTVQRX-NSHDSACASA-N 1 2 223.320 1.315 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@@H+]1C[C@@H](O)C1CC1 ZINC001460939191 985949944 /nfs/dbraw/zinc/94/99/44/985949944.db2.gz SIYXSGFROGUDRR-WCBMZHEXSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@H+]1C[C@@H](O)C1CC1 ZINC001460939191 985949956 /nfs/dbraw/zinc/94/99/56/985949956.db2.gz SIYXSGFROGUDRR-WCBMZHEXSA-N 1 2 219.275 1.877 20 0 BDADLO Cc1c[nH+]c(Nc2cnc(N)nc2)c(C)c1 ZINC001212960482 985960897 /nfs/dbraw/zinc/96/08/97/985960897.db2.gz ONLXVWIQSWOBOE-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CCn1c[nH+]cc1CNC(C)(C)c1noc(C)n1 ZINC001461159922 986016067 /nfs/dbraw/zinc/01/60/67/986016067.db2.gz MBZUYDYSCRKGAG-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1scnc1Cl)C2 ZINC001276349434 986049409 /nfs/dbraw/zinc/04/94/09/986049409.db2.gz OYDPLRLWJVIWNM-UHFFFAOYSA-N 1 2 243.763 1.686 20 0 BDADLO C[N@H+]1CCC12CN(Cc1scnc1Cl)C2 ZINC001276349434 986049427 /nfs/dbraw/zinc/04/94/27/986049427.db2.gz OYDPLRLWJVIWNM-UHFFFAOYSA-N 1 2 243.763 1.686 20 0 BDADLO Cc1cn(C)nc1CNc1cc(CO)cc[nH+]1 ZINC001461592109 986094656 /nfs/dbraw/zinc/09/46/56/986094656.db2.gz BHUKYTRPOGKUCM-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H](CC)C[C@@H](C)CC ZINC001258778765 986163065 /nfs/dbraw/zinc/16/30/65/986163065.db2.gz KLSONHNHRPERPS-TUAOUCFPSA-N 1 2 245.363 1.715 20 0 BDADLO CCn1nncc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC001462075907 986274645 /nfs/dbraw/zinc/27/46/45/986274645.db2.gz XYTJANGNKVYCHV-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO CCn1nncc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC001462075907 986274657 /nfs/dbraw/zinc/27/46/57/986274657.db2.gz XYTJANGNKVYCHV-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO COc1cc(-c2ccc[nH+]c2N)ccc1CO ZINC001244667421 986301475 /nfs/dbraw/zinc/30/14/75/986301475.db2.gz VQBQISBRUHMLKU-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO Cc1cn(C)nc1C[NH+]1CC(Cc2ccco2)C1 ZINC001462426373 986382670 /nfs/dbraw/zinc/38/26/70/986382670.db2.gz GSKXYQVSXMXPQO-UHFFFAOYSA-N 1 2 245.326 1.996 20 0 BDADLO CNc1cc(-c2cnc(OC)c(O)c2)cc[nH+]1 ZINC001244848500 986396783 /nfs/dbraw/zinc/39/67/83/986396783.db2.gz SRVNGJNCTTXRMU-UHFFFAOYSA-N 1 2 231.255 1.900 20 0 BDADLO CCCNC(=S)NCCOc1cc[nH+]cc1 ZINC001244925192 986478988 /nfs/dbraw/zinc/47/89/88/986478988.db2.gz MXHRENKPELSQSU-UHFFFAOYSA-N 1 2 239.344 1.335 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)C(F)F ZINC001580119499 986585536 /nfs/dbraw/zinc/58/55/36/986585536.db2.gz TYNZDLBUWLFSPR-RYPBNFRJSA-N 1 2 232.274 1.274 20 0 BDADLO COc1cc(F)ccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001464072730 986606793 /nfs/dbraw/zinc/60/67/93/986606793.db2.gz KXYQLEKYAIJUCN-UHFFFAOYSA-N 1 2 249.245 1.739 20 0 BDADLO Cc1nn(C)c(NC(=O)Cc2[nH]c[nH+]c2C)c1C ZINC001464216587 986621226 /nfs/dbraw/zinc/62/12/26/986621226.db2.gz JBQVQAMPYJPSFR-UHFFFAOYSA-N 1 2 247.302 1.250 20 0 BDADLO CCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097665115 986630503 /nfs/dbraw/zinc/63/05/03/986630503.db2.gz DCFKJAJRNYKISP-MRVPVSSYSA-N 1 2 222.292 1.112 20 0 BDADLO CCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097681497 986637077 /nfs/dbraw/zinc/63/70/77/986637077.db2.gz PWWKATQQAMJUFD-SECBINFHSA-N 1 2 236.319 1.502 20 0 BDADLO Cc1c(CN2CC(C)(O)C2)[nH+]c2ccccn12 ZINC001137267324 986703220 /nfs/dbraw/zinc/70/32/20/986703220.db2.gz VROWKBLPSMPDBV-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1c(CN2C[C@@H]3C[C@H]2CO3)[nH+]c2ccccn21 ZINC001137273214 986713840 /nfs/dbraw/zinc/71/38/40/986713840.db2.gz IHADGQOTPKQYMX-RYUDHWBXSA-N 1 2 243.310 1.616 20 0 BDADLO Cc1cc(NC(=S)NCC(C)C)cc[nH+]1 ZINC001245203015 986726432 /nfs/dbraw/zinc/72/64/32/986726432.db2.gz VGQMYOJMQJZZBL-UHFFFAOYSA-N 1 2 223.345 1.754 20 0 BDADLO [NH3+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001580293059 986736555 /nfs/dbraw/zinc/73/65/55/986736555.db2.gz NAGNHAUEGLAMBG-ZETCQYMHSA-N 1 2 244.232 1.522 20 0 BDADLO [NH3+]CCCCCCNC(=O)[C@H](F)C(F)(F)F ZINC001580293059 986736558 /nfs/dbraw/zinc/73/65/58/986736558.db2.gz NAGNHAUEGLAMBG-ZETCQYMHSA-N 1 2 244.232 1.522 20 0 BDADLO COCn1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001245220284 986745572 /nfs/dbraw/zinc/74/55/72/986745572.db2.gz DGKXDCCEMYHYDJ-UHFFFAOYSA-N 1 2 228.255 1.802 20 0 BDADLO CC[C@]1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001466033440 986765392 /nfs/dbraw/zinc/76/53/92/986765392.db2.gz AFBZFKOTPRBXFL-CYBMUJFWSA-N 1 2 235.331 1.909 20 0 BDADLO Cc1cc(C)c(C[NH+]2CC3(C2)CS(=O)C3)[nH]1 ZINC001137322904 986774846 /nfs/dbraw/zinc/77/48/46/986774846.db2.gz URCLNICYCVOLJO-UHFFFAOYSA-N 1 2 238.356 1.196 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCOCC23CC3)[nH]1 ZINC001137330819 986792327 /nfs/dbraw/zinc/79/23/27/986792327.db2.gz CLUQLQQVXQSGGZ-UHFFFAOYSA-N 1 2 220.316 1.996 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCOCC23CC3)[nH]1 ZINC001137330819 986792346 /nfs/dbraw/zinc/79/23/46/986792346.db2.gz CLUQLQQVXQSGGZ-UHFFFAOYSA-N 1 2 220.316 1.996 20 0 BDADLO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001580371180 986797165 /nfs/dbraw/zinc/79/71/65/986797165.db2.gz MXURKHVABLERFO-QYNIQEEDSA-N 1 2 242.216 1.273 20 0 BDADLO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001580371180 986797175 /nfs/dbraw/zinc/79/71/75/986797175.db2.gz MXURKHVABLERFO-QYNIQEEDSA-N 1 2 242.216 1.273 20 0 BDADLO COC(C[N@H+](C)Cc1n[nH]c2ccccc21)OC ZINC001137349764 986815498 /nfs/dbraw/zinc/81/54/98/986815498.db2.gz JJWJMANQJTUGII-UHFFFAOYSA-N 1 2 249.314 1.614 20 0 BDADLO COC(C[N@@H+](C)Cc1n[nH]c2ccccc21)OC ZINC001137349764 986815506 /nfs/dbraw/zinc/81/55/06/986815506.db2.gz JJWJMANQJTUGII-UHFFFAOYSA-N 1 2 249.314 1.614 20 0 BDADLO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)[nH]1 ZINC001137370369 986835307 /nfs/dbraw/zinc/83/53/07/986835307.db2.gz AUUMPJCALBFEDI-NSHDSACASA-N 1 2 249.358 1.762 20 0 BDADLO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)[nH]1 ZINC001137370369 986835313 /nfs/dbraw/zinc/83/53/13/986835313.db2.gz AUUMPJCALBFEDI-NSHDSACASA-N 1 2 249.358 1.762 20 0 BDADLO CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001467286184 986841211 /nfs/dbraw/zinc/84/12/11/986841211.db2.gz CWTCWVAXFYWZEP-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ncccc1F ZINC001467756360 986866327 /nfs/dbraw/zinc/86/63/27/986866327.db2.gz VXSKECQPCLNTPJ-UHFFFAOYSA-N 1 2 248.261 1.111 20 0 BDADLO CC(=O)Nc1ccc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245516721 986895051 /nfs/dbraw/zinc/89/50/51/986895051.db2.gz YKXGXMYFTIBJIF-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C2CC2)nn1C ZINC001468282097 986897463 /nfs/dbraw/zinc/89/74/63/986897463.db2.gz IFCDCCJMOLIGKU-LLVKDONJSA-N 1 2 248.330 1.330 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C2CC2)nn1C ZINC001468282097 986897466 /nfs/dbraw/zinc/89/74/66/986897466.db2.gz IFCDCCJMOLIGKU-LLVKDONJSA-N 1 2 248.330 1.330 20 0 BDADLO Cc1cc(-c2cc3c(cn2)CC(=O)N3)c[nH+]c1N ZINC001245534966 986907948 /nfs/dbraw/zinc/90/79/48/986907948.db2.gz CBRFLNMWMLIWEQ-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO Cc1cc(-c2ccc(C(N)=O)cn2)c[nH+]c1N ZINC001245535561 986910782 /nfs/dbraw/zinc/91/07/82/986910782.db2.gz DARIITPWJOCXSW-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO Cc1cc(-c2ccc3c(n2)C(=O)NC3)c[nH+]c1N ZINC001245534980 986911659 /nfs/dbraw/zinc/91/16/59/986911659.db2.gz CXYVYCHHNYBZEA-UHFFFAOYSA-N 1 2 240.266 1.278 20 0 BDADLO COC(=O)c1ccnc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245536565 986915214 /nfs/dbraw/zinc/91/52/14/986915214.db2.gz RUFYFOWJCNIHHZ-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1cc(-c2ccncc2N)c[nH+]c1N ZINC001245535955 986916393 /nfs/dbraw/zinc/91/63/93/986916393.db2.gz GDJJUQNYQQTEDV-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO Cc1cc(-c2cnc(F)cn2)c[nH+]c1N ZINC001245537965 986918039 /nfs/dbraw/zinc/91/80/39/986918039.db2.gz ICKNGMSSJJQOPI-UHFFFAOYSA-N 1 2 204.208 1.568 20 0 BDADLO Cc1cc(-c2cccc3c2CNC3=O)c[nH+]c1N ZINC001245537660 986918595 /nfs/dbraw/zinc/91/85/95/986918595.db2.gz UATPKHCCNQBVNM-UHFFFAOYSA-N 1 2 239.278 1.883 20 0 BDADLO CCc1ncc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245539521 986925377 /nfs/dbraw/zinc/92/53/77/986925377.db2.gz VKVKAWQTHMOBQG-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO C[NH2+]C[C@H](C)CNc1[nH+]cccc1C(=O)[O-] ZINC001593797592 986926047 /nfs/dbraw/zinc/92/60/47/986926047.db2.gz RCDJGBANLSLUID-QMMMGPOBSA-N 1 2 223.276 1.047 20 0 BDADLO Cc1cc(-c2ccnc3[nH]cnc32)c[nH+]c1N ZINC001245539170 986927150 /nfs/dbraw/zinc/92/71/50/986927150.db2.gz SWBVEHMXBDCWIS-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cc1cc(-c2cncc(C(N)=O)c2C)c[nH+]c1N ZINC001245539705 986927487 /nfs/dbraw/zinc/92/74/87/986927487.db2.gz XCSNRIRYZGKPPX-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO Cc1cc(-c2cc(F)c(=O)n(C)c2)c[nH+]c1N ZINC001245540143 986928289 /nfs/dbraw/zinc/92/82/89/986928289.db2.gz OYJRTMLWHOGGQK-UHFFFAOYSA-N 1 2 233.246 1.477 20 0 BDADLO COc1cccc(NC(=O)Cn2cc[nH+]c2)c1C ZINC001470122466 987021512 /nfs/dbraw/zinc/02/15/12/987021512.db2.gz HTLNCUOBHGGVBR-UHFFFAOYSA-N 1 2 245.282 1.839 20 0 BDADLO CCc1[nH]c(CNC(=O)CC(C)(C)OC)c[nH+]1 ZINC001472020608 987162078 /nfs/dbraw/zinc/16/20/78/987162078.db2.gz ISNNCDBOCCYDTA-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO CCc1[nH]cc(CNC(=O)CC(C)(C)OC)[nH+]1 ZINC001472020608 987162104 /nfs/dbraw/zinc/16/21/04/987162104.db2.gz ISNNCDBOCCYDTA-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO Cc1nc(NCCN(C)C(=O)C(C)C)cc[nH+]1 ZINC001101518957 987189347 /nfs/dbraw/zinc/18/93/47/987189347.db2.gz LBNGFZPYUMPKQU-UHFFFAOYSA-N 1 2 236.319 1.311 20 0 BDADLO Cc1nc(NCCN(C)C(=O)[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001101492469 987191005 /nfs/dbraw/zinc/19/10/05/987191005.db2.gz FIDJPHYCVRNBFF-MWLCHTKSSA-N 1 2 248.330 1.311 20 0 BDADLO CC(=O)N[C@@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103474958 987245458 /nfs/dbraw/zinc/24/54/58/987245458.db2.gz WGBBAEBEKTUERW-ZDUSSCGKSA-N 1 2 248.330 1.502 20 0 BDADLO CCc1cn(CCn2ccccc2=O)c[nH+]1 ZINC001473086939 987328031 /nfs/dbraw/zinc/32/80/31/987328031.db2.gz DXPSPTVBWBMVAV-UHFFFAOYSA-N 1 2 217.272 1.307 20 0 BDADLO Cn1ccc(-c2nc(Cn3cc[nH+]c3)cs2)n1 ZINC001473232704 987380654 /nfs/dbraw/zinc/38/06/54/987380654.db2.gz PLLLPHZZBIXJLA-UHFFFAOYSA-N 1 2 245.311 1.788 20 0 BDADLO CCc1c(C)nn(CC[NH+]2CCOCC2)c1C ZINC001115861537 987406434 /nfs/dbraw/zinc/40/64/34/987406434.db2.gz FZGAKERYJJJICB-UHFFFAOYSA-N 1 2 237.347 1.395 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001115897951 987411361 /nfs/dbraw/zinc/41/13/61/987411361.db2.gz XDQDATAETPIHSO-KXUCPTDWSA-N 1 2 207.277 1.216 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001473485419 987439763 /nfs/dbraw/zinc/43/97/63/987439763.db2.gz JZSBEUWSEPIYAB-FXPVBKGRSA-N 1 2 241.360 1.956 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@H](C)c2csnn2)C[C@H]1C ZINC001473485419 987439769 /nfs/dbraw/zinc/43/97/69/987439769.db2.gz JZSBEUWSEPIYAB-FXPVBKGRSA-N 1 2 241.360 1.956 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)Cc1nccs1 ZINC001116333442 987521077 /nfs/dbraw/zinc/52/10/77/987521077.db2.gz IULISUGMSMXNRW-HNNXBMFYSA-N 1 2 241.341 1.326 20 0 BDADLO Cc1cc(C[NH+]2CCC(CCCO)CC2)n[nH]1 ZINC001116536490 987621182 /nfs/dbraw/zinc/62/11/82/987621182.db2.gz CLKCNNBFKOHLIG-UHFFFAOYSA-N 1 2 237.347 1.703 20 0 BDADLO COCc1cc(C[N@@H+]2CCC[C@H](OC)C2)no1 ZINC001474367783 987697850 /nfs/dbraw/zinc/69/78/50/987697850.db2.gz ORJZICLNKYDMEL-NSHDSACASA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCC[C@H](OC)C2)no1 ZINC001474367783 987697859 /nfs/dbraw/zinc/69/78/59/987697859.db2.gz ORJZICLNKYDMEL-NSHDSACASA-N 1 2 240.303 1.432 20 0 BDADLO CCCn1c[nH+]cc1CN1CCO[C@@H](CC)C1 ZINC001474413592 987715514 /nfs/dbraw/zinc/71/55/14/987715514.db2.gz PWBAQCJDBWRUNW-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO Cn1c[nH+]cc1CNCc1ncnn1C(C)(C)C ZINC001116918540 987760719 /nfs/dbraw/zinc/76/07/19/987760719.db2.gz CWFJNZSYYXUITB-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO COCc1n[nH]c(C[NH2+]CCSC(C)C)n1 ZINC001474617027 987781528 /nfs/dbraw/zinc/78/15/28/987781528.db2.gz WXUAXQMXECAFEL-UHFFFAOYSA-N 1 2 244.364 1.182 20 0 BDADLO C[NH+](C)Cc1nnc(CCOc2ccccc2)o1 ZINC001117260627 987812711 /nfs/dbraw/zinc/81/27/11/987812711.db2.gz PDNOMVASULHZGG-UHFFFAOYSA-N 1 2 247.298 1.753 20 0 BDADLO C[C@H](C(=O)Nc1ccc(=O)[nH]c1)n1cc[nH+]c1 ZINC001117691349 987865245 /nfs/dbraw/zinc/86/52/45/987865245.db2.gz MDKUFKLIZJXNAR-MRVPVSSYSA-N 1 2 232.243 1.183 20 0 BDADLO C[C@@H](C(=O)NCCCOC(F)F)n1cc[nH+]c1 ZINC001321464816 987915065 /nfs/dbraw/zinc/91/50/65/987915065.db2.gz BMQMSUUOXBXCIV-QMMMGPOBSA-N 1 2 247.245 1.190 20 0 BDADLO C[C@H](C(=O)N(C)CC(F)F)n1cc[nH+]c1 ZINC001321553939 987941150 /nfs/dbraw/zinc/94/11/50/987941150.db2.gz SDOIFSZDQXCXEL-SSDOTTSWSA-N 1 2 217.219 1.168 20 0 BDADLO C[C@@H](C(=O)N(C)CC(F)F)n1cc[nH+]c1 ZINC001321553940 987942410 /nfs/dbraw/zinc/94/24/10/987942410.db2.gz SDOIFSZDQXCXEL-ZETCQYMHSA-N 1 2 217.219 1.168 20 0 BDADLO CC(C)[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001480463637 987968835 /nfs/dbraw/zinc/96/88/35/987968835.db2.gz GPTDAPOSVSGQQC-RQJHMYQMSA-N 1 2 244.232 1.390 20 0 BDADLO CC(C)[NH2+][C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001480463637 987968845 /nfs/dbraw/zinc/96/88/45/987968845.db2.gz GPTDAPOSVSGQQC-RQJHMYQMSA-N 1 2 244.232 1.390 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@@H]1C)n1cc[nH+]c1 ZINC001322398084 988237718 /nfs/dbraw/zinc/23/77/18/988237718.db2.gz UTQOTZHBUJICOE-UWVGGRQHSA-N 1 2 207.277 1.455 20 0 BDADLO CCOCCCc1nnc(C[NH+](C)C)o1 ZINC001322400168 988246591 /nfs/dbraw/zinc/24/65/91/988246591.db2.gz OMQZMICGWBPZHM-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO Cc1ccoc1CC(=O)OCCc1c[nH+]cn1C ZINC001118410526 988325248 /nfs/dbraw/zinc/32/52/48/988325248.db2.gz SABZEVUUHRIQEN-UHFFFAOYSA-N 1 2 248.282 1.650 20 0 BDADLO CC(=O)NC/C=C\C[NH2+][C@H](C)c1ncc(C)o1 ZINC001497512119 988382510 /nfs/dbraw/zinc/38/25/10/988382510.db2.gz MICBOHZMJJPZMJ-UMCURTJPSA-N 1 2 237.303 1.326 20 0 BDADLO CCOC1CC2(C1)CC[N@H+](Cc1nnc[nH]1)C2 ZINC001118564586 988447365 /nfs/dbraw/zinc/44/73/65/988447365.db2.gz QDRMXMNSDMZLCD-UHFFFAOYSA-N 1 2 236.319 1.196 20 0 BDADLO CCOC1CC2(C1)CC[N@@H+](Cc1nnc[nH]1)C2 ZINC001118564586 988447370 /nfs/dbraw/zinc/44/73/70/988447370.db2.gz QDRMXMNSDMZLCD-UHFFFAOYSA-N 1 2 236.319 1.196 20 0 BDADLO C=C/C(C)=C\CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001323288057 988488374 /nfs/dbraw/zinc/48/83/74/988488374.db2.gz WOGNLIOQGMIGAW-MCWZUMHDSA-N 1 2 240.322 1.669 20 0 BDADLO C=C/C(C)=C\CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001323288057 988488379 /nfs/dbraw/zinc/48/83/79/988488379.db2.gz WOGNLIOQGMIGAW-MCWZUMHDSA-N 1 2 240.322 1.669 20 0 BDADLO CC(C)C1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001323666669 988577362 /nfs/dbraw/zinc/57/73/62/988577362.db2.gz BTSLLQYZJZCVTJ-LLVKDONJSA-N 1 2 235.331 1.997 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118782598 988581425 /nfs/dbraw/zinc/58/14/25/988581425.db2.gz UQOYLCMYTRVWQE-GHMZBOCLSA-N 1 2 223.320 1.997 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001323734383 988602551 /nfs/dbraw/zinc/60/25/51/988602551.db2.gz DHJSFHVCEDDRMN-VXGBXAGGSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C2CC(OC(C)C)C2)no1 ZINC001323814944 988620833 /nfs/dbraw/zinc/62/08/33/988620833.db2.gz CLXHMQWHWGTYLN-PUSIOWJLSA-N 1 2 239.319 1.985 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2CCn3c[nH+]cc32)[nH]1 ZINC001118849482 988650622 /nfs/dbraw/zinc/65/06/22/988650622.db2.gz ULLXCGNHUHPJIY-JTQLQIEISA-N 1 2 244.298 1.703 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2C[C@H]3C[C@H]3C2)o1 ZINC001118898512 988677117 /nfs/dbraw/zinc/67/71/17/988677117.db2.gz XHAJOXGLFZAQMK-BRPSZJMVSA-N 1 2 207.277 1.645 20 0 BDADLO C[C@H](F)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001324373597 988805888 /nfs/dbraw/zinc/80/58/88/988805888.db2.gz ODCRADIHHWEXBI-IUCAKERBSA-N 1 2 213.256 1.308 20 0 BDADLO O[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC12CC2 ZINC001119248488 988863082 /nfs/dbraw/zinc/86/30/82/988863082.db2.gz KBOURHHKRWFTTH-LLVKDONJSA-N 1 2 234.299 1.509 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC12CC2 ZINC001119248488 988863084 /nfs/dbraw/zinc/86/30/84/988863084.db2.gz KBOURHHKRWFTTH-LLVKDONJSA-N 1 2 234.299 1.509 20 0 BDADLO [NH3+]Cc1nc(-c2ccc(F)c3c2C(=O)CC3)no1 ZINC001247388105 988873500 /nfs/dbraw/zinc/87/35/00/988873500.db2.gz LZJJXFFITSOLRY-UHFFFAOYSA-N 1 2 247.229 1.463 20 0 BDADLO Cc1nc(C[N@H+](C)CC2CCC(O)CC2)no1 ZINC001324629967 988896617 /nfs/dbraw/zinc/89/66/17/988896617.db2.gz IKJJMIHZOVGUMI-UHFFFAOYSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2CCC(O)CC2)no1 ZINC001324629967 988896619 /nfs/dbraw/zinc/89/66/19/988896619.db2.gz IKJJMIHZOVGUMI-UHFFFAOYSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1cccc(-c2noc([C@H]([NH3+])CO)n2)c1F ZINC001247490811 988896793 /nfs/dbraw/zinc/89/67/93/988896793.db2.gz LVWKPJPUDBRFOM-MRVPVSSYSA-N 1 2 237.234 1.176 20 0 BDADLO COc1cc(C)cc(-c2noc([C@H]([NH3+])CO)n2)c1 ZINC001247491671 988899001 /nfs/dbraw/zinc/89/90/01/988899001.db2.gz RQYKWCZZFZWLQF-SNVBAGLBSA-N 1 2 249.270 1.046 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])CO)n2)c(F)c1 ZINC001247614235 988946573 /nfs/dbraw/zinc/94/65/73/988946573.db2.gz YEECLUNAHGEEGD-VIFPVBQESA-N 1 2 237.234 1.176 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)cc1C ZINC001247617052 988950701 /nfs/dbraw/zinc/95/07/01/988950701.db2.gz HKGNRELFQNKCLI-KOLCDFICSA-N 1 2 247.298 1.734 20 0 BDADLO CC(C)(C)[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001515101779 988988988 /nfs/dbraw/zinc/98/89/88/988988988.db2.gz USWLRCFLBBUPPL-SNVBAGLBSA-N 1 2 221.304 1.599 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(C)(C)C1(C)C ZINC001324860410 989006916 /nfs/dbraw/zinc/00/69/16/989006916.db2.gz OBGSENAKQFOOOS-UHFFFAOYSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1n[nH]c(C[NH2+][C@H](C)c2ncnn2C)c1C ZINC001119376324 989020282 /nfs/dbraw/zinc/02/02/82/989020282.db2.gz OPRQLMLTRPGSFZ-SECBINFHSA-N 1 2 234.307 1.006 20 0 BDADLO C[C@H](C(=O)N1CC(C)(F)C1)n1cc[nH+]c1 ZINC001324967025 989034356 /nfs/dbraw/zinc/03/43/56/989034356.db2.gz OXTPJAVUOLEODI-MRVPVSSYSA-N 1 2 211.240 1.015 20 0 BDADLO CCc1ccc(N2C[C@H](C(N)=O)CC[C@H]2C)[nH+]c1 ZINC001515361510 989037875 /nfs/dbraw/zinc/03/78/75/989037875.db2.gz GXRNUSRKNREPCT-ZYHUDNBSSA-N 1 2 247.342 1.734 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2C[C@@H](C)CO2)cc(C)[nH+]1 ZINC001119476115 989094453 /nfs/dbraw/zinc/09/44/53/989094453.db2.gz WXDYBXRMZUVGSM-NOZJJQNGSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1cc(C[NH+]2CC(N3CC(F)C3)C2)cs1 ZINC001248800906 989144716 /nfs/dbraw/zinc/14/47/16/989144716.db2.gz QXDYHVBCONHTAF-UHFFFAOYSA-N 1 2 240.347 1.894 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1csc(C)c1 ZINC001248804830 989160825 /nfs/dbraw/zinc/16/08/25/989160825.db2.gz WVVIHZYANMHRHO-GFCCVEGCSA-N 1 2 241.356 1.904 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1csc(C)c1 ZINC001248804830 989160834 /nfs/dbraw/zinc/16/08/34/989160834.db2.gz WVVIHZYANMHRHO-GFCCVEGCSA-N 1 2 241.356 1.904 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248821049 989178050 /nfs/dbraw/zinc/17/80/50/989178050.db2.gz MIFIPRIKPPWPAI-LLVKDONJSA-N 1 2 232.327 1.988 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc2n1CCC2 ZINC001248821049 989178052 /nfs/dbraw/zinc/17/80/52/989178052.db2.gz MIFIPRIKPPWPAI-LLVKDONJSA-N 1 2 232.327 1.988 20 0 BDADLO CCOC1C[NH+](Cc2ccc3n2CCC3)C1 ZINC001248820739 989180341 /nfs/dbraw/zinc/18/03/41/989180341.db2.gz APIFKNJBAZSNMY-UHFFFAOYSA-N 1 2 220.316 1.655 20 0 BDADLO Cc1ccc2[nH]c(C[NH+]3CCC(O)CC3)nc2c1 ZINC001248839650 989190066 /nfs/dbraw/zinc/19/00/66/989190066.db2.gz RIICXBFSURUHOC-UHFFFAOYSA-N 1 2 245.326 1.828 20 0 BDADLO Cc1ccc2nc(C[NH+]3CCC(O)CC3)[nH]c2c1 ZINC001248839650 989190075 /nfs/dbraw/zinc/19/00/75/989190075.db2.gz RIICXBFSURUHOC-UHFFFAOYSA-N 1 2 245.326 1.828 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2ccncc2)o1 ZINC001325780909 989257451 /nfs/dbraw/zinc/25/74/51/989257451.db2.gz ZNBATFJAAWUGIM-UHFFFAOYSA-N 1 2 218.260 1.117 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)ns1 ZINC001249567178 989305069 /nfs/dbraw/zinc/30/50/69/989305069.db2.gz AYGIBGZQYXPASA-JTQLQIEISA-N 1 2 212.318 1.408 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](O)C2)ns1 ZINC001249567178 989305077 /nfs/dbraw/zinc/30/50/77/989305077.db2.gz AYGIBGZQYXPASA-JTQLQIEISA-N 1 2 212.318 1.408 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C)sn2)C1 ZINC001249571679 989313040 /nfs/dbraw/zinc/31/30/40/989313040.db2.gz SUSFMFDBBMWFOR-SNVBAGLBSA-N 1 2 212.318 1.672 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C)sn2)C1 ZINC001249571679 989313046 /nfs/dbraw/zinc/31/30/46/989313046.db2.gz SUSFMFDBBMWFOR-SNVBAGLBSA-N 1 2 212.318 1.672 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)s1 ZINC001119685386 989321196 /nfs/dbraw/zinc/32/11/96/989321196.db2.gz OGMAFCIIIVCLSX-ZJUUUORDSA-N 1 2 239.344 1.539 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)s1 ZINC001119685386 989321204 /nfs/dbraw/zinc/32/12/04/989321204.db2.gz OGMAFCIIIVCLSX-ZJUUUORDSA-N 1 2 239.344 1.539 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2cc(C)sn2)C1 ZINC001249592415 989323063 /nfs/dbraw/zinc/32/30/63/989323063.db2.gz NKIDIAVYFRTMBF-JTQLQIEISA-N 1 2 224.329 1.862 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2cc(C)sn2)C1 ZINC001249592415 989323064 /nfs/dbraw/zinc/32/30/64/989323064.db2.gz NKIDIAVYFRTMBF-JTQLQIEISA-N 1 2 224.329 1.862 20 0 BDADLO CC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001518831907 989345414 /nfs/dbraw/zinc/34/54/14/989345414.db2.gz FMHNNLJGKWPCHJ-UHFFFAOYSA-N 1 2 208.261 1.325 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOC1CC1)C(=O)OC ZINC001119732871 989376706 /nfs/dbraw/zinc/37/67/06/989376706.db2.gz QPUKCDKXYCQUCV-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC[C@H](F)C1 ZINC001326184850 989411547 /nfs/dbraw/zinc/41/15/47/989411547.db2.gz TZUCNDJQTZYGSZ-MNOVXSKESA-N 1 2 240.278 1.955 20 0 BDADLO CC[C@@H](CCO)CNc1cc(N(C)C)nc[nH+]1 ZINC001119942371 989492210 /nfs/dbraw/zinc/49/22/10/989492210.db2.gz ALRXPWIYTBKUNU-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO CC[C@@H](CCO)CNc1cc(N(C)C)[nH+]cn1 ZINC001119942371 989492219 /nfs/dbraw/zinc/49/22/19/989492219.db2.gz ALRXPWIYTBKUNU-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001119984480 989542192 /nfs/dbraw/zinc/54/21/92/989542192.db2.gz VNNOAVDBMLPGHF-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001119984480 989542197 /nfs/dbraw/zinc/54/21/97/989542197.db2.gz VNNOAVDBMLPGHF-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC001520442406 989561727 /nfs/dbraw/zinc/56/17/27/989561727.db2.gz PMNLHWNMFFNVOL-APPZFPTMSA-N 1 2 244.241 1.847 20 0 BDADLO CCc1cc(N(CCCO)C2CC2)nc(CC)[nH+]1 ZINC001120028229 989567924 /nfs/dbraw/zinc/56/79/24/989567924.db2.gz YTPLNSHNNVFTMR-UHFFFAOYSA-N 1 2 249.358 1.953 20 0 BDADLO CO[C@H]1CC[C@@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC001120037761 989570845 /nfs/dbraw/zinc/57/08/45/989570845.db2.gz KJFDGCBIAVIKSD-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@H]1CC[C@@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC001120037761 989570852 /nfs/dbraw/zinc/57/08/52/989570852.db2.gz KJFDGCBIAVIKSD-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO CCN(OC)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001520702292 989592628 /nfs/dbraw/zinc/59/26/28/989592628.db2.gz YIGJQKXQYUUAOF-LLVKDONJSA-N 1 2 239.319 1.880 20 0 BDADLO Cc1cc(NC(=O)CC[NH2+]CC(F)F)no1 ZINC001120489422 989677085 /nfs/dbraw/zinc/67/70/85/989677085.db2.gz RTTHUAQWPZFDBI-UHFFFAOYSA-N 1 2 233.218 1.166 20 0 BDADLO CC[C@@H](F)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001120603325 989777855 /nfs/dbraw/zinc/77/78/55/989777855.db2.gz CUDJBGSEQPOSSI-SECBINFHSA-N 1 2 211.240 1.015 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001522034038 989826542 /nfs/dbraw/zinc/82/65/42/989826542.db2.gz IMWCZSSTFLMJQL-BXUZGUMPSA-N 1 2 247.342 1.659 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)cc(C)n1 ZINC001120693681 989833977 /nfs/dbraw/zinc/83/39/77/989833977.db2.gz NTFWYZCRDZZEHD-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO CCc1ccc(N2C[C@@H]3COC[C@@H]3C2)[nH+]c1 ZINC001120927784 989976085 /nfs/dbraw/zinc/97/60/85/989976085.db2.gz DGUGBWXMKFRJMA-TXEJJXNPSA-N 1 2 218.300 1.727 20 0 BDADLO Cc1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)ccc2[nH+]1 ZINC001120973858 989994327 /nfs/dbraw/zinc/99/43/27/989994327.db2.gz GLOXPQBTTVGXDU-ZJUUUORDSA-N 1 2 233.246 1.939 20 0 BDADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)C1CCC1 ZINC001524815883 990014548 /nfs/dbraw/zinc/01/45/48/990014548.db2.gz DWRSTYPUXSBBRS-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)OCc1cccc2[nH+]ccn21 ZINC001524992997 990024211 /nfs/dbraw/zinc/02/42/11/990024211.db2.gz FTSVACFPMZFHJO-GHMZBOCLSA-N 1 2 246.266 1.412 20 0 BDADLO CC[C@H](F)C(=O)OCCn1cc[nH+]c1 ZINC001525469124 990052111 /nfs/dbraw/zinc/05/21/11/990052111.db2.gz UUPHDKBNQDFDFG-QMMMGPOBSA-N 1 2 200.213 1.174 20 0 BDADLO COc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)nc1 ZINC001122038058 990205368 /nfs/dbraw/zinc/20/53/68/990205368.db2.gz URSCCAVEKPIIBK-SSDOTTSWSA-N 1 2 245.229 1.011 20 0 BDADLO C[C@@H]([NH3+])CONC(=O)[C@@]1(C)CCc2ccccc21 ZINC001122074915 990222673 /nfs/dbraw/zinc/22/26/73/990222673.db2.gz GXISFGHDJPPOHW-YGRLFVJLSA-N 1 2 248.326 1.286 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2=CCCC2)c1 ZINC001527793480 990245052 /nfs/dbraw/zinc/24/50/52/990245052.db2.gz DFIQKFCFUFBIEN-UHFFFAOYSA-N 1 2 219.288 1.189 20 0 BDADLO CC(C)C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001528017603 990257087 /nfs/dbraw/zinc/25/70/87/990257087.db2.gz RLCYHNLUVDERFZ-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1ccc(CC(=O)NCCc2cn(C)c[nH+]2)o1 ZINC001528213814 990277244 /nfs/dbraw/zinc/27/72/44/990277244.db2.gz WPIZLLQNMVJYJC-UHFFFAOYSA-N 1 2 247.298 1.223 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC2(CCC2)C1 ZINC001528259261 990279028 /nfs/dbraw/zinc/27/90/28/990279028.db2.gz FMXURSCXDBHRQF-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC12CCC2 ZINC001528762956 990314105 /nfs/dbraw/zinc/31/41/05/990314105.db2.gz AEPNHNRCKCOZSX-SNVBAGLBSA-N 1 2 233.315 1.412 20 0 BDADLO CCC(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC001528910816 990318597 /nfs/dbraw/zinc/31/85/97/990318597.db2.gz VAXIWBOXIIGXKB-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO Cc1n[nH]c(C)c1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001528910758 990319964 /nfs/dbraw/zinc/31/99/64/990319964.db2.gz QWAANMNFCBTUAU-JTQLQIEISA-N 1 2 247.302 1.100 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCC(F)F ZINC001529333681 990345698 /nfs/dbraw/zinc/34/56/98/990345698.db2.gz SUVWPRHLGOUCLE-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO C/C(=C/C(=O)NCc1c[nH+]cn1C)c1ccco1 ZINC001532593110 990413235 /nfs/dbraw/zinc/41/32/35/990413235.db2.gz RWMBYFSDILPCQG-POHAHGRESA-N 1 2 245.282 1.733 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@]1(C)C=CCC1 ZINC001122755371 990443582 /nfs/dbraw/zinc/44/35/82/990443582.db2.gz BNPWQHOSGBUVTP-LBPRGKRZSA-N 1 2 220.272 1.820 20 0 BDADLO Cc1ccoc1CC(=O)Nc1cc[nH+]c(C)c1 ZINC001535594248 990474090 /nfs/dbraw/zinc/47/40/90/990474090.db2.gz VJLZKQSDKGJBIK-UHFFFAOYSA-N 1 2 230.267 1.895 20 0 BDADLO C[C@H](CC(=O)OCC1CSC1)n1cc[nH+]c1 ZINC001123035931 990494920 /nfs/dbraw/zinc/49/49/20/990494920.db2.gz ZXIGUAMDYRPPHD-SECBINFHSA-N 1 2 240.328 1.740 20 0 BDADLO COc1cccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001538906953 990547438 /nfs/dbraw/zinc/54/74/38/990547438.db2.gz GFETZLNRFYPVHR-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO CCn1c[nH+]cc1COC(=O)COC(F)F ZINC001123471761 990591355 /nfs/dbraw/zinc/59/13/55/990591355.db2.gz ASKOIMNGESGSEI-UHFFFAOYSA-N 1 2 234.202 1.185 20 0 BDADLO CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001123573994 990618708 /nfs/dbraw/zinc/61/87/08/990618708.db2.gz UITKRYASFBLNPQ-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1F ZINC001123759770 990661231 /nfs/dbraw/zinc/66/12/31/990661231.db2.gz GNVPZCLWZJJKKT-NXEZZACHSA-N 1 2 225.267 1.090 20 0 BDADLO C[NH+](C)C(C)(C)C[NH2+]C1CC(CC(=O)[O-])C1 ZINC001598165374 990680287 /nfs/dbraw/zinc/68/02/87/990680287.db2.gz NLQRXKMWKDBAHO-UHFFFAOYSA-N 1 2 228.336 1.170 20 0 BDADLO CC(C)=CCNC(=O)CCc1[nH+]ccn1C ZINC001123841720 990682703 /nfs/dbraw/zinc/68/27/03/990682703.db2.gz KYXLBZIWHQDPBE-UHFFFAOYSA-N 1 2 221.304 1.435 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccncc1 ZINC001543414322 990690790 /nfs/dbraw/zinc/69/07/90/990690790.db2.gz ZFUAKLNIRWFXMV-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CCC(F)(F)CNC(=O)CCc1[nH+]ccn1C ZINC001123939892 990712091 /nfs/dbraw/zinc/71/20/91/990712091.db2.gz MWTCWNPZCAUEPD-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC001544558233 990727310 /nfs/dbraw/zinc/72/73/10/990727310.db2.gz YDDRNBAFXLNULO-UWVGGRQHSA-N 1 2 235.331 1.908 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC(F)F ZINC001124111637 990753661 /nfs/dbraw/zinc/75/36/61/990753661.db2.gz JVVJPIMNYWKSHO-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H]3C[C@]3(O)C2)[nH+]1 ZINC001548521017 990768052 /nfs/dbraw/zinc/76/80/52/990768052.db2.gz SFWMREXILTWXBR-KWQFWETISA-N 1 2 208.236 1.100 20 0 BDADLO CC[C@@](C)(CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001556693759 990844031 /nfs/dbraw/zinc/84/40/31/990844031.db2.gz CGILRLSUCHVGGW-LBPRGKRZSA-N 1 2 239.319 1.192 20 0 BDADLO CC[C@H](C)CN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000829626986 990865598 /nfs/dbraw/zinc/86/55/98/990865598.db2.gz SCCXZFGIOIFEIC-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO c1cn(Cc2nnc(C3CCC3)o2)c[nH+]1 ZINC000117871863 990886089 /nfs/dbraw/zinc/88/60/89/990886089.db2.gz YTFKJRPZEYVZJG-UHFFFAOYSA-N 1 2 204.233 1.582 20 0 BDADLO Oc1cc(O)cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001138325090 990919052 /nfs/dbraw/zinc/91/90/52/990919052.db2.gz GAUFQQQFXQZVSH-TVYUQYBPSA-N 1 2 237.274 1.888 20 0 BDADLO Oc1cc(O)cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001138325090 990919059 /nfs/dbraw/zinc/91/90/59/990919059.db2.gz GAUFQQQFXQZVSH-TVYUQYBPSA-N 1 2 237.274 1.888 20 0 BDADLO O=C1CC[N@H+](Cc2ncccc2O)CC[C@H]1F ZINC001138391750 990927488 /nfs/dbraw/zinc/92/74/88/990927488.db2.gz VUIHRIJEIXVNQT-SECBINFHSA-N 1 2 238.262 1.290 20 0 BDADLO O=C1CC[N@@H+](Cc2ncccc2O)CC[C@H]1F ZINC001138391750 990927494 /nfs/dbraw/zinc/92/74/94/990927494.db2.gz VUIHRIJEIXVNQT-SECBINFHSA-N 1 2 238.262 1.290 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NCc1cc(C2CC2)no1 ZINC001558273652 990930645 /nfs/dbraw/zinc/93/06/45/990930645.db2.gz MVRZNWZHWIRPLQ-GFCCVEGCSA-N 1 2 249.314 1.262 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NCc1cc(C2CC2)no1 ZINC001558273652 990930652 /nfs/dbraw/zinc/93/06/52/990930652.db2.gz MVRZNWZHWIRPLQ-GFCCVEGCSA-N 1 2 249.314 1.262 20 0 BDADLO O=c1ccc(CNc2cccc[nH+]2)c[nH]1 ZINC000083343608 990946914 /nfs/dbraw/zinc/94/69/14/990946914.db2.gz HMCGUPYDALNVHR-UHFFFAOYSA-N 1 2 201.229 1.382 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2C[C@H](C)CO2)c[nH+]1 ZINC001558498108 990953245 /nfs/dbraw/zinc/95/32/45/990953245.db2.gz OIQCHZIKFICSGU-WPRPVWTQSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2C[C@H](C)CO2)[nH+]1 ZINC001558498108 990953250 /nfs/dbraw/zinc/95/32/50/990953250.db2.gz OIQCHZIKFICSGU-WPRPVWTQSA-N 1 2 237.303 1.013 20 0 BDADLO Cc1ccc(C[NH2+][C@H](CCO)c2ccco2)nn1 ZINC001308380796 990978330 /nfs/dbraw/zinc/97/83/30/990978330.db2.gz MGAWUGHJTQTKJM-GFCCVEGCSA-N 1 2 247.298 1.591 20 0 BDADLO Cn1cc(Cl)c(C[NH2+]CC(C)(C)F)n1 ZINC001308485323 991006366 /nfs/dbraw/zinc/00/63/66/991006366.db2.gz OZGVULAIEZAHNF-UHFFFAOYSA-N 1 2 219.691 1.911 20 0 BDADLO CN1CC2(C1)C[NH+](Cc1cnc3[nH]ccc3c1)C2 ZINC001138744424 991029201 /nfs/dbraw/zinc/02/92/01/991029201.db2.gz UUCJDECWMHGJEJ-UHFFFAOYSA-N 1 2 242.326 1.310 20 0 BDADLO COCc1cc(C[N@@H+]2CCCOC[C@H]2C)no1 ZINC001308574661 991046881 /nfs/dbraw/zinc/04/68/81/991046881.db2.gz XOVHWFWNAUHGQZ-SNVBAGLBSA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCCOC[C@H]2C)no1 ZINC001308574661 991046887 /nfs/dbraw/zinc/04/68/87/991046887.db2.gz XOVHWFWNAUHGQZ-SNVBAGLBSA-N 1 2 240.303 1.432 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCC3)C2)nn1C ZINC001138827862 991079088 /nfs/dbraw/zinc/07/90/88/991079088.db2.gz IZACNBCZYIGMTL-UHFFFAOYSA-N 1 2 205.305 1.714 20 0 BDADLO COCC[N@H+](C)Cc1cc(F)cnc1Cl ZINC001138888473 991091601 /nfs/dbraw/zinc/09/16/01/991091601.db2.gz FGWDZEPSVVOULX-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COCC[N@@H+](C)Cc1cc(F)cnc1Cl ZINC001138888473 991091611 /nfs/dbraw/zinc/09/16/11/991091611.db2.gz FGWDZEPSVVOULX-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO CC(=O)OC1C[NH+]([C@H](C)Cc2ccco2)C1 ZINC001258191521 991100598 /nfs/dbraw/zinc/10/05/98/991100598.db2.gz BSGULJIJABMEIF-SECBINFHSA-N 1 2 223.272 1.458 20 0 BDADLO CCNc1ccccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001308778670 991131312 /nfs/dbraw/zinc/13/13/12/991131312.db2.gz XYJUIGYOKJWQKQ-NSHDSACASA-N 1 2 247.342 1.439 20 0 BDADLO CCNc1ccccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001308778670 991131325 /nfs/dbraw/zinc/13/13/25/991131325.db2.gz XYJUIGYOKJWQKQ-NSHDSACASA-N 1 2 247.342 1.439 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001139099683 991146413 /nfs/dbraw/zinc/14/64/13/991146413.db2.gz HXRYIRNSTNQKAG-GHMZBOCLSA-N 1 2 221.304 1.390 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001139099683 991146423 /nfs/dbraw/zinc/14/64/23/991146423.db2.gz HXRYIRNSTNQKAG-GHMZBOCLSA-N 1 2 221.304 1.390 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CCC[C@H]1C(C)=O ZINC001139143963 991164306 /nfs/dbraw/zinc/16/43/06/991164306.db2.gz HSKPDMZGQDPGOJ-ZDUSSCGKSA-N 1 2 249.310 1.954 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CCC[C@H]1C(C)=O ZINC001139143963 991164319 /nfs/dbraw/zinc/16/43/19/991164319.db2.gz HSKPDMZGQDPGOJ-ZDUSSCGKSA-N 1 2 249.310 1.954 20 0 BDADLO CC[NH+](CC)Cc1c(N)ncnc1Cl ZINC001139435404 991236942 /nfs/dbraw/zinc/23/69/42/991236942.db2.gz MFBSMODHWDFJTO-UHFFFAOYSA-N 1 2 214.700 1.554 20 0 BDADLO CCOc1ccncc1C[NH+]1CC2(CC(O)C2)C1 ZINC001139627334 991302869 /nfs/dbraw/zinc/30/28/69/991302869.db2.gz NQZCXGZMDJUBHF-UHFFFAOYSA-N 1 2 248.326 1.437 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1N)c1ccn(C)n1 ZINC001559900368 991310747 /nfs/dbraw/zinc/31/07/47/991310747.db2.gz ZNFQCIASDGFYOS-VIFPVBQESA-N 1 2 231.303 1.248 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC001139711755 991329864 /nfs/dbraw/zinc/32/98/64/991329864.db2.gz KDSRYPZFJKQHHX-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(O)cc(C)c1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC001139711755 991329871 /nfs/dbraw/zinc/32/98/71/991329871.db2.gz KDSRYPZFJKQHHX-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cnc(CN2CCn3c[nH+]cc3C2)s1 ZINC001139814110 991374573 /nfs/dbraw/zinc/37/45/73/991374573.db2.gz XGYKIVVMGZMLEZ-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO C[N@H+](Cc1ccnc(F)c1)C1(C)COC1 ZINC001139834435 991391654 /nfs/dbraw/zinc/39/16/54/991391654.db2.gz ISGYFTYKTCXTLF-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO C[N@@H+](Cc1ccnc(F)c1)C1(C)COC1 ZINC001139834435 991391660 /nfs/dbraw/zinc/39/16/60/991391660.db2.gz ISGYFTYKTCXTLF-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO Cn1ncc2cc(C[NH+]3CCOCC3)ccc21 ZINC001139945871 991427406 /nfs/dbraw/zinc/42/74/06/991427406.db2.gz LXTDZVOZTIEBNU-UHFFFAOYSA-N 1 2 231.299 1.406 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001560239883 991435285 /nfs/dbraw/zinc/43/52/85/991435285.db2.gz MDYOIESGNHZHFD-ZDUSSCGKSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCc2cc(O)ccc2C1 ZINC001560239883 991435289 /nfs/dbraw/zinc/43/52/89/991435289.db2.gz MDYOIESGNHZHFD-ZDUSSCGKSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccnnc1)C2 ZINC001139984982 991459620 /nfs/dbraw/zinc/45/96/20/991459620.db2.gz GGHWBOSXVMGBKB-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccnnc1)C2 ZINC001139984982 991459626 /nfs/dbraw/zinc/45/96/26/991459626.db2.gz GGHWBOSXVMGBKB-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)cnn1 ZINC001139985010 991463103 /nfs/dbraw/zinc/46/31/03/991463103.db2.gz HFEWVYVRNFZHIT-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CC2)cnn1 ZINC001139985010 991463108 /nfs/dbraw/zinc/46/31/08/991463108.db2.gz HFEWVYVRNFZHIT-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139986624 991464323 /nfs/dbraw/zinc/46/43/23/991464323.db2.gz AVUQZDPHEWGECM-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)nc1 ZINC001139986624 991464333 /nfs/dbraw/zinc/46/43/33/991464333.db2.gz AVUQZDPHEWGECM-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnnc2)[C@@H](C)CO1 ZINC001139986172 991466670 /nfs/dbraw/zinc/46/66/70/991466670.db2.gz BQWWKTOCYCUWNI-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnnc2)[C@@H](C)CO1 ZINC001139986172 991466677 /nfs/dbraw/zinc/46/66/77/991466677.db2.gz BQWWKTOCYCUWNI-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO CN(C)c1cccc(C[NH2+]Cc2nccs2)n1 ZINC001560404416 991469255 /nfs/dbraw/zinc/46/92/55/991469255.db2.gz VCCFWHCUSUIARF-UHFFFAOYSA-N 1 2 248.355 1.894 20 0 BDADLO CCCc1ncc(C[NH2+]Cc2ccnn2C)o1 ZINC001560471878 991483777 /nfs/dbraw/zinc/48/37/77/991483777.db2.gz ZVZKGTHSNZESBY-UHFFFAOYSA-N 1 2 234.303 1.650 20 0 BDADLO CCn1nnc(C)c1C[NH2+]Cc1cnc(C)o1 ZINC001560501510 991485767 /nfs/dbraw/zinc/48/57/67/991485767.db2.gz JZGIBSVJEFLMHY-UHFFFAOYSA-N 1 2 235.291 1.193 20 0 BDADLO CNc1nccc(C[N@@H+]2CCCC[C@H](F)C2)n1 ZINC001140040492 991493999 /nfs/dbraw/zinc/49/39/99/991493999.db2.gz LDYYZINMXKBRHC-JTQLQIEISA-N 1 2 238.310 1.842 20 0 BDADLO CNc1nccc(C[N@H+]2CCCC[C@H](F)C2)n1 ZINC001140040492 991494004 /nfs/dbraw/zinc/49/40/04/991494004.db2.gz LDYYZINMXKBRHC-JTQLQIEISA-N 1 2 238.310 1.842 20 0 BDADLO COc1ccc2[nH]nc(C[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC001140065126 991518449 /nfs/dbraw/zinc/51/84/49/991518449.db2.gz ABYUOFKJTLOYAY-SECBINFHSA-N 1 2 247.298 1.138 20 0 BDADLO COc1ccc2[nH]nc(C[N@H+]3CC[C@@H](O)C3)c2c1 ZINC001140065126 991518458 /nfs/dbraw/zinc/51/84/58/991518458.db2.gz ABYUOFKJTLOYAY-SECBINFHSA-N 1 2 247.298 1.138 20 0 BDADLO Oc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(F)c1 ZINC001140124404 991527555 /nfs/dbraw/zinc/52/75/55/991527555.db2.gz AZYXRAILZOITER-UHFFFAOYSA-N 1 2 237.274 1.488 20 0 BDADLO Oc1ccc(CN2CCn3c[nH+]cc3C2)c(F)c1 ZINC001140128942 991529310 /nfs/dbraw/zinc/52/93/10/991529310.db2.gz KUNFJKDTYHDSHI-UHFFFAOYSA-N 1 2 247.273 1.744 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cc[nH]n1 ZINC001560701578 991565129 /nfs/dbraw/zinc/56/51/29/991565129.db2.gz CQRURXXJGRDQNW-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@]1(C)CCCCO1 ZINC001560716877 991571834 /nfs/dbraw/zinc/57/18/34/991571834.db2.gz SDFDWHHKAUEXCR-LBPRGKRZSA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@]1(C)CCCCO1 ZINC001560716877 991571848 /nfs/dbraw/zinc/57/18/48/991571848.db2.gz SDFDWHHKAUEXCR-LBPRGKRZSA-N 1 2 229.320 1.441 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@H](C)Cc2cccnc2)CCO1 ZINC001258633647 991578093 /nfs/dbraw/zinc/57/80/93/991578093.db2.gz XQWAEKCTAUAZCH-BXUZGUMPSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2cccnc2)CCO1 ZINC001258633647 991578101 /nfs/dbraw/zinc/57/81/01/991578101.db2.gz XQWAEKCTAUAZCH-BXUZGUMPSA-N 1 2 248.326 1.302 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2O)CCC1=O ZINC001140274958 991579645 /nfs/dbraw/zinc/57/96/45/991579645.db2.gz JHILYWDAHCDDDM-VIFPVBQESA-N 1 2 220.272 1.198 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2O)CCC1=O ZINC001140274958 991579656 /nfs/dbraw/zinc/57/96/56/991579656.db2.gz JHILYWDAHCDDDM-VIFPVBQESA-N 1 2 220.272 1.198 20 0 BDADLO C[N@H+](Cc1cnccn1)Cc1ccncc1O ZINC001140277377 991585086 /nfs/dbraw/zinc/58/50/86/991585086.db2.gz XDOIMGLVRFVGAT-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1cnccn1)Cc1ccncc1O ZINC001140277377 991585095 /nfs/dbraw/zinc/58/50/95/991585095.db2.gz XDOIMGLVRFVGAT-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncn2)CCCC1=O ZINC001140347146 991617780 /nfs/dbraw/zinc/61/77/80/991617780.db2.gz XZEGZIZEYDLSCR-SNVBAGLBSA-N 1 2 219.288 1.278 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncn2)CCCC1=O ZINC001140347146 991617786 /nfs/dbraw/zinc/61/77/86/991617786.db2.gz XZEGZIZEYDLSCR-SNVBAGLBSA-N 1 2 219.288 1.278 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)Cc2ccno2)no1 ZINC001560862425 991628496 /nfs/dbraw/zinc/62/84/96/991628496.db2.gz NXLHVWJWFBUKQD-YUMQZZPRSA-N 1 2 236.275 1.648 20 0 BDADLO C[C@@H](CC(=O)NCC1C[NH+](CCF)C1)C1CC1 ZINC001318176716 991630373 /nfs/dbraw/zinc/63/03/73/991630373.db2.gz POCGAGAVNMVHDK-JTQLQIEISA-N 1 2 242.338 1.440 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC12CCCCC2 ZINC001140469583 991646612 /nfs/dbraw/zinc/64/66/12/991646612.db2.gz URBCOSDPONNZGH-UHFFFAOYSA-N 1 2 249.314 1.796 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC12CCCCC2 ZINC001140469583 991646616 /nfs/dbraw/zinc/64/66/16/991646616.db2.gz URBCOSDPONNZGH-UHFFFAOYSA-N 1 2 249.314 1.796 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCc2occc2C1 ZINC001140473342 991650678 /nfs/dbraw/zinc/65/06/78/991650678.db2.gz XJZAMSMURBHDRN-UHFFFAOYSA-N 1 2 247.254 1.039 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCc2occc2C1 ZINC001140473342 991650682 /nfs/dbraw/zinc/65/06/82/991650682.db2.gz XJZAMSMURBHDRN-UHFFFAOYSA-N 1 2 247.254 1.039 20 0 BDADLO C[C@H](C(=O)NCC1(C)CC1)n1cc[nH+]c1 ZINC001318989888 991759808 /nfs/dbraw/zinc/75/98/08/991759808.db2.gz LTMOECFUKZVVJK-SECBINFHSA-N 1 2 207.277 1.360 20 0 BDADLO CCC[C@@H](OC)C(=O)NCc1[nH]c[nH+]c1C ZINC001566188696 991828922 /nfs/dbraw/zinc/82/89/22/991828922.db2.gz FQDQWJWRQGBIDA-SNVBAGLBSA-N 1 2 225.292 1.149 20 0 BDADLO C[C@@H](C(=O)N1CCCOC[C@@H]1C)n1cc[nH+]c1 ZINC001319338498 991842675 /nfs/dbraw/zinc/84/26/75/991842675.db2.gz YBMZNKPMFIXBEQ-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CCc1ncc(NC(=O)[C@H](C)n2cc[nH+]c2)cn1 ZINC001319371317 991852214 /nfs/dbraw/zinc/85/22/14/991852214.db2.gz WVJMQJOSKBUXNB-VIFPVBQESA-N 1 2 245.286 1.435 20 0 BDADLO Cc1nc(N2CC[C@@H]3OCCC[C@H]3C2)cc[nH+]1 ZINC001319433692 991867247 /nfs/dbraw/zinc/86/72/47/991867247.db2.gz MXTZKWLDUQNSQQ-RYUDHWBXSA-N 1 2 233.315 1.790 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1c(C)cccc1O ZINC001566777495 991878037 /nfs/dbraw/zinc/87/80/37/991878037.db2.gz BHMHMKMXYWRIMH-JTQLQIEISA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1c(C)cccc1O ZINC001566777495 991878042 /nfs/dbraw/zinc/87/80/42/991878042.db2.gz BHMHMKMXYWRIMH-JTQLQIEISA-N 1 2 234.299 1.733 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)[nH]n1 ZINC001319706084 991944611 /nfs/dbraw/zinc/94/46/11/991944611.db2.gz UWTZBRJHPXZLMT-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)[nH]n1 ZINC001319706084 991944627 /nfs/dbraw/zinc/94/46/27/991944627.db2.gz UWTZBRJHPXZLMT-SNVBAGLBSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCc2cnccn2)o1 ZINC001319742912 991958673 /nfs/dbraw/zinc/95/86/73/991958673.db2.gz BOAXEOZOOKJSAZ-VIFPVBQESA-N 1 2 247.302 1.404 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCc2cnccn2)o1 ZINC001319742912 991958674 /nfs/dbraw/zinc/95/86/74/991958674.db2.gz BOAXEOZOOKJSAZ-VIFPVBQESA-N 1 2 247.302 1.404 20 0 BDADLO CS[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CCF ZINC001567359099 992022071 /nfs/dbraw/zinc/02/20/71/992022071.db2.gz FYTXRXPYWYKHGE-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001567359099 992022081 /nfs/dbraw/zinc/02/20/81/992022081.db2.gz FYTXRXPYWYKHGE-VHSXEESVSA-N 1 2 248.367 1.288 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)[nH]n1 ZINC001320026702 992077621 /nfs/dbraw/zinc/07/76/21/992077621.db2.gz VULVATGYQAATDC-KCJUWKMLSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)[nH]n1 ZINC001320026702 992077634 /nfs/dbraw/zinc/07/76/34/992077634.db2.gz VULVATGYQAATDC-KCJUWKMLSA-N 1 2 211.284 1.898 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)CCC(C)C)C1 ZINC001567782162 992088942 /nfs/dbraw/zinc/08/89/42/992088942.db2.gz TXJBXFGHMFFLDD-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC(C)(C)C(=O)NC1C[NH+](CC)C1 ZINC001567805263 992099944 /nfs/dbraw/zinc/09/99/44/992099944.db2.gz STTSJWWWKPSXDQ-UHFFFAOYSA-N 1 2 212.337 1.633 20 0 BDADLO OCC[C@H]([NH2+]Cc1cncnc1)c1ccco1 ZINC001320306151 992162669 /nfs/dbraw/zinc/16/26/69/992162669.db2.gz MTLQWXAPAVNBCG-NSHDSACASA-N 1 2 233.271 1.283 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001261213421 992193647 /nfs/dbraw/zinc/19/36/47/992193647.db2.gz JYSWLANNHYPBFK-QWRGUYRKSA-N 1 2 239.319 1.328 20 0 BDADLO CC(C)c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001320470137 992211469 /nfs/dbraw/zinc/21/14/69/992211469.db2.gz QTCHRRWJVRSHCY-MRVPVSSYSA-N 1 2 206.249 1.999 20 0 BDADLO CCOCC(C)(C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261249917 992218577 /nfs/dbraw/zinc/21/85/77/992218577.db2.gz AZIJPCRBWNLAQX-SNVBAGLBSA-N 1 2 239.319 1.375 20 0 BDADLO C[N@H+](CC[NH3+])[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598487239 992221481 /nfs/dbraw/zinc/22/14/81/992221481.db2.gz GPRQXYVDTTYQNS-JTQLQIEISA-N 1 2 242.706 1.356 20 0 BDADLO C[N@@H+](CC[NH3+])[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598487239 992221493 /nfs/dbraw/zinc/22/14/93/992221493.db2.gz GPRQXYVDTTYQNS-JTQLQIEISA-N 1 2 242.706 1.356 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@H]1C ZINC001320633954 992273852 /nfs/dbraw/zinc/27/38/52/992273852.db2.gz RGGNYHNZGJDRJC-GXSJLCMTSA-N 1 2 237.303 1.102 20 0 BDADLO CCc1cnc(C[NH2+]CCN(CC)C(C)=O)o1 ZINC001320662629 992299575 /nfs/dbraw/zinc/29/95/75/992299575.db2.gz ZLINIRXNRCPOJG-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCC[NH2+][C@@H](C)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001261460273 992323942 /nfs/dbraw/zinc/32/39/42/992323942.db2.gz XZGNSEBOKJBGRG-QMMMGPOBSA-N 1 2 239.323 1.255 20 0 BDADLO C[C@@H](C(=O)Nc1n[nH]cc1C1CC1)n1cc[nH+]c1 ZINC001261499304 992347282 /nfs/dbraw/zinc/34/72/82/992347282.db2.gz HIBWAKNQSCXXTG-QMMMGPOBSA-N 1 2 245.286 1.683 20 0 BDADLO COCc1nc(C[N@H+](CC(C)C)C2CC2)no1 ZINC001320787138 992359715 /nfs/dbraw/zinc/35/97/15/992359715.db2.gz QPQDDCBHGXNHLL-UHFFFAOYSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](CC(C)C)C2CC2)no1 ZINC001320787138 992359726 /nfs/dbraw/zinc/35/97/26/992359726.db2.gz QPQDDCBHGXNHLL-UHFFFAOYSA-N 1 2 239.319 1.836 20 0 BDADLO CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001569344430 992363488 /nfs/dbraw/zinc/36/34/88/992363488.db2.gz FKQDXNQUBJPVQU-ZDUSSCGKSA-N 1 2 247.342 1.572 20 0 BDADLO CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001569344430 992363503 /nfs/dbraw/zinc/36/35/03/992363503.db2.gz FKQDXNQUBJPVQU-ZDUSSCGKSA-N 1 2 247.342 1.572 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C(F)F)C1 ZINC001261548356 992375462 /nfs/dbraw/zinc/37/54/62/992375462.db2.gz NAIQSGGLIUBJCW-ZETCQYMHSA-N 1 2 243.257 1.312 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C(F)F)C1 ZINC001261548356 992375452 /nfs/dbraw/zinc/37/54/52/992375452.db2.gz NAIQSGGLIUBJCW-ZETCQYMHSA-N 1 2 243.257 1.312 20 0 BDADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001261637938 992429948 /nfs/dbraw/zinc/42/99/48/992429948.db2.gz KLGNKNJJVAUAOJ-VHSXEESVSA-N 1 2 240.376 1.911 20 0 BDADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001261637938 992429957 /nfs/dbraw/zinc/42/99/57/992429957.db2.gz KLGNKNJJVAUAOJ-VHSXEESVSA-N 1 2 240.376 1.911 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C2CC2)ccn1 ZINC001569945023 992432047 /nfs/dbraw/zinc/43/20/47/992432047.db2.gz XFHDYNPYNWNBIF-GFCCVEGCSA-N 1 2 245.326 1.992 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C2CC2)ccn1 ZINC001569945023 992432053 /nfs/dbraw/zinc/43/20/53/992432053.db2.gz XFHDYNPYNWNBIF-GFCCVEGCSA-N 1 2 245.326 1.992 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cncs2)c2ncnn21 ZINC001261671675 992456306 /nfs/dbraw/zinc/45/63/06/992456306.db2.gz WXTJJVGAKQDAEY-IONNQARKSA-N 1 2 235.316 1.530 20 0 BDADLO COCC[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001570355901 992463353 /nfs/dbraw/zinc/46/33/53/992463353.db2.gz SGDSACFJJHXDFG-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO COCC[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001570355901 992463357 /nfs/dbraw/zinc/46/33/57/992463357.db2.gz SGDSACFJJHXDFG-SNVBAGLBSA-N 1 2 239.319 1.131 20 0 BDADLO CC(C)(C)ONC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001261758843 992492960 /nfs/dbraw/zinc/49/29/60/992492960.db2.gz LWXLFGPTJYLELM-VIFPVBQESA-N 1 2 237.303 1.292 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CC[C@@H](O)C(C)C)no1 ZINC001262013673 992602435 /nfs/dbraw/zinc/60/24/35/992602435.db2.gz JHWLNEKCOIHSEM-WCBMZHEXSA-N 1 2 227.308 1.436 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)CC2 ZINC001262014425 992602613 /nfs/dbraw/zinc/60/26/13/992602613.db2.gz HVUCKAZXZQJOEV-UBHSHLNASA-N 1 2 247.342 1.656 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)CC2 ZINC001262014425 992602617 /nfs/dbraw/zinc/60/26/17/992602617.db2.gz HVUCKAZXZQJOEV-UBHSHLNASA-N 1 2 247.342 1.656 20 0 BDADLO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)OC(C)C ZINC001262018430 992608549 /nfs/dbraw/zinc/60/85/49/992608549.db2.gz IAWLVMMLURAAMO-UHFFFAOYSA-N 1 2 245.363 1.857 20 0 BDADLO CCC/C(C)=C\C(=O)N=S1(=O)CC[NH2+]CC1 ZINC001573727129 992686078 /nfs/dbraw/zinc/68/60/78/992686078.db2.gz AGTJIPSCLCGSCY-KTKRTIGZSA-N 1 2 244.360 1.331 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1C[C@H]1[C@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001262152049 992697264 /nfs/dbraw/zinc/69/72/64/992697264.db2.gz CZLPMIITXLEVBE-NAWOPXAZSA-N 1 2 247.342 1.852 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001262160332 992720823 /nfs/dbraw/zinc/72/08/23/992720823.db2.gz BLFIEJXDFWHUSZ-VIFPVBQESA-N 1 2 248.286 1.161 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001262160332 992720838 /nfs/dbraw/zinc/72/08/38/992720838.db2.gz BLFIEJXDFWHUSZ-VIFPVBQESA-N 1 2 248.286 1.161 20 0 BDADLO O=C(O[C@H]1COc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC001574429603 992860241 /nfs/dbraw/zinc/86/02/41/992860241.db2.gz RQOUOYYBBMZJCS-YPMHNXCESA-N 1 2 247.294 1.805 20 0 BDADLO Cc1cc(C[NH+]2CC(Cc3ccoc3)C2)[nH]n1 ZINC001262377873 992868446 /nfs/dbraw/zinc/86/84/46/992868446.db2.gz KNDZNGWHDNDXIA-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC001262484320 992890475 /nfs/dbraw/zinc/89/04/75/992890475.db2.gz BJBLJJRVDFYYCD-SECBINFHSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1noc(C)c1NC(=O)C[C@H]([NH3+])C(F)F ZINC001262554448 992903963 /nfs/dbraw/zinc/90/39/63/992903963.db2.gz GOOQAALFGSGHQT-LURJTMIESA-N 1 2 233.218 1.212 20 0 BDADLO O=C(CC[NH2+]CC(F)F)Nc1cccnc1 ZINC001262565695 992920594 /nfs/dbraw/zinc/92/05/94/992920594.db2.gz UNBNSSROBMAKCQ-UHFFFAOYSA-N 1 2 229.230 1.265 20 0 BDADLO CCc1ccc(N2CCC(CO)CC2)[nH+]c1 ZINC001262679023 993021289 /nfs/dbraw/zinc/02/12/89/993021289.db2.gz XICSZTAGNHMOQJ-UHFFFAOYSA-N 1 2 220.316 1.853 20 0 BDADLO CCc1ccc(N2CCCn3nncc3C2)[nH+]c1 ZINC001262705768 993046057 /nfs/dbraw/zinc/04/60/57/993046057.db2.gz RYYZPYGFJDATTE-UHFFFAOYSA-N 1 2 243.314 1.646 20 0 BDADLO CC(C)c1nc(NC(=O)[C@]2(C)CCC[NH2+]2)n[nH]1 ZINC001575894946 993118556 /nfs/dbraw/zinc/11/85/56/993118556.db2.gz PBSHWTXWNHEFKS-NSHDSACASA-N 1 2 237.307 1.009 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000379019802 993213230 /nfs/dbraw/zinc/21/32/30/993213230.db2.gz SBSPLRNPZAXAKW-GFCCVEGCSA-N 1 2 228.299 1.821 20 0 BDADLO CC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000585336101 993255640 /nfs/dbraw/zinc/25/56/40/993255640.db2.gz SGWJZDJWNHZMSI-GFCCVEGCSA-N 1 2 220.272 1.471 20 0 BDADLO c1cnc(NC2CN(c3cccc[nH+]3)C2)nc1 ZINC000585379173 993260817 /nfs/dbraw/zinc/26/08/17/993260817.db2.gz DWSOUVKFBIOQGX-UHFFFAOYSA-N 1 2 227.271 1.172 20 0 BDADLO C[C@@H]1CCN(c2cc(N)nc[nH+]2)CCS1 ZINC000380276674 993323072 /nfs/dbraw/zinc/32/30/72/993323072.db2.gz DSOIZAOOKXSNIP-MRVPVSSYSA-N 1 2 224.333 1.391 20 0 BDADLO c1c2[nH]c([C@H]3CCOC3)[nH+]c2cc2c1OCO2 ZINC000586911334 993417527 /nfs/dbraw/zinc/41/75/27/993417527.db2.gz HBHTXLOICSKYRI-ZETCQYMHSA-N 1 2 232.239 1.796 20 0 BDADLO C[C@@H]1OC(C)(C)N[C@@H]1C[NH2+]Cc1cnsc1 ZINC001576910785 993453019 /nfs/dbraw/zinc/45/30/19/993453019.db2.gz WFNYOEKJOXSSMS-WCBMZHEXSA-N 1 2 241.360 1.346 20 0 BDADLO CO[C@@](C)(C[N@H+](C)Cc1cnn[nH]1)C1CC1 ZINC001576935896 993460883 /nfs/dbraw/zinc/46/08/83/993460883.db2.gz KUJKWJHSFDMOGT-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@](C)(C[N@@H+](C)Cc1cnn[nH]1)C1CC1 ZINC001576935896 993460889 /nfs/dbraw/zinc/46/08/89/993460889.db2.gz KUJKWJHSFDMOGT-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@](C)(C[N@H+](C)Cc1c[nH]nn1)C1CC1 ZINC001576935896 993460892 /nfs/dbraw/zinc/46/08/92/993460892.db2.gz KUJKWJHSFDMOGT-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@](C)(C[N@@H+](C)Cc1c[nH]nn1)C1CC1 ZINC001576935896 993460898 /nfs/dbraw/zinc/46/08/98/993460898.db2.gz KUJKWJHSFDMOGT-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCOC[C@H]1OC ZINC000383850718 993526053 /nfs/dbraw/zinc/52/60/53/993526053.db2.gz LZEJOQFWZUQSBP-MWLCHTKSSA-N 1 2 238.287 1.306 20 0 BDADLO CCOC[C@H](O)CNc1cccc2[nH+]ccn21 ZINC000384098539 993541259 /nfs/dbraw/zinc/54/12/59/993541259.db2.gz WFSXHYPYBGLFNA-SNVBAGLBSA-N 1 2 235.287 1.144 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH+]ccn2C)o1 ZINC001263972505 993633912 /nfs/dbraw/zinc/63/39/12/993633912.db2.gz JCQPTGNCZINUCO-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]1C1CCCC1 ZINC001263987037 993640533 /nfs/dbraw/zinc/64/05/33/993640533.db2.gz BDMOAEMOBGXDRC-OLZOCXBDSA-N 1 2 247.342 1.826 20 0 BDADLO CN(C)c1ccc(NC[C@@H](O)C(C)(C)C)c[nH+]1 ZINC000387382649 993707822 /nfs/dbraw/zinc/70/78/22/993707822.db2.gz YTFBCEFAZNNEDX-LLVKDONJSA-N 1 2 237.347 1.967 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2nnc(C)[nH]2)cn1 ZINC000392365697 993855609 /nfs/dbraw/zinc/85/56/09/993855609.db2.gz VDXIFBKJTULRPQ-QMMMGPOBSA-N 1 2 234.307 1.180 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2CCNc3ccccc32)C1 ZINC000393605838 993972117 /nfs/dbraw/zinc/97/21/17/993972117.db2.gz YZIAOXZCSIURFT-GFCCVEGCSA-N 1 2 245.326 1.016 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724712613 994075718 /nfs/dbraw/zinc/07/57/18/994075718.db2.gz OVKUQIWRSBITRF-NKWVEPMBSA-N 1 2 220.263 1.131 20 0 BDADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001280396676 994108558 /nfs/dbraw/zinc/10/85/58/994108558.db2.gz JJZYCHLXNISDCL-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001280396676 994108569 /nfs/dbraw/zinc/10/85/69/994108569.db2.gz JJZYCHLXNISDCL-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO Cn1c[nH+]cc1CN[C@H](c1ncccn1)C1CC1 ZINC001332799523 994363174 /nfs/dbraw/zinc/36/31/74/994363174.db2.gz OEGULSJXXKYHLB-LBPRGKRZSA-N 1 2 243.314 1.451 20 0 BDADLO COC/C=C/C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001292436636 994615652 /nfs/dbraw/zinc/61/56/52/994615652.db2.gz GQCSCDAJXHWMDJ-ONEGZZNKSA-N 1 2 245.282 1.784 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccnc1C ZINC001294026931 994679793 /nfs/dbraw/zinc/67/97/93/994679793.db2.gz LZEWPZKVHVOCNR-NSHDSACASA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccnc1C ZINC001294026931 994679796 /nfs/dbraw/zinc/67/97/96/994679796.db2.gz LZEWPZKVHVOCNR-NSHDSACASA-N 1 2 219.288 1.423 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ncon1 ZINC001335484201 994788954 /nfs/dbraw/zinc/78/89/54/994788954.db2.gz XGYOIMRQLNOTTR-JQWIXIFHSA-N 1 2 247.298 1.324 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1C[C@@H](F)[C@@H](F)C1 ZINC001298250703 994915853 /nfs/dbraw/zinc/91/58/53/994915853.db2.gz NHPSWCBUCIUKRH-AOOOYVTPSA-N 1 2 243.257 1.182 20 0 BDADLO C=C=CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001298424443 994927859 /nfs/dbraw/zinc/92/78/59/994927859.db2.gz LBNMJMADGQRFDK-UHFFFAOYSA-N 1 2 227.267 1.714 20 0 BDADLO O=C(Nc1ccsn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001302924823 995131919 /nfs/dbraw/zinc/13/19/19/995131919.db2.gz SWSMATWYFZRDDD-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccsn1 ZINC001302925222 995132686 /nfs/dbraw/zinc/13/26/86/995132686.db2.gz ZARBZLYCVLBBTA-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccsn1 ZINC001302925222 995132692 /nfs/dbraw/zinc/13/26/92/995132692.db2.gz ZARBZLYCVLBBTA-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO Nc1cc(N2CCC[C@H]2[C@H]2CCCOC2)[nH+]cn1 ZINC001337202886 995150188 /nfs/dbraw/zinc/15/01/88/995150188.db2.gz BIBRYAKKDADIAR-QWRGUYRKSA-N 1 2 248.330 1.454 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001337235210 995150621 /nfs/dbraw/zinc/15/06/21/995150621.db2.gz DJEOWJZNWZHGIM-NWDGAFQWSA-N 1 2 249.314 1.040 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H](C)CO1 ZINC001339100864 995253219 /nfs/dbraw/zinc/25/32/19/995253219.db2.gz AAAVZVBAMNQQHO-KWQFWETISA-N 1 2 234.299 1.484 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001307597377 995411415 /nfs/dbraw/zinc/41/14/15/995411415.db2.gz NRHTYVPJXOXYDH-XHNCKOQMSA-N 1 2 233.258 1.525 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001307597377 995411421 /nfs/dbraw/zinc/41/14/21/995411421.db2.gz NRHTYVPJXOXYDH-XHNCKOQMSA-N 1 2 233.258 1.525 20 0 BDADLO Cc1cc(CN2CCc3[nH+]c[nH]c3C2)sn1 ZINC001307821162 995472300 /nfs/dbraw/zinc/47/23/00/995472300.db2.gz OWLKKRQFUINQDN-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cl/C=C/CN1CC[NH+](Cc2ccno2)CC1 ZINC001308036005 995530823 /nfs/dbraw/zinc/53/08/23/995530823.db2.gz MSBDALAVFFBRKU-HNQUOIGGSA-N 1 2 241.722 1.545 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CNC(=O)C1 ZINC001308154885 995576140 /nfs/dbraw/zinc/57/61/40/995576140.db2.gz VDYBTTMIMRIPIS-BDAKNGLRSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CNC(=O)C1 ZINC001308154885 995576150 /nfs/dbraw/zinc/57/61/50/995576150.db2.gz VDYBTTMIMRIPIS-BDAKNGLRSA-N 1 2 232.274 1.242 20 0 BDADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC001308154892 995576632 /nfs/dbraw/zinc/57/66/32/995576632.db2.gz VEOPYOOHSNTKGA-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO Cc1noc([C@@H]([NH2+]CC2OCCO2)C(C)C)n1 ZINC001308178515 995588456 /nfs/dbraw/zinc/58/84/56/995588456.db2.gz UTFVLQXKOHRQRE-JTQLQIEISA-N 1 2 241.291 1.038 20 0 BDADLO C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001594387450 999465664 /nfs/dbraw/zinc/46/56/64/999465664.db2.gz KZQFXNKZSFBJJV-WOPDTQHZSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001594387450 999465667 /nfs/dbraw/zinc/46/56/67/999465667.db2.gz KZQFXNKZSFBJJV-WOPDTQHZSA-N 1 2 240.347 1.314 20 0 BDADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CC1(CO)CC1 ZINC000644863540 398136364 /nfs/dbraw/zinc/13/63/64/398136364.db2.gz PPTRDMVIQKSWSN-UHFFFAOYSA-N 1 2 249.289 1.319 20 0 BDADLO Cc1nc(N2CC(=O)N(C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000336911202 398138399 /nfs/dbraw/zinc/13/83/99/398138399.db2.gz IXXBCOJCTVURSI-MRVPVSSYSA-N 1 2 248.330 1.069 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCCOCC1 ZINC000061858359 398138719 /nfs/dbraw/zinc/13/87/19/398138719.db2.gz KUTCOVJDSQOJIM-UHFFFAOYSA-N 1 2 243.738 1.604 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCCOCC1 ZINC000061858359 398138722 /nfs/dbraw/zinc/13/87/22/398138722.db2.gz KUTCOVJDSQOJIM-UHFFFAOYSA-N 1 2 243.738 1.604 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000649318329 398142890 /nfs/dbraw/zinc/14/28/90/398142890.db2.gz XNBWGVYJRPDSTM-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000649318329 398142892 /nfs/dbraw/zinc/14/28/92/398142892.db2.gz XNBWGVYJRPDSTM-VIFPVBQESA-N 1 2 227.333 1.539 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000649863276 398145191 /nfs/dbraw/zinc/14/51/91/398145191.db2.gz BIXNINZBAJXUGV-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000649863276 398145194 /nfs/dbraw/zinc/14/51/94/398145194.db2.gz BIXNINZBAJXUGV-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)co1 ZINC000161565733 349473734 /nfs/dbraw/zinc/47/37/34/349473734.db2.gz CFEQVTJCDHZUOI-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO CCC(CC)([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000338343263 168330626 /nfs/dbraw/zinc/33/06/26/168330626.db2.gz AFZHTJAERMCHQJ-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CCC(CC)([NH2+]C[C@H](C)OC)C(=O)OC ZINC000336732193 168331648 /nfs/dbraw/zinc/33/16/48/168331648.db2.gz LJIXYOOJTJIWRT-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H](C)CCO)cs1 ZINC000649867445 398149969 /nfs/dbraw/zinc/14/99/69/398149969.db2.gz JNUBLKJSVYICKU-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H](C)CCO)cs1 ZINC000649867445 398149972 /nfs/dbraw/zinc/14/99/72/398149972.db2.gz JNUBLKJSVYICKU-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO CCOc1nnc(C[N@H+](C)[C@@H](C)CCO)s1 ZINC000649867460 398150397 /nfs/dbraw/zinc/15/03/97/398150397.db2.gz JTPVCTJXPMQNST-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)[C@@H](C)CCO)s1 ZINC000649867460 398150400 /nfs/dbraw/zinc/15/04/00/398150400.db2.gz JTPVCTJXPMQNST-QMMMGPOBSA-N 1 2 245.348 1.140 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ncn1 ZINC000293223180 178003260 /nfs/dbraw/zinc/00/32/60/178003260.db2.gz QASNSDUPNIDPKL-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cc(C[N@H+]2CCc3n[nH]cc3C2)ncn1 ZINC000293223180 178003261 /nfs/dbraw/zinc/00/32/61/178003261.db2.gz QASNSDUPNIDPKL-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ncn1 ZINC000292222374 178005914 /nfs/dbraw/zinc/00/59/14/178005914.db2.gz QVPPSZYFBAWLKX-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ncn1 ZINC000292222374 178005916 /nfs/dbraw/zinc/00/59/16/178005916.db2.gz QVPPSZYFBAWLKX-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC000299697144 398152159 /nfs/dbraw/zinc/15/21/59/398152159.db2.gz YGSDIVVTHIHIOM-UHFFFAOYSA-N 1 2 223.320 1.970 20 0 BDADLO C[C@H]([C@H](C)O)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000270065979 538921678 /nfs/dbraw/zinc/92/16/78/538921678.db2.gz DCNFOQSKRJFBQP-BDAKNGLRSA-N 1 2 219.288 1.768 20 0 BDADLO COc1ncccc1CNc1cc(C)[nH+]cn1 ZINC000040727249 398168821 /nfs/dbraw/zinc/16/88/21/398168821.db2.gz IXCLVSVJCJMBCS-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cc1cc(C[NH2+]Cc2nncn2C)cs1 ZINC000286009072 178028683 /nfs/dbraw/zinc/02/86/83/178028683.db2.gz URRMGCOBHQKZNL-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1cc(C[NH2+]Cc2[nH]ncc2C)on1 ZINC000336734154 178029561 /nfs/dbraw/zinc/02/95/61/178029561.db2.gz MWUXZOGAGAGBRB-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO Cc1cc(C[NH2+]Cc2n[nH]cc2C)on1 ZINC000336734154 178029564 /nfs/dbraw/zinc/02/95/64/178029564.db2.gz MWUXZOGAGAGBRB-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cccnc2N)nc1 ZINC000649904162 398173014 /nfs/dbraw/zinc/17/30/14/398173014.db2.gz NDRAYNMKRWEVIO-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cccnc2N)nc1 ZINC000649904162 398173017 /nfs/dbraw/zinc/17/30/17/398173017.db2.gz NDRAYNMKRWEVIO-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO CC(=O)c1cn(Cc2[nH+]ccn2C(F)F)nn1 ZINC000380070517 398183430 /nfs/dbraw/zinc/18/34/30/398183430.db2.gz QEBXOVHBIYBZIP-UHFFFAOYSA-N 1 2 241.201 1.121 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1ncccn1)C2 ZINC000649908437 398183756 /nfs/dbraw/zinc/18/37/56/398183756.db2.gz OHQNSTVBOFNBAZ-JTQLQIEISA-N 1 2 225.242 1.708 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1ncccn1)C2 ZINC000649908437 398183759 /nfs/dbraw/zinc/18/37/59/398183759.db2.gz OHQNSTVBOFNBAZ-JTQLQIEISA-N 1 2 225.242 1.708 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2CCC[C@@H]2O)c1Cl ZINC000277871842 398179540 /nfs/dbraw/zinc/17/95/40/398179540.db2.gz SADFZRYETOZQPH-WDSKDSINSA-N 1 2 228.683 1.038 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2CCC[C@@H]2O)c1Cl ZINC000277871842 398179544 /nfs/dbraw/zinc/17/95/44/398179544.db2.gz SADFZRYETOZQPH-WDSKDSINSA-N 1 2 228.683 1.038 20 0 BDADLO CC(C)C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882208 398162377 /nfs/dbraw/zinc/16/23/77/398162377.db2.gz MHFHJMJNFYKELD-LBPRGKRZSA-N 1 2 223.320 1.449 20 0 BDADLO CC(C)C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649882208 398162382 /nfs/dbraw/zinc/16/23/82/398162382.db2.gz MHFHJMJNFYKELD-LBPRGKRZSA-N 1 2 223.320 1.449 20 0 BDADLO CN(Cc1cnn(C)c1)c1cccc[nH+]1 ZINC000072619909 398182529 /nfs/dbraw/zinc/18/25/29/398182529.db2.gz JNXAIIPTCBEECN-UHFFFAOYSA-N 1 2 202.261 1.452 20 0 BDADLO CCC(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355073544 168337467 /nfs/dbraw/zinc/33/74/67/168337467.db2.gz BESWNFMPZQPALG-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355073544 168337468 /nfs/dbraw/zinc/33/74/68/168337468.db2.gz BESWNFMPZQPALG-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1CC[C@@H](CNc2nc[nH+]c(N)c2Cl)O1 ZINC000397912933 488170503 /nfs/dbraw/zinc/17/05/03/488170503.db2.gz FGQPQBXJCQQYDY-BQBZGAKWSA-N 1 2 242.710 1.114 20 0 BDADLO C[C@H]1CC[C@@H](CNc2[nH+]cnc(N)c2Cl)O1 ZINC000397912933 488170512 /nfs/dbraw/zinc/17/05/12/488170512.db2.gz FGQPQBXJCQQYDY-BQBZGAKWSA-N 1 2 242.710 1.114 20 0 BDADLO CCc1nnc(C[NH+]2C[C@@H](C)[C@@H]2C)s1 ZINC000645219001 398188079 /nfs/dbraw/zinc/18/80/79/398188079.db2.gz DRHXRJFKAHPFRP-SFYZADRCSA-N 1 2 211.334 1.941 20 0 BDADLO CCc1cc(NCc2nnc(C3CC3)[nH]2)nc[nH+]1 ZINC000649398413 398199528 /nfs/dbraw/zinc/19/95/28/398199528.db2.gz YVAQWJWDJJNLOF-UHFFFAOYSA-N 1 2 244.302 1.069 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(N)nc2)[C@@H]1C ZINC000380547788 398199646 /nfs/dbraw/zinc/19/96/46/398199646.db2.gz XUIREMZWCRLBEO-NXEZZACHSA-N 1 2 221.304 1.103 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(N)nc2)[C@@H]1C ZINC000380547788 398199647 /nfs/dbraw/zinc/19/96/47/398199647.db2.gz XUIREMZWCRLBEO-NXEZZACHSA-N 1 2 221.304 1.103 20 0 BDADLO CN(Cc1cccs1)C(=O)Cn1cc[nH+]c1 ZINC000073172222 398194928 /nfs/dbraw/zinc/19/49/28/398194928.db2.gz BZYLUNIVPICMQE-UHFFFAOYSA-N 1 2 235.312 1.603 20 0 BDADLO CCC[C@@H](C[NH2+]CC(F)(F)CO)OC ZINC000386077736 398195885 /nfs/dbraw/zinc/19/58/85/398195885.db2.gz GIJWBPLKPRZGQM-QMMMGPOBSA-N 1 2 211.252 1.019 20 0 BDADLO Nc1ccoc1C(=O)NCCCCn1cc[nH+]c1 ZINC000313201711 398196449 /nfs/dbraw/zinc/19/64/49/398196449.db2.gz ZZCLCNFZLYIRAO-UHFFFAOYSA-N 1 2 248.286 1.269 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@H+](CC(F)F)C1 ZINC000645245979 398197424 /nfs/dbraw/zinc/19/74/24/398197424.db2.gz NQONDUOFLORGSX-LLVKDONJSA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)[C@]1(CO)CCC[N@@H+](CC(F)F)C1 ZINC000645245979 398197428 /nfs/dbraw/zinc/19/74/28/398197428.db2.gz NQONDUOFLORGSX-LLVKDONJSA-N 1 2 221.291 1.982 20 0 BDADLO Cc1cc(N2CCC[C@@H](O)CC2)nc[nH+]1 ZINC000338836294 178115382 /nfs/dbraw/zinc/11/53/82/178115382.db2.gz LXRMIFFLZYUHKL-SNVBAGLBSA-N 1 2 207.277 1.136 20 0 BDADLO Cc1cc(N2C[C@H](CO)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000357676814 178120927 /nfs/dbraw/zinc/12/09/27/178120927.db2.gz VSUCIEBMMQHCFK-ZYHUDNBSSA-N 1 2 249.358 1.973 20 0 BDADLO Cc1cc(N2C[C@H](CO)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000357660936 178121435 /nfs/dbraw/zinc/12/14/35/178121435.db2.gz QKDKRMZLIRFUIK-BXKDBHETSA-N 1 2 247.342 1.727 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000357660937 178121515 /nfs/dbraw/zinc/12/15/15/178121515.db2.gz QKDKRMZLIRFUIK-CABZTGNLSA-N 1 2 247.342 1.727 20 0 BDADLO Cc1cc(N2C[C@H](C)[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000351504115 178122223 /nfs/dbraw/zinc/12/22/23/178122223.db2.gz ZSKVGVIIVUGXJW-GXSJLCMTSA-N 1 2 235.331 1.725 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2c(C)cnn2C)cn1 ZINC000576313606 365562539 /nfs/dbraw/zinc/56/25/39/365562539.db2.gz KWTWRBULLCKBTI-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2c(C)cnn2C)cn1 ZINC000576313606 365562546 /nfs/dbraw/zinc/56/25/46/365562546.db2.gz KWTWRBULLCKBTI-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1COCCO1 ZINC000649401560 398203864 /nfs/dbraw/zinc/20/38/64/398203864.db2.gz BVZHHVOAEKAPHU-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1COCCO1 ZINC000649401560 398203865 /nfs/dbraw/zinc/20/38/65/398203865.db2.gz BVZHHVOAEKAPHU-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccon1 ZINC000336752593 398204694 /nfs/dbraw/zinc/20/46/94/398204694.db2.gz VVNJJQLFVQKLPX-XPUUQOCRSA-N 1 2 238.209 1.639 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CCCCC2)on1 ZINC000014901451 178129438 /nfs/dbraw/zinc/12/94/38/178129438.db2.gz MDMWXTQAFNJCKF-UHFFFAOYSA-N 1 2 223.276 1.407 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)on1 ZINC000293054561 178132080 /nfs/dbraw/zinc/13/20/80/178132080.db2.gz RVZKJDMIUHXRMD-CBAPKCEASA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)on1 ZINC000293054561 178132081 /nfs/dbraw/zinc/13/20/81/178132081.db2.gz RVZKJDMIUHXRMD-CBAPKCEASA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)on1 ZINC000293054557 178132097 /nfs/dbraw/zinc/13/20/97/178132097.db2.gz RVZKJDMIUHXRMD-APPZFPTMSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)on1 ZINC000293054557 178132098 /nfs/dbraw/zinc/13/20/98/178132098.db2.gz RVZKJDMIUHXRMD-APPZFPTMSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)no1 ZINC000292919440 178133317 /nfs/dbraw/zinc/13/33/17/178133317.db2.gz GBQPVUKOZJNLMC-CBAPKCEASA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)no1 ZINC000292919440 178133319 /nfs/dbraw/zinc/13/33/19/178133319.db2.gz GBQPVUKOZJNLMC-CBAPKCEASA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000073609946 178134221 /nfs/dbraw/zinc/13/42/21/178134221.db2.gz DQTLMBNRPLRKOI-UHFFFAOYSA-N 1 2 231.255 1.868 20 0 BDADLO Cc1cc(NC(=O)N2CCC(O)CC2)cc[nH+]1 ZINC000270982315 178136716 /nfs/dbraw/zinc/13/67/16/178136716.db2.gz ADEGWWLNKRNZRN-UHFFFAOYSA-N 1 2 235.287 1.379 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H](O)C2)cc[nH+]1 ZINC000119307518 178136912 /nfs/dbraw/zinc/13/69/12/178136912.db2.gz FXUGFBCXPAHUMB-NSHDSACASA-N 1 2 235.287 1.379 20 0 BDADLO CS[C@@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000576291950 365555391 /nfs/dbraw/zinc/55/53/91/365555391.db2.gz XQZAEXZIJNEKJH-SNVBAGLBSA-N 1 2 242.388 1.292 20 0 BDADLO Cc1cc(NC(=O)NCCCCCO)cc[nH+]1 ZINC000192970247 178138365 /nfs/dbraw/zinc/13/83/65/178138365.db2.gz MKCNIHIEPTWHRG-UHFFFAOYSA-N 1 2 237.303 1.674 20 0 BDADLO Cc1cc(NC(=O)NCCCCO)cc[nH+]1 ZINC000193593994 178139943 /nfs/dbraw/zinc/13/99/43/178139943.db2.gz DUJKQGUVGJDCDJ-UHFFFAOYSA-N 1 2 223.276 1.284 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CCCOC2)cc[nH+]1 ZINC000179802641 178141365 /nfs/dbraw/zinc/14/13/65/178141365.db2.gz PGRMCYAZOTUKFP-NSHDSACASA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC2(F)F)cc[nH+]1 ZINC000295010600 178143116 /nfs/dbraw/zinc/14/31/16/178143116.db2.gz XJDIFJPGJZNCPD-QMMMGPOBSA-N 1 2 212.199 1.984 20 0 BDADLO CCO[C@H]1CC[N@H+](CC(F)F)C[C@H]1C ZINC000649990009 398210094 /nfs/dbraw/zinc/21/00/94/398210094.db2.gz IQWNCNRDIZOLSI-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO CCO[C@H]1CC[N@@H+](CC(F)F)C[C@H]1C ZINC000649990009 398210099 /nfs/dbraw/zinc/21/00/99/398210099.db2.gz IQWNCNRDIZOLSI-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO Cc1cc(NCC2(C)OCCO2)nc(C2CC2)[nH+]1 ZINC000179468851 178155926 /nfs/dbraw/zinc/15/59/26/178155926.db2.gz MMBMCTIKESPCAE-UHFFFAOYSA-N 1 2 249.314 1.837 20 0 BDADLO Cc1cc(NCC2(CCO)CC2)nc[nH+]1 ZINC000133016414 178156805 /nfs/dbraw/zinc/15/68/05/178156805.db2.gz DDCOANZEPACOGZ-UHFFFAOYSA-N 1 2 207.277 1.360 20 0 BDADLO CCC(CC)CC(=O)NCCn1cc[nH+]c1 ZINC000120906104 168345150 /nfs/dbraw/zinc/34/51/50/168345150.db2.gz UJGJDUUECJCDNP-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)C12CCC2 ZINC000195005082 136221370 /nfs/dbraw/zinc/22/13/70/136221370.db2.gz KRLIIBIMIQJJNK-VWYCJHECSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1cc(NCC[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000265284558 178161071 /nfs/dbraw/zinc/16/10/71/178161071.db2.gz ADKZYHOSILLKQS-SECBINFHSA-N 1 2 221.304 1.845 20 0 BDADLO Cc1cc(NCC[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000265284562 178162768 /nfs/dbraw/zinc/16/27/68/178162768.db2.gz ADKZYHOSILLKQS-VIFPVBQESA-N 1 2 221.304 1.845 20 0 BDADLO Cc1cc(NCCc2ccccn2)nc[nH+]1 ZINC000040726964 178163601 /nfs/dbraw/zinc/16/36/01/178163601.db2.gz DYOYASJHWRNFMW-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)CF)n1cc[nH+]c1 ZINC000650035561 398224759 /nfs/dbraw/zinc/22/47/59/398224759.db2.gz UXBBHONGKPYFJC-DTWKUNHWSA-N 1 2 213.256 1.308 20 0 BDADLO Cc1cc(NC[C@](C)(O)c2ccco2)nc[nH+]1 ZINC000301457134 178170064 /nfs/dbraw/zinc/17/00/64/178170064.db2.gz ZBIDLPAZDMEWKX-LBPRGKRZSA-N 1 2 233.271 1.698 20 0 BDADLO Cc1cc(NCc2ncn(C)n2)nc(C2CC2)[nH+]1 ZINC000271075616 178176088 /nfs/dbraw/zinc/17/60/88/178176088.db2.gz RAXGUOOZBZEWMT-UHFFFAOYSA-N 1 2 244.302 1.403 20 0 BDADLO Cc1ccc(C)c(C[N@@H+](C)Cc2nnnn2C)c1 ZINC000354996938 136222179 /nfs/dbraw/zinc/22/21/79/136222179.db2.gz YFSSIXAUCYTLDA-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1ccc(C)c(C[N@H+](C)Cc2nnnn2C)c1 ZINC000354996938 136222180 /nfs/dbraw/zinc/22/21/80/136222180.db2.gz YFSSIXAUCYTLDA-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCn2cc(C)nc2C1 ZINC000649420946 398222757 /nfs/dbraw/zinc/22/27/57/398222757.db2.gz FPCRJAFLAZCCQU-LLVKDONJSA-N 1 2 223.320 1.168 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCn2cc(C)nc2C1 ZINC000649420946 398222760 /nfs/dbraw/zinc/22/27/60/398222760.db2.gz FPCRJAFLAZCCQU-LLVKDONJSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc[nH+]1 ZINC000329102062 178182674 /nfs/dbraw/zinc/18/26/74/178182674.db2.gz FKFGLKKPDOCUPC-DGCLKSJQSA-N 1 2 249.314 1.535 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000649421073 398223960 /nfs/dbraw/zinc/22/39/60/398223960.db2.gz XLNOUSWKADELQQ-GFCCVEGCSA-N 1 2 243.314 1.264 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000649421073 398223963 /nfs/dbraw/zinc/22/39/63/398223963.db2.gz XLNOUSWKADELQQ-GFCCVEGCSA-N 1 2 243.314 1.264 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000649421073 398223965 /nfs/dbraw/zinc/22/39/65/398223965.db2.gz XLNOUSWKADELQQ-GFCCVEGCSA-N 1 2 243.314 1.264 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000649421073 398223967 /nfs/dbraw/zinc/22/39/67/398223967.db2.gz XLNOUSWKADELQQ-GFCCVEGCSA-N 1 2 243.314 1.264 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000649421073 398223972 /nfs/dbraw/zinc/22/39/72/398223972.db2.gz XLNOUSWKADELQQ-GFCCVEGCSA-N 1 2 243.314 1.264 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000649421073 398223973 /nfs/dbraw/zinc/22/39/73/398223973.db2.gz XLNOUSWKADELQQ-GFCCVEGCSA-N 1 2 243.314 1.264 20 0 BDADLO CCC(=O)CCCN1CCn2cc(C)[nH+]c2C1 ZINC000649421045 398223997 /nfs/dbraw/zinc/22/39/97/398223997.db2.gz UWIFEICYSHWCPG-UHFFFAOYSA-N 1 2 235.331 1.766 20 0 BDADLO C[N@H+](CCCS(C)(=O)=O)Cc1cccs1 ZINC000264057602 398224122 /nfs/dbraw/zinc/22/41/22/398224122.db2.gz JSHQRVHKAWUGRU-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO C[N@@H+](CCCS(C)(=O)=O)Cc1cccs1 ZINC000264057602 398224126 /nfs/dbraw/zinc/22/41/26/398224126.db2.gz JSHQRVHKAWUGRU-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)[C@@H](C)CO)nn1C ZINC000421357738 192332112 /nfs/dbraw/zinc/33/21/12/192332112.db2.gz QEQMFJFWBZFKGN-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)[C@@H](C)CO)nn1C ZINC000421357738 192332114 /nfs/dbraw/zinc/33/21/14/192332114.db2.gz QEQMFJFWBZFKGN-ZETCQYMHSA-N 1 2 231.727 1.195 20 0 BDADLO Cc1c(Cl)c(C[NH2+][C@@H](C)CF)nn1C ZINC000421360395 192332945 /nfs/dbraw/zinc/33/29/45/192332945.db2.gz ZLDBRDYAIMLRTP-LURJTMIESA-N 1 2 219.691 1.830 20 0 BDADLO CCC(CC)CNC(=O)NCCn1cc[nH+]c1 ZINC000105065077 168356260 /nfs/dbraw/zinc/35/62/60/168356260.db2.gz GTMWBJLXLKTABV-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](OC)[C@H](C)CC ZINC000602439601 349526267 /nfs/dbraw/zinc/52/62/67/349526267.db2.gz GFRLSCLJBIZFBG-MNOVXSKESA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](OC)[C@H](C)CC ZINC000602439601 349526269 /nfs/dbraw/zinc/52/62/69/349526269.db2.gz GFRLSCLJBIZFBG-MNOVXSKESA-N 1 2 231.336 1.542 20 0 BDADLO Cc1nc(NCc2ncc(Cl)n2C)cc[nH+]1 ZINC000309873706 136226039 /nfs/dbraw/zinc/22/60/39/136226039.db2.gz RSLYWWFPZQUOQQ-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C12CC(C1)C2 ZINC000629946410 361787993 /nfs/dbraw/zinc/78/79/93/361787993.db2.gz MASBZNIQSAWCHG-UHFFFAOYSA-N 1 2 231.299 1.410 20 0 BDADLO Cc1cc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)no1 ZINC000282874387 178251094 /nfs/dbraw/zinc/25/10/94/178251094.db2.gz VJLKVRBEWGVHLH-XPUUQOCRSA-N 1 2 238.209 1.557 20 0 BDADLO Cc1cccc(CCNc2ncc(F)cn2)[nH+]1 ZINC000281520319 538939209 /nfs/dbraw/zinc/93/92/09/538939209.db2.gz QEHFSSXXCVTVMX-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Cc1cc2[nH]ncc2cc1NC(=O)C[NH+](C)C ZINC000276681760 178277202 /nfs/dbraw/zinc/27/72/02/178277202.db2.gz IITDGWZQYSHJRF-UHFFFAOYSA-N 1 2 232.287 1.371 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421438086 192339104 /nfs/dbraw/zinc/33/91/04/192339104.db2.gz VKIWKSQOICRBKB-IJLUTSLNSA-N 1 2 247.342 1.815 20 0 BDADLO CC(C)(C(=O)N1CC[C@@H]2C[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000619372280 343994130 /nfs/dbraw/zinc/99/41/30/343994130.db2.gz ZMQVYQATBHVHHY-NXEZZACHSA-N 1 2 233.315 1.556 20 0 BDADLO C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000336778962 398246280 /nfs/dbraw/zinc/24/62/80/398246280.db2.gz MVKWEHONMGSATK-IONNQARKSA-N 1 2 223.276 1.214 20 0 BDADLO Cc1cc2[nH+]cn(Cc3nnnn3C)c2cc1C ZINC000346291780 178306081 /nfs/dbraw/zinc/30/60/81/178306081.db2.gz IFWIYNCFARMQDN-UHFFFAOYSA-N 1 2 242.286 1.225 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ncc[nH]1 ZINC000286206929 538943480 /nfs/dbraw/zinc/94/34/80/538943480.db2.gz RPPWNXRRUSWYJV-JOYOIKCWSA-N 1 2 249.289 1.933 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)C(=O)N1CCCC1 ZINC000287330521 538944467 /nfs/dbraw/zinc/94/44/67/538944467.db2.gz FYBJPPFDRNGPJL-UWVGGRQHSA-N 1 2 236.319 1.071 20 0 BDADLO c1cc(NCc2c[nH+]c3ccccn23)no1 ZINC000167791514 538944635 /nfs/dbraw/zinc/94/46/35/538944635.db2.gz QSUJLHUVPQYGNS-UHFFFAOYSA-N 1 2 214.228 1.934 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)C(C)(C)C ZINC000291318388 538947705 /nfs/dbraw/zinc/94/77/05/538947705.db2.gz UOSFRUQKLHELQH-VIFPVBQESA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)cc1 ZINC000021519662 178343248 /nfs/dbraw/zinc/34/32/48/178343248.db2.gz BRZLGQPVMILWBE-WPRPVWTQSA-N 1 2 233.271 1.426 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2CC)C[C@@H](C)O1 ZINC000417758463 398258859 /nfs/dbraw/zinc/25/88/59/398258859.db2.gz OQOAOYCIAOFSKO-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2CC)C[C@@H](C)O1 ZINC000417758463 398258860 /nfs/dbraw/zinc/25/88/60/398258860.db2.gz OQOAOYCIAOFSKO-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1CCC1 ZINC000290615280 538946977 /nfs/dbraw/zinc/94/69/77/538946977.db2.gz FXNZKJGACVHDDX-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000291253918 538947364 /nfs/dbraw/zinc/94/73/64/538947364.db2.gz PBDFEYKGGXKUGP-QMMMGPOBSA-N 1 2 207.277 1.082 20 0 BDADLO CC[C@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000291547303 538947959 /nfs/dbraw/zinc/94/79/59/538947959.db2.gz YHDDMLDJPSAEMI-VIFPVBQESA-N 1 2 209.293 1.473 20 0 BDADLO CC[C@@H](NC(=O)CCCn1cc[nH+]c1)C(F)F ZINC000650461714 398262351 /nfs/dbraw/zinc/26/23/51/398262351.db2.gz QHPKVLYWTLQADW-SECBINFHSA-N 1 2 245.273 1.823 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)sn1 ZINC000639125953 398267591 /nfs/dbraw/zinc/26/75/91/398267591.db2.gz QJFILWZPIZSKDT-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)sn1 ZINC000639125953 398267592 /nfs/dbraw/zinc/26/75/92/398267592.db2.gz QJFILWZPIZSKDT-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO CCC(CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276443181 168375815 /nfs/dbraw/zinc/37/58/15/168375815.db2.gz AAFOHTRNWFISOR-AATRIKPKSA-N 1 2 207.277 1.728 20 0 BDADLO COc1cc(F)cc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000093970652 398271578 /nfs/dbraw/zinc/27/15/78/398271578.db2.gz ZCTYRDHAHHFFKR-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC(C)(F)F ZINC000378865005 346849800 /nfs/dbraw/zinc/84/98/00/346849800.db2.gz YKEXRIVGFZLESH-UHFFFAOYSA-N 1 2 227.218 1.430 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000179733128 538956119 /nfs/dbraw/zinc/95/61/19/538956119.db2.gz AVBIQGQHTAGTJX-WDEREUQCSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000179733128 538956120 /nfs/dbraw/zinc/95/61/20/538956120.db2.gz AVBIQGQHTAGTJX-WDEREUQCSA-N 1 2 237.347 1.592 20 0 BDADLO Cc1cc(N[C@@H](C)[C@@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493353 346851272 /nfs/dbraw/zinc/85/12/72/346851272.db2.gz MDFIWYBHNYJZJT-POYBYMJQSA-N 1 2 235.209 1.509 20 0 BDADLO CC(C)Oc1cc[nH+]c(CN2CCOCC2)c1 ZINC000649474875 398273773 /nfs/dbraw/zinc/27/37/73/398273773.db2.gz YUTFCLUGXYMSDK-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1nnc(NCc2c[nH+]c3ccccn23)o1 ZINC000181496189 538960792 /nfs/dbraw/zinc/96/07/92/538960792.db2.gz UATGZBURAVGNJC-UHFFFAOYSA-N 1 2 229.243 1.638 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636738524 349611036 /nfs/dbraw/zinc/61/10/36/349611036.db2.gz VATZDUYWUUFKCP-FOGDFJRCSA-N 1 2 248.330 1.296 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000600112611 342670929 /nfs/dbraw/zinc/67/09/29/342670929.db2.gz SHFSYWSFHYPQRX-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC000600112611 342670930 /nfs/dbraw/zinc/67/09/30/342670930.db2.gz SHFSYWSFHYPQRX-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC000600146054 342690070 /nfs/dbraw/zinc/69/00/70/342690070.db2.gz UYHMJDICFJCSER-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@H](C)C[S@@](C)=O)o1 ZINC000600146054 342690071 /nfs/dbraw/zinc/69/00/71/342690071.db2.gz UYHMJDICFJCSER-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569764 168381439 /nfs/dbraw/zinc/38/14/39/168381439.db2.gz VMEPJWAQISKQHF-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569764 168381440 /nfs/dbraw/zinc/38/14/40/168381440.db2.gz VMEPJWAQISKQHF-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3c2OCO3)on1 ZINC000231884268 342741317 /nfs/dbraw/zinc/74/13/17/342741317.db2.gz YOEMFNGLQOYCTD-UHFFFAOYSA-N 1 2 232.239 1.693 20 0 BDADLO CCn1nccc1C[NH2+]Cc1ccno1 ZINC000231885717 342741794 /nfs/dbraw/zinc/74/17/94/342741794.db2.gz MRUOUNUUABGLLW-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000583332830 342735903 /nfs/dbraw/zinc/73/59/03/342735903.db2.gz VLIMVOPGHXUIJI-SECBINFHSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cc(CNC(=O)C2CC(C)(O)C2)cc(C)[nH+]1 ZINC000335611578 136237057 /nfs/dbraw/zinc/23/70/57/136237057.db2.gz FBJSSWWHTKUTPM-UHFFFAOYSA-N 1 2 248.326 1.476 20 0 BDADLO CCCCC(=O)NCCCn1cc[nH+]c1 ZINC000005939323 342771870 /nfs/dbraw/zinc/77/18/70/342771870.db2.gz APZNAJWDUHZTFG-UHFFFAOYSA-N 1 2 209.293 1.580 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621315386 342778479 /nfs/dbraw/zinc/77/84/79/342778479.db2.gz DFKOJPDDFBLQJA-SVRRBLITSA-N 1 2 245.286 1.267 20 0 BDADLO CC(C)(F)C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000634576188 342781515 /nfs/dbraw/zinc/78/15/15/342781515.db2.gz LQTMXRJNGONESJ-SNVBAGLBSA-N 1 2 242.269 1.690 20 0 BDADLO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC000583970686 342785504 /nfs/dbraw/zinc/78/55/04/342785504.db2.gz QUCPJADAQMETNN-NOZJJQNGSA-N 1 2 243.314 1.233 20 0 BDADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccccc1 ZINC000148458369 342790960 /nfs/dbraw/zinc/79/09/60/342790960.db2.gz CMTYNGLKMNGTNB-UHFFFAOYSA-N 1 2 223.257 1.211 20 0 BDADLO CC(C)N(CC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000630026260 361905136 /nfs/dbraw/zinc/90/51/36/361905136.db2.gz DYXKKHUFMSFQPR-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO NC(=O)[C@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000624540835 344002820 /nfs/dbraw/zinc/00/28/20/344002820.db2.gz ZMEUGHKMEFQEOT-XYPYZODXSA-N 1 2 241.294 1.333 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)C[C@H]1CCCO1 ZINC000649489800 398286673 /nfs/dbraw/zinc/28/66/73/398286673.db2.gz HQHMXVONFWFNHV-CYBMUJFWSA-N 1 2 235.331 1.440 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)C[C@H]1CCCO1 ZINC000649489800 398286677 /nfs/dbraw/zinc/28/66/77/398286677.db2.gz HQHMXVONFWFNHV-CYBMUJFWSA-N 1 2 235.331 1.440 20 0 BDADLO COC(=O)c1cc(CNc2ccc[nH+]c2C)on1 ZINC000602575809 349623967 /nfs/dbraw/zinc/62/39/67/349623967.db2.gz XHLCXPGAOXEZIG-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1O ZINC000335463957 398288769 /nfs/dbraw/zinc/28/87/69/398288769.db2.gz XPSAYIKOZTYUAE-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO C[C@@H]1C[C@H](CO)CCN1c1cccc[nH+]1 ZINC000624727082 342822834 /nfs/dbraw/zinc/82/28/34/342822834.db2.gz QBJFOIITNLQYEY-GHMZBOCLSA-N 1 2 206.289 1.679 20 0 BDADLO CCc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc(C)[nH+]1 ZINC000624747048 342823975 /nfs/dbraw/zinc/82/39/75/342823975.db2.gz WAWVVHKTWXVXOZ-ZKYQVNSYSA-N 1 2 247.342 1.697 20 0 BDADLO O[C@@H]1CC[C@H]2CCN(c3[nH]c4ccccc4[nH+]3)[C@@H]12 ZINC000624745475 342824031 /nfs/dbraw/zinc/82/40/31/342824031.db2.gz LMDWYSWIIVXRTE-ZWKOPEQDSA-N 1 2 243.310 1.913 20 0 BDADLO COC(=O)[C@H]([NH2+]CCSC)C(C)C ZINC000128877602 398289652 /nfs/dbraw/zinc/28/96/52/398289652.db2.gz JQVQQBMUTKZXQR-MRVPVSSYSA-N 1 2 205.323 1.137 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccn(C)c1 ZINC000335464493 398289685 /nfs/dbraw/zinc/28/96/85/398289685.db2.gz MMZHOGXNGZEOLG-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccn(C)c1 ZINC000335464493 398289688 /nfs/dbraw/zinc/28/96/88/398289688.db2.gz MMZHOGXNGZEOLG-ZBEGNZNMSA-N 1 2 240.372 1.368 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)nn1C ZINC000335620892 136239739 /nfs/dbraw/zinc/23/97/39/136239739.db2.gz FJYWEKWAFFRSDR-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)nn1C ZINC000335620892 136239740 /nfs/dbraw/zinc/23/97/40/136239740.db2.gz FJYWEKWAFFRSDR-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2ncccn2)[C@H]1C ZINC000192031530 538994250 /nfs/dbraw/zinc/99/42/50/538994250.db2.gz ROFDYDHLWMHJHW-UWVGGRQHSA-N 1 2 223.345 1.802 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2ncccn2)[C@H]1C ZINC000192031530 538994252 /nfs/dbraw/zinc/99/42/52/538994252.db2.gz ROFDYDHLWMHJHW-UWVGGRQHSA-N 1 2 223.345 1.802 20 0 BDADLO C[C@@H](CCn1cccn1)Nc1c[nH]c[nH+]1 ZINC000380100538 538985310 /nfs/dbraw/zinc/98/53/10/538985310.db2.gz LPEDSKYLBXZWOX-VIFPVBQESA-N 1 2 205.265 1.497 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1nccn1C ZINC000381463864 539001313 /nfs/dbraw/zinc/00/13/13/539001313.db2.gz KPBOXRBWGXKMPM-QMMMGPOBSA-N 1 2 219.292 1.302 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(Cl)cnn2C)[nH]n1 ZINC000381374464 538999243 /nfs/dbraw/zinc/99/92/43/538999243.db2.gz JHDXFDNPSRHXTO-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1=CCCOC1 ZINC000390482795 539022675 /nfs/dbraw/zinc/02/26/75/539022675.db2.gz NKQAKWBGGZIBDN-SECBINFHSA-N 1 2 221.304 1.715 20 0 BDADLO COC[C@@H](Nc1ccc(OC)c[nH+]1)C1CC1 ZINC000390505903 539022719 /nfs/dbraw/zinc/02/27/19/539022719.db2.gz WZWXCLUHBAQBMY-LLVKDONJSA-N 1 2 222.288 1.927 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1[nH+]c2ccccc2n1C ZINC000649502255 398297249 /nfs/dbraw/zinc/29/72/49/398297249.db2.gz WFIOAQIOATZYSY-BXKDBHETSA-N 1 2 231.299 1.533 20 0 BDADLO CCc1cc(NC[C@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000388773218 539014968 /nfs/dbraw/zinc/01/49/68/539014968.db2.gz URVAMLBSICSDEC-QWRGUYRKSA-N 1 2 235.331 1.688 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H](C)C1)CC2 ZINC000625038540 342844801 /nfs/dbraw/zinc/84/48/01/342844801.db2.gz AYDYIOJBNVHHQV-CMPLNLGQSA-N 1 2 247.342 1.622 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cs1 ZINC000335645152 136243426 /nfs/dbraw/zinc/24/34/26/136243426.db2.gz AYIKVTGRZWPRCX-PWSUYJOCSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)cs1 ZINC000335645152 136243427 /nfs/dbraw/zinc/24/34/27/136243427.db2.gz AYIKVTGRZWPRCX-PWSUYJOCSA-N 1 2 241.356 1.638 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@]23CCOC3)no1 ZINC000367062192 136242535 /nfs/dbraw/zinc/24/25/35/136242535.db2.gz KRAYVUZIIHOFQN-LBPRGKRZSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@]23CCOC3)no1 ZINC000367062192 136242536 /nfs/dbraw/zinc/24/25/36/136242536.db2.gz KRAYVUZIIHOFQN-LBPRGKRZSA-N 1 2 237.303 1.387 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](OC(C)C)C2)o1 ZINC000583991890 342852222 /nfs/dbraw/zinc/85/22/22/342852222.db2.gz BOXHLDFGCDKZOF-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](OC(C)C)C2)o1 ZINC000583991890 342852224 /nfs/dbraw/zinc/85/22/24/342852224.db2.gz BOXHLDFGCDKZOF-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CC1(F)F ZINC000618596922 342852495 /nfs/dbraw/zinc/85/24/95/342852495.db2.gz ZZAAMRNJWXSUPX-SNVBAGLBSA-N 1 2 243.257 1.124 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)no1 ZINC000519388940 398304579 /nfs/dbraw/zinc/30/45/79/398304579.db2.gz PIFYHJJMSDXNOZ-CIUDSAMLSA-N 1 2 243.307 1.026 20 0 BDADLO CC[C@]1(C)COCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493081389 529407971 /nfs/dbraw/zinc/40/79/71/529407971.db2.gz GYKOMCXGGPOZCT-DSYXLKISSA-N 1 2 249.314 1.450 20 0 BDADLO CCn1cc(CN(C)c2cc[nH+]c(C)n2)cn1 ZINC000078260091 398308957 /nfs/dbraw/zinc/30/89/57/398308957.db2.gz GASVGEUFSCQKFD-UHFFFAOYSA-N 1 2 231.303 1.638 20 0 BDADLO CC[C@H]1CCC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631291621 342897473 /nfs/dbraw/zinc/89/74/73/342897473.db2.gz UXRNKFYHLUJHOD-VHSXEESVSA-N 1 2 235.335 1.253 20 0 BDADLO CC[C@H]1CCC[C@@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631291621 342897475 /nfs/dbraw/zinc/89/74/75/342897475.db2.gz UXRNKFYHLUJHOD-VHSXEESVSA-N 1 2 235.335 1.253 20 0 BDADLO C[N@H+](CCOC1CCOCC1)Cc1cc[nH]n1 ZINC000625162651 342898565 /nfs/dbraw/zinc/89/85/65/342898565.db2.gz YXSZSCZSECIUSK-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO C[N@@H+](CCOC1CCOCC1)Cc1cc[nH]n1 ZINC000625162651 342898567 /nfs/dbraw/zinc/89/85/67/342898567.db2.gz YXSZSCZSECIUSK-UHFFFAOYSA-N 1 2 239.319 1.037 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C)C2 ZINC000336414509 398318587 /nfs/dbraw/zinc/31/85/87/398318587.db2.gz QWXKMKWTBRWZJT-VIFPVBQESA-N 1 2 235.331 1.726 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C)CC2 ZINC000336414509 398318588 /nfs/dbraw/zinc/31/85/88/398318588.db2.gz QWXKMKWTBRWZJT-VIFPVBQESA-N 1 2 235.331 1.726 20 0 BDADLO Cc1ccc(CCNC(=O)CCn2cc[nH+]c2)o1 ZINC000625130721 342883710 /nfs/dbraw/zinc/88/37/10/342883710.db2.gz CJABIOIYMIPJJN-UHFFFAOYSA-N 1 2 247.298 1.534 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CC1)c1cccs1 ZINC000041672583 398320989 /nfs/dbraw/zinc/32/09/89/398320989.db2.gz RMIXJXLVMXRJKH-JTQLQIEISA-N 1 2 225.313 1.962 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000625206337 342911758 /nfs/dbraw/zinc/91/17/58/342911758.db2.gz SELRSCVRCUYSIA-PHIMTYICSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000625206337 342911759 /nfs/dbraw/zinc/91/17/59/342911759.db2.gz SELRSCVRCUYSIA-PHIMTYICSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1noc(C[N@@H+](C)CCCOC(C)C)n1 ZINC000351517004 136246550 /nfs/dbraw/zinc/24/65/50/136246550.db2.gz HYQUIXNUXMTKNG-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1noc(C[N@H+](C)CCCOC(C)C)n1 ZINC000351517004 136246551 /nfs/dbraw/zinc/24/65/51/136246551.db2.gz HYQUIXNUXMTKNG-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccns1 ZINC000602616246 349637803 /nfs/dbraw/zinc/63/78/03/349637803.db2.gz SPQCILTYYLZKNE-CLAHSXSESA-N 1 2 232.374 1.342 20 0 BDADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccns1 ZINC000602616246 349637805 /nfs/dbraw/zinc/63/78/05/349637805.db2.gz SPQCILTYYLZKNE-CLAHSXSESA-N 1 2 232.374 1.342 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000351599218 136247545 /nfs/dbraw/zinc/24/75/45/136247545.db2.gz CUYUAZCXYBLXDV-JMJZKYOTSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2O)no1 ZINC000351599218 136247546 /nfs/dbraw/zinc/24/75/46/136247546.db2.gz CUYUAZCXYBLXDV-JMJZKYOTSA-N 1 2 239.319 1.674 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000625222205 342919689 /nfs/dbraw/zinc/91/96/89/342919689.db2.gz PWXZLFGGKSSUEE-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1nnc[nH]1)C1CC1 ZINC000625222205 342919690 /nfs/dbraw/zinc/91/96/90/342919690.db2.gz PWXZLFGGKSSUEE-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)CC[C@H]1C ZINC000351625843 136248506 /nfs/dbraw/zinc/24/85/06/136248506.db2.gz CHIRMRYXMKDWLX-WCABBAIRSA-N 1 2 239.319 1.796 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2noc(C)n2)CC[C@H]1C ZINC000351625843 136248507 /nfs/dbraw/zinc/24/85/07/136248507.db2.gz CHIRMRYXMKDWLX-WCABBAIRSA-N 1 2 239.319 1.796 20 0 BDADLO COC[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)OC ZINC000602635875 349650349 /nfs/dbraw/zinc/65/03/49/349650349.db2.gz SCSPIACENROEHH-WYUUTHIRSA-N 1 2 241.331 1.200 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000115576036 398328150 /nfs/dbraw/zinc/32/81/50/398328150.db2.gz NZUQMHMJRFWIPO-ZDUSSCGKSA-N 1 2 248.326 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000115576036 398328152 /nfs/dbraw/zinc/32/81/52/398328152.db2.gz NZUQMHMJRFWIPO-ZDUSSCGKSA-N 1 2 248.326 1.396 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OCC ZINC000602637266 349651098 /nfs/dbraw/zinc/65/10/98/349651098.db2.gz LFFQDEMHXQCQFG-KWYUOAOASA-N 1 2 243.347 1.897 20 0 BDADLO CCc1ccccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634589346 342935139 /nfs/dbraw/zinc/93/51/39/342935139.db2.gz VWCZMKFTTHVEPT-NSHDSACASA-N 1 2 243.310 1.561 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](CC(C)C)OC ZINC000602642824 349655188 /nfs/dbraw/zinc/65/51/88/349655188.db2.gz AGWPWVDUFKIAGU-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@H](C)C2)nc(N)[nH+]1 ZINC000304458022 398336501 /nfs/dbraw/zinc/33/65/01/398336501.db2.gz LQOHPRHZBMBANA-CBAPKCEASA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000304458022 398336502 /nfs/dbraw/zinc/33/65/02/398336502.db2.gz LQOHPRHZBMBANA-CBAPKCEASA-N 1 2 221.308 1.610 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000353609802 398337934 /nfs/dbraw/zinc/33/79/34/398337934.db2.gz PJYQPOMHOHOTEN-VXGBXAGGSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000353609802 398337935 /nfs/dbraw/zinc/33/79/35/398337935.db2.gz PJYQPOMHOHOTEN-VXGBXAGGSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)c1[nH]c(C[NH2+]CC(C)(F)F)cc1C ZINC000602676646 349670080 /nfs/dbraw/zinc/67/00/80/349670080.db2.gz UUPIDZHDGRGTIY-UHFFFAOYSA-N 1 2 246.257 1.855 20 0 BDADLO Cc1ccc(NC(=O)NC(C)(C)CO)c(C)[nH+]1 ZINC000125792504 398339526 /nfs/dbraw/zinc/33/95/26/398339526.db2.gz WPVZACOWHRDVKM-UHFFFAOYSA-N 1 2 237.303 1.591 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000492901428 529457074 /nfs/dbraw/zinc/45/70/74/529457074.db2.gz PGHLJEMOIFWUQJ-CYLBZQBVSA-N 1 2 249.314 1.497 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000492901430 529457836 /nfs/dbraw/zinc/45/78/36/529457836.db2.gz PGHLJEMOIFWUQJ-YGABWQLJSA-N 1 2 249.314 1.497 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCO1 ZINC000492901427 529458055 /nfs/dbraw/zinc/45/80/55/529458055.db2.gz PGHLJEMOIFWUQJ-ABZJQCSKSA-N 1 2 249.314 1.497 20 0 BDADLO FC(F)CN1CC[NH+](Cc2ccco2)CC1 ZINC000112976182 398332562 /nfs/dbraw/zinc/33/25/62/398332562.db2.gz CYXIMFUZGNFNNR-UHFFFAOYSA-N 1 2 230.258 1.662 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000602682866 349675478 /nfs/dbraw/zinc/67/54/78/349675478.db2.gz SOORZIQHEXNPHI-VGMNWLOBSA-N 1 2 235.274 1.960 20 0 BDADLO CCc1cc(N[C@H](CC)COC)nc[nH+]1 ZINC000070625999 398343149 /nfs/dbraw/zinc/34/31/49/398343149.db2.gz FQWNXMJTWRBDBO-SNVBAGLBSA-N 1 2 209.293 1.876 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000351801412 136253267 /nfs/dbraw/zinc/25/32/67/136253267.db2.gz CLCHXNNYJFZTFN-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)o1 ZINC000351782364 136254312 /nfs/dbraw/zinc/25/43/12/136254312.db2.gz QCAYJNMVWOSRAS-RKDXNWHRSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@H](O)C2)o1 ZINC000351782364 136254313 /nfs/dbraw/zinc/25/43/13/136254313.db2.gz QCAYJNMVWOSRAS-RKDXNWHRSA-N 1 2 225.292 1.006 20 0 BDADLO CC[C@H]1C[N@H+](Cc2snnc2C)C[C@@H](C)O1 ZINC000580316135 346901223 /nfs/dbraw/zinc/90/12/23/346901223.db2.gz WHCPEOCZFVOUCI-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2snnc2C)C[C@@H](C)O1 ZINC000580316135 346901225 /nfs/dbraw/zinc/90/12/25/346901225.db2.gz WHCPEOCZFVOUCI-SCZZXKLOSA-N 1 2 241.360 1.846 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1nccn1C ZINC000493599549 529556040 /nfs/dbraw/zinc/55/60/40/529556040.db2.gz TWTPWZCIEKRCNJ-SNAWJCMRSA-N 1 2 245.286 1.288 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)C1CC1 ZINC000492487322 529556074 /nfs/dbraw/zinc/55/60/74/529556074.db2.gz CNCZKPAOPDQNOU-SREVYHEPSA-N 1 2 219.288 1.537 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]1C1CC1 ZINC000493267857 529558118 /nfs/dbraw/zinc/55/81/18/529558118.db2.gz OSMVNUAPZGWTHH-FOQNGQEVSA-N 1 2 245.326 1.927 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1[C@H](C)C[C@H]1C ZINC000491966069 529558653 /nfs/dbraw/zinc/55/86/53/529558653.db2.gz UODCOGBPGMCFBQ-ADRPCIBZSA-N 1 2 233.315 1.926 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1CC12CC2 ZINC000493470451 529559653 /nfs/dbraw/zinc/55/96/53/529559653.db2.gz WCWUKSLCWNNHPA-BYCRGOAPSA-N 1 2 245.326 1.833 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000351845788 136257149 /nfs/dbraw/zinc/25/71/49/136257149.db2.gz WFOKVQUKOMRPCC-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000351845788 136257150 /nfs/dbraw/zinc/25/71/50/136257150.db2.gz WFOKVQUKOMRPCC-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO CCOC1CC(CN2CC[NH+](CC)CC2)C1 ZINC000351850657 136257554 /nfs/dbraw/zinc/25/75/54/136257554.db2.gz HIXBNWCFBNRAMA-UHFFFAOYSA-N 1 2 226.364 1.439 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000335901341 136259398 /nfs/dbraw/zinc/25/93/98/136259398.db2.gz RUHUETFECRDJIA-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000335901341 136259399 /nfs/dbraw/zinc/25/93/99/136259399.db2.gz RUHUETFECRDJIA-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO C[C@@H]1CCC[C@H](n2[nH]c3c(c2=O)C[NH2+]CC3)C1 ZINC000634599548 342988758 /nfs/dbraw/zinc/98/87/58/342988758.db2.gz KYTOGGRZBIZPSM-OUAUKWLOSA-N 1 2 235.331 1.373 20 0 BDADLO COC(=O)c1oc(CNCc2[nH]cc[nH+]2)cc1C ZINC000602732916 349719125 /nfs/dbraw/zinc/71/91/25/349719125.db2.gz UUBHKADOWWEMLG-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC(=O)c1oc(C[NH2+]Cc2ncc[nH]2)cc1C ZINC000602732916 349719128 /nfs/dbraw/zinc/71/91/28/349719128.db2.gz UUBHKADOWWEMLG-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000602794199 349735758 /nfs/dbraw/zinc/73/57/58/349735758.db2.gz MBECKCQOBYPUGZ-UHFFFAOYSA-N 1 2 245.326 1.553 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2ccc(O)cc2C1 ZINC000602794199 349735760 /nfs/dbraw/zinc/73/57/60/349735760.db2.gz MBECKCQOBYPUGZ-UHFFFAOYSA-N 1 2 245.326 1.553 20 0 BDADLO CCN(C#N)CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000602795261 349736779 /nfs/dbraw/zinc/73/67/79/349736779.db2.gz ACSRMASYDUANQT-UHFFFAOYSA-N 1 2 229.274 1.520 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000602773854 349727411 /nfs/dbraw/zinc/72/74/11/349727411.db2.gz XAWWWXXHSIGOLM-SECBINFHSA-N 1 2 229.320 1.343 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccccc1OC ZINC000602760537 349732699 /nfs/dbraw/zinc/73/26/99/349732699.db2.gz QOBPLWRGMFWZFP-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccccc1OC ZINC000602760537 349732702 /nfs/dbraw/zinc/73/27/02/349732702.db2.gz QOBPLWRGMFWZFP-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCN(C#N)CC ZINC000602762075 349733282 /nfs/dbraw/zinc/73/32/82/349733282.db2.gz GPRRAHIUHRZFAN-VXGBXAGGSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CCN(C#N)CC ZINC000602762075 349733284 /nfs/dbraw/zinc/73/32/84/349733284.db2.gz GPRRAHIUHRZFAN-VXGBXAGGSA-N 1 2 225.336 1.289 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602792374 349735451 /nfs/dbraw/zinc/73/54/51/349735451.db2.gz PJAIYQQKUNBRRR-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602792374 349735454 /nfs/dbraw/zinc/73/54/54/349735454.db2.gz PJAIYQQKUNBRRR-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602819928 349761250 /nfs/dbraw/zinc/76/12/50/349761250.db2.gz FVXHPMGOGANIIF-NXEZZACHSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602819928 349761254 /nfs/dbraw/zinc/76/12/54/349761254.db2.gz FVXHPMGOGANIIF-NXEZZACHSA-N 1 2 229.320 1.295 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000602823029 349763288 /nfs/dbraw/zinc/76/32/88/349763288.db2.gz UHMJCLWLHBLHIZ-WCQYABFASA-N 1 2 237.347 1.289 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000602823029 349763292 /nfs/dbraw/zinc/76/32/92/349763292.db2.gz UHMJCLWLHBLHIZ-WCQYABFASA-N 1 2 237.347 1.289 20 0 BDADLO CCOC(=O)C[N@H+](CC)C[C@H]1CCCCO1 ZINC000049948248 343019323 /nfs/dbraw/zinc/01/93/23/343019323.db2.gz HPIOCUNXZXNGBH-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C[C@H]1CCCCO1 ZINC000049948248 343019324 /nfs/dbraw/zinc/01/93/24/343019324.db2.gz HPIOCUNXZXNGBH-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000602781560 349747364 /nfs/dbraw/zinc/74/73/64/349747364.db2.gz AYXIHWMYEMSCKI-NSHDSACASA-N 1 2 225.336 1.289 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000602781560 349747366 /nfs/dbraw/zinc/74/73/66/349747366.db2.gz AYXIHWMYEMSCKI-NSHDSACASA-N 1 2 225.336 1.289 20 0 BDADLO CCCC[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000046092929 343021065 /nfs/dbraw/zinc/02/10/65/343021065.db2.gz JFOQKOAXKMLWAI-UHFFFAOYSA-N 1 2 235.335 1.773 20 0 BDADLO CCCC[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000046092929 343021066 /nfs/dbraw/zinc/02/10/66/343021066.db2.gz JFOQKOAXKMLWAI-UHFFFAOYSA-N 1 2 235.335 1.773 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C(C)C ZINC000602809425 349753431 /nfs/dbraw/zinc/75/34/31/349753431.db2.gz HKTWKFPNGZJQGW-WDEREUQCSA-N 1 2 243.347 1.589 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000602814082 349756696 /nfs/dbraw/zinc/75/66/96/349756696.db2.gz CBXMHFYDQGKTPZ-LBPRGKRZSA-N 1 2 225.336 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@@](C)(CC)C1 ZINC000602814082 349756697 /nfs/dbraw/zinc/75/66/97/349756697.db2.gz CBXMHFYDQGKTPZ-LBPRGKRZSA-N 1 2 225.336 1.290 20 0 BDADLO CCC(F)(F)C[NH2+]C1(CC(=O)OC)CC1 ZINC000602862576 349774352 /nfs/dbraw/zinc/77/43/52/349774352.db2.gz KMTNPFPMRUSVSP-UHFFFAOYSA-N 1 2 221.247 1.717 20 0 BDADLO CCC[C@H]1C(=O)N(CCCn2cc[nH+]c2)N=C1C ZINC000634634212 343047005 /nfs/dbraw/zinc/04/70/05/343047005.db2.gz RSAGIBDYKXZEAX-GFCCVEGCSA-N 1 2 248.330 1.908 20 0 BDADLO O=C1[C@H]2CCCCC2=NN1CCCn1cc[nH+]c1 ZINC000634634200 343047165 /nfs/dbraw/zinc/04/71/65/343047165.db2.gz REAAPQTYRAAKQS-NSHDSACASA-N 1 2 246.314 1.662 20 0 BDADLO CC1(C)C[N@H+](Cc2csnn2)CC[C@H]1O ZINC000308815306 346922438 /nfs/dbraw/zinc/92/24/38/346922438.db2.gz PCDFTRBARIQKMR-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[N@@H+](Cc2csnn2)CC[C@H]1O ZINC000308815306 346922440 /nfs/dbraw/zinc/92/24/40/346922440.db2.gz PCDFTRBARIQKMR-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1nc(C)cs1 ZINC000038091450 343061856 /nfs/dbraw/zinc/06/18/56/343061856.db2.gz GZLVHBQECSEEHR-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@H]1CCO[C@@H]1C ZINC000634547525 362038369 /nfs/dbraw/zinc/03/83/69/362038369.db2.gz SRXWBTFXBRVFJV-RKDXNWHRSA-N 1 2 247.302 1.293 20 0 BDADLO C[C@@H](CNc1ncccn1)Cn1cc[nH+]c1 ZINC000067447645 362029883 /nfs/dbraw/zinc/02/98/83/362029883.db2.gz ZTFCLBJNPXOIAR-JTQLQIEISA-N 1 2 217.276 1.421 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](C)CCCO ZINC000384366551 343101052 /nfs/dbraw/zinc/10/10/52/343101052.db2.gz GXYSDHNTGBXZEQ-JTQLQIEISA-N 1 2 224.304 1.911 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000309954514 343108425 /nfs/dbraw/zinc/10/84/25/343108425.db2.gz HRQFSCSRNBFIJH-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000640937861 362080803 /nfs/dbraw/zinc/08/08/03/362080803.db2.gz CIMXVQNZFJEBOV-VIFPVBQESA-N 1 2 205.265 1.494 20 0 BDADLO CCOc1cccc(CNc2c[nH]c[nH+]2)n1 ZINC000309971216 343114002 /nfs/dbraw/zinc/11/40/02/343114002.db2.gz PPRDHOZVIZNOAA-UHFFFAOYSA-N 1 2 218.260 1.816 20 0 BDADLO C[NH+](C)Cc1nc(COC2CCC2)no1 ZINC000634672215 343114767 /nfs/dbraw/zinc/11/47/67/343114767.db2.gz LBMBQISLADIBAM-UHFFFAOYSA-N 1 2 211.265 1.200 20 0 BDADLO c1cn(Cc2cn([C@@H]3C=CCCC3)nn2)c[nH+]1 ZINC000640946410 362088486 /nfs/dbraw/zinc/08/84/86/362088486.db2.gz YNSICPJJESWADV-GFCCVEGCSA-N 1 2 229.287 1.804 20 0 BDADLO CO[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000170540857 136270216 /nfs/dbraw/zinc/27/02/16/136270216.db2.gz AJWKTUZBJIZKDK-SECBINFHSA-N 1 2 217.272 1.788 20 0 BDADLO CC[C@@H]1C[N@H+](CCN(C#N)CC)[C@H](C)CO1 ZINC000602866031 349798136 /nfs/dbraw/zinc/79/81/36/349798136.db2.gz MONTYESDHBOPAY-VXGBXAGGSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@@H]1C[N@@H+](CCN(C#N)CC)[C@H](C)CO1 ZINC000602866031 349798140 /nfs/dbraw/zinc/79/81/40/349798140.db2.gz MONTYESDHBOPAY-VXGBXAGGSA-N 1 2 225.336 1.289 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@@H](O)COC)cs1 ZINC000050119149 343134725 /nfs/dbraw/zinc/13/47/25/343134725.db2.gz QGXIXRSNKGELKU-SNVBAGLBSA-N 1 2 244.360 1.145 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@@H](O)COC)cs1 ZINC000050119149 343134727 /nfs/dbraw/zinc/13/47/27/343134727.db2.gz QGXIXRSNKGELKU-SNVBAGLBSA-N 1 2 244.360 1.145 20 0 BDADLO CCCOCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421576013 192355018 /nfs/dbraw/zinc/35/50/18/192355018.db2.gz LGQMPZGIWWRAGD-UHFFFAOYSA-N 1 2 236.315 1.741 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000245405340 136272355 /nfs/dbraw/zinc/27/23/55/136272355.db2.gz SKPHGBVQCPGZOO-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000245405340 136272356 /nfs/dbraw/zinc/27/23/56/136272356.db2.gz SKPHGBVQCPGZOO-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@@H](NC(=O)Cc1ccsc1)c1[nH]cc[nH+]1 ZINC000125358910 343172984 /nfs/dbraw/zinc/17/29/84/343172984.db2.gz FTECPXUGMFCHKD-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125389854 343173457 /nfs/dbraw/zinc/17/34/57/343173457.db2.gz DFFRXJCLQCWDKI-RKDXNWHRSA-N 1 2 209.293 1.879 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000125397083 343173602 /nfs/dbraw/zinc/17/36/02/343173602.db2.gz LLQJMJNLZDZAEY-RKDXNWHRSA-N 1 2 223.276 1.156 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1cccc(O)c1 ZINC000394982652 362117181 /nfs/dbraw/zinc/11/71/81/362117181.db2.gz IVQMRZZPZDNWHV-UHFFFAOYSA-N 1 2 246.314 1.854 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332815881 343216244 /nfs/dbraw/zinc/21/62/44/343216244.db2.gz ZMAITFLQVQPMSD-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332815881 343216246 /nfs/dbraw/zinc/21/62/46/343216246.db2.gz ZMAITFLQVQPMSD-GMTAPVOTSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@H](C)[C@@H](C)Nc1nc[nH+]c(N)c1OC ZINC000134844544 343191161 /nfs/dbraw/zinc/19/11/61/343191161.db2.gz QPHJUCSONMWMOQ-JGVFFNPUSA-N 1 2 224.308 1.914 20 0 BDADLO CC[C@H](C)[C@@H](C)Nc1[nH+]cnc(N)c1OC ZINC000134844544 343191163 /nfs/dbraw/zinc/19/11/63/343191163.db2.gz QPHJUCSONMWMOQ-JGVFFNPUSA-N 1 2 224.308 1.914 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCSC ZINC000134896074 343191769 /nfs/dbraw/zinc/19/17/69/343191769.db2.gz GUBSYVXKRGUCDP-UHFFFAOYSA-N 1 2 228.321 1.232 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCSC ZINC000134896074 343191770 /nfs/dbraw/zinc/19/17/70/343191770.db2.gz GUBSYVXKRGUCDP-UHFFFAOYSA-N 1 2 228.321 1.232 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H](C)C(C)C ZINC000134902689 343191961 /nfs/dbraw/zinc/19/19/61/343191961.db2.gz YPLXNBKNBOLPKB-QMMMGPOBSA-N 1 2 224.308 1.771 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H](C)C(C)C ZINC000134902689 343191963 /nfs/dbraw/zinc/19/19/63/343191963.db2.gz YPLXNBKNBOLPKB-QMMMGPOBSA-N 1 2 224.308 1.771 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CCC1)CC2 ZINC000625351293 343244936 /nfs/dbraw/zinc/24/49/36/343244936.db2.gz CEKOOQVVXIUQQG-SNVBAGLBSA-N 1 2 233.315 1.423 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000051736777 343259723 /nfs/dbraw/zinc/25/97/23/343259723.db2.gz YWUSSKHGOGIIET-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000051736777 343259726 /nfs/dbraw/zinc/25/97/26/343259726.db2.gz YWUSSKHGOGIIET-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C12CC(C1)C2 ZINC000625372037 343359528 /nfs/dbraw/zinc/35/95/28/343359528.db2.gz WJPPMGRRGCNWEZ-UHFFFAOYSA-N 1 2 205.261 1.168 20 0 BDADLO COCc1cccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000038010698 343365492 /nfs/dbraw/zinc/36/54/92/343365492.db2.gz VKYLKUVMKOLWGU-UHFFFAOYSA-N 1 2 231.299 1.846 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@@](F)(CO)C2)n1C ZINC000349013476 136311891 /nfs/dbraw/zinc/31/18/91/136311891.db2.gz VKPKEWZRIQDOAM-LBPRGKRZSA-N 1 2 241.310 1.025 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nn1 ZINC000335689382 136324101 /nfs/dbraw/zinc/32/41/01/136324101.db2.gz OSTYQWBYWGRNQQ-APPZFPTMSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn(C)nn1 ZINC000335689382 136324102 /nfs/dbraw/zinc/32/41/02/136324102.db2.gz OSTYQWBYWGRNQQ-APPZFPTMSA-N 1 2 248.252 1.588 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000335696849 136327229 /nfs/dbraw/zinc/32/72/29/136327229.db2.gz ZYWOPOCMJFWWJD-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)CC2CCC2)CCO1 ZINC000525709849 259359561 /nfs/dbraw/zinc/35/95/61/259359561.db2.gz UONAZHCPDITFAX-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)CC2CCC2)CCO1 ZINC000525709849 259359562 /nfs/dbraw/zinc/35/95/62/259359562.db2.gz UONAZHCPDITFAX-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1cc(NC(=O)C[C@H]2C[C@H]2C)cc[nH+]1 ZINC000335724022 136346412 /nfs/dbraw/zinc/34/64/12/136346412.db2.gz KRDYZYUMLYZHMY-PSASIEDQSA-N 1 2 204.273 1.797 20 0 BDADLO CCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042511244 343441253 /nfs/dbraw/zinc/44/12/53/343441253.db2.gz DOPQBPUPUCSXSQ-SNVBAGLBSA-N 1 2 209.293 1.578 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616412591 343426639 /nfs/dbraw/zinc/42/66/39/343426639.db2.gz BQEUFJSVXWAFKN-KWQFWETISA-N 1 2 231.299 1.183 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616412591 343426640 /nfs/dbraw/zinc/42/66/40/343426640.db2.gz BQEUFJSVXWAFKN-KWQFWETISA-N 1 2 231.299 1.183 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCSCC2)s1 ZINC000335729417 136348242 /nfs/dbraw/zinc/34/82/42/136348242.db2.gz HBUCUAQEAHQHDA-ZETCQYMHSA-N 1 2 229.374 1.956 20 0 BDADLO Cc1ccc(N[C@H]2CCC(=O)NC2(C)C)c[nH+]1 ZINC000335681388 136328865 /nfs/dbraw/zinc/32/88/65/136328865.db2.gz JOVXVBLTLBFCHW-NSHDSACASA-N 1 2 233.315 1.859 20 0 BDADLO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccon2)C1=O ZINC000349246581 136332612 /nfs/dbraw/zinc/33/26/12/136332612.db2.gz TUCJVNMEQFDGLN-ONGXEEELSA-N 1 2 237.303 1.335 20 0 BDADLO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccon1 ZINC000349253764 136333231 /nfs/dbraw/zinc/33/32/31/136333231.db2.gz XIQXAUGZHFKQEX-JTQLQIEISA-N 1 2 237.303 1.338 20 0 BDADLO Cc1nnc(C[N@@H+]2CCc3cc(C)ccc3C2)[nH]1 ZINC000335700443 136333441 /nfs/dbraw/zinc/33/34/41/136333441.db2.gz YMUXXASCGOICEE-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1nnc(C[N@H+]2CCc3cc(C)ccc3C2)[nH]1 ZINC000335700443 136333442 /nfs/dbraw/zinc/33/34/42/136333442.db2.gz YMUXXASCGOICEE-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C1=CCC(Cn2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000641080925 362196820 /nfs/dbraw/zinc/19/68/20/362196820.db2.gz XNFVCDFPOUJLNJ-UHFFFAOYSA-N 1 2 229.287 1.489 20 0 BDADLO Cc1cc(CC[NH2+][C@H](C)Cn2cccn2)on1 ZINC000353978658 136361942 /nfs/dbraw/zinc/36/19/42/136361942.db2.gz MMTFEKBZGLCCMZ-LLVKDONJSA-N 1 2 234.303 1.400 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccs1 ZINC000082681533 343459839 /nfs/dbraw/zinc/45/98/39/343459839.db2.gz URKCLLUKAZIKLR-UHFFFAOYSA-N 1 2 221.285 1.743 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000351003630 136366656 /nfs/dbraw/zinc/36/66/56/136366656.db2.gz UKZDUUUMPVXOAA-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000351003630 136366657 /nfs/dbraw/zinc/36/66/57/136366657.db2.gz UKZDUUUMPVXOAA-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO CC(C)/C=C/c1cn(CCn2cc[nH+]c2)nn1 ZINC000641124288 362230968 /nfs/dbraw/zinc/23/09/68/362230968.db2.gz YWCDPGRYILVYMV-ONEGZZNKSA-N 1 2 231.303 1.844 20 0 BDADLO CC(C)(C)c1cn(CCn2cc[nH+]c2)nn1 ZINC000641122835 362231448 /nfs/dbraw/zinc/23/14/48/362231448.db2.gz BGYZHQJYYCUUNR-UHFFFAOYSA-N 1 2 219.292 1.472 20 0 BDADLO CN(C)C(=O)C[NH2+]CC1CC2CCC1C2 ZINC000250354038 136373686 /nfs/dbraw/zinc/37/36/86/136373686.db2.gz XNJDDIKZOUGDGK-GARJFASQSA-N 1 2 210.321 1.100 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000616490340 343473932 /nfs/dbraw/zinc/47/39/32/343473932.db2.gz SCKWVIIHWHWFEL-VIFPVBQESA-N 1 2 235.331 1.772 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000616490340 343473936 /nfs/dbraw/zinc/47/39/36/343473936.db2.gz SCKWVIIHWHWFEL-VIFPVBQESA-N 1 2 235.331 1.772 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1scnc1C ZINC000070836767 343466781 /nfs/dbraw/zinc/46/67/81/343466781.db2.gz DFSFFDGSBZTKNC-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO Cc1cc(CNC(=O)Cn2cc[nH+]c2)ccc1F ZINC000027969916 343538187 /nfs/dbraw/zinc/53/81/87/343538187.db2.gz PPLBDQSTYPPAMK-UHFFFAOYSA-N 1 2 247.273 1.647 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616724527 343551099 /nfs/dbraw/zinc/55/10/99/343551099.db2.gz PQRNCEZRZGPPHJ-AAEUAGOBSA-N 1 2 247.342 1.754 20 0 BDADLO C[C@@H](O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000048235451 343573103 /nfs/dbraw/zinc/57/31/03/343573103.db2.gz VUKCDJISDUDCLO-TZMCWYRMSA-N 1 2 234.343 1.356 20 0 BDADLO C[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000048235451 343573105 /nfs/dbraw/zinc/57/31/05/343573105.db2.gz VUKCDJISDUDCLO-TZMCWYRMSA-N 1 2 234.343 1.356 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602899199 349815981 /nfs/dbraw/zinc/81/59/81/349815981.db2.gz NYRCTYNXFIEABT-GFCCVEGCSA-N 1 2 245.330 1.416 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602899199 349815984 /nfs/dbraw/zinc/81/59/84/349815984.db2.gz NYRCTYNXFIEABT-GFCCVEGCSA-N 1 2 245.330 1.416 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)C1CC1 ZINC000048113735 343571402 /nfs/dbraw/zinc/57/14/02/343571402.db2.gz LOVCLZOLEANTQG-UWVGGRQHSA-N 1 2 236.319 1.369 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccn1 ZINC000580566670 365772387 /nfs/dbraw/zinc/77/23/87/365772387.db2.gz APBARIWFRZEEMA-SECBINFHSA-N 1 2 230.271 1.622 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccn1 ZINC000580566670 365772391 /nfs/dbraw/zinc/77/23/91/365772391.db2.gz APBARIWFRZEEMA-SECBINFHSA-N 1 2 230.271 1.622 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cncc(F)c2)[nH]1 ZINC000494563954 529745262 /nfs/dbraw/zinc/74/52/62/529745262.db2.gz JJVVSRNDBSGZOC-MRVPVSSYSA-N 1 2 249.293 1.752 20 0 BDADLO CC(C)[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000620041173 343591815 /nfs/dbraw/zinc/59/18/15/343591815.db2.gz IEHUTMVAMWEWBU-CYBMUJFWSA-N 1 2 235.331 1.513 20 0 BDADLO CC(C)[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000620041174 343591829 /nfs/dbraw/zinc/59/18/29/343591829.db2.gz IEHUTMVAMWEWBU-ZDUSSCGKSA-N 1 2 235.331 1.513 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccn1C ZINC000049138233 343593807 /nfs/dbraw/zinc/59/38/07/343593807.db2.gz HOHOUIWRGJAVKO-GFCCVEGCSA-N 1 2 238.331 1.702 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)CC(C)C)oc1C ZINC000049238814 343595033 /nfs/dbraw/zinc/59/50/33/343595033.db2.gz JTKXZNIPRARPQS-UHFFFAOYSA-N 1 2 239.319 1.235 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)CC(C)C)oc1C ZINC000049238814 343595035 /nfs/dbraw/zinc/59/50/35/343595035.db2.gz JTKXZNIPRARPQS-UHFFFAOYSA-N 1 2 239.319 1.235 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC1CC1 ZINC000049269667 343595144 /nfs/dbraw/zinc/59/51/44/343595144.db2.gz AQLFGGPVWFDNFL-SNVBAGLBSA-N 1 2 236.319 1.323 20 0 BDADLO COc1ccccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000622745598 343606084 /nfs/dbraw/zinc/60/60/84/343606084.db2.gz PUYCYTTXTBYCCA-UHFFFAOYSA-N 1 2 245.282 1.691 20 0 BDADLO COc1ccccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000622745598 343606086 /nfs/dbraw/zinc/60/60/86/343606086.db2.gz PUYCYTTXTBYCCA-UHFFFAOYSA-N 1 2 245.282 1.691 20 0 BDADLO Cn1c[nH+]cc1C[N@@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634697015 343635457 /nfs/dbraw/zinc/63/54/57/343635457.db2.gz WYTINUXNJHMCSM-UHFFFAOYSA-N 1 2 235.287 1.002 20 0 BDADLO Cn1c[nH+]cc1C[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634697015 343635458 /nfs/dbraw/zinc/63/54/58/343635458.db2.gz WYTINUXNJHMCSM-UHFFFAOYSA-N 1 2 235.287 1.002 20 0 BDADLO CC(C)(CO)CNc1nc[nH+]c(N)c1Cl ZINC000232527997 537798959 /nfs/dbraw/zinc/79/89/59/537798959.db2.gz ZYRAHBIDCFVBLT-UHFFFAOYSA-N 1 2 230.699 1.143 20 0 BDADLO CC(C)(CO)CNc1[nH+]cnc(N)c1Cl ZINC000232527997 537798965 /nfs/dbraw/zinc/79/89/65/537798965.db2.gz ZYRAHBIDCFVBLT-UHFFFAOYSA-N 1 2 230.699 1.143 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000125730000 343653604 /nfs/dbraw/zinc/65/36/04/343653604.db2.gz QOMNROYNCGCKGS-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000125730000 343653608 /nfs/dbraw/zinc/65/36/08/343653608.db2.gz QOMNROYNCGCKGS-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C[C@H](C)CC)C(=O)OC ZINC000576041492 343699553 /nfs/dbraw/zinc/69/95/53/343699553.db2.gz GRCZUMATSRQEEU-WOPDTQHZSA-N 1 2 245.363 1.979 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(CO)o1 ZINC000678267209 488231047 /nfs/dbraw/zinc/23/10/47/488231047.db2.gz ZQPWBPOFGWZFIQ-UHFFFAOYSA-N 1 2 221.260 1.127 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(CO)o1 ZINC000678267209 488231051 /nfs/dbraw/zinc/23/10/51/488231051.db2.gz ZQPWBPOFGWZFIQ-UHFFFAOYSA-N 1 2 221.260 1.127 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000336272102 178577509 /nfs/dbraw/zinc/57/75/09/178577509.db2.gz NCAGUNMQAAKSNW-NSHDSACASA-N 1 2 220.316 1.919 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000336272102 178577510 /nfs/dbraw/zinc/57/75/10/178577510.db2.gz NCAGUNMQAAKSNW-NSHDSACASA-N 1 2 220.316 1.919 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCSC1)n1cc[nH+]c1 ZINC000576947040 343768373 /nfs/dbraw/zinc/76/83/73/343768373.db2.gz HFWZIKHRRYYHRR-ZJUUUORDSA-N 1 2 239.344 1.456 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](CO)CC1CC1 ZINC000624400454 343753880 /nfs/dbraw/zinc/75/38/80/343753880.db2.gz OMKXATCHQISFDH-NSHDSACASA-N 1 2 236.315 1.911 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625450863 343777733 /nfs/dbraw/zinc/77/77/33/343777733.db2.gz RTGXYVAPNFUWGB-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625450863 343777734 /nfs/dbraw/zinc/77/77/34/343777734.db2.gz RTGXYVAPNFUWGB-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC[N@H+](Cc1cnns1)[C@@H]1CCOC1 ZINC000625444514 343761911 /nfs/dbraw/zinc/76/19/11/343761911.db2.gz KSEWLUHWPIRYFL-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO CC[N@@H+](Cc1cnns1)[C@@H]1CCOC1 ZINC000625444514 343761912 /nfs/dbraw/zinc/76/19/12/343761912.db2.gz KSEWLUHWPIRYFL-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](O)C2)cs1 ZINC000047915924 343782076 /nfs/dbraw/zinc/78/20/76/343782076.db2.gz DNSABIYNYHMPDK-JTQLQIEISA-N 1 2 212.318 1.408 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](O)C2)cs1 ZINC000047915924 343782078 /nfs/dbraw/zinc/78/20/78/343782078.db2.gz DNSABIYNYHMPDK-JTQLQIEISA-N 1 2 212.318 1.408 20 0 BDADLO CN(CC1(O)CCCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493151736 529855574 /nfs/dbraw/zinc/85/55/74/529855574.db2.gz JUIJJCDROZVIFN-PLNGDYQASA-N 1 2 249.314 1.186 20 0 BDADLO CCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000570455603 323060285 /nfs/dbraw/zinc/06/02/85/323060285.db2.gz UJPUWTQNBAFBHV-JTQLQIEISA-N 1 2 221.304 1.893 20 0 BDADLO c1cc(CNc2cc[nH+]c(C3CC3)n2)sn1 ZINC000624436431 343868003 /nfs/dbraw/zinc/86/80/03/343868003.db2.gz HXDCUYWQVGCMPJ-UHFFFAOYSA-N 1 2 232.312 1.845 20 0 BDADLO Cn1c2cc(NCc3[nH]cc[nH+]3)ccc2oc1=O ZINC000128579921 343887456 /nfs/dbraw/zinc/88/74/56/343887456.db2.gz JCPORVUAHSDMES-UHFFFAOYSA-N 1 2 244.254 1.467 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccnn2C)cs1 ZINC000067187616 343889533 /nfs/dbraw/zinc/88/95/33/343889533.db2.gz AEEHQMKUORDLIP-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO CCCC[C@H]([NH2+]CCSC)C(=O)OC ZINC000135130568 343941718 /nfs/dbraw/zinc/94/17/18/343941718.db2.gz XIRKXLFQOZZATP-VIFPVBQESA-N 1 2 219.350 1.671 20 0 BDADLO CCc1cc(CNC(=O)CCn2cc[nH+]c2)on1 ZINC000078127675 343916218 /nfs/dbraw/zinc/91/62/18/343916218.db2.gz CHMYJSPHPIJLRE-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO CCC[C@@]1(C)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631140695 343916496 /nfs/dbraw/zinc/91/64/96/343916496.db2.gz CRVNVVZTMSRYDQ-ZDUSSCGKSA-N 1 2 249.362 1.999 20 0 BDADLO CCC[C@@]1(C)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631140695 343916498 /nfs/dbraw/zinc/91/64/98/343916498.db2.gz CRVNVVZTMSRYDQ-ZDUSSCGKSA-N 1 2 249.362 1.999 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1nc(C)no1)C1CC1 ZINC000625519858 343917106 /nfs/dbraw/zinc/91/71/06/343917106.db2.gz ZHHOCAWGZLRFLM-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1nc(C)no1)C1CC1 ZINC000625519858 343917108 /nfs/dbraw/zinc/91/71/08/343917108.db2.gz ZHHOCAWGZLRFLM-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO C/C=C\c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641178554 362257538 /nfs/dbraw/zinc/25/75/38/362257538.db2.gz XUHODLHPRYVMFL-PLNGDYQASA-N 1 2 243.314 1.821 20 0 BDADLO Cc1cc(CN[C@@H]2C[C@@H](C)n3cc[nH+]c32)no1 ZINC000379064407 347019455 /nfs/dbraw/zinc/01/94/55/347019455.db2.gz UQJQRLCJNYPCDJ-LDYMZIIASA-N 1 2 232.287 1.975 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619366076 343969161 /nfs/dbraw/zinc/96/91/61/343969161.db2.gz HXCWBEBSMYKZMJ-NXEZZACHSA-N 1 2 219.288 1.211 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619366076 343969163 /nfs/dbraw/zinc/96/91/63/343969163.db2.gz HXCWBEBSMYKZMJ-NXEZZACHSA-N 1 2 219.288 1.211 20 0 BDADLO Cc1cc(C(=O)NCC[C@@H](C)O)c2[nH+]ccn2c1 ZINC000625716302 344054681 /nfs/dbraw/zinc/05/46/81/344054681.db2.gz RXMIVFBHVQUFTJ-SNVBAGLBSA-N 1 2 247.298 1.143 20 0 BDADLO Oc1ccc2c(c1)CN(Cc1[nH]cc[nH+]1)C2 ZINC000625726059 344058120 /nfs/dbraw/zinc/05/81/20/344058120.db2.gz CFGALBWJYREDOM-UHFFFAOYSA-N 1 2 215.256 1.631 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000641241314 362300402 /nfs/dbraw/zinc/30/04/02/362300402.db2.gz IWAOATAGZHFZOH-VHSXEESVSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000641241611 362301122 /nfs/dbraw/zinc/30/11/22/362301122.db2.gz KNIPEZWLLDIWKF-VHSXEESVSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000641241936 362302099 /nfs/dbraw/zinc/30/20/99/362302099.db2.gz KWWRZBLHRIUHNN-VHSXEESVSA-N 1 2 219.288 1.066 20 0 BDADLO C[C@@H]1CCN(c2cccnn2)C[C@H]1n1cc[nH+]c1 ZINC000584249170 344111751 /nfs/dbraw/zinc/11/17/51/344111751.db2.gz YSADBNVQOWDJJJ-VXGBXAGGSA-N 1 2 243.314 1.761 20 0 BDADLO O=C(CNc1cc[nH+]cc1F)N1CCCCC1 ZINC000641287948 362346214 /nfs/dbraw/zinc/34/62/14/362346214.db2.gz BBGATYBIVGSTEW-UHFFFAOYSA-N 1 2 237.278 1.067 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H](C(F)F)CC1 ZINC000634735216 344117306 /nfs/dbraw/zinc/11/73/06/344117306.db2.gz ZKROWJSJQXRWGF-VIFPVBQESA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634735216 344117307 /nfs/dbraw/zinc/11/73/07/344117307.db2.gz ZKROWJSJQXRWGF-VIFPVBQESA-N 1 2 245.273 1.276 20 0 BDADLO Cn1ccnc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634735216 344117309 /nfs/dbraw/zinc/11/73/09/344117309.db2.gz ZKROWJSJQXRWGF-VIFPVBQESA-N 1 2 245.273 1.276 20 0 BDADLO OCc1cc[nH+]c(NCCOC2CCCC2)c1 ZINC000641302592 362353470 /nfs/dbraw/zinc/35/34/70/362353470.db2.gz QZDDBDDJYJKRSP-UHFFFAOYSA-N 1 2 236.315 1.945 20 0 BDADLO C[C@H](CN1CCCC1=O)Nc1cc[nH+]cc1F ZINC000641305640 362354945 /nfs/dbraw/zinc/35/49/45/362354945.db2.gz MIAPRUZXBVJZAW-SECBINFHSA-N 1 2 237.278 1.065 20 0 BDADLO CCc1nnc(C[NH+](C2CC2)C2CC2)o1 ZINC000625835224 344089521 /nfs/dbraw/zinc/08/95/21/344089521.db2.gz ONNIMLQSPBHRLD-UHFFFAOYSA-N 1 2 207.277 1.759 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641304393 362353608 /nfs/dbraw/zinc/35/36/08/362353608.db2.gz XYUYOWUPBMZHHK-SECBINFHSA-N 1 2 210.252 1.836 20 0 BDADLO CO[C@@H](C)c1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625838773 344092019 /nfs/dbraw/zinc/09/20/19/344092019.db2.gz KJRWNLRFGPRJFD-QMMMGPOBSA-N 1 2 237.303 1.904 20 0 BDADLO CC1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000081350609 344140988 /nfs/dbraw/zinc/14/09/88/344140988.db2.gz ZBILRCSECORDLW-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO OCc1cc[nH+]c(NCC2(O)CCCCC2)c1 ZINC000641325530 362364038 /nfs/dbraw/zinc/36/40/38/362364038.db2.gz ZXHBFULAFKTHLN-UHFFFAOYSA-N 1 2 236.315 1.681 20 0 BDADLO Cn1cc(CSCCn2cc[nH+]c2)cn1 ZINC000588921130 344199612 /nfs/dbraw/zinc/19/96/12/344199612.db2.gz HMYCDLALLSDARB-UHFFFAOYSA-N 1 2 222.317 1.550 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCCOC2)c1 ZINC000641360782 362375896 /nfs/dbraw/zinc/37/58/96/362375896.db2.gz XUYFPCPMCLUARD-JTQLQIEISA-N 1 2 208.261 1.165 20 0 BDADLO OCCCc1cn(-c2cc(C3CC3)ncn2)c[nH+]1 ZINC000641360326 362376509 /nfs/dbraw/zinc/37/65/09/362376509.db2.gz FMLOJFCKOZXHAS-UHFFFAOYSA-N 1 2 244.298 1.465 20 0 BDADLO C[C@H](O)C1CCN(c2cc[nH+]cc2F)CC1 ZINC000641367577 362378590 /nfs/dbraw/zinc/37/85/90/362378590.db2.gz MLLVHMILFKCJGT-VIFPVBQESA-N 1 2 224.279 1.818 20 0 BDADLO CC[C@@H](C)[C@](C)(O)CNc1cc[nH+]cc1F ZINC000641374507 362382006 /nfs/dbraw/zinc/38/20/06/362382006.db2.gz WSLFGOJEXAEFRK-BXKDBHETSA-N 1 2 226.295 1.852 20 0 BDADLO CC[C@H](C)[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000641374508 362382050 /nfs/dbraw/zinc/38/20/50/362382050.db2.gz WSLFGOJEXAEFRK-CABZTGNLSA-N 1 2 226.295 1.852 20 0 BDADLO C[C@]1(CNc2cc[nH+]cc2F)CCOC1 ZINC000641374454 362382518 /nfs/dbraw/zinc/38/25/18/362382518.db2.gz LSQHULXOPYVUBH-LLVKDONJSA-N 1 2 210.252 1.481 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1scnc1C ZINC000093050649 344307954 /nfs/dbraw/zinc/30/79/54/344307954.db2.gz QSWIRFQIFVGYRS-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1scnc1C ZINC000093050649 344307956 /nfs/dbraw/zinc/30/79/56/344307956.db2.gz QSWIRFQIFVGYRS-SECBINFHSA-N 1 2 239.344 1.162 20 0 BDADLO CC(C)n1ccc(CNc2cc(CO)cc[nH+]2)n1 ZINC000641385787 362386933 /nfs/dbraw/zinc/38/69/33/362386933.db2.gz SQABLQVJLQAMST-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO CC(C)(CO)CCCNc1cc[nH+]cc1F ZINC000641390014 362388031 /nfs/dbraw/zinc/38/80/31/362388031.db2.gz DSGLICKKWLUSPN-UHFFFAOYSA-N 1 2 226.295 1.853 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](OC)C1CC1 ZINC000400228553 344435312 /nfs/dbraw/zinc/43/53/12/344435312.db2.gz QOOKGLCKJKGNON-NEPJUHHUSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@@H](CC[S@@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603304804 349909871 /nfs/dbraw/zinc/90/98/71/349909871.db2.gz XLQUFZIXQKNFFB-XXFAHNHDSA-N 1 2 242.344 1.143 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000631430461 344442088 /nfs/dbraw/zinc/44/20/88/344442088.db2.gz SMIKGJYEIXLXEP-WAAGHKOSSA-N 1 2 234.303 1.234 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000631430461 344442090 /nfs/dbraw/zinc/44/20/90/344442090.db2.gz SMIKGJYEIXLXEP-WAAGHKOSSA-N 1 2 234.303 1.234 20 0 BDADLO CSC[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378244 347051516 /nfs/dbraw/zinc/05/15/16/347051516.db2.gz HJHZKJQNWNSMGR-MRVPVSSYSA-N 1 2 239.344 1.294 20 0 BDADLO CSC[C@@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378244 347051518 /nfs/dbraw/zinc/05/15/18/347051518.db2.gz HJHZKJQNWNSMGR-MRVPVSSYSA-N 1 2 239.344 1.294 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)no1 ZINC000152377292 344532142 /nfs/dbraw/zinc/53/21/42/344532142.db2.gz DGCNLFDMYRGFSP-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO c1cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)no1 ZINC000152377292 344532146 /nfs/dbraw/zinc/53/21/46/344532146.db2.gz DGCNLFDMYRGFSP-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1CCCSC1 ZINC000641437428 362418689 /nfs/dbraw/zinc/41/86/89/362418689.db2.gz HVMFGFWHQBPQHX-MRVPVSSYSA-N 1 2 212.293 1.950 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)C1CCOCC1 ZINC000641439445 362420038 /nfs/dbraw/zinc/42/00/38/362420038.db2.gz CJWYDYMZXLCBRT-SNVBAGLBSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@@H]1OCCN(c2cc[nH+]cc2F)[C@H]1C ZINC000641443962 362422456 /nfs/dbraw/zinc/42/24/56/362422456.db2.gz NWVZYJDWHVLOQM-IUCAKERBSA-N 1 2 210.252 1.834 20 0 BDADLO CCO[C@H](C)c1nccn1Cc1cn(C)c[nH+]1 ZINC000641472040 362445039 /nfs/dbraw/zinc/44/50/39/362445039.db2.gz IMGDTBGZFWEKKZ-SNVBAGLBSA-N 1 2 234.303 1.762 20 0 BDADLO COCCC1(CNc2cc[nH+]cc2F)CC1 ZINC000641448793 362423750 /nfs/dbraw/zinc/42/37/50/362423750.db2.gz GWZCQILMYCDMMU-UHFFFAOYSA-N 1 2 224.279 1.871 20 0 BDADLO C[C@]1(CNc2cc[nH+]cc2F)CCCC[C@H]1O ZINC000641445579 362423814 /nfs/dbraw/zinc/42/38/14/362423814.db2.gz VXMNVDCUTZAZGB-CHWSQXEVSA-N 1 2 238.306 1.996 20 0 BDADLO Cn1cnnc1[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641472628 362441646 /nfs/dbraw/zinc/44/16/46/362441646.db2.gz ODJFXFMRTDXAKO-LLVKDONJSA-N 1 2 247.277 1.691 20 0 BDADLO C[C@H]1CC(Nc2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641472514 362441728 /nfs/dbraw/zinc/44/17/28/362441728.db2.gz CEVJTSZCWZVXOK-UWVGGRQHSA-N 1 2 236.315 1.942 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573980395 344586501 /nfs/dbraw/zinc/58/65/01/344586501.db2.gz VYKPNTUUQPWZHO-NXEZZACHSA-N 1 2 223.320 1.845 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573980395 344586504 /nfs/dbraw/zinc/58/65/04/344586504.db2.gz VYKPNTUUQPWZHO-NXEZZACHSA-N 1 2 223.320 1.845 20 0 BDADLO CC[C@H](C)[C@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000152515220 344589449 /nfs/dbraw/zinc/58/94/49/344589449.db2.gz PPBFKBCMQPSVDF-KWQFWETISA-N 1 2 248.330 1.666 20 0 BDADLO O[C@@H]1CC[C@H](CNc2cc[nH+]cc2F)C1 ZINC000641544445 362492250 /nfs/dbraw/zinc/49/22/50/362492250.db2.gz GSBWNJXNKLDPBB-DTWKUNHWSA-N 1 2 210.252 1.216 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)[C@H]1CCCOC1 ZINC000641484391 362452328 /nfs/dbraw/zinc/45/23/28/362452328.db2.gz PICWUYHIZIHRGV-PWSUYJOCSA-N 1 2 236.315 1.801 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000641490748 362458402 /nfs/dbraw/zinc/45/84/02/362458402.db2.gz HURLZMHORNBRTK-STQMWFEESA-N 1 2 248.326 1.943 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641498018 362461926 /nfs/dbraw/zinc/46/19/26/362461926.db2.gz VCDGJVBPJWEFHR-OTDNITJGSA-N 1 2 222.288 1.313 20 0 BDADLO CCO[C@H](C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000625966902 344617906 /nfs/dbraw/zinc/61/79/06/344617906.db2.gz MUUZEJJSILLDKO-NSHDSACASA-N 1 2 237.303 1.149 20 0 BDADLO OCCN(c1cc[nH+]cc1F)C1CCOCC1 ZINC000641520070 362476877 /nfs/dbraw/zinc/47/68/77/362476877.db2.gz CAXTUCMACUFPLA-UHFFFAOYSA-N 1 2 240.278 1.198 20 0 BDADLO COCCCN(CCO)c1cc[nH+]cc1F ZINC000641520133 362476901 /nfs/dbraw/zinc/47/69/01/362476901.db2.gz APDTWKWWXZQOLE-UHFFFAOYSA-N 1 2 228.267 1.056 20 0 BDADLO COC[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)O1 ZINC000641523446 362479777 /nfs/dbraw/zinc/47/97/77/362479777.db2.gz LMPPOPFKOVBWBN-ZJUUUORDSA-N 1 2 240.278 1.461 20 0 BDADLO OCc1cc[nH+]c(NCCOCC(F)F)c1 ZINC000641527441 362480861 /nfs/dbraw/zinc/48/08/61/362480861.db2.gz NNCGXSBIJMOLQZ-UHFFFAOYSA-N 1 2 232.230 1.268 20 0 BDADLO OCc1cc[nH+]c(N[C@H](CO)CC2CCC2)c1 ZINC000641545773 362493939 /nfs/dbraw/zinc/49/39/39/362493939.db2.gz IMLLLMGMXBIORT-LBPRGKRZSA-N 1 2 236.315 1.537 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000626000820 344661666 /nfs/dbraw/zinc/66/16/66/344661666.db2.gz ZRZXETZTMKRTGH-SECBINFHSA-N 1 2 214.240 1.235 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000626000820 344661668 /nfs/dbraw/zinc/66/16/68/344661668.db2.gz ZRZXETZTMKRTGH-SECBINFHSA-N 1 2 214.240 1.235 20 0 BDADLO FCC[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000626002278 344663261 /nfs/dbraw/zinc/66/32/61/344663261.db2.gz KARHXNIPVZNYDG-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO FCC[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000626002278 344663263 /nfs/dbraw/zinc/66/32/63/344663263.db2.gz KARHXNIPVZNYDG-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO Cc1c(C[N@@H+]2CCO[C@H](CCF)C2)cnn1C ZINC000626003665 344664027 /nfs/dbraw/zinc/66/40/27/344664027.db2.gz NWKSPSGZUKTSBG-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1c(C[N@H+]2CCO[C@H](CCF)C2)cnn1C ZINC000626003665 344664030 /nfs/dbraw/zinc/66/40/30/344664030.db2.gz NWKSPSGZUKTSBG-GFCCVEGCSA-N 1 2 241.310 1.289 20 0 BDADLO FCC[C@@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000626006261 344664304 /nfs/dbraw/zinc/66/43/04/344664304.db2.gz UTTYNRKCQBLUTN-LLVKDONJSA-N 1 2 244.335 1.746 20 0 BDADLO FCC[C@@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000626006261 344664306 /nfs/dbraw/zinc/66/43/06/344664306.db2.gz UTTYNRKCQBLUTN-LLVKDONJSA-N 1 2 244.335 1.746 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005193 344667738 /nfs/dbraw/zinc/66/77/38/344667738.db2.gz XQYUAAULNLJJPG-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005193 344667740 /nfs/dbraw/zinc/66/77/40/344667740.db2.gz XQYUAAULNLJJPG-CYBMUJFWSA-N 1 2 238.306 1.950 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H]2CCCOC2)o1 ZINC000574143886 344676675 /nfs/dbraw/zinc/67/66/75/344676675.db2.gz ALGKOWOLYUKGCR-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H]2CCCOC2)o1 ZINC000574143886 344676677 /nfs/dbraw/zinc/67/66/77/344676677.db2.gz ALGKOWOLYUKGCR-JTQLQIEISA-N 1 2 224.304 1.848 20 0 BDADLO CN(C)C(=O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000112553580 344645961 /nfs/dbraw/zinc/64/59/61/344645961.db2.gz QQUTWJYSSIOIPG-UHFFFAOYSA-N 1 2 248.330 1.634 20 0 BDADLO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1n[nH]c(=O)[nH]1 ZINC000626103567 344740753 /nfs/dbraw/zinc/74/07/53/344740753.db2.gz GGMQYKJIRUAKEB-KWQFWETISA-N 1 2 222.292 1.275 20 0 BDADLO C[C@]12CCCC[C@H]1C[N@H+]2Cc1n[nH]c(=O)[nH]1 ZINC000626103567 344740755 /nfs/dbraw/zinc/74/07/55/344740755.db2.gz GGMQYKJIRUAKEB-KWQFWETISA-N 1 2 222.292 1.275 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@@H](C2CC2)C1 ZINC000400449557 344695642 /nfs/dbraw/zinc/69/56/42/344695642.db2.gz MSZJPLAQHGTTMX-SECBINFHSA-N 1 2 234.303 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@@H](C2CC2)C1 ZINC000400449557 344695644 /nfs/dbraw/zinc/69/56/44/344695644.db2.gz MSZJPLAQHGTTMX-SECBINFHSA-N 1 2 234.303 1.304 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000075290516 344769984 /nfs/dbraw/zinc/76/99/84/344769984.db2.gz WTYPIJBEMNGSKZ-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403739712 530026185 /nfs/dbraw/zinc/02/61/85/530026185.db2.gz MCZGGDDOPJXVES-AXFHLTTASA-N 1 2 233.315 1.804 20 0 BDADLO CN1CC2(C[NH+](Cc3ccccc3)C2)OC1=O ZINC000496500574 530047157 /nfs/dbraw/zinc/04/71/57/530047157.db2.gz WLVVNEMZAVATFE-UHFFFAOYSA-N 1 2 232.283 1.323 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1ncc(C)o1 ZINC000075683704 344784605 /nfs/dbraw/zinc/78/46/05/344784605.db2.gz IUMRFCOWZGSMIW-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1ncc(C)o1 ZINC000075683704 344784606 /nfs/dbraw/zinc/78/46/06/344784606.db2.gz IUMRFCOWZGSMIW-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO CCc1nnc(C[NH+]2C[C@H](C)S[C@@H](C)C2)o1 ZINC000075892865 344787009 /nfs/dbraw/zinc/78/70/09/344787009.db2.gz YTGIPGRGQQDJCC-IUCAKERBSA-N 1 2 241.360 1.958 20 0 BDADLO COCc1nc(C[N@H+](C)CC[C@@H](C)O)cs1 ZINC000075777541 344791737 /nfs/dbraw/zinc/79/17/37/344791737.db2.gz FKAGIPTWVUUPMN-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO COCc1nc(C[N@@H+](C)CC[C@@H](C)O)cs1 ZINC000075777541 344791738 /nfs/dbraw/zinc/79/17/38/344791738.db2.gz FKAGIPTWVUUPMN-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO COC(C)(C)C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000076204770 344803059 /nfs/dbraw/zinc/80/30/59/344803059.db2.gz LIIBNSNFDFGPQE-MRVPVSSYSA-N 1 2 239.319 1.652 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)OC[C@H]2C)[nH+]1 ZINC000628140303 344805784 /nfs/dbraw/zinc/80/57/84/344805784.db2.gz GLEZWZXVGSJHGC-NXEZZACHSA-N 1 2 209.293 1.327 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000076708750 344808632 /nfs/dbraw/zinc/80/86/32/344808632.db2.gz FTRMREIORRCMHX-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000076708750 344808634 /nfs/dbraw/zinc/80/86/34/344808634.db2.gz FTRMREIORRCMHX-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC000623040196 347080468 /nfs/dbraw/zinc/08/04/68/347080468.db2.gz NCHOCHZUXWOUSP-UHFFFAOYSA-N 1 2 207.277 1.045 20 0 BDADLO COc1ccc(NCC[C@@H]2CCOC2)[nH+]c1 ZINC000220798310 537861873 /nfs/dbraw/zinc/86/18/73/537861873.db2.gz QBAYDZXKOKFDFX-SNVBAGLBSA-N 1 2 222.288 1.929 20 0 BDADLO CCCC[C@@H](COC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000077027851 344812609 /nfs/dbraw/zinc/81/26/09/344812609.db2.gz QHIJYAFGTWLQOI-JTQLQIEISA-N 1 2 239.319 1.653 20 0 BDADLO CCOC(=O)C[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC000182091179 347083884 /nfs/dbraw/zinc/08/38/84/347083884.db2.gz HPMZPBZNIQQPKS-VIFPVBQESA-N 1 2 237.303 1.563 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H]1F ZINC000424797343 192078485 /nfs/dbraw/zinc/07/84/85/192078485.db2.gz RHACXPUCLGZRAJ-SBMIAAHKSA-N 1 2 237.278 1.062 20 0 BDADLO CC[C@@](C)(CNC(=O)C[NH+]1CC(C)(C)C1)OC ZINC000583391106 344876836 /nfs/dbraw/zinc/87/68/36/344876836.db2.gz KRSDHIWRGAZYBS-ZDUSSCGKSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000037957103 344911904 /nfs/dbraw/zinc/91/19/04/344911904.db2.gz LRJBZDHABWBGSV-CMPLNLGQSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1[nH]c(CN(C)CCn2cccn2)[nH+]c1C ZINC000628173175 344895018 /nfs/dbraw/zinc/89/50/18/344895018.db2.gz LKXYECGSGIESSB-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1nc(C[N@H+](C)CCn2cccn2)[nH]c1C ZINC000628173175 344895021 /nfs/dbraw/zinc/89/50/21/344895021.db2.gz LKXYECGSGIESSB-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1nc(C[N@@H+](C)CCn2cccn2)[nH]c1C ZINC000628173175 344895023 /nfs/dbraw/zinc/89/50/23/344895023.db2.gz LKXYECGSGIESSB-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1[nH]c(CN2CCSC[C@H]2C)[nH+]c1C ZINC000628175409 344897934 /nfs/dbraw/zinc/89/79/34/344897934.db2.gz WNKUZFCADDGZGD-MRVPVSSYSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H]2C)[nH]c1C ZINC000628175409 344897936 /nfs/dbraw/zinc/89/79/36/344897936.db2.gz WNKUZFCADDGZGD-MRVPVSSYSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H]2C)[nH]c1C ZINC000628175409 344897939 /nfs/dbraw/zinc/89/79/39/344897939.db2.gz WNKUZFCADDGZGD-MRVPVSSYSA-N 1 2 225.361 1.964 20 0 BDADLO Cc1c[nH]c(CN2CCOC3(CCC3)C2)[nH+]1 ZINC000628182706 344926952 /nfs/dbraw/zinc/92/69/52/344926952.db2.gz FOHXDAJKTBIDQR-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnc(C)o2)[C@@H](C)C1 ZINC000628179420 344915285 /nfs/dbraw/zinc/91/52/85/344915285.db2.gz ZHMFIJQFGAVWAC-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnc(C)o2)[C@@H](C)C1 ZINC000628179420 344915286 /nfs/dbraw/zinc/91/52/86/344915286.db2.gz ZHMFIJQFGAVWAC-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000235464363 344920987 /nfs/dbraw/zinc/92/09/87/344920987.db2.gz LAEITKIQEXSDKJ-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000235464363 344920991 /nfs/dbraw/zinc/92/09/91/344920991.db2.gz LAEITKIQEXSDKJ-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CCc2nccs2)n1 ZINC000628188296 344940663 /nfs/dbraw/zinc/94/06/63/344940663.db2.gz VNULPHINCXUPAB-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CCc2nccs2)n1 ZINC000628188296 344940666 /nfs/dbraw/zinc/94/06/66/344940666.db2.gz VNULPHINCXUPAB-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H](C(F)F)C2)c1 ZINC000641554247 362499266 /nfs/dbraw/zinc/49/92/66/362499266.db2.gz TYEOJRYTFFSPFM-SECBINFHSA-N 1 2 228.242 1.665 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)nc1 ZINC000153979459 345004483 /nfs/dbraw/zinc/00/44/83/345004483.db2.gz UJULOLQXJJYPFU-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)nc1 ZINC000153979459 345004485 /nfs/dbraw/zinc/00/44/85/345004485.db2.gz UJULOLQXJJYPFU-CYBMUJFWSA-N 1 2 247.342 1.491 20 0 BDADLO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398323121 345049585 /nfs/dbraw/zinc/04/95/85/345049585.db2.gz NKRHEDWJPMGTTE-WCABBAIRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398323121 345049587 /nfs/dbraw/zinc/04/95/87/345049587.db2.gz NKRHEDWJPMGTTE-WCABBAIRSA-N 1 2 208.309 1.719 20 0 BDADLO COC(C)(C)c1noc(C[N@H+](C)C(C)C)n1 ZINC000154142230 345017377 /nfs/dbraw/zinc/01/73/77/345017377.db2.gz WZYRDBCTEMLVHE-UHFFFAOYSA-N 1 2 227.308 1.791 20 0 BDADLO COC(C)(C)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000154142230 345017382 /nfs/dbraw/zinc/01/73/82/345017382.db2.gz WZYRDBCTEMLVHE-UHFFFAOYSA-N 1 2 227.308 1.791 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000154275809 345023290 /nfs/dbraw/zinc/02/32/90/345023290.db2.gz OMIMCRJORGATCQ-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000154275809 345023292 /nfs/dbraw/zinc/02/32/92/345023292.db2.gz OMIMCRJORGATCQ-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1cc[nH+]cc1F ZINC000603321339 349922451 /nfs/dbraw/zinc/92/24/51/349922451.db2.gz WXGGSIJYTPRWTG-QMMMGPOBSA-N 1 2 226.251 1.466 20 0 BDADLO CC(=O)Nc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714458 192083763 /nfs/dbraw/zinc/08/37/63/192083763.db2.gz GINWALJJEYQTCW-UHFFFAOYSA-N 1 2 230.271 1.980 20 0 BDADLO CO[C@@H]1COCC[C@H]1CNc1cc[nH+]cc1F ZINC000641617321 362549418 /nfs/dbraw/zinc/54/94/18/362549418.db2.gz FHCYMIHLKUDWPB-JOYOIKCWSA-N 1 2 240.278 1.106 20 0 BDADLO CCc1nocc1CN(C)c1cc(CO)cc[nH+]1 ZINC000641616462 362549531 /nfs/dbraw/zinc/54/95/31/362549531.db2.gz QJSSNXWQEKUQGT-UHFFFAOYSA-N 1 2 247.298 1.761 20 0 BDADLO C[C@H]1OCC[C@H]1SCc1cn(C)c[nH+]1 ZINC000603324904 349923050 /nfs/dbraw/zinc/92/30/50/349923050.db2.gz IZQZJLGUDLXARO-PSASIEDQSA-N 1 2 212.318 1.831 20 0 BDADLO OCC1(CCNc2cc[nH+]cc2F)CC1 ZINC000641622274 362554130 /nfs/dbraw/zinc/55/41/30/362554130.db2.gz PPNAMLLIXMBMFI-UHFFFAOYSA-N 1 2 210.252 1.217 20 0 BDADLO CC(C)(O)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408291139 345057064 /nfs/dbraw/zinc/05/70/64/345057064.db2.gz MYIMKGHRJVWHTA-VIFPVBQESA-N 1 2 237.303 1.234 20 0 BDADLO C[C@H]1COCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000641594883 362536194 /nfs/dbraw/zinc/53/61/94/362536194.db2.gz SZZVTVBDRPJWHB-CMPLNLGQSA-N 1 2 236.315 1.658 20 0 BDADLO Fc1c[nH+]ccc1NCC1=CCCOC1 ZINC000641598658 362538081 /nfs/dbraw/zinc/53/80/81/362538081.db2.gz MHKZBSAEQTYERK-UHFFFAOYSA-N 1 2 208.236 1.401 20 0 BDADLO CCC[C@@H](C)[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641650070 362575373 /nfs/dbraw/zinc/57/53/73/362575373.db2.gz MVNODDJRVCOWJQ-PWSUYJOCSA-N 1 2 238.331 1.783 20 0 BDADLO CN(C[C@H](O)C1CC1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000080233365 345122090 /nfs/dbraw/zinc/12/20/90/345122090.db2.gz WICYXSYAGSMMAC-NSHDSACASA-N 1 2 249.358 1.981 20 0 BDADLO CCC[C@H](C)[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641649833 362577066 /nfs/dbraw/zinc/57/70/66/362577066.db2.gz LOWDPKABWPCGDU-JOYOIKCWSA-N 1 2 226.295 1.852 20 0 BDADLO OC[C@H](Nc1cc[nH+]cc1F)C1CCC1 ZINC000641656929 362581340 /nfs/dbraw/zinc/58/13/40/362581340.db2.gz MQBJSVMUWZMWER-NSHDSACASA-N 1 2 210.252 1.216 20 0 BDADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1ccn(C)n1 ZINC000641630188 362560863 /nfs/dbraw/zinc/56/08/63/362560863.db2.gz RZGVZGCPVCIXTO-VIFPVBQESA-N 1 2 232.287 1.481 20 0 BDADLO COCC[C@@H](C)CNc1cc[nH+]cc1F ZINC000641630997 362561711 /nfs/dbraw/zinc/56/17/11/362561711.db2.gz BPJJOBZBUTUMQL-SECBINFHSA-N 1 2 212.268 1.727 20 0 BDADLO C[C@@H]1C[C@@H](CNc2cc[nH+]cc2F)[C@H](C)O1 ZINC000641633516 362562118 /nfs/dbraw/zinc/56/21/18/362562118.db2.gz DJUPQMNMGUPYCV-UTLUCORTSA-N 1 2 224.279 1.868 20 0 BDADLO CCn1ccc(CNc2cc[nH+]cc2F)n1 ZINC000641632309 362563033 /nfs/dbraw/zinc/56/30/33/362563033.db2.gz KSXDWBZRIIKUHN-UHFFFAOYSA-N 1 2 220.251 1.471 20 0 BDADLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000564413993 345130715 /nfs/dbraw/zinc/13/07/15/345130715.db2.gz IPWKFGNUTFWMAK-VIFPVBQESA-N 1 2 234.303 1.207 20 0 BDADLO Cc1ccc(N[C@H]2CCNC(=O)CC2)c[nH+]1 ZINC000634969670 345146968 /nfs/dbraw/zinc/14/69/68/345146968.db2.gz VDVZXXBGUZSQJD-SNVBAGLBSA-N 1 2 219.288 1.471 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635056476 345230019 /nfs/dbraw/zinc/23/00/19/345230019.db2.gz BMSFWTFZUZGOQM-DJLDLDEBSA-N 1 2 207.277 1.428 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635056476 345230022 /nfs/dbraw/zinc/23/00/22/345230022.db2.gz BMSFWTFZUZGOQM-DJLDLDEBSA-N 1 2 207.277 1.428 20 0 BDADLO CCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635076553 345240695 /nfs/dbraw/zinc/24/06/95/345240695.db2.gz WEQNSVZELWTAKV-MRVPVSSYSA-N 1 2 249.236 1.903 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635077555 345241689 /nfs/dbraw/zinc/24/16/89/345241689.db2.gz GJLUROQXJHPQQZ-GMTAPVOTSA-N 1 2 233.315 1.914 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635077555 345241692 /nfs/dbraw/zinc/24/16/92/345241692.db2.gz GJLUROQXJHPQQZ-GMTAPVOTSA-N 1 2 233.315 1.914 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@@]1(C)C(C)C ZINC000397255892 323084802 /nfs/dbraw/zinc/08/48/02/323084802.db2.gz DDUDHBVMNJOTES-PELKAZGASA-N 1 2 236.319 1.914 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@@]1(C)C(C)C ZINC000397255892 323084803 /nfs/dbraw/zinc/08/48/03/323084803.db2.gz DDUDHBVMNJOTES-PELKAZGASA-N 1 2 236.319 1.914 20 0 BDADLO CCc1nc(C[N@H+](C)CC(O)(CC)CC)no1 ZINC000626110291 345258114 /nfs/dbraw/zinc/25/81/14/345258114.db2.gz WJMYPLPZFRSRRY-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCc1nc(C[N@@H+](C)CC(O)(CC)CC)no1 ZINC000626110291 345258116 /nfs/dbraw/zinc/25/81/16/345258116.db2.gz WJMYPLPZFRSRRY-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCc1c[nH]c(CC(=O)N(CC)CCOC)[nH+]1 ZINC000635248991 345286170 /nfs/dbraw/zinc/28/61/70/345286170.db2.gz PBQUZGIMFSDSLN-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO C[C@H](C[S@@](C)=O)N(C)c1cc[nH+]cc1F ZINC000603333713 349926497 /nfs/dbraw/zinc/92/64/97/349926497.db2.gz HYGRURZXPWATJN-ANRSDYALSA-N 1 2 230.308 1.424 20 0 BDADLO Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC000635402662 345349165 /nfs/dbraw/zinc/34/91/65/345349165.db2.gz SXWYEUQUXGVLPE-RNFRBKRXSA-N 1 2 249.299 1.312 20 0 BDADLO Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC000635402662 345349168 /nfs/dbraw/zinc/34/91/68/345349168.db2.gz SXWYEUQUXGVLPE-RNFRBKRXSA-N 1 2 249.299 1.312 20 0 BDADLO CC1(C)CC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000359564836 345350196 /nfs/dbraw/zinc/35/01/96/345350196.db2.gz UQEOEOQCPKTZRX-VIFPVBQESA-N 1 2 234.299 1.974 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C)CCCC2)[nH+]1 ZINC000635425023 345362923 /nfs/dbraw/zinc/36/29/23/345362923.db2.gz LGFNHWKBUBIDJI-UHFFFAOYSA-N 1 2 235.331 1.964 20 0 BDADLO CCCCc1noc(C[N@H+](C)CC[C@H](C)O)n1 ZINC000135411217 345440784 /nfs/dbraw/zinc/44/07/84/345440784.db2.gz LKZZOZIMCWMILL-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000135411217 345440789 /nfs/dbraw/zinc/44/07/89/345440789.db2.gz LKZZOZIMCWMILL-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO COc1ccc(CNc2c[nH]c[nH+]2)cn1 ZINC000380294324 345443278 /nfs/dbraw/zinc/44/32/78/345443278.db2.gz CHCRNMLGIAXHSI-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO CC(C)[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081797740 345492679 /nfs/dbraw/zinc/49/26/79/345492679.db2.gz SIYGGSVEOFDHHH-NEPJUHHUSA-N 1 2 237.347 1.928 20 0 BDADLO Cc1ccc(CCC(=O)NCCn2cc[nH+]c2)o1 ZINC000081821106 345493949 /nfs/dbraw/zinc/49/39/49/345493949.db2.gz BODAEIXPLCADHC-UHFFFAOYSA-N 1 2 247.298 1.534 20 0 BDADLO C[C@H]1CCC[C@@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641658454 362583263 /nfs/dbraw/zinc/58/32/63/362583263.db2.gz GGRWFTGFAXTAIY-JQWIXIFHSA-N 1 2 236.315 1.943 20 0 BDADLO Cc1cc(NC(C)(C)c2[nH]cc[nH+]2)ncn1 ZINC000641662636 362586592 /nfs/dbraw/zinc/58/65/92/362586592.db2.gz HJVLOLXRXIIYCR-UHFFFAOYSA-N 1 2 217.276 1.855 20 0 BDADLO COc1nc(C)cc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000641664892 362588951 /nfs/dbraw/zinc/58/89/51/362588951.db2.gz MWFWJAUMAFEDHE-UHFFFAOYSA-N 1 2 247.302 1.864 20 0 BDADLO CC(C)(Nc1ncccn1)c1[nH]cc[nH+]1 ZINC000641664983 362589939 /nfs/dbraw/zinc/58/99/39/362589939.db2.gz OLDUYJUHXNDLTF-UHFFFAOYSA-N 1 2 203.249 1.547 20 0 BDADLO c1nc(C2CC[NH+](Cc3ccccn3)CC2)n[nH]1 ZINC000083445613 345506428 /nfs/dbraw/zinc/50/64/28/345506428.db2.gz IKJYMQJKRAMMSY-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO CCCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000080976474 345457553 /nfs/dbraw/zinc/45/75/53/345457553.db2.gz KLJPGNHBFUABAG-LBPRGKRZSA-N 1 2 247.342 1.967 20 0 BDADLO C[C@@H]1CCCCCN1C(=O)Cn1cc[nH+]c1 ZINC000081409564 345472209 /nfs/dbraw/zinc/47/22/09/345472209.db2.gz MOUPMXWGHJMKQS-LLVKDONJSA-N 1 2 221.304 1.674 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCOCC2CC2)n1 ZINC000088599535 345542733 /nfs/dbraw/zinc/54/27/33/345542733.db2.gz MQASHOOQKLAGEA-VIFPVBQESA-N 1 2 239.319 1.797 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCOCC2CC2)n1 ZINC000088599535 345542734 /nfs/dbraw/zinc/54/27/34/345542734.db2.gz MQASHOOQKLAGEA-VIFPVBQESA-N 1 2 239.319 1.797 20 0 BDADLO CCc1noc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)n1 ZINC000118417736 345547134 /nfs/dbraw/zinc/54/71/34/345547134.db2.gz WIXSGOQZJPQMNY-IUCAKERBSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1noc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)n1 ZINC000118417736 345547137 /nfs/dbraw/zinc/54/71/37/345547137.db2.gz WIXSGOQZJPQMNY-IUCAKERBSA-N 1 2 241.360 1.958 20 0 BDADLO CCOC(=O)CC[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000089656813 345558163 /nfs/dbraw/zinc/55/81/63/345558163.db2.gz ZYINWBGJYKXZGF-SECBINFHSA-N 1 2 237.303 1.929 20 0 BDADLO CC(C)OCC[N@H+](C)CC(=O)OC(C)(C)C ZINC000170646062 345566893 /nfs/dbraw/zinc/56/68/93/345566893.db2.gz WARLYHHLLGZISX-UHFFFAOYSA-N 1 2 231.336 1.685 20 0 BDADLO CC(C)OCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000170646062 345566895 /nfs/dbraw/zinc/56/68/95/345566895.db2.gz WARLYHHLLGZISX-UHFFFAOYSA-N 1 2 231.336 1.685 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000092738535 345637972 /nfs/dbraw/zinc/63/79/72/345637972.db2.gz FVIKBBKFWPKYSE-JGVFFNPUSA-N 1 2 222.244 1.151 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCO[C@H]1C ZINC000092346944 345631687 /nfs/dbraw/zinc/63/16/87/345631687.db2.gz CDNFRZMVCMWOBQ-IUCAKERBSA-N 1 2 236.271 1.454 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC(C)(F)F ZINC000622624302 345591506 /nfs/dbraw/zinc/59/15/06/345591506.db2.gz CVGZNIDDXSYWQE-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO OC[C@]12CCC[C@H]1CN(c1cc[nH+]cc1F)C2 ZINC000641692208 362606445 /nfs/dbraw/zinc/60/64/45/362606445.db2.gz XOKWBGMHCLUTAI-GXFFZTMASA-N 1 2 236.290 1.820 20 0 BDADLO CO[C@H](C[NH2+][C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000378840483 345667124 /nfs/dbraw/zinc/66/71/24/345667124.db2.gz XSZOKZQAPOZSEU-MWLCHTKSSA-N 1 2 243.347 1.731 20 0 BDADLO O[C@@]12C[C@@H]1CN(c1[nH+]ccc3ccc(F)cc31)C2 ZINC000641711079 362619933 /nfs/dbraw/zinc/61/99/33/362619933.db2.gz AIYFEGATIDOLQZ-QMTHXVAHSA-N 1 2 244.269 1.945 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2occc2C)C1 ZINC000093888041 345667274 /nfs/dbraw/zinc/66/72/74/345667274.db2.gz LDJSITDJQNZGDF-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2occc2C)C1 ZINC000093888041 345667276 /nfs/dbraw/zinc/66/72/76/345667276.db2.gz LDJSITDJQNZGDF-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO O[C@]12C[C@H]1CN(c1[nH+]ccc3cc(F)ccc31)C2 ZINC000641712145 362623876 /nfs/dbraw/zinc/62/38/76/362623876.db2.gz MGEVQYQHACWEPC-HZMBPMFUSA-N 1 2 244.269 1.945 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@H]2C[C@@]2(O)C1 ZINC000641713090 362624110 /nfs/dbraw/zinc/62/41/10/362624110.db2.gz LUPRGJXWDUKQNR-NOZJJQNGSA-N 1 2 229.283 1.144 20 0 BDADLO c1cc(NCC2CSC2)nc(C2CC2)[nH+]1 ZINC000641682336 362604106 /nfs/dbraw/zinc/60/41/06/362604106.db2.gz MYOKJLGXSGSSJV-UHFFFAOYSA-N 1 2 221.329 1.551 20 0 BDADLO CC(C)(C)c1nc(NCC2CSC2)cc[nH+]1 ZINC000641681466 362604838 /nfs/dbraw/zinc/60/48/38/362604838.db2.gz ASYGLUNPGLTMCD-UHFFFAOYSA-N 1 2 237.372 1.971 20 0 BDADLO c1cn(C2CCCC2)c(CN2CCOCC2)[nH+]1 ZINC000641726190 362642623 /nfs/dbraw/zinc/64/26/23/362642623.db2.gz OQWDAIZMSNIZLP-UHFFFAOYSA-N 1 2 235.331 1.830 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](O)C2)cc[nH+]1 ZINC000093401820 345670059 /nfs/dbraw/zinc/67/00/59/345670059.db2.gz ZGJYZTLMPMAJPB-BXKDBHETSA-N 1 2 249.314 1.625 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH]cn1 ZINC000093455419 345671413 /nfs/dbraw/zinc/67/14/13/345671413.db2.gz IDXDPBPWXOBWPC-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000093455419 345671416 /nfs/dbraw/zinc/67/14/16/345671416.db2.gz IDXDPBPWXOBWPC-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cnc[nH]1 ZINC000093455419 345671417 /nfs/dbraw/zinc/67/14/17/345671417.db2.gz IDXDPBPWXOBWPC-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000093455419 345671420 /nfs/dbraw/zinc/67/14/20/345671420.db2.gz IDXDPBPWXOBWPC-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO COc1cnn(Cc2c[nH+]ccc2OC)c1 ZINC000641728569 362649313 /nfs/dbraw/zinc/64/93/13/362649313.db2.gz DRLHLNGQAUXYGN-UHFFFAOYSA-N 1 2 219.244 1.344 20 0 BDADLO COC[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000641718854 362633984 /nfs/dbraw/zinc/63/39/84/362633984.db2.gz BQBMMUVBEBFJDF-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO COC[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000641718854 362633986 /nfs/dbraw/zinc/63/39/86/362633986.db2.gz BQBMMUVBEBFJDF-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO CC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000212048784 345739107 /nfs/dbraw/zinc/73/91/07/345739107.db2.gz KVOLNEMCDCXVQY-LBPRGKRZSA-N 1 2 238.718 1.833 20 0 BDADLO CC1(C)CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000135433798 345771515 /nfs/dbraw/zinc/77/15/15/345771515.db2.gz NZUBZKUVKSBGFI-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)[C@@H](C)O1 ZINC000631464007 345802411 /nfs/dbraw/zinc/80/24/11/345802411.db2.gz KJVCLOYCWUIOPN-FXPVBKGRSA-N 1 2 233.315 1.754 20 0 BDADLO CN(CC1=CCSC1)C(=O)Cn1cc[nH+]c1 ZINC000620851455 345842614 /nfs/dbraw/zinc/84/26/14/345842614.db2.gz CRKIPWQURQDLPH-UHFFFAOYSA-N 1 2 237.328 1.015 20 0 BDADLO CCc1c[nH]c(CC(=O)NC(C)(C)C2CC2)[nH+]1 ZINC000635603964 345888806 /nfs/dbraw/zinc/88/88/06/345888806.db2.gz BQIDTIXFGSWABR-UHFFFAOYSA-N 1 2 235.331 1.819 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)[nH+]1 ZINC000635610665 345891379 /nfs/dbraw/zinc/89/13/79/345891379.db2.gz GRCVRHUCFKAPPS-PHIMTYICSA-N 1 2 247.342 1.629 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC(C)(C)OC)[nH+]1 ZINC000635615206 345893708 /nfs/dbraw/zinc/89/37/08/345893708.db2.gz JCHAOKGXQMKWEO-UHFFFAOYSA-N 1 2 239.319 1.056 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)nc1 ZINC000335941896 345896136 /nfs/dbraw/zinc/89/61/36/345896136.db2.gz WQOHBJNWNWUHJY-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)nc1 ZINC000335941896 345896140 /nfs/dbraw/zinc/89/61/40/345896140.db2.gz WQOHBJNWNWUHJY-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cc[nH+]c(NCC(N)=O)c1Br ZINC000235788630 345869849 /nfs/dbraw/zinc/86/98/49/345869849.db2.gz GLVPPNRPTSBCMV-UHFFFAOYSA-N 1 2 244.092 1.050 20 0 BDADLO Cc1cc(C2(C(=O)NCc3c[nH+]c[nH]3)CC2)on1 ZINC000635588087 345882327 /nfs/dbraw/zinc/88/23/27/345882327.db2.gz ARBXYVJFFHOPCX-UHFFFAOYSA-N 1 2 246.270 1.054 20 0 BDADLO Cc1cc(C2(C(=O)NCc3c[nH]c[nH+]3)CC2)on1 ZINC000635588087 345882333 /nfs/dbraw/zinc/88/23/33/345882333.db2.gz ARBXYVJFFHOPCX-UHFFFAOYSA-N 1 2 246.270 1.054 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635630666 345905635 /nfs/dbraw/zinc/90/56/35/345905635.db2.gz CVIUTCBXTUEHQG-MWLCHTKSSA-N 1 2 235.331 1.819 20 0 BDADLO CN(Cc1ccccc1)c1cc(N)nc[nH+]1 ZINC000082426427 345909498 /nfs/dbraw/zinc/90/94/98/345909498.db2.gz BAESJCWEKIWHJS-UHFFFAOYSA-N 1 2 214.272 1.695 20 0 BDADLO CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635642313 345916383 /nfs/dbraw/zinc/91/63/83/345916383.db2.gz OBNBRBVOVCKNKZ-YDYPAMBWSA-N 1 2 219.288 1.428 20 0 BDADLO CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635642313 345916385 /nfs/dbraw/zinc/91/63/85/345916385.db2.gz OBNBRBVOVCKNKZ-YDYPAMBWSA-N 1 2 219.288 1.428 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2(C)CC2)[nH+]1 ZINC000635647341 345924184 /nfs/dbraw/zinc/92/41/84/345924184.db2.gz ULBHCEULIFCMTG-UHFFFAOYSA-N 1 2 221.304 1.431 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635675496 345972413 /nfs/dbraw/zinc/97/24/13/345972413.db2.gz IFGZDUHWKFWSDX-LMLFDSFASA-N 1 2 233.315 1.913 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635675496 345972417 /nfs/dbraw/zinc/97/24/17/345972417.db2.gz IFGZDUHWKFWSDX-LMLFDSFASA-N 1 2 233.315 1.913 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CC=CC2)[nH+]1 ZINC000635681962 345976179 /nfs/dbraw/zinc/97/61/79/345976179.db2.gz JAIYMNJNTGDXHX-UHFFFAOYSA-N 1 2 219.288 1.349 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000635682967 345976981 /nfs/dbraw/zinc/97/69/81/345976981.db2.gz GRCSNFJHKYKBEB-HTQZYQBOSA-N 1 2 231.259 1.183 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000635682967 345976984 /nfs/dbraw/zinc/97/69/84/345976984.db2.gz GRCSNFJHKYKBEB-HTQZYQBOSA-N 1 2 231.259 1.183 20 0 BDADLO Cc1cn2ccc(C(=O)NC[C@H](C)CO)cc2[nH+]1 ZINC000635693015 345978181 /nfs/dbraw/zinc/97/81/81/345978181.db2.gz VWUSBZWHKCNKGX-VIFPVBQESA-N 1 2 247.298 1.001 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@@H](C)CCO)cc2[nH+]1 ZINC000635693671 345978661 /nfs/dbraw/zinc/97/86/61/345978661.db2.gz AXZKYMAMZNJSQS-VIFPVBQESA-N 1 2 247.298 1.143 20 0 BDADLO Cc1cn2ccc(C(=O)NCCCF)cc2[nH+]1 ZINC000635708902 345995807 /nfs/dbraw/zinc/99/58/07/345995807.db2.gz YUIVHGACWAJCPO-UHFFFAOYSA-N 1 2 235.262 1.732 20 0 BDADLO CC1CCN(C(=O)COc2cc[nH+]cc2)CC1 ZINC000202272916 345988188 /nfs/dbraw/zinc/98/81/88/345988188.db2.gz XBKZBPONRPLTDV-UHFFFAOYSA-N 1 2 234.299 1.719 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000419017271 192094416 /nfs/dbraw/zinc/09/44/16/192094416.db2.gz NTOFTTZVTGWBHH-IVZWLZJFSA-N 1 2 249.362 1.727 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@@H](C)[C@H]2C)[nH+]1 ZINC000419017271 192094417 /nfs/dbraw/zinc/09/44/17/192094417.db2.gz NTOFTTZVTGWBHH-IVZWLZJFSA-N 1 2 249.362 1.727 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC1 ZINC000635738035 346045245 /nfs/dbraw/zinc/04/52/45/346045245.db2.gz ZFMPMIIQJMLWGB-FBIMIBRVSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC1 ZINC000635738035 346045246 /nfs/dbraw/zinc/04/52/46/346045246.db2.gz ZFMPMIIQJMLWGB-FBIMIBRVSA-N 1 2 233.315 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H](C3CC3)C2)[nH+]1 ZINC000635748726 346047710 /nfs/dbraw/zinc/04/77/10/346047710.db2.gz FNRORGVVLKECOV-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635890539 346102225 /nfs/dbraw/zinc/10/22/25/346102225.db2.gz YNAVXUOJTSFUIJ-GHMZBOCLSA-N 1 2 231.299 1.692 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635890539 346102227 /nfs/dbraw/zinc/10/22/27/346102227.db2.gz YNAVXUOJTSFUIJ-GHMZBOCLSA-N 1 2 231.299 1.692 20 0 BDADLO CC(C)=C(C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000635985627 346138746 /nfs/dbraw/zinc/13/87/46/346138746.db2.gz IZMNHUUMNLUVDF-NSHDSACASA-N 1 2 233.315 1.670 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635947498 346119888 /nfs/dbraw/zinc/11/98/88/346119888.db2.gz YWCGDWRVBUJFIY-ZYUZMQFOSA-N 1 2 237.303 1.053 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635947498 346119890 /nfs/dbraw/zinc/11/98/90/346119890.db2.gz YWCGDWRVBUJFIY-ZYUZMQFOSA-N 1 2 237.303 1.053 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635966290 346125979 /nfs/dbraw/zinc/12/59/79/346125979.db2.gz PAUDJHDAZYXZTC-NXEZZACHSA-N 1 2 233.315 1.818 20 0 BDADLO CC(C)C1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635966290 346125982 /nfs/dbraw/zinc/12/59/82/346125982.db2.gz PAUDJHDAZYXZTC-NXEZZACHSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1C ZINC000635967298 346126638 /nfs/dbraw/zinc/12/66/38/346126638.db2.gz YKUPERKZXJZGIT-ZYUZMQFOSA-N 1 2 219.288 1.380 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1C ZINC000635967298 346126639 /nfs/dbraw/zinc/12/66/39/346126639.db2.gz YKUPERKZXJZGIT-ZYUZMQFOSA-N 1 2 219.288 1.380 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]2C(F)F)[nH+]1 ZINC000635985000 346138224 /nfs/dbraw/zinc/13/82/24/346138224.db2.gz DBJIYZWELJUOPQ-MRVPVSSYSA-N 1 2 243.257 1.381 20 0 BDADLO Cc1cc(NC(=O)N2CCOC[C@@H]2C)c(C)c[nH+]1 ZINC000574900065 346169396 /nfs/dbraw/zinc/16/93/96/346169396.db2.gz DGPRNCJFGWFPTF-NSHDSACASA-N 1 2 249.314 1.373 20 0 BDADLO Cc1[nH]c(CN2CC[C@H](n3cncn3)C2)[nH+]c1C ZINC000628241328 346203837 /nfs/dbraw/zinc/20/38/37/346203837.db2.gz RGSXJVVCQQELSA-NSHDSACASA-N 1 2 246.318 1.065 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](n3cncn3)C2)[nH]c1C ZINC000628241328 346203838 /nfs/dbraw/zinc/20/38/38/346203838.db2.gz RGSXJVVCQQELSA-NSHDSACASA-N 1 2 246.318 1.065 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](n3cncn3)C2)[nH]c1C ZINC000628241328 346203840 /nfs/dbraw/zinc/20/38/40/346203840.db2.gz RGSXJVVCQQELSA-NSHDSACASA-N 1 2 246.318 1.065 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000628245140 346209755 /nfs/dbraw/zinc/20/97/55/346209755.db2.gz KPSTZMLBTFIHKB-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000628245140 346209757 /nfs/dbraw/zinc/20/97/57/346209757.db2.gz KPSTZMLBTFIHKB-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628245106 346209775 /nfs/dbraw/zinc/20/97/75/346209775.db2.gz JRVBLOCXGOORNM-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2oc(C)nc2C)[nH]1 ZINC000628231618 346184242 /nfs/dbraw/zinc/18/42/42/346184242.db2.gz VHKNQMQWONSLOU-QMMMGPOBSA-N 1 2 249.318 1.823 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000631156332 346278732 /nfs/dbraw/zinc/27/87/32/346278732.db2.gz LPSKFGGCSMNALD-BBBLOLIVSA-N 1 2 237.303 1.182 20 0 BDADLO Cc1ncc(C[NH2+][C@H](c2nccn2C)C2CC2)o1 ZINC000628272001 346282495 /nfs/dbraw/zinc/28/24/95/346282495.db2.gz ZWMGGIGMTGSRTE-LBPRGKRZSA-N 1 2 246.314 1.957 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc3n(n2)CCC3)nc1 ZINC000641766299 362697932 /nfs/dbraw/zinc/69/79/32/362697932.db2.gz LDRGRMNURUILEX-UHFFFAOYSA-N 1 2 242.326 1.823 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000636224907 346359338 /nfs/dbraw/zinc/35/93/38/346359338.db2.gz MUEMUMGOZBUODE-GWOFURMSSA-N 1 2 231.299 1.382 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000636224907 346359341 /nfs/dbraw/zinc/35/93/41/346359341.db2.gz MUEMUMGOZBUODE-GWOFURMSSA-N 1 2 231.299 1.382 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2=CCCC2)[nH+]1 ZINC000636227868 346361242 /nfs/dbraw/zinc/36/12/42/346361242.db2.gz YXFOYLCURGEGNG-UHFFFAOYSA-N 1 2 233.315 1.741 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(CC3CC3)C2)[nH+]1 ZINC000636242312 346366430 /nfs/dbraw/zinc/36/64/30/346366430.db2.gz BCWLHCAIKSHXKD-UHFFFAOYSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)c1ccon1 ZINC000574927488 346415750 /nfs/dbraw/zinc/41/57/50/346415750.db2.gz LHGGZIRYHMSMNW-QMMMGPOBSA-N 1 2 218.260 1.676 20 0 BDADLO Cn1c[nH+]c2c1CCN(CC(F)F)C2 ZINC000603412528 349961569 /nfs/dbraw/zinc/96/15/69/349961569.db2.gz CWEYHMIRWQPWCU-UHFFFAOYSA-N 1 2 201.220 1.043 20 0 BDADLO Cn1cnc2c1CC[N@H+](CC(F)F)C2 ZINC000603412528 349961571 /nfs/dbraw/zinc/96/15/71/349961571.db2.gz CWEYHMIRWQPWCU-UHFFFAOYSA-N 1 2 201.220 1.043 20 0 BDADLO Cn1cnc2c1CC[N@@H+](CC(F)F)C2 ZINC000603412528 349961574 /nfs/dbraw/zinc/96/15/74/349961574.db2.gz CWEYHMIRWQPWCU-UHFFFAOYSA-N 1 2 201.220 1.043 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1F ZINC000679223829 488320942 /nfs/dbraw/zinc/32/09/42/488320942.db2.gz LZUWRORZEQNPRJ-RYUDHWBXSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@H]1F ZINC000679225887 488321584 /nfs/dbraw/zinc/32/15/84/488321584.db2.gz YTBYHQZMAFDFGS-CMPLNLGQSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@H]1F ZINC000679225887 488321585 /nfs/dbraw/zinc/32/15/85/488321585.db2.gz YTBYHQZMAFDFGS-CMPLNLGQSA-N 1 2 242.338 1.725 20 0 BDADLO Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000641800706 362752104 /nfs/dbraw/zinc/75/21/04/362752104.db2.gz DFFBAXNFRPRBET-GXTWGEPZSA-N 1 2 248.374 1.037 20 0 BDADLO Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000641800706 362752107 /nfs/dbraw/zinc/75/21/07/362752107.db2.gz DFFBAXNFRPRBET-GXTWGEPZSA-N 1 2 248.374 1.037 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000621043556 346585574 /nfs/dbraw/zinc/58/55/74/346585574.db2.gz KJEINZWJXGAEBR-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000621043556 346585577 /nfs/dbraw/zinc/58/55/77/346585577.db2.gz KJEINZWJXGAEBR-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)CCn1cc[nH+]c1 ZINC000621049498 346597551 /nfs/dbraw/zinc/59/75/51/346597551.db2.gz GTEIYQVAAAFZNZ-LLVKDONJSA-N 1 2 235.331 1.778 20 0 BDADLO CC[N@H+](CC(=O)Nc1ccon1)Cc1ccoc1 ZINC000588169395 346644870 /nfs/dbraw/zinc/64/48/70/346644870.db2.gz YAXKKPZOWYYSJH-UHFFFAOYSA-N 1 2 249.270 1.150 20 0 BDADLO CC[N@@H+](CC(=O)Nc1ccon1)Cc1ccoc1 ZINC000588169395 346644871 /nfs/dbraw/zinc/64/48/71/346644871.db2.gz YAXKKPZOWYYSJH-UHFFFAOYSA-N 1 2 249.270 1.150 20 0 BDADLO CC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(F)F ZINC000580197776 346654832 /nfs/dbraw/zinc/65/48/32/346654832.db2.gz GHNMVEZUOCFYAN-RKDXNWHRSA-N 1 2 245.273 1.994 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@H](C)[S@@]1=O ZINC000589186529 346672241 /nfs/dbraw/zinc/67/22/41/346672241.db2.gz DIEYNQYSGFZFPG-ZXLZKYRFSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@H](C)[S@@]1=O ZINC000589186529 346672244 /nfs/dbraw/zinc/67/22/44/346672244.db2.gz DIEYNQYSGFZFPG-ZXLZKYRFSA-N 1 2 241.360 1.141 20 0 BDADLO Cc1nc(N(C)C)nc(NC2(CF)CCC2)[nH+]1 ZINC000580189636 346639179 /nfs/dbraw/zinc/63/91/79/346639179.db2.gz VUELQFFEOZIKQL-UHFFFAOYSA-N 1 2 239.298 1.550 20 0 BDADLO Cc1nc(NC2(CF)CCC2)nc(N(C)C)[nH+]1 ZINC000580189636 346639183 /nfs/dbraw/zinc/63/91/83/346639183.db2.gz VUELQFFEOZIKQL-UHFFFAOYSA-N 1 2 239.298 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000589604215 346717242 /nfs/dbraw/zinc/71/72/42/346717242.db2.gz MGJUQNSCHGHEJP-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCCO[C@H](C)C2)n1 ZINC000589604215 346717245 /nfs/dbraw/zinc/71/72/45/346717245.db2.gz MGJUQNSCHGHEJP-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO O=C(c1ccco1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589988634 346761857 /nfs/dbraw/zinc/76/18/57/346761857.db2.gz UIUGZIKJCNBIRT-UHFFFAOYSA-N 1 2 244.250 1.578 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCC(C)(C)O1)c1[nH]cc[nH+]1 ZINC000580658193 365854286 /nfs/dbraw/zinc/85/42/86/365854286.db2.gz JMSXAQBKPHJKLX-BDAKNGLRSA-N 1 2 237.303 1.545 20 0 BDADLO CCc1nc(C[NH2+][C@@H](COC)C2CC2)no1 ZINC000181560337 346755111 /nfs/dbraw/zinc/75/51/11/346755111.db2.gz XVHNLPVQVXKJLC-VIFPVBQESA-N 1 2 225.292 1.147 20 0 BDADLO Cc1nccnc1CCNc1cccc[nH+]1 ZINC000378679308 346804792 /nfs/dbraw/zinc/80/47/92/346804792.db2.gz TXSHTUXLHAHZCV-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CCN(Cc1c[nH+]cn1C)CC(F)F ZINC000185749503 347212713 /nfs/dbraw/zinc/21/27/13/347212713.db2.gz MRZUWYOUMWJNGB-UHFFFAOYSA-N 1 2 203.236 1.507 20 0 BDADLO COCC1(CCNc2cc[nH+]c(C)n2)CC1 ZINC000563052556 347214623 /nfs/dbraw/zinc/21/46/23/347214623.db2.gz DJWWGAFUPNABBO-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO CCc1nnc(C[N@H+]2CC=C(COC)CC2)[nH]1 ZINC000185828795 347216073 /nfs/dbraw/zinc/21/60/73/347216073.db2.gz DTPWHPBRPQVDTP-UHFFFAOYSA-N 1 2 236.319 1.146 20 0 BDADLO CCc1nnc(C[N@@H+]2CC=C(COC)CC2)[nH]1 ZINC000185828795 347216076 /nfs/dbraw/zinc/21/60/76/347216076.db2.gz DTPWHPBRPQVDTP-UHFFFAOYSA-N 1 2 236.319 1.146 20 0 BDADLO CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)C(=O)OC ZINC000388211714 347238147 /nfs/dbraw/zinc/23/81/47/347238147.db2.gz GJLZXOCTKPJQPR-MIMYLULJSA-N 1 2 229.320 1.341 20 0 BDADLO CO[C@@H]([C@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000388236208 347254432 /nfs/dbraw/zinc/25/44/32/347254432.db2.gz OQTQYQXVIDQHJN-KWQFWETISA-N 1 2 209.293 1.313 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1ncnn1C)CC2 ZINC000277310763 179216342 /nfs/dbraw/zinc/21/63/42/179216342.db2.gz UQAYWHDEEWCNHJ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1ncnn1C)CC2 ZINC000277310763 179216344 /nfs/dbraw/zinc/21/63/44/179216344.db2.gz UQAYWHDEEWCNHJ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CCO[C@H](C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000626225794 347383559 /nfs/dbraw/zinc/38/35/59/347383559.db2.gz LIZJLDVFRIVOOJ-ZDUSSCGKSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccn[nH]1)C2 ZINC000289729839 179220785 /nfs/dbraw/zinc/22/07/85/179220785.db2.gz VFJWIQKKCQJLLO-ZDUSSCGKSA-N 1 2 243.310 1.811 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000616920979 347449979 /nfs/dbraw/zinc/44/99/79/347449979.db2.gz ANUCSNBYPUYLPT-JLLWLGSASA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000616920979 347449982 /nfs/dbraw/zinc/44/99/82/347449982.db2.gz ANUCSNBYPUYLPT-JLLWLGSASA-N 1 2 233.315 1.804 20 0 BDADLO Cc1cncc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616925357 347455677 /nfs/dbraw/zinc/45/56/77/347455677.db2.gz FJSBXSMQJXSDSO-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1cncc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616925357 347455678 /nfs/dbraw/zinc/45/56/78/347455678.db2.gz FJSBXSMQJXSDSO-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CCC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924871 347456094 /nfs/dbraw/zinc/45/60/94/347456094.db2.gz ZDEOMMMXBSRCEH-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO CCC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924871 347456095 /nfs/dbraw/zinc/45/60/95/347456095.db2.gz ZDEOMMMXBSRCEH-UHFFFAOYSA-N 1 2 209.293 1.804 20 0 BDADLO C[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000642062814 362839335 /nfs/dbraw/zinc/83/93/35/362839335.db2.gz PKSGHHGKXJCHRF-SNVBAGLBSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1cccc2nc[nH+]c(N3CCOCCN3)c12 ZINC000288851362 179233398 /nfs/dbraw/zinc/23/33/98/179233398.db2.gz DHBYAKFJQVPRGW-UHFFFAOYSA-N 1 2 244.298 1.279 20 0 BDADLO Cc1ccccc1-c1noc([C@@H]([NH3+])CO)n1 ZINC000021811275 179241215 /nfs/dbraw/zinc/24/12/15/179241215.db2.gz VAECNYILPAEEBR-VIFPVBQESA-N 1 2 219.244 1.037 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928800 347495980 /nfs/dbraw/zinc/49/59/80/347495980.db2.gz MTBRTUMDLHTHHT-ONGXEEELSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928800 347495982 /nfs/dbraw/zinc/49/59/82/347495982.db2.gz MTBRTUMDLHTHHT-ONGXEEELSA-N 1 2 239.319 1.429 20 0 BDADLO O=C(C1CCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590729515 347497501 /nfs/dbraw/zinc/49/75/01/347497501.db2.gz DHTJVASHVKIOHC-LBPRGKRZSA-N 1 2 233.315 1.847 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616926503 347458178 /nfs/dbraw/zinc/45/81/78/347458178.db2.gz FNHXEAYKNALYQK-QWRGUYRKSA-N 1 2 237.303 1.326 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616926503 347458182 /nfs/dbraw/zinc/45/81/82/347458182.db2.gz FNHXEAYKNALYQK-QWRGUYRKSA-N 1 2 237.303 1.326 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C1CC1)C1CC1 ZINC000616927036 347459292 /nfs/dbraw/zinc/45/92/92/347459292.db2.gz ZCUNFSDVJSBRPM-UHFFFAOYSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C1CC1)C1CC1 ZINC000616927036 347459295 /nfs/dbraw/zinc/45/92/95/347459295.db2.gz ZCUNFSDVJSBRPM-UHFFFAOYSA-N 1 2 233.315 1.804 20 0 BDADLO CCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000616927020 347459755 /nfs/dbraw/zinc/45/97/55/347459755.db2.gz YPDQIMLAGKMUEG-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000616927020 347459756 /nfs/dbraw/zinc/45/97/56/347459756.db2.gz YPDQIMLAGKMUEG-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC1(C)C ZINC000616926836 347459785 /nfs/dbraw/zinc/45/97/85/347459785.db2.gz RNKCFDSZKPGNRO-SECBINFHSA-N 1 2 207.277 1.414 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC1(C)C ZINC000616926836 347459789 /nfs/dbraw/zinc/45/97/89/347459789.db2.gz RNKCFDSZKPGNRO-SECBINFHSA-N 1 2 207.277 1.414 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCCS1 ZINC000616927160 347460820 /nfs/dbraw/zinc/46/08/20/347460820.db2.gz BOGCXDHCMJMDMM-SNVBAGLBSA-N 1 2 239.344 1.654 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCCS1 ZINC000616927160 347460823 /nfs/dbraw/zinc/46/08/23/347460823.db2.gz BOGCXDHCMJMDMM-SNVBAGLBSA-N 1 2 239.344 1.654 20 0 BDADLO CC1(C)CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000580687065 365879121 /nfs/dbraw/zinc/87/91/21/365879121.db2.gz NERFGECFKMOJGA-LLVKDONJSA-N 1 2 249.314 1.224 20 0 BDADLO CCOC(=O)[C@H](CC)N1CCn2c[nH+]cc2C1 ZINC000590599046 347479882 /nfs/dbraw/zinc/47/98/82/347479882.db2.gz FHSCVAJOXOMZIS-NSHDSACASA-N 1 2 237.303 1.040 20 0 BDADLO CCOCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590733542 347504037 /nfs/dbraw/zinc/50/40/37/347504037.db2.gz QCQISNVRQHPPKT-NSHDSACASA-N 1 2 237.303 1.083 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1C ZINC000336064683 179250529 /nfs/dbraw/zinc/25/05/29/179250529.db2.gz WZRUWQYYWAKNKA-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO NC(=O)C[N@H+](Cc1cscn1)C1CCCC1 ZINC000590840673 347570342 /nfs/dbraw/zinc/57/03/42/347570342.db2.gz WSDQEPUFTKWJNJ-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO NC(=O)C[N@@H+](Cc1cscn1)C1CCCC1 ZINC000590840673 347570344 /nfs/dbraw/zinc/57/03/44/347570344.db2.gz WSDQEPUFTKWJNJ-UHFFFAOYSA-N 1 2 239.344 1.373 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC1(O)CCC1)C(C)(C)C ZINC000591019328 347605584 /nfs/dbraw/zinc/60/55/84/347605584.db2.gz WFLFCKCCZGQZLU-JTQLQIEISA-N 1 2 243.347 1.469 20 0 BDADLO CSC[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000591147437 347621526 /nfs/dbraw/zinc/62/15/26/347621526.db2.gz AHTDGDJNGDDQKK-ZETCQYMHSA-N 1 2 240.332 1.444 20 0 BDADLO CSC[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000591147437 347621528 /nfs/dbraw/zinc/62/15/28/347621528.db2.gz AHTDGDJNGDDQKK-ZETCQYMHSA-N 1 2 240.332 1.444 20 0 BDADLO C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636644779 347647338 /nfs/dbraw/zinc/64/73/38/347647338.db2.gz YBXRWPVHLHMDLN-KOLCDFICSA-N 1 2 248.330 1.153 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1ncnn1C ZINC000157364461 179268603 /nfs/dbraw/zinc/26/86/03/179268603.db2.gz NKYXAFNNHQSDMS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1ncnn1C ZINC000157364461 179268605 /nfs/dbraw/zinc/26/86/05/179268605.db2.gz NKYXAFNNHQSDMS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](CC(C)C)OC ZINC000419185506 192108107 /nfs/dbraw/zinc/10/81/07/192108107.db2.gz HBEIBUNQTDZGOS-LLVKDONJSA-N 1 2 231.336 1.542 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](CC(C)C)OC ZINC000419185506 192108109 /nfs/dbraw/zinc/10/81/09/192108109.db2.gz HBEIBUNQTDZGOS-LLVKDONJSA-N 1 2 231.336 1.542 20 0 BDADLO CSCCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493268275 347667169 /nfs/dbraw/zinc/66/71/69/347667169.db2.gz ZPWKHMVHFYIIIT-SNAWJCMRSA-N 1 2 239.344 1.682 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592187650 347760609 /nfs/dbraw/zinc/76/06/09/347760609.db2.gz JZVJMYFZHPFVMU-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592187650 347760612 /nfs/dbraw/zinc/76/06/12/347760612.db2.gz JZVJMYFZHPFVMU-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592186629 347760809 /nfs/dbraw/zinc/76/08/09/347760809.db2.gz DZFPWJHRVOIWCF-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592186629 347760810 /nfs/dbraw/zinc/76/08/10/347760810.db2.gz DZFPWJHRVOIWCF-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@@H](C)C[C@@H]([NH2+]C1CSC1)C(=O)OC ZINC000592517644 347794285 /nfs/dbraw/zinc/79/42/85/347794285.db2.gz ZUWCLQZIARICGS-PSASIEDQSA-N 1 2 231.361 1.669 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCOC1 ZINC000592525443 347795049 /nfs/dbraw/zinc/79/50/49/347795049.db2.gz LVMGXRTZDYIRSN-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000592517543 347793292 /nfs/dbraw/zinc/79/32/92/347793292.db2.gz RERVCNWKDJUTPB-DCAQKATOSA-N 1 2 231.336 1.589 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679682683 488364229 /nfs/dbraw/zinc/36/42/29/488364229.db2.gz SRAUOBYANDOOCJ-VIFPVBQESA-N 1 2 245.273 1.624 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593097570 347855293 /nfs/dbraw/zinc/85/52/93/347855293.db2.gz NNXYSJGZCINXOJ-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593097570 347855294 /nfs/dbraw/zinc/85/52/94/347855294.db2.gz NNXYSJGZCINXOJ-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO CCN(CCSC)C(=O)CCc1[nH]cc[nH+]1 ZINC000592917534 347832838 /nfs/dbraw/zinc/83/28/38/347832838.db2.gz ILMZGZVEAOGIOB-UHFFFAOYSA-N 1 2 241.360 1.554 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117818 347863002 /nfs/dbraw/zinc/86/30/02/347863002.db2.gz SOAVXIKHCVJDRN-VIFPVBQESA-N 1 2 219.231 1.281 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117818 347863004 /nfs/dbraw/zinc/86/30/04/347863004.db2.gz SOAVXIKHCVJDRN-VIFPVBQESA-N 1 2 219.231 1.281 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)COCC1CC1)C(=O)OC ZINC000593182808 347869013 /nfs/dbraw/zinc/86/90/13/347869013.db2.gz FWQLHVCPRILJDV-GXSJLCMTSA-N 1 2 229.320 1.343 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679682683 488364230 /nfs/dbraw/zinc/36/42/30/488364230.db2.gz SRAUOBYANDOOCJ-VIFPVBQESA-N 1 2 245.273 1.624 20 0 BDADLO Cn1cc[nH+]c1CN1CCC[C@H](OC(F)F)C1 ZINC000679682683 488364231 /nfs/dbraw/zinc/36/42/31/488364231.db2.gz SRAUOBYANDOOCJ-VIFPVBQESA-N 1 2 245.273 1.624 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCCCC[C@H]1C)C(=O)OC ZINC000593625082 347917551 /nfs/dbraw/zinc/91/75/51/347917551.db2.gz IMOCOTCQSZTZCI-WOPDTQHZSA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577413114 365950488 /nfs/dbraw/zinc/95/04/88/365950488.db2.gz QVUOQSINQZYGEA-CMPLNLGQSA-N 1 2 235.331 1.845 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577413114 365950492 /nfs/dbraw/zinc/95/04/92/365950492.db2.gz QVUOQSINQZYGEA-CMPLNLGQSA-N 1 2 235.331 1.845 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H]1SC ZINC000425370668 323173888 /nfs/dbraw/zinc/17/38/88/323173888.db2.gz OWEVTRDTYSBPCZ-OUAUKWLOSA-N 1 2 243.372 1.812 20 0 BDADLO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCCO1)C(=O)OC ZINC000594551511 348067629 /nfs/dbraw/zinc/06/76/29/348067629.db2.gz FREQPDQIAFQVDZ-SDDRHHMPSA-N 1 2 243.347 1.875 20 0 BDADLO FC1(C[NH2+]Cc2n[nH]cc2Br)CC1 ZINC000308399987 323174271 /nfs/dbraw/zinc/17/42/71/323174271.db2.gz HQLZLVNLFQOGAP-UHFFFAOYSA-N 1 2 248.099 1.764 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)c1ccccn1)C(=O)OC ZINC000594710218 348104032 /nfs/dbraw/zinc/10/40/32/348104032.db2.gz JLZVVNWMTSDNNK-QWRGUYRKSA-N 1 2 236.315 1.726 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(C)(C)F)C1CC1 ZINC000594733109 348108987 /nfs/dbraw/zinc/10/89/87/348108987.db2.gz XRQYGPLYAIUSGP-VIFPVBQESA-N 1 2 217.284 1.666 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)C(=O)OC ZINC000594615886 348084056 /nfs/dbraw/zinc/08/40/56/348084056.db2.gz XBBYOANDCIDMFP-BBBLOLIVSA-N 1 2 247.360 1.048 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000594935031 348141338 /nfs/dbraw/zinc/14/13/38/348141338.db2.gz AZRNKZYJYRHIQV-GJMOJQLCSA-N 1 2 233.258 1.571 20 0 BDADLO Cc1cccnc1C[N@H+](C1CC1)C1COC1 ZINC000296117806 179373634 /nfs/dbraw/zinc/37/36/34/179373634.db2.gz SUTUQMSGIHEWTG-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cccnc1C[N@@H+](C1CC1)C1COC1 ZINC000296117806 179373636 /nfs/dbraw/zinc/37/36/36/179373636.db2.gz SUTUQMSGIHEWTG-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1nnc(CNc2cccc[nH+]2)s1 ZINC000307366519 323178121 /nfs/dbraw/zinc/17/81/21/323178121.db2.gz LBUKCWANAIEGTK-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO Cc1cccnc1C[N@H+](C)CC(=O)NC1CC1 ZINC000093158520 179371223 /nfs/dbraw/zinc/37/12/23/179371223.db2.gz QPTXGUULPSTRTH-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccnc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000093158520 179371225 /nfs/dbraw/zinc/37/12/25/179371225.db2.gz QPTXGUULPSTRTH-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CSC[C@@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000595353542 348228938 /nfs/dbraw/zinc/22/89/38/348228938.db2.gz RHQVLIWMYYRNPA-JTQLQIEISA-N 1 2 226.349 1.175 20 0 BDADLO CSC[C@@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000595353542 348228941 /nfs/dbraw/zinc/22/89/41/348228941.db2.gz RHQVLIWMYYRNPA-JTQLQIEISA-N 1 2 226.349 1.175 20 0 BDADLO CSC[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000595512791 348267131 /nfs/dbraw/zinc/26/71/31/348267131.db2.gz YMAVBMSITZMCLB-MRVPVSSYSA-N 1 2 242.348 1.303 20 0 BDADLO CSC[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000595512791 348267134 /nfs/dbraw/zinc/26/71/34/348267134.db2.gz YMAVBMSITZMCLB-MRVPVSSYSA-N 1 2 242.348 1.303 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCCC(C)(C)C ZINC000595531713 348274086 /nfs/dbraw/zinc/27/40/86/348274086.db2.gz JGIPVLKIBCFLDQ-LBPRGKRZSA-N 1 2 231.336 1.326 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CC12CCC(CC1)C2 ZINC000595532892 348274762 /nfs/dbraw/zinc/27/47/62/348274762.db2.gz VWISVYNFYMWDEZ-YDGIUTOCSA-N 1 2 241.331 1.080 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCCC1CCC1 ZINC000595534305 348275473 /nfs/dbraw/zinc/27/54/73/348275473.db2.gz SHRAFWMTGYOFCR-GFCCVEGCSA-N 1 2 229.320 1.080 20 0 BDADLO COC(=O)CC1(C[N@H+](C)Cc2cnc[nH]2)CC1 ZINC000595592459 348278469 /nfs/dbraw/zinc/27/84/69/348278469.db2.gz OWPXWYJKGBPGPV-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)CC1(C[N@@H+](C)Cc2cnc[nH]2)CC1 ZINC000595592459 348278470 /nfs/dbraw/zinc/27/84/70/348278470.db2.gz OWPXWYJKGBPGPV-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1C[C@@H](OCC)C1)C(=O)OCC ZINC000419307046 192120217 /nfs/dbraw/zinc/12/02/17/192120217.db2.gz TZQWGTRSQPYEAI-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595809937 348349933 /nfs/dbraw/zinc/34/99/33/348349933.db2.gz UWGYYFOSBRHOBU-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595809937 348349938 /nfs/dbraw/zinc/34/99/38/348349938.db2.gz UWGYYFOSBRHOBU-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@H](C[NH2+][C@@](C)(CCF)C(=O)OC)OC ZINC000595771761 348336704 /nfs/dbraw/zinc/33/67/04/348336704.db2.gz FISMFQUVOPMNDW-KOLCDFICSA-N 1 2 235.299 1.292 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595779250 348339505 /nfs/dbraw/zinc/33/95/05/348339505.db2.gz BJWPSOJOKCBTBA-HBNTYKKESA-N 1 2 241.331 1.221 20 0 BDADLO C/C=C\CNC(=O)NCCCCn1cc[nH+]c1 ZINC000623486973 362911891 /nfs/dbraw/zinc/91/18/91/362911891.db2.gz OUTBQCMHJUMNKD-IHWYPQMZSA-N 1 2 236.319 1.539 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653533926 490163340 /nfs/dbraw/zinc/16/33/40/490163340.db2.gz OIDAJVAULDHSOM-SECBINFHSA-N 1 2 223.324 1.270 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653533926 490163348 /nfs/dbraw/zinc/16/33/48/490163348.db2.gz OIDAJVAULDHSOM-SECBINFHSA-N 1 2 223.324 1.270 20 0 BDADLO COC(=O)[C@H]([NH2+]CCCc1ccco1)C1CC1 ZINC000596045164 348428466 /nfs/dbraw/zinc/42/84/66/348428466.db2.gz AOHJVYFYWDWEQQ-GFCCVEGCSA-N 1 2 237.299 1.753 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](OC)C1CCCC1)C(=O)OC ZINC000596049389 348428850 /nfs/dbraw/zinc/42/88/50/348428850.db2.gz ZMXFKHILQSMJFT-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2C[C@H](C)[C@H](C)C2)c1 ZINC000596144062 348450276 /nfs/dbraw/zinc/45/02/76/348450276.db2.gz BOXCQVCMIHUQID-PHIMTYICSA-N 1 2 248.326 1.889 20 0 BDADLO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000402175433 349993727 /nfs/dbraw/zinc/99/37/27/349993727.db2.gz YCGGMFUPLJVHLL-OPRDCNLKSA-N 1 2 229.320 1.484 20 0 BDADLO CC[C@H](C(=O)Nc1cc[nH+]cc1C)[C@@H](C)O ZINC000419880070 192148026 /nfs/dbraw/zinc/14/80/26/192148026.db2.gz UDNNUDXDDALFMK-ZJUUUORDSA-N 1 2 222.288 1.157 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cnc(CC)s1 ZINC000597245301 348689032 /nfs/dbraw/zinc/68/90/32/348689032.db2.gz USCGKQYWVPDOSZ-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cnc(CC)s1 ZINC000597245301 348689033 /nfs/dbraw/zinc/68/90/33/348689033.db2.gz USCGKQYWVPDOSZ-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCOCC1CC1 ZINC000271118011 179707273 /nfs/dbraw/zinc/70/72/73/179707273.db2.gz IMFZMNZEXUUTPS-UHFFFAOYSA-N 1 2 249.314 1.938 20 0 BDADLO CSCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000598468541 348979710 /nfs/dbraw/zinc/97/97/10/348979710.db2.gz HOVOMFLTSOTDHW-UHFFFAOYSA-N 1 2 235.312 1.944 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1CC12CC2 ZINC000421769204 192380703 /nfs/dbraw/zinc/38/07/03/192380703.db2.gz HCDAGJHRLUHYLO-NSHDSACASA-N 1 2 245.326 1.800 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC(C2CCC2)C1 ZINC000341294722 538026495 /nfs/dbraw/zinc/02/64/95/538026495.db2.gz ICWROEYTQOXYJD-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC(C2CCC2)C1 ZINC000341294722 538026500 /nfs/dbraw/zinc/02/65/00/538026500.db2.gz ICWROEYTQOXYJD-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO COC(=O)[C@]1([NH2+]CC2CC(C)(C)C2)CCOC1 ZINC000599342509 349152918 /nfs/dbraw/zinc/15/29/18/349152918.db2.gz PTTCWIARUCXVGY-ZDUSSCGKSA-N 1 2 241.331 1.344 20 0 BDADLO COC(=O)CCCC[N@@H+]1CCC(F)(F)C1 ZINC000599354463 349164828 /nfs/dbraw/zinc/16/48/28/349164828.db2.gz WOYRZMNRSKVQGP-UHFFFAOYSA-N 1 2 221.247 1.671 20 0 BDADLO COC(=O)CCCC[N@H+]1CCC(F)(F)C1 ZINC000599354463 349164831 /nfs/dbraw/zinc/16/48/31/349164831.db2.gz WOYRZMNRSKVQGP-UHFFFAOYSA-N 1 2 221.247 1.671 20 0 BDADLO CC[C@](COC)([NH2+]C[C@@H]1C[C@H]1C)C(=O)OC ZINC000599437272 349175969 /nfs/dbraw/zinc/17/59/69/349175969.db2.gz MSBZNXZPPKMLEH-JFGNBEQYSA-N 1 2 229.320 1.200 20 0 BDADLO C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1[nH]cc[nH+]1 ZINC000252980234 349216350 /nfs/dbraw/zinc/21/63/50/349216350.db2.gz LLLNVDPVCBIZIT-IMSYWVGJSA-N 1 2 219.288 1.633 20 0 BDADLO COC(=O)[C@]1([NH2+]CCO)CCCC(C)(C)C1 ZINC000599559304 349217124 /nfs/dbraw/zinc/21/71/24/349217124.db2.gz TYRVNBCSPGQCBU-LBPRGKRZSA-N 1 2 229.320 1.080 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000599624896 349230859 /nfs/dbraw/zinc/23/08/59/349230859.db2.gz KFAFZAKQRDGBRX-DTHBNOIPSA-N 1 2 243.347 1.730 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C1CC1 ZINC000599623590 349230885 /nfs/dbraw/zinc/23/08/85/349230885.db2.gz AQQMCIQWWKNJKM-RNFDAIKLSA-N 1 2 241.331 1.340 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646447 349240360 /nfs/dbraw/zinc/24/03/60/349240360.db2.gz KDSKFTPRYYWJBF-GFCCVEGCSA-N 1 2 249.310 1.702 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646447 349240365 /nfs/dbraw/zinc/24/03/65/349240365.db2.gz KDSKFTPRYYWJBF-GFCCVEGCSA-N 1 2 249.310 1.702 20 0 BDADLO C[C@H](CO)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599650240 349234129 /nfs/dbraw/zinc/23/41/29/349234129.db2.gz PZLHDTHCHFQTEN-VIFPVBQESA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599651395 349234151 /nfs/dbraw/zinc/23/41/51/349234151.db2.gz GZMAFMFZLFKDMG-SECBINFHSA-N 1 2 231.336 1.467 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603809152 350036671 /nfs/dbraw/zinc/03/66/71/350036671.db2.gz QFIJYIUKXFAUDS-QMMMGPOBSA-N 1 2 219.244 1.308 20 0 BDADLO Cn1cccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603809125 350036815 /nfs/dbraw/zinc/03/68/15/350036815.db2.gz OVIUXLNBFLHMSG-UHFFFAOYSA-N 1 2 240.266 1.925 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000603813939 350038194 /nfs/dbraw/zinc/03/81/94/350038194.db2.gz ZVKFSOAJSHNPDB-LLVKDONJSA-N 1 2 231.299 1.623 20 0 BDADLO CC(C)[NH+]1CCC([NH2+]CCN(C)C)CC1 ZINC000021963954 350065061 /nfs/dbraw/zinc/06/50/61/350065061.db2.gz GIKATCHCHUWUGD-UHFFFAOYSA-N 1 2 213.369 1.010 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](CO)[C@H]2C)[nH+]1 ZINC000362685031 180004099 /nfs/dbraw/zinc/00/40/99/180004099.db2.gz QWLHLVIGAQWYTF-SCZZXKLOSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc([C@H](C)N(C)CCCn2cc[nH+]c2)no1 ZINC000278663926 180047403 /nfs/dbraw/zinc/04/74/03/180047403.db2.gz QPFXRQQVENZVEK-JTQLQIEISA-N 1 2 249.318 1.658 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCCO[C@@H](C)C2)no1 ZINC000329807250 180047682 /nfs/dbraw/zinc/04/76/82/180047682.db2.gz BIYFIUQEWSAEJI-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCCO[C@@H](C)C2)no1 ZINC000329807250 180047685 /nfs/dbraw/zinc/04/76/85/180047685.db2.gz BIYFIUQEWSAEJI-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccon2)[nH+]1 ZINC000353269482 180059505 /nfs/dbraw/zinc/05/95/05/180059505.db2.gz UHNSWAARHCIMAC-ZETCQYMHSA-N 1 2 243.270 1.849 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CC[C@@H](O)C2)[nH+]1 ZINC000352614431 180059806 /nfs/dbraw/zinc/05/98/06/180059806.db2.gz XONDHLZGRCMWSF-VHSXEESVSA-N 1 2 246.314 1.261 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000334147897 538056367 /nfs/dbraw/zinc/05/63/67/538056367.db2.gz FMFRAPYHXAQJTC-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)C3(C)COC3)cc2[nH+]1 ZINC000359917657 180094815 /nfs/dbraw/zinc/09/48/15/180094815.db2.gz ULQJUOHXELVZIE-UHFFFAOYSA-N 1 2 245.282 1.846 20 0 BDADLO Cc1nc(NC[C@@H](O)C2CC2)c2c([nH+]1)CCCC2 ZINC000272897751 180070875 /nfs/dbraw/zinc/07/08/75/180070875.db2.gz OYYLRWKJNZUMBX-CYBMUJFWSA-N 1 2 247.342 1.847 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CCC[C@H]21 ZINC000334243172 538061458 /nfs/dbraw/zinc/06/14/58/538061458.db2.gz YEBCEZPHHLGJIV-CMPLNLGQSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CCC[C@H]21 ZINC000334243172 538061469 /nfs/dbraw/zinc/06/14/69/538061469.db2.gz YEBCEZPHHLGJIV-CMPLNLGQSA-N 1 2 233.315 1.743 20 0 BDADLO CSCC[C@H](C)N(C)c1nc(C)[nH+]c(N)n1 ZINC000304471178 350160416 /nfs/dbraw/zinc/16/04/16/350160416.db2.gz NIOXBVIDAONUQM-ZETCQYMHSA-N 1 2 241.364 1.340 20 0 BDADLO CSCC[C@H](C)N(C)c1nc(N)nc(C)[nH+]1 ZINC000304471178 350160419 /nfs/dbraw/zinc/16/04/19/350160419.db2.gz NIOXBVIDAONUQM-ZETCQYMHSA-N 1 2 241.364 1.340 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1cncc(F)c1)C2 ZINC000275166232 180112019 /nfs/dbraw/zinc/11/20/19/180112019.db2.gz VRLVVDGUPISGFU-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1cncc(F)c1)C2 ZINC000275166232 180112020 /nfs/dbraw/zinc/11/20/20/180112020.db2.gz VRLVVDGUPISGFU-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000304534572 350162160 /nfs/dbraw/zinc/16/21/60/350162160.db2.gz CGGKLGPRKIAOJL-GHMZBOCLSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2(F)CCC2)c[nH+]1 ZINC000359811872 180130688 /nfs/dbraw/zinc/13/06/88/180130688.db2.gz WBTUFXQTIBIBND-UHFFFAOYSA-N 1 2 225.267 1.730 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccoc2)c[nH+]1 ZINC000335330111 180131219 /nfs/dbraw/zinc/13/12/19/180131219.db2.gz HUCKYOOSXPFOKE-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccccn1 ZINC000426995029 191051894 /nfs/dbraw/zinc/05/18/94/191051894.db2.gz LYDCKKOBKMKFCI-SECBINFHSA-N 1 2 245.282 1.624 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)CC(F)(F)F)c[nH+]1 ZINC000362060012 180133901 /nfs/dbraw/zinc/13/39/01/180133901.db2.gz UQANMLCJKQQAFP-RXMQYKEDSA-N 1 2 235.209 1.789 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]2F)c[nH+]1 ZINC000334459177 180134042 /nfs/dbraw/zinc/13/40/42/180134042.db2.gz LIJUJPDYAFGPCB-JGVFFNPUSA-N 1 2 211.240 1.339 20 0 BDADLO Cc1ncc(CN(C)Cc2[nH]cc[nH+]2)s1 ZINC000171947248 180140309 /nfs/dbraw/zinc/14/03/09/180140309.db2.gz SNUSLASJAVVWGZ-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C)s1 ZINC000277727237 180142732 /nfs/dbraw/zinc/14/27/32/180142732.db2.gz JPLDLOMQZFOBEH-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C)s1 ZINC000277727237 180142734 /nfs/dbraw/zinc/14/27/34/180142734.db2.gz JPLDLOMQZFOBEH-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCO[C@H](C)C1 ZINC000408118995 180119322 /nfs/dbraw/zinc/11/93/22/180119322.db2.gz ZEEHNHKUYKOKBX-SCZZXKLOSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1ccccn1 ZINC000339226573 180119558 /nfs/dbraw/zinc/11/95/58/180119558.db2.gz ULEBHNGOACZTNW-VIFPVBQESA-N 1 2 244.298 1.533 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C)s1 ZINC000295094143 180142990 /nfs/dbraw/zinc/14/29/90/180142990.db2.gz JPLDLOMQZFOBEH-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C)s1 ZINC000295094143 180142995 /nfs/dbraw/zinc/14/29/95/180142995.db2.gz JPLDLOMQZFOBEH-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000339030730 180143143 /nfs/dbraw/zinc/14/31/43/180143143.db2.gz YFCIRKDGLLHSDP-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000339030730 180143146 /nfs/dbraw/zinc/14/31/46/180143146.db2.gz YFCIRKDGLLHSDP-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnc(C)s2)n1C ZINC000309611119 180153993 /nfs/dbraw/zinc/15/39/93/180153993.db2.gz ACHZAKCYVJEJBQ-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1c[nH+]c(CNCc2cnc(C)s2)n1C ZINC000309611119 180153995 /nfs/dbraw/zinc/15/39/95/180153995.db2.gz ACHZAKCYVJEJBQ-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ncccn2)s1 ZINC000054459413 180154816 /nfs/dbraw/zinc/15/48/16/180154816.db2.gz BWMGFDHCBOUOII-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CCOc3ccccc3C2)C1=O ZINC000604758609 350183863 /nfs/dbraw/zinc/18/38/63/350183863.db2.gz DKHYHTSFQIIETA-GFCCVEGCSA-N 1 2 246.310 1.112 20 0 BDADLO CN1CC[C@@H]([N@H+]2CCOc3ccccc3C2)C1=O ZINC000604758609 350183865 /nfs/dbraw/zinc/18/38/65/350183865.db2.gz DKHYHTSFQIIETA-GFCCVEGCSA-N 1 2 246.310 1.112 20 0 BDADLO Cc1cc(N[C@H]2CCC[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000604756965 350187863 /nfs/dbraw/zinc/18/78/63/350187863.db2.gz NRXDKEYGQFQBKS-NWDGAFQWSA-N 1 2 247.342 1.800 20 0 BDADLO Cc1nc(N2CC[C@]3(CCOC3)C2)cc[nH+]1 ZINC000129167477 180194181 /nfs/dbraw/zinc/19/41/81/180194181.db2.gz KFLFFLSUEOYURW-LBPRGKRZSA-N 1 2 219.288 1.402 20 0 BDADLO Cc1nc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)cc[nH+]1 ZINC000293974349 180195186 /nfs/dbraw/zinc/19/51/86/180195186.db2.gz HYUJRWMFFTXKNV-KGLIPLIRSA-N 1 2 245.326 1.933 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H](O)CCC(C)C)C(=O)OC ZINC000428293028 191077719 /nfs/dbraw/zinc/07/77/19/191077719.db2.gz FCTXMGBPBIOBHP-WCQYABFASA-N 1 2 245.363 1.715 20 0 BDADLO Cc1nc(NCCCO[C@H]2CCOC2)cc[nH+]1 ZINC000128346475 180197503 /nfs/dbraw/zinc/19/75/03/180197503.db2.gz RWOWWQGCJUZZEL-NSHDSACASA-N 1 2 237.303 1.393 20 0 BDADLO Cc1nc(NCC2=CCCOC2)cc[nH+]1 ZINC000288605900 180198652 /nfs/dbraw/zinc/19/86/52/180198652.db2.gz UITHJDXNEQDUKZ-UHFFFAOYSA-N 1 2 205.261 1.544 20 0 BDADLO Cc1nc(NCC2(O)CCCCC2)cc[nH+]1 ZINC000083466768 180198696 /nfs/dbraw/zinc/19/86/96/180198696.db2.gz JBYQCRJSJBTTBQ-UHFFFAOYSA-N 1 2 221.304 1.892 20 0 BDADLO Cc1nc(NC2(CO)CCCC2)cc[nH+]1 ZINC000054936573 180199357 /nfs/dbraw/zinc/19/93/57/180199357.db2.gz YZQDEHTXVRIRFZ-UHFFFAOYSA-N 1 2 207.277 1.502 20 0 BDADLO Cc1nc(NC[C@@H]2CC(=O)N(C3CC3)C2)cc[nH+]1 ZINC000272412125 180200085 /nfs/dbraw/zinc/20/00/85/180200085.db2.gz CNAXVBXDESFQOW-JTQLQIEISA-N 1 2 246.314 1.208 20 0 BDADLO Cc1nc(NC[C@H](CO)c2ccccc2)cc[nH+]1 ZINC000174930197 180201236 /nfs/dbraw/zinc/20/12/36/180201236.db2.gz DGCKDNPFTRYDFF-CYBMUJFWSA-N 1 2 243.310 1.973 20 0 BDADLO Cc1nc(NC[C@]2(O)CCC[C@@H]2C)cc[nH+]1 ZINC000292699795 180201833 /nfs/dbraw/zinc/20/18/33/180201833.db2.gz ALRIIYIHOLXUIU-JOYOIKCWSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H](CO)Cc2ccccc2)cc[nH+]1 ZINC000063218873 180202803 /nfs/dbraw/zinc/20/28/03/180202803.db2.gz STBKEVTUAIRJCN-CYBMUJFWSA-N 1 2 243.310 1.801 20 0 BDADLO Cc1nc(N[C@@H](C)CN2CCCC2=O)cc[nH+]1 ZINC000266374952 180202958 /nfs/dbraw/zinc/20/29/58/180202958.db2.gz MHCMIHKMENASAW-VIFPVBQESA-N 1 2 234.303 1.208 20 0 BDADLO Cc1nc(N[C@H]2CC(=O)N3CCCC[C@H]23)cc[nH+]1 ZINC000374581383 180204910 /nfs/dbraw/zinc/20/49/10/180204910.db2.gz AUBRSRHOVFBOAU-WDEREUQCSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000220107462 180206901 /nfs/dbraw/zinc/20/69/01/180206901.db2.gz TYPORCOLXPCGGK-WPRPVWTQSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(NCc2ccc3cc[nH]c3n2)cc[nH+]1 ZINC000357555012 180181282 /nfs/dbraw/zinc/18/12/82/180181282.db2.gz ZZYMNJYZLVWAPG-UHFFFAOYSA-N 1 2 239.282 1.695 20 0 BDADLO Cc1nc(NC[C@]2(C)CCO[C@H]2C2CC2)cc[nH+]1 ZINC000368780536 180181485 /nfs/dbraw/zinc/18/14/85/180181485.db2.gz WFLCHPXSOAETJG-KBPBESRZSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@]23CCOC3=O)n1 ZINC000366454027 180183736 /nfs/dbraw/zinc/18/37/36/180183736.db2.gz JEWVUUQLDGHASM-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@]23CCOC3=O)n1 ZINC000366454027 180183739 /nfs/dbraw/zinc/18/37/39/180183739.db2.gz JEWVUUQLDGHASM-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1nccc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)n1 ZINC000352774720 180184024 /nfs/dbraw/zinc/18/40/24/180184024.db2.gz QURNJJYJFSJOCO-SNVBAGLBSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1nccc(C[N@H+](C)[C@H](C)c2cnn(C)c2)n1 ZINC000352774720 180184025 /nfs/dbraw/zinc/18/40/25/180184025.db2.gz QURNJJYJFSJOCO-SNVBAGLBSA-N 1 2 245.330 1.712 20 0 BDADLO Cc1[nH+]cccc1NCc1ccnn1C ZINC000085711378 180226378 /nfs/dbraw/zinc/22/63/78/180226378.db2.gz BGSHRWRLTPYRJF-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637215230 350280396 /nfs/dbraw/zinc/28/03/96/350280396.db2.gz BSCMAFPFKCAXGD-ADEWGFFLSA-N 1 2 248.330 1.152 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cnoc1 ZINC000606360377 350318986 /nfs/dbraw/zinc/31/89/86/350318986.db2.gz MZLOZUISFVGEPT-VIFPVBQESA-N 1 2 209.249 1.097 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cnoc1 ZINC000606360377 350318990 /nfs/dbraw/zinc/31/89/90/350318990.db2.gz MZLOZUISFVGEPT-VIFPVBQESA-N 1 2 209.249 1.097 20 0 BDADLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000178657653 180313760 /nfs/dbraw/zinc/31/37/60/180313760.db2.gz WJDHHEPESCJLAU-VIFPVBQESA-N 1 2 241.360 1.360 20 0 BDADLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000178657653 180313763 /nfs/dbraw/zinc/31/37/63/180313763.db2.gz WJDHHEPESCJLAU-VIFPVBQESA-N 1 2 241.360 1.360 20 0 BDADLO Cc1ncsc1C[N@H+]1CCOC[C@@H]1C ZINC000091815085 180314947 /nfs/dbraw/zinc/31/49/47/180314947.db2.gz SHXQXJBMKLVDAX-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCOC[C@@H]1C ZINC000091815085 180314950 /nfs/dbraw/zinc/31/49/50/180314950.db2.gz SHXQXJBMKLVDAX-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO CCN(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069504067 350367708 /nfs/dbraw/zinc/36/77/08/350367708.db2.gz MFTDNHWUWUSIOL-UHFFFAOYSA-N 1 2 246.314 1.804 20 0 BDADLO Cc1ncoc1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000338885265 180299033 /nfs/dbraw/zinc/29/90/33/180299033.db2.gz WIKACJXGOSQHFL-SECBINFHSA-N 1 2 248.286 1.833 20 0 BDADLO Cc1ncoc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000356691702 180301216 /nfs/dbraw/zinc/30/12/16/180301216.db2.gz HLMLGVQVQWKLTJ-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1ncsc1C[N@H+]1CCOC[C@H]1C ZINC000091815086 180317011 /nfs/dbraw/zinc/31/70/11/180317011.db2.gz SHXQXJBMKLVDAX-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCOC[C@H]1C ZINC000091815086 180317012 /nfs/dbraw/zinc/31/70/12/180317012.db2.gz SHXQXJBMKLVDAX-MRVPVSSYSA-N 1 2 212.318 1.672 20 0 BDADLO CC[C@H]([NH2+][C@H](C)COC)C(=O)OC(C)(C)C ZINC000309408171 350371422 /nfs/dbraw/zinc/37/14/22/350371422.db2.gz BJCYBFUCBXZDIM-ZJUUUORDSA-N 1 2 231.336 1.731 20 0 BDADLO CCc1ncc(C[NH+]2CCOCC2)s1 ZINC000225804245 350374599 /nfs/dbraw/zinc/37/45/99/350374599.db2.gz JBXUMFKFHJPBJD-UHFFFAOYSA-N 1 2 212.318 1.538 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680307 180335088 /nfs/dbraw/zinc/33/50/88/180335088.db2.gz MQJVVKFQHWSVEG-UHFFFAOYSA-N 1 2 245.286 1.266 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@H+](CCO)C1CC1 ZINC000042479096 180349033 /nfs/dbraw/zinc/34/90/33/180349033.db2.gz ZUCXNYGMXDVFOM-UHFFFAOYSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1nn(C)c(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000042479096 180349036 /nfs/dbraw/zinc/34/90/36/180349036.db2.gz ZUCXNYGMXDVFOM-UHFFFAOYSA-N 1 2 243.738 1.339 20 0 BDADLO CC[N@H+](Cc1ncc(C)cn1)[C@H]1CCOC1 ZINC000336677776 350439092 /nfs/dbraw/zinc/43/90/92/350439092.db2.gz WGNRZLZHSNRTED-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC[N@@H+](Cc1ncc(C)cn1)[C@H]1CCOC1 ZINC000336677776 350439097 /nfs/dbraw/zinc/43/90/97/350439097.db2.gz WGNRZLZHSNRTED-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)[C@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428001701 191105403 /nfs/dbraw/zinc/10/54/03/191105403.db2.gz RWQNNQZORVTBSR-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000020349990 180382321 /nfs/dbraw/zinc/38/23/21/180382321.db2.gz ZBRRIHVCULIDNF-VIFPVBQESA-N 1 2 233.319 1.313 20 0 BDADLO C[C@H](CC(=O)NCc1ccccn1)n1cc[nH+]c1 ZINC000577496240 365969678 /nfs/dbraw/zinc/96/96/78/365969678.db2.gz GXARTHSONODFHV-LLVKDONJSA-N 1 2 244.298 1.546 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CSC1(C)C)C(=O)OC ZINC000336648396 350568029 /nfs/dbraw/zinc/56/80/29/350568029.db2.gz GIOMTIFCMRWFRL-SFYZADRCSA-N 1 2 217.334 1.422 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337417147 350581874 /nfs/dbraw/zinc/58/18/74/350581874.db2.gz RXLYPJIZSKXTKV-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337417147 350581878 /nfs/dbraw/zinc/58/18/78/350581878.db2.gz RXLYPJIZSKXTKV-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H](C)C[C@@H](C)O ZINC000577527874 365980395 /nfs/dbraw/zinc/98/03/95/365980395.db2.gz CUBJRBLJLWYKLV-DTWKUNHWSA-N 1 2 209.293 1.087 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccon2)cc1=O ZINC000606901871 350626839 /nfs/dbraw/zinc/62/68/39/350626839.db2.gz BUQASMLDQQNLPQ-UHFFFAOYSA-N 1 2 233.271 1.005 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccon2)cc1=O ZINC000606901871 350626841 /nfs/dbraw/zinc/62/68/41/350626841.db2.gz BUQASMLDQQNLPQ-UHFFFAOYSA-N 1 2 233.271 1.005 20 0 BDADLO FC(F)(F)[C@@H]1C[N@H+](CCn2cccn2)CCO1 ZINC000606905069 350627964 /nfs/dbraw/zinc/62/79/64/350627964.db2.gz RGIIVWVXHLFSCG-VIFPVBQESA-N 1 2 249.236 1.146 20 0 BDADLO FC(F)(F)[C@@H]1C[N@@H+](CCn2cccn2)CCO1 ZINC000606905069 350627968 /nfs/dbraw/zinc/62/79/68/350627968.db2.gz RGIIVWVXHLFSCG-VIFPVBQESA-N 1 2 249.236 1.146 20 0 BDADLO O=C(C[C@@H]1CCOC1)NCCNc1cccc[nH+]1 ZINC000606929341 350628716 /nfs/dbraw/zinc/62/87/16/350628716.db2.gz UAGITUJGLJQONR-NSHDSACASA-N 1 2 249.314 1.036 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H](C)O2)c[nH+]1 ZINC000618579806 350701804 /nfs/dbraw/zinc/70/18/04/350701804.db2.gz ZWJYZIIQRZTWES-WPRPVWTQSA-N 1 2 237.303 1.406 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3CCCCN3C2=O)cc[nH+]1 ZINC000563323136 350818492 /nfs/dbraw/zinc/81/84/92/350818492.db2.gz GNHFBQPDVYJYMD-GHMZBOCLSA-N 1 2 246.314 1.350 20 0 BDADLO CCNC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052008557 350906779 /nfs/dbraw/zinc/90/67/79/350906779.db2.gz GFNHHPDRPZFENP-JTQLQIEISA-N 1 2 237.303 1.256 20 0 BDADLO CCNC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052008557 350906781 /nfs/dbraw/zinc/90/67/81/350906781.db2.gz GFNHHPDRPZFENP-JTQLQIEISA-N 1 2 237.303 1.256 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000052395949 350995547 /nfs/dbraw/zinc/99/55/47/350995547.db2.gz JVNLAVUGHAJNEE-MRVPVSSYSA-N 1 2 231.246 1.235 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000052395949 350995551 /nfs/dbraw/zinc/99/55/51/350995551.db2.gz JVNLAVUGHAJNEE-MRVPVSSYSA-N 1 2 231.246 1.235 20 0 BDADLO CC(=O)c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000183719807 191128175 /nfs/dbraw/zinc/12/81/75/191128175.db2.gz VFGLWZPQKPUFFE-UHFFFAOYSA-N 1 2 230.271 1.593 20 0 BDADLO Cc1ccsc1C[NH2+]Cc1c[nH]nn1 ZINC000398280885 351018581 /nfs/dbraw/zinc/01/85/81/351018581.db2.gz DNSKENGGAJMUOY-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1cc(F)ccc1C[NH2+]Cc1cnn[nH]1 ZINC000398314211 351024991 /nfs/dbraw/zinc/02/49/91/351024991.db2.gz UXRWRFXUODJJOE-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1cc(F)ccc1C[NH2+]Cc1c[nH]nn1 ZINC000398314211 351024994 /nfs/dbraw/zinc/02/49/94/351024994.db2.gz UXRWRFXUODJJOE-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C[C@@H]1C ZINC000398330433 351036950 /nfs/dbraw/zinc/03/69/50/351036950.db2.gz QMWSSHVTILYAOJ-KXUCPTDWSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C[C@@H]1C ZINC000398330433 351036952 /nfs/dbraw/zinc/03/69/52/351036952.db2.gz QMWSSHVTILYAOJ-KXUCPTDWSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000398336807 351037116 /nfs/dbraw/zinc/03/71/16/351037116.db2.gz TUUIYJRDDCXAQS-WPRPVWTQSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000398336807 351037118 /nfs/dbraw/zinc/03/71/18/351037118.db2.gz TUUIYJRDDCXAQS-WPRPVWTQSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1C[C@H](NCC(F)F)c2[nH+]ccn21 ZINC000306808841 351063176 /nfs/dbraw/zinc/06/31/76/351063176.db2.gz QDTDORZZQUXOSR-RQJHMYQMSA-N 1 2 201.220 1.744 20 0 BDADLO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC000623578064 363010263 /nfs/dbraw/zinc/01/02/63/363010263.db2.gz TWWZWSSXVXAHAH-CMPLNLGQSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC000623578064 363010266 /nfs/dbraw/zinc/01/02/66/363010266.db2.gz TWWZWSSXVXAHAH-CMPLNLGQSA-N 1 2 220.320 1.887 20 0 BDADLO OCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000616640824 351146947 /nfs/dbraw/zinc/14/69/47/351146947.db2.gz PCXZPJBPWOGJIU-LBPRGKRZSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000616640824 351146950 /nfs/dbraw/zinc/14/69/50/351146950.db2.gz PCXZPJBPWOGJIU-LBPRGKRZSA-N 1 2 225.263 1.191 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000398437964 351155026 /nfs/dbraw/zinc/15/50/26/351155026.db2.gz HBWWYFLAFHPNFM-NWGYLPEXSA-N 1 2 206.293 1.473 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000398437964 351155028 /nfs/dbraw/zinc/15/50/28/351155028.db2.gz HBWWYFLAFHPNFM-NWGYLPEXSA-N 1 2 206.293 1.473 20 0 BDADLO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398395108 351130494 /nfs/dbraw/zinc/13/04/94/351130494.db2.gz YXQOAWFTVDTOQM-ONGXEEELSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398395108 351130498 /nfs/dbraw/zinc/13/04/98/351130498.db2.gz YXQOAWFTVDTOQM-ONGXEEELSA-N 1 2 220.320 1.887 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC000249155400 323461613 /nfs/dbraw/zinc/46/16/13/323461613.db2.gz YONWENOJEWJYQV-GWOFURMSSA-N 1 2 229.320 1.077 20 0 BDADLO Clc1ccsc1C[NH2+]Cc1cnn[nH]1 ZINC000398417472 351142221 /nfs/dbraw/zinc/14/22/21/351142221.db2.gz UAPHYCGQCDCKGO-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000264528254 351243047 /nfs/dbraw/zinc/24/30/47/351243047.db2.gz NPXARXKAUWHVNJ-SNVBAGLBSA-N 1 2 208.261 1.754 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2[nH]c(C)c(C)[nH+]2)n1 ZINC000628327760 351264556 /nfs/dbraw/zinc/26/45/56/351264556.db2.gz OOMWADRSIGPULU-VIFPVBQESA-N 1 2 249.318 1.911 20 0 BDADLO CCn1nncc1C[NH2+]Cc1ccncc1F ZINC000623584160 363018383 /nfs/dbraw/zinc/01/83/83/363018383.db2.gz MIYCTOGNYKLJRH-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO CCC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000072620919 351324787 /nfs/dbraw/zinc/32/47/87/351324787.db2.gz REWVUPSGLDJAIQ-UHFFFAOYSA-N 1 2 209.293 1.578 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(c2ccccn2)CC1 ZINC000631239506 351275989 /nfs/dbraw/zinc/27/59/89/351275989.db2.gz UIPRBHACPDHIOQ-UHFFFAOYSA-N 1 2 242.282 1.153 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1nnn(C)c1C ZINC000265932686 351276775 /nfs/dbraw/zinc/27/67/75/351276775.db2.gz GJYFAFOXQMBSHA-UHFFFAOYSA-N 1 2 245.286 1.333 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@H](O)C(F)(F)F ZINC000270777681 351387961 /nfs/dbraw/zinc/38/79/61/351387961.db2.gz INKWDQXHBZCFAS-APPZFPTMSA-N 1 2 249.236 1.899 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC[C@H](C)O ZINC000219860933 535160329 /nfs/dbraw/zinc/16/03/29/535160329.db2.gz UKKLWYXRFXFWBN-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC[C@H](C)O ZINC000219860933 535160330 /nfs/dbraw/zinc/16/03/30/535160330.db2.gz UKKLWYXRFXFWBN-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccco1 ZINC000607446875 351460031 /nfs/dbraw/zinc/46/00/31/351460031.db2.gz COHRSPGNYOPOSC-JTQLQIEISA-N 1 2 233.271 1.396 20 0 BDADLO Cc1cccc2c1C[C@H]([NH2+]Cc1ccn[nH]1)CO2 ZINC000623607715 363047082 /nfs/dbraw/zinc/04/70/82/363047082.db2.gz MPXNZCYUPDYQOF-LBPRGKRZSA-N 1 2 243.310 1.811 20 0 BDADLO CCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1=O ZINC000273351023 351521483 /nfs/dbraw/zinc/52/14/83/351521483.db2.gz VBMKQOJJRJJBGP-UHFFFAOYSA-N 1 2 244.298 1.231 20 0 BDADLO CCN1CCCN(c2cccc[nH+]2)CC1=O ZINC000276216607 351612348 /nfs/dbraw/zinc/61/23/48/351612348.db2.gz KQUQFXCZGROPNL-UHFFFAOYSA-N 1 2 219.288 1.140 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@H]2CC[C@H](C)O2)n1 ZINC000571653065 351587127 /nfs/dbraw/zinc/58/71/27/351587127.db2.gz FMYUSJSEOIVCHJ-ATZCPNFKSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H]2CC[C@H](C)O2)n1 ZINC000571653065 351587131 /nfs/dbraw/zinc/58/71/31/351587131.db2.gz FMYUSJSEOIVCHJ-ATZCPNFKSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000571653070 351587383 /nfs/dbraw/zinc/58/73/83/351587383.db2.gz FMYUSJSEOIVCHJ-YWVKMMECSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000571653070 351587386 /nfs/dbraw/zinc/58/73/86/351587386.db2.gz FMYUSJSEOIVCHJ-YWVKMMECSA-N 1 2 239.319 1.938 20 0 BDADLO CC[N@@H+](Cc1ccno1)C[C@H](O)C(F)(F)F ZINC000275076275 351592591 /nfs/dbraw/zinc/59/25/91/351592591.db2.gz ZTBHNQPMIDNNRA-QMMMGPOBSA-N 1 2 238.209 1.420 20 0 BDADLO CC[N@H+](Cc1ccno1)C[C@H](O)C(F)(F)F ZINC000275076275 351592593 /nfs/dbraw/zinc/59/25/93/351592593.db2.gz ZTBHNQPMIDNNRA-QMMMGPOBSA-N 1 2 238.209 1.420 20 0 BDADLO CCCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC000572177874 323559427 /nfs/dbraw/zinc/55/94/27/323559427.db2.gz DSBNELNILZTXCQ-UHFFFAOYSA-N 1 2 223.320 1.610 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000618857373 351642361 /nfs/dbraw/zinc/64/23/61/351642361.db2.gz DZNPPYVHHBQVOT-BXKDBHETSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000618857373 351642363 /nfs/dbraw/zinc/64/23/63/351642363.db2.gz DZNPPYVHHBQVOT-BXKDBHETSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000618857375 351642393 /nfs/dbraw/zinc/64/23/93/351642393.db2.gz DZNPPYVHHBQVOT-JOYOIKCWSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000618857375 351642394 /nfs/dbraw/zinc/64/23/94/351642394.db2.gz DZNPPYVHHBQVOT-JOYOIKCWSA-N 1 2 235.331 1.893 20 0 BDADLO CCc1[nH+]c(C)ccc1OCCOCCOC ZINC000276533364 351629097 /nfs/dbraw/zinc/62/90/97/351629097.db2.gz JKNFSXGUWYPHBY-UHFFFAOYSA-N 1 2 239.315 1.994 20 0 BDADLO CCOC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000276543539 351629712 /nfs/dbraw/zinc/62/97/12/351629712.db2.gz ZGDBYIDCJISQKG-LLVKDONJSA-N 1 2 239.319 1.509 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)[C@H](C)O1 ZINC000637828742 351676825 /nfs/dbraw/zinc/67/68/25/351676825.db2.gz GQUVYKDGACCHSX-KHQFGBGNSA-N 1 2 235.287 1.246 20 0 BDADLO CCC[C@H](OCC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637828035 351670456 /nfs/dbraw/zinc/67/04/56/351670456.db2.gz OJJYPHDFIQBOTD-JTQLQIEISA-N 1 2 237.303 1.638 20 0 BDADLO Cc1ccc(C[N@@H+](CC(N)=O)C(C)C)c(F)c1 ZINC000637858382 351719858 /nfs/dbraw/zinc/71/98/58/351719858.db2.gz AWKVSJREMFYHMB-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO Cc1ccc(C[N@H+](CC(N)=O)C(C)C)c(F)c1 ZINC000637858382 351719864 /nfs/dbraw/zinc/71/98/64/351719864.db2.gz AWKVSJREMFYHMB-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO COc1ccc(Cc2noc(C[NH+](C)C)n2)cn1 ZINC000277760211 351724791 /nfs/dbraw/zinc/72/47/91/351724791.db2.gz CZGUGROFOGSGBS-UHFFFAOYSA-N 1 2 248.286 1.126 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cc(C)ns1 ZINC000637869009 351729075 /nfs/dbraw/zinc/72/90/75/351729075.db2.gz KFCXYQCOJWWENQ-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cc(C)ns1 ZINC000637869009 351729080 /nfs/dbraw/zinc/72/90/80/351729080.db2.gz KFCXYQCOJWWENQ-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO Cc1ccc2[nH+]c(CNc3cn(C)nn3)cn2c1 ZINC000577793267 366060980 /nfs/dbraw/zinc/06/09/80/366060980.db2.gz IZODTUPMOZJGMC-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000618860740 351744259 /nfs/dbraw/zinc/74/42/59/351744259.db2.gz QQJAOKLEEZCGCZ-NWDGAFQWSA-N 1 2 247.342 1.750 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccns1 ZINC000637880078 351746503 /nfs/dbraw/zinc/74/65/03/351746503.db2.gz ZQYXVBKUUWJBQA-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccns1 ZINC000637880078 351746504 /nfs/dbraw/zinc/74/65/04/351746504.db2.gz ZQYXVBKUUWJBQA-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cc(C)ns1 ZINC000637946559 351821614 /nfs/dbraw/zinc/82/16/14/351821614.db2.gz PJOKXEOMENFOPZ-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cc(C)ns1 ZINC000637946559 351821617 /nfs/dbraw/zinc/82/16/17/351821617.db2.gz PJOKXEOMENFOPZ-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO COc1ncc(C[N@H+](C)Cc2cn[nH]c2)s1 ZINC000638084425 351960545 /nfs/dbraw/zinc/96/05/45/351960545.db2.gz OHYUXGMGKGTRHM-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO COc1ncc(C[N@@H+](C)Cc2cn[nH]c2)s1 ZINC000638084425 351960548 /nfs/dbraw/zinc/96/05/48/351960548.db2.gz OHYUXGMGKGTRHM-UHFFFAOYSA-N 1 2 238.316 1.507 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000638088840 351967222 /nfs/dbraw/zinc/96/72/22/351967222.db2.gz QFJSXLGVDHSQOH-FRRDWIJNSA-N 1 2 247.342 1.734 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000638088840 351967224 /nfs/dbraw/zinc/96/72/24/351967224.db2.gz QFJSXLGVDHSQOH-FRRDWIJNSA-N 1 2 247.342 1.734 20 0 BDADLO CCc1nc(N(C)CC(=O)NC2CC2)cc(C)[nH+]1 ZINC000283472959 351972126 /nfs/dbraw/zinc/97/21/26/351972126.db2.gz GJJWBHDYQJYKLK-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCC3)sn1 ZINC000638097298 351978124 /nfs/dbraw/zinc/97/81/24/351978124.db2.gz SYUUMGLZVPBLJF-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCC3)sn1 ZINC000638097298 351978128 /nfs/dbraw/zinc/97/81/28/351978128.db2.gz SYUUMGLZVPBLJF-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccco1 ZINC000083977651 352123006 /nfs/dbraw/zinc/12/30/06/352123006.db2.gz UYCOHOFOPYIHSF-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410877627 191150712 /nfs/dbraw/zinc/15/07/12/191150712.db2.gz SCDOCIJUIVNYFR-JTQLQIEISA-N 1 2 247.298 1.945 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000286907609 352107581 /nfs/dbraw/zinc/10/75/81/352107581.db2.gz CSDFQCXGEZAEDA-VIFPVBQESA-N 1 2 207.277 1.188 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccccc1CO ZINC000638415555 352225886 /nfs/dbraw/zinc/22/58/86/352225886.db2.gz IGSLOPVOSFLLLB-UHFFFAOYSA-N 1 2 246.314 1.080 20 0 BDADLO CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)C(C)C ZINC000411179265 191169948 /nfs/dbraw/zinc/16/99/48/191169948.db2.gz NVSKNFXQAADZDF-UHFFFAOYSA-N 1 2 245.344 1.913 20 0 BDADLO CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)C(C)C ZINC000411179265 191169951 /nfs/dbraw/zinc/16/99/51/191169951.db2.gz NVSKNFXQAADZDF-UHFFFAOYSA-N 1 2 245.344 1.913 20 0 BDADLO CCc1nc(C)c(C(=O)NCCn2cc[nH+]c2)o1 ZINC000292849023 352330923 /nfs/dbraw/zinc/33/09/23/352330923.db2.gz ZCNFYWDJAWNSFK-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO COC(=O)C1([NH2+]CC[C@@H](C)O)CCC(C)CC1 ZINC000411375680 191180858 /nfs/dbraw/zinc/18/08/58/191180858.db2.gz QXOGXZYVHDTJJY-QWKFWESOSA-N 1 2 243.347 1.469 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H]2COC)cs1 ZINC000293443061 352350832 /nfs/dbraw/zinc/35/08/32/352350832.db2.gz CAUKYOMNCLFKIK-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H]2COC)cs1 ZINC000293443061 352350835 /nfs/dbraw/zinc/35/08/35/352350835.db2.gz CAUKYOMNCLFKIK-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H]1CCC(C)(C)O1)C(=O)OC ZINC000411438436 191186131 /nfs/dbraw/zinc/18/61/31/191186131.db2.gz KFILZJQGYBPQBC-GXFFZTMASA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccoc1C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000335771947 133899329 /nfs/dbraw/zinc/89/93/29/133899329.db2.gz NQFHWEQQFWUZLP-QWRGUYRKSA-N 1 2 241.356 1.929 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1CC2(CC2)C1 ZINC000613412195 363189399 /nfs/dbraw/zinc/18/93/99/363189399.db2.gz CAUBNOFDDNCKJO-UHFFFAOYSA-N 1 2 233.315 1.269 20 0 BDADLO C[NH+](C)Cc1nc([C@@H]2CCCS2)no1 ZINC000336181944 538103892 /nfs/dbraw/zinc/10/38/92/538103892.db2.gz FTJMDAHNYCYFOM-ZETCQYMHSA-N 1 2 213.306 1.699 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000577851263 366084064 /nfs/dbraw/zinc/08/40/64/366084064.db2.gz LRALTVRLYMQHNM-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000577851263 366084069 /nfs/dbraw/zinc/08/40/69/366084069.db2.gz LRALTVRLYMQHNM-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1nc(C[NH2+]CC(=O)NC(C)(C)C)cs1 ZINC000040421155 352597138 /nfs/dbraw/zinc/59/71/38/352597138.db2.gz OPYQZXGEBWFNAW-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)ncn1 ZINC000411849040 191219233 /nfs/dbraw/zinc/21/92/33/191219233.db2.gz NYYWVAYAHBBUPU-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)ncn1 ZINC000411849040 191219235 /nfs/dbraw/zinc/21/92/35/191219235.db2.gz NYYWVAYAHBBUPU-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nc(NC[C@H](CO)Cc2ccco2)cc[nH+]1 ZINC000608079189 352706156 /nfs/dbraw/zinc/70/61/56/352706156.db2.gz MJVROGPZGPDSLA-LLVKDONJSA-N 1 2 247.298 1.063 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411941708 191230834 /nfs/dbraw/zinc/23/08/34/191230834.db2.gz LUOJAZUAEBGZAN-CHWSQXEVSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411941708 191230836 /nfs/dbraw/zinc/23/08/36/191230836.db2.gz LUOJAZUAEBGZAN-CHWSQXEVSA-N 1 2 249.310 1.357 20 0 BDADLO Cc1[nH+]cccc1NCc1ncnn1C ZINC000638787229 352744532 /nfs/dbraw/zinc/74/45/32/352744532.db2.gz XDJJVTYXTZADEB-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[C@H](F)C1 ZINC000336346261 180783642 /nfs/dbraw/zinc/78/36/42/180783642.db2.gz VCQFITVYJPNBKG-IUCAKERBSA-N 1 2 240.282 1.110 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000334183575 352772230 /nfs/dbraw/zinc/77/22/30/352772230.db2.gz GJPWWKPOBWDYNF-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCCC1 ZINC000334214387 352813093 /nfs/dbraw/zinc/81/30/93/352813093.db2.gz FHTMRERZJAJYPS-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCCC1 ZINC000334214387 352813095 /nfs/dbraw/zinc/81/30/95/352813095.db2.gz FHTMRERZJAJYPS-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1noc(C[NH+]2CCC(C(F)F)CC2)n1 ZINC000334218186 352819777 /nfs/dbraw/zinc/81/97/77/352819777.db2.gz XTHFNULPAPOTCP-UHFFFAOYSA-N 1 2 231.246 1.855 20 0 BDADLO CCc1ncc(C[N@@H+]2CCN(C)C[C@@H]2C)s1 ZINC000334249337 352842630 /nfs/dbraw/zinc/84/26/30/352842630.db2.gz VESLGZGPCXGZGS-JTQLQIEISA-N 1 2 239.388 1.841 20 0 BDADLO CCc1ncc(C[N@H+]2CCN(C)C[C@@H]2C)s1 ZINC000334249337 352842631 /nfs/dbraw/zinc/84/26/31/352842631.db2.gz VESLGZGPCXGZGS-JTQLQIEISA-N 1 2 239.388 1.841 20 0 BDADLO O=C(c1ccco1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334250081 352843602 /nfs/dbraw/zinc/84/36/02/352843602.db2.gz YOHCRFZJUBYTLM-SECBINFHSA-N 1 2 231.255 1.980 20 0 BDADLO Cc1cc(NC(=O)c2cnccc2C)cc[nH+]1 ZINC000334229152 352846227 /nfs/dbraw/zinc/84/62/27/352846227.db2.gz HVGQRKNLZNKVGG-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)ccn1 ZINC000342865238 352881894 /nfs/dbraw/zinc/88/18/94/352881894.db2.gz SYWBCEMLUOWEEA-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ccn1 ZINC000342865238 352881896 /nfs/dbraw/zinc/88/18/96/352881896.db2.gz SYWBCEMLUOWEEA-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COC(=O)[C@]1(C)CN(c2cccc[nH+]2)C[C@H]1C ZINC000334261936 352894539 /nfs/dbraw/zinc/89/45/39/352894539.db2.gz YOPQXBDEWAIZJX-ZWNOBZJWSA-N 1 2 234.299 1.717 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@H]32)n1C ZINC000334262962 352896277 /nfs/dbraw/zinc/89/62/77/352896277.db2.gz JIUFMTNWHWDMMF-VHSXEESVSA-N 1 2 206.293 1.108 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@H]32)n1C ZINC000334262962 352896280 /nfs/dbraw/zinc/89/62/80/352896280.db2.gz JIUFMTNWHWDMMF-VHSXEESVSA-N 1 2 206.293 1.108 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@H]1CCCCO1 ZINC000334352122 352986889 /nfs/dbraw/zinc/98/68/89/352986889.db2.gz GUXIVSRWBMCUQY-ZJUUUORDSA-N 1 2 244.360 1.508 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@H]1CCCCO1 ZINC000334352122 352986893 /nfs/dbraw/zinc/98/68/93/352986893.db2.gz GUXIVSRWBMCUQY-ZJUUUORDSA-N 1 2 244.360 1.508 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccns2)ncn1 ZINC000638811359 353001252 /nfs/dbraw/zinc/00/12/52/353001252.db2.gz RVLIWHBQQYGMMB-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO S=C1SCCN1C[NH+]1CCSCC1 ZINC000306425744 353012536 /nfs/dbraw/zinc/01/25/36/353012536.db2.gz JQLBDSRMEUEGMR-UHFFFAOYSA-N 1 2 234.415 1.326 20 0 BDADLO Fc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000334361952 353012595 /nfs/dbraw/zinc/01/25/95/353012595.db2.gz JSIKVNYFIWVZLO-BETUJISGSA-N 1 2 237.274 1.425 20 0 BDADLO Fc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000334361952 353012597 /nfs/dbraw/zinc/01/25/97/353012597.db2.gz JSIKVNYFIWVZLO-BETUJISGSA-N 1 2 237.274 1.425 20 0 BDADLO CC(C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000073793164 353060542 /nfs/dbraw/zinc/06/05/42/353060542.db2.gz HPESAXOLPAMOCM-LBPRGKRZSA-N 1 2 235.331 1.920 20 0 BDADLO CSc1cc(C[NH2+]Cc2ncnn2C)ccn1 ZINC000638903500 353064668 /nfs/dbraw/zinc/06/46/68/353064668.db2.gz RNEMOTFPSJWRBI-UHFFFAOYSA-N 1 2 249.343 1.222 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC1CC1)CCC2 ZINC000334384179 353047282 /nfs/dbraw/zinc/04/72/82/353047282.db2.gz LQGKRDIFAWWRTK-SNVBAGLBSA-N 1 2 248.330 1.531 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188559703 353253373 /nfs/dbraw/zinc/25/33/73/353253373.db2.gz PRGCZYUBVMQXDM-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188559703 353253375 /nfs/dbraw/zinc/25/33/75/353253375.db2.gz PRGCZYUBVMQXDM-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@@H]2CCNC2=O)o1 ZINC000343261948 353269911 /nfs/dbraw/zinc/26/99/11/353269911.db2.gz CWUIGHAKIZOLBS-YUSALJHKSA-N 1 2 248.326 1.723 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)o1 ZINC000343261948 353269914 /nfs/dbraw/zinc/26/99/14/353269914.db2.gz CWUIGHAKIZOLBS-YUSALJHKSA-N 1 2 248.326 1.723 20 0 BDADLO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134562721 538113489 /nfs/dbraw/zinc/11/34/89/538113489.db2.gz ANXOOWREKVYEIX-HOTUBEGUSA-N 1 2 225.336 1.776 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000134577428 538113315 /nfs/dbraw/zinc/11/33/15/538113315.db2.gz LIJBVLPQDZVPMS-KWQFWETISA-N 1 2 241.360 1.237 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCCCO2)nc[nH+]1 ZINC000301241819 188232711 /nfs/dbraw/zinc/23/27/11/188232711.db2.gz MUXGIQDTOPXLCO-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cnc[nH]1 ZINC000357281734 188239475 /nfs/dbraw/zinc/23/94/75/188239475.db2.gz IIXBBSQQSVPRBA-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO CC(C)[C@@](C)(O)C[N@@H+]1CCOCC(F)(F)C1 ZINC000367355647 188241804 /nfs/dbraw/zinc/24/18/04/188241804.db2.gz DYOUGRLTVDOULM-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)[C@@](C)(O)C[N@H+]1CCOCC(F)(F)C1 ZINC000367355647 188241805 /nfs/dbraw/zinc/24/18/05/188241805.db2.gz DYOUGRLTVDOULM-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000120634745 188249939 /nfs/dbraw/zinc/24/99/39/188249939.db2.gz WZTKMMOQBKULHY-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000120634745 188249940 /nfs/dbraw/zinc/24/99/40/188249940.db2.gz WZTKMMOQBKULHY-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO C/C=C/C=C/C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374384595 188250570 /nfs/dbraw/zinc/25/05/70/188250570.db2.gz JCXJSFKLIPCWHP-KANVGOIPSA-N 1 2 245.326 1.868 20 0 BDADLO C/C=C/C[C@@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000185815505 188254100 /nfs/dbraw/zinc/25/41/00/188254100.db2.gz XXOJQZNXJVSLAB-UFFNRZRYSA-N 1 2 209.293 1.135 20 0 BDADLO CC(C)[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000232737138 188254177 /nfs/dbraw/zinc/25/41/77/188254177.db2.gz UQLMZEGWVKTRGW-ZCFIWIBFSA-N 1 2 230.699 1.141 20 0 BDADLO CC(C)[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000232737138 188254178 /nfs/dbraw/zinc/25/41/78/188254178.db2.gz UQLMZEGWVKTRGW-ZCFIWIBFSA-N 1 2 230.699 1.141 20 0 BDADLO CC(=O)[C@H](NC(=O)C[NH+]1CCCCC1)C(C)C ZINC000035222773 188255237 /nfs/dbraw/zinc/25/52/37/188255237.db2.gz KLFAMORVPDGRMZ-CYBMUJFWSA-N 1 2 240.347 1.202 20 0 BDADLO Cc1nc(N2CCC[C@H](CO)CC2)cc[nH+]1 ZINC000338840509 188257115 /nfs/dbraw/zinc/25/71/15/188257115.db2.gz GIJGDCPJIKZLSB-NSHDSACASA-N 1 2 221.304 1.384 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@@H](CC)CO)n1 ZINC000345835009 188257791 /nfs/dbraw/zinc/25/77/91/188257791.db2.gz NHIUBAXZZRFTAH-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@@H](CC)CO)n1 ZINC000345835009 188257792 /nfs/dbraw/zinc/25/77/92/188257792.db2.gz NHIUBAXZZRFTAH-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO COc1ccc(NCc2cc[nH]n2)[nH+]c1 ZINC000225894475 538114489 /nfs/dbraw/zinc/11/44/89/538114489.db2.gz YKGRITPPXDQSHN-UHFFFAOYSA-N 1 2 204.233 1.425 20 0 BDADLO CC(C)[C@H](O)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000272122094 188263559 /nfs/dbraw/zinc/26/35/59/188263559.db2.gz ZXLKXIGCZAXRKS-NSHDSACASA-N 1 2 223.320 1.296 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ccco2)C1 ZINC000275292017 188265937 /nfs/dbraw/zinc/26/59/37/188265937.db2.gz XERFETPABAGCNW-UHFFFAOYSA-N 1 2 208.261 1.102 20 0 BDADLO Cc1nccc(CNc2cc[nH+]c(C)n2)n1 ZINC000054936004 188259276 /nfs/dbraw/zinc/25/92/76/188259276.db2.gz ORXLMQYITZINIQ-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)oc1C ZINC000334505773 353364593 /nfs/dbraw/zinc/36/45/93/353364593.db2.gz SKRKROIESQPQBY-UHFFFAOYSA-N 1 2 236.315 1.719 20 0 BDADLO CC(C)[C@@H](C)[S@](=O)Cc1[nH+]ccn1C ZINC000129316367 188331268 /nfs/dbraw/zinc/33/12/68/188331268.db2.gz ZNEVDQQQNJEFFA-OTYXRUKQSA-N 1 2 214.334 1.713 20 0 BDADLO CC(C)C1(C[N@@H+]2CCn3c(n[nH]c3=O)C2)CC1 ZINC000639048686 353342668 /nfs/dbraw/zinc/34/26/68/353342668.db2.gz XNUSKCCKXGBFQK-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO CC(C)C1(C[N@H+]2CCn3c(n[nH]c3=O)C2)CC1 ZINC000639048686 353342670 /nfs/dbraw/zinc/34/26/70/353342670.db2.gz XNUSKCCKXGBFQK-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO CC(C)C1(C[N@@H+]2CCN3C(=O)N=NC3C2)CC1 ZINC000639048686 353342673 /nfs/dbraw/zinc/34/26/73/353342673.db2.gz XNUSKCCKXGBFQK-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO CC(C)C1(C[N@H+]2CCN3C(=O)N=NC3C2)CC1 ZINC000639048686 353342676 /nfs/dbraw/zinc/34/26/76/353342676.db2.gz XNUSKCCKXGBFQK-UHFFFAOYSA-N 1 2 236.319 1.236 20 0 BDADLO CC(C)[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000172155757 188339354 /nfs/dbraw/zinc/33/93/54/188339354.db2.gz NXZBEZNPLJXLJH-NSHDSACASA-N 1 2 223.320 1.682 20 0 BDADLO CC(C)N(C)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000106306053 188343363 /nfs/dbraw/zinc/34/33/63/188343363.db2.gz IQMKHYYIVVOFBN-UHFFFAOYSA-N 1 2 232.327 1.869 20 0 BDADLO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398323122 363220258 /nfs/dbraw/zinc/22/02/58/363220258.db2.gz NKRHEDWJPMGTTE-YWVKMMECSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398323122 363220262 /nfs/dbraw/zinc/22/02/62/363220262.db2.gz NKRHEDWJPMGTTE-YWVKMMECSA-N 1 2 208.309 1.719 20 0 BDADLO C/C=C/C[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000184806380 188346922 /nfs/dbraw/zinc/34/69/22/188346922.db2.gz HQSVTCKZZFAOFD-CDAZIORVSA-N 1 2 247.302 1.102 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000187350774 188347854 /nfs/dbraw/zinc/34/78/54/188347854.db2.gz YOKBIKNRCZNYKK-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CCC[C@](C)(O)C1 ZINC000187350774 188347856 /nfs/dbraw/zinc/34/78/56/188347856.db2.gz YOKBIKNRCZNYKK-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CCc1ccc(C(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000188383075 188348943 /nfs/dbraw/zinc/34/89/43/188348943.db2.gz CHYWOHIFTYNLQG-UHFFFAOYSA-N 1 2 248.326 1.342 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000193722475 188351789 /nfs/dbraw/zinc/35/17/89/188351789.db2.gz BIRSPEJGVIRJOR-MNOVXSKESA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000193722475 188351790 /nfs/dbraw/zinc/35/17/90/188351790.db2.gz BIRSPEJGVIRJOR-MNOVXSKESA-N 1 2 221.304 1.593 20 0 BDADLO Cc1ccc(NC(=O)NCCCCO)c(C)[nH+]1 ZINC000193588290 188352234 /nfs/dbraw/zinc/35/22/34/188352234.db2.gz YNNAURPDMYTEIN-UHFFFAOYSA-N 1 2 237.303 1.592 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000267617261 188372880 /nfs/dbraw/zinc/37/28/80/188372880.db2.gz YKFLCMCNSOBVOH-LLGDCAAFSA-N 1 2 207.277 1.354 20 0 BDADLO C/C=C/C=C/C(=O)N(C)CCCn1cc[nH+]c1 ZINC000269112531 188374121 /nfs/dbraw/zinc/37/41/21/188374121.db2.gz RQVGMACOXQFJPM-BDWKERMESA-N 1 2 233.315 1.864 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000230009244 353420769 /nfs/dbraw/zinc/42/07/69/353420769.db2.gz LYTXFNWKGOOBDV-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000230009244 353420771 /nfs/dbraw/zinc/42/07/71/353420771.db2.gz LYTXFNWKGOOBDV-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000269669923 188375227 /nfs/dbraw/zinc/37/52/27/188375227.db2.gz BAEPPQARNZUGGF-NSHDSACASA-N 1 2 243.310 1.997 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1(C2CC2)CC1 ZINC000339172964 188367638 /nfs/dbraw/zinc/36/76/38/188367638.db2.gz JMNWUQKBFZIUTR-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO CC[C@@H](O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178091806 366088280 /nfs/dbraw/zinc/08/82/80/366088280.db2.gz XLOGTXZRGAAJQQ-LLVKDONJSA-N 1 2 247.298 1.225 20 0 BDADLO CCN(C)C(=O)NCc1c[nH+]ccc1OC ZINC000292872286 188391370 /nfs/dbraw/zinc/39/13/70/188391370.db2.gz BYLYTQUIZMBAFO-UHFFFAOYSA-N 1 2 223.276 1.252 20 0 BDADLO CC(C)(C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000563748559 353450964 /nfs/dbraw/zinc/45/09/64/353450964.db2.gz CZJSXMPFKWHHHN-UHFFFAOYSA-N 1 2 233.315 1.703 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276618774 188379916 /nfs/dbraw/zinc/37/99/16/188379916.db2.gz SVQLKZLGBGLANL-BJIOATRMSA-N 1 2 221.304 1.744 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccn1 ZINC000276549879 188380407 /nfs/dbraw/zinc/38/04/07/188380407.db2.gz KGVOTELVGXDTET-UHFFFAOYSA-N 1 2 230.271 1.386 20 0 BDADLO CC(C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000278881554 188382577 /nfs/dbraw/zinc/38/25/77/188382577.db2.gz WMNGSZZYHFYBGK-NSHDSACASA-N 1 2 237.347 1.904 20 0 BDADLO Cc1nc(N2CCC[C@H]2[C@H]2CCCO2)cc[nH+]1 ZINC000286494220 188386828 /nfs/dbraw/zinc/38/68/28/188386828.db2.gz PUJQQPWOBXBDBY-NWDGAFQWSA-N 1 2 233.315 1.933 20 0 BDADLO Cc1ccnc([C@@H](C)[NH2+]Cc2nccn2C)c1 ZINC000286303670 188386871 /nfs/dbraw/zinc/38/68/71/188386871.db2.gz WUQIOZPPFLSIIP-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ncoc2C2CC2)C1 ZINC000297212765 188395274 /nfs/dbraw/zinc/39/52/74/188395274.db2.gz XAAYTFHNUMQYOS-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO O[C@H]1C[N@H+](CCC[C@@H]2CCO2)CC(F)(F)C1 ZINC000639096051 353482473 /nfs/dbraw/zinc/48/24/73/353482473.db2.gz ZQTTUQFSIWPTDP-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1C[N@@H+](CCC[C@@H]2CCO2)CC(F)(F)C1 ZINC000639096051 353482477 /nfs/dbraw/zinc/48/24/77/353482477.db2.gz ZQTTUQFSIWPTDP-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO C/C(=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000299090917 188396054 /nfs/dbraw/zinc/39/60/54/188396054.db2.gz TYCWRZLYVNVSSS-HUYFXPKMSA-N 1 2 233.315 1.744 20 0 BDADLO Cc1cc(N2CC[C@@](C)(O)C2)nc(C(C)C)[nH+]1 ZINC000230186118 353475082 /nfs/dbraw/zinc/47/50/82/353475082.db2.gz NFDZLQIZGRWJCS-CYBMUJFWSA-N 1 2 235.331 1.870 20 0 BDADLO Fc1ccc(C[NH2+]Cc2cc[nH]n2)c(F)c1 ZINC000041013794 180968530 /nfs/dbraw/zinc/96/85/30/180968530.db2.gz WNTOMXCXCBMHED-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO c1cc(C2CC[NH+](Cc3ncccn3)CC2)n[nH]1 ZINC000191978793 353528695 /nfs/dbraw/zinc/52/86/95/353528695.db2.gz UHQGMPDEQMQFGD-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO CCN1CN(C(=O)Nc2cc[nH+]c(C)c2)CC1=O ZINC000192384999 353549236 /nfs/dbraw/zinc/54/92/36/353549236.db2.gz CLVBFYBRKQDAON-UHFFFAOYSA-N 1 2 248.286 1.044 20 0 BDADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000334512975 353554851 /nfs/dbraw/zinc/55/48/51/353554851.db2.gz ZOJKKEHEIGPGGX-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000334512975 353554853 /nfs/dbraw/zinc/55/48/53/353554853.db2.gz ZOJKKEHEIGPGGX-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000194455803 353662609 /nfs/dbraw/zinc/66/26/09/353662609.db2.gz SGOZSZWYXIDGKS-MNOVXSKESA-N 1 2 238.335 1.617 20 0 BDADLO CC(C)(C)c1noc(OCc2cc[nH+]c(N)c2)n1 ZINC000195501155 353765623 /nfs/dbraw/zinc/76/56/23/353765623.db2.gz VBJLGVYFOZYBAU-UHFFFAOYSA-N 1 2 248.286 1.923 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](CCO)CC(F)F)OC ZINC000639122752 353778287 /nfs/dbraw/zinc/77/82/87/353778287.db2.gz FFLJOQNLWBIXDZ-ZJUUUORDSA-N 1 2 239.306 1.607 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](CCO)CC(F)F)OC ZINC000639122752 353778289 /nfs/dbraw/zinc/77/82/89/353778289.db2.gz FFLJOQNLWBIXDZ-ZJUUUORDSA-N 1 2 239.306 1.607 20 0 BDADLO Fc1cncc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000275096848 181019075 /nfs/dbraw/zinc/01/90/75/181019075.db2.gz AXNBGKMYIWUFCW-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cncc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000275096848 181019078 /nfs/dbraw/zinc/01/90/78/181019078.db2.gz AXNBGKMYIWUFCW-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCO[C@@H]2c2cccnc2)[nH]n1 ZINC000343383808 353875843 /nfs/dbraw/zinc/87/58/43/353875843.db2.gz IPXWMCGWDMPCEE-CHWSQXEVSA-N 1 2 244.298 1.425 20 0 BDADLO CO[C@@H](C[NH2+]C1(C(F)F)CC1)[C@@H]1CCOC1 ZINC000639139306 353855386 /nfs/dbraw/zinc/85/53/86/353855386.db2.gz INYXEZXNTSBHAW-BDAKNGLRSA-N 1 2 235.274 1.425 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](OC)C1 ZINC000343746859 353970806 /nfs/dbraw/zinc/97/08/06/353970806.db2.gz UTSGPUCUXGUYQC-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1CC[C@H](OC)C1 ZINC000343746859 353970809 /nfs/dbraw/zinc/97/08/09/353970809.db2.gz UTSGPUCUXGUYQC-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000334541446 353975578 /nfs/dbraw/zinc/97/55/78/353975578.db2.gz PZMJVLXSEKAAPZ-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000334541446 353975581 /nfs/dbraw/zinc/97/55/81/353975581.db2.gz PZMJVLXSEKAAPZ-JGVFFNPUSA-N 1 2 241.253 1.409 20 0 BDADLO CC1(C)C[N@H+](CCO)C[C@](C)(C(F)(F)F)O1 ZINC000334542089 353977087 /nfs/dbraw/zinc/97/70/87/353977087.db2.gz BINLRNFQHFHBQK-SECBINFHSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[N@@H+](CCO)C[C@](C)(C(F)(F)F)O1 ZINC000334542089 353977089 /nfs/dbraw/zinc/97/70/89/353977089.db2.gz BINLRNFQHFHBQK-SECBINFHSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)CCO1 ZINC000334548461 353986908 /nfs/dbraw/zinc/98/69/08/353986908.db2.gz WCVGKPZUWOHOHW-SECBINFHSA-N 1 2 229.711 1.257 20 0 BDADLO C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)CCO1 ZINC000334548461 353986910 /nfs/dbraw/zinc/98/69/10/353986910.db2.gz WCVGKPZUWOHOHW-SECBINFHSA-N 1 2 229.711 1.257 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000343678769 353961664 /nfs/dbraw/zinc/96/16/64/353961664.db2.gz WRSYJIHXFGSKRA-KOLCDFICSA-N 1 2 207.277 1.462 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000343678769 353961665 /nfs/dbraw/zinc/96/16/65/353961665.db2.gz WRSYJIHXFGSKRA-KOLCDFICSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000343914911 354040412 /nfs/dbraw/zinc/04/04/12/354040412.db2.gz VZFSZTCYABDAIK-NXEZZACHSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000343914911 354040414 /nfs/dbraw/zinc/04/04/14/354040414.db2.gz VZFSZTCYABDAIK-NXEZZACHSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)c1nc(NC[C@H](CO)C(C)C)cc[nH+]1 ZINC000343795013 353999242 /nfs/dbraw/zinc/99/92/42/353999242.db2.gz WBRQHSCNYNKZEJ-LLVKDONJSA-N 1 2 237.347 1.698 20 0 BDADLO CC(C)c1nc(NCC[C@H]2CCOC2)cc[nH+]1 ZINC000343801598 354005909 /nfs/dbraw/zinc/00/59/09/354005909.db2.gz RQNNRIWVZHSDJY-NSHDSACASA-N 1 2 235.331 1.860 20 0 BDADLO c1cc2[nH+]ccc(NCC[C@@H]3CCOC3)c2cn1 ZINC000343803951 354007710 /nfs/dbraw/zinc/00/77/10/354007710.db2.gz WAHOQRAMZCBTSE-LLVKDONJSA-N 1 2 243.310 1.890 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000343988247 354061737 /nfs/dbraw/zinc/06/17/37/354061737.db2.gz QJRUZBZBIVMHDJ-MXWKQRLJSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H](C)S1 ZINC000334569377 354094950 /nfs/dbraw/zinc/09/49/50/354094950.db2.gz LWEUTLMOVLRBRA-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H](C)S1 ZINC000334569377 354094951 /nfs/dbraw/zinc/09/49/51/354094951.db2.gz LWEUTLMOVLRBRA-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO Cc1ccnc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000344165159 354168949 /nfs/dbraw/zinc/16/89/49/354168949.db2.gz AJEYVDOLIQYLHH-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)no1 ZINC000344138356 354151258 /nfs/dbraw/zinc/15/12/58/354151258.db2.gz XSSMWXYITHNXFS-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)no1 ZINC000344138356 354151259 /nfs/dbraw/zinc/15/12/59/354151259.db2.gz XSSMWXYITHNXFS-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000449667597 202000852 /nfs/dbraw/zinc/00/08/52/202000852.db2.gz RGFDTASXWNKVQI-XWLWVQCSSA-N 1 2 213.321 1.961 20 0 BDADLO CCC[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344146630 354154405 /nfs/dbraw/zinc/15/44/05/354154405.db2.gz RFGCJOYQZSKFEU-NXEZZACHSA-N 1 2 238.335 1.878 20 0 BDADLO CCC[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344146630 354154409 /nfs/dbraw/zinc/15/44/09/354154409.db2.gz RFGCJOYQZSKFEU-NXEZZACHSA-N 1 2 238.335 1.878 20 0 BDADLO Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000344203569 354162950 /nfs/dbraw/zinc/16/29/50/354162950.db2.gz PMKDSVQIOCWHTD-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1F ZINC000344191021 354179044 /nfs/dbraw/zinc/17/90/44/354179044.db2.gz GWDMFGNKWVGWTR-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nccs1 ZINC000449724359 202009462 /nfs/dbraw/zinc/00/94/62/202009462.db2.gz YFWOZAYETLVZES-RKDXNWHRSA-N 1 2 228.317 1.037 20 0 BDADLO FC(F)COCCNc1cccc[nH+]1 ZINC000231678485 363347904 /nfs/dbraw/zinc/34/79/04/363347904.db2.gz QKLMIWLKOWPIEE-UHFFFAOYSA-N 1 2 202.204 1.775 20 0 BDADLO FC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000334584699 354207139 /nfs/dbraw/zinc/20/71/39/354207139.db2.gz OGUBXZIWGCUURF-VIFPVBQESA-N 1 2 235.262 1.738 20 0 BDADLO Cn1cc(C[NH2+][C@@H](CCO)c2ccccc2)nn1 ZINC000344456217 354263080 /nfs/dbraw/zinc/26/30/80/354263080.db2.gz HOYSZDHDJMPKDP-ZDUSSCGKSA-N 1 2 246.314 1.028 20 0 BDADLO CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000053491335 363355057 /nfs/dbraw/zinc/35/50/57/363355057.db2.gz UJWPVZVDDZRCHP-UHFFFAOYSA-N 1 2 239.344 1.205 20 0 BDADLO CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000053493994 363355245 /nfs/dbraw/zinc/35/52/45/363355245.db2.gz SQXTZHPINPNMES-UHFFFAOYSA-N 1 2 239.344 1.205 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334596524 354230205 /nfs/dbraw/zinc/23/02/05/354230205.db2.gz FCMJKKOQMRGRDD-OLZOCXBDSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334596524 354230207 /nfs/dbraw/zinc/23/02/07/354230207.db2.gz FCMJKKOQMRGRDD-OLZOCXBDSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000334596524 354230210 /nfs/dbraw/zinc/23/02/10/354230210.db2.gz FCMJKKOQMRGRDD-OLZOCXBDSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC[C@@H]1C ZINC000334597546 354231877 /nfs/dbraw/zinc/23/18/77/354231877.db2.gz JHWLXXHJBBVDBH-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000334598251 354232745 /nfs/dbraw/zinc/23/27/45/354232745.db2.gz WXIBFGZEKKAPFH-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO CCn1cc[nH+]c1CN1CCOCC(F)(F)C1 ZINC000334611096 354294268 /nfs/dbraw/zinc/29/42/68/354294268.db2.gz JLYWMDGCHCCMGQ-UHFFFAOYSA-N 1 2 245.273 1.371 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334617297 354304661 /nfs/dbraw/zinc/30/46/61/354304661.db2.gz TXVNZLZKYUCCMD-VIFPVBQESA-N 1 2 244.298 1.334 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334617297 354304664 /nfs/dbraw/zinc/30/46/64/354304664.db2.gz TXVNZLZKYUCCMD-VIFPVBQESA-N 1 2 244.298 1.334 20 0 BDADLO CC(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334616925 354304737 /nfs/dbraw/zinc/30/47/37/354304737.db2.gz OQNKTQKOBZPBJO-MRVPVSSYSA-N 1 2 207.277 1.039 20 0 BDADLO CC(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334616925 354304742 /nfs/dbraw/zinc/30/47/42/354304742.db2.gz OQNKTQKOBZPBJO-MRVPVSSYSA-N 1 2 207.277 1.039 20 0 BDADLO COC1(C)CN([C@@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000639179667 354273667 /nfs/dbraw/zinc/27/36/67/354273667.db2.gz GTFYEMWDYQIUIN-LLVKDONJSA-N 1 2 235.331 1.592 20 0 BDADLO CCC[C@H](OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000577972675 366153531 /nfs/dbraw/zinc/15/35/31/366153531.db2.gz VWJFERABBKPKSU-NSHDSACASA-N 1 2 237.303 1.082 20 0 BDADLO O=S1CC[NH+](Cc2ccccc2)CC1 ZINC000039278860 358486174 /nfs/dbraw/zinc/48/61/74/358486174.db2.gz VAWNHWAIOQQPCH-UHFFFAOYSA-N 1 2 209.314 1.251 20 0 BDADLO O[C@H]([C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000334621952 354359103 /nfs/dbraw/zinc/35/91/03/354359103.db2.gz VATUVPRAKPOGJD-PSASIEDQSA-N 1 2 246.232 1.831 20 0 BDADLO CCOCCOCCN(C)c1cc(C)[nH+]cn1 ZINC000344795315 354373948 /nfs/dbraw/zinc/37/39/48/354373948.db2.gz NJQPSIURHLVWFX-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000344790069 354369606 /nfs/dbraw/zinc/36/96/06/354369606.db2.gz FYJXVHFNPWJPRN-SNVBAGLBSA-N 1 2 236.319 1.533 20 0 BDADLO FC[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000334647177 354437745 /nfs/dbraw/zinc/43/77/45/354437745.db2.gz ZTLLEFWGYSNOFJ-LBPRGKRZSA-N 1 2 227.254 1.996 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000334647177 354437747 /nfs/dbraw/zinc/43/77/47/354437747.db2.gz ZTLLEFWGYSNOFJ-LBPRGKRZSA-N 1 2 227.254 1.996 20 0 BDADLO COC1(C(=O)Nc2c[nH+]c3n2CCCC3)CCC1 ZINC000334665324 354467082 /nfs/dbraw/zinc/46/70/82/354467082.db2.gz IMMCJOARHSBXSU-UHFFFAOYSA-N 1 2 249.314 1.727 20 0 BDADLO CN(C(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC000578072786 366220896 /nfs/dbraw/zinc/22/08/96/366220896.db2.gz ONFHJZFTNXGZGP-UHFFFAOYSA-N 1 2 223.320 1.610 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334749930 354475560 /nfs/dbraw/zinc/47/55/60/354475560.db2.gz RTZRRRPPVAXUMB-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000334736374 354537660 /nfs/dbraw/zinc/53/76/60/354537660.db2.gz VYTDLVOTWQQTGB-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000334736374 354537663 /nfs/dbraw/zinc/53/76/63/354537663.db2.gz VYTDLVOTWQQTGB-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO COC1CN(Cc2c[nH+]c3ccc(C)cn23)C1 ZINC000334738899 354541956 /nfs/dbraw/zinc/54/19/56/354541956.db2.gz BINUSNQUOSNWAS-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO CNC(=O)c1cccc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000334697473 354489262 /nfs/dbraw/zinc/48/92/62/354489262.db2.gz CTEZMYJKQHJHKE-LBPRGKRZSA-N 1 2 236.290 1.590 20 0 BDADLO CNC(=O)c1cccc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000334697473 354489263 /nfs/dbraw/zinc/48/92/63/354489263.db2.gz CTEZMYJKQHJHKE-LBPRGKRZSA-N 1 2 236.290 1.590 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCCS2)C1 ZINC000334763086 354583667 /nfs/dbraw/zinc/58/36/67/354583667.db2.gz XYUNUHJCWSGWEM-NSHDSACASA-N 1 2 242.388 1.481 20 0 BDADLO CCC(=O)N1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000335093581 354630837 /nfs/dbraw/zinc/63/08/37/354630837.db2.gz DYHSKQBBIUASHP-LLVKDONJSA-N 1 2 208.305 1.607 20 0 BDADLO CCC(=O)N1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000335093581 354630838 /nfs/dbraw/zinc/63/08/38/354630838.db2.gz DYHSKQBBIUASHP-LLVKDONJSA-N 1 2 208.305 1.607 20 0 BDADLO CCC[C@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000345378716 354645844 /nfs/dbraw/zinc/64/58/44/354645844.db2.gz KIJHQTMKNYGOKY-VIFPVBQESA-N 1 2 222.288 1.974 20 0 BDADLO CC(C)[C@@H]1[N@H+](Cc2ncnn2C)CC1(C)C ZINC000639204790 354656340 /nfs/dbraw/zinc/65/63/40/354656340.db2.gz RVRBSCOHMYGRRP-NSHDSACASA-N 1 2 222.336 1.682 20 0 BDADLO CC(C)[C@@H]1[N@@H+](Cc2ncnn2C)CC1(C)C ZINC000639204790 354656343 /nfs/dbraw/zinc/65/63/43/354656343.db2.gz RVRBSCOHMYGRRP-NSHDSACASA-N 1 2 222.336 1.682 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[C@H](F)C1 ZINC000335089467 354624451 /nfs/dbraw/zinc/62/44/51/354624451.db2.gz GDBPKDVMUDBSGP-IUCAKERBSA-N 1 2 225.267 1.554 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[C@H]1O ZINC000335109238 354695293 /nfs/dbraw/zinc/69/52/93/354695293.db2.gz MRXDMOUNJZNTPL-NXEZZACHSA-N 1 2 235.287 1.343 20 0 BDADLO COc1cccc(NC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000345637577 354721059 /nfs/dbraw/zinc/72/10/59/354721059.db2.gz IANWGFRFPFKHLZ-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO COc1ccccc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000345639305 354721577 /nfs/dbraw/zinc/72/15/77/354721577.db2.gz IWXAIZQWAUGLSF-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO CC(C)(C)OCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000578080953 366229459 /nfs/dbraw/zinc/22/94/59/366229459.db2.gz HBOVETKXINRXRF-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345729800 354745883 /nfs/dbraw/zinc/74/58/83/354745883.db2.gz FHSZTMTWMKRZMY-IUCAKERBSA-N 1 2 234.290 1.392 20 0 BDADLO COC(=O)C[N@H+](CCOC(C)(C)C)C1CC1 ZINC000345730006 354745961 /nfs/dbraw/zinc/74/59/61/354745961.db2.gz AVGNIFLUWISSTJ-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)C[N@@H+](CCOC(C)(C)C)C1CC1 ZINC000345730006 354745963 /nfs/dbraw/zinc/74/59/63/354745963.db2.gz AVGNIFLUWISSTJ-UHFFFAOYSA-N 1 2 229.320 1.439 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+](C)CC[C@@H](C)O ZINC000166012943 354760996 /nfs/dbraw/zinc/76/09/96/354760996.db2.gz DISZQZSGRTVCML-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+](C)CC[C@@H](C)O ZINC000166012943 354760998 /nfs/dbraw/zinc/76/09/98/354760998.db2.gz DISZQZSGRTVCML-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO Cn1cc[nH+]c1[C@H](C1CC1)N(C1CC1)C1COC1 ZINC000639216208 354829205 /nfs/dbraw/zinc/82/92/05/354829205.db2.gz SFFKAXVDJCDNTB-ZDUSSCGKSA-N 1 2 247.342 1.734 20 0 BDADLO CCOc1nnc(C[N@H+](C)[C@H](CC)CO)s1 ZINC000345879735 354794977 /nfs/dbraw/zinc/79/49/77/354794977.db2.gz FEFBOFRYAKVDBF-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)[C@H](CC)CO)s1 ZINC000345879735 354794980 /nfs/dbraw/zinc/79/49/80/354794980.db2.gz FEFBOFRYAKVDBF-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)c1ccnn1C ZINC000235511589 363446556 /nfs/dbraw/zinc/44/65/56/363446556.db2.gz PMYDSPQTBXNVQH-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000639221630 354908504 /nfs/dbraw/zinc/90/85/04/354908504.db2.gz DKLDOYZRIASXBX-JTQLQIEISA-N 1 2 206.293 1.282 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H]1C1CC1 ZINC000639221630 354908506 /nfs/dbraw/zinc/90/85/06/354908506.db2.gz DKLDOYZRIASXBX-JTQLQIEISA-N 1 2 206.293 1.282 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000335956637 134023254 /nfs/dbraw/zinc/02/32/54/134023254.db2.gz FQGMHUACUYPAPD-NXEZZACHSA-N 1 2 221.304 1.473 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C)CC2)[nH]1 ZINC000335189535 355021538 /nfs/dbraw/zinc/02/15/38/355021538.db2.gz LBIKMBKBQLOJCS-UHFFFAOYSA-N 1 2 208.309 1.599 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)n(C)n1 ZINC000335217248 355055647 /nfs/dbraw/zinc/05/56/47/355055647.db2.gz YQUXTHIERSLTNA-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)n(C)n1 ZINC000335217248 355055649 /nfs/dbraw/zinc/05/56/49/355055649.db2.gz YQUXTHIERSLTNA-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO CC(C)N1CC[N@H+](CCOC2CCC2)CC1=O ZINC000346952127 355165534 /nfs/dbraw/zinc/16/55/34/355165534.db2.gz VKNCUSRCMROLKJ-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)N1CC[N@@H+](CCOC2CCC2)CC1=O ZINC000346952127 355165538 /nfs/dbraw/zinc/16/55/38/355165538.db2.gz VKNCUSRCMROLKJ-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncnn2C)CC1(C)C ZINC000639229965 355143233 /nfs/dbraw/zinc/14/32/33/355143233.db2.gz FISNMJJFZWYYQC-JTQLQIEISA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncnn2C)CC1(C)C ZINC000639229965 355143235 /nfs/dbraw/zinc/14/32/35/355143235.db2.gz FISNMJJFZWYYQC-JTQLQIEISA-N 1 2 238.335 1.062 20 0 BDADLO C[N@H+](CCOC1CCC1)CC(=O)OC(C)(C)C ZINC000346900509 355148188 /nfs/dbraw/zinc/14/81/88/355148188.db2.gz JGWDIVDWAMDJMW-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO C[N@@H+](CCOC1CCC1)CC(=O)OC(C)(C)C ZINC000346900509 355148190 /nfs/dbraw/zinc/14/81/90/355148190.db2.gz JGWDIVDWAMDJMW-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@H]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC000346978233 355212929 /nfs/dbraw/zinc/21/29/29/355212929.db2.gz KVFLLDNZJSWXDJ-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1scc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1C ZINC000639230896 355177787 /nfs/dbraw/zinc/17/77/87/355177787.db2.gz GXFRGVSYQOHFEL-QMMMGPOBSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1scc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1C ZINC000639230896 355177789 /nfs/dbraw/zinc/17/77/89/355177789.db2.gz GXFRGVSYQOHFEL-QMMMGPOBSA-N 1 2 238.356 1.685 20 0 BDADLO CCC[C@H]([NH2+]Cc1nncn1C)c1ccccn1 ZINC000346982411 355184616 /nfs/dbraw/zinc/18/46/16/355184616.db2.gz RLZNSIDFTWQWQE-NSHDSACASA-N 1 2 245.330 1.841 20 0 BDADLO CC(=O)[C@H](C)SCC[N@@H+]1CCO[C@@H](C)C1 ZINC000412994312 191332498 /nfs/dbraw/zinc/33/24/98/191332498.db2.gz ARGUPDLLBZYMAR-ONGXEEELSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@H](C)SCC[N@H+]1CCO[C@@H](C)C1 ZINC000412994312 191332501 /nfs/dbraw/zinc/33/25/01/191332501.db2.gz ARGUPDLLBZYMAR-ONGXEEELSA-N 1 2 231.361 1.418 20 0 BDADLO CC(C)[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413154270 191356383 /nfs/dbraw/zinc/35/63/83/191356383.db2.gz NGZCWOWSRCTSDH-SNVBAGLBSA-N 1 2 236.319 1.480 20 0 BDADLO CC(C)[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413154270 191356386 /nfs/dbraw/zinc/35/63/86/191356386.db2.gz NGZCWOWSRCTSDH-SNVBAGLBSA-N 1 2 236.319 1.480 20 0 BDADLO COC(C)(C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413167320 191359816 /nfs/dbraw/zinc/35/98/16/191359816.db2.gz LPZARAKZBJRACE-UHFFFAOYSA-N 1 2 236.319 1.888 20 0 BDADLO COC(C)(C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413167320 191359818 /nfs/dbraw/zinc/35/98/18/191359818.db2.gz LPZARAKZBJRACE-UHFFFAOYSA-N 1 2 236.319 1.888 20 0 BDADLO CC(C)[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413176430 191361261 /nfs/dbraw/zinc/36/12/61/191361261.db2.gz KTMKAZPRPVVGBM-SNVBAGLBSA-N 1 2 236.319 1.480 20 0 BDADLO CC(C)[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413176430 191361263 /nfs/dbraw/zinc/36/12/63/191361263.db2.gz KTMKAZPRPVVGBM-SNVBAGLBSA-N 1 2 236.319 1.480 20 0 BDADLO COCC[C@H](C)CNc1cc(C)[nH+]cn1 ZINC000413487449 191388052 /nfs/dbraw/zinc/38/80/52/191388052.db2.gz CEEDFBKPLDRALB-VIFPVBQESA-N 1 2 209.293 1.291 20 0 BDADLO COCC[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000413491005 191388932 /nfs/dbraw/zinc/38/89/32/191388932.db2.gz JOOZKZLERIBMEX-VIFPVBQESA-N 1 2 249.318 1.448 20 0 BDADLO CCn1ccc(CNc2cc(C)[nH+]cn2)n1 ZINC000413488932 191389381 /nfs/dbraw/zinc/38/93/81/191389381.db2.gz FXHSECXELTUXNX-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@@H](O)C(C)C ZINC000413542703 191394670 /nfs/dbraw/zinc/39/46/70/191394670.db2.gz OEPJJRIGBCOIFP-PWSUYJOCSA-N 1 2 223.320 1.992 20 0 BDADLO C[C@H](O)[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241826 191363897 /nfs/dbraw/zinc/36/38/97/191363897.db2.gz UBUGJSAWYXKMOP-UWVGGRQHSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H](O)[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241826 191363900 /nfs/dbraw/zinc/36/39/00/191363900.db2.gz UBUGJSAWYXKMOP-UWVGGRQHSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000347603216 355252835 /nfs/dbraw/zinc/25/28/35/355252835.db2.gz XSYVOBOHWSSFRD-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO CC[C@H](CNc1cc(NC2CC2)nc[nH+]1)OC ZINC000413309135 191371071 /nfs/dbraw/zinc/37/10/71/191371071.db2.gz KYVNSXGOUBYPTH-SNVBAGLBSA-N 1 2 236.319 1.888 20 0 BDADLO CC[C@H](CNc1cc(NC2CC2)[nH+]cn1)OC ZINC000413309135 191371074 /nfs/dbraw/zinc/37/10/74/191371074.db2.gz KYVNSXGOUBYPTH-SNVBAGLBSA-N 1 2 236.319 1.888 20 0 BDADLO Cc1ccc(CCNc2cnccn2)[nH+]c1 ZINC000413352421 191373614 /nfs/dbraw/zinc/37/36/14/191373614.db2.gz NDFAIWBFVKMYNJ-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CC1(O)C[NH+](Cc2cnc3ccccc3n2)C1 ZINC000639253497 355291277 /nfs/dbraw/zinc/29/12/77/355291277.db2.gz HPKGNVHJRFKEAA-UHFFFAOYSA-N 1 2 229.283 1.196 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH+]1CC(C)(O)C1 ZINC000639253707 355291700 /nfs/dbraw/zinc/29/17/00/355291700.db2.gz FQJWTFFEZZFBGT-UHFFFAOYSA-N 1 2 223.320 1.274 20 0 BDADLO COCC1(C)C[NH+](Cc2ccns2)C1 ZINC000639255226 355298324 /nfs/dbraw/zinc/29/83/24/355298324.db2.gz PQTGWOLYLTXEQD-UHFFFAOYSA-N 1 2 212.318 1.611 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCCOC3)no1 ZINC000639251718 355284705 /nfs/dbraw/zinc/28/47/05/355284705.db2.gz UAYLHEITEJFLMH-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000623234278 355363681 /nfs/dbraw/zinc/36/36/81/355363681.db2.gz DQJBCCVOJMAUGQ-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000623234278 355363683 /nfs/dbraw/zinc/36/36/83/355363683.db2.gz DQJBCCVOJMAUGQ-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)no1 ZINC000639280848 355375191 /nfs/dbraw/zinc/37/51/91/355375191.db2.gz GOPQCCQITHNWEN-SNVBAGLBSA-N 1 2 245.286 1.151 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)no1 ZINC000639280848 355375193 /nfs/dbraw/zinc/37/51/93/355375193.db2.gz GOPQCCQITHNWEN-SNVBAGLBSA-N 1 2 245.286 1.151 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000623238195 355379881 /nfs/dbraw/zinc/37/98/81/355379881.db2.gz YQYRIAYFAGKEPS-UHFFFAOYSA-N 1 2 233.271 1.053 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000623238195 355379885 /nfs/dbraw/zinc/37/98/85/355379885.db2.gz YQYRIAYFAGKEPS-UHFFFAOYSA-N 1 2 233.271 1.053 20 0 BDADLO CC1(C)C[N@H+](Cc2ccns2)C[C@H](CO)O1 ZINC000639271811 355340600 /nfs/dbraw/zinc/34/06/00/355340600.db2.gz DTEDKFYSYHCDSL-SECBINFHSA-N 1 2 242.344 1.115 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccns2)C[C@H](CO)O1 ZINC000639271811 355340603 /nfs/dbraw/zinc/34/06/03/355340603.db2.gz DTEDKFYSYHCDSL-SECBINFHSA-N 1 2 242.344 1.115 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000582168746 355417605 /nfs/dbraw/zinc/41/76/05/355417605.db2.gz JEXGLERZWQIHEY-DDFAGTSDSA-N 1 2 240.347 1.500 20 0 BDADLO CCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349751166 355423191 /nfs/dbraw/zinc/42/31/91/355423191.db2.gz SUUSCIRRRKAGNX-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349751166 355423195 /nfs/dbraw/zinc/42/31/95/355423195.db2.gz SUUSCIRRRKAGNX-SECBINFHSA-N 1 2 225.292 1.414 20 0 BDADLO CSC1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000335781172 355428425 /nfs/dbraw/zinc/42/84/25/355428425.db2.gz YCHATDNKIMIJGP-UHFFFAOYSA-N 1 2 222.313 1.646 20 0 BDADLO C[C@H](O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000335788728 355439363 /nfs/dbraw/zinc/43/93/63/355439363.db2.gz LNIQYQWOABAOCU-VIFPVBQESA-N 1 2 231.255 1.192 20 0 BDADLO Cn1nccc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335812134 355498228 /nfs/dbraw/zinc/49/82/28/355498228.db2.gz WBCFALBAQMMFIW-VIFPVBQESA-N 1 2 245.286 1.121 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccccc1OCC1CC1 ZINC000349831431 355487797 /nfs/dbraw/zinc/48/77/97/355487797.db2.gz LJBGSIKOTUVMDA-UHFFFAOYSA-N 1 2 248.326 1.393 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccccc1OCC1CC1 ZINC000349831431 355487801 /nfs/dbraw/zinc/48/78/01/355487801.db2.gz LJBGSIKOTUVMDA-UHFFFAOYSA-N 1 2 248.326 1.393 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccon1 ZINC000349836320 355490322 /nfs/dbraw/zinc/49/03/22/355490322.db2.gz RUINJBVKSMKCKW-VWYCJHECSA-N 1 2 235.331 1.950 20 0 BDADLO CC[C@H]([NH2+]CCC(C)(C)C(=O)OC)C(=O)OC ZINC000349963562 355542852 /nfs/dbraw/zinc/54/28/52/355542852.db2.gz JQDPOQCECYGTSN-VIFPVBQESA-N 1 2 245.319 1.117 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335830869 355557433 /nfs/dbraw/zinc/55/74/33/355557433.db2.gz ZSRVOZRKWZGYBY-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335819274 355510397 /nfs/dbraw/zinc/51/03/97/355510397.db2.gz JAXVNXPBQGTIQK-QLJPJBMISA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335819274 355510399 /nfs/dbraw/zinc/51/03/99/355510399.db2.gz JAXVNXPBQGTIQK-QLJPJBMISA-N 1 2 241.356 1.788 20 0 BDADLO C[NH2+]Cc1noc(Cc2cc(C)ccc2OC)n1 ZINC000349921698 355527517 /nfs/dbraw/zinc/52/75/17/355527517.db2.gz OAQZRPFGJCKXJK-UHFFFAOYSA-N 1 2 247.298 1.697 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCNC(=O)C2)c(C)[nH+]1 ZINC000335840543 355583895 /nfs/dbraw/zinc/58/38/95/355583895.db2.gz TYNFXNVQRWMPQK-JTQLQIEISA-N 1 2 247.298 1.163 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000335851859 355595436 /nfs/dbraw/zinc/59/54/36/355595436.db2.gz CAHRKKFXQJNOMB-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000335851859 355595438 /nfs/dbraw/zinc/59/54/38/355595438.db2.gz CAHRKKFXQJNOMB-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCOCC12CC2 ZINC000335853497 355598183 /nfs/dbraw/zinc/59/81/83/355598183.db2.gz KEUBGABEJBFKMH-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1ccoc1C[N@H+]1CCOCC12CC2 ZINC000335853497 355598186 /nfs/dbraw/zinc/59/81/86/355598186.db2.gz KEUBGABEJBFKMH-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335856000 355600431 /nfs/dbraw/zinc/60/04/31/355600431.db2.gz SINUPAMDWNWBBY-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335856000 355600435 /nfs/dbraw/zinc/60/04/35/355600435.db2.gz SINUPAMDWNWBBY-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CCc1oc(C(=O)NCc2c[nH+]c[nH]2)cc1C ZINC000350150889 355616297 /nfs/dbraw/zinc/61/62/97/355616297.db2.gz HZPKQWUFQDBQQK-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CCc1oc(C(=O)NCc2c[nH]c[nH+]2)cc1C ZINC000350150889 355616302 /nfs/dbraw/zinc/61/63/02/355616302.db2.gz HZPKQWUFQDBQQK-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO Cc1occc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000623243634 355610250 /nfs/dbraw/zinc/61/02/50/355610250.db2.gz IUMFBVPPKHEDRI-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1occc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000623243634 355610252 /nfs/dbraw/zinc/61/02/52/355610252.db2.gz IUMFBVPPKHEDRI-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)c1cccnc1 ZINC000349995517 355572365 /nfs/dbraw/zinc/57/23/65/355572365.db2.gz RQIARENVFCDGEF-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)c1cccnc1 ZINC000349995517 355572370 /nfs/dbraw/zinc/57/23/70/355572370.db2.gz RQIARENVFCDGEF-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)sn1 ZINC000639305883 355670180 /nfs/dbraw/zinc/67/01/80/355670180.db2.gz FUCHIJXDWHAZKU-PSASIEDQSA-N 1 2 249.343 1.839 20 0 BDADLO NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336603118 181202040 /nfs/dbraw/zinc/20/20/40/181202040.db2.gz WNYACKHMEIVAQM-UHFFFAOYSA-N 1 2 206.245 1.286 20 0 BDADLO NC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000336603118 181202041 /nfs/dbraw/zinc/20/20/41/181202041.db2.gz WNYACKHMEIVAQM-UHFFFAOYSA-N 1 2 206.245 1.286 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnc(C)n1 ZINC000350242707 355654503 /nfs/dbraw/zinc/65/45/03/355654503.db2.gz UQTNLTOFSZZTAF-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnc(C)n1 ZINC000350242707 355654505 /nfs/dbraw/zinc/65/45/05/355654505.db2.gz UQTNLTOFSZZTAF-GXFFZTMASA-N 1 2 235.331 1.784 20 0 BDADLO COCC1(CCNc2nc(C)[nH+]cc2C)CC1 ZINC000583575171 355657470 /nfs/dbraw/zinc/65/74/70/355657470.db2.gz VJGBSVZGCZDYQD-UHFFFAOYSA-N 1 2 235.331 1.744 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCCNC(=O)C2)c1 ZINC000639310062 355666028 /nfs/dbraw/zinc/66/60/28/355666028.db2.gz BKVVSDVUEQHWSZ-LLVKDONJSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2C(C)(C)C)[C@@H]1C ZINC000335887119 355678965 /nfs/dbraw/zinc/67/89/65/355678965.db2.gz HAPZICHCPTXFLS-NXEZZACHSA-N 1 2 222.336 1.873 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2C(C)(C)C)[C@@H]1C ZINC000335887119 355678968 /nfs/dbraw/zinc/67/89/68/355678968.db2.gz HAPZICHCPTXFLS-NXEZZACHSA-N 1 2 222.336 1.873 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000335890767 355683521 /nfs/dbraw/zinc/68/35/21/355683521.db2.gz HRSKQQIELSKMFT-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000335890767 355683525 /nfs/dbraw/zinc/68/35/25/355683525.db2.gz HRSKQQIELSKMFT-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO O=C(Nc1cccnc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335892946 355686114 /nfs/dbraw/zinc/68/61/14/355686114.db2.gz ZGEZLPVKYJHDRB-MRVPVSSYSA-N 1 2 227.214 1.017 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000350723990 355749748 /nfs/dbraw/zinc/74/97/48/355749748.db2.gz GZFHYRVYJYAXND-SCZZXKLOSA-N 1 2 219.288 1.314 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1C2CCC1CC2 ZINC000623250929 355821463 /nfs/dbraw/zinc/82/14/63/355821463.db2.gz CXNIIQMNDVASCZ-UHFFFAOYSA-N 1 2 233.315 1.817 20 0 BDADLO COC(=O)[C@](C)([NH2+]C[C@H]1CCCCO1)C1CC1 ZINC000536606814 355845341 /nfs/dbraw/zinc/84/53/41/355845341.db2.gz PUEXNNVXSMSLBP-DGCLKSJQSA-N 1 2 241.331 1.487 20 0 BDADLO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363367 355846940 /nfs/dbraw/zinc/84/69/40/355846940.db2.gz HNCLGJURDYTWOY-WDEREUQCSA-N 1 2 208.309 1.719 20 0 BDADLO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363367 355846942 /nfs/dbraw/zinc/84/69/42/355846942.db2.gz HNCLGJURDYTWOY-WDEREUQCSA-N 1 2 208.309 1.719 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000628363548 355848590 /nfs/dbraw/zinc/84/85/90/355848590.db2.gz NWZOSFIRNBYKFF-NWDGAFQWSA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000628363548 355848593 /nfs/dbraw/zinc/84/85/93/355848593.db2.gz NWZOSFIRNBYKFF-NWDGAFQWSA-N 1 2 220.320 1.863 20 0 BDADLO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363516 355848601 /nfs/dbraw/zinc/84/86/01/355848601.db2.gz NCPFBKVOYWYRLL-WDEREUQCSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363516 355848604 /nfs/dbraw/zinc/84/86/04/355848604.db2.gz NCPFBKVOYWYRLL-WDEREUQCSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]nn1)C1CCSCC1 ZINC000628363580 355849092 /nfs/dbraw/zinc/84/90/92/355849092.db2.gz PLWXQLKPZGHSBV-MRVPVSSYSA-N 1 2 226.349 1.426 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]n1)C1CCSCC1 ZINC000628363580 355849093 /nfs/dbraw/zinc/84/90/93/355849093.db2.gz PLWXQLKPZGHSBV-MRVPVSSYSA-N 1 2 226.349 1.426 20 0 BDADLO CCCN(CC)C(=O)CCCn1cc[nH+]c1 ZINC000623254926 355856574 /nfs/dbraw/zinc/85/65/74/355856574.db2.gz XNRPJKAHJPPPIP-UHFFFAOYSA-N 1 2 223.320 1.922 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425458834 191862560 /nfs/dbraw/zinc/86/25/60/191862560.db2.gz NJOBVZNDNDREPH-UHFFFAOYSA-N 1 2 235.234 1.476 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425458834 191862561 /nfs/dbraw/zinc/86/25/61/191862561.db2.gz NJOBVZNDNDREPH-UHFFFAOYSA-N 1 2 235.234 1.476 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CC2(CCC2)C1 ZINC000623255821 355861627 /nfs/dbraw/zinc/86/16/27/355861627.db2.gz WZMZRKZLBYZAFP-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2cn[nH]c2C)C1 ZINC000639379140 355914841 /nfs/dbraw/zinc/91/48/41/355914841.db2.gz DRYCTWQIMIXTLR-UHFFFAOYSA-N 1 2 235.331 1.577 20 0 BDADLO CC1([NH2+]Cc2csc(C3CC3)n2)COC1 ZINC000639381651 355924588 /nfs/dbraw/zinc/92/45/88/355924588.db2.gz GOHBWDLAXDFNDG-UHFFFAOYSA-N 1 2 224.329 1.899 20 0 BDADLO CCC[C@@H](C)[N@H+](C)Cc1noc(CCOC)n1 ZINC000351293016 355974013 /nfs/dbraw/zinc/97/40/13/355974013.db2.gz WYWPXTCAQPUNSZ-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CCC[C@@H](C)[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351293016 355974019 /nfs/dbraw/zinc/97/40/19/355974019.db2.gz WYWPXTCAQPUNSZ-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CCC[C@H](C)[N@H+](C)Cc1noc(CCOC)n1 ZINC000351293015 355974234 /nfs/dbraw/zinc/97/42/34/355974234.db2.gz WYWPXTCAQPUNSZ-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO CCC[C@H](C)[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351293015 355974239 /nfs/dbraw/zinc/97/42/39/355974239.db2.gz WYWPXTCAQPUNSZ-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000351491721 356000944 /nfs/dbraw/zinc/00/09/44/356000944.db2.gz PFSZDQAWZPVXHH-UHFFFAOYSA-N 1 2 247.342 1.422 20 0 BDADLO COCCc1nc(C[N@@H+]2CC[C@@H](C)C2)no1 ZINC000351497570 356002923 /nfs/dbraw/zinc/00/29/23/356002923.db2.gz ULYLQQIFYXMVSO-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO COCCc1nc(C[N@H+]2CC[C@@H](C)C2)no1 ZINC000351497570 356002928 /nfs/dbraw/zinc/00/29/28/356002928.db2.gz ULYLQQIFYXMVSO-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H](O)C(F)(F)F ZINC000583641070 355947082 /nfs/dbraw/zinc/94/70/82/355947082.db2.gz CXHOHPWJYIGSFW-MRVPVSSYSA-N 1 2 249.236 1.453 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351147125 355954111 /nfs/dbraw/zinc/95/41/11/355954111.db2.gz QQMPVWSHQOFKGB-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351147125 355954113 /nfs/dbraw/zinc/95/41/13/355954113.db2.gz QQMPVWSHQOFKGB-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623256550 355960116 /nfs/dbraw/zinc/96/01/16/355960116.db2.gz PQRKBJSEEAEJSF-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000351201524 355961064 /nfs/dbraw/zinc/96/10/64/355961064.db2.gz KLOUGYGNNYSSFN-LBPRGKRZSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)CCO1 ZINC000351201524 355961065 /nfs/dbraw/zinc/96/10/65/355961065.db2.gz KLOUGYGNNYSSFN-LBPRGKRZSA-N 1 2 242.363 1.210 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608747248 355970079 /nfs/dbraw/zinc/97/00/79/355970079.db2.gz BXGWBFURJZIWON-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608747248 355970081 /nfs/dbraw/zinc/97/00/81/355970081.db2.gz BXGWBFURJZIWON-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO Cc1noc(C)c1CNc1cccc(CO)[nH+]1 ZINC000351271123 355970954 /nfs/dbraw/zinc/97/09/54/355970954.db2.gz QOPRZVRWDOWVOC-UHFFFAOYSA-N 1 2 233.271 1.791 20 0 BDADLO CC(C)(C)n1cc(C[NH+]2CC(C)(C)C2)nn1 ZINC000639393070 356063612 /nfs/dbraw/zinc/06/36/12/356063612.db2.gz FOWGHUCUHVUKDQ-UHFFFAOYSA-N 1 2 222.336 1.875 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336066848 134070759 /nfs/dbraw/zinc/07/07/59/134070759.db2.gz XOSXTXFQNONANO-ZETCQYMHSA-N 1 2 232.736 1.611 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257021 356025422 /nfs/dbraw/zinc/02/54/22/356025422.db2.gz ADYDFZDGYKHPGQ-NQBHXWOUSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccon2)n1 ZINC000351595598 356025977 /nfs/dbraw/zinc/02/59/77/356025977.db2.gz RMDCQPZVZUDBQC-VIFPVBQESA-N 1 2 233.271 1.934 20 0 BDADLO CC1(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623258189 356065475 /nfs/dbraw/zinc/06/54/75/356065475.db2.gz JFKKEWLHVZPRRA-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@](C)(O)C2)no1 ZINC000351718297 356069475 /nfs/dbraw/zinc/06/94/75/356069475.db2.gz QFJCGHRKZZYCKE-LDYMZIIASA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@](C)(O)C2)no1 ZINC000351718297 356069478 /nfs/dbraw/zinc/06/94/78/356069478.db2.gz QFJCGHRKZZYCKE-LDYMZIIASA-N 1 2 225.292 1.286 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)cn1 ZINC000351734524 356074289 /nfs/dbraw/zinc/07/42/89/356074289.db2.gz JNRLEQSTXUCXTI-JTQLQIEISA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)cn1 ZINC000351734524 356074296 /nfs/dbraw/zinc/07/42/96/356074296.db2.gz JNRLEQSTXUCXTI-JTQLQIEISA-N 1 2 245.330 1.712 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CC[C@@H](C)F)CCO2)no1 ZINC000351734489 356074307 /nfs/dbraw/zinc/07/43/07/356074307.db2.gz JBUYBOFBWGXPLB-SCZZXKLOSA-N 1 2 243.282 1.499 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CC[C@@H](C)F)CCO2)no1 ZINC000351734489 356074312 /nfs/dbraw/zinc/07/43/12/356074312.db2.gz JBUYBOFBWGXPLB-SCZZXKLOSA-N 1 2 243.282 1.499 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CC[C@H](C)F)CCO2)no1 ZINC000351734492 356074791 /nfs/dbraw/zinc/07/47/91/356074791.db2.gz JBUYBOFBWGXPLB-WPRPVWTQSA-N 1 2 243.282 1.499 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CC[C@H](C)F)CCO2)no1 ZINC000351734492 356074795 /nfs/dbraw/zinc/07/47/95/356074795.db2.gz JBUYBOFBWGXPLB-WPRPVWTQSA-N 1 2 243.282 1.499 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnc(C)nc1 ZINC000351824070 356091647 /nfs/dbraw/zinc/09/16/47/356091647.db2.gz PKPZQPTXFYOTOG-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnc(C)nc1 ZINC000351824070 356091649 /nfs/dbraw/zinc/09/16/49/356091649.db2.gz PKPZQPTXFYOTOG-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO CO[C@@H](C)C[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262067 356161925 /nfs/dbraw/zinc/16/19/25/356161925.db2.gz NAYWSJPYMFTNQA-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO CO[C@@H](C)C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262067 356161926 /nfs/dbraw/zinc/16/19/26/356161926.db2.gz NAYWSJPYMFTNQA-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO C[C@@H]1CCC[C@H]1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262221 356162376 /nfs/dbraw/zinc/16/23/76/356162376.db2.gz TTYRWAGVQGOTMO-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H](c1ccccc1F)[N@H+](C)[C@H]1CCNC1=O ZINC000335919002 356165672 /nfs/dbraw/zinc/16/56/72/356165672.db2.gz VKMUKVWTVYMMEU-SKDRFNHKSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H](c1ccccc1F)[N@@H+](C)[C@H]1CCNC1=O ZINC000335919002 356165674 /nfs/dbraw/zinc/16/56/74/356165674.db2.gz VKMUKVWTVYMMEU-SKDRFNHKSA-N 1 2 236.290 1.707 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262686 356171738 /nfs/dbraw/zinc/17/17/38/356171738.db2.gz LQQJYNLZHSOPHC-DCAQKATOSA-N 1 2 235.331 1.606 20 0 BDADLO CCc1cnccc1CNc1cc(C)[nH+]cn1 ZINC000351902011 356172685 /nfs/dbraw/zinc/17/26/85/356172685.db2.gz YQOAZBIFFKQUJC-UHFFFAOYSA-N 1 2 228.299 1.776 20 0 BDADLO NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337661561 181251501 /nfs/dbraw/zinc/25/15/01/181251501.db2.gz LSTZBWPVTIAVSS-SNVBAGLBSA-N 1 2 248.330 1.478 20 0 BDADLO Cc1nc(N2CCC[C@@]23CCOC3)cc[nH+]1 ZINC000376429058 192018051 /nfs/dbraw/zinc/01/80/51/192018051.db2.gz SCPOFHTWZNETCT-LBPRGKRZSA-N 1 2 219.288 1.544 20 0 BDADLO C(c1noc(C[N@@H+]2CCCOCC2)n1)C1CC1 ZINC000639466021 356251681 /nfs/dbraw/zinc/25/16/81/356251681.db2.gz ROEGXEALOUEEFQ-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO C(c1noc(C[N@H+]2CCCOCC2)n1)C1CC1 ZINC000639466021 356251684 /nfs/dbraw/zinc/25/16/84/356251684.db2.gz ROEGXEALOUEEFQ-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1CCO[C@@H]1C ZINC000639474116 356267583 /nfs/dbraw/zinc/26/75/83/356267583.db2.gz MJHJVNRWJBSZSM-NXEZZACHSA-N 1 2 237.290 1.625 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1CCO[C@@H]1C ZINC000639474116 356267584 /nfs/dbraw/zinc/26/75/84/356267584.db2.gz MJHJVNRWJBSZSM-NXEZZACHSA-N 1 2 237.290 1.625 20 0 BDADLO CC(C)c1n[nH]c(=NCC[C@H]2CCC[NH2+]2)s1 ZINC000420242442 192183924 /nfs/dbraw/zinc/18/39/24/192183924.db2.gz VLHYWVOGKNKDSK-SECBINFHSA-N 1 2 240.376 1.637 20 0 BDADLO COc1cc(C[N@H+](C)CC(C)=O)cc(OC)c1 ZINC000639459378 356246436 /nfs/dbraw/zinc/24/64/36/356246436.db2.gz MMSJIPGJHUUDEY-UHFFFAOYSA-N 1 2 237.299 1.725 20 0 BDADLO COc1cc(C[N@@H+](C)CC(C)=O)cc(OC)c1 ZINC000639459378 356246438 /nfs/dbraw/zinc/24/64/38/356246438.db2.gz MMSJIPGJHUUDEY-UHFFFAOYSA-N 1 2 237.299 1.725 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2ncncc2c1 ZINC000352163260 134090440 /nfs/dbraw/zinc/09/04/40/134090440.db2.gz ZFVOMQZVJYIRGT-UHFFFAOYSA-N 1 2 240.266 1.942 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000066563110 181267908 /nfs/dbraw/zinc/26/79/08/181267908.db2.gz ZTYWMVFXXMWAJO-LBPRGKRZSA-N 1 2 236.290 1.666 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000066563110 181267910 /nfs/dbraw/zinc/26/79/10/181267910.db2.gz ZTYWMVFXXMWAJO-LBPRGKRZSA-N 1 2 236.290 1.666 20 0 BDADLO CCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623276416 356417127 /nfs/dbraw/zinc/41/71/27/356417127.db2.gz APUGLSVCHIXXBZ-SNVBAGLBSA-N 1 2 221.304 1.504 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N(C)[C@@H](C)CO)[nH+]1 ZINC000631180209 356421612 /nfs/dbraw/zinc/42/16/12/356421612.db2.gz NQRBDHWYVKVQPY-VIFPVBQESA-N 1 2 248.330 1.898 20 0 BDADLO CCC(F)(F)CN(C)Cc1[nH]cc[nH+]1 ZINC000639551230 356432258 /nfs/dbraw/zinc/43/22/58/356432258.db2.gz KIXZMWCTSIHTFM-UHFFFAOYSA-N 1 2 203.236 1.887 20 0 BDADLO O=C(Nc1cccnc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639545937 356407416 /nfs/dbraw/zinc/40/74/16/356407416.db2.gz GASFEQPNFMKRMJ-SNVBAGLBSA-N 1 2 243.270 1.025 20 0 BDADLO O=C(CC1CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623281288 356457762 /nfs/dbraw/zinc/45/77/62/356457762.db2.gz RJNQESWPHUAEPS-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO CCCc1noc(C[N@H+](CC)C[C@@H](C)O)n1 ZINC000352211547 134107957 /nfs/dbraw/zinc/10/79/57/134107957.db2.gz LBXHZNDJCQOMCM-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](CC)C[C@@H](C)O)n1 ZINC000352211547 134107958 /nfs/dbraw/zinc/10/79/58/134107958.db2.gz LBXHZNDJCQOMCM-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CC[N@@H+](Cc1nc(CC(C)C)no1)C[C@H](C)O ZINC000352219022 134108959 /nfs/dbraw/zinc/10/89/59/134108959.db2.gz BBVAQPYNEKSKKL-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC[N@H+](Cc1nc(CC(C)C)no1)C[C@H](C)O ZINC000352219022 134108960 /nfs/dbraw/zinc/10/89/60/134108960.db2.gz BBVAQPYNEKSKKL-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000420618787 192249618 /nfs/dbraw/zinc/24/96/18/192249618.db2.gz DRZMPGFOZOAUCL-LLVKDONJSA-N 1 2 248.330 1.315 20 0 BDADLO CC(C)c1nc(N2CC[C@]23CCOC3)cc[nH+]1 ZINC000420645971 192254420 /nfs/dbraw/zinc/25/44/20/192254420.db2.gz VGESDGPMWMOTKW-CYBMUJFWSA-N 1 2 233.315 1.969 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)CCCCO)n1 ZINC000349938226 366243679 /nfs/dbraw/zinc/24/36/79/366243679.db2.gz XDCQFLGHLFVLKN-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)CCCCO)n1 ZINC000349938226 366243684 /nfs/dbraw/zinc/24/36/84/366243684.db2.gz XDCQFLGHLFVLKN-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377902732 181277835 /nfs/dbraw/zinc/27/78/35/181277835.db2.gz CIJYHARRBWKDRX-XQQFMLRXSA-N 1 2 246.310 1.076 20 0 BDADLO NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377902732 181277837 /nfs/dbraw/zinc/27/78/37/181277837.db2.gz CIJYHARRBWKDRX-XQQFMLRXSA-N 1 2 246.310 1.076 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000271570406 181284672 /nfs/dbraw/zinc/28/46/72/181284672.db2.gz OOTLHPUVKFDJII-LLVKDONJSA-N 1 2 236.340 1.089 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000271570406 181284674 /nfs/dbraw/zinc/28/46/74/181284674.db2.gz OOTLHPUVKFDJII-LLVKDONJSA-N 1 2 236.340 1.089 20 0 BDADLO C[N@H+](Cc1nc(C2CCC2)no1)C1CC(O)C1 ZINC000639582424 356502990 /nfs/dbraw/zinc/50/29/90/356502990.db2.gz BKOFASDNGSORSF-UHFFFAOYSA-N 1 2 237.303 1.292 20 0 BDADLO C[N@@H+](Cc1nc(C2CCC2)no1)C1CC(O)C1 ZINC000639582424 356502992 /nfs/dbraw/zinc/50/29/92/356502992.db2.gz BKOFASDNGSORSF-UHFFFAOYSA-N 1 2 237.303 1.292 20 0 BDADLO CC[C@@H](F)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950977 192278287 /nfs/dbraw/zinc/27/82/87/192278287.db2.gz XTJBCFAUWMOQSM-NXEZZACHSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@@H](F)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420950977 192278289 /nfs/dbraw/zinc/27/82/89/192278289.db2.gz XTJBCFAUWMOQSM-NXEZZACHSA-N 1 2 219.300 1.206 20 0 BDADLO C[N@H+](CCCCO)Cc1nc(C2CCC2)no1 ZINC000639606164 356526625 /nfs/dbraw/zinc/52/66/25/356526625.db2.gz GKVMNWSZTXFVAL-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO C[N@@H+](CCCCO)Cc1nc(C2CCC2)no1 ZINC000639606164 356526627 /nfs/dbraw/zinc/52/66/27/356526627.db2.gz GKVMNWSZTXFVAL-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO Cc1ccc(NC(=O)NCC2(O)CCC2)c(C)[nH+]1 ZINC000336185294 134121232 /nfs/dbraw/zinc/12/12/32/134121232.db2.gz TZPBMZRNKIRBAR-UHFFFAOYSA-N 1 2 249.314 1.735 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000449771521 202029681 /nfs/dbraw/zinc/02/96/81/202029681.db2.gz FMMSHDGUHPAIDM-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000449771521 202029683 /nfs/dbraw/zinc/02/96/83/202029683.db2.gz FMMSHDGUHPAIDM-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc(Cc2c[nH+]cn2C)n1 ZINC000350402500 366276066 /nfs/dbraw/zinc/27/60/66/366276066.db2.gz GCIXXVCCQPHRIG-APPZFPTMSA-N 1 2 218.260 1.517 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC=CCC1 ZINC000623296519 356541945 /nfs/dbraw/zinc/54/19/45/356541945.db2.gz KZQIJIPJIKUGTA-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO CCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623297049 356548124 /nfs/dbraw/zinc/54/81/24/356548124.db2.gz VZFCFBZCJVMOOT-VIFPVBQESA-N 1 2 207.277 1.114 20 0 BDADLO Cc1occc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623297286 356549639 /nfs/dbraw/zinc/54/96/39/356549639.db2.gz ATSSCGPEZJIAHT-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)CC[C@H]1C ZINC000421082156 192312438 /nfs/dbraw/zinc/31/24/38/192312438.db2.gz HUYIYKAXZSYNNG-GHMZBOCLSA-N 1 2 249.314 1.189 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000623299094 356556524 /nfs/dbraw/zinc/55/65/24/356556524.db2.gz QEVLUJVJSBZGMA-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CCC(F)(F)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000639644054 356557351 /nfs/dbraw/zinc/55/73/51/356557351.db2.gz RVQJOTAPEVUTNO-SECBINFHSA-N 1 2 222.279 1.521 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)[nH]1 ZINC000421026010 192307311 /nfs/dbraw/zinc/30/73/11/192307311.db2.gz RMQFMYALRYPSHW-ZJUUUORDSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)CC[C@H]2C)[nH]1 ZINC000421026010 192307312 /nfs/dbraw/zinc/30/73/12/192307312.db2.gz RMQFMYALRYPSHW-ZJUUUORDSA-N 1 2 238.335 1.273 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)c[nH]1 ZINC000623300071 356560713 /nfs/dbraw/zinc/56/07/13/356560713.db2.gz IOCSPIDPZIJYOG-VIFPVBQESA-N 1 2 248.261 1.095 20 0 BDADLO CC1(C)CO[C@H](C[N@@H+]2CCn3cncc3C2)C1 ZINC000639648633 356560962 /nfs/dbraw/zinc/56/09/62/356560962.db2.gz KXJLQFCIZVTYEW-LBPRGKRZSA-N 1 2 235.331 1.514 20 0 BDADLO CC1(C)CO[C@H](C[N@H+]2CCn3cncc3C2)C1 ZINC000639648633 356560967 /nfs/dbraw/zinc/56/09/67/356560967.db2.gz KXJLQFCIZVTYEW-LBPRGKRZSA-N 1 2 235.331 1.514 20 0 BDADLO CC1(C)CO[C@H](CN2CCn3c[nH+]cc3C2)C1 ZINC000639648633 356560969 /nfs/dbraw/zinc/56/09/69/356560969.db2.gz KXJLQFCIZVTYEW-LBPRGKRZSA-N 1 2 235.331 1.514 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299719 356565612 /nfs/dbraw/zinc/56/56/12/356565612.db2.gz BKIYDSFSOIZTCZ-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC1(C)C ZINC000336208226 134133276 /nfs/dbraw/zinc/13/32/76/134133276.db2.gz DWZIHXGAYSBAGL-ZYHUDNBSSA-N 1 2 247.342 1.702 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421319029 192316407 /nfs/dbraw/zinc/31/64/07/192316407.db2.gz JOFJNOYXHYDWJX-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421319029 192316409 /nfs/dbraw/zinc/31/64/09/192316409.db2.gz JOFJNOYXHYDWJX-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO O=C1[C@@H]([N@@H+]2CC[C@@H](F)C2)CCN1C1CCC1 ZINC000639665150 356579520 /nfs/dbraw/zinc/57/95/20/356579520.db2.gz XGFHMVZKMYYJOG-KOLCDFICSA-N 1 2 226.295 1.184 20 0 BDADLO O=C1[C@@H]([N@H+]2CC[C@@H](F)C2)CCN1C1CCC1 ZINC000639665150 356579521 /nfs/dbraw/zinc/57/95/21/356579521.db2.gz XGFHMVZKMYYJOG-KOLCDFICSA-N 1 2 226.295 1.184 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1CCO[C@H]1C ZINC000639666661 356581477 /nfs/dbraw/zinc/58/14/77/356581477.db2.gz UFJRFOVZRLGRST-GUBZILKMSA-N 1 2 237.290 1.359 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCO[C@H]1C ZINC000639666661 356581478 /nfs/dbraw/zinc/58/14/78/356581478.db2.gz UFJRFOVZRLGRST-GUBZILKMSA-N 1 2 237.290 1.359 20 0 BDADLO CC[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302301 356582123 /nfs/dbraw/zinc/58/21/23/356582123.db2.gz CWKOCODKFLZLBA-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ncccc1O ZINC000122685873 363493055 /nfs/dbraw/zinc/49/30/55/363493055.db2.gz MSQHKNDBFCQMDH-UHFFFAOYSA-N 1 2 246.270 1.403 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC12CCC2 ZINC000623307872 356614903 /nfs/dbraw/zinc/61/49/03/356614903.db2.gz PTVYIPGQAYBOID-ZYHUDNBSSA-N 1 2 245.326 1.504 20 0 BDADLO CC[N@H+]1[C@H](C)CN(Cc2n[nH]c(C)n2)C[C@@H]1C ZINC000639742722 356632099 /nfs/dbraw/zinc/63/20/99/356632099.db2.gz SVCODULVBLFICC-AOOOYVTPSA-N 1 2 237.351 1.028 20 0 BDADLO CC[C@H](NC(=O)c1ncccc1F)c1[nH]cc[nH+]1 ZINC000613579761 363522764 /nfs/dbraw/zinc/52/27/64/363522764.db2.gz UEMIZPIXBQPEPX-VIFPVBQESA-N 1 2 248.261 1.825 20 0 BDADLO CC[C@@H](NC(=O)c1ncccc1F)c1[nH]cc[nH+]1 ZINC000613579760 363522776 /nfs/dbraw/zinc/52/27/76/363522776.db2.gz UEMIZPIXBQPEPX-SECBINFHSA-N 1 2 248.261 1.825 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000630093500 363526952 /nfs/dbraw/zinc/52/69/52/363526952.db2.gz MBORDZYMCZTNKH-NWDGAFQWSA-N 1 2 234.299 1.553 20 0 BDADLO C[NH+]1CCN(Cc2nnc(C3CC3)s2)CC1 ZINC000450241339 202104303 /nfs/dbraw/zinc/10/43/03/202104303.db2.gz KPERIAVKFHQYIN-UHFFFAOYSA-N 1 2 238.360 1.163 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1cccs1)S(C)(=O)=O ZINC000450237413 202105039 /nfs/dbraw/zinc/10/50/39/202105039.db2.gz MFLXLPDNCAGKJR-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1cccs1)S(C)(=O)=O ZINC000450237413 202105041 /nfs/dbraw/zinc/10/50/41/202105041.db2.gz MFLXLPDNCAGKJR-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@@H]1CCCO1 ZINC000450271490 202116948 /nfs/dbraw/zinc/11/69/48/202116948.db2.gz QQCSASHDVDSAFM-BDAKNGLRSA-N 1 2 227.333 1.710 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000450271490 202116952 /nfs/dbraw/zinc/11/69/52/202116952.db2.gz QQCSASHDVDSAFM-BDAKNGLRSA-N 1 2 227.333 1.710 20 0 BDADLO CCC[N@@H+]1CC[C@@H](CN=c2[nH]ncs2)C1 ZINC000450274802 202117193 /nfs/dbraw/zinc/11/71/93/202117193.db2.gz LAGXLMBEQWMTFE-VIFPVBQESA-N 1 2 226.349 1.104 20 0 BDADLO CCC[N@H+]1CC[C@@H](CN=c2[nH]ncs2)C1 ZINC000450274802 202117196 /nfs/dbraw/zinc/11/71/96/202117196.db2.gz LAGXLMBEQWMTFE-VIFPVBQESA-N 1 2 226.349 1.104 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000450295365 202120705 /nfs/dbraw/zinc/12/07/05/202120705.db2.gz XPSGWENCAJCGAZ-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2CO)s1 ZINC000450295365 202120707 /nfs/dbraw/zinc/12/07/07/202120707.db2.gz XPSGWENCAJCGAZ-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CS[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC000130162058 358509143 /nfs/dbraw/zinc/50/91/43/358509143.db2.gz FPYAEPLFLHLJHL-JTQLQIEISA-N 1 2 241.360 1.531 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(-c2ccon2)n1 ZINC000350656473 366318453 /nfs/dbraw/zinc/31/84/53/366318453.db2.gz GYVYHUCINVYWCW-UHFFFAOYSA-N 1 2 231.215 1.049 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC4(CC4)C3)ccn12 ZINC000578142752 366321591 /nfs/dbraw/zinc/32/15/91/366321591.db2.gz UFXMNEVSFIAGIO-UHFFFAOYSA-N 1 2 241.294 1.879 20 0 BDADLO C[NH+](C)[C@H]1CCC[C@@H](N=c2[nH]ncs2)C1 ZINC000450367191 202145217 /nfs/dbraw/zinc/14/52/17/202145217.db2.gz BFRHDTFLNUYGKF-BDAKNGLRSA-N 1 2 226.349 1.245 20 0 BDADLO c1cn(CCc2nc([C@@H]3CCCOC3)no2)c[nH+]1 ZINC000350853040 366351783 /nfs/dbraw/zinc/35/17/83/366351783.db2.gz DBHYKLRHIMYEJB-SNVBAGLBSA-N 1 2 248.286 1.403 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC ZINC000384714761 356728672 /nfs/dbraw/zinc/72/86/72/356728672.db2.gz HBRKSVRQOKQZHB-WISYIIOYSA-N 1 2 243.347 1.874 20 0 BDADLO CC(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797099 356755755 /nfs/dbraw/zinc/75/57/55/356755755.db2.gz ZPYCFGITPGSLJH-UHFFFAOYSA-N 1 2 219.288 1.098 20 0 BDADLO CC(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797099 356755758 /nfs/dbraw/zinc/75/57/58/356755758.db2.gz ZPYCFGITPGSLJH-UHFFFAOYSA-N 1 2 219.288 1.098 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000639798550 356759554 /nfs/dbraw/zinc/75/95/54/356759554.db2.gz HRAHCPAIQZZBBI-GUBZILKMSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000639798550 356759558 /nfs/dbraw/zinc/75/95/58/356759558.db2.gz HRAHCPAIQZZBBI-GUBZILKMSA-N 1 2 235.274 1.113 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC(=O)N(C)CC1 ZINC000639813158 356792309 /nfs/dbraw/zinc/79/23/09/356792309.db2.gz GBGRVHMCSAWOGF-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000639813158 356792310 /nfs/dbraw/zinc/79/23/10/356792310.db2.gz GBGRVHMCSAWOGF-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CO[C@@H]1C[N@H+](CCc2csc(C)n2)CCO1 ZINC000639836935 356823206 /nfs/dbraw/zinc/82/32/06/356823206.db2.gz KTSYCSUIZGLRJE-NSHDSACASA-N 1 2 242.344 1.299 20 0 BDADLO CO[C@@H]1C[N@@H+](CCc2csc(C)n2)CCO1 ZINC000639836935 356823210 /nfs/dbraw/zinc/82/32/10/356823210.db2.gz KTSYCSUIZGLRJE-NSHDSACASA-N 1 2 242.344 1.299 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000639836977 356824640 /nfs/dbraw/zinc/82/46/40/356824640.db2.gz WUFGNENOSOCBJQ-LBPRGKRZSA-N 1 2 225.263 1.630 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000639836977 356824644 /nfs/dbraw/zinc/82/46/44/356824644.db2.gz WUFGNENOSOCBJQ-LBPRGKRZSA-N 1 2 225.263 1.630 20 0 BDADLO CO[C@@H]1C[N@H+](CCc2ccccc2F)CCO1 ZINC000639838235 356828773 /nfs/dbraw/zinc/82/87/73/356828773.db2.gz PAMFCLPDTILFHX-ZDUSSCGKSA-N 1 2 239.290 1.673 20 0 BDADLO CO[C@@H]1C[N@@H+](CCc2ccccc2F)CCO1 ZINC000639838235 356828777 /nfs/dbraw/zinc/82/87/77/356828777.db2.gz PAMFCLPDTILFHX-ZDUSSCGKSA-N 1 2 239.290 1.673 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2ccns2)n1 ZINC000639809441 356783744 /nfs/dbraw/zinc/78/37/44/356783744.db2.gz UBALZVBFMZFIMX-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2ccns2)n1 ZINC000639809441 356783748 /nfs/dbraw/zinc/78/37/48/356783748.db2.gz UBALZVBFMZFIMX-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC(C)C ZINC000356037746 356785310 /nfs/dbraw/zinc/78/53/10/356785310.db2.gz RAMKUXSMDUTDMI-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC(C)C ZINC000356037746 356785312 /nfs/dbraw/zinc/78/53/12/356785312.db2.gz RAMKUXSMDUTDMI-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccoc1 ZINC000352178233 538719218 /nfs/dbraw/zinc/71/92/18/538719218.db2.gz LBEWZTJBKKDZCB-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccoc1 ZINC000352178233 538719225 /nfs/dbraw/zinc/71/92/25/538719225.db2.gz LBEWZTJBKKDZCB-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cc1cc(N2CCOCCN2)[nH+]c(C(C)C)n1 ZINC000450521242 202189132 /nfs/dbraw/zinc/18/91/32/202189132.db2.gz SSTOXMCOSAKOTF-UHFFFAOYSA-N 1 2 236.319 1.250 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1ncnn1C ZINC000361134367 356918115 /nfs/dbraw/zinc/91/81/15/356918115.db2.gz FDPLSPLKXWOGKN-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCCC(=O)CC ZINC000450561770 202199978 /nfs/dbraw/zinc/19/99/78/202199978.db2.gz VCSKBRDFIMZJKJ-SNVBAGLBSA-N 1 2 229.320 1.629 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCCC(=O)CC ZINC000450561770 202199983 /nfs/dbraw/zinc/19/99/83/202199983.db2.gz VCSKBRDFIMZJKJ-SNVBAGLBSA-N 1 2 229.320 1.629 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000359657026 356892923 /nfs/dbraw/zinc/89/29/23/356892923.db2.gz ZAPMBDQXNJIDSK-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000359657026 356892925 /nfs/dbraw/zinc/89/29/25/356892925.db2.gz ZAPMBDQXNJIDSK-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ncc[nH]1 ZINC000353450639 538743166 /nfs/dbraw/zinc/74/31/66/538743166.db2.gz UUKYGRNIJHOHIK-SNVBAGLBSA-N 1 2 245.330 1.722 20 0 BDADLO CCc1nnc([C@@H](C)N[C@H](C)c2[nH]cc[nH+]2)[nH]1 ZINC000353626832 538753150 /nfs/dbraw/zinc/75/31/50/538753150.db2.gz YUGFTKJJDCUECO-HTQZYQBOSA-N 1 2 234.307 1.502 20 0 BDADLO CNc1nc(N2CC[C@H](F)C2)[nH+]c2ccccc21 ZINC000450607763 202211311 /nfs/dbraw/zinc/21/13/11/202211311.db2.gz YDGSQFMUNGTTHV-VIFPVBQESA-N 1 2 246.289 1.642 20 0 BDADLO Cc1cc(NCC2=CCOCC2)nc(C2CC2)[nH+]1 ZINC000450617288 202212563 /nfs/dbraw/zinc/21/25/63/202212563.db2.gz GGOCHRFQSQZELF-UHFFFAOYSA-N 1 2 245.326 1.843 20 0 BDADLO Cc1cc(NC(=O)N(C2CC2)C2CC2)cc[nH+]1 ZINC000626468312 357004801 /nfs/dbraw/zinc/00/48/01/357004801.db2.gz YTUCNRYCIGAJBL-UHFFFAOYSA-N 1 2 231.299 1.971 20 0 BDADLO CCC(CC)CC(=O)NCc1c[nH+]cn1C ZINC000355268001 538790156 /nfs/dbraw/zinc/79/01/56/538790156.db2.gz PBAMGSUNVKZTPJ-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO C[C@H](Cc1ccsc1)[NH2+]CC(F)(F)CO ZINC000389889625 357061947 /nfs/dbraw/zinc/06/19/47/357061947.db2.gz UWZXPDINAWOWIA-MRVPVSSYSA-N 1 2 235.299 1.896 20 0 BDADLO CC[C@H](O)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000354683820 538780608 /nfs/dbraw/zinc/78/06/08/538780608.db2.gz FPNULLBMQMUYFU-NSHDSACASA-N 1 2 239.319 1.010 20 0 BDADLO CC[C@H](O)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000354683820 538780614 /nfs/dbraw/zinc/78/06/14/538780614.db2.gz FPNULLBMQMUYFU-NSHDSACASA-N 1 2 239.319 1.010 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2CCCOC2)[nH+]1 ZINC000390211408 357086478 /nfs/dbraw/zinc/08/64/78/357086478.db2.gz VLLHABVULBVXMV-VIFPVBQESA-N 1 2 239.344 1.716 20 0 BDADLO Cc1ocnc1CNc1nc(C)[nH+]cc1C ZINC000582371098 357113932 /nfs/dbraw/zinc/11/39/32/357113932.db2.gz LSWPSSDQCJNTIM-UHFFFAOYSA-N 1 2 218.260 1.424 20 0 BDADLO Cc1noc(C)c1C[NH+]1CC(C(F)F)C1 ZINC000585383129 538799668 /nfs/dbraw/zinc/79/96/68/538799668.db2.gz UPMPWJLJVWMUSM-UHFFFAOYSA-N 1 2 216.231 1.988 20 0 BDADLO Cc1ccc(CCNc2nncs2)c[nH+]1 ZINC000000040125 357144209 /nfs/dbraw/zinc/14/42/09/357144209.db2.gz IBEFKPXPPXIITQ-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO CCN(CCC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000356048140 538806243 /nfs/dbraw/zinc/80/62/43/538806243.db2.gz VEYDVFDQMSDVOP-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCN(CCC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000356048140 538806248 /nfs/dbraw/zinc/80/62/48/538806248.db2.gz VEYDVFDQMSDVOP-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCC(F)(F)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000639892909 357223485 /nfs/dbraw/zinc/22/34/85/357223485.db2.gz BBEDPXXWCXBPSJ-DTORHVGOSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000639892909 357223489 /nfs/dbraw/zinc/22/34/89/357223489.db2.gz BBEDPXXWCXBPSJ-DTORHVGOSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)COCCC(=O)NCc1c[nH+]cn1C ZINC000356774717 538816284 /nfs/dbraw/zinc/81/62/84/538816284.db2.gz ZJXIZSDTZMQDHU-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO CC1(C)CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000377348891 357231970 /nfs/dbraw/zinc/23/19/70/357231970.db2.gz YIOKDSXAOSKDTQ-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO CO[C@H]1CCN(c2nc(C)[nH+]cc2C)C[C@@H]1C ZINC000583703868 357283341 /nfs/dbraw/zinc/28/33/41/357283341.db2.gz MOOSYHBHGVCASH-JQWIXIFHSA-N 1 2 235.331 1.955 20 0 BDADLO Cc1cc(NC(=O)N2CCn3ccnc32)cc[nH+]1 ZINC000639901642 357302248 /nfs/dbraw/zinc/30/22/48/357302248.db2.gz ZBBJIXWEOOCDOE-UHFFFAOYSA-N 1 2 243.270 1.061 20 0 BDADLO FCC[C@H]1C[N@H+](CCc2cnccn2)CCO1 ZINC000639894908 357259081 /nfs/dbraw/zinc/25/90/81/357259081.db2.gz VEXRQAVGAGKUOW-LBPRGKRZSA-N 1 2 239.294 1.080 20 0 BDADLO FCC[C@H]1C[N@@H+](CCc2cnccn2)CCO1 ZINC000639894908 357259083 /nfs/dbraw/zinc/25/90/83/357259083.db2.gz VEXRQAVGAGKUOW-LBPRGKRZSA-N 1 2 239.294 1.080 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc([C@@H]3C[C@H]3C)no2)C1 ZINC000582716473 357369660 /nfs/dbraw/zinc/36/96/60/357369660.db2.gz ORKYXSFDENWJRU-BBBLOLIVSA-N 1 2 237.303 1.586 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc([C@@H]3C[C@H]3C)no2)C1 ZINC000582716473 357369664 /nfs/dbraw/zinc/36/96/64/357369664.db2.gz ORKYXSFDENWJRU-BBBLOLIVSA-N 1 2 237.303 1.586 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(O)cc1 ZINC000357375059 538827709 /nfs/dbraw/zinc/82/77/09/538827709.db2.gz AVDRPVMGAICDBD-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(O)cc1 ZINC000357375059 538827717 /nfs/dbraw/zinc/82/77/17/538827717.db2.gz AVDRPVMGAICDBD-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO C[C@@H](NC(=O)CCOCC1CC1)c1[nH]cc[nH+]1 ZINC000582616735 357354313 /nfs/dbraw/zinc/35/43/13/357354313.db2.gz QARWIUVCHIRVOU-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO CCN(CC)C(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102409012 357388655 /nfs/dbraw/zinc/38/86/55/357388655.db2.gz WGJAFSFNYYUTIY-UHFFFAOYSA-N 1 2 238.331 1.970 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102409012 357388657 /nfs/dbraw/zinc/38/86/57/357388657.db2.gz WGJAFSFNYYUTIY-UHFFFAOYSA-N 1 2 238.331 1.970 20 0 BDADLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000014193871 538838920 /nfs/dbraw/zinc/83/89/20/538838920.db2.gz BJEFQLXLMPOQNP-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1nncs1 ZINC000014193871 538838924 /nfs/dbraw/zinc/83/89/24/538838924.db2.gz BJEFQLXLMPOQNP-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CCc1nnc([C@@H](C)NCc2[nH]c(C)c(C)[nH+]2)[nH]1 ZINC000582916149 357436515 /nfs/dbraw/zinc/43/65/15/357436515.db2.gz SHRNSWNUYIVAEN-SECBINFHSA-N 1 2 248.334 1.558 20 0 BDADLO COCc1ccccc1NC(=O)Cn1cc[nH+]c1 ZINC000583177532 357503255 /nfs/dbraw/zinc/50/32/55/357503255.db2.gz CUTTYNQBMRRPBA-UHFFFAOYSA-N 1 2 245.282 1.668 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102519636 357477539 /nfs/dbraw/zinc/47/75/39/357477539.db2.gz OKMFIKGZNNPUTI-UHFFFAOYSA-N 1 2 210.277 1.238 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102519636 357477542 /nfs/dbraw/zinc/47/75/42/357477542.db2.gz OKMFIKGZNNPUTI-UHFFFAOYSA-N 1 2 210.277 1.238 20 0 BDADLO COC1CC([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000230696840 357568289 /nfs/dbraw/zinc/56/82/89/357568289.db2.gz YTPJWZHZKGUSOJ-XNWIYYODSA-N 1 2 229.320 1.484 20 0 BDADLO CCc1coc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000583213502 357558589 /nfs/dbraw/zinc/55/85/89/357558589.db2.gz IXSGIWUNLJKPEG-UHFFFAOYSA-N 1 2 234.259 1.531 20 0 BDADLO COC[C@@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000583215082 357564983 /nfs/dbraw/zinc/56/49/83/357564983.db2.gz YMVVNEPZMPYMCZ-ZDUSSCGKSA-N 1 2 235.331 1.956 20 0 BDADLO CCc1nn(C)cc1NCc1c[nH+]cn1CC ZINC000231080900 357589536 /nfs/dbraw/zinc/58/95/36/357589536.db2.gz AZBXILRDJFASJF-UHFFFAOYSA-N 1 2 233.319 1.811 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000231777404 357628954 /nfs/dbraw/zinc/62/89/54/357628954.db2.gz GZWCVDDQQWTKLD-UHFFFAOYSA-N 1 2 240.253 1.885 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1 ZINC000231127605 357606329 /nfs/dbraw/zinc/60/63/29/357606329.db2.gz YSBUWUPVNJXDPE-UHFFFAOYSA-N 1 2 215.256 1.981 20 0 BDADLO Cc1cc(N[C@H]2CNC(=O)C2)nc(C(C)C)[nH+]1 ZINC000232180622 357652853 /nfs/dbraw/zinc/65/28/53/357652853.db2.gz SOHCQADSOYKJRD-SECBINFHSA-N 1 2 234.303 1.209 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cncc(C)c2)CCO1 ZINC000189899385 357668167 /nfs/dbraw/zinc/66/81/67/357668167.db2.gz IEEIOTFUMHOCJN-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cncc(C)c2)CCO1 ZINC000189899385 357668171 /nfs/dbraw/zinc/66/81/71/357668171.db2.gz IEEIOTFUMHOCJN-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO CCOC[C@@H]([NH2+][C@H](C(=O)OC)C(C)C)C(C)C ZINC000189815007 357673666 /nfs/dbraw/zinc/67/36/66/357673666.db2.gz MZKHBUWMIYOJIF-NEPJUHHUSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1CO ZINC000190837883 357726762 /nfs/dbraw/zinc/72/67/62/357726762.db2.gz IGITULMSSUKZHB-SCZZXKLOSA-N 1 2 237.303 1.007 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1CO ZINC000190837883 357726765 /nfs/dbraw/zinc/72/67/65/357726765.db2.gz IGITULMSSUKZHB-SCZZXKLOSA-N 1 2 237.303 1.007 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000233697836 357732583 /nfs/dbraw/zinc/73/25/83/357732583.db2.gz NLZAHBYBXYNXTO-QJPTWQEYSA-N 1 2 241.331 1.485 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CS[C@@H](C)C1 ZINC000397865006 357756178 /nfs/dbraw/zinc/75/61/78/357756178.db2.gz QCRIUTWFKCEBRI-NKWVEPMBSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CS[C@@H](C)C1 ZINC000397865006 357756180 /nfs/dbraw/zinc/75/61/80/357756180.db2.gz QCRIUTWFKCEBRI-NKWVEPMBSA-N 1 2 240.332 1.373 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ncccn1 ZINC000192174647 357825149 /nfs/dbraw/zinc/82/51/49/357825149.db2.gz SGPCVBXKQSJMGO-SNVBAGLBSA-N 1 2 237.303 1.250 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ncccn1 ZINC000192174647 357825152 /nfs/dbraw/zinc/82/51/52/357825152.db2.gz SGPCVBXKQSJMGO-SNVBAGLBSA-N 1 2 237.303 1.250 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](C)C[C@H](C)O ZINC000397882763 357781578 /nfs/dbraw/zinc/78/15/78/357781578.db2.gz ORJBAPJEHGUUKE-ZJUUUORDSA-N 1 2 224.304 1.909 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)OC(C)(C)C ZINC000235437583 357868890 /nfs/dbraw/zinc/86/88/90/357868890.db2.gz ODGHUIWJIKUYNA-JOYOIKCWSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccnc2OC)CCO1 ZINC000193306613 357873953 /nfs/dbraw/zinc/87/39/53/357873953.db2.gz SDNHAQYORIIRBY-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccnc2OC)CCO1 ZINC000193306613 357873957 /nfs/dbraw/zinc/87/39/57/357873957.db2.gz SDNHAQYORIIRBY-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)[C@H](C)O ZINC000235571747 357880316 /nfs/dbraw/zinc/88/03/16/357880316.db2.gz FTWOGYKAONTCOT-NKWVEPMBSA-N 1 2 238.316 1.225 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](C)C[C@H](CO)C1 ZINC000398705781 357889671 /nfs/dbraw/zinc/88/96/71/357889671.db2.gz LJBWEKXDNCOSBR-MNOVXSKESA-N 1 2 236.315 1.545 20 0 BDADLO Cc1nc(C[NH2+][C@]2(C)CCO[C@@H]2C)no1 ZINC000235612802 357925749 /nfs/dbraw/zinc/92/57/49/357925749.db2.gz QTTNXHIFZJVEHD-GMSGAONNSA-N 1 2 211.265 1.035 20 0 BDADLO CN(CC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC000073566278 357919146 /nfs/dbraw/zinc/91/91/46/357919146.db2.gz NCOQUHJFMHBFQV-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ncccc2O)n1 ZINC000583839728 357969307 /nfs/dbraw/zinc/96/93/07/357969307.db2.gz UZOFFMTXUNRMKI-SSDOTTSWSA-N 1 2 234.259 1.329 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCCO1)C(C)C ZINC000035151185 357971115 /nfs/dbraw/zinc/97/11/15/357971115.db2.gz QPAMRGWUOZGHQU-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO COC[C@](C)(CO)[NH2+]Cc1ncc(C2CC2)o1 ZINC000639957929 357982191 /nfs/dbraw/zinc/98/21/91/357982191.db2.gz WPKZOIPRDFOPHO-LBPRGKRZSA-N 1 2 240.303 1.039 20 0 BDADLO CSCC[N@H+](C)Cc1nnc2ccccn21 ZINC000610571750 357999504 /nfs/dbraw/zinc/99/95/04/357999504.db2.gz HEOMNUVQSGFARS-UHFFFAOYSA-N 1 2 236.344 1.524 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000610571750 357999505 /nfs/dbraw/zinc/99/95/05/357999505.db2.gz HEOMNUVQSGFARS-UHFFFAOYSA-N 1 2 236.344 1.524 20 0 BDADLO Cn1cc(NCc2c[nH+]c3ccccn23)cn1 ZINC000237697692 358003799 /nfs/dbraw/zinc/00/37/99/358003799.db2.gz VGCVXGUBMUHFPW-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO COC(=O)C1(CNc2cc(C)[nH+]cn2)CCCC1 ZINC000610587829 358004930 /nfs/dbraw/zinc/00/49/30/358004930.db2.gz GCMVWUKVIJIPGP-UHFFFAOYSA-N 1 2 249.314 1.352 20 0 BDADLO COc1ncccc1C[N@H+](C)Cc1c[nH]nc1C ZINC000639971203 358021000 /nfs/dbraw/zinc/02/10/00/358021000.db2.gz OOFUSRBEIBGDJB-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1ncccc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000639971203 358021001 /nfs/dbraw/zinc/02/10/01/358021001.db2.gz OOFUSRBEIBGDJB-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)c1cnccn1 ZINC000639970366 358022393 /nfs/dbraw/zinc/02/23/93/358022393.db2.gz FDCBWZBSLBNTPE-SNVBAGLBSA-N 1 2 231.303 1.701 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)c1cnccn1 ZINC000639970366 358022396 /nfs/dbraw/zinc/02/23/96/358022396.db2.gz FDCBWZBSLBNTPE-SNVBAGLBSA-N 1 2 231.303 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000639970958 358023951 /nfs/dbraw/zinc/02/39/51/358023951.db2.gz LZDMAIDENGSAEU-JOYOIKCWSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000639970958 358023953 /nfs/dbraw/zinc/02/39/53/358023953.db2.gz LZDMAIDENGSAEU-JOYOIKCWSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1cncs1 ZINC000639971610 358030048 /nfs/dbraw/zinc/03/00/48/358030048.db2.gz SNUYRRURSFTEPD-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cncs1 ZINC000639971610 358030051 /nfs/dbraw/zinc/03/00/51/358030051.db2.gz SNUYRRURSFTEPD-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)C)no1)C[C@@H](C)O ZINC000352220665 535389579 /nfs/dbraw/zinc/38/95/79/535389579.db2.gz IXEZRJHPHXHXHA-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@H+](Cc1nc(C(C)C)no1)C[C@@H](C)O ZINC000352220665 535389582 /nfs/dbraw/zinc/38/95/82/535389582.db2.gz IXEZRJHPHXHXHA-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO Cc1cc(N2CCC[C@@H](CCO)C2)nc[nH+]1 ZINC000051895275 358091277 /nfs/dbraw/zinc/09/12/77/358091277.db2.gz YVMOUPKZZVKCBF-NSHDSACASA-N 1 2 221.304 1.384 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](CCF)C2)[nH+]1 ZINC000628459591 358094645 /nfs/dbraw/zinc/09/46/45/358094645.db2.gz VBNCNNPDKCGBCW-JTQLQIEISA-N 1 2 227.283 1.279 20 0 BDADLO c1snnc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000628463222 358118142 /nfs/dbraw/zinc/11/81/42/358118142.db2.gz WOBYWANWPPPNPE-WCBMZHEXSA-N 1 2 225.317 1.195 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000674231395 487527698 /nfs/dbraw/zinc/52/76/98/487527698.db2.gz WDXBJKIBRAWSOZ-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO CC(C)(O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000674231395 487527700 /nfs/dbraw/zinc/52/77/00/487527700.db2.gz WDXBJKIBRAWSOZ-MRVPVSSYSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C)(F)CC2)n1C ZINC000640070638 358157588 /nfs/dbraw/zinc/15/75/88/358157588.db2.gz LRUSSEGIORDQDT-UHFFFAOYSA-N 1 2 226.299 1.448 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000584738337 358165061 /nfs/dbraw/zinc/16/50/61/358165061.db2.gz CYDUMTZWHLKQPL-YUMQZZPRSA-N 1 2 246.261 1.190 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000584738337 358165065 /nfs/dbraw/zinc/16/50/65/358165065.db2.gz CYDUMTZWHLKQPL-YUMQZZPRSA-N 1 2 246.261 1.190 20 0 BDADLO CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)OC ZINC000584784138 358177397 /nfs/dbraw/zinc/17/73/97/358177397.db2.gz MAGNTRZKRCFUNK-QWRGUYRKSA-N 1 2 239.319 1.375 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@]2(C)CO)[nH]1 ZINC000584816211 358186702 /nfs/dbraw/zinc/18/67/02/358186702.db2.gz KXEXZGSRPIGAHI-LBPRGKRZSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@]2(C)CO)[nH]1 ZINC000584816211 358186704 /nfs/dbraw/zinc/18/67/04/358186704.db2.gz KXEXZGSRPIGAHI-LBPRGKRZSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000450634872 202219621 /nfs/dbraw/zinc/21/96/21/202219621.db2.gz IFHRIMLKMGNNQJ-DTWKUNHWSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000450634872 202219623 /nfs/dbraw/zinc/21/96/23/202219623.db2.gz IFHRIMLKMGNNQJ-DTWKUNHWSA-N 1 2 241.360 1.617 20 0 BDADLO FC(F)C[N@H+](CC1CCC1)C[C@@H]1COCCO1 ZINC000450638519 202219688 /nfs/dbraw/zinc/21/96/88/202219688.db2.gz SSUGQSLMWCXEAW-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO FC(F)C[N@@H+](CC1CCC1)C[C@@H]1COCCO1 ZINC000450638519 202219691 /nfs/dbraw/zinc/21/96/91/202219691.db2.gz SSUGQSLMWCXEAW-LLVKDONJSA-N 1 2 249.301 1.769 20 0 BDADLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCF)CCO1 ZINC000610821151 358200541 /nfs/dbraw/zinc/20/05/41/358200541.db2.gz OSHPXEJMPRNNIF-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCF)CCO1 ZINC000610821151 358200542 /nfs/dbraw/zinc/20/05/42/358200542.db2.gz OSHPXEJMPRNNIF-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO C[C@H]1C[C@H](c2noc(Cn3cc[nH+]c3)n2)CCO1 ZINC000584872942 358207929 /nfs/dbraw/zinc/20/79/29/358207929.db2.gz GVIHLBHVQVLNHW-VHSXEESVSA-N 1 2 248.286 1.597 20 0 BDADLO CCc1cc(N2CCC[C@@H]2CC(=O)OC)nc[nH+]1 ZINC000610930290 358245811 /nfs/dbraw/zinc/24/58/11/358245811.db2.gz SMZOKPSWPFFECF-LLVKDONJSA-N 1 2 249.314 1.571 20 0 BDADLO C[C@H](CO)[C@H](C)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000450733341 202250108 /nfs/dbraw/zinc/25/01/08/202250108.db2.gz OZYUAZHWEGMDDJ-BDAKNGLRSA-N 1 2 241.335 1.474 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000450709128 202240689 /nfs/dbraw/zinc/24/06/89/202240689.db2.gz AVIKMGXXDMXSFX-GHMZBOCLSA-N 1 2 235.331 1.950 20 0 BDADLO Cc1cc(NC[C@@H]2CCOC3(CCC3)C2)nc[nH+]1 ZINC000450713405 202241782 /nfs/dbraw/zinc/24/17/82/202241782.db2.gz GIQKNCZDFNLDFK-GFCCVEGCSA-N 1 2 247.342 1.968 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242520 358343630 /nfs/dbraw/zinc/34/36/30/358343630.db2.gz HCISLGJIMAANQA-NNYUYHANSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242520 358343631 /nfs/dbraw/zinc/34/36/31/358343631.db2.gz HCISLGJIMAANQA-NNYUYHANSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C(=O)[O-])C1 ZINC000229308877 358401303 /nfs/dbraw/zinc/40/13/03/358401303.db2.gz ZRUMYYUVBPKVTJ-WDEREUQCSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C(=O)[O-])C1 ZINC000229308877 358401307 /nfs/dbraw/zinc/40/13/07/358401307.db2.gz ZRUMYYUVBPKVTJ-WDEREUQCSA-N 1 2 237.303 1.068 20 0 BDADLO O=C(/C=C\c1ccc(O)cc1)NCc1[nH]cc[nH+]1 ZINC000211338001 358446330 /nfs/dbraw/zinc/44/63/30/358446330.db2.gz KLGHQBWVZVGQKX-UTCJRWHESA-N 1 2 243.266 1.445 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000042287042 358520543 /nfs/dbraw/zinc/52/05/43/358520543.db2.gz XXAOFAGHTJYNHP-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000042287042 358520546 /nfs/dbraw/zinc/52/05/46/358520546.db2.gz XXAOFAGHTJYNHP-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nc(N2CC(O)(C3CC3)C2)cc(C)[nH+]1 ZINC000302502954 358436450 /nfs/dbraw/zinc/43/64/50/358436450.db2.gz LOHSGNIKWZPOJS-UHFFFAOYSA-N 1 2 233.315 1.309 20 0 BDADLO Cc1ccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)o1 ZINC000351219614 366453914 /nfs/dbraw/zinc/45/39/14/366453914.db2.gz KTDVJZNGSJMVBL-JTQLQIEISA-N 1 2 249.270 1.641 20 0 BDADLO Cc1ccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)o1 ZINC000351219614 366453917 /nfs/dbraw/zinc/45/39/17/366453917.db2.gz KTDVJZNGSJMVBL-JTQLQIEISA-N 1 2 249.270 1.641 20 0 BDADLO CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044881184 358556714 /nfs/dbraw/zinc/55/67/14/358556714.db2.gz FMDKKIKRETVJTF-UHFFFAOYSA-N 1 2 229.283 1.681 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130121731 358610265 /nfs/dbraw/zinc/61/02/65/358610265.db2.gz NQOKUFUSOINYTO-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO CCCc1noc(C[N@@H+]2CCCC[C@H]2CO)n1 ZINC000048065571 358613090 /nfs/dbraw/zinc/61/30/90/358613090.db2.gz GODCDNWVKRXUEX-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@H+]2CCCC[C@H]2CO)n1 ZINC000048065571 358613092 /nfs/dbraw/zinc/61/30/92/358613092.db2.gz GODCDNWVKRXUEX-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000130261475 358615319 /nfs/dbraw/zinc/61/53/19/358615319.db2.gz NZBDOULNJHCDJW-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000130261475 358615322 /nfs/dbraw/zinc/61/53/22/358615322.db2.gz NZBDOULNJHCDJW-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000130677125 358639320 /nfs/dbraw/zinc/63/93/20/358639320.db2.gz LDXIJRAXIZBQBZ-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000130677125 358639325 /nfs/dbraw/zinc/63/93/25/358639325.db2.gz LDXIJRAXIZBQBZ-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000048579664 358641708 /nfs/dbraw/zinc/64/17/08/358641708.db2.gz BFGDUWOGXZFDNX-NSHDSACASA-N 1 2 238.718 1.962 20 0 BDADLO NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000048579664 358641710 /nfs/dbraw/zinc/64/17/10/358641710.db2.gz BFGDUWOGXZFDNX-NSHDSACASA-N 1 2 238.718 1.962 20 0 BDADLO CCCC[N@H+](CCO)Cc1noc(C(C)C)n1 ZINC000048738991 358652092 /nfs/dbraw/zinc/65/20/92/358652092.db2.gz IFWANXYHLOKJDN-UHFFFAOYSA-N 1 2 241.335 1.787 20 0 BDADLO CCCC[N@@H+](CCO)Cc1noc(C(C)C)n1 ZINC000048738991 358652094 /nfs/dbraw/zinc/65/20/94/358652094.db2.gz IFWANXYHLOKJDN-UHFFFAOYSA-N 1 2 241.335 1.787 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)c3cn[nH]n3)cc2[nH+]1 ZINC000048890204 358657886 /nfs/dbraw/zinc/65/78/86/358657886.db2.gz DNIDBQYTRLJQRS-UHFFFAOYSA-N 1 2 242.242 1.242 20 0 BDADLO CC(C)CCc1noc(C[N@H+](C)C[C@H](C)O)n1 ZINC000131225987 358666295 /nfs/dbraw/zinc/66/62/95/358666295.db2.gz WVCFBKQNBOVCCN-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)CCc1noc(C[N@@H+](C)C[C@H](C)O)n1 ZINC000131225987 358666298 /nfs/dbraw/zinc/66/62/98/358666298.db2.gz WVCFBKQNBOVCCN-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000133155694 358747318 /nfs/dbraw/zinc/74/73/18/358747318.db2.gz MUWKDPOHKWXXJL-NXEZZACHSA-N 1 2 249.314 1.511 20 0 BDADLO OC[C@@H]1C[C@@H](O)CN1c1cc2ccccc2c[nH+]1 ZINC000631185150 358747549 /nfs/dbraw/zinc/74/75/49/358747549.db2.gz BELFOCIYFLJHQX-QWHCGFSZSA-N 1 2 244.294 1.167 20 0 BDADLO C[NH2+]Cc1noc(CCCc2ccccc2)n1 ZINC000051848750 358765309 /nfs/dbraw/zinc/76/53/09/358765309.db2.gz UMVLKMPBWHGSPN-UHFFFAOYSA-N 1 2 231.299 1.964 20 0 BDADLO CCOC(=O)CCCC[N@H+](C)CC(F)F ZINC000132920007 358739560 /nfs/dbraw/zinc/73/95/60/358739560.db2.gz GLUTWJLJJYUGCN-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CCOC(=O)CCCC[N@@H+](C)CC(F)F ZINC000132920007 358739562 /nfs/dbraw/zinc/73/95/62/358739562.db2.gz GLUTWJLJJYUGCN-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000261593359 535436517 /nfs/dbraw/zinc/43/65/17/535436517.db2.gz WRYMWFHZSLXDRP-SECBINFHSA-N 1 2 241.360 1.726 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000261593359 535436518 /nfs/dbraw/zinc/43/65/18/535436518.db2.gz WRYMWFHZSLXDRP-SECBINFHSA-N 1 2 241.360 1.726 20 0 BDADLO CCCN(CC(=O)OC)Cc1[nH+]ccn1CC ZINC000054743883 358872304 /nfs/dbraw/zinc/87/23/04/358872304.db2.gz JSEYHIZBPHEWAW-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO CCCCc1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000135411194 358836932 /nfs/dbraw/zinc/83/69/32/358836932.db2.gz LKZZOZIMCWMILL-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000135411194 358836934 /nfs/dbraw/zinc/83/69/34/358836934.db2.gz LKZZOZIMCWMILL-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC2(CC2)C1 ZINC000564099246 358874218 /nfs/dbraw/zinc/87/42/18/358874218.db2.gz HJWDQZKZANEJEE-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC2(CC2)C1 ZINC000564099246 358874222 /nfs/dbraw/zinc/87/42/22/358874222.db2.gz HJWDQZKZANEJEE-NSHDSACASA-N 1 2 247.342 1.991 20 0 BDADLO FC(F)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219081 358884287 /nfs/dbraw/zinc/88/42/87/358884287.db2.gz YYHWGKVMZNIUTH-ZETCQYMHSA-N 1 2 201.220 1.573 20 0 BDADLO CC[C@@H](NC(=O)CC[C@H](C)OC)c1[nH]cc[nH+]1 ZINC000140647059 358923952 /nfs/dbraw/zinc/92/39/52/358923952.db2.gz OVOQZHVWKHKDOG-VHSXEESVSA-N 1 2 239.319 1.792 20 0 BDADLO CC[C@H](NC(=O)c1cnccn1)c1[nH]cc[nH+]1 ZINC000140701635 358925253 /nfs/dbraw/zinc/92/52/53/358925253.db2.gz ROWMKKRTLOGQMQ-QMMMGPOBSA-N 1 2 231.259 1.081 20 0 BDADLO CCCCNC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000640231665 358948023 /nfs/dbraw/zinc/94/80/23/358948023.db2.gz RWUGVCUSKBDHGO-UHFFFAOYSA-N 1 2 240.347 1.851 20 0 BDADLO CCCCNC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000640231665 358948026 /nfs/dbraw/zinc/94/80/26/358948026.db2.gz RWUGVCUSKBDHGO-UHFFFAOYSA-N 1 2 240.347 1.851 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000177703184 134301938 /nfs/dbraw/zinc/30/19/38/134301938.db2.gz XAEUPAGUUAQKJH-GFCCVEGCSA-N 1 2 243.253 1.330 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000177703184 134301939 /nfs/dbraw/zinc/30/19/39/134301939.db2.gz XAEUPAGUUAQKJH-GFCCVEGCSA-N 1 2 243.253 1.330 20 0 BDADLO CCOCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000070263895 359047709 /nfs/dbraw/zinc/04/77/09/359047709.db2.gz FOASIEIPNBOSJE-UHFFFAOYSA-N 1 2 245.282 1.847 20 0 BDADLO Cn1cc(N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000071711504 359080873 /nfs/dbraw/zinc/08/08/73/359080873.db2.gz DVJKMLBMTQKOGR-UHFFFAOYSA-N 1 2 243.314 1.142 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247020583 359184263 /nfs/dbraw/zinc/18/42/63/359184263.db2.gz SNDUTXLSCSIHMX-ZYHUDNBSSA-N 1 2 225.288 1.688 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000247020583 359184268 /nfs/dbraw/zinc/18/42/68/359184268.db2.gz SNDUTXLSCSIHMX-ZYHUDNBSSA-N 1 2 225.288 1.688 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000246541507 359145417 /nfs/dbraw/zinc/14/54/17/359145417.db2.gz CRUXHNMDDWLEPK-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000246541507 359145422 /nfs/dbraw/zinc/14/54/22/359145422.db2.gz CRUXHNMDDWLEPK-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)no1 ZINC000246574248 359147527 /nfs/dbraw/zinc/14/75/27/359147527.db2.gz HUGUREYWBUWFMJ-WDEREUQCSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)no1 ZINC000246574248 359147534 /nfs/dbraw/zinc/14/75/34/359147534.db2.gz HUGUREYWBUWFMJ-WDEREUQCSA-N 1 2 237.303 1.379 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000248168989 359258207 /nfs/dbraw/zinc/25/82/07/359258207.db2.gz UIGSOVHLPRMNBH-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000248168989 359258209 /nfs/dbraw/zinc/25/82/09/359258209.db2.gz UIGSOVHLPRMNBH-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000292979710 359374418 /nfs/dbraw/zinc/37/44/18/359374418.db2.gz MYHXHWWMFABUBX-LBPRGKRZSA-N 1 2 223.320 1.441 20 0 BDADLO COc1ccc(N[C@H](C)[C@@H](C)OC)[nH+]c1 ZINC000308941944 491140759 /nfs/dbraw/zinc/14/07/59/491140759.db2.gz MNRKGCZIVQDGDR-RKDXNWHRSA-N 1 2 210.277 1.926 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC(F)F ZINC000308954212 491141101 /nfs/dbraw/zinc/14/11/01/491141101.db2.gz PZNHRBAIUQPQEA-UHFFFAOYSA-N 1 2 213.191 1.133 20 0 BDADLO CC[C@@]1(Nc2cc[nH+]c(C)n2)CCOC1 ZINC000308967884 491141181 /nfs/dbraw/zinc/14/11/81/491141181.db2.gz XCIJOVPIMDYOIB-LLVKDONJSA-N 1 2 207.277 1.766 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000279767862 359528566 /nfs/dbraw/zinc/52/85/66/359528566.db2.gz MWJBWCKBOFQJCX-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000279767862 359528572 /nfs/dbraw/zinc/52/85/72/359528572.db2.gz MWJBWCKBOFQJCX-MRVPVSSYSA-N 1 2 246.763 1.999 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000574992627 359531216 /nfs/dbraw/zinc/53/12/16/359531216.db2.gz RSHTVJMEWYFOJT-UWVGGRQHSA-N 1 2 229.320 1.079 20 0 BDADLO CCc1nc(N[C@H](C)c2nc[nH]n2)cc(C)[nH+]1 ZINC000283771045 359532451 /nfs/dbraw/zinc/53/24/51/359532451.db2.gz OREXTAYLOXVZFH-MRVPVSSYSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1nc(N[C@H](C)c2nnc[nH]2)cc(C)[nH+]1 ZINC000283771045 359532458 /nfs/dbraw/zinc/53/24/58/359532458.db2.gz OREXTAYLOXVZFH-MRVPVSSYSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1cc(N[C@H](C)[C@H](C)OC)nc[nH+]1 ZINC000309051091 491143702 /nfs/dbraw/zinc/14/37/02/491143702.db2.gz RDZBLOZUSDVRMC-BDAKNGLRSA-N 1 2 209.293 1.874 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)[C@H](C)O ZINC000450801268 202269886 /nfs/dbraw/zinc/26/98/86/202269886.db2.gz RMTXEBNXZZBZED-ONGXEEELSA-N 1 2 235.331 1.656 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)[C@@H](C)O ZINC000450804246 202270932 /nfs/dbraw/zinc/27/09/32/202270932.db2.gz XWHILNYASPUMFE-NXEZZACHSA-N 1 2 223.320 1.593 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)[C@H](C)O ZINC000450801265 202271130 /nfs/dbraw/zinc/27/11/30/202271130.db2.gz RMTXEBNXZZBZED-GXSJLCMTSA-N 1 2 235.331 1.656 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000612185983 359730622 /nfs/dbraw/zinc/73/06/22/359730622.db2.gz BCSKVLYRFQTEOX-MNOVXSKESA-N 1 2 247.342 1.773 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000612185983 359730625 /nfs/dbraw/zinc/73/06/25/359730625.db2.gz BCSKVLYRFQTEOX-MNOVXSKESA-N 1 2 247.342 1.773 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000450905660 202304782 /nfs/dbraw/zinc/30/47/82/202304782.db2.gz HDFPBVZDWXPNEO-ZDUSSCGKSA-N 1 2 241.331 1.237 20 0 BDADLO CCC(=O)CCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000450905660 202304783 /nfs/dbraw/zinc/30/47/83/202304783.db2.gz HDFPBVZDWXPNEO-ZDUSSCGKSA-N 1 2 241.331 1.237 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000450941095 202317426 /nfs/dbraw/zinc/31/74/26/202317426.db2.gz MZDKPJMOIFEKGV-PRHODGIISA-N 1 2 235.331 1.609 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450990471 202329082 /nfs/dbraw/zinc/32/90/82/202329082.db2.gz ITYYWMFGHHNIDJ-JTQLQIEISA-N 1 2 238.335 1.155 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450990471 202329085 /nfs/dbraw/zinc/32/90/85/202329085.db2.gz ITYYWMFGHHNIDJ-JTQLQIEISA-N 1 2 238.335 1.155 20 0 BDADLO CCC(C)(C)CC[NH2+][C@](C)(COC)C(=O)OC ZINC000612452961 359856906 /nfs/dbraw/zinc/85/69/06/359856906.db2.gz RWXYPUONHASTCP-CYBMUJFWSA-N 1 2 245.363 1.980 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000451075116 202348218 /nfs/dbraw/zinc/34/82/18/202348218.db2.gz ZXTNYRNYEWERNJ-SFYZADRCSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1csc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000451075116 202348221 /nfs/dbraw/zinc/34/82/21/202348221.db2.gz ZXTNYRNYEWERNJ-SFYZADRCSA-N 1 2 240.328 1.770 20 0 BDADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451179413 202369819 /nfs/dbraw/zinc/36/98/19/202369819.db2.gz AOURHPJLMLNZOD-JTQLQIEISA-N 1 2 240.278 1.282 20 0 BDADLO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451179413 202369823 /nfs/dbraw/zinc/36/98/23/202369823.db2.gz AOURHPJLMLNZOD-JTQLQIEISA-N 1 2 240.278 1.282 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000451159793 202367785 /nfs/dbraw/zinc/36/77/85/202367785.db2.gz RUGKTQCSQUGYHK-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000451159793 202367786 /nfs/dbraw/zinc/36/77/86/202367786.db2.gz RUGKTQCSQUGYHK-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000451155699 202367910 /nfs/dbraw/zinc/36/79/10/202367910.db2.gz CBDOBUGMHONJCO-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000451155699 202367913 /nfs/dbraw/zinc/36/79/13/202367913.db2.gz CBDOBUGMHONJCO-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](F)C2)C1 ZINC000451180078 202369154 /nfs/dbraw/zinc/36/91/54/202369154.db2.gz BZBVECMQWNCPTI-TUAOUCFPSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@H](F)C2)C1 ZINC000451180078 202369157 /nfs/dbraw/zinc/36/91/57/202369157.db2.gz BZBVECMQWNCPTI-TUAOUCFPSA-N 1 2 242.338 1.535 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451121279 202356895 /nfs/dbraw/zinc/35/68/95/202356895.db2.gz QQQCZAJJFABOBN-UHFFFAOYSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451121279 202356896 /nfs/dbraw/zinc/35/68/96/202356896.db2.gz QQQCZAJJFABOBN-UHFFFAOYSA-N 1 2 242.363 1.400 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613916587 363686318 /nfs/dbraw/zinc/68/63/18/363686318.db2.gz WUTKSJBIZXJHLA-GHMZBOCLSA-N 1 2 233.315 1.606 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451120626 202358730 /nfs/dbraw/zinc/35/87/30/202358730.db2.gz KXQFBAXUPHWVKY-LBPRGKRZSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451120626 202358732 /nfs/dbraw/zinc/35/87/32/202358732.db2.gz KXQFBAXUPHWVKY-LBPRGKRZSA-N 1 2 230.327 1.727 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](F)C1 ZINC000451180068 202371173 /nfs/dbraw/zinc/37/11/73/202371173.db2.gz BXJZRFPCGZRTDG-RKDXNWHRSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](F)C1 ZINC000451180068 202371175 /nfs/dbraw/zinc/37/11/75/202371175.db2.gz BXJZRFPCGZRTDG-RKDXNWHRSA-N 1 2 203.257 1.372 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451188098 202372415 /nfs/dbraw/zinc/37/24/15/202372415.db2.gz NXDGWPBJTIZGHT-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451188098 202372418 /nfs/dbraw/zinc/37/24/18/202372418.db2.gz NXDGWPBJTIZGHT-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451188707 202373806 /nfs/dbraw/zinc/37/38/06/202373806.db2.gz OJJWUEOYYRDTMH-NXEZZACHSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451188707 202373809 /nfs/dbraw/zinc/37/38/09/202373809.db2.gz OJJWUEOYYRDTMH-NXEZZACHSA-N 1 2 230.327 1.724 20 0 BDADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](F)C1 ZINC000451193238 202375111 /nfs/dbraw/zinc/37/51/11/202375111.db2.gz UKCFMVAQUBWRLC-JTQLQIEISA-N 1 2 237.340 1.244 20 0 BDADLO CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](F)C1 ZINC000451193238 202375114 /nfs/dbraw/zinc/37/51/14/202375114.db2.gz UKCFMVAQUBWRLC-JTQLQIEISA-N 1 2 237.340 1.244 20 0 BDADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](F)C1 ZINC000451193248 202375478 /nfs/dbraw/zinc/37/54/78/202375478.db2.gz UKCFMVAQUBWRLC-SNVBAGLBSA-N 1 2 237.340 1.244 20 0 BDADLO CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](F)C1 ZINC000451193248 202375480 /nfs/dbraw/zinc/37/54/80/202375480.db2.gz UKCFMVAQUBWRLC-SNVBAGLBSA-N 1 2 237.340 1.244 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451195560 202375949 /nfs/dbraw/zinc/37/59/49/202375949.db2.gz XXWQVFYLROHMOM-UTUOFQBUSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451195560 202375951 /nfs/dbraw/zinc/37/59/51/202375951.db2.gz XXWQVFYLROHMOM-UTUOFQBUSA-N 1 2 242.338 1.725 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000451191804 202376457 /nfs/dbraw/zinc/37/64/57/202376457.db2.gz RTPHDWSYQDYTLO-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000451191804 202376460 /nfs/dbraw/zinc/37/64/60/202376460.db2.gz RTPHDWSYQDYTLO-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451193739 202376543 /nfs/dbraw/zinc/37/65/43/202376543.db2.gz VCLDKRTUJVWKRF-QWRGUYRKSA-N 1 2 230.327 1.725 20 0 BDADLO CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451193739 202376545 /nfs/dbraw/zinc/37/65/45/202376545.db2.gz VCLDKRTUJVWKRF-QWRGUYRKSA-N 1 2 230.327 1.725 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C)nc2C)no1 ZINC000087409594 359910844 /nfs/dbraw/zinc/91/08/44/359910844.db2.gz QYZCSMDUXBVSQT-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO CCc1nc(C[N@H+](C)CC(C)(C)CO)no1 ZINC000451242987 202384986 /nfs/dbraw/zinc/38/49/86/202384986.db2.gz ADJTVIYIHYAZIP-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO CCc1nc(C[N@@H+](C)CC(C)(C)CO)no1 ZINC000451242987 202384989 /nfs/dbraw/zinc/38/49/89/202384989.db2.gz ADJTVIYIHYAZIP-UHFFFAOYSA-N 1 2 227.308 1.082 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)CS1 ZINC000578641877 366616752 /nfs/dbraw/zinc/61/67/52/366616752.db2.gz NRTXJIHFLLPJML-VHSXEESVSA-N 1 2 242.388 1.338 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)CS1 ZINC000578641878 366616819 /nfs/dbraw/zinc/61/68/19/366616819.db2.gz NRTXJIHFLLPJML-ZJUUUORDSA-N 1 2 242.388 1.338 20 0 BDADLO CC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000087600954 359919844 /nfs/dbraw/zinc/91/98/44/359919844.db2.gz ZZRIQRRGQPTHHF-LLVKDONJSA-N 1 2 220.251 1.643 20 0 BDADLO CC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000087600954 359919847 /nfs/dbraw/zinc/91/98/47/359919847.db2.gz ZZRIQRRGQPTHHF-LLVKDONJSA-N 1 2 220.251 1.643 20 0 BDADLO CC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000087600954 359919852 /nfs/dbraw/zinc/91/98/52/359919852.db2.gz ZZRIQRRGQPTHHF-LLVKDONJSA-N 1 2 220.251 1.643 20 0 BDADLO [NH3+][C@H](c1nc([C@H]2CCCO2)no1)c1ccccc1 ZINC000087801271 359930943 /nfs/dbraw/zinc/93/09/43/359930943.db2.gz DJNWMJXENXZIHR-MNOVXSKESA-N 1 2 245.282 1.969 20 0 BDADLO CC[N@H+](Cc1cncc(C)c1)C1COC1 ZINC000451282218 202392977 /nfs/dbraw/zinc/39/29/77/202392977.db2.gz BJCDQQHWZCASFZ-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1cncc(C)c1)C1COC1 ZINC000451282218 202392980 /nfs/dbraw/zinc/39/29/80/202392980.db2.gz BJCDQQHWZCASFZ-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@H+](Cc1c(C)nc2ccccn21)C1COC1 ZINC000451285103 202393431 /nfs/dbraw/zinc/39/34/31/202393431.db2.gz MHYPAJQXDUTXOH-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000578875426 366664158 /nfs/dbraw/zinc/66/41/58/366664158.db2.gz OVWXYZGNJXNTFQ-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000578875426 366664161 /nfs/dbraw/zinc/66/41/61/366664161.db2.gz OVWXYZGNJXNTFQ-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000578883242 366667011 /nfs/dbraw/zinc/66/70/11/366667011.db2.gz USUUCKCHJXWBJG-DVVUODLYSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000578883242 366667014 /nfs/dbraw/zinc/66/70/14/366667014.db2.gz USUUCKCHJXWBJG-DVVUODLYSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000578883243 366667211 /nfs/dbraw/zinc/66/72/11/366667211.db2.gz USUUCKCHJXWBJG-INTQDDNPSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000578883243 366667219 /nfs/dbraw/zinc/66/72/19/366667219.db2.gz USUUCKCHJXWBJG-INTQDDNPSA-N 1 2 239.294 1.595 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2ncnn2C)c(C)o1 ZINC000088572158 359967308 /nfs/dbraw/zinc/96/73/08/359967308.db2.gz WITFGVMMBHIFDI-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2c(c1)OCO2 ZINC000088753778 359975207 /nfs/dbraw/zinc/97/52/07/359975207.db2.gz HMIBFTLSFXKGEG-UHFFFAOYSA-N 1 2 245.238 1.068 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2c(c1)OCO2 ZINC000088753778 359975211 /nfs/dbraw/zinc/97/52/11/359975211.db2.gz HMIBFTLSFXKGEG-UHFFFAOYSA-N 1 2 245.238 1.068 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(F)cc1F ZINC000088753158 359975578 /nfs/dbraw/zinc/97/55/78/359975578.db2.gz NBOCQANUYHPJIZ-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(F)cc1F ZINC000088753158 359975581 /nfs/dbraw/zinc/97/55/81/359975581.db2.gz NBOCQANUYHPJIZ-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO O=C(CC[C@@H]1CCCCO1)NCc1c[nH+]c[nH]1 ZINC000088759468 359977685 /nfs/dbraw/zinc/97/76/85/359977685.db2.gz LWLHVVCVCCCECU-NSHDSACASA-N 1 2 237.303 1.375 20 0 BDADLO O=C(CC[C@@H]1CCCCO1)NCc1c[nH]c[nH+]1 ZINC000088759468 359977686 /nfs/dbraw/zinc/97/76/86/359977686.db2.gz LWLHVVCVCCCECU-NSHDSACASA-N 1 2 237.303 1.375 20 0 BDADLO COc1cccc(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088759251 359977693 /nfs/dbraw/zinc/97/76/93/359977693.db2.gz BPYNAQTWEZYYAR-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO COc1cccc(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088759251 359977694 /nfs/dbraw/zinc/97/76/94/359977694.db2.gz BPYNAQTWEZYYAR-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO Cc1nn(C)cc1C[NH2+]C(C)(C)C(F)F ZINC000309235971 491146464 /nfs/dbraw/zinc/14/64/64/491146464.db2.gz XMOJBJAUOBQSET-UHFFFAOYSA-N 1 2 217.263 1.862 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000612746974 360040405 /nfs/dbraw/zinc/04/04/05/360040405.db2.gz HXDCFOLMWXEFDI-RYUDHWBXSA-N 1 2 248.326 1.874 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC[C@H]1C1CC1 ZINC000090009381 360054125 /nfs/dbraw/zinc/05/41/25/360054125.db2.gz DWDUWODQJFFHNW-LBPRGKRZSA-N 1 2 235.331 1.514 20 0 BDADLO COC(=O)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090165268 360060425 /nfs/dbraw/zinc/06/04/25/360060425.db2.gz VOHVXXOMFWRVGN-UHFFFAOYSA-N 1 2 245.282 1.819 20 0 BDADLO CCN(CC(=O)OC)Cc1c[nH+]cn1C(C)C ZINC000090237111 360067160 /nfs/dbraw/zinc/06/71/60/360067160.db2.gz HGMSORZKUOEPLS-UHFFFAOYSA-N 1 2 239.319 1.459 20 0 BDADLO Cc1cc(NC[C@](C)(O)CO)nc(C(C)C)[nH+]1 ZINC000090287793 360069189 /nfs/dbraw/zinc/06/91/89/360069189.db2.gz GXPSAHWUEDNGSU-LBPRGKRZSA-N 1 2 239.319 1.064 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000093508475 360252779 /nfs/dbraw/zinc/25/27/79/360252779.db2.gz ZTYOZPHMDHXHOI-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000093508475 360252781 /nfs/dbraw/zinc/25/27/81/360252781.db2.gz ZTYOZPHMDHXHOI-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccsc1 ZINC000093385072 360237636 /nfs/dbraw/zinc/23/76/36/360237636.db2.gz OJCWCOOTKKMWDN-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccsc1 ZINC000093385072 360237638 /nfs/dbraw/zinc/23/76/38/360237638.db2.gz OJCWCOOTKKMWDN-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO O=C1C[N@H+](Cc2cccs2)CCN1C1CC1 ZINC000093444574 360244880 /nfs/dbraw/zinc/24/48/80/360244880.db2.gz JPALVBVRMQGZSG-UHFFFAOYSA-N 1 2 236.340 1.555 20 0 BDADLO O=C1C[N@@H+](Cc2cccs2)CCN1C1CC1 ZINC000093444574 360244884 /nfs/dbraw/zinc/24/48/84/360244884.db2.gz JPALVBVRMQGZSG-UHFFFAOYSA-N 1 2 236.340 1.555 20 0 BDADLO CC(C)[C@H]([NH2+]CC(F)F)C(=O)N1CCCC1 ZINC000309331306 491147892 /nfs/dbraw/zinc/14/78/92/491147892.db2.gz HXBVWSLQHSPBQK-JTQLQIEISA-N 1 2 234.290 1.488 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)n[nH]1 ZINC000093691836 360271973 /nfs/dbraw/zinc/27/19/73/360271973.db2.gz HDRTWLLOSHZMGJ-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)n[nH]1 ZINC000093691836 360271979 /nfs/dbraw/zinc/27/19/79/360271979.db2.gz HDRTWLLOSHZMGJ-ZDUSSCGKSA-N 1 2 244.298 1.458 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n[nH]1 ZINC000093691835 360272081 /nfs/dbraw/zinc/27/20/81/360272081.db2.gz HDRTWLLOSHZMGJ-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n[nH]1 ZINC000093691835 360272086 /nfs/dbraw/zinc/27/20/86/360272086.db2.gz HDRTWLLOSHZMGJ-CYBMUJFWSA-N 1 2 244.298 1.458 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000613086517 360347633 /nfs/dbraw/zinc/34/76/33/360347633.db2.gz NWWWMHWCSCJDJR-MRVPVSSYSA-N 1 2 220.272 1.584 20 0 BDADLO O[C@@H]1C[C@H]2C[C@@H](C1)N(c1[nH]c3ccccc3[nH+]1)C2 ZINC000631519119 360347878 /nfs/dbraw/zinc/34/78/78/360347878.db2.gz AAGQYMMAEDEZJX-OUAUKWLOSA-N 1 2 243.310 1.913 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000096643188 360351318 /nfs/dbraw/zinc/35/13/18/360351318.db2.gz LUYRORNWUGJZSV-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCn2c[nH+]cc2C1 ZINC000096641921 360351338 /nfs/dbraw/zinc/35/13/38/360351338.db2.gz MXRKIGKMWUNNOO-JTQLQIEISA-N 1 2 245.282 1.355 20 0 BDADLO CC(C)NC(=O)CCNc1cc[nH+]cc1F ZINC000309406534 491148735 /nfs/dbraw/zinc/14/87/35/491148735.db2.gz XEXJXYMQGXKKGN-UHFFFAOYSA-N 1 2 225.267 1.547 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000096785900 360355179 /nfs/dbraw/zinc/35/51/79/360355179.db2.gz ZROCHHQBSUPNDC-VXGBXAGGSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000096785903 360355263 /nfs/dbraw/zinc/35/52/63/360355263.db2.gz ZROCHHQBSUPNDC-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO COc1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)[nH]n1 ZINC000628628637 360585636 /nfs/dbraw/zinc/58/56/36/360585636.db2.gz STBMULVNHTUNJN-UHFFFAOYSA-N 1 2 249.274 1.058 20 0 BDADLO COc1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)[nH]n1 ZINC000628628637 360585640 /nfs/dbraw/zinc/58/56/40/360585640.db2.gz STBMULVNHTUNJN-UHFFFAOYSA-N 1 2 249.274 1.058 20 0 BDADLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000061757315 360659820 /nfs/dbraw/zinc/65/98/20/360659820.db2.gz FBEAWXNOORBQHW-CYBMUJFWSA-N 1 2 248.326 1.148 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000629031700 360809571 /nfs/dbraw/zinc/80/95/71/360809571.db2.gz SOXDPUUNJBRTQF-BYCRGOAPSA-N 1 2 233.315 1.446 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@]12C[C@@H]1CCCC2 ZINC000634092273 360917059 /nfs/dbraw/zinc/91/70/59/360917059.db2.gz XNTDGCIRQMFWEP-GWCFXTLKSA-N 1 2 233.315 1.791 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000640485042 361277222 /nfs/dbraw/zinc/27/72/22/361277222.db2.gz FFYGADJZNWCLTC-JTQLQIEISA-N 1 2 223.276 1.406 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000640485042 361277227 /nfs/dbraw/zinc/27/72/27/361277227.db2.gz FFYGADJZNWCLTC-JTQLQIEISA-N 1 2 223.276 1.406 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579000687 366691663 /nfs/dbraw/zinc/69/16/63/366691663.db2.gz DONZVAHBAKLKPT-DTWKUNHWSA-N 1 2 241.360 1.456 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579000687 366691668 /nfs/dbraw/zinc/69/16/68/366691668.db2.gz DONZVAHBAKLKPT-DTWKUNHWSA-N 1 2 241.360 1.456 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000640481865 361267406 /nfs/dbraw/zinc/26/74/06/361267406.db2.gz FSOUCTUKNGVYAH-BXUZGUMPSA-N 1 2 247.342 1.565 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1ccn(C3CCCC3)n1)C2 ZINC000640481865 361267412 /nfs/dbraw/zinc/26/74/12/361267412.db2.gz FSOUCTUKNGVYAH-BXUZGUMPSA-N 1 2 247.342 1.565 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1O ZINC000428290264 201006387 /nfs/dbraw/zinc/00/63/87/201006387.db2.gz LZZFVJSGGYWYLT-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1O ZINC000428290264 201006389 /nfs/dbraw/zinc/00/63/89/201006389.db2.gz LZZFVJSGGYWYLT-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000579124079 366718105 /nfs/dbraw/zinc/71/81/05/366718105.db2.gz FLAICKITBRVRPR-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000579124079 366718107 /nfs/dbraw/zinc/71/81/07/366718107.db2.gz FLAICKITBRVRPR-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)OCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579015741 366696663 /nfs/dbraw/zinc/69/66/63/366696663.db2.gz FGDYQCOFZNXYMK-UHFFFAOYSA-N 1 2 239.319 1.576 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ncn1 ZINC000428418204 201013102 /nfs/dbraw/zinc/01/31/02/201013102.db2.gz FGAJLIMERICSSD-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ncn1 ZINC000428418204 201013103 /nfs/dbraw/zinc/01/31/03/201013103.db2.gz FGAJLIMERICSSD-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO CCCc1c(C)[nH]n(CC[NH+](C)C)c1=O ZINC000614187287 363748306 /nfs/dbraw/zinc/74/83/06/363748306.db2.gz YOMMFOCZITTZRH-JTQLQIEISA-N 1 2 211.309 1.182 20 0 BDADLO CC1(CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000614233929 363752220 /nfs/dbraw/zinc/75/22/20/363752220.db2.gz HNNLVYFTWOYGEH-SNVBAGLBSA-N 1 2 247.342 1.821 20 0 BDADLO CC1(CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000614233929 363752225 /nfs/dbraw/zinc/75/22/25/363752225.db2.gz HNNLVYFTWOYGEH-SNVBAGLBSA-N 1 2 247.342 1.821 20 0 BDADLO CC(C)[C@@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275533 363767506 /nfs/dbraw/zinc/76/75/06/363767506.db2.gz LKUVRNZEPRLXDF-LLVKDONJSA-N 1 2 233.271 1.290 20 0 BDADLO CC(C)[C@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276999 363768594 /nfs/dbraw/zinc/76/85/94/363768594.db2.gz YYJYIKZCECGCDZ-ZDUSSCGKSA-N 1 2 247.298 1.680 20 0 BDADLO CCC[C@H](O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276872 363768885 /nfs/dbraw/zinc/76/88/85/363768885.db2.gz XILWYOPBYMCJGI-NSHDSACASA-N 1 2 247.298 1.824 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000428956567 201052933 /nfs/dbraw/zinc/05/29/33/201052933.db2.gz OHUIUYVIYXNWQV-VIFPVBQESA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000428956567 201052937 /nfs/dbraw/zinc/05/29/37/201052937.db2.gz OHUIUYVIYXNWQV-VIFPVBQESA-N 1 2 238.335 1.131 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nncn1C(C)C ZINC000429270873 201086738 /nfs/dbraw/zinc/08/67/38/201086738.db2.gz HRXZRHYGICWRMH-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429270873 201086739 /nfs/dbraw/zinc/08/67/39/201086739.db2.gz HRXZRHYGICWRMH-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1ncnn1CCF ZINC000429254503 201085533 /nfs/dbraw/zinc/08/55/33/201085533.db2.gz FWEOBZMCAFYJNX-UHFFFAOYSA-N 1 2 244.314 1.104 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1ncnn1CCF ZINC000429254503 201085535 /nfs/dbraw/zinc/08/55/35/201085535.db2.gz FWEOBZMCAFYJNX-UHFFFAOYSA-N 1 2 244.314 1.104 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C[C@@H]1CCCO1 ZINC000429537419 201112564 /nfs/dbraw/zinc/11/25/64/201112564.db2.gz GZZGFCWDZRBLPP-ZDUSSCGKSA-N 1 2 249.358 1.830 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](CO)C2)no1 ZINC000429722417 201128488 /nfs/dbraw/zinc/12/84/88/201128488.db2.gz IKTGLYFEHCRAHP-PSASIEDQSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](CO)C2)no1 ZINC000429722417 201128492 /nfs/dbraw/zinc/12/84/92/201128492.db2.gz IKTGLYFEHCRAHP-PSASIEDQSA-N 1 2 225.292 1.143 20 0 BDADLO CC(C)(C)c1cc(C[N@H+](CCO)C2CC2)no1 ZINC000429717083 201130064 /nfs/dbraw/zinc/13/00/64/201130064.db2.gz GRYQOGSFHWEEEV-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+](CCO)C2CC2)no1 ZINC000429717083 201130066 /nfs/dbraw/zinc/13/00/66/201130066.db2.gz GRYQOGSFHWEEEV-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2ccccc2O)c1 ZINC000170190409 361407646 /nfs/dbraw/zinc/40/76/46/361407646.db2.gz XIKQKRZBENENAL-UHFFFAOYSA-N 1 2 245.282 1.098 20 0 BDADLO COCc1nnc(NCc2c[nH+]cn2C)s1 ZINC000309881601 491157842 /nfs/dbraw/zinc/15/78/42/491157842.db2.gz VPHYXQPSEKLSRU-UHFFFAOYSA-N 1 2 239.304 1.030 20 0 BDADLO Cc1noc(NCc2cccc3[nH+]ccn32)n1 ZINC000181519263 366817931 /nfs/dbraw/zinc/81/79/31/366817931.db2.gz ZYOYGZOUTNAQEN-UHFFFAOYSA-N 1 2 229.243 1.638 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614378593 363798302 /nfs/dbraw/zinc/79/83/02/363798302.db2.gz GCMKZWOUXJSEKO-GWOFURMSSA-N 1 2 233.315 1.438 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](C)C[C@H](C)O)[nH+]1 ZINC000433796380 201193028 /nfs/dbraw/zinc/19/30/28/201193028.db2.gz LUCZKPSENJWUNC-BDAKNGLRSA-N 1 2 248.330 1.507 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433799032 201193540 /nfs/dbraw/zinc/19/35/40/201193540.db2.gz NNBDBNPJXYIYNB-KCJUWKMLSA-N 1 2 248.330 1.507 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)OC[C@H]2C)[nH+]1 ZINC000433773044 201194373 /nfs/dbraw/zinc/19/43/73/201194373.db2.gz GFKSEMPDKGDYPL-BDAKNGLRSA-N 1 2 246.314 1.880 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCOC[C@H]2C)[nH+]1 ZINC000433782132 201194404 /nfs/dbraw/zinc/19/44/04/201194404.db2.gz ZBSSVXUKPQTEQW-MRVPVSSYSA-N 1 2 232.287 1.491 20 0 BDADLO CC1(CNc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000433788921 201194777 /nfs/dbraw/zinc/19/47/77/201194777.db2.gz JVFMPGPKUYCIAC-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CC1(CNc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000433788921 201194781 /nfs/dbraw/zinc/19/47/81/201194781.db2.gz JVFMPGPKUYCIAC-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000434547537 201227064 /nfs/dbraw/zinc/22/70/64/201227064.db2.gz NVNFGMJWGFWKKE-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000434547537 201227067 /nfs/dbraw/zinc/22/70/67/201227067.db2.gz NVNFGMJWGFWKKE-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO CCOC(=O)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000152833677 201209503 /nfs/dbraw/zinc/20/95/03/201209503.db2.gz WYRDQNYGKFOPLY-QMMMGPOBSA-N 1 2 223.276 1.539 20 0 BDADLO CCn1nccc1-c1ccc(NC)[nH+]c1 ZINC000629701283 361631388 /nfs/dbraw/zinc/63/13/88/361631388.db2.gz AKSSVGDQUDHLFY-UHFFFAOYSA-N 1 2 202.261 1.429 20 0 BDADLO FC(F)OC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000435590321 201277718 /nfs/dbraw/zinc/27/77/18/201277718.db2.gz YJGXPQRSTBTTDA-UHFFFAOYSA-N 1 2 241.241 1.782 20 0 BDADLO CCCn1cc(C[NH+]2CCOCC2)cn1 ZINC000154497509 201282233 /nfs/dbraw/zinc/28/22/33/201282233.db2.gz GACARHJCBSQSBF-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO CNc1ccc(-c2cn(C)nc2C)c[nH+]1 ZINC000629721916 361661819 /nfs/dbraw/zinc/66/18/19/361661819.db2.gz HVHRIKYOMLGROO-UHFFFAOYSA-N 1 2 202.261 1.254 20 0 BDADLO CC(C)c1nc(NCc2cccnn2)cc[nH+]1 ZINC000436431678 201326101 /nfs/dbraw/zinc/32/61/01/201326101.db2.gz LZJCNRGZUHAEKR-UHFFFAOYSA-N 1 2 229.287 1.424 20 0 BDADLO CC1=CCC[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000436261405 201316470 /nfs/dbraw/zinc/31/64/70/201316470.db2.gz BPUSQKGQNIFAGU-UHFFFAOYSA-N 1 2 235.335 1.580 20 0 BDADLO CC1=CCC[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000436261405 201316473 /nfs/dbraw/zinc/31/64/73/201316473.db2.gz BPUSQKGQNIFAGU-UHFFFAOYSA-N 1 2 235.335 1.580 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000328192116 363855988 /nfs/dbraw/zinc/85/59/88/363855988.db2.gz AQWWKAZZBVPGCN-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO CCn1cc(NC(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000630408984 364141652 /nfs/dbraw/zinc/14/16/52/364141652.db2.gz AOUGTSXJGZAQRJ-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCOC1 ZINC000622082418 370699816 /nfs/dbraw/zinc/69/98/16/370699816.db2.gz MROLZVOLVQVOFO-VHSXEESVSA-N 1 2 237.303 1.117 20 0 BDADLO O=C(Nc1cn[nH]c1)c1ccc2[nH+]ccn2c1 ZINC000170801033 364258654 /nfs/dbraw/zinc/25/86/54/364258654.db2.gz AAKZOALIWMVDRH-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CC[C@@](C)(NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000618959793 364273174 /nfs/dbraw/zinc/27/31/74/364273174.db2.gz FPJOIMBDXXHGJG-CYBMUJFWSA-N 1 2 235.331 1.956 20 0 BDADLO CC[C@@](C)(NC(=O)Cc1[nH+]c[nH]c1C)C1CC1 ZINC000618959793 364273178 /nfs/dbraw/zinc/27/31/78/364273178.db2.gz FPJOIMBDXXHGJG-CYBMUJFWSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1C(F)(F)F ZINC000615028554 364394900 /nfs/dbraw/zinc/39/49/00/364394900.db2.gz BHVZYVCFNRPDDD-QMMMGPOBSA-N 1 2 247.220 1.424 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]1C(F)(F)F ZINC000615030274 364396838 /nfs/dbraw/zinc/39/68/38/364396838.db2.gz OOKGORXNFSARQP-QMMMGPOBSA-N 1 2 247.220 1.506 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]1C(F)(F)F ZINC000615030274 364396847 /nfs/dbraw/zinc/39/68/47/364396847.db2.gz OOKGORXNFSARQP-QMMMGPOBSA-N 1 2 247.220 1.506 20 0 BDADLO Cc1[nH]c(C(=O)NCCCC2CC2)c[nH+]1 ZINC000077027374 364403898 /nfs/dbraw/zinc/40/38/98/364403898.db2.gz MMFHJLWPYAUPAI-UHFFFAOYSA-N 1 2 207.277 1.638 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000615039441 364404306 /nfs/dbraw/zinc/40/43/06/364404306.db2.gz LDYKBYSTFBPOEP-LLVKDONJSA-N 1 2 233.315 1.662 20 0 BDADLO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000615038949 364405461 /nfs/dbraw/zinc/40/54/61/364405461.db2.gz CEDMHNAPKVFLFQ-URLYPYJESA-N 1 2 231.299 1.271 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCCCO ZINC000579494453 366834085 /nfs/dbraw/zinc/83/40/85/366834085.db2.gz OXQRWSKLCFDOLH-UHFFFAOYSA-N 1 2 209.293 1.090 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOCC1(C)C ZINC000181658540 366836422 /nfs/dbraw/zinc/83/64/22/366836422.db2.gz ZCXYLZRPUOHLIV-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1oncc1C[N@H+]1CCOCC1(C)C ZINC000181658540 366836427 /nfs/dbraw/zinc/83/64/27/366836427.db2.gz ZCXYLZRPUOHLIV-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO CCCC[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000356278729 366847655 /nfs/dbraw/zinc/84/76/55/366847655.db2.gz JKBXQIDIIYVOII-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@@H]([NH2+][C@H](COC)C1CC1)C(=O)OCC ZINC000136627226 364474302 /nfs/dbraw/zinc/47/43/02/364474302.db2.gz JSEMOQHAYPUAHC-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC(C2CC2)C1 ZINC000615104028 364491635 /nfs/dbraw/zinc/49/16/35/364491635.db2.gz NLGNIQFMFNMXNR-JTQLQIEISA-N 1 2 245.326 1.383 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC(C2CC2)C1 ZINC000615104028 364491636 /nfs/dbraw/zinc/49/16/36/364491636.db2.gz NLGNIQFMFNMXNR-JTQLQIEISA-N 1 2 245.326 1.383 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000615157381 364547132 /nfs/dbraw/zinc/54/71/32/364547132.db2.gz CWENIDVEISYHKW-OPRDCNLKSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@@H](NC(=O)[C@]12C[C@H]1COC2(C)C)c1[nH]cc[nH+]1 ZINC000615158229 364550927 /nfs/dbraw/zinc/55/09/27/364550927.db2.gz KYQNBTVHSDESIS-ZDMBXUJBSA-N 1 2 249.314 1.402 20 0 BDADLO CCOCc1nc([C@@H](C)[NH2+]C[C@H](O)CC)no1 ZINC000644651106 541367223 /nfs/dbraw/zinc/36/72/23/541367223.db2.gz QNIOBXAGXLOFHZ-RKDXNWHRSA-N 1 2 243.307 1.028 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1CSC1 ZINC000630866309 364697622 /nfs/dbraw/zinc/69/76/22/364697622.db2.gz LSUIVLJMYOUZQP-UHFFFAOYSA-N 1 2 224.285 1.392 20 0 BDADLO CC(C)C1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615359043 364726664 /nfs/dbraw/zinc/72/66/64/364726664.db2.gz XODKYRLUDVNEIM-JTQLQIEISA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)C1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615359043 364726666 /nfs/dbraw/zinc/72/66/66/364726666.db2.gz XODKYRLUDVNEIM-JTQLQIEISA-N 1 2 247.342 1.819 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCOC[C@H]1C ZINC000573338323 364804773 /nfs/dbraw/zinc/80/47/73/364804773.db2.gz KJTYRENDSJIJNG-ZYHUDNBSSA-N 1 2 235.331 1.600 20 0 BDADLO CCc1nc(C[NH2+][C@H]2COC[C@@H]2OC)cs1 ZINC000290210381 364768683 /nfs/dbraw/zinc/76/86/83/364768683.db2.gz VBAQDPPZSRTLMA-UWVGGRQHSA-N 1 2 242.344 1.209 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC1(C)C ZINC000573384860 364819514 /nfs/dbraw/zinc/81/95/14/364819514.db2.gz ICQIOMWZGJVDPX-GXSJLCMTSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC1(C)C ZINC000573384860 364819518 /nfs/dbraw/zinc/81/95/18/364819518.db2.gz ICQIOMWZGJVDPX-GXSJLCMTSA-N 1 2 235.331 1.845 20 0 BDADLO FC(F)CC1C[NH+](Cc2cnccn2)C1 ZINC000573598741 364871366 /nfs/dbraw/zinc/87/13/66/364871366.db2.gz FUPMPYGOGLTHLG-UHFFFAOYSA-N 1 2 213.231 1.564 20 0 BDADLO Cc1ccccc1-n1cc(C[NH2+]CCF)nn1 ZINC000573763526 364911175 /nfs/dbraw/zinc/91/11/75/364911175.db2.gz KXDBWFRLMRIXPB-UHFFFAOYSA-N 1 2 234.278 1.635 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cn[nH]c1 ZINC000336706196 541401516 /nfs/dbraw/zinc/40/15/16/541401516.db2.gz RLOPWJBSQJOMHW-YUMQZZPRSA-N 1 2 205.265 1.545 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@H](C(=O)[O-])C1 ZINC000573926670 364947992 /nfs/dbraw/zinc/94/79/92/364947992.db2.gz CBMZFOXKHHNENA-ONGXEEELSA-N 1 2 249.314 1.179 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@H](C(=O)[O-])C1 ZINC000573926670 364947997 /nfs/dbraw/zinc/94/79/97/364947997.db2.gz CBMZFOXKHHNENA-ONGXEEELSA-N 1 2 249.314 1.179 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(F)cc1 ZINC000336015254 541424543 /nfs/dbraw/zinc/42/45/43/541424543.db2.gz PWNHHTURHKBOBT-UHFFFAOYSA-N 1 2 233.246 1.489 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)ccn1 ZINC000574123293 364991718 /nfs/dbraw/zinc/99/17/18/364991718.db2.gz WNVJNTLBDNAFFT-UHFFFAOYSA-N 1 2 229.239 1.165 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]1C ZINC000379771848 365008278 /nfs/dbraw/zinc/00/82/78/365008278.db2.gz ARVIZXUORFDWCS-RNFRBKRXSA-N 1 2 208.265 1.278 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H]1C ZINC000379771848 365008281 /nfs/dbraw/zinc/00/82/81/365008281.db2.gz ARVIZXUORFDWCS-RNFRBKRXSA-N 1 2 208.265 1.278 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000574337328 365040060 /nfs/dbraw/zinc/04/00/60/365040060.db2.gz QBYLFQUUALMWKH-IUCAKERBSA-N 1 2 237.303 1.196 20 0 BDADLO CC1CC(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000622238098 370784723 /nfs/dbraw/zinc/78/47/23/370784723.db2.gz BHIPKSKCHANOAB-UHFFFAOYSA-N 1 2 235.331 1.850 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@H]1CCCOC1 ZINC000574345356 365042677 /nfs/dbraw/zinc/04/26/77/365042677.db2.gz ZRHANRUOOAWFGT-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1CCCOC1 ZINC000574345356 365042680 /nfs/dbraw/zinc/04/26/80/365042680.db2.gz ZRHANRUOOAWFGT-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCSc1cnccn1 ZINC000574380521 365047167 /nfs/dbraw/zinc/04/71/67/365047167.db2.gz YCNPNTNKJVAELG-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1COCC[N@H+]1CCSc1cnccn1 ZINC000574380521 365047170 /nfs/dbraw/zinc/04/71/70/365047170.db2.gz YCNPNTNKJVAELG-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO Cc1cc(C)nc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC000574376966 365047228 /nfs/dbraw/zinc/04/72/28/365047228.db2.gz NTMQYHMMJSTCPW-UHFFFAOYSA-N 1 2 243.314 1.537 20 0 BDADLO C[C@H](CC(=O)N1CCC(=O)[C@H](C)C1)n1cc[nH+]c1 ZINC000574405475 365055263 /nfs/dbraw/zinc/05/52/63/365055263.db2.gz DRWUXOSHHPRYAX-GHMZBOCLSA-N 1 2 249.314 1.272 20 0 BDADLO C[C@@H](CC(=O)NCC1=CCOCC1)n1cc[nH+]c1 ZINC000574455957 365066143 /nfs/dbraw/zinc/06/61/43/365066143.db2.gz GQAJUJYBKLBTOY-NSHDSACASA-N 1 2 249.314 1.297 20 0 BDADLO CC[C@@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000574329183 365037942 /nfs/dbraw/zinc/03/79/42/365037942.db2.gz BBCIXHYEVMWDEW-GHMZBOCLSA-N 1 2 221.304 1.845 20 0 BDADLO C[C@@H](CC(C)(C)C)NC(=O)Cn1cc[nH+]c1 ZINC000574615944 365102984 /nfs/dbraw/zinc/10/29/84/365102984.db2.gz MXUZAGJLHNEFMY-JTQLQIEISA-N 1 2 223.320 1.824 20 0 BDADLO C[C@H](CCC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC000575053918 365179105 /nfs/dbraw/zinc/17/91/05/365179105.db2.gz UALRXIUPFWNCLR-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO CC[C@H](F)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000443062324 193012593 /nfs/dbraw/zinc/01/25/93/193012593.db2.gz WSLVMDPSYZVFSN-QMMMGPOBSA-N 1 2 234.296 1.083 20 0 BDADLO COC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC000444085587 193034449 /nfs/dbraw/zinc/03/44/49/193034449.db2.gz VMXIXPKPZSLKTQ-UHFFFAOYSA-N 1 2 220.316 1.583 20 0 BDADLO O=C(CNc1cccc(F)c1)NCc1c[nH+]c[nH]1 ZINC000443538366 193023282 /nfs/dbraw/zinc/02/32/82/193023282.db2.gz MBCJPQMYHAEJQF-UHFFFAOYSA-N 1 2 248.261 1.277 20 0 BDADLO O=C(CNc1cccc(F)c1)NCc1c[nH]c[nH+]1 ZINC000443538366 193023284 /nfs/dbraw/zinc/02/32/84/193023284.db2.gz MBCJPQMYHAEJQF-UHFFFAOYSA-N 1 2 248.261 1.277 20 0 BDADLO CCOCC[C@@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000444602499 193052323 /nfs/dbraw/zinc/05/23/23/193052323.db2.gz JVARRYWNVYSMRH-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000444602499 193052326 /nfs/dbraw/zinc/05/23/26/193052326.db2.gz JVARRYWNVYSMRH-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CCN(CC)C(=O)[C@H]([NH3+])c1cscn1 ZINC000579581697 366888138 /nfs/dbraw/zinc/88/81/38/366888138.db2.gz YSNYUTHVTZVILE-MRVPVSSYSA-N 1 2 213.306 1.011 20 0 BDADLO CC1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000684086732 541475196 /nfs/dbraw/zinc/47/51/96/541475196.db2.gz JWKRCAHVWQVOEG-JTQLQIEISA-N 1 2 233.315 1.314 20 0 BDADLO CN(CC(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000353075580 541483305 /nfs/dbraw/zinc/48/33/05/541483305.db2.gz HSAIGTWTNHYLIP-UHFFFAOYSA-N 1 2 217.219 1.066 20 0 BDADLO CN(CC(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000353075580 541483308 /nfs/dbraw/zinc/48/33/08/541483308.db2.gz HSAIGTWTNHYLIP-UHFFFAOYSA-N 1 2 217.219 1.066 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)c1[nH]cc[nH+]1 ZINC000579730074 366996831 /nfs/dbraw/zinc/99/68/31/366996831.db2.gz BFOWNUHASLHRON-VQVTYTSYSA-N 1 2 229.230 1.488 20 0 BDADLO Nc1n[nH]c(SCc2c[nH+]c3ccccn23)n1 ZINC000183148161 366979762 /nfs/dbraw/zinc/97/97/62/366979762.db2.gz OETCZXJWEUKDLU-UHFFFAOYSA-N 1 2 246.299 1.327 20 0 BDADLO CCC[C@H](C)[C@H](CO)[NH2+]Cc1noc(CC)n1 ZINC000579843402 367045765 /nfs/dbraw/zinc/04/57/65/367045765.db2.gz FSKISYVOZCSJHK-UWVGGRQHSA-N 1 2 241.335 1.519 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCO1 ZINC000183620579 367033849 /nfs/dbraw/zinc/03/38/49/367033849.db2.gz GPDMDYYANRXAGH-UHFFFAOYSA-N 1 2 245.282 1.509 20 0 BDADLO Cc1ncccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000579976816 367112822 /nfs/dbraw/zinc/11/28/22/367112822.db2.gz PVMOOBPVLSJDBV-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cnoc1C ZINC000185142236 367121082 /nfs/dbraw/zinc/12/10/82/367121082.db2.gz JZQMJFXBAZKWHD-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cnoc1C ZINC000185142236 367121087 /nfs/dbraw/zinc/12/10/87/367121087.db2.gz JZQMJFXBAZKWHD-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC1(F)F ZINC000622309382 370836771 /nfs/dbraw/zinc/83/67/71/370836771.db2.gz OXZWFPCCMQADSE-HTQZYQBOSA-N 1 2 229.230 1.043 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC1(F)F ZINC000622309384 370837016 /nfs/dbraw/zinc/83/70/16/370837016.db2.gz OXZWFPCCMQADSE-SFYZADRCSA-N 1 2 229.230 1.043 20 0 BDADLO COc1ccc[nH+]c1NCC1([S@@](C)=O)CC1 ZINC000380202938 367155580 /nfs/dbraw/zinc/15/55/80/367155580.db2.gz ICAAIPVMEFTOLU-MRXNPFEDSA-N 1 2 240.328 1.413 20 0 BDADLO Nc1nc(NC[C@@H]2CC23CC3)[nH+]c2ccccc12 ZINC000580882736 367195746 /nfs/dbraw/zinc/19/57/46/367195746.db2.gz KKWUADUGOKGSPX-VIFPVBQESA-N 1 2 240.310 1.676 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000580928276 367206218 /nfs/dbraw/zinc/20/62/18/367206218.db2.gz UDFCNOZBTMMDDF-DOFRTFSJSA-N 1 2 234.303 1.018 20 0 BDADLO C[C@@H](Cc1ccncc1)NC(=O)Cn1cc[nH+]c1 ZINC000581165401 367280012 /nfs/dbraw/zinc/28/00/12/367280012.db2.gz WWVZQUUKUASJFE-NSHDSACASA-N 1 2 244.298 1.026 20 0 BDADLO CC/C=C/CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581379042 367411726 /nfs/dbraw/zinc/41/17/26/367411726.db2.gz AYIJGIMJIPLTCK-ORAHPGNNSA-N 1 2 221.304 1.671 20 0 BDADLO CC/C=C/CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581379042 367411733 /nfs/dbraw/zinc/41/17/33/367411733.db2.gz AYIJGIMJIPLTCK-ORAHPGNNSA-N 1 2 221.304 1.671 20 0 BDADLO CN(C)c1ncc(C[NH2+]CC(C)(F)F)s1 ZINC000381970505 367475440 /nfs/dbraw/zinc/47/54/40/367475440.db2.gz BVXMEUVNQUHNQR-UHFFFAOYSA-N 1 2 235.303 1.954 20 0 BDADLO Cc1nc(CSc2nc(N)cc(C)[nH+]2)co1 ZINC000381808001 367459288 /nfs/dbraw/zinc/45/92/88/367459288.db2.gz BLMRTJISJWKIBS-UHFFFAOYSA-N 1 2 236.300 1.786 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581497964 367526120 /nfs/dbraw/zinc/52/61/20/367526120.db2.gz LCVIVQAIRDLNLZ-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581497964 367526129 /nfs/dbraw/zinc/52/61/29/367526129.db2.gz LCVIVQAIRDLNLZ-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1cc(C)nc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000581503029 367528348 /nfs/dbraw/zinc/52/83/48/367528348.db2.gz PSVMCMFFDMVTTD-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO COc1cc(C[NH2+]Cc2cocn2)sn1 ZINC000399152398 367691605 /nfs/dbraw/zinc/69/16/05/367691605.db2.gz YGYDJRVTAVRLPM-UHFFFAOYSA-N 1 2 225.273 1.430 20 0 BDADLO CCC(C)(C)OCC(=O)NCc1[nH]cc[nH+]1 ZINC000622366371 370870906 /nfs/dbraw/zinc/87/09/06/370870906.db2.gz APBPCTSNKUUOAP-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO Cc1ccc(F)c(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000622366797 370871256 /nfs/dbraw/zinc/87/12/56/370871256.db2.gz PRIIARDRACUBFI-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO C[NH2+]Cc1noc(CO[C@H]2CCC[C@@H](C)C2)n1 ZINC000581871937 367860163 /nfs/dbraw/zinc/86/01/63/367860163.db2.gz CVVJHYOUGLGHCD-ZJUUUORDSA-N 1 2 239.319 1.884 20 0 BDADLO CC[C@@H]1[C@H](CO)CCN1c1cc[nH+]c(C)n1 ZINC000385866309 367871368 /nfs/dbraw/zinc/87/13/68/367871368.db2.gz IKEFHYDGDPTYNT-WDEREUQCSA-N 1 2 221.304 1.382 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1cnnn1C ZINC000581816154 367830120 /nfs/dbraw/zinc/83/01/20/367830120.db2.gz XIJPQUJFXYAYPL-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000581918060 367905398 /nfs/dbraw/zinc/90/53/98/367905398.db2.gz OWEGYPNAVFNYMM-LLVKDONJSA-N 1 2 221.304 1.388 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC1CCC1 ZINC000581892447 367883925 /nfs/dbraw/zinc/88/39/25/367883925.db2.gz MBDOJBVVIBVJJC-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC1CCC1 ZINC000581892447 367883927 /nfs/dbraw/zinc/88/39/27/367883927.db2.gz MBDOJBVVIBVJJC-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@@H]1[C@@H](CO)CCN1c1cc(C)[nH+]cn1 ZINC000385926180 367884060 /nfs/dbraw/zinc/88/40/60/367884060.db2.gz UGFXNWWMEIRXCX-GHMZBOCLSA-N 1 2 221.304 1.382 20 0 BDADLO C[C@@](O)(CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000581930404 367955104 /nfs/dbraw/zinc/95/51/04/367955104.db2.gz HOPXAFQCKMDKDA-CYBMUJFWSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@@](O)(CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000581930404 367955110 /nfs/dbraw/zinc/95/51/10/367955110.db2.gz HOPXAFQCKMDKDA-CYBMUJFWSA-N 1 2 248.330 1.624 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(C(F)F)CCC1 ZINC000630923825 367961499 /nfs/dbraw/zinc/96/14/99/367961499.db2.gz YGLBTORKECTCCN-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO C[C@@H](O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000582011625 368152154 /nfs/dbraw/zinc/15/21/54/368152154.db2.gz JBRKDZSYKJBMML-SNVBAGLBSA-N 1 2 234.299 1.212 20 0 BDADLO C[C@@H](O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000582011625 368152162 /nfs/dbraw/zinc/15/21/62/368152162.db2.gz JBRKDZSYKJBMML-SNVBAGLBSA-N 1 2 234.299 1.212 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615732845 368228425 /nfs/dbraw/zinc/22/84/25/368228425.db2.gz FAJUYOKDCRTBBW-XKFHPXPTSA-N 1 2 233.315 1.606 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042512085 368310904 /nfs/dbraw/zinc/31/09/04/368310904.db2.gz KJQRUHKMBVRFOZ-WDEREUQCSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1nc(N(C)C[C@@H](C)C(C)(C)C)nc(N)[nH+]1 ZINC000399618137 368346885 /nfs/dbraw/zinc/34/68/85/368346885.db2.gz KKPAQTOINJWMAG-MRVPVSSYSA-N 1 2 237.351 1.711 20 0 BDADLO Cc1nc(N)nc(N(C)C[C@@H](C)C(C)(C)C)[nH+]1 ZINC000399618137 368346891 /nfs/dbraw/zinc/34/68/91/368346891.db2.gz KKPAQTOINJWMAG-MRVPVSSYSA-N 1 2 237.351 1.711 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)CCO1 ZINC000045752517 368429987 /nfs/dbraw/zinc/42/99/87/368429987.db2.gz KBBXFJYDOWPSMW-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)CCO1 ZINC000045752517 368429994 /nfs/dbraw/zinc/42/99/94/368429994.db2.gz KBBXFJYDOWPSMW-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO COCC[N@H+](Cc1nccn1C(F)F)C1CC1 ZINC000046066492 368436428 /nfs/dbraw/zinc/43/64/28/368436428.db2.gz CFAMPVUDEYAHOF-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO COCC[N@@H+](Cc1nccn1C(F)F)C1CC1 ZINC000046066492 368436434 /nfs/dbraw/zinc/43/64/34/368436434.db2.gz CFAMPVUDEYAHOF-UHFFFAOYSA-N 1 2 245.273 1.889 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ncccc1O ZINC000566729945 326077458 /nfs/dbraw/zinc/07/74/58/326077458.db2.gz YDMJSNKSYAIEBO-UHFFFAOYSA-N 1 2 238.287 1.171 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ncccc1O ZINC000566729945 326077461 /nfs/dbraw/zinc/07/74/61/326077461.db2.gz YDMJSNKSYAIEBO-UHFFFAOYSA-N 1 2 238.287 1.171 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)N3CCC3)cn2c1 ZINC000057228587 368488208 /nfs/dbraw/zinc/48/82/08/368488208.db2.gz LHGFUQFYXAKWBW-UHFFFAOYSA-N 1 2 244.298 1.558 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC1CCCCC1 ZINC000058543986 368514683 /nfs/dbraw/zinc/51/46/83/368514683.db2.gz XVCIEJAMYMBRIX-UHFFFAOYSA-N 1 2 233.315 1.942 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC2(C)C)on1 ZINC000064247591 368601831 /nfs/dbraw/zinc/60/18/31/368601831.db2.gz ZFGRFSKHQIIMRT-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC2(C)C)on1 ZINC000064247591 368601833 /nfs/dbraw/zinc/60/18/33/368601833.db2.gz ZFGRFSKHQIIMRT-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO c1c[nH+]c(COCc2nc(C3CCC3)no2)[nH]1 ZINC000631015640 370899712 /nfs/dbraw/zinc/89/97/12/370899712.db2.gz UZWUAIBEQPQLOL-UHFFFAOYSA-N 1 2 234.259 1.777 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2CC(F)(F)C2)c[nH+]1 ZINC000457163284 203011218 /nfs/dbraw/zinc/01/12/18/203011218.db2.gz UQVFUXSLLPEFER-UHFFFAOYSA-N 1 2 243.257 1.883 20 0 BDADLO CC(C)(NC(=O)CCCF)c1[nH]cc[nH+]1 ZINC000615952717 368761448 /nfs/dbraw/zinc/76/14/48/368761448.db2.gz HRWSKXIHQHJAAJ-UHFFFAOYSA-N 1 2 213.256 1.511 20 0 BDADLO Cc1ccoc1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000615955686 368769733 /nfs/dbraw/zinc/76/97/33/368769733.db2.gz ZEZKOSWOTRQCCU-UHFFFAOYSA-N 1 2 247.298 1.905 20 0 BDADLO C[C@H](F)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000457377244 203048482 /nfs/dbraw/zinc/04/84/82/203048482.db2.gz CTPUFXXWHXCRCK-JTQLQIEISA-N 1 2 242.298 1.321 20 0 BDADLO CC(C)(NC(=O)c1ncccc1F)c1[nH]cc[nH+]1 ZINC000615954019 368770492 /nfs/dbraw/zinc/77/04/92/368770492.db2.gz NUBSKYFDIYJVNO-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO CCC(CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000069641984 368756431 /nfs/dbraw/zinc/75/64/31/368756431.db2.gz DBOVVFIRAIAWII-UHFFFAOYSA-N 1 2 223.320 1.815 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)NCC(F)F ZINC000073523378 368807936 /nfs/dbraw/zinc/80/79/36/368807936.db2.gz ZCBJJOYSNQZSLT-UHFFFAOYSA-N 1 2 244.245 1.058 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccn(CC)c1 ZINC000616129681 368969907 /nfs/dbraw/zinc/96/99/07/368969907.db2.gz QXCRXALNDUMNLU-UHFFFAOYSA-N 1 2 224.304 1.503 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccn(CC)c1 ZINC000616129681 368969913 /nfs/dbraw/zinc/96/99/13/368969913.db2.gz QXCRXALNDUMNLU-UHFFFAOYSA-N 1 2 224.304 1.503 20 0 BDADLO COCC1(C(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000457547541 203074383 /nfs/dbraw/zinc/07/43/83/203074383.db2.gz IFBULYCKLKNLNC-UHFFFAOYSA-N 1 2 248.326 1.957 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCC(C)(C)C)c1 ZINC000457857565 203112681 /nfs/dbraw/zinc/11/26/81/203112681.db2.gz MUGPLGYPGFMPDD-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457863793 203113814 /nfs/dbraw/zinc/11/38/14/203113814.db2.gz TVGHBEXDMHZZSV-LLVKDONJSA-N 1 2 237.347 1.761 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC(C)(C)C2CC2)c1 ZINC000457866602 203114753 /nfs/dbraw/zinc/11/47/53/203114753.db2.gz IFGSPPVWZJPSRP-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000458087811 203131005 /nfs/dbraw/zinc/13/10/05/203131005.db2.gz CJKDXNRUHCSZAZ-AAEUAGOBSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)CF)CC2 ZINC000627298064 369195421 /nfs/dbraw/zinc/19/54/21/369195421.db2.gz AARWAOJBUKQYEF-SCZZXKLOSA-N 1 2 239.294 1.228 20 0 BDADLO CC[C@@]1(C(C)C)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000567564055 326217812 /nfs/dbraw/zinc/21/78/12/326217812.db2.gz FDGYHKCYCKFYHB-AAEUAGOBSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1cccn2c(NC(=O)[C@@H](O)C3CC3)c[nH+]c12 ZINC000619016052 369257987 /nfs/dbraw/zinc/25/79/87/369257987.db2.gz USLQHVXCCUDFCR-NSHDSACASA-N 1 2 245.282 1.352 20 0 BDADLO COC(=O)C[N@H+](C)C1CC(OC(C)C)C1 ZINC000459305600 203253937 /nfs/dbraw/zinc/25/39/37/203253937.db2.gz ZVNHPEXQTOGTBN-UHFFFAOYSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)C[N@@H+](C)C1CC(OC(C)C)C1 ZINC000459305600 203253940 /nfs/dbraw/zinc/25/39/40/203253940.db2.gz ZVNHPEXQTOGTBN-UHFFFAOYSA-N 1 2 215.293 1.047 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(C3CC3)nc2)[C@@H](C)CO1 ZINC000459299263 203250013 /nfs/dbraw/zinc/25/00/13/203250013.db2.gz JMAJVKDRNSTSGN-WDEREUQCSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)[C@@H](C)CO1 ZINC000459299263 203250016 /nfs/dbraw/zinc/25/00/16/203250016.db2.gz JMAJVKDRNSTSGN-WDEREUQCSA-N 1 2 247.342 1.963 20 0 BDADLO COCc1cc(C[N@@H+]2CCC23CCC3)no1 ZINC000459385670 203271189 /nfs/dbraw/zinc/27/11/89/203271189.db2.gz ZJPHLHVBMXBITR-UHFFFAOYSA-N 1 2 222.288 1.949 20 0 BDADLO COCc1cc(C[N@H+]2CCC23CCC3)no1 ZINC000459385670 203271193 /nfs/dbraw/zinc/27/11/93/203271193.db2.gz ZJPHLHVBMXBITR-UHFFFAOYSA-N 1 2 222.288 1.949 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCOCC1CCCC1 ZINC000459325629 203257358 /nfs/dbraw/zinc/25/73/58/203257358.db2.gz MPHMJWBXBKIYFW-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1CCCC1 ZINC000459325629 203257361 /nfs/dbraw/zinc/25/73/61/203257361.db2.gz MPHMJWBXBKIYFW-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnnn2CC)CCO1 ZINC000459384817 203270037 /nfs/dbraw/zinc/27/00/37/203270037.db2.gz GXDGXRZJWHOLOB-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnnn2CC)CCO1 ZINC000459384817 203270040 /nfs/dbraw/zinc/27/00/40/203270040.db2.gz GXDGXRZJWHOLOB-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO COCCOC1C[NH+](Cc2ccc(C)o2)C1 ZINC000459459423 203285674 /nfs/dbraw/zinc/28/56/74/203285674.db2.gz HNDZIYFGYZSDSS-UHFFFAOYSA-N 1 2 225.288 1.435 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC2CCCC2)CC(=O)N1 ZINC000459505580 203293533 /nfs/dbraw/zinc/29/35/33/203293533.db2.gz HYTQCTYNBZKJTF-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC2CCCC2)CC(=O)N1 ZINC000459505580 203293537 /nfs/dbraw/zinc/29/35/37/203293537.db2.gz HYTQCTYNBZKJTF-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[N@H+](CCOCC2CCCC2)CC(=O)N1 ZINC000459505591 203294416 /nfs/dbraw/zinc/29/44/16/203294416.db2.gz HYTQCTYNBZKJTF-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC2CCCC2)CC(=O)N1 ZINC000459505591 203294420 /nfs/dbraw/zinc/29/44/20/203294420.db2.gz HYTQCTYNBZKJTF-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619351641 369320053 /nfs/dbraw/zinc/32/00/53/369320053.db2.gz JIOPXECZAQGENX-IJLUTSLNSA-N 1 2 245.326 1.314 20 0 BDADLO COc1cc(C)ccc1C[NH+]1CC(NC(C)=O)C1 ZINC000459582908 203307466 /nfs/dbraw/zinc/30/74/66/203307466.db2.gz MPRYBHAIXXGTBT-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO COCc1cc(C[NH2+][C@H]2CCC[C@H]2F)no1 ZINC000459591266 203310176 /nfs/dbraw/zinc/31/01/76/203310176.db2.gz NSGLQSBCZJKROC-MNOVXSKESA-N 1 2 228.267 1.801 20 0 BDADLO COC1C[NH+](Cc2cc(F)ccc2C)C1 ZINC000459572950 203304350 /nfs/dbraw/zinc/30/43/50/203304350.db2.gz BMMAODOKUQBADE-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1c(C)cnn1C ZINC000623679126 369379039 /nfs/dbraw/zinc/37/90/39/369379039.db2.gz JHPLKYDVVXOPBY-UHFFFAOYSA-N 1 2 217.263 1.863 20 0 BDADLO CCOC1(C)C[NH+](Cc2conc2CC)C1 ZINC000459612619 203315714 /nfs/dbraw/zinc/31/57/14/203315714.db2.gz CAEHXJQIJZPQHI-UHFFFAOYSA-N 1 2 224.304 1.848 20 0 BDADLO CCOC1C[NH+](Cc2ccc(C)cn2)C1 ZINC000459610221 203316759 /nfs/dbraw/zinc/31/67/59/203316759.db2.gz RBLLFDPNOPGQNC-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CCCn1cc(C[NH+]2CC(OCC)C2)cn1 ZINC000459612038 203316895 /nfs/dbraw/zinc/31/68/95/203316895.db2.gz UBVWOEXJCFCPHH-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO OC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108850727 369411249 /nfs/dbraw/zinc/41/12/49/369411249.db2.gz PIWLPQHOZBTTJK-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000619509538 369448103 /nfs/dbraw/zinc/44/81/03/369448103.db2.gz UPKKILQSYMVXSS-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000619509538 369448105 /nfs/dbraw/zinc/44/81/05/369448105.db2.gz UPKKILQSYMVXSS-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000619509538 369448109 /nfs/dbraw/zinc/44/81/09/369448109.db2.gz UPKKILQSYMVXSS-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000619509538 369448113 /nfs/dbraw/zinc/44/81/13/369448113.db2.gz UPKKILQSYMVXSS-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO Cn1cc(-c2nc(Cn3cc[nH+]c3)cs2)cn1 ZINC000060466567 369484782 /nfs/dbraw/zinc/48/47/82/369484782.db2.gz SUMOSBNDLHAFEO-UHFFFAOYSA-N 1 2 245.311 1.788 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622485305 370952955 /nfs/dbraw/zinc/95/29/55/370952955.db2.gz KCJFMFQKVOOZGC-SNVBAGLBSA-N 1 2 235.331 1.944 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000459760917 203358120 /nfs/dbraw/zinc/35/81/20/203358120.db2.gz SUZDDEVMGBESKY-NKWVEPMBSA-N 1 2 248.735 1.300 20 0 BDADLO O=c1ccc(C[NH2+]C2(C(F)F)CC2)c[nH]1 ZINC000631129181 369504409 /nfs/dbraw/zinc/50/44/09/369504409.db2.gz XJHGAIJHOZRAKJ-UHFFFAOYSA-N 1 2 214.215 1.675 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N(C)CCO)[nH+]1 ZINC000631030192 370962363 /nfs/dbraw/zinc/96/23/63/370962363.db2.gz MODWKRKXIUQZJM-UHFFFAOYSA-N 1 2 234.303 1.510 20 0 BDADLO C[C@@H]1CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000619660915 369513390 /nfs/dbraw/zinc/51/33/90/369513390.db2.gz DZPPSMPTPXBKMD-SNVBAGLBSA-N 1 2 248.330 1.451 20 0 BDADLO C[C@H]1CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000619660920 369513991 /nfs/dbraw/zinc/51/39/91/369513991.db2.gz FORFQTGBTUTHPM-JTQLQIEISA-N 1 2 248.330 1.451 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+][C@H](CC(C)C)C(=O)OC ZINC000459784554 203367980 /nfs/dbraw/zinc/36/79/80/203367980.db2.gz XJTUBOGMCINYNE-UTUOFQBUSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H](NC(=O)Cc1cccs1)c1[nH+]ccn1C ZINC000082283226 370980138 /nfs/dbraw/zinc/98/01/38/370980138.db2.gz BARONKFCBLFWLG-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn1C ZINC000459791439 203369995 /nfs/dbraw/zinc/36/99/95/203369995.db2.gz HWRPIAIQZGRPKN-QWRGUYRKSA-N 1 2 223.345 1.418 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn1C ZINC000459791439 203369996 /nfs/dbraw/zinc/36/99/96/203369996.db2.gz HWRPIAIQZGRPKN-QWRGUYRKSA-N 1 2 223.345 1.418 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CCCC1 ZINC000619997552 369653698 /nfs/dbraw/zinc/65/36/98/369653698.db2.gz MOTOEUHRKWIZQI-SNVBAGLBSA-N 1 2 233.315 1.815 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CCCC1 ZINC000619997552 369653702 /nfs/dbraw/zinc/65/37/02/369653702.db2.gz MOTOEUHRKWIZQI-SNVBAGLBSA-N 1 2 233.315 1.815 20 0 BDADLO O=C(NCC1=CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000620006994 369662616 /nfs/dbraw/zinc/66/26/16/369662616.db2.gz KAYVWSUOAYETKF-GFCCVEGCSA-N 1 2 245.326 1.672 20 0 BDADLO CC(C)[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000620045981 369690298 /nfs/dbraw/zinc/69/02/98/369690298.db2.gz PMJZHHCYXYLWQM-CYBMUJFWSA-N 1 2 238.375 1.879 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597815 369949269 /nfs/dbraw/zinc/94/92/69/369949269.db2.gz RQZSHOBCHDROFW-RKDXNWHRSA-N 1 2 209.293 1.643 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCCO1)c1[nH+]ccn1C ZINC000620602722 369950366 /nfs/dbraw/zinc/95/03/66/369950366.db2.gz DDNINGXTURTOGG-NXEZZACHSA-N 1 2 237.303 1.166 20 0 BDADLO COC[C@@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620602769 369950767 /nfs/dbraw/zinc/95/07/67/369950767.db2.gz DUCYXFBMRSLISF-UWVGGRQHSA-N 1 2 239.319 1.270 20 0 BDADLO Cc1ncoc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603572 369951980 /nfs/dbraw/zinc/95/19/80/369951980.db2.gz LGOISJSWFMFQFS-QMMMGPOBSA-N 1 2 234.259 1.208 20 0 BDADLO C[C@H](NC(=O)[C@H]1CO[C@H](C)C1)c1[nH+]ccn1C ZINC000620606667 369955387 /nfs/dbraw/zinc/95/53/87/369955387.db2.gz YIHBWASZKFQYMI-KXUCPTDWSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@@H](NC(=O)c1ccsn1)c1[nH+]ccn1C ZINC000620607028 369956246 /nfs/dbraw/zinc/95/62/46/369956246.db2.gz DMHHCWRQOYKLGQ-SSDOTTSWSA-N 1 2 236.300 1.368 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)C(C)(F)F)c1[nH+]ccn1C ZINC000620609530 369956811 /nfs/dbraw/zinc/95/68/11/369956811.db2.gz SEFINOZJGNYOLZ-JGVFFNPUSA-N 1 2 245.273 1.889 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620608104 369956820 /nfs/dbraw/zinc/95/68/20/369956820.db2.gz MJOJTLPKWMWAOM-NXEZZACHSA-N 1 2 239.319 1.412 20 0 BDADLO CC(C)(C)n1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000620619688 369965128 /nfs/dbraw/zinc/96/51/28/369965128.db2.gz RRMSZRWKGSBPMA-UHFFFAOYSA-N 1 2 247.302 1.473 20 0 BDADLO Cc1noc(C)c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620592584 369945653 /nfs/dbraw/zinc/94/56/53/369945653.db2.gz OMUKBYMZGHWIRM-QMMMGPOBSA-N 1 2 248.286 1.516 20 0 BDADLO CCOCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620596916 369948176 /nfs/dbraw/zinc/94/81/76/369948176.db2.gz VXQBASBXRFSCSZ-SECBINFHSA-N 1 2 225.292 1.024 20 0 BDADLO Cc1[nH]c(C(=O)NCC(C2CC2)C2CC2)c[nH+]1 ZINC000075195715 370104386 /nfs/dbraw/zinc/10/43/86/370104386.db2.gz XWEQOEFIWDCVGG-UHFFFAOYSA-N 1 2 233.315 1.884 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000075685480 370167614 /nfs/dbraw/zinc/16/76/14/370167614.db2.gz NPTZIXDFGFKHFP-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000075685480 370167617 /nfs/dbraw/zinc/16/76/17/370167617.db2.gz NPTZIXDFGFKHFP-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO Clc1cncc(C[N@@H+]2CCn3cncc3C2)c1 ZINC000621296082 370223197 /nfs/dbraw/zinc/22/31/97/370223197.db2.gz GJEJZFMXUFNDOF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cncc(C[N@H+]2CCn3cncc3C2)c1 ZINC000621296082 370223200 /nfs/dbraw/zinc/22/32/00/370223200.db2.gz GJEJZFMXUFNDOF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]c(C)c2)c(C)[nH]1 ZINC000621328179 370259295 /nfs/dbraw/zinc/25/92/95/370259295.db2.gz JOJLPLUBXJMUFO-UHFFFAOYSA-N 1 2 230.271 1.404 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nc(CC)no2)C1 ZINC000076406093 370281672 /nfs/dbraw/zinc/28/16/72/370281672.db2.gz KRNSLOHMSMCEBY-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nc(CC)no2)C1 ZINC000076406093 370281676 /nfs/dbraw/zinc/28/16/76/370281676.db2.gz KRNSLOHMSMCEBY-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](CO)C2)no1 ZINC000621371977 370309664 /nfs/dbraw/zinc/30/96/64/370309664.db2.gz NBRRKTZFOUSJQP-ATZCPNFKSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](CO)C2)no1 ZINC000621371977 370309670 /nfs/dbraw/zinc/30/96/70/370309670.db2.gz NBRRKTZFOUSJQP-ATZCPNFKSA-N 1 2 239.319 1.389 20 0 BDADLO CCc1noc(C[N@H+](C)CCc2ccccn2)n1 ZINC000077482890 370425714 /nfs/dbraw/zinc/42/57/14/370425714.db2.gz XEWOHXHPASFGQD-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CCc1noc(C[N@@H+](C)CCc2ccccn2)n1 ZINC000077482890 370425718 /nfs/dbraw/zinc/42/57/18/370425718.db2.gz XEWOHXHPASFGQD-UHFFFAOYSA-N 1 2 246.314 1.702 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nccnc1C ZINC000621709747 370454462 /nfs/dbraw/zinc/45/44/62/370454462.db2.gz CLMTWKQKZPKLLR-PWSUYJOCSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nccnc1C ZINC000621709747 370454467 /nfs/dbraw/zinc/45/44/67/370454467.db2.gz CLMTWKQKZPKLLR-PWSUYJOCSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1cnccn1 ZINC000621713146 370459828 /nfs/dbraw/zinc/45/98/28/370459828.db2.gz ALBAISHTMBKKEV-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1cnccn1 ZINC000621713146 370459834 /nfs/dbraw/zinc/45/98/34/370459834.db2.gz ALBAISHTMBKKEV-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1nccnc1C ZINC000621713864 370460636 /nfs/dbraw/zinc/46/06/36/370460636.db2.gz ZJYDTNBRVQWSFR-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1nccnc1C ZINC000621713864 370460641 /nfs/dbraw/zinc/46/06/41/370460641.db2.gz ZJYDTNBRVQWSFR-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@H]1C ZINC000621725724 370478619 /nfs/dbraw/zinc/47/86/19/370478619.db2.gz YPLWDSSFFLAEAF-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@H]1C ZINC000621725724 370478622 /nfs/dbraw/zinc/47/86/22/370478622.db2.gz YPLWDSSFFLAEAF-SECBINFHSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccnc1C[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000621722466 370473362 /nfs/dbraw/zinc/47/33/62/370473362.db2.gz XZMWMZXJBSLDJC-AWEZNQCLSA-N 1 2 248.374 1.557 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000621722466 370473365 /nfs/dbraw/zinc/47/33/65/370473365.db2.gz XZMWMZXJBSLDJC-AWEZNQCLSA-N 1 2 248.374 1.557 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccnc2C)[C@H](C)CO1 ZINC000621732250 370486325 /nfs/dbraw/zinc/48/63/25/370486325.db2.gz UMPGCNSZKPVLGJ-ZYHUDNBSSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccnc2C)[C@H](C)CO1 ZINC000621732250 370486327 /nfs/dbraw/zinc/48/63/27/370486327.db2.gz UMPGCNSZKPVLGJ-ZYHUDNBSSA-N 1 2 235.331 1.784 20 0 BDADLO CC(C)(C(=O)NC1CCC1)c1c[nH]c[nH+]1 ZINC000621860121 370569656 /nfs/dbraw/zinc/56/96/56/370569656.db2.gz ABXPSTMNSRWPGU-UHFFFAOYSA-N 1 2 207.277 1.356 20 0 BDADLO CCOC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621961642 370624068 /nfs/dbraw/zinc/62/40/68/370624068.db2.gz OSCCCHRIBLCSOE-VIFPVBQESA-N 1 2 239.319 1.229 20 0 BDADLO CC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621974928 370631166 /nfs/dbraw/zinc/63/11/66/370631166.db2.gz MGAUDISJNDEMEN-UHFFFAOYSA-N 1 2 207.277 1.166 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cncnc2)c[nH+]1 ZINC000622667662 371046958 /nfs/dbraw/zinc/04/69/58/371046958.db2.gz OOJOZFQGHDQCCN-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO CSCCCNC(=O)CCCn1cc[nH+]c1 ZINC000123611387 371089384 /nfs/dbraw/zinc/08/93/84/371089384.db2.gz ONTODVAIRGVVFS-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO CSCC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000154616069 371134240 /nfs/dbraw/zinc/13/42/40/371134240.db2.gz FOGJKVQHYQUHMJ-SECBINFHSA-N 1 2 227.333 1.311 20 0 BDADLO C/C=C\CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000623908628 371151098 /nfs/dbraw/zinc/15/10/98/371151098.db2.gz JTQUOKPZPIIIMQ-ZMWSMAPVSA-N 1 2 234.303 1.073 20 0 BDADLO CC[N@H+](Cc1ccoc1)Cc1cc(=O)c(O)co1 ZINC000124381437 371186037 /nfs/dbraw/zinc/18/60/37/371186037.db2.gz FTORBGWNHGAEON-UHFFFAOYSA-N 1 2 249.266 1.961 20 0 BDADLO CC[N@@H+](Cc1ccoc1)Cc1cc(=O)c(O)co1 ZINC000124381437 371186040 /nfs/dbraw/zinc/18/60/40/371186040.db2.gz FTORBGWNHGAEON-UHFFFAOYSA-N 1 2 249.266 1.961 20 0 BDADLO c1cc(C[NH2+]Cc2cc[nH]n2)n(CC2CCC2)n1 ZINC000631067823 371281774 /nfs/dbraw/zinc/28/17/74/371281774.db2.gz STKASCHGJXKIBB-UHFFFAOYSA-N 1 2 245.330 1.696 20 0 BDADLO CCCCc1cc(NC[C@@H](C)CO)nc[nH+]1 ZINC000631071394 371321738 /nfs/dbraw/zinc/32/17/38/371321738.db2.gz LMXJKFTXHMNBCE-SNVBAGLBSA-N 1 2 223.320 1.281 20 0 BDADLO C/C=C/CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000624166276 371360550 /nfs/dbraw/zinc/36/05/50/371360550.db2.gz VBNULNJSMNWHIH-HIHHVFROSA-N 1 2 234.303 1.764 20 0 BDADLO CCC(F)(F)CNc1[nH+]cnc2c1cnn2C ZINC000624560095 371539754 /nfs/dbraw/zinc/53/97/54/371539754.db2.gz NYTCQBAYHVDVKK-UHFFFAOYSA-N 1 2 241.245 1.821 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000624397138 371499163 /nfs/dbraw/zinc/49/91/63/371499163.db2.gz PVSDQOHDGADCDL-UWVGGRQHSA-N 1 2 236.315 1.543 20 0 BDADLO C[C@@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCOC1 ZINC000627369912 371587612 /nfs/dbraw/zinc/58/76/12/371587612.db2.gz HNTVEDYXOAJYBG-CYBMUJFWSA-N 1 2 249.314 1.111 20 0 BDADLO C[C@@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCOC1 ZINC000627369912 371587615 /nfs/dbraw/zinc/58/76/15/371587615.db2.gz HNTVEDYXOAJYBG-CYBMUJFWSA-N 1 2 249.314 1.111 20 0 BDADLO O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCc2[nH]c[nH+]c2C1 ZINC000627373073 371592746 /nfs/dbraw/zinc/59/27/46/371592746.db2.gz GONBUTGQXYFMLD-GMTAPVOTSA-N 1 2 245.326 1.731 20 0 BDADLO O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCc2[nH+]c[nH]c2C1 ZINC000627373073 371592753 /nfs/dbraw/zinc/59/27/53/371592753.db2.gz GONBUTGQXYFMLD-GMTAPVOTSA-N 1 2 245.326 1.731 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](CO)CC1 ZINC000294400362 181834624 /nfs/dbraw/zinc/83/46/24/181834624.db2.gz DNDNFKUQZJACKV-PGLGOXFNSA-N 1 2 249.314 1.044 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(Br)n1 ZINC000306562606 372037223 /nfs/dbraw/zinc/03/72/23/372037223.db2.gz ULAHVUVKEHEBCT-UHFFFAOYSA-N 1 2 241.092 1.427 20 0 BDADLO CCCCc1cc(NCC2(CCO)CC2)nc[nH+]1 ZINC000631218474 372241938 /nfs/dbraw/zinc/24/19/38/372241938.db2.gz CGIWFWCBSYFJRF-UHFFFAOYSA-N 1 2 249.358 1.816 20 0 BDADLO COC[C@@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000631203377 372233420 /nfs/dbraw/zinc/23/34/20/372233420.db2.gz NVZJPLPILQQQFQ-SECBINFHSA-N 1 2 209.293 1.594 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn(C)nn2)c(F)c1 ZINC000631109805 372202892 /nfs/dbraw/zinc/20/28/92/372202892.db2.gz DAKFJJVGKUAXJG-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000631131292 372204524 /nfs/dbraw/zinc/20/45/24/372204524.db2.gz UYFLFNVTPMCVCC-HBNTYKKESA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000631131292 372204528 /nfs/dbraw/zinc/20/45/28/372204528.db2.gz UYFLFNVTPMCVCC-HBNTYKKESA-N 1 2 247.346 1.973 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)[C@@H](O)C(F)(F)F ZINC000631236784 372255575 /nfs/dbraw/zinc/25/55/75/372255575.db2.gz QEPOZKJRAJDFCW-IYSWYEEDSA-N 1 2 224.182 1.076 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000631294364 372280503 /nfs/dbraw/zinc/28/05/03/372280503.db2.gz LAZYJDBTMFCESV-CKYFFXLPSA-N 1 2 248.326 1.818 20 0 BDADLO Cc1nc(N2Cc3cccc(F)c3C2)nc(N)[nH+]1 ZINC000631298352 372283827 /nfs/dbraw/zinc/28/38/27/372283827.db2.gz HBWBSZPQUFQUGR-UHFFFAOYSA-N 1 2 245.261 1.252 20 0 BDADLO Cc1nc(N)nc(N2Cc3cccc(F)c3C2)[nH+]1 ZINC000631298352 372283831 /nfs/dbraw/zinc/28/38/31/372283831.db2.gz HBWBSZPQUFQUGR-UHFFFAOYSA-N 1 2 245.261 1.252 20 0 BDADLO Cc1cc(NCc2nc(C(F)F)no2)nc[nH+]1 ZINC000631308090 372288473 /nfs/dbraw/zinc/28/84/73/372288473.db2.gz ZZZYSFQSQKZODJ-UHFFFAOYSA-N 1 2 241.201 1.140 20 0 BDADLO Cc1nc(N2CCC[C@H](C3CCC3)C2)nc(N)[nH+]1 ZINC000631371282 372319634 /nfs/dbraw/zinc/31/96/34/372319634.db2.gz CFCBAHUZERSUFM-NSHDSACASA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@H](C3CCC3)C2)[nH+]1 ZINC000631371282 372319639 /nfs/dbraw/zinc/31/96/39/372319639.db2.gz CFCBAHUZERSUFM-NSHDSACASA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N(C)C[C@H]2CC2(C)C)nc(N)[nH+]1 ZINC000631386365 372329626 /nfs/dbraw/zinc/32/96/26/372329626.db2.gz WJYRVBPJFGWKBM-MRVPVSSYSA-N 1 2 221.308 1.075 20 0 BDADLO Cc1nc(N)nc(N(C)C[C@H]2CC2(C)C)[nH+]1 ZINC000631386365 372329630 /nfs/dbraw/zinc/32/96/30/372329630.db2.gz WJYRVBPJFGWKBM-MRVPVSSYSA-N 1 2 221.308 1.075 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCCC12CC2 ZINC000631420997 372352468 /nfs/dbraw/zinc/35/24/68/372352468.db2.gz XIQZPFSZBYIWRF-QMMMGPOBSA-N 1 2 234.303 1.812 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCCC12CC2 ZINC000631420997 372352475 /nfs/dbraw/zinc/35/24/75/372352475.db2.gz XIQZPFSZBYIWRF-QMMMGPOBSA-N 1 2 234.303 1.812 20 0 BDADLO CCC[C@@H](CCO)Nc1cc(C)[nH+]cn1 ZINC000631428068 372357923 /nfs/dbraw/zinc/35/79/23/372357923.db2.gz ZZIOSVCAQAVTLE-JTQLQIEISA-N 1 2 209.293 1.748 20 0 BDADLO COc1ccc[nH+]c1NCC[C@H](O)C(F)F ZINC000631459868 372374382 /nfs/dbraw/zinc/37/43/82/372374382.db2.gz JFZOMIKZKQYRRR-ZETCQYMHSA-N 1 2 232.230 1.518 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@]23C[C@@H]2CCCC3)[nH+]1 ZINC000631476196 372384786 /nfs/dbraw/zinc/38/47/86/372384786.db2.gz PSZSZBPRHBCNRB-GWCFXTLKSA-N 1 2 247.346 1.991 20 0 BDADLO Cc1nc(N[C@@]23C[C@@H]2CCCC3)nc(N(C)C)[nH+]1 ZINC000631476196 372384791 /nfs/dbraw/zinc/38/47/91/372384791.db2.gz PSZSZBPRHBCNRB-GWCFXTLKSA-N 1 2 247.346 1.991 20 0 BDADLO CN(c1cccc[nH+]1)[C@@H]1CCCCN(C)C1=O ZINC000631479703 372386001 /nfs/dbraw/zinc/38/60/01/372386001.db2.gz WOVHKNVBTUNWMU-LLVKDONJSA-N 1 2 233.315 1.529 20 0 BDADLO O=C(CCCCO)NCc1ccn2cc[nH+]c2c1 ZINC000631822005 372597435 /nfs/dbraw/zinc/59/74/35/372597435.db2.gz PVSBBFZDGOBYLY-UHFFFAOYSA-N 1 2 247.298 1.113 20 0 BDADLO O=C(CCc1cscn1)NCc1[nH]cc[nH+]1 ZINC000357567339 181940640 /nfs/dbraw/zinc/94/06/40/181940640.db2.gz NAEUEGZZRBLCES-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO Cc1conc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000631911092 372693225 /nfs/dbraw/zinc/69/32/25/372693225.db2.gz VQTIGIMVXJECLV-UHFFFAOYSA-N 1 2 248.286 1.342 20 0 BDADLO CN1CC[C@@H]([N@H+](C)Cc2ccccc2F)C1=O ZINC000172017592 372857822 /nfs/dbraw/zinc/85/78/22/372857822.db2.gz XPTOXPNVQFDUBL-GFCCVEGCSA-N 1 2 236.290 1.488 20 0 BDADLO CN1CC[C@@H]([N@@H+](C)Cc2ccccc2F)C1=O ZINC000172017592 372857829 /nfs/dbraw/zinc/85/78/29/372857829.db2.gz XPTOXPNVQFDUBL-GFCCVEGCSA-N 1 2 236.290 1.488 20 0 BDADLO O=C(C[C@@H]1CCCCO1)N1CCn2c[nH+]cc2C1 ZINC000290975763 182017016 /nfs/dbraw/zinc/01/70/16/182017016.db2.gz UTTKTKJSULKSER-LBPRGKRZSA-N 1 2 249.314 1.185 20 0 BDADLO O=C(C[C@@H]1COCC[N@@H+]1CC1CC1)c1ccco1 ZINC000120975050 182021727 /nfs/dbraw/zinc/02/17/27/182021727.db2.gz UVMQBUTWADLKQQ-GFCCVEGCSA-N 1 2 249.310 1.963 20 0 BDADLO O=C(C[C@@H]1COCC[N@H+]1CC1CC1)c1ccco1 ZINC000120975050 182021730 /nfs/dbraw/zinc/02/17/30/182021730.db2.gz UVMQBUTWADLKQQ-GFCCVEGCSA-N 1 2 249.310 1.963 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@H]2C)n1C ZINC000172588944 373013512 /nfs/dbraw/zinc/01/35/12/373013512.db2.gz IFSIGPHDXRJHHP-MRVPVSSYSA-N 1 2 226.349 1.061 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@H]2C)n1C ZINC000172588944 373013521 /nfs/dbraw/zinc/01/35/21/373013521.db2.gz IFSIGPHDXRJHHP-MRVPVSSYSA-N 1 2 226.349 1.061 20 0 BDADLO CCN(C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000632758250 373127941 /nfs/dbraw/zinc/12/79/41/373127941.db2.gz ZLERKJXGWIZTSP-UHFFFAOYSA-N 1 2 224.308 1.692 20 0 BDADLO C[C@@H]1[C@H](Nc2cccc[nH+]2)CCS1(=O)=O ZINC000380298704 373178907 /nfs/dbraw/zinc/17/89/07/373178907.db2.gz DEWZTIYQUKTOOY-RKDXNWHRSA-N 1 2 226.301 1.069 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]1C(F)F ZINC000633248415 373408500 /nfs/dbraw/zinc/40/85/00/373408500.db2.gz SXJGDCRTAOVDMK-MRVPVSSYSA-N 1 2 229.230 1.139 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1C(F)F ZINC000633240177 373396143 /nfs/dbraw/zinc/39/61/43/373396143.db2.gz VGVXTJSJJVHASE-IONNQARKSA-N 1 2 243.257 1.454 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1C(F)F ZINC000633240177 373396151 /nfs/dbraw/zinc/39/61/51/373396151.db2.gz VGVXTJSJJVHASE-IONNQARKSA-N 1 2 243.257 1.454 20 0 BDADLO CC/C=C\CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633277318 373438268 /nfs/dbraw/zinc/43/82/68/373438268.db2.gz VMIBYQNBUYSHME-PLNGDYQASA-N 1 2 222.292 1.517 20 0 BDADLO C[N@@H+]1CCC[C@@H](NCc2cccc3c2OCO3)C1 ZINC000040672754 373591381 /nfs/dbraw/zinc/59/13/81/373591381.db2.gz DHGZWONKTLQCAE-GFCCVEGCSA-N 1 2 248.326 1.599 20 0 BDADLO C[N@H+]1CCC[C@@H](NCc2cccc3c2OCO3)C1 ZINC000040672754 373591385 /nfs/dbraw/zinc/59/13/85/373591385.db2.gz DHGZWONKTLQCAE-GFCCVEGCSA-N 1 2 248.326 1.599 20 0 BDADLO Cc1cccn2c(NC(=O)C3CSC3)c[nH+]c12 ZINC000633634310 373646367 /nfs/dbraw/zinc/64/63/67/373646367.db2.gz HLEUENFHELSVIQ-UHFFFAOYSA-N 1 2 247.323 1.944 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC000633604077 373620000 /nfs/dbraw/zinc/62/00/00/373620000.db2.gz ZGOHHIQSBUZBEM-YPMHNXCESA-N 1 2 249.314 1.327 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC000633604077 373620002 /nfs/dbraw/zinc/62/00/02/373620002.db2.gz ZGOHHIQSBUZBEM-YPMHNXCESA-N 1 2 249.314 1.327 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccccc1O ZINC000011639239 182179219 /nfs/dbraw/zinc/17/92/19/182179219.db2.gz XRXQZLUULGYMHU-UHFFFAOYSA-N 1 2 245.282 1.409 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1cncs1 ZINC000298056380 182179248 /nfs/dbraw/zinc/17/92/48/182179248.db2.gz CTPBRJRTRKRVCG-UHFFFAOYSA-N 1 2 236.300 1.160 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC12CCCC2 ZINC000354385505 182176642 /nfs/dbraw/zinc/17/66/42/182176642.db2.gz MLWUWHVNNVBFRD-LBPRGKRZSA-N 1 2 247.342 1.970 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1cncs1 ZINC000357721170 182189359 /nfs/dbraw/zinc/18/93/59/182189359.db2.gz AWBLXVRTKAFOBF-UHFFFAOYSA-N 1 2 248.311 1.380 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cc[nH]c1C1CC1 ZINC000339849352 182216914 /nfs/dbraw/zinc/21/69/14/182216914.db2.gz AUDSBZDTHSDKHC-UHFFFAOYSA-N 1 2 244.298 1.519 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCSC1 ZINC000352708728 182217552 /nfs/dbraw/zinc/21/75/52/182217552.db2.gz XLYQDWHLOYNENX-JTQLQIEISA-N 1 2 239.344 1.143 20 0 BDADLO C[C@H](CC(F)(F)F)[NH+]1CCC(=O)CC1 ZINC000143163833 374140205 /nfs/dbraw/zinc/14/02/05/374140205.db2.gz YWEZPWKOJVDFRJ-SSDOTTSWSA-N 1 2 209.211 1.992 20 0 BDADLO Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC000634313333 374166183 /nfs/dbraw/zinc/16/61/83/374166183.db2.gz XMUWYXRGDZUVFU-SECBINFHSA-N 1 2 247.298 1.806 20 0 BDADLO Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC000634313333 374166187 /nfs/dbraw/zinc/16/61/87/374166187.db2.gz XMUWYXRGDZUVFU-SECBINFHSA-N 1 2 247.298 1.806 20 0 BDADLO CC1(F)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000634360224 374200364 /nfs/dbraw/zinc/20/03/64/374200364.db2.gz FEZVZDCNMPQRKY-UHFFFAOYSA-N 1 2 239.294 1.693 20 0 BDADLO CC1(F)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000634360224 374200367 /nfs/dbraw/zinc/20/03/67/374200367.db2.gz FEZVZDCNMPQRKY-UHFFFAOYSA-N 1 2 239.294 1.693 20 0 BDADLO O=C(NC[C@H]1CCn2cc[nH+]c2C1)NC1CCC1 ZINC000372535289 182245758 /nfs/dbraw/zinc/24/57/58/182245758.db2.gz TWDQYMTYZFMNCT-JTQLQIEISA-N 1 2 248.330 1.297 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC(F)(F)F ZINC000194061232 206002290 /nfs/dbraw/zinc/00/22/90/206002290.db2.gz KTBQPRQWENNAIM-UHFFFAOYSA-N 1 2 233.193 1.172 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@@H]1C1CC1 ZINC000333449131 182273981 /nfs/dbraw/zinc/27/39/81/182273981.db2.gz NGYGJQFFKLIGKF-BDAKNGLRSA-N 1 2 205.261 1.072 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000246706025 374289451 /nfs/dbraw/zinc/28/94/51/374289451.db2.gz KYGGDPSYQRMTQF-RKDXNWHRSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000246706025 374289458 /nfs/dbraw/zinc/28/94/58/374289458.db2.gz KYGGDPSYQRMTQF-RKDXNWHRSA-N 1 2 209.293 1.998 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1=CCCCC1 ZINC000275835848 182272415 /nfs/dbraw/zinc/27/24/15/182272415.db2.gz TVLPKDQHIUEFBK-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO O[C@@H](C[NH+]1CC(O)(C(F)F)C1)C1CCCCC1 ZINC000424128839 206031428 /nfs/dbraw/zinc/03/14/28/206031428.db2.gz CMYTZTMLBONTBW-JTQLQIEISA-N 1 2 249.301 1.239 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000440487609 206078762 /nfs/dbraw/zinc/07/87/62/206078762.db2.gz LEHYUVMETUSEHC-JTQLQIEISA-N 1 2 216.300 1.289 20 0 BDADLO CC[C@H](F)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000440487609 206078766 /nfs/dbraw/zinc/07/87/66/206078766.db2.gz LEHYUVMETUSEHC-JTQLQIEISA-N 1 2 216.300 1.289 20 0 BDADLO CCNC(=O)N1CC[NH+](C[C@H](F)CC)CC1 ZINC000440698691 206079750 /nfs/dbraw/zinc/07/97/50/206079750.db2.gz ZPZMVXICGAJMFK-SNVBAGLBSA-N 1 2 231.315 1.082 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=COCCC1 ZINC000371350008 182312455 /nfs/dbraw/zinc/31/24/55/182312455.db2.gz OSGWGKCBFKJAQH-SNVBAGLBSA-N 1 2 247.298 1.078 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=COCCC1 ZINC000371350008 182312457 /nfs/dbraw/zinc/31/24/57/182312457.db2.gz OSGWGKCBFKJAQH-SNVBAGLBSA-N 1 2 247.298 1.078 20 0 BDADLO O=C(N[C@H]1CC[C@H](F)C1)c1ccc2[nH+]ccn2c1 ZINC000334144222 182339489 /nfs/dbraw/zinc/33/94/89/182339489.db2.gz GUVQITOTXMZEIY-QWRGUYRKSA-N 1 2 247.273 1.955 20 0 BDADLO O=C(N[C@H]1CC[C@@H](F)C1)c1ccc2[nH+]ccn2c1 ZINC000334144221 182339562 /nfs/dbraw/zinc/33/95/62/182339562.db2.gz GUVQITOTXMZEIY-MNOVXSKESA-N 1 2 247.273 1.955 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000332801573 182342925 /nfs/dbraw/zinc/34/29/25/182342925.db2.gz YBZMCFZIWRAPGF-QISWUMQESA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000332801573 182342926 /nfs/dbraw/zinc/34/29/26/182342926.db2.gz YBZMCFZIWRAPGF-QISWUMQESA-N 1 2 245.326 1.429 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1nnc(C)[nH]1 ZINC000459702711 206138377 /nfs/dbraw/zinc/13/83/77/206138377.db2.gz FRGJNZTWAIKNNB-NSHDSACASA-N 1 2 238.335 1.504 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000459702711 206138378 /nfs/dbraw/zinc/13/83/78/206138378.db2.gz FRGJNZTWAIKNNB-NSHDSACASA-N 1 2 238.335 1.504 20 0 BDADLO FC(F)C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000459540503 206132585 /nfs/dbraw/zinc/13/25/85/206132585.db2.gz DYNLWUHEOJDDRA-UHFFFAOYSA-N 1 2 238.241 1.826 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1cncnc1 ZINC000354794283 182374493 /nfs/dbraw/zinc/37/44/93/182374493.db2.gz HOWWCOCKTJGYBQ-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccccn1 ZINC000355301712 182384846 /nfs/dbraw/zinc/38/48/46/182384846.db2.gz DNTSEODPTAEQII-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000280753850 182384928 /nfs/dbraw/zinc/38/49/28/182384928.db2.gz LIOSCWBJMNORIW-SNVBAGLBSA-N 1 2 231.255 1.452 20 0 BDADLO OC1(C(F)F)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000336269679 183015770 /nfs/dbraw/zinc/01/57/70/183015770.db2.gz ZWQSKIIBSQOSTH-UHFFFAOYSA-N 1 2 231.246 1.002 20 0 BDADLO OC1(C[NH2+]Cc2ccn[nH]2)Cc2ccccc2C1 ZINC000377780633 183020677 /nfs/dbraw/zinc/02/06/77/183020677.db2.gz ZECOFBYXUHFUKR-UHFFFAOYSA-N 1 2 243.310 1.029 20 0 BDADLO OC1(c2ccc(F)cc2)C[NH+](Cc2cc[nH]c2)C1 ZINC000365668066 183023463 /nfs/dbraw/zinc/02/34/63/183023463.db2.gz XHYGJOMWZMPWQJ-UHFFFAOYSA-N 1 2 246.285 1.857 20 0 BDADLO OCC1(Nc2cccc(-n3cc[nH+]c3)n2)CCC1 ZINC000367687129 183039190 /nfs/dbraw/zinc/03/91/90/183039190.db2.gz WKOYFHOYJCOAHZ-UHFFFAOYSA-N 1 2 244.298 1.594 20 0 BDADLO OCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846473 183057066 /nfs/dbraw/zinc/05/70/66/183057066.db2.gz YBLHRIZFAJBZNF-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846473 183057069 /nfs/dbraw/zinc/05/70/69/183057069.db2.gz YBLHRIZFAJBZNF-ZDUSSCGKSA-N 1 2 239.290 1.581 20 0 BDADLO OCC[N@H+](Cc1cocn1)Cc1ccccc1 ZINC000191919731 183070763 /nfs/dbraw/zinc/07/07/63/183070763.db2.gz WCNKXLCBJILPPG-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO OCC[N@@H+](Cc1cocn1)Cc1ccccc1 ZINC000191919731 183070766 /nfs/dbraw/zinc/07/07/66/183070766.db2.gz WCNKXLCBJILPPG-UHFFFAOYSA-N 1 2 232.283 1.669 20 0 BDADLO OCC[N@H+](Cc1csnn1)C1CCCC1 ZINC000127905262 183071044 /nfs/dbraw/zinc/07/10/44/183071044.db2.gz KMMJLFZNGICWFF-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OCC[N@@H+](Cc1csnn1)C1CCCC1 ZINC000127905262 183071045 /nfs/dbraw/zinc/07/10/45/183071045.db2.gz KMMJLFZNGICWFF-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OCC[NH+]1CCN(CCCC2CCCC2)CC1 ZINC000304434827 183074809 /nfs/dbraw/zinc/07/48/09/183074809.db2.gz RJAVVFKJIVNPPB-UHFFFAOYSA-N 1 2 240.391 1.567 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000177703061 183076173 /nfs/dbraw/zinc/07/61/73/183076173.db2.gz NAPAOQUBIVHXHS-LBPRGKRZSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000177703061 183076176 /nfs/dbraw/zinc/07/61/76/183076176.db2.gz NAPAOQUBIVHXHS-LBPRGKRZSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267642329 183077107 /nfs/dbraw/zinc/07/71/07/183077107.db2.gz AEPBVSHZQGSKIM-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO OCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267642329 183077108 /nfs/dbraw/zinc/07/71/08/183077108.db2.gz AEPBVSHZQGSKIM-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO OC[C@@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000374105945 183115596 /nfs/dbraw/zinc/11/55/96/183115596.db2.gz JXNRJPOMGTXELO-LLVKDONJSA-N 1 2 206.289 1.680 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H](CC)OC)C(=O)OC ZINC000309389567 169012101 /nfs/dbraw/zinc/01/21/01/169012101.db2.gz SSASHZDKJMYDMK-QWRGUYRKSA-N 1 2 231.336 1.733 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncccn1)c1ccc(F)cc1 ZINC000361748292 183109446 /nfs/dbraw/zinc/10/94/46/183109446.db2.gz QSAUZINBUDBDAT-GFCCVEGCSA-N 1 2 247.273 1.439 20 0 BDADLO OC[C@@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC000062996122 183111026 /nfs/dbraw/zinc/11/10/26/183111026.db2.gz QCPCTMJZTWZSCO-ZDUSSCGKSA-N 1 2 236.315 1.052 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000336481246 183133950 /nfs/dbraw/zinc/13/39/50/183133950.db2.gz VEMVFHNJMXHPBJ-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000336481246 183133952 /nfs/dbraw/zinc/13/39/52/183133952.db2.gz VEMVFHNJMXHPBJ-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000063218639 183138388 /nfs/dbraw/zinc/13/83/88/183138388.db2.gz PFHQMZFSKHRCFL-ZDUSSCGKSA-N 1 2 231.299 1.103 20 0 BDADLO OC[C@H]([NH2+]Cc1ncc[nH]1)c1ccsc1 ZINC000308947732 183140723 /nfs/dbraw/zinc/14/07/23/183140723.db2.gz SXTKUQOGMHQRCK-VIFPVBQESA-N 1 2 223.301 1.294 20 0 BDADLO CCCCc1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000336709769 169030924 /nfs/dbraw/zinc/03/09/24/169030924.db2.gz PXHDVTUDJGGYEQ-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000336709769 169030925 /nfs/dbraw/zinc/03/09/25/169030925.db2.gz PXHDVTUDJGGYEQ-NXEZZACHSA-N 1 2 239.319 1.367 20 0 BDADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)C(F)(F)F ZINC000264675913 183182378 /nfs/dbraw/zinc/18/23/78/183182378.db2.gz VNBGJJRFKUOZOA-ZETCQYMHSA-N 1 2 247.220 1.689 20 0 BDADLO O[C@@H](CC1CCCC1)C[NH+]1CC(OC(F)F)C1 ZINC000352881138 183173012 /nfs/dbraw/zinc/17/30/12/183173012.db2.gz CFJWHJWJEOUDMR-JTQLQIEISA-N 1 2 249.301 1.851 20 0 BDADLO O[C@@H](C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)C(F)(F)F ZINC000278580675 183175435 /nfs/dbraw/zinc/17/54/35/183175435.db2.gz KEBDWQYGESHIFU-BDAKNGLRSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H](C[N@H+]1CCC[C@@H]1c1cc[nH]n1)C(F)(F)F ZINC000278580675 183175437 /nfs/dbraw/zinc/17/54/37/183175437.db2.gz KEBDWQYGESHIFU-BDAKNGLRSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000266302539 183196070 /nfs/dbraw/zinc/19/60/70/183196070.db2.gz YWJRKIBPFZFYRG-GHMZBOCLSA-N 1 2 233.315 1.927 20 0 BDADLO O[C@@H]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000276928373 183202102 /nfs/dbraw/zinc/20/21/02/183202102.db2.gz PNEXSKIRDDDGGG-MWLCHTKSSA-N 1 2 233.315 1.927 20 0 BDADLO O[C@@H]1C[NH+](Cc2cc(F)cc(Cl)c2)C[C@H]1O ZINC000278353410 183206556 /nfs/dbraw/zinc/20/65/56/183206556.db2.gz ITRHYBDNTNCUQQ-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373582575 169059484 /nfs/dbraw/zinc/05/94/84/169059484.db2.gz NQGBCXWIZJQPBI-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CCCN(C)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000271234884 169089358 /nfs/dbraw/zinc/08/93/58/169089358.db2.gz ZSYYUDRNDLLIIH-UHFFFAOYSA-N 1 2 237.351 1.907 20 0 BDADLO CCCN(C)c1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000271234884 169089360 /nfs/dbraw/zinc/08/93/60/169089360.db2.gz ZSYYUDRNDLLIIH-UHFFFAOYSA-N 1 2 237.351 1.907 20 0 BDADLO CCC[N@H+](C/C=C/Cl)CC(=O)OC ZINC000050065762 169090156 /nfs/dbraw/zinc/09/01/56/169090156.db2.gz IJRSGBKAUVHTHK-SNAWJCMRSA-N 1 2 205.685 1.624 20 0 BDADLO CCC[N@@H+](C/C=C/Cl)CC(=O)OC ZINC000050065762 169090159 /nfs/dbraw/zinc/09/01/59/169090159.db2.gz IJRSGBKAUVHTHK-SNAWJCMRSA-N 1 2 205.685 1.624 20 0 BDADLO CCC[N@H+](C/C=C/Cl)[C@H]1CC(=O)N(C)C1=O ZINC000282436463 169090595 /nfs/dbraw/zinc/09/05/95/169090595.db2.gz HUXSDEFEGXGQBX-MOVJSRMASA-N 1 2 244.722 1.208 20 0 BDADLO CCC[N@@H+](C/C=C/Cl)[C@H]1CC(=O)N(C)C1=O ZINC000282436463 169090596 /nfs/dbraw/zinc/09/05/96/169090596.db2.gz HUXSDEFEGXGQBX-MOVJSRMASA-N 1 2 244.722 1.208 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1nc(C)cs1 ZINC000088579349 169094520 /nfs/dbraw/zinc/09/45/20/169094520.db2.gz PNSAMHZXSOTYHC-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1nc(C)cs1 ZINC000088579349 169094521 /nfs/dbraw/zinc/09/45/21/169094521.db2.gz PNSAMHZXSOTYHC-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000357803339 169111239 /nfs/dbraw/zinc/11/12/39/169111239.db2.gz IASGQPVZCGKHHS-UHFFFAOYSA-N 1 2 230.695 1.630 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000357803339 169111240 /nfs/dbraw/zinc/11/12/40/169111240.db2.gz IASGQPVZCGKHHS-UHFFFAOYSA-N 1 2 230.695 1.630 20 0 BDADLO CCCN(CC)C(=O)NCc1[nH+]ccn1CC ZINC000298023808 169113745 /nfs/dbraw/zinc/11/37/45/169113745.db2.gz GACBIDIHKQOZQI-UHFFFAOYSA-N 1 2 238.335 1.845 20 0 BDADLO O[C@H]1C[C@@H](Nc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000333657155 183247086 /nfs/dbraw/zinc/24/70/86/183247086.db2.gz GDJKOTHNAHDWJD-AOOOYVTPSA-N 1 2 245.326 1.200 20 0 BDADLO O[C@H]1c2ccccc2OC[C@H]1Nc1cccc[nH+]1 ZINC000377179493 183250681 /nfs/dbraw/zinc/25/06/81/183250681.db2.gz NKVHZNMLCIYQNH-RISCZKNCSA-N 1 2 242.278 1.988 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC3CC3)C2)[nH]1 ZINC000377483522 183306130 /nfs/dbraw/zinc/30/61/30/183306130.db2.gz DAMGDBPXGUGDKQ-SECBINFHSA-N 1 2 222.292 1.100 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000377483522 183306133 /nfs/dbraw/zinc/30/61/33/183306133.db2.gz DAMGDBPXGUGDKQ-SECBINFHSA-N 1 2 222.292 1.100 20 0 BDADLO Oc1cccc(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000378550978 183287385 /nfs/dbraw/zinc/28/73/85/183287385.db2.gz PIWOAITVXRIIEM-UHFFFAOYSA-N 1 2 230.271 1.041 20 0 BDADLO CCC[N@H+](CCO)Cc1noc(C(C)(C)C)n1 ZINC000047496470 169167263 /nfs/dbraw/zinc/16/72/63/169167263.db2.gz BDHIQXVSDQEVSN-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CCC[N@@H+](CCO)Cc1noc(C(C)(C)C)n1 ZINC000047496470 169167264 /nfs/dbraw/zinc/16/72/64/169167264.db2.gz BDHIQXVSDQEVSN-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CCC[N@H+](CCc1cnn(C)c1)CC(F)F ZINC000265799957 169170104 /nfs/dbraw/zinc/17/01/04/169170104.db2.gz BOPNGURCWVKEIM-UHFFFAOYSA-N 1 2 231.290 1.940 20 0 BDADLO CCC[N@@H+](CCc1cnn(C)c1)CC(F)F ZINC000265799957 169170105 /nfs/dbraw/zinc/17/01/05/169170105.db2.gz BOPNGURCWVKEIM-UHFFFAOYSA-N 1 2 231.290 1.940 20 0 BDADLO CCC[N@H+](Cc1noc(C)n1)CC(C)(C)O ZINC000336674040 169181333 /nfs/dbraw/zinc/18/13/33/169181333.db2.gz LAJULHGASAFACB-UHFFFAOYSA-N 1 2 227.308 1.361 20 0 BDADLO CCC[N@@H+](Cc1noc(C)n1)CC(C)(C)O ZINC000336674040 169181334 /nfs/dbraw/zinc/18/13/34/169181334.db2.gz LAJULHGASAFACB-UHFFFAOYSA-N 1 2 227.308 1.361 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCOCC3(CCCC3)C2)n1 ZINC000376324935 183325321 /nfs/dbraw/zinc/32/53/21/183325321.db2.gz OSKCTEAUUUNZOT-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO c1c[nH]c(C[N@H+]2CCOCC3(CCCC3)C2)n1 ZINC000376324935 183325322 /nfs/dbraw/zinc/32/53/22/183325322.db2.gz OSKCTEAUUUNZOT-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO c1cnn(-c2ccc(NCc3[nH]cc[nH+]3)cc2)n1 ZINC000049715358 183325896 /nfs/dbraw/zinc/32/58/96/183325896.db2.gz MGLXYFIFDOLYSY-UHFFFAOYSA-N 1 2 240.270 1.603 20 0 BDADLO c1c[nH+]c(COCCO[C@H]2CCCCO2)[nH]1 ZINC000288725415 183328348 /nfs/dbraw/zinc/32/83/48/183328348.db2.gz WFXRRKPQOQUJOI-NSHDSACASA-N 1 2 226.276 1.470 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](CCC3CC3)C2)[nH]1 ZINC000329614834 183307863 /nfs/dbraw/zinc/30/78/63/183307863.db2.gz DBIVNHGCDHVFIJ-JTQLQIEISA-N 1 2 236.319 1.490 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCC3CC3)C2)[nH]1 ZINC000329614834 183307867 /nfs/dbraw/zinc/30/78/67/183307867.db2.gz DBIVNHGCDHVFIJ-JTQLQIEISA-N 1 2 236.319 1.490 20 0 BDADLO c1cn2c(cccc2CN(C2CC2)C2COC2)[nH+]1 ZINC000295606699 183337778 /nfs/dbraw/zinc/33/77/78/183337778.db2.gz DGPSCNBSKHJFDG-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1csc(CC)n1 ZINC000049591178 169227862 /nfs/dbraw/zinc/22/78/62/169227862.db2.gz IGCYVNSZANTDJU-UHFFFAOYSA-N 1 2 241.360 1.321 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000336779555 169228860 /nfs/dbraw/zinc/22/88/60/169228860.db2.gz ORDNZAMWBLGVGJ-SSDOTTSWSA-N 1 2 242.348 1.023 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@]23CCOC3)cs1 ZINC000195011352 183343787 /nfs/dbraw/zinc/34/37/87/183343787.db2.gz BWGDZCIGLMINRO-LBPRGKRZSA-N 1 2 239.340 1.739 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@]23CCOC3)cs1 ZINC000195011352 183343791 /nfs/dbraw/zinc/34/37/91/183343791.db2.gz BWGDZCIGLMINRO-LBPRGKRZSA-N 1 2 239.340 1.739 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@]23CCOC3)ccn1 ZINC000193716590 183343865 /nfs/dbraw/zinc/34/38/65/183343865.db2.gz LHHLWEZAABNGRO-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@]23CCOC3)ccn1 ZINC000193716590 183343866 /nfs/dbraw/zinc/34/38/66/183343866.db2.gz LHHLWEZAABNGRO-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)on1 ZINC000334142706 183346486 /nfs/dbraw/zinc/34/64/86/183346486.db2.gz AYLJJAFYAAFTSZ-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H](C3CC3)C2)on1 ZINC000334142706 183346487 /nfs/dbraw/zinc/34/64/87/183346487.db2.gz AYLJJAFYAAFTSZ-NSHDSACASA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3c2OCO3)n[nH]1 ZINC000040667155 183351821 /nfs/dbraw/zinc/35/18/21/183351821.db2.gz GOPMZJKYUPSTLR-UHFFFAOYSA-N 1 2 231.255 1.428 20 0 BDADLO c1cn2c(cccc2CNc2nnco2)[nH+]1 ZINC000309351265 183354784 /nfs/dbraw/zinc/35/47/84/183354784.db2.gz MTKXNXNDJRDNPE-UHFFFAOYSA-N 1 2 215.216 1.329 20 0 BDADLO c1nnnn1-c1ccc([NH2+]CC2CCC2)cc1 ZINC000149439266 183334835 /nfs/dbraw/zinc/33/48/35/183334835.db2.gz FLIAUHXAUAKRDL-UHFFFAOYSA-N 1 2 229.287 1.874 20 0 BDADLO CCCNC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375001934 169221458 /nfs/dbraw/zinc/22/14/58/169221458.db2.gz FKJHJBBPSVCJTO-SNVBAGLBSA-N 1 2 236.319 1.073 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc2c1OCC2 ZINC000366542680 183367641 /nfs/dbraw/zinc/36/76/41/183367641.db2.gz DILJMJXOSSPQRN-OCCSQVGLSA-N 1 2 231.295 1.595 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3C[C@H]32)cc2c1OCC2 ZINC000366542680 183367643 /nfs/dbraw/zinc/36/76/43/183367643.db2.gz DILJMJXOSSPQRN-OCCSQVGLSA-N 1 2 231.295 1.595 20 0 BDADLO c1c(C[NH+]2CCOCC2)[nH]nc1-c1ccccc1 ZINC000064551339 183379696 /nfs/dbraw/zinc/37/96/96/183379696.db2.gz KUDFABOEWXMBKT-UHFFFAOYSA-N 1 2 243.310 1.909 20 0 BDADLO CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000369976932 169244827 /nfs/dbraw/zinc/24/48/27/169244827.db2.gz YGXPLCQZXZJYIH-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000369976932 169244830 /nfs/dbraw/zinc/24/48/30/169244830.db2.gz YGXPLCQZXZJYIH-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCCOCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353017627 169306267 /nfs/dbraw/zinc/30/62/67/169306267.db2.gz XOTSAEAJSLLIAS-NSHDSACASA-N 1 2 239.319 1.062 20 0 BDADLO CCCOCC(=O)Nc1cc[nH+]cc1C ZINC000107284776 169309300 /nfs/dbraw/zinc/30/93/00/169309300.db2.gz BYIXFPLDNDXHRB-UHFFFAOYSA-N 1 2 208.261 1.755 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000045858221 169368312 /nfs/dbraw/zinc/36/83/12/169368312.db2.gz UZDVQNMYPPLNCS-ZJUUUORDSA-N 1 2 209.293 1.749 20 0 BDADLO CC[C@@H]1CCCC[N@@H+]1Cc1noc(COC)n1 ZINC000182391066 134345192 /nfs/dbraw/zinc/34/51/92/134345192.db2.gz HXGKNEIIRLOYDK-SNVBAGLBSA-N 1 2 239.319 1.981 20 0 BDADLO CC[C@@H]1CCCC[N@H+]1Cc1noc(COC)n1 ZINC000182391066 134345193 /nfs/dbraw/zinc/34/51/93/134345193.db2.gz HXGKNEIIRLOYDK-SNVBAGLBSA-N 1 2 239.319 1.981 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@H](CC(C)C)C(=O)OC ZINC000183869443 134356803 /nfs/dbraw/zinc/35/68/03/134356803.db2.gz MGFKDVBHEBNZKB-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000348150688 383910441 /nfs/dbraw/zinc/91/04/41/383910441.db2.gz ZJSZSJIEJSWEEV-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1csc(C[N@@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000088577043 383910650 /nfs/dbraw/zinc/91/06/50/383910650.db2.gz NHCTWWDLLCDVPN-SECBINFHSA-N 1 2 239.344 1.291 20 0 BDADLO Cc1csc(C[N@H+]2CCCC[C@@H]2C(N)=O)n1 ZINC000088577043 383910657 /nfs/dbraw/zinc/91/06/57/383910657.db2.gz NHCTWWDLLCDVPN-SECBINFHSA-N 1 2 239.344 1.291 20 0 BDADLO CCCn1ncnc1C[NH2+][C@@H](C)c1cccnc1 ZINC000088589282 383916075 /nfs/dbraw/zinc/91/60/75/383916075.db2.gz YBBBQEQEFLPFDE-NSHDSACASA-N 1 2 245.330 1.934 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C)oc1C ZINC000643611441 383928749 /nfs/dbraw/zinc/92/87/49/383928749.db2.gz MINGFVAHEVGPHC-UHFFFAOYSA-N 1 2 212.293 1.760 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C)oc1C ZINC000643611441 383928753 /nfs/dbraw/zinc/92/87/53/383928753.db2.gz MINGFVAHEVGPHC-UHFFFAOYSA-N 1 2 212.293 1.760 20 0 BDADLO Cc1cc(C)cc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088357756 383896160 /nfs/dbraw/zinc/89/61/60/383896160.db2.gz JPAYRCKBJYNUQZ-GFCCVEGCSA-N 1 2 234.299 1.230 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccnn1C)C(F)F ZINC000449364581 383991463 /nfs/dbraw/zinc/99/14/63/383991463.db2.gz SMQIWHPRYXJOFO-MRVPVSSYSA-N 1 2 203.236 1.553 20 0 BDADLO CCCn1nccc1NC(=O)Cc1c[nH+]cn1C ZINC000558415212 383994709 /nfs/dbraw/zinc/99/47/09/383994709.db2.gz JHVZYAHPXDQCLU-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO FC(F)Cn1ncnc1C[NH+]1C2CCC1CC2 ZINC000572696275 383996899 /nfs/dbraw/zinc/99/68/99/383996899.db2.gz GNHCKAIJWQBJOS-UHFFFAOYSA-N 1 2 242.273 1.670 20 0 BDADLO Cc1ccc(C[N@H+](C2CC2)C2COC2)nc1 ZINC000449352891 383936352 /nfs/dbraw/zinc/93/63/52/383936352.db2.gz YYTVOHFVOPMFNH-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccc(C[N@@H+](C2CC2)C2COC2)nc1 ZINC000449352891 383936357 /nfs/dbraw/zinc/93/63/57/383936357.db2.gz YYTVOHFVOPMFNH-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000112691005 383942070 /nfs/dbraw/zinc/94/20/70/383942070.db2.gz RXZWCUQNGBKYSV-SECBINFHSA-N 1 2 223.272 1.558 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000112691005 383942075 /nfs/dbraw/zinc/94/20/75/383942075.db2.gz RXZWCUQNGBKYSV-SECBINFHSA-N 1 2 223.272 1.558 20 0 BDADLO CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000113162683 383971176 /nfs/dbraw/zinc/97/11/76/383971176.db2.gz CRTKAYHVTHZQAS-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000113162683 383971184 /nfs/dbraw/zinc/97/11/84/383971184.db2.gz CRTKAYHVTHZQAS-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC1CC(C)(C)C1 ZINC000356534188 383974993 /nfs/dbraw/zinc/97/49/93/383974993.db2.gz UYHLRPMCMYXTKX-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO CO[C@@]1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492811610 533022231 /nfs/dbraw/zinc/02/22/31/533022231.db2.gz KTJBSCLRLLRCAJ-ZFDPJTLLSA-N 1 2 249.314 1.450 20 0 BDADLO COC[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000113355658 383977595 /nfs/dbraw/zinc/97/75/95/383977595.db2.gz GOGCYTJLJBQYPV-LBPRGKRZSA-N 1 2 231.299 1.887 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000569422183 384005914 /nfs/dbraw/zinc/00/59/14/384005914.db2.gz MLTCUYFHQOVZMO-ZETCQYMHSA-N 1 2 215.322 1.734 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000569422183 384005920 /nfs/dbraw/zinc/00/59/20/384005920.db2.gz MLTCUYFHQOVZMO-ZETCQYMHSA-N 1 2 215.322 1.734 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@H](C)COC(C)C)n1 ZINC000309395570 384010989 /nfs/dbraw/zinc/01/09/89/384010989.db2.gz VEHZWNNQNPGWDV-RKDXNWHRSA-N 1 2 227.308 1.842 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)[C@@H]1SC ZINC000309424562 384046130 /nfs/dbraw/zinc/04/61/30/384046130.db2.gz FDZKRBWLMMBIOO-KYXWUPHJSA-N 1 2 247.360 1.047 20 0 BDADLO CCOC[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000069277731 384039660 /nfs/dbraw/zinc/03/96/60/384039660.db2.gz CFZLSAJNADBWQP-CYBMUJFWSA-N 1 2 246.310 1.948 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566305210 384042420 /nfs/dbraw/zinc/04/24/20/384042420.db2.gz VHVUEQROPOJOIV-GMTAPVOTSA-N 1 2 221.304 1.749 20 0 BDADLO CSC[C@@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078296213 384061482 /nfs/dbraw/zinc/06/14/82/384061482.db2.gz HYNJOWXQAKMMQS-JTQLQIEISA-N 1 2 227.333 1.311 20 0 BDADLO CC[N@H+](CCOCC(F)(F)F)CC(=O)OC ZINC000049947551 384069557 /nfs/dbraw/zinc/06/95/57/384069557.db2.gz GAXKQRXVIIHBHP-UHFFFAOYSA-N 1 2 243.225 1.060 20 0 BDADLO CC[N@@H+](CCOCC(F)(F)F)CC(=O)OC ZINC000049947551 384069561 /nfs/dbraw/zinc/06/95/61/384069561.db2.gz GAXKQRXVIIHBHP-UHFFFAOYSA-N 1 2 243.225 1.060 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000049956408 384071126 /nfs/dbraw/zinc/07/11/26/384071126.db2.gz PZOCAYGRFRABNZ-MRVPVSSYSA-N 1 2 213.302 1.741 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC000049956408 384071131 /nfs/dbraw/zinc/07/11/31/384071131.db2.gz PZOCAYGRFRABNZ-MRVPVSSYSA-N 1 2 213.302 1.741 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000332655880 384098724 /nfs/dbraw/zinc/09/87/24/384098724.db2.gz NKBHXCWSGJUBGK-UWVGGRQHSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@H]1CC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000332655880 384098729 /nfs/dbraw/zinc/09/87/29/384098729.db2.gz NKBHXCWSGJUBGK-UWVGGRQHSA-N 1 2 239.319 1.975 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1cc(C)[nH+]cn1 ZINC000050087707 384108548 /nfs/dbraw/zinc/10/85/48/384108548.db2.gz CXNFOBDQAHVXQB-MRVPVSSYSA-N 1 2 223.276 1.030 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@H](C)CCO ZINC000569502889 384135622 /nfs/dbraw/zinc/13/56/22/384135622.db2.gz LYVRGQBAKMYZOC-VIFPVBQESA-N 1 2 223.320 1.336 20 0 BDADLO CCc1cc(CNC(=O)CCc2[nH]cc[nH+]2)on1 ZINC000558551668 384154826 /nfs/dbraw/zinc/15/48/26/384154826.db2.gz BAXIUMOVUULMSS-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCO)o1 ZINC000116895593 384157558 /nfs/dbraw/zinc/15/75/58/384157558.db2.gz RWJHECZXWZGKPN-NSHDSACASA-N 1 2 225.288 1.344 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2CCCO)o1 ZINC000116895593 384157559 /nfs/dbraw/zinc/15/75/59/384157559.db2.gz RWJHECZXWZGKPN-NSHDSACASA-N 1 2 225.288 1.344 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000091772902 384142654 /nfs/dbraw/zinc/14/26/54/384142654.db2.gz OLMFQJNNQZESNW-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000091772902 384142660 /nfs/dbraw/zinc/14/26/60/384142660.db2.gz OLMFQJNNQZESNW-LLVKDONJSA-N 1 2 209.293 1.329 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1cccnc1 ZINC000070982213 384145907 /nfs/dbraw/zinc/14/59/07/384145907.db2.gz UECYMGLKQKGEEE-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccnc1 ZINC000070982213 384145908 /nfs/dbraw/zinc/14/59/08/384145908.db2.gz UECYMGLKQKGEEE-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370391466 384183804 /nfs/dbraw/zinc/18/38/04/384183804.db2.gz QYPVFKRPVPDHMX-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)Cc1ccccc1 ZINC000118390199 384198982 /nfs/dbraw/zinc/19/89/82/384198982.db2.gz ZIIWFRXUYRCZKD-UHFFFAOYSA-N 1 2 241.356 1.553 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000118390199 384198984 /nfs/dbraw/zinc/19/89/84/384198984.db2.gz ZIIWFRXUYRCZKD-UHFFFAOYSA-N 1 2 241.356 1.553 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000072980272 384239571 /nfs/dbraw/zinc/23/95/71/384239571.db2.gz AILJLHMUFXAGBM-NSHDSACASA-N 1 2 222.288 1.335 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000072980272 384239576 /nfs/dbraw/zinc/23/95/76/384239576.db2.gz AILJLHMUFXAGBM-NSHDSACASA-N 1 2 222.288 1.335 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000093158393 384217843 /nfs/dbraw/zinc/21/78/43/384217843.db2.gz GCAVTGFTOBQDKQ-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CCCCO1 ZINC000042822954 384247718 /nfs/dbraw/zinc/24/77/18/384247718.db2.gz ANIXFOSULYIIEC-SECBINFHSA-N 1 2 247.302 1.344 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132853660 384258891 /nfs/dbraw/zinc/25/88/91/384258891.db2.gz GCCUTIAZCWCYRW-MRVPVSSYSA-N 1 2 225.313 1.668 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132853660 384258896 /nfs/dbraw/zinc/25/88/96/384258896.db2.gz GCCUTIAZCWCYRW-MRVPVSSYSA-N 1 2 225.313 1.668 20 0 BDADLO CC[C@H]1CN(c2nc[nH+]c(N)c2Cl)CCO1 ZINC000234144029 384263719 /nfs/dbraw/zinc/26/37/19/384263719.db2.gz JLFCSNKJSOTTPN-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO CC[C@H]1CN(c2[nH+]cnc(N)c2Cl)CCO1 ZINC000234144029 384263723 /nfs/dbraw/zinc/26/37/23/384263723.db2.gz JLFCSNKJSOTTPN-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO COC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000049750622 384275663 /nfs/dbraw/zinc/27/56/63/384275663.db2.gz CIFHZZKGPGICLT-UHFFFAOYSA-N 1 2 245.282 1.819 20 0 BDADLO COC(=O)c1ccc(C[NH2+]CC(F)F)[nH]1 ZINC000147411339 384303928 /nfs/dbraw/zinc/30/39/28/384303928.db2.gz VSZHHXPTURQJAW-UHFFFAOYSA-N 1 2 218.203 1.156 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000304463990 384321163 /nfs/dbraw/zinc/32/11/63/384321163.db2.gz MQPNTZPVMLKEDE-SFYZADRCSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C)[C@@H](C)C2)[nH+]1 ZINC000304463990 384321165 /nfs/dbraw/zinc/32/11/65/384321165.db2.gz MQPNTZPVMLKEDE-SFYZADRCSA-N 1 2 221.308 1.245 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000335513141 384303701 /nfs/dbraw/zinc/30/37/01/384303701.db2.gz JUJPOGALLJICKP-NSHDSACASA-N 1 2 232.327 1.843 20 0 BDADLO Cc1cccc(CC[N@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000335513141 384303707 /nfs/dbraw/zinc/30/37/07/384303707.db2.gz JUJPOGALLJICKP-NSHDSACASA-N 1 2 232.327 1.843 20 0 BDADLO C[N@H+](CC(=O)NC1CCCC1)Cc1cccnc1 ZINC000120246420 384340060 /nfs/dbraw/zinc/34/00/60/384340060.db2.gz MAFGHUAYFRGEIZ-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO C[N@@H+](CC(=O)NC1CCCC1)Cc1cccnc1 ZINC000120246420 384340069 /nfs/dbraw/zinc/34/00/69/384340069.db2.gz MAFGHUAYFRGEIZ-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO C[N@H+](Cc1cscn1)CC1=CCCOC1 ZINC000120255257 384340788 /nfs/dbraw/zinc/34/07/88/384340788.db2.gz LTEWHKFUVQXRFX-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO C[N@@H+](Cc1cscn1)CC1=CCCOC1 ZINC000120255257 384340792 /nfs/dbraw/zinc/34/07/92/384340792.db2.gz LTEWHKFUVQXRFX-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccn(C)n1 ZINC000560821330 384373698 /nfs/dbraw/zinc/37/36/98/384373698.db2.gz LHOPDBMXAXUKAO-VIFPVBQESA-N 1 2 243.314 1.683 20 0 BDADLO Cc1c[nH+]c(CNC2(C(F)F)CC2)n1C ZINC000309174619 384345396 /nfs/dbraw/zinc/34/53/96/384345396.db2.gz MFBMSLWUSRTIJG-UHFFFAOYSA-N 1 2 215.247 1.616 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CCOCC3)C2)on1 ZINC000533483980 384365566 /nfs/dbraw/zinc/36/55/66/384365566.db2.gz WOMCXLWDAIOZRU-UHFFFAOYSA-N 1 2 238.287 1.056 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CCOCC3)C2)on1 ZINC000533483980 384365571 /nfs/dbraw/zinc/36/55/71/384365571.db2.gz WOMCXLWDAIOZRU-UHFFFAOYSA-N 1 2 238.287 1.056 20 0 BDADLO CC[N@H+](Cc1cccc2c1OCCO2)C1COC1 ZINC000449424601 384324368 /nfs/dbraw/zinc/32/43/68/384324368.db2.gz KIMPNVKFRVUDPC-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO CC[N@@H+](Cc1cccc2c1OCCO2)C1COC1 ZINC000449424601 384324375 /nfs/dbraw/zinc/32/43/75/384324375.db2.gz KIMPNVKFRVUDPC-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO CC1(CO)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000401950969 384331430 /nfs/dbraw/zinc/33/14/30/384331430.db2.gz MCSOTIVLBOQXHR-UHFFFAOYSA-N 1 2 236.315 1.173 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@]12C[C@H]1CCC2 ZINC000643352283 384403619 /nfs/dbraw/zinc/40/36/19/384403619.db2.gz ADODBYRKMRZMGM-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO CN(c1[nH]c2ccccc2[nH+]1)[C@H]1CCOC1 ZINC000134965123 384404909 /nfs/dbraw/zinc/40/49/09/384404909.db2.gz VBOIHIIEERFPOZ-VIFPVBQESA-N 1 2 217.272 1.788 20 0 BDADLO C[C@H]([NH2+]Cc1ccsc1)c1ncn(C)n1 ZINC000275832008 384418115 /nfs/dbraw/zinc/41/81/15/384418115.db2.gz ONDJEOSTKSXOIU-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1nnc(CC[NH2+][C@@H](C)c2nccs2)[nH]1 ZINC000134712442 384381391 /nfs/dbraw/zinc/38/13/91/384381391.db2.gz CNYGWXRNUQIWCD-ZETCQYMHSA-N 1 2 237.332 1.463 20 0 BDADLO Cc1ccc([C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000033894796 384386030 /nfs/dbraw/zinc/38/60/30/384386030.db2.gz MDANYNDEFRYQQC-LBPRGKRZSA-N 1 2 202.257 1.925 20 0 BDADLO C/C(=C/c1ccccc1)C[N@H+]1CCN(C)C(=O)C1 ZINC000255090491 384387122 /nfs/dbraw/zinc/38/71/22/384387122.db2.gz HRUBASMKKAENKB-RAXLEYEMSA-N 1 2 244.338 1.864 20 0 BDADLO C/C(=C/c1ccccc1)C[N@@H+]1CCN(C)C(=O)C1 ZINC000255090491 384387129 /nfs/dbraw/zinc/38/71/29/384387129.db2.gz HRUBASMKKAENKB-RAXLEYEMSA-N 1 2 244.338 1.864 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000160985205 384453298 /nfs/dbraw/zinc/45/32/98/384453298.db2.gz WDEORSFGICJVBJ-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000160985205 384453301 /nfs/dbraw/zinc/45/33/01/384453301.db2.gz WDEORSFGICJVBJ-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO COC(C[N@H+](C)Cc1cc(C)on1)OC ZINC000136738272 384506836 /nfs/dbraw/zinc/50/68/36/384506836.db2.gz XXDBHXGMXASWKD-UHFFFAOYSA-N 1 2 214.265 1.034 20 0 BDADLO COC(C[N@@H+](C)Cc1cc(C)on1)OC ZINC000136738272 384506842 /nfs/dbraw/zinc/50/68/42/384506842.db2.gz XXDBHXGMXASWKD-UHFFFAOYSA-N 1 2 214.265 1.034 20 0 BDADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)c(O)c1 ZINC000561091776 384491056 /nfs/dbraw/zinc/49/10/56/384491056.db2.gz NNKHFLJYVOJFJH-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO CC(C)(C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000300763755 384535196 /nfs/dbraw/zinc/53/51/96/384535196.db2.gz OMEQLFSCNCMBKU-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CC(C)(C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000300763755 384535202 /nfs/dbraw/zinc/53/52/02/384535202.db2.gz OMEQLFSCNCMBKU-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000183961843 384541779 /nfs/dbraw/zinc/54/17/79/384541779.db2.gz QHLIGVIQHCFFMQ-MNOVXSKESA-N 1 2 249.314 1.625 20 0 BDADLO C[C@H](C[N@H+](C)[C@@H]1CCOC1=O)c1nccs1 ZINC000183951461 384541965 /nfs/dbraw/zinc/54/19/65/384541965.db2.gz FSXXQLOXWACCOF-RKDXNWHRSA-N 1 2 240.328 1.494 20 0 BDADLO C[C@H](C[N@@H+](C)[C@@H]1CCOC1=O)c1nccs1 ZINC000183951461 384541968 /nfs/dbraw/zinc/54/19/68/384541968.db2.gz FSXXQLOXWACCOF-RKDXNWHRSA-N 1 2 240.328 1.494 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000290009463 384562772 /nfs/dbraw/zinc/56/27/72/384562772.db2.gz LUHUOUYKJQBLSZ-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO Nc1ncccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000290009463 384562780 /nfs/dbraw/zinc/56/27/80/384562780.db2.gz LUHUOUYKJQBLSZ-UHFFFAOYSA-N 1 2 233.315 1.419 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)F ZINC000271070783 384546892 /nfs/dbraw/zinc/54/68/92/384546892.db2.gz LIQISWMWLLLEFE-MRVPVSSYSA-N 1 2 213.256 1.136 20 0 BDADLO CC[C@H]1CN(c2cc(CO)cc[nH+]2)CCCO1 ZINC000305922162 384556617 /nfs/dbraw/zinc/55/66/17/384556617.db2.gz HKXSPVAKOXWPAS-LBPRGKRZSA-N 1 2 236.315 1.579 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151361254 384568142 /nfs/dbraw/zinc/56/81/42/384568142.db2.gz BZNFFSUKEBQXDN-SNVBAGLBSA-N 1 2 221.304 1.312 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](OC)C2)o1 ZINC000111218367 384580338 /nfs/dbraw/zinc/58/03/38/384580338.db2.gz ZJZWVVSLNQWDFS-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](OC)C2)o1 ZINC000111218367 384580348 /nfs/dbraw/zinc/58/03/48/384580348.db2.gz ZJZWVVSLNQWDFS-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO O=C1C[N@H+](C/C=C\c2ccccc2)CCN1 ZINC000212975925 384586897 /nfs/dbraw/zinc/58/68/97/384586897.db2.gz UYUGWJFZSOEPJT-DAXSKMNVSA-N 1 2 216.284 1.132 20 0 BDADLO O=C1C[N@@H+](C/C=C\c2ccccc2)CCN1 ZINC000212975925 384586910 /nfs/dbraw/zinc/58/69/10/384586910.db2.gz UYUGWJFZSOEPJT-DAXSKMNVSA-N 1 2 216.284 1.132 20 0 BDADLO Cc1nc(N(C)[C@H]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000302666951 384632545 /nfs/dbraw/zinc/63/25/45/384632545.db2.gz ZQOQMHUPJJYOSI-SCZZXKLOSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1nc(N)nc(N(C)[C@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000302666951 384632550 /nfs/dbraw/zinc/63/25/50/384632550.db2.gz ZQOQMHUPJJYOSI-SCZZXKLOSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000086110732 384607972 /nfs/dbraw/zinc/60/79/72/384607972.db2.gz XWLSLTMXZWLGJT-QMMMGPOBSA-N 1 2 222.288 1.702 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000086110732 384607982 /nfs/dbraw/zinc/60/79/82/384607982.db2.gz XWLSLTMXZWLGJT-QMMMGPOBSA-N 1 2 222.288 1.702 20 0 BDADLO Cc1cc(C[N@H+]2CCSC[C@H]2C)no1 ZINC000172593681 384609852 /nfs/dbraw/zinc/60/98/52/384609852.db2.gz BERKKUPVJINHAJ-MRVPVSSYSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1cc(C[N@@H+]2CCSC[C@H]2C)no1 ZINC000172593681 384609860 /nfs/dbraw/zinc/60/98/60/384609860.db2.gz BERKKUPVJINHAJ-MRVPVSSYSA-N 1 2 212.318 1.920 20 0 BDADLO CC[C@@](C)([NH2+]CCn1cc(C)cn1)C(=O)OC ZINC000428290629 384610870 /nfs/dbraw/zinc/61/08/70/384610870.db2.gz YZCOTCHNGGLRPP-GFCCVEGCSA-N 1 2 239.319 1.123 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(F)(F)F ZINC000569622363 384623490 /nfs/dbraw/zinc/62/34/90/384623490.db2.gz CMDMGQFLQXMYKP-NKWVEPMBSA-N 1 2 249.236 1.655 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000569622363 384623494 /nfs/dbraw/zinc/62/34/94/384623494.db2.gz CMDMGQFLQXMYKP-NKWVEPMBSA-N 1 2 249.236 1.655 20 0 BDADLO FCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000309605634 384625261 /nfs/dbraw/zinc/62/52/61/384625261.db2.gz XTIVJYGPYRVUFF-JTQLQIEISA-N 1 2 226.299 1.985 20 0 BDADLO FC[C@H]1C[N@H+](Cc2nccs2)CCCO1 ZINC000334636911 384625289 /nfs/dbraw/zinc/62/52/89/384625289.db2.gz HIYSGWDZKPGACZ-VIFPVBQESA-N 1 2 230.308 1.704 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2nccs2)CCCO1 ZINC000334636911 384625300 /nfs/dbraw/zinc/62/53/00/384625300.db2.gz HIYSGWDZKPGACZ-VIFPVBQESA-N 1 2 230.308 1.704 20 0 BDADLO CC(C)CCN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000559132155 384593152 /nfs/dbraw/zinc/59/31/52/384593152.db2.gz MFXUITKNASITPX-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000103148718 384596887 /nfs/dbraw/zinc/59/68/87/384596887.db2.gz NRJQUGYPUBAYQX-CYBMUJFWSA-N 1 2 249.310 1.369 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000103148718 384596899 /nfs/dbraw/zinc/59/68/99/384596899.db2.gz NRJQUGYPUBAYQX-CYBMUJFWSA-N 1 2 249.310 1.369 20 0 BDADLO CCc1cc(CNCc2[nH]c(C)c(C)[nH+]2)on1 ZINC000569622036 384602254 /nfs/dbraw/zinc/60/22/54/384602254.db2.gz DXPGRZMDZZZXEK-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO Cc1ocnc1CNc1[nH+]c2ccccc2n1C ZINC000356794684 384663800 /nfs/dbraw/zinc/66/38/00/384663800.db2.gz NBWHOGXNBGFFPZ-UHFFFAOYSA-N 1 2 242.282 1.904 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000048065566 384672405 /nfs/dbraw/zinc/67/24/05/384672405.db2.gz OOFSQUQBLOELRJ-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCCC[C@@H]2CO)n1 ZINC000048065566 384672411 /nfs/dbraw/zinc/67/24/11/384672411.db2.gz OOFSQUQBLOELRJ-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccn(C)c2)n1 ZINC000309820943 384638977 /nfs/dbraw/zinc/63/89/77/384638977.db2.gz WHQZDRAPFKRTDL-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc2n1CCCC2 ZINC000363596288 384644537 /nfs/dbraw/zinc/64/45/37/384644537.db2.gz AZKQCIVTVVJVBF-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc2n1CCCC2 ZINC000363596288 384644542 /nfs/dbraw/zinc/64/45/42/384644542.db2.gz AZKQCIVTVVJVBF-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCF ZINC000238804935 384644947 /nfs/dbraw/zinc/64/49/47/384644947.db2.gz VIAVHPRHLBKBPC-SNVBAGLBSA-N 1 2 246.326 1.897 20 0 BDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCF ZINC000238804935 384644955 /nfs/dbraw/zinc/64/49/55/384644955.db2.gz VIAVHPRHLBKBPC-SNVBAGLBSA-N 1 2 246.326 1.897 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)c1cccnc1 ZINC000086453735 384649381 /nfs/dbraw/zinc/64/93/81/384649381.db2.gz LDARPWZKNZGGTH-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO CCCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000104095125 384659343 /nfs/dbraw/zinc/65/93/43/384659343.db2.gz CNRRSBUIEIOMOH-UHFFFAOYSA-N 1 2 234.303 1.255 20 0 BDADLO CCCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000104095125 384659350 /nfs/dbraw/zinc/65/93/50/384659350.db2.gz CNRRSBUIEIOMOH-UHFFFAOYSA-N 1 2 234.303 1.255 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082277629 384659889 /nfs/dbraw/zinc/65/98/89/384659889.db2.gz LLULCOWTJLWYCE-JTQLQIEISA-N 1 2 244.298 1.758 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc3cnccn23)CCO1 ZINC000125523489 384728125 /nfs/dbraw/zinc/72/81/25/384728125.db2.gz YUYNTHYMHOSBBY-LBPRGKRZSA-N 1 2 246.314 1.340 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc3cnccn23)CCO1 ZINC000125523489 384728135 /nfs/dbraw/zinc/72/81/35/384728135.db2.gz YUYNTHYMHOSBBY-LBPRGKRZSA-N 1 2 246.314 1.340 20 0 BDADLO Cn1cc[nH+]c1CN[C@H]1COc2cccc(F)c21 ZINC000363674508 384681149 /nfs/dbraw/zinc/68/11/49/384681149.db2.gz RPMQSPPDEFYFJR-JTQLQIEISA-N 1 2 247.273 1.783 20 0 BDADLO C[N@H+](CCO)Cc1csc(-c2ccco2)n1 ZINC000051770418 384682741 /nfs/dbraw/zinc/68/27/41/384682741.db2.gz PGSDOSHRZQNNNW-UHFFFAOYSA-N 1 2 238.312 1.827 20 0 BDADLO C[N@@H+](CCO)Cc1csc(-c2ccco2)n1 ZINC000051770418 384682748 /nfs/dbraw/zinc/68/27/48/384682748.db2.gz PGSDOSHRZQNNNW-UHFFFAOYSA-N 1 2 238.312 1.827 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000049956426 384687046 /nfs/dbraw/zinc/68/70/46/384687046.db2.gz WYDCYQBPADBMMU-VIFPVBQESA-N 1 2 225.263 1.819 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000049956426 384687056 /nfs/dbraw/zinc/68/70/56/384687056.db2.gz WYDCYQBPADBMMU-VIFPVBQESA-N 1 2 225.263 1.819 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(CO)o1 ZINC000556959311 384692880 /nfs/dbraw/zinc/69/28/80/384692880.db2.gz PSVVBZYBFSEQEZ-NSHDSACASA-N 1 2 238.331 1.298 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(CO)o1 ZINC000556959311 384692888 /nfs/dbraw/zinc/69/28/88/384692888.db2.gz PSVVBZYBFSEQEZ-NSHDSACASA-N 1 2 238.331 1.298 20 0 BDADLO CCCCN(CC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000363950176 384708938 /nfs/dbraw/zinc/70/89/38/384708938.db2.gz CPMXPHQZGVPQEY-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000363950176 384708945 /nfs/dbraw/zinc/70/89/45/384708945.db2.gz CPMXPHQZGVPQEY-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO C[N@H+](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000102675543 384722652 /nfs/dbraw/zinc/72/26/52/384722652.db2.gz LDHUUMKBXGRHHQ-SNVBAGLBSA-N 1 2 245.369 1.367 20 0 BDADLO C[N@@H+](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000102675543 384722657 /nfs/dbraw/zinc/72/26/57/384722657.db2.gz LDHUUMKBXGRHHQ-SNVBAGLBSA-N 1 2 245.369 1.367 20 0 BDADLO CCOC(=O)CN(CC)Cc1[nH+]ccn1CC ZINC000052345188 384722888 /nfs/dbraw/zinc/72/28/88/384722888.db2.gz SSYONAGKXCHVAA-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC1(C)CCC1 ZINC000290748714 384776720 /nfs/dbraw/zinc/77/67/20/384776720.db2.gz OTPWMSAOORAUTH-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO Cc1ccc(CC(=O)NCc2[nH+]ccn2C)o1 ZINC000533582541 384778676 /nfs/dbraw/zinc/77/86/76/384778676.db2.gz NSOHBYDCELXEBK-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO CC(C)[C@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000308453076 384728465 /nfs/dbraw/zinc/72/84/65/384728465.db2.gz HLLVNBJSYQWSTI-SECBINFHSA-N 1 2 207.264 1.733 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000308453076 384728467 /nfs/dbraw/zinc/72/84/67/384728467.db2.gz HLLVNBJSYQWSTI-SECBINFHSA-N 1 2 207.264 1.733 20 0 BDADLO CCOC1CC(CNc2ccc(CO)c[nH+]2)C1 ZINC000643894218 384732647 /nfs/dbraw/zinc/73/26/47/384732647.db2.gz AWGWEDFIISAUAP-UHFFFAOYSA-N 1 2 236.315 1.801 20 0 BDADLO Cc1cc[nH+]c(NCCc2nnc[nH]2)c1Cl ZINC000309696360 384738386 /nfs/dbraw/zinc/73/83/86/384738386.db2.gz LDUQNJIBJLXISR-UHFFFAOYSA-N 1 2 237.694 1.816 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000052720749 384744816 /nfs/dbraw/zinc/74/48/16/384744816.db2.gz XMCHROVXDVJJKM-NSHDSACASA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000052720749 384744827 /nfs/dbraw/zinc/74/48/27/384744827.db2.gz XMCHROVXDVJJKM-NSHDSACASA-N 1 2 221.304 1.275 20 0 BDADLO CCC[C@@](C)(O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000125828133 384753368 /nfs/dbraw/zinc/75/33/68/384753368.db2.gz YIAMWBHCTHTLPD-GFCCVEGCSA-N 1 2 222.288 1.880 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[NH+](C)CC2)s1 ZINC000054455752 384756526 /nfs/dbraw/zinc/75/65/26/384756526.db2.gz JWZVLVZTJHGOJR-UHFFFAOYSA-N 1 2 239.344 1.148 20 0 BDADLO Cc1ccc(NCc2cncnc2)c[nH+]1 ZINC000083343379 384759386 /nfs/dbraw/zinc/75/93/86/384759386.db2.gz SOEZIFNURLNZFO-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO CC[C@@H](CNc1[nH+]cnc2c1cnn2C)OC ZINC000290595537 384760595 /nfs/dbraw/zinc/76/05/95/384760595.db2.gz RDZDQTIAYUMDKP-QMMMGPOBSA-N 1 2 235.291 1.200 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000309982575 384761814 /nfs/dbraw/zinc/76/18/14/384761814.db2.gz HYGJWOGYZSYHPW-NXEZZACHSA-N 1 2 239.319 1.223 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000309982575 384761820 /nfs/dbraw/zinc/76/18/20/384761820.db2.gz HYGJWOGYZSYHPW-NXEZZACHSA-N 1 2 239.319 1.223 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982530 384761977 /nfs/dbraw/zinc/76/19/77/384761977.db2.gz DLXRYOCVSPKMDT-BDAKNGLRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000309982530 384761985 /nfs/dbraw/zinc/76/19/85/384761985.db2.gz DLXRYOCVSPKMDT-BDAKNGLRSA-N 1 2 239.319 1.322 20 0 BDADLO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000375896462 384829886 /nfs/dbraw/zinc/82/98/86/384829886.db2.gz XBLGIPGBJBDOGC-DOZZXWOPSA-N 1 2 241.360 1.144 20 0 BDADLO CCCCOCC[NH2+][C@H](C)c1ncn(C)n1 ZINC000310020434 384786884 /nfs/dbraw/zinc/78/68/84/384786884.db2.gz NALKTNSXXJTXMJ-SNVBAGLBSA-N 1 2 226.324 1.282 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OCC ZINC000310020689 384787476 /nfs/dbraw/zinc/78/74/76/384787476.db2.gz NECNJAVYPNBPEN-MXWKQRLJSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)C(=O)OC ZINC000310025176 384791160 /nfs/dbraw/zinc/79/11/60/384791160.db2.gz OWOZKFWAPFQLMF-MMWGEVLESA-N 1 2 227.304 1.095 20 0 BDADLO Cc1ccc(CNc2nc(C)[nH+]c(N)n2)nc1C ZINC000314089701 384794972 /nfs/dbraw/zinc/79/49/72/384794972.db2.gz YRDZVDLLUREPLT-UHFFFAOYSA-N 1 2 244.302 1.386 20 0 BDADLO Cc1ccc(CNc2nc(N)nc(C)[nH+]2)nc1C ZINC000314089701 384794980 /nfs/dbraw/zinc/79/49/80/384794980.db2.gz YRDZVDLLUREPLT-UHFFFAOYSA-N 1 2 244.302 1.386 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCO1 ZINC000186345850 384836791 /nfs/dbraw/zinc/83/67/91/384836791.db2.gz FPJFFOWAWIVEEP-UHFFFAOYSA-N 1 2 217.228 1.112 20 0 BDADLO C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@@H]1C ZINC000291730117 384837052 /nfs/dbraw/zinc/83/70/52/384837052.db2.gz BRCXYJALTJZJOP-UWVGGRQHSA-N 1 2 236.319 1.218 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2C/C=C/Cl ZINC000186677069 384870012 /nfs/dbraw/zinc/87/00/12/384870012.db2.gz CNPCDXDZKFCLLX-JYBNPQIESA-N 1 2 215.680 1.520 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2C/C=C/Cl ZINC000186677069 384870020 /nfs/dbraw/zinc/87/00/20/384870020.db2.gz CNPCDXDZKFCLLX-JYBNPQIESA-N 1 2 215.680 1.520 20 0 BDADLO O=C(N[C@H]1CC12CC2)c1ccc2[nH+]ccn2c1 ZINC000335484848 384873756 /nfs/dbraw/zinc/87/37/56/384873756.db2.gz DBVMTHWZVNGQDW-JTQLQIEISA-N 1 2 227.267 1.617 20 0 BDADLO O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000644421408 384874786 /nfs/dbraw/zinc/87/47/86/384874786.db2.gz IJMPAAHDRJEXQR-VXNVDRBHSA-N 1 2 249.236 1.345 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)nc1 ZINC000400890695 384876690 /nfs/dbraw/zinc/87/66/90/384876690.db2.gz LFWCSNJTSMBNKB-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO Cc1cc(C[N@@H+](C)CC2(CO)CC2)no1 ZINC000186781430 384879437 /nfs/dbraw/zinc/87/94/37/384879437.db2.gz JVUYTZUPXHKGCD-UHFFFAOYSA-N 1 2 210.277 1.187 20 0 BDADLO Cc1cc(C[N@H+](C)CC2(CO)CC2)no1 ZINC000186781430 384879446 /nfs/dbraw/zinc/87/94/46/384879446.db2.gz JVUYTZUPXHKGCD-UHFFFAOYSA-N 1 2 210.277 1.187 20 0 BDADLO Cc1occc1C[N@@H+](C)Cc1cncn1C ZINC000177021401 384844616 /nfs/dbraw/zinc/84/46/16/384844616.db2.gz HAEHJSWCXIAQJW-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1occc1C[N@H+](C)Cc1cncn1C ZINC000177021401 384844619 /nfs/dbraw/zinc/84/46/19/384844619.db2.gz HAEHJSWCXIAQJW-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1nc(N2CCC(C)(O)CC2)cc[nH+]1 ZINC000087781026 384845431 /nfs/dbraw/zinc/84/54/31/384845431.db2.gz OCTGMZANLMSGCO-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000336240915 384845902 /nfs/dbraw/zinc/84/59/02/384845902.db2.gz OOOVCFHLEPERLZ-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000336240915 384845907 /nfs/dbraw/zinc/84/59/07/384845907.db2.gz OOOVCFHLEPERLZ-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000336240917 384847132 /nfs/dbraw/zinc/84/71/32/384847132.db2.gz OOOVCFHLEPERLZ-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000336240917 384847136 /nfs/dbraw/zinc/84/71/36/384847136.db2.gz OOOVCFHLEPERLZ-SNVBAGLBSA-N 1 2 238.356 1.833 20 0 BDADLO CCC[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112333682 384853783 /nfs/dbraw/zinc/85/37/83/384853783.db2.gz WMGRBBOLPOOANN-SNVBAGLBSA-N 1 2 221.304 1.927 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC12CCC2 ZINC000335548780 384889097 /nfs/dbraw/zinc/88/90/97/384889097.db2.gz QOOXUDQOANHFIY-NSHDSACASA-N 1 2 245.326 1.601 20 0 BDADLO C[C@@H](NCc1c[nH+]cn1C)C(F)(F)F ZINC000308605591 384863566 /nfs/dbraw/zinc/86/35/66/384863566.db2.gz PNVGIDQSAKJPMT-ZCFIWIBFSA-N 1 2 207.199 1.461 20 0 BDADLO COC(=O)CSCCNc1cc(C)[nH+]cn1 ZINC000301225647 384866766 /nfs/dbraw/zinc/86/67/66/384866766.db2.gz FRYHUDYDFQOLBU-UHFFFAOYSA-N 1 2 241.316 1.103 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)C ZINC000055053349 384866700 /nfs/dbraw/zinc/86/67/00/384866700.db2.gz PBUQXHQNHMXQCR-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)N(C)C ZINC000055053349 384866708 /nfs/dbraw/zinc/86/67/08/384866708.db2.gz PBUQXHQNHMXQCR-UHFFFAOYSA-N 1 2 210.277 1.108 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCOC1 ZINC000107291213 384960791 /nfs/dbraw/zinc/96/07/91/384960791.db2.gz XDHAMBQFZSEMAZ-SECBINFHSA-N 1 2 206.245 1.365 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(C2CC2)C1 ZINC000642936338 384956382 /nfs/dbraw/zinc/95/63/82/384956382.db2.gz BOVQNPWDOUBLPJ-JTQLQIEISA-N 1 2 248.330 1.323 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187547042 384957514 /nfs/dbraw/zinc/95/75/14/384957514.db2.gz WUFGHIBADRSDSI-NSHDSACASA-N 1 2 240.328 1.134 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187547042 384957521 /nfs/dbraw/zinc/95/75/21/384957521.db2.gz WUFGHIBADRSDSI-NSHDSACASA-N 1 2 240.328 1.134 20 0 BDADLO C[C@H](CCS(C)(=O)=O)Nc1cccc[nH+]1 ZINC000301682672 384907863 /nfs/dbraw/zinc/90/78/63/384907863.db2.gz UBUSGUUVQDMWJJ-SECBINFHSA-N 1 2 228.317 1.317 20 0 BDADLO CS(=O)(=O)CCC[NH+]1Cc2ccccc2C1 ZINC000106302831 384908766 /nfs/dbraw/zinc/90/87/66/384908766.db2.gz VFJIUKUKHMACIL-UHFFFAOYSA-N 1 2 239.340 1.437 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1cnccn1 ZINC000175783292 384959368 /nfs/dbraw/zinc/95/93/68/384959368.db2.gz SIINOOMVISNBGT-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1cnccn1 ZINC000175783292 384959375 /nfs/dbraw/zinc/95/93/75/384959375.db2.gz SIINOOMVISNBGT-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000187309758 384932838 /nfs/dbraw/zinc/93/28/38/384932838.db2.gz MFAKGJZBJWYXJW-AWEZNQCLSA-N 1 2 247.342 1.572 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000187309758 384932847 /nfs/dbraw/zinc/93/28/47/384932847.db2.gz MFAKGJZBJWYXJW-AWEZNQCLSA-N 1 2 247.342 1.572 20 0 BDADLO C[N@H+](Cc1nc(-c2ccco2)no1)[C@H]1CCOC1 ZINC000106882444 384936274 /nfs/dbraw/zinc/93/62/74/384936274.db2.gz JAUHRAXUPDYQCO-VIFPVBQESA-N 1 2 249.270 1.550 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@H]1CCOC1 ZINC000106882444 384936283 /nfs/dbraw/zinc/93/62/83/384936283.db2.gz JAUHRAXUPDYQCO-VIFPVBQESA-N 1 2 249.270 1.550 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCOC2)oc1C ZINC000106882277 384936920 /nfs/dbraw/zinc/93/69/20/384936920.db2.gz CQQRKXKDKIHWCM-JTQLQIEISA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCOC2)oc1C ZINC000106882277 384936932 /nfs/dbraw/zinc/93/69/32/384936932.db2.gz CQQRKXKDKIHWCM-JTQLQIEISA-N 1 2 210.277 1.512 20 0 BDADLO Cc1ccc(OC[C@H](O)Cn2cc[nH+]c2)c(C)c1 ZINC000057371545 384943191 /nfs/dbraw/zinc/94/31/91/384943191.db2.gz RLNUSMGOEWRSEG-CYBMUJFWSA-N 1 2 246.310 1.940 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)s1 ZINC000128400916 384944283 /nfs/dbraw/zinc/94/42/83/384944283.db2.gz KHZKWWPHYFVYHG-SNVBAGLBSA-N 1 2 227.329 1.250 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)s1 ZINC000128400916 384944290 /nfs/dbraw/zinc/94/42/90/384944290.db2.gz KHZKWWPHYFVYHG-SNVBAGLBSA-N 1 2 227.329 1.250 20 0 BDADLO Cc1cc(C)cc(OC[C@@H](O)Cn2cc[nH+]c2)c1 ZINC000057371615 384944444 /nfs/dbraw/zinc/94/44/44/384944444.db2.gz QPRLHJXNHTXXBV-ZDUSSCGKSA-N 1 2 246.310 1.940 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106936595 384944613 /nfs/dbraw/zinc/94/46/13/384944613.db2.gz UERZDCZTHMDQMR-MRVPVSSYSA-N 1 2 242.344 1.926 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106936595 384944619 /nfs/dbraw/zinc/94/46/19/384944619.db2.gz UERZDCZTHMDQMR-MRVPVSSYSA-N 1 2 242.344 1.926 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1cncs1 ZINC000259765574 384968344 /nfs/dbraw/zinc/96/83/44/384968344.db2.gz RMPMBUZHWBTFFD-SNVBAGLBSA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1CCc1cncs1 ZINC000259765574 384968353 /nfs/dbraw/zinc/96/83/53/384968353.db2.gz RMPMBUZHWBTFFD-SNVBAGLBSA-N 1 2 240.328 1.323 20 0 BDADLO CC(C)c1nc(N[C@H](C)C[S@@](C)=O)cc[nH+]1 ZINC000302158721 384973597 /nfs/dbraw/zinc/97/35/97/384973597.db2.gz NMRKLAZEYRZJGI-JDNHERCYSA-N 1 2 241.360 1.779 20 0 BDADLO Cc1cc(N2CC[C@H](C)[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000249037590 384974802 /nfs/dbraw/zinc/97/48/02/384974802.db2.gz CLSPFYZIPXPVII-JOYOIKCWSA-N 1 2 247.342 1.870 20 0 BDADLO O=C1NC[C@H]2C[N@H+](Cc3cccc(F)c3)CCN12 ZINC000175901675 384978306 /nfs/dbraw/zinc/97/83/06/384978306.db2.gz XPPAEIYMIWHBQY-LBPRGKRZSA-N 1 2 249.289 1.035 20 0 BDADLO O=C1NC[C@H]2C[N@@H+](Cc3cccc(F)c3)CCN12 ZINC000175901675 384978312 /nfs/dbraw/zinc/97/83/12/384978312.db2.gz XPPAEIYMIWHBQY-LBPRGKRZSA-N 1 2 249.289 1.035 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1cc(C)ns1 ZINC000404415810 384981911 /nfs/dbraw/zinc/98/19/11/384981911.db2.gz NLOURZKZBCZAJH-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CN(C[C@@H]1CCCOC1)c1cccc[nH+]1 ZINC000107674046 384995225 /nfs/dbraw/zinc/99/52/25/384995225.db2.gz DSUPUMURDOWOOG-NSHDSACASA-N 1 2 206.289 1.944 20 0 BDADLO Cc1nnc(C[NH2+][C@](C)(CO)c2ccccc2)[nH]1 ZINC000644667587 385083640 /nfs/dbraw/zinc/08/36/40/385083640.db2.gz XSBIPOVQPRUPSX-CYBMUJFWSA-N 1 2 246.314 1.110 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC1(C)C ZINC000291899164 385055485 /nfs/dbraw/zinc/05/54/85/385055485.db2.gz MJUKAOSDVDSVEP-JTQLQIEISA-N 1 2 236.319 1.408 20 0 BDADLO CC[C@@H](O)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000644655521 385061752 /nfs/dbraw/zinc/06/17/52/385061752.db2.gz OFZSFRJOWROAAN-GFCCVEGCSA-N 1 2 246.314 1.128 20 0 BDADLO CCc1nc(C)c(C(=O)NCc2c[nH+]cn2C)o1 ZINC000293622094 385078842 /nfs/dbraw/zinc/07/88/42/385078842.db2.gz IICBPZBHMVEQHL-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO C[C@H]1CSC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000557585461 385023870 /nfs/dbraw/zinc/02/38/70/385023870.db2.gz KXDPGXYELAMPTG-WPRPVWTQSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@H]1CSC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000557585461 385023877 /nfs/dbraw/zinc/02/38/77/385023877.db2.gz KXDPGXYELAMPTG-WPRPVWTQSA-N 1 2 239.344 1.210 20 0 BDADLO CCC(CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152237835 385025684 /nfs/dbraw/zinc/02/56/84/385025684.db2.gz UHVRLGUYRNKJBZ-GFCCVEGCSA-N 1 2 249.358 1.998 20 0 BDADLO Cn1nccc1C[NH2+]Cc1c(Cl)cnn1C ZINC000130466688 385042762 /nfs/dbraw/zinc/04/27/62/385042762.db2.gz XYYYWUATCRXYEW-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cn1c[nH+]cc1CSc1cnccn1 ZINC000530756514 385044367 /nfs/dbraw/zinc/04/43/67/385044367.db2.gz QQIRVRKTYULCBE-UHFFFAOYSA-N 1 2 206.274 1.502 20 0 BDADLO CC(C)c1cc(C(=O)Nc2ccc(N)[nH+]c2)n[nH]1 ZINC000151603050 385121929 /nfs/dbraw/zinc/12/19/29/385121929.db2.gz XFLIYTIJDVFRLJ-UHFFFAOYSA-N 1 2 245.286 1.763 20 0 BDADLO CCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC000189206392 385135068 /nfs/dbraw/zinc/13/50/68/385135068.db2.gz BUOPOPNLCWTMLG-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC000189206392 385135075 /nfs/dbraw/zinc/13/50/75/385135075.db2.gz BUOPOPNLCWTMLG-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000644671860 385087072 /nfs/dbraw/zinc/08/70/72/385087072.db2.gz LCJZROWLVYFYLT-SNVBAGLBSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C[C@@H](O)C2CC2)[nH]1 ZINC000644671860 385087077 /nfs/dbraw/zinc/08/70/77/385087077.db2.gz LCJZROWLVYFYLT-SNVBAGLBSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000334152824 385091207 /nfs/dbraw/zinc/09/12/07/385091207.db2.gz MYAWWZARWIJLDT-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000334152824 385091212 /nfs/dbraw/zinc/09/12/12/385091212.db2.gz MYAWWZARWIJLDT-YPMHNXCESA-N 1 2 235.331 1.719 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CC3)CC2)n[nH]1 ZINC000644679448 385093296 /nfs/dbraw/zinc/09/32/96/385093296.db2.gz LJPKGKHJSPKLGH-UHFFFAOYSA-N 1 2 206.293 1.489 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H]2CCCO2)o1 ZINC000246074267 385105160 /nfs/dbraw/zinc/10/51/60/385105160.db2.gz DDMUMKDOUKUFEG-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000246074267 385105169 /nfs/dbraw/zinc/10/51/69/385105169.db2.gz DDMUMKDOUKUFEG-PSASIEDQSA-N 1 2 225.292 1.550 20 0 BDADLO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000144180162 385183767 /nfs/dbraw/zinc/18/37/67/385183767.db2.gz CSYIGIWANMQIME-LBPRGKRZSA-N 1 2 219.284 1.606 20 0 BDADLO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000144180162 385183772 /nfs/dbraw/zinc/18/37/72/385183772.db2.gz CSYIGIWANMQIME-LBPRGKRZSA-N 1 2 219.284 1.606 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2noc(C)n2)CC[C@@H]1C ZINC000189296536 385144708 /nfs/dbraw/zinc/14/47/08/385144708.db2.gz WCFTUSJXDCSILG-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2noc(C)n2)CC[C@@H]1C ZINC000189296536 385144716 /nfs/dbraw/zinc/14/47/16/385144716.db2.gz WCFTUSJXDCSILG-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC1=CCCC1 ZINC000189343247 385147155 /nfs/dbraw/zinc/14/71/55/385147155.db2.gz AHUHRJPISUQITF-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nnc(C)o2)CC[C@H]1C ZINC000189357408 385151995 /nfs/dbraw/zinc/15/19/95/385151995.db2.gz ZFCIKRLBIFNSAD-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nnc(C)o2)CC[C@H]1C ZINC000189357408 385152007 /nfs/dbraw/zinc/15/20/07/385152007.db2.gz ZFCIKRLBIFNSAD-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000336357867 385154784 /nfs/dbraw/zinc/15/47/84/385154784.db2.gz OFABGNFSKLSWRI-WCQYABFASA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000336357867 385154791 /nfs/dbraw/zinc/15/47/91/385154791.db2.gz OFABGNFSKLSWRI-WCQYABFASA-N 1 2 235.331 1.482 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@](C)(O)C2)no1 ZINC000177979073 385157640 /nfs/dbraw/zinc/15/76/40/385157640.db2.gz GPZASWRFYLOCNR-GFCCVEGCSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@](C)(O)C2)no1 ZINC000177979073 385157644 /nfs/dbraw/zinc/15/76/44/385157644.db2.gz GPZASWRFYLOCNR-GFCCVEGCSA-N 1 2 239.319 1.324 20 0 BDADLO C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H]1C ZINC000176949203 385162592 /nfs/dbraw/zinc/16/25/92/385162592.db2.gz URHQCCNLVIDTON-MNOVXSKESA-N 1 2 236.319 1.323 20 0 BDADLO CC[NH+](CC)[C@@H](C(=O)OC)c1cccnc1 ZINC000129596697 385164544 /nfs/dbraw/zinc/16/45/44/385164544.db2.gz HWNHRMSAYLJIFX-LLVKDONJSA-N 1 2 222.288 1.638 20 0 BDADLO Cc1cc(NC[C@@H](CO)CC2CCCC2)nc[nH+]1 ZINC000359286069 385165052 /nfs/dbraw/zinc/16/50/52/385165052.db2.gz HHRNCLUVLQWFPX-ZDUSSCGKSA-N 1 2 249.358 1.808 20 0 BDADLO CC[N@H+](Cc1ncnn1C)Cc1cccc(F)c1 ZINC000157436035 385176419 /nfs/dbraw/zinc/17/64/19/385176419.db2.gz FHBDIGJVPPFNSI-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1ncnn1C)Cc1cccc(F)c1 ZINC000157436035 385176424 /nfs/dbraw/zinc/17/64/24/385176424.db2.gz FHBDIGJVPPFNSI-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000360488697 385212236 /nfs/dbraw/zinc/21/22/36/385212236.db2.gz JYYYMCMBMIGYBW-UTUOFQBUSA-N 1 2 235.331 1.776 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1coc(C)n1 ZINC000647068913 385215121 /nfs/dbraw/zinc/21/51/21/385215121.db2.gz PRKZQEIVZFDAIQ-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO CCOCCOCCN(C)c1cccc[nH+]1 ZINC000190261430 385226219 /nfs/dbraw/zinc/22/62/19/385226219.db2.gz SDZRBEDGOQESKG-UHFFFAOYSA-N 1 2 224.304 1.571 20 0 BDADLO O=C(CC1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152987704 385229092 /nfs/dbraw/zinc/22/90/92/385229092.db2.gz AQYBIUFIRUVVNX-GFCCVEGCSA-N 1 2 245.326 1.577 20 0 BDADLO CCC[C@@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000130294794 385239336 /nfs/dbraw/zinc/23/93/36/385239336.db2.gz SAGLUXXDTKHSRL-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO Nc1[nH+]cnc(NCCC2(F)CCC2)c1Cl ZINC000336692237 385257733 /nfs/dbraw/zinc/25/77/33/385257733.db2.gz XDKRPBBTEMXBQB-UHFFFAOYSA-N 1 2 244.701 1.828 20 0 BDADLO Nc1nc[nH+]c(NCCC2(F)CCC2)c1Cl ZINC000336692237 385257739 /nfs/dbraw/zinc/25/77/39/385257739.db2.gz XDKRPBBTEMXBQB-UHFFFAOYSA-N 1 2 244.701 1.828 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)[C@@H](C)C1 ZINC000398346756 385253788 /nfs/dbraw/zinc/25/37/88/385253788.db2.gz XGRFXAKFLUNLHI-YWVKMMECSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)[C@@H](C)C1 ZINC000398346756 385253794 /nfs/dbraw/zinc/25/37/94/385253794.db2.gz XGRFXAKFLUNLHI-YWVKMMECSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(F)(F)F ZINC000644791168 385302426 /nfs/dbraw/zinc/30/24/26/385302426.db2.gz GEXDFINZPXAHBH-ZCFIWIBFSA-N 1 2 235.209 1.030 20 0 BDADLO C#CC[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121525280 385276610 /nfs/dbraw/zinc/27/66/10/385276610.db2.gz BGOHBGLMYVDXTO-LLVKDONJSA-N 1 2 223.316 1.816 20 0 BDADLO C#CC[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121525280 385276616 /nfs/dbraw/zinc/27/66/16/385276616.db2.gz BGOHBGLMYVDXTO-LLVKDONJSA-N 1 2 223.316 1.816 20 0 BDADLO CCCC[N@H+](CCOC)Cc1nc(C)no1 ZINC000109334074 385341005 /nfs/dbraw/zinc/34/10/05/385341005.db2.gz IBPAZAJAGVQTLG-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1nc(C)no1 ZINC000109334074 385341010 /nfs/dbraw/zinc/34/10/10/385341010.db2.gz IBPAZAJAGVQTLG-UHFFFAOYSA-N 1 2 227.308 1.627 20 0 BDADLO CCC[C@](C)(NCCn1cc[nH+]c1)C(=O)OC ZINC000131632502 385349453 /nfs/dbraw/zinc/34/94/53/385349453.db2.gz KUYHNOLZUPROFH-LBPRGKRZSA-N 1 2 239.319 1.205 20 0 BDADLO FCCNc1nc(NCCF)c(Cl)c[nH+]1 ZINC000280714029 385359572 /nfs/dbraw/zinc/35/95/72/385359572.db2.gz HZQHVBCYHOSOHI-UHFFFAOYSA-N 1 2 236.653 1.893 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)co1 ZINC000161564366 385360515 /nfs/dbraw/zinc/36/05/15/385360515.db2.gz LEOPJKIGPIZZRJ-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)co1 ZINC000161564366 385360521 /nfs/dbraw/zinc/36/05/21/385360521.db2.gz LEOPJKIGPIZZRJ-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000148023007 385362759 /nfs/dbraw/zinc/36/27/59/385362759.db2.gz CRAMURDEUMRUAG-MRVPVSSYSA-N 1 2 207.277 1.414 20 0 BDADLO Cc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000492389563 385369261 /nfs/dbraw/zinc/36/92/61/385369261.db2.gz GHUXSJVVQRIVHM-PLNGDYQASA-N 1 2 242.282 1.443 20 0 BDADLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](C)O)o1 ZINC000192983814 385379257 /nfs/dbraw/zinc/37/92/57/385379257.db2.gz USEIFJSODVPUEG-ZYHUDNBSSA-N 1 2 239.315 1.596 20 0 BDADLO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](C)O)o1 ZINC000192983814 385379261 /nfs/dbraw/zinc/37/92/61/385379261.db2.gz USEIFJSODVPUEG-ZYHUDNBSSA-N 1 2 239.315 1.596 20 0 BDADLO C[C@H](O)CSc1[nH+]cc2ccccn21 ZINC000193071014 385383703 /nfs/dbraw/zinc/38/37/03/385383703.db2.gz JUSPIKVDVVJCFG-QMMMGPOBSA-N 1 2 208.286 1.807 20 0 BDADLO CSCCCCC(=O)NCCn1cc[nH+]c1 ZINC000131343669 385328039 /nfs/dbraw/zinc/32/80/39/385328039.db2.gz RPGLIOVCESPNFS-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO C[C@H]([NH2+]Cc1cccn1C)c1ccon1 ZINC000309120043 385424233 /nfs/dbraw/zinc/42/42/33/385424233.db2.gz NFUNAWUWQUEOSY-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO C[C@H](CC(C)(C)O)Nc1[nH+]cnc2c1cnn2C ZINC000295080916 385425479 /nfs/dbraw/zinc/42/54/79/385425479.db2.gz XSETUZYOBIFGNY-MRVPVSSYSA-N 1 2 249.318 1.325 20 0 BDADLO C=Cn1cc(C[N@@H+](CC(=O)OC)C(C)C)cn1 ZINC000193727675 385408726 /nfs/dbraw/zinc/40/87/26/385408726.db2.gz SYKIBFRVUFXFFU-UHFFFAOYSA-N 1 2 237.303 1.367 20 0 BDADLO C=Cn1cc(C[N@H+](CC(=O)OC)C(C)C)cn1 ZINC000193727675 385408732 /nfs/dbraw/zinc/40/87/32/385408732.db2.gz SYKIBFRVUFXFFU-UHFFFAOYSA-N 1 2 237.303 1.367 20 0 BDADLO COC[C@@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000181671962 385409875 /nfs/dbraw/zinc/40/98/75/385409875.db2.gz CBMOPEAAWYPSHP-GFCCVEGCSA-N 1 2 246.314 1.292 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000449034309 385440099 /nfs/dbraw/zinc/44/00/99/385440099.db2.gz ITXJCIGONYAFIU-WDEREUQCSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000449034309 385440104 /nfs/dbraw/zinc/44/01/04/385440104.db2.gz ITXJCIGONYAFIU-WDEREUQCSA-N 1 2 238.335 1.216 20 0 BDADLO COC(=O)[C@H]1C[N@H+](CCSC(C)C)CCO1 ZINC000309159613 385440888 /nfs/dbraw/zinc/44/08/88/385440888.db2.gz GOCLMVBWXUWKPH-SNVBAGLBSA-N 1 2 247.360 1.002 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](CCSC(C)C)CCO1 ZINC000309159613 385440890 /nfs/dbraw/zinc/44/08/90/385440890.db2.gz GOCLMVBWXUWKPH-SNVBAGLBSA-N 1 2 247.360 1.002 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC1OCCO1 ZINC000194722187 385447557 /nfs/dbraw/zinc/44/75/57/385447557.db2.gz YAFDKEKZQCLLGO-UHFFFAOYSA-N 1 2 223.272 1.704 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000170819939 385449760 /nfs/dbraw/zinc/44/97/60/385449760.db2.gz QHPPZPRBBPRYMX-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000170819939 385449764 /nfs/dbraw/zinc/44/97/64/385449764.db2.gz QHPPZPRBBPRYMX-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1 ZINC000156409247 385451379 /nfs/dbraw/zinc/45/13/79/385451379.db2.gz SDEGJAHEIROKKJ-VIIAAUOXSA-N 1 2 244.338 1.910 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1 ZINC000156409247 385451382 /nfs/dbraw/zinc/45/13/82/385451382.db2.gz SDEGJAHEIROKKJ-VIIAAUOXSA-N 1 2 244.338 1.910 20 0 BDADLO COCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000179208443 385452132 /nfs/dbraw/zinc/45/21/32/385452132.db2.gz WZBFOHPIJKVKPP-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO COCc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000179208443 385452134 /nfs/dbraw/zinc/45/21/34/385452134.db2.gz WZBFOHPIJKVKPP-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000170956513 385458330 /nfs/dbraw/zinc/45/83/30/385458330.db2.gz MSIRCJLRXWIKGS-GXSJLCMTSA-N 1 2 220.272 1.754 20 0 BDADLO COCc1noc(C[N@@H+]2CCCC(C)(C)C2)n1 ZINC000182291289 385432324 /nfs/dbraw/zinc/43/23/24/385432324.db2.gz NGFIXFKBVKSYJB-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO COCc1noc(C[N@H+]2CCCC(C)(C)C2)n1 ZINC000182291289 385432325 /nfs/dbraw/zinc/43/23/25/385432325.db2.gz NGFIXFKBVKSYJB-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](C)OC)CCCCC1 ZINC000182179172 385434614 /nfs/dbraw/zinc/43/46/14/385434614.db2.gz IIOFEEMSYZXLDJ-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO Fc1cc(Cn2cc[nH+]c2)c2c(c1)COCO2 ZINC000194433144 385435832 /nfs/dbraw/zinc/43/58/32/385435832.db2.gz MCGUPUBAAOJBSR-UHFFFAOYSA-N 1 2 234.230 1.937 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364432671 385437659 /nfs/dbraw/zinc/43/76/59/385437659.db2.gz CZCYAUURRILTAT-QWRGUYRKSA-N 1 2 241.331 1.175 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364432671 385437662 /nfs/dbraw/zinc/43/76/62/385437662.db2.gz CZCYAUURRILTAT-QWRGUYRKSA-N 1 2 241.331 1.175 20 0 BDADLO CC1(C)C[N@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000448367865 385464859 /nfs/dbraw/zinc/46/48/59/385464859.db2.gz RUPHYWLVODADAL-SECBINFHSA-N 1 2 245.273 1.481 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000448367865 385464862 /nfs/dbraw/zinc/46/48/62/385464862.db2.gz RUPHYWLVODADAL-SECBINFHSA-N 1 2 245.273 1.481 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000171180508 385471242 /nfs/dbraw/zinc/47/12/42/385471242.db2.gz ZFJXFKFDMQJSMI-VHSXEESVSA-N 1 2 234.255 1.138 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000364642063 385482535 /nfs/dbraw/zinc/48/25/35/385482535.db2.gz ZNABMSCAHGVUSN-KOLCDFICSA-N 1 2 236.271 1.120 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000364642063 385482539 /nfs/dbraw/zinc/48/25/39/385482539.db2.gz ZNABMSCAHGVUSN-KOLCDFICSA-N 1 2 236.271 1.120 20 0 BDADLO Cc1c[nH+]c(CNCc2nccs2)n1C ZINC000309248899 385497263 /nfs/dbraw/zinc/49/72/63/385497263.db2.gz ZSKUSDLVFHNIDB-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCOc1ccccc1 ZINC000157358836 385497928 /nfs/dbraw/zinc/49/79/28/385497928.db2.gz MVQFGXROKRYXRB-UHFFFAOYSA-N 1 2 246.314 1.326 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCOc1ccccc1 ZINC000157358836 385497933 /nfs/dbraw/zinc/49/79/33/385497933.db2.gz MVQFGXROKRYXRB-UHFFFAOYSA-N 1 2 246.314 1.326 20 0 BDADLO Cc1nc(COCc2[nH]cc[nH+]2)cs1 ZINC000180024221 385503625 /nfs/dbraw/zinc/50/36/25/385503625.db2.gz BXNKJZBCLXDLEI-UHFFFAOYSA-N 1 2 209.274 1.891 20 0 BDADLO CC(C)c1nc(N2CCOC[C@H]2C)cc[nH+]1 ZINC000106464267 385509572 /nfs/dbraw/zinc/50/95/72/385509572.db2.gz QFZKRNMKOLRDPG-SNVBAGLBSA-N 1 2 221.304 1.825 20 0 BDADLO CCOC[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000180155451 385510272 /nfs/dbraw/zinc/51/02/72/385510272.db2.gz AAIYFYDULJROAM-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CCOC[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000180155451 385510276 /nfs/dbraw/zinc/51/02/76/385510276.db2.gz AAIYFYDULJROAM-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO c1cncc(C[N@@H+](CC2OCCO2)C2CC2)c1 ZINC000180196166 385510856 /nfs/dbraw/zinc/51/08/56/385510856.db2.gz OKZCWEDOPFXUBH-UHFFFAOYSA-N 1 2 234.299 1.419 20 0 BDADLO c1cncc(C[N@H+](CC2OCCO2)C2CC2)c1 ZINC000180196166 385510859 /nfs/dbraw/zinc/51/08/59/385510859.db2.gz OKZCWEDOPFXUBH-UHFFFAOYSA-N 1 2 234.299 1.419 20 0 BDADLO Cn1c[nH+]c2c1CCN(C[C@@H]1CCC=CO1)C2 ZINC000364760677 385512123 /nfs/dbraw/zinc/51/21/23/385512123.db2.gz QUYNMYLAGJZESD-NSHDSACASA-N 1 2 233.315 1.471 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000157198896 385489522 /nfs/dbraw/zinc/48/95/22/385489522.db2.gz WPIHXFBWCPHDGA-YPMHNXCESA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccccn1 ZINC000157198896 385489525 /nfs/dbraw/zinc/48/95/25/385489525.db2.gz WPIHXFBWCPHDGA-YPMHNXCESA-N 1 2 236.315 1.053 20 0 BDADLO COC(=O)[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC000364877838 385533629 /nfs/dbraw/zinc/53/36/29/385533629.db2.gz PMHDQZDZJCIGPO-JTQLQIEISA-N 1 2 249.314 1.420 20 0 BDADLO O=C(C1CC(=O)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000364875741 385535449 /nfs/dbraw/zinc/53/54/49/385535449.db2.gz DHHPVTNNOSLQKM-SECBINFHSA-N 1 2 247.298 1.095 20 0 BDADLO CCN(CC(C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493163070 385539146 /nfs/dbraw/zinc/53/91/46/385539146.db2.gz KIBUEGUOIQOVBX-AATRIKPKSA-N 1 2 221.304 1.927 20 0 BDADLO COC[C@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000180788302 385547262 /nfs/dbraw/zinc/54/72/62/385547262.db2.gz IGCARTADRMJETN-LBPRGKRZSA-N 1 2 248.282 1.258 20 0 BDADLO Cc1cnc(CC[N@@H+](C)[C@H]2CCOC2=O)s1 ZINC000157820974 385524996 /nfs/dbraw/zinc/52/49/96/385524996.db2.gz VLBAPNSLRZVDGP-VIFPVBQESA-N 1 2 240.328 1.241 20 0 BDADLO Cc1cnc(CC[N@H+](C)[C@H]2CCOC2=O)s1 ZINC000157820974 385524999 /nfs/dbraw/zinc/52/49/99/385524999.db2.gz VLBAPNSLRZVDGP-VIFPVBQESA-N 1 2 240.328 1.241 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H]1CCCO ZINC000493197368 385554291 /nfs/dbraw/zinc/55/42/91/385554291.db2.gz YFJXYKQXMXKFLJ-QRGHLMKCSA-N 1 2 249.314 1.186 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OC ZINC000309409959 385572490 /nfs/dbraw/zinc/57/24/90/385572490.db2.gz BRCKVBYLIBDLTK-NHCYSSNCSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)NC1CC1 ZINC000269503601 385600316 /nfs/dbraw/zinc/60/03/16/385600316.db2.gz FSTOAADMRRCNFS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000269503601 385600321 /nfs/dbraw/zinc/60/03/21/385600321.db2.gz FSTOAADMRRCNFS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CCN(CCSC)C(=O)Cn1cc[nH+]c1 ZINC000592923883 385579368 /nfs/dbraw/zinc/57/93/68/385579368.db2.gz WLEWTRYBOBVNNO-UHFFFAOYSA-N 1 2 227.333 1.095 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cscn1 ZINC000309444647 385584100 /nfs/dbraw/zinc/58/41/00/385584100.db2.gz LAJWBQDSKWPEPD-BDAKNGLRSA-N 1 2 239.344 1.415 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1ccccn1 ZINC000041567368 385588241 /nfs/dbraw/zinc/58/82/41/385588241.db2.gz PIXZGTVTIMHCBU-UHFFFAOYSA-N 1 2 244.298 1.488 20 0 BDADLO COC(=O)C[N@H+](C)CCc1noc2ccccc12 ZINC000593941038 385589805 /nfs/dbraw/zinc/58/98/05/385589805.db2.gz RJCPVVXIRJEEEM-UHFFFAOYSA-N 1 2 248.282 1.475 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1noc2ccccc12 ZINC000593941038 385589811 /nfs/dbraw/zinc/58/98/11/385589811.db2.gz RJCPVVXIRJEEEM-UHFFFAOYSA-N 1 2 248.282 1.475 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269693082 385625499 /nfs/dbraw/zinc/62/54/99/385625499.db2.gz GGFYOFUZUOOLAO-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccco1 ZINC000054459214 385629928 /nfs/dbraw/zinc/62/99/28/385629928.db2.gz DPYNVYSTIVZPGU-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO CC[C@@H](F)Cn1ncc2c1nc[nH+]c2NC ZINC000336680570 385632293 /nfs/dbraw/zinc/63/22/93/385632293.db2.gz CUAOAHVOXNAVDD-SSDOTTSWSA-N 1 2 223.255 1.616 20 0 BDADLO CC(=O)c1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000340058578 385608337 /nfs/dbraw/zinc/60/83/37/385608337.db2.gz KXUBOIDKKLDRIY-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000269573147 385608730 /nfs/dbraw/zinc/60/87/30/385608730.db2.gz YTTGAXBHZAMLFG-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccncc1C[N@H+]1CCNC(=O)C1(C)C ZINC000269573147 385608735 /nfs/dbraw/zinc/60/87/35/385608735.db2.gz YTTGAXBHZAMLFG-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CCCC[C@@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000184478890 385664096 /nfs/dbraw/zinc/66/40/96/385664096.db2.gz ASYDTVGCSBNMLO-LLVKDONJSA-N 1 2 231.336 1.733 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccon1 ZINC000309506278 385641484 /nfs/dbraw/zinc/64/14/84/385641484.db2.gz CARZNONSAYZXEF-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337425732 385654824 /nfs/dbraw/zinc/65/48/24/385654824.db2.gz WPSMRZFEMFYBKP-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO COC[C@@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337425732 385654826 /nfs/dbraw/zinc/65/48/26/385654826.db2.gz WPSMRZFEMFYBKP-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCSc1ncccn1 ZINC000188208036 385666083 /nfs/dbraw/zinc/66/60/83/385666083.db2.gz LWYXTLBONAZPCL-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C)CCOCC2)c[nH+]1 ZINC000270042724 385661454 /nfs/dbraw/zinc/66/14/54/385661454.db2.gz DGRBPYFRQGRKJG-UHFFFAOYSA-N 1 2 223.276 1.017 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCSc1ncccn1 ZINC000188208036 385666090 /nfs/dbraw/zinc/66/60/90/385666090.db2.gz LWYXTLBONAZPCL-SNVBAGLBSA-N 1 2 239.344 1.289 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000270202117 385684635 /nfs/dbraw/zinc/68/46/35/385684635.db2.gz MMFYETMCSLUZMR-QMMMGPOBSA-N 1 2 227.333 1.178 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)CCO1 ZINC000645219929 385685569 /nfs/dbraw/zinc/68/55/69/385685569.db2.gz MQRRSEYRIFRASB-VXGBXAGGSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)CCO1 ZINC000645219929 385685576 /nfs/dbraw/zinc/68/55/76/385685576.db2.gz MQRRSEYRIFRASB-VXGBXAGGSA-N 1 2 249.310 1.547 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCC=C(F)C2)CC1 ZINC000281626038 385686830 /nfs/dbraw/zinc/68/68/30/385686830.db2.gz KUSVSYAQBUJQLD-UHFFFAOYSA-N 1 2 227.279 1.889 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCC=C(F)C2)CC1 ZINC000281626038 385686834 /nfs/dbraw/zinc/68/68/34/385686834.db2.gz KUSVSYAQBUJQLD-UHFFFAOYSA-N 1 2 227.279 1.889 20 0 BDADLO CC(C)c1nc(NC[C@H](O)C(F)F)cc[nH+]1 ZINC000336735638 385707293 /nfs/dbraw/zinc/70/72/93/385707293.db2.gz IFXZBOXCMKJRBI-ZETCQYMHSA-N 1 2 231.246 1.060 20 0 BDADLO CC(C)c1nnc([C@@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000270712748 385732973 /nfs/dbraw/zinc/73/29/73/385732973.db2.gz LVXWIFCTBUFNLZ-MRVPVSSYSA-N 1 2 234.307 1.502 20 0 BDADLO FC(F)CNCc1[nH+]ccn1CC(F)(F)F ZINC000309603076 385738399 /nfs/dbraw/zinc/73/83/99/385738399.db2.gz XDWPYPWXRCSNBE-UHFFFAOYSA-N 1 2 243.179 1.800 20 0 BDADLO COC[C@H](O)CCNc1cc[nH+]c2ccncc12 ZINC000270804731 385747354 /nfs/dbraw/zinc/74/73/54/385747354.db2.gz OKWGNGAZBGXTIE-SNVBAGLBSA-N 1 2 247.298 1.439 20 0 BDADLO CC(C)=CC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307702689 385786481 /nfs/dbraw/zinc/78/64/81/385786481.db2.gz UPKOOFKETXTLEB-GWCFXTLKSA-N 1 2 201.335 1.405 20 0 BDADLO CC(C)=CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000307702689 385786484 /nfs/dbraw/zinc/78/64/84/385786484.db2.gz UPKOOFKETXTLEB-GWCFXTLKSA-N 1 2 201.335 1.405 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000309646565 385763918 /nfs/dbraw/zinc/76/39/18/385763918.db2.gz MNCOXTAZLLKOFN-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CC2(O)CCC2)no1 ZINC000353461118 385766643 /nfs/dbraw/zinc/76/66/43/385766643.db2.gz AHBGDRBOUVTTPX-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CC2(O)CCC2)no1 ZINC000353461118 385766649 /nfs/dbraw/zinc/76/66/49/385766649.db2.gz AHBGDRBOUVTTPX-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H]1CN(C(=O)Nc2cc[nH+]c(C)c2)C[C@H]1O ZINC000271012408 385770123 /nfs/dbraw/zinc/77/01/23/385770123.db2.gz IENCYLBWPRWYLV-CMPLNLGQSA-N 1 2 249.314 1.625 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccco2)n1 ZINC000271025171 385772971 /nfs/dbraw/zinc/77/29/71/385772971.db2.gz DWMNEGPDWQEPNS-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccco2)n1 ZINC000271025171 385772974 /nfs/dbraw/zinc/77/29/74/385772974.db2.gz DWMNEGPDWQEPNS-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OC[C@H]1CCCO1 ZINC000497162150 385773767 /nfs/dbraw/zinc/77/37/67/385773767.db2.gz DLTWCUMNCJGUMW-SNVBAGLBSA-N 1 2 239.275 1.157 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OC[C@H]1CCCO1 ZINC000497162150 385773771 /nfs/dbraw/zinc/77/37/71/385773771.db2.gz DLTWCUMNCJGUMW-SNVBAGLBSA-N 1 2 239.275 1.157 20 0 BDADLO c1nc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cs1 ZINC000309656689 385776122 /nfs/dbraw/zinc/77/61/22/385776122.db2.gz ZOANUJFGHFWTRA-VIFPVBQESA-N 1 2 234.328 1.513 20 0 BDADLO Nc1[nH+]cnc(NCCC2CC(O)C2)c1Cl ZINC000309596749 385724839 /nfs/dbraw/zinc/72/48/39/385724839.db2.gz IMVJENQKJJXWSO-UHFFFAOYSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NCCC2CC(O)C2)c1Cl ZINC000309596749 385724842 /nfs/dbraw/zinc/72/48/42/385724842.db2.gz IMVJENQKJJXWSO-UHFFFAOYSA-N 1 2 242.710 1.285 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CCc2nnc(C)[nH]2)nn1C ZINC000282954727 385799280 /nfs/dbraw/zinc/79/92/80/385799280.db2.gz ZKWHZACPOFIKRR-VIFPVBQESA-N 1 2 248.334 1.048 20 0 BDADLO CC(C)[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337854149 385804746 /nfs/dbraw/zinc/80/47/46/385804746.db2.gz GUIJMOUSAXGSHX-JTQLQIEISA-N 1 2 245.330 1.846 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000408471736 385805479 /nfs/dbraw/zinc/80/54/79/385805479.db2.gz ZRBZAQBCGJLIPY-DTWKUNHWSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)[nH]1 ZINC000408471736 385805486 /nfs/dbraw/zinc/80/54/86/385805486.db2.gz ZRBZAQBCGJLIPY-DTWKUNHWSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000408471738 385805689 /nfs/dbraw/zinc/80/56/89/385805689.db2.gz ZRBZAQBCGJLIPY-RKDXNWHRSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000408471738 385805692 /nfs/dbraw/zinc/80/56/92/385805692.db2.gz ZRBZAQBCGJLIPY-RKDXNWHRSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000271219495 385805878 /nfs/dbraw/zinc/80/58/78/385805878.db2.gz YHSXXBSITKNKCK-MMPTUQATSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000271219495 385805886 /nfs/dbraw/zinc/80/58/86/385805886.db2.gz YHSXXBSITKNKCK-MMPTUQATSA-N 1 2 241.356 1.929 20 0 BDADLO CC[C@H](OC)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283072605 385807466 /nfs/dbraw/zinc/80/74/66/385807466.db2.gz RWNOYVJTZUSROW-VHSXEESVSA-N 1 2 239.319 1.648 20 0 BDADLO CC[C@]1(C)CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000337846033 385808067 /nfs/dbraw/zinc/80/80/67/385808067.db2.gz CZFWICWFALHDTM-CYBMUJFWSA-N 1 2 245.330 1.990 20 0 BDADLO CCCCNC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000336740715 385819658 /nfs/dbraw/zinc/81/96/58/385819658.db2.gz QIUGTMHSHOKXAF-VIFPVBQESA-N 1 2 225.292 1.242 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@H]1C(F)F ZINC000337903975 385821672 /nfs/dbraw/zinc/82/16/72/385821672.db2.gz SUOVAMJVYVXZNN-HTQZYQBOSA-N 1 2 243.257 1.280 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCc2cncnc2C1 ZINC000528373730 385822264 /nfs/dbraw/zinc/82/22/64/385822264.db2.gz RCRGHGTTZZOYEC-MBXJOHMKSA-N 1 2 223.707 1.977 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCc2cncnc2C1 ZINC000528373730 385822267 /nfs/dbraw/zinc/82/22/67/385822267.db2.gz RCRGHGTTZZOYEC-MBXJOHMKSA-N 1 2 223.707 1.977 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C/C=C/c1ccccc1 ZINC000187013303 385824688 /nfs/dbraw/zinc/82/46/88/385824688.db2.gz GGEBWNGNETYDGE-YSKGHYERSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000187013303 385824693 /nfs/dbraw/zinc/82/46/93/385824693.db2.gz GGEBWNGNETYDGE-YSKGHYERSA-N 1 2 244.338 1.862 20 0 BDADLO CC[C@H](C[N@H+](C)Cc1cscn1)OC ZINC000412978031 385825917 /nfs/dbraw/zinc/82/59/17/385825917.db2.gz OTPZCCPPKBDBKS-SNVBAGLBSA-N 1 2 214.334 2.000 20 0 BDADLO CC[C@H](C[N@@H+](C)Cc1cscn1)OC ZINC000412978031 385825921 /nfs/dbraw/zinc/82/59/21/385825921.db2.gz OTPZCCPPKBDBKS-SNVBAGLBSA-N 1 2 214.334 2.000 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CSC(F)F ZINC000294272933 385831068 /nfs/dbraw/zinc/83/10/68/385831068.db2.gz ANIWVJHNALUEBJ-SSDOTTSWSA-N 1 2 249.286 1.344 20 0 BDADLO C=Cn1cc(C[NH2+]C(C)(C)c2nc(C)no2)cn1 ZINC000283848192 385836959 /nfs/dbraw/zinc/83/69/59/385836959.db2.gz FVFSRVMVKQIOAM-UHFFFAOYSA-N 1 2 247.302 1.700 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccccn1 ZINC000283996549 385844812 /nfs/dbraw/zinc/84/48/12/385844812.db2.gz JSWHQDRCOQHITG-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccccn1 ZINC000283996549 385844814 /nfs/dbraw/zinc/84/48/14/385844814.db2.gz JSWHQDRCOQHITG-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccon1 ZINC000271698496 385846370 /nfs/dbraw/zinc/84/63/70/385846370.db2.gz KQCSDEBWUQWWPR-MRVPVSSYSA-N 1 2 235.247 1.081 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](CO)CC1 ZINC000294400365 385847140 /nfs/dbraw/zinc/84/71/40/385847140.db2.gz DNDNFKUQZJACKV-UFFNRZRYSA-N 1 2 249.314 1.044 20 0 BDADLO CC(C)c1nc(N[C@H]2CCC[C@H](CO)C2)cc[nH+]1 ZINC000413618113 385849438 /nfs/dbraw/zinc/84/94/38/385849438.db2.gz UNVNIRNIYWMRNV-RYUDHWBXSA-N 1 2 249.358 1.985 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CC1CCCC1 ZINC000271819473 385853513 /nfs/dbraw/zinc/85/35/13/385853513.db2.gz OUPNPJGBGBVDKY-OAHLLOKOSA-N 1 2 226.345 1.859 20 0 BDADLO CCN(CCOC)C(=O)Nc1cc[nH+]cc1C ZINC000271141640 385793382 /nfs/dbraw/zinc/79/33/82/385793382.db2.gz QIQRLYRAJYIEIW-UHFFFAOYSA-N 1 2 237.303 1.890 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000338032089 385883762 /nfs/dbraw/zinc/88/37/62/385883762.db2.gz WURSDUJNJKNJNF-VIFPVBQESA-N 1 2 207.277 1.188 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1ccc(CO)cc1 ZINC000272205995 385884174 /nfs/dbraw/zinc/88/41/74/385884174.db2.gz BEWOYTOMMPABTD-UHFFFAOYSA-N 1 2 232.283 1.799 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1ccc(CO)cc1 ZINC000272205995 385884177 /nfs/dbraw/zinc/88/41/77/385884177.db2.gz BEWOYTOMMPABTD-UHFFFAOYSA-N 1 2 232.283 1.799 20 0 BDADLO COCc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000294960254 385928503 /nfs/dbraw/zinc/92/85/03/385928503.db2.gz IFKOKDIGWBPNGZ-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294704650 385886424 /nfs/dbraw/zinc/88/64/24/385886424.db2.gz FGMNCOVFTDJPJO-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294704650 385886428 /nfs/dbraw/zinc/88/64/28/385886428.db2.gz FGMNCOVFTDJPJO-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3ccccc3F)[C@H]12 ZINC000366639853 385893713 /nfs/dbraw/zinc/89/37/13/385893713.db2.gz JCWJMCOVBFSVHH-MFKMUULPSA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3ccccc3F)[C@H]12 ZINC000366639853 385893717 /nfs/dbraw/zinc/89/37/17/385893717.db2.gz JCWJMCOVBFSVHH-MFKMUULPSA-N 1 2 249.285 1.963 20 0 BDADLO C[C@@H](CC(N)=O)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000272316583 385894562 /nfs/dbraw/zinc/89/45/62/385894562.db2.gz UWUHZKRDSJEQSO-JTQLQIEISA-N 1 2 248.330 1.358 20 0 BDADLO C[C@H]1C[C@H](C)CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647845271 385896866 /nfs/dbraw/zinc/89/68/66/385896866.db2.gz ZHJNHCGDVPQVMG-UWVGGRQHSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647845271 385896868 /nfs/dbraw/zinc/89/68/68/385896868.db2.gz ZHJNHCGDVPQVMG-UWVGGRQHSA-N 1 2 248.330 1.763 20 0 BDADLO Cc1nc(NC[C@H]2CCCS2)nc(N)[nH+]1 ZINC000308914189 385909097 /nfs/dbraw/zinc/90/90/97/385909097.db2.gz XOLVWEYWHUFQBU-SSDOTTSWSA-N 1 2 225.321 1.070 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCCS2)[nH+]1 ZINC000308914189 385909102 /nfs/dbraw/zinc/90/91/02/385909102.db2.gz XOLVWEYWHUFQBU-SSDOTTSWSA-N 1 2 225.321 1.070 20 0 BDADLO CC[C@H](CO)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000294887097 385909956 /nfs/dbraw/zinc/90/99/56/385909956.db2.gz GQYYBNMREDZYJF-LLVKDONJSA-N 1 2 235.331 1.870 20 0 BDADLO C[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647861001 385918202 /nfs/dbraw/zinc/91/82/02/385918202.db2.gz IPDQRJUICOYFNQ-JTQLQIEISA-N 1 2 248.330 1.907 20 0 BDADLO C[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000647861001 385918205 /nfs/dbraw/zinc/91/82/05/385918205.db2.gz IPDQRJUICOYFNQ-JTQLQIEISA-N 1 2 248.330 1.907 20 0 BDADLO CN(C(=O)[C@H]([NH3+])c1c(F)cccc1F)C1CC1 ZINC000335035633 385925294 /nfs/dbraw/zinc/92/52/94/385925294.db2.gz WQPROIMOFUFXNS-LLVKDONJSA-N 1 2 240.253 1.585 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(OC)ccc1F ZINC000294518378 385861206 /nfs/dbraw/zinc/86/12/06/385861206.db2.gz CKAWGGPAMLTCPF-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(OC)ccc1F ZINC000294518378 385861210 /nfs/dbraw/zinc/86/12/10/385861210.db2.gz CKAWGGPAMLTCPF-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CC(C)CCCS(=O)(=O)Cc1c[nH+]cn1C ZINC000271971103 385864750 /nfs/dbraw/zinc/86/47/50/385864750.db2.gz UORRWJUNNZIQSY-UHFFFAOYSA-N 1 2 244.360 1.771 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000414588977 385865783 /nfs/dbraw/zinc/86/57/83/385865783.db2.gz WCKWDIRXFWAOKF-SZESAMFPSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000414588977 385865785 /nfs/dbraw/zinc/86/57/85/385865785.db2.gz WCKWDIRXFWAOKF-SZESAMFPSA-N 1 2 248.326 1.176 20 0 BDADLO Cc1coc(C)c1C(=O)NCCCn1cc[nH+]c1 ZINC000284405421 385866668 /nfs/dbraw/zinc/86/66/68/385866668.db2.gz RIBZRHYLTLBFGL-UHFFFAOYSA-N 1 2 247.298 1.913 20 0 BDADLO Cc1cc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)no1 ZINC000647809130 385867338 /nfs/dbraw/zinc/86/73/38/385867338.db2.gz UFPDQTMHDVHFMT-MRVPVSSYSA-N 1 2 234.259 1.126 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2cccnc2)n1 ZINC000272016461 385868213 /nfs/dbraw/zinc/86/82/13/385868213.db2.gz UREZVGAMUFGXBP-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2cccnc2)n1 ZINC000272016461 385868217 /nfs/dbraw/zinc/86/82/17/385868217.db2.gz UREZVGAMUFGXBP-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1ccc(C[N@H+](Cc2ccncc2)C2CC2)n1 ZINC000272034228 385869577 /nfs/dbraw/zinc/86/95/77/385869577.db2.gz NLQJLZMMAJPBLU-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1ccc(C[N@@H+](Cc2ccncc2)C2CC2)n1 ZINC000272034228 385869581 /nfs/dbraw/zinc/86/95/81/385869581.db2.gz NLQJLZMMAJPBLU-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C[N@H+](CCCO)Cc1c(F)ccc(O)c1F ZINC000294673093 385879382 /nfs/dbraw/zinc/87/93/82/385879382.db2.gz MIUFMAUIVMILAF-UHFFFAOYSA-N 1 2 231.242 1.485 20 0 BDADLO C[N@@H+](CCCO)Cc1c(F)ccc(O)c1F ZINC000294673093 385879387 /nfs/dbraw/zinc/87/93/87/385879387.db2.gz MIUFMAUIVMILAF-UHFFFAOYSA-N 1 2 231.242 1.485 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OC ZINC000336720838 385880537 /nfs/dbraw/zinc/88/05/37/385880537.db2.gz DEDLVUAZNJZYOT-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO COCc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000294960254 385928498 /nfs/dbraw/zinc/92/84/98/385928498.db2.gz IFKOKDIGWBPNGZ-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000338345552 385975249 /nfs/dbraw/zinc/97/52/49/385975249.db2.gz AOPBMEBAJDYJBT-APPZFPTMSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000338345552 385975257 /nfs/dbraw/zinc/97/52/57/385975257.db2.gz AOPBMEBAJDYJBT-APPZFPTMSA-N 1 2 241.360 1.610 20 0 BDADLO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414136595 385983104 /nfs/dbraw/zinc/98/31/04/385983104.db2.gz FPNABAABHAODJN-UWVGGRQHSA-N 1 2 210.325 1.021 20 0 BDADLO COC(=O)C[N@H+](C)Cc1c(C)cccc1C ZINC000096812137 385986330 /nfs/dbraw/zinc/98/63/30/385986330.db2.gz GFJZHRDPWYUXTP-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1c(C)cccc1C ZINC000096812137 385986334 /nfs/dbraw/zinc/98/63/34/385986334.db2.gz GFJZHRDPWYUXTP-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@H](F)C1 ZINC000345084209 385991331 /nfs/dbraw/zinc/99/13/31/385991331.db2.gz VSOLLORZQKRDML-VHSXEESVSA-N 1 2 240.282 1.073 20 0 BDADLO CC(C)c1nnc(CNc2cccc[nH+]2)n1C ZINC000273352699 385992007 /nfs/dbraw/zinc/99/20/07/385992007.db2.gz VKYLCRIRNTXPCA-UHFFFAOYSA-N 1 2 231.303 1.946 20 0 BDADLO O=C(CCc1cncc(F)c1)NCc1c[nH+]c[nH]1 ZINC000342091144 385937581 /nfs/dbraw/zinc/93/75/81/385937581.db2.gz DTOFIPAHCKMBPF-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(CCc1cncc(F)c1)NCc1c[nH]c[nH+]1 ZINC000342091144 385937587 /nfs/dbraw/zinc/93/75/87/385937587.db2.gz DTOFIPAHCKMBPF-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295011759 385939885 /nfs/dbraw/zinc/93/98/85/385939885.db2.gz MCYDMFDUJPQQBL-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295011759 385939895 /nfs/dbraw/zinc/93/98/95/385939895.db2.gz MCYDMFDUJPQQBL-QMMMGPOBSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1noc([C@H]2CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000285534876 385940852 /nfs/dbraw/zinc/94/08/52/385940852.db2.gz FQZPBXRDYVFCIL-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO Cc1noc([C@H]2CCCN2Cc2c[nH]c[nH+]2)n1 ZINC000285534876 385940858 /nfs/dbraw/zinc/94/08/58/385940858.db2.gz FQZPBXRDYVFCIL-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO C[C@H](O)C(C)(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000272835515 385940830 /nfs/dbraw/zinc/94/08/30/385940830.db2.gz OSVVJOBMQCYNIT-VIFPVBQESA-N 1 2 247.298 1.224 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC(C)(O)CC2)s1 ZINC000338288666 385942301 /nfs/dbraw/zinc/94/23/01/385942301.db2.gz RJXWNDKMUPULAE-QMMMGPOBSA-N 1 2 241.360 1.754 20 0 BDADLO CO[C@@H](C)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000272857284 385943510 /nfs/dbraw/zinc/94/35/10/385943510.db2.gz RKGATQTZKJKCTM-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO CCNC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000335049638 385947168 /nfs/dbraw/zinc/94/71/68/385947168.db2.gz HTNJESXJIJGJDR-UHFFFAOYSA-N 1 2 232.287 1.462 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295065628 385956783 /nfs/dbraw/zinc/95/67/83/385956783.db2.gz CEBPOJFULBHOIO-LBPRGKRZSA-N 1 2 249.358 1.770 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295065628 385956790 /nfs/dbraw/zinc/95/67/90/385956790.db2.gz CEBPOJFULBHOIO-LBPRGKRZSA-N 1 2 249.358 1.770 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1[nH+]ccn1C ZINC000285694915 385958790 /nfs/dbraw/zinc/95/87/90/385958790.db2.gz RXQMFCUNPGPLGH-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000295093447 385962441 /nfs/dbraw/zinc/96/24/41/385962441.db2.gz FOXMHHUCGDEMLR-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295093447 385962451 /nfs/dbraw/zinc/96/24/51/385962451.db2.gz FOXMHHUCGDEMLR-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000295100773 385968292 /nfs/dbraw/zinc/96/82/92/385968292.db2.gz SSWVWORCPGHESR-NSHDSACASA-N 1 2 238.335 1.002 20 0 BDADLO C[C@@H](C[S@@](C)=O)Nc1cc[nH+]c2ccncc12 ZINC000273109949 385970023 /nfs/dbraw/zinc/97/00/23/385970023.db2.gz GFJARWDAKCAILL-HUTHGQBESA-N 1 2 249.339 1.809 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)cn1 ZINC000273138084 385972958 /nfs/dbraw/zinc/97/29/58/385972958.db2.gz RTNOIMZWJGVRDO-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccccn2)n1 ZINC000273400761 385998345 /nfs/dbraw/zinc/99/83/45/385998345.db2.gz MGNTYQHEHGJWDB-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccccn2)n1 ZINC000273400761 385998352 /nfs/dbraw/zinc/99/83/52/385998352.db2.gz MGNTYQHEHGJWDB-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cc1cnc(NC(=O)NCc2ccc(N)[nH+]c2)o1 ZINC000338424963 385999011 /nfs/dbraw/zinc/99/90/11/385999011.db2.gz VHDHDAMEHINILY-UHFFFAOYSA-N 1 2 247.258 1.112 20 0 BDADLO CCCc1nc(C(=O)NCc2[nH]cc[nH+]2)co1 ZINC000273532563 386009778 /nfs/dbraw/zinc/00/97/78/386009778.db2.gz RIWGDLKCBPFQBB-UHFFFAOYSA-N 1 2 234.259 1.280 20 0 BDADLO CC[C@H](O)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000643261018 386010829 /nfs/dbraw/zinc/01/08/29/386010829.db2.gz VLDYGXWRYZMOLM-JTQLQIEISA-N 1 2 248.286 1.227 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@H]1C ZINC000454958181 386013564 /nfs/dbraw/zinc/01/35/64/386013564.db2.gz LKVBNPTZUJELFC-NXEZZACHSA-N 1 2 236.319 1.501 20 0 BDADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000336752190 386015333 /nfs/dbraw/zinc/01/53/33/386015333.db2.gz FXRWTHRVJLSFCI-ZETCQYMHSA-N 1 2 212.297 1.425 20 0 BDADLO COC(=O)c1ccc(NCc2c[nH+]cn2C)cn1 ZINC000273603439 386016789 /nfs/dbraw/zinc/01/67/89/386016789.db2.gz NTGNTONBUQCAPH-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO CC1(C)[C@@H]2CN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000647869209 386018311 /nfs/dbraw/zinc/01/83/11/386018311.db2.gz AQRCMWJTOHPABD-DTORHVGOSA-N 1 2 246.314 1.373 20 0 BDADLO CC1(C)[C@@H]2CN(c3[nH+]cnc4c3OCCN4)C[C@@H]21 ZINC000647869209 386018314 /nfs/dbraw/zinc/01/83/14/386018314.db2.gz AQRCMWJTOHPABD-DTORHVGOSA-N 1 2 246.314 1.373 20 0 BDADLO COc1cnccc1[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000189569716 386027632 /nfs/dbraw/zinc/02/76/32/386027632.db2.gz QNABIBOXIGTEPE-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C(C)C)C1COC1 ZINC000295412533 386028539 /nfs/dbraw/zinc/02/85/39/386028539.db2.gz MVDCXABASRKAHL-UHFFFAOYSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@H+](C(C)C)C1COC1 ZINC000295412533 386028545 /nfs/dbraw/zinc/02/85/45/386028545.db2.gz MVDCXABASRKAHL-UHFFFAOYSA-N 1 2 224.304 1.901 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1cncn1C ZINC000156935017 386030337 /nfs/dbraw/zinc/03/03/37/386030337.db2.gz PANWCLGNWURRHR-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2ccncc2C)n1 ZINC000414640181 386030412 /nfs/dbraw/zinc/03/04/12/386030412.db2.gz HLLMGZOZHFMZJE-ONEGZZNKSA-N 1 2 230.271 1.663 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1cncn1C ZINC000156935017 386030342 /nfs/dbraw/zinc/03/03/42/386030342.db2.gz PANWCLGNWURRHR-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO CN(Cc1cccn1C)Cc1c[nH+]cn1C ZINC000156935017 386030346 /nfs/dbraw/zinc/03/03/46/386030346.db2.gz PANWCLGNWURRHR-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12CC[C@H](C)[C@@H](C)C2 ZINC000414195758 386032512 /nfs/dbraw/zinc/03/25/12/386032512.db2.gz ZCOLXRSQXXSHFW-GMXVVIOVSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12CC[C@H](C)[C@@H](C)C2 ZINC000414195758 386032516 /nfs/dbraw/zinc/03/25/16/386032516.db2.gz ZCOLXRSQXXSHFW-GMXVVIOVSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12CC[C@H](C)[C@H](C)C2 ZINC000414195750 386033505 /nfs/dbraw/zinc/03/35/05/386033505.db2.gz ZCOLXRSQXXSHFW-DMDPSCGWSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12CC[C@H](C)[C@H](C)C2 ZINC000414195750 386033510 /nfs/dbraw/zinc/03/35/10/386033510.db2.gz ZCOLXRSQXXSHFW-DMDPSCGWSA-N 1 2 224.348 1.981 20 0 BDADLO Cc1cncc(C[N@H+](C2CC2)C2COC2)c1 ZINC000295466608 386038482 /nfs/dbraw/zinc/03/84/82/386038482.db2.gz QLMZTGIXGUSXPO-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cncc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000295466608 386038486 /nfs/dbraw/zinc/03/84/86/386038486.db2.gz QLMZTGIXGUSXPO-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CCC[C@H](F)C2)n1 ZINC000335074178 386038695 /nfs/dbraw/zinc/03/86/95/386038695.db2.gz AFVLJQMLBOQGBX-SFYZADRCSA-N 1 2 213.256 1.785 20 0 BDADLO CCCCC[N@@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000414205062 386043808 /nfs/dbraw/zinc/04/38/08/386043808.db2.gz IIOKDFPNYUFQSD-AAEUAGOBSA-N 1 2 240.347 1.504 20 0 BDADLO CCCCC[N@H+]1CC(=O)N[C@@]12CCO[C@@H](C)C2 ZINC000414205062 386043813 /nfs/dbraw/zinc/04/38/13/386043813.db2.gz IIOKDFPNYUFQSD-AAEUAGOBSA-N 1 2 240.347 1.504 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccncc1F)c1ncnn1C ZINC000340508059 386057453 /nfs/dbraw/zinc/05/74/53/386057453.db2.gz IHXGWYKXKZZMNH-IUCAKERBSA-N 1 2 249.293 1.761 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000334439561 386048061 /nfs/dbraw/zinc/04/80/61/386048061.db2.gz LBDBFNGGELNEET-GHMZBOCLSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000334439561 386048066 /nfs/dbraw/zinc/04/80/66/386048066.db2.gz LBDBFNGGELNEET-GHMZBOCLSA-N 1 2 237.347 1.816 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccsc2C)n1 ZINC000414645275 386051084 /nfs/dbraw/zinc/05/10/84/386051084.db2.gz QMJCGJVHUMKYHX-UHFFFAOYSA-N 1 2 223.301 1.750 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C(F)F)no2)CC[C@@H]1O ZINC000425433002 386053135 /nfs/dbraw/zinc/05/31/35/386053135.db2.gz MNLDUXNICCAMIM-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C(F)F)no2)CC[C@@H]1O ZINC000425433002 386053139 /nfs/dbraw/zinc/05/31/39/386053139.db2.gz MNLDUXNICCAMIM-BQBZGAKWSA-N 1 2 247.245 1.210 20 0 BDADLO Cc1nc(N2CC[C@](F)(CO)C2)c(C)c(C)[nH+]1 ZINC000338416747 385996042 /nfs/dbraw/zinc/99/60/42/385996042.db2.gz ISVICMYSPCLDQZ-GFCCVEGCSA-N 1 2 239.294 1.313 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]1C(F)(F)F ZINC000647754145 386104724 /nfs/dbraw/zinc/10/47/24/386104724.db2.gz KGYLNURDDWPYHF-QMMMGPOBSA-N 1 2 247.220 1.436 20 0 BDADLO C[C@]1(F)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000334459777 386110057 /nfs/dbraw/zinc/11/00/57/386110057.db2.gz TUEIJGGYCAFEAD-LBPRGKRZSA-N 1 2 228.311 1.433 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000334459777 386110058 /nfs/dbraw/zinc/11/00/58/386110058.db2.gz TUEIJGGYCAFEAD-LBPRGKRZSA-N 1 2 228.311 1.433 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cc(F)ncc1F ZINC000295954625 386112219 /nfs/dbraw/zinc/11/22/19/386112219.db2.gz HINBENIPSFFTBG-MRVPVSSYSA-N 1 2 230.258 1.827 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cc(F)ncc1F ZINC000295954625 386112225 /nfs/dbraw/zinc/11/22/25/386112225.db2.gz HINBENIPSFFTBG-MRVPVSSYSA-N 1 2 230.258 1.827 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1cn[nH]c1 ZINC000274081872 386066756 /nfs/dbraw/zinc/06/67/56/386066756.db2.gz QRVIJWIVVHNEPL-SSDOTTSWSA-N 1 2 239.710 1.647 20 0 BDADLO Cc1[nH]c(C(=O)NCCSC(C)C)c[nH+]1 ZINC000286683223 386067620 /nfs/dbraw/zinc/06/76/20/386067620.db2.gz KKKPAYYYZNTAQH-UHFFFAOYSA-N 1 2 227.333 1.590 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000334440569 386069099 /nfs/dbraw/zinc/06/90/99/386069099.db2.gz XHTWYJIAUNQKCO-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000334440569 386069104 /nfs/dbraw/zinc/06/91/04/386069104.db2.gz XHTWYJIAUNQKCO-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](C/C=C/Cl)[C@@H]12 ZINC000366643082 386069561 /nfs/dbraw/zinc/06/95/61/386069561.db2.gz OLNXIWUQMLDIFP-IADVWXNBSA-N 1 2 215.680 1.376 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](C/C=C/Cl)[C@@H]12 ZINC000366643082 386069563 /nfs/dbraw/zinc/06/95/63/386069563.db2.gz OLNXIWUQMLDIFP-IADVWXNBSA-N 1 2 215.680 1.376 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2Cc3c(cccc3C)O2)n1 ZINC000414651392 386070268 /nfs/dbraw/zinc/07/02/68/386070268.db2.gz ZDHSWANUPKQDPY-NSHDSACASA-N 1 2 245.282 1.774 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338586820 386071620 /nfs/dbraw/zinc/07/16/20/386071620.db2.gz HKHWPLUVYISUJL-GFCCVEGCSA-N 1 2 241.310 1.370 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338586820 386071624 /nfs/dbraw/zinc/07/16/24/386071624.db2.gz HKHWPLUVYISUJL-GFCCVEGCSA-N 1 2 241.310 1.370 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@@](=O)[C@@H](C)C2)cc1 ZINC000335944706 386072583 /nfs/dbraw/zinc/07/25/83/386072583.db2.gz BXPIWNHJQSCBTE-BLLLJJGKSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@@](=O)[C@@H](C)C2)cc1 ZINC000335944706 386072591 /nfs/dbraw/zinc/07/25/91/386072591.db2.gz BXPIWNHJQSCBTE-BLLLJJGKSA-N 1 2 237.368 1.948 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000334445132 386078190 /nfs/dbraw/zinc/07/81/90/386078190.db2.gz OBIKGAIBPDVARI-MWLCHTKSSA-N 1 2 229.283 1.863 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000440689878 386079998 /nfs/dbraw/zinc/07/99/98/386079998.db2.gz DXLSWFZNBARZDG-VXGBXAGGSA-N 1 2 241.310 1.332 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000440689878 386080005 /nfs/dbraw/zinc/08/00/05/386080005.db2.gz DXLSWFZNBARZDG-VXGBXAGGSA-N 1 2 241.310 1.332 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)C[C@@H]1C ZINC000334446131 386081175 /nfs/dbraw/zinc/08/11/75/386081175.db2.gz GWRBCQRHSZKMQH-VIFPVBQESA-N 1 2 223.320 1.427 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)C[C@@H]1C ZINC000334446131 386081177 /nfs/dbraw/zinc/08/11/77/386081177.db2.gz GWRBCQRHSZKMQH-VIFPVBQESA-N 1 2 223.320 1.427 20 0 BDADLO O=C(c1cccnc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334448824 386083625 /nfs/dbraw/zinc/08/36/25/386083625.db2.gz RLKHDXVCHDZVNW-LLVKDONJSA-N 1 2 242.282 1.782 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CCC1CC1)C(=O)OC ZINC000336772747 386094926 /nfs/dbraw/zinc/09/49/26/386094926.db2.gz VPYZXKAOSZLMCB-GXSJLCMTSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000334448074 386095006 /nfs/dbraw/zinc/09/50/06/386095006.db2.gz ILJLOGNMXZUJAT-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cn1 ZINC000334448074 386095012 /nfs/dbraw/zinc/09/50/12/386095012.db2.gz ILJLOGNMXZUJAT-RYUDHWBXSA-N 1 2 224.279 1.295 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425455756 386098246 /nfs/dbraw/zinc/09/82/46/386098246.db2.gz GYOHXTSYTAFOJC-ZCFIWIBFSA-N 1 2 235.234 1.474 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425455756 386098251 /nfs/dbraw/zinc/09/82/51/386098251.db2.gz GYOHXTSYTAFOJC-ZCFIWIBFSA-N 1 2 235.234 1.474 20 0 BDADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCO1 ZINC000274766082 386147663 /nfs/dbraw/zinc/14/76/63/386147663.db2.gz ZHRUJBREWOEWRL-UHFFFAOYSA-N 1 2 244.254 1.045 20 0 BDADLO CCC1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000643296272 386151025 /nfs/dbraw/zinc/15/10/25/386151025.db2.gz VPNNROGFSIUKOF-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO Cc1nc(NCC[C@H]2CCCCO2)nc(N)[nH+]1 ZINC000310173664 386153619 /nfs/dbraw/zinc/15/36/19/386153619.db2.gz QHUBAFILBSKRIH-SECBINFHSA-N 1 2 237.307 1.133 20 0 BDADLO Cc1nc(N)nc(NCC[C@H]2CCCCO2)[nH+]1 ZINC000310173664 386153626 /nfs/dbraw/zinc/15/36/26/386153626.db2.gz QHUBAFILBSKRIH-SECBINFHSA-N 1 2 237.307 1.133 20 0 BDADLO Cn1cc(C[NH2+][C@H]2CCOc3ccccc32)nn1 ZINC000054859933 386154756 /nfs/dbraw/zinc/15/47/56/386154756.db2.gz HPPXYSOFNZTREE-LBPRGKRZSA-N 1 2 244.298 1.429 20 0 BDADLO COC(=O)C[N@H+](Cc1ccoc1C)C(C)C ZINC000414370577 386157457 /nfs/dbraw/zinc/15/74/57/386157457.db2.gz KSOVPBPZLVKYQF-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccoc1C)C(C)C ZINC000414370577 386157462 /nfs/dbraw/zinc/15/74/62/386157462.db2.gz KSOVPBPZLVKYQF-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO C[C@H](CF)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000287987635 386159102 /nfs/dbraw/zinc/15/91/02/386159102.db2.gz AGMSGONFFPBDDK-SECBINFHSA-N 1 2 248.261 1.355 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000440800852 386159870 /nfs/dbraw/zinc/15/98/70/386159870.db2.gz XHHLGFSAJLRECS-GARJFASQSA-N 1 2 228.311 1.478 20 0 BDADLO CC[C@H](F)C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000440800852 386159874 /nfs/dbraw/zinc/15/98/74/386159874.db2.gz XHHLGFSAJLRECS-GARJFASQSA-N 1 2 228.311 1.478 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000334477347 386162525 /nfs/dbraw/zinc/16/25/25/386162525.db2.gz PZSXIYXGXXSJFM-WDEREUQCSA-N 1 2 207.277 1.163 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000334477347 386162530 /nfs/dbraw/zinc/16/25/30/386162530.db2.gz PZSXIYXGXXSJFM-WDEREUQCSA-N 1 2 207.277 1.163 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425495474 386177055 /nfs/dbraw/zinc/17/70/55/386177055.db2.gz SQQPAUXWCMFFNN-LURJTMIESA-N 1 2 249.286 1.945 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425495474 386177059 /nfs/dbraw/zinc/17/70/59/386177059.db2.gz SQQPAUXWCMFFNN-LURJTMIESA-N 1 2 249.286 1.945 20 0 BDADLO CCC[C@H]1C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288228064 386178157 /nfs/dbraw/zinc/17/81/57/386178157.db2.gz VGINBPSQHMEQOQ-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)nc1 ZINC000346191789 386180788 /nfs/dbraw/zinc/18/07/88/386180788.db2.gz QPGFJEFCHBMDQF-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)nc1 ZINC000346191789 386180791 /nfs/dbraw/zinc/18/07/91/386180791.db2.gz QPGFJEFCHBMDQF-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cncc(F)c1 ZINC000275108702 386181076 /nfs/dbraw/zinc/18/10/76/386181076.db2.gz FPTVGPINXVPOPE-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cncc(F)c1 ZINC000275108702 386181078 /nfs/dbraw/zinc/18/10/78/386181078.db2.gz FPTVGPINXVPOPE-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO CC/C=C/CNC(=O)NCc1[nH+]ccn1C ZINC000296539860 386182329 /nfs/dbraw/zinc/18/23/29/386182329.db2.gz VFQGJZWJZQGKJV-SNAWJCMRSA-N 1 2 222.292 1.186 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274611007 386128750 /nfs/dbraw/zinc/12/87/50/386128750.db2.gz ONCJEHQXBPTVJU-UTUOFQBUSA-N 1 2 235.331 1.680 20 0 BDADLO CC[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414375394 386189181 /nfs/dbraw/zinc/18/91/81/386189181.db2.gz YGISDKQEIDHXFI-UHFFFAOYSA-N 1 2 233.358 1.603 20 0 BDADLO CC[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414375394 386189183 /nfs/dbraw/zinc/18/91/83/386189183.db2.gz YGISDKQEIDHXFI-UHFFFAOYSA-N 1 2 233.358 1.603 20 0 BDADLO CCc1nnc(C[NH+]2C[C@@H](C)S[C@H](C)C2)[nH]1 ZINC000335143027 386140512 /nfs/dbraw/zinc/14/05/12/386140512.db2.gz BEZCZAZIEBFBEQ-RKDXNWHRSA-N 1 2 240.376 1.693 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338793066 386141094 /nfs/dbraw/zinc/14/10/94/386141094.db2.gz NSXRKPMFYOABRL-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338793066 386141099 /nfs/dbraw/zinc/14/10/99/386141099.db2.gz NSXRKPMFYOABRL-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cncc(C[NH2+]Cc2cocn2)c1 ZINC000336742646 386202296 /nfs/dbraw/zinc/20/22/96/386202296.db2.gz XHRMRIJCRJOFPT-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CC/C=C/CNC(=O)NCc1c[nH+]ccc1OC ZINC000296926607 386211797 /nfs/dbraw/zinc/21/17/97/386211797.db2.gz DGFZUYLOIMEWCR-SNAWJCMRSA-N 1 2 249.314 1.856 20 0 BDADLO CN(CC(C)(C)C)C(=O)NCc1[nH+]ccn1C ZINC000264195356 386215403 /nfs/dbraw/zinc/21/54/03/386215403.db2.gz PEHRQZNQHDYTIH-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1cncc(F)c1 ZINC000347072887 386215902 /nfs/dbraw/zinc/21/59/02/386215902.db2.gz CGOKBVXOBRSFES-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1cncc(F)c1 ZINC000347072887 386215906 /nfs/dbraw/zinc/21/59/06/386215906.db2.gz CGOKBVXOBRSFES-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)CCOCC1CC1 ZINC000347033319 386223378 /nfs/dbraw/zinc/22/33/78/386223378.db2.gz MXSPIOUTTVJBLE-JTQLQIEISA-N 1 2 238.335 1.235 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)CCOCC1CC1 ZINC000347033319 386223381 /nfs/dbraw/zinc/22/33/81/386223381.db2.gz MXSPIOUTTVJBLE-JTQLQIEISA-N 1 2 238.335 1.235 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCc1[nH]cc[nH+]1 ZINC000416162436 386229559 /nfs/dbraw/zinc/22/95/59/386229559.db2.gz VCBMCRRMQRZVIQ-VIFPVBQESA-N 1 2 225.292 1.087 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000288765842 386232335 /nfs/dbraw/zinc/23/23/35/386232335.db2.gz JGLUAMFBAKTLBX-UHFFFAOYSA-N 1 2 244.298 1.600 20 0 BDADLO Nc1ccnc(C[N@H+]2CCCc3occc3C2)n1 ZINC000288765842 386232340 /nfs/dbraw/zinc/23/23/40/386232340.db2.gz JGLUAMFBAKTLBX-UHFFFAOYSA-N 1 2 244.298 1.600 20 0 BDADLO c1cnn(CCCNc2cccc[nH+]2)c1 ZINC000132387231 386232647 /nfs/dbraw/zinc/23/26/47/386232647.db2.gz XRIJOFCDFOEICI-UHFFFAOYSA-N 1 2 202.261 1.780 20 0 BDADLO COCc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000180185494 386237979 /nfs/dbraw/zinc/23/79/79/386237979.db2.gz QCSNMBFTIIFAOB-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO COCc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000180185494 386237987 /nfs/dbraw/zinc/23/79/87/386237987.db2.gz QCSNMBFTIIFAOB-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO CCN(C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000264462266 386239153 /nfs/dbraw/zinc/23/91/53/386239153.db2.gz PEGMJKRKYFEWHB-UHFFFAOYSA-N 1 2 224.308 1.360 20 0 BDADLO CCC[C@](C)(O)CNc1[nH+]cnc2c1cnn2C ZINC000226234192 386240575 /nfs/dbraw/zinc/24/05/75/386240575.db2.gz ZXAVJJKNAWIJEM-LBPRGKRZSA-N 1 2 249.318 1.326 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ncn(C)n1 ZINC000275837680 386243701 /nfs/dbraw/zinc/24/37/01/386243701.db2.gz PFHXTKLVPUUIPS-QMMMGPOBSA-N 1 2 244.302 1.656 20 0 BDADLO CC(C)C(C)(C)C(=O)NCc1[nH+]ccn1C ZINC000275885954 386249863 /nfs/dbraw/zinc/24/98/63/386249863.db2.gz RIJBOOJRMDUKMH-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1nnc(NCCCn2cc[nH+]c2)o1 ZINC000265570082 386258028 /nfs/dbraw/zinc/25/80/28/386258028.db2.gz HDNWSGDZSVVPFT-UHFFFAOYSA-N 1 2 207.237 1.077 20 0 BDADLO Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)s1 ZINC000275190806 386192145 /nfs/dbraw/zinc/19/21/45/386192145.db2.gz FORVBNGRGKMULX-UHFFFAOYSA-N 1 2 238.356 1.879 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1cc[nH]n1 ZINC000346246697 386193079 /nfs/dbraw/zinc/19/30/79/386193079.db2.gz UKNLXSAMPRIJNR-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1cc[nH]n1 ZINC000346246697 386193081 /nfs/dbraw/zinc/19/30/81/386193081.db2.gz UKNLXSAMPRIJNR-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cs1 ZINC000296727073 386197016 /nfs/dbraw/zinc/19/70/16/386197016.db2.gz JJVODIZXYVSAQF-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cs1 ZINC000296727073 386197021 /nfs/dbraw/zinc/19/70/21/386197021.db2.gz JJVODIZXYVSAQF-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO CCCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191024368 386199639 /nfs/dbraw/zinc/19/96/39/386199639.db2.gz JIKAWYRFLXAEOF-AEJSXWLSSA-N 1 2 217.309 1.077 20 0 BDADLO CO[C@H]1CCC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000340583545 386281361 /nfs/dbraw/zinc/28/13/61/386281361.db2.gz HNJGMJYCILAMBR-KOLCDFICSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@H]1CCC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000340583545 386281371 /nfs/dbraw/zinc/28/13/71/386281371.db2.gz HNJGMJYCILAMBR-KOLCDFICSA-N 1 2 237.303 1.231 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccsc2)c[nH+]1 ZINC000264906240 386282390 /nfs/dbraw/zinc/28/23/90/386282390.db2.gz YIBYSZDKPIJOTK-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2ccon2)c1 ZINC000336665661 386289031 /nfs/dbraw/zinc/28/90/31/386289031.db2.gz IXXORHVHVKWBKC-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2ccon2)c1 ZINC000336665661 386289038 /nfs/dbraw/zinc/28/90/38/386289038.db2.gz IXXORHVHVKWBKC-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000276231320 386289701 /nfs/dbraw/zinc/28/97/01/386289701.db2.gz NCSZJGHITIVHCR-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000276231320 386289708 /nfs/dbraw/zinc/28/97/08/386289708.db2.gz NCSZJGHITIVHCR-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO Cc1[nH]c(C(=O)NCCSC(C)(C)C)c[nH+]1 ZINC000264962551 386290593 /nfs/dbraw/zinc/29/05/93/386290593.db2.gz WWOJTGPKRIMLRR-UHFFFAOYSA-N 1 2 241.360 1.980 20 0 BDADLO CCC(=O)N1CC[N@H+](CCOCC(C)C)C1 ZINC000425509474 386296588 /nfs/dbraw/zinc/29/65/88/386296588.db2.gz IOWCDLZGJLOFFK-UHFFFAOYSA-N 1 2 228.336 1.171 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCOCC(C)C)C1 ZINC000425509474 386296592 /nfs/dbraw/zinc/29/65/92/386296592.db2.gz IOWCDLZGJLOFFK-UHFFFAOYSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@H]2C[C@@H]2C)[nH+]cn1 ZINC000298166203 386302457 /nfs/dbraw/zinc/30/24/57/386302457.db2.gz FJVYNSNNGNCNBO-LPEHRKFASA-N 1 2 236.319 1.337 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@H]2C[C@@H]2C)nc[nH+]1 ZINC000298166203 386302466 /nfs/dbraw/zinc/30/24/66/386302466.db2.gz FJVYNSNNGNCNBO-LPEHRKFASA-N 1 2 236.319 1.337 20 0 BDADLO Cc1ncsc1CC[NH+]1CCS(=O)CC1 ZINC000334481426 386304254 /nfs/dbraw/zinc/30/42/54/386304254.db2.gz VKOAJUQYSHHQSS-UHFFFAOYSA-N 1 2 244.385 1.058 20 0 BDADLO CCC(=O)N1CCN(Cc2cc(OC)cc[nH+]2)C1 ZINC000425519611 386309699 /nfs/dbraw/zinc/30/96/99/386309699.db2.gz OZAUSPVHXLTUJH-UHFFFAOYSA-N 1 2 249.314 1.102 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000276379558 386313849 /nfs/dbraw/zinc/31/38/49/386313849.db2.gz QCVAMGWYPMNNTK-QWHCGFSZSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000276379558 386313858 /nfs/dbraw/zinc/31/38/58/386313858.db2.gz QCVAMGWYPMNNTK-QWHCGFSZSA-N 1 2 236.290 1.974 20 0 BDADLO CCc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000276407628 386316891 /nfs/dbraw/zinc/31/68/91/386316891.db2.gz VJDLTJDLVJJVOT-UHFFFAOYSA-N 1 2 218.300 1.181 20 0 BDADLO CCc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000276407628 386316895 /nfs/dbraw/zinc/31/68/95/386316895.db2.gz VJDLTJDLVJJVOT-UHFFFAOYSA-N 1 2 218.300 1.181 20 0 BDADLO C[N@H+](CC(=O)N1CCC1)Cc1ccccc1F ZINC000298268415 386317221 /nfs/dbraw/zinc/31/72/21/386317221.db2.gz CPOCAQGSZFMEFJ-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO C[N@@H+](CC(=O)N1CCC1)Cc1ccccc1F ZINC000298268415 386317225 /nfs/dbraw/zinc/31/72/25/386317225.db2.gz CPOCAQGSZFMEFJ-UHFFFAOYSA-N 1 2 236.290 1.490 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000289509740 386320065 /nfs/dbraw/zinc/32/00/65/386320065.db2.gz UOWULKZARJJLHH-AWEZNQCLSA-N 1 2 245.326 1.931 20 0 BDADLO Cc1nnc(C[NH2+]C(C)(C)c2c(C)noc2C)[nH]1 ZINC000298295205 386320147 /nfs/dbraw/zinc/32/01/47/386320147.db2.gz PFVGSKCJTOTRDA-UHFFFAOYSA-N 1 2 249.318 1.743 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnns2)CC[C@H]1C ZINC000336675022 386321424 /nfs/dbraw/zinc/32/14/24/386321424.db2.gz HFRRVCJUYHEWCH-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnns2)CC[C@H]1C ZINC000336675022 386321428 /nfs/dbraw/zinc/32/14/28/386321428.db2.gz HFRRVCJUYHEWCH-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO FC(F)(F)Cn1cc[nH+]c1Cn1cccn1 ZINC000336675239 386322858 /nfs/dbraw/zinc/32/28/58/386322858.db2.gz MHDKEIWNISNIAH-UHFFFAOYSA-N 1 2 230.193 1.690 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1nncs1 ZINC000297494804 386262165 /nfs/dbraw/zinc/26/21/65/386262165.db2.gz MRSOUSXCRKWFOW-UHFFFAOYSA-N 1 2 223.305 1.261 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@H]1O ZINC000340576066 386265963 /nfs/dbraw/zinc/26/59/63/386265963.db2.gz XIAFQIYYJMFVMH-WDEREUQCSA-N 1 2 235.331 1.807 20 0 BDADLO c1coc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)c1 ZINC000264734097 386266234 /nfs/dbraw/zinc/26/62/34/386266234.db2.gz RVAFIIOBXHCOTM-UHFFFAOYSA-N 1 2 246.314 1.321 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccc(C)o2)C1 ZINC000297636846 386269550 /nfs/dbraw/zinc/26/95/50/386269550.db2.gz MIKOBGZTFZIWKL-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000264817661 386273310 /nfs/dbraw/zinc/27/33/10/386273310.db2.gz QCQBLEZXVLHZPI-WCBMZHEXSA-N 1 2 249.318 1.182 20 0 BDADLO O=C([C@H]1CC12CC2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000643333760 386274708 /nfs/dbraw/zinc/27/47/08/386274708.db2.gz QUWDHDCIVMQIKQ-GFCCVEGCSA-N 1 2 244.294 1.471 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000289230986 386275593 /nfs/dbraw/zinc/27/55/93/386275593.db2.gz OKROCBLNVFPQDR-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000416319613 386278048 /nfs/dbraw/zinc/27/80/48/386278048.db2.gz IBXKCAKHODZYQQ-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000416322112 386278246 /nfs/dbraw/zinc/27/82/46/386278246.db2.gz MGJREEAEEQYSGC-UTUOFQBUSA-N 1 2 249.358 1.856 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000336644638 386279881 /nfs/dbraw/zinc/27/98/81/386279881.db2.gz CLAFNMLBZQFLLB-SECBINFHSA-N 1 2 227.308 1.660 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000336644638 386279885 /nfs/dbraw/zinc/27/98/85/386279885.db2.gz CLAFNMLBZQFLLB-SECBINFHSA-N 1 2 227.308 1.660 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2CC=CCC2)nc[nH+]1 ZINC000298433809 386343724 /nfs/dbraw/zinc/34/37/24/386343724.db2.gz XENHYNOIZMGRDR-GHMZBOCLSA-N 1 2 248.330 1.790 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2CC=CCC2)[nH+]cn1 ZINC000298433809 386343731 /nfs/dbraw/zinc/34/37/31/386343731.db2.gz XENHYNOIZMGRDR-GHMZBOCLSA-N 1 2 248.330 1.790 20 0 BDADLO C[C@]1(F)CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000347350992 386346087 /nfs/dbraw/zinc/34/60/87/386346087.db2.gz JSWKYZYQTBRYFS-LBPRGKRZSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000347350992 386346091 /nfs/dbraw/zinc/34/60/91/386346091.db2.gz JSWKYZYQTBRYFS-LBPRGKRZSA-N 1 2 228.311 1.337 20 0 BDADLO CO[C@H](C)C[N@H+](Cc1ncnn1C)C(C)C ZINC000336686568 386348137 /nfs/dbraw/zinc/34/81/37/386348137.db2.gz WQWFZHBHIXALOW-SNVBAGLBSA-N 1 2 226.324 1.060 20 0 BDADLO CO[C@H](C)C[N@@H+](Cc1ncnn1C)C(C)C ZINC000336686568 386348139 /nfs/dbraw/zinc/34/81/39/386348139.db2.gz WQWFZHBHIXALOW-SNVBAGLBSA-N 1 2 226.324 1.060 20 0 BDADLO CC(C)[C@H](NC(=O)[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000276583205 386348606 /nfs/dbraw/zinc/34/86/06/386348606.db2.gz JORPFGIQUKIYNW-ZJUUUORDSA-N 1 2 237.303 1.402 20 0 BDADLO C[NH+](C)CC(=O)Nc1cccc(Cl)c1O ZINC000265599252 386349936 /nfs/dbraw/zinc/34/99/36/386349936.db2.gz LPSSSVAUZGOSPQ-UHFFFAOYSA-N 1 2 228.679 1.546 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1ccoc1 ZINC000276639314 386357718 /nfs/dbraw/zinc/35/77/18/386357718.db2.gz UUGBGNJVYATQAH-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO CCONC(=O)NCc1cn2ccccc2[nH+]1 ZINC000298567077 386359793 /nfs/dbraw/zinc/35/97/93/386359793.db2.gz AVZXJDHTRZBIAX-UHFFFAOYSA-N 1 2 234.259 1.085 20 0 BDADLO CC(C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276668092 386361451 /nfs/dbraw/zinc/36/14/51/386361451.db2.gz UMFGPHPJAODHHU-VIFPVBQESA-N 1 2 209.293 1.879 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)nc1 ZINC000336691657 386363068 /nfs/dbraw/zinc/36/30/68/386363068.db2.gz HDHAKHZOWXOPGZ-LLVKDONJSA-N 1 2 235.331 1.378 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)nc1 ZINC000336691657 386363075 /nfs/dbraw/zinc/36/30/75/386363075.db2.gz HDHAKHZOWXOPGZ-LLVKDONJSA-N 1 2 235.331 1.378 20 0 BDADLO Cc1cn2cc(NC(=O)NC[C@@H](C)O)ccc2[nH+]1 ZINC000265703373 386363475 /nfs/dbraw/zinc/36/34/75/386363475.db2.gz JBBAOESDTVLESC-SECBINFHSA-N 1 2 248.286 1.145 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000276686576 386364549 /nfs/dbraw/zinc/36/45/49/386364549.db2.gz PNGHCSHYZFGZPD-ZJELKQJVSA-N 1 2 205.261 1.338 20 0 BDADLO CCc1ccc(C[NH2+][C@H](C)c2ncnn2C)o1 ZINC000276719474 386367908 /nfs/dbraw/zinc/36/79/08/386367908.db2.gz POMKSYYDPPSSFK-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347372803 386371394 /nfs/dbraw/zinc/37/13/94/386371394.db2.gz KIELIBPFECPLKG-PWSUYJOCSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347372803 386371398 /nfs/dbraw/zinc/37/13/98/386371398.db2.gz KIELIBPFECPLKG-PWSUYJOCSA-N 1 2 230.327 1.581 20 0 BDADLO CCc1noc([C@H](C)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000647933641 386371919 /nfs/dbraw/zinc/37/19/19/386371919.db2.gz WQLVUPWXKQTZFI-QMMMGPOBSA-N 1 2 247.302 1.474 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)n(C)n1 ZINC000334495065 386374110 /nfs/dbraw/zinc/37/41/10/386374110.db2.gz GNYSLHLRKIWEMW-NXEZZACHSA-N 1 2 236.319 1.150 20 0 BDADLO CC(C)=CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265826579 386376634 /nfs/dbraw/zinc/37/66/34/386376634.db2.gz PGOHSFFXPXLQBY-NSHDSACASA-N 1 2 221.304 1.602 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1cncc(F)c1 ZINC000276797190 386378450 /nfs/dbraw/zinc/37/84/50/386378450.db2.gz LTYONVBNARXGOO-SECBINFHSA-N 1 2 247.277 1.389 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1cncc(F)c1 ZINC000276797190 386378461 /nfs/dbraw/zinc/37/84/61/386378461.db2.gz LTYONVBNARXGOO-SECBINFHSA-N 1 2 247.277 1.389 20 0 BDADLO COC(=O)C[N@H+](Cc1ccnc(N)c1)C(C)C ZINC000298758835 386381610 /nfs/dbraw/zinc/38/16/10/386381610.db2.gz XAHYWQZODVNLIQ-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccnc(N)c1)C(C)C ZINC000298758835 386381615 /nfs/dbraw/zinc/38/16/15/386381615.db2.gz XAHYWQZODVNLIQ-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BDADLO CN(C)c1ccc(CNC(=O)CCC2CC2)c[nH+]1 ZINC000265287996 386326646 /nfs/dbraw/zinc/32/66/46/386326646.db2.gz ZDWKKTHAYZWXHK-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347330175 386327103 /nfs/dbraw/zinc/32/71/03/386327103.db2.gz FFSYFJQPGVEQCK-ZJUUUORDSA-N 1 2 207.264 1.531 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347330175 386327109 /nfs/dbraw/zinc/32/71/09/386327109.db2.gz FFSYFJQPGVEQCK-ZJUUUORDSA-N 1 2 207.264 1.531 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(O)c2)[nH]1 ZINC000292708492 386329949 /nfs/dbraw/zinc/32/99/49/386329949.db2.gz FCGYNPZGGIXTSU-QMMMGPOBSA-N 1 2 232.287 1.670 20 0 BDADLO C[C@@]1([NH2+]C[C@@H](O)c2ccccc2)CCOC1=O ZINC000289636100 386335865 /nfs/dbraw/zinc/33/58/65/386335865.db2.gz SCVZNYMWUUQLAX-DGCLKSJQSA-N 1 2 235.283 1.015 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347342585 386338785 /nfs/dbraw/zinc/33/87/85/386338785.db2.gz FEPALECXDBPTPZ-GFCCVEGCSA-N 1 2 230.327 1.725 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347342585 386338790 /nfs/dbraw/zinc/33/87/90/386338790.db2.gz FEPALECXDBPTPZ-GFCCVEGCSA-N 1 2 230.327 1.725 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000336712283 386437064 /nfs/dbraw/zinc/43/70/64/386437064.db2.gz RRMMOIVYXBUJNU-WCBMZHEXSA-N 1 2 237.303 1.729 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000336712283 386437072 /nfs/dbraw/zinc/43/70/72/386437072.db2.gz RRMMOIVYXBUJNU-WCBMZHEXSA-N 1 2 237.303 1.729 20 0 BDADLO C[C@H](CO)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277500365 386442617 /nfs/dbraw/zinc/44/26/17/386442617.db2.gz REIIYNPVBOYRIJ-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO C[C@H](CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277500365 386442620 /nfs/dbraw/zinc/44/26/20/386442620.db2.gz REIIYNPVBOYRIJ-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCS1 ZINC000266512347 386447665 /nfs/dbraw/zinc/44/76/65/386447665.db2.gz HMIZVBWYQHPRRM-SECBINFHSA-N 1 2 239.344 1.274 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000237553037 386389482 /nfs/dbraw/zinc/38/94/82/386389482.db2.gz CYFUCNIXELDVBA-CQSZACIVSA-N 1 2 245.326 1.411 20 0 BDADLO Cn1c[nH+]cc1CSC[C@@H]1CCCO1 ZINC000276907499 386389817 /nfs/dbraw/zinc/38/98/17/386389817.db2.gz MTJWZTGGYHIBFW-JTQLQIEISA-N 1 2 212.318 1.832 20 0 BDADLO CCC[C@](C)([NH2+]CCc1cn[nH]c1)C(=O)OC ZINC000290063067 386390763 /nfs/dbraw/zinc/39/07/63/386390763.db2.gz PMKQHUUSAYSUON-LBPRGKRZSA-N 1 2 239.319 1.274 20 0 BDADLO CC/C=C/CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298904991 386398142 /nfs/dbraw/zinc/39/81/42/386398142.db2.gz OBHUHAMNVCJHEB-YEZKRMTDSA-N 1 2 236.319 1.647 20 0 BDADLO CC/C=C/CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298904991 386398147 /nfs/dbraw/zinc/39/81/47/386398147.db2.gz OBHUHAMNVCJHEB-YEZKRMTDSA-N 1 2 236.319 1.647 20 0 BDADLO CO[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266104896 386398294 /nfs/dbraw/zinc/39/82/94/386398294.db2.gz OKRNCLUEZFSDIB-MRVPVSSYSA-N 1 2 219.244 1.308 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000290164290 386401887 /nfs/dbraw/zinc/40/18/87/386401887.db2.gz XVWWVSQUHJSGSZ-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000290164290 386401890 /nfs/dbraw/zinc/40/18/90/386401890.db2.gz XVWWVSQUHJSGSZ-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1ccn2cc(CNC(=O)C(C)C)[nH+]c2c1 ZINC000048750321 386410246 /nfs/dbraw/zinc/41/02/46/386410246.db2.gz FQTWXCDYNMWHJS-UHFFFAOYSA-N 1 2 231.299 1.915 20 0 BDADLO CC(C)CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334498718 386419847 /nfs/dbraw/zinc/41/98/47/386419847.db2.gz NPBAJEMMSIAOGA-NXEZZACHSA-N 1 2 236.319 1.844 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000339433927 386426049 /nfs/dbraw/zinc/42/60/49/386426049.db2.gz SSYGRODMXVBKPH-WDEREUQCSA-N 1 2 233.315 1.425 20 0 BDADLO c1ccc(NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000277384819 386431148 /nfs/dbraw/zinc/43/11/48/386431148.db2.gz IRCAWPPETFRNLG-UHFFFAOYSA-N 1 2 233.315 1.358 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2CC[C@@H](C)O)o1 ZINC000336712051 386436042 /nfs/dbraw/zinc/43/60/42/386436042.db2.gz NHQFYQVZXGKBDH-ZYHUDNBSSA-N 1 2 239.315 1.732 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2CC[C@@H](C)O)o1 ZINC000336712051 386436044 /nfs/dbraw/zinc/43/60/44/386436044.db2.gz NHQFYQVZXGKBDH-ZYHUDNBSSA-N 1 2 239.315 1.732 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1ccsc1 ZINC000299570311 386466683 /nfs/dbraw/zinc/46/66/83/386466683.db2.gz HNSWKASXYQPGAM-UHFFFAOYSA-N 1 2 249.339 1.694 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000290680680 386466647 /nfs/dbraw/zinc/46/66/47/386466647.db2.gz LXXPAAJJPQBLMP-JTQLQIEISA-N 1 2 248.334 1.223 20 0 BDADLO CO[C@@H](C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290689382 386468478 /nfs/dbraw/zinc/46/84/78/386468478.db2.gz MNCQYMOKCKADNW-VIFPVBQESA-N 1 2 248.286 1.491 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC(C)(O)C2)o1 ZINC000639254399 386469572 /nfs/dbraw/zinc/46/95/72/386469572.db2.gz RSQHQUAYSGQTAO-MWLCHTKSSA-N 1 2 221.300 1.970 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000266840984 386472633 /nfs/dbraw/zinc/47/26/33/386472633.db2.gz OGEFBCNKCSXGAU-NDBYEHHHSA-N 1 2 247.342 1.824 20 0 BDADLO CC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000299625043 386474455 /nfs/dbraw/zinc/47/44/55/386474455.db2.gz FPDUAZJHLRVKCI-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339560524 386475649 /nfs/dbraw/zinc/47/56/49/386475649.db2.gz CIMKFYVURWZAIG-IWSPIJDZSA-N 1 2 225.292 1.617 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339560524 386475652 /nfs/dbraw/zinc/47/56/52/386475652.db2.gz CIMKFYVURWZAIG-IWSPIJDZSA-N 1 2 225.292 1.617 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339564369 386476847 /nfs/dbraw/zinc/47/68/47/386476847.db2.gz UVGHRUDAQCXMLA-VGMNWLOBSA-N 1 2 225.292 1.617 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339564369 386476853 /nfs/dbraw/zinc/47/68/53/386476853.db2.gz UVGHRUDAQCXMLA-VGMNWLOBSA-N 1 2 225.292 1.617 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339564545 386477823 /nfs/dbraw/zinc/47/78/23/386477823.db2.gz QJNVPXUGPVHDBZ-RKDXNWHRSA-N 1 2 209.293 1.862 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339564545 386477833 /nfs/dbraw/zinc/47/78/33/386477833.db2.gz QJNVPXUGPVHDBZ-RKDXNWHRSA-N 1 2 209.293 1.862 20 0 BDADLO Cc1ccoc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290850575 386479985 /nfs/dbraw/zinc/47/99/85/386479985.db2.gz AKJRVTNGKWSSCU-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO CC1(C)C[N@H+](CCO)C[C@H](C(F)(F)F)O1 ZINC000335430461 386486899 /nfs/dbraw/zinc/48/68/99/386486899.db2.gz JYJFTHDWJHZPNK-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO CC1(C)C[N@@H+](CCO)C[C@H](C(F)(F)F)O1 ZINC000335430461 386486904 /nfs/dbraw/zinc/48/69/04/386486904.db2.gz JYJFTHDWJHZPNK-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO O=C(C1CCC1)N1CCn2c[nH+]cc2C1 ZINC000290904832 386487303 /nfs/dbraw/zinc/48/73/03/386487303.db2.gz HXZZLHDSAQNJDQ-UHFFFAOYSA-N 1 2 205.261 1.025 20 0 BDADLO COc1ncncc1C[NH+]1CC2(CC(F)C2)C1 ZINC000648042772 386487504 /nfs/dbraw/zinc/48/75/04/386487504.db2.gz SOOIIFMABPXOGB-UHFFFAOYSA-N 1 2 237.278 1.419 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000339585135 386488955 /nfs/dbraw/zinc/48/89/55/386488955.db2.gz UKQZLEOFNYFOPH-WDEREUQCSA-N 1 2 221.304 1.567 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000339585135 386488960 /nfs/dbraw/zinc/48/89/60/386488960.db2.gz UKQZLEOFNYFOPH-WDEREUQCSA-N 1 2 221.304 1.567 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)no1 ZINC000335432192 386489404 /nfs/dbraw/zinc/48/94/04/386489404.db2.gz DCGSHYVJGVIHNP-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2C2CCC2)no1 ZINC000335432192 386489410 /nfs/dbraw/zinc/48/94/10/386489410.db2.gz DCGSHYVJGVIHNP-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1ccncc1CCC[NH2+][C@@]1(C)CCOC1=O ZINC000290929710 386489548 /nfs/dbraw/zinc/48/95/48/386489548.db2.gz OVCPXCNJFQCVNJ-AWEZNQCLSA-N 1 2 248.326 1.618 20 0 BDADLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C(F)(F)F ZINC000356431096 386529369 /nfs/dbraw/zinc/52/93/69/386529369.db2.gz GMNMIFLQVLNWFV-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO CC(C)[C@H]1OCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000278197083 386500297 /nfs/dbraw/zinc/50/02/97/386500297.db2.gz UEEKZLZQHAKDKT-MWLCHTKSSA-N 1 2 237.303 1.087 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)c1cccnc1 ZINC000267151184 386501316 /nfs/dbraw/zinc/50/13/16/386501316.db2.gz DWURBUNKAJBKQD-SECBINFHSA-N 1 2 244.298 1.533 20 0 BDADLO O=C1CCN(CNc2cc(C3CC3)cc[nH+]2)CC1 ZINC000291046001 386505341 /nfs/dbraw/zinc/50/53/41/386505341.db2.gz ZOAVDFOKBMXTIA-UHFFFAOYSA-N 1 2 245.326 1.993 20 0 BDADLO Nc1cccc(CN2CCn3cc[nH+]c3C2)c1 ZINC000062245423 386506686 /nfs/dbraw/zinc/50/66/86/386506686.db2.gz YRCUDZARMXJKCD-UHFFFAOYSA-N 1 2 228.299 1.481 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC(=O)N1 ZINC000519625011 386508020 /nfs/dbraw/zinc/50/80/20/386508020.db2.gz RKHQPNFDSGNTPH-OTDNITJGSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC(=O)N1 ZINC000519625011 386508025 /nfs/dbraw/zinc/50/80/25/386508025.db2.gz RKHQPNFDSGNTPH-OTDNITJGSA-N 1 2 248.301 1.659 20 0 BDADLO O=C(NCCCF)Nc1ccn2cc[nH+]c2c1 ZINC000519622596 386508576 /nfs/dbraw/zinc/50/85/76/386508576.db2.gz RSMZOBSIUWQTOX-UHFFFAOYSA-N 1 2 236.250 1.815 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)no1 ZINC000335446774 386512215 /nfs/dbraw/zinc/51/22/15/386512215.db2.gz LCDFDTMPAQRSQH-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)no1 ZINC000335446774 386512222 /nfs/dbraw/zinc/51/22/22/386512222.db2.gz LCDFDTMPAQRSQH-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nsc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC000336754746 386523489 /nfs/dbraw/zinc/52/34/89/386523489.db2.gz XEEOYSRHNGXZQT-XCBNKYQSSA-N 1 2 238.360 1.163 20 0 BDADLO Cc1nsc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000336754746 386523495 /nfs/dbraw/zinc/52/34/95/386523495.db2.gz XEEOYSRHNGXZQT-XCBNKYQSSA-N 1 2 238.360 1.163 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccnc(C)n1)CC2 ZINC000366467418 386526315 /nfs/dbraw/zinc/52/63/15/386526315.db2.gz SDMVQONMOFIFHW-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC=CCC1 ZINC000277614126 386453887 /nfs/dbraw/zinc/45/38/87/386453887.db2.gz HYVRQOJBVDLFCT-LLVKDONJSA-N 1 2 233.315 1.578 20 0 BDADLO CCCc1nc(C[NH2+][C@H](C)[C@H]2CCCO2)no1 ZINC000183153834 386453942 /nfs/dbraw/zinc/45/39/42/386453942.db2.gz MKXKEKRSYSYDMR-NXEZZACHSA-N 1 2 239.319 1.679 20 0 BDADLO CCN(CCO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290569540 386454124 /nfs/dbraw/zinc/45/41/24/386454124.db2.gz FDOOGTIFOGOCFG-UHFFFAOYSA-N 1 2 248.286 1.180 20 0 BDADLO CSCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299477935 386455591 /nfs/dbraw/zinc/45/55/91/386455591.db2.gz BZCQXJMWJFKEMG-UHFFFAOYSA-N 1 2 239.344 1.479 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277777352 386464876 /nfs/dbraw/zinc/46/48/76/386464876.db2.gz WMECHQFTRFODCK-FVMDXXJSSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277777352 386464882 /nfs/dbraw/zinc/46/48/82/386464882.db2.gz WMECHQFTRFODCK-FVMDXXJSSA-N 1 2 241.360 1.061 20 0 BDADLO Cn1c[nH+]cc1CN1CC2CC1(C(F)(F)F)C2 ZINC000335413366 386577890 /nfs/dbraw/zinc/57/78/90/386577890.db2.gz RXDBBOKKRLRYEB-UHFFFAOYSA-N 1 2 245.248 1.947 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1ccccn1 ZINC000278765681 386581144 /nfs/dbraw/zinc/58/11/44/386581144.db2.gz WPFPOQGAWDAJSZ-JTQLQIEISA-N 1 2 244.298 1.533 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)c1ccccn1 ZINC000278765681 386581149 /nfs/dbraw/zinc/58/11/49/386581149.db2.gz WPFPOQGAWDAJSZ-JTQLQIEISA-N 1 2 244.298 1.533 20 0 BDADLO Cc1cnc(SCc2c[nH+]cn2C)nc1 ZINC000267786320 386584354 /nfs/dbraw/zinc/58/43/54/386584354.db2.gz OPCIPUJFOMZWOR-UHFFFAOYSA-N 1 2 220.301 1.811 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)ncn1 ZINC000291923869 386598671 /nfs/dbraw/zinc/59/86/71/386598671.db2.gz ACIRCHNLKTXDMH-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ncn1 ZINC000291923869 386598676 /nfs/dbraw/zinc/59/86/76/386598676.db2.gz ACIRCHNLKTXDMH-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO OCC1(Nc2cc(NC3CC3)[nH+]cn2)CCC1 ZINC000520192167 386596660 /nfs/dbraw/zinc/59/66/60/386596660.db2.gz OAYMTRMSJFODQC-UHFFFAOYSA-N 1 2 234.303 1.378 20 0 BDADLO OCC1(Nc2cc(NC3CC3)nc[nH+]2)CCC1 ZINC000520192167 386596669 /nfs/dbraw/zinc/59/66/69/386596669.db2.gz OAYMTRMSJFODQC-UHFFFAOYSA-N 1 2 234.303 1.378 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291310630 386534420 /nfs/dbraw/zinc/53/44/20/386534420.db2.gz RPPVLQNTZBKORI-NSHDSACASA-N 1 2 231.303 1.064 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291310630 386534424 /nfs/dbraw/zinc/53/44/24/386534424.db2.gz RPPVLQNTZBKORI-NSHDSACASA-N 1 2 231.303 1.064 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000278516501 386540017 /nfs/dbraw/zinc/54/00/17/386540017.db2.gz BZONSHSOMAUMHJ-GXSJLCMTSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000278516501 386540025 /nfs/dbraw/zinc/54/00/25/386540025.db2.gz BZONSHSOMAUMHJ-GXSJLCMTSA-N 1 2 235.331 1.956 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc(F)cc2)C1 ZINC000291413455 386543386 /nfs/dbraw/zinc/54/33/86/386543386.db2.gz GUTCQGDDAGXEGJ-UHFFFAOYSA-N 1 2 222.263 1.146 20 0 BDADLO CCOc1cccc(C[NH+]2CC(NC(C)=O)C2)c1 ZINC000291439511 386544890 /nfs/dbraw/zinc/54/48/90/386544890.db2.gz KIUFBQGUMOLACD-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)[nH]1 ZINC000336906476 386548190 /nfs/dbraw/zinc/54/81/90/386548190.db2.gz XULUTLKEEIBACK-GHMZBOCLSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)[nH]1 ZINC000336906476 386548200 /nfs/dbraw/zinc/54/82/00/386548200.db2.gz XULUTLKEEIBACK-GHMZBOCLSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1CCCC1 ZINC000278565543 386550527 /nfs/dbraw/zinc/55/05/27/386550527.db2.gz IHMBTZVKOKGSLT-UHFFFAOYSA-N 1 2 207.277 1.319 20 0 BDADLO C/C=C(\C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000267601780 386560073 /nfs/dbraw/zinc/56/00/73/386560073.db2.gz QMBRJFQFPUSPRS-WEVVVXLNSA-N 1 2 207.277 1.345 20 0 BDADLO C[C@H](O)CN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000291687554 386568065 /nfs/dbraw/zinc/56/80/65/386568065.db2.gz HRSMGHQVQOIPNR-VIFPVBQESA-N 1 2 248.286 1.179 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000267654510 386568957 /nfs/dbraw/zinc/56/89/57/386568957.db2.gz YNELTWQZLOAPTF-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000267654510 386568961 /nfs/dbraw/zinc/56/89/61/386568961.db2.gz YNELTWQZLOAPTF-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000267654510 386568969 /nfs/dbraw/zinc/56/89/69/386568969.db2.gz YNELTWQZLOAPTF-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)NCc2[nH]c[nH+]c2C)O1 ZINC000268097704 386619298 /nfs/dbraw/zinc/61/92/98/386619298.db2.gz MLJRLUOXGYSLQY-ONGXEEELSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]([NH2+]Cc1cccn1C)c1ncn(C)n1 ZINC000336782009 386623331 /nfs/dbraw/zinc/62/33/31/386623331.db2.gz WKIIINZVTXVPSU-VIFPVBQESA-N 1 2 219.292 1.004 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000292133104 386623957 /nfs/dbraw/zinc/62/39/57/386623957.db2.gz IOHDVMHSFWIJDO-JTQLQIEISA-N 1 2 224.304 1.497 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000292133104 386623962 /nfs/dbraw/zinc/62/39/62/386623962.db2.gz IOHDVMHSFWIJDO-JTQLQIEISA-N 1 2 224.304 1.497 20 0 BDADLO C[C@@H]([NH2+]Cc1cccn1C)c1ncn(C)n1 ZINC000336782008 386624114 /nfs/dbraw/zinc/62/41/14/386624114.db2.gz WKIIINZVTXVPSU-SECBINFHSA-N 1 2 219.292 1.004 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)Cc1ccccc1 ZINC000268144440 386625431 /nfs/dbraw/zinc/62/54/31/386625431.db2.gz IRJXMKDTAYWWCD-INIZCTEOSA-N 1 2 234.324 1.869 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000268172559 386626304 /nfs/dbraw/zinc/62/63/04/386626304.db2.gz YECYXUZYBWZMNY-RYUDHWBXSA-N 1 2 233.315 1.532 20 0 BDADLO C[C@@H](NC(=O)[C@@H]([NH3+])c1cscn1)C(C)(C)C ZINC000520248096 386626686 /nfs/dbraw/zinc/62/66/86/386626686.db2.gz OMVZPIGVQZJIOU-APPZFPTMSA-N 1 2 241.360 1.694 20 0 BDADLO c1cnn([C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000292176858 386627130 /nfs/dbraw/zinc/62/71/30/386627130.db2.gz AORPMDDIBWXGLF-LLVKDONJSA-N 1 2 214.272 1.730 20 0 BDADLO c1cnn([C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000292176868 386627550 /nfs/dbraw/zinc/62/75/50/386627550.db2.gz AORPMDDIBWXGLF-NSHDSACASA-N 1 2 214.272 1.730 20 0 BDADLO Cc1nnc(C[N@@H+]2CCn3cccc3[C@@H]2C)[nH]1 ZINC000292165624 386629257 /nfs/dbraw/zinc/62/92/57/386629257.db2.gz LERCUHZGCLPNBP-VIFPVBQESA-N 1 2 231.303 1.491 20 0 BDADLO Cc1nnc(C[N@H+]2CCn3cccc3[C@@H]2C)[nH]1 ZINC000292165624 386629262 /nfs/dbraw/zinc/62/92/62/386629262.db2.gz LERCUHZGCLPNBP-VIFPVBQESA-N 1 2 231.303 1.491 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H](C)OC ZINC000190744413 386630162 /nfs/dbraw/zinc/63/01/62/386630162.db2.gz JFHLLQHKFWEAAR-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO CO[C@](C)(C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000292191280 386630714 /nfs/dbraw/zinc/63/07/14/386630714.db2.gz QYDPZBMNYXDTIJ-LBPRGKRZSA-N 1 2 237.303 1.149 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CCC23CCC3)n1 ZINC000337177338 386635709 /nfs/dbraw/zinc/63/57/09/386635709.db2.gz JYCUCELZCNASCA-UHFFFAOYSA-N 1 2 222.292 1.264 20 0 BDADLO CN(C)c1noc(C[N@H+]2CCC23CCC3)n1 ZINC000337177338 386635712 /nfs/dbraw/zinc/63/57/12/386635712.db2.gz JYCUCELZCNASCA-UHFFFAOYSA-N 1 2 222.292 1.264 20 0 BDADLO CCCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279126227 386638144 /nfs/dbraw/zinc/63/81/44/386638144.db2.gz DLDGTIYSEGZGSA-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccsc1 ZINC000279175674 386643212 /nfs/dbraw/zinc/64/32/12/386643212.db2.gz JRUYCMJUECUZBS-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC23CC3)c2[nH+]ccn21 ZINC000644961843 386646060 /nfs/dbraw/zinc/64/60/60/386646060.db2.gz RUNTWPUODHRNDN-OPRDCNLKSA-N 1 2 246.314 1.741 20 0 BDADLO Cc1nc(N(C)Cc2nncn2C(C)C)cc[nH+]1 ZINC000292297919 386647077 /nfs/dbraw/zinc/64/70/77/386647077.db2.gz NMCLWQIURRWWAJ-UHFFFAOYSA-N 1 2 246.318 1.594 20 0 BDADLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000292293780 386647740 /nfs/dbraw/zinc/64/77/40/386647740.db2.gz CQVZAAPWIZPGGJ-JTQLQIEISA-N 1 2 236.319 1.449 20 0 BDADLO CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000292293780 386647748 /nfs/dbraw/zinc/64/77/48/386647748.db2.gz CQVZAAPWIZPGGJ-JTQLQIEISA-N 1 2 236.319 1.449 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCc2ccccc21 ZINC000279238818 386652124 /nfs/dbraw/zinc/65/21/24/386652124.db2.gz RHFHKZBXWWMCLB-UHFFFAOYSA-N 1 2 241.294 1.932 20 0 BDADLO Cc1cnn(C)c1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335515746 386653401 /nfs/dbraw/zinc/65/34/01/386653401.db2.gz YMORFXRZJCXWDT-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1nnc(NC(=O)CCc2[nH]cc[nH+]2)s1 ZINC000279241309 386654215 /nfs/dbraw/zinc/65/42/15/386654215.db2.gz RRSOVRDGVWLABF-UHFFFAOYSA-N 1 2 237.288 1.141 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]nn1)C1CCCCC1 ZINC000336758959 386654311 /nfs/dbraw/zinc/65/43/11/386654311.db2.gz LBAPYKALJXWBPT-VIFPVBQESA-N 1 2 208.309 1.863 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]n1)C1CCCCC1 ZINC000336758959 386654315 /nfs/dbraw/zinc/65/43/15/386654315.db2.gz LBAPYKALJXWBPT-VIFPVBQESA-N 1 2 208.309 1.863 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC000520217432 386602862 /nfs/dbraw/zinc/60/28/62/386602862.db2.gz GYELZNCYLJXYJQ-MWLCHTKSSA-N 1 2 239.319 1.708 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000278948402 386607755 /nfs/dbraw/zinc/60/77/55/386607755.db2.gz VKQZFZPEQZMBOA-PHIMTYICSA-N 1 2 233.315 1.519 20 0 BDADLO CC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000268022333 386611300 /nfs/dbraw/zinc/61/13/00/386611300.db2.gz WYSHRYUTTJQUFT-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335493038 386611917 /nfs/dbraw/zinc/61/19/17/386611917.db2.gz CIKDNFIZMKMBQD-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@@H]1O ZINC000335493038 386611922 /nfs/dbraw/zinc/61/19/22/386611922.db2.gz CIKDNFIZMKMBQD-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO CCCCc1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000106883444 386655353 /nfs/dbraw/zinc/65/53/53/386655353.db2.gz AYEPKNMMRAWJFV-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCCc1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000106883444 386655360 /nfs/dbraw/zinc/65/53/60/386655360.db2.gz AYEPKNMMRAWJFV-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@H](O)C1 ZINC000337130858 386617289 /nfs/dbraw/zinc/61/72/89/386617289.db2.gz JKKMKUZRAUVFSE-VHSXEESVSA-N 1 2 241.312 1.029 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@H](O)C1 ZINC000337130858 386617294 /nfs/dbraw/zinc/61/72/94/386617294.db2.gz JKKMKUZRAUVFSE-VHSXEESVSA-N 1 2 241.312 1.029 20 0 BDADLO Cc1nc(N2CC(C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000343248818 386659566 /nfs/dbraw/zinc/65/95/66/386659566.db2.gz JNPSRIUKWXPJSY-UHFFFAOYSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(C3CCC3)C2)[nH+]1 ZINC000343248818 386659571 /nfs/dbraw/zinc/65/95/71/386659571.db2.gz JNPSRIUKWXPJSY-UHFFFAOYSA-N 1 2 247.346 1.482 20 0 BDADLO CC[C@H](C)C[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000645356416 386660168 /nfs/dbraw/zinc/66/01/68/386660168.db2.gz XLFJHYJWVWRIOZ-CMPLNLGQSA-N 1 2 249.358 1.985 20 0 BDADLO CCSCC[N@@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000336648295 386682185 /nfs/dbraw/zinc/68/21/85/386682185.db2.gz FYQXYNSDUXJHNX-ZANVPECISA-N 1 2 221.391 1.192 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCOC2)c(C)c[nH+]1 ZINC000645003266 386663969 /nfs/dbraw/zinc/66/39/69/386663969.db2.gz XUOMURXFUACCBP-SNVBAGLBSA-N 1 2 235.287 1.031 20 0 BDADLO CCSCC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000336648295 386682189 /nfs/dbraw/zinc/68/21/89/386682189.db2.gz FYQXYNSDUXJHNX-ZANVPECISA-N 1 2 221.391 1.192 20 0 BDADLO COCCc1noc(C[NH+]2CCCCC2)n1 ZINC000330363524 386675162 /nfs/dbraw/zinc/67/51/62/386675162.db2.gz IXWVRSSMRBBXIA-UHFFFAOYSA-N 1 2 225.292 1.244 20 0 BDADLO COCCc1noc(C[N@H+]2CC=C(C)CC2)n1 ZINC000330364354 386677077 /nfs/dbraw/zinc/67/70/77/386677077.db2.gz LBHRKPUMZFTEPM-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO COCCc1noc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000330364354 386677084 /nfs/dbraw/zinc/67/70/84/386677084.db2.gz LBHRKPUMZFTEPM-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CCn1cccn1 ZINC000279387586 386677817 /nfs/dbraw/zinc/67/78/17/386677817.db2.gz HUEYUBZKCWHICN-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CCn1cccn1 ZINC000279387586 386677824 /nfs/dbraw/zinc/67/78/24/386677824.db2.gz HUEYUBZKCWHICN-UHFFFAOYSA-N 1 2 248.334 1.017 20 0 BDADLO Cn1ccc(C[NH+]2CC(C)(CC(F)F)C2)n1 ZINC000648058664 386679201 /nfs/dbraw/zinc/67/92/01/386679201.db2.gz XIGZGWWPYABLBU-UHFFFAOYSA-N 1 2 229.274 1.897 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000050115292 386683822 /nfs/dbraw/zinc/68/38/22/386683822.db2.gz AAWGSMYCFRQCCZ-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000050115292 386683825 /nfs/dbraw/zinc/68/38/25/386683825.db2.gz AAWGSMYCFRQCCZ-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H](C)O1 ZINC000292547159 386688000 /nfs/dbraw/zinc/68/80/00/386688000.db2.gz QLSMIBNCUXJYLF-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H](C)O1 ZINC000292547159 386688009 /nfs/dbraw/zinc/68/80/09/386688009.db2.gz QLSMIBNCUXJYLF-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccc(F)cn1 ZINC000182512034 386689697 /nfs/dbraw/zinc/68/96/97/386689697.db2.gz LUOJUAUQOUDXCF-UHFFFAOYSA-N 1 2 247.229 1.877 20 0 BDADLO COC[C@@H]1CCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000292603261 386695050 /nfs/dbraw/zinc/69/50/50/386695050.db2.gz DVHQOJSQKQNMTP-NSHDSACASA-N 1 2 249.314 1.951 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]CC1=CCCOC1 ZINC000414483322 386696194 /nfs/dbraw/zinc/69/61/94/386696194.db2.gz FDVWHSVMMLOLKH-GFCCVEGCSA-N 1 2 239.315 1.264 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000352846433 386712010 /nfs/dbraw/zinc/71/20/10/386712010.db2.gz PLIIJPKNLGQYSF-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccccn1 ZINC000268831563 386701035 /nfs/dbraw/zinc/70/10/35/386701035.db2.gz KPKBIENGIYLUMJ-LBPRGKRZSA-N 1 2 228.299 1.972 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccccn1 ZINC000268831563 386701042 /nfs/dbraw/zinc/70/10/42/386701042.db2.gz KPKBIENGIYLUMJ-LBPRGKRZSA-N 1 2 228.299 1.972 20 0 BDADLO CCC[N@H+](C)Cc1nnnn1CC(F)(F)F ZINC000190845789 386703247 /nfs/dbraw/zinc/70/32/47/386703247.db2.gz TZCQXEQRUPDVHK-UHFFFAOYSA-N 1 2 237.229 1.077 20 0 BDADLO CCC[N@@H+](C)Cc1nnnn1CC(F)(F)F ZINC000190845789 386703254 /nfs/dbraw/zinc/70/32/54/386703254.db2.gz TZCQXEQRUPDVHK-UHFFFAOYSA-N 1 2 237.229 1.077 20 0 BDADLO CC(C)Cn1cc(C[NH2+]Cc2ccno2)cn1 ZINC000520583577 386704577 /nfs/dbraw/zinc/70/45/77/386704577.db2.gz WWDQHWPBHWQYQD-UHFFFAOYSA-N 1 2 234.303 1.817 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645120704 386734341 /nfs/dbraw/zinc/73/43/41/386734341.db2.gz JNBSEOYPPDJDBM-IJLUTSLNSA-N 1 2 248.330 1.371 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccn(C)c1 ZINC000414490254 386713162 /nfs/dbraw/zinc/71/31/62/386713162.db2.gz OETSZRHLMFDWLC-GFCCVEGCSA-N 1 2 236.315 1.456 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000526970451 386713305 /nfs/dbraw/zinc/71/33/05/386713305.db2.gz PVYAINHEISJTCO-SECBINFHSA-N 1 2 224.283 1.454 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1CC1(F)CC1 ZINC000526970451 386713306 /nfs/dbraw/zinc/71/33/06/386713306.db2.gz PVYAINHEISJTCO-SECBINFHSA-N 1 2 224.283 1.454 20 0 BDADLO CCC[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000526971555 386713985 /nfs/dbraw/zinc/71/39/85/386713985.db2.gz NUEILLCAGRXGPK-JTQLQIEISA-N 1 2 201.285 1.989 20 0 BDADLO CCC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000526971555 386713993 /nfs/dbraw/zinc/71/39/93/386713993.db2.gz NUEILLCAGRXGPK-JTQLQIEISA-N 1 2 201.285 1.989 20 0 BDADLO CCCCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000367254117 386716776 /nfs/dbraw/zinc/71/67/76/386716776.db2.gz GGRBLLYPYWOEJX-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000367254117 386716782 /nfs/dbraw/zinc/71/67/82/386716782.db2.gz GGRBLLYPYWOEJX-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000279679802 386719178 /nfs/dbraw/zinc/71/91/78/386719178.db2.gz PSTRQRNRWSFCOW-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000279679802 386719186 /nfs/dbraw/zinc/71/91/86/386719186.db2.gz PSTRQRNRWSFCOW-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357117352 386721015 /nfs/dbraw/zinc/72/10/15/386721015.db2.gz OGGWPSRGYJDTGI-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000292750712 386721643 /nfs/dbraw/zinc/72/16/43/386721643.db2.gz BFLRHXPIISKFFN-NSHDSACASA-N 1 2 236.271 1.789 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334150599 386748356 /nfs/dbraw/zinc/74/83/56/386748356.db2.gz MLOYHYWERZMOKV-MRVPVSSYSA-N 1 2 219.288 1.183 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000334150599 386748364 /nfs/dbraw/zinc/74/83/64/386748364.db2.gz MLOYHYWERZMOKV-MRVPVSSYSA-N 1 2 219.288 1.183 20 0 BDADLO CCCC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000348526263 386750558 /nfs/dbraw/zinc/75/05/58/386750558.db2.gz SJWCBNHAXVPLBK-UHFFFAOYSA-N 1 2 240.347 1.015 20 0 BDADLO c1nc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c[nH]1 ZINC000334153000 386752097 /nfs/dbraw/zinc/75/20/97/386752097.db2.gz NEIMBGPUCMRMPN-CHWSQXEVSA-N 1 2 247.342 1.943 20 0 BDADLO c1nc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c[nH]1 ZINC000334153000 386752099 /nfs/dbraw/zinc/75/20/99/386752099.db2.gz NEIMBGPUCMRMPN-CHWSQXEVSA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)[nH]1 ZINC000334153000 386752107 /nfs/dbraw/zinc/75/21/07/386752107.db2.gz NEIMBGPUCMRMPN-CHWSQXEVSA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)[nH]1 ZINC000334153000 386752113 /nfs/dbraw/zinc/75/21/13/386752113.db2.gz NEIMBGPUCMRMPN-CHWSQXEVSA-N 1 2 247.342 1.943 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)ncn1 ZINC000293255628 386792905 /nfs/dbraw/zinc/79/29/05/386792905.db2.gz RQJLSNKUYVDSCI-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ncn1 ZINC000293255628 386792909 /nfs/dbraw/zinc/79/29/09/386792909.db2.gz RQJLSNKUYVDSCI-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cc[nH+]c2ccncc12 ZINC000340778100 386772331 /nfs/dbraw/zinc/77/23/31/386772331.db2.gz NKVQBMDDFQWTKR-ZJUUUORDSA-N 1 2 231.299 1.623 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000527075364 386774245 /nfs/dbraw/zinc/77/42/45/386774245.db2.gz KTYBSRKPJKALKI-CYBMUJFWSA-N 1 2 243.314 1.451 20 0 BDADLO CN(CCO)c1cc[nH+]c2ccncc21 ZINC000269308122 386777099 /nfs/dbraw/zinc/77/70/99/386777099.db2.gz XODFUVDOHJENBH-UHFFFAOYSA-N 1 2 203.245 1.058 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000396572417 386780921 /nfs/dbraw/zinc/78/09/21/386780921.db2.gz FNUXNTUJCJQZIO-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccccn2)C1 ZINC000330543551 386784679 /nfs/dbraw/zinc/78/46/79/386784679.db2.gz XLXRIIMXHYIITM-QWRGUYRKSA-N 1 2 235.287 1.206 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccccn2)C1 ZINC000330543551 386784684 /nfs/dbraw/zinc/78/46/84/386784684.db2.gz XLXRIIMXHYIITM-QWRGUYRKSA-N 1 2 235.287 1.206 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1cc(OC)cc[nH+]1 ZINC000280495734 386816941 /nfs/dbraw/zinc/81/69/41/386816941.db2.gz BQQGFQCKGZAHLZ-SECBINFHSA-N 1 2 238.287 1.084 20 0 BDADLO COC(=O)[C@H](C)N(C)Cc1cc(OC)cc[nH+]1 ZINC000280495737 386817154 /nfs/dbraw/zinc/81/71/54/386817154.db2.gz BQQGFQCKGZAHLZ-VIFPVBQESA-N 1 2 238.287 1.084 20 0 BDADLO Cc1nc(C(C)C)ccc1C[N@H+](C)CC(N)=O ZINC000293447996 386818119 /nfs/dbraw/zinc/81/81/19/386818119.db2.gz KKMJOBVPDLUCOK-UHFFFAOYSA-N 1 2 235.331 1.431 20 0 BDADLO Cc1nc(C(C)C)ccc1C[N@@H+](C)CC(N)=O ZINC000293447996 386818122 /nfs/dbraw/zinc/81/81/22/386818122.db2.gz KKMJOBVPDLUCOK-UHFFFAOYSA-N 1 2 235.331 1.431 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000357652547 386818319 /nfs/dbraw/zinc/81/83/19/386818319.db2.gz INKGRDDGBSCHCN-RKDXNWHRSA-N 1 2 220.272 1.440 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1csc(C)n1 ZINC000293451746 386819164 /nfs/dbraw/zinc/81/91/64/386819164.db2.gz COHPAOCNWVYBGO-JTQLQIEISA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1csc(C)n1 ZINC000293451746 386819168 /nfs/dbraw/zinc/81/91/68/386819168.db2.gz COHPAOCNWVYBGO-JTQLQIEISA-N 1 2 212.318 1.672 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCO[C@H]1C1CC1 ZINC000366586399 386824761 /nfs/dbraw/zinc/82/47/61/386824761.db2.gz YOCLFPBTSBAGHX-AAEUAGOBSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCO[C@H]1C1CC1 ZINC000366586399 386824768 /nfs/dbraw/zinc/82/47/68/386824768.db2.gz YOCLFPBTSBAGHX-AAEUAGOBSA-N 1 2 249.314 1.026 20 0 BDADLO CCN(CC1CCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000357667654 386822247 /nfs/dbraw/zinc/82/22/47/386822247.db2.gz FMDKNKUVHMBSED-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO COC[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000280281830 386797990 /nfs/dbraw/zinc/79/79/90/386797990.db2.gz PUAHUBSJKYJEEW-VIFPVBQESA-N 1 2 233.271 1.049 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000330591537 386801539 /nfs/dbraw/zinc/80/15/39/386801539.db2.gz ZASJCTQTPRZAPX-JTQLQIEISA-N 1 2 249.318 1.042 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000330591537 386801543 /nfs/dbraw/zinc/80/15/43/386801543.db2.gz ZASJCTQTPRZAPX-JTQLQIEISA-N 1 2 249.318 1.042 20 0 BDADLO Cc1noc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000344863872 386805696 /nfs/dbraw/zinc/80/56/96/386805696.db2.gz JVCRGKZOODPZJZ-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1noc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000344863872 386805702 /nfs/dbraw/zinc/80/57/02/386805702.db2.gz JVCRGKZOODPZJZ-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc(C2([NH2+]C[C@H](C)O)CCCC2)no1 ZINC000192993450 386808852 /nfs/dbraw/zinc/80/88/52/386808852.db2.gz XQSZILZRNOMDMN-QMMMGPOBSA-N 1 2 225.292 1.118 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cn1cc(C)cn1 ZINC000357579388 386809629 /nfs/dbraw/zinc/80/96/29/386809629.db2.gz GHLAOVWYCLLQBE-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO COc1ncncc1C[N@H+](C)Cc1ccoc1 ZINC000648004261 386812890 /nfs/dbraw/zinc/81/28/90/386812890.db2.gz YSTWZSYNDDMZGJ-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ncncc1C[N@@H+](C)Cc1ccoc1 ZINC000648004261 386812894 /nfs/dbraw/zinc/81/28/94/386812894.db2.gz YSTWZSYNDDMZGJ-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330658828 386813581 /nfs/dbraw/zinc/81/35/81/386813581.db2.gz SQJSVGGXBMJIEA-VIFPVBQESA-N 1 2 246.376 1.754 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000330658828 386813588 /nfs/dbraw/zinc/81/35/88/386813588.db2.gz SQJSVGGXBMJIEA-VIFPVBQESA-N 1 2 246.376 1.754 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1nnnn1CC(F)(F)F ZINC000190920515 386813930 /nfs/dbraw/zinc/81/39/30/386813930.db2.gz MSCUGOJAVLFKKA-ZETCQYMHSA-N 1 2 249.240 1.220 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000190920515 386813936 /nfs/dbraw/zinc/81/39/36/386813936.db2.gz MSCUGOJAVLFKKA-ZETCQYMHSA-N 1 2 249.240 1.220 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCCO2)nc[nH+]1 ZINC000301233330 386825667 /nfs/dbraw/zinc/82/56/67/386825667.db2.gz KCYTXFZMDAIZMW-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1cc(N(C)Cc2cnn(C)c2)nc[nH+]1 ZINC000301241788 386827485 /nfs/dbraw/zinc/82/74/85/386827485.db2.gz MRUDIZAKVOJMHF-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO CC(C)c1nc(NCCC(=O)N(C)C)cc[nH+]1 ZINC000301260771 386827580 /nfs/dbraw/zinc/82/75/80/386827580.db2.gz SFWAYNDNDRHFEN-UHFFFAOYSA-N 1 2 236.319 1.490 20 0 BDADLO Cn1c[nH+]cc1CN1CCOCc2ccccc21 ZINC000280641746 386832429 /nfs/dbraw/zinc/83/24/29/386832429.db2.gz ZNHZWDRTVWFIDX-UHFFFAOYSA-N 1 2 243.310 1.957 20 0 BDADLO CCN(C[C@@H](C)O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000341109756 386838852 /nfs/dbraw/zinc/83/88/52/386838852.db2.gz VDZZQLNEPJSDRQ-SNVBAGLBSA-N 1 2 247.298 1.177 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1noc(COC)n1 ZINC000645177402 386841786 /nfs/dbraw/zinc/84/17/86/386841786.db2.gz WPIIOQPRSMOWNF-UHFFFAOYSA-N 1 2 243.307 1.121 20 0 BDADLO COc1ncccc1CCNc1cc(C)[nH+]cn1 ZINC000357807651 386849001 /nfs/dbraw/zinc/84/90/01/386849001.db2.gz AEFJGZCIERTBGX-UHFFFAOYSA-N 1 2 244.298 1.265 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398596436 386849699 /nfs/dbraw/zinc/84/96/99/386849699.db2.gz BYYAKJSLQNCHLM-UTUOFQBUSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398596436 386849704 /nfs/dbraw/zinc/84/97/04/386849704.db2.gz BYYAKJSLQNCHLM-UTUOFQBUSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)oc1C ZINC000334788596 386851384 /nfs/dbraw/zinc/85/13/84/386851384.db2.gz YXJVZKKJVFLYQP-UWVGGRQHSA-N 1 2 224.329 1.981 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H]2CS3)oc1C ZINC000334788596 386851390 /nfs/dbraw/zinc/85/13/90/386851390.db2.gz YXJVZKKJVFLYQP-UWVGGRQHSA-N 1 2 224.329 1.981 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ncoc1C1CC1 ZINC000645525048 386893416 /nfs/dbraw/zinc/89/34/16/386893416.db2.gz KXMKTRHCUIKQJE-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ncoc1C1CC1 ZINC000645525048 386893420 /nfs/dbraw/zinc/89/34/20/386893420.db2.gz KXMKTRHCUIKQJE-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cccnc2)n(C)n1 ZINC000418005617 386855730 /nfs/dbraw/zinc/85/57/30/386855730.db2.gz ZNCVVQHNJIZEAV-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cccnc2)n(C)n1 ZINC000418005617 386855739 /nfs/dbraw/zinc/85/57/39/386855739.db2.gz ZNCVVQHNJIZEAV-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ncn(C)n1 ZINC000425344429 386856802 /nfs/dbraw/zinc/85/68/02/386856802.db2.gz TUVVLYQKKMJYGB-HRDYMLBCSA-N 1 2 226.349 1.360 20 0 BDADLO CC(C)Cn1cc(C[N@H+](C)CCF)cn1 ZINC000293677048 386859219 /nfs/dbraw/zinc/85/92/19/386859219.db2.gz PJXQUAKFRNEVKH-UHFFFAOYSA-N 1 2 213.300 1.940 20 0 BDADLO CC(C)Cn1cc(C[N@@H+](C)CCF)cn1 ZINC000293677048 386859224 /nfs/dbraw/zinc/85/92/24/386859224.db2.gz PJXQUAKFRNEVKH-UHFFFAOYSA-N 1 2 213.300 1.940 20 0 BDADLO CCN1CC[N@H+](Cc2cccs2)[C@H](C)C1=O ZINC000335741488 386859384 /nfs/dbraw/zinc/85/93/84/386859384.db2.gz OQMDECGZLBLINS-SNVBAGLBSA-N 1 2 238.356 1.801 20 0 BDADLO CCN1CC[N@@H+](Cc2cccs2)[C@H](C)C1=O ZINC000335741488 386859387 /nfs/dbraw/zinc/85/93/87/386859387.db2.gz OQMDECGZLBLINS-SNVBAGLBSA-N 1 2 238.356 1.801 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334794023 386859897 /nfs/dbraw/zinc/85/98/97/386859897.db2.gz OWBSKRPNLCYZCK-STQMWFEESA-N 1 2 247.342 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334794023 386859900 /nfs/dbraw/zinc/85/99/00/386859900.db2.gz OWBSKRPNLCYZCK-STQMWFEESA-N 1 2 247.342 1.719 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1 ZINC000335745971 386866809 /nfs/dbraw/zinc/86/68/09/386866809.db2.gz HLMPXTWWCMMJDR-UHFFFAOYSA-N 1 2 215.256 1.899 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(-c2ccncc2)n1 ZINC000357931516 386867375 /nfs/dbraw/zinc/86/73/75/386867375.db2.gz GRTXVJKJPIZNBK-UHFFFAOYSA-N 1 2 241.254 1.456 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)CF)cc2n1C ZINC000335748117 386871109 /nfs/dbraw/zinc/87/11/09/386871109.db2.gz RTEAJNQNGMCWQS-MRVPVSSYSA-N 1 2 249.289 1.970 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000052101902 386875941 /nfs/dbraw/zinc/87/59/41/386875941.db2.gz FNXVAFZMZGHICK-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000052101902 386875944 /nfs/dbraw/zinc/87/59/44/386875944.db2.gz FNXVAFZMZGHICK-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1occc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000334835361 386876323 /nfs/dbraw/zinc/87/63/23/386876323.db2.gz GRJKZBOBJBFKRG-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1occc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000334835361 386876326 /nfs/dbraw/zinc/87/63/26/386876326.db2.gz GRJKZBOBJBFKRG-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnn[nH]2)CCCO1 ZINC000331651074 386878912 /nfs/dbraw/zinc/87/89/12/386878912.db2.gz OSQVMEPSAGWOAA-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnn[nH]2)CCCO1 ZINC000331651074 386878917 /nfs/dbraw/zinc/87/89/17/386878917.db2.gz OSQVMEPSAGWOAA-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2c[nH]nn2)CCCO1 ZINC000331651074 386878921 /nfs/dbraw/zinc/87/89/21/386878921.db2.gz OSQVMEPSAGWOAA-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2c[nH]nn2)CCCO1 ZINC000331651074 386878928 /nfs/dbraw/zinc/87/89/28/386878928.db2.gz OSQVMEPSAGWOAA-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cn[nH]n2)CCCO1 ZINC000331651074 386878933 /nfs/dbraw/zinc/87/89/33/386878933.db2.gz OSQVMEPSAGWOAA-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cn[nH]n2)CCCO1 ZINC000331651074 386878938 /nfs/dbraw/zinc/87/89/38/386878938.db2.gz OSQVMEPSAGWOAA-LLVKDONJSA-N 1 2 224.308 1.052 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)C2)nn1 ZINC000334837895 386880681 /nfs/dbraw/zinc/88/06/81/386880681.db2.gz YMDXSGNLNLVBMT-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)C2)nn1 ZINC000334837895 386880686 /nfs/dbraw/zinc/88/06/86/386880686.db2.gz YMDXSGNLNLVBMT-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO CCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000335756048 386883028 /nfs/dbraw/zinc/88/30/28/386883028.db2.gz FTRNAZKTHNZSHN-UHFFFAOYSA-N 1 2 221.304 1.588 20 0 BDADLO Nc1nc(N2CC[C@@H](CO)C2)[nH+]c2ccccc12 ZINC000301901529 386889378 /nfs/dbraw/zinc/88/93/78/386889378.db2.gz NLWRUZODZZKTCQ-SECBINFHSA-N 1 2 244.298 1.031 20 0 BDADLO Cc1ccc(F)c(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000334843627 386890124 /nfs/dbraw/zinc/89/01/24/386890124.db2.gz KGRZSMIBCZIJKT-UHFFFAOYSA-N 1 2 246.241 1.909 20 0 BDADLO O=C(CCC1CC1)Nc1cc[nH+]cc1O ZINC000331826638 386913635 /nfs/dbraw/zinc/91/36/35/386913635.db2.gz IXRJHLHIPSYCMT-UHFFFAOYSA-N 1 2 206.245 1.338 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000349644829 386896328 /nfs/dbraw/zinc/89/63/28/386896328.db2.gz IOZOFSQNWCQISM-UHFFFAOYSA-N 1 2 247.302 1.274 20 0 BDADLO CSCCCN(C)c1cc(C)[nH+]cn1 ZINC000341384136 386899967 /nfs/dbraw/zinc/89/99/67/386899967.db2.gz MUIYRYPKPWBLBU-UHFFFAOYSA-N 1 2 211.334 1.974 20 0 BDADLO CC(C)c1nc(NCC(=O)NCC2CC2)cc[nH+]1 ZINC000302085275 386900545 /nfs/dbraw/zinc/90/05/45/386900545.db2.gz ZEMCLQCYEKPYNU-UHFFFAOYSA-N 1 2 248.330 1.538 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000335761849 386901101 /nfs/dbraw/zinc/90/11/01/386901101.db2.gz PEUWTHQXDVBIQY-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000335761849 386901107 /nfs/dbraw/zinc/90/11/07/386901107.db2.gz PEUWTHQXDVBIQY-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000330856750 386903060 /nfs/dbraw/zinc/90/30/60/386903060.db2.gz NTEQOHRZIZNIFE-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CCc1[nH]nc(NCc2[nH+]cc(C)n2C)c1C ZINC000341398251 386904545 /nfs/dbraw/zinc/90/45/45/386904545.db2.gz SJLGJSORAWVRSQ-UHFFFAOYSA-N 1 2 233.319 1.356 20 0 BDADLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000335766659 386910251 /nfs/dbraw/zinc/91/02/51/386910251.db2.gz AZKGSPDOJSQHDU-LLVKDONJSA-N 1 2 235.331 1.702 20 0 BDADLO O=C1COc2c(NCc3[nH]cc[nH+]3)cccc2N1 ZINC000367985402 386924892 /nfs/dbraw/zinc/92/48/92/386924892.db2.gz FFDVPMKPLZSNDH-UHFFFAOYSA-N 1 2 244.254 1.353 20 0 BDADLO COC(=O)C1(CNc2cc[nH+]c(C(C)C)n2)CC1 ZINC000302487772 386925895 /nfs/dbraw/zinc/92/58/95/386925895.db2.gz SELYSSZYIBKCQV-UHFFFAOYSA-N 1 2 249.314 1.965 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000331928420 386926820 /nfs/dbraw/zinc/92/68/20/386926820.db2.gz QKMKLVFOVHSMNI-OPRDCNLKSA-N 1 2 237.303 1.402 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC2CC(O)C2)[nH]1 ZINC000331966880 386932503 /nfs/dbraw/zinc/93/25/03/386932503.db2.gz LBORKEYJJMWWTQ-UHFFFAOYSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC2CC(O)C2)[nH]1 ZINC000331966880 386932509 /nfs/dbraw/zinc/93/25/09/386932509.db2.gz LBORKEYJJMWWTQ-UHFFFAOYSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCOCC[C@@H]2C)nn1 ZINC000368131194 386943839 /nfs/dbraw/zinc/94/38/39/386943839.db2.gz KCPYJQQKMXMJLY-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCOCC[C@@H]2C)nn1 ZINC000368131194 386943847 /nfs/dbraw/zinc/94/38/47/386943847.db2.gz KCPYJQQKMXMJLY-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO Cc1csc2c1C[N@H+](Cc1cnn(C)n1)CC2 ZINC000368124427 386944412 /nfs/dbraw/zinc/94/44/12/386944412.db2.gz RKDNYKUOTIXXIH-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1csc2c1C[N@@H+](Cc1cnn(C)n1)CC2 ZINC000368124427 386944417 /nfs/dbraw/zinc/94/44/17/386944417.db2.gz RKDNYKUOTIXXIH-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1CCCC1 ZINC000331010275 386944451 /nfs/dbraw/zinc/94/44/51/386944451.db2.gz VDNJIJVMIPMJDN-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)nc1 ZINC000334817891 386945554 /nfs/dbraw/zinc/94/55/54/386945554.db2.gz BTWJDAVNNDMVBR-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)nc1 ZINC000334817891 386945557 /nfs/dbraw/zinc/94/55/57/386945557.db2.gz BTWJDAVNNDMVBR-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n(C)n1 ZINC000334931508 387007248 /nfs/dbraw/zinc/00/72/48/387007248.db2.gz ASJINRICSFFPLH-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO c1cn([C@H]2CCC[N@@H+](Cc3cscn3)C2)nn1 ZINC000425356568 386968469 /nfs/dbraw/zinc/96/84/69/386968469.db2.gz WHFSJJWGHCSDPE-NSHDSACASA-N 1 2 249.343 1.572 20 0 BDADLO c1cn([C@H]2CCC[N@H+](Cc3cscn3)C2)nn1 ZINC000425356568 386968474 /nfs/dbraw/zinc/96/84/74/386968474.db2.gz WHFSJJWGHCSDPE-NSHDSACASA-N 1 2 249.343 1.572 20 0 BDADLO CC[C@H](OC)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332375969 386974588 /nfs/dbraw/zinc/97/45/88/386974588.db2.gz DUXPOPFBAWDGAC-ZJUUUORDSA-N 1 2 237.303 1.498 20 0 BDADLO CC[C@@H](NC(=O)[C@H](CC)OC)c1[nH]cc[nH+]1 ZINC000331291119 387007992 /nfs/dbraw/zinc/00/79/92/387007992.db2.gz WHZQMLFAHRKAMV-BDAKNGLRSA-N 1 2 225.292 1.402 20 0 BDADLO CC[C@H](NC(=O)[C@H](CC)OC)c1[nH]cc[nH+]1 ZINC000331291121 387008008 /nfs/dbraw/zinc/00/80/08/387008008.db2.gz WHZQMLFAHRKAMV-IUCAKERBSA-N 1 2 225.292 1.402 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000352978010 386981185 /nfs/dbraw/zinc/98/11/85/386981185.db2.gz SMSPTOZGPSGYNX-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccnc(C)n1 ZINC000352978010 386981187 /nfs/dbraw/zinc/98/11/87/386981187.db2.gz SMSPTOZGPSGYNX-ZDUSSCGKSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1C ZINC000331184305 386985896 /nfs/dbraw/zinc/98/58/96/386985896.db2.gz TXBSCMKAXDCBQF-QWRGUYRKSA-N 1 2 249.314 1.108 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1C ZINC000331184305 386985903 /nfs/dbraw/zinc/98/59/03/386985903.db2.gz TXBSCMKAXDCBQF-QWRGUYRKSA-N 1 2 249.314 1.108 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)s1 ZINC000358612347 386986962 /nfs/dbraw/zinc/98/69/62/386986962.db2.gz PDPMUUXKEOGAQY-VIFPVBQESA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H](CO)C(C)(C)C)s1 ZINC000358612347 386986967 /nfs/dbraw/zinc/98/69/67/386986967.db2.gz PDPMUUXKEOGAQY-VIFPVBQESA-N 1 2 243.376 1.685 20 0 BDADLO C[N@H+](Cc1ncc(C(C)(C)C)o1)C1(CO)CC1 ZINC000353020281 386989771 /nfs/dbraw/zinc/98/97/71/386989771.db2.gz AAXPLYOMQAXADE-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)C1(CO)CC1 ZINC000353020281 386989774 /nfs/dbraw/zinc/98/97/74/386989774.db2.gz AAXPLYOMQAXADE-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368639379 386997769 /nfs/dbraw/zinc/99/77/69/386997769.db2.gz URDRHNTYEVSGEQ-NWDGAFQWSA-N 1 2 213.321 1.522 20 0 BDADLO CC(C)CCOCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368639379 386997774 /nfs/dbraw/zinc/99/77/74/386997774.db2.gz URDRHNTYEVSGEQ-NWDGAFQWSA-N 1 2 213.321 1.522 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000332700611 387003080 /nfs/dbraw/zinc/00/30/80/387003080.db2.gz NDBINDZASTWXMI-DTORHVGOSA-N 1 2 225.292 1.304 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000332700611 387003086 /nfs/dbraw/zinc/00/30/86/387003086.db2.gz NDBINDZASTWXMI-DTORHVGOSA-N 1 2 225.292 1.304 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000332734357 387005819 /nfs/dbraw/zinc/00/58/19/387005819.db2.gz VJOLOLISZSEIRF-RKDXNWHRSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000332734357 387005824 /nfs/dbraw/zinc/00/58/24/387005824.db2.gz VJOLOLISZSEIRF-RKDXNWHRSA-N 1 2 225.292 1.446 20 0 BDADLO CCC1(CC)[C@H]([NH2+]CC(=O)OC)[C@H](C)[C@@H]1OC ZINC000191404018 386948641 /nfs/dbraw/zinc/94/86/41/386948641.db2.gz MULHAEWRNYJJEQ-WCQGTBRESA-N 1 2 243.347 1.589 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000418027108 387035398 /nfs/dbraw/zinc/03/53/98/387035398.db2.gz PCAZZIQVZKNXST-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000418027108 387035401 /nfs/dbraw/zinc/03/54/01/387035401.db2.gz PCAZZIQVZKNXST-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000334958129 387037818 /nfs/dbraw/zinc/03/78/18/387037818.db2.gz AMLQMUUMEOKKAI-NSHDSACASA-N 1 2 234.299 1.395 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000334958129 387037821 /nfs/dbraw/zinc/03/78/21/387037821.db2.gz AMLQMUUMEOKKAI-NSHDSACASA-N 1 2 234.299 1.395 20 0 BDADLO CCCCN(C)c1nc[nH+]c(N)c1Cl ZINC000227840743 387057315 /nfs/dbraw/zinc/05/73/15/387057315.db2.gz WZVWWZNOXIKIGT-UHFFFAOYSA-N 1 2 214.700 1.949 20 0 BDADLO CCCCN(C)c1[nH+]cnc(N)c1Cl ZINC000227840743 387057318 /nfs/dbraw/zinc/05/73/18/387057318.db2.gz WZVWWZNOXIKIGT-UHFFFAOYSA-N 1 2 214.700 1.949 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000369669940 387061022 /nfs/dbraw/zinc/06/10/22/387061022.db2.gz HDRZCVBPOQVAHW-GFCCVEGCSA-N 1 2 227.304 1.195 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000369669940 387061025 /nfs/dbraw/zinc/06/10/25/387061025.db2.gz HDRZCVBPOQVAHW-GFCCVEGCSA-N 1 2 227.304 1.195 20 0 BDADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)no1 ZINC000358772748 387011675 /nfs/dbraw/zinc/01/16/75/387011675.db2.gz ZAPJWXLBTHRNCZ-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cn[nH]c1 ZINC000358791041 387014128 /nfs/dbraw/zinc/01/41/28/387014128.db2.gz LCPZOFHDKCXISK-BXKDBHETSA-N 1 2 244.298 1.287 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1C/C=C/c1ccncc1 ZINC000334937636 387014911 /nfs/dbraw/zinc/01/49/11/387014911.db2.gz FNTSPWAHLDTTNG-ONEGZZNKSA-N 1 2 245.326 1.305 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1C/C=C/c1ccncc1 ZINC000334937636 387014915 /nfs/dbraw/zinc/01/49/15/387014915.db2.gz FNTSPWAHLDTTNG-ONEGZZNKSA-N 1 2 245.326 1.305 20 0 BDADLO COc1ncncc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000648021839 387016686 /nfs/dbraw/zinc/01/66/86/387016686.db2.gz NDNHTRRDKZOLRD-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ncncc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000648021839 387016690 /nfs/dbraw/zinc/01/66/90/387016690.db2.gz NDNHTRRDKZOLRD-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ncncc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000648021837 387017219 /nfs/dbraw/zinc/01/72/19/387017219.db2.gz NDNHTRRDKZOLRD-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ncncc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000648021837 387017224 /nfs/dbraw/zinc/01/72/24/387017224.db2.gz NDNHTRRDKZOLRD-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000334943343 387019919 /nfs/dbraw/zinc/01/99/19/387019919.db2.gz NMHMAWGPSLVGAK-DIYOJNKTSA-N 1 2 237.303 1.404 20 0 BDADLO Cc1ncc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)[nH]1 ZINC000519167032 387024021 /nfs/dbraw/zinc/02/40/21/387024021.db2.gz BROFNMFRGCWVKS-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@H]1[C@H]1CCCO1 ZINC000334982318 387070136 /nfs/dbraw/zinc/07/01/36/387070136.db2.gz MHYHIEYXOFTFNK-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@H]1[C@H]1CCCO1 ZINC000334982318 387070140 /nfs/dbraw/zinc/07/01/40/387070140.db2.gz MHYHIEYXOFTFNK-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO CCN(C[C@@H](C)O)c1cc[nH+]c(C2CC2)n1 ZINC000343259441 387072691 /nfs/dbraw/zinc/07/26/91/387072691.db2.gz ZDDMUFLXGJRBSF-SECBINFHSA-N 1 2 221.304 1.561 20 0 BDADLO Cn1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336253022 387085035 /nfs/dbraw/zinc/08/50/35/387085035.db2.gz LPJYYOVMRRSPRX-SNVBAGLBSA-N 1 2 244.298 1.036 20 0 BDADLO Cn1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336253022 387085039 /nfs/dbraw/zinc/08/50/39/387085039.db2.gz LPJYYOVMRRSPRX-SNVBAGLBSA-N 1 2 244.298 1.036 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000228299365 387088639 /nfs/dbraw/zinc/08/86/39/387088639.db2.gz BNBBACSWFHRLSZ-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000228299365 387088644 /nfs/dbraw/zinc/08/86/44/387088644.db2.gz BNBBACSWFHRLSZ-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000352342660 387091833 /nfs/dbraw/zinc/09/18/33/387091833.db2.gz WSAMBOWLYHATEV-JOYOIKCWSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@]1(C)CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000352342660 387091840 /nfs/dbraw/zinc/09/18/40/387091840.db2.gz WSAMBOWLYHATEV-JOYOIKCWSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H](C2CC2)O1 ZINC000334999646 387092140 /nfs/dbraw/zinc/09/21/40/387092140.db2.gz PTHFYVDRRUUQEA-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C2CC2)O1 ZINC000334999646 387092143 /nfs/dbraw/zinc/09/21/43/387092143.db2.gz PTHFYVDRRUUQEA-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C)C[C@H](C2CC2)O1 ZINC000334999644 387092248 /nfs/dbraw/zinc/09/22/48/387092248.db2.gz PTHFYVDRRUUQEA-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C2CC2)O1 ZINC000334999644 387092253 /nfs/dbraw/zinc/09/22/53/387092253.db2.gz PTHFYVDRRUUQEA-GXFFZTMASA-N 1 2 235.331 1.419 20 0 BDADLO CS[C@@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000336261519 387094563 /nfs/dbraw/zinc/09/45/63/387094563.db2.gz HIQDESLIDCNIEF-VXNVDRBHSA-N 1 2 227.333 1.876 20 0 BDADLO CS[C@@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000336261519 387094566 /nfs/dbraw/zinc/09/45/66/387094566.db2.gz HIQDESLIDCNIEF-VXNVDRBHSA-N 1 2 227.333 1.876 20 0 BDADLO Cc1cc(C)c(CN2C(=O)[C@H](C)N(C)C2=O)c[nH+]1 ZINC000335002304 387095430 /nfs/dbraw/zinc/09/54/30/387095430.db2.gz ACXXKRXBAHGYDA-JTQLQIEISA-N 1 2 247.298 1.481 20 0 BDADLO CC[C@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000335006814 387101315 /nfs/dbraw/zinc/10/13/15/387101315.db2.gz VHYXGJLEVIXHGK-LLVKDONJSA-N 1 2 247.298 1.529 20 0 BDADLO CC(C)n1c[nH+]cc1CNCC(F)(F)CO ZINC000228651402 387101524 /nfs/dbraw/zinc/10/15/24/387101524.db2.gz KXPPSOBGFNRLNS-UHFFFAOYSA-N 1 2 233.262 1.181 20 0 BDADLO C[C@@H](O)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000112553742 387104854 /nfs/dbraw/zinc/10/48/54/387104854.db2.gz SKLURSPTAWVLBU-MRVPVSSYSA-N 1 2 207.277 1.171 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)n(C)n1 ZINC000334947109 387108274 /nfs/dbraw/zinc/10/82/74/387108274.db2.gz FFRQPMLIQPMNSS-RISCZKNCSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)n(C)n1 ZINC000334947109 387108278 /nfs/dbraw/zinc/10/82/78/387108278.db2.gz FFRQPMLIQPMNSS-RISCZKNCSA-N 1 2 249.358 1.728 20 0 BDADLO FC[C@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000336279909 387109894 /nfs/dbraw/zinc/10/98/94/387109894.db2.gz JEQCNOSNETWWQE-NSHDSACASA-N 1 2 210.252 1.252 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000336279909 387109898 /nfs/dbraw/zinc/10/98/98/387109898.db2.gz JEQCNOSNETWWQE-NSHDSACASA-N 1 2 210.252 1.252 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@@]12CCOC2=O ZINC000186667448 387118346 /nfs/dbraw/zinc/11/83/46/387118346.db2.gz TVAFMJYZMWPYBK-ZDUSSCGKSA-N 1 2 249.314 1.185 20 0 BDADLO CCCn1cc(C(=O)Nc2cc[nH+]cc2O)cn1 ZINC000359566549 387123550 /nfs/dbraw/zinc/12/35/50/387123550.db2.gz WAUSXJFLTCNQDT-UHFFFAOYSA-N 1 2 246.270 1.068 20 0 BDADLO O=S1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000119400113 387125094 /nfs/dbraw/zinc/12/50/94/387125094.db2.gz XLRMBEVXUXEQPH-UHFFFAOYSA-N 1 2 249.339 1.127 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnoc2C)[C@@H](C)C1 ZINC000336314144 387141805 /nfs/dbraw/zinc/14/18/05/387141805.db2.gz CKAATHFUBFDVCB-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnoc2C)[C@@H](C)C1 ZINC000336314144 387141807 /nfs/dbraw/zinc/14/18/07/387141807.db2.gz CKAATHFUBFDVCB-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccco1 ZINC000353152188 387145418 /nfs/dbraw/zinc/14/54/18/387145418.db2.gz HSCPXALOSIPTFO-UHFFFAOYSA-N 1 2 211.261 1.663 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccco1 ZINC000353152188 387145423 /nfs/dbraw/zinc/14/54/23/387145423.db2.gz HSCPXALOSIPTFO-UHFFFAOYSA-N 1 2 211.261 1.663 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)[C@H]1CCSC1 ZINC000120015584 387147077 /nfs/dbraw/zinc/14/70/77/387147077.db2.gz BAOUWUHEALWGTM-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@H]1CCSC1 ZINC000120015584 387147082 /nfs/dbraw/zinc/14/70/82/387147082.db2.gz BAOUWUHEALWGTM-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1ncnn1C(C)C ZINC000353216287 387157636 /nfs/dbraw/zinc/15/76/36/387157636.db2.gz DTGUDXDSTJANKJ-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1ncnn1C(C)C ZINC000353216287 387157639 /nfs/dbraw/zinc/15/76/39/387157639.db2.gz DTGUDXDSTJANKJ-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO C[C@@]1(O)CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000571766637 387165500 /nfs/dbraw/zinc/16/55/00/387165500.db2.gz GSBUZCIEMIVMCR-CYBMUJFWSA-N 1 2 248.330 1.402 20 0 BDADLO C[C@@]1(O)CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000571766637 387165508 /nfs/dbraw/zinc/16/55/08/387165508.db2.gz GSBUZCIEMIVMCR-CYBMUJFWSA-N 1 2 248.330 1.402 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000353258502 387165629 /nfs/dbraw/zinc/16/56/29/387165629.db2.gz UHMYSAUOYNYWFX-RKDXNWHRSA-N 1 2 239.323 1.036 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000353258502 387165638 /nfs/dbraw/zinc/16/56/38/387165638.db2.gz UHMYSAUOYNYWFX-RKDXNWHRSA-N 1 2 239.323 1.036 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085674260 387167981 /nfs/dbraw/zinc/16/79/81/387167981.db2.gz BCPAWIVPCZXPLK-JLLWLGSASA-N 1 2 241.331 1.343 20 0 BDADLO CN(c1cc(NCC2CC2)[nH+]cn1)C1CC(O)C1 ZINC000353271884 387168331 /nfs/dbraw/zinc/16/83/31/387168331.db2.gz ZLSYFIUZHKMHFI-UHFFFAOYSA-N 1 2 248.330 1.258 20 0 BDADLO CN(c1cc(NCC2CC2)nc[nH+]1)C1CC(O)C1 ZINC000353271884 387168337 /nfs/dbraw/zinc/16/83/37/387168337.db2.gz ZLSYFIUZHKMHFI-UHFFFAOYSA-N 1 2 248.330 1.258 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571804606 387173497 /nfs/dbraw/zinc/17/34/97/387173497.db2.gz VWDJJEQSBFLYQS-GFCCVEGCSA-N 1 2 247.342 1.918 20 0 BDADLO C/C=C(/C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000336350262 387179689 /nfs/dbraw/zinc/17/96/89/387179689.db2.gz OHUOOGIHKMCUKH-YWEYNIOJSA-N 1 2 218.260 1.817 20 0 BDADLO CCCC[NH+](CCCC)Cc1nnn(C)n1 ZINC000193235224 387182044 /nfs/dbraw/zinc/18/20/44/387182044.db2.gz WJXXHGYKTOPMNL-UHFFFAOYSA-N 1 2 225.340 1.612 20 0 BDADLO CC(=O)C1(C(=O)Nc2c[nH+]c3n2CCCC3)CC1 ZINC000336304814 387133747 /nfs/dbraw/zinc/13/37/47/387133747.db2.gz GRDYXKLECPEOQV-UHFFFAOYSA-N 1 2 247.298 1.527 20 0 BDADLO Nc1nc(NC2(CO)CCC2)[nH+]c2ccccc12 ZINC000536994800 387136291 /nfs/dbraw/zinc/13/62/91/387136291.db2.gz TZWPUTXHFMTQGM-UHFFFAOYSA-N 1 2 244.298 1.369 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000359623995 387136870 /nfs/dbraw/zinc/13/68/70/387136870.db2.gz XQPMHNHHIZEPKW-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000359623995 387136876 /nfs/dbraw/zinc/13/68/76/387136876.db2.gz XQPMHNHHIZEPKW-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+](CCOC(C)(C)C)Cc1cn(C)nn1 ZINC000359645958 387140032 /nfs/dbraw/zinc/14/00/32/387140032.db2.gz HMXKZGXRVIUDHR-UHFFFAOYSA-N 1 2 240.351 1.452 20 0 BDADLO CC[N@@H+](CCOC(C)(C)C)Cc1cn(C)nn1 ZINC000359645958 387140038 /nfs/dbraw/zinc/14/00/38/387140038.db2.gz HMXKZGXRVIUDHR-UHFFFAOYSA-N 1 2 240.351 1.452 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(=O)[nH]c1 ZINC000359653208 387140333 /nfs/dbraw/zinc/14/03/33/387140333.db2.gz YNLUBBARJBLCSH-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@@H]1F ZINC000424595736 387204843 /nfs/dbraw/zinc/20/48/43/387204843.db2.gz RTVOISNIHRGIDP-WCABBAIRSA-N 1 2 225.267 1.136 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CC(F)F)[nH+]1 ZINC000336374976 387205473 /nfs/dbraw/zinc/20/54/73/387205473.db2.gz HYPICWMTWGWFDS-UHFFFAOYSA-N 1 2 226.230 1.968 20 0 BDADLO CC[C@H](C)[C@H](C)[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344914 387209130 /nfs/dbraw/zinc/20/91/30/387209130.db2.gz OYKTVZBEHWGFCJ-UWVGGRQHSA-N 1 2 237.351 1.609 20 0 BDADLO CC[C@H](C)[C@H](C)[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000193344914 387209136 /nfs/dbraw/zinc/20/91/36/387209136.db2.gz OYKTVZBEHWGFCJ-UWVGGRQHSA-N 1 2 237.351 1.609 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)C1CC(O)C1 ZINC000353494476 387214446 /nfs/dbraw/zinc/21/44/46/387214446.db2.gz YNWSTNZTGWVIGG-UHFFFAOYSA-N 1 2 231.246 1.233 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)C1CC(O)C1 ZINC000353494476 387214450 /nfs/dbraw/zinc/21/44/50/387214450.db2.gz YNWSTNZTGWVIGG-UHFFFAOYSA-N 1 2 231.246 1.233 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCO2)oc1C ZINC000187821348 387215238 /nfs/dbraw/zinc/21/52/38/387215238.db2.gz KVRZESSLGNEGOI-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCO2)oc1C ZINC000187821348 387215241 /nfs/dbraw/zinc/21/52/41/387215241.db2.gz KVRZESSLGNEGOI-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO OC[C@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000063002141 387219734 /nfs/dbraw/zinc/21/97/34/387219734.db2.gz SMJCTBQVIXBALD-LBPRGKRZSA-N 1 2 229.283 1.300 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000063000468 387219751 /nfs/dbraw/zinc/21/97/51/387219751.db2.gz WCPAVVRROQYEGG-ZDUSSCGKSA-N 1 2 245.326 1.726 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000063002140 387221651 /nfs/dbraw/zinc/22/16/51/387221651.db2.gz SMJCTBQVIXBALD-GFCCVEGCSA-N 1 2 229.283 1.300 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCSC1 ZINC000336396306 387224906 /nfs/dbraw/zinc/22/49/06/387224906.db2.gz RCCDLACNQVJYNX-SECBINFHSA-N 1 2 239.344 1.511 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)C1CC(O)C1 ZINC000353540064 387226682 /nfs/dbraw/zinc/22/66/82/387226682.db2.gz YGLDGLZYZWOBQK-UHFFFAOYSA-N 1 2 223.320 1.419 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)C1CC(O)C1 ZINC000353540064 387226689 /nfs/dbraw/zinc/22/66/89/387226689.db2.gz YGLDGLZYZWOBQK-UHFFFAOYSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292877864 387232115 /nfs/dbraw/zinc/23/21/15/387232115.db2.gz XSQAQJPQXJYTTM-SCZZXKLOSA-N 1 2 215.243 1.963 20 0 BDADLO CCN1CC[N@H+](CCc2cccc(C)n2)[C@@H](C)C1 ZINC000572116677 387237925 /nfs/dbraw/zinc/23/79/25/387237925.db2.gz AGXKCMYVEMYSJW-AWEZNQCLSA-N 1 2 247.386 1.959 20 0 BDADLO CCN1CC[N@@H+](CCc2cccc(C)n2)[C@@H](C)C1 ZINC000572116677 387237930 /nfs/dbraw/zinc/23/79/30/387237930.db2.gz AGXKCMYVEMYSJW-AWEZNQCLSA-N 1 2 247.386 1.959 20 0 BDADLO CC(F)(F)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336409437 387238609 /nfs/dbraw/zinc/23/86/09/387238609.db2.gz RRNKGQZMBYIOET-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CC1CC1 ZINC000371666173 387239652 /nfs/dbraw/zinc/23/96/52/387239652.db2.gz SBDPOIGYSKAZEL-LLVKDONJSA-N 1 2 233.315 1.884 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)n1cccn1 ZINC000424669286 387241611 /nfs/dbraw/zinc/24/16/11/387241611.db2.gz YCOHPCLOIOLKQK-JTQLQIEISA-N 1 2 247.302 1.216 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000336413574 387242051 /nfs/dbraw/zinc/24/20/51/387242051.db2.gz UDMJZUPDQLIONA-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000336413574 387242053 /nfs/dbraw/zinc/24/20/53/387242053.db2.gz UDMJZUPDQLIONA-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@H]2C2CC2)nc[nH+]1 ZINC000230307790 387258749 /nfs/dbraw/zinc/25/87/49/387258749.db2.gz GNOBYZLBGDVIDA-PWSUYJOCSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@H]2C2CC2)cc[nH+]1 ZINC000230309108 387259458 /nfs/dbraw/zinc/25/94/58/387259458.db2.gz KQRPRTWHGXIOFW-PWSUYJOCSA-N 1 2 219.288 1.764 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)Cc1cccc2cc[nH]c21 ZINC000353700443 387261099 /nfs/dbraw/zinc/26/10/99/387261099.db2.gz WVSLQLMFVXWLEG-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)Cc1cccc2cc[nH]c21 ZINC000353700443 387261101 /nfs/dbraw/zinc/26/11/01/387261101.db2.gz WVSLQLMFVXWLEG-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@@H]1F ZINC000424744487 387265770 /nfs/dbraw/zinc/26/57/70/387265770.db2.gz UTKDYVPBBUBTGA-CMPLNLGQSA-N 1 2 239.294 1.480 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCCCO1 ZINC000336450803 387280404 /nfs/dbraw/zinc/28/04/04/387280404.db2.gz CSKNEBBHURJGPG-UHFFFAOYSA-N 1 2 221.260 1.371 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000336465896 387294640 /nfs/dbraw/zinc/29/46/40/387294640.db2.gz MPPGEVSNBNDCRY-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000336465896 387294645 /nfs/dbraw/zinc/29/46/45/387294645.db2.gz MPPGEVSNBNDCRY-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO C[C@H]1OCC[C@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000372359533 387296131 /nfs/dbraw/zinc/29/61/31/387296131.db2.gz VNSYAVDPXARGNL-GHMZBOCLSA-N 1 2 244.298 1.279 20 0 BDADLO COC[C@](C)([NH2+]CCC1CCCC1)C(=O)OC ZINC000121184771 387306088 /nfs/dbraw/zinc/30/60/88/387306088.db2.gz YOWKBIIUPULPTR-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO Cn1nncc1C[NH2+][C@H]1COc2cccc(F)c21 ZINC000373287728 387354995 /nfs/dbraw/zinc/35/49/95/387354995.db2.gz WUVUCVQSYHSRKK-JTQLQIEISA-N 1 2 248.261 1.178 20 0 BDADLO Cc1csc(CN2CCn3cc(C)[nH+]c3C2)n1 ZINC000373319457 387357092 /nfs/dbraw/zinc/35/70/92/387357092.db2.gz UNAPIJPBYRTMJB-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cn1 ZINC000336534363 387358049 /nfs/dbraw/zinc/35/80/49/387358049.db2.gz ZPVBVFDIRGHHHW-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cn1 ZINC000336534363 387358054 /nfs/dbraw/zinc/35/80/54/387358054.db2.gz ZPVBVFDIRGHHHW-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000336534363 387358059 /nfs/dbraw/zinc/35/80/59/387358059.db2.gz ZPVBVFDIRGHHHW-LLVKDONJSA-N 1 2 231.303 1.480 20 0 BDADLO CNC(=O)[C@@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000515432974 387378359 /nfs/dbraw/zinc/37/83/59/387378359.db2.gz NQDNHTNMACUFKZ-ZDUSSCGKSA-N 1 2 248.330 1.056 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCOC2)c(C)s1 ZINC000336554887 387378400 /nfs/dbraw/zinc/37/84/00/387378400.db2.gz TTZSZENSWUYVOO-SNVBAGLBSA-N 1 2 226.345 1.981 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCOC2)c(C)s1 ZINC000336554887 387378407 /nfs/dbraw/zinc/37/84/07/387378407.db2.gz TTZSZENSWUYVOO-SNVBAGLBSA-N 1 2 226.345 1.981 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1nccn1C ZINC000336557288 387379847 /nfs/dbraw/zinc/37/98/47/387379847.db2.gz ZRVVXNQEKKKCOV-KOLCDFICSA-N 1 2 245.330 1.871 20 0 BDADLO CCc1c(C(=O)NCc2c[nH+]c[nH]2)ccn1C ZINC000354471482 387381471 /nfs/dbraw/zinc/38/14/71/387381471.db2.gz ZQEZLHYWJPPLSY-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CCc1c(C(=O)NCc2c[nH]c[nH+]2)ccn1C ZINC000354471482 387381473 /nfs/dbraw/zinc/38/14/73/387381473.db2.gz ZQEZLHYWJPPLSY-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121288695 387322757 /nfs/dbraw/zinc/32/27/57/387322757.db2.gz PHMPICPKEAHUOB-SMDDNHRTSA-N 1 2 248.326 1.108 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121288695 387322762 /nfs/dbraw/zinc/32/27/62/387322762.db2.gz PHMPICPKEAHUOB-SMDDNHRTSA-N 1 2 248.326 1.108 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccc(F)cn1)CC2 ZINC000372754368 387324170 /nfs/dbraw/zinc/32/41/70/387324170.db2.gz YPXBBVOPGIXZSY-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCOCC(F)F)CC2 ZINC000372751525 387324430 /nfs/dbraw/zinc/32/44/30/387324430.db2.gz PTQRCLBBQIUCEA-UHFFFAOYSA-N 1 2 245.273 1.289 20 0 BDADLO C([NH2+][C@@H]1CCO[C@H]1C1CC1)c1noc(C2CC2)n1 ZINC000372810088 387328247 /nfs/dbraw/zinc/32/82/47/387328247.db2.gz NCVONATUIOZGOP-PWSUYJOCSA-N 1 2 249.314 1.604 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000336509240 387333822 /nfs/dbraw/zinc/33/38/22/387333822.db2.gz RCNJHJSTDIJCHC-NXEZZACHSA-N 1 2 208.309 1.699 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000336509240 387333827 /nfs/dbraw/zinc/33/38/27/387333827.db2.gz RCNJHJSTDIJCHC-NXEZZACHSA-N 1 2 208.309 1.699 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2ncccn2)c(C)n1 ZINC000515171329 387343544 /nfs/dbraw/zinc/34/35/44/387343544.db2.gz PAUYCTAMGCKFPX-VIFPVBQESA-N 1 2 243.314 1.734 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1CC1(F)CC1 ZINC000525978289 387344136 /nfs/dbraw/zinc/34/41/36/387344136.db2.gz AMXCHDMICHMWQM-VIFPVBQESA-N 1 2 214.284 1.089 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1CC1(F)CC1 ZINC000525978289 387344137 /nfs/dbraw/zinc/34/41/37/387344137.db2.gz AMXCHDMICHMWQM-VIFPVBQESA-N 1 2 214.284 1.089 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000360733696 387344717 /nfs/dbraw/zinc/34/47/17/387344717.db2.gz CKAUKSVQEMPZBQ-ZYHUDNBSSA-N 1 2 221.304 1.708 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000360733696 387344720 /nfs/dbraw/zinc/34/47/20/387344720.db2.gz CKAUKSVQEMPZBQ-ZYHUDNBSSA-N 1 2 221.304 1.708 20 0 BDADLO CCc1c(C(=O)NCCc2[nH]cc[nH+]2)ccn1C ZINC000354203274 387345707 /nfs/dbraw/zinc/34/57/07/387345707.db2.gz ASXRNRCVOUCSQR-UHFFFAOYSA-N 1 2 246.314 1.283 20 0 BDADLO CC(C)n1cc(C[NH+]2CC3(C2)CCOC3)nn1 ZINC000354757953 387427833 /nfs/dbraw/zinc/42/78/33/387427833.db2.gz BPSSOARKQNMFKC-UHFFFAOYSA-N 1 2 236.319 1.081 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000304112531 387436644 /nfs/dbraw/zinc/43/66/44/387436644.db2.gz MXEYADJTWPRPSD-MNOVXSKESA-N 1 2 239.319 1.503 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000304112531 387436652 /nfs/dbraw/zinc/43/66/52/387436652.db2.gz MXEYADJTWPRPSD-MNOVXSKESA-N 1 2 239.319 1.503 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000361303607 387436974 /nfs/dbraw/zinc/43/69/74/387436974.db2.gz DHQDVFHDOSYVSZ-GFCCVEGCSA-N 1 2 239.363 1.649 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000361303607 387436980 /nfs/dbraw/zinc/43/69/80/387436980.db2.gz DHQDVFHDOSYVSZ-GFCCVEGCSA-N 1 2 239.363 1.649 20 0 BDADLO COc1cccnc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000515870779 387439629 /nfs/dbraw/zinc/43/96/29/387439629.db2.gz ZJFSNCJFXBISDZ-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO CC(C)c1cccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000354874224 387440812 /nfs/dbraw/zinc/44/08/12/387440812.db2.gz URBTUZMZDDTCRS-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CC(C)c1cccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000354874224 387440816 /nfs/dbraw/zinc/44/08/16/387440816.db2.gz URBTUZMZDDTCRS-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO C[N@H+](CCCCOC(C)(C)C)Cc1nnc[nH]1 ZINC000354867664 387440842 /nfs/dbraw/zinc/44/08/42/387440842.db2.gz YWSPCDKTVYSCRA-UHFFFAOYSA-N 1 2 240.351 1.832 20 0 BDADLO C[N@@H+](CCCCOC(C)(C)C)Cc1nnc[nH]1 ZINC000354867664 387440844 /nfs/dbraw/zinc/44/08/44/387440844.db2.gz YWSPCDKTVYSCRA-UHFFFAOYSA-N 1 2 240.351 1.832 20 0 BDADLO CC(=O)CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374359726 387445292 /nfs/dbraw/zinc/44/52/92/387445292.db2.gz LDDWHZXVLVZRQC-UHFFFAOYSA-N 1 2 249.314 1.485 20 0 BDADLO CC(=O)CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374359726 387445295 /nfs/dbraw/zinc/44/52/95/387445295.db2.gz LDDWHZXVLVZRQC-UHFFFAOYSA-N 1 2 249.314 1.485 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC1(C)CC1 ZINC000516135683 387462224 /nfs/dbraw/zinc/46/22/24/387462224.db2.gz LMNBYSSRMVTIQE-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC2(CCC2)O1 ZINC000516068737 387453857 /nfs/dbraw/zinc/45/38/57/387453857.db2.gz MDGYQHIWDQKGHG-NSHDSACASA-N 1 2 249.314 1.053 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC2(CCC2)O1 ZINC000516068736 387454105 /nfs/dbraw/zinc/45/41/05/387454105.db2.gz MDGYQHIWDQKGHG-LLVKDONJSA-N 1 2 249.314 1.053 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000516129063 387459336 /nfs/dbraw/zinc/45/93/36/387459336.db2.gz ZBDVNRJTZSMDEU-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000516129063 387459339 /nfs/dbraw/zinc/45/93/39/387459339.db2.gz ZBDVNRJTZSMDEU-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032687372 387387416 /nfs/dbraw/zinc/38/74/16/387387416.db2.gz RBFQNJMDACQESZ-GXSJLCMTSA-N 1 2 233.315 1.420 20 0 BDADLO O=C1C[N@H+](CCCc2ccsc2)CCN1 ZINC000361020082 387390348 /nfs/dbraw/zinc/39/03/48/387390348.db2.gz GNRKYVWKDZOMGC-UHFFFAOYSA-N 1 2 224.329 1.113 20 0 BDADLO O=C1C[N@@H+](CCCc2ccsc2)CCN1 ZINC000361020082 387390355 /nfs/dbraw/zinc/39/03/55/387390355.db2.gz GNRKYVWKDZOMGC-UHFFFAOYSA-N 1 2 224.329 1.113 20 0 BDADLO C[NH2+][C@H](C)CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000423643923 387392499 /nfs/dbraw/zinc/39/24/99/387392499.db2.gz XTPCTZZRRUDSLC-ZCFIWIBFSA-N 1 2 244.241 1.008 20 0 BDADLO O=C(COC(F)F)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000354555776 387394008 /nfs/dbraw/zinc/39/40/08/387394008.db2.gz ATQXGCCQYBIWSC-ZETCQYMHSA-N 1 2 245.229 1.312 20 0 BDADLO CC(=O)NCCNc1[nH+]ccc2ccc(F)cc21 ZINC000354559182 387394597 /nfs/dbraw/zinc/39/45/97/387394597.db2.gz ISOPEHXQUBUJTK-UHFFFAOYSA-N 1 2 247.273 1.922 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000373829861 387398677 /nfs/dbraw/zinc/39/86/77/387398677.db2.gz VNVIXQRXDLUODO-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000373829861 387398683 /nfs/dbraw/zinc/39/86/83/387398683.db2.gz VNVIXQRXDLUODO-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1cn2ccccc2[nH+]1 ZINC000361183275 387412895 /nfs/dbraw/zinc/41/28/95/387412895.db2.gz RARIUZONZDTKBB-SNVBAGLBSA-N 1 2 247.298 1.328 20 0 BDADLO CCCc1nc(C[N@H+](C[C@H](C)O)C(C)C)no1 ZINC000303994803 387421699 /nfs/dbraw/zinc/42/16/99/387421699.db2.gz OQKFYBWZIFLMKJ-JTQLQIEISA-N 1 2 241.335 1.613 20 0 BDADLO CCCc1nc(C[N@@H+](C[C@H](C)O)C(C)C)no1 ZINC000303994803 387421702 /nfs/dbraw/zinc/42/17/02/387421702.db2.gz OQKFYBWZIFLMKJ-JTQLQIEISA-N 1 2 241.335 1.613 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000355208584 387497516 /nfs/dbraw/zinc/49/75/16/387497516.db2.gz URWWNQDNWMLLTN-WOPDTQHZSA-N 1 2 247.342 1.923 20 0 BDADLO CCCc1noc(C[N@H+](CC)C[C@H](C)OC)n1 ZINC000361572741 387500086 /nfs/dbraw/zinc/50/00/86/387500086.db2.gz GPVPYOQNCWFQHE-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1noc(C[N@@H+](CC)C[C@H](C)OC)n1 ZINC000361572741 387500088 /nfs/dbraw/zinc/50/00/88/387500088.db2.gz GPVPYOQNCWFQHE-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO C[C@@H](CC(N)=O)Nc1ccc2ccccc2[nH+]1 ZINC000122241490 387501014 /nfs/dbraw/zinc/50/10/14/387501014.db2.gz PJGQWIZUGYSIIF-VIFPVBQESA-N 1 2 229.283 1.911 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3ncccn3)C2)c1 ZINC000361593010 387504395 /nfs/dbraw/zinc/50/43/95/387504395.db2.gz XIIWYKPZFIAHQH-LLVKDONJSA-N 1 2 229.287 1.120 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3ncccn3)C2)c1 ZINC000361593010 387504399 /nfs/dbraw/zinc/50/43/99/387504399.db2.gz XIIWYKPZFIAHQH-LLVKDONJSA-N 1 2 229.287 1.120 20 0 BDADLO CS[C@@H](C)CCC(=O)NCc1c[nH+]cn1C ZINC000355263496 387508147 /nfs/dbraw/zinc/50/81/47/387508147.db2.gz IOMXKNZUPLHHMU-VIFPVBQESA-N 1 2 241.360 1.568 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)nc1C ZINC000361628944 387513897 /nfs/dbraw/zinc/51/38/97/387513897.db2.gz JQAMVEYVVSVBPM-LLVKDONJSA-N 1 2 236.315 1.692 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)nc1C ZINC000361628944 387513901 /nfs/dbraw/zinc/51/39/01/387513901.db2.gz JQAMVEYVVSVBPM-LLVKDONJSA-N 1 2 236.315 1.692 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000355335270 387521262 /nfs/dbraw/zinc/52/12/62/387521262.db2.gz BDHNIXFUMHNAIE-UTUOFQBUSA-N 1 2 240.347 1.105 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000355335270 387521265 /nfs/dbraw/zinc/52/12/65/387521265.db2.gz BDHNIXFUMHNAIE-UTUOFQBUSA-N 1 2 240.347 1.105 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)[nH]1 ZINC000375300291 387523840 /nfs/dbraw/zinc/52/38/40/387523840.db2.gz ZCFQEWZTRMZUFZ-CYBMUJFWSA-N 1 2 235.331 1.801 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)[nH]1 ZINC000375300291 387523845 /nfs/dbraw/zinc/52/38/45/387523845.db2.gz ZCFQEWZTRMZUFZ-CYBMUJFWSA-N 1 2 235.331 1.801 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375318820 387526031 /nfs/dbraw/zinc/52/60/31/387526031.db2.gz KKMAXRNZOXIPMA-RYUDHWBXSA-N 1 2 239.315 1.193 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375318820 387526033 /nfs/dbraw/zinc/52/60/33/387526033.db2.gz KKMAXRNZOXIPMA-RYUDHWBXSA-N 1 2 239.315 1.193 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CC[C@@](C)(F)C2)cn1 ZINC000355363663 387526201 /nfs/dbraw/zinc/52/62/01/387526201.db2.gz KAFWXUVNUCHOPP-GFCCVEGCSA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CC[C@@](C)(F)C2)cn1 ZINC000355363663 387526204 /nfs/dbraw/zinc/52/62/04/387526204.db2.gz KAFWXUVNUCHOPP-GFCCVEGCSA-N 1 2 238.310 1.477 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)s1 ZINC000426162645 387544729 /nfs/dbraw/zinc/54/47/29/387544729.db2.gz PWLFSDVILJTIGQ-APPZFPTMSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](O)[C@H](C)C2)s1 ZINC000426162645 387544734 /nfs/dbraw/zinc/54/47/34/387544734.db2.gz PWLFSDVILJTIGQ-APPZFPTMSA-N 1 2 227.333 1.049 20 0 BDADLO CC(C)CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355080057 387474364 /nfs/dbraw/zinc/47/43/64/387474364.db2.gz ZFSMOXAZVHAVBT-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355080057 387474371 /nfs/dbraw/zinc/47/43/71/387474371.db2.gz ZFSMOXAZVHAVBT-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCn1cc[nH+]c1CN1CC(C)(OC)C1 ZINC000516158391 387474773 /nfs/dbraw/zinc/47/47/73/387474773.db2.gz GTKMJQAZYCIMDW-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CC(F)(F)F)CC2 ZINC000374661727 387477569 /nfs/dbraw/zinc/47/75/69/387477569.db2.gz ILFONLTUTHCXHB-UHFFFAOYSA-N 1 2 247.220 1.486 20 0 BDADLO CSCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374666263 387478761 /nfs/dbraw/zinc/47/87/61/387478761.db2.gz VVLSQHGVTCVZMS-UHFFFAOYSA-N 1 2 239.344 1.287 20 0 BDADLO C[C@H](NC(=O)C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000355099993 387480818 /nfs/dbraw/zinc/48/08/18/387480818.db2.gz AWRQAROUAGNWFK-QWRGUYRKSA-N 1 2 242.363 1.258 20 0 BDADLO c1cc2c(nc[nH+]c2S[C@H]2CCOC2)[nH]1 ZINC000336633985 387485647 /nfs/dbraw/zinc/48/56/47/387485647.db2.gz LXVQNRMPRJREIB-ZETCQYMHSA-N 1 2 221.285 1.839 20 0 BDADLO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ncn(C)n1 ZINC000396777594 387491268 /nfs/dbraw/zinc/49/12/68/387491268.db2.gz CSGVSIUKDVFTRP-BDAKNGLRSA-N 1 2 224.308 1.033 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccncc1C)CC2 ZINC000648511355 387491870 /nfs/dbraw/zinc/49/18/70/387491870.db2.gz WWICUNHUHYTKLY-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccncc1C)CC2 ZINC000648511355 387491876 /nfs/dbraw/zinc/49/18/76/387491876.db2.gz WWICUNHUHYTKLY-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1CCCC1)C2 ZINC000375772618 387580920 /nfs/dbraw/zinc/58/09/20/387580920.db2.gz KDGBOJJZJXMZMY-GFCCVEGCSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)no1 ZINC000528757755 387588802 /nfs/dbraw/zinc/58/88/02/387588802.db2.gz FSRXHKKVTKTNRU-WHSYLGORSA-N 1 2 239.319 1.841 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000362312296 387594064 /nfs/dbraw/zinc/59/40/64/387594064.db2.gz IVZRTZWFUWKDQK-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO CCCn1cc(C[NH+]2CC(C)(OC)C2)cn1 ZINC000362308527 387595332 /nfs/dbraw/zinc/59/53/32/387595332.db2.gz JGEJLYPWIQVAPN-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncn(C)n2)ccn1 ZINC000527539561 387607646 /nfs/dbraw/zinc/60/76/46/387607646.db2.gz RTWQMHXBCVFKKT-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cn1nnnc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000356028705 387607756 /nfs/dbraw/zinc/60/77/56/387607756.db2.gz KOYJBTYZACSNKR-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cn1nnnc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000356028705 387607760 /nfs/dbraw/zinc/60/77/60/387607760.db2.gz KOYJBTYZACSNKR-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000356032921 387609838 /nfs/dbraw/zinc/60/98/38/387609838.db2.gz AJMZCVRTONSLSN-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(C)(C)C ZINC000356032921 387609841 /nfs/dbraw/zinc/60/98/41/387609841.db2.gz AJMZCVRTONSLSN-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cnns1 ZINC000430344386 387611772 /nfs/dbraw/zinc/61/17/72/387611772.db2.gz OLOIPEQEJQSQFH-HTQZYQBOSA-N 1 2 240.332 1.349 20 0 BDADLO CCSCC[C@@H](C)[N@H+](C)Cc1nnnn1C ZINC000362453817 387614683 /nfs/dbraw/zinc/61/46/83/387614683.db2.gz POAWIQFJDDYZCQ-SECBINFHSA-N 1 2 243.380 1.174 20 0 BDADLO CCSCC[C@@H](C)[N@@H+](C)Cc1nnnn1C ZINC000362453817 387614686 /nfs/dbraw/zinc/61/46/86/387614686.db2.gz POAWIQFJDDYZCQ-SECBINFHSA-N 1 2 243.380 1.174 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)s1 ZINC000426162654 387544917 /nfs/dbraw/zinc/54/49/17/387544917.db2.gz PWLFSDVILJTIGQ-VXNVDRBHSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)s1 ZINC000426162654 387544919 /nfs/dbraw/zinc/54/49/19/387544919.db2.gz PWLFSDVILJTIGQ-VXNVDRBHSA-N 1 2 227.333 1.049 20 0 BDADLO CC(C)CCC[N@H+](C)Cc1nnnn1C ZINC000426481042 387574164 /nfs/dbraw/zinc/57/41/64/387574164.db2.gz XQNQOWGEEPXKLH-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO CC(C)CCC[N@@H+](C)Cc1nnnn1C ZINC000426481042 387574166 /nfs/dbraw/zinc/57/41/66/387574166.db2.gz XQNQOWGEEPXKLH-UHFFFAOYSA-N 1 2 211.313 1.078 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2cccnc2)n1 ZINC000424120559 387579706 /nfs/dbraw/zinc/57/97/06/387579706.db2.gz FCHXNTCRWKLIPT-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H](C)c1nncn1C ZINC000126762151 387694786 /nfs/dbraw/zinc/69/47/86/387694786.db2.gz KDARWRCOSUTVBE-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)C2(C)C)ccn1 ZINC000527535930 387630481 /nfs/dbraw/zinc/63/04/81/387630481.db2.gz VLKLHWVOMRISMW-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)C2(C)C)ccn1 ZINC000527535930 387630484 /nfs/dbraw/zinc/63/04/84/387630484.db2.gz VLKLHWVOMRISMW-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO COCc1nc(C[N@@H+]2CCCCC[C@@H]2C)no1 ZINC000356263496 387635195 /nfs/dbraw/zinc/63/51/95/387635195.db2.gz ZAVFACZNDLHJJS-JTQLQIEISA-N 1 2 239.319 1.981 20 0 BDADLO COCc1nc(C[N@H+]2CCCCC[C@@H]2C)no1 ZINC000356263496 387635198 /nfs/dbraw/zinc/63/51/98/387635198.db2.gz ZAVFACZNDLHJJS-JTQLQIEISA-N 1 2 239.319 1.981 20 0 BDADLO CCCn1cc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC000356288807 387637167 /nfs/dbraw/zinc/63/71/67/387637167.db2.gz WYGPVFYXFFZUDE-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO CCCn1cc(C[N@H+]2CCn3cncc3C2)cn1 ZINC000356288807 387637170 /nfs/dbraw/zinc/63/71/70/387637170.db2.gz WYGPVFYXFFZUDE-UHFFFAOYSA-N 1 2 245.330 1.505 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363188367 387695207 /nfs/dbraw/zinc/69/52/07/387695207.db2.gz JKTZLBNCIBXLNI-VXGBXAGGSA-N 1 2 240.347 1.156 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363188367 387695212 /nfs/dbraw/zinc/69/52/12/387695212.db2.gz JKTZLBNCIBXLNI-VXGBXAGGSA-N 1 2 240.347 1.156 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3cccnc3)[C@@H]12 ZINC000376549462 387649915 /nfs/dbraw/zinc/64/99/15/387649915.db2.gz YIAQCXZQUNBSID-NWDGAFQWSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3cccnc3)[C@@H]12 ZINC000376549462 387649918 /nfs/dbraw/zinc/64/99/18/387649918.db2.gz YIAQCXZQUNBSID-NWDGAFQWSA-N 1 2 232.283 1.219 20 0 BDADLO CC[C@H](NC(=O)CCCOC)c1[nH]cc[nH+]1 ZINC000125340583 387654891 /nfs/dbraw/zinc/65/48/91/387654891.db2.gz HKIJUAZSUPBRCB-VIFPVBQESA-N 1 2 225.292 1.404 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000356430139 387657431 /nfs/dbraw/zinc/65/74/31/387657431.db2.gz CSKIAKNORBMIDK-JTQLQIEISA-N 1 2 233.319 1.645 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000356430139 387657435 /nfs/dbraw/zinc/65/74/35/387657435.db2.gz CSKIAKNORBMIDK-JTQLQIEISA-N 1 2 233.319 1.645 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000356430139 387657439 /nfs/dbraw/zinc/65/74/39/387657439.db2.gz CSKIAKNORBMIDK-JTQLQIEISA-N 1 2 233.319 1.645 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000356430139 387657443 /nfs/dbraw/zinc/65/74/43/387657443.db2.gz CSKIAKNORBMIDK-JTQLQIEISA-N 1 2 233.319 1.645 20 0 BDADLO Cc1cc(NC(=O)[C@@](C)(O)C2CCC2)cc[nH+]1 ZINC000362797994 387660278 /nfs/dbraw/zinc/66/02/78/387660278.db2.gz OEDDSTORMYVQFG-ZDUSSCGKSA-N 1 2 234.299 1.302 20 0 BDADLO c1nc(CNCc2c[nH+]c3n2CCCC3)cs1 ZINC000376727052 387666289 /nfs/dbraw/zinc/66/62/89/387666289.db2.gz CGNACLXLUHWQLD-UHFFFAOYSA-N 1 2 248.355 1.966 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126095290 387673417 /nfs/dbraw/zinc/67/34/17/387673417.db2.gz JZPZLAHCBZYIRO-VIFPVBQESA-N 1 2 241.360 1.580 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000440704913 387675575 /nfs/dbraw/zinc/67/55/75/387675575.db2.gz XLIHARFZKYGPKN-DTWKUNHWSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000440704913 387675576 /nfs/dbraw/zinc/67/55/76/387675576.db2.gz XLIHARFZKYGPKN-DTWKUNHWSA-N 1 2 203.257 1.372 20 0 BDADLO CC1(C)CC[NH+](Cc2ncnn2CCF)CC1 ZINC000440707400 387675719 /nfs/dbraw/zinc/67/57/19/387675719.db2.gz WWKOHUOWRWVCTE-UHFFFAOYSA-N 1 2 240.326 1.870 20 0 BDADLO C[C@@H](Cc1cccs1)[NH2+]CC(F)(F)CN ZINC000643519965 387676180 /nfs/dbraw/zinc/67/61/80/387676180.db2.gz PNLRTOQCWBOUCQ-QMMMGPOBSA-N 1 2 234.315 1.863 20 0 BDADLO CCn1nncc1C[NH2+]Cc1ncc(C)s1 ZINC000527727742 387679232 /nfs/dbraw/zinc/67/92/32/387679232.db2.gz JRNOMIBUOYALFU-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCOC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000044416413 387679463 /nfs/dbraw/zinc/67/94/63/387679463.db2.gz IQIWTWFICIFUJL-MRVPVSSYSA-N 1 2 235.291 1.200 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000356606379 387681058 /nfs/dbraw/zinc/68/10/58/387681058.db2.gz ZACQZPMCFZDEHQ-RKDXNWHRSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000356606379 387681059 /nfs/dbraw/zinc/68/10/59/387681059.db2.gz ZACQZPMCFZDEHQ-RKDXNWHRSA-N 1 2 209.293 1.708 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000451954457 387686083 /nfs/dbraw/zinc/68/60/83/387686083.db2.gz NFHOLNPYUCQWFE-DTWKUNHWSA-N 1 2 224.308 1.521 20 0 BDADLO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000451954457 387686088 /nfs/dbraw/zinc/68/60/88/387686088.db2.gz NFHOLNPYUCQWFE-DTWKUNHWSA-N 1 2 224.308 1.521 20 0 BDADLO CC[C@@H](F)C[N@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000440773109 387686665 /nfs/dbraw/zinc/68/66/65/387686665.db2.gz WYIUHKSXSJSWSV-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000440773109 387686671 /nfs/dbraw/zinc/68/66/71/387686671.db2.gz WYIUHKSXSJSWSV-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@H](F)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000440770817 387689691 /nfs/dbraw/zinc/68/96/91/387689691.db2.gz LDQVBFKJGQMGMZ-NKWVEPMBSA-N 1 2 217.206 1.590 20 0 BDADLO CC[C@H](F)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000440770817 387689697 /nfs/dbraw/zinc/68/96/97/387689697.db2.gz LDQVBFKJGQMGMZ-NKWVEPMBSA-N 1 2 217.206 1.590 20 0 BDADLO C[C@H](F)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000356657038 387689956 /nfs/dbraw/zinc/68/99/56/387689956.db2.gz YPLCDQIKBXYFDR-QMMMGPOBSA-N 1 2 227.283 1.552 20 0 BDADLO CC[C@@H](F)C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000440771597 387690128 /nfs/dbraw/zinc/69/01/28/387690128.db2.gz CRUXQEWCVLBOTH-MWLCHTKSSA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@@H](F)C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000440771597 387690134 /nfs/dbraw/zinc/69/01/34/387690134.db2.gz CRUXQEWCVLBOTH-MWLCHTKSSA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@H](F)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000440770816 387690880 /nfs/dbraw/zinc/69/08/80/387690880.db2.gz LDQVBFKJGQMGMZ-BQBZGAKWSA-N 1 2 217.206 1.590 20 0 BDADLO CC[C@H](F)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000440770816 387690882 /nfs/dbraw/zinc/69/08/82/387690882.db2.gz LDQVBFKJGQMGMZ-BQBZGAKWSA-N 1 2 217.206 1.590 20 0 BDADLO FCCn1ncnc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377721350 387743310 /nfs/dbraw/zinc/74/33/10/387743310.db2.gz MLYLOEQWUYLGCZ-GHMZBOCLSA-N 1 2 238.310 1.622 20 0 BDADLO FCCn1ncnc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377721350 387743315 /nfs/dbraw/zinc/74/33/15/387743315.db2.gz MLYLOEQWUYLGCZ-GHMZBOCLSA-N 1 2 238.310 1.622 20 0 BDADLO CCCc1noc(C[N@H+](CC)CCCO)n1 ZINC000128479295 387747744 /nfs/dbraw/zinc/74/77/44/387747744.db2.gz SPSIJTJCGSLTEV-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCc1noc(C[N@@H+](CC)CCCO)n1 ZINC000128479295 387747753 /nfs/dbraw/zinc/74/77/53/387747753.db2.gz SPSIJTJCGSLTEV-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000441367153 387751527 /nfs/dbraw/zinc/75/15/27/387751527.db2.gz PJYPEQPPHACEKH-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000441367153 387751533 /nfs/dbraw/zinc/75/15/33/387751533.db2.gz PJYPEQPPHACEKH-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CCCCC[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000440779897 387697607 /nfs/dbraw/zinc/69/76/07/387697607.db2.gz FTPYLVMFLIBREF-LLVKDONJSA-N 1 2 237.351 1.755 20 0 BDADLO CCCCC[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000440779897 387697611 /nfs/dbraw/zinc/69/76/11/387697611.db2.gz FTPYLVMFLIBREF-LLVKDONJSA-N 1 2 237.351 1.755 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](F)CC ZINC000440790305 387699389 /nfs/dbraw/zinc/69/93/89/387699389.db2.gz KPIRMRUZLDCHDJ-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](F)CC ZINC000440790305 387699393 /nfs/dbraw/zinc/69/93/93/387699393.db2.gz KPIRMRUZLDCHDJ-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000377196826 387699555 /nfs/dbraw/zinc/69/95/55/387699555.db2.gz OINNUHIRGSDVHN-YUMQZZPRSA-N 1 2 225.317 1.154 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1c1nccs1 ZINC000377196826 387699560 /nfs/dbraw/zinc/69/95/60/387699560.db2.gz OINNUHIRGSDVHN-YUMQZZPRSA-N 1 2 225.317 1.154 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C)n1 ZINC000452035296 387704586 /nfs/dbraw/zinc/70/45/86/387704586.db2.gz ODBOVAZBOYJMKG-GHMZBOCLSA-N 1 2 239.319 1.815 20 0 BDADLO CO[C@H](C)C[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431412177 387707572 /nfs/dbraw/zinc/70/75/72/387707572.db2.gz DWXUUHMUFXTBTN-MRVPVSSYSA-N 1 2 237.278 1.581 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000452036200 387707977 /nfs/dbraw/zinc/70/79/77/387707977.db2.gz PHUGAMPDVYDQOJ-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO CC(C)CCc1noc(C[N@H+](C)CCCO)n1 ZINC000440945479 387713404 /nfs/dbraw/zinc/71/34/04/387713404.db2.gz BFGWUUOEJYTJAW-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO CC(C)CCc1noc(C[N@@H+](C)CCCO)n1 ZINC000440945479 387713408 /nfs/dbraw/zinc/71/34/08/387713408.db2.gz BFGWUUOEJYTJAW-UHFFFAOYSA-N 1 2 241.335 1.472 20 0 BDADLO O=C(COc1cc[nH+]cc1)NCC1CCC1 ZINC000431488079 387713911 /nfs/dbraw/zinc/71/39/11/387713911.db2.gz UUDLKVXQCCYKQL-UHFFFAOYSA-N 1 2 220.272 1.377 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000527792515 387716941 /nfs/dbraw/zinc/71/69/41/387716941.db2.gz ASIAYJPRZMNJMU-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO CCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486437 387719485 /nfs/dbraw/zinc/71/94/85/387719485.db2.gz UTRNQCBCLSLPHK-SECBINFHSA-N 1 2 224.308 1.490 20 0 BDADLO CCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486437 387719496 /nfs/dbraw/zinc/71/94/96/387719496.db2.gz UTRNQCBCLSLPHK-SECBINFHSA-N 1 2 224.308 1.490 20 0 BDADLO Cc1nc(N2CC[C@@](O)(C3CC3)C2)c(C)c(C)[nH+]1 ZINC000377472279 387720751 /nfs/dbraw/zinc/72/07/51/387720751.db2.gz YJVIMPSLTWUWQD-AWEZNQCLSA-N 1 2 247.342 1.753 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1c(C)noc1C ZINC000115573465 387723805 /nfs/dbraw/zinc/72/38/05/387723805.db2.gz RNFSHCMKXPGHMV-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1c(C)noc1C ZINC000115573465 387723808 /nfs/dbraw/zinc/72/38/08/387723808.db2.gz RNFSHCMKXPGHMV-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1cnn(CC[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000377568290 387729316 /nfs/dbraw/zinc/72/93/16/387729316.db2.gz QGSHMQBCNYOGLN-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cnn(CC[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000377568290 387729322 /nfs/dbraw/zinc/72/93/22/387729322.db2.gz QGSHMQBCNYOGLN-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO C[C@@H]([NH3+])CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000422789569 387730768 /nfs/dbraw/zinc/73/07/68/387730768.db2.gz UFGJIUKFYKYHOS-ZCFIWIBFSA-N 1 2 244.241 1.138 20 0 BDADLO CCc1nc(C(C)(C)NCc2[nH]cc[nH+]2)no1 ZINC000441199786 387734708 /nfs/dbraw/zinc/73/47/08/387734708.db2.gz CVPKHXUIUAZUIL-UHFFFAOYSA-N 1 2 235.291 1.380 20 0 BDADLO Cc1ccc(NCc2[nH]cc[nH+]2)cc1C(N)=O ZINC000129411236 387769513 /nfs/dbraw/zinc/76/95/13/387769513.db2.gz IEIMPPKQUWXKEE-UHFFFAOYSA-N 1 2 230.271 1.429 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@@H]1CCCOC1 ZINC000527882412 387771876 /nfs/dbraw/zinc/77/18/76/387771876.db2.gz FKIKVEVOSCXXPS-NSHDSACASA-N 1 2 236.315 1.953 20 0 BDADLO c1cn(CCN2CCC[C@H]2c2ncon2)c[nH+]1 ZINC000378326999 387774161 /nfs/dbraw/zinc/77/41/61/387774161.db2.gz BHXZHNDWHSVHHO-JTQLQIEISA-N 1 2 233.275 1.103 20 0 BDADLO CNC(=O)[C@H]1CCC[C@H]1Nc1[nH+]cccc1OC ZINC000527944555 387781233 /nfs/dbraw/zinc/78/12/33/387781233.db2.gz NVPZBVUERSOARH-VHSXEESVSA-N 1 2 249.314 1.417 20 0 BDADLO CC[C@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000527945372 387781344 /nfs/dbraw/zinc/78/13/44/387781344.db2.gz BSTLVCNADNYUAO-JTQLQIEISA-N 1 2 247.346 1.631 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@@H](C(C)C)C1 ZINC000527952255 387782771 /nfs/dbraw/zinc/78/27/71/387782771.db2.gz FBDYACVWAXTRNJ-GFCCVEGCSA-N 1 2 236.315 1.951 20 0 BDADLO O=C(C1CC(=O)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378487618 387787174 /nfs/dbraw/zinc/78/71/74/387787174.db2.gz IOYYJTIBWYQUBL-UHFFFAOYSA-N 1 2 247.298 1.095 20 0 BDADLO O=C(C1CC(=O)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378487618 387787177 /nfs/dbraw/zinc/78/71/77/387787177.db2.gz IOYYJTIBWYQUBL-UHFFFAOYSA-N 1 2 247.298 1.095 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1nccs1 ZINC000527921097 387790191 /nfs/dbraw/zinc/79/01/91/387790191.db2.gz UGCBQGFZIZEELC-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccno2)cnn1C ZINC000564039941 387807441 /nfs/dbraw/zinc/80/74/41/387807441.db2.gz UFQXYXJNINTASK-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccno2)cnn1C ZINC000564039941 387807446 /nfs/dbraw/zinc/80/74/46/387807446.db2.gz UFQXYXJNINTASK-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cncc(C)c1 ZINC000442688248 387821435 /nfs/dbraw/zinc/82/14/35/387821435.db2.gz CPUNVIMQEDIIKC-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cncc(C)c1 ZINC000442688248 387821437 /nfs/dbraw/zinc/82/14/37/387821437.db2.gz CPUNVIMQEDIIKC-NSHDSACASA-N 1 2 236.315 1.773 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@](F)(CO)C1 ZINC000528009023 387823394 /nfs/dbraw/zinc/82/33/94/387823394.db2.gz LMSJUHFJSCHVNF-NSHDSACASA-N 1 2 226.251 1.001 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccccn1 ZINC000054459194 387826675 /nfs/dbraw/zinc/82/66/75/387826675.db2.gz JRRDHNZZAGUQBN-SNVBAGLBSA-N 1 2 214.272 1.722 20 0 BDADLO COc1ccc[nH+]c1N(C)CCc1noc(C)n1 ZINC000528019414 387826735 /nfs/dbraw/zinc/82/67/35/387826735.db2.gz WAKZEHPHMHPIRE-UHFFFAOYSA-N 1 2 248.286 1.461 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633206300 387829965 /nfs/dbraw/zinc/82/99/65/387829965.db2.gz FVEPEZQDDDQIBP-RKDXNWHRSA-N 1 2 222.292 1.350 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000648529749 387832137 /nfs/dbraw/zinc/83/21/37/387832137.db2.gz AINOHEMALPJBAU-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cnccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000648529749 387832143 /nfs/dbraw/zinc/83/21/43/387832143.db2.gz AINOHEMALPJBAU-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](CCCO)C1 ZINC000528032556 387833240 /nfs/dbraw/zinc/83/32/40/387833240.db2.gz CGETYFRPUMMZAI-LLVKDONJSA-N 1 2 236.315 1.689 20 0 BDADLO C[C@H]1CN(c2[nH+]ccc3ccccc32)CC(=O)N1 ZINC000528030450 387833886 /nfs/dbraw/zinc/83/38/86/387833886.db2.gz XKSDBTFJDWNVIA-JTQLQIEISA-N 1 2 241.294 1.560 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](OC)[C@H](C)C1 ZINC000528030720 387833947 /nfs/dbraw/zinc/83/39/47/387833947.db2.gz LJBNTHREZUCGFB-GHMZBOCLSA-N 1 2 236.315 1.951 20 0 BDADLO CCC(=O)N1CCN(c2cc(C)[nH+]c(CC)n2)C1 ZINC000425279291 387836149 /nfs/dbraw/zinc/83/61/49/387836149.db2.gz UNFMXWKRANZDOU-UHFFFAOYSA-N 1 2 248.330 1.364 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H](CC)COC)C(=O)OCC ZINC000432891445 387837967 /nfs/dbraw/zinc/83/79/67/387837967.db2.gz TUWDVHRXONIDSY-MCTUQULKSA-N 1 2 243.347 1.899 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](C[C@H](C)O)C2 ZINC000058011782 387840447 /nfs/dbraw/zinc/84/04/47/387840447.db2.gz PLJWMTDENOJEKD-VIFPVBQESA-N 1 2 219.284 1.586 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](C)O)C2 ZINC000058011782 387840452 /nfs/dbraw/zinc/84/04/52/387840452.db2.gz PLJWMTDENOJEKD-VIFPVBQESA-N 1 2 219.284 1.586 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000432935766 387843948 /nfs/dbraw/zinc/84/39/48/387843948.db2.gz FKVINCPVIGDTCF-JTQLQIEISA-N 1 2 231.336 1.277 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000432935766 387843954 /nfs/dbraw/zinc/84/39/54/387843954.db2.gz FKVINCPVIGDTCF-JTQLQIEISA-N 1 2 231.336 1.277 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2CC=CC2)[nH+]cn1 ZINC000528115221 387848446 /nfs/dbraw/zinc/84/84/46/387848446.db2.gz PMJACEJGFUBBPK-SNVBAGLBSA-N 1 2 248.330 1.069 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2CC=CC2)nc[nH+]1 ZINC000528115221 387848451 /nfs/dbraw/zinc/84/84/51/387848451.db2.gz PMJACEJGFUBBPK-SNVBAGLBSA-N 1 2 248.330 1.069 20 0 BDADLO Cc1cocc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000528160751 387859205 /nfs/dbraw/zinc/85/92/05/387859205.db2.gz WKUGLHMRHAJYBN-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cnccc1C ZINC000452571845 387862203 /nfs/dbraw/zinc/86/22/03/387862203.db2.gz QDLXJIWPFKLHOF-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)ccn1 ZINC000235828648 387864449 /nfs/dbraw/zinc/86/44/49/387864449.db2.gz MIOWZRJRYXSHSZ-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)ccn1 ZINC000235828648 387864452 /nfs/dbraw/zinc/86/44/52/387864452.db2.gz MIOWZRJRYXSHSZ-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO FC(F)c1nccnc1NCCn1cc[nH+]c1 ZINC000288180748 387866294 /nfs/dbraw/zinc/86/62/94/387866294.db2.gz RCEIUUKFWCKZEU-UHFFFAOYSA-N 1 2 239.229 1.723 20 0 BDADLO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc2nn[nH]c2c1 ZINC000433145062 387871991 /nfs/dbraw/zinc/87/19/91/387871991.db2.gz FOQGPTFHZIDUIQ-SECBINFHSA-N 1 2 247.302 1.127 20 0 BDADLO C/C(Cl)=C\C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000528340489 387894644 /nfs/dbraw/zinc/89/46/44/387894644.db2.gz TUQGHTNOEQQRLJ-ONNFQVAWSA-N 1 2 245.754 1.428 20 0 BDADLO c1nc(N2CCCC2)cc(NCC2COC2)[nH+]1 ZINC000528226190 387881895 /nfs/dbraw/zinc/88/18/95/387881895.db2.gz PJLUXWFWVSTABH-UHFFFAOYSA-N 1 2 234.303 1.135 20 0 BDADLO c1nc(NCC2COC2)cc(N2CCCC2)[nH+]1 ZINC000528226190 387881898 /nfs/dbraw/zinc/88/18/98/387881898.db2.gz PJLUXWFWVSTABH-UHFFFAOYSA-N 1 2 234.303 1.135 20 0 BDADLO CC(C)CN1CC[N@H+](CC2=CCCC2)CC1=O ZINC000645861917 387883349 /nfs/dbraw/zinc/88/33/49/387883349.db2.gz DPSIPCVOSXIGCY-UHFFFAOYSA-N 1 2 236.359 1.897 20 0 BDADLO CC(C)CN1CC[N@@H+](CC2=CCCC2)CC1=O ZINC000645861917 387883351 /nfs/dbraw/zinc/88/33/51/387883351.db2.gz DPSIPCVOSXIGCY-UHFFFAOYSA-N 1 2 236.359 1.897 20 0 BDADLO COc1ccc[nH+]c1NCc1ncnn1C(C)C ZINC000631105953 387884557 /nfs/dbraw/zinc/88/45/57/387884557.db2.gz XSNCQUQSXZDHFI-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706767 387914337 /nfs/dbraw/zinc/91/43/37/387914337.db2.gz MWRXXTCUEJBOOJ-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706767 387914341 /nfs/dbraw/zinc/91/43/41/387914341.db2.gz MWRXXTCUEJBOOJ-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cn1 ZINC000438383354 387933077 /nfs/dbraw/zinc/93/30/77/387933077.db2.gz QXYBVFUWICIZNX-SRVKXCTJSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cn1 ZINC000438383354 387933080 /nfs/dbraw/zinc/93/30/80/387933080.db2.gz QXYBVFUWICIZNX-SRVKXCTJSA-N 1 2 235.331 1.783 20 0 BDADLO CC(C)[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000444768012 387925450 /nfs/dbraw/zinc/92/54/50/387925450.db2.gz BMTFRAHGUCTYKX-VIFPVBQESA-N 1 2 224.308 1.378 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000444768012 387925455 /nfs/dbraw/zinc/92/54/55/387925455.db2.gz BMTFRAHGUCTYKX-VIFPVBQESA-N 1 2 224.308 1.378 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245533465 387955932 /nfs/dbraw/zinc/95/59/32/387955932.db2.gz ITASPLXMGVVIHL-VXGBXAGGSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245533465 387955933 /nfs/dbraw/zinc/95/59/33/387955933.db2.gz ITASPLXMGVVIHL-VXGBXAGGSA-N 1 2 249.358 1.989 20 0 BDADLO CN(C)c1nc(C[N@H+](C)CC2CC2)ns1 ZINC000156232174 387944202 /nfs/dbraw/zinc/94/42/02/387944202.db2.gz FUJIKIAKOZZWFX-UHFFFAOYSA-N 1 2 226.349 1.446 20 0 BDADLO CN(C)c1nc(C[N@@H+](C)CC2CC2)ns1 ZINC000156232174 387944206 /nfs/dbraw/zinc/94/42/06/387944206.db2.gz FUJIKIAKOZZWFX-UHFFFAOYSA-N 1 2 226.349 1.446 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC000424306151 387961651 /nfs/dbraw/zinc/96/16/51/387961651.db2.gz HABDJGSYBKVJOI-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000245765269 387981545 /nfs/dbraw/zinc/98/15/45/387981545.db2.gz QRYQWHKSWNDOIM-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000245765269 387981550 /nfs/dbraw/zinc/98/15/50/387981550.db2.gz QRYQWHKSWNDOIM-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO COCCC[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000438992808 387972512 /nfs/dbraw/zinc/97/25/12/387972512.db2.gz TYCIWDCZYSBFSE-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO COCCC[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000438992808 387972514 /nfs/dbraw/zinc/97/25/14/387972514.db2.gz TYCIWDCZYSBFSE-MRVPVSSYSA-N 1 2 213.281 1.407 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446072451 387994180 /nfs/dbraw/zinc/99/41/80/387994180.db2.gz MMKHDCCFONSCSB-DCAQKATOSA-N 1 2 228.336 1.010 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446072451 387994185 /nfs/dbraw/zinc/99/41/85/387994185.db2.gz MMKHDCCFONSCSB-DCAQKATOSA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000245936192 387995627 /nfs/dbraw/zinc/99/56/27/387995627.db2.gz ZLQFKNNUQLNWBJ-IUCAKERBSA-N 1 2 227.308 1.567 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000245936192 387995631 /nfs/dbraw/zinc/99/56/31/387995631.db2.gz ZLQFKNNUQLNWBJ-IUCAKERBSA-N 1 2 227.308 1.567 20 0 BDADLO O[C@H]1C[N@H+](CCC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000645886596 387982604 /nfs/dbraw/zinc/98/26/04/387982604.db2.gz XLYMJENYEWOCTC-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1C[N@@H+](CCC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000645886596 387982608 /nfs/dbraw/zinc/98/26/08/387982608.db2.gz XLYMJENYEWOCTC-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)C[C@H](C)O ZINC000245790752 387985033 /nfs/dbraw/zinc/98/50/33/387985033.db2.gz NTCKOLAWBNSGGJ-JGVFFNPUSA-N 1 2 225.292 1.321 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)C[C@H](C)O ZINC000245790752 387985035 /nfs/dbraw/zinc/98/50/35/387985035.db2.gz NTCKOLAWBNSGGJ-JGVFFNPUSA-N 1 2 225.292 1.321 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245860037 387986947 /nfs/dbraw/zinc/98/69/47/387986947.db2.gz KPTNLWYLAMXLTR-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000245860037 387986951 /nfs/dbraw/zinc/98/69/51/387986951.db2.gz KPTNLWYLAMXLTR-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)[C@@H](C)O1 ZINC000446077917 387997320 /nfs/dbraw/zinc/99/73/20/387997320.db2.gz GHUOJQFSCBEIQV-OUAUKWLOSA-N 1 2 240.347 1.105 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)[C@@H](C)O1 ZINC000446077917 387997323 /nfs/dbraw/zinc/99/73/23/387997323.db2.gz GHUOJQFSCBEIQV-OUAUKWLOSA-N 1 2 240.347 1.105 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)no1 ZINC000446083385 387997915 /nfs/dbraw/zinc/99/79/15/387997915.db2.gz RGEFGUSVGVGDCJ-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)no1 ZINC000446083385 387997917 /nfs/dbraw/zinc/99/79/17/387997917.db2.gz RGEFGUSVGVGDCJ-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423219765 387999131 /nfs/dbraw/zinc/99/91/31/387999131.db2.gz XJCPBCBSRIHSRB-WPRPVWTQSA-N 1 2 241.360 1.551 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000309679415 388011155 /nfs/dbraw/zinc/01/11/55/388011155.db2.gz ZCABRYXZPYILLV-NSHDSACASA-N 1 2 229.320 1.080 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(=O)c2sccc21 ZINC000439560519 388009658 /nfs/dbraw/zinc/00/96/58/388009658.db2.gz JVHRUDNEXCQFTD-UHFFFAOYSA-N 1 2 245.307 1.845 20 0 BDADLO C[C@H]1OCC[N@H+](CCOCC(F)(F)F)[C@@H]1C ZINC000156537715 387996353 /nfs/dbraw/zinc/99/63/53/387996353.db2.gz YXWSFKKLBNJADR-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H]1OCC[N@@H+](CCOCC(F)(F)F)[C@@H]1C ZINC000156537715 387996357 /nfs/dbraw/zinc/99/63/57/387996357.db2.gz YXWSFKKLBNJADR-RKDXNWHRSA-N 1 2 241.253 1.675 20 0 BDADLO C[N@H+](CCO)Cc1c(F)cccc1F ZINC000159166955 387996671 /nfs/dbraw/zinc/99/66/71/387996671.db2.gz CZJWWEAURMCYFI-UHFFFAOYSA-N 1 2 201.216 1.389 20 0 BDADLO C[N@@H+](CCO)Cc1c(F)cccc1F ZINC000159166955 387996675 /nfs/dbraw/zinc/99/66/75/387996675.db2.gz CZJWWEAURMCYFI-UHFFFAOYSA-N 1 2 201.216 1.389 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000440270113 388037579 /nfs/dbraw/zinc/03/75/79/388037579.db2.gz SEMHROXYJTXBEM-UTUOFQBUSA-N 1 2 247.342 1.560 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCc3ncsc3C2)cn1 ZINC000446794821 388039404 /nfs/dbraw/zinc/03/94/04/388039404.db2.gz FAVNACCUESXLFU-UHFFFAOYSA-N 1 2 246.339 1.998 20 0 BDADLO C=Cn1cc(C[N@H+]2CCc3ncsc3C2)cn1 ZINC000446794821 388039408 /nfs/dbraw/zinc/03/94/08/388039408.db2.gz FAVNACCUESXLFU-UHFFFAOYSA-N 1 2 246.339 1.998 20 0 BDADLO Cc1cc(NCCc2cnn(C)c2)nc[nH+]1 ZINC000082687808 388040323 /nfs/dbraw/zinc/04/03/23/388040323.db2.gz YOEYHLXSJGHDBB-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000082345975 388030819 /nfs/dbraw/zinc/03/08/19/388030819.db2.gz NKVYMLHIDYRRNR-UHFFFAOYSA-N 1 2 237.284 1.244 20 0 BDADLO Cc1cc(NCc2[nH]cc[nH+]2)cc(OCCO)c1 ZINC000447072361 388051600 /nfs/dbraw/zinc/05/16/00/388051600.db2.gz JJONNFONTIDCQK-UHFFFAOYSA-N 1 2 247.298 1.701 20 0 BDADLO COCC[C@]1([NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000447093110 388053505 /nfs/dbraw/zinc/05/35/05/388053505.db2.gz GZPUKLJSIQFIEK-LBPRGKRZSA-N 1 2 239.319 1.003 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)n1 ZINC000440664455 388065214 /nfs/dbraw/zinc/06/52/14/388065214.db2.gz PQHYXANSWLZJSM-NSHDSACASA-N 1 2 235.331 1.299 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C)n1 ZINC000440664455 388065217 /nfs/dbraw/zinc/06/52/17/388065217.db2.gz PQHYXANSWLZJSM-NSHDSACASA-N 1 2 235.331 1.299 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1ncnn1C ZINC000453412999 388077189 /nfs/dbraw/zinc/07/71/89/388077189.db2.gz GXTZJMQFDHZZCV-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1ncnn1C ZINC000453412999 388077192 /nfs/dbraw/zinc/07/71/92/388077192.db2.gz GXTZJMQFDHZZCV-LLVKDONJSA-N 1 2 238.335 1.206 20 0 BDADLO c1c[nH]c([C@@H]([NH2+][C@H]2CCOC2)c2ccccn2)n1 ZINC000447574791 388079378 /nfs/dbraw/zinc/07/93/78/388079378.db2.gz OMYRRGHBVWRZMM-JQWIXIFHSA-N 1 2 244.298 1.273 20 0 BDADLO c1c[nH+]c([C@@H](N[C@H]2CCOC2)c2ccccn2)[nH]1 ZINC000447574791 388079380 /nfs/dbraw/zinc/07/93/80/388079380.db2.gz OMYRRGHBVWRZMM-JQWIXIFHSA-N 1 2 244.298 1.273 20 0 BDADLO OC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000085184610 388084352 /nfs/dbraw/zinc/08/43/52/388084352.db2.gz FVBLZNNYYRLDAO-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO CCC1C[NH+](Cc2ccoc2C(=O)OC)C1 ZINC000453607304 388091066 /nfs/dbraw/zinc/09/10/66/388091066.db2.gz SCXPDLYVDKLJRB-UHFFFAOYSA-N 1 2 223.272 1.908 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447846113 388097923 /nfs/dbraw/zinc/09/79/23/388097923.db2.gz XHAXENKIGANOTI-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447846113 388097925 /nfs/dbraw/zinc/09/79/25/388097925.db2.gz XHAXENKIGANOTI-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1nc(N[C@H](C(C)C)C2CC2)nc(N)[nH+]1 ZINC000324071652 388101588 /nfs/dbraw/zinc/10/15/88/388101588.db2.gz KCBUDMMPYCTFBZ-SECBINFHSA-N 1 2 221.308 1.609 20 0 BDADLO Cc1nc(N)nc(N[C@H](C(C)C)C2CC2)[nH+]1 ZINC000324071652 388101591 /nfs/dbraw/zinc/10/15/91/388101591.db2.gz KCBUDMMPYCTFBZ-SECBINFHSA-N 1 2 221.308 1.609 20 0 BDADLO Cc1cnc([C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCO2)o1 ZINC000447919322 388103336 /nfs/dbraw/zinc/10/33/36/388103336.db2.gz DSGJFZIPYYQOIC-DCAQKATOSA-N 1 2 240.303 1.174 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC1CC1 ZINC000454210607 388108606 /nfs/dbraw/zinc/10/86/06/388108606.db2.gz ZTGOGKQVBPKNSE-SECBINFHSA-N 1 2 236.319 1.673 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000086927199 388111535 /nfs/dbraw/zinc/11/15/35/388111535.db2.gz YMBXWDUWRRRRQX-SECBINFHSA-N 1 2 229.320 1.485 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](F)CC ZINC000440509423 388046530 /nfs/dbraw/zinc/04/65/30/388046530.db2.gz JIBAFDUBEHNEHX-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](F)CC ZINC000440509423 388046534 /nfs/dbraw/zinc/04/65/34/388046534.db2.gz JIBAFDUBEHNEHX-VHSXEESVSA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000164145487 388161391 /nfs/dbraw/zinc/16/13/91/388161391.db2.gz UKGRSJIZELQIKT-SNVBAGLBSA-N 1 2 211.309 1.296 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(F)c[nH]1 ZINC000646244320 388170008 /nfs/dbraw/zinc/17/00/08/388170008.db2.gz OXVACSWHIABGNA-SECBINFHSA-N 1 2 248.261 1.095 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1CF ZINC000449343895 388176835 /nfs/dbraw/zinc/17/68/35/388176835.db2.gz OAFXEPQZOCUUIK-JTQLQIEISA-N 1 2 226.299 1.540 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1CF ZINC000449343895 388176836 /nfs/dbraw/zinc/17/68/36/388176836.db2.gz OAFXEPQZOCUUIK-JTQLQIEISA-N 1 2 226.299 1.540 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000456113532 388178805 /nfs/dbraw/zinc/17/88/05/388178805.db2.gz GWMUYYMVUJZIAC-ZJUUUORDSA-N 1 2 235.331 1.850 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)C(F)F ZINC000449356586 388180807 /nfs/dbraw/zinc/18/08/07/388180807.db2.gz AJEUHEQHGMDABS-SECBINFHSA-N 1 2 244.289 1.676 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1ncc(Cl)s1 ZINC000449376368 388183866 /nfs/dbraw/zinc/18/38/66/388183866.db2.gz MVGFVMXNYBUDIA-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000449376368 388183868 /nfs/dbraw/zinc/18/38/68/388183868.db2.gz MVGFVMXNYBUDIA-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[N@H+](CCC(C)(C)C)Cc1n[nH]c(=O)[nH]1 ZINC000646028626 388127950 /nfs/dbraw/zinc/12/79/50/388127950.db2.gz LLHGTADKSUDIQR-UHFFFAOYSA-N 1 2 212.297 1.378 20 0 BDADLO C[N@@H+](CCC(C)(C)C)Cc1n[nH]c(=O)[nH]1 ZINC000646028626 388127951 /nfs/dbraw/zinc/12/79/51/388127951.db2.gz LLHGTADKSUDIQR-UHFFFAOYSA-N 1 2 212.297 1.378 20 0 BDADLO C[C@H]1CC=C(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000454708074 388130896 /nfs/dbraw/zinc/13/08/96/388130896.db2.gz MBTDFEVZDRFGHS-NSHDSACASA-N 1 2 233.315 1.746 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2nnc[nH]2)c1 ZINC000449026700 388131522 /nfs/dbraw/zinc/13/15/22/388131522.db2.gz GLCOIICDGZRCNF-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2nnc[nH]2)c1 ZINC000449026700 388131526 /nfs/dbraw/zinc/13/15/26/388131526.db2.gz GLCOIICDGZRCNF-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO COc1nccc(C[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000449042897 388135270 /nfs/dbraw/zinc/13/52/70/388135270.db2.gz UYTRALYJQHPNET-NSHDSACASA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccc(C[N@H+]2CC[C@](C)(F)C2)n1 ZINC000449042897 388135272 /nfs/dbraw/zinc/13/52/72/388135272.db2.gz UYTRALYJQHPNET-NSHDSACASA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccnc1C[NH2+]Cc1ccsc1 ZINC000449060141 388136551 /nfs/dbraw/zinc/13/65/51/388136551.db2.gz RHNHSNFRXXGVQN-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO Cc1cc(C)c(CNC(=O)NCCF)c[nH+]1 ZINC000454910686 388139675 /nfs/dbraw/zinc/13/96/75/388139675.db2.gz XJDPDNCZBOMYAI-UHFFFAOYSA-N 1 2 225.267 1.467 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)C(=O)OC(C)C)n1C ZINC000449665433 388250623 /nfs/dbraw/zinc/25/06/23/388250623.db2.gz QUEUQBUGAWWWHY-JTQLQIEISA-N 1 2 239.319 1.158 20 0 BDADLO CC1=CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000166226072 388254574 /nfs/dbraw/zinc/25/45/74/388254574.db2.gz WZLFFXHXXXGEEM-UHFFFAOYSA-N 1 2 204.273 1.730 20 0 BDADLO COc1ccc(C[NH2+]C(CF)CF)cn1 ZINC000449382791 388190049 /nfs/dbraw/zinc/19/00/49/388190049.db2.gz YRGOERFXJQSAEA-UHFFFAOYSA-N 1 2 216.231 1.487 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000449417075 388199853 /nfs/dbraw/zinc/19/98/53/388199853.db2.gz WTKFIDHZBDEDKK-ZETCQYMHSA-N 1 2 215.247 1.918 20 0 BDADLO CC[N@H+](Cc1ccc(C(=O)OC)o1)C1COC1 ZINC000449427313 388202544 /nfs/dbraw/zinc/20/25/44/388202544.db2.gz RQYWUOMJDSMGED-UHFFFAOYSA-N 1 2 239.271 1.287 20 0 BDADLO CC[N@@H+](Cc1ccc(C(=O)OC)o1)C1COC1 ZINC000449427313 388202546 /nfs/dbraw/zinc/20/25/46/388202546.db2.gz RQYWUOMJDSMGED-UHFFFAOYSA-N 1 2 239.271 1.287 20 0 BDADLO Cc1cc(C)c(CNC(=O)COCC2CC2)c[nH+]1 ZINC000456863539 388228148 /nfs/dbraw/zinc/22/81/48/388228148.db2.gz REARLBGKMMSNMX-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000489946410 388229351 /nfs/dbraw/zinc/22/93/51/388229351.db2.gz LSTAGJBPKWFZST-KOLCDFICSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000489946410 388229353 /nfs/dbraw/zinc/22/93/53/388229353.db2.gz LSTAGJBPKWFZST-KOLCDFICSA-N 1 2 249.362 1.871 20 0 BDADLO CCn1nncc1C[N@H+](CC)Cc1ccncc1 ZINC000459376780 388243011 /nfs/dbraw/zinc/24/30/11/388243011.db2.gz SFRDCNYFXKAPSC-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO CCn1nncc1C[N@@H+](CC)Cc1ccncc1 ZINC000459376780 388243013 /nfs/dbraw/zinc/24/30/13/388243013.db2.gz SFRDCNYFXKAPSC-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO CCn1cc[nH+]c1CN(CC(F)F)C[C@H](C)O ZINC000449633233 388244403 /nfs/dbraw/zinc/24/44/03/388244403.db2.gz TXTDCGLZIROZQU-VIFPVBQESA-N 1 2 247.289 1.351 20 0 BDADLO CCOC1C[NH+](Cc2cccnc2C)C1 ZINC000459577291 388246644 /nfs/dbraw/zinc/24/66/44/388246644.db2.gz BISKOOWDDHUNOS-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO COCC(C)(C)C[N@@H+](CC(F)F)C[C@H](C)O ZINC000449634759 388246957 /nfs/dbraw/zinc/24/69/57/388246957.db2.gz WNAJYYPIGOLXPJ-VIFPVBQESA-N 1 2 239.306 1.607 20 0 BDADLO COCC(C)(C)C[N@H+](CC(F)F)C[C@H](C)O ZINC000449634759 388246958 /nfs/dbraw/zinc/24/69/58/388246958.db2.gz WNAJYYPIGOLXPJ-VIFPVBQESA-N 1 2 239.306 1.607 20 0 BDADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451586577 388283171 /nfs/dbraw/zinc/28/31/71/388283171.db2.gz GOYOLKCZYVNFQY-QWRGUYRKSA-N 1 2 231.336 1.323 20 0 BDADLO COC(C)(C)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451824935 388298861 /nfs/dbraw/zinc/29/88/61/388298861.db2.gz CNJDOFFIMREICI-VIFPVBQESA-N 1 2 239.306 1.749 20 0 BDADLO COC(C)(C)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000451824935 388298863 /nfs/dbraw/zinc/29/88/63/388298863.db2.gz CNJDOFFIMREICI-VIFPVBQESA-N 1 2 239.306 1.749 20 0 BDADLO COC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000491121974 388270981 /nfs/dbraw/zinc/27/09/81/388270981.db2.gz NUCWCXSTSXTJCE-UHFFFAOYSA-N 1 2 249.314 1.008 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC1(C)CC1 ZINC000492413600 388343984 /nfs/dbraw/zinc/34/39/84/388343984.db2.gz XYGBHQYWMVVEFF-SNAWJCMRSA-N 1 2 233.315 1.833 20 0 BDADLO Nc1[nH+]cnc(NCc2cc[nH]n2)c1Cl ZINC000236392726 388379755 /nfs/dbraw/zinc/37/97/55/388379755.db2.gz YMIGIOPSAVPMPL-UHFFFAOYSA-N 1 2 224.655 1.047 20 0 BDADLO Nc1nc[nH+]c(NCc2cc[nH]n2)c1Cl ZINC000236392726 388379758 /nfs/dbraw/zinc/37/97/58/388379758.db2.gz YMIGIOPSAVPMPL-UHFFFAOYSA-N 1 2 224.655 1.047 20 0 BDADLO CCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000646561467 388382835 /nfs/dbraw/zinc/38/28/35/388382835.db2.gz VFKHWQJQOQALNE-LLVKDONJSA-N 1 2 235.331 1.752 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000163599700 388382968 /nfs/dbraw/zinc/38/29/68/388382968.db2.gz SDMRJQXYTKBADD-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000163599700 388382970 /nfs/dbraw/zinc/38/29/70/388382970.db2.gz SDMRJQXYTKBADD-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000236934777 388386732 /nfs/dbraw/zinc/38/67/32/388386732.db2.gz GEIHVVUUPCIYIU-YGOYTEALSA-N 1 2 228.336 1.044 20 0 BDADLO COc1ncccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000293860363 388392739 /nfs/dbraw/zinc/39/27/39/388392739.db2.gz DGUYSUYHJSQWKK-LLVKDONJSA-N 1 2 244.298 1.521 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1nc(C)cs1 ZINC000573013422 388406575 /nfs/dbraw/zinc/40/65/75/388406575.db2.gz MCPWZKLLOGHNEQ-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1nc(C)cs1 ZINC000573013422 388406577 /nfs/dbraw/zinc/40/65/77/388406577.db2.gz MCPWZKLLOGHNEQ-UHFFFAOYSA-N 1 2 227.333 1.019 20 0 BDADLO COc1cc(C[NH2+][C@H]2CCn3ccnc32)ccn1 ZINC000294133876 388395612 /nfs/dbraw/zinc/39/56/12/388395612.db2.gz OSGRFPXCXMKNNI-NSHDSACASA-N 1 2 244.298 1.521 20 0 BDADLO CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572964774 388400220 /nfs/dbraw/zinc/40/02/20/388400220.db2.gz YPBJZCAPNSJKEL-ZJUUUORDSA-N 1 2 209.293 1.749 20 0 BDADLO CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572964772 388400223 /nfs/dbraw/zinc/40/02/23/388400223.db2.gz YPBJZCAPNSJKEL-UWVGGRQHSA-N 1 2 209.293 1.749 20 0 BDADLO CO[C@H](C)CCC(=O)NCc1[nH]c[nH+]c1C ZINC000330793903 388444618 /nfs/dbraw/zinc/44/46/18/388444618.db2.gz CSVMCPAHFCXTAB-MRVPVSSYSA-N 1 2 225.292 1.149 20 0 BDADLO CCC[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528365198 388450568 /nfs/dbraw/zinc/45/05/68/388450568.db2.gz PSZZVILFEZSUNT-UHFFFAOYSA-N 1 2 231.317 1.525 20 0 BDADLO CCC[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528365198 388450570 /nfs/dbraw/zinc/45/05/70/388450570.db2.gz PSZZVILFEZSUNT-UHFFFAOYSA-N 1 2 231.317 1.525 20 0 BDADLO COCC[N@H+](Cc1ccnn1C)CC1(F)CC1 ZINC000526001813 388454195 /nfs/dbraw/zinc/45/41/95/388454195.db2.gz KCULEICSCMFBMZ-UHFFFAOYSA-N 1 2 241.310 1.371 20 0 BDADLO COCC[N@@H+](Cc1ccnn1C)CC1(F)CC1 ZINC000526001813 388454197 /nfs/dbraw/zinc/45/41/97/388454197.db2.gz KCULEICSCMFBMZ-UHFFFAOYSA-N 1 2 241.310 1.371 20 0 BDADLO OCc1ccc(C[NH2+]Cc2ncccc2F)o1 ZINC000525998706 388454267 /nfs/dbraw/zinc/45/42/67/388454267.db2.gz SMDWYFBPDGJDSU-UHFFFAOYSA-N 1 2 236.246 1.596 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649218681 388459457 /nfs/dbraw/zinc/45/94/57/388459457.db2.gz XIAPFZXOLCNRKO-MXWKQRLJSA-N 1 2 233.315 1.455 20 0 BDADLO Cc1cc(NC(=O)c2cccn2C)cc[nH+]1 ZINC000073053763 388460975 /nfs/dbraw/zinc/46/09/75/388460975.db2.gz BLBCNFMTUPFBRH-UHFFFAOYSA-N 1 2 215.256 1.981 20 0 BDADLO Cc1cccc(CCC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070989859 388461057 /nfs/dbraw/zinc/46/10/57/388461057.db2.gz SKERNBMREZUBQT-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000515468746 388464898 /nfs/dbraw/zinc/46/48/98/388464898.db2.gz WCRUNGLABLWPRI-GZMMTYOYSA-N 1 2 246.314 1.119 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000515468746 388464900 /nfs/dbraw/zinc/46/49/00/388464900.db2.gz WCRUNGLABLWPRI-GZMMTYOYSA-N 1 2 246.314 1.119 20 0 BDADLO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)C(=O)OC ZINC000336728850 388470155 /nfs/dbraw/zinc/47/01/55/388470155.db2.gz INYASBOZDIIWSM-RQJHMYQMSA-N 1 2 227.226 1.869 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000516184068 388471625 /nfs/dbraw/zinc/47/16/25/388471625.db2.gz HUUQZWKYKTZQMT-NXEZZACHSA-N 1 2 239.294 1.739 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000516184068 388471627 /nfs/dbraw/zinc/47/16/27/388471627.db2.gz HUUQZWKYKTZQMT-NXEZZACHSA-N 1 2 239.294 1.739 20 0 BDADLO C[C@@H](F)CCNc1[nH+]cnc2c1cnn2C ZINC000338743815 388477419 /nfs/dbraw/zinc/47/74/19/388477419.db2.gz AYMYWLCFUKHYDA-SSDOTTSWSA-N 1 2 223.255 1.523 20 0 BDADLO C[N@H+](CCO)Cc1csc(Cl)n1 ZINC000296205303 388418237 /nfs/dbraw/zinc/41/82/37/388418237.db2.gz CLFZODJIHMSBRR-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO C[N@@H+](CCO)Cc1csc(Cl)n1 ZINC000296205303 388418238 /nfs/dbraw/zinc/41/82/38/388418238.db2.gz CLFZODJIHMSBRR-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H]2CCOC2)o1 ZINC000525273139 388423279 /nfs/dbraw/zinc/42/32/79/388423279.db2.gz FLBVWDYKLJUZJS-VIFPVBQESA-N 1 2 210.277 1.458 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H]2CCOC2)o1 ZINC000525273139 388423281 /nfs/dbraw/zinc/42/32/81/388423281.db2.gz FLBVWDYKLJUZJS-VIFPVBQESA-N 1 2 210.277 1.458 20 0 BDADLO O=C(NC[C@H]1CC12CC2)N1CCn2cc[nH+]c2C1 ZINC000573191281 388430809 /nfs/dbraw/zinc/43/08/09/388430809.db2.gz VGCVXOSCMMNVNJ-SNVBAGLBSA-N 1 2 246.314 1.208 20 0 BDADLO CC[C@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000322536105 388437834 /nfs/dbraw/zinc/43/78/34/388437834.db2.gz RJIVHPCKBNSMEU-ONGXEEELSA-N 1 2 217.309 1.343 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)s1)[C@@H](C)CO ZINC000528511560 388538679 /nfs/dbraw/zinc/53/86/79/388538679.db2.gz FRUUSRLIOTZTJV-QMMMGPOBSA-N 1 2 241.360 1.618 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)s1)[C@@H](C)CO ZINC000528511560 388538683 /nfs/dbraw/zinc/53/86/83/388538683.db2.gz FRUUSRLIOTZTJV-QMMMGPOBSA-N 1 2 241.360 1.618 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000528520275 388541578 /nfs/dbraw/zinc/54/15/78/388541578.db2.gz WLWCIKXEODNGKC-UWJYBYFXSA-N 1 2 233.315 1.361 20 0 BDADLO Cc1cc(NC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc[nH+]1 ZINC000528533695 388544196 /nfs/dbraw/zinc/54/41/96/388544196.db2.gz MKCUWGJNFUVSJH-NOHGZBONSA-N 1 2 248.326 1.810 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548492861 388544384 /nfs/dbraw/zinc/54/43/84/388544384.db2.gz QAKRMCOXFKIPGV-TZMCWYRMSA-N 1 2 249.358 1.761 20 0 BDADLO Cc1cc(NC(=O)c2cnn(C3CC3)c2)cc[nH+]1 ZINC000528535531 388544609 /nfs/dbraw/zinc/54/46/09/388544609.db2.gz WBZUIHIYFSGDNU-UHFFFAOYSA-N 1 2 242.282 1.596 20 0 BDADLO C[N@H+](Cc1coc(S(C)(=O)=O)c1)C(C)(C)C ZINC000528536807 388545082 /nfs/dbraw/zinc/54/50/82/388545082.db2.gz HWHALSZPNCDOSY-UHFFFAOYSA-N 1 2 245.344 1.913 20 0 BDADLO C[N@@H+](Cc1coc(S(C)(=O)=O)c1)C(C)(C)C ZINC000528536807 388545085 /nfs/dbraw/zinc/54/50/85/388545085.db2.gz HWHALSZPNCDOSY-UHFFFAOYSA-N 1 2 245.344 1.913 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000548516626 388545613 /nfs/dbraw/zinc/54/56/13/388545613.db2.gz OBDPTJWBQBQZCY-NSHDSACASA-N 1 2 237.347 1.761 20 0 BDADLO C[C@H]1CCC[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548520583 388545712 /nfs/dbraw/zinc/54/57/12/388545712.db2.gz GAJKTQAORZONJT-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000528567220 388547636 /nfs/dbraw/zinc/54/76/36/388547636.db2.gz GTQRJRCRMXOQRD-XDTLVQLUSA-N 1 2 245.326 1.559 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000177750846 388490073 /nfs/dbraw/zinc/49/00/73/388490073.db2.gz OLPSZDWTMUQCBO-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1(C2CC2)CC1 ZINC000547930133 388495183 /nfs/dbraw/zinc/49/51/83/388495183.db2.gz LQMSEPDECQSYKN-UHFFFAOYSA-N 1 2 233.315 1.269 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135606432 388502386 /nfs/dbraw/zinc/50/23/86/388502386.db2.gz CIEMEFMBTURULW-JQWIXIFHSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135606432 388502388 /nfs/dbraw/zinc/50/23/88/388502388.db2.gz CIEMEFMBTURULW-JQWIXIFHSA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1 ZINC000517391233 388549217 /nfs/dbraw/zinc/54/92/17/388549217.db2.gz LNBGIPIZIPBLIK-JTQLQIEISA-N 1 2 244.298 1.300 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1 ZINC000517391233 388549219 /nfs/dbraw/zinc/54/92/19/388549219.db2.gz LNBGIPIZIPBLIK-JTQLQIEISA-N 1 2 244.298 1.300 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1noc(C(C)C)n1 ZINC000345834937 388516430 /nfs/dbraw/zinc/51/64/30/388516430.db2.gz MYRGVPHYLWIHDF-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000345834937 388516431 /nfs/dbraw/zinc/51/64/31/388516431.db2.gz MYRGVPHYLWIHDF-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000345835004 388517446 /nfs/dbraw/zinc/51/74/46/388517446.db2.gz NGYIMDBUPWQZLU-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000345835004 388517450 /nfs/dbraw/zinc/51/74/50/388517450.db2.gz NGYIMDBUPWQZLU-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000345846730 388518649 /nfs/dbraw/zinc/51/86/49/388518649.db2.gz XOGODXCYFMIYIU-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000345846730 388518651 /nfs/dbraw/zinc/51/86/51/388518651.db2.gz XOGODXCYFMIYIU-SECBINFHSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCc2[nH+]ccn2C)[C@@H]1C1CC1 ZINC000528412499 388520471 /nfs/dbraw/zinc/52/04/71/388520471.db2.gz WNSNAEUGXOFXDW-KPXOXKRLSA-N 1 2 233.315 1.328 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000528402562 388520478 /nfs/dbraw/zinc/52/04/78/388520478.db2.gz HBAQARLBTAYQIQ-GOLMWGNGSA-N 1 2 242.750 1.872 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000528402562 388520480 /nfs/dbraw/zinc/52/04/80/388520480.db2.gz HBAQARLBTAYQIQ-GOLMWGNGSA-N 1 2 242.750 1.872 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000528427785 388523572 /nfs/dbraw/zinc/52/35/72/388523572.db2.gz KYOYIDTYUOIRIP-IONNQARKSA-N 1 2 239.344 1.371 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)s1 ZINC000528427785 388523574 /nfs/dbraw/zinc/52/35/74/388523574.db2.gz KYOYIDTYUOIRIP-IONNQARKSA-N 1 2 239.344 1.371 20 0 BDADLO C[C@@H]1c2cccn2CCN1C(=O)Cn1cc[nH+]c1 ZINC000516900761 388523898 /nfs/dbraw/zinc/52/38/98/388523898.db2.gz FQPNFDKVEQZGMX-LLVKDONJSA-N 1 2 244.298 1.288 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC(F)(F)F ZINC000136288917 388528938 /nfs/dbraw/zinc/52/89/38/388528938.db2.gz ABUNGFSQDMLWOL-ONEGZZNKSA-N 1 2 247.220 1.595 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000528485179 388534051 /nfs/dbraw/zinc/53/40/51/388534051.db2.gz ANCZRBQYMFLRIV-CHDHTGKKSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000528485179 388534053 /nfs/dbraw/zinc/53/40/53/388534053.db2.gz ANCZRBQYMFLRIV-CHDHTGKKSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000528485237 388534065 /nfs/dbraw/zinc/53/40/65/388534065.db2.gz BFKLFXLZLWVQRJ-OTOXVQDCSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000528485237 388534066 /nfs/dbraw/zinc/53/40/66/388534066.db2.gz BFKLFXLZLWVQRJ-OTOXVQDCSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000528485240 388534580 /nfs/dbraw/zinc/53/45/80/388534580.db2.gz BFKLFXLZLWVQRJ-USYJTPIQSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000528485240 388534583 /nfs/dbraw/zinc/53/45/83/388534583.db2.gz BFKLFXLZLWVQRJ-USYJTPIQSA-N 1 2 216.712 1.292 20 0 BDADLO CC1(C)OC[C@H]2C[C@]21NC(=O)CCc1[nH]cc[nH+]1 ZINC000529795793 388589643 /nfs/dbraw/zinc/58/96/43/388589643.db2.gz OEIRJXQNQBTBAZ-RNCFNFMXSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)[C@H]1CCOC1 ZINC000521576238 388617566 /nfs/dbraw/zinc/61/75/66/388617566.db2.gz VYUKAPLDJLOYCJ-UWVGGRQHSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)[C@H]1CCOC1 ZINC000521576238 388617568 /nfs/dbraw/zinc/61/75/68/388617568.db2.gz VYUKAPLDJLOYCJ-UWVGGRQHSA-N 1 2 248.330 1.888 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000082314228 388612363 /nfs/dbraw/zinc/61/23/63/388612363.db2.gz CBOROEFIAVEANK-SSDOTTSWSA-N 1 2 225.210 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000082314228 388612365 /nfs/dbraw/zinc/61/23/65/388612365.db2.gz CBOROEFIAVEANK-SSDOTTSWSA-N 1 2 225.210 1.434 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000082314226 388612517 /nfs/dbraw/zinc/61/25/17/388612517.db2.gz CBOROEFIAVEANK-ZETCQYMHSA-N 1 2 225.210 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000082314226 388612519 /nfs/dbraw/zinc/61/25/19/388612519.db2.gz CBOROEFIAVEANK-ZETCQYMHSA-N 1 2 225.210 1.434 20 0 BDADLO CC1CCC(O)(C[N@H+](C)Cc2nnc[nH]2)CC1 ZINC000175583330 388550939 /nfs/dbraw/zinc/55/09/39/388550939.db2.gz AIIYOJGLONYALR-UHFFFAOYSA-N 1 2 238.335 1.178 20 0 BDADLO CC1CCC(O)(C[N@@H+](C)Cc2nnc[nH]2)CC1 ZINC000175583330 388550942 /nfs/dbraw/zinc/55/09/42/388550942.db2.gz AIIYOJGLONYALR-UHFFFAOYSA-N 1 2 238.335 1.178 20 0 BDADLO CSC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000517451991 388551369 /nfs/dbraw/zinc/55/13/69/388551369.db2.gz FNYIBADUMXPRNB-JTQLQIEISA-N 1 2 239.344 1.237 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc2c[nH]nc2c1 ZINC000517638712 388556675 /nfs/dbraw/zinc/55/66/75/388556675.db2.gz HQACHZZOAHSWCK-UHFFFAOYSA-N 1 2 241.254 1.398 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(C)nc1 ZINC000360972582 388559360 /nfs/dbraw/zinc/55/93/60/388559360.db2.gz BSIVJXBKTFKFEC-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(C)nc1 ZINC000360972582 388559363 /nfs/dbraw/zinc/55/93/63/388559363.db2.gz BSIVJXBKTFKFEC-UHFFFAOYSA-N 1 2 222.288 1.385 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2n[nH]cc2c1 ZINC000080586798 388559538 /nfs/dbraw/zinc/55/95/38/388559538.db2.gz FDTNZSDLVMEXES-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(/C=C/c1ccc(O)cc1)NCc1[nH]cc[nH+]1 ZINC000080587473 388560046 /nfs/dbraw/zinc/56/00/46/388560046.db2.gz KLGHQBWVZVGQKX-ZZXKWVIFSA-N 1 2 243.266 1.445 20 0 BDADLO Cc1cc(C)c(C[NH2+]Cc2nnn(C)n2)cc1C ZINC000362964299 388561891 /nfs/dbraw/zinc/56/18/91/388561891.db2.gz SQMGIWMGYPBCTA-UHFFFAOYSA-N 1 2 245.330 1.425 20 0 BDADLO CSc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000362960134 388562346 /nfs/dbraw/zinc/56/23/46/388562346.db2.gz JPWMNZLVYMMPRF-UHFFFAOYSA-N 1 2 249.343 1.222 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000528741439 388565087 /nfs/dbraw/zinc/56/50/87/388565087.db2.gz NKAOLSBGDWKRML-CQFDHEJISA-N 1 2 233.315 1.626 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000528741442 388565184 /nfs/dbraw/zinc/56/51/84/388565184.db2.gz NKAOLSBGDWKRML-VSYUYLJXSA-N 1 2 233.315 1.626 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2C(F)F)c(C)c[nH+]1 ZINC000548863787 388565654 /nfs/dbraw/zinc/56/56/54/388565654.db2.gz MRGZPFJZOKEMNQ-IUCAKERBSA-N 1 2 240.253 1.960 20 0 BDADLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2ccno2)n[nH]1 ZINC000528791746 388573872 /nfs/dbraw/zinc/57/38/72/388573872.db2.gz GCBLEWTXZWISOP-LLVKDONJSA-N 1 2 246.270 1.507 20 0 BDADLO O=c1ccc([C@H]2CCC[N@H+]2Cc2ccno2)n[nH]1 ZINC000528791746 388573875 /nfs/dbraw/zinc/57/38/75/388573875.db2.gz GCBLEWTXZWISOP-LLVKDONJSA-N 1 2 246.270 1.507 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ncccc1F ZINC000528825709 388576812 /nfs/dbraw/zinc/57/68/12/388576812.db2.gz TXRAPNNPSBIXTP-WPRPVWTQSA-N 1 2 237.278 1.150 20 0 BDADLO Cn1ccnc1C[NH2+][C@H](CCO)c1ccco1 ZINC000184512367 388579605 /nfs/dbraw/zinc/57/96/05/388579605.db2.gz QWYVXXNNGXVLSC-SNVBAGLBSA-N 1 2 235.287 1.226 20 0 BDADLO Cn1cc[nH+]c1CN[C@H](CCO)c1ccco1 ZINC000184512367 388579609 /nfs/dbraw/zinc/57/96/09/388579609.db2.gz QWYVXXNNGXVLSC-SNVBAGLBSA-N 1 2 235.287 1.226 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000245454931 388581225 /nfs/dbraw/zinc/58/12/25/388581225.db2.gz AIPWTSIDSPAKMS-IUCAKERBSA-N 1 2 243.307 1.244 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000245454931 388581228 /nfs/dbraw/zinc/58/12/28/388581228.db2.gz AIPWTSIDSPAKMS-IUCAKERBSA-N 1 2 243.307 1.244 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C2CC2)o1 ZINC000064031164 388666578 /nfs/dbraw/zinc/66/65/78/388666578.db2.gz RJEWHQFJJHHARK-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C2CC2)o1 ZINC000064031164 388666581 /nfs/dbraw/zinc/66/65/81/388666581.db2.gz RJEWHQFJJHHARK-UHFFFAOYSA-N 1 2 236.315 1.641 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191715806 388668246 /nfs/dbraw/zinc/66/82/46/388668246.db2.gz KEWQGDOKGHEPGK-SDDRHHMPSA-N 1 2 245.363 1.977 20 0 BDADLO Cc1ccc(COn2cccn2)c(C)[nH+]1 ZINC000521986574 388672737 /nfs/dbraw/zinc/67/27/37/388672737.db2.gz QGAFNFKXFMSZLC-UHFFFAOYSA-N 1 2 203.245 1.524 20 0 BDADLO COCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000522006971 388674082 /nfs/dbraw/zinc/67/40/82/388674082.db2.gz YLFZOQCJEQSNAE-GHMZBOCLSA-N 1 2 239.319 1.375 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cccn1C ZINC000192604002 388680298 /nfs/dbraw/zinc/68/02/98/388680298.db2.gz HVAVJPDZPRFBBK-UHFFFAOYSA-N 1 2 244.298 1.738 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000521637488 388621108 /nfs/dbraw/zinc/62/11/08/388621108.db2.gz SYGVVZKQTSLRNM-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO Cc1cc(NCc2[nH]c(C)c(C)[nH+]2)nn1C ZINC000521900817 388640352 /nfs/dbraw/zinc/64/03/52/388640352.db2.gz YHRYHJQCYLOBRE-UHFFFAOYSA-N 1 2 219.292 1.102 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000551899254 388646113 /nfs/dbraw/zinc/64/61/13/388646113.db2.gz KVFRLQBWSGWGNB-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000551899254 388646114 /nfs/dbraw/zinc/64/61/14/388646114.db2.gz KVFRLQBWSGWGNB-ZDUSSCGKSA-N 1 2 243.314 1.845 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC1CC(C)(C)C1 ZINC000551945605 388648782 /nfs/dbraw/zinc/64/87/82/388648782.db2.gz NBNBDGRLMHPRKH-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1OCC[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000329158465 388649788 /nfs/dbraw/zinc/64/97/88/388649788.db2.gz CVFREOAFIQEWJY-VXNVDRBHSA-N 1 2 223.276 1.214 20 0 BDADLO COc1ccc(=O)n(Cc2ccc(C)[nH+]c2C)n1 ZINC000194566207 388734860 /nfs/dbraw/zinc/73/48/60/388734860.db2.gz BCKVGYAESWTKPR-UHFFFAOYSA-N 1 2 245.282 1.312 20 0 BDADLO CN(CCC(C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC000649027031 388735454 /nfs/dbraw/zinc/73/54/54/388735454.db2.gz QTZBKGZNMBDIKS-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO Cc1csc(NC(=O)[C@H](C)[NH+]2CC(C)C2)n1 ZINC000552876019 388739456 /nfs/dbraw/zinc/73/94/56/388739456.db2.gz NBKKVAWNNOLUJQ-VIFPVBQESA-N 1 2 239.344 1.730 20 0 BDADLO C[C@@H](C(=O)Nc1ncccc1O)[NH+]1CC(C)C1 ZINC000552866692 388739686 /nfs/dbraw/zinc/73/96/86/388739686.db2.gz NLTMLEGYDHINEE-VIFPVBQESA-N 1 2 235.287 1.066 20 0 BDADLO CCC(CC)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000539235297 388751685 /nfs/dbraw/zinc/75/16/85/388751685.db2.gz QDBFFZAEPVNYPR-UHFFFAOYSA-N 1 2 224.308 1.663 20 0 BDADLO CCC(CC)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000539235297 388751688 /nfs/dbraw/zinc/75/16/88/388751688.db2.gz QDBFFZAEPVNYPR-UHFFFAOYSA-N 1 2 224.308 1.663 20 0 BDADLO COCC1([NH2+]Cc2cn[nH]c2C)CCOCC1 ZINC000552295580 388690481 /nfs/dbraw/zinc/69/04/81/388690481.db2.gz PVRMLTDFCFKAMG-UHFFFAOYSA-N 1 2 239.319 1.003 20 0 BDADLO COC(=O)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000193111206 388692470 /nfs/dbraw/zinc/69/24/70/388692470.db2.gz GMKDHZFONDVKKM-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CC(C)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000193206795 388696223 /nfs/dbraw/zinc/69/62/23/388696223.db2.gz HNDCJHGHISLWKH-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)OC)CCO1 ZINC000248966977 388701585 /nfs/dbraw/zinc/70/15/85/388701585.db2.gz RZARGBBIUCFBRU-KOLCDFICSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)OC)CCO1 ZINC000248966977 388701588 /nfs/dbraw/zinc/70/15/88/388701588.db2.gz RZARGBBIUCFBRU-KOLCDFICSA-N 1 2 215.293 1.049 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@@H]1CCSC1 ZINC000193451240 388705326 /nfs/dbraw/zinc/70/53/26/388705326.db2.gz XWHRFKKUECISRK-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000193451240 388705328 /nfs/dbraw/zinc/70/53/28/388705328.db2.gz XWHRFKKUECISRK-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2csnn2)CC[C@@H]1C ZINC000249120551 388709733 /nfs/dbraw/zinc/70/97/33/388709733.db2.gz BRNGMXKJCUABFD-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2csnn2)CC[C@@H]1C ZINC000249120551 388709735 /nfs/dbraw/zinc/70/97/35/388709735.db2.gz BRNGMXKJCUABFD-WCBMZHEXSA-N 1 2 227.333 1.395 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1ccc[nH]1 ZINC000538721711 388712112 /nfs/dbraw/zinc/71/21/12/388712112.db2.gz YYRZTUOLNSQXIS-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@H](C)O1 ZINC000249255218 388712882 /nfs/dbraw/zinc/71/28/82/388712882.db2.gz YINRBKVDRMDRMB-WCQYABFASA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@H](C)O1 ZINC000249255218 388712885 /nfs/dbraw/zinc/71/28/85/388712885.db2.gz YINRBKVDRMDRMB-WCQYABFASA-N 1 2 239.315 1.824 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccnn2CC)cn1 ZINC000538728504 388713428 /nfs/dbraw/zinc/71/34/28/388713428.db2.gz BLTDAWTXLGPGLE-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccnn2CC)cn1 ZINC000538728504 388713430 /nfs/dbraw/zinc/71/34/30/388713430.db2.gz BLTDAWTXLGPGLE-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(C)cn2)no1 ZINC000087782318 388713511 /nfs/dbraw/zinc/71/35/11/388713511.db2.gz RRRPFMFWFZZFDM-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CC[C@@H](C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066498079 388719081 /nfs/dbraw/zinc/71/90/81/388719081.db2.gz WVELCRUWFRYKQR-SECBINFHSA-N 1 2 234.303 1.253 20 0 BDADLO CC[C@@H](C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000066498079 388719082 /nfs/dbraw/zinc/71/90/82/388719082.db2.gz WVELCRUWFRYKQR-SECBINFHSA-N 1 2 234.303 1.253 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249383702 388719557 /nfs/dbraw/zinc/71/95/57/388719557.db2.gz QUMDCUFKYWOFNV-WOPDTQHZSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249383702 388719559 /nfs/dbraw/zinc/71/95/59/388719559.db2.gz QUMDCUFKYWOFNV-WOPDTQHZSA-N 1 2 236.315 1.224 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCCCOC ZINC000194429917 388732706 /nfs/dbraw/zinc/73/27/06/388732706.db2.gz SFMRKTLUISQKSG-UHFFFAOYSA-N 1 2 235.291 1.295 20 0 BDADLO C[C@H](O)CCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000564221238 388769346 /nfs/dbraw/zinc/76/93/46/388769346.db2.gz BFBQEZLHZRKTSR-NSHDSACASA-N 1 2 248.326 1.602 20 0 BDADLO C[C@H](O)CCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000564221238 388769350 /nfs/dbraw/zinc/76/93/50/388769350.db2.gz BFBQEZLHZRKTSR-NSHDSACASA-N 1 2 248.326 1.602 20 0 BDADLO C[C@H]1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)CCO1 ZINC000540658240 388812657 /nfs/dbraw/zinc/81/26/57/388812657.db2.gz HVFKUPKCHQSBQV-WDEREUQCSA-N 1 2 249.314 1.082 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(CO)o1 ZINC000091981283 388779038 /nfs/dbraw/zinc/77/90/38/388779038.db2.gz YPFKQVZFFPVUGR-JTQLQIEISA-N 1 2 225.288 1.383 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(CO)o1 ZINC000091981283 388779043 /nfs/dbraw/zinc/77/90/43/388779043.db2.gz YPFKQVZFFPVUGR-JTQLQIEISA-N 1 2 225.288 1.383 20 0 BDADLO CCc1nnc(C[NH+]2CCC([C@H](C)O)CC2)o1 ZINC000225775548 388843975 /nfs/dbraw/zinc/84/39/75/388843975.db2.gz FKMKVFMQUYBQLT-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO Cc1cc(N[C@@]2(C)CCO[C@@H]2C)nc[nH+]1 ZINC000230098977 388814576 /nfs/dbraw/zinc/81/45/76/388814576.db2.gz XJAQAZVQTVXPLJ-KOLCDFICSA-N 1 2 207.277 1.764 20 0 BDADLO CC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000555228201 388843992 /nfs/dbraw/zinc/84/39/92/388843992.db2.gz WWOXKNGZKAGHEV-MNOVXSKESA-N 1 2 221.304 1.578 20 0 BDADLO CCn1cc[nH+]c1CNc1ccc(CCO)nc1 ZINC000554536307 388821234 /nfs/dbraw/zinc/82/12/34/388821234.db2.gz DKHDZIPNPZKNEV-UHFFFAOYSA-N 1 2 246.314 1.445 20 0 BDADLO C[C@@H]([NH2+]C/C=C/Cl)c1nncn1C ZINC000230936851 388831720 /nfs/dbraw/zinc/83/17/20/388831720.db2.gz YYLKSPJWIWLNQE-KGGZQZJCSA-N 1 2 200.673 1.218 20 0 BDADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC(F)C1 ZINC000541502545 388852996 /nfs/dbraw/zinc/85/29/96/388852996.db2.gz QRLMJBUEHFCJQB-UHFFFAOYSA-N 1 2 246.245 1.061 20 0 BDADLO COC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000648768272 388854690 /nfs/dbraw/zinc/85/46/90/388854690.db2.gz YQOHQOPUPOBBOI-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1occc1C(=O)NCCc1c[nH+]cn1C ZINC000541552149 388856359 /nfs/dbraw/zinc/85/63/59/388856359.db2.gz NXYHOFPNYSHJFE-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO Cc1oncc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000129645291 388861729 /nfs/dbraw/zinc/86/17/29/388861729.db2.gz QWHQNTWCSLMCCM-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cc1oncc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000129645291 388861733 /nfs/dbraw/zinc/86/17/33/388861733.db2.gz QWHQNTWCSLMCCM-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO COC(=O)CCC[N@@H+]1Cc2cccnc2C1 ZINC000556084691 388866067 /nfs/dbraw/zinc/86/60/67/388866067.db2.gz OAGFBDRCBGNVPF-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO COC(=O)CCC[N@H+]1Cc2cccnc2C1 ZINC000556084691 388866069 /nfs/dbraw/zinc/86/60/69/388866069.db2.gz OAGFBDRCBGNVPF-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO CC(C)OCC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129722837 388868418 /nfs/dbraw/zinc/86/84/18/388868418.db2.gz CPJAZXUYZNDSAS-LLVKDONJSA-N 1 2 231.336 1.683 20 0 BDADLO CC(C)OCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129722837 388868422 /nfs/dbraw/zinc/86/84/22/388868422.db2.gz CPJAZXUYZNDSAS-LLVKDONJSA-N 1 2 231.336 1.683 20 0 BDADLO CCn1cc(CN(C)Cc2[nH+]ccn2CC)cn1 ZINC000523670410 388850058 /nfs/dbraw/zinc/85/00/58/388850058.db2.gz HJWFXXBMEPBXDM-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1(CF)CCC1 ZINC000565029702 388909801 /nfs/dbraw/zinc/90/98/01/388909801.db2.gz PTTPJTHPVGHEIO-UHFFFAOYSA-N 1 2 225.267 1.282 20 0 BDADLO Cc1[nH]nc(NC(=O)C[NH+]2CC(C)(C)C2)c1C ZINC000565180129 388922359 /nfs/dbraw/zinc/92/23/59/388922359.db2.gz IFEJSBKYLUDDKF-UHFFFAOYSA-N 1 2 236.319 1.307 20 0 BDADLO CCc1nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)o1 ZINC000565213238 388927276 /nfs/dbraw/zinc/92/72/76/388927276.db2.gz LXGCUZVAIFADDK-SSDOTTSWSA-N 1 2 248.286 1.760 20 0 BDADLO COC[C@@H](C)CNc1nc(C)[nH+]cc1C ZINC000565222796 388928011 /nfs/dbraw/zinc/92/80/11/388928011.db2.gz QSSONICQRRQXOC-QMMMGPOBSA-N 1 2 209.293 1.210 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@](C)(O)C1 ZINC000565591523 388954263 /nfs/dbraw/zinc/95/42/63/388954263.db2.gz SLSLMCVUFFRWEZ-LBPRGKRZSA-N 1 2 221.304 1.445 20 0 BDADLO CCc1cccc(C[NH+]2CC(NC(C)=O)C2)c1 ZINC000565955937 388982325 /nfs/dbraw/zinc/98/23/25/388982325.db2.gz ZXQHWTSPWDSNLB-UHFFFAOYSA-N 1 2 232.327 1.569 20 0 BDADLO C[C@@H](CCO)CNc1cc[nH+]c(C2CC2)n1 ZINC000266201362 388995510 /nfs/dbraw/zinc/99/55/10/388995510.db2.gz JLNZGLAFDDQWRZ-VIFPVBQESA-N 1 2 221.304 1.784 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1C=CCC1 ZINC000266980342 388998159 /nfs/dbraw/zinc/99/81/59/388998159.db2.gz PRDCHTMXJHVKPG-JTQLQIEISA-N 1 2 219.288 1.691 20 0 BDADLO CCC[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000266969595 388998489 /nfs/dbraw/zinc/99/84/89/388998489.db2.gz LDQBMVKGDLJKSK-QMMMGPOBSA-N 1 2 209.293 1.771 20 0 BDADLO CC/C=C/CC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000274307515 389046343 /nfs/dbraw/zinc/04/63/43/389046343.db2.gz DXOVKZSWSRFUEB-ITKZLYELSA-N 1 2 227.304 1.264 20 0 BDADLO C[C@@H](C[S@](C)=O)Nc1cc[nH+]c(C2CC2)n1 ZINC000273096372 389037839 /nfs/dbraw/zinc/03/78/39/389037839.db2.gz DKHJUMMEYFSKEO-PWJLMRLQSA-N 1 2 239.344 1.533 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2noc(C(C)C)n2)C1 ZINC000510154734 533293095 /nfs/dbraw/zinc/29/30/95/533293095.db2.gz OUOJDIXHEGBBII-AOOOYVTPSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(C(C)C)n2)C1 ZINC000510154734 533293100 /nfs/dbraw/zinc/29/31/00/533293100.db2.gz OUOJDIXHEGBBII-AOOOYVTPSA-N 1 2 239.319 1.802 20 0 BDADLO COc1cccc(NCc2[nH+]ccn2C)n1 ZINC000082458423 322824216 /nfs/dbraw/zinc/82/42/16/322824216.db2.gz JXMYGYMIQTXIDB-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO Cc1nc(N2CCS[C@H](C)C2)cc[nH+]1 ZINC000266348158 132186220 /nfs/dbraw/zinc/18/62/20/132186220.db2.gz JBBJPERRARXGDV-MRVPVSSYSA-N 1 2 209.318 1.727 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000268029088 132191055 /nfs/dbraw/zinc/19/10/55/132191055.db2.gz YITMPHBZVDMRIH-JTQLQIEISA-N 1 2 247.342 1.889 20 0 BDADLO C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000270949560 132198171 /nfs/dbraw/zinc/19/81/71/132198171.db2.gz LPJUJTFHGGOVEP-AWEZNQCLSA-N 1 2 243.310 1.981 20 0 BDADLO CC1(CO)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000273806906 132202020 /nfs/dbraw/zinc/20/20/20/132202020.db2.gz ABBMQJLFBSRRQC-UHFFFAOYSA-N 1 2 247.342 1.953 20 0 BDADLO COC[C@H]1CN(c2cc[nH+]c(C)n2)C[C@H](C)O1 ZINC000276045452 132205889 /nfs/dbraw/zinc/20/58/89/132205889.db2.gz PVRICSIVZIIKPY-GXSJLCMTSA-N 1 2 237.303 1.025 20 0 BDADLO C[C@@H]1CCCCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278342981 132207661 /nfs/dbraw/zinc/20/76/61/132207661.db2.gz JBEDNQXTBRBKNF-MRVPVSSYSA-N 1 2 246.318 1.324 20 0 BDADLO Cn1ncc2c1nc(N1CCC=C(F)C1)[nH+]c2N ZINC000278797475 132208068 /nfs/dbraw/zinc/20/80/68/132208068.db2.gz QVDBDUMFCWMWQG-UHFFFAOYSA-N 1 2 248.265 1.009 20 0 BDADLO FCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000280512644 132210531 /nfs/dbraw/zinc/21/05/31/132210531.db2.gz DDNNRKLBFYBKOJ-UHFFFAOYSA-N 1 2 224.283 1.848 20 0 BDADLO FCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000280512644 132210529 /nfs/dbraw/zinc/21/05/29/132210529.db2.gz DDNNRKLBFYBKOJ-UHFFFAOYSA-N 1 2 224.283 1.848 20 0 BDADLO CCc1nc(N2CCNC(=O)[C@@H]2CC)cc(C)[nH+]1 ZINC000283756362 132213058 /nfs/dbraw/zinc/21/30/58/132213058.db2.gz MBUPCCPVYNTJBY-JTQLQIEISA-N 1 2 248.330 1.062 20 0 BDADLO C[C@@H]1COCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000285977198 132213962 /nfs/dbraw/zinc/21/39/62/132213962.db2.gz BRMSHMSNCIPYGI-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO C[C@@H]1COCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC000285977198 132213968 /nfs/dbraw/zinc/21/39/68/132213968.db2.gz BRMSHMSNCIPYGI-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO CCCc1cc(N2CCCC[NH2+]2)n2ncnc2n1 ZINC000289130380 132216711 /nfs/dbraw/zinc/21/67/11/132216711.db2.gz NGMYDCDODZVJNK-UHFFFAOYSA-N 1 2 246.318 1.182 20 0 BDADLO Cc1cc(N2CCC[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000040417989 132223571 /nfs/dbraw/zinc/22/35/71/132223571.db2.gz BXBUECDMAWPOLI-LLVKDONJSA-N 1 2 235.331 1.870 20 0 BDADLO c1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)[nH+]c1 ZINC000128901555 132233373 /nfs/dbraw/zinc/23/33/73/132233373.db2.gz NTTJJMLCRMMBBT-NWDGAFQWSA-N 1 2 234.299 1.466 20 0 BDADLO Cc1ccnc(N2CC[NH+](C)CC2)c1Cl ZINC000336418201 132247557 /nfs/dbraw/zinc/24/75/57/132247557.db2.gz AMMBCWWYJPXBHZ-UHFFFAOYSA-N 1 2 225.723 1.795 20 0 BDADLO Cc1nc(N2CCC([C@@H](C)O)CC2)c(C)c(C)[nH+]1 ZINC000301712850 132256786 /nfs/dbraw/zinc/25/67/86/132256786.db2.gz YONZNQVPZLXBAV-LLVKDONJSA-N 1 2 249.358 1.999 20 0 BDADLO Cc1nc(N2CCC[C@H]([C@@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000301787491 132257827 /nfs/dbraw/zinc/25/78/27/132257827.db2.gz PXHBZNNELLHJEM-YPMHNXCESA-N 1 2 249.358 1.999 20 0 BDADLO CO[C@@H]1CN(c2cccc[nH+]2)CC[C@@H]1C ZINC000302556016 132264234 /nfs/dbraw/zinc/26/42/34/132264234.db2.gz LMWBXRSHIOUHFA-WDEREUQCSA-N 1 2 206.289 1.943 20 0 BDADLO C[C@H]1CC[C@@H](C(N)=O)CN1c1cccc[nH+]1 ZINC000302655316 132265406 /nfs/dbraw/zinc/26/54/06/132265406.db2.gz KRBVXKZNZWOYKJ-VHSXEESVSA-N 1 2 219.288 1.172 20 0 BDADLO c1ccc(N2CCC(O[C@H]3CCOC3)CC2)[nH+]c1 ZINC000359029511 132276193 /nfs/dbraw/zinc/27/61/93/132276193.db2.gz LJBRWJAKKSDURO-ZDUSSCGKSA-N 1 2 248.326 1.856 20 0 BDADLO CCc1nc(N2CCO[C@H](C3CC3)C2)cc(C)[nH+]1 ZINC000376418568 132289193 /nfs/dbraw/zinc/28/91/93/132289193.db2.gz CNLKNIPGRILWPZ-LBPRGKRZSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1OCCN(c2nc[nH+]c(N)c2Cl)[C@H]1C ZINC000277743361 132306525 /nfs/dbraw/zinc/30/65/25/132306525.db2.gz JGIACTVTHULROK-BQBZGAKWSA-N 1 2 242.710 1.326 20 0 BDADLO CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000048372537 132355317 /nfs/dbraw/zinc/35/53/17/132355317.db2.gz PEHIPSDKFSOWKV-UHFFFAOYSA-N 1 2 233.315 1.708 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)[C@H](C)CO1 ZINC000110128590 132437858 /nfs/dbraw/zinc/43/78/58/132437858.db2.gz FMXYEURHSPYQBS-NXEZZACHSA-N 1 2 233.315 1.968 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccco1 ZINC000335822591 133929086 /nfs/dbraw/zinc/92/90/86/133929086.db2.gz UPMBXFWKMUEJSV-CHWSQXEVSA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccco1 ZINC000335822591 133929087 /nfs/dbraw/zinc/92/90/87/133929087.db2.gz UPMBXFWKMUEJSV-CHWSQXEVSA-N 1 2 249.310 1.850 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@@](F)(CO)C2)n1 ZINC000335925866 134008695 /nfs/dbraw/zinc/00/86/95/134008695.db2.gz FVDIGHWKMVVYRN-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@@](F)(CO)C2)n1 ZINC000335925866 134008696 /nfs/dbraw/zinc/00/86/96/134008696.db2.gz FVDIGHWKMVVYRN-JTQLQIEISA-N 1 2 230.308 1.358 20 0 BDADLO C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)CC1(F)F ZINC000335937765 134013153 /nfs/dbraw/zinc/01/31/53/134013153.db2.gz NQURYJRQKRURCP-RKDXNWHRSA-N 1 2 205.248 1.752 20 0 BDADLO C[C@@H]1CC[N@H+]([C@@H]2CCOC2)CC1(F)F ZINC000335937765 134013154 /nfs/dbraw/zinc/01/31/54/134013154.db2.gz NQURYJRQKRURCP-RKDXNWHRSA-N 1 2 205.248 1.752 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351957064 134016518 /nfs/dbraw/zinc/01/65/18/134016518.db2.gz IZQYPNSAPFRQAF-ZYHUDNBSSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351957064 134016519 /nfs/dbraw/zinc/01/65/19/134016519.db2.gz IZQYPNSAPFRQAF-ZYHUDNBSSA-N 1 2 241.331 1.439 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000335947832 134020811 /nfs/dbraw/zinc/02/08/11/134020811.db2.gz OUJHWRGDUVZJBN-GFCCVEGCSA-N 1 2 234.278 1.663 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000335947832 134020812 /nfs/dbraw/zinc/02/08/12/134020812.db2.gz OUJHWRGDUVZJBN-GFCCVEGCSA-N 1 2 234.278 1.663 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000335960178 134026450 /nfs/dbraw/zinc/02/64/50/134026450.db2.gz GNTXTIZWXKEGDB-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000335960181 134026535 /nfs/dbraw/zinc/02/65/35/134026535.db2.gz GNTXTIZWXKEGDB-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000335980102 134037239 /nfs/dbraw/zinc/03/72/39/134037239.db2.gz MOOOJWXXBFJUCV-AAEUAGOBSA-N 1 2 247.342 1.754 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nccs2)C1 ZINC000335981654 134037726 /nfs/dbraw/zinc/03/77/26/134037726.db2.gz RVOSMWPBTHNBFV-VIFPVBQESA-N 1 2 212.318 1.611 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nccs2)C1 ZINC000335981654 134037727 /nfs/dbraw/zinc/03/77/27/134037727.db2.gz RVOSMWPBTHNBFV-VIFPVBQESA-N 1 2 212.318 1.611 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352026039 134042495 /nfs/dbraw/zinc/04/24/95/134042495.db2.gz CWSVZYVFLGBIPZ-YUMQZZPRSA-N 1 2 245.277 1.248 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352026039 134042496 /nfs/dbraw/zinc/04/24/96/134042496.db2.gz CWSVZYVFLGBIPZ-YUMQZZPRSA-N 1 2 245.277 1.248 20 0 BDADLO Cc1cc(NC(=O)N(C)CC2(O)CCC2)cc[nH+]1 ZINC000336003433 134047998 /nfs/dbraw/zinc/04/79/98/134047998.db2.gz IFFRFDZGZDFPKV-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)on1 ZINC000336009188 134050358 /nfs/dbraw/zinc/05/03/58/134050358.db2.gz NDTNMIQVHFSTIA-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)on1 ZINC000336009188 134050359 /nfs/dbraw/zinc/05/03/59/134050359.db2.gz NDTNMIQVHFSTIA-GFCCVEGCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)on1 ZINC000336009189 134050429 /nfs/dbraw/zinc/05/04/29/134050429.db2.gz NDTNMIQVHFSTIA-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)on1 ZINC000336009189 134050430 /nfs/dbraw/zinc/05/04/30/134050430.db2.gz NDTNMIQVHFSTIA-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n[nH]1 ZINC000336018983 134053639 /nfs/dbraw/zinc/05/36/39/134053639.db2.gz JVXOJNAVEHMZRU-QWHCGFSZSA-N 1 2 247.342 1.943 20 0 BDADLO c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n[nH]1 ZINC000336018983 134053640 /nfs/dbraw/zinc/05/36/40/134053640.db2.gz JVXOJNAVEHMZRU-QWHCGFSZSA-N 1 2 247.342 1.943 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000336022618 134055964 /nfs/dbraw/zinc/05/59/64/134055964.db2.gz YJBJUWTTWCOAQH-GHMZBOCLSA-N 1 2 233.315 1.662 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000336032035 134058638 /nfs/dbraw/zinc/05/86/38/134058638.db2.gz OOPJMMLCQKGHKU-NSHDSACASA-N 1 2 231.303 1.362 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000336032035 134058639 /nfs/dbraw/zinc/05/86/39/134058639.db2.gz OOPJMMLCQKGHKU-NSHDSACASA-N 1 2 231.303 1.362 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000336039594 134060524 /nfs/dbraw/zinc/06/05/24/134060524.db2.gz GNBKMDXPVVRHKW-LLVKDONJSA-N 1 2 247.273 1.783 20 0 BDADLO Cn1cc[nH+]c1CN[C@@H]1COc2ccc(F)cc21 ZINC000336039594 134060525 /nfs/dbraw/zinc/06/05/25/134060525.db2.gz GNBKMDXPVVRHKW-LLVKDONJSA-N 1 2 247.273 1.783 20 0 BDADLO CC(C)N(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336054317 134065745 /nfs/dbraw/zinc/06/57/45/134065745.db2.gz XYIKEKUXYTZXJB-JTQLQIEISA-N 1 2 236.319 1.248 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000352102450 134068199 /nfs/dbraw/zinc/06/81/99/134068199.db2.gz OCLIGJMBIKPPAW-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000352102450 134068200 /nfs/dbraw/zinc/06/82/00/134068200.db2.gz OCLIGJMBIKPPAW-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336066848 134070758 /nfs/dbraw/zinc/07/07/58/134070758.db2.gz XOSXTXFQNONANO-ZETCQYMHSA-N 1 2 232.736 1.611 20 0 BDADLO Cc1c(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cnn1C ZINC000336147165 134102869 /nfs/dbraw/zinc/10/28/69/134102869.db2.gz OWWDYCGBHIBBBJ-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1c(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cnn1C ZINC000336147165 134102870 /nfs/dbraw/zinc/10/28/70/134102870.db2.gz OWWDYCGBHIBBBJ-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO O=C(C[NH2+]C1(C(F)F)CCCCC1)N1CCC1 ZINC000352223337 134110054 /nfs/dbraw/zinc/11/00/54/134110054.db2.gz VICUIJLLVKLVCU-UHFFFAOYSA-N 1 2 246.301 1.776 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000336161395 134110960 /nfs/dbraw/zinc/11/09/60/134110960.db2.gz HMCLCIOILCTNIO-STQMWFEESA-N 1 2 233.315 1.737 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000336161395 134110961 /nfs/dbraw/zinc/11/09/61/134110961.db2.gz HMCLCIOILCTNIO-STQMWFEESA-N 1 2 233.315 1.737 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)NCCF)cc2n1C ZINC000336165221 134111967 /nfs/dbraw/zinc/11/19/67/134111967.db2.gz AQVBLJKODAXGDF-UHFFFAOYSA-N 1 2 235.262 1.581 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCSCC2)s1 ZINC000336535078 134149420 /nfs/dbraw/zinc/14/94/20/134149420.db2.gz NMAGVKOFEBKTAP-UHFFFAOYSA-N 1 2 229.374 1.785 20 0 BDADLO Cc1nnc(C[N@H+]2CCCSCC2)s1 ZINC000336535078 134149421 /nfs/dbraw/zinc/14/94/21/134149421.db2.gz NMAGVKOFEBKTAP-UHFFFAOYSA-N 1 2 229.374 1.785 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000168584684 134227606 /nfs/dbraw/zinc/22/76/06/134227606.db2.gz DAQVNQJFWXGJRK-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(F)cc1 ZINC000168605699 134231187 /nfs/dbraw/zinc/23/11/87/134231187.db2.gz MTGRTWSPORFGQL-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(F)cc1 ZINC000168605699 134231188 /nfs/dbraw/zinc/23/11/88/134231188.db2.gz MTGRTWSPORFGQL-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@H+](Cc2cscn2)CCCO1 ZINC000170771054 134253394 /nfs/dbraw/zinc/25/33/94/134253394.db2.gz BBFNVHNOJKUINJ-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cscn2)CCCO1 ZINC000170771054 134253395 /nfs/dbraw/zinc/25/33/95/134253395.db2.gz BBFNVHNOJKUINJ-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC(C)C ZINC000172170854 134262658 /nfs/dbraw/zinc/26/26/58/134262658.db2.gz SMSXURRFPGBYNC-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC(C)C ZINC000172170854 134262659 /nfs/dbraw/zinc/26/26/59/134262659.db2.gz SMSXURRFPGBYNC-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@H]1C1CC1 ZINC000176045585 134290008 /nfs/dbraw/zinc/29/00/08/134290008.db2.gz DNMUVUNSXGWUDD-UWVGGRQHSA-N 1 2 219.288 1.115 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000221040133 134318069 /nfs/dbraw/zinc/31/80/69/134318069.db2.gz YXEIVKWVFIEFKJ-SECBINFHSA-N 1 2 249.293 1.683 20 0 BDADLO CCOC1CC([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000221276237 134322432 /nfs/dbraw/zinc/32/24/32/134322432.db2.gz MSCRAGCDHRNJPN-KPPDAEKUSA-N 1 2 243.347 1.874 20 0 BDADLO COCc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)no1 ZINC000182468322 134341864 /nfs/dbraw/zinc/34/18/64/134341864.db2.gz BSMDQLRKJOCOBD-AOOOYVTPSA-N 1 2 239.319 1.979 20 0 BDADLO COCc1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)no1 ZINC000182468322 134341865 /nfs/dbraw/zinc/34/18/65/134341865.db2.gz BSMDQLRKJOCOBD-AOOOYVTPSA-N 1 2 239.319 1.979 20 0 BDADLO CCNC(=O)C[NH2+]Cc1ncc(Cl)s1 ZINC000225300558 134354256 /nfs/dbraw/zinc/35/42/56/134354256.db2.gz HHBPVOUMCXJKAZ-UHFFFAOYSA-N 1 2 233.724 1.022 20 0 BDADLO COCCC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183590443 134354262 /nfs/dbraw/zinc/35/42/62/134354262.db2.gz CZCUZGHJEOQNDO-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1O ZINC000226997076 134371140 /nfs/dbraw/zinc/37/11/40/134371140.db2.gz YCJOVXPBCOXMPV-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1O ZINC000227028365 134373527 /nfs/dbraw/zinc/37/35/27/134373527.db2.gz XFKHXLAOWZEQGQ-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO CCCCOCC[NH+]1CCN(C(C)C)CC1 ZINC000056283540 134390313 /nfs/dbraw/zinc/39/03/13/134390313.db2.gz SRXYDMLHAFHNFE-UHFFFAOYSA-N 1 2 228.380 1.829 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CSC)C1CC1 ZINC000227770303 134393644 /nfs/dbraw/zinc/39/36/44/134393644.db2.gz MGPGKFDUJMDWEU-VXNVDRBHSA-N 1 2 217.334 1.279 20 0 BDADLO COC(=O)C1([NH2+]C[C@H]2CC[C@@H](C)O2)CCCC1 ZINC000190972591 134566063 /nfs/dbraw/zinc/56/60/63/134566063.db2.gz AJDMTRASEHVDKM-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H](CC1CC1)Nc1[nH+]cnc2c1cnn2C ZINC000070102698 134909032 /nfs/dbraw/zinc/90/90/32/134909032.db2.gz DLMNGRDZQVDRON-QMMMGPOBSA-N 1 2 231.303 1.964 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000070651506 135005380 /nfs/dbraw/zinc/00/53/80/135005380.db2.gz YKQCHQXCPAUHJB-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000248822907 135023068 /nfs/dbraw/zinc/02/30/68/135023068.db2.gz JOIFGUOEDWPSCX-DLOVCJGASA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000248822907 135023071 /nfs/dbraw/zinc/02/30/71/135023071.db2.gz JOIFGUOEDWPSCX-DLOVCJGASA-N 1 2 249.314 1.183 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C(=O)OC)[C@H](C)O ZINC000249037365 135030836 /nfs/dbraw/zinc/03/08/36/135030836.db2.gz GFMVGXKLHXZZOR-BJDJZHNGSA-N 1 2 245.363 1.713 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)[nH]1 ZINC000249270235 135037137 /nfs/dbraw/zinc/03/71/37/135037137.db2.gz ATQHTTBGGJPJIK-VHSXEESVSA-N 1 2 238.335 1.102 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)[nH]1 ZINC000249270235 135037138 /nfs/dbraw/zinc/03/71/38/135037138.db2.gz ATQHTTBGGJPJIK-VHSXEESVSA-N 1 2 238.335 1.102 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C1CC=CC1 ZINC000076958445 135053538 /nfs/dbraw/zinc/05/35/38/135053538.db2.gz CSXZKKPWWBGEAI-UHFFFAOYSA-N 1 2 245.326 1.730 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000250661611 135057436 /nfs/dbraw/zinc/05/74/36/135057436.db2.gz FPMHFIXRVCCQQG-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000250661611 135057438 /nfs/dbraw/zinc/05/74/38/135057438.db2.gz FPMHFIXRVCCQQG-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCCC(=O)NCC(=O)Nc1cc[nH+]c(C)c1 ZINC000077323931 135063017 /nfs/dbraw/zinc/06/30/17/135063017.db2.gz FABNFXQTSQFXCX-UHFFFAOYSA-N 1 2 235.287 1.245 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000086765835 135096392 /nfs/dbraw/zinc/09/63/92/135096392.db2.gz OIVHZZBCXVDIQR-UHFFFAOYSA-N 1 2 227.333 1.336 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000086765835 135096394 /nfs/dbraw/zinc/09/63/94/135096394.db2.gz OIVHZZBCXVDIQR-UHFFFAOYSA-N 1 2 227.333 1.336 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000078304794 135118749 /nfs/dbraw/zinc/11/87/49/135118749.db2.gz GFUZJYRORSYHBI-QWRGUYRKSA-N 1 2 221.304 1.748 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000261334459 135149935 /nfs/dbraw/zinc/14/99/35/135149935.db2.gz YXGKNAIABGBKGQ-PSASIEDQSA-N 1 2 203.257 1.372 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000261334459 135149937 /nfs/dbraw/zinc/14/99/37/135149937.db2.gz YXGKNAIABGBKGQ-PSASIEDQSA-N 1 2 203.257 1.372 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353169865 135167879 /nfs/dbraw/zinc/16/78/79/135167879.db2.gz JQOHKVRTXYUXJH-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353169865 135167881 /nfs/dbraw/zinc/16/78/81/135167881.db2.gz JQOHKVRTXYUXJH-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000087786049 135171797 /nfs/dbraw/zinc/17/17/97/135171797.db2.gz HQSVUJAKWCITEJ-DTWKUNHWSA-N 1 2 215.293 1.095 20 0 BDADLO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000164097969 135214392 /nfs/dbraw/zinc/21/43/92/135214392.db2.gz JRWAJWRQTWVWRP-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO Nc1ncc(C[N@@H+]2CCOCC23CCC3)s1 ZINC000261589917 135230312 /nfs/dbraw/zinc/23/03/12/135230312.db2.gz UDRXTEFTUIOYMC-UHFFFAOYSA-N 1 2 239.344 1.480 20 0 BDADLO Nc1ncc(C[N@H+]2CCOCC23CCC3)s1 ZINC000261589917 135230314 /nfs/dbraw/zinc/23/03/14/135230314.db2.gz UDRXTEFTUIOYMC-UHFFFAOYSA-N 1 2 239.344 1.480 20 0 BDADLO CC1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCC1 ZINC000261856622 135257655 /nfs/dbraw/zinc/25/76/55/135257655.db2.gz AAXKGESYZJFSEX-QMMMGPOBSA-N 1 2 232.274 1.290 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000342319692 135263930 /nfs/dbraw/zinc/26/39/30/135263930.db2.gz NMJIMSNAFJSVBD-ZJUUUORDSA-N 1 2 239.344 1.141 20 0 BDADLO c1cn(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932045 135264166 /nfs/dbraw/zinc/26/41/66/135264166.db2.gz LREIKDXLGGILBN-ZIAGYGMSSA-N 1 2 248.374 1.347 20 0 BDADLO c1cn(C[C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000261932045 135264168 /nfs/dbraw/zinc/26/41/68/135264168.db2.gz LREIKDXLGGILBN-ZIAGYGMSSA-N 1 2 248.374 1.347 20 0 BDADLO Cc1[nH]c(C(=O)NCC(=O)c2cccs2)c[nH+]1 ZINC000342335352 135265060 /nfs/dbraw/zinc/26/50/60/135265060.db2.gz QYCGRCKRSUCZGR-UHFFFAOYSA-N 1 2 249.295 1.392 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CC[C@H](CO)C1 ZINC000079048920 135268182 /nfs/dbraw/zinc/26/81/82/135268182.db2.gz BIMDTQSACDOTOP-JTQLQIEISA-N 1 2 231.299 1.392 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC1CC1 ZINC000342493892 135282812 /nfs/dbraw/zinc/28/28/12/135282812.db2.gz LTCHOHOJDJJKNM-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC1CC1 ZINC000342493892 135282813 /nfs/dbraw/zinc/28/28/13/135282813.db2.gz LTCHOHOJDJJKNM-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO COCc1cnc(C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000342617037 135295749 /nfs/dbraw/zinc/29/57/49/135295749.db2.gz OSDHHIVWHPNFEN-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@H+]2CCC[C@@H]2CO)s1 ZINC000342617037 135295750 /nfs/dbraw/zinc/29/57/50/135295750.db2.gz OSDHHIVWHPNFEN-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1ccoc1 ZINC000342628109 135297509 /nfs/dbraw/zinc/29/75/09/135297509.db2.gz CHIPKBKRLQMROT-SECBINFHSA-N 1 2 222.288 1.379 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccoc1 ZINC000342628109 135297511 /nfs/dbraw/zinc/29/75/11/135297511.db2.gz CHIPKBKRLQMROT-SECBINFHSA-N 1 2 222.288 1.379 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc(COC)s1 ZINC000342684329 135305053 /nfs/dbraw/zinc/30/50/53/135305053.db2.gz VAEYKICLEUCMMH-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc(COC)s1 ZINC000342684329 135305054 /nfs/dbraw/zinc/30/50/54/135305054.db2.gz VAEYKICLEUCMMH-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO Cc1c[nH+]c(CN2CCc3cncnc3C2)n1C ZINC000342796304 135319479 /nfs/dbraw/zinc/31/94/79/135319479.db2.gz JZRSZNRBUMMTMC-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1cnc(C[N@@H+]2CCS[C@H](C)C2)n1C ZINC000342795055 135320056 /nfs/dbraw/zinc/32/00/56/135320056.db2.gz WAHQKTXSNWANCV-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@H+]2CCS[C@H](C)C2)n1C ZINC000342795055 135320058 /nfs/dbraw/zinc/32/00/58/135320058.db2.gz WAHQKTXSNWANCV-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1c[nH+]c(CN2CCS[C@H](C)C2)n1C ZINC000342795055 135320059 /nfs/dbraw/zinc/32/00/59/135320059.db2.gz WAHQKTXSNWANCV-SNVBAGLBSA-N 1 2 225.361 1.666 20 0 BDADLO Cc1ccnc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000262903080 135323318 /nfs/dbraw/zinc/32/33/18/135323318.db2.gz DWFZLUWMCAJMBO-MRVPVSSYSA-N 1 2 241.241 1.326 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263012187 135326283 /nfs/dbraw/zinc/32/62/83/135326283.db2.gz PWRFWORXHHNSNH-VHSXEESVSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2cc[nH+]c(N)c2)[C@@H]1C(=O)[O-] ZINC000263030363 135328198 /nfs/dbraw/zinc/32/81/98/135328198.db2.gz GWEKOTPHEOCZMR-SKDRFNHKSA-N 1 2 249.314 1.349 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2cc[nH+]c(N)c2)[C@@H]1C(=O)[O-] ZINC000263030363 135328199 /nfs/dbraw/zinc/32/81/99/135328199.db2.gz GWEKOTPHEOCZMR-SKDRFNHKSA-N 1 2 249.314 1.349 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263070120 135330540 /nfs/dbraw/zinc/33/05/40/135330540.db2.gz WLHRONMTEDSBST-BDAKNGLRSA-N 1 2 232.274 1.242 20 0 BDADLO O=C(NCc1cccs1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263077901 135331206 /nfs/dbraw/zinc/33/12/06/135331206.db2.gz XFRVHAZXFGBMGF-MRVPVSSYSA-N 1 2 246.282 1.362 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000366796331 135343583 /nfs/dbraw/zinc/34/35/83/135343583.db2.gz LMFICSFBRHXLKU-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000366796331 135343585 /nfs/dbraw/zinc/34/35/85/135343585.db2.gz LMFICSFBRHXLKU-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CCC3)n2C)[C@H]1C ZINC000334340528 135363578 /nfs/dbraw/zinc/36/35/78/135363578.db2.gz NADGXEYZLWQRJB-ZJUUUORDSA-N 1 2 234.347 1.923 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CCC3)n2C)[C@H]1C ZINC000334340528 135363581 /nfs/dbraw/zinc/36/35/81/135363581.db2.gz NADGXEYZLWQRJB-ZJUUUORDSA-N 1 2 234.347 1.923 20 0 BDADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000334348910 135367676 /nfs/dbraw/zinc/36/76/76/135367676.db2.gz UFVBVGBUHZYSFK-NSHDSACASA-N 1 2 245.326 1.863 20 0 BDADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@H](C)C1 ZINC000334348910 135367677 /nfs/dbraw/zinc/36/76/77/135367677.db2.gz UFVBVGBUHZYSFK-NSHDSACASA-N 1 2 245.326 1.863 20 0 BDADLO CSCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334377870 135378987 /nfs/dbraw/zinc/37/89/87/135378987.db2.gz XAMDATHRZIDGPR-SECBINFHSA-N 1 2 239.344 1.099 20 0 BDADLO C[C@@H](O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000075777307 135391297 /nfs/dbraw/zinc/39/12/97/135391297.db2.gz NLNHDFSSXDGMIA-SECBINFHSA-N 1 2 217.309 1.031 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000075777307 135391299 /nfs/dbraw/zinc/39/12/99/135391299.db2.gz NLNHDFSSXDGMIA-SECBINFHSA-N 1 2 217.309 1.031 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCSC2)cc[nH+]1 ZINC000334412007 135395859 /nfs/dbraw/zinc/39/58/59/135395859.db2.gz LMRJVOUBAWWAEV-JTQLQIEISA-N 1 2 236.340 1.894 20 0 BDADLO CNC(=O)C1C[NH+](Cc2ccsc2Cl)C1 ZINC000334779698 135810553 /nfs/dbraw/zinc/81/05/53/135810553.db2.gz CLXCHKQCKRITCX-UHFFFAOYSA-N 1 2 244.747 1.579 20 0 BDADLO CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000334972363 135854505 /nfs/dbraw/zinc/85/45/05/135854505.db2.gz VIZGUBKJPIYLFT-UHFFFAOYSA-N 1 2 207.277 1.518 20 0 BDADLO [NH3+][C@@H](C(=O)NC1CC1)c1c(F)cccc1F ZINC000335051744 135873853 /nfs/dbraw/zinc/87/38/53/135873853.db2.gz TYAOEPPWAZLFMX-SNVBAGLBSA-N 1 2 226.226 1.243 20 0 BDADLO O=c1sccn1Cc1c[nH+]c2ccccn12 ZINC000346608035 135942937 /nfs/dbraw/zinc/94/29/37/135942937.db2.gz KCTKWCFAOHWGQE-UHFFFAOYSA-N 1 2 231.280 1.606 20 0 BDADLO CCCCOCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347961680 136017601 /nfs/dbraw/zinc/01/76/01/136017601.db2.gz NQXSPHRWXQYGNK-JTQLQIEISA-N 1 2 239.319 1.794 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347999415 136020551 /nfs/dbraw/zinc/02/05/51/136020551.db2.gz ZRGZWDLAQSQNII-UWVGGRQHSA-N 1 2 239.319 1.792 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000348016449 136022019 /nfs/dbraw/zinc/02/20/19/136022019.db2.gz YZVUONWIGGOOIP-MNOVXSKESA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000348060256 136024312 /nfs/dbraw/zinc/02/43/12/136024312.db2.gz MGUKRTFODXZZKM-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000348060256 136024313 /nfs/dbraw/zinc/02/43/13/136024313.db2.gz MGUKRTFODXZZKM-JTQLQIEISA-N 1 2 224.304 1.626 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@@H]1C ZINC000335317001 136025254 /nfs/dbraw/zinc/02/52/54/136025254.db2.gz UZGJARZKGKVGSK-WPRPVWTQSA-N 1 2 219.288 1.732 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@H+](CC3CC3)C2)O1 ZINC000335312727 136030584 /nfs/dbraw/zinc/03/05/84/136030584.db2.gz HMIKJDNKXPQFMY-SECBINFHSA-N 1 2 223.276 1.365 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@@H+](CC3CC3)C2)O1 ZINC000335312727 136030585 /nfs/dbraw/zinc/03/05/85/136030585.db2.gz HMIKJDNKXPQFMY-SECBINFHSA-N 1 2 223.276 1.365 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000335312727 136030586 /nfs/dbraw/zinc/03/05/86/136030586.db2.gz HMIKJDNKXPQFMY-SECBINFHSA-N 1 2 223.276 1.365 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000335312727 136030587 /nfs/dbraw/zinc/03/05/87/136030587.db2.gz HMIKJDNKXPQFMY-SECBINFHSA-N 1 2 223.276 1.365 20 0 BDADLO COC(=O)[C@]1([NH2+]CCc2ccccc2)CCOC1 ZINC000348077151 136034425 /nfs/dbraw/zinc/03/44/25/136034425.db2.gz QYQPNMQWNDVRQI-AWEZNQCLSA-N 1 2 249.310 1.151 20 0 BDADLO FC(F)[C@H]1C[C@H]1[NH2+]Cc1csnn1 ZINC000348103561 136036681 /nfs/dbraw/zinc/03/66/81/136036681.db2.gz FXDQJBSOBOSRKY-NTSWFWBYSA-N 1 2 205.233 1.281 20 0 BDADLO C[C@@H]([NH2+]CCO)c1noc(Cc2ccccc2)n1 ZINC000348303778 136065069 /nfs/dbraw/zinc/06/50/69/136065069.db2.gz DKZPSYMVPPKICT-SNVBAGLBSA-N 1 2 247.298 1.303 20 0 BDADLO C[C@H]([NH2+]CCO)c1noc(Cc2ccccc2)n1 ZINC000348303776 136065318 /nfs/dbraw/zinc/06/53/18/136065318.db2.gz DKZPSYMVPPKICT-JTQLQIEISA-N 1 2 247.298 1.303 20 0 BDADLO CCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000335346312 136066672 /nfs/dbraw/zinc/06/66/72/136066672.db2.gz IUCMIJOMBZPGJA-JTQLQIEISA-N 1 2 224.329 1.631 20 0 BDADLO CCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000335346312 136066673 /nfs/dbraw/zinc/06/66/73/136066673.db2.gz IUCMIJOMBZPGJA-JTQLQIEISA-N 1 2 224.329 1.631 20 0 BDADLO Oc1cccc(C[N@@H+]2CCOCC23CC3)c1 ZINC000335350920 136068779 /nfs/dbraw/zinc/06/87/79/136068779.db2.gz FBJWFCRCXRUONR-UHFFFAOYSA-N 1 2 219.284 1.757 20 0 BDADLO Oc1cccc(C[N@H+]2CCOCC23CC3)c1 ZINC000335350920 136068780 /nfs/dbraw/zinc/06/87/80/136068780.db2.gz FBJWFCRCXRUONR-UHFFFAOYSA-N 1 2 219.284 1.757 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccn(C)c1 ZINC000348331007 136075105 /nfs/dbraw/zinc/07/51/05/136075105.db2.gz UPUQUCOECXRCMH-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO C[C@H]1C[N@H+](Cc2nn(C)cc2Cl)CC[C@H]1O ZINC000335395730 136092522 /nfs/dbraw/zinc/09/25/22/136092522.db2.gz PMGIVQBHLXEHSR-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nn(C)cc2Cl)CC[C@H]1O ZINC000335395730 136092523 /nfs/dbraw/zinc/09/25/23/136092523.db2.gz PMGIVQBHLXEHSR-GZMMTYOYSA-N 1 2 243.738 1.276 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335546981 136097084 /nfs/dbraw/zinc/09/70/84/136097084.db2.gz AVUUHRJONWGTEG-JTQLQIEISA-N 1 2 244.298 1.090 20 0 BDADLO CN(CC1CCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547974 136097088 /nfs/dbraw/zinc/09/70/88/136097088.db2.gz MIDJLDUQDJGPJQ-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335550394 136097685 /nfs/dbraw/zinc/09/76/85/136097685.db2.gz YOSVCEJLRIFGIL-HSOILSAZSA-N 1 2 233.315 1.360 20 0 BDADLO CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335558061 136100077 /nfs/dbraw/zinc/10/00/77/136100077.db2.gz KDCOHRPDPYMKDP-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@@H]1CC1(C)C ZINC000335565489 136107336 /nfs/dbraw/zinc/10/73/36/136107336.db2.gz YYTNAHGAOHLHDA-BDAKNGLRSA-N 1 2 239.344 1.400 20 0 BDADLO Cc1ccc(NC(=O)C2CC(C)(O)C2)c(C)[nH+]1 ZINC000335576341 136111095 /nfs/dbraw/zinc/11/10/95/136111095.db2.gz BZMOGNBNQUBXIV-UHFFFAOYSA-N 1 2 234.299 1.798 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H](COC)C1CC1 ZINC000181572922 397810333 /nfs/dbraw/zinc/81/03/33/397810333.db2.gz MGZDUPZJBSAWEO-WDEREUQCSA-N 1 2 229.320 1.343 20 0 BDADLO CCOCC[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649573231 397965134 /nfs/dbraw/zinc/96/51/34/397965134.db2.gz ZCZVPNINMNIHRR-UHFFFAOYSA-N 1 2 237.347 1.688 20 0 BDADLO CCOCC[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649573231 397965137 /nfs/dbraw/zinc/96/51/37/397965137.db2.gz ZCZVPNINMNIHRR-UHFFFAOYSA-N 1 2 237.347 1.688 20 0 BDADLO C[C@@H](Cc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114336059 397931141 /nfs/dbraw/zinc/93/11/41/397931141.db2.gz WPBLLLFPORDEJH-NSHDSACASA-N 1 2 243.310 1.905 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000649552011 397945823 /nfs/dbraw/zinc/94/58/23/397945823.db2.gz UCZQQQMNNBZHNI-RKDXNWHRSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000649552011 397945825 /nfs/dbraw/zinc/94/58/25/397945825.db2.gz UCZQQQMNNBZHNI-RKDXNWHRSA-N 1 2 227.333 1.456 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649578618 397967349 /nfs/dbraw/zinc/96/73/49/397967349.db2.gz XPNWVIGPBHNXFF-AWEZNQCLSA-N 1 2 249.358 1.686 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CCO1 ZINC000649578618 397967350 /nfs/dbraw/zinc/96/73/50/397967350.db2.gz XPNWVIGPBHNXFF-AWEZNQCLSA-N 1 2 249.358 1.686 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)C[C@@H](O)C2)[nH+]1 ZINC000649563809 397952998 /nfs/dbraw/zinc/95/29/98/397952998.db2.gz ISZSPCKLDKQYJX-PSASIEDQSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000271433016 397967841 /nfs/dbraw/zinc/96/78/41/397967841.db2.gz OWAANGXQDCHJCU-VXNVDRBHSA-N 1 2 223.276 1.015 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000110127494 397902752 /nfs/dbraw/zinc/90/27/52/397902752.db2.gz NYRJSDSNRYWAMI-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1[nH]c(C(=O)NCC2CCCC2)c[nH+]1 ZINC000264666386 397922690 /nfs/dbraw/zinc/92/26/90/397922690.db2.gz IMZIEYCDFCEWHV-UHFFFAOYSA-N 1 2 207.277 1.638 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000649530631 397923014 /nfs/dbraw/zinc/92/30/14/397923014.db2.gz BXZOKNISYFVCMO-FRRDWIJNSA-N 1 2 245.326 1.602 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccoc1C ZINC000414392621 397925879 /nfs/dbraw/zinc/92/58/79/397925879.db2.gz BSOLTFDDAJQLMG-LBPRGKRZSA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccoc1C ZINC000414392621 397925881 /nfs/dbraw/zinc/92/58/81/397925881.db2.gz BSOLTFDDAJQLMG-LBPRGKRZSA-N 1 2 236.315 1.689 20 0 BDADLO Cc1ccnc(C[N@H+](C2CC2)C2COC2)c1 ZINC000649698503 398047030 /nfs/dbraw/zinc/04/70/30/398047030.db2.gz RFIVGFUGQOXABJ-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccnc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000649698503 398047036 /nfs/dbraw/zinc/04/70/36/398047036.db2.gz RFIVGFUGQOXABJ-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[C@H]1C)C2 ZINC000365082678 398022452 /nfs/dbraw/zinc/02/24/52/398022452.db2.gz NTSLJADINBBVSR-MIMYLULJSA-N 1 2 233.315 1.279 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC=CCC1 ZINC000277749358 398032309 /nfs/dbraw/zinc/03/23/09/398032309.db2.gz RKXTVFPRMUAGRC-JTQLQIEISA-N 1 2 219.288 1.567 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC=CCC1 ZINC000277749358 398032310 /nfs/dbraw/zinc/03/23/10/398032310.db2.gz RKXTVFPRMUAGRC-JTQLQIEISA-N 1 2 219.288 1.567 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCc2ccccc21 ZINC000278582319 398039009 /nfs/dbraw/zinc/03/90/09/398039009.db2.gz JPSJKURKHMJHAU-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(CC(F)F)C1CC1 ZINC000278761664 398041554 /nfs/dbraw/zinc/04/15/54/398041554.db2.gz GACSYOSORINUEH-UHFFFAOYSA-N 1 2 243.257 1.517 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000408169213 397971489 /nfs/dbraw/zinc/97/14/89/397971489.db2.gz OLXFBOCJSQDLGE-VHSXEESVSA-N 1 2 234.299 1.974 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000408169214 397971514 /nfs/dbraw/zinc/97/15/14/397971514.db2.gz OLXFBOCJSQDLGE-ZJUUUORDSA-N 1 2 234.299 1.974 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000408169212 397971730 /nfs/dbraw/zinc/97/17/30/397971730.db2.gz OLXFBOCJSQDLGE-UWVGGRQHSA-N 1 2 234.299 1.974 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000650215227 397989022 /nfs/dbraw/zinc/98/90/22/397989022.db2.gz HHESAVFDHSKIRQ-SNVBAGLBSA-N 1 2 205.248 1.754 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000650215227 397989028 /nfs/dbraw/zinc/98/90/28/397989028.db2.gz HHESAVFDHSKIRQ-SNVBAGLBSA-N 1 2 205.248 1.754 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc[nH]n1 ZINC000649718261 398060360 /nfs/dbraw/zinc/06/03/60/398060360.db2.gz WMBKRZJKELRTEN-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc[nH]n1 ZINC000649718261 398060363 /nfs/dbraw/zinc/06/03/63/398060363.db2.gz WMBKRZJKELRTEN-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cnnn1C ZINC000649718281 398060419 /nfs/dbraw/zinc/06/04/19/398060419.db2.gz WTRIBYMAVAJYEZ-PWSUYJOCSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cnnn1C ZINC000649718281 398060421 /nfs/dbraw/zinc/06/04/21/398060421.db2.gz WTRIBYMAVAJYEZ-PWSUYJOCSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cnns1 ZINC000649718303 398060718 /nfs/dbraw/zinc/06/07/18/398060718.db2.gz XIQANTWTZJFPOH-VIFPVBQESA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cnns1 ZINC000649718303 398060721 /nfs/dbraw/zinc/06/07/21/398060721.db2.gz XIQANTWTZJFPOH-VIFPVBQESA-N 1 2 241.360 1.928 20 0 BDADLO CCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000649722040 398065515 /nfs/dbraw/zinc/06/55/15/398065515.db2.gz HHKMMPJBYCFHAB-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000649722040 398065520 /nfs/dbraw/zinc/06/55/20/398065520.db2.gz HHKMMPJBYCFHAB-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccno2)[C@@H](C)CO1 ZINC000649729662 398067744 /nfs/dbraw/zinc/06/77/44/398067744.db2.gz DCYTXEOZWNJICR-UWVGGRQHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccno2)[C@@H](C)CO1 ZINC000649729662 398067747 /nfs/dbraw/zinc/06/77/47/398067747.db2.gz DCYTXEOZWNJICR-UWVGGRQHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC(C)C)[C@@H](C)CO1 ZINC000649730389 398068200 /nfs/dbraw/zinc/06/82/00/398068200.db2.gz QVSHFXNUMCUBPC-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)[C@@H](C)CO1 ZINC000649730389 398068205 /nfs/dbraw/zinc/06/82/05/398068205.db2.gz QVSHFXNUMCUBPC-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CCc1cc(N[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000052005936 398068151 /nfs/dbraw/zinc/06/81/51/398068151.db2.gz KYRPHDGXJXKIMU-MNOVXSKESA-N 1 2 221.304 1.754 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2CC)[C@H](C)CO1 ZINC000649731069 398069942 /nfs/dbraw/zinc/06/99/42/398069942.db2.gz CEEGSXULWQBSPP-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO O=C(CCCC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000643233347 398086962 /nfs/dbraw/zinc/08/69/62/398086962.db2.gz HHKWFGSGDVCKFX-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO O=C(CCCC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000643233347 398086965 /nfs/dbraw/zinc/08/69/65/398086965.db2.gz HHKWFGSGDVCKFX-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000644842961 398095977 /nfs/dbraw/zinc/09/59/77/398095977.db2.gz UUCRAEBGXDSECX-UHFFFAOYSA-N 1 2 246.314 1.260 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000644842961 398095978 /nfs/dbraw/zinc/09/59/78/398095978.db2.gz UUCRAEBGXDSECX-UHFFFAOYSA-N 1 2 246.314 1.260 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1n[nH]c2ccccc21 ZINC000644842961 398095981 /nfs/dbraw/zinc/09/59/81/398095981.db2.gz UUCRAEBGXDSECX-UHFFFAOYSA-N 1 2 246.314 1.260 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1n[nH]c2ccccc21 ZINC000644842961 398095984 /nfs/dbraw/zinc/09/59/84/398095984.db2.gz UUCRAEBGXDSECX-UHFFFAOYSA-N 1 2 246.314 1.260 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccccc1 ZINC000116285425 398090324 /nfs/dbraw/zinc/09/03/24/398090324.db2.gz UTQKXYNGFNGDOP-OLZOCXBDSA-N 1 2 249.310 1.449 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccccc1 ZINC000116285425 398090326 /nfs/dbraw/zinc/09/03/26/398090326.db2.gz UTQKXYNGFNGDOP-OLZOCXBDSA-N 1 2 249.310 1.449 20 0 BDADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)C(C)(C)C ZINC000565062539 398053844 /nfs/dbraw/zinc/05/38/44/398053844.db2.gz MAFCCGUFIXEOTM-SECBINFHSA-N 1 2 238.335 1.654 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)O)C1CCCCC1 ZINC000309610962 398103959 /nfs/dbraw/zinc/10/39/59/398103959.db2.gz BIUPIKJBWPRCNG-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO C[N@@H+](Cc1cocn1)C[C@@H](O)Cc1ccccc1 ZINC000293945605 398117986 /nfs/dbraw/zinc/11/79/86/398117986.db2.gz OOPWAALWVMWBIJ-AWEZNQCLSA-N 1 2 246.310 1.710 20 0 BDADLO C[N@H+](Cc1cocn1)C[C@@H](O)Cc1ccccc1 ZINC000293945605 398117988 /nfs/dbraw/zinc/11/79/88/398117988.db2.gz OOPWAALWVMWBIJ-AWEZNQCLSA-N 1 2 246.310 1.710 20 0 BDADLO COc1nccnc1C[NH2+]Cc1ccc(C)nc1 ZINC000294331763 398125320 /nfs/dbraw/zinc/12/53/20/398125320.db2.gz XVTDGVWKSDOFPI-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649827051 398129226 /nfs/dbraw/zinc/12/92/26/398129226.db2.gz HFQBDJWIDBWAGB-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649827051 398129230 /nfs/dbraw/zinc/12/92/30/398129230.db2.gz HFQBDJWIDBWAGB-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649209181 398129320 /nfs/dbraw/zinc/12/93/20/398129320.db2.gz FONHPHJOEBBIFB-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO CC(C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294280905 167017166 /nfs/dbraw/zinc/01/71/66/167017166.db2.gz GNQJYWSBVJCTDC-SECBINFHSA-N 1 2 224.308 1.337 20 0 BDADLO CC(C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294280905 167017170 /nfs/dbraw/zinc/01/71/70/167017170.db2.gz GNQJYWSBVJCTDC-SECBINFHSA-N 1 2 224.308 1.337 20 0 BDADLO CC(C)[N@H+]1CC[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324883 974855868 /nfs/dbraw/zinc/85/58/68/974855868.db2.gz VZUVQJQDGWYXFY-VIFPVBQESA-N 1 2 223.276 1.044 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCSC2)no1 ZINC000668798759 487557823 /nfs/dbraw/zinc/55/78/23/487557823.db2.gz QPQYTPIFTKRDRZ-SECBINFHSA-N 1 2 227.333 1.563 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCSC2)no1 ZINC000668798759 487557827 /nfs/dbraw/zinc/55/78/27/487557827.db2.gz QPQYTPIFTKRDRZ-SECBINFHSA-N 1 2 227.333 1.563 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)C1(CO)CCC1 ZINC000668801166 487563890 /nfs/dbraw/zinc/56/38/90/487563890.db2.gz AGMQZIFEKMCXFG-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)C1(CO)CCC1 ZINC000668801166 487563893 /nfs/dbraw/zinc/56/38/93/487563893.db2.gz AGMQZIFEKMCXFG-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO CC(C)OCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000267158277 167187556 /nfs/dbraw/zinc/18/75/56/167187556.db2.gz SJDDAMIHTSVFSN-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO CCn1cc(C[NH2+]Cc2cnccc2C)nn1 ZINC000404460349 487569478 /nfs/dbraw/zinc/56/94/78/487569478.db2.gz SVYLQLBLQHNCAH-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO COC[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000674413599 487571595 /nfs/dbraw/zinc/57/15/95/487571595.db2.gz MVAOPQFITUDHHG-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353173879 167262540 /nfs/dbraw/zinc/26/25/40/167262540.db2.gz PSJUQNCZDPRPMN-VHSXEESVSA-N 1 2 237.290 1.502 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353173879 167262544 /nfs/dbraw/zinc/26/25/44/167262544.db2.gz PSJUQNCZDPRPMN-VHSXEESVSA-N 1 2 237.290 1.502 20 0 BDADLO CC(C)OC[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000373488349 167263340 /nfs/dbraw/zinc/26/33/40/167263340.db2.gz CWBMKWQSZKWEGU-ZDUSSCGKSA-N 1 2 239.315 1.905 20 0 BDADLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000373488349 167263343 /nfs/dbraw/zinc/26/33/43/167263343.db2.gz CWBMKWQSZKWEGU-ZDUSSCGKSA-N 1 2 239.315 1.905 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+]1CCC=C(F)C1 ZINC000359517394 167267624 /nfs/dbraw/zinc/26/76/24/167267624.db2.gz VYIRCIZOYWBYEM-LLVKDONJSA-N 1 2 217.284 1.331 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)c2ccncc2)CC1=O ZINC000680436099 487593678 /nfs/dbraw/zinc/59/36/78/487593678.db2.gz NMISQRRFSBWRCT-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO CCN1CC[N@H+]([C@H](C)c2ccncc2)CC1=O ZINC000680436099 487593682 /nfs/dbraw/zinc/59/36/82/487593682.db2.gz NMISQRRFSBWRCT-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO NC(=O)C[C@H]1CCC[N@H+](CC(F)F)CC1 ZINC000671506146 487598099 /nfs/dbraw/zinc/59/80/99/487598099.db2.gz RCYQWBUWTYBTDV-QMMMGPOBSA-N 1 2 220.263 1.229 20 0 BDADLO NC(=O)C[C@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000671506146 487598105 /nfs/dbraw/zinc/59/81/05/487598105.db2.gz RCYQWBUWTYBTDV-QMMMGPOBSA-N 1 2 220.263 1.229 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccn(C)n1 ZINC000680467615 487601146 /nfs/dbraw/zinc/60/11/46/487601146.db2.gz RCIMUSCOHXAMKL-GFCCVEGCSA-N 1 2 245.330 1.759 20 0 BDADLO CCC(C)(C)OCCNC(=O)Cn1cc[nH+]c1 ZINC000556703195 322920133 /nfs/dbraw/zinc/92/01/33/322920133.db2.gz OYKJQHGABDEYPH-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO c1coc([C@@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)c1 ZINC000674695201 487607168 /nfs/dbraw/zinc/60/71/68/487607168.db2.gz RFWCTBUHLVNLBW-YPMHNXCESA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)c1 ZINC000674695201 487607171 /nfs/dbraw/zinc/60/71/71/487607171.db2.gz RFWCTBUHLVNLBW-YPMHNXCESA-N 1 2 237.299 1.832 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1C2CCC1CC2 ZINC000526972685 487608268 /nfs/dbraw/zinc/60/82/68/487608268.db2.gz AVWKRYFFFGMTSI-UHFFFAOYSA-N 1 2 233.315 1.506 20 0 BDADLO C[N@H+](CC1=CCSC1)Cc1ncccn1 ZINC000662266326 409564394 /nfs/dbraw/zinc/56/43/94/409564394.db2.gz HGISWPYAHUTOKE-UHFFFAOYSA-N 1 2 221.329 1.582 20 0 BDADLO C[N@@H+](CC1=CCSC1)Cc1ncccn1 ZINC000662266326 409564401 /nfs/dbraw/zinc/56/44/01/409564401.db2.gz HGISWPYAHUTOKE-UHFFFAOYSA-N 1 2 221.329 1.582 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000662369079 409676890 /nfs/dbraw/zinc/67/68/90/409676890.db2.gz LUACQFAOVKJFJT-SNVBAGLBSA-N 1 2 231.246 1.266 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000662369079 409676896 /nfs/dbraw/zinc/67/68/96/409676896.db2.gz LUACQFAOVKJFJT-SNVBAGLBSA-N 1 2 231.246 1.266 20 0 BDADLO Cc1noc(C[N@H+](C2CC2)C2(CO)CCC2)n1 ZINC000660771776 409730188 /nfs/dbraw/zinc/73/01/88/409730188.db2.gz TYKDZAWIAVYFQA-UHFFFAOYSA-N 1 2 237.303 1.257 20 0 BDADLO Cc1noc(C[N@@H+](C2CC2)C2(CO)CCC2)n1 ZINC000660771776 409730193 /nfs/dbraw/zinc/73/01/93/409730193.db2.gz TYKDZAWIAVYFQA-UHFFFAOYSA-N 1 2 237.303 1.257 20 0 BDADLO CC(C)C[C@H](C)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843043 409835844 /nfs/dbraw/zinc/83/58/44/409835844.db2.gz SMYNARFXIGNIDR-VIFPVBQESA-N 1 2 227.308 1.889 20 0 BDADLO CC(C)C[C@H](C)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843043 409835850 /nfs/dbraw/zinc/83/58/50/409835850.db2.gz SMYNARFXIGNIDR-VIFPVBQESA-N 1 2 227.308 1.889 20 0 BDADLO CCC(=O)N1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000660862429 409883069 /nfs/dbraw/zinc/88/30/69/409883069.db2.gz QFLRTXMYCOVJIZ-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO CCC(=O)N1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000660862429 409883078 /nfs/dbraw/zinc/88/30/78/409883078.db2.gz QFLRTXMYCOVJIZ-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(OC)no2)[C@H](C)CO1 ZINC000660915331 409964617 /nfs/dbraw/zinc/96/46/17/409964617.db2.gz ZKHSHAMGEBRVTF-NXEZZACHSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(OC)no2)[C@H](C)CO1 ZINC000660915331 409964620 /nfs/dbraw/zinc/96/46/20/409964620.db2.gz ZKHSHAMGEBRVTF-NXEZZACHSA-N 1 2 240.303 1.683 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046386186 409968939 /nfs/dbraw/zinc/96/89/39/409968939.db2.gz QBTYSYNAQCCKEU-GXSJLCMTSA-N 1 2 233.315 1.420 20 0 BDADLO CCc1coc(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000655397807 410198989 /nfs/dbraw/zinc/19/89/89/410198989.db2.gz IHBWDOPWFMNEEQ-SNVBAGLBSA-N 1 2 237.303 1.660 20 0 BDADLO CCc1coc(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000655397807 410198993 /nfs/dbraw/zinc/19/89/93/410198993.db2.gz IHBWDOPWFMNEEQ-SNVBAGLBSA-N 1 2 237.303 1.660 20 0 BDADLO C[C@@H](NC(=O)C1CCC(O)CC1)c1[nH]cc[nH+]1 ZINC000655403445 410208166 /nfs/dbraw/zinc/20/81/66/410208166.db2.gz AUXUWUNXGFCOOG-XNWIYYODSA-N 1 2 237.303 1.138 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171340 410318072 /nfs/dbraw/zinc/31/80/72/410318072.db2.gz NBQUPDAEKFEJSR-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171340 410318077 /nfs/dbraw/zinc/31/80/77/410318077.db2.gz NBQUPDAEKFEJSR-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C)c(F)c(NCc2ccc[nH+]c2N)n1 ZINC000663963723 410407773 /nfs/dbraw/zinc/40/77/73/410407773.db2.gz YCEOSKAJHLPRKN-UHFFFAOYSA-N 1 2 247.277 1.822 20 0 BDADLO c1nc(N2C[C@@H]3CCCC[C@@H]32)c2c([nH+]1)NCCO2 ZINC000664080219 410455912 /nfs/dbraw/zinc/45/59/12/410455912.db2.gz OSARJJKKCVVCMD-UWVGGRQHSA-N 1 2 246.314 1.660 20 0 BDADLO c1nc2c(c(N3C[C@@H]4CCCC[C@@H]43)[nH+]1)OCCN2 ZINC000664080219 410455921 /nfs/dbraw/zinc/45/59/21/410455921.db2.gz OSARJJKKCVVCMD-UWVGGRQHSA-N 1 2 246.314 1.660 20 0 BDADLO C[N@H+](Cc1noc2c1CCCC2)C1CC(O)C1 ZINC000680581251 487616674 /nfs/dbraw/zinc/61/66/74/487616674.db2.gz QCNSEBAQYYXIGV-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO C[N@@H+](Cc1noc2c1CCCC2)C1CC(O)C1 ZINC000680581251 487616676 /nfs/dbraw/zinc/61/66/76/487616676.db2.gz QCNSEBAQYYXIGV-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@]1(C)CC1(F)F ZINC000664395742 410576348 /nfs/dbraw/zinc/57/63/48/410576348.db2.gz GPCKHICVZHOJQF-VIFPVBQESA-N 1 2 244.245 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@]1(C)CC1(F)F ZINC000664395742 410576355 /nfs/dbraw/zinc/57/63/55/410576355.db2.gz GPCKHICVZHOJQF-VIFPVBQESA-N 1 2 244.245 1.525 20 0 BDADLO c1cn(-c2cc(N3CC[C@H]4C[C@H]4C3)ncn2)c[nH+]1 ZINC000664526314 410594187 /nfs/dbraw/zinc/59/41/87/410594187.db2.gz VAZPIVFCULTEKL-QWRGUYRKSA-N 1 2 241.298 1.509 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H]2COC[C@H]2C1 ZINC000664553900 410599619 /nfs/dbraw/zinc/59/96/19/410599619.db2.gz RISOWPVBUAFNNV-GHMZBOCLSA-N 1 2 249.314 1.266 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC000661405117 410617856 /nfs/dbraw/zinc/61/78/56/410617856.db2.gz BQLPPCFXIUIBOS-VWYCJHECSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC000661405117 410617863 /nfs/dbraw/zinc/61/78/63/410617863.db2.gz BQLPPCFXIUIBOS-VWYCJHECSA-N 1 2 249.301 1.503 20 0 BDADLO CC(C)(C)CCNC(=O)Cn1cc[nH+]c1 ZINC000076830263 166568086 /nfs/dbraw/zinc/56/80/86/166568086.db2.gz BPQTYXDTGRVSLZ-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO O[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)CC1(F)F ZINC000661414263 410624633 /nfs/dbraw/zinc/62/46/33/410624633.db2.gz SCTLFZMNJZTMQA-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)CC1(F)F ZINC000661414263 410624636 /nfs/dbraw/zinc/62/46/36/410624636.db2.gz SCTLFZMNJZTMQA-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nnc(C[N@@H+](C)C2CC(OC(C)C)C2)o1 ZINC000661528695 410726136 /nfs/dbraw/zinc/72/61/36/410726136.db2.gz IHEAGLSKTCDOCM-UHFFFAOYSA-N 1 2 239.319 1.766 20 0 BDADLO Cc1nnc(C[N@H+](C)C2CC(OC(C)C)C2)o1 ZINC000661528695 410726141 /nfs/dbraw/zinc/72/61/41/410726141.db2.gz IHEAGLSKTCDOCM-UHFFFAOYSA-N 1 2 239.319 1.766 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)CCC(C)C)o1 ZINC000661529021 410728851 /nfs/dbraw/zinc/72/88/51/410728851.db2.gz HQDRGCBESSQDQN-NSHDSACASA-N 1 2 241.335 1.607 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H](O)CCC(C)C)o1 ZINC000661529021 410728856 /nfs/dbraw/zinc/72/88/56/410728856.db2.gz HQDRGCBESSQDQN-NSHDSACASA-N 1 2 241.335 1.607 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CC[C@@H](C)O2)o1 ZINC000661529345 410730620 /nfs/dbraw/zinc/73/06/20/410730620.db2.gz VZFWVSAEFMKUQY-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CC[C@@H](C)O2)o1 ZINC000661529345 410730624 /nfs/dbraw/zinc/73/06/24/410730624.db2.gz VZFWVSAEFMKUQY-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000651203925 410861194 /nfs/dbraw/zinc/86/11/94/410861194.db2.gz QSBRKHLGKAXECQ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000651203925 410861197 /nfs/dbraw/zinc/86/11/97/410861197.db2.gz QSBRKHLGKAXECQ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651223390 410867916 /nfs/dbraw/zinc/86/79/16/410867916.db2.gz FHVPQPCMGCNEIT-LLVKDONJSA-N 1 2 247.342 1.630 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cnoc1 ZINC000651219755 410869650 /nfs/dbraw/zinc/86/96/50/410869650.db2.gz HFEXGSMSEIRJBD-UHFFFAOYSA-N 1 2 246.270 1.389 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651255474 410878911 /nfs/dbraw/zinc/87/89/11/410878911.db2.gz WRONAUAIWRLOHO-NEPJUHHUSA-N 1 2 247.342 1.863 20 0 BDADLO CCCN(c1cc(CO)cc[nH+]1)C1CC1 ZINC000040877333 410897009 /nfs/dbraw/zinc/89/70/09/410897009.db2.gz CQQPNUULPDPQMQ-UHFFFAOYSA-N 1 2 206.289 1.953 20 0 BDADLO CC(C)N1CC[C@H]([N@H+](C)Cc2ccco2)C1=O ZINC000175033211 167024954 /nfs/dbraw/zinc/02/49/54/167024954.db2.gz MNUHTVWDPVPWLZ-LBPRGKRZSA-N 1 2 236.315 1.721 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000175033211 167024956 /nfs/dbraw/zinc/02/49/56/167024956.db2.gz MNUHTVWDPVPWLZ-LBPRGKRZSA-N 1 2 236.315 1.721 20 0 BDADLO CC(C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000170742414 167068042 /nfs/dbraw/zinc/06/80/42/167068042.db2.gz YANAVOHEZHHWJN-UHFFFAOYSA-N 1 2 236.319 1.638 20 0 BDADLO CC(C)OCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269005178 167177912 /nfs/dbraw/zinc/17/79/12/167177912.db2.gz WWDTVNKEVDHETM-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CC(C)OCCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000346274047 167213261 /nfs/dbraw/zinc/21/32/61/167213261.db2.gz IVTJRCLDKJVHOI-SNVBAGLBSA-N 1 2 241.339 1.018 20 0 BDADLO CC(C)OCCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000346274047 167213265 /nfs/dbraw/zinc/21/32/65/167213265.db2.gz IVTJRCLDKJVHOI-SNVBAGLBSA-N 1 2 241.339 1.018 20 0 BDADLO CC(C)OCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279209322 167219260 /nfs/dbraw/zinc/21/92/60/167219260.db2.gz NQMIEPPLFBGERV-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000359517394 167267621 /nfs/dbraw/zinc/26/76/21/167267621.db2.gz VYIRCIZOYWBYEM-LLVKDONJSA-N 1 2 217.284 1.331 20 0 BDADLO CC(C)OCc1nc([C@H](C)[NH2+]CCCO)no1 ZINC000352707460 167271150 /nfs/dbraw/zinc/27/11/50/167271150.db2.gz RPLIQENQFFSXTN-VIFPVBQESA-N 1 2 243.307 1.028 20 0 BDADLO CC(C)OC[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000372115183 167271658 /nfs/dbraw/zinc/27/16/58/167271658.db2.gz AIKSJIVKJMULNS-GFCCVEGCSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)OC[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000372115183 167271660 /nfs/dbraw/zinc/27/16/60/167271660.db2.gz AIKSJIVKJMULNS-GFCCVEGCSA-N 1 2 239.319 1.036 20 0 BDADLO CC(C)Sc1[nH+]cnc2c1cnn2C ZINC000071822385 167338151 /nfs/dbraw/zinc/33/81/51/167338151.db2.gz CAADACWWGJFTKV-UHFFFAOYSA-N 1 2 208.290 1.864 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000287393400 167363340 /nfs/dbraw/zinc/36/33/40/167363340.db2.gz SIDRYOYMMRDNGT-SNVBAGLBSA-N 1 2 223.320 1.845 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccs1 ZINC000672157130 487619529 /nfs/dbraw/zinc/61/95/29/487619529.db2.gz ZWAZBHPJWDPWAZ-VIFPVBQESA-N 1 2 247.323 1.689 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccco1 ZINC000042148277 410969507 /nfs/dbraw/zinc/96/95/07/410969507.db2.gz ARVDLZCXCIOKRK-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccco1 ZINC000042148277 410969512 /nfs/dbraw/zinc/96/95/12/410969512.db2.gz ARVDLZCXCIOKRK-UHFFFAOYSA-N 1 2 210.277 1.190 20 0 BDADLO CC(C)[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)CS1 ZINC000336758066 167498069 /nfs/dbraw/zinc/49/80/69/167498069.db2.gz KJLSWWIZXPDWFP-RKDXNWHRSA-N 1 2 239.331 1.734 20 0 BDADLO COC[C@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674791685 487619769 /nfs/dbraw/zinc/61/97/69/487619769.db2.gz ZCHYPYHIQPLTOK-SNVBAGLBSA-N 1 2 247.298 1.945 20 0 BDADLO Cc1cc(N[C@H](CO)CCF)nc(C2CC2)[nH+]1 ZINC000651462115 411044883 /nfs/dbraw/zinc/04/48/83/411044883.db2.gz RENMEGVKBCHJGV-JTQLQIEISA-N 1 2 239.294 1.217 20 0 BDADLO OC[C@H](CCF)Nc1cc[nH+]c2ccncc12 ZINC000651463422 411048267 /nfs/dbraw/zinc/04/82/67/411048267.db2.gz SWUQJXOULIXCEJ-VIFPVBQESA-N 1 2 235.262 1.184 20 0 BDADLO C[C@@H](CCO)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000651471001 411050792 /nfs/dbraw/zinc/05/07/92/411050792.db2.gz HARYYJKPNQKAJC-VIFPVBQESA-N 1 2 219.288 1.770 20 0 BDADLO C[C@@H](CCO)N(C)c1cc[nH+]c2ccncc21 ZINC000651470916 411051298 /nfs/dbraw/zinc/05/12/98/411051298.db2.gz CMLHUWFNCLBHMS-JTQLQIEISA-N 1 2 231.299 1.837 20 0 BDADLO Cc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000212311887 411146193 /nfs/dbraw/zinc/14/61/93/411146193.db2.gz LUFUIZRDNLYCDW-NSHDSACASA-N 1 2 229.283 1.307 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCO[C@@H](C2CC2)C1 ZINC000493698981 411146593 /nfs/dbraw/zinc/14/65/93/411146593.db2.gz XJYPFWVKSQEBBN-PGLGOXFNSA-N 1 2 247.298 1.060 20 0 BDADLO COCC1(O)C[NH+](Cc2cc3cnccc3o2)C1 ZINC000651828410 411146660 /nfs/dbraw/zinc/14/66/60/411146660.db2.gz HOBBNQWYMQJJKV-UHFFFAOYSA-N 1 2 248.282 1.021 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651947209 411158595 /nfs/dbraw/zinc/15/85/95/411158595.db2.gz ZOYYLNNEEIPGLD-PHIMTYICSA-N 1 2 247.342 1.771 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000653664295 411161443 /nfs/dbraw/zinc/16/14/43/411161443.db2.gz UWUGDWNMBJKUMO-LLVKDONJSA-N 1 2 244.335 1.666 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CC[C@](F)(CO)C1 ZINC000653664295 411161445 /nfs/dbraw/zinc/16/14/45/411161445.db2.gz UWUGDWNMBJKUMO-LLVKDONJSA-N 1 2 244.335 1.666 20 0 BDADLO CCC[C@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047662308 411161447 /nfs/dbraw/zinc/16/14/47/411161447.db2.gz HESIDXNVNZEKLC-WDEREUQCSA-N 1 2 238.335 1.759 20 0 BDADLO CC(C)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000651569800 411124635 /nfs/dbraw/zinc/12/46/35/411124635.db2.gz NCBGBMZLTRKGCS-NSHDSACASA-N 1 2 235.331 1.949 20 0 BDADLO COc1c(C)[nH+]cnc1NCCCn1cccn1 ZINC000656107890 411179355 /nfs/dbraw/zinc/17/93/55/411179355.db2.gz AZSKUMZUVCWZOT-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)Cc1cc(C)on1 ZINC000656108008 411179370 /nfs/dbraw/zinc/17/93/70/411179370.db2.gz IZTKTTDWKMZNCH-UHFFFAOYSA-N 1 2 248.286 1.726 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCOC(C)(C)C1 ZINC000656107863 411180025 /nfs/dbraw/zinc/18/00/25/411180025.db2.gz AAOVYMDMXSDBMG-UHFFFAOYSA-N 1 2 221.304 1.709 20 0 BDADLO CCC[C@@H](O)CNc1nc[nH+]c(C)c1OC ZINC000656125635 411183241 /nfs/dbraw/zinc/18/32/41/411183241.db2.gz VAYDUSMAKLWTDE-SECBINFHSA-N 1 2 225.292 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](C)C[C@@H](C)O ZINC000656128388 411184189 /nfs/dbraw/zinc/18/41/89/411184189.db2.gz QUSXQOBRNGAKHL-RKDXNWHRSA-N 1 2 239.319 1.613 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC[C@H](C)O ZINC000656129238 411184396 /nfs/dbraw/zinc/18/43/96/411184396.db2.gz YAEPWBPLMOAFFC-QMMMGPOBSA-N 1 2 225.292 1.001 20 0 BDADLO CC[C@H](CCO)CNc1nc[nH+]c(C)c1OC ZINC000656145385 411186266 /nfs/dbraw/zinc/18/62/66/411186266.db2.gz SPRUAKNOPZJNIR-SNVBAGLBSA-N 1 2 239.319 1.614 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cnn(C)c1C ZINC000656150466 411187417 /nfs/dbraw/zinc/18/74/17/411187417.db2.gz UIHMJMGSGAXBCT-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C)o2)[C@H]1OC ZINC000300713407 411188431 /nfs/dbraw/zinc/18/84/31/411188431.db2.gz HKIKQDKCCZGQAC-CKYFFXLPSA-N 1 2 240.303 1.265 20 0 BDADLO COCC1=CCN(c2nc[nH+]c(C)c2OC)CC1 ZINC000656164504 411189984 /nfs/dbraw/zinc/18/99/84/411189984.db2.gz JWSNELSLYMLCHG-UHFFFAOYSA-N 1 2 249.314 1.577 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCOC[C@H]1C ZINC000656178926 411193319 /nfs/dbraw/zinc/19/33/19/411193319.db2.gz GAGVIIJKHXYTGZ-SCZZXKLOSA-N 1 2 237.303 1.631 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CC[C@H](O)C1 ZINC000656175585 411193475 /nfs/dbraw/zinc/19/34/75/411193475.db2.gz ILCRSWGWKCDQGN-ZJUUUORDSA-N 1 2 237.303 1.367 20 0 BDADLO C[C@H](Cn1cncn1)[NH2+]C1(C(F)F)CC1 ZINC000658002404 411194315 /nfs/dbraw/zinc/19/43/15/411194315.db2.gz BLZFRVSUDRZMGJ-SSDOTTSWSA-N 1 2 216.235 1.054 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H](CO)C(C)C ZINC000656188453 411197341 /nfs/dbraw/zinc/19/73/41/411197341.db2.gz XDGHHHPSVINMEM-JTQLQIEISA-N 1 2 239.319 1.470 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@H](O)CC1 ZINC000656192541 411198241 /nfs/dbraw/zinc/19/82/41/411198241.db2.gz ZSVJNAOKJYZIFM-JTQLQIEISA-N 1 2 237.303 1.145 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@@H](C)F ZINC000656191890 411198744 /nfs/dbraw/zinc/19/87/44/411198744.db2.gz CVQGUHVYVIRYRG-SSDOTTSWSA-N 1 2 213.256 1.954 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CCCO1 ZINC000061920741 411200635 /nfs/dbraw/zinc/20/06/35/411200635.db2.gz UHECMUCAGVRFGU-SNVBAGLBSA-N 1 2 222.288 1.189 20 0 BDADLO CCn1nncc1C[N@H+](CC)Cc1ccoc1 ZINC000656430657 411245313 /nfs/dbraw/zinc/24/53/13/411245313.db2.gz PALJYHZUNHSRLY-UHFFFAOYSA-N 1 2 234.303 1.913 20 0 BDADLO CCn1nncc1C[N@@H+](CC)Cc1ccoc1 ZINC000656430657 411245316 /nfs/dbraw/zinc/24/53/16/411245316.db2.gz PALJYHZUNHSRLY-UHFFFAOYSA-N 1 2 234.303 1.913 20 0 BDADLO c1ccc2c(C[NH2+][C@@H]3CCOC3)n[nH]c2c1 ZINC000309701978 411214068 /nfs/dbraw/zinc/21/40/68/411214068.db2.gz TYZZSHFTGVWFQE-SECBINFHSA-N 1 2 217.272 1.441 20 0 BDADLO COCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000571723952 411216245 /nfs/dbraw/zinc/21/62/45/411216245.db2.gz NAUZUPWZXVDGSI-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C[C@@H](C)O)C2CC2)[nH]1 ZINC000653904487 411220626 /nfs/dbraw/zinc/22/06/26/411220626.db2.gz UYMQLRGCLRRWFW-SECBINFHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+](C[C@@H](C)O)C2CC2)[nH]1 ZINC000653904487 411220628 /nfs/dbraw/zinc/22/06/28/411220628.db2.gz UYMQLRGCLRRWFW-SECBINFHSA-N 1 2 238.335 1.273 20 0 BDADLO Cn1nccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265528 411221919 /nfs/dbraw/zinc/22/19/19/411221919.db2.gz BHEOXBHWSCMRIJ-UHFFFAOYSA-N 1 2 213.231 1.261 20 0 BDADLO CC(C)n1ncnc1CN1CCn2cc[nH+]c2C1 ZINC000331897018 167801363 /nfs/dbraw/zinc/80/13/63/167801363.db2.gz YAYMJUAUHYQJEG-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC/C=C\CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652396220 411224753 /nfs/dbraw/zinc/22/47/53/411224753.db2.gz FXKXSTJOFDNGSV-HYXAFXHYSA-N 1 2 247.342 1.844 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000656278570 411229532 /nfs/dbraw/zinc/22/95/32/411229532.db2.gz ISDZBXKMCASFJP-MRVPVSSYSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000656278570 411229536 /nfs/dbraw/zinc/22/95/36/411229536.db2.gz ISDZBXKMCASFJP-MRVPVSSYSA-N 1 2 209.293 1.063 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000611937035 411229878 /nfs/dbraw/zinc/22/98/78/411229878.db2.gz NBNIZJXKRBOPBS-NNYUYHANSA-N 1 2 247.342 1.781 20 0 BDADLO CCO[C@H](CC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652410679 411232988 /nfs/dbraw/zinc/23/29/88/411232988.db2.gz QSIGCPIYELMGIA-SECBINFHSA-N 1 2 239.319 1.576 20 0 BDADLO CC(C)(NC(=O)[C@H]1CC12CCC2)c1[nH]cc[nH+]1 ZINC000652411678 411233312 /nfs/dbraw/zinc/23/33/12/411233312.db2.gz CXKZLRFEIBDILY-SECBINFHSA-N 1 2 233.315 1.951 20 0 BDADLO Cc1ccc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)o1 ZINC000652412197 411233961 /nfs/dbraw/zinc/23/39/61/411233961.db2.gz RMUYVXNCUMPXPO-UHFFFAOYSA-N 1 2 247.298 1.905 20 0 BDADLO Cc1cc(CO)ccc1-c1[nH+]ccn1C ZINC000656371334 411236652 /nfs/dbraw/zinc/23/66/52/411236652.db2.gz DIMIPDMYVIJVEM-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)n1 ZINC000656683474 411327393 /nfs/dbraw/zinc/32/73/93/411327393.db2.gz LXFVHWFFCOZMNH-XPUUQOCRSA-N 1 2 247.245 1.453 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)CCC2CC2)[nH]1 ZINC000658157197 411271024 /nfs/dbraw/zinc/27/10/24/411271024.db2.gz OTCJPUAWTWAVCW-VIFPVBQESA-N 1 2 238.335 1.619 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC2(C)C)[nH]1 ZINC000658157266 411271356 /nfs/dbraw/zinc/27/13/56/411271356.db2.gz RHANOKMWDXYLAV-MRVPVSSYSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)C2CCCC2)[nH]1 ZINC000658158180 411271397 /nfs/dbraw/zinc/27/13/97/411271397.db2.gz HAUKUHWZAIQYLN-VIFPVBQESA-N 1 2 238.335 1.619 20 0 BDADLO CCC[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658161596 411275380 /nfs/dbraw/zinc/27/53/80/411275380.db2.gz NGCOQZWMUVVJBA-QMMMGPOBSA-N 1 2 212.297 1.229 20 0 BDADLO Cc1ncc(CC(=O)Nc2cc[nH+]cc2C)o1 ZINC000639699097 411276091 /nfs/dbraw/zinc/27/60/91/411276091.db2.gz TYGFEYHGMFGLSA-UHFFFAOYSA-N 1 2 231.255 1.290 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)CCC(C)C)[nH]1 ZINC000658162612 411276255 /nfs/dbraw/zinc/27/62/55/411276255.db2.gz VJVDPLRFNTUGLQ-JTQLQIEISA-N 1 2 240.351 1.865 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453353 411276248 /nfs/dbraw/zinc/27/62/48/411276248.db2.gz UMMSNWUVSVMBLU-PRJMDXOYSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453353 411276250 /nfs/dbraw/zinc/27/62/50/411276250.db2.gz UMMSNWUVSVMBLU-PRJMDXOYSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000656453355 411276278 /nfs/dbraw/zinc/27/62/78/411276278.db2.gz UMMSNWUVSVMBLU-XLPZGREQSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000656453355 411276280 /nfs/dbraw/zinc/27/62/80/411276280.db2.gz UMMSNWUVSVMBLU-XLPZGREQSA-N 1 2 227.226 1.019 20 0 BDADLO CC[C@H]([NH2+]Cc1cn(CC)nn1)c1cnn(C)c1 ZINC000658175834 411282495 /nfs/dbraw/zinc/28/24/95/411282495.db2.gz HWFCAYMFEODEOI-LBPRGKRZSA-N 1 2 248.334 1.272 20 0 BDADLO CC[C@@H](O)C[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000658189635 411285898 /nfs/dbraw/zinc/28/58/98/411285898.db2.gz MQAGCMZXCYQRKT-NEPJUHHUSA-N 1 2 246.314 1.255 20 0 BDADLO COc1ccc(N[C@@H]2CCNC(=O)CC2)[nH+]c1 ZINC000396668112 411293250 /nfs/dbraw/zinc/29/32/50/411293250.db2.gz QNAHNOPQFYLOPZ-VIFPVBQESA-N 1 2 235.287 1.171 20 0 BDADLO CSCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602034093 411293754 /nfs/dbraw/zinc/29/37/54/411293754.db2.gz SJTHOJWDJRVHDL-UHFFFAOYSA-N 1 2 249.339 1.736 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@]12C[C@H]1CCC2 ZINC000656540351 411294106 /nfs/dbraw/zinc/29/41/06/411294106.db2.gz ZXCPRXMTXWZIPR-ZYHUDNBSSA-N 1 2 234.303 1.125 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661736574 411297824 /nfs/dbraw/zinc/29/78/24/411297824.db2.gz OKMRGOPRZWCBEW-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H](O)C[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661736574 411297826 /nfs/dbraw/zinc/29/78/26/411297826.db2.gz OKMRGOPRZWCBEW-ZWNOBZJWSA-N 1 2 239.290 1.580 20 0 BDADLO CC(C)[C@@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660222159 411299578 /nfs/dbraw/zinc/29/95/78/411299578.db2.gz TZBNOVHHZGHUDR-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cn(C)cn2)CCO1 ZINC000660222159 411299580 /nfs/dbraw/zinc/29/95/80/411299580.db2.gz TZBNOVHHZGHUDR-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cn(C)cn2)CCO1 ZINC000660222159 411299583 /nfs/dbraw/zinc/29/95/83/411299583.db2.gz TZBNOVHHZGHUDR-LBPRGKRZSA-N 1 2 223.320 1.277 20 0 BDADLO Cc1noc([C@@H]2CCCN2Cc2cn(C)c[nH+]2)n1 ZINC000660549330 411316623 /nfs/dbraw/zinc/31/66/23/411316623.db2.gz VMTYTIAJZDAZME-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)no1 ZINC000661829911 411317163 /nfs/dbraw/zinc/31/71/63/411317163.db2.gz DXIAPYWBYHXKIN-FXBDTBDDSA-N 1 2 237.303 1.332 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)no1 ZINC000661829913 411317253 /nfs/dbraw/zinc/31/72/53/411317253.db2.gz DXIAPYWBYHXKIN-HGNGGELXSA-N 1 2 237.303 1.332 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@@H+]1C ZINC000124202776 411317686 /nfs/dbraw/zinc/31/76/86/411317686.db2.gz JFGUZCHKIZTOEZ-ONGXEEELSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@H+]1C ZINC000124202776 411317692 /nfs/dbraw/zinc/31/76/92/411317692.db2.gz JFGUZCHKIZTOEZ-ONGXEEELSA-N 1 2 249.314 1.674 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](OC)C2)[nH]1 ZINC000659874688 411358749 /nfs/dbraw/zinc/35/87/49/411358749.db2.gz GPRCPPSDXWYGEJ-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](OC)C2)[nH]1 ZINC000659874688 411358753 /nfs/dbraw/zinc/35/87/53/411358753.db2.gz GPRCPPSDXWYGEJ-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](OC)C2)[nH]1 ZINC000659874691 411359030 /nfs/dbraw/zinc/35/90/30/411359030.db2.gz GPRCPPSDXWYGEJ-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](OC)C2)[nH]1 ZINC000659874691 411359032 /nfs/dbraw/zinc/35/90/32/411359032.db2.gz GPRCPPSDXWYGEJ-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO c1nn2c(c1CNc1cccc[nH+]1)CCC2 ZINC000656767733 411362534 /nfs/dbraw/zinc/36/25/34/411362534.db2.gz PEIKVPQWWOVJNQ-UHFFFAOYSA-N 1 2 214.272 1.836 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCc2nccnc2C1 ZINC000662120447 411362609 /nfs/dbraw/zinc/36/26/09/411362609.db2.gz DOPLSCCRIJVPMT-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCc2nccnc2C1 ZINC000662120447 411362613 /nfs/dbraw/zinc/36/26/13/411362613.db2.gz DOPLSCCRIJVPMT-NSHDSACASA-N 1 2 240.310 1.991 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)no1 ZINC000662145608 411367610 /nfs/dbraw/zinc/36/76/10/411367610.db2.gz YICQQLCYYBDBDW-VDDIYKPWSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)no1 ZINC000662145608 411367613 /nfs/dbraw/zinc/36/76/13/411367613.db2.gz YICQQLCYYBDBDW-VDDIYKPWSA-N 1 2 239.319 1.389 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000130391625 167981558 /nfs/dbraw/zinc/98/15/58/167981558.db2.gz RQAOBBXPICTURD-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO CCOCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121380219 411341612 /nfs/dbraw/zinc/34/16/12/411341612.db2.gz IOTUHZNAUXOVOO-GFCCVEGCSA-N 1 2 225.288 1.689 20 0 BDADLO CCOCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121380219 411341615 /nfs/dbraw/zinc/34/16/15/411341615.db2.gz IOTUHZNAUXOVOO-GFCCVEGCSA-N 1 2 225.288 1.689 20 0 BDADLO CC1(C[N@H+](CC(F)F)C2CC2)COC1 ZINC000336675918 168021327 /nfs/dbraw/zinc/02/13/27/168021327.db2.gz WUSMBZNZORTILR-UHFFFAOYSA-N 1 2 205.248 1.752 20 0 BDADLO CC1(C[N@@H+](CC(F)F)C2CC2)COC1 ZINC000336675918 168021330 /nfs/dbraw/zinc/02/13/30/168021330.db2.gz WUSMBZNZORTILR-UHFFFAOYSA-N 1 2 205.248 1.752 20 0 BDADLO CC1(CNc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000340018392 168027562 /nfs/dbraw/zinc/02/75/62/168027562.db2.gz KPXXPPCVOYACDP-UHFFFAOYSA-N 1 2 232.331 1.932 20 0 BDADLO CC1(CNc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000340018392 168027564 /nfs/dbraw/zinc/02/75/64/168027564.db2.gz KPXXPPCVOYACDP-UHFFFAOYSA-N 1 2 232.331 1.932 20 0 BDADLO CC1=C(C(=O)NCc2[nH+]ccn2C)CCCO1 ZINC000270018108 168078170 /nfs/dbraw/zinc/07/81/70/168078170.db2.gz CXNXRYQYVUTDLO-UHFFFAOYSA-N 1 2 235.287 1.121 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC(C)=C(C)C2)no1 ZINC000280500255 168083331 /nfs/dbraw/zinc/08/33/31/168083331.db2.gz CAAJEKYCASKERE-UHFFFAOYSA-N 1 2 249.314 1.964 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC(C)=C(C)C2)no1 ZINC000280500255 168083332 /nfs/dbraw/zinc/08/33/32/168083332.db2.gz CAAJEKYCASKERE-UHFFFAOYSA-N 1 2 249.314 1.964 20 0 BDADLO CC1=C(C)C[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC000280694710 168086014 /nfs/dbraw/zinc/08/60/14/168086014.db2.gz HWXYRPKDGHMSEY-JTQLQIEISA-N 1 2 221.308 1.313 20 0 BDADLO CC1=C(C)C[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC000280694710 168086017 /nfs/dbraw/zinc/08/60/17/168086017.db2.gz HWXYRPKDGHMSEY-JTQLQIEISA-N 1 2 221.308 1.313 20 0 BDADLO CC1=C(C)C[N@H+]([C@H](C)c2nnnn2C)CC1 ZINC000280694716 168086255 /nfs/dbraw/zinc/08/62/55/168086255.db2.gz HWXYRPKDGHMSEY-SNVBAGLBSA-N 1 2 221.308 1.313 20 0 BDADLO CC1=C(C)C[N@@H+]([C@H](C)c2nnnn2C)CC1 ZINC000280694716 168086257 /nfs/dbraw/zinc/08/62/57/168086257.db2.gz HWXYRPKDGHMSEY-SNVBAGLBSA-N 1 2 221.308 1.313 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C)C1 ZINC000654368056 411378383 /nfs/dbraw/zinc/37/83/83/411378383.db2.gz YGLFWWAXKAGCFY-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C)C1 ZINC000654368056 411378386 /nfs/dbraw/zinc/37/83/86/411378386.db2.gz YGLFWWAXKAGCFY-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO CC1=CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000280586204 168094905 /nfs/dbraw/zinc/09/49/05/168094905.db2.gz NGKCGASRZRYWFC-UHFFFAOYSA-N 1 2 234.303 1.245 20 0 BDADLO CC1=CCCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000280971973 168095069 /nfs/dbraw/zinc/09/50/69/168095069.db2.gz LSCXCVOFAPOVJQ-UHFFFAOYSA-N 1 2 234.303 1.282 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC=C(C)CC2)on1 ZINC000270325388 168117961 /nfs/dbraw/zinc/11/79/61/168117961.db2.gz KWNQBFJFERRTDJ-LLVKDONJSA-N 1 2 249.314 1.962 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC=C(C)CC2)on1 ZINC000270325388 168117962 /nfs/dbraw/zinc/11/79/62/168117962.db2.gz KWNQBFJFERRTDJ-LLVKDONJSA-N 1 2 249.314 1.962 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc3n(n2)CCCC3)on1 ZINC000655729610 411374644 /nfs/dbraw/zinc/37/46/44/411374644.db2.gz MAURPEFLVAWNGN-UHFFFAOYSA-N 1 2 246.314 1.806 20 0 BDADLO CC1CC(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000333210302 168142759 /nfs/dbraw/zinc/14/27/59/168142759.db2.gz JWOKHXYERDBZDN-QONHTCSSSA-N 1 2 248.330 1.987 20 0 BDADLO CC1CCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000336259492 168171940 /nfs/dbraw/zinc/17/19/40/168171940.db2.gz HDSINQQDTRXZBA-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO CC1CCN(C(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000336259492 168171943 /nfs/dbraw/zinc/17/19/43/168171943.db2.gz HDSINQQDTRXZBA-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO FC(F)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000656916356 411388243 /nfs/dbraw/zinc/38/82/43/411388243.db2.gz MDHRRFHIQNYDBZ-IUCAKERBSA-N 1 2 217.259 1.752 20 0 BDADLO FC(F)C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000656916356 411388246 /nfs/dbraw/zinc/38/82/46/411388246.db2.gz MDHRRFHIQNYDBZ-IUCAKERBSA-N 1 2 217.259 1.752 20 0 BDADLO CC1CN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000338952779 168191100 /nfs/dbraw/zinc/19/11/00/168191100.db2.gz PMNNVHHWAXATSY-UHFFFAOYSA-N 1 2 233.237 1.897 20 0 BDADLO CCC(=CC(=O)NCc1[nH]cc[nH+]1)CC ZINC000129628550 168193841 /nfs/dbraw/zinc/19/38/41/168193841.db2.gz KPRWHLPWRNBPJB-UHFFFAOYSA-N 1 2 207.277 1.772 20 0 BDADLO CCC(=O)CCC[N@H+](C)Cc1ccon1 ZINC000294886451 168199331 /nfs/dbraw/zinc/19/93/31/168199331.db2.gz FYTOBNOGWHIJPL-UHFFFAOYSA-N 1 2 210.277 1.866 20 0 BDADLO CCC(=O)CCC[N@@H+](C)Cc1ccon1 ZINC000294886451 168199333 /nfs/dbraw/zinc/19/93/33/168199333.db2.gz FYTOBNOGWHIJPL-UHFFFAOYSA-N 1 2 210.277 1.866 20 0 BDADLO CCC(=O)CC[N@H+](C)Cc1nccs1 ZINC000190261749 168200899 /nfs/dbraw/zinc/20/08/99/168200899.db2.gz RNLWYPUUKUQNTP-UHFFFAOYSA-N 1 2 212.318 1.944 20 0 BDADLO CCC(=O)CC[N@@H+](C)Cc1nccs1 ZINC000190261749 168200902 /nfs/dbraw/zinc/20/09/02/168200902.db2.gz RNLWYPUUKUQNTP-UHFFFAOYSA-N 1 2 212.318 1.944 20 0 BDADLO CCC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367572389 168202298 /nfs/dbraw/zinc/20/22/98/168202298.db2.gz DQKNCDVOXPMPHX-OLZOCXBDSA-N 1 2 241.331 1.235 20 0 BDADLO CCC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367572389 168202300 /nfs/dbraw/zinc/20/23/00/168202300.db2.gz DQKNCDVOXPMPHX-OLZOCXBDSA-N 1 2 241.331 1.235 20 0 BDADLO CCC(=O)N1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000301224676 168216891 /nfs/dbraw/zinc/21/68/91/168216891.db2.gz CULFQLAUWUYYKF-UHFFFAOYSA-N 1 2 248.330 1.234 20 0 BDADLO CCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374353279 168225805 /nfs/dbraw/zinc/22/58/05/168225805.db2.gz DAHZODILWMAOMN-VIFPVBQESA-N 1 2 207.277 1.146 20 0 BDADLO CCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000041304716 168245914 /nfs/dbraw/zinc/24/59/14/168245914.db2.gz QILDGVFOSNHIBQ-UHFFFAOYSA-N 1 2 203.245 1.991 20 0 BDADLO CCC(C)(CC)NC(=O)NCc1[nH+]ccn1C ZINC000268606024 168308200 /nfs/dbraw/zinc/30/82/00/168308200.db2.gz QENVNZFRRNKMCY-UHFFFAOYSA-N 1 2 238.335 1.798 20 0 BDADLO CCC[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000654862336 411457123 /nfs/dbraw/zinc/45/71/23/411457123.db2.gz JTNHLTBDBVDPAO-JTQLQIEISA-N 1 2 238.335 1.450 20 0 BDADLO CCC[C@H](C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028309 411394735 /nfs/dbraw/zinc/39/47/35/411394735.db2.gz GEAFIZSAHICSLO-VIFPVBQESA-N 1 2 245.348 1.360 20 0 BDADLO CCC[C@H](C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028309 411394739 /nfs/dbraw/zinc/39/47/39/411394739.db2.gz GEAFIZSAHICSLO-VIFPVBQESA-N 1 2 245.348 1.360 20 0 BDADLO Cc1cncc(C[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000287123918 411461106 /nfs/dbraw/zinc/46/11/06/411461106.db2.gz XKEMCCMBBVYYQZ-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1cncc(C[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000287123918 411461109 /nfs/dbraw/zinc/46/11/09/411461109.db2.gz XKEMCCMBBVYYQZ-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)C1CC1 ZINC000654598967 411416523 /nfs/dbraw/zinc/41/65/23/411416523.db2.gz LOBMOVNCBZCDJU-ZJUUUORDSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C1CC1 ZINC000654598967 411416526 /nfs/dbraw/zinc/41/65/26/411416526.db2.gz LOBMOVNCBZCDJU-ZJUUUORDSA-N 1 2 235.331 1.751 20 0 BDADLO Cc1nc(CNCc2c[nH+]c3n2CCC3)cs1 ZINC000657318172 411462322 /nfs/dbraw/zinc/46/23/22/411462322.db2.gz MCMNUXCRNLQJCG-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO Cn1c[nH+]cc1CSC1CCOCC1 ZINC000270020375 411426049 /nfs/dbraw/zinc/42/60/49/411426049.db2.gz DNCVWXFTJGXSIZ-UHFFFAOYSA-N 1 2 212.318 1.832 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]3C)ccn12 ZINC000654702048 411431887 /nfs/dbraw/zinc/43/18/87/411431887.db2.gz UTRMCYGJYOJMPB-LDYMZIIASA-N 1 2 229.283 1.781 20 0 BDADLO CCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279289329 411446506 /nfs/dbraw/zinc/44/65/06/411446506.db2.gz YLANPCMOUJPFQF-UHFFFAOYSA-N 1 2 209.293 1.649 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC=CCC1 ZINC000279508797 411449993 /nfs/dbraw/zinc/44/99/93/411449993.db2.gz UCCAMXGLNSGPNG-SNVBAGLBSA-N 1 2 219.288 1.567 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1[C@H](c1nccn1C)C1CC1 ZINC000637948210 411450796 /nfs/dbraw/zinc/45/07/96/411450796.db2.gz KKCPSUNGXGIARV-OLZOCXBDSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@@H]1COCC[N@H+]1[C@H](c1nccn1C)C1CC1 ZINC000637948210 411450800 /nfs/dbraw/zinc/45/08/00/411450800.db2.gz KKCPSUNGXGIARV-OLZOCXBDSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@H]1COCC[N@@H+]1[C@H](c1nccn1C)C1CC1 ZINC000637948212 411450879 /nfs/dbraw/zinc/45/08/79/411450879.db2.gz KKCPSUNGXGIARV-STQMWFEESA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@H]1COCC[N@H+]1[C@H](c1nccn1C)C1CC1 ZINC000637948212 411450885 /nfs/dbraw/zinc/45/08/85/411450885.db2.gz KKCPSUNGXGIARV-STQMWFEESA-N 1 2 249.358 1.982 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]CCc2ccco2)n1 ZINC000657288867 411450948 /nfs/dbraw/zinc/45/09/48/411450948.db2.gz KWJUVZXLSITMNX-UHFFFAOYSA-N 1 2 249.318 1.353 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cc3n(n2)CCC3)o1 ZINC000657491393 411532654 /nfs/dbraw/zinc/53/26/54/411532654.db2.gz DXXGPIWYBVJIHG-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO COC[C@@H](C[N@H+](C)Cc1cc(C)on1)OC ZINC000659837912 411470984 /nfs/dbraw/zinc/47/09/84/411470984.db2.gz KWURNXVJMWVXPQ-LLVKDONJSA-N 1 2 228.292 1.076 20 0 BDADLO COC[C@@H](C[N@@H+](C)Cc1cc(C)on1)OC ZINC000659837912 411470987 /nfs/dbraw/zinc/47/09/87/411470987.db2.gz KWURNXVJMWVXPQ-LLVKDONJSA-N 1 2 228.292 1.076 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCO2)c(C)o1 ZINC000659845698 411474482 /nfs/dbraw/zinc/47/44/82/411474482.db2.gz LFWFJYGXTAJXIC-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCO2)c(C)o1 ZINC000659845698 411474483 /nfs/dbraw/zinc/47/44/83/411474483.db2.gz LFWFJYGXTAJXIC-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C(C)(C)NCc2[nH]c(C)c(C)[nH+]2)no1 ZINC000657350129 411476000 /nfs/dbraw/zinc/47/60/00/411476000.db2.gz BGOUXYFOXJERNE-UHFFFAOYSA-N 1 2 249.318 1.743 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCCO2)co1 ZINC000659851605 411477417 /nfs/dbraw/zinc/47/74/17/411477417.db2.gz IVHBMNPTJKMVEH-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCCO2)co1 ZINC000659851605 411477418 /nfs/dbraw/zinc/47/74/18/411477418.db2.gz IVHBMNPTJKMVEH-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCN(Cc1cnn(C)c1)c1cc[nH+]c(C)n1 ZINC000360523166 169932097 /nfs/dbraw/zinc/93/20/97/169932097.db2.gz YDLSVCZVTNWALE-UHFFFAOYSA-N 1 2 231.303 1.545 20 0 BDADLO c1cc(C[NH2+]Cc2cocn2)n(CC2CC2)n1 ZINC000657355457 411478444 /nfs/dbraw/zinc/47/84/44/411478444.db2.gz OXRLJWBKKVGNRG-UHFFFAOYSA-N 1 2 232.287 1.571 20 0 BDADLO CC[C@]1(NC(=O)C[NH+]2CC(C)(C)C2)CCOC1 ZINC000655025184 411479894 /nfs/dbraw/zinc/47/98/94/411479894.db2.gz OSNROHQAZILUMY-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](CO)c2ccc(F)cc2)n1 ZINC000657365934 411481291 /nfs/dbraw/zinc/48/12/91/411481291.db2.gz KUTPDTCQMBLTKQ-LBPRGKRZSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000657373726 411482560 /nfs/dbraw/zinc/48/25/60/411482560.db2.gz AMSHLQZZWFEUFD-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H]1C ZINC000655076172 411489798 /nfs/dbraw/zinc/48/97/98/411489798.db2.gz IZIWPUDQKZGJQG-NGZCFLSTSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H]1C ZINC000655076172 411489801 /nfs/dbraw/zinc/48/98/01/411489801.db2.gz IZIWPUDQKZGJQG-NGZCFLSTSA-N 1 2 221.304 1.503 20 0 BDADLO Cn1c[nH+]c2c1CCN([C@H]1COC(C)(C)C1)C2 ZINC000659904312 411492118 /nfs/dbraw/zinc/49/21/18/411492118.db2.gz XNBZCUNYYDKUPR-SNVBAGLBSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCOC2)c(C)o1 ZINC000659908186 411493889 /nfs/dbraw/zinc/49/38/89/411493889.db2.gz OXUBBYNHLNQAOI-JTQLQIEISA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCOC2)c(C)o1 ZINC000659908186 411493892 /nfs/dbraw/zinc/49/38/92/411493892.db2.gz OXUBBYNHLNQAOI-JTQLQIEISA-N 1 2 210.277 1.512 20 0 BDADLO CCn1ccc(CNCc2c[nH+]c3n2CCC3)n1 ZINC000657490108 411533855 /nfs/dbraw/zinc/53/38/55/411533855.db2.gz DYQNPOCEQYHPDF-UHFFFAOYSA-N 1 2 245.330 1.336 20 0 BDADLO Fc1ccc(C[NH2+]Cc2cc3n(n2)CCC3)nc1 ZINC000657398243 411495260 /nfs/dbraw/zinc/49/52/60/411495260.db2.gz KMWMWQHGSGKINM-UHFFFAOYSA-N 1 2 246.289 1.653 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC12CC2 ZINC000655126317 411499904 /nfs/dbraw/zinc/49/99/04/411499904.db2.gz BGCCRRUBPDSMRY-SECBINFHSA-N 1 2 219.288 1.319 20 0 BDADLO Cc1c[nH]c(CNc2cnn(CC3CC3)c2)[nH+]1 ZINC000657419685 411501580 /nfs/dbraw/zinc/50/15/80/411501580.db2.gz DZCQFQVUQXVYOV-UHFFFAOYSA-N 1 2 231.303 1.937 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnn(C)c2C)[nH]c1C ZINC000657418921 411502411 /nfs/dbraw/zinc/50/24/11/411502411.db2.gz GABNHHDXHZHFAL-UHFFFAOYSA-N 1 2 233.319 1.358 20 0 BDADLO Cc1[nH]c(CNCc2cnn(C)c2C)[nH+]c1C ZINC000657418921 411502414 /nfs/dbraw/zinc/50/24/14/411502414.db2.gz GABNHHDXHZHFAL-UHFFFAOYSA-N 1 2 233.319 1.358 20 0 BDADLO COc1ccc[nH+]c1NCc1cc2n(n1)CCC2 ZINC000657421977 411503289 /nfs/dbraw/zinc/50/32/89/411503289.db2.gz SUFRQBULXQULOZ-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000655163851 411508647 /nfs/dbraw/zinc/50/86/47/411508647.db2.gz ZIZHVHJCBNUNDO-HKWIRBFKSA-N 1 2 249.314 1.024 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000655163851 411508650 /nfs/dbraw/zinc/50/86/50/411508650.db2.gz ZIZHVHJCBNUNDO-HKWIRBFKSA-N 1 2 249.314 1.024 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)C(F)(F)F)[nH]c1C ZINC000657448855 411510645 /nfs/dbraw/zinc/51/06/45/411510645.db2.gz WAEIILTVEJYRGS-SSDOTTSWSA-N 1 2 237.225 1.039 20 0 BDADLO Cc1[nH]c(CNC[C@@H](O)C(F)(F)F)[nH+]c1C ZINC000657448855 411510648 /nfs/dbraw/zinc/51/06/48/411510648.db2.gz WAEIILTVEJYRGS-SSDOTTSWSA-N 1 2 237.225 1.039 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ncn(C)n2)CO1 ZINC000657443266 411511621 /nfs/dbraw/zinc/51/16/21/411511621.db2.gz IRUXXWFKBYPLET-IVZWLZJFSA-N 1 2 224.308 1.033 20 0 BDADLO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336753124 411515496 /nfs/dbraw/zinc/51/54/96/411515496.db2.gz DSGHIMZRVUWZNS-JGVFFNPUSA-N 1 2 242.348 1.274 20 0 BDADLO Cn1cnc(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000659982945 411518356 /nfs/dbraw/zinc/51/83/56/411518356.db2.gz AEILKNHGHBOUQE-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1cnc(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000659982945 411518360 /nfs/dbraw/zinc/51/83/60/411518360.db2.gz AEILKNHGHBOUQE-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000660009556 411527112 /nfs/dbraw/zinc/52/71/12/411527112.db2.gz WERUXKJEYCGVSI-ZJUUUORDSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000660009556 411527114 /nfs/dbraw/zinc/52/71/14/411527114.db2.gz WERUXKJEYCGVSI-ZJUUUORDSA-N 1 2 224.304 1.846 20 0 BDADLO c1c[nH]c([C@@H]2CCC[N@H+]2CCc2cnn[nH]2)c1 ZINC000660032367 411530454 /nfs/dbraw/zinc/53/04/54/411530454.db2.gz GPODILWZVHJFOS-LBPRGKRZSA-N 1 2 231.303 1.512 20 0 BDADLO c1c[nH]c([C@@H]2CCC[N@@H+]2CCc2cnn[nH]2)c1 ZINC000660032367 411530455 /nfs/dbraw/zinc/53/04/55/411530455.db2.gz GPODILWZVHJFOS-LBPRGKRZSA-N 1 2 231.303 1.512 20 0 BDADLO Cc1c[nH]c(CNc2cccc(CCO)c2)[nH+]1 ZINC000657487597 411531090 /nfs/dbraw/zinc/53/10/90/411531090.db2.gz WYFIUNDJOWFBDK-UHFFFAOYSA-N 1 2 231.299 1.865 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000134173010 170003026 /nfs/dbraw/zinc/00/30/26/170003026.db2.gz DKKKPAGLQBWPRV-CYBMUJFWSA-N 1 2 233.311 1.980 20 0 BDADLO CC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000134173010 170003027 /nfs/dbraw/zinc/00/30/27/170003027.db2.gz DKKKPAGLQBWPRV-CYBMUJFWSA-N 1 2 233.311 1.980 20 0 BDADLO Cc1nnc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)s1 ZINC000660142634 411544541 /nfs/dbraw/zinc/54/45/41/411544541.db2.gz ILCRPZUJANEVHZ-SSDOTTSWSA-N 1 2 237.332 1.763 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC2CCOCC2)[C@@H](C)C1 ZINC000309925015 170034522 /nfs/dbraw/zinc/03/45/22/170034522.db2.gz UVUJSEGKJGXIJS-AAEUAGOBSA-N 1 2 226.364 1.343 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCOC(F)F)[C@@H](C)C1 ZINC000309442558 170035108 /nfs/dbraw/zinc/03/51/08/170035108.db2.gz IWOQLKCIWTYITI-UWVGGRQHSA-N 1 2 236.306 1.546 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCN2CC=CCC2)[C@@H](C)C1 ZINC000355554258 170036075 /nfs/dbraw/zinc/03/60/75/170036075.db2.gz XEYQOOMAMJKTRQ-KBPBESRZSA-N 1 2 237.391 1.178 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1cncc(F)c1 ZINC000274344875 170057222 /nfs/dbraw/zinc/05/72/22/170057222.db2.gz JBTXIBNBKGJVNB-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1cncc(F)c1 ZINC000274344875 170057223 /nfs/dbraw/zinc/05/72/23/170057223.db2.gz JBTXIBNBKGJVNB-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCNC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000272395021 170058529 /nfs/dbraw/zinc/05/85/29/170058529.db2.gz AJVLLISEHPDRSF-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CCNC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000272395021 170058530 /nfs/dbraw/zinc/05/85/30/170058530.db2.gz AJVLLISEHPDRSF-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CCNC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000272601090 170058683 /nfs/dbraw/zinc/05/86/83/170058683.db2.gz UHZIRPKYQWVIBZ-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CCNC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000272601090 170058685 /nfs/dbraw/zinc/05/86/85/170058685.db2.gz UHZIRPKYQWVIBZ-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO Cc1ncc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000660142780 411542947 /nfs/dbraw/zinc/54/29/47/411542947.db2.gz JUCQWURSMLDWOP-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nc([C@H](C)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000660142506 411543184 /nfs/dbraw/zinc/54/31/84/411543184.db2.gz GFJPYCILTYWVKG-ZETCQYMHSA-N 1 2 221.264 1.294 20 0 BDADLO CCC[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000660132270 411543485 /nfs/dbraw/zinc/54/34/85/411543485.db2.gz HZXIUBGUJXBODF-GHMZBOCLSA-N 1 2 249.301 1.912 20 0 BDADLO CCC[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000660132270 411543486 /nfs/dbraw/zinc/54/34/86/411543486.db2.gz HZXIUBGUJXBODF-GHMZBOCLSA-N 1 2 249.301 1.912 20 0 BDADLO FC1(F)C[C@H]1OCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000660137013 411544139 /nfs/dbraw/zinc/54/41/39/411544139.db2.gz PDVOGZLCYLBAKU-SNVBAGLBSA-N 1 2 243.257 1.192 20 0 BDADLO FC1(F)C[C@H]1OCC[N@H+]1CCc2n[nH]cc2C1 ZINC000660137013 411544141 /nfs/dbraw/zinc/54/41/41/411544141.db2.gz PDVOGZLCYLBAKU-SNVBAGLBSA-N 1 2 243.257 1.192 20 0 BDADLO CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337964030 170081439 /nfs/dbraw/zinc/08/14/39/170081439.db2.gz JYHSUOJHWNNPGM-UHFFFAOYSA-N 1 2 244.298 1.691 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070733294 170087923 /nfs/dbraw/zinc/08/79/23/170087923.db2.gz IWOKPYXENUVUIO-SFYZADRCSA-N 1 2 227.333 1.318 20 0 BDADLO CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339243099 170089870 /nfs/dbraw/zinc/08/98/70/170089870.db2.gz VZSKFBWNXWBCBC-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339243099 170089871 /nfs/dbraw/zinc/08/98/71/170089871.db2.gz VZSKFBWNXWBCBC-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC000035134378 170094741 /nfs/dbraw/zinc/09/47/41/170094741.db2.gz DRMLBGOUSSPIGG-QMMMGPOBSA-N 1 2 242.269 1.579 20 0 BDADLO CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339243100 170097693 /nfs/dbraw/zinc/09/76/93/170097693.db2.gz VZSKFBWNXWBCBC-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339243100 170097695 /nfs/dbraw/zinc/09/76/95/170097695.db2.gz VZSKFBWNXWBCBC-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)nc(C)n1 ZINC000660222106 411556343 /nfs/dbraw/zinc/55/63/43/411556343.db2.gz TUBHABKMWFUWPO-AWEZNQCLSA-N 1 2 249.358 1.950 20 0 BDADLO COc1cc(C[NH2+][C@@H](CO)c2ccccc2)on1 ZINC000660179122 411552109 /nfs/dbraw/zinc/55/21/09/411552109.db2.gz XMPIKCWJIXRJQL-LBPRGKRZSA-N 1 2 248.282 1.506 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1noc(C)n1)C1CCC1 ZINC000660213861 411554274 /nfs/dbraw/zinc/55/42/74/411554274.db2.gz DNJANKXCNRZPQB-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1noc(C)n1)C1CCC1 ZINC000660213861 411554275 /nfs/dbraw/zinc/55/42/75/411554275.db2.gz DNJANKXCNRZPQB-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1ccnc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000660143566 411544804 /nfs/dbraw/zinc/54/48/04/411544804.db2.gz XEJMXPZOCPJREP-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000660143612 411544807 /nfs/dbraw/zinc/54/48/07/411544807.db2.gz XSHIDLIEMXJQPZ-SECBINFHSA-N 1 2 247.302 1.407 20 0 BDADLO CCc1nnc([C@H](C)N(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000660142012 411545016 /nfs/dbraw/zinc/54/50/16/411545016.db2.gz MCQJPTLCBXSJRT-QMMMGPOBSA-N 1 2 234.307 1.283 20 0 BDADLO CC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000278269036 170164840 /nfs/dbraw/zinc/16/48/40/170164840.db2.gz OWFUDNZWTIXTMV-SNVBAGLBSA-N 1 2 202.261 1.504 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000660151030 411547360 /nfs/dbraw/zinc/54/73/60/411547360.db2.gz NGCMPRQXQRYPHX-CYBMUJFWSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000660151030 411547362 /nfs/dbraw/zinc/54/73/62/411547362.db2.gz NGCMPRQXQRYPHX-CYBMUJFWSA-N 1 2 236.315 1.848 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)nc(C)n1 ZINC000660222106 411556342 /nfs/dbraw/zinc/55/63/42/411556342.db2.gz TUBHABKMWFUWPO-AWEZNQCLSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657630784 411567142 /nfs/dbraw/zinc/56/71/42/411567142.db2.gz OLYUMJVMKCZZLE-NSHDSACASA-N 1 2 221.304 1.519 20 0 BDADLO CCOC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000119634657 170219312 /nfs/dbraw/zinc/21/93/12/170219312.db2.gz IKNOEPHWYXGNFL-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361362846 170220103 /nfs/dbraw/zinc/22/01/03/170220103.db2.gz CWGTXQVETSUZGO-CYBMUJFWSA-N 1 2 249.310 1.703 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361362846 170220104 /nfs/dbraw/zinc/22/01/04/170220104.db2.gz CWGTXQVETSUZGO-CYBMUJFWSA-N 1 2 249.310 1.703 20 0 BDADLO CCOC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368119295 170220420 /nfs/dbraw/zinc/22/04/20/170220420.db2.gz SZYZKFFKMQPHKZ-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO CCOC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000368119295 170220421 /nfs/dbraw/zinc/22/04/21/170220421.db2.gz SZYZKFFKMQPHKZ-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000159334491 170220433 /nfs/dbraw/zinc/22/04/33/170220433.db2.gz LSSWLODACFJMHH-NSHDSACASA-N 1 2 222.288 1.715 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000159334491 170220434 /nfs/dbraw/zinc/22/04/34/170220434.db2.gz LSSWLODACFJMHH-NSHDSACASA-N 1 2 222.288 1.715 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000342136459 170221137 /nfs/dbraw/zinc/22/11/37/170221137.db2.gz UDBPHPNXKLLEGH-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000342136459 170221138 /nfs/dbraw/zinc/22/11/38/170221138.db2.gz UDBPHPNXKLLEGH-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000337527403 170226398 /nfs/dbraw/zinc/22/63/98/170226398.db2.gz CCRZNSJXLYZUPT-HTQZYQBOSA-N 1 2 237.246 1.299 20 0 BDADLO CCOC(=O)COCC[N@@H+]1CCC=C(F)C1 ZINC000351573157 170228430 /nfs/dbraw/zinc/22/84/30/170228430.db2.gz HVNJPRXRHCINCZ-UHFFFAOYSA-N 1 2 231.267 1.125 20 0 BDADLO CCOC(=O)COCC[N@H+]1CCC=C(F)C1 ZINC000351573157 170228431 /nfs/dbraw/zinc/22/84/31/170228431.db2.gz HVNJPRXRHCINCZ-UHFFFAOYSA-N 1 2 231.267 1.125 20 0 BDADLO CCOC(=O)C[C@@H](C)SCCn1cc[nH+]c1 ZINC000121916790 170231179 /nfs/dbraw/zinc/23/11/79/170231179.db2.gz MCYXGHIXDWWLFD-SNVBAGLBSA-N 1 2 242.344 1.958 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000360029510 170265791 /nfs/dbraw/zinc/26/57/91/170265791.db2.gz OQMVSBLBTXSPCW-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000360029510 170265792 /nfs/dbraw/zinc/26/57/92/170265792.db2.gz OQMVSBLBTXSPCW-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000340846401 170268260 /nfs/dbraw/zinc/26/82/60/170268260.db2.gz DSSSNOVBGZTMCG-OPQQBVKSSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000340846398 170268271 /nfs/dbraw/zinc/26/82/71/170268271.db2.gz DSSSNOVBGZTMCG-CWSCBRNRSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](CC)C(=O)OC ZINC000338284593 170270001 /nfs/dbraw/zinc/27/00/01/170270001.db2.gz CLFDAWRQUUAJRN-OPRDCNLKSA-N 1 2 245.319 1.115 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCC(C)(C)O ZINC000358661410 170270395 /nfs/dbraw/zinc/27/03/95/170270395.db2.gz MHYWLVVAXALUPG-NSHDSACASA-N 1 2 245.363 1.715 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300423042 170272814 /nfs/dbraw/zinc/27/28/14/170272814.db2.gz NLZAHBYBXYNXTO-TUAOUCFPSA-N 1 2 241.331 1.485 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CSC[C@H]1C ZINC000309027730 170272876 /nfs/dbraw/zinc/27/28/76/170272876.db2.gz BUFWJLMCZRSTGR-UTLUCORTSA-N 1 2 231.361 1.669 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cn[nH]c2)c(C)o1 ZINC000660272484 411562880 /nfs/dbraw/zinc/56/28/80/411562880.db2.gz CPCCXHFDNIMXIR-SSDOTTSWSA-N 1 2 220.276 1.865 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000038593267 170279529 /nfs/dbraw/zinc/27/95/29/170279529.db2.gz LHBREMSQMKJMIR-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000038593267 170279530 /nfs/dbraw/zinc/27/95/30/170279530.db2.gz LHBREMSQMKJMIR-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000052723805 170281362 /nfs/dbraw/zinc/28/13/62/170281362.db2.gz YSRBTHAQZCKRAY-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(N)c1 ZINC000052723805 170281363 /nfs/dbraw/zinc/28/13/63/170281363.db2.gz YSRBTHAQZCKRAY-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2ccccc2)n1 ZINC000657605668 411563963 /nfs/dbraw/zinc/56/39/63/411563963.db2.gz QCKCHWBKYLCROA-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CCOC(C[NH+]1CCN(C(C)C)CC1)OCC ZINC000104361818 170314764 /nfs/dbraw/zinc/31/47/64/170314764.db2.gz FLEWKQKBORNVTD-UHFFFAOYSA-N 1 2 244.379 1.412 20 0 BDADLO CCOC1CC(O)(CNc2cc[nH+]c(C)n2)C1 ZINC000278000012 170330804 /nfs/dbraw/zinc/33/08/04/170330804.db2.gz NORUNMWYCPGKIB-UHFFFAOYSA-N 1 2 237.303 1.127 20 0 BDADLO CCOCC(=O)Nc1ccc(C)[nH+]c1C ZINC000094667175 170347841 /nfs/dbraw/zinc/34/78/41/170347841.db2.gz ZAJOHJOGMRUEFI-UHFFFAOYSA-N 1 2 208.261 1.673 20 0 BDADLO COc1ccnc(CNCc2[nH]cc[nH+]2)c1F ZINC000657673457 411575844 /nfs/dbraw/zinc/57/58/44/411575844.db2.gz RJNXRPDTFWQRER-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO CCOCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178355602 170360913 /nfs/dbraw/zinc/36/09/13/170360913.db2.gz FHXLQWSHTPSPJL-UHFFFAOYSA-N 1 2 247.298 1.377 20 0 BDADLO CCOCCC(=O)NCc1c[nH+]ccc1OC ZINC000294730504 170361362 /nfs/dbraw/zinc/36/13/62/170361362.db2.gz XIXMPQARCXKSAO-UHFFFAOYSA-N 1 2 238.287 1.133 20 0 BDADLO CCOCCC(=O)OCc1c[nH+]ccc1OC ZINC000286936642 170363925 /nfs/dbraw/zinc/36/39/25/170363925.db2.gz JPGMVTSMPMFQMT-UHFFFAOYSA-N 1 2 239.271 1.560 20 0 BDADLO CCOCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264719341 170368583 /nfs/dbraw/zinc/36/85/83/170368583.db2.gz FTMNBRVDBNBSKJ-UHFFFAOYSA-N 1 2 225.292 1.265 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)on1 ZINC000660322906 411568927 /nfs/dbraw/zinc/56/89/27/411568927.db2.gz OHDLZZNXLYWSAS-NSHDSACASA-N 1 2 238.287 1.294 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)on1 ZINC000660322906 411568928 /nfs/dbraw/zinc/56/89/28/411568928.db2.gz OHDLZZNXLYWSAS-NSHDSACASA-N 1 2 238.287 1.294 20 0 BDADLO CCOCC[N@H+](C)Cc1ncc(COC)s1 ZINC000354745897 170391857 /nfs/dbraw/zinc/39/18/57/170391857.db2.gz GJQPAEJRVGYXMV-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncc(COC)s1 ZINC000354745897 170391859 /nfs/dbraw/zinc/39/18/59/170391859.db2.gz GJQPAEJRVGYXMV-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO CCOCC[N@H+](C)Cc1nccn1C(F)F ZINC000298478993 170391978 /nfs/dbraw/zinc/39/19/78/170391978.db2.gz GPWNHIRNDPWENR-UHFFFAOYSA-N 1 2 233.262 1.747 20 0 BDADLO CCOCC[N@@H+](C)Cc1nccn1C(F)F ZINC000298478993 170391980 /nfs/dbraw/zinc/39/19/80/170391980.db2.gz GPWNHIRNDPWENR-UHFFFAOYSA-N 1 2 233.262 1.747 20 0 BDADLO CCNc1nccnc1NCCn1cc[nH+]c1 ZINC000663330784 411626717 /nfs/dbraw/zinc/62/67/17/411626717.db2.gz BXDZLYNBOSLFMO-UHFFFAOYSA-N 1 2 232.291 1.217 20 0 BDADLO CCCc1nccnc1N(C)Cc1[nH+]ccn1C ZINC000663351505 411636210 /nfs/dbraw/zinc/63/62/10/411636210.db2.gz OEBRHSZMCRJOLL-UHFFFAOYSA-N 1 2 245.330 1.799 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657703056 411583454 /nfs/dbraw/zinc/58/34/54/411583454.db2.gz LCWXLWGBKMYACH-QWRGUYRKSA-N 1 2 221.304 1.111 20 0 BDADLO COCC[N@H+](Cc1coc(C)n1)[C@H]1CCOC1 ZINC000660430983 411583769 /nfs/dbraw/zinc/58/37/69/411583769.db2.gz BQOYKYPRJCDIOD-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[N@@H+](Cc1coc(C)n1)[C@H]1CCOC1 ZINC000660430983 411583770 /nfs/dbraw/zinc/58/37/70/411583770.db2.gz BQOYKYPRJCDIOD-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO Cn1c[nH+]c(CN2CCC[C@H]2c2cc[nH]n2)c1 ZINC000660428551 411583804 /nfs/dbraw/zinc/58/38/04/411583804.db2.gz FONJKJXMAXCJBY-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@H+](CC3CC=CC3)C2)O1 ZINC000660462780 411589296 /nfs/dbraw/zinc/58/92/96/411589296.db2.gz UNOFSZISFRRTNO-LLVKDONJSA-N 1 2 249.314 1.921 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@@H+](CC3CC=CC3)C2)O1 ZINC000660462780 411589297 /nfs/dbraw/zinc/58/92/97/411589297.db2.gz UNOFSZISFRRTNO-LLVKDONJSA-N 1 2 249.314 1.921 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC3CC=CC3)C2)o1 ZINC000660462780 411589298 /nfs/dbraw/zinc/58/92/98/411589298.db2.gz UNOFSZISFRRTNO-LLVKDONJSA-N 1 2 249.314 1.921 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CC=CC3)C2)o1 ZINC000660462780 411589299 /nfs/dbraw/zinc/58/92/99/411589299.db2.gz UNOFSZISFRRTNO-LLVKDONJSA-N 1 2 249.314 1.921 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccoc1 ZINC000660465479 411589666 /nfs/dbraw/zinc/58/96/66/411589666.db2.gz LHEVIKVJLXGAPU-UHFFFAOYSA-N 1 2 234.259 1.344 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccoc1 ZINC000660465479 411589668 /nfs/dbraw/zinc/58/96/68/411589668.db2.gz LHEVIKVJLXGAPU-UHFFFAOYSA-N 1 2 234.259 1.344 20 0 BDADLO CC(C)[C@H]([NH2+]CC(F)F)[C@H](O)C(F)(F)F ZINC000660527864 411595866 /nfs/dbraw/zinc/59/58/66/411595866.db2.gz HPXCHSWEBLTGTB-BQBZGAKWSA-N 1 2 235.196 1.789 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@H](C)OC)[nH]1 ZINC000660553449 411598815 /nfs/dbraw/zinc/59/88/15/411598815.db2.gz YWEKVMQWJLQUDA-IUCAKERBSA-N 1 2 226.324 1.395 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H](C)OC)[nH]1 ZINC000660553449 411598817 /nfs/dbraw/zinc/59/88/17/411598817.db2.gz YWEKVMQWJLQUDA-IUCAKERBSA-N 1 2 226.324 1.395 20 0 BDADLO CCN1OC[C@H]([N@@H+]2CCC(F)(F)[C@@H](C)C2)C1=O ZINC000660566101 411601291 /nfs/dbraw/zinc/60/12/91/411601291.db2.gz MTYBPRUWECSRRN-IUCAKERBSA-N 1 2 248.273 1.126 20 0 BDADLO CCN1OC[C@H]([N@H+]2CCC(F)(F)[C@@H](C)C2)C1=O ZINC000660566101 411601293 /nfs/dbraw/zinc/60/12/93/411601293.db2.gz MTYBPRUWECSRRN-IUCAKERBSA-N 1 2 248.273 1.126 20 0 BDADLO Nc1cc(CN2CC[C@H]2C(F)(F)F)cc[nH+]1 ZINC000660570683 411601748 /nfs/dbraw/zinc/60/17/48/411601748.db2.gz OPJCQTQHFMMRBE-QMMMGPOBSA-N 1 2 231.221 1.800 20 0 BDADLO COc1cc(C[N@H+](C)Cc2ccccn2)on1 ZINC000660679500 411616677 /nfs/dbraw/zinc/61/66/77/411616677.db2.gz MDOGUGIESDSORD-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2ccccn2)on1 ZINC000660679500 411616678 /nfs/dbraw/zinc/61/66/78/411616678.db2.gz MDOGUGIESDSORD-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cc(CO)c(F)cn1 ZINC000663617185 411710009 /nfs/dbraw/zinc/71/00/09/411710009.db2.gz JEKRYJKIOFYEMD-UHFFFAOYSA-N 1 2 236.250 1.073 20 0 BDADLO CC/C=C\CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845219 411656626 /nfs/dbraw/zinc/65/66/26/411656626.db2.gz LWQGWGFCTWBRSQ-PLNGDYQASA-N 1 2 211.265 1.563 20 0 BDADLO CC/C=C\CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845219 411656630 /nfs/dbraw/zinc/65/66/30/411656630.db2.gz LWQGWGFCTWBRSQ-PLNGDYQASA-N 1 2 211.265 1.563 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848374 411658411 /nfs/dbraw/zinc/65/84/11/411658411.db2.gz HUYWFSZQAJCBLR-UHFFFAOYSA-N 1 2 229.280 1.022 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848374 411658416 /nfs/dbraw/zinc/65/84/16/411658416.db2.gz HUYWFSZQAJCBLR-UHFFFAOYSA-N 1 2 229.280 1.022 20 0 BDADLO CCn1nccc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000663469629 411667460 /nfs/dbraw/zinc/66/74/60/411667460.db2.gz LAVXDNYMZRDWIX-CMPLNLGQSA-N 1 2 245.330 1.895 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](CC)CO1 ZINC000660912621 411668858 /nfs/dbraw/zinc/66/88/58/411668858.db2.gz LFYQXWRPJVHXPA-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](CC)CO1 ZINC000660912621 411668861 /nfs/dbraw/zinc/66/88/61/411668861.db2.gz LFYQXWRPJVHXPA-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO CO[C@H](C[N@@H+]1CCCC(F)(F)C1)[C@H]1CCOC1 ZINC000660913370 411670419 /nfs/dbraw/zinc/67/04/19/411670419.db2.gz SCYQJIUECFVYNQ-WDEREUQCSA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@H](C[N@H+]1CCCC(F)(F)C1)[C@H]1CCOC1 ZINC000660913370 411670425 /nfs/dbraw/zinc/67/04/25/411670425.db2.gz SCYQJIUECFVYNQ-WDEREUQCSA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@]1(CNc2nc(C)[nH+]cc2C)CCOC1 ZINC000516981623 411680387 /nfs/dbraw/zinc/68/03/87/411680387.db2.gz RJIUEFZYGAYXID-LBPRGKRZSA-N 1 2 237.303 1.311 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1cccnc1C ZINC000528186218 411682738 /nfs/dbraw/zinc/68/27/38/411682738.db2.gz JKKDGLPDZOERRB-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1cccnc1C ZINC000528186218 411682740 /nfs/dbraw/zinc/68/27/40/411682740.db2.gz JKKDGLPDZOERRB-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO O[C@@H](CNc1cc[nH+]c(C2CC2)n1)[C@H]1CCOC1 ZINC000605572325 411695811 /nfs/dbraw/zinc/69/58/11/411695811.db2.gz VPKJGKRZIZYZGV-QWRGUYRKSA-N 1 2 249.314 1.163 20 0 BDADLO CCc1nnc([C@@H](C)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000661086779 411699544 /nfs/dbraw/zinc/69/95/44/411699544.db2.gz HLDPFDYNMBUUGW-MRVPVSSYSA-N 1 2 235.291 1.548 20 0 BDADLO CCc1nnc([C@@H](C)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000661086779 411699546 /nfs/dbraw/zinc/69/95/46/411699546.db2.gz HLDPFDYNMBUUGW-MRVPVSSYSA-N 1 2 235.291 1.548 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCC(C)(C)O1 ZINC000661088211 411700209 /nfs/dbraw/zinc/70/02/09/411700209.db2.gz GZOCDTUCWJTDMZ-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CCC(C)(C)O1 ZINC000661088211 411700213 /nfs/dbraw/zinc/70/02/13/411700213.db2.gz GZOCDTUCWJTDMZ-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CCC(C)(C)O1 ZINC000661088211 411700216 /nfs/dbraw/zinc/70/02/16/411700216.db2.gz GZOCDTUCWJTDMZ-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CCC(C)(C)O1 ZINC000661088211 411700217 /nfs/dbraw/zinc/70/02/17/411700217.db2.gz GZOCDTUCWJTDMZ-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO Cc1nnc([C@H](C)N(C)Cc2c[nH+]c[nH]2)s1 ZINC000661088481 411700278 /nfs/dbraw/zinc/70/02/78/411700278.db2.gz JECXIYMQYYUYAD-ZETCQYMHSA-N 1 2 237.332 1.763 20 0 BDADLO Cc1nnc([C@H](C)N(C)Cc2c[nH]c[nH+]2)s1 ZINC000661088481 411700282 /nfs/dbraw/zinc/70/02/82/411700282.db2.gz JECXIYMQYYUYAD-ZETCQYMHSA-N 1 2 237.332 1.763 20 0 BDADLO Cc1nnc(CN(C)Cc2c[nH+]c[nH]2)n1C1CC1 ZINC000661086531 411700322 /nfs/dbraw/zinc/70/03/22/411700322.db2.gz BKVWPJLGTWXIDF-UHFFFAOYSA-N 1 2 246.318 1.277 20 0 BDADLO Cc1nnc(CN(C)Cc2c[nH]c[nH+]2)n1C1CC1 ZINC000661086531 411700325 /nfs/dbraw/zinc/70/03/25/411700325.db2.gz BKVWPJLGTWXIDF-UHFFFAOYSA-N 1 2 246.318 1.277 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1noc(C2CC2)n1 ZINC000661087330 411700366 /nfs/dbraw/zinc/70/03/66/411700366.db2.gz RPGCKRRSKJUKKM-UHFFFAOYSA-N 1 2 233.275 1.302 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1noc(C2CC2)n1 ZINC000661087330 411700369 /nfs/dbraw/zinc/70/03/69/411700369.db2.gz RPGCKRRSKJUKKM-UHFFFAOYSA-N 1 2 233.275 1.302 20 0 BDADLO Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000663540888 411700994 /nfs/dbraw/zinc/70/09/94/411700994.db2.gz SUSZQFPIERSTTA-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000661261305 411744982 /nfs/dbraw/zinc/74/49/82/411744982.db2.gz FQELMOUSNLQQJB-QWRGUYRKSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1cn2ccc(C(=O)N(C)C)cc2[nH+]1 ZINC000071552018 411746038 /nfs/dbraw/zinc/74/60/38/411746038.db2.gz QWYDGVZPFGBWLW-UHFFFAOYSA-N 1 2 203.245 1.345 20 0 BDADLO CCn1cc[nH+]c1CN1CC[C@@H](O)C(F)(F)C1 ZINC000661397010 411767528 /nfs/dbraw/zinc/76/75/28/411767528.db2.gz BOMBGPZFIMSPQZ-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO CCC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661405232 411768402 /nfs/dbraw/zinc/76/84/02/411768402.db2.gz CZUFYGUPVMSXFX-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661405232 411768404 /nfs/dbraw/zinc/76/84/04/411768404.db2.gz CZUFYGUPVMSXFX-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000661412672 411770076 /nfs/dbraw/zinc/77/00/76/411770076.db2.gz HWICEMPUUQJAIM-VHSXEESVSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000661412672 411770079 /nfs/dbraw/zinc/77/00/79/411770079.db2.gz HWICEMPUUQJAIM-VHSXEESVSA-N 1 2 235.274 1.113 20 0 BDADLO Cc1cnc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000663919309 411775569 /nfs/dbraw/zinc/77/55/69/411775569.db2.gz MEQCHXYKXLDQEP-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000624666420 411778767 /nfs/dbraw/zinc/77/87/67/411778767.db2.gz AKKJOQQFFIXIMY-KYZUINATSA-N 1 2 232.287 1.449 20 0 BDADLO Cc1cc(N2Cc3c[nH]nc3C2)nc[nH+]1 ZINC000663928981 411778972 /nfs/dbraw/zinc/77/89/72/411778972.db2.gz QMIGKJCFVLOIQN-UHFFFAOYSA-N 1 2 201.233 1.028 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccon1 ZINC000661463997 411779986 /nfs/dbraw/zinc/77/99/86/411779986.db2.gz WAVCZJCIPWYLDY-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccon1 ZINC000661463997 411779988 /nfs/dbraw/zinc/77/99/88/411779988.db2.gz WAVCZJCIPWYLDY-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661464075 411782139 /nfs/dbraw/zinc/78/21/39/411782139.db2.gz XXTJOKGCJLWYCF-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661464075 411782142 /nfs/dbraw/zinc/78/21/42/411782142.db2.gz XXTJOKGCJLWYCF-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO C[C@]1(C2CC2)C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000661170403 411725932 /nfs/dbraw/zinc/72/59/32/411725932.db2.gz GQPLUUIUGAGXHO-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO C[C@]1(C2CC2)C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000661170403 411725934 /nfs/dbraw/zinc/72/59/34/411725934.db2.gz GQPLUUIUGAGXHO-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661169097 411726978 /nfs/dbraw/zinc/72/69/78/411726978.db2.gz SYNQJDZRIHMBDW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661169097 411726981 /nfs/dbraw/zinc/72/69/81/411726981.db2.gz SYNQJDZRIHMBDW-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOCC(C)C)o1 ZINC000661529130 411796069 /nfs/dbraw/zinc/79/60/69/411796069.db2.gz NYQCHOAUZWMSQT-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOCC(C)C)o1 ZINC000661529130 411796073 /nfs/dbraw/zinc/79/60/73/411796073.db2.gz NYQCHOAUZWMSQT-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO C[C@@H]1C[NH+](CCn2ccccc2=O)C[C@@H](C)C1=O ZINC000661544623 411799525 /nfs/dbraw/zinc/79/95/25/411799525.db2.gz HXUNXVQKAJRMIE-VXGBXAGGSA-N 1 2 248.326 1.005 20 0 BDADLO FC1(F)C[C@@H]1OCCOc1cc[nH+]cc1 ZINC000664014962 411814710 /nfs/dbraw/zinc/81/47/10/411814710.db2.gz GQHYLAXIDMQAKU-VIFPVBQESA-N 1 2 215.199 1.885 20 0 BDADLO O=C1NCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000664134676 411867002 /nfs/dbraw/zinc/86/70/02/411867002.db2.gz MXMSNQOGKSJEKA-ZETCQYMHSA-N 1 2 245.204 1.401 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661737760 411861023 /nfs/dbraw/zinc/86/10/23/411861023.db2.gz LFEOKPKHAANOLN-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000661737760 411861029 /nfs/dbraw/zinc/86/10/29/411861029.db2.gz LFEOKPKHAANOLN-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCc1noc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)n1 ZINC000661835223 411899936 /nfs/dbraw/zinc/89/99/36/411899936.db2.gz APPBUQPTCQFDKH-BDAKNGLRSA-N 1 2 237.303 1.025 20 0 BDADLO CC[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000661863872 411909515 /nfs/dbraw/zinc/90/95/15/411909515.db2.gz RLSXUJFYOILRHA-LLVKDONJSA-N 1 2 236.319 1.740 20 0 BDADLO CC[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000661863872 411909518 /nfs/dbraw/zinc/90/95/18/411909518.db2.gz RLSXUJFYOILRHA-LLVKDONJSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](C)C1O ZINC000664349388 411928142 /nfs/dbraw/zinc/92/81/42/411928142.db2.gz KPQHSQVTMJWBID-UWVGGRQHSA-N 1 2 247.342 1.807 20 0 BDADLO COC[C@@H](CCNc1cccc[nH+]1)OC ZINC000664163741 411875896 /nfs/dbraw/zinc/87/58/96/411875896.db2.gz GJADOGOZDWZEHX-SNVBAGLBSA-N 1 2 210.277 1.545 20 0 BDADLO CCc1cc(NCC[C@@H](COC)OC)nc[nH+]1 ZINC000664166056 411876213 /nfs/dbraw/zinc/87/62/13/411876213.db2.gz NMTLBRSIGPXBRD-NSHDSACASA-N 1 2 239.319 1.502 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000661768292 411882321 /nfs/dbraw/zinc/88/23/21/411882321.db2.gz VLQNEDKYNWDCHZ-NKWVEPMBSA-N 1 2 247.245 1.352 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000661768292 411882323 /nfs/dbraw/zinc/88/23/23/411882323.db2.gz VLQNEDKYNWDCHZ-NKWVEPMBSA-N 1 2 247.245 1.352 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC3(COC3)C2)s1 ZINC000662070940 411972731 /nfs/dbraw/zinc/97/27/31/411972731.db2.gz VKFLVEVKFGLBSC-UHFFFAOYSA-N 1 2 225.317 1.069 20 0 BDADLO Cc1nnc(C[N@H+]2CCC3(COC3)C2)s1 ZINC000662070940 411972734 /nfs/dbraw/zinc/97/27/34/411972734.db2.gz VKFLVEVKFGLBSC-UHFFFAOYSA-N 1 2 225.317 1.069 20 0 BDADLO C[C@@H](NC(=O)N1CCC[C@@H]1C)c1[nH+]ccn1C ZINC000662102880 411988944 /nfs/dbraw/zinc/98/89/44/411988944.db2.gz ZNIWMGDTUQETMT-VHSXEESVSA-N 1 2 236.319 1.675 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@]1(C)CO ZINC000664595690 411993898 /nfs/dbraw/zinc/99/38/98/411993898.db2.gz PSLFCGBKNZDWMS-HZMBPMFUSA-N 1 2 247.342 1.809 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000664605005 411996647 /nfs/dbraw/zinc/99/66/47/411996647.db2.gz MREKLIOEQWEPCC-MFKMUULPSA-N 1 2 244.298 1.801 20 0 BDADLO Cc1nc(N[C@@H](C)c2nccn2C)cc[nH+]1 ZINC000664608822 411999006 /nfs/dbraw/zinc/99/90/06/411999006.db2.gz NVIAUUOSCSNNIG-QMMMGPOBSA-N 1 2 217.276 1.692 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NC1CC(C)(C)C1 ZINC000664628189 412001350 /nfs/dbraw/zinc/00/13/50/412001350.db2.gz OMOABRLAAIQDGU-UHFFFAOYSA-N 1 2 246.318 1.546 20 0 BDADLO c1nc2cnccn2c1C[NH+]1CC2(CC2)C1 ZINC000335382692 487621317 /nfs/dbraw/zinc/62/13/17/487621317.db2.gz AWSQUNAQQRZCKD-UHFFFAOYSA-N 1 2 214.272 1.325 20 0 BDADLO COc1c(C)[nH+]cnc1NCCOCCF ZINC000664678299 412009123 /nfs/dbraw/zinc/00/91/23/412009123.db2.gz QTRYDARKGFXISX-UHFFFAOYSA-N 1 2 229.255 1.192 20 0 BDADLO Cc1nc(NC[C@]2(C)C[C@H]3C[C@H]3C2)nc(N)[nH+]1 ZINC000631392246 411944276 /nfs/dbraw/zinc/94/42/76/411944276.db2.gz ZEJXKBMODCKGKG-BZBKMWRSSA-N 1 2 233.319 1.032 20 0 BDADLO Cc1nc(N)nc(NC[C@]2(C)C[C@H]3C[C@H]3C2)[nH+]1 ZINC000631392246 411944280 /nfs/dbraw/zinc/94/42/80/411944280.db2.gz ZEJXKBMODCKGKG-BZBKMWRSSA-N 1 2 233.319 1.032 20 0 BDADLO FC(F)(F)C[C@H]1C[N@@H+]([C@H]2CCOC2)CCO1 ZINC000662228261 412032894 /nfs/dbraw/zinc/03/28/94/412032894.db2.gz WOMIMPYTKLZNLR-IUCAKERBSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)C[C@H]1C[N@H+]([C@H]2CCOC2)CCO1 ZINC000662228261 412032896 /nfs/dbraw/zinc/03/28/96/412032896.db2.gz WOMIMPYTKLZNLR-IUCAKERBSA-N 1 2 239.237 1.429 20 0 BDADLO C[C@@H]1C[N@H+](CCO)C[C@@H](CC(F)(F)F)O1 ZINC000662241322 412037200 /nfs/dbraw/zinc/03/72/00/412037200.db2.gz JGMCPQGFBWRXLU-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](CCO)C[C@@H](CC(F)(F)F)O1 ZINC000662241322 412037201 /nfs/dbraw/zinc/03/72/01/412037201.db2.gz JGMCPQGFBWRXLU-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H](O)C(C)(C)C)s1 ZINC000662256615 412051496 /nfs/dbraw/zinc/05/14/96/412051496.db2.gz MCCOJKWAHVEPLQ-VIFPVBQESA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H](O)C(C)(C)C)s1 ZINC000662256615 412051498 /nfs/dbraw/zinc/05/14/98/412051498.db2.gz MCCOJKWAHVEPLQ-VIFPVBQESA-N 1 2 243.376 1.685 20 0 BDADLO CCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980852 412055569 /nfs/dbraw/zinc/05/55/69/412055569.db2.gz JBTKSOPXSRJABM-UHFFFAOYSA-N 1 2 203.245 1.926 20 0 BDADLO C[C@@H](C[N@H+](C)CC1=CCSC1)S(C)(=O)=O ZINC000662265441 412055944 /nfs/dbraw/zinc/05/59/44/412055944.db2.gz ANMFJVVQJYPHOB-VIFPVBQESA-N 1 2 249.401 1.025 20 0 BDADLO C[C@@H](C[N@@H+](C)CC1=CCSC1)S(C)(=O)=O ZINC000662265441 412055947 /nfs/dbraw/zinc/05/59/47/412055947.db2.gz ANMFJVVQJYPHOB-VIFPVBQESA-N 1 2 249.401 1.025 20 0 BDADLO Cc1cc[nH+]cc1Cc1noc(C2(C)COC2)n1 ZINC000664984593 412056599 /nfs/dbraw/zinc/05/65/99/412056599.db2.gz MHYAQBRWEJZUON-UHFFFAOYSA-N 1 2 245.282 1.652 20 0 BDADLO CC[C@@H]1CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000294009577 171020897 /nfs/dbraw/zinc/02/08/97/171020897.db2.gz MRMXBKJCXXTYGC-LLVKDONJSA-N 1 2 229.283 1.959 20 0 BDADLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cc(C)on1 ZINC000292411479 171022952 /nfs/dbraw/zinc/02/29/52/171022952.db2.gz MDNOXLJZJYNDME-SECBINFHSA-N 1 2 223.276 1.406 20 0 BDADLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1cc(C)on1 ZINC000292411479 171022954 /nfs/dbraw/zinc/02/29/54/171022954.db2.gz MDNOXLJZJYNDME-SECBINFHSA-N 1 2 223.276 1.406 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc(C)cn2)CCCO1 ZINC000336718418 171091862 /nfs/dbraw/zinc/09/18/62/171091862.db2.gz DNXLXBGAMGJCML-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc(C)cn2)CCCO1 ZINC000336718418 171091864 /nfs/dbraw/zinc/09/18/64/171091864.db2.gz DNXLXBGAMGJCML-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@@H]1O ZINC000341014058 171093619 /nfs/dbraw/zinc/09/36/19/171093619.db2.gz QQQRITLYPJFGAY-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@@H]1O ZINC000341014058 171093620 /nfs/dbraw/zinc/09/36/20/171093620.db2.gz QQQRITLYPJFGAY-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@@H]1C[C@@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000310012235 171124478 /nfs/dbraw/zinc/12/44/78/171124478.db2.gz JANIAXSKUPDETQ-BDAKNGLRSA-N 1 2 221.308 1.456 20 0 BDADLO CC[C@@H]1C[C@@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000310012235 171124480 /nfs/dbraw/zinc/12/44/80/171124480.db2.gz JANIAXSKUPDETQ-BDAKNGLRSA-N 1 2 221.308 1.456 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000274751672 171155104 /nfs/dbraw/zinc/15/51/04/171155104.db2.gz LKJSOPUUGUHVDC-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO CC[C@@](C)([NH2+]CCOCC(F)F)C(=O)OC ZINC000336676981 171175298 /nfs/dbraw/zinc/17/52/98/171175298.db2.gz BZTYUNBBTRTXAA-SNVBAGLBSA-N 1 2 239.262 1.199 20 0 BDADLO CC[C@@](C)([NH2+]CCSC)C(=O)OC ZINC000336652347 171175412 /nfs/dbraw/zinc/17/54/12/171175412.db2.gz KXFACSHPIITGLN-SECBINFHSA-N 1 2 205.323 1.281 20 0 BDADLO CC[C@@](C)([NH2+]CCc1cscn1)C(=O)OC ZINC000296225414 171176068 /nfs/dbraw/zinc/17/60/68/171176068.db2.gz HBYSXWSRYGSJGL-LLVKDONJSA-N 1 2 242.344 1.617 20 0 BDADLO CC[C@@](C)(OC)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000359368449 171187952 /nfs/dbraw/zinc/18/79/52/171187952.db2.gz GFYWWDOVDKFQJN-CYBMUJFWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@]1(C)CC[N@H+](Cc2noc(COC)n2)C1 ZINC000356248980 171203672 /nfs/dbraw/zinc/20/36/72/171203672.db2.gz FGRILZOKWYYCSQ-LBPRGKRZSA-N 1 2 239.319 1.838 20 0 BDADLO CC[C@@]1(C)CC[N@@H+](Cc2noc(COC)n2)C1 ZINC000356248980 171203673 /nfs/dbraw/zinc/20/36/73/171203673.db2.gz FGRILZOKWYYCSQ-LBPRGKRZSA-N 1 2 239.319 1.838 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000332055169 171221354 /nfs/dbraw/zinc/22/13/54/171221354.db2.gz WZHUESKIJSISIH-XWRVAKJBSA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000332055169 171221357 /nfs/dbraw/zinc/22/13/57/171221357.db2.gz WZHUESKIJSISIH-XWRVAKJBSA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334151258 171252815 /nfs/dbraw/zinc/25/28/15/171252815.db2.gz QFWWVHDNFPLYGS-DTWKUNHWSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334151258 171252816 /nfs/dbraw/zinc/25/28/16/171252816.db2.gz QFWWVHDNFPLYGS-DTWKUNHWSA-N 1 2 221.304 1.429 20 0 BDADLO CC[C@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000331084490 171259278 /nfs/dbraw/zinc/25/92/78/171259278.db2.gz PVNWXMNJBFHCMU-QMMMGPOBSA-N 1 2 208.261 1.584 20 0 BDADLO CC[C@H](C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000352734644 171266323 /nfs/dbraw/zinc/26/63/23/171266323.db2.gz ZJKGWJQCKXHBAB-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000372971862 171321345 /nfs/dbraw/zinc/32/13/45/171321345.db2.gz DQNOHBUNKFZVTG-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000357300021 171325132 /nfs/dbraw/zinc/32/51/32/171325132.db2.gz DKGKLQNHUAIZMJ-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000357300021 171325133 /nfs/dbraw/zinc/32/51/33/171325133.db2.gz DKGKLQNHUAIZMJ-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000044424574 171333002 /nfs/dbraw/zinc/33/30/02/171333002.db2.gz KYPOCLRVBCMQBB-WCBMZHEXSA-N 1 2 239.319 1.376 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279381855 171362228 /nfs/dbraw/zinc/36/22/28/171362228.db2.gz HYIDICZHLVZOEY-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000665106363 412096171 /nfs/dbraw/zinc/09/61/71/412096171.db2.gz NLXPCNXURQXHPN-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665170785 412119923 /nfs/dbraw/zinc/11/99/23/412119923.db2.gz YHFSUVVYNWOUMW-IJLUTSLNSA-N 1 2 247.342 1.925 20 0 BDADLO COCc1noc(C[N@@H+]2CC3CC2(C)C3)n1 ZINC000662384950 412136245 /nfs/dbraw/zinc/13/62/45/412136245.db2.gz CKRKTLXUJPDRRW-UHFFFAOYSA-N 1 2 223.276 1.200 20 0 BDADLO COCc1noc(C[N@H+]2CC3CC2(C)C3)n1 ZINC000662384950 412136248 /nfs/dbraw/zinc/13/62/48/412136248.db2.gz CKRKTLXUJPDRRW-UHFFFAOYSA-N 1 2 223.276 1.200 20 0 BDADLO Cc1ccc(CCC[NH2+][C@H](C)C(=O)[O-])c[nH+]1 ZINC000665335127 412265074 /nfs/dbraw/zinc/26/50/74/412265074.db2.gz JHSPFQLVIPHWQZ-SNVBAGLBSA-N 1 2 222.288 1.385 20 0 BDADLO COC(=O)NCCNc1cc[nH+]c(C2CC2)n1 ZINC000497097698 412333490 /nfs/dbraw/zinc/33/34/90/412333490.db2.gz JNPSYPOPFMXEIT-UHFFFAOYSA-N 1 2 236.275 1.122 20 0 BDADLO C[NH2+]C[C@@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000662966454 412359024 /nfs/dbraw/zinc/35/90/24/412359024.db2.gz YHCNCJOEXWCFHQ-ZCFIWIBFSA-N 1 2 244.241 1.008 20 0 BDADLO CCc1cc(N(C)Cc2nccn2C)nc(C)[nH+]1 ZINC000272854249 171760133 /nfs/dbraw/zinc/76/01/33/171760133.db2.gz KWEGZNXGWFMOFD-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cnccn2)[nH]1 ZINC000358270685 172007368 /nfs/dbraw/zinc/00/73/68/172007368.db2.gz XJDYNSNPBKRMFP-BDAKNGLRSA-N 1 2 246.318 1.569 20 0 BDADLO CCc1nn(C)cc1NCc1c[nH+]cn1C ZINC000222946398 172042740 /nfs/dbraw/zinc/04/27/40/172042740.db2.gz NFEMYNVNQLNHAO-UHFFFAOYSA-N 1 2 219.292 1.328 20 0 BDADLO CCc1nn(C)cc1NCc1[nH+]ccn1C ZINC000091070537 172043204 /nfs/dbraw/zinc/04/32/04/172043204.db2.gz IHZXJVFDVOHLJA-UHFFFAOYSA-N 1 2 219.292 1.328 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000361597133 172051069 /nfs/dbraw/zinc/05/10/69/172051069.db2.gz XLHQOJMDCJEXPA-SNVBAGLBSA-N 1 2 247.302 1.276 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000361597133 172051071 /nfs/dbraw/zinc/05/10/71/172051071.db2.gz XLHQOJMDCJEXPA-SNVBAGLBSA-N 1 2 247.302 1.276 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)Cn2cccn2)o1 ZINC000357767106 172054394 /nfs/dbraw/zinc/05/43/94/172054394.db2.gz JMKNOGHRSMHTNC-SECBINFHSA-N 1 2 235.291 1.007 20 0 BDADLO CCc1nnc(NCCn2cc[nH+]c2)nc1CC ZINC000097837125 172059528 /nfs/dbraw/zinc/05/95/28/172059528.db2.gz BIAZBAYWUZRMLF-UHFFFAOYSA-N 1 2 246.318 1.305 20 0 BDADLO CCc1nnc(NCc2cccc3[nH+]ccn32)o1 ZINC000295804962 172060069 /nfs/dbraw/zinc/06/00/69/172060069.db2.gz CKQABMPWULNBAU-UHFFFAOYSA-N 1 2 243.270 1.892 20 0 BDADLO CCc1nnc([C@@H]2C[N@@H+](C3CCC3)CCO2)o1 ZINC000369313219 172066243 /nfs/dbraw/zinc/06/62/43/172066243.db2.gz XUYIRYNNZIHCFJ-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CCc1nnc([C@@H]2C[N@H+](C3CCC3)CCO2)o1 ZINC000369313219 172066244 /nfs/dbraw/zinc/06/62/44/172066244.db2.gz XUYIRYNNZIHCFJ-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CCc1nnc([C@@H]([NH3+])c2ccccc2)o1 ZINC000011586793 172066349 /nfs/dbraw/zinc/06/63/49/172066349.db2.gz CKCRZYJDGLPJKF-JTQLQIEISA-N 1 2 203.245 1.680 20 0 BDADLO CCc1noc(C)c1CN(C)Cc1[nH+]ccn1C ZINC000162328839 172075817 /nfs/dbraw/zinc/07/58/17/172075817.db2.gz CQFPLCVZTVTEIU-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)C[C@H](C)OC)n1 ZINC000353224750 172088709 /nfs/dbraw/zinc/08/87/09/172088709.db2.gz CKKPQZFITWVUQA-DTWKUNHWSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)C[C@H](C)OC)n1 ZINC000353224750 172088711 /nfs/dbraw/zinc/08/87/11/172088711.db2.gz CKKPQZFITWVUQA-DTWKUNHWSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CCOC)n1 ZINC000077408911 172089618 /nfs/dbraw/zinc/08/96/18/172089618.db2.gz UEMWXKJZOJCFPK-MRVPVSSYSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CCOC)n1 ZINC000077408911 172089621 /nfs/dbraw/zinc/08/96/21/172089621.db2.gz UEMWXKJZOJCFPK-MRVPVSSYSA-N 1 2 213.281 1.271 20 0 BDADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000274030755 172089770 /nfs/dbraw/zinc/08/97/70/172089770.db2.gz MKOCGBHVABDFJT-HTQZYQBOSA-N 1 2 235.291 1.767 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)C[C@@H](C)OC)n1 ZINC000353224749 172090070 /nfs/dbraw/zinc/09/00/70/172090070.db2.gz CKKPQZFITWVUQA-BDAKNGLRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)C[C@@H](C)OC)n1 ZINC000353224749 172090071 /nfs/dbraw/zinc/09/00/71/172090071.db2.gz CKKPQZFITWVUQA-BDAKNGLRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000352960690 172097357 /nfs/dbraw/zinc/09/73/57/172097357.db2.gz YFNVAOSEBZQSCE-ZDUSSCGKSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000352960690 172097359 /nfs/dbraw/zinc/09/73/59/172097359.db2.gz YFNVAOSEBZQSCE-ZDUSSCGKSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1nocc1CNc1ccc(CO)c[nH+]1 ZINC000353305796 172101621 /nfs/dbraw/zinc/10/16/21/172101621.db2.gz FAWZJKRBZIWGAY-UHFFFAOYSA-N 1 2 233.271 1.736 20 0 BDADLO CCc1nsc(NCCn2cc[nH+]c2)n1 ZINC000083654142 172105485 /nfs/dbraw/zinc/10/54/85/172105485.db2.gz FCBUPHJHGWDTDQ-UHFFFAOYSA-N 1 2 223.305 1.409 20 0 BDADLO CCc1oc(C(=O)NCc2[nH]cc[nH+]2)cc1C ZINC000120475650 172111729 /nfs/dbraw/zinc/11/17/29/172111729.db2.gz JMZWDFNUMIFCLP-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CCc1ocnc1C(=O)N1CC[NH+](CC)CC1 ZINC000265754367 172121543 /nfs/dbraw/zinc/12/15/43/172121543.db2.gz ZKHGUMKBLFAZCN-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000336380705 172163944 /nfs/dbraw/zinc/16/39/44/172163944.db2.gz KHSAKPZVXSGOGS-CHWSQXEVSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000336380705 172163946 /nfs/dbraw/zinc/16/39/46/172163946.db2.gz KHSAKPZVXSGOGS-CHWSQXEVSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000336380707 172165013 /nfs/dbraw/zinc/16/50/13/172165013.db2.gz KHSAKPZVXSGOGS-STQMWFEESA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000336380707 172165016 /nfs/dbraw/zinc/16/50/16/172165016.db2.gz KHSAKPZVXSGOGS-STQMWFEESA-N 1 2 235.331 1.656 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)cn1 ZINC000353311416 172197712 /nfs/dbraw/zinc/19/77/12/172197712.db2.gz ZWRJFRJDVFJGOS-UWVGGRQHSA-N 1 2 248.334 1.443 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2cc[nH]n2)cn1 ZINC000044500273 172197924 /nfs/dbraw/zinc/19/79/24/172197924.db2.gz ZMYBSTQRNPQOHW-VIFPVBQESA-N 1 2 219.292 1.477 20 0 BDADLO CCn1cc[nH+]c1CN1CC(F)(F)C[C@@H]1CO ZINC000364604018 172220465 /nfs/dbraw/zinc/22/04/65/172220465.db2.gz HDCRPHQYIMUTOQ-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC(C)(C)[C@@H]1C ZINC000336526113 172220911 /nfs/dbraw/zinc/22/09/11/172220911.db2.gz BLKUMLZZEJBYGL-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CSC1CC1 ZINC000295725853 172223213 /nfs/dbraw/zinc/22/32/13/172223213.db2.gz QZSAQBLWORAGMX-UHFFFAOYSA-N 1 2 239.344 1.415 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000353176293 172266000 /nfs/dbraw/zinc/26/60/00/172266000.db2.gz VWRIIPBVXPXGCA-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000353176293 172266002 /nfs/dbraw/zinc/26/60/02/172266002.db2.gz VWRIIPBVXPXGCA-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1nccc1C[NH2+][C@H](COC)c1ccco1 ZINC000119445829 172273054 /nfs/dbraw/zinc/27/30/54/172273054.db2.gz NPXSKKZBWYMFPA-GFCCVEGCSA-N 1 2 249.314 1.973 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000278318646 172278526 /nfs/dbraw/zinc/27/85/26/172278526.db2.gz BZVZMPLHILUAEC-GFCCVEGCSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000278318646 172278528 /nfs/dbraw/zinc/27/85/28/172278528.db2.gz BZVZMPLHILUAEC-GFCCVEGCSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccnc1C ZINC000355604264 172282215 /nfs/dbraw/zinc/28/22/15/172282215.db2.gz ZQSOVZQZFPROJD-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccsc1 ZINC000083978144 172282604 /nfs/dbraw/zinc/28/26/04/172282604.db2.gz GHWPPPUKUJJGFP-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO CN(CC(F)(F)F)C(=O)COc1cc[nH+]cc1 ZINC000356090066 172628856 /nfs/dbraw/zinc/62/88/56/172628856.db2.gz GTBWCTVCNNDDAX-UHFFFAOYSA-N 1 2 248.204 1.481 20 0 BDADLO CN(Cc1ccsc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000035206448 172908698 /nfs/dbraw/zinc/90/86/98/172908698.db2.gz YBMCNHLZSFBDER-SNVBAGLBSA-N 1 2 224.329 1.459 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1O ZINC000270346703 173025477 /nfs/dbraw/zinc/02/54/77/173025477.db2.gz DUZCBMWZWNHDTB-SNVBAGLBSA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1O ZINC000270346703 173025480 /nfs/dbraw/zinc/02/54/80/173025480.db2.gz DUZCBMWZWNHDTB-SNVBAGLBSA-N 1 2 238.262 1.564 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000128892213 173049897 /nfs/dbraw/zinc/04/98/97/173049897.db2.gz BGFYSXLPWWKABC-VIFPVBQESA-N 1 2 249.318 1.105 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000128892213 173049900 /nfs/dbraw/zinc/04/99/00/173049900.db2.gz BGFYSXLPWWKABC-VIFPVBQESA-N 1 2 249.318 1.105 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000128892213 173049903 /nfs/dbraw/zinc/04/99/03/173049903.db2.gz BGFYSXLPWWKABC-VIFPVBQESA-N 1 2 249.318 1.105 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000128892213 173049906 /nfs/dbraw/zinc/04/99/06/173049906.db2.gz BGFYSXLPWWKABC-VIFPVBQESA-N 1 2 249.318 1.105 20 0 BDADLO CN1C[C@H]([NH2+]Cc2ncc(Cl)s2)CC1=O ZINC000308803742 173194451 /nfs/dbraw/zinc/19/44/51/173194451.db2.gz FPGZTZHEIJUNKW-ZCFIWIBFSA-N 1 2 245.735 1.117 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287014123 173273112 /nfs/dbraw/zinc/27/31/12/173273112.db2.gz QWIUOKOAHDLKLT-NSHDSACASA-N 1 2 238.356 1.877 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287014123 173273113 /nfs/dbraw/zinc/27/31/13/173273113.db2.gz QWIUOKOAHDLKLT-NSHDSACASA-N 1 2 238.356 1.877 20 0 BDADLO CNC(=O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000052183276 173273384 /nfs/dbraw/zinc/27/33/84/173273384.db2.gz KBSICNWVLCQFPV-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CNC(=O)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000052183276 173273385 /nfs/dbraw/zinc/27/33/85/173273385.db2.gz KBSICNWVLCQFPV-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000134314555 173280904 /nfs/dbraw/zinc/28/09/04/173280904.db2.gz YOFFYXMTAAEVJR-SECBINFHSA-N 1 2 207.277 1.327 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000272027781 173281344 /nfs/dbraw/zinc/28/13/44/173281344.db2.gz AWRZNXREXZURDB-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)C[C@@H](C)[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000272027781 173281345 /nfs/dbraw/zinc/28/13/45/173281345.db2.gz AWRZNXREXZURDB-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000272281578 173281484 /nfs/dbraw/zinc/28/14/84/173281484.db2.gz OGVGKZVTUAPHAE-SNVBAGLBSA-N 1 2 235.331 1.689 20 0 BDADLO CNC(=O)C[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000272281578 173281485 /nfs/dbraw/zinc/28/14/85/173281485.db2.gz OGVGKZVTUAPHAE-SNVBAGLBSA-N 1 2 235.331 1.689 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000042571554 173303890 /nfs/dbraw/zinc/30/38/90/173303890.db2.gz VHCHXKAXJFHOFH-VIFPVBQESA-N 1 2 236.319 1.455 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC000173616735 173305805 /nfs/dbraw/zinc/30/58/05/173305805.db2.gz FENZAXAMLJJVFL-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC000173616735 173305806 /nfs/dbraw/zinc/30/58/06/173305806.db2.gz FENZAXAMLJJVFL-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000027982483 173472605 /nfs/dbraw/zinc/47/26/05/173472605.db2.gz HGXADWSUAXJGSP-UHFFFAOYSA-N 1 2 200.245 1.889 20 0 BDADLO COC(=O)C[C@@H](C)SCc1c[nH+]cn1C ZINC000085191489 173623598 /nfs/dbraw/zinc/62/35/98/173623598.db2.gz AYGWDYQVZMQRHQ-MRVPVSSYSA-N 1 2 228.317 1.605 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1c[nH+]c2ccccn12 ZINC000361174386 173682394 /nfs/dbraw/zinc/68/23/94/173682394.db2.gz ABNHOOSWVYWQPO-SNVBAGLBSA-N 1 2 247.298 1.328 20 0 BDADLO CONC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255473444 322930815 /nfs/dbraw/zinc/93/08/15/322930815.db2.gz BRDBBCWTBXZEJG-DAXSKMNVSA-N 1 2 243.266 1.563 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000308846558 173805240 /nfs/dbraw/zinc/80/52/40/173805240.db2.gz AJPKTCKFWVGYCV-RKDXNWHRSA-N 1 2 229.345 1.422 20 0 BDADLO COCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951531 174058167 /nfs/dbraw/zinc/05/81/67/174058167.db2.gz GELYOUSVEVCMRQ-UHFFFAOYSA-N 1 2 231.255 1.457 20 0 BDADLO COCC(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC000292011163 174078476 /nfs/dbraw/zinc/07/84/76/174078476.db2.gz ZLALKPIIVBZNBJ-UHFFFAOYSA-N 1 2 249.318 1.448 20 0 BDADLO COCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000285689297 174107435 /nfs/dbraw/zinc/10/74/35/174107435.db2.gz AOYZBGBHABWFTK-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO COCC1=CC[N@H+](Cc2ccn(C)n2)CC1 ZINC000274965732 174117331 /nfs/dbraw/zinc/11/73/31/174117331.db2.gz JNJFJHPIWGTAAJ-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO COCC1=CC[N@@H+](Cc2ccn(C)n2)CC1 ZINC000274965732 174117332 /nfs/dbraw/zinc/11/73/32/174117332.db2.gz JNJFJHPIWGTAAJ-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO COCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378077133 174123155 /nfs/dbraw/zinc/12/31/55/174123155.db2.gz MIYVBTLWEUJIEG-UHFFFAOYSA-N 1 2 237.303 1.152 20 0 BDADLO COCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378077133 174123159 /nfs/dbraw/zinc/12/31/59/174123159.db2.gz MIYVBTLWEUJIEG-UHFFFAOYSA-N 1 2 237.303 1.152 20 0 BDADLO COCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000289020085 174168341 /nfs/dbraw/zinc/16/83/41/174168341.db2.gz XXMOMGGVOMFCQY-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO COCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000370604562 174234398 /nfs/dbraw/zinc/23/43/98/174234398.db2.gz PZNQQWACLZWABS-UHFFFAOYSA-N 1 2 232.287 1.138 20 0 BDADLO COCCCOCCN(C)c1cc[nH+]c(C)n1 ZINC000358459857 174255516 /nfs/dbraw/zinc/25/55/16/174255516.db2.gz WZNHWHPUOHRLSS-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COCCC[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000272606207 174262613 /nfs/dbraw/zinc/26/26/13/174262613.db2.gz VYYJAPMLNRWBFJ-JTQLQIEISA-N 1 2 239.319 1.099 20 0 BDADLO COCCN(CC(C)C)c1cc(CO)cc[nH+]1 ZINC000042370612 174288345 /nfs/dbraw/zinc/28/83/45/174288345.db2.gz JGXKJZBSSKFBFT-UHFFFAOYSA-N 1 2 238.331 1.683 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846062 174311904 /nfs/dbraw/zinc/31/19/04/174311904.db2.gz CXVWAANCUZUNGV-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846062 174311905 /nfs/dbraw/zinc/31/19/05/174311905.db2.gz CXVWAANCUZUNGV-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000374309087 174312219 /nfs/dbraw/zinc/31/22/19/174312219.db2.gz LMGMPFQGBNFIIQ-LLVKDONJSA-N 1 2 239.319 1.046 20 0 BDADLO COCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000374309087 174312220 /nfs/dbraw/zinc/31/22/20/174312220.db2.gz LMGMPFQGBNFIIQ-LLVKDONJSA-N 1 2 239.319 1.046 20 0 BDADLO COCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000309045577 174341263 /nfs/dbraw/zinc/34/12/63/174341263.db2.gz OILNLBMTXOLTMN-UHFFFAOYSA-N 1 2 207.277 1.721 20 0 BDADLO COCCO[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000275857001 174365845 /nfs/dbraw/zinc/36/58/45/174365845.db2.gz STIDJCGVRZOGQP-LLVKDONJSA-N 1 2 222.288 1.323 20 0 BDADLO COCCO[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000189704312 174367129 /nfs/dbraw/zinc/36/71/29/174367129.db2.gz KOCUADBMSYXFFA-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO COCCO[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000189704312 174367131 /nfs/dbraw/zinc/36/71/31/174367131.db2.gz KOCUADBMSYXFFA-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO COC[C@H](Nc1cc(C)[nH+]cn1)C1CC1 ZINC000129495739 174588102 /nfs/dbraw/zinc/58/81/02/174588102.db2.gz KZOXPKRKDGCHGK-JTQLQIEISA-N 1 2 207.277 1.622 20 0 BDADLO CO[C@H]1COC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000290811773 174901211 /nfs/dbraw/zinc/90/12/11/174901211.db2.gz ZSBFVVVPCBPBAO-JQWIXIFHSA-N 1 2 247.298 1.399 20 0 BDADLO COc1cc2c(cc1F)ncnc2-n1cc[nH+]c1 ZINC000302293341 175018372 /nfs/dbraw/zinc/01/83/72/175018372.db2.gz LQRMGPKFDMYECX-UHFFFAOYSA-N 1 2 244.229 1.963 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)nn1 ZINC000338296119 175101381 /nfs/dbraw/zinc/10/13/81/175101381.db2.gz REGLOKLIJHEUNV-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)nn1 ZINC000338296119 175101383 /nfs/dbraw/zinc/10/13/83/175101383.db2.gz REGLOKLIJHEUNV-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000155960886 175101708 /nfs/dbraw/zinc/10/17/08/175101708.db2.gz MSZKMPJFFWKNFN-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000155960886 175101711 /nfs/dbraw/zinc/10/17/11/175101711.db2.gz MSZKMPJFFWKNFN-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1OC ZINC000366532756 175101924 /nfs/dbraw/zinc/10/19/24/175101924.db2.gz SNRIHROZDVBTIT-WCQYABFASA-N 1 2 249.310 1.677 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1OC ZINC000366532756 175101926 /nfs/dbraw/zinc/10/19/26/175101926.db2.gz SNRIHROZDVBTIT-WCQYABFASA-N 1 2 249.310 1.677 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000375001948 175103126 /nfs/dbraw/zinc/10/31/26/175103126.db2.gz AUYKVTGJRXYGGM-BETUJISGSA-N 1 2 234.299 1.453 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000375001948 175103128 /nfs/dbraw/zinc/10/31/28/175103128.db2.gz AUYKVTGJRXYGGM-BETUJISGSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2nnc(C)[nH]2)c1 ZINC000269660422 175255514 /nfs/dbraw/zinc/25/55/14/175255514.db2.gz TYZBYHSCXXWDPT-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2nnc(C)[nH]2)c1 ZINC000269660422 175255517 /nfs/dbraw/zinc/25/55/17/175255517.db2.gz TYZBYHSCXXWDPT-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1cccc(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000265160604 175258072 /nfs/dbraw/zinc/25/80/72/175258072.db2.gz MNCZWIDNBUPUFB-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1cccc(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000265160604 175258074 /nfs/dbraw/zinc/25/80/74/175258074.db2.gz MNCZWIDNBUPUFB-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000172006859 175260042 /nfs/dbraw/zinc/26/00/42/175260042.db2.gz NZLCHMRDSIBPGL-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000264789124 175260672 /nfs/dbraw/zinc/26/06/72/175260672.db2.gz BHUCOMTTXUOEFZ-STQMWFEESA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000264789124 175260673 /nfs/dbraw/zinc/26/06/73/175260673.db2.gz BHUCOMTTXUOEFZ-STQMWFEESA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276422112 175268220 /nfs/dbraw/zinc/26/82/20/175268220.db2.gz CIJAOBRJKXBZNQ-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1cccc2c(N(C)CC(N)=O)cc[nH+]c12 ZINC000302727194 175300341 /nfs/dbraw/zinc/30/03/41/175300341.db2.gz KFZFSKFAYIFQTM-UHFFFAOYSA-N 1 2 245.282 1.165 20 0 BDADLO COc1ccccc1C[N@@H+]1CCOC[C@@H]1C ZINC000091815032 175327792 /nfs/dbraw/zinc/32/77/92/175327792.db2.gz BTCOHYFDZWXBDU-NSHDSACASA-N 1 2 221.300 1.916 20 0 BDADLO COc1ccccc1C[N@H+]1CCOC[C@@H]1C ZINC000091815032 175327794 /nfs/dbraw/zinc/32/77/94/175327794.db2.gz BTCOHYFDZWXBDU-NSHDSACASA-N 1 2 221.300 1.916 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@@H]3C[C@@H]32)c1 ZINC000366453311 175358616 /nfs/dbraw/zinc/35/86/16/175358616.db2.gz ZPFCXPJTKLJSOA-NWDGAFQWSA-N 1 2 220.272 1.063 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2ccon2)c1 ZINC000265782733 175359087 /nfs/dbraw/zinc/35/90/87/175359087.db2.gz KQLBUKJCRAFAKE-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ccncc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000287853261 175370495 /nfs/dbraw/zinc/37/04/95/175370495.db2.gz RHHBYUVTKAXDMR-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000287853261 175370496 /nfs/dbraw/zinc/37/04/96/175370496.db2.gz RHHBYUVTKAXDMR-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1CCC1 ZINC000294190018 175370590 /nfs/dbraw/zinc/37/05/90/175370590.db2.gz KHHVZQAHPCAXOV-UHFFFAOYSA-N 1 2 221.260 1.006 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C(C)(C)F ZINC000092285573 175374354 /nfs/dbraw/zinc/37/43/54/175374354.db2.gz YBAQEFRTZIGPPQ-UHFFFAOYSA-N 1 2 212.224 1.777 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCOC1 ZINC000131493586 175374395 /nfs/dbraw/zinc/37/43/95/175374395.db2.gz HVHSFYHIVBIEAJ-MRVPVSSYSA-N 1 2 222.244 1.065 20 0 BDADLO COc1ccsc1C[N@H+](C)[C@H]1CCNC1=O ZINC000355199233 175377047 /nfs/dbraw/zinc/37/70/47/175377047.db2.gz OZCZVRZKTGARPT-QMMMGPOBSA-N 1 2 240.328 1.077 20 0 BDADLO COc1ccsc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000355199233 175377049 /nfs/dbraw/zinc/37/70/49/175377049.db2.gz OZCZVRZKTGARPT-QMMMGPOBSA-N 1 2 240.328 1.077 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@](C)(F)C2)c(C)n1 ZINC000337196577 175399116 /nfs/dbraw/zinc/39/91/16/175399116.db2.gz XMWKBKOBGFEBIC-GFCCVEGCSA-N 1 2 239.294 1.728 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@](C)(F)C2)c(C)n1 ZINC000337196577 175399117 /nfs/dbraw/zinc/39/91/17/175399117.db2.gz XMWKBKOBGFEBIC-GFCCVEGCSA-N 1 2 239.294 1.728 20 0 BDADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293325971 175622445 /nfs/dbraw/zinc/62/24/45/175622445.db2.gz GEWWTGFVUZHZAA-BBBLOLIVSA-N 1 2 234.303 1.144 20 0 BDADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000293325971 175622447 /nfs/dbraw/zinc/62/24/47/175622447.db2.gz GEWWTGFVUZHZAA-BBBLOLIVSA-N 1 2 234.303 1.144 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000047265015 176029101 /nfs/dbraw/zinc/02/91/01/176029101.db2.gz MSMHGVRMVCQSLQ-NSHDSACASA-N 1 2 249.358 1.989 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000047265015 176029102 /nfs/dbraw/zinc/02/91/02/176029102.db2.gz MSMHGVRMVCQSLQ-NSHDSACASA-N 1 2 249.358 1.989 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCC1CC1 ZINC000122937508 176031934 /nfs/dbraw/zinc/03/19/34/176031934.db2.gz FZTSJPAHYOMCJX-JTQLQIEISA-N 1 2 236.315 1.799 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCC1CC1 ZINC000122937508 176031936 /nfs/dbraw/zinc/03/19/36/176031936.db2.gz FZTSJPAHYOMCJX-JTQLQIEISA-N 1 2 236.315 1.799 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCCn2cc[nH+]c2)C1 ZINC000267828915 176057093 /nfs/dbraw/zinc/05/70/93/176057093.db2.gz CGYUUKIZHLFBNV-LWMMSDEHSA-N 1 2 233.315 1.746 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2c[nH+]cn2C)[C@H]1C(=O)[O-] ZINC000300275964 176102003 /nfs/dbraw/zinc/10/20/03/176102003.db2.gz YGSUCTZWMVFYDZ-MWLCHTKSSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2c[nH+]cn2C)[C@H]1C(=O)[O-] ZINC000300275964 176102004 /nfs/dbraw/zinc/10/20/04/176102004.db2.gz YGSUCTZWMVFYDZ-MWLCHTKSSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000337464190 176131751 /nfs/dbraw/zinc/13/17/51/176131751.db2.gz LVNRTXUVTMTQIZ-KOLCDFICSA-N 1 2 246.314 1.301 20 0 BDADLO C[C@@H]1CCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000071208430 176151601 /nfs/dbraw/zinc/15/16/01/176151601.db2.gz VHQQGLPRKOIETH-PSASIEDQSA-N 1 2 231.303 1.964 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000119252149 176160848 /nfs/dbraw/zinc/16/08/48/176160848.db2.gz NRDUZOPAOSRHOY-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H]1CC[N@H+](CCn2cccn2)CC1(F)F ZINC000336461676 176171959 /nfs/dbraw/zinc/17/19/59/176171959.db2.gz PDXFJZGHAMOPLR-SNVBAGLBSA-N 1 2 229.274 1.860 20 0 BDADLO C[C@@H]1CC[N@@H+](CCn2cccn2)CC1(F)F ZINC000336461676 176171960 /nfs/dbraw/zinc/17/19/60/176171960.db2.gz PDXFJZGHAMOPLR-SNVBAGLBSA-N 1 2 229.274 1.860 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000277781488 176176710 /nfs/dbraw/zinc/17/67/10/176176710.db2.gz WSKXDBTWYBNEMD-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)CC[S@@]1=O ZINC000277781488 176176712 /nfs/dbraw/zinc/17/67/12/176176712.db2.gz WSKXDBTWYBNEMD-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)[C@@H]1CO ZINC000332661614 176177123 /nfs/dbraw/zinc/17/71/23/176177123.db2.gz OBUUEKGWCXHXLN-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)[C@@H]1CO ZINC000332661614 176177126 /nfs/dbraw/zinc/17/71/26/176177126.db2.gz OBUUEKGWCXHXLN-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1O ZINC000299890942 176177130 /nfs/dbraw/zinc/17/71/30/176177130.db2.gz AXWZVOQXJJAXTR-PSASIEDQSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O ZINC000299890942 176177131 /nfs/dbraw/zinc/17/71/31/176177131.db2.gz AXWZVOQXJJAXTR-PSASIEDQSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccncc2)CC[S@]1=O ZINC000277089902 176178212 /nfs/dbraw/zinc/17/82/12/176178212.db2.gz FWJCITUJJSZYAK-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccncc2)CC[S@]1=O ZINC000277089902 176178214 /nfs/dbraw/zinc/17/82/14/176178214.db2.gz FWJCITUJJSZYAK-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000299903534 176182392 /nfs/dbraw/zinc/18/23/92/176182392.db2.gz JAVOKVHNOLGWPI-BXKDBHETSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H]1CCN(c2nncs2)C[C@H]1n1cc[nH+]c1 ZINC000297352203 176183405 /nfs/dbraw/zinc/18/34/05/176183405.db2.gz BNHMUKOJODUQMG-NXEZZACHSA-N 1 2 249.343 1.822 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000360474545 176226312 /nfs/dbraw/zinc/22/63/12/176226312.db2.gz PWRRLPHYTNRVHN-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000267606766 176250964 /nfs/dbraw/zinc/25/09/64/176250964.db2.gz GFTSTUWLJRYYQE-PHIMTYICSA-N 1 2 236.319 1.181 20 0 BDADLO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353663275 176269565 /nfs/dbraw/zinc/26/95/65/176269565.db2.gz UEBMNZBGPLWAAI-UTUOFQBUSA-N 1 2 248.374 1.197 20 0 BDADLO C[C@@H]1C[N@H+](CCCCCF)CC[S@]1=O ZINC000341870589 176287545 /nfs/dbraw/zinc/28/75/45/176287545.db2.gz LOQMRDOAMCVHKG-QMTHXVAHSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@@H]1C[N@@H+](CCCCCF)CC[S@]1=O ZINC000341870589 176287547 /nfs/dbraw/zinc/28/75/47/176287547.db2.gz LOQMRDOAMCVHKG-QMTHXVAHSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCC[C@@H]2C(F)F)CCO1 ZINC000353185236 176291337 /nfs/dbraw/zinc/29/13/37/176291337.db2.gz BWEYTZYWMXILJN-GHMZBOCLSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCC[C@@H]2C(F)F)CCO1 ZINC000353185236 176291338 /nfs/dbraw/zinc/29/13/38/176291338.db2.gz BWEYTZYWMXILJN-GHMZBOCLSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H](CO)O1 ZINC000191767871 176305690 /nfs/dbraw/zinc/30/56/90/176305690.db2.gz REEFFDGDTHYCSH-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H](CO)O1 ZINC000191767871 176305691 /nfs/dbraw/zinc/30/56/91/176305691.db2.gz REEFFDGDTHYCSH-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2)CCC1=O ZINC000049693652 176307052 /nfs/dbraw/zinc/30/70/52/176307052.db2.gz CADCZIJYMXSYID-SNVBAGLBSA-N 1 2 204.273 1.493 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2)CCC1=O ZINC000049693652 176307053 /nfs/dbraw/zinc/30/70/53/176307053.db2.gz CADCZIJYMXSYID-SNVBAGLBSA-N 1 2 204.273 1.493 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[S@@](=O)C1 ZINC000277552035 176307927 /nfs/dbraw/zinc/30/79/27/176307927.db2.gz RCMHGYQPEHKOGI-BDJLRTHQSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[S@@](=O)C1 ZINC000277552035 176307930 /nfs/dbraw/zinc/30/79/30/176307930.db2.gz RCMHGYQPEHKOGI-BDJLRTHQSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000119541906 176309271 /nfs/dbraw/zinc/30/92/71/176309271.db2.gz CWGKSSQXBXIVNU-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)CC(C)(C)O1 ZINC000119541906 176309272 /nfs/dbraw/zinc/30/92/72/176309272.db2.gz CWGKSSQXBXIVNU-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnn3ccccc23)C[C@@H](C)O1 ZINC000179194259 176309938 /nfs/dbraw/zinc/30/99/38/176309938.db2.gz DKYCKBIRZNVKKC-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@H]1C ZINC000278412043 176321062 /nfs/dbraw/zinc/32/10/62/176321062.db2.gz NXVNIWIXSYFHMX-HTQZYQBOSA-N 1 2 246.318 1.038 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000374367015 176333240 /nfs/dbraw/zinc/33/32/40/176333240.db2.gz PJNRTVYXZYIHFX-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000374367015 176333242 /nfs/dbraw/zinc/33/32/42/176333242.db2.gz PJNRTVYXZYIHFX-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C/C=C/c1ccncc1 ZINC000336451505 176335013 /nfs/dbraw/zinc/33/50/13/176335013.db2.gz ZQDDHQOKSAYBQK-QAVQXKDTSA-N 1 2 218.300 1.816 20 0 BDADLO C[C@@H]1COCC[N@H+]1C/C=C/c1ccncc1 ZINC000336451505 176335014 /nfs/dbraw/zinc/33/50/14/176335014.db2.gz ZQDDHQOKSAYBQK-QAVQXKDTSA-N 1 2 218.300 1.816 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1N ZINC000035773403 176337875 /nfs/dbraw/zinc/33/78/75/176337875.db2.gz PQERDMXYZSKGPH-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1N ZINC000035773403 176337876 /nfs/dbraw/zinc/33/78/76/176337876.db2.gz PQERDMXYZSKGPH-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1CSC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000331382765 176356532 /nfs/dbraw/zinc/35/65/32/176356532.db2.gz NLHPRZUTPUIVDJ-VXNVDRBHSA-N 1 2 249.343 1.527 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000336410758 176382714 /nfs/dbraw/zinc/38/27/14/176382714.db2.gz KOBPIIARMPHBLC-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncc(Cl)s1 ZINC000336410758 176382715 /nfs/dbraw/zinc/38/27/15/176382715.db2.gz KOBPIIARMPHBLC-RNFRBKRXSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@@H]2C[C@@H]2C)[nH+]cn1 ZINC000298166201 176992536 /nfs/dbraw/zinc/99/25/36/176992536.db2.gz FJVYNSNNGNCNBO-GUBZILKMSA-N 1 2 236.319 1.337 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@@H]2C[C@@H]2C)nc[nH+]1 ZINC000298166201 176992538 /nfs/dbraw/zinc/99/25/38/176992538.db2.gz FJVYNSNNGNCNBO-GUBZILKMSA-N 1 2 236.319 1.337 20 0 BDADLO C[C@@H](O)[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000300337662 177030228 /nfs/dbraw/zinc/03/02/28/177030228.db2.gz FTWOGYKAONTCOT-RQJHMYQMSA-N 1 2 238.316 1.225 20 0 BDADLO C[C@H](c1ccc(F)cc1F)[N@H+](C)CC(N)=O ZINC000049236952 177034529 /nfs/dbraw/zinc/03/45/29/177034529.db2.gz KRKSXCCLXYHWCT-SSDOTTSWSA-N 1 2 228.242 1.443 20 0 BDADLO C[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(N)=O ZINC000049236952 177034531 /nfs/dbraw/zinc/03/45/31/177034531.db2.gz KRKSXCCLXYHWCT-SSDOTTSWSA-N 1 2 228.242 1.443 20 0 BDADLO C[C@H](c1cccc(NC(N)=O)c1)[NH+]1CCOCC1 ZINC000264191491 177036402 /nfs/dbraw/zinc/03/64/02/177036402.db2.gz BWPWZPXWSLMFSA-SNVBAGLBSA-N 1 2 249.314 1.570 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cn(C)nn1 ZINC000336784154 177037481 /nfs/dbraw/zinc/03/74/81/177037481.db2.gz WNIIJNGOQOSAPN-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336784154 177037483 /nfs/dbraw/zinc/03/74/83/177037483.db2.gz WNIIJNGOQOSAPN-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCCOCC1 ZINC000374027992 177053125 /nfs/dbraw/zinc/05/31/25/177053125.db2.gz VJLSFAIDWAOGSZ-SECBINFHSA-N 1 2 237.303 1.730 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCCOCC1 ZINC000374027992 177053126 /nfs/dbraw/zinc/05/31/26/177053126.db2.gz VJLSFAIDWAOGSZ-SECBINFHSA-N 1 2 237.303 1.730 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1[nH+]ccn1C ZINC000280478175 177057166 /nfs/dbraw/zinc/05/71/66/177057166.db2.gz IYAYFIGKHFAZFR-NXEZZACHSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccs1 ZINC000123531598 177060337 /nfs/dbraw/zinc/06/03/37/177060337.db2.gz UPJCTXQHPGLTJQ-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1 ZINC000123531598 177060340 /nfs/dbraw/zinc/06/03/40/177060340.db2.gz UPJCTXQHPGLTJQ-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000264249625 177124684 /nfs/dbraw/zinc/12/46/84/177124684.db2.gz BFHZSHSTZIXTJL-UWVGGRQHSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291015184 177125336 /nfs/dbraw/zinc/12/53/36/177125336.db2.gz NMAYNTLZMSQLAR-JQWIXIFHSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000299633893 177135123 /nfs/dbraw/zinc/13/51/23/177135123.db2.gz KUWRIUDPODOYMK-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279353409 177146878 /nfs/dbraw/zinc/14/68/78/177146878.db2.gz FLLHWILDFQTVAF-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000289230980 177146995 /nfs/dbraw/zinc/14/69/95/177146995.db2.gz OKROCBLNVFPQDR-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccccn2)CC[S@]1=O ZINC000277103322 177165205 /nfs/dbraw/zinc/16/52/05/177165205.db2.gz GPNRMRCBAZRTBF-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccccn2)CC[S@]1=O ZINC000277103322 177165207 /nfs/dbraw/zinc/16/52/07/177165207.db2.gz GPNRMRCBAZRTBF-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccncc2)CC[S@@]1=O ZINC000277089905 177167056 /nfs/dbraw/zinc/16/70/56/177167056.db2.gz FWJCITUJJSZYAK-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccncc2)CC[S@@]1=O ZINC000277089905 177167057 /nfs/dbraw/zinc/16/70/57/177167057.db2.gz FWJCITUJJSZYAK-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1CC[C@H](C)C1 ZINC000289998322 177169843 /nfs/dbraw/zinc/16/98/43/177169843.db2.gz KZCIJHZNARCZHC-BQBZGAKWSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1CC[C@H](C)C1 ZINC000289998322 177169845 /nfs/dbraw/zinc/16/98/45/177169845.db2.gz KZCIJHZNARCZHC-BQBZGAKWSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@H]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC000339172373 177191602 /nfs/dbraw/zinc/19/16/02/177191602.db2.gz YVEBGWYDYNZWRJ-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000120906378 177199875 /nfs/dbraw/zinc/19/98/75/177199875.db2.gz LTTDCOHRMSARJV-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CC[C@H](CCC(=O)NCc2c[nH+]c[nH]2)O1 ZINC000332350932 177200661 /nfs/dbraw/zinc/20/06/61/177200661.db2.gz VKVBFYJFNAYKRJ-GXSJLCMTSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@H]1CC[C@H](CCC(=O)NCc2c[nH]c[nH+]2)O1 ZINC000332350932 177200664 /nfs/dbraw/zinc/20/06/64/177200664.db2.gz VKVBFYJFNAYKRJ-GXSJLCMTSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cncs1 ZINC000270290167 177233855 /nfs/dbraw/zinc/23/38/55/177233855.db2.gz WVHYVCBIVYBCBK-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cncs1 ZINC000270290167 177233857 /nfs/dbraw/zinc/23/38/57/177233857.db2.gz WVHYVCBIVYBCBK-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1C[N@H+](CCCCCF)CC[S@]1=O ZINC000341870585 177248289 /nfs/dbraw/zinc/24/82/89/177248289.db2.gz LOQMRDOAMCVHKG-IINYFYTJSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@H]1C[N@@H+](CCCCCF)CC[S@]1=O ZINC000341870585 177248290 /nfs/dbraw/zinc/24/82/90/177248290.db2.gz LOQMRDOAMCVHKG-IINYFYTJSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000339126059 177259832 /nfs/dbraw/zinc/25/98/32/177259832.db2.gz DYMOQEFELNMEQS-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000339126059 177259834 /nfs/dbraw/zinc/25/98/34/177259834.db2.gz DYMOQEFELNMEQS-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(CO)o1 ZINC000092017871 177262303 /nfs/dbraw/zinc/26/23/03/177262303.db2.gz PUWKEXUNLOWYBK-ZJUUUORDSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(CO)o1 ZINC000092017871 177262304 /nfs/dbraw/zinc/26/23/04/177262304.db2.gz PUWKEXUNLOWYBK-ZJUUUORDSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CC(=O)N1 ZINC000294720742 177262932 /nfs/dbraw/zinc/26/29/32/177262932.db2.gz CNDFQOIUZZTBEW-VIFPVBQESA-N 1 2 222.263 1.146 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC(=O)N1 ZINC000294720742 177262933 /nfs/dbraw/zinc/26/29/33/177262933.db2.gz CNDFQOIUZZTBEW-VIFPVBQESA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@H](C)O1 ZINC000123841416 177269403 /nfs/dbraw/zinc/26/94/03/177269403.db2.gz JGTOHDHKKFHBSC-PHIMTYICSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H](C)O1 ZINC000123841416 177269405 /nfs/dbraw/zinc/26/94/05/177269405.db2.gz JGTOHDHKKFHBSC-PHIMTYICSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H](C)S1 ZINC000120520955 177270190 /nfs/dbraw/zinc/27/01/90/177270190.db2.gz CKKKFNCZDWGELY-OCAPTIKFSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csnn2)C[C@H](C)S1 ZINC000120520955 177270191 /nfs/dbraw/zinc/27/01/91/177270191.db2.gz CKKKFNCZDWGELY-OCAPTIKFSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](C)C1 ZINC000299079508 177276285 /nfs/dbraw/zinc/27/62/85/177276285.db2.gz XQCGCDGAOBTHJG-WDEREUQCSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](C)C1 ZINC000299079508 177276287 /nfs/dbraw/zinc/27/62/87/177276287.db2.gz XQCGCDGAOBTHJG-WDEREUQCSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)CC[S@](=O)C1 ZINC000278187599 177277336 /nfs/dbraw/zinc/27/73/36/177277336.db2.gz PZRQQXFKXISOPJ-BONVTDFDSA-N 1 2 224.329 1.286 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734486 177314054 /nfs/dbraw/zinc/31/40/54/177314054.db2.gz BRDYXAJMZUBPCK-HRDYMLBCSA-N 1 2 224.308 1.377 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734486 177314055 /nfs/dbraw/zinc/31/40/55/177314055.db2.gz BRDYXAJMZUBPCK-HRDYMLBCSA-N 1 2 224.308 1.377 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674312 177336830 /nfs/dbraw/zinc/33/68/30/177336830.db2.gz ISWGQDRSGFYFGJ-DTWKUNHWSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674312 177336831 /nfs/dbraw/zinc/33/68/31/177336831.db2.gz ISWGQDRSGFYFGJ-DTWKUNHWSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276567183 177343100 /nfs/dbraw/zinc/34/31/00/177343100.db2.gz JYGODWSJXVIEIM-AHQHDXANSA-N 1 2 205.261 1.195 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000352616806 177377952 /nfs/dbraw/zinc/37/79/52/177377952.db2.gz WZXTZIHMEKOBMH-UWVGGRQHSA-N 1 2 221.304 1.425 20 0 BDADLO Cc1cc(NC[C@H](O)C(F)F)nc(C2CC2)[nH+]1 ZINC000487684134 225321248 /nfs/dbraw/zinc/32/12/48/225321248.db2.gz FVCYAOLVWLIFOS-QMMMGPOBSA-N 1 2 243.257 1.122 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCC[C@H](C)C2)[nH+]1 ZINC000488360308 225387252 /nfs/dbraw/zinc/38/72/52/225387252.db2.gz BAHMGANLBAUJAP-ONGXEEELSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488360308 225387258 /nfs/dbraw/zinc/38/72/58/225387258.db2.gz BAHMGANLBAUJAP-ONGXEEELSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N(C)CC(C)C)nc(N(C)C)[nH+]1 ZINC000488372465 225388183 /nfs/dbraw/zinc/38/81/83/225388183.db2.gz VKPLVJSSIXHVLJ-UHFFFAOYSA-N 1 2 223.324 1.338 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)CC(C)C)[nH+]1 ZINC000488372465 225388184 /nfs/dbraw/zinc/38/81/84/225388184.db2.gz VKPLVJSSIXHVLJ-UHFFFAOYSA-N 1 2 223.324 1.338 20 0 BDADLO COc1ncccc1CN(C)Cc1[nH+]ccn1C ZINC000488096614 225347896 /nfs/dbraw/zinc/34/78/96/225347896.db2.gz DURJYZIUXFKLKT-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO OCC1(CNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000683390611 487646626 /nfs/dbraw/zinc/64/66/26/487646626.db2.gz AJJKLJIIYWWFAJ-UHFFFAOYSA-N 1 2 248.330 1.261 20 0 BDADLO OCC1(CNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000683390611 487646631 /nfs/dbraw/zinc/64/66/31/487646631.db2.gz AJJKLJIIYWWFAJ-UHFFFAOYSA-N 1 2 248.330 1.261 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C/C1CC1 ZINC000492743366 226044731 /nfs/dbraw/zinc/04/47/31/226044731.db2.gz YDQWBDBBCMZBQX-SNAWJCMRSA-N 1 2 219.288 1.045 20 0 BDADLO Cc1csc(NC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492760422 226047453 /nfs/dbraw/zinc/04/74/53/226047453.db2.gz DIEMFEQRBGHYAZ-IHWYPQMZSA-N 1 2 234.284 1.827 20 0 BDADLO COc1cccnc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808526 226057204 /nfs/dbraw/zinc/05/72/04/226057204.db2.gz CZSQPBVWKTVWNA-PLNGDYQASA-N 1 2 244.254 1.465 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCSCC1 ZINC000492826449 226062190 /nfs/dbraw/zinc/06/21/90/226062190.db2.gz UYEKFMPJYKEEMR-UPHRSURJSA-N 1 2 237.328 1.435 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856924 226066487 /nfs/dbraw/zinc/06/64/87/226066487.db2.gz CUANPFVBMMTHTO-MQQIIUIWSA-N 1 2 219.288 1.822 20 0 BDADLO C[C@H](O)[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862407 226069761 /nfs/dbraw/zinc/06/97/61/226069761.db2.gz KTOOICLPCBQVKP-UHGNHILRSA-N 1 2 249.314 1.185 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccccn1 ZINC000492866923 226069839 /nfs/dbraw/zinc/06/98/39/226069839.db2.gz QUZRFUQKPGBTBH-PLNGDYQASA-N 1 2 242.282 1.177 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492868658 226071913 /nfs/dbraw/zinc/07/19/13/226071913.db2.gz TXIZVFBOXRAFCE-SKNSLPIRSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccncc1 ZINC000492891974 226076061 /nfs/dbraw/zinc/07/60/61/226076061.db2.gz DLLNIJIEZWYMEJ-UPHRSURJSA-N 1 2 242.282 1.177 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(C1CC1)C1CC1 ZINC000492904474 226081808 /nfs/dbraw/zinc/08/18/08/226081808.db2.gz WVLKKGHNQCOVIV-WAYWQWQTSA-N 1 2 245.326 1.975 20 0 BDADLO Cc1cc(CCNC(=O)C=Cc2c[nH]c[nH+]2)on1 ZINC000492930435 226085872 /nfs/dbraw/zinc/08/58/72/226085872.db2.gz VSRLAGBRTAIESX-NSCUHMNNSA-N 1 2 246.270 1.078 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CC12CC2 ZINC000493318190 226183609 /nfs/dbraw/zinc/18/36/09/226183609.db2.gz JTQPHIGFKHYAMZ-IYABHPQVSA-N 1 2 217.272 1.339 20 0 BDADLO CO[C@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493326303 226187132 /nfs/dbraw/zinc/18/71/32/226187132.db2.gz SQDSCAUEMNQSCF-YEZKRMTDSA-N 1 2 235.287 1.060 20 0 BDADLO C[C@@H]1C[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000680805384 487648977 /nfs/dbraw/zinc/64/89/77/487648977.db2.gz CFPUXCXBBRRCRM-VXNVDRBHSA-N 1 2 218.260 1.517 20 0 BDADLO Cc1ccc(/C=C/C(=O)NCc2c[nH+]cn2C)o1 ZINC000493055046 226113432 /nfs/dbraw/zinc/11/34/32/226113432.db2.gz SJSNMXGDAIJPJZ-AATRIKPKSA-N 1 2 245.282 1.651 20 0 BDADLO CSC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000557046985 322933691 /nfs/dbraw/zinc/93/36/91/322933691.db2.gz CJLLOLJKBLXYSP-SSDOTTSWSA-N 1 2 225.317 1.483 20 0 BDADLO COC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493154594 226140469 /nfs/dbraw/zinc/14/04/69/226140469.db2.gz CHGXZEPCCMCBHV-NSCUHMNNSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NOCC(F)(F)F ZINC000493164218 226143347 /nfs/dbraw/zinc/14/33/47/226143347.db2.gz VEGUELNSMKOAGE-OWOJBTEDSA-N 1 2 235.165 1.033 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000493227352 226160587 /nfs/dbraw/zinc/16/05/87/226160587.db2.gz WUJRWBSQSNTBTL-XKFHPXPTSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC(C2CCC2)C1 ZINC000493265856 226170134 /nfs/dbraw/zinc/17/01/34/226170134.db2.gz NANPOZQEJLILHN-SNAWJCMRSA-N 1 2 231.299 1.681 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000493456155 226221988 /nfs/dbraw/zinc/22/19/88/226221988.db2.gz OMRKIDMGVNHUJG-VVCGMDSISA-N 1 2 235.287 1.107 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CCCCO)C1CC1 ZINC000493487140 226230815 /nfs/dbraw/zinc/23/08/15/226230815.db2.gz LZZVCADGZHJNDZ-AATRIKPKSA-N 1 2 249.314 1.186 20 0 BDADLO Cn1ccc(/C=C\C(=O)NC2=[NH+]CCS2)c1 ZINC000493592547 226245021 /nfs/dbraw/zinc/24/50/21/226245021.db2.gz DZQMNAXPQUEEOT-IHWYPQMZSA-N 1 2 235.312 1.257 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1CC(F)(F)C1 ZINC000493793749 226254400 /nfs/dbraw/zinc/25/44/00/226254400.db2.gz QKTYFWLVFAAPRJ-OWOJBTEDSA-N 1 2 241.241 1.584 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493827014 226256028 /nfs/dbraw/zinc/25/60/28/226256028.db2.gz SDXJKJKORRDROK-GFNSNHMOSA-N 1 2 233.193 1.490 20 0 BDADLO Nc1ccc(NC(=O)C=CC2CCOCC2)c[nH+]1 ZINC000493843094 226256826 /nfs/dbraw/zinc/25/68/26/226256826.db2.gz JAEBLAKJWQKDJG-RJRFIUFISA-N 1 2 247.298 1.415 20 0 BDADLO Cc1cccc(C[NH+]2CC3(C2)CN(C)C(=O)O3)c1 ZINC000496801175 226314358 /nfs/dbraw/zinc/31/43/58/226314358.db2.gz ZOPJARNDGPUXIW-UHFFFAOYSA-N 1 2 246.310 1.631 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2nc(C)no2)cn1 ZINC000507267654 226368180 /nfs/dbraw/zinc/36/81/80/226368180.db2.gz MYHJBVNLBJQJIO-MRVPVSSYSA-N 1 2 235.291 1.445 20 0 BDADLO [NH3+][C@H](C(=O)NCC1CCCC1)c1cscn1 ZINC000564833915 322935360 /nfs/dbraw/zinc/93/53/60/322935360.db2.gz CGZCFGWWWGYJCK-JTQLQIEISA-N 1 2 239.344 1.449 20 0 BDADLO FC(F)[C@H]1CC[N@H+]1CC[C@@H]1CCOC1 ZINC000895433607 583671770 /nfs/dbraw/zinc/67/17/70/583671770.db2.gz WUSHWKJJLNMJCZ-RKDXNWHRSA-N 1 2 205.248 1.752 20 0 BDADLO O[C@@H](C[NH+]1CC2(C1)CC(F)(F)C2)C(F)(F)F ZINC000680863955 487660226 /nfs/dbraw/zinc/66/02/26/487660226.db2.gz BKRGAVNPJCKHOE-LURJTMIESA-N 1 2 245.191 1.641 20 0 BDADLO COCCCOC1C[NH+](Cc2ccc(C)o2)C1 ZINC000459587048 229143684 /nfs/dbraw/zinc/14/36/84/229143684.db2.gz FPILXJQSBTYYFD-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1cccs1 ZINC000174753292 229393144 /nfs/dbraw/zinc/39/31/44/229393144.db2.gz YBKXDRICZAEVGW-VIFPVBQESA-N 1 2 249.339 1.934 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000669696554 487689904 /nfs/dbraw/zinc/68/99/04/487689904.db2.gz VWLSHZHSHGJZSY-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCCC[C@H]1C(F)F ZINC000669696554 487689906 /nfs/dbraw/zinc/68/99/06/487689906.db2.gz VWLSHZHSHGJZSY-BDAKNGLRSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1cc(NC(=O)c2ccc[nH]c2=O)cc[nH+]1 ZINC000074705856 262923391 /nfs/dbraw/zinc/92/33/91/262923391.db2.gz QXPNTBHDRBFCRW-UHFFFAOYSA-N 1 2 229.239 1.331 20 0 BDADLO Cc1cc(NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc[nH+]1 ZINC000528533696 262958270 /nfs/dbraw/zinc/95/82/70/262958270.db2.gz MKCUWGJNFUVSJH-ZPFDUUQYSA-N 1 2 248.326 1.810 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1CCS(C)(=O)=O ZINC000528762004 262971636 /nfs/dbraw/zinc/97/16/36/262971636.db2.gz IXNJCDYLWXTQJK-MRVPVSSYSA-N 1 2 241.303 1.151 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1CCS(C)(=O)=O ZINC000528762004 262971637 /nfs/dbraw/zinc/97/16/37/262971637.db2.gz IXNJCDYLWXTQJK-MRVPVSSYSA-N 1 2 241.303 1.151 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)ncn2)nn1C ZINC000669701631 487699219 /nfs/dbraw/zinc/69/92/19/487699219.db2.gz SNABMSXPYZJRMV-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CC12CCC2)Cn1cc[nH+]c1 ZINC000675333111 487710541 /nfs/dbraw/zinc/71/05/41/487710541.db2.gz HKEJRXJQFTVJSW-RYUDHWBXSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000683919992 487714918 /nfs/dbraw/zinc/71/49/18/487714918.db2.gz HSUAUVUBPKLXAF-UWVGGRQHSA-N 1 2 235.331 1.802 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000671737017 487714925 /nfs/dbraw/zinc/71/49/25/487714925.db2.gz VNMWMAXBRFCNBE-QMMMGPOBSA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000671737017 487714929 /nfs/dbraw/zinc/71/49/29/487714929.db2.gz VNMWMAXBRFCNBE-QMMMGPOBSA-N 1 2 225.292 1.414 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC2(F)F)C1 ZINC001172584745 974887654 /nfs/dbraw/zinc/88/76/54/974887654.db2.gz ADHFNPLZLXATQY-HLTSFMKQSA-N 1 2 233.258 1.715 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(CC(F)(F)F)C1 ZINC000675378492 487722522 /nfs/dbraw/zinc/72/25/22/487722522.db2.gz BVELJYVEBSIGPK-UHFFFAOYSA-N 1 2 247.220 1.294 20 0 BDADLO CCOC1(C(=O)Nc2cc[nH+]cc2C)CCC1 ZINC000668419665 487722201 /nfs/dbraw/zinc/72/22/01/487722201.db2.gz IQHNKZWWOINDPJ-UHFFFAOYSA-N 1 2 234.299 1.710 20 0 BDADLO CCc1ncc(CN(C)Cc2c[nH+]c[nH]2)cn1 ZINC000668421995 487727838 /nfs/dbraw/zinc/72/78/38/487727838.db2.gz MRCOEWRSYHZBSA-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO C[C@@H]1C[C@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665692051 487732020 /nfs/dbraw/zinc/73/20/20/487732020.db2.gz DCQZMDYIUYCOLI-SFYZADRCSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@@H]1C[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665692051 487732023 /nfs/dbraw/zinc/73/20/23/487732023.db2.gz DCQZMDYIUYCOLI-SFYZADRCSA-N 1 2 220.276 1.349 20 0 BDADLO CC1(C)CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665697803 487733270 /nfs/dbraw/zinc/73/32/70/487733270.db2.gz PRTQYBGGZPXJCM-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CC1(C)CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665697803 487733272 /nfs/dbraw/zinc/73/32/72/487733272.db2.gz PRTQYBGGZPXJCM-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CC1 ZINC000675451116 487734011 /nfs/dbraw/zinc/73/40/11/487734011.db2.gz UQYXEUYRPOUNAW-UHFFFAOYSA-N 1 2 232.283 1.471 20 0 BDADLO CCC[C@H]1C[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665704183 487734272 /nfs/dbraw/zinc/73/42/72/487734272.db2.gz FVSHLEFKQQVBBM-IUCAKERBSA-N 1 2 234.303 1.881 20 0 BDADLO CCC[C@H]1C[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665704183 487734276 /nfs/dbraw/zinc/73/42/76/487734276.db2.gz FVSHLEFKQQVBBM-IUCAKERBSA-N 1 2 234.303 1.881 20 0 BDADLO CC[C@H](COC)Nc1nc[nH+]c2c1OCCN2 ZINC000665701952 487734932 /nfs/dbraw/zinc/73/49/32/487734932.db2.gz LFGZZSHEWCZKGH-MRVPVSSYSA-N 1 2 238.291 1.118 20 0 BDADLO CC[C@H](COC)Nc1[nH+]cnc2c1OCCN2 ZINC000665701952 487734935 /nfs/dbraw/zinc/73/49/35/487734935.db2.gz LFGZZSHEWCZKGH-MRVPVSSYSA-N 1 2 238.291 1.118 20 0 BDADLO C[C@]1(O)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000665704891 487736247 /nfs/dbraw/zinc/73/62/47/487736247.db2.gz YQQMYYKYVFVUKK-LBPRGKRZSA-N 1 2 234.303 1.012 20 0 BDADLO C[C@]1(O)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000665704891 487736249 /nfs/dbraw/zinc/73/62/49/487736249.db2.gz YQQMYYKYVFVUKK-LBPRGKRZSA-N 1 2 234.303 1.012 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000088591041 487737137 /nfs/dbraw/zinc/73/71/37/487737137.db2.gz XMNYUHJYDCUXFE-NSHDSACASA-N 1 2 249.362 1.185 20 0 BDADLO c1nc(N2CCCC3(CC3)C2)c2c([nH+]1)NCCO2 ZINC000665712085 487738052 /nfs/dbraw/zinc/73/80/52/487738052.db2.gz FGYJJYXEGWPGRH-UHFFFAOYSA-N 1 2 246.314 1.661 20 0 BDADLO c1nc2c(c(N3CCCC4(CC4)C3)[nH+]1)OCCN2 ZINC000665712085 487738057 /nfs/dbraw/zinc/73/80/57/487738057.db2.gz FGYJJYXEGWPGRH-UHFFFAOYSA-N 1 2 246.314 1.661 20 0 BDADLO F[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665716706 487739415 /nfs/dbraw/zinc/73/94/15/487739415.db2.gz QOUQPMRUWAGFTH-MRVPVSSYSA-N 1 2 238.266 1.219 20 0 BDADLO F[C@@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665716706 487739420 /nfs/dbraw/zinc/73/94/20/487739420.db2.gz QOUQPMRUWAGFTH-MRVPVSSYSA-N 1 2 238.266 1.219 20 0 BDADLO C[C@H]1CN(c2nc(N)c3ccccc3[nH+]2)C[C@@H]1O ZINC000678152831 487740578 /nfs/dbraw/zinc/74/05/78/487740578.db2.gz WPWMKJSUZUKLIO-KWQFWETISA-N 1 2 244.298 1.029 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCC1CC1 ZINC000668919653 487760385 /nfs/dbraw/zinc/76/03/85/487760385.db2.gz PYDRMTAGCJQKMI-VXGBXAGGSA-N 1 2 247.342 1.830 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CC1(C)C ZINC000357410990 487765993 /nfs/dbraw/zinc/76/59/93/487765993.db2.gz BKJXLXAOUPJBQU-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681356130 487782995 /nfs/dbraw/zinc/78/29/95/487782995.db2.gz KSTXSKSLXHWRGZ-QWRGUYRKSA-N 1 2 247.342 1.800 20 0 BDADLO CC(=O)CCCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000681363630 487784431 /nfs/dbraw/zinc/78/44/31/487784431.db2.gz SQWSQUBYPWHWMA-UHFFFAOYSA-N 1 2 249.314 1.267 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)nn1C ZINC000684192498 487787006 /nfs/dbraw/zinc/78/70/06/487787006.db2.gz WOQPEFGMHZVXOX-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)nn1C ZINC000684192498 487787008 /nfs/dbraw/zinc/78/70/08/487787008.db2.gz WOQPEFGMHZVXOX-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000359855156 487790677 /nfs/dbraw/zinc/79/06/77/487790677.db2.gz XEXRBYSNDDUVJE-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1ccon1 ZINC000684209150 487794108 /nfs/dbraw/zinc/79/41/08/487794108.db2.gz ZOLMVLCAIUNUNO-OCAPTIKFSA-N 1 2 209.249 1.096 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1ccon1 ZINC000684209150 487794113 /nfs/dbraw/zinc/79/41/13/487794113.db2.gz ZOLMVLCAIUNUNO-OCAPTIKFSA-N 1 2 209.249 1.096 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652142234 487794669 /nfs/dbraw/zinc/79/46/69/487794669.db2.gz LPLQQYBUEXYHOC-JQWIXIFHSA-N 1 2 247.342 1.677 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(C)CC=CC1 ZINC000653475451 487803101 /nfs/dbraw/zinc/80/31/01/487803101.db2.gz AZLLJYWGARVQRX-LLVKDONJSA-N 1 2 248.330 1.680 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2C)sn1 ZINC000676053604 487806628 /nfs/dbraw/zinc/80/66/28/487806628.db2.gz XANLITOYICNYES-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)sn1 ZINC000676053604 487806631 /nfs/dbraw/zinc/80/66/31/487806631.db2.gz XANLITOYICNYES-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO CCc1nocc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000666449285 487811138 /nfs/dbraw/zinc/81/11/38/487811138.db2.gz AYRGTJFXTHLOFL-SECBINFHSA-N 1 2 248.286 1.252 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC1(C)C ZINC000666449663 487811987 /nfs/dbraw/zinc/81/19/87/487811987.db2.gz HFDLLAIKHKZKJY-GHMZBOCLSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCOC[C@@H]1C ZINC000678274579 487814253 /nfs/dbraw/zinc/81/42/53/487814253.db2.gz QDPHNEQFZORDDC-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCOC[C@@H]1C ZINC000678274579 487814257 /nfs/dbraw/zinc/81/42/57/487814257.db2.gz QDPHNEQFZORDDC-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000681553202 487814740 /nfs/dbraw/zinc/81/47/40/487814740.db2.gz LONWUZBWWSZTEF-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1coc(C2CC2)n1 ZINC000681598672 487820593 /nfs/dbraw/zinc/82/05/93/487820593.db2.gz UMDYIPXCQVSHMM-UHFFFAOYSA-N 1 2 243.266 1.930 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000666492312 487820635 /nfs/dbraw/zinc/82/06/35/487820635.db2.gz CEBGWTIXULOZNP-GHMZBOCLSA-N 1 2 231.299 1.686 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC2CC1(C)C2 ZINC000666493515 487820435 /nfs/dbraw/zinc/82/04/35/487820435.db2.gz GXQNVCITRCSJCH-UHFFFAOYSA-N 1 2 231.299 1.828 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)NC1CC1 ZINC000229135007 487824369 /nfs/dbraw/zinc/82/43/69/487824369.db2.gz FREYEQBZRZYGII-HTQZYQBOSA-N 1 2 239.344 1.461 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC(F)(F)CC1 ZINC000796541110 586106524 /nfs/dbraw/zinc/10/65/24/586106524.db2.gz FCXJOXIPCHCTKJ-SSDOTTSWSA-N 1 2 205.204 1.033 20 0 BDADLO CSC[C@@H]1CCC[N@@H+]1Cc1cnsn1 ZINC000846819254 588291246 /nfs/dbraw/zinc/29/12/46/588291246.db2.gz SPGYVALUIOXUIN-VIFPVBQESA-N 1 2 229.374 1.866 20 0 BDADLO CSC[C@@H]1CCC[N@H+]1Cc1cnsn1 ZINC000846819254 588291247 /nfs/dbraw/zinc/29/12/47/588291247.db2.gz SPGYVALUIOXUIN-VIFPVBQESA-N 1 2 229.374 1.866 20 0 BDADLO CCC[C@@](C)([NH2+]CCOC(F)F)C(=O)OC ZINC000851777339 588626962 /nfs/dbraw/zinc/62/69/62/588626962.db2.gz PAERUPDLUCSOSB-SNVBAGLBSA-N 1 2 239.262 1.547 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)s1 ZINC000681706860 487844267 /nfs/dbraw/zinc/84/42/67/487844267.db2.gz MXRQMZCDTQJNHR-RKDXNWHRSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)s1 ZINC000681706860 487844273 /nfs/dbraw/zinc/84/42/73/487844273.db2.gz MXRQMZCDTQJNHR-RKDXNWHRSA-N 1 2 241.360 1.303 20 0 BDADLO Fc1cncc(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000681750487 487853567 /nfs/dbraw/zinc/85/35/67/487853567.db2.gz BEKMIBIKAFETME-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO Fc1cncc(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000681750487 487853569 /nfs/dbraw/zinc/85/35/69/487853569.db2.gz BEKMIBIKAFETME-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000674470928 487863023 /nfs/dbraw/zinc/86/30/23/487863023.db2.gz YJACZRGDNMHKIU-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000674470928 487863026 /nfs/dbraw/zinc/86/30/26/487863026.db2.gz YJACZRGDNMHKIU-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681800302 487864425 /nfs/dbraw/zinc/86/44/25/487864425.db2.gz CXQUZOFSVBHWIW-VHSXEESVSA-N 1 2 234.303 1.002 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000676539116 487870585 /nfs/dbraw/zinc/87/05/85/487870585.db2.gz PGNBWRRLIBCRJF-BDAKNGLRSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000676539116 487870592 /nfs/dbraw/zinc/87/05/92/487870592.db2.gz PGNBWRRLIBCRJF-BDAKNGLRSA-N 1 2 237.290 1.095 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668194011 487872466 /nfs/dbraw/zinc/87/24/66/487872466.db2.gz WTNXHDAELQROAE-MXWKQRLJSA-N 1 2 233.315 1.473 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2cn[nH]c2C)C1 ZINC000668512987 487874210 /nfs/dbraw/zinc/87/42/10/487874210.db2.gz DQECGLIAIGXELS-UHFFFAOYSA-N 1 2 249.358 1.967 20 0 BDADLO CCc1cc(N(C)CCCC(=O)NC)nc[nH+]1 ZINC000677125116 487876080 /nfs/dbraw/zinc/87/60/80/487876080.db2.gz JAOZQBYGNFULGN-UHFFFAOYSA-N 1 2 236.319 1.001 20 0 BDADLO COC1CCC(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000681993526 487876742 /nfs/dbraw/zinc/87/67/42/487876742.db2.gz MUFQPMJHYRMBHT-UHFFFAOYSA-N 1 2 248.326 1.956 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)on2)[nH]n1 ZINC000309809040 487897447 /nfs/dbraw/zinc/89/74/47/487897447.db2.gz SYUPPTNFEYCGJO-SECBINFHSA-N 1 2 220.276 1.865 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000676718836 487905509 /nfs/dbraw/zinc/90/55/09/487905509.db2.gz DSVZEBVWODNKMC-ZJUUUORDSA-N 1 2 219.275 2.000 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000676718836 487905513 /nfs/dbraw/zinc/90/55/13/487905513.db2.gz DSVZEBVWODNKMC-ZJUUUORDSA-N 1 2 219.275 2.000 20 0 BDADLO COC[C@@H](C)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682156959 487918079 /nfs/dbraw/zinc/91/80/79/487918079.db2.gz OSVXPRJPMCPUDW-IUCAKERBSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@@H](C)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682156959 487918083 /nfs/dbraw/zinc/91/80/83/487918083.db2.gz OSVXPRJPMCPUDW-IUCAKERBSA-N 1 2 241.253 1.532 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000679875421 487919941 /nfs/dbraw/zinc/91/99/41/487919941.db2.gz OKPQYKJGYBQVGI-VIFPVBQESA-N 1 2 237.303 1.551 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCOCC3(CC3)C2)n1 ZINC000679875421 487919945 /nfs/dbraw/zinc/91/99/45/487919945.db2.gz OKPQYKJGYBQVGI-VIFPVBQESA-N 1 2 237.303 1.551 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccsc1 ZINC000669919519 487923999 /nfs/dbraw/zinc/92/39/99/487923999.db2.gz WAKOYJPKBQJSEQ-VIFPVBQESA-N 1 2 235.312 1.822 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000669063900 487924630 /nfs/dbraw/zinc/92/46/30/487924630.db2.gz FPQHTMQUXHXANW-GMTAPVOTSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000669063900 487924634 /nfs/dbraw/zinc/92/46/34/487924634.db2.gz FPQHTMQUXHXANW-GMTAPVOTSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000669066887 487927849 /nfs/dbraw/zinc/92/78/49/487927849.db2.gz VPNLQZMQPZVNFM-WRWGMCAJSA-N 1 2 247.342 1.781 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)[C@@H]1C ZINC000380638076 487927460 /nfs/dbraw/zinc/92/74/60/487927460.db2.gz NNHLJQJPXZEEDR-NXEZZACHSA-N 1 2 206.289 1.809 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1COC(C)(C)C1 ZINC000396493604 487935998 /nfs/dbraw/zinc/93/59/98/487935998.db2.gz DUCBOQDRPONQQS-MRVPVSSYSA-N 1 2 247.302 1.343 20 0 BDADLO C[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493154927 533706187 /nfs/dbraw/zinc/70/61/87/533706187.db2.gz OYQWMMRNVOOWJD-XNPJLODASA-N 1 2 205.261 1.434 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000682423754 487956981 /nfs/dbraw/zinc/95/69/81/487956981.db2.gz GRLBWWKJDQUKCG-LOWDOPEQSA-N 1 2 247.342 1.949 20 0 BDADLO Nc1ccc(NC(=O)c2conc2C2CC2)c[nH+]1 ZINC000569576622 322971185 /nfs/dbraw/zinc/97/11/85/322971185.db2.gz CQMNNQBWKRIPNL-UHFFFAOYSA-N 1 2 244.254 1.612 20 0 BDADLO Cc1c(CN(C)Cc2[nH]cc[nH+]2)cnn1C ZINC000560017727 322982144 /nfs/dbraw/zinc/98/21/44/322982144.db2.gz HAFBLXDAKAKFJC-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ns1 ZINC000560698490 322991586 /nfs/dbraw/zinc/99/15/86/322991586.db2.gz NEFJLIVUGNRFPZ-SSDOTTSWSA-N 1 2 236.300 1.666 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000566485000 323001530 /nfs/dbraw/zinc/00/15/30/323001530.db2.gz WIGDLOKZMNVTKX-QWHCGFSZSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc3cnccn23)no1 ZINC000531125617 323004990 /nfs/dbraw/zinc/00/49/90/323004990.db2.gz JIVSZYWPNVQYKD-UHFFFAOYSA-N 1 2 243.270 1.316 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCCc2occc2C1 ZINC000561791981 323007206 /nfs/dbraw/zinc/00/72/06/323007206.db2.gz HSKZXZZKNQQDQP-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO Cn1cnnc1C[N@H+]1CCCc2occc2C1 ZINC000561791981 323007207 /nfs/dbraw/zinc/00/72/07/323007207.db2.gz HSKZXZZKNQQDQP-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000128609112 323007433 /nfs/dbraw/zinc/00/74/33/323007433.db2.gz SVMRMKKSRPRHOJ-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H](C)O1 ZINC000128609112 323007434 /nfs/dbraw/zinc/00/74/34/323007434.db2.gz SVMRMKKSRPRHOJ-JOYOIKCWSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1noc(C)c1CCNc1nc(C)[nH+]cc1C ZINC000562136515 323012574 /nfs/dbraw/zinc/01/25/74/323012574.db2.gz LZESFABEDBRZMX-UHFFFAOYSA-N 1 2 246.314 1.775 20 0 BDADLO CCOC(=O)c1cnc(-n2cc[nH+]c2)nc1C ZINC000134324203 323023335 /nfs/dbraw/zinc/02/33/35/323023335.db2.gz FYYVGIRCEFZWTG-UHFFFAOYSA-N 1 2 232.243 1.147 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000562686685 323027625 /nfs/dbraw/zinc/02/76/25/323027625.db2.gz CZABINKWYONDPN-CMPLNLGQSA-N 1 2 248.282 1.331 20 0 BDADLO C[C@@H](c1cccnc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000562817524 323031430 /nfs/dbraw/zinc/03/14/30/323031430.db2.gz UIHGLUCARBVRMJ-NSHDSACASA-N 1 2 244.298 1.498 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CCCN(C(N)=O)C1 ZINC000565223506 323034307 /nfs/dbraw/zinc/03/43/07/323034307.db2.gz ZQCGEFQLWQDQOQ-JTQLQIEISA-N 1 2 249.318 1.048 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000569672142 323036373 /nfs/dbraw/zinc/03/63/73/323036373.db2.gz DZSCVLMACIKSQF-WCABBAIRSA-N 1 2 243.314 1.964 20 0 BDADLO C[C@@H]1CCCC[C@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000562962681 323036560 /nfs/dbraw/zinc/03/65/60/323036560.db2.gz QKKLMRQOFWNXJL-YPMHNXCESA-N 1 2 235.331 1.968 20 0 BDADLO Oc1cc(F)cc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000159594992 323039941 /nfs/dbraw/zinc/03/99/41/323039941.db2.gz RCGPUBVLGLDYPD-UHFFFAOYSA-N 1 2 221.235 1.544 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000569826139 323042128 /nfs/dbraw/zinc/04/21/28/323042128.db2.gz XEYSYBLOGHJCLF-OPRDCNLKSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000569826139 323042129 /nfs/dbraw/zinc/04/21/29/323042129.db2.gz XEYSYBLOGHJCLF-OPRDCNLKSA-N 1 2 239.294 1.595 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569849834 323042789 /nfs/dbraw/zinc/04/27/89/323042789.db2.gz FDPNKVTZHTULBS-CKYFFXLPSA-N 1 2 233.315 1.360 20 0 BDADLO CCC[C@@H](C)[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000570049129 323048155 /nfs/dbraw/zinc/04/81/55/323048155.db2.gz BUNLCADHFUBBCC-KOLCDFICSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cncc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000570055553 323048544 /nfs/dbraw/zinc/04/85/44/323048544.db2.gz AAIJTDYQVRHEMP-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO Cc1cncc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000570055553 323048545 /nfs/dbraw/zinc/04/85/45/323048545.db2.gz AAIJTDYQVRHEMP-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO Cc1nnc(N2CCn3cc[nH+]c3C2)n1C1CC1 ZINC000570218948 323052938 /nfs/dbraw/zinc/05/29/38/323052938.db2.gz CNHZUGMNQUPODH-UHFFFAOYSA-N 1 2 244.302 1.138 20 0 BDADLO CCOC(=O)c1noc(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000570259445 323054230 /nfs/dbraw/zinc/05/42/30/323054230.db2.gz BGRCRRSRZFUHED-YUMQZZPRSA-N 1 2 239.275 1.229 20 0 BDADLO Cc1cnn(C)c1C(=O)Nc1cc(C)[nH+]cc1C ZINC000570496904 323061163 /nfs/dbraw/zinc/06/11/63/323061163.db2.gz CIHIEAHDMBCBFW-UHFFFAOYSA-N 1 2 244.298 1.415 20 0 BDADLO CC(C)c1c[nH]nc1NC(=O)Cn1cc[nH+]c1 ZINC000570689285 323067182 /nfs/dbraw/zinc/06/71/82/323067182.db2.gz KUJGMCQUNSFQHG-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC3CCC3)ccn12 ZINC000570693270 323067405 /nfs/dbraw/zinc/06/74/05/323067405.db2.gz BFBOPMHQODVEFX-UHFFFAOYSA-N 1 2 229.283 1.925 20 0 BDADLO CN(CC1CCC1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000562969050 323075372 /nfs/dbraw/zinc/07/53/72/323075372.db2.gz CZKRYUXNRGQREQ-JTQLQIEISA-N 1 2 239.344 1.401 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)C(=O)NC(C)C)s1 ZINC000394735044 323096520 /nfs/dbraw/zinc/09/65/20/323096520.db2.gz VFENLMHOBKIFHC-SECBINFHSA-N 1 2 241.360 1.454 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2cc(C)on2)c[nH]1 ZINC000531479278 323098411 /nfs/dbraw/zinc/09/84/11/323098411.db2.gz RZKCTLHXXZUDHY-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC[C@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000534272559 323115344 /nfs/dbraw/zinc/11/53/44/323115344.db2.gz IFMUBGPKUMANBI-VIFPVBQESA-N 1 2 246.314 1.513 20 0 BDADLO Cc1cc(NC(=O)c2cscn2)c(C)c[nH+]1 ZINC000534300116 323115791 /nfs/dbraw/zinc/11/57/91/323115791.db2.gz LIIHZNMCAAXKQV-UHFFFAOYSA-N 1 2 233.296 1.829 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[C@H]1C ZINC000563398139 323122804 /nfs/dbraw/zinc/12/28/04/323122804.db2.gz OZNZYWALXCTLMV-KXUCPTDWSA-N 1 2 221.304 1.455 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[C@H]1C ZINC000563398139 323122805 /nfs/dbraw/zinc/12/28/05/323122805.db2.gz OZNZYWALXCTLMV-KXUCPTDWSA-N 1 2 221.304 1.455 20 0 BDADLO OCCOc1ccccc1-n1cc[nH+]c1 ZINC000535062974 323165062 /nfs/dbraw/zinc/16/50/62/323165062.db2.gz BODJHVGLZBHQMX-UHFFFAOYSA-N 1 2 204.229 1.243 20 0 BDADLO CC[N@H+](CCO)CC(=O)c1cc(C)n(C)c1C ZINC000050134592 323165825 /nfs/dbraw/zinc/16/58/25/323165825.db2.gz IKFSMMVIPAKINS-UHFFFAOYSA-N 1 2 238.331 1.139 20 0 BDADLO CC[N@@H+](CCO)CC(=O)c1cc(C)n(C)c1C ZINC000050134592 323165826 /nfs/dbraw/zinc/16/58/26/323165826.db2.gz IKFSMMVIPAKINS-UHFFFAOYSA-N 1 2 238.331 1.139 20 0 BDADLO Cc1cnc(CNc2cc(NC3CC3)[nH+]cn2)o1 ZINC000563690074 323173824 /nfs/dbraw/zinc/17/38/24/323173824.db2.gz VODNSFKDQWSPBO-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO Cc1cnc(CNc2cc(NC3CC3)nc[nH+]2)o1 ZINC000563690074 323173825 /nfs/dbraw/zinc/17/38/25/323173825.db2.gz VODNSFKDQWSPBO-UHFFFAOYSA-N 1 2 245.286 1.959 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1(C2CC2)CCC1 ZINC000571669967 323177708 /nfs/dbraw/zinc/17/77/08/323177708.db2.gz QAWJRYCANXBCHU-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000529448433 323177729 /nfs/dbraw/zinc/17/77/29/323177729.db2.gz RZTMILWRPLHKNL-ZWKOPEQDSA-N 1 2 247.342 1.811 20 0 BDADLO CCc1cnc(C[NH2+][C@@H](C)c2cn[nH]c2)o1 ZINC000303743422 323178019 /nfs/dbraw/zinc/17/80/19/323178019.db2.gz ZDXADZSLOWCCQQ-QMMMGPOBSA-N 1 2 220.276 1.811 20 0 BDADLO CCC(CC)[C@H](O)CNc1nc(C)[nH+]cc1C ZINC000563821058 323179348 /nfs/dbraw/zinc/17/93/48/323179348.db2.gz OIZQBYOXRLNBNU-GFCCVEGCSA-N 1 2 237.347 1.724 20 0 BDADLO CC[C@H](NC(=O)c1cccnn1)c1[nH]cc(C)[nH+]1 ZINC000529511054 323181891 /nfs/dbraw/zinc/18/18/91/323181891.db2.gz FQTMSFUUCBXBAM-VIFPVBQESA-N 1 2 245.286 1.389 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCC12CC2 ZINC000529520306 323182357 /nfs/dbraw/zinc/18/23/57/323182357.db2.gz OZHOJSRHCLDNQO-LLVKDONJSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCC12CC2 ZINC000529520306 323182358 /nfs/dbraw/zinc/18/23/58/323182358.db2.gz OZHOJSRHCLDNQO-LLVKDONJSA-N 1 2 233.315 1.948 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CO[C@H](C)C2)c(C)c[nH+]1 ZINC000525878529 323182940 /nfs/dbraw/zinc/18/29/40/323182940.db2.gz XFMMVLHRNIJCCW-MNOVXSKESA-N 1 2 234.299 1.484 20 0 BDADLO Cc1cc(N2CCC[C@@H](O)[C@H]2C)nc[nH+]1 ZINC000395021622 323185149 /nfs/dbraw/zinc/18/51/49/323185149.db2.gz NHSKNPDDRCAQJR-NXEZZACHSA-N 1 2 207.277 1.135 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000529709761 323186132 /nfs/dbraw/zinc/18/61/32/323186132.db2.gz QXSRKQHBYMRLHS-GFCCVEGCSA-N 1 2 245.326 1.528 20 0 BDADLO C[C@@]1(F)CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000535750601 323190418 /nfs/dbraw/zinc/19/04/18/323190418.db2.gz YJIUPZLZGSMBQH-CYBMUJFWSA-N 1 2 246.289 1.981 20 0 BDADLO Cc1cc(NC(=O)NCC(F)F)c(C)c[nH+]1 ZINC000536619906 323198772 /nfs/dbraw/zinc/19/87/72/323198772.db2.gz RBKWUDDLSLWYKR-UHFFFAOYSA-N 1 2 229.230 1.507 20 0 BDADLO O=C(N[C@H]1C=CCCC1)N1CCn2cc[nH+]c2C1 ZINC000532315051 323244133 /nfs/dbraw/zinc/24/41/33/323244133.db2.gz VDQYWHNGRWZHQG-NSHDSACASA-N 1 2 246.314 1.517 20 0 BDADLO NC(=O)c1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000309610499 323430845 /nfs/dbraw/zinc/43/08/45/323430845.db2.gz ZGWSIKNAHIVUAP-UHFFFAOYSA-N 1 2 216.244 1.121 20 0 BDADLO CC(C)C[NH2+]C(c1nccn1C)c1nccn1C ZINC000527754138 323678473 /nfs/dbraw/zinc/67/84/73/323678473.db2.gz MQFSBWRJLLZOAR-UHFFFAOYSA-N 1 2 247.346 1.489 20 0 BDADLO CC[C@H](NCc1cnn(CC)n1)c1[nH+]ccn1C ZINC000527925748 323731991 /nfs/dbraw/zinc/73/19/91/323731991.db2.gz WNKNHYOXKJWPTL-NSHDSACASA-N 1 2 248.334 1.272 20 0 BDADLO Cc1cc(NC(=O)c2ccnnc2C)cc[nH+]1 ZINC000533120490 323845886 /nfs/dbraw/zinc/84/58/86/323845886.db2.gz JYUYEDNZZWUDOD-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO Cc1ccc(CC(=O)NCCn2cc[nH+]c2)o1 ZINC000533121296 323847106 /nfs/dbraw/zinc/84/71/06/323847106.db2.gz KNQYLCMREMJAGP-UHFFFAOYSA-N 1 2 233.271 1.143 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000122531936 324046921 /nfs/dbraw/zinc/04/69/21/324046921.db2.gz IGDKXNIEHPGALF-ZDUSSCGKSA-N 1 2 248.326 1.998 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000122531936 324046925 /nfs/dbraw/zinc/04/69/25/324046925.db2.gz IGDKXNIEHPGALF-ZDUSSCGKSA-N 1 2 248.326 1.998 20 0 BDADLO CC(C)(C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000123084802 324081451 /nfs/dbraw/zinc/08/14/51/324081451.db2.gz BHOTXWXVWSGZKZ-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)C2)s1 ZINC000537634653 324091680 /nfs/dbraw/zinc/09/16/80/324091680.db2.gz GBCOCEPPNHLXIG-UHFFFAOYSA-N 1 2 238.356 1.585 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)C2)s1 ZINC000537634653 324091685 /nfs/dbraw/zinc/09/16/85/324091685.db2.gz GBCOCEPPNHLXIG-UHFFFAOYSA-N 1 2 238.356 1.585 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000529074267 324244157 /nfs/dbraw/zinc/24/41/57/324244157.db2.gz OTLYRTYBXXNYDM-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO CC(C)c1nocc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000529519575 324322332 /nfs/dbraw/zinc/32/23/32/324322332.db2.gz NTOIZAVNEZGYGS-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CC(C)c1nocc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000529519575 324322337 /nfs/dbraw/zinc/32/23/37/324322337.db2.gz NTOIZAVNEZGYGS-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccc(F)cn2)n1 ZINC000529604805 324361577 /nfs/dbraw/zinc/36/15/77/324361577.db2.gz HPYRMQYNYHIBGT-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(COC)on1 ZINC000529649863 324371629 /nfs/dbraw/zinc/37/16/29/324371629.db2.gz CMQAVFBUOGKXMH-NEPJUHHUSA-N 1 2 240.303 1.478 20 0 BDADLO Cc1nsc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000540036262 324883105 /nfs/dbraw/zinc/88/31/05/324883105.db2.gz MPOBJBMHIDDUFX-UHFFFAOYSA-N 1 2 221.289 1.104 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)CCO1 ZINC000540658238 324911699 /nfs/dbraw/zinc/91/16/99/324911699.db2.gz HVFKUPKCHQSBQV-MNOVXSKESA-N 1 2 249.314 1.082 20 0 BDADLO CCN(CCCO)c1nc(C)[nH+]c2c1CCCC2 ZINC000542019081 325004697 /nfs/dbraw/zinc/00/46/97/325004697.db2.gz FWGFJYJIEFWZSH-UHFFFAOYSA-N 1 2 249.358 1.873 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1C=CCC1 ZINC000542481639 325030572 /nfs/dbraw/zinc/03/05/72/325030572.db2.gz VZRJUUSQPFIMCB-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)OC)C1CCCCC1 ZINC000542614562 325037762 /nfs/dbraw/zinc/03/77/62/325037762.db2.gz SNWFQCXYWATQJM-ZYHUDNBSSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)ncn1 ZINC000131709062 325178482 /nfs/dbraw/zinc/17/84/82/325178482.db2.gz MXGBGUITPCFVSJ-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)n1 ZINC000545220750 325195565 /nfs/dbraw/zinc/19/55/65/325195565.db2.gz ZBCTZSHZDMQWLY-GFCCVEGCSA-N 1 2 247.273 1.783 20 0 BDADLO CCn1ccnc1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000545292848 325208152 /nfs/dbraw/zinc/20/81/52/325208152.db2.gz LUVZSMMQMXTLMV-UHFFFAOYSA-N 1 2 247.346 1.661 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000132408703 325214496 /nfs/dbraw/zinc/21/44/96/325214496.db2.gz ZCFNLFSVEJZQSF-UHFFFAOYSA-N 1 2 247.342 1.382 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000132408703 325214499 /nfs/dbraw/zinc/21/44/99/325214499.db2.gz ZCFNLFSVEJZQSF-UHFFFAOYSA-N 1 2 247.342 1.382 20 0 BDADLO CO[C@@H](CNC(=O)Cn1cc[nH+]c1)CC(C)C ZINC000564306590 325298938 /nfs/dbraw/zinc/29/89/38/325298938.db2.gz CXJLNUBXACSBAL-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2nccn2C)cn1 ZINC000546703567 325303114 /nfs/dbraw/zinc/30/31/14/325303114.db2.gz XPRQCFWVZQNSPA-UHFFFAOYSA-N 1 2 233.319 1.179 20 0 BDADLO OCCOCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000547301667 325336854 /nfs/dbraw/zinc/33/68/54/325336854.db2.gz SLGWKLHFLCCBNK-UHFFFAOYSA-N 1 2 248.282 1.260 20 0 BDADLO COCC(C)(C)[NH2+]Cc1noc(C(C)C)n1 ZINC000076493854 325346729 /nfs/dbraw/zinc/34/67/29/325346729.db2.gz YPJWBMFVTZOGHC-UHFFFAOYSA-N 1 2 227.308 1.708 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000547483961 325361800 /nfs/dbraw/zinc/36/18/00/325361800.db2.gz YUVBOKXCTAJZND-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO CCN(CC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000134539491 325364369 /nfs/dbraw/zinc/36/43/69/325364369.db2.gz LHBHZBIDSHNTNF-UHFFFAOYSA-N 1 2 238.335 1.667 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1cccc(O)c1 ZINC000547604169 325374206 /nfs/dbraw/zinc/37/42/06/325374206.db2.gz LNMSLBCDGWPHLP-UHFFFAOYSA-N 1 2 231.255 1.307 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnc(C2CC2)o1 ZINC000548097586 325429524 /nfs/dbraw/zinc/42/95/24/325429524.db2.gz CGZXXCCNOAVKBK-YUMQZZPRSA-N 1 2 207.277 1.930 20 0 BDADLO CC[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000548194535 325440594 /nfs/dbraw/zinc/44/05/94/325440594.db2.gz OEZGUALFIHTMFY-SECBINFHSA-N 1 2 209.293 1.220 20 0 BDADLO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548488376 325463019 /nfs/dbraw/zinc/46/30/19/325463019.db2.gz VJCFFNCMNWFQDL-UWVGGRQHSA-N 1 2 238.335 1.959 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000548516625 325465600 /nfs/dbraw/zinc/46/56/00/325465600.db2.gz OBDPTJWBQBQZCY-LLVKDONJSA-N 1 2 237.347 1.761 20 0 BDADLO CCCN(CC(F)F)C(=O)Cc1c[nH+]cn1C ZINC000548519768 325465926 /nfs/dbraw/zinc/46/59/26/325465926.db2.gz XXRQFLUAKINEEF-UHFFFAOYSA-N 1 2 245.273 1.466 20 0 BDADLO Cc1nc(N2C[C@@H]3CCCC[C@@H]32)nc(N)[nH+]1 ZINC000631337344 487968570 /nfs/dbraw/zinc/96/85/70/487968570.db2.gz CWFKVRCZEZCWLN-IUCAKERBSA-N 1 2 219.292 1.141 20 0 BDADLO Cc1nc(N)nc(N2C[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000631337344 487968574 /nfs/dbraw/zinc/96/85/74/487968574.db2.gz CWFKVRCZEZCWLN-IUCAKERBSA-N 1 2 219.292 1.141 20 0 BDADLO CCCC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000249016377 325632729 /nfs/dbraw/zinc/63/27/29/325632729.db2.gz JIKAWYRFLXAEOF-LPEHRKFASA-N 1 2 217.309 1.077 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCO1)C1CC1 ZINC000553269566 325684537 /nfs/dbraw/zinc/68/45/37/325684537.db2.gz BWCNCDTZSRBSEO-WDEREUQCSA-N 1 2 249.314 1.166 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC2CCC1CC2 ZINC000554358326 325715859 /nfs/dbraw/zinc/71/58/59/325715859.db2.gz IKZYBAWFNORUGF-MCIGGMRASA-N 1 2 233.315 1.578 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2cccc(F)c21 ZINC000555228520 325750570 /nfs/dbraw/zinc/75/05/70/325750570.db2.gz NCTJETNKEMTCMV-UHFFFAOYSA-N 1 2 245.257 1.612 20 0 BDADLO CC[C@H](C)OCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000565107886 325859254 /nfs/dbraw/zinc/85/92/54/325859254.db2.gz PSZYQZHRBQZZIE-VIFPVBQESA-N 1 2 239.319 1.576 20 0 BDADLO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000566304626 326028826 /nfs/dbraw/zinc/02/88/26/326028826.db2.gz PTNRKYJXQATBAI-ONGXEEELSA-N 1 2 211.309 1.296 20 0 BDADLO CC/C=C\CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566309502 326032075 /nfs/dbraw/zinc/03/20/75/326032075.db2.gz ZROAVWPMGZBTJI-WYGGZMRJSA-N 1 2 221.304 1.917 20 0 BDADLO CC/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566309499 326032388 /nfs/dbraw/zinc/03/23/88/326032388.db2.gz ZROAVWPMGZBTJI-DOGVGXBMSA-N 1 2 221.304 1.917 20 0 BDADLO C[N@@H+](Cc1ncccc1O)[C@H]1CCN(C2CC2)C1 ZINC000566882824 326090508 /nfs/dbraw/zinc/09/05/08/326090508.db2.gz YWRFSNQYCLGDRW-LBPRGKRZSA-N 1 2 247.342 1.456 20 0 BDADLO O=C(C[C@H]1CCCO1)Nc1c[nH+]c2n1CCCC2 ZINC000566896859 326092005 /nfs/dbraw/zinc/09/20/05/326092005.db2.gz NFRJFHJBIKWPHL-SNVBAGLBSA-N 1 2 249.314 1.727 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153638548 326104860 /nfs/dbraw/zinc/10/48/60/326104860.db2.gz ZKDBPIUVLPFPFT-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCc1cnn(C)c1 ZINC000567153418 326125183 /nfs/dbraw/zinc/12/51/83/326125183.db2.gz ZHWPNMOFUDDOHD-UHFFFAOYSA-N 1 2 245.330 1.294 20 0 BDADLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCOCC2)o1 ZINC000154492018 326146252 /nfs/dbraw/zinc/14/62/52/326146252.db2.gz FFRPURWYZYGPGZ-UHFFFAOYSA-N 1 2 247.298 1.810 20 0 BDADLO Cn1nnnc1SCc1c[nH+]c2ccccn12 ZINC000155866288 326213715 /nfs/dbraw/zinc/21/37/15/326213715.db2.gz XJLSHZPQVKSKBU-UHFFFAOYSA-N 1 2 246.299 1.150 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000567554806 326215517 /nfs/dbraw/zinc/21/55/17/326215517.db2.gz FTTRZJHKUNXOLK-SECBINFHSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC000567975570 326289577 /nfs/dbraw/zinc/28/95/77/326289577.db2.gz WOXRHTHDTZWMPG-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cc(C)no1 ZINC000568015407 326296260 /nfs/dbraw/zinc/29/62/60/326296260.db2.gz KQXSHYMYZLYJJX-UHFFFAOYSA-N 1 2 247.254 1.568 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(F)F ZINC000568068767 326303420 /nfs/dbraw/zinc/30/34/20/326303420.db2.gz RLPJVOJYIPALKF-ZETCQYMHSA-N 1 2 217.219 1.043 20 0 BDADLO O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CC(n2cc[nH+]c2)C1 ZINC000568072846 326304188 /nfs/dbraw/zinc/30/41/88/326304188.db2.gz ILTOMHSCEMLDHS-IJLUTSLNSA-N 1 2 245.326 1.703 20 0 BDADLO CCC[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568107182 326308876 /nfs/dbraw/zinc/30/88/76/326308876.db2.gz FJHZJIKHCJDTKD-GFCCVEGCSA-N 1 2 223.320 1.478 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C=CCCC1 ZINC000568198154 326324718 /nfs/dbraw/zinc/32/47/18/326324718.db2.gz UZHNASVVSLGJOO-QWRGUYRKSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C=CCCC1 ZINC000568198154 326324719 /nfs/dbraw/zinc/32/47/19/326324719.db2.gz UZHNASVVSLGJOO-QWRGUYRKSA-N 1 2 233.315 1.813 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cnc2ccccn12 ZINC000158617403 326333193 /nfs/dbraw/zinc/33/31/93/326333193.db2.gz YSKLHVUBZKENCN-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cnc2ccccn12 ZINC000158617403 326333195 /nfs/dbraw/zinc/33/31/95/326333195.db2.gz YSKLHVUBZKENCN-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC(C)CCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000568263936 326337065 /nfs/dbraw/zinc/33/70/65/326337065.db2.gz PNBNTRWUGMXHOP-UHFFFAOYSA-N 1 2 245.348 1.217 20 0 BDADLO CC(C)CCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000568263936 326337068 /nfs/dbraw/zinc/33/70/68/326337068.db2.gz PNBNTRWUGMXHOP-UHFFFAOYSA-N 1 2 245.348 1.217 20 0 BDADLO Cc1cccc(CCSc2nnnn2C)[nH+]1 ZINC000568627054 326365574 /nfs/dbraw/zinc/36/55/74/326365574.db2.gz WUPMTSYCFWDMFS-UHFFFAOYSA-N 1 2 235.316 1.248 20 0 BDADLO C[C@@H](CC(=O)NCc1cccn1C)n1cc[nH+]c1 ZINC000568637433 326370095 /nfs/dbraw/zinc/37/00/95/326370095.db2.gz OBUWRAXTQAGIGZ-NSHDSACASA-N 1 2 246.314 1.489 20 0 BDADLO Cc1c(CN(C)c2cc(C)[nH+]cn2)cnn1C ZINC000568747121 326374672 /nfs/dbraw/zinc/37/46/72/326374672.db2.gz QPTRQYHCWBTAHB-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO C[C@@H]1C[C@H](Nc2nc(N)c3ccccc3[nH+]2)CO1 ZINC000568994766 326385380 /nfs/dbraw/zinc/38/53/80/326385380.db2.gz HATSRYZEEYIXRF-BDAKNGLRSA-N 1 2 244.298 1.054 20 0 BDADLO C[C@@H](CC(=O)N1CC2(CC2)C1)n1cc[nH+]c1 ZINC000569110067 326390722 /nfs/dbraw/zinc/39/07/22/326390722.db2.gz FNLBPTXINITJRB-JTQLQIEISA-N 1 2 219.288 1.457 20 0 BDADLO Cc1nnc(NC(=O)C[N@H+]2CC[C@@H](C)C2)s1 ZINC000569123540 326392026 /nfs/dbraw/zinc/39/20/26/326392026.db2.gz UAEIRKIWTLXCCK-SSDOTTSWSA-N 1 2 240.332 1.127 20 0 BDADLO Cc1nnc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC000569123540 326392027 /nfs/dbraw/zinc/39/20/27/326392027.db2.gz UAEIRKIWTLXCCK-SSDOTTSWSA-N 1 2 240.332 1.127 20 0 BDADLO CC1=CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000569308591 326399455 /nfs/dbraw/zinc/39/94/55/326399455.db2.gz ZFMYSDJIQBPMRN-UHFFFAOYSA-N 1 2 244.298 1.175 20 0 BDADLO CC1=CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000569308591 326399456 /nfs/dbraw/zinc/39/94/56/326399456.db2.gz ZFMYSDJIQBPMRN-UHFFFAOYSA-N 1 2 244.298 1.175 20 0 BDADLO C[C@H](CC(=O)N1CC[C@H]1C1CC1)n1cc[nH+]c1 ZINC000572609587 326400677 /nfs/dbraw/zinc/40/06/77/326400677.db2.gz VBWHCBUTLBVWSY-PWSUYJOCSA-N 1 2 233.315 1.845 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC000572609585 326400709 /nfs/dbraw/zinc/40/07/09/326400709.db2.gz VBWHCBUTLBVWSY-CMPLNLGQSA-N 1 2 233.315 1.845 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCc1cccs1 ZINC000572788368 326411117 /nfs/dbraw/zinc/41/11/17/326411117.db2.gz XJOHQGCCNKHTJR-UHFFFAOYSA-N 1 2 249.339 1.694 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682509323 487973318 /nfs/dbraw/zinc/97/33/18/487973318.db2.gz PXYCZEIICWFKTH-SNVBAGLBSA-N 1 2 233.315 1.362 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682525564 487976575 /nfs/dbraw/zinc/97/65/75/487976575.db2.gz LZBVNCMBZXKLME-NWDGAFQWSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000682531459 487978861 /nfs/dbraw/zinc/97/88/61/487978861.db2.gz IUWPHRZOTJOSJA-NKWVEPMBSA-N 1 2 249.240 1.155 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000682531459 487978866 /nfs/dbraw/zinc/97/88/66/487978866.db2.gz IUWPHRZOTJOSJA-NKWVEPMBSA-N 1 2 249.240 1.155 20 0 BDADLO Cc1ccc(CC(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000677144626 487982799 /nfs/dbraw/zinc/98/27/99/487982799.db2.gz FUKIMXNWZHSQFY-UHFFFAOYSA-N 1 2 233.271 1.213 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)nc1 ZINC000400872288 487993246 /nfs/dbraw/zinc/99/32/46/487993246.db2.gz IKEZWOCOVFWZME-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)nc1 ZINC000400872288 487993250 /nfs/dbraw/zinc/99/32/50/487993250.db2.gz IKEZWOCOVFWZME-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](CC(C)=O)Cc2ccccc21 ZINC000602916954 488002315 /nfs/dbraw/zinc/00/23/15/488002315.db2.gz JBQKUEKAFVIWFJ-CYBMUJFWSA-N 1 2 247.294 1.348 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](CC(C)=O)Cc2ccccc21 ZINC000602916954 488002320 /nfs/dbraw/zinc/00/23/20/488002320.db2.gz JBQKUEKAFVIWFJ-CYBMUJFWSA-N 1 2 247.294 1.348 20 0 BDADLO C[C@@H]1SCC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655160291 488005706 /nfs/dbraw/zinc/00/57/06/488005706.db2.gz JCIJRTRETXLIMG-UWVGGRQHSA-N 1 2 242.388 1.338 20 0 BDADLO CCN1OC[C@H]([N@@H+]2CCc3ccccc3C2)C1=O ZINC000682676349 488012444 /nfs/dbraw/zinc/01/24/44/488012444.db2.gz ZAHACQASPVMZBI-ZDUSSCGKSA-N 1 2 246.310 1.207 20 0 BDADLO CCN1OC[C@H]([N@H+]2CCc3ccccc3C2)C1=O ZINC000682676349 488012449 /nfs/dbraw/zinc/01/24/49/488012449.db2.gz ZAHACQASPVMZBI-ZDUSSCGKSA-N 1 2 246.310 1.207 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2n[nH]c3ccccc32)CO1 ZINC000647253356 488017873 /nfs/dbraw/zinc/01/78/73/488017873.db2.gz LLHAUYSCBFVZQT-UWVGGRQHSA-N 1 2 231.299 1.830 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000159332826 488021673 /nfs/dbraw/zinc/02/16/73/488021673.db2.gz IEUNSUBLHNWOLY-SECBINFHSA-N 1 2 237.234 1.522 20 0 BDADLO c1cc(C[NH+]2CCSCC2)n(CC2CC2)n1 ZINC000667494623 488027007 /nfs/dbraw/zinc/02/70/07/488027007.db2.gz FLSOEJXXNINIFU-UHFFFAOYSA-N 1 2 237.372 1.842 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3c2CCC3)[C@H](C)CO1 ZINC000667517720 488036543 /nfs/dbraw/zinc/03/65/43/488036543.db2.gz CQZDYMYGYPHSNX-GHMZBOCLSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)[C@H](C)CO1 ZINC000667517720 488036552 /nfs/dbraw/zinc/03/65/52/488036552.db2.gz CQZDYMYGYPHSNX-GHMZBOCLSA-N 1 2 235.331 1.439 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nnc(C)[nH]2)c1 ZINC000682778357 488039360 /nfs/dbraw/zinc/03/93/60/488039360.db2.gz CQINAKPHZGUSBM-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nnc(C)[nH]2)c1 ZINC000682778357 488039362 /nfs/dbraw/zinc/03/93/62/488039362.db2.gz CQINAKPHZGUSBM-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(N(C)C)nc2)o1 ZINC000682780930 488041078 /nfs/dbraw/zinc/04/10/78/488041078.db2.gz PXIRSGZYHUTBKY-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO C[N@H+](Cc1cnn2c1CCC2)Cc1cnccn1 ZINC000667561944 488047114 /nfs/dbraw/zinc/04/71/14/488047114.db2.gz MHSYWMZZDJJADT-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO C[N@@H+](Cc1cnn2c1CCC2)Cc1cnccn1 ZINC000667561944 488047119 /nfs/dbraw/zinc/04/71/19/488047119.db2.gz MHSYWMZZDJJADT-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670075394 488050215 /nfs/dbraw/zinc/05/02/15/488050215.db2.gz FELNJXDSDQRWAH-UHFFFAOYSA-N 1 2 236.319 1.491 20 0 BDADLO Cc1[nH+]cc(CN2CCS[C@H](C)C2)n1C ZINC000667594403 488054915 /nfs/dbraw/zinc/05/49/15/488054915.db2.gz DPBJTYPFMRCAMD-SECBINFHSA-N 1 2 225.361 1.666 20 0 BDADLO CCN(C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670077670 488055191 /nfs/dbraw/zinc/05/51/91/488055191.db2.gz NKOFGZNAOJIWBG-UHFFFAOYSA-N 1 2 222.292 1.053 20 0 BDADLO CCc1cc(N(C)C[C@H](C)OC)nc[nH+]1 ZINC000672337905 488064167 /nfs/dbraw/zinc/06/41/67/488064167.db2.gz KVGAJDJTGRBGHT-VIFPVBQESA-N 1 2 209.293 1.510 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667639924 488065551 /nfs/dbraw/zinc/06/55/51/488065551.db2.gz GFENOEXVHJRGTK-MNOVXSKESA-N 1 2 235.331 1.439 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnn2c1CCC2 ZINC000667639924 488065553 /nfs/dbraw/zinc/06/55/53/488065553.db2.gz GFENOEXVHJRGTK-MNOVXSKESA-N 1 2 235.331 1.439 20 0 BDADLO CC[C@H](C)CC(=O)Nc1cc[nH+]cc1N(C)C ZINC000682934196 488067757 /nfs/dbraw/zinc/06/77/57/488067757.db2.gz CKWUSHTWOCZEQD-JTQLQIEISA-N 1 2 235.331 1.944 20 0 BDADLO O=C(c1cnco1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000677536066 488068201 /nfs/dbraw/zinc/06/82/01/488068201.db2.gz YIBGNCMMUCUXJW-SECBINFHSA-N 1 2 246.270 1.418 20 0 BDADLO C[C@@H](C(=O)Nc1cccc(Cl)c1O)[NH+](C)C ZINC000677599559 488082650 /nfs/dbraw/zinc/08/26/50/488082650.db2.gz XBCFVLNBRBBLJH-ZETCQYMHSA-N 1 2 242.706 1.934 20 0 BDADLO COC1(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CCCC1 ZINC000682999441 488083312 /nfs/dbraw/zinc/08/33/12/488083312.db2.gz PUPOCOBHPMBZJP-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO COC1(C[N@H+]2C[C@@H](O)CC(F)(F)C2)CCCC1 ZINC000682999441 488083314 /nfs/dbraw/zinc/08/33/14/488083314.db2.gz PUPOCOBHPMBZJP-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000683001992 488085427 /nfs/dbraw/zinc/08/54/27/488085427.db2.gz UHSSAYRIVLNEQE-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000683001992 488085431 /nfs/dbraw/zinc/08/54/31/488085431.db2.gz UHSSAYRIVLNEQE-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO CC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650686905 488091814 /nfs/dbraw/zinc/09/18/14/488091814.db2.gz MXGHHHIVAOYXGX-CYBMUJFWSA-N 1 2 243.310 1.840 20 0 BDADLO c1cnc(C[N@H+]2[C@H]3C=CC[C@@H]2CC3)nc1 ZINC000683017702 488093239 /nfs/dbraw/zinc/09/32/39/488093239.db2.gz GTDVDXZSCRJANT-WDEREUQCSA-N 1 2 201.273 1.770 20 0 BDADLO c1cnc(C[N@@H+]2[C@H]3C=CC[C@@H]2CC3)nc1 ZINC000683017702 488093241 /nfs/dbraw/zinc/09/32/41/488093241.db2.gz GTDVDXZSCRJANT-WDEREUQCSA-N 1 2 201.273 1.770 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000685616624 488094271 /nfs/dbraw/zinc/09/42/71/488094271.db2.gz BTLVGPPRFFVVRN-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000685616624 488094276 /nfs/dbraw/zinc/09/42/76/488094276.db2.gz BTLVGPPRFFVVRN-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000683019246 488094963 /nfs/dbraw/zinc/09/49/63/488094963.db2.gz MREODNUTDPCSCK-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1ccnc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000683019246 488094966 /nfs/dbraw/zinc/09/49/66/488094966.db2.gz MREODNUTDPCSCK-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@@H](C)c2nnnn2C)c1 ZINC000683030146 488100140 /nfs/dbraw/zinc/10/01/40/488100140.db2.gz XLMCAIXYEKRMND-JTQLQIEISA-N 1 2 248.334 1.225 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@@H](C)c2nnnn2C)c1 ZINC000683030146 488100144 /nfs/dbraw/zinc/10/01/44/488100144.db2.gz XLMCAIXYEKRMND-JTQLQIEISA-N 1 2 248.334 1.225 20 0 BDADLO CC[C@@]1(NC(=O)Nc2cc[nH+]cc2C)CCOC1 ZINC000683035201 488102337 /nfs/dbraw/zinc/10/23/37/488102337.db2.gz ZCBHANWAVVABAI-CYBMUJFWSA-N 1 2 249.314 1.503 20 0 BDADLO CC[C@]1([NH2+]Cc2noc(C(C)C)n2)CCOC1 ZINC000683041334 488103234 /nfs/dbraw/zinc/10/32/34/488103234.db2.gz JFIIZYPTSRRFOG-LBPRGKRZSA-N 1 2 239.319 1.852 20 0 BDADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000683079156 488106064 /nfs/dbraw/zinc/10/60/64/488106064.db2.gz MHWTXEMBAVWOSC-BDAKNGLRSA-N 1 2 248.334 1.892 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000677730323 488108721 /nfs/dbraw/zinc/10/87/21/488108721.db2.gz GGVSQNYMCBNCPZ-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000677730323 488108725 /nfs/dbraw/zinc/10/87/25/488108725.db2.gz GGVSQNYMCBNCPZ-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683110069 488111434 /nfs/dbraw/zinc/11/14/34/488111434.db2.gz XSGUZHHVIYPCKN-HLTSFMKQSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683110069 488111442 /nfs/dbraw/zinc/11/14/42/488111442.db2.gz XSGUZHHVIYPCKN-HLTSFMKQSA-N 1 2 205.248 1.344 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667763629 488111834 /nfs/dbraw/zinc/11/18/34/488111834.db2.gz DSWAQKDSXJIKQO-VHSXEESVSA-N 1 2 235.331 1.772 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667763629 488111837 /nfs/dbraw/zinc/11/18/37/488111837.db2.gz DSWAQKDSXJIKQO-VHSXEESVSA-N 1 2 235.331 1.772 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667771405 488116659 /nfs/dbraw/zinc/11/66/59/488116659.db2.gz ZXNINEPPVOICBO-ZETCQYMHSA-N 1 2 232.243 1.141 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667771405 488116665 /nfs/dbraw/zinc/11/66/65/488116665.db2.gz ZXNINEPPVOICBO-ZETCQYMHSA-N 1 2 232.243 1.141 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000667771262 488117067 /nfs/dbraw/zinc/11/70/67/488117067.db2.gz VMRPIZIAXBAFGG-MRVPVSSYSA-N 1 2 232.243 1.072 20 0 BDADLO CCC(C)(C)NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000677801747 488124509 /nfs/dbraw/zinc/12/45/09/488124509.db2.gz BXUFEUWZKAZXSS-UHFFFAOYSA-N 1 2 238.335 1.146 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1oc(C)nc1C ZINC000685564592 487546625 /nfs/dbraw/zinc/54/66/25/487546625.db2.gz CJXWGUYJQOOUSJ-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1oc(C)nc1C ZINC000685564592 487546630 /nfs/dbraw/zinc/54/66/30/487546630.db2.gz CJXWGUYJQOOUSJ-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1oc(C)nc1C ZINC000685565421 487546512 /nfs/dbraw/zinc/54/65/12/487546512.db2.gz XPQXOCKXDXPBEV-SNVBAGLBSA-N 1 2 237.303 1.002 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1oc(C)nc1C ZINC000685565421 487546517 /nfs/dbraw/zinc/54/65/17/487546517.db2.gz XPQXOCKXDXPBEV-SNVBAGLBSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1cc(NC(=O)NCC(C)(C)CO)cc[nH+]1 ZINC000119465473 487551116 /nfs/dbraw/zinc/55/11/16/487551116.db2.gz HXZXAEWKWWYVIL-UHFFFAOYSA-N 1 2 237.303 1.530 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000119491787 487552905 /nfs/dbraw/zinc/55/29/05/487552905.db2.gz DJYNIUZHBOHNTP-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)CC(C)(C)O1 ZINC000119491787 487552909 /nfs/dbraw/zinc/55/29/09/487552909.db2.gz DJYNIUZHBOHNTP-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO Cc1nc(N2CCC[C@H]2CCO)cc[nH+]1 ZINC000336697699 487555413 /nfs/dbraw/zinc/55/54/13/487555413.db2.gz OJOHEUTVMWKUTE-JTQLQIEISA-N 1 2 207.277 1.136 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(C)nc2)C1 ZINC000334646439 487531064 /nfs/dbraw/zinc/53/10/64/487531064.db2.gz PVOHCGLSOCVCAL-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO c1n[nH]cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000685466701 487531530 /nfs/dbraw/zinc/53/15/30/487531530.db2.gz BLPWGVHTOHGZDR-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO c1n[nH]cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000685466701 487531533 /nfs/dbraw/zinc/53/15/33/487531533.db2.gz BLPWGVHTOHGZDR-UHFFFAOYSA-N 1 2 228.299 1.969 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)s1 ZINC000680072363 487532175 /nfs/dbraw/zinc/53/21/75/487532175.db2.gz MYIQYUSWTXONBZ-IUCAKERBSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)s1 ZINC000680072363 487532178 /nfs/dbraw/zinc/53/21/78/487532178.db2.gz MYIQYUSWTXONBZ-IUCAKERBSA-N 1 2 241.360 1.303 20 0 BDADLO COc1ccc(N[C@H](C)Cn2cncn2)[nH+]c1 ZINC000672197654 487472899 /nfs/dbraw/zinc/47/28/99/487472899.db2.gz LAURMJYSVHYJCB-SECBINFHSA-N 1 2 233.275 1.182 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000061512821 487475652 /nfs/dbraw/zinc/47/56/52/487475652.db2.gz NGGJXCVMTUNXHW-DTWKUNHWSA-N 1 2 207.277 1.035 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C[C@@H]1CCCO1)CC2 ZINC000679893795 487481759 /nfs/dbraw/zinc/48/17/59/487481759.db2.gz DJEQVFQZFXYKCY-NSHDSACASA-N 1 2 249.314 1.103 20 0 BDADLO Cc1cc(NCC2CCC(O)CC2)nc[nH+]1 ZINC000227711760 487483485 /nfs/dbraw/zinc/48/34/85/487483485.db2.gz DXVDUEMIPMIXTP-UHFFFAOYSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)c(C)[nH]1 ZINC000673936363 487485753 /nfs/dbraw/zinc/48/57/53/487485753.db2.gz YHDSPDQPBBKLLO-UHFFFAOYSA-N 1 2 231.255 1.406 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668232281 487500001 /nfs/dbraw/zinc/50/00/01/487500001.db2.gz KHDITBZSHOFPCB-UHFFFAOYSA-N 1 2 235.331 1.032 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)NC1CC1 ZINC000674013216 487501282 /nfs/dbraw/zinc/50/12/82/487501282.db2.gz MLINSOVQALBUAS-CYBMUJFWSA-N 1 2 248.301 1.851 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)NC1CC1 ZINC000674013216 487501284 /nfs/dbraw/zinc/50/12/84/487501284.db2.gz MLINSOVQALBUAS-CYBMUJFWSA-N 1 2 248.301 1.851 20 0 BDADLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@H]1C[C@H]1C ZINC000666120219 487504327 /nfs/dbraw/zinc/50/43/27/487504327.db2.gz LSWYWYFCDWZBHL-MDZLAQPJSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1nc(N2CC(C3CCOCC3)C2)cc[nH+]1 ZINC000669661257 487509927 /nfs/dbraw/zinc/50/99/27/487509927.db2.gz GHBPJIYHABSDQT-UHFFFAOYSA-N 1 2 233.315 1.648 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C[C@H](C)C(C)(C)C)C1 ZINC000669570696 487516885 /nfs/dbraw/zinc/51/68/85/487516885.db2.gz FPPQEWLQQIWLPM-JTQLQIEISA-N 1 2 247.404 1.788 20 0 BDADLO c1noc([C@H]2COCC[N@H+]2CC2CCCC2)n1 ZINC000685416034 487517337 /nfs/dbraw/zinc/51/73/37/487517337.db2.gz YRZRMMQTKWVMCJ-LLVKDONJSA-N 1 2 237.303 1.633 20 0 BDADLO c1noc([C@H]2COCC[N@@H+]2CC2CCCC2)n1 ZINC000685416034 487517341 /nfs/dbraw/zinc/51/73/41/487517341.db2.gz YRZRMMQTKWVMCJ-LLVKDONJSA-N 1 2 237.303 1.633 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CCCC1 ZINC000674092552 487518316 /nfs/dbraw/zinc/51/83/16/487518316.db2.gz OSHPOBUTBSBHMR-SECBINFHSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1[nH+]cccc1Cn1nnnc1C(C)(C)C ZINC000685579126 487557087 /nfs/dbraw/zinc/55/70/87/487557087.db2.gz KXHKOZRVCQNVDV-UHFFFAOYSA-N 1 2 231.303 1.722 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(CCF)CC1 ZINC000685739873 487575370 /nfs/dbraw/zinc/57/53/70/487575370.db2.gz DHBJAMKQKXEKIB-UHFFFAOYSA-N 1 2 237.278 1.406 20 0 BDADLO Cn1nc(CNCc2[nH]cc[nH+]2)c2ccccc21 ZINC000680546087 487614314 /nfs/dbraw/zinc/61/43/14/487614314.db2.gz VVXCPXSFHKFFDI-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO Cn1nc(C[NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000680546087 487614318 /nfs/dbraw/zinc/61/43/18/487614318.db2.gz VVXCPXSFHKFFDI-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC1(C)C ZINC000668448017 487769822 /nfs/dbraw/zinc/76/98/22/487769822.db2.gz IKRPKORZKJQXFO-VIFPVBQESA-N 1 2 221.304 1.804 20 0 BDADLO CCc1nocc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448003 487769862 /nfs/dbraw/zinc/76/98/62/487769862.db2.gz HWQNVLNUQDDFFW-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO COCC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000676079632 487810316 /nfs/dbraw/zinc/81/03/16/487810316.db2.gz FUSVXHWYOKJDIO-QMMMGPOBSA-N 1 2 239.323 1.083 20 0 BDADLO COCC[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000676079632 487810323 /nfs/dbraw/zinc/81/03/23/487810323.db2.gz FUSVXHWYOKJDIO-QMMMGPOBSA-N 1 2 239.323 1.083 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N2CCCC2)nc1 ZINC000676492183 487857340 /nfs/dbraw/zinc/85/73/40/487857340.db2.gz LMGREDVTCHENPH-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCCC2)nc1 ZINC000676492183 487857343 /nfs/dbraw/zinc/85/73/43/487857343.db2.gz LMGREDVTCHENPH-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cc[nH]n1 ZINC000164836380 487901398 /nfs/dbraw/zinc/90/13/98/487901398.db2.gz ZOTOINMVOPBNHQ-UHFFFAOYSA-N 1 2 219.292 1.306 20 0 BDADLO c1cc2c(nc[nH+]c2N2CCc3cn[nH]c3C2)[nH]1 ZINC000676767937 487924159 /nfs/dbraw/zinc/92/41/59/487924159.db2.gz REHSHQSULRNMTG-UHFFFAOYSA-N 1 2 240.270 1.244 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)c1cnco1 ZINC000677503324 488053698 /nfs/dbraw/zinc/05/36/98/488053698.db2.gz HOLUGTMMJHQFRX-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO c1n[nH]c2c1CC[N@H+](Cc1cnn3c1CCC3)C2 ZINC000667661471 488078480 /nfs/dbraw/zinc/07/84/80/488078480.db2.gz IJHXXWAWXJONBJ-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO COc1cc(C[N@@H+]2CCc3cn[nH]c3C2)ccn1 ZINC000677819733 488135877 /nfs/dbraw/zinc/13/58/77/488135877.db2.gz OFNGUWDRIDEQGW-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cc(C[N@H+]2CCc3cn[nH]c3C2)ccn1 ZINC000677819733 488135881 /nfs/dbraw/zinc/13/58/81/488135881.db2.gz OFNGUWDRIDEQGW-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@@H]2COC[C@@H]2C1 ZINC000685918310 488148731 /nfs/dbraw/zinc/14/87/31/488148731.db2.gz ACCVOOAMXWVMEE-PHIMTYICSA-N 1 2 243.310 1.656 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1nncn1CC ZINC000230751961 488151648 /nfs/dbraw/zinc/15/16/48/488151648.db2.gz YPNPDCQHUGQTMO-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO COc1ccc(CN(C)Cc2c[nH+]cn2C)cn1 ZINC000677898111 488152156 /nfs/dbraw/zinc/15/21/56/488152156.db2.gz RTFNIWJDTQCAEV-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CCn1cc(C[NH2+]Cc2cnn(C(C)C)c2)nn1 ZINC000404510592 488165660 /nfs/dbraw/zinc/16/56/60/488165660.db2.gz QHKUAOPMYNXQKB-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO Cc1cccn2c(NC(=O)NCCCO)c[nH+]c12 ZINC000667948161 488166517 /nfs/dbraw/zinc/16/65/17/488166517.db2.gz QOESMETZEGZPFL-UHFFFAOYSA-N 1 2 248.286 1.147 20 0 BDADLO FC1=CCC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000667952783 488167069 /nfs/dbraw/zinc/16/70/69/488167069.db2.gz HLSLWFAUJUPEKF-UHFFFAOYSA-N 1 2 221.279 1.888 20 0 BDADLO FC1=CCC[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000667952783 488167073 /nfs/dbraw/zinc/16/70/73/488167073.db2.gz HLSLWFAUJUPEKF-UHFFFAOYSA-N 1 2 221.279 1.888 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000681553955 488172874 /nfs/dbraw/zinc/17/28/74/488172874.db2.gz MHZVZLHWXCTMTF-GRYCIOLGSA-N 1 2 247.342 1.560 20 0 BDADLO CN(C)C(=O)CCC[N@@H+]1CCCC(F)(F)C1 ZINC000653778175 488178426 /nfs/dbraw/zinc/17/84/26/488178426.db2.gz JAQABFIYDWJQMN-UHFFFAOYSA-N 1 2 234.290 1.586 20 0 BDADLO CN(C)C(=O)CCC[N@H+]1CCCC(F)(F)C1 ZINC000653778175 488178433 /nfs/dbraw/zinc/17/84/33/488178433.db2.gz JAQABFIYDWJQMN-UHFFFAOYSA-N 1 2 234.290 1.586 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000665970943 488179419 /nfs/dbraw/zinc/17/94/19/488179419.db2.gz IYQJCRZPFDNRBD-SECBINFHSA-N 1 2 233.315 1.526 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000665970943 488179420 /nfs/dbraw/zinc/17/94/20/488179420.db2.gz IYQJCRZPFDNRBD-SECBINFHSA-N 1 2 233.315 1.526 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1COC(C)(C)C1 ZINC000664144340 488187034 /nfs/dbraw/zinc/18/70/34/488187034.db2.gz FBOLPIJMADFSOZ-VIFPVBQESA-N 1 2 237.303 1.773 20 0 BDADLO CCCn1nccc1C[NH2+][C@@H](C)c1nc(C)no1 ZINC000668049953 488195218 /nfs/dbraw/zinc/19/52/18/488195218.db2.gz BGUOHKYBOULOKA-VIFPVBQESA-N 1 2 249.318 1.835 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1NC(=O)[C@H]2C[C@H](C)CCN21 ZINC000668121816 488206821 /nfs/dbraw/zinc/20/68/21/488206821.db2.gz PTSRTBYKCIEQNY-CKYFFXLPSA-N 1 2 248.330 1.132 20 0 BDADLO Cc1cc(N[C@@H](C)c2csnn2)nc[nH+]1 ZINC000398329048 488216181 /nfs/dbraw/zinc/21/61/81/488216181.db2.gz ZYQPLHKZIJWSLM-ZETCQYMHSA-N 1 2 221.289 1.810 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000668746635 488218337 /nfs/dbraw/zinc/21/83/37/488218337.db2.gz RUYHKZRAFDUSGW-VXGBXAGGSA-N 1 2 248.326 1.820 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCc1[nH+]ccn1C ZINC000668193327 488219691 /nfs/dbraw/zinc/21/96/91/488219691.db2.gz ATVPBDOJFOCJBW-SNVBAGLBSA-N 1 2 247.298 1.508 20 0 BDADLO O=C(NCCCCO)Nc1ccc2[nH+]ccn2c1 ZINC000683786819 488222257 /nfs/dbraw/zinc/22/22/57/488222257.db2.gz MTXUIYNBAZOKLN-UHFFFAOYSA-N 1 2 248.286 1.228 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268453 488231254 /nfs/dbraw/zinc/23/12/54/488231254.db2.gz BJEWGPASLCPFRR-PHIMTYICSA-N 1 2 243.310 1.926 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268453 488231247 /nfs/dbraw/zinc/23/12/47/488231247.db2.gz BJEWGPASLCPFRR-PHIMTYICSA-N 1 2 243.310 1.926 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268453 488231249 /nfs/dbraw/zinc/23/12/49/488231249.db2.gz BJEWGPASLCPFRR-PHIMTYICSA-N 1 2 243.310 1.926 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268453 488231252 /nfs/dbraw/zinc/23/12/52/488231252.db2.gz BJEWGPASLCPFRR-PHIMTYICSA-N 1 2 243.310 1.926 20 0 BDADLO CN(C(=O)NCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000683854322 488232130 /nfs/dbraw/zinc/23/21/30/488232130.db2.gz NXMMSNLNJIPYDZ-UHFFFAOYSA-N 1 2 236.319 1.884 20 0 BDADLO CN(C(=O)NCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000683854322 488232131 /nfs/dbraw/zinc/23/21/31/488232131.db2.gz NXMMSNLNJIPYDZ-UHFFFAOYSA-N 1 2 236.319 1.884 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCOCC12CCC2 ZINC000678270957 488232883 /nfs/dbraw/zinc/23/28/83/488232883.db2.gz FENHZDUBRQPZHJ-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCOCC12CCC2 ZINC000678270957 488232885 /nfs/dbraw/zinc/23/28/85/488232885.db2.gz FENHZDUBRQPZHJ-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000683897345 488239538 /nfs/dbraw/zinc/23/95/38/488239538.db2.gz ZOIXFUOSZKKRNS-BDAKNGLRSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000683897345 488239539 /nfs/dbraw/zinc/23/95/39/488239539.db2.gz ZOIXFUOSZKKRNS-BDAKNGLRSA-N 1 2 224.304 1.901 20 0 BDADLO CC[C@H]1C[N@H+](Cc2oc(C)nc2C)CCO1 ZINC000683897811 488239722 /nfs/dbraw/zinc/23/97/22/488239722.db2.gz CGPXBICUTSDUJY-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2oc(C)nc2C)CCO1 ZINC000683897811 488239724 /nfs/dbraw/zinc/23/97/24/488239724.db2.gz CGPXBICUTSDUJY-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO COC[C@H]([NH2+]Cc1cn(C)cn1)c1ccccc1 ZINC000683899372 488241195 /nfs/dbraw/zinc/24/11/95/488241195.db2.gz FBHZOZZVIGQUNL-AWEZNQCLSA-N 1 2 245.326 1.897 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672149228 488242022 /nfs/dbraw/zinc/24/20/22/488242022.db2.gz JHNCEABQSBSPKR-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153687 488242582 /nfs/dbraw/zinc/24/25/82/488242582.db2.gz AUIDXFZQMPJMBY-WCFLWFBJSA-N 1 2 247.342 1.606 20 0 BDADLO O=C(Cc1ccco1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672156455 488242590 /nfs/dbraw/zinc/24/25/90/488242590.db2.gz MBFNTGYFCOFNIH-SNVBAGLBSA-N 1 2 245.282 1.150 20 0 BDADLO CCC1(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000683919935 488244595 /nfs/dbraw/zinc/24/45/95/488244595.db2.gz QMECPCHNRUVPDA-UHFFFAOYSA-N 1 2 235.331 1.994 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)ccn1 ZINC000684041873 488257535 /nfs/dbraw/zinc/25/75/35/488257535.db2.gz DPMBPZITIWYFHN-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)CCOC(C)(C)C ZINC000672546906 488258839 /nfs/dbraw/zinc/25/88/39/488258839.db2.gz UZUZIUIGXRHDDG-JTQLQIEISA-N 1 2 240.351 1.623 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)CCOC(C)(C)C ZINC000672546906 488258841 /nfs/dbraw/zinc/25/88/41/488258841.db2.gz UZUZIUIGXRHDDG-JTQLQIEISA-N 1 2 240.351 1.623 20 0 BDADLO CCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000672667202 488263428 /nfs/dbraw/zinc/26/34/28/488263428.db2.gz WBPOLUSFXDGKRF-SECBINFHSA-N 1 2 209.293 1.647 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nnc(C)s1 ZINC000678623034 488272895 /nfs/dbraw/zinc/27/28/95/488272895.db2.gz IWMLFJITDUYBND-ZETCQYMHSA-N 1 2 215.322 1.313 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nnc(C)s1 ZINC000678623034 488272896 /nfs/dbraw/zinc/27/28/96/488272896.db2.gz IWMLFJITDUYBND-ZETCQYMHSA-N 1 2 215.322 1.313 20 0 BDADLO CC(C)CCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000684190608 488273366 /nfs/dbraw/zinc/27/33/66/488273366.db2.gz VUCPWUGFMMYOAA-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C)ncn1)c1nccn1C ZINC000678774546 488282188 /nfs/dbraw/zinc/28/21/88/488282188.db2.gz LGDVAYAWYOSMGL-LBPRGKRZSA-N 1 2 245.330 1.759 20 0 BDADLO CC(C)N1C[C@@H](Nc2cc[nH+]cc2F)CC1=O ZINC000678787433 488282883 /nfs/dbraw/zinc/28/28/83/488282883.db2.gz OITXXGLYZQEQTL-VIFPVBQESA-N 1 2 237.278 1.064 20 0 BDADLO CCN(CC)C(=O)CN(C)c1cc[nH+]cc1F ZINC000678788971 488283425 /nfs/dbraw/zinc/28/34/25/488283425.db2.gz RKCNWDNCGUGJJF-UHFFFAOYSA-N 1 2 239.294 1.525 20 0 BDADLO CCc1nn(C)cc1C[N@H+](C)Cc1cc[nH]n1 ZINC000678828030 488288346 /nfs/dbraw/zinc/28/83/46/488288346.db2.gz LCLIDSIIVGJFSI-UHFFFAOYSA-N 1 2 233.319 1.338 20 0 BDADLO CCc1nn(C)cc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000678828030 488288347 /nfs/dbraw/zinc/28/83/47/488288347.db2.gz LCLIDSIIVGJFSI-UHFFFAOYSA-N 1 2 233.319 1.338 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1nc2c(s1)CCC2 ZINC000678830060 488288804 /nfs/dbraw/zinc/28/88/04/488288804.db2.gz HDBNNSAINQXYDY-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1nc2c(s1)CCC2 ZINC000678830060 488288806 /nfs/dbraw/zinc/28/88/06/488288806.db2.gz HDBNNSAINQXYDY-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO c1ccc2c(C[NH2+]CC3=CCCOC3)n[nH]c2c1 ZINC000673615851 488298157 /nfs/dbraw/zinc/29/81/57/488298157.db2.gz RTGBVZXMBRLTMX-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO Cc1cccc2c1CCN2C(=O)Cn1cc[nH+]c1 ZINC000673652741 488299433 /nfs/dbraw/zinc/29/94/33/488299433.db2.gz OTYRGLUVYGJIRX-UHFFFAOYSA-N 1 2 241.294 1.781 20 0 BDADLO CCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000684372213 488302261 /nfs/dbraw/zinc/30/22/61/488302261.db2.gz JOPHTDOBGUQQCP-SNVBAGLBSA-N 1 2 223.320 1.658 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1F ZINC000679219591 488317688 /nfs/dbraw/zinc/31/76/88/488317688.db2.gz DONFLHSHTBNGGV-MWLCHTKSSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1F ZINC000679219591 488317690 /nfs/dbraw/zinc/31/76/90/488317690.db2.gz DONFLHSHTBNGGV-MWLCHTKSSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@@H]1F ZINC000679223829 488320941 /nfs/dbraw/zinc/32/09/41/488320941.db2.gz LZUWRORZEQNPRJ-RYUDHWBXSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1F ZINC000679226353 488322370 /nfs/dbraw/zinc/32/23/70/488322370.db2.gz UKMTXMNVWOYKMW-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1F ZINC000679226353 488322372 /nfs/dbraw/zinc/32/23/72/488322372.db2.gz UKMTXMNVWOYKMW-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO c1cn(-c2cc(N3CC=CCC3)ncn2)c[nH+]1 ZINC000679280287 488328607 /nfs/dbraw/zinc/32/86/07/488328607.db2.gz XKCPHQYFTVHITJ-UHFFFAOYSA-N 1 2 227.271 1.429 20 0 BDADLO COCC1(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000679306001 488333344 /nfs/dbraw/zinc/33/33/44/488333344.db2.gz LAPVCSLZCBVQLD-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000679335591 488341279 /nfs/dbraw/zinc/34/12/79/488341279.db2.gz FJNDAGZRAMAHBH-RKDXNWHRSA-N 1 2 234.307 1.049 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2c[nH]nc2C)[nH]1 ZINC000679360714 488346561 /nfs/dbraw/zinc/34/65/61/488346561.db2.gz QAAZPZZYBYCTPJ-IONNQARKSA-N 1 2 248.334 1.810 20 0 BDADLO COC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000679753414 488365777 /nfs/dbraw/zinc/36/57/77/488365777.db2.gz HIOVCEJWGUKAMV-UHFFFAOYSA-N 1 2 245.282 1.842 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@@H](C)c1ccncc1 ZINC000679834153 488367334 /nfs/dbraw/zinc/36/73/34/488367334.db2.gz UAZPIOZMSSGSGA-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@@H](C)c1ccncc1 ZINC000679834153 488367336 /nfs/dbraw/zinc/36/73/36/488367336.db2.gz UAZPIOZMSSGSGA-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CCCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679842518 488368118 /nfs/dbraw/zinc/36/81/18/488368118.db2.gz FBSRLTORWAPMCK-UHFFFAOYSA-N 1 2 236.319 1.517 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CC[C@H](O)CC1 ZINC000493157218 490118125 /nfs/dbraw/zinc/11/81/25/490118125.db2.gz QDJUNBGXXFHJTI-GLJYJBGDSA-N 1 2 249.314 1.185 20 0 BDADLO O=S1(=O)CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000068941812 490136544 /nfs/dbraw/zinc/13/65/44/490136544.db2.gz WGSZLUROXOBQQU-VIFPVBQESA-N 1 2 226.301 1.071 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCC12CCCC2 ZINC000649655586 490199263 /nfs/dbraw/zinc/19/92/63/490199263.db2.gz HMBRFTKTFXAPJG-UHFFFAOYSA-N 1 2 249.362 1.992 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCC12CCCC2 ZINC000649655586 490199269 /nfs/dbraw/zinc/19/92/69/490199269.db2.gz HMBRFTKTFXAPJG-UHFFFAOYSA-N 1 2 249.362 1.992 20 0 BDADLO C[C@H](Cc1nc(N(C)C)no1)n1cc[nH+]c1 ZINC000351404672 490249009 /nfs/dbraw/zinc/24/90/09/490249009.db2.gz LSYOPJRABMQDBS-MRVPVSSYSA-N 1 2 221.264 1.136 20 0 BDADLO O[C@@H]1CCC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000674747778 490253820 /nfs/dbraw/zinc/25/38/20/490253820.db2.gz OSZMFWHGBQCBOP-QMTHXVAHSA-N 1 2 243.310 1.625 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)on1 ZINC000073069348 490418944 /nfs/dbraw/zinc/41/89/44/490418944.db2.gz QMQVSEUYTHBXRW-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000130825002 490454837 /nfs/dbraw/zinc/45/48/37/490454837.db2.gz FEPXTJPWTQURGH-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725033 490458668 /nfs/dbraw/zinc/45/86/68/490458668.db2.gz XQRPDMMZMRRTAU-UWVGGRQHSA-N 1 2 233.315 1.766 20 0 BDADLO CCCc1nc(C[N@H+](C)C[C@H](O)C2CC2)no1 ZINC000079769468 490463753 /nfs/dbraw/zinc/46/37/53/490463753.db2.gz RGBQESWAILFOPH-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)C[C@H](O)C2CC2)no1 ZINC000079769468 490463762 /nfs/dbraw/zinc/46/37/62/490463762.db2.gz RGBQESWAILFOPH-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)NC1CC=CC1 ZINC000121902045 490480950 /nfs/dbraw/zinc/48/09/50/490480950.db2.gz OZBBCXLJLWUUHL-UHFFFAOYSA-N 1 2 248.330 1.633 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H](O)C1CC1 ZINC000305740196 490489169 /nfs/dbraw/zinc/48/91/69/490489169.db2.gz RIHCXOYSOWACQD-GFCCVEGCSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cn1 ZINC000661166997 490496711 /nfs/dbraw/zinc/49/67/11/490496711.db2.gz DRMWXLLOOMEREX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cn1 ZINC000661166997 490496717 /nfs/dbraw/zinc/49/67/17/490496717.db2.gz DRMWXLLOOMEREX-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCc2ccccc21 ZINC000074727064 490500458 /nfs/dbraw/zinc/50/04/58/490500458.db2.gz VRMVMWZBLQRCCF-UHFFFAOYSA-N 1 2 241.294 1.932 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCc2ccccc21 ZINC000074727064 490500466 /nfs/dbraw/zinc/50/04/66/490500466.db2.gz VRMVMWZBLQRCCF-UHFFFAOYSA-N 1 2 241.294 1.932 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cccnc1 ZINC000074726877 490500574 /nfs/dbraw/zinc/50/05/74/490500574.db2.gz PSFQZBUFEJDZIJ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cccnc1 ZINC000074726877 490500586 /nfs/dbraw/zinc/50/05/86/490500586.db2.gz PSFQZBUFEJDZIJ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Oc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000131445267 490534462 /nfs/dbraw/zinc/53/44/62/490534462.db2.gz ZXSJWDNLUMKXMP-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CCOC[C@@H]1C ZINC000300838020 490570927 /nfs/dbraw/zinc/57/09/27/490570927.db2.gz IZAMHDRNOBBDIW-UWVGGRQHSA-N 1 2 222.288 1.927 20 0 BDADLO COc1ccc(NCc2ccc(C)cn2)[nH+]c1 ZINC000400999717 490573346 /nfs/dbraw/zinc/57/33/46/490573346.db2.gz UQBNOZSUQADLLX-UHFFFAOYSA-N 1 2 229.283 1.828 20 0 BDADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128370855 490578154 /nfs/dbraw/zinc/57/81/54/490578154.db2.gz SOZLLAVUVYGSKB-SCZZXKLOSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128370855 490578156 /nfs/dbraw/zinc/57/81/56/490578156.db2.gz SOZLLAVUVYGSKB-SCZZXKLOSA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(C)C[N@H+](CCO)Cc1csnn1 ZINC000128382217 490578659 /nfs/dbraw/zinc/57/86/59/490578659.db2.gz ROGROFVMVCNHOL-UHFFFAOYSA-N 1 2 229.349 1.379 20 0 BDADLO CC(C)(C)C[N@@H+](CCO)Cc1csnn1 ZINC000128382217 490578665 /nfs/dbraw/zinc/57/86/65/490578665.db2.gz ROGROFVMVCNHOL-UHFFFAOYSA-N 1 2 229.349 1.379 20 0 BDADLO Cc1cc(N(C)C[C@H](O)C2CC2)nc(C2CC2)[nH+]1 ZINC000080233676 490627259 /nfs/dbraw/zinc/62/72/59/490627259.db2.gz ULWNMMHNHIPNMA-LBPRGKRZSA-N 1 2 247.342 1.870 20 0 BDADLO FC1(F)CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000306274785 490631981 /nfs/dbraw/zinc/63/19/81/490631981.db2.gz BDGFIBHTHVJVCN-SSDOTTSWSA-N 1 2 201.220 1.687 20 0 BDADLO c1ccc2c(C[NH2+][C@H]3CCOC3)n[nH]c2c1 ZINC000309701979 491058714 /nfs/dbraw/zinc/05/87/14/491058714.db2.gz TYZZSHFTGVWFQE-VIFPVBQESA-N 1 2 217.272 1.441 20 0 BDADLO CCc1cc(NCC(C)(C)C(=O)NC)nc[nH+]1 ZINC000227594781 491064045 /nfs/dbraw/zinc/06/40/45/491064045.db2.gz UBIAAQQVFPWFCX-UHFFFAOYSA-N 1 2 236.319 1.223 20 0 BDADLO Cc1nc(NCCN(C)CC(F)F)cc[nH+]1 ZINC000624763185 491108628 /nfs/dbraw/zinc/10/86/28/491108628.db2.gz NNMDNUFXMVEBEQ-UHFFFAOYSA-N 1 2 230.262 1.394 20 0 BDADLO c1cc(C[N@@H+]2CCOC3(CCC3)C2)sn1 ZINC000638116113 491112396 /nfs/dbraw/zinc/11/23/96/491112396.db2.gz WGCZHHRNNJAVSV-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO c1cc(C[N@H+]2CCOC3(CCC3)C2)sn1 ZINC000638116113 491112397 /nfs/dbraw/zinc/11/23/97/491112397.db2.gz WGCZHHRNNJAVSV-UHFFFAOYSA-N 1 2 224.329 1.898 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1CC(F)(F)C1 ZINC000293659693 491114371 /nfs/dbraw/zinc/11/43/71/491114371.db2.gz MOMZOWDUPPTOJW-UHFFFAOYSA-N 1 2 243.257 1.422 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCc1cccs1 ZINC000075024538 491124539 /nfs/dbraw/zinc/12/45/39/491124539.db2.gz KAWCUQCOJVAXBB-UHFFFAOYSA-N 1 2 236.344 1.551 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCc1cccs1 ZINC000075024538 491124540 /nfs/dbraw/zinc/12/45/40/491124540.db2.gz KAWCUQCOJVAXBB-UHFFFAOYSA-N 1 2 236.344 1.551 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H]([C@H](C)O)C1 ZINC000584241993 491124734 /nfs/dbraw/zinc/12/47/34/491124734.db2.gz CQBCGVWLMHFYRO-GXSJLCMTSA-N 1 2 221.304 1.301 20 0 BDADLO COCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000569353099 491126934 /nfs/dbraw/zinc/12/69/34/491126934.db2.gz LPVRGCIRJSMZQC-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO COCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000569353099 491126935 /nfs/dbraw/zinc/12/69/35/491126935.db2.gz LPVRGCIRJSMZQC-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1c(C)noc1C ZINC000091812901 491131628 /nfs/dbraw/zinc/13/16/28/491131628.db2.gz HMNMUMOUVMPUDV-UHFFFAOYSA-N 1 2 234.303 1.955 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1c(C)noc1C ZINC000091812901 491131629 /nfs/dbraw/zinc/13/16/29/491131629.db2.gz HMNMUMOUVMPUDV-UHFFFAOYSA-N 1 2 234.303 1.955 20 0 BDADLO COc1ccc(N[C@@H](C)[C@@H](C)OC)[nH+]c1 ZINC000308941942 491140800 /nfs/dbraw/zinc/14/08/00/491140800.db2.gz MNRKGCZIVQDGDR-DTWKUNHWSA-N 1 2 210.277 1.926 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOCC(F)F)o1 ZINC000309405637 491148715 /nfs/dbraw/zinc/14/87/15/491148715.db2.gz HXLZZACNGFTOQU-ZCFIWIBFSA-N 1 2 235.234 1.310 20 0 BDADLO Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493017074 533966346 /nfs/dbraw/zinc/96/63/46/533966346.db2.gz IBKWZMQRDOGODH-PLNGDYQASA-N 1 2 242.282 1.443 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cccnc1)C1CCC1 ZINC000261022105 535672297 /nfs/dbraw/zinc/67/22/97/535672297.db2.gz AHGPAEJYKFGWMP-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)O1 ZINC000493729446 534158471 /nfs/dbraw/zinc/15/84/71/534158471.db2.gz UMESKZDAJSTDKM-CFUOYWMPSA-N 1 2 235.287 1.107 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000475622987 534230441 /nfs/dbraw/zinc/23/04/41/534230441.db2.gz WSKMLBKDVZHCHF-RAIGVLPGSA-N 1 2 233.311 1.941 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348220872 536104196 /nfs/dbraw/zinc/10/41/96/536104196.db2.gz CUIIFKIEBOKMTE-YUSALJHKSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348220872 536104200 /nfs/dbraw/zinc/10/42/00/536104200.db2.gz CUIIFKIEBOKMTE-YUSALJHKSA-N 1 2 241.331 1.437 20 0 BDADLO C[C@@]1(F)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492761444 534271582 /nfs/dbraw/zinc/27/15/82/534271582.db2.gz GBLVPLQRWZABKP-OTDNITJGSA-N 1 2 223.251 1.383 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C(F)F ZINC000471747485 534272018 /nfs/dbraw/zinc/27/20/18/534272018.db2.gz ORELWWQIECCCPP-QMMMGPOBSA-N 1 2 245.273 1.679 20 0 BDADLO CCc1cc(N(C)C[C@@H](C)O)nc(CC)[nH+]1 ZINC000892003510 582758702 /nfs/dbraw/zinc/75/87/02/582758702.db2.gz BWHDSLGUYXJZGK-SECBINFHSA-N 1 2 223.320 1.418 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(C)C ZINC000227018979 518013880 /nfs/dbraw/zinc/01/38/80/518013880.db2.gz QELTYNLTAFPXSX-OUAUKWLOSA-N 1 2 229.320 1.341 20 0 BDADLO COc1cc(CNc2cc[nH+]c(C)n2)ccn1 ZINC000062054988 518133474 /nfs/dbraw/zinc/13/34/74/518133474.db2.gz WGCPGOSTIBNQKR-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cc1nc(N2CC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488401299 534436470 /nfs/dbraw/zinc/43/64/70/534436470.db2.gz XHEGRMCIYFUSOL-MRVPVSSYSA-N 1 2 221.308 1.092 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H](C)C2)[nH+]1 ZINC000488401299 534436474 /nfs/dbraw/zinc/43/64/74/534436474.db2.gz XHEGRMCIYFUSOL-MRVPVSSYSA-N 1 2 221.308 1.092 20 0 BDADLO O=C(OCC(F)(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000495124127 534552336 /nfs/dbraw/zinc/55/23/36/534552336.db2.gz SAHZGMSCWONVGD-UHFFFAOYSA-N 1 2 249.192 1.439 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](CO)CC1 ZINC000493079918 534801721 /nfs/dbraw/zinc/80/17/21/534801721.db2.gz DNDNFKUQZJACKV-DLRQAJBASA-N 1 2 249.314 1.044 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1nccs1 ZINC000492862451 534802752 /nfs/dbraw/zinc/80/27/52/534802752.db2.gz LBXURGXGXPKVKT-UPHRSURJSA-N 1 2 234.284 1.196 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccnc1 ZINC000493222144 534804968 /nfs/dbraw/zinc/80/49/68/534804968.db2.gz JZLLUPOFGDOFOC-ARJAWSKDSA-N 1 2 214.228 1.457 20 0 BDADLO CC(C)c1nc(N2CCO[C@H](C)C2)cc[nH+]1 ZINC000171675553 534909678 /nfs/dbraw/zinc/90/96/78/534909678.db2.gz NRGMVNWFWISNNU-SNVBAGLBSA-N 1 2 221.304 1.825 20 0 BDADLO C=C=CCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493482196 526914995 /nfs/dbraw/zinc/91/49/95/526914995.db2.gz ISKIOFGZUSVQKS-VOTSOKGWSA-N 1 2 217.272 1.374 20 0 BDADLO C/C=C(/C=C/C(=O)NCCc1cn(C)c[nH+]1)CC ZINC000492981146 527551648 /nfs/dbraw/zinc/55/16/48/527551648.db2.gz FZVHLOZIUXYZRI-GJQNCLFESA-N 1 2 247.342 1.991 20 0 BDADLO CC=CC=CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493833993 527612001 /nfs/dbraw/zinc/61/20/01/527612001.db2.gz FGPGOZHESGBJKQ-WZKPRXTQSA-N 1 2 231.299 1.516 20 0 BDADLO CC=CC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493833993 527612004 /nfs/dbraw/zinc/61/20/04/527612004.db2.gz FGPGOZHESGBJKQ-WZKPRXTQSA-N 1 2 231.299 1.516 20 0 BDADLO CC(C)(C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493087864 527664632 /nfs/dbraw/zinc/66/46/32/527664632.db2.gz SZDGVETYSLRCMS-SNAWJCMRSA-N 1 2 221.304 1.975 20 0 BDADLO CC(C)(C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492893527 527664794 /nfs/dbraw/zinc/66/47/94/527664794.db2.gz GCAMFTTVYQJUHO-SNAWJCMRSA-N 1 2 221.304 1.975 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C/C=C\c1ccncc1 ZINC000494968115 527725995 /nfs/dbraw/zinc/72/59/95/527725995.db2.gz BYPILVFNGGWNCW-FOQNGQEVSA-N 1 2 248.326 1.978 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C/C=C\c1ccncc1 ZINC000494968115 527726002 /nfs/dbraw/zinc/72/60/02/527726002.db2.gz BYPILVFNGGWNCW-FOQNGQEVSA-N 1 2 248.326 1.978 20 0 BDADLO CCCN(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492450164 527799000 /nfs/dbraw/zinc/79/90/00/527799000.db2.gz QIQWVNCKXULYDN-SREVYHEPSA-N 1 2 221.304 1.785 20 0 BDADLO CCC1CN(C(=O)/C=C/c2[nH+]ccn2CC)C1 ZINC000493688940 527871312 /nfs/dbraw/zinc/87/13/12/527871312.db2.gz KGGKAVXWVXJRQZ-AATRIKPKSA-N 1 2 233.315 1.785 20 0 BDADLO CC(C)c1c[nH]nc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493062308 528006684 /nfs/dbraw/zinc/00/66/84/528006684.db2.gz KCQKJOYRJDOYSS-ONEGZZNKSA-N 1 2 245.286 1.908 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904874 528388273 /nfs/dbraw/zinc/38/82/73/528388273.db2.gz YAEXDWKZMIPXFA-LWTINBJPSA-N 1 2 221.304 1.831 20 0 BDADLO CCO/C=C/C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000493109613 528458439 /nfs/dbraw/zinc/45/84/39/528458439.db2.gz WVGIWDVWZAIVCD-BJMVGYQFSA-N 1 2 249.314 1.666 20 0 BDADLO CC(C)n1cc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492855733 528571922 /nfs/dbraw/zinc/57/19/22/528571922.db2.gz GXQZVHAGJSAMAE-ARJAWSKDSA-N 1 2 245.286 1.839 20 0 BDADLO CCCONC(=O)/C=C\c1[nH+]ccn1CC ZINC000493450147 528600726 /nfs/dbraw/zinc/60/07/26/528600726.db2.gz JCAFKFRZTDJMRJ-WAYWQWQTSA-N 1 2 223.276 1.374 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)C1COC1 ZINC000493858655 528766577 /nfs/dbraw/zinc/76/65/77/528766577.db2.gz SUOJXYYWZJPEPX-ARJAWSKDSA-N 1 2 235.287 1.059 20 0 BDADLO CC1(C)C(NC(=O)C=Cc2c[nH]c[nH+]2)C1(C)C ZINC000492894590 528875600 /nfs/dbraw/zinc/87/56/00/528875600.db2.gz HHHXDXJKGDKSAC-WAYWQWQTSA-N 1 2 233.315 1.974 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000492768270 528907804 /nfs/dbraw/zinc/90/78/04/528907804.db2.gz OUIQZDQMNUUVOZ-VOTSOKGWSA-N 1 2 219.288 1.824 20 0 BDADLO CCN(C(=O)/C=C/c1[nH+]ccn1CC)C1CC1 ZINC000493687979 528907831 /nfs/dbraw/zinc/90/78/31/528907831.db2.gz PLRJMCLCPZQLCM-BQYQJAHWSA-N 1 2 233.315 1.927 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493626312 528911134 /nfs/dbraw/zinc/91/11/34/528911134.db2.gz VKSQVCWFKKUGFS-UTCJRWHESA-N 1 2 205.261 1.434 20 0 BDADLO CCC1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000487320730 528995454 /nfs/dbraw/zinc/99/54/54/528995454.db2.gz KJFHQOBJAOZNKM-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000487320730 528995460 /nfs/dbraw/zinc/99/54/60/528995460.db2.gz KJFHQOBJAOZNKM-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccnn1CC ZINC000505608098 529311340 /nfs/dbraw/zinc/31/13/40/529311340.db2.gz HDCGGLPYFAKHDJ-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccnn1CC ZINC000505608098 529311343 /nfs/dbraw/zinc/31/13/43/529311343.db2.gz HDCGGLPYFAKHDJ-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000175033466 534985460 /nfs/dbraw/zinc/98/54/60/534985460.db2.gz UQFYGNBPXCOXKT-NSHDSACASA-N 1 2 238.331 1.967 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000175033466 534985466 /nfs/dbraw/zinc/98/54/66/534985466.db2.gz UQFYGNBPXCOXKT-NSHDSACASA-N 1 2 238.331 1.967 20 0 BDADLO CC(C)CN1CCN(c2cccc[nH+]2)CC1=O ZINC000275044696 535105929 /nfs/dbraw/zinc/10/59/29/535105929.db2.gz RFLUFUSEQJCBQO-UHFFFAOYSA-N 1 2 233.315 1.386 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC[C@@H](C)O ZINC000219860887 535159994 /nfs/dbraw/zinc/15/99/94/535159994.db2.gz UKKLWYXRFXFWBN-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC[C@@H](C)O ZINC000219860887 535160003 /nfs/dbraw/zinc/16/00/03/535160003.db2.gz UKKLWYXRFXFWBN-SNVBAGLBSA-N 1 2 226.324 1.062 20 0 BDADLO CCC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263025973 535325474 /nfs/dbraw/zinc/32/54/74/535325474.db2.gz RKQRDYQEMWQXON-JTQLQIEISA-N 1 2 246.301 1.632 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)[C@H]1[C@@H]1CCCO1 ZINC000351983625 535357297 /nfs/dbraw/zinc/35/72/97/535357297.db2.gz USVWPWMIDQETAR-AAEUAGOBSA-N 1 2 247.342 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)[C@H]1[C@@H]1CCCO1 ZINC000351983625 535357298 /nfs/dbraw/zinc/35/72/98/535357298.db2.gz USVWPWMIDQETAR-AAEUAGOBSA-N 1 2 247.342 1.866 20 0 BDADLO CC(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000049429069 535375505 /nfs/dbraw/zinc/37/55/05/535375505.db2.gz ANGXREJZWKZHQE-UHFFFAOYSA-N 1 2 244.298 1.540 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cccnc1)C1CCC1 ZINC000261022105 535672292 /nfs/dbraw/zinc/67/22/92/535672292.db2.gz AHGPAEJYKFGWMP-UHFFFAOYSA-N 1 2 248.326 1.999 20 0 BDADLO CC[C@@H]1COCCN1c1cc(C)[nH+]cn1 ZINC000301320660 535836171 /nfs/dbraw/zinc/83/61/71/535836171.db2.gz SERITRUXRRGWNR-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO CC[C@@H]1C[N@H+](CCNC(=O)C2CCC2)CCO1 ZINC000347660585 535853689 /nfs/dbraw/zinc/85/36/89/535853689.db2.gz ZRGJRWOAGWBDBC-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H]1C[N@@H+](CCNC(=O)C2CCC2)CCO1 ZINC000347660585 535853692 /nfs/dbraw/zinc/85/36/92/535853692.db2.gz ZRGJRWOAGWBDBC-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@](C)(OC)c1noc(C[NH+](C)C)n1 ZINC000350440370 535866467 /nfs/dbraw/zinc/86/64/67/535866467.db2.gz RXCGAUAXUMGDGM-JTQLQIEISA-N 1 2 213.281 1.403 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263315551 536082751 /nfs/dbraw/zinc/08/27/51/536082751.db2.gz ZKSADXWGAUNSMQ-IUCAKERBSA-N 1 2 232.274 1.242 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccc(F)cn1 ZINC000336024284 536086225 /nfs/dbraw/zinc/08/62/25/536086225.db2.gz VDEZSTOVKYSBAQ-UHFFFAOYSA-N 1 2 245.257 1.852 20 0 BDADLO CN(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301108880 536093033 /nfs/dbraw/zinc/09/30/33/536093033.db2.gz KBYOYIJIPUAUPP-NSHDSACASA-N 1 2 233.315 1.386 20 0 BDADLO COC[C@@H]([NH3+])c1nc(Cc2ccccc2C)no1 ZINC000159337836 536675887 /nfs/dbraw/zinc/67/58/87/536675887.db2.gz LYMCUJQCAROOFO-LLVKDONJSA-N 1 2 247.298 1.615 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000345652711 536783257 /nfs/dbraw/zinc/78/32/57/536783257.db2.gz ZYQBXTIKOSFMLY-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO COCCc1nc(C[NH+]2C[C@@H](C)[C@H](C)C2)no1 ZINC000351512525 536835884 /nfs/dbraw/zinc/83/58/84/536835884.db2.gz GFNUTRQKKRELBI-NXEZZACHSA-N 1 2 239.319 1.346 20 0 BDADLO COC(C)(C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000080701782 536887396 /nfs/dbraw/zinc/88/73/96/536887396.db2.gz RTULELPWJDAPOY-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892641978 582936420 /nfs/dbraw/zinc/93/64/20/582936420.db2.gz HWERWKSFCFJHPV-ZJUUUORDSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@@H]1C[C@H](C)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892641978 582936423 /nfs/dbraw/zinc/93/64/23/582936423.db2.gz HWERWKSFCFJHPV-ZJUUUORDSA-N 1 2 220.320 1.777 20 0 BDADLO CO[C@@H]1CCC[C@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001172931672 974983233 /nfs/dbraw/zinc/98/32/33/974983233.db2.gz PHLZYPKJBJTFLF-WDEREUQCSA-N 1 2 248.317 1.485 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC2(CCC2)C1 ZINC000336387928 566410433 /nfs/dbraw/zinc/41/04/33/566410433.db2.gz UJMSNMSWPAUVCE-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC2(CCC2)C1 ZINC000336387928 566410445 /nfs/dbraw/zinc/41/04/45/566410445.db2.gz UJMSNMSWPAUVCE-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO C[C@@H](O)c1cccc(NCc2ccon2)[nH+]1 ZINC000892784399 582981994 /nfs/dbraw/zinc/98/19/94/582981994.db2.gz IYVXQAUZWPPXBX-MRVPVSSYSA-N 1 2 219.244 1.735 20 0 BDADLO Cn1nncc1C[NH2+]Cc1nc(Cl)cs1 ZINC000877534773 583324345 /nfs/dbraw/zinc/32/43/45/583324345.db2.gz NJELTOMHTYQYBD-UHFFFAOYSA-N 1 2 243.723 1.215 20 0 BDADLO C[C@@H](NC(=S)NC1CCC1)c1[nH+]ccn1C ZINC000853045571 588717470 /nfs/dbraw/zinc/71/74/70/588717470.db2.gz VYIKMSNVIPBOOK-MRVPVSSYSA-N 1 2 238.360 1.498 20 0 BDADLO C[C@H](NC(=S)NC(C)(C)C)c1[nH+]ccn1C ZINC000853045048 588717481 /nfs/dbraw/zinc/71/74/81/588717481.db2.gz QRLHDILJFPAODJ-QMMMGPOBSA-N 1 2 240.376 1.744 20 0 BDADLO C[C@@H](NC(=S)NC1CC1)c1[nH+]ccn1C ZINC000853044186 588717635 /nfs/dbraw/zinc/71/76/35/588717635.db2.gz FGVCJSKACASWAM-SSDOTTSWSA-N 1 2 224.333 1.108 20 0 BDADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)c1ccccn1 ZINC000853105914 588720786 /nfs/dbraw/zinc/72/07/86/588720786.db2.gz NOTSLZYHMOXVRG-MNOVXSKESA-N 1 2 242.269 1.892 20 0 BDADLO CN(C)c1[nH+]cccc1CNc1cnc(F)cn1 ZINC000853161355 588723111 /nfs/dbraw/zinc/72/31/11/588723111.db2.gz PYPATKCLBJKMRO-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO Cc1ccc(CCNc2cnc(F)cn2)c[nH+]1 ZINC000853313289 588732096 /nfs/dbraw/zinc/73/20/96/588732096.db2.gz FKSPIHLLTKYHDY-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Fc1cnc(NCCCCn2cc[nH+]c2)cn1 ZINC000853468554 588744872 /nfs/dbraw/zinc/74/48/72/588744872.db2.gz YUFBTTGEYKKSNV-UHFFFAOYSA-N 1 2 235.266 1.705 20 0 BDADLO Cc1nn(C[N@@H+]2CC(C)=C[C@@H](C)C2)c(=O)o1 ZINC000853510552 588747007 /nfs/dbraw/zinc/74/70/07/588747007.db2.gz KTSVWEIUSLPYHB-MRVPVSSYSA-N 1 2 223.276 1.000 20 0 BDADLO Cc1nn(C[N@H+]2CC(C)=C[C@@H](C)C2)c(=O)o1 ZINC000853510552 588747008 /nfs/dbraw/zinc/74/70/08/588747008.db2.gz KTSVWEIUSLPYHB-MRVPVSSYSA-N 1 2 223.276 1.000 20 0 BDADLO C[C@@]12COC[C@H]1C[N@H+](Cn1cc(Cl)cn1)C2 ZINC000853568063 588749065 /nfs/dbraw/zinc/74/90/65/588749065.db2.gz YPYUSWWTIUXUKF-MWLCHTKSSA-N 1 2 241.722 1.462 20 0 BDADLO C[C@@]12COC[C@H]1C[N@@H+](Cn1cc(Cl)cn1)C2 ZINC000853568063 588749066 /nfs/dbraw/zinc/74/90/66/588749066.db2.gz YPYUSWWTIUXUKF-MWLCHTKSSA-N 1 2 241.722 1.462 20 0 BDADLO COC[C@H](CO[NH+]=C(N)c1ccccc1)OC ZINC000853636763 588751262 /nfs/dbraw/zinc/75/12/62/588751262.db2.gz IVSLAOUHENPWJZ-LLVKDONJSA-N 1 2 238.287 1.195 20 0 BDADLO COC[C@@H](CO[NH+]=C(N)c1ccccc1)OC ZINC000853636764 588751347 /nfs/dbraw/zinc/75/13/47/588751347.db2.gz IVSLAOUHENPWJZ-NSHDSACASA-N 1 2 238.287 1.195 20 0 BDADLO CC(C)OCC(N)=[NH+]O[C@H]1COC(C)(C)C1 ZINC000853658308 588753055 /nfs/dbraw/zinc/75/30/55/588753055.db2.gz KMQVDOPCPNGCOH-SECBINFHSA-N 1 2 230.308 1.477 20 0 BDADLO CC1=NO[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000853661700 588753642 /nfs/dbraw/zinc/75/36/42/588753642.db2.gz ZLWGUBMLBPBRIQ-SNVBAGLBSA-N 1 2 232.287 1.931 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC1CC=CC1 ZINC000853670168 588754355 /nfs/dbraw/zinc/75/43/55/588754355.db2.gz YPYFLJWVTPJRKU-UHFFFAOYSA-N 1 2 239.319 1.366 20 0 BDADLO Cc1cc(NC[C@@H]2COCO2)nc(C2CC2)[nH+]1 ZINC000853687613 588756334 /nfs/dbraw/zinc/75/63/34/588756334.db2.gz XMRKEZRXPQBCAP-SNVBAGLBSA-N 1 2 235.287 1.447 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2COCO2)[nH+]1 ZINC000853687749 588756525 /nfs/dbraw/zinc/75/65/25/588756525.db2.gz ZSJQHTKUDAKPMH-QMMMGPOBSA-N 1 2 234.259 1.051 20 0 BDADLO Cc1nc(C)c(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000853697479 588757440 /nfs/dbraw/zinc/75/74/40/588757440.db2.gz INYGHWGFTALXLQ-VIFPVBQESA-N 1 2 239.275 1.469 20 0 BDADLO Cc1nc(C)c(COCc2[nH]cc[nH+]2)o1 ZINC000853700417 588757810 /nfs/dbraw/zinc/75/78/10/588757810.db2.gz JMMMEWDWRBSYNE-UHFFFAOYSA-N 1 2 207.233 1.731 20 0 BDADLO CC(C)(C)CC(=O)NOCc1ccc[nH+]c1N ZINC000853706113 588758237 /nfs/dbraw/zinc/75/82/37/588758237.db2.gz GKHDDSUBXNNTFQ-UHFFFAOYSA-N 1 2 237.303 1.648 20 0 BDADLO CCc1cc(NCc2ocnc2C)nc[nH+]1 ZINC000853640380 588751712 /nfs/dbraw/zinc/75/17/12/588751712.db2.gz DGYDTMLMZPWSKG-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO COc1ccc(N[C@H]2C[C@H](C)n3ncnc32)[nH+]c1 ZINC000853771197 588762605 /nfs/dbraw/zinc/76/26/05/588762605.db2.gz WDJWYHNZUXIYNF-WPRPVWTQSA-N 1 2 245.286 1.800 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N1CCCC1 ZINC000853812804 588764631 /nfs/dbraw/zinc/76/46/31/588764631.db2.gz VKKXEMJAILEHKC-UHFFFAOYSA-N 1 2 208.265 1.057 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N1CCCC1 ZINC000853812804 588764632 /nfs/dbraw/zinc/76/46/32/588764632.db2.gz VKKXEMJAILEHKC-UHFFFAOYSA-N 1 2 208.265 1.057 20 0 BDADLO COC(=O)[C@H]1C[C@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000853981358 588770767 /nfs/dbraw/zinc/77/07/67/588770767.db2.gz HRAHPRUCTUTMIS-MGCOHNPYSA-N 1 2 249.314 1.964 20 0 BDADLO CO[C@@H](C)Cc1nc(Cc2c[nH+]ccc2C)no1 ZINC000854098871 588774573 /nfs/dbraw/zinc/77/45/73/588774573.db2.gz WSUCTUKVTVKWGE-JTQLQIEISA-N 1 2 247.298 1.941 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854097094 588774765 /nfs/dbraw/zinc/77/47/65/588774765.db2.gz ZQPIITVWPXDWFX-NOZJJQNGSA-N 1 2 248.330 1.816 20 0 BDADLO CCCC[C@](C)(F)C(=O)N1CC[NH+](C)CC1 ZINC000854117971 588775064 /nfs/dbraw/zinc/77/50/64/588775064.db2.gz RNIUJVICBZFPFL-LBPRGKRZSA-N 1 2 230.327 1.679 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)n2ccc(C)n2)n1 ZINC000854132017 588775708 /nfs/dbraw/zinc/77/57/08/588775708.db2.gz HWHXONHSCSWBOO-SNVBAGLBSA-N 1 2 249.318 1.488 20 0 BDADLO CC[NH2+]Cc1noc(Cc2occc2C)n1 ZINC000854132028 588775896 /nfs/dbraw/zinc/77/58/96/588775896.db2.gz IITVLUMNVLBAID-UHFFFAOYSA-N 1 2 221.260 1.671 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000854394093 588785736 /nfs/dbraw/zinc/78/57/36/588785736.db2.gz MNMXJEBEDALARJ-MNOVXSKESA-N 1 2 249.314 1.122 20 0 BDADLO CC(C)SCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854452584 588787365 /nfs/dbraw/zinc/78/73/65/588787365.db2.gz ZGNDOMLZZWPFPZ-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC1(C)C ZINC000854456173 588787539 /nfs/dbraw/zinc/78/75/39/588787539.db2.gz MBMZCZUTJOAEDO-FOGDFJRCSA-N 1 2 247.342 1.828 20 0 BDADLO COCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345126 588794689 /nfs/dbraw/zinc/79/46/89/588794689.db2.gz XIJRVNYTNUYKME-SNVBAGLBSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)c1ccccn1)c1[nH]cc[nH+]1 ZINC000854594885 588796261 /nfs/dbraw/zinc/79/62/61/588796261.db2.gz QYTBZOJLDMMDCU-NXEZZACHSA-N 1 2 244.298 1.786 20 0 BDADLO C[C@@H](NC(=O)C(=O)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000854594936 588796314 /nfs/dbraw/zinc/79/63/14/588796314.db2.gz SCFHMUHVQCJGKX-SSDOTTSWSA-N 1 2 223.276 1.202 20 0 BDADLO Cc1[nH]c(C=O)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595200 588796371 /nfs/dbraw/zinc/79/63/71/588796371.db2.gz VZXBRFRHMPOQAR-MRVPVSSYSA-N 1 2 246.270 1.350 20 0 BDADLO C[C@@H](NC(=O)/C=C/C1CCOCC1)c1[nH]cc[nH+]1 ZINC000854594879 588796382 /nfs/dbraw/zinc/79/63/82/588796382.db2.gz QUXDLEYUQGXBNY-VMZHVLLKSA-N 1 2 249.314 1.570 20 0 BDADLO C[C@@H](NC(=O)C=CC1CCOCC1)c1[nH]cc[nH+]1 ZINC000854594879 588796383 /nfs/dbraw/zinc/79/63/83/588796383.db2.gz QUXDLEYUQGXBNY-VMZHVLLKSA-N 1 2 249.314 1.570 20 0 BDADLO O=C(CC[C@@H]1CCCCO1)NC1=[NH+]CCS1 ZINC000112589240 588804500 /nfs/dbraw/zinc/80/45/00/588804500.db2.gz VSYCOKQCUJVXKG-VIFPVBQESA-N 1 2 242.344 1.555 20 0 BDADLO CCC(F)(F)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854685237 588801252 /nfs/dbraw/zinc/80/12/52/588801252.db2.gz JRVSCJZOMBJRMJ-SSDOTTSWSA-N 1 2 229.230 1.489 20 0 BDADLO CCC[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC000112676441 588811876 /nfs/dbraw/zinc/81/18/76/588811876.db2.gz REWPCYZYFHZIBV-UHFFFAOYSA-N 1 2 224.226 1.103 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CC2(CCC2)C1 ZINC000855034296 588821508 /nfs/dbraw/zinc/82/15/08/588821508.db2.gz OLBBSMINMPWLCE-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CC=CC1 ZINC000855047122 588821706 /nfs/dbraw/zinc/82/17/06/588821706.db2.gz YWIWDMHLBIBIAM-UHFFFAOYSA-N 1 2 205.261 1.177 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000855134389 588822797 /nfs/dbraw/zinc/82/27/97/588822797.db2.gz MMIZMWMTQSHENZ-VIFPVBQESA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000855134389 588822798 /nfs/dbraw/zinc/82/27/98/588822798.db2.gz MMIZMWMTQSHENZ-VIFPVBQESA-N 1 2 221.304 1.804 20 0 BDADLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000113241022 588828089 /nfs/dbraw/zinc/82/80/89/588828089.db2.gz NVOUXHAHYDUOLT-NSHDSACASA-N 1 2 242.388 1.497 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCCC2=O)C[C@H](C)O1 ZINC000113245415 588828405 /nfs/dbraw/zinc/82/84/05/588828405.db2.gz ZWYRRTBFYDUYJP-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCCC2=O)C[C@H](C)O1 ZINC000113245415 588828406 /nfs/dbraw/zinc/82/84/06/588828406.db2.gz ZWYRRTBFYDUYJP-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO Cc1ccncc1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855394665 588831171 /nfs/dbraw/zinc/83/11/71/588831171.db2.gz RHZICDSWAXDUMJ-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CCc1cccnc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806168437 582523189 /nfs/dbraw/zinc/52/31/89/582523189.db2.gz MKTWJDGZRNUYLY-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO CCc1cc(N[C@@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000168295801 582534353 /nfs/dbraw/zinc/53/43/53/582534353.db2.gz HURQHWLGOWVBBK-ZJUUUORDSA-N 1 2 221.304 1.610 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C=CCC1 ZINC000855433954 588835918 /nfs/dbraw/zinc/83/59/18/588835918.db2.gz VGXKCAUFPYGUEF-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO CCOCC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000890854279 582581017 /nfs/dbraw/zinc/58/10/17/582581017.db2.gz ALFYLNANWJASGM-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1csc(Cl)n1 ZINC000844450598 582589405 /nfs/dbraw/zinc/58/94/05/582589405.db2.gz PLGNQJIKWNYITO-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1csc(Cl)n1 ZINC000844450598 582589408 /nfs/dbraw/zinc/58/94/08/582589408.db2.gz PLGNQJIKWNYITO-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO O=C(NC/C=C/Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000891202793 582628068 /nfs/dbraw/zinc/62/80/68/582628068.db2.gz VHFCBRMPEJMMIF-ARLXTTGXSA-N 1 2 239.706 1.314 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC/C=C\Cl ZINC000891203543 582629448 /nfs/dbraw/zinc/62/94/48/582629448.db2.gz XVQRMRMWAYCIAF-RJRFIUFISA-N 1 2 213.668 1.211 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000888976944 582640158 /nfs/dbraw/zinc/64/01/58/582640158.db2.gz IYDTZBDHBYVHIN-SKDRFNHKSA-N 1 2 234.299 1.429 20 0 BDADLO Cc1ccc(NC(=O)COC2CC2)c(C)[nH+]1 ZINC000889464075 582661234 /nfs/dbraw/zinc/66/12/34/582661234.db2.gz BJVJCZKOYUKFOL-UHFFFAOYSA-N 1 2 220.272 1.816 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H](C)CO2)c[nH+]1 ZINC000891369844 582672251 /nfs/dbraw/zinc/67/22/51/582672251.db2.gz GNDVWEHUJPOYFB-RNCFNFMXSA-N 1 2 248.326 1.740 20 0 BDADLO O=c1[nH]c2cccc(C[NH+]3CCOCC3)c2o1 ZINC000891392148 582676974 /nfs/dbraw/zinc/67/69/74/582676974.db2.gz ZWTPROQIVHJRQM-UHFFFAOYSA-N 1 2 234.255 1.366 20 0 BDADLO CCc1cc(N(C)CCO)nc(CC)[nH+]1 ZINC000891399056 582677638 /nfs/dbraw/zinc/67/76/38/582677638.db2.gz FZFGNVVEWIUURA-UHFFFAOYSA-N 1 2 209.293 1.030 20 0 BDADLO CCc1cc(-n2cc[nH+]c2)nc(CC)n1 ZINC000891547493 582696569 /nfs/dbraw/zinc/69/65/69/582696569.db2.gz AAHSLCQEURLLCP-UHFFFAOYSA-N 1 2 202.261 1.787 20 0 BDADLO C[C@@H]1C[C@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000891825890 582727730 /nfs/dbraw/zinc/72/77/30/582727730.db2.gz MOTQEHUZEFWSMZ-BDAKNGLRSA-N 1 2 206.293 1.611 20 0 BDADLO C[C@@H]1C[C@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000891825890 582727732 /nfs/dbraw/zinc/72/77/32/582727732.db2.gz MOTQEHUZEFWSMZ-BDAKNGLRSA-N 1 2 206.293 1.611 20 0 BDADLO c1nn(C2CCC2)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000892054130 582776665 /nfs/dbraw/zinc/77/66/65/582776665.db2.gz LIBLNDRUGDPQDS-OKILXGFUSA-N 1 2 247.342 1.971 20 0 BDADLO c1nn(C2CCC2)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000892054130 582776667 /nfs/dbraw/zinc/77/66/67/582776667.db2.gz LIBLNDRUGDPQDS-OKILXGFUSA-N 1 2 247.342 1.971 20 0 BDADLO CC(C)C[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892132027 582797321 /nfs/dbraw/zinc/79/73/21/582797321.db2.gz VNHLBKVKRNOEEW-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)C[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892132027 582797323 /nfs/dbraw/zinc/79/73/23/582797323.db2.gz VNHLBKVKRNOEEW-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO CC[C@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277740505 582824131 /nfs/dbraw/zinc/82/41/31/582824131.db2.gz JAFNGZIRUPFBKQ-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277740505 582824133 /nfs/dbraw/zinc/82/41/33/582824133.db2.gz JAFNGZIRUPFBKQ-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1C=CCC1 ZINC000849225723 582844026 /nfs/dbraw/zinc/84/40/26/582844026.db2.gz AGGHSBXMUSROFJ-NSHDSACASA-N 1 2 234.303 1.291 20 0 BDADLO CCc1cc(N2CC[C@H](O)C2)nc(CC)[nH+]1 ZINC000892326057 582846791 /nfs/dbraw/zinc/84/67/91/582846791.db2.gz XFPAGKJONXUJKQ-JTQLQIEISA-N 1 2 221.304 1.172 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000725779716 582848615 /nfs/dbraw/zinc/84/86/15/582848615.db2.gz UZSKSZIXXXSKDJ-LLVKDONJSA-N 1 2 247.342 1.421 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000725779716 582848617 /nfs/dbraw/zinc/84/86/17/582848617.db2.gz UZSKSZIXXXSKDJ-LLVKDONJSA-N 1 2 247.342 1.421 20 0 BDADLO CN(C)c1cc(NCCOCC2CC2)[nH+]cn1 ZINC000892418689 582882479 /nfs/dbraw/zinc/88/24/79/582882479.db2.gz SMWLHSYLLOGZNO-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NCCOCC2CC2)nc[nH+]1 ZINC000892418689 582882483 /nfs/dbraw/zinc/88/24/83/582882483.db2.gz SMWLHSYLLOGZNO-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CCC[C@@](C)(O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892501930 582899117 /nfs/dbraw/zinc/89/91/17/582899117.db2.gz IAKXTSDUCYGNPK-GFCCVEGCSA-N 1 2 238.335 1.506 20 0 BDADLO CCC[C@@](C)(O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892501930 582899114 /nfs/dbraw/zinc/89/91/14/582899114.db2.gz IAKXTSDUCYGNPK-GFCCVEGCSA-N 1 2 238.335 1.506 20 0 BDADLO CC1(C)CN(c2nccn3c[nH+]cc23)CCCO1 ZINC000892580062 582920634 /nfs/dbraw/zinc/92/06/34/582920634.db2.gz ZVNKTOVBWAKXMZ-UHFFFAOYSA-N 1 2 246.314 1.735 20 0 BDADLO CSC[C@@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000892605364 582927726 /nfs/dbraw/zinc/92/77/26/582927726.db2.gz QKXNQBIKODHANT-MRVPVSSYSA-N 1 2 226.349 1.706 20 0 BDADLO CSC[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000892605364 582927728 /nfs/dbraw/zinc/92/77/28/582927728.db2.gz QKXNQBIKODHANT-MRVPVSSYSA-N 1 2 226.349 1.706 20 0 BDADLO CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)COC1 ZINC000856276488 588866477 /nfs/dbraw/zinc/86/64/77/588866477.db2.gz BHGICPHLVYPDHJ-VIFPVBQESA-N 1 2 237.303 1.024 20 0 BDADLO C[C@H](NC(=O)C1=CCCCO1)c1[nH+]ccn1C ZINC000856278211 588866693 /nfs/dbraw/zinc/86/66/93/588866693.db2.gz ZJCOEASUBREDQN-VIFPVBQESA-N 1 2 235.287 1.292 20 0 BDADLO C[C@@H](NC(=O)c1ccnc(F)c1)c1[nH+]ccn1C ZINC000856276432 588866752 /nfs/dbraw/zinc/86/67/52/588866752.db2.gz AIWTZHICYHUIOY-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO CC(C)(C)C(F)(F)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000856280830 588866966 /nfs/dbraw/zinc/86/69/66/588866966.db2.gz XVNHZEICRDXZCV-UHFFFAOYSA-N 1 2 245.273 1.750 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279008 588867027 /nfs/dbraw/zinc/86/70/27/588867027.db2.gz AHKCWHNHQZGBAV-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2C=C[C@H](CO)C2)[nH+]1 ZINC000892785611 582981689 /nfs/dbraw/zinc/98/16/89/582981689.db2.gz HYOPWYGXIFDPDE-GARJFASQSA-N 1 2 234.299 1.484 20 0 BDADLO CC1=C(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCCO1 ZINC000856282178 588867307 /nfs/dbraw/zinc/86/73/07/588867307.db2.gz VNGSQNHCXUXCOU-VIFPVBQESA-N 1 2 249.314 1.682 20 0 BDADLO CCc1cc(NCc2cn[nH]n2)nc(CC)[nH+]1 ZINC000892787314 582983101 /nfs/dbraw/zinc/98/31/01/582983101.db2.gz LMBYLCNFLXQCDK-UHFFFAOYSA-N 1 2 232.291 1.332 20 0 BDADLO CCc1cc(NCc2c[nH]nn2)nc(CC)[nH+]1 ZINC000892787314 582983103 /nfs/dbraw/zinc/98/31/03/582983103.db2.gz LMBYLCNFLXQCDK-UHFFFAOYSA-N 1 2 232.291 1.332 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1nccn2c[nH+]cc12 ZINC000892799533 582985598 /nfs/dbraw/zinc/98/55/98/582985598.db2.gz FDTUNAILCYCHSV-VHSXEESVSA-N 1 2 216.288 1.964 20 0 BDADLO CCc1cc(N2CC[C@](C)(O)C2)nc(CC)[nH+]1 ZINC000892806636 582987187 /nfs/dbraw/zinc/98/71/87/582987187.db2.gz JMOOGEIEILEKCB-ZDUSSCGKSA-N 1 2 235.331 1.563 20 0 BDADLO CN(CC1=CCSC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000856366876 588870542 /nfs/dbraw/zinc/87/05/42/588870542.db2.gz MMUPUJZXTPODGX-UHFFFAOYSA-N 1 2 237.328 1.084 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)CCF)c1 ZINC000892907700 583007683 /nfs/dbraw/zinc/00/76/83/583007683.db2.gz OFBRYHYJJWMFIX-UHFFFAOYSA-N 1 2 227.235 1.801 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000856459119 588872791 /nfs/dbraw/zinc/87/27/91/588872791.db2.gz NULUHMFUODYSLO-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO CC12CC(C1)CN2C(=O)c1cccc2[nH+]ccn21 ZINC000856510643 588874174 /nfs/dbraw/zinc/87/41/74/588874174.db2.gz CHROZGXFEQDEGX-UHFFFAOYSA-N 1 2 241.294 1.959 20 0 BDADLO CCc1cc(N2CC(CO)C2)nc(CC)[nH+]1 ZINC000893141833 583056367 /nfs/dbraw/zinc/05/63/67/583056367.db2.gz JJARFSQNIWZXNW-UHFFFAOYSA-N 1 2 221.304 1.030 20 0 BDADLO C[C@@H](O)c1cccc(N(C)C2CC(O)C2)[nH+]1 ZINC000893169270 583062951 /nfs/dbraw/zinc/06/29/51/583062951.db2.gz YSAIBEQQUNDNSE-XNWIYYODSA-N 1 2 222.288 1.094 20 0 BDADLO CC1(CO)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893181743 583065341 /nfs/dbraw/zinc/06/53/41/583065341.db2.gz HXGUZDVKOKUPDQ-UHFFFAOYSA-N 1 2 246.314 1.328 20 0 BDADLO Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccn1 ZINC000856727923 588875471 /nfs/dbraw/zinc/87/54/71/588875471.db2.gz HFSCSZSJFSIRQK-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccn1 ZINC000856727923 588875472 /nfs/dbraw/zinc/87/54/72/588875472.db2.gz HFSCSZSJFSIRQK-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO CC(=O)OC[C@H](C)Nc1ccc[nH+]c1C ZINC000893198193 583069012 /nfs/dbraw/zinc/06/90/12/583069012.db2.gz LGEWLLPZSFJXAX-QMMMGPOBSA-N 1 2 208.261 1.754 20 0 BDADLO CCc1cnc(CNc2cc(N(C)C)nc[nH+]2)o1 ZINC000893228197 583074894 /nfs/dbraw/zinc/07/48/94/583074894.db2.gz ALJVNAGGZSWGLC-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO CCc1cnc(CNc2cc(N(C)C)[nH+]cn2)o1 ZINC000893228197 583074896 /nfs/dbraw/zinc/07/48/96/583074896.db2.gz ALJVNAGGZSWGLC-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccnn2C)c(Cl)n1 ZINC000856766161 588876482 /nfs/dbraw/zinc/87/64/82/588876482.db2.gz XFRAANSNWFGNLQ-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cn1cc(C[NH2+]Cc2nccs2)c(Cl)n1 ZINC000856766494 588876500 /nfs/dbraw/zinc/87/65/00/588876500.db2.gz APWOYNMWXVEQOK-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NOCC1CCC1 ZINC000856350212 588869707 /nfs/dbraw/zinc/86/97/07/588869707.db2.gz FVTXSMAXIKRXGI-UHFFFAOYSA-N 1 2 223.276 1.190 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NOCC1CCC1 ZINC000856350212 588869708 /nfs/dbraw/zinc/86/97/08/588869708.db2.gz FVTXSMAXIKRXGI-UHFFFAOYSA-N 1 2 223.276 1.190 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)c2ncn(C)n2)[nH+]1 ZINC000893367394 583126989 /nfs/dbraw/zinc/12/69/89/583126989.db2.gz LNRJWEDPFWHXBC-RKDXNWHRSA-N 1 2 247.302 1.437 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CC[C@H](O)C2)[nH+]cn1 ZINC000893435262 583142916 /nfs/dbraw/zinc/14/29/16/583142916.db2.gz QFVYMHUURRQLQI-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000893435262 583142918 /nfs/dbraw/zinc/14/29/18/583142918.db2.gz QFVYMHUURRQLQI-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CCOCC(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893515403 583155627 /nfs/dbraw/zinc/15/56/27/583155627.db2.gz GXFJSWCYTVPNMI-VIFPVBQESA-N 1 2 224.260 1.216 20 0 BDADLO Cc1cnnc(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000893513474 583155839 /nfs/dbraw/zinc/15/58/39/583155839.db2.gz SWNUBHMHYRTUJO-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)C12CC(C1)C2 ZINC000893533358 583158343 /nfs/dbraw/zinc/15/83/43/583158343.db2.gz IOSJFZSSOKQHJD-QUNCOHTASA-N 1 2 232.283 1.980 20 0 BDADLO CCC[C@@H](C(=O)OCC)[NH+]1CC(O)(C(C)C)C1 ZINC000216697987 583170628 /nfs/dbraw/zinc/17/06/28/583170628.db2.gz OYWTYPPZFXYBSF-NSHDSACASA-N 1 2 243.347 1.421 20 0 BDADLO CC1=CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000893660870 583189466 /nfs/dbraw/zinc/18/94/66/583189466.db2.gz GENJITNOFIBEKD-UHFFFAOYSA-N 1 2 218.304 1.699 20 0 BDADLO CC1=CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000893660870 583189469 /nfs/dbraw/zinc/18/94/69/583189469.db2.gz GENJITNOFIBEKD-UHFFFAOYSA-N 1 2 218.304 1.699 20 0 BDADLO Cn1cc(C[N@H+](C)C[C@H]2CCCO2)c(Cl)n1 ZINC000857038897 588883307 /nfs/dbraw/zinc/88/33/07/588883307.db2.gz HWRQFHMVLPZBPS-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(C[N@@H+](C)C[C@H]2CCCO2)c(Cl)n1 ZINC000857038897 588883308 /nfs/dbraw/zinc/88/33/08/588883308.db2.gz HWRQFHMVLPZBPS-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(C[NH+]2CC3(CC3)C2)c(Cl)n1 ZINC000857048818 588883970 /nfs/dbraw/zinc/88/39/70/588883970.db2.gz MFBDRLHSXIVVSZ-UHFFFAOYSA-N 1 2 211.696 1.669 20 0 BDADLO COCC1(C)C[NH+](Cc2cn(C)nc2Cl)C1 ZINC000857048002 588884315 /nfs/dbraw/zinc/88/43/15/588884315.db2.gz UHPSMTPAFKCCNZ-UHFFFAOYSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H](O)c1cccc(NCCC2(O)CCC2)[nH+]1 ZINC000893745042 583216957 /nfs/dbraw/zinc/21/69/57/583216957.db2.gz SXMSKACWNIWMHP-JTQLQIEISA-N 1 2 236.315 1.852 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cc(C)co1 ZINC000893864689 583234692 /nfs/dbraw/zinc/23/46/92/583234692.db2.gz YUOFXKCCHSBGDX-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cc(C)co1 ZINC000893864689 583234694 /nfs/dbraw/zinc/23/46/94/583234694.db2.gz YUOFXKCCHSBGDX-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nccn1C1CC1)C2 ZINC000893888026 583241221 /nfs/dbraw/zinc/24/12/21/583241221.db2.gz GTHLGQJIJVGQQX-MFKMUULPSA-N 1 2 233.315 1.032 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nccn1C1CC1)C2 ZINC000893888026 583241223 /nfs/dbraw/zinc/24/12/23/583241223.db2.gz GTHLGQJIJVGQQX-MFKMUULPSA-N 1 2 233.315 1.032 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000893888648 583244182 /nfs/dbraw/zinc/24/41/82/583244182.db2.gz LSGSQNSTDKQBST-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000893888648 583244185 /nfs/dbraw/zinc/24/41/85/583244185.db2.gz LSGSQNSTDKQBST-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893916913 583246836 /nfs/dbraw/zinc/24/68/36/583246836.db2.gz QXOIOSWLCTXLRO-OPRDCNLKSA-N 1 2 224.304 1.970 20 0 BDADLO COC(=O)CN(C)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893947717 583258595 /nfs/dbraw/zinc/25/85/95/583258595.db2.gz MCZIAJCVJWNJKQ-UHFFFAOYSA-N 1 2 225.292 1.138 20 0 BDADLO Cc1coc(C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000893978419 583265703 /nfs/dbraw/zinc/26/57/03/583265703.db2.gz RJOLUOLPUONDSN-UHFFFAOYSA-N 1 2 244.285 1.971 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000893976631 583266842 /nfs/dbraw/zinc/26/68/42/583266842.db2.gz VRWCDFLNRIPKAJ-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H](C)O1 ZINC000893976631 583266845 /nfs/dbraw/zinc/26/68/45/583266845.db2.gz VRWCDFLNRIPKAJ-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894000270 583271598 /nfs/dbraw/zinc/27/15/98/583271598.db2.gz YLNLQWDWHIFIKI-UHFFFAOYSA-N 1 2 238.335 1.101 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894000270 583271600 /nfs/dbraw/zinc/27/16/00/583271600.db2.gz YLNLQWDWHIFIKI-UHFFFAOYSA-N 1 2 238.335 1.101 20 0 BDADLO C[C@@H](CCO)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000894015308 583276305 /nfs/dbraw/zinc/27/63/05/583276305.db2.gz GYLSGLKXICJBIE-GHMZBOCLSA-N 1 2 238.331 1.955 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@@H](C)CCO)C(=O)OCC ZINC000894029536 583281481 /nfs/dbraw/zinc/28/14/81/583281481.db2.gz ZFYZBPUEQKPJKA-UARRTVENSA-N 1 2 229.320 1.245 20 0 BDADLO CCCSC[C@H](C)[NH2+][C@@H](C)C(=O)OC ZINC000894027896 583281598 /nfs/dbraw/zinc/28/15/98/583281598.db2.gz MJZGRKDNIRXZMR-IUCAKERBSA-N 1 2 219.350 1.669 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000894028830 583282089 /nfs/dbraw/zinc/28/20/89/583282089.db2.gz RUZSUSWXXFBJJW-JQWIXIFHSA-N 1 2 233.311 1.868 20 0 BDADLO CO[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1C ZINC000894063053 583292304 /nfs/dbraw/zinc/29/23/04/583292304.db2.gz JBCRZQYAQQQOCB-ZYHUDNBSSA-N 1 2 246.314 1.591 20 0 BDADLO CNc1cc(N2CC[C@H](OC)[C@H](C)C2)nc[nH+]1 ZINC000894062656 583292945 /nfs/dbraw/zinc/29/29/45/583292945.db2.gz FBJDOEHENQCLBD-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@H](OC)[C@H](C)C2)[nH+]cn1 ZINC000894062656 583292947 /nfs/dbraw/zinc/29/29/47/583292947.db2.gz FBJDOEHENQCLBD-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(C)co2)C1 ZINC000894084256 583295100 /nfs/dbraw/zinc/29/51/00/583295100.db2.gz IWXYRYSGLZSFAS-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(C)co2)C1 ZINC000894084256 583295102 /nfs/dbraw/zinc/29/51/02/583295102.db2.gz IWXYRYSGLZSFAS-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO CC[C@H](Nc1cc(N(C)C)nc[nH+]1)[C@H](C)O ZINC000894076832 583297367 /nfs/dbraw/zinc/29/73/67/583297367.db2.gz PNDFVGUOTDJVBB-IUCAKERBSA-N 1 2 224.308 1.114 20 0 BDADLO CC[C@H](Nc1cc(N(C)C)[nH+]cn1)[C@H](C)O ZINC000894076832 583297370 /nfs/dbraw/zinc/29/73/70/583297370.db2.gz PNDFVGUOTDJVBB-IUCAKERBSA-N 1 2 224.308 1.114 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)Cc1cc[nH]c(=O)c1 ZINC000894089990 583297991 /nfs/dbraw/zinc/29/79/91/583297991.db2.gz IZNKBFUSCSOTNV-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)Cc1cc[nH]c(=O)c1 ZINC000894089990 583297995 /nfs/dbraw/zinc/29/79/95/583297995.db2.gz IZNKBFUSCSOTNV-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cccc2c1OCC2 ZINC000894091563 583300185 /nfs/dbraw/zinc/30/01/85/583300185.db2.gz SPZLGOWAPLMQBG-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO CCn1cc(C[NH+]2CC(C(C)C)C2)nn1 ZINC000894134210 583313541 /nfs/dbraw/zinc/31/35/41/583313541.db2.gz LJAQNMQSQSLUAL-UHFFFAOYSA-N 1 2 208.309 1.386 20 0 BDADLO Cc1nnc(C[NH+]2CC(C(C)C)C2)s1 ZINC000894135859 583314468 /nfs/dbraw/zinc/31/44/68/583314468.db2.gz XIXRFPKHQUBBFP-UHFFFAOYSA-N 1 2 211.334 1.934 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)CS1 ZINC000894193912 583333673 /nfs/dbraw/zinc/33/36/73/583333673.db2.gz ICMJMDZPNJHGJN-DTWKUNHWSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)CS1 ZINC000894193912 583333675 /nfs/dbraw/zinc/33/36/75/583333675.db2.gz ICMJMDZPNJHGJN-DTWKUNHWSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCNC(=O)CC2)[nH+]1 ZINC000894206773 583349894 /nfs/dbraw/zinc/34/98/94/583349894.db2.gz OXILEFZZKSFBOB-UWVGGRQHSA-N 1 2 249.314 1.216 20 0 BDADLO COC[C@H](COCc1[nH]cc[nH+]1)C(C)C ZINC000877883867 583352936 /nfs/dbraw/zinc/35/29/36/583352936.db2.gz NGJWELDATVGENA-SNVBAGLBSA-N 1 2 212.293 1.845 20 0 BDADLO O=C(COC1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878552788 583381556 /nfs/dbraw/zinc/38/15/56/583381556.db2.gz CPIVKJXMFUDZML-UHFFFAOYSA-N 1 2 249.314 1.295 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ccc(F)cc1 ZINC000747778980 583388150 /nfs/dbraw/zinc/38/81/50/583388150.db2.gz AACDQHNZWCQPNJ-UHFFFAOYSA-N 1 2 234.230 1.916 20 0 BDADLO Cc1noc2ncc(C[NH2+]Cc3cocn3)cc12 ZINC000894276958 583406428 /nfs/dbraw/zinc/40/64/28/583406428.db2.gz YXKZTXFIWYFJPL-UHFFFAOYSA-N 1 2 244.254 1.809 20 0 BDADLO C[N@@H+](Cc1ccccc1)CN1CCC1=O ZINC000857229507 588896819 /nfs/dbraw/zinc/89/68/19/588896819.db2.gz UWCYQJLHKGDPKB-UHFFFAOYSA-N 1 2 204.273 1.308 20 0 BDADLO C[N@H+](Cc1ccccc1)CN1CCC1=O ZINC000857229507 588896820 /nfs/dbraw/zinc/89/68/20/588896820.db2.gz UWCYQJLHKGDPKB-UHFFFAOYSA-N 1 2 204.273 1.308 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879624726 583442061 /nfs/dbraw/zinc/44/20/61/583442061.db2.gz ZZDNVXIYKBRABY-WCBMZHEXSA-N 1 2 238.335 1.267 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@H](O)CC(C)(C)C2)[nH]1 ZINC000879624726 583442062 /nfs/dbraw/zinc/44/20/62/583442062.db2.gz ZZDNVXIYKBRABY-WCBMZHEXSA-N 1 2 238.335 1.267 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000894465081 583467022 /nfs/dbraw/zinc/46/70/22/583467022.db2.gz RLOPRSBDDSLVIZ-UHFFFAOYSA-N 1 2 247.302 1.279 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2nnc(C)[nH]2)c(C)n1 ZINC000894468609 583468713 /nfs/dbraw/zinc/46/87/13/583468713.db2.gz YKBGXRFBQDJDPK-SECBINFHSA-N 1 2 248.334 1.489 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000894488114 583470448 /nfs/dbraw/zinc/47/04/48/583470448.db2.gz SYFNGIXRTFWVAL-GHMZBOCLSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000894488114 583470451 /nfs/dbraw/zinc/47/04/51/583470451.db2.gz SYFNGIXRTFWVAL-GHMZBOCLSA-N 1 2 223.320 1.507 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](C)n3ncnc32)nc[nH+]1 ZINC000894492276 583472601 /nfs/dbraw/zinc/47/26/01/583472601.db2.gz OPSUSVSFPUCICR-JGVFFNPUSA-N 1 2 245.290 1.228 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H](C)n3ncnc32)[nH+]cn1 ZINC000894492276 583472603 /nfs/dbraw/zinc/47/26/03/583472603.db2.gz OPSUSVSFPUCICR-JGVFFNPUSA-N 1 2 245.290 1.228 20 0 BDADLO CC[C@H](CO)Nc1cc(N[C@H]2C=CCC2)nc[nH+]1 ZINC000894523134 583477882 /nfs/dbraw/zinc/47/78/82/583477882.db2.gz UIVYYCOISLYITP-MNOVXSKESA-N 1 2 248.330 1.790 20 0 BDADLO CC[C@H](CO)Nc1cc(N[C@H]2C=CCC2)[nH+]cn1 ZINC000894523134 583477884 /nfs/dbraw/zinc/47/78/84/583477884.db2.gz UIVYYCOISLYITP-MNOVXSKESA-N 1 2 248.330 1.790 20 0 BDADLO CCOC(=O)[C@H](C)NCc1c(C)cc[nH+]c1N ZINC000894539347 583480004 /nfs/dbraw/zinc/48/00/04/583480004.db2.gz QPXFPQQUGBGDLL-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO Cc1noc([C@H](C)NCc2c(C)cc[nH+]c2N)n1 ZINC000894542098 583480480 /nfs/dbraw/zinc/48/04/80/583480480.db2.gz FAHXDGNPPJSYMD-QMMMGPOBSA-N 1 2 247.302 1.514 20 0 BDADLO C[C@@H](O)c1cccc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]1 ZINC000894566173 583484176 /nfs/dbraw/zinc/48/41/76/583484176.db2.gz NSJVHONDYHJYBI-GBIKHYSHSA-N 1 2 234.299 1.096 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000894566082 583484331 /nfs/dbraw/zinc/48/43/31/583484331.db2.gz JUEUPHQXSMQNIB-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000894566082 583484333 /nfs/dbraw/zinc/48/43/33/583484333.db2.gz JUEUPHQXSMQNIB-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC23CCOCC3)c1C ZINC000894571497 583485912 /nfs/dbraw/zinc/48/59/12/583485912.db2.gz SAXRDUCBEDDXNX-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC23CCOCC3)c1C ZINC000894571497 583485914 /nfs/dbraw/zinc/48/59/14/583485914.db2.gz SAXRDUCBEDDXNX-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1ncc[nH]1)OC ZINC000894586711 583489729 /nfs/dbraw/zinc/48/97/29/583489729.db2.gz SPCUJRCFDSCLCW-SNVBAGLBSA-N 1 2 211.309 1.657 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1ncc[nH]1)OC ZINC000894586711 583489730 /nfs/dbraw/zinc/48/97/30/583489730.db2.gz SPCUJRCFDSCLCW-SNVBAGLBSA-N 1 2 211.309 1.657 20 0 BDADLO CC(C)c1c[nH]c(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000894587134 583490266 /nfs/dbraw/zinc/49/02/66/583490266.db2.gz RDKCYJFKFZNNJC-UHFFFAOYSA-N 1 2 233.319 1.888 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(OCC)o1 ZINC000894593590 583492834 /nfs/dbraw/zinc/49/28/34/583492834.db2.gz VMBZKKZTIUQSNU-UHFFFAOYSA-N 1 2 240.303 1.376 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(OCC)o1 ZINC000894593590 583492836 /nfs/dbraw/zinc/49/28/36/583492836.db2.gz VMBZKKZTIUQSNU-UHFFFAOYSA-N 1 2 240.303 1.376 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@@H]1COC ZINC000894613127 583494418 /nfs/dbraw/zinc/49/44/18/583494418.db2.gz UEBNYRKNLRTZCH-MRVPVSSYSA-N 1 2 243.738 1.846 20 0 BDADLO CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@@H]1COC ZINC000894613127 583494419 /nfs/dbraw/zinc/49/44/19/583494419.db2.gz UEBNYRKNLRTZCH-MRVPVSSYSA-N 1 2 243.738 1.846 20 0 BDADLO COc1ccc(C[NH2+][C@H]2CCn3ccnc32)o1 ZINC000894669045 583503302 /nfs/dbraw/zinc/50/33/02/583503302.db2.gz PBTGZONDZXSYBV-JTQLQIEISA-N 1 2 233.271 1.719 20 0 BDADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1CO ZINC000894677483 583504468 /nfs/dbraw/zinc/50/44/68/583504468.db2.gz SESMIJMWQZPVPJ-WDEREUQCSA-N 1 2 246.314 1.184 20 0 BDADLO COCCOc1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000894672624 583504522 /nfs/dbraw/zinc/50/45/22/583504522.db2.gz WRASWZFFUOPOIF-JTQLQIEISA-N 1 2 243.278 1.849 20 0 BDADLO COCCOc1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000894672624 583504523 /nfs/dbraw/zinc/50/45/23/583504523.db2.gz WRASWZFFUOPOIF-JTQLQIEISA-N 1 2 243.278 1.849 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cccc([C@H](C)O)[nH+]2)C1 ZINC000894676350 583504667 /nfs/dbraw/zinc/50/46/67/583504667.db2.gz NBMVEJDKIKAATE-GXSJLCMTSA-N 1 2 249.314 1.168 20 0 BDADLO CCn1nncc1CNc1cccc([C@H](C)O)[nH+]1 ZINC000894700250 583509913 /nfs/dbraw/zinc/50/99/13/583509913.db2.gz NVYCTITXVZEJDN-VIFPVBQESA-N 1 2 247.302 1.358 20 0 BDADLO COCc1cc(NCc2[nH]cc(C)[nH+]2)ncn1 ZINC000894790495 583519841 /nfs/dbraw/zinc/51/98/41/583519841.db2.gz NSHYAFZXUJKRFY-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO COC1(C)CN(Cc2[nH]cc(C(C)C)[nH+]2)C1 ZINC000894781050 583520782 /nfs/dbraw/zinc/52/07/82/583520782.db2.gz NAUGISKTMKWRPA-UHFFFAOYSA-N 1 2 223.320 1.754 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000894782427 583521228 /nfs/dbraw/zinc/52/12/28/583521228.db2.gz ZDTBSPPZAYMTFW-UHFFFAOYSA-N 1 2 249.266 1.607 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cnn(C3CCC3)c2)C1 ZINC000894822869 583525803 /nfs/dbraw/zinc/52/58/03/583525803.db2.gz WICSUTGUCFLGAI-UHFFFAOYSA-N 1 2 249.358 1.811 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880299187 583526158 /nfs/dbraw/zinc/52/61/58/583526158.db2.gz DPUDZKJYIYCZHJ-MRVPVSSYSA-N 1 2 242.250 1.253 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CC[C@H](CF)C1 ZINC000880299187 583526159 /nfs/dbraw/zinc/52/61/59/583526159.db2.gz DPUDZKJYIYCZHJ-MRVPVSSYSA-N 1 2 242.250 1.253 20 0 BDADLO Cn1nc2c(c1C[NH+]1CC(C(F)F)C1)CCC2 ZINC000894829137 583527145 /nfs/dbraw/zinc/52/71/45/583527145.db2.gz YLJQZSQDAOINOE-UHFFFAOYSA-N 1 2 241.285 1.606 20 0 BDADLO Cn1cc(C[NH+]2CC(C)(O)C2)c(C2CCCC2)n1 ZINC000894831229 583528561 /nfs/dbraw/zinc/52/85/61/583528561.db2.gz URWFLXLHOGPCQP-UHFFFAOYSA-N 1 2 249.358 1.644 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2C[C@H](C)[C@H]2C)s1 ZINC000894861959 583535458 /nfs/dbraw/zinc/53/54/58/583535458.db2.gz PXYMMJLMOUTVAF-JGVFFNPUSA-N 1 2 240.328 1.770 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2C[C@H](C)[C@H]2C)s1 ZINC000894861959 583535461 /nfs/dbraw/zinc/53/54/61/583535461.db2.gz PXYMMJLMOUTVAF-JGVFFNPUSA-N 1 2 240.328 1.770 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)o1 ZINC000894865961 583538024 /nfs/dbraw/zinc/53/80/24/583538024.db2.gz RLLXQYLDIOLFHK-SECBINFHSA-N 1 2 235.287 1.873 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1ccco1)c1[nH]cc[nH+]1 ZINC000141077624 583549377 /nfs/dbraw/zinc/54/93/77/583549377.db2.gz NZZIZWQEVVWUFL-XNPJLODASA-N 1 2 231.255 1.893 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C=CCC1 ZINC000881497073 583553462 /nfs/dbraw/zinc/55/34/62/583553462.db2.gz SACHBFDNMRVCRA-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C=CCC1 ZINC000881497073 583553463 /nfs/dbraw/zinc/55/34/63/583553463.db2.gz SACHBFDNMRVCRA-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000894913406 583554636 /nfs/dbraw/zinc/55/46/36/583554636.db2.gz NHXVHYQYIOTUPK-MVWJERBFSA-N 1 2 248.330 1.408 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000894913407 583554645 /nfs/dbraw/zinc/55/46/45/583554645.db2.gz NHXVHYQYIOTUPK-YUSALJHKSA-N 1 2 248.330 1.408 20 0 BDADLO CNc1cc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)nc[nH+]1 ZINC000894922032 583556962 /nfs/dbraw/zinc/55/69/62/583556962.db2.gz NWNWXXKTVJPOQN-BDPUXZDNSA-N 1 2 246.314 1.354 20 0 BDADLO CNc1cc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[nH+]cn1 ZINC000894922032 583556968 /nfs/dbraw/zinc/55/69/68/583556968.db2.gz NWNWXXKTVJPOQN-BDPUXZDNSA-N 1 2 246.314 1.354 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3cnc(C)o3)C2)n[nH]1 ZINC000895011505 583568342 /nfs/dbraw/zinc/56/83/42/583568342.db2.gz KLUSRGZDELKREK-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3cnc(C)o3)C2)n[nH]1 ZINC000895011505 583568345 /nfs/dbraw/zinc/56/83/45/583568345.db2.gz KLUSRGZDELKREK-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO CC(=O)C1CCN(c2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000895062513 583576992 /nfs/dbraw/zinc/57/69/92/583576992.db2.gz GOQSQSLJHFQCQP-LLVKDONJSA-N 1 2 248.326 1.940 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)o1 ZINC000895114546 583591426 /nfs/dbraw/zinc/59/14/26/583591426.db2.gz MONPYARXOMRCJG-GMTAPVOTSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)o1 ZINC000895114546 583591428 /nfs/dbraw/zinc/59/14/28/583591428.db2.gz MONPYARXOMRCJG-GMTAPVOTSA-N 1 2 236.315 1.685 20 0 BDADLO COC(=O)[C@H]1CCN(c2nc[nH+]c(C)c2C)[C@@H]1C ZINC000882240927 583600706 /nfs/dbraw/zinc/60/07/06/583600706.db2.gz LRRWUSBOOQCUFV-MNOVXSKESA-N 1 2 249.314 1.481 20 0 BDADLO CC/C=C\CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895141698 583603288 /nfs/dbraw/zinc/60/32/88/583603288.db2.gz WSXDEBUDCLDQTO-PLNGDYQASA-N 1 2 222.292 1.186 20 0 BDADLO CCc1cc(N2CC=C[C@H]2CO)nc(CC)[nH+]1 ZINC000895163217 583611120 /nfs/dbraw/zinc/61/11/20/583611120.db2.gz NKQOSEPGPXWENC-NSHDSACASA-N 1 2 233.315 1.339 20 0 BDADLO CC(=O)[C@@H](OC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC000142446209 583612007 /nfs/dbraw/zinc/61/20/07/583612007.db2.gz WTNAZFVKVBIWEJ-RYUDHWBXSA-N 1 2 243.347 1.729 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC000895172841 583612989 /nfs/dbraw/zinc/61/29/89/583612989.db2.gz SXBOFDPJSLMZNH-BIIVOSGPSA-N 1 2 242.348 1.065 20 0 BDADLO C[C@@H]([NH2+]C1CC(C(F)F)C1)c1n[nH]c(=O)n1C ZINC000895177757 583616510 /nfs/dbraw/zinc/61/65/10/583616510.db2.gz RXAWGUVIUZGZTF-GRQBKTHUSA-N 1 2 246.261 1.215 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)cn1 ZINC000895178906 583617192 /nfs/dbraw/zinc/61/71/92/583617192.db2.gz YZNNPFOCHUANIW-VIFPVBQESA-N 1 2 247.302 1.075 20 0 BDADLO CSC1CC([NH2+][C@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895201280 583623886 /nfs/dbraw/zinc/62/38/86/583623886.db2.gz MZEDHEDAMJKNNY-JECWYVHBSA-N 1 2 242.348 1.065 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H](C)[C@@](C)(CO)C2)c1C ZINC000882636610 583629087 /nfs/dbraw/zinc/62/90/87/583629087.db2.gz XECIZFGUXNFVTI-TVQRCGJNSA-N 1 2 235.331 1.548 20 0 BDADLO CC1=NO[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000895304876 583643115 /nfs/dbraw/zinc/64/31/15/583643115.db2.gz NCXJKYLODZWXHC-MRVPVSSYSA-N 1 2 242.710 1.328 20 0 BDADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000895315962 583648835 /nfs/dbraw/zinc/64/88/35/583648835.db2.gz KWZNIXKAWOCKDJ-SNVBAGLBSA-N 1 2 249.314 1.166 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1C ZINC000895341011 583654708 /nfs/dbraw/zinc/65/47/08/583654708.db2.gz CDTNWASPJSUKEN-ZANVPECISA-N 1 2 237.347 1.477 20 0 BDADLO C[C@H](CN1CCOCC1)[N@@H+]1Cc2ccncc2C1 ZINC000857879208 588919349 /nfs/dbraw/zinc/91/93/49/588919349.db2.gz WHOLGVVEOWGIOJ-GFCCVEGCSA-N 1 2 247.342 1.118 20 0 BDADLO C[C@H](CN1CCOCC1)[N@H+]1Cc2ccncc2C1 ZINC000857879208 588919350 /nfs/dbraw/zinc/91/93/50/588919350.db2.gz WHOLGVVEOWGIOJ-GFCCVEGCSA-N 1 2 247.342 1.118 20 0 BDADLO CCn1cc(C[NH2+]Cc2cnc(F)c(C)c2)nn1 ZINC000895358663 583658347 /nfs/dbraw/zinc/65/83/47/583658347.db2.gz WLTXZFNGKQKZHE-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1C ZINC000895376683 583661614 /nfs/dbraw/zinc/66/16/14/583661614.db2.gz IAZSDHYXZKWBOU-JOYOIKCWSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1C ZINC000895376683 583661616 /nfs/dbraw/zinc/66/16/16/583661616.db2.gz IAZSDHYXZKWBOU-JOYOIKCWSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1coc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000895393419 583664545 /nfs/dbraw/zinc/66/45/45/583664545.db2.gz IZDOBKQIARMQNO-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO FC(F)[C@H]1CC[N@@H+]1CC[C@@H]1CCOC1 ZINC000895433607 583671767 /nfs/dbraw/zinc/67/17/67/583671767.db2.gz WUSHWKJJLNMJCZ-RKDXNWHRSA-N 1 2 205.248 1.752 20 0 BDADLO C/C(=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000857884754 588920460 /nfs/dbraw/zinc/92/04/60/588920460.db2.gz KSJDHDPFCYAEMJ-GULOHRGCSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1ncoc1C[NH+]1CC(OC(C)(C)C)C1 ZINC000895466889 583679098 /nfs/dbraw/zinc/67/90/98/583679098.db2.gz IIWUVLOLOMKHQP-UHFFFAOYSA-N 1 2 224.304 1.982 20 0 BDADLO C/C(=C\C(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886671 588921081 /nfs/dbraw/zinc/92/10/81/588921081.db2.gz HLYQFFNAJQRKCA-RUYJGKKWSA-N 1 2 247.342 1.916 20 0 BDADLO CCc1cc(NC2CC(CC(=O)OC)C2)nc[nH+]1 ZINC000895498753 583681444 /nfs/dbraw/zinc/68/14/44/583681444.db2.gz ICCKESZLMBFBNU-UHFFFAOYSA-N 1 2 249.314 1.793 20 0 BDADLO COC(=O)CC(C)(C)CNc1cc[nH+]cc1F ZINC000895509731 583682121 /nfs/dbraw/zinc/68/21/21/583682121.db2.gz WGXFLSKSUWEJEX-UHFFFAOYSA-N 1 2 240.278 1.644 20 0 BDADLO CC(C)Cc1ccc(C[NH2+]Cc2cnn[nH]2)cn1 ZINC000895530192 583685023 /nfs/dbraw/zinc/68/50/23/583685023.db2.gz FZPOKRADBDBFEM-UHFFFAOYSA-N 1 2 245.330 1.688 20 0 BDADLO COCCCC1(C[NH2+]Cc2c[nH]nn2)CCC1 ZINC000895535368 583686610 /nfs/dbraw/zinc/68/66/10/583686610.db2.gz ZXVZSAGFLYRPIK-UHFFFAOYSA-N 1 2 238.335 1.491 20 0 BDADLO COCCCC1(C[NH2+]Cc2cn[nH]n2)CCC1 ZINC000895535368 583686613 /nfs/dbraw/zinc/68/66/13/583686613.db2.gz ZXVZSAGFLYRPIK-UHFFFAOYSA-N 1 2 238.335 1.491 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000895536831 583687144 /nfs/dbraw/zinc/68/71/44/583687144.db2.gz JZKALHZAZTYILI-CHWFTXMASA-N 1 2 232.331 1.999 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000895536831 583687145 /nfs/dbraw/zinc/68/71/45/583687145.db2.gz JZKALHZAZTYILI-CHWFTXMASA-N 1 2 232.331 1.999 20 0 BDADLO CCc1nc(NC2CC(CC(N)=O)C2)cc[nH+]1 ZINC000895540952 583688020 /nfs/dbraw/zinc/68/80/20/583688020.db2.gz IKCHLZCXUQNIEU-UHFFFAOYSA-N 1 2 234.303 1.105 20 0 BDADLO c1cn(C2CC2)c(CN2CC3(C2)CCCO3)[nH+]1 ZINC000895592730 583695383 /nfs/dbraw/zinc/69/53/83/583695383.db2.gz WQNBLCYXTIVMKB-UHFFFAOYSA-N 1 2 233.315 1.583 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895616551 583696753 /nfs/dbraw/zinc/69/67/53/583696753.db2.gz WQDIZVKVFAHDSD-UHFFFAOYSA-N 1 2 249.358 1.967 20 0 BDADLO C[C@H](CC(=O)N1CCn2ccnc21)n1cc[nH+]c1 ZINC000857904288 588922545 /nfs/dbraw/zinc/92/25/45/588922545.db2.gz ZQEOBMITWBDIGX-SNVBAGLBSA-N 1 2 245.286 1.078 20 0 BDADLO CCc1nnc(C[NH2+]CC(C)(C)F)s1 ZINC000895690418 583707218 /nfs/dbraw/zinc/70/72/18/583707218.db2.gz DBTHJNBCVIUKAX-UHFFFAOYSA-N 1 2 217.313 1.938 20 0 BDADLO CCn1cc(C[NH2+]CC(C)(C)F)nn1 ZINC000895690364 583707537 /nfs/dbraw/zinc/70/75/37/583707537.db2.gz BHGIPOSXMGBKKH-UHFFFAOYSA-N 1 2 200.261 1.136 20 0 BDADLO CC(=O)OC[C@@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000895701075 583709499 /nfs/dbraw/zinc/70/94/99/583709499.db2.gz WZQBOLVUOBZDTI-SECBINFHSA-N 1 2 237.303 1.511 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cnn(C3CCC3)c2)n1 ZINC000895705294 583710086 /nfs/dbraw/zinc/71/00/86/583710086.db2.gz YDUQBZQRBHKMSD-UHFFFAOYSA-N 1 2 231.303 1.621 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncncc3C2)sn1 ZINC000895723162 583712833 /nfs/dbraw/zinc/71/28/33/583712833.db2.gz CPBHZDSCAGEXBE-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncncc3C2)sn1 ZINC000895723162 583712835 /nfs/dbraw/zinc/71/28/35/583712835.db2.gz CPBHZDSCAGEXBE-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Oc1cccc(C[N@@H+]2CCc3ncncc3C2)c1 ZINC000895722585 583712888 /nfs/dbraw/zinc/71/28/88/583712888.db2.gz JWUFINXNOMXWLY-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1cccc(C[N@H+]2CCc3ncncc3C2)c1 ZINC000895722585 583712890 /nfs/dbraw/zinc/71/28/90/583712890.db2.gz JWUFINXNOMXWLY-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1cccc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000895757498 583721633 /nfs/dbraw/zinc/72/16/33/583721633.db2.gz WCLHSDXYAVGNPT-UHFFFAOYSA-N 1 2 244.298 1.390 20 0 BDADLO Oc1cccc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000895757498 583721635 /nfs/dbraw/zinc/72/16/35/583721635.db2.gz WCLHSDXYAVGNPT-UHFFFAOYSA-N 1 2 244.298 1.390 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857946948 588924822 /nfs/dbraw/zinc/92/48/22/588924822.db2.gz IUHRBZBBRSSGLM-ONGXEEELSA-N 1 2 239.294 1.308 20 0 BDADLO COCCCC1(C[NH2+][C@H]2CCOC2=O)CCC1 ZINC000895808640 583729978 /nfs/dbraw/zinc/72/99/78/583729978.db2.gz RDWZYJZOUPIBMC-NSHDSACASA-N 1 2 241.331 1.488 20 0 BDADLO CO[C@@H](C[NH2+][C@H]1CCOC1=O)Cc1ccccc1 ZINC000895808351 583732876 /nfs/dbraw/zinc/73/28/76/583732876.db2.gz GIXZMARWDYRKPN-OLZOCXBDSA-N 1 2 249.310 1.149 20 0 BDADLO CCN(CCC(N)=O)c1cc[nH+]c(C(C)C)n1 ZINC000895889215 583739546 /nfs/dbraw/zinc/73/95/46/583739546.db2.gz MQIGIJRXEYFTSO-UHFFFAOYSA-N 1 2 236.319 1.302 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N(C)C2CC2)c[nH+]1 ZINC000895895683 583743828 /nfs/dbraw/zinc/74/38/28/583743828.db2.gz CHFMRAJCZQAIDH-UHFFFAOYSA-N 1 2 221.304 1.547 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2COC[C@H]2C)[nH+]1 ZINC000895907944 583745298 /nfs/dbraw/zinc/74/52/98/583745298.db2.gz FITCGDIQVBICQP-WCABBAIRSA-N 1 2 222.288 1.582 20 0 BDADLO Cc1ccoc1CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857974464 588926131 /nfs/dbraw/zinc/92/61/31/588926131.db2.gz HSIJSZCHWFUIDY-SNVBAGLBSA-N 1 2 245.282 1.588 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000895970878 583755924 /nfs/dbraw/zinc/75/59/24/583755924.db2.gz VPYHXINSEXBUKM-LBPRGKRZSA-N 1 2 223.272 1.197 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000895970878 583755925 /nfs/dbraw/zinc/75/59/25/583755925.db2.gz VPYHXINSEXBUKM-LBPRGKRZSA-N 1 2 223.272 1.197 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000895970877 583756442 /nfs/dbraw/zinc/75/64/42/583756442.db2.gz VPYHXINSEXBUKM-GFCCVEGCSA-N 1 2 223.272 1.197 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000895970877 583756443 /nfs/dbraw/zinc/75/64/43/583756443.db2.gz VPYHXINSEXBUKM-GFCCVEGCSA-N 1 2 223.272 1.197 20 0 BDADLO COCC1C[NH+](Cc2cnc(Cl)c(F)c2)C1 ZINC000895975293 583756923 /nfs/dbraw/zinc/75/69/23/583756923.db2.gz UXXALMCHFCGYNL-UHFFFAOYSA-N 1 2 244.697 1.952 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977119 588927046 /nfs/dbraw/zinc/92/70/46/588927046.db2.gz AOLKBIVOTGHSPL-ABRRARGCSA-N 1 2 219.288 1.800 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(C)(F)F ZINC000857978868 588927247 /nfs/dbraw/zinc/92/72/47/588927247.db2.gz RDTYNOPYQSPAOQ-YUMQZZPRSA-N 1 2 243.257 1.735 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979513 588927666 /nfs/dbraw/zinc/92/76/66/588927666.db2.gz CHQIYCTXGOLNEH-BDAKNGLRSA-N 1 2 219.288 1.490 20 0 BDADLO O=C(CCC(F)(F)F)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982484 588927770 /nfs/dbraw/zinc/92/77/70/588927770.db2.gz JFMHQXVTEBXGOI-SSDOTTSWSA-N 1 2 247.220 1.787 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)C1CC(F)(F)C1 ZINC000857982483 588927858 /nfs/dbraw/zinc/92/78/58/588927858.db2.gz JDERSINBRHYXMS-QMMMGPOBSA-N 1 2 241.241 1.489 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981291 588927877 /nfs/dbraw/zinc/92/78/77/588927877.db2.gz ZAFYBFWOSHUIGZ-SSDOTTSWSA-N 1 2 211.240 1.192 20 0 BDADLO O=C(CC[C@@H]1CCOC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983008 588927955 /nfs/dbraw/zinc/92/79/55/588927955.db2.gz ODWLTBQNALGZJJ-GHMZBOCLSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000857982895 588928086 /nfs/dbraw/zinc/92/80/86/588928086.db2.gz NZMSMGXZGMYRQN-KLBPJQLPSA-N 1 2 231.299 1.490 20 0 BDADLO CO[C@H](C)CCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981968 588928117 /nfs/dbraw/zinc/92/81/17/588928117.db2.gz KMCGEISIUYLNJV-NXEZZACHSA-N 1 2 237.303 1.259 20 0 BDADLO C[C@@H]1C[C@H]1c1noc(C2([NH+](C)C)CC2)n1 ZINC000896123674 583773725 /nfs/dbraw/zinc/77/37/25/583773725.db2.gz JNJPLQFDEFHJOT-HTQZYQBOSA-N 1 2 207.277 1.744 20 0 BDADLO CCC[N@H+](CC)Cn1nc2c(cc1=O)CCCC2 ZINC000727820242 583777717 /nfs/dbraw/zinc/77/77/17/583777717.db2.gz CSNFQPAZUJBCHD-UHFFFAOYSA-N 1 2 249.358 1.812 20 0 BDADLO CCC[N@@H+](CC)Cn1nc2c(cc1=O)CCCC2 ZINC000727820242 583777719 /nfs/dbraw/zinc/77/77/19/583777719.db2.gz CSNFQPAZUJBCHD-UHFFFAOYSA-N 1 2 249.358 1.812 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(F)(F)F ZINC000857983439 588928522 /nfs/dbraw/zinc/92/85/22/588928522.db2.gz RUWSFHHVFXTQEQ-BQBZGAKWSA-N 1 2 247.220 1.643 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983526 588928639 /nfs/dbraw/zinc/92/86/39/588928639.db2.gz BFAALWCCOMTFFB-VIFPVBQESA-N 1 2 221.304 1.880 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984860 588928704 /nfs/dbraw/zinc/92/87/04/588928704.db2.gz FILBFBLQZNOEGJ-QZGLAHODSA-N 1 2 205.261 1.410 20 0 BDADLO COCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984190 588928779 /nfs/dbraw/zinc/92/87/79/588928779.db2.gz HIDMDKFJLHRQRJ-JTQLQIEISA-N 1 2 237.303 1.261 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3cocn3)C2)no1 ZINC000896238434 583785391 /nfs/dbraw/zinc/78/53/91/583785391.db2.gz WNNIMQMVLZOIBC-SECBINFHSA-N 1 2 234.259 1.356 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cocn3)C2)no1 ZINC000896238434 583785393 /nfs/dbraw/zinc/78/53/93/583785393.db2.gz WNNIMQMVLZOIBC-SECBINFHSA-N 1 2 234.259 1.356 20 0 BDADLO CCCSCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985469 588929471 /nfs/dbraw/zinc/92/94/71/588929471.db2.gz KSWKFAMIXYGIIV-VIFPVBQESA-N 1 2 239.344 1.587 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)c1c[nH]cn1)CCN2 ZINC000857996946 588929724 /nfs/dbraw/zinc/92/97/24/588929724.db2.gz GLXTUXVODUNCES-UHFFFAOYSA-N 1 2 243.270 1.185 20 0 BDADLO C/C=C/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857992414 588930181 /nfs/dbraw/zinc/93/01/81/588930181.db2.gz XXWYRGWIBMKWNA-RXMSJDEBSA-N 1 2 217.272 1.576 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857991457 588930192 /nfs/dbraw/zinc/93/01/92/588930192.db2.gz YHANKRRMTIILMO-VGMNWLOBSA-N 1 2 205.261 1.100 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1CC(=O)C1)CCN2 ZINC000858000322 588930303 /nfs/dbraw/zinc/93/03/03/588930303.db2.gz ZFXCEOJFLBWCAU-UHFFFAOYSA-N 1 2 245.282 1.128 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H]1CC13CC3)CCN2 ZINC000858001151 588930534 /nfs/dbraw/zinc/93/05/34/588930534.db2.gz RURQIGMVVKESIK-JTQLQIEISA-N 1 2 243.310 1.949 20 0 BDADLO c1cc(NCCO[C@@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000896478939 583805104 /nfs/dbraw/zinc/80/51/04/583805104.db2.gz GKGLFTBRYXJXCY-LLVKDONJSA-N 1 2 249.314 1.571 20 0 BDADLO C[C@@H](Cc1nc(-c2c[nH]cn2)no1)n1cc[nH+]c1 ZINC000896483218 583806306 /nfs/dbraw/zinc/80/63/06/583806306.db2.gz UCEJHIIWBXZTMR-QMMMGPOBSA-N 1 2 244.258 1.460 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)c(C)o1 ZINC000858197255 588938465 /nfs/dbraw/zinc/93/84/65/588938465.db2.gz GUEPMHIAZLVTML-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cccc(F)n1)C2 ZINC000896660352 583820788 /nfs/dbraw/zinc/82/07/88/583820788.db2.gz XFTVGLIFOLAUSK-UHFFFAOYSA-N 1 2 246.289 2.000 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nccnc1F)C2 ZINC000896654754 583821361 /nfs/dbraw/zinc/82/13/61/583821361.db2.gz RTORBTYLFMNZMW-UHFFFAOYSA-N 1 2 247.277 1.395 20 0 BDADLO Cn1nnc2c1C[C@H](Nc1cccc[nH+]1)CC2 ZINC000896680013 583823010 /nfs/dbraw/zinc/82/30/10/583823010.db2.gz KJVSCHVLXFWPDS-SECBINFHSA-N 1 2 229.287 1.180 20 0 BDADLO Cc1nc(NCc2noc3c2COCC3)cc[nH+]1 ZINC000896707612 583823672 /nfs/dbraw/zinc/82/36/72/583823672.db2.gz XNTBQBVUHVNHFW-UHFFFAOYSA-N 1 2 246.270 1.458 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@H](CO)C2)nc[nH+]1 ZINC000896695105 583824394 /nfs/dbraw/zinc/82/43/94/583824394.db2.gz MVVGQTBDJOXZNM-MGCOHNPYSA-N 1 2 236.319 1.481 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@H](CO)C2)[nH+]cn1 ZINC000896695105 583824395 /nfs/dbraw/zinc/82/43/95/583824395.db2.gz MVVGQTBDJOXZNM-MGCOHNPYSA-N 1 2 236.319 1.481 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(C2CSC2)no1 ZINC000896731671 583828147 /nfs/dbraw/zinc/82/81/47/583828147.db2.gz SJXRKAVTJSATNF-UHFFFAOYSA-N 1 2 236.300 1.224 20 0 BDADLO CCCCCC[C@@H](C)[NH2+]CC(=O)NOC ZINC000896927599 583859426 /nfs/dbraw/zinc/85/94/26/583859426.db2.gz RPSRSPWFRHZJIN-SNVBAGLBSA-N 1 2 216.325 1.613 20 0 BDADLO Cc1conc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896906972 583851671 /nfs/dbraw/zinc/85/16/71/583851671.db2.gz ZMQCTQCWRNOPBM-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC(C)(C)C1 ZINC000868849291 583853264 /nfs/dbraw/zinc/85/32/64/583853264.db2.gz HJASFOOTCXVSTH-SNVBAGLBSA-N 1 2 237.303 1.090 20 0 BDADLO COC[C@H](C)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896916824 583855369 /nfs/dbraw/zinc/85/53/69/583855369.db2.gz KLONVUJXWHDRIO-MRVPVSSYSA-N 1 2 239.319 1.315 20 0 BDADLO CONC(=O)C[NH2+]C[C@H](C)C1CCCCC1 ZINC000896927386 583859562 /nfs/dbraw/zinc/85/95/62/583859562.db2.gz RHNHWPQNTFDBAN-JTQLQIEISA-N 1 2 228.336 1.470 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccoc2)[nH+]c1C ZINC000896928146 583859588 /nfs/dbraw/zinc/85/95/88/583859588.db2.gz QSAUKYIPANMCMY-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CC[C@@H](Cc1cccs1)[NH2+]CC(=O)NOC ZINC000896926729 583860133 /nfs/dbraw/zinc/86/01/33/583860133.db2.gz LSWAIZVINLRLGW-VIFPVBQESA-N 1 2 242.344 1.336 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCCCF)c[nH+]1 ZINC000897046741 583872815 /nfs/dbraw/zinc/87/28/15/583872815.db2.gz GNQCIGAZTKVWHS-UHFFFAOYSA-N 1 2 227.283 1.402 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000897066929 583876361 /nfs/dbraw/zinc/87/63/61/583876361.db2.gz CGEHUNXUARFUDM-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000897066929 583876362 /nfs/dbraw/zinc/87/63/62/583876362.db2.gz CGEHUNXUARFUDM-JTQLQIEISA-N 1 2 242.269 1.971 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000897067129 583876606 /nfs/dbraw/zinc/87/66/06/583876606.db2.gz DMDXLCFPQBWBCQ-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000897067129 583876608 /nfs/dbraw/zinc/87/66/08/583876608.db2.gz DMDXLCFPQBWBCQ-JTQLQIEISA-N 1 2 243.738 1.684 20 0 BDADLO CCc1nc(N(C)[C@@H]2CC[C@H]2OC)cc[nH+]1 ZINC000897140592 583883024 /nfs/dbraw/zinc/88/30/24/583883024.db2.gz ZLCBJXLOMZNQOV-NXEZZACHSA-N 1 2 221.304 1.653 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)[C@@H]1CC[C@H]1OC ZINC000897141981 583883862 /nfs/dbraw/zinc/88/38/62/583883862.db2.gz DWGUODCCWQMFNI-NXEZZACHSA-N 1 2 237.303 1.407 20 0 BDADLO OCCC1CC(Nc2cc[nH+]cc2F)C1 ZINC000897233015 583899364 /nfs/dbraw/zinc/89/93/64/583899364.db2.gz ADJDVFBFGSDMEA-UHFFFAOYSA-N 1 2 210.252 1.216 20 0 BDADLO CNc1cc(NC2CC(CCO)C2)[nH+]cn1 ZINC000897236227 583900217 /nfs/dbraw/zinc/90/02/17/583900217.db2.gz DDZJCBLHVAUTDN-UHFFFAOYSA-N 1 2 222.292 1.091 20 0 BDADLO COc1cc[nH+]cc1NC(=O)/C=C\SC ZINC000751465052 583910111 /nfs/dbraw/zinc/91/01/11/583910111.db2.gz XOBNYPZHZIJRSZ-XQRVVYSFSA-N 1 2 224.285 1.905 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537311 583910156 /nfs/dbraw/zinc/91/01/56/583910156.db2.gz HEUMYWGRNSDQHL-QKWZMYFISA-N 1 2 237.278 1.578 20 0 BDADLO CCn1nncc1C[NH2+]Cc1nc(C)cs1 ZINC000858202537 588938707 /nfs/dbraw/zinc/93/87/07/588938707.db2.gz BLHOPHZKVNXQON-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO COc1cccc(C[NH2+]Cc2cn(C)cn2)c1F ZINC000858210697 588939091 /nfs/dbraw/zinc/93/90/91/588939091.db2.gz WAXAPELOPOJLQH-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO Cc1cnc2c(c1)N(C(=O)Cn1cc[nH+]c1)CC2 ZINC000888143307 583970589 /nfs/dbraw/zinc/97/05/89/583970589.db2.gz PYLYDPYMNSHJJE-UHFFFAOYSA-N 1 2 242.282 1.176 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)COC1CC1 ZINC000888161083 583975749 /nfs/dbraw/zinc/97/57/49/583975749.db2.gz UXGZKLNOQAEJSV-UHFFFAOYSA-N 1 2 235.287 1.265 20 0 BDADLO c1ccc(N[C@@H]2COC[C@H]2C2CC2)[nH+]c1 ZINC000897441587 583984708 /nfs/dbraw/zinc/98/47/08/583984708.db2.gz HCSSGDPSZYYMTF-WDEREUQCSA-N 1 2 204.273 1.919 20 0 BDADLO Cc1nc(N[C@@H]2COC[C@@H]2C2CC2)cc[nH+]1 ZINC000897446282 583986365 /nfs/dbraw/zinc/98/63/65/583986365.db2.gz DJUJLBRNPPLSCA-GHMZBOCLSA-N 1 2 219.288 1.622 20 0 BDADLO CCc1cc(N[C@@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897448465 583986955 /nfs/dbraw/zinc/98/69/55/583986955.db2.gz VVWJUNDGLUJBFB-VXGBXAGGSA-N 1 2 233.315 1.876 20 0 BDADLO CCC/C=C/C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729385134 583996781 /nfs/dbraw/zinc/99/67/81/583996781.db2.gz OQKWYQPYAAONLW-BTDICHCPSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C/C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729385134 583996784 /nfs/dbraw/zinc/99/67/84/583996784.db2.gz OQKWYQPYAAONLW-BTDICHCPSA-N 1 2 240.347 1.180 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889592881 584010394 /nfs/dbraw/zinc/01/03/94/584010394.db2.gz LOXQDWOZRYPSLS-HBNTYKKESA-N 1 2 219.288 1.188 20 0 BDADLO COC(=O)C[C@@H]1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000897539451 584011743 /nfs/dbraw/zinc/01/17/43/584011743.db2.gz CJAXEOXVITXOPJ-MNOVXSKESA-N 1 2 249.314 1.929 20 0 BDADLO CO[C@H](CO[NH+]=C(N)[C@H](C)OC)CC(C)C ZINC000842035811 584022178 /nfs/dbraw/zinc/02/21/78/584022178.db2.gz FBYOEUBTEHKYRK-UWVGGRQHSA-N 1 2 232.324 1.581 20 0 BDADLO Fc1nccnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000858390580 588950929 /nfs/dbraw/zinc/95/09/29/588950929.db2.gz JUJWJOFXUCYJFZ-JTQLQIEISA-N 1 2 247.277 1.654 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000897678807 584036679 /nfs/dbraw/zinc/03/66/79/584036679.db2.gz FKHJYVLXAKXVLL-OIBJUYFYSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)ncc2F)C[C@H]1O ZINC000897678807 584036680 /nfs/dbraw/zinc/03/66/80/584036680.db2.gz FKHJYVLXAKXVLL-OIBJUYFYSA-N 1 2 228.242 1.172 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000897730042 584046092 /nfs/dbraw/zinc/04/60/92/584046092.db2.gz IZIXNJOBUWQCPD-NWDGAFQWSA-N 1 2 247.342 1.938 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)C1(C2CC2)CC1 ZINC000897795674 584049221 /nfs/dbraw/zinc/04/92/21/584049221.db2.gz JRHPVRZVIIVDKX-UHFFFAOYSA-N 1 2 231.299 1.485 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)C1(C2CC2)CC1 ZINC000897795674 584049223 /nfs/dbraw/zinc/04/92/23/584049223.db2.gz JRHPVRZVIIVDKX-UHFFFAOYSA-N 1 2 231.299 1.485 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)C(=O)OC ZINC000897833782 584053080 /nfs/dbraw/zinc/05/30/80/584053080.db2.gz YEPQWUXUOWCNQX-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc3nonc3c2)no1 ZINC000897991789 584073248 /nfs/dbraw/zinc/07/32/48/584073248.db2.gz UGULQZSFMJYTKS-UHFFFAOYSA-N 1 2 244.254 1.809 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2cn(C)cn2)cn1 ZINC000898044730 584073300 /nfs/dbraw/zinc/07/33/00/584073300.db2.gz AXEYQHHIYKGTKO-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)nn1 ZINC000898046820 584073925 /nfs/dbraw/zinc/07/39/25/584073925.db2.gz YOGAIGOOMVCQBM-JQWIXIFHSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)nn1 ZINC000898046820 584073927 /nfs/dbraw/zinc/07/39/27/584073927.db2.gz YOGAIGOOMVCQBM-JQWIXIFHSA-N 1 2 238.335 1.155 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@H](C)c1ccccn1 ZINC000898029643 584077700 /nfs/dbraw/zinc/07/77/00/584077700.db2.gz YQDHGOJTYYQZEY-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cc(C)nn2C)n1 ZINC000858444589 588955323 /nfs/dbraw/zinc/95/53/23/588955323.db2.gz NEWXRFVAYGECPB-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000898131879 584084764 /nfs/dbraw/zinc/08/47/64/584084764.db2.gz CFDBSBZMUOFYDO-LBPRGKRZSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000898131879 584084765 /nfs/dbraw/zinc/08/47/65/584084765.db2.gz CFDBSBZMUOFYDO-LBPRGKRZSA-N 1 2 249.314 1.938 20 0 BDADLO c1cc(CC2C[NH+](Cc3cocn3)C2)co1 ZINC000898160750 584088264 /nfs/dbraw/zinc/08/82/64/584088264.db2.gz RVPMXKYLPDHSOE-UHFFFAOYSA-N 1 2 218.256 1.942 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898182842 584092891 /nfs/dbraw/zinc/09/28/91/584092891.db2.gz GRFXJMJABHEOGD-ZJUUUORDSA-N 1 2 229.251 1.193 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898182842 584092892 /nfs/dbraw/zinc/09/28/92/584092892.db2.gz GRFXJMJABHEOGD-ZJUUUORDSA-N 1 2 229.251 1.193 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898182373 584093158 /nfs/dbraw/zinc/09/31/58/584093158.db2.gz CHGMLKXLKQKMFI-QWRGUYRKSA-N 1 2 243.278 1.583 20 0 BDADLO CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898182373 584093159 /nfs/dbraw/zinc/09/31/59/584093159.db2.gz CHGMLKXLKQKMFI-QWRGUYRKSA-N 1 2 243.278 1.583 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC=C(Cl)C1 ZINC000898191793 584095730 /nfs/dbraw/zinc/09/57/30/584095730.db2.gz UKLJJMOPSVBEID-UHFFFAOYSA-N 1 2 239.706 1.628 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000898192973 584096016 /nfs/dbraw/zinc/09/60/16/584096016.db2.gz NFWZLSPOHSIHJP-GXFFZTMASA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000898192973 584096018 /nfs/dbraw/zinc/09/60/18/584096018.db2.gz NFWZLSPOHSIHJP-GXFFZTMASA-N 1 2 249.289 1.468 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@]23C[C@H]2CCC3)c1 ZINC000898612863 584146115 /nfs/dbraw/zinc/14/61/15/584146115.db2.gz VCSSNFKVDULGPA-BXKDBHETSA-N 1 2 234.303 1.162 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898628092 584147117 /nfs/dbraw/zinc/14/71/17/584147117.db2.gz QLOGFWVZGPNRDH-VHSXEESVSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)[C@@H](C)O1 ZINC000898810019 584159963 /nfs/dbraw/zinc/15/99/63/584159963.db2.gz HALSNTGJUMSRDQ-CHWFTXMASA-N 1 2 249.314 1.258 20 0 BDADLO CC(C)(CNC(=O)c1ccon1)n1cc[nH+]c1 ZINC000898901033 584165005 /nfs/dbraw/zinc/16/50/05/584165005.db2.gz CBPZAHFLWWGBHO-UHFFFAOYSA-N 1 2 234.259 1.036 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC000898904587 584165244 /nfs/dbraw/zinc/16/52/44/584165244.db2.gz ICBYPCVAQFKFRO-JTQLQIEISA-N 1 2 235.331 1.781 20 0 BDADLO CCn1c[nH+]c(C=Cc2ncc(OC)c(=O)[nH]2)c1 ZINC000899379409 584209302 /nfs/dbraw/zinc/20/93/02/584209302.db2.gz YMVUVAUBMSMYPY-SNAWJCMRSA-N 1 2 246.270 1.578 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C3CC3)CCC2)c[nH+]1 ZINC000899823773 584240536 /nfs/dbraw/zinc/24/05/36/584240536.db2.gz JITYLLMHPZJPIO-UHFFFAOYSA-N 1 2 219.288 1.781 20 0 BDADLO CCn1cc(C[NH+]2CCC(C(C)=O)CC2)nn1 ZINC000899867912 584243903 /nfs/dbraw/zinc/24/39/03/584243903.db2.gz YJKAMESWAKPIQV-UHFFFAOYSA-N 1 2 236.319 1.099 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)nn1 ZINC000899874463 584245596 /nfs/dbraw/zinc/24/55/96/584245596.db2.gz VVFXKAKJYDRVRQ-GFCCVEGCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)nn1 ZINC000899874463 584245599 /nfs/dbraw/zinc/24/55/99/584245599.db2.gz VVFXKAKJYDRVRQ-GFCCVEGCSA-N 1 2 238.335 1.297 20 0 BDADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000858580728 588968595 /nfs/dbraw/zinc/96/85/95/588968595.db2.gz VBKFNWMNKDJIKP-IUCAKERBSA-N 1 2 241.291 1.042 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)nn1 ZINC000899884775 584246662 /nfs/dbraw/zinc/24/66/62/584246662.db2.gz VYBKOTWNYRNRLW-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)nn1 ZINC000899884775 584246663 /nfs/dbraw/zinc/24/66/63/584246663.db2.gz VYBKOTWNYRNRLW-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000858587056 588969825 /nfs/dbraw/zinc/96/98/25/588969825.db2.gz NDWHDYGSJPLTHY-HTQZYQBOSA-N 1 2 243.332 1.202 20 0 BDADLO CN(C(=O)CNc1cccc[nH+]1)C1CCCC1 ZINC000900071799 584269090 /nfs/dbraw/zinc/26/90/90/584269090.db2.gz QVJCOOKITPQUME-UHFFFAOYSA-N 1 2 233.315 1.895 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900203895 584285695 /nfs/dbraw/zinc/28/56/95/584285695.db2.gz NMWJQPGXDATOIA-ZJUUUORDSA-N 1 2 219.288 1.266 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]1c1ccccc1 ZINC000900202513 584287991 /nfs/dbraw/zinc/28/79/91/584287991.db2.gz KVJMWDFNUIOXOH-ZDUSSCGKSA-N 1 2 241.294 1.926 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1nc(C2CC2)cs1 ZINC000900328290 584295236 /nfs/dbraw/zinc/29/52/36/584295236.db2.gz ICYRIFQCKAPPGE-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nc(C2CC2)cs1 ZINC000900328290 584295238 /nfs/dbraw/zinc/29/52/38/584295238.db2.gz ICYRIFQCKAPPGE-UHFFFAOYSA-N 1 2 248.311 1.925 20 0 BDADLO C[C@H]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900346581 584296152 /nfs/dbraw/zinc/29/61/52/584296152.db2.gz KJYJVZRLTNBVBT-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CCC[C@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900346581 584296153 /nfs/dbraw/zinc/29/61/53/584296153.db2.gz KJYJVZRLTNBVBT-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC=CCC1 ZINC000900391820 584301458 /nfs/dbraw/zinc/30/14/58/584301458.db2.gz BQEKEFMBMVPXCZ-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CC=CCC1 ZINC000900391820 584301459 /nfs/dbraw/zinc/30/14/59/584301459.db2.gz BQEKEFMBMVPXCZ-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO CCCN(C)C(=O)CNc1cccc[nH+]1 ZINC000900426803 584308072 /nfs/dbraw/zinc/30/80/72/584308072.db2.gz MIBIOHPPHKDZMV-UHFFFAOYSA-N 1 2 207.277 1.362 20 0 BDADLO C/C=C\[C@@H](O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446448 584311377 /nfs/dbraw/zinc/31/13/77/584311377.db2.gz NLESZFOPMPNJJN-OTDNITJGSA-N 1 2 249.314 1.053 20 0 BDADLO c1[nH]cc(Cn2cc(C3CCC3)nn2)[nH+]1 ZINC000900537745 584323375 /nfs/dbraw/zinc/32/33/75/584323375.db2.gz SSZYUWLPECNAEK-UHFFFAOYSA-N 1 2 203.249 1.317 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](c2ccco2)C1 ZINC000900655437 584336284 /nfs/dbraw/zinc/33/62/84/584336284.db2.gz JVCKJKIIWDVAEJ-JTQLQIEISA-N 1 2 245.282 1.561 20 0 BDADLO C/C(=C(\F)C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000900665032 584338030 /nfs/dbraw/zinc/33/80/30/584338030.db2.gz HYCQMIYGJXSLQG-JXMROGBWSA-N 1 2 223.251 1.679 20 0 BDADLO CC(=C(F)C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000900665032 584338031 /nfs/dbraw/zinc/33/80/31/584338031.db2.gz HYCQMIYGJXSLQG-JXMROGBWSA-N 1 2 223.251 1.679 20 0 BDADLO CCC[C@H]1SCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900728110 584342131 /nfs/dbraw/zinc/34/21/31/584342131.db2.gz MSNSJBCATWBEAE-LLVKDONJSA-N 1 2 239.344 1.654 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCCCC1CC1 ZINC000900760708 584346458 /nfs/dbraw/zinc/34/64/58/584346458.db2.gz KMGAYSIHLSJHMY-UHFFFAOYSA-N 1 2 233.315 1.800 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)NCC1(O)CCC1 ZINC000900780762 584349994 /nfs/dbraw/zinc/34/99/94/584349994.db2.gz LZZZNLRVCCBVBP-UHFFFAOYSA-N 1 2 249.314 1.077 20 0 BDADLO CC(C)N(C(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000900801583 584355553 /nfs/dbraw/zinc/35/55/53/584355553.db2.gz RSOVUNGDWXIYND-UHFFFAOYSA-N 1 2 221.304 1.742 20 0 BDADLO Cc1nc(C)c(NC(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900985352 584372876 /nfs/dbraw/zinc/37/28/76/584372876.db2.gz WTBJFFMLWFUMPI-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO Cc1nc(C)c(NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000900985352 584372878 /nfs/dbraw/zinc/37/28/78/584372878.db2.gz WTBJFFMLWFUMPI-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO C[C@H]1CCN(C(=O)CCF)C[C@@H]1n1cc[nH+]c1 ZINC000901040421 584376822 /nfs/dbraw/zinc/37/68/22/584376822.db2.gz JZQRUEXBQJEKFX-QWRGUYRKSA-N 1 2 239.294 1.652 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901147756 584391162 /nfs/dbraw/zinc/39/11/62/584391162.db2.gz JPDXZPIAKKRTRC-RXLGXGPVSA-N 1 2 239.706 1.526 20 0 BDADLO CC(Cl)=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000901147756 584391164 /nfs/dbraw/zinc/39/11/64/584391164.db2.gz JPDXZPIAKKRTRC-RXLGXGPVSA-N 1 2 239.706 1.526 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000901266696 584418329 /nfs/dbraw/zinc/41/83/29/584418329.db2.gz RBMBKTNNAWJYOU-GFCCVEGCSA-N 1 2 245.326 1.752 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC=C(F)C1 ZINC000901305343 584420140 /nfs/dbraw/zinc/42/01/40/584420140.db2.gz RSHJDPNERDQSFG-UHFFFAOYSA-N 1 2 235.262 1.579 20 0 BDADLO Cc1ccsc1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000901318885 584429424 /nfs/dbraw/zinc/42/94/24/584429424.db2.gz QVUCXYIYVYGVGQ-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO Cc1ccsc1CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000901318885 584429426 /nfs/dbraw/zinc/42/94/26/584429426.db2.gz QVUCXYIYVYGVGQ-UHFFFAOYSA-N 1 2 249.339 1.681 20 0 BDADLO c1c([C@H]2CCCO2)noc1[C@@H]1COCC[NH2+]1 ZINC000901392883 584437253 /nfs/dbraw/zinc/43/72/53/584437253.db2.gz MUAJIFCWGATDDX-VHSXEESVSA-N 1 2 224.260 1.187 20 0 BDADLO CCO[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000901448252 584447421 /nfs/dbraw/zinc/44/74/21/584447421.db2.gz UQGQJMFSWUZENC-SSDOTTSWSA-N 1 2 238.316 1.838 20 0 BDADLO CCc1[nH+]ccn1Cc1[nH]nc2c1COCC2 ZINC000901528164 584459014 /nfs/dbraw/zinc/45/90/14/584459014.db2.gz KBLIGCYSJPACOP-UHFFFAOYSA-N 1 2 232.287 1.290 20 0 BDADLO O=C1NC(=O)C(=Cc2cn(C3CC3)c[nH+]2)S1 ZINC000901554825 584462532 /nfs/dbraw/zinc/46/25/32/584462532.db2.gz GCMDHGMMQIAZCM-BAQGIRSFSA-N 1 2 235.268 1.542 20 0 BDADLO O=C(OCCF)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000858943709 588986726 /nfs/dbraw/zinc/98/67/26/588986726.db2.gz RVQWUDDDGBVPHN-SNVBAGLBSA-N 1 2 241.266 1.626 20 0 BDADLO CCn1c[nH+]cc1C[NH2+][C@@](C)(CCF)C(=O)[O-] ZINC000901915499 584503419 /nfs/dbraw/zinc/50/34/19/584503419.db2.gz NQMINEMFPQRWGD-NSHDSACASA-N 1 2 243.282 1.196 20 0 BDADLO C[N@H+](CN1Cc2ccccc2C1=O)[C@@H]1CCOC1 ZINC000902121813 584528668 /nfs/dbraw/zinc/52/86/68/584528668.db2.gz PSFQOSBHBAMJAE-GFCCVEGCSA-N 1 2 246.310 1.321 20 0 BDADLO C[N@@H+](CN1Cc2ccccc2C1=O)[C@@H]1CCOC1 ZINC000902121813 584528670 /nfs/dbraw/zinc/52/86/70/584528670.db2.gz PSFQOSBHBAMJAE-GFCCVEGCSA-N 1 2 246.310 1.321 20 0 BDADLO CCc1ncc(CNc2cc(C)[nH+]cn2)cn1 ZINC000902195490 584536534 /nfs/dbraw/zinc/53/65/34/584536534.db2.gz LSWMPUZXFZPONH-UHFFFAOYSA-N 1 2 229.287 1.750 20 0 BDADLO Cc1ccc(=O)n(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000902239190 584543599 /nfs/dbraw/zinc/54/35/99/584543599.db2.gz LPLSUMQRLPHOBK-UHFFFAOYSA-N 1 2 244.298 1.061 20 0 BDADLO Cc1[nH]c(CNc2cc(C)cn(C)c2=O)[nH+]c1C ZINC000902259998 584544601 /nfs/dbraw/zinc/54/46/01/584544601.db2.gz MWQXDMKZZPLSDI-UHFFFAOYSA-N 1 2 246.314 1.646 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000902328514 584561922 /nfs/dbraw/zinc/56/19/22/584561922.db2.gz MBBVQBVNENMIFE-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1cnc(CNc2ccc(N(C)C)c[nH+]2)c1 ZINC000902337175 584565202 /nfs/dbraw/zinc/56/52/02/584565202.db2.gz PEHYTTKCISEUQI-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cccc(F)n2)c1 ZINC000902406810 584574340 /nfs/dbraw/zinc/57/43/40/584574340.db2.gz UGIUHQRSHLZFLT-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO COC[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)C(C)C ZINC000902384025 584577899 /nfs/dbraw/zinc/57/78/99/584577899.db2.gz XUGMOXNIMSSIPM-WDEREUQCSA-N 1 2 244.335 1.582 20 0 BDADLO CN(C)c1ccc(COCCc2cn[nH]n2)c[nH+]1 ZINC000902425227 584593880 /nfs/dbraw/zinc/59/38/80/584593880.db2.gz XDTAJDJICXLCAB-UHFFFAOYSA-N 1 2 247.302 1.025 20 0 BDADLO COCC[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859087323 588999252 /nfs/dbraw/zinc/99/92/52/588999252.db2.gz CMMUJCSJZBROGI-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO COCC[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859087323 588999253 /nfs/dbraw/zinc/99/92/53/588999253.db2.gz CMMUJCSJZBROGI-UHFFFAOYSA-N 1 2 217.700 1.152 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(=O)[nH]2)C1 ZINC000902568422 584633757 /nfs/dbraw/zinc/63/37/57/584633757.db2.gz CTNKLCKFAZCKEQ-SNVBAGLBSA-N 1 2 249.314 1.045 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccc(=O)[nH]2)C1 ZINC000902568422 584633754 /nfs/dbraw/zinc/63/37/54/584633754.db2.gz CTNKLCKFAZCKEQ-SNVBAGLBSA-N 1 2 249.314 1.045 20 0 BDADLO COC(=O)c1nn(Cc2c[nH+]ccc2C)cc1C ZINC000902601050 584640554 /nfs/dbraw/zinc/64/05/54/584640554.db2.gz KWILHEGLYSQXCG-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO CCn1c[nH+]c(CNc2ccn(CC)n2)c1 ZINC000902616867 584644179 /nfs/dbraw/zinc/64/41/79/584644179.db2.gz JONVCORNCNVMEM-UHFFFAOYSA-N 1 2 219.292 1.732 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)CN1CCSC1=O ZINC000902640016 584649017 /nfs/dbraw/zinc/64/90/17/584649017.db2.gz SVFYOMXQWXJVBI-RKDXNWHRSA-N 1 2 230.333 1.222 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)CN1CCSC1=O ZINC000902640016 584649018 /nfs/dbraw/zinc/64/90/18/584649018.db2.gz SVFYOMXQWXJVBI-RKDXNWHRSA-N 1 2 230.333 1.222 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1cccnc1=S ZINC000902640255 584649957 /nfs/dbraw/zinc/64/99/57/584649957.db2.gz WPYQBHWWKIMWFU-VHSXEESVSA-N 1 2 239.344 1.679 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1cccnc1=S ZINC000902640255 584649960 /nfs/dbraw/zinc/64/99/60/584649960.db2.gz WPYQBHWWKIMWFU-VHSXEESVSA-N 1 2 239.344 1.679 20 0 BDADLO Cn1c[nH+]c(CNc2cnn(C3CCC3)c2)c1 ZINC000902686515 584655960 /nfs/dbraw/zinc/65/59/60/584655960.db2.gz RTAPERKDPABAOQ-UHFFFAOYSA-N 1 2 231.303 1.954 20 0 BDADLO CCc1ncc(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000902738854 584663155 /nfs/dbraw/zinc/66/31/55/584663155.db2.gz OEARGCGAGAVWIC-VIFPVBQESA-N 1 2 239.275 1.414 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cn(C)nn1 ZINC000902882658 584688302 /nfs/dbraw/zinc/68/83/02/584688302.db2.gz YEUBDFRJZCWVTO-PSASIEDQSA-N 1 2 246.318 1.266 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cn(C)nn1 ZINC000902882658 584688304 /nfs/dbraw/zinc/68/83/04/584688304.db2.gz YEUBDFRJZCWVTO-PSASIEDQSA-N 1 2 246.318 1.266 20 0 BDADLO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H](F)C1 ZINC000902991566 584710241 /nfs/dbraw/zinc/71/02/41/584710241.db2.gz VYKGGPANLDMVAS-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO CS(=O)(=O)CCCC[N@H+]1CCC[C@H](F)C1 ZINC000902991566 584710242 /nfs/dbraw/zinc/71/02/42/584710242.db2.gz VYKGGPANLDMVAS-JTQLQIEISA-N 1 2 237.340 1.245 20 0 BDADLO O=C1[C@@H]([N@@H+]2CCC[C@H](F)C2)CCN1C1CCC1 ZINC000902993098 584711042 /nfs/dbraw/zinc/71/10/42/584711042.db2.gz QMNHOQMZNQGLNA-JQWIXIFHSA-N 1 2 240.322 1.574 20 0 BDADLO O=C1[C@@H]([N@H+]2CCC[C@H](F)C2)CCN1C1CCC1 ZINC000902993098 584711044 /nfs/dbraw/zinc/71/10/44/584711044.db2.gz QMNHOQMZNQGLNA-JQWIXIFHSA-N 1 2 240.322 1.574 20 0 BDADLO F[C@H]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000902994639 584712171 /nfs/dbraw/zinc/71/21/71/584712171.db2.gz GMCFTPSIPFWBAY-RWMBFGLXSA-N 1 2 242.338 1.284 20 0 BDADLO F[C@H]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000902994639 584712172 /nfs/dbraw/zinc/71/21/72/584712172.db2.gz GMCFTPSIPFWBAY-RWMBFGLXSA-N 1 2 242.338 1.284 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902994533 584712427 /nfs/dbraw/zinc/71/24/27/584712427.db2.gz DRSBPWYHTOWALJ-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902994533 584712428 /nfs/dbraw/zinc/71/24/28/584712428.db2.gz DRSBPWYHTOWALJ-LLVKDONJSA-N 1 2 228.311 1.289 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000902999249 584714685 /nfs/dbraw/zinc/71/46/85/584714685.db2.gz WIFFTSZCOGMDIZ-QWRGUYRKSA-N 1 2 230.327 1.676 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000902999249 584714686 /nfs/dbraw/zinc/71/46/86/584714686.db2.gz WIFFTSZCOGMDIZ-QWRGUYRKSA-N 1 2 230.327 1.676 20 0 BDADLO CCc1noc(C)c1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000903000886 584715294 /nfs/dbraw/zinc/71/52/94/584715294.db2.gz ODWYGBPJWLVWFI-MRVPVSSYSA-N 1 2 249.318 1.525 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000365 584715400 /nfs/dbraw/zinc/71/54/00/584715400.db2.gz FPUJEZBFKYCOSC-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000365 584715401 /nfs/dbraw/zinc/71/54/01/584715401.db2.gz FPUJEZBFKYCOSC-ZJUUUORDSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](F)C1 ZINC000903002180 584715872 /nfs/dbraw/zinc/71/58/72/584715872.db2.gz XKGNICPJMOLKFC-IUCAKERBSA-N 1 2 214.284 1.087 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](F)C1 ZINC000903002180 584715873 /nfs/dbraw/zinc/71/58/73/584715873.db2.gz XKGNICPJMOLKFC-IUCAKERBSA-N 1 2 214.284 1.087 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002181 584716235 /nfs/dbraw/zinc/71/62/35/584716235.db2.gz XKGNICPJMOLKFC-RKDXNWHRSA-N 1 2 214.284 1.087 20 0 BDADLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](F)C1 ZINC000903002181 584716236 /nfs/dbraw/zinc/71/62/36/584716236.db2.gz XKGNICPJMOLKFC-RKDXNWHRSA-N 1 2 214.284 1.087 20 0 BDADLO c1cnn(C2CC[NH+](Cc3cnns3)CC2)c1 ZINC000859133670 589007077 /nfs/dbraw/zinc/00/70/77/589007077.db2.gz DWDJADGYTHHCAJ-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cncs1)c1cnn(C)n1 ZINC000903310738 584748111 /nfs/dbraw/zinc/74/81/11/584748111.db2.gz KXMGXQAMTSYPQP-YUMQZZPRSA-N 1 2 237.332 1.683 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cncs1)c1cnn(C)n1 ZINC000903310733 584748370 /nfs/dbraw/zinc/74/83/70/584748370.db2.gz KXMGXQAMTSYPQP-HTQZYQBOSA-N 1 2 237.332 1.683 20 0 BDADLO COc1nn(C)cc1C[NH2+][C@@H](C)c1nccn1C ZINC000903339609 584752291 /nfs/dbraw/zinc/75/22/91/584752291.db2.gz ZQBIYXGKZVBXKB-VIFPVBQESA-N 1 2 249.318 1.013 20 0 BDADLO COc1nn(C)cc1CN[C@@H](C)c1[nH+]ccn1C ZINC000903339609 584752292 /nfs/dbraw/zinc/75/22/92/584752292.db2.gz ZQBIYXGKZVBXKB-VIFPVBQESA-N 1 2 249.318 1.013 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)cn2)n(C)n1 ZINC000903352419 584755155 /nfs/dbraw/zinc/75/51/55/584755155.db2.gz ULGUORONNWGVMX-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)c2ncnn21 ZINC000903443926 584768471 /nfs/dbraw/zinc/76/84/71/584768471.db2.gz LWMNOJRDQGCBQM-OUZXLXBKSA-N 1 2 212.684 1.626 20 0 BDADLO c1cc(CCCN2CC=CC[NH2+]2)ccn1 ZINC000903489101 584780371 /nfs/dbraw/zinc/78/03/71/584780371.db2.gz FCZGUMAGCQRTAT-UHFFFAOYSA-N 1 2 203.289 1.391 20 0 BDADLO O=C([O-])[C@]12C[C@H]1CCC[N@@H+]2CCCn1cc[nH+]c1 ZINC000903936560 584826474 /nfs/dbraw/zinc/82/64/74/584826474.db2.gz MLBQPFLLLOYQKK-YPMHNXCESA-N 1 2 249.314 1.212 20 0 BDADLO O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CCCn1cc[nH+]c1 ZINC000903936560 584826476 /nfs/dbraw/zinc/82/64/76/584826476.db2.gz MLBQPFLLLOYQKK-YPMHNXCESA-N 1 2 249.314 1.212 20 0 BDADLO Cc1cc(NCc2cnc(N)cn2)c[nH+]c1C ZINC000903948984 584830279 /nfs/dbraw/zinc/83/02/79/584830279.db2.gz XIIMMXJESHSPKN-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)[C@@H](C)[C@@H](C)O1 ZINC000904345904 584868095 /nfs/dbraw/zinc/86/80/95/584868095.db2.gz LLQLLUQVAJPWSE-KXUCPTDWSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)[C@@H](C)[C@@H](C)O1 ZINC000904345904 584868096 /nfs/dbraw/zinc/86/80/96/584868096.db2.gz LLQLLUQVAJPWSE-KXUCPTDWSA-N 1 2 236.319 1.057 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC1 ZINC000826737216 584895232 /nfs/dbraw/zinc/89/52/32/584895232.db2.gz SCCBNEWXHNZIQC-ZDUSSCGKSA-N 1 2 230.311 1.699 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC1 ZINC000826737216 584895234 /nfs/dbraw/zinc/89/52/34/584895234.db2.gz SCCBNEWXHNZIQC-ZDUSSCGKSA-N 1 2 230.311 1.699 20 0 BDADLO CC[C@@H](C[C@@H](C)O)NC(=O)CCc1[nH]cc[nH+]1 ZINC000831309831 584909554 /nfs/dbraw/zinc/90/95/54/584909554.db2.gz FCMUFYBTGLYSPO-ZJUUUORDSA-N 1 2 239.319 1.008 20 0 BDADLO Cn1c[nH+]cc1CNC(=S)NC1(C)CCC1 ZINC000840747973 584910201 /nfs/dbraw/zinc/91/02/01/584910201.db2.gz CPPTVMLVAQWRKO-UHFFFAOYSA-N 1 2 238.360 1.327 20 0 BDADLO CN(C)c1cc(CN(C)c2cnn(C)c2)cc[nH+]1 ZINC000754051458 584912566 /nfs/dbraw/zinc/91/25/66/584912566.db2.gz UMTLMMNPKIWLJD-UHFFFAOYSA-N 1 2 245.330 1.518 20 0 BDADLO CC(C)c1ocnc1C(=O)N1CC[NH+](C)CC1 ZINC000731891677 584930889 /nfs/dbraw/zinc/93/08/89/584930889.db2.gz BSGLUVLTRARGAO-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO CC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907680 584931029 /nfs/dbraw/zinc/93/10/29/584931029.db2.gz KIWZKJOFKSKINX-UHFFFAOYSA-N 1 2 218.212 1.080 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(C2CC2)cn1 ZINC000888277514 584935401 /nfs/dbraw/zinc/93/54/01/584935401.db2.gz LQWFVSXBMSWKMB-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO CCCSCC(=O)OCCc1c[nH+]cn1C ZINC000788046242 584938539 /nfs/dbraw/zinc/93/85/39/584938539.db2.gz FHMWXPNFDGRLII-UHFFFAOYSA-N 1 2 242.344 1.649 20 0 BDADLO CC/C=C(/C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733884539 584954056 /nfs/dbraw/zinc/95/40/56/584954056.db2.gz GGSTYMGYPWJUEO-WMZJFQQLSA-N 1 2 219.288 1.623 20 0 BDADLO CC(C)[NH+]1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000733891087 584954647 /nfs/dbraw/zinc/95/46/47/584954647.db2.gz LWNDYCKEOSOSHF-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1cc(N[C@@H](CO)C2CC2)nc(C2CC2)[nH+]1 ZINC000734833806 584969164 /nfs/dbraw/zinc/96/91/64/584969164.db2.gz PRKKZCQRRQOTHB-NSHDSACASA-N 1 2 233.315 1.845 20 0 BDADLO CCC/C=C/C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819765514 585005956 /nfs/dbraw/zinc/00/59/56/585005956.db2.gz CGXBOFPVBJMCSN-HQZHTGGTSA-N 1 2 212.318 1.950 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000840779548 585014823 /nfs/dbraw/zinc/01/48/23/585014823.db2.gz DFCBWQZWJDPDJQ-JBLDHEPKSA-N 1 2 243.347 1.731 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@](C)(O)CC ZINC000821308059 585015785 /nfs/dbraw/zinc/01/57/85/585015785.db2.gz JMSKGLWWBBDCJT-SKDRFNHKSA-N 1 2 239.319 1.241 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CCC=CO1 ZINC000775054530 585037052 /nfs/dbraw/zinc/03/70/52/585037052.db2.gz ODOOOMYHONULLC-GFCCVEGCSA-N 1 2 236.319 1.330 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@H]1CCC=CO1 ZINC000775054530 585037053 /nfs/dbraw/zinc/03/70/53/585037053.db2.gz ODOOOMYHONULLC-GFCCVEGCSA-N 1 2 236.319 1.330 20 0 BDADLO Nc1cc(COC(=O)/C=C/[C@@H]2CCOC2)cc[nH+]1 ZINC000838044169 585043719 /nfs/dbraw/zinc/04/37/19/585043719.db2.gz NDNKZFXVBCCXRZ-TXXBHVLJSA-N 1 2 248.282 1.300 20 0 BDADLO CCNC(=S)N[C@@H](C)c1[nH+]ccn1CC ZINC000840811568 585053029 /nfs/dbraw/zinc/05/30/29/585053029.db2.gz ZLZHIBVJXHRASK-QMMMGPOBSA-N 1 2 226.349 1.448 20 0 BDADLO CC(C)C1(NC(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000838632140 585064061 /nfs/dbraw/zinc/06/40/61/585064061.db2.gz CFWAFBOZEZUZAO-JTQLQIEISA-N 1 2 248.330 1.816 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838633007 585064083 /nfs/dbraw/zinc/06/40/83/585064083.db2.gz IQTHAXCAJZKCNL-MNOVXSKESA-N 1 2 248.330 1.768 20 0 BDADLO CCn1ncc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)n1 ZINC000838841198 585073944 /nfs/dbraw/zinc/07/39/44/585073944.db2.gz CSILBHZSOAJUTL-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)n1 ZINC000838841198 585073945 /nfs/dbraw/zinc/07/39/45/585073945.db2.gz CSILBHZSOAJUTL-UWVGGRQHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)n1 ZINC000838841203 585074094 /nfs/dbraw/zinc/07/40/94/585074094.db2.gz CSILBHZSOAJUTL-ZJUUUORDSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[N@H+]2CCS[C@@H](C)[C@H]2C)n1 ZINC000838841203 585074095 /nfs/dbraw/zinc/07/40/95/585074095.db2.gz CSILBHZSOAJUTL-ZJUUUORDSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(OC)cc2)n1 ZINC000838890548 585078436 /nfs/dbraw/zinc/07/84/36/585078436.db2.gz MJBAHXAADGVHAZ-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccccc2F)n1 ZINC000838893218 585078845 /nfs/dbraw/zinc/07/88/45/585078845.db2.gz GTULGPMAVIQMFS-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cccc(O)c2)n1 ZINC000838938120 585081797 /nfs/dbraw/zinc/08/17/97/585081797.db2.gz VMLRKDMRODBDKC-JTQLQIEISA-N 1 2 246.314 1.854 20 0 BDADLO COCCOC1C[NH+](Cc2cc(C)oc2C)C1 ZINC000838986550 585084802 /nfs/dbraw/zinc/08/48/02/585084802.db2.gz JBZLAWANSGZSPW-UHFFFAOYSA-N 1 2 239.315 1.744 20 0 BDADLO CCn1ncc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000839011507 585087347 /nfs/dbraw/zinc/08/73/47/585087347.db2.gz MBQJHBGVKSEKRP-LLVKDONJSA-N 1 2 246.318 1.358 20 0 BDADLO c1nc(C2CC2)ncc1C[NH+]1CC2(CC2)C1 ZINC000839121108 585092840 /nfs/dbraw/zinc/09/28/40/585092840.db2.gz QHXJTFUKLIZEGQ-UHFFFAOYSA-N 1 2 215.300 1.950 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccc3c2OCO3)C1 ZINC000839133746 585093969 /nfs/dbraw/zinc/09/39/69/585093969.db2.gz ZDXDNQOICXHNMG-UHFFFAOYSA-N 1 2 249.310 1.618 20 0 BDADLO CCn1ncc(C[NH+]2CC(CC)(CC)C2)n1 ZINC000839132982 585094180 /nfs/dbraw/zinc/09/41/80/585094180.db2.gz UAPAIUZQCGZINX-UHFFFAOYSA-N 1 2 222.336 1.920 20 0 BDADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccoc2)[nH]1 ZINC000839171121 585096452 /nfs/dbraw/zinc/09/64/52/585096452.db2.gz VOSHDIFBDMXTNB-UHFFFAOYSA-N 1 2 234.303 1.985 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)OCC(C)C ZINC000839198008 585098813 /nfs/dbraw/zinc/09/88/13/585098813.db2.gz JNWBZUAGIYKOQC-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO CC/C=C(\C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000740727253 585105877 /nfs/dbraw/zinc/10/58/77/585105877.db2.gz JFFGFOXECQOMKM-UMQYOCJBSA-N 1 2 235.331 1.992 20 0 BDADLO CCN(c1cc(-n2cc[nH+]c2)ncn1)C(C)C ZINC000740866647 585107758 /nfs/dbraw/zinc/10/77/58/585107758.db2.gz XOJDZXLUXBYHFR-UHFFFAOYSA-N 1 2 231.303 1.897 20 0 BDADLO Cc1ccc([C@H](O)CNc2cc(C)[nH+]cn2)o1 ZINC000741242194 585111516 /nfs/dbraw/zinc/11/15/16/585111516.db2.gz GCOUZPJCNFIJDG-SNVBAGLBSA-N 1 2 233.271 1.832 20 0 BDADLO CCOC(=O)[C@H]1C[N@H+](CC=C(C)C)CCO1 ZINC000741252431 585111731 /nfs/dbraw/zinc/11/17/31/585111731.db2.gz HHBZMEDIKIZURQ-LLVKDONJSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC000741252431 585111732 /nfs/dbraw/zinc/11/17/32/585111732.db2.gz HHBZMEDIKIZURQ-LLVKDONJSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@@H]1C[N@H+](CC=C(C)C)CCO1 ZINC000741252433 585111782 /nfs/dbraw/zinc/11/17/82/585111782.db2.gz HHBZMEDIKIZURQ-NSHDSACASA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC000741252433 585111783 /nfs/dbraw/zinc/11/17/83/585111783.db2.gz HHBZMEDIKIZURQ-NSHDSACASA-N 1 2 227.304 1.217 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nn1cnc2ccccc21 ZINC000742243751 585123969 /nfs/dbraw/zinc/12/39/69/585123969.db2.gz UYLKFRODVCHZCB-UHFFFAOYSA-N 1 2 241.254 1.003 20 0 BDADLO Cc1nnc([C@@H](C)O[NH+]=C(N)COC(C)C)o1 ZINC000742356802 585124716 /nfs/dbraw/zinc/12/47/16/585124716.db2.gz ILZGUMNBDITZDP-SSDOTTSWSA-N 1 2 242.279 1.362 20 0 BDADLO O=C1N[C@@H](c2c[nH]c[nH+]2)Nc2cc(F)ccc21 ZINC000742443192 585126287 /nfs/dbraw/zinc/12/62/87/585126287.db2.gz WGQXSBSGTVKXKS-JTQLQIEISA-N 1 2 232.218 1.403 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CC23CCC3)[C@@H](C)CO1 ZINC000743348371 585135522 /nfs/dbraw/zinc/13/55/22/585135522.db2.gz LQZVSOCAJUPZPA-WDEREUQCSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CC23CCC3)[C@@H](C)CO1 ZINC000743348371 585135523 /nfs/dbraw/zinc/13/55/23/585135523.db2.gz LQZVSOCAJUPZPA-WDEREUQCSA-N 1 2 238.331 1.208 20 0 BDADLO CCOCC[N@H+](CC)Cn1cc[nH]c1=S ZINC000743363685 585135979 /nfs/dbraw/zinc/13/59/79/585135979.db2.gz WYCMNXYGSASWFX-UHFFFAOYSA-N 1 2 229.349 1.488 20 0 BDADLO CCOCC[N@@H+](CC)Cn1cc[nH]c1=S ZINC000743363685 585135980 /nfs/dbraw/zinc/13/59/80/585135980.db2.gz WYCMNXYGSASWFX-UHFFFAOYSA-N 1 2 229.349 1.488 20 0 BDADLO CC(C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082675 585156040 /nfs/dbraw/zinc/15/60/40/585156040.db2.gz QKLWBASMTPCBMG-SNVBAGLBSA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082675 585156041 /nfs/dbraw/zinc/15/60/41/585156041.db2.gz QKLWBASMTPCBMG-SNVBAGLBSA-N 1 2 227.304 1.239 20 0 BDADLO CCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745088374 585156507 /nfs/dbraw/zinc/15/65/07/585156507.db2.gz NIBOXOVSTJVPEV-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745088374 585156508 /nfs/dbraw/zinc/15/65/08/585156508.db2.gz NIBOXOVSTJVPEV-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccno1 ZINC000745087639 585156552 /nfs/dbraw/zinc/15/65/52/585156552.db2.gz KOSXTWSRPPVFMH-NSHDSACASA-N 1 2 238.287 1.592 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccno1 ZINC000745087639 585156553 /nfs/dbraw/zinc/15/65/53/585156553.db2.gz KOSXTWSRPPVFMH-NSHDSACASA-N 1 2 238.287 1.592 20 0 BDADLO CCCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745089222 585156713 /nfs/dbraw/zinc/15/67/13/585156713.db2.gz PUHBSMIDBBIENS-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCCC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745089222 585156714 /nfs/dbraw/zinc/15/67/14/585156714.db2.gz PUHBSMIDBBIENS-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745084126 585156740 /nfs/dbraw/zinc/15/67/40/585156740.db2.gz HCSDVCXEXGZTAR-UWVGGRQHSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745084126 585156741 /nfs/dbraw/zinc/15/67/41/585156741.db2.gz HCSDVCXEXGZTAR-UWVGGRQHSA-N 1 2 227.304 1.382 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000746273021 585166582 /nfs/dbraw/zinc/16/65/82/585166582.db2.gz CMTIYESNZOMAMP-SNVBAGLBSA-N 1 2 223.320 1.682 20 0 BDADLO O=c1sccn1C[NH+]1CCC(C(F)F)CC1 ZINC000746627435 585171357 /nfs/dbraw/zinc/17/13/57/585171357.db2.gz YYTYNRICQAPUHP-UHFFFAOYSA-N 1 2 248.298 1.844 20 0 BDADLO CC(C)COCCC(=O)OCc1c[nH+]cn1C ZINC000747781963 585184405 /nfs/dbraw/zinc/18/44/05/585184405.db2.gz MYWRYYHTWMGFHJ-UHFFFAOYSA-N 1 2 240.303 1.526 20 0 BDADLO O=C(CSC(F)(F)F)NCc1c[nH+]c[nH]1 ZINC000748321027 585190742 /nfs/dbraw/zinc/19/07/42/585190742.db2.gz BEJVDJXNIMALSL-UHFFFAOYSA-N 1 2 239.222 1.279 20 0 BDADLO O=C(CSC(F)(F)F)NCc1c[nH]c[nH+]1 ZINC000748321027 585190743 /nfs/dbraw/zinc/19/07/43/585190743.db2.gz BEJVDJXNIMALSL-UHFFFAOYSA-N 1 2 239.222 1.279 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000748321788 585190800 /nfs/dbraw/zinc/19/08/00/585190800.db2.gz UGCKWKAVRVIIJQ-SECBINFHSA-N 1 2 233.271 1.731 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000748321788 585190801 /nfs/dbraw/zinc/19/08/01/585190801.db2.gz UGCKWKAVRVIIJQ-SECBINFHSA-N 1 2 233.271 1.731 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H]1c1ccccc1 ZINC000749113876 585199746 /nfs/dbraw/zinc/19/97/46/585199746.db2.gz JCZBMUGGITVAPI-RYUDHWBXSA-N 1 2 217.268 1.749 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H]1c1ccccc1 ZINC000749113876 585199747 /nfs/dbraw/zinc/19/97/47/585199747.db2.gz JCZBMUGGITVAPI-RYUDHWBXSA-N 1 2 217.268 1.749 20 0 BDADLO CC[C@H](C)NC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000749763104 585205545 /nfs/dbraw/zinc/20/55/45/585205545.db2.gz XCEWFIVIXDINAE-UWVGGRQHSA-N 1 2 240.376 1.534 20 0 BDADLO COCC[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749948343 585208939 /nfs/dbraw/zinc/20/89/39/585208939.db2.gz XYMNDTIAQNACNN-NWDGAFQWSA-N 1 2 240.347 1.313 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749948343 585208940 /nfs/dbraw/zinc/20/89/40/585208940.db2.gz XYMNDTIAQNACNN-NWDGAFQWSA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)c1nc(N(C)C[C@@H](O)C2CC2)cc[nH+]1 ZINC000751110752 585224158 /nfs/dbraw/zinc/22/41/58/585224158.db2.gz JIZWXHZQYNUAPI-LLVKDONJSA-N 1 2 235.331 1.807 20 0 BDADLO CS/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000751456906 585230403 /nfs/dbraw/zinc/23/04/03/585230403.db2.gz CZDYQJXXKXIEON-BAQGIRSFSA-N 1 2 225.317 1.266 20 0 BDADLO CS/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000751456908 585230550 /nfs/dbraw/zinc/23/05/50/585230550.db2.gz CZDYQJXXKXIEON-FPYGCLRLSA-N 1 2 225.317 1.266 20 0 BDADLO CSC=CC(=O)Nc1cc[nH+]cc1C ZINC000751580568 585233689 /nfs/dbraw/zinc/23/36/89/585233689.db2.gz VTVHFGCCMFBZRO-XQRVVYSFSA-N 1 2 208.286 1.627 20 0 BDADLO CO[C@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000751946569 585238642 /nfs/dbraw/zinc/23/86/42/585238642.db2.gz YEVBCFAJBCAGPT-VIFPVBQESA-N 1 2 215.684 1.215 20 0 BDADLO CO[C@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000751946569 585238643 /nfs/dbraw/zinc/23/86/43/585238643.db2.gz YEVBCFAJBCAGPT-VIFPVBQESA-N 1 2 215.684 1.215 20 0 BDADLO Cc1noc(C2CC2)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000752422826 585245874 /nfs/dbraw/zinc/24/58/74/585245874.db2.gz GEEZFLQRJKYEFP-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO Cc1noc(C2CC2)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000752422826 585245875 /nfs/dbraw/zinc/24/58/75/585245875.db2.gz GEEZFLQRJKYEFP-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC1(C)C ZINC000752511815 585247316 /nfs/dbraw/zinc/24/73/16/585247316.db2.gz CHESBLFKQZQNQS-SECBINFHSA-N 1 2 208.261 1.509 20 0 BDADLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)c(C)c1 ZINC000752855130 585250713 /nfs/dbraw/zinc/25/07/13/585250713.db2.gz JUWSFEDSWNHMTP-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)c(C)c1 ZINC000752855130 585250714 /nfs/dbraw/zinc/25/07/14/585250714.db2.gz JUWSFEDSWNHMTP-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO CCn1ccnc1SCc1c[nH+]cn1C ZINC000753059778 585252822 /nfs/dbraw/zinc/25/28/22/585252822.db2.gz GKQFGQLFHBIINC-UHFFFAOYSA-N 1 2 222.317 1.929 20 0 BDADLO COC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753732281 585267519 /nfs/dbraw/zinc/26/75/19/585267519.db2.gz BRZYNHGVJMNYHH-VIFPVBQESA-N 1 2 221.260 1.016 20 0 BDADLO CCC(=O)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000753746500 585267698 /nfs/dbraw/zinc/26/76/98/585267698.db2.gz LIVXNFNKZDOTBE-UHFFFAOYSA-N 1 2 207.277 1.137 20 0 BDADLO CCC(=O)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000753746500 585267699 /nfs/dbraw/zinc/26/76/99/585267699.db2.gz LIVXNFNKZDOTBE-UHFFFAOYSA-N 1 2 207.277 1.137 20 0 BDADLO CCC(=O)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000753746500 585267700 /nfs/dbraw/zinc/26/77/00/585267700.db2.gz LIVXNFNKZDOTBE-UHFFFAOYSA-N 1 2 207.277 1.137 20 0 BDADLO CCC(=O)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000753746500 585267701 /nfs/dbraw/zinc/26/77/01/585267701.db2.gz LIVXNFNKZDOTBE-UHFFFAOYSA-N 1 2 207.277 1.137 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cccnc1Cl ZINC000754296446 585282161 /nfs/dbraw/zinc/28/21/61/585282161.db2.gz RPQWCDXNOJSHLZ-SSDOTTSWSA-N 1 2 243.694 1.768 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1=CCCCO1 ZINC000754356846 585282924 /nfs/dbraw/zinc/28/29/24/585282924.db2.gz ZFZYOPKRPGJSQZ-UHFFFAOYSA-N 1 2 221.260 1.029 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1(C(F)(F)F)CC1 ZINC000754687603 585289316 /nfs/dbraw/zinc/28/93/16/585289316.db2.gz UBMDGDZFGHCKOD-UHFFFAOYSA-N 1 2 248.204 1.806 20 0 BDADLO CCc1c(C(=O)OCc2c[nH+]cn2C)cnn1C ZINC000754686505 585289510 /nfs/dbraw/zinc/28/95/10/585289510.db2.gz HYKCNRROBCSHSK-UHFFFAOYSA-N 1 2 248.286 1.073 20 0 BDADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CCF)[C@H]2C1 ZINC000755053639 585293752 /nfs/dbraw/zinc/29/37/52/585293752.db2.gz NKPDOXDHZATUQR-OUAUKWLOSA-N 1 2 217.284 1.224 20 0 BDADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCF)[C@H]2C1 ZINC000755053639 585293753 /nfs/dbraw/zinc/29/37/53/585293753.db2.gz NKPDOXDHZATUQR-OUAUKWLOSA-N 1 2 217.284 1.224 20 0 BDADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCF)[C@@H]2C1 ZINC000755053637 585294035 /nfs/dbraw/zinc/29/40/35/585294035.db2.gz NKPDOXDHZATUQR-MXWKQRLJSA-N 1 2 217.284 1.224 20 0 BDADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCF)[C@@H]2C1 ZINC000755053637 585294036 /nfs/dbraw/zinc/29/40/36/585294036.db2.gz NKPDOXDHZATUQR-MXWKQRLJSA-N 1 2 217.284 1.224 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000755070529 585294219 /nfs/dbraw/zinc/29/42/19/585294219.db2.gz BLBLYXXWLRKXEG-RYUDHWBXSA-N 1 2 242.363 1.859 20 0 BDADLO CCC1(C(=O)Nc2cccc3[nH+]ccn32)COC1 ZINC000755346520 585298037 /nfs/dbraw/zinc/29/80/37/585298037.db2.gz CTRRHZOFYKZOGJ-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C=C1CCC1 ZINC000755345991 585298060 /nfs/dbraw/zinc/29/80/60/585298060.db2.gz PVJYASWQLUBRNL-UHFFFAOYSA-N 1 2 205.261 1.478 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N2CCCC2)C1 ZINC000755844862 585308652 /nfs/dbraw/zinc/30/86/52/585308652.db2.gz AWHLRMMUEQRIKH-LLVKDONJSA-N 1 2 248.330 1.425 20 0 BDADLO CC[C@H](C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000756414923 585319605 /nfs/dbraw/zinc/31/96/05/585319605.db2.gz CMHHLWHOAOSNJO-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@H](C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000756414923 585319606 /nfs/dbraw/zinc/31/96/06/585319606.db2.gz CMHHLWHOAOSNJO-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000839535478 585329450 /nfs/dbraw/zinc/32/94/50/585329450.db2.gz YANBSEHKCRQJGR-GJMOJQLCSA-N 1 2 236.237 1.148 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H]2C[C@H]21 ZINC000839535478 585329451 /nfs/dbraw/zinc/32/94/51/585329451.db2.gz YANBSEHKCRQJGR-GJMOJQLCSA-N 1 2 236.237 1.148 20 0 BDADLO Cc1cnc(=S)n(C[N@@H+]2CCCOCC2)c1 ZINC000758304941 585353301 /nfs/dbraw/zinc/35/33/01/585353301.db2.gz DGHWZCVXSLVDCA-UHFFFAOYSA-N 1 2 239.344 1.601 20 0 BDADLO Cc1cnc(=S)n(C[N@H+]2CCCOCC2)c1 ZINC000758304941 585353302 /nfs/dbraw/zinc/35/33/02/585353302.db2.gz DGHWZCVXSLVDCA-UHFFFAOYSA-N 1 2 239.344 1.601 20 0 BDADLO CC[C@H]1CCC[N@H+](Cn2ncn(C)c2=O)CC1 ZINC000758331795 585354067 /nfs/dbraw/zinc/35/40/67/585354067.db2.gz HSXWTLVIGPQFMP-NSHDSACASA-N 1 2 238.335 1.051 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cn2ncn(C)c2=O)CC1 ZINC000758331795 585354068 /nfs/dbraw/zinc/35/40/68/585354068.db2.gz HSXWTLVIGPQFMP-NSHDSACASA-N 1 2 238.335 1.051 20 0 BDADLO CC(C)OCC[S@](=O)Cc1c[nH+]cn1C ZINC000758413377 585355969 /nfs/dbraw/zinc/35/59/69/585355969.db2.gz GUURKJNDMLRCIX-HNNXBMFYSA-N 1 2 230.333 1.094 20 0 BDADLO COC1C[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000759050299 585363912 /nfs/dbraw/zinc/36/39/12/585363912.db2.gz QAVCWQYJGAVUPA-LBPRGKRZSA-N 1 2 241.718 1.704 20 0 BDADLO O=C(NOCC(F)F)c1ccc2[nH+]ccn2c1 ZINC000759334588 585368322 /nfs/dbraw/zinc/36/83/22/585368322.db2.gz CCGLHSNDSOQUMA-UHFFFAOYSA-N 1 2 241.197 1.261 20 0 BDADLO COCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000759813495 585380735 /nfs/dbraw/zinc/38/07/35/585380735.db2.gz CCAYWWZCNJCZMD-UHFFFAOYSA-N 1 2 238.287 1.176 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CC1(C)COC1)C(C)(C)C ZINC000760917240 585401659 /nfs/dbraw/zinc/40/16/59/585401659.db2.gz RXHGSORWWYGNBM-SNVBAGLBSA-N 1 2 243.347 1.590 20 0 BDADLO COCC[N@H+](CCF)CCC(F)(F)F ZINC000760946669 585402163 /nfs/dbraw/zinc/40/21/63/585402163.db2.gz ZODDUYZLEZBFOJ-UHFFFAOYSA-N 1 2 217.206 1.857 20 0 BDADLO COCC[N@@H+](CCF)CCC(F)(F)F ZINC000760946669 585402164 /nfs/dbraw/zinc/40/21/64/585402164.db2.gz ZODDUYZLEZBFOJ-UHFFFAOYSA-N 1 2 217.206 1.857 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055669 585404472 /nfs/dbraw/zinc/40/44/72/585404472.db2.gz VTVNHAWPSJANLN-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055669 585404473 /nfs/dbraw/zinc/40/44/73/585404473.db2.gz VTVNHAWPSJANLN-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO COCC1([N@H+](C)Cc2ncc(Cl)n2C)CC1 ZINC000761101438 585409616 /nfs/dbraw/zinc/40/96/16/585409616.db2.gz MPTXEICTZVGGPW-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO COCC1([N@@H+](C)Cc2ncc(Cl)n2C)CC1 ZINC000761101438 585409617 /nfs/dbraw/zinc/40/96/17/585409617.db2.gz MPTXEICTZVGGPW-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@]1(C)CC ZINC000761108872 585409652 /nfs/dbraw/zinc/40/96/52/585409652.db2.gz FMOAMPBXGSNTHE-YPMHNXCESA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@]1(C)CC ZINC000761108872 585409653 /nfs/dbraw/zinc/40/96/53/585409653.db2.gz FMOAMPBXGSNTHE-YPMHNXCESA-N 1 2 243.347 1.829 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)nn1 ZINC000761713004 585418093 /nfs/dbraw/zinc/41/80/93/585418093.db2.gz MPKLITNCFILGKT-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)nn1 ZINC000761713004 585418094 /nfs/dbraw/zinc/41/80/94/585418094.db2.gz MPKLITNCFILGKT-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO C[C@H]1CCC(=CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000762804687 585437623 /nfs/dbraw/zinc/43/76/23/585437623.db2.gz HUYCTSGXXAOMDT-HZAKCSEPSA-N 1 2 232.283 1.894 20 0 BDADLO c1nc(C[NH+]2CCC3(CC2)OCCO3)co1 ZINC000762955419 585439827 /nfs/dbraw/zinc/43/98/27/585439827.db2.gz USGPRPXHGULNJC-UHFFFAOYSA-N 1 2 224.260 1.014 20 0 BDADLO CC(C)CCC(=O)OCCn1cc[nH+]c1 ZINC000763113700 585443297 /nfs/dbraw/zinc/44/32/97/585443297.db2.gz YJWVVLWLUUQHOL-UHFFFAOYSA-N 1 2 210.277 1.863 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000763287942 585445856 /nfs/dbraw/zinc/44/58/56/585445856.db2.gz PUFWPIZNRPCBML-ZJUUUORDSA-N 1 2 208.261 1.472 20 0 BDADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C/C(Cl)=C/Cl ZINC000763567053 585451087 /nfs/dbraw/zinc/45/10/87/585451087.db2.gz RALSCQZSJYMCDN-IUYFFOMESA-N 1 2 249.141 1.658 20 0 BDADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C/C(Cl)=C/Cl ZINC000763567053 585451088 /nfs/dbraw/zinc/45/10/88/585451088.db2.gz RALSCQZSJYMCDN-IUYFFOMESA-N 1 2 249.141 1.658 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000763716493 585453354 /nfs/dbraw/zinc/45/33/54/585453354.db2.gz WGZHULBBZFHFDN-PWSUYJOCSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000763716493 585453355 /nfs/dbraw/zinc/45/33/55/585453355.db2.gz WGZHULBBZFHFDN-PWSUYJOCSA-N 1 2 247.298 1.279 20 0 BDADLO CON(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000765000959 585479010 /nfs/dbraw/zinc/47/90/10/585479010.db2.gz KPWATIJDRFMHSO-UHFFFAOYSA-N 1 2 205.261 1.636 20 0 BDADLO CC(C)C[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000765529651 585489130 /nfs/dbraw/zinc/48/91/30/585489130.db2.gz NJNXCIRTGKSRHH-GFCCVEGCSA-N 1 2 243.347 1.544 20 0 BDADLO FCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766255520 585499435 /nfs/dbraw/zinc/49/94/35/585499435.db2.gz FGSBVRSDXLSPTA-JTQLQIEISA-N 1 2 238.310 1.831 20 0 BDADLO FCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766255520 585499436 /nfs/dbraw/zinc/49/94/36/585499436.db2.gz FGSBVRSDXLSPTA-JTQLQIEISA-N 1 2 238.310 1.831 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)Cn2cnnc2)c1 ZINC000766630535 585504461 /nfs/dbraw/zinc/50/44/61/585504461.db2.gz JGJGGOBMHRYEHP-UHFFFAOYSA-N 1 2 234.278 1.815 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)Cn2cnnc2)c1 ZINC000766630535 585504462 /nfs/dbraw/zinc/50/44/62/585504462.db2.gz JGJGGOBMHRYEHP-UHFFFAOYSA-N 1 2 234.278 1.815 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)Cc1cscn1 ZINC000767361842 585517733 /nfs/dbraw/zinc/51/77/33/585517733.db2.gz CUUJJNHNGSNETE-UHFFFAOYSA-N 1 2 224.329 1.944 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)Cc1cscn1 ZINC000767361842 585517734 /nfs/dbraw/zinc/51/77/34/585517734.db2.gz CUUJJNHNGSNETE-UHFFFAOYSA-N 1 2 224.329 1.944 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)CC(=O)OC(C)(C)C ZINC000767382388 585518694 /nfs/dbraw/zinc/51/86/94/585518694.db2.gz IRMJPKQRWMKTKF-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)CC(=O)OC(C)(C)C ZINC000767382388 585518695 /nfs/dbraw/zinc/51/86/95/585518695.db2.gz IRMJPKQRWMKTKF-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@](O)(C1CC[NH+](CCF)CC1)C(F)(F)F ZINC000767904113 585528233 /nfs/dbraw/zinc/52/82/33/585528233.db2.gz WQHNSLYGSRXSHX-VIFPVBQESA-N 1 2 243.244 1.981 20 0 BDADLO OCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768241251 585534574 /nfs/dbraw/zinc/53/45/74/585534574.db2.gz QGOIKECKDLCUMY-UHFFFAOYSA-N 1 2 236.315 1.756 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859237431 589023172 /nfs/dbraw/zinc/02/31/72/589023172.db2.gz UJOQEPZJFITUDR-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO O[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000768409534 585538125 /nfs/dbraw/zinc/53/81/25/585538125.db2.gz OOGZZQQCGKIMBM-JTQLQIEISA-N 1 2 208.261 1.119 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000768409534 585538126 /nfs/dbraw/zinc/53/81/26/585538126.db2.gz OOGZZQQCGKIMBM-JTQLQIEISA-N 1 2 208.261 1.119 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1cn[nH]c1)CC(C)C ZINC000768761674 585542925 /nfs/dbraw/zinc/54/29/25/585542925.db2.gz IGSNVEMTVGPMHK-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO CCOC(=O)C[N@H+](Cc1cn[nH]c1)CC(C)C ZINC000768761674 585542926 /nfs/dbraw/zinc/54/29/26/585542926.db2.gz IGSNVEMTVGPMHK-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO Cc1ncccc1C(=O)OCc1c[nH+]cn1C ZINC000768797920 585543836 /nfs/dbraw/zinc/54/38/36/585543836.db2.gz KHJGKWYVGGZXES-UHFFFAOYSA-N 1 2 231.255 1.481 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859237431 589023174 /nfs/dbraw/zinc/02/31/74/589023174.db2.gz UJOQEPZJFITUDR-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1cc(NC(=O)C(C)(C)F)c(C)c[nH+]1 ZINC000769026352 585547622 /nfs/dbraw/zinc/54/76/22/585547622.db2.gz UMJPRSHBBWVOPG-UHFFFAOYSA-N 1 2 210.252 1.807 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(F)(F)F ZINC000769145229 585549940 /nfs/dbraw/zinc/54/99/40/585549940.db2.gz MRSKCIFLQATILP-NKWVEPMBSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(F)(F)F ZINC000769145229 585549941 /nfs/dbraw/zinc/54/99/41/585549941.db2.gz MRSKCIFLQATILP-NKWVEPMBSA-N 1 2 224.226 1.100 20 0 BDADLO O=C1C[N@H+](Cc2ccoc2)[C@@H]2CCCC[C@H]2N1 ZINC000769191648 585550853 /nfs/dbraw/zinc/55/08/53/585550853.db2.gz AQOYYKKDTGFWIT-VXGBXAGGSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccoc2)[C@@H]2CCCC[C@H]2N1 ZINC000769191648 585550854 /nfs/dbraw/zinc/55/08/54/585550854.db2.gz AQOYYKKDTGFWIT-VXGBXAGGSA-N 1 2 234.299 1.523 20 0 BDADLO CC[C@@H](NC(=O)C1=COCCC1)c1[nH]cc[nH+]1 ZINC000769669386 585561557 /nfs/dbraw/zinc/56/15/57/585561557.db2.gz FVFVXFUWGQMBPS-SNVBAGLBSA-N 1 2 235.287 1.671 20 0 BDADLO O=c1sccn1C[N@@H+]1CCCC2(CC2)C1 ZINC000769799023 585563931 /nfs/dbraw/zinc/56/39/31/585563931.db2.gz FBUVJHGSIHPBRD-UHFFFAOYSA-N 1 2 224.329 1.743 20 0 BDADLO O=c1sccn1C[N@H+]1CCCC2(CC2)C1 ZINC000769799023 585563932 /nfs/dbraw/zinc/56/39/32/585563932.db2.gz FBUVJHGSIHPBRD-UHFFFAOYSA-N 1 2 224.329 1.743 20 0 BDADLO O=C(Nc1nncs1)c1cccc2[nH+]ccn21 ZINC000770057976 585570465 /nfs/dbraw/zinc/57/04/65/585570465.db2.gz OCEMTKYQDQTZRJ-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO COc1ncccc1C(=O)OCc1c[nH+]cn1C ZINC000770144393 585571215 /nfs/dbraw/zinc/57/12/15/585571215.db2.gz IYBZGQJCXKARFF-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO O=C(NCC1CCC1)c1cccc2[nH+]ccn21 ZINC000770402115 585573602 /nfs/dbraw/zinc/57/36/02/585573602.db2.gz OLXQSSYXWKLWNZ-UHFFFAOYSA-N 1 2 229.283 1.864 20 0 BDADLO CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770397383 585573628 /nfs/dbraw/zinc/57/36/28/585573628.db2.gz CBRFCLRMSQMXOX-UHFFFAOYSA-N 1 2 203.245 1.426 20 0 BDADLO CO[C@@H](C(=O)OCc1c[nH+]cn1C)C(C)C ZINC000770885625 585583591 /nfs/dbraw/zinc/58/35/91/585583591.db2.gz YVPLGHBBVHXJRP-SNVBAGLBSA-N 1 2 226.276 1.134 20 0 BDADLO CC[C@H](OC)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770928629 585584480 /nfs/dbraw/zinc/58/44/80/585584480.db2.gz ZIQVNGUKXLOWPR-NSHDSACASA-N 1 2 248.282 1.803 20 0 BDADLO COC(C)(C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770926299 585584598 /nfs/dbraw/zinc/58/45/98/585584598.db2.gz SCXRCWPZLTXUSM-UHFFFAOYSA-N 1 2 248.282 1.803 20 0 BDADLO C[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)OC(C)(C)C ZINC000771800336 585600456 /nfs/dbraw/zinc/60/04/56/585600456.db2.gz DPAWJYSBOWKATP-MWLCHTKSSA-N 1 2 243.347 1.467 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccnc(F)c1 ZINC000771942682 585605256 /nfs/dbraw/zinc/60/52/56/585605256.db2.gz ZNOPVFHXBCVXFG-UHFFFAOYSA-N 1 2 235.218 1.274 20 0 BDADLO COC[C@H](C)CC(=O)OCCn1cc[nH+]c1 ZINC000771992287 585606346 /nfs/dbraw/zinc/60/63/46/585606346.db2.gz GKGXPMYOMCEVAS-SNVBAGLBSA-N 1 2 226.276 1.099 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000772001696 585606539 /nfs/dbraw/zinc/60/65/39/585606539.db2.gz NXRCYGOKSSCLFI-UHFFFAOYSA-N 1 2 230.214 1.472 20 0 BDADLO O=C(CCc1ccoc1)OCCn1cc[nH+]c1 ZINC000771999598 585606651 /nfs/dbraw/zinc/60/66/51/585606651.db2.gz DTVWGSGXQWFHTM-UHFFFAOYSA-N 1 2 234.255 1.652 20 0 BDADLO CC1=C(C(=O)OCCn2cc[nH+]c2)CCCO1 ZINC000772029739 585607063 /nfs/dbraw/zinc/60/70/63/585607063.db2.gz BSAIKGJDUFYXEO-UHFFFAOYSA-N 1 2 236.271 1.511 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCC[C@@H]2O)c(C)[nH+]1 ZINC000772160406 585609192 /nfs/dbraw/zinc/60/91/92/585609192.db2.gz OQCCYAXYKQOSDG-STQMWFEESA-N 1 2 249.310 1.903 20 0 BDADLO Cc1ccc(COC(=O)C2CC(=O)C2)c(C)[nH+]1 ZINC000772230843 585610454 /nfs/dbraw/zinc/61/04/54/585610454.db2.gz GWSZFALBLCBDJW-UHFFFAOYSA-N 1 2 233.267 1.721 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccnc(F)c2)n1 ZINC000859249352 589023887 /nfs/dbraw/zinc/02/38/87/589023887.db2.gz ZOYFPIDVRWAPFL-SSDOTTSWSA-N 1 2 236.250 1.763 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(F)CCCC1 ZINC000773236833 585634156 /nfs/dbraw/zinc/63/41/56/585634156.db2.gz SAGZUSCKTJRTLH-UHFFFAOYSA-N 1 2 225.267 1.617 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccnc(F)c2)n1 ZINC000859249353 589024018 /nfs/dbraw/zinc/02/40/18/589024018.db2.gz ZOYFPIDVRWAPFL-ZETCQYMHSA-N 1 2 236.250 1.763 20 0 BDADLO C[C@H](CC(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000773831763 585644540 /nfs/dbraw/zinc/64/45/40/585644540.db2.gz ZLCAUPOWEALXLQ-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1cnccn1 ZINC000774037652 585648868 /nfs/dbraw/zinc/64/88/68/585648868.db2.gz OKNHIRBSPHVTPI-JQWIXIFHSA-N 1 2 249.314 1.565 20 0 BDADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1cnccn1 ZINC000774037652 585648869 /nfs/dbraw/zinc/64/88/69/585648869.db2.gz OKNHIRBSPHVTPI-JQWIXIFHSA-N 1 2 249.314 1.565 20 0 BDADLO COC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000774165356 585652374 /nfs/dbraw/zinc/65/23/74/585652374.db2.gz MRKQAWVJJXUZRA-UHFFFAOYSA-N 1 2 231.255 1.728 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccnnc1 ZINC000805517486 585662184 /nfs/dbraw/zinc/66/21/84/585662184.db2.gz XUIRDYTZTHZNDT-UHFFFAOYSA-N 1 2 245.238 1.237 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H]1CCC=CO1 ZINC000774905331 585668948 /nfs/dbraw/zinc/66/89/48/585668948.db2.gz NDXRDMMFNANWPP-JBBSTSQOSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H]1CCC=CO1 ZINC000774905331 585668949 /nfs/dbraw/zinc/66/89/49/585668949.db2.gz NDXRDMMFNANWPP-JBBSTSQOSA-N 1 2 243.372 1.520 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000775604996 585681330 /nfs/dbraw/zinc/68/13/30/585681330.db2.gz UNYXHBHAGHRAAB-SNVBAGLBSA-N 1 2 249.314 1.436 20 0 BDADLO O=C(C1CC[NH+](CCF)CC1)C(F)(F)F ZINC000775854094 585686425 /nfs/dbraw/zinc/68/64/25/585686425.db2.gz IQFZZRIWNHWHRG-UHFFFAOYSA-N 1 2 227.201 1.799 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccoc1 ZINC000775988401 585688402 /nfs/dbraw/zinc/68/84/02/585688402.db2.gz XNYXUYWNCBUKBB-WDEREUQCSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccoc1 ZINC000775988401 585688403 /nfs/dbraw/zinc/68/84/03/585688403.db2.gz XNYXUYWNCBUKBB-WDEREUQCSA-N 1 2 208.305 1.804 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C2CCC2)C1 ZINC000776305451 585695093 /nfs/dbraw/zinc/69/50/93/585695093.db2.gz BKUFWTFYTVRCQI-UHFFFAOYSA-N 1 2 227.304 1.050 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCCCCC1 ZINC000776317433 585695519 /nfs/dbraw/zinc/69/55/19/585695519.db2.gz FMBWQGGVUPUYIQ-UHFFFAOYSA-N 1 2 235.331 1.755 20 0 BDADLO COC1(C)CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000776604833 585702358 /nfs/dbraw/zinc/70/23/58/585702358.db2.gz HZPAQCMTEDMRFS-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO c1nncn1C[N@@H+]1CCOc2ccccc2C1 ZINC000776757538 585703742 /nfs/dbraw/zinc/70/37/42/585703742.db2.gz TZNGTWXUTHLJAM-UHFFFAOYSA-N 1 2 230.271 1.130 20 0 BDADLO c1nncn1C[N@H+]1CCOc2ccccc2C1 ZINC000776757538 585703743 /nfs/dbraw/zinc/70/37/43/585703743.db2.gz TZNGTWXUTHLJAM-UHFFFAOYSA-N 1 2 230.271 1.130 20 0 BDADLO CC(C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776776609 585705431 /nfs/dbraw/zinc/70/54/31/585705431.db2.gz JNSISEOAQHHTOP-UHFFFAOYSA-N 1 2 217.272 1.815 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)cc(=O)[nH]1 ZINC000777137822 585708964 /nfs/dbraw/zinc/70/89/64/585708964.db2.gz SQEINGRJFUSCQQ-UHFFFAOYSA-N 1 2 247.254 1.149 20 0 BDADLO CC(C)(C)C(=O)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777456148 585712602 /nfs/dbraw/zinc/71/26/02/585712602.db2.gz YABFZAUCPCLEMB-VIFPVBQESA-N 1 2 249.314 1.688 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CC2OCCO2)no1 ZINC000777539167 585714541 /nfs/dbraw/zinc/71/45/41/585714541.db2.gz CTOGKCZSWOIXER-LLVKDONJSA-N 1 2 238.287 1.493 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CC2OCCO2)no1 ZINC000777539167 585714542 /nfs/dbraw/zinc/71/45/42/585714542.db2.gz CTOGKCZSWOIXER-LLVKDONJSA-N 1 2 238.287 1.493 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CC1OCCO1)CC2 ZINC000777618471 585717072 /nfs/dbraw/zinc/71/70/72/585717072.db2.gz YPSOIKKXFVWKLO-UHFFFAOYSA-N 1 2 235.283 1.123 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CC1OCCO1)CC2 ZINC000777618471 585717073 /nfs/dbraw/zinc/71/70/73/585717073.db2.gz YPSOIKKXFVWKLO-UHFFFAOYSA-N 1 2 235.283 1.123 20 0 BDADLO FC1(F)CC2(C[NH+](CC3OCCO3)C2)C1 ZINC000777713713 585719044 /nfs/dbraw/zinc/71/90/44/585719044.db2.gz SVSPDSCRKPEMOQ-UHFFFAOYSA-N 1 2 219.231 1.090 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC=CO1 ZINC000777838996 585721122 /nfs/dbraw/zinc/72/11/22/585721122.db2.gz QULCXHZNUAKGME-NSHDSACASA-N 1 2 235.287 1.082 20 0 BDADLO COCCC[C@H](C)C(=O)NC1=[NH+]CCS1 ZINC000777930617 585724021 /nfs/dbraw/zinc/72/40/21/585724021.db2.gz MEGHIVHGVHBONQ-QMMMGPOBSA-N 1 2 230.333 1.268 20 0 BDADLO C[C@H]1CC[N@H+](CN2CC(C)(C)OC2=O)C[C@@H]1F ZINC000777964222 585724682 /nfs/dbraw/zinc/72/46/82/585724682.db2.gz NAIKNRRQIRBGAO-UWVGGRQHSA-N 1 2 244.310 1.855 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CC(C)(C)OC2=O)C[C@@H]1F ZINC000777964222 585724683 /nfs/dbraw/zinc/72/46/83/585724683.db2.gz NAIKNRRQIRBGAO-UWVGGRQHSA-N 1 2 244.310 1.855 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C)[C@H](F)C2)C1 ZINC000777966540 585724785 /nfs/dbraw/zinc/72/47/85/585724785.db2.gz NEOWLXNSFKJNIO-OUAUKWLOSA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C)[C@H](F)C2)C1 ZINC000777966540 585724786 /nfs/dbraw/zinc/72/47/86/585724786.db2.gz NEOWLXNSFKJNIO-OUAUKWLOSA-N 1 2 228.311 1.492 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OC[C@@H]1CCCCO1 ZINC000778122722 585725892 /nfs/dbraw/zinc/72/58/92/585725892.db2.gz TVZGDAQMWMTTII-RYUDHWBXSA-N 1 2 241.331 1.583 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OC[C@@H]1CCCCO1 ZINC000778122722 585725893 /nfs/dbraw/zinc/72/58/93/585725893.db2.gz TVZGDAQMWMTTII-RYUDHWBXSA-N 1 2 241.331 1.583 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1cn[nH]c1 ZINC000778140696 585726094 /nfs/dbraw/zinc/72/60/94/585726094.db2.gz DRUJDQWXZWNFBN-MRVPVSSYSA-N 1 2 249.318 1.941 20 0 BDADLO COC(=O)/C(C)=C/CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000778228832 585728318 /nfs/dbraw/zinc/72/83/18/585728318.db2.gz PEFFMRZLBCIZLP-IGLBNKAOSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778228832 585728319 /nfs/dbraw/zinc/72/83/19/585728319.db2.gz PEFFMRZLBCIZLP-IGLBNKAOSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778228832 585728320 /nfs/dbraw/zinc/72/83/20/585728320.db2.gz PEFFMRZLBCIZLP-IGLBNKAOSA-N 1 2 249.314 1.666 20 0 BDADLO CC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000778262523 585730236 /nfs/dbraw/zinc/73/02/36/585730236.db2.gz KNXPSUFXUJSDFR-LBPRGKRZSA-N 1 2 240.347 1.154 20 0 BDADLO CC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000778262523 585730237 /nfs/dbraw/zinc/73/02/37/585730237.db2.gz KNXPSUFXUJSDFR-LBPRGKRZSA-N 1 2 240.347 1.154 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H](F)Cc1ccccc1 ZINC000778288129 585730511 /nfs/dbraw/zinc/73/05/11/585730511.db2.gz UMDKCOKXDFBUAD-GFCCVEGCSA-N 1 2 247.273 1.607 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H](F)Cc1ccccc1 ZINC000778288129 585730512 /nfs/dbraw/zinc/73/05/12/585730512.db2.gz UMDKCOKXDFBUAD-GFCCVEGCSA-N 1 2 247.273 1.607 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C/C=C\Cl ZINC000778418047 585734523 /nfs/dbraw/zinc/73/45/23/585734523.db2.gz QWILVXJRRXWWKI-OMMCCPJFSA-N 1 2 230.739 1.682 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C/C=C\Cl ZINC000778418047 585734524 /nfs/dbraw/zinc/73/45/24/585734524.db2.gz QWILVXJRRXWWKI-OMMCCPJFSA-N 1 2 230.739 1.682 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccc(F)nc1 ZINC000779153387 585745778 /nfs/dbraw/zinc/74/57/78/585745778.db2.gz HTQUFLHOBZCCGL-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccc(F)nc1 ZINC000779153387 585745779 /nfs/dbraw/zinc/74/57/79/585745779.db2.gz HTQUFLHOBZCCGL-UHFFFAOYSA-N 1 2 224.279 1.832 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000779421690 585754548 /nfs/dbraw/zinc/75/45/48/585754548.db2.gz JWNUBZJTZLCOMA-JTQLQIEISA-N 1 2 236.315 1.698 20 0 BDADLO O=C1CCCN1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781148240 585791568 /nfs/dbraw/zinc/79/15/68/585791568.db2.gz BEXFNMNNHFRLJY-VIFPVBQESA-N 1 2 248.273 1.270 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781148240 585791569 /nfs/dbraw/zinc/79/15/69/585791569.db2.gz BEXFNMNNHFRLJY-VIFPVBQESA-N 1 2 248.273 1.270 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000781617593 585800794 /nfs/dbraw/zinc/80/07/94/585800794.db2.gz BRMHURWSPBJNQY-VHSXEESVSA-N 1 2 221.304 1.267 20 0 BDADLO C[C@H](CO)SCc1cc[nH+]c(N(C)C)c1 ZINC000782113374 585807963 /nfs/dbraw/zinc/80/79/63/585807963.db2.gz ZMWCURWUYAOUAW-SECBINFHSA-N 1 2 226.345 1.762 20 0 BDADLO CN(C)c1cc(C[N@@H+]2CCOCC2(C)C)ccn1 ZINC000782173954 585809438 /nfs/dbraw/zinc/80/94/38/585809438.db2.gz HSENMJZEQUGIDA-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CN(C)c1cc(C[N@H+]2CCOCC2(C)C)ccn1 ZINC000782173954 585809439 /nfs/dbraw/zinc/80/94/39/585809439.db2.gz HSENMJZEQUGIDA-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO O=C1SCCN1C[N@@H+]1CCOCC2(CC2)C1 ZINC000782297921 585814368 /nfs/dbraw/zinc/81/43/68/585814368.db2.gz WGOOTDPDXPLOMV-UHFFFAOYSA-N 1 2 242.344 1.225 20 0 BDADLO O=C1SCCN1C[N@H+]1CCOCC2(CC2)C1 ZINC000782297921 585814369 /nfs/dbraw/zinc/81/43/69/585814369.db2.gz WGOOTDPDXPLOMV-UHFFFAOYSA-N 1 2 242.344 1.225 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cs1 ZINC000782610100 585821917 /nfs/dbraw/zinc/82/19/17/585821917.db2.gz UIILAGWCIJVXIH-KOLCDFICSA-N 1 2 224.329 1.266 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cs1 ZINC000782610100 585821918 /nfs/dbraw/zinc/82/19/18/585821918.db2.gz UIILAGWCIJVXIH-KOLCDFICSA-N 1 2 224.329 1.266 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCC=CO1)CC2 ZINC000782819025 585824665 /nfs/dbraw/zinc/82/46/65/585824665.db2.gz LOXKLFMDWSSDSX-LLVKDONJSA-N 1 2 247.298 1.226 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000783048578 585827063 /nfs/dbraw/zinc/82/70/63/585827063.db2.gz XCQXFLICPDLNRS-QWRGUYRKSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)n[nH]1 ZINC000783084526 585827681 /nfs/dbraw/zinc/82/76/81/585827681.db2.gz IEMYQZRUFLXQAG-UHFFFAOYSA-N 1 2 234.259 1.162 20 0 BDADLO CC[C@H](OC)C(=O)OCCCn1cc[nH+]c1 ZINC000783266800 585832910 /nfs/dbraw/zinc/83/29/10/585832910.db2.gz WRPYVNUTUKFEMX-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO C[C@H](O)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000783629450 585838843 /nfs/dbraw/zinc/83/88/43/585838843.db2.gz NVEBBNKVAHILTO-UWVGGRQHSA-N 1 2 247.298 1.224 20 0 BDADLO CC1(C)C[N@H+](Cc2ccoc2)CCN1CCO ZINC000783713748 585841007 /nfs/dbraw/zinc/84/10/07/585841007.db2.gz HBUIVTHTRGTUHW-UHFFFAOYSA-N 1 2 238.331 1.168 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccoc2)CCN1CCO ZINC000783713748 585841008 /nfs/dbraw/zinc/84/10/08/585841008.db2.gz HBUIVTHTRGTUHW-UHFFFAOYSA-N 1 2 238.331 1.168 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1C[C@@H]1C1CC1 ZINC000784055462 585848006 /nfs/dbraw/zinc/84/80/06/585848006.db2.gz RJCSKDUTXONKAT-NEPJUHHUSA-N 1 2 234.299 1.863 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCc1[nH+]ccn1C ZINC000784396899 585858617 /nfs/dbraw/zinc/85/86/17/585858617.db2.gz VXYJGQWUSBVVNM-SECBINFHSA-N 1 2 213.256 1.030 20 0 BDADLO CC(C)[C@@H](F)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000784398261 585858644 /nfs/dbraw/zinc/85/86/44/585858644.db2.gz QFHOEDGJWUIDHM-SECBINFHSA-N 1 2 213.256 1.362 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000784446983 585860133 /nfs/dbraw/zinc/86/01/33/585860133.db2.gz VDGFTDOPRJUXOS-KCJUWKMLSA-N 1 2 239.294 1.377 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000784446983 585860134 /nfs/dbraw/zinc/86/01/34/585860134.db2.gz VDGFTDOPRJUXOS-KCJUWKMLSA-N 1 2 239.294 1.377 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000784524853 585861988 /nfs/dbraw/zinc/86/19/88/585861988.db2.gz HIAIZUVIUTWDNT-MWLCHTKSSA-N 1 2 239.294 1.308 20 0 BDADLO COC1(C(=O)OCCCn2cc[nH+]c2)CCC1 ZINC000784628605 585865087 /nfs/dbraw/zinc/86/50/87/585865087.db2.gz RDOSHGCRQIOWSE-UHFFFAOYSA-N 1 2 238.287 1.386 20 0 BDADLO CO[C@@H](C)CCC(=O)OCCCn1cc[nH+]c1 ZINC000784646190 585865215 /nfs/dbraw/zinc/86/52/15/585865215.db2.gz LJEXTLMUWNXVBF-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO CC[C@]1(C)C[N@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000785494271 585874698 /nfs/dbraw/zinc/87/46/98/585874698.db2.gz DUBRQIZMSDUNGX-TUOYRWMMSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@]1(C)C[N@@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000785494271 585874699 /nfs/dbraw/zinc/87/46/99/585874699.db2.gz DUBRQIZMSDUNGX-TUOYRWMMSA-N 1 2 241.331 1.607 20 0 BDADLO NC(Cc1ccccc1)=[NH+]OCCC1(O)CC1 ZINC000785518814 585875112 /nfs/dbraw/zinc/87/51/12/585875112.db2.gz VBBVHBGBSWIOJF-UHFFFAOYSA-N 1 2 234.299 1.643 20 0 BDADLO O=C(NOC1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000787218513 585903330 /nfs/dbraw/zinc/90/33/30/585903330.db2.gz MKQXFZNXCQXIMF-JTQLQIEISA-N 1 2 249.314 1.436 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000787308047 585906315 /nfs/dbraw/zinc/90/63/15/585906315.db2.gz NXVLBNZTVLXRNC-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCC=CO1 ZINC000787769355 585915381 /nfs/dbraw/zinc/91/53/81/585915381.db2.gz DTFCZAVJLXMMSD-SNVBAGLBSA-N 1 2 207.277 1.534 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCC=CO1 ZINC000787769355 585915382 /nfs/dbraw/zinc/91/53/82/585915382.db2.gz DTFCZAVJLXMMSD-SNVBAGLBSA-N 1 2 207.277 1.534 20 0 BDADLO O=C(Nc1cnns1)c1cccc2[nH+]ccn21 ZINC000787907289 585917219 /nfs/dbraw/zinc/91/72/19/585917219.db2.gz BJSMHNPKFWTSOO-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO NC(=[NH+]OCC[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000789607804 585945124 /nfs/dbraw/zinc/94/51/24/585945124.db2.gz IDVLBIULHUASQJ-UWVGGRQHSA-N 1 2 228.292 1.233 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC1(F)CC1 ZINC000789596396 585945150 /nfs/dbraw/zinc/94/51/50/585945150.db2.gz KVUHPPLXJCEFRN-JTQLQIEISA-N 1 2 229.295 1.906 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC1(F)CC1 ZINC000789596396 585945151 /nfs/dbraw/zinc/94/51/51/585945151.db2.gz KVUHPPLXJCEFRN-JTQLQIEISA-N 1 2 229.295 1.906 20 0 BDADLO C/C=C(\CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000789753742 585949329 /nfs/dbraw/zinc/94/93/29/585949329.db2.gz FUSRQVZCRCTBKL-RUDMXATFSA-N 1 2 207.277 1.724 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1=CCCC1 ZINC000789771770 585949588 /nfs/dbraw/zinc/94/95/88/585949588.db2.gz KMVPRKMDXFZLQM-UHFFFAOYSA-N 1 2 220.272 1.616 20 0 BDADLO CC[C@@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000789791220 585949648 /nfs/dbraw/zinc/94/96/48/585949648.db2.gz GKDFCPOVPIVFHI-SNVBAGLBSA-N 1 2 224.304 1.942 20 0 BDADLO CSCCC(=O)OCCc1c[nH+]cn1C ZINC000789775424 585949805 /nfs/dbraw/zinc/94/98/05/585949805.db2.gz CYCIFRSYRRPLME-UHFFFAOYSA-N 1 2 228.317 1.259 20 0 BDADLO Cc1cc(C)c(NC(=O)c2cnn(C)n2)c(C)[nH+]1 ZINC000790168557 585959157 /nfs/dbraw/zinc/95/91/57/585959157.db2.gz AMYAJPORQMCYKK-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000790315803 585963737 /nfs/dbraw/zinc/96/37/37/585963737.db2.gz VGSMAYGBCSTXCF-ZJUUUORDSA-N 1 2 206.293 1.282 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000790315803 585963738 /nfs/dbraw/zinc/96/37/38/585963738.db2.gz VGSMAYGBCSTXCF-ZJUUUORDSA-N 1 2 206.293 1.282 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000790338655 585964018 /nfs/dbraw/zinc/96/40/18/585964018.db2.gz NOJKXDVOPHFILE-IUCAKERBSA-N 1 2 247.302 1.626 20 0 BDADLO CC(C)OCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791708436 585986716 /nfs/dbraw/zinc/98/67/16/585986716.db2.gz XFNOPSLISVFZPO-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO COCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791797354 585988228 /nfs/dbraw/zinc/98/82/28/585988228.db2.gz LDISPPLEELPGIZ-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO CC[C@@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000791817313 585988660 /nfs/dbraw/zinc/98/86/60/585988660.db2.gz BSPITGSSDSDICE-SECBINFHSA-N 1 2 210.277 1.900 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1cccs1 ZINC000810756267 585995139 /nfs/dbraw/zinc/99/51/39/585995139.db2.gz AKFRJVDSOYHHIK-SNAWJCMRSA-N 1 2 247.323 1.811 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1C/C(Cl)=C/Cl ZINC000792372589 586000394 /nfs/dbraw/zinc/00/03/94/586000394.db2.gz XNHXGAOSGHERNL-OJKBXMANSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1C/C(Cl)=C/Cl ZINC000792372589 586000395 /nfs/dbraw/zinc/00/03/95/586000395.db2.gz XNHXGAOSGHERNL-OJKBXMANSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@@H]1C[NH+](CCC(=O)C2CC2)C[C@@H](C)S1=O ZINC000792395592 586000469 /nfs/dbraw/zinc/00/04/69/586000469.db2.gz RWVCKKZVWCBSPJ-NXEZZACHSA-N 1 2 243.372 1.197 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CN1CCCC1=O ZINC000792725409 586004604 /nfs/dbraw/zinc/00/46/04/586004604.db2.gz IIQXHDSWNKUWLS-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CN1CCCC1=O ZINC000792725409 586004605 /nfs/dbraw/zinc/00/46/05/586004605.db2.gz IIQXHDSWNKUWLS-JTQLQIEISA-N 1 2 226.320 1.066 20 0 BDADLO CC(C)[C@H](F)C(=O)OCCc1c[nH+]cn1C ZINC000793236724 586014632 /nfs/dbraw/zinc/01/46/32/586014632.db2.gz DDHJCYWTCAUEGR-JTQLQIEISA-N 1 2 228.267 1.500 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793237127 586014765 /nfs/dbraw/zinc/01/47/65/586014765.db2.gz FESXIVZEXPOCMA-RYUDHWBXSA-N 1 2 236.315 1.798 20 0 BDADLO CO[C@@H](C)CCC(=O)OCCc1c[nH+]cn1C ZINC000793252573 586014939 /nfs/dbraw/zinc/01/49/39/586014939.db2.gz OHIHTXWGIKKYPV-JTQLQIEISA-N 1 2 240.303 1.321 20 0 BDADLO C[C@@H](CC(=O)OCCc1c[nH+]cn1C)C1CC1 ZINC000793259817 586015303 /nfs/dbraw/zinc/01/53/03/586015303.db2.gz WWDKXSABMGMFIS-JTQLQIEISA-N 1 2 236.315 1.942 20 0 BDADLO CC[C@](C)([NH2+]CCC1OCCCO1)C(=O)OC ZINC000794463430 586040252 /nfs/dbraw/zinc/04/02/52/586040252.db2.gz SRYUMCYMSBAURI-LBPRGKRZSA-N 1 2 245.319 1.071 20 0 BDADLO NC(Cc1ccccc1)=[NH+]O[C@@H]1CCOC1 ZINC000794521316 586041502 /nfs/dbraw/zinc/04/15/02/586041502.db2.gz TYOWMRHAKOYBNB-LLVKDONJSA-N 1 2 220.272 1.516 20 0 BDADLO NC(=[NH+]OC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000794521727 586041940 /nfs/dbraw/zinc/04/19/40/586041940.db2.gz YFEMEVPVYXYROT-NSHDSACASA-N 1 2 238.262 1.851 20 0 BDADLO CCOC1CC(CO[NH+]=C(N)COC(C)C)C1 ZINC000795206547 586071534 /nfs/dbraw/zinc/07/15/34/586071534.db2.gz PUHYEWAYPQWKOE-UHFFFAOYSA-N 1 2 244.335 1.725 20 0 BDADLO CCOC1CC(CO[NH+]=C(N)[C@H]2CCCO2)C1 ZINC000795228747 586072614 /nfs/dbraw/zinc/07/26/14/586072614.db2.gz AZLYAPWNQUYQPL-VQXHTEKXSA-N 1 2 242.319 1.479 20 0 BDADLO CC(C)OCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795651014 586090059 /nfs/dbraw/zinc/09/00/59/586090059.db2.gz IQDOSTDEYKQVCI-SNVBAGLBSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795651014 586090060 /nfs/dbraw/zinc/09/00/60/586090060.db2.gz IQDOSTDEYKQVCI-SNVBAGLBSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)C(=O)CC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795676557 586090643 /nfs/dbraw/zinc/09/06/43/586090643.db2.gz NJHATKIDFJMSPI-SNVBAGLBSA-N 1 2 241.331 1.628 20 0 BDADLO CC(C)C(=O)CC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795676557 586090644 /nfs/dbraw/zinc/09/06/44/586090644.db2.gz NJHATKIDFJMSPI-SNVBAGLBSA-N 1 2 241.331 1.628 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)nc1 ZINC000795710287 586091337 /nfs/dbraw/zinc/09/13/37/586091337.db2.gz NKDIBPXYRGJVFO-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)nc1 ZINC000795710287 586091338 /nfs/dbraw/zinc/09/13/38/586091338.db2.gz NKDIBPXYRGJVFO-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cn1cc[nH]c1=S ZINC000795752020 586091911 /nfs/dbraw/zinc/09/19/11/586091911.db2.gz RQJABZWPFOCDCV-QMMMGPOBSA-N 1 2 215.322 1.096 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cn1cc[nH]c1=S ZINC000795752020 586091912 /nfs/dbraw/zinc/09/19/12/586091912.db2.gz RQJABZWPFOCDCV-QMMMGPOBSA-N 1 2 215.322 1.096 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000796077325 586097433 /nfs/dbraw/zinc/09/74/33/586097433.db2.gz NMIUGASZUOHUQA-MORRKMRCSA-N 1 2 231.723 1.620 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000796077325 586097434 /nfs/dbraw/zinc/09/74/34/586097434.db2.gz NMIUGASZUOHUQA-MORRKMRCSA-N 1 2 231.723 1.620 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCOC1 ZINC000796199223 586098697 /nfs/dbraw/zinc/09/86/97/586098697.db2.gz BFLSDFHORUSYQX-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCOC1 ZINC000796199223 586098698 /nfs/dbraw/zinc/09/86/98/586098698.db2.gz BFLSDFHORUSYQX-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCOC1 ZINC000796203416 586098776 /nfs/dbraw/zinc/09/87/76/586098776.db2.gz NPQURIJGFNMBAR-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCOC1 ZINC000796203416 586098777 /nfs/dbraw/zinc/09/87/77/586098777.db2.gz NPQURIJGFNMBAR-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@H]1CCCOC1 ZINC000796203418 586098803 /nfs/dbraw/zinc/09/88/03/586098803.db2.gz NPQURIJGFNMBAR-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCOC1 ZINC000796203418 586098804 /nfs/dbraw/zinc/09/88/04/586098804.db2.gz NPQURIJGFNMBAR-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@]1(CCC)CCOC1 ZINC000796440346 586103111 /nfs/dbraw/zinc/10/31/11/586103111.db2.gz FHZBLAORQALGNI-DGCLKSJQSA-N 1 2 243.347 1.877 20 0 BDADLO CON(CC[N@@H+]1CCO[C@H](C)C1)CC(C)(C)C ZINC000796470002 586104657 /nfs/dbraw/zinc/10/46/57/586104657.db2.gz AYQMHKDAHAHQIW-GFCCVEGCSA-N 1 2 244.379 1.617 20 0 BDADLO CON(CC[N@H+]1CCO[C@H](C)C1)CC(C)(C)C ZINC000796470002 586104658 /nfs/dbraw/zinc/10/46/58/586104658.db2.gz AYQMHKDAHAHQIW-GFCCVEGCSA-N 1 2 244.379 1.617 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@]2(CCCOC2)O1 ZINC000796606783 586108149 /nfs/dbraw/zinc/10/81/49/586108149.db2.gz JOIGMEHKGAEEHW-MNOVXSKESA-N 1 2 217.284 1.226 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@]2(CCCOC2)O1 ZINC000796606783 586108150 /nfs/dbraw/zinc/10/81/50/586108150.db2.gz JOIGMEHKGAEEHW-MNOVXSKESA-N 1 2 217.284 1.226 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000796608489 586108170 /nfs/dbraw/zinc/10/81/70/586108170.db2.gz AKVOVFGINVMEIC-NKWVEPMBSA-N 1 2 240.130 1.674 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000796608489 586108171 /nfs/dbraw/zinc/10/81/71/586108171.db2.gz AKVOVFGINVMEIC-NKWVEPMBSA-N 1 2 240.130 1.674 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000796642114 586108998 /nfs/dbraw/zinc/10/89/98/586108998.db2.gz YJIQWWODXUWWKR-VIFPVBQESA-N 1 2 241.335 1.834 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000796642114 586108999 /nfs/dbraw/zinc/10/89/99/586108999.db2.gz YJIQWWODXUWWKR-VIFPVBQESA-N 1 2 241.335 1.834 20 0 BDADLO Cc1ccc(NC(=O)NCCF)c(N(C)C)[nH+]1 ZINC000798017410 586135713 /nfs/dbraw/zinc/13/57/13/586135713.db2.gz NTWQXOXIAIOLKB-UHFFFAOYSA-N 1 2 240.282 1.547 20 0 BDADLO CCOCC1(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000799558718 586184929 /nfs/dbraw/zinc/18/49/29/586184929.db2.gz NDYSWVVTOHFHBB-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO CC(C)c1ncc(C[N@H+](C)Cn2cnnc2)cn1 ZINC000799579582 586185475 /nfs/dbraw/zinc/18/54/75/586185475.db2.gz ZWDZEZXEBBMMBX-UHFFFAOYSA-N 1 2 246.318 1.281 20 0 BDADLO CC(C)c1ncc(C[N@@H+](C)Cn2cnnc2)cn1 ZINC000799579582 586185477 /nfs/dbraw/zinc/18/54/77/586185477.db2.gz ZWDZEZXEBBMMBX-UHFFFAOYSA-N 1 2 246.318 1.281 20 0 BDADLO FC(F)[C@H]1CCCC[N@@H+]1CCC1OCCO1 ZINC000800445924 586219909 /nfs/dbraw/zinc/21/99/09/586219909.db2.gz FKFPOHPZGGRAJJ-SECBINFHSA-N 1 2 235.274 1.869 20 0 BDADLO FC(F)[C@H]1CCCC[N@H+]1CCC1OCCO1 ZINC000800445924 586219911 /nfs/dbraw/zinc/21/99/11/586219911.db2.gz FKFPOHPZGGRAJJ-SECBINFHSA-N 1 2 235.274 1.869 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(C)on1 ZINC000800496220 586223868 /nfs/dbraw/zinc/22/38/68/586223868.db2.gz UEUMRFNZDCHZEB-SNVBAGLBSA-N 1 2 239.319 1.502 20 0 BDADLO Cc1nc(N2CCO[C@@H](C(F)F)C2)cc[nH+]1 ZINC000800877124 586235422 /nfs/dbraw/zinc/23/54/22/586235422.db2.gz ZQJRWEHIWNPQML-MRVPVSSYSA-N 1 2 229.230 1.255 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCF)O1 ZINC000801599887 586266160 /nfs/dbraw/zinc/26/61/60/586266160.db2.gz GVFUKMZMHVTUMA-ZDCRXTMVSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCF)O1 ZINC000801599887 586266161 /nfs/dbraw/zinc/26/61/61/586266161.db2.gz GVFUKMZMHVTUMA-ZDCRXTMVSA-N 1 2 245.294 1.139 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1C[C@@H]1C1CC1 ZINC000802233235 586297565 /nfs/dbraw/zinc/29/75/65/586297565.db2.gz WDUCLBXTYLYMRE-UTUOFQBUSA-N 1 2 241.306 1.620 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1C[C@@H]1C1CC1 ZINC000802233235 586297568 /nfs/dbraw/zinc/29/75/68/586297568.db2.gz WDUCLBXTYLYMRE-UTUOFQBUSA-N 1 2 241.306 1.620 20 0 BDADLO CC[C@H](C)OCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802232909 586298319 /nfs/dbraw/zinc/29/83/19/586298319.db2.gz LTUQVNZLUPOCGR-WDEREUQCSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@H](C)OCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802232909 586298320 /nfs/dbraw/zinc/29/83/20/586298320.db2.gz LTUQVNZLUPOCGR-WDEREUQCSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@H](SC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802241290 586299251 /nfs/dbraw/zinc/29/92/51/586299251.db2.gz ZGMGCGBFPVWXCG-VHSXEESVSA-N 1 2 249.351 1.715 20 0 BDADLO CC[C@@H](SC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241290 586299252 /nfs/dbraw/zinc/29/92/52/586299252.db2.gz ZGMGCGBFPVWXCG-VHSXEESVSA-N 1 2 249.351 1.715 20 0 BDADLO FC(F)[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000802653991 586308162 /nfs/dbraw/zinc/30/81/62/586308162.db2.gz BVSJPBBMIPGGNA-UWVGGRQHSA-N 1 2 233.258 1.645 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000802653991 586308164 /nfs/dbraw/zinc/30/81/64/586308164.db2.gz BVSJPBBMIPGGNA-UWVGGRQHSA-N 1 2 233.258 1.645 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@H](C)C2CC2)C1 ZINC000802773121 586313412 /nfs/dbraw/zinc/31/34/12/586313412.db2.gz NDKQOKUFWCUFCS-SNVBAGLBSA-N 1 2 241.331 1.296 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)C[C@@H](C)CC)C1 ZINC000802772766 586313574 /nfs/dbraw/zinc/31/35/74/586313574.db2.gz UQNQEIBZVNNYDO-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO C/C=C(\CC)C(=O)OC1C[NH+](CCOCC)C1 ZINC000802775905 586313663 /nfs/dbraw/zinc/31/36/63/586313663.db2.gz LBRBPFOREBXACC-NYYWCZLTSA-N 1 2 241.331 1.607 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1CC(C)(C)C1 ZINC000802777130 586314543 /nfs/dbraw/zinc/31/45/43/586314543.db2.gz FWJLAJYWUUYFMG-UHFFFAOYSA-N 1 2 236.315 1.942 20 0 BDADLO CCC[C@H]1C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840036692 586386909 /nfs/dbraw/zinc/38/69/09/586386909.db2.gz FERXDKMYGHDUDU-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840036692 586386911 /nfs/dbraw/zinc/38/69/11/586386911.db2.gz FERXDKMYGHDUDU-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC1CCC1 ZINC000807040495 586422814 /nfs/dbraw/zinc/42/28/14/586422814.db2.gz LOXPNFBRFIOQKE-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CC[NH2+]Cc1noc(-c2cc(C)[nH]c(=O)c2)n1 ZINC000843145414 586445301 /nfs/dbraw/zinc/44/53/01/586445301.db2.gz KLQFDTTVQKRODV-UHFFFAOYSA-N 1 2 234.259 1.255 20 0 BDADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@H+]1CC[C@@H](F)C1 ZINC000840102639 586446570 /nfs/dbraw/zinc/44/65/70/586446570.db2.gz YJUJOAZGHAXSGF-HBNTYKKESA-N 1 2 226.295 1.246 20 0 BDADLO O=C1[C@@H]2CCC[C@H]2CN1C[N@@H+]1CC[C@@H](F)C1 ZINC000840102639 586446571 /nfs/dbraw/zinc/44/65/71/586446571.db2.gz YJUJOAZGHAXSGF-HBNTYKKESA-N 1 2 226.295 1.246 20 0 BDADLO O=C1CC2(CCC2)N1C[N@H+]1CC[C@@H](F)C1 ZINC000840102740 586446857 /nfs/dbraw/zinc/44/68/57/586446857.db2.gz CANGKCDYNCTDAK-SECBINFHSA-N 1 2 212.268 1.143 20 0 BDADLO O=C1CC2(CCC2)N1C[N@@H+]1CC[C@@H](F)C1 ZINC000840102740 586446858 /nfs/dbraw/zinc/44/68/58/586446858.db2.gz CANGKCDYNCTDAK-SECBINFHSA-N 1 2 212.268 1.143 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CC[C@@H](F)C2)C(=O)[C@H]1C ZINC000840115233 586448894 /nfs/dbraw/zinc/44/88/94/586448894.db2.gz NLIUQXGELDJVPG-LPEHRKFASA-N 1 2 214.284 1.102 20 0 BDADLO C[C@H]1CN(C[N@H+]2CC[C@@H](F)C2)C(=O)[C@H]1C ZINC000840115233 586448896 /nfs/dbraw/zinc/44/88/96/586448896.db2.gz NLIUQXGELDJVPG-LPEHRKFASA-N 1 2 214.284 1.102 20 0 BDADLO CS[C@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000840115916 586449270 /nfs/dbraw/zinc/44/92/70/586449270.db2.gz XSEGMATXBSUTSE-VIFPVBQESA-N 1 2 231.752 1.931 20 0 BDADLO CS[C@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000840115916 586449271 /nfs/dbraw/zinc/44/92/71/586449271.db2.gz XSEGMATXBSUTSE-VIFPVBQESA-N 1 2 231.752 1.931 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CN1C(=O)CCC1(C)C ZINC000808160019 586465767 /nfs/dbraw/zinc/46/57/67/586465767.db2.gz LVDNRVMFTTVOMW-NSHDSACASA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@H]1COCC[N@H+]1CN1C(=O)CCC1(C)C ZINC000808160019 586465769 /nfs/dbraw/zinc/46/57/69/586465769.db2.gz LVDNRVMFTTVOMW-NSHDSACASA-N 1 2 240.347 1.456 20 0 BDADLO COc1cc[nH+]cc1CONC(=O)C(C)(C)C ZINC000808257485 586468839 /nfs/dbraw/zinc/46/88/39/586468839.db2.gz QKIIFMHZZCXNDV-UHFFFAOYSA-N 1 2 238.287 1.684 20 0 BDADLO COc1ccc(C[NH2+]Cc2cn(C)cn2)cc1O ZINC000808386089 586470456 /nfs/dbraw/zinc/47/04/56/586470456.db2.gz VZIFYDDJRSVIOT-UHFFFAOYSA-N 1 2 247.298 1.424 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C)cn1)CO2 ZINC000808395888 586471293 /nfs/dbraw/zinc/47/12/93/586471293.db2.gz QNQBPARUJATAEV-CYBMUJFWSA-N 1 2 243.310 1.952 20 0 BDADLO Cn1c[nH+]c(CNc2cccc([S@@](C)=O)c2)c1 ZINC000808397602 586471298 /nfs/dbraw/zinc/47/12/98/586471298.db2.gz QLTSMCXQUWYARO-QGZVFWFLSA-N 1 2 249.339 1.770 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000808729333 586485395 /nfs/dbraw/zinc/48/53/95/586485395.db2.gz YHMIURANLNPKON-GDLVEWKHSA-N 1 2 245.388 1.443 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000808729333 586485396 /nfs/dbraw/zinc/48/53/96/586485396.db2.gz YHMIURANLNPKON-GDLVEWKHSA-N 1 2 245.388 1.443 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000808754186 586487944 /nfs/dbraw/zinc/48/79/44/586487944.db2.gz HKRPSENNQHNOHY-BZNIZROVSA-N 1 2 245.388 1.445 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000808754186 586487946 /nfs/dbraw/zinc/48/79/46/586487946.db2.gz HKRPSENNQHNOHY-BZNIZROVSA-N 1 2 245.388 1.445 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000809952610 586525892 /nfs/dbraw/zinc/52/58/92/586525892.db2.gz BJJHYBOFQKSLFU-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809952610 586525894 /nfs/dbraw/zinc/52/58/94/586525894.db2.gz BJJHYBOFQKSLFU-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1ncc(C[N@@H+]2CCSC(C)(C)C2)n1 ZINC000809953560 586525965 /nfs/dbraw/zinc/52/59/65/586525965.db2.gz PAOHFPLJYJNIQB-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO Cn1ncc(C[N@H+]2CCSC(C)(C)C2)n1 ZINC000809953560 586525967 /nfs/dbraw/zinc/52/59/67/586525967.db2.gz PAOHFPLJYJNIQB-UHFFFAOYSA-N 1 2 226.349 1.143 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)[C@H](C)C2)o1 ZINC000809967461 586527590 /nfs/dbraw/zinc/52/75/90/586527590.db2.gz BKEIJNWBWSALOE-SECBINFHSA-N 1 2 223.320 1.427 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)[C@H](C)C2)o1 ZINC000809967461 586527591 /nfs/dbraw/zinc/52/75/91/586527591.db2.gz BKEIJNWBWSALOE-SECBINFHSA-N 1 2 223.320 1.427 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cnn(C)n1 ZINC000809987446 586528502 /nfs/dbraw/zinc/52/85/02/586528502.db2.gz YELWWHFHXUPCHS-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)Cc1cnn(C)n1 ZINC000809987446 586528503 /nfs/dbraw/zinc/52/85/03/586528503.db2.gz YELWWHFHXUPCHS-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(F)CCCCC1 ZINC000810116640 586534679 /nfs/dbraw/zinc/53/46/79/586534679.db2.gz ADBRFXNUEUHGQQ-UHFFFAOYSA-N 1 2 239.294 1.672 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1conc1C1CC1 ZINC000810602900 586542213 /nfs/dbraw/zinc/54/22/13/586542213.db2.gz XDLHPRIHRXCNCX-UHFFFAOYSA-N 1 2 247.254 1.643 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccco1 ZINC000810756207 586546556 /nfs/dbraw/zinc/54/65/56/586546556.db2.gz YCEIHGKXGWNPKR-PLNGDYQASA-N 1 2 231.255 1.343 20 0 BDADLO Clc1ccc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC000811515016 586560459 /nfs/dbraw/zinc/56/04/59/586560459.db2.gz KZCRDZBJRCHPAX-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ccc(C[N@H+]2CCn3cncc3C2)cn1 ZINC000811515016 586560460 /nfs/dbraw/zinc/56/04/60/586560460.db2.gz KZCRDZBJRCHPAX-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc[nH]c1=S ZINC000811589489 586561842 /nfs/dbraw/zinc/56/18/42/586561842.db2.gz WUZOBYKTIZRAJG-UHFFFAOYSA-N 1 2 248.311 1.034 20 0 BDADLO COCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811735799 586566531 /nfs/dbraw/zinc/56/65/31/586566531.db2.gz FKHCGQOAUPVSNA-LLVKDONJSA-N 1 2 240.347 1.169 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811735799 586566532 /nfs/dbraw/zinc/56/65/32/586566532.db2.gz FKHCGQOAUPVSNA-LLVKDONJSA-N 1 2 240.347 1.169 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)C1(F)CCCC1 ZINC000811933559 586568755 /nfs/dbraw/zinc/56/87/55/586568755.db2.gz DHDZWGIGSWAIMJ-UHFFFAOYSA-N 1 2 237.278 1.508 20 0 BDADLO O=C(/C=C\c1ccco1)N1CCn2c[nH+]cc2C1 ZINC000811933778 586568916 /nfs/dbraw/zinc/56/89/16/586568916.db2.gz IFOZAAAWKWLZIG-ARJAWSKDSA-N 1 2 243.266 1.532 20 0 BDADLO CC[N@H+](Cn1cc[nH]c1=S)[C@@H]1CCOC1 ZINC000812296819 586572615 /nfs/dbraw/zinc/57/26/15/586572615.db2.gz VDOLGVBZYNSXJO-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO CC[N@@H+](Cn1cc[nH]c1=S)[C@@H]1CCOC1 ZINC000812296819 586572616 /nfs/dbraw/zinc/57/26/16/586572616.db2.gz VDOLGVBZYNSXJO-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO CC[N@H+](CN1CCSC1=O)[C@@H]1CCOC1 ZINC000812296928 586572937 /nfs/dbraw/zinc/57/29/37/586572937.db2.gz SKPLDNYTNOEZIJ-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO CC[N@@H+](CN1CCSC1=O)[C@@H]1CCOC1 ZINC000812296928 586572938 /nfs/dbraw/zinc/57/29/38/586572938.db2.gz SKPLDNYTNOEZIJ-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO Cn1cc(NCc2c[nH+]c3ccccn23)nn1 ZINC000812345653 586574232 /nfs/dbraw/zinc/57/42/32/586574232.db2.gz IBLCMQZIVMUWMP-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO c1ncn(C2CN(c3cc[nH+]c(C4CC4)n3)C2)n1 ZINC000812475740 586577805 /nfs/dbraw/zinc/57/78/05/586577805.db2.gz YTJILPYLBINPTL-UHFFFAOYSA-N 1 2 242.286 1.007 20 0 BDADLO CO[C@@](C)(C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000812660515 586581990 /nfs/dbraw/zinc/58/19/90/586581990.db2.gz RAGQXURBPJYWER-GFCCVEGCSA-N 1 2 238.287 1.241 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ncc2c(n1)CCCC2 ZINC000840263321 586583145 /nfs/dbraw/zinc/58/31/45/586583145.db2.gz HCMRVJQMESZNHW-UHFFFAOYSA-N 1 2 243.314 1.715 20 0 BDADLO CO[C@](C)(C(=O)OCc1c[nH+]cn1C)C1CC1 ZINC000813073407 586590554 /nfs/dbraw/zinc/59/05/54/586590554.db2.gz NZBVOCJUUDIUFF-LBPRGKRZSA-N 1 2 238.287 1.278 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@H]1CC(C)(C)OC1=O ZINC000814179998 586615955 /nfs/dbraw/zinc/61/59/55/586615955.db2.gz LUVWIFYJRAAXDD-JTQLQIEISA-N 1 2 223.272 1.806 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@H]1CC(C)(C)OC1=O ZINC000814179998 586615956 /nfs/dbraw/zinc/61/59/56/586615956.db2.gz LUVWIFYJRAAXDD-JTQLQIEISA-N 1 2 223.272 1.806 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)NC1CCC1 ZINC000814195090 586616630 /nfs/dbraw/zinc/61/66/30/586616630.db2.gz UQZCFDJDXQDRJS-VIFPVBQESA-N 1 2 238.360 1.288 20 0 BDADLO CO[C@H]1CCCC[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000814800179 586635433 /nfs/dbraw/zinc/63/54/33/586635433.db2.gz MOBQRBBSLWUOAQ-BDAKNGLRSA-N 1 2 242.344 1.411 20 0 BDADLO CSc1cc(C[NH2+]Cc2cnn(C)n2)ccn1 ZINC000815134916 586668689 /nfs/dbraw/zinc/66/86/89/586668689.db2.gz FZIUZMZCXVGCDK-UHFFFAOYSA-N 1 2 249.343 1.222 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ncoc1C1CC1 ZINC000815967683 586700505 /nfs/dbraw/zinc/70/05/05/586700505.db2.gz JFUHRLBUFULVRI-UHFFFAOYSA-N 1 2 247.254 1.643 20 0 BDADLO CO[C@H](COC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000816384388 586723736 /nfs/dbraw/zinc/72/37/36/586723736.db2.gz QCCCECBAYSDILO-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO CO[C@H](COC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000816384388 586723738 /nfs/dbraw/zinc/72/37/38/586723738.db2.gz QCCCECBAYSDILO-VXGBXAGGSA-N 1 2 241.331 1.439 20 0 BDADLO Cn1ncc(C[N@H+](C)[C@H]2CCOC2)c1Cl ZINC000816503800 586737784 /nfs/dbraw/zinc/73/77/84/586737784.db2.gz MQTYAPFBLAPFJT-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO Cn1ncc(C[N@@H+](C)[C@H]2CCOC2)c1Cl ZINC000816503800 586737786 /nfs/dbraw/zinc/73/77/86/586737786.db2.gz MQTYAPFBLAPFJT-VIFPVBQESA-N 1 2 229.711 1.294 20 0 BDADLO C/C=C(/CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000816651500 586752790 /nfs/dbraw/zinc/75/27/90/586752790.db2.gz JCODRHKKIYTNAY-OQFOIZHKSA-N 1 2 219.288 1.651 20 0 BDADLO C/C=C(/CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000816651500 586752791 /nfs/dbraw/zinc/75/27/91/586752791.db2.gz JCODRHKKIYTNAY-OQFOIZHKSA-N 1 2 219.288 1.651 20 0 BDADLO C=C=CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000816701342 586758947 /nfs/dbraw/zinc/75/89/47/586758947.db2.gz QIWLKGLZVKUCPZ-UHFFFAOYSA-N 1 2 240.266 1.338 20 0 BDADLO Cc1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816810027 586765768 /nfs/dbraw/zinc/76/57/68/586765768.db2.gz UVTQNOIWXXFTSS-UHFFFAOYSA-N 1 2 215.256 1.899 20 0 BDADLO C[C@@H](c1ccncc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816907097 586770694 /nfs/dbraw/zinc/77/06/94/586770694.db2.gz HYHREFWFHOAMMF-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C1CCC1 ZINC000816917394 586771303 /nfs/dbraw/zinc/77/13/03/586771303.db2.gz NBBMUSFYTWCYQC-LLVKDONJSA-N 1 2 233.315 1.743 20 0 BDADLO COc1ccc(C)nc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816942224 586772687 /nfs/dbraw/zinc/77/26/87/586772687.db2.gz IETAVRHTMKXQPD-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(F)nc1 ZINC000816948730 586772971 /nfs/dbraw/zinc/77/29/71/586772971.db2.gz DZOBZXWRXFKUJE-UHFFFAOYSA-N 1 2 220.207 1.125 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000816970667 586775592 /nfs/dbraw/zinc/77/55/92/586775592.db2.gz GSGKMIDCGNSULT-WDEREUQCSA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@H](C)CONC(=O)CCCn1cc[nH+]c1 ZINC000816974658 586775729 /nfs/dbraw/zinc/77/57/29/586775729.db2.gz KHAAIEXAXRQGET-NSHDSACASA-N 1 2 239.319 1.757 20 0 BDADLO CC[C@@H](C)CONC(=O)CCn1cc[nH+]c1 ZINC000816976489 586776257 /nfs/dbraw/zinc/77/62/57/586776257.db2.gz DXICCVOGPJGOGC-SNVBAGLBSA-N 1 2 225.292 1.367 20 0 BDADLO C[C@@H](CF)NC(=O)c1cccc2[nH+]ccn21 ZINC000817127047 586783252 /nfs/dbraw/zinc/78/32/52/586783252.db2.gz XPSVIYQDSMYDCL-QMMMGPOBSA-N 1 2 221.235 1.422 20 0 BDADLO CONC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817170626 586784892 /nfs/dbraw/zinc/78/48/92/586784892.db2.gz HUJHOKCXUCTFQI-UHFFFAOYSA-N 1 2 209.249 1.059 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CC12CC2 ZINC000817232952 586786863 /nfs/dbraw/zinc/78/68/63/586786863.db2.gz PLYPCEBFIRQKOS-SNVBAGLBSA-N 1 2 220.272 1.306 20 0 BDADLO COC/C=C/C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817620961 586814350 /nfs/dbraw/zinc/81/43/50/586814350.db2.gz MPWXJVBGWUUORY-SNAWJCMRSA-N 1 2 234.299 1.517 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CC12CC2 ZINC000817733337 586822654 /nfs/dbraw/zinc/82/26/54/586822654.db2.gz ZWEVAWLSZCYSBS-NXEZZACHSA-N 1 2 227.279 1.374 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CC12CC2 ZINC000817733337 586822657 /nfs/dbraw/zinc/82/26/57/586822657.db2.gz ZWEVAWLSZCYSBS-NXEZZACHSA-N 1 2 227.279 1.374 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)COC(C)C)C1CC1 ZINC000818076666 586867357 /nfs/dbraw/zinc/86/73/57/586867357.db2.gz MQKKFGRFNWFUFC-JTQLQIEISA-N 1 2 230.308 1.335 20 0 BDADLO CO[C@H](CO[NH+]=C(N)COC(C)(C)C)C1CC1 ZINC000818083557 586871388 /nfs/dbraw/zinc/87/13/88/586871388.db2.gz YMHDCJRHJVZGGK-SNVBAGLBSA-N 1 2 244.335 1.725 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccncc2C)n1 ZINC000818223165 586879433 /nfs/dbraw/zinc/87/94/33/586879433.db2.gz RVPMHDMZJXWTJY-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)c2ccc(C)cc2)no1 ZINC000819074935 586929073 /nfs/dbraw/zinc/92/90/73/586929073.db2.gz WPSSSCMOJHOHTG-LBPRGKRZSA-N 1 2 247.298 1.510 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C(F)=C1CCC1 ZINC000819272775 586946186 /nfs/dbraw/zinc/94/61/86/586946186.db2.gz GRUQVNAFIOFHPU-UHFFFAOYSA-N 1 2 209.224 1.433 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C(F)=C1CCC1 ZINC000819544965 586975963 /nfs/dbraw/zinc/97/59/63/586975963.db2.gz XBBSUNONQZNCBY-SECBINFHSA-N 1 2 235.262 1.852 20 0 BDADLO CCCSCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819766962 586991838 /nfs/dbraw/zinc/99/18/38/586991838.db2.gz QMRXBPXSSUBHBQ-ZETCQYMHSA-N 1 2 232.374 1.737 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)CCC2CC2)S1 ZINC000819774831 586991886 /nfs/dbraw/zinc/99/18/86/586991886.db2.gz UCIRPYLSARLLKU-ZETCQYMHSA-N 1 2 212.318 1.784 20 0 BDADLO CO[C@H](C)CCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819774952 586992201 /nfs/dbraw/zinc/99/22/01/586992201.db2.gz AEOUSHNQVSCPNE-HTQZYQBOSA-N 1 2 230.333 1.409 20 0 BDADLO CC[C@@H](SC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775718 586992716 /nfs/dbraw/zinc/99/27/16/586992716.db2.gz FWGIZJGURSRYLN-RNFRBKRXSA-N 1 2 232.374 1.736 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)[C@@H]2CC2(C)C)S1 ZINC000819777389 586992866 /nfs/dbraw/zinc/99/28/66/586992866.db2.gz RQFLTILFLMFOBR-BQBZGAKWSA-N 1 2 212.318 1.640 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ccc(Cl)nn1)CC2 ZINC000819923924 587002065 /nfs/dbraw/zinc/00/20/65/587002065.db2.gz AKHQITNBTHPRNJ-UHFFFAOYSA-N 1 2 249.705 1.655 20 0 BDADLO CCn1nc(C)c(CNc2cc(C)[nH+]cn2)n1 ZINC000819938098 587004333 /nfs/dbraw/zinc/00/43/33/587004333.db2.gz BZBNNWRXHXXVST-UHFFFAOYSA-N 1 2 232.291 1.317 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ncc(C)o2)[nH+]1 ZINC000820463895 587050348 /nfs/dbraw/zinc/05/03/48/587050348.db2.gz UUBANTZDQQAAOZ-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO C[C@@H](F)CCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820631394 587059996 /nfs/dbraw/zinc/05/99/96/587059996.db2.gz PAMUZAWSJMRFIG-ZBJFTSOASA-N 1 2 225.267 1.298 20 0 BDADLO C[C@H](F)CCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820631392 587060070 /nfs/dbraw/zinc/06/00/70/587060070.db2.gz PAMUZAWSJMRFIG-TYRPZCRBSA-N 1 2 225.267 1.298 20 0 BDADLO CCOC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000820826272 587075065 /nfs/dbraw/zinc/07/50/65/587075065.db2.gz FSAGNEFCQOYFQJ-UHFFFAOYSA-N 1 2 245.282 1.424 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)on1 ZINC000820841124 587076591 /nfs/dbraw/zinc/07/65/91/587076591.db2.gz HJODOJUTEIXBRE-MRVPVSSYSA-N 1 2 236.275 1.566 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3cc[nH+]c32)C=CCC1 ZINC000820947448 587083661 /nfs/dbraw/zinc/08/36/61/587083661.db2.gz CSYKTAAHWQFFHP-GXFFZTMASA-N 1 2 231.299 1.800 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820959935 587084640 /nfs/dbraw/zinc/08/46/40/587084640.db2.gz KRSUBOLHMDDWPU-SECBINFHSA-N 1 2 209.293 1.455 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@@H](F)C2)c1 ZINC000821036829 587089979 /nfs/dbraw/zinc/08/99/79/587089979.db2.gz HKQRILWTCDBJJH-GKQMSVHHSA-N 1 2 223.251 1.004 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1c(O)cccc1F ZINC000821343968 587109311 /nfs/dbraw/zinc/10/93/11/587109311.db2.gz BGGUIKBBDJRLLM-UHFFFAOYSA-N 1 2 238.262 1.566 20 0 BDADLO CCOCCNc1[nH+]c(C)ccc1-c1nn[nH]n1 ZINC000821383776 587114809 /nfs/dbraw/zinc/11/48/09/587114809.db2.gz JIEGJXNHNXAVPR-UHFFFAOYSA-N 1 2 248.290 1.019 20 0 BDADLO O=C(C[C@H]1CC=CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821385690 587115368 /nfs/dbraw/zinc/11/53/68/587115368.db2.gz NFMZXXBGDHHGMH-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC=CC1 ZINC000821387129 587115412 /nfs/dbraw/zinc/11/54/12/587115412.db2.gz YAEHGELXINDYBI-JTQLQIEISA-N 1 2 231.299 1.280 20 0 BDADLO CO[C@H]1CC[C@@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC000821401680 587117322 /nfs/dbraw/zinc/11/73/22/587117322.db2.gz GJBMYEFTWACKCD-ZJUUUORDSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[C@@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC000821401680 587117323 /nfs/dbraw/zinc/11/73/23/587117323.db2.gz GJBMYEFTWACKCD-ZJUUUORDSA-N 1 2 225.292 1.377 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821423053 587118690 /nfs/dbraw/zinc/11/86/90/587118690.db2.gz QYWYMOXAESBNJR-KWKBKKAHSA-N 1 2 233.315 1.596 20 0 BDADLO O=C([O-])[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000821509747 587123652 /nfs/dbraw/zinc/12/36/52/587123652.db2.gz UXIFMFGGLORBID-LLVKDONJSA-N 1 2 245.282 1.383 20 0 BDADLO O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000821509747 587123653 /nfs/dbraw/zinc/12/36/53/587123653.db2.gz UXIFMFGGLORBID-LLVKDONJSA-N 1 2 245.282 1.383 20 0 BDADLO O=C(OCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000821595825 587131446 /nfs/dbraw/zinc/13/14/46/587131446.db2.gz MNCJRMXDADPPMM-UHFFFAOYSA-N 1 2 230.267 1.830 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000822031820 587149642 /nfs/dbraw/zinc/14/96/42/587149642.db2.gz DSKHEJMNFWKCJY-JQBPPHQNSA-N 1 2 245.326 1.596 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]1c1ccccc1 ZINC000822030146 587149765 /nfs/dbraw/zinc/14/97/65/587149765.db2.gz PYPBZIGQCSDYPU-LBPRGKRZSA-N 1 2 241.294 1.926 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCOC1CCCC1 ZINC000822807436 587187061 /nfs/dbraw/zinc/18/70/61/587187061.db2.gz WDQAKMGHXXMFSQ-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO COC[C@H]([NH3+])c1nc(CCCOC(C)C)no1 ZINC000822831692 587188136 /nfs/dbraw/zinc/18/81/36/587188136.db2.gz OHUUIKVVZCQJOZ-VIFPVBQESA-N 1 2 243.307 1.073 20 0 BDADLO CCC[C@@H](CC)C(=O)NCc1c[nH+]cn1C ZINC000822997718 587197024 /nfs/dbraw/zinc/19/70/24/587197024.db2.gz NWKJEKLDLCAFSN-SNVBAGLBSA-N 1 2 223.320 1.863 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCC1OCCCO1)C2 ZINC000823007119 587197571 /nfs/dbraw/zinc/19/75/71/587197571.db2.gz UGXCCQJAEUKEBH-UHFFFAOYSA-N 1 2 234.299 1.550 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCC1OCCCO1)C2 ZINC000823007119 587197572 /nfs/dbraw/zinc/19/75/72/587197572.db2.gz UGXCCQJAEUKEBH-UHFFFAOYSA-N 1 2 234.299 1.550 20 0 BDADLO Cc1cc(CNC(=O)CC2(C)COC2)cc(C)[nH+]1 ZINC000823056985 587200159 /nfs/dbraw/zinc/20/01/59/587200159.db2.gz LHIHNPUSFBIVFH-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO C[C@@H](Cc1ccsc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823140880 587204668 /nfs/dbraw/zinc/20/46/68/587204668.db2.gz ABGRBATVLSQYKE-VIFPVBQESA-N 1 2 249.339 1.761 20 0 BDADLO CCCCC[C@@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000823190641 587207542 /nfs/dbraw/zinc/20/75/42/587207542.db2.gz KBNBWGQQVPAGCE-SNVBAGLBSA-N 1 2 239.319 1.309 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2C[C@H]2C2CCC2)c1 ZINC000823236699 587210386 /nfs/dbraw/zinc/21/03/86/587210386.db2.gz YTFFRGXVIRNQOY-JQSFKPKSSA-N 1 2 245.326 1.738 20 0 BDADLO Cc1cn2ccc(C(=O)NOC(C)C)cc2[nH+]1 ZINC000823301566 587214888 /nfs/dbraw/zinc/21/48/88/587214888.db2.gz FUFDMFZXDAJSFX-UHFFFAOYSA-N 1 2 233.271 1.713 20 0 BDADLO Fc1cc(C[N@@H+]2CCCOCC2)c(F)cn1 ZINC000823413189 587220382 /nfs/dbraw/zinc/22/03/82/587220382.db2.gz BKYXIEPQXOHSAQ-UHFFFAOYSA-N 1 2 228.242 1.582 20 0 BDADLO Fc1cc(C[N@H+]2CCCOCC2)c(F)cn1 ZINC000823413189 587220384 /nfs/dbraw/zinc/22/03/84/587220384.db2.gz BKYXIEPQXOHSAQ-UHFFFAOYSA-N 1 2 228.242 1.582 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000823458935 587223685 /nfs/dbraw/zinc/22/36/85/587223685.db2.gz KBFVADGKMPKNOO-VIFPVBQESA-N 1 2 242.269 1.828 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000823458935 587223687 /nfs/dbraw/zinc/22/36/87/587223687.db2.gz KBFVADGKMPKNOO-VIFPVBQESA-N 1 2 242.269 1.828 20 0 BDADLO CC(C)[C@H](C)N(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823523302 587229395 /nfs/dbraw/zinc/22/93/95/587229395.db2.gz CPCCULTYCFINQG-JTQLQIEISA-N 1 2 235.331 1.988 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CO1 ZINC000823698958 587236791 /nfs/dbraw/zinc/23/67/91/587236791.db2.gz XEVWZXXHZKZJCX-SCZZXKLOSA-N 1 2 245.282 1.470 20 0 BDADLO CCn1nc(C)c(CNc2c[nH+]cc(C)c2)n1 ZINC000824028119 587249553 /nfs/dbraw/zinc/24/95/53/587249553.db2.gz VZEOKEVMRBXDHH-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCCONC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000824041850 587250782 /nfs/dbraw/zinc/25/07/82/587250782.db2.gz RZCKQZZBWIMDAH-UHFFFAOYSA-N 1 2 233.271 1.714 20 0 BDADLO C[C@@H](c1ccccn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000824316943 587265794 /nfs/dbraw/zinc/26/57/94/587265794.db2.gz RPJCKKAGLXCBIF-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO Cc1oc(C=O)cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824629807 587280370 /nfs/dbraw/zinc/28/03/70/587280370.db2.gz YHOMSCICLNGYKR-UHFFFAOYSA-N 1 2 247.254 1.396 20 0 BDADLO Cc1oc(C=O)cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824629807 587280371 /nfs/dbraw/zinc/28/03/71/587280371.db2.gz YHOMSCICLNGYKR-UHFFFAOYSA-N 1 2 247.254 1.396 20 0 BDADLO CCC[C@H](O)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000825409947 587319111 /nfs/dbraw/zinc/31/91/11/587319111.db2.gz MVHDUCDXPIQWAV-JTQLQIEISA-N 1 2 247.298 1.742 20 0 BDADLO C/C(=C\C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)[O-] ZINC000825736475 587335571 /nfs/dbraw/zinc/33/55/71/587335571.db2.gz ZWYGJSYGPTUSQL-BIIKFXOESA-N 1 2 249.314 1.551 20 0 BDADLO Cc1cc[nH+]c(NCC2CC2)c1-c1nn[nH]n1 ZINC000826313462 587351920 /nfs/dbraw/zinc/35/19/20/587351920.db2.gz HRFAACJXHFYCQY-UHFFFAOYSA-N 1 2 230.275 1.392 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000867042593 587360449 /nfs/dbraw/zinc/36/04/49/587360449.db2.gz LYKWKQHQBQARDV-KATARQTJSA-N 1 2 232.283 1.440 20 0 BDADLO Cc1ccc(CN(C)Cc2c[nH+]c[nH]2)nn1 ZINC000826769436 587361992 /nfs/dbraw/zinc/36/19/92/587361992.db2.gz MNQQXJZHEDSKRX-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000827229552 587373546 /nfs/dbraw/zinc/37/35/46/587373546.db2.gz HIZDGANMOITFJT-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO C[C@@]1(C[N@@H+]2CCNC(=O)C2)CC1(Cl)Cl ZINC000827299325 587376167 /nfs/dbraw/zinc/37/61/67/587376167.db2.gz PBAYRYNNQLSTLN-QMMMGPOBSA-N 1 2 237.130 1.002 20 0 BDADLO C[C@@]1(C[N@H+]2CCNC(=O)C2)CC1(Cl)Cl ZINC000827299325 587376168 /nfs/dbraw/zinc/37/61/68/587376168.db2.gz PBAYRYNNQLSTLN-QMMMGPOBSA-N 1 2 237.130 1.002 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000827435009 587381386 /nfs/dbraw/zinc/38/13/86/587381386.db2.gz SGSLECUCRZQMMI-ABRRARGCSA-N 1 2 233.315 1.740 20 0 BDADLO CCC(C)=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000827435009 587381387 /nfs/dbraw/zinc/38/13/87/587381387.db2.gz SGSLECUCRZQMMI-ABRRARGCSA-N 1 2 233.315 1.740 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)nn1 ZINC000828009346 587416383 /nfs/dbraw/zinc/41/63/83/587416383.db2.gz JNIUFXXNTKYTNC-UHFFFAOYSA-N 1 2 243.314 1.457 20 0 BDADLO Cc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)nn1 ZINC000828009346 587416385 /nfs/dbraw/zinc/41/63/85/587416385.db2.gz JNIUFXXNTKYTNC-UHFFFAOYSA-N 1 2 243.314 1.457 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828491079 587445442 /nfs/dbraw/zinc/44/54/42/587445442.db2.gz UAAMZFFPOCUJGE-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO O=C(NC[C@H]1C[C@H](O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000828844310 587465935 /nfs/dbraw/zinc/46/59/35/587465935.db2.gz NXVUPOUXDGWNHH-CZMCAQCFSA-N 1 2 245.282 1.064 20 0 BDADLO CS[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828931487 587473040 /nfs/dbraw/zinc/47/30/40/587473040.db2.gz VQVWHBOKZXBWGC-RKDXNWHRSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)S1 ZINC000828956383 587475715 /nfs/dbraw/zinc/47/57/15/587475715.db2.gz WCSQNDUVJNSPJZ-RKDXNWHRSA-N 1 2 239.344 1.305 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829334728 587492911 /nfs/dbraw/zinc/49/29/11/587492911.db2.gz JTJMELGICZTVDC-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)[C@H]3CC34CC4)cc2C1 ZINC000829399010 587496120 /nfs/dbraw/zinc/49/61/20/587496120.db2.gz OXXJZBHGZLPSSU-SNVBAGLBSA-N 1 2 246.314 1.067 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)[C@H]3CC34CC4)cc2C1 ZINC000829399010 587496121 /nfs/dbraw/zinc/49/61/21/587496121.db2.gz OXXJZBHGZLPSSU-SNVBAGLBSA-N 1 2 246.314 1.067 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829432811 587497010 /nfs/dbraw/zinc/49/70/10/587497010.db2.gz NFPZPWDYCJIKHF-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)C1CC1 ZINC000829442000 587497758 /nfs/dbraw/zinc/49/77/58/587497758.db2.gz PZLXTYICJRACRV-VIFPVBQESA-N 1 2 248.330 1.313 20 0 BDADLO C[C@H](C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)C1CC1 ZINC000829442000 587497759 /nfs/dbraw/zinc/49/77/59/587497759.db2.gz PZLXTYICJRACRV-VIFPVBQESA-N 1 2 248.330 1.313 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C(C)(C)C)cc2C1 ZINC000829462246 587498722 /nfs/dbraw/zinc/49/87/22/587498722.db2.gz CBAKBSYHTCJGCE-UHFFFAOYSA-N 1 2 236.319 1.313 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C(C)(C)C)cc2C1 ZINC000829462246 587498723 /nfs/dbraw/zinc/49/87/23/587498723.db2.gz CBAKBSYHTCJGCE-UHFFFAOYSA-N 1 2 236.319 1.313 20 0 BDADLO Cc1cccc2c1N(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000829649897 587507547 /nfs/dbraw/zinc/50/75/47/587507547.db2.gz QGQMBXYFFQSKTR-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO CC1(C)C(NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000829643975 587507736 /nfs/dbraw/zinc/50/77/36/587507736.db2.gz JWLGUJRFHAPNDU-UHFFFAOYSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1ccncc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000829720069 587512028 /nfs/dbraw/zinc/51/20/28/587512028.db2.gz QXVAUJIXLPAQCZ-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000829928477 587528884 /nfs/dbraw/zinc/52/88/84/587528884.db2.gz CPQRGRJXRYILFB-LLVKDONJSA-N 1 2 247.342 1.821 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000829928477 587528885 /nfs/dbraw/zinc/52/88/85/587528885.db2.gz CPQRGRJXRYILFB-LLVKDONJSA-N 1 2 247.342 1.821 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000830028519 587532764 /nfs/dbraw/zinc/53/27/64/587532764.db2.gz NKLJGMVJVRNIGH-PSASIEDQSA-N 1 2 208.309 1.447 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000830028519 587532765 /nfs/dbraw/zinc/53/27/65/587532765.db2.gz NKLJGMVJVRNIGH-PSASIEDQSA-N 1 2 208.309 1.447 20 0 BDADLO O[C@H](C[N@@H+]1CC[C@@H](F)C1)c1cccc(F)c1 ZINC000830467168 587552527 /nfs/dbraw/zinc/55/25/27/587552527.db2.gz GGXGQZAEZHGBIO-VXGBXAGGSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@H](C[N@H+]1CC[C@@H](F)C1)c1cccc(F)c1 ZINC000830467168 587552529 /nfs/dbraw/zinc/55/25/29/587552529.db2.gz GGXGQZAEZHGBIO-VXGBXAGGSA-N 1 2 227.254 1.903 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1(F)CC1 ZINC000830749756 587566717 /nfs/dbraw/zinc/56/67/17/587566717.db2.gz NHNBQEUIPZGBPP-UHFFFAOYSA-N 1 2 212.224 1.008 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000830808023 587571500 /nfs/dbraw/zinc/57/15/00/587571500.db2.gz AMZHIJZUJKSWJA-HBNTYKKESA-N 1 2 228.336 1.468 20 0 BDADLO CC[N@H+](CCSC)CC(=O)OCC(C)C ZINC000830999363 587581428 /nfs/dbraw/zinc/58/14/28/587581428.db2.gz HGYYAYWNFUHBJO-UHFFFAOYSA-N 1 2 233.377 1.871 20 0 BDADLO CC[N@@H+](CCSC)CC(=O)OCC(C)C ZINC000830999363 587581429 /nfs/dbraw/zinc/58/14/29/587581429.db2.gz HGYYAYWNFUHBJO-UHFFFAOYSA-N 1 2 233.377 1.871 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccc2nn[nH]c2c1)C1CC1 ZINC000831068599 587585009 /nfs/dbraw/zinc/58/50/09/587585009.db2.gz ZCPPDMGVAAIVSI-VIFPVBQESA-N 1 2 245.286 1.024 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)OC1CCCC1 ZINC000831157991 587588295 /nfs/dbraw/zinc/58/82/95/587588295.db2.gz BIYWKMLKDPNMSH-SNVBAGLBSA-N 1 2 249.314 1.867 20 0 BDADLO CC(C)O[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC000831359117 587600895 /nfs/dbraw/zinc/60/08/95/587600895.db2.gz RCIYEECBQJBBTB-QWRGUYRKSA-N 1 2 238.335 1.486 20 0 BDADLO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC000831359117 587600896 /nfs/dbraw/zinc/60/08/96/587600896.db2.gz RCIYEECBQJBBTB-QWRGUYRKSA-N 1 2 238.335 1.486 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758997 587630269 /nfs/dbraw/zinc/63/02/69/587630269.db2.gz GYMONBJZYLMULR-RNFRBKRXSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CC(=O)N1 ZINC000831758997 587630270 /nfs/dbraw/zinc/63/02/70/587630270.db2.gz GYMONBJZYLMULR-RNFRBKRXSA-N 1 2 237.130 1.001 20 0 BDADLO Cc1nonc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000831778795 587631639 /nfs/dbraw/zinc/63/16/39/587631639.db2.gz WEKFCGGADXOUAO-LLVKDONJSA-N 1 2 239.344 1.705 20 0 BDADLO Cc1nonc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000831778795 587631640 /nfs/dbraw/zinc/63/16/40/587631640.db2.gz WEKFCGGADXOUAO-LLVKDONJSA-N 1 2 239.344 1.705 20 0 BDADLO CCC(F)(F)C(=O)NCCc1c[nH+]cn1C ZINC000831983017 587641138 /nfs/dbraw/zinc/64/11/38/587641138.db2.gz JTWZUGNRELRFEF-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000832146677 587646742 /nfs/dbraw/zinc/64/67/42/587646742.db2.gz BKXNVBLBBYLBQU-OUAUKWLOSA-N 1 2 235.331 1.893 20 0 BDADLO CCN(CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000832194376 587649916 /nfs/dbraw/zinc/64/99/16/587649916.db2.gz RSTGOHZYVHTISZ-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000832655581 587674105 /nfs/dbraw/zinc/67/41/05/587674105.db2.gz RAGIGEGMYLXXSG-NNYUYHANSA-N 1 2 247.342 1.828 20 0 BDADLO CCC[C@@H](O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000832667661 587676023 /nfs/dbraw/zinc/67/60/23/587676023.db2.gz LXMKRWOLDWIHBZ-SNVBAGLBSA-N 1 2 239.319 1.010 20 0 BDADLO COCC(C)(C)CCNC(=O)Cn1cc[nH+]c1 ZINC000832747378 587683427 /nfs/dbraw/zinc/68/34/27/587683427.db2.gz VTMJSVVRBCVEFN-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833300696 587705293 /nfs/dbraw/zinc/70/52/93/587705293.db2.gz QIBWUIRWXBOITO-UWVGGRQHSA-N 1 2 221.304 1.880 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC(=O)[O-])C1 ZINC000833761156 587730450 /nfs/dbraw/zinc/73/04/50/587730450.db2.gz YPDWUWWQSDYDHG-JTQLQIEISA-N 1 2 237.303 1.074 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC000833761156 587730452 /nfs/dbraw/zinc/73/04/52/587730452.db2.gz YPDWUWWQSDYDHG-JTQLQIEISA-N 1 2 237.303 1.074 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000834377100 587753568 /nfs/dbraw/zinc/75/35/68/587753568.db2.gz BHWAIMTXNJSZQU-CYBMUJFWSA-N 1 2 239.290 1.580 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H]3CCC[C@H]3O2)c[nH+]1 ZINC000834401388 587754537 /nfs/dbraw/zinc/75/45/37/587754537.db2.gz IHQHSUYKMFPMNM-JFGNBEQYSA-N 1 2 249.314 1.406 20 0 BDADLO Cc1cccc(CCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000834765645 587766302 /nfs/dbraw/zinc/76/63/02/587766302.db2.gz UAOIQMZODMGVFE-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(C2CCCC2)C1 ZINC000834840660 587768473 /nfs/dbraw/zinc/76/84/73/587768473.db2.gz QYXKYHGTWTUBIP-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO CC1=NO[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000834836242 587768598 /nfs/dbraw/zinc/76/85/98/587768598.db2.gz KOKXNWDNGNGGLR-JTQLQIEISA-N 1 2 244.254 1.438 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000835021268 587778818 /nfs/dbraw/zinc/77/88/18/587778818.db2.gz UYAFPRNWODGWBF-LBPRGKRZSA-N 1 2 247.273 1.761 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC1(C)C ZINC000121421707 587808672 /nfs/dbraw/zinc/80/86/72/587808672.db2.gz FRUNELKONVVOEG-JTQLQIEISA-N 1 2 221.304 1.125 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836442384 587833445 /nfs/dbraw/zinc/83/34/45/587833445.db2.gz IIWDXRGLMBIUKX-KXUCPTDWSA-N 1 2 234.303 1.426 20 0 BDADLO CC[C@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836515593 587834642 /nfs/dbraw/zinc/83/46/42/587834642.db2.gz CZEXSYMQYKUVAD-QWRGUYRKSA-N 1 2 248.330 1.769 20 0 BDADLO CC[N@H+](Cc1ccoc1)[C@@H]1CCOC1=O ZINC000102517400 587835352 /nfs/dbraw/zinc/83/53/52/587835352.db2.gz JNPBLZQKPGLUGK-SNVBAGLBSA-N 1 2 209.245 1.417 20 0 BDADLO CC[N@@H+](Cc1ccoc1)[C@@H]1CCOC1=O ZINC000102517400 587835353 /nfs/dbraw/zinc/83/53/53/587835353.db2.gz JNPBLZQKPGLUGK-SNVBAGLBSA-N 1 2 209.245 1.417 20 0 BDADLO CC[NH+](CC)CCSCC(=O)NOC(C)C ZINC000836797759 587837006 /nfs/dbraw/zinc/83/70/06/587837006.db2.gz ACZKBPRPOVKQGO-UHFFFAOYSA-N 1 2 248.392 1.518 20 0 BDADLO Cc1nonc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836956613 587843738 /nfs/dbraw/zinc/84/37/38/587843738.db2.gz XHEJMHOHRFPYLO-XPUUQOCRSA-N 1 2 247.258 1.010 20 0 BDADLO C/C(=C/C(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000837716773 587892395 /nfs/dbraw/zinc/89/23/95/587892395.db2.gz FHYLUQRYAHPLKS-YFHOEESVSA-N 1 2 233.315 1.435 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000837975864 587906918 /nfs/dbraw/zinc/90/69/18/587906918.db2.gz FWYIOSBIXDHDHK-GHMZBOCLSA-N 1 2 222.288 1.863 20 0 BDADLO CCO/C=C\C(=O)OCc1cc[nH+]c(N)c1 ZINC000840588555 587913235 /nfs/dbraw/zinc/91/32/35/587913235.db2.gz NMIWMXOCWIGWDN-XQRVVYSFSA-N 1 2 222.244 1.257 20 0 BDADLO CCCNC(=S)N[C@H](C)c1[nH+]ccn1CC ZINC000840809480 587922691 /nfs/dbraw/zinc/92/26/91/587922691.db2.gz HEHYXOJSLKXITE-SECBINFHSA-N 1 2 240.376 1.838 20 0 BDADLO CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000840963365 587932222 /nfs/dbraw/zinc/93/22/22/587932222.db2.gz RKGODYQVCSZALO-GHMZBOCLSA-N 1 2 226.299 1.668 20 0 BDADLO Cc1cc(C)c(CN2C(=O)[C@@H](C)NC2=S)c[nH+]1 ZINC000841490091 587956367 /nfs/dbraw/zinc/95/63/67/587956367.db2.gz KFGQCEACPUKHLP-SECBINFHSA-N 1 2 249.339 1.304 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2c(C)noc2C)n(C)n1 ZINC000841833589 587976810 /nfs/dbraw/zinc/97/68/10/587976810.db2.gz NDGXFWGAEFQNHQ-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2c(C)noc2C)n(C)n1 ZINC000841833589 587976811 /nfs/dbraw/zinc/97/68/11/587976811.db2.gz NDGXFWGAEFQNHQ-UHFFFAOYSA-N 1 2 248.330 1.965 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000841876856 587979931 /nfs/dbraw/zinc/97/99/31/587979931.db2.gz IUNMMXXRYMSFOX-QWRGUYRKSA-N 1 2 243.347 1.731 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@H](C(F)F)C1 ZINC000841884429 587980771 /nfs/dbraw/zinc/98/07/71/587980771.db2.gz LWPQCNORPYZEIH-JTQLQIEISA-N 1 2 245.273 1.369 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000842026751 587990474 /nfs/dbraw/zinc/99/04/74/587990474.db2.gz KIENZUMMTSEVPN-SSDOTTSWSA-N 1 2 244.241 1.582 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@H](C)CC(C)C ZINC000842035859 587991626 /nfs/dbraw/zinc/99/16/26/587991626.db2.gz FPPLJPBFSKCNLF-BDAKNGLRSA-N 1 2 202.298 1.954 20 0 BDADLO COc1cccc(C(N)=[NH+]OCC[C@H](C)O)c1 ZINC000842033421 587991694 /nfs/dbraw/zinc/99/16/94/587991694.db2.gz PBOWJWGOYURZLO-VIFPVBQESA-N 1 2 238.287 1.313 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCOCC1CCC1 ZINC000842037275 587992216 /nfs/dbraw/zinc/99/22/16/587992216.db2.gz VTENPRBPORUCQL-SECBINFHSA-N 1 2 230.308 1.336 20 0 BDADLO CC(C)=CCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842657040 588049944 /nfs/dbraw/zinc/04/99/44/588049944.db2.gz QXHHVCSGZJYQAT-NSHDSACASA-N 1 2 242.319 1.647 20 0 BDADLO NC(COC[C@H]1CCCO1)=[NH+]OCCCCF ZINC000842655090 588049983 /nfs/dbraw/zinc/04/99/83/588049983.db2.gz BWFZNKOUMMBWDC-SNVBAGLBSA-N 1 2 248.298 1.430 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC1CCCC1 ZINC000842687018 588052301 /nfs/dbraw/zinc/05/23/01/588052301.db2.gz NOBKCKKRJWNSHB-GARJFASQSA-N 1 2 241.331 1.628 20 0 BDADLO CC[NH2+]Cc1noc(-c2ccc(OC)cc2O)n1 ZINC000843145494 588087004 /nfs/dbraw/zinc/08/70/04/588087004.db2.gz ICGPEJPVFXKLGD-UHFFFAOYSA-N 1 2 249.270 1.560 20 0 BDADLO COCC[NH2+]Cc1nc([C@@H](C)C2CC2)no1 ZINC000843195933 588093277 /nfs/dbraw/zinc/09/32/77/588093277.db2.gz WCEJPXBTBMPXTF-QMMMGPOBSA-N 1 2 225.292 1.319 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)C1(F)CC1 ZINC000843528879 588120016 /nfs/dbraw/zinc/12/00/16/588120016.db2.gz JCFGYTGSWXFIFI-UHFFFAOYSA-N 1 2 223.251 1.588 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C1(F)CC1 ZINC000843556027 588122944 /nfs/dbraw/zinc/12/29/44/588122944.db2.gz BXKBNXUBMZWWPY-UHFFFAOYSA-N 1 2 219.219 1.775 20 0 BDADLO Cc1cc(NC(=O)C2(C(F)F)CC2)cc[nH+]1 ZINC000843568926 588124285 /nfs/dbraw/zinc/12/42/85/588124285.db2.gz AHKDCXIDXZWWEO-UHFFFAOYSA-N 1 2 226.226 1.796 20 0 BDADLO O=C(NOC1CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844142199 588170228 /nfs/dbraw/zinc/17/02/28/588170228.db2.gz BLPHQRFIUWQQKX-VIFPVBQESA-N 1 2 235.287 1.046 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000844406036 588190542 /nfs/dbraw/zinc/19/05/42/588190542.db2.gz ZEERKGSYUQAPNJ-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)OCC23CCC3)cn1 ZINC000844423978 588191704 /nfs/dbraw/zinc/19/17/04/588191704.db2.gz ZISIBVKHONCLBH-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cn1 ZINC000844423978 588191706 /nfs/dbraw/zinc/19/17/06/588191706.db2.gz ZISIBVKHONCLBH-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO C[C@H](CC(=O)OCc1ccnn1C)n1cc[nH+]c1 ZINC000844435622 588193302 /nfs/dbraw/zinc/19/33/02/588193302.db2.gz FMGYBGLCUQIQTD-SNVBAGLBSA-N 1 2 248.286 1.311 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000844440033 588193548 /nfs/dbraw/zinc/19/35/48/588193548.db2.gz KVNMQZDMUQJVQI-SECBINFHSA-N 1 2 244.245 1.132 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000844440033 588193549 /nfs/dbraw/zinc/19/35/49/588193549.db2.gz KVNMQZDMUQJVQI-SECBINFHSA-N 1 2 244.245 1.132 20 0 BDADLO O=c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)occ1O ZINC000844450315 588195172 /nfs/dbraw/zinc/19/51/72/588195172.db2.gz KOLVLKAVYMFADN-OCAPTIKFSA-N 1 2 243.209 1.042 20 0 BDADLO O=c1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)occ1O ZINC000844450315 588195173 /nfs/dbraw/zinc/19/51/73/588195173.db2.gz KOLVLKAVYMFADN-OCAPTIKFSA-N 1 2 243.209 1.042 20 0 BDADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCC1CCC1 ZINC000844453639 588195976 /nfs/dbraw/zinc/19/59/76/588195976.db2.gz WKTAAKHYHVWOKL-AOOOYVTPSA-N 1 2 244.285 1.100 20 0 BDADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCC1CCC1 ZINC000844453639 588195977 /nfs/dbraw/zinc/19/59/77/588195977.db2.gz WKTAAKHYHVWOKL-AOOOYVTPSA-N 1 2 244.285 1.100 20 0 BDADLO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844457893 588196713 /nfs/dbraw/zinc/19/67/13/588196713.db2.gz MBCUCOIUUWGMFQ-DTORHVGOSA-N 1 2 213.231 1.117 20 0 BDADLO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844457893 588196714 /nfs/dbraw/zinc/19/67/14/588196714.db2.gz MBCUCOIUUWGMFQ-DTORHVGOSA-N 1 2 213.231 1.117 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000844537987 588201288 /nfs/dbraw/zinc/20/12/88/588201288.db2.gz TUYUXWIRKVVZOC-CHWSQXEVSA-N 1 2 247.342 1.863 20 0 BDADLO Cc1nn(C[N@H+]2CCCCC[C@@H]2C)c(=O)n1C ZINC000844696202 588214135 /nfs/dbraw/zinc/21/41/35/588214135.db2.gz ZTVHEZGESLUSSW-JTQLQIEISA-N 1 2 238.335 1.112 20 0 BDADLO Cc1nn(C[N@@H+]2CCCCC[C@@H]2C)c(=O)n1C ZINC000844696202 588214136 /nfs/dbraw/zinc/21/41/36/588214136.db2.gz ZTVHEZGESLUSSW-JTQLQIEISA-N 1 2 238.335 1.112 20 0 BDADLO COCc1cc[nH+]c(NCc2cncnc2)c1 ZINC000844709445 588214831 /nfs/dbraw/zinc/21/48/31/588214831.db2.gz YWOHIYKZIDIRDG-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCCC2=O)[C@H](C)CO1 ZINC000844734254 588215626 /nfs/dbraw/zinc/21/56/26/588215626.db2.gz WGLQCQHUPUPPGC-GHMZBOCLSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCCC2=O)[C@H](C)CO1 ZINC000844734254 588215627 /nfs/dbraw/zinc/21/56/27/588215627.db2.gz WGLQCQHUPUPPGC-GHMZBOCLSA-N 1 2 226.320 1.066 20 0 BDADLO CC[NH2+]Cc1noc(CC2(CSC)CC2)n1 ZINC000844905648 588218822 /nfs/dbraw/zinc/21/88/22/588218822.db2.gz FUNRGLWMJDDEGC-UHFFFAOYSA-N 1 2 241.360 1.865 20 0 BDADLO CCC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280830 588225468 /nfs/dbraw/zinc/22/54/68/588225468.db2.gz GZWUJXNMEUVOKG-VIFPVBQESA-N 1 2 224.260 1.357 20 0 BDADLO C[C@H](CC(=O)OCC1CC1)n1cc[nH+]c1 ZINC000845280744 588225564 /nfs/dbraw/zinc/22/55/64/588225564.db2.gz DKAGPMHOIVAHHV-SECBINFHSA-N 1 2 208.261 1.787 20 0 BDADLO C[C@@H](CC(=O)OCC(F)(F)F)n1cc[nH+]c1 ZINC000845279606 588225587 /nfs/dbraw/zinc/22/55/87/588225587.db2.gz DBISFUZFCZKOAJ-ZETCQYMHSA-N 1 2 236.193 1.940 20 0 BDADLO C[C@H](CC(=O)OC[C@@H](C)CO)n1cc[nH+]c1 ZINC000845286510 588225672 /nfs/dbraw/zinc/22/56/72/588225672.db2.gz XBEDNUTVRVUQQP-VHSXEESVSA-N 1 2 226.276 1.006 20 0 BDADLO C[C@@H](CC(=O)OCCF)n1cc[nH+]c1 ZINC000845283500 588225913 /nfs/dbraw/zinc/22/59/13/588225913.db2.gz DLJSOLOBVBXAHT-QMMMGPOBSA-N 1 2 200.213 1.347 20 0 BDADLO CC(C)CONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845859053 588248268 /nfs/dbraw/zinc/24/82/68/588248268.db2.gz AONCTDJJEZXDEY-JTQLQIEISA-N 1 2 225.292 1.538 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000846088344 588255809 /nfs/dbraw/zinc/25/58/09/588255809.db2.gz XSQPJINMLLATHJ-GHMZBOCLSA-N 1 2 228.336 1.470 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000846086296 588255952 /nfs/dbraw/zinc/25/59/52/588255952.db2.gz NSHVSWGISYALTE-UWVGGRQHSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000846090456 588256071 /nfs/dbraw/zinc/25/60/71/588256071.db2.gz AVJSHRSZKPVEHR-QWRGUYRKSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000846089312 588256226 /nfs/dbraw/zinc/25/62/26/588256226.db2.gz QVWHQGLYIWBNDM-NSHDSACASA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000846090017 588256419 /nfs/dbraw/zinc/25/64/19/588256419.db2.gz BSIIBPZNMZPKHM-GMTAPVOTSA-N 1 2 228.336 1.468 20 0 BDADLO C[C@@H](CC(=O)NOC/C=C\Cl)n1cc[nH+]c1 ZINC000846194985 588259616 /nfs/dbraw/zinc/25/96/16/588259616.db2.gz WOLORPRFVZJDSK-XADBCAIWSA-N 1 2 243.694 1.635 20 0 BDADLO CC(C)ONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846236682 588260593 /nfs/dbraw/zinc/26/05/93/588260593.db2.gz AUQQRUVZRCEHDL-SECBINFHSA-N 1 2 211.265 1.290 20 0 BDADLO CC[N@@H+](Cc1cnsn1)C[C@H]1CCOC1 ZINC000846775519 588287673 /nfs/dbraw/zinc/28/76/73/588287673.db2.gz OSQXNIUNIALFRF-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CC[N@H+](Cc1cnsn1)C[C@H]1CCOC1 ZINC000846775519 588287674 /nfs/dbraw/zinc/28/76/74/588287674.db2.gz OSQXNIUNIALFRF-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO CO[C@@H](C)C[N@H+](Cc1cnsn1)C(C)C ZINC000846805658 588289714 /nfs/dbraw/zinc/28/97/14/588289714.db2.gz FNBFCVZZGJFXQA-VIFPVBQESA-N 1 2 229.349 1.783 20 0 BDADLO CO[C@@H](C)C[N@@H+](Cc1cnsn1)C(C)C ZINC000846805658 588289715 /nfs/dbraw/zinc/28/97/15/588289715.db2.gz FNBFCVZZGJFXQA-VIFPVBQESA-N 1 2 229.349 1.783 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838345 588292235 /nfs/dbraw/zinc/29/22/35/588292235.db2.gz YKRWDMYJZSGSLM-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838345 588292236 /nfs/dbraw/zinc/29/22/36/588292236.db2.gz YKRWDMYJZSGSLM-VXNVDRBHSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cnsn2)C1 ZINC000846856285 588293329 /nfs/dbraw/zinc/29/33/29/588293329.db2.gz AHJBKTNHHAWCDU-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cnsn2)C1 ZINC000846856285 588293330 /nfs/dbraw/zinc/29/33/30/588293330.db2.gz AHJBKTNHHAWCDU-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO c1nsnc1C[N@@H+]1CCC12CCOCC2 ZINC000846874713 588294695 /nfs/dbraw/zinc/29/46/95/588294695.db2.gz ADFYQPWXSKFMAR-UHFFFAOYSA-N 1 2 225.317 1.293 20 0 BDADLO c1nsnc1C[N@H+]1CCC12CCOCC2 ZINC000846874713 588294696 /nfs/dbraw/zinc/29/46/96/588294696.db2.gz ADFYQPWXSKFMAR-UHFFFAOYSA-N 1 2 225.317 1.293 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2cnsn2)C1 ZINC000846884414 588295149 /nfs/dbraw/zinc/29/51/49/588295149.db2.gz HLFXBGUNXUHVFU-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846884414 588295150 /nfs/dbraw/zinc/29/51/50/588295150.db2.gz HLFXBGUNXUHVFU-JTQLQIEISA-N 1 2 227.333 1.539 20 0 BDADLO CC1(C)C(CNC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000846942485 588297670 /nfs/dbraw/zinc/29/76/70/588297670.db2.gz ZEKXCWRLHXLZGT-UHFFFAOYSA-N 1 2 235.331 1.751 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC(F)(F)C1 ZINC000847008063 588301214 /nfs/dbraw/zinc/30/12/14/588301214.db2.gz KMWYSMDLVDISCF-QMMMGPOBSA-N 1 2 243.257 1.504 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]C[C@@H](C)O ZINC000847060550 588305450 /nfs/dbraw/zinc/30/54/50/588305450.db2.gz KLHJAYFDVLNXHE-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000847621883 588318990 /nfs/dbraw/zinc/31/89/90/588318990.db2.gz UUPVWBNYCWKWHN-ZJUUUORDSA-N 1 2 246.314 1.794 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000847621883 588318991 /nfs/dbraw/zinc/31/89/91/588318991.db2.gz UUPVWBNYCWKWHN-ZJUUUORDSA-N 1 2 246.314 1.794 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOCC1CC1 ZINC000848129551 588359252 /nfs/dbraw/zinc/35/92/52/588359252.db2.gz UUPHWRBJXQLOKE-MRVPVSSYSA-N 1 2 223.276 1.046 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOCC1CC1 ZINC000848129551 588359254 /nfs/dbraw/zinc/35/92/54/588359254.db2.gz UUPHWRBJXQLOKE-MRVPVSSYSA-N 1 2 223.276 1.046 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000848387160 588375689 /nfs/dbraw/zinc/37/56/89/588375689.db2.gz LGNNMDPGHIRFCH-NXEZZACHSA-N 1 2 237.303 1.404 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc(=O)[nH]1 ZINC000848387525 588375937 /nfs/dbraw/zinc/37/59/37/588375937.db2.gz VCRDYBZVNGGPPT-MRVPVSSYSA-N 1 2 246.270 1.310 20 0 BDADLO CN(CC[N@H+](C)[C@@H]1CCOC1=O)c1ccccc1 ZINC000107682626 588398873 /nfs/dbraw/zinc/39/88/73/588398873.db2.gz FJUVQRUZNJHONE-CYBMUJFWSA-N 1 2 248.326 1.370 20 0 BDADLO CN(CC[N@@H+](C)[C@@H]1CCOC1=O)c1ccccc1 ZINC000107682626 588398877 /nfs/dbraw/zinc/39/88/77/588398877.db2.gz FJUVQRUZNJHONE-CYBMUJFWSA-N 1 2 248.326 1.370 20 0 BDADLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)NC1CC1 ZINC000849212175 588461330 /nfs/dbraw/zinc/46/13/30/588461330.db2.gz DUXUOZGDWHJLCG-SECBINFHSA-N 1 2 247.298 1.200 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2CC=CC2)C1 ZINC000849734141 588491165 /nfs/dbraw/zinc/49/11/65/588491165.db2.gz AXAOFIKGQUBROO-GFCCVEGCSA-N 1 2 239.315 1.217 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCC2CC=CC2)C1 ZINC000849734141 588491166 /nfs/dbraw/zinc/49/11/66/588491166.db2.gz AXAOFIKGQUBROO-GFCCVEGCSA-N 1 2 239.315 1.217 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCC2CC=CC2)C1 ZINC000849734142 588491337 /nfs/dbraw/zinc/49/13/37/588491337.db2.gz AXAOFIKGQUBROO-LBPRGKRZSA-N 1 2 239.315 1.217 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCC2CC=CC2)C1 ZINC000849734142 588491338 /nfs/dbraw/zinc/49/13/38/588491338.db2.gz AXAOFIKGQUBROO-LBPRGKRZSA-N 1 2 239.315 1.217 20 0 BDADLO Nc1cc(COC(=O)CCCF)cc[nH+]1 ZINC000850195032 588526572 /nfs/dbraw/zinc/52/65/72/588526572.db2.gz VTPLHDXIQXKEDX-UHFFFAOYSA-N 1 2 212.224 1.457 20 0 BDADLO COc1cncc(C[NH2+]C(CF)CF)c1 ZINC000850313184 588536204 /nfs/dbraw/zinc/53/62/04/588536204.db2.gz RGPXZGJZWHBRQN-UHFFFAOYSA-N 1 2 216.231 1.487 20 0 BDADLO CCc1nc(CNCc2[nH]cc(C)[nH+]2)co1 ZINC000850316440 588536592 /nfs/dbraw/zinc/53/65/92/588536592.db2.gz KQORCZILTICJCV-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO COc1cccc(C[NH2+]Cc2cnn(C)n2)c1C ZINC000850417296 588544912 /nfs/dbraw/zinc/54/49/12/588544912.db2.gz ZIXAJZAQYIAFFM-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CC[C@H]2C2CC2)[nH]1 ZINC000850513752 588556196 /nfs/dbraw/zinc/55/61/96/588556196.db2.gz BRTLDXCGSJNRLK-UWVGGRQHSA-N 1 2 236.319 1.229 20 0 BDADLO CCCn1nccc1C(=O)OCc1c[nH+]cn1C ZINC000850869169 588571661 /nfs/dbraw/zinc/57/16/61/588571661.db2.gz NYCHDSXIBRSJCW-UHFFFAOYSA-N 1 2 248.286 1.384 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)OCc2c[nH+]cn2C)C1 ZINC000850869489 588572334 /nfs/dbraw/zinc/57/23/34/588572334.db2.gz WIYKKNHUABKXGC-ONGXEEELSA-N 1 2 238.287 1.278 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1cccc(F)n1 ZINC000851721116 588617148 /nfs/dbraw/zinc/61/71/48/588617148.db2.gz BJRAQWFGPRMGDQ-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(F)n1 ZINC000851721116 588617149 /nfs/dbraw/zinc/61/71/49/588617149.db2.gz BJRAQWFGPRMGDQ-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO CCOC1CC[NH+](Cc2cnon2)CC1 ZINC000851733712 588620073 /nfs/dbraw/zinc/62/00/73/588620073.db2.gz FEFDIQQYDGFATG-UHFFFAOYSA-N 1 2 211.265 1.071 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H]1COC(C)(C)O1 ZINC000851781411 588627522 /nfs/dbraw/zinc/62/75/22/588627522.db2.gz WJXQUXSLZLGBJQ-SNVBAGLBSA-N 1 2 226.276 1.258 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H]1COC(C)(C)O1 ZINC000851781411 588627523 /nfs/dbraw/zinc/62/75/23/588627523.db2.gz WJXQUXSLZLGBJQ-SNVBAGLBSA-N 1 2 226.276 1.258 20 0 BDADLO C[C@H]1OCC[N@H+](CCOC(F)F)[C@H]1C ZINC000851813432 588632401 /nfs/dbraw/zinc/63/24/01/588632401.db2.gz TXWJJFMBLDVIPH-JGVFFNPUSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@H]1OCC[N@@H+](CCOC(F)F)[C@H]1C ZINC000851813432 588632402 /nfs/dbraw/zinc/63/24/02/588632402.db2.gz TXWJJFMBLDVIPH-JGVFFNPUSA-N 1 2 209.236 1.335 20 0 BDADLO C[C@@H](NC(=O)OCC1CC1)c1[nH+]ccn1C ZINC000851856428 588635436 /nfs/dbraw/zinc/63/54/36/588635436.db2.gz QICIEHOVQRXNLS-MRVPVSSYSA-N 1 2 223.276 1.617 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000851870771 588637272 /nfs/dbraw/zinc/63/72/72/588637272.db2.gz JLNSQUIETANABU-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000851870771 588637273 /nfs/dbraw/zinc/63/72/73/588637273.db2.gz JLNSQUIETANABU-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO CCC[C@H]1C[N@H+](CCOC(F)F)CCO1 ZINC000851871081 588637493 /nfs/dbraw/zinc/63/74/93/588637493.db2.gz MNNNEOVCOBRDHB-VIFPVBQESA-N 1 2 223.263 1.727 20 0 BDADLO CCC[C@H]1C[N@@H+](CCOC(F)F)CCO1 ZINC000851871081 588637494 /nfs/dbraw/zinc/63/74/94/588637494.db2.gz MNNNEOVCOBRDHB-VIFPVBQESA-N 1 2 223.263 1.727 20 0 BDADLO CC(C)n1cc(CN(C)Cc2[nH]cc[nH+]2)nn1 ZINC000851873762 588637932 /nfs/dbraw/zinc/63/79/32/588637932.db2.gz MSRLSTVXSDERKW-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000851874547 588637971 /nfs/dbraw/zinc/63/79/71/588637971.db2.gz HQBGLGLPIAHNOF-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000851874547 588637972 /nfs/dbraw/zinc/63/79/72/588637972.db2.gz HQBGLGLPIAHNOF-CYBMUJFWSA-N 1 2 245.326 1.884 20 0 BDADLO CCCOC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000851874414 588638275 /nfs/dbraw/zinc/63/82/75/588638275.db2.gz FSBKOPQCVDBQKA-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CCc1nc([C@H](C)N2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000851876819 588638692 /nfs/dbraw/zinc/63/86/92/588638692.db2.gz OUDPPJOZGYOXQB-UWVGGRQHSA-N 1 2 237.351 1.064 20 0 BDADLO CCc1nc([C@H](C)N2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000851876819 588638693 /nfs/dbraw/zinc/63/86/93/588638693.db2.gz OUDPPJOZGYOXQB-UWVGGRQHSA-N 1 2 237.351 1.064 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000851899520 588641740 /nfs/dbraw/zinc/64/17/40/588641740.db2.gz YXPDPNRJLAMPPK-GFCCVEGCSA-N 1 2 233.271 1.547 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cccc(F)n1)CC2 ZINC000851919945 588643599 /nfs/dbraw/zinc/64/35/99/588643599.db2.gz SMWHEPLUIODUGK-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cccc(F)n1 ZINC000851923844 588644357 /nfs/dbraw/zinc/64/43/57/588644357.db2.gz VOIIAPNKTDDILI-ABKXIKBNSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(F)n1 ZINC000851923844 588644358 /nfs/dbraw/zinc/64/43/58/588644358.db2.gz VOIIAPNKTDDILI-ABKXIKBNSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2COC(C)(C)O2)CCC1=O ZINC000851952101 588647122 /nfs/dbraw/zinc/64/71/22/588647122.db2.gz IHWQNEKHJNXACD-ZJUUUORDSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2COC(C)(C)O2)CCC1=O ZINC000851952101 588647123 /nfs/dbraw/zinc/64/71/23/588647123.db2.gz IHWQNEKHJNXACD-ZJUUUORDSA-N 1 2 227.304 1.049 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2CCOC(F)F ZINC000851956507 588647996 /nfs/dbraw/zinc/64/79/96/588647996.db2.gz GQEIBQNLJBKDNG-JTQLQIEISA-N 1 2 235.230 1.007 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2CCOC(F)F ZINC000851956507 588647997 /nfs/dbraw/zinc/64/79/97/588647997.db2.gz GQEIBQNLJBKDNG-JTQLQIEISA-N 1 2 235.230 1.007 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(F)n1 ZINC000851968407 588649201 /nfs/dbraw/zinc/64/92/01/588649201.db2.gz WJYKVOMYURAYPF-SCZZXKLOSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(F)n1 ZINC000851968407 588649202 /nfs/dbraw/zinc/64/92/02/588649202.db2.gz WJYKVOMYURAYPF-SCZZXKLOSA-N 1 2 228.242 1.125 20 0 BDADLO C[C@H]1CC[N@H+](CCOC(F)F)CC[S@@]1=O ZINC000851985637 588651779 /nfs/dbraw/zinc/65/17/79/588651779.db2.gz OLMSRWNZRQQIQG-AYVTZFPOSA-N 1 2 241.303 1.069 20 0 BDADLO C[C@H]1CC[N@@H+](CCOC(F)F)CC[S@@]1=O ZINC000851985637 588651780 /nfs/dbraw/zinc/65/17/80/588651780.db2.gz OLMSRWNZRQQIQG-AYVTZFPOSA-N 1 2 241.303 1.069 20 0 BDADLO CC1(C)C[N@H+](Cc2cnon2)[C@@H]1[C@@H]1CCCO1 ZINC000852055785 588658211 /nfs/dbraw/zinc/65/82/11/588658211.db2.gz XBWCRYXBRKVSCS-WDEREUQCSA-N 1 2 237.303 1.459 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnon2)[C@@H]1[C@@H]1CCCO1 ZINC000852055785 588658212 /nfs/dbraw/zinc/65/82/12/588658212.db2.gz XBWCRYXBRKVSCS-WDEREUQCSA-N 1 2 237.303 1.459 20 0 BDADLO CO[C@H](C[NH2+][C@@]1(C)CCOC1=O)C1CCC1 ZINC000852062464 588658480 /nfs/dbraw/zinc/65/84/80/588658480.db2.gz FTBCHUFRZKHTIM-PWSUYJOCSA-N 1 2 227.304 1.097 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnon2)CCCO1 ZINC000852094981 588661670 /nfs/dbraw/zinc/66/16/70/588661670.db2.gz RGNFIEXMCMBWCB-LLVKDONJSA-N 1 2 225.292 1.317 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnon2)CCCO1 ZINC000852094981 588661671 /nfs/dbraw/zinc/66/16/71/588661671.db2.gz RGNFIEXMCMBWCB-LLVKDONJSA-N 1 2 225.292 1.317 20 0 BDADLO CCCCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000852188960 588671120 /nfs/dbraw/zinc/67/11/20/588671120.db2.gz RNTTZJJVDYGUGL-UHFFFAOYSA-N 1 2 213.281 1.787 20 0 BDADLO CCCCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000852188960 588671121 /nfs/dbraw/zinc/67/11/21/588671121.db2.gz RNTTZJJVDYGUGL-UHFFFAOYSA-N 1 2 213.281 1.787 20 0 BDADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2CC=C(Cl)Cl ZINC000852212470 588672540 /nfs/dbraw/zinc/67/25/40/588672540.db2.gz AEHZRZJCJHLITR-AXFKMTHZSA-N 1 2 240.155 1.511 20 0 BDADLO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2CC=C(Cl)Cl ZINC000852212470 588672541 /nfs/dbraw/zinc/67/25/41/588672541.db2.gz AEHZRZJCJHLITR-AXFKMTHZSA-N 1 2 240.155 1.511 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000852233445 588674353 /nfs/dbraw/zinc/67/43/53/588674353.db2.gz RUUGJAHODVBGKT-SECBINFHSA-N 1 2 247.302 1.640 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000852233445 588674354 /nfs/dbraw/zinc/67/43/54/588674354.db2.gz RUUGJAHODVBGKT-SECBINFHSA-N 1 2 247.302 1.640 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)o1 ZINC000852299321 588677287 /nfs/dbraw/zinc/67/72/87/588677287.db2.gz UMQHOQHUVBNONU-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO Cc1cnc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)o1 ZINC000852299321 588677288 /nfs/dbraw/zinc/67/72/88/588677288.db2.gz UMQHOQHUVBNONU-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000852310418 588677902 /nfs/dbraw/zinc/67/79/02/588677902.db2.gz RGBPCBNWKPERQS-NSHDSACASA-N 1 2 240.347 1.757 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000852320826 588678464 /nfs/dbraw/zinc/67/84/64/588678464.db2.gz PJVVMTOMWNVTLV-CMPLNLGQSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)n(C)n1 ZINC000852324282 588678911 /nfs/dbraw/zinc/67/89/11/588678911.db2.gz IFJRYCINWVLAFV-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)n(C)n1 ZINC000852324282 588678912 /nfs/dbraw/zinc/67/89/12/588678912.db2.gz IFJRYCINWVLAFV-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@@H]1CCOC1=O)CC2 ZINC000852403957 588680888 /nfs/dbraw/zinc/68/08/88/588680888.db2.gz JZVISBDXWUNNRY-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1=O)CC2 ZINC000852403957 588680889 /nfs/dbraw/zinc/68/08/89/588680889.db2.gz JZVISBDXWUNNRY-CYBMUJFWSA-N 1 2 231.295 1.669 20 0 BDADLO COCC[N@H+](CCF)Cc1conc1C ZINC000852479316 588683137 /nfs/dbraw/zinc/68/31/37/588683137.db2.gz CCOILFIZNCZKDM-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO COCC[N@@H+](CCF)Cc1conc1C ZINC000852479316 588683138 /nfs/dbraw/zinc/68/31/38/588683138.db2.gz CCOILFIZNCZKDM-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC(=O)C(C)(C)C)o1 ZINC000852471543 588683321 /nfs/dbraw/zinc/68/33/21/588683321.db2.gz VBXAIUXSVIZCFM-UHFFFAOYSA-N 1 2 239.319 1.815 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC(=O)C(C)(C)C)o1 ZINC000852471543 588683322 /nfs/dbraw/zinc/68/33/22/588683322.db2.gz VBXAIUXSVIZCFM-UHFFFAOYSA-N 1 2 239.319 1.815 20 0 BDADLO COCC[N@H+](CCF)C[C@@H](O)c1ccccn1 ZINC000852480760 588684066 /nfs/dbraw/zinc/68/40/66/588684066.db2.gz VLKCQWPMNMBKSM-GFCCVEGCSA-N 1 2 242.294 1.033 20 0 BDADLO COCC[N@@H+](CCF)C[C@@H](O)c1ccccn1 ZINC000852480760 588684067 /nfs/dbraw/zinc/68/40/67/588684067.db2.gz VLKCQWPMNMBKSM-GFCCVEGCSA-N 1 2 242.294 1.033 20 0 BDADLO COCC[N@H+](CCF)Cc1ccnc(OC)c1 ZINC000852481925 588684683 /nfs/dbraw/zinc/68/46/83/588684683.db2.gz VACDRPNXBAJOGT-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccnc(OC)c1 ZINC000852481925 588684684 /nfs/dbraw/zinc/68/46/84/588684684.db2.gz VACDRPNXBAJOGT-UHFFFAOYSA-N 1 2 242.294 1.508 20 0 BDADLO O[C@]1(C2CC2)CCC[N@H+](Cc2cnsn2)C1 ZINC000852501579 588686294 /nfs/dbraw/zinc/68/62/94/588686294.db2.gz PKUBBLJFAVIHTA-LLVKDONJSA-N 1 2 239.344 1.275 20 0 BDADLO O[C@]1(C2CC2)CCC[N@@H+](Cc2cnsn2)C1 ZINC000852501579 588686295 /nfs/dbraw/zinc/68/62/95/588686295.db2.gz PKUBBLJFAVIHTA-LLVKDONJSA-N 1 2 239.344 1.275 20 0 BDADLO CCn1ncc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000852517108 588687656 /nfs/dbraw/zinc/68/76/56/588687656.db2.gz YPPKPFXIVLRZGR-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1ncc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000852517108 588687657 /nfs/dbraw/zinc/68/76/57/588687657.db2.gz YPPKPFXIVLRZGR-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO C[C@@]12COC[C@H]1C[N@H+](Cc1cnsn1)C2 ZINC000852535484 588688931 /nfs/dbraw/zinc/68/89/31/588688931.db2.gz FCISPGXVWUIECT-PSASIEDQSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@@]12COC[C@H]1C[N@@H+](Cc1cnsn1)C2 ZINC000852535484 588688932 /nfs/dbraw/zinc/68/89/32/588688932.db2.gz FCISPGXVWUIECT-PSASIEDQSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000852559873 588690198 /nfs/dbraw/zinc/69/01/98/588690198.db2.gz MHXIPDYOGHDUOS-NKWVEPMBSA-N 1 2 229.217 1.732 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000852559873 588690199 /nfs/dbraw/zinc/69/01/99/588690199.db2.gz MHXIPDYOGHDUOS-NKWVEPMBSA-N 1 2 229.217 1.732 20 0 BDADLO CC(C)(C)C(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000852698086 588696639 /nfs/dbraw/zinc/69/66/39/588696639.db2.gz LPQLSLQHNJVWFD-UHFFFAOYSA-N 1 2 247.342 1.840 20 0 BDADLO CC(C)(C)C(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000852698086 588696640 /nfs/dbraw/zinc/69/66/40/588696640.db2.gz LPQLSLQHNJVWFD-UHFFFAOYSA-N 1 2 247.342 1.840 20 0 BDADLO C[N@@H+](Cc1cnon1)CC1=CCSC1 ZINC000852747696 588699297 /nfs/dbraw/zinc/69/92/97/588699297.db2.gz UHUMHEOCXJKGJM-UHFFFAOYSA-N 1 2 211.290 1.175 20 0 BDADLO C[N@H+](Cc1cnon1)CC1=CCSC1 ZINC000852747696 588699298 /nfs/dbraw/zinc/69/92/98/588699298.db2.gz UHUMHEOCXJKGJM-UHFFFAOYSA-N 1 2 211.290 1.175 20 0 BDADLO CCC(=O)CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000852784399 588702071 /nfs/dbraw/zinc/70/20/71/588702071.db2.gz KTHJDERWIHZZDO-NSHDSACASA-N 1 2 235.274 1.712 20 0 BDADLO CCC(=O)CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000852784399 588702072 /nfs/dbraw/zinc/70/20/72/588702072.db2.gz KTHJDERWIHZZDO-NSHDSACASA-N 1 2 235.274 1.712 20 0 BDADLO CC[C@H](NC(=O)Cn1nccc1C)c1[nH]cc[nH+]1 ZINC000860889080 589126153 /nfs/dbraw/zinc/12/61/53/589126153.db2.gz NORCVSGBILJOGA-JTQLQIEISA-N 1 2 247.302 1.182 20 0 BDADLO Cc1c(C[N@H+]2CCOC[C@H]2C)ccnc1F ZINC000862226373 589195574 /nfs/dbraw/zinc/19/55/74/589195574.db2.gz BWAQGWZRTFXXIE-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(C[N@@H+]2CCOC[C@H]2C)ccnc1F ZINC000862226373 589195575 /nfs/dbraw/zinc/19/55/75/589195575.db2.gz BWAQGWZRTFXXIE-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(F)nccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000862242552 589196190 /nfs/dbraw/zinc/19/61/90/589196190.db2.gz JKLAJCVOQOHLAL-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1c(F)nccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000862242552 589196191 /nfs/dbraw/zinc/19/61/91/589196191.db2.gz JKLAJCVOQOHLAL-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1c(F)nccc1C[NH2+]C(CF)CF ZINC000862382338 589206320 /nfs/dbraw/zinc/20/63/20/589206320.db2.gz RPXYZGPXFBGLRQ-UHFFFAOYSA-N 1 2 218.222 1.926 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccns1 ZINC000862408830 589210146 /nfs/dbraw/zinc/21/01/46/589210146.db2.gz IVCAJIHXCIPGJN-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO CCC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)OCC ZINC000862415880 589211418 /nfs/dbraw/zinc/21/14/18/589211418.db2.gz JXEIOWCVSFHPDK-SNVBAGLBSA-N 1 2 239.319 1.274 20 0 BDADLO CCOC1CC(O[NH+]=C(N)[C@@H](C)OC)C1 ZINC000863458702 589289951 /nfs/dbraw/zinc/28/99/51/589289951.db2.gz DHXCCEXTPHRZJQ-AFPNSQJFSA-N 1 2 216.281 1.087 20 0 BDADLO COc1cccc([C@@H]([NH3+])c2nc(N(C)C)no2)c1 ZINC000863664816 589308733 /nfs/dbraw/zinc/30/87/33/589308733.db2.gz BPTQFTBMZWLVIC-SNVBAGLBSA-N 1 2 248.286 1.192 20 0 BDADLO CC(C)(NC(=O)CCc1cn[nH]c1)c1[nH]cc[nH+]1 ZINC000863924838 589326947 /nfs/dbraw/zinc/32/69/47/589326947.db2.gz NZWFZONFXHZODU-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864384913 589357182 /nfs/dbraw/zinc/35/71/82/589357182.db2.gz IGIPIKUTISHNQW-VHSXEESVSA-N 1 2 248.317 1.878 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864384913 589357184 /nfs/dbraw/zinc/35/71/84/589357184.db2.gz IGIPIKUTISHNQW-VHSXEESVSA-N 1 2 248.317 1.878 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000864604116 589382431 /nfs/dbraw/zinc/38/24/31/589382431.db2.gz NKTSUZYRSZGQAX-RYPBNFRJSA-N 1 2 224.329 1.498 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCCSC ZINC000120332174 589404744 /nfs/dbraw/zinc/40/47/44/589404744.db2.gz FUPMBJCVUNWYFV-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCCSC ZINC000120332174 589404745 /nfs/dbraw/zinc/40/47/45/589404745.db2.gz FUPMBJCVUNWYFV-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865011422 589404995 /nfs/dbraw/zinc/40/49/95/589404995.db2.gz AJLQHKFQASSBSV-MNOVXSKESA-N 1 2 237.303 1.090 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)c(C)o1 ZINC000120355248 589405542 /nfs/dbraw/zinc/40/55/42/589405542.db2.gz SFQWZNWESXKERG-UHFFFAOYSA-N 1 2 236.315 1.607 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC2CC2)c(C)o1 ZINC000120355248 589405544 /nfs/dbraw/zinc/40/55/44/589405544.db2.gz SFQWZNWESXKERG-UHFFFAOYSA-N 1 2 236.315 1.607 20 0 BDADLO CCCN(C)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000865046561 589406208 /nfs/dbraw/zinc/40/62/08/589406208.db2.gz XJZYDGBESNFKOF-UHFFFAOYSA-N 1 2 249.289 1.884 20 0 BDADLO CC(C)CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)C ZINC000865082161 589408216 /nfs/dbraw/zinc/40/82/16/589408216.db2.gz PWEXDXHRXQSNJU-LLVKDONJSA-N 1 2 239.319 1.336 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000865092423 589408718 /nfs/dbraw/zinc/40/87/18/589408718.db2.gz PZSRWSRSFJVXMT-ZQJWYQMXSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000865092423 589408719 /nfs/dbraw/zinc/40/87/19/589408719.db2.gz PZSRWSRSFJVXMT-ZQJWYQMXSA-N 1 2 244.310 1.087 20 0 BDADLO CCn1c[nH+]cc1CNc1cncc(OC)c1 ZINC000865294344 589420432 /nfs/dbraw/zinc/42/04/32/589420432.db2.gz IYJXLQWZEACHHC-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO O=C1OCC[C@H]1CC[N@@H+](CC(F)F)C1CC1 ZINC000120511432 589423094 /nfs/dbraw/zinc/42/30/94/589423094.db2.gz BKXWBWPMXNRZGD-MRVPVSSYSA-N 1 2 233.258 1.669 20 0 BDADLO O=C1OCC[C@H]1CC[N@H+](CC(F)F)C1CC1 ZINC000120511432 589423096 /nfs/dbraw/zinc/42/30/96/589423096.db2.gz BKXWBWPMXNRZGD-MRVPVSSYSA-N 1 2 233.258 1.669 20 0 BDADLO Cc1nonc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375760 589428151 /nfs/dbraw/zinc/42/81/51/589428151.db2.gz NJGIBTWVKXXWMY-UHFFFAOYSA-N 1 2 220.276 1.920 20 0 BDADLO CC(C)OC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376375 589428434 /nfs/dbraw/zinc/42/84/34/589428434.db2.gz LCSWHKLBRSQGOY-LLVKDONJSA-N 1 2 240.347 1.967 20 0 BDADLO Cn1ccc(Cn2c[nH+]c(C(C)(C)C)c2)cc1=O ZINC000865375360 589428460 /nfs/dbraw/zinc/42/84/60/589428460.db2.gz JDHNLGDLMCEHCM-UHFFFAOYSA-N 1 2 245.326 1.928 20 0 BDADLO CCn1nncc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376424 589428477 /nfs/dbraw/zinc/42/84/77/589428477.db2.gz MRWBMOMEXXGWEM-UHFFFAOYSA-N 1 2 233.319 1.840 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccoc2C)nn1 ZINC000865426384 589434821 /nfs/dbraw/zinc/43/48/21/589434821.db2.gz NBVNHQXYRDAPQQ-UHFFFAOYSA-N 1 2 234.303 1.879 20 0 BDADLO Cn1ncc2cc(C[NH2+]Cc3ccon3)cnc21 ZINC000865481761 589440142 /nfs/dbraw/zinc/44/01/42/589440142.db2.gz UYKQIEDUEYSCCB-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nc2cnccc2n1C ZINC000865541833 589444800 /nfs/dbraw/zinc/44/48/00/589444800.db2.gz MVOUPYMVBMLGHV-UHFFFAOYSA-N 1 2 242.286 1.328 20 0 BDADLO CCCn1cc(CNc2ccc(CO)c[nH+]2)nn1 ZINC000865571512 589448279 /nfs/dbraw/zinc/44/82/79/589448279.db2.gz DDJCLRNWSXBCQX-UHFFFAOYSA-N 1 2 247.302 1.188 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H](CO)CC2CC2)[nH+]c1 ZINC000865640466 589453782 /nfs/dbraw/zinc/45/37/82/589453782.db2.gz JBGHKCCBHHQORH-SKDRFNHKSA-N 1 2 236.315 1.708 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865678216 589455922 /nfs/dbraw/zinc/45/59/22/589455922.db2.gz AQHHDVQWEHPTLJ-UHFFFAOYSA-N 1 2 232.287 1.804 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H]2CCCC[C@@H]2O)[nH+]c1 ZINC000865690645 589456000 /nfs/dbraw/zinc/45/60/00/589456000.db2.gz KKKJVBBWEDYMDA-USWWRNFRSA-N 1 2 236.315 1.850 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865716632 589458207 /nfs/dbraw/zinc/45/82/07/589458207.db2.gz CCCRAZKATFIYHJ-IVZWLZJFSA-N 1 2 224.304 1.970 20 0 BDADLO COc1nccnc1C[NH2+]Cc1ccnc(F)c1 ZINC000865722121 589458542 /nfs/dbraw/zinc/45/85/42/589458542.db2.gz DJPFFDPRHLNETB-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO Cc1cc(NC(=O)C2(F)CCOCC2)cc[nH+]1 ZINC000865742167 589460130 /nfs/dbraw/zinc/46/01/30/589460130.db2.gz WCEKITJHGQRSIY-UHFFFAOYSA-N 1 2 238.262 1.269 20 0 BDADLO Cn1cc(C(F)F)c(C[NH2+]CC2(F)CC2)n1 ZINC000865806784 589462292 /nfs/dbraw/zinc/46/22/92/589462292.db2.gz CWHQJABPUYAJQN-UHFFFAOYSA-N 1 2 233.237 1.949 20 0 BDADLO Cn1c[nH+]c(CNc2ccn(CCF)n2)c1 ZINC000865836040 589463982 /nfs/dbraw/zinc/46/39/82/589463982.db2.gz OTHDZARHRRRRQG-UHFFFAOYSA-N 1 2 223.255 1.198 20 0 BDADLO CCCn1cc(C[NH2+][C@H](C)c2ccnn2C)nn1 ZINC000865838622 589464464 /nfs/dbraw/zinc/46/44/64/589464464.db2.gz YSDWWVMYSFUWTF-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO CCn1ccc(CNc2ccc([C@@H](C)O)c[nH+]2)n1 ZINC000865874794 589466636 /nfs/dbraw/zinc/46/66/36/589466636.db2.gz IWXRNNBITSCWFQ-SNVBAGLBSA-N 1 2 246.314 1.963 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874678 589466645 /nfs/dbraw/zinc/46/66/45/589466645.db2.gz GRFCKDPJAWDKMZ-CYBMUJFWSA-N 1 2 237.347 1.749 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)[C@]12C[C@H]1CCCC2 ZINC000865878704 589466888 /nfs/dbraw/zinc/46/68/88/589466888.db2.gz XFFFGOMZAGOZQN-BXUZGUMPSA-N 1 2 245.326 1.847 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)[C@@]12C[C@@H]1CCCC2 ZINC000865878705 589467105 /nfs/dbraw/zinc/46/71/05/589467105.db2.gz XFFFGOMZAGOZQN-FZMZJTMJSA-N 1 2 245.326 1.847 20 0 BDADLO C[C@H](O)c1ccc(NCC2(CC(N)=O)CC2)[nH+]c1 ZINC000865883040 589467209 /nfs/dbraw/zinc/46/72/09/589467209.db2.gz FSDYBYUGBXABDU-VIFPVBQESA-N 1 2 249.314 1.202 20 0 BDADLO CCCCc1cc(NCCN(C)OC)nc[nH+]1 ZINC000865923528 589468795 /nfs/dbraw/zinc/46/87/95/589468795.db2.gz PJXPQGLWNJXAOY-UHFFFAOYSA-N 1 2 238.335 1.724 20 0 BDADLO FCC[N@@H+]1CCC[C@H](Nc2nccnc2F)C1 ZINC000865927688 589469110 /nfs/dbraw/zinc/46/91/10/589469110.db2.gz FVOSEFFMVBBIFI-VIFPVBQESA-N 1 2 242.273 1.462 20 0 BDADLO FCC[N@H+]1CCC[C@H](Nc2nccnc2F)C1 ZINC000865927688 589469111 /nfs/dbraw/zinc/46/91/11/589469111.db2.gz FVOSEFFMVBBIFI-VIFPVBQESA-N 1 2 242.273 1.462 20 0 BDADLO CC(C)Cc1cc(NC/C=C/CO)nc[nH+]1 ZINC000865936680 589469149 /nfs/dbraw/zinc/46/91/49/589469149.db2.gz OSEZYEDJVXREKN-ONEGZZNKSA-N 1 2 221.304 1.636 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]2CCC[C@H]21 ZINC000866097416 589475982 /nfs/dbraw/zinc/47/59/82/589475982.db2.gz JVIMJOIUCTXNQN-YUSALJHKSA-N 1 2 249.314 1.234 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H](O)[C@@H](C)O)c1Cl ZINC000866110201 589476847 /nfs/dbraw/zinc/47/68/47/589476847.db2.gz MMBGUJAQASZULQ-HTQZYQBOSA-N 1 2 230.695 1.197 20 0 BDADLO Cc1cc(N2CC[C@H]3CSC[C@H]3C2)nc[nH+]1 ZINC000866200257 589479613 /nfs/dbraw/zinc/47/96/13/589479613.db2.gz GDYRNCPNIZYEOE-WDEREUQCSA-N 1 2 235.356 1.974 20 0 BDADLO Cc1cc(N2CC[C@@H]3CSC[C@H]3C2)nc[nH+]1 ZINC000866200252 589479644 /nfs/dbraw/zinc/47/96/44/589479644.db2.gz GDYRNCPNIZYEOE-GHMZBOCLSA-N 1 2 235.356 1.974 20 0 BDADLO COC/C=C\C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000866421731 589492307 /nfs/dbraw/zinc/49/23/07/589492307.db2.gz YCYVPNKRDYACET-IHWYPQMZSA-N 1 2 249.314 1.318 20 0 BDADLO COC/C=C\C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000866421731 589492308 /nfs/dbraw/zinc/49/23/08/589492308.db2.gz YCYVPNKRDYACET-IHWYPQMZSA-N 1 2 249.314 1.318 20 0 BDADLO C[C@H](N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1(C)CC1 ZINC000866438129 589492669 /nfs/dbraw/zinc/49/26/69/589492669.db2.gz BVSOZYMEDPZQLW-WPRPVWTQSA-N 1 2 237.303 1.090 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cncn1C ZINC000866644517 589507062 /nfs/dbraw/zinc/50/70/62/589507062.db2.gz WCCHJWVSZHFOKC-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO C[C@@H]1CCCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867491294 589522413 /nfs/dbraw/zinc/52/24/13/589522413.db2.gz PBBSCRKKRVXDKK-KOLCDFICSA-N 1 2 237.303 1.092 20 0 BDADLO C[C@H]1CCCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867491293 589522656 /nfs/dbraw/zinc/52/26/56/589522656.db2.gz PBBSCRKKRVXDKK-GXSJLCMTSA-N 1 2 237.303 1.092 20 0 BDADLO Cn1cnn(C[N@@H+]2CCC3(CCC3)C2)c1=S ZINC000121912020 589538628 /nfs/dbraw/zinc/53/86/28/589538628.db2.gz ZLMVSTPPBQDQGB-UHFFFAOYSA-N 1 2 238.360 1.785 20 0 BDADLO Cn1cnn(C[N@H+]2CCC3(CCC3)C2)c1=S ZINC000121912020 589538630 /nfs/dbraw/zinc/53/86/30/589538630.db2.gz ZLMVSTPPBQDQGB-UHFFFAOYSA-N 1 2 238.360 1.785 20 0 BDADLO CC(C)OC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867900002 589539056 /nfs/dbraw/zinc/53/90/56/589539056.db2.gz XIUJYUNQZNBAQA-UHFFFAOYSA-N 1 2 249.314 1.878 20 0 BDADLO Cc1cnc(F)c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000868413637 589557005 /nfs/dbraw/zinc/55/70/05/589557005.db2.gz WJTNGEBVXHMIFY-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868619675 589568166 /nfs/dbraw/zinc/56/81/66/589568166.db2.gz IHDYZKDVWWHUTG-YBXAARCKSA-N 1 2 245.326 1.736 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868619673 589568465 /nfs/dbraw/zinc/56/84/65/589568465.db2.gz IHDYZKDVWWHUTG-IIRVCBMXSA-N 1 2 245.326 1.736 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000868662955 589571602 /nfs/dbraw/zinc/57/16/02/589571602.db2.gz WDZSZKHXXJFTPW-WRWGMCAJSA-N 1 2 247.342 1.811 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000868698045 589573283 /nfs/dbraw/zinc/57/32/83/589573283.db2.gz DXWFELRPNGFRQI-DZJCZGPWSA-N 1 2 245.326 1.216 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@]12C[C@@H]1CCCC2 ZINC000868699640 589573722 /nfs/dbraw/zinc/57/37/22/589573722.db2.gz XTSNONKUJJFHGI-WDMOLILDSA-N 1 2 245.326 1.504 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868812743 589577884 /nfs/dbraw/zinc/57/78/84/589577884.db2.gz KEIDQOWWLRHGMN-SCZZXKLOSA-N 1 2 237.303 1.233 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868878421 589580856 /nfs/dbraw/zinc/58/08/56/589580856.db2.gz DYSBTWOASIRWFA-WPRPVWTQSA-N 1 2 237.303 1.090 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCCCC1 ZINC000122424423 589589156 /nfs/dbraw/zinc/58/91/56/589589156.db2.gz HJNDFHLRKPSWCQ-UHFFFAOYSA-N 1 2 222.292 1.116 20 0 BDADLO CN(C(=O)/C=C\C[NH+]1CCOCC1)C(C)(C)C ZINC000869115478 589589278 /nfs/dbraw/zinc/58/92/78/589589278.db2.gz RXMMXXGZYQTGLE-WAYWQWQTSA-N 1 2 240.347 1.132 20 0 BDADLO CC[C@H](C)N(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869222825 589592680 /nfs/dbraw/zinc/59/26/80/589592680.db2.gz KKNFNNZPEFCAOE-WPRPVWTQSA-N 1 2 225.292 1.090 20 0 BDADLO CC(C)OC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000869972371 589640477 /nfs/dbraw/zinc/64/04/77/589640477.db2.gz FYEIUBCGZRLQEE-UHFFFAOYSA-N 1 2 236.246 1.968 20 0 BDADLO C[C@@H](CC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000871091590 589723551 /nfs/dbraw/zinc/72/35/51/589723551.db2.gz ZOIMTFCHMPJLEG-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO COC(=O)Cc1ccccc1C[NH+]1CCOCC1 ZINC000123493922 589733313 /nfs/dbraw/zinc/73/33/13/589733313.db2.gz NJEXNHMQKQXCOW-UHFFFAOYSA-N 1 2 249.310 1.234 20 0 BDADLO COC(C)(C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000871258626 589752026 /nfs/dbraw/zinc/75/20/26/589752026.db2.gz RWACNXWZQNXUQL-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO COC(C)(C)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000871258626 589752029 /nfs/dbraw/zinc/75/20/29/589752029.db2.gz RWACNXWZQNXUQL-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO C[N@H+](C/C=C/Cl)CC(C)(C)S(C)(=O)=O ZINC000123638880 589759188 /nfs/dbraw/zinc/75/91/88/589759188.db2.gz LJJGCGJYCIEPCW-AATRIKPKSA-N 1 2 239.768 1.494 20 0 BDADLO C[N@@H+](C/C=C/Cl)CC(C)(C)S(C)(=O)=O ZINC000123638880 589759191 /nfs/dbraw/zinc/75/91/91/589759191.db2.gz LJJGCGJYCIEPCW-AATRIKPKSA-N 1 2 239.768 1.494 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871522267 589765111 /nfs/dbraw/zinc/76/51/11/589765111.db2.gz XIFYUHHUHNPHGE-TXEJJXNPSA-N 1 2 245.326 1.767 20 0 BDADLO C[C@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccccc1 ZINC000871718874 589798167 /nfs/dbraw/zinc/79/81/67/589798167.db2.gz NZIVEEXFQVWTQD-ZYHUDNBSSA-N 1 2 234.299 1.958 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC1CC(CF)(CF)C1 ZINC000871735736 589798339 /nfs/dbraw/zinc/79/83/39/589798339.db2.gz WUKYKUGMBNZTMA-ZETCQYMHSA-N 1 2 236.262 1.608 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCC1CC1 ZINC000871731413 589799980 /nfs/dbraw/zinc/79/99/80/589799980.db2.gz OZLODIPZMNHFLJ-UHFFFAOYSA-N 1 2 241.335 1.590 20 0 BDADLO C[C@H]1OCC[C@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000871737312 589802169 /nfs/dbraw/zinc/80/21/69/589802169.db2.gz FCFAKDLPCLEGEN-PWSUYJOCSA-N 1 2 249.314 1.548 20 0 BDADLO CO[C@H]1C[C@@H](CO[NH+]=C(N)COC2CCC2)C1 ZINC000871778900 589814665 /nfs/dbraw/zinc/81/46/65/589814665.db2.gz XDNNEFNSAJUTMP-JGZJWPJOSA-N 1 2 242.319 1.479 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1C[C@H](SC)C1)C1CC1 ZINC000871917418 589832396 /nfs/dbraw/zinc/83/23/96/589832396.db2.gz YJLHVQGPQQTOIG-GUBZILKMSA-N 1 2 229.345 1.422 20 0 BDADLO Cc1nonc1CN[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000872135244 589878594 /nfs/dbraw/zinc/87/85/94/589878594.db2.gz CUGRLLKSSTYDSH-LLVKDONJSA-N 1 2 247.302 1.352 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872294802 589907537 /nfs/dbraw/zinc/90/75/37/589907537.db2.gz BJDMJEXMZSLXEE-JQWIXIFHSA-N 1 2 245.326 1.516 20 0 BDADLO CN1CCN(C(=O)C(F)F)Cc2ccc[nH+]c21 ZINC000872295917 589907637 /nfs/dbraw/zinc/90/76/37/589907637.db2.gz KKZDTABHUHTMOG-UHFFFAOYSA-N 1 2 241.241 1.125 20 0 BDADLO O=C1N(C[N@H+]2CC=CCC2)C[C@H]2CCCCN12 ZINC000872596917 589955295 /nfs/dbraw/zinc/95/52/95/589955295.db2.gz NQNLWLBSJIPMOB-GFCCVEGCSA-N 1 2 235.331 1.496 20 0 BDADLO O=C1N(C[N@@H+]2CC=CCC2)C[C@H]2CCCCN12 ZINC000872596917 589955296 /nfs/dbraw/zinc/95/52/96/589955296.db2.gz NQNLWLBSJIPMOB-GFCCVEGCSA-N 1 2 235.331 1.496 20 0 BDADLO CCCOC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000872644837 589958004 /nfs/dbraw/zinc/95/80/04/589958004.db2.gz KJRRSJQWMUPVNI-NSHDSACASA-N 1 2 244.335 1.233 20 0 BDADLO CCCOC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000872644837 589958007 /nfs/dbraw/zinc/95/80/07/589958007.db2.gz KJRRSJQWMUPVNI-NSHDSACASA-N 1 2 244.335 1.233 20 0 BDADLO Cc1nc(NCCC[C@@H]2CCOC2=O)cc[nH+]1 ZINC000872703850 589963675 /nfs/dbraw/zinc/96/36/75/589963675.db2.gz LUVRFPJFJMFUDT-SNVBAGLBSA-N 1 2 235.287 1.540 20 0 BDADLO O[C@H]1C[C@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000872719359 589964858 /nfs/dbraw/zinc/96/48/58/589964858.db2.gz NJHNUWZLSAAZKL-MGCOHNPYSA-N 1 2 229.283 1.235 20 0 BDADLO CC(C)(C)c1nc(NC[C@H]2C[C@H](O)C2)cc[nH+]1 ZINC000872719271 589964990 /nfs/dbraw/zinc/96/49/90/589964990.db2.gz IJCYKXUCHPZYMM-MGCOHNPYSA-N 1 2 235.331 1.957 20 0 BDADLO CO[C@@H](C[NH2+]Cc1ccon1)C(F)(F)F ZINC000873050620 589981459 /nfs/dbraw/zinc/98/14/59/589981459.db2.gz YTWMEQILQUHQFL-ZETCQYMHSA-N 1 2 224.182 1.342 20 0 BDADLO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ccon1 ZINC000873127478 589985327 /nfs/dbraw/zinc/98/53/27/589985327.db2.gz OLOWCOOZTUSIFL-WCQYABFASA-N 1 2 246.266 1.259 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)nn1C ZINC000873186518 589990522 /nfs/dbraw/zinc/99/05/22/589990522.db2.gz PXPAYORPLSDGHZ-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnc(N)cn2)sc1C ZINC000873211559 589996336 /nfs/dbraw/zinc/99/63/36/589996336.db2.gz CGNVMCLVFNYREX-UHFFFAOYSA-N 1 2 249.343 1.422 20 0 BDADLO Cc1csc(C[NH2+]Cc2cnc(N)cn2)n1 ZINC000873212014 589996688 /nfs/dbraw/zinc/99/66/88/589996688.db2.gz WMZNWULAEICMJE-UHFFFAOYSA-N 1 2 235.316 1.114 20 0 BDADLO CC[C@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(C)=O ZINC000873393400 590037357 /nfs/dbraw/zinc/03/73/57/590037357.db2.gz NUCACRZCIQLBOS-NSHDSACASA-N 1 2 241.331 1.772 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1cccc(F)c1F ZINC000874238480 590097543 /nfs/dbraw/zinc/09/75/43/590097543.db2.gz HWPFVONQDYDUBX-UHFFFAOYSA-N 1 2 240.253 1.999 20 0 BDADLO CCC[C@H](CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000874456298 590112430 /nfs/dbraw/zinc/11/24/30/590112430.db2.gz FIBBZOGUJRNGJY-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2nccnc2C)c[nH+]1 ZINC000874664392 590122299 /nfs/dbraw/zinc/12/22/99/590122299.db2.gz IZXVZJRWCMNHAQ-MRVPVSSYSA-N 1 2 245.286 1.308 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C ZINC000874699644 590124512 /nfs/dbraw/zinc/12/45/12/590124512.db2.gz KVQFGAFRTUGSFB-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C ZINC000874699644 590124514 /nfs/dbraw/zinc/12/45/14/590124514.db2.gz KVQFGAFRTUGSFB-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000874776357 590128790 /nfs/dbraw/zinc/12/87/90/590128790.db2.gz AHGATEOUBOUVBA-QWRGUYRKSA-N 1 2 245.326 1.504 20 0 BDADLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CC(F)(F)C1 ZINC000874852270 590146963 /nfs/dbraw/zinc/14/69/63/590146963.db2.gz DBOKVEVYCVGQAU-UHFFFAOYSA-N 1 2 229.230 1.256 20 0 BDADLO C[N@@H+]1CC[C@@H](C(=O)NOc2ccccc2F)C1 ZINC000874909579 590154129 /nfs/dbraw/zinc/15/41/29/590154129.db2.gz FLROZIWIXDALEP-SECBINFHSA-N 1 2 238.262 1.187 20 0 BDADLO C[N@H+]1CC[C@@H](C(=O)NOc2ccccc2F)C1 ZINC000874909579 590154131 /nfs/dbraw/zinc/15/41/31/590154131.db2.gz FLROZIWIXDALEP-SECBINFHSA-N 1 2 238.262 1.187 20 0 BDADLO CCCNc1cc(N(C)[C@H](C)CO)nc[nH+]1 ZINC000125606115 590173327 /nfs/dbraw/zinc/17/33/27/590173327.db2.gz XZHJPZPSEBIJCV-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CCCNc1cc(N(C)[C@H](C)CO)[nH+]cn1 ZINC000125606115 590173328 /nfs/dbraw/zinc/17/33/28/590173328.db2.gz XZHJPZPSEBIJCV-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC2(CC2)C1 ZINC000888694242 590184374 /nfs/dbraw/zinc/18/43/74/590184374.db2.gz SQTYPAPZZNTRLB-LLVKDONJSA-N 1 2 233.315 1.722 20 0 BDADLO CCCn1cc(C[N@H+](CC)CCOC)nn1 ZINC000876568026 590217000 /nfs/dbraw/zinc/21/70/00/590217000.db2.gz DEOONKYYNZJOTD-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCCn1cc(C[N@@H+](CC)CCOC)nn1 ZINC000876568026 590217002 /nfs/dbraw/zinc/21/70/02/590217002.db2.gz DEOONKYYNZJOTD-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO O[C@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876589302 590219301 /nfs/dbraw/zinc/21/93/01/590219301.db2.gz JPEZZKZONFDTRB-ZETCQYMHSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000876589302 590219302 /nfs/dbraw/zinc/21/93/02/590219302.db2.gz JPEZZKZONFDTRB-ZETCQYMHSA-N 1 2 247.125 1.955 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CC[C@@H](OC)C2)c1 ZINC000876750223 590238387 /nfs/dbraw/zinc/23/83/87/590238387.db2.gz OSSHYHAFCHWDED-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CC[C@@H](OC)C2)c1 ZINC000876750223 590238389 /nfs/dbraw/zinc/23/83/89/590238389.db2.gz OSSHYHAFCHWDED-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO CCNC(=O)C[NH2+]Cc1nc(Cl)cs1 ZINC000877142799 590291718 /nfs/dbraw/zinc/29/17/18/590291718.db2.gz WKKGJEZKSPOZAZ-UHFFFAOYSA-N 1 2 233.724 1.022 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nc(Cl)cs1 ZINC000877320875 590315202 /nfs/dbraw/zinc/31/52/02/590315202.db2.gz ZZMANCVQPPGFMD-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877320875 590315203 /nfs/dbraw/zinc/31/52/03/590315203.db2.gz ZZMANCVQPPGFMD-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)C(=O)OCC(C)C)C1CC1 ZINC000877469157 590334105 /nfs/dbraw/zinc/33/41/05/590334105.db2.gz LDIZELQMPMYRPI-JQWIXIFHSA-N 1 2 243.347 1.589 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000877470216 590335386 /nfs/dbraw/zinc/33/53/86/590335386.db2.gz ZLBWXUHBAPEABM-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000877476924 590335892 /nfs/dbraw/zinc/33/58/92/590335892.db2.gz QYVKLBKFWMEQSU-LYFYHCNISA-N 1 2 207.220 1.181 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC3(CC3)C2)n1C ZINC000877557428 590357532 /nfs/dbraw/zinc/35/75/32/590357532.db2.gz RCADSWCBJNUVAC-UHFFFAOYSA-N 1 2 234.299 1.408 20 0 BDADLO CCONC(=O)C[NH2+]CCc1ccc(C)cc1 ZINC000877613464 590373290 /nfs/dbraw/zinc/37/32/90/590373290.db2.gz JJXFHHZGMITQGE-UHFFFAOYSA-N 1 2 236.315 1.195 20 0 BDADLO CCC[C@H]([NH2+]CC(=O)NOCC)[C@H]1CC1(C)C ZINC000877613454 590373974 /nfs/dbraw/zinc/37/39/74/590373974.db2.gz JHHVKODBVWJWRO-MNOVXSKESA-N 1 2 242.363 1.859 20 0 BDADLO COc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000877615071 590374478 /nfs/dbraw/zinc/37/44/78/590374478.db2.gz MPVKSWWQKHLMHH-OCAPTIKFSA-N 1 2 246.282 1.849 20 0 BDADLO COc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000877615071 590374479 /nfs/dbraw/zinc/37/44/79/590374479.db2.gz MPVKSWWQKHLMHH-OCAPTIKFSA-N 1 2 246.282 1.849 20 0 BDADLO Oc1ccc(F)c(C[NH2+]C2CSC2)c1F ZINC000877633981 590379183 /nfs/dbraw/zinc/37/91/83/590379183.db2.gz BPRXRAVTBIUDGH-UHFFFAOYSA-N 1 2 231.267 1.875 20 0 BDADLO ClC1(Cl)C[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC000877649160 590383966 /nfs/dbraw/zinc/38/39/66/590383966.db2.gz PDFUZSQFHLFBAE-RXMQYKEDSA-N 1 2 221.091 1.088 20 0 BDADLO ClC1(Cl)C[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC000877649160 590383969 /nfs/dbraw/zinc/38/39/69/590383969.db2.gz PDFUZSQFHLFBAE-RXMQYKEDSA-N 1 2 221.091 1.088 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877742381 590408013 /nfs/dbraw/zinc/40/80/13/590408013.db2.gz YWTGJHXQGOPBOZ-CMPLNLGQSA-N 1 2 237.372 1.903 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877742381 590408014 /nfs/dbraw/zinc/40/80/14/590408014.db2.gz YWTGJHXQGOPBOZ-CMPLNLGQSA-N 1 2 237.372 1.903 20 0 BDADLO Cc1c[nH]c(CN2CC(OC(C)(C)C)C2)[nH+]1 ZINC000877770183 590421367 /nfs/dbraw/zinc/42/13/67/590421367.db2.gz QEDVDDBAOCEKDP-UHFFFAOYSA-N 1 2 223.320 1.717 20 0 BDADLO Clc1csc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000877780684 590424399 /nfs/dbraw/zinc/42/43/99/590424399.db2.gz ZAMKKULQUDQDSH-OCAPTIKFSA-N 1 2 244.747 1.875 20 0 BDADLO Clc1csc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000877780684 590424401 /nfs/dbraw/zinc/42/44/01/590424401.db2.gz ZAMKKULQUDQDSH-OCAPTIKFSA-N 1 2 244.747 1.875 20 0 BDADLO Cc1ccc2c(c1)N[C@H](c1c[nH+]cn1C)NC2=O ZINC000877864634 590433992 /nfs/dbraw/zinc/43/39/92/590433992.db2.gz PGPZFXHDSIUNFN-LBPRGKRZSA-N 1 2 242.282 1.583 20 0 BDADLO CC(=O)N1CCC[N@H+](Cc2nocc2C)CC1 ZINC000877895598 590441603 /nfs/dbraw/zinc/44/16/03/590441603.db2.gz VEPDRVYYARAZPJ-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CC(=O)N1CCC[N@@H+](Cc2nocc2C)CC1 ZINC000877895598 590441605 /nfs/dbraw/zinc/44/16/05/590441605.db2.gz VEPDRVYYARAZPJ-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2CC(F)F)CCO1 ZINC000877896376 590442013 /nfs/dbraw/zinc/44/20/13/590442013.db2.gz YPJCAXGUTIXGGI-VIFPVBQESA-N 1 2 245.273 1.369 20 0 BDADLO CC(C)(C)SCCC[N@@H+]1CCNC(=O)C1 ZINC000877906297 590444479 /nfs/dbraw/zinc/44/44/79/590444479.db2.gz NESKIXJMCPDNIV-UHFFFAOYSA-N 1 2 230.377 1.340 20 0 BDADLO CC(C)(C)SCCC[N@H+]1CCNC(=O)C1 ZINC000877906297 590444480 /nfs/dbraw/zinc/44/44/80/590444480.db2.gz NESKIXJMCPDNIV-UHFFFAOYSA-N 1 2 230.377 1.340 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1nocc1C ZINC000877986842 590466749 /nfs/dbraw/zinc/46/67/49/590466749.db2.gz VDXVKEPWLNORJY-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1nocc1C ZINC000877986842 590466752 /nfs/dbraw/zinc/46/67/52/590466752.db2.gz VDXVKEPWLNORJY-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878044311 590479002 /nfs/dbraw/zinc/47/90/02/590479002.db2.gz MDNMXHCASOAZBB-VWYCJHECSA-N 1 2 241.331 1.485 20 0 BDADLO CCC[C@](C)([NH2+]CC[C@@H](O)C(C)C)C(=O)OC ZINC000878113089 590497275 /nfs/dbraw/zinc/49/72/75/590497275.db2.gz SHRKDZRUFUKMJK-YPMHNXCESA-N 1 2 245.363 1.715 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)CC1(O)CCCCC1 ZINC000878208467 590523913 /nfs/dbraw/zinc/52/39/13/590523913.db2.gz VJTWXWNUJFUZNG-NSHDSACASA-N 1 2 224.304 1.329 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000878291104 590535152 /nfs/dbraw/zinc/53/51/52/590535152.db2.gz FHCZQDQBHACXBI-VHRBIJSZSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000878291104 590535154 /nfs/dbraw/zinc/53/51/54/590535154.db2.gz FHCZQDQBHACXBI-VHRBIJSZSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000878291104 590535157 /nfs/dbraw/zinc/53/51/57/590535157.db2.gz FHCZQDQBHACXBI-VHRBIJSZSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000878291104 590535159 /nfs/dbraw/zinc/53/51/59/590535159.db2.gz FHCZQDQBHACXBI-VHRBIJSZSA-N 1 2 247.342 1.725 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC2(CCC2)CO1 ZINC000878315686 590542198 /nfs/dbraw/zinc/54/21/98/590542198.db2.gz UFRPJUDMGRAPFN-NSHDSACASA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC2(CCC2)CO1 ZINC000878315686 590542201 /nfs/dbraw/zinc/54/22/01/590542201.db2.gz UFRPJUDMGRAPFN-NSHDSACASA-N 1 2 235.331 1.801 20 0 BDADLO Cc1conc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000878333704 590547587 /nfs/dbraw/zinc/54/75/87/590547587.db2.gz BMLZSDYMNKSVPO-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1conc1C[N@H+](C)CCNC(=O)C(C)C ZINC000878333704 590547588 /nfs/dbraw/zinc/54/75/88/590547588.db2.gz BMLZSDYMNKSVPO-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO CCC(CC)([NH2+]CC[C@H](O)C(C)C)C(=O)OC ZINC000878423534 590565332 /nfs/dbraw/zinc/56/53/32/590565332.db2.gz SXUDWVDNZKFJRC-NSHDSACASA-N 1 2 245.363 1.715 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878534010 590588054 /nfs/dbraw/zinc/58/80/54/590588054.db2.gz VBFAHFHSORWJFU-RKDXNWHRSA-N 1 2 249.314 1.238 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878536975 590588535 /nfs/dbraw/zinc/58/85/35/590588535.db2.gz GEMXUNQPOOSSPL-GHMZBOCLSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878536975 590588537 /nfs/dbraw/zinc/58/85/37/590588537.db2.gz GEMXUNQPOOSSPL-GHMZBOCLSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000878536940 590588839 /nfs/dbraw/zinc/58/88/39/590588839.db2.gz FCINHYQBQARBNB-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000878536940 590588840 /nfs/dbraw/zinc/58/88/40/590588840.db2.gz FCINHYQBQARBNB-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878546144 590589967 /nfs/dbraw/zinc/58/99/67/590589967.db2.gz GEMXUNQPOOSSPL-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878546144 590589968 /nfs/dbraw/zinc/58/99/68/590589968.db2.gz GEMXUNQPOOSSPL-WDEREUQCSA-N 1 2 241.331 1.439 20 0 BDADLO c1nc2n(n1)[C@@H](C[N@@H+]1Cc3ccncc3C1)CC2 ZINC000878609376 590595939 /nfs/dbraw/zinc/59/59/39/590595939.db2.gz YTTMSZJEVMFXRH-GFCCVEGCSA-N 1 2 241.298 1.176 20 0 BDADLO c1nc2n(n1)[C@@H](C[N@H+]1Cc3ccncc3C1)CC2 ZINC000878609376 590595941 /nfs/dbraw/zinc/59/59/41/590595941.db2.gz YTTMSZJEVMFXRH-GFCCVEGCSA-N 1 2 241.298 1.176 20 0 BDADLO C[C@@]1([NH2+]C[C@@H]2CC3(CCC3)CO2)CCOC1=O ZINC000878632650 590598375 /nfs/dbraw/zinc/59/83/75/590598375.db2.gz RHNZKOWBGXMQCO-CMPLNLGQSA-N 1 2 239.315 1.241 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000878685600 590609118 /nfs/dbraw/zinc/60/91/18/590609118.db2.gz XEFMHBFMDZNJGA-UWVGGRQHSA-N 1 2 239.306 1.341 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000878685600 590609119 /nfs/dbraw/zinc/60/91/19/590609119.db2.gz XEFMHBFMDZNJGA-UWVGGRQHSA-N 1 2 239.306 1.341 20 0 BDADLO O=C(C[N@H+]1CCC=C(Cl)C1)NC1CC1 ZINC000878793617 590624548 /nfs/dbraw/zinc/62/45/48/590624548.db2.gz PQOFAKCSFFFQEI-UHFFFAOYSA-N 1 2 214.696 1.093 20 0 BDADLO O=C(C[N@@H+]1CCC=C(Cl)C1)NC1CC1 ZINC000878793617 590624550 /nfs/dbraw/zinc/62/45/50/590624550.db2.gz PQOFAKCSFFFQEI-UHFFFAOYSA-N 1 2 214.696 1.093 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nocc2C)[C@@H](C)CO1 ZINC000878805810 590625381 /nfs/dbraw/zinc/62/53/81/590625381.db2.gz UABMSGDQVMLNEM-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nocc2C)[C@@H](C)CO1 ZINC000878805810 590625383 /nfs/dbraw/zinc/62/53/83/590625383.db2.gz UABMSGDQVMLNEM-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ccc(NC(=O)N2CC=C[C@@H]2CO)c(C)[nH+]1 ZINC000878908984 590645672 /nfs/dbraw/zinc/64/56/72/590645672.db2.gz FQYOKUVHDKITPL-LLVKDONJSA-N 1 2 247.298 1.463 20 0 BDADLO C=C/C=C/CC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000878951494 590660906 /nfs/dbraw/zinc/66/09/06/590660906.db2.gz LSNOGFIWASACNX-FYJFLYSWSA-N 1 2 229.295 2.000 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)n1 ZINC000879325427 590746627 /nfs/dbraw/zinc/74/66/27/590746627.db2.gz NHEJUKFRWQAQLC-PWSUYJOCSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)n1 ZINC000879325427 590746629 /nfs/dbraw/zinc/74/66/29/590746629.db2.gz NHEJUKFRWQAQLC-PWSUYJOCSA-N 1 2 238.335 1.297 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)no1 ZINC000879560875 590802551 /nfs/dbraw/zinc/80/25/51/590802551.db2.gz ZUWVKROGMUJMIC-NXEZZACHSA-N 1 2 239.344 1.563 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)no1 ZINC000879560875 590802554 /nfs/dbraw/zinc/80/25/54/590802554.db2.gz ZUWVKROGMUJMIC-NXEZZACHSA-N 1 2 239.344 1.563 20 0 BDADLO CCC(O)(CC)C(C)(C)[NH2+]Cc1noc(C)n1 ZINC000879698878 590852853 /nfs/dbraw/zinc/85/28/53/590852853.db2.gz ZYTDGTADJPFZLF-UHFFFAOYSA-N 1 2 241.335 1.797 20 0 BDADLO COC(CC[N@@H+]1OC2CCC1CC2)OC ZINC000879800884 590878195 /nfs/dbraw/zinc/87/81/95/590878195.db2.gz VWAHLXXPPYOYOF-UHFFFAOYSA-N 1 2 215.293 1.554 20 0 BDADLO COC(CC[N@H+]1OC2CCC1CC2)OC ZINC000879800884 590878199 /nfs/dbraw/zinc/87/81/99/590878199.db2.gz VWAHLXXPPYOYOF-UHFFFAOYSA-N 1 2 215.293 1.554 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H](CF)C2)no1 ZINC000880236815 590968213 /nfs/dbraw/zinc/96/82/13/590968213.db2.gz JNCOPHXZCAESLM-VIFPVBQESA-N 1 2 243.282 1.398 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H](CF)C2)no1 ZINC000880236815 590968215 /nfs/dbraw/zinc/96/82/15/590968215.db2.gz JNCOPHXZCAESLM-VIFPVBQESA-N 1 2 243.282 1.398 20 0 BDADLO COCc1noc(C[N@@H+]2CCC[C@@H](CF)C2)n1 ZINC000880236840 590968513 /nfs/dbraw/zinc/96/85/13/590968513.db2.gz KIKDPOHIWSIDPB-VIFPVBQESA-N 1 2 243.282 1.398 20 0 BDADLO COCc1noc(C[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000880236840 590968517 /nfs/dbraw/zinc/96/85/17/590968517.db2.gz KIKDPOHIWSIDPB-VIFPVBQESA-N 1 2 243.282 1.398 20 0 BDADLO FCCn1ncnc1C[NH+]1CCC(F)CC1 ZINC000880239198 590972234 /nfs/dbraw/zinc/97/22/34/590972234.db2.gz BNHFJXIJWKWXJN-UHFFFAOYSA-N 1 2 230.262 1.182 20 0 BDADLO Cn1nc(C2CC2)nc1C[NH+]1CCC(F)CC1 ZINC000880240027 590974571 /nfs/dbraw/zinc/97/45/71/590974571.db2.gz WYZHUOJAJZSUAI-UHFFFAOYSA-N 1 2 238.310 1.626 20 0 BDADLO CCn1ccnc1C[NH+]1CCC(F)CC1 ZINC000880241305 590975033 /nfs/dbraw/zinc/97/50/33/590975033.db2.gz VODPJZIJMXHBGV-UHFFFAOYSA-N 1 2 211.284 1.837 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CCC(F)CC2)on1 ZINC000880243402 590976875 /nfs/dbraw/zinc/97/68/75/590976875.db2.gz ZEHAHNIVBYNZJR-UHFFFAOYSA-N 1 2 241.266 1.355 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880298552 590992157 /nfs/dbraw/zinc/99/21/57/590992157.db2.gz DMWSGQFRNPOIOZ-MRVPVSSYSA-N 1 2 229.255 1.007 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](CF)C2)no1 ZINC000880298552 590992158 /nfs/dbraw/zinc/99/21/58/590992158.db2.gz DMWSGQFRNPOIOZ-MRVPVSSYSA-N 1 2 229.255 1.007 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1CCSC1=O ZINC000128351685 591001065 /nfs/dbraw/zinc/00/10/65/591001065.db2.gz RNHCOFAXFCWQAU-UHFFFAOYSA-N 1 2 239.344 1.583 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1CCSC1=O ZINC000128351685 591001069 /nfs/dbraw/zinc/00/10/69/591001069.db2.gz RNHCOFAXFCWQAU-UHFFFAOYSA-N 1 2 239.344 1.583 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316654 591003056 /nfs/dbraw/zinc/00/30/56/591003056.db2.gz JLWILUKBWUYGFO-BDAKNGLRSA-N 1 2 238.312 1.248 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316654 591003061 /nfs/dbraw/zinc/00/30/61/591003061.db2.gz JLWILUKBWUYGFO-BDAKNGLRSA-N 1 2 238.312 1.248 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000880417100 591026183 /nfs/dbraw/zinc/02/61/83/591026183.db2.gz GKCYTIKXNGJZLV-BXKDBHETSA-N 1 2 222.288 1.365 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000880417100 591026188 /nfs/dbraw/zinc/02/61/88/591026188.db2.gz GKCYTIKXNGJZLV-BXKDBHETSA-N 1 2 222.288 1.365 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cccc(F)c1F ZINC000880482265 591055105 /nfs/dbraw/zinc/05/51/05/591055105.db2.gz COWMHGFKDNDNHZ-JTQLQIEISA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cccc(F)c1F ZINC000880482265 591055108 /nfs/dbraw/zinc/05/51/08/591055108.db2.gz COWMHGFKDNDNHZ-JTQLQIEISA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000880483243 591056956 /nfs/dbraw/zinc/05/69/56/591056956.db2.gz DHJNBDBWVZTWPS-VIFPVBQESA-N 1 2 247.254 1.062 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000880483243 591056961 /nfs/dbraw/zinc/05/69/61/591056961.db2.gz DHJNBDBWVZTWPS-VIFPVBQESA-N 1 2 247.254 1.062 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000880483810 591057106 /nfs/dbraw/zinc/05/71/06/591057106.db2.gz JCJWXXLAOJVYKV-SNVBAGLBSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000880483810 591057108 /nfs/dbraw/zinc/05/71/08/591057108.db2.gz JCJWXXLAOJVYKV-SNVBAGLBSA-N 1 2 225.238 1.698 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCc2ncncc2C1 ZINC000880598048 591108084 /nfs/dbraw/zinc/10/80/84/591108084.db2.gz JYJOXVVHZLEBRL-UHFFFAOYSA-N 1 2 227.258 1.880 20 0 BDADLO CCC(F)(F)C[N@H+]1CCc2ncncc2C1 ZINC000880598048 591108088 /nfs/dbraw/zinc/10/80/88/591108088.db2.gz JYJOXVVHZLEBRL-UHFFFAOYSA-N 1 2 227.258 1.880 20 0 BDADLO Cc1coc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000880722547 591127325 /nfs/dbraw/zinc/12/73/25/591127325.db2.gz SCBMVAIZRPSNPW-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000881566189 591240667 /nfs/dbraw/zinc/24/06/67/591240667.db2.gz VUSCILAZVNAPLF-AAOUONPWSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000881567976 591242899 /nfs/dbraw/zinc/24/28/99/591242899.db2.gz YHRXWKXKTUGLNZ-AAOUONPWSA-N 1 2 245.326 1.694 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@@H](CF)C1)n1cc[nH+]c1 ZINC000881676108 591265057 /nfs/dbraw/zinc/26/50/57/591265057.db2.gz FXQHKQLBPNLAHF-QWRGUYRKSA-N 1 2 239.294 1.652 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CF)C1 ZINC000881676644 591265111 /nfs/dbraw/zinc/26/51/11/591265111.db2.gz IXXHNIZNGDAVAY-UWVGGRQHSA-N 1 2 239.294 1.406 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CF)C1 ZINC000881676644 591265113 /nfs/dbraw/zinc/26/51/13/591265113.db2.gz IXXHNIZNGDAVAY-UWVGGRQHSA-N 1 2 239.294 1.406 20 0 BDADLO Cc1[nH+]cnc(NCCC(=O)OC(C)C)c1C ZINC000881776626 591270487 /nfs/dbraw/zinc/27/04/87/591270487.db2.gz RGGYDVMTWQKQTN-UHFFFAOYSA-N 1 2 237.303 1.847 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCC(=O)N(C)C2)c1C ZINC000881999605 591286573 /nfs/dbraw/zinc/28/65/73/591286573.db2.gz LXRLTBBUQSEDMC-SNVBAGLBSA-N 1 2 234.303 1.126 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@@H](O)C2CC2)c1C ZINC000882064491 591293793 /nfs/dbraw/zinc/29/37/93/591293793.db2.gz AKQLBAIEOHQMQQ-LLVKDONJSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@]3(CCOC3)C2)c1C ZINC000882082371 591294766 /nfs/dbraw/zinc/29/47/66/591294766.db2.gz PDTCFZCXZMRLDK-CYBMUJFWSA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCc3c[nH]nc3C2)c1C ZINC000882084337 591295366 /nfs/dbraw/zinc/29/53/66/591295366.db2.gz OREPKBZQYRAJRO-NSHDSACASA-N 1 2 243.314 1.786 20 0 BDADLO CC(=O)OCCCSCc1ccc[nH+]c1N ZINC000882159726 591309180 /nfs/dbraw/zinc/30/91/80/591309180.db2.gz FADPPNCQGXOXOI-UHFFFAOYSA-N 1 2 240.328 1.850 20 0 BDADLO Cc1[nH+]cnc(N(C)C2CC(O)C2)c1C ZINC000882185554 591312674 /nfs/dbraw/zinc/31/26/74/591312674.db2.gz CBNLXMJKEVITIM-UHFFFAOYSA-N 1 2 207.277 1.053 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2C[C@@H](O)C2(C)C)c1C ZINC000882210440 591316753 /nfs/dbraw/zinc/31/67/53/591316753.db2.gz KRGAFQIOHZWNPL-NXEZZACHSA-N 1 2 221.304 1.665 20 0 BDADLO Cc1[nH+]cnc(NCc2cccnn2)c1C ZINC000882268641 591322956 /nfs/dbraw/zinc/32/29/56/591322956.db2.gz CYJZIEIFDFDDBK-UHFFFAOYSA-N 1 2 215.260 1.496 20 0 BDADLO CCN1C[C@@H](Nc2nc[nH+]c(C)c2C)CC1=O ZINC000882420589 591345580 /nfs/dbraw/zinc/34/55/80/591345580.db2.gz LHUWBWXFMBFOBL-JTQLQIEISA-N 1 2 234.303 1.126 20 0 BDADLO CCc1nc(CNc2cc[nH+]cc2F)co1 ZINC000882427392 591346913 /nfs/dbraw/zinc/34/69/13/591346913.db2.gz NNBAUGNJXKHMCW-UHFFFAOYSA-N 1 2 221.235 1.805 20 0 BDADLO Cc1[nH+]cnc(N2C[C@]3(C)COC[C@]3(C)C2)c1C ZINC000882605403 591397915 /nfs/dbraw/zinc/39/79/15/591397915.db2.gz PIGPYLVXYQYCLO-OKILXGFUSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2C[C@@H](O)C23CCC3)c1C ZINC000882621968 591401705 /nfs/dbraw/zinc/40/17/05/591401705.db2.gz DYIGGCCAZNIGEU-GHMZBOCLSA-N 1 2 233.315 1.809 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000882681645 591411282 /nfs/dbraw/zinc/41/12/82/591411282.db2.gz POTNHULQKWFYJH-FUVSOYRFSA-N 1 2 246.310 1.409 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1C ZINC000882681202 591411560 /nfs/dbraw/zinc/41/15/60/591411560.db2.gz LFXDJZPFTOULFB-OBPIAQAESA-N 1 2 245.326 1.929 20 0 BDADLO Cn1ncc2c1nc(NC[C@@H]1C=CCC1)[nH+]c2N ZINC000882757163 591430076 /nfs/dbraw/zinc/43/00/76/591430076.db2.gz ZHMDSXJHCMHXIW-MRVPVSSYSA-N 1 2 244.302 1.324 20 0 BDADLO C[C@H](O)c1ccc(N2CCOC(C)(C)C2)[nH+]c1 ZINC000213236517 591455755 /nfs/dbraw/zinc/45/57/55/591455755.db2.gz BPUVZHGKNADPQF-JTQLQIEISA-N 1 2 236.315 1.750 20 0 BDADLO C[C@H](O)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]c1 ZINC000213286480 591460283 /nfs/dbraw/zinc/46/02/83/591460283.db2.gz BSAUSSVXJSFDRV-ZMLRMANQSA-N 1 2 234.299 1.503 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882880297 591461566 /nfs/dbraw/zinc/46/15/66/591461566.db2.gz LNNWTPWVVLGKGO-VIFPVBQESA-N 1 2 238.335 1.147 20 0 BDADLO c1ccc(N2CCC3(CC2)COCCO3)[nH+]c1 ZINC000882997479 591500118 /nfs/dbraw/zinc/50/01/18/591500118.db2.gz PPOLFUOLOKCMLH-UHFFFAOYSA-N 1 2 234.299 1.467 20 0 BDADLO Cc1cccc(Cl)c1CO[NH+]=C(N)CO ZINC000883012460 591512140 /nfs/dbraw/zinc/51/21/40/591512140.db2.gz HEBRDWDSHATJQE-UHFFFAOYSA-N 1 2 228.679 1.639 20 0 BDADLO NC(CO)=[NH+]OCc1cc(C(F)(F)F)co1 ZINC000883013727 591513858 /nfs/dbraw/zinc/51/38/58/591513858.db2.gz YCDCNJRHVGDLGU-UHFFFAOYSA-N 1 2 238.165 1.289 20 0 BDADLO CN1CCC[C@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883047800 591528447 /nfs/dbraw/zinc/52/84/47/591528447.db2.gz AZRCUEOEGVDCIA-NSHDSACASA-N 1 2 247.298 1.154 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)no1 ZINC000883140357 591550304 /nfs/dbraw/zinc/55/03/04/591550304.db2.gz RBMFKPVXYZLIPV-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(N[C@H](C)CC(N)=O)c[nH+]c1C ZINC000883341242 591620571 /nfs/dbraw/zinc/62/05/71/591620571.db2.gz KYFCIOWMPPQJCU-MRVPVSSYSA-N 1 2 207.277 1.374 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCOC(C)(C)C1 ZINC000214611859 591675911 /nfs/dbraw/zinc/67/59/11/591675911.db2.gz KFVBDOROJHZLSJ-YHYXMXQVSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCOC(C)(C)C1 ZINC000214611859 591675914 /nfs/dbraw/zinc/67/59/14/591675914.db2.gz KFVBDOROJHZLSJ-YHYXMXQVSA-N 1 2 227.304 1.217 20 0 BDADLO C=C/C=C\CCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000883669904 591715170 /nfs/dbraw/zinc/71/51/70/591715170.db2.gz TYPZYYXBWJKXNI-DLRQAJBASA-N 1 2 246.314 1.759 20 0 BDADLO CCn1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)nn1 ZINC000884002626 591791241 /nfs/dbraw/zinc/79/12/41/591791241.db2.gz RIQQEEPPGYKTGJ-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)nn1 ZINC000884002626 591791244 /nfs/dbraw/zinc/79/12/44/591791244.db2.gz RIQQEEPPGYKTGJ-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO CCCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800084297 591818706 /nfs/dbraw/zinc/81/87/06/591818706.db2.gz GHSICEUUBGPNQQ-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800084297 591818708 /nfs/dbraw/zinc/81/87/08/591818708.db2.gz GHSICEUUBGPNQQ-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO C/C=C/C=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800096421 591822175 /nfs/dbraw/zinc/82/21/75/591822175.db2.gz DGIJWCJNWUVEPK-UXVFWXEMSA-N 1 2 239.315 1.383 20 0 BDADLO C/C=C/C=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800096421 591822177 /nfs/dbraw/zinc/82/21/77/591822177.db2.gz DGIJWCJNWUVEPK-UXVFWXEMSA-N 1 2 239.315 1.383 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)CC2CC2)CCO1 ZINC000800132624 591826105 /nfs/dbraw/zinc/82/61/05/591826105.db2.gz LGFQEEVAUWDMSC-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)CC2CC2)CCO1 ZINC000800132624 591826108 /nfs/dbraw/zinc/82/61/08/591826108.db2.gz LGFQEEVAUWDMSC-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO CC(C)/C=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800217077 591840533 /nfs/dbraw/zinc/84/05/33/591840533.db2.gz JYWYKSHJMSUMQU-QMAVJUDZSA-N 1 2 241.331 1.463 20 0 BDADLO CC(C)/C=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800217077 591840535 /nfs/dbraw/zinc/84/05/35/591840535.db2.gz JYWYKSHJMSUMQU-QMAVJUDZSA-N 1 2 241.331 1.463 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)CC2(C)CC2)CCO1 ZINC000800214413 591840599 /nfs/dbraw/zinc/84/05/99/591840599.db2.gz KZNQLVYSHGROSV-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)CC2(C)CC2)CCO1 ZINC000800214413 591840602 /nfs/dbraw/zinc/84/06/02/591840602.db2.gz KZNQLVYSHGROSV-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)/C=C/C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800217079 591841253 /nfs/dbraw/zinc/84/12/53/591841253.db2.gz JYWYKSHJMSUMQU-ZYOFXKKJSA-N 1 2 241.331 1.463 20 0 BDADLO CC(C)/C=C/C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800217079 591841255 /nfs/dbraw/zinc/84/12/55/591841255.db2.gz JYWYKSHJMSUMQU-ZYOFXKKJSA-N 1 2 241.331 1.463 20 0 BDADLO CCCNc1cc(N[C@@H](CC)CCO)nc[nH+]1 ZINC000134655983 591944845 /nfs/dbraw/zinc/94/48/45/591944845.db2.gz QFQAWFPVQCRCCE-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(N[C@@H](CC)CCO)[nH+]cn1 ZINC000134655983 591944847 /nfs/dbraw/zinc/94/48/47/591944847.db2.gz QFQAWFPVQCRCCE-JTQLQIEISA-N 1 2 238.335 1.871 20 0 BDADLO CCc1nc(N[C@H](C)[C@H](C)OC)cc[nH+]1 ZINC000884511821 591961894 /nfs/dbraw/zinc/96/18/94/591961894.db2.gz QLLBUSYNAXCWNR-BDAKNGLRSA-N 1 2 209.293 1.874 20 0 BDADLO CCc1nc(N2CC[C@H]2C(F)F)cc[nH+]1 ZINC000884517899 591963904 /nfs/dbraw/zinc/96/39/04/591963904.db2.gz YQUJPMWNRUHTMQ-ZETCQYMHSA-N 1 2 213.231 1.883 20 0 BDADLO CCc1nc(N2CC[C@H](CCCO)C2)cc[nH+]1 ZINC000884525265 591965801 /nfs/dbraw/zinc/96/58/01/591965801.db2.gz QMODVWDFXFKLEE-NSHDSACASA-N 1 2 235.331 1.638 20 0 BDADLO CCc1nc(NC[C@H](O)C2CCC2)cc[nH+]1 ZINC000884524727 591965982 /nfs/dbraw/zinc/96/59/82/591965982.db2.gz DZAVLMGDLCXUES-JTQLQIEISA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N[C@@H](C)C(OC)OC)cc[nH+]1 ZINC000884526784 591966856 /nfs/dbraw/zinc/96/68/56/591966856.db2.gz CVPICDLGTXWFEM-QMMMGPOBSA-N 1 2 225.292 1.458 20 0 BDADLO CCc1nc(NCCc2cnc(C)cn2)cc[nH+]1 ZINC000884526387 591967110 /nfs/dbraw/zinc/96/71/10/591967110.db2.gz SDAHNMVVSSYLPZ-UHFFFAOYSA-N 1 2 243.314 1.792 20 0 BDADLO CCc1nc(N[C@H]2CCNC(=O)CC2)cc[nH+]1 ZINC000884531858 591968838 /nfs/dbraw/zinc/96/88/38/591968838.db2.gz WZRCYQHAGVPGKW-SECBINFHSA-N 1 2 234.303 1.120 20 0 BDADLO CCc1nc(NC[C@H]2CC(=O)N(CC)C2)cc[nH+]1 ZINC000884544768 591973304 /nfs/dbraw/zinc/97/33/04/591973304.db2.gz PCBIYUOCMVLCIN-SNVBAGLBSA-N 1 2 248.330 1.319 20 0 BDADLO CCc1nc(NC[C@@H]2CC(=O)N(CC)C2)cc[nH+]1 ZINC000884544767 591973424 /nfs/dbraw/zinc/97/34/24/591973424.db2.gz PCBIYUOCMVLCIN-JTQLQIEISA-N 1 2 248.330 1.319 20 0 BDADLO CCc1nc(NCCO[C@@H]2CC2(F)F)cc[nH+]1 ZINC000884556267 591977921 /nfs/dbraw/zinc/97/79/21/591977921.db2.gz LYHHESAJURVDQI-MRVPVSSYSA-N 1 2 243.257 1.875 20 0 BDADLO CCc1nc(N[C@@H](C)c2nccn2C)cc[nH+]1 ZINC000884559253 591979020 /nfs/dbraw/zinc/97/90/20/591979020.db2.gz QBBUHRPSPOMQRN-VIFPVBQESA-N 1 2 231.303 1.946 20 0 BDADLO CCc1nc(N2CC[C@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000884558685 591979350 /nfs/dbraw/zinc/97/93/50/591979350.db2.gz BGIOQZNCVTXUEA-QWRGUYRKSA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N2CC[C@@H](C(C)(C)O)C2)cc[nH+]1 ZINC000884580783 591986964 /nfs/dbraw/zinc/98/69/64/591986964.db2.gz LZTPIDQBGQULQF-SNVBAGLBSA-N 1 2 235.331 1.636 20 0 BDADLO Cc1nc(N[C@@H](CO)C[C@@H]2CCCO2)cc[nH+]1 ZINC000884616721 591995226 /nfs/dbraw/zinc/99/52/26/591995226.db2.gz AWOVXXZALRNCQR-MNOVXSKESA-N 1 2 237.303 1.127 20 0 BDADLO Cc1cc(N2CC[C@@H]([C@@H]3CCCO3)C2)nc[nH+]1 ZINC000884730703 592015967 /nfs/dbraw/zinc/01/59/67/592015967.db2.gz MNJOOYUGFSKROZ-NEPJUHHUSA-N 1 2 233.315 1.790 20 0 BDADLO CCc1cc(NC[C@@H]2C[C@@H]2C(=O)OC)nc[nH+]1 ZINC000884799579 592017856 /nfs/dbraw/zinc/01/78/56/592017856.db2.gz BCKMVHHXLNYBCO-WPRPVWTQSA-N 1 2 235.287 1.260 20 0 BDADLO Cc1nc(N[C@@H](CCO)C(F)(F)F)cc[nH+]1 ZINC000884835834 592024338 /nfs/dbraw/zinc/02/43/38/592024338.db2.gz YKYCXMGXOLXACG-ZETCQYMHSA-N 1 2 235.209 1.510 20 0 BDADLO C[C@H]1C(=O)CCCN1C(=O)CNc1cccc[nH+]1 ZINC000885063573 592043121 /nfs/dbraw/zinc/04/31/21/592043121.db2.gz POXNPENLEOPSSJ-JTQLQIEISA-N 1 2 247.298 1.074 20 0 BDADLO C[C@H]1CCC(=O)CN1C(=O)CNc1cccc[nH+]1 ZINC000885073641 592045884 /nfs/dbraw/zinc/04/58/84/592045884.db2.gz PALZEEPLOZLCKI-JTQLQIEISA-N 1 2 247.298 1.074 20 0 BDADLO CCCNc1cc(N(C)CC[C@H](C)O)nc[nH+]1 ZINC000135825047 592060269 /nfs/dbraw/zinc/06/02/69/592060269.db2.gz GARPULXLRDCGRS-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCCNc1cc(N(C)CC[C@H](C)O)[nH+]cn1 ZINC000135825047 592060272 /nfs/dbraw/zinc/06/02/72/592060272.db2.gz GARPULXLRDCGRS-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@](C)(O)C(F)F ZINC000885979840 592119774 /nfs/dbraw/zinc/11/97/74/592119774.db2.gz NMADIWFOGZVPME-VIFPVBQESA-N 1 2 231.233 1.980 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@](C)(O)C(F)F ZINC000885979840 592119775 /nfs/dbraw/zinc/11/97/75/592119775.db2.gz NMADIWFOGZVPME-VIFPVBQESA-N 1 2 231.233 1.980 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1CCC=CCC1 ZINC000886015436 592131080 /nfs/dbraw/zinc/13/10/80/592131080.db2.gz FSEPSBFRQIUUPC-UHFFFAOYSA-N 1 2 233.315 1.815 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)F)n1 ZINC000886129670 592159488 /nfs/dbraw/zinc/15/94/88/592159488.db2.gz KVKNXSPOMYLYMM-MLUIRONXSA-N 1 2 235.234 1.045 20 0 BDADLO C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000886164440 592166258 /nfs/dbraw/zinc/16/62/58/592166258.db2.gz LEDINPPLIZOLFK-GWCFXTLKSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000886164440 592166260 /nfs/dbraw/zinc/16/62/60/592166260.db2.gz LEDINPPLIZOLFK-GWCFXTLKSA-N 1 2 248.330 1.120 20 0 BDADLO Cc1[nH]c(CNc2n[nH]c3c2COCC3)[nH+]c1C ZINC000886204748 592175940 /nfs/dbraw/zinc/17/59/40/592175940.db2.gz PCMCWWQHXSDFRS-UHFFFAOYSA-N 1 2 247.302 1.434 20 0 BDADLO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1n[nH]c(=O)o1 ZINC000886251586 592187626 /nfs/dbraw/zinc/18/76/26/592187626.db2.gz GTDHCKFEGUXEGU-ZJUUUORDSA-N 1 2 237.303 1.643 20 0 BDADLO C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1n[nH]c(=O)o1 ZINC000886251586 592187629 /nfs/dbraw/zinc/18/76/29/592187629.db2.gz GTDHCKFEGUXEGU-ZJUUUORDSA-N 1 2 237.303 1.643 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344407 592212318 /nfs/dbraw/zinc/21/23/18/592212318.db2.gz DLHBKSAYOYOUMD-GRYCIOLGSA-N 1 2 232.283 1.247 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344407 592212320 /nfs/dbraw/zinc/21/23/20/592212320.db2.gz DLHBKSAYOYOUMD-GRYCIOLGSA-N 1 2 232.283 1.247 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCCn2nncc2C1 ZINC000886462820 592227696 /nfs/dbraw/zinc/22/76/96/592227696.db2.gz FOAJBLTUAMVATH-SNVBAGLBSA-N 1 2 244.302 1.035 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCCn2nncc2C1 ZINC000886462820 592227698 /nfs/dbraw/zinc/22/76/98/592227698.db2.gz FOAJBLTUAMVATH-SNVBAGLBSA-N 1 2 244.302 1.035 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890269758 592230799 /nfs/dbraw/zinc/23/07/99/592230799.db2.gz FKDRFGRTEFOYKI-TXEJJXNPSA-N 1 2 245.326 1.752 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ncco1 ZINC000886538711 592251957 /nfs/dbraw/zinc/25/19/57/592251957.db2.gz MLRSLYHPEAAWQP-ZJUUUORDSA-N 1 2 209.293 1.419 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000886607589 592274490 /nfs/dbraw/zinc/27/44/90/592274490.db2.gz UYNWTWFMKWURPF-SFYZADRCSA-N 1 2 233.258 1.715 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1=CCCC1)C2 ZINC000886617851 592278026 /nfs/dbraw/zinc/27/80/26/592278026.db2.gz BMQNCCGNDBGRDU-UHFFFAOYSA-N 1 2 245.326 1.898 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)c1ccon1)C2 ZINC000886624612 592279345 /nfs/dbraw/zinc/27/93/45/592279345.db2.gz RGSQIBYDJSACLI-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCc1onc(C)c1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000886683597 592301619 /nfs/dbraw/zinc/30/16/19/592301619.db2.gz OMCMOSFGRXPMIP-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CCc1onc(C)c1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000886683597 592301624 /nfs/dbraw/zinc/30/16/24/592301624.db2.gz OMCMOSFGRXPMIP-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819984 592345379 /nfs/dbraw/zinc/34/53/79/592345379.db2.gz ZNJMLWCNDKXIDR-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819984 592345382 /nfs/dbraw/zinc/34/53/82/592345382.db2.gz ZNJMLWCNDKXIDR-ONGXEEELSA-N 1 2 239.344 1.539 20 0 BDADLO CC[C@H](NC(=O)c1ccc(F)nc1)c1[nH]cc[nH+]1 ZINC000139425427 592398801 /nfs/dbraw/zinc/39/88/01/592398801.db2.gz AZIOGTZDORBFQY-VIFPVBQESA-N 1 2 248.261 1.825 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12C[C@H]1CCC2 ZINC000887032963 592425154 /nfs/dbraw/zinc/42/51/54/592425154.db2.gz DICREEOTQOWYLI-OPQQBVKSSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12C[C@H]1CCC2 ZINC000887032963 592425157 /nfs/dbraw/zinc/42/51/57/592425157.db2.gz DICREEOTQOWYLI-OPQQBVKSSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000887032945 592426060 /nfs/dbraw/zinc/42/60/60/592426060.db2.gz BXXXEOKOQFKEDU-GPCCPHFNSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000887032945 592426062 /nfs/dbraw/zinc/42/60/62/592426062.db2.gz BXXXEOKOQFKEDU-GPCCPHFNSA-N 1 2 245.326 1.573 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCCF ZINC000887077762 592435432 /nfs/dbraw/zinc/43/54/32/592435432.db2.gz UBUMOWMLRFGHRI-VIFPVBQESA-N 1 2 235.324 1.327 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CCCCF ZINC000887077762 592435438 /nfs/dbraw/zinc/43/54/38/592435438.db2.gz UBUMOWMLRFGHRI-VIFPVBQESA-N 1 2 235.324 1.327 20 0 BDADLO C=C/C=C\CC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887078777 592435720 /nfs/dbraw/zinc/43/57/20/592435720.db2.gz CRFDQVSXEJAMJI-WYGGZMRJSA-N 1 2 241.356 1.709 20 0 BDADLO C=C/C=C\CC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887078777 592435722 /nfs/dbraw/zinc/43/57/22/592435722.db2.gz CRFDQVSXEJAMJI-WYGGZMRJSA-N 1 2 241.356 1.709 20 0 BDADLO CC/C=C\CC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887076062 592435878 /nfs/dbraw/zinc/43/58/78/592435878.db2.gz WDHSOVZOYBDNIE-DOGVGXBMSA-N 1 2 243.372 1.933 20 0 BDADLO CC/C=C\CC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887076062 592435880 /nfs/dbraw/zinc/43/58/80/592435880.db2.gz WDHSOVZOYBDNIE-DOGVGXBMSA-N 1 2 243.372 1.933 20 0 BDADLO C[N@H+](CCCF)Cc1ccc(S(C)(=O)=O)o1 ZINC000887142762 592458876 /nfs/dbraw/zinc/45/88/76/592458876.db2.gz YZSZJUNHRIBGRT-UHFFFAOYSA-N 1 2 249.307 1.475 20 0 BDADLO C[N@@H+](CCCF)Cc1ccc(S(C)(=O)=O)o1 ZINC000887142762 592458880 /nfs/dbraw/zinc/45/88/80/592458880.db2.gz YZSZJUNHRIBGRT-UHFFFAOYSA-N 1 2 249.307 1.475 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC000887236097 592468209 /nfs/dbraw/zinc/46/82/09/592468209.db2.gz YYYWSBLQRCNHAU-VIFPVBQESA-N 1 2 223.276 1.270 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC000887236097 592468211 /nfs/dbraw/zinc/46/82/11/592468211.db2.gz YYYWSBLQRCNHAU-VIFPVBQESA-N 1 2 223.276 1.270 20 0 BDADLO C[C@@H]1CC[C@]2(C1)[NH2+]C1(CCOCC1)C(=O)N2C ZINC000887333955 592481351 /nfs/dbraw/zinc/48/13/51/592481351.db2.gz DVSVLOSCYILKKK-MFKMUULPSA-N 1 2 238.331 1.114 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC1(C)C)c1[nH]cc[nH+]1 ZINC000300223261 592505227 /nfs/dbraw/zinc/50/52/27/592505227.db2.gz AZNKCZBIMGHEBZ-SFYZADRCSA-N 1 2 207.277 1.633 20 0 BDADLO Cc1cnc(F)cc1C(=O)NCCn1cc[nH+]c1 ZINC000887718084 592545292 /nfs/dbraw/zinc/54/52/92/592545292.db2.gz PXDXLXFLVOFXFY-UHFFFAOYSA-N 1 2 248.261 1.156 20 0 BDADLO CC1(O)C[NH+](Cc2cnc3ccccc3c2)C1 ZINC000302370360 592546873 /nfs/dbraw/zinc/54/68/73/592546873.db2.gz ZBHVCXGDWYVLIV-UHFFFAOYSA-N 1 2 228.295 1.801 20 0 BDADLO CC1(C)CO[C@@H](CC(=O)NC2=[NH+]CCS2)C1 ZINC000887914522 592558189 /nfs/dbraw/zinc/55/81/89/592558189.db2.gz MILPSZQXSAAEOZ-QMMMGPOBSA-N 1 2 242.344 1.411 20 0 BDADLO Cc1cc(NC(=O)N[C@]23C[C@H]2COC3)c(C)c[nH+]1 ZINC000887935586 592560535 /nfs/dbraw/zinc/56/05/35/592560535.db2.gz CRCFOAVWWKYNGG-GWCFXTLKSA-N 1 2 247.298 1.031 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]1C1CCCC1 ZINC000889408838 592609064 /nfs/dbraw/zinc/60/90/64/592609064.db2.gz CBNBIGZUWYRILT-NSHDSACASA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889589743 592623338 /nfs/dbraw/zinc/62/33/38/592623338.db2.gz FJYJAZVMRYBGBO-SDDRHHMPSA-N 1 2 233.315 1.578 20 0 BDADLO Cc1ccc(NC(=O)COC2CC2)c(N(C)C)[nH+]1 ZINC000889665134 592640815 /nfs/dbraw/zinc/64/08/15/592640815.db2.gz GNYFRJNXCMTYLF-UHFFFAOYSA-N 1 2 249.314 1.574 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000890100645 592679002 /nfs/dbraw/zinc/67/90/02/592679002.db2.gz TWXMBXFEKHAZIV-BXKDBHETSA-N 1 2 219.288 1.227 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C[C@H]2CC=CCC2)c1 ZINC000890100336 592679322 /nfs/dbraw/zinc/67/93/22/592679322.db2.gz SLIIKYHISORUHG-NSHDSACASA-N 1 2 233.315 1.783 20 0 BDADLO C/C(=C(/F)C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890104204 592680069 /nfs/dbraw/zinc/68/00/69/592680069.db2.gz VJNWQPQTOCPQQV-FLIBITNWSA-N 1 2 237.278 1.690 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000890106816 592681105 /nfs/dbraw/zinc/68/11/05/592681105.db2.gz FDYMQPAWBNOSKX-DDFAGTSDSA-N 1 2 233.315 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C/C2CCCC2)c1 ZINC000890104663 592682073 /nfs/dbraw/zinc/68/20/73/592682073.db2.gz OTYBJFHDCFMBLJ-VOTSOKGWSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107308 592682092 /nfs/dbraw/zinc/68/20/92/592682092.db2.gz JXGHVVBLGKXZEI-GHMZBOCLSA-N 1 2 221.304 1.328 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCC2CCC2)c1 ZINC000890110811 592684066 /nfs/dbraw/zinc/68/40/66/592684066.db2.gz VXKVBTVUPWBBQJ-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO CC(C(=O)NCc1cn(C)c[nH+]1)=C1CCCC1 ZINC000890110142 592684406 /nfs/dbraw/zinc/68/44/06/592684406.db2.gz LEHKSMFKBUUPIZ-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2ccoc2)c1 ZINC000890110371 592684798 /nfs/dbraw/zinc/68/47/98/592684798.db2.gz NNEAWGIYIAVZQO-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO CCCCO[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890114710 592685254 /nfs/dbraw/zinc/68/52/54/592685254.db2.gz VSCGRCUPVFISHR-SNVBAGLBSA-N 1 2 239.319 1.242 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C=C2CCCCC2)c1 ZINC000890114353 592685751 /nfs/dbraw/zinc/68/57/51/592685751.db2.gz HINBIIAUWXKOJH-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO Cc1oc(C)c(C(=O)NCc2cn(C)c[nH+]2)c1C ZINC000890117561 592686078 /nfs/dbraw/zinc/68/60/78/592686078.db2.gz PTJDFKMSFSJBOJ-UHFFFAOYSA-N 1 2 247.298 1.868 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)c1 ZINC000890120256 592687046 /nfs/dbraw/zinc/68/70/46/592687046.db2.gz XXKMYTJNZNUMSX-NVRFYQKYSA-N 1 2 245.326 1.328 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCOC23CCCC3)c[nH+]1 ZINC000890420541 592698069 /nfs/dbraw/zinc/69/80/69/592698069.db2.gz YWCWBQNLWUUMJN-NSHDSACASA-N 1 2 249.314 1.550 20 0 BDADLO C[C@@H](O)c1ccc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH+]c1 ZINC000123938509 592715553 /nfs/dbraw/zinc/71/55/53/592715553.db2.gz ACDVSABMSWOBBS-MGAJPHDKSA-N 1 2 248.326 1.342 20 0 BDADLO O=C([O-])c1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000236484879 598202348 /nfs/dbraw/zinc/20/23/48/598202348.db2.gz UBOPTRGBZPHIBZ-UHFFFAOYSA-N 1 2 248.326 1.570 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000049501373 598213622 /nfs/dbraw/zinc/21/36/22/598213622.db2.gz LODTVFNMMUZVFJ-QWRGUYRKSA-N 1 2 228.336 1.314 20 0 BDADLO O=C([O-])CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000738575947 600319052 /nfs/dbraw/zinc/31/90/52/600319052.db2.gz LJMLNHDNHYXIBM-UHFFFAOYSA-N 1 2 237.303 1.385 20 0 BDADLO C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000739601770 602045993 /nfs/dbraw/zinc/04/59/93/602045993.db2.gz HTJDBUWETFTTGZ-JTQLQIEISA-N 1 2 243.351 1.059 20 0 BDADLO Cc1cnnc(NCCc2cn(C)c[nH+]2)c1 ZINC000313480885 634475329 /nfs/dbraw/zinc/47/53/29/634475329.db2.gz GPBSGVGFFNXRON-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000233063984 635523988 /nfs/dbraw/zinc/52/39/88/635523988.db2.gz YFRHDZOMSVUWRY-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO CNc1cc(N2CCS[C@H](C)C2)nc[nH+]1 ZINC000123867212 635529058 /nfs/dbraw/zinc/52/90/58/635529058.db2.gz DEYVHRCTDYEONK-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO CNc1cc(N2CCS[C@H](C)C2)[nH+]cn1 ZINC000123867212 635529064 /nfs/dbraw/zinc/52/90/64/635529064.db2.gz DEYVHRCTDYEONK-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO C[C@H]([NH2+]CC[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000090814838 631234446 /nfs/dbraw/zinc/23/44/46/631234446.db2.gz WOUXXPKSZPHVMA-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1CCc1ccns1 ZINC000933326644 631259983 /nfs/dbraw/zinc/25/99/83/631259983.db2.gz FDFIWLSLQPIPTM-SNVBAGLBSA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@@H]1COCC[N@H+]1CCc1ccns1 ZINC000933326644 631259987 /nfs/dbraw/zinc/25/99/87/631259987.db2.gz FDFIWLSLQPIPTM-SNVBAGLBSA-N 1 2 242.344 1.033 20 0 BDADLO C[C@@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000290311918 631275362 /nfs/dbraw/zinc/27/53/62/631275362.db2.gz YNPZNWNAQQRUGM-SNVBAGLBSA-N 1 2 236.319 1.362 20 0 BDADLO Nc1ccc(CNC(=O)C2CCCC2)c[nH+]1 ZINC000308390035 631310578 /nfs/dbraw/zinc/31/05/78/631310578.db2.gz IOOKSTASFLCNJX-UHFFFAOYSA-N 1 2 219.288 1.470 20 0 BDADLO CO[C@@H](C)CCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308391999 631310651 /nfs/dbraw/zinc/31/06/51/631310651.db2.gz NJJRWLCHDKPTKS-VIFPVBQESA-N 1 2 237.303 1.095 20 0 BDADLO CC1(C)C(C(=O)NCc2ccc(N)[nH+]c2)C1(C)C ZINC000308371446 631311419 /nfs/dbraw/zinc/31/14/19/631311419.db2.gz CNBYZYGTZPBYSP-UHFFFAOYSA-N 1 2 247.342 1.962 20 0 BDADLO Cc1oncc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400274 631364157 /nfs/dbraw/zinc/36/41/57/631364157.db2.gz MLAZOHPRYSNDRF-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1oncc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400274 631364165 /nfs/dbraw/zinc/36/41/65/631364165.db2.gz MLAZOHPRYSNDRF-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO C[N@H+](C/C=C\Cl)C[C@@H](O)C(F)(F)F ZINC000308480304 631390815 /nfs/dbraw/zinc/39/08/15/631390815.db2.gz NACANDCOKDJQRX-VROIDLATSA-N 1 2 217.618 1.594 20 0 BDADLO C[N@@H+](C/C=C\Cl)C[C@@H](O)C(F)(F)F ZINC000308480304 631390821 /nfs/dbraw/zinc/39/08/21/631390821.db2.gz NACANDCOKDJQRX-VROIDLATSA-N 1 2 217.618 1.594 20 0 BDADLO CCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000087810764 631482299 /nfs/dbraw/zinc/48/22/99/631482299.db2.gz CSNLUGCFMHHZOY-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000087810764 631482305 /nfs/dbraw/zinc/48/23/05/631482305.db2.gz CSNLUGCFMHHZOY-VIFPVBQESA-N 1 2 224.308 1.481 20 0 BDADLO COCC1([NH2+][C@@H](C)c2nonc2C)CC1 ZINC000925924074 635634368 /nfs/dbraw/zinc/63/43/68/635634368.db2.gz OLPGQWHNDGDIME-ZETCQYMHSA-N 1 2 211.265 1.208 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ocnc1C ZINC000893898060 635634811 /nfs/dbraw/zinc/63/48/11/635634811.db2.gz UPPPCIVTRMTDCL-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ocnc1C ZINC000893898060 635634813 /nfs/dbraw/zinc/63/48/13/635634813.db2.gz UPPPCIVTRMTDCL-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cccnc1Cl ZINC000934014198 631595248 /nfs/dbraw/zinc/59/52/48/631595248.db2.gz AIEWJQVZYRZNBF-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cccnc1Cl ZINC000934014198 631595254 /nfs/dbraw/zinc/59/52/54/631595254.db2.gz AIEWJQVZYRZNBF-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]1CO ZINC000934025170 631601264 /nfs/dbraw/zinc/60/12/64/631601264.db2.gz FLVVOXYJPZIZIV-GFCCVEGCSA-N 1 2 248.326 1.254 20 0 BDADLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H]1CO ZINC000934025170 631601267 /nfs/dbraw/zinc/60/12/67/631601267.db2.gz FLVVOXYJPZIZIV-GFCCVEGCSA-N 1 2 248.326 1.254 20 0 BDADLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H]1CO ZINC000934025312 631602131 /nfs/dbraw/zinc/60/21/31/631602131.db2.gz FJSRFRYMYWSUIH-ZYHUDNBSSA-N 1 2 234.299 1.080 20 0 BDADLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H]1CO ZINC000934025312 631602135 /nfs/dbraw/zinc/60/21/35/631602135.db2.gz FJSRFRYMYWSUIH-ZYHUDNBSSA-N 1 2 234.299 1.080 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000934019337 631618076 /nfs/dbraw/zinc/61/80/76/631618076.db2.gz OZTIDJQGHBOMQE-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000934019337 631618082 /nfs/dbraw/zinc/61/80/82/631618082.db2.gz OZTIDJQGHBOMQE-VIFPVBQESA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000934028225 631625703 /nfs/dbraw/zinc/62/57/03/631625703.db2.gz YDKUVDRDMXRYMK-LDYMZIIASA-N 1 2 243.253 1.065 20 0 BDADLO OC[C@H]1CC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000934028225 631625709 /nfs/dbraw/zinc/62/57/09/631625709.db2.gz YDKUVDRDMXRYMK-LDYMZIIASA-N 1 2 243.253 1.065 20 0 BDADLO C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934031982 631630452 /nfs/dbraw/zinc/63/04/52/631630452.db2.gz OFUHBZDQRKKTOH-QMMMGPOBSA-N 1 2 233.271 1.016 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(C(C)C)no1 ZINC000934132605 631708013 /nfs/dbraw/zinc/70/80/13/631708013.db2.gz RMDVFHQMUNDMCJ-ZJUUUORDSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000934132605 631708017 /nfs/dbraw/zinc/70/80/17/631708017.db2.gz RMDVFHQMUNDMCJ-ZJUUUORDSA-N 1 2 239.319 1.802 20 0 BDADLO CC(C)(C)[C@H](CO)[NH2+]CC(F)(F)C(F)F ZINC000309022728 631798948 /nfs/dbraw/zinc/79/89/48/631798948.db2.gz YEUJBVVQKXEIBJ-LURJTMIESA-N 1 2 231.233 1.883 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)o1 ZINC000934476602 631871818 /nfs/dbraw/zinc/87/18/18/631871818.db2.gz WXEKELIEIBJQGU-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@]2(C)C2CC2)o1 ZINC000934476602 631871820 /nfs/dbraw/zinc/87/18/20/631871820.db2.gz WXEKELIEIBJQGU-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO O[C@H]1CC[N@H+](CCc2ccns2)C[C@H]1F ZINC000934568891 631937087 /nfs/dbraw/zinc/93/70/87/631937087.db2.gz WNAWTUKETNQXIW-ZJUUUORDSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2ccns2)C[C@H]1F ZINC000934568891 631937095 /nfs/dbraw/zinc/93/70/95/631937095.db2.gz WNAWTUKETNQXIW-ZJUUUORDSA-N 1 2 230.308 1.090 20 0 BDADLO CNc1cc(N[C@@H](C)Cn2cccn2)nc[nH+]1 ZINC000130594007 632446338 /nfs/dbraw/zinc/44/63/38/632446338.db2.gz XMWQAKXAZUCJEQ-VIFPVBQESA-N 1 2 232.291 1.215 20 0 BDADLO CNc1cc(N[C@@H](C)Cn2cccn2)[nH+]cn1 ZINC000130594007 632446345 /nfs/dbraw/zinc/44/63/45/632446345.db2.gz XMWQAKXAZUCJEQ-VIFPVBQESA-N 1 2 232.291 1.215 20 0 BDADLO C[C@H]([NH2+]CC1(O)CCC1)C(=O)OC(C)(C)C ZINC000131187694 632453701 /nfs/dbraw/zinc/45/37/01/632453701.db2.gz UQSJWHXCJRZQKJ-VIFPVBQESA-N 1 2 229.320 1.221 20 0 BDADLO COC1CC([NH2+][C@@H](C)C(=O)OCC(C)C)C1 ZINC000309561094 632530249 /nfs/dbraw/zinc/53/02/49/632530249.db2.gz LBKYRBDCSHXANM-WHXUTIOJSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cccnc1C ZINC000309633770 632593293 /nfs/dbraw/zinc/59/32/93/632593293.db2.gz LPJSNSMGGUZZPL-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCc2c[nH+]cn2C)C1 ZINC000291329863 632651573 /nfs/dbraw/zinc/65/15/73/632651573.db2.gz VJWUETCKYOPAOT-VUUNSECVSA-N 1 2 233.315 1.783 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC1(Cl)Cl ZINC000292037153 632653258 /nfs/dbraw/zinc/65/32/58/632653258.db2.gz QQCOTTRAXLAZBR-ZETCQYMHSA-N 1 2 248.113 1.230 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC1(Cl)Cl ZINC000292037145 632653192 /nfs/dbraw/zinc/65/31/92/632653192.db2.gz QQCOTTRAXLAZBR-SSDOTTSWSA-N 1 2 248.113 1.230 20 0 BDADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)C(N)=O ZINC000309759754 632665824 /nfs/dbraw/zinc/66/58/24/632665824.db2.gz IJZMVUMJYRNKOQ-SECBINFHSA-N 1 2 221.304 1.347 20 0 BDADLO CC[S@@](=O)CC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309957163 632686675 /nfs/dbraw/zinc/68/66/75/632686675.db2.gz IYZZHBWXLITOOT-QLJPJBMISA-N 1 2 241.360 1.145 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CC(C)(C)C ZINC000179516758 632740747 /nfs/dbraw/zinc/74/07/47/632740747.db2.gz SHCWYIBAIJBGRH-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179515112 632741001 /nfs/dbraw/zinc/74/10/01/632741001.db2.gz QRGLDAPJJSQMHF-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO O=c1cc(Cn2cc[nH+]c2)c2ccc(O)cc2o1 ZINC000066128425 632843098 /nfs/dbraw/zinc/84/30/98/632843098.db2.gz OJTHYVROBWHTAH-UHFFFAOYSA-N 1 2 242.234 1.743 20 0 BDADLO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000892515354 632868843 /nfs/dbraw/zinc/86/88/43/632868843.db2.gz OBHBDZJWQDRHTH-IONNQARKSA-N 1 2 244.136 1.673 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2cnn(C)n2)c1 ZINC000924563602 632874486 /nfs/dbraw/zinc/87/44/86/632874486.db2.gz HKRYAZWFXOCFKO-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO Cc1cnc(C(=O)OCCn2cc[nH+]c2)cc1C ZINC000923784491 632902136 /nfs/dbraw/zinc/90/21/36/632902136.db2.gz FVPINJKZELAGPX-UHFFFAOYSA-N 1 2 245.282 1.752 20 0 BDADLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000066471001 632919263 /nfs/dbraw/zinc/91/92/63/632919263.db2.gz VYSSLDZTYZDMJJ-GWCFXTLKSA-N 1 2 236.290 1.951 20 0 BDADLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000066471001 632919270 /nfs/dbraw/zinc/91/92/70/632919270.db2.gz VYSSLDZTYZDMJJ-GWCFXTLKSA-N 1 2 236.290 1.951 20 0 BDADLO COc1ccc(C[NH2+]Cc2cccnc2OC)o1 ZINC000892544650 632948828 /nfs/dbraw/zinc/94/88/28/632948828.db2.gz XQCRPHKTKCHDEP-UHFFFAOYSA-N 1 2 248.282 1.982 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)CCOC ZINC000159476924 632962304 /nfs/dbraw/zinc/96/23/04/632962304.db2.gz CRXYDVODNXECET-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)CCOC ZINC000159476924 632962310 /nfs/dbraw/zinc/96/23/10/632962310.db2.gz CRXYDVODNXECET-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000162172907 633022682 /nfs/dbraw/zinc/02/26/82/633022682.db2.gz QXOXARWQPKNCRU-VXGBXAGGSA-N 1 2 245.363 1.715 20 0 BDADLO C[N@H+](Cc1ccco1)CC(C)(C)S(C)(=O)=O ZINC000162166593 633023415 /nfs/dbraw/zinc/02/34/15/633023415.db2.gz QWXALRHXXDRSBD-UHFFFAOYSA-N 1 2 245.344 1.535 20 0 BDADLO C[N@@H+](Cc1ccco1)CC(C)(C)S(C)(=O)=O ZINC000162166593 633023419 /nfs/dbraw/zinc/02/34/19/633023419.db2.gz QWXALRHXXDRSBD-UHFFFAOYSA-N 1 2 245.344 1.535 20 0 BDADLO Cc1nc(N[C@@H](C)Cn2cc[nH+]c2)cc(=O)[nH]1 ZINC000162683862 633034673 /nfs/dbraw/zinc/03/46/73/633034673.db2.gz HITHQSKHMHNBJW-QMMMGPOBSA-N 1 2 233.275 1.188 20 0 BDADLO Cc1nc(N[C@H](C)Cn2cc[nH+]c2)cc(=O)[nH]1 ZINC000162683973 633036080 /nfs/dbraw/zinc/03/60/80/633036080.db2.gz HITHQSKHMHNBJW-MRVPVSSYSA-N 1 2 233.275 1.188 20 0 BDADLO C[C@@H](CNc1cc(N(C)C)nc[nH+]1)C[C@H](C)O ZINC000892644906 633044103 /nfs/dbraw/zinc/04/41/03/633044103.db2.gz IDVOOGHFAGLNPH-ZJUUUORDSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@@H](CNc1cc(N(C)C)[nH+]cn1)C[C@H](C)O ZINC000892644906 633044110 /nfs/dbraw/zinc/04/41/10/633044110.db2.gz IDVOOGHFAGLNPH-ZJUUUORDSA-N 1 2 238.335 1.362 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](O)C2(C)C)nc[nH+]1 ZINC000122307004 633205038 /nfs/dbraw/zinc/20/50/38/633205038.db2.gz PLYXVLUHUJVAHP-YUMQZZPRSA-N 1 2 222.292 1.090 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](O)C2(C)C)[nH+]cn1 ZINC000122307004 633205041 /nfs/dbraw/zinc/20/50/41/633205041.db2.gz PLYXVLUHUJVAHP-YUMQZZPRSA-N 1 2 222.292 1.090 20 0 BDADLO CNc1cc(N2[C@H](C)CC[C@@H]2C)nc[nH+]1 ZINC000892899911 633240947 /nfs/dbraw/zinc/24/09/47/633240947.db2.gz NXXHTFAOUMDOCB-DTORHVGOSA-N 1 2 206.293 1.896 20 0 BDADLO CNc1cc(N2[C@H](C)CC[C@@H]2C)[nH+]cn1 ZINC000892899911 633240949 /nfs/dbraw/zinc/24/09/49/633240949.db2.gz NXXHTFAOUMDOCB-DTORHVGOSA-N 1 2 206.293 1.896 20 0 BDADLO CC1(O)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892912150 633243443 /nfs/dbraw/zinc/24/34/43/633243443.db2.gz UOXPHVOZDZUDAW-UHFFFAOYSA-N 1 2 232.287 1.081 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1C/C(Cl)=C\Cl ZINC000308047822 636053992 /nfs/dbraw/zinc/05/39/92/636053992.db2.gz QGTCNCTUWGDBTM-RVLUYLEASA-N 1 2 210.104 1.761 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1C/C(Cl)=C\Cl ZINC000308047822 636054000 /nfs/dbraw/zinc/05/40/00/636054000.db2.gz QGTCNCTUWGDBTM-RVLUYLEASA-N 1 2 210.104 1.761 20 0 BDADLO c1snnc1C[NH2+]CCOC1CCC1 ZINC000308514553 633741925 /nfs/dbraw/zinc/74/19/25/633741925.db2.gz MEEKHNCVHZSPEL-UHFFFAOYSA-N 1 2 213.306 1.197 20 0 BDADLO C[C@@H](C[NH2+][C@H]1CCOC1=O)c1ccccc1 ZINC000020084931 633809399 /nfs/dbraw/zinc/80/93/99/633809399.db2.gz ZRFWANBRUDBSNZ-JQWIXIFHSA-N 1 2 219.284 1.695 20 0 BDADLO CNc1cc(N(C)[C@@H](CO)CC(C)C)nc[nH+]1 ZINC000893245898 633968860 /nfs/dbraw/zinc/96/88/60/633968860.db2.gz JSCBOCRLFZVRON-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CNc1cc(N(C)[C@@H](CO)CC(C)C)[nH+]cn1 ZINC000893245898 633968864 /nfs/dbraw/zinc/96/88/64/633968864.db2.gz JSCBOCRLFZVRON-SNVBAGLBSA-N 1 2 238.335 1.362 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccco2)n1 ZINC000309649210 633981871 /nfs/dbraw/zinc/98/18/71/633981871.db2.gz RVLADTHFPJAKDV-UHFFFAOYSA-N 1 2 207.233 1.363 20 0 BDADLO COCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895469862 636148262 /nfs/dbraw/zinc/14/82/62/636148262.db2.gz LXZPSSMXFPLPMA-UHFFFAOYSA-N 1 2 239.319 1.079 20 0 BDADLO COCCOC[C@@H](C)Nc1[nH+]cccc1OC ZINC000893267090 634012513 /nfs/dbraw/zinc/01/25/13/634012513.db2.gz WAWFTPBILSCQJR-SNVBAGLBSA-N 1 2 240.303 1.554 20 0 BDADLO Cc1nnc(SCc2ccc(C)[nH+]c2C)n1N ZINC000186369193 634072708 /nfs/dbraw/zinc/07/27/08/634072708.db2.gz OFCUMXMWJDXIJB-UHFFFAOYSA-N 1 2 249.343 1.604 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000930866511 634144057 /nfs/dbraw/zinc/14/40/57/634144057.db2.gz WTAFJFHZSLEYSY-MBNYWOFBSA-N 1 2 249.358 1.840 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000930866511 634144061 /nfs/dbraw/zinc/14/40/61/634144061.db2.gz WTAFJFHZSLEYSY-MBNYWOFBSA-N 1 2 249.358 1.840 20 0 BDADLO Cc1cccc2c1[C@@H]([NH2+]Cc1ncn(C)n1)CC2 ZINC000925671892 634257201 /nfs/dbraw/zinc/25/72/01/634257201.db2.gz FHQXGFOWYKYKPM-LBPRGKRZSA-N 1 2 242.326 1.901 20 0 BDADLO C[NH+](C)[C@@H](C(=O)O[C@H]1CCOC1)c1ccccc1 ZINC000194929192 634339560 /nfs/dbraw/zinc/33/95/60/634339560.db2.gz MYVDWLMBFLFQDH-QWHCGFSZSA-N 1 2 249.310 1.621 20 0 BDADLO FC(F)c1noc(C[NH2+][C@@H]2CCCOC2)n1 ZINC000895726686 636174266 /nfs/dbraw/zinc/17/42/66/636174266.db2.gz FJSFSUSYQQWHRP-ZCFIWIBFSA-N 1 2 233.218 1.276 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000162885832 635148541 /nfs/dbraw/zinc/14/85/41/635148541.db2.gz CKKHRMYGBUCGJY-WDEREUQCSA-N 1 2 229.320 1.200 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCSC2)[nH+]cn1 ZINC000893574309 635176234 /nfs/dbraw/zinc/17/62/34/635176234.db2.gz VVHGUHGYUODJDA-VIFPVBQESA-N 1 2 238.360 1.708 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCSC2)nc[nH+]1 ZINC000893574309 635176239 /nfs/dbraw/zinc/17/62/39/635176239.db2.gz VVHGUHGYUODJDA-VIFPVBQESA-N 1 2 238.360 1.708 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccc(C)c(C)c1 ZINC000258821427 635208822 /nfs/dbraw/zinc/20/88/22/635208822.db2.gz AHTODEMRDVOSRH-UHFFFAOYSA-N 1 2 235.327 1.951 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccc(C)c(C)c1 ZINC000258821427 635208826 /nfs/dbraw/zinc/20/88/26/635208826.db2.gz AHTODEMRDVOSRH-UHFFFAOYSA-N 1 2 235.327 1.951 20 0 BDADLO CCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC000980624253 635243685 /nfs/dbraw/zinc/24/36/85/635243685.db2.gz KWIOJPLPLKNBPW-UHFFFAOYSA-N 1 2 216.300 1.290 20 0 BDADLO CCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980624253 635243691 /nfs/dbraw/zinc/24/36/91/635243691.db2.gz KWIOJPLPLKNBPW-UHFFFAOYSA-N 1 2 216.300 1.290 20 0 BDADLO CCc1cc(N[C@H](CO)COC)nc(CC)[nH+]1 ZINC000893620443 635275392 /nfs/dbraw/zinc/27/53/92/635275392.db2.gz CGZBBGPVCVETTC-SNVBAGLBSA-N 1 2 239.319 1.021 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000924034552 635585330 /nfs/dbraw/zinc/58/53/30/635585330.db2.gz KXZYATIXFLPBBU-KLHWPWHYSA-N 1 2 247.342 1.669 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)n1 ZINC000250190370 635696446 /nfs/dbraw/zinc/69/64/46/635696446.db2.gz OOJXPUDVJNVXSU-DKIAZLNASA-N 1 2 239.319 1.706 20 0 BDADLO CCO[C@H](CC)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927778842 635749138 /nfs/dbraw/zinc/74/91/38/635749138.db2.gz ONAQWEJYQANJLP-SNVBAGLBSA-N 1 2 237.303 1.095 20 0 BDADLO CCn1cc(C[NH+]2CC(C3CCCC3)C2)nn1 ZINC000894836484 635946261 /nfs/dbraw/zinc/94/62/61/635946261.db2.gz OWUFCYQHMLQFKI-UHFFFAOYSA-N 1 2 234.347 1.920 20 0 BDADLO Cc1ccncc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895118473 636065822 /nfs/dbraw/zinc/06/58/22/636065822.db2.gz JFFVJRWGVQGSEO-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccncc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895118473 636065826 /nfs/dbraw/zinc/06/58/26/636065826.db2.gz JFFVJRWGVQGSEO-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO COCC1C[NH+](Cc2ccncc2F)C1 ZINC000895970388 636184998 /nfs/dbraw/zinc/18/49/98/636184998.db2.gz VICMILVYLCWVSD-UHFFFAOYSA-N 1 2 210.252 1.299 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+]C1(CO)CCCC1 ZINC000179062860 636273526 /nfs/dbraw/zinc/27/35/26/636273526.db2.gz CFSAZYKKBNXJNS-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889612696 636537879 /nfs/dbraw/zinc/53/78/79/636537879.db2.gz QKGIYWDOJVRUAE-SDDRHHMPSA-N 1 2 245.326 1.798 20 0 BDADLO COCc1cccc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000310822337 636574064 /nfs/dbraw/zinc/57/40/64/636574064.db2.gz BUXXAYLUVUFJPD-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO Clc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000067667586 636765894 /nfs/dbraw/zinc/76/58/94/636765894.db2.gz FIWWNZIOZNMQQC-UHFFFAOYSA-N 1 2 222.679 1.748 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@H](OC)C2)nc[nH+]1 ZINC000299961815 636804932 /nfs/dbraw/zinc/80/49/32/636804932.db2.gz AAINHHJAOCWABR-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@H](OC)C2)[nH+]cn1 ZINC000299961815 636804937 /nfs/dbraw/zinc/80/49/37/636804937.db2.gz AAINHHJAOCWABR-VHSXEESVSA-N 1 2 236.319 1.380 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC[S@](C)=O)[nH+]1 ZINC000081000508 636808045 /nfs/dbraw/zinc/80/80/45/636808045.db2.gz RDBMAILEYHZRII-MRXNPFEDSA-N 1 2 238.316 1.057 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000929118787 636810534 /nfs/dbraw/zinc/81/05/34/636810534.db2.gz RXYBGRYYNFRAJO-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000929118787 636810537 /nfs/dbraw/zinc/81/05/37/636810537.db2.gz RXYBGRYYNFRAJO-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)Cc1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923753151 636819745 /nfs/dbraw/zinc/81/97/45/636819745.db2.gz OHLFRTGJADPGKV-NXEZZACHSA-N 1 2 239.319 1.660 20 0 BDADLO CC(C)Cc1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923753151 636819748 /nfs/dbraw/zinc/81/97/48/636819748.db2.gz OHLFRTGJADPGKV-NXEZZACHSA-N 1 2 239.319 1.660 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923893804 637015909 /nfs/dbraw/zinc/01/59/09/637015909.db2.gz OOGXFMQLDOFDFB-WDEREUQCSA-N 1 2 227.304 1.380 20 0 BDADLO CC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923893804 637015915 /nfs/dbraw/zinc/01/59/15/637015915.db2.gz OOGXFMQLDOFDFB-WDEREUQCSA-N 1 2 227.304 1.380 20 0 BDADLO CC(C)(CNC(=O)[C@H]1C[C@@H]1C1CC1)n1cc[nH+]c1 ZINC000898908807 637065135 /nfs/dbraw/zinc/06/51/35/637065135.db2.gz AXGPGSCFVOUVLE-NEPJUHHUSA-N 1 2 247.342 1.781 20 0 BDADLO CCC[C@@H](O)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999244 637226001 /nfs/dbraw/zinc/22/60/01/637226001.db2.gz ZTLQZOBFALFZGK-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000162244820 637313801 /nfs/dbraw/zinc/31/38/01/637313801.db2.gz FIYIGOQTTGPNLW-WDEREUQCSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000903437731 637362181 /nfs/dbraw/zinc/36/21/81/637362181.db2.gz QFTGAIUMLZYMTL-CKLFPEKLSA-N 1 2 235.331 1.794 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(C2CSC2)n1 ZINC000904264915 637395162 /nfs/dbraw/zinc/39/51/62/637395162.db2.gz CUSJATNEGWIZIK-UHFFFAOYSA-N 1 2 248.311 1.853 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(C2(F)CC2)n1 ZINC000904268650 637395469 /nfs/dbraw/zinc/39/54/69/637395469.db2.gz XWCOCZGLNIMXSL-UHFFFAOYSA-N 1 2 234.234 1.981 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2C[C@@H](O)C2)n1 ZINC000904265266 637395564 /nfs/dbraw/zinc/39/55/64/637395564.db2.gz WLUBDVCJBAAPAN-OCAPTIKFSA-N 1 2 246.270 1.261 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905268770 637727996 /nfs/dbraw/zinc/72/79/96/637727996.db2.gz ROAABBITVNAWJY-SECBINFHSA-N 1 2 237.290 1.287 20 0 BDADLO NC1(c2noc(C3([NH3+])CCCCC3)n2)CC1 ZINC000905315835 637743396 /nfs/dbraw/zinc/74/33/96/637743396.db2.gz YFLUIWLNIFOHAF-UHFFFAOYSA-N 1 2 222.292 1.136 20 0 BDADLO CC[C@H](C)[C@H](N)c1nc(C2([NH3+])CC2)no1 ZINC000905315463 637744739 /nfs/dbraw/zinc/74/47/39/637744739.db2.gz UEGBRFCAYRIBHB-BQBZGAKWSA-N 1 2 210.281 1.063 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCc1ccco1)C(=O)OC ZINC000905747141 637896595 /nfs/dbraw/zinc/89/65/95/637896595.db2.gz JXDYSSOFMWDUOL-PWSUYJOCSA-N 1 2 239.315 1.999 20 0 BDADLO CC[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)OC(C)(C)C ZINC000905867036 637952787 /nfs/dbraw/zinc/95/27/87/637952787.db2.gz MGWVLHSYULGQFO-OUAUKWLOSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@](O)(C[N@@H+]1CCO[C@@H](C)C1)C(F)(F)F ZINC000905893830 637968776 /nfs/dbraw/zinc/96/87/76/637968776.db2.gz BOBIXVXFPPHNCL-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@](O)(C[N@H+]1CCO[C@@H](C)C1)C(F)(F)F ZINC000905893830 637968783 /nfs/dbraw/zinc/96/87/83/637968783.db2.gz BOBIXVXFPPHNCL-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1cccnc1 ZINC000906286362 638128918 /nfs/dbraw/zinc/12/89/18/638128918.db2.gz BKWWWIUUUNDVPA-JTQLQIEISA-N 1 2 243.314 1.859 20 0 BDADLO CC1=CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906299158 638135968 /nfs/dbraw/zinc/13/59/68/638135968.db2.gz PBUMRTOTVKPCHE-UHFFFAOYSA-N 1 2 218.304 1.765 20 0 BDADLO CC1=CCC[N@@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906299158 638135975 /nfs/dbraw/zinc/13/59/75/638135975.db2.gz PBUMRTOTVKPCHE-UHFFFAOYSA-N 1 2 218.304 1.765 20 0 BDADLO FC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906323971 638144221 /nfs/dbraw/zinc/14/42/21/638144221.db2.gz HDVCSEKMABZPPP-UHFFFAOYSA-N 1 2 224.283 1.547 20 0 BDADLO Cc1cc(C)c(C(=O)NC2CCOCC2)c(C)[nH+]1 ZINC000906332815 638145994 /nfs/dbraw/zinc/14/59/94/638145994.db2.gz BNQKWEQTMPKDAI-UHFFFAOYSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)cc[nH+]1 ZINC000906662248 638229348 /nfs/dbraw/zinc/22/93/48/638229348.db2.gz VVIPMKVSWVYZAM-OLZOCXBDSA-N 1 2 246.310 1.566 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H](CO)C2CC2)c(C)[nH+]1 ZINC000907202203 638317314 /nfs/dbraw/zinc/31/73/14/638317314.db2.gz RCYFEFRXEFOLAI-LBPRGKRZSA-N 1 2 248.326 1.508 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907593684 638414173 /nfs/dbraw/zinc/41/41/73/638414173.db2.gz MGBUASUNPDCSDQ-RKDXNWHRSA-N 1 2 207.277 1.257 20 0 BDADLO CCOC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000907672227 638441984 /nfs/dbraw/zinc/44/19/84/638441984.db2.gz LGMLAEDSIANQGM-NSHDSACASA-N 1 2 239.319 1.130 20 0 BDADLO CCCn1ccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000907684348 638445410 /nfs/dbraw/zinc/44/54/10/638445410.db2.gz QJSYBVDBKJJPFS-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO Cc1cscc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907799684 638475660 /nfs/dbraw/zinc/47/56/60/638475660.db2.gz DIOKLZGCYXWCHU-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@H]1C1CC1 ZINC000907940233 638515558 /nfs/dbraw/zinc/51/55/58/638515558.db2.gz NIGCLNWNAUDKHS-WDEREUQCSA-N 1 2 231.299 1.408 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1NC(=O)Cn1cc[nH+]c1 ZINC000907987154 638537281 /nfs/dbraw/zinc/53/72/81/638537281.db2.gz JLPZERSDDIFCJX-PHIMTYICSA-N 1 2 236.319 1.177 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908133460 638578105 /nfs/dbraw/zinc/57/81/05/638578105.db2.gz CAGNJHUHTGIPGO-USYJTPIQSA-N 1 2 239.706 1.457 20 0 BDADLO CC(C)SCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908192522 638597822 /nfs/dbraw/zinc/59/78/22/638597822.db2.gz SVJGUHMXKSINCZ-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000908288210 638634442 /nfs/dbraw/zinc/63/44/42/638634442.db2.gz AXSVLOPBDRDNJH-NXEZZACHSA-N 1 2 237.303 1.033 20 0 BDADLO CC(C)[C@H]1N(C(=O)Cc2c[nH+]c[nH]2)CC12CCC2 ZINC000908344335 638658815 /nfs/dbraw/zinc/65/88/15/638658815.db2.gz NGVDUNOYDXLGIH-CYBMUJFWSA-N 1 2 247.342 1.989 20 0 BDADLO Cc1ccoc1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908360185 638667234 /nfs/dbraw/zinc/66/72/34/638667234.db2.gz SUYIVXJXFYDSDW-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CCN(CC(C)=O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000908385993 638685557 /nfs/dbraw/zinc/68/55/57/638685557.db2.gz UCGWXFHPRMNAMQ-SNVBAGLBSA-N 1 2 237.303 1.272 20 0 BDADLO CC(C)(C)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000908422503 638704919 /nfs/dbraw/zinc/70/49/19/638704919.db2.gz OAQTWMYVZUJMSR-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO CCOC1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000908455990 638743485 /nfs/dbraw/zinc/74/34/85/638743485.db2.gz UHEMYJGIEVKOLC-UHFFFAOYSA-N 1 2 248.326 1.868 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000909047760 639130113 /nfs/dbraw/zinc/13/01/13/639130113.db2.gz UBUMCNQADKQHOB-OCCSQVGLSA-N 1 2 245.326 1.599 20 0 BDADLO CC(=O)CCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000909105141 639156618 /nfs/dbraw/zinc/15/66/18/639156618.db2.gz CPYNQQKXBVTVPC-UHFFFAOYSA-N 1 2 237.303 1.218 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(F)ncn1 ZINC000150027132 639289451 /nfs/dbraw/zinc/28/94/51/639289451.db2.gz SXFKCCHEFLKDDE-MRVPVSSYSA-N 1 2 221.239 1.313 20 0 BDADLO COC1([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000910464198 639458033 /nfs/dbraw/zinc/45/80/33/639458033.db2.gz ABFYZCQVNODCIP-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CC(F)(F)F ZINC000910437885 639460024 /nfs/dbraw/zinc/46/00/24/639460024.db2.gz DZBZQYVXEABPML-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO Cc1cc(=O)[nH]c(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000910608107 639483154 /nfs/dbraw/zinc/48/31/54/639483154.db2.gz NZSLSCHHXHVCGH-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO Cc1cc(=O)[nH]c(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000910608107 639483158 /nfs/dbraw/zinc/48/31/58/639483158.db2.gz NZSLSCHHXHVCGH-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO Cc1cc(CNC(=O)CC2COC2)cc(C)[nH+]1 ZINC000911172521 639593575 /nfs/dbraw/zinc/59/35/75/639593575.db2.gz QUJUBSWWZZREAD-UHFFFAOYSA-N 1 2 234.299 1.351 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000911485945 639655755 /nfs/dbraw/zinc/65/57/55/639655755.db2.gz LUTKCNPZSKXVON-JQWIXIFHSA-N 1 2 233.315 1.743 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930252368 639661216 /nfs/dbraw/zinc/66/12/16/639661216.db2.gz UZYGSHNQQYTLSQ-YBNBSHPMSA-N 1 2 241.331 1.603 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930252368 639661225 /nfs/dbraw/zinc/66/12/25/639661225.db2.gz UZYGSHNQQYTLSQ-YBNBSHPMSA-N 1 2 241.331 1.603 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nncs2)[C@@H](C)C1 ZINC000930322321 639701857 /nfs/dbraw/zinc/70/18/57/639701857.db2.gz IVAOKVIDKJBYRZ-DTWKUNHWSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nncs2)[C@@H](C)C1 ZINC000930322321 639701861 /nfs/dbraw/zinc/70/18/61/639701861.db2.gz IVAOKVIDKJBYRZ-DTWKUNHWSA-N 1 2 227.333 1.537 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)s1 ZINC000930376020 639736789 /nfs/dbraw/zinc/73/67/89/639736789.db2.gz CPOVDQBLGBTQDM-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@]3(C2)CCCOC3)s1 ZINC000930376020 639736842 /nfs/dbraw/zinc/73/68/42/639736842.db2.gz CPOVDQBLGBTQDM-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO C[C@@]1([NH2+]CCCc2cccnc2)CCOC1=O ZINC000930521387 639798343 /nfs/dbraw/zinc/79/83/43/639798343.db2.gz GYQHRPSWZASLJE-CYBMUJFWSA-N 1 2 234.299 1.309 20 0 BDADLO CC[N@H+](Cc1c(F)cncc1F)[C@H](C)CO ZINC000930537831 639806526 /nfs/dbraw/zinc/80/65/26/639806526.db2.gz GPCDNTHVUFSRFX-MRVPVSSYSA-N 1 2 230.258 1.563 20 0 BDADLO CC[N@@H+](Cc1c(F)cncc1F)[C@H](C)CO ZINC000930537831 639806527 /nfs/dbraw/zinc/80/65/27/639806527.db2.gz GPCDNTHVUFSRFX-MRVPVSSYSA-N 1 2 230.258 1.563 20 0 BDADLO CON1CC[C@@H]([N@H+](C)Cc2occc2C)C1=O ZINC000930554548 639810526 /nfs/dbraw/zinc/81/05/26/639810526.db2.gz NIYGBJZXCJGOOJ-SNVBAGLBSA-N 1 2 238.287 1.182 20 0 BDADLO CON1CC[C@@H]([N@@H+](C)Cc2occc2C)C1=O ZINC000930554548 639810527 /nfs/dbraw/zinc/81/05/27/639810527.db2.gz NIYGBJZXCJGOOJ-SNVBAGLBSA-N 1 2 238.287 1.182 20 0 BDADLO C[N@H+](Cc1nncs1)[C@@H](CO)CC(C)(C)C ZINC000930648895 639842641 /nfs/dbraw/zinc/84/26/41/639842641.db2.gz BWUFSGAIGJLAPV-SECBINFHSA-N 1 2 243.376 1.767 20 0 BDADLO C[N@@H+](Cc1nncs1)[C@@H](CO)CC(C)(C)C ZINC000930648895 639842643 /nfs/dbraw/zinc/84/26/43/639842643.db2.gz BWUFSGAIGJLAPV-SECBINFHSA-N 1 2 243.376 1.767 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930665721 639852829 /nfs/dbraw/zinc/85/28/29/639852829.db2.gz PZVPIULZSKFAFH-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930665721 639852834 /nfs/dbraw/zinc/85/28/34/639852834.db2.gz PZVPIULZSKFAFH-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@@](COC)([NH2+]CC1CC(C)C1)C(=O)OC ZINC000930684161 639860189 /nfs/dbraw/zinc/86/01/89/639860189.db2.gz MHXBHVHZINUHKD-XIVSLSHWSA-N 1 2 243.347 1.590 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC=C(Cl)Cl ZINC000911962249 639906203 /nfs/dbraw/zinc/90/62/03/639906203.db2.gz LSVOMOMSLZOPGQ-UHFFFAOYSA-N 1 2 234.086 1.387 20 0 BDADLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CC=CC1 ZINC000912045756 639934146 /nfs/dbraw/zinc/93/41/46/639934146.db2.gz DQKKJLSKRWDUCB-UHFFFAOYSA-N 1 2 205.261 1.177 20 0 BDADLO CC1(C)C[C@@H](NC(=O)CNc2cccc[nH+]2)CO1 ZINC000912281574 640015821 /nfs/dbraw/zinc/01/58/21/640015821.db2.gz QWJNVEWXKKNMGJ-SNVBAGLBSA-N 1 2 249.314 1.177 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000931035217 640028897 /nfs/dbraw/zinc/02/88/97/640028897.db2.gz HKJVLIMFEVFPNG-CQSZACIVSA-N 1 2 246.310 1.973 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000931035217 640028902 /nfs/dbraw/zinc/02/89/02/640028902.db2.gz HKJVLIMFEVFPNG-CQSZACIVSA-N 1 2 246.310 1.973 20 0 BDADLO Cc1csc([C@@H](C)[NH2+]CCS(C)(=O)=O)n1 ZINC000080310840 711482921 /nfs/dbraw/zinc/48/29/21/711482921.db2.gz PPAJQONAOIPIAP-MRVPVSSYSA-N 1 2 248.373 1.147 20 0 BDADLO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931134073 640073695 /nfs/dbraw/zinc/07/36/95/640073695.db2.gz IMZJERAMMNTELT-UWVGGRQHSA-N 1 2 208.309 1.988 20 0 BDADLO CC[C@H](C)C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931134073 640073698 /nfs/dbraw/zinc/07/36/98/640073698.db2.gz IMZJERAMMNTELT-UWVGGRQHSA-N 1 2 208.309 1.988 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]23CCOC3)n[nH]1 ZINC000931144613 640078188 /nfs/dbraw/zinc/07/81/88/640078188.db2.gz YFIVXJMQIKAJNP-GMXVVIOVSA-N 1 2 248.330 1.368 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2C[C@@]23CCOC3)n[nH]1 ZINC000931144613 640078195 /nfs/dbraw/zinc/07/81/95/640078195.db2.gz YFIVXJMQIKAJNP-GMXVVIOVSA-N 1 2 248.330 1.368 20 0 BDADLO C[N@H+](CCCC1CCC1)C1CS(=O)(=O)C1 ZINC000931234607 640108115 /nfs/dbraw/zinc/10/81/15/640108115.db2.gz WFIZJAQNGYKAIL-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO C[N@@H+](CCCC1CCC1)C1CS(=O)(=O)C1 ZINC000931234607 640108117 /nfs/dbraw/zinc/10/81/17/640108117.db2.gz WFIZJAQNGYKAIL-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCCO1 ZINC000912584977 640121864 /nfs/dbraw/zinc/12/18/64/640121864.db2.gz WBAGUDOPCIWLKK-NHCYSSNCSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCCO1 ZINC000912584978 640122423 /nfs/dbraw/zinc/12/24/23/640122423.db2.gz WBAGUDOPCIWLKK-UMNHJUIQSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)[C@H]1CCCO1 ZINC000912584976 640122637 /nfs/dbraw/zinc/12/26/37/640122637.db2.gz WBAGUDOPCIWLKK-JBLDHEPKSA-N 1 2 249.314 1.259 20 0 BDADLO CC(C)(CNC(=O)C1=CCCC1)n1cc[nH+]c1 ZINC000912615247 640136960 /nfs/dbraw/zinc/13/69/60/640136960.db2.gz JCLRNZRANFKGFD-UHFFFAOYSA-N 1 2 233.315 1.845 20 0 BDADLO CC(C)(CNC(=O)C1=COCC1)n1cc[nH+]c1 ZINC000912615349 640139551 /nfs/dbraw/zinc/13/95/51/640139551.db2.gz MHRIMYJBJYYKGT-UHFFFAOYSA-N 1 2 235.287 1.039 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000931424524 640192483 /nfs/dbraw/zinc/19/24/83/640192483.db2.gz HWHHBIQMXUEBMR-WCABBAIRSA-N 1 2 217.259 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000931424524 640192488 /nfs/dbraw/zinc/19/24/88/640192488.db2.gz HWHHBIQMXUEBMR-WCABBAIRSA-N 1 2 217.259 1.752 20 0 BDADLO Cn1cnn(C[NH+]2C3CCC2CC3)c1=S ZINC000912788627 640201837 /nfs/dbraw/zinc/20/18/37/640201837.db2.gz IHJAVPNHXUEKIV-UHFFFAOYSA-N 1 2 224.333 1.535 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461601 640220096 /nfs/dbraw/zinc/22/00/96/640220096.db2.gz VZUIAHBOEUFMIB-XPUUQOCRSA-N 1 2 249.236 1.252 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461601 640220098 /nfs/dbraw/zinc/22/00/98/640220098.db2.gz VZUIAHBOEUFMIB-XPUUQOCRSA-N 1 2 249.236 1.252 20 0 BDADLO CCn1ncc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)n1 ZINC000931463364 640224805 /nfs/dbraw/zinc/22/48/05/640224805.db2.gz VAOITCIRTFETKZ-SECBINFHSA-N 1 2 246.318 1.140 20 0 BDADLO CCn1ncc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)n1 ZINC000931463364 640224809 /nfs/dbraw/zinc/22/48/09/640224809.db2.gz VAOITCIRTFETKZ-SECBINFHSA-N 1 2 246.318 1.140 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ncccn1 ZINC000931570860 640278041 /nfs/dbraw/zinc/27/80/41/640278041.db2.gz NRAVJMRQCZMQQT-GHMZBOCLSA-N 1 2 243.314 1.859 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](CC)CO ZINC000931774811 640367093 /nfs/dbraw/zinc/36/70/93/640367093.db2.gz NVAWIMAOFDRXRM-QWRGUYRKSA-N 1 2 231.336 1.325 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932334518 640478600 /nfs/dbraw/zinc/47/86/00/640478600.db2.gz GKBJTKJDKSRTPA-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCO[C@@H](C)CC2)[nH]1 ZINC000932334518 640478604 /nfs/dbraw/zinc/47/86/04/640478604.db2.gz GKBJTKJDKSRTPA-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@@H](C)CC2)oc1C ZINC000932346874 640491350 /nfs/dbraw/zinc/49/13/50/640491350.db2.gz YTCLUEHJJCWIGL-VIFPVBQESA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@@H](C)CC2)oc1C ZINC000932346874 640491355 /nfs/dbraw/zinc/49/13/55/640491355.db2.gz YTCLUEHJJCWIGL-VIFPVBQESA-N 1 2 224.304 1.902 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CCF ZINC000932434613 640527282 /nfs/dbraw/zinc/52/72/82/640527282.db2.gz NTWQDFUBBJKQNX-VIFPVBQESA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CCF ZINC000932434613 640527291 /nfs/dbraw/zinc/52/72/91/640527291.db2.gz NTWQDFUBBJKQNX-VIFPVBQESA-N 1 2 216.300 1.335 20 0 BDADLO COc1cccc([C@@H](C)[NH+]2CC(NC(C)=O)C2)c1 ZINC001030039314 640529131 /nfs/dbraw/zinc/52/91/31/640529131.db2.gz FKCMNEMDUYIUHF-SNVBAGLBSA-N 1 2 248.326 1.577 20 0 BDADLO CC(=O)NC1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001030040284 640534118 /nfs/dbraw/zinc/53/41/18/640534118.db2.gz ORLOGHPVYNQONU-AWEZNQCLSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)C=CCC1 ZINC000932475414 640543191 /nfs/dbraw/zinc/54/31/91/640543191.db2.gz PCEZPWUVFAHIFX-GFCCVEGCSA-N 1 2 219.288 1.425 20 0 BDADLO C[C@@H]1COC[C@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000932488185 640553390 /nfs/dbraw/zinc/55/33/90/640553390.db2.gz KNJXNGCRBGXPJL-PSASIEDQSA-N 1 2 237.303 1.462 20 0 BDADLO COC[C@H](C)[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030060409 640559587 /nfs/dbraw/zinc/55/95/87/640559587.db2.gz DPHPMWXLRHTDMX-NSHDSACASA-N 1 2 248.326 1.136 20 0 BDADLO CCCCc1nc(C[NH2+][C@@H]2COC[C@@H]2C)no1 ZINC000932501131 640559895 /nfs/dbraw/zinc/55/98/95/640559895.db2.gz NWDYVIUVMLJLTJ-VHSXEESVSA-N 1 2 239.319 1.537 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cccc3C2)n(C)n1 ZINC000932526867 640565701 /nfs/dbraw/zinc/56/57/01/640565701.db2.gz SCAOKJDIKCBDAU-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cccc3C2)n(C)n1 ZINC000932526867 640565708 /nfs/dbraw/zinc/56/57/08/640565708.db2.gz SCAOKJDIKCBDAU-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604535 640581877 /nfs/dbraw/zinc/58/18/77/640581877.db2.gz BIIQBHMCWCJNHT-JTQLQIEISA-N 1 2 235.331 1.205 20 0 BDADLO C[C@H](CO)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604535 640581882 /nfs/dbraw/zinc/58/18/82/640581882.db2.gz BIIQBHMCWCJNHT-JTQLQIEISA-N 1 2 235.331 1.205 20 0 BDADLO C[C@@H]1C(=O)CCC[N@H+]1CCC[C@H]1CCOC1 ZINC000932849479 640623209 /nfs/dbraw/zinc/62/32/09/640623209.db2.gz RJDYJFWXMVAGHN-NEPJUHHUSA-N 1 2 225.332 1.857 20 0 BDADLO C[C@@H]1C(=O)CCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000932849479 640623213 /nfs/dbraw/zinc/62/32/13/640623213.db2.gz RJDYJFWXMVAGHN-NEPJUHHUSA-N 1 2 225.332 1.857 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CCCCCC2)C1 ZINC001030151513 640635349 /nfs/dbraw/zinc/63/53/49/640635349.db2.gz KIQCOQWJEXRUAP-UHFFFAOYSA-N 1 2 224.348 1.777 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cncs1)C2 ZINC000933253570 640689754 /nfs/dbraw/zinc/68/97/54/640689754.db2.gz REVDRSFUKAQDPT-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO CC[NH+]1CC(NC(=O)c2coc(C)c2)C1 ZINC001030250784 640708024 /nfs/dbraw/zinc/70/80/24/640708024.db2.gz YWMWAFQUHWFIND-UHFFFAOYSA-N 1 2 208.261 1.022 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc3occc3c2)C1 ZINC001030354076 640783897 /nfs/dbraw/zinc/78/38/97/640783897.db2.gz KNSGWRMTUXKYSH-UHFFFAOYSA-N 1 2 244.294 1.867 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C=O)oc1C ZINC000933992601 640800926 /nfs/dbraw/zinc/80/09/26/640800926.db2.gz IIHXMSFVONUATD-UHFFFAOYSA-N 1 2 247.254 1.362 20 0 BDADLO O=C(C[N@H+](Cc1ccoc1)C1CC1)N1CCC1 ZINC000934006120 640805418 /nfs/dbraw/zinc/80/54/18/640805418.db2.gz GSCWBCMFRLDHNZ-UHFFFAOYSA-N 1 2 234.299 1.476 20 0 BDADLO O=C(C[N@@H+](Cc1ccoc1)C1CC1)N1CCC1 ZINC000934006120 640805422 /nfs/dbraw/zinc/80/54/22/640805422.db2.gz GSCWBCMFRLDHNZ-UHFFFAOYSA-N 1 2 234.299 1.476 20 0 BDADLO CC(C)C[NH+]1CC(NC(=O)c2ccns2)C1 ZINC001030386275 640812051 /nfs/dbraw/zinc/81/20/51/640812051.db2.gz FVTMKJFHEWVAJV-UHFFFAOYSA-N 1 2 239.344 1.213 20 0 BDADLO CC(=O)Oc1ccc(C[NH+]2CCOCC2)cc1 ZINC000059686294 640824782 /nfs/dbraw/zinc/82/47/82/640824782.db2.gz UVYZGQQUDPVKSW-UHFFFAOYSA-N 1 2 235.283 1.444 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)C1(F)CCCC1 ZINC001030576017 640923683 /nfs/dbraw/zinc/92/36/83/640923683.db2.gz DIFDAADCRISEKL-UHFFFAOYSA-N 1 2 246.301 1.429 20 0 BDADLO CCCNc1cc(NCCCCCO)nc[nH+]1 ZINC000229270062 640941742 /nfs/dbraw/zinc/94/17/42/640941742.db2.gz NAJNNWKDMMPUKR-UHFFFAOYSA-N 1 2 238.335 1.873 20 0 BDADLO CCCNc1cc(NCCCCCO)[nH+]cn1 ZINC000229270062 640941745 /nfs/dbraw/zinc/94/17/45/640941745.db2.gz NAJNNWKDMMPUKR-UHFFFAOYSA-N 1 2 238.335 1.873 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCSC2=O)CCS1 ZINC000171605888 640995455 /nfs/dbraw/zinc/99/54/55/640995455.db2.gz IVGWZSQVAFSRTP-MRVPVSSYSA-N 1 2 232.374 1.550 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCSC2=O)CCS1 ZINC000171605888 640995457 /nfs/dbraw/zinc/99/54/57/640995457.db2.gz IVGWZSQVAFSRTP-MRVPVSSYSA-N 1 2 232.374 1.550 20 0 BDADLO CNc1cc(N[C@H](C)CC[S@](C)=O)[nH+]cn1 ZINC000230115595 641027864 /nfs/dbraw/zinc/02/78/64/641027864.db2.gz AITZKPITMIKLHC-BCTVWOGZSA-N 1 2 242.348 1.087 20 0 BDADLO CC1(C)OC[C@H](CNc2cccc[nH+]2)O1 ZINC000230234174 641040589 /nfs/dbraw/zinc/04/05/89/641040589.db2.gz KTONVQRNQDWTGD-VIFPVBQESA-N 1 2 208.261 1.645 20 0 BDADLO CNc1cc(NCc2scnc2C)nc[nH+]1 ZINC000087829740 641064112 /nfs/dbraw/zinc/06/41/12/641064112.db2.gz DTIYGYQSMKCJKR-UHFFFAOYSA-N 1 2 235.316 1.895 20 0 BDADLO CNc1cc(NCc2scnc2C)[nH+]cn1 ZINC000087829740 641064119 /nfs/dbraw/zinc/06/41/19/641064119.db2.gz DTIYGYQSMKCJKR-UHFFFAOYSA-N 1 2 235.316 1.895 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106362 641068741 /nfs/dbraw/zinc/06/87/41/641068741.db2.gz TXVPCJMODGDEQY-MNOVXSKESA-N 1 2 223.320 1.636 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000934106362 641068742 /nfs/dbraw/zinc/06/87/42/641068742.db2.gz TXVPCJMODGDEQY-MNOVXSKESA-N 1 2 223.320 1.636 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1CN1CCSC1=O ZINC000172514540 641069453 /nfs/dbraw/zinc/06/94/53/641069453.db2.gz GELQVYXXABJOQA-MRVPVSSYSA-N 1 2 232.374 1.550 20 0 BDADLO C[C@@H]1CSCC[N@H+]1CN1CCSC1=O ZINC000172514540 641069456 /nfs/dbraw/zinc/06/94/56/641069456.db2.gz GELQVYXXABJOQA-MRVPVSSYSA-N 1 2 232.374 1.550 20 0 BDADLO C[C@H]1C[N@H+](Cn2cccnc2=S)CCCO1 ZINC000172494295 641069748 /nfs/dbraw/zinc/06/97/48/641069748.db2.gz IJSHFBJHBWOKMP-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO C[C@H]1C[N@@H+](Cn2cccnc2=S)CCCO1 ZINC000172494295 641069750 /nfs/dbraw/zinc/06/97/50/641069750.db2.gz IJSHFBJHBWOKMP-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO COC[C@@H]([NH2+]CC(F)(F)C(F)F)C1CC1 ZINC000230618081 641073716 /nfs/dbraw/zinc/07/37/16/641073716.db2.gz WECGRCNYQGEBFA-SSDOTTSWSA-N 1 2 229.217 1.901 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)OCC(C)C ZINC000934118599 641082324 /nfs/dbraw/zinc/08/23/24/641082324.db2.gz UOKNGVLFOMKXRZ-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)OCC(C)C ZINC000934118599 641082329 /nfs/dbraw/zinc/08/23/29/641082329.db2.gz UOKNGVLFOMKXRZ-GHMZBOCLSA-N 1 2 229.320 1.295 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)OCC(C)C ZINC000934118606 641084440 /nfs/dbraw/zinc/08/44/40/641084440.db2.gz UOKNGVLFOMKXRZ-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)OCC(C)C ZINC000934118606 641084444 /nfs/dbraw/zinc/08/44/44/641084444.db2.gz UOKNGVLFOMKXRZ-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934567944 641200642 /nfs/dbraw/zinc/20/06/42/641200642.db2.gz SXYZARFHTNCGRW-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncsc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934567944 641200646 /nfs/dbraw/zinc/20/06/46/641200646.db2.gz SXYZARFHTNCGRW-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO c1nonc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696061 641249511 /nfs/dbraw/zinc/24/95/11/641249511.db2.gz CEVWOIFQEVABKZ-LBPRGKRZSA-N 1 2 230.271 1.706 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001030722208 641322258 /nfs/dbraw/zinc/32/22/58/641322258.db2.gz SLXOIMIWYBKBCQ-ZSBIGDGJSA-N 1 2 236.359 1.633 20 0 BDADLO CCC(=O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935149486 641350102 /nfs/dbraw/zinc/35/01/02/641350102.db2.gz APZZBUGXZSUPEY-UHFFFAOYSA-N 1 2 231.255 1.272 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000935189976 641360058 /nfs/dbraw/zinc/36/00/58/641360058.db2.gz QLKGPLKCRPHZAV-PELKAZGASA-N 1 2 245.282 1.016 20 0 BDADLO O=C(CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC000935203896 641363219 /nfs/dbraw/zinc/36/32/19/641363219.db2.gz LOTQZAZXXVUCNF-UHFFFAOYSA-N 1 2 243.266 1.272 20 0 BDADLO C[C@@H](c1nc(Cc2ccccn2)no1)[NH+](C)C ZINC000350590634 641363339 /nfs/dbraw/zinc/36/33/39/641363339.db2.gz FLFLRQPHCZZKKQ-VIFPVBQESA-N 1 2 232.287 1.678 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(C)CC=CC1 ZINC000935329560 641387705 /nfs/dbraw/zinc/38/77/05/641387705.db2.gz QLVQASOYYMQDQS-UHFFFAOYSA-N 1 2 233.315 1.435 20 0 BDADLO CCc1ccoc1C(=O)NC1C[NH+](C(C)C)C1 ZINC001030907226 641414008 /nfs/dbraw/zinc/41/40/08/641414008.db2.gz XBYGBDADVSLSEN-UHFFFAOYSA-N 1 2 236.315 1.664 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCC[C@@H]2C)C1 ZINC001030905216 641414343 /nfs/dbraw/zinc/41/43/43/641414343.db2.gz GDXFOGLAKDVUJK-GXFFZTMASA-N 1 2 224.348 1.633 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cnns1 ZINC000935526911 641422562 /nfs/dbraw/zinc/42/25/62/641422562.db2.gz IANYSKRUVHGFMK-QMMMGPOBSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cnns1 ZINC000935526911 641422563 /nfs/dbraw/zinc/42/25/63/641422563.db2.gz IANYSKRUVHGFMK-QMMMGPOBSA-N 1 2 240.332 1.349 20 0 BDADLO CC(C)(CNC(=O)Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000913754964 641466932 /nfs/dbraw/zinc/46/69/32/641466932.db2.gz DSOKLQZSMAFUTE-UHFFFAOYSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@@H](O)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935708656 641466952 /nfs/dbraw/zinc/46/69/52/641466952.db2.gz LHXFAVZPLOVBAL-SECBINFHSA-N 1 2 247.298 1.454 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@H]2C[C@H](O)C2)c(C)[nH+]1 ZINC000913800499 641481699 /nfs/dbraw/zinc/48/16/99/641481699.db2.gz PNQYANMQPFUGDC-HAQNSBGRSA-N 1 2 248.326 1.508 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)c2ccco2)C1 ZINC001030943785 641489074 /nfs/dbraw/zinc/48/90/74/641489074.db2.gz USZGOPBEXUSHAK-SECBINFHSA-N 1 2 222.288 1.203 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001031006769 641583797 /nfs/dbraw/zinc/58/37/97/641583797.db2.gz XQMXEIZQNYBKJK-GFCCVEGCSA-N 1 2 234.343 1.553 20 0 BDADLO C[C@H]1CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000914154220 641587734 /nfs/dbraw/zinc/58/77/34/641587734.db2.gz XNQJNTRQLISYDA-JTQLQIEISA-N 1 2 233.315 1.383 20 0 BDADLO CCCNc1cc(NC[C@](C)(O)CC)nc[nH+]1 ZINC000156413379 641606497 /nfs/dbraw/zinc/60/64/97/641606497.db2.gz MVPCRDAWKRDODT-GFCCVEGCSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NC[C@](C)(O)CC)[nH+]cn1 ZINC000156413379 641606502 /nfs/dbraw/zinc/60/65/02/641606502.db2.gz MVPCRDAWKRDODT-GFCCVEGCSA-N 1 2 238.335 1.871 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000157859756 641624395 /nfs/dbraw/zinc/62/43/95/641624395.db2.gz LBDWGTJJENWYIZ-UHFFFAOYSA-N 1 2 236.315 1.561 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C=CCC1 ZINC000914286151 641631978 /nfs/dbraw/zinc/63/19/78/641631978.db2.gz WDMMPZYXSJQUBY-JTQLQIEISA-N 1 2 219.288 1.343 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C=CCC1 ZINC000914287957 641633173 /nfs/dbraw/zinc/63/31/73/641633173.db2.gz UNQOLBHDFIWYBK-VIFPVBQESA-N 1 2 205.261 1.035 20 0 BDADLO CC1(C)C[C@]1(C)CNC(=O)Cn1cc[nH+]c1 ZINC000914380531 641655800 /nfs/dbraw/zinc/65/58/00/641655800.db2.gz VBHXSUGXWLMCIE-GFCCVEGCSA-N 1 2 221.304 1.436 20 0 BDADLO COC[C@H]([NH3+])c1nc(COc2ccccc2)no1 ZINC000159342197 641676521 /nfs/dbraw/zinc/67/65/21/641676521.db2.gz ZUOCGYJRQIACEX-JTQLQIEISA-N 1 2 249.270 1.295 20 0 BDADLO CC[NH+]1CC(NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001031075396 641681782 /nfs/dbraw/zinc/68/17/82/641681782.db2.gz IDWFUEGZWYHKBD-UHFFFAOYSA-N 1 2 249.314 1.294 20 0 BDADLO C[C@H]1[C@@H](NC(=O)C(C)(C)F)CCC[N@@H+]1CCF ZINC000992975076 641690315 /nfs/dbraw/zinc/69/03/15/641690315.db2.gz YDNIVPAQQCTSBH-UWVGGRQHSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@H]1[C@@H](NC(=O)C(C)(C)F)CCC[N@H+]1CCF ZINC000992975076 641690316 /nfs/dbraw/zinc/69/03/16/641690316.db2.gz YDNIVPAQQCTSBH-UWVGGRQHSA-N 1 2 248.317 1.673 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccc(OC)o2)C1 ZINC001031138001 641727886 /nfs/dbraw/zinc/72/78/86/641727886.db2.gz BJXLTEQPVOMWDF-UHFFFAOYSA-N 1 2 238.287 1.112 20 0 BDADLO CC(C)C[NH+]1CC(NC(=O)c2nccs2)C1 ZINC001031139819 641731708 /nfs/dbraw/zinc/73/17/08/641731708.db2.gz POXQNSYIWRKCIS-UHFFFAOYSA-N 1 2 239.344 1.213 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(-c3ccco3)no2)O1 ZINC000924003035 641734032 /nfs/dbraw/zinc/73/40/32/641734032.db2.gz IJLBOVVSUZKKNF-WCBMZHEXSA-N 1 2 249.270 1.721 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(-c3ccco3)no2)O1 ZINC000924003035 641734033 /nfs/dbraw/zinc/73/40/33/641734033.db2.gz IJLBOVVSUZKKNF-WCBMZHEXSA-N 1 2 249.270 1.721 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031179588 641778830 /nfs/dbraw/zinc/77/88/30/641778830.db2.gz GUWMHYPTQREGCT-DGCLKSJQSA-N 1 2 242.338 1.583 20 0 BDADLO CO[C@H]1C[N@H+](CC(=O)OCC(C)C)CC[C@@H]1C ZINC000189356671 641804433 /nfs/dbraw/zinc/80/44/33/641804433.db2.gz BJUWOIFVWIFLIU-RYUDHWBXSA-N 1 2 243.347 1.542 20 0 BDADLO CO[C@H]1C[N@@H+](CC(=O)OCC(C)C)CC[C@@H]1C ZINC000189356671 641804435 /nfs/dbraw/zinc/80/44/35/641804435.db2.gz BJUWOIFVWIFLIU-RYUDHWBXSA-N 1 2 243.347 1.542 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001031213414 641821371 /nfs/dbraw/zinc/82/13/71/641821371.db2.gz YSRFFJDCUSCYJK-UHFFFAOYSA-N 1 2 247.342 1.327 20 0 BDADLO CC[C@H]1C[C@H](C(=O)NC2C[NH+](CC)C2)CCO1 ZINC001031216688 641824130 /nfs/dbraw/zinc/82/41/30/641824130.db2.gz XWCUVINQLZENHB-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CCN(C(=O)c1cccs1)C1C[NH+](CC)C1 ZINC000949600866 641845691 /nfs/dbraw/zinc/84/56/91/641845691.db2.gz AQSMYHSTRYCLMC-UHFFFAOYSA-N 1 2 238.356 1.914 20 0 BDADLO CCN(C[C@@H]1CCCO1)c1cc(NC)[nH+]cn1 ZINC000130399014 641847965 /nfs/dbraw/zinc/84/79/65/641847965.db2.gz OUFUAVJQMIXIEG-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCN(C[C@@H]1CCCO1)c1cc(NC)nc[nH+]1 ZINC000130399014 641847968 /nfs/dbraw/zinc/84/79/68/641847968.db2.gz OUFUAVJQMIXIEG-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCN(C(=O)c1ccccc1O)C1C[NH+](CC)C1 ZINC000949684428 641854714 /nfs/dbraw/zinc/85/47/14/641854714.db2.gz KKZOQMWYWMTXSM-UHFFFAOYSA-N 1 2 248.326 1.558 20 0 BDADLO CCC(=O)CC[N@H+](CCS(C)(=O)=O)C(C)C ZINC000190309335 641857743 /nfs/dbraw/zinc/85/77/43/641857743.db2.gz UULONRDZTMUYPA-UHFFFAOYSA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CC[N@@H+](CCS(C)(=O)=O)C(C)C ZINC000190309335 641857748 /nfs/dbraw/zinc/85/77/48/641857748.db2.gz UULONRDZTMUYPA-UHFFFAOYSA-N 1 2 249.376 1.111 20 0 BDADLO CCCc1occc1C(=O)NC1C[NH+](CC)C1 ZINC001031255241 641865087 /nfs/dbraw/zinc/86/50/87/641865087.db2.gz BBMVSYCJBAMJIK-UHFFFAOYSA-N 1 2 236.315 1.666 20 0 BDADLO CC[NH+]1CC(NC(=O)c2occ3c2CCCC3)C1 ZINC001031311249 641899819 /nfs/dbraw/zinc/89/98/19/641899819.db2.gz OEWCMVHJYRQGSJ-UHFFFAOYSA-N 1 2 248.326 1.592 20 0 BDADLO CN1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000078500544 641931622 /nfs/dbraw/zinc/93/16/22/641931622.db2.gz QTGIQIGPDSUAMR-UHFFFAOYSA-N 1 2 241.338 1.982 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]c1)c1nnnn1C1CC1 ZINC000191828829 641945378 /nfs/dbraw/zinc/94/53/78/641945378.db2.gz IPKYKKUTXMEGCE-QMMMGPOBSA-N 1 2 232.291 1.187 20 0 BDADLO CC(C)N1C[C@H]([NH2+][C@H](C)c2ncco2)CC1=O ZINC000925452052 642197090 /nfs/dbraw/zinc/19/70/90/642197090.db2.gz GKNXYRVNLDDBBJ-NXEZZACHSA-N 1 2 237.303 1.335 20 0 BDADLO CC(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031505319 642238279 /nfs/dbraw/zinc/23/82/79/642238279.db2.gz NEOHCPHXAWPECI-UHFFFAOYSA-N 1 2 249.314 1.120 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)c1ccccc1 ZINC001031519431 642257260 /nfs/dbraw/zinc/25/72/60/642257260.db2.gz BNIAFUSRLLPFBQ-UHFFFAOYSA-N 1 2 236.290 1.318 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2CC2CC2)o1 ZINC000933216716 642394029 /nfs/dbraw/zinc/39/40/29/642394029.db2.gz YQVYMKRFLHGRBU-GFCCVEGCSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2CC2CC2)o1 ZINC000933216716 642394035 /nfs/dbraw/zinc/39/40/35/642394035.db2.gz YQVYMKRFLHGRBU-GFCCVEGCSA-N 1 2 236.315 1.984 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031620557 642396631 /nfs/dbraw/zinc/39/66/31/642396631.db2.gz MILVPXFBYZMJQG-JTQLQIEISA-N 1 2 228.311 1.050 20 0 BDADLO CCC[N@H+](C/C=C\Cl)CC(=O)NC ZINC000255492603 642444496 /nfs/dbraw/zinc/44/44/96/642444496.db2.gz MFMFGHUGOCXAAM-PLNGDYQASA-N 1 2 204.701 1.197 20 0 BDADLO CCC[N@@H+](C/C=C\Cl)CC(=O)NC ZINC000255492603 642444499 /nfs/dbraw/zinc/44/44/99/642444499.db2.gz MFMFGHUGOCXAAM-PLNGDYQASA-N 1 2 204.701 1.197 20 0 BDADLO CCC/C(C)=C\C(=O)NCCn1cc[nH+]c1 ZINC000920218018 642457168 /nfs/dbraw/zinc/45/71/68/642457168.db2.gz OGZTXJTVRXLFHC-LUAWRHEFSA-N 1 2 221.304 1.746 20 0 BDADLO CCc1cc(N[C@@H](CC)CO)nc(CC)[nH+]1 ZINC000891413205 642491452 /nfs/dbraw/zinc/49/14/52/642491452.db2.gz MBHRVRGVKUPTHI-JTQLQIEISA-N 1 2 223.320 1.784 20 0 BDADLO CCCOC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921433140 642624380 /nfs/dbraw/zinc/62/43/80/642624380.db2.gz IXNAAGHAGSGPLL-LLVKDONJSA-N 1 2 244.335 1.233 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001009838964 642844090 /nfs/dbraw/zinc/84/40/90/642844090.db2.gz DSMBRRDKHSKFNO-LVCFMKKZSA-N 1 2 248.729 1.678 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001009838964 642844092 /nfs/dbraw/zinc/84/40/92/642844092.db2.gz DSMBRRDKHSKFNO-LVCFMKKZSA-N 1 2 248.729 1.678 20 0 BDADLO C[C@@H](C(=O)O[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000181636576 642891358 /nfs/dbraw/zinc/89/13/58/642891358.db2.gz IMZYCVCBBKMHIV-WDEREUQCSA-N 1 2 241.331 1.296 20 0 BDADLO CCC[C@@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181631179 642891946 /nfs/dbraw/zinc/89/19/46/642891946.db2.gz XRVZZUUNOMDBEU-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015542862 642906009 /nfs/dbraw/zinc/90/60/09/642906009.db2.gz SRTHFVUEJZMOMO-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015542862 642906023 /nfs/dbraw/zinc/90/60/23/642906023.db2.gz SRTHFVUEJZMOMO-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO C[C@H](CC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000063663065 643097442 /nfs/dbraw/zinc/09/74/42/643097442.db2.gz FHTGCAXNLHKEQR-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO CCC/C=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000063824566 643104888 /nfs/dbraw/zinc/10/48/88/643104888.db2.gz WNGXTLLNFGYKRI-QRGHLMKCSA-N 1 2 221.304 1.744 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCO[C@H](C)CC2)o1 ZINC000932345766 643155896 /nfs/dbraw/zinc/15/58/96/643155896.db2.gz PSACOQGNQYMBQE-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCO[C@H](C)CC2)o1 ZINC000932345766 643155906 /nfs/dbraw/zinc/15/59/06/643155906.db2.gz PSACOQGNQYMBQE-BDAKNGLRSA-N 1 2 225.292 1.550 20 0 BDADLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC2(CC2)C1 ZINC000184862229 643244973 /nfs/dbraw/zinc/24/49/73/643244973.db2.gz YFYLCXGDXMLGAZ-UHFFFAOYSA-N 1 2 236.275 1.625 20 0 BDADLO O=[N+]([O-])c1ccnn1C[N@H+]1CCCC2(CC2)C1 ZINC000184862229 643244979 /nfs/dbraw/zinc/24/49/79/643244979.db2.gz YFYLCXGDXMLGAZ-UHFFFAOYSA-N 1 2 236.275 1.625 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032091238 643248500 /nfs/dbraw/zinc/24/85/00/643248500.db2.gz LHMKDNJYZZLSDJ-DGCLKSJQSA-N 1 2 242.338 1.440 20 0 BDADLO Cn1cc(CCO[NH+]=C(N)c2ccccc2)cn1 ZINC000077238338 643265888 /nfs/dbraw/zinc/26/58/88/643265888.db2.gz ORIJYWYMLPFZCI-UHFFFAOYSA-N 1 2 244.298 1.300 20 0 BDADLO CC[C@H](CO)[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600480 643374852 /nfs/dbraw/zinc/37/48/52/643374852.db2.gz AABSMXNNQXPMAX-LLVKDONJSA-N 1 2 235.331 1.347 20 0 BDADLO CC[C@H](CO)[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600480 643374856 /nfs/dbraw/zinc/37/48/56/643374856.db2.gz AABSMXNNQXPMAX-LLVKDONJSA-N 1 2 235.331 1.347 20 0 BDADLO CCOC(=O)[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000082647221 643519514 /nfs/dbraw/zinc/51/95/14/643519514.db2.gz UIOWIPSIQAJEJO-VIFPVBQESA-N 1 2 227.304 1.239 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000255203873 643641223 /nfs/dbraw/zinc/64/12/23/643641223.db2.gz GOKNREQMYDODNY-ADAMHKFESA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000255203873 643641228 /nfs/dbraw/zinc/64/12/28/643641228.db2.gz GOKNREQMYDODNY-ADAMHKFESA-N 1 2 231.723 1.619 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)c(C)nn1 ZINC000929252164 643809648 /nfs/dbraw/zinc/80/96/48/643809648.db2.gz KZWBQXZVBLQUHO-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)c(C)nn1 ZINC000929252164 643809652 /nfs/dbraw/zinc/80/96/52/643809652.db2.gz KZWBQXZVBLQUHO-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@]12CCCO2 ZINC000922301269 643961326 /nfs/dbraw/zinc/96/13/26/643961326.db2.gz AHHTZIIGODMQFH-AAEUAGOBSA-N 1 2 249.314 1.101 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@]12CCCO2 ZINC000922312501 643967093 /nfs/dbraw/zinc/96/70/93/643967093.db2.gz ZXNWQQMFIKQYDT-WCQYABFASA-N 1 2 249.314 1.170 20 0 BDADLO CC[C@@H](OC)C(=O)OCc1ccc[nH+]c1N ZINC000922395900 643985727 /nfs/dbraw/zinc/98/57/27/643985727.db2.gz DVGLEZOXDOKKMS-SECBINFHSA-N 1 2 224.260 1.132 20 0 BDADLO CC[C@H](OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922396983 643987738 /nfs/dbraw/zinc/98/77/38/643987738.db2.gz OQMFOGVKAJSBGY-VIFPVBQESA-N 1 2 224.260 1.132 20 0 BDADLO CSC[C@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922430780 643993960 /nfs/dbraw/zinc/99/39/60/643993960.db2.gz UEPPXEPTKHYZRH-QMMMGPOBSA-N 1 2 240.328 1.706 20 0 BDADLO CCCCOCC(=O)OCc1ccc[nH+]c1N ZINC000922469874 643996685 /nfs/dbraw/zinc/99/66/85/643996685.db2.gz QJXRYIFQGJIFBA-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO CCc1ccc(NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC000922478698 644000866 /nfs/dbraw/zinc/00/08/66/644000866.db2.gz BTHIGLYYWOXNFA-UHFFFAOYSA-N 1 2 230.271 1.548 20 0 BDADLO Nc1ccc(COC(=O)C2CCC(=O)CC2)c[nH+]1 ZINC000922510927 644009188 /nfs/dbraw/zinc/00/91/88/644009188.db2.gz HTTYGSMQOWQZRN-UHFFFAOYSA-N 1 2 248.282 1.466 20 0 BDADLO CC(C)c1c[nH]c(CNC[C@H]2CC[N@@H+]2C)n1 ZINC000922575337 644029588 /nfs/dbraw/zinc/02/95/88/644029588.db2.gz XGBHGMCPEJJOEI-SNVBAGLBSA-N 1 2 222.336 1.327 20 0 BDADLO CC(C)c1c[nH]c(CNC[C@H]2CC[N@H+]2C)n1 ZINC000922575337 644029591 /nfs/dbraw/zinc/02/95/91/644029591.db2.gz XGBHGMCPEJJOEI-SNVBAGLBSA-N 1 2 222.336 1.327 20 0 BDADLO Cn1ncc(C[NH2+][C@@H](c2ccccn2)C2CC2)n1 ZINC000922584460 644037953 /nfs/dbraw/zinc/03/79/53/644037953.db2.gz KZTYFIGPDGIJKL-CYBMUJFWSA-N 1 2 243.314 1.451 20 0 BDADLO COC1(C(=O)OCc2ccc[nH+]c2N)CCC1 ZINC000922598017 644040940 /nfs/dbraw/zinc/04/09/40/644040940.db2.gz AORQZVMCEZMAGJ-UHFFFAOYSA-N 1 2 236.271 1.276 20 0 BDADLO CCn1ncnc1C[NH2+]C(C)(C)/C=C\Cl ZINC000922644931 644050871 /nfs/dbraw/zinc/05/08/71/644050871.db2.gz LXNSNAQCXBBDAG-WAYWQWQTSA-N 1 2 228.727 1.919 20 0 BDADLO CC[C@@](C)(OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922699642 644070018 /nfs/dbraw/zinc/07/00/18/644070018.db2.gz YQPSWOSXFRIPRY-GFCCVEGCSA-N 1 2 238.287 1.522 20 0 BDADLO CC[C@@](C)(OC)C(=O)OCc1ccc[nH+]c1N ZINC000922697470 644070473 /nfs/dbraw/zinc/07/04/73/644070473.db2.gz OBQFTKJKGLEOJK-GFCCVEGCSA-N 1 2 238.287 1.522 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C\[C@@H]1CCOC1 ZINC000922777612 644092118 /nfs/dbraw/zinc/09/21/18/644092118.db2.gz WQXRRKFDQRLZIT-UMBAGQNISA-N 1 2 248.282 1.300 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1CC1(F)F ZINC000922777236 644092281 /nfs/dbraw/zinc/09/22/81/644092281.db2.gz ZOOPDBHGPCKNHS-SSDOTTSWSA-N 1 2 228.198 1.362 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C\[C@H]1CCCO1 ZINC000922816359 644107164 /nfs/dbraw/zinc/10/71/64/644107164.db2.gz OMOXQXHNWPZWQH-ISALQUGTSA-N 1 2 248.282 1.442 20 0 BDADLO COC/C(C)=C\C(=O)OCc1ccc[nH+]c1N ZINC000922835909 644113724 /nfs/dbraw/zinc/11/37/24/644113724.db2.gz ISLBXMMIBYSAOT-TWGQIWQCSA-N 1 2 236.271 1.300 20 0 BDADLO COC/C(C)=C/C(=O)OCc1ccc(N)[nH+]c1 ZINC000922837106 644114054 /nfs/dbraw/zinc/11/40/54/644114054.db2.gz QTIHLCOTLZAKLT-WEVVVXLNSA-N 1 2 236.271 1.300 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923032722 644239639 /nfs/dbraw/zinc/23/96/39/644239639.db2.gz JYKJLZHIMOYFHH-WCQYABFASA-N 1 2 233.315 1.519 20 0 BDADLO CC(C)(C)NC(=O)c1cccc2[nH+]ccn21 ZINC000082317212 644368827 /nfs/dbraw/zinc/36/88/27/644368827.db2.gz USBKSOSCWXLMKQ-UHFFFAOYSA-N 1 2 217.272 1.863 20 0 BDADLO CC[C@H](CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494200 644441812 /nfs/dbraw/zinc/44/18/12/644441812.db2.gz METZOKYPRXQIMF-DTWKUNHWSA-N 1 2 217.309 1.077 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000087620170 644500787 /nfs/dbraw/zinc/50/07/87/644500787.db2.gz JGSLLAYMGDKULH-WCBMZHEXSA-N 1 2 217.334 1.423 20 0 BDADLO CCc1cc(N2CC(O)(C(C)C)C2)nc(C)[nH+]1 ZINC000089667014 644560201 /nfs/dbraw/zinc/56/02/01/644560201.db2.gz HKDIIJDBEICXMD-UHFFFAOYSA-N 1 2 235.331 1.555 20 0 BDADLO Cc1cc(C(N)=O)ccc1NCc1c[nH+]cn1C ZINC000090165733 644583576 /nfs/dbraw/zinc/58/35/76/644583576.db2.gz YUGADGJOWSWXQC-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017278639 644607364 /nfs/dbraw/zinc/60/73/64/644607364.db2.gz BNLKBJYLUDBKMB-SDDRHHMPSA-N 1 2 228.311 1.430 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017278639 644607366 /nfs/dbraw/zinc/60/73/66/644607366.db2.gz BNLKBJYLUDBKMB-SDDRHHMPSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](CCO)C2CC2)no1 ZINC000763062464 644654991 /nfs/dbraw/zinc/65/49/91/644654991.db2.gz FAHGZMUPQZZNRT-JTQLQIEISA-N 1 2 239.319 1.444 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000956939416 644669310 /nfs/dbraw/zinc/66/93/10/644669310.db2.gz PBZMDCPBFVKUGJ-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000248943996 644705053 /nfs/dbraw/zinc/70/50/53/644705053.db2.gz AGIAFLFVGSZEFI-UWVGGRQHSA-N 1 2 249.376 1.109 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000248943996 644705057 /nfs/dbraw/zinc/70/50/57/644705057.db2.gz AGIAFLFVGSZEFI-UWVGGRQHSA-N 1 2 249.376 1.109 20 0 BDADLO CC[C@@H](CCO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000094954268 644735210 /nfs/dbraw/zinc/73/52/10/644735210.db2.gz BZLCVAYVTPRHAZ-QWRGUYRKSA-N 1 2 245.363 1.715 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)OCCCn1cc[nH+]c1 ZINC000784850628 644764757 /nfs/dbraw/zinc/76/47/57/644764757.db2.gz QARCUKPQCYJLEH-SNAWJCMRSA-N 1 2 245.282 1.858 20 0 BDADLO CC(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000957992543 644767037 /nfs/dbraw/zinc/76/70/37/644767037.db2.gz QNNCRLUGPNRMBW-PHLWQMAUSA-N 1 2 249.141 1.372 20 0 BDADLO CC(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000957992543 644767043 /nfs/dbraw/zinc/76/70/43/644767043.db2.gz QNNCRLUGPNRMBW-PHLWQMAUSA-N 1 2 249.141 1.372 20 0 BDADLO Cc1cc(CNC(=O)c2cnsn2)cc(C)[nH+]1 ZINC000817459032 644983513 /nfs/dbraw/zinc/98/35/13/644983513.db2.gz PJRYDENVOIGKQD-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO C/C=C\C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817456819 644983837 /nfs/dbraw/zinc/98/38/37/644983837.db2.gz KLIPKIMBBTXGLO-PLNGDYQASA-N 1 2 204.273 1.891 20 0 BDADLO C[N@H+](C[C@](C)(O)c1ccccc1)[C@H]1CCOC1=O ZINC000823593226 645046745 /nfs/dbraw/zinc/04/67/45/645046745.db2.gz YRZCMHAHJNUZFO-JSGCOSHPSA-N 1 2 249.310 1.141 20 0 BDADLO C[N@@H+](C[C@](C)(O)c1ccccc1)[C@H]1CCOC1=O ZINC000823593226 645046752 /nfs/dbraw/zinc/04/67/52/645046752.db2.gz YRZCMHAHJNUZFO-JSGCOSHPSA-N 1 2 249.310 1.141 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ncco1 ZINC000926547373 645269268 /nfs/dbraw/zinc/26/92/68/645269268.db2.gz DDODWCBPEPWDQQ-OPRDCNLKSA-N 1 2 226.276 1.129 20 0 BDADLO CCn1ccc(C[NH2+][C@H]2CCC2(OC)OC)n1 ZINC000926578494 645296980 /nfs/dbraw/zinc/29/69/80/645296980.db2.gz PLKNEFYJGJKOLY-NSHDSACASA-N 1 2 239.319 1.144 20 0 BDADLO C[C@@H](CC(=O)Oc1cnn(C)c1)n1cc[nH+]c1 ZINC000844443051 645333393 /nfs/dbraw/zinc/33/33/93/645333393.db2.gz HXWRXARMYVSEON-VIFPVBQESA-N 1 2 234.259 1.173 20 0 BDADLO CCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845447400 645362246 /nfs/dbraw/zinc/36/22/46/645362246.db2.gz OKWXWXNUYVYYAT-UHFFFAOYSA-N 1 2 222.288 1.715 20 0 BDADLO Clc1ncccc1C[N@@H+]1CCn2nncc2C1 ZINC000847020143 645416523 /nfs/dbraw/zinc/41/65/23/645416523.db2.gz BNWVNXAUIKBVHT-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ncccc1C[N@H+]1CCn2nncc2C1 ZINC000847020143 645416529 /nfs/dbraw/zinc/41/65/29/645416529.db2.gz BNWVNXAUIKBVHT-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1cnn(C)n1 ZINC000926790044 645435392 /nfs/dbraw/zinc/43/53/92/645435392.db2.gz ZGFGOWYDNIDEAM-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ncco1 ZINC000926892270 645477739 /nfs/dbraw/zinc/47/77/39/645477739.db2.gz ISRKULJBEUZUTH-LPEHRKFASA-N 1 2 209.293 1.418 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@]12C[C@H]1CCCC2 ZINC000927463498 645619572 /nfs/dbraw/zinc/61/95/72/645619572.db2.gz PMLDHCPPSCKQNN-MFKMUULPSA-N 1 2 233.315 1.649 20 0 BDADLO CCCn1cc(C[NH2+]CC(C)(C)F)nn1 ZINC000865653433 645722121 /nfs/dbraw/zinc/72/21/21/645722121.db2.gz RXNCVGFGSHCOJG-UHFFFAOYSA-N 1 2 214.288 1.526 20 0 BDADLO CCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928636828 645853506 /nfs/dbraw/zinc/85/35/06/645853506.db2.gz WHZISIXYNMJRIB-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000929108626 645947745 /nfs/dbraw/zinc/94/77/45/645947745.db2.gz DUSIIGFATVMGNW-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000929108626 645947755 /nfs/dbraw/zinc/94/77/55/645947755.db2.gz DUSIIGFATVMGNW-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000924025985 645973786 /nfs/dbraw/zinc/97/37/86/645973786.db2.gz TYWKFEFCMOBIFX-LSKIRQOJSA-N 1 2 233.315 1.361 20 0 BDADLO CC1(C(=O)NCCCn2cc[nH+]c2)CC=CC1 ZINC000929156130 645977792 /nfs/dbraw/zinc/97/77/92/645977792.db2.gz HMOSNZNIUGTOGS-UHFFFAOYSA-N 1 2 233.315 1.746 20 0 BDADLO COC[C@H](C)Cc1noc([C@@H](C)[NH+](C)C)n1 ZINC000924110495 645983184 /nfs/dbraw/zinc/98/31/84/645983184.db2.gz KUXHARKIQDZMIG-RKDXNWHRSA-N 1 2 227.308 1.517 20 0 BDADLO CC(C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929193105 645996872 /nfs/dbraw/zinc/99/68/72/645996872.db2.gz RORPMVLBMINDDK-UHFFFAOYSA-N 1 2 217.272 1.949 20 0 BDADLO COc1nnc(C[N@H+](C)C2CCCC2)s1 ZINC000929191560 645997307 /nfs/dbraw/zinc/99/73/07/645997307.db2.gz NCGAZSSCVUPYOE-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO COc1nnc(C[N@@H+](C)C2CCCC2)s1 ZINC000929191560 645997315 /nfs/dbraw/zinc/99/73/15/645997315.db2.gz NCGAZSSCVUPYOE-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO COC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929223708 646021307 /nfs/dbraw/zinc/02/13/07/646021307.db2.gz BLTMZVKNQWCCLD-MRVPVSSYSA-N 1 2 233.271 1.328 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000929250944 646033374 /nfs/dbraw/zinc/03/33/74/646033374.db2.gz CZCPQTOEAHEVHR-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000929250944 646033381 /nfs/dbraw/zinc/03/33/81/646033381.db2.gz CZCPQTOEAHEVHR-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000929256606 646041392 /nfs/dbraw/zinc/04/13/92/646041392.db2.gz DWPQQAGNHRCKSE-UTUOFQBUSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000929256606 646041395 /nfs/dbraw/zinc/04/13/95/646041395.db2.gz DWPQQAGNHRCKSE-UTUOFQBUSA-N 1 2 243.347 1.685 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)C1 ZINC000924607161 646077084 /nfs/dbraw/zinc/07/70/84/646077084.db2.gz ISMGZKNPDMKJSC-SCZZXKLOSA-N 1 2 221.304 1.565 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCOCC1(C)C ZINC000929346534 646091061 /nfs/dbraw/zinc/09/10/61/646091061.db2.gz AMGZEEVCCMZHED-JXMROGBWSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCOCC1(C)C ZINC000929346534 646091067 /nfs/dbraw/zinc/09/10/67/646091067.db2.gz AMGZEEVCCMZHED-JXMROGBWSA-N 1 2 227.304 1.217 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CCS[C@H](C)C1 ZINC000929518634 646167100 /nfs/dbraw/zinc/16/71/00/646167100.db2.gz QFTXCTGYHVCYGM-NXEZZACHSA-N 1 2 223.345 1.975 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CCS[C@H](C)C1 ZINC000929518634 646167104 /nfs/dbraw/zinc/16/71/04/646167104.db2.gz QFTXCTGYHVCYGM-NXEZZACHSA-N 1 2 223.345 1.975 20 0 BDADLO CC(C)(C)C[N@H+](CCCO)Cc1nncs1 ZINC000929593114 646187073 /nfs/dbraw/zinc/18/70/73/646187073.db2.gz LBSPJBDOEJTQIY-UHFFFAOYSA-N 1 2 243.376 1.769 20 0 BDADLO CC(C)(C)C[N@@H+](CCCO)Cc1nncs1 ZINC000929593114 646187078 /nfs/dbraw/zinc/18/70/78/646187078.db2.gz LBSPJBDOEJTQIY-UHFFFAOYSA-N 1 2 243.376 1.769 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOC1CC1 ZINC000929678689 646237291 /nfs/dbraw/zinc/23/72/91/646237291.db2.gz FECMTHLYINCMKH-FTGAXOIBSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOC1CC1 ZINC000929678689 646237299 /nfs/dbraw/zinc/23/72/99/646237299.db2.gz FECMTHLYINCMKH-FTGAXOIBSA-N 1 2 231.361 1.007 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000929787926 646319159 /nfs/dbraw/zinc/31/91/59/646319159.db2.gz KHJRGUPUCZNYAP-LLVKDONJSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nsc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000929787926 646319165 /nfs/dbraw/zinc/31/91/65/646319165.db2.gz KHJRGUPUCZNYAP-LLVKDONJSA-N 1 2 241.360 1.618 20 0 BDADLO COC(=O)CN(Cc1cc(C)cc(C)[nH+]1)C1CC1 ZINC000929809070 646329753 /nfs/dbraw/zinc/32/97/53/646329753.db2.gz XOXAPOPQVVBYHV-UHFFFAOYSA-N 1 2 248.326 1.836 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)c(C)nn1 ZINC000929842846 646354079 /nfs/dbraw/zinc/35/40/79/646354079.db2.gz DMQQSLBNUZCABT-VXGBXAGGSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c(C)nn1 ZINC000929842846 646354085 /nfs/dbraw/zinc/35/40/85/646354085.db2.gz DMQQSLBNUZCABT-VXGBXAGGSA-N 1 2 235.331 1.703 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000929846183 646358558 /nfs/dbraw/zinc/35/85/58/646358558.db2.gz HRIALSRJZJWXOG-MNOVXSKESA-N 1 2 241.310 1.462 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnn(CCF)c1 ZINC000929846183 646358565 /nfs/dbraw/zinc/35/85/65/646358565.db2.gz HRIALSRJZJWXOG-MNOVXSKESA-N 1 2 241.310 1.462 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000930086869 646429413 /nfs/dbraw/zinc/42/94/13/646429413.db2.gz OOGFJXBWKBLPNR-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000930086869 646429417 /nfs/dbraw/zinc/42/94/17/646429417.db2.gz OOGFJXBWKBLPNR-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125651 646446436 /nfs/dbraw/zinc/44/64/36/646446436.db2.gz NWKQZBOLCPPHER-ONGXEEELSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125651 646446443 /nfs/dbraw/zinc/44/64/43/646446443.db2.gz NWKQZBOLCPPHER-ONGXEEELSA-N 1 2 238.331 1.927 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(C)nn1 ZINC000930130585 646451997 /nfs/dbraw/zinc/45/19/97/646451997.db2.gz PXBKGZCVUCECRF-CQSZACIVSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)c(C)nn1 ZINC000930130585 646451999 /nfs/dbraw/zinc/45/19/99/646451999.db2.gz PXBKGZCVUCECRF-CQSZACIVSA-N 1 2 247.342 1.704 20 0 BDADLO COCCOCCOCC[N@@H+]1CCC=C(F)C1 ZINC000930175225 646478130 /nfs/dbraw/zinc/47/81/30/646478130.db2.gz SUBLJQOEAMQUCR-UHFFFAOYSA-N 1 2 247.310 1.225 20 0 BDADLO COCCOCCOCC[N@H+]1CCC=C(F)C1 ZINC000930175225 646478134 /nfs/dbraw/zinc/47/81/34/646478134.db2.gz SUBLJQOEAMQUCR-UHFFFAOYSA-N 1 2 247.310 1.225 20 0 BDADLO C[C@@H]([NH2+][C@H]1CNOC1)c1nc2ccccc2n1C ZINC000925871001 646521788 /nfs/dbraw/zinc/52/17/88/646521788.db2.gz JXDBBYZXSSYOOP-ZJUUUORDSA-N 1 2 246.314 1.127 20 0 BDADLO CC[N@H+]1C[C@H](N[C@@H]2CCC2(OC)OC)[C@@H](C)C1 ZINC000925929031 646544253 /nfs/dbraw/zinc/54/42/53/646544253.db2.gz IHGUGABYOIOLFM-SDDRHHMPSA-N 1 2 242.363 1.068 20 0 BDADLO CC[N@@H+]1C[C@H](N[C@@H]2CCC2(OC)OC)[C@@H](C)C1 ZINC000925929031 646544258 /nfs/dbraw/zinc/54/42/58/646544258.db2.gz IHGUGABYOIOLFM-SDDRHHMPSA-N 1 2 242.363 1.068 20 0 BDADLO COC[C@H]([NH2+][C@H](C)c1ncco1)[C@H]1CCCO1 ZINC000926319997 646615538 /nfs/dbraw/zinc/61/55/38/646615538.db2.gz JNJPDSIGVOJVPD-OUAUKWLOSA-N 1 2 240.303 1.519 20 0 BDADLO FC(F)C1([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000926364235 646626928 /nfs/dbraw/zinc/62/69/28/646626928.db2.gz DUGMZRWVEAUIRF-IUCAKERBSA-N 1 2 217.259 1.941 20 0 BDADLO OCC[C@@H]([NH2+]Cc1nnsc1Cl)C1CC1 ZINC000308899111 711574188 /nfs/dbraw/zinc/57/41/88/711574188.db2.gz CRYGTPALPFQCBT-SSDOTTSWSA-N 1 2 247.751 1.442 20 0 BDADLO Cc1ccsc1CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724739425 711609943 /nfs/dbraw/zinc/60/99/43/711609943.db2.gz NBSRWFUHRJLULL-ZETCQYMHSA-N 1 2 248.298 1.655 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724749894 711610824 /nfs/dbraw/zinc/61/08/24/711610824.db2.gz BFNMYFUUKSABCI-HRDYMLBCSA-N 1 2 234.290 1.473 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC000725022750 711643697 /nfs/dbraw/zinc/64/36/97/711643697.db2.gz COAMXWBJTAETGJ-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO COC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722390013 711753132 /nfs/dbraw/zinc/75/31/32/711753132.db2.gz GAGANNJMRBPMJR-UHFFFAOYSA-N 1 2 229.305 1.061 20 0 BDADLO CC(C)c1nnc(C[NH2+]C2CSC2)s1 ZINC000389314075 711765270 /nfs/dbraw/zinc/76/52/70/711765270.db2.gz PPHHLRMWYNLAJO-UHFFFAOYSA-N 1 2 229.374 1.867 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000307157845 711773686 /nfs/dbraw/zinc/77/36/86/711773686.db2.gz RDNXXUXFDNWRSM-HTRCEHHLSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1O ZINC000307157845 711773688 /nfs/dbraw/zinc/77/36/88/711773688.db2.gz RDNXXUXFDNWRSM-HTRCEHHLSA-N 1 2 232.736 1.609 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CCSC1 ZINC000913422570 711822126 /nfs/dbraw/zinc/82/21/26/711822126.db2.gz XZWDGTAASZTJKZ-VIFPVBQESA-N 1 2 239.344 1.212 20 0 BDADLO CC[C@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030422708 711832844 /nfs/dbraw/zinc/83/28/44/711832844.db2.gz GFAFKWHXYMJFAE-NWDGAFQWSA-N 1 2 240.347 1.012 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)C2(C)C)s1 ZINC000702683681 711871165 /nfs/dbraw/zinc/87/11/65/711871165.db2.gz CRYDGDXHDJXMLO-MRVPVSSYSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](O)C2(C)C)s1 ZINC000702683681 711871167 /nfs/dbraw/zinc/87/11/67/711871167.db2.gz CRYDGDXHDJXMLO-MRVPVSSYSA-N 1 2 241.360 1.446 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC000704968443 711897599 /nfs/dbraw/zinc/89/75/99/711897599.db2.gz ZSWUHTVBUVBNML-RKDXNWHRSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC000704968443 711897601 /nfs/dbraw/zinc/89/76/01/711897601.db2.gz ZSWUHTVBUVBNML-RKDXNWHRSA-N 1 2 239.237 1.020 20 0 BDADLO Nc1ccc(CNC(=O)C2(C(F)F)CC2)c[nH+]1 ZINC000700007194 711982997 /nfs/dbraw/zinc/98/29/97/711982997.db2.gz RLESCSASXXMTTJ-UHFFFAOYSA-N 1 2 241.241 1.325 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1Cl ZINC000706176074 712141618 /nfs/dbraw/zinc/14/16/18/712141618.db2.gz YTKJPDPQKIIYLQ-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@@](C)(O)C2)cc1Cl ZINC000706176074 712141619 /nfs/dbraw/zinc/14/16/19/712141619.db2.gz YTKJPDPQKIIYLQ-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cc1conc1C[NH2+][C@H](C)c1ccnn1C ZINC000708234222 712183744 /nfs/dbraw/zinc/18/37/44/712183744.db2.gz IYLGQJPDDMFPEK-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)C(=O)OC ZINC000708334017 712188402 /nfs/dbraw/zinc/18/84/02/712188402.db2.gz QNCPPFXGOPKIOC-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cccc(F)n1 ZINC000378853097 712366285 /nfs/dbraw/zinc/36/62/85/712366285.db2.gz HPJSTGLQFHUFFN-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cc1cc(C[NH2+]Cc2[nH]nc(C)c2C)on1 ZINC000716448548 712561423 /nfs/dbraw/zinc/56/14/23/712561423.db2.gz WGHNEOJYHPMYSZ-UHFFFAOYSA-N 1 2 220.276 1.613 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1nc[nH+]c(N)c1OC ZINC000716879093 712580176 /nfs/dbraw/zinc/58/01/76/712580176.db2.gz QQJOOHVSDRMQFZ-SFYZADRCSA-N 1 2 240.307 1.029 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1[nH+]cnc(N)c1OC ZINC000716879093 712580177 /nfs/dbraw/zinc/58/01/77/712580177.db2.gz QQJOOHVSDRMQFZ-SFYZADRCSA-N 1 2 240.307 1.029 20 0 BDADLO CC1(C)CO[C@H](CNc2cc[nH+]cc2F)C1 ZINC000717619359 712662719 /nfs/dbraw/zinc/66/27/19/712662719.db2.gz ROIMEGMQZINNNU-VIFPVBQESA-N 1 2 224.279 1.870 20 0 BDADLO CNc1cc(N2CCS[C@H](C)CC2)nc[nH+]1 ZINC000380357055 712897472 /nfs/dbraw/zinc/89/74/72/712897472.db2.gz XGQZLPOPIBQEGT-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO CNc1cc(N2CCS[C@H](C)CC2)[nH+]cn1 ZINC000380357055 712897473 /nfs/dbraw/zinc/89/74/73/712897473.db2.gz XGQZLPOPIBQEGT-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC000381313424 710620011 /nfs/dbraw/zinc/62/00/11/710620011.db2.gz AVZSZSLYNJJZID-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO CO[C@@H](C[NH2+]Cc1[nH]ncc1C)C(F)(F)F ZINC000381340510 710624369 /nfs/dbraw/zinc/62/43/69/710624369.db2.gz XKHMYRLWLVBAII-QMMMGPOBSA-N 1 2 237.225 1.385 20 0 BDADLO CO[C@@H](C[NH2+]Cc1n[nH]cc1C)C(F)(F)F ZINC000381340510 710624371 /nfs/dbraw/zinc/62/43/71/710624371.db2.gz XKHMYRLWLVBAII-QMMMGPOBSA-N 1 2 237.225 1.385 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@@H](C)SC)n1 ZINC000381801751 710719969 /nfs/dbraw/zinc/71/99/69/710719969.db2.gz DNMAXFWEZYYKPJ-MRVPVSSYSA-N 1 2 229.349 1.863 20 0 BDADLO C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccccc1 ZINC000724763669 710745943 /nfs/dbraw/zinc/74/59/43/710745943.db2.gz ZWDHMCNAMJAECZ-WCBMZHEXSA-N 1 2 242.269 1.846 20 0 BDADLO CC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001053589119 710920803 /nfs/dbraw/zinc/92/08/03/710920803.db2.gz ZRZDZEAQVOAFQN-BXKDBHETSA-N 1 2 248.330 1.311 20 0 BDADLO CC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001069519241 711044740 /nfs/dbraw/zinc/04/47/40/711044740.db2.gz DGEMDYSLYLOGRU-LLVKDONJSA-N 1 2 248.330 1.454 20 0 BDADLO CCCOc1ccnc(NCc2c[nH+]cn2C)n1 ZINC000388460201 711061331 /nfs/dbraw/zinc/06/13/31/711061331.db2.gz GAWXHRKSGHBMPD-UHFFFAOYSA-N 1 2 247.302 1.611 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000389990627 711102733 /nfs/dbraw/zinc/10/27/33/711102733.db2.gz OCWAKABNZVRZRZ-UTLUCORTSA-N 1 2 231.361 1.669 20 0 BDADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]C1CC1 ZINC000389883004 711094690 /nfs/dbraw/zinc/09/46/90/711094690.db2.gz PLUVDDFJWHESJR-UHFFFAOYSA-N 1 2 205.236 1.709 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@](C)(CO)C(C)C ZINC000390419730 711116708 /nfs/dbraw/zinc/11/67/08/711116708.db2.gz JCOWKMYVWRRBRT-ZYHUDNBSSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@H](CSC(C)(C)C)[NH2+]Cc1nnn(C)n1 ZINC000390445507 711117284 /nfs/dbraw/zinc/11/72/84/711117284.db2.gz XJHGNVHGHBZKFU-MRVPVSSYSA-N 1 2 243.380 1.220 20 0 BDADLO Nc1cc(COC(=O)c2ccco2)cc[nH+]1 ZINC000393793980 711175215 /nfs/dbraw/zinc/17/52/15/711175215.db2.gz NVEYNCFUDMEUIX-UHFFFAOYSA-N 1 2 218.212 1.444 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]cn1 ZINC000397818142 711392471 /nfs/dbraw/zinc/39/24/71/711392471.db2.gz LYPRCWAAPFVKBG-AYMMMOKOSA-N 1 2 204.277 1.729 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2cnn[nH]2)s1 ZINC000398314926 711407102 /nfs/dbraw/zinc/40/71/02/711407102.db2.gz CBGQQTHOHPQQNW-UHFFFAOYSA-N 1 2 223.305 1.168 20 0 BDADLO Nc1cc(COC(=O)CCC2CC2)cc[nH+]1 ZINC000381373988 710629819 /nfs/dbraw/zinc/62/98/19/710629819.db2.gz IKKPNGLHJGGXEB-UHFFFAOYSA-N 1 2 220.272 1.728 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001038601147 710696947 /nfs/dbraw/zinc/69/69/47/710696947.db2.gz XLCAKBQJJMMTDO-GQSLZJJASA-N 1 2 242.750 1.585 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001038601147 710696951 /nfs/dbraw/zinc/69/69/51/710696951.db2.gz XLCAKBQJJMMTDO-GQSLZJJASA-N 1 2 242.750 1.585 20 0 BDADLO CC(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001067722240 710979157 /nfs/dbraw/zinc/97/91/57/710979157.db2.gz NTPIXLDKAHUUCJ-LBPRGKRZSA-N 1 2 248.330 1.232 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)[nH]1 ZINC000392412273 711146328 /nfs/dbraw/zinc/14/63/28/711146328.db2.gz CNABHNQQZGCNLQ-JGVFFNPUSA-N 1 2 234.307 1.258 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cncs2)[nH]1 ZINC000392412786 711146772 /nfs/dbraw/zinc/14/67/72/711146772.db2.gz DIBBYPMGPGLGQP-BQBZGAKWSA-N 1 2 237.332 1.981 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccnn2C)[nH]1 ZINC000392412275 711147186 /nfs/dbraw/zinc/14/71/86/711147186.db2.gz CNABHNQQZGCNLQ-SFYZADRCSA-N 1 2 234.307 1.258 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)cn1 ZINC000392475471 711147882 /nfs/dbraw/zinc/14/78/82/711147882.db2.gz SHZJGQGRICTGSK-QMMMGPOBSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000392492112 711148646 /nfs/dbraw/zinc/14/86/46/711148646.db2.gz YHKPPTSRUGXUHR-ZETCQYMHSA-N 1 2 206.249 1.557 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1cnsn1 ZINC000399792565 711434705 /nfs/dbraw/zinc/43/47/05/711434705.db2.gz LRCWIIISTWWKNS-UHFFFAOYSA-N 1 2 215.322 1.443 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@]1(C)CO ZINC000723032205 711496158 /nfs/dbraw/zinc/49/61/58/711496158.db2.gz IQXUGBITYYOWBH-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@]1(C)CO ZINC000723032205 711496162 /nfs/dbraw/zinc/49/61/62/711496162.db2.gz IQXUGBITYYOWBH-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H]1CC(=O)N(C)C1 ZINC000723368845 711508833 /nfs/dbraw/zinc/50/88/33/711508833.db2.gz OTTQXKYYEUGGRG-SNVBAGLBSA-N 1 2 249.314 1.371 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCOC[C@H]1COC ZINC000933331057 711520026 /nfs/dbraw/zinc/52/00/26/711520026.db2.gz LDHWZCXDFBXJPJ-LLVKDONJSA-N 1 2 229.320 1.093 20 0 BDADLO CCC(=O)CCC[N@H+]1CCOC[C@H]1COC ZINC000933331057 711520031 /nfs/dbraw/zinc/52/00/31/711520031.db2.gz LDHWZCXDFBXJPJ-LLVKDONJSA-N 1 2 229.320 1.093 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccccc1F)C(F)F ZINC000724692695 711609227 /nfs/dbraw/zinc/60/92/27/711609227.db2.gz LHKRFROTZAGDSU-SSDOTTSWSA-N 1 2 232.205 1.747 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721547642 711622515 /nfs/dbraw/zinc/62/25/15/711622515.db2.gz AZWGMVNEQDRCTA-VWYCJHECSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000924031315 711710520 /nfs/dbraw/zinc/71/05/20/711710520.db2.gz ODVYXRGFABFPNF-WYUUTHIRSA-N 1 2 233.315 1.291 20 0 BDADLO CNc1cc(N2CC[C@@H](C(C)(C)O)C2)nc[nH+]1 ZINC000721778320 711769423 /nfs/dbraw/zinc/76/94/23/711769423.db2.gz QGIBHPBQTVIVSH-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CC[C@@H](C(C)(C)O)C2)[nH+]cn1 ZINC000721778320 711769425 /nfs/dbraw/zinc/76/94/25/711769425.db2.gz QGIBHPBQTVIVSH-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1nc(N2CC[C@@H](C(C)(C)O)C2)cc[nH+]1 ZINC000721802378 711776863 /nfs/dbraw/zinc/77/68/63/711776863.db2.gz BRTGCYCPCNMBJL-SNVBAGLBSA-N 1 2 221.304 1.382 20 0 BDADLO CCc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)no1 ZINC000896905510 711783667 /nfs/dbraw/zinc/78/36/67/711783667.db2.gz IDEKTPAOSOKDRF-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CC[NH2+]Cc1noc(CCc2cccnc2)n1 ZINC000721344477 711801563 /nfs/dbraw/zinc/80/15/63/711801563.db2.gz MMESYMOGYILLQY-UHFFFAOYSA-N 1 2 232.287 1.359 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[C@@H]2CCCO2)c(C)c[nH+]1 ZINC000907088911 711815103 /nfs/dbraw/zinc/81/51/03/711815103.db2.gz WGVVLBSJDFAQKV-YPMHNXCESA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[C@@H]2CCCO2)c(C)c[nH+]1 ZINC000907088908 711815136 /nfs/dbraw/zinc/81/51/36/711815136.db2.gz WGVVLBSJDFAQKV-AAEUAGOBSA-N 1 2 248.326 1.874 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001030184816 711827519 /nfs/dbraw/zinc/82/75/19/711827519.db2.gz DAUZQJPVPTVBPA-GDNZZTSVSA-N 1 2 222.332 1.243 20 0 BDADLO CC[NH+]1CC(NC(=O)C(F)=C2CCCC2)C1 ZINC001030209628 711827824 /nfs/dbraw/zinc/82/78/24/711827824.db2.gz CEXSKBRMVMWLDX-UHFFFAOYSA-N 1 2 226.295 1.604 20 0 BDADLO Cc1scc(CNC(=O)Cc2c[nH]c[nH+]2)c1C ZINC000913649336 711848117 /nfs/dbraw/zinc/84/81/17/711848117.db2.gz YQGCWDGTGKMKBS-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1occc1Br ZINC000388344496 711867612 /nfs/dbraw/zinc/86/76/12/711867612.db2.gz LJKJHYLACFYAKW-SSDOTTSWSA-N 1 2 248.120 1.855 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1occc1Br ZINC000388344496 711867615 /nfs/dbraw/zinc/86/76/15/711867615.db2.gz LJKJHYLACFYAKW-SSDOTTSWSA-N 1 2 248.120 1.855 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)c1c(F)cccc1F ZINC000071947929 711901048 /nfs/dbraw/zinc/90/10/48/711901048.db2.gz KCNPPRVJFHIFOQ-SNVBAGLBSA-N 1 2 224.210 1.895 20 0 BDADLO CC(C)[N@H+](CCO)Cc1scnc1Cl ZINC000721920558 711937297 /nfs/dbraw/zinc/93/72/97/711937297.db2.gz HFNIEQGGELZBRU-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1scnc1Cl ZINC000721920558 711937299 /nfs/dbraw/zinc/93/72/99/711937299.db2.gz HFNIEQGGELZBRU-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CCO[C@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC000701693132 712028151 /nfs/dbraw/zinc/02/81/51/712028151.db2.gz QECYQYNHPJRGRB-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO CCO[C@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000701693132 712028153 /nfs/dbraw/zinc/02/81/53/712028153.db2.gz QECYQYNHPJRGRB-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO CNc1cc(NC2CCC(C)(O)CC2)[nH+]cn1 ZINC000703121815 712067006 /nfs/dbraw/zinc/06/70/06/712067006.db2.gz RXFNZEKGTJODSR-UHFFFAOYSA-N 1 2 236.319 1.624 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)nn1 ZINC000703962268 712096502 /nfs/dbraw/zinc/09/65/02/712096502.db2.gz KDVIQUNKUHPRST-NEPJUHHUSA-N 1 2 248.330 1.202 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)nn1 ZINC000703962268 712096504 /nfs/dbraw/zinc/09/65/04/712096504.db2.gz KDVIQUNKUHPRST-NEPJUHHUSA-N 1 2 248.330 1.202 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)CC(C)(C)O1 ZINC000703965191 712097192 /nfs/dbraw/zinc/09/71/92/712097192.db2.gz WGWBOHVEMNHKHX-SECBINFHSA-N 1 2 236.319 1.058 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CC(C)(C)O1 ZINC000703965191 712097194 /nfs/dbraw/zinc/09/71/94/712097194.db2.gz WGWBOHVEMNHKHX-SECBINFHSA-N 1 2 236.319 1.058 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC000704968442 712121955 /nfs/dbraw/zinc/12/19/55/712121955.db2.gz ZSWUHTVBUVBNML-IUCAKERBSA-N 1 2 239.237 1.020 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC000704968442 712121956 /nfs/dbraw/zinc/12/19/56/712121956.db2.gz ZSWUHTVBUVBNML-IUCAKERBSA-N 1 2 239.237 1.020 20 0 BDADLO COc1cc(C[NH+]2CCC(C(C)=O)CC2)on1 ZINC000705595930 712132476 /nfs/dbraw/zinc/13/24/76/712132476.db2.gz MNUYFVQXARIUHA-UHFFFAOYSA-N 1 2 238.287 1.484 20 0 BDADLO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166958 712141682 /nfs/dbraw/zinc/14/16/82/712141682.db2.gz MGSDNIKDOIHGTN-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166958 712141683 /nfs/dbraw/zinc/14/16/83/712141683.db2.gz MGSDNIKDOIHGTN-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO CO[C@H]1C[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000706512805 712148019 /nfs/dbraw/zinc/14/80/19/712148019.db2.gz YTPJWZHZKGUSOJ-OPRDCNLKSA-N 1 2 229.320 1.484 20 0 BDADLO Clc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)nn1 ZINC000706998548 712164314 /nfs/dbraw/zinc/16/43/14/712164314.db2.gz GHBJUIRMZVUFFP-APPZFPTMSA-N 1 2 209.680 1.724 20 0 BDADLO Clc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)nn1 ZINC000706998548 712164315 /nfs/dbraw/zinc/16/43/15/712164315.db2.gz GHBJUIRMZVUFFP-APPZFPTMSA-N 1 2 209.680 1.724 20 0 BDADLO Clc1cncc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000707089736 712165036 /nfs/dbraw/zinc/16/50/36/712165036.db2.gz APQSNDRTFPAPTR-UHFFFAOYSA-N 1 2 235.678 1.388 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)[C@@H]1CO ZINC000707137678 712165695 /nfs/dbraw/zinc/16/56/95/712165695.db2.gz OGSFZGUFOKXQEO-WCBMZHEXSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)[C@@H]1CO ZINC000707137678 712165702 /nfs/dbraw/zinc/16/57/02/712165702.db2.gz OGSFZGUFOKXQEO-WCBMZHEXSA-N 1 2 243.738 1.276 20 0 BDADLO COC(=O)C[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000709253191 712218521 /nfs/dbraw/zinc/21/85/21/712218521.db2.gz OUUHOVYSSNJFLT-JFGNBEQYSA-N 1 2 211.305 1.718 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710053990 712243691 /nfs/dbraw/zinc/24/36/91/712243691.db2.gz KWHQSYQSOYPICX-GXSJLCMTSA-N 1 2 245.330 1.930 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710687481 712254134 /nfs/dbraw/zinc/25/41/34/712254134.db2.gz BNYIAMXGLHIQOC-VIFPVBQESA-N 1 2 240.328 1.496 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710687481 712254136 /nfs/dbraw/zinc/25/41/36/712254136.db2.gz BNYIAMXGLHIQOC-VIFPVBQESA-N 1 2 240.328 1.496 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710687954 712254201 /nfs/dbraw/zinc/25/42/01/712254201.db2.gz FTFSKQCFYVIIKY-IUCAKERBSA-N 1 2 240.328 1.494 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710687954 712254202 /nfs/dbraw/zinc/25/42/02/712254202.db2.gz FTFSKQCFYVIIKY-IUCAKERBSA-N 1 2 240.328 1.494 20 0 BDADLO Cc1nc(NC[C@@H]2CCC3(CCC3)O2)nc(N)[nH+]1 ZINC000711455171 712304255 /nfs/dbraw/zinc/30/42/55/712304255.db2.gz XJUCIHWPEGOVLM-VIFPVBQESA-N 1 2 249.318 1.276 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC3(CCC3)O2)[nH+]1 ZINC000711455171 712304256 /nfs/dbraw/zinc/30/42/56/712304256.db2.gz XJUCIHWPEGOVLM-VIFPVBQESA-N 1 2 249.318 1.276 20 0 BDADLO C[C@H]([NH2+]CCOC1CC1)c1csnn1 ZINC000711737593 712321615 /nfs/dbraw/zinc/32/16/15/712321615.db2.gz QVTJIDMTSWVMJG-ZETCQYMHSA-N 1 2 213.306 1.368 20 0 BDADLO CC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001065790784 712356298 /nfs/dbraw/zinc/35/62/98/712356298.db2.gz ZRZDZEAQVOAFQN-JOYOIKCWSA-N 1 2 248.330 1.311 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCc3cccnc32)[nH]1 ZINC000392413037 712399460 /nfs/dbraw/zinc/39/94/60/712399460.db2.gz DSODMOAMHPGJON-LDYMZIIASA-N 1 2 243.314 1.846 20 0 BDADLO CO[C@H]1C[C@H](CNc2cc[nH+]cc2F)C1 ZINC000714626968 712488064 /nfs/dbraw/zinc/48/80/64/712488064.db2.gz HXGABLOQHOMJOD-KYZUINATSA-N 1 2 210.252 1.480 20 0 BDADLO CCn1cc(CNc2ccc([NH+](C)C)cc2)nn1 ZINC000714875026 712502550 /nfs/dbraw/zinc/50/25/50/712502550.db2.gz IBQJCNOPGIOLEI-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715407426 712517328 /nfs/dbraw/zinc/51/73/28/712517328.db2.gz DOCDDPBMFHZEDZ-GJMOJQLCSA-N 1 2 219.231 1.135 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715407426 712517329 /nfs/dbraw/zinc/51/73/29/712517329.db2.gz DOCDDPBMFHZEDZ-GJMOJQLCSA-N 1 2 219.231 1.135 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000715837564 712535124 /nfs/dbraw/zinc/53/51/24/712535124.db2.gz RHZAIFQMFCWHGX-VHSXEESVSA-N 1 2 248.334 1.823 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2cn(C)nn2)ccn1 ZINC000715875012 712537906 /nfs/dbraw/zinc/53/79/06/712537906.db2.gz CWTGHZZLOCALOR-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+]Cc2ccnn2C)nn1 ZINC000715886607 712539842 /nfs/dbraw/zinc/53/98/42/712539842.db2.gz WVRIOBZLFRVEDV-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO C[C@@H]([NH2+]Cc1cnns1)c1ccns1 ZINC000715922290 712542664 /nfs/dbraw/zinc/54/26/64/712542664.db2.gz RHUJMRRDNXEXHN-ZCFIWIBFSA-N 1 2 226.330 1.845 20 0 BDADLO Cc1nc(N[C@H]2CCCC23OCCO3)cc[nH+]1 ZINC000716032725 712547158 /nfs/dbraw/zinc/54/71/58/712547158.db2.gz KAROIMMAYRDQPI-JTQLQIEISA-N 1 2 235.287 1.493 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1cc[nH+]cc1F ZINC000716812617 712576189 /nfs/dbraw/zinc/57/61/89/712576189.db2.gz CABYDHMSRYDQHG-RKDXNWHRSA-N 1 2 212.268 1.604 20 0 BDADLO CC[C@H](C[C@@H](C)O)Nc1cc(NC)nc[nH+]1 ZINC000716864211 712579321 /nfs/dbraw/zinc/57/93/21/712579321.db2.gz GRBZLNDFJWFOQR-RKDXNWHRSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1[nH+]cnc2c1cnn2C ZINC000716914545 712582032 /nfs/dbraw/zinc/58/20/32/712582032.db2.gz HMBAUEPRARQBES-BDAKNGLRSA-N 1 2 249.318 1.325 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)[C@@H](C)O ZINC000717282584 712644667 /nfs/dbraw/zinc/64/46/67/712644667.db2.gz WSHKRWJAHLSJOM-MFKMUULPSA-N 1 2 246.310 1.697 20 0 BDADLO C[C@H]([NH2+]CC1(CO)CCC1)C(=O)OC(C)(C)C ZINC000717678091 712663960 /nfs/dbraw/zinc/66/39/60/712663960.db2.gz WFHDVCFJAFQSNR-JTQLQIEISA-N 1 2 243.347 1.469 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Nc1nccs1 ZINC000042338275 712720543 /nfs/dbraw/zinc/72/05/43/712720543.db2.gz RMHVCLVMDJSUEB-VIFPVBQESA-N 1 2 227.333 1.276 20 0 BDADLO CO[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)CC1 ZINC000718736014 712779247 /nfs/dbraw/zinc/77/92/47/712779247.db2.gz PNZWMRKPPDGIIV-GXSJLCMTSA-N 1 2 224.308 1.242 20 0 BDADLO CO[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)CC1 ZINC000718736014 712779248 /nfs/dbraw/zinc/77/92/48/712779248.db2.gz PNZWMRKPPDGIIV-GXSJLCMTSA-N 1 2 224.308 1.242 20 0 BDADLO C([NH2+][C@@H]1CNOC1)c1nc2c(s1)CCCC2 ZINC000719557870 712809466 /nfs/dbraw/zinc/80/94/66/712809466.db2.gz WLMMLFVNCAYEPD-MRVPVSSYSA-N 1 2 239.344 1.015 20 0 BDADLO Cc1conc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000720346365 712832535 /nfs/dbraw/zinc/83/25/35/712832535.db2.gz ZPUVRZXARWDSKN-AWEZNQCLSA-N 1 2 246.310 1.980 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cn(C)nn1 ZINC000720607896 712858316 /nfs/dbraw/zinc/85/83/16/712858316.db2.gz WZEQGWMBNRSUDC-DTWKUNHWSA-N 1 2 249.293 1.761 20 0 BDADLO CC1([NH2+]Cc2c[nH]cn2)CC(F)(F)C1 ZINC000720922830 712879008 /nfs/dbraw/zinc/87/90/08/712879008.db2.gz MFDBXTFDWFVXJL-UHFFFAOYSA-N 1 2 201.220 1.687 20 0 BDADLO CC[C@@](C)([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000086799500 957992835 /nfs/dbraw/zinc/99/28/35/957992835.db2.gz CIRDHDDVMOLFHD-LLVKDONJSA-N 1 2 225.292 1.116 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncn2)C[C@H](C)O1 ZINC001140344477 958253671 /nfs/dbraw/zinc/25/36/71/958253671.db2.gz AMAUWJHSDBRKDM-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncn2)C[C@H](C)O1 ZINC001140344477 958253686 /nfs/dbraw/zinc/25/36/86/958253686.db2.gz AMAUWJHSDBRKDM-AOOOYVTPSA-N 1 2 207.277 1.086 20 0 BDADLO CCCOCC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001267639924 960159042 /nfs/dbraw/zinc/15/90/42/960159042.db2.gz WOECKTKIVIEIMR-UHFFFAOYSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)n[nH]1 ZINC001203070182 960622180 /nfs/dbraw/zinc/62/21/80/960622180.db2.gz JTAQDDPGNFKUGU-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)n[nH]1 ZINC001203070182 960622188 /nfs/dbraw/zinc/62/21/88/960622188.db2.gz JTAQDDPGNFKUGU-SKDRFNHKSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)n[nH]1 ZINC001203077442 960690618 /nfs/dbraw/zinc/69/06/18/960690618.db2.gz YHMUKYLGRJIJNL-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@](C)(O)C2)n[nH]1 ZINC001203077442 960690629 /nfs/dbraw/zinc/69/06/29/960690629.db2.gz YHMUKYLGRJIJNL-LLVKDONJSA-N 1 2 209.293 1.065 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnco2)C1 ZINC001140927973 960695285 /nfs/dbraw/zinc/69/52/85/960695285.db2.gz DGLWYKQCOBZEIQ-QMMMGPOBSA-N 1 2 236.193 1.174 20 0 BDADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnco2)C1 ZINC001140927973 960695295 /nfs/dbraw/zinc/69/52/95/960695295.db2.gz DGLWYKQCOBZEIQ-QMMMGPOBSA-N 1 2 236.193 1.174 20 0 BDADLO Cc1cc(C[NH+]2CC3(CSC3)C2)[nH]n1 ZINC001203081339 960734171 /nfs/dbraw/zinc/73/41/71/960734171.db2.gz PEHMQMPHQBRSBX-UHFFFAOYSA-N 1 2 209.318 1.267 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140994726 960786575 /nfs/dbraw/zinc/78/65/75/960786575.db2.gz YXDVIIBLNYJNAZ-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140994726 960786598 /nfs/dbraw/zinc/78/65/98/960786598.db2.gz YXDVIIBLNYJNAZ-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001141055297 960854854 /nfs/dbraw/zinc/85/48/54/960854854.db2.gz ZBHDWEGORHEADD-LLVKDONJSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001141055297 960854857 /nfs/dbraw/zinc/85/48/57/960854857.db2.gz ZBHDWEGORHEADD-LLVKDONJSA-N 1 2 222.288 1.594 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(F)nc1 ZINC001149742050 962123515 /nfs/dbraw/zinc/12/35/15/962123515.db2.gz TVGWUZFGHSXNMO-SECBINFHSA-N 1 2 223.251 1.253 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(F)nc1 ZINC001149742050 962123538 /nfs/dbraw/zinc/12/35/38/962123538.db2.gz TVGWUZFGHSXNMO-SECBINFHSA-N 1 2 223.251 1.253 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)CC[C@H]1CO ZINC001204383273 962892902 /nfs/dbraw/zinc/89/29/02/962892902.db2.gz CIFWNMDMNCSIBY-VIFPVBQESA-N 1 2 245.273 1.012 20 0 BDADLO Nc1cc(CNc2cnccn2)cc[nH+]1 ZINC001156755945 963455459 /nfs/dbraw/zinc/45/54/59/963455459.db2.gz KVWMWZUTULXFAQ-UHFFFAOYSA-N 1 2 201.233 1.066 20 0 BDADLO COc1cc(C)c[nH+]c1N(C)[C@H]1CCOC1 ZINC001158574880 963891459 /nfs/dbraw/zinc/89/14/59/963891459.db2.gz OTUZPNJFWCBHRT-JTQLQIEISA-N 1 2 222.288 1.624 20 0 BDADLO CC/C=C(\C)C(=O)NCCc1[nH+]ccn1C ZINC001142674125 964893984 /nfs/dbraw/zinc/89/39/84/964893984.db2.gz IWLCTDDTKBGRCD-BJMVGYQFSA-N 1 2 221.304 1.435 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2cccs2)C1 ZINC001204015267 966856760 /nfs/dbraw/zinc/85/67/60/966856760.db2.gz NVEBVJQSKSQJEG-UHFFFAOYSA-N 1 2 224.329 1.411 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1[nH]cnc1C ZINC001204603801 967095341 /nfs/dbraw/zinc/09/53/41/967095341.db2.gz YEXCRKWFLBMAOX-NSHDSACASA-N 1 2 207.277 1.272 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1[nH]cnc1C ZINC001204603801 967095353 /nfs/dbraw/zinc/09/53/53/967095353.db2.gz YEXCRKWFLBMAOX-NSHDSACASA-N 1 2 207.277 1.272 20 0 BDADLO N#CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001168636856 967162724 /nfs/dbraw/zinc/16/27/24/967162724.db2.gz XVOQNQCKDUVPFD-UHFFFAOYSA-N 1 2 202.192 1.904 20 0 BDADLO OCCCCC[NH+]1CC(F)(C2CC2)C1 ZINC001205171732 967413377 /nfs/dbraw/zinc/41/33/77/967413377.db2.gz WKRQLSOFWJSDBQ-UHFFFAOYSA-N 1 2 201.285 1.583 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3OCC[C@H]32)co1 ZINC001206050347 968014261 /nfs/dbraw/zinc/01/42/61/968014261.db2.gz WZHKCXIHZKBCDD-GHMZBOCLSA-N 1 2 208.261 1.346 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001206190868 968119503 /nfs/dbraw/zinc/11/95/03/968119503.db2.gz CCTROMJAQHUULC-OPRDCNLKSA-N 1 2 248.367 1.144 20 0 BDADLO C[C@@H](CCO)Nc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001165868234 968299682 /nfs/dbraw/zinc/29/96/82/968299682.db2.gz SJSYBAWJZCPCNT-QMMMGPOBSA-N 1 2 243.738 1.984 20 0 BDADLO CCOC[C@@H](O)CNc1c[nH+]ccc1OCC ZINC001252016709 968438626 /nfs/dbraw/zinc/43/86/26/968438626.db2.gz GCZSWRBONGCRFZ-JTQLQIEISA-N 1 2 240.303 1.290 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1Cc2cnc(C)cc2C1 ZINC001252029882 968448181 /nfs/dbraw/zinc/44/81/81/968448181.db2.gz XPMSEYZVSWJWPM-CYBMUJFWSA-N 1 2 236.315 1.103 20 0 BDADLO CCOC[C@H](O)C[N@H+]1Cc2cnc(C)cc2C1 ZINC001252029882 968448186 /nfs/dbraw/zinc/44/81/86/968448186.db2.gz XPMSEYZVSWJWPM-CYBMUJFWSA-N 1 2 236.315 1.103 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207071443 968605197 /nfs/dbraw/zinc/60/51/97/968605197.db2.gz REGRTYFHYWPYFX-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207071443 968605201 /nfs/dbraw/zinc/60/52/01/968605201.db2.gz REGRTYFHYWPYFX-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO CCCCOC[C@@H](O)C[NH+]1CC(OCCC)C1 ZINC001252512310 968762536 /nfs/dbraw/zinc/76/25/36/968762536.db2.gz QTCNPCYMKFWVPC-LBPRGKRZSA-N 1 2 245.363 1.275 20 0 BDADLO CC(C)(C)OC[C@@H](O)CNc1[nH+]cccc1O ZINC001253443462 969178082 /nfs/dbraw/zinc/17/80/82/969178082.db2.gz SAJAPCGJDFRBCP-VIFPVBQESA-N 1 2 240.303 1.375 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+]1CC[C@H]1C(=O)OC ZINC001208918478 969276537 /nfs/dbraw/zinc/27/65/37/969276537.db2.gz OBTXQWSYLKYDLX-VIFPVBQESA-N 1 2 227.304 1.239 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+]1CC[C@H]1C(=O)OC ZINC001208918478 969276547 /nfs/dbraw/zinc/27/65/47/969276547.db2.gz OBTXQWSYLKYDLX-VIFPVBQESA-N 1 2 227.304 1.239 20 0 BDADLO CCCCOC1C[NH+](CCC(=O)OCC)C1 ZINC001209035579 969330632 /nfs/dbraw/zinc/33/06/32/969330632.db2.gz YIQPORWFPLUHES-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C(C)C ZINC001253741757 969361759 /nfs/dbraw/zinc/36/17/59/969361759.db2.gz HIGWVPCCBWMPIJ-MNOVXSKESA-N 1 2 245.363 1.571 20 0 BDADLO COCC[NH+]1CC(Oc2ccccc2)C1 ZINC001209212759 969400550 /nfs/dbraw/zinc/40/05/50/969400550.db2.gz QZUXDGZKUWNRPB-UHFFFAOYSA-N 1 2 207.273 1.396 20 0 BDADLO COCCCC[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001209219962 969409602 /nfs/dbraw/zinc/40/96/02/969409602.db2.gz UMYLTZKRVSEALG-UHFFFAOYSA-N 1 2 235.274 1.523 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)C[C@H]1C ZINC001209557459 969542173 /nfs/dbraw/zinc/54/21/73/969542173.db2.gz VCZPHUPDKXZBPM-KCJUWKMLSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)C[C@H]1C ZINC001209557459 969542179 /nfs/dbraw/zinc/54/21/79/969542179.db2.gz VCZPHUPDKXZBPM-KCJUWKMLSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnccn2)[nH]1 ZINC001209574798 969556300 /nfs/dbraw/zinc/55/63/00/969556300.db2.gz VHLMSXGBQLYNSC-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnccn2)[nH]1 ZINC001209574798 969556307 /nfs/dbraw/zinc/55/63/07/969556307.db2.gz VHLMSXGBQLYNSC-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccncn2)[nH]1 ZINC001209577314 969560951 /nfs/dbraw/zinc/56/09/51/969560951.db2.gz OJSBXTMAUQJKEW-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccncn2)[nH]1 ZINC001209577314 969560956 /nfs/dbraw/zinc/56/09/56/969560956.db2.gz OJSBXTMAUQJKEW-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001108907790 969908844 /nfs/dbraw/zinc/90/88/44/969908844.db2.gz OZNBGRRVSSUEKL-UTLUCORTSA-N 1 2 246.351 1.040 20 0 BDADLO C[NH+](C)C1(c2nnc([C@@H]3CCOC3)o2)CC1 ZINC001255564142 970352268 /nfs/dbraw/zinc/35/22/68/970352268.db2.gz YYMWBCPRYBFDBI-MRVPVSSYSA-N 1 2 223.276 1.124 20 0 BDADLO CCSC[C@@H](C)[N@@H+]1CCCC(=O)C1 ZINC001173304218 975204151 /nfs/dbraw/zinc/20/41/51/975204151.db2.gz GDCUHFFKSWYWIK-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO CCSC[C@@H](C)[N@H+]1CCCC(=O)C1 ZINC001173304218 975204158 /nfs/dbraw/zinc/20/41/58/975204158.db2.gz GDCUHFFKSWYWIK-SECBINFHSA-N 1 2 201.335 1.793 20 0 BDADLO C[N@@H+]1CCC=C(Nc2cnncc2Cl)C1 ZINC001175574976 977572181 /nfs/dbraw/zinc/57/21/81/977572181.db2.gz IDOHQFRJYSGGFH-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@H+]1CCC=C(Nc2cnncc2Cl)C1 ZINC001175574976 977572194 /nfs/dbraw/zinc/57/21/94/977572194.db2.gz IDOHQFRJYSGGFH-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO CCc1ccc(C[NH+]2CCN(C#N)CC2)s1 ZINC001231503528 977619924 /nfs/dbraw/zinc/61/99/24/977619924.db2.gz DXSBWRZWJADCCT-UHFFFAOYSA-N 1 2 235.356 1.909 20 0 BDADLO C[C@H](O)[C@H](C)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001175890519 977771891 /nfs/dbraw/zinc/77/18/91/977771891.db2.gz AMUDMJIGWKHUIX-UWVGGRQHSA-N 1 2 239.290 1.098 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)CC(C)(C)C1 ZINC001336578153 977790367 /nfs/dbraw/zinc/79/03/67/977790367.db2.gz WTVDWZUIWVEFJB-SECBINFHSA-N 1 2 220.320 1.931 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc(C)n1 ZINC001231995247 977828512 /nfs/dbraw/zinc/82/85/12/977828512.db2.gz KMMSTWPWMWDWAS-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc(C)n1 ZINC001231995247 977828519 /nfs/dbraw/zinc/82/85/19/977828519.db2.gz KMMSTWPWMWDWAS-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc(C)nc1C ZINC001232082140 977886957 /nfs/dbraw/zinc/88/69/57/977886957.db2.gz VVGRXSCBTUSKDN-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc(C)nc1C ZINC001232082140 977886961 /nfs/dbraw/zinc/88/69/61/977886961.db2.gz VVGRXSCBTUSKDN-UHFFFAOYSA-N 1 2 206.289 1.719 20 0 BDADLO Cc1scnc1C[N@@H+](C)[C@H]1CCOC1 ZINC001232203858 977927588 /nfs/dbraw/zinc/92/75/88/977927588.db2.gz KOVAZDAVKKBTIW-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO Cc1scnc1C[N@H+](C)[C@H]1CCOC1 ZINC001232203858 977927601 /nfs/dbraw/zinc/92/76/01/977927601.db2.gz KOVAZDAVKKBTIW-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccccn2)c[nH+]1 ZINC001232458356 978089836 /nfs/dbraw/zinc/08/98/36/978089836.db2.gz FPVWREHKLCILMQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2ccccn2)[nH+]1 ZINC001232458356 978089846 /nfs/dbraw/zinc/08/98/46/978089846.db2.gz FPVWREHKLCILMQ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)ccn2)CC[C@H]1F ZINC001232490661 978143725 /nfs/dbraw/zinc/14/37/25/978143725.db2.gz NBRXSKDGFMIOKK-GHMZBOCLSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)ccn2)CC[C@H]1F ZINC001232490661 978143730 /nfs/dbraw/zinc/14/37/30/978143730.db2.gz NBRXSKDGFMIOKK-GHMZBOCLSA-N 1 2 228.242 1.125 20 0 BDADLO COC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001176994960 978268793 /nfs/dbraw/zinc/26/87/93/978268793.db2.gz FKLBTCNVVJELLY-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001176994960 978268802 /nfs/dbraw/zinc/26/88/02/978268802.db2.gz FKLBTCNVVJELLY-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)c1oncc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001337356276 978300740 /nfs/dbraw/zinc/30/07/40/978300740.db2.gz JSXBEEBJZOXQLJ-JTQLQIEISA-N 1 2 237.303 1.831 20 0 BDADLO CC(C)c1oncc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001337356276 978300747 /nfs/dbraw/zinc/30/07/47/978300747.db2.gz JSXBEEBJZOXQLJ-JTQLQIEISA-N 1 2 237.303 1.831 20 0 BDADLO C[C@@H](CC(=O)Nc1ccsn1)n1cc[nH+]c1 ZINC001597911750 978387360 /nfs/dbraw/zinc/38/73/60/978387360.db2.gz IHSQFLYHSQIUDW-QMMMGPOBSA-N 1 2 236.300 1.929 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(CC(F)F)C1CCC1 ZINC001178016660 978485130 /nfs/dbraw/zinc/48/51/30/978485130.db2.gz WMBLGGFHDJPZMU-SNVBAGLBSA-N 1 2 246.301 1.727 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@@H]1C1CC1 ZINC001178001757 978488506 /nfs/dbraw/zinc/48/85/06/978488506.db2.gz WEPLFHQWUPULBN-ZJUUUORDSA-N 1 2 219.288 1.257 20 0 BDADLO CCc1[nH]c(CNC(=O)C2(OC)CCC2)c[nH+]1 ZINC001178669914 978605468 /nfs/dbraw/zinc/60/54/68/978605468.db2.gz QYYVSYFJHHLRIF-UHFFFAOYSA-N 1 2 237.303 1.157 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2(OC)CCC2)[nH+]1 ZINC001178669914 978605479 /nfs/dbraw/zinc/60/54/79/978605479.db2.gz QYYVSYFJHHLRIF-UHFFFAOYSA-N 1 2 237.303 1.157 20 0 BDADLO C[C@@H](C(=O)N(C)c1nccs1)n1cc[nH+]c1 ZINC001338781850 978734186 /nfs/dbraw/zinc/73/41/86/978734186.db2.gz MHHOYUPSMPXJEV-QMMMGPOBSA-N 1 2 236.300 1.564 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2F)c[nH+]1 ZINC001339060121 978782910 /nfs/dbraw/zinc/78/29/10/978782910.db2.gz OYFOCJWNLWHJBP-WDEREUQCSA-N 1 2 222.263 1.673 20 0 BDADLO C=C(F)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001180120185 978829019 /nfs/dbraw/zinc/82/90/19/978829019.db2.gz OROAIQGVWXZBIG-UHFFFAOYSA-N 1 2 243.307 1.551 20 0 BDADLO CC[C@H](O)C(=O)Oc1cc2[nH]ccc2c[nH+]1 ZINC001234529359 978857546 /nfs/dbraw/zinc/85/75/46/978857546.db2.gz MKMCJLZVVZXKAK-VIFPVBQESA-N 1 2 220.228 1.239 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncc(F)c2Cl)C[C@H]1O ZINC001235489986 979054989 /nfs/dbraw/zinc/05/49/89/979054989.db2.gz WSDOTMHXNUWCPR-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncc(F)c2Cl)C[C@H]1O ZINC001235489986 979054996 /nfs/dbraw/zinc/05/49/96/979054996.db2.gz WSDOTMHXNUWCPR-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC001182115590 979449826 /nfs/dbraw/zinc/44/98/26/979449826.db2.gz MGFBKHKWFKFKCO-NSHDSACASA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC001182115590 979449828 /nfs/dbraw/zinc/44/98/28/979449828.db2.gz MGFBKHKWFKFKCO-NSHDSACASA-N 1 2 237.347 1.822 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614186 979681164 /nfs/dbraw/zinc/68/11/64/979681164.db2.gz RMSVBRLBCLMRBM-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614186 979681169 /nfs/dbraw/zinc/68/11/69/979681169.db2.gz RMSVBRLBCLMRBM-SNVBAGLBSA-N 1 2 227.695 1.087 20 0 BDADLO CCOc1cncc(C[N@H+](CC)C2COC2)c1 ZINC001236840735 979752999 /nfs/dbraw/zinc/75/29/99/979752999.db2.gz MLGYFGBMXGEVRX-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cncc(C[N@@H+](CC)C2COC2)c1 ZINC001236840735 979753007 /nfs/dbraw/zinc/75/30/07/979753007.db2.gz MLGYFGBMXGEVRX-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@](C)(CC(=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC001604902720 979759244 /nfs/dbraw/zinc/75/92/44/979759244.db2.gz BCDQZQCPTJPBGM-LBPRGKRZSA-N 1 2 239.319 1.506 20 0 BDADLO COc1nc(Cl)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001237240733 979856056 /nfs/dbraw/zinc/85/60/56/979856056.db2.gz DVZXTKXAVQINCG-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO COc1nc(Cl)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC001237240733 979856061 /nfs/dbraw/zinc/85/60/61/979856061.db2.gz DVZXTKXAVQINCG-SECBINFHSA-N 1 2 242.706 1.310 20 0 BDADLO CCn1c[nH+]cc1CN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001237587388 979943403 /nfs/dbraw/zinc/94/34/03/979943403.db2.gz CWFFOVPSIGNNTG-NWDGAFQWSA-N 1 2 241.310 1.198 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238021551 980129022 /nfs/dbraw/zinc/12/90/22/980129022.db2.gz DXRHXGKRSMQGPU-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cnc(F)cc2Cl)C1 ZINC001238021551 980129025 /nfs/dbraw/zinc/12/90/25/980129025.db2.gz DXRHXGKRSMQGPU-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCCCc1c[nH+]cn1C ZINC001345060307 980537364 /nfs/dbraw/zinc/53/73/64/980537364.db2.gz PUODSCCWSCHPAD-ZYHUDNBSSA-N 1 2 236.315 1.942 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)OCc1c[nH+]cn1CC ZINC001345590334 980638564 /nfs/dbraw/zinc/63/85/64/980638564.db2.gz MUEQSKBYHCQALM-QWRGUYRKSA-N 1 2 238.287 1.371 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H](F)C(C)C ZINC001345995847 980726832 /nfs/dbraw/zinc/72/68/32/980726832.db2.gz JKQIGAPLWMQXLC-JTQLQIEISA-N 1 2 228.267 1.940 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C(C)(C)C ZINC001346748632 980898799 /nfs/dbraw/zinc/89/87/99/980898799.db2.gz XKKOZMHQPPOAFW-UHFFFAOYSA-N 1 2 210.277 1.992 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1cc(F)cc(C)[nH+]1 ZINC001348044141 981259178 /nfs/dbraw/zinc/25/91/78/981259178.db2.gz XDYCOIQFAJAXED-MRVPVSSYSA-N 1 2 240.278 1.774 20 0 BDADLO CCOCC(=O)Nc1c(C)c[nH+]cc1C ZINC001349793436 981742848 /nfs/dbraw/zinc/74/28/48/981742848.db2.gz ZAYPOWUAGVVJTN-UHFFFAOYSA-N 1 2 208.261 1.095 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)C(F)(F)F)c(C)o1 ZINC001250956783 982380574 /nfs/dbraw/zinc/38/05/74/982380574.db2.gz LJWQABBORBQYFM-MRVPVSSYSA-N 1 2 238.209 1.304 20 0 BDADLO CCc1cnc(NC(=O)C[C@H]([NH3+])C(F)F)s1 ZINC001353239368 982791904 /nfs/dbraw/zinc/79/19/04/982791904.db2.gz UZUNOBBYTNLYGZ-LURJTMIESA-N 1 2 249.286 1.627 20 0 BDADLO CC[C@@H](C)NC(=S)Nc1cc[nH+]c(C)c1 ZINC001200464426 983023265 /nfs/dbraw/zinc/02/32/65/983023265.db2.gz BUWPJGMRCVYZKV-MRVPVSSYSA-N 1 2 223.345 1.897 20 0 BDADLO CSc1cc(Nc2ccc(N)[nH+]c2)n(C)n1 ZINC001201278543 983178630 /nfs/dbraw/zinc/17/86/30/983178630.db2.gz KRJODHKYKRPFNK-UHFFFAOYSA-N 1 2 235.316 1.863 20 0 BDADLO CNC(=S)NCc1c[nH+]c2ccc(F)cn12 ZINC001200618182 983254521 /nfs/dbraw/zinc/25/45/21/983254521.db2.gz CSDYXNSAMVXBFX-UHFFFAOYSA-N 1 2 238.291 1.067 20 0 BDADLO CCc1cc(NC(=S)NC(C)C)cc[nH+]1 ZINC001200776018 983356701 /nfs/dbraw/zinc/35/67/01/983356701.db2.gz GEECKOVZDXDNAW-UHFFFAOYSA-N 1 2 223.345 1.761 20 0 BDADLO CCCC[C@@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252105649 983656532 /nfs/dbraw/zinc/65/65/32/983656532.db2.gz IHGIHBRSLVKCDY-SNVBAGLBSA-N 1 2 241.335 1.834 20 0 BDADLO CCC[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252789289 983886549 /nfs/dbraw/zinc/88/65/49/983886549.db2.gz PUJQXZWOTSGFCS-SECBINFHSA-N 1 2 235.274 1.257 20 0 BDADLO C[C@H]1C[C@@H](CO)[N@H+](Cc2ncc(Cl)s2)C1 ZINC001137105273 983943818 /nfs/dbraw/zinc/94/38/18/983943818.db2.gz KPQKLBUPNYEXIR-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ncc(Cl)s2)C1 ZINC001137105273 983943833 /nfs/dbraw/zinc/94/38/33/983943833.db2.gz KPQKLBUPNYEXIR-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CC[C@H]1F ZINC001137162836 984010786 /nfs/dbraw/zinc/01/07/86/984010786.db2.gz LFRPQSFIJAPQSG-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@H]1F ZINC001137162836 984010793 /nfs/dbraw/zinc/01/07/93/984010793.db2.gz LFRPQSFIJAPQSG-ZJUUUORDSA-N 1 2 244.697 1.640 20 0 BDADLO C[C@H](OCc1c[nH+]cn1C)C(F)(F)F ZINC001222594985 972593326 /nfs/dbraw/zinc/59/33/26/972593326.db2.gz KXMDKTCMBPYSNT-LURJTMIESA-N 1 2 208.183 1.888 20 0 BDADLO CCC[C@H](CC(=O)OC)OCc1c[nH+]cn1C ZINC001222594257 972594207 /nfs/dbraw/zinc/59/42/07/972594207.db2.gz CYPXXQXNUPZSDA-LLVKDONJSA-N 1 2 240.303 1.669 20 0 BDADLO CO[C@H](C)CO[C@@H](C)COCc1c[nH+]cn1C ZINC001222599406 972598674 /nfs/dbraw/zinc/59/86/74/972598674.db2.gz AREUVZULINCRRY-MNOVXSKESA-N 1 2 242.319 1.377 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C1CCC(F)(F)CC1 ZINC001327525171 972613363 /nfs/dbraw/zinc/61/33/63/972613363.db2.gz LRZOGBJDODBHFQ-UHFFFAOYSA-N 1 2 230.262 1.814 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C1CCC(F)(F)CC1 ZINC001327525171 972613365 /nfs/dbraw/zinc/61/33/65/972613365.db2.gz LRZOGBJDODBHFQ-UHFFFAOYSA-N 1 2 230.262 1.814 20 0 BDADLO COC(=O)CCCCc1nnc(C[NH+](C)C)o1 ZINC001328504877 973110913 /nfs/dbraw/zinc/11/09/13/973110913.db2.gz HRNDOFFTCHSPPA-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)Cc1ccccn1 ZINC001256427427 970834143 /nfs/dbraw/zinc/83/41/43/970834143.db2.gz WQACUYWWPBKNIW-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC001256427427 970834148 /nfs/dbraw/zinc/83/41/48/970834148.db2.gz WQACUYWWPBKNIW-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001256619240 970883501 /nfs/dbraw/zinc/88/35/01/970883501.db2.gz WHQPDDGCPDQNGV-SFYZADRCSA-N 1 2 204.233 1.438 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)ccc(F)c2F)C[C@H]1O ZINC001137926853 970952328 /nfs/dbraw/zinc/95/23/28/970952328.db2.gz DOMHXBADNOTAOT-WRWORJQWSA-N 1 2 245.244 1.917 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2F)C[C@H]1O ZINC001137926853 970952338 /nfs/dbraw/zinc/95/23/38/970952338.db2.gz DOMHXBADNOTAOT-WRWORJQWSA-N 1 2 245.244 1.917 20 0 BDADLO COc1cc[nH+]c(Nc2cnc(OC)c(O)c2)c1 ZINC001216205054 970987222 /nfs/dbraw/zinc/98/72/22/970987222.db2.gz CQHMEIKPRZXFKC-UHFFFAOYSA-N 1 2 247.254 1.943 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403707580 971022928 /nfs/dbraw/zinc/02/29/28/971022928.db2.gz DYYAFJBJFYSVHI-AXFHLTTASA-N 1 2 233.315 1.505 20 0 BDADLO COC(=O)c1cccc(C2=C[NH2+]CCC2)n1 ZINC001243947939 971032730 /nfs/dbraw/zinc/03/27/30/971032730.db2.gz SJHSTHMUOFIAKS-UHFFFAOYSA-N 1 2 218.256 1.593 20 0 BDADLO c1nsc2ncnc(C3=C[NH2+]CCC3)c12 ZINC001243948710 971034277 /nfs/dbraw/zinc/03/42/77/971034277.db2.gz DRABTTZQRXWZQX-UHFFFAOYSA-N 1 2 218.285 1.811 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000403743310 971043650 /nfs/dbraw/zinc/04/36/50/971043650.db2.gz MYQBJJWYWIXPND-IJLUTSLNSA-N 1 2 245.326 1.547 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257255140 971153685 /nfs/dbraw/zinc/15/36/85/971153685.db2.gz YRJMOGJLTCIRLH-PWSUYJOCSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3cnn(C)c3C2)C1 ZINC001170553100 971158812 /nfs/dbraw/zinc/15/88/12/971158812.db2.gz FNSLNRIXPNHMDT-MWLCHTKSSA-N 1 2 249.314 1.077 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3cnn(C)c3C2)C1 ZINC001170553100 971158817 /nfs/dbraw/zinc/15/88/17/971158817.db2.gz FNSLNRIXPNHMDT-MWLCHTKSSA-N 1 2 249.314 1.077 20 0 BDADLO CC[NH2+]Cc1noc(COCc2ccccc2)n1 ZINC000404475315 971167797 /nfs/dbraw/zinc/16/77/97/971167797.db2.gz NUIAHCZSGQUWAM-UHFFFAOYSA-N 1 2 247.298 1.896 20 0 BDADLO CCC(CC)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257295962 971184352 /nfs/dbraw/zinc/18/43/52/971184352.db2.gz GHXACKWRDMIEDL-SCZZXKLOSA-N 1 2 217.284 1.760 20 0 BDADLO CCC(CC)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257295962 971184355 /nfs/dbraw/zinc/18/43/55/971184355.db2.gz GHXACKWRDMIEDL-SCZZXKLOSA-N 1 2 217.284 1.760 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001170569265 971206209 /nfs/dbraw/zinc/20/62/09/971206209.db2.gz ICLPNGZMVSGAEM-MNOVXSKESA-N 1 2 249.314 1.040 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCn3nccc3C2)C1 ZINC001170569265 971206218 /nfs/dbraw/zinc/20/62/18/971206218.db2.gz ICLPNGZMVSGAEM-MNOVXSKESA-N 1 2 249.314 1.040 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000308766766 971298601 /nfs/dbraw/zinc/29/86/01/971298601.db2.gz SEJWJUBNWPJROH-MVWJERBFSA-N 1 2 241.331 1.341 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001257415574 971310183 /nfs/dbraw/zinc/31/01/83/971310183.db2.gz UMVMQZUYVKIBDS-IJLUTSLNSA-N 1 2 245.363 1.857 20 0 BDADLO CC(C)(C)Cc1nnc([C@@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217694911 971329943 /nfs/dbraw/zinc/32/99/43/971329943.db2.gz FYTHGFVBBJBXHY-IUCAKERBSA-N 1 2 239.319 1.444 20 0 BDADLO Cc1ccc(-c2nnc([C@@H]([NH3+])CO)o2)cc1C ZINC001217697896 971334215 /nfs/dbraw/zinc/33/42/15/971334215.db2.gz BQUZEJBBBSTJMV-JTQLQIEISA-N 1 2 233.271 1.346 20 0 BDADLO O[C@@H]1CC[NH2+][C@H](c2nnc(C3CCCC3)o2)C1 ZINC001217696344 971335250 /nfs/dbraw/zinc/33/52/50/971335250.db2.gz ODGPXMCHBCCOQI-ZJUUUORDSA-N 1 2 237.303 1.513 20 0 BDADLO CC(C)Cc1nnc([C@@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217696904 971335857 /nfs/dbraw/zinc/33/58/57/971335857.db2.gz SKFGNMNFYOZSHS-BDAKNGLRSA-N 1 2 225.292 1.054 20 0 BDADLO CCCCCCc1nnc([C@@H]([NH3+])COC)o1 ZINC001217715041 971354016 /nfs/dbraw/zinc/35/40/16/971354016.db2.gz RGGCKUIJWRGVIW-VIFPVBQESA-N 1 2 227.308 1.839 20 0 BDADLO CCOC(=[NH2+])CCCCO[C@H]1CCCOC1=O ZINC001224963704 974104596 /nfs/dbraw/zinc/10/45/96/974104596.db2.gz PHPWPQSOEFNDID-JTQLQIEISA-N 1 2 243.303 1.893 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)n1 ZINC001204068434 974105536 /nfs/dbraw/zinc/10/55/36/974105536.db2.gz HXWLPJRANIEXHY-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C/c2cnccn2)o1 ZINC001257945703 971547022 /nfs/dbraw/zinc/54/70/22/971547022.db2.gz ZDOIMRDYCSWPHX-ONEGZZNKSA-N 1 2 231.259 1.092 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc[nH]n2)[C@H]2CCCC[C@@H]12 ZINC001330558654 974315143 /nfs/dbraw/zinc/31/51/43/974315143.db2.gz HGAGYRNHCXZXBE-VWYCJHECSA-N 1 2 220.320 1.815 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc[nH]n2)[C@H]2CCCC[C@@H]12 ZINC001330558654 974315155 /nfs/dbraw/zinc/31/51/55/974315155.db2.gz HGAGYRNHCXZXBE-VWYCJHECSA-N 1 2 220.320 1.815 20 0 BDADLO Oc1cc2c(cc1OC1CC(O)C1)CC[NH+]=C2 ZINC001218258494 971659607 /nfs/dbraw/zinc/65/96/07/971659607.db2.gz HEGULSVCGPAFTK-UHFFFAOYSA-N 1 2 233.267 1.269 20 0 BDADLO Cc1csc(CN2CC3(CC[N@H+]3C)C2)c1 ZINC001276776812 971668074 /nfs/dbraw/zinc/66/80/74/971668074.db2.gz CACVNQKPHNQFKS-UHFFFAOYSA-N 1 2 222.357 1.946 20 0 BDADLO Cc1csc(CN2CC3(CC[N@@H+]3C)C2)c1 ZINC001276776812 971668080 /nfs/dbraw/zinc/66/80/80/971668080.db2.gz CACVNQKPHNQFKS-UHFFFAOYSA-N 1 2 222.357 1.946 20 0 BDADLO CC[NH+]1CC(Oc2cc(OC)cc(OC)c2)C1 ZINC001225305606 974385545 /nfs/dbraw/zinc/38/55/45/974385545.db2.gz BNFYKUFHRHFWSU-UHFFFAOYSA-N 1 2 237.299 1.787 20 0 BDADLO CC1(C)[C@@H]2C[C@H](N3CC[NH2+]CC(F)(F)C3)C[C@@H]21 ZINC001170748165 971717419 /nfs/dbraw/zinc/71/74/19/971717419.db2.gz YNNQKZKIGLIHKX-JGPRNRPPSA-N 1 2 244.329 1.962 20 0 BDADLO Cc1[nH]c2ccc(O[C@H]3C[C@@H](O)C3)cc2[nH+]1 ZINC001218416851 971792490 /nfs/dbraw/zinc/79/24/90/971792490.db2.gz HGGASJPSKTYDPW-WAAGHKOSSA-N 1 2 218.256 1.773 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCCOCC2)CC1 ZINC001170775303 971801405 /nfs/dbraw/zinc/80/14/05/971801405.db2.gz JMZWROBBJSFBGZ-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC001172316045 974521400 /nfs/dbraw/zinc/52/14/00/974521400.db2.gz FDCDEWRBQWDLID-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)[NH2+]CC(=O)OC ZINC001172318627 974528178 /nfs/dbraw/zinc/52/81/78/974528178.db2.gz KJNDYCTYLUJTRZ-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO Cn1c(NC(=O)C2(F)C[NH2+]C2)cc2ccccc21 ZINC001218725304 971925005 /nfs/dbraw/zinc/92/50/05/971925005.db2.gz RHQBGXMYAJOQNA-UHFFFAOYSA-N 1 2 247.273 1.428 20 0 BDADLO C[C@@H]1CC[C@@H]([N@@H+]2CCOC(=O)C2)C[C@@H]1C ZINC001172379910 974586715 /nfs/dbraw/zinc/58/67/15/974586715.db2.gz PXSQILYQWVHXCV-OUAUKWLOSA-N 1 2 211.305 1.670 20 0 BDADLO C[C@@H]1CC[C@@H]([N@H+]2CCOC(=O)C2)C[C@@H]1C ZINC001172379910 974586724 /nfs/dbraw/zinc/58/67/24/974586724.db2.gz PXSQILYQWVHXCV-OUAUKWLOSA-N 1 2 211.305 1.670 20 0 BDADLO Nc1cccc(Cl)c1NC(=O)C1(F)C[NH2+]C1 ZINC001218907314 971959762 /nfs/dbraw/zinc/95/97/62/971959762.db2.gz PMGBOXBWKMXXQB-UHFFFAOYSA-N 1 2 243.669 1.172 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1nnnn1C ZINC000189818042 972011333 /nfs/dbraw/zinc/01/13/33/972011333.db2.gz FKKMXLXATRKICY-RKDXNWHRSA-N 1 2 232.291 1.017 20 0 BDADLO Cn1ccc(NCCCn2cc[nH+]c2)cc1=O ZINC000314596679 972163046 /nfs/dbraw/zinc/16/30/46/972163046.db2.gz FXYMIQJHMDUUDA-UHFFFAOYSA-N 1 2 232.287 1.084 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC001136651673 972220671 /nfs/dbraw/zinc/22/06/71/972220671.db2.gz QCNGFIBRFITTBZ-NSHDSACASA-N 1 2 233.315 1.580 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CC12CC2 ZINC001136651672 972221082 /nfs/dbraw/zinc/22/10/82/972221082.db2.gz QCNGFIBRFITTBZ-LLVKDONJSA-N 1 2 233.315 1.580 20 0 BDADLO Cc1cc(C)c(Nc2nccnc2C(N)=O)c[nH+]1 ZINC001213508070 957048660 /nfs/dbraw/zinc/04/86/60/957048660.db2.gz KQEVJRLIDTXDNA-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@@H]1F ZINC001345070811 957081824 /nfs/dbraw/zinc/08/18/24/957081824.db2.gz DVKALOJWXCUHIU-ZJUUUORDSA-N 1 2 234.230 1.736 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cscn1 ZINC000705335099 957123826 /nfs/dbraw/zinc/12/38/26/957123826.db2.gz IZUNRPGYMDNBQX-SCZZXKLOSA-N 1 2 212.318 1.488 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cscn1 ZINC000705335099 957123838 /nfs/dbraw/zinc/12/38/38/957123838.db2.gz IZUNRPGYMDNBQX-SCZZXKLOSA-N 1 2 212.318 1.488 20 0 BDADLO CC[C@@H](CCC(=O)OC)C[N@@H+]1CCCC(=O)C1 ZINC001208797209 957168402 /nfs/dbraw/zinc/16/84/02/957168402.db2.gz MCNLBFNYXWQSAA-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO CC[C@@H](CCC(=O)OC)C[N@H+]1CCCC(=O)C1 ZINC001208797209 957168410 /nfs/dbraw/zinc/16/84/10/957168410.db2.gz MCNLBFNYXWQSAA-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)no1 ZINC001206815185 957381555 /nfs/dbraw/zinc/38/15/55/957381555.db2.gz JQTFBORMZMERIT-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)no1 ZINC001206815185 957381566 /nfs/dbraw/zinc/38/15/66/957381566.db2.gz JQTFBORMZMERIT-PWSUYJOCSA-N 1 2 222.288 1.594 20 0 BDADLO O=C(CCCn1cccc1)NCCc1[nH]cc[nH+]1 ZINC001136817674 972265132 /nfs/dbraw/zinc/26/51/32/972265132.db2.gz XHPNLJXBGREJHT-UHFFFAOYSA-N 1 2 246.314 1.350 20 0 BDADLO C/C(=C/c1ccco1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001136817851 972266095 /nfs/dbraw/zinc/26/60/95/972266095.db2.gz CTHCFDQRFIBZNI-KTKRTIGZSA-N 1 2 245.282 1.765 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001209554089 957498528 /nfs/dbraw/zinc/49/85/28/957498528.db2.gz GYVSXCLYYFLDSS-GHMZBOCLSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001209554089 957498540 /nfs/dbraw/zinc/49/85/40/957498540.db2.gz GYVSXCLYYFLDSS-GHMZBOCLSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1cc(N[C@@H]2CCC(=O)N(C)C2)c[nH+]c1C ZINC001167246988 957582405 /nfs/dbraw/zinc/58/24/05/957582405.db2.gz SNLQDVSTUWKESH-LLVKDONJSA-N 1 2 233.315 1.731 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3c2OCC3)on1 ZINC000693094316 957667432 /nfs/dbraw/zinc/66/74/32/957667432.db2.gz YFHPCWXBMFHHCD-UHFFFAOYSA-N 1 2 230.267 1.899 20 0 BDADLO C(C[NH+]1CCOCC1)O[C@H]1CC2CCC1CC2 ZINC001210208112 957672467 /nfs/dbraw/zinc/67/24/67/957672467.db2.gz RJNWPUGGPDVVIT-RUXDESIVSA-N 1 2 239.359 1.914 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@H+](Cc3cnc[nH]3)C2)N1 ZINC001136868792 972283960 /nfs/dbraw/zinc/28/39/60/972283960.db2.gz SFJKLSLYVFBIKM-ZDUSSCGKSA-N 1 2 248.330 1.044 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)N1 ZINC001136868792 972283964 /nfs/dbraw/zinc/28/39/64/972283964.db2.gz SFJKLSLYVFBIKM-ZDUSSCGKSA-N 1 2 248.330 1.044 20 0 BDADLO Clc1ncc2c(n1)CC[N@@H+](Cc1c[nH]cn1)C2 ZINC001136871351 972289802 /nfs/dbraw/zinc/28/98/02/972289802.db2.gz CLMJNVNFSNQOSJ-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1ncc2c(n1)CC[N@H+](Cc1c[nH]cn1)C2 ZINC001136871351 972289808 /nfs/dbraw/zinc/28/98/08/972289808.db2.gz CLMJNVNFSNQOSJ-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Nc1cn2ccc(NCc3cccnn3)cc2[nH+]1 ZINC001167324294 957755712 /nfs/dbraw/zinc/75/57/12/957755712.db2.gz BTGOIKAZDKKVRQ-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO CCOC(=O)c1c(C[N@@H+]2CC[C@@H]2C)cnn1C ZINC001136903058 972297528 /nfs/dbraw/zinc/29/75/28/972297528.db2.gz UEPOCLLUSVRWTH-VIFPVBQESA-N 1 2 237.303 1.191 20 0 BDADLO CCOC(=O)c1c(C[N@H+]2CC[C@@H]2C)cnn1C ZINC001136903058 972297533 /nfs/dbraw/zinc/29/75/33/972297533.db2.gz UEPOCLLUSVRWTH-VIFPVBQESA-N 1 2 237.303 1.191 20 0 BDADLO COCC1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC001167364140 957902590 /nfs/dbraw/zinc/90/25/90/957902590.db2.gz UZUCRUYITDCMOB-SECBINFHSA-N 1 2 241.360 1.958 20 0 BDADLO CC[C@H](C)CN1CC[NH2+]CC(F)(F)C1 ZINC001210814783 957913014 /nfs/dbraw/zinc/91/30/14/957913014.db2.gz JTRXVEYUZREQBQ-VIFPVBQESA-N 1 2 206.280 1.573 20 0 BDADLO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001137564498 957947737 /nfs/dbraw/zinc/94/77/37/957947737.db2.gz MMLVQJBKZOYRQK-LNFKQOIKSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001137564498 957947749 /nfs/dbraw/zinc/94/77/49/957947749.db2.gz MMLVQJBKZOYRQK-LNFKQOIKSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001137564497 957948911 /nfs/dbraw/zinc/94/89/11/957948911.db2.gz MMLVQJBKZOYRQK-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001137564497 957948918 /nfs/dbraw/zinc/94/89/18/957948918.db2.gz MMLVQJBKZOYRQK-LMLFDSFASA-N 1 2 249.314 1.197 20 0 BDADLO Cc1cccn2c(CN3C[C@H]4C[C@@H](C3)O4)c[nH+]c12 ZINC001136965114 972307732 /nfs/dbraw/zinc/30/77/32/972307732.db2.gz DVYNIZLCCLICAR-BETUJISGSA-N 1 2 243.310 1.616 20 0 BDADLO COc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC001136999571 972314997 /nfs/dbraw/zinc/31/49/97/972314997.db2.gz CAGFBHWDRZAEEU-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO COc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC001136999571 972315001 /nfs/dbraw/zinc/31/50/01/972315001.db2.gz CAGFBHWDRZAEEU-BETUJISGSA-N 1 2 248.326 1.762 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@H](F)C2)cc1C ZINC001136999596 972315666 /nfs/dbraw/zinc/31/56/66/972315666.db2.gz CRQKMRXBQPKDBU-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@H](F)C2)cc1C ZINC001136999596 972315669 /nfs/dbraw/zinc/31/56/69/972315669.db2.gz CRQKMRXBQPKDBU-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000092926565 958201017 /nfs/dbraw/zinc/20/10/17/958201017.db2.gz IAROJMWOWCENKG-GHMZBOCLSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCn1cc[nH+]c1 ZINC000092926565 958201030 /nfs/dbraw/zinc/20/10/30/958201030.db2.gz IAROJMWOWCENKG-GHMZBOCLSA-N 1 2 237.303 1.068 20 0 BDADLO CCN(Cc1nccs1)C1C[NH+](C)C1 ZINC001204550432 958216199 /nfs/dbraw/zinc/21/61/99/958216199.db2.gz STXXCDCELKFVMZ-UHFFFAOYSA-N 1 2 211.334 1.279 20 0 BDADLO c1cnc([C@H]2CCC[N@H+]2Cc2ccncn2)cn1 ZINC001140347803 958264761 /nfs/dbraw/zinc/26/47/61/958264761.db2.gz WCNGSBKBHFOLLO-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnc([C@H]2CCC[N@@H+]2Cc2ccncn2)cn1 ZINC001140347803 958264770 /nfs/dbraw/zinc/26/47/70/958264770.db2.gz WCNGSBKBHFOLLO-CYBMUJFWSA-N 1 2 241.298 1.604 20 0 BDADLO [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000094657507 958297048 /nfs/dbraw/zinc/29/70/48/958297048.db2.gz KOJMEGNLZUMTOY-ZDUSSCGKSA-N 1 2 248.326 1.698 20 0 BDADLO [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000094657507 958297063 /nfs/dbraw/zinc/29/70/63/958297063.db2.gz KOJMEGNLZUMTOY-ZDUSSCGKSA-N 1 2 248.326 1.698 20 0 BDADLO CCC[C@@H](CC)N[C@H]1C[NH2+]CC1(F)F ZINC001246464663 972339863 /nfs/dbraw/zinc/33/98/63/972339863.db2.gz SHUFYULGTJLHCW-BDAKNGLRSA-N 1 2 206.280 1.762 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@H]1CNCC1(F)F ZINC001246464663 972339865 /nfs/dbraw/zinc/33/98/65/972339865.db2.gz SHUFYULGTJLHCW-BDAKNGLRSA-N 1 2 206.280 1.762 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2CCCOC2)no1 ZINC000381125734 958351013 /nfs/dbraw/zinc/35/10/13/958351013.db2.gz JJUYMENCTAFJEE-VIFPVBQESA-N 1 2 225.292 1.462 20 0 BDADLO CC1(C)CC[C@H](N[C@H]2C[NH2+]CC2(F)F)C1 ZINC001246466930 972343039 /nfs/dbraw/zinc/34/30/39/972343039.db2.gz XQFNSVXZCMAGKI-IUCAKERBSA-N 1 2 218.291 1.762 20 0 BDADLO CC1(C)CC[C@H]([NH2+][C@H]2CNCC2(F)F)C1 ZINC001246466930 972343041 /nfs/dbraw/zinc/34/30/41/972343041.db2.gz XQFNSVXZCMAGKI-IUCAKERBSA-N 1 2 218.291 1.762 20 0 BDADLO Nc1ccc(F)cc1C(=O)NCCn1cc[nH+]c1 ZINC000041118835 972347986 /nfs/dbraw/zinc/34/79/86/972347986.db2.gz DLDWZNIEVBIUFF-UHFFFAOYSA-N 1 2 248.261 1.034 20 0 BDADLO COC[C@]1(c2nc(C3CC3)no2)CCCC[NH2+]1 ZINC000692353289 958643090 /nfs/dbraw/zinc/64/30/90/958643090.db2.gz HYFJNYCNANZEKN-LBPRGKRZSA-N 1 2 237.303 1.562 20 0 BDADLO Cc1c([C@H](C)OCCn2cc[nH+]c2)cnn1C ZINC001222129672 972375992 /nfs/dbraw/zinc/37/59/92/972375992.db2.gz ROZXPMBSQXPOGO-NSHDSACASA-N 1 2 234.303 1.703 20 0 BDADLO CCC(=O)[C@H](CC)OCCn1cc[nH+]c1 ZINC001222134675 972380339 /nfs/dbraw/zinc/38/03/39/972380339.db2.gz JWNCFBWKXIILEW-NSHDSACASA-N 1 2 210.277 1.657 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@H]1CCOC1 ZINC001167522161 958836138 /nfs/dbraw/zinc/83/61/38/958836138.db2.gz UBCLBSOGZCXBCE-RKDXNWHRSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@H]1CCOC1 ZINC001167522161 958836141 /nfs/dbraw/zinc/83/61/41/958836141.db2.gz UBCLBSOGZCXBCE-RKDXNWHRSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@H](c1nc(-c2ccncc2)no1)n1cc[nH+]c1 ZINC000349862860 958901112 /nfs/dbraw/zinc/90/11/12/958901112.db2.gz VAVCFRRLIUGDMX-SECBINFHSA-N 1 2 241.254 1.937 20 0 BDADLO COC(=O)C1(C)CC(OCCn2cc[nH+]c2)C1 ZINC001222139977 972386057 /nfs/dbraw/zinc/38/60/57/972386057.db2.gz ZITRUEUVPIAFKA-UHFFFAOYSA-N 1 2 238.287 1.241 20 0 BDADLO C[C@H](OCCn1cc[nH+]c1)c1cnccn1 ZINC001222138876 972388240 /nfs/dbraw/zinc/38/82/40/972388240.db2.gz LDXUBNNWCGHVKP-JTQLQIEISA-N 1 2 218.260 1.451 20 0 BDADLO Cc1nc(NC[C@]23C[C@H]2CCCC3)nc(N)[nH+]1 ZINC000693609413 958987326 /nfs/dbraw/zinc/98/73/26/958987326.db2.gz BJSJYDLGCDEXIC-SKDRFNHKSA-N 1 2 233.319 1.754 20 0 BDADLO Cc1nc(N)nc(NC[C@]23C[C@H]2CCCC3)[nH+]1 ZINC000693609413 958987342 /nfs/dbraw/zinc/98/73/42/958987342.db2.gz BJSJYDLGCDEXIC-SKDRFNHKSA-N 1 2 233.319 1.754 20 0 BDADLO COc1cnc(C)nc1NCc1cc[nH+]c(N)c1 ZINC001167616645 959083885 /nfs/dbraw/zinc/08/38/85/959083885.db2.gz DKWDNBUFRRAIGG-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1ccc(NCc2cc[nH+]c(N)c2)cn1 ZINC001167617846 959087424 /nfs/dbraw/zinc/08/74/24/959087424.db2.gz XXAHQJUEPAEKHV-UHFFFAOYSA-N 1 2 230.271 1.680 20 0 BDADLO Cc1ccnc(NCc2cc[nH+]c(N)c2)n1 ZINC001167617845 959088867 /nfs/dbraw/zinc/08/88/67/959088867.db2.gz XWYVETYCIHSWFJ-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO COc1cnc(NCc2cc[nH+]c(N)c2)cn1 ZINC001167617871 959092289 /nfs/dbraw/zinc/09/22/89/959092289.db2.gz ZJWDXOLCJDSKNC-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Nc1cc(CNc2nccnc2Cl)cc[nH+]1 ZINC001167617432 959092714 /nfs/dbraw/zinc/09/27/14/959092714.db2.gz MPTQEUUWPJLGFY-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO CC[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000724709136 959234174 /nfs/dbraw/zinc/23/41/74/959234174.db2.gz VSEPZGMJWDYBMF-HTQZYQBOSA-N 1 2 220.263 1.370 20 0 BDADLO CCC(C)(C)[C@H](C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724772689 959429101 /nfs/dbraw/zinc/42/91/01/959429101.db2.gz YJLZHGVEDJMZNK-JGVFFNPUSA-N 1 2 236.306 1.910 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)OC[C@H]2C)c[nH+]1 ZINC000724782802 959489909 /nfs/dbraw/zinc/48/99/09/959489909.db2.gz MKYCIQHQMOMNBH-RKDXNWHRSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](C)OC[C@H]2C)[nH+]1 ZINC000724782802 959489912 /nfs/dbraw/zinc/48/99/12/959489912.db2.gz MKYCIQHQMOMNBH-RKDXNWHRSA-N 1 2 209.293 1.327 20 0 BDADLO CCc1nnc2n1CC[N@@H+](Cc1cc[nH]c1)C2 ZINC001140709010 959684129 /nfs/dbraw/zinc/68/41/29/959684129.db2.gz PTWCIEAIEZKPGB-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCc1nnc2n1CC[N@H+](Cc1cc[nH]c1)C2 ZINC001140709010 959684140 /nfs/dbraw/zinc/68/41/40/959684140.db2.gz PTWCIEAIEZKPGB-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CC(=O)NCC[N@H+](Cc1conc1C)C1CC1 ZINC001493338017 959874056 /nfs/dbraw/zinc/87/40/56/959874056.db2.gz SUBZFBWXFHMIDV-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NCC[N@@H+](Cc1conc1C)C1CC1 ZINC001493338017 959874059 /nfs/dbraw/zinc/87/40/59/959874059.db2.gz SUBZFBWXFHMIDV-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(NC(=O)[C@]2(F)CCOC2)c(C)c[nH+]1 ZINC001327155335 972465665 /nfs/dbraw/zinc/46/56/65/972465665.db2.gz QPPVGTFOHZLIOM-LBPRGKRZSA-N 1 2 238.262 1.187 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(F)CCOC2)c(C)c[nH+]1 ZINC001327155334 972466816 /nfs/dbraw/zinc/46/68/16/972466816.db2.gz QPPVGTFOHZLIOM-GFCCVEGCSA-N 1 2 238.262 1.187 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140889801 960043397 /nfs/dbraw/zinc/04/33/97/960043397.db2.gz LFDDGUJIMAZWLI-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(O)c(F)c1F ZINC001140889801 960043411 /nfs/dbraw/zinc/04/34/11/960043411.db2.gz LFDDGUJIMAZWLI-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO c1coc(C[NH+]2CCC(c3ncccn3)CC2)n1 ZINC001141007572 960188361 /nfs/dbraw/zinc/18/83/61/960188361.db2.gz RRERDURHVZXFQE-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO Cc1cc(COC2C[NH+](C(C)C)C2)on1 ZINC001222444148 972488148 /nfs/dbraw/zinc/48/81/48/972488148.db2.gz SMYVOICWSDQDFS-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141047797 960258766 /nfs/dbraw/zinc/25/87/66/960258766.db2.gz SXGPSLXONNKLMT-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccn2ccnc2c1 ZINC001141047797 960258780 /nfs/dbraw/zinc/25/87/80/960258780.db2.gz SXGPSLXONNKLMT-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCCN1Cc1ccn2cc[nH+]c2c1 ZINC001141047797 960258795 /nfs/dbraw/zinc/25/87/95/960258795.db2.gz SXGPSLXONNKLMT-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO CC(C)(CNc1cc(F)ncn1)n1cc[nH+]c1 ZINC000692571974 960307700 /nfs/dbraw/zinc/30/77/00/960307700.db2.gz JBBSDZWLCDZGDE-UHFFFAOYSA-N 1 2 235.266 1.659 20 0 BDADLO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1ncn(C)n1 ZINC000695657902 960328027 /nfs/dbraw/zinc/32/80/27/960328027.db2.gz ZBUOQLCKQJFRPK-HTQZYQBOSA-N 1 2 228.727 1.626 20 0 BDADLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)nc(F)n1 ZINC000709188083 960408448 /nfs/dbraw/zinc/40/84/48/960408448.db2.gz HLKCLKDBSXUNRE-SECBINFHSA-N 1 2 235.266 1.621 20 0 BDADLO CC(C)CC(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140708933 960530120 /nfs/dbraw/zinc/53/01/20/960530120.db2.gz MDYCARZNZLEFBZ-UHFFFAOYSA-N 1 2 249.358 1.705 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](OC)C2CCC2)n1 ZINC000692735510 960548302 /nfs/dbraw/zinc/54/83/02/960548302.db2.gz LIDALTBTPGYATB-JTQLQIEISA-N 1 2 225.292 1.667 20 0 BDADLO O[C@@H]1CN(Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1F ZINC001140802248 960585038 /nfs/dbraw/zinc/58/50/38/960585038.db2.gz RWDNWLHEJKDBHR-CMPLNLGQSA-N 1 2 235.262 1.078 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001203066890 960599153 /nfs/dbraw/zinc/59/91/53/960599153.db2.gz JMHVNRXFXBSRLI-VXGBXAGGSA-N 1 2 235.331 1.400 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001203066890 960599169 /nfs/dbraw/zinc/59/91/69/960599169.db2.gz JMHVNRXFXBSRLI-VXGBXAGGSA-N 1 2 235.331 1.400 20 0 BDADLO CCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105314807 960610376 /nfs/dbraw/zinc/61/03/76/960610376.db2.gz IFZDDLPXMULVFW-UHFFFAOYSA-N 1 2 236.319 1.090 20 0 BDADLO COc1ccc(C[NH+]2CC(CO)C2)c(Cl)c1 ZINC001140822275 960616315 /nfs/dbraw/zinc/61/63/15/960616315.db2.gz KAUXHIUHMNQSEQ-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)n[nH]1 ZINC001203070365 960624026 /nfs/dbraw/zinc/62/40/26/960624026.db2.gz QICHWYVMOQLGCH-SCZZXKLOSA-N 1 2 227.258 1.805 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)n[nH]1 ZINC001203070365 960624039 /nfs/dbraw/zinc/62/40/39/960624039.db2.gz QICHWYVMOQLGCH-SCZZXKLOSA-N 1 2 227.258 1.805 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)n[nH]1 ZINC001203075293 960664912 /nfs/dbraw/zinc/66/49/12/960664912.db2.gz CKDTVMPLFNUEFB-INTQDDNPSA-N 1 2 209.268 1.650 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)n[nH]1 ZINC001203075293 960664921 /nfs/dbraw/zinc/66/49/21/960664921.db2.gz CKDTVMPLFNUEFB-INTQDDNPSA-N 1 2 209.268 1.650 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncncc3C2)n[nH]1 ZINC001203076429 960678705 /nfs/dbraw/zinc/67/87/05/960678705.db2.gz AWJFIRILNCRTRJ-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncncc3C2)n[nH]1 ZINC001203076429 960678714 /nfs/dbraw/zinc/67/87/14/960678714.db2.gz AWJFIRILNCRTRJ-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO O[C@@H](C[NH2+]CC(F)F)c1ccccc1 ZINC000037755885 960684532 /nfs/dbraw/zinc/68/45/32/960684532.db2.gz XDQJDKCNBCCGHO-VIFPVBQESA-N 1 2 201.216 1.575 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)C[C@H]2C)n[nH]1 ZINC001203076622 960690901 /nfs/dbraw/zinc/69/09/01/960690901.db2.gz HDTACVMZSRUCIA-KOLCDFICSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)C[C@H]2C)n[nH]1 ZINC001203076622 960690917 /nfs/dbraw/zinc/69/09/17/960690917.db2.gz HDTACVMZSRUCIA-KOLCDFICSA-N 1 2 209.293 1.063 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cnco2)C1 ZINC001140927972 960692648 /nfs/dbraw/zinc/69/26/48/960692648.db2.gz DGLWYKQCOBZEIQ-MRVPVSSYSA-N 1 2 236.193 1.174 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnco2)C1 ZINC001140927972 960692654 /nfs/dbraw/zinc/69/26/54/960692654.db2.gz DGLWYKQCOBZEIQ-MRVPVSSYSA-N 1 2 236.193 1.174 20 0 BDADLO COc1cc(C(N)=O)ccc1-c1ccc[nH+]c1N ZINC001222559050 960701327 /nfs/dbraw/zinc/70/13/27/960701327.db2.gz PSPMEAGLMASAQC-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001140934673 960716586 /nfs/dbraw/zinc/71/65/86/960716586.db2.gz RWBWQVFKBAGOED-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001140934673 960716600 /nfs/dbraw/zinc/71/66/00/960716600.db2.gz RWBWQVFKBAGOED-SNVBAGLBSA-N 1 2 233.315 1.586 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnco1)C2 ZINC001140933979 960720453 /nfs/dbraw/zinc/72/04/53/960720453.db2.gz OWELSILSTMSTGR-ONGXEEELSA-N 1 2 208.261 1.428 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnco1)C2 ZINC001140933979 960720469 /nfs/dbraw/zinc/72/04/69/960720469.db2.gz OWELSILSTMSTGR-ONGXEEELSA-N 1 2 208.261 1.428 20 0 BDADLO CCCC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001144035040 972528830 /nfs/dbraw/zinc/52/88/30/972528830.db2.gz YMMWGRNDKMZSKZ-UHFFFAOYSA-N 1 2 249.314 1.485 20 0 BDADLO CCCC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001144035040 972528849 /nfs/dbraw/zinc/52/88/49/972528849.db2.gz YMMWGRNDKMZSKZ-UHFFFAOYSA-N 1 2 249.314 1.485 20 0 BDADLO Cc1cc(C[N@H+]2CCc3c(cnn3C)C2)n[nH]1 ZINC001203081136 960738362 /nfs/dbraw/zinc/73/83/62/960738362.db2.gz LUIOVSHEQQXJPT-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3c(cnn3C)C2)n[nH]1 ZINC001203081136 960738383 /nfs/dbraw/zinc/73/83/83/960738383.db2.gz LUIOVSHEQQXJPT-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO OC1C[NH+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140975898 960766150 /nfs/dbraw/zinc/76/61/50/960766150.db2.gz RRLCZJIDLXJQBN-UHFFFAOYSA-N 1 2 241.294 1.320 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)n[nH]1 ZINC001203082770 960771073 /nfs/dbraw/zinc/77/10/73/960771073.db2.gz YIFRKWJZYQXROZ-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)n[nH]1 ZINC001203082770 960771082 /nfs/dbraw/zinc/77/10/82/960771082.db2.gz YIFRKWJZYQXROZ-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO C[C@H]1C[C@H]2C[N@H+](Cc3csnn3)CC[C@H]2O1 ZINC001140995150 960787402 /nfs/dbraw/zinc/78/74/02/960787402.db2.gz HLUADMJWCWNHTN-ATZCPNFKSA-N 1 2 239.344 1.537 20 0 BDADLO C[C@H]1C[C@H]2C[N@@H+](Cc3csnn3)CC[C@H]2O1 ZINC001140995150 960787417 /nfs/dbraw/zinc/78/74/17/960787417.db2.gz HLUADMJWCWNHTN-ATZCPNFKSA-N 1 2 239.344 1.537 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cn[nH]c2)C[C@H]1F ZINC001203086120 960805114 /nfs/dbraw/zinc/80/51/14/960805114.db2.gz KFZDBDUCWCWRAK-NXEZZACHSA-N 1 2 215.247 1.682 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cn[nH]c2)C[C@H]1F ZINC001203086120 960805117 /nfs/dbraw/zinc/80/51/17/960805117.db2.gz KFZDBDUCWCWRAK-NXEZZACHSA-N 1 2 215.247 1.682 20 0 BDADLO CC(=O)OC1CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141044802 960829982 /nfs/dbraw/zinc/82/99/82/960829982.db2.gz YOIVCQSCQFFRSS-UHFFFAOYSA-N 1 2 245.282 1.082 20 0 BDADLO CCOC(=O)CN(C)Cc1ccn2cc[nH+]c2c1 ZINC001141048919 960839076 /nfs/dbraw/zinc/83/90/76/960839076.db2.gz TUXGVJYQXSPMBY-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO Cc1ncoc1CN1CCn2c[nH+]cc2C1 ZINC001141052695 960848325 /nfs/dbraw/zinc/84/83/25/960848325.db2.gz DDIKCILAPDMHSH-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CCCCc1[nH]c(CN2CCO[C@H]3C[C@H]32)c[nH+]1 ZINC001141072815 960859205 /nfs/dbraw/zinc/85/92/05/960859205.db2.gz AQDCVMDXXBTERU-NEPJUHHUSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]cc(CN2CCO[C@H]3C[C@H]32)[nH+]1 ZINC001141072815 960859207 /nfs/dbraw/zinc/85/92/07/960859207.db2.gz AQDCVMDXXBTERU-NEPJUHHUSA-N 1 2 235.331 1.725 20 0 BDADLO CCCCc1[nH]c(CN2CC3(CCO3)C2)c[nH+]1 ZINC001141071880 960864282 /nfs/dbraw/zinc/86/42/82/960864282.db2.gz FXHVWQDIIHOXDP-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO CCCCc1[nH]cc(CN2CC3(CCO3)C2)[nH+]1 ZINC001141071880 960864286 /nfs/dbraw/zinc/86/42/86/960864286.db2.gz FXHVWQDIIHOXDP-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO CC(=O)N(C)C1CC[NH+](Cc2cocn2)CC1 ZINC001141130717 960883393 /nfs/dbraw/zinc/88/33/93/960883393.db2.gz XUMLHEZRLMTWMQ-UHFFFAOYSA-N 1 2 237.303 1.117 20 0 BDADLO CN(c1cccc(CCO)c1)c1[nH+]cccc1N ZINC001203106810 961009886 /nfs/dbraw/zinc/00/98/86/961009886.db2.gz VWGYZHQIEOFYMR-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2CCN3CC[C@H]3C2)c1 ZINC001141270296 961030874 /nfs/dbraw/zinc/03/08/74/961030874.db2.gz ONBRMIVTKHOEAH-HNNXBMFYSA-N 1 2 245.370 1.643 20 0 BDADLO CN(C)c1cccc(C[N@H+]2CCN3CC[C@H]3C2)c1 ZINC001141270296 961030900 /nfs/dbraw/zinc/03/09/00/961030900.db2.gz ONBRMIVTKHOEAH-HNNXBMFYSA-N 1 2 245.370 1.643 20 0 BDADLO CN(C)c1cccc(C[N@@H+]2CCN3CC[C@@H]3C2)c1 ZINC001141270297 961034584 /nfs/dbraw/zinc/03/45/84/961034584.db2.gz ONBRMIVTKHOEAH-OAHLLOKOSA-N 1 2 245.370 1.643 20 0 BDADLO CN(C)c1cccc(C[N@H+]2CCN3CC[C@@H]3C2)c1 ZINC001141270297 961034599 /nfs/dbraw/zinc/03/45/99/961034599.db2.gz ONBRMIVTKHOEAH-OAHLLOKOSA-N 1 2 245.370 1.643 20 0 BDADLO Cc1onc(-c2ccccc2)c1C[NH+]1CC(O)C1 ZINC001141979724 961200195 /nfs/dbraw/zinc/20/01/95/961200195.db2.gz ZBCVJZOXHWJTTC-UHFFFAOYSA-N 1 2 244.294 1.827 20 0 BDADLO CCc1noc(-c2ccnc(NC=[NH2+])c2)n1 ZINC001167864050 961331173 /nfs/dbraw/zinc/33/11/73/961331173.db2.gz AFTWSVPQGNRQKX-UHFFFAOYSA-N 1 2 217.232 1.713 20 0 BDADLO COC(=O)n1ccc2ccc(NC=[NH2+])nc21 ZINC001167865320 961339935 /nfs/dbraw/zinc/33/99/35/961339935.db2.gz OXIUYYUEAFFCPD-UHFFFAOYSA-N 1 2 218.216 1.670 20 0 BDADLO CCCOCCNc1cc(N(C)CC)[nH+]cn1 ZINC001167873059 961390102 /nfs/dbraw/zinc/39/01/02/961390102.db2.gz YUUWOZBZIPCDTH-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCCOCCNc1cc(N(C)CC)nc[nH+]1 ZINC001167873059 961390078 /nfs/dbraw/zinc/39/00/78/961390078.db2.gz YUUWOZBZIPCDTH-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO COC1C[NH+](Cc2cccc3nc[nH]c32)C1 ZINC001142672934 961589777 /nfs/dbraw/zinc/58/97/77/961589777.db2.gz SDCRQNLKGACBEN-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)CCC(F)F)C1 ZINC001268343384 961637558 /nfs/dbraw/zinc/63/75/58/961637558.db2.gz PTAVZBUWEHNMLR-UHFFFAOYSA-N 1 2 246.301 1.798 20 0 BDADLO CCC(=O)Nc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001142715382 961673611 /nfs/dbraw/zinc/67/36/11/961673611.db2.gz HAVWPNZCGCTLKQ-UHFFFAOYSA-N 1 2 248.242 1.093 20 0 BDADLO COc1cc(C)ccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001142752047 961701334 /nfs/dbraw/zinc/70/13/34/961701334.db2.gz XXXYCQFRXLMNIX-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3nonc32)CCC1=O ZINC001203126588 961818200 /nfs/dbraw/zinc/81/82/00/961818200.db2.gz FVGIXDVHPJFADU-VIFPVBQESA-N 1 2 245.282 1.634 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3nonc32)CCC1=O ZINC001203126588 961818205 /nfs/dbraw/zinc/81/82/05/961818205.db2.gz FVGIXDVHPJFADU-VIFPVBQESA-N 1 2 245.282 1.634 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3nonc32)CCC1=O ZINC001203126580 961820263 /nfs/dbraw/zinc/82/02/63/961820263.db2.gz FVGIXDVHPJFADU-SECBINFHSA-N 1 2 245.282 1.634 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3nonc32)CCC1=O ZINC001203126580 961820270 /nfs/dbraw/zinc/82/02/70/961820270.db2.gz FVGIXDVHPJFADU-SECBINFHSA-N 1 2 245.282 1.634 20 0 BDADLO c1cc2nonc2c(C[NH+]2CC3(C2)CCCO3)c1 ZINC001203128849 961865752 /nfs/dbraw/zinc/86/57/52/961865752.db2.gz WLVMUOOMKAFKFC-UHFFFAOYSA-N 1 2 245.282 1.588 20 0 BDADLO CC[NH+]1CC(NC(=O)C(C)(CC)CC)C1 ZINC001268485487 961866237 /nfs/dbraw/zinc/86/62/37/961866237.db2.gz SPALEKAZLLBEAC-UHFFFAOYSA-N 1 2 212.337 1.633 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c(N)n1 ZINC001143196415 961932521 /nfs/dbraw/zinc/93/25/21/961932521.db2.gz AKIBZZRNZNDLRC-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c(N)n1 ZINC001143196415 961932528 /nfs/dbraw/zinc/93/25/28/961932528.db2.gz AKIBZZRNZNDLRC-JTQLQIEISA-N 1 2 247.342 1.773 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(OC)nc1C ZINC001150423262 962160770 /nfs/dbraw/zinc/16/07/70/962160770.db2.gz RZBNEZKNJRPKHY-NSHDSACASA-N 1 2 249.314 1.431 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(OC)nc1C ZINC001150423262 962160778 /nfs/dbraw/zinc/16/07/78/962160778.db2.gz RZBNEZKNJRPKHY-NSHDSACASA-N 1 2 249.314 1.431 20 0 BDADLO Cc1csc(C[N@H+]2CCc3nccn3CC2)n1 ZINC001204379895 962457409 /nfs/dbraw/zinc/45/74/09/962457409.db2.gz WDOGCFYKJUMDSP-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO Cc1csc(C[N@@H+]2CCc3nccn3CC2)n1 ZINC001204379895 962457431 /nfs/dbraw/zinc/45/74/31/962457431.db2.gz WDOGCFYKJUMDSP-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO CCN(Cc1nc(C)cs1)C1C[NH+](C)C1 ZINC001204380881 962471031 /nfs/dbraw/zinc/47/10/31/962471031.db2.gz OLIHSGBPFJLKEX-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO C[C@]1(O)CCN(C(=O)c2c[nH]c3cc[nH+]cc23)C1 ZINC001152971970 962506904 /nfs/dbraw/zinc/50/69/04/962506904.db2.gz NRPOKQRRFUIMNL-ZDUSSCGKSA-N 1 2 245.282 1.160 20 0 BDADLO CN(CCCNC(=O)C1CC1)c1cccc[nH+]1 ZINC001153113221 962537837 /nfs/dbraw/zinc/53/78/37/962537837.db2.gz JCLHFNXKDRMHDM-UHFFFAOYSA-N 1 2 233.315 1.434 20 0 BDADLO Nc1ccc(N[C@H]2CCSC2=O)c[nH+]1 ZINC001167955750 962789888 /nfs/dbraw/zinc/78/98/88/962789888.db2.gz OMSCSGKMLJRSLW-ZETCQYMHSA-N 1 2 209.274 1.108 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCO[C@H]1C1CC1)n1cc[nH+]c1 ZINC001154523201 962792275 /nfs/dbraw/zinc/79/22/75/962792275.db2.gz DJYPXZIVKYLLQG-WCQGTBRESA-N 1 2 249.314 1.128 20 0 BDADLO CN(C)c1cccc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC001167960570 962855747 /nfs/dbraw/zinc/85/57/47/962855747.db2.gz VBACROQZARYWIN-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CN(C)c1cccc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC001167960570 962855754 /nfs/dbraw/zinc/85/57/54/962855754.db2.gz VBACROQZARYWIN-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO COCc1cc[nH+]c(NCc2nccc(C)n2)c1 ZINC001154817195 962856245 /nfs/dbraw/zinc/85/62/45/962856245.db2.gz PBKPPPMVSGNZOE-UHFFFAOYSA-N 1 2 244.298 1.939 20 0 BDADLO Cc1c(F)cc[nH+]c1NCc1ncon1 ZINC001154896103 962888724 /nfs/dbraw/zinc/88/87/24/962888724.db2.gz INPCEUZQWKGHRI-UHFFFAOYSA-N 1 2 208.196 1.524 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1cc(C3CC3)on1)C2 ZINC001270179614 962891474 /nfs/dbraw/zinc/89/14/74/962891474.db2.gz AGMNUBSTFSTHQV-UHFFFAOYSA-N 1 2 247.298 1.082 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1cc(C3CC3)on1)C2 ZINC001270179614 962891480 /nfs/dbraw/zinc/89/14/80/962891480.db2.gz AGMNUBSTFSTHQV-UHFFFAOYSA-N 1 2 247.298 1.082 20 0 BDADLO Cc1ccsc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001270246526 962918245 /nfs/dbraw/zinc/91/82/45/962918245.db2.gz FXXGQIKOOJQKIT-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1ccsc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001270246526 962918261 /nfs/dbraw/zinc/91/82/61/962918261.db2.gz FXXGQIKOOJQKIT-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO CC[C@@H](C)Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001168000258 963216164 /nfs/dbraw/zinc/21/61/64/963216164.db2.gz SGJMKNVVXVMCKT-ZCFIWIBFSA-N 1 2 233.275 1.267 20 0 BDADLO COc1ccccc1C[N@@H+]1CCn2nccc2C1 ZINC001203438892 963277822 /nfs/dbraw/zinc/27/78/22/963277822.db2.gz SOLXVYVSNHHDIY-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO COc1ccccc1C[N@H+]1CCn2nccc2C1 ZINC001203438892 963277833 /nfs/dbraw/zinc/27/78/33/963277833.db2.gz SOLXVYVSNHHDIY-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO C=Cc1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)nc1 ZINC001156249039 963294139 /nfs/dbraw/zinc/29/41/39/963294139.db2.gz VYDWAHYXYACYKD-QWRGUYRKSA-N 1 2 247.298 1.040 20 0 BDADLO c1ccc(C[NH+]2CC(Oc3ncccn3)C2)cc1 ZINC001226768148 963340471 /nfs/dbraw/zinc/34/04/71/963340471.db2.gz LGKJBJSYINGURY-UHFFFAOYSA-N 1 2 241.294 1.740 20 0 BDADLO CNC(=S)N1CCC(n2cc[nH+]c2)CC1 ZINC001200608272 963360379 /nfs/dbraw/zinc/36/03/79/963360379.db2.gz OXGDFOSJGLBNCE-UHFFFAOYSA-N 1 2 224.333 1.024 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@]2(C)CC2(F)F)[nH+]1 ZINC001156538413 963383053 /nfs/dbraw/zinc/38/30/53/963383053.db2.gz UKJFBZORHRHXEC-JTQLQIEISA-N 1 2 243.257 1.634 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@]2(C)CC2(F)F)c[nH+]1 ZINC001156538413 963383045 /nfs/dbraw/zinc/38/30/45/963383045.db2.gz UKJFBZORHRHXEC-JTQLQIEISA-N 1 2 243.257 1.634 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001204383992 963449729 /nfs/dbraw/zinc/44/97/29/963449729.db2.gz PEUJBYUCPWQHTR-SECBINFHSA-N 1 2 247.264 1.847 20 0 BDADLO Nc1cc(CNc2ncc(C3CC3)cn2)cc[nH+]1 ZINC001156757496 963455155 /nfs/dbraw/zinc/45/51/55/963455155.db2.gz ULIJBBDYIVZXBD-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccn2ccnc2c1 ZINC001156800286 963464803 /nfs/dbraw/zinc/46/48/03/963464803.db2.gz VZDZROQAGSXBAI-UHFFFAOYSA-N 1 2 241.254 1.170 20 0 BDADLO Cc1nc2[nH]ccc2c(NC(C)(C)CCO)[nH+]1 ZINC001156905089 963491841 /nfs/dbraw/zinc/49/18/41/963491841.db2.gz FSYUZDBUIJICEU-UHFFFAOYSA-N 1 2 234.303 1.839 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2C[C@H]2C)[nH+]1 ZINC001157119971 963533971 /nfs/dbraw/zinc/53/39/71/963533971.db2.gz QDYQZZLUTGHOSP-PSASIEDQSA-N 1 2 221.304 1.805 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2C[C@H]2C)c[nH+]1 ZINC001157119971 963533982 /nfs/dbraw/zinc/53/39/82/963533982.db2.gz QDYQZZLUTGHOSP-PSASIEDQSA-N 1 2 221.304 1.805 20 0 BDADLO Cc1nocc1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157124398 963535165 /nfs/dbraw/zinc/53/51/65/963535165.db2.gz KRGSEZWRZURCHE-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1nocc1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157124398 963535169 /nfs/dbraw/zinc/53/51/69/963535169.db2.gz KRGSEZWRZURCHE-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CCN(c1cccc(Cl)[n+]1[O-])C1C[NH+](C)C1 ZINC001157455910 963614128 /nfs/dbraw/zinc/61/41/28/963614128.db2.gz XLIWYSNTTHVMRK-UHFFFAOYSA-N 1 2 241.722 1.114 20 0 BDADLO CN(C)c1cc(NCc2ccc(=O)[nH]c2)[nH+]cn1 ZINC001157510906 963639654 /nfs/dbraw/zinc/63/96/54/963639654.db2.gz ITQDXEZRDAGUBM-UHFFFAOYSA-N 1 2 245.286 1.255 20 0 BDADLO CN(C)c1cc(NCc2ccc(=O)[nH]c2)nc[nH+]1 ZINC001157510906 963639660 /nfs/dbraw/zinc/63/96/60/963639660.db2.gz ITQDXEZRDAGUBM-UHFFFAOYSA-N 1 2 245.286 1.255 20 0 BDADLO CCN(CC)c1cc(NC2CSC2)[nH+]cn1 ZINC001157576582 963665461 /nfs/dbraw/zinc/66/54/61/963665461.db2.gz KUBSDUKFUQLKML-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO CCN(CC)c1cc(NC2CSC2)nc[nH+]1 ZINC001157576582 963665467 /nfs/dbraw/zinc/66/54/67/963665467.db2.gz KUBSDUKFUQLKML-UHFFFAOYSA-N 1 2 238.360 1.850 20 0 BDADLO COc1ccc[nH+]c1NCC1CC(=O)C1 ZINC001157605571 963674352 /nfs/dbraw/zinc/67/43/52/963674352.db2.gz BMROSHDVJYMKAU-UHFFFAOYSA-N 1 2 206.245 1.481 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103297 963714777 /nfs/dbraw/zinc/71/47/77/963714777.db2.gz IDEQHGRRGNXMSB-BBBLOLIVSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)CCO1 ZINC001168103297 963714783 /nfs/dbraw/zinc/71/47/83/963714783.db2.gz IDEQHGRRGNXMSB-BBBLOLIVSA-N 1 2 235.274 1.256 20 0 BDADLO COc1ccc[nH+]c1NCCOc1cccnc1 ZINC001157811308 963734348 /nfs/dbraw/zinc/73/43/48/963734348.db2.gz ZXFZVJUGKRRVAQ-UHFFFAOYSA-N 1 2 245.282 1.976 20 0 BDADLO CC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098733483 963750186 /nfs/dbraw/zinc/75/01/86/963750186.db2.gz FLOAMFQQGWAXFC-MRVPVSSYSA-N 1 2 222.292 1.112 20 0 BDADLO CCCNc1nc2[nH]c(C(=O)OCC)cc2c[nH+]1 ZINC001168130385 963812186 /nfs/dbraw/zinc/81/21/86/963812186.db2.gz AZLMVSBKBHOSKW-UHFFFAOYSA-N 1 2 248.286 1.908 20 0 BDADLO COc1ncccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000053747424 963824299 /nfs/dbraw/zinc/82/42/99/963824299.db2.gz HGPJBGJGGKEZDU-VIFPVBQESA-N 1 2 246.270 1.486 20 0 BDADLO Cc1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2)cn1 ZINC000053801521 963835824 /nfs/dbraw/zinc/83/58/24/963835824.db2.gz APBSAUXNOLJESV-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO C[C@H](Nc1cc(N)nc[nH+]1)c1cnccn1 ZINC001158601180 963893980 /nfs/dbraw/zinc/89/39/80/963893980.db2.gz ORURNYQCGOLLHL-ZETCQYMHSA-N 1 2 216.248 1.022 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@H](C)OC ZINC001158808149 963931475 /nfs/dbraw/zinc/93/14/75/963931475.db2.gz MZLIFGALXQPLNW-VIFPVBQESA-N 1 2 210.277 1.845 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc(SC)cc[nH+]1 ZINC001158988491 963970133 /nfs/dbraw/zinc/97/01/33/963970133.db2.gz LHUZOQBSMWFFEZ-ZETCQYMHSA-N 1 2 225.317 1.350 20 0 BDADLO COC(C)(CNc1ccc(Cl)c(N)[nH+]1)OC ZINC001159382225 964072651 /nfs/dbraw/zinc/07/26/51/964072651.db2.gz FEPKRVIHLSNSJE-UHFFFAOYSA-N 1 2 245.710 1.738 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(C)c(F)c(F)c1 ZINC001143596935 964227026 /nfs/dbraw/zinc/22/70/26/964227026.db2.gz GXLZNBZJHKQSPK-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(C)c(F)c(F)c1 ZINC001143596935 964227038 /nfs/dbraw/zinc/22/70/38/964227038.db2.gz GXLZNBZJHKQSPK-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO COc1cccc(-c2noc(C[NH+]3CCC3)n2)n1 ZINC001212095624 964254305 /nfs/dbraw/zinc/25/43/05/964254305.db2.gz QQQSXUGYIZBOSE-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO Cc1cccc(-c2noc(C[NH+]3CCC3)n2)n1 ZINC001212095670 964256719 /nfs/dbraw/zinc/25/67/19/964256719.db2.gz TYICRCNSMNTLKP-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO CC(C)c1ccnc(Nc2nccnc2C[NH3+])n1 ZINC001160245856 964270810 /nfs/dbraw/zinc/27/08/10/964270810.db2.gz MYMKNEQHZUHPSN-UHFFFAOYSA-N 1 2 244.302 1.592 20 0 BDADLO CC(C)(Nc1cc(N)nc[nH+]1)c1ccncc1 ZINC001160312421 964284023 /nfs/dbraw/zinc/28/40/23/964284023.db2.gz LBSQDEPRYJSKPI-UHFFFAOYSA-N 1 2 229.287 1.801 20 0 BDADLO Cc1ncc(Cl)c(NC2C[NH+](C(C)C)C2)n1 ZINC001168311857 964411077 /nfs/dbraw/zinc/41/10/77/964411077.db2.gz QKJRSPAAXDFYBD-UHFFFAOYSA-N 1 2 240.738 1.943 20 0 BDADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccnn1C ZINC000924645360 964531663 /nfs/dbraw/zinc/53/16/63/964531663.db2.gz XIRQSPZXCAZTTN-NSHDSACASA-N 1 2 246.314 1.884 20 0 BDADLO c1ccc(N2CC(Nc3ccncn3)C2)[nH+]c1 ZINC001161319206 964570281 /nfs/dbraw/zinc/57/02/81/964570281.db2.gz KQEHBTVWVQGIDN-UHFFFAOYSA-N 1 2 227.271 1.172 20 0 BDADLO Fc1ccc(NC2CN(c3cccc[nH+]3)C2)nn1 ZINC001161320453 964571057 /nfs/dbraw/zinc/57/10/57/964571057.db2.gz GDPLRUAYPUYORY-UHFFFAOYSA-N 1 2 245.261 1.311 20 0 BDADLO CC(C)CNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001161642460 964659921 /nfs/dbraw/zinc/65/99/21/964659921.db2.gz RWNMWMKIPQBMIC-UHFFFAOYSA-N 1 2 221.260 1.480 20 0 BDADLO S=c1ccc(NCCCn2cc[nH+]c2)n[nH]1 ZINC001161682270 964685441 /nfs/dbraw/zinc/68/54/41/964685441.db2.gz OLQVKGLICLFWQW-UHFFFAOYSA-N 1 2 235.316 1.464 20 0 BDADLO COc1cc(C)c[nH+]c1NCc1nnc(C)o1 ZINC001161712323 964703178 /nfs/dbraw/zinc/70/31/78/964703178.db2.gz KZLSPEFIKVDZEU-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CC2CC[NH+]1CC2 ZINC001142626054 964712596 /nfs/dbraw/zinc/71/25/96/964712596.db2.gz CLXWOTJPXVHHPB-SNVBAGLBSA-N 1 2 221.260 1.097 20 0 BDADLO C[C@@H](C(=O)NC1(C)CCCC1)n1cc[nH+]c1 ZINC000139365831 964755083 /nfs/dbraw/zinc/75/50/83/964755083.db2.gz HBZJFEPPFBSKAJ-JTQLQIEISA-N 1 2 221.304 1.893 20 0 BDADLO NC(=O)CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001161835396 964777726 /nfs/dbraw/zinc/77/77/26/964777726.db2.gz ITYWFQDHFNORFI-UHFFFAOYSA-N 1 2 228.255 1.041 20 0 BDADLO Cn1c[nH+]c2ccc(NCCn3ccnn3)cc21 ZINC001161926868 964820354 /nfs/dbraw/zinc/82/03/54/964820354.db2.gz XTHVBTMEZRESID-UHFFFAOYSA-N 1 2 242.286 1.277 20 0 BDADLO C[Si](C)(C)c1ccc[nH+]c1NCC1COC1 ZINC001161945568 964822582 /nfs/dbraw/zinc/82/25/82/964822582.db2.gz FSBDPCOBCWNZNG-UHFFFAOYSA-N 1 2 236.391 1.685 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1cc(C)cc(C)n1 ZINC001161945473 964830781 /nfs/dbraw/zinc/83/07/81/964830781.db2.gz KFOVNKKZSNBLJC-SNVBAGLBSA-N 1 2 237.303 1.001 20 0 BDADLO CS(=O)(=O)CCNc1ccc(C2CC2)c[nH+]1 ZINC001162324215 964927432 /nfs/dbraw/zinc/92/74/32/964927432.db2.gz VYPYVBWSNSCJKB-UHFFFAOYSA-N 1 2 240.328 1.416 20 0 BDADLO COc1c[nH+]c(N[C@@H]2CCOC[C@@H]2F)c(C)c1 ZINC001162344088 964940507 /nfs/dbraw/zinc/94/05/07/964940507.db2.gz GAEKTFOSNNLGPB-WDEREUQCSA-N 1 2 240.278 1.938 20 0 BDADLO c1cc2c[nH+]c(NCCN3CCCCO3)nc2[nH]1 ZINC001162420956 964974698 /nfs/dbraw/zinc/97/46/98/964974698.db2.gz ZOJDVMYQFSUWIN-UHFFFAOYSA-N 1 2 247.302 1.349 20 0 BDADLO C[C@@H](F)CC[NH+]1CC(N(C)C(=O)C(F)F)C1 ZINC001042393374 965002391 /nfs/dbraw/zinc/00/23/91/965002391.db2.gz ASQWIJWJZLETIR-SSDOTTSWSA-N 1 2 238.253 1.142 20 0 BDADLO CC(C)Oc1cc(NC2(C(N)=O)CC2)cc[nH+]1 ZINC001162548266 965041314 /nfs/dbraw/zinc/04/13/14/965041314.db2.gz UBUUVOPSHXEHSS-UHFFFAOYSA-N 1 2 235.287 1.299 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1cc2c(nn1)OCCO2 ZINC001162657868 965095420 /nfs/dbraw/zinc/09/54/20/965095420.db2.gz RYJVXHNYYUQFKV-UHFFFAOYSA-N 1 2 236.275 1.683 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2cncnc2C2CC2)C1 ZINC001162690358 965123859 /nfs/dbraw/zinc/12/38/59/965123859.db2.gz VREWBQJHPOATJA-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2cncnc2C2CC2)C1 ZINC001162690358 965123864 /nfs/dbraw/zinc/12/38/64/965123864.db2.gz VREWBQJHPOATJA-LLVKDONJSA-N 1 2 248.330 1.097 20 0 BDADLO CC[C@H](CO)Nc1[nH+]cc(C)cc1OC ZINC001163044943 965240955 /nfs/dbraw/zinc/24/09/55/965240955.db2.gz KSWSABDDYOSFBG-SECBINFHSA-N 1 2 210.277 1.581 20 0 BDADLO COCC[N@H+](C)Cc1cc(Cl)cnc1F ZINC001231992613 965294238 /nfs/dbraw/zinc/29/42/38/965294238.db2.gz NVXMBPUKMVFTQX-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COCC[N@@H+](C)Cc1cc(Cl)cnc1F ZINC001231992613 965294251 /nfs/dbraw/zinc/29/42/51/965294251.db2.gz NVXMBPUKMVFTQX-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccno1 ZINC001163207267 965298325 /nfs/dbraw/zinc/29/83/25/965298325.db2.gz JNZPGQWCCAMJQC-QMMMGPOBSA-N 1 2 233.275 1.704 20 0 BDADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccno1 ZINC001163207267 965298333 /nfs/dbraw/zinc/29/83/33/965298333.db2.gz JNZPGQWCCAMJQC-QMMMGPOBSA-N 1 2 233.275 1.704 20 0 BDADLO CC(=O)[C@@H]1CCCN1Cc1c[nH+]c(C)[nH]1 ZINC001232468031 965361785 /nfs/dbraw/zinc/36/17/85/965361785.db2.gz KFBZBTUZXCNYGZ-NSHDSACASA-N 1 2 207.277 1.272 20 0 BDADLO CC(=O)[C@@H]1CCCN1Cc1c[nH]c(C)[nH+]1 ZINC001232468031 965361801 /nfs/dbraw/zinc/36/18/01/965361801.db2.gz KFBZBTUZXCNYGZ-NSHDSACASA-N 1 2 207.277 1.272 20 0 BDADLO COc1cccc(N(C(N)=[NH2+])c2cc(C)[nH]n2)n1 ZINC001163507893 965422753 /nfs/dbraw/zinc/42/27/53/965422753.db2.gz FGDJAXQHRMRYOH-UHFFFAOYSA-N 1 2 246.274 1.153 20 0 BDADLO COc1cccc(N(C(N)=[NH2+])c2cc(C)n[nH]2)n1 ZINC001163507893 965422758 /nfs/dbraw/zinc/42/27/58/965422758.db2.gz FGDJAXQHRMRYOH-UHFFFAOYSA-N 1 2 246.274 1.153 20 0 BDADLO O=C1NC(=O)[C@@H](Nc2c[nH+]cc3cc[nH]c32)S1 ZINC001163667423 965498112 /nfs/dbraw/zinc/49/81/12/965498112.db2.gz SWTSXPXFYZEPJA-VIFPVBQESA-N 1 2 248.267 1.284 20 0 BDADLO O=C1NC(=O)[C@H](Nc2cccn3c[nH+]cc23)S1 ZINC001163672599 965499477 /nfs/dbraw/zinc/49/94/77/965499477.db2.gz OFKROPXIYKDQFO-SECBINFHSA-N 1 2 248.267 1.055 20 0 BDADLO Cc1nc(N2CCCO[C@H](C)C2)c2c([nH+]1)CCC2 ZINC001163962715 965662800 /nfs/dbraw/zinc/66/28/00/965662800.db2.gz NAXCZCWAWARTBH-SNVBAGLBSA-N 1 2 247.342 1.889 20 0 BDADLO O=S1(=O)C=C[C@@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001164011861 965692249 /nfs/dbraw/zinc/69/22/49/965692249.db2.gz BZDBYWOSNSPWKG-SNVBAGLBSA-N 1 2 249.295 1.057 20 0 BDADLO CC(C)(C)C(=O)C[NH2+]c1ccc2[nH]c(=O)cc-2[nH]1 ZINC001164005830 965692364 /nfs/dbraw/zinc/69/23/64/965692364.db2.gz VTBCJZCFYDDUJI-UHFFFAOYSA-N 1 2 247.298 1.603 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@H](F)C[C@@H](CO)C1 ZINC001164043469 965714385 /nfs/dbraw/zinc/71/43/85/965714385.db2.gz MQIGLOBXJSSGOP-NXEZZACHSA-N 1 2 242.269 1.686 20 0 BDADLO C[C@H]1CCN(c2cc(N)nc[nH+]2)CCC1(F)F ZINC001164115642 965737793 /nfs/dbraw/zinc/73/77/93/965737793.db2.gz UBEAUADFBDJUEU-QMMMGPOBSA-N 1 2 242.273 1.930 20 0 BDADLO Cc1nc(N2CC[C@@](C)(CO)C2)c2c([nH+]1)CCC2 ZINC001164147543 965760126 /nfs/dbraw/zinc/76/01/26/965760126.db2.gz VHOCNCJZWXWIDY-CQSZACIVSA-N 1 2 247.342 1.482 20 0 BDADLO CC(C)(C)c1ccc(N2CCCNC(=O)C2)[nH+]c1 ZINC001164284434 965829018 /nfs/dbraw/zinc/82/90/18/965829018.db2.gz YSKKZGXDIHABSL-UHFFFAOYSA-N 1 2 247.342 1.705 20 0 BDADLO Cc1nsc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)n1 ZINC001164288642 965830707 /nfs/dbraw/zinc/83/07/07/965830707.db2.gz UGNHFOQRFZESCW-IUCAKERBSA-N 1 2 242.323 1.079 20 0 BDADLO Cc1nsc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)n1 ZINC001164288642 965830709 /nfs/dbraw/zinc/83/07/09/965830709.db2.gz UGNHFOQRFZESCW-IUCAKERBSA-N 1 2 242.323 1.079 20 0 BDADLO CCOC(=[NH2+])c1ccc(O[C@@H]2COC(=O)C2)cc1 ZINC001234584601 965849229 /nfs/dbraw/zinc/84/92/29/965849229.db2.gz GGRXAYYGSQACOD-NSHDSACASA-N 1 2 249.266 1.743 20 0 BDADLO C[C@H]1CCN(c2ccc(N)c[nH+]2)CCC1=O ZINC001164364136 965862894 /nfs/dbraw/zinc/86/28/94/965862894.db2.gz AREBZYIJVTUQHQ-VIFPVBQESA-N 1 2 219.288 1.469 20 0 BDADLO Fc1c[nH+]ccc1NCCn1cccc1 ZINC001164452292 965888037 /nfs/dbraw/zinc/88/80/37/965888037.db2.gz FHBJBUUEMRBWRC-UHFFFAOYSA-N 1 2 205.236 1.556 20 0 BDADLO CCc1cc(N2CC[NH2+]CC(F)(F)C2)ncn1 ZINC001164498604 965895291 /nfs/dbraw/zinc/89/52/91/965895291.db2.gz VNBAELYOSPJSMP-UHFFFAOYSA-N 1 2 242.273 1.084 20 0 BDADLO COC(=[NH2+])c1cccc(NCC(=O)OC)c1 ZINC001164566372 965918106 /nfs/dbraw/zinc/91/81/06/965918106.db2.gz QXBNEZDKCUOXDD-UHFFFAOYSA-N 1 2 222.244 1.243 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)OC ZINC000699576345 965994068 /nfs/dbraw/zinc/99/40/68/965994068.db2.gz WROJEBZQSQLOPF-GARJFASQSA-N 1 2 229.320 1.343 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@@H]2COC[C@@H]2C1 ZINC001165268330 966017840 /nfs/dbraw/zinc/01/78/40/966017840.db2.gz UUJGJRJTXUDMJK-NEPJUHHUSA-N 1 2 248.326 1.871 20 0 BDADLO CCc1cc(C[N@@H+]2CC[C@@]23CCOC3)on1 ZINC001203227888 966148796 /nfs/dbraw/zinc/14/87/96/966148796.db2.gz KEUMJWFSTUVXAU-LBPRGKRZSA-N 1 2 222.288 1.602 20 0 BDADLO CCc1cc(C[N@H+]2CC[C@@]23CCOC3)on1 ZINC001203227888 966148801 /nfs/dbraw/zinc/14/88/01/966148801.db2.gz KEUMJWFSTUVXAU-LBPRGKRZSA-N 1 2 222.288 1.602 20 0 BDADLO COc1cncc(C[NH2+]Cc2cn(C)cn2)c1 ZINC000699850731 966149066 /nfs/dbraw/zinc/14/90/66/966149066.db2.gz OEGZKWVNBUBRRT-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2CCN(C)C2=O)c1C ZINC001166686616 966362082 /nfs/dbraw/zinc/36/20/82/966362082.db2.gz UBFNUWULVCRJJV-JTQLQIEISA-N 1 2 219.288 1.341 20 0 BDADLO CCN(c1[nH+]ccc(F)c1C)C1COC1 ZINC001166941973 966462605 /nfs/dbraw/zinc/46/26/05/966462605.db2.gz FFPROSMUIMCLNA-UHFFFAOYSA-N 1 2 210.252 1.754 20 0 BDADLO Cc1nc(N2CC[C@@H](O)C[C@H]2C)c(C)c(C)[nH+]1 ZINC001166963726 966489388 /nfs/dbraw/zinc/48/93/88/966489388.db2.gz MMAKCMDSZIHGHM-PRHODGIISA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@H]1C(=O)N(C)CCN1c1cccc(C2CC2)[nH+]1 ZINC001167041387 966528884 /nfs/dbraw/zinc/52/88/84/966528884.db2.gz UTCILPFFBHOXFG-SNVBAGLBSA-N 1 2 245.326 1.626 20 0 BDADLO COc1ccc(CC[N@H+](C)Cc2cnn[nH]2)cc1 ZINC001203206706 966547393 /nfs/dbraw/zinc/54/73/93/966547393.db2.gz WFELJWWJFUIFQO-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccc(CC[N@@H+](C)Cc2cnn[nH]2)cc1 ZINC001203206706 966547404 /nfs/dbraw/zinc/54/74/04/966547404.db2.gz WFELJWWJFUIFQO-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccc(CC[N@H+](C)Cc2c[nH]nn2)cc1 ZINC001203206706 966547410 /nfs/dbraw/zinc/54/74/10/966547410.db2.gz WFELJWWJFUIFQO-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccc(CC[N@@H+](C)Cc2c[nH]nn2)cc1 ZINC001203206706 966547414 /nfs/dbraw/zinc/54/74/14/966547414.db2.gz WFELJWWJFUIFQO-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203206951 966549327 /nfs/dbraw/zinc/54/93/27/966549327.db2.gz ZIUYSYMHNVAXTR-CYBMUJFWSA-N 1 2 243.314 1.407 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203206951 966549329 /nfs/dbraw/zinc/54/93/29/966549329.db2.gz ZIUYSYMHNVAXTR-CYBMUJFWSA-N 1 2 243.314 1.407 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203206951 966549331 /nfs/dbraw/zinc/54/93/31/966549331.db2.gz ZIUYSYMHNVAXTR-CYBMUJFWSA-N 1 2 243.314 1.407 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203206951 966549340 /nfs/dbraw/zinc/54/93/40/966549340.db2.gz ZIUYSYMHNVAXTR-CYBMUJFWSA-N 1 2 243.314 1.407 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203206951 966549352 /nfs/dbraw/zinc/54/93/52/966549352.db2.gz ZIUYSYMHNVAXTR-CYBMUJFWSA-N 1 2 243.314 1.407 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001203206951 966549366 /nfs/dbraw/zinc/54/93/66/966549366.db2.gz ZIUYSYMHNVAXTR-CYBMUJFWSA-N 1 2 243.314 1.407 20 0 BDADLO FC1CC2(C1)CCC[N@H+](Cc1cnn[nH]1)CC2 ZINC001203206517 966553110 /nfs/dbraw/zinc/55/31/10/966553110.db2.gz BRIJQMSXWFJBJH-UHFFFAOYSA-N 1 2 238.310 1.909 20 0 BDADLO FC1CC2(C1)CCC[N@@H+](Cc1cnn[nH]1)CC2 ZINC001203206517 966553120 /nfs/dbraw/zinc/55/31/20/966553120.db2.gz BRIJQMSXWFJBJH-UHFFFAOYSA-N 1 2 238.310 1.909 20 0 BDADLO Cc1ccc(Nc2cnc(C(N)=O)nc2)c(C)[nH+]1 ZINC001203370834 966620267 /nfs/dbraw/zinc/62/02/67/966620267.db2.gz WEJMCDNBQHBKEM-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO CNc1ccc(N(C)c2ncccc2N)c[nH+]1 ZINC001203446602 966647957 /nfs/dbraw/zinc/64/79/57/966647957.db2.gz FPLPBYSWYFYHIC-UHFFFAOYSA-N 1 2 229.287 1.868 20 0 BDADLO CNc1ccc(Nc2cncc(OC)n2)c[nH+]1 ZINC001203449084 966649958 /nfs/dbraw/zinc/64/99/58/966649958.db2.gz ZADARFJASTVCEO-UHFFFAOYSA-N 1 2 231.259 1.666 20 0 BDADLO CNc1ccc(Nc2cnc3cnccn32)c[nH+]1 ZINC001203453256 966655951 /nfs/dbraw/zinc/65/59/51/966655951.db2.gz ZPQLSYGFSYEOJL-UHFFFAOYSA-N 1 2 240.270 1.910 20 0 BDADLO CCn1cncc1C[N@@H+]1CCc2cnn(C)c2C1 ZINC001237596204 966671107 /nfs/dbraw/zinc/67/11/07/966671107.db2.gz VIVNHNJFJYGYFK-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1cncc1C[N@H+]1CCc2cnn(C)c2C1 ZINC001237596204 966671116 /nfs/dbraw/zinc/67/11/16/966671116.db2.gz VIVNHNJFJYGYFK-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2nnc[nH]2)CC1 ZINC001237602874 966677062 /nfs/dbraw/zinc/67/70/62/966677062.db2.gz ZYPSTPVOCDHJBE-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001237602874 966677068 /nfs/dbraw/zinc/67/70/68/966677068.db2.gz ZYPSTPVOCDHJBE-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC001237648326 966679499 /nfs/dbraw/zinc/67/94/99/966679499.db2.gz GFYXUDQGKXRKNN-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC001237648326 966679516 /nfs/dbraw/zinc/67/95/16/966679516.db2.gz GFYXUDQGKXRKNN-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(NC/C=C/CNC(=O)C2CC2)cc[nH+]1 ZINC001107003634 966715997 /nfs/dbraw/zinc/71/59/97/966715997.db2.gz VDFIGPKPQIRCSX-NSCUHMNNSA-N 1 2 246.314 1.279 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001203818130 966788144 /nfs/dbraw/zinc/78/81/44/966788144.db2.gz SKQYIYOIKQJTGT-NWDGAFQWSA-N 1 2 225.263 1.210 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001203818130 966788151 /nfs/dbraw/zinc/78/81/51/966788151.db2.gz SKQYIYOIKQJTGT-NWDGAFQWSA-N 1 2 225.263 1.210 20 0 BDADLO COc1cccc(F)c1C[NH2+]Cc1ccnn1C ZINC001203856939 966800421 /nfs/dbraw/zinc/80/04/21/966800421.db2.gz QUDZUWMECVQOST-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO COc1ccc(C[N@H+](C)C2COC2)cc1O ZINC001203869914 966801987 /nfs/dbraw/zinc/80/19/87/966801987.db2.gz NTEUYASLUFUNQK-UHFFFAOYSA-N 1 2 223.272 1.231 20 0 BDADLO COc1ccc(C[N@@H+](C)C2COC2)cc1O ZINC001203869914 966801993 /nfs/dbraw/zinc/80/19/93/966801993.db2.gz NTEUYASLUFUNQK-UHFFFAOYSA-N 1 2 223.272 1.231 20 0 BDADLO Cc1nc(NC[C@@H](C)NC(=O)C(C)C)cc[nH+]1 ZINC001107649761 966814031 /nfs/dbraw/zinc/81/40/31/966814031.db2.gz LXLOUQFYNCKDNF-SECBINFHSA-N 1 2 236.319 1.358 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001203976519 966836619 /nfs/dbraw/zinc/83/66/19/966836619.db2.gz AEIUFKUWVGMYND-WDEREUQCSA-N 1 2 221.304 1.411 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001203976519 966836620 /nfs/dbraw/zinc/83/66/20/966836620.db2.gz AEIUFKUWVGMYND-WDEREUQCSA-N 1 2 221.304 1.411 20 0 BDADLO COc1cc2c(cn1)CC[N@H+](Cc1ncc[nH]1)C2 ZINC001203980288 966838067 /nfs/dbraw/zinc/83/80/67/966838067.db2.gz PGBXYXRERAUHFX-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cc2c(cn1)CC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203980288 966838072 /nfs/dbraw/zinc/83/80/72/966838072.db2.gz PGBXYXRERAUHFX-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc[nH]2)CC[C@@H]1F ZINC001204006962 966843813 /nfs/dbraw/zinc/84/38/13/966843813.db2.gz MTBJSJLVZORVRZ-JTQLQIEISA-N 1 2 210.252 1.518 20 0 BDADLO O=C1CC[N@H+](Cc2ccc[nH]2)CC[C@@H]1F ZINC001204006962 966843816 /nfs/dbraw/zinc/84/38/16/966843816.db2.gz MTBJSJLVZORVRZ-JTQLQIEISA-N 1 2 210.252 1.518 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(C)n2)C[C@@H]1C ZINC001204070913 966878695 /nfs/dbraw/zinc/87/86/95/966878695.db2.gz TTXJWEPPQGEEAS-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)C[C@@H]1C ZINC001204070913 966878698 /nfs/dbraw/zinc/87/86/98/966878698.db2.gz TTXJWEPPQGEEAS-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cccnc2)C[C@@H]1F ZINC001204072465 966879057 /nfs/dbraw/zinc/87/90/57/966879057.db2.gz GTIXEOLFGYIFTH-NWDGAFQWSA-N 1 2 224.279 1.376 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cccnc2)C[C@@H]1F ZINC001204072465 966879060 /nfs/dbraw/zinc/87/90/60/966879060.db2.gz GTIXEOLFGYIFTH-NWDGAFQWSA-N 1 2 224.279 1.376 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccncc2)C1 ZINC001204080817 966885631 /nfs/dbraw/zinc/88/56/31/966885631.db2.gz WQVONQXEAHIONV-UHFFFAOYSA-N 1 2 220.272 1.077 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccncc2)C[C@@H]1F ZINC001204080525 966886760 /nfs/dbraw/zinc/88/67/60/966886760.db2.gz POKWCDUBOKDBSQ-NWDGAFQWSA-N 1 2 224.279 1.376 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2)C[C@@H]1F ZINC001204080525 966886763 /nfs/dbraw/zinc/88/67/63/966886763.db2.gz POKWCDUBOKDBSQ-NWDGAFQWSA-N 1 2 224.279 1.376 20 0 BDADLO CCc1ccc(C[NH+]2CCN(C#N)CC2)cc1 ZINC001204179467 966920025 /nfs/dbraw/zinc/92/00/25/966920025.db2.gz RLANXMUIHLHKPP-UHFFFAOYSA-N 1 2 229.327 1.848 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@@H]1F ZINC001204193410 966921300 /nfs/dbraw/zinc/92/13/00/966921300.db2.gz IWBSDZJMHAQBOO-ONGXEEELSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@@H]1F ZINC001204193410 966921307 /nfs/dbraw/zinc/92/13/07/966921307.db2.gz IWBSDZJMHAQBOO-ONGXEEELSA-N 1 2 245.244 1.870 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001204227558 966932876 /nfs/dbraw/zinc/93/28/76/966932876.db2.gz KSZBINPHLDEXST-UHFFFAOYSA-N 1 2 213.227 1.986 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001204227558 966932882 /nfs/dbraw/zinc/93/28/82/966932882.db2.gz KSZBINPHLDEXST-UHFFFAOYSA-N 1 2 213.227 1.986 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccoc1 ZINC001204241918 966936619 /nfs/dbraw/zinc/93/66/19/966936619.db2.gz LSGQSVVIRJPVBI-XQQFMLRXSA-N 1 2 237.299 1.251 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccoc1 ZINC001204241918 966936628 /nfs/dbraw/zinc/93/66/28/966936628.db2.gz LSGQSVVIRJPVBI-XQQFMLRXSA-N 1 2 237.299 1.251 20 0 BDADLO Cn1ncc2c1C[N@H+](Cc1ccoc1)CC2 ZINC001204243625 966944656 /nfs/dbraw/zinc/94/46/56/966944656.db2.gz BJWZXEWQOLMOKX-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1ncc2c1C[N@@H+](Cc1ccoc1)CC2 ZINC001204243625 966944663 /nfs/dbraw/zinc/94/46/63/966944663.db2.gz BJWZXEWQOLMOKX-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cc(C)on1 ZINC001204441711 966994651 /nfs/dbraw/zinc/99/46/51/966994651.db2.gz RAYDMOIYNGOTJG-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO Cc1c(F)cccc1C[NH+]1CCN(C)CC1 ZINC001204507152 967009644 /nfs/dbraw/zinc/00/96/44/967009644.db2.gz TWHKBZAMOPLWMG-UHFFFAOYSA-N 1 2 222.307 1.882 20 0 BDADLO c1csc(C[NH+]2CCC(n3cnnc3)CC2)n1 ZINC001204548607 967050408 /nfs/dbraw/zinc/05/04/08/967050408.db2.gz SRYRWRAQZGITGA-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO Cc1c(C[N@@H+]2CCC(=O)C(C)(C)C2)cnn1C ZINC001204572351 967063326 /nfs/dbraw/zinc/06/33/26/967063326.db2.gz JBLIMXNWPMHJSR-UHFFFAOYSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1c(C[N@H+]2CCC(=O)C(C)(C)C2)cnn1C ZINC001204572351 967063336 /nfs/dbraw/zinc/06/33/36/967063336.db2.gz JBLIMXNWPMHJSR-UHFFFAOYSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1cc(Nc2ccn[nH]c2=O)c[nH+]c1N ZINC001249785640 967064673 /nfs/dbraw/zinc/06/46/73/967064673.db2.gz YQNDOCQFSCJMOU-UHFFFAOYSA-N 1 2 217.232 1.211 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001204587543 967071227 /nfs/dbraw/zinc/07/12/27/967071227.db2.gz FICFJEUDGFSBFL-GHMZBOCLSA-N 1 2 229.274 1.990 20 0 BDADLO Cc1[nH+]c[nH]c1CN1C[C@@H](F)[C@@H](F)C1 ZINC001204588243 967079383 /nfs/dbraw/zinc/07/93/83/967079383.db2.gz WNMOIKMBMKAWDM-OCAPTIKFSA-N 1 2 201.220 1.210 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCCC(=O)[C@@H](F)C1 ZINC001204588009 967083308 /nfs/dbraw/zinc/08/33/08/967083308.db2.gz RPFVQNSPDAHKQX-VIFPVBQESA-N 1 2 225.267 1.221 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCc2c(O)cccc2C1 ZINC001204588184 967083858 /nfs/dbraw/zinc/08/38/58/967083858.db2.gz UXJBLXNOOCBVNM-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCc2c(O)cccc2C1 ZINC001204588184 967083874 /nfs/dbraw/zinc/08/38/74/967083874.db2.gz UXJBLXNOOCBVNM-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO COC(=O)c1cccc(C[N@H+](C)CC(C)=O)c1 ZINC001204642086 967117630 /nfs/dbraw/zinc/11/76/30/967117630.db2.gz HJFSBIBBRYYZNH-UHFFFAOYSA-N 1 2 235.283 1.494 20 0 BDADLO COC(=O)c1cccc(C[N@@H+](C)CC(C)=O)c1 ZINC001204642086 967117636 /nfs/dbraw/zinc/11/76/36/967117636.db2.gz HJFSBIBBRYYZNH-UHFFFAOYSA-N 1 2 235.283 1.494 20 0 BDADLO Nc1cc(C2CC2)nn1-c1ccn2cc[nH+]c2c1 ZINC001204950936 967248420 /nfs/dbraw/zinc/24/84/20/967248420.db2.gz IKLRYXNLAMONGE-UHFFFAOYSA-N 1 2 239.282 1.980 20 0 BDADLO Nc1ccc(-c2ccc3nonc3c2)c[nH+]1 ZINC001204945406 967250686 /nfs/dbraw/zinc/25/06/86/967250686.db2.gz KLWXLDDBAFMFDR-UHFFFAOYSA-N 1 2 212.212 1.867 20 0 BDADLO CNc1ccc(Nc2cncc(C)n2)c[nH+]1 ZINC001203446991 967265404 /nfs/dbraw/zinc/26/54/04/967265404.db2.gz ILCRDBCEMZWBPC-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)no1 ZINC001331741033 967269804 /nfs/dbraw/zinc/26/98/04/967269804.db2.gz GSAKFNPJEXRMLB-RKDXNWHRSA-N 1 2 247.302 1.450 20 0 BDADLO CN(C)c1cc(N)n(-c2ccn3cc[nH+]c3c2)n1 ZINC001204971397 967270382 /nfs/dbraw/zinc/27/03/82/967270382.db2.gz LMZIZXNLWFLKAK-UHFFFAOYSA-N 1 2 242.286 1.168 20 0 BDADLO COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1N ZINC001205076771 967326373 /nfs/dbraw/zinc/32/63/73/967326373.db2.gz VSMVBFBLVJATJU-JQWIXIFHSA-N 1 2 249.358 1.589 20 0 BDADLO COCc1nccnc1-c1ccc2[nH+]ccn2c1 ZINC001240213979 967425656 /nfs/dbraw/zinc/42/56/56/967425656.db2.gz IMVNOZWAOKYJEJ-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO O=c1occcc1-c1ccc2[nH+]ccn2c1 ZINC001240218828 967429707 /nfs/dbraw/zinc/42/97/07/967429707.db2.gz KYPVWAONGGCIKE-UHFFFAOYSA-N 1 2 212.208 1.955 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(O)cc1 ZINC000084881888 967618851 /nfs/dbraw/zinc/61/88/51/967618851.db2.gz KHNNMUBUVUNUPY-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(O)cc1 ZINC000084881888 967618862 /nfs/dbraw/zinc/61/88/62/967618862.db2.gz KHNNMUBUVUNUPY-UHFFFAOYSA-N 1 2 223.272 1.387 20 0 BDADLO OCCCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001205539268 967682452 /nfs/dbraw/zinc/68/24/52/967682452.db2.gz VNMHXTGJKKVXKB-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO OCCCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001205539268 967682462 /nfs/dbraw/zinc/68/24/62/967682462.db2.gz VNMHXTGJKKVXKB-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO OCc1c(F)cc(CCn2cc[nH+]c2)cc1F ZINC001250320523 967695984 /nfs/dbraw/zinc/69/59/84/967695984.db2.gz NWVYACLDMNBUQB-UHFFFAOYSA-N 1 2 238.237 1.896 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)ccc1CO ZINC001250320420 967696936 /nfs/dbraw/zinc/69/69/36/967696936.db2.gz KYZDRZQASZTGPZ-UHFFFAOYSA-N 1 2 232.283 1.627 20 0 BDADLO Cn1ncc2cc(CCn3cc[nH+]c3)cnc21 ZINC001250321195 967699229 /nfs/dbraw/zinc/69/92/29/967699229.db2.gz XKUFJUZXTRQVLK-UHFFFAOYSA-N 1 2 227.271 1.408 20 0 BDADLO COCc1nc(Cc2c[nH+]cc(C)c2C)no1 ZINC001250371686 967782721 /nfs/dbraw/zinc/78/27/21/967782721.db2.gz WPZAERVAUDIRCI-UHFFFAOYSA-N 1 2 233.271 1.819 20 0 BDADLO Cc1ccnc(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000701283983 967809363 /nfs/dbraw/zinc/80/93/63/967809363.db2.gz MKTDIBWYCKCPCU-UHFFFAOYSA-N 1 2 231.303 1.829 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ncccc2C)C1 ZINC001205799688 967824105 /nfs/dbraw/zinc/82/41/05/967824105.db2.gz FARDFDGMAQFWAA-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO COc1cc[nH+]cc1Cc1cc(C)nn1C ZINC001250417454 967824372 /nfs/dbraw/zinc/82/43/72/967824372.db2.gz FZBVHUZKJSMBER-UHFFFAOYSA-N 1 2 217.272 1.723 20 0 BDADLO O=C1COc2cc3[nH+]c(C4CC4)[nH]c3cc2N1 ZINC001250427887 967845258 /nfs/dbraw/zinc/84/52/58/967845258.db2.gz OQBSUWCACWJQER-UHFFFAOYSA-N 1 2 229.239 1.771 20 0 BDADLO CNc1ccc(C)cc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC001205916575 967883016 /nfs/dbraw/zinc/88/30/16/967883016.db2.gz CWEDLOFIWROVNI-LLVKDONJSA-N 1 2 247.342 1.357 20 0 BDADLO CNc1ccc(C)cc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC001205916575 967883018 /nfs/dbraw/zinc/88/30/18/967883018.db2.gz CWEDLOFIWROVNI-LLVKDONJSA-N 1 2 247.342 1.357 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3OCC[C@H]32)co1 ZINC001206050347 968014253 /nfs/dbraw/zinc/01/42/53/968014253.db2.gz WZHKCXIHZKBCDD-GHMZBOCLSA-N 1 2 208.261 1.346 20 0 BDADLO CNc1ccc(Nc2nccnc2C)c[nH+]1 ZINC001203449005 968108234 /nfs/dbraw/zinc/10/82/34/968108234.db2.gz VHZRHYPGYUCJDK-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO OC1CC2(C1)CN(c1cccc(C3CC3)[nH+]1)C2 ZINC001163742853 968116127 /nfs/dbraw/zinc/11/61/27/968116127.db2.gz IBFPREQXPXPPDI-UHFFFAOYSA-N 1 2 230.311 1.920 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001206190868 968119490 /nfs/dbraw/zinc/11/94/90/968119490.db2.gz CCTROMJAQHUULC-OPRDCNLKSA-N 1 2 248.367 1.144 20 0 BDADLO COc1c(N)[nH+]cnc1NC/C=C/C1CC1 ZINC001118335589 968121580 /nfs/dbraw/zinc/12/15/80/968121580.db2.gz OGJYKKFEBUORHX-NSCUHMNNSA-N 1 2 220.276 1.446 20 0 BDADLO COc1c(N)nc[nH+]c1NC/C=C/C1CC1 ZINC001118335589 968121595 /nfs/dbraw/zinc/12/15/95/968121595.db2.gz OGJYKKFEBUORHX-NSCUHMNNSA-N 1 2 220.276 1.446 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cnn(C)c1 ZINC001118427980 968150195 /nfs/dbraw/zinc/15/01/95/968150195.db2.gz PFTDWCBOSBROBH-QXEWZRGKSA-N 1 2 246.318 1.368 20 0 BDADLO CC[NH+]1CC(O[C@H](C)C(=O)OC(C)(C)C)C1 ZINC001206241060 968160375 /nfs/dbraw/zinc/16/03/75/968160375.db2.gz CMAUTSDEDVIYCF-SECBINFHSA-N 1 2 229.320 1.437 20 0 BDADLO Nc1ccc[nH+]c1N1CCCC(=O)[C@@H](F)C1 ZINC001164132140 968175306 /nfs/dbraw/zinc/17/53/06/968175306.db2.gz BCZVPKOUCPIXHP-QMMMGPOBSA-N 1 2 223.251 1.171 20 0 BDADLO C[C@H]1C[C@@H](CF)N(c2cc(N)nc[nH+]2)C1 ZINC001164259668 968203254 /nfs/dbraw/zinc/20/32/54/968203254.db2.gz CEXKOXFERPATOK-YUMQZZPRSA-N 1 2 210.256 1.243 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C)c2C)C[NH2+]1 ZINC001164302619 968218421 /nfs/dbraw/zinc/21/84/21/968218421.db2.gz ZJGKZRJEWGQCRM-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC001250973361 968233822 /nfs/dbraw/zinc/23/38/22/968233822.db2.gz WQEZOEABLDVJSX-IUCAKERBSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC001250973361 968233828 /nfs/dbraw/zinc/23/38/28/968233828.db2.gz WQEZOEABLDVJSX-IUCAKERBSA-N 1 2 241.253 1.266 20 0 BDADLO FC1(F)C[NH2+]CCN(c2ccc(Cl)nn2)C1 ZINC001164488916 968236785 /nfs/dbraw/zinc/23/67/85/968236785.db2.gz QTUYSIHGERRSRW-UHFFFAOYSA-N 1 2 248.664 1.175 20 0 BDADLO C[C@H]1CCCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001251744493 968306392 /nfs/dbraw/zinc/30/63/92/968306392.db2.gz OJIWMNXODJJCIP-JTQLQIEISA-N 1 2 236.319 1.157 20 0 BDADLO COc1ncccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001206554040 968380558 /nfs/dbraw/zinc/38/05/58/968380558.db2.gz PACWMJNOFZFFPK-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO Cc1cccn2cc(CC(=O)NC3(C)CC3)[nH+]c12 ZINC001251938717 968388083 /nfs/dbraw/zinc/38/80/83/968388083.db2.gz YWCYJVMOFPNQTH-UHFFFAOYSA-N 1 2 243.310 1.854 20 0 BDADLO CCCOC1C[NH+](C[C@H](O)c2ccccc2)C1 ZINC001251989301 968426753 /nfs/dbraw/zinc/42/67/53/968426753.db2.gz VDGNAYHQZVOFNO-AWEZNQCLSA-N 1 2 235.327 1.831 20 0 BDADLO COc1ccc(-c2nnc(C[NH+]3CCC3)o2)cc1 ZINC001252000868 968432352 /nfs/dbraw/zinc/43/23/52/968432352.db2.gz JHWXRUMRRVQACL-UHFFFAOYSA-N 1 2 245.282 1.951 20 0 BDADLO CCOC[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252021210 968445392 /nfs/dbraw/zinc/44/53/92/968445392.db2.gz LOGXGYRVLJHPHC-NSHDSACASA-N 1 2 235.287 1.144 20 0 BDADLO CCCC[C@H](O)C[N@H+](C)CC(=O)OCC ZINC001252085195 968509566 /nfs/dbraw/zinc/50/95/66/968509566.db2.gz FJLFCLBCRHKBLB-JTQLQIEISA-N 1 2 217.309 1.032 20 0 BDADLO CCCC[C@H](O)C[N@@H+](C)CC(=O)OCC ZINC001252085195 968509569 /nfs/dbraw/zinc/50/95/69/968509569.db2.gz FJLFCLBCRHKBLB-JTQLQIEISA-N 1 2 217.309 1.032 20 0 BDADLO OCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000086117023 968510444 /nfs/dbraw/zinc/51/04/44/968510444.db2.gz JVXZTUZAPSYJGM-UHFFFAOYSA-N 1 2 212.680 1.159 20 0 BDADLO C/C=C\[C@H](O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000822523491 968520942 /nfs/dbraw/zinc/52/09/42/968520942.db2.gz OKMXKGNYVSYYAX-RXNFCKPNSA-N 1 2 234.299 1.252 20 0 BDADLO Cc1nc2c(o1)CC[N@H+](Cc1ccc[nH]c1=O)C2 ZINC001207011821 968548810 /nfs/dbraw/zinc/54/88/10/968548810.db2.gz RBZNQHWENOYDJT-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc[nH]c1=O)C2 ZINC001207011821 968548814 /nfs/dbraw/zinc/54/88/14/968548814.db2.gz RBZNQHWENOYDJT-UHFFFAOYSA-N 1 2 245.282 1.642 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001207014096 968551038 /nfs/dbraw/zinc/55/10/38/968551038.db2.gz WQNNGARLHGETQA-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001207014096 968551035 /nfs/dbraw/zinc/55/10/35/968551035.db2.gz WQNNGARLHGETQA-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CC(C)N(CCCO)Cc1[nH+]cc2ccccn21 ZINC001207052433 968584188 /nfs/dbraw/zinc/58/41/88/968584188.db2.gz BSZQTZJRVHPMII-UHFFFAOYSA-N 1 2 247.342 1.927 20 0 BDADLO COC1CC(C(=O)NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000824289598 968592418 /nfs/dbraw/zinc/59/24/18/968592418.db2.gz IRFHBVTWXPMTQD-UHFFFAOYSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H]1C[NH+](Cc2cccc(=O)[nH]2)C[C@H](C)O1 ZINC001207064186 968598114 /nfs/dbraw/zinc/59/81/14/968598114.db2.gz KXZQZCXDVKCVHA-UWVGGRQHSA-N 1 2 222.288 1.396 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001207133513 968647950 /nfs/dbraw/zinc/64/79/50/968647950.db2.gz QHBXAGXTCQSNBM-GHMZBOCLSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001207133513 968647953 /nfs/dbraw/zinc/64/79/53/968647953.db2.gz QHBXAGXTCQSNBM-GHMZBOCLSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1ncccc1C[NH+]1CCN(CCF)CC1 ZINC001207155129 968664028 /nfs/dbraw/zinc/66/40/28/968664028.db2.gz LMOMVLKELMELHD-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccnc2C)C[C@H]1C ZINC001207154513 968664234 /nfs/dbraw/zinc/66/42/34/968664234.db2.gz UCWLBTMFXYSANR-LLVKDONJSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccnc2C)C[C@H]1C ZINC001207154513 968664243 /nfs/dbraw/zinc/66/42/43/968664243.db2.gz UCWLBTMFXYSANR-LLVKDONJSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2cncnc2)c1 ZINC001207161441 968670460 /nfs/dbraw/zinc/67/04/60/968670460.db2.gz IAFVNTOKZHIFQQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2cncnc2)c1 ZINC001207161441 968670463 /nfs/dbraw/zinc/67/04/63/968670463.db2.gz IAFVNTOKZHIFQQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC001207162769 968670963 /nfs/dbraw/zinc/67/09/63/968670963.db2.gz YGSBOJISSWBTLY-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC001207162769 968670966 /nfs/dbraw/zinc/67/09/66/968670966.db2.gz YGSBOJISSWBTLY-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@H]2C(C)C)n1 ZINC001207166149 968673584 /nfs/dbraw/zinc/67/35/84/968673584.db2.gz AWYYSACCNHOZQM-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@H]2C(C)C)n1 ZINC001207166149 968673587 /nfs/dbraw/zinc/67/35/87/968673587.db2.gz AWYYSACCNHOZQM-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO COC(C[N@H+](C)Cc1ccnn1C(C)C)OC ZINC001207173484 968681440 /nfs/dbraw/zinc/68/14/40/968681440.db2.gz GKBVMSQSKVAEJP-UHFFFAOYSA-N 1 2 241.335 1.515 20 0 BDADLO COC(C[N@@H+](C)Cc1ccnn1C(C)C)OC ZINC001207173484 968681450 /nfs/dbraw/zinc/68/14/50/968681450.db2.gz GKBVMSQSKVAEJP-UHFFFAOYSA-N 1 2 241.335 1.515 20 0 BDADLO CN1CC[N@H+](CCc2ccc(F)cc2)CC1=O ZINC001207510537 968811875 /nfs/dbraw/zinc/81/18/75/968811875.db2.gz DNLLGVWCSRZRSD-UHFFFAOYSA-N 1 2 236.290 1.142 20 0 BDADLO CN1CC[N@@H+](CCc2ccc(F)cc2)CC1=O ZINC001207510537 968811878 /nfs/dbraw/zinc/81/18/78/968811878.db2.gz DNLLGVWCSRZRSD-UHFFFAOYSA-N 1 2 236.290 1.142 20 0 BDADLO CC1(C[NH+]2CC(Oc3cccnc3)C2)COC1 ZINC001207797124 968883661 /nfs/dbraw/zinc/88/36/61/968883661.db2.gz KXSXMQMRPUQPDX-UHFFFAOYSA-N 1 2 234.299 1.181 20 0 BDADLO c1cc2n(n1)CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC001207962897 968960458 /nfs/dbraw/zinc/96/04/58/968960458.db2.gz ZIJRCILLQLUSPG-LBPRGKRZSA-N 1 2 221.304 1.268 20 0 BDADLO c1cc2n(n1)CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC001207962897 968960459 /nfs/dbraw/zinc/96/04/59/968960459.db2.gz ZIJRCILLQLUSPG-LBPRGKRZSA-N 1 2 221.304 1.268 20 0 BDADLO c1cnn(CCC[N@@H+]2Cc3cccnc3C2)c1 ZINC001208082868 968985754 /nfs/dbraw/zinc/98/57/54/968985754.db2.gz XHYVCWLZUKJPPO-UHFFFAOYSA-N 1 2 228.299 1.684 20 0 BDADLO c1cnn(CCC[N@H+]2Cc3cccnc3C2)c1 ZINC001208082868 968985760 /nfs/dbraw/zinc/98/57/60/968985760.db2.gz XHYVCWLZUKJPPO-UHFFFAOYSA-N 1 2 228.299 1.684 20 0 BDADLO Cc1cc(C)c(NCC2(O)CCOCC2)c[nH+]1 ZINC001252956010 969051507 /nfs/dbraw/zinc/05/15/07/969051507.db2.gz RDLFQDJIUPSRHX-UHFFFAOYSA-N 1 2 236.315 1.652 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nnc(-c3ccccc3)o2)C1 ZINC001253080983 969077821 /nfs/dbraw/zinc/07/78/21/969077821.db2.gz BECHWYGVQOKTOR-LLVKDONJSA-N 1 2 245.282 1.740 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nnc(-c3ccccc3)o2)C1 ZINC001253080983 969077827 /nfs/dbraw/zinc/07/78/27/969077827.db2.gz BECHWYGVQOKTOR-LLVKDONJSA-N 1 2 245.282 1.740 20 0 BDADLO CC[C@@H](NC(=O)NCc1ccc[nH+]c1N)C1CC1 ZINC001253168865 969100262 /nfs/dbraw/zinc/10/02/62/969100262.db2.gz GNQDNVIOZYZKHQ-LLVKDONJSA-N 1 2 248.330 1.652 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cn1 ZINC001253288335 969130168 /nfs/dbraw/zinc/13/01/68/969130168.db2.gz XCHXHUJNZRMTGE-JTQLQIEISA-N 1 2 230.271 1.786 20 0 BDADLO Cc1nnc(CCc2cn3ccccc3[nH+]2)o1 ZINC001253402698 969155818 /nfs/dbraw/zinc/15/58/18/969155818.db2.gz ZJCFAFHOQPCTQF-UHFFFAOYSA-N 1 2 228.255 1.811 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2)c2ncnn21 ZINC001329548549 969174843 /nfs/dbraw/zinc/17/48/43/969174843.db2.gz MQWKVMRRFNSKEF-MWLCHTKSSA-N 1 2 229.287 1.469 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccncc2)c2ncnn21 ZINC001329548555 969178391 /nfs/dbraw/zinc/17/83/91/969178391.db2.gz MQWKVMRRFNSKEF-ONGXEEELSA-N 1 2 229.287 1.469 20 0 BDADLO c1[nH]cc(Cc2nnc(Cc3ccccc3)o2)[nH+]1 ZINC001253511653 969194468 /nfs/dbraw/zinc/19/44/68/969194468.db2.gz VHCAASXTXNILIG-UHFFFAOYSA-N 1 2 240.266 1.974 20 0 BDADLO COC(=O)c1cnnc(-c2c[nH+]c(N)cc2C)c1 ZINC001242070683 969196721 /nfs/dbraw/zinc/19/67/21/969196721.db2.gz JAIPNROMAHIIJF-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO COc1c[nH+]c(NC[C@@H]2CCC(=O)N2)c(C)c1 ZINC001156143432 969197999 /nfs/dbraw/zinc/19/79/99/969197999.db2.gz AADWRFPTYRXIRP-VIFPVBQESA-N 1 2 235.287 1.089 20 0 BDADLO C[N@H+]1CC=C(Nc2ccc(Cl)nn2)CC1 ZINC001208720204 969205156 /nfs/dbraw/zinc/20/51/56/969205156.db2.gz YVGPNJZJQZCSHX-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO C[N@@H+]1CC=C(Nc2ccc(Cl)nn2)CC1 ZINC001208720204 969205159 /nfs/dbraw/zinc/20/51/59/969205159.db2.gz YVGPNJZJQZCSHX-UHFFFAOYSA-N 1 2 224.695 1.761 20 0 BDADLO CCCCC[C@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC001253536580 969212606 /nfs/dbraw/zinc/21/26/06/969212606.db2.gz SNBMFDSWSGMTFR-ZDUSSCGKSA-N 1 2 242.407 1.954 20 0 BDADLO CCCCC[C@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC001253536580 969212612 /nfs/dbraw/zinc/21/26/12/969212612.db2.gz SNBMFDSWSGMTFR-ZDUSSCGKSA-N 1 2 242.407 1.954 20 0 BDADLO CC(C)Oc1ncccc1CC[NH+]1CC(O)C1 ZINC001208788605 969237143 /nfs/dbraw/zinc/23/71/43/969237143.db2.gz OMNLVTYKCZYDNQ-UHFFFAOYSA-N 1 2 236.315 1.088 20 0 BDADLO FC1(F)COC2(C[NH+](C[C@H]3CCC=CO3)C2)C1 ZINC001208883089 969272539 /nfs/dbraw/zinc/27/25/39/969272539.db2.gz RYSFCOFWQFNHBX-SNVBAGLBSA-N 1 2 245.269 1.789 20 0 BDADLO C[C@@H](C[N@@H+]1CC[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208893724 969281888 /nfs/dbraw/zinc/28/18/88/969281888.db2.gz FGXIADMPIUCHTI-BIIVOSGPSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@@H](C[N@H+]1CC[C@@H](O)[C@@H](F)C1)C(F)(F)F ZINC001208893724 969281891 /nfs/dbraw/zinc/28/18/91/969281891.db2.gz FGXIADMPIUCHTI-BIIVOSGPSA-N 1 2 229.217 1.590 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)[nH]1 ZINC001168982930 969300401 /nfs/dbraw/zinc/30/04/01/969300401.db2.gz UNRMXFDOMBHREL-JGVFFNPUSA-N 1 2 248.334 1.567 20 0 BDADLO CC1(C)OCC(C[N@@H+]2Cc3cncnc3C2)CO1 ZINC001209193481 969381875 /nfs/dbraw/zinc/38/18/75/969381875.db2.gz UYWHUMJEJKFPLU-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO CC1(C)OCC(C[N@H+]2Cc3cncnc3C2)CO1 ZINC001209193481 969381881 /nfs/dbraw/zinc/38/18/81/969381881.db2.gz UYWHUMJEJKFPLU-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO COCC[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001209211610 969401923 /nfs/dbraw/zinc/40/19/23/969401923.db2.gz SLOJLNORFDNBCH-UHFFFAOYSA-N 1 2 226.707 1.740 20 0 BDADLO COCC[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001209211610 969401926 /nfs/dbraw/zinc/40/19/26/969401926.db2.gz SLOJLNORFDNBCH-UHFFFAOYSA-N 1 2 226.707 1.740 20 0 BDADLO O=C1C[C@@H](Nc2[nH+]cccc2-n2cccc2)CO1 ZINC001169121268 969415713 /nfs/dbraw/zinc/41/57/13/969415713.db2.gz VGXJCCAIZDSFPA-SNVBAGLBSA-N 1 2 243.266 1.600 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209413706 969483253 /nfs/dbraw/zinc/48/32/53/969483253.db2.gz DWJUVXFBZSTWJN-KXUCPTDWSA-N 1 2 219.275 1.592 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209413706 969483261 /nfs/dbraw/zinc/48/32/61/969483261.db2.gz DWJUVXFBZSTWJN-KXUCPTDWSA-N 1 2 219.275 1.592 20 0 BDADLO CC[N@H+](Cc1cncs1)C1CN(C)C1 ZINC001209551288 969538078 /nfs/dbraw/zinc/53/80/78/969538078.db2.gz VFYASQXBOYXLDP-UHFFFAOYSA-N 1 2 211.334 1.279 20 0 BDADLO CC[N@@H+](Cc1cncs1)C1CN(C)C1 ZINC001209551288 969538083 /nfs/dbraw/zinc/53/80/83/969538083.db2.gz VFYASQXBOYXLDP-UHFFFAOYSA-N 1 2 211.334 1.279 20 0 BDADLO CCN(Cc1cncs1)C1C[NH+](C)C1 ZINC001209551288 969538088 /nfs/dbraw/zinc/53/80/88/969538088.db2.gz VFYASQXBOYXLDP-UHFFFAOYSA-N 1 2 211.334 1.279 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001209553028 969538282 /nfs/dbraw/zinc/53/82/82/969538282.db2.gz LHTIVJPOOFTZJK-ZDUSSCGKSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001209553028 969538287 /nfs/dbraw/zinc/53/82/87/969538287.db2.gz LHTIVJPOOFTZJK-ZDUSSCGKSA-N 1 2 235.331 1.863 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)no1 ZINC001209559213 969542549 /nfs/dbraw/zinc/54/25/49/969542549.db2.gz CZSTYSMEMFGYAU-KOLCDFICSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)no1 ZINC001209559213 969542551 /nfs/dbraw/zinc/54/25/51/969542551.db2.gz CZSTYSMEMFGYAU-KOLCDFICSA-N 1 2 208.261 1.285 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)no1 ZINC001209559199 969544893 /nfs/dbraw/zinc/54/48/93/969544893.db2.gz CUGFJJAGRKIRHS-ZYHUDNBSSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)no1 ZINC001209559199 969544899 /nfs/dbraw/zinc/54/48/99/969544899.db2.gz CUGFJJAGRKIRHS-ZYHUDNBSSA-N 1 2 222.288 1.676 20 0 BDADLO O=c1[nH]ccc2c1CC[N@H+](Cc1ccon1)C2 ZINC001209568272 969549482 /nfs/dbraw/zinc/54/94/82/969549482.db2.gz PDOUFUUKFBYDIV-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO O=c1[nH]ccc2c1CC[N@@H+](Cc1ccon1)C2 ZINC001209568272 969549488 /nfs/dbraw/zinc/54/94/88/969549488.db2.gz PDOUFUUKFBYDIV-UHFFFAOYSA-N 1 2 231.255 1.334 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc(C)[nH]2)n(C)n1 ZINC001209572145 969553493 /nfs/dbraw/zinc/55/34/93/969553493.db2.gz CPHKOSMSVBXHGG-UHFFFAOYSA-N 1 2 232.331 1.997 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)[nH]2)n(C)n1 ZINC001209572145 969553498 /nfs/dbraw/zinc/55/34/98/969553498.db2.gz CPHKOSMSVBXHGG-UHFFFAOYSA-N 1 2 232.331 1.997 20 0 BDADLO Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)[nH]1 ZINC001209574806 969559402 /nfs/dbraw/zinc/55/94/02/969559402.db2.gz VODYHNMAYIKHEJ-NSHDSACASA-N 1 2 237.322 1.551 20 0 BDADLO Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)[nH]1 ZINC001209574806 969559411 /nfs/dbraw/zinc/55/94/11/969559411.db2.gz VODYHNMAYIKHEJ-NSHDSACASA-N 1 2 237.322 1.551 20 0 BDADLO COc1cc(C[NH+]2CCC2)cnc1OC ZINC001209613081 969567455 /nfs/dbraw/zinc/56/74/55/969567455.db2.gz HBCSKLFJCBWMPG-UHFFFAOYSA-N 1 2 208.261 1.305 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccnc(OC)c1)C2 ZINC001209640812 969569313 /nfs/dbraw/zinc/56/93/13/969569313.db2.gz LQFPOSSUEUMRBQ-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccnc(OC)c1)C2 ZINC001209640812 969569320 /nfs/dbraw/zinc/56/93/20/969569320.db2.gz LQFPOSSUEUMRBQ-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@H]2C(C)=O)ccn1 ZINC001209645260 969570295 /nfs/dbraw/zinc/57/02/95/969570295.db2.gz VIKNXABJHAAQJP-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@H]2C(C)=O)ccn1 ZINC001209645260 969570303 /nfs/dbraw/zinc/57/03/03/969570303.db2.gz VIKNXABJHAAQJP-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO COc1cc(C[NH+]2CC3(CC(O)C3)C2)ccn1 ZINC001209637788 969571372 /nfs/dbraw/zinc/57/13/72/969571372.db2.gz QLQUSDASEVEINU-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCCOC2)CCCC1 ZINC001254368127 969581282 /nfs/dbraw/zinc/58/12/82/969581282.db2.gz WBWDUVBVHPJZMA-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCCOC1 ZINC001254373999 969586571 /nfs/dbraw/zinc/58/65/71/969586571.db2.gz FGQUMAHJROKKNV-AEJSXWLSSA-N 1 2 205.248 1.547 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCCOC1 ZINC001254373999 969586577 /nfs/dbraw/zinc/58/65/77/969586577.db2.gz FGQUMAHJROKKNV-AEJSXWLSSA-N 1 2 205.248 1.547 20 0 BDADLO F[C@@H]1C[N@@H+]([C@H]2CCCOC2)CCC1(F)F ZINC001254377337 969594817 /nfs/dbraw/zinc/59/48/17/969594817.db2.gz FSUPMIHFHWZGRG-DTWKUNHWSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@@H]1C[N@H+]([C@H]2CCCOC2)CCC1(F)F ZINC001254377337 969594820 /nfs/dbraw/zinc/59/48/20/969594820.db2.gz FSUPMIHFHWZGRG-DTWKUNHWSA-N 1 2 223.238 1.845 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cnccc2N)CC1 ZINC001209734252 969600570 /nfs/dbraw/zinc/60/05/70/969600570.db2.gz PHDXVLHOBQCFEA-UHFFFAOYSA-N 1 2 249.358 1.884 20 0 BDADLO NC(=O)c1cnoc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209847277 969662312 /nfs/dbraw/zinc/66/23/12/969662312.db2.gz DXHWVFVAPJLTPH-UHFFFAOYSA-N 1 2 243.226 1.393 20 0 BDADLO C[C@H](OCC[NH+]1CCOCC1)c1ccncc1 ZINC001210192099 969825740 /nfs/dbraw/zinc/82/57/40/969825740.db2.gz LWJBNIUJENLGPA-LBPRGKRZSA-N 1 2 236.315 1.491 20 0 BDADLO CNc1ccc(NCc2ncccc2O)c[nH+]1 ZINC001169733476 969836822 /nfs/dbraw/zinc/83/68/22/969836822.db2.gz VAFIIQFCKYDWAU-UHFFFAOYSA-N 1 2 230.271 1.836 20 0 BDADLO O=C1C[C@H]2CC([N@@H+]3CCn4nccc4C3)C[C@@H]2C1 ZINC001254963554 969841576 /nfs/dbraw/zinc/84/15/76/969841576.db2.gz JKGMUUPTLYYKAV-GHMZBOCLSA-N 1 2 245.326 1.456 20 0 BDADLO O=C1C[C@H]2CC([N@H+]3CCn4nccc4C3)C[C@@H]2C1 ZINC001254963554 969841579 /nfs/dbraw/zinc/84/15/79/969841579.db2.gz JKGMUUPTLYYKAV-GHMZBOCLSA-N 1 2 245.326 1.456 20 0 BDADLO CO[C@@H](C)CNc1[nH+]c(C)nc2c1ccn2C ZINC001169773218 969847709 /nfs/dbraw/zinc/84/77/09/969847709.db2.gz SXQYYJZOLHMLDR-QMMMGPOBSA-N 1 2 234.303 1.724 20 0 BDADLO C=CC(=O)NCCNc1cc2cc[nH]c2c[nH+]1 ZINC001169800590 969848810 /nfs/dbraw/zinc/84/88/10/969848810.db2.gz YYVIHELCHMRMMX-UHFFFAOYSA-N 1 2 230.271 1.277 20 0 BDADLO C=CC(=O)NCCNc1cc[nH+]c(OC(C)C)c1 ZINC001169804062 969849697 /nfs/dbraw/zinc/84/96/97/969849697.db2.gz FHDOKFPJIVVXMR-UHFFFAOYSA-N 1 2 249.314 1.583 20 0 BDADLO Cc1[nH+]cc(Nc2nccnc2N(C)C)cc1N ZINC001210287391 969853680 /nfs/dbraw/zinc/85/36/80/969853680.db2.gz RYRXKYYXANMPLZ-UHFFFAOYSA-N 1 2 244.302 1.572 20 0 BDADLO Cc1[nH+]cc(-n2ccc(N)c3ccnc2-3)cc1N ZINC001210287380 969855046 /nfs/dbraw/zinc/85/50/46/969855046.db2.gz RTXTZCITPZEHKB-UHFFFAOYSA-N 1 2 239.282 1.845 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@H+]1C1CCOCC1 ZINC001255038674 969856176 /nfs/dbraw/zinc/85/61/76/969856176.db2.gz MFCVAKNBXMQFBT-SNVBAGLBSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@@H+]1C1CCOCC1 ZINC001255038674 969856174 /nfs/dbraw/zinc/85/61/74/969856174.db2.gz MFCVAKNBXMQFBT-SNVBAGLBSA-N 1 2 235.274 1.257 20 0 BDADLO O=C1CCC[N@H+](C2CCOCC2)C[C@H]1F ZINC001255038535 969862667 /nfs/dbraw/zinc/86/26/67/969862667.db2.gz KPXPCSRMDRYURD-SNVBAGLBSA-N 1 2 215.268 1.168 20 0 BDADLO O=C1CCC[N@@H+](C2CCOCC2)C[C@H]1F ZINC001255038535 969862668 /nfs/dbraw/zinc/86/26/68/969862668.db2.gz KPXPCSRMDRYURD-SNVBAGLBSA-N 1 2 215.268 1.168 20 0 BDADLO Cc1cccc(F)c1C(=O)N1CC[NH+](C)CC1 ZINC000145244724 969873367 /nfs/dbraw/zinc/87/33/67/969873367.db2.gz NOOUHTBDQHNECM-UHFFFAOYSA-N 1 2 236.290 1.522 20 0 BDADLO CC(=O)Nc1cc(Nc2ccn(C)n2)cc[nH+]1 ZINC001210348173 969873488 /nfs/dbraw/zinc/87/34/88/969873488.db2.gz IWYYAMRFDNFKEA-UHFFFAOYSA-N 1 2 231.259 1.517 20 0 BDADLO CC1(C)OC[C@@H](CNc2ccn3cc[nH+]c3c2)O1 ZINC001169907674 969882171 /nfs/dbraw/zinc/88/21/71/969882171.db2.gz FRVSDMADIFGUEP-LLVKDONJSA-N 1 2 247.298 1.898 20 0 BDADLO Cc1nc(N[C@@H](C)CCO)c2c([nH+]1)CCC2 ZINC001156452435 969897131 /nfs/dbraw/zinc/89/71/31/969897131.db2.gz TTXSMJHYLWHTSG-QMMMGPOBSA-N 1 2 221.304 1.457 20 0 BDADLO CSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001108907790 969908833 /nfs/dbraw/zinc/90/88/33/969908833.db2.gz OZNBGRRVSSUEKL-UTLUCORTSA-N 1 2 246.351 1.040 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc(C)c2[nH]ccc2[nH+]1 ZINC001169985048 969938909 /nfs/dbraw/zinc/93/89/09/969938909.db2.gz DILRWUXDJPUIES-QMMMGPOBSA-N 1 2 232.287 1.418 20 0 BDADLO CC1(C)CC([N@@H+]2CCC(=O)C2)CC(C)(C)N1O ZINC001170002551 969985996 /nfs/dbraw/zinc/98/59/96/969985996.db2.gz FFNNXGHIPFFYHM-UHFFFAOYSA-N 1 2 240.347 1.672 20 0 BDADLO CC1(C)CC([N@H+]2CCC(=O)C2)CC(C)(C)N1O ZINC001170002551 969986002 /nfs/dbraw/zinc/98/60/02/969986002.db2.gz FFNNXGHIPFFYHM-UHFFFAOYSA-N 1 2 240.347 1.672 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001255314880 970084710 /nfs/dbraw/zinc/08/47/10/970084710.db2.gz WTFWZTMDUXNXCH-GMTAPVOTSA-N 1 2 231.336 1.467 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CCC=CO1)n1cc[nH+]c1 ZINC001255391027 970125604 /nfs/dbraw/zinc/12/56/04/970125604.db2.gz NVTOGXZLNKFFMX-WDEREUQCSA-N 1 2 235.287 1.253 20 0 BDADLO COC(=O)c1cc(-c2c[nH+]cn2C)cnc1C ZINC001243068075 970255573 /nfs/dbraw/zinc/25/55/73/970255573.db2.gz VFXDTZHBCIBQIQ-UHFFFAOYSA-N 1 2 231.255 1.577 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H](C)O ZINC001170100815 970290026 /nfs/dbraw/zinc/29/00/26/970290026.db2.gz LMELXJNDLCMSPR-CHWFTXMASA-N 1 2 229.320 1.077 20 0 BDADLO COC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001255552992 970328836 /nfs/dbraw/zinc/32/88/36/970328836.db2.gz JEAMVJVOGLHVJA-CMPLNLGQSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(C)c(Nc2cnccc2C(N)=O)c[nH+]1 ZINC001213508312 970330413 /nfs/dbraw/zinc/33/04/13/970330413.db2.gz PPSHUXWUIFZETO-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1cc(C)c(Nc2nccn3cnnc23)c[nH+]1 ZINC001213505651 970335492 /nfs/dbraw/zinc/33/54/92/970335492.db2.gz MEOMOGFEKLJHTB-UHFFFAOYSA-N 1 2 240.270 1.880 20 0 BDADLO c1[nH]cc(CCc2nnc(C3CCOCC3)o2)[nH+]1 ZINC001255664346 970444864 /nfs/dbraw/zinc/44/48/64/970444864.db2.gz HFRHWMRMOHZKCM-UHFFFAOYSA-N 1 2 248.286 1.472 20 0 BDADLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001170153100 970470692 /nfs/dbraw/zinc/47/06/92/970470692.db2.gz OECSZDOGHZKMDD-KXUCPTDWSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001170153100 970470695 /nfs/dbraw/zinc/47/06/95/970470695.db2.gz OECSZDOGHZKMDD-KXUCPTDWSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H](Cc1ccccc1F)[NH+]1CCN(C#N)CC1 ZINC001255856538 970525127 /nfs/dbraw/zinc/52/51/27/970525127.db2.gz WETHPWLDUJYEIQ-GFCCVEGCSA-N 1 2 247.317 1.855 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC001170300583 970683457 /nfs/dbraw/zinc/68/34/57/970683457.db2.gz ROQPILDGDMWZBJ-GHMZBOCLSA-N 1 2 240.303 1.185 20 0 BDADLO C[C@H](CC(=O)N1CC[C@]12CCOC2)n1cc[nH+]c1 ZINC001327350408 972554293 /nfs/dbraw/zinc/55/42/93/972554293.db2.gz CYJKZZFSWIOVME-DGCLKSJQSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@H]1COCC[C@@H]1OCc1c[nH+]cn1C ZINC001222601158 972596460 /nfs/dbraw/zinc/59/64/60/972596460.db2.gz YNTIWHYYEOILDF-ONGXEEELSA-N 1 2 210.277 1.362 20 0 BDADLO COC1CCC([N@H+](C)Cc2nnc[nH]2)CC1 ZINC001327513855 972604492 /nfs/dbraw/zinc/60/44/92/972604492.db2.gz ZRUKMPVHBHEXDU-UHFFFAOYSA-N 1 2 224.308 1.194 20 0 BDADLO COC1CCC([N@@H+](C)Cc2nnc[nH]2)CC1 ZINC001327513855 972604497 /nfs/dbraw/zinc/60/44/97/972604497.db2.gz ZRUKMPVHBHEXDU-UHFFFAOYSA-N 1 2 224.308 1.194 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc[nH]2)CCc2ccccc21 ZINC001327571606 972646186 /nfs/dbraw/zinc/64/61/86/972646186.db2.gz CNEYHAXJLUCQRB-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc[nH]2)CCc2ccccc21 ZINC001327571606 972646189 /nfs/dbraw/zinc/64/61/89/972646189.db2.gz CNEYHAXJLUCQRB-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc[nH]n2)CCc2ccccc21 ZINC001327571606 972646195 /nfs/dbraw/zinc/64/61/95/972646195.db2.gz CNEYHAXJLUCQRB-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc[nH]n2)CCc2ccccc21 ZINC001327571606 972646201 /nfs/dbraw/zinc/64/62/01/972646201.db2.gz CNEYHAXJLUCQRB-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO CCc1[nH]nc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C ZINC001327648370 972684047 /nfs/dbraw/zinc/68/40/47/972684047.db2.gz MDQZQDPHPZFHGG-SECBINFHSA-N 1 2 247.302 1.677 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1ccc(O)cn1 ZINC001144253078 972718960 /nfs/dbraw/zinc/71/89/60/972718960.db2.gz GSBIKBYSMBSGCY-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1ccc(O)cn1 ZINC001144253078 972718970 /nfs/dbraw/zinc/71/89/70/972718970.db2.gz GSBIKBYSMBSGCY-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nnc[nH]1 ZINC001327897559 972797967 /nfs/dbraw/zinc/79/79/67/972797967.db2.gz SFJPXHZWGNODBA-YPMHNXCESA-N 1 2 244.298 1.207 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\c2ccncn2)o1 ZINC001327908211 972803945 /nfs/dbraw/zinc/80/39/45/972803945.db2.gz WPANQDLHDFSCKP-ARJAWSKDSA-N 1 2 231.259 1.092 20 0 BDADLO CC[NH+]1CC(O[C@@H](C(=O)OC)c2ccccc2)C1 ZINC001223066973 972833464 /nfs/dbraw/zinc/83/34/64/972833464.db2.gz AVPLKUSEGXNNPB-CYBMUJFWSA-N 1 2 249.310 1.621 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545012 972856366 /nfs/dbraw/zinc/85/63/66/972856366.db2.gz OKFMILUSNPIZNV-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545012 972856369 /nfs/dbraw/zinc/85/63/69/972856369.db2.gz OKFMILUSNPIZNV-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545011 972857325 /nfs/dbraw/zinc/85/73/25/972857325.db2.gz OKFMILUSNPIZNV-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545011 972857328 /nfs/dbraw/zinc/85/73/28/972857328.db2.gz OKFMILUSNPIZNV-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO Cc1cnc(C)nc1NCc1ccc[nH+]c1N ZINC001328041926 972859209 /nfs/dbraw/zinc/85/92/09/972859209.db2.gz RCNIHTFIWDJHKG-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO C[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C[C@@H]1O ZINC001144616086 972893779 /nfs/dbraw/zinc/89/37/79/972893779.db2.gz MXOCPNCAYYWTBS-RISCZKNCSA-N 1 2 245.326 1.537 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001328382027 973003322 /nfs/dbraw/zinc/00/33/22/973003322.db2.gz WDDOWPPKUJGSQZ-VXGBXAGGSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001328382027 973003339 /nfs/dbraw/zinc/00/33/39/973003339.db2.gz WDDOWPPKUJGSQZ-VXGBXAGGSA-N 1 2 234.347 1.859 20 0 BDADLO Cc1cc(COC2COCOC2)cc(C)[nH+]1 ZINC001223419405 973049511 /nfs/dbraw/zinc/04/95/11/973049511.db2.gz DDTPASGFUFFTGY-UHFFFAOYSA-N 1 2 223.272 1.588 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328438625 973057994 /nfs/dbraw/zinc/05/79/94/973057994.db2.gz LDLURCHXSKECIU-SECBINFHSA-N 1 2 233.275 1.125 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCS[C@H]1C)n1cc[nH+]c1 ZINC001328578109 973157354 /nfs/dbraw/zinc/15/73/54/973157354.db2.gz RYPOMHQLBLIISH-UTLUCORTSA-N 1 2 239.344 1.454 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](CC)OC)C1CC1 ZINC001328621049 973202206 /nfs/dbraw/zinc/20/22/06/973202206.db2.gz UPHJYWBPUHRJLM-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO CCN(C(=O)COC1CCCC1)C1C[NH+](C)C1 ZINC001146762461 973242450 /nfs/dbraw/zinc/24/24/50/973242450.db2.gz QZPNYHXRRDLYJB-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H](CC(=O)N1Cc2c[nH]nc2C1)n1cc[nH+]c1 ZINC001328705845 973293137 /nfs/dbraw/zinc/29/31/37/973293137.db2.gz XGGPVRRIVIBLPK-VIFPVBQESA-N 1 2 245.286 1.100 20 0 BDADLO COCc1cccc(COC2C[NH+](C)C2)c1 ZINC001223935565 973338118 /nfs/dbraw/zinc/33/81/18/973338118.db2.gz WLQLABWSRCJDGF-UHFFFAOYSA-N 1 2 221.300 1.664 20 0 BDADLO CSCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328831150 973364511 /nfs/dbraw/zinc/36/45/11/973364511.db2.gz VJZUQIWPRCOVPI-SECBINFHSA-N 1 2 227.333 1.313 20 0 BDADLO C/C=C\C[C@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001328993063 973415649 /nfs/dbraw/zinc/41/56/49/973415649.db2.gz QUMAHLGDCGYGAH-QUCGXOGASA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001328993063 973415657 /nfs/dbraw/zinc/41/56/57/973415657.db2.gz QUMAHLGDCGYGAH-QUCGXOGASA-N 1 2 220.320 1.983 20 0 BDADLO O=C(C[C@H]1CCCOC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001329104246 973483925 /nfs/dbraw/zinc/48/39/25/973483925.db2.gz FSGYGGARTDNHQL-GHMZBOCLSA-N 1 2 249.314 1.261 20 0 BDADLO CCN(C(=O)c1cncc(C)c1)C1C[NH+](C)C1 ZINC001147401560 973592210 /nfs/dbraw/zinc/59/22/10/973592210.db2.gz LPTXZLNSNGPONN-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@@H]1F ZINC001329623735 973856937 /nfs/dbraw/zinc/85/69/37/973856937.db2.gz ZDUHAUUNDIMAPR-WDEREUQCSA-N 1 2 239.294 1.360 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC001329645355 973865729 /nfs/dbraw/zinc/86/57/29/973865729.db2.gz WVGWZEDUQVWIDZ-LPWJVIDDSA-N 1 2 247.342 1.997 20 0 BDADLO CC[N@H+](Cc1nnc[nH]1)C1CC(C)(C)C1 ZINC001329889748 974002469 /nfs/dbraw/zinc/00/24/69/974002469.db2.gz ANTIRRMBCZLQBN-UHFFFAOYSA-N 1 2 208.309 1.815 20 0 BDADLO CC[N@@H+](Cc1nnc[nH]1)C1CC(C)(C)C1 ZINC001329889748 974002483 /nfs/dbraw/zinc/00/24/83/974002483.db2.gz ANTIRRMBCZLQBN-UHFFFAOYSA-N 1 2 208.309 1.815 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H](C3CCCC3)C2)[nH]1 ZINC001329893872 974007605 /nfs/dbraw/zinc/00/76/05/974007605.db2.gz YRFZWSDYFSECNW-NSHDSACASA-N 1 2 220.320 1.817 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H](C3CCCC3)C2)[nH]1 ZINC001329893872 974007618 /nfs/dbraw/zinc/00/76/18/974007618.db2.gz YRFZWSDYFSECNW-NSHDSACASA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CC12CCC2)n1cc[nH+]c1 ZINC001329917049 974027633 /nfs/dbraw/zinc/02/76/33/974027633.db2.gz WFLKITSZASYCSE-UWVGGRQHSA-N 1 2 219.288 1.503 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)CCN1C ZINC001137047819 974043704 /nfs/dbraw/zinc/04/37/04/974043704.db2.gz NVMHJIZYXNFVJU-LLVKDONJSA-N 1 2 244.342 1.699 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCN1C ZINC001137047819 974043715 /nfs/dbraw/zinc/04/37/15/974043715.db2.gz NVMHJIZYXNFVJU-LLVKDONJSA-N 1 2 244.342 1.699 20 0 BDADLO Cc1nc(NCCNC(=O)C[C@@H]2C[C@@H]2C)cc[nH+]1 ZINC001094089448 974043851 /nfs/dbraw/zinc/04/38/51/974043851.db2.gz WDPPDDRUUSQENL-ONGXEEELSA-N 1 2 248.330 1.359 20 0 BDADLO Cc1nc(NCCNC(=O)CC2(C)CC2)cc[nH+]1 ZINC001093997964 974047282 /nfs/dbraw/zinc/04/72/82/974047282.db2.gz UYRPPCVPCCFHTA-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C(C)(C)O)n1cc[nH+]c1 ZINC001329975481 974064252 /nfs/dbraw/zinc/06/42/52/974064252.db2.gz ZPTRUGSBSRZDOQ-SECBINFHSA-N 1 2 239.319 1.110 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@@H]1CCO1 ZINC001224963106 974103418 /nfs/dbraw/zinc/10/34/18/974103418.db2.gz FXEYXBLOUGAVFR-JTQLQIEISA-N 1 2 215.293 1.976 20 0 BDADLO C/C(=C\c1nnc(C[NH+](C)C)o1)c1cnccn1 ZINC001330101769 974105520 /nfs/dbraw/zinc/10/55/20/974105520.db2.gz UOKUKNAIALOVQQ-RMKNXTFCSA-N 1 2 245.286 1.482 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)n1 ZINC001204068434 974105533 /nfs/dbraw/zinc/10/55/33/974105533.db2.gz HXWLPJRANIEXHY-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cc([C@@H](C)NC(=O)Cn2cc[nH+]c2)c(C)o1 ZINC001330111528 974113350 /nfs/dbraw/zinc/11/33/50/974113350.db2.gz YPYAIRXEMREMDA-SNVBAGLBSA-N 1 2 247.298 1.970 20 0 BDADLO CC[NH+]1CC(Oc2cccc(OC)c2)C1 ZINC001225237233 974288134 /nfs/dbraw/zinc/28/81/34/974288134.db2.gz TUYQLKSYCDJZBR-UHFFFAOYSA-N 1 2 207.273 1.778 20 0 BDADLO C[NH+](C)Cc1ncccc1OC1CC(=O)C1 ZINC001225278811 974344126 /nfs/dbraw/zinc/34/41/26/974344126.db2.gz RTACULJCVBSUGD-UHFFFAOYSA-N 1 2 220.272 1.254 20 0 BDADLO Cc1nnc([C@@H](C)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC001330672569 974400773 /nfs/dbraw/zinc/40/07/73/974400773.db2.gz NFUSPZAZBIJOLH-MRVPVSSYSA-N 1 2 235.291 1.569 20 0 BDADLO O=C1CC[C@@H]2C[C@H]([N@@H+]3CCC(F)(F)C3)CCN12 ZINC001172165914 974428751 /nfs/dbraw/zinc/42/87/51/974428751.db2.gz KWBWUYOHGYUJDO-NXEZZACHSA-N 1 2 244.285 1.481 20 0 BDADLO O=C1CC[C@@H]2C[C@H]([N@H+]3CCC(F)(F)C3)CCN12 ZINC001172165914 974428756 /nfs/dbraw/zinc/42/87/56/974428756.db2.gz KWBWUYOHGYUJDO-NXEZZACHSA-N 1 2 244.285 1.481 20 0 BDADLO C[N@H+](CC(F)F)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172229827 974469600 /nfs/dbraw/zinc/46/96/00/974469600.db2.gz QWRCXLHVGXVMRU-CBLAIPOGSA-N 1 2 205.248 1.893 20 0 BDADLO C[N@@H+](CC(F)F)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172229827 974469607 /nfs/dbraw/zinc/46/96/07/974469607.db2.gz QWRCXLHVGXVMRU-CBLAIPOGSA-N 1 2 205.248 1.893 20 0 BDADLO CCc1ncccc1OC1C[NH+](CC)C1 ZINC001225453268 974501189 /nfs/dbraw/zinc/50/11/89/974501189.db2.gz MSAQYEJTDNQPEH-UHFFFAOYSA-N 1 2 206.289 1.727 20 0 BDADLO COc1ccc(O)cc1OC1C[NH+](C(C)C)C1 ZINC001225460014 974508612 /nfs/dbraw/zinc/50/86/12/974508612.db2.gz BYGYCNNMYIWWNF-UHFFFAOYSA-N 1 2 237.299 1.872 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001330902857 974526622 /nfs/dbraw/zinc/52/66/22/974526622.db2.gz OVGJOBISVNEYQH-VIFPVBQESA-N 1 2 248.286 1.712 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC001331027767 974565201 /nfs/dbraw/zinc/56/52/01/974565201.db2.gz SRDFJIPRHUOAMC-XVKPBYJWSA-N 1 2 225.292 1.454 20 0 BDADLO Cc1nc(C)c(C(=O)Nc2cc(C)[nH+]c(C)c2)[nH]1 ZINC001331120843 974612015 /nfs/dbraw/zinc/61/20/15/974612015.db2.gz NWLUCUMAKQYEIX-UHFFFAOYSA-N 1 2 244.298 1.713 20 0 BDADLO C[C@@H](C(=O)N1CCC(F)CC1)n1cc[nH+]c1 ZINC001331243042 974647009 /nfs/dbraw/zinc/64/70/09/974647009.db2.gz IKGLJBJCSYHTKW-VIFPVBQESA-N 1 2 225.267 1.405 20 0 BDADLO CC[C@@H](CC(C)C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172403096 974655409 /nfs/dbraw/zinc/65/54/09/974655409.db2.gz YBKQLWUXULIONQ-WCQYABFASA-N 1 2 243.347 1.733 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2nc(=O)[nH]cc2F)CC1 ZINC001225881157 974710973 /nfs/dbraw/zinc/71/09/73/974710973.db2.gz FMGPZUGYRPVSOP-MRVPVSSYSA-N 1 2 241.266 1.184 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2nc(=O)[nH]cc2F)CC1 ZINC001225881157 974710981 /nfs/dbraw/zinc/71/09/81/974710981.db2.gz FMGPZUGYRPVSOP-MRVPVSSYSA-N 1 2 241.266 1.184 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H](C)CCOC(C)C)CC1 ZINC001172438318 974793649 /nfs/dbraw/zinc/79/36/49/974793649.db2.gz PFSBCFPSMBYJOD-NSHDSACASA-N 1 2 243.347 1.875 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc(O)ccc2F)C1 ZINC001226126020 974801232 /nfs/dbraw/zinc/80/12/32/974801232.db2.gz GHUXXDIRJAMURP-JTQLQIEISA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc(O)ccc2F)C1 ZINC001226126020 974801236 /nfs/dbraw/zinc/80/12/36/974801236.db2.gz GHUXXDIRJAMURP-JTQLQIEISA-N 1 2 241.262 1.241 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cccn3ccnc23)C1 ZINC001226212491 974829175 /nfs/dbraw/zinc/82/91/75/974829175.db2.gz DTLDXUIMKSTMMI-NSHDSACASA-N 1 2 247.298 1.044 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cccn3ccnc23)C1 ZINC001226212491 974829177 /nfs/dbraw/zinc/82/91/77/974829177.db2.gz DTLDXUIMKSTMMI-NSHDSACASA-N 1 2 247.298 1.044 20 0 BDADLO C[NH+]1CC(Oc2ccc3c(O)cccc3n2)C1 ZINC001226284401 974843680 /nfs/dbraw/zinc/84/36/80/974843680.db2.gz CBWYRKUWGGQWQK-UHFFFAOYSA-N 1 2 230.267 1.633 20 0 BDADLO Cc1coc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001332084548 974947313 /nfs/dbraw/zinc/94/73/13/974947313.db2.gz QDFUCTKACZNMMV-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO CCc1cc(C(=O)N2CCn3c[nH+]cc3C2)no1 ZINC001332132786 974967362 /nfs/dbraw/zinc/96/73/62/974967362.db2.gz LKDXQXIIAHWQPI-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172925310 974971018 /nfs/dbraw/zinc/97/10/18/974971018.db2.gz XNEWHZCMOFGQHC-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001172931475 974984189 /nfs/dbraw/zinc/98/41/89/974984189.db2.gz UKKIHINWKFSSBG-WDEREUQCSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@H]1C[C@@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001173173619 975054840 /nfs/dbraw/zinc/05/48/40/975054840.db2.gz PYAAHPCBUPEUOG-GUBZILKMSA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1C[C@@H]([N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001173173619 975054848 /nfs/dbraw/zinc/05/48/48/975054848.db2.gz PYAAHPCBUPEUOG-GUBZILKMSA-N 1 2 235.274 1.256 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1F ZINC001203254074 975056180 /nfs/dbraw/zinc/05/61/80/975056180.db2.gz BHBOOHKBZIMOFQ-QWRGUYRKSA-N 1 2 212.268 1.194 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1F ZINC001203254074 975056184 /nfs/dbraw/zinc/05/61/84/975056184.db2.gz BHBOOHKBZIMOFQ-QWRGUYRKSA-N 1 2 212.268 1.194 20 0 BDADLO C[NH+]1CC(Oc2cccc3ccc[n+]([O-])c32)C1 ZINC001227001519 975214630 /nfs/dbraw/zinc/21/46/30/975214630.db2.gz DGOXMIDGVNDGGF-UHFFFAOYSA-N 1 2 230.267 1.166 20 0 BDADLO CCc1cc2c(ncnc2OC2C[NH+](C)C2)s1 ZINC001227098546 975272768 /nfs/dbraw/zinc/27/27/68/975272768.db2.gz NASRSWSIWCEQNJ-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO CC[NH+]1CC(Oc2ccc3oc(=O)ccc3c2)C1 ZINC001227224627 975317415 /nfs/dbraw/zinc/31/74/15/975317415.db2.gz DXUIERLOURIYAR-UHFFFAOYSA-N 1 2 245.278 1.876 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)CCC(=O)N3)C1 ZINC001227245906 975325958 /nfs/dbraw/zinc/32/59/58/975325958.db2.gz PLZHNGIHGZDGCS-UHFFFAOYSA-N 1 2 246.310 1.654 20 0 BDADLO Cc1cc[nH+]c(C)c1OC1CN(C(=O)C(C)C)C1 ZINC001227264238 975337287 /nfs/dbraw/zinc/33/72/87/975337287.db2.gz KWIJSIYTGDPDQS-UHFFFAOYSA-N 1 2 248.326 1.944 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccccc2F)C1 ZINC001203345968 975371252 /nfs/dbraw/zinc/37/12/52/975371252.db2.gz GDKBSCAUDVENMN-PWSUYJOCSA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccccc2F)C1 ZINC001203345968 975371257 /nfs/dbraw/zinc/37/12/57/975371257.db2.gz GDKBSCAUDVENMN-PWSUYJOCSA-N 1 2 241.281 1.978 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC001333036151 975379616 /nfs/dbraw/zinc/37/96/16/975379616.db2.gz FPBVLBLQWGZZMI-JTQLQIEISA-N 1 2 235.274 1.379 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC001333036151 975379625 /nfs/dbraw/zinc/37/96/25/975379625.db2.gz FPBVLBLQWGZZMI-JTQLQIEISA-N 1 2 235.274 1.379 20 0 BDADLO COc1nnc(C[NH+]2CCC3(CC3)CC2)s1 ZINC001333156163 975509149 /nfs/dbraw/zinc/50/91/49/975509149.db2.gz HNAMIZINDNAZRE-UHFFFAOYSA-N 1 2 239.344 1.923 20 0 BDADLO CC1(F)C[NH+]([C@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173748588 975545596 /nfs/dbraw/zinc/54/55/96/975545596.db2.gz PRLHOFRPWBWMDQ-VHSXEESVSA-N 1 2 239.298 1.201 20 0 BDADLO CC[N@@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806140 975699742 /nfs/dbraw/zinc/69/97/42/975699742.db2.gz FBSBGNVFILNKRX-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO CC[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806140 975699755 /nfs/dbraw/zinc/69/97/55/975699755.db2.gz FBSBGNVFILNKRX-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO CO[C@](C)(C[NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC001333371173 975719527 /nfs/dbraw/zinc/71/95/27/975719527.db2.gz PKHHGKHZOAKQQG-QPUJVOFHSA-N 1 2 239.319 1.844 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](C(=O)OCC)C1CC1)OC ZINC001333370085 975721833 /nfs/dbraw/zinc/72/18/33/975721833.db2.gz DKBHZQIBNLNLRC-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)no1 ZINC001333399779 975754126 /nfs/dbraw/zinc/75/41/26/975754126.db2.gz COZBYYHNFUBFBP-SCZZXKLOSA-N 1 2 239.319 1.844 20 0 BDADLO C[C@H](C(=O)NC[C@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001333556310 975847469 /nfs/dbraw/zinc/84/74/69/975847469.db2.gz BLLQOSCLPBLVQR-MFKMUULPSA-N 1 2 235.331 1.997 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc(F)c1 ZINC001173832221 975854967 /nfs/dbraw/zinc/85/49/67/975854967.db2.gz BHLXUJIUBPDAOI-UHFFFAOYSA-N 1 2 249.245 1.770 20 0 BDADLO COc1cc2c(cc1OC1COC1)C=[NH+]CC2 ZINC001228088470 975897390 /nfs/dbraw/zinc/89/73/90/975897390.db2.gz WMRAPOUNFHHITI-UHFFFAOYSA-N 1 2 233.267 1.448 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@H](C3CCC3)C2)[nH]1 ZINC001333621364 975899111 /nfs/dbraw/zinc/89/91/11/975899111.db2.gz BWUMHLFZYCMKOT-LLVKDONJSA-N 1 2 220.320 1.817 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)[nH]1 ZINC001333621364 975899103 /nfs/dbraw/zinc/89/91/03/975899103.db2.gz BWUMHLFZYCMKOT-LLVKDONJSA-N 1 2 220.320 1.817 20 0 BDADLO COC(=O)c1ccc(C)cc1OC1C[NH+](C)C1 ZINC001228196324 975990819 /nfs/dbraw/zinc/99/08/19/975990819.db2.gz IPWVEOLIWLMIIU-UHFFFAOYSA-N 1 2 235.283 1.474 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)CCC1CC1)[C@@H](C)O ZINC001333734299 976042691 /nfs/dbraw/zinc/04/26/91/976042691.db2.gz NFWFYUIMMIHZCL-NGZCFLSTSA-N 1 2 229.320 1.077 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCC(=O)CC2)c[nH+]1 ZINC001333778190 976073743 /nfs/dbraw/zinc/07/37/43/976073743.db2.gz FHGMFFZTFGDOSQ-UHFFFAOYSA-N 1 2 249.314 1.118 20 0 BDADLO CC[NH+]1CC(Oc2cnc(F)c(OC)c2)C1 ZINC001228518616 976272290 /nfs/dbraw/zinc/27/22/90/976272290.db2.gz HEURVZTXXRXGGT-UHFFFAOYSA-N 1 2 226.251 1.312 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cnccc1C ZINC001174115840 976330328 /nfs/dbraw/zinc/33/03/28/976330328.db2.gz PIUZSOWLDDDJCA-UHFFFAOYSA-N 1 2 246.270 1.335 20 0 BDADLO COC(=O)[C@H]([NH2+]CCCc1cccnc1)C1CC1 ZINC001334159638 976343847 /nfs/dbraw/zinc/34/38/47/976343847.db2.gz HLWUDVRGFXJCJL-CYBMUJFWSA-N 1 2 248.326 1.555 20 0 BDADLO CC[NH+]1CC(Oc2cnc(F)cc2C)C1 ZINC001228588766 976358217 /nfs/dbraw/zinc/35/82/17/976358217.db2.gz BWYUPOQJWNBBJG-UHFFFAOYSA-N 1 2 210.252 1.612 20 0 BDADLO CC[NH+]1CC(Oc2cccc(C)c2C(=O)OC)C1 ZINC001228727575 976460764 /nfs/dbraw/zinc/46/07/64/976460764.db2.gz YIDCGBYAGUDFRH-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO c1n[nH]cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174293481 976468751 /nfs/dbraw/zinc/46/87/51/976468751.db2.gz DAAVOACSHLHWSP-UHFFFAOYSA-N 1 2 245.286 1.385 20 0 BDADLO CC[NH+]1CC(Oc2nccc3cccnc32)C1 ZINC001228813151 976501708 /nfs/dbraw/zinc/50/17/08/976501708.db2.gz SIHVZZGTEXZFNE-UHFFFAOYSA-N 1 2 229.283 1.713 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)[nH+]c2)[nH]n1 ZINC001334419609 976507765 /nfs/dbraw/zinc/50/77/65/976507765.db2.gz LJBIDWFQQGGBLL-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO COc1cc[nH+]c(Nc2cn(C)nc2C)c1 ZINC001174333715 976546598 /nfs/dbraw/zinc/54/65/98/976546598.db2.gz VMKLHNOKMKDZKF-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO C[C@@H](C(=O)NC[C@]1(C)CC1(F)F)n1cc[nH+]c1 ZINC001334783183 976658227 /nfs/dbraw/zinc/65/82/27/976658227.db2.gz SLJIHYXTPJWSQR-WPRPVWTQSA-N 1 2 243.257 1.606 20 0 BDADLO CO[C@H](C)CCNc1cc(N(C)C)nc[nH+]1 ZINC001335041077 976830425 /nfs/dbraw/zinc/83/04/25/976830425.db2.gz CLSFTMSFVNEPAJ-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO CO[C@H](C)CCNc1cc(N(C)C)[nH+]cn1 ZINC001335041077 976830430 /nfs/dbraw/zinc/83/04/30/976830430.db2.gz CLSFTMSFVNEPAJ-SECBINFHSA-N 1 2 224.308 1.380 20 0 BDADLO C=CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001335284269 976923045 /nfs/dbraw/zinc/92/30/45/976923045.db2.gz QAGGJBPIKQYYPX-UHFFFAOYSA-N 1 2 245.257 1.814 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)o1 ZINC001335298646 976938956 /nfs/dbraw/zinc/93/89/56/976938956.db2.gz MAOBCDRNIUXDKU-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO C[C@@H](C(=O)NC[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC001335324659 976963751 /nfs/dbraw/zinc/96/37/51/976963751.db2.gz NCRUIWUBAJHQNQ-LOWVWBTDSA-N 1 2 233.315 1.751 20 0 BDADLO c1[nH+]cn2ccnc(N3CCC[C@@H]4C[C@@H]43)c12 ZINC001335520490 977114431 /nfs/dbraw/zinc/11/44/31/977114431.db2.gz QWCQLSCWHAYMTJ-ZJUUUORDSA-N 1 2 214.272 1.718 20 0 BDADLO c1nocc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174973435 977169790 /nfs/dbraw/zinc/16/97/90/977169790.db2.gz MNSHWXSFZWAZPM-UHFFFAOYSA-N 1 2 246.270 1.650 20 0 BDADLO CCc1ncoc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001335714999 977238267 /nfs/dbraw/zinc/23/82/67/977238267.db2.gz KZDWGUKUKZNAJA-VIFPVBQESA-N 1 2 248.286 1.252 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)CC1CC1 ZINC001230603240 977265382 /nfs/dbraw/zinc/26/53/82/977265382.db2.gz KBSJLIJEARAWIR-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)CC1CC1 ZINC001230603240 977265397 /nfs/dbraw/zinc/26/53/97/977265397.db2.gz KBSJLIJEARAWIR-NSHDSACASA-N 1 2 228.311 1.289 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+](Cc2ncco2)C1 ZINC000260163488 977288759 /nfs/dbraw/zinc/28/87/59/977288759.db2.gz STFHPDRHQLNLLF-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC000260163488 977288772 /nfs/dbraw/zinc/28/87/72/977288772.db2.gz STFHPDRHQLNLLF-JTQLQIEISA-N 1 2 238.287 1.450 20 0 BDADLO CN(C)c1ccc(Nc2cccnc2CO)c[nH+]1 ZINC001175342931 977367171 /nfs/dbraw/zinc/36/71/71/977367171.db2.gz ZEDUFRYWDXFHQF-UHFFFAOYSA-N 1 2 244.298 1.779 20 0 BDADLO Oc1cc2c(cc1OC[C@H]1CCO1)CC[NH+]=C2 ZINC001230919975 977382209 /nfs/dbraw/zinc/38/22/09/977382209.db2.gz IAMAZWQXKUPMLU-LLVKDONJSA-N 1 2 233.267 1.535 20 0 BDADLO CN(C)c1ccc(Nc2cn(C)nn2)c[nH+]1 ZINC001175340864 977389032 /nfs/dbraw/zinc/38/90/32/977389032.db2.gz LPGJZEPHWZEAML-UHFFFAOYSA-N 1 2 218.264 1.020 20 0 BDADLO CNC(=O)c1cc(Nc2cccc(C)[nH+]2)ccn1 ZINC001175408250 977421278 /nfs/dbraw/zinc/42/12/78/977421278.db2.gz MCQYYFINCWNUMW-UHFFFAOYSA-N 1 2 242.282 1.310 20 0 BDADLO CCC(=O)NCCC[N@H+](C)Cc1cscn1 ZINC001230999963 977421664 /nfs/dbraw/zinc/42/16/64/977421664.db2.gz OCMCUKDXAIDXQI-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO CCC(=O)NCCC[N@@H+](C)Cc1cscn1 ZINC001230999963 977421674 /nfs/dbraw/zinc/42/16/74/977421674.db2.gz OCMCUKDXAIDXQI-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO C[NH+]1CC(Oc2[nH]c(=O)nc3cccc(F)c32)C1 ZINC001231073507 977461540 /nfs/dbraw/zinc/46/15/40/977461540.db2.gz BMEOCHUAGIHDNB-UHFFFAOYSA-N 1 2 249.245 1.167 20 0 BDADLO CC[C@@H](O)C(=O)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080454 977470927 /nfs/dbraw/zinc/47/09/27/977470927.db2.gz DGCIVKHGGGXOLL-LLVKDONJSA-N 1 2 246.266 1.753 20 0 BDADLO CN(c1ccc(CO)cc1)c1[nH+]cccc1N ZINC001175562410 977543391 /nfs/dbraw/zinc/54/33/91/977543391.db2.gz IMUDXDSXRLDMRE-UHFFFAOYSA-N 1 2 229.283 1.924 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc(N=O)cc2)C1 ZINC001231289277 977556006 /nfs/dbraw/zinc/55/60/06/977556006.db2.gz NRXZMTNNEPTPLX-GFCCVEGCSA-N 1 2 236.271 1.794 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc(N=O)cc2)C1 ZINC001231289277 977556013 /nfs/dbraw/zinc/55/60/13/977556013.db2.gz NRXZMTNNEPTPLX-GFCCVEGCSA-N 1 2 236.271 1.794 20 0 BDADLO Cc1cc(O)c(OC2C[NH+](C(C)C)C2)c(O)c1 ZINC001231338941 977569496 /nfs/dbraw/zinc/56/94/96/977569496.db2.gz ZSJQSGDLQSFJPT-UHFFFAOYSA-N 1 2 237.299 1.878 20 0 BDADLO CCc1cc(C[NH2+]Cc2nccn2C2CC2)[nH]n1 ZINC001336252346 977596064 /nfs/dbraw/zinc/59/60/64/977596064.db2.gz CQVGYZMNFWQSAO-UHFFFAOYSA-N 1 2 245.330 1.793 20 0 BDADLO Cc1nc(N)ncc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175663364 977638553 /nfs/dbraw/zinc/63/85/53/977638553.db2.gz CZIOZTWKTMGQOX-UHFFFAOYSA-N 1 2 244.302 1.572 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)Cc2ccno2)n1 ZINC001231675280 977694856 /nfs/dbraw/zinc/69/48/56/977694856.db2.gz PMIMTMRQZQXTRH-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@]23CCOC3)cnc1F ZINC001231929222 977803397 /nfs/dbraw/zinc/80/33/97/977803397.db2.gz BMSIPLWDMSUSGN-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@]23CCOC3)cnc1F ZINC001231929222 977803401 /nfs/dbraw/zinc/80/34/01/977803401.db2.gz BMSIPLWDMSUSGN-CYBMUJFWSA-N 1 2 236.290 1.894 20 0 BDADLO COc1cc[nH+]c(CN2CCCC(=O)C2)c1 ZINC001231969263 977812846 /nfs/dbraw/zinc/81/28/46/977812846.db2.gz ZOHRWIWEPUWNJL-UHFFFAOYSA-N 1 2 220.272 1.255 20 0 BDADLO Cc1cc([N@@H+]2C(=N)SC=C2N)cc(C)c1N ZINC001175931788 977815318 /nfs/dbraw/zinc/81/53/18/977815318.db2.gz KBWLDNXTYIBYPJ-UHFFFAOYSA-N 1 2 234.328 1.800 20 0 BDADLO Cc1cc([N@H+]2C(=N)SC=C2N)cc(C)c1N ZINC001175931788 977815321 /nfs/dbraw/zinc/81/53/21/977815321.db2.gz KBWLDNXTYIBYPJ-UHFFFAOYSA-N 1 2 234.328 1.800 20 0 BDADLO c1[nH]nc2c1cccc2C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231975388 977819666 /nfs/dbraw/zinc/81/96/66/977819666.db2.gz NNNCKSKGEIMNCM-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2c1cccc2C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231975388 977819670 /nfs/dbraw/zinc/81/96/70/977819670.db2.gz NNNCKSKGEIMNCM-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)cc(C)n1 ZINC001232000536 977833998 /nfs/dbraw/zinc/83/39/98/977833998.db2.gz NVDOOKBGQFAUEU-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)N(C)C)cc(C)n1 ZINC001232000536 977834002 /nfs/dbraw/zinc/83/40/02/977834002.db2.gz NVDOOKBGQFAUEU-UHFFFAOYSA-N 1 2 235.331 1.218 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(=O)[nH]n1 ZINC001232026463 977858439 /nfs/dbraw/zinc/85/84/39/977858439.db2.gz PWTAFEMLQYMTQY-NSHDSACASA-N 1 2 237.303 1.039 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(=O)[nH]n1 ZINC001232026463 977858443 /nfs/dbraw/zinc/85/84/43/977858443.db2.gz PWTAFEMLQYMTQY-NSHDSACASA-N 1 2 237.303 1.039 20 0 BDADLO Cc1noc(NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC001336693152 977859828 /nfs/dbraw/zinc/85/98/28/977859828.db2.gz OWEJBZPMOXVGAE-GFCCVEGCSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1noc(NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC001336693152 977859831 /nfs/dbraw/zinc/85/98/31/977859831.db2.gz OWEJBZPMOXVGAE-GFCCVEGCSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1cc(F)cc(N2CCc3ncncc3C2)[nH+]1 ZINC001336710764 977875157 /nfs/dbraw/zinc/87/51/57/977875157.db2.gz KMWZGBMKYGYUEF-UHFFFAOYSA-N 1 2 244.273 1.882 20 0 BDADLO COC(=O)c1onc(C)c1Nc1[nH]cc[nH+]1 ZINC001176082213 977879429 /nfs/dbraw/zinc/87/94/29/977879429.db2.gz ZNWXSAKTZWYKQL-UHFFFAOYSA-N 1 2 222.204 1.236 20 0 BDADLO O=c1cc(Nc2[nH]cc[nH+]2)nc(Cl)[nH]1 ZINC001176082116 977880677 /nfs/dbraw/zinc/88/06/77/977880677.db2.gz UQMLYSGEMRBVOC-UHFFFAOYSA-N 1 2 211.612 1.302 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)[nH]1 ZINC001232072719 977882294 /nfs/dbraw/zinc/88/22/94/977882294.db2.gz GDGXICWZIYOVEQ-BDAKNGLRSA-N 1 2 240.278 1.734 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)[nH]1 ZINC001232072719 977882296 /nfs/dbraw/zinc/88/22/96/977882296.db2.gz GDGXICWZIYOVEQ-BDAKNGLRSA-N 1 2 240.278 1.734 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc3ccncc3[nH]2)C1 ZINC001232089903 977887619 /nfs/dbraw/zinc/88/76/19/977887619.db2.gz GNZMZFBYJDVXBX-UHFFFAOYSA-N 1 2 245.282 1.168 20 0 BDADLO COc1cc2ccn(-c3[nH]cc[nH+]3)c2c(N)c1 ZINC001176090989 977893271 /nfs/dbraw/zinc/89/32/71/977893271.db2.gz UNEQJTRWGFTPGU-UHFFFAOYSA-N 1 2 228.255 1.944 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ncsc1C ZINC001232208502 977936377 /nfs/dbraw/zinc/93/63/77/977936377.db2.gz XLGAPYJYXKRHES-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ncsc1C ZINC001232208502 977936382 /nfs/dbraw/zinc/93/63/82/977936382.db2.gz XLGAPYJYXKRHES-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO COc1cc[nH+]cc1Nc1ncccc1O ZINC001176117217 977944740 /nfs/dbraw/zinc/94/47/40/977944740.db2.gz VZAIIAVYJHQQKR-UHFFFAOYSA-N 1 2 217.228 1.934 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(N)cn1 ZINC001176117890 977944972 /nfs/dbraw/zinc/94/49/72/977944972.db2.gz BMUGHNJUUGDVII-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO COc1cc[nH+]cc1Nc1nonc1C ZINC001176116352 977945323 /nfs/dbraw/zinc/94/53/23/977945323.db2.gz ANTZIYHZQXPRBA-UHFFFAOYSA-N 1 2 206.205 1.525 20 0 BDADLO Cc1c[nH+]c(Nc2ccc(=O)[nH]c2)c(N)c1 ZINC001176126840 977966952 /nfs/dbraw/zinc/96/69/52/977966952.db2.gz XRNHSQQCCXTJOQ-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO Fc1ccc(CC[NH2+]Cc2cn[nH]n2)cc1 ZINC001336835809 977994778 /nfs/dbraw/zinc/99/47/78/977994778.db2.gz AQMRJHXKCRCRDE-UHFFFAOYSA-N 1 2 220.251 1.276 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc(N)nc2)CCC1=O ZINC001232368939 978042525 /nfs/dbraw/zinc/04/25/25/978042525.db2.gz JCAAWLDJWBPBAL-UHFFFAOYSA-N 1 2 233.315 1.465 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc(N)nc2)CCC1=O ZINC001232368939 978042534 /nfs/dbraw/zinc/04/25/34/978042534.db2.gz JCAAWLDJWBPBAL-UHFFFAOYSA-N 1 2 233.315 1.465 20 0 BDADLO CC1C[NH+](Cc2cn3cc(F)ccc3n2)C1 ZINC001232409572 978050056 /nfs/dbraw/zinc/05/00/56/978050056.db2.gz LHHYMQWNNBAZBR-UHFFFAOYSA-N 1 2 219.263 1.925 20 0 BDADLO Cc1n[nH]nc1NC(=O)c1cccc2[nH+]ccn21 ZINC001595418666 978058161 /nfs/dbraw/zinc/05/81/61/978058161.db2.gz QIDRKBNGTNPTHD-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2[nH]nc3c2CCC3)CCO1 ZINC001232433466 978078853 /nfs/dbraw/zinc/07/88/53/978078853.db2.gz YRZWQCNHJRJHQX-AWEZNQCLSA-N 1 2 249.358 1.755 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)CCO1 ZINC001232433466 978078857 /nfs/dbraw/zinc/07/88/57/978078857.db2.gz YRZWQCNHJRJHQX-AWEZNQCLSA-N 1 2 249.358 1.755 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232443391 978080842 /nfs/dbraw/zinc/08/08/42/978080842.db2.gz YCQQKEHXMAVGCU-SSDOTTSWSA-N 1 2 235.205 1.865 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232443391 978080852 /nfs/dbraw/zinc/08/08/52/978080852.db2.gz YCQQKEHXMAVGCU-SSDOTTSWSA-N 1 2 235.205 1.865 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H](C)[C@H](F)C2)c[nH+]1 ZINC001232460045 978088082 /nfs/dbraw/zinc/08/80/82/978088082.db2.gz LUHNOAFZWNAWRI-LDYMZIIASA-N 1 2 211.284 1.898 20 0 BDADLO Cc1ccc(C)c(Nc2cnn(CCO)c2)[nH+]1 ZINC001176471994 978090715 /nfs/dbraw/zinc/09/07/15/978090715.db2.gz RHIKUOVXTKALSQ-UHFFFAOYSA-N 1 2 232.287 1.631 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC001232464237 978106779 /nfs/dbraw/zinc/10/67/79/978106779.db2.gz WFHOHPUMCYGRJB-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC001232464237 978106786 /nfs/dbraw/zinc/10/67/86/978106786.db2.gz WFHOHPUMCYGRJB-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO Cc1nc2c(s1)CN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001232465320 978109065 /nfs/dbraw/zinc/10/90/65/978109065.db2.gz IPRIUBNSDAKSKI-UHFFFAOYSA-N 1 2 234.328 1.999 20 0 BDADLO Cc1nc2c(s1)CN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001232465320 978109074 /nfs/dbraw/zinc/10/90/74/978109074.db2.gz IPRIUBNSDAKSKI-UHFFFAOYSA-N 1 2 234.328 1.999 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cnccn2)c[nH+]1 ZINC001232463393 978110051 /nfs/dbraw/zinc/11/00/51/978110051.db2.gz HUROHIQNXITJIN-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2cnccn2)[nH+]1 ZINC001232463393 978110062 /nfs/dbraw/zinc/11/00/62/978110062.db2.gz HUROHIQNXITJIN-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1[nH]c(CN2CCCC3(C2)OCCO3)c[nH+]1 ZINC001232465194 978110739 /nfs/dbraw/zinc/11/07/39/978110739.db2.gz YDAIUTKGTQQPDV-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO Cc1[nH]cc(CN2CCCC3(C2)OCCO3)[nH+]1 ZINC001232465194 978110748 /nfs/dbraw/zinc/11/07/48/978110748.db2.gz YDAIUTKGTQQPDV-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001176515713 978114763 /nfs/dbraw/zinc/11/47/63/978114763.db2.gz MATLDWBVQFWQNE-CMPLNLGQSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001176515713 978114775 /nfs/dbraw/zinc/11/47/75/978114775.db2.gz MATLDWBVQFWQNE-CMPLNLGQSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001337012020 978126236 /nfs/dbraw/zinc/12/62/36/978126236.db2.gz OCEWEJKSELYOSC-RKDXNWHRSA-N 1 2 213.256 1.136 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(F)c1 ZINC001277671119 978135980 /nfs/dbraw/zinc/13/59/80/978135980.db2.gz CSHWXFYBTLFNQZ-RISCZKNCSA-N 1 2 248.301 1.584 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(F)c1 ZINC001277671119 978135984 /nfs/dbraw/zinc/13/59/84/978135984.db2.gz CSHWXFYBTLFNQZ-RISCZKNCSA-N 1 2 248.301 1.584 20 0 BDADLO COCC[N@H+](C)Cc1c(OC)cncc1OC ZINC001232500897 978151699 /nfs/dbraw/zinc/15/16/99/978151699.db2.gz QOWFEQVMFSAUBB-UHFFFAOYSA-N 1 2 240.303 1.177 20 0 BDADLO COCC[N@@H+](C)Cc1c(OC)cncc1OC ZINC001232500897 978151707 /nfs/dbraw/zinc/15/17/07/978151707.db2.gz QOWFEQVMFSAUBB-UHFFFAOYSA-N 1 2 240.303 1.177 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCOC(C)(C)C2)cc[nH+]1 ZINC001337075416 978153852 /nfs/dbraw/zinc/15/38/52/978153852.db2.gz CUDWJGWZRBYVJA-LLVKDONJSA-N 1 2 248.326 1.956 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1cccc(CF)n1 ZINC001232540435 978167069 /nfs/dbraw/zinc/16/70/69/978167069.db2.gz FNFLTLSEENJZFQ-UHFFFAOYSA-N 1 2 246.289 1.973 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1cccc(CF)n1 ZINC001232540435 978167075 /nfs/dbraw/zinc/16/70/75/978167075.db2.gz FNFLTLSEENJZFQ-UHFFFAOYSA-N 1 2 246.289 1.973 20 0 BDADLO Cn1nncc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750519 978170015 /nfs/dbraw/zinc/17/00/15/978170015.db2.gz WYGVWXSLYWJBCG-UHFFFAOYSA-N 1 2 244.302 1.554 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1nnnn1C ZINC001176788372 978177768 /nfs/dbraw/zinc/17/77/68/978177768.db2.gz VMIOFUWILNJICD-IUCAKERBSA-N 1 2 249.293 1.761 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc3ccoc3cn2)C1 ZINC001232549716 978178505 /nfs/dbraw/zinc/17/85/05/978178505.db2.gz LAVLUTMPKVMHFE-UHFFFAOYSA-N 1 2 246.266 1.433 20 0 BDADLO C[C@@]1(F)CCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001176829574 978191771 /nfs/dbraw/zinc/19/17/71/978191771.db2.gz UYXJQVBWZBYUIC-GFCCVEGCSA-N 1 2 239.294 1.693 20 0 BDADLO Cc1cc(O)cc(C)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176832505 978197369 /nfs/dbraw/zinc/19/73/69/978197369.db2.gz SKEDYWHJXUFCHV-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc2oncc2c1 ZINC001176832470 978199039 /nfs/dbraw/zinc/19/90/39/978199039.db2.gz RZZCSWGUJZYPNE-UHFFFAOYSA-N 1 2 242.238 1.732 20 0 BDADLO CCOC1C[NH+](Cc2cncc3cnccc32)C1 ZINC001232650050 978208853 /nfs/dbraw/zinc/20/88/53/978208853.db2.gz QMELJOIBWFEHCV-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1c[nH]c2ncncc12 ZINC001232654773 978209798 /nfs/dbraw/zinc/20/97/98/978209798.db2.gz PSEIVFXRSAMHRR-SECBINFHSA-N 1 2 244.298 1.463 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1c[nH]c2ncncc12 ZINC001232654773 978209806 /nfs/dbraw/zinc/20/98/06/978209806.db2.gz PSEIVFXRSAMHRR-SECBINFHSA-N 1 2 244.298 1.463 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC001232670807 978224473 /nfs/dbraw/zinc/22/44/73/978224473.db2.gz HLVZVELTSLWYRH-SNVBAGLBSA-N 1 2 233.315 1.049 20 0 BDADLO CNc1ccccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC001232670807 978224482 /nfs/dbraw/zinc/22/44/82/978224482.db2.gz HLVZVELTSLWYRH-SNVBAGLBSA-N 1 2 233.315 1.049 20 0 BDADLO Nc1cc(N[C@H](c2ncccn2)C2CC2)[nH+]cn1 ZINC001337266727 978254941 /nfs/dbraw/zinc/25/49/41/978254941.db2.gz MCWKICFNNXBHHE-NSHDSACASA-N 1 2 242.286 1.412 20 0 BDADLO Cc1[nH]c(CNc2nnc(C)c(C)n2)[nH+]c1C ZINC001337268700 978257910 /nfs/dbraw/zinc/25/79/10/978257910.db2.gz OPJNVCOWTMOAIG-UHFFFAOYSA-N 1 2 232.291 1.440 20 0 BDADLO Cc1nc(N2CC(F)(F)CC[C@@H]2C)nc(N)[nH+]1 ZINC001337325485 978283632 /nfs/dbraw/zinc/28/36/32/978283632.db2.gz QDPCBZOZPGOTGJ-LURJTMIESA-N 1 2 243.261 1.386 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(O)c1 ZINC001232880604 978318985 /nfs/dbraw/zinc/31/89/85/978318985.db2.gz OYSQYSKVHJFNNT-ZDUSSCGKSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)cc(O)c1 ZINC001232880604 978318991 /nfs/dbraw/zinc/31/89/91/978318991.db2.gz OYSQYSKVHJFNNT-ZDUSSCGKSA-N 1 2 249.310 1.838 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCSC1 ZINC001337443916 978343652 /nfs/dbraw/zinc/34/36/52/978343652.db2.gz DRXKGWOJDKISEF-UHFFFAOYSA-N 1 2 225.317 1.196 20 0 BDADLO CC/C=C/NC(=O)CN(C)c1cccc[nH+]1 ZINC001177417139 978350111 /nfs/dbraw/zinc/35/01/11/978350111.db2.gz MBLLKKKAIHZVGK-XBXARRHUSA-N 1 2 219.288 1.558 20 0 BDADLO CN(CC(=O)NC(C)(C)C1CC1)c1cccc[nH+]1 ZINC001177414241 978352534 /nfs/dbraw/zinc/35/25/34/978352534.db2.gz XSZNKOHNDRPLHO-UHFFFAOYSA-N 1 2 247.342 1.823 20 0 BDADLO COCC[N@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232969579 978371465 /nfs/dbraw/zinc/37/14/65/978371465.db2.gz UERDZYPWUIEIBB-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO COCC[N@@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232969579 978371479 /nfs/dbraw/zinc/37/14/79/978371479.db2.gz UERDZYPWUIEIBB-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO CC[C@@H](F)C(=O)Nc1c(C)c[nH+]cc1C ZINC001337508902 978381831 /nfs/dbraw/zinc/38/18/31/978381831.db2.gz IUPUZLSXGQEEEU-SECBINFHSA-N 1 2 210.252 1.807 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCO1 ZINC001337510543 978382483 /nfs/dbraw/zinc/38/24/83/978382483.db2.gz RMIKSAKWTQSJIS-SNVBAGLBSA-N 1 2 220.272 1.238 20 0 BDADLO Cc1cc(C)c(C[NH+]2CCOCC2)cn1 ZINC001233006544 978397855 /nfs/dbraw/zinc/39/78/55/978397855.db2.gz CMUKNFHDAAJPDP-UHFFFAOYSA-N 1 2 206.289 1.531 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCCNC(=O)C2)cn1 ZINC001233008196 978398864 /nfs/dbraw/zinc/39/88/64/978398864.db2.gz MISRMGDLQLNSFK-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCCNC(=O)C2)cn1 ZINC001233008196 978398871 /nfs/dbraw/zinc/39/88/71/978398871.db2.gz MISRMGDLQLNSFK-UHFFFAOYSA-N 1 2 233.315 1.020 20 0 BDADLO CCn1c[nH+]cc1CNc1ccn(CCOC)n1 ZINC001177889822 978470299 /nfs/dbraw/zinc/47/02/99/978470299.db2.gz NZHALAILDNNYTP-UHFFFAOYSA-N 1 2 249.318 1.358 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cnc1C ZINC001233156001 978475965 /nfs/dbraw/zinc/47/59/65/978475965.db2.gz FCXNETXFODYHRH-OLZOCXBDSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)cnc1C ZINC001233156001 978475974 /nfs/dbraw/zinc/47/59/74/978475974.db2.gz FCXNETXFODYHRH-OLZOCXBDSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C=Cc2ccc[nH]2)[nH+]1 ZINC001177937476 978480323 /nfs/dbraw/zinc/48/03/23/978480323.db2.gz CZCFQSDAFAZNKL-SNAWJCMRSA-N 1 2 244.298 1.418 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(CC(F)F)C1CCC1 ZINC001178016660 978485126 /nfs/dbraw/zinc/48/51/26/978485126.db2.gz WMBLGGFHDJPZMU-SNVBAGLBSA-N 1 2 246.301 1.727 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cnccn1 ZINC001177998430 978485965 /nfs/dbraw/zinc/48/59/65/978485965.db2.gz RZJJCABQDZPEKO-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO Cc1c(NC(=O)CCc2[nH]cc[nH+]2)ncn1C ZINC001177994154 978493293 /nfs/dbraw/zinc/49/32/93/978493293.db2.gz RRUVEHJSOBUSPJ-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(C)c(O)c2)C1 ZINC001233233806 978502296 /nfs/dbraw/zinc/50/22/96/978502296.db2.gz QHFYQZBDPPDIRE-UHFFFAOYSA-N 1 2 249.310 1.696 20 0 BDADLO Cc1ccc(CN2CCn3c[nH+]cc3C2)cc1O ZINC001233234217 978507520 /nfs/dbraw/zinc/50/75/20/978507520.db2.gz NTUWYHJOPBFLNH-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO COCOc1cccc(C[NH+]2CC(OC)C2)c1 ZINC001233278900 978527753 /nfs/dbraw/zinc/52/77/53/978527753.db2.gz JUHVLVNNVFUPCO-UHFFFAOYSA-N 1 2 237.299 1.500 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H](c2ccccn2)C2CC2)C1 ZINC001178241979 978530638 /nfs/dbraw/zinc/53/06/38/978530638.db2.gz HQSICFCRTCONMQ-ZDUSSCGKSA-N 1 2 245.326 1.005 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@H]1F ZINC001204214125 978538420 /nfs/dbraw/zinc/53/84/20/978538420.db2.gz HTCGBCBRALDGTE-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@H]1F ZINC001204214125 978538430 /nfs/dbraw/zinc/53/84/30/978538430.db2.gz HTCGBCBRALDGTE-NEPJUHHUSA-N 1 2 245.244 1.870 20 0 BDADLO CCn1cc([C@H](C)Nc2cc(N)nc[nH+]2)cn1 ZINC001337892283 978552077 /nfs/dbraw/zinc/55/20/77/978552077.db2.gz JIFUDKSYQBPJDZ-QMMMGPOBSA-N 1 2 232.291 1.448 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(O)cn2)c(C)[nH+]1 ZINC001178446337 978563904 /nfs/dbraw/zinc/56/39/04/978563904.db2.gz ORCIXSOVCLERRP-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)o1 ZINC001233365624 978575648 /nfs/dbraw/zinc/57/56/48/978575648.db2.gz XZXDYRWRDDNDPG-ZJUUUORDSA-N 1 2 244.241 1.449 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)o1 ZINC001233365624 978575653 /nfs/dbraw/zinc/57/56/53/978575653.db2.gz XZXDYRWRDDNDPG-ZJUUUORDSA-N 1 2 244.241 1.449 20 0 BDADLO c1cn2c(cccc2CN2C[C@H]3C[C@@H](C2)O3)[nH+]1 ZINC001233363525 978577465 /nfs/dbraw/zinc/57/74/65/978577465.db2.gz LADCJNXSKYFBGJ-TXEJJXNPSA-N 1 2 229.283 1.307 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccc(N)n2)CCC1=O ZINC001233369670 978585665 /nfs/dbraw/zinc/58/56/65/978585665.db2.gz YBRYUVFVUKAXSS-JTQLQIEISA-N 1 2 233.315 1.465 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccc(N)n2)CCC1=O ZINC001233369670 978585669 /nfs/dbraw/zinc/58/56/69/978585669.db2.gz YBRYUVFVUKAXSS-JTQLQIEISA-N 1 2 233.315 1.465 20 0 BDADLO C[C@H]1CCN(Cc2cccc(N)[nH+]2)CCC1=O ZINC001233369670 978585670 /nfs/dbraw/zinc/58/56/70/978585670.db2.gz YBRYUVFVUKAXSS-JTQLQIEISA-N 1 2 233.315 1.465 20 0 BDADLO CCc1[nH]c(CNC(=O)C=Cc2ccc[nH]2)c[nH+]1 ZINC001178669374 978605334 /nfs/dbraw/zinc/60/53/34/978605334.db2.gz HNYCFIRTBDKTCO-WAYWQWQTSA-N 1 2 244.298 1.630 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=Cc2ccc[nH]2)[nH+]1 ZINC001178669374 978605339 /nfs/dbraw/zinc/60/53/39/978605339.db2.gz HNYCFIRTBDKTCO-WAYWQWQTSA-N 1 2 244.298 1.630 20 0 BDADLO CCc1[nH]c(CNC(=O)Cc2cc(C)on2)c[nH+]1 ZINC001178669074 978606421 /nfs/dbraw/zinc/60/64/21/978606421.db2.gz CHQSNPHGZKKGAI-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CCc1[nH]cc(CNC(=O)Cc2cc(C)on2)[nH+]1 ZINC001178669074 978606423 /nfs/dbraw/zinc/60/64/23/978606423.db2.gz CHQSNPHGZKKGAI-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cncc(Cl)n1 ZINC001233447083 978607624 /nfs/dbraw/zinc/60/76/24/978607624.db2.gz STKPURGZTOFFTP-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cncc(Cl)n1 ZINC001233447083 978607632 /nfs/dbraw/zinc/60/76/32/978607632.db2.gz STKPURGZTOFFTP-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H](C(=O)N[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC001178729575 978625095 /nfs/dbraw/zinc/62/50/95/978625095.db2.gz CNRNKDZAAQMKFI-HOSYDEDBSA-N 1 2 219.288 1.503 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001338186845 978629069 /nfs/dbraw/zinc/62/90/69/978629069.db2.gz HGYFFVDNRXULGV-RKDXNWHRSA-N 1 2 246.270 1.757 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001338186845 978629075 /nfs/dbraw/zinc/62/90/75/978629075.db2.gz HGYFFVDNRXULGV-RKDXNWHRSA-N 1 2 246.270 1.757 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2F)cc(C)[nH+]1 ZINC001338198169 978633508 /nfs/dbraw/zinc/63/35/08/978633508.db2.gz GXFWAQYHUILIBT-GHMZBOCLSA-N 1 2 222.263 1.673 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2C[C@@H]2F)cc(C)[nH+]1 ZINC001338198177 978633779 /nfs/dbraw/zinc/63/37/79/978633779.db2.gz GXFWAQYHUILIBT-QWRGUYRKSA-N 1 2 222.263 1.673 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)C2)sc1C ZINC001233646318 978659330 /nfs/dbraw/zinc/65/93/30/978659330.db2.gz ODHJJNLBBYRXQY-UHFFFAOYSA-N 1 2 224.329 1.297 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)C2)sc1C ZINC001233646318 978659335 /nfs/dbraw/zinc/65/93/35/978659335.db2.gz ODHJJNLBBYRXQY-UHFFFAOYSA-N 1 2 224.329 1.297 20 0 BDADLO CCOC(=O)C[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC001338404046 978676442 /nfs/dbraw/zinc/67/64/42/978676442.db2.gz SEUNMLMLNRIZHT-LLVKDONJSA-N 1 2 249.314 1.707 20 0 BDADLO CCCn1c[nH+]cc1CNc1nn[nH]c1C ZINC001179640918 978739020 /nfs/dbraw/zinc/73/90/20/978739020.db2.gz DUWLAKWKEFPIMC-UHFFFAOYSA-N 1 2 220.280 1.332 20 0 BDADLO C[NH+]1CC(Oc2cccc(OC(F)F)c2)C1 ZINC001233963514 978740919 /nfs/dbraw/zinc/74/09/19/978740919.db2.gz QEZKNJHGKMUASP-UHFFFAOYSA-N 1 2 229.226 1.981 20 0 BDADLO O=c1[nH]cc(C[NH+]2CCOCC2)c2ccccc12 ZINC001233963984 978742322 /nfs/dbraw/zinc/74/23/22/978742322.db2.gz HFZQQQHYBOOEDM-UHFFFAOYSA-N 1 2 244.294 1.773 20 0 BDADLO c1n[nH]c(C[NH2+][C@H]2CCCc3ccccc3C2)n1 ZINC001179842608 978763512 /nfs/dbraw/zinc/76/35/12/978763512.db2.gz QDJXBJFVQZEVFC-ZDUSSCGKSA-N 1 2 242.326 1.842 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000069847480 978763609 /nfs/dbraw/zinc/76/36/09/978763609.db2.gz NHYPOOOLIWXJNY-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO CC1=NO[C@](C)(C(=O)Nc2c(C)c[nH+]cc2C)C1 ZINC001338992011 978768219 /nfs/dbraw/zinc/76/82/19/978768219.db2.gz KDEYTIUHKOGTMJ-ZDUSSCGKSA-N 1 2 247.298 1.614 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@]1(F)CCOC1 ZINC001338993214 978769267 /nfs/dbraw/zinc/76/92/67/978769267.db2.gz QWCDRNVDESDDDK-GFCCVEGCSA-N 1 2 238.262 1.187 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1F ZINC001339100316 978792353 /nfs/dbraw/zinc/79/23/53/978792353.db2.gz MWVXAJHXHXNBRM-UPJWGTAASA-N 1 2 248.301 1.647 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1F ZINC001339100316 978792360 /nfs/dbraw/zinc/79/23/60/978792360.db2.gz MWVXAJHXHXNBRM-UPJWGTAASA-N 1 2 248.301 1.647 20 0 BDADLO COc1ccnnc1OC1C[NH+](C(C)(C)C)C1 ZINC001234415686 978829262 /nfs/dbraw/zinc/82/92/62/978829262.db2.gz HKPSMIMRCUIJNQ-UHFFFAOYSA-N 1 2 237.303 1.347 20 0 BDADLO C=C(F)C(=O)NCCOc1cc[nH+]cc1 ZINC001180122411 978831889 /nfs/dbraw/zinc/83/18/89/978831889.db2.gz WSXZASRKBAGGHK-UHFFFAOYSA-N 1 2 210.208 1.060 20 0 BDADLO Cc1noc(C2CC2)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001339388449 978843811 /nfs/dbraw/zinc/84/38/11/978843811.db2.gz JPGCRNQWEJNZFS-UHFFFAOYSA-N 1 2 246.270 1.765 20 0 BDADLO CCOC(=[NH2+])c1ccc(O[C@@H]2CCOC2=O)cc1 ZINC001234584205 978865338 /nfs/dbraw/zinc/86/53/38/978865338.db2.gz AMXMIQGFBHKLMI-LLVKDONJSA-N 1 2 249.266 1.743 20 0 BDADLO CCc1ccc(N2CCC[C@H](CC(N)=O)C2)[nH+]c1 ZINC001339609949 978878564 /nfs/dbraw/zinc/87/85/64/978878564.db2.gz ISDOEQNQNBKRPP-GFCCVEGCSA-N 1 2 247.342 1.736 20 0 BDADLO CCc1cc(OC2C[NH+](C(C)C)C2)no1 ZINC001234651158 978888958 /nfs/dbraw/zinc/88/89/58/978888958.db2.gz UFAIFDGIEKYDNO-UHFFFAOYSA-N 1 2 210.277 1.708 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](CC(N)=O)C2)[nH+]1 ZINC001339723061 978901123 /nfs/dbraw/zinc/90/11/23/978901123.db2.gz USBZONDVWBHUHM-SECBINFHSA-N 1 2 237.278 1.231 20 0 BDADLO CCc1ccc(N2CC[C@H](O)C(F)(F)C2)[nH+]c1 ZINC001339769275 978907945 /nfs/dbraw/zinc/90/79/45/978907945.db2.gz GWVWVTXJBULPEC-JTQLQIEISA-N 1 2 242.269 1.850 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001339863015 978929869 /nfs/dbraw/zinc/92/98/69/978929869.db2.gz XGTSZLAXJFVUNZ-LBPRGKRZSA-N 1 2 248.326 1.823 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001339863015 978929871 /nfs/dbraw/zinc/92/98/71/978929871.db2.gz XGTSZLAXJFVUNZ-LBPRGKRZSA-N 1 2 248.326 1.823 20 0 BDADLO C[C@@H](O)C(C)(C)CNc1cc(CO)cc[nH+]1 ZINC001339870559 978931774 /nfs/dbraw/zinc/93/17/74/978931774.db2.gz QUIKTBKAGCMOAJ-SECBINFHSA-N 1 2 224.304 1.393 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001180755881 978940007 /nfs/dbraw/zinc/94/00/07/978940007.db2.gz DLABLSSUEPAXMY-VIFPVBQESA-N 1 2 240.328 1.326 20 0 BDADLO Cc1csc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001180755881 978940010 /nfs/dbraw/zinc/94/00/10/978940010.db2.gz DLABLSSUEPAXMY-VIFPVBQESA-N 1 2 240.328 1.326 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cn2)CCC[C@@H]1O ZINC001235004239 978948602 /nfs/dbraw/zinc/94/86/02/978948602.db2.gz JELWRGCKAAMQAM-ONGXEEELSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cn2)CCC[C@@H]1O ZINC001235004239 978948605 /nfs/dbraw/zinc/94/86/05/978948605.db2.gz JELWRGCKAAMQAM-ONGXEEELSA-N 1 2 239.294 1.209 20 0 BDADLO Cc1cnc(CNC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001339984513 978952156 /nfs/dbraw/zinc/95/21/56/978952156.db2.gz ZEWOAFSXTQKGTN-VIFPVBQESA-N 1 2 234.259 1.057 20 0 BDADLO [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235160305 978984192 /nfs/dbraw/zinc/98/41/92/978984192.db2.gz RUYPHOUHKPXBAV-SMDDNHRTSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235160305 978984199 /nfs/dbraw/zinc/98/41/99/978984199.db2.gz RUYPHOUHKPXBAV-SMDDNHRTSA-N 1 2 246.310 1.308 20 0 BDADLO CC(=O)C[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001181252201 979021225 /nfs/dbraw/zinc/02/12/25/979021225.db2.gz SKCDGOZPWKCQCJ-VIFPVBQESA-N 1 2 245.282 1.888 20 0 BDADLO COc1cc(C[N@H+](C)[C@@H]2CCOC2)c(F)cn1 ZINC001235315947 979022715 /nfs/dbraw/zinc/02/27/15/979022715.db2.gz ILPMKUAWBQPNFS-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COc1cc(C[N@@H+](C)[C@@H]2CCOC2)c(F)cn1 ZINC001235315947 979022720 /nfs/dbraw/zinc/02/27/20/979022720.db2.gz ILPMKUAWBQPNFS-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(S)cc2)C1 ZINC001206446338 979028511 /nfs/dbraw/zinc/02/85/11/979028511.db2.gz UEQOINYWUJTDNF-WDEREUQCSA-N 1 2 240.347 1.846 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCNC[C@H]2CO)cc1C ZINC001235442118 979046758 /nfs/dbraw/zinc/04/67/58/979046758.db2.gz HNRQFSGXSIJKAZ-HNNXBMFYSA-N 1 2 248.370 1.378 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCNC[C@H]2CO)cc1C ZINC001235442118 979046767 /nfs/dbraw/zinc/04/67/67/979046767.db2.gz HNRQFSGXSIJKAZ-HNNXBMFYSA-N 1 2 248.370 1.378 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncc(F)c2Cl)C[C@@H]1O ZINC001235489988 979052684 /nfs/dbraw/zinc/05/26/84/979052684.db2.gz WSDOTMHXNUWCPR-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncc(F)c2Cl)C[C@@H]1O ZINC001235489988 979052692 /nfs/dbraw/zinc/05/26/92/979052692.db2.gz WSDOTMHXNUWCPR-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO COc1cncc(C[N@@H+]2CCC[C@H]2C(C)=O)c1C ZINC001235472094 979052780 /nfs/dbraw/zinc/05/27/80/979052780.db2.gz CHOJERZFKVUKGL-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO COc1cncc(C[N@H+]2CCC[C@H]2C(C)=O)c1C ZINC001235472094 979052783 /nfs/dbraw/zinc/05/27/83/979052783.db2.gz CHOJERZFKVUKGL-ZDUSSCGKSA-N 1 2 248.326 1.952 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCn2cccc2C1 ZINC001235545122 979085314 /nfs/dbraw/zinc/08/53/14/979085314.db2.gz WPAISTWPAAIHJA-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCn2cccc2C1 ZINC001235545122 979085327 /nfs/dbraw/zinc/08/53/27/979085327.db2.gz WPAISTWPAAIHJA-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1ncn(C)c1C[N@H+](C)Cc1ccccn1 ZINC001235540205 979087268 /nfs/dbraw/zinc/08/72/68/979087268.db2.gz IOJAMLSKJNZNSZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ncn(C)c1C[N@@H+](C)Cc1ccccn1 ZINC001235540205 979087285 /nfs/dbraw/zinc/08/72/85/979087285.db2.gz IOJAMLSKJNZNSZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCC(=O)C(F)(F)C1 ZINC001235553270 979092261 /nfs/dbraw/zinc/09/22/61/979092261.db2.gz ORZKZEFSVMJOBL-UHFFFAOYSA-N 1 2 243.257 1.139 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCc2ncn(C)c2C1 ZINC001235557690 979100595 /nfs/dbraw/zinc/10/05/95/979100595.db2.gz WNNSTDWJFLSPDC-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCc2ncn(C)c2C1 ZINC001235557690 979100605 /nfs/dbraw/zinc/10/06/05/979100605.db2.gz WNNSTDWJFLSPDC-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO Cc1[nH+]cn(C)c1CN(C)CC(F)F ZINC001235569366 979100901 /nfs/dbraw/zinc/10/09/01/979100901.db2.gz RATIGXRPZVJBDN-UHFFFAOYSA-N 1 2 203.236 1.425 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CC12CC2 ZINC001340811020 979116156 /nfs/dbraw/zinc/11/61/56/979116156.db2.gz URBKWIKLWDPKFM-SNVBAGLBSA-N 1 2 216.284 1.859 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2[NH2+]CCc3occc32)n1 ZINC001340875871 979137945 /nfs/dbraw/zinc/13/79/45/979137945.db2.gz KJECKDMUDFXWDP-SNVBAGLBSA-N 1 2 246.270 1.137 20 0 BDADLO COC(=O)c1cccc2c1C[N@H+](CCCO)C2 ZINC001235792656 979150430 /nfs/dbraw/zinc/15/04/30/979150430.db2.gz YMDANJCVEYIUHX-UHFFFAOYSA-N 1 2 235.283 1.171 20 0 BDADLO COC(=O)c1cccc2c1C[N@@H+](CCCO)C2 ZINC001235792656 979150436 /nfs/dbraw/zinc/15/04/36/979150436.db2.gz YMDANJCVEYIUHX-UHFFFAOYSA-N 1 2 235.283 1.171 20 0 BDADLO Cc1nc(F)ccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001235810949 979152878 /nfs/dbraw/zinc/15/28/78/979152878.db2.gz OGYCKWGJWZHXSH-UHFFFAOYSA-N 1 2 236.290 1.486 20 0 BDADLO [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980693 979247181 /nfs/dbraw/zinc/24/71/81/979247181.db2.gz NEVQBVOSIVHWSO-OCCSQVGLSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980693 979247188 /nfs/dbraw/zinc/24/71/88/979247188.db2.gz NEVQBVOSIVHWSO-OCCSQVGLSA-N 1 2 246.310 1.308 20 0 BDADLO CCC(CC)(CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC001595057446 979300718 /nfs/dbraw/zinc/30/07/18/979300718.db2.gz XLQBXGYIAIKFQA-UHFFFAOYSA-N 1 2 239.319 1.506 20 0 BDADLO Cc1ccc(-n2cnc(N)c3ncnc2-3)c(C)[nH+]1 ZINC001203368186 979326739 /nfs/dbraw/zinc/32/67/39/979326739.db2.gz VWUJBBRHXVLZAW-UHFFFAOYSA-N 1 2 240.270 1.361 20 0 BDADLO CC[C@@H](CC(C)C)C(=O)NC1C[NH+](C)C1 ZINC001181842603 979332994 /nfs/dbraw/zinc/33/29/94/979332994.db2.gz LRWZFMIAUNETJI-JTQLQIEISA-N 1 2 212.337 1.489 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nonc1C ZINC001181992948 979398946 /nfs/dbraw/zinc/39/89/46/979398946.db2.gz JXIAPMWDNGQUQS-VIFPVBQESA-N 1 2 238.291 1.191 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nonc1C ZINC001181992948 979398953 /nfs/dbraw/zinc/39/89/53/979398953.db2.gz JXIAPMWDNGQUQS-VIFPVBQESA-N 1 2 238.291 1.191 20 0 BDADLO CNc1cc(-c2ccc(N)nc2)cc[nH+]1 ZINC001236314875 979523464 /nfs/dbraw/zinc/52/34/64/979523464.db2.gz BSPHIMPCYVBNGO-UHFFFAOYSA-N 1 2 200.245 1.768 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001604246454 979607009 /nfs/dbraw/zinc/60/70/09/979607009.db2.gz CCOZLYDSWNPZEH-VWYCJHECSA-N 1 2 237.303 1.115 20 0 BDADLO Oc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1F ZINC001236707155 979704303 /nfs/dbraw/zinc/70/43/03/979704303.db2.gz DQSWWHMRMCRYPL-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1cc(C[N@H+]2CC[C@]23CCOC3)ccc1F ZINC001236707155 979704317 /nfs/dbraw/zinc/70/43/17/979704317.db2.gz DQSWWHMRMCRYPL-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1F ZINC001236707157 979705649 /nfs/dbraw/zinc/70/56/49/979705649.db2.gz DQSWWHMRMCRYPL-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1F ZINC001236707157 979705658 /nfs/dbraw/zinc/70/56/58/979705658.db2.gz DQSWWHMRMCRYPL-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC001604706074 979708381 /nfs/dbraw/zinc/70/83/81/979708381.db2.gz JRDGNZYSNNDOKY-MFKMUULPSA-N 1 2 248.326 1.615 20 0 BDADLO c1c[nH+]c(N2CCOCC2)c(C[C@H]2CCCO2)c1 ZINC001250103531 979738495 /nfs/dbraw/zinc/73/84/95/979738495.db2.gz BYSPPQMEQQPBMH-CYBMUJFWSA-N 1 2 248.326 1.640 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCN2CCC1CC2 ZINC001237184758 979836240 /nfs/dbraw/zinc/83/62/40/979836240.db2.gz RBXZPWDMFKBWNI-UHFFFAOYSA-N 1 2 238.356 1.848 20 0 BDADLO S=C1C=COC1C[N@H+]1CCN2CCC1CC2 ZINC001237184758 979836242 /nfs/dbraw/zinc/83/62/42/979836242.db2.gz RBXZPWDMFKBWNI-UHFFFAOYSA-N 1 2 238.356 1.848 20 0 BDADLO S=C1C=COC1CN1CC[NH+]2CCC1CC2 ZINC001237184758 979836249 /nfs/dbraw/zinc/83/62/49/979836249.db2.gz RBXZPWDMFKBWNI-UHFFFAOYSA-N 1 2 238.356 1.848 20 0 BDADLO Oc1cc(F)cc(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001237285272 979864434 /nfs/dbraw/zinc/86/44/34/979864434.db2.gz PRMOSQPQKLFSAT-UHFFFAOYSA-N 1 2 237.274 1.488 20 0 BDADLO C[NH+]1CC(NC(=O)C(C)(C)c2ccc(O)cc2)C1 ZINC001183782138 979883808 /nfs/dbraw/zinc/88/38/08/979883808.db2.gz IEIMXOPQEZCOHU-UHFFFAOYSA-N 1 2 248.326 1.100 20 0 BDADLO Nc1ccc(CCC(=O)Nc2cccnn2)c[nH+]1 ZINC001183929276 979910243 /nfs/dbraw/zinc/91/02/43/979910243.db2.gz NBLGKPPTKOBNMH-UHFFFAOYSA-N 1 2 243.270 1.025 20 0 BDADLO CCNC(=O)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001250139219 979922550 /nfs/dbraw/zinc/92/25/50/979922550.db2.gz RINHFOWXWZGRTR-UHFFFAOYSA-N 1 2 229.283 1.755 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccn2n1 ZINC001237548737 979937389 /nfs/dbraw/zinc/93/73/89/979937389.db2.gz HLBRJFQTKKBZBY-OKILXGFUSA-N 1 2 243.310 1.698 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)ccn2n1 ZINC001237548737 979937396 /nfs/dbraw/zinc/93/73/96/979937396.db2.gz HLBRJFQTKKBZBY-OKILXGFUSA-N 1 2 243.310 1.698 20 0 BDADLO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1nnc[nH]1)C2 ZINC001237602068 979959410 /nfs/dbraw/zinc/95/94/10/979959410.db2.gz ZSKPGPLOGBYDAL-PWSUYJOCSA-N 1 2 236.319 1.053 20 0 BDADLO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1nnc[nH]1)C2 ZINC001237602068 979959420 /nfs/dbraw/zinc/95/94/20/979959420.db2.gz ZSKPGPLOGBYDAL-PWSUYJOCSA-N 1 2 236.319 1.053 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)[nH]1 ZINC001237609164 979973335 /nfs/dbraw/zinc/97/33/35/979973335.db2.gz UMONHCHBDLJVTC-GFCCVEGCSA-N 1 2 243.314 1.407 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)[nH]1 ZINC001237609164 979973350 /nfs/dbraw/zinc/97/33/50/979973350.db2.gz UMONHCHBDLJVTC-GFCCVEGCSA-N 1 2 243.314 1.407 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnccn2)nc1 ZINC001184315489 980000412 /nfs/dbraw/zinc/00/04/12/980000412.db2.gz WJUKEXGMXBXGFF-UHFFFAOYSA-N 1 2 230.271 1.170 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237647244 980001305 /nfs/dbraw/zinc/00/13/05/980001305.db2.gz RUHHZDMPUYHVQR-SMDDNHRTSA-N 1 2 249.358 1.973 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237647244 980001315 /nfs/dbraw/zinc/00/13/15/980001315.db2.gz RUHHZDMPUYHVQR-SMDDNHRTSA-N 1 2 249.358 1.973 20 0 BDADLO CSCC(C)(C)NC(=O)C[C@H]([NH3+])C(F)F ZINC001343142669 980020760 /nfs/dbraw/zinc/02/07/60/980020760.db2.gz ODIXPMFPAFSMAV-LURJTMIESA-N 1 2 240.319 1.227 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@H](C(C)=O)C1 ZINC001237654174 980021702 /nfs/dbraw/zinc/02/17/02/980021702.db2.gz YJAVCMFBHNLNSB-JTQLQIEISA-N 1 2 221.304 1.383 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@H](C(C)=O)C1 ZINC001237654174 980021710 /nfs/dbraw/zinc/02/17/10/980021710.db2.gz YJAVCMFBHNLNSB-JTQLQIEISA-N 1 2 221.304 1.383 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)no1 ZINC001343171053 980033080 /nfs/dbraw/zinc/03/30/80/980033080.db2.gz SEFXKFYDFSSOQZ-SCZZXKLOSA-N 1 2 237.303 1.740 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001237806669 980055377 /nfs/dbraw/zinc/05/53/77/980055377.db2.gz UXXILGJNAVTKTQ-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001237806669 980055391 /nfs/dbraw/zinc/05/53/91/980055391.db2.gz UXXILGJNAVTKTQ-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)nc1 ZINC001237807886 980056904 /nfs/dbraw/zinc/05/69/04/980056904.db2.gz HYEKODWPDLUUBE-IJLUTSLNSA-N 1 2 233.315 1.252 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)nc1 ZINC001237807886 980056915 /nfs/dbraw/zinc/05/69/15/980056915.db2.gz HYEKODWPDLUUBE-IJLUTSLNSA-N 1 2 233.315 1.252 20 0 BDADLO CCc1ncc(C[NH+]2CC3(COC3)C2)s1 ZINC001237821548 980072481 /nfs/dbraw/zinc/07/24/81/980072481.db2.gz OBTPXFPMVFIPJN-UHFFFAOYSA-N 1 2 224.329 1.538 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2c[nH]ccc2=O)C[C@H]1F ZINC001237835094 980076692 /nfs/dbraw/zinc/07/66/92/980076692.db2.gz OCXHTXZUVQNHDK-VXGBXAGGSA-N 1 2 242.269 1.647 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2c[nH]ccc2=O)C[C@H]1F ZINC001237835094 980076700 /nfs/dbraw/zinc/07/67/00/980076700.db2.gz OCXHTXZUVQNHDK-VXGBXAGGSA-N 1 2 242.269 1.647 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2ccsc2C)C1 ZINC001237972991 980121290 /nfs/dbraw/zinc/12/12/90/980121290.db2.gz WDQMBHHJTUBSSR-UHFFFAOYSA-N 1 2 238.356 1.719 20 0 BDADLO CCOc1cc(C[NH+]2CC(O)C2)ccc1C ZINC001238068190 980139261 /nfs/dbraw/zinc/13/92/61/980139261.db2.gz OMLRJQXQRMMFOT-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO Nc1ccnc(F)c1C[NH+]1CC2(C1)CCOC2 ZINC001238154913 980171681 /nfs/dbraw/zinc/17/16/81/980171681.db2.gz YTSWURAEGLKHCB-UHFFFAOYSA-N 1 2 237.278 1.025 20 0 BDADLO CC1(CC(=O)N2CCc3[nH+]ccn3CC2)CCC1 ZINC001185101472 980172999 /nfs/dbraw/zinc/17/29/99/980172999.db2.gz PQDKQUFNUVKAEJ-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Nc1ccnc(F)c1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001238149872 980178714 /nfs/dbraw/zinc/17/87/14/980178714.db2.gz NGAYMLUJFLGUPK-DTORHVGOSA-N 1 2 249.289 1.499 20 0 BDADLO Nc1ccnc(F)c1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001238149872 980178717 /nfs/dbraw/zinc/17/87/17/980178717.db2.gz NGAYMLUJFLGUPK-DTORHVGOSA-N 1 2 249.289 1.499 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCC[C@@H](F)C1 ZINC001238169555 980200914 /nfs/dbraw/zinc/20/09/14/980200914.db2.gz LWIMNITTXVNECK-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncncc1C[N@H+]1CCC[C@@H](F)C1 ZINC001238169555 980200920 /nfs/dbraw/zinc/20/09/20/980200920.db2.gz LWIMNITTXVNECK-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO C[NH+]1CC(NC(=O)c2ncccc2C2CCC2)C1 ZINC001185284871 980213740 /nfs/dbraw/zinc/21/37/40/980213740.db2.gz GEBAEZBTVHIJPO-UHFFFAOYSA-N 1 2 245.326 1.393 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)ccnc1Cl ZINC001238225583 980230989 /nfs/dbraw/zinc/23/09/89/980230989.db2.gz UKVUQYVETZPIBN-SFYZADRCSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)ccnc1Cl ZINC001238225583 980230997 /nfs/dbraw/zinc/23/09/97/980230997.db2.gz UKVUQYVETZPIBN-SFYZADRCSA-N 1 2 244.697 1.829 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(C)c1 ZINC001238427465 980259337 /nfs/dbraw/zinc/25/93/37/980259337.db2.gz VKJYEVXIUJTCFL-CMPLNLGQSA-N 1 2 224.279 1.213 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(C)c1 ZINC001238427465 980259342 /nfs/dbraw/zinc/25/93/42/980259342.db2.gz VKJYEVXIUJTCFL-CMPLNLGQSA-N 1 2 224.279 1.213 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC001343973508 980301074 /nfs/dbraw/zinc/30/10/74/980301074.db2.gz WBLIVPPSPXULCM-LLVKDONJSA-N 1 2 249.318 1.598 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC/C=C/C1CC1 ZINC001344001349 980308286 /nfs/dbraw/zinc/30/82/86/980308286.db2.gz HPWJGALAIIJILU-HNQUOIGGSA-N 1 2 233.315 1.746 20 0 BDADLO CCSCCO[C@@H](C)C[NH+]1CCOCC1 ZINC001205342273 980333474 /nfs/dbraw/zinc/33/34/74/980333474.db2.gz GJCSWZRMJVHRLP-NSHDSACASA-N 1 2 233.377 1.477 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC001344539064 980417729 /nfs/dbraw/zinc/41/77/29/980417729.db2.gz LUUTVJJDMBMOFY-WHOHXGKFSA-N 1 2 233.315 1.749 20 0 BDADLO O=C(NCc1c[nH+]cn1CC1CC1)NCC1CC1 ZINC001186642665 980424231 /nfs/dbraw/zinc/42/42/31/980424231.db2.gz OMZWYOXGUGLVRM-UHFFFAOYSA-N 1 2 248.330 1.502 20 0 BDADLO CN(C)c1[nH+]cccc1/C=C/C(C)(C)O ZINC001239157657 980472322 /nfs/dbraw/zinc/47/23/22/980472322.db2.gz DTLOMRWWVHKTQC-BQYQJAHWSA-N 1 2 206.289 1.932 20 0 BDADLO O=C([C@H]1CCC=N1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001187366032 980504119 /nfs/dbraw/zinc/50/41/19/980504119.db2.gz SNIVAYWUPCWNDS-WDEREUQCSA-N 1 2 246.314 1.349 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000075369442 980526600 /nfs/dbraw/zinc/52/66/00/980526600.db2.gz KFGMUKYSMMBXDA-VXGBXAGGSA-N 1 2 235.331 1.968 20 0 BDADLO CNc1cc(CNc2cnccn2)cc[nH+]1 ZINC001187685832 980536643 /nfs/dbraw/zinc/53/66/43/980536643.db2.gz DPYINFZWLLOLJR-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)cn1C ZINC001188076543 980588335 /nfs/dbraw/zinc/58/83/35/980588335.db2.gz VJYCCEHOUGIJPQ-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO Cc1nocc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345251706 980591495 /nfs/dbraw/zinc/59/14/95/980591495.db2.gz DNEIEAOHNPZTIR-UHFFFAOYSA-N 1 2 249.270 1.772 20 0 BDADLO COc1cc2[nH+]c[nH]c2cc1C1=CCOC1 ZINC001239486515 980636764 /nfs/dbraw/zinc/63/67/64/980636764.db2.gz OLEISPFCJUAVBP-UHFFFAOYSA-N 1 2 216.240 1.985 20 0 BDADLO CSc1cncc(CC[NH+]2CCOCC2)c1 ZINC001250277673 980651910 /nfs/dbraw/zinc/65/19/10/980651910.db2.gz LPTPCPVIBHKHAK-UHFFFAOYSA-N 1 2 238.356 1.678 20 0 BDADLO COCCCn1cc(CCn2cc[nH+]c2)cn1 ZINC001250318689 980759749 /nfs/dbraw/zinc/75/97/49/980759749.db2.gz KUSHFGGMRJJUCU-UHFFFAOYSA-N 1 2 234.303 1.359 20 0 BDADLO c1cn(-c2ccc(CCn3cc[nH+]c3)cc2)nn1 ZINC001250320201 980760905 /nfs/dbraw/zinc/76/09/05/980760905.db2.gz ZOPGMZNKTOLOFG-UHFFFAOYSA-N 1 2 239.282 1.707 20 0 BDADLO CCc1cc(NC(=O)Cc2[nH]c[nH+]c2C)n(C)n1 ZINC001346445974 980839456 /nfs/dbraw/zinc/83/94/56/980839456.db2.gz PUIDKAKNGWCLDO-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001346517827 980855807 /nfs/dbraw/zinc/85/58/07/980855807.db2.gz GSKUUMTUDOQMGZ-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO c1cn2cc(Cc3cnccn3)ccc2[nH+]1 ZINC001250372922 980872403 /nfs/dbraw/zinc/87/24/03/980872403.db2.gz ZSWLATXCAWCBOF-UHFFFAOYSA-N 1 2 210.240 1.715 20 0 BDADLO NC(=O)c1ccccc1-c1cc[nH+]c2c1CCN2 ZINC001239765482 980904673 /nfs/dbraw/zinc/90/46/73/980904673.db2.gz XDTKMTNGPOKOSW-UHFFFAOYSA-N 1 2 239.278 1.816 20 0 BDADLO CN(C)C(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001239799579 980932355 /nfs/dbraw/zinc/93/23/55/980932355.db2.gz XDBXJAVIBGZFAV-UHFFFAOYSA-N 1 2 229.283 1.789 20 0 BDADLO COc1ncccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001239856356 980996642 /nfs/dbraw/zinc/99/66/42/980996642.db2.gz CNXKAJTXVLSQJI-UHFFFAOYSA-N 1 2 240.266 1.987 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C(C)(C)C1CCC1 ZINC001347339011 981049791 /nfs/dbraw/zinc/04/97/91/981049791.db2.gz LFUPFYJIAUOCFP-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H](C(=O)N1CCCSC1)n1cc[nH+]c1 ZINC001347354105 981055562 /nfs/dbraw/zinc/05/55/62/981055562.db2.gz QCKNODUHZYJDBZ-SECBINFHSA-N 1 2 225.317 1.367 20 0 BDADLO CCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001347506536 981102422 /nfs/dbraw/zinc/10/24/22/981102422.db2.gz DPQTXTUJPLFFMG-UHFFFAOYSA-N 1 2 222.292 1.333 20 0 BDADLO CO[C@@]1(C)C[C@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC001347851363 981197176 /nfs/dbraw/zinc/19/71/76/981197176.db2.gz XKBNGHGSTAHOFE-ONGXEEELSA-N 1 2 224.308 1.098 20 0 BDADLO CO[C@@]1(C)C[C@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC001347851363 981197185 /nfs/dbraw/zinc/19/71/85/981197185.db2.gz XKBNGHGSTAHOFE-ONGXEEELSA-N 1 2 224.308 1.098 20 0 BDADLO Cc1noc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC001348052712 981265833 /nfs/dbraw/zinc/26/58/33/981265833.db2.gz SHPDDTUCMLJPLV-JTQLQIEISA-N 1 2 245.286 1.464 20 0 BDADLO CC[C@@H]([NH2+]CCOC1CCC1)c1noc(C)n1 ZINC001193248281 981279647 /nfs/dbraw/zinc/27/96/47/981279647.db2.gz DOABWVVCRDFOFK-LLVKDONJSA-N 1 2 239.319 1.988 20 0 BDADLO CNc1cc(-c2ccc(=O)n(C)c2)cc[nH+]1 ZINC001240334318 981304981 /nfs/dbraw/zinc/30/49/81/981304981.db2.gz UCVULFUUFPQOHK-UHFFFAOYSA-N 1 2 215.256 1.489 20 0 BDADLO Cc1nc(NCC(C)(C)[C@H](C)O)cc[nH+]1 ZINC001348386260 981351352 /nfs/dbraw/zinc/35/13/52/981351352.db2.gz DMFNENDOTUWRCE-QMMMGPOBSA-N 1 2 209.293 1.604 20 0 BDADLO CC(C)OC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001193513622 981366975 /nfs/dbraw/zinc/36/69/75/981366975.db2.gz BSNUWLNNVLCVOC-UHFFFAOYSA-N 1 2 235.287 1.405 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C=C2CCC2)co1 ZINC001348485991 981372981 /nfs/dbraw/zinc/37/29/81/981372981.db2.gz VJKBGWPYGVOXPU-UHFFFAOYSA-N 1 2 249.314 1.463 20 0 BDADLO C/C=C/C=C/C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001348485523 981373905 /nfs/dbraw/zinc/37/39/05/981373905.db2.gz ODACCQRRWYHBFU-YTXTXJHMSA-N 1 2 249.314 1.485 20 0 BDADLO CC(C)SCC(=O)NCCc1[nH+]ccn1C ZINC001348614267 981408242 /nfs/dbraw/zinc/40/82/42/981408242.db2.gz LSMSQVYTWVEZIM-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO COCc1nccnc1-c1ccn2cc[nH+]c2c1 ZINC001240496000 981415932 /nfs/dbraw/zinc/41/59/32/981415932.db2.gz BXDPTWRICXNZSK-UHFFFAOYSA-N 1 2 240.266 1.938 20 0 BDADLO COc1cnc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240496243 981417653 /nfs/dbraw/zinc/41/76/53/981417653.db2.gz JLKFXPVMDHDXPH-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO CCCCCOC(=O)NCCn1cc[nH+]c1 ZINC001193739987 981421349 /nfs/dbraw/zinc/42/13/49/981421349.db2.gz NCQKBQNRYQVUIN-UHFFFAOYSA-N 1 2 225.292 1.800 20 0 BDADLO c1cn2ccc(-c3ccc4nncn4n3)cc2[nH+]1 ZINC001240510552 981436457 /nfs/dbraw/zinc/43/64/57/981436457.db2.gz NRPPODBRRQLKLQ-UHFFFAOYSA-N 1 2 236.238 1.439 20 0 BDADLO Cc1n[nH]cc1-c1c[nH+]c2c(c1)CCCN2 ZINC001240522625 981455508 /nfs/dbraw/zinc/45/55/08/981455508.db2.gz FSJNDSNMXCNQPL-UHFFFAOYSA-N 1 2 214.272 1.781 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CCCC12CC2 ZINC001348917640 981475917 /nfs/dbraw/zinc/47/59/17/981475917.db2.gz GVXWTBDKMWXXCZ-NSHDSACASA-N 1 2 247.342 1.802 20 0 BDADLO CC(C)COC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001193864202 981486229 /nfs/dbraw/zinc/48/62/29/981486229.db2.gz ODAFASOARLRSAU-NSHDSACASA-N 1 2 246.326 1.803 20 0 BDADLO CC(C)COC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001193864202 981486232 /nfs/dbraw/zinc/48/62/32/981486232.db2.gz ODAFASOARLRSAU-NSHDSACASA-N 1 2 246.326 1.803 20 0 BDADLO COC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001193935547 981496512 /nfs/dbraw/zinc/49/65/12/981496512.db2.gz JNLUPPGEJUCZEZ-SNVBAGLBSA-N 1 2 235.287 1.406 20 0 BDADLO CCn1cccc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001349301967 981527827 /nfs/dbraw/zinc/52/78/27/981527827.db2.gz WMUZSCDIVCFJIG-UHFFFAOYSA-N 1 2 246.314 1.778 20 0 BDADLO CCCOC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001194147946 981576656 /nfs/dbraw/zinc/57/66/56/981576656.db2.gz KXNRNFRRSWDZKR-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccnc(F)c1 ZINC001349624227 981599555 /nfs/dbraw/zinc/59/95/55/981599555.db2.gz IBIKKCBWEFVTHP-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO CCN(C(=O)Oc1ccccc1)C1C[NH+](C)C1 ZINC001194242955 981613180 /nfs/dbraw/zinc/61/31/80/981613180.db2.gz KWLZZXIBBZNYES-UHFFFAOYSA-N 1 2 234.299 1.821 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCCO1 ZINC001349791546 981744033 /nfs/dbraw/zinc/74/40/33/981744033.db2.gz KLDHCTIPHIMLKZ-NSHDSACASA-N 1 2 234.299 1.628 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001349809466 981756627 /nfs/dbraw/zinc/75/66/27/981756627.db2.gz BBFFACGPAWHCQM-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001583333631 981811781 /nfs/dbraw/zinc/81/17/81/981811781.db2.gz MADYCGPMZUPRAT-VIFPVBQESA-N 1 2 209.293 1.125 20 0 BDADLO FC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC001349928233 981818726 /nfs/dbraw/zinc/81/87/26/981818726.db2.gz NGLYFEULCMTASP-UHFFFAOYSA-N 1 2 215.297 1.563 20 0 BDADLO c1nn(C2COC2)cc1-c1cc[nH+]c2c1CCN2 ZINC001240794693 981835351 /nfs/dbraw/zinc/83/53/51/981835351.db2.gz CSMWVYOYIUBPON-UHFFFAOYSA-N 1 2 242.282 1.484 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC(n2cc[nH+]c2)CC1 ZINC001583988909 981847157 /nfs/dbraw/zinc/84/71/57/981847157.db2.gz FPZZYTBQAUWMMD-LBPRGKRZSA-N 1 2 245.326 1.847 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOc1ccc(F)cc1 ZINC001584003641 981850605 /nfs/dbraw/zinc/85/06/05/981850605.db2.gz AELHNRGJVSFXKU-UHFFFAOYSA-N 1 2 249.245 1.523 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccncc1C ZINC001585327969 981920934 /nfs/dbraw/zinc/92/09/34/981920934.db2.gz IQWBZMZYZJZYRQ-UHFFFAOYSA-N 1 2 230.271 1.025 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CO[C@@H](C)C1 ZINC001350346166 981935492 /nfs/dbraw/zinc/93/54/92/981935492.db2.gz ZGRKFNHUICIOPR-VHSXEESVSA-N 1 2 238.287 1.371 20 0 BDADLO Cc1conc1NC(=O)NCCCn1cc[nH+]c1 ZINC000159282196 981958157 /nfs/dbraw/zinc/95/81/57/981958157.db2.gz PVYTUQDIPUYNLG-UHFFFAOYSA-N 1 2 249.274 1.391 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccn1 ZINC001586295488 981983815 /nfs/dbraw/zinc/98/38/15/981983815.db2.gz MWBICRKVQCVBBQ-JTQLQIEISA-N 1 2 244.298 1.267 20 0 BDADLO C/C=C/C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001350586582 982009853 /nfs/dbraw/zinc/00/98/53/982009853.db2.gz VVKHYMANUNDFBD-PYEVWLCESA-N 1 2 247.342 1.777 20 0 BDADLO Cc1cncc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC001587366458 982070480 /nfs/dbraw/zinc/07/04/80/982070480.db2.gz KQVLRBCSZPFMGG-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC001587905554 982099619 /nfs/dbraw/zinc/09/96/19/982099619.db2.gz USFZGDQGSCJMTH-LLVKDONJSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC001587905554 982099629 /nfs/dbraw/zinc/09/96/29/982099629.db2.gz USFZGDQGSCJMTH-LLVKDONJSA-N 1 2 244.298 1.596 20 0 BDADLO Nc1[nH+]cccc1COC(=O)CC1CC1 ZINC001350891056 982114203 /nfs/dbraw/zinc/11/42/03/982114203.db2.gz QYTDRQNYKVDQDR-UHFFFAOYSA-N 1 2 206.245 1.507 20 0 BDADLO CC[C@@H](C)OC(=O)NCCc1[nH+]ccn1C ZINC001195160952 982146370 /nfs/dbraw/zinc/14/63/70/982146370.db2.gz ALGUMXRGIULZIV-SECBINFHSA-N 1 2 225.292 1.487 20 0 BDADLO Cc1cc(NC[C@H]2CCC(=O)N2)nc(C(C)C)[nH+]1 ZINC000079932773 982248741 /nfs/dbraw/zinc/24/87/41/982248741.db2.gz YNBXQJZYDGIVPX-SNVBAGLBSA-N 1 2 248.330 1.599 20 0 BDADLO Cc1c2nc[nH]c2ncc1-c1cc[nH+]c(N)c1 ZINC001241170470 982317320 /nfs/dbraw/zinc/31/73/20/982317320.db2.gz JUGODSZDKIQKNP-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CNC(=O)c1cc(-c2cc[nH+]c(N)c2)cnc1F ZINC001241175686 982323536 /nfs/dbraw/zinc/32/35/36/982323536.db2.gz KBGRFDBJTDQWAD-UHFFFAOYSA-N 1 2 246.245 1.225 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)c1ccc[nH]1 ZINC001351700755 982363715 /nfs/dbraw/zinc/36/37/15/982363715.db2.gz SVSGYBFEYHZPKR-SNVBAGLBSA-N 1 2 246.314 1.558 20 0 BDADLO COCCCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC001196113688 982403030 /nfs/dbraw/zinc/40/30/30/982403030.db2.gz GKVDNTFZJUVUKN-LBPRGKRZSA-N 1 2 249.326 1.684 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCCC(F)(F)F ZINC001351926668 982410667 /nfs/dbraw/zinc/41/06/67/982410667.db2.gz IBBFVKWUJCPJKV-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCCC(F)(F)F ZINC001351926668 982410678 /nfs/dbraw/zinc/41/06/78/982410678.db2.gz IBBFVKWUJCPJKV-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC(C)CCCC[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC001352065744 982450892 /nfs/dbraw/zinc/45/08/92/982450892.db2.gz GHRSOVBULQMJCC-UHFFFAOYSA-N 1 2 240.347 1.949 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001300085699 982560802 /nfs/dbraw/zinc/56/08/02/982560802.db2.gz FBVRGNLBQGSEJU-GMTAPVOTSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@H+](C[C@H]2CCCCO2)C1 ZINC001197785146 982594024 /nfs/dbraw/zinc/59/40/24/982594024.db2.gz BHANXGITTBSRRF-WCQYABFASA-N 1 2 249.358 1.973 20 0 BDADLO Nc1[nH+]cccc1-c1cccc(CO)c1 ZINC001241509234 982665451 /nfs/dbraw/zinc/66/54/51/982665451.db2.gz WRUXRSHAPKSRHX-UHFFFAOYSA-N 1 2 200.241 1.823 20 0 BDADLO C=CS(=O)(=O)Nc1cc(C)[nH+]c2ccccc12 ZINC001198556562 982781551 /nfs/dbraw/zinc/78/15/51/982781551.db2.gz XCJYKDKRGHUCAL-UHFFFAOYSA-N 1 2 248.307 1.850 20 0 BDADLO Cc1cnc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)o1 ZINC001353241081 982800106 /nfs/dbraw/zinc/80/01/06/982800106.db2.gz ZUDWNDPRPPTIHX-GHMZBOCLSA-N 1 2 239.319 1.504 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)o1 ZINC001353241084 982800723 /nfs/dbraw/zinc/80/07/23/982800723.db2.gz ZUDWNDPRPPTIHX-WDEREUQCSA-N 1 2 239.319 1.504 20 0 BDADLO CCc1cnc(C[NH2+]C[C@H](O)c2ccccn2)o1 ZINC001353325417 982837464 /nfs/dbraw/zinc/83/74/64/982837464.db2.gz AUDQLRARXSGZSR-LBPRGKRZSA-N 1 2 247.298 1.455 20 0 BDADLO COCc1cc(C[NH2+]Cc2c[nH]cn2)ccc1F ZINC001353585624 982897424 /nfs/dbraw/zinc/89/74/24/982897424.db2.gz ZKRRHWPNDOJKKI-UHFFFAOYSA-N 1 2 249.289 1.985 20 0 BDADLO CC(C)COC(=O)NCCCn1cc[nH+]c1 ZINC000082258290 982941109 /nfs/dbraw/zinc/94/11/09/982941109.db2.gz SVXLAYMJHPKPPI-UHFFFAOYSA-N 1 2 225.292 1.655 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC001199732289 982988908 /nfs/dbraw/zinc/98/89/08/982988908.db2.gz HSCOBXQIFOUSSJ-UONOGXRCSA-N 1 2 243.310 1.168 20 0 BDADLO CC[C@@H](C)NC(=S)NCCc1[nH+]ccn1C ZINC001200499273 983080280 /nfs/dbraw/zinc/08/02/80/983080280.db2.gz ARGLFVLHLBPTCY-SECBINFHSA-N 1 2 240.376 1.225 20 0 BDADLO Cc1ncc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201276244 983174914 /nfs/dbraw/zinc/17/49/14/983174914.db2.gz QOMBNOGGURHDJY-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO COc1ncc(Nc2ccc(N)[nH+]c2)c(C)n1 ZINC001201278433 983178610 /nfs/dbraw/zinc/17/86/10/983178610.db2.gz JCMCJWDMRNEBFW-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO NC(=O)c1ccc(Nc2ccc(N)[nH+]c2)cc1O ZINC001201294881 983180053 /nfs/dbraw/zinc/18/00/53/983180053.db2.gz JOEQZXBWVZVJDT-UHFFFAOYSA-N 1 2 244.254 1.212 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@](O)(C3CC3)C2)[nH+]1 ZINC001354178105 983184996 /nfs/dbraw/zinc/18/49/96/983184996.db2.gz OHSSJEXZDRGWLO-ZDUSSCGKSA-N 1 2 236.290 1.880 20 0 BDADLO Nc1cc(N2CCOC[C@H](C3CCC3)C2)[nH+]cn1 ZINC001354199942 983193565 /nfs/dbraw/zinc/19/35/65/983193565.db2.gz SIDSYARZXBWQPF-LLVKDONJSA-N 1 2 248.330 1.312 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@H+](CC1CCCCC1)C2 ZINC001201401996 983204446 /nfs/dbraw/zinc/20/44/46/983204446.db2.gz WPLMZTCMMVBFHL-QWRGUYRKSA-N 1 2 209.289 1.566 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@@H+](CC1CCCCC1)C2 ZINC001201401996 983204457 /nfs/dbraw/zinc/20/44/57/983204457.db2.gz WPLMZTCMMVBFHL-QWRGUYRKSA-N 1 2 209.289 1.566 20 0 BDADLO O=C1CC[N@@H+](C[C@H]2CC=CCC2)C[C@@H]1F ZINC001201423801 983226543 /nfs/dbraw/zinc/22/65/43/983226543.db2.gz SSSKJYRYLXWMFP-QWRGUYRKSA-N 1 2 211.280 1.956 20 0 BDADLO O=C1CC[N@H+](C[C@H]2CC=CCC2)C[C@@H]1F ZINC001201423801 983226553 /nfs/dbraw/zinc/22/65/53/983226553.db2.gz SSSKJYRYLXWMFP-QWRGUYRKSA-N 1 2 211.280 1.956 20 0 BDADLO CCOc1cncc(-c2c[nH+]c(N)cc2C)n1 ZINC001242068838 983299481 /nfs/dbraw/zinc/29/94/81/983299481.db2.gz WZPBRFUPYLLGJO-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO COC(=O)c1ccnc(-c2c[nH+]c(N)cc2C)n1 ZINC001242070638 983304447 /nfs/dbraw/zinc/30/44/47/983304447.db2.gz GTYQOSVZDJPJPM-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2[nH]ccc2n1 ZINC001242071095 983304492 /nfs/dbraw/zinc/30/44/92/983304492.db2.gz TWNQANQAFTVLCU-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CN(C)c1cc(C2=CCOCC2)cc[nH+]1 ZINC001242076302 983321302 /nfs/dbraw/zinc/32/13/02/983321302.db2.gz JCVZCPCFMYRHIN-UHFFFAOYSA-N 1 2 204.273 1.951 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ccc2[nH]nnc2c1 ZINC001242084700 983332171 /nfs/dbraw/zinc/33/21/71/983332171.db2.gz ANDNTUCREKTVKO-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CC(C)C[C@H](CO)[N@H+](C)Cc1nncs1 ZINC001354626694 983335422 /nfs/dbraw/zinc/33/54/22/983335422.db2.gz MIWYVMOWNSHVPE-SECBINFHSA-N 1 2 229.349 1.377 20 0 BDADLO CC(C)C[C@H](CO)[N@@H+](C)Cc1nncs1 ZINC001354626694 983335427 /nfs/dbraw/zinc/33/54/27/983335427.db2.gz MIWYVMOWNSHVPE-SECBINFHSA-N 1 2 229.349 1.377 20 0 BDADLO CC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201573524 983339762 /nfs/dbraw/zinc/33/97/62/983339762.db2.gz VLDPKRUJTZRAHG-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO CC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201573524 983339769 /nfs/dbraw/zinc/33/97/69/983339769.db2.gz VLDPKRUJTZRAHG-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO CSCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001201681741 983393611 /nfs/dbraw/zinc/39/36/11/983393611.db2.gz GUEFKDIIMMMYEZ-SECBINFHSA-N 1 2 219.325 1.743 20 0 BDADLO CSCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001201681741 983393617 /nfs/dbraw/zinc/39/36/17/983393617.db2.gz GUEFKDIIMMMYEZ-SECBINFHSA-N 1 2 219.325 1.743 20 0 BDADLO CCCCC[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201744882 983452623 /nfs/dbraw/zinc/45/26/23/983452623.db2.gz PWUHXIJPPFWUBN-UHFFFAOYSA-N 1 2 247.342 1.920 20 0 BDADLO CCCCC[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201744882 983452636 /nfs/dbraw/zinc/45/26/36/983452636.db2.gz PWUHXIJPPFWUBN-UHFFFAOYSA-N 1 2 247.342 1.920 20 0 BDADLO O=C1C[N@H+](CC2CC2)CCN1c1ccccn1 ZINC001201952291 983523495 /nfs/dbraw/zinc/52/34/95/983523495.db2.gz KMICBPVBWWNVRZ-UHFFFAOYSA-N 1 2 231.299 1.140 20 0 BDADLO O=C1C[N@@H+](CC2CC2)CCN1c1ccccn1 ZINC001201952291 983523505 /nfs/dbraw/zinc/52/35/05/983523505.db2.gz KMICBPVBWWNVRZ-UHFFFAOYSA-N 1 2 231.299 1.140 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1ccns1 ZINC001356555921 983628834 /nfs/dbraw/zinc/62/88/34/983628834.db2.gz CQOHWFBYVYQCOW-UHFFFAOYSA-N 1 2 236.300 1.160 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@@H](CC)C(=O)OC ZINC001252106271 983653901 /nfs/dbraw/zinc/65/39/01/983653901.db2.gz MMZSWLHQKJZJSW-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO CC(=O)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001242400204 983680778 /nfs/dbraw/zinc/68/07/78/983680778.db2.gz BRUBYVUTNUJNIM-UHFFFAOYSA-N 1 2 213.240 1.928 20 0 BDADLO CC[NH+](CC)CCCn1cc(C(=O)[O-])[nH+]c1C ZINC001596264842 983682511 /nfs/dbraw/zinc/68/25/11/983682511.db2.gz BZXJALHGINEOBR-UHFFFAOYSA-N 1 2 239.319 1.622 20 0 BDADLO Cc1ccccc1C1(C(=O)NOC[C@H](C)[NH3+])CC1 ZINC001357726960 983765528 /nfs/dbraw/zinc/76/55/28/983765528.db2.gz WFWNJSOFXFSCNI-NSHDSACASA-N 1 2 248.326 1.422 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001358149387 983831106 /nfs/dbraw/zinc/83/11/06/983831106.db2.gz WVKNNJDLAKKFGG-RKDXNWHRSA-N 1 2 225.267 1.062 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834675 983896264 /nfs/dbraw/zinc/89/62/64/983896264.db2.gz UKEIMPUGLSIWRO-MNOVXSKESA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834675 983896268 /nfs/dbraw/zinc/89/62/68/983896268.db2.gz UKEIMPUGLSIWRO-MNOVXSKESA-N 1 2 249.314 1.218 20 0 BDADLO CC(C)n1cc(C[N@H+](C)Cc2cncnc2)cn1 ZINC001137082635 983929979 /nfs/dbraw/zinc/92/99/79/983929979.db2.gz JVLJSRDLKZFCMS-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)Cc2cncnc2)cn1 ZINC001137082635 983929986 /nfs/dbraw/zinc/92/99/86/983929986.db2.gz JVLJSRDLKZFCMS-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO c1cnc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)ccc2n1 ZINC001137089815 983935619 /nfs/dbraw/zinc/93/56/19/983935619.db2.gz ABIKLIBFZMDKSI-TXEJJXNPSA-N 1 2 241.294 1.603 20 0 BDADLO c1cnc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)ccc2n1 ZINC001137089815 983935631 /nfs/dbraw/zinc/93/56/31/983935631.db2.gz ABIKLIBFZMDKSI-TXEJJXNPSA-N 1 2 241.294 1.603 20 0 BDADLO OC1C[NH+](Cc2ccccc2-n2cccn2)C1 ZINC001137093461 983937040 /nfs/dbraw/zinc/93/70/40/983937040.db2.gz FPCKWFFKSRXVAU-UHFFFAOYSA-N 1 2 229.283 1.049 20 0 BDADLO CCN(Cc1ncc(Cl)s1)C1C[NH+](C)C1 ZINC001137112493 983948336 /nfs/dbraw/zinc/94/83/36/983948336.db2.gz AJJLFZCBZUQMBY-UHFFFAOYSA-N 1 2 245.779 1.932 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1coc(C=O)c1 ZINC001137140159 983967268 /nfs/dbraw/zinc/96/72/68/983967268.db2.gz OJEBVNZYJZTAKG-UHFFFAOYSA-N 1 2 233.227 1.054 20 0 BDADLO Cc1ccc(O)c(Nc2cccc(=O)[nH]2)[nH+]1 ZINC001212787168 984016530 /nfs/dbraw/zinc/01/65/30/984016530.db2.gz NPSLBRZIVPUQGE-UHFFFAOYSA-N 1 2 217.228 1.940 20 0 BDADLO C[NH2+]CC(=O)O[C@@H]1CCCOc2ccccc21 ZINC001573895220 984050155 /nfs/dbraw/zinc/05/01/55/984050155.db2.gz GNLVCZWVKDRGHF-GFCCVEGCSA-N 1 2 235.283 1.663 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001596421371 984054995 /nfs/dbraw/zinc/05/49/95/984054995.db2.gz JCMNQNWEWICODN-SDDRHHMPSA-N 1 2 240.347 1.314 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001596421371 984055004 /nfs/dbraw/zinc/05/50/04/984055004.db2.gz JCMNQNWEWICODN-SDDRHHMPSA-N 1 2 240.347 1.314 20 0 BDADLO CCCCC[C@H](O)C[NH2+]Cc1noc(C)n1 ZINC001253519703 984189414 /nfs/dbraw/zinc/18/94/14/984189414.db2.gz QRRZWGUQJODNEW-JTQLQIEISA-N 1 2 227.308 1.409 20 0 BDADLO Cc1ccc(C)c(NC(=O)NC2C[NH+](C)C2)c1 ZINC001202769942 984299628 /nfs/dbraw/zinc/29/96/28/984299628.db2.gz OUCSXKPEEMOFDJ-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO CCC1(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001436620309 984333965 /nfs/dbraw/zinc/33/39/65/984333965.db2.gz WUDVTBDSNUJYFW-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)n1 ZINC001274380546 984335618 /nfs/dbraw/zinc/33/56/18/984335618.db2.gz NLTOJEAOYGCSKU-ZDUSSCGKSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)n1 ZINC001274380546 984335626 /nfs/dbraw/zinc/33/56/26/984335626.db2.gz NLTOJEAOYGCSKU-ZDUSSCGKSA-N 1 2 249.314 1.180 20 0 BDADLO OCc1cncc(-c2cc[nH+]c3c2CCN3)c1 ZINC001242972733 984343644 /nfs/dbraw/zinc/34/36/44/984343644.db2.gz CCORJHLSTNPHOL-UHFFFAOYSA-N 1 2 227.267 1.604 20 0 BDADLO Cc1cnc(C(=O)N2CC3(CC[N@H+]3C)C2)c(C)c1 ZINC001274637279 984357025 /nfs/dbraw/zinc/35/70/25/984357025.db2.gz XDMVRSLIJCIGCY-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1cnc(C(=O)N2CC3(CC[N@@H+]3C)C2)c(C)c1 ZINC001274637279 984357027 /nfs/dbraw/zinc/35/70/27/984357027.db2.gz XDMVRSLIJCIGCY-UHFFFAOYSA-N 1 2 245.326 1.229 20 0 BDADLO Cc1cc(C(=O)Nc2c(C)c[nH+]cc2C)ncn1 ZINC001439226589 984382460 /nfs/dbraw/zinc/38/24/60/984382460.db2.gz UDHNOWIDMLTUPU-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1nnc2cc(-c3c[nH+]cn3C)ccn12 ZINC001243068063 984483904 /nfs/dbraw/zinc/48/39/04/984483904.db2.gz UQLPHOSEYDRTPZ-UHFFFAOYSA-N 1 2 213.244 1.438 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)OCCN2C ZINC001243069457 984486742 /nfs/dbraw/zinc/48/67/42/984486742.db2.gz RNNMRKMCWSZHFV-UHFFFAOYSA-N 1 2 229.283 1.916 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CN(C)C2=O ZINC001243069695 984495680 /nfs/dbraw/zinc/49/56/80/984495680.db2.gz WISYOJVSTUQLKM-UHFFFAOYSA-N 1 2 227.267 1.673 20 0 BDADLO Cc1cc(-c2nn[nH]n2)ccc1-c1c[nH+]cn1C ZINC001243071866 984503459 /nfs/dbraw/zinc/50/34/59/984503459.db2.gz HNSRZQCIBPTAIR-UHFFFAOYSA-N 1 2 240.270 1.576 20 0 BDADLO CN1CCC12C[NH+](Cc1ccc3n[nH]cc3c1)C2 ZINC001275245379 984526441 /nfs/dbraw/zinc/52/64/41/984526441.db2.gz FZFXYPFOMUHXDS-UHFFFAOYSA-N 1 2 242.326 1.453 20 0 BDADLO C=C/C=C\CC(=O)NCCc1[nH]cc[nH+]1 ZINC001444198268 984550367 /nfs/dbraw/zinc/55/03/67/984550367.db2.gz HAQOCFKHXAYVBD-ARJAWSKDSA-N 1 2 205.261 1.201 20 0 BDADLO Cc1cc(O)cc(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001275982077 984766401 /nfs/dbraw/zinc/76/64/01/984766401.db2.gz PNSVYKQAAZVVHU-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1cc(O)cc(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001275982077 984766438 /nfs/dbraw/zinc/76/64/38/984766438.db2.gz PNSVYKQAAZVVHU-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001257411515 984961909 /nfs/dbraw/zinc/96/19/09/984961909.db2.gz UMVMQZUYVKIBDS-UTUOFQBUSA-N 1 2 245.363 1.857 20 0 BDADLO Cn1cc(-c2ccc[nH+]c2N)c2cc[nH]c2c1=O ZINC001243473201 985020537 /nfs/dbraw/zinc/02/05/37/985020537.db2.gz HHWDKXBKGVBYAF-UHFFFAOYSA-N 1 2 240.266 1.511 20 0 BDADLO NC(=O)CCc1cccc(-c2ccc[nH+]c2N)c1 ZINC001243473233 985020669 /nfs/dbraw/zinc/02/06/69/985020669.db2.gz IRIWSICYMBJNNA-UHFFFAOYSA-N 1 2 241.294 1.749 20 0 BDADLO COC(=O)c1ccc(-c2ccc[nH+]c2N)c(C)n1 ZINC001243473199 985025794 /nfs/dbraw/zinc/02/57/94/985025794.db2.gz HFCIPPVXMCGHLY-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Nc1[nH+]cccc1-c1cccc(-c2nn[nH]n2)c1 ZINC001243473416 985026553 /nfs/dbraw/zinc/02/65/53/985026553.db2.gz KWVDLEONVCUUAB-UHFFFAOYSA-N 1 2 238.254 1.511 20 0 BDADLO COC(=O)c1ccc(N)c(-c2ccc[nH+]c2N)c1 ZINC001243473461 985026603 /nfs/dbraw/zinc/02/66/03/985026603.db2.gz BBIZVPASFNGUBD-UHFFFAOYSA-N 1 2 243.266 1.700 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2c(c1)OCC(=O)N2 ZINC001243474725 985030904 /nfs/dbraw/zinc/03/09/04/985030904.db2.gz PTFRQGKJJGHZEN-UHFFFAOYSA-N 1 2 242.238 1.057 20 0 BDADLO Nc1[nH+]cccc1-c1ccnc2[nH]cnc21 ZINC001243475417 985033458 /nfs/dbraw/zinc/03/34/58/985033458.db2.gz HQGFZXGBACWHIX-UHFFFAOYSA-N 1 2 211.228 1.554 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1CNC(=O)N2 ZINC001243477257 985036182 /nfs/dbraw/zinc/03/61/82/985036182.db2.gz OBLPLLFZBJVOQY-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cncc(N(C)C)c1 ZINC001454603099 985038231 /nfs/dbraw/zinc/03/82/31/985038231.db2.gz ISEFNRNYLBQXIH-LBPRGKRZSA-N 1 2 248.330 1.180 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cncc(N(C)C)c1 ZINC001454603099 985038244 /nfs/dbraw/zinc/03/82/44/985038244.db2.gz ISEFNRNYLBQXIH-LBPRGKRZSA-N 1 2 248.330 1.180 20 0 BDADLO Cc1cc(C(N)=O)ccc1-c1ccc[nH+]c1N ZINC001243478074 985045342 /nfs/dbraw/zinc/04/53/42/985045342.db2.gz YTWMJRVHWSDHRH-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO FC1(F)C[NH2+]CCN(C2CCCCC2)C1 ZINC001257454903 985050842 /nfs/dbraw/zinc/05/08/42/985050842.db2.gz RJTHUSITBRHPRC-UHFFFAOYSA-N 1 2 218.291 1.860 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C(F)(F)F ZINC000041540742 985208037 /nfs/dbraw/zinc/20/80/37/985208037.db2.gz PVSIBWOUTBZIBJ-UHFFFAOYSA-N 1 2 235.209 1.342 20 0 BDADLO Nc1[nH+]cccc1-c1cc(F)cc(CO)c1 ZINC001243696739 985225056 /nfs/dbraw/zinc/22/50/56/985225056.db2.gz GDNFOBHRIGNUGC-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO Cc1cc(CO)cc(-c2c[nH+]cn2C)c1 ZINC001243697403 985230464 /nfs/dbraw/zinc/23/04/64/985230464.db2.gz MJSQLQIKZGLVGY-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO CCc1cn(CC(=O)c2cccc(OC)n2)c[nH+]1 ZINC001459263010 985416806 /nfs/dbraw/zinc/41/68/06/985416806.db2.gz QQLHZSPGXKBYSS-UHFFFAOYSA-N 1 2 245.282 1.732 20 0 BDADLO CS(=O)(=O)c1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243948627 985631002 /nfs/dbraw/zinc/63/10/02/985631002.db2.gz BNXAJBKJMSZNPN-UHFFFAOYSA-N 1 2 238.312 1.209 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCc2cscn2)no1 ZINC001459912084 985664024 /nfs/dbraw/zinc/66/40/24/985664024.db2.gz QBZLFGXNTPLPDN-ZETCQYMHSA-N 1 2 238.316 1.728 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(/C)C(=O)OC)C[C@H](C)O1 ZINC000689103290 985800873 /nfs/dbraw/zinc/80/08/73/985800873.db2.gz REHPUPHPPLTKLW-RPGNDLBOSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)OC)C[C@H](C)O1 ZINC000689103290 985800889 /nfs/dbraw/zinc/80/08/89/985800889.db2.gz REHPUPHPPLTKLW-RPGNDLBOSA-N 1 2 241.331 1.605 20 0 BDADLO Cc1ccc(C)c(Nc2cnc(N)nc2)[nH+]1 ZINC001212960674 985957223 /nfs/dbraw/zinc/95/72/23/985957223.db2.gz YJCXNYIYAZXBPF-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nnc(CO)[nH]1 ZINC001461840336 986189938 /nfs/dbraw/zinc/18/99/38/986189938.db2.gz CQEYZQDXIVPENN-NXEZZACHSA-N 1 2 238.335 1.213 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc(CO)[nH]2)CC1 ZINC001461840317 986191262 /nfs/dbraw/zinc/19/12/62/986191262.db2.gz CLRAHSRGZRSOKW-NXEZZACHSA-N 1 2 238.335 1.355 20 0 BDADLO CC(C)(C)OC(=O)[C@H](O)CNc1cccc[nH+]1 ZINC001253667832 986297353 /nfs/dbraw/zinc/29/73/53/986297353.db2.gz UQBLXGWNGACYNK-SECBINFHSA-N 1 2 238.287 1.196 20 0 BDADLO CCn1cnc(Cl)c1C[N@H+](C)[C@H](C)CO ZINC001462201850 986308396 /nfs/dbraw/zinc/30/83/96/986308396.db2.gz UBUCNWNMAAXYFC-MRVPVSSYSA-N 1 2 231.727 1.369 20 0 BDADLO CCn1cnc(Cl)c1C[N@@H+](C)[C@H](C)CO ZINC001462201850 986308403 /nfs/dbraw/zinc/30/84/03/986308403.db2.gz UBUCNWNMAAXYFC-MRVPVSSYSA-N 1 2 231.727 1.369 20 0 BDADLO Cc1nocc1NC(=O)c1cnc(C[NH3+])s1 ZINC001579924966 986347503 /nfs/dbraw/zinc/34/75/03/986347503.db2.gz IEDSPJYRNSMVGG-UHFFFAOYSA-N 1 2 238.272 1.151 20 0 BDADLO CC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096553246 986448754 /nfs/dbraw/zinc/44/87/54/986448754.db2.gz PJDMVBMCXSWLGS-NSHDSACASA-N 1 2 234.303 1.112 20 0 BDADLO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cn[nH]n1 ZINC000398277292 986475316 /nfs/dbraw/zinc/47/53/16/986475316.db2.gz DNBAWAGHPMKXBI-SECBINFHSA-N 1 2 234.278 1.665 20 0 BDADLO c1ncc2c(n1)C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000585332398 986656842 /nfs/dbraw/zinc/65/68/42/986656842.db2.gz VWVABZKCVAQXHU-JTQLQIEISA-N 1 2 219.288 1.219 20 0 BDADLO c1ncc2c(n1)C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000585332398 986656833 /nfs/dbraw/zinc/65/68/33/986656833.db2.gz VWVABZKCVAQXHU-JTQLQIEISA-N 1 2 219.288 1.219 20 0 BDADLO Cc1c(CN2CC(C)(CO)C2)[nH+]c2ccccn12 ZINC001137268534 986706618 /nfs/dbraw/zinc/70/66/18/986706618.db2.gz WRQCYCNYLPSHBG-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO Cc1c(C[NH+]2CC(C)(CO)C2)nc2ccccn12 ZINC001137268534 986706622 /nfs/dbraw/zinc/70/66/22/986706622.db2.gz WRQCYCNYLPSHBG-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO Cc1c(CN2CC3(CCO3)C2)[nH+]c2ccccn21 ZINC001137273379 986712805 /nfs/dbraw/zinc/71/28/05/986712805.db2.gz KWFDZPNBNKZODJ-UHFFFAOYSA-N 1 2 243.310 1.617 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)[nH]1 ZINC001137322561 986766579 /nfs/dbraw/zinc/76/65/79/986766579.db2.gz IMQCEEOSVVWSGK-ZYHUDNBSSA-N 1 2 226.295 1.536 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)[nH]1 ZINC001137322561 986766588 /nfs/dbraw/zinc/76/65/88/986766588.db2.gz IMQCEEOSVVWSGK-ZYHUDNBSSA-N 1 2 226.295 1.536 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC/C=C/c1ccccc1 ZINC001466494242 986805385 /nfs/dbraw/zinc/80/53/85/986805385.db2.gz HPUCICABYWZDQR-QPJJXVBHSA-N 1 2 241.294 1.782 20 0 BDADLO CC[C@](C)(O)C[NH2+][C@H](C)c1noc(C)n1 ZINC000393610424 986859473 /nfs/dbraw/zinc/85/94/73/986859473.db2.gz VDMNUKKVVIXQLG-XCBNKYQSSA-N 1 2 213.281 1.190 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnc(C(C)C)nc1 ZINC001467507648 986851849 /nfs/dbraw/zinc/85/18/49/986851849.db2.gz CZHASPCVNCKSDZ-NSHDSACASA-N 1 2 248.330 1.633 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnc(C(C)C)nc1 ZINC001467507648 986851856 /nfs/dbraw/zinc/85/18/56/986851856.db2.gz CZHASPCVNCKSDZ-NSHDSACASA-N 1 2 248.330 1.633 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnc(C(C)C)nc1 ZINC001467507647 986852706 /nfs/dbraw/zinc/85/27/06/986852706.db2.gz CZHASPCVNCKSDZ-LLVKDONJSA-N 1 2 248.330 1.633 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnc(C(C)C)nc1 ZINC001467507647 986852708 /nfs/dbraw/zinc/85/27/08/986852708.db2.gz CZHASPCVNCKSDZ-LLVKDONJSA-N 1 2 248.330 1.633 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139571319 986873542 /nfs/dbraw/zinc/87/35/42/986873542.db2.gz UYKNGOKLTFWPPJ-NSHDSACASA-N 1 2 249.289 1.694 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139571319 986873548 /nfs/dbraw/zinc/87/35/48/986873548.db2.gz UYKNGOKLTFWPPJ-NSHDSACASA-N 1 2 249.289 1.694 20 0 BDADLO c1[nH]c2ncccc2c1C[N@@H+]1CCC12COC2 ZINC001137401804 986879892 /nfs/dbraw/zinc/87/98/92/986879892.db2.gz IEVIEQKCFFHYQV-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO c1[nH]c2ncccc2c1C[N@H+]1CCC12COC2 ZINC001137401804 986879896 /nfs/dbraw/zinc/87/98/96/986879896.db2.gz IEVIEQKCFFHYQV-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO Cc1cc(C[NH+]2CC(N3CC(F)C3)C2)ccn1 ZINC001137407372 986884868 /nfs/dbraw/zinc/88/48/68/986884868.db2.gz MNYUUGLVIQYTOP-UHFFFAOYSA-N 1 2 235.306 1.228 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)ccn1 ZINC001137408332 986885999 /nfs/dbraw/zinc/88/59/99/986885999.db2.gz FHWMWLUWYALQQZ-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)ccn1 ZINC001137408332 986886005 /nfs/dbraw/zinc/88/60/05/986886005.db2.gz FHWMWLUWYALQQZ-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cncnc1 ZINC001137669290 986891791 /nfs/dbraw/zinc/89/17/91/986891791.db2.gz LINXYPZQFIWHJC-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cncnc1 ZINC001137669290 986891794 /nfs/dbraw/zinc/89/17/94/986891794.db2.gz LINXYPZQFIWHJC-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO Cc1nc(-c2c[nH+]c(N)c(C)c2)cc(N(C)C)n1 ZINC001245535553 986910683 /nfs/dbraw/zinc/91/06/83/986910683.db2.gz CTRLYCSDAIPVNL-UHFFFAOYSA-N 1 2 243.314 1.804 20 0 BDADLO Cc1cc(-c2ncnc3cnccc32)c[nH+]c1N ZINC001245535516 986910806 /nfs/dbraw/zinc/91/08/06/986910806.db2.gz ARRJQHUMERVHBT-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137474415 986921917 /nfs/dbraw/zinc/92/19/17/986921917.db2.gz SLESQMPNOQXHCR-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2F)C1 ZINC001137474415 986921919 /nfs/dbraw/zinc/92/19/19/986921919.db2.gz SLESQMPNOQXHCR-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO Cc1cc(-c2cncc3c2CC(=O)N3)c[nH+]c1N ZINC001245540654 986923970 /nfs/dbraw/zinc/92/39/70/986923970.db2.gz XMQPIOLPIDTKRY-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO CCOc1cnc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245539673 986924748 /nfs/dbraw/zinc/92/47/48/986924748.db2.gz IIYOVYGRVPAQRX-UHFFFAOYSA-N 1 2 230.271 1.828 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC001468813209 986939022 /nfs/dbraw/zinc/93/90/22/986939022.db2.gz IDBBYVYCAYGFOD-GDNZZTSVSA-N 1 2 233.315 1.125 20 0 BDADLO Cc1cc(CNC(=O)c2ccc[nH]2)cc(C)[nH+]1 ZINC001469143412 986968897 /nfs/dbraw/zinc/96/88/97/986968897.db2.gz VTSCBDZEJNGGKB-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO C[C@@H](CC(F)(F)F)N1CC[NH2+]CC(F)(F)C1 ZINC001255645746 987039222 /nfs/dbraw/zinc/03/92/22/987039222.db2.gz IEFZHADHQXXODW-ZETCQYMHSA-N 1 2 246.223 1.868 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)CCCF)[nH+]1 ZINC001472094154 987174684 /nfs/dbraw/zinc/17/46/84/987174684.db2.gz LOMHNWNYRCOTTE-UHFFFAOYSA-N 1 2 227.283 1.899 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)CCCF)c[nH+]1 ZINC001472094154 987174710 /nfs/dbraw/zinc/17/47/10/987174710.db2.gz LOMHNWNYRCOTTE-UHFFFAOYSA-N 1 2 227.283 1.899 20 0 BDADLO Cc1nc(NCCN(C)C(=O)[C@H]2C[C@@H]2C)cc[nH+]1 ZINC001101492470 987191207 /nfs/dbraw/zinc/19/12/07/987191207.db2.gz FIDJPHYCVRNBFF-ONGXEEELSA-N 1 2 248.330 1.311 20 0 BDADLO Cc1nc(NC[C@@H](C)CNC(=O)C2CC2)cc[nH+]1 ZINC001103838867 987257872 /nfs/dbraw/zinc/25/78/72/987257872.db2.gz PPHJFVJZVBQSTF-SECBINFHSA-N 1 2 248.330 1.359 20 0 BDADLO C[C@H]1COC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000694028676 987316390 /nfs/dbraw/zinc/31/63/90/987316390.db2.gz HQIRYLSFDOKDJP-TVQRCGJNSA-N 1 2 231.299 1.687 20 0 BDADLO c1ccc2c(C[NH2+]C[C@@H]3COCCO3)n[nH]c2c1 ZINC000694007412 987317171 /nfs/dbraw/zinc/31/71/71/987317171.db2.gz ZBENWTHWFNDHBD-SNVBAGLBSA-N 1 2 247.298 1.068 20 0 BDADLO COC(=O)c1cncc(Cn2cc[nH+]c2)c1 ZINC001473232549 987378941 /nfs/dbraw/zinc/37/89/41/987378941.db2.gz LCDVFLCHQJHJBE-UHFFFAOYSA-N 1 2 217.228 1.113 20 0 BDADLO C[C@@H](C(=O)N1CCSC[C@@H]1C)n1cc[nH+]c1 ZINC001116105065 987449366 /nfs/dbraw/zinc/44/93/66/987449366.db2.gz CXGUBLBHABPQDF-UWVGGRQHSA-N 1 2 239.344 1.408 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccncc1)CC(C)C ZINC001116255278 987501472 /nfs/dbraw/zinc/50/14/72/987501472.db2.gz TXEAHECRVFFPCT-UHFFFAOYSA-N 1 2 236.315 1.713 20 0 BDADLO COC(=O)C[N@H+](Cc1ccncc1)CC(C)C ZINC001116255278 987501480 /nfs/dbraw/zinc/50/14/80/987501480.db2.gz TXEAHECRVFFPCT-UHFFFAOYSA-N 1 2 236.315 1.713 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC001473615063 987508437 /nfs/dbraw/zinc/50/84/37/987508437.db2.gz XSGFXTFBTKHUKB-ZYHUDNBSSA-N 1 2 220.320 1.672 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC001473615063 987508441 /nfs/dbraw/zinc/50/84/41/987508441.db2.gz XSGFXTFBTKHUKB-ZYHUDNBSSA-N 1 2 220.320 1.672 20 0 BDADLO CNC(=O)c1cccc(C[NH2+]Cc2cnc[nH]2)c1 ZINC001473961455 987624270 /nfs/dbraw/zinc/62/42/70/987624270.db2.gz GHACHNXYGLYLMK-UHFFFAOYSA-N 1 2 244.298 1.059 20 0 BDADLO Cc1[nH]c(CNc2cnc3n[nH]cc3c2)[nH+]c1C ZINC001474286213 987672777 /nfs/dbraw/zinc/67/27/77/987672777.db2.gz BLKLJJXPDYLVGH-UHFFFAOYSA-N 1 2 242.286 1.910 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](n3cccn3)C2)o1 ZINC001117660792 987855159 /nfs/dbraw/zinc/85/51/59/987855159.db2.gz CWILJZYBSXURDC-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](n3cccn3)C2)o1 ZINC001117660792 987855162 /nfs/dbraw/zinc/85/51/62/987855162.db2.gz CWILJZYBSXURDC-JTQLQIEISA-N 1 2 233.275 1.022 20 0 BDADLO COCn1ncc(C)c1C[NH2+]Cc1ccon1 ZINC001117662289 987855448 /nfs/dbraw/zinc/85/54/48/987855448.db2.gz WWLXLUSAIASXNA-UHFFFAOYSA-N 1 2 236.275 1.073 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]1C1CC1 ZINC001117770072 987900174 /nfs/dbraw/zinc/90/01/74/987900174.db2.gz FIXMGUAZXCVNRX-LLVKDONJSA-N 1 2 241.294 1.959 20 0 BDADLO C[C@H](C(=O)N(C)CC(C)(C)C)n1cc[nH+]c1 ZINC001321436851 987905180 /nfs/dbraw/zinc/90/51/80/987905180.db2.gz BDVFCIRCNFFDBV-SNVBAGLBSA-N 1 2 223.320 1.949 20 0 BDADLO CCc1ccc(C[NH+]2CC(NC(=O)OC)C2)cc1 ZINC001117814189 987933528 /nfs/dbraw/zinc/93/35/28/987933528.db2.gz IHXATSGMXGBIAS-UHFFFAOYSA-N 1 2 248.326 1.789 20 0 BDADLO COCCc1cc[nH+]c(NCc2cc(C)[nH]n2)c1 ZINC001321836777 988022753 /nfs/dbraw/zinc/02/27/53/988022753.db2.gz QNVRFZKYTOKBDE-UHFFFAOYSA-N 1 2 246.314 1.914 20 0 BDADLO CC(C)[NH2+]C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001321855040 988028218 /nfs/dbraw/zinc/02/82/18/988028218.db2.gz FJCURQCTTCEQGU-BQBZGAKWSA-N 1 2 244.232 1.390 20 0 BDADLO CC(C)[NH2+]C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001321855040 988028233 /nfs/dbraw/zinc/02/82/33/988028233.db2.gz FJCURQCTTCEQGU-BQBZGAKWSA-N 1 2 244.232 1.390 20 0 BDADLO CCC(C)(C)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001494443691 988139284 /nfs/dbraw/zinc/13/92/84/988139284.db2.gz LHBMCVFKHJFBCM-SNVBAGLBSA-N 1 2 242.363 1.258 20 0 BDADLO CCC1(C(=O)NC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001494446528 988143358 /nfs/dbraw/zinc/14/33/58/988143358.db2.gz RIWNRMAIBDUWBK-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)n(C)n1 ZINC001322301339 988198249 /nfs/dbraw/zinc/19/82/49/988198249.db2.gz GJLYVMAJIGHNDG-UWVGGRQHSA-N 1 2 248.334 1.269 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2CCCOC2)o1 ZINC001322340839 988211481 /nfs/dbraw/zinc/21/14/81/988211481.db2.gz WGLMAOJEZBVGEC-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2COc3ccccc32)o1 ZINC001322339003 988213360 /nfs/dbraw/zinc/21/33/60/988213360.db2.gz FZKVGKWXFZMKML-JTQLQIEISA-N 1 2 245.282 1.656 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OCC23CCC3)[nH]n1 ZINC001118310458 988213917 /nfs/dbraw/zinc/21/39/17/988213917.db2.gz DOVRWYHQPVNMRF-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)[nH]n1 ZINC001118310458 988213929 /nfs/dbraw/zinc/21/39/29/988213929.db2.gz DOVRWYHQPVNMRF-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO C[NH+](C)Cc1nnc(C2CCSCC2)o1 ZINC001322400977 988249065 /nfs/dbraw/zinc/24/90/65/988249065.db2.gz ZPSJATGZVGHOCS-UHFFFAOYSA-N 1 2 227.333 1.742 20 0 BDADLO CC(=O)N(C)CC[N@H+](C)Cc1nc(C)cs1 ZINC001496642675 988309046 /nfs/dbraw/zinc/30/90/46/988309046.db2.gz AZAPXQVCDHJFBB-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CC(=O)N(C)CC[N@@H+](C)Cc1nc(C)cs1 ZINC001496642675 988309062 /nfs/dbraw/zinc/30/90/62/988309062.db2.gz AZAPXQVCDHJFBB-UHFFFAOYSA-N 1 2 241.360 1.362 20 0 BDADLO CC(C)C[C@@H]1CC[N@H+](Cc2nnc[nH]2)C1 ZINC001118556479 988431771 /nfs/dbraw/zinc/43/17/71/988431771.db2.gz HKXCFOCCDWFBNJ-JTQLQIEISA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)C1 ZINC001118556479 988431783 /nfs/dbraw/zinc/43/17/83/988431783.db2.gz HKXCFOCCDWFBNJ-JTQLQIEISA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001118713610 988521733 /nfs/dbraw/zinc/52/17/33/988521733.db2.gz DNLFRMKDMWKGMG-VHSXEESVSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](C(=O)NCCCCCCO)n1cc[nH+]c1 ZINC001323452152 988533756 /nfs/dbraw/zinc/53/37/56/988533756.db2.gz LOFHIXPMYNKVLJ-NSHDSACASA-N 1 2 239.319 1.113 20 0 BDADLO CCCCCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001499630245 988552908 /nfs/dbraw/zinc/55/29/08/988552908.db2.gz PNSGEBCSMKPOKR-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001323734381 988596421 /nfs/dbraw/zinc/59/64/21/988596421.db2.gz DHJSFHVCEDDRMN-NWDGAFQWSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1cncc([C@H](C)[NH2+]Cc2nncn2C)c1 ZINC001324000928 988664417 /nfs/dbraw/zinc/66/44/17/988664417.db2.gz UCNGXDAZXLUEHP-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@]12C[C@H]1CCCC2 ZINC001119052326 988817550 /nfs/dbraw/zinc/81/75/50/988817550.db2.gz IGHOSEMAUCTTMY-SCRDCRAPSA-N 1 2 247.342 1.968 20 0 BDADLO Cc1ccncc1-c1noc(Cc2c[nH]c[nH+]2)n1 ZINC001247138001 988850171 /nfs/dbraw/zinc/85/01/71/988850171.db2.gz PVZQQPPZLPVSEU-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(C)c1O ZINC001546336893 988883227 /nfs/dbraw/zinc/88/32/27/988883227.db2.gz ZFWYAXPNIMDSOF-LLVKDONJSA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(C)c1O ZINC001546336893 988883228 /nfs/dbraw/zinc/88/32/28/988883228.db2.gz ZFWYAXPNIMDSOF-LLVKDONJSA-N 1 2 234.299 1.733 20 0 BDADLO [NH3+][C@H](CO)c1nc(-c2ccc(F)cc2F)no1 ZINC001247492025 988899956 /nfs/dbraw/zinc/89/99/56/988899956.db2.gz YNOUCTGJEOKGTA-MRVPVSSYSA-N 1 2 241.197 1.007 20 0 BDADLO CCC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001514729566 988928047 /nfs/dbraw/zinc/92/80/47/988928047.db2.gz NWVTYSMNBHQMFV-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO C[C@H]([NH2+]Cc1cccn1C1CC1)c1ncnn1C ZINC001119345353 988988192 /nfs/dbraw/zinc/98/81/92/988988192.db2.gz OQDIWBPHTUNRRG-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO CC(C)(C)[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001515101778 988990555 /nfs/dbraw/zinc/99/05/55/988990555.db2.gz USWLRCFLBBUPPL-JTQLQIEISA-N 1 2 221.304 1.599 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001119409959 989046950 /nfs/dbraw/zinc/04/69/50/989046950.db2.gz SMRARHORGYOFOK-UWVGGRQHSA-N 1 2 225.292 1.114 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001119409959 989046967 /nfs/dbraw/zinc/04/69/67/989046967.db2.gz SMRARHORGYOFOK-UWVGGRQHSA-N 1 2 225.292 1.114 20 0 BDADLO Cc1coc(CN2CCn3c[nH+]cc3C2)c1 ZINC001119448221 989079694 /nfs/dbraw/zinc/07/96/94/989079694.db2.gz FXUCPXBZSGPLGH-UHFFFAOYSA-N 1 2 217.272 1.800 20 0 BDADLO CCc1cccc(-c2noc([C@@H]([NH3+])COC)n2)c1 ZINC001248186279 989080156 /nfs/dbraw/zinc/08/01/56/989080156.db2.gz JLOMQRAYAVBSNQ-NSHDSACASA-N 1 2 247.298 1.945 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](O)CC(F)(F)C2)[nH+]1 ZINC001515682848 989098079 /nfs/dbraw/zinc/09/80/79/989098079.db2.gz QPECJMNMULHVLR-SECBINFHSA-N 1 2 246.232 1.735 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC/C=C/C1CC1 ZINC001325150782 989098916 /nfs/dbraw/zinc/09/89/16/989098916.db2.gz IEMFSRCLCDGUSM-NSCUHMNNSA-N 1 2 233.315 1.435 20 0 BDADLO C[C@@H](C(=O)NCC[C@H]1CCCO1)n1cc[nH+]c1 ZINC001119525332 989126504 /nfs/dbraw/zinc/12/65/04/989126504.db2.gz VQRLBMJDGNVATD-WDEREUQCSA-N 1 2 237.303 1.129 20 0 BDADLO O=C(NC/C=C\C1CC1)NCCn1cc[nH+]c1 ZINC001325345316 989164828 /nfs/dbraw/zinc/16/48/28/989164828.db2.gz XFLGPONVMQHJSH-UPHRSURJSA-N 1 2 234.303 1.149 20 0 BDADLO CN1CC[NH+](Cc2ccc3n2CCC3)CC1 ZINC001248820457 989178856 /nfs/dbraw/zinc/17/88/56/989178856.db2.gz MPTSMKZSCGNAPV-UHFFFAOYSA-N 1 2 219.332 1.182 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001325415932 989182657 /nfs/dbraw/zinc/18/26/57/989182657.db2.gz MJNVMGTXPQFDLE-WOPDTQHZSA-N 1 2 235.331 1.852 20 0 BDADLO O=C(CC1COC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001119592983 989197951 /nfs/dbraw/zinc/19/79/51/989197951.db2.gz MFUCHIRMXDZFMN-UHFFFAOYSA-N 1 2 249.314 1.152 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001248856890 989198114 /nfs/dbraw/zinc/19/81/14/989198114.db2.gz ATYJMJXDDXTHSF-CMPLNLGQSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001248856890 989198117 /nfs/dbraw/zinc/19/81/17/989198117.db2.gz ATYJMJXDDXTHSF-CMPLNLGQSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cncc(C)c2)n1C ZINC001325599539 989216116 /nfs/dbraw/zinc/21/61/16/989216116.db2.gz DAXZTILLEPEZOV-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1cncnc1)c1nncn1C ZINC001325661149 989225119 /nfs/dbraw/zinc/22/51/19/989225119.db2.gz ZKCLGIRJEUOVMT-NSHDSACASA-N 1 2 246.318 1.092 20 0 BDADLO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ncco1 ZINC001119631908 989267121 /nfs/dbraw/zinc/26/71/21/989267121.db2.gz IHQPHKSMDBHIAJ-CYVIZDSUSA-N 1 2 216.306 1.092 20 0 BDADLO Cc1cc([C@H](C)[NH2+]CC(=O)NCC(C)C)no1 ZINC001325873106 989288651 /nfs/dbraw/zinc/28/86/51/989288651.db2.gz LADLLCJPLTUIAR-JTQLQIEISA-N 1 2 239.319 1.406 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H](C)C2)ns1 ZINC001249571835 989310700 /nfs/dbraw/zinc/31/07/00/989310700.db2.gz WURDMCBTXKAGII-VIFPVBQESA-N 1 2 226.345 1.920 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H](C)C2)ns1 ZINC001249571835 989310703 /nfs/dbraw/zinc/31/07/03/989310703.db2.gz WURDMCBTXKAGII-VIFPVBQESA-N 1 2 226.345 1.920 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cc(C)sn2)C1 ZINC001249571678 989311025 /nfs/dbraw/zinc/31/10/25/989311025.db2.gz SUSFMFDBBMWFOR-JTQLQIEISA-N 1 2 212.318 1.672 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cc(C)sn2)C1 ZINC001249571678 989311035 /nfs/dbraw/zinc/31/10/35/989311035.db2.gz SUSFMFDBBMWFOR-JTQLQIEISA-N 1 2 212.318 1.672 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(=O)N(C)CC2)ns1 ZINC001249581191 989312210 /nfs/dbraw/zinc/31/22/10/989312210.db2.gz FGPMYYFQEIFHOH-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1cc(C[N@H+]2CCC(=O)N(C)CC2)ns1 ZINC001249581191 989312217 /nfs/dbraw/zinc/31/22/17/989312217.db2.gz FGPMYYFQEIFHOH-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO CC1(OCC(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC001325968295 989315670 /nfs/dbraw/zinc/31/56/70/989315670.db2.gz RXQKILDCXLKSDR-UHFFFAOYSA-N 1 2 249.314 1.185 20 0 BDADLO Cc1cc(C[N@H+](C)CCC2OCCO2)ns1 ZINC001249588459 989319784 /nfs/dbraw/zinc/31/97/84/989319784.db2.gz HGOXOGYTQRDOBR-UHFFFAOYSA-N 1 2 242.344 1.646 20 0 BDADLO Cc1cc(C[N@@H+](C)CCC2OCCO2)ns1 ZINC001249588459 989319795 /nfs/dbraw/zinc/31/97/95/989319795.db2.gz HGOXOGYTQRDOBR-UHFFFAOYSA-N 1 2 242.344 1.646 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC001326067740 989359336 /nfs/dbraw/zinc/35/93/36/989359336.db2.gz XFBMXVGJAOQXNC-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC001326067740 989359346 /nfs/dbraw/zinc/35/93/46/989359346.db2.gz XFBMXVGJAOQXNC-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCc1ccoc1 ZINC001519043098 989375373 /nfs/dbraw/zinc/37/53/73/989375373.db2.gz ZQKNXUJMCBGYIT-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO CC(C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001519217077 989388504 /nfs/dbraw/zinc/38/85/04/989388504.db2.gz XKKVIZOQUNXATM-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@H]1F ZINC001519515038 989426099 /nfs/dbraw/zinc/42/60/99/989426099.db2.gz ROZLOUOPHRSLFH-UWVGGRQHSA-N 1 2 237.278 1.358 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001519699254 989444854 /nfs/dbraw/zinc/44/48/54/989444854.db2.gz CAZMCJQKFRJYCA-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H](c1cnn(C)c1)c1nnc(C[NH+](C)C)o1 ZINC001326291697 989470712 /nfs/dbraw/zinc/47/07/12/989470712.db2.gz DDTCVDZVABEJGG-QMMMGPOBSA-N 1 2 235.291 1.017 20 0 BDADLO CNc1cc(N[C@@H](C)c2noc(C)n2)nc[nH+]1 ZINC001119948219 989498872 /nfs/dbraw/zinc/49/88/72/989498872.db2.gz KAJYOWGCHZQAJS-LURJTMIESA-N 1 2 234.263 1.383 20 0 BDADLO CNc1cc(N[C@@H](C)c2noc(C)n2)[nH+]cn1 ZINC001119948219 989498882 /nfs/dbraw/zinc/49/88/82/989498882.db2.gz KAJYOWGCHZQAJS-LURJTMIESA-N 1 2 234.263 1.383 20 0 BDADLO CC[C@@H](CO)Nc1cc(N2CC=CCC2)nc[nH+]1 ZINC001119954525 989507436 /nfs/dbraw/zinc/50/74/36/989507436.db2.gz PVGOVBNNTILNMW-NSHDSACASA-N 1 2 248.330 1.426 20 0 BDADLO CC[C@@H](CO)Nc1cc(N2CC=CCC2)[nH+]cn1 ZINC001119954525 989507459 /nfs/dbraw/zinc/50/74/59/989507459.db2.gz PVGOVBNNTILNMW-NSHDSACASA-N 1 2 248.330 1.426 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CC1(F)F ZINC001520443047 989563661 /nfs/dbraw/zinc/56/36/61/989563661.db2.gz UOMWFWOIAJRMKV-MRVPVSSYSA-N 1 2 230.214 1.601 20 0 BDADLO C[C@H](C(=O)N1CCC[C@@H](F)C1)n1cc[nH+]c1 ZINC001326627394 989630079 /nfs/dbraw/zinc/63/00/79/989630079.db2.gz POHLVEMVZLITDF-NXEZZACHSA-N 1 2 225.267 1.405 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001326708317 989660758 /nfs/dbraw/zinc/66/07/58/989660758.db2.gz MTHHVHKXYUEGPN-JTQLQIEISA-N 1 2 233.258 1.669 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001326708317 989660762 /nfs/dbraw/zinc/66/07/62/989660762.db2.gz MTHHVHKXYUEGPN-JTQLQIEISA-N 1 2 233.258 1.669 20 0 BDADLO [NH3+][C@@H](CC(=O)N(C1CC1)C1CC1)C(F)F ZINC001522185790 989836103 /nfs/dbraw/zinc/83/61/03/989836103.db2.gz ZNQMIFCIVHNBFC-QMMMGPOBSA-N 1 2 218.247 1.122 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC001120704824 989838024 /nfs/dbraw/zinc/83/80/24/989838024.db2.gz NCCKNEXDNMXRGY-GXSJLCMTSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](CO)C2)[nH+]1 ZINC001120818059 989900175 /nfs/dbraw/zinc/90/01/75/989900175.db2.gz OXNSEVUDFRMNJR-VIFPVBQESA-N 1 2 210.252 1.348 20 0 BDADLO CCc1ccc(N(C)[C@@H](C)CCO)[nH+]c1 ZINC001120862297 989931745 /nfs/dbraw/zinc/93/17/45/989931745.db2.gz OEBLKQQCIMWZBR-JTQLQIEISA-N 1 2 208.305 1.851 20 0 BDADLO Nc1cc(N2CC[C@@H](C3CCC3)C2)[nH+]cn1 ZINC001120942267 989980665 /nfs/dbraw/zinc/98/06/65/989980665.db2.gz UYFQBKJHMPINOW-SNVBAGLBSA-N 1 2 218.304 1.685 20 0 BDADLO CCc1ocnc1C(=O)OCc1c[nH+]cn1CC ZINC001527012783 990198634 /nfs/dbraw/zinc/19/86/34/990198634.db2.gz XQHNDSBMPNDUDQ-UHFFFAOYSA-N 1 2 249.270 1.810 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cccnc1C ZINC001527012555 990198837 /nfs/dbraw/zinc/19/88/37/990198837.db2.gz UIRIPQFRXYYHIW-UHFFFAOYSA-N 1 2 245.282 1.963 20 0 BDADLO [NH3+][C@@H](CC(=O)N[C@@H]1C=CCCC1)C(F)F ZINC001122119174 990248972 /nfs/dbraw/zinc/24/89/72/990248972.db2.gz QUBBOLGQKZDDAK-SFYZADRCSA-N 1 2 218.247 1.194 20 0 BDADLO CNc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC001122167584 990272851 /nfs/dbraw/zinc/27/28/51/990272851.db2.gz UZGBUEGRWXJRND-VIFPVBQESA-N 1 2 243.257 1.649 20 0 BDADLO [NH3+][C@@H](CC(=O)NC[C@]12C[C@H]1CCC2)C(F)F ZINC001122322442 990342794 /nfs/dbraw/zinc/34/27/94/990342794.db2.gz KSRGFEQRPJOFEJ-FYBVGQRMSA-N 1 2 232.274 1.275 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)CCCF ZINC001122973624 990477390 /nfs/dbraw/zinc/47/73/90/990477390.db2.gz JBKVAEWDQSNLOF-UHFFFAOYSA-N 1 2 228.267 1.646 20 0 BDADLO CNc1cc(CNC(=O)NCC(F)F)cc[nH+]1 ZINC001123329233 990547927 /nfs/dbraw/zinc/54/79/27/990547927.db2.gz FIZLLXDWIRQRGZ-UHFFFAOYSA-N 1 2 244.245 1.188 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccnc1 ZINC001540397869 990616246 /nfs/dbraw/zinc/61/62/46/990616246.db2.gz STGLFFLCCNEASL-JTQLQIEISA-N 1 2 205.261 1.114 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccnc1 ZINC001540397869 990616257 /nfs/dbraw/zinc/61/62/57/990616257.db2.gz STGLFFLCCNEASL-JTQLQIEISA-N 1 2 205.261 1.114 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1nc2ccccc2[nH]1 ZINC001540522173 990623593 /nfs/dbraw/zinc/62/35/93/990623593.db2.gz KHGMWTZQMZYFBV-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1c(C)nn(C)c1C ZINC001540537739 990624146 /nfs/dbraw/zinc/62/41/46/990624146.db2.gz HYNZUNUVKRRLJK-SNVBAGLBSA-N 1 2 236.319 1.070 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1c(C)nn(C)c1C ZINC001540537739 990624152 /nfs/dbraw/zinc/62/41/52/990624152.db2.gz HYNZUNUVKRRLJK-SNVBAGLBSA-N 1 2 236.319 1.070 20 0 BDADLO Cc1cccnc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001544099963 990710806 /nfs/dbraw/zinc/71/08/06/990710806.db2.gz QDUHIDLJHCPJTI-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001548698906 990776004 /nfs/dbraw/zinc/77/60/04/990776004.db2.gz SCHSLINAGVWXLM-LLVKDONJSA-N 1 2 247.342 1.777 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(F)F ZINC001548717230 990780548 /nfs/dbraw/zinc/78/05/48/990780548.db2.gz BZCBDRPBAFJBKK-XLPZGREQSA-N 1 2 243.257 1.293 20 0 BDADLO CCC(C)(C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828180685 990822558 /nfs/dbraw/zinc/82/25/58/990822558.db2.gz GESMAOGXBWJWOG-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2c1cccc2F ZINC001556124224 990805930 /nfs/dbraw/zinc/80/59/30/990805930.db2.gz JNFPNBGFYSKKLG-UHFFFAOYSA-N 1 2 245.257 1.681 20 0 BDADLO C[N@H+](Cc1ccc(F)nc1)Cc1cncnc1 ZINC001137744056 990846020 /nfs/dbraw/zinc/84/60/20/990846020.db2.gz MIZGHBCBISZVIV-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO C[N@@H+](Cc1ccc(F)nc1)Cc1cncnc1 ZINC001137744056 990846021 /nfs/dbraw/zinc/84/60/21/990846021.db2.gz MIZGHBCBISZVIV-UHFFFAOYSA-N 1 2 232.262 1.643 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnc(N)nc1 ZINC001138166270 990893792 /nfs/dbraw/zinc/89/37/92/990893792.db2.gz KZBAKQAXXBNFNP-JTQLQIEISA-N 1 2 243.314 1.437 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnc(N)nc1 ZINC001138166270 990893795 /nfs/dbraw/zinc/89/37/95/990893795.db2.gz KZBAKQAXXBNFNP-JTQLQIEISA-N 1 2 243.314 1.437 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOc1ccccc1F ZINC001558226570 990932349 /nfs/dbraw/zinc/93/23/49/990932349.db2.gz NUXWONGWOZEPDC-UHFFFAOYSA-N 1 2 249.245 1.523 20 0 BDADLO C=C/C=C/CC(=O)NCCc1[nH+]ccn1C ZINC001558288134 990935063 /nfs/dbraw/zinc/93/50/63/990935063.db2.gz ADEBCNSQHAYJBV-SNAWJCMRSA-N 1 2 219.288 1.211 20 0 BDADLO Cn1cnc2c1C[N@H+](Cc1ncccc1O)CC2 ZINC001138397169 990938307 /nfs/dbraw/zinc/93/83/07/990938307.db2.gz WDTKOGJGYHMXFZ-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cnc2c1C[N@@H+](Cc1ncccc1O)CC2 ZINC001138397169 990938311 /nfs/dbraw/zinc/93/83/11/990938311.db2.gz WDTKOGJGYHMXFZ-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO CCc1nc[nH]c1C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001558498021 990953971 /nfs/dbraw/zinc/95/39/71/990953971.db2.gz LJCVDKFOIHLUAH-UHFFFAOYSA-N 1 2 247.302 1.188 20 0 BDADLO CCc1nc[nH]c1C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001558498021 990953983 /nfs/dbraw/zinc/95/39/83/990953983.db2.gz LJCVDKFOIHLUAH-UHFFFAOYSA-N 1 2 247.302 1.188 20 0 BDADLO CCc1[nH]c(CNC(=O)c2c(C)noc2C)c[nH+]1 ZINC001558497438 990956043 /nfs/dbraw/zinc/95/60/43/990956043.db2.gz OIQRACNJUNWTSJ-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2c(C)noc2C)[nH+]1 ZINC001558497438 990956060 /nfs/dbraw/zinc/95/60/60/990956060.db2.gz OIQRACNJUNWTSJ-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CCO[C@@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558562003 990968514 /nfs/dbraw/zinc/96/85/14/990968514.db2.gz ZKWSQYMJYKUROY-VIFPVBQESA-N 1 2 239.319 1.574 20 0 BDADLO CCO[C@@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558562003 990968523 /nfs/dbraw/zinc/96/85/23/990968523.db2.gz ZKWSQYMJYKUROY-VIFPVBQESA-N 1 2 239.319 1.574 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC001258078888 990979316 /nfs/dbraw/zinc/97/93/16/990979316.db2.gz HXUJMRKIFWGTCG-GHMZBOCLSA-N 1 2 229.320 1.245 20 0 BDADLO Cc1cc(CNc2nc(N(C)C)n[nH]2)cc(C)[nH+]1 ZINC001308399079 990984646 /nfs/dbraw/zinc/98/46/46/990984646.db2.gz WVMUBFGRNZFXQV-UHFFFAOYSA-N 1 2 246.318 1.495 20 0 BDADLO CCCn1c[nH+]cc1CNc1nncn1CC ZINC001308528591 991018727 /nfs/dbraw/zinc/01/87/27/991018727.db2.gz SCSHZNMSODKQBK-UHFFFAOYSA-N 1 2 234.307 1.517 20 0 BDADLO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)n[nH]1 ZINC001558998756 991020434 /nfs/dbraw/zinc/02/04/34/991020434.db2.gz PKZIFLBHIRHMLW-JTQLQIEISA-N 1 2 248.330 1.027 20 0 BDADLO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)n[nH]1 ZINC001558998756 991020439 /nfs/dbraw/zinc/02/04/39/991020439.db2.gz PKZIFLBHIRHMLW-JTQLQIEISA-N 1 2 248.330 1.027 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc3[nH]ccc3c2)CCC1=O ZINC001138736969 991021807 /nfs/dbraw/zinc/02/18/07/991021807.db2.gz LJLTVQNJJZOJFT-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2)CCC1=O ZINC001138736969 991021819 /nfs/dbraw/zinc/02/18/19/991021819.db2.gz LJLTVQNJJZOJFT-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nnnn2C)cc(C)n1 ZINC001308542042 991025425 /nfs/dbraw/zinc/02/54/25/991025425.db2.gz CEIFBYOKPAGCOD-JTQLQIEISA-N 1 2 246.318 1.073 20 0 BDADLO C[C@H]1C[C@H]([NH+]2CC(F)(CO)C2)C[C@@H](C)C1 ZINC001258158794 991029854 /nfs/dbraw/zinc/02/98/54/991029854.db2.gz FXRREISKIVPIOC-URLYPYJESA-N 1 2 215.312 1.827 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nc(CO)cs1 ZINC001308573065 991049242 /nfs/dbraw/zinc/04/92/42/991049242.db2.gz LTJDNHQFHGWQQY-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nc(CO)cs1 ZINC001308573065 991049248 /nfs/dbraw/zinc/04/92/48/991049248.db2.gz LTJDNHQFHGWQQY-SECBINFHSA-N 1 2 242.344 1.246 20 0 BDADLO Clc1cc(C[N@@H+]2CCn3nccc3C2)ccn1 ZINC001138821302 991072912 /nfs/dbraw/zinc/07/29/12/991072912.db2.gz LHCRISPJRREXPU-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cc(C[N@H+]2CCn3nccc3C2)ccn1 ZINC001138821302 991072924 /nfs/dbraw/zinc/07/29/24/991072924.db2.gz LHCRISPJRREXPU-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)nn1C ZINC001138830319 991080542 /nfs/dbraw/zinc/08/05/42/991080542.db2.gz GOPCAIZXRKKGSN-PHIMTYICSA-N 1 2 233.315 1.139 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)nn1C ZINC001138830319 991080552 /nfs/dbraw/zinc/08/05/52/991080552.db2.gz GOPCAIZXRKKGSN-PHIMTYICSA-N 1 2 233.315 1.139 20 0 BDADLO C[C@@H](Cc1ccco1)[NH+]1CC(N(C)C)C1 ZINC001258187670 991093790 /nfs/dbraw/zinc/09/37/90/991093790.db2.gz ZFHNIAFSYSXXES-JTQLQIEISA-N 1 2 208.305 1.456 20 0 BDADLO Cc1c[nH]c(C[NH+]2CCC(n3cccn3)CC2)n1 ZINC001138938457 991108155 /nfs/dbraw/zinc/10/81/55/991108155.db2.gz PWUSQCGLDLGBRO-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2nc(C)c[nH]2)CC12CC2 ZINC001138941328 991109762 /nfs/dbraw/zinc/10/97/62/991109762.db2.gz FEXRQURHFNPQLR-JTQLQIEISA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2nc(C)c[nH]2)CC12CC2 ZINC001138941328 991109770 /nfs/dbraw/zinc/10/97/70/991109770.db2.gz FEXRQURHFNPQLR-JTQLQIEISA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)Cc1ccco1 ZINC001258196769 991111736 /nfs/dbraw/zinc/11/17/36/991111736.db2.gz ZFURMVXOVLKCCV-SECBINFHSA-N 1 2 211.261 1.315 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)Cc1ccco1 ZINC001258196769 991111744 /nfs/dbraw/zinc/11/17/44/991111744.db2.gz ZFURMVXOVLKCCV-SECBINFHSA-N 1 2 211.261 1.315 20 0 BDADLO CCc1cn(CC(=O)C2(Cl)CC2)c[nH+]1 ZINC001559465785 991112055 /nfs/dbraw/zinc/11/20/55/991112055.db2.gz AEQAYRYWFDCBOK-UHFFFAOYSA-N 1 2 212.680 1.786 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H](C)CCSC ZINC001258213250 991133326 /nfs/dbraw/zinc/13/33/26/991133326.db2.gz ZBNVPNGHIKONEC-VIFPVBQESA-N 1 2 219.350 1.671 20 0 BDADLO COc1nscc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC001559521896 991135012 /nfs/dbraw/zinc/13/50/12/991135012.db2.gz RIPOUYZSXBPEQG-VIFPVBQESA-N 1 2 242.344 1.763 20 0 BDADLO COc1nscc1C[N@H+]1CCCO[C@@H](C)C1 ZINC001559521896 991135018 /nfs/dbraw/zinc/13/50/18/991135018.db2.gz RIPOUYZSXBPEQG-VIFPVBQESA-N 1 2 242.344 1.763 20 0 BDADLO Cc1n[nH]c(C)c1C[NH+]1CC(OC(C)C)C1 ZINC001139100538 991148972 /nfs/dbraw/zinc/14/89/72/991148972.db2.gz MWGMCRQBNISZKV-UHFFFAOYSA-N 1 2 223.320 1.636 20 0 BDADLO COc1cccc2c1C[N@H+](C[C@H]1CCC(=O)N1)C2 ZINC001202898490 991155575 /nfs/dbraw/zinc/15/55/75/991155575.db2.gz IEIAZZOWIRKYTQ-LLVKDONJSA-N 1 2 246.310 1.289 20 0 BDADLO COc1cccc2c1C[N@@H+](C[C@H]1CCC(=O)N1)C2 ZINC001202898490 991155578 /nfs/dbraw/zinc/15/55/78/991155578.db2.gz IEIAZZOWIRKYTQ-LLVKDONJSA-N 1 2 246.310 1.289 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258275506 991196991 /nfs/dbraw/zinc/19/69/91/991196991.db2.gz MPKCIPIPZJJLSS-QWRGUYRKSA-N 1 2 243.347 1.469 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3ccncc3C2)s1 ZINC001139228109 991203447 /nfs/dbraw/zinc/20/34/47/991203447.db2.gz UUYMDCLPZNEAEG-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3ccncc3C2)s1 ZINC001139228109 991203463 /nfs/dbraw/zinc/20/34/63/991203463.db2.gz UUYMDCLPZNEAEG-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1[nH+]cccc1CNc1cnn2c1CCCC2 ZINC001308899162 991208360 /nfs/dbraw/zinc/20/83/60/991208360.db2.gz QYILJACVXZQKSV-UHFFFAOYSA-N 1 2 243.314 1.809 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnc(N)s1)C2 ZINC001139231281 991209981 /nfs/dbraw/zinc/20/99/81/991209981.db2.gz RLAUTRAAAUCLPL-KWQFWETISA-N 1 2 239.344 1.479 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnc(N)s1)C2 ZINC001139231281 991209996 /nfs/dbraw/zinc/20/99/96/991209996.db2.gz RLAUTRAAAUCLPL-KWQFWETISA-N 1 2 239.344 1.479 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1)C(F)F ZINC001308914053 991214838 /nfs/dbraw/zinc/21/48/38/991214838.db2.gz JQUNJHYJLIHFPX-BIIVOSGPSA-N 1 2 241.303 1.053 20 0 BDADLO CCC1(CN2CCn3c(C)[nH+]cc3C2)COC1 ZINC001202927043 991234823 /nfs/dbraw/zinc/23/48/23/991234823.db2.gz OKCLAHWFOKWIST-UHFFFAOYSA-N 1 2 235.331 1.434 20 0 BDADLO Nc1ncnc(Cl)c1C[NH+]1CCCC1 ZINC001139435291 991236964 /nfs/dbraw/zinc/23/69/64/991236964.db2.gz JUMKHCKDTQZMML-UHFFFAOYSA-N 1 2 212.684 1.308 20 0 BDADLO CCC[N@H+](C)Cc1c(N)ncnc1Cl ZINC001139434869 991238140 /nfs/dbraw/zinc/23/81/40/991238140.db2.gz BAOZRXNVFQPKCM-UHFFFAOYSA-N 1 2 214.700 1.554 20 0 BDADLO CCC[N@@H+](C)Cc1c(N)ncnc1Cl ZINC001139434869 991238146 /nfs/dbraw/zinc/23/81/46/991238146.db2.gz BAOZRXNVFQPKCM-UHFFFAOYSA-N 1 2 214.700 1.554 20 0 BDADLO COC[C@@]1(C)CC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001559855178 991283176 /nfs/dbraw/zinc/28/31/76/991283176.db2.gz STLMIMZYJVOXBL-ONGXEEELSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@@]1(C)CC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001559855178 991283189 /nfs/dbraw/zinc/28/31/89/991283189.db2.gz STLMIMZYJVOXBL-ONGXEEELSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@@]1(C)CC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001559855176 991284257 /nfs/dbraw/zinc/28/42/57/991284257.db2.gz STLMIMZYJVOXBL-KOLCDFICSA-N 1 2 241.360 1.958 20 0 BDADLO COC[C@@]1(C)CC[N@H+]([C@H](C)c2csnn2)C1 ZINC001559855176 991284267 /nfs/dbraw/zinc/28/42/67/991284267.db2.gz STLMIMZYJVOXBL-KOLCDFICSA-N 1 2 241.360 1.958 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC001559870348 991291963 /nfs/dbraw/zinc/29/19/63/991291963.db2.gz UWLZTMQCEKFARZ-VIFPVBQESA-N 1 2 244.339 1.185 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC001559870348 991291976 /nfs/dbraw/zinc/29/19/76/991291976.db2.gz UWLZTMQCEKFARZ-VIFPVBQESA-N 1 2 244.339 1.185 20 0 BDADLO CCC[N@H+](C)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139631842 991299895 /nfs/dbraw/zinc/29/98/95/991299895.db2.gz HCCPKGOCAHANJW-UHFFFAOYSA-N 1 2 242.344 1.327 20 0 BDADLO CCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139631842 991299906 /nfs/dbraw/zinc/29/99/06/991299906.db2.gz HCCPKGOCAHANJW-UHFFFAOYSA-N 1 2 242.344 1.327 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)[C@H](CC)CO ZINC001559872971 991304346 /nfs/dbraw/zinc/30/43/46/991304346.db2.gz HWLJHQNGJYNKOY-LLVKDONJSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)[C@H](CC)CO ZINC001559872971 991304357 /nfs/dbraw/zinc/30/43/57/991304357.db2.gz HWLJHQNGJYNKOY-LLVKDONJSA-N 1 2 240.351 1.199 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC001203198139 991308626 /nfs/dbraw/zinc/30/86/26/991308626.db2.gz HOESDXFZMJZNOO-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2cnn[nH]2)CC1 ZINC001203198139 991308641 /nfs/dbraw/zinc/30/86/41/991308641.db2.gz HOESDXFZMJZNOO-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC001203198139 991308653 /nfs/dbraw/zinc/30/86/53/991308653.db2.gz HOESDXFZMJZNOO-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC001203198139 991308662 /nfs/dbraw/zinc/30/86/62/991308662.db2.gz HOESDXFZMJZNOO-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC001203198139 991308680 /nfs/dbraw/zinc/30/86/80/991308680.db2.gz HOESDXFZMJZNOO-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC001203198139 991308694 /nfs/dbraw/zinc/30/86/94/991308694.db2.gz HOESDXFZMJZNOO-JTQLQIEISA-N 1 2 212.272 1.519 20 0 BDADLO COC(=O)CC[C@H](C)[N@@H+]1Cc2cccnc2C1 ZINC001258366384 991314377 /nfs/dbraw/zinc/31/43/77/991314377.db2.gz OUSWMUUWHKDCJG-JTQLQIEISA-N 1 2 234.299 1.739 20 0 BDADLO COC(=O)CC[C@H](C)[N@H+]1Cc2cccnc2C1 ZINC001258366384 991314381 /nfs/dbraw/zinc/31/43/81/991314381.db2.gz OUSWMUUWHKDCJG-JTQLQIEISA-N 1 2 234.299 1.739 20 0 BDADLO C1=CC[NH+](Cc2cn3ccncc3n2)C1 ZINC001139694287 991327659 /nfs/dbraw/zinc/32/76/59/991327659.db2.gz IYJCKXVHDBAIFE-UHFFFAOYSA-N 1 2 200.245 1.101 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2cn3ccncc3n2)C1 ZINC001139700159 991328582 /nfs/dbraw/zinc/32/85/82/991328582.db2.gz VDTKFICODBYZMZ-SNVBAGLBSA-N 1 2 246.314 1.196 20 0 BDADLO CC[N@@H+]1CCN(CC2(CC)COC2)C(C)(C)C1 ZINC001202963857 991339485 /nfs/dbraw/zinc/33/94/85/991339485.db2.gz BZGNYXCMUYMJKI-UHFFFAOYSA-N 1 2 240.391 1.829 20 0 BDADLO CC[N@H+]1CCN(CC2(CC)COC2)C(C)(C)C1 ZINC001202963857 991339498 /nfs/dbraw/zinc/33/94/98/991339498.db2.gz BZGNYXCMUYMJKI-UHFFFAOYSA-N 1 2 240.391 1.829 20 0 BDADLO c1cc2n(n1)CC[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC001560025742 991361912 /nfs/dbraw/zinc/36/19/12/991361912.db2.gz IBMCRHPDWCQSQU-CYBMUJFWSA-N 1 2 247.342 1.800 20 0 BDADLO c1cc2n(n1)CC[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC001560025742 991361918 /nfs/dbraw/zinc/36/19/18/991361918.db2.gz IBMCRHPDWCQSQU-CYBMUJFWSA-N 1 2 247.342 1.800 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001328703692 991395076 /nfs/dbraw/zinc/39/50/76/991395076.db2.gz PULNKGQQUHPPKU-UDSFMNFJSA-N 1 2 245.326 1.528 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H](C)CC2CC2)CC1 ZINC001258448423 991395852 /nfs/dbraw/zinc/39/58/52/991395852.db2.gz LBTKZNUIBWCCKF-VIFPVBQESA-N 1 2 211.305 1.860 20 0 BDADLO C[C@@H](CC1CC1)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001258451139 991401110 /nfs/dbraw/zinc/40/11/10/991401110.db2.gz HLOWGFGSQRDVBJ-ONGXEEELSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccnn2)CCCC1=O ZINC001139970576 991439393 /nfs/dbraw/zinc/43/93/93/991439393.db2.gz XPUZBNCRFLTTNC-JTQLQIEISA-N 1 2 219.288 1.278 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccnn2)CCCC1=O ZINC001139970576 991439402 /nfs/dbraw/zinc/43/94/02/991439402.db2.gz XPUZBNCRFLTTNC-JTQLQIEISA-N 1 2 219.288 1.278 20 0 BDADLO Cc1nnc2n1CC[N@@H+](CCC(F)(F)F)[C@H]2C ZINC001560242894 991441627 /nfs/dbraw/zinc/44/16/27/991441627.db2.gz NCWIOJQKEZSQJV-ZETCQYMHSA-N 1 2 248.252 1.916 20 0 BDADLO Cc1nnc2n1CC[N@H+](CCC(F)(F)F)[C@H]2C ZINC001560242894 991441635 /nfs/dbraw/zinc/44/16/35/991441635.db2.gz NCWIOJQKEZSQJV-ZETCQYMHSA-N 1 2 248.252 1.916 20 0 BDADLO CC(C)(F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCF ZINC001317164425 991457712 /nfs/dbraw/zinc/45/77/12/991457712.db2.gz DISGKFDFOCXGES-JTQLQIEISA-N 1 2 248.317 1.675 20 0 BDADLO CC(C)(F)C(=O)NC[C@@H]1CCCC[N@H+]1CCF ZINC001317164425 991457718 /nfs/dbraw/zinc/45/77/18/991457718.db2.gz DISGKFDFOCXGES-JTQLQIEISA-N 1 2 248.317 1.675 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@@H+]1CCC12COC2 ZINC001258497106 991462431 /nfs/dbraw/zinc/46/24/31/991462431.db2.gz ZSPHWCSJLGWAEE-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@H+]1CCC12COC2 ZINC001258497106 991462441 /nfs/dbraw/zinc/46/24/41/991462441.db2.gz ZSPHWCSJLGWAEE-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CC[N@H+](Cc1ccnnc1)Cc1ccccn1 ZINC001139983795 991462644 /nfs/dbraw/zinc/46/26/44/991462644.db2.gz KXKWOQBZMCXGGO-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1ccnnc1)Cc1ccccn1 ZINC001139983795 991462650 /nfs/dbraw/zinc/46/26/50/991462650.db2.gz KXKWOQBZMCXGGO-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3ccnnc3)C2)C1 ZINC001139984970 991462723 /nfs/dbraw/zinc/46/27/23/991462723.db2.gz FWFSCBDRFWUOCT-JTQLQIEISA-N 1 2 239.319 1.506 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139986639 991465819 /nfs/dbraw/zinc/46/58/19/991465819.db2.gz BFRRQUWZTZFNEM-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139986639 991465825 /nfs/dbraw/zinc/46/58/25/991465825.db2.gz BFRRQUWZTZFNEM-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO CC1(O)CC[NH+](Cc2cnc(Cl)nc2)CC1 ZINC001139988043 991470039 /nfs/dbraw/zinc/47/00/39/991470039.db2.gz MTBAWMDKCIOCME-UHFFFAOYSA-N 1 2 241.722 1.477 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H](C)O ZINC001258595882 991496325 /nfs/dbraw/zinc/49/63/25/991496325.db2.gz OFFNWRUIEPBFQJ-OUAUKWLOSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)cc1O ZINC001140197474 991558494 /nfs/dbraw/zinc/55/84/94/991558494.db2.gz PJMVOXZCMOJEHS-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(C)cc1O ZINC001140197474 991558505 /nfs/dbraw/zinc/55/85/05/991558505.db2.gz PJMVOXZCMOJEHS-NSHDSACASA-N 1 2 248.326 1.329 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2cccnc2)CCO1 ZINC001258633650 991578912 /nfs/dbraw/zinc/57/89/12/991578912.db2.gz XQWAEKCTAUAZCH-SMDDNHRTSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2cccnc2)CCO1 ZINC001258633650 991578922 /nfs/dbraw/zinc/57/89/22/991578922.db2.gz XQWAEKCTAUAZCH-SMDDNHRTSA-N 1 2 248.326 1.302 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1ccncn1)C2 ZINC001140343493 991612960 /nfs/dbraw/zinc/61/29/60/991612960.db2.gz REQATMXULNMIBB-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1ccncn1)C2 ZINC001140343493 991612964 /nfs/dbraw/zinc/61/29/64/991612964.db2.gz REQATMXULNMIBB-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO CSC[C@@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001318110557 991621017 /nfs/dbraw/zinc/62/10/17/991621017.db2.gz UERYGWKMHFQALZ-SECBINFHSA-N 1 2 248.367 1.003 20 0 BDADLO c1[nH]nc2ccc(C[N@@H+]3CCN4CC[C@@H]4C3)cc12 ZINC001140389029 991634394 /nfs/dbraw/zinc/63/43/94/991634394.db2.gz IXKMVDCKDQJYSU-CYBMUJFWSA-N 1 2 242.326 1.453 20 0 BDADLO c1[nH]nc2ccc(C[N@H+]3CCN4CC[C@@H]4C3)cc12 ZINC001140389029 991634396 /nfs/dbraw/zinc/63/43/96/991634396.db2.gz IXKMVDCKDQJYSU-CYBMUJFWSA-N 1 2 242.326 1.453 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC12CCCC2 ZINC001140469735 991646467 /nfs/dbraw/zinc/64/64/67/991646467.db2.gz XEQNJWIKXBSUCE-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC12CCCC2 ZINC001140469735 991646473 /nfs/dbraw/zinc/64/64/73/991646473.db2.gz XEQNJWIKXBSUCE-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCCC[C@H](F)C1 ZINC001140469459 991647200 /nfs/dbraw/zinc/64/72/00/991647200.db2.gz QBGYVPDKGREIPX-QMMMGPOBSA-N 1 2 241.266 1.212 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCCC[C@H](F)C1 ZINC001140469459 991647203 /nfs/dbraw/zinc/64/72/03/991647203.db2.gz QBGYVPDKGREIPX-QMMMGPOBSA-N 1 2 241.266 1.212 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC2(CCCC2)C1 ZINC001140475514 991650825 /nfs/dbraw/zinc/65/08/25/991650825.db2.gz MKDPMUGWHKUYKT-UHFFFAOYSA-N 1 2 249.314 1.654 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC2(CCCC2)C1 ZINC001140475514 991650827 /nfs/dbraw/zinc/65/08/27/991650827.db2.gz MKDPMUGWHKUYKT-UHFFFAOYSA-N 1 2 249.314 1.654 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1CC2CCC(CC2)C1 ZINC001140472806 991651762 /nfs/dbraw/zinc/65/17/62/991651762.db2.gz GFJPCUWANXHYRC-UHFFFAOYSA-N 1 2 249.314 1.510 20 0 BDADLO C[C@@H](C(=O)N(C)C1CCC1)n1cc[nH+]c1 ZINC001318763031 991712392 /nfs/dbraw/zinc/71/23/92/991712392.db2.gz CHJJQXXLTQDLPB-VIFPVBQESA-N 1 2 207.277 1.455 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258809410 991814502 /nfs/dbraw/zinc/81/45/02/991814502.db2.gz ZFTLLKXBJSPXLZ-MXWKQRLJSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@@H](C(=O)N1CCCOC[C@H]1C)n1cc[nH+]c1 ZINC001319338497 991842203 /nfs/dbraw/zinc/84/22/03/991842203.db2.gz YBMZNKPMFIXBEQ-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+]C(CC(C)C)CC(C)C ZINC001258831641 991864508 /nfs/dbraw/zinc/86/45/08/991864508.db2.gz GBONHEKPNQSRQP-GFCCVEGCSA-N 1 2 245.363 1.571 20 0 BDADLO COC(C)(C)c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001319520906 991885297 /nfs/dbraw/zinc/88/52/97/991885297.db2.gz IMPZLDFXTDCAJW-QMMMGPOBSA-N 1 2 236.275 1.757 20 0 BDADLO Cc1nnc(C[NH+]2CCC(n3cccn3)CC2)o1 ZINC001319545196 991890524 /nfs/dbraw/zinc/89/05/24/991890524.db2.gz SXBHWZBYZNJIQZ-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO O=S(=O)(Nc1cc[nH+]cc1)C1CCCC1 ZINC001259792669 991976266 /nfs/dbraw/zinc/97/62/66/991976266.db2.gz KSLQUOXVAAWGSL-UHFFFAOYSA-N 1 2 226.301 1.188 20 0 BDADLO CCC[C@H](C)CC(=O)NCC1C[NH+](CCF)C1 ZINC001567825136 992102321 /nfs/dbraw/zinc/10/23/21/992102321.db2.gz VEPDHPSUMWDWGL-NSHDSACASA-N 1 2 244.354 1.830 20 0 BDADLO C/C(=C\C(=O)NCC1C[NH+](CCF)C1)C1CC1 ZINC001567824956 992102429 /nfs/dbraw/zinc/10/24/29/992102429.db2.gz ILEKWCDDJCUVOL-UXBLZVDNSA-N 1 2 240.322 1.360 20 0 BDADLO CC1=CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001320206810 992132860 /nfs/dbraw/zinc/13/28/60/992132860.db2.gz OZATXPXZDSJIFZ-NSHDSACASA-N 1 2 219.288 1.623 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)c(=O)[nH]1 ZINC001320250402 992145978 /nfs/dbraw/zinc/14/59/78/992145978.db2.gz PFMMSFJPWDOJLJ-VIFPVBQESA-N 1 2 246.270 1.492 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)CC(F)(F)F)n1cc[nH+]c1 ZINC001320289954 992154988 /nfs/dbraw/zinc/15/49/88/992154988.db2.gz RQFNXWGKXXYJJJ-JGVFFNPUSA-N 1 2 249.236 1.901 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001261361198 992270596 /nfs/dbraw/zinc/27/05/96/992270596.db2.gz KZQCDIVZUZEAJU-UDSFMNFJSA-N 1 2 245.326 1.528 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(C)[nH]n2)CC[C@H]1C ZINC001320629899 992279104 /nfs/dbraw/zinc/27/91/04/992279104.db2.gz KFTMLQQAMJQKTP-SKDRFNHKSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(C)[nH]n2)CC[C@H]1C ZINC001320629899 992279122 /nfs/dbraw/zinc/27/91/22/992279122.db2.gz KFTMLQQAMJQKTP-SKDRFNHKSA-N 1 2 223.320 1.575 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCC1)n1cc[nH+]c1 ZINC001261438668 992310028 /nfs/dbraw/zinc/31/00/28/992310028.db2.gz MQFXAPZOKYVIBN-ZMLRMANQSA-N 1 2 233.315 1.749 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001569350999 992363157 /nfs/dbraw/zinc/36/31/57/992363157.db2.gz ULUZVCGPRWNPJE-VXGBXAGGSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001569350999 992363170 /nfs/dbraw/zinc/36/31/70/992363170.db2.gz ULUZVCGPRWNPJE-VXGBXAGGSA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001569347057 992367487 /nfs/dbraw/zinc/36/74/87/992367487.db2.gz SXQFXPDUFLOQQI-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001569347057 992367494 /nfs/dbraw/zinc/36/74/94/992367494.db2.gz SXQFXPDUFLOQQI-JTQLQIEISA-N 1 2 230.327 1.583 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C(F)F)C1 ZINC001261548355 992376533 /nfs/dbraw/zinc/37/65/33/992376533.db2.gz NAIQSGGLIUBJCW-SSDOTTSWSA-N 1 2 243.257 1.312 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C(F)F)C1 ZINC001261548355 992376544 /nfs/dbraw/zinc/37/65/44/992376544.db2.gz NAIQSGGLIUBJCW-SSDOTTSWSA-N 1 2 243.257 1.312 20 0 BDADLO C[C@@H]1OCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001261569983 992390478 /nfs/dbraw/zinc/39/04/78/992390478.db2.gz ACYWCHAWQDEBTF-YUMQZZPRSA-N 1 2 211.265 1.024 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccnc(OC)c1 ZINC001570010422 992434809 /nfs/dbraw/zinc/43/48/09/992434809.db2.gz MCYGGWVLGJRMAU-SNVBAGLBSA-N 1 2 235.287 1.123 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccnc(OC)c1 ZINC001570010422 992434811 /nfs/dbraw/zinc/43/48/11/992434811.db2.gz MCYGGWVLGJRMAU-SNVBAGLBSA-N 1 2 235.287 1.123 20 0 BDADLO CC[C@H](C)N(OC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001261667166 992457392 /nfs/dbraw/zinc/45/73/92/992457392.db2.gz NCMHHQGDOIIWGV-UWVGGRQHSA-N 1 2 225.292 1.633 20 0 BDADLO CCn1ccnc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001570260029 992458415 /nfs/dbraw/zinc/45/84/15/992458415.db2.gz MTWHXNAKWMMGPC-SECBINFHSA-N 1 2 233.275 1.299 20 0 BDADLO Cc1coc(COC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC001574179256 992818270 /nfs/dbraw/zinc/81/82/70/992818270.db2.gz GMIUTUDKLORSTR-LLVKDONJSA-N 1 2 223.272 1.773 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]1C(C)(C)C ZINC001262666739 993011716 /nfs/dbraw/zinc/01/17/16/993011716.db2.gz AMZMVGIAFNPOGF-LBPRGKRZSA-N 1 2 249.358 2.000 20 0 BDADLO CCC1(CC(=O)Nc2c(C)c[nH+]cc2C)COC1 ZINC001262805174 993069333 /nfs/dbraw/zinc/06/93/33/993069333.db2.gz HJHTZCXBYJXERV-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC001262805038 993069800 /nfs/dbraw/zinc/06/98/00/993069800.db2.gz BZNHKYKHDWUQRN-YDEJPDAXSA-N 1 2 248.326 1.872 20 0 BDADLO C[C@H]([NH2+]Cc1cccn1C(F)F)c1cnn[nH]1 ZINC001575698137 993097814 /nfs/dbraw/zinc/09/78/14/993097814.db2.gz VIOOAHDMJUWWBB-ZETCQYMHSA-N 1 2 241.245 1.852 20 0 BDADLO CC(C)c1nc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)n[nH]1 ZINC001575895285 993117691 /nfs/dbraw/zinc/11/76/91/993117691.db2.gz RHSJTNGXLKSICP-PELKAZGASA-N 1 2 249.318 1.009 20 0 BDADLO CC[C@@](C)([NH2+][C@@H]1CCO[C@H](C)C1)c1cn[nH]n1 ZINC001576195759 993209793 /nfs/dbraw/zinc/20/97/93/993209793.db2.gz FQJBHZSEGZRJBT-CKYFFXLPSA-N 1 2 238.335 1.587 20 0 BDADLO CC[C@@](C)([NH2+][C@@H]1CCO[C@H](C)C1)c1c[nH]nn1 ZINC001576195759 993209800 /nfs/dbraw/zinc/20/98/00/993209800.db2.gz FQJBHZSEGZRJBT-CKYFFXLPSA-N 1 2 238.335 1.587 20 0 BDADLO CC[C@@H](C)OC(=O)NCCCn1cc[nH+]c1 ZINC000586473810 993373202 /nfs/dbraw/zinc/37/32/02/993373202.db2.gz DSRXWNVOGPYPIN-SNVBAGLBSA-N 1 2 225.292 1.798 20 0 BDADLO CC(C)(COC(=O)CCCF)n1cc[nH+]c1 ZINC001263543303 993377181 /nfs/dbraw/zinc/37/71/81/993377181.db2.gz YPVBFIPULKQZKB-UHFFFAOYSA-N 1 2 228.267 1.911 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2ccoc2)n1C ZINC000381269891 993381662 /nfs/dbraw/zinc/38/16/62/993381662.db2.gz VHSNOXVQLYAOTQ-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@H]1CC=CCC1 ZINC001263734901 993484712 /nfs/dbraw/zinc/48/47/12/993484712.db2.gz CBAFICIOIHZUQC-NSHDSACASA-N 1 2 233.315 1.578 20 0 BDADLO CCNc1cc(CNC(=O)N(C)CC)cc[nH+]1 ZINC001263752285 993490604 /nfs/dbraw/zinc/49/06/04/993490604.db2.gz BSTTUDNAWWTFKK-UHFFFAOYSA-N 1 2 236.319 1.675 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CCC1 ZINC001263794322 993522252 /nfs/dbraw/zinc/52/22/52/993522252.db2.gz SCBZZOVMTQADLP-UHFFFAOYSA-N 1 2 207.277 1.021 20 0 BDADLO C/C=C/C=C\C(=O)NCCc1[nH+]ccn1C ZINC001263972557 993634846 /nfs/dbraw/zinc/63/48/46/993634846.db2.gz MFRJQUVHOJOLMJ-ICWBMWKASA-N 1 2 219.288 1.211 20 0 BDADLO CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001264360565 993713265 /nfs/dbraw/zinc/71/32/65/993713265.db2.gz REACZLRONKBPOZ-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001264360565 993713275 /nfs/dbraw/zinc/71/32/75/993713275.db2.gz REACZLRONKBPOZ-NSHDSACASA-N 1 2 230.327 1.679 20 0 BDADLO c1cn2c(n1)[C@H]([NH2+]Cc1ccccn1)CC2 ZINC000393269967 993925940 /nfs/dbraw/zinc/92/59/40/993925940.db2.gz QPNMAGSPIACIKQ-LLVKDONJSA-N 1 2 214.272 1.513 20 0 BDADLO CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)CC ZINC001280396675 994106838 /nfs/dbraw/zinc/10/68/38/994106838.db2.gz JJZYCHLXNISDCL-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)CC ZINC001280396675 994106862 /nfs/dbraw/zinc/10/68/62/994106862.db2.gz JJZYCHLXNISDCL-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001280396386 994109804 /nfs/dbraw/zinc/10/98/04/994109804.db2.gz CROVAQHORTXVOP-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(CC)C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001280396386 994109821 /nfs/dbraw/zinc/10/98/21/994109821.db2.gz CROVAQHORTXVOP-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)CC ZINC001280396674 994110007 /nfs/dbraw/zinc/11/00/07/994110007.db2.gz JJZYCHLXNISDCL-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)CC ZINC001280396674 994110027 /nfs/dbraw/zinc/11/00/27/994110027.db2.gz JJZYCHLXNISDCL-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(C(=O)[O-])co1 ZINC001593207347 994216454 /nfs/dbraw/zinc/21/64/54/994216454.db2.gz CJACAVIGESZEJX-XVKPBYJWSA-N 1 2 238.287 1.366 20 0 BDADLO C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001334856962 994652339 /nfs/dbraw/zinc/65/23/39/994652339.db2.gz DASWXTFBPFJEAU-MXWKQRLJSA-N 1 2 249.314 1.117 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](F)C1)n1cc[nH+]c1 ZINC001298249527 994915903 /nfs/dbraw/zinc/91/59/03/994915903.db2.gz CELPELHUPWHKKB-RKDXNWHRSA-N 1 2 211.240 1.015 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)CC(C)(C)C1 ZINC001336578154 995057643 /nfs/dbraw/zinc/05/76/43/995057643.db2.gz WTVDWZUIWVEFJB-VIFPVBQESA-N 1 2 220.320 1.931 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccc(O)c1 ZINC001301532290 995090677 /nfs/dbraw/zinc/09/06/77/995090677.db2.gz MSUIBJKSZPSMGD-NSHDSACASA-N 1 2 243.266 1.464 20 0 BDADLO C/C=C/[C@H](O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304107741 995190719 /nfs/dbraw/zinc/19/07/19/995190719.db2.gz KUIWAPAKIUHHAJ-YEZKRMTDSA-N 1 2 237.303 1.086 20 0 BDADLO C/C=C/[C@H](O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304107741 995190722 /nfs/dbraw/zinc/19/07/22/995190722.db2.gz KUIWAPAKIUHHAJ-YEZKRMTDSA-N 1 2 237.303 1.086 20 0 BDADLO Cc1cccnc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC001308154891 995575174 /nfs/dbraw/zinc/57/51/74/995575174.db2.gz VEOPYOOHSNTKGA-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO c1nnsc1C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001308167254 995579436 /nfs/dbraw/zinc/57/94/36/995579436.db2.gz PPLLBVMSHPEWCG-NSHDSACASA-N 1 2 239.344 1.683 20 0 BDADLO c1nnsc1C[N@H+]1CCCC[C@@]12CCOC2 ZINC001308167254 995579443 /nfs/dbraw/zinc/57/94/43/995579443.db2.gz PPLLBVMSHPEWCG-NSHDSACASA-N 1 2 239.344 1.683 20 0 BDADLO CC1(C)C[N@H+](Cc2ccccc2C(=O)[O-])C[C@H]1[NH3+] ZINC001593942657 996970649 /nfs/dbraw/zinc/97/06/49/996970649.db2.gz OSVACCBXAKSKQU-GFCCVEGCSA-N 1 2 248.326 1.554 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccccc2C(=O)[O-])C[C@H]1[NH3+] ZINC001593942657 996970653 /nfs/dbraw/zinc/97/06/53/996970653.db2.gz OSVACCBXAKSKQU-GFCCVEGCSA-N 1 2 248.326 1.554 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)no1 ZINC000407949793 136207918 /nfs/dbraw/zinc/20/79/18/136207918.db2.gz OMKIYTOSEYYSLV-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)no1 ZINC000407949793 136207919 /nfs/dbraw/zinc/20/79/19/136207919.db2.gz OMKIYTOSEYYSLV-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CC(C)(C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000564336061 398135576 /nfs/dbraw/zinc/13/55/76/398135576.db2.gz SRVDRWQKKPBEBC-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncccn2)cn1 ZINC000062070616 349437207 /nfs/dbraw/zinc/43/72/07/349437207.db2.gz JWUIIUONWPGIKR-UHFFFAOYSA-N 1 2 230.271 1.170 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)NCc1c[nH+]cn1C ZINC000334589028 398138379 /nfs/dbraw/zinc/13/83/79/398138379.db2.gz BCKKEABKQYNYKE-IUCAKERBSA-N 1 2 222.292 1.112 20 0 BDADLO CSC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602102997 349442380 /nfs/dbraw/zinc/44/23/80/349442380.db2.gz NTYFTHGCALGAOM-DJLDLDEBSA-N 1 2 239.344 1.381 20 0 BDADLO CSC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602102997 349442382 /nfs/dbraw/zinc/44/23/82/349442382.db2.gz NTYFTHGCALGAOM-DJLDLDEBSA-N 1 2 239.344 1.381 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000297502907 398145261 /nfs/dbraw/zinc/14/52/61/398145261.db2.gz VDDQJMAGJCHOPG-UHFFFAOYSA-N 1 2 248.326 1.329 20 0 BDADLO CN(CC1CCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161577545 349475345 /nfs/dbraw/zinc/47/53/45/349475345.db2.gz BNFAQRLRWFJOCB-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161620942 349476866 /nfs/dbraw/zinc/47/68/66/349476866.db2.gz UKSKQZVZHNZSKG-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccsc2C)C1 ZINC000297358186 398144208 /nfs/dbraw/zinc/14/42/08/398144208.db2.gz GNZYKTRFALVZPA-UHFFFAOYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)on1 ZINC000268317936 177987280 /nfs/dbraw/zinc/98/72/80/177987280.db2.gz ZRYPAGZCIFCGQA-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)on1 ZINC000268317936 177987281 /nfs/dbraw/zinc/98/72/81/177987281.db2.gz ZRYPAGZCIFCGQA-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H](C)CCO)cs1 ZINC000649867446 398150142 /nfs/dbraw/zinc/15/01/42/398150142.db2.gz JNUBLKJSVYICKU-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H](C)CCO)cs1 ZINC000649867446 398150147 /nfs/dbraw/zinc/15/01/47/398150147.db2.gz JNUBLKJSVYICKU-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO Cc1cccc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000299679772 398151269 /nfs/dbraw/zinc/15/12/69/398151269.db2.gz SPPPWMXDUMTRDA-UHFFFAOYSA-N 1 2 243.310 1.898 20 0 BDADLO C[C@H]1C[NH+](CC2(F)CC2)C[C@H](C)S1=O ZINC000526988137 262801771 /nfs/dbraw/zinc/80/17/71/262801771.db2.gz ORZTVTKQMNXQOB-IUCAKERBSA-N 1 2 219.325 1.330 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)no1 ZINC000372735329 178005181 /nfs/dbraw/zinc/00/51/81/178005181.db2.gz FBCAJYOMLJNRON-MVWJERBFSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)no1 ZINC000372735329 178005184 /nfs/dbraw/zinc/00/51/84/178005184.db2.gz FBCAJYOMLJNRON-MVWJERBFSA-N 1 2 249.314 1.069 20 0 BDADLO CC(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000340665519 398157221 /nfs/dbraw/zinc/15/72/21/398157221.db2.gz FTRIERHYXMWAMP-UHFFFAOYSA-N 1 2 249.236 1.718 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000649897656 398169670 /nfs/dbraw/zinc/16/96/70/398169670.db2.gz CIMOUTSKFFKMKA-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000649897656 398169672 /nfs/dbraw/zinc/16/96/72/398169672.db2.gz CIMOUTSKFFKMKA-GFCCVEGCSA-N 1 2 249.358 1.737 20 0 BDADLO CC[N@H+](CCO)Cc1cnn(-c2ccccc2)n1 ZINC000071969736 398171206 /nfs/dbraw/zinc/17/12/06/398171206.db2.gz MAIZSBDPJXPCQD-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CC[N@@H+](CCO)Cc1cnn(-c2ccccc2)n1 ZINC000071969736 398171212 /nfs/dbraw/zinc/17/12/12/398171212.db2.gz MAIZSBDPJXPCQD-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045839011 398183166 /nfs/dbraw/zinc/18/31/66/398183166.db2.gz QLWUPZYVMZOEEM-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045839011 398183169 /nfs/dbraw/zinc/18/31/69/398183169.db2.gz QLWUPZYVMZOEEM-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000649902718 398176273 /nfs/dbraw/zinc/17/62/73/398176273.db2.gz FABHQIBJGRPZBZ-SECBINFHSA-N 1 2 229.230 1.609 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000649902718 398176279 /nfs/dbraw/zinc/17/62/79/398176279.db2.gz FABHQIBJGRPZBZ-SECBINFHSA-N 1 2 229.230 1.609 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649908668 398183742 /nfs/dbraw/zinc/18/37/42/398183742.db2.gz UHXMMIZCKGLLER-GMSGAONNSA-N 1 2 242.273 1.905 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649908668 398183743 /nfs/dbraw/zinc/18/37/43/398183743.db2.gz UHXMMIZCKGLLER-GMSGAONNSA-N 1 2 242.273 1.905 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccc(F)cc1 ZINC000080589358 398182034 /nfs/dbraw/zinc/18/20/34/398182034.db2.gz SMWNFRLGQWGLIP-UHFFFAOYSA-N 1 2 234.234 1.871 20 0 BDADLO CCn1ccc(CC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000649882862 398164187 /nfs/dbraw/zinc/16/41/87/398164187.db2.gz FCWFQRTVCRNCJC-UHFFFAOYSA-N 1 2 244.298 1.210 20 0 BDADLO c1[nH+]c(SCc2nn[nH]n2)n2ccccc12 ZINC000353215920 398165868 /nfs/dbraw/zinc/16/58/68/398165868.db2.gz JEHNHSDNGBBRQH-UHFFFAOYSA-N 1 2 232.272 1.140 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cnccn1 ZINC000342438171 398190494 /nfs/dbraw/zinc/19/04/94/398190494.db2.gz UMIYMIFLPXYKHG-VIFPVBQESA-N 1 2 232.262 1.862 20 0 BDADLO Cc1cc(N(C)[C@@H](C)CO)nc(C2CC2)[nH+]1 ZINC000282895667 178101163 /nfs/dbraw/zinc/10/11/63/178101163.db2.gz SXDFEWUANKTJAC-VIFPVBQESA-N 1 2 221.304 1.479 20 0 BDADLO Cc1cc(N(CCO)C2CCC2)nc[nH+]1 ZINC000221033595 178102636 /nfs/dbraw/zinc/10/26/36/178102636.db2.gz DLDPFPMRGUHWHR-UHFFFAOYSA-N 1 2 207.277 1.136 20 0 BDADLO Cc1ccc(CN(CCO)c2cc(C)[nH+]cn2)o1 ZINC000360242622 178102644 /nfs/dbraw/zinc/10/26/44/178102644.db2.gz QBSBNPIAYORVIS-UHFFFAOYSA-N 1 2 247.298 1.685 20 0 BDADLO Cc1cc(N)nc(SC[C@](C)(O)C(C)C)[nH+]1 ZINC000165666299 178108873 /nfs/dbraw/zinc/10/88/73/178108873.db2.gz NITHYAGGJNRXMS-NSHDSACASA-N 1 2 241.360 1.866 20 0 BDADLO Cc1cc(N)nc(SCC(=O)C(C)C)[nH+]1 ZINC000170964711 178109435 /nfs/dbraw/zinc/10/94/35/178109435.db2.gz GXAGRCAFYMHEMU-UHFFFAOYSA-N 1 2 225.317 1.684 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908819 398185148 /nfs/dbraw/zinc/18/51/48/398185148.db2.gz XKQZABVDDMKLCE-SNVBAGLBSA-N 1 2 242.273 1.529 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908819 398185151 /nfs/dbraw/zinc/18/51/51/398185151.db2.gz XKQZABVDDMKLCE-SNVBAGLBSA-N 1 2 242.273 1.529 20 0 BDADLO Cc1cc(N2CCC[C@H]2C[C@@H](C)O)nc[nH+]1 ZINC000133146675 178116148 /nfs/dbraw/zinc/11/61/48/178116148.db2.gz NSJLOGKHXBHEOZ-MNOVXSKESA-N 1 2 221.304 1.525 20 0 BDADLO Cc1cc(N2C[C@]3(CCCO3)[C@H]2C2CC2)nc[nH+]1 ZINC000338830729 178122546 /nfs/dbraw/zinc/12/25/46/178122546.db2.gz PRUFFKCHLWRZHJ-ZIAGYGMSSA-N 1 2 245.326 1.933 20 0 BDADLO CCc1cc(N(C)[C@@H]2CCN(C)C2=O)nc(C)[nH+]1 ZINC000272932922 538926745 /nfs/dbraw/zinc/92/67/45/538926745.db2.gz VQIJPBIDEWZCPA-LLVKDONJSA-N 1 2 248.330 1.014 20 0 BDADLO Cc1cc(NC(=O)C[C@](C)(O)C2CC2)cc[nH+]1 ZINC000270014245 178134149 /nfs/dbraw/zinc/13/41/49/178134149.db2.gz BQIXVLCQVDEYHU-ZDUSSCGKSA-N 1 2 234.299 1.880 20 0 BDADLO c1cn(-c2cc(N3CC[C@@H]3C3CC3)ncn2)c[nH+]1 ZINC000649407197 398208035 /nfs/dbraw/zinc/20/80/35/398208035.db2.gz ONBNUZFEBKLHLT-LLVKDONJSA-N 1 2 241.298 1.651 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000183959770 178137469 /nfs/dbraw/zinc/13/74/69/178137469.db2.gz VHJJXZSCVUETEW-MNOVXSKESA-N 1 2 249.314 1.625 20 0 BDADLO C[C@H](C[N@@H+]1CC[C@@H](C)[C@H](F)C1)S(C)(=O)=O ZINC000649416339 398216051 /nfs/dbraw/zinc/21/60/51/398216051.db2.gz NBBNSHISNLCSFD-OPRDCNLKSA-N 1 2 237.340 1.099 20 0 BDADLO C[C@H](C[N@H+]1CC[C@@H](C)[C@H](F)C1)S(C)(=O)=O ZINC000649416339 398216053 /nfs/dbraw/zinc/21/60/53/398216053.db2.gz NBBNSHISNLCSFD-OPRDCNLKSA-N 1 2 237.340 1.099 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)on1 ZINC000293403662 178146433 /nfs/dbraw/zinc/14/64/33/178146433.db2.gz LTHNQHBOQCOFDQ-SFGNSQDASA-N 1 2 237.303 1.650 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2C)on1 ZINC000293403662 178146435 /nfs/dbraw/zinc/14/64/35/178146435.db2.gz LTHNQHBOQCOFDQ-SFGNSQDASA-N 1 2 237.303 1.650 20 0 BDADLO COC1(c2ccccc2)C[NH+](C[C@@H](C)O)C1 ZINC000414129618 398218046 /nfs/dbraw/zinc/21/80/46/398218046.db2.gz VNHFOFRMLSKTHR-LLVKDONJSA-N 1 2 221.300 1.225 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnc(C#N)c2)[C@H]1C ZINC000380376628 343984667 /nfs/dbraw/zinc/98/46/67/343984667.db2.gz DHVNYFLZGXDKHL-WDEREUQCSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnc(C#N)c2)[C@H]1C ZINC000380376628 343984668 /nfs/dbraw/zinc/98/46/68/343984668.db2.gz DHVNYFLZGXDKHL-WDEREUQCSA-N 1 2 231.299 1.562 20 0 BDADLO Cc1cc(NCC2(CCO)CCC2)nc[nH+]1 ZINC000132699905 178155991 /nfs/dbraw/zinc/15/59/91/178155991.db2.gz TVKXNSYGLIKNPN-UHFFFAOYSA-N 1 2 221.304 1.750 20 0 BDADLO Cc1cc(NC[C@@H](O)C2CC2)nc(C2CC2)[nH+]1 ZINC000265365524 178164508 /nfs/dbraw/zinc/16/45/08/178164508.db2.gz NDUDMMRATBPEBB-LLVKDONJSA-N 1 2 233.315 1.845 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(F)(F)F ZINC000426760501 398220355 /nfs/dbraw/zinc/22/03/55/398220355.db2.gz RROUUALFCUWRGT-SECBINFHSA-N 1 2 239.237 1.966 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1CCC(F)(F)F ZINC000426760501 398220356 /nfs/dbraw/zinc/22/03/56/398220356.db2.gz RROUUALFCUWRGT-SECBINFHSA-N 1 2 239.237 1.966 20 0 BDADLO Cc1cc(NC[C@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000235826695 178170570 /nfs/dbraw/zinc/17/05/70/178170570.db2.gz ZYTPWLUSFGEIAW-UWVGGRQHSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1n[nH]cc1CNc1cc(C)[nH+]cn1 ZINC000040727334 178171610 /nfs/dbraw/zinc/17/16/10/178171610.db2.gz PNKNKRXUGCMDOS-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)[nH]1 ZINC000428217653 398222697 /nfs/dbraw/zinc/22/26/97/398222697.db2.gz HKUFDLFIAOYRRR-CYBMUJFWSA-N 1 2 242.326 1.930 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H]2Cc2ccccc2)[nH]1 ZINC000428217653 398222700 /nfs/dbraw/zinc/22/27/00/398222700.db2.gz HKUFDLFIAOYRRR-CYBMUJFWSA-N 1 2 242.326 1.930 20 0 BDADLO Cc1cc(N[C@@H](CO)C2CCCC2)nc[nH+]1 ZINC000309611095 178180828 /nfs/dbraw/zinc/18/08/28/178180828.db2.gz ABRNMXVDFFYRCQ-NSHDSACASA-N 1 2 221.304 1.748 20 0 BDADLO Cc1cc(N[C@@H]2CSC[C@H]2C)nc[nH+]1 ZINC000307484242 178181950 /nfs/dbraw/zinc/18/19/50/178181950.db2.gz ANTSUZPIQVTWDA-VXNVDRBHSA-N 1 2 209.318 1.948 20 0 BDADLO Cc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)nc[nH+]1 ZINC000301254001 178184751 /nfs/dbraw/zinc/18/47/51/178184751.db2.gz SPMGMYVLWIUQLS-GXTWGEPZSA-N 1 2 241.294 1.855 20 0 BDADLO Cc1cc(N[C@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000127231042 178185439 /nfs/dbraw/zinc/18/54/39/178185439.db2.gz NBAXWXQTJMRHTQ-NXEZZACHSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1cc(N[C@H](C)CO[C@@H]2CCOC2)nc[nH+]1 ZINC000133812515 178185517 /nfs/dbraw/zinc/18/55/17/178185517.db2.gz OOWZXDDLRCNOJN-GHMZBOCLSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1cc(N[C@H](C)CO)nc(-c2cccnc2)[nH+]1 ZINC000110098371 178185775 /nfs/dbraw/zinc/18/57/75/178185775.db2.gz CYBJROYRZBTROL-SNVBAGLBSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1cc(N[C@H](CO)c2ccsc2)nc[nH+]1 ZINC000302287163 178186829 /nfs/dbraw/zinc/18/68/29/178186829.db2.gz VWNOCDLNLLHMOR-SNVBAGLBSA-N 1 2 235.312 1.992 20 0 BDADLO Cc1cc(N[C@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000301388100 178186885 /nfs/dbraw/zinc/18/68/85/178186885.db2.gz DQZDIXZWUUKMDI-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc(C)[nH+]cn2)[nH]1 ZINC000336781222 178187559 /nfs/dbraw/zinc/18/75/59/178187559.db2.gz UCPZBSPFOXNWTR-SSDOTTSWSA-N 1 2 218.264 1.385 20 0 BDADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000342432679 136223067 /nfs/dbraw/zinc/22/30/67/136223067.db2.gz SXTIUXKGPLTEJF-ZANVPECISA-N 1 2 244.298 1.427 20 0 BDADLO Cc1cc(N[C@H]2CCc3n[nH]cc3C2)nc[nH+]1 ZINC000301301213 178190272 /nfs/dbraw/zinc/19/02/72/178190272.db2.gz VDVFMONDZOVWQD-JTQLQIEISA-N 1 2 229.287 1.478 20 0 BDADLO CCc1nc([C@@H](C)Nc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000275794358 538931771 /nfs/dbraw/zinc/93/17/71/538931771.db2.gz JIPFGEYEYOWPKM-MRVPVSSYSA-N 1 2 246.318 1.947 20 0 BDADLO C[C@H]1CC=CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000342432033 136222960 /nfs/dbraw/zinc/22/29/60/136222960.db2.gz SAHVQDOCDJFPKN-QWHCGFSZSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCCCC3)[C@H]1C ZINC000334233913 136224531 /nfs/dbraw/zinc/22/45/31/136224531.db2.gz YPORDLSTRBBYOZ-MNOVXSKESA-N 1 2 234.347 1.845 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCCCC3)[C@H]1C ZINC000334233913 136224532 /nfs/dbraw/zinc/22/45/32/136224532.db2.gz YPORDLSTRBBYOZ-MNOVXSKESA-N 1 2 234.347 1.845 20 0 BDADLO CCC(CC)CNC(=O)NCc1[nH+]ccn1C ZINC000264267725 168356189 /nfs/dbraw/zinc/35/61/89/168356189.db2.gz GNZOUCVEKVOJGT-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)no1 ZINC000285462751 178232471 /nfs/dbraw/zinc/23/24/71/178232471.db2.gz ZZAFUGYDLORLPX-RKDXNWHRSA-N 1 2 243.282 1.108 20 0 BDADLO C[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2)CC[NH+]1C ZINC000162017378 349524672 /nfs/dbraw/zinc/52/46/72/349524672.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 1 2 236.363 1.298 20 0 BDADLO Cc1cc([C@H](C)NCc2c[nH+]cn2C)no1 ZINC000309824834 178251416 /nfs/dbraw/zinc/25/14/16/178251416.db2.gz XDEYCIZJJUZPLK-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccon2)cn1 ZINC000166807308 538939645 /nfs/dbraw/zinc/93/96/45/538939645.db2.gz LDRPVMWJPDGVPE-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(F)cc1 ZINC000076418934 398239624 /nfs/dbraw/zinc/23/96/24/398239624.db2.gz DWBXMXCNKROZPX-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)cc1 ZINC000076418934 398239627 /nfs/dbraw/zinc/23/96/27/398239627.db2.gz DWBXMXCNKROZPX-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO COc1ccc[nH+]c1N(C)CC1(C)COC1 ZINC000624528895 343992299 /nfs/dbraw/zinc/99/22/99/343992299.db2.gz UGFRCOHTRKVBGM-UHFFFAOYSA-N 1 2 222.288 1.563 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ncc[nH]1 ZINC000285490136 538941415 /nfs/dbraw/zinc/94/14/15/538941415.db2.gz AGKJKSLDRSWNPU-SCZZXKLOSA-N 1 2 231.303 1.861 20 0 BDADLO c1nn[nH]c1CSCC1CC[NH2+]CC1 ZINC000576582267 365630276 /nfs/dbraw/zinc/63/02/76/365630276.db2.gz OUQKMCDGGVDEKJ-UHFFFAOYSA-N 1 2 212.322 1.038 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)CO ZINC000090281622 178299240 /nfs/dbraw/zinc/29/92/40/178299240.db2.gz FKNZOPXCUFMESB-LLVKDONJSA-N 1 2 232.283 1.308 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NCCO ZINC000063105661 178299321 /nfs/dbraw/zinc/29/93/21/178299321.db2.gz VPLZHNLJNTWDIW-UHFFFAOYSA-N 1 2 202.257 1.947 20 0 BDADLO Cc1cc[nH+]c(NCCC[S@](C)=O)c1Cl ZINC000336735450 178309273 /nfs/dbraw/zinc/30/92/73/178309273.db2.gz OGDWHBKJVKCBLE-HNNXBMFYSA-N 1 2 246.763 1.646 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N(C1CC1)C1CC1 ZINC000636725970 349537746 /nfs/dbraw/zinc/53/77/46/349537746.db2.gz SZBJSLVMMLSIHN-UHFFFAOYSA-N 1 2 234.303 1.257 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ncc[nH]1 ZINC000287330536 538944701 /nfs/dbraw/zinc/94/47/01/538944701.db2.gz FYBJPPFDRNGPJL-ZJUUUORDSA-N 1 2 236.319 1.071 20 0 BDADLO OC[C@H]1C=C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000576684210 365656475 /nfs/dbraw/zinc/65/64/75/365656475.db2.gz YKACIPODAFMTEV-GXSJLCMTSA-N 1 2 246.314 1.400 20 0 BDADLO OC[C@H]1C=C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000576684210 365656478 /nfs/dbraw/zinc/65/64/78/365656478.db2.gz YKACIPODAFMTEV-GXSJLCMTSA-N 1 2 246.314 1.400 20 0 BDADLO Cc1ccc(-c2noc([C@H]([NH3+])CO)n2)cc1 ZINC000021501853 178343577 /nfs/dbraw/zinc/34/35/77/178343577.db2.gz BHLWLYXLLSHDIL-SECBINFHSA-N 1 2 219.244 1.037 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCC(C)(C)C ZINC000290917130 538947058 /nfs/dbraw/zinc/94/70/58/538947058.db2.gz XASPYXWOXKVVMR-UHFFFAOYSA-N 1 2 224.308 1.265 20 0 BDADLO C[C@@H](CNC(=O)C12CC(C1)C2)Cn1cc[nH+]c1 ZINC000625751553 398254394 /nfs/dbraw/zinc/25/43/94/398254394.db2.gz JHRPCYIOFPESFT-ZBOXLXRLSA-N 1 2 233.315 1.436 20 0 BDADLO CCc1occc1C(=O)NCc1c[nH+]cn1C ZINC000291460931 538947916 /nfs/dbraw/zinc/94/79/16/538947916.db2.gz OBVSMOQRCJDEAC-UHFFFAOYSA-N 1 2 233.271 1.506 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@@H](C)O ZINC000649460322 398261879 /nfs/dbraw/zinc/26/18/79/398261879.db2.gz GSTIFMIUKLVDBR-ZJUUUORDSA-N 1 2 237.347 1.767 20 0 BDADLO CCCc1occc1C(=O)NCc1c[nH+]cn1C ZINC000291505300 538948136 /nfs/dbraw/zinc/94/81/36/538948136.db2.gz SNFYAAQEVYCHJN-UHFFFAOYSA-N 1 2 247.298 1.896 20 0 BDADLO COCCC[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291491708 538948264 /nfs/dbraw/zinc/94/82/64/538948264.db2.gz RFLCITPWLDPMRR-SNVBAGLBSA-N 1 2 239.319 1.099 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccc(=O)[nH]c1 ZINC000602451340 349552224 /nfs/dbraw/zinc/55/22/24/349552224.db2.gz YMKBCFXBNCPBOT-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(=O)[nH]c1 ZINC000602451340 349552227 /nfs/dbraw/zinc/55/22/27/349552227.db2.gz YMKBCFXBNCPBOT-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000066864538 361826584 /nfs/dbraw/zinc/82/65/84/361826584.db2.gz YYTMDEULDLWQCK-GFCCVEGCSA-N 1 2 249.358 1.733 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000066864538 361826588 /nfs/dbraw/zinc/82/65/88/361826588.db2.gz YYTMDEULDLWQCK-GFCCVEGCSA-N 1 2 249.358 1.733 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1c2c(nn1C)CCCC2 ZINC000639122352 398260364 /nfs/dbraw/zinc/26/03/64/398260364.db2.gz FBXSHCRAXUNSOV-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1c2c(nn1C)CCCC2 ZINC000639122352 398260367 /nfs/dbraw/zinc/26/03/67/398260367.db2.gz FBXSHCRAXUNSOV-LLVKDONJSA-N 1 2 249.358 1.520 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000602488076 349569127 /nfs/dbraw/zinc/56/91/27/349569127.db2.gz ZLZRQCVXSBHFMY-PWSUYJOCSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000602488076 349569130 /nfs/dbraw/zinc/56/91/30/349569130.db2.gz ZLZRQCVXSBHFMY-PWSUYJOCSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2ccoc2)on1 ZINC000602524837 349576903 /nfs/dbraw/zinc/57/69/03/349576903.db2.gz FUOKZLKMHPPLHU-UHFFFAOYSA-N 1 2 236.227 1.344 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2ccco2)on1 ZINC000602503402 349581217 /nfs/dbraw/zinc/58/12/17/349581217.db2.gz IRXQNASZIMALMK-UHFFFAOYSA-N 1 2 236.227 1.344 20 0 BDADLO CC(C)([NH2+]CC(F)F)C(=O)NCC1CCCC1 ZINC000179604568 538955336 /nfs/dbraw/zinc/95/53/36/538955336.db2.gz QNQADUWZXLJTQW-UHFFFAOYSA-N 1 2 248.317 1.926 20 0 BDADLO CCn1ccnc1C[NH+]1CC(C)(CCOC)C1 ZINC000580285746 346853816 /nfs/dbraw/zinc/85/38/16/346853816.db2.gz RDHNPXJCUYSTQA-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO COCC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000053258250 346848933 /nfs/dbraw/zinc/84/89/33/346848933.db2.gz USZVJJUNPDIMIU-UHFFFAOYSA-N 1 2 229.320 1.488 20 0 BDADLO COC(=O)C(C)(C)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000600115320 342672699 /nfs/dbraw/zinc/67/26/99/342672699.db2.gz IAFXHGVNNCGEGK-UHFFFAOYSA-N 1 2 225.292 1.102 20 0 BDADLO COC(=O)[C@@H](NCc1[nH]cc(C)[nH+]1)C(C)(C)C ZINC000600149437 342691265 /nfs/dbraw/zinc/69/12/65/342691265.db2.gz YEPWYGOEGZMPIS-SNVBAGLBSA-N 1 2 239.319 1.395 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC1CC1 ZINC000181837952 538961451 /nfs/dbraw/zinc/96/14/51/538961451.db2.gz UUNIZFOZPIXKIZ-UHFFFAOYSA-N 1 2 203.249 1.278 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000602588846 349613653 /nfs/dbraw/zinc/61/36/53/349613653.db2.gz ABXPLPBOZZCHQH-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000602589405 349613672 /nfs/dbraw/zinc/61/36/72/349613672.db2.gz DGBQWPKNWGFIEB-GWCFXTLKSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)[nH]1 ZINC000600224550 342713831 /nfs/dbraw/zinc/71/38/31/342713831.db2.gz TXUKMDSNHCGLEF-UHFFFAOYSA-N 1 2 232.287 1.627 20 0 BDADLO CCc1noc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)n1 ZINC000605317373 342750414 /nfs/dbraw/zinc/75/04/14/342750414.db2.gz WIXSGOQZJPQMNY-BDAKNGLRSA-N 1 2 241.360 1.958 20 0 BDADLO CCc1noc(C[N@H+]2CCS[C@@H](C)[C@H]2C)n1 ZINC000605317373 342750415 /nfs/dbraw/zinc/75/04/15/342750415.db2.gz WIXSGOQZJPQMNY-BDAKNGLRSA-N 1 2 241.360 1.958 20 0 BDADLO O=C1CC[N@@H+](CCOCC(F)F)C2(CCC2)C1 ZINC000583942441 342729538 /nfs/dbraw/zinc/72/95/38/342729538.db2.gz DMEJOXNNQZVMTD-UHFFFAOYSA-N 1 2 247.285 1.856 20 0 BDADLO O=C1CC[N@H+](CCOCC(F)F)C2(CCC2)C1 ZINC000583942441 342729539 /nfs/dbraw/zinc/72/95/39/342729539.db2.gz DMEJOXNNQZVMTD-UHFFFAOYSA-N 1 2 247.285 1.856 20 0 BDADLO C[C@H]([NH2+]Cc1noc(C2CC2)n1)[C@H]1CCCO1 ZINC000183108018 538965760 /nfs/dbraw/zinc/96/57/60/538965760.db2.gz QFNSLZYXYSLNJA-WCBMZHEXSA-N 1 2 237.303 1.604 20 0 BDADLO CCOCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000607735289 342784886 /nfs/dbraw/zinc/78/48/86/342784886.db2.gz BUMUKGZPLWNVBF-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CCOCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000607735289 342784888 /nfs/dbraw/zinc/78/48/88/342784888.db2.gz BUMUKGZPLWNVBF-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO COCCC[N@H+](C)Cc1noc(C(C)C)n1 ZINC000066378289 342788868 /nfs/dbraw/zinc/78/88/68/342788868.db2.gz PURYGGWHDZSBNU-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO COCCC[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000066378289 342788869 /nfs/dbraw/zinc/78/88/69/342788869.db2.gz PURYGGWHDZSBNU-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CCn1ccnc1CNc1cccc(CO)[nH+]1 ZINC000583971950 342790528 /nfs/dbraw/zinc/79/05/28/342790528.db2.gz DJGIKXALSYBGQC-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO O=C1NCC[C@@H]1[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000634581057 342796229 /nfs/dbraw/zinc/79/62/29/342796229.db2.gz PFSDJFOWRWRHDW-QWRGUYRKSA-N 1 2 240.253 1.314 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000623679713 398290255 /nfs/dbraw/zinc/29/02/55/398290255.db2.gz GSGGJPWGVSYLER-RKDXNWHRSA-N 1 2 206.280 1.571 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2)CCO1 ZINC000624653902 342810912 /nfs/dbraw/zinc/81/09/12/342810912.db2.gz QKFZDGJUTOUMTB-LBPRGKRZSA-N 1 2 248.326 1.137 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2)CCO1 ZINC000624653902 342810913 /nfs/dbraw/zinc/81/09/13/342810913.db2.gz QKFZDGJUTOUMTB-LBPRGKRZSA-N 1 2 248.326 1.137 20 0 BDADLO c1cc(N[C@H]2CO[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000624673550 342817280 /nfs/dbraw/zinc/81/72/80/342817280.db2.gz LEICSNJQTIFGPP-NEPJUHHUSA-N 1 2 245.326 1.755 20 0 BDADLO CCc1cc(N(C)C[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000624689336 342820424 /nfs/dbraw/zinc/82/04/24/342820424.db2.gz YFRSNDNVUFQJIH-JGZJWPJOSA-N 1 2 221.304 1.246 20 0 BDADLO CCC(O)(CC)CN(C)c1cc[nH+]c(C)n1 ZINC000624712058 342821156 /nfs/dbraw/zinc/82/11/56/342821156.db2.gz AFVJKSVOJTUJKE-UHFFFAOYSA-N 1 2 223.320 1.772 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000624724930 342822625 /nfs/dbraw/zinc/82/26/25/342822625.db2.gz HOPLSHOBKJISKB-MGCOHNPYSA-N 1 2 235.331 1.785 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000335464470 398289741 /nfs/dbraw/zinc/28/97/41/398289741.db2.gz JTEULFLSWGIGHO-JDNHERCYSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000335464470 398289743 /nfs/dbraw/zinc/28/97/43/398289743.db2.gz JTEULFLSWGIGHO-JDNHERCYSA-N 1 2 241.360 1.061 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000624755917 342825079 /nfs/dbraw/zinc/82/50/79/342825079.db2.gz SLDRQNLCXYKDHM-KLPPZKSPSA-N 1 2 247.342 1.921 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)C[C@H]1CCCCO1 ZINC000649494463 398289813 /nfs/dbraw/zinc/28/98/13/398289813.db2.gz PFMBMZJQHMTKKL-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)C[C@H]1CCCCO1 ZINC000649494463 398289815 /nfs/dbraw/zinc/28/98/15/398289815.db2.gz PFMBMZJQHMTKKL-CQSZACIVSA-N 1 2 249.358 1.830 20 0 BDADLO CCO[C@H]1C[C@](CO)([NH2+]CC(F)F)C1(C)C ZINC000189980907 538986244 /nfs/dbraw/zinc/98/62/44/538986244.db2.gz HZUZKEIMTVLBGJ-GZMMTYOYSA-N 1 2 237.290 1.407 20 0 BDADLO CN(CCNc1cccc[nH+]1)CC(F)F ZINC000624762504 342827411 /nfs/dbraw/zinc/82/74/11/342827411.db2.gz SUVNJZFVDJUIRZ-UHFFFAOYSA-N 1 2 215.247 1.690 20 0 BDADLO Fc1cccnc1C[NH2+]Cc1cn[nH]c1 ZINC000380194110 538987173 /nfs/dbraw/zinc/98/71/73/538987173.db2.gz QJTGLNPOKUVQSI-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO CC(=O)NC[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000624768198 342827882 /nfs/dbraw/zinc/82/78/82/342827882.db2.gz PAZPMDJCYHONKO-GFCCVEGCSA-N 1 2 248.330 1.280 20 0 BDADLO CC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000624766444 342827899 /nfs/dbraw/zinc/82/78/99/342827899.db2.gz XDLUZCDLUCWEDX-GFCCVEGCSA-N 1 2 248.330 1.280 20 0 BDADLO CC(C)[C@@H](CCO)Nc1cc[nH+]cc1F ZINC000380274592 538988799 /nfs/dbraw/zinc/98/87/99/538988799.db2.gz XLGACSRZFZWFPB-SNVBAGLBSA-N 1 2 212.268 1.462 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cocn1 ZINC000191088669 538990843 /nfs/dbraw/zinc/99/08/43/538990843.db2.gz JYASITDCRPFHBI-GFCCVEGCSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cocn1 ZINC000191088669 538990844 /nfs/dbraw/zinc/99/08/44/538990844.db2.gz JYASITDCRPFHBI-GFCCVEGCSA-N 1 2 246.314 1.918 20 0 BDADLO Cc1cncc(CC[N@@H+](C)Cc2cscn2)n1 ZINC000649495860 398293732 /nfs/dbraw/zinc/29/37/32/398293732.db2.gz ASGGFQHUOYXBEQ-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1cncc(CC[N@H+](C)Cc2cscn2)n1 ZINC000649495860 398293734 /nfs/dbraw/zinc/29/37/34/398293734.db2.gz ASGGFQHUOYXBEQ-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC(C)(C)O1 ZINC000649496609 398291002 /nfs/dbraw/zinc/29/10/02/398291002.db2.gz CXHWFCRFPVYZLH-LLVKDONJSA-N 1 2 249.358 1.829 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC(C)(C)O1 ZINC000649496609 398291004 /nfs/dbraw/zinc/29/10/04/398291004.db2.gz CXHWFCRFPVYZLH-LLVKDONJSA-N 1 2 249.358 1.829 20 0 BDADLO Cc1cnc(C[NH2+]Cc2[nH]ncc2C)s1 ZINC000379976215 538983418 /nfs/dbraw/zinc/98/34/18/538983418.db2.gz DNKUNSOYBHXBGD-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1cnc(C[NH2+]Cc2n[nH]cc2C)s1 ZINC000379976215 538983419 /nfs/dbraw/zinc/98/34/19/538983419.db2.gz DNKUNSOYBHXBGD-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Clc1cncnc1N1CC[NH+](C2CC2)CC1 ZINC000189750761 538984689 /nfs/dbraw/zinc/98/46/89/538984689.db2.gz VEOFNUAYZRBNDF-UHFFFAOYSA-N 1 2 238.722 1.414 20 0 BDADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1nccn1C ZINC000381463856 539001227 /nfs/dbraw/zinc/00/12/27/539001227.db2.gz KPBOXRBWGXKMPM-MRVPVSSYSA-N 1 2 219.292 1.302 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000193401633 539005660 /nfs/dbraw/zinc/00/56/60/539005660.db2.gz RNGDZVNJOCXVOK-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000193401633 539005661 /nfs/dbraw/zinc/00/56/61/539005661.db2.gz RNGDZVNJOCXVOK-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO COc1ccc(NCCC2CCOCC2)[nH+]c1 ZINC000383952630 539012303 /nfs/dbraw/zinc/01/23/03/539012303.db2.gz GURAXLWWCLYDDR-UHFFFAOYSA-N 1 2 236.315 1.741 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1cc[nH+]c(C2CC2)n1 ZINC000381371160 538999531 /nfs/dbraw/zinc/99/95/31/538999531.db2.gz IIGIZUATHVUGKU-BDAKNGLRSA-N 1 2 221.304 1.347 20 0 BDADLO Cn1c[nH+]c(CNC(C)(C)c2nccs2)c1 ZINC000390263954 539021044 /nfs/dbraw/zinc/02/10/44/539021044.db2.gz OXLMAAKOHSFJFH-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO Cn1cnc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000390263954 539021045 /nfs/dbraw/zinc/02/10/45/539021045.db2.gz OXLMAAKOHSFJFH-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000389312537 539016150 /nfs/dbraw/zinc/01/61/50/539016150.db2.gz UZALEZCNYIPBKP-GFCCVEGCSA-N 1 2 246.289 1.731 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@@H]2C(F)F)n1C ZINC000348849450 136242054 /nfs/dbraw/zinc/24/20/54/136242054.db2.gz QPXJHBPWJWTHCY-SECBINFHSA-N 1 2 229.274 1.958 20 0 BDADLO CCc1cnc(C[NH2+]Cc2cncnc2)s1 ZINC000164908937 342855684 /nfs/dbraw/zinc/85/56/84/342855684.db2.gz MOXBSCMGLZQSAB-UHFFFAOYSA-N 1 2 234.328 1.785 20 0 BDADLO C[N@H+](CC(=O)NCC(C)(C)C)Cc1ccco1 ZINC000625062653 342847557 /nfs/dbraw/zinc/84/75/57/342847557.db2.gz UGNGEVXCPLAFLB-UHFFFAOYSA-N 1 2 238.331 1.874 20 0 BDADLO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccco1 ZINC000625062653 342847558 /nfs/dbraw/zinc/84/75/58/342847558.db2.gz UGNGEVXCPLAFLB-UHFFFAOYSA-N 1 2 238.331 1.874 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC(C)(C)C)CCO1 ZINC000625078685 342849562 /nfs/dbraw/zinc/84/95/62/342849562.db2.gz UAELCQKKWBXVBJ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CCO1 ZINC000625078685 342849563 /nfs/dbraw/zinc/84/95/63/342849563.db2.gz UAELCQKKWBXVBJ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@]12CCOC2 ZINC000367062051 136242616 /nfs/dbraw/zinc/24/26/16/136242616.db2.gz JJLINSHBNJCWSR-CYBMUJFWSA-N 1 2 249.314 1.702 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@]12CCOC2 ZINC000367062051 136242617 /nfs/dbraw/zinc/24/26/17/136242617.db2.gz JJLINSHBNJCWSR-CYBMUJFWSA-N 1 2 249.314 1.702 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2ccoc2)n1 ZINC000625098757 342853254 /nfs/dbraw/zinc/85/32/54/342853254.db2.gz IGMJAQSLXFYCKM-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2ccoc2)n1 ZINC000625098757 342853256 /nfs/dbraw/zinc/85/32/56/342853256.db2.gz IGMJAQSLXFYCKM-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+]Cc2noc(C)n2)C12CCC2 ZINC000308399653 346868142 /nfs/dbraw/zinc/86/81/42/346868142.db2.gz VLZAFXQYMNQWTH-NXEZZACHSA-N 1 2 237.303 1.425 20 0 BDADLO Cc1[nH]nc(NC(=O)CCn2cc[nH+]c2)c1C ZINC000134560854 342866172 /nfs/dbraw/zinc/86/61/72/342866172.db2.gz FQDROQUZQSMALY-UHFFFAOYSA-N 1 2 233.275 1.252 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)CC[S@](C)=O ZINC000134591328 342871443 /nfs/dbraw/zinc/87/14/43/342871443.db2.gz BCUDCQVKHSYAKD-OMQMVUIESA-N 1 2 243.376 1.526 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C)C2 ZINC000336414507 398318713 /nfs/dbraw/zinc/31/87/13/398318713.db2.gz QWXKMKWTBRWZJT-SECBINFHSA-N 1 2 235.331 1.726 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C)CC2 ZINC000336414507 398318715 /nfs/dbraw/zinc/31/87/15/398318715.db2.gz QWXKMKWTBRWZJT-SECBINFHSA-N 1 2 235.331 1.726 20 0 BDADLO CCSCC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC000380004432 342903639 /nfs/dbraw/zinc/90/36/39/342903639.db2.gz OQJXOOFNRBYZGF-LLVKDONJSA-N 1 2 231.361 1.671 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccns1 ZINC000602616249 349638089 /nfs/dbraw/zinc/63/80/89/349638089.db2.gz SPQCILTYYLZKNE-XLKFXECMSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccns1 ZINC000602616249 349638091 /nfs/dbraw/zinc/63/80/91/349638091.db2.gz SPQCILTYYLZKNE-XLKFXECMSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH+]ccn1C)C(F)(F)F ZINC000625239536 342927709 /nfs/dbraw/zinc/92/77/09/342927709.db2.gz RRFBVTPSGADONY-ZETCQYMHSA-N 1 2 249.236 1.625 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348190095 536638565 /nfs/dbraw/zinc/63/85/65/536638565.db2.gz YFOKWEGATOZGDB-BIIVOSGPSA-N 1 2 237.246 1.298 20 0 BDADLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ncn1 ZINC000602601012 349647728 /nfs/dbraw/zinc/64/77/28/349647728.db2.gz JROLUHDTXLUQCU-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000602633267 349649738 /nfs/dbraw/zinc/64/97/38/349649738.db2.gz FTMHPUWVXQIRTP-JQWIXIFHSA-N 1 2 248.326 1.480 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)no1 ZINC000351627725 136248578 /nfs/dbraw/zinc/24/85/78/136248578.db2.gz KEAMLYLKYYLGJZ-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)no1 ZINC000351627725 136248579 /nfs/dbraw/zinc/24/85/79/136248579.db2.gz KEAMLYLKYYLGJZ-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1cc(N[C@@H]2COCC2(C)C)nc[nH+]1 ZINC000313055947 259330239 /nfs/dbraw/zinc/33/02/39/259330239.db2.gz JELCBYJOMHFZGB-SECBINFHSA-N 1 2 207.277 1.622 20 0 BDADLO CCC[C@@](C)([NH2+]CCOCC1CC1)C(=O)OC ZINC000119647471 398328212 /nfs/dbraw/zinc/32/82/12/398328212.db2.gz PXTDLBDAFUPRDZ-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1nccn1C ZINC000162328703 349660360 /nfs/dbraw/zinc/66/03/60/349660360.db2.gz PEQFRFKNJHGSCS-UHFFFAOYSA-N 1 2 248.330 1.699 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1nccn1C ZINC000162328703 349660362 /nfs/dbraw/zinc/66/03/62/349660362.db2.gz PEQFRFKNJHGSCS-UHFFFAOYSA-N 1 2 248.330 1.699 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000602643367 349655123 /nfs/dbraw/zinc/65/51/23/349655123.db2.gz FJQJFAZNIVAZKH-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000602643702 349656001 /nfs/dbraw/zinc/65/60/01/349656001.db2.gz IHNLLKDKLQXXNA-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000353609799 398337927 /nfs/dbraw/zinc/33/79/27/398337927.db2.gz PJYQPOMHOHOTEN-NEPJUHHUSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000353609799 398337928 /nfs/dbraw/zinc/33/79/28/398337928.db2.gz PJYQPOMHOHOTEN-NEPJUHHUSA-N 1 2 239.315 1.217 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC1(C)C ZINC000044367933 398338793 /nfs/dbraw/zinc/33/87/93/398338793.db2.gz NQRRPMMCFCFUJP-QMMMGPOBSA-N 1 2 217.276 1.574 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)F ZINC000493449250 529457688 /nfs/dbraw/zinc/45/76/88/529457688.db2.gz JWHJQNFJUINBJB-VEMNSZJBSA-N 1 2 229.230 1.583 20 0 BDADLO COC1(C(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000336590973 398335131 /nfs/dbraw/zinc/33/51/31/398335131.db2.gz YJCUOHPLEOXHMS-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@@H]1[C@H](CO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493282574 529483877 /nfs/dbraw/zinc/48/38/77/529483877.db2.gz GPULXCOXXNSIDC-MJKAUQOVSA-N 1 2 249.314 1.042 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCO[C@@H](C)C1 ZINC000234789655 342942892 /nfs/dbraw/zinc/94/28/92/342942892.db2.gz IXVBIHVSZLISHU-JGVFFNPUSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCO[C@@H](C)C1 ZINC000234789655 342942893 /nfs/dbraw/zinc/94/28/93/342942893.db2.gz IXVBIHVSZLISHU-JGVFFNPUSA-N 1 2 238.291 1.047 20 0 BDADLO CC[C@](C)(C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679331 349672048 /nfs/dbraw/zinc/67/20/48/349672048.db2.gz DEUGNYOFQSQQDM-CMPLNLGQSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679715 349672748 /nfs/dbraw/zinc/67/27/48/349672748.db2.gz ILFATQURXIMVDR-SRVKXCTJSA-N 1 2 245.363 1.977 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@H]1CCOC1 ZINC000493186471 529502538 /nfs/dbraw/zinc/50/25/38/529502538.db2.gz HLDRQYANFBSTKR-BYCRGOAPSA-N 1 2 246.310 1.597 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000602694566 349691822 /nfs/dbraw/zinc/69/18/22/349691822.db2.gz IYNGQRFLSBJJTG-DLOVCJGASA-N 1 2 241.331 1.485 20 0 BDADLO CC[C@@](C)(C[NH2+][C@H](CC1CC1)C(=O)OC)OC ZINC000602697518 349693541 /nfs/dbraw/zinc/69/35/41/349693541.db2.gz VJTXSBCAGBVMCI-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO CCc1cc(C)c(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000488178857 529524678 /nfs/dbraw/zinc/52/46/78/529524678.db2.gz BTCMIXLMPDRCPO-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CCc1cc(C)c(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000488178857 529524679 /nfs/dbraw/zinc/52/46/79/529524679.db2.gz BTCMIXLMPDRCPO-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)sn1 ZINC000602712885 349704685 /nfs/dbraw/zinc/70/46/85/349704685.db2.gz PRKQBQHRSPDTLY-KPWYMIHSSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)sn1 ZINC000602712885 349704687 /nfs/dbraw/zinc/70/46/87/349704687.db2.gz PRKQBQHRSPDTLY-KPWYMIHSSA-N 1 2 242.369 1.157 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(C)C1 ZINC000493031968 529551309 /nfs/dbraw/zinc/55/13/09/529551309.db2.gz YEEGYVIVGSEJFB-SNAWJCMRSA-N 1 2 219.288 1.395 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[C@H]1C ZINC000492271394 529553852 /nfs/dbraw/zinc/55/38/52/529553852.db2.gz GDSOEEOMWFRKNN-ZJRFNNFUSA-N 1 2 233.315 1.688 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NOCCC1CC1 ZINC000492904815 529555238 /nfs/dbraw/zinc/55/52/38/529555238.db2.gz YVCJBSMVSARWBM-AATRIKPKSA-N 1 2 249.314 1.764 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C2CC2)CC1 ZINC000492493360 529558709 /nfs/dbraw/zinc/55/87/09/529558709.db2.gz OASLSFIUJSMJOK-WAYWQWQTSA-N 1 2 245.326 1.975 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)COC ZINC000492376289 529560662 /nfs/dbraw/zinc/56/06/62/529560662.db2.gz DTXAPWUUBJJCEQ-WWQCOOJYSA-N 1 2 237.303 1.067 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)C(C)C ZINC000492487340 529550039 /nfs/dbraw/zinc/55/00/39/529550039.db2.gz CQEIDVUHWLIVGQ-VOTSOKGWSA-N 1 2 221.304 1.783 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)C1CC1 ZINC000492487323 529550046 /nfs/dbraw/zinc/55/00/46/529550046.db2.gz CNCZKPAOPDQNOU-VOTSOKGWSA-N 1 2 219.288 1.537 20 0 BDADLO CC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(F)F ZINC000493348759 529572681 /nfs/dbraw/zinc/57/26/81/529572681.db2.gz FLUFMFNPQGLARZ-KGGZQZJCSA-N 1 2 229.230 1.583 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2c1CCOC2 ZINC000602766001 349721660 /nfs/dbraw/zinc/72/16/60/349721660.db2.gz JXYOQZBXJCKFJO-UHFFFAOYSA-N 1 2 249.310 1.364 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2c1CCOC2 ZINC000602766001 349721663 /nfs/dbraw/zinc/72/16/63/349721663.db2.gz JXYOQZBXJCKFJO-UHFFFAOYSA-N 1 2 249.310 1.364 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000602768363 349723611 /nfs/dbraw/zinc/72/36/11/349723611.db2.gz NBMVWNNVYQDATB-LBPRGKRZSA-N 1 2 247.346 1.392 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000602768363 349723615 /nfs/dbraw/zinc/72/36/15/349723615.db2.gz NBMVWNNVYQDATB-LBPRGKRZSA-N 1 2 247.346 1.392 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602770206 349724657 /nfs/dbraw/zinc/72/46/57/349724657.db2.gz OOGMGYORUMBUFC-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602770206 349724660 /nfs/dbraw/zinc/72/46/60/349724660.db2.gz OOGMGYORUMBUFC-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2ncc[nH]2)[nH]c1C ZINC000602731072 349717104 /nfs/dbraw/zinc/71/71/04/349717104.db2.gz KGAMCQNWSYOIOZ-UHFFFAOYSA-N 1 2 248.286 1.123 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOCC12CCC2 ZINC000602795977 349738013 /nfs/dbraw/zinc/73/80/13/349738013.db2.gz IVIAERKPZXJPLT-UHFFFAOYSA-N 1 2 223.320 1.044 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOCC12CCC2 ZINC000602795977 349738014 /nfs/dbraw/zinc/73/80/14/349738014.db2.gz IVIAERKPZXJPLT-UHFFFAOYSA-N 1 2 223.320 1.044 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000602771515 349726151 /nfs/dbraw/zinc/72/61/51/349726151.db2.gz BXTLPZOIDSZXGI-SNVBAGLBSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCN(C#N)CC ZINC000602762073 349733556 /nfs/dbraw/zinc/73/35/56/349733556.db2.gz GPRRAHIUHRZFAN-NWDGAFQWSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCN(C#N)CC ZINC000602762073 349733558 /nfs/dbraw/zinc/73/35/58/349733558.db2.gz GPRRAHIUHRZFAN-NWDGAFQWSA-N 1 2 225.336 1.289 20 0 BDADLO CC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025263892 343014555 /nfs/dbraw/zinc/01/45/55/343014555.db2.gz NZUWUSIMERWZNY-UHFFFAOYSA-N 1 2 215.256 1.890 20 0 BDADLO CC[C@@H]1C[N@H+](CCN(C#N)CC)C[C@H](C)O1 ZINC000602782957 349748044 /nfs/dbraw/zinc/74/80/44/349748044.db2.gz KQYACSFGTJUJQV-NWDGAFQWSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@@H]1C[N@@H+](CCN(C#N)CC)C[C@H](C)O1 ZINC000602782957 349748046 /nfs/dbraw/zinc/74/80/46/349748046.db2.gz KQYACSFGTJUJQV-NWDGAFQWSA-N 1 2 225.336 1.289 20 0 BDADLO Cc1ccc(F)cc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634615873 343013652 /nfs/dbraw/zinc/01/36/52/343013652.db2.gz USMVXZFQISKVMT-SNVBAGLBSA-N 1 2 247.273 1.446 20 0 BDADLO CC1(C)CCC[C@@H]1n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000634626110 343031198 /nfs/dbraw/zinc/03/11/98/343031198.db2.gz XEWLXJGUZXXEER-KOLCDFICSA-N 1 2 235.331 1.373 20 0 BDADLO CC[C@H]1C(=O)N(CCCn2cc[nH+]c2)N=C1C ZINC000634633763 343046631 /nfs/dbraw/zinc/04/66/31/343046631.db2.gz FXDVYLCEGXGDRU-LLVKDONJSA-N 1 2 234.303 1.518 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602853143 349787247 /nfs/dbraw/zinc/78/72/47/349787247.db2.gz HKRYUVRUXUDERU-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602853143 349787248 /nfs/dbraw/zinc/78/72/48/349787248.db2.gz HKRYUVRUXUDERU-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO NC(=O)c1cccc(CCNc2cccc[nH+]2)c1 ZINC000301188686 136264935 /nfs/dbraw/zinc/26/49/35/136264935.db2.gz QPNZHGFHYDRXDX-UHFFFAOYSA-N 1 2 241.294 1.835 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000634505692 362015112 /nfs/dbraw/zinc/01/51/12/362015112.db2.gz PNGVEILHTOYXDN-HTQZYQBOSA-N 1 2 247.220 1.030 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12CCOC(C)(C)C2 ZINC000634533857 362028305 /nfs/dbraw/zinc/02/83/05/362028305.db2.gz RPDVXMLCOXHFKP-CYBMUJFWSA-N 1 2 240.347 1.504 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12CCOC(C)(C)C2 ZINC000634533857 362028308 /nfs/dbraw/zinc/02/83/08/362028308.db2.gz RPDVXMLCOXHFKP-CYBMUJFWSA-N 1 2 240.347 1.504 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000449472339 259349212 /nfs/dbraw/zinc/34/92/12/259349212.db2.gz PHQSYLZLYWPJKS-PSASIEDQSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000449472339 259349213 /nfs/dbraw/zinc/34/92/13/259349213.db2.gz PHQSYLZLYWPJKS-PSASIEDQSA-N 1 2 245.273 1.623 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)nc1 ZINC000576872391 365708456 /nfs/dbraw/zinc/70/84/56/365708456.db2.gz QAFYKHXPYLFVGA-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)nc1 ZINC000576872391 365708463 /nfs/dbraw/zinc/70/84/63/365708463.db2.gz QAFYKHXPYLFVGA-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO CC[C@@H](NC(=O)NCc1[nH+]ccn1C)C(F)F ZINC000640807665 362056719 /nfs/dbraw/zinc/05/67/19/362056719.db2.gz NPCFYMVSXKRPFE-SSDOTTSWSA-N 1 2 246.261 1.263 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)O1 ZINC000394978084 362103314 /nfs/dbraw/zinc/10/33/14/362103314.db2.gz COFASXOBGGCSAV-NQMVMOMDSA-N 1 2 247.302 1.341 20 0 BDADLO CC[C@H](O)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493152781 529686761 /nfs/dbraw/zinc/68/67/61/529686761.db2.gz LDQWNCGBETVZJY-PORFMDCZSA-N 1 2 237.303 1.090 20 0 BDADLO CCC(CC)Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640939918 362079806 /nfs/dbraw/zinc/07/98/06/362079806.db2.gz XCJCCCUOVDNAMM-GFCCVEGCSA-N 1 2 238.335 1.375 20 0 BDADLO CCC(CC)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000640938569 362082748 /nfs/dbraw/zinc/08/27/48/362082748.db2.gz RMTRDAIGRMCROX-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CCC(CC)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000640938569 362082754 /nfs/dbraw/zinc/08/27/54/362082754.db2.gz RMTRDAIGRMCROX-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CO[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575753 192354494 /nfs/dbraw/zinc/35/44/94/192354494.db2.gz KVHWUZVSPCVBDJ-JTQLQIEISA-N 1 2 222.288 1.350 20 0 BDADLO CC(C)=CCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640945908 362088103 /nfs/dbraw/zinc/08/81/03/362088103.db2.gz RCNUANGNZRGUPY-UHFFFAOYSA-N 1 2 231.303 1.879 20 0 BDADLO CN(Cc1cccc(O)c1)C(=O)Cn1cc[nH+]c1 ZINC000576875803 365711563 /nfs/dbraw/zinc/71/15/63/365711563.db2.gz RTAPQBCUOHUWTO-UHFFFAOYSA-N 1 2 245.282 1.247 20 0 BDADLO Cn1ccc(C[NH2+]Cc2nccs2)n1 ZINC000112341914 343136410 /nfs/dbraw/zinc/13/64/10/343136410.db2.gz CMPIZSOZBBIKAQ-UHFFFAOYSA-N 1 2 208.290 1.166 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625271953 343184462 /nfs/dbraw/zinc/18/44/62/343184462.db2.gz ASXSQSVRSHCMTN-WCBMZHEXSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625271953 343184467 /nfs/dbraw/zinc/18/44/67/343184467.db2.gz ASXSQSVRSHCMTN-WCBMZHEXSA-N 1 2 237.303 1.292 20 0 BDADLO COC[C@H]([NH2+][C@H](CC(C)C)C(=O)OC)C(C)C ZINC000126168600 343169167 /nfs/dbraw/zinc/16/91/67/343169167.db2.gz BFSWFBWYEOBVKQ-NEPJUHHUSA-N 1 2 245.363 1.835 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000125373196 343172868 /nfs/dbraw/zinc/17/28/68/343172868.db2.gz INZPZZPTBMGICW-MRVPVSSYSA-N 1 2 219.244 1.802 20 0 BDADLO C[C@@H](NC(=O)c1cccn1C)c1[nH]cc[nH+]1 ZINC000125374261 343173138 /nfs/dbraw/zinc/17/31/38/343173138.db2.gz VTJMPGJEWLZTFX-MRVPVSSYSA-N 1 2 218.260 1.239 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1ccoc1 ZINC000134838958 343196075 /nfs/dbraw/zinc/19/60/75/343196075.db2.gz RLAODRCDBHCSER-UHFFFAOYSA-N 1 2 234.259 1.297 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1ccoc1 ZINC000134838958 343196077 /nfs/dbraw/zinc/19/60/77/343196077.db2.gz RLAODRCDBHCSER-UHFFFAOYSA-N 1 2 234.259 1.297 20 0 BDADLO COc1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000140997585 343197418 /nfs/dbraw/zinc/19/74/18/343197418.db2.gz BPQGPMZFXRJKQQ-SECBINFHSA-N 1 2 245.282 1.909 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1CC1 ZINC000393580184 259356124 /nfs/dbraw/zinc/35/61/24/259356124.db2.gz DTIMLEDVZUJAHW-JTQLQIEISA-N 1 2 243.347 1.325 20 0 BDADLO CC(C)c1cc(NC(=O)CCn2cc[nH+]c2)n[nH]1 ZINC000134496321 343194740 /nfs/dbraw/zinc/19/47/40/343194740.db2.gz XNEOMFJQECVMNK-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000625312996 343230893 /nfs/dbraw/zinc/23/08/93/343230893.db2.gz HSXNTOBWPIOZHB-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000625312996 343230895 /nfs/dbraw/zinc/23/08/95/343230895.db2.gz HSXNTOBWPIOZHB-MWLCHTKSSA-N 1 2 239.294 1.665 20 0 BDADLO C[N@H+](CCCCO)Cc1noc(C2CCC2)n1 ZINC000625366898 343260606 /nfs/dbraw/zinc/26/06/06/343260606.db2.gz SCRFVRPHHZQDMO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO C[N@@H+](CCCCO)Cc1noc(C2CCC2)n1 ZINC000625366898 343260608 /nfs/dbraw/zinc/26/06/08/343260608.db2.gz SCRFVRPHHZQDMO-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO O=C(c1cn(Cc2c[nH]c[nH+]2)nn1)C1CCC1 ZINC000641035549 362147824 /nfs/dbraw/zinc/14/78/24/362147824.db2.gz OMENVLGYUIGGCR-UHFFFAOYSA-N 1 2 231.259 1.032 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1ccccc1F ZINC000036804674 343324613 /nfs/dbraw/zinc/32/46/13/343324613.db2.gz OGGROTRPAVRNRK-UHFFFAOYSA-N 1 2 219.263 1.849 20 0 BDADLO CCOCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055960 362168146 /nfs/dbraw/zinc/16/81/46/362168146.db2.gz ZDEBRCMTYQPORW-UHFFFAOYSA-N 1 2 235.291 1.101 20 0 BDADLO C[C@H](NCc1cscn1)c1[nH+]ccn1C ZINC000070008446 343296669 /nfs/dbraw/zinc/29/66/69/343296669.db2.gz HJSZSUCHBUIMRO-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCCO2)[nH+]1 ZINC000348722177 136294853 /nfs/dbraw/zinc/29/48/53/136294853.db2.gz SDARTYASGLMULB-SECBINFHSA-N 1 2 232.287 1.279 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000584063015 343311690 /nfs/dbraw/zinc/31/16/90/343311690.db2.gz FNNBQZMWMMDFEO-MRVPVSSYSA-N 1 2 217.276 1.359 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000036373590 343316977 /nfs/dbraw/zinc/31/69/77/343316977.db2.gz NWCUPCDYBWDXCK-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ncccc1C ZINC000036373590 343316979 /nfs/dbraw/zinc/31/69/79/343316979.db2.gz NWCUPCDYBWDXCK-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO C[C@@H]([NH2+]Cc1nncn1C)c1ccccc1F ZINC000038007519 343365027 /nfs/dbraw/zinc/36/50/27/343365027.db2.gz UREQSHUDRMHLJJ-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000122559544 343374829 /nfs/dbraw/zinc/37/48/29/343374829.db2.gz VYFVFISEEQDBMW-ZDUSSCGKSA-N 1 2 248.326 1.998 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000122559544 343374831 /nfs/dbraw/zinc/37/48/31/343374831.db2.gz VYFVFISEEQDBMW-ZDUSSCGKSA-N 1 2 248.326 1.998 20 0 BDADLO CCC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348802970 136301624 /nfs/dbraw/zinc/30/16/24/136301624.db2.gz OUGLJVAPAGOJGE-VIFPVBQESA-N 1 2 224.308 1.665 20 0 BDADLO CCC[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348802970 136301625 /nfs/dbraw/zinc/30/16/25/136301625.db2.gz OUGLJVAPAGOJGE-VIFPVBQESA-N 1 2 224.308 1.665 20 0 BDADLO COc1ncccc1C[NH2+]Cc1nccn1C ZINC000037650704 343350116 /nfs/dbraw/zinc/35/01/16/343350116.db2.gz NEJFETAYJRSYPV-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC(CF)C1 ZINC000335651758 136305291 /nfs/dbraw/zinc/30/52/91/136305291.db2.gz ZGWLQQYWWHWYIO-UHFFFAOYSA-N 1 2 248.261 1.768 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)nn1C ZINC000348930078 136309638 /nfs/dbraw/zinc/30/96/38/136309638.db2.gz XMVFTYZBWNCDNR-NSHDSACASA-N 1 2 247.346 1.655 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)nn1C ZINC000348930078 136309639 /nfs/dbraw/zinc/30/96/39/136309639.db2.gz XMVFTYZBWNCDNR-NSHDSACASA-N 1 2 247.346 1.655 20 0 BDADLO CC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)COC1 ZINC000335671056 136313436 /nfs/dbraw/zinc/31/34/36/136313436.db2.gz NEEJALHRTIPXQU-UHFFFAOYSA-N 1 2 249.314 1.152 20 0 BDADLO CC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)COC1 ZINC000335671056 136313437 /nfs/dbraw/zinc/31/34/37/136313437.db2.gz NEEJALHRTIPXQU-UHFFFAOYSA-N 1 2 249.314 1.152 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CC(C2CCC2)C1 ZINC000335660175 136314540 /nfs/dbraw/zinc/31/45/40/136314540.db2.gz AHTABMASYDKXNC-UHFFFAOYSA-N 1 2 205.305 1.950 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000148601838 343393079 /nfs/dbraw/zinc/39/30/79/343393079.db2.gz RZNMMCDSJLKNHZ-SFYZADRCSA-N 1 2 221.247 1.715 20 0 BDADLO CCN1CC[N@H+](Cc2cnccc2C)[C@@H](C)C1=O ZINC000335690866 136325144 /nfs/dbraw/zinc/32/51/44/136325144.db2.gz TXYMWNIOSNIREU-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cnccc2C)[C@@H](C)C1=O ZINC000335690866 136325145 /nfs/dbraw/zinc/32/51/45/136325145.db2.gz TXYMWNIOSNIREU-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccnc(F)c1 ZINC000041039898 343413664 /nfs/dbraw/zinc/41/36/64/343413664.db2.gz RPVFYODIOPGXGW-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO CSCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354484 343421793 /nfs/dbraw/zinc/42/17/93/343421793.db2.gz PHANVFQQFILVET-UHFFFAOYSA-N 1 2 238.312 1.034 20 0 BDADLO C[NH+]1CCN(C(=O)[C@H]2CCCCS2)CC1 ZINC000082303482 343438494 /nfs/dbraw/zinc/43/84/94/343438494.db2.gz WTBIVUOVWRTRJH-SNVBAGLBSA-N 1 2 228.361 1.046 20 0 BDADLO CC/C=C(\C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042532624 343441905 /nfs/dbraw/zinc/44/19/05/343441905.db2.gz JXMYJUKGQFBOQZ-IGLBNKAOSA-N 1 2 221.304 1.744 20 0 BDADLO Cc1ncccc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000349411761 136345132 /nfs/dbraw/zinc/34/51/32/136345132.db2.gz ARSUHKFJOSKIJM-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ncccc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000349411761 136345133 /nfs/dbraw/zinc/34/51/33/136345133.db2.gz ARSUHKFJOSKIJM-SNVBAGLBSA-N 1 2 248.248 1.745 20 0 BDADLO C[C@@H]1C[C@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641083485 362203437 /nfs/dbraw/zinc/20/34/37/362203437.db2.gz VQXWJLUJKKQEDC-ZJUUUORDSA-N 1 2 217.276 1.179 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042512077 343441052 /nfs/dbraw/zinc/44/10/52/343441052.db2.gz KJQRUHKMBVRFOZ-MNOVXSKESA-N 1 2 223.320 1.824 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000335724287 136346769 /nfs/dbraw/zinc/34/67/69/136346769.db2.gz VNESRASTMSDIML-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000335724287 136346770 /nfs/dbraw/zinc/34/67/70/136346770.db2.gz VNESRASTMSDIML-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CC2 ZINC000616413085 343427030 /nfs/dbraw/zinc/42/70/30/343427030.db2.gz PYCPDIHSIKHYPU-FXPVBKGRSA-N 1 2 231.299 1.192 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CC[C@H]2C)cc[nH+]1 ZINC000335732711 136349252 /nfs/dbraw/zinc/34/92/52/136349252.db2.gz QGWLKHOLCJNNSS-LDYMZIIASA-N 1 2 219.288 1.732 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOCC12CCC2 ZINC000335734356 136349863 /nfs/dbraw/zinc/34/98/63/136349863.db2.gz DMKDPPOHLIPQHH-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOCC12CCC2 ZINC000335734356 136349864 /nfs/dbraw/zinc/34/98/64/136349864.db2.gz DMKDPPOHLIPQHH-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccn(C)n1 ZINC000349445788 136351980 /nfs/dbraw/zinc/35/19/80/136351980.db2.gz ADJKMYLYKFIXAX-NSHDSACASA-N 1 2 234.303 1.957 20 0 BDADLO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349193596 136331100 /nfs/dbraw/zinc/33/11/00/136331100.db2.gz BDVJCRIGUZBDIJ-NXEZZACHSA-N 1 2 239.319 1.630 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000335719348 136340349 /nfs/dbraw/zinc/34/03/49/136340349.db2.gz UREUTMLHUXEZTE-JTQLQIEISA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000335719348 136340350 /nfs/dbraw/zinc/34/03/50/136340350.db2.gz UREUTMLHUXEZTE-JTQLQIEISA-N 1 2 240.347 1.107 20 0 BDADLO COCCC[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000350070147 136354112 /nfs/dbraw/zinc/35/41/12/136354112.db2.gz MJNLVCPYLLSCST-JTQLQIEISA-N 1 2 239.319 1.431 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000335849997 136355401 /nfs/dbraw/zinc/35/54/01/136355401.db2.gz BYIOTCFJQIPFHQ-SNVBAGLBSA-N 1 2 219.288 1.308 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)o1 ZINC000231651347 488219097 /nfs/dbraw/zinc/21/90/97/488219097.db2.gz LTGXXDHHZBLDSB-SECBINFHSA-N 1 2 239.319 1.376 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000042720701 343449579 /nfs/dbraw/zinc/44/95/79/343449579.db2.gz DOIXOOKOFGHXGS-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+]CC(=O)NC1CCCCC1 ZINC000166939823 136367999 /nfs/dbraw/zinc/36/79/99/136367999.db2.gz JPZYNOZBOGRKAE-GHMZBOCLSA-N 1 2 224.348 1.681 20 0 BDADLO CC1(C)COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000082680192 343459187 /nfs/dbraw/zinc/45/91/87/343459187.db2.gz ZKNWXHCHYVBYAL-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO CC1(C)COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000082680192 343459192 /nfs/dbraw/zinc/45/91/92/343459192.db2.gz ZKNWXHCHYVBYAL-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNc1c[nH]cn1 ZINC000576992260 365746187 /nfs/dbraw/zinc/74/61/87/365746187.db2.gz XPJYTHGKSAEYIM-UHFFFAOYSA-N 1 2 227.271 1.978 20 0 BDADLO COC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000616613183 343520889 /nfs/dbraw/zinc/52/08/89/343520889.db2.gz PSUBYFCYQLSGDS-MRVPVSSYSA-N 1 2 209.249 1.703 20 0 BDADLO CCn1ccnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000622712650 343521629 /nfs/dbraw/zinc/52/16/29/343521629.db2.gz GNCFSYQDXZZFDU-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000628289890 346945570 /nfs/dbraw/zinc/94/55/70/346945570.db2.gz RBJKKGPYJBOEJB-NSHDSACASA-N 1 2 231.303 1.362 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](n3cccn3)C2)n1 ZINC000628289890 346945573 /nfs/dbraw/zinc/94/55/73/346945573.db2.gz RBJKKGPYJBOEJB-NSHDSACASA-N 1 2 231.303 1.362 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616726992 343551739 /nfs/dbraw/zinc/55/17/39/343551739.db2.gz MYJAHHZVSCVHBN-RYUDHWBXSA-N 1 2 233.315 1.674 20 0 BDADLO CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000047028232 343556718 /nfs/dbraw/zinc/55/67/18/343556718.db2.gz MHOCJOQLTMLEPS-JTQLQIEISA-N 1 2 236.319 1.466 20 0 BDADLO COC(=O)c1ccoc1C[N@H+](CCO)C1CC1 ZINC000048065452 343570745 /nfs/dbraw/zinc/57/07/45/343570745.db2.gz CDWCQCYIIHOCES-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+](CCO)C1CC1 ZINC000048065452 343570747 /nfs/dbraw/zinc/57/07/47/343570747.db2.gz CDWCQCYIIHOCES-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)C[N@H+](C)CCOc1ccc(C)cc1 ZINC000048583937 343584214 /nfs/dbraw/zinc/58/42/14/343584214.db2.gz NNNXIRNJVFKPEM-UHFFFAOYSA-N 1 2 237.299 1.479 20 0 BDADLO COC(=O)C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000048583937 343584215 /nfs/dbraw/zinc/58/42/15/343584215.db2.gz NNNXIRNJVFKPEM-UHFFFAOYSA-N 1 2 237.299 1.479 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc2nc[nH]c21 ZINC000049236004 343594431 /nfs/dbraw/zinc/59/44/31/343594431.db2.gz AACKOEPDXUYTLB-QMMMGPOBSA-N 1 2 243.274 1.050 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc2[nH]cnc21 ZINC000049236004 343594432 /nfs/dbraw/zinc/59/44/32/343594432.db2.gz AACKOEPDXUYTLB-QMMMGPOBSA-N 1 2 243.274 1.050 20 0 BDADLO CC(C)CO[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000570225139 323053187 /nfs/dbraw/zinc/05/31/87/323053187.db2.gz LFDAKWVTRIVQSE-NXEZZACHSA-N 1 2 239.319 1.648 20 0 BDADLO CCc1ncc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493717370 529757782 /nfs/dbraw/zinc/75/77/82/529757782.db2.gz DQKNUZKPAMHJIZ-ARJAWSKDSA-N 1 2 243.270 1.414 20 0 BDADLO C[C@@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)[C@@H](C)O1 ZINC000384555070 343617126 /nfs/dbraw/zinc/61/71/26/343617126.db2.gz GUKWGMWNGRIZPK-FSDSQADBSA-N 1 2 242.710 1.690 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc(N)c2Cl)[C@@H](C)O1 ZINC000384555070 343617129 /nfs/dbraw/zinc/61/71/29/343617129.db2.gz GUKWGMWNGRIZPK-FSDSQADBSA-N 1 2 242.710 1.690 20 0 BDADLO CCC(CC)C[N@@H+]1CCOC[C@H]1c1ncno1 ZINC000625414834 343605463 /nfs/dbraw/zinc/60/54/63/343605463.db2.gz OHFPYQWAFKTJEW-NSHDSACASA-N 1 2 239.319 1.879 20 0 BDADLO CCC(CC)C[N@H+]1CCOC[C@H]1c1ncno1 ZINC000625414834 343605465 /nfs/dbraw/zinc/60/54/65/343605465.db2.gz OHFPYQWAFKTJEW-NSHDSACASA-N 1 2 239.319 1.879 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cncc(F)c1 ZINC000622745189 343606016 /nfs/dbraw/zinc/60/60/16/343606016.db2.gz BWOBDAXTGSZKMX-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cncc(F)c1 ZINC000622745189 343606017 /nfs/dbraw/zinc/60/60/17/343606017.db2.gz BWOBDAXTGSZKMX-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC1(C)C ZINC000620076351 343635415 /nfs/dbraw/zinc/63/54/15/343635415.db2.gz OSGXARDEGUBCFP-LBPRGKRZSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]1(C)CC1(C)C ZINC000620076351 343635416 /nfs/dbraw/zinc/63/54/16/343635416.db2.gz OSGXARDEGUBCFP-LBPRGKRZSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@](C)(F)C1 ZINC000335866265 344035822 /nfs/dbraw/zinc/03/58/22/344035822.db2.gz HUFHBXYXOUTNKK-GFCCVEGCSA-N 1 2 237.278 1.778 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C[C@@H](C)CC)C(=O)OC ZINC000576041490 343699138 /nfs/dbraw/zinc/69/91/38/343699138.db2.gz GRCZUMATSRQEEU-SDDRHHMPSA-N 1 2 245.363 1.979 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1cn[nH]c1 ZINC000602985781 349837175 /nfs/dbraw/zinc/83/71/75/349837175.db2.gz IIPYSHUUNWZUCN-UHFFFAOYSA-N 1 2 235.287 1.080 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1cn[nH]c1 ZINC000602985781 349837177 /nfs/dbraw/zinc/83/71/77/349837177.db2.gz IIPYSHUUNWZUCN-UHFFFAOYSA-N 1 2 235.287 1.080 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCS[C@@H]1C)C1CC1 ZINC000380176586 343686666 /nfs/dbraw/zinc/68/66/66/343686666.db2.gz KASLNEKXVLPFAA-FKTZTGRPSA-N 1 2 229.345 1.422 20 0 BDADLO c1nc2c([nH]1)C[N@H+](Cc1cc3n(n1)CCC3)CC2 ZINC000625434364 343734979 /nfs/dbraw/zinc/73/49/79/343734979.db2.gz PVZXIQUWQGFUKA-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO c1nc2c([nH]1)C[N@@H+](Cc1cc3n(n1)CCC3)CC2 ZINC000625434364 343734981 /nfs/dbraw/zinc/73/49/81/343734981.db2.gz PVZXIQUWQGFUKA-UHFFFAOYSA-N 1 2 243.314 1.111 20 0 BDADLO COc1ccncc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000576122981 343718704 /nfs/dbraw/zinc/71/87/04/343718704.db2.gz VRBQWNVGVUWRFT-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000624410485 343763772 /nfs/dbraw/zinc/76/37/72/343763772.db2.gz VTVDOJOZHUJJCI-ZWNOBZJWSA-N 1 2 236.315 1.545 20 0 BDADLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccccc2)CCO1 ZINC000030196531 343767179 /nfs/dbraw/zinc/76/71/79/343767179.db2.gz OSUWDAGCQBPMAP-LBPRGKRZSA-N 1 2 248.326 1.324 20 0 BDADLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccccc2)CCO1 ZINC000030196531 343767181 /nfs/dbraw/zinc/76/71/81/343767181.db2.gz OSUWDAGCQBPMAP-LBPRGKRZSA-N 1 2 248.326 1.324 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C(\C)Cl)C[C@H](C)O1 ZINC000528477537 262951744 /nfs/dbraw/zinc/95/17/44/262951744.db2.gz XEIIDHAYJQABFV-HSHPDBBSSA-N 1 2 233.739 1.865 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C(\C)Cl)C[C@H](C)O1 ZINC000528477537 262951747 /nfs/dbraw/zinc/95/17/47/262951747.db2.gz XEIIDHAYJQABFV-HSHPDBBSSA-N 1 2 233.739 1.865 20 0 BDADLO CCc1ccnc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000179935126 347003990 /nfs/dbraw/zinc/00/39/90/347003990.db2.gz SFVIPAFBNODJPL-UHFFFAOYSA-N 1 2 244.298 1.271 20 0 BDADLO CSc1cncc(NCc2c[nH+]cn2C)n1 ZINC000336720944 537831008 /nfs/dbraw/zinc/83/10/08/537831008.db2.gz ZKIXALWZGCEIRP-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370813 347008450 /nfs/dbraw/zinc/00/84/50/347008450.db2.gz NDRYSAHOJPUOHD-VHSXEESVSA-N 1 2 233.315 1.587 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370813 347008452 /nfs/dbraw/zinc/00/84/52/347008452.db2.gz NDRYSAHOJPUOHD-VHSXEESVSA-N 1 2 233.315 1.587 20 0 BDADLO Cn1cc(C[NH2+]Cc2nc3ccccc3o2)cn1 ZINC000624493635 343910860 /nfs/dbraw/zinc/91/08/60/343910860.db2.gz DWGZZOXCTPBUJS-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CCc1nc(C[N@@H+](CCO)[C@@H](C)CC)no1 ZINC000309279036 347014528 /nfs/dbraw/zinc/01/45/28/347014528.db2.gz HMJDPWHSMFAFLG-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCc1nc(C[N@H+](CCO)[C@@H](C)CC)no1 ZINC000309279036 347014531 /nfs/dbraw/zinc/01/45/31/347014531.db2.gz HMJDPWHSMFAFLG-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO C[C@@H]1CC[C@H](Cn2cc(Cn3cc[nH+]c3)nn2)O1 ZINC000641192086 362266835 /nfs/dbraw/zinc/26/68/35/362266835.db2.gz ZFUKHAWRUINSIX-ZYHUDNBSSA-N 1 2 247.302 1.090 20 0 BDADLO C[C@H]1CC[C@H](Cn2cc(Cn3cc[nH+]c3)nn2)O1 ZINC000641192083 362267213 /nfs/dbraw/zinc/26/72/13/362267213.db2.gz ZFUKHAWRUINSIX-CMPLNLGQSA-N 1 2 247.302 1.090 20 0 BDADLO Cn1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)n1 ZINC000335880798 344045798 /nfs/dbraw/zinc/04/57/98/344045798.db2.gz XZHUFEKNVKVXCG-CHWSQXEVSA-N 1 2 249.358 1.952 20 0 BDADLO Cn1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)n1 ZINC000335880798 344045801 /nfs/dbraw/zinc/04/58/01/344045801.db2.gz XZHUFEKNVKVXCG-CHWSQXEVSA-N 1 2 249.358 1.952 20 0 BDADLO CCc1ccsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651608 343953618 /nfs/dbraw/zinc/95/36/18/343953618.db2.gz PWRDGRDKPXUNMT-UHFFFAOYSA-N 1 2 235.312 1.964 20 0 BDADLO Cn1cc[nH+]c1CNc1cc(Cl)ncn1 ZINC000070855173 343956956 /nfs/dbraw/zinc/95/69/56/343956956.db2.gz FIJMEHZUSCSWOJ-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO Cc1ncc(CN2CCc3c([nH+]cn3C)C2)o1 ZINC000628117405 343966344 /nfs/dbraw/zinc/96/63/44/343966344.db2.gz HKNMRSOQIKRTFN-UHFFFAOYSA-N 1 2 232.287 1.275 20 0 BDADLO C[C@@H]1CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000641242477 362304667 /nfs/dbraw/zinc/30/46/67/362304667.db2.gz HZMGQOUYZNMQTE-SNVBAGLBSA-N 1 2 242.282 1.502 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](C[C@@H]1COCCO1)C2 ZINC000625727655 344058532 /nfs/dbraw/zinc/05/85/32/344058532.db2.gz GULKHTYPDQVOKU-CYBMUJFWSA-N 1 2 235.283 1.123 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](C[C@@H]1COCCO1)C2 ZINC000625727655 344058535 /nfs/dbraw/zinc/05/85/35/344058535.db2.gz GULKHTYPDQVOKU-CYBMUJFWSA-N 1 2 235.283 1.123 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H]1C)CC2 ZINC000641248564 362322889 /nfs/dbraw/zinc/32/28/89/362322889.db2.gz XUWWHUMWXGCNMV-QWRGUYRKSA-N 1 2 233.315 1.375 20 0 BDADLO CCc1cc(N[C@@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000127239470 344063513 /nfs/dbraw/zinc/06/35/13/344063513.db2.gz NNGARBSBALCNMA-UWVGGRQHSA-N 1 2 221.304 1.876 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC(F)(F)CC2)n1C ZINC000625767978 344068836 /nfs/dbraw/zinc/06/88/36/344068836.db2.gz DEBPUZRMZDQKAV-UHFFFAOYSA-N 1 2 244.289 1.745 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC(F)(F)CC2)n1C ZINC000625767978 344068839 /nfs/dbraw/zinc/06/88/39/344068839.db2.gz DEBPUZRMZDQKAV-UHFFFAOYSA-N 1 2 244.289 1.745 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@H](C)O)C1CCCCC1 ZINC000570683189 323067050 /nfs/dbraw/zinc/06/70/50/323067050.db2.gz JLEHPHVYOGYLJF-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cncs2)CCO1 ZINC000634734823 344114576 /nfs/dbraw/zinc/11/45/76/344114576.db2.gz PGTGAAYICBQKHM-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cncs2)CCO1 ZINC000634734823 344114577 /nfs/dbraw/zinc/11/45/77/344114577.db2.gz PGTGAAYICBQKHM-VIFPVBQESA-N 1 2 248.298 1.999 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/C1CC1 ZINC000079577197 344116795 /nfs/dbraw/zinc/11/67/95/344116795.db2.gz QHFUIGFNOUKGKU-YEZKRMTDSA-N 1 2 219.288 1.354 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCCCO2)c1 ZINC000641310609 362356944 /nfs/dbraw/zinc/35/69/44/362356944.db2.gz QBESQEPRJXDVTO-NSHDSACASA-N 1 2 222.288 1.555 20 0 BDADLO Clc1cnc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)s1 ZINC000634745705 344169239 /nfs/dbraw/zinc/16/92/39/344169239.db2.gz PTYVINIPWXNHDK-OCAPTIKFSA-N 1 2 244.747 1.875 20 0 BDADLO Clc1cnc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)s1 ZINC000634745705 344169241 /nfs/dbraw/zinc/16/92/41/344169241.db2.gz PTYVINIPWXNHDK-OCAPTIKFSA-N 1 2 244.747 1.875 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)C ZINC000573383840 344134888 /nfs/dbraw/zinc/13/48/88/344134888.db2.gz INGSDFQJECCXFZ-VIFPVBQESA-N 1 2 223.320 1.751 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)C ZINC000573383840 344134893 /nfs/dbraw/zinc/13/48/93/344134893.db2.gz INGSDFQJECCXFZ-VIFPVBQESA-N 1 2 223.320 1.751 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1nncn1C ZINC000195514042 344207592 /nfs/dbraw/zinc/20/75/92/344207592.db2.gz DAHRJQIGEFMRFY-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1nncn1C ZINC000195514042 344207594 /nfs/dbraw/zinc/20/75/94/344207594.db2.gz DAHRJQIGEFMRFY-JTQLQIEISA-N 1 2 231.303 1.193 20 0 BDADLO CC(C)OC(=O)CCNc1cc(C2CC2)[nH+]cn1 ZINC000603272343 349904860 /nfs/dbraw/zinc/90/48/60/349904860.db2.gz IIBQCYSFIJUMSD-UHFFFAOYSA-N 1 2 249.314 1.530 20 0 BDADLO OCc1cc[nH+]c(NCCc2nccs2)c1 ZINC000641323405 362363534 /nfs/dbraw/zinc/36/35/34/362363534.db2.gz LQKATNRZVSBEOS-UHFFFAOYSA-N 1 2 235.312 1.685 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641338927 362369209 /nfs/dbraw/zinc/36/92/09/362369209.db2.gz NIYBJOWZTCBWBJ-SECBINFHSA-N 1 2 246.314 1.789 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2O)c1 ZINC000641329946 362365021 /nfs/dbraw/zinc/36/50/21/362365021.db2.gz RJPFBHINDCEXHM-MNOVXSKESA-N 1 2 222.288 1.289 20 0 BDADLO O[C@@H](CNc1cc[nH+]cc1F)C1CCCCC1 ZINC000641340276 362370210 /nfs/dbraw/zinc/37/02/10/362370210.db2.gz WHWJZMOGIMQFPZ-ZDUSSCGKSA-N 1 2 238.306 1.996 20 0 BDADLO CC(=O)N1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000067715385 344284993 /nfs/dbraw/zinc/28/49/93/344284993.db2.gz QSSZAWNLPKBAEM-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO C/C=C\CNc1[nH+]cnc2c1cnn2C ZINC000385007281 344291104 /nfs/dbraw/zinc/29/11/04/344291104.db2.gz MVWIPRMKVARCTP-ARJAWSKDSA-N 1 2 203.249 1.351 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641374293 362381868 /nfs/dbraw/zinc/38/18/68/362381868.db2.gz UOMOEHDTOVKYRI-MWLCHTKSSA-N 1 2 224.304 1.393 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)C1CC1 ZINC000300018403 344365063 /nfs/dbraw/zinc/36/50/63/344365063.db2.gz GIBUTHVESZKGAT-QJPTWQEYSA-N 1 2 241.331 1.079 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccsc2)C1 ZINC000093888209 344323859 /nfs/dbraw/zinc/32/38/59/344323859.db2.gz PRLXOCQWASPXTO-NSHDSACASA-N 1 2 243.303 1.835 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccsc2)C1 ZINC000093888209 344323860 /nfs/dbraw/zinc/32/38/60/344323860.db2.gz PRLXOCQWASPXTO-NSHDSACASA-N 1 2 243.303 1.835 20 0 BDADLO Cc1occc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620592241 344325714 /nfs/dbraw/zinc/32/57/14/344325714.db2.gz KCYFNPMTAUYLLS-MRVPVSSYSA-N 1 2 233.271 1.813 20 0 BDADLO Cc1[nH]c2ccc(CSCCC(N)=O)cc2[nH+]1 ZINC000600606054 344339143 /nfs/dbraw/zinc/33/91/43/344339143.db2.gz NWZLTXIYBVGLPO-UHFFFAOYSA-N 1 2 249.339 1.980 20 0 BDADLO Cc1[nH]c2cc(CSCCC(N)=O)ccc2[nH+]1 ZINC000600606054 344339145 /nfs/dbraw/zinc/33/91/45/344339145.db2.gz NWZLTXIYBVGLPO-UHFFFAOYSA-N 1 2 249.339 1.980 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1cc[nH+]cc1F ZINC000641371176 362380047 /nfs/dbraw/zinc/38/00/47/362380047.db2.gz ARVZWHTUKORFTR-KCJUWKMLSA-N 1 2 212.268 1.462 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCSC1)c1[nH+]ccn1C ZINC000620602893 344353102 /nfs/dbraw/zinc/35/31/02/344353102.db2.gz FPOMKJBTKPVWHM-BDAKNGLRSA-N 1 2 239.344 1.350 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1[nH+]ccn1C ZINC000620606669 344357013 /nfs/dbraw/zinc/35/70/13/344357013.db2.gz YIHBWASZKFQYMI-UTLUCORTSA-N 1 2 237.303 1.022 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1OC ZINC000093050537 344307898 /nfs/dbraw/zinc/30/78/98/344307898.db2.gz CRUUHOWDSALRNO-GFCCVEGCSA-N 1 2 248.326 1.406 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1OC ZINC000093050537 344307900 /nfs/dbraw/zinc/30/79/00/344307900.db2.gz CRUUHOWDSALRNO-GFCCVEGCSA-N 1 2 248.326 1.406 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000569548047 344309363 /nfs/dbraw/zinc/30/93/63/344309363.db2.gz WDJPFTMCGIUIGA-WDEREUQCSA-N 1 2 248.330 1.501 20 0 BDADLO CC[C@@H](SC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378024 347050863 /nfs/dbraw/zinc/05/08/63/347050863.db2.gz CFDDHZOUFRHKMB-SNVBAGLBSA-N 1 2 239.344 1.436 20 0 BDADLO CC[C@@H](SC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378024 347050864 /nfs/dbraw/zinc/05/08/64/347050864.db2.gz CFDDHZOUFRHKMB-SNVBAGLBSA-N 1 2 239.344 1.436 20 0 BDADLO O[C@H]1CCC[C@H](CNc2cc[nH+]cc2F)C1 ZINC000641394645 362389749 /nfs/dbraw/zinc/38/97/49/362389749.db2.gz SOJDMNMHJCKKJG-UWVGGRQHSA-N 1 2 224.279 1.606 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1O)c1ccn(C)n1 ZINC000584299627 344437857 /nfs/dbraw/zinc/43/78/57/344437857.db2.gz PSARIIYFLYQBAG-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO CC[C@@H](C[C@@H](C)CO)Nc1cc[nH+]cc1F ZINC000641411518 362402437 /nfs/dbraw/zinc/40/24/37/362402437.db2.gz WMDYKQYPEYKXDX-ZJUUUORDSA-N 1 2 226.295 1.852 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cscn1 ZINC000043623318 344528224 /nfs/dbraw/zinc/52/82/24/344528224.db2.gz SCEBKDFSERKQIT-SECBINFHSA-N 1 2 242.344 1.917 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC000043623318 344528228 /nfs/dbraw/zinc/52/82/28/344528228.db2.gz SCEBKDFSERKQIT-SECBINFHSA-N 1 2 242.344 1.917 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]1C)CC2 ZINC000625915628 344563473 /nfs/dbraw/zinc/56/34/73/344563473.db2.gz VJGMWRFFDZXKAW-RYUDHWBXSA-N 1 2 247.342 1.765 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641441471 362421372 /nfs/dbraw/zinc/42/13/72/362421372.db2.gz LNNKPAPREQSKTC-SECBINFHSA-N 1 2 237.278 1.065 20 0 BDADLO C[C@@]1(CNc2cc[nH+]cc2F)CCCC[C@@H]1O ZINC000641445582 362423494 /nfs/dbraw/zinc/42/34/94/362423494.db2.gz VXMNVDCUTZAZGB-STQMWFEESA-N 1 2 238.306 1.996 20 0 BDADLO CC1(C)C[C@@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641459686 362433548 /nfs/dbraw/zinc/43/35/48/362433548.db2.gz ASWKCNRDCSVYBB-NSHDSACASA-N 1 2 236.315 1.943 20 0 BDADLO O[C@H]1CC[C@H](Nc2cc[nH+]cc2F)CC1 ZINC000641459576 362434027 /nfs/dbraw/zinc/43/40/27/362434027.db2.gz IAIYIDLBRLGEKO-KYZUINATSA-N 1 2 210.252 1.358 20 0 BDADLO CN(C[C@H]1CCC[C@H]1O)c1cc(CO)cc[nH+]1 ZINC000641461134 362435410 /nfs/dbraw/zinc/43/54/10/362435410.db2.gz GUYDXDDJZFQEIK-VXGBXAGGSA-N 1 2 236.315 1.171 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC=CCC2)n1 ZINC000684094621 488266287 /nfs/dbraw/zinc/26/62/87/488266287.db2.gz MWCXUKKOMFORQH-SNVBAGLBSA-N 1 2 219.288 1.814 20 0 BDADLO CN(C[C@@H](O)C1CC1)c1cc[nH+]cc1F ZINC000641423555 362408251 /nfs/dbraw/zinc/40/82/51/362408251.db2.gz UCJNSLYOSXQCED-LLVKDONJSA-N 1 2 210.252 1.428 20 0 BDADLO C[C@H](CO[C@@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641428117 362411586 /nfs/dbraw/zinc/41/15/86/362411586.db2.gz DHHIHHJIKGIUTR-NXEZZACHSA-N 1 2 240.278 1.249 20 0 BDADLO C[C@]1(CNc2cc(CO)cc[nH+]2)CCCO1 ZINC000641427659 362412099 /nfs/dbraw/zinc/41/20/99/362412099.db2.gz AWUDDXVFCIYBBR-GFCCVEGCSA-N 1 2 222.288 1.555 20 0 BDADLO C[C@@H](CCCO)Nc1cc(CO)cc[nH+]1 ZINC000641429967 362413874 /nfs/dbraw/zinc/41/38/74/362413874.db2.gz AKTTUCPXMSTZNB-VIFPVBQESA-N 1 2 210.277 1.147 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCCSC2)c1 ZINC000641436476 362417430 /nfs/dbraw/zinc/41/74/30/362417430.db2.gz BBWDQLKEPWQNMS-SNVBAGLBSA-N 1 2 224.329 1.881 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000684107487 488267511 /nfs/dbraw/zinc/26/75/11/488267511.db2.gz IKWRGQZPIXHTEL-QMMMGPOBSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](O)C(C)(C)C2)s1 ZINC000684107487 488267514 /nfs/dbraw/zinc/26/75/14/488267514.db2.gz IKWRGQZPIXHTEL-QMMMGPOBSA-N 1 2 241.360 1.303 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641538735 362491479 /nfs/dbraw/zinc/49/14/79/362491479.db2.gz AVXCOTJTMPFBSB-IUCAKERBSA-N 1 2 210.277 1.409 20 0 BDADLO Cc1nn(C)cc1CNc1cc(CO)cc[nH+]1 ZINC000641486957 362454096 /nfs/dbraw/zinc/45/40/96/362454096.db2.gz DWSRCNFUGRPNNA-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO OCC[C@H](Nc1cc(CO)cc[nH+]1)c1ccco1 ZINC000641497841 362461730 /nfs/dbraw/zinc/46/17/30/362461730.db2.gz VYZRICZCFMRFKG-NSHDSACASA-N 1 2 248.282 1.703 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641504152 362466634 /nfs/dbraw/zinc/46/66/34/362466634.db2.gz WIURGFCOBSAVLF-VHSXEESVSA-N 1 2 222.288 1.145 20 0 BDADLO CSCCCNc1cc[nH+]cc1F ZINC000603295305 349914604 /nfs/dbraw/zinc/91/46/04/349914604.db2.gz VWEXRMZUSSVVNE-UHFFFAOYSA-N 1 2 200.282 1.808 20 0 BDADLO CCOCCOCCN(C)c1cc[nH+]cc1F ZINC000641525777 362482040 /nfs/dbraw/zinc/48/20/40/362482040.db2.gz BFHZAWYVQXJOFH-UHFFFAOYSA-N 1 2 242.294 1.710 20 0 BDADLO Cc1cccc(CCNc2cc(CO)cc[nH+]2)n1 ZINC000641546510 362493761 /nfs/dbraw/zinc/49/37/61/362493761.db2.gz WEYGAYGXLFJULJ-UHFFFAOYSA-N 1 2 243.310 1.932 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641536729 362486532 /nfs/dbraw/zinc/48/65/32/362486532.db2.gz GRUDDKKTZCSLKV-MWLCHTKSSA-N 1 2 222.288 1.411 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1CCCC1 ZINC000290484031 537851780 /nfs/dbraw/zinc/85/17/80/537851780.db2.gz BSZHSRVJOBQSOE-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO COC(=O)C[C@@H](C)Nc1nc[nH+]c2c1CCC2 ZINC000259436560 344650524 /nfs/dbraw/zinc/65/05/24/344650524.db2.gz OKQLIOIXCGWEIT-MRVPVSSYSA-N 1 2 235.287 1.329 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000626002436 344663134 /nfs/dbraw/zinc/66/31/34/344663134.db2.gz NFPPGUHCQYHJIV-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000626002436 344663136 /nfs/dbraw/zinc/66/31/36/344663136.db2.gz NFPPGUHCQYHJIV-LBPRGKRZSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000626002435 344663348 /nfs/dbraw/zinc/66/33/48/344663348.db2.gz NFPPGUHCQYHJIV-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000626002435 344663350 /nfs/dbraw/zinc/66/33/50/344663350.db2.gz NFPPGUHCQYHJIV-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000626007277 344665503 /nfs/dbraw/zinc/66/55/03/344665503.db2.gz ZZHDPIPXCLSZKI-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](CCF)C2)cn1 ZINC000626007277 344665505 /nfs/dbraw/zinc/66/55/05/344665505.db2.gz ZZHDPIPXCLSZKI-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005194 344667611 /nfs/dbraw/zinc/66/76/11/344667611.db2.gz XQYUAAULNLJJPG-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1ccncc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005194 344667613 /nfs/dbraw/zinc/66/76/13/344667613.db2.gz XQYUAAULNLJJPG-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025193 344676533 /nfs/dbraw/zinc/67/65/33/344676533.db2.gz MMOPKEQGDRMVLJ-UHFFFAOYSA-N 1 2 248.326 1.275 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626025193 344676536 /nfs/dbraw/zinc/67/65/36/344676536.db2.gz MMOPKEQGDRMVLJ-UHFFFAOYSA-N 1 2 248.326 1.275 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OC1CCOCC1 ZINC000497069915 530016218 /nfs/dbraw/zinc/01/62/18/530016218.db2.gz GIDHYYBJIOGMHV-UHFFFAOYSA-N 1 2 239.275 1.157 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OC1CCOCC1 ZINC000497069915 530016220 /nfs/dbraw/zinc/01/62/20/530016220.db2.gz GIDHYYBJIOGMHV-UHFFFAOYSA-N 1 2 239.275 1.157 20 0 BDADLO CCOC(=O)NOCc1cc(OC)cc(C)[nH+]1 ZINC000497184072 259379424 /nfs/dbraw/zinc/37/94/24/259379424.db2.gz MDNNTIIYZZYGIN-UHFFFAOYSA-N 1 2 240.259 1.576 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626044242 344695409 /nfs/dbraw/zinc/69/54/09/344695409.db2.gz WHKSYYAGFFZMFX-AOOOYVTPSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626044242 344695412 /nfs/dbraw/zinc/69/54/12/344695412.db2.gz WHKSYYAGFFZMFX-AOOOYVTPSA-N 1 2 239.319 1.396 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000049956421 344703872 /nfs/dbraw/zinc/70/38/72/344703872.db2.gz YBRZMADMFNPHLU-VIFPVBQESA-N 1 2 211.261 1.581 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000049956421 344703874 /nfs/dbraw/zinc/70/38/74/344703874.db2.gz YBRZMADMFNPHLU-VIFPVBQESA-N 1 2 211.261 1.581 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCS1 ZINC000075196602 344768710 /nfs/dbraw/zinc/76/87/10/344768710.db2.gz KPADUVBBHZHMKB-JTQLQIEISA-N 1 2 238.312 1.924 20 0 BDADLO CSC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000075364536 344774491 /nfs/dbraw/zinc/77/44/91/344774491.db2.gz DMYCLVBFYWTQBV-UHFFFAOYSA-N 1 2 241.360 1.531 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H](O)C2)cs1 ZINC000075616977 344781265 /nfs/dbraw/zinc/78/12/65/344781265.db2.gz XWKUEEPULQDWIG-JTQLQIEISA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H](O)C2)cs1 ZINC000075616977 344781266 /nfs/dbraw/zinc/78/12/66/344781266.db2.gz XWKUEEPULQDWIG-JTQLQIEISA-N 1 2 242.344 1.246 20 0 BDADLO CSCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557041 344779182 /nfs/dbraw/zinc/77/91/82/344779182.db2.gz YUICLQOVYJPMEB-VIFPVBQESA-N 1 2 239.344 1.479 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccccc1 ZINC000075637015 344782450 /nfs/dbraw/zinc/78/24/50/344782450.db2.gz GGXMPOYKPXEVFA-GFCCVEGCSA-N 1 2 248.326 1.276 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccccc1 ZINC000075637015 344782451 /nfs/dbraw/zinc/78/24/51/344782451.db2.gz GGXMPOYKPXEVFA-GFCCVEGCSA-N 1 2 248.326 1.276 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000075782035 344791658 /nfs/dbraw/zinc/79/16/58/344791658.db2.gz ZZKAXHVEUXBLGP-BDAKNGLRSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075782035 344791660 /nfs/dbraw/zinc/79/16/60/344791660.db2.gz ZZKAXHVEUXBLGP-BDAKNGLRSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1nc(C[NH+]2C[C@H](C)[C@@H](C)C2)no1 ZINC000076111088 344795093 /nfs/dbraw/zinc/79/50/93/344795093.db2.gz UKUYTPPFILENOK-IUCAKERBSA-N 1 2 209.293 1.720 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cc[nH+]c(C)n1 ZINC000078253495 344837582 /nfs/dbraw/zinc/83/75/82/344837582.db2.gz GGDRZYKLAHIUSV-WCBMZHEXSA-N 1 2 209.293 1.604 20 0 BDADLO CC[C@H]1COCCN1Cc1[nH]cc(C)[nH+]1 ZINC000628146607 344825618 /nfs/dbraw/zinc/82/56/18/344825618.db2.gz UDLLBZFGIGYIRD-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnccn2)o1 ZINC000628156111 344847996 /nfs/dbraw/zinc/84/79/96/344847996.db2.gz BKARVSQWHQWAQZ-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnccn2)o1 ZINC000628156111 344847997 /nfs/dbraw/zinc/84/79/97/344847997.db2.gz BKARVSQWHQWAQZ-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO Cc1ncc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)o1 ZINC000628159422 344855018 /nfs/dbraw/zinc/85/50/18/344855018.db2.gz QFEAONJNDDIFOD-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1ncc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)o1 ZINC000628159422 344855020 /nfs/dbraw/zinc/85/50/20/344855020.db2.gz QFEAONJNDDIFOD-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nc(NC[C@@H](C)C[C@H](C)O)cc[nH+]1 ZINC000078299029 344842635 /nfs/dbraw/zinc/84/26/35/344842635.db2.gz VYMIASXPACKEMN-IUCAKERBSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000628153170 344843266 /nfs/dbraw/zinc/84/32/66/344843266.db2.gz DBYFXSSRBXLILS-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000628153170 344843268 /nfs/dbraw/zinc/84/32/68/344843268.db2.gz DBYFXSSRBXLILS-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C ZINC000583389093 344874534 /nfs/dbraw/zinc/87/45/34/344874534.db2.gz ALMQQYXJWRYCJP-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C ZINC000583389093 344874536 /nfs/dbraw/zinc/87/45/36/344874536.db2.gz ALMQQYXJWRYCJP-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1nc(C[N@H+](CCCO)C2CC2)[nH]c1C ZINC000628173954 344894500 /nfs/dbraw/zinc/89/45/00/344894500.db2.gz RCEUABGICNFWND-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1nc(C[N@@H+](CCCO)C2CC2)[nH]c1C ZINC000628173954 344894502 /nfs/dbraw/zinc/89/45/02/344894502.db2.gz RCEUABGICNFWND-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]c(CN(CCCO)C2CC2)[nH+]c1C ZINC000628173954 344894506 /nfs/dbraw/zinc/89/45/06/344894506.db2.gz RCEUABGICNFWND-UHFFFAOYSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1c[nH]c(CN2CCOC3(CCCC3)C2)[nH+]1 ZINC000628182191 344926293 /nfs/dbraw/zinc/92/62/93/344926293.db2.gz IBVJYDQWHIEUSC-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@]1(C)CCCS1 ZINC000628179692 344915516 /nfs/dbraw/zinc/91/55/16/344915516.db2.gz KYWDBQHQQKZTAJ-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@]1(C)CCCS1 ZINC000628179692 344915517 /nfs/dbraw/zinc/91/55/17/344915517.db2.gz KYWDBQHQQKZTAJ-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cn1 ZINC000153710460 344957382 /nfs/dbraw/zinc/95/73/82/344957382.db2.gz UMHFXRWIKMFFMG-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cn1 ZINC000153710460 344957384 /nfs/dbraw/zinc/95/73/84/344957384.db2.gz UMHFXRWIKMFFMG-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ncc(C[NH2+]CC(C)(C)N(C)C)o1 ZINC000628199680 344967681 /nfs/dbraw/zinc/96/76/81/344967681.db2.gz DBZOCZLZIFJQFF-UHFFFAOYSA-N 1 2 211.309 1.413 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H](C(F)F)C2)c1 ZINC000641554256 362498810 /nfs/dbraw/zinc/49/88/10/362498810.db2.gz TYEOJRYTFFSPFM-VIFPVBQESA-N 1 2 228.242 1.665 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CCO1 ZINC000248118080 345045773 /nfs/dbraw/zinc/04/57/73/345045773.db2.gz TXTLDOFZPLKKFI-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)CCO1 ZINC000248118080 345045774 /nfs/dbraw/zinc/04/57/74/345045774.db2.gz TXTLDOFZPLKKFI-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@](CO)(Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000154293947 345024118 /nfs/dbraw/zinc/02/41/18/345024118.db2.gz BCMNXZMTDIHYQT-ZDUSSCGKSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@H](CCCCO)Nc1cc[nH+]cc1F ZINC000641617027 362549434 /nfs/dbraw/zinc/54/94/34/362549434.db2.gz YDEZXTNURQIGBE-SECBINFHSA-N 1 2 212.268 1.606 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCC1(F)F ZINC000673377110 488282159 /nfs/dbraw/zinc/28/21/59/488282159.db2.gz BVPYCVPLRCJFDR-VIFPVBQESA-N 1 2 243.257 1.577 20 0 BDADLO C[C@@H]1CSC[C@H]1Nc1cc[nH+]cc1F ZINC000641592831 362534297 /nfs/dbraw/zinc/53/42/97/362534297.db2.gz PQTQVCKFOSXSLN-GMSGAONNSA-N 1 2 212.293 1.806 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(c1cc(C3CC3)ncn1)C2 ZINC000641602712 362540285 /nfs/dbraw/zinc/54/02/85/362540285.db2.gz TTWMSNBOQPVXTH-UHFFFAOYSA-N 1 2 241.298 1.640 20 0 BDADLO Cc1nc(C)c(CNc2cc[nH+]cc2F)o1 ZINC000641599964 362540383 /nfs/dbraw/zinc/54/03/83/362540383.db2.gz OSHVCNLGQPXFLM-UHFFFAOYSA-N 1 2 221.235 1.860 20 0 BDADLO C[C@@H]1C[C@H](CO)CN(c2cc[nH+]cc2F)C1 ZINC000641639554 362567489 /nfs/dbraw/zinc/56/74/89/362567489.db2.gz IWCAOJGUAOQEPB-ZJUUUORDSA-N 1 2 224.279 1.675 20 0 BDADLO CC[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641640364 362569974 /nfs/dbraw/zinc/56/99/74/362569974.db2.gz OBOXWEWMNWGGTL-VXGBXAGGSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000080208995 345120076 /nfs/dbraw/zinc/12/00/76/345120076.db2.gz HJLUNRIDOFALOI-YFKPBYRVSA-N 1 2 221.182 1.224 20 0 BDADLO Cc1nsc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000641649397 362576488 /nfs/dbraw/zinc/57/64/88/362576488.db2.gz ZFBQCAQAUQTRQJ-BDAKNGLRSA-N 1 2 240.376 1.409 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC(C)(C)C(F)F ZINC000684263914 488283163 /nfs/dbraw/zinc/28/31/63/488283163.db2.gz KNJWMGWAQQWEFT-UHFFFAOYSA-N 1 2 246.261 1.263 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)c1cc(C2CC2)ncn1 ZINC000641656313 362580197 /nfs/dbraw/zinc/58/01/97/362580197.db2.gz DLTFNDICVBMCGH-UHFFFAOYSA-N 1 2 229.287 1.714 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)c1cc(C2CC2)ncn1 ZINC000641656313 362580202 /nfs/dbraw/zinc/58/02/02/362580202.db2.gz DLTFNDICVBMCGH-UHFFFAOYSA-N 1 2 229.287 1.714 20 0 BDADLO CCc1ncc(CNc2cc(CO)cc[nH+]2)o1 ZINC000641628246 362557666 /nfs/dbraw/zinc/55/76/66/362557666.db2.gz CJOTUEPDJMRNGG-UHFFFAOYSA-N 1 2 233.271 1.736 20 0 BDADLO O=C(Nc1ccncc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155874197 345109889 /nfs/dbraw/zinc/10/98/89/345109889.db2.gz QOTQGZWLKHHXST-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO CCc1ncc(CNc2cc[nH+]cc2F)o1 ZINC000641628599 362559299 /nfs/dbraw/zinc/55/92/99/362559299.db2.gz DULZJDPJCDJGQG-UHFFFAOYSA-N 1 2 221.235 1.805 20 0 BDADLO FC[C@@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000641631581 362562998 /nfs/dbraw/zinc/56/29/98/362562998.db2.gz GLVJQLPGBJBCEE-MRVPVSSYSA-N 1 2 214.215 1.395 20 0 BDADLO CN(C)C(=O)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641633897 362563890 /nfs/dbraw/zinc/56/38/90/362563890.db2.gz ZMRRHPBHPLJABG-SECBINFHSA-N 1 2 237.278 1.135 20 0 BDADLO C[C@H]1[C@@H](CO)CCCN1c1cc(CO)cc[nH+]1 ZINC000641638793 362566578 /nfs/dbraw/zinc/56/65/78/362566578.db2.gz SWHSSXAIXUOWFY-CMPLNLGQSA-N 1 2 236.315 1.171 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@@H]2CCNC(=O)CC2)c1 ZINC000634988320 345171107 /nfs/dbraw/zinc/17/11/07/345171107.db2.gz SLHDIBZZBAUZTP-JTQLQIEISA-N 1 2 248.330 1.228 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@H]2CCNC(=O)CC2)c1 ZINC000634988321 345171200 /nfs/dbraw/zinc/17/12/00/345171200.db2.gz SLHDIBZZBAUZTP-SNVBAGLBSA-N 1 2 248.330 1.228 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000080435503 345174577 /nfs/dbraw/zinc/17/45/77/345174577.db2.gz FRLDDPCYGRXVAG-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000080435503 345174578 /nfs/dbraw/zinc/17/45/78/345174578.db2.gz FRLDDPCYGRXVAG-GRYCIOLGSA-N 1 2 240.347 1.107 20 0 BDADLO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccon1 ZINC000634967015 345139182 /nfs/dbraw/zinc/13/91/82/345139182.db2.gz DFEHFIZUKNVUDP-STQMWFEESA-N 1 2 230.267 1.423 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCO[C@H](C)C2)c(C)c[nH+]1 ZINC000561612933 345153766 /nfs/dbraw/zinc/15/37/66/345153766.db2.gz RWNWLTMRCDWWRJ-VXGBXAGGSA-N 1 2 248.326 1.874 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000635057714 345231639 /nfs/dbraw/zinc/23/16/39/345231639.db2.gz DJAQTUWLQIURAO-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000635057714 345231641 /nfs/dbraw/zinc/23/16/41/345231641.db2.gz DJAQTUWLQIURAO-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO CCCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635076556 345240767 /nfs/dbraw/zinc/24/07/67/345240767.db2.gz WEQNSVZELWTAKV-QMMMGPOBSA-N 1 2 249.236 1.903 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635085440 345243530 /nfs/dbraw/zinc/24/35/30/345243530.db2.gz AKVNRNMAWNICKM-NXEZZACHSA-N 1 2 221.304 1.818 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635085440 345243531 /nfs/dbraw/zinc/24/35/31/345243531.db2.gz AKVNRNMAWNICKM-NXEZZACHSA-N 1 2 221.304 1.818 20 0 BDADLO CC(C)C[C@@H](C(=O)NCC1CC1)n1cc[nH+]c1 ZINC000635194257 345269216 /nfs/dbraw/zinc/26/92/16/345269216.db2.gz OGAMJMSJEUODKK-LBPRGKRZSA-N 1 2 235.331 1.997 20 0 BDADLO CCCCN(C)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635200727 345271668 /nfs/dbraw/zinc/27/16/68/345271668.db2.gz WSJULWGTMINDGE-UHFFFAOYSA-N 1 2 223.320 1.773 20 0 BDADLO CN(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635205210 345271816 /nfs/dbraw/zinc/27/18/16/345271816.db2.gz DFXWQIBDEZWCMV-SSDOTTSWSA-N 1 2 235.209 1.465 20 0 BDADLO CCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635246623 345283067 /nfs/dbraw/zinc/28/30/67/345283067.db2.gz AHRMYYFNTBWKFW-UHFFFAOYSA-N 1 2 217.272 1.735 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635268158 345291061 /nfs/dbraw/zinc/29/10/61/345291061.db2.gz ZTZGSAXGXQOOQX-NXEZZACHSA-N 1 2 219.288 1.430 20 0 BDADLO O=C(NCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635268158 345291063 /nfs/dbraw/zinc/29/10/63/345291063.db2.gz ZTZGSAXGXQOOQX-NXEZZACHSA-N 1 2 219.288 1.430 20 0 BDADLO CCOCC[N@H+](CC)Cc1nnc(CC)[nH]1 ZINC000158475106 345337537 /nfs/dbraw/zinc/33/75/37/345337537.db2.gz JSUGGTVNOLETBU-UHFFFAOYSA-N 1 2 226.324 1.226 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nnc(CC)[nH]1 ZINC000158475106 345337539 /nfs/dbraw/zinc/33/75/39/345337539.db2.gz JSUGGTVNOLETBU-UHFFFAOYSA-N 1 2 226.324 1.226 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@H](O)C2)c1C(F)(F)F ZINC000151408366 345340781 /nfs/dbraw/zinc/34/07/81/345340781.db2.gz JWRPMFYXYGBTDR-QMMMGPOBSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@H](O)C2)c1C(F)(F)F ZINC000151408366 345340782 /nfs/dbraw/zinc/34/07/82/345340782.db2.gz JWRPMFYXYGBTDR-QMMMGPOBSA-N 1 2 249.236 1.006 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccoc2C)[nH+]1 ZINC000635408623 345352041 /nfs/dbraw/zinc/35/20/41/345352041.db2.gz CBEYZRLBQQPIBX-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO C[C@H](C(=O)Nc1ccc2nc[nH]c2c1)[NH+](C)C ZINC000635440817 345370916 /nfs/dbraw/zinc/37/09/16/345370916.db2.gz ZNHGNOSDWUJBEH-MRVPVSSYSA-N 1 2 232.287 1.452 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)CCOC)[nH+]1 ZINC000635464317 345381750 /nfs/dbraw/zinc/38/17/50/345381750.db2.gz FKBNXMDCLUXPHI-SECBINFHSA-N 1 2 239.319 1.056 20 0 BDADLO Cc1cn2cc(NC(=O)[C@H]3C[C@@H](O)C3)ccc2[nH+]1 ZINC000635469789 345385995 /nfs/dbraw/zinc/38/59/95/345385995.db2.gz QAPGAIVYLAPAQP-JGZJWPJOSA-N 1 2 245.282 1.352 20 0 BDADLO CC(C)C[C@@H](C(=O)Nc1nc[nH]n1)n1cc[nH+]c1 ZINC000635362402 345325434 /nfs/dbraw/zinc/32/54/34/345325434.db2.gz CGIZETWZIKWUTL-VIFPVBQESA-N 1 2 248.290 1.227 20 0 BDADLO CC[N@H+](Cc1cccs1)[C@@H]1CCOC1=O ZINC000132364202 345328292 /nfs/dbraw/zinc/32/82/92/345328292.db2.gz BURHDEYEGSHYDZ-SNVBAGLBSA-N 1 2 225.313 1.886 20 0 BDADLO CC[N@@H+](Cc1cccs1)[C@@H]1CCOC1=O ZINC000132364202 345328310 /nfs/dbraw/zinc/32/83/10/345328310.db2.gz BURHDEYEGSHYDZ-SNVBAGLBSA-N 1 2 225.313 1.886 20 0 BDADLO CCc1cc(N2CCCCN2)[nH+]c(C)n1 ZINC000400639463 345333325 /nfs/dbraw/zinc/33/33/25/345333325.db2.gz JEVGCSIENWWUQW-UHFFFAOYSA-N 1 2 206.293 1.452 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)c(C)c[nH+]1 ZINC000408474326 345333329 /nfs/dbraw/zinc/33/33/29/345333329.db2.gz QBUYMCICUGNSMN-NEPJUHHUSA-N 1 2 248.326 1.874 20 0 BDADLO CSCCC[N@H+](C)Cc1ncnn1C ZINC000080660244 345406870 /nfs/dbraw/zinc/40/68/70/345406870.db2.gz BVZRQSGQNVKWCX-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO CSCCC[N@@H+](C)Cc1ncnn1C ZINC000080660244 345406871 /nfs/dbraw/zinc/40/68/71/345406871.db2.gz BVZRQSGQNVKWCX-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO Cc1cc(NCCC(=O)NC(C)(C)C)nc[nH+]1 ZINC000134626475 345417479 /nfs/dbraw/zinc/41/74/79/345417479.db2.gz YFTKYKNZVDHHMX-UHFFFAOYSA-N 1 2 236.319 1.502 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccoc1 ZINC000381346045 345428322 /nfs/dbraw/zinc/42/83/22/345428322.db2.gz ZBULFWSAWJWXPF-BDAKNGLRSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635487925 345392462 /nfs/dbraw/zinc/39/24/62/345392462.db2.gz WBSGUSLWUSPVIG-FNCVBFRFSA-N 1 2 205.261 1.038 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635487925 345392465 /nfs/dbraw/zinc/39/24/65/345392465.db2.gz WBSGUSLWUSPVIG-FNCVBFRFSA-N 1 2 205.261 1.038 20 0 BDADLO OCc1cc[nH+]c(NCC[C@H]2CCCOC2)c1 ZINC000641676155 362596606 /nfs/dbraw/zinc/59/66/06/362596606.db2.gz LQDYJBPFMJGKIQ-LLVKDONJSA-N 1 2 236.315 1.224 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)cc1C ZINC000082260678 345498603 /nfs/dbraw/zinc/49/86/03/345498603.db2.gz QQBBYIJFXWOZTG-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)C1O ZINC000641660065 362586644 /nfs/dbraw/zinc/58/66/44/362586644.db2.gz VWLJNFOKVVNGAQ-RKDXNWHRSA-N 1 2 224.279 1.674 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@H]2CCOC2)[nH+]1 ZINC000081011332 345460744 /nfs/dbraw/zinc/46/07/44/345460744.db2.gz IUZPNLQTKRAVJC-SNVBAGLBSA-N 1 2 246.314 1.739 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000081255597 345466066 /nfs/dbraw/zinc/46/60/66/345466066.db2.gz ZBMZTCGWHPCLOD-NSHDSACASA-N 1 2 221.304 1.532 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1ccon1 ZINC000081365437 345471272 /nfs/dbraw/zinc/47/12/72/345471272.db2.gz IOMWFYKVFCOOLH-UHFFFAOYSA-N 1 2 217.228 1.559 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C12CC(C1)C2 ZINC000626128381 345564777 /nfs/dbraw/zinc/56/47/77/345564777.db2.gz VENMQSRKXDKUDT-UHFFFAOYSA-N 1 2 241.294 1.751 20 0 BDADLO Cc1ocnc1CNc1cc(C)[nH+]cn1 ZINC000092692058 345636363 /nfs/dbraw/zinc/63/63/63/345636363.db2.gz VZJFCPYUXNDQLY-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO CC1(C)CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000137274769 345596713 /nfs/dbraw/zinc/59/67/13/345596713.db2.gz FCKIQHRXMOWSQG-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CC[C@@H]1CCCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580805 345598286 /nfs/dbraw/zinc/59/82/86/345598286.db2.gz WLLMRBYPEWLWMG-SECBINFHSA-N 1 2 224.308 1.253 20 0 BDADLO CC[C@@H]1CCCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580805 345598287 /nfs/dbraw/zinc/59/82/87/345598287.db2.gz WLLMRBYPEWLWMG-SECBINFHSA-N 1 2 224.308 1.253 20 0 BDADLO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091623154 345601122 /nfs/dbraw/zinc/60/11/22/345601122.db2.gz FUSWSQRTAAOSFW-ZJUUUORDSA-N 1 2 238.335 1.499 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]cc2F)CC[S@]1=O ZINC000603358104 349932527 /nfs/dbraw/zinc/93/25/27/349932527.db2.gz JDTBCLGHTPPRIO-XXFAHNHDSA-N 1 2 242.319 1.568 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@H]2C)s1 ZINC000091800511 345611144 /nfs/dbraw/zinc/61/11/44/345611144.db2.gz AOPJEFUOJFRZOM-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@H]2C)s1 ZINC000091800511 345611146 /nfs/dbraw/zinc/61/11/46/345611146.db2.gz AOPJEFUOJFRZOM-SECBINFHSA-N 1 2 226.345 1.926 20 0 BDADLO Cc1ccc2c(c1)CCN2C(=O)Cn1cc[nH+]c1 ZINC000091103290 345587320 /nfs/dbraw/zinc/58/73/20/345587320.db2.gz KDKATUPAEXFJLJ-UHFFFAOYSA-N 1 2 241.294 1.781 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000093159587 345657593 /nfs/dbraw/zinc/65/75/93/345657593.db2.gz PVCQXPFTDLOZRD-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccn(C)c1 ZINC000093773049 345664753 /nfs/dbraw/zinc/66/47/53/345664753.db2.gz WLXCOUYTFUIFFW-NSHDSACASA-N 1 2 238.331 1.797 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccn(C)c1 ZINC000093773049 345664756 /nfs/dbraw/zinc/66/47/56/345664756.db2.gz WLXCOUYTFUIFFW-NSHDSACASA-N 1 2 238.331 1.797 20 0 BDADLO C[S@@](=O)C1(CNc2cc[nH+]cc2F)CCC1 ZINC000603366929 349933773 /nfs/dbraw/zinc/93/37/73/349933773.db2.gz OKIWETMZRQQDNB-MRXNPFEDSA-N 1 2 242.319 1.356 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CCCn3nccc32)c1 ZINC000641684160 362603204 /nfs/dbraw/zinc/60/32/04/362603204.db2.gz CCAFOUBNVRAJHU-NSHDSACASA-N 1 2 244.298 1.717 20 0 BDADLO CC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000138692745 345695233 /nfs/dbraw/zinc/69/52/33/345695233.db2.gz SWGDRIQCKYKGBZ-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO CC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000138692745 345695235 /nfs/dbraw/zinc/69/52/35/345695235.db2.gz SWGDRIQCKYKGBZ-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO C[C@@H](NCC(C)(F)F)c1[nH+]ccn1C ZINC000378861909 345690998 /nfs/dbraw/zinc/69/09/98/345690998.db2.gz RWTWYHXJTQFVRK-SSDOTTSWSA-N 1 2 203.236 1.726 20 0 BDADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccco1)C2 ZINC000139413666 345692292 /nfs/dbraw/zinc/69/22/92/345692292.db2.gz RQJXSGZZHCXRTC-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1ncc2c(n1)CC[N@H+](Cc1ccco1)C2 ZINC000139413666 345692293 /nfs/dbraw/zinc/69/22/93/345692293.db2.gz RQJXSGZZHCXRTC-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CC(C)(C)OC(=O)N1CCC[N@H+](CCF)CC1 ZINC000164671780 345738746 /nfs/dbraw/zinc/73/87/46/345738746.db2.gz DCHWOLDEHIXRAY-UHFFFAOYSA-N 1 2 246.326 1.899 20 0 BDADLO CC(C)(C)OC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000164671780 345738750 /nfs/dbraw/zinc/73/87/50/345738750.db2.gz DCHWOLDEHIXRAY-UHFFFAOYSA-N 1 2 246.326 1.899 20 0 BDADLO CCc1ccc(C[N@@H+]2CCOC[C@@H]2C)nc1 ZINC000223207044 345748670 /nfs/dbraw/zinc/74/86/70/345748670.db2.gz GXRZXDYBRAOKFT-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCOC[C@@H]2C)nc1 ZINC000223207044 345748673 /nfs/dbraw/zinc/74/86/73/345748673.db2.gz GXRZXDYBRAOKFT-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO COC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000261334002 345798294 /nfs/dbraw/zinc/79/82/94/345798294.db2.gz YHBIHFICDKGAFI-UHFFFAOYSA-N 1 2 207.220 1.281 20 0 BDADLO COC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000261334002 345798296 /nfs/dbraw/zinc/79/82/96/345798296.db2.gz YHBIHFICDKGAFI-UHFFFAOYSA-N 1 2 207.220 1.281 20 0 BDADLO C[C@@H](NC(=O)Cc1cccc(O)c1)c1[nH]cc[nH+]1 ZINC000139751900 345801956 /nfs/dbraw/zinc/80/19/56/345801956.db2.gz LAQQHJHUGZFELR-SECBINFHSA-N 1 2 245.282 1.535 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000061709169 345843741 /nfs/dbraw/zinc/84/37/41/345843741.db2.gz TXZRFUWRBOHJDY-VIFPVBQESA-N 1 2 212.318 1.272 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](O)C2)cs1 ZINC000061709169 345843744 /nfs/dbraw/zinc/84/37/44/345843744.db2.gz TXZRFUWRBOHJDY-VIFPVBQESA-N 1 2 212.318 1.272 20 0 BDADLO CC[C@@H](C)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000140815910 345858625 /nfs/dbraw/zinc/85/86/25/345858625.db2.gz JJVZKDIBUQMRJZ-MRVPVSSYSA-N 1 2 236.319 1.420 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2CCSC2)c1Cl ZINC000236393904 537914599 /nfs/dbraw/zinc/91/45/99/537914599.db2.gz MONJWKRZAUYNNZ-YFKPBYRVSA-N 1 2 230.724 1.630 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2CCSC2)c1Cl ZINC000236393904 537914604 /nfs/dbraw/zinc/91/46/04/537914604.db2.gz MONJWKRZAUYNNZ-YFKPBYRVSA-N 1 2 230.724 1.630 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@@H]2C)[nH+]1 ZINC000635628091 345902075 /nfs/dbraw/zinc/90/20/75/345902075.db2.gz GIJVDPQKHRJYKP-VIFPVBQESA-N 1 2 221.304 1.526 20 0 BDADLO Cn1nncc1C[NH2+]C(C)(C)c1nccs1 ZINC000227126124 323099373 /nfs/dbraw/zinc/09/93/73/323099373.db2.gz DTWXUPWRRDSNKM-UHFFFAOYSA-N 1 2 237.332 1.297 20 0 BDADLO CNc1cc(N2CCCC[C@H]2C)nc[nH+]1 ZINC000087805872 345941171 /nfs/dbraw/zinc/94/11/71/345941171.db2.gz OHJZABLUUPFJHV-SECBINFHSA-N 1 2 206.293 1.897 20 0 BDADLO CNc1cc(N2CCCC[C@H]2C)[nH+]cn1 ZINC000087805872 345941172 /nfs/dbraw/zinc/94/11/72/345941172.db2.gz OHJZABLUUPFJHV-SECBINFHSA-N 1 2 206.293 1.897 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635675497 345972478 /nfs/dbraw/zinc/97/24/78/345972478.db2.gz IFGZDUHWKFWSDX-UKKRHICBSA-N 1 2 233.315 1.913 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635675497 345972479 /nfs/dbraw/zinc/97/24/79/345972479.db2.gz IFGZDUHWKFWSDX-UKKRHICBSA-N 1 2 233.315 1.913 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OC ZINC000381474415 346023158 /nfs/dbraw/zinc/02/31/58/346023158.db2.gz QACPIPOEDBAPGN-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635731462 346043199 /nfs/dbraw/zinc/04/31/99/346043199.db2.gz RBGPGTBXJORLRG-GHMZBOCLSA-N 1 2 233.315 1.628 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635731462 346043202 /nfs/dbraw/zinc/04/32/02/346043202.db2.gz RBGPGTBXJORLRG-GHMZBOCLSA-N 1 2 233.315 1.628 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C(C)C)C2)[nH+]1 ZINC000635732501 346043582 /nfs/dbraw/zinc/04/35/82/346043582.db2.gz YDPYOJCWCLPVHE-UHFFFAOYSA-N 1 2 235.331 1.629 20 0 BDADLO CC(C)[C@](C)(O)CNc1[nH+]cnc2c1cnn2C ZINC000171987503 346070282 /nfs/dbraw/zinc/07/02/82/346070282.db2.gz GPXNXPKRMFTHQU-GFCCVEGCSA-N 1 2 249.318 1.182 20 0 BDADLO CC(C)=CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000191855990 346071594 /nfs/dbraw/zinc/07/15/94/346071594.db2.gz KQWDTEUCVLZNMT-NSHDSACASA-N 1 2 233.315 1.528 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)C(F)(F)F)C(C)C ZINC000381492573 346076838 /nfs/dbraw/zinc/07/68/38/346076838.db2.gz YSISBVZXYUJSKJ-JGVFFNPUSA-N 1 2 241.253 1.972 20 0 BDADLO CCOC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635822399 346077878 /nfs/dbraw/zinc/07/78/78/346077878.db2.gz WHRWBLGUMUTGJG-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO CCOC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635822399 346077880 /nfs/dbraw/zinc/07/78/80/346077880.db2.gz WHRWBLGUMUTGJG-IVZWLZJFSA-N 1 2 237.303 1.054 20 0 BDADLO CCc1nc(C[N@@H+]2CCS[C@@H](C)CC2)no1 ZINC000192186783 346080292 /nfs/dbraw/zinc/08/02/92/346080292.db2.gz GZCQVYZNHOPPDD-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nc(C[N@H+]2CCS[C@@H](C)CC2)no1 ZINC000192186783 346080294 /nfs/dbraw/zinc/08/02/94/346080294.db2.gz GZCQVYZNHOPPDD-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nc(C[N@@H+]2CCS[C@H](C)CC2)no1 ZINC000192186789 346080542 /nfs/dbraw/zinc/08/05/42/346080542.db2.gz GZCQVYZNHOPPDD-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nc(C[N@H+]2CCS[C@H](C)CC2)no1 ZINC000192186789 346080543 /nfs/dbraw/zinc/08/05/43/346080543.db2.gz GZCQVYZNHOPPDD-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(C)nc2)o1 ZINC000235895699 537940649 /nfs/dbraw/zinc/94/06/49/537940649.db2.gz ZHZRJQXPXSXHGW-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC23CCCC3)[nH+]1 ZINC000635855765 346091708 /nfs/dbraw/zinc/09/17/08/346091708.db2.gz RFBBIXWEOFKIQM-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO CC(C)C[C@@H](C(=O)NCCF)n1cc[nH+]c1 ZINC000635889532 346099648 /nfs/dbraw/zinc/09/96/48/346099648.db2.gz KZDWOYBTQPYOLO-JTQLQIEISA-N 1 2 227.283 1.556 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)C(F)(F)F)[nH+]1 ZINC000635932804 346113574 /nfs/dbraw/zinc/11/35/74/346113574.db2.gz MHEBHIRMNIEAFV-LURJTMIESA-N 1 2 249.236 1.582 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635926442 346117272 /nfs/dbraw/zinc/11/72/72/346117272.db2.gz SSDHIPSCUXUJGX-ZYUZMQFOSA-N 1 2 219.288 1.428 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635926442 346117273 /nfs/dbraw/zinc/11/72/73/346117273.db2.gz SSDHIPSCUXUJGX-ZYUZMQFOSA-N 1 2 219.288 1.428 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H](CC)OC)[nH+]1 ZINC000635946504 346119432 /nfs/dbraw/zinc/11/94/32/346119432.db2.gz RSNIHJBFQBKZPL-SNVBAGLBSA-N 1 2 239.319 1.056 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC(C2CC2)C1 ZINC000635967067 346126625 /nfs/dbraw/zinc/12/66/25/346126625.db2.gz WVLQLMKTJFYBQX-GHMZBOCLSA-N 1 2 231.299 1.382 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC(C2CC2)C1 ZINC000635967067 346126626 /nfs/dbraw/zinc/12/66/26/346126626.db2.gz WVLQLMKTJFYBQX-GHMZBOCLSA-N 1 2 231.299 1.382 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1[nH]cnc1C ZINC000635982685 346136017 /nfs/dbraw/zinc/13/60/17/346136017.db2.gz GBOCDYHNRCUSOI-SECBINFHSA-N 1 2 247.302 1.426 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](F)C1 ZINC000635982487 346136142 /nfs/dbraw/zinc/13/61/42/346136142.db2.gz FEHHBLPQSZPIAT-DJLDLDEBSA-N 1 2 223.251 1.084 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](F)C1 ZINC000635982487 346136144 /nfs/dbraw/zinc/13/61/44/346136144.db2.gz FEHHBLPQSZPIAT-DJLDLDEBSA-N 1 2 223.251 1.084 20 0 BDADLO Cc1ccc2[nH+]cc(CNc3ncnn3C)n2c1 ZINC000162146006 178982612 /nfs/dbraw/zinc/98/26/12/178982612.db2.gz LMEOPYQWLHSOBH-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H]2C2CC2)[nH+]1 ZINC000635980010 346145562 /nfs/dbraw/zinc/14/55/62/346145562.db2.gz HZBFLFSQLGIJMR-LLVKDONJSA-N 1 2 233.315 1.526 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2cnc(C)o2)[nH+]1 ZINC000636018496 346158145 /nfs/dbraw/zinc/15/81/45/346158145.db2.gz MTLQKQMBRACQHL-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CSCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000563282407 323108260 /nfs/dbraw/zinc/10/82/60/323108260.db2.gz HCPRNKSDRDWPBH-UHFFFAOYSA-N 1 2 241.360 1.823 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)o1 ZINC000628244747 346209495 /nfs/dbraw/zinc/20/94/95/346209495.db2.gz UNAMPFYKZXEUDD-AEJSXWLSSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)o1 ZINC000628244747 346209498 /nfs/dbraw/zinc/20/94/98/346209498.db2.gz UNAMPFYKZXEUDD-AEJSXWLSSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)o1 ZINC000628228045 346180662 /nfs/dbraw/zinc/18/06/62/346180662.db2.gz BANBJXMRVFXORH-SNVBAGLBSA-N 1 2 232.287 1.353 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCc3cn[nH]c3C2)o1 ZINC000628228044 346180694 /nfs/dbraw/zinc/18/06/94/346180694.db2.gz BANBJXMRVFXORH-JTQLQIEISA-N 1 2 232.287 1.353 20 0 BDADLO Cc1[nH]c(CN2CCC(F)(F)C2)[nH+]c1C ZINC000628232472 346185297 /nfs/dbraw/zinc/18/52/97/346185297.db2.gz ZLOOSFPPAASMJC-UHFFFAOYSA-N 1 2 215.247 1.868 20 0 BDADLO Cc1ncc(CN(C)Cc2[nH+]ccn2C)o1 ZINC000628234622 346187935 /nfs/dbraw/zinc/18/79/35/346187935.db2.gz HKJMJBUXVFSSAQ-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1[nH]c(CNc2cnoc2C)[nH+]c1C ZINC000628236979 346191980 /nfs/dbraw/zinc/19/19/80/346191980.db2.gz XGUMHKLKAATQRO-UHFFFAOYSA-N 1 2 206.249 1.935 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(C(F)(F)F)CC1 ZINC000673666679 488302070 /nfs/dbraw/zinc/30/20/70/488302070.db2.gz YKXBLIHPFWODMT-UHFFFAOYSA-N 1 2 247.220 1.411 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2nccc(C)n2)c[nH+]1 ZINC000636042739 346223431 /nfs/dbraw/zinc/22/34/31/346223431.db2.gz UZHXQAQBNDFYDO-MRVPVSSYSA-N 1 2 245.286 1.308 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)O[C@@H](C3CC3)C2)[nH+]1 ZINC000628255528 346249361 /nfs/dbraw/zinc/24/93/61/346249361.db2.gz PYFAKWITRYJXGZ-CMPLNLGQSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(C3CC3)o2)n(C)n1 ZINC000628265037 346266164 /nfs/dbraw/zinc/26/61/64/346266164.db2.gz NHCNSQWFJRJDIX-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000631156335 346279110 /nfs/dbraw/zinc/27/91/10/346279110.db2.gz LPSKFGGCSMNALD-OPRDCNLKSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628280784 346292428 /nfs/dbraw/zinc/29/24/28/346292428.db2.gz HQOCZMZTKKXILM-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628280784 346292429 /nfs/dbraw/zinc/29/24/29/346292429.db2.gz HQOCZMZTKKXILM-VIFPVBQESA-N 1 2 249.314 1.262 20 0 BDADLO Cc1[nH]c(CN2CCOCC(F)(F)C2)[nH+]c1C ZINC000628283060 346295398 /nfs/dbraw/zinc/29/53/98/346295398.db2.gz DGLWNPDTBOWLDP-UHFFFAOYSA-N 1 2 245.273 1.494 20 0 BDADLO COC(=O)c1cc(C[NH2+][C@H](C)C(F)F)cn1C ZINC000603429161 349951187 /nfs/dbraw/zinc/95/11/87/349951187.db2.gz MKJLBWFDTUNQDA-SSDOTTSWSA-N 1 2 246.257 1.555 20 0 BDADLO OCc1cc[nH+]c(NCc2cc3n(n2)CCC3)c1 ZINC000641762064 362684812 /nfs/dbraw/zinc/68/48/12/362684812.db2.gz CPICPXHXBKMAGB-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2(C3CCC3)CC2)[nH+]1 ZINC000636123859 346325682 /nfs/dbraw/zinc/32/56/82/346325682.db2.gz REQNVVSWSDOOSN-UHFFFAOYSA-N 1 2 247.342 1.964 20 0 BDADLO Cc1cccc(CC(=O)NCc2[nH+]ccn2C)c1 ZINC000078488499 179052171 /nfs/dbraw/zinc/05/21/71/179052171.db2.gz RKKJECCZMKHAFY-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636228586 346361604 /nfs/dbraw/zinc/36/16/04/346361604.db2.gz PNOMUBJAAGMISQ-JRKPZEMJSA-N 1 2 233.315 1.818 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636228586 346361609 /nfs/dbraw/zinc/36/16/09/346361609.db2.gz PNOMUBJAAGMISQ-JRKPZEMJSA-N 1 2 233.315 1.818 20 0 BDADLO COC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636278862 346376131 /nfs/dbraw/zinc/37/61/31/346376131.db2.gz APURFJAHYSJLNM-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO COC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636278862 346376135 /nfs/dbraw/zinc/37/61/35/346376135.db2.gz APURFJAHYSJLNM-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000641790601 362724949 /nfs/dbraw/zinc/72/49/49/362724949.db2.gz MJGQYOGAOLVCFY-BDAKNGLRSA-N 1 2 236.306 1.877 20 0 BDADLO CO[C@H]1CN(c2nc(C)[nH+]cc2C)CC[C@@H]1C ZINC000574927822 346416630 /nfs/dbraw/zinc/41/66/30/346416630.db2.gz YFIGYGBBMVLYFF-CABZTGNLSA-N 1 2 235.331 1.955 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)C(F)F ZINC000641792486 362727581 /nfs/dbraw/zinc/72/75/81/362727581.db2.gz WIMRGYGSKSSQRQ-YUMQZZPRSA-N 1 2 215.247 1.961 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000603412649 349961596 /nfs/dbraw/zinc/96/15/96/349961596.db2.gz JQMTUTYORIKSIT-SECBINFHSA-N 1 2 215.247 1.613 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000603412649 349961598 /nfs/dbraw/zinc/96/15/98/349961598.db2.gz JQMTUTYORIKSIT-SECBINFHSA-N 1 2 215.247 1.613 20 0 BDADLO Cc1cccc(C[NH2+]Cc2ncn(C)n2)c1C ZINC000092851379 179096197 /nfs/dbraw/zinc/09/61/97/179096197.db2.gz NFCZVMPLOOGCQT-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1OC2CCC1CC2 ZINC000636406031 346481904 /nfs/dbraw/zinc/48/19/04/346481904.db2.gz ZNWZICVAYCDTFM-UHFFFAOYSA-N 1 2 249.314 1.438 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000580325747 347098530 /nfs/dbraw/zinc/09/85/30/347098530.db2.gz XMBKVFFSKYLIDW-RITPCOANSA-N 1 2 247.245 1.256 20 0 BDADLO O=C(NCCCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636805610 349970984 /nfs/dbraw/zinc/97/09/84/349970984.db2.gz HDOWAGXLSBBILQ-LLVKDONJSA-N 1 2 248.330 1.297 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC1=CCCCC1 ZINC000186740300 346532529 /nfs/dbraw/zinc/53/25/29/346532529.db2.gz XPGQTPQEIRFAAY-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO COc1ccc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000186730836 346532618 /nfs/dbraw/zinc/53/26/18/346532618.db2.gz FLFDBBLEBUQQPO-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000186762224 346534334 /nfs/dbraw/zinc/53/43/34/346534334.db2.gz RBROUWYWEVDOFQ-CMPLNLGQSA-N 1 2 235.331 1.658 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ncn(C)n1)OC ZINC000623015076 346540487 /nfs/dbraw/zinc/54/04/87/346540487.db2.gz BGIDUAKSPIWVOS-AXFHLTTASA-N 1 2 240.351 1.527 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226951 488322315 /nfs/dbraw/zinc/32/23/15/488322315.db2.gz WCWKIEYJUUTVTO-VHSXEESVSA-N 1 2 216.300 1.193 20 0 BDADLO CCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679226951 488322317 /nfs/dbraw/zinc/32/23/17/488322317.db2.gz WCWKIEYJUUTVTO-VHSXEESVSA-N 1 2 216.300 1.193 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCCc2occc21 ZINC000577117762 365823271 /nfs/dbraw/zinc/82/32/71/365823271.db2.gz QHCJLUTXXJVHNN-LLVKDONJSA-N 1 2 245.282 1.670 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC1CCC1)C(C)(C)C ZINC000588202746 346646119 /nfs/dbraw/zinc/64/61/19/346646119.db2.gz GPALAXQNHUTPSC-NSHDSACASA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(F)F ZINC000580197773 346654698 /nfs/dbraw/zinc/65/46/98/346654698.db2.gz GHNMVEZUOCFYAN-BDAKNGLRSA-N 1 2 245.273 1.994 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2cocn2)cn1C ZINC000589169861 346671221 /nfs/dbraw/zinc/67/12/21/346671221.db2.gz NTTOWIPTAYIJRD-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)[C@H](C)OC ZINC000589542136 346711272 /nfs/dbraw/zinc/71/12/72/346711272.db2.gz KEWQGDOKGHEPGK-GRYCIOLGSA-N 1 2 245.363 1.977 20 0 BDADLO Cc1cccc(NCC[N@H+]2CCOC[C@@H]2C)[nH+]1 ZINC000354884388 179145487 /nfs/dbraw/zinc/14/54/87/179145487.db2.gz SDKAPLRJWXKISZ-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCOC[C@@H]2C)[nH+]1 ZINC000354884388 179145488 /nfs/dbraw/zinc/14/54/88/179145488.db2.gz SDKAPLRJWXKISZ-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000354884388 179145490 /nfs/dbraw/zinc/14/54/90/179145490.db2.gz SDKAPLRJWXKISZ-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO COC(=O)[C@@]1(C)CN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000601212212 346697950 /nfs/dbraw/zinc/69/79/50/346697950.db2.gz JUHFXEIQQFFGJI-ZANVPECISA-N 1 2 249.314 1.420 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987926 346761222 /nfs/dbraw/zinc/76/12/22/346761222.db2.gz LYTOARPLICAOER-BXKDBHETSA-N 1 2 232.283 1.327 20 0 BDADLO O=C(C1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590005699 346761889 /nfs/dbraw/zinc/76/18/89/346761889.db2.gz LASNTKNOMNMWMZ-UHFFFAOYSA-N 1 2 218.256 1.081 20 0 BDADLO CC[C@H](NC(=O)CCC(C)(C)O)c1[nH]cc[nH+]1 ZINC000584327641 346769934 /nfs/dbraw/zinc/76/99/34/346769934.db2.gz GYIPAQDAPFLDFG-VIFPVBQESA-N 1 2 239.319 1.528 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1F ZINC000679252981 488325389 /nfs/dbraw/zinc/32/53/89/488325389.db2.gz CKVRKDUBLPCFSK-ZJUUUORDSA-N 1 2 225.267 1.090 20 0 BDADLO CO[C@H](C)CSCCn1cc[nH+]c1 ZINC000181157399 346751149 /nfs/dbraw/zinc/75/11/49/346751149.db2.gz QBIREAUNEDJDLT-SECBINFHSA-N 1 2 200.307 1.651 20 0 BDADLO Cc1cccc(OCC[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000296115784 179166365 /nfs/dbraw/zinc/16/63/65/179166365.db2.gz HJOLFUFQKIWPFK-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cccc(OCC[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000296115784 179166367 /nfs/dbraw/zinc/16/63/67/179166367.db2.gz HJOLFUFQKIWPFK-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1CCc1cscn1 ZINC000582059005 347151947 /nfs/dbraw/zinc/15/19/47/347151947.db2.gz HAYSTBQYWFEXFY-LBPRGKRZSA-N 1 2 239.388 1.712 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1CCc1cscn1 ZINC000582059005 347151949 /nfs/dbraw/zinc/15/19/49/347151949.db2.gz HAYSTBQYWFEXFY-LBPRGKRZSA-N 1 2 239.388 1.712 20 0 BDADLO CCN1CC[N@H+](C/C=C/Cl)C(C)(C)C1=O ZINC000186541183 347236327 /nfs/dbraw/zinc/23/63/27/347236327.db2.gz HARZGKWCPGCQBV-AATRIKPKSA-N 1 2 230.739 1.682 20 0 BDADLO CCN1CC[N@@H+](C/C=C/Cl)C(C)(C)C1=O ZINC000186541183 347236335 /nfs/dbraw/zinc/23/63/35/347236335.db2.gz HARZGKWCPGCQBV-AATRIKPKSA-N 1 2 230.739 1.682 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)[C@]12C[C@H]1CCC2 ZINC000627373298 347336189 /nfs/dbraw/zinc/33/61/89/347336189.db2.gz NFZVRMAAEACFJJ-NOZJJQNGSA-N 1 2 231.299 1.485 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)[C@]12C[C@H]1CCC2 ZINC000627373298 347336192 /nfs/dbraw/zinc/33/61/92/347336192.db2.gz NFZVRMAAEACFJJ-NOZJJQNGSA-N 1 2 231.299 1.485 20 0 BDADLO Cc1nc(C[N@@H+]2CCS[C@H](C)CC2)no1 ZINC000192172401 347368839 /nfs/dbraw/zinc/36/88/39/347368839.db2.gz ILGGEJOUADHXAU-MRVPVSSYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nc(C[N@H+]2CCS[C@H](C)CC2)no1 ZINC000192172401 347368842 /nfs/dbraw/zinc/36/88/42/347368842.db2.gz ILGGEJOUADHXAU-MRVPVSSYSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000252761777 347415193 /nfs/dbraw/zinc/41/51/93/347415193.db2.gz GTYGAMNYFBDWSL-GLSBUQGYSA-N 1 2 243.376 1.526 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC=CCC1 ZINC000616922725 347453753 /nfs/dbraw/zinc/45/37/53/347453753.db2.gz GZBDYGPUWQRNCQ-JTQLQIEISA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC=CCC1 ZINC000616922725 347453757 /nfs/dbraw/zinc/45/37/57/347453757.db2.gz GZBDYGPUWQRNCQ-JTQLQIEISA-N 1 2 219.288 1.724 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616229781 347428113 /nfs/dbraw/zinc/42/81/13/347428113.db2.gz WVHRMXSCGNIQOX-JFGNBEQYSA-N 1 2 247.342 1.675 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616229781 347428116 /nfs/dbraw/zinc/42/81/16/347428116.db2.gz WVHRMXSCGNIQOX-JFGNBEQYSA-N 1 2 247.342 1.675 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]c1C ZINC000590658176 347487380 /nfs/dbraw/zinc/48/73/80/347487380.db2.gz XMBHPQFIXJAPLS-MNOVXSKESA-N 1 2 237.303 1.149 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)C1CC1 ZINC000616928615 347494551 /nfs/dbraw/zinc/49/45/51/347494551.db2.gz GWTHXKFCTZUAFO-UHFFFAOYSA-N 1 2 221.304 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)C1CC1 ZINC000616928615 347494552 /nfs/dbraw/zinc/49/45/52/347494552.db2.gz GWTHXKFCTZUAFO-UHFFFAOYSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616928524 347495052 /nfs/dbraw/zinc/49/50/52/347495052.db2.gz DBOROYPNRFFDFD-FXPVBKGRSA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616928524 347495055 /nfs/dbraw/zinc/49/50/55/347495055.db2.gz DBOROYPNRFFDFD-FXPVBKGRSA-N 1 2 237.303 1.182 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590731220 347497401 /nfs/dbraw/zinc/49/74/01/347497401.db2.gz XJBBGCPVRIABDS-NSHDSACASA-N 1 2 245.286 1.084 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCC1CC1 ZINC000616929354 347497408 /nfs/dbraw/zinc/49/74/08/347497408.db2.gz YZTDEIZFMNDSKE-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCC1CC1 ZINC000616929354 347497409 /nfs/dbraw/zinc/49/74/09/347497409.db2.gz YZTDEIZFMNDSKE-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590731217 347497526 /nfs/dbraw/zinc/49/75/26/347497526.db2.gz XJBBGCPVRIABDS-LLVKDONJSA-N 1 2 245.286 1.084 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616926502 347458911 /nfs/dbraw/zinc/45/89/11/347458911.db2.gz FNHXEAYKNALYQK-MNOVXSKESA-N 1 2 237.303 1.326 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616926502 347458912 /nfs/dbraw/zinc/45/89/12/347458912.db2.gz FNHXEAYKNALYQK-MNOVXSKESA-N 1 2 237.303 1.326 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCSC1 ZINC000616929337 347497596 /nfs/dbraw/zinc/49/75/96/347497596.db2.gz YMAMCMRCBRVBHS-SECBINFHSA-N 1 2 239.344 1.511 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927184 347460387 /nfs/dbraw/zinc/46/03/87/347460387.db2.gz CJVNBHYMFFWAGE-GHMZBOCLSA-N 1 2 221.304 1.660 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927184 347460389 /nfs/dbraw/zinc/46/03/89/347460389.db2.gz CJVNBHYMFFWAGE-GHMZBOCLSA-N 1 2 221.304 1.660 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCSC1 ZINC000616929337 347497599 /nfs/dbraw/zinc/49/75/99/347497599.db2.gz YMAMCMRCBRVBHS-SECBINFHSA-N 1 2 239.344 1.511 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927186 347460760 /nfs/dbraw/zinc/46/07/60/347460760.db2.gz CJVNBHYMFFWAGE-QWRGUYRKSA-N 1 2 221.304 1.660 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927186 347460764 /nfs/dbraw/zinc/46/07/64/347460764.db2.gz CJVNBHYMFFWAGE-QWRGUYRKSA-N 1 2 221.304 1.660 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601909 347475868 /nfs/dbraw/zinc/47/58/68/347475868.db2.gz SROMDELKSOIGMU-NEPJUHHUSA-N 1 2 248.326 1.823 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601909 347475870 /nfs/dbraw/zinc/47/58/70/347475870.db2.gz SROMDELKSOIGMU-NEPJUHHUSA-N 1 2 248.326 1.823 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)c1cocn1 ZINC000591106802 347615951 /nfs/dbraw/zinc/61/59/51/347615951.db2.gz ZNXPFTSUBPEFPI-UHFFFAOYSA-N 1 2 242.238 1.252 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cn[nH]c1 ZINC000591131959 347624400 /nfs/dbraw/zinc/62/44/00/347624400.db2.gz VDFSNQIWQAOPHF-UHFFFAOYSA-N 1 2 219.248 1.025 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cocn1 ZINC000591152751 347626044 /nfs/dbraw/zinc/62/60/44/347626044.db2.gz PUQAMTWECMJXGM-UHFFFAOYSA-N 1 2 232.243 1.388 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000580692114 365905927 /nfs/dbraw/zinc/90/59/27/365905927.db2.gz RXXMJWUNTPLYQW-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000580692114 365905934 /nfs/dbraw/zinc/90/59/34/365905934.db2.gz RXXMJWUNTPLYQW-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO CCc1cc(NC2CCN(C(C)=O)CC2)nc[nH+]1 ZINC000592454660 347781997 /nfs/dbraw/zinc/78/19/97/347781997.db2.gz GXQQVJJETOYBFQ-UHFFFAOYSA-N 1 2 248.330 1.462 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CO[C@@H](C)C1 ZINC000565313586 347775325 /nfs/dbraw/zinc/77/53/25/347775325.db2.gz LXBOHPKJXFVHTB-WPRPVWTQSA-N 1 2 207.277 1.683 20 0 BDADLO CCc1cc(NC[C@@H](C)Cn2cccn2)nc[nH+]1 ZINC000592456093 347783542 /nfs/dbraw/zinc/78/35/42/347783542.db2.gz AMHGGFQCTSIXRQ-LLVKDONJSA-N 1 2 245.330 1.406 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1CCOCC1 ZINC000343713036 133702014 /nfs/dbraw/zinc/70/20/14/133702014.db2.gz OECGITKLJSOEEE-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO FC(F)O[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000679679911 488363832 /nfs/dbraw/zinc/36/38/32/488363832.db2.gz FEDJVNKFCJIEOR-QMMMGPOBSA-N 1 2 231.246 1.613 20 0 BDADLO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC000593094985 347853383 /nfs/dbraw/zinc/85/33/83/347853383.db2.gz MVOJEYOOBJDTOL-MMPTUQATSA-N 1 2 239.315 1.531 20 0 BDADLO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC000593094985 347853387 /nfs/dbraw/zinc/85/33/87/347853387.db2.gz MVOJEYOOBJDTOL-MMPTUQATSA-N 1 2 239.315 1.531 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCC2(C)C)nn1 ZINC000577304167 365923320 /nfs/dbraw/zinc/92/33/20/365923320.db2.gz CCLNWVNVYXSTQW-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCC2(C)C)nn1 ZINC000577304167 365923324 /nfs/dbraw/zinc/92/33/24/365923324.db2.gz CCLNWVNVYXSTQW-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO C[C@H](c1ccccn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000577315464 365923422 /nfs/dbraw/zinc/92/34/22/365923422.db2.gz ZNACSPOMVOQHHE-LLVKDONJSA-N 1 2 244.298 1.498 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593102576 347858688 /nfs/dbraw/zinc/85/86/88/347858688.db2.gz XYTAXYYILJSMBB-KOSWAMCASA-N 1 2 242.369 1.157 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593102576 347858693 /nfs/dbraw/zinc/85/86/93/347858693.db2.gz XYTAXYYILJSMBB-KOSWAMCASA-N 1 2 242.369 1.157 20 0 BDADLO CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000201173883 347874160 /nfs/dbraw/zinc/87/41/60/347874160.db2.gz ZTKKUKFVDCJQKR-GFCCVEGCSA-N 1 2 238.718 1.833 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC1CCC1 ZINC000593251056 347874936 /nfs/dbraw/zinc/87/49/36/347874936.db2.gz ONWXPRZWSWVGNM-UHFFFAOYSA-N 1 2 207.277 1.332 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)nn1 ZINC000679683322 488364363 /nfs/dbraw/zinc/36/43/63/488364363.db2.gz LLFMHUBKTWQOHM-VIFPVBQESA-N 1 2 246.261 1.019 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)nn1 ZINC000679683322 488364365 /nfs/dbraw/zinc/36/43/65/488364365.db2.gz LLFMHUBKTWQOHM-VIFPVBQESA-N 1 2 246.261 1.019 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577387257 365941768 /nfs/dbraw/zinc/94/17/68/365941768.db2.gz DMIXCIKXICZPAB-NXEZZACHSA-N 1 2 242.388 1.196 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000593689334 347927835 /nfs/dbraw/zinc/92/78/35/347927835.db2.gz SKMKHUAMVLGZRS-HCYDYPBKSA-N 1 2 239.340 1.547 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000593689334 347927836 /nfs/dbraw/zinc/92/78/36/347927836.db2.gz SKMKHUAMVLGZRS-HCYDYPBKSA-N 1 2 239.340 1.547 20 0 BDADLO CC[C@@H]([NH2+]CC1(OC)CCCCC1)C(=O)OC ZINC000319600796 259399168 /nfs/dbraw/zinc/39/91/68/259399168.db2.gz JKVYPXCSMRVFMF-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO COCCc1noc(C[N@H+]2CC=CCC2)n1 ZINC000679322321 490113933 /nfs/dbraw/zinc/11/39/33/490113933.db2.gz DXSDBVNGIQGHJV-UHFFFAOYSA-N 1 2 223.276 1.020 20 0 BDADLO COCCc1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679322321 490113938 /nfs/dbraw/zinc/11/39/38/490113938.db2.gz DXSDBVNGIQGHJV-UHFFFAOYSA-N 1 2 223.276 1.020 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCO1 ZINC000577410249 365948690 /nfs/dbraw/zinc/94/86/90/365948690.db2.gz AFEOPOMZEQRQTA-VIFPVBQESA-N 1 2 223.276 1.142 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCO1 ZINC000577410249 365948696 /nfs/dbraw/zinc/94/86/96/365948696.db2.gz AFEOPOMZEQRQTA-VIFPVBQESA-N 1 2 223.276 1.142 20 0 BDADLO CSCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594211065 348022443 /nfs/dbraw/zinc/02/24/43/348022443.db2.gz FWCIDGLCXWYDNA-QMMMGPOBSA-N 1 2 227.333 1.068 20 0 BDADLO CSCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594211065 348022445 /nfs/dbraw/zinc/02/24/45/348022445.db2.gz FWCIDGLCXWYDNA-QMMMGPOBSA-N 1 2 227.333 1.068 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](SC)C1 ZINC000594581151 348076359 /nfs/dbraw/zinc/07/63/59/348076359.db2.gz WZPOEWQGORGIIW-VIFPVBQESA-N 1 2 239.344 1.735 20 0 BDADLO CC[C@@H]([NH2+]CCC(C)(C)F)C(=O)OC ZINC000594729923 348113018 /nfs/dbraw/zinc/11/30/18/348113018.db2.gz PTCIZOTXVOGBKI-MRVPVSSYSA-N 1 2 205.273 1.666 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)C(=O)OC ZINC000594615889 348084115 /nfs/dbraw/zinc/08/41/15/348084115.db2.gz XBBYOANDCIDMFP-UTLUCORTSA-N 1 2 247.360 1.048 20 0 BDADLO COC(=O)c1cc(C[NH2+]Cc2cc[nH]n2)c(C)o1 ZINC000594600078 348086361 /nfs/dbraw/zinc/08/63/61/348086361.db2.gz JDNMOPNGFKITRJ-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000594914790 348135181 /nfs/dbraw/zinc/13/51/81/348135181.db2.gz LJAAIVHSXDYRCC-JMJZKYOTSA-N 1 2 237.303 1.005 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000616207668 348138892 /nfs/dbraw/zinc/13/88/92/348138892.db2.gz JZMXZBJLOWVWDT-RTXFEEFZSA-N 1 2 247.342 1.515 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2nc(C)c[nH]2)o1 ZINC000594920243 348154516 /nfs/dbraw/zinc/15/45/16/348154516.db2.gz FKTWYLUPHUTCFT-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](OC)C1CCCCC1 ZINC000595288665 348213520 /nfs/dbraw/zinc/21/35/20/348213520.db2.gz RBLJPUFBZREWDN-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](OC)C1CCCCC1 ZINC000595288665 348213523 /nfs/dbraw/zinc/21/35/23/348213523.db2.gz RBLJPUFBZREWDN-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](OC)C1CCC1 ZINC000595307200 348222164 /nfs/dbraw/zinc/22/21/64/348222164.db2.gz IWWUGBRXBFTXBR-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2cscn2)c2[nH+]ccn21 ZINC000334746817 133730796 /nfs/dbraw/zinc/73/07/96/133730796.db2.gz CRFUKMGMODJOEO-YUMQZZPRSA-N 1 2 248.311 1.775 20 0 BDADLO CCC(CC)C[NH2+][C@](C)(COC)C(=O)OC ZINC000595408504 348240995 /nfs/dbraw/zinc/24/09/95/348240995.db2.gz QSCZIGILVYROGQ-GFCCVEGCSA-N 1 2 231.336 1.590 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c(C)o1 ZINC000595423045 348245357 /nfs/dbraw/zinc/24/53/57/348245357.db2.gz DIBRBMNJKZOVRH-VPTHRUTESA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c(C)o1 ZINC000595423045 348245358 /nfs/dbraw/zinc/24/53/58/348245358.db2.gz DIBRBMNJKZOVRH-VPTHRUTESA-N 1 2 244.360 1.490 20 0 BDADLO Cc1cccnc1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000289765774 179381687 /nfs/dbraw/zinc/38/16/87/179381687.db2.gz OWSITMFTWPNBJH-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595467653 348258707 /nfs/dbraw/zinc/25/87/07/348258707.db2.gz SNOCGMVBTFSZGV-OSUNSFLBSA-N 1 2 241.306 1.618 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595467653 348258710 /nfs/dbraw/zinc/25/87/10/348258710.db2.gz SNOCGMVBTFSZGV-OSUNSFLBSA-N 1 2 241.306 1.618 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000364338987 179376763 /nfs/dbraw/zinc/37/67/63/179376763.db2.gz BZZHEDLLMLZVAY-DGCLKSJQSA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000364338987 179376764 /nfs/dbraw/zinc/37/67/64/179376764.db2.gz BZZHEDLLMLZVAY-DGCLKSJQSA-N 1 2 246.310 1.527 20 0 BDADLO CO[C@H](C[NH2+][C@H](C)c1ncn(C)n1)CC(C)C ZINC000419258384 192115343 /nfs/dbraw/zinc/11/53/43/192115343.db2.gz NBIUIYZOQYWHFQ-MNOVXSKESA-N 1 2 240.351 1.527 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CC1CCCCCC1 ZINC000595530891 348273009 /nfs/dbraw/zinc/27/30/09/348273009.db2.gz ARZFXPHXRXHEAW-CYBMUJFWSA-N 1 2 243.347 1.470 20 0 BDADLO CCC[C@H](C(=O)OCC)N(C)Cc1c[nH+]c[nH]1 ZINC000595595049 348282223 /nfs/dbraw/zinc/28/22/23/348282223.db2.gz BMQVQSVCWDLPLH-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@H](C(=O)OCC)N(C)Cc1c[nH]c[nH+]1 ZINC000595595049 348282227 /nfs/dbraw/zinc/28/22/27/348282227.db2.gz BMQVQSVCWDLPLH-LLVKDONJSA-N 1 2 239.319 1.573 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616306 348289286 /nfs/dbraw/zinc/28/92/86/348289286.db2.gz ANYWFTBXEJKFJJ-GWCFXTLKSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616306 348289287 /nfs/dbraw/zinc/28/92/87/348289287.db2.gz ANYWFTBXEJKFJJ-GWCFXTLKSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617264 348289578 /nfs/dbraw/zinc/28/95/78/348289578.db2.gz HTBXCCRFNXIXJB-AAEUAGOBSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617264 348289581 /nfs/dbraw/zinc/28/95/81/348289581.db2.gz HTBXCCRFNXIXJB-AAEUAGOBSA-N 1 2 241.331 1.439 20 0 BDADLO CCCC[NH2+][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595730885 348317134 /nfs/dbraw/zinc/31/71/34/348317134.db2.gz LBXPXBHZHADZMR-ZDUSSCGKSA-N 1 2 243.347 1.877 20 0 BDADLO CC[NH2+][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595736787 348319200 /nfs/dbraw/zinc/31/92/00/348319200.db2.gz VKAYQEMEXLWRLP-NSHDSACASA-N 1 2 215.293 1.097 20 0 BDADLO CC[C@H](CNc1[nH+]cccc1OC)OC ZINC000309009780 323184198 /nfs/dbraw/zinc/18/41/98/323184198.db2.gz WISXUNQZDUYRRY-SECBINFHSA-N 1 2 210.277 1.927 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC[C@@H](C)O ZINC000595776162 348338654 /nfs/dbraw/zinc/33/86/54/348338654.db2.gz REVAMIIOKCPAGW-MWLCHTKSSA-N 1 2 235.299 1.028 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595776279 348338889 /nfs/dbraw/zinc/33/88/89/348338889.db2.gz AJHWGNGCOCGRIW-UWVGGRQHSA-N 1 2 241.331 1.221 20 0 BDADLO C/C=C/CNC(=O)NCCCCn1cc[nH+]c1 ZINC000623486974 362911429 /nfs/dbraw/zinc/91/14/29/362911429.db2.gz OUTBQCMHJUMNKD-NSCUHMNNSA-N 1 2 236.319 1.539 20 0 BDADLO CC[C@H]([NH2+]C[C@H](CC(C)C)OC)C(=O)OC ZINC000419359551 192127272 /nfs/dbraw/zinc/12/72/72/192127272.db2.gz RJEFAEGCVVPZMK-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](CC(C)C)OC)C(=O)OC ZINC000419359550 192127305 /nfs/dbraw/zinc/12/73/05/192127305.db2.gz RJEFAEGCVVPZMK-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO Cc1ccnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000371595033 179432301 /nfs/dbraw/zinc/43/23/01/179432301.db2.gz AULZXGPBXGMMLB-SNVBAGLBSA-N 1 2 229.287 1.850 20 0 BDADLO Cc1c[nH]c(CN(CC(F)F)C[C@@H](C)O)[nH+]1 ZINC000628300571 348428473 /nfs/dbraw/zinc/42/84/73/348428473.db2.gz LWYYSKUUSAIPPY-MRVPVSSYSA-N 1 2 233.262 1.166 20 0 BDADLO Cc1c[nH]c(CN(CC(F)F)C[C@H](C)O)[nH+]1 ZINC000628300572 348428730 /nfs/dbraw/zinc/42/87/30/348428730.db2.gz LWYYSKUUSAIPPY-QMMMGPOBSA-N 1 2 233.262 1.166 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCSC)c1 ZINC000596052664 348433390 /nfs/dbraw/zinc/43/33/90/348433390.db2.gz GBAIMUUJAZXQEC-UHFFFAOYSA-N 1 2 240.328 1.572 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000402175431 349992879 /nfs/dbraw/zinc/99/28/79/349992879.db2.gz YCGGMFUPLJVHLL-BBBLOLIVSA-N 1 2 229.320 1.484 20 0 BDADLO Cc1ccoc1C[NH2+]CN1CCC(=O)CC1 ZINC000292862661 179523616 /nfs/dbraw/zinc/52/36/16/179523616.db2.gz VMZORJDGLDHTCW-UHFFFAOYSA-N 1 2 222.288 1.300 20 0 BDADLO CCn1c[nH+]cc1CNc1cc(C2CC2)n(C)n1 ZINC000419713314 192144452 /nfs/dbraw/zinc/14/44/52/192144452.db2.gz VTODXVGWJSDDQF-UHFFFAOYSA-N 1 2 245.330 1.548 20 0 BDADLO CC[C@@H](C(=O)Nc1cc[nH+]cc1C)[C@@H](C)O ZINC000419880057 192147940 /nfs/dbraw/zinc/14/79/40/192147940.db2.gz UDNNUDXDDALFMK-NXEZZACHSA-N 1 2 222.288 1.157 20 0 BDADLO COC(=O)CCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000596501285 348570790 /nfs/dbraw/zinc/57/07/90/348570790.db2.gz DYSLYTONAPINFX-UHFFFAOYSA-N 1 2 249.314 1.743 20 0 BDADLO Cn1nccc1C[NH2+][C@H]1CCCC1(F)F ZINC000389920416 538009029 /nfs/dbraw/zinc/00/90/29/538009029.db2.gz QERQIMQEXGSBTL-VIFPVBQESA-N 1 2 215.247 1.698 20 0 BDADLO COC(=O)[C@@H](CF)NCc1[nH+]ccn1C(C)C ZINC000597131984 348660583 /nfs/dbraw/zinc/66/05/83/348660583.db2.gz ZPNFPBRFUQEOGL-SECBINFHSA-N 1 2 243.282 1.065 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000597116167 348663219 /nfs/dbraw/zinc/66/32/19/348663219.db2.gz DTCOGSKWAQXFJH-SSDOTTSWSA-N 1 2 221.247 1.225 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCOC[C@@H]2C)c(C)c[nH+]1 ZINC000577461615 365957908 /nfs/dbraw/zinc/95/79/08/365957908.db2.gz MQQUKHNXERANQY-CMPLNLGQSA-N 1 2 248.326 1.731 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000597764155 348819213 /nfs/dbraw/zinc/81/92/13/348819213.db2.gz QCVBZKGIJMAAQL-LBPRGKRZSA-N 1 2 244.298 1.689 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCc1cnn(C)c1 ZINC000107292523 179705607 /nfs/dbraw/zinc/70/56/07/179705607.db2.gz YXSGHQJMSYHJKJ-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO CS[C@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944247 349062829 /nfs/dbraw/zinc/06/28/29/349062829.db2.gz LAEVZAMJEYTHAS-BDAKNGLRSA-N 1 2 239.344 1.066 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000308913896 349066782 /nfs/dbraw/zinc/06/67/82/349066782.db2.gz FJQJFAZNIVAZKH-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)CCCC[N@H+](C)CC(F)F ZINC000599284242 349146387 /nfs/dbraw/zinc/14/63/87/349146387.db2.gz PCQLTSZTQSPOOS-UHFFFAOYSA-N 1 2 209.236 1.527 20 0 BDADLO COC(=O)CCCC[N@@H+](C)CC(F)F ZINC000599284242 349146389 /nfs/dbraw/zinc/14/63/89/349146389.db2.gz PCQLTSZTQSPOOS-UHFFFAOYSA-N 1 2 209.236 1.527 20 0 BDADLO CCO[C@H](C[NH2+][C@H](C(=O)OC)C1CC1)C1CC1 ZINC000599378971 349163308 /nfs/dbraw/zinc/16/33/08/349163308.db2.gz VQEMNBZUFDHORT-NEPJUHHUSA-N 1 2 241.331 1.343 20 0 BDADLO CC(C)(C)OC(=O)C[NH+](C1CC1)C1CC1 ZINC000599593804 349222422 /nfs/dbraw/zinc/22/24/22/349222422.db2.gz HZGGOCCCHOXMPB-UHFFFAOYSA-N 1 2 211.305 1.955 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCO ZINC000599658918 349236326 /nfs/dbraw/zinc/23/63/26/349236326.db2.gz GSEMSFITKBHMJS-UHFFFAOYSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1cc(NC[C@H](CO)Cc2ccco2)nc[nH+]1 ZINC000599453559 349198994 /nfs/dbraw/zinc/19/89/94/349198994.db2.gz TVNBZISVTRZTIZ-LLVKDONJSA-N 1 2 247.298 1.063 20 0 BDADLO COC(=O)C1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000600105610 349292507 /nfs/dbraw/zinc/29/25/07/349292507.db2.gz BKALTWIQCGNFNK-UHFFFAOYSA-N 1 2 237.303 1.103 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2ccccn2)[nH]1 ZINC000184654517 349273965 /nfs/dbraw/zinc/27/39/65/349273965.db2.gz KSDLDCATMBFFKD-VIFPVBQESA-N 1 2 231.303 1.613 20 0 BDADLO Nc1ccnc(C[N@@H+]2CCC23CCC3)n1 ZINC000309068971 323221960 /nfs/dbraw/zinc/22/19/60/323221960.db2.gz BUESLMXOARVEKK-UHFFFAOYSA-N 1 2 204.277 1.187 20 0 BDADLO Nc1ccnc(C[N@H+]2CCC23CCC3)n1 ZINC000309068971 323221964 /nfs/dbraw/zinc/22/19/64/323221964.db2.gz BUESLMXOARVEKK-UHFFFAOYSA-N 1 2 204.277 1.187 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@]2(C)CCCS2)c[nH+]1 ZINC000268430361 179884554 /nfs/dbraw/zinc/88/45/54/179884554.db2.gz MZBNHQPMUZUTFZ-LLVKDONJSA-N 1 2 239.344 1.734 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CC(=O)NC(C)C ZINC000070978996 490251669 /nfs/dbraw/zinc/25/16/69/490251669.db2.gz BAPXGPBJGJTYOO-UHFFFAOYSA-N 1 2 240.269 1.785 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC(C)C ZINC000070978996 490251673 /nfs/dbraw/zinc/25/16/73/490251673.db2.gz BAPXGPBJGJTYOO-UHFFFAOYSA-N 1 2 240.269 1.785 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)C(F)(F)F)cs1 ZINC000070169024 179969649 /nfs/dbraw/zinc/96/96/49/179969649.db2.gz LCZBUXMNKXREKU-ZETCQYMHSA-N 1 2 240.250 1.464 20 0 BDADLO CC(C)Cc1noc(Cn2cc[nH+]c2)n1 ZINC000073778204 191005566 /nfs/dbraw/zinc/00/55/66/191005566.db2.gz TWFUYOGGSVXHKU-UHFFFAOYSA-N 1 2 206.249 1.513 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(C(F)(F)F)CC1 ZINC000603869930 350046768 /nfs/dbraw/zinc/04/67/68/350046768.db2.gz TWWNIORNODVTSO-UHFFFAOYSA-N 1 2 233.193 1.368 20 0 BDADLO CN(Cc1cn[nH]c1)C(=O)CCCn1cc[nH+]c1 ZINC000603913358 350055372 /nfs/dbraw/zinc/05/53/72/350055372.db2.gz YAJFHYCRWFPTDB-UHFFFAOYSA-N 1 2 247.302 1.045 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](CC(C)(C)C)CCO2)no1 ZINC000378347099 180043980 /nfs/dbraw/zinc/04/39/80/180043980.db2.gz CAQJWQXFBBOVKO-JTQLQIEISA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](CC(C)(C)C)CCO2)no1 ZINC000378347099 180043981 /nfs/dbraw/zinc/04/39/81/180043981.db2.gz CAQJWQXFBBOVKO-JTQLQIEISA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCn2cccn2)[nH]1 ZINC000331352808 180046792 /nfs/dbraw/zinc/04/67/92/180046792.db2.gz OTHUIZQRQQTQIT-VIFPVBQESA-N 1 2 234.307 1.003 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCn2cccn2)[nH]1 ZINC000331352808 180046794 /nfs/dbraw/zinc/04/67/94/180046794.db2.gz OTHUIZQRQQTQIT-VIFPVBQESA-N 1 2 234.307 1.003 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000367720800 180046850 /nfs/dbraw/zinc/04/68/50/180046850.db2.gz MVBGERJJSWYEFY-INTQDDNPSA-N 1 2 237.303 1.550 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H]3OCC[C@H]3C2)no1 ZINC000367720800 180046852 /nfs/dbraw/zinc/04/68/52/180046852.db2.gz MVBGERJJSWYEFY-INTQDDNPSA-N 1 2 237.303 1.550 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](CO)CC2)no1 ZINC000331670095 180047837 /nfs/dbraw/zinc/04/78/37/180047837.db2.gz RQBBBZJHGYKZKR-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](CO)CC2)no1 ZINC000331670095 180047840 /nfs/dbraw/zinc/04/78/40/180047840.db2.gz RQBBBZJHGYKZKR-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329739279 180058229 /nfs/dbraw/zinc/05/82/29/180058229.db2.gz UTLYQIREPITEDI-VHSXEESVSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329739279 180058233 /nfs/dbraw/zinc/05/82/33/180058233.db2.gz UTLYQIREPITEDI-VHSXEESVSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc(N[C@H](C)CCO)c2c([nH+]1)CCCC2 ZINC000272714162 180070943 /nfs/dbraw/zinc/07/09/43/180070943.db2.gz ACRVNCJELDDACR-SECBINFHSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@@H](O)C(C)C)cc2[nH+]1 ZINC000362477666 180094595 /nfs/dbraw/zinc/09/45/95/180094595.db2.gz WVPVYLAWLPSPBY-LBPRGKRZSA-N 1 2 247.298 1.827 20 0 BDADLO Cc1[nH]c2cc(NC(=O)[C@@H](O)C(C)C)ccc2[nH+]1 ZINC000362477666 180094597 /nfs/dbraw/zinc/09/45/97/180094597.db2.gz WVPVYLAWLPSPBY-LBPRGKRZSA-N 1 2 247.298 1.827 20 0 BDADLO Cc1nc(NCCCCO)c2c([nH+]1)CCCC2 ZINC000278806967 180070220 /nfs/dbraw/zinc/07/02/20/180070220.db2.gz RURATFXHIGQXKC-UHFFFAOYSA-N 1 2 235.331 1.848 20 0 BDADLO CCCCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374361219 168614374 /nfs/dbraw/zinc/61/43/74/168614374.db2.gz ACXCOBZHYJUIBY-ZDUSSCGKSA-N 1 2 247.342 1.745 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnccn2)ncn1 ZINC000428244618 191050054 /nfs/dbraw/zinc/05/00/54/191050054.db2.gz ITUXNNCTMIRCOZ-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnccn2)ncn1 ZINC000428244618 191050055 /nfs/dbraw/zinc/05/00/55/191050055.db2.gz ITUXNNCTMIRCOZ-UHFFFAOYSA-N 1 2 229.287 1.207 20 0 BDADLO CC(C)CN1CC[N@H+](Cc2ccccc2)CC1=O ZINC000145335164 191050268 /nfs/dbraw/zinc/05/02/68/191050268.db2.gz JDYNPUHKVMDBAU-UHFFFAOYSA-N 1 2 246.354 1.987 20 0 BDADLO CC(C)CN1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000145335164 191050270 /nfs/dbraw/zinc/05/02/70/191050270.db2.gz JDYNPUHKVMDBAU-UHFFFAOYSA-N 1 2 246.354 1.987 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)ccc1O ZINC000336327706 180119448 /nfs/dbraw/zinc/11/94/48/180119448.db2.gz ALGYHMPQFAIRCW-UHFFFAOYSA-N 1 2 249.245 1.493 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000333074701 180120598 /nfs/dbraw/zinc/12/05/98/180120598.db2.gz VRVOKYCOHRAKLN-NXEZZACHSA-N 1 2 219.288 1.380 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC2CC2)C1 ZINC000359704340 180120692 /nfs/dbraw/zinc/12/06/92/180120692.db2.gz LKAJTJOHAYBEMS-LBPRGKRZSA-N 1 2 247.342 1.909 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cn1 ZINC000352404849 180145729 /nfs/dbraw/zinc/14/57/29/180145729.db2.gz DWONEULKZJIDMN-HZMBPMFUSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cn1 ZINC000352404849 180145731 /nfs/dbraw/zinc/14/57/31/180145731.db2.gz DWONEULKZJIDMN-HZMBPMFUSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000352404851 180146709 /nfs/dbraw/zinc/14/67/09/180146709.db2.gz DWONEULKZJIDMN-QMTHXVAHSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cn1 ZINC000352404851 180146711 /nfs/dbraw/zinc/14/67/11/180146711.db2.gz DWONEULKZJIDMN-QMTHXVAHSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@](F)(CO)C2)s1 ZINC000336312739 180146747 /nfs/dbraw/zinc/14/67/47/180146747.db2.gz GUNALINEWHMOIJ-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@](F)(CO)C2)s1 ZINC000336312739 180146748 /nfs/dbraw/zinc/14/67/48/180146748.db2.gz GUNALINEWHMOIJ-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO CCN(CC)c1nc(C)[nH+]c(N(C)C)n1 ZINC000002034767 350184935 /nfs/dbraw/zinc/18/49/35/350184935.db2.gz HYOJQJWUBHBAEH-UHFFFAOYSA-N 1 2 209.297 1.092 20 0 BDADLO CCN(CC)c1nc(N(C)C)nc(C)[nH+]1 ZINC000002034767 350184937 /nfs/dbraw/zinc/18/49/37/350184937.db2.gz HYOJQJWUBHBAEH-UHFFFAOYSA-N 1 2 209.297 1.092 20 0 BDADLO CCNC(=O)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000604756950 350187581 /nfs/dbraw/zinc/18/75/81/350187581.db2.gz MENXRPBGWJNRLA-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO Cc1cc(NC[C@@](C)(O)C(C)C)nc(C2CC2)[nH+]1 ZINC000604756723 350187844 /nfs/dbraw/zinc/18/78/44/350187844.db2.gz SGMWPOAPOMRMQH-CQSZACIVSA-N 1 2 249.358 1.903 20 0 BDADLO Cc1cc(NC[C@](C)(O)C(C)C)nc(C2CC2)[nH+]1 ZINC000604756722 350187851 /nfs/dbraw/zinc/18/78/51/350187851.db2.gz SGMWPOAPOMRMQH-AWEZNQCLSA-N 1 2 249.358 1.903 20 0 BDADLO CC(C)(C)n1nnnc1C[NH+]1CCCC1 ZINC000004230557 350190594 /nfs/dbraw/zinc/19/05/94/350190594.db2.gz GHYMFBPEVKIUOX-UHFFFAOYSA-N 1 2 209.297 1.024 20 0 BDADLO Cc1nccc(C[NH2+][C@H](CO)c2ccsc2)n1 ZINC000339361207 180191510 /nfs/dbraw/zinc/19/15/10/180191510.db2.gz ZYUHGHQTCOMLIB-GFCCVEGCSA-N 1 2 249.339 1.670 20 0 BDADLO CNC(=O)C[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000428293084 191077706 /nfs/dbraw/zinc/07/77/06/191077706.db2.gz FNNMJBLMDULSQQ-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000428293084 191077709 /nfs/dbraw/zinc/07/77/09/191077709.db2.gz FNNMJBLMDULSQQ-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO Cc1[nH+]ccc(NCc2n[nH]c(=O)[nH]2)c1Cl ZINC000309847086 180203108 /nfs/dbraw/zinc/20/31/08/180203108.db2.gz HAARJDRWABXCPP-UHFFFAOYSA-N 1 2 239.666 1.067 20 0 BDADLO Cc1nc(N[C@@H](CO)C(C)(C)C)cc[nH+]1 ZINC000268511927 180203447 /nfs/dbraw/zinc/20/34/47/180203447.db2.gz WUZYPAAMWNIHBZ-VIFPVBQESA-N 1 2 209.293 1.604 20 0 BDADLO Cc1nc(NCc2ccnn2C)cc[nH+]1 ZINC000070905370 180203700 /nfs/dbraw/zinc/20/37/00/180203700.db2.gz ILBPXJPRYPIDJU-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(N[C@H](CO)c2ccsc2)cc[nH+]1 ZINC000336723139 180205397 /nfs/dbraw/zinc/20/53/97/180205397.db2.gz DVSFOAHINHWUSJ-SNVBAGLBSA-N 1 2 235.312 1.992 20 0 BDADLO Cc1nccnc1NCc1ccc[nH+]c1N(C)C ZINC000357320376 180180597 /nfs/dbraw/zinc/18/05/97/180180597.db2.gz XPGNOUUBHPLGPI-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO Cc1nccc(NCc2c[nH+]c3n2CCCC3)n1 ZINC000376485129 180181812 /nfs/dbraw/zinc/18/18/12/180181812.db2.gz CDMYCUGVBJEPSX-UHFFFAOYSA-N 1 2 243.314 1.352 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000366467541 180182872 /nfs/dbraw/zinc/18/28/72/180182872.db2.gz SLVBVZGYRCFNPB-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000366467541 180182875 /nfs/dbraw/zinc/18/28/75/180182875.db2.gz SLVBVZGYRCFNPB-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@@]23CCOC3=O)n1 ZINC000366454030 180183990 /nfs/dbraw/zinc/18/39/90/180183990.db2.gz JEWVUUQLDGHASM-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@@]23CCOC3=O)n1 ZINC000366454030 180183991 /nfs/dbraw/zinc/18/39/91/180183991.db2.gz JEWVUUQLDGHASM-ZDUSSCGKSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1nccc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000352832020 180184801 /nfs/dbraw/zinc/18/48/01/180184801.db2.gz NOYQDEIXQJRHPZ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cc(C)nc([S@](=O)Cc2[nH+]ccn2C)c1 ZINC000618534873 350213983 /nfs/dbraw/zinc/21/39/83/350213983.db2.gz XROUZITUFCLIPS-QGZVFWFLSA-N 1 2 249.339 1.740 20 0 BDADLO Cc1nccc(C[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000336471646 180186438 /nfs/dbraw/zinc/18/64/38/180186438.db2.gz JOCXLUJLHUJEIQ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nccc(C[N@H+]2CC[C@@](C)(F)C2)n1 ZINC000336471646 180186440 /nfs/dbraw/zinc/18/64/40/180186440.db2.gz JOCXLUJLHUJEIQ-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000353194855 180222331 /nfs/dbraw/zinc/22/23/31/180222331.db2.gz UHLZKMLFPFULLN-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000427598510 191082925 /nfs/dbraw/zinc/08/29/25/191082925.db2.gz FWMSGAMDFLYZKE-RKDXNWHRSA-N 1 2 239.319 1.227 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C23CC(C2)C3)C1 ZINC000626269772 350241523 /nfs/dbraw/zinc/24/15/23/350241523.db2.gz BNUPLIUUKYWYGB-CVZZAPKMSA-N 1 2 245.326 1.536 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N(C2CC2)C2CC2)c1 ZINC000637211041 350276464 /nfs/dbraw/zinc/27/64/64/350276464.db2.gz JIVVWGINFYHLON-UHFFFAOYSA-N 1 2 248.330 1.299 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000617958579 350370061 /nfs/dbraw/zinc/37/00/61/350370061.db2.gz PCABSYAXIUTYNJ-KYZUINATSA-N 1 2 223.276 1.015 20 0 BDADLO C[C@H](CO)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580589 350370933 /nfs/dbraw/zinc/37/09/33/350370933.db2.gz VEAAORNBUGGSED-VIFPVBQESA-N 1 2 248.286 1.084 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000617215870 350386060 /nfs/dbraw/zinc/38/60/60/350386060.db2.gz KKPKFUOQJJHUBN-SUNKGSAMSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(NCC1=CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637286031 350398882 /nfs/dbraw/zinc/39/88/82/350398882.db2.gz UWHNDDWOGFRPLV-LLVKDONJSA-N 1 2 246.314 1.217 20 0 BDADLO CC[N@H+](Cc1ncc(C)o1)[C@@H]1CCOC1 ZINC000336659039 350422762 /nfs/dbraw/zinc/42/27/62/350422762.db2.gz BKRWXSLGXHPCSI-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@@H+](Cc1ncc(C)o1)[C@@H]1CCOC1 ZINC000336659039 350422764 /nfs/dbraw/zinc/42/27/64/350422764.db2.gz BKRWXSLGXHPCSI-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000069862413 350424666 /nfs/dbraw/zinc/42/46/66/350424666.db2.gz IMDWCVVGJHMWKK-AXFHLTTASA-N 1 2 229.320 1.341 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C(C)C)C1COC1 ZINC000295983709 180372982 /nfs/dbraw/zinc/37/29/82/180372982.db2.gz JQSMEXVSTPNQQX-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C(C)C)C1COC1 ZINC000295983709 180372983 /nfs/dbraw/zinc/37/29/83/180372983.db2.gz JQSMEXVSTPNQQX-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO CCCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000428002791 191105791 /nfs/dbraw/zinc/10/57/91/191105791.db2.gz ZQAQUJOSSVJTJY-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO Cc1nn(C)cc1CNc1ccc(CO)c[nH+]1 ZINC000291542867 180375527 /nfs/dbraw/zinc/37/55/27/180375527.db2.gz LMKVKWMIUHDRMM-UHFFFAOYSA-N 1 2 232.287 1.228 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000345356720 180375806 /nfs/dbraw/zinc/37/58/06/180375806.db2.gz OPYYZQXSVZLSCF-SKDRFNHKSA-N 1 2 245.330 1.721 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428001437 191105123 /nfs/dbraw/zinc/10/51/23/191105123.db2.gz PZZHDCFTXZQNHN-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000428002388 191105730 /nfs/dbraw/zinc/10/57/30/191105730.db2.gz WZASRLMLAIGFSQ-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO c1cnc(Nc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000642226479 362962241 /nfs/dbraw/zinc/96/22/41/362962241.db2.gz MMJMVCZRZYKAHA-UHFFFAOYSA-N 1 2 241.298 1.637 20 0 BDADLO C/C=C(\C=C\C(=O)NCCn1cc[nH+]c1)CC ZINC000133440562 191106452 /nfs/dbraw/zinc/10/64/52/191106452.db2.gz VNWPHTMTAYPBNA-JBFKJUGCSA-N 1 2 233.315 1.912 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cscn1)C(C)C ZINC000580695753 365960656 /nfs/dbraw/zinc/96/06/56/365960656.db2.gz ZDVAEZGYCCEOKM-JTQLQIEISA-N 1 2 242.344 1.473 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000637403286 350536765 /nfs/dbraw/zinc/53/67/65/350536765.db2.gz ITIOYVZRDWQBQG-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000637403286 350536769 /nfs/dbraw/zinc/53/67/69/350536769.db2.gz ITIOYVZRDWQBQG-VXGBXAGGSA-N 1 2 242.363 1.354 20 0 BDADLO CC(C)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000337335657 350575474 /nfs/dbraw/zinc/57/54/74/350575474.db2.gz MFKPLSBLYMFLHY-UHFFFAOYSA-N 1 2 248.317 1.736 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)COC)C(=O)OC(C)(C)C ZINC000309408170 323381341 /nfs/dbraw/zinc/38/13/41/323381341.db2.gz BJCYBFUCBXZDIM-VHSXEESVSA-N 1 2 231.336 1.731 20 0 BDADLO C[NH2+]C[C@H](C)CN=c1nc(-c2ccccc2)o[nH]1 ZINC000420194989 192173395 /nfs/dbraw/zinc/17/33/95/192173395.db2.gz JVYSHPAOKZBWPG-JTQLQIEISA-N 1 2 246.314 1.426 20 0 BDADLO C/C=C\CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000637488612 350650952 /nfs/dbraw/zinc/65/09/52/350650952.db2.gz RFVDDVUXWUAZSD-OTDNITJGSA-N 1 2 248.330 1.875 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2ncnn2C)[C@H]1C ZINC000177202726 365986059 /nfs/dbraw/zinc/98/60/59/365986059.db2.gz VFDAHDUBLRBWEC-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2ncnn2C)[C@H]1C ZINC000177202726 365986065 /nfs/dbraw/zinc/98/60/65/365986065.db2.gz VFDAHDUBLRBWEC-DTWKUNHWSA-N 1 2 226.349 1.141 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC[C@H](C)O2)c[nH+]1 ZINC000618579805 350702027 /nfs/dbraw/zinc/70/20/27/350702027.db2.gz ZWJYZIIQRZTWES-WCBMZHEXSA-N 1 2 237.303 1.406 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000177237160 365987054 /nfs/dbraw/zinc/98/70/54/365987054.db2.gz KYDJOUWWAJNOOL-LBPRGKRZSA-N 1 2 249.358 1.943 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000177237160 365987058 /nfs/dbraw/zinc/98/70/58/365987058.db2.gz KYDJOUWWAJNOOL-LBPRGKRZSA-N 1 2 249.358 1.943 20 0 BDADLO C[C@H](O)C[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000571045354 350692903 /nfs/dbraw/zinc/69/29/03/350692903.db2.gz ADPYIYIVWWDEQD-JTQLQIEISA-N 1 2 243.347 1.611 20 0 BDADLO c1ccc(NCCNc2cccnn2)[nH+]c1 ZINC000309545907 350746358 /nfs/dbraw/zinc/74/63/58/350746358.db2.gz IFDUNPWQNOJHTA-UHFFFAOYSA-N 1 2 215.260 1.396 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H](C)CC(C)(C)O ZINC000385051541 350755247 /nfs/dbraw/zinc/75/52/47/350755247.db2.gz SPTYMWMQZUORLR-ZETCQYMHSA-N 1 2 240.307 1.029 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H](C)CC(C)(C)O ZINC000385051541 350755250 /nfs/dbraw/zinc/75/52/50/350755250.db2.gz SPTYMWMQZUORLR-ZETCQYMHSA-N 1 2 240.307 1.029 20 0 BDADLO CC[N@H+](Cc1nc(CC(C)C)no1)[C@@H](C)CO ZINC000339629719 350769697 /nfs/dbraw/zinc/76/96/97/350769697.db2.gz VMVGMSZULJJNOD-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CC[N@@H+](Cc1nc(CC(C)C)no1)[C@@H](C)CO ZINC000339629719 350769701 /nfs/dbraw/zinc/76/97/01/350769701.db2.gz VMVGMSZULJJNOD-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO Cc1nc(C)c(C[NH2+]C2(C(=O)N(C)C)CC2)o1 ZINC000628310561 350796311 /nfs/dbraw/zinc/79/63/11/350796311.db2.gz NJUBSFSZZWNVFO-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO CCCc1csc(C[NH2+]CC(=O)N(C)C)n1 ZINC000336677423 191125203 /nfs/dbraw/zinc/12/52/03/191125203.db2.gz BNUXCUJNBKUGND-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO COc1c(O)cccc1CNc1c[nH]c[nH+]1 ZINC000309904669 350825570 /nfs/dbraw/zinc/82/55/70/350825570.db2.gz JQPFVCZYPZLHTA-UHFFFAOYSA-N 1 2 219.244 1.736 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cnn[nH]2)cc1C ZINC000398283880 351019183 /nfs/dbraw/zinc/01/91/83/351019183.db2.gz AHENUFXWBTUTCU-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1ccc(C[NH2+]Cc2c[nH]nn2)cc1C ZINC000398283880 351019187 /nfs/dbraw/zinc/01/91/87/351019187.db2.gz AHENUFXWBTUTCU-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cn[nH]n2)cc1C ZINC000398283880 351019191 /nfs/dbraw/zinc/01/91/91/351019191.db2.gz AHENUFXWBTUTCU-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000030196296 351066121 /nfs/dbraw/zinc/06/61/21/351066121.db2.gz GCQWUYOISYPTGP-SNVBAGLBSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000030196296 351066124 /nfs/dbraw/zinc/06/61/24/351066124.db2.gz GCQWUYOISYPTGP-SNVBAGLBSA-N 1 2 242.363 1.400 20 0 BDADLO O=C(Nc1ccsc1)N1CCn2c[nH+]cc2C1 ZINC000584343849 351041425 /nfs/dbraw/zinc/04/14/25/351041425.db2.gz PLBNTQMNQFHUMG-UHFFFAOYSA-N 1 2 248.311 1.992 20 0 BDADLO CS[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000382854162 351055448 /nfs/dbraw/zinc/05/54/48/351055448.db2.gz BNSCVUGQKQRASM-JTQLQIEISA-N 1 2 224.329 1.516 20 0 BDADLO Cc1cc(NC(=O)Cc2cccnc2)cc[nH+]1 ZINC000074724748 351072553 /nfs/dbraw/zinc/07/25/53/351072553.db2.gz BZFPGRDYBVIIHZ-UHFFFAOYSA-N 1 2 227.267 1.966 20 0 BDADLO c1nn[nH]c1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000398376499 351124500 /nfs/dbraw/zinc/12/45/00/351124500.db2.gz RFIKTDDQKHBPIU-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO c1[nH]nnc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000398376499 351124503 /nfs/dbraw/zinc/12/45/03/351124503.db2.gz RFIKTDDQKHBPIU-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO c1n[nH]nc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000398376499 351124508 /nfs/dbraw/zinc/12/45/08/351124508.db2.gz RFIKTDDQKHBPIU-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO COc1cc(C)ccc1C[NH2+]Cc1cnn[nH]1 ZINC000623578524 363011304 /nfs/dbraw/zinc/01/13/04/363011304.db2.gz LMEHKHDRNXPNPC-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)CS1 ZINC000623578654 363012016 /nfs/dbraw/zinc/01/20/16/363012016.db2.gz RGWOWOATAJSKQX-HTQZYQBOSA-N 1 2 212.322 1.178 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)CS1 ZINC000623578654 363012020 /nfs/dbraw/zinc/01/20/20/363012020.db2.gz RGWOWOATAJSKQX-HTQZYQBOSA-N 1 2 212.322 1.178 20 0 BDADLO CC1(C)C[N@H+](Cc2cnns2)CC[C@H]1O ZINC000379871648 351170466 /nfs/dbraw/zinc/17/04/66/351170466.db2.gz QSJCNXGSMGFMPM-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnns2)CC[C@H]1O ZINC000379871648 351170468 /nfs/dbraw/zinc/17/04/68/351170468.db2.gz QSJCNXGSMGFMPM-SECBINFHSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1cnn[nH]1 ZINC000623578745 363012675 /nfs/dbraw/zinc/01/26/75/363012675.db2.gz WLYCIKFGWKZMQM-UHFFFAOYSA-N 1 2 234.307 1.180 20 0 BDADLO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC000398391977 351130307 /nfs/dbraw/zinc/13/03/07/351130307.db2.gz KMHNZPKGODYIGQ-VHSXEESVSA-N 1 2 208.309 1.721 20 0 BDADLO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC000398391977 351130310 /nfs/dbraw/zinc/13/03/10/351130310.db2.gz KMHNZPKGODYIGQ-VHSXEESVSA-N 1 2 208.309 1.721 20 0 BDADLO COc1ccc([C@H]2COCC[N@@H+]2CCO)cc1 ZINC000616636990 351131573 /nfs/dbraw/zinc/13/15/73/351131573.db2.gz IUJQNPWJYLVNLS-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO COc1ccc([C@H]2COCC[N@H+]2CCO)cc1 ZINC000616636990 351131574 /nfs/dbraw/zinc/13/15/74/351131574.db2.gz IUJQNPWJYLVNLS-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398411052 351141181 /nfs/dbraw/zinc/14/11/81/351141181.db2.gz SWTVEOUWGAXWLQ-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1cccc(C[NH2+]Cc2c[nH]nn2)c1 ZINC000398411052 351141182 /nfs/dbraw/zinc/14/11/82/351141182.db2.gz SWTVEOUWGAXWLQ-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cn[nH]n2)c1 ZINC000398411052 351141184 /nfs/dbraw/zinc/14/11/84/351141184.db2.gz SWTVEOUWGAXWLQ-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)[C@@H](C)CO1 ZINC000628324431 351236754 /nfs/dbraw/zinc/23/67/54/351236754.db2.gz SQIYLXCCOOFWBA-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1CCCCC1 ZINC000072615555 351300056 /nfs/dbraw/zinc/30/00/56/351300056.db2.gz NIDFBPQTLSADFW-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000379994771 351307426 /nfs/dbraw/zinc/30/74/26/351307426.db2.gz VKVIIPONAMLCFI-NQMVMOMDSA-N 1 2 235.335 1.829 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)[nH+]1 ZINC000379994771 351307430 /nfs/dbraw/zinc/30/74/30/351307430.db2.gz VKVIIPONAMLCFI-NQMVMOMDSA-N 1 2 235.335 1.829 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CSC ZINC000265270737 351267171 /nfs/dbraw/zinc/26/71/71/351267171.db2.gz XABJBSCKYGAPSS-UHFFFAOYSA-N 1 2 210.302 1.946 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@](C)(C3CC3)C2)[nH+]1 ZINC000628337342 351280251 /nfs/dbraw/zinc/28/02/51/351280251.db2.gz CQWUDWZNNLYHOD-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cnccc1C ZINC000269703630 351365952 /nfs/dbraw/zinc/36/59/52/351365952.db2.gz RXGAETGJMFCYMZ-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnccc1C ZINC000269703630 351365957 /nfs/dbraw/zinc/36/59/57/351365957.db2.gz RXGAETGJMFCYMZ-GFCCVEGCSA-N 1 2 233.315 1.100 20 0 BDADLO CCc1cc(NC[C@@H](C)COC)nc[nH+]1 ZINC000041674413 351559663 /nfs/dbraw/zinc/55/96/63/351559663.db2.gz VTQVSAWRVBOAPR-SECBINFHSA-N 1 2 209.293 1.733 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccc(=O)[nH]c1)C2 ZINC000637815220 351653903 /nfs/dbraw/zinc/65/39/03/351653903.db2.gz FMIQITYUVAWYAX-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cnc2c1CC[N@H+](Cc1ccc(=O)[nH]c1)C2 ZINC000637815220 351653907 /nfs/dbraw/zinc/65/39/07/351653907.db2.gz FMIQITYUVAWYAX-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cnc2c1CC[N@@H+](Cc1ccc(=O)[nH]c1)C2 ZINC000637815220 351653909 /nfs/dbraw/zinc/65/39/09/351653909.db2.gz FMIQITYUVAWYAX-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637830689 351680030 /nfs/dbraw/zinc/68/00/30/351680030.db2.gz ZRSXZMFAKZEGTL-SNVBAGLBSA-N 1 2 237.303 1.230 20 0 BDADLO CCN1CC[NH+](CCc2cccc(C)n2)CC1 ZINC000577747230 366051847 /nfs/dbraw/zinc/05/18/47/366051847.db2.gz BZVXUFOLPMXNDB-UHFFFAOYSA-N 1 2 233.359 1.570 20 0 BDADLO Cc1scc(C[N@@H+]2CCNC(=O)C2)c1C ZINC000637850279 351707454 /nfs/dbraw/zinc/70/74/54/351707454.db2.gz WEQORDKFHRRHIY-UHFFFAOYSA-N 1 2 224.329 1.297 20 0 BDADLO Cc1scc(C[N@H+]2CCNC(=O)C2)c1C ZINC000637850279 351707455 /nfs/dbraw/zinc/70/74/55/351707455.db2.gz WEQORDKFHRRHIY-UHFFFAOYSA-N 1 2 224.329 1.297 20 0 BDADLO CC[C@H](O)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000577710005 366041223 /nfs/dbraw/zinc/04/12/23/366041223.db2.gz CRWIKFHEHYHTGS-JTQLQIEISA-N 1 2 237.303 1.013 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637882894 351750474 /nfs/dbraw/zinc/75/04/74/351750474.db2.gz JDJJSYNDQZORBU-CMPLNLGQSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637882894 351750479 /nfs/dbraw/zinc/75/04/79/351750479.db2.gz JDJJSYNDQZORBU-CMPLNLGQSA-N 1 2 235.331 1.592 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2Cc2cnccn2)[nH]1 ZINC000577811164 366066860 /nfs/dbraw/zinc/06/68/60/366066860.db2.gz BMBYMYBAGNXDJW-GFCCVEGCSA-N 1 2 243.314 1.927 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1ccco1 ZINC000607629379 351787188 /nfs/dbraw/zinc/78/71/88/351787188.db2.gz XYRGJZCHNGNMTP-GHMZBOCLSA-N 1 2 247.298 1.785 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)c(F)c1 ZINC000335869806 538101356 /nfs/dbraw/zinc/10/13/56/538101356.db2.gz ZJYXNJHNBYEFIT-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000124547975 191143027 /nfs/dbraw/zinc/14/30/27/191143027.db2.gz QPHVKWQUXQCOCH-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000124547975 191143029 /nfs/dbraw/zinc/14/30/29/191143029.db2.gz QPHVKWQUXQCOCH-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC2(CO)CC2)s1 ZINC000338342221 191141956 /nfs/dbraw/zinc/14/19/56/191141956.db2.gz HSPAYARMXGKQLW-MRVPVSSYSA-N 1 2 241.360 1.612 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC2(CO)CC2)s1 ZINC000338342221 191141960 /nfs/dbraw/zinc/14/19/60/191141960.db2.gz HSPAYARMXGKQLW-MRVPVSSYSA-N 1 2 241.360 1.612 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000618868704 351884512 /nfs/dbraw/zinc/88/45/12/351884512.db2.gz OJSFWQUJSVBCDE-JTQLQIEISA-N 1 2 207.277 1.188 20 0 BDADLO c1cc(CN2CCn3cc[nH+]c3C2)sn1 ZINC000638012109 351890087 /nfs/dbraw/zinc/89/00/87/351890087.db2.gz FWERABMVMRGRCA-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO OCC[N@H+](Cc1ccns1)Cc1cccnc1 ZINC000638028626 351911287 /nfs/dbraw/zinc/91/12/87/351911287.db2.gz MIRHMJAAXYICRO-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO OCC[N@@H+](Cc1ccns1)Cc1cccnc1 ZINC000638028626 351911293 /nfs/dbraw/zinc/91/12/93/351911293.db2.gz MIRHMJAAXYICRO-UHFFFAOYSA-N 1 2 249.339 1.533 20 0 BDADLO CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000618871489 351952898 /nfs/dbraw/zinc/95/28/98/351952898.db2.gz MIWLATMVICGHLO-SNVBAGLBSA-N 1 2 221.304 1.647 20 0 BDADLO CC[NH+]1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000282989023 351953727 /nfs/dbraw/zinc/95/37/27/351953727.db2.gz LAJLYTMTAZAUIX-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO C[C@@H]1OCC[N@H+]([C@H](c2nccn2C)C2CC2)[C@H]1C ZINC000638084423 351959983 /nfs/dbraw/zinc/95/99/83/351959983.db2.gz LKQHHGSLXXYGMW-GVXVVHGQSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1OCC[N@@H+]([C@H](c2nccn2C)C2CC2)[C@H]1C ZINC000638084423 351959986 /nfs/dbraw/zinc/95/99/86/351959986.db2.gz LKQHHGSLXXYGMW-GVXVVHGQSA-N 1 2 249.358 1.980 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccns2)[C@H](C)C1 ZINC000638094509 351974539 /nfs/dbraw/zinc/97/45/39/351974539.db2.gz UTAVJYHTQFVXEI-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccns2)[C@H](C)C1 ZINC000638094509 351974540 /nfs/dbraw/zinc/97/45/40/351974540.db2.gz UTAVJYHTQFVXEI-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)sn1 ZINC000638102521 351981667 /nfs/dbraw/zinc/98/16/67/351981667.db2.gz IJCPULYVVKIFQN-JTQLQIEISA-N 1 2 239.344 1.114 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)sn1 ZINC000638102521 351981668 /nfs/dbraw/zinc/98/16/68/351981668.db2.gz IJCPULYVVKIFQN-JTQLQIEISA-N 1 2 239.344 1.114 20 0 BDADLO C[N@H+](Cc1nccs1)Cc1ccc(=O)[nH]c1 ZINC000638108004 351986056 /nfs/dbraw/zinc/98/60/56/351986056.db2.gz ZXWNCQRVDPRPSO-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1nccs1)Cc1ccc(=O)[nH]c1 ZINC000638108004 351986057 /nfs/dbraw/zinc/98/60/57/351986057.db2.gz ZXWNCQRVDPRPSO-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[C@H]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073045564 351986450 /nfs/dbraw/zinc/98/64/50/351986450.db2.gz DGINHUFBBDSNGY-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000252749408 538101986 /nfs/dbraw/zinc/10/19/86/538101986.db2.gz ANXOOWREKVYEIX-SBMIAAHKSA-N 1 2 225.336 1.776 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000286907606 352107208 /nfs/dbraw/zinc/10/72/08/352107208.db2.gz CSDFQCXGEZAEDA-SECBINFHSA-N 1 2 207.277 1.188 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000287080840 352113068 /nfs/dbraw/zinc/11/30/68/352113068.db2.gz KMPKUGOOLYJGFD-FSIBCCDJSA-N 1 2 219.288 1.728 20 0 BDADLO Cc1nc([C@@H](C)N2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000411143778 191162719 /nfs/dbraw/zinc/16/27/19/191162719.db2.gz NIUWXGWVUDQJKD-SNVBAGLBSA-N 1 2 237.351 1.200 20 0 BDADLO CC1([NH2+]Cc2ccncc2Cl)COC1 ZINC000630072284 363154459 /nfs/dbraw/zinc/15/44/59/363154459.db2.gz DZGNSPAWSDBAAW-UHFFFAOYSA-N 1 2 212.680 1.614 20 0 BDADLO Cc1cnc(CNCc2[nH+]ccn2C)s1 ZINC000230686837 352243007 /nfs/dbraw/zinc/24/30/07/352243007.db2.gz FPOFSIOAXZXPPF-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1cncs1 ZINC000411225070 191170468 /nfs/dbraw/zinc/17/04/68/191170468.db2.gz GIGBTGFMKCXNBG-UHFFFAOYSA-N 1 2 228.317 1.227 20 0 BDADLO CCc1cc(N(C)CC2N=NC(=O)O2)nc(C)[nH+]1 ZINC000425287627 191177366 /nfs/dbraw/zinc/17/73/66/191177366.db2.gz WKPMPKQHLMGDDZ-UHFFFAOYSA-N 1 2 249.274 1.072 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798900 191212249 /nfs/dbraw/zinc/21/22/49/191212249.db2.gz XULDXOHPGRAQPO-ICCXJUOJSA-N 1 2 248.301 1.502 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798900 191212252 /nfs/dbraw/zinc/21/22/52/191212252.db2.gz XULDXOHPGRAQPO-ICCXJUOJSA-N 1 2 248.301 1.502 20 0 BDADLO Cn1cc[nH+]c1CNc1ccnc2c1cnn2C ZINC000287995721 180748593 /nfs/dbraw/zinc/74/85/93/180748593.db2.gz RVUMBCWFNXTQBM-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO C[N@H+](Cc1nc2ccccc2[nH]1)C(C)(C)C(N)=O ZINC000411772107 191210227 /nfs/dbraw/zinc/21/02/27/191210227.db2.gz QBWPLKJSWJOOSJ-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO C[N@@H+](Cc1nc2ccccc2[nH]1)C(C)(C)C(N)=O ZINC000411772107 191210230 /nfs/dbraw/zinc/21/02/30/191210230.db2.gz QBWPLKJSWJOOSJ-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO C[C@@H](O)C[N@H+](CCC1(O)CCC1)CC(F)F ZINC000411794406 191211943 /nfs/dbraw/zinc/21/19/43/191211943.db2.gz PHIYGWMAKTXXFL-SECBINFHSA-N 1 2 237.290 1.239 20 0 BDADLO C[C@@H](O)C[N@@H+](CCC1(O)CCC1)CC(F)F ZINC000411794406 191211946 /nfs/dbraw/zinc/21/19/46/191211946.db2.gz PHIYGWMAKTXXFL-SECBINFHSA-N 1 2 237.290 1.239 20 0 BDADLO CC(C)C[N@H+](CC(N)=O)Cc1cscn1 ZINC000298706050 352511185 /nfs/dbraw/zinc/51/11/85/352511185.db2.gz JBJIISRYCWAALA-UHFFFAOYSA-N 1 2 227.333 1.086 20 0 BDADLO CC(C)C[N@@H+](CC(N)=O)Cc1cscn1 ZINC000298706050 352511187 /nfs/dbraw/zinc/51/11/87/352511187.db2.gz JBJIISRYCWAALA-UHFFFAOYSA-N 1 2 227.333 1.086 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)n1 ZINC000411841912 191216353 /nfs/dbraw/zinc/21/63/53/191216353.db2.gz GIQINSNEJFGABI-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)n1 ZINC000411841912 191216354 /nfs/dbraw/zinc/21/63/54/191216354.db2.gz GIQINSNEJFGABI-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO COc1cc(C)ccc1C[NH2+]Cc1ncnn1C ZINC000638759179 352690944 /nfs/dbraw/zinc/69/09/44/352690944.db2.gz GKIJDVHDOKFOLD-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CO[C@@H](CNc1ccc(C)[nH+]c1)[C@@H]1CCOC1 ZINC000638761866 352699509 /nfs/dbraw/zinc/69/95/09/352699509.db2.gz MKPBSAMBACALQV-YPMHNXCESA-N 1 2 236.315 1.853 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412045193 191244612 /nfs/dbraw/zinc/24/46/12/191244612.db2.gz RLYHPYSODAIVPB-VHSXEESVSA-N 1 2 226.299 1.651 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412045193 191244614 /nfs/dbraw/zinc/24/46/14/191244614.db2.gz RLYHPYSODAIVPB-VHSXEESVSA-N 1 2 226.299 1.651 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCc3cn[nH]c3C2)o1 ZINC000638743649 352676793 /nfs/dbraw/zinc/67/67/93/352676793.db2.gz MNEGBVYMRNNONC-JTQLQIEISA-N 1 2 232.287 1.353 20 0 BDADLO Clc1cncnc1NCCNc1cccc[nH+]1 ZINC000344946526 538105212 /nfs/dbraw/zinc/10/52/12/538105212.db2.gz WSUOXXRSYDDTSQ-UHFFFAOYSA-N 1 2 249.705 1.471 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc[nH]n1 ZINC000334186273 352775685 /nfs/dbraw/zinc/77/56/85/352775685.db2.gz FSMXMIHZZBXFKM-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc[nH]n1 ZINC000334186273 352775687 /nfs/dbraw/zinc/77/56/87/352775687.db2.gz FSMXMIHZZBXFKM-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO CO[C@H](CNc1c[nH+]cc(C)c1)[C@@H]1CCOC1 ZINC000638787514 352743273 /nfs/dbraw/zinc/74/32/73/352743273.db2.gz IOWLQKSLITZVDG-DGCLKSJQSA-N 1 2 236.315 1.853 20 0 BDADLO c1cc(N2C[C@H]3CC[C@@H](C2)O3)nc(C2CC2)[nH+]1 ZINC000342437994 352746984 /nfs/dbraw/zinc/74/69/84/352746984.db2.gz PDOWEDOYHHADCG-PHIMTYICSA-N 1 2 231.299 1.722 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086935081 352747569 /nfs/dbraw/zinc/74/75/69/352747569.db2.gz VZCARBHSKPUGAP-BIIVOSGPSA-N 1 2 203.307 1.032 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)nn1 ZINC000334181056 352769126 /nfs/dbraw/zinc/76/91/26/352769126.db2.gz CSXOSZMFVPULKO-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)nn1 ZINC000334181056 352769127 /nfs/dbraw/zinc/76/91/27/352769127.db2.gz CSXOSZMFVPULKO-CYBMUJFWSA-N 1 2 245.330 1.491 20 0 BDADLO O=C(CC(F)(F)F)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334215567 352815387 /nfs/dbraw/zinc/81/53/87/352815387.db2.gz BUJUWYLWCLRBOU-ZCFIWIBFSA-N 1 2 247.220 1.336 20 0 BDADLO O=C(CC(F)(F)F)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334215567 352815390 /nfs/dbraw/zinc/81/53/90/352815390.db2.gz BUJUWYLWCLRBOU-ZCFIWIBFSA-N 1 2 247.220 1.336 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000334220968 352823816 /nfs/dbraw/zinc/82/38/16/352823816.db2.gz WBVCALQXAPTHCY-DTWKUNHWSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000334220968 352823820 /nfs/dbraw/zinc/82/38/20/352823820.db2.gz WBVCALQXAPTHCY-DTWKUNHWSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H]1CC[N@H+](CCC(=O)N(C)C)CC1(F)F ZINC000334194700 352786632 /nfs/dbraw/zinc/78/66/32/352786632.db2.gz VJACZVNTDXSKSH-VIFPVBQESA-N 1 2 234.290 1.442 20 0 BDADLO C[C@H]1CC[N@@H+](CCC(=O)N(C)C)CC1(F)F ZINC000334194700 352786635 /nfs/dbraw/zinc/78/66/35/352786635.db2.gz VJACZVNTDXSKSH-VIFPVBQESA-N 1 2 234.290 1.442 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1C(F)F ZINC000334200255 352793371 /nfs/dbraw/zinc/79/33/71/352793371.db2.gz NYIVZCAUJBUCMS-VIFPVBQESA-N 1 2 243.257 1.529 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC[C@H](F)C2)cc[nH+]1 ZINC000334236385 352854736 /nfs/dbraw/zinc/85/47/36/352854736.db2.gz HUMFZGWKCPJCFK-UWVGGRQHSA-N 1 2 237.278 1.824 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(OC)c2)CCO1 ZINC000342859448 352878098 /nfs/dbraw/zinc/87/80/98/352878098.db2.gz QNOONGUXHXPMNL-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(OC)c2)CCO1 ZINC000342859448 352878102 /nfs/dbraw/zinc/87/81/02/352878102.db2.gz QNOONGUXHXPMNL-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)sn1 ZINC000334259572 352871093 /nfs/dbraw/zinc/87/10/93/352871093.db2.gz UPKBGIIAONAMSS-ZCFIWIBFSA-N 1 2 247.270 1.387 20 0 BDADLO Cn1cc(C[N@@H+]2CCCc3occc3C2)nn1 ZINC000334245950 352836030 /nfs/dbraw/zinc/83/60/30/352836030.db2.gz GWQYYBAHKKLQNI-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO Cn1cc(C[N@H+]2CCCc3occc3C2)nn1 ZINC000334245950 352836034 /nfs/dbraw/zinc/83/60/34/352836034.db2.gz GWQYYBAHKKLQNI-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nn1 ZINC000334247134 352838137 /nfs/dbraw/zinc/83/81/37/352838137.db2.gz KAFDRTGKDGRGDO-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)nn1 ZINC000334247134 352838139 /nfs/dbraw/zinc/83/81/39/352838139.db2.gz KAFDRTGKDGRGDO-SECBINFHSA-N 1 2 248.355 1.996 20 0 BDADLO CCc1ncc(C[N@@H+]2CCN(C)C[C@H]2C)s1 ZINC000334249338 352842735 /nfs/dbraw/zinc/84/27/35/352842735.db2.gz VESLGZGPCXGZGS-SNVBAGLBSA-N 1 2 239.388 1.841 20 0 BDADLO CCc1ncc(C[N@H+]2CCN(C)C[C@H]2C)s1 ZINC000334249338 352842738 /nfs/dbraw/zinc/84/27/38/352842738.db2.gz VESLGZGPCXGZGS-SNVBAGLBSA-N 1 2 239.388 1.841 20 0 BDADLO CC(C)N1CCC[C@@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000334272319 352909047 /nfs/dbraw/zinc/90/90/47/352909047.db2.gz IMAOFIKTFJPUDH-GFCCVEGCSA-N 1 2 240.322 1.945 20 0 BDADLO CC(C)N1CCC[C@@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000334272319 352909049 /nfs/dbraw/zinc/90/90/49/352909049.db2.gz IMAOFIKTFJPUDH-GFCCVEGCSA-N 1 2 240.322 1.945 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cnccn2)ccn1 ZINC000342864733 352881427 /nfs/dbraw/zinc/88/14/27/352881427.db2.gz PQQFXUHCIUDNAT-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cnccn2)ccn1 ZINC000342864733 352881428 /nfs/dbraw/zinc/88/14/28/352881428.db2.gz PQQFXUHCIUDNAT-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCn2ccnc2C1 ZINC000334311574 352942752 /nfs/dbraw/zinc/94/27/52/352942752.db2.gz GSAAQTZOHAKADN-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCn2ccnc2C1 ZINC000334311574 352942755 /nfs/dbraw/zinc/94/27/55/352942755.db2.gz GSAAQTZOHAKADN-UHFFFAOYSA-N 1 2 245.330 1.249 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CSC1(C)C ZINC000328772218 180825341 /nfs/dbraw/zinc/82/53/41/180825341.db2.gz DGSBRDSLPKRJAL-MRVPVSSYSA-N 1 2 249.343 1.669 20 0 BDADLO CC1CCC(O)(C[NH+]2CC(F)C2)CC1 ZINC000334394246 353066373 /nfs/dbraw/zinc/06/63/73/353066373.db2.gz AVXQMTYYYYDGBU-UHFFFAOYSA-N 1 2 201.285 1.581 20 0 BDADLO CC[N@H+](CCC(F)(F)F)Cc1cnnn1C ZINC000092737644 538107807 /nfs/dbraw/zinc/10/78/07/538107807.db2.gz OWNGYSYIDFXOOA-UHFFFAOYSA-N 1 2 236.241 1.589 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)Cc1cnnn1C ZINC000092737644 538107808 /nfs/dbraw/zinc/10/78/08/538107808.db2.gz OWNGYSYIDFXOOA-UHFFFAOYSA-N 1 2 236.241 1.589 20 0 BDADLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(N)=O)CC2 ZINC000334430321 353105229 /nfs/dbraw/zinc/10/52/29/353105229.db2.gz ZZZTZHZODDHWQL-UHFFFAOYSA-N 1 2 246.310 1.825 20 0 BDADLO CC(=O)c1ccc2c(c1)CC[N@H+](CC(N)=O)CC2 ZINC000334430321 353105232 /nfs/dbraw/zinc/10/52/32/353105232.db2.gz ZZZTZHZODDHWQL-UHFFFAOYSA-N 1 2 246.310 1.825 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC[C@@]2(C)CO)cc[nH+]1 ZINC000608090081 353110280 /nfs/dbraw/zinc/11/02/80/353110280.db2.gz ZCCSLXAVJABXHE-RISCZKNCSA-N 1 2 249.358 1.985 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@](C)(F)C1 ZINC000334418125 353101195 /nfs/dbraw/zinc/10/11/95/353101195.db2.gz YMAILALIYSCKAO-NSHDSACASA-N 1 2 240.282 1.064 20 0 BDADLO Cn1ncnc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000638975392 353182509 /nfs/dbraw/zinc/18/25/09/353182509.db2.gz YYWDYKBXZUCJMK-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO FC(F)(F)OCCNc1cc[nH+]c(C2CC2)n1 ZINC000352589667 180887939 /nfs/dbraw/zinc/88/79/39/180887939.db2.gz ULRNJXBXLCDHQE-UHFFFAOYSA-N 1 2 247.220 1.724 20 0 BDADLO CC[C@H](COC)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134568480 538113492 /nfs/dbraw/zinc/11/34/92/538113492.db2.gz HZSSORMNJJZRAN-PSASIEDQSA-N 1 2 211.309 1.794 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCCOC2)cc[nH+]1 ZINC000343264809 353276187 /nfs/dbraw/zinc/27/61/87/353276187.db2.gz MASVALJLBPPNLJ-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO O=C(CC1CCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000608125210 353262896 /nfs/dbraw/zinc/26/28/96/353262896.db2.gz QCLZSIHFWBNWOQ-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134562762 538113335 /nfs/dbraw/zinc/11/33/35/538113335.db2.gz ANXOOWREKVYEIX-AUTRQRHGSA-N 1 2 225.336 1.776 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000343261945 353269892 /nfs/dbraw/zinc/26/98/92/353269892.db2.gz CWUIGHAKIZOLBS-USWWRNFRSA-N 1 2 248.326 1.723 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000343261945 353269895 /nfs/dbraw/zinc/26/98/95/353269895.db2.gz CWUIGHAKIZOLBS-USWWRNFRSA-N 1 2 248.326 1.723 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@H]2CCCOC2)[nH+]1 ZINC000343270598 353290066 /nfs/dbraw/zinc/29/00/66/353290066.db2.gz NEZJPPCJLORXGS-JTQLQIEISA-N 1 2 246.314 1.882 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H](CO)O1 ZINC000230005300 353420866 /nfs/dbraw/zinc/42/08/66/353420866.db2.gz UMSGJGPGBVAJBN-ZJUUUORDSA-N 1 2 247.298 1.149 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)sn1 ZINC000639086113 353435005 /nfs/dbraw/zinc/43/50/05/353435005.db2.gz MRTTXLKKRLYYKQ-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)sn1 ZINC000639086113 353435007 /nfs/dbraw/zinc/43/50/07/353435007.db2.gz MRTTXLKKRLYYKQ-IUCAKERBSA-N 1 2 230.308 1.356 20 0 BDADLO CCc1nc(C[NH2+][C@]2(C)CCO[C@@H]2C)no1 ZINC000336778164 353506694 /nfs/dbraw/zinc/50/66/94/353506694.db2.gz KNKZHGDSSOFDKN-LDYMZIIASA-N 1 2 225.292 1.289 20 0 BDADLO CCC[C@H](C[N@@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639098149 353496973 /nfs/dbraw/zinc/49/69/73/353496973.db2.gz HHIAHHIASHMFMZ-WDEREUQCSA-N 1 2 238.335 1.470 20 0 BDADLO CCC[C@H](C[N@H+]1CCn2cnnc2[C@@H]1C)OC ZINC000639098149 353496975 /nfs/dbraw/zinc/49/69/75/353496975.db2.gz HHIAHHIASHMFMZ-WDEREUQCSA-N 1 2 238.335 1.470 20 0 BDADLO CCN(CC(C)C)C(=O)NCCn1cc[nH+]c1 ZINC000193206928 353577116 /nfs/dbraw/zinc/57/71/16/353577116.db2.gz AXFRFVXASSOJNQ-UHFFFAOYSA-N 1 2 238.335 1.571 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)on1 ZINC000053400775 363243396 /nfs/dbraw/zinc/24/33/96/363243396.db2.gz CMXPPFYKBOOPLD-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2)on1 ZINC000053400775 363243400 /nfs/dbraw/zinc/24/34/00/363243400.db2.gz CMXPPFYKBOOPLD-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO O=C1N=NC(SCCC[NH+]2CCCCC2)N1 ZINC000194622439 353688239 /nfs/dbraw/zinc/68/82/39/353688239.db2.gz ZKOLCCUMNIRNIV-UHFFFAOYSA-N 1 2 242.348 1.478 20 0 BDADLO O=c1[nH]nc(SCCC[NH+]2CCCCC2)[nH]1 ZINC000194622439 353688242 /nfs/dbraw/zinc/68/82/42/353688242.db2.gz ZKOLCCUMNIRNIV-UHFFFAOYSA-N 1 2 242.348 1.478 20 0 BDADLO Cc1nn(C)cc1Nc1cc(C)[nH+]c(C)n1 ZINC000232170168 353698791 /nfs/dbraw/zinc/69/87/91/353698791.db2.gz CUABFHGPQMJQBZ-UHFFFAOYSA-N 1 2 217.276 1.879 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)c2nccn21 ZINC000379139148 353703555 /nfs/dbraw/zinc/70/35/55/353703555.db2.gz FBFAYCHDHRDPRD-WCBMZHEXSA-N 1 2 217.276 1.402 20 0 BDADLO C[C@H]1C[C@@H](NCc2cc[nH]n2)c2[nH+]ccn21 ZINC000379139148 353703559 /nfs/dbraw/zinc/70/35/59/353703559.db2.gz FBFAYCHDHRDPRD-WCBMZHEXSA-N 1 2 217.276 1.402 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)c2nccn21 ZINC000379139149 353703688 /nfs/dbraw/zinc/70/36/88/353703688.db2.gz FBFAYCHDHRDPRD-WPRPVWTQSA-N 1 2 217.276 1.402 20 0 BDADLO C[C@H]1C[C@H](NCc2cc[nH]n2)c2[nH+]ccn21 ZINC000379139149 353703692 /nfs/dbraw/zinc/70/36/92/353703692.db2.gz FBFAYCHDHRDPRD-WPRPVWTQSA-N 1 2 217.276 1.402 20 0 BDADLO Fc1cccc(F)c1C[NH2+]CCc1nc[nH]n1 ZINC000080601758 181000862 /nfs/dbraw/zinc/00/08/62/181000862.db2.gz CJQQIIZYZQHIOB-UHFFFAOYSA-N 1 2 238.241 1.415 20 0 BDADLO COC[C@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528393359 324219537 /nfs/dbraw/zinc/21/95/37/324219537.db2.gz WAWLBEXAGCSNKL-OTVCUZDGSA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528393359 324219540 /nfs/dbraw/zinc/21/95/40/324219540.db2.gz WAWLBEXAGCSNKL-OTVCUZDGSA-N 1 2 219.712 1.476 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](CCO)CC(F)F)OC ZINC000639122748 353778089 /nfs/dbraw/zinc/77/80/89/353778089.db2.gz FFLJOQNLWBIXDZ-UWVGGRQHSA-N 1 2 239.306 1.607 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](CCO)CC(F)F)OC ZINC000639122748 353778092 /nfs/dbraw/zinc/77/80/92/353778092.db2.gz FFLJOQNLWBIXDZ-UWVGGRQHSA-N 1 2 239.306 1.607 20 0 BDADLO CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178351767 366116457 /nfs/dbraw/zinc/11/64/57/366116457.db2.gz JHMMXHBFVAPILS-UHFFFAOYSA-N 1 2 203.245 1.361 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)CS1 ZINC000639125998 353827769 /nfs/dbraw/zinc/82/77/69/353827769.db2.gz ACTZPXNGNUHNKP-VXNVDRBHSA-N 1 2 239.344 1.931 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C(F)F ZINC000343376382 353874251 /nfs/dbraw/zinc/87/42/51/353874251.db2.gz LVQCMRILSBCBPI-SECBINFHSA-N 1 2 243.257 1.529 20 0 BDADLO O=C1CCCN1[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000334524621 353896010 /nfs/dbraw/zinc/89/60/10/353896010.db2.gz OKEZAOPGFCIHCD-NSHDSACASA-N 1 2 231.299 1.283 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000334529739 353906285 /nfs/dbraw/zinc/90/62/85/353906285.db2.gz VYTDLVOTWQQTGB-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000334529739 353906288 /nfs/dbraw/zinc/90/62/88/353906288.db2.gz VYTDLVOTWQQTGB-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO Cc1nc(NCc2cnn3ccccc23)cc[nH+]1 ZINC000343623402 353946797 /nfs/dbraw/zinc/94/67/97/353946797.db2.gz IXCAXMZGVRBHQC-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1C(F)F ZINC000343750191 353972126 /nfs/dbraw/zinc/97/21/26/353972126.db2.gz ATJKOCKLPBKLHR-IYSWYEEDSA-N 1 2 239.229 1.429 20 0 BDADLO C[C@@H](C[NH+](C)C)N=c1nc(-c2ccccc2)o[nH]1 ZINC000343787060 353992351 /nfs/dbraw/zinc/99/23/51/353992351.db2.gz CFLCFOCUYCRRNI-JTQLQIEISA-N 1 2 246.314 1.521 20 0 BDADLO O=C1NCCC[C@@H]1Sc1[nH+]cc2ccccn21 ZINC000334552281 353993326 /nfs/dbraw/zinc/99/33/26/353993326.db2.gz QDWRCXUTKLFWOQ-JTQLQIEISA-N 1 2 247.323 1.705 20 0 BDADLO CO[C@@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC000343793726 353998672 /nfs/dbraw/zinc/99/86/72/353998672.db2.gz UWXWBQLHDQTNEO-QMMMGPOBSA-N 1 2 223.320 1.873 20 0 BDADLO CN1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1=O ZINC000334557443 354004305 /nfs/dbraw/zinc/00/43/05/354004305.db2.gz GRIKXYMPHZEGNV-QWHCGFSZSA-N 1 2 248.301 1.456 20 0 BDADLO CN1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1=O ZINC000334557443 354004308 /nfs/dbraw/zinc/00/43/08/354004308.db2.gz GRIKXYMPHZEGNV-QWHCGFSZSA-N 1 2 248.301 1.456 20 0 BDADLO CCC(CC)([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC000343808087 354010383 /nfs/dbraw/zinc/01/03/83/354010383.db2.gz JAZVSPSHIZTZKO-JTQLQIEISA-N 1 2 245.363 1.715 20 0 BDADLO CCc1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000334550326 354018346 /nfs/dbraw/zinc/01/83/46/354018346.db2.gz FNJQVTZATKAQPM-PHIMTYICSA-N 1 2 236.315 1.909 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000334550326 354018350 /nfs/dbraw/zinc/01/83/50/354018350.db2.gz FNJQVTZATKAQPM-PHIMTYICSA-N 1 2 236.315 1.909 20 0 BDADLO COc1cncc(C[NH+]2CC3(C2)CCCO3)c1C ZINC000630079052 363286907 /nfs/dbraw/zinc/28/69/07/363286907.db2.gz ZCJFAZLSOWQANJ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)C(C)(C)C ZINC000343972122 354077474 /nfs/dbraw/zinc/07/74/74/354077474.db2.gz ONDKXSCLSXUJBB-JTQLQIEISA-N 1 2 245.363 1.667 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)C(C)(C)C ZINC000343972122 354077476 /nfs/dbraw/zinc/07/74/76/354077476.db2.gz ONDKXSCLSXUJBB-JTQLQIEISA-N 1 2 245.363 1.667 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000280568460 188562198 /nfs/dbraw/zinc/56/21/98/188562198.db2.gz QXESVKOXTBFKLL-ZYHUDNBSSA-N 1 2 235.331 1.658 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CC=CCC1 ZINC000344032876 354096584 /nfs/dbraw/zinc/09/65/84/354096584.db2.gz FAMNDTYFNPKBDS-VIFPVBQESA-N 1 2 222.292 1.298 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C[C@H]1CC=CCC1 ZINC000344032876 354096587 /nfs/dbraw/zinc/09/65/87/354096587.db2.gz FAMNDTYFNPKBDS-VIFPVBQESA-N 1 2 222.292 1.298 20 0 BDADLO C[C@H](F)CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084150 354136355 /nfs/dbraw/zinc/13/63/55/354136355.db2.gz FVSHPEVQAXMYER-IUCAKERBSA-N 1 2 242.298 1.438 20 0 BDADLO C[C@H](F)CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344084150 354136357 /nfs/dbraw/zinc/13/63/57/354136357.db2.gz FVSHPEVQAXMYER-IUCAKERBSA-N 1 2 242.298 1.438 20 0 BDADLO CC[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082389 354136383 /nfs/dbraw/zinc/13/63/83/354136383.db2.gz DGBPVWCMXHFTFU-RKDXNWHRSA-N 1 2 224.308 1.488 20 0 BDADLO CC[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082389 354136384 /nfs/dbraw/zinc/13/63/84/354136384.db2.gz DGBPVWCMXHFTFU-RKDXNWHRSA-N 1 2 224.308 1.488 20 0 BDADLO CC[C@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056798 354126504 /nfs/dbraw/zinc/12/65/04/354126504.db2.gz KFCAWBVYXRNAHB-VHSXEESVSA-N 1 2 238.335 1.736 20 0 BDADLO CC[C@H](C)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344056798 354126506 /nfs/dbraw/zinc/12/65/06/354126506.db2.gz KFCAWBVYXRNAHB-VHSXEESVSA-N 1 2 238.335 1.736 20 0 BDADLO Cc1nc(N[C@@H](CCO)C(C)C)cc[nH+]1 ZINC000230915303 363328858 /nfs/dbraw/zinc/32/88/58/363328858.db2.gz HUZKKMIVSRRNLT-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cscn1 ZINC000449710367 202006441 /nfs/dbraw/zinc/00/64/41/202006441.db2.gz APMCDTOURLCXEX-NXEZZACHSA-N 1 2 228.317 1.037 20 0 BDADLO COc1cccnc1C[NH2+]Cc1ccco1 ZINC000449745424 202017921 /nfs/dbraw/zinc/01/79/21/202017921.db2.gz BXEGWFBTJMJQBU-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO CC(C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000074228748 354283557 /nfs/dbraw/zinc/28/35/57/354283557.db2.gz XFRAFFBUMHLZJA-LBPRGKRZSA-N 1 2 235.331 1.778 20 0 BDADLO Cc1[nH+]c[nH]c1[C@@H]1NC(=O)c2ccccc2N1C ZINC000334603979 354284600 /nfs/dbraw/zinc/28/46/00/354284600.db2.gz LQYHARZHOARPRR-GFCCVEGCSA-N 1 2 242.282 1.597 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)n(C)n1 ZINC000334611209 354294465 /nfs/dbraw/zinc/29/44/65/354294465.db2.gz NZHHWNIPUUYRAI-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)n(C)n1 ZINC000334611209 354294467 /nfs/dbraw/zinc/29/44/67/354294467.db2.gz NZHHWNIPUUYRAI-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO CC(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334616928 354304724 /nfs/dbraw/zinc/30/47/24/354304724.db2.gz OQNKTQKOBZPBJO-QMMMGPOBSA-N 1 2 207.277 1.039 20 0 BDADLO CC(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334616928 354304728 /nfs/dbraw/zinc/30/47/28/354304728.db2.gz OQNKTQKOBZPBJO-QMMMGPOBSA-N 1 2 207.277 1.039 20 0 BDADLO c1sc([C@H]2COCC[NH2+]2)nc1CC1CC1 ZINC000334601332 354280055 /nfs/dbraw/zinc/28/00/55/354280055.db2.gz GPATZBZUKKRLIH-SNVBAGLBSA-N 1 2 224.329 1.757 20 0 BDADLO C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CS1 ZINC000412612229 191300764 /nfs/dbraw/zinc/30/07/64/191300764.db2.gz VDEPBALMEJNLMM-UWVGGRQHSA-N 1 2 239.344 1.283 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)C(=O)NC(C)(C)C ZINC000086453730 491061679 /nfs/dbraw/zinc/06/16/79/491061679.db2.gz KNJZIWYOJSEVLC-QMMMGPOBSA-N 1 2 225.292 1.067 20 0 BDADLO Cc1ccc2ncc(C[NH+]3CC(C)(CO)C3)n2c1 ZINC000334647185 354437913 /nfs/dbraw/zinc/43/79/13/354437913.db2.gz NKTSINSBEOJHAV-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CC(C)(CO)C3)n2c1 ZINC000334647185 354437915 /nfs/dbraw/zinc/43/79/15/354437915.db2.gz NKTSINSBEOJHAV-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn[nH]n2)CC(C)(C)C1 ZINC000334675809 354419167 /nfs/dbraw/zinc/41/91/67/354419167.db2.gz LKORLILRWNKBNI-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn[nH]n2)CC(C)(C)C1 ZINC000334675809 354419170 /nfs/dbraw/zinc/41/91/70/354419170.db2.gz LKORLILRWNKBNI-SECBINFHSA-N 1 2 208.309 1.673 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000334652525 354445764 /nfs/dbraw/zinc/44/57/64/354445764.db2.gz QSNRFKBIDRSMKF-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000334652525 354445767 /nfs/dbraw/zinc/44/57/67/354445767.db2.gz QSNRFKBIDRSMKF-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000334652525 354445768 /nfs/dbraw/zinc/44/57/68/354445768.db2.gz QSNRFKBIDRSMKF-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000334652525 354445770 /nfs/dbraw/zinc/44/57/70/354445770.db2.gz QSNRFKBIDRSMKF-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000334652525 354445772 /nfs/dbraw/zinc/44/57/72/354445772.db2.gz QSNRFKBIDRSMKF-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000334652525 354445774 /nfs/dbraw/zinc/44/57/74/354445774.db2.gz QSNRFKBIDRSMKF-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000334655788 354449852 /nfs/dbraw/zinc/44/98/52/354449852.db2.gz SQPVQOOFRRETRD-SNVBAGLBSA-N 1 2 206.293 1.427 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000334655788 354449854 /nfs/dbraw/zinc/44/98/54/354449854.db2.gz SQPVQOOFRRETRD-SNVBAGLBSA-N 1 2 206.293 1.427 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc2c(c1)CCCC2=O ZINC000334664120 354465017 /nfs/dbraw/zinc/46/50/17/354465017.db2.gz QAAXWXRKZMJEAC-UHFFFAOYSA-N 1 2 246.310 1.706 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCOC[C@H]1C ZINC000334695240 354485973 /nfs/dbraw/zinc/48/59/73/354485973.db2.gz QDRZPGZVBGMGIE-PWSUYJOCSA-N 1 2 248.326 1.677 20 0 BDADLO COC1C[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000334740432 354544191 /nfs/dbraw/zinc/54/41/91/354544191.db2.gz MPBNSJOJBPRYHU-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO CCCCCS(=O)(=O)Cc1c[nH+]cn1C ZINC000271615313 168732158 /nfs/dbraw/zinc/73/21/58/168732158.db2.gz LMQOULLMWCFKMB-UHFFFAOYSA-N 1 2 230.333 1.525 20 0 BDADLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000074313298 354602456 /nfs/dbraw/zinc/60/24/56/354602456.db2.gz NSNAFTADHMFDCW-IUCAKERBSA-N 1 2 225.292 1.321 20 0 BDADLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000074313298 354602460 /nfs/dbraw/zinc/60/24/60/354602460.db2.gz NSNAFTADHMFDCW-IUCAKERBSA-N 1 2 225.292 1.321 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334761967 354582357 /nfs/dbraw/zinc/58/23/57/354582357.db2.gz BMRYZSPYQSZCSD-MRVPVSSYSA-N 1 2 221.304 1.744 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334761967 354582359 /nfs/dbraw/zinc/58/23/59/354582359.db2.gz BMRYZSPYQSZCSD-MRVPVSSYSA-N 1 2 221.304 1.744 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2ccccn2)c2[nH+]ccn21 ZINC000334744537 354548355 /nfs/dbraw/zinc/54/83/55/354548355.db2.gz TWRIBYUAWZSKCV-ONGXEEELSA-N 1 2 242.282 1.714 20 0 BDADLO Cc1nc(C)c(C(=O)Nc2cc[nH+]cc2O)s1 ZINC000345358843 354630062 /nfs/dbraw/zinc/63/00/62/354630062.db2.gz ITGKQFDJGAEXPW-UHFFFAOYSA-N 1 2 249.295 1.535 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC[C@@H](C)O2)c[nH+]1 ZINC000335083404 354616532 /nfs/dbraw/zinc/61/65/32/354616532.db2.gz IDAOKTUYKLUICH-APPZFPTMSA-N 1 2 223.276 1.015 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345687971 354732087 /nfs/dbraw/zinc/73/20/87/354732087.db2.gz HVQAIWPGQKCPSQ-RKDXNWHRSA-N 1 2 234.290 1.488 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000335117693 354708215 /nfs/dbraw/zinc/70/82/15/354708215.db2.gz YYXRMMRXRSIMJQ-LLVKDONJSA-N 1 2 226.320 1.067 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000335117693 354708221 /nfs/dbraw/zinc/70/82/21/354708221.db2.gz YYXRMMRXRSIMJQ-LLVKDONJSA-N 1 2 226.320 1.067 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000345589899 354723682 /nfs/dbraw/zinc/72/36/82/354723682.db2.gz HNDVATPKLMNYHX-UWVGGRQHSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345729799 354746146 /nfs/dbraw/zinc/74/61/46/354746146.db2.gz FHSZTMTWMKRZMY-DTWKUNHWSA-N 1 2 234.290 1.392 20 0 BDADLO FC(F)[C@@H]1CCCC[N@@H+]1C[C@H]1COCCO1 ZINC000335129691 354776540 /nfs/dbraw/zinc/77/65/40/354776540.db2.gz JLAHQIPAOVUFGX-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)[C@@H]1CCCC[N@H+]1C[C@H]1COCCO1 ZINC000335129691 354776541 /nfs/dbraw/zinc/77/65/41/354776541.db2.gz JLAHQIPAOVUFGX-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345760096 354778153 /nfs/dbraw/zinc/77/81/53/354778153.db2.gz MQJBPIGENCCLSM-AEJSXWLSSA-N 1 2 248.317 1.925 20 0 BDADLO CNC(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000335132641 354779639 /nfs/dbraw/zinc/77/96/39/354779639.db2.gz RHPMPLQVJVTWED-VIFPVBQESA-N 1 2 204.273 1.309 20 0 BDADLO CNC(=O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000335132641 354779642 /nfs/dbraw/zinc/77/96/42/354779642.db2.gz RHPMPLQVJVTWED-VIFPVBQESA-N 1 2 204.273 1.309 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccnc(N(C)C)n2)o1 ZINC000345714691 354741649 /nfs/dbraw/zinc/74/16/49/354741649.db2.gz YSUPAAGWJGSNTA-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CC/C=C/CC[N@@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346049481 354845055 /nfs/dbraw/zinc/84/50/55/354845055.db2.gz AWCZLFVHVJUANA-HIHHVFROSA-N 1 2 214.284 1.240 20 0 BDADLO CC/C=C/CC[N@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346049481 354845057 /nfs/dbraw/zinc/84/50/57/354845057.db2.gz AWCZLFVHVJUANA-HIHHVFROSA-N 1 2 214.284 1.240 20 0 BDADLO c1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)sn1 ZINC000639220867 354884309 /nfs/dbraw/zinc/88/43/09/354884309.db2.gz GZFUCQBCCTXPQE-UHFFFAOYSA-N 1 2 235.316 1.428 20 0 BDADLO C[C@@H]([NH2+]Cc1cscn1)c1ccnn1C ZINC000235198762 363439224 /nfs/dbraw/zinc/43/92/24/363439224.db2.gz OUMHQWNBOLITNC-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)[nH]n1 ZINC000335161033 354912402 /nfs/dbraw/zinc/91/24/02/354912402.db2.gz ASVHBLRDWQUWJC-DTWKUNHWSA-N 1 2 245.286 1.350 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@H]2CCCO2)[nH]1 ZINC000346447439 354943582 /nfs/dbraw/zinc/94/35/82/354943582.db2.gz RASMNWPDJZIIQK-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@H]2CCCO2)[nH]1 ZINC000346447439 354943587 /nfs/dbraw/zinc/94/35/87/354943587.db2.gz RASMNWPDJZIIQK-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000335959222 134024273 /nfs/dbraw/zinc/02/42/73/134024273.db2.gz UNIKZDZBYLLWBV-SNVBAGLBSA-N 1 2 223.251 1.720 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000346477435 354956762 /nfs/dbraw/zinc/95/67/62/354956762.db2.gz FMWCYJDVBHVFNY-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000346477435 354956763 /nfs/dbraw/zinc/95/67/63/354956763.db2.gz FMWCYJDVBHVFNY-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449756359 202021673 /nfs/dbraw/zinc/02/16/73/202021673.db2.gz AXOCWWSYJYCKKW-GHMZBOCLSA-N 1 2 229.320 1.487 20 0 BDADLO Cc1ccncc1COCc1[nH]cc[nH+]1 ZINC000346619574 354994999 /nfs/dbraw/zinc/99/49/99/354994999.db2.gz LRHGXOZZFLQABI-UHFFFAOYSA-N 1 2 203.245 1.830 20 0 BDADLO CC(C)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335204023 355038856 /nfs/dbraw/zinc/03/88/56/355038856.db2.gz RCKVPOROCXQIOO-JTQLQIEISA-N 1 2 236.319 1.153 20 0 BDADLO F[C@H]1CCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000639227602 355051234 /nfs/dbraw/zinc/05/12/34/355051234.db2.gz KWSUEHPJFRVGTF-VIFPVBQESA-N 1 2 238.262 1.397 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000639227602 355051237 /nfs/dbraw/zinc/05/12/37/355051237.db2.gz KWSUEHPJFRVGTF-VIFPVBQESA-N 1 2 238.262 1.397 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000639227602 355051238 /nfs/dbraw/zinc/05/12/38/355051238.db2.gz KWSUEHPJFRVGTF-VIFPVBQESA-N 1 2 238.262 1.397 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)n(C)n1 ZINC000335217247 355055468 /nfs/dbraw/zinc/05/54/68/355055468.db2.gz YQUXTHIERSLTNA-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)n(C)n1 ZINC000335217247 355055470 /nfs/dbraw/zinc/05/54/70/355055470.db2.gz YQUXTHIERSLTNA-CYBMUJFWSA-N 1 2 237.347 1.585 20 0 BDADLO CCN1CCN(c2cccc[nH+]2)[C@@H](C)C1=O ZINC000335217424 355056501 /nfs/dbraw/zinc/05/65/01/355056501.db2.gz JYHLRBCPQZQPAZ-JTQLQIEISA-N 1 2 219.288 1.139 20 0 BDADLO C[C@]1(F)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335973188 134030411 /nfs/dbraw/zinc/03/04/11/134030411.db2.gz VFKPCZOANOFJLO-NSHDSACASA-N 1 2 225.267 1.303 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000346695685 355059303 /nfs/dbraw/zinc/05/93/03/355059303.db2.gz FPUOHGXCZKYVGC-UWVGGRQHSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H](C)[C@@H](C)C2)[nH+]1 ZINC000346695685 355059307 /nfs/dbraw/zinc/05/93/07/355059307.db2.gz FPUOHGXCZKYVGC-UWVGGRQHSA-N 1 2 249.362 1.728 20 0 BDADLO CO[C@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335227285 355069181 /nfs/dbraw/zinc/06/91/81/355069181.db2.gz GWLWGMIDWYBSAX-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO CO[C@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335227285 355069183 /nfs/dbraw/zinc/06/91/83/355069183.db2.gz GWLWGMIDWYBSAX-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@H](F)C1 ZINC000639228853 355109486 /nfs/dbraw/zinc/10/94/86/355109486.db2.gz QVQLFHLINWYKTN-VIFPVBQESA-N 1 2 212.243 1.952 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@H](F)C1 ZINC000639228853 355109489 /nfs/dbraw/zinc/10/94/89/355109489.db2.gz QVQLFHLINWYKTN-VIFPVBQESA-N 1 2 212.243 1.952 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2conc2C)o1 ZINC000639228481 355112752 /nfs/dbraw/zinc/11/27/52/355112752.db2.gz SYKQYHHKOCHBPC-UHFFFAOYSA-N 1 2 221.260 1.878 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@]12CC[C@H](C)C2 ZINC000335246695 355161396 /nfs/dbraw/zinc/16/13/96/355161396.db2.gz OTGCBRLRPRBNCC-CMPLNLGQSA-N 1 2 210.321 1.591 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@]12CC[C@H](C)C2 ZINC000335246695 355161398 /nfs/dbraw/zinc/16/13/98/355161398.db2.gz OTGCBRLRPRBNCC-CMPLNLGQSA-N 1 2 210.321 1.591 20 0 BDADLO CN(C)c1noc([C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000346949963 355163525 /nfs/dbraw/zinc/16/35/25/355163525.db2.gz WPDNMQXLXYTJJI-SECBINFHSA-N 1 2 222.292 1.435 20 0 BDADLO CN(C)c1noc([C@H]2CCC[N@H+]2C2CC2)n1 ZINC000346949963 355163527 /nfs/dbraw/zinc/16/35/27/355163527.db2.gz WPDNMQXLXYTJJI-SECBINFHSA-N 1 2 222.292 1.435 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H]1CCCCO1 ZINC000346956911 355168208 /nfs/dbraw/zinc/16/82/08/355168208.db2.gz FSYLKOQDERCBND-JBBSTSQOSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H]1CCCCO1 ZINC000346956911 355168210 /nfs/dbraw/zinc/16/82/10/355168210.db2.gz FSYLKOQDERCBND-JBBSTSQOSA-N 1 2 245.388 1.397 20 0 BDADLO O=C1N=NC(C[N@H+]2CCCC3(CC3)C2)S1 ZINC000366961158 355140104 /nfs/dbraw/zinc/14/01/04/355140104.db2.gz ISAFGMAGYGTHJU-UHFFFAOYSA-N 1 2 225.317 1.620 20 0 BDADLO CC(=O)c1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000346916249 355153685 /nfs/dbraw/zinc/15/36/85/355153685.db2.gz MHKIGOXIHKVRKM-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO CC[NH+](CC)Cc1nc(Cc2cncn2C)no1 ZINC000346971514 355207514 /nfs/dbraw/zinc/20/75/14/355207514.db2.gz ZXZQTKSIPPYUOV-UHFFFAOYSA-N 1 2 249.318 1.236 20 0 BDADLO CC(C)OCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000346968413 355173940 /nfs/dbraw/zinc/17/39/40/355173940.db2.gz VNMNYKMMHROHEB-HFAKWTLXSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)OCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000346968413 355173942 /nfs/dbraw/zinc/17/39/42/355173942.db2.gz VNMNYKMMHROHEB-HFAKWTLXSA-N 1 2 233.377 1.253 20 0 BDADLO C[C@@H](O)C[N@H+](CCC[C@H]1CCO1)CC(F)F ZINC000639236018 355220664 /nfs/dbraw/zinc/22/06/64/355220664.db2.gz WQPPDRCUPORWIW-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H](O)C[N@@H+](CCC[C@H]1CCO1)CC(F)F ZINC000639236018 355220667 /nfs/dbraw/zinc/22/06/67/355220667.db2.gz WQPPDRCUPORWIW-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413132912 191357436 /nfs/dbraw/zinc/35/74/36/191357436.db2.gz GPUJTBJCHVTIGK-JTQLQIEISA-N 1 2 236.319 1.624 20 0 BDADLO CCC[C@H](O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413132912 191357438 /nfs/dbraw/zinc/35/74/38/191357438.db2.gz GPUJTBJCHVTIGK-JTQLQIEISA-N 1 2 236.319 1.624 20 0 BDADLO CCCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347626158 355240361 /nfs/dbraw/zinc/24/03/61/355240361.db2.gz JUPKBERBWQKJHZ-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347626158 355240362 /nfs/dbraw/zinc/24/03/62/355240362.db2.gz JUPKBERBWQKJHZ-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO Cc1cscc1CNC(=O)CCn1cc[nH+]c1 ZINC000347638054 355243480 /nfs/dbraw/zinc/24/34/80/355243480.db2.gz RFJCCZHYNFULBC-UHFFFAOYSA-N 1 2 249.339 1.960 20 0 BDADLO c1nc(NC2CC2)cc(NC[C@@H]2CCOC2)[nH+]1 ZINC000413075531 191354079 /nfs/dbraw/zinc/35/40/79/191354079.db2.gz PSTVHWFIWBAXCW-VIFPVBQESA-N 1 2 234.303 1.499 20 0 BDADLO c1nc(NC[C@@H]2CCOC2)cc(NC2CC2)[nH+]1 ZINC000413075531 191354081 /nfs/dbraw/zinc/35/40/81/191354081.db2.gz PSTVHWFIWBAXCW-VIFPVBQESA-N 1 2 234.303 1.499 20 0 BDADLO CCN(CCOC)c1cc(NC2CC2)[nH+]cn1 ZINC000413076610 191354619 /nfs/dbraw/zinc/35/46/19/191354619.db2.gz RAUYWNVDRZGQHY-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCN(CCOC)c1cc(NC2CC2)nc[nH+]1 ZINC000413076610 191354621 /nfs/dbraw/zinc/35/46/21/191354621.db2.gz RAUYWNVDRZGQHY-UHFFFAOYSA-N 1 2 236.319 1.524 20 0 BDADLO CCC[C@H](O)[C@H](CO)Nc1cccc[nH+]1 ZINC000413497554 191390164 /nfs/dbraw/zinc/39/01/64/191390164.db2.gz TWSHHKOIEZQNQT-UWVGGRQHSA-N 1 2 210.277 1.015 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000335292985 355270575 /nfs/dbraw/zinc/27/05/75/355270575.db2.gz DNKPXOIEXBVDPB-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@H](O)C(C)C ZINC000413542705 191394749 /nfs/dbraw/zinc/39/47/49/191394749.db2.gz OEPJJRIGBCOIFP-ZYHUDNBSSA-N 1 2 223.320 1.992 20 0 BDADLO C[C@@H]1CC(C)(C)CN1c1[nH+]cnc2c1cnn2C ZINC000413556952 191397000 /nfs/dbraw/zinc/39/70/00/191397000.db2.gz FJZSPIFQMBSQBD-SECBINFHSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000413196618 191361813 /nfs/dbraw/zinc/36/18/13/191361813.db2.gz AAHWVWCDYIMOKK-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000413196618 191361817 /nfs/dbraw/zinc/36/18/17/191361817.db2.gz AAHWVWCDYIMOKK-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@@H](O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413197005 191362226 /nfs/dbraw/zinc/36/22/26/191362226.db2.gz KKXGZNFKQQOKEV-SNVBAGLBSA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@@H](O)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413197005 191362228 /nfs/dbraw/zinc/36/22/28/191362228.db2.gz KKXGZNFKQQOKEV-SNVBAGLBSA-N 1 2 236.319 1.624 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413233235 191364728 /nfs/dbraw/zinc/36/47/28/191364728.db2.gz PRGNPHOCKPGNCK-KXMPLOMGSA-N 1 2 248.330 1.790 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413233235 191364732 /nfs/dbraw/zinc/36/47/32/191364732.db2.gz PRGNPHOCKPGNCK-KXMPLOMGSA-N 1 2 248.330 1.790 20 0 BDADLO CO[C@@H](C)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413301393 191370282 /nfs/dbraw/zinc/37/02/82/191370282.db2.gz XMMJFXOHPCOBSQ-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@@H](C)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413301393 191370285 /nfs/dbraw/zinc/37/02/85/191370285.db2.gz XMMJFXOHPCOBSQ-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1nncn1C ZINC000347666203 355256686 /nfs/dbraw/zinc/25/66/86/355256686.db2.gz ROKCSKSRQSZWBV-LLVKDONJSA-N 1 2 240.351 1.044 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1nncn1C ZINC000347666203 355256688 /nfs/dbraw/zinc/25/66/88/355256688.db2.gz ROKCSKSRQSZWBV-LLVKDONJSA-N 1 2 240.351 1.044 20 0 BDADLO F[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413319452 191372620 /nfs/dbraw/zinc/37/26/20/191372620.db2.gz DDDOFDUZLDUIGM-QMMMGPOBSA-N 1 2 222.267 1.599 20 0 BDADLO F[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413319452 191372621 /nfs/dbraw/zinc/37/26/21/191372621.db2.gz DDDOFDUZLDUIGM-QMMMGPOBSA-N 1 2 222.267 1.599 20 0 BDADLO Cc1ccc(CCNc2cc[nH+]c(C)n2)nc1 ZINC000413349929 191373281 /nfs/dbraw/zinc/37/32/81/191373281.db2.gz HWIKCVBLRRFWAE-UHFFFAOYSA-N 1 2 228.299 1.565 20 0 BDADLO Cn1c(C[NH+]2CC(C)(O)C2)cc2ccccc21 ZINC000639253460 355290895 /nfs/dbraw/zinc/29/08/95/355290895.db2.gz GGZCJWNUXNWUFB-UHFFFAOYSA-N 1 2 230.311 1.745 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cc(C)ns2)n1 ZINC000639262065 355316082 /nfs/dbraw/zinc/31/60/82/355316082.db2.gz PDJPOOVGYHLELV-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO Cc1cc(N(C[C@@H]2CCC(=O)N2)C(C)C)nc[nH+]1 ZINC000413599906 191399230 /nfs/dbraw/zinc/39/92/30/191399230.db2.gz XTFSOICPCWWXHB-NSHDSACASA-N 1 2 248.330 1.278 20 0 BDADLO CCOC1C[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000639250842 355281290 /nfs/dbraw/zinc/28/12/90/355281290.db2.gz WJGJSCSJYFWMNM-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO CCNC(=O)C1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC000639251582 355284752 /nfs/dbraw/zinc/28/47/52/355284752.db2.gz RHNJMNKZHRGLEY-UHFFFAOYSA-N 1 2 249.314 1.120 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349237971 355372662 /nfs/dbraw/zinc/37/26/62/355372662.db2.gz JEVAOCJZUJKABF-ZJUUUORDSA-N 1 2 239.319 1.486 20 0 BDADLO Cc1[nH]nc2ncc(C[N@@H+]3CCO[C@H](C)C3)cc12 ZINC000349750045 355423153 /nfs/dbraw/zinc/42/31/53/355423153.db2.gz SFFYAKBLVWJIHR-SECBINFHSA-N 1 2 246.314 1.487 20 0 BDADLO Cc1[nH]nc2ncc(C[N@H+]3CCO[C@H](C)C3)cc12 ZINC000349750045 355423156 /nfs/dbraw/zinc/42/31/56/355423156.db2.gz SFFYAKBLVWJIHR-SECBINFHSA-N 1 2 246.314 1.487 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000335816251 355506456 /nfs/dbraw/zinc/50/64/56/355506456.db2.gz HMABPRDCJDQHAV-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000335816251 355506457 /nfs/dbraw/zinc/50/64/57/355506457.db2.gz HMABPRDCJDQHAV-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000335812571 355499346 /nfs/dbraw/zinc/49/93/46/355499346.db2.gz PRTOVIPXPNNKOU-UHFFFAOYSA-N 1 2 233.271 1.892 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2c1C(=O)NC2 ZINC000335812505 355499465 /nfs/dbraw/zinc/49/94/65/355499465.db2.gz VPHINKWJRRVIFF-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000335795132 355451409 /nfs/dbraw/zinc/45/14/09/355451409.db2.gz JJROQFNFBVKHAW-YPMHNXCESA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH]c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000335795132 355451410 /nfs/dbraw/zinc/45/14/10/355451410.db2.gz JJROQFNFBVKHAW-YPMHNXCESA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH+]c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)[nH]1 ZINC000335795132 355451414 /nfs/dbraw/zinc/45/14/14/355451414.db2.gz JJROQFNFBVKHAW-YPMHNXCESA-N 1 2 247.342 1.943 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000335810643 355483200 /nfs/dbraw/zinc/48/32/00/355483200.db2.gz RHNORXHIRZCXPP-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOCC2(CC2)C1 ZINC000335810643 355483202 /nfs/dbraw/zinc/48/32/02/355483202.db2.gz RHNORXHIRZCXPP-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccon1 ZINC000349836319 355489812 /nfs/dbraw/zinc/48/98/12/355489812.db2.gz RUINJBVKSMKCKW-OUAUKWLOSA-N 1 2 235.331 1.950 20 0 BDADLO C[NH2+]Cc1noc(-c2cc(=O)[nH]c(C(C)C)c2)n1 ZINC000349933747 355530837 /nfs/dbraw/zinc/53/08/37/355530837.db2.gz JCMAWLXKVNNMSI-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO CCc1cc[nH+]cc1N[C@@H]1CCCNC(=O)C1 ZINC000639293891 355547698 /nfs/dbraw/zinc/54/76/98/355547698.db2.gz HMEUAEGEGWLUCG-LLVKDONJSA-N 1 2 233.315 1.725 20 0 BDADLO CCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000335830438 355557084 /nfs/dbraw/zinc/55/70/84/355557084.db2.gz DZGDNENPSSAFNO-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[NH2+]Cc1noc([C@H](C)c2ccc(OC)cc2)n1 ZINC000349872621 355513492 /nfs/dbraw/zinc/51/34/92/355513492.db2.gz CORUXQOLYABPRS-SECBINFHSA-N 1 2 247.298 1.949 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H]1F ZINC000340782274 191687633 /nfs/dbraw/zinc/68/76/33/191687633.db2.gz MCGNYZYSQDTGJV-MNOVXSKESA-N 1 2 239.294 1.360 20 0 BDADLO COc1ncc(C[NH+]2CC3(CC3(F)F)C2)s1 ZINC000639294888 355575873 /nfs/dbraw/zinc/57/58/73/355575873.db2.gz GPFZMFXJVUHSJU-UHFFFAOYSA-N 1 2 246.282 1.993 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCSCC2)[nH]1 ZINC000335881362 355670300 /nfs/dbraw/zinc/67/03/00/355670300.db2.gz CCNOJRSUGQZXRO-UHFFFAOYSA-N 1 2 240.376 1.867 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCSCC2)[nH]1 ZINC000335881362 355670301 /nfs/dbraw/zinc/67/03/01/355670301.db2.gz CCNOJRSUGQZXRO-UHFFFAOYSA-N 1 2 240.376 1.867 20 0 BDADLO COCc1nnc(C[NH2+]CC2(C(C)C)CC2)[nH]1 ZINC000639309525 355665429 /nfs/dbraw/zinc/66/54/29/355665429.db2.gz CBNIPTOJHMCFSD-UHFFFAOYSA-N 1 2 238.335 1.477 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000335867584 355632775 /nfs/dbraw/zinc/63/27/75/355632775.db2.gz BILQSQLIIJTALB-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000335867584 355632778 /nfs/dbraw/zinc/63/27/78/355632778.db2.gz BILQSQLIIJTALB-GFCCVEGCSA-N 1 2 223.320 1.277 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ccns1 ZINC000639301151 355636768 /nfs/dbraw/zinc/63/67/68/355636768.db2.gz MZWBZVLLVXRLEG-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ccns1 ZINC000639301151 355636772 /nfs/dbraw/zinc/63/67/72/355636772.db2.gz MZWBZVLLVXRLEG-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO COc1cc(C[NH2+]Cc2ccc(OC)nc2)on1 ZINC000639323399 355716638 /nfs/dbraw/zinc/71/66/38/355716638.db2.gz BRRXZDAUOGYIRJ-UHFFFAOYSA-N 1 2 249.270 1.377 20 0 BDADLO Cc1ccc(C[S@](=O)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000335890833 355678063 /nfs/dbraw/zinc/67/80/63/355678063.db2.gz SGESKZPBVJNURY-WBMJQRKESA-N 1 2 239.340 1.736 20 0 BDADLO CC(C)c1nc(N2C[C@@H](O)C[C@H]2C)cc[nH+]1 ZINC000350684901 355741483 /nfs/dbraw/zinc/74/14/83/355741483.db2.gz MHZIZLPXVCTDKF-ZJUUUORDSA-N 1 2 221.304 1.560 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(C)n2)C[C@H](C)O1 ZINC000350703426 355744811 /nfs/dbraw/zinc/74/48/11/355744811.db2.gz WBYJDGPFTFKDTO-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(C)n2)C[C@H](C)O1 ZINC000350703426 355744817 /nfs/dbraw/zinc/74/48/17/355744817.db2.gz WBYJDGPFTFKDTO-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO O=C(c1ccc(F)cc1)N1CCn2c[nH+]cc2C1 ZINC000336019491 134054057 /nfs/dbraw/zinc/05/40/57/134054057.db2.gz UPTSUXKAKOYVKI-UHFFFAOYSA-N 1 2 245.257 1.678 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000350723992 355749371 /nfs/dbraw/zinc/74/93/71/355749371.db2.gz GZFHYRVYJYAXND-WPRPVWTQSA-N 1 2 219.288 1.314 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1c(C)cccc1OC ZINC000639332160 355759027 /nfs/dbraw/zinc/75/90/27/355759027.db2.gz HBYICKBOLHSUKV-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1c(C)cccc1OC ZINC000639332160 355759028 /nfs/dbraw/zinc/75/90/28/355759028.db2.gz HBYICKBOLHSUKV-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO Cc1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000033894795 355763329 /nfs/dbraw/zinc/76/33/29/355763329.db2.gz MDANYNDEFRYQQC-GFCCVEGCSA-N 1 2 202.257 1.925 20 0 BDADLO COc1cc(C[NH2+]Cc2cc(C3CC3)no2)on1 ZINC000639326333 355725650 /nfs/dbraw/zinc/72/56/50/355725650.db2.gz QWYLNSRQQFZHNM-UHFFFAOYSA-N 1 2 249.270 1.838 20 0 BDADLO Nc1cc2c(nn1)CC[N@H+](Cc1ccco1)C2 ZINC000371373452 181210619 /nfs/dbraw/zinc/21/06/19/181210619.db2.gz MIGFZDDKMHGRIV-UHFFFAOYSA-N 1 2 230.271 1.040 20 0 BDADLO Nc1cc2c(nn1)CC[N@@H+](Cc1ccco1)C2 ZINC000371373452 181210621 /nfs/dbraw/zinc/21/06/21/181210621.db2.gz MIGFZDDKMHGRIV-UHFFFAOYSA-N 1 2 230.271 1.040 20 0 BDADLO CC1(C[N@@H+]2CCOC[C@H]2c2ccco2)COC1 ZINC000608497796 355825069 /nfs/dbraw/zinc/82/50/69/355825069.db2.gz CBVXKBDJOOTDHT-NSHDSACASA-N 1 2 237.299 1.689 20 0 BDADLO CC1(C[N@H+]2CCOC[C@H]2c2ccco2)COC1 ZINC000608497796 355825071 /nfs/dbraw/zinc/82/50/71/355825071.db2.gz CBVXKBDJOOTDHT-NSHDSACASA-N 1 2 237.299 1.689 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)o1 ZINC000639357253 355811313 /nfs/dbraw/zinc/81/13/13/355811313.db2.gz METASOMYJPKKJG-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2ccnn2CC2CCC2)n1 ZINC000639365547 355839454 /nfs/dbraw/zinc/83/94/54/355839454.db2.gz DOFMDMAFLVZULP-UHFFFAOYSA-N 1 2 245.330 1.696 20 0 BDADLO COC[C@H](CC(C)(C)C)[NH2+]Cc1cn[nH]n1 ZINC000628363665 355848159 /nfs/dbraw/zinc/84/81/59/355848159.db2.gz SQTNEOYULXQTFQ-VIFPVBQESA-N 1 2 226.324 1.346 20 0 BDADLO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363515 355848260 /nfs/dbraw/zinc/84/82/60/355848260.db2.gz NCPFBKVOYWYRLL-QWRGUYRKSA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363515 355848262 /nfs/dbraw/zinc/84/82/62/355848262.db2.gz NCPFBKVOYWYRLL-QWRGUYRKSA-N 1 2 208.309 1.863 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254484 355854867 /nfs/dbraw/zinc/85/48/67/355854867.db2.gz DBKKIAFPQNCTGJ-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254481 355855167 /nfs/dbraw/zinc/85/51/67/355855167.db2.gz DBKKIAFPQNCTGJ-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(CC1CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336028830 134058051 /nfs/dbraw/zinc/05/80/51/134058051.db2.gz IPRLYEHJTBDLQX-SNVBAGLBSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(CC1CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336028830 134058052 /nfs/dbraw/zinc/05/80/52/134058052.db2.gz IPRLYEHJTBDLQX-SNVBAGLBSA-N 1 2 233.315 1.573 20 0 BDADLO Cc1c(Cl)c(CNCc2[nH]cc[nH+]2)nn1C ZINC000639371167 355866783 /nfs/dbraw/zinc/86/67/83/355866783.db2.gz KNRVMFUYRVKLAS-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO OCCSCc1cn2ccccc2[nH+]1 ZINC000035118475 355832487 /nfs/dbraw/zinc/83/24/87/355832487.db2.gz LGCDYVGSQXXXPO-UHFFFAOYSA-N 1 2 208.286 1.560 20 0 BDADLO CC1([NH2+]Cc2cnc(C3CC3)o2)COC1 ZINC000639381070 355917978 /nfs/dbraw/zinc/91/79/78/355917978.db2.gz OPSHKMGNZZAMPL-UHFFFAOYSA-N 1 2 208.261 1.431 20 0 BDADLO CC1([NH2+]Cc2cc(C3CC3)no2)COC1 ZINC000639381003 355920729 /nfs/dbraw/zinc/92/07/29/355920729.db2.gz NEEXCLONFQERMH-UHFFFAOYSA-N 1 2 208.261 1.431 20 0 BDADLO COCCc1nc(C[N@H+](C)CC(C)C)no1 ZINC000351437441 355991350 /nfs/dbraw/zinc/99/13/50/355991350.db2.gz BKVWXQKHOOJTQQ-UHFFFAOYSA-N 1 2 227.308 1.346 20 0 BDADLO COCCc1nc(C[N@@H+](C)CC(C)C)no1 ZINC000351437441 355991352 /nfs/dbraw/zinc/99/13/52/355991352.db2.gz BKVWXQKHOOJTQQ-UHFFFAOYSA-N 1 2 227.308 1.346 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CCC(F)(F)CC1 ZINC000216471371 355995011 /nfs/dbraw/zinc/99/50/11/355995011.db2.gz OBXJMAAXOUHZDL-UHFFFAOYSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CCC(F)(F)CC1 ZINC000216471371 355995014 /nfs/dbraw/zinc/99/50/14/355995014.db2.gz OBXJMAAXOUHZDL-UHFFFAOYSA-N 1 2 243.257 1.851 20 0 BDADLO COC[C@@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351489484 355999117 /nfs/dbraw/zinc/99/91/17/355999117.db2.gz HHJABERVELONMW-MWLCHTKSSA-N 1 2 239.319 1.797 20 0 BDADLO COC[C@@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351489484 355999120 /nfs/dbraw/zinc/99/91/20/355999120.db2.gz HHJABERVELONMW-MWLCHTKSSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1noc([C@H](C)N(C)c2cc(C)[nH+]cn2)n1 ZINC000583640988 355947156 /nfs/dbraw/zinc/94/71/56/355947156.db2.gz APXPZBZXIBMESS-QMMMGPOBSA-N 1 2 233.275 1.674 20 0 BDADLO CSCC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000351138674 355952891 /nfs/dbraw/zinc/95/28/91/355952891.db2.gz GUAKXEIPEUSLSO-SNVBAGLBSA-N 1 2 229.345 1.029 20 0 BDADLO CSCC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000351138674 355952894 /nfs/dbraw/zinc/95/28/94/355952894.db2.gz GUAKXEIPEUSLSO-SNVBAGLBSA-N 1 2 229.345 1.029 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](COC)C1 ZINC000351622658 356031481 /nfs/dbraw/zinc/03/14/81/356031481.db2.gz LDMQLCVVUQDEDY-LLVKDONJSA-N 1 2 240.303 1.084 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](COC)C1 ZINC000351622658 356031486 /nfs/dbraw/zinc/03/14/86/356031486.db2.gz LDMQLCVVUQDEDY-LLVKDONJSA-N 1 2 240.303 1.084 20 0 BDADLO Cc1csc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000623257158 356018707 /nfs/dbraw/zinc/01/87/07/356018707.db2.gz FUOFITDWLWMYDC-SECBINFHSA-N 1 2 247.323 1.608 20 0 BDADLO COC[C@@H](C)[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258875 356086717 /nfs/dbraw/zinc/08/67/17/356086717.db2.gz IMCFPTKEWKNMNF-LLVKDONJSA-N 1 2 248.326 1.500 20 0 BDADLO COC[C@@H](C)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258875 356086718 /nfs/dbraw/zinc/08/67/18/356086718.db2.gz IMCFPTKEWKNMNF-LLVKDONJSA-N 1 2 248.326 1.500 20 0 BDADLO COC(=O)C[C@@](C)([NH2+]CCF)c1ccccn1 ZINC000351824645 356091709 /nfs/dbraw/zinc/09/17/09/356091709.db2.gz RMIVIRVTIGNQBO-GFCCVEGCSA-N 1 2 240.278 1.419 20 0 BDADLO CCc1occc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260013 356095801 /nfs/dbraw/zinc/09/58/01/356095801.db2.gz RBIAEOVBMMDNQB-SECBINFHSA-N 1 2 245.282 1.393 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261447 356152566 /nfs/dbraw/zinc/15/25/66/356152566.db2.gz ROFJHACAKISFFC-JKOKRWQUSA-N 1 2 247.342 1.606 20 0 BDADLO O=C(Nc1nccs1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639437781 356215198 /nfs/dbraw/zinc/21/51/98/356215198.db2.gz QHABSOKOXKNAGU-SSDOTTSWSA-N 1 2 249.299 1.086 20 0 BDADLO CC(C)N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639439120 356218890 /nfs/dbraw/zinc/21/88/90/356218890.db2.gz BIICUJVYXYIWOL-UHFFFAOYSA-N 1 2 235.331 1.313 20 0 BDADLO CC[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000617637403 356235646 /nfs/dbraw/zinc/23/56/46/356235646.db2.gz VIQLHQVOJSFJPJ-SNVBAGLBSA-N 1 2 209.293 1.436 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000623264364 356232929 /nfs/dbraw/zinc/23/29/29/356232929.db2.gz JPVVYANDXDWTSX-XEZLXBQYSA-N 1 2 245.326 1.360 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC12CCC2 ZINC000623264509 356236448 /nfs/dbraw/zinc/23/64/48/356236448.db2.gz NEPINBKZQKXYOH-ONGXEEELSA-N 1 2 231.299 1.114 20 0 BDADLO NC(=O)Nc1cc(NCc2[nH]cc[nH+]2)ccc1F ZINC000353741557 181261820 /nfs/dbraw/zinc/26/18/20/181261820.db2.gz RSQFTCFXLUOLQS-UHFFFAOYSA-N 1 2 249.249 1.652 20 0 BDADLO CC[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000336120215 134091144 /nfs/dbraw/zinc/09/11/44/134091144.db2.gz LCUNGMBUVKPYPY-YPMHNXCESA-N 1 2 247.342 1.601 20 0 BDADLO CC[C@@H]1C[N@H+](CC(C)=O)[C@H](CC)CN1C(C)=O ZINC000639507729 356334608 /nfs/dbraw/zinc/33/46/08/356334608.db2.gz MGPXPVBVVLYHEJ-CHWSQXEVSA-N 1 2 240.347 1.297 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(C)=O)[C@H](CC)CN1C(C)=O ZINC000639507729 356334612 /nfs/dbraw/zinc/33/46/12/356334612.db2.gz MGPXPVBVVLYHEJ-CHWSQXEVSA-N 1 2 240.347 1.297 20 0 BDADLO CCCC[C@@H](C)[N@H+](C)Cc1nnn(C)n1 ZINC000352390580 356335767 /nfs/dbraw/zinc/33/57/67/356335767.db2.gz DXVNKVZSWUGGAR-SECBINFHSA-N 1 2 211.313 1.221 20 0 BDADLO CCCC[C@@H](C)[N@@H+](C)Cc1nnn(C)n1 ZINC000352390580 356335769 /nfs/dbraw/zinc/33/57/69/356335769.db2.gz DXVNKVZSWUGGAR-SECBINFHSA-N 1 2 211.313 1.221 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000336133665 134095000 /nfs/dbraw/zinc/09/50/00/134095000.db2.gz XOECNOOHXXNULD-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO Cc1ccnc(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000336133665 134095001 /nfs/dbraw/zinc/09/50/01/134095001.db2.gz XOECNOOHXXNULD-SNVBAGLBSA-N 1 2 223.345 1.722 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000336503825 356381692 /nfs/dbraw/zinc/38/16/92/356381692.db2.gz GNJPISWCFNLRCR-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000336503825 356381693 /nfs/dbraw/zinc/38/16/93/356381693.db2.gz GNJPISWCFNLRCR-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CCCOC2)s1 ZINC000352186134 134099643 /nfs/dbraw/zinc/09/96/43/134099643.db2.gz JGCHAWYPGXIFMZ-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CCCOC2)s1 ZINC000352186134 134099644 /nfs/dbraw/zinc/09/96/44/134099644.db2.gz JGCHAWYPGXIFMZ-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CCN1CC[N@H+](Cc2occc2C)[C@H](C)C1=O ZINC000336516855 356384233 /nfs/dbraw/zinc/38/42/33/356384233.db2.gz AYXXMDKNYGSDAY-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO CCN1CC[N@@H+](Cc2occc2C)[C@H](C)C1=O ZINC000336516855 356384236 /nfs/dbraw/zinc/38/42/36/356384236.db2.gz AYXXMDKNYGSDAY-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccon1 ZINC000365486929 181274401 /nfs/dbraw/zinc/27/44/01/181274401.db2.gz VLHVMLNSVLEJPX-WCQGTBRESA-N 1 2 249.314 1.293 20 0 BDADLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccon1 ZINC000365486929 181274402 /nfs/dbraw/zinc/27/44/02/181274402.db2.gz VLHVMLNSVLEJPX-WCQGTBRESA-N 1 2 249.314 1.293 20 0 BDADLO Cc1nc(N2CC[C@H](O)CC23CCC3)cc[nH+]1 ZINC000420629680 192251422 /nfs/dbraw/zinc/25/14/22/192251422.db2.gz CVQKROAJVOFNRK-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO CCc1nc(C[N@H+](C)C2CC(OC)C2)no1 ZINC000352220300 134108844 /nfs/dbraw/zinc/10/88/44/134108844.db2.gz HEPQQLFEONHPRE-UHFFFAOYSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nc(C[N@@H+](C)C2CC(OC)C2)no1 ZINC000352220300 134108845 /nfs/dbraw/zinc/10/88/45/134108845.db2.gz HEPQQLFEONHPRE-UHFFFAOYSA-N 1 2 225.292 1.241 20 0 BDADLO C[C@@H]1CC[C@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000420634361 192252472 /nfs/dbraw/zinc/25/24/72/192252472.db2.gz LDSPDBRWKDEILI-KOLCDFICSA-N 1 2 233.315 1.704 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000336161394 134111051 /nfs/dbraw/zinc/11/10/51/134111051.db2.gz HMCLCIOILCTNIO-QWHCGFSZSA-N 1 2 233.315 1.737 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000336161394 134111052 /nfs/dbraw/zinc/11/10/52/134111052.db2.gz HMCLCIOILCTNIO-QWHCGFSZSA-N 1 2 233.315 1.737 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)C[C@@H](C)O ZINC000352230455 134111151 /nfs/dbraw/zinc/11/11/51/134111151.db2.gz KIFQQKLSRQQVEP-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)C[C@@H](C)O ZINC000352230455 134111152 /nfs/dbraw/zinc/11/11/52/134111152.db2.gz KIFQQKLSRQQVEP-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000336161316 134111265 /nfs/dbraw/zinc/11/12/65/134111265.db2.gz COFDYHIVXYSCJN-WDEREUQCSA-N 1 2 243.253 1.436 20 0 BDADLO OC[C@H]1C[C@H](F)C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000336161316 134111266 /nfs/dbraw/zinc/11/12/66/134111266.db2.gz COFDYHIVXYSCJN-WDEREUQCSA-N 1 2 243.253 1.436 20 0 BDADLO Cc1cc(NCC[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000399381808 356487016 /nfs/dbraw/zinc/48/70/16/356487016.db2.gz OHYCVLGTVYYMNJ-GFCCVEGCSA-N 1 2 231.299 1.665 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336165553 134113035 /nfs/dbraw/zinc/11/30/35/134113035.db2.gz FZWFKDJHZCSNRD-CMPLNLGQSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCCOC2)nc1 ZINC000352223554 134110262 /nfs/dbraw/zinc/11/02/62/134110262.db2.gz WHQLNKITNANPRL-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H]2CCCOC2)nc1 ZINC000352223554 134110263 /nfs/dbraw/zinc/11/02/63/134110263.db2.gz WHQLNKITNANPRL-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000194303890 181282049 /nfs/dbraw/zinc/28/20/49/181282049.db2.gz JSUDOROBISLUDW-MRVPVSSYSA-N 1 2 244.747 1.851 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1sccc1Cl ZINC000194303890 181282051 /nfs/dbraw/zinc/28/20/51/181282051.db2.gz JSUDOROBISLUDW-MRVPVSSYSA-N 1 2 244.747 1.851 20 0 BDADLO CC(=O)C[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000639568670 356494105 /nfs/dbraw/zinc/49/41/05/356494105.db2.gz CSMXRXMAWRMIDG-LBPRGKRZSA-N 1 2 246.314 1.605 20 0 BDADLO COCCO[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000179344594 366246675 /nfs/dbraw/zinc/24/66/75/366246675.db2.gz HOEXZBLLNLTILR-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO COCCO[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000179344594 366246684 /nfs/dbraw/zinc/24/66/84/366246684.db2.gz HOEXZBLLNLTILR-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO CCc1ccc([C@@H](COC)[NH2+]CC(C)=O)o1 ZINC000639577141 356498484 /nfs/dbraw/zinc/49/84/84/356498484.db2.gz CSGZOXSTQIUZRI-LLVKDONJSA-N 1 2 225.288 1.708 20 0 BDADLO CCC(F)(F)C[N@H+](C)CC1(O)CCC1 ZINC000639585468 356508168 /nfs/dbraw/zinc/50/81/68/356508168.db2.gz HOYXQBIGPMHACR-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CC1(O)CCC1 ZINC000639585468 356508173 /nfs/dbraw/zinc/50/81/73/356508173.db2.gz HOYXQBIGPMHACR-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CC[NH+](CC)Cc1nn(C)cc1Cl ZINC000420906300 192270641 /nfs/dbraw/zinc/27/06/41/192270641.db2.gz SFYAQMXVQPAVBG-UHFFFAOYSA-N 1 2 201.701 1.915 20 0 BDADLO O[C@H]1C[C@@H](C[N@H+](CC(F)F)C2CC2)C1 ZINC000420916070 192271109 /nfs/dbraw/zinc/27/11/09/192271109.db2.gz NSVFLIUPKATBTL-OTSSQURYSA-N 1 2 205.248 1.487 20 0 BDADLO O[C@H]1C[C@@H](C[N@@H+](CC(F)F)C2CC2)C1 ZINC000420916070 192271111 /nfs/dbraw/zinc/27/11/11/192271111.db2.gz NSVFLIUPKATBTL-OTSSQURYSA-N 1 2 205.248 1.487 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ncn(C)n1 ZINC000639602373 356521000 /nfs/dbraw/zinc/52/10/00/356521000.db2.gz SVCFAMVXFBCJDB-ZJUUUORDSA-N 1 2 238.335 1.281 20 0 BDADLO CC[C@H]1C[NH+](CC(=O)NC2CC2)C[C@H](CC)O1 ZINC000420946906 192275601 /nfs/dbraw/zinc/27/56/01/192275601.db2.gz MFXRTRLWDMQYKM-RYUDHWBXSA-N 1 2 240.347 1.154 20 0 BDADLO COc1ccc([C@@H](C)C[N@@H+]2CCNC(=O)C2)cc1 ZINC000179561713 366271289 /nfs/dbraw/zinc/27/12/89/366271289.db2.gz YSOWPJPVBDCVIT-NSHDSACASA-N 1 2 248.326 1.231 20 0 BDADLO COc1ccc([C@@H](C)C[N@H+]2CCNC(=O)C2)cc1 ZINC000179561713 366271298 /nfs/dbraw/zinc/27/12/98/366271298.db2.gz YSOWPJPVBDCVIT-NSHDSACASA-N 1 2 248.326 1.231 20 0 BDADLO C[C@H]1C[C@@H]1Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000350424295 366277778 /nfs/dbraw/zinc/27/77/78/366277778.db2.gz PVSXRTBSZWSKJN-DTWKUNHWSA-N 1 2 232.287 1.592 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)o1 ZINC000623295832 356542625 /nfs/dbraw/zinc/54/26/25/356542625.db2.gz UXIQRHOLYNXZFY-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO CC(=O)C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000639641140 356548712 /nfs/dbraw/zinc/54/87/12/356548712.db2.gz HSZWGYLMYBAOCW-UHFFFAOYSA-N 1 2 219.284 1.778 20 0 BDADLO CC(=O)C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000639641140 356548717 /nfs/dbraw/zinc/54/87/17/356548717.db2.gz HSZWGYLMYBAOCW-UHFFFAOYSA-N 1 2 219.284 1.778 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@]23CCOC3)n1 ZINC000421015419 192302570 /nfs/dbraw/zinc/30/25/70/192302570.db2.gz IEISQGIXGUMCHI-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@]23CCOC3)n1 ZINC000421015419 192302572 /nfs/dbraw/zinc/30/25/72/192302572.db2.gz IEISQGIXGUMCHI-LLVKDONJSA-N 1 2 224.329 1.816 20 0 BDADLO C[C@@H](C[NH+]1Cc2ccccc2C1)S(C)(=O)=O ZINC000336198950 134128200 /nfs/dbraw/zinc/12/82/00/134128200.db2.gz UAWDKDDPIPQLIF-JTQLQIEISA-N 1 2 239.340 1.435 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421023798 192305216 /nfs/dbraw/zinc/30/52/16/192305216.db2.gz RKFPDIQPQWTTAZ-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421023798 192305219 /nfs/dbraw/zinc/30/52/19/192305219.db2.gz RKFPDIQPQWTTAZ-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CC[C@]23CCOC3)c(C)[nH]1 ZINC000421024343 192305782 /nfs/dbraw/zinc/30/57/82/192305782.db2.gz RWFUBXXFAFYMQR-CQSZACIVSA-N 1 2 248.326 1.679 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CC[C@]23CCOC3)c(C)[nH]1 ZINC000421024343 192305783 /nfs/dbraw/zinc/30/57/83/192305783.db2.gz RWFUBXXFAFYMQR-CQSZACIVSA-N 1 2 248.326 1.679 20 0 BDADLO C[N@H+](CC(=O)c1ccccc1F)C1(CO)CC1 ZINC000639644274 356557269 /nfs/dbraw/zinc/55/72/69/356557269.db2.gz WONYHTGWAVTXJR-UHFFFAOYSA-N 1 2 237.274 1.465 20 0 BDADLO C[N@@H+](CC(=O)c1ccccc1F)C1(CO)CC1 ZINC000639644274 356557271 /nfs/dbraw/zinc/55/72/71/356557271.db2.gz WONYHTGWAVTXJR-UHFFFAOYSA-N 1 2 237.274 1.465 20 0 BDADLO CC(C)CCCC(=O)Nc1cc[nH+]cc1O ZINC000449848843 202043593 /nfs/dbraw/zinc/04/35/93/202043593.db2.gz HKEITCYTKJZEBE-UHFFFAOYSA-N 1 2 222.288 1.974 20 0 BDADLO CCC(F)(F)C[N@H+](C)CC(C)(C)CO ZINC000639660080 356567965 /nfs/dbraw/zinc/56/79/65/356567965.db2.gz UNDIMOUMELDWLE-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CC(C)(C)CO ZINC000639660080 356567968 /nfs/dbraw/zinc/56/79/68/356567968.db2.gz UNDIMOUMELDWLE-UHFFFAOYSA-N 1 2 209.280 1.982 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000449907404 202051040 /nfs/dbraw/zinc/05/10/40/202051040.db2.gz NJASXISFUKSUHF-MWLCHTKSSA-N 1 2 221.304 1.852 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000449907404 202051042 /nfs/dbraw/zinc/05/10/42/202051042.db2.gz NJASXISFUKSUHF-MWLCHTKSSA-N 1 2 221.304 1.852 20 0 BDADLO CC[N@H+](Cc1nc(CC2CC2)no1)[C@H](C)CO ZINC000639652174 356564161 /nfs/dbraw/zinc/56/41/61/356564161.db2.gz MQQNBCXVMWZKME-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CC[N@@H+](Cc1nc(CC2CC2)no1)[C@H](C)CO ZINC000639652174 356564162 /nfs/dbraw/zinc/56/41/62/356564162.db2.gz MQQNBCXVMWZKME-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)CCCC(=O)NCc1c[nH+]c[nH]1 ZINC000449907079 202051977 /nfs/dbraw/zinc/05/19/77/202051977.db2.gz LJXMIJNGUGSFBA-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CC(C)CCCC(=O)NCc1c[nH]c[nH+]1 ZINC000449907079 202051979 /nfs/dbraw/zinc/05/19/79/202051979.db2.gz LJXMIJNGUGSFBA-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000613565559 363495563 /nfs/dbraw/zinc/49/55/63/363495563.db2.gz ZBNFWDLMCTZKAD-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000613565559 363495569 /nfs/dbraw/zinc/49/55/69/363495569.db2.gz ZBNFWDLMCTZKAD-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303456 356593273 /nfs/dbraw/zinc/59/32/73/356593273.db2.gz CPYDEAGDVCKMBQ-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000639666696 356581072 /nfs/dbraw/zinc/58/10/72/356581072.db2.gz UNVOOMNVJOHPCI-MRVPVSSYSA-N 1 2 246.257 1.235 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000639666696 356581077 /nfs/dbraw/zinc/58/10/77/356581077.db2.gz UNVOOMNVJOHPCI-MRVPVSSYSA-N 1 2 246.257 1.235 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623307560 356611885 /nfs/dbraw/zinc/61/18/85/356611885.db2.gz JETWZHRFLVVMOI-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO O=C(CCC1CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305097 356599464 /nfs/dbraw/zinc/59/94/64/356599464.db2.gz LKMHLQJIFCGLNR-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000623307090 356605955 /nfs/dbraw/zinc/60/59/55/356605955.db2.gz ZPJRESWSMMRQRQ-FTYKPCCVSA-N 1 2 245.326 1.360 20 0 BDADLO OCc1cc[nH+]c(N2CCC(C3(O)CC3)CC2)c1 ZINC000630091402 363510171 /nfs/dbraw/zinc/51/01/71/363510171.db2.gz ABVQLQNEEHNGGJ-UHFFFAOYSA-N 1 2 248.326 1.315 20 0 BDADLO CC[C@H](O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000450179865 202091461 /nfs/dbraw/zinc/09/14/61/202091461.db2.gz GFEGKCAMEJKGGX-NSHDSACASA-N 1 2 247.298 1.112 20 0 BDADLO CNc1nc(N(C)CC2CC2)[nH+]c2ccccc21 ZINC000450262804 202115132 /nfs/dbraw/zinc/11/51/32/202115132.db2.gz OSTNKOARHDLPOM-UHFFFAOYSA-N 1 2 242.326 1.940 20 0 BDADLO CCC[N@@H+]1CC[C@H](CN=c2[nH]ncs2)C1 ZINC000450274800 202116433 /nfs/dbraw/zinc/11/64/33/202116433.db2.gz LAGXLMBEQWMTFE-SECBINFHSA-N 1 2 226.349 1.104 20 0 BDADLO CCC[N@H+]1CC[C@H](CN=c2[nH]ncs2)C1 ZINC000450274800 202116436 /nfs/dbraw/zinc/11/64/36/202116436.db2.gz LAGXLMBEQWMTFE-SECBINFHSA-N 1 2 226.349 1.104 20 0 BDADLO COCCCCc1noc(C[NH+](C)C)n1 ZINC000350643467 366314616 /nfs/dbraw/zinc/31/46/16/366314616.db2.gz CBBNQDIMITVALX-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO Cn1cc[nH+]c1CNc1ncnc2ccccc21 ZINC000041471398 358510412 /nfs/dbraw/zinc/51/04/12/358510412.db2.gz CBHFKLOBINZGQX-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO CNc1nc(N[C@H]2C[C@@H]2C)[nH+]c2ccccc21 ZINC000450307143 202125957 /nfs/dbraw/zinc/12/59/57/202125957.db2.gz FTELQGMPIIITIT-KWQFWETISA-N 1 2 228.299 1.914 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@@H]2CCCOC2)no1 ZINC000107801338 356674288 /nfs/dbraw/zinc/67/42/88/356674288.db2.gz WCQCJOMZWPYYIJ-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@@H]2CCCOC2)no1 ZINC000107801338 356674292 /nfs/dbraw/zinc/67/42/92/356674292.db2.gz WCQCJOMZWPYYIJ-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000450418401 202160725 /nfs/dbraw/zinc/16/07/25/202160725.db2.gz LYQDDUGKQXKLLN-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC(C)(C)O)s1 ZINC000450412891 202159155 /nfs/dbraw/zinc/15/91/55/202159155.db2.gz REMBILYCAYOLNX-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC(C)(C)O)s1 ZINC000450412891 202159158 /nfs/dbraw/zinc/15/91/58/202159158.db2.gz REMBILYCAYOLNX-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC=C(F)C1 ZINC000578162664 366344864 /nfs/dbraw/zinc/34/48/64/366344864.db2.gz FCKZCWIIODOLDR-UHFFFAOYSA-N 1 2 223.251 1.048 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000450423638 202159461 /nfs/dbraw/zinc/15/94/61/202159461.db2.gz OVJIQIDYLHAYED-USBNGQNGSA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000450423638 202159465 /nfs/dbraw/zinc/15/94/65/202159465.db2.gz OVJIQIDYLHAYED-USBNGQNGSA-N 1 2 245.388 1.587 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1C ZINC000639781588 356730572 /nfs/dbraw/zinc/73/05/72/356730572.db2.gz OLSKNHKDEZVECE-LLVKDONJSA-N 1 2 246.318 1.184 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1C ZINC000639781588 356730575 /nfs/dbraw/zinc/73/05/75/356730575.db2.gz OLSKNHKDEZVECE-LLVKDONJSA-N 1 2 246.318 1.184 20 0 BDADLO CCC(F)(F)CN(C)Cc1c[nH+]c[nH]1 ZINC000639784002 356736533 /nfs/dbraw/zinc/73/65/33/356736533.db2.gz VCEROWKRGSUYLP-UHFFFAOYSA-N 1 2 203.236 1.887 20 0 BDADLO CCC(F)(F)CN(C)Cc1c[nH]c[nH+]1 ZINC000639784002 356736538 /nfs/dbraw/zinc/73/65/38/356736538.db2.gz VCEROWKRGSUYLP-UHFFFAOYSA-N 1 2 203.236 1.887 20 0 BDADLO COC(=O)c1csc(C[N@H+](C)C2CCC2)n1 ZINC000450435879 202167941 /nfs/dbraw/zinc/16/79/41/202167941.db2.gz GDSIHCZFMPTEII-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO COC(=O)c1csc(C[N@@H+](C)C2CCC2)n1 ZINC000450435879 202167943 /nfs/dbraw/zinc/16/79/43/202167943.db2.gz GDSIHCZFMPTEII-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CC[C@@H](c1ccccc1)[N@H+](C)Cc1nnnn1C ZINC000355862168 356779168 /nfs/dbraw/zinc/77/91/68/356779168.db2.gz NVHPTINESPBJMR-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1nnnn1C ZINC000355862168 356779170 /nfs/dbraw/zinc/77/91/70/356779170.db2.gz NVHPTINESPBJMR-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2ncnn2C)c1 ZINC000088572050 356743301 /nfs/dbraw/zinc/74/33/01/356743301.db2.gz BPPPMOSIFNFKOI-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CCc1nc(C[N@H+](C)CCC(=O)OC)cs1 ZINC000049832430 356774635 /nfs/dbraw/zinc/77/46/35/356774635.db2.gz AGWWHEZUDPFNSC-UHFFFAOYSA-N 1 2 242.344 1.700 20 0 BDADLO CCc1nc(C[N@@H+](C)CCC(=O)OC)cs1 ZINC000049832430 356774636 /nfs/dbraw/zinc/77/46/36/356774636.db2.gz AGWWHEZUDPFNSC-UHFFFAOYSA-N 1 2 242.344 1.700 20 0 BDADLO CCc1cccnc1[C@H](C)[NH2+]Cc1nncn1C ZINC000356896571 356808729 /nfs/dbraw/zinc/80/87/29/356808729.db2.gz LJGRPMQTVQRPBN-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000639833645 356820276 /nfs/dbraw/zinc/82/02/76/356820276.db2.gz QBLMIFMAAXEOSW-JQWIXIFHSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000639833645 356820279 /nfs/dbraw/zinc/82/02/79/356820279.db2.gz QBLMIFMAAXEOSW-JQWIXIFHSA-N 1 2 222.288 1.447 20 0 BDADLO CC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC000352065077 538713379 /nfs/dbraw/zinc/71/33/79/538713379.db2.gz HGKJOZFXJVULDC-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC000352065077 538713392 /nfs/dbraw/zinc/71/33/92/538713392.db2.gz HGKJOZFXJVULDC-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO COC(=O)C1(C[N@H+](CC(F)F)C(C)C)CC1 ZINC000450498849 202187382 /nfs/dbraw/zinc/18/73/82/202187382.db2.gz JNMOZHVRHZYJNG-UHFFFAOYSA-N 1 2 235.274 1.915 20 0 BDADLO COC(=O)C1(C[N@@H+](CC(F)F)C(C)C)CC1 ZINC000450498849 202187384 /nfs/dbraw/zinc/18/73/84/202187384.db2.gz JNMOZHVRHZYJNG-UHFFFAOYSA-N 1 2 235.274 1.915 20 0 BDADLO CCN1CC[N@H+](CCCc2ccncc2)CC1=O ZINC000360628296 356909121 /nfs/dbraw/zinc/90/91/21/356909121.db2.gz OBOQLHZTZKCDHW-UHFFFAOYSA-N 1 2 247.342 1.178 20 0 BDADLO CCN1CC[N@@H+](CCCc2ccncc2)CC1=O ZINC000360628296 356909123 /nfs/dbraw/zinc/90/91/23/356909123.db2.gz OBOQLHZTZKCDHW-UHFFFAOYSA-N 1 2 247.342 1.178 20 0 BDADLO CC[N@H+](Cc1cn(C(C)C)nn1)[C@@H]1CCOC1 ZINC000361237319 356920705 /nfs/dbraw/zinc/92/07/05/356920705.db2.gz OKEXOGJBUSJCCB-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO CC[N@@H+](Cc1cn(C(C)C)nn1)[C@@H]1CCOC1 ZINC000361237319 356920709 /nfs/dbraw/zinc/92/07/09/356920709.db2.gz OKEXOGJBUSJCCB-GFCCVEGCSA-N 1 2 238.335 1.470 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)c1ccccn1 ZINC000359626785 356892094 /nfs/dbraw/zinc/89/20/94/356892094.db2.gz BPLDKAPTFFDIQZ-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)c1ccccn1 ZINC000359626785 356892096 /nfs/dbraw/zinc/89/20/96/356892096.db2.gz BPLDKAPTFFDIQZ-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1[nH]cc[nH+]1 ZINC000353450597 538742954 /nfs/dbraw/zinc/74/29/54/538742954.db2.gz UQNPRJHWJPXFGC-GXSJLCMTSA-N 1 2 244.298 1.287 20 0 BDADLO CCCCc1noc(C[N@H+](C)CCOC)n1 ZINC000054361403 363570948 /nfs/dbraw/zinc/57/09/48/363570948.db2.gz HAGSYYVZJHBNOP-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CCOC)n1 ZINC000054361403 363570953 /nfs/dbraw/zinc/57/09/53/363570953.db2.gz HAGSYYVZJHBNOP-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO COCC[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000054361445 363570879 /nfs/dbraw/zinc/57/08/79/363570879.db2.gz KIUXEVPKYCSNJE-UHFFFAOYSA-N 1 2 237.259 1.408 20 0 BDADLO O=C1C[C@@H]([C@H]2CCC[N@@H+](CC(F)F)C2)CN1 ZINC000671448508 491105648 /nfs/dbraw/zinc/10/56/48/491105648.db2.gz ADMIVSLDLHRVBF-DTWKUNHWSA-N 1 2 232.274 1.100 20 0 BDADLO O=C1C[C@@H]([C@H]2CCC[N@H+](CC(F)F)C2)CN1 ZINC000671448508 491105649 /nfs/dbraw/zinc/10/56/49/491105649.db2.gz ADMIVSLDLHRVBF-DTWKUNHWSA-N 1 2 232.274 1.100 20 0 BDADLO COCC[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000054361445 363570883 /nfs/dbraw/zinc/57/08/83/363570883.db2.gz KIUXEVPKYCSNJE-UHFFFAOYSA-N 1 2 237.259 1.408 20 0 BDADLO c1[nH]c(CN2CCC[C@H]2c2ncccn2)c[nH+]1 ZINC000639870135 357025735 /nfs/dbraw/zinc/02/57/35/357025735.db2.gz OPOXAMUJVDZSHE-NSHDSACASA-N 1 2 229.287 1.537 20 0 BDADLO c1[nH]cc(CN2CCC[C@H]2c2ncccn2)[nH+]1 ZINC000639870135 357025740 /nfs/dbraw/zinc/02/57/40/357025740.db2.gz OPOXAMUJVDZSHE-NSHDSACASA-N 1 2 229.287 1.537 20 0 BDADLO Cc1cc(NC(=O)N(C)C[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000626468529 357005288 /nfs/dbraw/zinc/00/52/88/357005288.db2.gz KCRACERKVPKLQI-KLPPZKSPSA-N 1 2 249.314 1.047 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CCS1 ZINC000390587758 357102696 /nfs/dbraw/zinc/10/26/96/357102696.db2.gz RJJOPLMHXPVDEI-RYUDHWBXSA-N 1 2 246.420 1.126 20 0 BDADLO CC[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CCS1 ZINC000390587758 357102700 /nfs/dbraw/zinc/10/27/00/357102700.db2.gz RJJOPLMHXPVDEI-RYUDHWBXSA-N 1 2 246.420 1.126 20 0 BDADLO CC[C@@H](O)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000354683818 538780279 /nfs/dbraw/zinc/78/02/79/538780279.db2.gz FPNULLBMQMUYFU-LLVKDONJSA-N 1 2 239.319 1.010 20 0 BDADLO CC[C@@H](O)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000354683818 538780288 /nfs/dbraw/zinc/78/02/88/538780288.db2.gz FPNULLBMQMUYFU-LLVKDONJSA-N 1 2 239.319 1.010 20 0 BDADLO CC(=O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000639879937 357113493 /nfs/dbraw/zinc/11/34/93/357113493.db2.gz YOQONBIQHBRRRY-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO CC(=O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000639879937 357113494 /nfs/dbraw/zinc/11/34/94/357113494.db2.gz YOQONBIQHBRRRY-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO CC(C)(CF)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356799543 538817716 /nfs/dbraw/zinc/81/77/16/538817716.db2.gz VMUCSDMGUJFSOI-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO CC(C)(CF)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356799543 538817727 /nfs/dbraw/zinc/81/77/27/538817727.db2.gz VMUCSDMGUJFSOI-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO CCc1nc(N2CCOCC[C@@H]2C)cc(C)[nH+]1 ZINC000376399755 357201714 /nfs/dbraw/zinc/20/17/14/357201714.db2.gz YTCMPZHQSRFTHL-NSHDSACASA-N 1 2 235.331 1.963 20 0 BDADLO CC(C)CC1(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000356784260 538818069 /nfs/dbraw/zinc/81/80/69/538818069.db2.gz STSQRXZLNLKQSE-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO CCc1nc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)no1 ZINC000305235493 357189316 /nfs/dbraw/zinc/18/93/16/357189316.db2.gz NKOSTPOKZZVWMV-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)no1 ZINC000305235493 357189320 /nfs/dbraw/zinc/18/93/20/357189320.db2.gz NKOSTPOKZZVWMV-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1nnsc1CN1CC[NH+](C2CC2)CC1 ZINC000582464845 357288449 /nfs/dbraw/zinc/28/84/49/357288449.db2.gz XPMFTXIXPJXKCS-UHFFFAOYSA-N 1 2 238.360 1.127 20 0 BDADLO c1ccc(C[NH+]2CC3(C2)CCCO3)nc1 ZINC000628426626 357255181 /nfs/dbraw/zinc/25/51/81/357255181.db2.gz BLTVHGGCTHJIMJ-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)C[C@@H]1F ZINC000582721616 357371318 /nfs/dbraw/zinc/37/13/18/357371318.db2.gz VBDNWKYSGVJMLE-ONGXEEELSA-N 1 2 223.251 1.015 20 0 BDADLO Cc1cnc(C)nc1NC[C@H](C)Cn1cc[nH+]c1 ZINC000582735911 357376382 /nfs/dbraw/zinc/37/63/82/357376382.db2.gz PAARKLDGXFLEQB-JTQLQIEISA-N 1 2 245.330 1.460 20 0 BDADLO CCN(CC1CCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000357676494 538831585 /nfs/dbraw/zinc/83/15/85/538831585.db2.gz PRIZRMCAVDMIGV-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCN(CC1CCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000357676494 538831595 /nfs/dbraw/zinc/83/15/95/538831595.db2.gz PRIZRMCAVDMIGV-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H](CC(=O)NCCCCCO)n1cc[nH+]c1 ZINC000582610857 357351271 /nfs/dbraw/zinc/35/12/71/357351271.db2.gz BQXWJFJMGASLTK-LLVKDONJSA-N 1 2 239.319 1.113 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)Cc1ccon1 ZINC000582617345 357354371 /nfs/dbraw/zinc/35/43/71/357354371.db2.gz UPDJSYBKWIYXBQ-UHFFFAOYSA-N 1 2 218.260 1.718 20 0 BDADLO CC[N@H+](CC(=O)NCC(C)C)Cc1ccoc1 ZINC000102409034 357388669 /nfs/dbraw/zinc/38/86/69/357388669.db2.gz XUFOBBRPKMVSNU-UHFFFAOYSA-N 1 2 238.331 1.874 20 0 BDADLO CC[N@@H+](CC(=O)NCC(C)C)Cc1ccoc1 ZINC000102409034 357388672 /nfs/dbraw/zinc/38/86/72/357388672.db2.gz XUFOBBRPKMVSNU-UHFFFAOYSA-N 1 2 238.331 1.874 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000582785314 357392734 /nfs/dbraw/zinc/39/27/34/357392734.db2.gz ARIVAJGGYZNUND-SRVKXCTJSA-N 1 2 243.347 1.731 20 0 BDADLO CCc1cnc(C[NH2+]Cc2ccno2)s1 ZINC000394929650 357399957 /nfs/dbraw/zinc/39/99/57/357399957.db2.gz BLCFXWUNRLMORQ-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO C[C@H](CC(=O)NCc1ccn(C)c1)n1cc[nH+]c1 ZINC000582907472 357433098 /nfs/dbraw/zinc/43/30/98/357433098.db2.gz IAQPJFZGFOOOHC-LLVKDONJSA-N 1 2 246.314 1.489 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000582915987 357436315 /nfs/dbraw/zinc/43/63/15/357436315.db2.gz KLPYTENGCOSCPX-FOGDFJRCSA-N 1 2 235.331 1.741 20 0 BDADLO Cc1cccc(C[NH2+]Cc2ccn(C)n2)n1 ZINC000112341852 357502063 /nfs/dbraw/zinc/50/20/63/357502063.db2.gz OXFBCHPGCZKJMB-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO CCC(CC)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000583019150 357450703 /nfs/dbraw/zinc/45/07/03/357450703.db2.gz QEFMJWCRPYQTTA-VIFPVBQESA-N 1 2 227.333 1.448 20 0 BDADLO CC(F)(F)C[NH2+]CCC(=O)Nc1cccnc1 ZINC000583020432 357451701 /nfs/dbraw/zinc/45/17/01/357451701.db2.gz YWICIVBQQFYGTQ-UHFFFAOYSA-N 1 2 243.257 1.655 20 0 BDADLO CSCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000189540029 357644115 /nfs/dbraw/zinc/64/41/15/357644115.db2.gz WYBVPGXAPXLDNL-LBPRGKRZSA-N 1 2 240.372 1.761 20 0 BDADLO CSCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000189540029 357644116 /nfs/dbraw/zinc/64/41/16/357644116.db2.gz WYBVPGXAPXLDNL-LBPRGKRZSA-N 1 2 240.372 1.761 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cncc(C)c2)CCO1 ZINC000189899406 357668640 /nfs/dbraw/zinc/66/86/40/357668640.db2.gz IEEIOTFUMHOCJN-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cncc(C)c2)CCO1 ZINC000189899406 357668645 /nfs/dbraw/zinc/66/86/45/357668645.db2.gz IEEIOTFUMHOCJN-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000232588462 357672140 /nfs/dbraw/zinc/67/21/40/357672140.db2.gz UMMHZIJRLWHOJZ-PWSUYJOCSA-N 1 2 241.331 1.485 20 0 BDADLO CCC[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000063761743 357717338 /nfs/dbraw/zinc/71/73/38/357717338.db2.gz LZXQEKFNBMLYSR-UHFFFAOYSA-N 1 2 231.303 1.504 20 0 BDADLO CCC[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000063761743 357717343 /nfs/dbraw/zinc/71/73/43/357717343.db2.gz LZXQEKFNBMLYSR-UHFFFAOYSA-N 1 2 231.303 1.504 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccs1 ZINC000190084508 357683464 /nfs/dbraw/zinc/68/34/64/357683464.db2.gz BOSDRYYLIZBMFP-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccs1 ZINC000190084508 357683466 /nfs/dbraw/zinc/68/34/66/357683466.db2.gz BOSDRYYLIZBMFP-VIFPVBQESA-N 1 2 224.329 1.411 20 0 BDADLO CCc1occc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000234145549 357775454 /nfs/dbraw/zinc/77/54/54/357775454.db2.gz ICMGFXFUMQXJNX-UHFFFAOYSA-N 1 2 233.271 1.538 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCCC(C)C)[C@@H](C)O ZINC000191016341 357742815 /nfs/dbraw/zinc/74/28/15/357742815.db2.gz MNBGOULKWBTEIW-QJPTWQEYSA-N 1 2 245.363 1.713 20 0 BDADLO Cc1ocnc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000397904451 357797540 /nfs/dbraw/zinc/79/75/40/357797540.db2.gz XXQVYVWDTAMPQM-QMMMGPOBSA-N 1 2 238.209 1.386 20 0 BDADLO CC[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000055276198 363589562 /nfs/dbraw/zinc/58/95/62/363589562.db2.gz TTYUFASHAAEAAT-LBPRGKRZSA-N 1 2 247.342 1.776 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@H](C)O ZINC000191964467 357807103 /nfs/dbraw/zinc/80/71/03/357807103.db2.gz DYGMDHUZEXHYOD-AXFHLTTASA-N 1 2 243.347 1.467 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1C)[C@@H](C)O ZINC000191963163 357807319 /nfs/dbraw/zinc/80/73/19/357807319.db2.gz LKMGFYFLGTZELK-QCNOEVLYSA-N 1 2 243.347 1.325 20 0 BDADLO Cn1nnc(C[NH2+][C@H]2CCc3c2cccc3F)n1 ZINC000398100714 357837566 /nfs/dbraw/zinc/83/75/66/357837566.db2.gz WYKOMXQEKXIWFV-NSHDSACASA-N 1 2 247.277 1.126 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926206 357841810 /nfs/dbraw/zinc/84/18/10/357841810.db2.gz USABWNJZBSJXGB-NSHDSACASA-N 1 2 222.288 1.409 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926206 357841813 /nfs/dbraw/zinc/84/18/13/357841813.db2.gz USABWNJZBSJXGB-NSHDSACASA-N 1 2 222.288 1.409 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccsc1 ZINC000398110152 357842910 /nfs/dbraw/zinc/84/29/10/357842910.db2.gz MNIOUDQYQCJFOE-SECBINFHSA-N 1 2 237.332 1.513 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC(C)(C)[C@@H]2c2ccco2)C1=O ZINC000639928339 357877755 /nfs/dbraw/zinc/87/77/55/357877755.db2.gz WDHWSTRSRMMLLT-PWSUYJOCSA-N 1 2 248.326 1.893 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC(C)(C)[C@@H]2c2ccco2)C1=O ZINC000639928339 357877757 /nfs/dbraw/zinc/87/77/57/357877757.db2.gz WDHWSTRSRMMLLT-PWSUYJOCSA-N 1 2 248.326 1.893 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)[C@H]1CCCOC1 ZINC000583828267 357963183 /nfs/dbraw/zinc/96/31/83/357963183.db2.gz UTWRVRKAHDBMRG-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)[C@H]1CCCOC1 ZINC000583828267 357963188 /nfs/dbraw/zinc/96/31/88/357963188.db2.gz UTWRVRKAHDBMRG-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CCC1(C)C ZINC000583764125 357938437 /nfs/dbraw/zinc/93/84/37/357938437.db2.gz YEKNYGUNPCXCJX-MRVPVSSYSA-N 1 2 246.318 1.376 20 0 BDADLO CC(C)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610448280 357942227 /nfs/dbraw/zinc/94/22/27/357942227.db2.gz DSKQOGSLXRTXST-JTQLQIEISA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610448280 357942232 /nfs/dbraw/zinc/94/22/32/357942232.db2.gz DSKQOGSLXRTXST-JTQLQIEISA-N 1 2 229.320 1.437 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000583851101 357972975 /nfs/dbraw/zinc/97/29/75/357972975.db2.gz IZKAAIBGKCEBTG-ZJUUUORDSA-N 1 2 232.287 1.856 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000639967613 358020963 /nfs/dbraw/zinc/02/09/63/358020963.db2.gz KAAMHRQNMVBYMM-UHFFFAOYSA-N 1 2 238.335 1.066 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000639967613 358020965 /nfs/dbraw/zinc/02/09/65/358020965.db2.gz KAAMHRQNMVBYMM-UHFFFAOYSA-N 1 2 238.335 1.066 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1ccnn1C ZINC000639970716 358023928 /nfs/dbraw/zinc/02/39/28/358023928.db2.gz JDDBSYYSOBMCIT-UHFFFAOYSA-N 1 2 233.319 1.126 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1ccnn1C ZINC000639970716 358023929 /nfs/dbraw/zinc/02/39/29/358023929.db2.gz JDDBSYYSOBMCIT-UHFFFAOYSA-N 1 2 233.319 1.126 20 0 BDADLO Cc1noc(C[NH+]2CCC(CCF)CC2)n1 ZINC000639987719 358026984 /nfs/dbraw/zinc/02/69/84/358026984.db2.gz NXDNIKJRNLEHNP-UHFFFAOYSA-N 1 2 227.283 1.950 20 0 BDADLO O=c1[nH]nc(C[NH+]2CCC(CCF)CC2)[nH]1 ZINC000639989424 358029548 /nfs/dbraw/zinc/02/95/48/358029548.db2.gz FDZXVPIWJFWDMP-UHFFFAOYSA-N 1 2 228.271 1.082 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cccnc1N ZINC000347786111 535386728 /nfs/dbraw/zinc/38/67/28/535386728.db2.gz NIZBBCHFUNXGGV-UHFFFAOYSA-N 1 2 245.330 1.419 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cccnc1N ZINC000347786111 535386731 /nfs/dbraw/zinc/38/67/31/535386731.db2.gz NIZBBCHFUNXGGV-UHFFFAOYSA-N 1 2 245.330 1.419 20 0 BDADLO Cc1cnccc1CNc1nc(C)[nH+]cc1C ZINC000584541175 358050293 /nfs/dbraw/zinc/05/02/93/358050293.db2.gz YKRDGGAENDELLO-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C(C)C)C2)o1 ZINC000076064187 325328556 /nfs/dbraw/zinc/32/85/56/325328556.db2.gz DKXXVMBYCOVSFN-JTQLQIEISA-N 1 2 241.360 1.951 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C(C)C)C2)o1 ZINC000076064187 325328559 /nfs/dbraw/zinc/32/85/59/325328559.db2.gz DKXXVMBYCOVSFN-JTQLQIEISA-N 1 2 241.360 1.951 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](CCF)C2)o1 ZINC000628459248 358093710 /nfs/dbraw/zinc/09/37/10/358093710.db2.gz NVEXTGBIUUCIPS-SNVBAGLBSA-N 1 2 228.267 1.543 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](CCF)C2)o1 ZINC000628459248 358093711 /nfs/dbraw/zinc/09/37/11/358093711.db2.gz NVEXTGBIUUCIPS-SNVBAGLBSA-N 1 2 228.267 1.543 20 0 BDADLO FCC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000628459031 358093833 /nfs/dbraw/zinc/09/38/33/358093833.db2.gz KALDHVDTYMOVNG-SECBINFHSA-N 1 2 205.248 1.549 20 0 BDADLO FCC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000628459031 358093834 /nfs/dbraw/zinc/09/38/34/358093834.db2.gz KALDHVDTYMOVNG-SECBINFHSA-N 1 2 205.248 1.549 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](CCF)C2)[nH+]c1C ZINC000628459026 358093840 /nfs/dbraw/zinc/09/38/40/358093840.db2.gz JZGYJCKMHSPHRN-NSHDSACASA-N 1 2 241.310 1.587 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC(C)(F)CC2)[nH]1 ZINC000640071493 358162049 /nfs/dbraw/zinc/16/20/49/358162049.db2.gz OSYNGZZHKOEEHP-QMMMGPOBSA-N 1 2 226.299 1.998 20 0 BDADLO CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)OC ZINC000584784136 358177649 /nfs/dbraw/zinc/17/76/49/358177649.db2.gz MAGNTRZKRCFUNK-GHMZBOCLSA-N 1 2 239.319 1.375 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C)CCC1 ZINC000584788289 358179474 /nfs/dbraw/zinc/17/94/74/358179474.db2.gz KKGQKGOPXPDATL-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C)CCC1 ZINC000584788289 358179476 /nfs/dbraw/zinc/17/94/76/358179476.db2.gz KKGQKGOPXPDATL-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO CCC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000450628360 202217436 /nfs/dbraw/zinc/21/74/36/202217436.db2.gz VRXLYFVLPYZDCA-JTQLQIEISA-N 1 2 229.320 1.223 20 0 BDADLO CC(C)(CO)CCNc1cc[nH+]c2ccncc12 ZINC000450631659 202217650 /nfs/dbraw/zinc/21/76/50/202217650.db2.gz ZJIKJNFOJOUDLZ-UHFFFAOYSA-N 1 2 245.326 1.872 20 0 BDADLO c1cn(CCCN2CCCCCO2)c[nH+]1 ZINC000640122318 358201796 /nfs/dbraw/zinc/20/17/96/358201796.db2.gz IYKUMPSXXIOIHD-UHFFFAOYSA-N 1 2 209.293 1.691 20 0 BDADLO CC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000450696305 202233280 /nfs/dbraw/zinc/23/32/80/202233280.db2.gz SEJRFAKMXWSURW-VOTSOKGWSA-N 1 2 221.308 1.046 20 0 BDADLO CC/C=C/CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000450696305 202233282 /nfs/dbraw/zinc/23/32/82/202233282.db2.gz SEJRFAKMXWSURW-VOTSOKGWSA-N 1 2 221.308 1.046 20 0 BDADLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000450733342 202248185 /nfs/dbraw/zinc/24/81/85/202248185.db2.gz OZYUAZHWEGMDDJ-DTWKUNHWSA-N 1 2 241.335 1.474 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](C)[C@H](C)CO)no1 ZINC000450731780 202249341 /nfs/dbraw/zinc/24/93/41/202249341.db2.gz AOMCPTMVCNYLTH-BDAKNGLRSA-N 1 2 227.308 1.129 20 0 BDADLO CO[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000450753048 202257063 /nfs/dbraw/zinc/25/70/63/202257063.db2.gz GNOLHOJKNUAACR-GXSJLCMTSA-N 1 2 221.304 1.646 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000450766963 202260342 /nfs/dbraw/zinc/26/03/42/202260342.db2.gz FLRSYSWBZYFIQU-GFCCVEGCSA-N 1 2 248.326 1.106 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000450766963 202260344 /nfs/dbraw/zinc/26/03/44/202260344.db2.gz FLRSYSWBZYFIQU-GFCCVEGCSA-N 1 2 248.326 1.106 20 0 BDADLO c1ncc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000130504141 491128217 /nfs/dbraw/zinc/12/82/17/491128217.db2.gz MXABCNODRMDCNA-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO c1ncc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000130504141 491128218 /nfs/dbraw/zinc/12/82/18/491128218.db2.gz MXABCNODRMDCNA-UHFFFAOYSA-N 1 2 219.288 1.232 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242522 358343196 /nfs/dbraw/zinc/34/31/96/358343196.db2.gz HCISLGJIMAANQA-WYUUTHIRSA-N 1 2 242.363 1.399 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242522 358343202 /nfs/dbraw/zinc/34/32/02/358343202.db2.gz HCISLGJIMAANQA-WYUUTHIRSA-N 1 2 242.363 1.399 20 0 BDADLO CC(C)n1cc(OCc2c[nH+]cn2C)cn1 ZINC000228148766 358369400 /nfs/dbraw/zinc/36/94/00/358369400.db2.gz OULDVAVQKXEYLP-UHFFFAOYSA-N 1 2 220.276 1.777 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)[C@@H](C)O1 ZINC000633133504 358411473 /nfs/dbraw/zinc/41/14/73/358411473.db2.gz XEGCXMBVRJQFLZ-OPRDCNLKSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)[C@@H](C)O1 ZINC000633133504 358411477 /nfs/dbraw/zinc/41/14/77/358411477.db2.gz XEGCXMBVRJQFLZ-OPRDCNLKSA-N 1 2 249.314 1.108 20 0 BDADLO CC(C)CCc1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000351187768 366445522 /nfs/dbraw/zinc/44/55/22/366445522.db2.gz SACUCKHFKPLUFL-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)CCc1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000351187768 366445527 /nfs/dbraw/zinc/44/55/27/366445527.db2.gz SACUCKHFKPLUFL-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(-c3ccco3)no2)C1 ZINC000351189925 366446246 /nfs/dbraw/zinc/44/62/46/366446246.db2.gz MUQAWCZQBHMIRD-VIFPVBQESA-N 1 2 235.243 1.333 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(-c3ccco3)no2)C1 ZINC000351189925 366446251 /nfs/dbraw/zinc/44/62/51/366446251.db2.gz MUQAWCZQBHMIRD-VIFPVBQESA-N 1 2 235.243 1.333 20 0 BDADLO Cc1ccc(O)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000041904527 358516023 /nfs/dbraw/zinc/51/60/23/358516023.db2.gz IYJNFHSHAVFRIT-UHFFFAOYSA-N 1 2 245.282 1.327 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130509495 358630297 /nfs/dbraw/zinc/63/02/97/358630297.db2.gz JSQDXMWDAFWALF-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO Cc1cc(N(C)Cc2c[nH+]cn2C)n[nH]1 ZINC000640189445 358585336 /nfs/dbraw/zinc/58/53/36/358585336.db2.gz CUDUUJZGJFICMQ-UHFFFAOYSA-N 1 2 205.265 1.088 20 0 BDADLO Cc1cc(N(C)Cc2[nH+]ccn2C)n[nH]1 ZINC000640189499 358586026 /nfs/dbraw/zinc/58/60/26/358586026.db2.gz FNZYKOYBYAUBPQ-UHFFFAOYSA-N 1 2 205.265 1.088 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1coc2ccccc12 ZINC000130959498 358654484 /nfs/dbraw/zinc/65/44/84/358654484.db2.gz NVHOVHBKBJOPRU-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2ccn(C)n2)cn1 ZINC000213171985 358671311 /nfs/dbraw/zinc/67/13/11/358671311.db2.gz IFQFGFNOYVQBIN-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccncc1 ZINC000049316098 358682287 /nfs/dbraw/zinc/68/22/87/358682287.db2.gz FIKKJUMYOUJIHL-UHFFFAOYSA-N 1 2 242.282 1.795 20 0 BDADLO CC[N@H+](CCO[C@H]1CCCCO1)CC(=O)OC ZINC000050066205 358711235 /nfs/dbraw/zinc/71/12/35/358711235.db2.gz KQYBIPAOQYGQCC-LBPRGKRZSA-N 1 2 245.319 1.025 20 0 BDADLO CC[N@@H+](CCO[C@H]1CCCCO1)CC(=O)OC ZINC000050066205 358711238 /nfs/dbraw/zinc/71/12/38/358711238.db2.gz KQYBIPAOQYGQCC-LBPRGKRZSA-N 1 2 245.319 1.025 20 0 BDADLO Cc1cc(N[C@H](C)C(=O)N2CCCCC2)nc[nH+]1 ZINC000134646103 358800554 /nfs/dbraw/zinc/80/05/54/358800554.db2.gz ORDKLXASJZIHSB-LLVKDONJSA-N 1 2 248.330 1.598 20 0 BDADLO O=C(CCCF)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000613670861 363618621 /nfs/dbraw/zinc/61/86/21/363618621.db2.gz UIUAVONBLXKEEB-SECBINFHSA-N 1 2 225.267 1.064 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n[nH]1 ZINC000135970305 358858367 /nfs/dbraw/zinc/85/83/67/358858367.db2.gz YTXPGWYBBXRUOS-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000135365000 358833634 /nfs/dbraw/zinc/83/36/34/358833634.db2.gz VSLWWRIUQVFVFZ-GHMZBOCLSA-N 1 2 249.310 1.704 20 0 BDADLO CC[C@@H](Nc1nccn2cnnc12)c1[nH]cc[nH+]1 ZINC000139800327 358913478 /nfs/dbraw/zinc/91/34/78/358913478.db2.gz PAHAIMBKANQONK-MRVPVSSYSA-N 1 2 243.274 1.411 20 0 BDADLO CC[C@H](NC(=O)c1cccc(O)c1)c1[nH]cc[nH+]1 ZINC000139746972 358913901 /nfs/dbraw/zinc/91/39/01/358913901.db2.gz GTYIZDJEEHAZKD-NSHDSACASA-N 1 2 245.282 1.996 20 0 BDADLO CC[C@@H](NC(=O)c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000140463314 358922473 /nfs/dbraw/zinc/92/24/73/358922473.db2.gz CHRBHYGSNGYJRT-SECBINFHSA-N 1 2 233.275 1.024 20 0 BDADLO COc1ccccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070978922 359067464 /nfs/dbraw/zinc/06/74/64/359067464.db2.gz XTKIEBBNSKDBOH-UHFFFAOYSA-N 1 2 245.282 1.691 20 0 BDADLO COc1cccc(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990170 359068938 /nfs/dbraw/zinc/06/89/38/359068938.db2.gz RASFNPKRXXNMAA-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO Cn1cc[nH+]c1CNc1cnc2ccccc2n1 ZINC000071140358 359072154 /nfs/dbraw/zinc/07/21/54/359072154.db2.gz PTLLZEZNCOAUEN-UHFFFAOYSA-N 1 2 239.282 1.975 20 0 BDADLO COC(=O)c1occc1C[NH2+]Cc1ccnn1C ZINC000071333548 359076350 /nfs/dbraw/zinc/07/63/50/359076350.db2.gz ZLWMUGLZTGLMLM-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000072032806 359084387 /nfs/dbraw/zinc/08/43/87/359084387.db2.gz QSPCNNCCNXOHAF-UHFFFAOYSA-N 1 2 233.246 1.648 20 0 BDADLO Cc1nn(C)c(C)c1N[C@H](C)c1[nH+]ccn1C ZINC000070443611 359054277 /nfs/dbraw/zinc/05/42/77/359054277.db2.gz JDWWXSVNQORPMY-SECBINFHSA-N 1 2 233.319 1.944 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448694 359119335 /nfs/dbraw/zinc/11/93/35/359119335.db2.gz JYGUQUXJXNYXQU-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO CNC(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000074448694 359119337 /nfs/dbraw/zinc/11/93/37/359119337.db2.gz JYGUQUXJXNYXQU-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO C[C@H](CNC(=O)[C@H]1C[C@H]1C1CC1)Cn1cc[nH+]c1 ZINC000246577484 359148521 /nfs/dbraw/zinc/14/85/21/359148521.db2.gz VUKPNCGTKQWNRP-WXHSDQCUSA-N 1 2 247.342 1.682 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000247673769 359240022 /nfs/dbraw/zinc/24/00/22/359240022.db2.gz QLRZEZXTHQTVSB-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1c[nH]nc1C ZINC000611274635 359288265 /nfs/dbraw/zinc/28/82/65/359288265.db2.gz FJDJNMFLYRMXEE-NSHDSACASA-N 1 2 239.319 1.492 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1c[nH]nc1C ZINC000611274635 359288270 /nfs/dbraw/zinc/28/82/70/359288270.db2.gz FJDJNMFLYRMXEE-NSHDSACASA-N 1 2 239.319 1.492 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](CCCO)C1CC1 ZINC000404246647 359370049 /nfs/dbraw/zinc/37/00/49/359370049.db2.gz VKXPGFGMZAYGTM-UHFFFAOYSA-N 1 2 236.315 1.055 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](CCCO)C1CC1 ZINC000404246647 359370054 /nfs/dbraw/zinc/37/00/54/359370054.db2.gz VKXPGFGMZAYGTM-UHFFFAOYSA-N 1 2 236.315 1.055 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000078656577 359341144 /nfs/dbraw/zinc/34/11/44/359341144.db2.gz VHMPEHLXUNJIKA-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000078656577 359341145 /nfs/dbraw/zinc/34/11/45/359341145.db2.gz VHMPEHLXUNJIKA-LLVKDONJSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000611648508 359408576 /nfs/dbraw/zinc/40/85/76/359408576.db2.gz BUXFMKRNIPPAHY-DDHJBXDOSA-N 1 2 247.342 1.638 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000611651214 359410667 /nfs/dbraw/zinc/41/06/67/359410667.db2.gz OOIOFSUOFHOIDF-AXFHLTTASA-N 1 2 247.342 1.629 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000611651214 359410671 /nfs/dbraw/zinc/41/06/71/359410671.db2.gz OOIOFSUOFHOIDF-AXFHLTTASA-N 1 2 247.342 1.629 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611669112 359413962 /nfs/dbraw/zinc/41/39/62/359413962.db2.gz YVGQQJCNDMRRFS-MIMYLULJSA-N 1 2 229.295 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611669112 359413969 /nfs/dbraw/zinc/41/39/69/359413969.db2.gz YVGQQJCNDMRRFS-MIMYLULJSA-N 1 2 229.295 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502045 359384542 /nfs/dbraw/zinc/38/45/42/359384542.db2.gz MHUZWOJBQKPSPB-KXUCPTDWSA-N 1 2 217.284 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502045 359384544 /nfs/dbraw/zinc/38/45/44/359384544.db2.gz MHUZWOJBQKPSPB-KXUCPTDWSA-N 1 2 217.284 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611502044 359384617 /nfs/dbraw/zinc/38/46/17/359384617.db2.gz MHUZWOJBQKPSPB-GUBZILKMSA-N 1 2 217.284 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611502044 359384619 /nfs/dbraw/zinc/38/46/19/359384619.db2.gz MHUZWOJBQKPSPB-GUBZILKMSA-N 1 2 217.284 1.618 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000611934316 359480795 /nfs/dbraw/zinc/48/07/95/359480795.db2.gz CRYPDCKMXGYMEP-GMTAPVOTSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000611795312 359452682 /nfs/dbraw/zinc/45/26/82/359452682.db2.gz PSLODOZLMMEMNB-NOZJJQNGSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000611934316 359480792 /nfs/dbraw/zinc/48/07/92/359480792.db2.gz CRYPDCKMXGYMEP-GMTAPVOTSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC(C)(C)C1)CC2 ZINC000626708138 359516398 /nfs/dbraw/zinc/51/63/98/359516398.db2.gz CPFRPWAXMCWYPD-NSHDSACASA-N 1 2 247.342 1.622 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000191363201 359563835 /nfs/dbraw/zinc/56/38/35/359563835.db2.gz ZHHHCUGOYVNNSU-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](CC(=O)N1CCCC1)n1cc[nH+]c1 ZINC000574993529 359529287 /nfs/dbraw/zinc/52/92/87/359529287.db2.gz XBRRWRNXQMNYDY-SNVBAGLBSA-N 1 2 207.277 1.457 20 0 BDADLO COC(=O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000035055303 359649305 /nfs/dbraw/zinc/64/93/05/359649305.db2.gz QAUICGHZVQVJKM-AWEZNQCLSA-N 1 2 249.310 1.909 20 0 BDADLO Clc1cnc(C[N@@H+]2CCCOCC2)cn1 ZINC000231280733 359693471 /nfs/dbraw/zinc/69/34/71/359693471.db2.gz FEUOETKINMGAED-UHFFFAOYSA-N 1 2 227.695 1.352 20 0 BDADLO Clc1cnc(C[N@H+]2CCCOCC2)cn1 ZINC000231280733 359693477 /nfs/dbraw/zinc/69/34/77/359693477.db2.gz FEUOETKINMGAED-UHFFFAOYSA-N 1 2 227.695 1.352 20 0 BDADLO Cc1cc(N[C@H]2COCC2(C)C)nc(C2CC2)[nH+]1 ZINC000450857253 202290550 /nfs/dbraw/zinc/29/05/50/202290550.db2.gz QNBCZQSFXRHWHZ-NSHDSACASA-N 1 2 247.342 1.921 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000612188945 359728915 /nfs/dbraw/zinc/72/89/15/359728915.db2.gz ZRXQFSIEJDROHX-IJLUTSLNSA-N 1 2 247.342 1.782 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000533116363 359735732 /nfs/dbraw/zinc/73/57/32/359735732.db2.gz QTYRKLUHTQPYMJ-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO Cc1cc(N[C@@H](C)Cc2cnn(C)c2)nc[nH+]1 ZINC000450849773 202287176 /nfs/dbraw/zinc/28/71/76/202287176.db2.gz ZIVHTHMGBMZVMA-JTQLQIEISA-N 1 2 231.303 1.562 20 0 BDADLO CCC(=O)CCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000450850061 202287287 /nfs/dbraw/zinc/28/72/87/202287287.db2.gz ZXDLZIKISXAFKX-QWRGUYRKSA-N 1 2 245.388 1.587 20 0 BDADLO COC(=O)C1(C[N@@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC000450848152 202288249 /nfs/dbraw/zinc/28/82/49/202288249.db2.gz QXOAYPNLKCEYLQ-SECBINFHSA-N 1 2 247.285 1.917 20 0 BDADLO COC(=O)C1(C[N@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC000450848152 202288251 /nfs/dbraw/zinc/28/82/51/202288251.db2.gz QXOAYPNLKCEYLQ-SECBINFHSA-N 1 2 247.285 1.917 20 0 BDADLO C[N@H+](Cc1cn(CC2CC2)nn1)[C@@H]1CC1(C)C ZINC000450882007 202295980 /nfs/dbraw/zinc/29/59/80/202295980.db2.gz ZZBLXNZIOOVNIT-GFCCVEGCSA-N 1 2 234.347 1.918 20 0 BDADLO C[N@@H+](Cc1cn(CC2CC2)nn1)[C@@H]1CC1(C)C ZINC000450882007 202295982 /nfs/dbraw/zinc/29/59/82/202295982.db2.gz ZZBLXNZIOOVNIT-GFCCVEGCSA-N 1 2 234.347 1.918 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)C2CCCC2)[nH+]1 ZINC000450923633 202310568 /nfs/dbraw/zinc/31/05/68/202310568.db2.gz JMMNMNMFQDFEMH-VIFPVBQESA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H](C)C2CCCC2)nc(N(C)C)[nH+]1 ZINC000450923633 202310572 /nfs/dbraw/zinc/31/05/72/202310572.db2.gz JMMNMNMFQDFEMH-VIFPVBQESA-N 1 2 249.362 1.659 20 0 BDADLO CC[C@H](NC(=O)[C@H](O)C1CCC1)c1[nH]cc[nH+]1 ZINC000450927484 202311569 /nfs/dbraw/zinc/31/15/69/202311569.db2.gz CFADZXKHOCLHLQ-VHSXEESVSA-N 1 2 237.303 1.138 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000450941097 202317842 /nfs/dbraw/zinc/31/78/42/202317842.db2.gz MZDKPJMOIFEKGV-UFBFGSQYSA-N 1 2 235.331 1.609 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000578419089 366563663 /nfs/dbraw/zinc/56/36/63/366563663.db2.gz PQXYGLDTBQIUAE-GDNZZTSVSA-N 1 2 248.330 1.060 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)CCc1[nH]cc[nH+]1 ZINC000291018957 169882393 /nfs/dbraw/zinc/88/23/93/169882393.db2.gz ACYITKNLXXGVLL-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CC[N@H+](C[C@H](C)OC)[C@H](C)c1csnn1 ZINC000451058211 202331450 /nfs/dbraw/zinc/33/14/50/202331450.db2.gz LKXDWZNJUIYWCY-DTWKUNHWSA-N 1 2 229.349 1.956 20 0 BDADLO CC[N@@H+](C[C@H](C)OC)[C@H](C)c1csnn1 ZINC000451058211 202331451 /nfs/dbraw/zinc/33/14/51/202331451.db2.gz LKXDWZNJUIYWCY-DTWKUNHWSA-N 1 2 229.349 1.956 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000612405374 359832376 /nfs/dbraw/zinc/83/23/76/359832376.db2.gz BCVVKVLOEFYDLW-JTQLQIEISA-N 1 2 245.326 1.504 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCCCO1 ZINC000613880077 363677488 /nfs/dbraw/zinc/67/74/88/363677488.db2.gz CZNCQKMJYHHHMP-SNVBAGLBSA-N 1 2 249.314 1.459 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCCCO1 ZINC000613880077 363677493 /nfs/dbraw/zinc/67/74/93/363677493.db2.gz CZNCQKMJYHHHMP-SNVBAGLBSA-N 1 2 249.314 1.459 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(CC3CC3)nn2)[C@H]1C ZINC000451071885 202345943 /nfs/dbraw/zinc/34/59/43/202345943.db2.gz MYFJNTLVJGQKAW-UWVGGRQHSA-N 1 2 220.320 1.528 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)[C@H]1C ZINC000451071885 202345949 /nfs/dbraw/zinc/34/59/49/202345949.db2.gz MYFJNTLVJGQKAW-UWVGGRQHSA-N 1 2 220.320 1.528 20 0 BDADLO C[N@H+](Cc1nc2ccccc2o1)C(C)(C)C(N)=O ZINC000451142168 202365397 /nfs/dbraw/zinc/36/53/97/202365397.db2.gz VQTWGDJYYBRJFF-UHFFFAOYSA-N 1 2 247.298 1.524 20 0 BDADLO C[N@@H+](Cc1nc2ccccc2o1)C(C)(C)C(N)=O ZINC000451142168 202365400 /nfs/dbraw/zinc/36/54/00/202365400.db2.gz VQTWGDJYYBRJFF-UHFFFAOYSA-N 1 2 247.298 1.524 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000451161694 202366597 /nfs/dbraw/zinc/36/65/97/202366597.db2.gz ZNNLWFQTCCABLM-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000451161694 202366600 /nfs/dbraw/zinc/36/66/00/202366600.db2.gz ZNNLWFQTCCABLM-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451120444 202355959 /nfs/dbraw/zinc/35/59/59/202355959.db2.gz KDNOAKHKHQVXPN-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451120444 202355960 /nfs/dbraw/zinc/35/59/60/202355960.db2.gz KDNOAKHKHQVXPN-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613915829 363685535 /nfs/dbraw/zinc/68/55/35/363685535.db2.gz NCGIVNGGAUAZCJ-LLVKDONJSA-N 1 2 247.342 1.987 20 0 BDADLO CC(C)=CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613915829 363685542 /nfs/dbraw/zinc/68/55/42/363685542.db2.gz NCGIVNGGAUAZCJ-LLVKDONJSA-N 1 2 247.342 1.987 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451120818 202358251 /nfs/dbraw/zinc/35/82/51/202358251.db2.gz LTNPRFVODPZPNR-WCQYABFASA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451120818 202358254 /nfs/dbraw/zinc/35/82/54/202358254.db2.gz LTNPRFVODPZPNR-WCQYABFASA-N 1 2 244.354 1.971 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCCO1 ZINC000613881453 363678524 /nfs/dbraw/zinc/67/85/24/363678524.db2.gz UIHQPKVRLHLWFG-GHMZBOCLSA-N 1 2 249.314 1.468 20 0 BDADLO CC(C)N(C(=O)C[N@@H+]1CC[C@H](F)C1)C(C)C ZINC000451192321 202375262 /nfs/dbraw/zinc/37/52/62/202375262.db2.gz SNGFZQTUVPBFRB-NSHDSACASA-N 1 2 230.327 1.676 20 0 BDADLO CC(C)N(C(=O)C[N@H+]1CC[C@H](F)C1)C(C)C ZINC000451192321 202375265 /nfs/dbraw/zinc/37/52/65/202375265.db2.gz SNGFZQTUVPBFRB-NSHDSACASA-N 1 2 230.327 1.676 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@H](F)C2)n1 ZINC000451199630 202379078 /nfs/dbraw/zinc/37/90/78/202379078.db2.gz RLCQIKAVNLGQEO-BDAKNGLRSA-N 1 2 225.267 1.595 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CC(C)(C)CO ZINC000451259416 202390561 /nfs/dbraw/zinc/39/05/61/202390561.db2.gz XTCVPPNDPLBNJN-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CC(C)(C)CO ZINC000451259416 202390565 /nfs/dbraw/zinc/39/05/65/202390565.db2.gz XTCVPPNDPLBNJN-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2[nH]ccc2c1 ZINC000088752410 359975109 /nfs/dbraw/zinc/97/51/09/359975109.db2.gz RRHGUGVBMHYRAD-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2[nH]ccc2c1 ZINC000088752410 359975113 /nfs/dbraw/zinc/97/51/13/359975113.db2.gz RRHGUGVBMHYRAD-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3C[C@@H]3C1)CC2 ZINC000628520519 360009799 /nfs/dbraw/zinc/00/97/99/360009799.db2.gz QZYRMJFENGXGFX-SDDRHHMPSA-N 1 2 245.326 1.232 20 0 BDADLO CNC(=O)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090165526 360060230 /nfs/dbraw/zinc/06/02/30/360060230.db2.gz LGCPPPORSUSIHX-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2n[nH]cc2c1 ZINC000090165629 360060386 /nfs/dbraw/zinc/06/03/86/360060386.db2.gz LPBFGFDGIZLTJH-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000578958594 366679813 /nfs/dbraw/zinc/67/98/13/366679813.db2.gz SZAZTGRWDVGRGP-RCWTZXSCSA-N 1 2 248.330 1.987 20 0 BDADLO Cc1nc(NCCCc2cccs2)nc(N)[nH+]1 ZINC000631188673 360142625 /nfs/dbraw/zinc/14/26/25/360142625.db2.gz JPBWWDLEDVJWGG-UHFFFAOYSA-N 1 2 249.343 1.121 20 0 BDADLO Cc1nc(N)nc(NCCCc2cccs2)[nH+]1 ZINC000631188673 360142627 /nfs/dbraw/zinc/14/26/27/360142627.db2.gz JPBWWDLEDVJWGG-UHFFFAOYSA-N 1 2 249.343 1.121 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042463 360147477 /nfs/dbraw/zinc/14/74/77/360147477.db2.gz BNBBACSWFHRLSZ-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042463 360147479 /nfs/dbraw/zinc/14/74/79/360147479.db2.gz BNBBACSWFHRLSZ-WCBMZHEXSA-N 1 2 242.344 1.033 20 0 BDADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000091617952 360121136 /nfs/dbraw/zinc/12/11/36/360121136.db2.gz GCSKQIVLJUXZJM-UHFFFAOYSA-N 1 2 224.308 1.251 20 0 BDADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000091617952 360121141 /nfs/dbraw/zinc/12/11/41/360121141.db2.gz GCSKQIVLJUXZJM-UHFFFAOYSA-N 1 2 224.308 1.251 20 0 BDADLO Cc1ccn2c(CN3CCOC[C@@H]3C)c[nH+]c2c1 ZINC000091810319 360131907 /nfs/dbraw/zinc/13/19/07/360131907.db2.gz CVXYYXMCNWRDMZ-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@H+]3CCOC[C@@H]3C)cnc2c1 ZINC000091810319 360131910 /nfs/dbraw/zinc/13/19/10/360131910.db2.gz CVXYYXMCNWRDMZ-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1ccn2c(C[N@@H+]3CCOC[C@@H]3C)cnc2c1 ZINC000091810319 360131912 /nfs/dbraw/zinc/13/19/12/360131912.db2.gz CVXYYXMCNWRDMZ-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000093508474 360252388 /nfs/dbraw/zinc/25/23/88/360252388.db2.gz ZTYOZPHMDHXHOI-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000093508474 360252394 /nfs/dbraw/zinc/25/23/94/360252394.db2.gz ZTYOZPHMDHXHOI-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCC3)n[nH]1 ZINC000093510742 360254775 /nfs/dbraw/zinc/25/47/75/360254775.db2.gz FNGOFXSENSFJBE-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCC3)n[nH]1 ZINC000093510742 360254780 /nfs/dbraw/zinc/25/47/80/360254780.db2.gz FNGOFXSENSFJBE-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO CSC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000131003554 370667463 /nfs/dbraw/zinc/66/74/63/370667463.db2.gz BAPCQNXCVHJWOG-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCNC(=O)CC2)o1 ZINC000093101731 360218347 /nfs/dbraw/zinc/21/83/47/360218347.db2.gz JJNSUYMCRSVBGN-PWSUYJOCSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCNC(=O)CC2)o1 ZINC000093101731 360218353 /nfs/dbraw/zinc/21/83/53/360218353.db2.gz JJNSUYMCRSVBGN-PWSUYJOCSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cscn2)C[C@@H]1O ZINC000093333908 360232274 /nfs/dbraw/zinc/23/22/74/360232274.db2.gz AXWZVOQXJJAXTR-WPRPVWTQSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1O ZINC000093333908 360232275 /nfs/dbraw/zinc/23/22/75/360232275.db2.gz AXWZVOQXJJAXTR-WPRPVWTQSA-N 1 2 212.318 1.346 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1ccnn1C ZINC000093584736 360257666 /nfs/dbraw/zinc/25/76/66/360257666.db2.gz PSAFEADWKRFKQC-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1ccnn1C ZINC000093584736 360257668 /nfs/dbraw/zinc/25/76/68/360257668.db2.gz PSAFEADWKRFKQC-UHFFFAOYSA-N 1 2 218.304 1.391 20 0 BDADLO COc1ncccc1C[NH2+][C@@H](C)c1nncn1C ZINC000095006998 360330365 /nfs/dbraw/zinc/33/03/65/360330365.db2.gz MEEDGFOVDTWIQP-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CC(C)(F)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000631188965 360337084 /nfs/dbraw/zinc/33/70/84/360337084.db2.gz NHSWMDJAKKEVGS-UHFFFAOYSA-N 1 2 226.299 1.841 20 0 BDADLO CCOCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000060403363 360460285 /nfs/dbraw/zinc/46/02/85/360460285.db2.gz YUOPDRWZHHPDFC-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO C[C@@H](CC(=O)N1CC2(C1)CCCO2)n1cc[nH+]c1 ZINC000628790774 360655611 /nfs/dbraw/zinc/65/56/11/360655611.db2.gz BHSSJKXJXLWRHE-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO CCC(F)(F)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000628838739 360691875 /nfs/dbraw/zinc/69/18/75/360691875.db2.gz ANPQDKYNRIOTPU-UHFFFAOYSA-N 1 2 234.290 1.490 20 0 BDADLO C[C@H](CC(=O)N(C1CC1)C1CC1)n1cc[nH+]c1 ZINC000628813399 360663926 /nfs/dbraw/zinc/66/39/26/360663926.db2.gz QOFOTFWGWSWFEG-SNVBAGLBSA-N 1 2 233.315 1.988 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920791 360754061 /nfs/dbraw/zinc/75/40/61/360754061.db2.gz HKBKBCLIARNWDV-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920791 360754063 /nfs/dbraw/zinc/75/40/63/360754063.db2.gz HKBKBCLIARNWDV-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC(=O)C1CCCC1 ZINC000628991120 360784858 /nfs/dbraw/zinc/78/48/58/360784858.db2.gz KBIHGSWCNXZENY-UHFFFAOYSA-N 1 2 249.314 1.218 20 0 BDADLO C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000629031044 360806890 /nfs/dbraw/zinc/80/68/90/360806890.db2.gz LMNDEXIBGOZCCL-FSIBCCDJSA-N 1 2 207.277 1.527 20 0 BDADLO CN(C)c1c[nH+]cc(NCC2(C)COC2)c1 ZINC000631202766 360884959 /nfs/dbraw/zinc/88/49/59/360884959.db2.gz CPUJVBLSXHEXGV-UHFFFAOYSA-N 1 2 221.304 1.596 20 0 BDADLO CC(C)(C)CNC(=O)COCc1[nH]cc[nH+]1 ZINC000629170051 360917130 /nfs/dbraw/zinc/91/71/30/360917130.db2.gz RLSYXRLMJOTAJK-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC23CCCC3)c1 ZINC000457849302 200818140 /nfs/dbraw/zinc/81/81/40/200818140.db2.gz FDXFYNBQDZGRDV-LBPRGKRZSA-N 1 2 247.342 1.659 20 0 BDADLO COCCOC1C[NH+](Cc2sccc2C)C1 ZINC000459472198 200838149 /nfs/dbraw/zinc/83/81/49/200838149.db2.gz VMECDSZOPPPXPZ-UHFFFAOYSA-N 1 2 241.356 1.904 20 0 BDADLO O=C(Nc1cccnc1)N1CCc2[nH]c[nH+]c2C1 ZINC000629472622 361085601 /nfs/dbraw/zinc/08/56/01/361085601.db2.gz GVTYXYZMBSMYTL-UHFFFAOYSA-N 1 2 243.270 1.395 20 0 BDADLO O=C(Nc1cccnc1)N1CCc2[nH+]c[nH]c2C1 ZINC000629472622 361085605 /nfs/dbraw/zinc/08/56/05/361085605.db2.gz GVTYXYZMBSMYTL-UHFFFAOYSA-N 1 2 243.270 1.395 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579000205 366691298 /nfs/dbraw/zinc/69/12/98/366691298.db2.gz BINQJFUWRPHKSZ-WDEREUQCSA-N 1 2 224.348 1.633 20 0 BDADLO CC1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC000066443250 361257086 /nfs/dbraw/zinc/25/70/86/361257086.db2.gz YZVZBEAOARQNHQ-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO c1cn(CCNc2ncnc3ccccc32)c[nH+]1 ZINC000041063980 361257422 /nfs/dbraw/zinc/25/74/22/361257422.db2.gz NWYLAWDXAIPEIP-UHFFFAOYSA-N 1 2 239.282 1.938 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1csc(C3CC3)n1)C2 ZINC000640481988 361267883 /nfs/dbraw/zinc/26/78/83/361267883.db2.gz OXDFCEZHANNRRX-CABZTGNLSA-N 1 2 236.340 1.587 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC000640481988 361267886 /nfs/dbraw/zinc/26/78/86/361267886.db2.gz OXDFCEZHANNRRX-CABZTGNLSA-N 1 2 236.340 1.587 20 0 BDADLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640482718 361268580 /nfs/dbraw/zinc/26/85/80/361268580.db2.gz SOTVNJZZPBOJFY-FZMZJTMJSA-N 1 2 249.358 1.811 20 0 BDADLO CCC(CC)n1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640482718 361268586 /nfs/dbraw/zinc/26/85/86/361268586.db2.gz SOTVNJZZPBOJFY-FZMZJTMJSA-N 1 2 249.358 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cc[nH]c1C ZINC000579129184 366720713 /nfs/dbraw/zinc/72/07/13/366720713.db2.gz IGDGNYKBAMRQFH-UHFFFAOYSA-N 1 2 232.287 1.470 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1cccc1 ZINC000579129955 366720897 /nfs/dbraw/zinc/72/08/97/366720897.db2.gz UUAHGGGWRHVHFK-LLVKDONJSA-N 1 2 246.314 1.206 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCn1cccc1 ZINC000579129955 366720902 /nfs/dbraw/zinc/72/09/02/366720902.db2.gz UUAHGGGWRHVHFK-LLVKDONJSA-N 1 2 246.314 1.206 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CCCCCO ZINC000579141100 366724410 /nfs/dbraw/zinc/72/44/10/366724410.db2.gz YJRWXGARJHIOPE-UHFFFAOYSA-N 1 2 223.320 1.692 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000428249400 201003793 /nfs/dbraw/zinc/00/37/93/201003793.db2.gz SSRSYCKBYZCADX-PWSUYJOCSA-N 1 2 248.330 1.009 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)cn1 ZINC000428249400 201003795 /nfs/dbraw/zinc/00/37/95/201003795.db2.gz SSRSYCKBYZCADX-PWSUYJOCSA-N 1 2 248.330 1.009 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ncc(C)o1 ZINC000579196518 366730924 /nfs/dbraw/zinc/73/09/24/366730924.db2.gz HOPBLTRDKSVJFF-GMTAPVOTSA-N 1 2 240.303 1.438 20 0 BDADLO Cc1nnc(C[N@@H+]2CCOCC3(CCC3)C2)[nH]1 ZINC000428432973 201015733 /nfs/dbraw/zinc/01/57/33/201015733.db2.gz AMHNUSFYBFHPKD-UHFFFAOYSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1nnc(C[N@H+]2CCOCC3(CCC3)C2)[nH]1 ZINC000428432973 201015736 /nfs/dbraw/zinc/01/57/36/201015736.db2.gz AMHNUSFYBFHPKD-UHFFFAOYSA-N 1 2 236.319 1.116 20 0 BDADLO CC1(CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000428331831 201009410 /nfs/dbraw/zinc/00/94/10/201009410.db2.gz QLSNUWPGTNJALY-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCc1cccnc1 ZINC000380174466 361342932 /nfs/dbraw/zinc/34/29/32/361342932.db2.gz MTCJQZNFIHZCQD-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCC[C@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275981 363767943 /nfs/dbraw/zinc/76/79/43/363767943.db2.gz QVGAVMDJYXQIEY-ZDUSSCGKSA-N 1 2 247.298 1.824 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H](O)C1CCC1 ZINC000614277869 363769024 /nfs/dbraw/zinc/76/90/24/363769024.db2.gz YCJQOASQLOXWTP-LBPRGKRZSA-N 1 2 245.282 1.434 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)ncn1 ZINC000428983819 201054338 /nfs/dbraw/zinc/05/43/38/201054338.db2.gz QQDIUILECZRTTB-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@](F)(CO)C2)ncn1 ZINC000428983819 201054340 /nfs/dbraw/zinc/05/43/40/201054340.db2.gz QQDIUILECZRTTB-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000428967092 201054828 /nfs/dbraw/zinc/05/48/28/201054828.db2.gz WWOBUSOAMQRLNL-GFCCVEGCSA-N 1 2 242.294 1.452 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000428967092 201054831 /nfs/dbraw/zinc/05/48/31/201054831.db2.gz WWOBUSOAMQRLNL-GFCCVEGCSA-N 1 2 242.294 1.452 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@H]1CCOC1 ZINC000428983091 201054840 /nfs/dbraw/zinc/05/48/40/201054840.db2.gz UUWJWAGIHIGBCZ-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@H]1CCOC1 ZINC000428983091 201054843 /nfs/dbraw/zinc/05/48/43/201054843.db2.gz UUWJWAGIHIGBCZ-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ncccc1F ZINC000614219986 363762460 /nfs/dbraw/zinc/76/24/60/363762460.db2.gz JCVAPBHYMYKXOV-SECBINFHSA-N 1 2 248.261 1.295 20 0 BDADLO C[C@@H](O)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579250114 366747126 /nfs/dbraw/zinc/74/71/26/366747126.db2.gz UTHKRAZGJWXMRW-GHMZBOCLSA-N 1 2 239.319 1.064 20 0 BDADLO CCOCC[N@H+](C)Cc1nncn1C(C)C ZINC000429273094 201088865 /nfs/dbraw/zinc/08/88/65/201088865.db2.gz LXCRKIJCCZKRQC-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CCOCC[N@@H+](C)Cc1nncn1C(C)C ZINC000429273094 201088866 /nfs/dbraw/zinc/08/88/66/201088866.db2.gz LXCRKIJCCZKRQC-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO Cc1nc(C2([NH2+]CCO)CCCCC2)no1 ZINC000381401857 361393829 /nfs/dbraw/zinc/39/38/29/361393829.db2.gz RGLDGLAOWVLCIV-UHFFFAOYSA-N 1 2 225.292 1.119 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2ccc(F)cc2)c1 ZINC000170184909 361397768 /nfs/dbraw/zinc/39/77/68/361397768.db2.gz LLRSKBKQRQGGEA-UHFFFAOYSA-N 1 2 247.273 1.532 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429315889 201098897 /nfs/dbraw/zinc/09/88/97/201098897.db2.gz HDPPIQXVEBITTP-WCBMZHEXSA-N 1 2 235.283 1.011 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCc3nn[nH]c3C2)s1 ZINC000429316993 201099242 /nfs/dbraw/zinc/09/92/42/201099242.db2.gz MZHKCWBGVOPRRA-UHFFFAOYSA-N 1 2 249.343 1.436 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCc3nn[nH]c3C2)s1 ZINC000429316993 201099245 /nfs/dbraw/zinc/09/92/45/201099245.db2.gz MZHKCWBGVOPRRA-UHFFFAOYSA-N 1 2 249.343 1.436 20 0 BDADLO Cc1ccc(O)c(NC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000579257088 366750122 /nfs/dbraw/zinc/75/01/22/366750122.db2.gz NYKBSIOQXKKNSY-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1noc(C)n1)[C@@H]1CCCO1 ZINC000429685120 201126092 /nfs/dbraw/zinc/12/60/92/201126092.db2.gz NWBRZBTZCJVOHU-LSJOCFKGSA-N 1 2 239.319 1.986 20 0 BDADLO C[C@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000579457152 366810500 /nfs/dbraw/zinc/81/05/00/366810500.db2.gz IAXCWMHTAZTIFI-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cocn2)o1 ZINC000309912915 491158110 /nfs/dbraw/zinc/15/81/10/491158110.db2.gz NUJDVLCNMFQYRN-UHFFFAOYSA-N 1 2 222.244 1.704 20 0 BDADLO COCC[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433767842 201191976 /nfs/dbraw/zinc/19/19/76/201191976.db2.gz WMDJZQABAGGQTQ-MRVPVSSYSA-N 1 2 234.303 1.525 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)Cc2ccon2)[nH+]1 ZINC000433799447 201193423 /nfs/dbraw/zinc/19/34/23/201193423.db2.gz AGVOVVAYUVPJQY-UHFFFAOYSA-N 1 2 243.270 1.891 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCOC2)[nH+]1 ZINC000433789499 201194212 /nfs/dbraw/zinc/19/42/12/201194212.db2.gz MVVOKTUBGUNQFP-VIFPVBQESA-N 1 2 232.287 1.137 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)C1CC1 ZINC000434541851 201227048 /nfs/dbraw/zinc/22/70/48/201227048.db2.gz XVTXMUJHFJMTHK-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)C1CC1 ZINC000434541851 201227051 /nfs/dbraw/zinc/22/70/51/201227051.db2.gz XVTXMUJHFJMTHK-UHFFFAOYSA-N 1 2 208.309 1.843 20 0 BDADLO Cc1nc(N[C@H]2CCCn3nccc32)cc[nH+]1 ZINC000631595339 361587468 /nfs/dbraw/zinc/58/74/68/361587468.db2.gz ZGNMVAOOJKQFHJ-JTQLQIEISA-N 1 2 229.287 1.929 20 0 BDADLO Cc1nc(N[C@@H]2CCCn3nccc32)cc[nH+]1 ZINC000631595340 361588543 /nfs/dbraw/zinc/58/85/43/361588543.db2.gz ZGNMVAOOJKQFHJ-SNVBAGLBSA-N 1 2 229.287 1.929 20 0 BDADLO C[C@H]1C[N@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000306640405 361589496 /nfs/dbraw/zinc/58/94/96/361589496.db2.gz PLSLYGQAQIRZCK-XPUUQOCRSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000306640405 361589502 /nfs/dbraw/zinc/58/95/02/361589502.db2.gz PLSLYGQAQIRZCK-XPUUQOCRSA-N 1 2 232.736 1.609 20 0 BDADLO COC(=O)C[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000434957789 201245806 /nfs/dbraw/zinc/24/58/06/201245806.db2.gz ILZPIQHSYJIVNX-JTQLQIEISA-N 1 2 235.287 1.317 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000448554039 201251935 /nfs/dbraw/zinc/25/19/35/201251935.db2.gz GPUHAZBCBUCHHS-JTQLQIEISA-N 1 2 237.351 1.468 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000448554039 201251939 /nfs/dbraw/zinc/25/19/39/201251939.db2.gz GPUHAZBCBUCHHS-JTQLQIEISA-N 1 2 237.351 1.468 20 0 BDADLO Cc1nn(C)cc1-c1ccc(N[C@@H](C)CO)[nH+]c1 ZINC000629721631 361664953 /nfs/dbraw/zinc/66/49/53/361664953.db2.gz CZHIJJIATQLUGI-VIFPVBQESA-N 1 2 246.314 1.583 20 0 BDADLO C[C@@H](CO)Nc1ccc(-c2cncnc2)c[nH+]1 ZINC000629714138 361655722 /nfs/dbraw/zinc/65/57/22/361655722.db2.gz XIEWICUYKVZEGQ-VIFPVBQESA-N 1 2 230.271 1.331 20 0 BDADLO CNc1ccc(-c2cnn(CCOC)c2)c[nH+]1 ZINC000629752009 361683869 /nfs/dbraw/zinc/68/38/69/361683869.db2.gz RBGYWKWZXVMMLM-UHFFFAOYSA-N 1 2 232.287 1.055 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC=C(F)C1 ZINC000613232363 361690469 /nfs/dbraw/zinc/69/04/69/361690469.db2.gz GLEAMHVFEXWYIV-GHMZBOCLSA-N 1 2 249.289 1.609 20 0 BDADLO CC[C@@H](O)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000448576819 201334713 /nfs/dbraw/zinc/33/47/13/201334713.db2.gz FFKQOCFMXXOIPK-LLVKDONJSA-N 1 2 247.298 1.112 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(O)c1 ZINC000436829229 201338396 /nfs/dbraw/zinc/33/83/96/201338396.db2.gz ARULDHCURQNGEE-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(O)c1 ZINC000436829229 201338399 /nfs/dbraw/zinc/33/83/99/201338399.db2.gz ARULDHCURQNGEE-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CC1=C(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000437187919 201346344 /nfs/dbraw/zinc/34/63/44/201346344.db2.gz YDAITOSMRRWIPI-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO FCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000437248925 201347370 /nfs/dbraw/zinc/34/73/70/201347370.db2.gz SPJQCINTSHCGRF-UHFFFAOYSA-N 1 2 233.290 1.991 20 0 BDADLO C[C@H](CC(=O)N1COCC1(C)C)n1cc[nH+]c1 ZINC000614427926 363813304 /nfs/dbraw/zinc/81/33/04/363813304.db2.gz VUBDVTVLOJRXME-SNVBAGLBSA-N 1 2 237.303 1.429 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)C ZINC000622081820 370698254 /nfs/dbraw/zinc/69/82/54/370698254.db2.gz DBBSGJRFCLFPOQ-VIFPVBQESA-N 1 2 209.293 1.736 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccn[nH]1 ZINC000622082074 370698345 /nfs/dbraw/zinc/69/83/45/370698345.db2.gz GVKOKYQQSDXCLZ-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO CC[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000618952880 363914037 /nfs/dbraw/zinc/91/40/37/363914037.db2.gz BEVCNPNEBAPMPR-AAEUAGOBSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000618952880 363914040 /nfs/dbraw/zinc/91/40/40/363914040.db2.gz BEVCNPNEBAPMPR-AAEUAGOBSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630427571 364156792 /nfs/dbraw/zinc/15/67/92/364156792.db2.gz GVEAKFQWJVIWGO-UHFFFAOYSA-N 1 2 243.310 1.941 20 0 BDADLO CN(C)C(=O)c1cc(-c2[nH+]ccn2C)ccn1 ZINC000630497925 364184839 /nfs/dbraw/zinc/18/48/39/364184839.db2.gz TZKYQIAYQNFSNG-UHFFFAOYSA-N 1 2 230.271 1.184 20 0 BDADLO O=S1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000614962841 364235979 /nfs/dbraw/zinc/23/59/79/364235979.db2.gz JXFYWLGDLBYVTO-CYBMUJFWSA-N 1 2 235.352 1.738 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093055467 541347216 /nfs/dbraw/zinc/34/72/16/541347216.db2.gz MUKFNEKSZRNCIS-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1ncccc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093055467 541347219 /nfs/dbraw/zinc/34/72/19/541347219.db2.gz MUKFNEKSZRNCIS-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(C2CC2)C1 ZINC000615103488 364491699 /nfs/dbraw/zinc/49/16/99/364491699.db2.gz JLUCVQHMIBQIBU-VXGBXAGGSA-N 1 2 245.326 1.392 20 0 BDADLO Cc1cc(C)c(C(=O)NCCn2cc[nH+]c2)s1 ZINC000630734698 364524472 /nfs/dbraw/zinc/52/44/72/364524472.db2.gz HAMQPDBAGKENLT-UHFFFAOYSA-N 1 2 249.339 1.991 20 0 BDADLO C[C@@H](NC(=O)Cc1cscn1)c1[nH]cc[nH+]1 ZINC000615158045 364547078 /nfs/dbraw/zinc/54/70/78/364547078.db2.gz IOMMBVKDAGVRHJ-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO Cc1ccc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000615160426 364553864 /nfs/dbraw/zinc/55/38/64/364553864.db2.gz HPXJYBNZNVRMFV-SECBINFHSA-N 1 2 233.271 1.731 20 0 BDADLO Cc1c[nH+]c(CNCC(F)(F)F)n1C ZINC000308749807 541367480 /nfs/dbraw/zinc/36/74/80/541367480.db2.gz TWRCLAZIJAYAOZ-UHFFFAOYSA-N 1 2 207.199 1.380 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000246723128 364607757 /nfs/dbraw/zinc/60/77/57/364607757.db2.gz VNUMLHVWAGFYMG-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000246723128 364607759 /nfs/dbraw/zinc/60/77/59/364607759.db2.gz VNUMLHVWAGFYMG-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615213192 364634658 /nfs/dbraw/zinc/63/46/58/364634658.db2.gz YYMOLJYLIQGXKM-GMTAPVOTSA-N 1 2 233.315 1.535 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCOC(F)F ZINC000573338549 364804819 /nfs/dbraw/zinc/80/48/19/364804819.db2.gz QLRRWVBYUJTKHT-UHFFFAOYSA-N 1 2 231.246 1.557 20 0 BDADLO CCc1occc1C(=O)NCCc1c[nH+]cn1C ZINC000573664427 364886691 /nfs/dbraw/zinc/88/66/91/364886691.db2.gz LSQVNRFNIBJMEB-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO C[C@@]12C[N@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333755497 541409351 /nfs/dbraw/zinc/40/93/51/541409351.db2.gz YMGRDZTVLDJLJO-QYTUQVAYSA-N 1 2 248.330 1.378 20 0 BDADLO C[C@@]12C[N@@H+](Cc3n[nH]c(=O)[nH]3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333755497 541409356 /nfs/dbraw/zinc/40/93/56/541409356.db2.gz YMGRDZTVLDJLJO-QYTUQVAYSA-N 1 2 248.330 1.378 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000336015520 541424524 /nfs/dbraw/zinc/42/45/24/541424524.db2.gz XQVIUMNREMEPLH-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO CC[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000574098054 364987306 /nfs/dbraw/zinc/98/73/06/364987306.db2.gz IEMZXBFROFCDIQ-NSHDSACASA-N 1 2 247.298 1.143 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000574126871 364991640 /nfs/dbraw/zinc/99/16/40/364991640.db2.gz BRFVYOCSPWQOCW-WDEREUQCSA-N 1 2 234.303 1.018 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2c[nH+]cn2C1 ZINC000574159956 364999809 /nfs/dbraw/zinc/99/98/09/364999809.db2.gz WOGBMEQGBGVZAV-FTYKPCCVSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CC[C@H](F)C1)n1cc[nH+]c1 ZINC000574210478 365011102 /nfs/dbraw/zinc/01/11/02/365011102.db2.gz VSJJIADRETYVEJ-OUAUKWLOSA-N 1 2 239.294 1.841 20 0 BDADLO CC1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000622238205 370784769 /nfs/dbraw/zinc/78/47/69/370784769.db2.gz GGKPAFZNWDMFGA-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCCOC1 ZINC000574345357 365042589 /nfs/dbraw/zinc/04/25/89/365042589.db2.gz ZRHANRUOOAWFGT-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCCOC1 ZINC000574345357 365042592 /nfs/dbraw/zinc/04/25/92/365042592.db2.gz ZRHANRUOOAWFGT-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H](CC(=O)N1CCC(=O)[C@@H](C)C1)n1cc[nH+]c1 ZINC000574405477 365055399 /nfs/dbraw/zinc/05/53/99/365055399.db2.gz DRWUXOSHHPRYAX-QWRGUYRKSA-N 1 2 249.314 1.272 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@H](C)COC ZINC000574292683 365032636 /nfs/dbraw/zinc/03/26/36/365032636.db2.gz QYUVRUIDRFCRNU-JTQLQIEISA-N 1 2 239.319 1.192 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000574652932 365115074 /nfs/dbraw/zinc/11/50/74/365115074.db2.gz OXNPCUCWZNPIMJ-JQWIXIFHSA-N 1 2 235.331 1.751 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000574652932 365115081 /nfs/dbraw/zinc/11/50/81/365115081.db2.gz OXNPCUCWZNPIMJ-JQWIXIFHSA-N 1 2 235.331 1.751 20 0 BDADLO FC(F)COCC[NH+]1CC(C(F)(F)F)C1 ZINC000574485014 365074257 /nfs/dbraw/zinc/07/42/57/365074257.db2.gz CEEHURGCKREZEL-UHFFFAOYSA-N 1 2 233.180 1.762 20 0 BDADLO COCc1cnc(C[N@H+](C)CCCO)s1 ZINC000442967533 193008417 /nfs/dbraw/zinc/00/84/17/193008417.db2.gz UQZXISGEXDOHFX-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO COCc1cnc(C[N@@H+](C)CCCO)s1 ZINC000442967533 193008418 /nfs/dbraw/zinc/00/84/18/193008418.db2.gz UQZXISGEXDOHFX-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1csnn1 ZINC000443783003 193029475 /nfs/dbraw/zinc/02/94/75/193029475.db2.gz CMAHRBGONKXGQP-KKZNHRDASA-N 1 2 241.360 1.519 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1csnn1 ZINC000443783003 193029477 /nfs/dbraw/zinc/02/94/77/193029477.db2.gz CMAHRBGONKXGQP-KKZNHRDASA-N 1 2 241.360 1.519 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152534310 541454231 /nfs/dbraw/zinc/45/42/31/541454231.db2.gz UMBJUOWYKAMPGI-TUAOUCFPSA-N 1 2 245.326 1.433 20 0 BDADLO Cc1cnc(NC(=O)c2ccc3[nH+]ccn3c2)o1 ZINC000443937826 193031358 /nfs/dbraw/zinc/03/13/58/193031358.db2.gz SVCYVXXZUCRGLS-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CC[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000554551041 325726554 /nfs/dbraw/zinc/72/65/54/325726554.db2.gz PTSGCCFQJOQEDJ-JTQLQIEISA-N 1 2 221.304 1.364 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1[C@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000575071962 365189563 /nfs/dbraw/zinc/18/95/63/365189563.db2.gz MTLHYTUZPMUHLL-XVMARJQXSA-N 1 2 229.230 1.488 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000622274761 370815073 /nfs/dbraw/zinc/81/50/73/370815073.db2.gz ZCYCUKHZERHLGI-QMMMGPOBSA-N 1 2 229.230 1.045 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000444472261 193048470 /nfs/dbraw/zinc/04/84/70/193048470.db2.gz BWELOGFVZIVAHE-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000575176170 365229915 /nfs/dbraw/zinc/22/99/15/365229915.db2.gz SZACYTCSJMRJLD-LBPRGKRZSA-N 1 2 218.300 1.966 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000575176170 365229922 /nfs/dbraw/zinc/22/99/22/365229922.db2.gz SZACYTCSJMRJLD-LBPRGKRZSA-N 1 2 218.300 1.966 20 0 BDADLO C[C@H]1OCC[N@H+](CCOCC(F)(F)F)[C@H]1C ZINC000156537829 201445345 /nfs/dbraw/zinc/44/53/45/201445345.db2.gz YXWSFKKLBNJADR-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@H]1OCC[N@@H+](CCOCC(F)(F)F)[C@H]1C ZINC000156537829 201445348 /nfs/dbraw/zinc/44/53/48/201445348.db2.gz YXWSFKKLBNJADR-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000172191343 365299629 /nfs/dbraw/zinc/29/96/29/365299629.db2.gz CUGLAVXDVJKDQO-ZETCQYMHSA-N 1 2 221.247 1.525 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000172191343 365299634 /nfs/dbraw/zinc/29/96/34/365299634.db2.gz CUGLAVXDVJKDQO-ZETCQYMHSA-N 1 2 221.247 1.525 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182246521 366877834 /nfs/dbraw/zinc/87/78/34/366877834.db2.gz AVFRWMPNPYJARJ-SDDRHHMPSA-N 1 2 243.347 1.875 20 0 BDADLO c1nc(NC2CC2)cc(NCC[C@H]2CCOC2)[nH+]1 ZINC000575893465 365406525 /nfs/dbraw/zinc/40/65/25/365406525.db2.gz DCPHSMRZDQXQSP-JTQLQIEISA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC[C@H]2CCOC2)cc(NC2CC2)[nH+]1 ZINC000575893465 365406529 /nfs/dbraw/zinc/40/65/29/365406529.db2.gz DCPHSMRZDQXQSP-JTQLQIEISA-N 1 2 248.330 1.889 20 0 BDADLO CC[C@@]1([NH2+]Cc2cn[nH]c2C)CCOC1 ZINC000380172536 541460284 /nfs/dbraw/zinc/46/02/84/541460284.db2.gz IGTNMQHERURMPG-LLVKDONJSA-N 1 2 209.293 1.377 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000576030064 365455092 /nfs/dbraw/zinc/45/50/92/365455092.db2.gz LWEKGEZREXASCH-RYUDHWBXSA-N 1 2 233.315 1.436 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ncc[nH]1 ZINC000353643896 541484603 /nfs/dbraw/zinc/48/46/03/541484603.db2.gz LFPSYHHMVKJYQS-JOYOIKCWSA-N 1 2 249.289 1.933 20 0 BDADLO Cn1c[nH+]c(CN(CC(F)F)C2CC2)c1 ZINC000170616848 541499851 /nfs/dbraw/zinc/49/98/51/541499851.db2.gz WECLWRLPPQRMJC-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1cn[nH]c1 ZINC000579675691 366961393 /nfs/dbraw/zinc/96/13/93/366961393.db2.gz JYXPAVVTDPYXJX-UHFFFAOYSA-N 1 2 231.259 1.195 20 0 BDADLO Cn1cc(C[NH+]2CCOCC2)c(C(C)(C)C)n1 ZINC000183370248 367018510 /nfs/dbraw/zinc/01/85/10/367018510.db2.gz FTLXYHCCPOVBMD-UHFFFAOYSA-N 1 2 237.347 1.550 20 0 BDADLO CC(=O)CCCC(=O)NCCCn1cc[nH+]c1 ZINC000184582662 367083546 /nfs/dbraw/zinc/08/35/46/367083546.db2.gz MSLMCKQDGOSTIV-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CC(C)(C(=O)N[C@H]1CCC[C@H]1F)c1c[nH]c[nH+]1 ZINC000580973631 367222888 /nfs/dbraw/zinc/22/28/88/367222888.db2.gz OMBMAUCZEPCQFB-BDAKNGLRSA-N 1 2 239.294 1.694 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000580928277 367206927 /nfs/dbraw/zinc/20/69/27/367206927.db2.gz UDFCNOZBTMMDDF-JZYVYDRUSA-N 1 2 234.303 1.018 20 0 BDADLO C[C@@H](F)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000581015556 367237066 /nfs/dbraw/zinc/23/70/66/367237066.db2.gz YHRMIBPNUUJHRT-NXEZZACHSA-N 1 2 227.283 1.699 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC(C)(C)CCCO ZINC000581262383 367313919 /nfs/dbraw/zinc/31/39/19/367313919.db2.gz WSQIFLOOZCYZLP-UHFFFAOYSA-N 1 2 237.347 1.726 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccccc1F ZINC000194989307 367327642 /nfs/dbraw/zinc/32/76/42/367327642.db2.gz XIJZJXIUCDKANJ-UHFFFAOYSA-N 1 2 210.252 1.133 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccccc1F ZINC000194989307 367327646 /nfs/dbraw/zinc/32/76/46/367327646.db2.gz XIJZJXIUCDKANJ-UHFFFAOYSA-N 1 2 210.252 1.133 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nncn1C ZINC000195513968 367366251 /nfs/dbraw/zinc/36/62/51/367366251.db2.gz KFCLLPAVLNBJAI-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nncn1C ZINC000195513968 367366257 /nfs/dbraw/zinc/36/62/57/367366257.db2.gz KFCLLPAVLNBJAI-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO COc1ccc(C[NH2+]CC(C)(F)F)cn1 ZINC000382041093 367481447 /nfs/dbraw/zinc/48/14/47/367481447.db2.gz XNLSQIDSHSUBTR-UHFFFAOYSA-N 1 2 216.231 1.835 20 0 BDADLO CCOC1C[NH+](C[C@](C)(O)C(F)(F)F)C1 ZINC000383145807 367600858 /nfs/dbraw/zinc/60/08/58/367600858.db2.gz ADOIDUANMJCWKM-QMMMGPOBSA-N 1 2 227.226 1.020 20 0 BDADLO COc1cc(C[NH2+]Cc2ncc[nH]2)sn1 ZINC000399121931 367596166 /nfs/dbraw/zinc/59/61/66/367596166.db2.gz LFFZWAZHFOBYRV-UHFFFAOYSA-N 1 2 224.289 1.165 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000383274688 367611297 /nfs/dbraw/zinc/61/12/97/367611297.db2.gz HSDAMAJNEVRIPQ-KCJUWKMLSA-N 1 2 231.303 1.710 20 0 BDADLO CCC(C)(C)OCC(=O)NCc1[nH+]ccn1C ZINC000622353609 370863535 /nfs/dbraw/zinc/86/35/35/370863535.db2.gz VLFNQMOSPFJGOC-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO Cc1nnsc1C[NH2+][C@H](C)c1nccnc1C ZINC000384152035 367672674 /nfs/dbraw/zinc/67/26/74/367672674.db2.gz HGFLVESLLUNPLQ-SECBINFHSA-N 1 2 249.343 1.796 20 0 BDADLO CCC(C)(C)OCC(=O)NCCc1[nH]cc[nH+]1 ZINC000622364520 370869850 /nfs/dbraw/zinc/86/98/50/370869850.db2.gz YOWAYCCBDLVJDJ-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COCC(C)(C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000622366506 370870937 /nfs/dbraw/zinc/87/09/37/370870937.db2.gz FSEDPBZVZKQXKG-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO CC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC000384964206 367766100 /nfs/dbraw/zinc/76/61/00/367766100.db2.gz XCLBHZCFKSMHLY-PLNGDYQASA-N 1 2 217.276 1.741 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000385681334 367855099 /nfs/dbraw/zinc/85/50/99/367855099.db2.gz OANIEROTJWPROT-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000385681334 367855102 /nfs/dbraw/zinc/85/51/02/367855102.db2.gz OANIEROTJWPROT-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000385724327 367858967 /nfs/dbraw/zinc/85/89/67/367858967.db2.gz SPPHNTWVWCMPQX-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000385724327 367858974 /nfs/dbraw/zinc/85/89/74/367858974.db2.gz SPPHNTWVWCMPQX-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@H]1[C@H](CO)CCN1c1cc[nH+]c(C)n1 ZINC000385866307 367871029 /nfs/dbraw/zinc/87/10/29/367871029.db2.gz IKEFHYDGDPTYNT-QWRGUYRKSA-N 1 2 221.304 1.382 20 0 BDADLO CC[C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000022520343 367983437 /nfs/dbraw/zinc/98/34/37/367983437.db2.gz VZROZRNPILEZNP-SNVBAGLBSA-N 1 2 231.299 1.997 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CC12CCOCC2)C(=O)OC ZINC000387007524 368041870 /nfs/dbraw/zinc/04/18/70/368041870.db2.gz MZGNECAKIHLBLO-ZJUUUORDSA-N 1 2 227.304 1.097 20 0 BDADLO CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024754269 368007344 /nfs/dbraw/zinc/00/73/44/368007344.db2.gz WCJXKQGGYSAHPZ-UHFFFAOYSA-N 1 2 229.283 1.568 20 0 BDADLO CC[C@H](Nc1nc[nH+]c(N)c1Cl)[C@@H](C)O ZINC000386721649 368012927 /nfs/dbraw/zinc/01/29/27/368012927.db2.gz SEBLTJHAIYIIAI-RITPCOANSA-N 1 2 230.699 1.284 20 0 BDADLO CC[C@H](Nc1[nH+]cnc(N)c1Cl)[C@@H](C)O ZINC000386721649 368012930 /nfs/dbraw/zinc/01/29/30/368012930.db2.gz SEBLTJHAIYIIAI-RITPCOANSA-N 1 2 230.699 1.284 20 0 BDADLO CC(=O)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000615577996 368111971 /nfs/dbraw/zinc/11/19/71/368111971.db2.gz CWUISTULJGXPNF-LBPRGKRZSA-N 1 2 249.314 1.243 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)[nH+]c2)n(C)n1 ZINC000387222312 368115936 /nfs/dbraw/zinc/11/59/36/368115936.db2.gz SSVNJRSUXWEOTD-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2ccn(C)n2)c1 ZINC000630956316 368149857 /nfs/dbraw/zinc/14/98/57/368149857.db2.gz BLNFIHXKJNIIFI-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](F)C1 ZINC000615747170 368235433 /nfs/dbraw/zinc/23/54/33/368235433.db2.gz LILAUBLSHPCVHQ-NXEZZACHSA-N 1 2 237.278 1.016 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000615696658 368209512 /nfs/dbraw/zinc/20/95/12/368209512.db2.gz MNGADKLPXZQELI-SCZZXKLOSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000615696658 368209514 /nfs/dbraw/zinc/20/95/14/368209514.db2.gz MNGADKLPXZQELI-SCZZXKLOSA-N 1 2 233.315 1.429 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CCCF ZINC000615710066 368217686 /nfs/dbraw/zinc/21/76/86/368217686.db2.gz LKVIQTFWPNDSCA-UHFFFAOYSA-N 1 2 213.256 1.269 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569780 368314147 /nfs/dbraw/zinc/31/41/47/368314147.db2.gz MWALAKGUMKSJSJ-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569780 368314151 /nfs/dbraw/zinc/31/41/51/368314151.db2.gz MWALAKGUMKSJSJ-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC(C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566564899 326064872 /nfs/dbraw/zinc/06/48/72/326064872.db2.gz ZCPVBOGFRNATRG-SNVBAGLBSA-N 1 2 209.293 1.606 20 0 BDADLO CCOCC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000058563317 368514772 /nfs/dbraw/zinc/51/47/72/368514772.db2.gz FCDHKDVTUAEQRB-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO CSCCC(=O)NCCCCn1cc[nH+]c1 ZINC000060408209 368541730 /nfs/dbraw/zinc/54/17/30/368541730.db2.gz VRNRTLGKCOCTKB-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(OCC)s1 ZINC000063499711 368587126 /nfs/dbraw/zinc/58/71/26/368587126.db2.gz ITFNTHWYQPXSST-UHFFFAOYSA-N 1 2 245.348 1.141 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(OCC)s1 ZINC000063499711 368587135 /nfs/dbraw/zinc/58/71/35/368587135.db2.gz ITFNTHWYQPXSST-UHFFFAOYSA-N 1 2 245.348 1.141 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccnc1 ZINC000456334972 202936403 /nfs/dbraw/zinc/93/64/03/202936403.db2.gz ABYVTBQUVZMZSN-SNVBAGLBSA-N 1 2 244.298 1.789 20 0 BDADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC1 ZINC000068012133 368709222 /nfs/dbraw/zinc/70/92/22/368709222.db2.gz YLLJBFXYBDPRBT-UHFFFAOYSA-N 1 2 241.294 1.777 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCn1nc(C)cc1C ZINC000068812638 368738323 /nfs/dbraw/zinc/73/83/23/368738323.db2.gz UWWUOQUOELULPN-UHFFFAOYSA-N 1 2 239.319 1.041 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000622418716 370910192 /nfs/dbraw/zinc/91/01/92/370910192.db2.gz PUKYIMCKEZPJGG-NSHDSACASA-N 1 2 245.326 1.916 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000622418716 370910197 /nfs/dbraw/zinc/91/01/97/370910197.db2.gz PUKYIMCKEZPJGG-NSHDSACASA-N 1 2 245.326 1.916 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C2CC2)CC1 ZINC000622439452 370920137 /nfs/dbraw/zinc/92/01/37/370920137.db2.gz HEZBVWINSWYBOG-UHFFFAOYSA-N 1 2 219.288 1.021 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC000259816523 370945669 /nfs/dbraw/zinc/94/56/69/370945669.db2.gz WJALDMFJNLSOJA-GFCCVEGCSA-N 1 2 243.347 1.423 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)C1CCCCC1 ZINC000259816523 370945671 /nfs/dbraw/zinc/94/56/71/370945671.db2.gz WJALDMFJNLSOJA-GFCCVEGCSA-N 1 2 243.347 1.423 20 0 BDADLO CC1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000072622018 368775412 /nfs/dbraw/zinc/77/54/12/368775412.db2.gz PGDIYTKGHHGBPY-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC000073949918 368823060 /nfs/dbraw/zinc/82/30/60/368823060.db2.gz YOLRUAMEZHKTOE-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H](C)S1 ZINC000074095389 368829696 /nfs/dbraw/zinc/82/96/96/368829696.db2.gz CXMSKTNPUCXDTA-NXEZZACHSA-N 1 2 239.344 1.236 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccno1 ZINC000072978874 368788742 /nfs/dbraw/zinc/78/87/42/368788742.db2.gz OUBOJLLDCFXQMS-NSHDSACASA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccno1 ZINC000072978874 368788748 /nfs/dbraw/zinc/78/87/48/368788748.db2.gz OUBOJLLDCFXQMS-NSHDSACASA-N 1 2 224.304 1.922 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000615963946 368799333 /nfs/dbraw/zinc/79/93/33/368799333.db2.gz UHLLVMNDNIDEQH-XFWSIPNHSA-N 1 2 219.288 1.661 20 0 BDADLO CCCn1ccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000085605882 368867065 /nfs/dbraw/zinc/86/70/65/368867065.db2.gz LPPMKOUOCUWFPT-UHFFFAOYSA-N 1 2 218.304 1.911 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccn(CC)c1 ZINC000616136013 368976966 /nfs/dbraw/zinc/97/69/66/368976966.db2.gz PRFLMZLWFLTFMH-LLVKDONJSA-N 1 2 238.331 1.891 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccn(CC)c1 ZINC000616136013 368976968 /nfs/dbraw/zinc/97/69/68/368976968.db2.gz PRFLMZLWFLTFMH-LLVKDONJSA-N 1 2 238.331 1.891 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CSC1 ZINC000616070036 368935145 /nfs/dbraw/zinc/93/51/45/368935145.db2.gz HBMRLDFGTTUFQK-QMMMGPOBSA-N 1 2 239.344 1.068 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CSC1 ZINC000616070036 368935146 /nfs/dbraw/zinc/93/51/46/368935146.db2.gz HBMRLDFGTTUFQK-QMMMGPOBSA-N 1 2 239.344 1.068 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457860611 203113748 /nfs/dbraw/zinc/11/37/48/203113748.db2.gz OTOKHSZEDOJKDR-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618510572 369163210 /nfs/dbraw/zinc/16/32/10/369163210.db2.gz RFSSBSVGTVTJSI-AGIUHOORSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@@]1(NC(=O)CCc2[nH]cc[nH+]2)CCCOC1 ZINC000622482596 370950529 /nfs/dbraw/zinc/95/05/29/370950529.db2.gz DLUUPOXPJCZPTO-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO CC[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000618863630 369228801 /nfs/dbraw/zinc/22/88/01/369228801.db2.gz CMOZBLNKAMRAKN-GFCCVEGCSA-N 1 2 235.331 1.968 20 0 BDADLO COCCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619012923 369257464 /nfs/dbraw/zinc/25/74/64/369257464.db2.gz JCXMLKMOIDKSAV-UHFFFAOYSA-N 1 2 233.271 1.618 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccoc1 ZINC000459293922 203247355 /nfs/dbraw/zinc/24/73/55/203247355.db2.gz DZOUNGIEMZOFSL-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccoc1 ZINC000459293922 203247357 /nfs/dbraw/zinc/24/73/57/203247357.db2.gz DZOUNGIEMZOFSL-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CC[C@@H]1C[N@H+](CCn2cc(Cl)cn2)CCO1 ZINC000459310017 203252162 /nfs/dbraw/zinc/25/21/62/203252162.db2.gz LWWCKCRPCWIPDC-LLVKDONJSA-N 1 2 243.738 1.647 20 0 BDADLO CC[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)CCO1 ZINC000459310017 203252165 /nfs/dbraw/zinc/25/21/65/203252165.db2.gz LWWCKCRPCWIPDC-LLVKDONJSA-N 1 2 243.738 1.647 20 0 BDADLO CCn1nncc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000459409506 203275989 /nfs/dbraw/zinc/27/59/89/203275989.db2.gz BNCUTEAYAUMEGH-JTQLQIEISA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000459409506 203275993 /nfs/dbraw/zinc/27/59/93/203275993.db2.gz BNCUTEAYAUMEGH-JTQLQIEISA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@@H+]1CCOCC12CCC2 ZINC000459357871 203268182 /nfs/dbraw/zinc/26/81/82/203268182.db2.gz AONGEIHKHDTERU-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1nncc1C[N@H+]1CCOCC12CCC2 ZINC000459357871 203268185 /nfs/dbraw/zinc/26/81/85/203268185.db2.gz AONGEIHKHDTERU-UHFFFAOYSA-N 1 2 236.319 1.053 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C(C)(C)C2(F)F)c[nH+]1 ZINC000619394940 369334003 /nfs/dbraw/zinc/33/40/03/369334003.db2.gz YMUPAAZQKVKTDG-MRVPVSSYSA-N 1 2 243.257 1.739 20 0 BDADLO CCc1ccc(C[NH+]2CC(OC)C2)cn1 ZINC000459584711 203307355 /nfs/dbraw/zinc/30/73/55/203307355.db2.gz QWVDYJWIYZBRTO-UHFFFAOYSA-N 1 2 206.289 1.475 20 0 BDADLO COc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000459582350 203307846 /nfs/dbraw/zinc/30/78/46/203307846.db2.gz NHJZEDNMXUGCTO-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(C)(OC)C2)c1C ZINC000459589886 203309894 /nfs/dbraw/zinc/30/98/94/203309894.db2.gz RQZAGRZVWQUWNB-UHFFFAOYSA-N 1 2 237.347 1.741 20 0 BDADLO COC1C[NH+](Cc2ccccc2NC(C)=O)C1 ZINC000459589074 203309914 /nfs/dbraw/zinc/30/99/14/203309914.db2.gz XGUFDIOFUNXMAB-UHFFFAOYSA-N 1 2 234.299 1.476 20 0 BDADLO CC[C@@H](C)C[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459563058 203300973 /nfs/dbraw/zinc/30/09/73/203300973.db2.gz UJUJAQLASIFYMU-PWSUYJOCSA-N 1 2 231.336 1.590 20 0 BDADLO CC[C@](COC)([NH2+]CC1(C)CCC1)C(=O)OC ZINC000459563240 203301191 /nfs/dbraw/zinc/30/11/91/203301191.db2.gz UXHVXWRJURJMHP-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO COC1C[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000459573073 203302841 /nfs/dbraw/zinc/30/28/41/203302841.db2.gz BXFHNLFOCKDLJF-UHFFFAOYSA-N 1 2 243.310 1.907 20 0 BDADLO CC[C@@](COC)([NH2+]CC[C@H](C)F)C(=O)OC ZINC000459567079 203303507 /nfs/dbraw/zinc/30/35/07/203303507.db2.gz ZXQHHSUFNWOUOP-ONGXEEELSA-N 1 2 235.299 1.292 20 0 BDADLO CC[C@@](COC)([NH2+]CCCC(C)C)C(=O)OC ZINC000459566887 203303823 /nfs/dbraw/zinc/30/38/23/203303823.db2.gz ZFDKDILKOCKTSY-ZDUSSCGKSA-N 1 2 245.363 1.980 20 0 BDADLO CCOC1(C)C[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000459612418 203316608 /nfs/dbraw/zinc/31/66/08/203316608.db2.gz BCMYOGZWZBHTRO-UHFFFAOYSA-N 1 2 237.347 1.648 20 0 BDADLO CCOC1(C)C[NH+](Cc2cccn2C)C1 ZINC000459622304 203319785 /nfs/dbraw/zinc/31/97/85/203319785.db2.gz OPRZZAUDNNCNEC-UHFFFAOYSA-N 1 2 208.305 1.636 20 0 BDADLO COCC1(C)C[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000459624803 203321202 /nfs/dbraw/zinc/32/12/02/203321202.db2.gz UYNCJNWYUQYIFL-UHFFFAOYSA-N 1 2 239.290 2.000 20 0 BDADLO NC(=O)CC1C[NH+](Cc2ccsc2Cl)C1 ZINC000459636040 203326908 /nfs/dbraw/zinc/32/69/08/203326908.db2.gz VTXQNMTWNQIPGG-UHFFFAOYSA-N 1 2 244.747 1.709 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1CCC1 ZINC000619513622 369456317 /nfs/dbraw/zinc/45/63/17/369456317.db2.gz RANLDSYLDSPWDC-UWVGGRQHSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1CCC1 ZINC000619513622 369456321 /nfs/dbraw/zinc/45/63/21/369456321.db2.gz RANLDSYLDSPWDC-UWVGGRQHSA-N 1 2 215.268 1.372 20 0 BDADLO CCc1noc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000060598318 369497826 /nfs/dbraw/zinc/49/78/26/369497826.db2.gz VILQWJCIQAVGBS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000060598318 369497827 /nfs/dbraw/zinc/49/78/27/369497827.db2.gz VILQWJCIQAVGBS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H]1CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000619655300 369509205 /nfs/dbraw/zinc/50/92/05/369509205.db2.gz ZDDHBKVNENJHNU-SNVBAGLBSA-N 1 2 222.292 1.077 20 0 BDADLO C[C@@H]1CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000619667028 369518005 /nfs/dbraw/zinc/51/80/05/369518005.db2.gz MQKNRPXHZMQQBK-LLVKDONJSA-N 1 2 236.319 1.467 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C(=O)OC)C1CC1 ZINC000459781477 203367885 /nfs/dbraw/zinc/36/78/85/203367885.db2.gz SPBHFGZSCVDNOI-VWYCJHECSA-N 1 2 227.304 1.095 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC(C)C)C(C)(C)C ZINC000619719640 369550131 /nfs/dbraw/zinc/55/01/31/369550131.db2.gz QVCWSWKHEGLLTH-NSHDSACASA-N 1 2 245.363 1.836 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC)CCO1 ZINC000069862402 370990800 /nfs/dbraw/zinc/99/08/00/370990800.db2.gz YRSCCEHSRDOGSZ-GUBZILKMSA-N 1 2 215.293 1.095 20 0 BDADLO CC(C)[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000620041627 369684717 /nfs/dbraw/zinc/68/47/17/369684717.db2.gz MBXDSKYIMURGHX-LBPRGKRZSA-N 1 2 221.304 1.434 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000620074126 369707510 /nfs/dbraw/zinc/70/75/10/369707510.db2.gz BJUYVNLVBSJICK-QMTHXVAHSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000620411804 369867698 /nfs/dbraw/zinc/86/76/98/369867698.db2.gz LBKYSQYBHXWLFL-SNVBAGLBSA-N 1 2 209.293 1.578 20 0 BDADLO CCCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000620499991 369897212 /nfs/dbraw/zinc/89/72/12/369897212.db2.gz INJLFNWZHCYZTO-UHFFFAOYSA-N 1 2 223.320 1.922 20 0 BDADLO C[C@H](NC(=O)C1CC=CC1)c1[nH+]ccn1C ZINC000620599791 369948812 /nfs/dbraw/zinc/94/88/12/369948812.db2.gz JEQYMCAWFAQGFJ-VIFPVBQESA-N 1 2 219.288 1.564 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)c1ccco1)c1[nH+]ccn1C ZINC000620599929 369948916 /nfs/dbraw/zinc/94/89/16/369948916.db2.gz JYCOKJKZVGGZMK-NXEZZACHSA-N 1 2 247.298 1.994 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597812 369949181 /nfs/dbraw/zinc/94/91/81/369949181.db2.gz RQZSHOBCHDROFW-BDAKNGLRSA-N 1 2 209.293 1.643 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@@H](C)c2[nH+]ccn2C)o1 ZINC000620600795 369950681 /nfs/dbraw/zinc/95/06/81/369950681.db2.gz QPKBGVMJKBKNJC-QMMMGPOBSA-N 1 2 248.286 1.516 20 0 BDADLO CCn1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cn1 ZINC000620601294 369950700 /nfs/dbraw/zinc/95/07/00/369950700.db2.gz VPJYFPUPGQEXTM-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO C[C@H](NC(=O)[C@H]1CC1(C)C)c1[nH+]ccn1C ZINC000620603777 369951772 /nfs/dbraw/zinc/95/17/72/369951772.db2.gz NHIYWUMOKXKWIX-DTWKUNHWSA-N 1 2 221.304 1.643 20 0 BDADLO CCC[C@H](O)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605096 369952645 /nfs/dbraw/zinc/95/26/45/369952645.db2.gz YXCSJMNWSSOUDW-ZJUUUORDSA-N 1 2 239.319 1.148 20 0 BDADLO C[C@@H](NC(=O)c1ccc(F)cn1)c1[nH+]ccn1C ZINC000620605135 369953436 /nfs/dbraw/zinc/95/34/36/369953436.db2.gz YXWFOPGPKHLBKY-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@H](NC(=O)Cc1ccoc1)c1[nH+]ccn1C ZINC000620604901 369953514 /nfs/dbraw/zinc/95/35/14/369953514.db2.gz WQTVLYNKILAASU-VIFPVBQESA-N 1 2 233.271 1.433 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cnn1 ZINC000620605481 369954379 /nfs/dbraw/zinc/95/43/79/369954379.db2.gz FDNCJARHTLMSTM-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)ccn1 ZINC000620606630 369955224 /nfs/dbraw/zinc/95/52/24/369955224.db2.gz XWJDQYQIPQBLQX-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620608105 369956913 /nfs/dbraw/zinc/95/69/13/369956913.db2.gz MJOJTLPKWMWAOM-UWVGGRQHSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1[nH+]ccn1C ZINC000620608135 369957238 /nfs/dbraw/zinc/95/72/38/369957238.db2.gz MRDGCYPCSHXFLP-ZNSHCXBVSA-N 1 2 233.315 1.643 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594888 369948031 /nfs/dbraw/zinc/94/80/31/369948031.db2.gz IDCPCVFGIXMJKD-NXEZZACHSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@H](NC(=O)CCc1ccco1)c1[nH+]ccn1C ZINC000620597437 369948172 /nfs/dbraw/zinc/94/81/72/369948172.db2.gz OIWOSIPTSCRALN-JTQLQIEISA-N 1 2 247.298 1.823 20 0 BDADLO CC(C)(C(=O)N1CC2CC1(C)C2)c1c[nH+]c[nH]1 ZINC000621216483 370162093 /nfs/dbraw/zinc/16/20/93/370162093.db2.gz OSDHQFMTQOQCRI-UHFFFAOYSA-N 1 2 233.315 1.698 20 0 BDADLO O=C1CC[N@H+](Cc2cncc(Cl)c2)CCN1 ZINC000621254710 370188232 /nfs/dbraw/zinc/18/82/32/370188232.db2.gz HAPAIXCHGGOFGG-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2cncc(Cl)c2)CCN1 ZINC000621254710 370188237 /nfs/dbraw/zinc/18/82/37/370188237.db2.gz HAPAIXCHGGOFGG-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO NC(=O)c1c[nH]c2nc[nH+]c(NC3CCC3)c12 ZINC000621265776 370198411 /nfs/dbraw/zinc/19/84/11/370198411.db2.gz QHJBVHBJXGTGDC-UHFFFAOYSA-N 1 2 231.259 1.021 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@@H](OC)C2)n1 ZINC000076345313 370268607 /nfs/dbraw/zinc/26/86/07/370268607.db2.gz QLQVGIIESGCXLV-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@@H](OC)C2)n1 ZINC000076345313 370268612 /nfs/dbraw/zinc/26/86/12/370268612.db2.gz QLQVGIIESGCXLV-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000076403360 370280223 /nfs/dbraw/zinc/28/02/23/370280223.db2.gz APCQJNQODJRHRE-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000076403360 370280227 /nfs/dbraw/zinc/28/02/27/370280227.db2.gz APCQJNQODJRHRE-SNVBAGLBSA-N 1 2 209.293 1.411 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@](C)(O)C1CC1 ZINC000568242523 326333102 /nfs/dbraw/zinc/33/31/02/326333102.db2.gz MEAIJMGDIYWKDG-GFCCVEGCSA-N 1 2 221.304 1.088 20 0 BDADLO CCc1cc(N[C@@H](C)[C@@H](C)CO)nc[nH+]1 ZINC000077227653 370401796 /nfs/dbraw/zinc/40/17/96/370401796.db2.gz AXBHKRCSYCJHQJ-IUCAKERBSA-N 1 2 209.293 1.468 20 0 BDADLO O=C(CC[NH2+]Cc1ccn[nH]1)Nc1ccccc1 ZINC000113346303 370402975 /nfs/dbraw/zinc/40/29/75/370402975.db2.gz QMFAPXHEXDOWCS-UHFFFAOYSA-N 1 2 244.298 1.528 20 0 BDADLO Cc1nccnc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000621724803 370477309 /nfs/dbraw/zinc/47/73/09/370477309.db2.gz UMGVBQSANQUNBY-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000621724803 370477313 /nfs/dbraw/zinc/47/73/13/370477313.db2.gz UMGVBQSANQUNBY-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000621708847 370453173 /nfs/dbraw/zinc/45/31/73/370453173.db2.gz BYZVTDFMIVEWDE-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000621713615 370460807 /nfs/dbraw/zinc/46/08/07/370460807.db2.gz PFJVKSIZGAUNPB-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000621713615 370460811 /nfs/dbraw/zinc/46/08/11/370460811.db2.gz PFJVKSIZGAUNPB-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000621721380 370471967 /nfs/dbraw/zinc/47/19/67/370471967.db2.gz MSFPKKOMDXWHSL-GXSJLCMTSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccnc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000621721380 370471972 /nfs/dbraw/zinc/47/19/72/370471972.db2.gz MSFPKKOMDXWHSL-GXSJLCMTSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nccnc1CN(C)Cc1[nH+]ccn1C ZINC000621721367 370472587 /nfs/dbraw/zinc/47/25/87/370472587.db2.gz MEHYDGUUNWKPQM-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621857181 370567832 /nfs/dbraw/zinc/56/78/32/370567832.db2.gz SJDNKCDXZPUYRM-VHSXEESVSA-N 1 2 235.331 1.992 20 0 BDADLO CC(C)c1cc(CNCc2[nH]cc[nH+]2)on1 ZINC000114510112 370570361 /nfs/dbraw/zinc/57/03/61/370570361.db2.gz XOERKPNISUCOIJ-UHFFFAOYSA-N 1 2 220.276 1.811 20 0 BDADLO CCN(CC1CC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621865959 370572069 /nfs/dbraw/zinc/57/20/69/370572069.db2.gz BVSYVKZHSBDVHO-UHFFFAOYSA-N 1 2 235.331 1.946 20 0 BDADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC(F)(F)C1 ZINC000313250613 370574511 /nfs/dbraw/zinc/57/45/11/370574511.db2.gz JZKHTMPEUFMXKD-NXEZZACHSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC(F)(F)C1 ZINC000313250613 370574513 /nfs/dbraw/zinc/57/45/13/370574513.db2.gz JZKHTMPEUFMXKD-NXEZZACHSA-N 1 2 219.275 1.879 20 0 BDADLO CCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000622682942 371061186 /nfs/dbraw/zinc/06/11/86/371061186.db2.gz WVVYEJVECHDXMP-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO CCN(C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)C1CC1 ZINC000623776588 371087664 /nfs/dbraw/zinc/08/76/64/371087664.db2.gz PYQSUFWOHMIGBJ-LLVKDONJSA-N 1 2 247.342 1.765 20 0 BDADLO CCC[C@H](OCC)C(=O)NCCn1cc[nH+]c1 ZINC000624075580 371290726 /nfs/dbraw/zinc/29/07/26/371290726.db2.gz MEAFIRFJLJPJOB-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCCn1cc[nH+]c1 ZINC000624075579 371293764 /nfs/dbraw/zinc/29/37/64/371293764.db2.gz MEAFIRFJLJPJOB-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO C/C=C\CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000624086457 371298783 /nfs/dbraw/zinc/29/87/83/371298783.db2.gz GZCVQHPZBHYBLC-PKRMOACSSA-N 1 2 234.303 1.142 20 0 BDADLO C/C=C\CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000624086457 371298786 /nfs/dbraw/zinc/29/87/86/371298786.db2.gz GZCVQHPZBHYBLC-PKRMOACSSA-N 1 2 234.303 1.142 20 0 BDADLO CCCCc1cc(NCC2(O)CCCC2)nc[nH+]1 ZINC000631070384 371309925 /nfs/dbraw/zinc/30/99/25/371309925.db2.gz WDSYZUXYRHCAKD-UHFFFAOYSA-N 1 2 249.358 1.958 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000624147829 371343392 /nfs/dbraw/zinc/34/33/92/371343392.db2.gz LXBAONMDITVFOF-ZETCQYMHSA-N 1 2 229.292 1.054 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000624147699 371343548 /nfs/dbraw/zinc/34/35/48/371343548.db2.gz IQRIELHPOFRTJU-MRVPVSSYSA-N 1 2 241.303 1.199 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](C)[C@@H](CO)C1 ZINC000624413682 371503651 /nfs/dbraw/zinc/50/36/51/371503651.db2.gz NTHWHQVRDYVHLF-GHMZBOCLSA-N 1 2 236.315 1.545 20 0 BDADLO CCc1noc(C[NH+]2CCC([C@@H](C)O)CC2)n1 ZINC000225785000 371578393 /nfs/dbraw/zinc/57/83/93/371578393.db2.gz WKPQMIWBXOXJMR-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@@](C)(OC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371309 371590361 /nfs/dbraw/zinc/59/03/61/371590361.db2.gz ARPPOLZJCSEDOF-GFCCVEGCSA-N 1 2 237.303 1.110 20 0 BDADLO CC[C@@](C)(OC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371309 371590362 /nfs/dbraw/zinc/59/03/62/371590362.db2.gz ARPPOLZJCSEDOF-GFCCVEGCSA-N 1 2 237.303 1.110 20 0 BDADLO CCC(=O)C1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627373390 371591221 /nfs/dbraw/zinc/59/12/21/371591221.db2.gz PWZCMUJUPVEGQW-UHFFFAOYSA-N 1 2 247.298 1.054 20 0 BDADLO CCC(=O)C1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627373390 371591229 /nfs/dbraw/zinc/59/12/29/371591229.db2.gz PWZCMUJUPVEGQW-UHFFFAOYSA-N 1 2 247.298 1.054 20 0 BDADLO CCCCN(CCO)c1cc[nH+]c(C2CC2)n1 ZINC000176734332 168816790 /nfs/dbraw/zinc/81/67/90/168816790.db2.gz MQRWMXAUDZPEQI-UHFFFAOYSA-N 1 2 235.331 1.953 20 0 BDADLO CCO[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000627465258 371638162 /nfs/dbraw/zinc/63/81/62/371638162.db2.gz BUYFBXFCNCCKPN-ZJUUUORDSA-N 1 2 239.319 1.648 20 0 BDADLO COc1ccc[nH+]c1N(C)CCCCCO ZINC000227109013 371785736 /nfs/dbraw/zinc/78/57/36/371785736.db2.gz WELXBGFOEHIVGC-UHFFFAOYSA-N 1 2 224.304 1.689 20 0 BDADLO CC(C)(NC(=O)C12CC(C1)C2)c1[nH]cc[nH+]1 ZINC000627657217 371815932 /nfs/dbraw/zinc/81/59/32/371815932.db2.gz WHXCGVREGIRGSG-UHFFFAOYSA-N 1 2 219.288 1.561 20 0 BDADLO FC1(F)CCC[C@@H]1NCc1c[nH+]c[nH]1 ZINC000306596225 372043335 /nfs/dbraw/zinc/04/33/35/372043335.db2.gz YQDVZBJONHVVFW-QMMMGPOBSA-N 1 2 201.220 1.687 20 0 BDADLO FC1(F)CCC[C@@H]1NCc1c[nH]c[nH+]1 ZINC000306596225 372043339 /nfs/dbraw/zinc/04/33/39/372043339.db2.gz YQDVZBJONHVVFW-QMMMGPOBSA-N 1 2 201.220 1.687 20 0 BDADLO CC(C)c1cc(N[C@H](C)C[S@](C)=O)nc[nH+]1 ZINC000164214227 372121007 /nfs/dbraw/zinc/12/10/07/372121007.db2.gz WVIXVYPSWLBIAQ-JDNHERCYSA-N 1 2 241.360 1.779 20 0 BDADLO O=C1CCC[N@H+](CCc2cccs2)C1 ZINC000134193745 372178115 /nfs/dbraw/zinc/17/81/15/372178115.db2.gz BDDATTKOHIAADP-UHFFFAOYSA-N 1 2 209.314 1.956 20 0 BDADLO O=C1CCC[N@@H+](CCc2cccs2)C1 ZINC000134193745 372178120 /nfs/dbraw/zinc/17/81/20/372178120.db2.gz BDDATTKOHIAADP-UHFFFAOYSA-N 1 2 209.314 1.956 20 0 BDADLO CCCCc1cc(NCC2(CO)CC2)nc[nH+]1 ZINC000631142670 372208741 /nfs/dbraw/zinc/20/87/41/372208741.db2.gz LDKPXQUBFCRURE-UHFFFAOYSA-N 1 2 235.331 1.426 20 0 BDADLO Cc1nc(N[C@@H]2CCCC(F)(F)C2)nc(N)[nH+]1 ZINC000631171325 372215966 /nfs/dbraw/zinc/21/59/66/372215966.db2.gz WKDSYVUOQOJUCX-SSDOTTSWSA-N 1 2 243.261 1.582 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC(F)(F)C2)[nH+]1 ZINC000631171325 372215968 /nfs/dbraw/zinc/21/59/68/372215968.db2.gz WKDSYVUOQOJUCX-SSDOTTSWSA-N 1 2 243.261 1.582 20 0 BDADLO Brc1cnn(C[NH+]2CCCC2)c1 ZINC000066349261 372234948 /nfs/dbraw/zinc/23/49/48/372234948.db2.gz ATCUKFFVXBNDIG-UHFFFAOYSA-N 1 2 230.109 1.699 20 0 BDADLO C[C@H]1OCC[C@@H]1Nc1c[nH+]cc(N(C)C)c1 ZINC000631204165 372235420 /nfs/dbraw/zinc/23/54/20/372235420.db2.gz YXEFDHGMZWKJTE-SKDRFNHKSA-N 1 2 221.304 1.737 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@H]2F)nc(N)[nH+]1 ZINC000631301396 372284590 /nfs/dbraw/zinc/28/45/90/372284590.db2.gz LXJMGKDLWDVPPD-HTQZYQBOSA-N 1 2 225.271 1.285 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC[C@H]2F)[nH+]1 ZINC000631301396 372284598 /nfs/dbraw/zinc/28/45/98/372284598.db2.gz LXJMGKDLWDVPPD-HTQZYQBOSA-N 1 2 225.271 1.285 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2c2ccco2)nc(N)[nH+]1 ZINC000631304189 372287026 /nfs/dbraw/zinc/28/70/26/372287026.db2.gz XJGJRZVTEHPLHG-HTQZYQBOSA-N 1 2 231.259 1.154 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@H]2c2ccco2)[nH+]1 ZINC000631304189 372287030 /nfs/dbraw/zinc/28/70/30/372287030.db2.gz XJGJRZVTEHPLHG-HTQZYQBOSA-N 1 2 231.259 1.154 20 0 BDADLO Cc1cc(N[C@@H](C)c2nccc(N)n2)nc[nH+]1 ZINC000631355596 372311535 /nfs/dbraw/zinc/31/15/35/372311535.db2.gz PLSFLNUMZVUEJQ-QMMMGPOBSA-N 1 2 230.275 1.161 20 0 BDADLO Cc1nocc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000631423988 372353190 /nfs/dbraw/zinc/35/31/90/372353190.db2.gz IIPWWNTWMRSOHQ-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H]1COCC[C@H]1O ZINC000631530480 372412970 /nfs/dbraw/zinc/41/29/70/372412970.db2.gz ZHAVLCQBAUDRMF-ZYHUDNBSSA-N 1 2 247.298 1.135 20 0 BDADLO OCCCSc1[nH+]cnc2[nH]ccc21 ZINC000631440312 372366424 /nfs/dbraw/zinc/36/64/24/372366424.db2.gz VAMYIYLYJUYELD-UHFFFAOYSA-N 1 2 209.274 1.432 20 0 BDADLO CC[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000664438447 487528041 /nfs/dbraw/zinc/52/80/41/487528041.db2.gz SGNYIHIGYNNZRD-SECBINFHSA-N 1 2 246.318 1.546 20 0 BDADLO CCC(C)(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000171419538 372574991 /nfs/dbraw/zinc/57/49/91/372574991.db2.gz PSABSJSYRNHMGO-UHFFFAOYSA-N 1 2 242.363 1.213 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]1F ZINC000340778094 181952082 /nfs/dbraw/zinc/95/20/82/181952082.db2.gz JEOWPTDQLQIXJH-ZJUUUORDSA-N 1 2 225.267 1.280 20 0 BDADLO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000171669330 372726577 /nfs/dbraw/zinc/72/65/77/372726577.db2.gz FTHWMUIJQSYDHR-SNVBAGLBSA-N 1 2 246.301 1.490 20 0 BDADLO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000171669330 372726587 /nfs/dbraw/zinc/72/65/87/372726587.db2.gz FTHWMUIJQSYDHR-SNVBAGLBSA-N 1 2 246.301 1.490 20 0 BDADLO CC[C@H](C)Cc1noc(Cc2c[nH+]cn2C)n1 ZINC000632250580 372832455 /nfs/dbraw/zinc/83/24/55/372832455.db2.gz YOUSJDCWAUQNEH-VIFPVBQESA-N 1 2 234.303 1.983 20 0 BDADLO O=C(COc1ccsc1)NCc1c[nH+]c[nH]1 ZINC000337506673 182006281 /nfs/dbraw/zinc/00/62/81/182006281.db2.gz PITCTZWJKAFIDO-UHFFFAOYSA-N 1 2 237.284 1.166 20 0 BDADLO O=C(COc1ccsc1)NCc1c[nH]c[nH+]1 ZINC000337506673 182006284 /nfs/dbraw/zinc/00/62/84/182006284.db2.gz PITCTZWJKAFIDO-UHFFFAOYSA-N 1 2 237.284 1.166 20 0 BDADLO CN1CC[C@H]([N@H+](C)Cc2ccccc2F)C1=O ZINC000172017591 372857569 /nfs/dbraw/zinc/85/75/69/372857569.db2.gz XPTOXPNVQFDUBL-LBPRGKRZSA-N 1 2 236.290 1.488 20 0 BDADLO CN1CC[C@H]([N@@H+](C)Cc2ccccc2F)C1=O ZINC000172017591 372857575 /nfs/dbraw/zinc/85/75/75/372857575.db2.gz XPTOXPNVQFDUBL-LBPRGKRZSA-N 1 2 236.290 1.488 20 0 BDADLO O=C(C[C@@H]1CCCCO1)Nc1cc[nH+]cc1O ZINC000131994739 182018225 /nfs/dbraw/zinc/01/82/25/182018225.db2.gz IRWOZUHQKKSVPL-VIFPVBQESA-N 1 2 236.271 1.685 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc[nH+]cc1O ZINC000333565749 182021884 /nfs/dbraw/zinc/02/18/84/182021884.db2.gz OUXZUHVLIKIDLI-LPEHRKFASA-N 1 2 232.283 1.584 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(F)F ZINC000172250372 372920179 /nfs/dbraw/zinc/92/01/79/372920179.db2.gz AKBDNZPCHUMQJA-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(F)F ZINC000172250372 372920191 /nfs/dbraw/zinc/92/01/91/372920191.db2.gz AKBDNZPCHUMQJA-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCSC[C@H]1C ZINC000172589909 373019572 /nfs/dbraw/zinc/01/95/72/373019572.db2.gz FNBPRSWSPATBRI-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO CCn1ccnc1C[N@H+]1CCSC[C@H]1C ZINC000172589909 373019579 /nfs/dbraw/zinc/01/95/79/373019579.db2.gz FNBPRSWSPATBRI-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO O=C(Cc1ccon1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329385343 182056304 /nfs/dbraw/zinc/05/63/04/182056304.db2.gz RYNGSCNNBKAIGM-SNVBAGLBSA-N 1 2 246.270 1.304 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000076830295 182071379 /nfs/dbraw/zinc/07/13/79/182071379.db2.gz YKPAPOCOGHGSMU-VXGBXAGGSA-N 1 2 249.314 1.053 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632928129 373223122 /nfs/dbraw/zinc/22/31/22/373223122.db2.gz OXPZLOOIPDHEEC-UWVGGRQHSA-N 1 2 238.335 1.986 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632928130 373223401 /nfs/dbraw/zinc/22/34/01/373223401.db2.gz OXPZLOOIPDHEEC-VHSXEESVSA-N 1 2 238.335 1.986 20 0 BDADLO CCC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632839426 373183319 /nfs/dbraw/zinc/18/33/19/373183319.db2.gz USNNEFOHAIOIQZ-VIFPVBQESA-N 1 2 224.308 1.740 20 0 BDADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000274890900 182081325 /nfs/dbraw/zinc/08/13/25/182081325.db2.gz RHKGNIONQCSDPC-JTQLQIEISA-N 1 2 249.314 1.031 20 0 BDADLO O=C(NC1CCOCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000364349854 182116851 /nfs/dbraw/zinc/11/68/51/182116851.db2.gz VVKFCXQSQFHLHG-NSHDSACASA-N 1 2 249.314 1.056 20 0 BDADLO C[N@@H+]1CCC[C@H](NCc2cccc3c2OCO3)C1 ZINC000040672753 373590701 /nfs/dbraw/zinc/59/07/01/373590701.db2.gz DHGZWONKTLQCAE-LBPRGKRZSA-N 1 2 248.326 1.599 20 0 BDADLO C[N@H+]1CCC[C@H](NCc2cccc3c2OCO3)C1 ZINC000040672753 373590709 /nfs/dbraw/zinc/59/07/09/373590709.db2.gz DHGZWONKTLQCAE-LBPRGKRZSA-N 1 2 248.326 1.599 20 0 BDADLO O=C(NCC1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334352566 182146344 /nfs/dbraw/zinc/14/63/44/182146344.db2.gz HRCKFZOZSRIBNN-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO O=C(NCCC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364286451 182153938 /nfs/dbraw/zinc/15/39/38/182153938.db2.gz XWOJTJKMPUBWPS-LLVKDONJSA-N 1 2 233.315 1.362 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000633722949 373715166 /nfs/dbraw/zinc/71/51/66/373715166.db2.gz URPJEEFBVCDAGO-SECBINFHSA-N 1 2 239.294 1.310 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC12CC2 ZINC000633782489 373758324 /nfs/dbraw/zinc/75/83/24/373758324.db2.gz ZCSBYQVSKPFYLJ-NSHDSACASA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC12CC2 ZINC000633782489 373758331 /nfs/dbraw/zinc/75/83/31/373758331.db2.gz ZCSBYQVSKPFYLJ-NSHDSACASA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@]12C[C@@H]1CCCC2 ZINC000634080590 373945176 /nfs/dbraw/zinc/94/51/76/373945176.db2.gz OJFZMDSXPGOPPJ-AAEUAGOBSA-N 1 2 233.315 1.722 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ncnn2C)o1 ZINC000173870998 374109804 /nfs/dbraw/zinc/10/98/04/374109804.db2.gz CQBQJZBXNYCSEF-KOLCDFICSA-N 1 2 246.314 1.821 20 0 BDADLO Cc1nc(N(C)C2CCC(C)(C)CC2)nc(N)[nH+]1 ZINC000382137844 374191994 /nfs/dbraw/zinc/19/19/94/374191994.db2.gz COIHDKLLBSNJQZ-UHFFFAOYSA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N)nc(N(C)C2CCC(C)(C)CC2)[nH+]1 ZINC000382137844 374191999 /nfs/dbraw/zinc/19/19/99/374191999.db2.gz COIHDKLLBSNJQZ-UHFFFAOYSA-N 1 2 249.362 1.998 20 0 BDADLO CC1(F)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000634358307 374196685 /nfs/dbraw/zinc/19/66/85/374196685.db2.gz DPFWCGWSRRFMKQ-UHFFFAOYSA-N 1 2 225.267 1.234 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1noc2c1CCCC2 ZINC000114338104 182273553 /nfs/dbraw/zinc/27/35/53/182273553.db2.gz JEZNLUQHRFJAMG-UHFFFAOYSA-N 1 2 246.270 1.207 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000070651470 182273694 /nfs/dbraw/zinc/27/36/94/182273694.db2.gz YSUPQTHXGAPCOH-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000333449132 182274054 /nfs/dbraw/zinc/27/40/54/182274054.db2.gz NGYGJQFFKLIGKF-DTWKUNHWSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC(F)(F)C1 ZINC000281919466 182274160 /nfs/dbraw/zinc/27/41/60/182274160.db2.gz AKQCVPTZLSQCPV-MRVPVSSYSA-N 1 2 243.257 1.851 20 0 BDADLO Cn1nccc1CCOc1cc[nH+]cc1 ZINC000634547963 374302313 /nfs/dbraw/zinc/30/23/13/374302313.db2.gz KXZFPJXKULOLNQ-UHFFFAOYSA-N 1 2 203.245 1.437 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)c1ccco1 ZINC000008649109 182268877 /nfs/dbraw/zinc/26/88/77/182268877.db2.gz NWALHQRPVQYKKS-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccoc2C)n1 ZINC000424193354 206035022 /nfs/dbraw/zinc/03/50/22/206035022.db2.gz UJFGOQBVUCTBCN-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)ncn1 ZINC000428228378 206054520 /nfs/dbraw/zinc/05/45/20/206054520.db2.gz URDKHDLDAMTAON-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)ncn1 ZINC000428228378 206054525 /nfs/dbraw/zinc/05/45/25/206054525.db2.gz URDKHDLDAMTAON-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO O=C(N[C@@H]1CC[C@@H](F)C1)c1ccc2[nH+]ccn2c1 ZINC000334144220 182309251 /nfs/dbraw/zinc/30/92/51/182309251.db2.gz GUVQITOTXMZEIY-GHMZBOCLSA-N 1 2 247.273 1.955 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000437056061 206068169 /nfs/dbraw/zinc/06/81/69/206068169.db2.gz HQAMFULREHUJRI-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO O=c1[nH]nc(SCC[NH+]2CCCCC2)[nH]1 ZINC000194620895 206099669 /nfs/dbraw/zinc/09/96/69/206099669.db2.gz HFGMFPSSSYCNRU-UHFFFAOYSA-N 1 2 228.321 1.088 20 0 BDADLO C=Cn1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cn1 ZINC000194761355 206110507 /nfs/dbraw/zinc/11/05/07/206110507.db2.gz XNDOHGVOHZYMAA-JQWIXIFHSA-N 1 2 248.330 1.069 20 0 BDADLO C=Cn1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cn1 ZINC000194761355 206110511 /nfs/dbraw/zinc/11/05/11/206110511.db2.gz XNDOHGVOHZYMAA-JQWIXIFHSA-N 1 2 248.330 1.069 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000169798148 182341932 /nfs/dbraw/zinc/34/19/32/182341932.db2.gz ZYUOXFRZFLVRKV-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO CCOCCOC1C[NH+](Cc2ccsc2)C1 ZINC000459461699 206126783 /nfs/dbraw/zinc/12/67/83/206126783.db2.gz MCAHAFUOIFSVHR-UHFFFAOYSA-N 1 2 241.356 1.985 20 0 BDADLO COC(=O)[C@H]([N@@H+]1CC[C@@H](F)C1)C1(OC)CCC1 ZINC000459493215 206131027 /nfs/dbraw/zinc/13/10/27/206131027.db2.gz YRSVJAPRCRELGW-ZJUUUORDSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@H]([N@H+]1CC[C@@H](F)C1)C1(OC)CCC1 ZINC000459493215 206131033 /nfs/dbraw/zinc/13/10/33/206131033.db2.gz YRSVJAPRCRELGW-ZJUUUORDSA-N 1 2 245.294 1.141 20 0 BDADLO COC1(C)C[NH+](C/C=C/c2ccncc2)C1 ZINC000459580053 206135453 /nfs/dbraw/zinc/13/54/53/206135453.db2.gz JQDPDAFXMWYPTO-ONEGZZNKSA-N 1 2 218.300 1.816 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCOCC1 ZINC000280940642 182385219 /nfs/dbraw/zinc/38/52/19/182385219.db2.gz INUPXHUKTUAIRN-UHFFFAOYSA-N 1 2 246.270 1.198 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCCn1cc[nH+]c1 ZINC000182748618 170187298 /nfs/dbraw/zinc/18/72/98/170187298.db2.gz LXCGZWATOPUWBM-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO OC1C[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000071139226 183030185 /nfs/dbraw/zinc/03/01/85/183030185.db2.gz YZBCJCUSCUOHTO-UHFFFAOYSA-N 1 2 232.258 1.550 20 0 BDADLO OC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000270320895 183030476 /nfs/dbraw/zinc/03/04/76/183030476.db2.gz KKSLDRIFFLJNMR-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO OC1(C(F)F)CC[NH+](Cc2ncccn2)CC1 ZINC000361848008 183015373 /nfs/dbraw/zinc/01/53/73/183015373.db2.gz GQZRTYNEUIEJLX-UHFFFAOYSA-N 1 2 243.257 1.069 20 0 BDADLO OC1(c2ccccc2)C[NH+](C[C@H]2CCC=CO2)C1 ZINC000291650934 183022739 /nfs/dbraw/zinc/02/27/39/183022739.db2.gz UOUZQILZCBABKN-CQSZACIVSA-N 1 2 245.322 1.883 20 0 BDADLO OCC1(Nc2cc[nH+]c3ccncc23)CCC1 ZINC000271677246 183040033 /nfs/dbraw/zinc/04/00/33/183040033.db2.gz YJGWIGWACKDMET-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C2CC2)n1 ZINC000107924152 183032685 /nfs/dbraw/zinc/03/26/85/183032685.db2.gz VVNYKZYOTQMUEI-ZACCUICWSA-N 1 2 249.314 1.435 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C2CC2)n1 ZINC000107924152 183032687 /nfs/dbraw/zinc/03/26/87/183032687.db2.gz VVNYKZYOTQMUEI-ZACCUICWSA-N 1 2 249.314 1.435 20 0 BDADLO OCC(F)(F)C[NH2+]C/C=C/c1ccccc1 ZINC000183878407 183033088 /nfs/dbraw/zinc/03/30/88/183033088.db2.gz DEWXSKOEMSQAFE-QPJJXVBHSA-N 1 2 227.254 1.917 20 0 BDADLO OCCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000369225171 183050599 /nfs/dbraw/zinc/05/05/99/183050599.db2.gz IGXXVFQPUUVBGS-NSHDSACASA-N 1 2 225.288 1.425 20 0 BDADLO OCCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000369225171 183050600 /nfs/dbraw/zinc/05/06/00/183050600.db2.gz IGXXVFQPUUVBGS-NSHDSACASA-N 1 2 225.288 1.425 20 0 BDADLO OCCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000368333495 183057570 /nfs/dbraw/zinc/05/75/70/183057570.db2.gz TYZWDEXVXUIOSN-UHFFFAOYSA-N 1 2 247.245 1.358 20 0 BDADLO OCC[N@H+](C/C(Cl)=C/Cl)C1CC1 ZINC000086001395 183064749 /nfs/dbraw/zinc/06/47/49/183064749.db2.gz VRYQYZJGCVSMND-ALCCZGGFSA-N 1 2 210.104 1.762 20 0 BDADLO OCC[N@@H+](C/C(Cl)=C/Cl)C1CC1 ZINC000086001395 183064751 /nfs/dbraw/zinc/06/47/51/183064751.db2.gz VRYQYZJGCVSMND-ALCCZGGFSA-N 1 2 210.104 1.762 20 0 BDADLO OCC[N@H+](CC[C@@H]1CCCCO1)CC(F)F ZINC000361341391 183067527 /nfs/dbraw/zinc/06/75/27/183067527.db2.gz OOHCXUCSSGEVSI-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO OCC[N@@H+](CC[C@@H]1CCCCO1)CC(F)F ZINC000361341391 183067531 /nfs/dbraw/zinc/06/75/31/183067531.db2.gz OOHCXUCSSGEVSI-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO OCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000336324703 183077608 /nfs/dbraw/zinc/07/76/08/183077608.db2.gz YTUFTVZCQPBBHC-LBPRGKRZSA-N 1 2 227.254 1.689 20 0 BDADLO OCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000336324703 183077610 /nfs/dbraw/zinc/07/76/10/183077610.db2.gz YTUFTVZCQPBBHC-LBPRGKRZSA-N 1 2 227.254 1.689 20 0 BDADLO OCC[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000271720296 183096655 /nfs/dbraw/zinc/09/66/55/183096655.db2.gz WRCCJQSSSAIYHM-ZDUSSCGKSA-N 1 2 232.283 1.888 20 0 BDADLO OCC[C@H](Nc1cccc[nH+]1)C1CCOCC1 ZINC000359238918 183096222 /nfs/dbraw/zinc/09/62/22/183096222.db2.gz HXAQWVPBESRBQM-LBPRGKRZSA-N 1 2 236.315 1.671 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cscn1)c1ccco1 ZINC000184517634 183091604 /nfs/dbraw/zinc/09/16/04/183091604.db2.gz PGZNTNVIWVPZIY-SNVBAGLBSA-N 1 2 238.312 1.949 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294605752 183117668 /nfs/dbraw/zinc/11/76/68/183117668.db2.gz VIJBYHXSJYHEAB-SECBINFHSA-N 1 2 242.269 1.564 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294605752 183117671 /nfs/dbraw/zinc/11/76/71/183117671.db2.gz VIJBYHXSJYHEAB-SECBINFHSA-N 1 2 242.269 1.564 20 0 BDADLO CCCC[C@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000340625738 169011899 /nfs/dbraw/zinc/01/18/99/169011899.db2.gz QJBAFEQIXAMTSD-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OC ZINC000342709902 169012290 /nfs/dbraw/zinc/01/22/90/169012290.db2.gz NUKNMJHVTWSYKH-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000063000778 183108750 /nfs/dbraw/zinc/10/87/50/183108750.db2.gz ZPEZRJRZHUQJTI-LLVKDONJSA-N 1 2 217.272 1.233 20 0 BDADLO OC[C@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000357828418 183137270 /nfs/dbraw/zinc/13/72/70/183137270.db2.gz PYMGXZBJFQQESC-NSHDSACASA-N 1 2 243.310 1.482 20 0 BDADLO OC[C@H](CNc1cccc[nH+]1)c1cccnc1 ZINC000340904857 183138805 /nfs/dbraw/zinc/13/88/05/183138805.db2.gz URXKLJVHWKUONA-LBPRGKRZSA-N 1 2 229.283 1.665 20 0 BDADLO OC[C@H](CNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000280858775 183138956 /nfs/dbraw/zinc/13/89/56/183138956.db2.gz DLBILZJOMRHSKO-MNOVXSKESA-N 1 2 222.288 1.139 20 0 BDADLO OC[C@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000183933505 183140775 /nfs/dbraw/zinc/14/07/75/183140775.db2.gz WLFLVAOHZZWDSO-LBPRGKRZSA-N 1 2 218.256 1.498 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000336720902 169025639 /nfs/dbraw/zinc/02/56/39/169025639.db2.gz YNWMUSWFPSVTSG-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000336720902 169025642 /nfs/dbraw/zinc/02/56/42/169025642.db2.gz YNWMUSWFPSVTSG-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000086831688 183127528 /nfs/dbraw/zinc/12/75/28/183127528.db2.gz FVKPJCXIJFNHAJ-LBPRGKRZSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000086831688 183127529 /nfs/dbraw/zinc/12/75/29/183127529.db2.gz FVKPJCXIJFNHAJ-LBPRGKRZSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000015019598 183127730 /nfs/dbraw/zinc/12/77/30/183127730.db2.gz UDJLSVQIAWENSE-LBPRGKRZSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000015019598 183127733 /nfs/dbraw/zinc/12/77/33/183127733.db2.gz UDJLSVQIAWENSE-LBPRGKRZSA-N 1 2 225.263 1.019 20 0 BDADLO CCCCc1noc([C@H](C)[N@H+](CC)CCO)n1 ZINC000305215913 169032296 /nfs/dbraw/zinc/03/22/96/169032296.db2.gz RFSJRZWTWGMFLG-JTQLQIEISA-N 1 2 241.335 1.787 20 0 BDADLO CCCCc1noc([C@H](C)[N@@H+](CC)CCO)n1 ZINC000305215913 169032297 /nfs/dbraw/zinc/03/22/97/169032297.db2.gz RFSJRZWTWGMFLG-JTQLQIEISA-N 1 2 241.335 1.787 20 0 BDADLO OC[C@H]1CCCN1c1cc(NC2CCC2)[nH+]cn1 ZINC000259275324 183152097 /nfs/dbraw/zinc/15/20/97/183152097.db2.gz UXJLCQGWPRKWLU-LLVKDONJSA-N 1 2 248.330 1.402 20 0 BDADLO OC[C@H]1CCCN1c1cc(NC2CCC2)nc[nH+]1 ZINC000259275324 183152101 /nfs/dbraw/zinc/15/21/01/183152101.db2.gz UXJLCQGWPRKWLU-LLVKDONJSA-N 1 2 248.330 1.402 20 0 BDADLO OC[C@H]1C[N@H+](Cc2ccc3occc3c2)CCO1 ZINC000289574939 183155358 /nfs/dbraw/zinc/15/53/58/183155358.db2.gz HAEPFQOSEUXXSW-CYBMUJFWSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000289574939 183155359 /nfs/dbraw/zinc/15/53/59/183155359.db2.gz HAEPFQOSEUXXSW-CYBMUJFWSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@]1(F)CCC[N@H+](CCOCC(F)F)C1 ZINC000367863948 183157712 /nfs/dbraw/zinc/15/77/12/183157712.db2.gz HIJBGHMHGJUCPM-JTQLQIEISA-N 1 2 241.253 1.065 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](CCOCC(F)F)C1 ZINC000367863948 183157714 /nfs/dbraw/zinc/15/77/14/183157714.db2.gz HIJBGHMHGJUCPM-JTQLQIEISA-N 1 2 241.253 1.065 20 0 BDADLO OCc1ccc(NCc2cccc(F)c2)[nH+]c1 ZINC000340560621 183163162 /nfs/dbraw/zinc/16/31/62/183163162.db2.gz HJLFFTZZSMYRBG-UHFFFAOYSA-N 1 2 232.258 1.747 20 0 BDADLO O[C@@H](C[N@@H+]1CCO[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000368634443 183178401 /nfs/dbraw/zinc/17/84/01/183178401.db2.gz DAQIWCYVDQULDN-AGIUHOORSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@@H](C[N@H+]1CCO[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000368634443 183178404 /nfs/dbraw/zinc/17/84/04/183178404.db2.gz DAQIWCYVDQULDN-AGIUHOORSA-N 1 2 237.274 1.332 20 0 BDADLO O[C@@H](C[NH2+]Cc1cscn1)C(F)(F)F ZINC000163671196 183180594 /nfs/dbraw/zinc/18/05/94/183180594.db2.gz GEFOSWXHBRWUQT-LURJTMIESA-N 1 2 226.223 1.156 20 0 BDADLO OCc1ccc(NCc2cncc(F)c2)[nH+]c1 ZINC000356315504 183165799 /nfs/dbraw/zinc/16/57/99/183165799.db2.gz HRPMQTIWQJWJHG-UHFFFAOYSA-N 1 2 233.246 1.720 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000294775893 183208062 /nfs/dbraw/zinc/20/80/62/183208062.db2.gz KRLKNFQMYBIFAI-JTQLQIEISA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000294775893 183208066 /nfs/dbraw/zinc/20/80/66/183208066.db2.gz KRLKNFQMYBIFAI-JTQLQIEISA-N 1 2 243.253 1.158 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cnc(C)s1 ZINC000062337277 169101458 /nfs/dbraw/zinc/10/14/58/169101458.db2.gz URHWEDHXBPIHRT-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cnc(C)s1 ZINC000062337277 169101460 /nfs/dbraw/zinc/10/14/60/169101460.db2.gz URHWEDHXBPIHRT-UHFFFAOYSA-N 1 2 242.344 1.837 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000367830161 183221120 /nfs/dbraw/zinc/22/11/20/183221120.db2.gz AMLKNKZKKXWYJT-YNEHKIRRSA-N 1 2 219.284 1.193 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]21)c1ccccc1 ZINC000367830161 183221123 /nfs/dbraw/zinc/22/11/23/183221123.db2.gz AMLKNKZKKXWYJT-YNEHKIRRSA-N 1 2 219.284 1.193 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000294875477 183208824 /nfs/dbraw/zinc/20/88/24/183208824.db2.gz VDSGECBHJWFPBO-QMMMGPOBSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000294875477 183208828 /nfs/dbraw/zinc/20/88/28/183208828.db2.gz VDSGECBHJWFPBO-QMMMGPOBSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000305833837 183239631 /nfs/dbraw/zinc/23/96/31/183239631.db2.gz PFFGFTBUWBVMKK-QMMMGPOBSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000305833837 183239633 /nfs/dbraw/zinc/23/96/33/183239633.db2.gz PFFGFTBUWBVMKK-QMMMGPOBSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000336511434 183240952 /nfs/dbraw/zinc/24/09/52/183240952.db2.gz LGRJXHQBWWHQDQ-NSHDSACASA-N 1 2 232.258 1.945 20 0 BDADLO CCCN(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000299418005 169114017 /nfs/dbraw/zinc/11/40/17/169114017.db2.gz VTTSIDPSCCYSRR-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000294875474 183245740 /nfs/dbraw/zinc/24/57/40/183245740.db2.gz VDSGECBHJWFPBO-MRVPVSSYSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000294875474 183245742 /nfs/dbraw/zinc/24/57/42/183245742.db2.gz VDSGECBHJWFPBO-MRVPVSSYSA-N 1 2 247.747 1.595 20 0 BDADLO Oc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000041013779 183270004 /nfs/dbraw/zinc/27/00/04/183270004.db2.gz SUOWPVXOVBDLFZ-UHFFFAOYSA-N 1 2 203.245 1.405 20 0 BDADLO Oc1cc(F)cc(CN2CCn3c[nH+]cc3C2)c1 ZINC000291702649 183259382 /nfs/dbraw/zinc/25/93/82/183259382.db2.gz ZEHBGHLJZLLVKS-UHFFFAOYSA-N 1 2 247.273 1.744 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@@H](C3CC3)C2)[nH]1 ZINC000329642987 183304608 /nfs/dbraw/zinc/30/46/08/183304608.db2.gz IUKASHLEYOOKIM-SECBINFHSA-N 1 2 222.292 1.132 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@@H](C3CC3)C2)[nH]1 ZINC000329642987 183304611 /nfs/dbraw/zinc/30/46/11/183304611.db2.gz IUKASHLEYOOKIM-SECBINFHSA-N 1 2 222.292 1.132 20 0 BDADLO c1c[nH]c(C[NH+]2CCC(c3cn[nH]c3)CC2)n1 ZINC000377627980 183322984 /nfs/dbraw/zinc/32/29/84/183322984.db2.gz ALJLFTWCWUNEGF-UHFFFAOYSA-N 1 2 231.303 1.512 20 0 BDADLO c1cc(-c2noc([C@H]3CSC[NH2+]3)n2)ccn1 ZINC000229002719 183333488 /nfs/dbraw/zinc/33/34/88/183333488.db2.gz GVIHJMMOOFIIRV-MRVPVSSYSA-N 1 2 234.284 1.467 20 0 BDADLO O=C1N=NC2C[N@@H+]([C@@H]3/C=C/CCCCC3)CCN12 ZINC000336331442 183310307 /nfs/dbraw/zinc/31/03/07/183310307.db2.gz XQICFARUPXKDKN-DUMNWFOQSA-N 1 2 248.330 1.688 20 0 BDADLO O=C1N=NC2C[N@H+]([C@@H]3/C=C/CCCCC3)CCN12 ZINC000336331442 183310309 /nfs/dbraw/zinc/31/03/09/183310309.db2.gz XQICFARUPXKDKN-DUMNWFOQSA-N 1 2 248.330 1.688 20 0 BDADLO c1cc(C[N@@H+](CC2OCCO2)C2CC2)ccn1 ZINC000180196454 183338622 /nfs/dbraw/zinc/33/86/22/183338622.db2.gz VEHYMTWAFHIGOH-UHFFFAOYSA-N 1 2 234.299 1.419 20 0 BDADLO c1cc(C[N@H+](CC2OCCO2)C2CC2)ccn1 ZINC000180196454 183338624 /nfs/dbraw/zinc/33/86/24/183338624.db2.gz VEHYMTWAFHIGOH-UHFFFAOYSA-N 1 2 234.299 1.419 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733146 169227343 /nfs/dbraw/zinc/22/73/43/169227343.db2.gz CWZZBMIERFDJQE-QMMMGPOBSA-N 1 2 227.333 1.320 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000282773565 169227753 /nfs/dbraw/zinc/22/77/53/169227753.db2.gz PATUAWNAPXGDAQ-VIFPVBQESA-N 1 2 225.292 1.160 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](C)c1nccs1 ZINC000070733147 169229049 /nfs/dbraw/zinc/22/90/49/169229049.db2.gz CWZZBMIERFDJQE-MRVPVSSYSA-N 1 2 227.333 1.320 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)on1 ZINC000265176069 183346109 /nfs/dbraw/zinc/34/61/09/183346109.db2.gz ZIYGJSMSIIJMSW-QWRGUYRKSA-N 1 2 208.261 1.428 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)on1 ZINC000265176069 183346112 /nfs/dbraw/zinc/34/61/12/183346112.db2.gz ZIYGJSMSIIJMSW-QWRGUYRKSA-N 1 2 208.261 1.428 20 0 BDADLO c1cn(-c2cccc(NCCC3CC3)n2)c[nH+]1 ZINC000376526312 183335308 /nfs/dbraw/zinc/33/53/08/183335308.db2.gz GOXAURVSKYMMKO-UHFFFAOYSA-N 1 2 228.299 1.901 20 0 BDADLO c1ccc(-c2noc([C@@H]3CSCC[NH2+]3)n2)nc1 ZINC000096881636 183385478 /nfs/dbraw/zinc/38/54/78/183385478.db2.gz KFAFIKXOSZCZIG-VIFPVBQESA-N 1 2 248.311 1.509 20 0 BDADLO c1cn(Cc2cn(-c3ccccc3)nn2)c[nH+]1 ZINC000338913217 183386335 /nfs/dbraw/zinc/38/63/35/183386335.db2.gz UZAVJRSWSNUOPP-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO c1cc(C[N@@H+]2CCCC23COC3)cc2c1OCO2 ZINC000049048790 183368299 /nfs/dbraw/zinc/36/82/99/183368299.db2.gz VVBICYSJNLLZPU-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO c1cc(C[N@H+]2CCCC23COC3)cc2c1OCO2 ZINC000049048790 183368301 /nfs/dbraw/zinc/36/83/01/183368301.db2.gz VVBICYSJNLLZPU-UHFFFAOYSA-N 1 2 247.294 1.780 20 0 BDADLO c1ccc(-c2noc([C@H]3CSCC[NH2+]3)n2)nc1 ZINC000096881637 183385614 /nfs/dbraw/zinc/38/56/14/183385614.db2.gz KFAFIKXOSZCZIG-SECBINFHSA-N 1 2 248.311 1.509 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362560726 169246029 /nfs/dbraw/zinc/24/60/29/169246029.db2.gz OBXKAKGAYJNVJL-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362560726 169246030 /nfs/dbraw/zinc/24/60/30/169246030.db2.gz OBXKAKGAYJNVJL-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000083746931 169290616 /nfs/dbraw/zinc/29/06/16/169290616.db2.gz DWKDZLUKOGIPSU-LLVKDONJSA-N 1 2 216.288 1.894 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOCC[C@@H]1C ZINC000378506161 169299348 /nfs/dbraw/zinc/29/93/48/169299348.db2.gz QZSFXWILLWGHCJ-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOCC[C@@H]1C ZINC000378506161 169299350 /nfs/dbraw/zinc/29/93/50/169299350.db2.gz QZSFXWILLWGHCJ-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCSCC(=O)NCc1[nH]cc[nH+]1 ZINC000114125729 169337255 /nfs/dbraw/zinc/33/72/55/169337255.db2.gz YHSNLLTWVIXSHE-UHFFFAOYSA-N 1 2 213.306 1.169 20 0 BDADLO CCC[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000309881355 169399948 /nfs/dbraw/zinc/39/99/48/169399948.db2.gz VLGPJWFWAWFLBP-LLVKDONJSA-N 1 2 227.304 1.264 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H](C)O1 ZINC000180311830 134328906 /nfs/dbraw/zinc/32/89/06/134328906.db2.gz HBLGUOKXNLHANE-DTORHVGOSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H](C)O1 ZINC000180311830 134328907 /nfs/dbraw/zinc/32/89/07/134328907.db2.gz HBLGUOKXNLHANE-DTORHVGOSA-N 1 2 241.253 1.675 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CC(C)(C)OC ZINC000181004265 134332875 /nfs/dbraw/zinc/33/28/75/134332875.db2.gz VILKVFZFOFRDEL-NSHDSACASA-N 1 2 245.363 1.979 20 0 BDADLO COCc1nc(C[N@H+](C)CCC2CC2)no1 ZINC000182651829 134346946 /nfs/dbraw/zinc/34/69/46/134346946.db2.gz LPCBFROSGWFKFS-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@@H+](C)CCC2CC2)no1 ZINC000182651829 134346947 /nfs/dbraw/zinc/34/69/47/134346947.db2.gz LPCBFROSGWFKFS-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)o1 ZINC000093771450 169523827 /nfs/dbraw/zinc/52/38/27/169523827.db2.gz YRNULSAONOICTA-LBPRGKRZSA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)o1 ZINC000093771450 169523828 /nfs/dbraw/zinc/52/38/28/169523828.db2.gz YRNULSAONOICTA-LBPRGKRZSA-N 1 2 236.315 1.689 20 0 BDADLO COCC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000490906433 532955756 /nfs/dbraw/zinc/95/57/56/532955756.db2.gz WAYNHKSKTODCRD-UHFFFAOYSA-N 1 2 244.335 1.043 20 0 BDADLO C[C@@H]([NH2+]Cc1ccco1)c1cnccn1 ZINC000070024352 383855671 /nfs/dbraw/zinc/85/56/71/383855671.db2.gz OHPWSEGYRNCZBI-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(F)F ZINC000493468847 533019738 /nfs/dbraw/zinc/01/97/38/533019738.db2.gz RPYZNCAIRFSHLW-KGGZQZJCSA-N 1 2 229.230 1.583 20 0 BDADLO CC[C@@H](O)[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC000313098241 383883324 /nfs/dbraw/zinc/88/33/24/383883324.db2.gz MTRSHUJNQZNBFR-NXEZZACHSA-N 1 2 209.293 1.746 20 0 BDADLO COCC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000112013121 383890155 /nfs/dbraw/zinc/89/01/55/383890155.db2.gz WEQYCLQCZLZZGI-QMMMGPOBSA-N 1 2 235.291 1.200 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)C ZINC000070249484 383895806 /nfs/dbraw/zinc/89/58/06/383895806.db2.gz GTLVBGFMVQBXNB-UHFFFAOYSA-N 1 2 209.293 1.425 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(F)(F)F ZINC000493126993 533020925 /nfs/dbraw/zinc/02/09/25/533020925.db2.gz YZJPOSYKMTVYHX-YRFDSLTASA-N 1 2 233.193 1.490 20 0 BDADLO CCOCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068285311 383982883 /nfs/dbraw/zinc/98/28/83/383982883.db2.gz WAACVCPTOFIKNO-UHFFFAOYSA-N 1 2 233.271 1.101 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cccnn1 ZINC000052831166 383994504 /nfs/dbraw/zinc/99/45/04/383994504.db2.gz NPMLIPWSHLZHDA-SECBINFHSA-N 1 2 203.249 1.174 20 0 BDADLO CCO[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000518509436 383966622 /nfs/dbraw/zinc/96/66/22/383966622.db2.gz PSQBOWDRHWDFLJ-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO CSCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000569422177 384007512 /nfs/dbraw/zinc/00/75/12/384007512.db2.gz MLTCUYFHQOVZMO-SSDOTTSWSA-N 1 2 215.322 1.734 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000569422177 384007518 /nfs/dbraw/zinc/00/75/18/384007518.db2.gz MLTCUYFHQOVZMO-SSDOTTSWSA-N 1 2 215.322 1.734 20 0 BDADLO CC(C)(C)n1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000114335563 384030844 /nfs/dbraw/zinc/03/08/44/384030844.db2.gz FVWGEMNTLZUZAJ-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccccn1 ZINC000114461035 384037373 /nfs/dbraw/zinc/03/73/73/384037373.db2.gz BONKSBSOOPKZKA-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccccn1 ZINC000114461035 384037374 /nfs/dbraw/zinc/03/73/74/384037374.db2.gz BONKSBSOOPKZKA-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO FCC(CF)[NH2+]C/C=C/c1ccncc1 ZINC000449379216 384083371 /nfs/dbraw/zinc/08/33/71/384083371.db2.gz HLHYIJVWRWUOOB-OWOJBTEDSA-N 1 2 212.243 1.992 20 0 BDADLO c1csc([C@H]([NH2+]CC2CC2)c2nnc[nH]2)c1 ZINC000293934611 384096209 /nfs/dbraw/zinc/09/62/09/384096209.db2.gz YEWRGWQWPOMIRC-JTQLQIEISA-N 1 2 234.328 1.955 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C(C)C ZINC000090579189 384106111 /nfs/dbraw/zinc/10/61/11/384106111.db2.gz ANGBYTYXRMZKNS-WDEREUQCSA-N 1 2 245.363 1.977 20 0 BDADLO COc1ncccc1C[NH2+][C@H](C)c1cnccn1 ZINC000070479141 384114972 /nfs/dbraw/zinc/11/49/72/384114972.db2.gz OXRXUDWJGFOGRS-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1[nH]cc[nH+]1 ZINC000221210271 384119809 /nfs/dbraw/zinc/11/98/09/384119809.db2.gz SVFVQWSQCCDEDM-UTLUCORTSA-N 1 2 237.303 1.545 20 0 BDADLO COCc1ccc(C[N@@H+]2CCOC[C@@H]2C)o1 ZINC000091800590 384147393 /nfs/dbraw/zinc/14/73/93/384147393.db2.gz XGIGISWJECMNIJ-JTQLQIEISA-N 1 2 225.288 1.647 20 0 BDADLO COCc1ccc(C[N@H+]2CCOC[C@@H]2C)o1 ZINC000091800590 384147395 /nfs/dbraw/zinc/14/73/95/384147395.db2.gz XGIGISWJECMNIJ-JTQLQIEISA-N 1 2 225.288 1.647 20 0 BDADLO c1ncc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)[nH]1 ZINC000091856026 384151577 /nfs/dbraw/zinc/15/15/77/384151577.db2.gz WWZWXCTVDRPSEA-QWRGUYRKSA-N 1 2 239.344 1.116 20 0 BDADLO c1ncc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)[nH]1 ZINC000091856026 384151580 /nfs/dbraw/zinc/15/15/80/384151580.db2.gz WWZWXCTVDRPSEA-QWRGUYRKSA-N 1 2 239.344 1.116 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000449393217 384161531 /nfs/dbraw/zinc/16/15/31/384161531.db2.gz LSDLDZJPAPYSIA-MRVPVSSYSA-N 1 2 227.235 1.610 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000449393217 384161532 /nfs/dbraw/zinc/16/15/32/384161532.db2.gz LSDLDZJPAPYSIA-MRVPVSSYSA-N 1 2 227.235 1.610 20 0 BDADLO CCOC(=O)C[N@H+](CCOC)[C@H]1C=CCCC1 ZINC000076669304 384202422 /nfs/dbraw/zinc/20/24/22/384202422.db2.gz VHYXUZSWBNQVPX-LBPRGKRZSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)C[N@@H+](CCOC)[C@H]1C=CCCC1 ZINC000076669304 384202426 /nfs/dbraw/zinc/20/24/26/384202426.db2.gz VHYXUZSWBNQVPX-LBPRGKRZSA-N 1 2 241.331 1.607 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccccc1O ZINC000041979366 384202919 /nfs/dbraw/zinc/20/29/19/384202919.db2.gz IBDITPLRJBTRCX-UHFFFAOYSA-N 1 2 231.255 1.019 20 0 BDADLO Cn1cccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703515 384190780 /nfs/dbraw/zinc/19/07/80/384190780.db2.gz ALMAVYOWEQDKIW-OLZOCXBDSA-N 1 2 247.342 1.268 20 0 BDADLO Cn1cccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703515 384190784 /nfs/dbraw/zinc/19/07/84/384190784.db2.gz ALMAVYOWEQDKIW-OLZOCXBDSA-N 1 2 247.342 1.268 20 0 BDADLO Cn1nccc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000092729636 384190921 /nfs/dbraw/zinc/19/09/21/384190921.db2.gz HZSHYFBZXBQCRX-LBPRGKRZSA-N 1 2 245.330 1.870 20 0 BDADLO CCCCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000092760078 384193771 /nfs/dbraw/zinc/19/37/71/384193771.db2.gz VJXAVYYSHNDFGP-UHFFFAOYSA-N 1 2 238.335 1.752 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000132416330 384230147 /nfs/dbraw/zinc/23/01/47/384230147.db2.gz PEAFJMMFNNBQJX-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132416330 384230152 /nfs/dbraw/zinc/23/01/52/384230152.db2.gz PEAFJMMFNNBQJX-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO c1nnc([C@H]([NH2+]C2CC2)c2ccccc2)[nH]1 ZINC000289270576 384230860 /nfs/dbraw/zinc/23/08/60/384230860.db2.gz PCWXLTNHBOSTRF-LLVKDONJSA-N 1 2 214.272 1.646 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000042540053 384231900 /nfs/dbraw/zinc/23/19/00/384231900.db2.gz TUXASIZVSROUBC-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO Cn1cc[nH+]c1CN(CC(F)(F)F)C1CC1 ZINC000119124822 384239022 /nfs/dbraw/zinc/23/90/22/384239022.db2.gz OFLSUUKSZFWGDJ-UHFFFAOYSA-N 1 2 233.237 1.947 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1nncn1C ZINC000050419933 384209924 /nfs/dbraw/zinc/20/99/24/384209924.db2.gz SFSSLPFLRQZEFF-QMMMGPOBSA-N 1 2 203.249 1.383 20 0 BDADLO C[C@@H]1OCCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000132187149 384220736 /nfs/dbraw/zinc/22/07/36/384220736.db2.gz KAAGLNSLOOILLQ-UWVGGRQHSA-N 1 2 233.315 1.968 20 0 BDADLO Nc1cc(C[N@H+](CC(=O)[O-])C2CCCC2)cc[nH+]1 ZINC000517177303 384225687 /nfs/dbraw/zinc/22/56/87/384225687.db2.gz NNPFCTWQAOCMMV-UHFFFAOYSA-N 1 2 249.314 1.323 20 0 BDADLO Nc1cc(C[N@@H+](CC(=O)[O-])C2CCCC2)cc[nH+]1 ZINC000517177303 384225697 /nfs/dbraw/zinc/22/56/97/384225697.db2.gz NNPFCTWQAOCMMV-UHFFFAOYSA-N 1 2 249.314 1.323 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1nccs1 ZINC000093844131 384276909 /nfs/dbraw/zinc/27/69/09/384276909.db2.gz OAEGAESRQSKHHZ-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1nccs1 ZINC000093844131 384276913 /nfs/dbraw/zinc/27/69/13/384276913.db2.gz OAEGAESRQSKHHZ-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cccc(O)c2)CCO1 ZINC000093529288 384248121 /nfs/dbraw/zinc/24/81/21/384248121.db2.gz FEGPDLOFYZYODD-CYBMUJFWSA-N 1 2 237.299 1.239 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cccc(O)c2)CCO1 ZINC000093529288 384248128 /nfs/dbraw/zinc/24/81/28/384248128.db2.gz FEGPDLOFYZYODD-CYBMUJFWSA-N 1 2 237.299 1.239 20 0 BDADLO COC[C@H]1C[N@H+](Cc2scnc2C)CCO1 ZINC000093529441 384248687 /nfs/dbraw/zinc/24/86/87/384248687.db2.gz CNFGUWWNHUKNKZ-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2scnc2C)CCO1 ZINC000093529441 384248690 /nfs/dbraw/zinc/24/86/90/384248690.db2.gz CNFGUWWNHUKNKZ-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)o1 ZINC000093771449 384269618 /nfs/dbraw/zinc/26/96/18/384269618.db2.gz YRNULSAONOICTA-GFCCVEGCSA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)o1 ZINC000093771449 384269624 /nfs/dbraw/zinc/26/96/24/384269624.db2.gz YRNULSAONOICTA-GFCCVEGCSA-N 1 2 236.315 1.689 20 0 BDADLO Cc1nc(N(C)C2CCC(CO)CC2)cc[nH+]1 ZINC000133047980 384270457 /nfs/dbraw/zinc/27/04/57/384270457.db2.gz ZZIUTIUFFROIPK-UHFFFAOYSA-N 1 2 235.331 1.772 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)CO1 ZINC000335432235 384274047 /nfs/dbraw/zinc/27/40/47/384274047.db2.gz BFXBSLHNYWEERY-VHSXEESVSA-N 1 2 231.299 1.585 20 0 BDADLO Cn1cccc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000093810443 384274192 /nfs/dbraw/zinc/27/41/92/384274192.db2.gz ARRMRRXESICAHW-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cccc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000093810443 384274200 /nfs/dbraw/zinc/27/42/00/384274200.db2.gz ARRMRRXESICAHW-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H](C)O)c1Br ZINC000235229095 384274795 /nfs/dbraw/zinc/27/47/95/384274795.db2.gz YZFQSWBBNVQSKV-SSDOTTSWSA-N 1 2 245.120 1.945 20 0 BDADLO COC(=O)C1([NH2+]CCc2cccnc2)CCCC1 ZINC000179527539 384304683 /nfs/dbraw/zinc/30/46/83/384304683.db2.gz YTINQBGHVYEEAW-UHFFFAOYSA-N 1 2 248.326 1.700 20 0 BDADLO CC[N@H+](CC(=O)N(C)C1CC1)Cc1ccccn1 ZINC000119837870 384307691 /nfs/dbraw/zinc/30/76/91/384307691.db2.gz ZXDNYBRVYYXUDU-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C1CC1)Cc1ccccn1 ZINC000119837870 384307699 /nfs/dbraw/zinc/30/76/99/384307699.db2.gz ZXDNYBRVYYXUDU-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCC1 ZINC000533437142 384319754 /nfs/dbraw/zinc/31/97/54/384319754.db2.gz GAYGLIFCBFLAFP-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCC1 ZINC000533437142 384319761 /nfs/dbraw/zinc/31/97/61/384319761.db2.gz GAYGLIFCBFLAFP-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO CC(C)n1c[nH+]cc1CNCC(F)F ZINC000147340172 384286714 /nfs/dbraw/zinc/28/67/14/384286714.db2.gz YUDGQNCQXNQXMG-UHFFFAOYSA-N 1 2 203.236 1.819 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C[C@@H](C)O)cc[nH+]1 ZINC000133388676 384287136 /nfs/dbraw/zinc/28/71/36/384287136.db2.gz KTYOQJZRRNLCBR-MWLCHTKSSA-N 1 2 221.304 1.525 20 0 BDADLO c1cc(C[NH+]2CCN(c3ccccn3)CC2)n[nH]1 ZINC000158905767 384287470 /nfs/dbraw/zinc/28/74/70/384287470.db2.gz RRQXPBFLGLCIMR-UHFFFAOYSA-N 1 2 243.314 1.127 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000173928332 384289485 /nfs/dbraw/zinc/28/94/85/384289485.db2.gz NRJZDQHKCPUMJP-UHFFFAOYSA-N 1 2 240.376 1.487 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000173928332 384289494 /nfs/dbraw/zinc/28/94/94/384289494.db2.gz NRJZDQHKCPUMJP-UHFFFAOYSA-N 1 2 240.376 1.487 20 0 BDADLO Cc1nc(N2CCOC3(CCCC3)C2)cc[nH+]1 ZINC000133436755 384292466 /nfs/dbraw/zinc/29/24/66/384292466.db2.gz CAMPJAOGDYGGBZ-UHFFFAOYSA-N 1 2 233.315 1.934 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000120582636 384361634 /nfs/dbraw/zinc/36/16/34/384361634.db2.gz AMJDTZXWXOINSW-ZETCQYMHSA-N 1 2 213.306 1.168 20 0 BDADLO OCC[N@H+](Cc1ccncc1Cl)C1CC1 ZINC000084087746 384363551 /nfs/dbraw/zinc/36/35/51/384363551.db2.gz STFWWJMZASUNEP-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO OCC[N@@H+](Cc1ccncc1Cl)C1CC1 ZINC000084087746 384363556 /nfs/dbraw/zinc/36/35/56/384363556.db2.gz STFWWJMZASUNEP-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO Cc1nnc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)[nH]1 ZINC000625653804 384368222 /nfs/dbraw/zinc/36/82/22/384368222.db2.gz VBIRZUUUWIVEOL-YUMQZZPRSA-N 1 2 244.289 1.836 20 0 BDADLO CC[C@@H](C)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304533014 384369386 /nfs/dbraw/zinc/36/93/86/384369386.db2.gz UOUNCNCUSMEXRY-HTQZYQBOSA-N 1 2 223.324 1.999 20 0 BDADLO CC[C@@H](C)C[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304533014 384369391 /nfs/dbraw/zinc/36/93/91/384369391.db2.gz UOUNCNCUSMEXRY-HTQZYQBOSA-N 1 2 223.324 1.999 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1ccc(F)cn1 ZINC000134028834 384328115 /nfs/dbraw/zinc/32/81/15/384328115.db2.gz HNQNBHPELIOHJI-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC(CO)CC1 ZINC000121112787 384396677 /nfs/dbraw/zinc/39/66/77/384396677.db2.gz GZUMKZNMFIUGPI-UHFFFAOYSA-N 1 2 249.314 1.626 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1nccs1 ZINC000175092866 384396759 /nfs/dbraw/zinc/39/67/59/384396759.db2.gz PUONKWUXPLWFKE-UHFFFAOYSA-N 1 2 222.317 1.472 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1nccs1 ZINC000175092866 384396767 /nfs/dbraw/zinc/39/67/67/384396767.db2.gz PUONKWUXPLWFKE-UHFFFAOYSA-N 1 2 222.317 1.472 20 0 BDADLO CO[C@@H](C)C[N@H+](C)CC(=O)c1ccccc1F ZINC000304553703 384397911 /nfs/dbraw/zinc/39/79/11/384397911.db2.gz FURWPDLXOBUZJB-JTQLQIEISA-N 1 2 239.290 1.975 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)CC(=O)c1ccccc1F ZINC000304553703 384397915 /nfs/dbraw/zinc/39/79/15/384397915.db2.gz FURWPDLXOBUZJB-JTQLQIEISA-N 1 2 239.290 1.975 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000248910569 384415662 /nfs/dbraw/zinc/41/56/62/384415662.db2.gz QSSFYWVMJSTBSF-MWLCHTKSSA-N 1 2 236.315 1.710 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000248910569 384415667 /nfs/dbraw/zinc/41/56/67/384415667.db2.gz QSSFYWVMJSTBSF-MWLCHTKSSA-N 1 2 236.315 1.710 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275775181 384415936 /nfs/dbraw/zinc/41/59/36/384415936.db2.gz HQLXTLWBZNOTBV-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO C[C@@H]([NH2+]Cc1ccsc1)c1ncn(C)n1 ZINC000275832005 384417194 /nfs/dbraw/zinc/41/71/94/384417194.db2.gz ONDJEOSTKSXOIU-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1csc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000334253726 384418769 /nfs/dbraw/zinc/41/87/69/384418769.db2.gz CPMZDPWXWGUREP-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO Cc1csc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000334253726 384418774 /nfs/dbraw/zinc/41/87/74/384418774.db2.gz CPMZDPWXWGUREP-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO CC[C@@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000642704395 384377796 /nfs/dbraw/zinc/37/77/96/384377796.db2.gz TVVSKEKKQIECFC-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000642704395 384377799 /nfs/dbraw/zinc/37/77/99/384377799.db2.gz TVVSKEKKQIECFC-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO CC(C)n1nnnc1SCCn1cc[nH+]c1 ZINC000121884391 384444325 /nfs/dbraw/zinc/44/43/25/384444325.db2.gz YPLGRLGRTWZYOR-UHFFFAOYSA-N 1 2 238.320 1.243 20 0 BDADLO COCC[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121637957 384430643 /nfs/dbraw/zinc/43/06/43/384430643.db2.gz LXNKWTQZWLGVHG-JTQLQIEISA-N 1 2 237.303 1.937 20 0 BDADLO Nc1[nH+]cnc(NC2CC=CC2)c1Cl ZINC000236390248 384434083 /nfs/dbraw/zinc/43/40/83/384434083.db2.gz PHDJNBOSCWMWMJ-UHFFFAOYSA-N 1 2 210.668 1.843 20 0 BDADLO Nc1nc[nH+]c(NC2CC=CC2)c1Cl ZINC000236390248 384434091 /nfs/dbraw/zinc/43/40/91/384434091.db2.gz PHDJNBOSCWMWMJ-UHFFFAOYSA-N 1 2 210.668 1.843 20 0 BDADLO CCC[C@H](CCO)CNc1cc[nH+]c(C)n1 ZINC000078673289 384457131 /nfs/dbraw/zinc/45/71/31/384457131.db2.gz ITFNJEIBUYMGIP-LLVKDONJSA-N 1 2 223.320 1.996 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CCO ZINC000121849483 384441689 /nfs/dbraw/zinc/44/16/89/384441689.db2.gz OBFCXVAOPSVDLO-VIFPVBQESA-N 1 2 223.276 1.282 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC12CC2 ZINC000334984833 384443762 /nfs/dbraw/zinc/44/37/62/384443762.db2.gz CRVNDWDONCETOZ-JTQLQIEISA-N 1 2 216.284 1.805 20 0 BDADLO C[C@H](CC(=O)Nc1ccccn1)n1cc[nH+]c1 ZINC000556704126 384459585 /nfs/dbraw/zinc/45/95/85/384459585.db2.gz ASMAYWIVKOFWLJ-SNVBAGLBSA-N 1 2 230.271 1.868 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156580 384470041 /nfs/dbraw/zinc/47/00/41/384470041.db2.gz NDOYYKHTTITEEY-JTQLQIEISA-N 1 2 225.288 1.383 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156580 384470043 /nfs/dbraw/zinc/47/00/43/384470043.db2.gz NDOYYKHTTITEEY-JTQLQIEISA-N 1 2 225.288 1.383 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)C1CC1 ZINC000048113736 384477572 /nfs/dbraw/zinc/47/75/72/384477572.db2.gz LOVCLZOLEANTQG-ZJUUUORDSA-N 1 2 236.319 1.369 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2cccs2)C1 ZINC000561066320 384477611 /nfs/dbraw/zinc/47/76/11/384477611.db2.gz SWVAVQHLSVTFHJ-UHFFFAOYSA-N 1 2 238.356 1.706 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)C ZINC000136081882 384479012 /nfs/dbraw/zinc/47/90/12/384479012.db2.gz BUWDPDLFOQVDAC-SECBINFHSA-N 1 2 224.308 1.369 20 0 BDADLO CC(C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000048727539 384505011 /nfs/dbraw/zinc/50/50/11/384505011.db2.gz QIFNONYHAFLJQV-UHFFFAOYSA-N 1 2 224.308 1.228 20 0 BDADLO C[C@@]([NH2+]Cc1ccno1)(C(N)=O)c1ccccc1 ZINC000533538079 384518530 /nfs/dbraw/zinc/51/85/30/384518530.db2.gz DQIUHMZKUQOLDO-ZDUSSCGKSA-N 1 2 245.282 1.165 20 0 BDADLO CN1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1=O ZINC000150925404 384524316 /nfs/dbraw/zinc/52/43/16/384524316.db2.gz WLRAZZXFGMESOL-LBPRGKRZSA-N 1 2 241.294 1.877 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccn1 ZINC000183971479 384545066 /nfs/dbraw/zinc/54/50/66/384545066.db2.gz KKMUGGSOVJOXEN-VIFPVBQESA-N 1 2 243.314 1.928 20 0 BDADLO Cc1ccoc1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000294249818 384546907 /nfs/dbraw/zinc/54/69/07/384546907.db2.gz WNGUWLCUAIDYSV-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cc1ccoc1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000294249818 384546914 /nfs/dbraw/zinc/54/69/14/384546914.db2.gz WNGUWLCUAIDYSV-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO O=C1C[N@H+](Cc2ccc3c(c2)CCC3)CCN1 ZINC000172284858 384559373 /nfs/dbraw/zinc/55/93/73/384559373.db2.gz JIVYXOXHSBTEOF-UHFFFAOYSA-N 1 2 230.311 1.107 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3c(c2)CCC3)CCN1 ZINC000172284858 384559380 /nfs/dbraw/zinc/55/93/80/384559380.db2.gz JIVYXOXHSBTEOF-UHFFFAOYSA-N 1 2 230.311 1.107 20 0 BDADLO CCOC[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000489902454 384559415 /nfs/dbraw/zinc/55/94/15/384559415.db2.gz VOBLCDIKXMXTQU-QMMMGPOBSA-N 1 2 234.303 1.525 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000564458891 384537772 /nfs/dbraw/zinc/53/77/72/384537772.db2.gz VSKUOQRMEBZNDR-WDEREUQCSA-N 1 2 233.315 1.804 20 0 BDADLO COC[C@H]([NH2+]Cc1cnn(C)c1)c1ccco1 ZINC000080239906 384540096 /nfs/dbraw/zinc/54/00/96/384540096.db2.gz UPIMBXXCVFCNFP-NSHDSACASA-N 1 2 235.287 1.490 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363496120 384574124 /nfs/dbraw/zinc/57/41/24/384574124.db2.gz NJJXEELRLIKSBP-WDEREUQCSA-N 1 2 246.314 1.118 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363496119 384574458 /nfs/dbraw/zinc/57/44/58/384574458.db2.gz NJJXEELRLIKSBP-QWRGUYRKSA-N 1 2 246.314 1.118 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2nncn2C)s1 ZINC000102773030 384576505 /nfs/dbraw/zinc/57/65/05/384576505.db2.gz LKGCUQCUBTYMGD-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2nncn2C)s1 ZINC000102773030 384576512 /nfs/dbraw/zinc/57/65/12/384576512.db2.gz LKGCUQCUBTYMGD-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccc(NC(=O)NCCn2cc[nH+]c2)nc1 ZINC000184217701 384578427 /nfs/dbraw/zinc/57/84/27/384578427.db2.gz PVHDFWKLMDUZQC-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO COC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000049900859 384579201 /nfs/dbraw/zinc/57/92/01/384579201.db2.gz AKHJQFJAKZRJDE-MRVPVSSYSA-N 1 2 225.313 1.840 20 0 BDADLO COC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000049900859 384579214 /nfs/dbraw/zinc/57/92/14/384579214.db2.gz AKHJQFJAKZRJDE-MRVPVSSYSA-N 1 2 225.313 1.840 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000050048532 384588001 /nfs/dbraw/zinc/58/80/01/384588001.db2.gz UCUDQBUOCLHJKW-CYBMUJFWSA-N 1 2 249.310 1.703 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000050048532 384588005 /nfs/dbraw/zinc/58/80/05/384588005.db2.gz UCUDQBUOCLHJKW-CYBMUJFWSA-N 1 2 249.310 1.703 20 0 BDADLO C[C@@H]1C[C@H](C)CN1c1cc(CO)cc[nH+]1 ZINC000158121218 384612406 /nfs/dbraw/zinc/61/24/06/384612406.db2.gz ODUMWZBELBTLNJ-VHSXEESVSA-N 1 2 206.289 1.809 20 0 BDADLO Cc1nc(N2CC[C@@H]3CCCC[C@@H]32)nc(N)[nH+]1 ZINC000302661821 384632371 /nfs/dbraw/zinc/63/23/71/384632371.db2.gz YGLPTDNNKPULKI-UWVGGRQHSA-N 1 2 233.319 1.531 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000302661821 384632380 /nfs/dbraw/zinc/63/23/80/384632380.db2.gz YGLPTDNNKPULKI-UWVGGRQHSA-N 1 2 233.319 1.531 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(C3CCC3)no2)C1 ZINC000643102457 384667306 /nfs/dbraw/zinc/66/73/06/384667306.db2.gz PJSQREAQUNCXCZ-JTQLQIEISA-N 1 2 237.303 1.730 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(C3CCC3)no2)C1 ZINC000643102457 384667311 /nfs/dbraw/zinc/66/73/11/384667311.db2.gz PJSQREAQUNCXCZ-JTQLQIEISA-N 1 2 237.303 1.730 20 0 BDADLO CC[C@@H]([NH2+]Cc1cocn1)[C@H](O)C(F)(F)F ZINC000277073693 384672447 /nfs/dbraw/zinc/67/24/47/384672447.db2.gz SUDBJBHRQHSXBQ-SFYZADRCSA-N 1 2 238.209 1.466 20 0 BDADLO Cc1cccc(C(=O)NCCn2cc[nH+]c2)c1O ZINC000042237518 384634100 /nfs/dbraw/zinc/63/41/00/384634100.db2.gz DQTSOOCFNNCUJE-UHFFFAOYSA-N 1 2 245.282 1.327 20 0 BDADLO CSCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000061680528 384653792 /nfs/dbraw/zinc/65/37/92/384653792.db2.gz CYIHQCLYPLOYJB-UHFFFAOYSA-N 1 2 211.290 1.355 20 0 BDADLO CC(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082275816 384657039 /nfs/dbraw/zinc/65/70/39/384657039.db2.gz ZGUFILJWVYNWOP-JTQLQIEISA-N 1 2 221.304 1.772 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000048484840 384675852 /nfs/dbraw/zinc/67/58/52/384675852.db2.gz AXPKEQQMZJMDBL-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000048484840 384675855 /nfs/dbraw/zinc/67/58/55/384675855.db2.gz AXPKEQQMZJMDBL-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)nc1 ZINC000185150610 384684447 /nfs/dbraw/zinc/68/44/47/384684447.db2.gz XFJRKESDUKOPHO-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)nc1 ZINC000185150610 384684453 /nfs/dbraw/zinc/68/44/53/384684453.db2.gz XFJRKESDUKOPHO-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)OC(C)C ZINC000173462181 384685139 /nfs/dbraw/zinc/68/51/39/384685139.db2.gz KDOHYIIWGLOHSV-UHFFFAOYSA-N 1 2 245.319 1.259 20 0 BDADLO COC(=O)[C@@](C)([NH2+]C[C@H](OC)C1CC1)C1CC1 ZINC000580710626 384686943 /nfs/dbraw/zinc/68/69/43/384686943.db2.gz LABWLPAWKGPBDO-AAEUAGOBSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1CCCC1)CC2 ZINC000363699333 384705178 /nfs/dbraw/zinc/70/51/78/384705178.db2.gz KUJIRPARZLRXPJ-UHFFFAOYSA-N 1 2 233.315 1.724 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[C@H]1C(C)C)CC2 ZINC000363704600 384718337 /nfs/dbraw/zinc/71/83/37/384718337.db2.gz VIZBXXKZDICEBD-RYUDHWBXSA-N 1 2 247.342 1.826 20 0 BDADLO c1c(C[NH+]2CCSCC2)nc2ncccn12 ZINC000103467885 384775294 /nfs/dbraw/zinc/77/52/94/384775294.db2.gz HTWQOTIGCAPYAH-UHFFFAOYSA-N 1 2 234.328 1.278 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)c1cccc(F)c1 ZINC000087114604 384739403 /nfs/dbraw/zinc/73/94/03/384739403.db2.gz MWQGGVUEPMLNQD-MRXNPFEDSA-N 1 2 238.287 1.867 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccnc2N)cn1 ZINC000052729710 384744854 /nfs/dbraw/zinc/74/48/54/384744854.db2.gz TZELAOHGOJABCP-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccnc2N)cn1 ZINC000052729710 384744866 /nfs/dbraw/zinc/74/48/66/384744866.db2.gz TZELAOHGOJABCP-UHFFFAOYSA-N 1 2 231.303 1.029 20 0 BDADLO Cc1ccc(C(N)=O)cc1NCc1[nH]cc[nH+]1 ZINC000083357319 384761499 /nfs/dbraw/zinc/76/14/99/384761499.db2.gz SZZXPJPATKEHJQ-UHFFFAOYSA-N 1 2 230.271 1.429 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000335440055 384768415 /nfs/dbraw/zinc/76/84/15/384768415.db2.gz GYMLMQHEMQXKQT-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000335440055 384768420 /nfs/dbraw/zinc/76/84/20/384768420.db2.gz GYMLMQHEMQXKQT-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc(C)c1 ZINC000042211502 384770343 /nfs/dbraw/zinc/77/03/43/384770343.db2.gz ZINLMMSXOVTAOE-UHFFFAOYSA-N 1 2 207.273 1.600 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc(C)c1 ZINC000042211502 384770350 /nfs/dbraw/zinc/77/03/50/384770350.db2.gz ZINLMMSXOVTAOE-UHFFFAOYSA-N 1 2 207.273 1.600 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335411096 384819446 /nfs/dbraw/zinc/81/94/46/384819446.db2.gz XOFTXMBGUOAQDG-MWLCHTKSSA-N 1 2 244.360 1.508 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335411096 384819451 /nfs/dbraw/zinc/81/94/51/384819451.db2.gz XOFTXMBGUOAQDG-MWLCHTKSSA-N 1 2 244.360 1.508 20 0 BDADLO C[C@@H]([NH2+]Cc1cncs1)c1ccon1 ZINC000308586984 384826363 /nfs/dbraw/zinc/82/63/63/384826363.db2.gz ISSGATNHXXYEJU-SSDOTTSWSA-N 1 2 209.274 1.982 20 0 BDADLO CCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000174697376 384830482 /nfs/dbraw/zinc/83/04/82/384830482.db2.gz RQNJXHAGPSGEJN-UHFFFAOYSA-N 1 2 248.330 1.234 20 0 BDADLO CCc1cc(N2CCC[C@H]2CO)nc(C)[nH+]1 ZINC000084082172 384834688 /nfs/dbraw/zinc/83/46/88/384834688.db2.gz HPKSMJLQALROSG-NSHDSACASA-N 1 2 221.304 1.309 20 0 BDADLO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000308533116 384788831 /nfs/dbraw/zinc/78/88/31/384788831.db2.gz KRUZDVBFESXQHA-CIUDSAMLSA-N 1 2 217.334 1.279 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)n1 ZINC000126650536 384814007 /nfs/dbraw/zinc/81/40/07/384814007.db2.gz WYLAHMLXZLNWRL-BJOHPYRUSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1csc(C[N@H+](C)[C@@H](C)C[S@](C)=O)n1 ZINC000126650536 384814017 /nfs/dbraw/zinc/81/40/17/384814017.db2.gz WYLAHMLXZLNWRL-BJOHPYRUSA-N 1 2 246.401 1.650 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1csnn1 ZINC000398259755 384870074 /nfs/dbraw/zinc/87/00/74/384870074.db2.gz BSKMUQLRPUTDKE-JGVFFNPUSA-N 1 2 237.332 1.683 20 0 BDADLO CCCCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364028319 384877204 /nfs/dbraw/zinc/87/72/04/384877204.db2.gz HBSUVHQMXVOPQS-SECBINFHSA-N 1 2 234.290 1.680 20 0 BDADLO CC(C)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000243176496 384881599 /nfs/dbraw/zinc/88/15/99/384881599.db2.gz JVFDFABDJOMFHI-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CC(C)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000243176496 384881603 /nfs/dbraw/zinc/88/16/03/384881603.db2.gz JVFDFABDJOMFHI-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CCCC[N@H+](C)Cc1nc(C(=O)OCC)no1 ZINC000314253371 384883425 /nfs/dbraw/zinc/88/34/25/384883425.db2.gz KXZFAEBOTNSSFU-UHFFFAOYSA-N 1 2 241.291 1.478 20 0 BDADLO CCCC[N@@H+](C)Cc1nc(C(=O)OCC)no1 ZINC000314253371 384883432 /nfs/dbraw/zinc/88/34/32/384883432.db2.gz KXZFAEBOTNSSFU-UHFFFAOYSA-N 1 2 241.291 1.478 20 0 BDADLO Cc1ccsc1C[N@H+]1CCN(C)C(=O)C1 ZINC000127348772 384885227 /nfs/dbraw/zinc/88/52/27/384885227.db2.gz PETZVEKRNJKVLF-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO Cc1ccsc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000127348772 384885229 /nfs/dbraw/zinc/88/52/29/384885229.db2.gz PETZVEKRNJKVLF-UHFFFAOYSA-N 1 2 224.329 1.331 20 0 BDADLO CCCc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000186812100 384887860 /nfs/dbraw/zinc/88/78/60/384887860.db2.gz MGEYFJNCFHUUSF-UHFFFAOYSA-N 1 2 232.327 1.571 20 0 BDADLO CCCc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000186812100 384887871 /nfs/dbraw/zinc/88/78/71/384887871.db2.gz MGEYFJNCFHUUSF-UHFFFAOYSA-N 1 2 232.327 1.571 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1cccc(O)c1 ZINC000054764938 384850392 /nfs/dbraw/zinc/85/03/92/384850392.db2.gz PHUFHOZAWSCWMF-SECBINFHSA-N 1 2 217.272 1.966 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1)c1csnn1 ZINC000398220553 384851180 /nfs/dbraw/zinc/85/11/80/384851180.db2.gz CUKHLCHKUXJXLS-QMMMGPOBSA-N 1 2 220.301 1.784 20 0 BDADLO O=C(CCc1ccoc1)NCCn1cc[nH+]c1 ZINC000177069257 384861225 /nfs/dbraw/zinc/86/12/25/384861225.db2.gz JDKOXRDJDYUEQC-UHFFFAOYSA-N 1 2 233.271 1.225 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)NC1CC1 ZINC000055053037 384865982 /nfs/dbraw/zinc/86/59/82/384865982.db2.gz AASZRRAAWYMSLP-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000055053037 384865988 /nfs/dbraw/zinc/86/59/88/384865988.db2.gz AASZRRAAWYMSLP-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000301271516 384866600 /nfs/dbraw/zinc/86/66/00/384866600.db2.gz XPGNGYZJIIGHAD-SKDRFNHKSA-N 1 2 223.320 1.994 20 0 BDADLO CC[N@H+](CCCO)Cc1ncc(Cl)n1C ZINC000128465602 384952049 /nfs/dbraw/zinc/95/20/49/384952049.db2.gz PGOUGXVYDJQATI-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CC[N@@H+](CCCO)Cc1ncc(Cl)n1C ZINC000128465602 384952054 /nfs/dbraw/zinc/95/20/54/384952054.db2.gz PGOUGXVYDJQATI-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@H]1CCC[C@@H]1O ZINC000128533175 384953994 /nfs/dbraw/zinc/95/39/94/384953994.db2.gz IXSWILZQAQADLX-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@H]1CCC[C@@H]1O ZINC000128533175 384954001 /nfs/dbraw/zinc/95/40/01/384954001.db2.gz IXSWILZQAQADLX-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO c1cn(CCNc2nnc(C3CC3)s2)c[nH+]1 ZINC000302139141 384957801 /nfs/dbraw/zinc/95/78/01/384957801.db2.gz ODHLQZJKJDEXIY-UHFFFAOYSA-N 1 2 235.316 1.724 20 0 BDADLO CCc1cc(N)nc(SCC(=O)C2CC2)[nH+]1 ZINC000279122732 384893716 /nfs/dbraw/zinc/89/37/16/384893716.db2.gz UQKPFEOVVNEAIQ-UHFFFAOYSA-N 1 2 237.328 1.692 20 0 BDADLO CSCC[C@@H](C)[N@H+](C)Cc1ncnn1C ZINC000177203638 384905010 /nfs/dbraw/zinc/90/50/10/384905010.db2.gz YQABQEYDYBNNTH-SECBINFHSA-N 1 2 228.365 1.389 20 0 BDADLO CSCC[C@@H](C)[N@@H+](C)Cc1ncnn1C ZINC000177203638 384905018 /nfs/dbraw/zinc/90/50/18/384905018.db2.gz YQABQEYDYBNNTH-SECBINFHSA-N 1 2 228.365 1.389 20 0 BDADLO CCCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000291787186 384906737 /nfs/dbraw/zinc/90/67/37/384906737.db2.gz GLZPMDVYIIEXDQ-UHFFFAOYSA-N 1 2 224.308 1.362 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000051821515 384919443 /nfs/dbraw/zinc/91/94/43/384919443.db2.gz ICWMZOLSGAGIOW-SSDOTTSWSA-N 1 2 219.235 1.091 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000051821515 384919448 /nfs/dbraw/zinc/91/94/48/384919448.db2.gz ICWMZOLSGAGIOW-SSDOTTSWSA-N 1 2 219.235 1.091 20 0 BDADLO C[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC(C)(C)C ZINC000127941306 384923604 /nfs/dbraw/zinc/92/36/04/384923604.db2.gz QHPWHYHJGHTDCH-SNVBAGLBSA-N 1 2 241.331 1.653 20 0 BDADLO CC(C)N(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000175584053 384929797 /nfs/dbraw/zinc/92/97/97/384929797.db2.gz OEARATUSMAYKHS-UHFFFAOYSA-N 1 2 236.319 1.466 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccnc(C)c1 ZINC000279132330 384933650 /nfs/dbraw/zinc/93/36/50/384933650.db2.gz XGMMBIJAHXHEGR-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)[C@H]1CCOC1 ZINC000106881628 384936416 /nfs/dbraw/zinc/93/64/16/384936416.db2.gz SBRKYLYYFGIGNT-QMMMGPOBSA-N 1 2 231.246 1.499 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1CCOC1 ZINC000106881628 384936423 /nfs/dbraw/zinc/93/64/23/384936423.db2.gz SBRKYLYYFGIGNT-QMMMGPOBSA-N 1 2 231.246 1.499 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)CCC(C)C)no1 ZINC000644568830 384966135 /nfs/dbraw/zinc/96/61/35/384966135.db2.gz BQSFGOMPNSWXQE-SNVBAGLBSA-N 1 2 227.308 1.265 20 0 BDADLO CC(C)c1nc(NCC(F)(F)CO)cc[nH+]1 ZINC000302209434 384972558 /nfs/dbraw/zinc/97/25/58/384972558.db2.gz LRRABBISQDQOTH-UHFFFAOYSA-N 1 2 231.246 1.640 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccccc1 ZINC000491476803 384979807 /nfs/dbraw/zinc/97/98/07/384979807.db2.gz CFCMBHXTWWUOOE-BQYQJAHWSA-N 1 2 241.294 1.750 20 0 BDADLO CC1(C)C(C(=O)N2CC(n3cc[nH+]c3)C2)C1(C)C ZINC000530585192 384981630 /nfs/dbraw/zinc/98/16/30/384981630.db2.gz XLZOIPMIUHRVSW-UHFFFAOYSA-N 1 2 247.342 1.949 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364098643 384983539 /nfs/dbraw/zinc/98/35/39/384983539.db2.gz UDGOGTDRZDROCY-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO CCOCCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000175964277 384987327 /nfs/dbraw/zinc/98/73/27/384987327.db2.gz AINLCHHYQDMXHU-UHFFFAOYSA-N 1 2 248.326 1.155 20 0 BDADLO COC(=O)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000096525922 385008350 /nfs/dbraw/zinc/00/83/50/385008350.db2.gz WADSPGVWASVOKF-UHFFFAOYSA-N 1 2 229.226 1.828 20 0 BDADLO CN1CC[N@H+](C/C=C\c2ccc(F)cc2)CC1=O ZINC000255755639 385013202 /nfs/dbraw/zinc/01/32/02/385013202.db2.gz MOPPYPBQVBOUCR-IHWYPQMZSA-N 1 2 248.301 1.613 20 0 BDADLO CN1CC[N@@H+](C/C=C\c2ccc(F)cc2)CC1=O ZINC000255755639 385013209 /nfs/dbraw/zinc/01/32/09/385013209.db2.gz MOPPYPBQVBOUCR-IHWYPQMZSA-N 1 2 248.301 1.613 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000107293637 384963487 /nfs/dbraw/zinc/96/34/87/384963487.db2.gz MPZQYAAEVKSGBD-DTWKUNHWSA-N 1 2 234.255 1.138 20 0 BDADLO CC1(C)C(C(=O)NCc2[nH]cc[nH+]2)C1(C)C ZINC000085710241 384964517 /nfs/dbraw/zinc/96/45/17/384964517.db2.gz OMRADSBCZIXEEU-UHFFFAOYSA-N 1 2 221.304 1.708 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C1CC1 ZINC000177604433 385062743 /nfs/dbraw/zinc/06/27/43/385062743.db2.gz UIRZXAYKNOLERL-VXGBXAGGSA-N 1 2 233.315 1.436 20 0 BDADLO CC[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000150940788 385071702 /nfs/dbraw/zinc/07/17/02/385071702.db2.gz MSVQKWUBSWUWJR-NSHDSACASA-N 1 2 236.319 1.325 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2cncnc2C)[nH]1 ZINC000569355502 385082349 /nfs/dbraw/zinc/08/23/49/385082349.db2.gz PEUQGHUPUJNOGL-MRVPVSSYSA-N 1 2 246.318 1.316 20 0 BDADLO COC[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176185425 385033673 /nfs/dbraw/zinc/03/36/73/385033673.db2.gz LWLKNQRKMMBGKG-QMMMGPOBSA-N 1 2 222.288 1.919 20 0 BDADLO Cc1cccc(CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000557664200 385083109 /nfs/dbraw/zinc/08/31/09/385083109.db2.gz INYMURKXCLQWLI-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2N)CCO1 ZINC000156333346 385036001 /nfs/dbraw/zinc/03/60/01/385036001.db2.gz RNHMMFIBCGEVSR-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2N)CCO1 ZINC000156333346 385036010 /nfs/dbraw/zinc/03/60/10/385036010.db2.gz RNHMMFIBCGEVSR-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO Nc1c(F)cccc1C[NH+]1CCOCC1 ZINC000156331803 385036665 /nfs/dbraw/zinc/03/66/65/385036665.db2.gz IJIWVWWQCJOPMB-UHFFFAOYSA-N 1 2 210.252 1.240 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CCCCC1 ZINC000188386093 385046251 /nfs/dbraw/zinc/04/62/51/385046251.db2.gz DORYRIDFPOPFQS-UHFFFAOYSA-N 1 2 235.331 1.802 20 0 BDADLO O=C(CC[C@H]1CCCO1)Nc1cc[nH+]cc1O ZINC000109889309 385112317 /nfs/dbraw/zinc/11/23/17/385112317.db2.gz FXMLYZLZNVKNCR-SECBINFHSA-N 1 2 236.271 1.685 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000530882119 385132252 /nfs/dbraw/zinc/13/22/52/385132252.db2.gz JNOXSKOODOKZCS-VIFPVBQESA-N 1 2 225.292 1.087 20 0 BDADLO Cc1ccc([S@](=O)Cc2[nH+]ccn2C)nc1 ZINC000129288896 385133995 /nfs/dbraw/zinc/13/39/95/385133995.db2.gz PJNRXZMTGYARPI-INIZCTEOSA-N 1 2 235.312 1.431 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644716227 385134057 /nfs/dbraw/zinc/13/40/57/385134057.db2.gz GPYKNQZZLUHEMU-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644716227 385134066 /nfs/dbraw/zinc/13/40/66/385134066.db2.gz GPYKNQZZLUHEMU-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000345847552 385138359 /nfs/dbraw/zinc/13/83/59/385138359.db2.gz ZCAFQGSUJNKFDF-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000345847552 385138368 /nfs/dbraw/zinc/13/83/68/385138368.db2.gz ZCAFQGSUJNKFDF-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+]Cc1ccoc1)CC2 ZINC000294081078 385086264 /nfs/dbraw/zinc/08/62/64/385086264.db2.gz LMPGQGVMNOVMNX-JTQLQIEISA-N 1 2 203.245 1.711 20 0 BDADLO CCc1ccccc1C[N@H+](C)CC(=O)OC ZINC000188793731 385090234 /nfs/dbraw/zinc/09/02/34/385090234.db2.gz CCXZECADOLPYBM-UHFFFAOYSA-N 1 2 221.300 1.854 20 0 BDADLO CCc1ccccc1C[N@@H+](C)CC(=O)OC ZINC000188793731 385090243 /nfs/dbraw/zinc/09/02/43/385090243.db2.gz CCXZECADOLPYBM-UHFFFAOYSA-N 1 2 221.300 1.854 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nc(C)no2)CC[C@H]1C ZINC000407948843 385095807 /nfs/dbraw/zinc/09/58/07/385095807.db2.gz WQWOASVERMAPHS-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nc(C)no2)CC[C@H]1C ZINC000407948843 385095811 /nfs/dbraw/zinc/09/58/11/385095811.db2.gz WQWOASVERMAPHS-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO CC[C@H](NC(=O)c1ccncc1F)c1[nH]cc[nH+]1 ZINC000157209433 385103724 /nfs/dbraw/zinc/10/37/24/385103724.db2.gz ZLYTXAQEFXFTCF-JTQLQIEISA-N 1 2 248.261 1.825 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000341225745 385104947 /nfs/dbraw/zinc/10/49/47/385104947.db2.gz COTNUOKQZAKRDA-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO Cc1cncc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000189751524 385183891 /nfs/dbraw/zinc/18/38/91/385183891.db2.gz VWAAMMAFQUPBSZ-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cncc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000189751524 385183895 /nfs/dbraw/zinc/18/38/95/385183895.db2.gz VWAAMMAFQUPBSZ-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO CC[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152159046 385158526 /nfs/dbraw/zinc/15/85/26/385158526.db2.gz YVLLIUDBIKWNEY-JTQLQIEISA-N 1 2 237.303 1.591 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000189531495 385162206 /nfs/dbraw/zinc/16/22/06/385162206.db2.gz AVUGTHQIJNVVET-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000189531495 385162211 /nfs/dbraw/zinc/16/22/11/385162211.db2.gz AVUGTHQIJNVVET-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000062255226 385168233 /nfs/dbraw/zinc/16/82/33/385168233.db2.gz IIVALQHOPUOCJG-ZDUSSCGKSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000062255226 385168235 /nfs/dbraw/zinc/16/82/35/385168235.db2.gz IIVALQHOPUOCJG-ZDUSSCGKSA-N 1 2 245.326 1.586 20 0 BDADLO Cc1occc1[S@@](=O)Cc1[nH+]ccn1C ZINC000189610329 385168969 /nfs/dbraw/zinc/16/89/69/385168969.db2.gz NMXJMWXLYZTZSR-HNNXBMFYSA-N 1 2 224.285 1.629 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CC2CC2)C1 ZINC000359689044 385177683 /nfs/dbraw/zinc/17/76/83/385177683.db2.gz SJOYMLNMGIAPRU-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](CC2CC2)C1 ZINC000359689044 385177692 /nfs/dbraw/zinc/17/76/92/385177692.db2.gz SJOYMLNMGIAPRU-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H](C)O1 ZINC000110110716 385211993 /nfs/dbraw/zinc/21/19/93/385211993.db2.gz CHBFTAQHYJHEAZ-NXEZZACHSA-N 1 2 233.315 1.968 20 0 BDADLO O=C(C[N@H+]1CCc2c(F)cccc2C1)NC1CC1 ZINC000152785518 385213288 /nfs/dbraw/zinc/21/32/88/385213288.db2.gz DQGLXQGPMMWOKT-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO O=C(C[N@@H+]1CCc2c(F)cccc2C1)NC1CC1 ZINC000152785518 385213294 /nfs/dbraw/zinc/21/32/94/385213294.db2.gz DQGLXQGPMMWOKT-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO CC(C)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152859739 385218713 /nfs/dbraw/zinc/21/87/13/385218713.db2.gz DNGUIJGTNRTIKZ-LBPRGKRZSA-N 1 2 247.342 1.823 20 0 BDADLO CCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152856466 385219505 /nfs/dbraw/zinc/21/95/05/385219505.db2.gz VHWBEMBYIRRJEB-LBPRGKRZSA-N 1 2 247.342 1.967 20 0 BDADLO COC(=O)c1ccccc1C[N@@H+]1CCOC[C@H]1C ZINC000130148627 385223266 /nfs/dbraw/zinc/22/32/66/385223266.db2.gz GKVYYTFZYQHPTM-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1ccccc1C[N@H+]1CCOC[C@H]1C ZINC000130148627 385223272 /nfs/dbraw/zinc/22/32/72/385223272.db2.gz GKVYYTFZYQHPTM-LLVKDONJSA-N 1 2 249.310 1.694 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000130420178 385246363 /nfs/dbraw/zinc/24/63/63/385246363.db2.gz LIOJROZYBUNPHI-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000130420178 385246372 /nfs/dbraw/zinc/24/63/72/385246372.db2.gz LIOJROZYBUNPHI-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000158711948 385246909 /nfs/dbraw/zinc/24/69/09/385246909.db2.gz AXFFXKWFIULZGU-QNSHHTMESA-N 1 2 245.286 1.095 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC=C(F)C1 ZINC000292259753 385306369 /nfs/dbraw/zinc/30/63/69/385306369.db2.gz HWJTUNHJCNUJEP-UHFFFAOYSA-N 1 2 238.266 1.189 20 0 BDADLO COC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191657665 385313892 /nfs/dbraw/zinc/31/38/92/385313892.db2.gz OPDYUGMUMQPIBP-UHFFFAOYSA-N 1 2 234.299 1.434 20 0 BDADLO COC(=O)[C@H](C)N(Cc1c[nH+]c[nH]1)C1CCC1 ZINC000191650774 385313911 /nfs/dbraw/zinc/31/39/11/385313911.db2.gz MPTIISBGPMPWSW-VIFPVBQESA-N 1 2 237.303 1.326 20 0 BDADLO COC(=O)[C@H](C)N(Cc1c[nH]c[nH+]1)C1CCC1 ZINC000191650774 385313915 /nfs/dbraw/zinc/31/39/15/385313915.db2.gz MPTIISBGPMPWSW-VIFPVBQESA-N 1 2 237.303 1.326 20 0 BDADLO Nc1ccnc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000154289082 385315300 /nfs/dbraw/zinc/31/53/00/385315300.db2.gz TXLHATRCRIZLNQ-UHFFFAOYSA-N 1 2 242.286 1.338 20 0 BDADLO COC[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(C)o1 ZINC000177568439 385260423 /nfs/dbraw/zinc/26/04/23/385260423.db2.gz LMAJXHBWOVOCTK-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCOC1 ZINC000290885846 385260885 /nfs/dbraw/zinc/26/08/85/385260885.db2.gz FFCIIFHFWVZJLL-CYBMUJFWSA-N 1 2 249.314 1.042 20 0 BDADLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1CCSC1 ZINC000153774660 385277297 /nfs/dbraw/zinc/27/72/97/385277297.db2.gz WXPOARQVGBBYIY-MRVPVSSYSA-N 1 2 249.343 1.305 20 0 BDADLO c1cnn([C@H]2CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000157779459 385278038 /nfs/dbraw/zinc/27/80/38/385278038.db2.gz ZFUIKJZJTABGOS-LBPRGKRZSA-N 1 2 232.287 1.708 20 0 BDADLO c1cnn([C@H]2CCC[N@H+](Cc3ccon3)C2)c1 ZINC000157779459 385278044 /nfs/dbraw/zinc/27/80/44/385278044.db2.gz ZFUIKJZJTABGOS-LBPRGKRZSA-N 1 2 232.287 1.708 20 0 BDADLO COC[C@@H](CC(C)C)[NH2+][C@@H](C)C(=O)OC ZINC000308922895 385293983 /nfs/dbraw/zinc/29/39/83/385293983.db2.gz HMHSDQVSXJYPNC-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)C ZINC000130987494 385298945 /nfs/dbraw/zinc/29/89/45/385298945.db2.gz ZGIAAKKVALAURQ-UHFFFAOYSA-N 1 2 224.308 1.310 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000407986566 385299156 /nfs/dbraw/zinc/29/91/56/385299156.db2.gz MJRDZBRXDBCZOW-UHFFFAOYSA-N 1 2 245.286 1.153 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000364292937 385332043 /nfs/dbraw/zinc/33/20/43/385332043.db2.gz OHOCPYDYZQUIOL-LLVKDONJSA-N 1 2 238.335 1.156 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCOC[C@H](C)C1 ZINC000364292937 385332046 /nfs/dbraw/zinc/33/20/46/385332046.db2.gz OHOCPYDYZQUIOL-LLVKDONJSA-N 1 2 238.335 1.156 20 0 BDADLO c1ccc2c(c1)C=C(C[NH+]1CCOCC1)CO2 ZINC000154532299 385334196 /nfs/dbraw/zinc/33/41/96/385334196.db2.gz VFFZJVNKULJXMR-UHFFFAOYSA-N 1 2 231.295 1.795 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000647313953 385340588 /nfs/dbraw/zinc/34/05/88/385340588.db2.gz PTNQNGNIRKKZAW-VWYCJHECSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(Cl)cn1 ZINC000168032703 385347253 /nfs/dbraw/zinc/34/72/53/385347253.db2.gz DOSTUNJWSJYRQP-QMMMGPOBSA-N 1 2 237.694 1.827 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000377756382 385347823 /nfs/dbraw/zinc/34/78/23/385347823.db2.gz AAUOKAWYWSBCLY-NXEZZACHSA-N 1 2 207.277 1.752 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000377756382 385347830 /nfs/dbraw/zinc/34/78/30/385347830.db2.gz AAUOKAWYWSBCLY-NXEZZACHSA-N 1 2 207.277 1.752 20 0 BDADLO Nc1[nH+]cnc(NCC2CCC2)c1Cl ZINC000192276615 385349014 /nfs/dbraw/zinc/34/90/14/385349014.db2.gz ADPBEXXWNQPWSV-UHFFFAOYSA-N 1 2 212.684 1.924 20 0 BDADLO Nc1nc[nH+]c(NCC2CCC2)c1Cl ZINC000192276615 385349020 /nfs/dbraw/zinc/34/90/20/385349020.db2.gz ADPBEXXWNQPWSV-UHFFFAOYSA-N 1 2 212.684 1.924 20 0 BDADLO CC(C)[C@@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000335965374 385367333 /nfs/dbraw/zinc/36/73/33/385367333.db2.gz KCONERRMRDGYPF-NSHDSACASA-N 1 2 223.320 1.277 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)C(=O)OC ZINC000192864112 385374368 /nfs/dbraw/zinc/37/43/68/385374368.db2.gz YGUJPAYIXAXJNG-RKDXNWHRSA-N 1 2 242.344 1.788 20 0 BDADLO CC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000309044339 385388470 /nfs/dbraw/zinc/38/84/70/385388470.db2.gz NJGJIHFZXPVYRA-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1c([C@H](C)[NH2+]Cc2ccon2)cnn1C ZINC000180704457 385394018 /nfs/dbraw/zinc/39/40/18/385394018.db2.gz UCYIGPRCCYSGCH-QMMMGPOBSA-N 1 2 220.276 1.567 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H](CO)C(C)C)no1 ZINC000180614543 385399055 /nfs/dbraw/zinc/39/90/55/385399055.db2.gz XYNTTXDDMVZOAS-SECBINFHSA-N 1 2 227.308 1.300 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000193660771 385407445 /nfs/dbraw/zinc/40/74/45/385407445.db2.gz XXVPOQKCPHSGOZ-NSHDSACASA-N 1 2 235.287 1.121 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000193660771 385407447 /nfs/dbraw/zinc/40/74/47/385407447.db2.gz XXVPOQKCPHSGOZ-NSHDSACASA-N 1 2 235.287 1.121 20 0 BDADLO CCOC[C@@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000193817970 385413552 /nfs/dbraw/zinc/41/35/52/385413552.db2.gz JLIRKCBIMNDLMZ-JTQLQIEISA-N 1 2 249.314 1.397 20 0 BDADLO CC[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763012 385426779 /nfs/dbraw/zinc/42/67/79/385426779.db2.gz IQFXKPYMAJGYBH-GZTOBOFZSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000492813822 385440176 /nfs/dbraw/zinc/44/01/76/385440176.db2.gz QLYBSTUSTVEHLX-LWTINBJPSA-N 1 2 242.282 1.695 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1CCCC1 ZINC000170744051 385442210 /nfs/dbraw/zinc/44/22/10/385442210.db2.gz RZAOXIROHOCMFL-LBPRGKRZSA-N 1 2 247.342 1.487 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCCC1 ZINC000170744051 385442213 /nfs/dbraw/zinc/44/22/13/385442213.db2.gz RZAOXIROHOCMFL-LBPRGKRZSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@H](C)C2)no1 ZINC000170771795 385444575 /nfs/dbraw/zinc/44/45/75/385444575.db2.gz SHISFGGUFPAGBR-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@H](C)C2)no1 ZINC000170771795 385444579 /nfs/dbraw/zinc/44/45/79/385444579.db2.gz SHISFGGUFPAGBR-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)c(C)s1 ZINC000170916936 385456216 /nfs/dbraw/zinc/45/62/16/385456216.db2.gz BYXQMINIGVPEHH-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)c(C)s1 ZINC000170916936 385456218 /nfs/dbraw/zinc/45/62/18/385456218.db2.gz BYXQMINIGVPEHH-SECBINFHSA-N 1 2 238.356 1.685 20 0 BDADLO COc1nccc(C[N@@H+]2CCOCC23CCC3)n1 ZINC000449031519 385432098 /nfs/dbraw/zinc/43/20/98/385432098.db2.gz VPEOELVNWQVYLK-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1nccc(C[N@H+]2CCOCC23CCC3)n1 ZINC000449031519 385432100 /nfs/dbraw/zinc/43/21/00/385432100.db2.gz VPEOELVNWQVYLK-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccccn2)[C@H]1C ZINC000156068008 385433710 /nfs/dbraw/zinc/43/37/10/385433710.db2.gz CBPNBLFQRUZJNM-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccccn2)[C@H]1C ZINC000156068008 385433714 /nfs/dbraw/zinc/43/37/14/385433714.db2.gz CBPNBLFQRUZJNM-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccc(C)cc1 ZINC000179407994 385464718 /nfs/dbraw/zinc/46/47/18/385464718.db2.gz JCQUWFLWWZVYTB-UHFFFAOYSA-N 1 2 221.300 1.642 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccc(C)cc1 ZINC000179407994 385464723 /nfs/dbraw/zinc/46/47/23/385464723.db2.gz JCQUWFLWWZVYTB-UHFFFAOYSA-N 1 2 221.300 1.642 20 0 BDADLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NC1CC1 ZINC000364542052 385477534 /nfs/dbraw/zinc/47/75/34/385477534.db2.gz ZDUMVUHRGGZILR-SNVBAGLBSA-N 1 2 248.330 1.249 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H](CO)C(C)(C)C ZINC000182815994 385479747 /nfs/dbraw/zinc/47/97/47/385479747.db2.gz FNJJGZXZXDYARC-SECBINFHSA-N 1 2 249.318 1.182 20 0 BDADLO COC(=O)C1([NH2+]CCOC(C)C)CCCCC1 ZINC000109800449 385487623 /nfs/dbraw/zinc/48/76/23/385487623.db2.gz QEVYRDGBBIKRRZ-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)o1 ZINC000051187682 385459559 /nfs/dbraw/zinc/45/95/59/385459559.db2.gz HGFXSWPGHGNYSL-ZDUSSCGKSA-N 1 2 244.294 1.904 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)c(C)n1 ZINC000444720154 385460536 /nfs/dbraw/zinc/46/05/36/385460536.db2.gz OLFFPCKJEMKVIS-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO CC(C)c1cc(C(=O)Nc2cc[nH+]cc2O)n[nH]1 ZINC000109890513 385491027 /nfs/dbraw/zinc/49/10/27/385491027.db2.gz YFHPNMYKQCKTSE-UHFFFAOYSA-N 1 2 246.270 1.886 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCCOC1 ZINC000179847750 385494557 /nfs/dbraw/zinc/49/45/57/385494557.db2.gz AMZPLTOKLFMAAO-LLVKDONJSA-N 1 2 249.314 1.938 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn(C)nn2)ccc1F ZINC000444739600 385517475 /nfs/dbraw/zinc/51/74/75/385517475.db2.gz SCEVHEJHWWJTDM-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn(C)nn2)ccc1F ZINC000444739600 385517480 /nfs/dbraw/zinc/51/74/80/385517480.db2.gz SCEVHEJHWWJTDM-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCOC1 ZINC000179863228 385496733 /nfs/dbraw/zinc/49/67/33/385496733.db2.gz YQRYDMACRYUALA-JTQLQIEISA-N 1 2 235.287 1.691 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000119968858 385510428 /nfs/dbraw/zinc/51/04/28/385510428.db2.gz SDNWOCUJTHCVJL-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000119968858 385510433 /nfs/dbraw/zinc/51/04/33/385510433.db2.gz SDNWOCUJTHCVJL-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000334191585 385516793 /nfs/dbraw/zinc/51/67/93/385516793.db2.gz PCGBJZVFQCNQJU-TXEJJXNPSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000334191585 385516796 /nfs/dbraw/zinc/51/67/96/385516796.db2.gz PCGBJZVFQCNQJU-TXEJJXNPSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCNC2=O)s1 ZINC000334272601 385531148 /nfs/dbraw/zinc/53/11/48/385531148.db2.gz XPUZFNLXEFSJBC-SECBINFHSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCNC2=O)s1 ZINC000334272601 385531152 /nfs/dbraw/zinc/53/11/52/385531152.db2.gz XPUZFNLXEFSJBC-SECBINFHSA-N 1 2 239.344 1.080 20 0 BDADLO O=C(C1CC(=O)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000364875742 385535459 /nfs/dbraw/zinc/53/54/59/385535459.db2.gz DHHPVTNNOSLQKM-VIFPVBQESA-N 1 2 247.298 1.095 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1nccs1 ZINC000157921797 385536763 /nfs/dbraw/zinc/53/67/63/385536763.db2.gz XLPSOSMDBJQEDK-MRVPVSSYSA-N 1 2 228.317 1.179 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1nccs1 ZINC000157921797 385536764 /nfs/dbraw/zinc/53/67/64/385536764.db2.gz XLPSOSMDBJQEDK-MRVPVSSYSA-N 1 2 228.317 1.179 20 0 BDADLO FC(F)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000334327354 385537251 /nfs/dbraw/zinc/53/72/51/385537251.db2.gz CFFPDAXJVGZLAG-UHFFFAOYSA-N 1 2 215.247 1.887 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1ncc[nH]1 ZINC000157937837 385537305 /nfs/dbraw/zinc/53/73/05/385537305.db2.gz OJCGSEIKKYKWBC-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1ncc[nH]1 ZINC000157937837 385537310 /nfs/dbraw/zinc/53/73/10/385537310.db2.gz OJCGSEIKKYKWBC-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cccnc1 ZINC000493171233 385545146 /nfs/dbraw/zinc/54/51/46/385545146.db2.gz LGCUAFJPZJWNEV-ONEGZZNKSA-N 1 2 242.282 1.177 20 0 BDADLO CCCCC[S@@](=O)Cc1[nH+]ccn1C ZINC000180549619 385528485 /nfs/dbraw/zinc/52/84/85/385528485.db2.gz IEKQYMJDPYMDRE-CQSZACIVSA-N 1 2 214.334 1.859 20 0 BDADLO CN(C[C@H]1CCCOC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493252920 385557880 /nfs/dbraw/zinc/55/78/80/385557880.db2.gz AVRNHXZRXITIOI-DOGVGXBMSA-N 1 2 249.314 1.308 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493328765 385563754 /nfs/dbraw/zinc/56/37/54/385563754.db2.gz CZAWHUDTXKHQKV-YHROSDCASA-N 1 2 235.287 1.107 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ncc(Cl)n1C ZINC000181140085 385565215 /nfs/dbraw/zinc/56/52/15/385565215.db2.gz YUDNPVSUYMZBGX-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ncc(Cl)n1C ZINC000181140085 385565217 /nfs/dbraw/zinc/56/52/17/385565217.db2.gz YUDNPVSUYMZBGX-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO Cc1nc(CN(C)Cc2[nH+]ccn2C(C)C)no1 ZINC000181701264 385594947 /nfs/dbraw/zinc/59/49/47/385594947.db2.gz MXKBOOVWIQJSOJ-UHFFFAOYSA-N 1 2 249.318 1.787 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(F)(F)F ZINC000434699277 385606322 /nfs/dbraw/zinc/60/63/22/385606322.db2.gz JKBBLCMEQAMERV-VIFPVBQESA-N 1 2 240.269 1.201 20 0 BDADLO C[C@H](CNc1ncc(F)cn1)Cn1cc[nH+]c1 ZINC000269512990 385602362 /nfs/dbraw/zinc/60/23/62/385602362.db2.gz SZCSCKDAXNPYCC-SECBINFHSA-N 1 2 235.266 1.560 20 0 BDADLO COC[C@H]([NH2+]C[C@@H](C)CC(C)C)C(=O)OC ZINC000309461087 385591933 /nfs/dbraw/zinc/59/19/33/385591933.db2.gz NWBRETGEMPBFDW-QWRGUYRKSA-N 1 2 231.336 1.446 20 0 BDADLO CC(=O)c1ccn(Cc2ccc[nH+]c2C)n1 ZINC000644869801 385614212 /nfs/dbraw/zinc/61/42/12/385614212.db2.gz DEMCRYMVBUVSAC-UHFFFAOYSA-N 1 2 215.256 1.837 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cnccn1 ZINC000269631353 385615958 /nfs/dbraw/zinc/61/59/58/385615958.db2.gz PXAJWLMCZCNCQV-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cnccn1 ZINC000269631353 385615962 /nfs/dbraw/zinc/61/59/62/385615962.db2.gz PXAJWLMCZCNCQV-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280997718 385625774 /nfs/dbraw/zinc/62/57/74/385625774.db2.gz MHMYLMCQAGPNEB-PSASIEDQSA-N 1 2 230.271 1.864 20 0 BDADLO FC(F)(F)COCC[NH2+]Cc1ccn[nH]1 ZINC000066990149 385625951 /nfs/dbraw/zinc/62/59/51/385625951.db2.gz HJXKGGORADUIBK-UHFFFAOYSA-N 1 2 223.198 1.078 20 0 BDADLO C[C@]1(Nc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000153482318 385630849 /nfs/dbraw/zinc/63/08/49/385630849.db2.gz HZFGMRDLTGLGOZ-LBPRGKRZSA-N 1 2 219.288 1.945 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC=C(C)C2)n1 ZINC000280822603 385607814 /nfs/dbraw/zinc/60/78/14/385607814.db2.gz NPUIAWYTVTZALU-UHFFFAOYSA-N 1 2 233.315 1.897 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2CCC=C(C)C2)n1 ZINC000280822603 385607820 /nfs/dbraw/zinc/60/78/20/385607820.db2.gz NPUIAWYTVTZALU-UHFFFAOYSA-N 1 2 233.315 1.897 20 0 BDADLO CC(C)=CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000365136099 385612249 /nfs/dbraw/zinc/61/22/49/385612249.db2.gz NTOWZZFRVGEYFZ-LBPRGKRZSA-N 1 2 247.342 1.918 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000182178635 385639278 /nfs/dbraw/zinc/63/92/78/385639278.db2.gz LLYQCORCGYFCFM-NEPJUHHUSA-N 1 2 239.315 1.996 20 0 BDADLO CO[C@H](C)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000182178635 385639283 /nfs/dbraw/zinc/63/92/83/385639283.db2.gz LLYQCORCGYFCFM-NEPJUHHUSA-N 1 2 239.315 1.996 20 0 BDADLO CC[C@@H](Cn1cncn1)[NH2+]C1(C(F)F)CC1 ZINC000336681898 385639861 /nfs/dbraw/zinc/63/98/61/385639861.db2.gz DDFLUIQZXWJQAC-QMMMGPOBSA-N 1 2 230.262 1.444 20 0 BDADLO O=C1C[N@H+](CCCOCc2ccccc2)CCN1 ZINC000182178090 385640422 /nfs/dbraw/zinc/64/04/22/385640422.db2.gz RQLWPDDCQQRFNQ-UHFFFAOYSA-N 1 2 248.326 1.025 20 0 BDADLO O=C1C[N@@H+](CCCOCc2ccccc2)CCN1 ZINC000182178090 385640429 /nfs/dbraw/zinc/64/04/29/385640429.db2.gz RQLWPDDCQQRFNQ-UHFFFAOYSA-N 1 2 248.326 1.025 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@@H](C)C2)nc[nH+]1 ZINC000281179922 385640994 /nfs/dbraw/zinc/64/09/94/385640994.db2.gz ATYMODVWJSFDHW-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@@H](C)C2)[nH+]cn1 ZINC000281179922 385640995 /nfs/dbraw/zinc/64/09/95/385640995.db2.gz ATYMODVWJSFDHW-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO COC[C@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337425730 385654980 /nfs/dbraw/zinc/65/49/80/385654980.db2.gz WPSMRZFEMFYBKP-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO COC[C@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337425730 385654983 /nfs/dbraw/zinc/65/49/83/385654983.db2.gz WPSMRZFEMFYBKP-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccn1 ZINC000054763514 385656505 /nfs/dbraw/zinc/65/65/05/385656505.db2.gz VMSBBXISJNEQRZ-SECBINFHSA-N 1 2 202.261 1.656 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](OCC(C)C)C2)n1 ZINC000119510918 385672753 /nfs/dbraw/zinc/67/27/53/385672753.db2.gz RMQJNHBCGPLRRV-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)n1 ZINC000119510918 385672757 /nfs/dbraw/zinc/67/27/57/385672757.db2.gz RMQJNHBCGPLRRV-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1noc(OCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000337479746 385679844 /nfs/dbraw/zinc/67/98/44/385679844.db2.gz VAODONJMNSWNDE-UHFFFAOYSA-N 1 2 244.254 1.913 20 0 BDADLO CCCc1noc(C[NH+](C)C[C@@H]2CCCO2)n1 ZINC000052101903 385682063 /nfs/dbraw/zinc/68/20/63/385682063.db2.gz KLIQDFJFLURVID-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CCO1 ZINC000645219928 385686457 /nfs/dbraw/zinc/68/64/57/385686457.db2.gz MQRRSEYRIFRASB-NEPJUHHUSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)CCO1 ZINC000645219928 385686463 /nfs/dbraw/zinc/68/64/63/385686463.db2.gz MQRRSEYRIFRASB-NEPJUHHUSA-N 1 2 249.310 1.547 20 0 BDADLO CC[C@H](NCC(F)(F)CO)c1[nH+]ccn1C ZINC000184686256 385693767 /nfs/dbraw/zinc/69/37/67/385693767.db2.gz AYPKHZUZAVHCAB-QMMMGPOBSA-N 1 2 233.262 1.088 20 0 BDADLO CC(C)[C@](C)(CO)[NH2+]CC(=O)OC(C)(C)C ZINC000336687141 385703365 /nfs/dbraw/zinc/70/33/65/385703365.db2.gz UZACHRPMEDPCEC-LBPRGKRZSA-N 1 2 231.336 1.325 20 0 BDADLO COCCn1cc(CNc2cc[nH+]c(C)n2)cn1 ZINC000281873823 385709018 /nfs/dbraw/zinc/70/90/18/385709018.db2.gz LCHBEZYRPKRWPS-UHFFFAOYSA-N 1 2 247.302 1.240 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000281872229 385709930 /nfs/dbraw/zinc/70/99/30/385709930.db2.gz MJEBDRWMOBAWMO-ZDUSSCGKSA-N 1 2 247.298 1.245 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000281872209 385710235 /nfs/dbraw/zinc/71/02/35/385710235.db2.gz MJEBDRWMOBAWMO-CYBMUJFWSA-N 1 2 247.298 1.245 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](F)C1 ZINC000451203515 385711516 /nfs/dbraw/zinc/71/15/16/385711516.db2.gz ZIQPFBXOMDMADR-VHSXEESVSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](F)C1 ZINC000451203515 385711520 /nfs/dbraw/zinc/71/15/20/385711520.db2.gz ZIQPFBXOMDMADR-VHSXEESVSA-N 1 2 217.284 1.618 20 0 BDADLO COCC[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000281922575 385715447 /nfs/dbraw/zinc/71/54/47/385715447.db2.gz RBOGPGOCUWURQJ-SNVBAGLBSA-N 1 2 247.298 1.439 20 0 BDADLO c1cn2c(cccc2CNc2ccon2)[nH+]1 ZINC000184249073 385668061 /nfs/dbraw/zinc/66/80/61/385668061.db2.gz DPLBTOKIGUBNHG-UHFFFAOYSA-N 1 2 214.228 1.934 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000182464108 385670736 /nfs/dbraw/zinc/67/07/36/385670736.db2.gz YPVFHINUVNURAR-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000182464108 385670737 /nfs/dbraw/zinc/67/07/37/385670737.db2.gz YPVFHINUVNURAR-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO FC(F)c1nnc(NCCn2cc[nH+]c2)o1 ZINC000292417232 385729282 /nfs/dbraw/zinc/72/92/82/385729282.db2.gz FCEQRHKEQRWMHC-UHFFFAOYSA-N 1 2 229.190 1.316 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000408375822 385742476 /nfs/dbraw/zinc/74/24/76/385742476.db2.gz PYQNNVJAJRLWGY-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)[nH]1 ZINC000408375822 385742481 /nfs/dbraw/zinc/74/24/81/385742481.db2.gz PYQNNVJAJRLWGY-VHSXEESVSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1cccnc1C(=O)N1CC[NH+](C)CC1 ZINC000270876682 385755455 /nfs/dbraw/zinc/75/54/55/385755455.db2.gz DFXBOOPIUZNSAG-UHFFFAOYSA-N 1 2 233.315 1.032 20 0 BDADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000282810808 385786835 /nfs/dbraw/zinc/78/68/35/385786835.db2.gz PDFMLYWKXSQILV-ITKZLYELSA-N 1 2 249.314 1.450 20 0 BDADLO CC(C)c1nc(N(C)C2CC2)nc(N(C)C)[nH+]1 ZINC000270905938 385758193 /nfs/dbraw/zinc/75/81/93/385758193.db2.gz GJDBLUDPMISZKP-UHFFFAOYSA-N 1 2 235.335 1.660 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N(C)C2CC2)[nH+]1 ZINC000270905938 385758196 /nfs/dbraw/zinc/75/81/96/385758196.db2.gz GJDBLUDPMISZKP-UHFFFAOYSA-N 1 2 235.335 1.660 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OC ZINC000309646557 385762926 /nfs/dbraw/zinc/76/29/26/385762926.db2.gz MNCOXTAZLLKOFN-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)c1noc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000270969693 385764006 /nfs/dbraw/zinc/76/40/06/385764006.db2.gz CIKWQXWHJWUCJY-UHFFFAOYSA-N 1 2 249.318 1.559 20 0 BDADLO CCCC[N@H+](CCO)Cc1cn[nH]c1C ZINC000271015754 385770185 /nfs/dbraw/zinc/77/01/85/385770185.db2.gz RHXPJFDIGDJSGY-UHFFFAOYSA-N 1 2 211.309 1.313 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2sccc2C1 ZINC000271047506 385779770 /nfs/dbraw/zinc/77/97/70/385779770.db2.gz RSFRLZSHBXERLD-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2sccc2C1 ZINC000271047506 385779774 /nfs/dbraw/zinc/77/97/74/385779774.db2.gz RSFRLZSHBXERLD-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO CC(C)[C@@H](NC(=O)CC(C)(C)O)c1[nH]cc[nH+]1 ZINC000282711709 385780996 /nfs/dbraw/zinc/78/09/96/385780996.db2.gz AQBPEJMOEDVNIT-SNVBAGLBSA-N 1 2 239.319 1.384 20 0 BDADLO CSCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000282729997 385782582 /nfs/dbraw/zinc/78/25/82/385782582.db2.gz CITDYBXBMUECGM-SECBINFHSA-N 1 2 227.333 1.586 20 0 BDADLO CO[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000282728720 385782610 /nfs/dbraw/zinc/78/26/10/385782610.db2.gz IEOAWTTUHSLWHI-ISBNUJHVSA-N 1 2 249.314 1.449 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC(C)(C)CC1 ZINC000337784721 385783551 /nfs/dbraw/zinc/78/35/51/385783551.db2.gz ANLBDABTLFFUGI-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+](C)Cc1ccc(F)cc1 ZINC000188589908 385788148 /nfs/dbraw/zinc/78/81/48/385788148.db2.gz NZURSPFQUQGHCW-SECBINFHSA-N 1 2 249.293 1.542 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000188589908 385788150 /nfs/dbraw/zinc/78/81/50/385788150.db2.gz NZURSPFQUQGHCW-SECBINFHSA-N 1 2 249.293 1.542 20 0 BDADLO CCCC1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000336690682 385721072 /nfs/dbraw/zinc/72/10/72/385721072.db2.gz MIODLGHKEYGXLD-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CCCC1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000336690682 385721077 /nfs/dbraw/zinc/72/10/77/385721077.db2.gz MIODLGHKEYGXLD-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CCC[C@]1([NH2+]Cc2noc(C)n2)CCOC1 ZINC000336736016 385727354 /nfs/dbraw/zinc/72/73/54/385727354.db2.gz MDQCLIGTOQAUKK-NSHDSACASA-N 1 2 225.292 1.427 20 0 BDADLO CCc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183872643 385800513 /nfs/dbraw/zinc/80/05/13/385800513.db2.gz ZKUSFBAIFFXBSY-UHFFFAOYSA-N 1 2 229.270 1.966 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(O)c2)[C@@H](C)C1 ZINC000271195880 385802963 /nfs/dbraw/zinc/80/29/63/385802963.db2.gz RAJBJQUVSJSGMH-NSHDSACASA-N 1 2 248.326 1.445 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(O)c2)[C@@H](C)C1 ZINC000271195880 385802969 /nfs/dbraw/zinc/80/29/69/385802969.db2.gz RAJBJQUVSJSGMH-NSHDSACASA-N 1 2 248.326 1.445 20 0 BDADLO COc1nccnc1C[NH2+]Cc1c(C)noc1C ZINC000294083390 385803253 /nfs/dbraw/zinc/80/32/53/385803253.db2.gz AJHAITCOYBYMFE-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000271219498 385806344 /nfs/dbraw/zinc/80/63/44/385806344.db2.gz YHSXXBSITKNKCK-USBNGQNGSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000271219498 385806348 /nfs/dbraw/zinc/80/63/48/385806348.db2.gz YHSXXBSITKNKCK-USBNGQNGSA-N 1 2 241.356 1.929 20 0 BDADLO C[C@@H](O)[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283076238 385808439 /nfs/dbraw/zinc/80/84/39/385808439.db2.gz KTOOICLPCBQVKP-PLWSPRCSSA-N 1 2 249.314 1.185 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C)nc1 ZINC000283117810 385810689 /nfs/dbraw/zinc/81/06/89/385810689.db2.gz SXMDIVNIOIFWPT-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C)nc1 ZINC000283117810 385810693 /nfs/dbraw/zinc/81/06/93/385810693.db2.gz SXMDIVNIOIFWPT-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283460060 385820704 /nfs/dbraw/zinc/82/07/04/385820704.db2.gz LOUIIPHEJMTNPS-NSCUHMNNSA-N 1 2 233.193 1.444 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)nn1 ZINC000283555632 385821887 /nfs/dbraw/zinc/82/18/87/385821887.db2.gz NMXOSHNWXIHITM-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)nn1 ZINC000283555632 385821893 /nfs/dbraw/zinc/82/18/93/385821893.db2.gz NMXOSHNWXIHITM-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOc1ccccc1 ZINC000187006715 385823224 /nfs/dbraw/zinc/82/32/24/385823224.db2.gz ROEPXVWIMFOHLE-LBPRGKRZSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOc1ccccc1 ZINC000187006715 385823226 /nfs/dbraw/zinc/82/32/26/385823226.db2.gz ROEPXVWIMFOHLE-LBPRGKRZSA-N 1 2 248.326 1.228 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187004946 385823617 /nfs/dbraw/zinc/82/36/17/385823617.db2.gz VAIFPPACYMPDSP-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CCOCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187004946 385823622 /nfs/dbraw/zinc/82/36/22/385823622.db2.gz VAIFPPACYMPDSP-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1nc(N2CC3(C2)CCOC3)cc[nH+]1 ZINC000294251754 385827231 /nfs/dbraw/zinc/82/72/31/385827231.db2.gz WNGBUIGFUICTTO-UHFFFAOYSA-N 1 2 205.261 1.012 20 0 BDADLO CCC1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283871500 385835997 /nfs/dbraw/zinc/83/59/97/385835997.db2.gz HUPBKRAWWZYQAL-ONEGZZNKSA-N 1 2 249.314 1.186 20 0 BDADLO CO[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283965586 385842845 /nfs/dbraw/zinc/84/28/45/385842845.db2.gz LZASKEHXHFECDJ-SGUJLRQBSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000618874105 385853255 /nfs/dbraw/zinc/85/32/55/385853255.db2.gz KPIFOOVLGMVHAF-WCQYABFASA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H](C1CCC1)N(C)c1[nH+]cnc2c1cnn2C ZINC000337786757 385788846 /nfs/dbraw/zinc/78/88/46/385788846.db2.gz BVLSBGNWCURGLJ-SECBINFHSA-N 1 2 245.330 1.988 20 0 BDADLO CSCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000282868359 385792598 /nfs/dbraw/zinc/79/25/98/385792598.db2.gz VCKHOZCEQANBCY-UHFFFAOYSA-N 1 2 227.333 1.415 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000294711243 385886360 /nfs/dbraw/zinc/88/63/60/385886360.db2.gz FOIRNRWCBHJGDJ-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000294711243 385886363 /nfs/dbraw/zinc/88/63/63/385886363.db2.gz FOIRNRWCBHJGDJ-UWVGGRQHSA-N 1 2 237.303 1.094 20 0 BDADLO COCc1noc(C[N@H+]2CC=C(C)CC2)n1 ZINC000272220956 385886840 /nfs/dbraw/zinc/88/68/40/385886840.db2.gz FWNCNFOSAYYPDZ-UHFFFAOYSA-N 1 2 223.276 1.368 20 0 BDADLO COCc1noc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000272220956 385886843 /nfs/dbraw/zinc/88/68/43/385886843.db2.gz FWNCNFOSAYYPDZ-UHFFFAOYSA-N 1 2 223.276 1.368 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000285034352 385894868 /nfs/dbraw/zinc/89/48/68/385894868.db2.gz HWFISBXJYAWABB-UWVGGRQHSA-N 1 2 239.319 1.500 20 0 BDADLO Cc1nc(NC[C@@H]2CC2(C)C)nc(N)[nH+]1 ZINC000308858571 385899126 /nfs/dbraw/zinc/89/91/26/385899126.db2.gz JDYIKZXVEJQBHV-ZETCQYMHSA-N 1 2 207.281 1.220 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CC2(C)C)[nH+]1 ZINC000308858571 385899129 /nfs/dbraw/zinc/89/91/29/385899129.db2.gz JDYIKZXVEJQBHV-ZETCQYMHSA-N 1 2 207.281 1.220 20 0 BDADLO CSCc1cnc(C[N@H+](C)CCCO)s1 ZINC000294828466 385901134 /nfs/dbraw/zinc/90/11/34/385901134.db2.gz YEZMWYMAOQYLKC-UHFFFAOYSA-N 1 2 246.401 1.820 20 0 BDADLO CSCc1cnc(C[N@@H+](C)CCCO)s1 ZINC000294828466 385901137 /nfs/dbraw/zinc/90/11/37/385901137.db2.gz YEZMWYMAOQYLKC-UHFFFAOYSA-N 1 2 246.401 1.820 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294827810 385902389 /nfs/dbraw/zinc/90/23/89/385902389.db2.gz NEBWTHLDHIWCGB-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294827810 385902395 /nfs/dbraw/zinc/90/23/95/385902395.db2.gz NEBWTHLDHIWCGB-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CCc2nnc(C)[nH]2)no1 ZINC000285195037 385904798 /nfs/dbraw/zinc/90/47/98/385904798.db2.gz NVGHKRCPZGRTHY-MRVPVSSYSA-N 1 2 235.291 1.303 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1ccn(C)n1 ZINC000123706369 385905194 /nfs/dbraw/zinc/90/51/94/385905194.db2.gz NVBQKZGLWFLNNN-UHFFFAOYSA-N 1 2 219.292 1.810 20 0 BDADLO CSCC[C@@H](O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000294866187 385905288 /nfs/dbraw/zinc/90/52/88/385905288.db2.gz BNMGIOCTEGAGBL-SNVBAGLBSA-N 1 2 240.328 1.443 20 0 BDADLO CCCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338165191 385906539 /nfs/dbraw/zinc/90/65/39/385906539.db2.gz QLKBXPGFAWNUJL-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO CC[C@H](F)CSCC[NH+]1CCOCC1 ZINC000440579385 385910103 /nfs/dbraw/zinc/91/01/03/385910103.db2.gz UFKDKBRDBARVBZ-JTQLQIEISA-N 1 2 221.341 1.800 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000294893302 385910896 /nfs/dbraw/zinc/91/08/96/385910896.db2.gz DEBFLRCPWNOPRD-SECBINFHSA-N 1 2 245.754 1.666 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000294893302 385910902 /nfs/dbraw/zinc/91/09/02/385910902.db2.gz DEBFLRCPWNOPRD-SECBINFHSA-N 1 2 245.754 1.666 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@H]1C(F)F ZINC000338182557 385912464 /nfs/dbraw/zinc/91/24/64/385912464.db2.gz XGRJLERETUHAOB-NKWVEPMBSA-N 1 2 229.230 1.269 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000272593092 385914508 /nfs/dbraw/zinc/91/45/08/385914508.db2.gz WETOCZUWTNUHHE-NXEZZACHSA-N 1 2 223.320 1.719 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC=C(F)C1 ZINC000272586286 385915565 /nfs/dbraw/zinc/91/55/65/385915565.db2.gz WVAPTDQZWXIPSV-SNVBAGLBSA-N 1 2 228.311 1.801 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC=C(F)C1 ZINC000272586286 385915568 /nfs/dbraw/zinc/91/55/68/385915568.db2.gz WVAPTDQZWXIPSV-SNVBAGLBSA-N 1 2 228.311 1.801 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@@H]1CCCO1 ZINC000189086621 385924907 /nfs/dbraw/zinc/92/49/07/385924907.db2.gz JUOUBHNLCFAUOV-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000335036755 385926544 /nfs/dbraw/zinc/92/65/44/385926544.db2.gz DUMALZVYEYFZNX-TXEJJXNPSA-N 1 2 247.342 1.467 20 0 BDADLO CC(C)c1ccoc1C(=O)N1CC[NH+](C)CC1 ZINC000284359121 385863310 /nfs/dbraw/zinc/86/33/10/385863310.db2.gz OLESNSRBQPCXMJ-UHFFFAOYSA-N 1 2 236.315 1.791 20 0 BDADLO CC[N@H+](CCOC)Cc1cc(F)ncc1F ZINC000294542540 385865224 /nfs/dbraw/zinc/86/52/24/385865224.db2.gz IXMQMHWAWUUMMP-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO CC[N@@H+](CCOC)Cc1cc(F)ncc1F ZINC000294542540 385865228 /nfs/dbraw/zinc/86/52/28/385865228.db2.gz IXMQMHWAWUUMMP-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)Cc1ccsc1 ZINC000284431193 385869240 /nfs/dbraw/zinc/86/92/40/385869240.db2.gz RLFKIPATPJLOED-UHFFFAOYSA-N 1 2 233.358 1.225 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)Cc1ccsc1 ZINC000284431193 385869241 /nfs/dbraw/zinc/86/92/41/385869241.db2.gz RLFKIPATPJLOED-UHFFFAOYSA-N 1 2 233.358 1.225 20 0 BDADLO COC(=O)c1[nH]ccc1OCc1c[nH+]cn1C ZINC000284467065 385870951 /nfs/dbraw/zinc/87/09/51/385870951.db2.gz RBNIJJOPDVNPDR-UHFFFAOYSA-N 1 2 235.243 1.114 20 0 BDADLO CO[C@@H]1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000340191979 385873680 /nfs/dbraw/zinc/87/36/80/385873680.db2.gz KVFNCMDQSTXYMR-NXEZZACHSA-N 1 2 237.303 1.231 20 0 BDADLO CN(C[C@H]1CCC[C@H]1O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284548645 385874994 /nfs/dbraw/zinc/87/49/94/385874994.db2.gz XQTVDPCOTVLMRO-PLWSPRCSSA-N 1 2 249.314 1.042 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCSC(C)C)C1CC1 ZINC000336720735 385879541 /nfs/dbraw/zinc/87/95/41/385879541.db2.gz ZYGAHARKPUJCIA-JTQLQIEISA-N 1 2 231.361 1.669 20 0 BDADLO CC/C=C/CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000284690653 385883126 /nfs/dbraw/zinc/88/31/26/385883126.db2.gz AWCZLFVHVJUANA-OKWQPMOJSA-N 1 2 214.284 1.240 20 0 BDADLO CC/C=C/CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000284690653 385883131 /nfs/dbraw/zinc/88/31/31/385883131.db2.gz AWCZLFVHVJUANA-OKWQPMOJSA-N 1 2 214.284 1.240 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334231697 385976608 /nfs/dbraw/zinc/97/66/08/385976608.db2.gz LUBUJPCQKIDISR-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334231697 385976609 /nfs/dbraw/zinc/97/66/09/385976609.db2.gz LUBUJPCQKIDISR-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO Cc1nnsc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000647925908 385979004 /nfs/dbraw/zinc/97/90/04/385979004.db2.gz FAAOCRXUSVRBPK-VIFPVBQESA-N 1 2 249.343 1.737 20 0 BDADLO Cc1nnsc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000647925908 385979011 /nfs/dbraw/zinc/97/90/11/385979011.db2.gz FAAOCRXUSVRBPK-VIFPVBQESA-N 1 2 249.343 1.737 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000345093303 385995057 /nfs/dbraw/zinc/99/50/57/385995057.db2.gz ASOCTFNKFGKZOC-UHFFFAOYSA-N 1 2 224.304 1.580 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345093303 385995063 /nfs/dbraw/zinc/99/50/63/385995063.db2.gz ASOCTFNKFGKZOC-UHFFFAOYSA-N 1 2 224.304 1.580 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286012957 385985675 /nfs/dbraw/zinc/98/56/75/385985675.db2.gz GYCAGTVKGANGGI-NSHDSACASA-N 1 2 236.319 1.025 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286012957 385985679 /nfs/dbraw/zinc/98/56/79/385985679.db2.gz GYCAGTVKGANGGI-NSHDSACASA-N 1 2 236.319 1.025 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nn(C)cc1Cl ZINC000643253053 385985794 /nfs/dbraw/zinc/98/57/94/385985794.db2.gz GZKNPOGMHCSMMB-GMSGAONNSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nn(C)cc1Cl ZINC000643253053 385985801 /nfs/dbraw/zinc/98/58/01/385985801.db2.gz GZKNPOGMHCSMMB-GMSGAONNSA-N 1 2 229.711 1.029 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425411678 385988193 /nfs/dbraw/zinc/98/81/93/385988193.db2.gz ZDZKJAKZAZKQPD-UHFFFAOYSA-N 1 2 235.234 1.210 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425411678 385988197 /nfs/dbraw/zinc/98/81/97/385988197.db2.gz ZDZKJAKZAZKQPD-UHFFFAOYSA-N 1 2 235.234 1.210 20 0 BDADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccoc1 ZINC000345098543 385995371 /nfs/dbraw/zinc/99/53/71/385995371.db2.gz NPACOSGTUHRQSC-UHFFFAOYSA-N 1 2 224.304 1.626 20 0 BDADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccoc1 ZINC000345098543 385995377 /nfs/dbraw/zinc/99/53/77/385995377.db2.gz NPACOSGTUHRQSC-UHFFFAOYSA-N 1 2 224.304 1.626 20 0 BDADLO c1cn(CCCO[C@@H]2CCCCO2)c[nH+]1 ZINC000338273615 385939735 /nfs/dbraw/zinc/93/97/35/385939735.db2.gz HHDOUDJDEWXXEZ-LLVKDONJSA-N 1 2 210.277 1.816 20 0 BDADLO Cc1cnccc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000295009614 385939998 /nfs/dbraw/zinc/93/99/98/385939998.db2.gz ZEQBMZRICAZYOV-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000295009614 385940004 /nfs/dbraw/zinc/94/00/04/385940004.db2.gz ZEQBMZRICAZYOV-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000335047520 385943226 /nfs/dbraw/zinc/94/32/26/385943226.db2.gz VDIBUPIEJATGKP-PHDIDXHHSA-N 1 2 244.241 1.136 20 0 BDADLO CC/C(C)=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000295014125 385944384 /nfs/dbraw/zinc/94/43/84/385944384.db2.gz QCKBEYQDHCWLTI-VNKGSWCUSA-N 1 2 235.331 1.992 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000425398330 385949327 /nfs/dbraw/zinc/94/93/27/385949327.db2.gz CAOPATBBUDWYBT-WCQYABFASA-N 1 2 243.347 1.733 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](CCCO)C2CC2)n1 ZINC000643250645 385951418 /nfs/dbraw/zinc/95/14/18/385951418.db2.gz ZIEMDLJLEYQQEV-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](CCCO)C2CC2)n1 ZINC000643250645 385951424 /nfs/dbraw/zinc/95/14/24/385951424.db2.gz ZIEMDLJLEYQQEV-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000338302066 385953779 /nfs/dbraw/zinc/95/37/79/385953779.db2.gz AGVKHFDRWGWOAU-VXNVDRBHSA-N 1 2 227.333 1.628 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000338302066 385953781 /nfs/dbraw/zinc/95/37/81/385953781.db2.gz AGVKHFDRWGWOAU-VXNVDRBHSA-N 1 2 227.333 1.628 20 0 BDADLO COc1ccncc1C[N@H+](C(C)C)C1COC1 ZINC000295056649 385954706 /nfs/dbraw/zinc/95/47/06/385954706.db2.gz BAXXXVLNZMSWHK-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+](C(C)C)C1COC1 ZINC000295056649 385954712 /nfs/dbraw/zinc/95/47/12/385954712.db2.gz BAXXXVLNZMSWHK-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1ncc(Cl)s1 ZINC000308382485 385956644 /nfs/dbraw/zinc/95/66/44/385956644.db2.gz RHYBONREAHUPTF-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000308382485 385956651 /nfs/dbraw/zinc/95/66/51/385956651.db2.gz RHYBONREAHUPTF-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295065626 385957880 /nfs/dbraw/zinc/95/78/80/385957880.db2.gz CEBPOJFULBHOIO-GFCCVEGCSA-N 1 2 249.358 1.770 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295065626 385957883 /nfs/dbraw/zinc/95/78/83/385957883.db2.gz CEBPOJFULBHOIO-GFCCVEGCSA-N 1 2 249.358 1.770 20 0 BDADLO C[N@H+](CC(=O)N1CCCCC1)Cc1ccccn1 ZINC000295107316 385965898 /nfs/dbraw/zinc/96/58/98/385965898.db2.gz HERSOIPXDUOCMZ-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO C[N@@H+](CC(=O)N1CCCCC1)Cc1ccccn1 ZINC000295107316 385965906 /nfs/dbraw/zinc/96/59/06/385965906.db2.gz HERSOIPXDUOCMZ-UHFFFAOYSA-N 1 2 247.342 1.526 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000345060103 385966097 /nfs/dbraw/zinc/96/60/97/385966097.db2.gz PTTOPSXLSRITBS-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000342330843 385966910 /nfs/dbraw/zinc/96/69/10/385966910.db2.gz BDIALVXBVSQNPV-NEPJUHHUSA-N 1 2 249.358 1.950 20 0 BDADLO C[C@H](C[S@@](C)=O)Nc1cc[nH+]c2ccncc12 ZINC000273109953 385968160 /nfs/dbraw/zinc/96/81/60/385968160.db2.gz GFJARWDAKCAILL-VVVCHXIZSA-N 1 2 249.339 1.809 20 0 BDADLO CC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)COC1 ZINC000273104406 385968718 /nfs/dbraw/zinc/96/87/18/385968718.db2.gz VGOCNKRGANEKJD-JTQLQIEISA-N 1 2 249.314 1.152 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1cscn1)C1CC1 ZINC000425408064 385968890 /nfs/dbraw/zinc/96/88/90/385968890.db2.gz QYKXXMDUEGTVGO-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1cscn1)C1CC1 ZINC000425408064 385968897 /nfs/dbraw/zinc/96/88/97/385968897.db2.gz QYKXXMDUEGTVGO-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CCC[N@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425405665 385968995 /nfs/dbraw/zinc/96/89/95/385968995.db2.gz LRRRSFACTNSOBM-UHFFFAOYSA-N 1 2 235.234 1.212 20 0 BDADLO CCC[N@@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425405665 385969005 /nfs/dbraw/zinc/96/90/05/385969005.db2.gz LRRRSFACTNSOBM-UHFFFAOYSA-N 1 2 235.234 1.212 20 0 BDADLO C[N@H+](CC(=O)NC1CCCC1)Cc1ccccn1 ZINC000295108317 385969420 /nfs/dbraw/zinc/96/94/20/385969420.db2.gz HGQZPQXTNOTPNE-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO C[N@@H+](CC(=O)NC1CCCC1)Cc1ccccn1 ZINC000295108317 385969426 /nfs/dbraw/zinc/96/94/26/385969426.db2.gz HGQZPQXTNOTPNE-UHFFFAOYSA-N 1 2 247.342 1.572 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CC=CCC2)n1 ZINC000643251883 385972043 /nfs/dbraw/zinc/97/20/43/385972043.db2.gz QHINCBNXMRTJII-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CC=CCC2)n1 ZINC000643251883 385972048 /nfs/dbraw/zinc/97/20/48/385972048.db2.gz QHINCBNXMRTJII-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000273145958 385974721 /nfs/dbraw/zinc/97/47/21/385974721.db2.gz VNPVVEAFTXSSNE-LLVKDONJSA-N 1 2 243.310 1.840 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000295258327 386000395 /nfs/dbraw/zinc/00/03/95/386000395.db2.gz GSYBOOGUGQEINH-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000295258327 386000402 /nfs/dbraw/zinc/00/04/02/386000402.db2.gz GSYBOOGUGQEINH-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000295323658 386012187 /nfs/dbraw/zinc/01/21/87/386012187.db2.gz LMXIRCGKXXUTFZ-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1nocc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000295323658 386012195 /nfs/dbraw/zinc/01/21/95/386012195.db2.gz LMXIRCGKXXUTFZ-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1nc(N2CCC[C@@H](n3ccnn3)C2)cc[nH+]1 ZINC000644880634 386014841 /nfs/dbraw/zinc/01/48/41/386014841.db2.gz CWIBPBQQLUGPSG-LLVKDONJSA-N 1 2 244.302 1.218 20 0 BDADLO Cc1cc(C[N@@H+](C(C)C)C2COC2)ncn1 ZINC000295359958 386017934 /nfs/dbraw/zinc/01/79/34/386017934.db2.gz JDYZKLLNTJQVMF-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@H+](C(C)C)C2COC2)ncn1 ZINC000295359958 386017938 /nfs/dbraw/zinc/01/79/38/386017938.db2.gz JDYZKLLNTJQVMF-UHFFFAOYSA-N 1 2 221.304 1.394 20 0 BDADLO CCC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(N)=O ZINC000286302756 386019824 /nfs/dbraw/zinc/01/98/24/386019824.db2.gz HLUHPJFVHGCZSE-JTQLQIEISA-N 1 2 248.330 1.728 20 0 BDADLO O=C(CCCC1CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000643270306 386020129 /nfs/dbraw/zinc/02/01/29/386020129.db2.gz SCAJSHIVGQLHFS-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@H](O)C(F)(F)F ZINC000345191108 386056634 /nfs/dbraw/zinc/05/66/34/386056634.db2.gz ORLHYYFVEDVOEF-APPZFPTMSA-N 1 2 249.236 1.899 20 0 BDADLO CC(C)n1cc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000273705310 386024801 /nfs/dbraw/zinc/02/48/01/386024801.db2.gz FEFJVCBTPNHVJC-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1nccn1C ZINC000189549181 386025346 /nfs/dbraw/zinc/02/53/46/386025346.db2.gz QBWDVUOZCVJCLR-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cscn1 ZINC000336770777 386028356 /nfs/dbraw/zinc/02/83/56/386028356.db2.gz WZQNXJXPEFNHAG-UHFFFAOYSA-N 1 2 248.373 1.056 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000335063467 386032442 /nfs/dbraw/zinc/03/24/42/386032442.db2.gz KMPUEVYOSMBGTL-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC23CC3)cn1 ZINC000335063467 386032447 /nfs/dbraw/zinc/03/24/47/386032447.db2.gz KMPUEVYOSMBGTL-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1conc1C ZINC000295497582 386043136 /nfs/dbraw/zinc/04/31/36/386043136.db2.gz YDHLIVFWUYORDS-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1conc1C ZINC000295497582 386043144 /nfs/dbraw/zinc/04/31/44/386043144.db2.gz YDHLIVFWUYORDS-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO Cc1noc(C)c1C[N@H+](C1CC1)C1COC1 ZINC000295528321 386046317 /nfs/dbraw/zinc/04/63/17/386046317.db2.gz VEEQPSSECAJJNB-UHFFFAOYSA-N 1 2 222.288 1.655 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C1CC1)C1COC1 ZINC000295528321 386046320 /nfs/dbraw/zinc/04/63/20/386046320.db2.gz VEEQPSSECAJJNB-UHFFFAOYSA-N 1 2 222.288 1.655 20 0 BDADLO CC/C(C)=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000295527622 386047422 /nfs/dbraw/zinc/04/74/22/386047422.db2.gz GSUYETWERFSMFJ-UXBLZVDNSA-N 1 2 219.288 1.582 20 0 BDADLO CC(C)c1cc(C(=O)NCCc2[nH]cc[nH+]2)on1 ZINC000345184779 386054509 /nfs/dbraw/zinc/05/45/09/386054509.db2.gz ZBQZOFJCKGEFFY-UHFFFAOYSA-N 1 2 248.286 1.494 20 0 BDADLO COc1ccnc(C[N@H+](C(C)C)C2COC2)c1 ZINC000295581382 386055397 /nfs/dbraw/zinc/05/53/97/386055397.db2.gz ZOKPLNCSWIEXCD-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+](C(C)C)C2COC2)c1 ZINC000295581382 386055401 /nfs/dbraw/zinc/05/54/01/386055401.db2.gz ZOKPLNCSWIEXCD-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]c(CN(C(C)C)C2COC2)c1 ZINC000295581382 386055406 /nfs/dbraw/zinc/05/54/06/386055406.db2.gz ZOKPLNCSWIEXCD-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCCC1(C)C ZINC000274586916 386123507 /nfs/dbraw/zinc/12/35/07/386123507.db2.gz INAYMEZZHCHUGE-SNVBAGLBSA-N 1 2 235.331 1.863 20 0 BDADLO CCC[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000189865553 386106072 /nfs/dbraw/zinc/10/60/72/386106072.db2.gz DQDFMZYAHVWGNJ-MFKMUULPSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)C(C)C ZINC000308461417 386120846 /nfs/dbraw/zinc/12/08/46/386120846.db2.gz QZKUXOAIDZOJOK-SECBINFHSA-N 1 2 209.280 1.980 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)C(C)C ZINC000308461417 386120853 /nfs/dbraw/zinc/12/08/53/386120853.db2.gz QZKUXOAIDZOJOK-SECBINFHSA-N 1 2 209.280 1.980 20 0 BDADLO CC(C)COCC[N@H+](C)Cc1ncc[nH]1 ZINC000647929997 386120777 /nfs/dbraw/zinc/12/07/77/386120777.db2.gz LEMCKNCZZWEFSS-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO CC(C)COCC[N@@H+](C)Cc1ncc[nH]1 ZINC000647929997 386120781 /nfs/dbraw/zinc/12/07/81/386120781.db2.gz LEMCKNCZZWEFSS-UHFFFAOYSA-N 1 2 211.309 1.514 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccsc1 ZINC000345165600 386062404 /nfs/dbraw/zinc/06/24/04/386062404.db2.gz YZTLTWOXEFDTEZ-VIFPVBQESA-N 1 2 249.339 1.934 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)[C@H]1CCOC1 ZINC000425440168 386064851 /nfs/dbraw/zinc/06/48/51/386064851.db2.gz CYLDTNGXWCMTEQ-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)[C@H]1CCOC1 ZINC000425440168 386064856 /nfs/dbraw/zinc/06/48/56/386064856.db2.gz CYLDTNGXWCMTEQ-ZETCQYMHSA-N 1 2 247.245 1.618 20 0 BDADLO CO[C@H](C[N@@H+]1CCn2cnnc2[C@@H]1C)C1CC1 ZINC000425445221 386080433 /nfs/dbraw/zinc/08/04/33/386080433.db2.gz NPWMVFSEHIUTDG-GXSJLCMTSA-N 1 2 236.319 1.080 20 0 BDADLO CO[C@H](C[N@H+]1CCn2cnnc2[C@@H]1C)C1CC1 ZINC000425445221 386080437 /nfs/dbraw/zinc/08/04/37/386080437.db2.gz NPWMVFSEHIUTDG-GXSJLCMTSA-N 1 2 236.319 1.080 20 0 BDADLO Cc1nc(N2CC[C@@H](C(C)(C)C)C2)nc(N)[nH+]1 ZINC000310089815 386085206 /nfs/dbraw/zinc/08/52/06/386085206.db2.gz DFZUKCMKLWRALI-SECBINFHSA-N 1 2 235.335 1.635 20 0 BDADLO Cc1nc(N)nc(N2CC[C@@H](C(C)(C)C)C2)[nH+]1 ZINC000310089815 386085214 /nfs/dbraw/zinc/08/52/14/386085214.db2.gz DFZUKCMKLWRALI-SECBINFHSA-N 1 2 235.335 1.635 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334451076 386089149 /nfs/dbraw/zinc/08/91/49/386089149.db2.gz UQYJZZBKVSSKOM-SNVBAGLBSA-N 1 2 245.282 1.355 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CCC1CC1)C(=O)OC ZINC000336772749 386094904 /nfs/dbraw/zinc/09/49/04/386094904.db2.gz VPYZXKAOSZLMCB-MWLCHTKSSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000334457932 386097961 /nfs/dbraw/zinc/09/79/61/386097961.db2.gz JFFIGERATGLFBQ-GWCFXTLKSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@](C)(F)C1 ZINC000334457932 386097962 /nfs/dbraw/zinc/09/79/62/386097962.db2.gz JFFIGERATGLFBQ-GWCFXTLKSA-N 1 2 242.338 1.868 20 0 BDADLO Cc1cc(NCc2ccncn2)nc(C2CC2)[nH+]1 ZINC000346099680 386148553 /nfs/dbraw/zinc/14/85/53/386148553.db2.gz HBRJCSRJCUIOOQ-UHFFFAOYSA-N 1 2 241.298 1.486 20 0 BDADLO CCC[C@]1(NC(=O)c2c[nH+]c(C)[nH]2)CCOC1 ZINC000287826559 386151848 /nfs/dbraw/zinc/15/18/48/386151848.db2.gz LDXYETGPUFMQEQ-LBPRGKRZSA-N 1 2 237.303 1.407 20 0 BDADLO CCC1(C)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000643296464 386152252 /nfs/dbraw/zinc/15/22/52/386152252.db2.gz MCROIIXFXNTJHE-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CSCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000274804369 386152883 /nfs/dbraw/zinc/15/28/83/386152883.db2.gz NSZZYAXKWOEJDC-UHFFFAOYSA-N 1 2 241.360 1.981 20 0 BDADLO CO[C@@H](C[N@H+]1CC(=O)N[C@@H](C)C1)c1ccccc1 ZINC000296259044 386156439 /nfs/dbraw/zinc/15/64/39/386156439.db2.gz PRQWOLCPXIXVRY-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C[N@@H+]1CC(=O)N[C@@H](C)C1)c1ccccc1 ZINC000296259044 386156444 /nfs/dbraw/zinc/15/64/44/386156444.db2.gz PRQWOLCPXIXVRY-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@@H](CF)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000287984300 386158391 /nfs/dbraw/zinc/15/83/91/386158391.db2.gz HAJPVIZZLNMQIH-VIFPVBQESA-N 1 2 235.262 1.351 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCCc2ccccc2C1 ZINC000346179579 386159570 /nfs/dbraw/zinc/15/95/70/386159570.db2.gz XQFMZRINURKDNS-UHFFFAOYSA-N 1 2 243.314 1.159 20 0 BDADLO Cn1nnnc1C[N@H+]1CCCc2ccccc2C1 ZINC000346179579 386159579 /nfs/dbraw/zinc/15/95/79/386159579.db2.gz XQFMZRINURKDNS-UHFFFAOYSA-N 1 2 243.314 1.159 20 0 BDADLO CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000346150296 386168867 /nfs/dbraw/zinc/16/88/67/386168867.db2.gz NZZONSRJVOPPOP-UHFFFAOYSA-N 1 2 209.293 1.556 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)NCCF)C1CC1 ZINC000346161839 386170663 /nfs/dbraw/zinc/17/06/63/386170663.db2.gz NENZRIZIIXVNFM-SECBINFHSA-N 1 2 240.282 1.140 20 0 BDADLO COC(=O)C1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000275025257 386172297 /nfs/dbraw/zinc/17/22/97/386172297.db2.gz UPLOGVCXVRGHED-UHFFFAOYSA-N 1 2 247.298 1.719 20 0 BDADLO CCC[C@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288228067 386177737 /nfs/dbraw/zinc/17/77/37/386177737.db2.gz VGINBPSQHMEQOQ-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnccc1C ZINC000275152909 386186180 /nfs/dbraw/zinc/18/61/80/386186180.db2.gz YKRKBOUXMXBDJO-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnccc1C ZINC000275152909 386186182 /nfs/dbraw/zinc/18/61/82/386186182.db2.gz YKRKBOUXMXBDJO-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO CCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000287517378 386128383 /nfs/dbraw/zinc/12/83/83/386128383.db2.gz MMGYSCBGZFKGKH-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1sccc1F ZINC000334464235 386131293 /nfs/dbraw/zinc/13/12/93/386131293.db2.gz BJSVGHYFHRZCFX-UHFFFAOYSA-N 1 2 239.275 1.551 20 0 BDADLO CC[C@@H]1C[NH+](Cc2cnccn2)C[C@@H](CC)O1 ZINC000643294878 386131761 /nfs/dbraw/zinc/13/17/61/386131761.db2.gz GVPSQNQSVNZEPD-CHWSQXEVSA-N 1 2 235.331 1.866 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425463681 386133524 /nfs/dbraw/zinc/13/35/24/386133524.db2.gz WRICBSJZNRLBCJ-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000425463681 386133527 /nfs/dbraw/zinc/13/35/27/386133527.db2.gz WRICBSJZNRLBCJ-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO c1nn2ccccc2c1C[N@H+](C1CC1)C1COC1 ZINC000296089185 386134020 /nfs/dbraw/zinc/13/40/20/386134020.db2.gz RCRWUMIPFHHOAC-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO c1nn2ccccc2c1C[N@@H+](C1CC1)C1COC1 ZINC000296089185 386134023 /nfs/dbraw/zinc/13/40/23/386134023.db2.gz RCRWUMIPFHHOAC-UHFFFAOYSA-N 1 2 243.310 1.698 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)C[C@H](C)O ZINC000425464252 386136015 /nfs/dbraw/zinc/13/60/15/386136015.db2.gz ZFPXKERDALCBGH-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)C[C@H](C)O ZINC000425464252 386136018 /nfs/dbraw/zinc/13/60/18/386136018.db2.gz ZFPXKERDALCBGH-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000274655121 386137102 /nfs/dbraw/zinc/13/71/02/386137102.db2.gz FKAOVQAPSVOMND-RKDXNWHRSA-N 1 2 207.277 1.318 20 0 BDADLO CC[C@H](CSC)NC(=O)CCc1[nH]cc[nH+]1 ZINC000288455907 386201878 /nfs/dbraw/zinc/20/18/78/386201878.db2.gz INJXNUQLCBHIKK-SECBINFHSA-N 1 2 241.360 1.600 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)NCCF ZINC000282808082 386212655 /nfs/dbraw/zinc/21/26/55/386212655.db2.gz REEIXNYCLUIIKQ-YUMQZZPRSA-N 1 2 245.323 1.268 20 0 BDADLO C[N@H+](CCOC1CCC1)Cc1ccon1 ZINC000347064627 386212747 /nfs/dbraw/zinc/21/27/47/386212747.db2.gz ZIWHHNWYXDBMHL-UHFFFAOYSA-N 1 2 210.277 1.676 20 0 BDADLO C[N@@H+](CCOC1CCC1)Cc1ccon1 ZINC000347064627 386212754 /nfs/dbraw/zinc/21/27/54/386212754.db2.gz ZIWHHNWYXDBMHL-UHFFFAOYSA-N 1 2 210.277 1.676 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1nccs1 ZINC000282808076 386213049 /nfs/dbraw/zinc/21/30/49/386213049.db2.gz REEIXNYCLUIIKQ-JGVFFNPUSA-N 1 2 245.323 1.268 20 0 BDADLO CN(CCF)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000296955482 386214649 /nfs/dbraw/zinc/21/46/49/386214649.db2.gz CJOIRIXBIHSBCV-UHFFFAOYSA-N 1 2 236.250 1.768 20 0 BDADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000264180571 386214843 /nfs/dbraw/zinc/21/48/43/386214843.db2.gz MBRJGBHWWFKFPX-MRVPVSSYSA-N 1 2 222.292 1.018 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000190510520 386217496 /nfs/dbraw/zinc/21/74/96/386217496.db2.gz QABMQCRAOOVION-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2C)cc(C)[nH+]1 ZINC000643318571 386218363 /nfs/dbraw/zinc/21/83/63/386218363.db2.gz SKCMPNACRMAZMP-PRHODGIISA-N 1 2 218.300 1.971 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC=CCC1 ZINC000264231393 386220494 /nfs/dbraw/zinc/22/04/94/386220494.db2.gz VQGXLFQHDYYUFV-NSHDSACASA-N 1 2 248.330 1.576 20 0 BDADLO CCCCCC(=O)NCc1[nH+]ccn1C ZINC000264263878 386223637 /nfs/dbraw/zinc/22/36/37/386223637.db2.gz DNFGUYRGJPUMKQ-UHFFFAOYSA-N 1 2 209.293 1.617 20 0 BDADLO CCC1(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000297118732 386225001 /nfs/dbraw/zinc/22/50/01/386225001.db2.gz OWZHDONLSSUGIE-SNVBAGLBSA-N 1 2 236.319 1.513 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccoc1C ZINC000414381329 386226667 /nfs/dbraw/zinc/22/66/67/386226667.db2.gz LJOURJRIKQAYOE-UHFFFAOYSA-N 1 2 211.261 1.583 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccoc1C ZINC000414381329 386226671 /nfs/dbraw/zinc/22/66/71/386226671.db2.gz LJOURJRIKQAYOE-UHFFFAOYSA-N 1 2 211.261 1.583 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000414382657 386227201 /nfs/dbraw/zinc/22/72/01/386227201.db2.gz PKYDWDCXQWPKKS-UHFFFAOYSA-N 1 2 235.331 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000414382657 386227206 /nfs/dbraw/zinc/22/72/06/386227206.db2.gz PKYDWDCXQWPKKS-UHFFFAOYSA-N 1 2 235.331 1.650 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCc1c[nH+]c[nH]1 ZINC000416167877 386230992 /nfs/dbraw/zinc/23/09/92/386230992.db2.gz VBVTVWDLSVZKRP-JTQLQIEISA-N 1 2 225.292 1.087 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCc1c[nH]c[nH+]1 ZINC000416167877 386230996 /nfs/dbraw/zinc/23/09/96/386230996.db2.gz VBVTVWDLSVZKRP-JTQLQIEISA-N 1 2 225.292 1.087 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC2(CO)CC2)o1 ZINC000190019179 386231124 /nfs/dbraw/zinc/23/11/24/386231124.db2.gz BBYDYMAVZRJGCE-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC2(CO)CC2)o1 ZINC000190019179 386231129 /nfs/dbraw/zinc/23/11/29/386231129.db2.gz BBYDYMAVZRJGCE-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO Cc1ccn(C)c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000275746675 386235267 /nfs/dbraw/zinc/23/52/67/386235267.db2.gz COWXZVXVLALHHT-NSHDSACASA-N 1 2 246.314 1.349 20 0 BDADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C(C)C ZINC000275750081 386236180 /nfs/dbraw/zinc/23/61/80/386236180.db2.gz SIHITFIPDXUORM-LBPRGKRZSA-N 1 2 239.290 1.908 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)nc1 ZINC000339098713 386247537 /nfs/dbraw/zinc/24/75/37/386247537.db2.gz FNHICGYGUAKYMO-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)nc1 ZINC000339098713 386247543 /nfs/dbraw/zinc/24/75/43/386247543.db2.gz FNHICGYGUAKYMO-LLVKDONJSA-N 1 2 247.342 1.307 20 0 BDADLO COC(=O)C(C)(C)NCc1[nH+]ccn1C(C)C ZINC000264573361 386248323 /nfs/dbraw/zinc/24/83/23/386248323.db2.gz SRYRKTIRZNBXOH-UHFFFAOYSA-N 1 2 239.319 1.505 20 0 BDADLO CC[C@@H](NC(=O)C1CCC1)c1[nH]cc[nH+]1 ZINC000125344596 386248974 /nfs/dbraw/zinc/24/89/74/386248974.db2.gz JXLDLGMAIVOHPJ-SECBINFHSA-N 1 2 207.277 1.777 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000275887050 386250128 /nfs/dbraw/zinc/25/01/28/386250128.db2.gz RJLSVXJXPALGJZ-ZYHUDNBSSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H](C)O1 ZINC000275887050 386250139 /nfs/dbraw/zinc/25/01/39/386250139.db2.gz RJLSVXJXPALGJZ-ZYHUDNBSSA-N 1 2 240.303 1.219 20 0 BDADLO CN(Cc1ccon1)Cc1[nH+]ccn1C ZINC000336643681 386251887 /nfs/dbraw/zinc/25/18/87/386251887.db2.gz DGRVTDGEAVQGJB-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO COCC1=CC[N@@H+]([C@@H](C)c2nncn2C)CC1 ZINC000347192948 386257645 /nfs/dbraw/zinc/25/76/45/386257645.db2.gz IOQBVUKVPYWLAL-JTQLQIEISA-N 1 2 236.319 1.155 20 0 BDADLO COCC1=CC[N@H+]([C@@H](C)c2nncn2C)CC1 ZINC000347192948 386257652 /nfs/dbraw/zinc/25/76/52/386257652.db2.gz IOQBVUKVPYWLAL-JTQLQIEISA-N 1 2 236.319 1.155 20 0 BDADLO COCC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC000347192950 386257846 /nfs/dbraw/zinc/25/78/46/386257846.db2.gz IOQBVUKVPYWLAL-SNVBAGLBSA-N 1 2 236.319 1.155 20 0 BDADLO COCC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC000347192950 386257850 /nfs/dbraw/zinc/25/78/50/386257850.db2.gz IOQBVUKVPYWLAL-SNVBAGLBSA-N 1 2 236.319 1.155 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCCC[C@H]2C)[nH+]1 ZINC000408362312 386258948 /nfs/dbraw/zinc/25/89/48/386258948.db2.gz NIPFZCBIOCGJFA-KOLCDFICSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000408362312 386258949 /nfs/dbraw/zinc/25/89/49/386258949.db2.gz NIPFZCBIOCGJFA-KOLCDFICSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1cc(N2CCC[C@@H](c3nnc[nH]3)C2)nc[nH+]1 ZINC000408351441 386191701 /nfs/dbraw/zinc/19/17/01/386191701.db2.gz DYJBLGOGRADGQX-SNVBAGLBSA-N 1 2 244.302 1.287 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C[C@H]1C=CCCC1 ZINC000275221735 386193898 /nfs/dbraw/zinc/19/38/98/386193898.db2.gz DJROEHUHQWUFOC-NSHDSACASA-N 1 2 233.315 1.783 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCOC1 ZINC000288411484 386197031 /nfs/dbraw/zinc/19/70/31/386197031.db2.gz LOCBUHLNMRAIBX-UHFFFAOYSA-N 1 2 231.255 1.154 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)nn1 ZINC000414375991 386197534 /nfs/dbraw/zinc/19/75/34/386197534.db2.gz YREPMVRWGGWDKV-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC(C)(C)C2)nn1 ZINC000414375991 386197537 /nfs/dbraw/zinc/19/75/37/386197537.db2.gz YREPMVRWGGWDKV-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)nn1 ZINC000414376068 386197678 /nfs/dbraw/zinc/19/76/78/386197678.db2.gz BPOXRGVDJHTEIY-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)nn1 ZINC000414376068 386197679 /nfs/dbraw/zinc/19/76/79/386197679.db2.gz BPOXRGVDJHTEIY-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000288425417 386197953 /nfs/dbraw/zinc/19/79/53/386197953.db2.gz BHIHWWIDVVASAO-RISCZKNCSA-N 1 2 245.326 1.930 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)nc1 ZINC000339001281 386198738 /nfs/dbraw/zinc/19/87/38/386198738.db2.gz QKKRHLWZTZPBAK-ZDUSSCGKSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC)nc1 ZINC000339001281 386198742 /nfs/dbraw/zinc/19/87/42/386198742.db2.gz QKKRHLWZTZPBAK-ZDUSSCGKSA-N 1 2 247.342 1.354 20 0 BDADLO Cn1ncc(C[NH2+]C2(c3ccccc3)CC2)n1 ZINC000289306002 386282279 /nfs/dbraw/zinc/28/22/79/386282279.db2.gz DJIBNRPKUVLFDB-UHFFFAOYSA-N 1 2 228.299 1.594 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](OC)C2)cs1 ZINC000336664158 386284369 /nfs/dbraw/zinc/28/43/69/386284369.db2.gz DXEBMORWJQSCCI-JTQLQIEISA-N 1 2 242.344 1.510 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](OC)C2)cs1 ZINC000336664158 386284376 /nfs/dbraw/zinc/28/43/76/386284376.db2.gz DXEBMORWJQSCCI-JTQLQIEISA-N 1 2 242.344 1.510 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000289379443 386292848 /nfs/dbraw/zinc/29/28/48/386292848.db2.gz PIQFWXBUDJLOPP-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000289379443 386292855 /nfs/dbraw/zinc/29/28/55/386292855.db2.gz PIQFWXBUDJLOPP-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO CCC(=O)N1CC[N@H+](CCCCCF)C1 ZINC000425508989 386297638 /nfs/dbraw/zinc/29/76/38/386297638.db2.gz HSPVQFBJHUOPEA-UHFFFAOYSA-N 1 2 216.300 1.638 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCCCCF)C1 ZINC000425508989 386297641 /nfs/dbraw/zinc/29/76/41/386297641.db2.gz HSPVQFBJHUOPEA-UHFFFAOYSA-N 1 2 216.300 1.638 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335265526 386300791 /nfs/dbraw/zinc/30/07/91/386300791.db2.gz QFQAHPDVHFSWLE-ORMTXKICSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000335265526 386300795 /nfs/dbraw/zinc/30/07/95/386300795.db2.gz QFQAHPDVHFSWLE-ORMTXKICSA-N 1 2 241.356 1.929 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@@H]2C[C@H]2C)[nH+]cn1 ZINC000298166204 386303549 /nfs/dbraw/zinc/30/35/49/386303549.db2.gz FJVYNSNNGNCNBO-UTLUCORTSA-N 1 2 236.319 1.337 20 0 BDADLO C[C@H](O)CNc1cc(NC[C@@H]2C[C@H]2C)nc[nH+]1 ZINC000298166204 386303552 /nfs/dbraw/zinc/30/35/52/386303552.db2.gz FJVYNSNNGNCNBO-UTLUCORTSA-N 1 2 236.319 1.337 20 0 BDADLO Cc1ccncc1CCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000289433622 386303998 /nfs/dbraw/zinc/30/39/98/386303998.db2.gz VZJJQXFEDJQDBP-GFCCVEGCSA-N 1 2 247.342 1.143 20 0 BDADLO Cc1ccncc1CCC[N@H+]1CCNC(=O)[C@H]1C ZINC000289433622 386304003 /nfs/dbraw/zinc/30/40/03/386304003.db2.gz VZJJQXFEDJQDBP-GFCCVEGCSA-N 1 2 247.342 1.143 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC000265106333 386306997 /nfs/dbraw/zinc/30/69/97/386306997.db2.gz UYZOLBZAXSSFHY-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC000265106331 386308108 /nfs/dbraw/zinc/30/81/08/386308108.db2.gz UYZOLBZAXSSFHY-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CC(C)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347273491 386314214 /nfs/dbraw/zinc/31/42/14/386314214.db2.gz FWWVYHHARYCTFD-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO COc1ncccc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264712119 386264196 /nfs/dbraw/zinc/26/41/96/386264196.db2.gz DPGSQVSWZSRNSH-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO CC[C@H]1C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000339162522 386270139 /nfs/dbraw/zinc/27/01/39/386270139.db2.gz GZCZKDRPPYTUJO-GXSJLCMTSA-N 1 2 221.304 1.267 20 0 BDADLO C[C@@H](C(=O)N(C)CC(C)(C)C)[NH+]1CCOCC1 ZINC000339159384 386270539 /nfs/dbraw/zinc/27/05/39/386270539.db2.gz KJMUBRMJGZXUKE-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@@H]1C1CC1 ZINC000339169835 386275945 /nfs/dbraw/zinc/27/59/45/386275945.db2.gz PQWLZHWYRIXXHS-VXGBXAGGSA-N 1 2 233.315 1.267 20 0 BDADLO CCC1(O)CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000297806036 386279627 /nfs/dbraw/zinc/27/96/27/386279627.db2.gz XULDCSZCDJWPDR-UHFFFAOYSA-N 1 2 249.314 1.687 20 0 BDADLO CSC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000265439752 386339621 /nfs/dbraw/zinc/33/96/21/386339621.db2.gz JYQJMTBPNAEWEB-VIFPVBQESA-N 1 2 227.333 1.141 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccon1)c1[nH]cc[nH+]1 ZINC000276527535 386341536 /nfs/dbraw/zinc/34/15/36/386341536.db2.gz CQYWPIQQCXBDEN-VIFPVBQESA-N 1 2 234.259 1.525 20 0 BDADLO Cc1ccnc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000265497833 386345121 /nfs/dbraw/zinc/34/51/21/386345121.db2.gz HNALMZKEPMKNJE-SNVBAGLBSA-N 1 2 231.303 1.730 20 0 BDADLO COC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265501666 386345185 /nfs/dbraw/zinc/34/51/85/386345185.db2.gz XYGINLVKRGYABM-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1[nH]ccc1C)CC2 ZINC000366666805 386346927 /nfs/dbraw/zinc/34/69/27/386346927.db2.gz FSNMHSBFHNQYRP-UHFFFAOYSA-N 1 2 244.298 1.484 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cnn(C)n1 ZINC000289746538 386350759 /nfs/dbraw/zinc/35/07/59/386350759.db2.gz IOYMIFMNMAKLEE-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnn(C)n1 ZINC000289746538 386350762 /nfs/dbraw/zinc/35/07/62/386350762.db2.gz IOYMIFMNMAKLEE-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccon3)C2)c1 ZINC000289749024 386351008 /nfs/dbraw/zinc/35/10/08/386351008.db2.gz FHZLUNZVQGZCGU-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccon3)C2)c1 ZINC000289749024 386351012 /nfs/dbraw/zinc/35/10/12/386351012.db2.gz FHZLUNZVQGZCGU-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC[C@H](C)O)s1 ZINC000347313199 386352734 /nfs/dbraw/zinc/35/27/34/386352734.db2.gz QLBCYRYWXMKFIE-YUMQZZPRSA-N 1 2 229.349 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC[C@H](C)O)s1 ZINC000347313199 386352742 /nfs/dbraw/zinc/35/27/42/386352742.db2.gz QLBCYRYWXMKFIE-YUMQZZPRSA-N 1 2 229.349 1.610 20 0 BDADLO COC(C)(C)CC[N@H+](C)Cc1nnc[nH]1 ZINC000336689282 386353789 /nfs/dbraw/zinc/35/37/89/386353789.db2.gz AUTYTCZIAXHJPZ-UHFFFAOYSA-N 1 2 212.297 1.052 20 0 BDADLO COC(C)(C)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000336689282 386353791 /nfs/dbraw/zinc/35/37/91/386353791.db2.gz AUTYTCZIAXHJPZ-UHFFFAOYSA-N 1 2 212.297 1.052 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]ccn2C)nn1C ZINC000336689503 386355354 /nfs/dbraw/zinc/35/53/54/386355354.db2.gz HRFYBUKAWUIRHB-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CC1(C)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276624294 386355378 /nfs/dbraw/zinc/35/53/78/386355378.db2.gz RPBQDUXDKNJJGQ-SNAWJCMRSA-N 1 2 219.288 1.824 20 0 BDADLO Cc1nnc(NCc2cn3ccc(C)cc3[nH+]2)o1 ZINC000265626728 386355716 /nfs/dbraw/zinc/35/57/16/386355716.db2.gz RUWXFMSTAGVZMI-UHFFFAOYSA-N 1 2 243.270 1.946 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cnccn1)c1[nH]cc[nH+]1 ZINC000276624748 386356155 /nfs/dbraw/zinc/35/61/55/386356155.db2.gz OQFCLSLSCXBIHV-SNVBAGLBSA-N 1 2 245.286 1.327 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347319575 386359043 /nfs/dbraw/zinc/35/90/43/386359043.db2.gz HXVNVERCGRTFFG-MKBNYLNASA-N 1 2 247.404 1.644 20 0 BDADLO CCCCOCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347319575 386359046 /nfs/dbraw/zinc/35/90/46/386359046.db2.gz HXVNVERCGRTFFG-MKBNYLNASA-N 1 2 247.404 1.644 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H]2CCOC2)cs1 ZINC000336691881 386364093 /nfs/dbraw/zinc/36/40/93/386364093.db2.gz CNEQUAIBAVBIJP-SNVBAGLBSA-N 1 2 242.344 1.510 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H]2CCOC2)cs1 ZINC000336691881 386364095 /nfs/dbraw/zinc/36/40/95/386364095.db2.gz CNEQUAIBAVBIJP-SNVBAGLBSA-N 1 2 242.344 1.510 20 0 BDADLO CC(C)=CCCNC(=O)NCCn1cc[nH+]c1 ZINC000276703781 386364261 /nfs/dbraw/zinc/36/42/61/386364261.db2.gz PLPNLVJKUVFXBJ-UHFFFAOYSA-N 1 2 236.319 1.539 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000347369309 386367559 /nfs/dbraw/zinc/36/75/59/386367559.db2.gz VURGWCHBUZCLRZ-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000347369309 386367566 /nfs/dbraw/zinc/36/75/66/386367566.db2.gz VURGWCHBUZCLRZ-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347370431 386367956 /nfs/dbraw/zinc/36/79/56/386367956.db2.gz MHFOITSLBPHDPT-PWSUYJOCSA-N 1 2 247.310 1.125 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347370431 386367962 /nfs/dbraw/zinc/36/79/62/386367962.db2.gz MHFOITSLBPHDPT-PWSUYJOCSA-N 1 2 247.310 1.125 20 0 BDADLO Cc1csc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000647933596 386367989 /nfs/dbraw/zinc/36/79/89/386367989.db2.gz VEAGPGGZDKGBOI-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CC(C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265781615 386369498 /nfs/dbraw/zinc/36/94/98/386369498.db2.gz GTUDANNMDVTKBZ-NSHDSACASA-N 1 2 223.320 1.682 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)nn1C ZINC000336695121 386370421 /nfs/dbraw/zinc/37/04/21/386370421.db2.gz FREWAKCARXIODV-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)nn1C ZINC000336695121 386370426 /nfs/dbraw/zinc/37/04/26/386370426.db2.gz FREWAKCARXIODV-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cnn(C)n1 ZINC000289925457 386374041 /nfs/dbraw/zinc/37/40/41/386374041.db2.gz UYRCMQGNRZURSC-UHFFFAOYSA-N 1 2 249.318 1.445 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000289951193 386375416 /nfs/dbraw/zinc/37/54/16/386375416.db2.gz XXHZOKLPXSKZSD-GFCCVEGCSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000289951193 386375421 /nfs/dbraw/zinc/37/54/21/386375421.db2.gz XXHZOKLPXSKZSD-GFCCVEGCSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1nnc(C[N@H+]2[C@H](C)C[C@@H]2C)n1C1CC1 ZINC000334495326 386376693 /nfs/dbraw/zinc/37/66/93/386376693.db2.gz HNIJSWVXMAVMCO-DTORHVGOSA-N 1 2 220.320 1.904 20 0 BDADLO Cc1nnc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1C1CC1 ZINC000334495326 386376699 /nfs/dbraw/zinc/37/66/99/386376699.db2.gz HNIJSWVXMAVMCO-DTORHVGOSA-N 1 2 220.320 1.904 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000336775000 386379201 /nfs/dbraw/zinc/37/92/01/386379201.db2.gz XTJSLTAHPHFNSD-WDEREUQCSA-N 1 2 221.304 1.434 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1ccn(C)c1 ZINC000276838076 386380867 /nfs/dbraw/zinc/38/08/67/386380867.db2.gz SAAPOHMLWKAFAF-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1ccn(C)c1 ZINC000276838076 386380869 /nfs/dbraw/zinc/38/08/69/386380869.db2.gz SAAPOHMLWKAFAF-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO c1ccc([C@H]2C[N@H+](CC3OCCO3)CCO2)cc1 ZINC000265882652 386381301 /nfs/dbraw/zinc/38/13/01/386381301.db2.gz VDJGJHWYAJKIOM-CYBMUJFWSA-N 1 2 249.310 1.433 20 0 BDADLO c1ccc([C@H]2C[N@@H+](CC3OCCO3)CCO2)cc1 ZINC000265882652 386381304 /nfs/dbraw/zinc/38/13/04/386381304.db2.gz VDJGJHWYAJKIOM-CYBMUJFWSA-N 1 2 249.310 1.433 20 0 BDADLO Cc1nnc(NCc2ccc(N(C)C)[nH+]c2)s1 ZINC000265898935 386384398 /nfs/dbraw/zinc/38/43/98/386384398.db2.gz UFVLYUYUQBDXCH-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CCCCOCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000265360231 386330887 /nfs/dbraw/zinc/33/08/87/386330887.db2.gz AWQDAVYQYCLRPW-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](O)C[C@H]2C)cs1 ZINC000336680503 386333919 /nfs/dbraw/zinc/33/39/19/386333919.db2.gz QPTNCDIXTANKRR-PSASIEDQSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](O)C[C@H]2C)cs1 ZINC000336680503 386333922 /nfs/dbraw/zinc/33/39/22/386333922.db2.gz QPTNCDIXTANKRR-PSASIEDQSA-N 1 2 242.344 1.245 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccn1 ZINC000339269592 386334115 /nfs/dbraw/zinc/33/41/15/386334115.db2.gz FFLTZGNHXGUNOD-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO CC[C@H]1CCN1C(=O)NCc1[nH+]ccn1CC ZINC000298381277 386334420 /nfs/dbraw/zinc/33/44/20/386334420.db2.gz IXHJMHRIIVRSKI-JTQLQIEISA-N 1 2 236.319 1.597 20 0 BDADLO C[C@@H](O)CN(C)c1[nH+]c2cccc(F)c2n1C ZINC000334490397 386336803 /nfs/dbraw/zinc/33/68/03/386336803.db2.gz ISWIRXYMAGJFLP-MRVPVSSYSA-N 1 2 237.278 1.529 20 0 BDADLO C[C@H](O)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276522681 386337761 /nfs/dbraw/zinc/33/77/61/386337761.db2.gz CUXOBGMXLWSXCW-PBKGFPTLSA-N 1 2 249.314 1.042 20 0 BDADLO CO[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]cn1 ZINC000336774378 386339025 /nfs/dbraw/zinc/33/90/25/386339025.db2.gz WTTQGYRQKSOTRD-MNOVXSKESA-N 1 2 221.304 1.434 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000290449757 386436777 /nfs/dbraw/zinc/43/67/77/386436777.db2.gz ONQJDHWGVXFLBM-UWVGGRQHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000290449757 386436786 /nfs/dbraw/zinc/43/67/86/386436786.db2.gz ONQJDHWGVXFLBM-UWVGGRQHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1cnc(CN(C)Cc2[nH+]ccn2C)cn1 ZINC000336712214 386437213 /nfs/dbraw/zinc/43/72/13/386437213.db2.gz RQTLCQLUEQTRFD-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@@H]1CCN(C2CC2)C1=O ZINC000336718759 386438797 /nfs/dbraw/zinc/43/87/97/386438797.db2.gz XFUWRENIWRJSIO-GFCCVEGCSA-N 1 2 234.299 1.475 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@@H]1CCN(C2CC2)C1=O ZINC000336718759 386438801 /nfs/dbraw/zinc/43/88/01/386438801.db2.gz XFUWRENIWRJSIO-GFCCVEGCSA-N 1 2 234.299 1.475 20 0 BDADLO Cc1ccc(NC(=O)Cc2ccnn2C)c(C)[nH+]1 ZINC000277514586 386441611 /nfs/dbraw/zinc/44/16/11/386441611.db2.gz DXZAIKKEENZVBV-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO Cn1ccnc1CN1CCN(C)c2[nH+]cccc21 ZINC000336718151 386441858 /nfs/dbraw/zinc/44/18/58/386441858.db2.gz URMQWDDRRQYVHW-UHFFFAOYSA-N 1 2 243.314 1.272 20 0 BDADLO COC(=O)C[N@H+](Cc1cccc(OC)c1)C1CC1 ZINC000299339295 386442637 /nfs/dbraw/zinc/44/26/37/386442637.db2.gz AIIRDFFQWMIPPV-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccc(OC)c1)C1CC1 ZINC000299339295 386442642 /nfs/dbraw/zinc/44/26/42/386442642.db2.gz AIIRDFFQWMIPPV-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO Cc1ccnc(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000336716571 386443366 /nfs/dbraw/zinc/44/33/66/386443366.db2.gz VSGIGEILPRQGMB-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1ccnc(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000336716571 386443370 /nfs/dbraw/zinc/44/33/70/386443370.db2.gz VSGIGEILPRQGMB-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1ccnn1C ZINC000277586919 386448891 /nfs/dbraw/zinc/44/88/91/386448891.db2.gz LDMQACQMMOAGKN-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000237552334 386389957 /nfs/dbraw/zinc/38/99/57/386389957.db2.gz CYFUCNIXELDVBA-AWEZNQCLSA-N 1 2 245.326 1.411 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1nc(COC)no1 ZINC000347358931 386393700 /nfs/dbraw/zinc/39/37/00/386393700.db2.gz HEHKOILSRGSNLI-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1nc(COC)no1 ZINC000347358931 386393707 /nfs/dbraw/zinc/39/37/07/386393707.db2.gz HEHKOILSRGSNLI-SECBINFHSA-N 1 2 243.307 1.245 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCOC(C)C)n1C ZINC000336705269 386394621 /nfs/dbraw/zinc/39/46/21/386394621.db2.gz FAOPOLYYDKTZHS-UHFFFAOYSA-N 1 2 240.351 1.370 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCOC(C)C)n1C ZINC000336705269 386394626 /nfs/dbraw/zinc/39/46/26/386394626.db2.gz FAOPOLYYDKTZHS-UHFFFAOYSA-N 1 2 240.351 1.370 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000336705405 386394893 /nfs/dbraw/zinc/39/48/93/386394893.db2.gz QFQDDHHQWWWQJC-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000336705405 386394898 /nfs/dbraw/zinc/39/48/98/386394898.db2.gz QFQDDHHQWWWQJC-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336700791 386401933 /nfs/dbraw/zinc/40/19/33/386401933.db2.gz HDAYYYCTVOSLAT-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000336700791 386401935 /nfs/dbraw/zinc/40/19/35/386401935.db2.gz HDAYYYCTVOSLAT-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CC1(C)C[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000299038728 386404496 /nfs/dbraw/zinc/40/44/96/386404496.db2.gz DSNALIHDWKXBLP-SNVBAGLBSA-N 1 2 248.330 1.591 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CSC1(C)C ZINC000282884535 386412623 /nfs/dbraw/zinc/41/26/23/386412623.db2.gz SFXSLQLYNFQAAU-VIFPVBQESA-N 1 2 211.334 1.702 20 0 BDADLO COC[C@H](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000339432782 386423503 /nfs/dbraw/zinc/42/35/03/386423503.db2.gz IZAKIKLZJVRDAC-SNVBAGLBSA-N 1 2 239.319 1.051 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](C)[C@H]2CCCO2)no1 ZINC000183153818 386452264 /nfs/dbraw/zinc/45/22/64/386452264.db2.gz MKXKEKRSYSYDMR-VHSXEESVSA-N 1 2 239.319 1.679 20 0 BDADLO COC(=O)C[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000290363228 386426783 /nfs/dbraw/zinc/42/67/83/386426783.db2.gz QWRYJNBNAJPBLW-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO COC(=O)C[N@@H+](C)CC[C@H](O)c1ccccc1 ZINC000290363228 386426788 /nfs/dbraw/zinc/42/67/88/386426788.db2.gz QWRYJNBNAJPBLW-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1O ZINC000442669352 386427895 /nfs/dbraw/zinc/42/78/95/386427895.db2.gz GWYRROMXDSJTLN-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1O ZINC000442669352 386427900 /nfs/dbraw/zinc/42/79/00/386427900.db2.gz GWYRROMXDSJTLN-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO Cc1cnc(C[NH+]2CCC([C@H](C)O)CC2)nc1 ZINC000336717540 386435377 /nfs/dbraw/zinc/43/53/77/386435377.db2.gz WJFMHEHMNATODY-NSHDSACASA-N 1 2 235.331 1.378 20 0 BDADLO COc1cc(C[NH+]2CC(C)(O)C2)cc(OC)c1 ZINC000639254463 386469069 /nfs/dbraw/zinc/46/90/69/386469069.db2.gz VVLIYFMXZHTRPV-UHFFFAOYSA-N 1 2 237.299 1.270 20 0 BDADLO CN(CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC000299614755 386473459 /nfs/dbraw/zinc/47/34/59/386473459.db2.gz HWFCSKGCWSPJST-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO CCN(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000299634817 386474549 /nfs/dbraw/zinc/47/45/49/386474549.db2.gz TVNLSPHZQYZARV-UHFFFAOYSA-N 1 2 207.277 1.284 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000266871583 386475561 /nfs/dbraw/zinc/47/55/61/386475561.db2.gz XTVARFHZTYMXNA-MRVPVSSYSA-N 1 2 248.286 1.306 20 0 BDADLO COC(=O)c1occc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339562691 386475989 /nfs/dbraw/zinc/47/59/89/386475989.db2.gz HNWSYKWZGCMTTD-BDAKNGLRSA-N 1 2 223.272 1.906 20 0 BDADLO COC(=O)c1occc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339562691 386475996 /nfs/dbraw/zinc/47/59/96/386475996.db2.gz HNWSYKWZGCMTTD-BDAKNGLRSA-N 1 2 223.272 1.906 20 0 BDADLO Cc1cc(CN(C)C(=O)CCn2cc[nH+]c2)no1 ZINC000299636323 386476338 /nfs/dbraw/zinc/47/63/38/386476338.db2.gz UCYIIDWREVQZRH-UHFFFAOYSA-N 1 2 248.286 1.228 20 0 BDADLO COc1ncncc1C[NH+]1CC2(C1)CCCOC2 ZINC000648042451 386478094 /nfs/dbraw/zinc/47/80/94/386478094.db2.gz BEBVUGOWPPTJKV-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO NC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000335467772 386482592 /nfs/dbraw/zinc/48/25/92/386482592.db2.gz QALWBALWHKAEET-LLVKDONJSA-N 1 2 226.320 1.803 20 0 BDADLO NC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000335467772 386482599 /nfs/dbraw/zinc/48/25/99/386482599.db2.gz QALWBALWHKAEET-LLVKDONJSA-N 1 2 226.320 1.803 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)ccn1 ZINC000391210672 386483886 /nfs/dbraw/zinc/48/38/86/386483886.db2.gz CKXKNXYGRUUASO-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)C2=CCOCC2)[nH+]1 ZINC000519546459 386484553 /nfs/dbraw/zinc/48/45/53/386484553.db2.gz MNHFPCDTGPHINM-UHFFFAOYSA-N 1 2 249.314 1.416 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339580571 386484848 /nfs/dbraw/zinc/48/48/48/386484848.db2.gz IOMCCDQKJXRAFU-NXEZZACHSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339580571 386484854 /nfs/dbraw/zinc/48/48/54/386484854.db2.gz IOMCCDQKJXRAFU-NXEZZACHSA-N 1 2 208.309 1.528 20 0 BDADLO O=C(C(C1CC1)C1CC1)N1CCn2c[nH+]cc2C1 ZINC000290918516 386485727 /nfs/dbraw/zinc/48/57/27/386485727.db2.gz KATVSTJKWVUXTC-UHFFFAOYSA-N 1 2 245.326 1.662 20 0 BDADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(C)o1 ZINC000290941151 386489656 /nfs/dbraw/zinc/48/96/56/386489656.db2.gz OMNMOAYNUVDTAE-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO Cn1cc(N2CC[NH+](C/C=C/Cl)CC2)cn1 ZINC000267068467 386491919 /nfs/dbraw/zinc/49/19/19/386491919.db2.gz VDQISAUBEQRPSR-NSCUHMNNSA-N 1 2 240.738 1.295 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)on1 ZINC000335435111 386493517 /nfs/dbraw/zinc/49/35/17/386493517.db2.gz QFLJWRXPCPYHEX-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)on1 ZINC000335435111 386493520 /nfs/dbraw/zinc/49/35/20/386493520.db2.gz QFLJWRXPCPYHEX-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccn1)c1ccon1 ZINC000336766510 386499265 /nfs/dbraw/zinc/49/92/65/386499265.db2.gz SAYSCHYYXVTUQL-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO CC(C)=CC(=O)N1CCn2c[nH+]cc2C1 ZINC000291023941 386501763 /nfs/dbraw/zinc/50/17/63/386501763.db2.gz DRPYBRBZYOSTQD-UHFFFAOYSA-N 1 2 205.261 1.192 20 0 BDADLO FC(F)(F)CCc1noc(Cn2cc[nH+]c2)n1 ZINC000278247184 386503208 /nfs/dbraw/zinc/50/32/08/386503208.db2.gz YRUVTJLVWJIARD-UHFFFAOYSA-N 1 2 246.192 1.809 20 0 BDADLO CC(C)n1cc[nH+]c1CN(C)Cc1nncn1C ZINC000336792293 386503222 /nfs/dbraw/zinc/50/32/22/386503222.db2.gz RJGKYWIYFZAUMI-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO Cc1nnc(SCc2c[nH+]cn2C)s1 ZINC000267173574 386504474 /nfs/dbraw/zinc/50/44/74/386504474.db2.gz LQCGQKQBCPXXOQ-UHFFFAOYSA-N 1 2 226.330 1.872 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCC1CCC1 ZINC000267193898 386507542 /nfs/dbraw/zinc/50/75/42/386507542.db2.gz CLZMVPKUYRIERL-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1cncc(F)c1 ZINC000335444621 386509499 /nfs/dbraw/zinc/50/94/99/386509499.db2.gz ZEKNMYZAZIAPGI-NSHDSACASA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1cncc(F)c1 ZINC000335444621 386509507 /nfs/dbraw/zinc/50/95/07/386509507.db2.gz ZEKNMYZAZIAPGI-NSHDSACASA-N 1 2 242.319 1.130 20 0 BDADLO Cc1ccnc(C[N@H+](C)CCOCC2CC2)n1 ZINC000339664829 386513106 /nfs/dbraw/zinc/51/31/06/386513106.db2.gz HEMDAKFVHBZLRF-UHFFFAOYSA-N 1 2 235.331 1.643 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CCOCC2CC2)n1 ZINC000339664829 386513112 /nfs/dbraw/zinc/51/31/12/386513112.db2.gz HEMDAKFVHBZLRF-UHFFFAOYSA-N 1 2 235.331 1.643 20 0 BDADLO CCC1(CNc2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000278354586 386514118 /nfs/dbraw/zinc/51/41/18/386514118.db2.gz JXOLXVIRYCJITQ-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)n(C)n1 ZINC000335449455 386519130 /nfs/dbraw/zinc/51/91/30/386519130.db2.gz LXMMQRBWARYDAH-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)n(C)n1 ZINC000335449455 386519133 /nfs/dbraw/zinc/51/91/33/386519133.db2.gz LXMMQRBWARYDAH-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)n(C)n1 ZINC000335449243 386519702 /nfs/dbraw/zinc/51/97/02/386519702.db2.gz IWWVWXDOWWROPB-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)n(C)n1 ZINC000335449243 386519707 /nfs/dbraw/zinc/51/97/07/386519707.db2.gz IWWVWXDOWWROPB-CQSZACIVSA-N 1 2 249.358 1.729 20 0 BDADLO CSCC[N@H+](C)Cc1c(Cl)cnn1C ZINC000187318784 386522084 /nfs/dbraw/zinc/52/20/84/386522084.db2.gz AKLWSMNYKMRULW-UHFFFAOYSA-N 1 2 233.768 1.868 20 0 BDADLO CSCC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000187318784 386522093 /nfs/dbraw/zinc/52/20/93/386522093.db2.gz AKLWSMNYKMRULW-UHFFFAOYSA-N 1 2 233.768 1.868 20 0 BDADLO CCC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000267277286 386522897 /nfs/dbraw/zinc/52/28/97/386522897.db2.gz UTYRGEHMHUUTAB-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061589174 386523943 /nfs/dbraw/zinc/52/39/43/386523943.db2.gz CDDFEIJIXUFTMU-HTQZYQBOSA-N 1 2 203.307 1.033 20 0 BDADLO CO[C@@H](C)C[N@H+](Cc1csnn1)C(C)C ZINC000336720249 386455159 /nfs/dbraw/zinc/45/51/59/386455159.db2.gz ZQYATBKPQKQUAQ-VIFPVBQESA-N 1 2 229.349 1.783 20 0 BDADLO CO[C@@H](C)C[N@@H+](Cc1csnn1)C(C)C ZINC000336720249 386455167 /nfs/dbraw/zinc/45/51/67/386455167.db2.gz ZQYATBKPQKQUAQ-VIFPVBQESA-N 1 2 229.349 1.783 20 0 BDADLO COC[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000277659159 386456254 /nfs/dbraw/zinc/45/62/54/386456254.db2.gz OWSBQXSNUPOULH-UWVGGRQHSA-N 1 2 239.319 1.506 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000336721626 386457458 /nfs/dbraw/zinc/45/74/58/386457458.db2.gz ZOOCRGYGPBHIOJ-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000336721626 386457462 /nfs/dbraw/zinc/45/74/62/386457462.db2.gz ZOOCRGYGPBHIOJ-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cncs1 ZINC000290625176 386462425 /nfs/dbraw/zinc/46/24/25/386462425.db2.gz XNXQFCIXIGKDQZ-ZJUUUORDSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cncs1 ZINC000290625176 386462432 /nfs/dbraw/zinc/46/24/32/386462432.db2.gz XNXQFCIXIGKDQZ-ZJUUUORDSA-N 1 2 242.344 1.115 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CCCOC3)nn1C ZINC000414457390 386577574 /nfs/dbraw/zinc/57/75/74/386577574.db2.gz JGQRCSYPVXDWKC-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO C[C@@H]1CCC[C@@H](CNCC(F)(F)C[NH3+])C1 ZINC000414921616 386580011 /nfs/dbraw/zinc/58/00/11/386580011.db2.gz AVNYXWQSBCUWEB-NXEZZACHSA-N 1 2 220.307 1.996 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)c1ccccn1 ZINC000278765685 386580797 /nfs/dbraw/zinc/58/07/97/386580797.db2.gz WPFPOQGAWDAJSZ-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)c1ccccn1 ZINC000278765685 386580804 /nfs/dbraw/zinc/58/08/04/386580804.db2.gz WPFPOQGAWDAJSZ-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO CCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000244216124 386580928 /nfs/dbraw/zinc/58/09/28/386580928.db2.gz VXBWIPJQWFYZMB-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO CCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000244216124 386580936 /nfs/dbraw/zinc/58/09/36/386580936.db2.gz VXBWIPJQWFYZMB-UHFFFAOYSA-N 1 2 236.319 1.525 20 0 BDADLO CC(C)C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000267817903 386585588 /nfs/dbraw/zinc/58/55/88/386585588.db2.gz VXYGMEWCSQJIJJ-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO COCCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900600 533179172 /nfs/dbraw/zinc/17/91/72/533179172.db2.gz NYWDKUVZNMOFKM-PLNGDYQASA-N 1 2 237.303 1.354 20 0 BDADLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCO ZINC000267802184 386587986 /nfs/dbraw/zinc/58/79/86/386587986.db2.gz LFCNSXPCPAWLCE-ZDUSSCGKSA-N 1 2 249.310 1.141 20 0 BDADLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCO ZINC000267802184 386587994 /nfs/dbraw/zinc/58/79/94/386587994.db2.gz LFCNSXPCPAWLCE-ZDUSSCGKSA-N 1 2 249.310 1.141 20 0 BDADLO Cc1noc([C@@H]2CC[N@@H+](Cc3noc(C)n3)C2)n1 ZINC000329033768 386595071 /nfs/dbraw/zinc/59/50/71/386595071.db2.gz MCWAISGCAPALAU-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO Cc1noc([C@@H]2CC[N@H+](Cc3noc(C)n3)C2)n1 ZINC000329033768 386595076 /nfs/dbraw/zinc/59/50/76/386595076.db2.gz MCWAISGCAPALAU-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO Cc1cc(NC[C@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000336738826 386595762 /nfs/dbraw/zinc/59/57/62/386595762.db2.gz KPOIXTMKQARMQS-GXSJLCMTSA-N 1 2 221.304 1.291 20 0 BDADLO Cn1ncnc1C[NH2+]C1(c2ccccc2)CC1 ZINC000267361001 386533393 /nfs/dbraw/zinc/53/33/93/386533393.db2.gz IEJAOSWPCOPZIF-UHFFFAOYSA-N 1 2 228.299 1.594 20 0 BDADLO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ncccn1 ZINC000519717604 386536017 /nfs/dbraw/zinc/53/60/17/386536017.db2.gz VVJLAHOPEQPAMJ-LLVKDONJSA-N 1 2 243.314 1.377 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H](F)C1 ZINC000335457581 386536057 /nfs/dbraw/zinc/53/60/57/386536057.db2.gz HAJWTDFNFATYEJ-JTQLQIEISA-N 1 2 247.273 1.447 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cccc(C)c2)C1 ZINC000291385306 386538990 /nfs/dbraw/zinc/53/89/90/386538990.db2.gz BUNRCYCYBIWCBP-UHFFFAOYSA-N 1 2 218.300 1.315 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)CC2(CCC2)O1 ZINC000335460668 386540725 /nfs/dbraw/zinc/54/07/25/386540725.db2.gz BCMJRXLGYQLKTA-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)CC2(CCC2)O1 ZINC000335460668 386540728 /nfs/dbraw/zinc/54/07/28/386540728.db2.gz BCMJRXLGYQLKTA-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO CS[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000335423084 386596907 /nfs/dbraw/zinc/59/69/07/386596907.db2.gz TUSQQBAPKHHLLS-SECBINFHSA-N 1 2 209.318 1.727 20 0 BDADLO CC(C)[C@H](NC(=O)c1cn(C)cn1)c1[nH]cc[nH+]1 ZINC000278556229 386544730 /nfs/dbraw/zinc/54/47/30/386544730.db2.gz HATVDQSUWVHWLW-JTQLQIEISA-N 1 2 247.302 1.270 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC2(CCC2)O1 ZINC000335463708 386549040 /nfs/dbraw/zinc/54/90/40/386549040.db2.gz NNZJSTVXNRBDKS-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC2(CCC2)O1 ZINC000335463708 386549049 /nfs/dbraw/zinc/54/90/49/386549049.db2.gz NNZJSTVXNRBDKS-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO CC(C)(C)NC(=O)NCCCn1cc[nH+]c1 ZINC000123426224 386556439 /nfs/dbraw/zinc/55/64/39/386556439.db2.gz LEVLMWWBTRXXCN-UHFFFAOYSA-N 1 2 224.308 1.371 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1=CCCC1 ZINC000335402830 386558978 /nfs/dbraw/zinc/55/89/78/386558978.db2.gz PLFLIRIQIIORLC-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO CCc1cnc(C[NH2+]C2(CC(=O)OC)CC2)o1 ZINC000519822231 386562517 /nfs/dbraw/zinc/56/25/17/386562517.db2.gz MHYAAUXXBDUZGU-UHFFFAOYSA-N 1 2 238.287 1.422 20 0 BDADLO Cc1cc(C)n2c(C[N@@H+]3CC[C@H](F)C3)cnc2n1 ZINC000335406833 386565845 /nfs/dbraw/zinc/56/58/45/386565845.db2.gz PPGUMQSNOMEDAE-NSHDSACASA-N 1 2 248.305 1.890 20 0 BDADLO Cc1cc(C)n2c(C[N@H+]3CC[C@H](F)C3)cnc2n1 ZINC000335406833 386565852 /nfs/dbraw/zinc/56/58/52/386565852.db2.gz PPGUMQSNOMEDAE-NSHDSACASA-N 1 2 248.305 1.890 20 0 BDADLO O=S(=O)(CC1CC1)N1CCc2c[nH+]ccc21 ZINC000267630881 386567109 /nfs/dbraw/zinc/56/71/09/386567109.db2.gz NUJLFWOOIGARSE-UHFFFAOYSA-N 1 2 238.312 1.184 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000267654497 386569973 /nfs/dbraw/zinc/56/99/73/386569973.db2.gz YNELTWQZLOAPTF-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000267654497 386569978 /nfs/dbraw/zinc/56/99/78/386569978.db2.gz YNELTWQZLOAPTF-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000267654497 386569979 /nfs/dbraw/zinc/56/99/79/386569979.db2.gz YNELTWQZLOAPTF-NEPJUHHUSA-N 1 2 221.304 1.173 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343246694 386621091 /nfs/dbraw/zinc/62/10/91/386621091.db2.gz PDUOWCVFFNEFBX-MRVPVSSYSA-N 1 2 243.257 1.169 20 0 BDADLO CC(C)C[C@H](C)C[N@H+](C)Cc1nnc[nH]1 ZINC000337172951 386632178 /nfs/dbraw/zinc/63/21/78/386632178.db2.gz GVXDNFGSQKKEAC-JTQLQIEISA-N 1 2 210.325 1.919 20 0 BDADLO CC(C)C[C@H](C)C[N@@H+](C)Cc1nnc[nH]1 ZINC000337172951 386632183 /nfs/dbraw/zinc/63/21/83/386632183.db2.gz GVXDNFGSQKKEAC-JTQLQIEISA-N 1 2 210.325 1.919 20 0 BDADLO C[C@@H](CCO)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000279102835 386635005 /nfs/dbraw/zinc/63/50/05/386635005.db2.gz VKNZZWUVJFXRGG-JQWIXIFHSA-N 1 2 246.314 1.255 20 0 BDADLO CCc1cc(N)nc(SCCn2cccn2)[nH+]1 ZINC000279138927 386636606 /nfs/dbraw/zinc/63/66/06/386636606.db2.gz XVJFHFDWTHHPBC-UHFFFAOYSA-N 1 2 249.343 1.610 20 0 BDADLO Cn1cc([C@@H]2OCC[C@H]2[NH2+]CC(F)F)cn1 ZINC000644952530 386638155 /nfs/dbraw/zinc/63/81/55/386638155.db2.gz XRRCQRNOTDNRMZ-SCZZXKLOSA-N 1 2 231.246 1.105 20 0 BDADLO COC[C@](C)([NH2+]C[C@@H](C)CC(C)C)C(=O)OC ZINC000337180777 386639174 /nfs/dbraw/zinc/63/91/74/386639174.db2.gz MDNGFRBGRPWHKZ-AAEUAGOBSA-N 1 2 245.363 1.836 20 0 BDADLO COC(=O)c1cc(C[N@H+](C)CCF)oc1C ZINC000268306562 386639791 /nfs/dbraw/zinc/63/97/91/386639791.db2.gz OIJTTZCOKSFKFW-UHFFFAOYSA-N 1 2 229.251 1.776 20 0 BDADLO COC(=O)c1cc(C[N@@H+](C)CCF)oc1C ZINC000268306562 386639795 /nfs/dbraw/zinc/63/97/95/386639795.db2.gz OIJTTZCOKSFKFW-UHFFFAOYSA-N 1 2 229.251 1.776 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)on1 ZINC000268317930 386643639 /nfs/dbraw/zinc/64/36/39/386643639.db2.gz ZRYPAGZCIFCGQA-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)on1 ZINC000268317930 386643643 /nfs/dbraw/zinc/64/36/43/386643643.db2.gz ZRYPAGZCIFCGQA-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414470864 386646312 /nfs/dbraw/zinc/64/63/12/386646312.db2.gz NONZCOXLAJAPMN-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@@H](CF)C2)cn1 ZINC000414470864 386646316 /nfs/dbraw/zinc/64/63/16/386646316.db2.gz NONZCOXLAJAPMN-LBPRGKRZSA-N 1 2 241.310 1.463 20 0 BDADLO CCC(=O)N[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000644972059 386647355 /nfs/dbraw/zinc/64/73/55/386647355.db2.gz PXSRYRIINHKHOG-SNVBAGLBSA-N 1 2 249.314 1.552 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC23CC3)c2[nH+]ccn21 ZINC000644961842 386647705 /nfs/dbraw/zinc/64/77/05/386647705.db2.gz RUNTWPUODHRNDN-KXUCPTDWSA-N 1 2 246.314 1.741 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000335519942 386656317 /nfs/dbraw/zinc/65/63/17/386656317.db2.gz FRLSGGYRTJZVCJ-LLVKDONJSA-N 1 2 223.320 1.371 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOC[C@H](C)C1 ZINC000335519942 386656320 /nfs/dbraw/zinc/65/63/20/386656320.db2.gz FRLSGGYRTJZVCJ-LLVKDONJSA-N 1 2 223.320 1.371 20 0 BDADLO CC(C)(C)CCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000337203872 386651396 /nfs/dbraw/zinc/65/13/96/386651396.db2.gz IFFICOYMQCQOCO-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO CC(C)(C)CCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000337203872 386651402 /nfs/dbraw/zinc/65/14/02/386651402.db2.gz IFFICOYMQCQOCO-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO CC(C)(C)CCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000337203872 386651406 /nfs/dbraw/zinc/65/14/06/386651406.db2.gz IFFICOYMQCQOCO-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO CC(C)(C)CCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000337203872 386651408 /nfs/dbraw/zinc/65/14/08/386651408.db2.gz IFFICOYMQCQOCO-UHFFFAOYSA-N 1 2 238.335 1.626 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccn(C)n1 ZINC000644972852 386652551 /nfs/dbraw/zinc/65/25/51/386652551.db2.gz MSUPDHCCZDRPNM-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CC(C)c1nc(NCc2ccnn2C)cc[nH+]1 ZINC000301260789 386654468 /nfs/dbraw/zinc/65/44/68/386654468.db2.gz SHUHQNYVAOMXEA-UHFFFAOYSA-N 1 2 231.303 1.946 20 0 BDADLO CSCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335487109 386603501 /nfs/dbraw/zinc/60/35/01/386603501.db2.gz LLYVUTFPFBRHJH-QMMMGPOBSA-N 1 2 225.317 1.436 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)(C)C1 ZINC000278939730 386608974 /nfs/dbraw/zinc/60/89/74/386608974.db2.gz UMXAFFHZACBVJJ-UHFFFAOYSA-N 1 2 221.304 1.519 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335492016 386611804 /nfs/dbraw/zinc/61/18/04/386611804.db2.gz RLZUYISTNWGRNR-AAEUAGOBSA-N 1 2 247.342 1.702 20 0 BDADLO CN(C)c1noc(C[N@H+](C)[C@H]2CC2(C)C)n1 ZINC000337219803 386660972 /nfs/dbraw/zinc/66/09/72/386660972.db2.gz BNLOOCLSZSKEHH-QMMMGPOBSA-N 1 2 224.308 1.366 20 0 BDADLO CN(C)c1noc(C[N@@H+](C)[C@H]2CC2(C)C)n1 ZINC000337219803 386660980 /nfs/dbraw/zinc/66/09/80/386660980.db2.gz BNLOOCLSZSKEHH-QMMMGPOBSA-N 1 2 224.308 1.366 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CC[C@H]1SC)C(=O)OC ZINC000425330996 386662885 /nfs/dbraw/zinc/66/28/85/386662885.db2.gz BJTLQCVVPPHBNK-LPEHRKFASA-N 1 2 231.361 1.812 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000292403972 386663556 /nfs/dbraw/zinc/66/35/56/386663556.db2.gz ZAVJEWRVGIKEQE-BRAIEQGRSA-N 1 2 237.303 1.306 20 0 BDADLO CC[C@](C)(CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279336221 386667128 /nfs/dbraw/zinc/66/71/28/386667128.db2.gz HUDJYKVOYKTCJA-GFCCVEGCSA-N 1 2 239.319 1.010 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cnccc1C ZINC000279377594 386673700 /nfs/dbraw/zinc/67/37/00/386673700.db2.gz HPBZAVPUUIYVDP-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000520507295 386681928 /nfs/dbraw/zinc/68/19/28/386681928.db2.gz ACMBFHJLXWDTSM-QWRGUYRKSA-N 1 2 247.346 1.126 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]2C2CC2)nc(N(C)C)[nH+]1 ZINC000520507295 386681938 /nfs/dbraw/zinc/68/19/38/386681938.db2.gz ACMBFHJLXWDTSM-QWRGUYRKSA-N 1 2 247.346 1.126 20 0 BDADLO O=C([C@H]1CCCOC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329376209 386657568 /nfs/dbraw/zinc/65/75/68/386657568.db2.gz ODPGHFMOOKCOIP-QWRGUYRKSA-N 1 2 249.314 1.500 20 0 BDADLO CC[C@](C)(C[N@H+](CCO)CC(F)F)OC ZINC000639123085 386683879 /nfs/dbraw/zinc/68/38/79/386683879.db2.gz IWASUHYWOAARNY-SNVBAGLBSA-N 1 2 225.279 1.361 20 0 BDADLO CC[C@](C)(C[N@@H+](CCO)CC(F)F)OC ZINC000639123085 386683882 /nfs/dbraw/zinc/68/38/82/386683882.db2.gz IWASUHYWOAARNY-SNVBAGLBSA-N 1 2 225.279 1.361 20 0 BDADLO Cc1cc(C(=O)C[N@H+](CCO)C2CC2)c(C)[nH]1 ZINC000050158182 386686953 /nfs/dbraw/zinc/68/69/53/386686953.db2.gz DUFABQJWPHITGA-UHFFFAOYSA-N 1 2 236.315 1.271 20 0 BDADLO Cc1cc(C(=O)C[N@@H+](CCO)C2CC2)c(C)[nH]1 ZINC000050158182 386686957 /nfs/dbraw/zinc/68/69/57/386686957.db2.gz DUFABQJWPHITGA-UHFFFAOYSA-N 1 2 236.315 1.271 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000337273640 386687600 /nfs/dbraw/zinc/68/76/00/386687600.db2.gz CUPYCVITLTWXQS-UWVGGRQHSA-N 1 2 245.273 1.968 20 0 BDADLO CCOCC[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000357018940 386689223 /nfs/dbraw/zinc/68/92/23/386689223.db2.gz LAIWTKPFKDHHJY-UHFFFAOYSA-N 1 2 243.347 1.734 20 0 BDADLO CC(C)C(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000525882426 386691750 /nfs/dbraw/zinc/69/17/50/386691750.db2.gz NWWWUECJPPZRGD-UHFFFAOYSA-N 1 2 235.331 1.949 20 0 BDADLO c1nc(C[N@@H+]2CCOCC23CCCCC3)c[nH]1 ZINC000335471631 386691970 /nfs/dbraw/zinc/69/19/70/386691970.db2.gz WIYIKBVXWPHAQW-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO c1nc(C[N@H+]2CCOCC23CCCCC3)c[nH]1 ZINC000335471631 386691976 /nfs/dbraw/zinc/69/19/76/386691976.db2.gz WIYIKBVXWPHAQW-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO c1ncc(C[N@@H+]2CCOCC23CCCCC3)[nH]1 ZINC000335471631 386691986 /nfs/dbraw/zinc/69/19/86/386691986.db2.gz WIYIKBVXWPHAQW-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO c1ncc(C[N@H+]2CCOCC23CCCCC3)[nH]1 ZINC000335471631 386691991 /nfs/dbraw/zinc/69/19/91/386691991.db2.gz WIYIKBVXWPHAQW-UHFFFAOYSA-N 1 2 235.331 1.945 20 0 BDADLO Cc1cc(NC[C@]2(O)CCCC2(C)C)nc[nH+]1 ZINC000645045688 386696205 /nfs/dbraw/zinc/69/62/05/386696205.db2.gz LZCGVFJSKJZKJT-CYBMUJFWSA-N 1 2 235.331 1.560 20 0 BDADLO CCc1cc(NC[C@]2(O)CCCC2(C)C)nc[nH+]1 ZINC000645045715 386697096 /nfs/dbraw/zinc/69/70/96/386697096.db2.gz QSZDBEPZESBPFT-CQSZACIVSA-N 1 2 249.358 1.814 20 0 BDADLO Cc1cn[nH]c1C[NH2+]CCN1CCCC[C@H]1C ZINC000352841447 386697764 /nfs/dbraw/zinc/69/77/64/386697764.db2.gz RJWULLKROYIATF-GFCCVEGCSA-N 1 2 236.363 1.682 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@](C)(O)C(F)(F)F ZINC000330390766 386702436 /nfs/dbraw/zinc/70/24/36/386702436.db2.gz OSTMZELGIPBCGD-MRVPVSSYSA-N 1 2 237.225 1.155 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@](C)(O)C(F)(F)F ZINC000330390766 386702446 /nfs/dbraw/zinc/70/24/46/386702446.db2.gz OSTMZELGIPBCGD-MRVPVSSYSA-N 1 2 237.225 1.155 20 0 BDADLO Cc1cnc(NCCn2cc[nH+]c2)nc1 ZINC000063048750 386702893 /nfs/dbraw/zinc/70/28/93/386702893.db2.gz OXBIXWGXDJLNMJ-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000417794230 386735409 /nfs/dbraw/zinc/73/54/09/386735409.db2.gz OVUWDMITEALBAK-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000417794230 386735416 /nfs/dbraw/zinc/73/54/16/386735416.db2.gz OVUWDMITEALBAK-ZDUSSCGKSA-N 1 2 235.331 1.514 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H]1CCCSC1 ZINC000414496769 386738714 /nfs/dbraw/zinc/73/87/14/386738714.db2.gz ZLPLEXNPMGIJBF-WDEREUQCSA-N 1 2 243.372 1.813 20 0 BDADLO c1nc(N2CCCC2)cc(NCC2CC2)[nH+]1 ZINC000265470423 386713572 /nfs/dbraw/zinc/71/35/72/386713572.db2.gz ZXLIXYMGDHXDMK-UHFFFAOYSA-N 1 2 218.304 1.899 20 0 BDADLO c1nc(NCC2CC2)cc(N2CCCC2)[nH+]1 ZINC000265470423 386713581 /nfs/dbraw/zinc/71/35/81/386713581.db2.gz ZXLIXYMGDHXDMK-UHFFFAOYSA-N 1 2 218.304 1.899 20 0 BDADLO CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645097266 386715482 /nfs/dbraw/zinc/71/54/82/386715482.db2.gz XCJZJKRKGPUHLY-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO CC1(C)CCC[C@H]1NCC(F)(F)C[NH3+] ZINC000414928153 386716339 /nfs/dbraw/zinc/71/63/39/386716339.db2.gz LWXUPXPDSGGGRT-MRVPVSSYSA-N 1 2 206.280 1.749 20 0 BDADLO COC(=O)C[N@H+](Cc1cnn(C)c1C)C(C)C ZINC000268911400 386718526 /nfs/dbraw/zinc/71/85/26/386718526.db2.gz NPQHWIONXZTKQF-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO COC(=O)C[N@@H+](Cc1cnn(C)c1C)C(C)C ZINC000268911400 386718531 /nfs/dbraw/zinc/71/85/31/386718531.db2.gz NPQHWIONXZTKQF-UHFFFAOYSA-N 1 2 239.319 1.112 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cnn(C)c2)cnn1C ZINC000268915230 386721685 /nfs/dbraw/zinc/72/16/85/386721685.db2.gz UPCMAKOFJZQDTH-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cnn(C)c2)cnn1C ZINC000268915230 386721691 /nfs/dbraw/zinc/72/16/91/386721691.db2.gz UPCMAKOFJZQDTH-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)ccn1 ZINC000339866836 386722988 /nfs/dbraw/zinc/72/29/88/386722988.db2.gz NEJHSLARUQLRCK-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)ccn1 ZINC000339866836 386722992 /nfs/dbraw/zinc/72/29/92/386722992.db2.gz NEJHSLARUQLRCK-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO Cc1cn[nH]c1CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352848552 386725019 /nfs/dbraw/zinc/72/50/19/386725019.db2.gz WHUJENHLFGXQDH-ZWNOBZJWSA-N 1 2 234.347 1.290 20 0 BDADLO Cc1cn[nH]c1CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352848552 386725030 /nfs/dbraw/zinc/72/50/30/386725030.db2.gz WHUJENHLFGXQDH-ZWNOBZJWSA-N 1 2 234.347 1.290 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)on1 ZINC000268947734 386725223 /nfs/dbraw/zinc/72/52/23/386725223.db2.gz BRTOKNOLMHNRCW-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)on1 ZINC000268947734 386725228 /nfs/dbraw/zinc/72/52/28/386725228.db2.gz BRTOKNOLMHNRCW-VHSXEESVSA-N 1 2 210.277 1.592 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000292988667 386761757 /nfs/dbraw/zinc/76/17/57/386761757.db2.gz LWSNVFHDEDQPKH-IUCAKERBSA-N 1 2 221.304 1.585 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000292988667 386761764 /nfs/dbraw/zinc/76/17/64/386761764.db2.gz LWSNVFHDEDQPKH-IUCAKERBSA-N 1 2 221.304 1.585 20 0 BDADLO CN(C)c1ccc(NCc2cocn2)[nH+]c1 ZINC000192327094 386765171 /nfs/dbraw/zinc/76/51/71/386765171.db2.gz FUZGFUXGBSSLKX-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO CCCn1cc(C[N@H+](C)CC(N)=O)cn1 ZINC000330560205 386767643 /nfs/dbraw/zinc/76/76/43/386767643.db2.gz BDNOXJMICXPGPN-UHFFFAOYSA-N 1 2 210.281 1.260 20 0 BDADLO CCCn1cc(C[N@@H+](C)CC(N)=O)cn1 ZINC000330560205 386767650 /nfs/dbraw/zinc/76/76/50/386767650.db2.gz BDNOXJMICXPGPN-UHFFFAOYSA-N 1 2 210.281 1.260 20 0 BDADLO CSc1cc(C[NH2+]Cc2nccn2C)ccn1 ZINC000357361766 386767867 /nfs/dbraw/zinc/76/78/67/386767867.db2.gz YQQQOTXKCBLCDQ-UHFFFAOYSA-N 1 2 248.355 1.827 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC000357500535 386794562 /nfs/dbraw/zinc/79/45/62/386794562.db2.gz NMGPEWHPRAQRRU-OUAUKWLOSA-N 1 2 233.315 1.312 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1F ZINC000340782334 386770986 /nfs/dbraw/zinc/77/09/86/386770986.db2.gz NEFDQAXDBYWZMI-RKDXNWHRSA-N 1 2 225.267 1.349 20 0 BDADLO C1CC1c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329732722 386796314 /nfs/dbraw/zinc/79/63/14/386796314.db2.gz QJPMFFNYDFGCNH-WDEREUQCSA-N 1 2 249.314 1.873 20 0 BDADLO C1CC1c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329732722 386796322 /nfs/dbraw/zinc/79/63/22/386796322.db2.gz QJPMFFNYDFGCNH-WDEREUQCSA-N 1 2 249.314 1.873 20 0 BDADLO CN(CCO)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000269325437 386780312 /nfs/dbraw/zinc/78/03/12/386780312.db2.gz SNFPKTJUWLIIHB-UHFFFAOYSA-N 1 2 246.314 1.450 20 0 BDADLO Fc1ccc(NCc2ccn3cc[nH+]c3c2)nc1 ZINC000357430478 386782655 /nfs/dbraw/zinc/78/26/55/386782655.db2.gz BBPIFIHVMWJQJA-UHFFFAOYSA-N 1 2 242.257 1.902 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnnn2-c2ccccc2)[C@H]1C ZINC000293202228 386788342 /nfs/dbraw/zinc/78/83/42/386788342.db2.gz XTZFOIFKAFTQJQ-MNOVXSKESA-N 1 2 243.314 1.503 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)[C@H]1C ZINC000293202228 386788349 /nfs/dbraw/zinc/78/83/49/386788349.db2.gz XTZFOIFKAFTQJQ-MNOVXSKESA-N 1 2 243.314 1.503 20 0 BDADLO C[N@@H+](Cc1ccoc1)C[C@H]1CCS(=O)(=O)C1 ZINC000330615521 386819528 /nfs/dbraw/zinc/81/95/28/386819528.db2.gz UGDCDKQNILIJDG-LLVKDONJSA-N 1 2 243.328 1.146 20 0 BDADLO C[N@H+](Cc1ccoc1)C[C@H]1CCS(=O)(=O)C1 ZINC000330615521 386819534 /nfs/dbraw/zinc/81/95/34/386819534.db2.gz UGDCDKQNILIJDG-LLVKDONJSA-N 1 2 243.328 1.146 20 0 BDADLO Cn1cccc1CNc1cccc(CO)[nH+]1 ZINC000336672766 386820126 /nfs/dbraw/zinc/82/01/26/386820126.db2.gz HLJDCSOBVHSTDB-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340895741 386798289 /nfs/dbraw/zinc/79/82/89/386798289.db2.gz VOJDNHHFPYSYGV-ZDUSSCGKSA-N 1 2 242.363 1.356 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340895741 386798297 /nfs/dbraw/zinc/79/82/97/386798297.db2.gz VOJDNHHFPYSYGV-ZDUSSCGKSA-N 1 2 242.363 1.356 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)CCCO1 ZINC000329791037 386804817 /nfs/dbraw/zinc/80/48/17/386804817.db2.gz UGUKEMQNNLASSI-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)c2noc(C)n2)CCCO1 ZINC000329791037 386804822 /nfs/dbraw/zinc/80/48/22/386804822.db2.gz UGUKEMQNNLASSI-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CCc1ncc(C[N@@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000344865997 386806974 /nfs/dbraw/zinc/80/69/74/386806974.db2.gz MXZPNZFPZCNVFD-BDAKNGLRSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1ncc(C[N@H+]2C[C@H](F)C[C@H]2CO)s1 ZINC000344865997 386806977 /nfs/dbraw/zinc/80/69/77/386806977.db2.gz MXZPNZFPZCNVFD-BDAKNGLRSA-N 1 2 244.335 1.610 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000340959544 386808259 /nfs/dbraw/zinc/80/82/59/386808259.db2.gz QPDMZQACAWCFSK-NEPJUHHUSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000249263596 386824498 /nfs/dbraw/zinc/82/44/98/386824498.db2.gz HOJKTGIQLHIUCV-GRYCIOLGSA-N 1 2 235.331 1.824 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H](C)CCCCO ZINC000398469558 386829385 /nfs/dbraw/zinc/82/93/85/386829385.db2.gz OQURTMBWAQFLHL-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H](C)CCCCO ZINC000398469558 386829390 /nfs/dbraw/zinc/82/93/90/386829390.db2.gz OQURTMBWAQFLHL-QMMMGPOBSA-N 1 2 240.307 1.030 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccc(O)c2)n1C ZINC000341054581 386831728 /nfs/dbraw/zinc/83/17/28/386831728.db2.gz WAGZDTSZCWUBDK-UHFFFAOYSA-N 1 2 231.299 1.724 20 0 BDADLO Cc1c[nH+]c(CNCc2cccc(O)c2)n1C ZINC000341054581 386831733 /nfs/dbraw/zinc/83/17/33/386831733.db2.gz WAGZDTSZCWUBDK-UHFFFAOYSA-N 1 2 231.299 1.724 20 0 BDADLO Cc1c[nH+]c(CNCc2c(C)noc2C)n1C ZINC000341056501 386832202 /nfs/dbraw/zinc/83/22/02/386832202.db2.gz ZBTIZHKIRJGSRA-UHFFFAOYSA-N 1 2 234.303 1.623 20 0 BDADLO Cc1cnc(C[NH2+]Cc2c(C)noc2C)n1C ZINC000341056501 386832205 /nfs/dbraw/zinc/83/22/05/386832205.db2.gz ZBTIZHKIRJGSRA-UHFFFAOYSA-N 1 2 234.303 1.623 20 0 BDADLO C[N@H+](CCF)Cc1cccc2c1OCO2 ZINC000293532564 386833992 /nfs/dbraw/zinc/83/39/92/386833992.db2.gz BYERGIIYNBEIEF-UHFFFAOYSA-N 1 2 211.236 1.817 20 0 BDADLO C[N@@H+](CCF)Cc1cccc2c1OCO2 ZINC000293532564 386833995 /nfs/dbraw/zinc/83/39/95/386833995.db2.gz BYERGIIYNBEIEF-UHFFFAOYSA-N 1 2 211.236 1.817 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000293562742 386841178 /nfs/dbraw/zinc/84/11/78/386841178.db2.gz MHKYFKNTHFGFBU-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000293562742 386841185 /nfs/dbraw/zinc/84/11/85/386841185.db2.gz MHKYFKNTHFGFBU-JTQLQIEISA-N 1 2 226.707 1.956 20 0 BDADLO NCC(F)(F)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414937109 386842006 /nfs/dbraw/zinc/84/20/06/386842006.db2.gz WIYRISLMZNHICS-IVZWLZJFSA-N 1 2 246.301 1.128 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)co1 ZINC000335710057 386843987 /nfs/dbraw/zinc/84/39/87/386843987.db2.gz AOCFBUVPHSWBPO-UHFFFAOYSA-N 1 2 218.212 1.363 20 0 BDADLO COC1(C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)CCC1 ZINC000331373076 386845263 /nfs/dbraw/zinc/84/52/63/386845263.db2.gz CAOSSHKEYWXAKR-BDAKNGLRSA-N 1 2 230.283 1.503 20 0 BDADLO COC1(C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)CCC1 ZINC000331373076 386845270 /nfs/dbraw/zinc/84/52/70/386845270.db2.gz CAOSSHKEYWXAKR-BDAKNGLRSA-N 1 2 230.283 1.503 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nccn1C(C)C ZINC000293619285 386849129 /nfs/dbraw/zinc/84/91/29/386849129.db2.gz QHABUXGQCCLBCH-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nccn1C(C)C ZINC000293619285 386849135 /nfs/dbraw/zinc/84/91/35/386849135.db2.gz QHABUXGQCCLBCH-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CC[C@@H]1C[NH+]([C@H](C)C(=O)OC)C[C@@H](CC)O1 ZINC000398594858 386849521 /nfs/dbraw/zinc/84/95/21/386849521.db2.gz BPHNONUUSHXYIM-GMTAPVOTSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H](CNc1[nH+]c(C)nc2[nH]ccc21)OC ZINC000357824426 386850603 /nfs/dbraw/zinc/85/06/03/386850603.db2.gz HRWORYWQERLRPE-VIFPVBQESA-N 1 2 234.303 1.525 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccncc1 ZINC000608377813 386857667 /nfs/dbraw/zinc/85/76/67/386857667.db2.gz CVTWRDKTVVPJFZ-VIFPVBQESA-N 1 2 244.302 1.254 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000418005975 386861832 /nfs/dbraw/zinc/86/18/32/386861832.db2.gz BIHGWPAQAVRUTQ-SRVKXCTJSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000418005975 386861838 /nfs/dbraw/zinc/86/18/38/386861838.db2.gz BIHGWPAQAVRUTQ-SRVKXCTJSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000418005975 386861839 /nfs/dbraw/zinc/86/18/39/386861839.db2.gz BIHGWPAQAVRUTQ-SRVKXCTJSA-N 1 2 237.347 1.901 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+]CC(F)(F)CO ZINC000425346854 386861943 /nfs/dbraw/zinc/86/19/43/386861943.db2.gz WYVDJQPAHFRDLD-NKWVEPMBSA-N 1 2 211.277 1.098 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc2c1CNC2=O ZINC000335744455 386862343 /nfs/dbraw/zinc/86/23/43/386862343.db2.gz WOMUWJYOBGDEDW-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO Cn1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000334829131 386865006 /nfs/dbraw/zinc/86/50/06/386865006.db2.gz OTYDISWRXXURQW-NSHDSACASA-N 1 2 244.298 1.726 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425349448 386865195 /nfs/dbraw/zinc/86/51/95/386865195.db2.gz KLRNPTQMDBOOMU-LBPRGKRZSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425349448 386865200 /nfs/dbraw/zinc/86/52/00/386865200.db2.gz KLRNPTQMDBOOMU-LBPRGKRZSA-N 1 2 246.318 1.147 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C=CCCC1 ZINC000341244214 386865789 /nfs/dbraw/zinc/86/57/89/386865789.db2.gz WOVRCDPCPXUPEB-NWDGAFQWSA-N 1 2 248.330 1.680 20 0 BDADLO FC[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000334831385 386868663 /nfs/dbraw/zinc/86/86/63/386868663.db2.gz XWLFVWQMCLLUDY-LBPRGKRZSA-N 1 2 249.289 1.505 20 0 BDADLO Cc1noc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)n1 ZINC000331561763 386869241 /nfs/dbraw/zinc/86/92/41/386869241.db2.gz COOLCGWXCIXDBQ-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1noc(C[N@H+]2CCCO[C@@H](C(C)C)C2)n1 ZINC000331561763 386869245 /nfs/dbraw/zinc/86/92/45/386869245.db2.gz COOLCGWXCIXDBQ-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CCc1cc(NCc2[nH+]cc(C)n2C)n(C)n1 ZINC000341259510 386870817 /nfs/dbraw/zinc/87/08/17/386870817.db2.gz MTKKWELIQDEHBT-UHFFFAOYSA-N 1 2 233.319 1.637 20 0 BDADLO CS[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000357950730 386870786 /nfs/dbraw/zinc/87/07/86/386870786.db2.gz KTKZCTYHTGTWLD-SSDOTTSWSA-N 1 2 238.316 1.818 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1nc(C(=O)OC)co1 ZINC000331572138 386871786 /nfs/dbraw/zinc/87/17/86/386871786.db2.gz RUCHNPUNDJDONO-QMMMGPOBSA-N 1 2 224.260 1.446 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1nc(C(=O)OC)co1 ZINC000331572138 386871789 /nfs/dbraw/zinc/87/17/89/386871789.db2.gz RUCHNPUNDJDONO-QMMMGPOBSA-N 1 2 224.260 1.446 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000051888053 386872004 /nfs/dbraw/zinc/87/20/04/386872004.db2.gz IOCSJRKPZJEOGY-SNVBAGLBSA-N 1 2 239.319 1.082 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000051888053 386872009 /nfs/dbraw/zinc/87/20/09/386872009.db2.gz IOCSJRKPZJEOGY-SNVBAGLBSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@](C)(F)C2)cn1 ZINC000334835929 386876381 /nfs/dbraw/zinc/87/63/81/386876381.db2.gz IZSFWLYKPUQPID-LBPRGKRZSA-N 1 2 223.295 1.973 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@](C)(F)C2)cn1 ZINC000334835929 386876386 /nfs/dbraw/zinc/87/63/86/386876386.db2.gz IZSFWLYKPUQPID-LBPRGKRZSA-N 1 2 223.295 1.973 20 0 BDADLO Cc1c[nH+]c(CNc2ccccc2CO)n1C ZINC000341281754 386877722 /nfs/dbraw/zinc/87/77/22/386877722.db2.gz MKVNMMNOTNQSLN-UHFFFAOYSA-N 1 2 231.299 1.833 20 0 BDADLO CCOCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301804476 386878978 /nfs/dbraw/zinc/87/89/78/386878978.db2.gz XHWQGWYFRXDUDB-UHFFFAOYSA-N 1 2 232.287 1.660 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc[nH]2)[C@H]1[C@@H]1CCCO1 ZINC000334839559 386882105 /nfs/dbraw/zinc/88/21/05/386882105.db2.gz KCHLKQVENPQMTH-JQWIXIFHSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)[C@H]1[C@@H]1CCCO1 ZINC000334839559 386882110 /nfs/dbraw/zinc/88/21/10/386882110.db2.gz KCHLKQVENPQMTH-JQWIXIFHSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)CN(Cc2[nH]cc[nH+]2)[C@H]1[C@@H]1CCCO1 ZINC000334839559 386882117 /nfs/dbraw/zinc/88/21/17/386882117.db2.gz KCHLKQVENPQMTH-JQWIXIFHSA-N 1 2 235.331 1.799 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331697292 386882927 /nfs/dbraw/zinc/88/29/27/386882927.db2.gz YOSMOHKAKQVEOS-JTQLQIEISA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)CC2)[nH]1 ZINC000331697292 386882929 /nfs/dbraw/zinc/88/29/29/386882929.db2.gz YOSMOHKAKQVEOS-JTQLQIEISA-N 1 2 238.335 1.275 20 0 BDADLO CSC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000330737054 386888108 /nfs/dbraw/zinc/88/81/08/386888108.db2.gz NPOTVMHSYCJDRI-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CSC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000330737054 386888113 /nfs/dbraw/zinc/88/81/13/386888113.db2.gz NPOTVMHSYCJDRI-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CC(C)c1nc(C[NH2+][C@](C)(CO)C(C)C)no1 ZINC000352887321 386889587 /nfs/dbraw/zinc/88/95/87/386889587.db2.gz XGZIJDYVNVRYGZ-GFCCVEGCSA-N 1 2 241.335 1.690 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](CC(N)=O)C2)cc[nH+]1 ZINC000367927482 386919038 /nfs/dbraw/zinc/91/90/38/386919038.db2.gz OTOZEGPRAWEUQV-JTQLQIEISA-N 1 2 248.330 1.302 20 0 BDADLO Cc1nc(N2CC[C@H]([C@@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000302008854 386895740 /nfs/dbraw/zinc/89/57/40/386895740.db2.gz BNHIXHXAZMHVNC-PWSUYJOCSA-N 1 2 235.331 1.609 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)nc(C)n1 ZINC000330819388 386895746 /nfs/dbraw/zinc/89/57/46/386895746.db2.gz DEOHZYVJQYHJMQ-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1c[nH+]c(CNCc2ncccc2O)n1C ZINC000341388912 386899354 /nfs/dbraw/zinc/89/93/54/386899354.db2.gz QVRMBGLIYZSNMO-UHFFFAOYSA-N 1 2 232.287 1.119 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000334851378 386901010 /nfs/dbraw/zinc/90/10/10/386901010.db2.gz BFNBCAYMVRFLTG-JTQLQIEISA-N 1 2 209.268 1.583 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000334851378 386901027 /nfs/dbraw/zinc/90/10/27/386901027.db2.gz BFNBCAYMVRFLTG-JTQLQIEISA-N 1 2 209.268 1.583 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000334851772 386902886 /nfs/dbraw/zinc/90/28/86/386902886.db2.gz ITJZPQHCNODBKJ-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000334851772 386902889 /nfs/dbraw/zinc/90/28/89/386902889.db2.gz ITJZPQHCNODBKJ-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccnc1 ZINC000331801026 386909184 /nfs/dbraw/zinc/90/91/84/386909184.db2.gz JMEALVUUTRRYLF-JQWIXIFHSA-N 1 2 243.314 1.859 20 0 BDADLO CC(C)Cc1nsc(N2CC[NH+](C)CC2)n1 ZINC000302255091 386920525 /nfs/dbraw/zinc/92/05/25/386920525.db2.gz YJWDSAAOICEAHP-UHFFFAOYSA-N 1 2 240.376 1.488 20 0 BDADLO COC1(C)C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000331916570 386927040 /nfs/dbraw/zinc/92/70/40/386927040.db2.gz BSCRPTXSYIAJCG-UHFFFAOYSA-N 1 2 234.299 1.791 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCOC1 ZINC000528383899 386929334 /nfs/dbraw/zinc/92/93/34/386929334.db2.gz XDIVWCBSZWLXJF-SECBINFHSA-N 1 2 239.344 1.636 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)s1)[C@@H]1CCOC1 ZINC000528383899 386929340 /nfs/dbraw/zinc/92/93/40/386929340.db2.gz XDIVWCBSZWLXJF-SECBINFHSA-N 1 2 239.344 1.636 20 0 BDADLO Nc1nc(N[C@H]2CCC[C@@H]2O)[nH+]c2ccccc12 ZINC000302665305 386929660 /nfs/dbraw/zinc/92/96/60/386929660.db2.gz MLFOQROIRNUINP-QWRGUYRKSA-N 1 2 244.298 1.537 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000336762608 386930048 /nfs/dbraw/zinc/93/00/48/386930048.db2.gz NZTORQZRKANQJZ-GUBZILKMSA-N 1 2 231.361 1.668 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000334873441 386934744 /nfs/dbraw/zinc/93/47/44/386934744.db2.gz RKPUKIOVFJBOMY-JTQLQIEISA-N 1 2 235.331 1.863 20 0 BDADLO c1c[nH+]c(CN2CCO[C@H](C3CCC3)C2)[nH]1 ZINC000334819108 386947756 /nfs/dbraw/zinc/94/77/56/386947756.db2.gz OGWFJUVOOVBFOK-NSHDSACASA-N 1 2 221.304 1.411 20 0 BDADLO Nc1nc(NCCCCCO)[nH+]c2ccccc12 ZINC000302823457 386938599 /nfs/dbraw/zinc/93/85/99/386938599.db2.gz UTVDHLQNKJPTFP-UHFFFAOYSA-N 1 2 246.314 1.787 20 0 BDADLO CN(Cc1ccc(N)[nH+]c1)c1cncc(Cl)n1 ZINC000302847380 386941274 /nfs/dbraw/zinc/94/12/74/386941274.db2.gz HCNPHKXJYAWNSJ-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO CC[C@@H](C)[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302906699 386945346 /nfs/dbraw/zinc/94/53/46/386945346.db2.gz XBRIQWSBBQUMQY-HTQZYQBOSA-N 1 2 248.334 1.792 20 0 BDADLO CCCC1(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000332058195 386952362 /nfs/dbraw/zinc/95/23/62/386952362.db2.gz WNILNPCCJKRMCI-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CCCC1(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000332058195 386952368 /nfs/dbraw/zinc/95/23/68/386952368.db2.gz WNILNPCCJKRMCI-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO CS[C@H](C)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000358407379 386953096 /nfs/dbraw/zinc/95/30/96/386953096.db2.gz RKHPIFZHAMZYNQ-MRVPVSSYSA-N 1 2 227.333 1.558 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH+]c[nH]2)n(C)n1 ZINC000331071909 386953827 /nfs/dbraw/zinc/95/38/27/386953827.db2.gz DSQOBNJMELQMNW-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH]c[nH+]2)n(C)n1 ZINC000331071909 386953829 /nfs/dbraw/zinc/95/38/29/386953829.db2.gz DSQOBNJMELQMNW-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H]2CO)cs1 ZINC000334823896 386954309 /nfs/dbraw/zinc/95/43/09/386954309.db2.gz IHHBSGGLMBJCNQ-SNVBAGLBSA-N 1 2 244.385 1.361 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H]2CO)cs1 ZINC000334823896 386954314 /nfs/dbraw/zinc/95/43/14/386954314.db2.gz IHHBSGGLMBJCNQ-SNVBAGLBSA-N 1 2 244.385 1.361 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000331069998 386954929 /nfs/dbraw/zinc/95/49/29/386954929.db2.gz SJRGLWNZQWHGCA-MWLCHTKSSA-N 1 2 239.319 1.097 20 0 BDADLO Cc1noc([C@@H]2CC[N@H+](Cc3ncccn3)C2)n1 ZINC000332068644 386955600 /nfs/dbraw/zinc/95/56/00/386955600.db2.gz AOTMVDXNBWYGJR-SNVBAGLBSA-N 1 2 245.286 1.158 20 0 BDADLO Cc1noc([C@@H]2CC[N@@H+](Cc3ncccn3)C2)n1 ZINC000332068644 386955604 /nfs/dbraw/zinc/95/56/04/386955604.db2.gz AOTMVDXNBWYGJR-SNVBAGLBSA-N 1 2 245.286 1.158 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)CCc1c[nH+]cn1C ZINC000334885401 386958163 /nfs/dbraw/zinc/95/81/63/386958163.db2.gz YBUKDFKJOBDSQD-UWVGGRQHSA-N 1 2 221.304 1.362 20 0 BDADLO FC(F)COCC[N@@H+]1CCc2ncccc2C1 ZINC000368321686 386960193 /nfs/dbraw/zinc/96/01/93/386960193.db2.gz NUVQDIXKAHJZPA-UHFFFAOYSA-N 1 2 242.269 1.721 20 0 BDADLO FC(F)COCC[N@H+]1CCc2ncccc2C1 ZINC000368321686 386960198 /nfs/dbraw/zinc/96/01/98/386960198.db2.gz NUVQDIXKAHJZPA-UHFFFAOYSA-N 1 2 242.269 1.721 20 0 BDADLO COC[C@@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000341754607 386961823 /nfs/dbraw/zinc/96/18/23/386961823.db2.gz ADUSAPJKHGAKBU-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO COC[C@@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000341754607 386961827 /nfs/dbraw/zinc/96/18/27/386961827.db2.gz ADUSAPJKHGAKBU-JTQLQIEISA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000368392705 386967303 /nfs/dbraw/zinc/96/73/03/386967303.db2.gz JYOKBDRXCQEAJV-QWRGUYRKSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000368392705 386967306 /nfs/dbraw/zinc/96/73/06/386967306.db2.gz JYOKBDRXCQEAJV-QWRGUYRKSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000368392705 386967308 /nfs/dbraw/zinc/96/73/08/386967308.db2.gz JYOKBDRXCQEAJV-QWRGUYRKSA-N 1 2 238.335 1.349 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000368392705 386967312 /nfs/dbraw/zinc/96/73/12/386967312.db2.gz JYOKBDRXCQEAJV-QWRGUYRKSA-N 1 2 238.335 1.349 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000368410255 386969264 /nfs/dbraw/zinc/96/92/64/386969264.db2.gz JMOJCVGOWANEFN-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO NC(=O)c1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000334895423 386969633 /nfs/dbraw/zinc/96/96/33/386969633.db2.gz OHIUBASFXFQOJH-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO NC(=O)c1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000334895423 386969638 /nfs/dbraw/zinc/96/96/38/386969638.db2.gz OHIUBASFXFQOJH-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO CN(Cc1nccs1)Cc1cc[nH+]c(N)c1 ZINC000191523414 386970048 /nfs/dbraw/zinc/97/00/48/386970048.db2.gz JZPMBBWQBXFHMQ-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO CCC1(O)CC[NH+](Cc2nnc(C)s2)CC1 ZINC000358512468 386972046 /nfs/dbraw/zinc/97/20/46/386972046.db2.gz SYRNBROYXLBKTI-UHFFFAOYSA-N 1 2 241.360 1.583 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000334898495 386972998 /nfs/dbraw/zinc/97/29/98/386972998.db2.gz HOFRSTZIIUAKBT-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO Cn1ccc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000334898495 386973002 /nfs/dbraw/zinc/97/30/02/386973002.db2.gz HOFRSTZIIUAKBT-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO CC[C@H]1OCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331158623 386977175 /nfs/dbraw/zinc/97/71/75/386977175.db2.gz FEDCWWHZRVVBDI-GHMZBOCLSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@H]1OCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331158623 386977181 /nfs/dbraw/zinc/97/71/81/386977181.db2.gz FEDCWWHZRVVBDI-GHMZBOCLSA-N 1 2 237.303 1.231 20 0 BDADLO COC(=O)[C@@H](C)CNc1cc(C(C)C)[nH+]cn1 ZINC000352973620 386982788 /nfs/dbraw/zinc/98/27/88/386982788.db2.gz RWNGVGRVTIHFNF-VIFPVBQESA-N 1 2 237.303 1.243 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](COC(F)F)C2)n1 ZINC000353028430 386982889 /nfs/dbraw/zinc/98/28/89/386982889.db2.gz NXEJLFKYHIROMI-MRVPVSSYSA-N 1 2 247.245 1.439 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](COC(F)F)C2)n1 ZINC000353028430 386982894 /nfs/dbraw/zinc/98/28/94/386982894.db2.gz NXEJLFKYHIROMI-MRVPVSSYSA-N 1 2 247.245 1.439 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000368515241 386983854 /nfs/dbraw/zinc/98/38/54/386983854.db2.gz GYXIMPVQKOQCAL-SECBINFHSA-N 1 2 209.245 1.242 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000368515241 386983858 /nfs/dbraw/zinc/98/38/58/386983858.db2.gz GYXIMPVQKOQCAL-SECBINFHSA-N 1 2 209.245 1.242 20 0 BDADLO C[C@H](C[NH+]1CCS(=O)CC1)c1ccccc1 ZINC000116878707 386986505 /nfs/dbraw/zinc/98/65/05/386986505.db2.gz WYUTVBOQUIWNIX-GFCCVEGCSA-N 1 2 237.368 1.854 20 0 BDADLO CC[C@@H](C)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000353284158 386992162 /nfs/dbraw/zinc/99/21/62/386992162.db2.gz STXJRHYLSUCACM-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CC[C@@H](C)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000353284158 386992167 /nfs/dbraw/zinc/99/21/67/386992167.db2.gz STXJRHYLSUCACM-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CSC[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000267183120 386994416 /nfs/dbraw/zinc/99/44/16/386994416.db2.gz JDFZQUOZUDGCTI-ZETCQYMHSA-N 1 2 227.333 1.333 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000332665077 386997756 /nfs/dbraw/zinc/99/77/56/386997756.db2.gz GTVJXMWZYWLXEM-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000332665077 386997762 /nfs/dbraw/zinc/99/77/62/386997762.db2.gz GTVJXMWZYWLXEM-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)n1cncn1 ZINC000331247308 386997974 /nfs/dbraw/zinc/99/79/74/386997974.db2.gz VOTYYYGGVSUTSQ-JTQLQIEISA-N 1 2 245.286 1.490 20 0 BDADLO CCCCOC1CC[NH+](CC(=O)OCC)CC1 ZINC000341901172 386998254 /nfs/dbraw/zinc/99/82/54/386998254.db2.gz ZKWBXPMQMRXIEZ-UHFFFAOYSA-N 1 2 243.347 1.831 20 0 BDADLO CC[C@H](NC(=O)[C@H](CO)C(C)C)c1[nH]cc[nH+]1 ZINC000331259886 387000973 /nfs/dbraw/zinc/00/09/73/387000973.db2.gz ATKDJOIYHDLZPN-ZJUUUORDSA-N 1 2 239.319 1.242 20 0 BDADLO COCc1nc(C[NH+]2C[C@@H](C)[C@H](C)C2)no1 ZINC000332700616 387003667 /nfs/dbraw/zinc/00/36/67/387003667.db2.gz NDBINDZASTWXMI-RKDXNWHRSA-N 1 2 225.292 1.304 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCCO1 ZINC000333352822 387030409 /nfs/dbraw/zinc/03/04/09/387030409.db2.gz FTDOBGAAZTXIDO-SNVBAGLBSA-N 1 2 220.272 1.816 20 0 BDADLO CC[NH+](CC)Cc1nc(C(F)F)no1 ZINC000425386035 387035611 /nfs/dbraw/zinc/03/56/11/387035611.db2.gz QWOWLSACIPQJRC-UHFFFAOYSA-N 1 2 205.208 1.849 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCCC3)n(C)n1 ZINC000334960560 387039175 /nfs/dbraw/zinc/03/91/75/387039175.db2.gz IAMXXWKBTRPAJL-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCCC3)n(C)n1 ZINC000334960560 387039180 /nfs/dbraw/zinc/03/91/80/387039180.db2.gz IAMXXWKBTRPAJL-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO C[C@H](O)C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000369388405 387041866 /nfs/dbraw/zinc/04/18/66/387041866.db2.gz GOGNVIUFBJXRGQ-LURJTMIESA-N 1 2 249.236 1.167 20 0 BDADLO C[C@H](O)C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000369388405 387041869 /nfs/dbraw/zinc/04/18/69/387041869.db2.gz GOGNVIUFBJXRGQ-LURJTMIESA-N 1 2 249.236 1.167 20 0 BDADLO C[C@@H](Cn1cncn1)Nc1c[nH+]cc(N(C)C)c1 ZINC000639363657 387044485 /nfs/dbraw/zinc/04/44/85/387044485.db2.gz RZZJILUQUXDDNO-JTQLQIEISA-N 1 2 246.318 1.240 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000359029782 387047601 /nfs/dbraw/zinc/04/76/01/387047601.db2.gz UBRYARSIPJUQLM-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000359029782 387047602 /nfs/dbraw/zinc/04/76/02/387047602.db2.gz UBRYARSIPJUQLM-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO Cc1cc(CNC(=O)N(C)C)cc(C)[nH+]1 ZINC000334970075 387054160 /nfs/dbraw/zinc/05/41/60/387054160.db2.gz MFUZFCXHMPPEBN-UHFFFAOYSA-N 1 2 207.277 1.470 20 0 BDADLO CC(=O)c1csc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359125190 387057403 /nfs/dbraw/zinc/05/74/03/387057403.db2.gz UHUFOZRMEBYAPG-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO CC(=O)c1csc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359125190 387057406 /nfs/dbraw/zinc/05/74/06/387057406.db2.gz UHUFOZRMEBYAPG-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO Cc1nccc(CSCCn2cc[nH+]c2)n1 ZINC000359122182 387058407 /nfs/dbraw/zinc/05/84/07/387058407.db2.gz HBDHPDFDWXYDHH-UHFFFAOYSA-N 1 2 234.328 1.915 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)c1ccccc1 ZINC000336222569 387062096 /nfs/dbraw/zinc/06/20/96/387062096.db2.gz CIAYMLKPPCETPB-HNNXBMFYSA-N 1 2 220.297 1.728 20 0 BDADLO Cc1cc(NC[C@]2(C)CCO[C@H]2C2CC2)nc[nH+]1 ZINC000341965918 387011129 /nfs/dbraw/zinc/01/11/29/387011129.db2.gz VJEJCKYASKJKNB-KBPBESRZSA-N 1 2 247.342 1.824 20 0 BDADLO COc1ncncc1C[N@H+](C)Cc1ccncc1 ZINC000648022867 387020061 /nfs/dbraw/zinc/02/00/61/387020061.db2.gz JXWSBKGLWJMIHS-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ncncc1C[N@@H+](C)Cc1ccncc1 ZINC000648022867 387020067 /nfs/dbraw/zinc/02/00/67/387020067.db2.gz JXWSBKGLWJMIHS-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO Cc1[nH]c(C(=O)NC2C[C@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000334943346 387020259 /nfs/dbraw/zinc/02/02/59/387020259.db2.gz NMHMAWGPSLVGAK-YUMQZZPRSA-N 1 2 237.303 1.404 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000333307866 387026911 /nfs/dbraw/zinc/02/69/11/387026911.db2.gz DEYQZIAWACLLQD-PSASIEDQSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000333307866 387026917 /nfs/dbraw/zinc/02/69/17/387026917.db2.gz DEYQZIAWACLLQD-PSASIEDQSA-N 1 2 248.330 1.365 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)on1 ZINC000369032910 387027131 /nfs/dbraw/zinc/02/71/31/387027131.db2.gz TWNUYACOLXCLPB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)on1 ZINC000369032910 387027135 /nfs/dbraw/zinc/02/71/35/387027135.db2.gz TWNUYACOLXCLPB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@@H](COC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494508 387066247 /nfs/dbraw/zinc/06/62/47/387066247.db2.gz URWDGNSIRMXMJL-ZJUUUORDSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CC[C@H](C)O ZINC000304291997 387028920 /nfs/dbraw/zinc/02/89/20/387028920.db2.gz CUZUXXPYSWFTMS-DTWKUNHWSA-N 1 2 239.319 1.711 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CC[C@H](C)O ZINC000304291997 387028923 /nfs/dbraw/zinc/02/89/23/387028923.db2.gz CUZUXXPYSWFTMS-DTWKUNHWSA-N 1 2 239.319 1.711 20 0 BDADLO Cc1c(Cl)c(C[NH+]2CC(C)C2)nn1C ZINC000334983209 387069745 /nfs/dbraw/zinc/06/97/45/387069745.db2.gz ZGNVATWRZRGUIH-UHFFFAOYSA-N 1 2 213.712 1.834 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000246330943 387074400 /nfs/dbraw/zinc/07/44/00/387074400.db2.gz XUMHDUGXFMGQCD-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000246330943 387074404 /nfs/dbraw/zinc/07/44/04/387074404.db2.gz XUMHDUGXFMGQCD-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(N)=O ZINC000114725166 387074656 /nfs/dbraw/zinc/07/46/56/387074656.db2.gz NMJIZJKZMMTGMM-SNVBAGLBSA-N 1 2 236.315 1.391 20 0 BDADLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(N)=O ZINC000114725166 387074658 /nfs/dbraw/zinc/07/46/58/387074658.db2.gz NMJIZJKZMMTGMM-SNVBAGLBSA-N 1 2 236.315 1.391 20 0 BDADLO C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CC=CCC1 ZINC000336243916 387081618 /nfs/dbraw/zinc/08/16/18/387081618.db2.gz VHLXYOBGWYPHPK-LBPRGKRZSA-N 1 2 219.288 1.772 20 0 BDADLO O=C([C@H]1CC=CCC1)N1CCn2cc[nH+]c2C1 ZINC000334993043 387082443 /nfs/dbraw/zinc/08/24/43/387082443.db2.gz YTGXTZGTBDZKII-NSHDSACASA-N 1 2 231.299 1.582 20 0 BDADLO CC1(C)COCC[N@@H+]1CCOCC(F)(F)F ZINC000066423796 387083366 /nfs/dbraw/zinc/08/33/66/387083366.db2.gz VXJHCZVOOSUJIY-UHFFFAOYSA-N 1 2 241.253 1.676 20 0 BDADLO CC1(C)COCC[N@H+]1CCOCC(F)(F)F ZINC000066423796 387083370 /nfs/dbraw/zinc/08/33/70/387083370.db2.gz VXJHCZVOOSUJIY-UHFFFAOYSA-N 1 2 241.253 1.676 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000336259444 387090197 /nfs/dbraw/zinc/09/01/97/387090197.db2.gz AYPURQJHXNFLMW-SECBINFHSA-N 1 2 220.251 1.273 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000336259444 387090199 /nfs/dbraw/zinc/09/01/99/387090199.db2.gz AYPURQJHXNFLMW-SECBINFHSA-N 1 2 220.251 1.273 20 0 BDADLO C[C@H]1CCC[C@H](C[NH+]2CC(S(C)(=O)=O)C2)C1 ZINC000418084880 387094710 /nfs/dbraw/zinc/09/47/10/387094710.db2.gz RZWSBPMXHIIMGA-QWRGUYRKSA-N 1 2 245.388 1.542 20 0 BDADLO C[C@@H]1CCC[C@H](C[NH+]2CC(S(C)(=O)=O)C2)C1 ZINC000418084879 387094721 /nfs/dbraw/zinc/09/47/21/387094721.db2.gz RZWSBPMXHIIMGA-MNOVXSKESA-N 1 2 245.388 1.542 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccncc1 ZINC000336264889 387099946 /nfs/dbraw/zinc/09/99/46/387099946.db2.gz HQQUXDQDSIPLTN-NWDGAFQWSA-N 1 2 219.332 1.606 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336267316 387101104 /nfs/dbraw/zinc/10/11/04/387101104.db2.gz HPVZRYOGTLHKSM-GFCCVEGCSA-N 1 2 230.327 1.725 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000336267316 387101107 /nfs/dbraw/zinc/10/11/07/387101107.db2.gz HPVZRYOGTLHKSM-GFCCVEGCSA-N 1 2 230.327 1.725 20 0 BDADLO Cc1cc(C)c(CN2C(=O)N[C@@H](C)C2=O)c[nH+]1 ZINC000335006801 387101415 /nfs/dbraw/zinc/10/14/15/387101415.db2.gz UMTKRORNCODKMM-VIFPVBQESA-N 1 2 233.271 1.139 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000336273127 387106481 /nfs/dbraw/zinc/10/64/81/387106481.db2.gz JVKDRSHOVURJCK-GFCCVEGCSA-N 1 2 207.273 1.890 20 0 BDADLO c1coc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000336273127 387106483 /nfs/dbraw/zinc/10/64/83/387106483.db2.gz JVKDRSHOVURJCK-GFCCVEGCSA-N 1 2 207.273 1.890 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000336279833 387110507 /nfs/dbraw/zinc/11/05/07/387110507.db2.gz DGFIOAYOKGTVMA-LLVKDONJSA-N 1 2 210.252 1.252 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000336279833 387110513 /nfs/dbraw/zinc/11/05/13/387110513.db2.gz DGFIOAYOKGTVMA-LLVKDONJSA-N 1 2 210.252 1.252 20 0 BDADLO CCOC[C@@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000188870867 387112639 /nfs/dbraw/zinc/11/26/39/387112639.db2.gz JEQMSSGJSYDHHE-LLVKDONJSA-N 1 2 211.309 1.560 20 0 BDADLO Cc1csc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000359578307 387125922 /nfs/dbraw/zinc/12/59/22/387125922.db2.gz QWCZZYFDORPNHC-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1csc(C[N@H+](C)[C@@]2(CO)CCOC2)n1 ZINC000359578307 387125926 /nfs/dbraw/zinc/12/59/26/387125926.db2.gz QWCZZYFDORPNHC-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO CCOCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000370612783 387129799 /nfs/dbraw/zinc/12/97/99/387129799.db2.gz QZTRAKFYUQVCQX-UHFFFAOYSA-N 1 2 232.287 1.138 20 0 BDADLO CCC[C@@H](O)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000370746599 387142001 /nfs/dbraw/zinc/14/20/01/387142001.db2.gz FPCCAUFRNKCZQK-LLVKDONJSA-N 1 2 246.314 1.262 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)cs1)C1(CO)CC1 ZINC000353154532 387144488 /nfs/dbraw/zinc/14/44/88/387144488.db2.gz MTDHVFHSWWOLID-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)cs1)C1(CO)CC1 ZINC000353154532 387144497 /nfs/dbraw/zinc/14/44/97/387144497.db2.gz MTDHVFHSWWOLID-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1scnc1C ZINC000353154598 387145081 /nfs/dbraw/zinc/14/50/81/387145081.db2.gz NBFAUVRNAAUSNA-UHFFFAOYSA-N 1 2 242.344 1.835 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1scnc1C ZINC000353154598 387145085 /nfs/dbraw/zinc/14/50/85/387145085.db2.gz NBFAUVRNAAUSNA-UHFFFAOYSA-N 1 2 242.344 1.835 20 0 BDADLO CCOc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359685395 387146590 /nfs/dbraw/zinc/14/65/90/387146590.db2.gz SXXMUERNIDZMTE-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO CCOc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359685395 387146594 /nfs/dbraw/zinc/14/65/94/387146594.db2.gz SXXMUERNIDZMTE-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO CC(C)(C)C[N@H+](CCCO)Cc1csnn1 ZINC000120036396 387149831 /nfs/dbraw/zinc/14/98/31/387149831.db2.gz MQVRYECGVNSSLS-UHFFFAOYSA-N 1 2 243.376 1.769 20 0 BDADLO CC(C)(C)C[N@@H+](CCCO)Cc1csnn1 ZINC000120036396 387149836 /nfs/dbraw/zinc/14/98/36/387149836.db2.gz MQVRYECGVNSSLS-UHFFFAOYSA-N 1 2 243.376 1.769 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1CCn1cncn1 ZINC000353175841 387150197 /nfs/dbraw/zinc/15/01/97/387150197.db2.gz SKXGSBRGYKXGPW-MRVPVSSYSA-N 1 2 216.235 1.008 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1CCn1cncn1 ZINC000353175841 387150202 /nfs/dbraw/zinc/15/02/02/387150202.db2.gz SKXGSBRGYKXGPW-MRVPVSSYSA-N 1 2 216.235 1.008 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000353200412 387155227 /nfs/dbraw/zinc/15/52/27/387155227.db2.gz JLFJDBSHSTZCLH-MRVPVSSYSA-N 1 2 248.277 1.010 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000353200412 387155229 /nfs/dbraw/zinc/15/52/29/387155229.db2.gz JLFJDBSHSTZCLH-MRVPVSSYSA-N 1 2 248.277 1.010 20 0 BDADLO CN(c1cc(NC2CC2)[nH+]cn1)[C@@H]1CCC[C@H]1O ZINC000334045045 387165834 /nfs/dbraw/zinc/16/58/34/387165834.db2.gz PSSGUBRMEKGICZ-GHMZBOCLSA-N 1 2 248.330 1.401 20 0 BDADLO CN(c1cc(NC2CC2)nc[nH+]1)[C@@H]1CCC[C@H]1O ZINC000334045045 387165839 /nfs/dbraw/zinc/16/58/39/387165839.db2.gz PSSGUBRMEKGICZ-GHMZBOCLSA-N 1 2 248.330 1.401 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1CCOCC1CC1 ZINC000353283733 387170669 /nfs/dbraw/zinc/17/06/69/387170669.db2.gz BCYJYGAFLJZXAE-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1CCOCC1CC1 ZINC000353283733 387170672 /nfs/dbraw/zinc/17/06/72/387170672.db2.gz BCYJYGAFLJZXAE-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H](F)C1 ZINC000571804312 387173799 /nfs/dbraw/zinc/17/37/99/387173799.db2.gz CAEAPLKXPBLXKZ-UWVGGRQHSA-N 1 2 225.267 1.280 20 0 BDADLO CC1(C)[C@H]([NH2+]CC(F)(F)CN)[C@@H]2CCCO[C@H]21 ZINC000423331158 387174879 /nfs/dbraw/zinc/17/48/79/387174879.db2.gz CLGOIJABSJSRHD-IVZWLZJFSA-N 1 2 248.317 1.374 20 0 BDADLO CC1(C)[C@H]([NH2+]CC(F)(F)CN)[C@@H]2CCCO[C@@H]21 ZINC000423331155 387175097 /nfs/dbraw/zinc/17/50/97/387175097.db2.gz CLGOIJABSJSRHD-AEJSXWLSSA-N 1 2 248.317 1.374 20 0 BDADLO C[C@H](CC(=O)N1[C@H](C)C[C@H]1C)n1cc[nH+]c1 ZINC000571812214 387175361 /nfs/dbraw/zinc/17/53/61/387175361.db2.gz ZROSDTGCTKWIOW-GMTAPVOTSA-N 1 2 221.304 1.844 20 0 BDADLO COCc1noc([C@H](C)[N@H+](C)C[C@H](C)OC)n1 ZINC000353323585 387179867 /nfs/dbraw/zinc/17/98/67/387179867.db2.gz ZPEGFBXHINUFND-IUCAKERBSA-N 1 2 243.307 1.244 20 0 BDADLO COCc1noc([C@H](C)[N@@H+](C)C[C@H](C)OC)n1 ZINC000353323585 387179870 /nfs/dbraw/zinc/17/98/70/387179870.db2.gz ZPEGFBXHINUFND-IUCAKERBSA-N 1 2 243.307 1.244 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1ccn(C)n1 ZINC000353343233 387185296 /nfs/dbraw/zinc/18/52/96/387185296.db2.gz JFQJSGDHYLSJHD-UWVGGRQHSA-N 1 2 248.334 1.351 20 0 BDADLO CCc1[nH]nc(NC(=O)CCc2[nH]cc[nH+]2)c1C ZINC000353357842 387187052 /nfs/dbraw/zinc/18/70/52/387187052.db2.gz XNTPOYAQCYPNKF-UHFFFAOYSA-N 1 2 247.302 1.575 20 0 BDADLO C[N@H+](Cc1cccc(F)c1F)[C@H]1CCNC1=O ZINC000336360016 387189207 /nfs/dbraw/zinc/18/92/07/387189207.db2.gz CEASLMSYRSXNIB-JTQLQIEISA-N 1 2 240.253 1.285 20 0 BDADLO C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCNC1=O ZINC000336360016 387189211 /nfs/dbraw/zinc/18/92/11/387189211.db2.gz CEASLMSYRSXNIB-JTQLQIEISA-N 1 2 240.253 1.285 20 0 BDADLO CC(=O)NCCN(C)c1[nH+]c2ccccc2n1C ZINC000571877918 387189515 /nfs/dbraw/zinc/18/95/15/387189515.db2.gz NWGCQLPITRDJBM-UHFFFAOYSA-N 1 2 246.314 1.146 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000359917616 387191154 /nfs/dbraw/zinc/19/11/54/387191154.db2.gz NVIZEWSLGXTOAN-ONGXEEELSA-N 1 2 236.315 1.669 20 0 BDADLO Cc1noc(C[N@@H+]2CCSC[C@H]2C2CC2)n1 ZINC000336307425 387136079 /nfs/dbraw/zinc/13/60/79/387136079.db2.gz DXAWOPVOPOJXPN-JTQLQIEISA-N 1 2 239.344 1.705 20 0 BDADLO Cc1noc(C[N@H+]2CCSC[C@H]2C2CC2)n1 ZINC000336307425 387136081 /nfs/dbraw/zinc/13/60/81/387136081.db2.gz DXAWOPVOPOJXPN-JTQLQIEISA-N 1 2 239.344 1.705 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458777703 387140549 /nfs/dbraw/zinc/14/05/49/387140549.db2.gz OVZWGVOYWALCCK-GXSJLCMTSA-N 1 2 236.319 1.060 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000119557908 387140620 /nfs/dbraw/zinc/14/06/20/387140620.db2.gz BARXRYPHPWMITP-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000119557908 387140627 /nfs/dbraw/zinc/14/06/27/387140627.db2.gz BARXRYPHPWMITP-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000119557761 387140699 /nfs/dbraw/zinc/14/06/99/387140699.db2.gz BARXRYPHPWMITP-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000119557761 387140701 /nfs/dbraw/zinc/14/07/01/387140701.db2.gz BARXRYPHPWMITP-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@H]1F ZINC000424595730 387204719 /nfs/dbraw/zinc/20/47/19/387204719.db2.gz RTVOISNIHRGIDP-FXPVBKGRSA-N 1 2 225.267 1.136 20 0 BDADLO CCc1nc(C[N@H+](C)C2CC(O)C2)cs1 ZINC000353468505 387206374 /nfs/dbraw/zinc/20/63/74/387206374.db2.gz OJJHKCSNEPTSNV-UHFFFAOYSA-N 1 2 226.345 1.661 20 0 BDADLO CCc1nc(C[N@@H+](C)C2CC(O)C2)cs1 ZINC000353468505 387206381 /nfs/dbraw/zinc/20/63/81/387206381.db2.gz OJJHKCSNEPTSNV-UHFFFAOYSA-N 1 2 226.345 1.661 20 0 BDADLO Cn1c[nH+]cc1CSc1ncccn1 ZINC000336377096 387208016 /nfs/dbraw/zinc/20/80/16/387208016.db2.gz XEQXKNQAJCBEDB-UHFFFAOYSA-N 1 2 206.274 1.502 20 0 BDADLO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300416646 387209532 /nfs/dbraw/zinc/20/95/32/387209532.db2.gz GNRQLLLQVPQTBK-VWYCJHECSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000336380428 387212097 /nfs/dbraw/zinc/21/20/97/387212097.db2.gz LIFOUKHMCBGYIE-UHFFFAOYSA-N 1 2 248.326 1.817 20 0 BDADLO Cc1nnsc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000571980251 387215722 /nfs/dbraw/zinc/21/57/22/387215722.db2.gz BZGABPGRHLNVTI-MLXNANBUSA-N 1 2 247.389 1.045 20 0 BDADLO Cc1nnsc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000571980251 387215733 /nfs/dbraw/zinc/21/57/33/387215733.db2.gz BZGABPGRHLNVTI-MLXNANBUSA-N 1 2 247.389 1.045 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)n1cccn1 ZINC000424698783 387253010 /nfs/dbraw/zinc/25/30/10/387253010.db2.gz CNGOQACKIBKBGE-VIFPVBQESA-N 1 2 247.302 1.182 20 0 BDADLO O=C(CC1(C(F)(F)F)CC1)NCc1[nH]cc[nH+]1 ZINC000353508431 387218527 /nfs/dbraw/zinc/21/85/27/387218527.db2.gz OGCCNCDPUJWRMN-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000353505788 387219142 /nfs/dbraw/zinc/21/91/42/387219142.db2.gz WDEYBECWBYDCNL-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C)Cc2cc[nH]n2)n1 ZINC000353544733 387226615 /nfs/dbraw/zinc/22/66/15/387226615.db2.gz QGTPBYTYFRVBKN-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)Cc2cc[nH]n2)n1 ZINC000353544733 387226618 /nfs/dbraw/zinc/22/66/18/387226618.db2.gz QGTPBYTYFRVBKN-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H](CO)O1 ZINC000230009423 387227049 /nfs/dbraw/zinc/22/70/49/387227049.db2.gz REEFFDGDTHYCSH-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H](CO)O1 ZINC000230009423 387227052 /nfs/dbraw/zinc/22/70/52/387227052.db2.gz REEFFDGDTHYCSH-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000648638745 387229840 /nfs/dbraw/zinc/22/98/40/387229840.db2.gz ZLKLSKGMWIANCN-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000648638745 387229844 /nfs/dbraw/zinc/22/98/44/387229844.db2.gz ZLKLSKGMWIANCN-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000648638745 387229851 /nfs/dbraw/zinc/22/98/51/387229851.db2.gz ZLKLSKGMWIANCN-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000648638745 387229856 /nfs/dbraw/zinc/22/98/56/387229856.db2.gz ZLKLSKGMWIANCN-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C=CCCC1)C1CC1 ZINC000284831348 387232869 /nfs/dbraw/zinc/23/28/69/387232869.db2.gz BIBPHAINWISUNJ-GHMZBOCLSA-N 1 2 209.289 1.636 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360174919 387238316 /nfs/dbraw/zinc/23/83/16/387238316.db2.gz GQJCZUVMEXXEDN-UWVGGRQHSA-N 1 2 221.304 1.804 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000360176497 387239096 /nfs/dbraw/zinc/23/90/96/387239096.db2.gz WEDSZOKQUQBQHO-MNOVXSKESA-N 1 2 236.315 1.669 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2[nH]cc[nH+]2)[nH]1 ZINC000120478671 387248842 /nfs/dbraw/zinc/24/88/42/387248842.db2.gz QFQFTHYDTBKCED-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CC(Cc2ccccc2F)C1 ZINC000371344765 387197046 /nfs/dbraw/zinc/19/70/46/387197046.db2.gz MYZPZADWSPACGW-CYBMUJFWSA-N 1 2 249.285 1.616 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)C1CC1 ZINC000353427766 387199502 /nfs/dbraw/zinc/19/95/02/387199502.db2.gz CCNWPHCSBWORLM-UHFFFAOYSA-N 1 2 221.304 1.804 20 0 BDADLO Cc1cnccc1C(=O)Nc1cc[nH+]cc1C ZINC000336481145 387310310 /nfs/dbraw/zinc/31/03/10/387310310.db2.gz KCXCZYOUPKZUKD-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000336492976 387319083 /nfs/dbraw/zinc/31/90/83/387319083.db2.gz JCTDMHUTNKLVOL-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO Cn1ccnc1C[N@H+]1CCOCC2(CC2)C1 ZINC000336492976 387319086 /nfs/dbraw/zinc/31/90/86/387319086.db2.gz JCTDMHUTNKLVOL-UHFFFAOYSA-N 1 2 221.304 1.033 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336429662 387256309 /nfs/dbraw/zinc/25/63/09/387256309.db2.gz PDFOLQNONDOCAC-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ncc(Cl)s1 ZINC000336429662 387256313 /nfs/dbraw/zinc/25/63/13/387256313.db2.gz PDFOLQNONDOCAC-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C(C)C)nnc1C ZINC000424718515 387257748 /nfs/dbraw/zinc/25/77/48/387257748.db2.gz JHRCOFQHLKJRRI-UHFFFAOYSA-N 1 2 245.330 1.905 20 0 BDADLO CC[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000336432289 387258508 /nfs/dbraw/zinc/25/85/08/387258508.db2.gz WYDJGNKLMVSNFC-DGCLKSJQSA-N 1 2 247.342 1.601 20 0 BDADLO COC[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000120779044 387269581 /nfs/dbraw/zinc/26/95/81/387269581.db2.gz KEQNIXYXCWHKFA-VIFPVBQESA-N 1 2 223.276 1.546 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H](F)C1 ZINC000360358575 387269883 /nfs/dbraw/zinc/26/98/83/387269883.db2.gz GMZPUCCKLLJNBX-VHSXEESVSA-N 1 2 225.267 1.280 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000360374446 387273618 /nfs/dbraw/zinc/27/36/18/387273618.db2.gz UQXQHCBMWUKDBT-VHSXEESVSA-N 1 2 239.294 1.360 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)C12CCC2 ZINC000195005070 387275728 /nfs/dbraw/zinc/27/57/28/387275728.db2.gz KRLIIBIMIQJJNK-OUAUKWLOSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1cccn1C ZINC000353806507 387276629 /nfs/dbraw/zinc/27/66/29/387276629.db2.gz PXAAPLHKUHJENV-UVWXRNBGSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1cccn1C ZINC000353806507 387276634 /nfs/dbraw/zinc/27/66/34/387276634.db2.gz PXAAPLHKUHJENV-UVWXRNBGSA-N 1 2 240.372 1.366 20 0 BDADLO NC(=O)CSCCCc1[nH]c2ccccc2[nH+]1 ZINC000514730376 387281390 /nfs/dbraw/zinc/28/13/90/387281390.db2.gz QPPYVHMNSOZXHO-UHFFFAOYSA-N 1 2 249.339 1.714 20 0 BDADLO Cc1[nH]ncc1CN1CC[NH+](C2CCCC2)CC1 ZINC000120900788 387282518 /nfs/dbraw/zinc/28/25/18/387282518.db2.gz RFVQFPQMWFACGA-UHFFFAOYSA-N 1 2 248.374 1.778 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccncc1C ZINC000572232726 387283559 /nfs/dbraw/zinc/28/35/59/387283559.db2.gz GJYFZSCJRGTDDT-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccncc1C ZINC000572232726 387283563 /nfs/dbraw/zinc/28/35/63/387283563.db2.gz GJYFZSCJRGTDDT-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000514738955 387283596 /nfs/dbraw/zinc/28/35/96/387283596.db2.gz VCRBWPZVYVOJOI-NSHDSACASA-N 1 2 234.299 1.352 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000514738955 387283601 /nfs/dbraw/zinc/28/36/01/387283601.db2.gz VCRBWPZVYVOJOI-NSHDSACASA-N 1 2 234.299 1.352 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372262493 387287487 /nfs/dbraw/zinc/28/74/87/387287487.db2.gz REEIRIQUNOPHLF-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCc1cccn1C ZINC000336472600 387302109 /nfs/dbraw/zinc/30/21/09/387302109.db2.gz YEKDAZMOCQTGGR-UHFFFAOYSA-N 1 2 244.298 1.472 20 0 BDADLO CC(C)(O)Cn1c2ccccc2[nH+]c1CCCO ZINC000303401259 387354122 /nfs/dbraw/zinc/35/41/22/387354122.db2.gz LWBWEZHMVWZRJQ-UHFFFAOYSA-N 1 2 248.326 1.732 20 0 BDADLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)no1 ZINC000336532409 387355721 /nfs/dbraw/zinc/35/57/21/387355721.db2.gz XUHVJORCUVBVOZ-JTQLQIEISA-N 1 2 246.270 1.683 20 0 BDADLO CCOC(=O)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162427995 387356393 /nfs/dbraw/zinc/35/63/93/387356393.db2.gz YQFWDRFFAIASBL-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cn1 ZINC000336534364 387357253 /nfs/dbraw/zinc/35/72/53/387357253.db2.gz ZPVBVFDIRGHHHW-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cn1 ZINC000336534364 387357257 /nfs/dbraw/zinc/35/72/57/387357257.db2.gz ZPVBVFDIRGHHHW-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000336534364 387357262 /nfs/dbraw/zinc/35/72/62/387357262.db2.gz ZPVBVFDIRGHHHW-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO CC[C@@H](CCO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000354326858 387360137 /nfs/dbraw/zinc/36/01/37/387360137.db2.gz LBSQFXKYDFEUKQ-NSHDSACASA-N 1 2 235.331 1.657 20 0 BDADLO CCn1nnc(C)c1C[NH2+][C@@H]1CCCC1(F)F ZINC000648589191 387362096 /nfs/dbraw/zinc/36/20/96/387362096.db2.gz ZWGAXHBZJQEVGR-SNVBAGLBSA-N 1 2 244.289 1.884 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2C)c(C)n1 ZINC000336544882 387368673 /nfs/dbraw/zinc/36/86/73/387368673.db2.gz BAEOKLGDQJFSCV-LBPRGKRZSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2C)c(C)n1 ZINC000336544882 387368677 /nfs/dbraw/zinc/36/86/77/387368677.db2.gz BAEOKLGDQJFSCV-LBPRGKRZSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1nc(N(C)Cc2ncc[nH]2)c(C)c(C)[nH+]1 ZINC000354396589 387369901 /nfs/dbraw/zinc/36/99/01/387369901.db2.gz WXWYKAKMKBYFFH-UHFFFAOYSA-N 1 2 231.303 1.761 20 0 BDADLO Cc1ccccc1C[N@@H+]1CCn2nncc2C1 ZINC000515355625 387370076 /nfs/dbraw/zinc/37/00/76/387370076.db2.gz YTBFQNPYSZYMRK-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1ccccc1C[N@H+]1CCn2nncc2C1 ZINC000515355625 387370078 /nfs/dbraw/zinc/37/00/78/387370078.db2.gz YTBFQNPYSZYMRK-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000336553142 387374338 /nfs/dbraw/zinc/37/43/38/387374338.db2.gz GFPNFLXMLQNODO-VIFPVBQESA-N 1 2 248.248 1.459 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000336553142 387374341 /nfs/dbraw/zinc/37/43/41/387374341.db2.gz GFPNFLXMLQNODO-VIFPVBQESA-N 1 2 248.248 1.459 20 0 BDADLO C[C@@H](CF)[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000287161985 387379559 /nfs/dbraw/zinc/37/95/59/387379559.db2.gz IYQYTFZEHXEXDC-XVKPBYJWSA-N 1 2 228.242 1.300 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372752669 387323902 /nfs/dbraw/zinc/32/39/02/387323902.db2.gz SLALMAMNIXYGTJ-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372752668 387325469 /nfs/dbraw/zinc/32/54/69/387325469.db2.gz SLALMAMNIXYGTJ-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1nc(NCc2nn(C)cc2Cl)cc[nH+]1 ZINC000393339259 387326969 /nfs/dbraw/zinc/32/69/69/387326969.db2.gz SLEJKRSUHGXGBV-UHFFFAOYSA-N 1 2 237.694 1.206 20 0 BDADLO C[C@@H](CNc1cccc[nH+]1)c1nncn1C ZINC000286671328 387336982 /nfs/dbraw/zinc/33/69/82/387336982.db2.gz MPWSTKSFPRSWHZ-VIFPVBQESA-N 1 2 217.276 1.426 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[C@H](F)C1 ZINC000336558792 387383454 /nfs/dbraw/zinc/38/34/54/387383454.db2.gz JSHCZSISIGQSMN-IUCAKERBSA-N 1 2 240.282 1.110 20 0 BDADLO CCN(CC)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373151463 387346232 /nfs/dbraw/zinc/34/62/32/387346232.db2.gz JXSJRNSGNAAQOC-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCc1[nH+]ccn1C ZINC000354257262 387351680 /nfs/dbraw/zinc/35/16/80/387351680.db2.gz VHPLFARTYGGUJT-BDAKNGLRSA-N 1 2 207.277 1.082 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cn1 ZINC000121461057 387354077 /nfs/dbraw/zinc/35/40/77/387354077.db2.gz INOZKDRWBHAOEG-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cn1 ZINC000121461057 387354084 /nfs/dbraw/zinc/35/40/84/387354084.db2.gz INOZKDRWBHAOEG-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CC1CCC1)C2 ZINC000374154605 387427199 /nfs/dbraw/zinc/42/71/99/387427199.db2.gz YIYYCDAAIJKWBP-LBPRGKRZSA-N 1 2 247.342 1.813 20 0 BDADLO C[NH2+]Cc1noc(COc2cc(C)cc(C)c2)n1 ZINC000515802094 387428787 /nfs/dbraw/zinc/42/87/87/387428787.db2.gz YEBAUDDYYKHPFC-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO COC(C)(C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000361291359 387434481 /nfs/dbraw/zinc/43/44/81/387434481.db2.gz WWYMAWKMIZMXIQ-UHFFFAOYSA-N 1 2 235.331 1.921 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCF ZINC000374304180 387437027 /nfs/dbraw/zinc/43/70/27/387437027.db2.gz YYTZZMLECPXTLJ-NSHDSACASA-N 1 2 241.310 1.759 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCF ZINC000374304180 387437029 /nfs/dbraw/zinc/43/70/29/387437029.db2.gz YYTZZMLECPXTLJ-NSHDSACASA-N 1 2 241.310 1.759 20 0 BDADLO C[C@@H](CCC1CC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423867024 387440121 /nfs/dbraw/zinc/44/01/21/387440121.db2.gz FZVQLKKDJZWLOT-WCBMZHEXSA-N 1 2 246.301 1.679 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1ncn(C)n1 ZINC000361334060 387441592 /nfs/dbraw/zinc/44/15/92/387441592.db2.gz FPUCBDGAIOZPFU-GHMZBOCLSA-N 1 2 240.351 1.263 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Nc1cnn(C)c1 ZINC000121959827 387442666 /nfs/dbraw/zinc/44/26/66/387442666.db2.gz IVUFYBZEWGGHSM-UHFFFAOYSA-N 1 2 231.259 1.768 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1C[C@H](C)CC(C)C ZINC000304152415 387443136 /nfs/dbraw/zinc/44/31/36/387443136.db2.gz DCQCRCXFAUVISG-VXGBXAGGSA-N 1 2 243.347 1.542 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1C[C@H](C)CC(C)C ZINC000304152415 387443139 /nfs/dbraw/zinc/44/31/39/387443139.db2.gz DCQCRCXFAUVISG-VXGBXAGGSA-N 1 2 243.347 1.542 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@H](C)CC(C)C ZINC000304152409 387443359 /nfs/dbraw/zinc/44/33/59/387443359.db2.gz DCQCRCXFAUVISG-NEPJUHHUSA-N 1 2 243.347 1.542 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@H](C)CC(C)C ZINC000304152409 387443364 /nfs/dbraw/zinc/44/33/64/387443364.db2.gz DCQCRCXFAUVISG-NEPJUHHUSA-N 1 2 243.347 1.542 20 0 BDADLO CC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000515972444 387444073 /nfs/dbraw/zinc/44/40/73/387444073.db2.gz ZGWVWWYVKBVQTE-NWDGAFQWSA-N 1 2 243.347 1.469 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC(=O)N1 ZINC000515984430 387445906 /nfs/dbraw/zinc/44/59/06/387445906.db2.gz YCHWUZXVSUATHS-VVEJJEBESA-N 1 2 230.311 1.520 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC(=O)N1 ZINC000515984430 387445908 /nfs/dbraw/zinc/44/59/08/387445908.db2.gz YCHWUZXVSUATHS-VVEJJEBESA-N 1 2 230.311 1.520 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000361437629 387461983 /nfs/dbraw/zinc/46/19/83/387461983.db2.gz NKBHXCWSGJUBGK-VHSXEESVSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000361437629 387461988 /nfs/dbraw/zinc/46/19/88/387461988.db2.gz NKBHXCWSGJUBGK-VHSXEESVSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000361361352 387447420 /nfs/dbraw/zinc/44/74/20/387447420.db2.gz GBCMHHIEZMVSJI-SECBINFHSA-N 1 2 249.270 1.550 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000361361352 387447425 /nfs/dbraw/zinc/44/74/25/387447425.db2.gz GBCMHHIEZMVSJI-SECBINFHSA-N 1 2 249.270 1.550 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(C)CC1 ZINC000336611883 387453267 /nfs/dbraw/zinc/45/32/67/387453267.db2.gz ZIVPMZLSBKEOOY-UHFFFAOYSA-N 1 2 204.273 1.805 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cn1 ZINC000352710689 387455474 /nfs/dbraw/zinc/45/54/74/387455474.db2.gz KIUWERWGEQRIOK-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC2(CCC2(F)F)C1 ZINC000336617801 387458652 /nfs/dbraw/zinc/45/86/52/387458652.db2.gz IEQBZBNMOCWXFQ-UHFFFAOYSA-N 1 2 227.258 1.949 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC2(CCC2(F)F)C1 ZINC000336617801 387458656 /nfs/dbraw/zinc/45/86/56/387458656.db2.gz IEQBZBNMOCWXFQ-UHFFFAOYSA-N 1 2 227.258 1.949 20 0 BDADLO Cc1ccsc1C[N@@H+](C)Cc1nnnn1C ZINC000354990438 387459483 /nfs/dbraw/zinc/45/94/83/387459483.db2.gz BWDMZJHPMCBTDF-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1ccsc1C[N@H+](C)Cc1nnnn1C ZINC000354990438 387459487 /nfs/dbraw/zinc/45/94/87/387459487.db2.gz BWDMZJHPMCBTDF-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO CC[C@@H]([NH3+])CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000423672883 387393212 /nfs/dbraw/zinc/39/32/12/387393212.db2.gz FJLQSWWMYDBTEN-SSDOTTSWSA-N 1 2 244.241 1.138 20 0 BDADLO Cc1ccncc1C(=O)Nc1cc[nH+]cc1C ZINC000336573981 387396667 /nfs/dbraw/zinc/39/66/67/387396667.db2.gz PZDRHRPIYPYHFB-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO CC[C@H](O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000361098725 387400763 /nfs/dbraw/zinc/40/07/63/387400763.db2.gz UPIZMGVHCCBKOL-NSHDSACASA-N 1 2 235.331 1.739 20 0 BDADLO CN(Cc1cc[nH]n1)Cc1cn2c([nH+]1)CCCC2 ZINC000373879163 387401214 /nfs/dbraw/zinc/40/12/14/387401214.db2.gz BILYMCZFEQMYQO-UHFFFAOYSA-N 1 2 245.330 1.575 20 0 BDADLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)C(F)(F)F ZINC000361438524 387461157 /nfs/dbraw/zinc/46/11/57/387461157.db2.gz ADNIMQUIZKZDNY-QMMMGPOBSA-N 1 2 249.236 1.588 20 0 BDADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cscn1 ZINC000361568309 387496118 /nfs/dbraw/zinc/49/61/18/387496118.db2.gz WTTWFIXEWPZXTG-MWLCHTKSSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cscn1 ZINC000361568309 387496120 /nfs/dbraw/zinc/49/61/20/387496120.db2.gz WTTWFIXEWPZXTG-MWLCHTKSSA-N 1 2 242.344 1.115 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)C[C@H](C)OC ZINC000361580141 387501176 /nfs/dbraw/zinc/50/11/76/387501176.db2.gz ZKLBTWXGJTTYKH-NSHDSACASA-N 1 2 240.351 1.545 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)C[C@H](C)OC ZINC000361580141 387501182 /nfs/dbraw/zinc/50/11/82/387501182.db2.gz ZKLBTWXGJTTYKH-NSHDSACASA-N 1 2 240.351 1.545 20 0 BDADLO CCC[C@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000361594787 387507191 /nfs/dbraw/zinc/50/71/91/387507191.db2.gz QIWQIBFUMYYXNQ-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO O=C(C1=CCCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375062274 387508013 /nfs/dbraw/zinc/50/80/13/387508013.db2.gz AIGOVFXHPLJYEH-SNVBAGLBSA-N 1 2 247.298 1.768 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2c(C)n[nH]c2C)n1 ZINC000361611763 387510180 /nfs/dbraw/zinc/51/01/80/387510180.db2.gz RQIMHAUBZCTAAX-MRVPVSSYSA-N 1 2 235.291 1.569 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCOC2(CCCC2)C1 ZINC000361676381 387520324 /nfs/dbraw/zinc/52/03/24/387520324.db2.gz XKFJVRLYTHREQX-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCOC2(CCCC2)C1 ZINC000361676381 387520331 /nfs/dbraw/zinc/52/03/31/387520331.db2.gz XKFJVRLYTHREQX-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1ncccn1 ZINC000361748345 387528529 /nfs/dbraw/zinc/52/85/29/387528529.db2.gz AOQXWAZYTCPAMI-JTQLQIEISA-N 1 2 249.339 1.670 20 0 BDADLO COCC[C@H]([NH2+]Cc1ncccn1)c1ccco1 ZINC000361748045 387528717 /nfs/dbraw/zinc/52/87/17/387528717.db2.gz GAVVEFTZNKCEJG-NSHDSACASA-N 1 2 247.298 1.937 20 0 BDADLO Cc1cc(C)c(CNc2nnc(C)c(C)n2)c[nH+]1 ZINC000396998062 387532282 /nfs/dbraw/zinc/53/22/82/387532282.db2.gz YGKVCTCBHFLXJE-UHFFFAOYSA-N 1 2 243.314 1.534 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C1CC(F)(F)C1 ZINC000277361391 387533602 /nfs/dbraw/zinc/53/36/02/387533602.db2.gz ATAWHURMLOQLJI-UHFFFAOYSA-N 1 2 201.220 1.605 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H](C)O)C(=O)OC(C)(C)C ZINC000192787722 387534481 /nfs/dbraw/zinc/53/44/81/387534481.db2.gz MUSUMJZDZFYWFQ-DCAQKATOSA-N 1 2 245.363 1.713 20 0 BDADLO CC(C)=C(F)C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000361813755 387537391 /nfs/dbraw/zinc/53/73/91/387537391.db2.gz MTCSQGOXPWPYQB-UHFFFAOYSA-N 1 2 237.278 1.568 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000310705819 387539377 /nfs/dbraw/zinc/53/93/77/387539377.db2.gz IARPBEPLABDGRV-ZDUSSCGKSA-N 1 2 247.346 1.729 20 0 BDADLO COC(C)(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000397097815 387541531 /nfs/dbraw/zinc/54/15/31/387541531.db2.gz NYZSAYVSTFMZCF-UHFFFAOYSA-N 1 2 236.315 1.740 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)NCc1[nH+]ccn1C ZINC000355034039 387467870 /nfs/dbraw/zinc/46/78/70/387467870.db2.gz DXGIATGTOQOKMV-UHFFFAOYSA-N 1 2 247.302 1.090 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@H](C)O)s1 ZINC000361506335 387474120 /nfs/dbraw/zinc/47/41/20/387474120.db2.gz FIOCACHLGQVVKF-NKWVEPMBSA-N 1 2 215.322 1.220 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@H](C)O)s1 ZINC000361506335 387474121 /nfs/dbraw/zinc/47/41/21/387474121.db2.gz FIOCACHLGQVVKF-NKWVEPMBSA-N 1 2 215.322 1.220 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1=CCCCO1)CC2 ZINC000374650056 387476243 /nfs/dbraw/zinc/47/62/43/387476243.db2.gz WMHARUWYSTXTPV-UHFFFAOYSA-N 1 2 247.298 1.228 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)OC ZINC000355078948 387477488 /nfs/dbraw/zinc/47/74/88/387477488.db2.gz CFOSIVLHLBBCHK-YFKTTZPYSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000336623581 387477781 /nfs/dbraw/zinc/47/77/81/387477781.db2.gz HOSNADGHZKIGKX-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000336623581 387477788 /nfs/dbraw/zinc/47/77/88/387477788.db2.gz HOSNADGHZKIGKX-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO C[N@H+](CC(=O)Nc1ccncc1)Cc1ccoc1 ZINC000352782679 387481570 /nfs/dbraw/zinc/48/15/70/387481570.db2.gz FOFQXRIPUVEXDF-UHFFFAOYSA-N 1 2 245.282 1.167 20 0 BDADLO C[N@@H+](CC(=O)Nc1ccncc1)Cc1ccoc1 ZINC000352782679 387481574 /nfs/dbraw/zinc/48/15/74/387481574.db2.gz FOFQXRIPUVEXDF-UHFFFAOYSA-N 1 2 245.282 1.167 20 0 BDADLO CC(C)(C)[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000361537897 387483001 /nfs/dbraw/zinc/48/30/01/387483001.db2.gz ALBQMRGTOGUMRT-VIFPVBQESA-N 1 2 238.335 1.768 20 0 BDADLO CC(C)(C)[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000361537897 387483008 /nfs/dbraw/zinc/48/30/08/387483008.db2.gz ALBQMRGTOGUMRT-VIFPVBQESA-N 1 2 238.335 1.768 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC=CCC1)CC2 ZINC000374693488 387483475 /nfs/dbraw/zinc/48/34/75/387483475.db2.gz LBHVSPOAFXUXSU-GFCCVEGCSA-N 1 2 245.326 1.890 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(N(C)C)no1 ZINC000532318399 387491245 /nfs/dbraw/zinc/49/12/45/387491245.db2.gz BPUAPMYAUDULMK-HTQZYQBOSA-N 1 2 210.281 1.118 20 0 BDADLO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ncn(C)n1 ZINC000396777598 387491447 /nfs/dbraw/zinc/49/14/47/387491447.db2.gz CSGVSIUKDVFTRP-IUCAKERBSA-N 1 2 224.308 1.033 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000375779148 387581533 /nfs/dbraw/zinc/58/15/33/387581533.db2.gz WHDWLWIGANFTEW-NSHDSACASA-N 1 2 233.315 1.589 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCOCC[C@H]1C ZINC000362241314 387587530 /nfs/dbraw/zinc/58/75/30/387587530.db2.gz YNRKQRQAVYLIOM-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCOCC[C@H]1C ZINC000362241314 387587534 /nfs/dbraw/zinc/58/75/34/387587534.db2.gz YNRKQRQAVYLIOM-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(C)n1 ZINC000426753155 387590283 /nfs/dbraw/zinc/59/02/83/387590283.db2.gz CDHRBZGUMOADGS-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc(C)n1 ZINC000426753155 387590288 /nfs/dbraw/zinc/59/02/88/387590288.db2.gz CDHRBZGUMOADGS-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cc(C)n2c(C[NH2+]CC(F)F)cnc2n1 ZINC000362308997 387595310 /nfs/dbraw/zinc/59/53/10/387595310.db2.gz NHAUBXHDVOAIRV-UHFFFAOYSA-N 1 2 240.257 1.701 20 0 BDADLO CCC[C@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000194287272 387596906 /nfs/dbraw/zinc/59/69/06/387596906.db2.gz JIASHYWXRVWKJR-LBPRGKRZSA-N 1 2 245.330 1.841 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000430267798 387602192 /nfs/dbraw/zinc/60/21/92/387602192.db2.gz LGCYGRSSDNWYRU-JTQLQIEISA-N 1 2 249.362 1.826 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000430267798 387602194 /nfs/dbraw/zinc/60/21/94/387602194.db2.gz LGCYGRSSDNWYRU-JTQLQIEISA-N 1 2 249.362 1.826 20 0 BDADLO CC[N@@H+](Cc1noc(COC)n1)CC1CC1 ZINC000356225067 387629825 /nfs/dbraw/zinc/62/98/25/387629825.db2.gz GOVRRWGMGUSKKE-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO CC[N@H+](Cc1noc(COC)n1)CC1CC1 ZINC000356225067 387629826 /nfs/dbraw/zinc/62/98/26/387629826.db2.gz GOVRRWGMGUSKKE-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242534 387624284 /nfs/dbraw/zinc/62/42/84/387624284.db2.gz RBJPGTAQJVLSCK-GRYCIOLGSA-N 1 2 242.363 1.400 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242534 387624285 /nfs/dbraw/zinc/62/42/85/387624285.db2.gz RBJPGTAQJVLSCK-GRYCIOLGSA-N 1 2 242.363 1.400 20 0 BDADLO c1[nH]c2nccnc2c1CNc1cccc[nH+]1 ZINC000356179305 387624715 /nfs/dbraw/zinc/62/47/15/387624715.db2.gz VHRDYAJPTXHEQO-UHFFFAOYSA-N 1 2 225.255 1.917 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000362525152 387625305 /nfs/dbraw/zinc/62/53/05/387625305.db2.gz QTSORWPIWFNZLB-VHSXEESVSA-N 1 2 237.303 1.326 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ncnn2CC)cn1 ZINC000355586149 387554064 /nfs/dbraw/zinc/55/40/64/387554064.db2.gz SMPYBWNQOGRVOL-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000375697642 387569194 /nfs/dbraw/zinc/56/91/94/387569194.db2.gz MWWPISZYDRZITM-IUCAKERBSA-N 1 2 239.275 1.016 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000375697642 387569197 /nfs/dbraw/zinc/56/91/97/387569197.db2.gz MWWPISZYDRZITM-IUCAKERBSA-N 1 2 239.275 1.016 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)nn1C(C)C ZINC000422124809 387572833 /nfs/dbraw/zinc/57/28/33/387572833.db2.gz URLJBMZSSITROI-UHFFFAOYSA-N 1 2 233.319 1.540 20 0 BDADLO c1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)nc1 ZINC000375762004 387579061 /nfs/dbraw/zinc/57/90/61/387579061.db2.gz IVQQWBOHQAOOOW-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO c1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)nc1 ZINC000375762004 387579064 /nfs/dbraw/zinc/57/90/64/387579064.db2.gz IVQQWBOHQAOOOW-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(CCOC(C)C)CC1 ZINC000440777310 387694506 /nfs/dbraw/zinc/69/45/06/387694506.db2.gz USTZPGXYIHOLIF-CYBMUJFWSA-N 1 2 246.370 1.777 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H](C)C(C)C)no1 ZINC000356248299 387633516 /nfs/dbraw/zinc/63/35/16/387633516.db2.gz ZBMWCYVXYIWSHJ-VIFPVBQESA-N 1 2 227.308 1.692 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H](C)C(C)C)no1 ZINC000356248299 387633520 /nfs/dbraw/zinc/63/35/20/387633520.db2.gz ZBMWCYVXYIWSHJ-VIFPVBQESA-N 1 2 227.308 1.692 20 0 BDADLO COC(=O)C[C@@H](C)Nc1nc(C)[nH+]c(C)c1F ZINC000356667270 387694929 /nfs/dbraw/zinc/69/49/29/387694929.db2.gz IYRHITADWDVOEN-ZCFIWIBFSA-N 1 2 241.266 1.018 20 0 BDADLO C=Cn1cc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000356303706 387640708 /nfs/dbraw/zinc/64/07/08/387640708.db2.gz NTVJIYPHWQDCIU-UHFFFAOYSA-N 1 2 230.271 1.483 20 0 BDADLO O=C(C1CCC1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367236481 387666048 /nfs/dbraw/zinc/66/60/48/387666048.db2.gz FVWYWOKEHMUMFA-CYBMUJFWSA-N 1 2 245.326 1.355 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)[C@H]1C1CC1 ZINC000527703711 387667656 /nfs/dbraw/zinc/66/76/56/387667656.db2.gz AAOHEVNKKUKQBK-ZWKOPEQDSA-N 1 2 247.342 1.671 20 0 BDADLO CCOCC[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431033498 387673730 /nfs/dbraw/zinc/67/37/30/387673730.db2.gz IGHCVHPNNVQMBJ-UHFFFAOYSA-N 1 2 237.278 1.583 20 0 BDADLO C[N@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362935010 387673872 /nfs/dbraw/zinc/67/38/72/387673872.db2.gz OAMQKMFAYZIXOT-UHFFFAOYSA-N 1 2 216.235 1.137 20 0 BDADLO C[N@@H+](Cc1ncnn1CC(F)F)C1CC1 ZINC000362935010 387673876 /nfs/dbraw/zinc/67/38/76/387673876.db2.gz OAMQKMFAYZIXOT-UHFFFAOYSA-N 1 2 216.235 1.137 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000440706005 387675641 /nfs/dbraw/zinc/67/56/41/387675641.db2.gz QXVPTAKPJRESGZ-ZETCQYMHSA-N 1 2 249.240 1.077 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000440706005 387675643 /nfs/dbraw/zinc/67/56/43/387675643.db2.gz QXVPTAKPJRESGZ-ZETCQYMHSA-N 1 2 249.240 1.077 20 0 BDADLO C/C(=C/c1ccccc1)C[NH2+]Cc1nnn(C)n1 ZINC000362955315 387679196 /nfs/dbraw/zinc/67/91/96/387679196.db2.gz QGYISOBPDHBSQV-FLIBITNWSA-N 1 2 243.314 1.403 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccnn2C(C)C)n1 ZINC000527737207 387684490 /nfs/dbraw/zinc/68/44/90/387684490.db2.gz WKDKSSWFOIHXKR-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO COCCC1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000422786667 387687881 /nfs/dbraw/zinc/68/78/81/387687881.db2.gz LDHCIWOEXCURQA-UHFFFAOYSA-N 1 2 235.287 1.249 20 0 BDADLO CC[C@H](F)C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000440771595 387690617 /nfs/dbraw/zinc/69/06/17/387690617.db2.gz CRUXQEWCVLBOTH-GXSJLCMTSA-N 1 2 249.351 1.386 20 0 BDADLO CC[C@H](F)C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000440771595 387690622 /nfs/dbraw/zinc/69/06/22/387690622.db2.gz CRUXQEWCVLBOTH-GXSJLCMTSA-N 1 2 249.351 1.386 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000432004527 387744669 /nfs/dbraw/zinc/74/46/69/387744669.db2.gz AQFJBZWLVVJUKE-WCQGTBRESA-N 1 2 233.315 1.434 20 0 BDADLO CC[C@@H]1CN(c2[nH+]cccc2OC)CCO1 ZINC000527834942 387748475 /nfs/dbraw/zinc/74/84/75/387748475.db2.gz DUNVUETXHVKMKI-SNVBAGLBSA-N 1 2 222.288 1.705 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000367787205 387752433 /nfs/dbraw/zinc/75/24/33/387752433.db2.gz WWPFIIYVJGAYDV-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000367787205 387752438 /nfs/dbraw/zinc/75/24/38/387752438.db2.gz WWPFIIYVJGAYDV-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO Fc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1F ZINC000367779748 387752460 /nfs/dbraw/zinc/75/24/60/387752460.db2.gz PAJSFCZCLMDYRI-QWHCGFSZSA-N 1 2 239.265 1.980 20 0 BDADLO Fc1ccc(CC[N@H+]2CCO[C@@H]3C[C@@H]32)cc1F ZINC000367779748 387752465 /nfs/dbraw/zinc/75/24/65/387752465.db2.gz PAJSFCZCLMDYRI-QWHCGFSZSA-N 1 2 239.265 1.980 20 0 BDADLO CCC[C@@]1(CO)CC[N@H+](Cc2csnn2)C1 ZINC000377853379 387752454 /nfs/dbraw/zinc/75/24/54/387752454.db2.gz ZNSRQOKGKHSXRT-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO CCC[C@@]1(CO)CC[N@@H+](Cc2csnn2)C1 ZINC000377853379 387752458 /nfs/dbraw/zinc/75/24/58/387752458.db2.gz ZNSRQOKGKHSXRT-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO Cc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)n1 ZINC000441381045 387754740 /nfs/dbraw/zinc/75/47/40/387754740.db2.gz HDAUBYWYPBHZND-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cccc(C[N@H+]2CCOC[C@]23CCOC3)n1 ZINC000441381045 387754743 /nfs/dbraw/zinc/75/47/43/387754743.db2.gz HDAUBYWYPBHZND-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)CC1=CCCOC1 ZINC000126948636 387700507 /nfs/dbraw/zinc/70/05/07/387700507.db2.gz JRWDEHNGIVGLCF-UHFFFAOYSA-N 1 2 241.331 1.607 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)CC1=CCCOC1 ZINC000126948636 387700512 /nfs/dbraw/zinc/70/05/12/387700512.db2.gz JRWDEHNGIVGLCF-UHFFFAOYSA-N 1 2 241.331 1.607 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)OC ZINC000452035288 387703628 /nfs/dbraw/zinc/70/36/28/387703628.db2.gz OAWSRUZKORTHMU-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1noc(CC)n1 ZINC000452029402 387705005 /nfs/dbraw/zinc/70/50/05/387705005.db2.gz YICRRMVDGVWCBS-NXEZZACHSA-N 1 2 239.319 1.679 20 0 BDADLO C[N@H+](Cc1nnn(CC(F)(F)F)n1)C1CCC1 ZINC000440799939 387705951 /nfs/dbraw/zinc/70/59/51/387705951.db2.gz NUQGPRHMUXYTFL-UHFFFAOYSA-N 1 2 249.240 1.220 20 0 BDADLO C[N@@H+](Cc1nnn(CC(F)(F)F)n1)C1CCC1 ZINC000440799939 387705958 /nfs/dbraw/zinc/70/59/58/387705958.db2.gz NUQGPRHMUXYTFL-UHFFFAOYSA-N 1 2 249.240 1.220 20 0 BDADLO C[C@H](O)CC[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431408043 387708479 /nfs/dbraw/zinc/70/84/79/387708479.db2.gz ADNVAVISOYXSQH-QMMMGPOBSA-N 1 2 237.278 1.317 20 0 BDADLO O=C(COc1cc[nH+]cc1)NC1CCCCC1 ZINC000431480356 387709729 /nfs/dbraw/zinc/70/97/29/387709729.db2.gz CKDFMIBIZZLKOG-UHFFFAOYSA-N 1 2 234.299 1.909 20 0 BDADLO O=C1N=NC(C[N@@H+]2CCC3(CCC3)C2)S1 ZINC000367464552 387713083 /nfs/dbraw/zinc/71/30/83/387713083.db2.gz ULISWQQDALNHEM-UHFFFAOYSA-N 1 2 225.317 1.620 20 0 BDADLO O=C1N=NC(C[N@H+]2CCC3(CCC3)C2)S1 ZINC000367464552 387713090 /nfs/dbraw/zinc/71/30/90/387713090.db2.gz ULISWQQDALNHEM-UHFFFAOYSA-N 1 2 225.317 1.620 20 0 BDADLO CC(C)CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526661 387723593 /nfs/dbraw/zinc/72/35/93/387723593.db2.gz WQHIJAWLWOMAHJ-JTQLQIEISA-N 1 2 238.335 1.736 20 0 BDADLO CC(C)CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526661 387723598 /nfs/dbraw/zinc/72/35/98/387723598.db2.gz WQHIJAWLWOMAHJ-JTQLQIEISA-N 1 2 238.335 1.736 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1[nH+]cccc1OC ZINC000527891227 387774266 /nfs/dbraw/zinc/77/42/66/387774266.db2.gz GAISKVSUBIBDIN-UWVGGRQHSA-N 1 2 224.304 1.909 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378304107 387774384 /nfs/dbraw/zinc/77/43/84/387774384.db2.gz CJKPWVGMEGXAKU-PKFCDNJMSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378304107 387774388 /nfs/dbraw/zinc/77/43/88/387774388.db2.gz CJKPWVGMEGXAKU-PKFCDNJMSA-N 1 2 247.342 1.819 20 0 BDADLO COC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000378262217 387775084 /nfs/dbraw/zinc/77/50/84/387775084.db2.gz RGFMJJMHHSWEEJ-UHFFFAOYSA-N 1 2 234.299 1.434 20 0 BDADLO C[C@H](CCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000150868792 387779234 /nfs/dbraw/zinc/77/92/34/387779234.db2.gz GFFKMCVUBWLPBY-MRVPVSSYSA-N 1 2 207.277 1.537 20 0 BDADLO CC[C@]1(O)CCN(c2[nH+]cccc2OC)C1 ZINC000527969924 387812710 /nfs/dbraw/zinc/81/27/10/387812710.db2.gz WYQUKEQIDZNBTP-LBPRGKRZSA-N 1 2 222.288 1.441 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2ccc(F)cn2)n1 ZINC000527921538 387789023 /nfs/dbraw/zinc/78/90/23/387789023.db2.gz NTHIIPYPTILKTI-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000527934743 387796926 /nfs/dbraw/zinc/79/69/26/387796926.db2.gz KTBDQSUDQKWBMC-NEPJUHHUSA-N 1 2 248.326 1.953 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOCC2CC2)o1 ZINC000309508094 387813075 /nfs/dbraw/zinc/81/30/75/387813075.db2.gz WMFGUFNIWZRNRW-QMMMGPOBSA-N 1 2 225.292 1.455 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)[nH]n1 ZINC000422991878 387800935 /nfs/dbraw/zinc/80/09/35/387800935.db2.gz QGYDJSZMVKAQFH-OUJBWJOFSA-N 1 2 236.363 1.237 20 0 BDADLO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)n[nH]1 ZINC000422991878 387800938 /nfs/dbraw/zinc/80/09/38/387800938.db2.gz QGYDJSZMVKAQFH-OUJBWJOFSA-N 1 2 236.363 1.237 20 0 BDADLO CNC(=O)[C@]1(C)CCN(c2[nH+]cccc2OC)C1 ZINC000527996950 387805114 /nfs/dbraw/zinc/80/51/14/387805114.db2.gz RPTUBPXKVNDFPQ-CYBMUJFWSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1cncc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000228692934 387811132 /nfs/dbraw/zinc/81/11/32/387811132.db2.gz IKCCMQZASMHASW-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cncc(C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000228692934 387811135 /nfs/dbraw/zinc/81/11/35/387811135.db2.gz IKCCMQZASMHASW-NSHDSACASA-N 1 2 218.300 1.801 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](OC(F)F)C1 ZINC000528005972 387819956 /nfs/dbraw/zinc/81/99/56/387819956.db2.gz CFWAKKTUDIRUDO-QMMMGPOBSA-N 1 2 244.241 1.908 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccccc2F)nn1 ZINC000054858641 387830320 /nfs/dbraw/zinc/83/03/20/387830320.db2.gz XPYFZQSMHKEVAC-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO Cc1cc(NCC[C@@H]2CCCOC2)nc[nH+]1 ZINC000528072017 387843179 /nfs/dbraw/zinc/84/31/79/387843179.db2.gz GKKVJQSAAGHOMJ-NSHDSACASA-N 1 2 221.304 1.436 20 0 BDADLO COCC1(C)CN(c2cc(C)[nH+]cn2)C1 ZINC000432936924 387844551 /nfs/dbraw/zinc/84/45/51/387844551.db2.gz IODRLHGJXAKPBE-UHFFFAOYSA-N 1 2 207.277 1.258 20 0 BDADLO C[C@@H](CF)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000288171512 387849432 /nfs/dbraw/zinc/84/94/32/387849432.db2.gz ILGMSQXHEKGZOD-QMMMGPOBSA-N 1 2 224.283 1.234 20 0 BDADLO C[C@@H](CF)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000288171512 387849434 /nfs/dbraw/zinc/84/94/34/387849434.db2.gz ILGMSQXHEKGZOD-QMMMGPOBSA-N 1 2 224.283 1.234 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000582577068 387851273 /nfs/dbraw/zinc/85/12/73/387851273.db2.gz JHWSIXPLGRFHLQ-UWVGGRQHSA-N 1 2 221.304 1.125 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000423037026 387851471 /nfs/dbraw/zinc/85/14/71/387851471.db2.gz BAJAPCZUGKQYLD-JTQLQIEISA-N 1 2 241.360 1.647 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423039637 387852766 /nfs/dbraw/zinc/85/27/66/387852766.db2.gz FUPHUNGFMCEPEB-KNBVPPQFSA-N 1 2 240.253 1.489 20 0 BDADLO Cc1nc(C[N@H+](C)CCC[C@@H]2CCOC2)no1 ZINC000645847899 387857166 /nfs/dbraw/zinc/85/71/66/387857166.db2.gz PYXRORIIRZXIJG-LLVKDONJSA-N 1 2 239.319 1.627 20 0 BDADLO Cc1nc(C[N@@H+](C)CCC[C@@H]2CCOC2)no1 ZINC000645847899 387857171 /nfs/dbraw/zinc/85/71/71/387857171.db2.gz PYXRORIIRZXIJG-LLVKDONJSA-N 1 2 239.319 1.627 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1cc(C)[nH+]cn1 ZINC000528157706 387857558 /nfs/dbraw/zinc/85/75/58/387857558.db2.gz MYIVCRXWKPYOEE-KOLCDFICSA-N 1 2 207.277 1.764 20 0 BDADLO CCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424168739 387859105 /nfs/dbraw/zinc/85/91/05/387859105.db2.gz IYONVLLAJXYKFQ-QMMMGPOBSA-N 1 2 220.263 1.148 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cccnc2)n1 ZINC000424172105 387864074 /nfs/dbraw/zinc/86/40/74/387864074.db2.gz NIEYEGGILFBJQR-UHFFFAOYSA-N 1 2 230.271 1.170 20 0 BDADLO C[C@H](CCCO)Nc1cc[nH+]c(C2CC2)n1 ZINC000153898230 387894963 /nfs/dbraw/zinc/89/49/63/387894963.db2.gz JHTXABOJAFTZMY-SECBINFHSA-N 1 2 221.304 1.927 20 0 BDADLO O=C(CC1CC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424182434 387897450 /nfs/dbraw/zinc/89/74/50/387897450.db2.gz ZFUNDHILLANLCV-SECBINFHSA-N 1 2 232.274 1.148 20 0 BDADLO O[C@H]1C[NH+](Cc2c(F)cccc2Cl)C[C@@H]1O ZINC000236591314 387898306 /nfs/dbraw/zinc/89/83/06/387898306.db2.gz BXQMABODVLOWGZ-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO C[C@H]1CC[C@@H](c2noc(CCn3cc[nH+]c3)n2)O1 ZINC000528245569 387876959 /nfs/dbraw/zinc/87/69/59/387876959.db2.gz TWBAUPBJSOEYKQ-UWVGGRQHSA-N 1 2 248.286 1.749 20 0 BDADLO CCNC(=O)N1CC[NH+](C/C=C(/C)Cl)CC1 ZINC000528346576 387906848 /nfs/dbraw/zinc/90/68/48/387906848.db2.gz YLOQTNVRTMUXRA-WMZJFQQLSA-N 1 2 245.754 1.476 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000452771945 387912190 /nfs/dbraw/zinc/91/21/90/387912190.db2.gz JICONCAQSHWCLX-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706765 387913144 /nfs/dbraw/zinc/91/31/44/387913144.db2.gz MWRXXTCUEJBOOJ-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706765 387913147 /nfs/dbraw/zinc/91/31/47/387913147.db2.gz MWRXXTCUEJBOOJ-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](C)[C@H](C)O1 ZINC000438371552 387931273 /nfs/dbraw/zinc/93/12/73/387931273.db2.gz KLNNCJGMNVOCQL-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](C)[C@H](C)O1 ZINC000438371552 387931276 /nfs/dbraw/zinc/93/12/76/387931276.db2.gz KLNNCJGMNVOCQL-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](C)[C@@H](C)O1 ZINC000438371550 387931643 /nfs/dbraw/zinc/93/16/43/387931643.db2.gz KLNNCJGMNVOCQL-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](C)[C@@H](C)O1 ZINC000438371550 387931647 /nfs/dbraw/zinc/93/16/47/387931647.db2.gz KLNNCJGMNVOCQL-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO CC[C@H](C(N)=O)[N@H+](C)Cc1cc(C)ccc1F ZINC000444746161 387919900 /nfs/dbraw/zinc/91/99/00/387919900.db2.gz UWZZKFRVRNVZMO-GFCCVEGCSA-N 1 2 238.306 1.830 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1cc(C)ccc1F ZINC000444746161 387919907 /nfs/dbraw/zinc/91/99/07/387919907.db2.gz UWZZKFRVRNVZMO-GFCCVEGCSA-N 1 2 238.306 1.830 20 0 BDADLO Cn1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)nn1 ZINC000424197292 387921861 /nfs/dbraw/zinc/92/18/61/387921861.db2.gz NWMAUZKERAOJQX-QWHCGFSZSA-N 1 2 246.289 1.542 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438366861 387928441 /nfs/dbraw/zinc/92/84/41/387928441.db2.gz YFFPWFCIEPIRPN-QJPTWQEYSA-N 1 2 237.347 1.901 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1(CF)CCC1 ZINC000648713333 387946971 /nfs/dbraw/zinc/94/69/71/387946971.db2.gz VUSXDNZKIQTUTL-UHFFFAOYSA-N 1 2 239.294 1.529 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)NCCCn1cc[nH+]c1 ZINC000525909712 387956383 /nfs/dbraw/zinc/95/63/83/387956383.db2.gz KSKDMGYIJZWLMI-GHMZBOCLSA-N 1 2 236.319 1.466 20 0 BDADLO COc1ccnc(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000424313042 387965343 /nfs/dbraw/zinc/96/53/43/387965343.db2.gz XVWFBTSVIYKHOJ-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccnc(CN[C@H](C)c2[nH+]ccn2C)n1 ZINC000424313771 387966173 /nfs/dbraw/zinc/96/61/73/387966173.db2.gz YUJHWQILOLCGJN-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H](C)CO)cs1 ZINC000158857944 387966838 /nfs/dbraw/zinc/96/68/38/387966838.db2.gz YREQVIHYIGEVRU-SECBINFHSA-N 1 2 228.361 1.908 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H](C)CO)cs1 ZINC000158857944 387966840 /nfs/dbraw/zinc/96/68/40/387966840.db2.gz YREQVIHYIGEVRU-SECBINFHSA-N 1 2 228.361 1.908 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@@H](C)[C@@H](C)O1 ZINC000446072283 387994358 /nfs/dbraw/zinc/99/43/58/387994358.db2.gz PJQFNIHLTAVPJA-XAVMHZPKSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H](C)[C@@H](C)O1 ZINC000446072283 387994362 /nfs/dbraw/zinc/99/43/62/387994362.db2.gz PJQFNIHLTAVPJA-XAVMHZPKSA-N 1 2 241.253 1.407 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000245770654 387982406 /nfs/dbraw/zinc/98/24/06/387982406.db2.gz RSTXSNPRYVSYNF-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000245770654 387982414 /nfs/dbraw/zinc/98/24/14/387982414.db2.gz RSTXSNPRYVSYNF-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446080647 387998251 /nfs/dbraw/zinc/99/82/51/387998251.db2.gz SPIWFYUFKVDIHN-AEJSXWLSSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446080647 387998253 /nfs/dbraw/zinc/99/82/53/387998253.db2.gz SPIWFYUFKVDIHN-AEJSXWLSSA-N 1 2 224.304 1.981 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1c[nH+]ccc1OC ZINC000446147396 388005400 /nfs/dbraw/zinc/00/54/00/388005400.db2.gz UPKPPCNAUJSFNB-VIFPVBQESA-N 1 2 238.287 1.701 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)ccn1 ZINC000279174036 177795670 /nfs/dbraw/zinc/79/56/70/177795670.db2.gz HICBCJBLYQNFND-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000446344856 388015553 /nfs/dbraw/zinc/01/55/53/388015553.db2.gz ZPWSJXDNPLNPBB-LBPRGKRZSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H](CO)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000156650473 388015702 /nfs/dbraw/zinc/01/57/02/388015702.db2.gz LKFPJTSVYPGLPW-BDAKNGLRSA-N 1 2 221.304 1.783 20 0 BDADLO CSCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000446544822 388026195 /nfs/dbraw/zinc/02/61/95/388026195.db2.gz BJFVOIXBXOPRJQ-UHFFFAOYSA-N 1 2 227.333 1.095 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453317152 388043982 /nfs/dbraw/zinc/04/39/82/388043982.db2.gz JJVNBKVXCMNQJM-UTUOFQBUSA-N 1 2 245.363 1.976 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1c1cc[nH+]c(C)n1 ZINC000447067257 388051283 /nfs/dbraw/zinc/05/12/83/388051283.db2.gz JYIIGCFWDRCCLU-GXSJLCMTSA-N 1 2 221.304 1.789 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC(F)(F)C1 ZINC000440584768 388056566 /nfs/dbraw/zinc/05/65/66/388056566.db2.gz XDOUKHGPGGMUBY-QMMMGPOBSA-N 1 2 243.257 1.433 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1CC(C)(O)C1 ZINC000448837001 388114488 /nfs/dbraw/zinc/11/44/88/388114488.db2.gz RENQIQPHEPVVJS-UHFFFAOYSA-N 1 2 236.271 1.190 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccccc1F ZINC000084081060 388069887 /nfs/dbraw/zinc/06/98/87/388069887.db2.gz FFDMHUPBQGJTDK-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccccc1F ZINC000084081060 388069890 /nfs/dbraw/zinc/06/98/90/388069890.db2.gz FFDMHUPBQGJTDK-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO C[C@@H]([NH2+]C1(C(F)F)CC1)[C@H]1CCCO1 ZINC000336660307 388091838 /nfs/dbraw/zinc/09/18/38/388091838.db2.gz RRHYIKICJYYQFX-HTQZYQBOSA-N 1 2 205.248 1.941 20 0 BDADLO O=C(CSC1CC1)N1CC[NH+](C2CC2)CC1 ZINC000448808993 388113423 /nfs/dbraw/zinc/11/34/23/388113423.db2.gz HDBDHBZHUWZZAO-UHFFFAOYSA-N 1 2 240.372 1.189 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@]2(C)CCCO2)[nH+]1 ZINC000447048551 388050187 /nfs/dbraw/zinc/05/01/87/388050187.db2.gz QAXSMQLTCAOXDU-CYBMUJFWSA-N 1 2 246.314 1.669 20 0 BDADLO CC[C@@H](F)CN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000440519953 388050159 /nfs/dbraw/zinc/05/01/59/388050159.db2.gz KWZYBQRLYZJRDA-GFCCVEGCSA-N 1 2 246.370 1.777 20 0 BDADLO CC[C@@H](F)CN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000440519953 388050163 /nfs/dbraw/zinc/05/01/63/388050163.db2.gz KWZYBQRLYZJRDA-GFCCVEGCSA-N 1 2 246.370 1.777 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)o1 ZINC000646142430 388155879 /nfs/dbraw/zinc/15/58/79/388155879.db2.gz LCQAOKPMTYLDLK-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)o1 ZINC000646142430 388155881 /nfs/dbraw/zinc/15/58/81/388155881.db2.gz LCQAOKPMTYLDLK-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2CC)CCO1 ZINC000195514400 388165771 /nfs/dbraw/zinc/16/57/71/388165771.db2.gz RNHKGFBXJICPOZ-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO c1n[nH]cc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000646295314 388177643 /nfs/dbraw/zinc/17/76/43/388177643.db2.gz JYFFWYLTBMADLL-CHWSQXEVSA-N 1 2 233.315 1.553 20 0 BDADLO c1n[nH]cc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000646295314 388177644 /nfs/dbraw/zinc/17/76/44/388177644.db2.gz JYFFWYLTBMADLL-CHWSQXEVSA-N 1 2 233.315 1.553 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncnn2CC(F)F)[C@H]1C ZINC000488450070 388180155 /nfs/dbraw/zinc/18/01/55/388180155.db2.gz QWFWQAIEOAZMCT-BDAKNGLRSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncnn2CC(F)F)[C@H]1C ZINC000488450070 388180158 /nfs/dbraw/zinc/18/01/58/388180158.db2.gz QWFWQAIEOAZMCT-BDAKNGLRSA-N 1 2 244.289 1.774 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)C(F)F ZINC000449364952 388182888 /nfs/dbraw/zinc/18/28/88/388182888.db2.gz ULKYOBBQJHANHM-ZJUUUORDSA-N 1 2 236.306 1.340 20 0 BDADLO CC[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H](C)O ZINC000456206096 388184795 /nfs/dbraw/zinc/18/47/95/388184795.db2.gz GHKAYTZEIKSFSD-ONGXEEELSA-N 1 2 247.298 1.224 20 0 BDADLO CO[C@H]1C[NH+](Cc2ccc(Cl)o2)C[C@@H]1OC ZINC000488537691 388184825 /nfs/dbraw/zinc/18/48/25/388184825.db2.gz BGDLDUVZEUEQSU-UWVGGRQHSA-N 1 2 245.706 1.779 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@@H](C)O ZINC000488537861 388185337 /nfs/dbraw/zinc/18/53/37/388185337.db2.gz RCHJPVSCQXECLM-KOLCDFICSA-N 1 2 241.331 1.221 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1F ZINC000454610573 388125619 /nfs/dbraw/zinc/12/56/19/388125619.db2.gz GXOXYBNRALRVOT-VHSXEESVSA-N 1 2 240.282 1.073 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000449015109 388129863 /nfs/dbraw/zinc/12/98/63/388129863.db2.gz RXEJQXJCAROCII-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCOC(C)(C)C1 ZINC000449015109 388129866 /nfs/dbraw/zinc/12/98/66/388129866.db2.gz RXEJQXJCAROCII-UHFFFAOYSA-N 1 2 238.335 1.217 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)CC2(CCCC2)O1 ZINC000646134439 388152116 /nfs/dbraw/zinc/15/21/16/388152116.db2.gz BULDVEDBJKYUQN-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC2(CCCC2)O1 ZINC000646134439 388152118 /nfs/dbraw/zinc/15/21/18/388152118.db2.gz BULDVEDBJKYUQN-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO CC[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449653777 388248739 /nfs/dbraw/zinc/24/87/39/388248739.db2.gz SZTYZSCSCVQYCA-DTWKUNHWSA-N 1 2 234.290 1.394 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCSCC1 ZINC000449661633 388249426 /nfs/dbraw/zinc/24/94/26/388249426.db2.gz JANYTFFWQOMUHQ-VIFPVBQESA-N 1 2 231.361 1.812 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000449659699 388249757 /nfs/dbraw/zinc/24/97/57/388249757.db2.gz DEYKYYWZXLFCPY-UNXYVOJBSA-N 1 2 243.347 1.872 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000449664484 388250704 /nfs/dbraw/zinc/25/07/04/388250704.db2.gz PNNCFCLODXUFCF-IVZWLZJFSA-N 1 2 215.293 1.094 20 0 BDADLO C[S@@](=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000449389000 388192110 /nfs/dbraw/zinc/19/21/10/388192110.db2.gz RECXUSRXCOLBIK-MEDUHNTESA-N 1 2 241.331 1.968 20 0 BDADLO C[S@@](=O)c1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000449389000 388192112 /nfs/dbraw/zinc/19/21/12/388192112.db2.gz RECXUSRXCOLBIK-MEDUHNTESA-N 1 2 241.331 1.968 20 0 BDADLO C[S@](=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000449388998 388192150 /nfs/dbraw/zinc/19/21/50/388192150.db2.gz RECXUSRXCOLBIK-BZNIZROVSA-N 1 2 241.331 1.968 20 0 BDADLO C[S@](=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000449388998 388192153 /nfs/dbraw/zinc/19/21/53/388192153.db2.gz RECXUSRXCOLBIK-BZNIZROVSA-N 1 2 241.331 1.968 20 0 BDADLO CCCn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000449391969 388193245 /nfs/dbraw/zinc/19/32/45/388193245.db2.gz ZXBIYONYECCEFH-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CCCn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000449391969 388193248 /nfs/dbraw/zinc/19/32/48/388193248.db2.gz ZXBIYONYECCEFH-LLVKDONJSA-N 1 2 211.284 1.837 20 0 BDADLO CCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456341419 388193255 /nfs/dbraw/zinc/19/32/55/388193255.db2.gz FIPWKYWPFWUTNU-VIFPVBQESA-N 1 2 209.293 1.880 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000456302047 388193352 /nfs/dbraw/zinc/19/33/52/388193352.db2.gz CUSZBXIGBDKGQC-QWRGUYRKSA-N 1 2 235.331 1.751 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CC1(F)F ZINC000456348558 388196489 /nfs/dbraw/zinc/19/64/89/388196489.db2.gz KKPNRZXNHBGGIJ-SFYZADRCSA-N 1 2 243.257 1.735 20 0 BDADLO CC[N@H+](Cc1cc(O)cc(F)c1)C1COC1 ZINC000449421482 388200689 /nfs/dbraw/zinc/20/06/89/388200689.db2.gz AMNRADISIDDMKT-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO CC[N@@H+](Cc1cc(O)cc(F)c1)C1COC1 ZINC000449421482 388200690 /nfs/dbraw/zinc/20/06/90/388200690.db2.gz AMNRADISIDDMKT-UHFFFAOYSA-N 1 2 225.263 1.752 20 0 BDADLO CC[N@H+](Cc1ccnc(C)n1)C1COC1 ZINC000449430425 388203420 /nfs/dbraw/zinc/20/34/20/388203420.db2.gz ZQOZAQXBWGKGLN-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CC[N@@H+](Cc1ccnc(C)n1)C1COC1 ZINC000449430425 388203422 /nfs/dbraw/zinc/20/34/22/388203422.db2.gz ZQOZAQXBWGKGLN-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CC1(C2(NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000456646971 388212399 /nfs/dbraw/zinc/21/23/99/388212399.db2.gz MUGKMQKPYSBJCO-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H](O)C(C)C)c[nH+]1 ZINC000456850333 388226973 /nfs/dbraw/zinc/22/69/73/388226973.db2.gz WIGTZUUNUUXZHY-GFCCVEGCSA-N 1 2 236.315 1.332 20 0 BDADLO CCc1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000449548874 388229936 /nfs/dbraw/zinc/22/99/36/388229936.db2.gz RMDRXVSTPBWBBS-SECBINFHSA-N 1 2 239.344 1.155 20 0 BDADLO CCc1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000449548874 388229938 /nfs/dbraw/zinc/22/99/38/388229938.db2.gz RMDRXVSTPBWBBS-SECBINFHSA-N 1 2 239.344 1.155 20 0 BDADLO CC[C@H]1CCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000490068021 388233769 /nfs/dbraw/zinc/23/37/69/388233769.db2.gz AQGVOXLKQBLPLA-WDEREUQCSA-N 1 2 249.362 1.659 20 0 BDADLO CC[C@H]1CCC[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000490068021 388233771 /nfs/dbraw/zinc/23/37/71/388233771.db2.gz AQGVOXLKQBLPLA-WDEREUQCSA-N 1 2 249.362 1.659 20 0 BDADLO C[N@H+](CCCF)Cc1ncnn1CC(F)F ZINC000490120789 388235137 /nfs/dbraw/zinc/23/51/37/388235137.db2.gz RGBUXPOUSVZMMW-UHFFFAOYSA-N 1 2 236.241 1.335 20 0 BDADLO C[N@@H+](CCCF)Cc1ncnn1CC(F)F ZINC000490120789 388235140 /nfs/dbraw/zinc/23/51/40/388235140.db2.gz RGBUXPOUSVZMMW-UHFFFAOYSA-N 1 2 236.241 1.335 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)no1 ZINC000459425113 388243718 /nfs/dbraw/zinc/24/37/18/388243718.db2.gz RCAZHFZAMRNSJT-GGZOMVNGSA-N 1 2 249.314 1.082 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOCC1CCCC1 ZINC000459446227 388244235 /nfs/dbraw/zinc/24/42/35/388244235.db2.gz PATIWSJDHLQEFD-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOCC1CCCC1 ZINC000459446227 388244237 /nfs/dbraw/zinc/24/42/37/388244237.db2.gz PATIWSJDHLQEFD-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCSCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000449629611 388245871 /nfs/dbraw/zinc/24/58/71/388245871.db2.gz KZSTWGQNMNLIEM-QMMMGPOBSA-N 1 2 227.320 1.687 20 0 BDADLO CCSCC[N@H+](CC(F)F)C[C@H](C)O ZINC000449629611 388245873 /nfs/dbraw/zinc/24/58/73/388245873.db2.gz KZSTWGQNMNLIEM-QMMMGPOBSA-N 1 2 227.320 1.687 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CC(C(C)(C)C)C1)[C@H](C)O ZINC000459514108 388245972 /nfs/dbraw/zinc/24/59/72/388245972.db2.gz RYXCYTRVPKLCSA-PMUOWJKOSA-N 1 2 243.347 1.323 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000449632247 388246097 /nfs/dbraw/zinc/24/60/97/388246097.db2.gz QTSXZQCDDPXJDT-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000449632247 388246099 /nfs/dbraw/zinc/24/60/99/388246099.db2.gz QTSXZQCDDPXJDT-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO CCCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449645081 388247894 /nfs/dbraw/zinc/24/78/94/388247894.db2.gz IANKHQGIMCGOMR-VIFPVBQESA-N 1 2 234.290 1.538 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)[nH]1 ZINC000451577333 388282793 /nfs/dbraw/zinc/28/27/93/388282793.db2.gz VQIDLISIHNHQNC-ZJUUUORDSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)[nH]1 ZINC000451577333 388282794 /nfs/dbraw/zinc/28/27/94/388282794.db2.gz VQIDLISIHNHQNC-ZJUUUORDSA-N 1 2 238.335 1.224 20 0 BDADLO CO[C@H](C)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451586246 388283096 /nfs/dbraw/zinc/28/30/96/388283096.db2.gz GGSWKGZIOZBXAP-MNOVXSKESA-N 1 2 231.336 1.587 20 0 BDADLO CCSCC[NH2+]C1(C(=O)OC)CCOCC1 ZINC000451758640 388294016 /nfs/dbraw/zinc/29/40/16/388294016.db2.gz QWGHBJOJUOICOH-UHFFFAOYSA-N 1 2 247.360 1.051 20 0 BDADLO O=C(/C=C/c1cncc(F)c1)NCc1[nH]cc[nH+]1 ZINC000491895575 388326755 /nfs/dbraw/zinc/32/67/55/388326755.db2.gz PRJPZRSPTSCUMN-OWOJBTEDSA-N 1 2 246.245 1.273 20 0 BDADLO O=C(/C=C\C1CC1)NCCCCn1cc[nH+]c1 ZINC000491907370 388327093 /nfs/dbraw/zinc/32/70/93/388327093.db2.gz JRYLVCVZQAVUOB-WAYWQWQTSA-N 1 2 233.315 1.746 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@H](C)OC ZINC000492005945 388330966 /nfs/dbraw/zinc/33/09/66/388330966.db2.gz UWXQPNDUNVDGSE-OMMCCPJFSA-N 1 2 237.303 1.067 20 0 BDADLO Cc1ccc(/C=C\C(=O)NCc2[nH+]ccn2C)o1 ZINC000492313882 388341052 /nfs/dbraw/zinc/34/10/52/388341052.db2.gz SGYRPZUECUWJGV-WAYWQWQTSA-N 1 2 245.282 1.651 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cccnc1 ZINC000492315261 388341249 /nfs/dbraw/zinc/34/12/49/388341249.db2.gz ANIMTFFBKZOGBF-WAYWQWQTSA-N 1 2 242.282 1.950 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(C)(OC)C1 ZINC000492388365 388343313 /nfs/dbraw/zinc/34/33/13/388343313.db2.gz CEPPGLFGDHOJFA-WAYWQWQTSA-N 1 2 249.314 1.164 20 0 BDADLO C[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000275646331 388345265 /nfs/dbraw/zinc/34/52/65/388345265.db2.gz BMMINHHAQXASHA-SNVBAGLBSA-N 1 2 227.691 1.644 20 0 BDADLO COC1(CC(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000276873743 388351107 /nfs/dbraw/zinc/35/11/07/388351107.db2.gz KJWKLHVNCHUZFB-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](CO)C2)o1 ZINC000304341726 388358639 /nfs/dbraw/zinc/35/86/39/388358639.db2.gz XAASLHARIKGXOA-SNVBAGLBSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](CO)C2)o1 ZINC000304341726 388358641 /nfs/dbraw/zinc/35/86/41/388358641.db2.gz XAASLHARIKGXOA-SNVBAGLBSA-N 1 2 239.319 1.397 20 0 BDADLO C[C@@H]1C[NH+](C/C=C/Cl)C[C@@H](C)C1=O ZINC000575524539 388358701 /nfs/dbraw/zinc/35/87/01/388358701.db2.gz DCNNXVHZUSYWGS-HUGTUPKYSA-N 1 2 201.697 1.896 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)Cn1cc[nH+]c1 ZINC000519109808 256643054 /nfs/dbraw/zinc/64/30/54/256643054.db2.gz MRDQRPXIABGURI-SNVBAGLBSA-N 1 2 221.304 1.530 20 0 BDADLO Cn1cc[nH+]c1CSc1nccnc1N ZINC000236065382 388377193 /nfs/dbraw/zinc/37/71/93/388377193.db2.gz RCACZRKVCAPDAR-UHFFFAOYSA-N 1 2 221.289 1.085 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2cscn2)cn1 ZINC000164739473 388383383 /nfs/dbraw/zinc/38/33/83/388383383.db2.gz PLZQNIBXVVFFMF-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)C[C@H](C)O ZINC000236916889 388386456 /nfs/dbraw/zinc/38/64/56/388386456.db2.gz SZQFCAJKTIPRAI-VWYCJHECSA-N 1 2 244.379 1.273 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000236934933 388386924 /nfs/dbraw/zinc/38/69/24/388386924.db2.gz GEIHVVUUPCIYIU-SBMIAAHKSA-N 1 2 228.336 1.044 20 0 BDADLO CC[C@@H](CNC(=O)C[NH3+])c1ccccc1 ZINC000236955233 388386946 /nfs/dbraw/zinc/38/69/46/388386946.db2.gz CKYIWMXBQFMYRK-JTQLQIEISA-N 1 2 206.289 1.255 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000646602429 388393357 /nfs/dbraw/zinc/39/33/57/388393357.db2.gz MRXPYNOBWKUIDD-LLVKDONJSA-N 1 2 235.331 1.704 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000492263647 388339717 /nfs/dbraw/zinc/33/97/17/388339717.db2.gz NMGMWIHFYQNPDK-QMAVJUDZSA-N 1 2 245.326 1.702 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1O ZINC000335358838 388449751 /nfs/dbraw/zinc/44/97/51/388449751.db2.gz HJRYBLXWMFXKGO-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1O ZINC000335358838 388449753 /nfs/dbraw/zinc/44/97/53/388449753.db2.gz HJRYBLXWMFXKGO-VXGBXAGGSA-N 1 2 243.253 1.156 20 0 BDADLO CC[C@@](C)(CNc1nc[nH+]c(N)c1Cl)OC ZINC000322899597 388450004 /nfs/dbraw/zinc/45/00/04/388450004.db2.gz CXOQWCCYVAYZPM-JTQLQIEISA-N 1 2 244.726 1.939 20 0 BDADLO CC[C@@](C)(CNc1[nH+]cnc(N)c1Cl)OC ZINC000322899597 388450007 /nfs/dbraw/zinc/45/00/07/388450007.db2.gz CXOQWCCYVAYZPM-JTQLQIEISA-N 1 2 244.726 1.939 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(O)c(C)c1 ZINC000335645046 388452468 /nfs/dbraw/zinc/45/24/68/388452468.db2.gz LKCOHDPGYQMHDS-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO CC(C)c1nc(N[C@H]2CCCCNC2=O)cc[nH+]1 ZINC000301211163 388456436 /nfs/dbraw/zinc/45/64/36/388456436.db2.gz WTPIKFDCIRVXMQ-JTQLQIEISA-N 1 2 248.330 1.681 20 0 BDADLO CC/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649226260 388462958 /nfs/dbraw/zinc/46/29/58/388462958.db2.gz JJVGLANJWCKLLM-BYCRGOAPSA-N 1 2 233.315 1.528 20 0 BDADLO C[C@H](C[N@H+](C)Cc1ccsc1)S(C)(=O)=O ZINC000649231592 388463686 /nfs/dbraw/zinc/46/36/86/388463686.db2.gz NILANHMHCXNIBT-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1ccsc1)S(C)(=O)=O ZINC000649231592 388463688 /nfs/dbraw/zinc/46/36/88/388463688.db2.gz NILANHMHCXNIBT-SECBINFHSA-N 1 2 247.385 1.613 20 0 BDADLO C[C@H](C[NH2+]Cc1ccn[nH]1)C(F)(F)F ZINC000336695667 388463950 /nfs/dbraw/zinc/46/39/50/388463950.db2.gz SVPIYNURDOYTPE-ZCFIWIBFSA-N 1 2 207.199 1.698 20 0 BDADLO C[C@@H]1CC[C@H](C)N1c1[nH+]cnc2c1cnn2C ZINC000176920777 388466504 /nfs/dbraw/zinc/46/65/04/388466504.db2.gz MZCFATDHNSVDPN-DTORHVGOSA-N 1 2 231.303 1.741 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@]1(C)C(C)C)C(=O)OC ZINC000397412541 388468628 /nfs/dbraw/zinc/46/86/28/388468628.db2.gz YISSZDJXIAVCOH-HOSYDEDBSA-N 1 2 213.321 1.962 20 0 BDADLO CC[C@@H]([NH2+]Cc1n[nH]c2ccccc12)C(=O)NC ZINC000648864751 388473936 /nfs/dbraw/zinc/47/39/36/388473936.db2.gz SGSFIBUWMCPCMS-SNVBAGLBSA-N 1 2 246.314 1.177 20 0 BDADLO CC[C@@H](NC(=O)c1ccn(CC)n1)c1[nH]cc[nH+]1 ZINC000648863817 388475217 /nfs/dbraw/zinc/47/52/17/388475217.db2.gz YSZSZLDLBBGTFG-SECBINFHSA-N 1 2 247.302 1.507 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000195514395 388475916 /nfs/dbraw/zinc/47/59/16/388475916.db2.gz XXKOIWDCDVSEOI-JTQLQIEISA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H](C)CCC(=O)NCCc1c[nH+]cn1C ZINC000575975823 388476303 /nfs/dbraw/zinc/47/63/03/388476303.db2.gz DMTWGUOKZIJMSX-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO COc1nccc(C[NH2+]Cc2occc2C)n1 ZINC000296125168 388418245 /nfs/dbraw/zinc/41/82/45/388418245.db2.gz TYVILLLFYYVZEH-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C[C@H]1CC[N@H+](CC[C@H]2CCNC2=O)CC1(F)F ZINC000573102188 388419412 /nfs/dbraw/zinc/41/94/12/388419412.db2.gz SRETZNZVOWYHFP-VHSXEESVSA-N 1 2 246.301 1.490 20 0 BDADLO C[C@H]1CC[N@@H+](CC[C@H]2CCNC2=O)CC1(F)F ZINC000573102188 388419415 /nfs/dbraw/zinc/41/94/15/388419415.db2.gz SRETZNZVOWYHFP-VHSXEESVSA-N 1 2 246.301 1.490 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000573181676 388428962 /nfs/dbraw/zinc/42/89/62/388428962.db2.gz UQXPGDPXIMBPQZ-GDNZZTSVSA-N 1 2 231.299 1.732 20 0 BDADLO CC[C@](C)(C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000322508290 388437168 /nfs/dbraw/zinc/43/71/68/388437168.db2.gz IEJAPBFGWBEFRU-ZYHUDNBSSA-N 1 2 229.320 1.343 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424913 388537264 /nfs/dbraw/zinc/53/72/64/388537264.db2.gz CTGODBNODIECLX-AOOOYVTPSA-N 1 2 222.336 1.979 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424913 388537267 /nfs/dbraw/zinc/53/72/67/388537267.db2.gz CTGODBNODIECLX-AOOOYVTPSA-N 1 2 222.336 1.979 20 0 BDADLO CC(C)[C@@H](C)N(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548583274 388547159 /nfs/dbraw/zinc/54/71/59/388547159.db2.gz IKAAIYZIFKDPTB-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO COC(C[N@H+](C)Cc1nccs1)OC ZINC000136777140 388548367 /nfs/dbraw/zinc/54/83/67/388548367.db2.gz CEPAKFLXNSBTNM-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO COC(C[N@@H+](C)Cc1nccs1)OC ZINC000136777140 388548369 /nfs/dbraw/zinc/54/83/69/388548369.db2.gz CEPAKFLXNSBTNM-UHFFFAOYSA-N 1 2 216.306 1.194 20 0 BDADLO CCCC[C@H]([NH2+]CC(C)(C)OC)C(=O)OC ZINC000135232223 388485668 /nfs/dbraw/zinc/48/56/68/388485668.db2.gz LLLSYFBGGOXFIV-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H]2CCC[C@H]2F)nn1 ZINC000339590029 388486567 /nfs/dbraw/zinc/48/65/67/388486567.db2.gz MSCFQPCFPXNNCZ-MNOVXSKESA-N 1 2 226.299 1.839 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000547836159 388491842 /nfs/dbraw/zinc/49/18/42/388491842.db2.gz AZVFRWCMDWKJBX-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000547836159 388491843 /nfs/dbraw/zinc/49/18/43/388491843.db2.gz AZVFRWCMDWKJBX-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO C/C=C/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000135354835 388492595 /nfs/dbraw/zinc/49/25/95/388492595.db2.gz GHDPNERCKDKCHA-MQQKCMAXSA-N 1 2 205.261 1.201 20 0 BDADLO CC[C@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000341023166 388494251 /nfs/dbraw/zinc/49/42/51/388494251.db2.gz RYBDTACWICVYLF-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000341023166 388494254 /nfs/dbraw/zinc/49/42/54/388494254.db2.gz RYBDTACWICVYLF-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO COC(C)(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000178091564 388496230 /nfs/dbraw/zinc/49/62/30/388496230.db2.gz BNVJMQJEIANYAG-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CC[C@]1(C)C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000135588073 388501010 /nfs/dbraw/zinc/50/10/10/388501010.db2.gz WWJUVPSDINWFSK-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@]1(C)C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000135588073 388501015 /nfs/dbraw/zinc/50/10/15/388501015.db2.gz WWJUVPSDINWFSK-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@@H]([NH2+]CC1=CCOCC1)C(=O)OCC ZINC000397807846 388501099 /nfs/dbraw/zinc/50/10/99/388501099.db2.gz YJBPSBSEPBUSEQ-GFCCVEGCSA-N 1 2 241.331 1.655 20 0 BDADLO CCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000548008885 388503113 /nfs/dbraw/zinc/50/31/13/388503113.db2.gz QKGOVIKAYFUWBT-MRVPVSSYSA-N 1 2 210.281 1.283 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)CCc1nccs1 ZINC000179066191 388511498 /nfs/dbraw/zinc/51/14/98/388511498.db2.gz RCQAFISFXIBJBT-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)CCc1nccs1 ZINC000179066191 388511499 /nfs/dbraw/zinc/51/14/99/388511499.db2.gz RCQAFISFXIBJBT-SECBINFHSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CS[C@@H](C)C1)C1CC1 ZINC000397927449 388511896 /nfs/dbraw/zinc/51/18/96/388511896.db2.gz KQOFHTQLNDELSK-FXBDTBDDSA-N 1 2 229.345 1.422 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)CCO1 ZINC000528512466 388512783 /nfs/dbraw/zinc/51/27/83/388512783.db2.gz LQZJMMXLTFZPLF-SNVBAGLBSA-N 1 2 239.290 1.539 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)CCO1 ZINC000528512466 388512786 /nfs/dbraw/zinc/51/27/86/388512786.db2.gz LQZJMMXLTFZPLF-SNVBAGLBSA-N 1 2 239.290 1.539 20 0 BDADLO C[N@H+](Cc1ncccc1Cl)[C@H]1CCOC1 ZINC000528380107 388518074 /nfs/dbraw/zinc/51/80/74/388518074.db2.gz NMFXIEMJOPDLKF-VIFPVBQESA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1ncccc1Cl)[C@H]1CCOC1 ZINC000528380107 388518075 /nfs/dbraw/zinc/51/80/75/388518075.db2.gz NMFXIEMJOPDLKF-VIFPVBQESA-N 1 2 226.707 1.956 20 0 BDADLO CC(C)CC1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000548191198 388520396 /nfs/dbraw/zinc/52/03/96/388520396.db2.gz IWYATELEUQASFW-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)C1CCCCC1 ZINC000548191675 388520410 /nfs/dbraw/zinc/52/04/10/388520410.db2.gz HFIVIQSZOCEQGP-UHFFFAOYSA-N 1 2 235.331 1.754 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ncccn2)cn1 ZINC000516938601 388526363 /nfs/dbraw/zinc/52/63/63/388526363.db2.gz SRYXZOZTRDZYQX-UHFFFAOYSA-N 1 2 231.303 1.373 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000548301495 388527035 /nfs/dbraw/zinc/52/70/35/388527035.db2.gz XTVNBISWHXWDNI-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000548301495 388527036 /nfs/dbraw/zinc/52/70/36/388527036.db2.gz XTVNBISWHXWDNI-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CCCCO)n1 ZINC000349924065 388528906 /nfs/dbraw/zinc/52/89/06/388528906.db2.gz ZRSILDVGBDMSJM-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CCCCO)n1 ZINC000349924065 388528910 /nfs/dbraw/zinc/52/89/10/388528910.db2.gz ZRSILDVGBDMSJM-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCn2ncnc2C1 ZINC000528451657 388529099 /nfs/dbraw/zinc/52/90/99/388529099.db2.gz LUILUVSYSDVMLV-KRXBUXKQSA-N 1 2 212.684 1.236 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCn2ncnc2C1 ZINC000528451657 388529100 /nfs/dbraw/zinc/52/91/00/388529100.db2.gz LUILUVSYSDVMLV-KRXBUXKQSA-N 1 2 212.684 1.236 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000516981823 388530706 /nfs/dbraw/zinc/53/07/06/388530706.db2.gz WVIILOQFSKDRNS-AOOOYVTPSA-N 1 2 221.304 1.707 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000528479989 388532589 /nfs/dbraw/zinc/53/25/89/388532589.db2.gz XAGCAQUETVYMMV-IPQKIJNHSA-N 1 2 226.711 1.797 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000528479989 388532592 /nfs/dbraw/zinc/53/25/92/388532592.db2.gz XAGCAQUETVYMMV-IPQKIJNHSA-N 1 2 226.711 1.797 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000528479991 388532684 /nfs/dbraw/zinc/53/26/84/388532684.db2.gz XAGCAQUETVYMMV-PTDYZRSTSA-N 1 2 226.711 1.797 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCn2cnnc2[C@H]1C ZINC000528479991 388532687 /nfs/dbraw/zinc/53/26/87/388532687.db2.gz XAGCAQUETVYMMV-PTDYZRSTSA-N 1 2 226.711 1.797 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C[C@H]1C=CCCC1 ZINC000548636222 388550277 /nfs/dbraw/zinc/55/02/77/388550277.db2.gz VKCAEYMUINTPGA-LBPRGKRZSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1cc(=NC(=O)C[NH2+]C(C)C)[nH]n1C(C)C ZINC000516315548 256772153 /nfs/dbraw/zinc/77/21/53/256772153.db2.gz NPXRUORMDQTFLV-UHFFFAOYSA-N 1 2 238.335 1.131 20 0 BDADLO c1coc([C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)c1 ZINC000649307593 388593733 /nfs/dbraw/zinc/59/37/33/388593733.db2.gz GRAZNFVIMSRVFP-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)c1 ZINC000649307593 388593735 /nfs/dbraw/zinc/59/37/35/388593735.db2.gz GRAZNFVIMSRVFP-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)c1 ZINC000649307593 388593738 /nfs/dbraw/zinc/59/37/38/388593738.db2.gz GRAZNFVIMSRVFP-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)c1 ZINC000649307593 388593740 /nfs/dbraw/zinc/59/37/40/388593740.db2.gz GRAZNFVIMSRVFP-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)c1 ZINC000649307593 388593743 /nfs/dbraw/zinc/59/37/43/388593743.db2.gz GRAZNFVIMSRVFP-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)c1 ZINC000649307593 388593745 /nfs/dbraw/zinc/59/37/45/388593745.db2.gz GRAZNFVIMSRVFP-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO COC(=O)c1cc(C[NH2+]CC(C)(F)F)cn1C ZINC000550259473 388603355 /nfs/dbraw/zinc/60/33/55/388603355.db2.gz UZKHQKCEEFUIJO-UHFFFAOYSA-N 1 2 246.257 1.557 20 0 BDADLO COC(=O)N1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000301156981 388606337 /nfs/dbraw/zinc/60/63/37/388606337.db2.gz GEQQTSJIQNDVHZ-JTQLQIEISA-N 1 2 235.287 1.724 20 0 BDADLO CC(C)(C(=O)NCCCF)c1c[nH]c[nH+]1 ZINC000548745681 388555873 /nfs/dbraw/zinc/55/58/73/388555873.db2.gz XQFSTGKLLNAQNO-UHFFFAOYSA-N 1 2 213.256 1.163 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N(C)CC(F)(F)F ZINC000548752557 388556271 /nfs/dbraw/zinc/55/62/71/388556271.db2.gz FIUPRCJUIGPRAZ-HTQZYQBOSA-N 1 2 238.253 1.490 20 0 BDADLO CCCCn1nnnc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548753482 388556305 /nfs/dbraw/zinc/55/63/05/388556305.db2.gz ZZVGABJVUFAEKT-UWVGGRQHSA-N 1 2 223.324 1.456 20 0 BDADLO CCCn1ncnc1C[NH+]1[C@H](C)C[C@H]1C ZINC000548754873 388557578 /nfs/dbraw/zinc/55/75/78/388557578.db2.gz UNJKPWGYMLPCJN-NXEZZACHSA-N 1 2 208.309 1.671 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000528717754 388560349 /nfs/dbraw/zinc/56/03/49/388560349.db2.gz GJNHLYDSIXATKH-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000528717754 388560350 /nfs/dbraw/zinc/56/03/50/388560350.db2.gz GJNHLYDSIXATKH-ZDUSSCGKSA-N 1 2 236.315 1.319 20 0 BDADLO CCn1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000521083561 388561793 /nfs/dbraw/zinc/56/17/93/388561793.db2.gz GWSNPGOBBBWCFU-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO CCSCCCNC(=O)Cc1c[nH+]cn1C ZINC000548813668 388563223 /nfs/dbraw/zinc/56/32/23/388563223.db2.gz JQUMIQWNXPCSOB-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO Cc1nnc(C[NH+]2CCC(OC(C)C)CC2)[nH]1 ZINC000521248881 388566500 /nfs/dbraw/zinc/56/65/00/388566500.db2.gz STLXCFPTDSMVDM-UHFFFAOYSA-N 1 2 238.335 1.503 20 0 BDADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cncs1 ZINC000521301755 388568254 /nfs/dbraw/zinc/56/82/54/388568254.db2.gz YIRZTNKKXRNADW-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cncs1 ZINC000521301755 388568257 /nfs/dbraw/zinc/56/82/57/388568257.db2.gz YIRZTNKKXRNADW-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nncn1C ZINC000528768596 388570557 /nfs/dbraw/zinc/57/05/57/388570557.db2.gz LWJBGOXISAVTSB-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nncn1C ZINC000528768596 388570560 /nfs/dbraw/zinc/57/05/60/388570560.db2.gz LWJBGOXISAVTSB-QMMMGPOBSA-N 1 2 230.262 1.435 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)C[C@H]2C)[nH]1 ZINC000528775536 388571063 /nfs/dbraw/zinc/57/10/63/388571063.db2.gz YWARBXIOXNYYCW-SSDOTTSWSA-N 1 2 230.262 1.733 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)C[C@H]2C)[nH]1 ZINC000528775536 388571064 /nfs/dbraw/zinc/57/10/64/388571064.db2.gz YWARBXIOXNYYCW-SSDOTTSWSA-N 1 2 230.262 1.733 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000218202174 388577847 /nfs/dbraw/zinc/57/78/47/388577847.db2.gz VPZXWDMOJLLIKR-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000218202174 388577850 /nfs/dbraw/zinc/57/78/50/388577850.db2.gz VPZXWDMOJLLIKR-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1csnn1 ZINC000398294856 388686260 /nfs/dbraw/zinc/68/62/60/388686260.db2.gz RDILMWMHQQCGBN-SECBINFHSA-N 1 2 249.339 1.881 20 0 BDADLO CCc1cc(C)c(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000125547315 388673687 /nfs/dbraw/zinc/67/36/87/388673687.db2.gz CFICAYFYPILOMS-UHFFFAOYSA-N 1 2 233.271 1.804 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](C)CC2)[nH]1 ZINC000192191584 388676871 /nfs/dbraw/zinc/67/68/71/388676871.db2.gz GBZXIQJOTSBBEI-SECBINFHSA-N 1 2 240.376 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](C)CC2)[nH]1 ZINC000192191584 388676873 /nfs/dbraw/zinc/67/68/73/388676873.db2.gz GBZXIQJOTSBBEI-SECBINFHSA-N 1 2 240.376 1.695 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000521637486 388621836 /nfs/dbraw/zinc/62/18/36/388621836.db2.gz SYGVVZKQTSLRNM-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1ccc(CCNC(=O)Cn2cc[nH+]c2)cc1 ZINC000521710202 388625964 /nfs/dbraw/zinc/62/59/64/388625964.db2.gz ITKPQVUTJYNGKV-UHFFFAOYSA-N 1 2 243.310 1.550 20 0 BDADLO Cc1ccc[nH+]c1CCNc1cccnn1 ZINC000405094359 388637824 /nfs/dbraw/zinc/63/78/24/388637824.db2.gz RKORKLVDZODDDD-UHFFFAOYSA-N 1 2 214.272 1.257 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCOC1(C)C ZINC000328364882 388641942 /nfs/dbraw/zinc/64/19/42/388641942.db2.gz GNALQOHKGXOHHP-QWRGUYRKSA-N 1 2 243.347 1.731 20 0 BDADLO CC[NH+](CC)Cc1nc(C(=O)OC)cs1 ZINC000328365254 388642185 /nfs/dbraw/zinc/64/21/85/388642185.db2.gz QVOUQCOYNIIOIR-UHFFFAOYSA-N 1 2 228.317 1.772 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccncc1)C(C)C ZINC000037661384 388646085 /nfs/dbraw/zinc/64/60/85/388646085.db2.gz QQTDMSZULFMPMI-LBPRGKRZSA-N 1 2 236.315 1.411 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCc1ccccc1 ZINC000620409414 388646942 /nfs/dbraw/zinc/64/69/42/388646942.db2.gz FMRRFKKLAQIDBU-UHFFFAOYSA-N 1 2 243.310 1.980 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](CCOC(C)C)C1CC1 ZINC000190815820 388657007 /nfs/dbraw/zinc/65/70/07/388657007.db2.gz WWYIMDXZEINQAJ-LLVKDONJSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](CCOC(C)C)C1CC1 ZINC000190815820 388657010 /nfs/dbraw/zinc/65/70/10/388657010.db2.gz WWYIMDXZEINQAJ-LLVKDONJSA-N 1 2 243.347 1.827 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)NCCCF ZINC000123886868 388657812 /nfs/dbraw/zinc/65/78/12/388657812.db2.gz WWUVDQSUKCHHBG-UHFFFAOYSA-N 1 2 242.298 1.274 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000123893919 388659224 /nfs/dbraw/zinc/65/92/24/388659224.db2.gz JDIZMVDKLWENIC-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000123893919 388659226 /nfs/dbraw/zinc/65/92/26/388659226.db2.gz JDIZMVDKLWENIC-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000301659339 388659298 /nfs/dbraw/zinc/65/92/98/388659298.db2.gz MDLHAIUPCILTCR-JTQLQIEISA-N 1 2 205.261 1.114 20 0 BDADLO Cc1oc(C2CC2)nc1C(=O)NCc1[nH]cc[nH+]1 ZINC000552021090 388659421 /nfs/dbraw/zinc/65/94/21/388659421.db2.gz HZMHESNWBWZHPS-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO CS[C@@H](CO)[C@@H](C)Nc1cccc[nH+]1 ZINC000227058647 388738413 /nfs/dbraw/zinc/73/84/13/388738413.db2.gz SDHUBWAPEHSQOZ-BDAKNGLRSA-N 1 2 212.318 1.606 20 0 BDADLO CC[C@H]1CC[C@@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000552875670 388739633 /nfs/dbraw/zinc/73/96/33/388739633.db2.gz AZBBCMXAIAGDEL-MNOVXSKESA-N 1 2 221.304 1.673 20 0 BDADLO CC[NH+](CC)CC(=O)N=c1cc2ccccn2[nH]1 ZINC000552994548 388744482 /nfs/dbraw/zinc/74/44/82/388744482.db2.gz WZNHOBUJSUAUTF-UHFFFAOYSA-N 1 2 246.314 1.037 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cnccn1 ZINC000539063520 388746113 /nfs/dbraw/zinc/74/61/13/388746113.db2.gz JIDCHFITGGUFHH-GXSJLCMTSA-N 1 2 243.314 1.928 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nnc(C)s1 ZINC000539103418 388748412 /nfs/dbraw/zinc/74/84/12/388748412.db2.gz CXOUGGBJSHJBFX-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000539103418 388748415 /nfs/dbraw/zinc/74/84/15/388748415.db2.gz CXOUGGBJSHJBFX-UHFFFAOYSA-N 1 2 229.349 1.703 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248864187 388696534 /nfs/dbraw/zinc/69/65/34/388696534.db2.gz AREDCPQVQARCIE-WCQYABFASA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000248864187 388696537 /nfs/dbraw/zinc/69/65/37/388696537.db2.gz AREDCPQVQARCIE-WCQYABFASA-N 1 2 242.363 1.402 20 0 BDADLO CCOC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000126588439 388698244 /nfs/dbraw/zinc/69/82/44/388698244.db2.gz JOKWVDDMVFEJOF-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO CCOC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000126588439 388698246 /nfs/dbraw/zinc/69/82/46/388698246.db2.gz JOKWVDDMVFEJOF-SNVBAGLBSA-N 1 2 241.360 1.787 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000552374303 388698950 /nfs/dbraw/zinc/69/89/50/388698950.db2.gz OXGKCCYYJAIIAT-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)CCO1 ZINC000552374303 388698951 /nfs/dbraw/zinc/69/89/51/388698951.db2.gz OXGKCCYYJAIIAT-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)OC)CCO1 ZINC000248966980 388702042 /nfs/dbraw/zinc/70/20/42/388702042.db2.gz RZARGBBIUCFBRU-MWLCHTKSSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)OC)CCO1 ZINC000248966980 388702045 /nfs/dbraw/zinc/70/20/45/388702045.db2.gz RZARGBBIUCFBRU-MWLCHTKSSA-N 1 2 215.293 1.049 20 0 BDADLO CCCn1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000127013419 388711195 /nfs/dbraw/zinc/71/11/95/388711195.db2.gz MZIHUKYXZPMCHB-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1nc(CC[N@@H+]2CCC(=O)[C@@H](C)C2)cs1 ZINC000226363734 388715964 /nfs/dbraw/zinc/71/59/64/388715964.db2.gz ZLBKPWZPQPOQCA-VIFPVBQESA-N 1 2 238.356 1.905 20 0 BDADLO Cc1nc(CC[N@H+]2CCC(=O)[C@@H](C)C2)cs1 ZINC000226363734 388715967 /nfs/dbraw/zinc/71/59/67/388715967.db2.gz ZLBKPWZPQPOQCA-VIFPVBQESA-N 1 2 238.356 1.905 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C)c1[nH]cc[nH+]1 ZINC000552559148 388725346 /nfs/dbraw/zinc/72/53/46/388725346.db2.gz QREBACKHAGQTEJ-HRDYMLBCSA-N 1 2 223.276 1.012 20 0 BDADLO Cc1cc(N)nc(SCC(=O)c2ccc[nH]2)[nH+]1 ZINC000194448003 388733099 /nfs/dbraw/zinc/73/30/99/388733099.db2.gz AVIKVIBCXDQVGR-UHFFFAOYSA-N 1 2 248.311 1.670 20 0 BDADLO FC(F)(F)[C@@H](NCc1[nH]cc[nH+]1)C1CC1 ZINC000288562981 388803063 /nfs/dbraw/zinc/80/30/63/388803063.db2.gz YYBCSJWYFOUSJP-QMMMGPOBSA-N 1 2 219.210 1.840 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cccn1C ZINC000092399743 388803349 /nfs/dbraw/zinc/80/33/49/388803349.db2.gz FDKQDCYZGLSSMZ-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cccn1C ZINC000092399743 388803353 /nfs/dbraw/zinc/80/33/53/388803353.db2.gz FDKQDCYZGLSSMZ-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO Cc1cc(N2CC[C@@H](O)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000253146751 388806754 /nfs/dbraw/zinc/80/67/54/388806754.db2.gz ZBMDGWUZILSVSS-JOYOIKCWSA-N 1 2 247.342 1.870 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CCCCS1)C1CC1 ZINC000230059411 388810921 /nfs/dbraw/zinc/81/09/21/388810921.db2.gz IIYMYKDZXIWRAL-GHMZBOCLSA-N 1 2 243.372 1.813 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000553372707 388767101 /nfs/dbraw/zinc/76/71/01/388767101.db2.gz BXWSCOYCWFFVDD-NSHDSACASA-N 1 2 248.326 1.979 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnoc1C ZINC000128657303 388779521 /nfs/dbraw/zinc/77/95/21/388779521.db2.gz MRKKKZLQJQWYGF-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnoc1C ZINC000128657303 388779524 /nfs/dbraw/zinc/77/95/24/388779524.db2.gz MRKKKZLQJQWYGF-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CCc1ncc(NC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000553531720 388781596 /nfs/dbraw/zinc/78/15/96/388781596.db2.gz DNKHRQKEZDWAEH-UHFFFAOYSA-N 1 2 248.330 1.319 20 0 BDADLO Cc1cc(NC[C@]2(C)CCO[C@@H]2C2CC2)nc[nH+]1 ZINC000341965922 177707273 /nfs/dbraw/zinc/70/72/73/177707273.db2.gz VJEJCKYASKJKNB-KGLIPLIRSA-N 1 2 247.342 1.824 20 0 BDADLO Cn1cc[nH+]c1CN[C@H](C1CC1)C(F)(F)F ZINC000288543899 388791339 /nfs/dbraw/zinc/79/13/39/388791339.db2.gz WXTZIGQUCRUSCE-SECBINFHSA-N 1 2 233.237 1.851 20 0 BDADLO Cc1cc(N[C@]2(C)CCO[C@H]2C)nc[nH+]1 ZINC000230098991 388814691 /nfs/dbraw/zinc/81/46/91/388814691.db2.gz XJAQAZVQTVXPLJ-GXSJLCMTSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(NCC[C@@H]2CCOC2)cc[nH+]1 ZINC000230104233 388815687 /nfs/dbraw/zinc/81/56/87/388815687.db2.gz MLNYWDIISZOBHP-SNVBAGLBSA-N 1 2 207.277 1.624 20 0 BDADLO Cc1cc(NCCC[C@@H](C)CO)nc[nH+]1 ZINC000230148052 388815813 /nfs/dbraw/zinc/81/58/13/388815813.db2.gz IKMMMKCLQQMUPI-SECBINFHSA-N 1 2 209.293 1.606 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cnoc1C ZINC000129119373 388817838 /nfs/dbraw/zinc/81/78/38/388817838.db2.gz AZGVFGWTIHMSAH-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cnoc1C ZINC000129119373 388817841 /nfs/dbraw/zinc/81/78/41/388817841.db2.gz AZGVFGWTIHMSAH-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO C[C@H]1CC(NC(=O)Cc2c[nH+]cn2C)C[C@H](C)C1 ZINC000554515164 388819424 /nfs/dbraw/zinc/81/94/24/388819424.db2.gz YAFFQCUYBHJAGS-GHMZBOCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCc1nc(C[NH+]2CCC([C@@H](C)O)CC2)no1 ZINC000225777299 388844295 /nfs/dbraw/zinc/84/42/95/388844295.db2.gz GNPFQVMUFCIQRW-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO COC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000554580910 388823139 /nfs/dbraw/zinc/82/31/39/388823139.db2.gz PMOIXXYAXYPKQF-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO CCc1nc(C[NH+]2CCC([C@H](C)O)CC2)no1 ZINC000225777319 388844439 /nfs/dbraw/zinc/84/44/39/388844439.db2.gz GNPFQVMUFCIQRW-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](OC(F)F)C2)s1 ZINC000555071778 388838752 /nfs/dbraw/zinc/83/87/52/388838752.db2.gz VUWSBAQPJSVJTK-ZETCQYMHSA-N 1 2 249.286 1.660 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](OC(F)F)C2)s1 ZINC000555071778 388838756 /nfs/dbraw/zinc/83/87/56/388838756.db2.gz VUWSBAQPJSVJTK-ZETCQYMHSA-N 1 2 249.286 1.660 20 0 BDADLO COC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000648768273 388854040 /nfs/dbraw/zinc/85/40/40/388854040.db2.gz YQOHQOPUPOBBOI-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO CC1=CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000555635149 388857202 /nfs/dbraw/zinc/85/72/02/388857202.db2.gz QULIRYHFFBDDFG-UHFFFAOYSA-N 1 2 205.261 1.062 20 0 BDADLO C[N@H+](CCC1CCOCC1)Cc1csnn1 ZINC000129684174 388864431 /nfs/dbraw/zinc/86/44/31/388864431.db2.gz VOYPHERSHVQANX-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO C[N@@H+](CCC1CCOCC1)Cc1csnn1 ZINC000129684174 388864435 /nfs/dbraw/zinc/86/44/35/388864435.db2.gz VOYPHERSHVQANX-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO CCC1(C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000564658717 388882898 /nfs/dbraw/zinc/88/28/98/388882898.db2.gz BZNSZESFHIKLQL-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649166345 388886136 /nfs/dbraw/zinc/88/61/36/388886136.db2.gz CCTZYFKCTXEZOP-GMTAPVOTSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649166345 388886139 /nfs/dbraw/zinc/88/61/39/388886139.db2.gz CCTZYFKCTXEZOP-GMTAPVOTSA-N 1 2 233.315 1.565 20 0 BDADLO CCn1nccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000565180639 388922481 /nfs/dbraw/zinc/92/24/81/388922481.db2.gz ISNKCLVVFWRTHT-JTQLQIEISA-N 1 2 236.319 1.182 20 0 BDADLO CO[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC000275932295 132205331 /nfs/dbraw/zinc/20/53/31/132205331.db2.gz FYFGNFYPQYHBOO-ONGXEEELSA-N 1 2 221.304 1.646 20 0 BDADLO C[C@H](CC(=O)NC1(C(F)F)CC1)n1cc[nH+]c1 ZINC000565483930 388949044 /nfs/dbraw/zinc/94/90/44/388949044.db2.gz SYYPBUGASWYXME-MRVPVSSYSA-N 1 2 243.257 1.748 20 0 BDADLO C[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000268011843 389002300 /nfs/dbraw/zinc/00/23/00/389002300.db2.gz WTDPSQSFGYYVSE-MRVPVSSYSA-N 1 2 203.245 1.423 20 0 BDADLO C[C@H](CCO)Nc1cc[nH+]c2ccncc12 ZINC000267921348 389002423 /nfs/dbraw/zinc/00/24/23/389002423.db2.gz CTURVFRSPZPZHP-SECBINFHSA-N 1 2 217.272 1.813 20 0 BDADLO O[C@@H](C[NH2+]Cc1ncccc1F)C(F)(F)F ZINC000566114192 388989030 /nfs/dbraw/zinc/98/90/30/388989030.db2.gz CACRCHYTZUXSGO-QMMMGPOBSA-N 1 2 238.184 1.234 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC1(C)C ZINC000269747186 389010352 /nfs/dbraw/zinc/01/03/52/389010352.db2.gz AYNQWYSQJSDOPR-QMMMGPOBSA-N 1 2 207.277 1.380 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cccc[nH+]2)[C@@H]1OC ZINC000272752318 389035188 /nfs/dbraw/zinc/03/51/88/389035188.db2.gz JZOFGXLEYAADAC-UMNHJUIQSA-N 1 2 222.288 1.686 20 0 BDADLO Cc1nc(N2CCC[C@H](O)[C@@H]2C)cc[nH+]1 ZINC000294920376 132307711 /nfs/dbraw/zinc/30/77/11/132307711.db2.gz GOGGWJNDURSACU-WPRPVWTQSA-N 1 2 207.277 1.135 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000295922144 169689197 /nfs/dbraw/zinc/68/91/97/169689197.db2.gz AFOHXZZDTFKQRV-VIFPVBQESA-N 1 2 241.360 1.408 20 0 BDADLO Cc1cc(N[C@@H]2CCCOCC2)nc[nH+]1 ZINC000308822075 322819444 /nfs/dbraw/zinc/81/94/44/322819444.db2.gz GVSOKWSJVPNDRM-SNVBAGLBSA-N 1 2 207.277 1.766 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1CCSC1 ZINC000494980834 533325249 /nfs/dbraw/zinc/32/52/49/533325249.db2.gz PGIKBZOYPSXGLP-SECBINFHSA-N 1 2 239.331 1.953 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1CCSC1 ZINC000494980834 533325250 /nfs/dbraw/zinc/32/52/50/533325250.db2.gz PGIKBZOYPSXGLP-SECBINFHSA-N 1 2 239.331 1.953 20 0 BDADLO CSC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000494305395 533473396 /nfs/dbraw/zinc/47/33/96/533473396.db2.gz AENUZIWNNUTZFR-UHFFFAOYSA-N 1 2 239.344 1.285 20 0 BDADLO CSCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762176 533558087 /nfs/dbraw/zinc/55/80/87/533558087.db2.gz HHSIGCRAKXUSGZ-PLNGDYQASA-N 1 2 239.344 1.634 20 0 BDADLO Cc1cc(N2CCC[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000264637887 132179026 /nfs/dbraw/zinc/17/90/26/132179026.db2.gz LYFOSFKDAKCBJO-NSHDSACASA-N 1 2 233.315 1.624 20 0 BDADLO Cc1nc(N2CCNC(=O)[C@@H]2CC(C)C)cc[nH+]1 ZINC000275513308 132205140 /nfs/dbraw/zinc/20/51/40/132205140.db2.gz VCYDRERYZKDODY-NSHDSACASA-N 1 2 248.330 1.136 20 0 BDADLO C[C@@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000277576659 132207454 /nfs/dbraw/zinc/20/74/54/132207454.db2.gz SAPHKPJLQWELQK-LLVKDONJSA-N 1 2 248.330 1.159 20 0 BDADLO C[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277576659 132207456 /nfs/dbraw/zinc/20/74/56/132207456.db2.gz SAPHKPJLQWELQK-LLVKDONJSA-N 1 2 248.330 1.159 20 0 BDADLO C[C@H]1CCCCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278342983 132207683 /nfs/dbraw/zinc/20/76/83/132207683.db2.gz JBEDNQXTBRBKNF-QMMMGPOBSA-N 1 2 246.318 1.324 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@]2(CCOC2)O1 ZINC000280245082 132210264 /nfs/dbraw/zinc/21/02/64/132210264.db2.gz MRWPGTMQHPDCQG-DGCLKSJQSA-N 1 2 234.299 1.466 20 0 BDADLO CCc1nc(N2CCO[C@@H](CC)C2)cc(C)[nH+]1 ZINC000283512704 132213064 /nfs/dbraw/zinc/21/30/64/132213064.db2.gz JPTGPUNGQJMGFU-NSHDSACASA-N 1 2 235.331 1.963 20 0 BDADLO CCOc1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000290590258 132217101 /nfs/dbraw/zinc/21/71/01/132217101.db2.gz CXUDAOHABFNGFW-UHFFFAOYSA-N 1 2 245.286 1.092 20 0 BDADLO C[C@@H]1C[C@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000341036117 132226084 /nfs/dbraw/zinc/22/60/84/132226084.db2.gz CLCVYVYDHYLBAX-GHMZBOCLSA-N 1 2 247.342 1.951 20 0 BDADLO Cc1cc(N2CCN(CC(F)F)CC2)nc[nH+]1 ZINC000301229035 132251669 /nfs/dbraw/zinc/25/16/69/132251669.db2.gz GQHFTOJHTIKNQH-UHFFFAOYSA-N 1 2 242.273 1.172 20 0 BDADLO OCCCOC1CCN(c2cccc[nH+]2)CC1 ZINC000301600478 132255375 /nfs/dbraw/zinc/25/53/75/132255375.db2.gz IMUXJCHDSLLICO-UHFFFAOYSA-N 1 2 236.315 1.449 20 0 BDADLO Cc1cc(N2CCOC3(CCC3)C2)nc[nH+]1 ZINC000301877659 132258729 /nfs/dbraw/zinc/25/87/29/132258729.db2.gz JECPEYUNVVJPQE-UHFFFAOYSA-N 1 2 219.288 1.544 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1O ZINC000301957888 132259046 /nfs/dbraw/zinc/25/90/46/132259046.db2.gz NJTHYUBWYUSKGF-ONGXEEELSA-N 1 2 233.315 1.561 20 0 BDADLO COCC1=CCN(c2cccc[nH+]2)CC1 ZINC000302390105 132263410 /nfs/dbraw/zinc/26/34/10/132263410.db2.gz JHPCQIBNYFENFF-UHFFFAOYSA-N 1 2 204.273 1.865 20 0 BDADLO Cc1nc(N2CC[C@@H](O)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000302377868 132263426 /nfs/dbraw/zinc/26/34/26/132263426.db2.gz GENWNVVZEIRGIQ-QPUJVOFHSA-N 1 2 235.331 1.609 20 0 BDADLO CC(=O)N[C@@H](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000302477921 132263774 /nfs/dbraw/zinc/26/37/74/132263774.db2.gz XNWKFNGMOSPSJA-NSHDSACASA-N 1 2 247.342 1.823 20 0 BDADLO C[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302551045 132264139 /nfs/dbraw/zinc/26/41/39/132264139.db2.gz JXRFDSINKOEPCH-QMMMGPOBSA-N 1 2 246.318 1.182 20 0 BDADLO Cc1cc(N2CCC[C@@H](n3cccn3)C2)nc[nH+]1 ZINC000110485452 132267641 /nfs/dbraw/zinc/26/76/41/132267641.db2.gz PQWHHDRGMBTWEJ-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)C[C@H]1O ZINC000357205408 132273020 /nfs/dbraw/zinc/27/30/20/132273020.db2.gz SSHHGXZIRYKZEM-QMTHXVAHSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@H]1C[C@H]1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000357325268 132273307 /nfs/dbraw/zinc/27/33/07/132273307.db2.gz MPBKFBVNAJHXGF-QWRGUYRKSA-N 1 2 248.330 1.381 20 0 BDADLO C[C@H]1C[C@H]1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000357325268 132273309 /nfs/dbraw/zinc/27/33/09/132273309.db2.gz MPBKFBVNAJHXGF-QWRGUYRKSA-N 1 2 248.330 1.381 20 0 BDADLO Cc1cc(N2C[C@H](C)O[C@@]3(CCOC3)C2)nc[nH+]1 ZINC000360247477 132278759 /nfs/dbraw/zinc/27/87/59/132278759.db2.gz BXETZVGNVFAJSM-AAEUAGOBSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@@H](C)[C@@H]2C)[nH+]1 ZINC000360870902 132279228 /nfs/dbraw/zinc/27/92/28/132279228.db2.gz KDRNACAGZYGGME-IUCAKERBSA-N 1 2 246.314 1.880 20 0 BDADLO c1cn(-c2cccc(N3CCSCC3)n2)c[nH+]1 ZINC000371998292 132285562 /nfs/dbraw/zinc/28/55/62/132285562.db2.gz JGKAHBVDRFVCKY-UHFFFAOYSA-N 1 2 246.339 1.821 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@]2(CCCOC2)O1 ZINC000373634275 132286285 /nfs/dbraw/zinc/28/62/85/132286285.db2.gz DSRHZFRQRFIADF-JSGCOSHPSA-N 1 2 248.326 1.856 20 0 BDADLO Cc1cc(N2CCC(C)(CO)CC2)nc[nH+]1 ZINC000302138908 132308504 /nfs/dbraw/zinc/30/85/04/132308504.db2.gz FWWHVQRYPRXADB-UHFFFAOYSA-N 1 2 221.304 1.384 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cn2)C[C@H]1C ZINC000302786824 132363783 /nfs/dbraw/zinc/36/37/83/132363783.db2.gz WNZHNFVDNAHADJ-MWLCHTKSSA-N 1 2 249.314 1.420 20 0 BDADLO O=C(c1ccccc1O)N1CC[NH+](C2CC2)CC1 ZINC000042491130 322838589 /nfs/dbraw/zinc/83/85/89/322838589.db2.gz NRAYULDGQSTUJM-UHFFFAOYSA-N 1 2 246.310 1.312 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000334264869 133608111 /nfs/dbraw/zinc/60/81/11/133608111.db2.gz LRQFSIREIODKBP-CMPLNLGQSA-N 1 2 243.310 1.792 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)[C@H]2CCCOC2)c[nH+]1 ZINC000334331654 133621643 /nfs/dbraw/zinc/62/16/43/133621643.db2.gz LOJCYGUNIYRDRW-SCZZXKLOSA-N 1 2 237.303 1.263 20 0 BDADLO OC1(C(F)F)C[NH+](Cc2ccccc2)C1 ZINC000335514554 133872168 /nfs/dbraw/zinc/87/21/68/133872168.db2.gz VBPPSWOLVOQZCT-UHFFFAOYSA-N 1 2 213.227 1.498 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000335521644 133874425 /nfs/dbraw/zinc/87/44/25/133874425.db2.gz BGWMZQGYKNZQMX-ZWNOBZJWSA-N 1 2 216.284 1.941 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2conc2C)CCO1 ZINC000335945342 134020063 /nfs/dbraw/zinc/02/00/63/134020063.db2.gz AZCSUCYYZNKHRY-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2conc2C)CCO1 ZINC000335945342 134020064 /nfs/dbraw/zinc/02/00/64/134020064.db2.gz AZCSUCYYZNKHRY-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000335959222 134024272 /nfs/dbraw/zinc/02/42/72/134024272.db2.gz UNIKZDZBYLLWBV-SNVBAGLBSA-N 1 2 223.251 1.720 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000335974121 134030613 /nfs/dbraw/zinc/03/06/13/134030613.db2.gz LVYKHFMDTKQNPX-QWRGUYRKSA-N 1 2 233.315 1.743 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cccc(O)c2)c[nH+]1 ZINC000335978871 134032454 /nfs/dbraw/zinc/03/24/54/134032454.db2.gz IHEVWVPCMINJFG-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352010065 134035303 /nfs/dbraw/zinc/03/53/03/134035303.db2.gz YRZSBNGMGXVTFY-IUCAKERBSA-N 1 2 235.274 1.915 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352010065 134035304 /nfs/dbraw/zinc/03/53/04/134035304.db2.gz YRZSBNGMGXVTFY-IUCAKERBSA-N 1 2 235.274 1.915 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000352015826 134036580 /nfs/dbraw/zinc/03/65/80/134036580.db2.gz SHUIMUCGXHSXOC-TUAOUCFPSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000352015826 134036581 /nfs/dbraw/zinc/03/65/81/134036581.db2.gz SHUIMUCGXHSXOC-TUAOUCFPSA-N 1 2 241.331 1.437 20 0 BDADLO Cn1cncc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000335997586 134042721 /nfs/dbraw/zinc/04/27/21/134042721.db2.gz LCOHELBQMXGDOL-GFCCVEGCSA-N 1 2 236.319 1.700 20 0 BDADLO Cn1cncc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000335997586 134042722 /nfs/dbraw/zinc/04/27/22/134042722.db2.gz LCOHELBQMXGDOL-GFCCVEGCSA-N 1 2 236.319 1.700 20 0 BDADLO Cc1cc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)on1 ZINC000336010868 134051171 /nfs/dbraw/zinc/05/11/71/134051171.db2.gz DIYQQRIJLBGBQV-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1cc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)on1 ZINC000336010868 134051172 /nfs/dbraw/zinc/05/11/72/134051172.db2.gz DIYQQRIJLBGBQV-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000336019436 134053977 /nfs/dbraw/zinc/05/39/77/134053977.db2.gz DGMAOFIDRXERTP-WCBMZHEXSA-N 1 2 222.292 1.018 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nn1 ZINC000336039336 134060534 /nfs/dbraw/zinc/06/05/34/134060534.db2.gz IUBNNADGVDAGIA-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nn1 ZINC000336039336 134060535 /nfs/dbraw/zinc/06/05/35/134060535.db2.gz IUBNNADGVDAGIA-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000336065850 134070452 /nfs/dbraw/zinc/07/04/52/134070452.db2.gz KEROXMOWDUSNFQ-GHMZBOCLSA-N 1 2 243.310 1.886 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCCO1 ZINC000336067565 134071195 /nfs/dbraw/zinc/07/11/95/134071195.db2.gz ZSZJMHSCJMOCAA-NSHDSACASA-N 1 2 249.314 1.390 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)C(C)(F)F)cc[nH+]1 ZINC000336109715 134085732 /nfs/dbraw/zinc/08/57/32/134085732.db2.gz MJSSMLISGMOPES-QMMMGPOBSA-N 1 2 243.257 1.977 20 0 BDADLO Cc1cc(F)cc2c1C[N@@H+]([C@H]1CCNC1=O)CC2 ZINC000336123803 134091981 /nfs/dbraw/zinc/09/19/81/134091981.db2.gz PHICISVDZMFXFL-ZDUSSCGKSA-N 1 2 248.301 1.381 20 0 BDADLO Cc1cc(F)cc2c1C[N@H+]([C@H]1CCNC1=O)CC2 ZINC000336123803 134091982 /nfs/dbraw/zinc/09/19/82/134091982.db2.gz PHICISVDZMFXFL-ZDUSSCGKSA-N 1 2 248.301 1.381 20 0 BDADLO C[C@H]1COCC[N@@H+]1C/C=C/c1ccncc1 ZINC000336213465 134135699 /nfs/dbraw/zinc/13/56/99/134135699.db2.gz ZQDDHQOKSAYBQK-JDGPPOGSSA-N 1 2 218.300 1.816 20 0 BDADLO C[C@H]1COCC[N@H+]1C/C=C/c1ccncc1 ZINC000336213465 134135700 /nfs/dbraw/zinc/13/57/00/134135700.db2.gz ZQDDHQOKSAYBQK-JDGPPOGSSA-N 1 2 218.300 1.816 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccncc1F ZINC000336215606 134137086 /nfs/dbraw/zinc/13/70/86/134137086.db2.gz JUBUBGYRCHVNOF-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccncc1F ZINC000336215606 134137087 /nfs/dbraw/zinc/13/70/87/134137087.db2.gz JUBUBGYRCHVNOF-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H](C)S1 ZINC000336218895 134138319 /nfs/dbraw/zinc/13/83/19/134138319.db2.gz XHZDZDAUUODSSX-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H](C)S1 ZINC000336218895 134138320 /nfs/dbraw/zinc/13/83/20/134138320.db2.gz XHZDZDAUUODSSX-DTORHVGOSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccncc2F)[C@H]1C ZINC000336219939 134138816 /nfs/dbraw/zinc/13/88/16/134138816.db2.gz RIYVKMSSSHLRQY-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccncc2F)[C@H]1C ZINC000336219939 134138817 /nfs/dbraw/zinc/13/88/17/134138817.db2.gz RIYVKMSSSHLRQY-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000359580958 134195772 /nfs/dbraw/zinc/19/57/72/134195772.db2.gz MFSCKJXZQWQYFR-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000359580958 134195773 /nfs/dbraw/zinc/19/57/73/134195773.db2.gz MFSCKJXZQWQYFR-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)c1ccc(F)cc1 ZINC000085192016 134247775 /nfs/dbraw/zinc/24/77/75/134247775.db2.gz IIXOGRLVOYNDBQ-INIZCTEOSA-N 1 2 238.287 1.867 20 0 BDADLO O=C(NCC(F)F)c1ccc2[nH+]ccn2c1 ZINC000174561257 134282469 /nfs/dbraw/zinc/28/24/69/134282469.db2.gz HFQWQMHNVVSUME-UHFFFAOYSA-N 1 2 225.198 1.329 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000177988226 134302230 /nfs/dbraw/zinc/30/22/30/134302230.db2.gz PBVDENVUPDUSCM-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000177988226 134302231 /nfs/dbraw/zinc/30/22/31/134302231.db2.gz PBVDENVUPDUSCM-LBPRGKRZSA-N 1 2 239.319 1.369 20 0 BDADLO CC(=O)N1CCC(Nc2c[nH+]cc(C)c2)CC1 ZINC000220558680 134309855 /nfs/dbraw/zinc/30/98/55/134309855.db2.gz FXUPPGFRTBSCEX-UHFFFAOYSA-N 1 2 233.315 1.813 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178822791 134315425 /nfs/dbraw/zinc/31/54/25/134315425.db2.gz WUFFMSOYFXAYDP-NEPJUHHUSA-N 1 2 249.358 1.854 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H](C)[NH2+]1 ZINC000179148541 134317565 /nfs/dbraw/zinc/31/75/65/134317565.db2.gz VHUDMGIYUPCENK-DTORHVGOSA-N 1 2 248.330 1.110 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccc(Cl)o1 ZINC000221015964 134318233 /nfs/dbraw/zinc/31/82/33/134318233.db2.gz NZCIQVDLNRLBAQ-UHFFFAOYSA-N 1 2 239.662 1.597 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000182391540 134344763 /nfs/dbraw/zinc/34/47/63/134344763.db2.gz FLHHCHGBJIXBHH-SECBINFHSA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000182391540 134344764 /nfs/dbraw/zinc/34/47/64/134344764.db2.gz FLHHCHGBJIXBHH-SECBINFHSA-N 1 2 225.292 1.448 20 0 BDADLO C[C@H]([NH2+]Cc1nccc(N)n1)c1cccnc1 ZINC000182890613 134349222 /nfs/dbraw/zinc/34/92/22/134349222.db2.gz WOTBYJXMHRGIKT-VIFPVBQESA-N 1 2 229.287 1.305 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1ncc(Cl)s1 ZINC000225302421 134354331 /nfs/dbraw/zinc/35/43/31/134354331.db2.gz KBBYGRBMOALNNT-UHFFFAOYSA-N 1 2 247.751 1.411 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000183664168 134355530 /nfs/dbraw/zinc/35/55/30/134355530.db2.gz IHGLYOPGKXUFPK-SRVKXCTJSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)ccc1O ZINC000227018753 134373516 /nfs/dbraw/zinc/37/35/16/134373516.db2.gz FCKZWBTZHRWOMP-UHFFFAOYSA-N 1 2 245.282 1.327 20 0 BDADLO CC[C@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000227013689 134373831 /nfs/dbraw/zinc/37/38/31/134373831.db2.gz IRTLCUSDIKJGQO-IONNQARKSA-N 1 2 217.276 1.574 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H](CO)CC(C)C)no1 ZINC000185347015 134376903 /nfs/dbraw/zinc/37/69/03/134376903.db2.gz MKMXCCNLOXBTDX-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H](CO)CC(C)C)no1 ZINC000185347015 134376904 /nfs/dbraw/zinc/37/69/04/134376904.db2.gz MKMXCCNLOXBTDX-JTQLQIEISA-N 1 2 241.335 1.471 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000227830018 134390134 /nfs/dbraw/zinc/39/01/34/134390134.db2.gz SLKZCNGEXJCDEY-VHSXEESVSA-N 1 2 209.293 1.313 20 0 BDADLO COc1cccc2c1cc[nH+]c2N1CC(O)C1 ZINC000235019380 134587229 /nfs/dbraw/zinc/58/72/29/134587229.db2.gz HPYXUHNTGCQOSI-UHFFFAOYSA-N 1 2 230.267 1.424 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2nncn2C)cn1 ZINC000132172692 134643895 /nfs/dbraw/zinc/64/38/95/134643895.db2.gz NHYRMIAHPGIMCP-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOCC12CCC2 ZINC000135521764 134749468 /nfs/dbraw/zinc/74/94/68/134749468.db2.gz GVWYFWVHEUQRPE-GORDUTHDSA-N 1 2 201.697 1.994 20 0 BDADLO Cl/C=C/C[N@H+]1CCOCC12CCC2 ZINC000135521764 134749469 /nfs/dbraw/zinc/74/94/69/134749469.db2.gz GVWYFWVHEUQRPE-GORDUTHDSA-N 1 2 201.697 1.994 20 0 BDADLO c1nnc(SCCC[NH+]2CCOCC2)s1 ZINC000195335331 134841993 /nfs/dbraw/zinc/84/19/93/134841993.db2.gz GPHJYMMXUWYGAG-UHFFFAOYSA-N 1 2 245.373 1.353 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000248399878 135004617 /nfs/dbraw/zinc/00/46/17/135004617.db2.gz WLNRUSBEWGPDIY-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000248399878 135004618 /nfs/dbraw/zinc/00/46/18/135004618.db2.gz WLNRUSBEWGPDIY-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)oc1C ZINC000248484660 135014380 /nfs/dbraw/zinc/01/43/80/135014380.db2.gz KDQMIDQXXQQNHB-VPTHRUTESA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C[S@@](C)=O)oc1C ZINC000248484660 135014381 /nfs/dbraw/zinc/01/43/81/135014381.db2.gz KDQMIDQXXQQNHB-VPTHRUTESA-N 1 2 244.360 1.490 20 0 BDADLO CCn1cc[nH+]c1CN(C)[C@@H](C)C[S@@](C)=O ZINC000248882324 135025392 /nfs/dbraw/zinc/02/53/92/135025392.db2.gz OYBIZWSDGNJADH-MGPLVRAMSA-N 1 2 243.376 1.102 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC2CC2)C[C@@H](C)O1 ZINC000252442876 135090160 /nfs/dbraw/zinc/09/01/60/135090160.db2.gz FCJATDVZCLFNHJ-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@@H](C)O1 ZINC000252442876 135090161 /nfs/dbraw/zinc/09/01/61/135090161.db2.gz FCJATDVZCLFNHJ-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)OC ZINC000087332131 135124316 /nfs/dbraw/zinc/12/43/16/135124316.db2.gz HMEIAWQDYQSTSV-SNVBAGLBSA-N 1 2 222.288 1.465 20 0 BDADLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)OC ZINC000087332131 135124317 /nfs/dbraw/zinc/12/43/17/135124317.db2.gz HMEIAWQDYQSTSV-SNVBAGLBSA-N 1 2 222.288 1.465 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccc(F)c(Cl)c1 ZINC000259117161 135136572 /nfs/dbraw/zinc/13/65/72/135136572.db2.gz PQVJITYBSBYTBE-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccc(F)c(Cl)c1 ZINC000259117161 135136573 /nfs/dbraw/zinc/13/65/73/135136573.db2.gz PQVJITYBSBYTBE-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccco1 ZINC000084093443 135185692 /nfs/dbraw/zinc/18/56/92/135185692.db2.gz PWHAWJBKBGZRNU-LLVKDONJSA-N 1 2 223.272 1.663 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccco1 ZINC000084093443 135185693 /nfs/dbraw/zinc/18/56/93/135185693.db2.gz PWHAWJBKBGZRNU-LLVKDONJSA-N 1 2 223.272 1.663 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261553429 135193158 /nfs/dbraw/zinc/19/31/58/135193158.db2.gz SKGMVIBLVFQRIA-MRVPVSSYSA-N 1 2 218.247 1.042 20 0 BDADLO Cc1cc(NC[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000084233358 135193356 /nfs/dbraw/zinc/19/33/56/135193356.db2.gz OPFZPBHOOYRRHS-ZJUUUORDSA-N 1 2 207.277 1.358 20 0 BDADLO CC1(C)C[N@H+](Cc2cccnc2)C[C@@H](CO)O1 ZINC000163858395 135207846 /nfs/dbraw/zinc/20/78/46/135207846.db2.gz WUHTYSMFVSHDOB-LBPRGKRZSA-N 1 2 236.315 1.053 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccnc2)C[C@@H](CO)O1 ZINC000163858395 135207848 /nfs/dbraw/zinc/20/78/48/135207848.db2.gz WUHTYSMFVSHDOB-LBPRGKRZSA-N 1 2 236.315 1.053 20 0 BDADLO CO[C@H](C)CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000164088949 135214053 /nfs/dbraw/zinc/21/40/53/135214053.db2.gz ZSZGSPVZVKRHSF-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC(C)C ZINC000342403968 135271668 /nfs/dbraw/zinc/27/16/68/135271668.db2.gz GFRYLLLQWIIUEV-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC(C)C ZINC000342403968 135271670 /nfs/dbraw/zinc/27/16/70/135271670.db2.gz GFRYLLLQWIIUEV-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO COC[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342533243 135280204 /nfs/dbraw/zinc/28/02/04/135280204.db2.gz CUWFUDMFMPPVRZ-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO COC[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342533243 135280205 /nfs/dbraw/zinc/28/02/05/135280205.db2.gz CUWFUDMFMPPVRZ-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO C[C@H]1CSC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000342517772 135285779 /nfs/dbraw/zinc/28/57/79/135285779.db2.gz XTMUWZBTUDNUEK-IUCAKERBSA-N 1 2 239.344 1.210 20 0 BDADLO COCc1cnc(C[N@@H+]2CCC[C@H]2CO)s1 ZINC000342617038 135295896 /nfs/dbraw/zinc/29/58/96/135295896.db2.gz OSDHHIVWHPNFEN-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@H+]2CCC[C@H]2CO)s1 ZINC000342617038 135295898 /nfs/dbraw/zinc/29/58/98/135295898.db2.gz OSDHHIVWHPNFEN-VIFPVBQESA-N 1 2 242.344 1.246 20 0 BDADLO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+]([C@H](C)C(=O)[O-])CC2 ZINC000262397834 135298466 /nfs/dbraw/zinc/29/84/66/135298466.db2.gz NFYHVTXGGDXACD-UTUOFQBUSA-N 1 2 240.347 1.407 20 0 BDADLO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+]([C@H](C)C(=O)[O-])CC2 ZINC000262397834 135298468 /nfs/dbraw/zinc/29/84/68/135298468.db2.gz NFYHVTXGGDXACD-UTUOFQBUSA-N 1 2 240.347 1.407 20 0 BDADLO CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+]([C@H](C)C(=O)[O-])CC2 ZINC000262397834 135298471 /nfs/dbraw/zinc/29/84/71/135298471.db2.gz NFYHVTXGGDXACD-UTUOFQBUSA-N 1 2 240.347 1.407 20 0 BDADLO CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+]([C@H](C)C(=O)[O-])CC2 ZINC000262397834 135298472 /nfs/dbraw/zinc/29/84/72/135298472.db2.gz NFYHVTXGGDXACD-UTUOFQBUSA-N 1 2 240.347 1.407 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(CCO)C2)[nH+]1 ZINC000342790849 135318738 /nfs/dbraw/zinc/31/87/38/135318738.db2.gz RHBLAHIGKYTMLE-UHFFFAOYSA-N 1 2 232.287 1.085 20 0 BDADLO Cc1c[nH+]c(CN(C)CCCOC(C)C)n1C ZINC000342801808 135322178 /nfs/dbraw/zinc/32/21/78/135322178.db2.gz YYAVVMSOZYVFRW-UHFFFAOYSA-N 1 2 239.363 1.975 20 0 BDADLO Cc1ccnc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000262903084 135323461 /nfs/dbraw/zinc/32/34/61/135323461.db2.gz DWFZLUWMCAJMBO-QMMMGPOBSA-N 1 2 241.241 1.326 20 0 BDADLO Cc1cnc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)s1 ZINC000262915976 135324256 /nfs/dbraw/zinc/32/42/56/135324256.db2.gz GILKNWFXNWNLNO-ZCFIWIBFSA-N 1 2 247.270 1.387 20 0 BDADLO Cc1ccc(C[NH+]2CC(n3ccnn3)C2)s1 ZINC000334312598 135352002 /nfs/dbraw/zinc/35/20/02/135352002.db2.gz UDXDIEGWGGLOMC-UHFFFAOYSA-N 1 2 234.328 1.705 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC12CCCC2 ZINC000334330400 135354300 /nfs/dbraw/zinc/35/43/00/135354300.db2.gz KKDVXJIRJYYMOT-NSHDSACASA-N 1 2 247.342 1.959 20 0 BDADLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000343136715 135359684 /nfs/dbraw/zinc/35/96/84/135359684.db2.gz LURDPKPVHKTJJN-PWSUYJOCSA-N 1 2 249.314 1.005 20 0 BDADLO Cc1cccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000343143171 135360686 /nfs/dbraw/zinc/36/06/86/135360686.db2.gz PFZXKTLZKOCOGG-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO CCn1cc[nH+]c1CN1CCOCC12CC2 ZINC000334333976 135361911 /nfs/dbraw/zinc/36/19/11/135361911.db2.gz WAVWORXZPRVRJC-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO FC(F)(F)CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334349742 135367816 /nfs/dbraw/zinc/36/78/16/135367816.db2.gz VCRGITDOJIENKO-OCAPTIKFSA-N 1 2 225.210 1.038 20 0 BDADLO FC(F)(F)CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000334349742 135367817 /nfs/dbraw/zinc/36/78/17/135367817.db2.gz VCRGITDOJIENKO-OCAPTIKFSA-N 1 2 225.210 1.038 20 0 BDADLO C[C@H](CN1CCOCC1)[N@@H+]1CCC=C(F)C1 ZINC000334360393 135372281 /nfs/dbraw/zinc/37/22/81/135372281.db2.gz YXNHUWLPWLJOHR-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H](CN1CCOCC1)[N@H+]1CCC=C(F)C1 ZINC000334360393 135372282 /nfs/dbraw/zinc/37/22/82/135372282.db2.gz YXNHUWLPWLJOHR-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N1CCC=C(F)C1 ZINC000334360393 135372284 /nfs/dbraw/zinc/37/22/84/135372284.db2.gz YXNHUWLPWLJOHR-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000334380078 135380488 /nfs/dbraw/zinc/38/04/88/135380488.db2.gz IGCDZBZHKFZBLA-NSHDSACASA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCOC2)oc1C ZINC000334398905 135388024 /nfs/dbraw/zinc/38/80/24/135388024.db2.gz DOFFINVHZROQIL-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCOC2)oc1C ZINC000334398905 135388025 /nfs/dbraw/zinc/38/80/25/135388025.db2.gz DOFFINVHZROQIL-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cccs1 ZINC000074755503 135390187 /nfs/dbraw/zinc/39/01/87/135390187.db2.gz ZVONDGFIMWACRS-VIFPVBQESA-N 1 2 224.329 1.524 20 0 BDADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccs1 ZINC000074755503 135390189 /nfs/dbraw/zinc/39/01/89/135390189.db2.gz ZVONDGFIMWACRS-VIFPVBQESA-N 1 2 224.329 1.524 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCC(=O)OC(C)(C)C ZINC000344768454 135793701 /nfs/dbraw/zinc/79/37/01/135793701.db2.gz KDVJGPSQWKBLHT-UHFFFAOYSA-N 1 2 245.319 1.259 20 0 BDADLO CCc1cc(CCC[NH+]2CCOCC2)on1 ZINC000347724146 136003739 /nfs/dbraw/zinc/00/37/39/136003739.db2.gz GTUWEIJGWSIELZ-UHFFFAOYSA-N 1 2 224.304 1.502 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347695121 136006399 /nfs/dbraw/zinc/00/63/99/136006399.db2.gz YKMUQMHGYUKINA-JTQLQIEISA-N 1 2 231.246 1.235 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347695121 136006400 /nfs/dbraw/zinc/00/64/00/136006400.db2.gz YKMUQMHGYUKINA-JTQLQIEISA-N 1 2 231.246 1.235 20 0 BDADLO C[N@H+](Cc1ccn(C(F)F)n1)[C@@H]1CCOC1 ZINC000347697071 136006776 /nfs/dbraw/zinc/00/67/76/136006776.db2.gz HMYIMPPWZOBLNE-SECBINFHSA-N 1 2 231.246 1.499 20 0 BDADLO C[N@@H+](Cc1ccn(C(F)F)n1)[C@@H]1CCOC1 ZINC000347697071 136006777 /nfs/dbraw/zinc/00/67/77/136006777.db2.gz HMYIMPPWZOBLNE-SECBINFHSA-N 1 2 231.246 1.499 20 0 BDADLO CC[C@H](NC(=O)Cc1cc(C)[nH]n1)c1[nH]cc[nH+]1 ZINC000347947882 136019812 /nfs/dbraw/zinc/01/98/12/136019812.db2.gz GOAPETCAVRAVGQ-JTQLQIEISA-N 1 2 247.302 1.251 20 0 BDADLO CC[C@H](NC(=O)Cc1cc(C)n[nH]1)c1[nH]cc[nH+]1 ZINC000347947882 136019813 /nfs/dbraw/zinc/01/98/13/136019813.db2.gz GOAPETCAVRAVGQ-JTQLQIEISA-N 1 2 247.302 1.251 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@H]1C ZINC000335316993 136025119 /nfs/dbraw/zinc/02/51/19/136025119.db2.gz UZGJARZKGKVGSK-SCZZXKLOSA-N 1 2 219.288 1.732 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000348183166 136044061 /nfs/dbraw/zinc/04/40/61/136044061.db2.gz ASBDAVQNLJKVPH-PWSUYJOCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000348183166 136044062 /nfs/dbraw/zinc/04/40/62/136044062.db2.gz ASBDAVQNLJKVPH-PWSUYJOCSA-N 1 2 238.335 1.062 20 0 BDADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)ns1 ZINC000335322121 136049961 /nfs/dbraw/zinc/04/99/61/136049961.db2.gz OKJYKFFTDXCRFC-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC1 ZINC000335325728 136051962 /nfs/dbraw/zinc/05/19/62/136051962.db2.gz IZFIHQHEZQIMPO-SNVBAGLBSA-N 1 2 219.288 1.068 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335331802 136054201 /nfs/dbraw/zinc/05/42/01/136054201.db2.gz BWTSLNSHGZUPSL-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(CO)o1 ZINC000335334862 136055243 /nfs/dbraw/zinc/05/52/43/136055243.db2.gz DQCVZUSCIXHZEG-JTQLQIEISA-N 1 2 239.315 1.771 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(CO)o1 ZINC000335334862 136055244 /nfs/dbraw/zinc/05/52/44/136055244.db2.gz DQCVZUSCIXHZEG-JTQLQIEISA-N 1 2 239.315 1.771 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccoc1C ZINC000348236315 136061533 /nfs/dbraw/zinc/06/15/33/136061533.db2.gz NGBZFSXTUDASMX-UHFFFAOYSA-N 1 2 246.266 1.922 20 0 BDADLO C[C@@H]([NH2+]CCF)c1nnnn1-c1ccccc1 ZINC000348355565 136071865 /nfs/dbraw/zinc/07/18/65/136071865.db2.gz DNBXXIJBCRASEV-SECBINFHSA-N 1 2 235.266 1.282 20 0 BDADLO CCOC[C@@H]([NH2+]Cc1noc(CC)n1)C(C)C ZINC000348469627 136079778 /nfs/dbraw/zinc/07/97/78/136079778.db2.gz NRUQEFDVWRHQON-SNVBAGLBSA-N 1 2 241.335 1.783 20 0 BDADLO OCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000335378716 136086422 /nfs/dbraw/zinc/08/64/22/136086422.db2.gz FNIQPQBITBURAZ-UHFFFAOYSA-N 1 2 217.721 1.752 20 0 BDADLO OCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000335378716 136086423 /nfs/dbraw/zinc/08/64/23/136086423.db2.gz FNIQPQBITBURAZ-UHFFFAOYSA-N 1 2 217.721 1.752 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1[C@H](C)C[C@@H]1C ZINC000335379605 136086823 /nfs/dbraw/zinc/08/68/23/136086823.db2.gz RKUPKWOKJLVBGR-AOOOYVTPSA-N 1 2 219.288 1.827 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000335388304 136089626 /nfs/dbraw/zinc/08/96/26/136089626.db2.gz WHUIJKGVLRVHGM-JTQLQIEISA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000335388304 136089627 /nfs/dbraw/zinc/08/96/27/136089627.db2.gz WHUIJKGVLRVHGM-JTQLQIEISA-N 1 2 229.711 1.030 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547657 136097071 /nfs/dbraw/zinc/09/70/71/136097071.db2.gz JBJLZOPCPQBKNB-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCC(=O)C1 ZINC000335547546 136097094 /nfs/dbraw/zinc/09/70/94/136097094.db2.gz OFJXTQWKTGEUQF-VIFPVBQESA-N 1 2 247.298 1.527 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547080 136097100 /nfs/dbraw/zinc/09/71/00/136097100.db2.gz CYJSTYREHAJHRA-NEPJUHHUSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000335550199 136097626 /nfs/dbraw/zinc/09/76/26/136097626.db2.gz OXQNWBHVVIXFPG-NXEZZACHSA-N 1 2 235.331 1.908 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000335550466 136097769 /nfs/dbraw/zinc/09/77/69/136097769.db2.gz ZLMGVMFOHBXVOA-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)[nH]1 ZINC000335584700 136101035 /nfs/dbraw/zinc/10/10/35/136101035.db2.gz YKOLMOQTZZOEJJ-YUMQZZPRSA-N 1 2 224.333 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)[nH]1 ZINC000335584700 136101036 /nfs/dbraw/zinc/10/10/36/136101036.db2.gz YKOLMOQTZZOEJJ-YUMQZZPRSA-N 1 2 224.333 1.057 20 0 BDADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC1(C)C ZINC000335564406 136107015 /nfs/dbraw/zinc/10/70/15/136107015.db2.gz SUEYTVHATOESMG-HTQZYQBOSA-N 1 2 232.274 1.241 20 0 BDADLO C[C@H]1C[C@H](CO)CN(c2cccc[nH+]2)C1 ZINC000335569740 136108633 /nfs/dbraw/zinc/10/86/33/136108633.db2.gz SHTLSJLHIYZCGQ-QWRGUYRKSA-N 1 2 206.289 1.536 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnns2)CCS1 ZINC000335570471 136109195 /nfs/dbraw/zinc/10/91/95/136109195.db2.gz UEWDGMVOCOIDQJ-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnns2)CCS1 ZINC000335570471 136109196 /nfs/dbraw/zinc/10/91/96/136109196.db2.gz UEWDGMVOCOIDQJ-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnns2)CCS1 ZINC000335570469 136109305 /nfs/dbraw/zinc/10/93/05/136109305.db2.gz UEWDGMVOCOIDQJ-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnns2)CCS1 ZINC000335570469 136109306 /nfs/dbraw/zinc/10/93/06/136109306.db2.gz UEWDGMVOCOIDQJ-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO CC[C@@](C)([NH2+]CCOCC1CC1)C(=O)OC ZINC000309999502 171175855 /nfs/dbraw/zinc/17/58/55/171175855.db2.gz DHTFEPWXIDDBQT-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)C1CC1 ZINC000155169918 397750294 /nfs/dbraw/zinc/75/02/94/397750294.db2.gz JRAQSPDILKIPOF-LLVKDONJSA-N 1 2 235.331 1.778 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC(=O)NCC1CC1 ZINC000190771203 397887402 /nfs/dbraw/zinc/88/74/02/397887402.db2.gz AXLMUOVDFHKKDM-UHFFFAOYSA-N 1 2 248.326 1.857 20 0 BDADLO C[C@]1(F)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000334482898 397931190 /nfs/dbraw/zinc/93/11/90/397931190.db2.gz XJQZMXZPYPZIKV-NSHDSACASA-N 1 2 214.284 1.043 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000334482898 397931194 /nfs/dbraw/zinc/93/11/94/397931194.db2.gz XJQZMXZPYPZIKV-NSHDSACASA-N 1 2 214.284 1.043 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000266972705 397941732 /nfs/dbraw/zinc/94/17/32/397941732.db2.gz MOPVEBBVDTVQJP-UHFFFAOYSA-N 1 2 245.286 1.249 20 0 BDADLO C[N@H+](CC(F)F)[C@@H](CO)CC(C)(C)C ZINC000650142204 397941953 /nfs/dbraw/zinc/94/19/53/397941953.db2.gz IHFZRSJHOXTCPU-MRVPVSSYSA-N 1 2 209.280 1.980 20 0 BDADLO C[N@@H+](CC(F)F)[C@@H](CO)CC(C)(C)C ZINC000650142204 397941957 /nfs/dbraw/zinc/94/19/57/397941957.db2.gz IHFZRSJHOXTCPU-MRVPVSSYSA-N 1 2 209.280 1.980 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1cc2n(n1)CCC2 ZINC000649550374 397942646 /nfs/dbraw/zinc/94/26/46/397942646.db2.gz LIUXBPMRJHSQRD-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1cc2n(n1)CCC2 ZINC000649550374 397942649 /nfs/dbraw/zinc/94/26/49/397942649.db2.gz LIUXBPMRJHSQRD-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000592139823 397945538 /nfs/dbraw/zinc/94/55/38/397945538.db2.gz IYKJSGSEFTTYCH-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000592139823 397945540 /nfs/dbraw/zinc/94/55/40/397945540.db2.gz IYKJSGSEFTTYCH-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO [NH3+][C@H]1CCC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000382461471 397951556 /nfs/dbraw/zinc/95/15/56/397951556.db2.gz WLOJGRUEEMSCJM-DTWKUNHWSA-N 1 2 238.360 1.519 20 0 BDADLO CN(C[C@@H]1CCC[C@H]1O)c1cccc[nH+]1 ZINC000270015445 397959361 /nfs/dbraw/zinc/95/93/61/397959361.db2.gz VJQMYMFQCCIOAH-WDEREUQCSA-N 1 2 206.289 1.679 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC(C)C)C[C@H](C)O1 ZINC000111277362 397906639 /nfs/dbraw/zinc/90/66/39/397906639.db2.gz FRCDSCGYAIGPEW-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@H](C)O1 ZINC000111277362 397906643 /nfs/dbraw/zinc/90/66/43/397906643.db2.gz FRCDSCGYAIGPEW-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000360307873 397963492 /nfs/dbraw/zinc/96/34/92/397963492.db2.gz CBSJHKCXONSDRQ-VHSXEESVSA-N 1 2 221.304 1.771 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)[C@@H]1CCOC1 ZINC000649521743 397915386 /nfs/dbraw/zinc/91/53/86/397915386.db2.gz AVWHHHFDYUXUAK-GFCCVEGCSA-N 1 2 221.304 1.050 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)[C@@H]1CCOC1 ZINC000649521743 397915395 /nfs/dbraw/zinc/91/53/95/397915395.db2.gz AVWHHHFDYUXUAK-GFCCVEGCSA-N 1 2 221.304 1.050 20 0 BDADLO CC(C)CCO[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114126288 397917211 /nfs/dbraw/zinc/91/72/11/397917211.db2.gz NWNQIDQQAJGMMF-JTQLQIEISA-N 1 2 239.319 1.477 20 0 BDADLO C[C@H]1CCCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000185856270 397922650 /nfs/dbraw/zinc/92/26/50/397922650.db2.gz NBOSSYDVUXYNNZ-JTQLQIEISA-N 1 2 245.330 1.990 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)OC)s1 ZINC000050047785 397990302 /nfs/dbraw/zinc/99/03/02/397990302.db2.gz MSNOXZOLSKGTMT-UHFFFAOYSA-N 1 2 227.329 1.915 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)OC)s1 ZINC000050047785 397990304 /nfs/dbraw/zinc/99/03/04/397990304.db2.gz MSNOXZOLSKGTMT-UHFFFAOYSA-N 1 2 227.329 1.915 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCCC(F)(F)C2)CCN1 ZINC000649695761 398044837 /nfs/dbraw/zinc/04/48/37/398044837.db2.gz HUFGZAGZKHCOCD-SNVBAGLBSA-N 1 2 246.301 1.634 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCCC(F)(F)C2)CCN1 ZINC000649695761 398044838 /nfs/dbraw/zinc/04/48/38/398044838.db2.gz HUFGZAGZKHCOCD-SNVBAGLBSA-N 1 2 246.301 1.634 20 0 BDADLO CCOC(=O)[C@H](C)N(C)c1[nH+]ccc2[nH]ccc21 ZINC000596158792 397998003 /nfs/dbraw/zinc/99/80/03/397998003.db2.gz ACSZZCBYROHKST-VIFPVBQESA-N 1 2 247.298 1.951 20 0 BDADLO CO[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334654536 398026184 /nfs/dbraw/zinc/02/61/84/398026184.db2.gz ZKGWJQCVHHMJAN-QMMMGPOBSA-N 1 2 223.276 1.193 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000649700552 398048902 /nfs/dbraw/zinc/04/89/02/398048902.db2.gz GWPUPHXVRSHBPO-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000649700552 398048907 /nfs/dbraw/zinc/04/89/07/398048907.db2.gz GWPUPHXVRSHBPO-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO CNc1ccc(Nc2cc(COC)ncn2)c[nH+]1 ZINC000582626510 398041521 /nfs/dbraw/zinc/04/15/21/398041521.db2.gz XXAWKETYLXSNML-UHFFFAOYSA-N 1 2 245.286 1.225 20 0 BDADLO Cc1noc(C[NH2+][C@H](CCO)c2ccccc2)n1 ZINC000271718670 397971346 /nfs/dbraw/zinc/97/13/46/397971346.db2.gz WGXQXAJJZJVCKU-GFCCVEGCSA-N 1 2 247.298 1.591 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@@H](C)[C@@H](C)O1 ZINC000649591039 397976811 /nfs/dbraw/zinc/97/68/11/397976811.db2.gz LJHPZDSCEXFURB-GRYCIOLGSA-N 1 2 249.358 1.827 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@@H](C)[C@@H](C)O1 ZINC000649591039 397976816 /nfs/dbraw/zinc/97/68/16/397976816.db2.gz LJHPZDSCEXFURB-GRYCIOLGSA-N 1 2 249.358 1.827 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](OC(C)C)C2)no1 ZINC000649699813 398050047 /nfs/dbraw/zinc/05/00/47/398050047.db2.gz SHHURPYYWZDNNT-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](OC(C)C)C2)no1 ZINC000649699813 398050048 /nfs/dbraw/zinc/05/00/48/398050048.db2.gz SHHURPYYWZDNNT-NSHDSACASA-N 1 2 239.319 1.767 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000528377273 397985754 /nfs/dbraw/zinc/98/57/54/397985754.db2.gz DRZQWGPVLJFHGH-ZUYFITGHSA-N 1 2 230.739 1.585 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000528377273 397985757 /nfs/dbraw/zinc/98/57/57/397985757.db2.gz DRZQWGPVLJFHGH-ZUYFITGHSA-N 1 2 230.739 1.585 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cnns1 ZINC000649718842 398060229 /nfs/dbraw/zinc/06/02/29/398060229.db2.gz HTHLNEQYWRWREZ-ZJUUUORDSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cnns1 ZINC000649718842 398060231 /nfs/dbraw/zinc/06/02/31/398060231.db2.gz HTHLNEQYWRWREZ-ZJUUUORDSA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1cn[nH]c1 ZINC000644901271 398092408 /nfs/dbraw/zinc/09/24/08/398092408.db2.gz ZXADRIMZXXIKHC-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@H](CC)CO1 ZINC000649719641 398062488 /nfs/dbraw/zinc/06/24/88/398062488.db2.gz UMWOUJZOSKFETM-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@H](CC)CO1 ZINC000649719641 398062489 /nfs/dbraw/zinc/06/24/89/398062489.db2.gz UMWOUJZOSKFETM-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cnnn1C ZINC000649717463 398063626 /nfs/dbraw/zinc/06/36/26/398063626.db2.gz FTQAAFIQHMYTPW-SNVBAGLBSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cnnn1C ZINC000649717463 398063628 /nfs/dbraw/zinc/06/36/28/398063628.db2.gz FTQAAFIQHMYTPW-SNVBAGLBSA-N 1 2 238.335 1.205 20 0 BDADLO COCc1cc(CNc2ccc(CO)c[nH+]2)no1 ZINC000291329807 398092935 /nfs/dbraw/zinc/09/29/35/398092935.db2.gz AEORYTZQZDWVEC-UHFFFAOYSA-N 1 2 249.270 1.320 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccno2)[C@H](C)CO1 ZINC000649729661 398067868 /nfs/dbraw/zinc/06/78/68/398067868.db2.gz DCYTXEOZWNJICR-NXEZZACHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccno2)[C@H](C)CO1 ZINC000649729661 398067869 /nfs/dbraw/zinc/06/78/69/398067869.db2.gz DCYTXEOZWNJICR-NXEZZACHSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccno2)[C@@H](C)CO1 ZINC000649729663 398068027 /nfs/dbraw/zinc/06/80/27/398068027.db2.gz DCYTXEOZWNJICR-VHSXEESVSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccno2)[C@@H](C)CO1 ZINC000649729663 398068028 /nfs/dbraw/zinc/06/80/28/398068028.db2.gz DCYTXEOZWNJICR-VHSXEESVSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000649729891 398068046 /nfs/dbraw/zinc/06/80/46/398068046.db2.gz HMYTXVGFBZKVMB-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000649729891 398068050 /nfs/dbraw/zinc/06/80/50/398068050.db2.gz HMYTXVGFBZKVMB-TUAOUCFPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)no2)[C@H](C)CO1 ZINC000649732231 398072141 /nfs/dbraw/zinc/07/21/41/398072141.db2.gz UTPLWIKHKRMMHF-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)no2)[C@H](C)CO1 ZINC000649732231 398072146 /nfs/dbraw/zinc/07/21/46/398072146.db2.gz UTPLWIKHKRMMHF-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CCN(C[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283488457 398073641 /nfs/dbraw/zinc/07/36/41/398073641.db2.gz NXHZQMWFIPFGSR-FYJFLYSWSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)nc2)[C@@H](C)CO1 ZINC000649734976 398073571 /nfs/dbraw/zinc/07/35/71/398073571.db2.gz DHVLUAYZZOAVRF-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)nc2)[C@@H](C)CO1 ZINC000649734976 398073573 /nfs/dbraw/zinc/07/35/73/398073573.db2.gz DHVLUAYZZOAVRF-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@@H](CNC(=O)c1ccccc1)Cn1cc[nH+]c1 ZINC000059495139 398075025 /nfs/dbraw/zinc/07/50/25/398075025.db2.gz BAVZGCMOAQPHAA-LBPRGKRZSA-N 1 2 243.310 1.949 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(C)n2)[C@@H](C)CO1 ZINC000649737437 398075982 /nfs/dbraw/zinc/07/59/82/398075982.db2.gz ZNEMCIVMUAICGT-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(C)n2)[C@@H](C)CO1 ZINC000649737437 398075985 /nfs/dbraw/zinc/07/59/85/398075985.db2.gz ZNEMCIVMUAICGT-GWCFXTLKSA-N 1 2 235.331 1.784 20 0 BDADLO CCc1noc(C[N@@H+]2CCCC[C@@H]2COC)n1 ZINC000650300341 398077364 /nfs/dbraw/zinc/07/73/64/398077364.db2.gz DPOAJNLUJBTJEM-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@H+]2CCCC[C@@H]2COC)n1 ZINC000650300341 398077367 /nfs/dbraw/zinc/07/73/67/398077367.db2.gz DPOAJNLUJBTJEM-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCO ZINC000287545607 398083419 /nfs/dbraw/zinc/08/34/19/398083419.db2.gz OOPMOVPHWVSIFG-UHFFFAOYSA-N 1 2 223.276 1.154 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](OC(C)C)C2)[nH]1 ZINC000649703673 398051107 /nfs/dbraw/zinc/05/11/07/398051107.db2.gz JNVJBNPKTGQTDJ-LLVKDONJSA-N 1 2 238.335 1.503 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)[nH]1 ZINC000649703673 398051111 /nfs/dbraw/zinc/05/11/11/398051111.db2.gz JNVJBNPKTGQTDJ-LLVKDONJSA-N 1 2 238.335 1.503 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccccc1OC ZINC000050066324 398052821 /nfs/dbraw/zinc/05/28/21/398052821.db2.gz QRNVWTIEWKSUBB-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccccc1OC ZINC000050066324 398052823 /nfs/dbraw/zinc/05/28/23/398052823.db2.gz QRNVWTIEWKSUBB-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO O=C([O-])CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035386200 398091983 /nfs/dbraw/zinc/09/19/83/398091983.db2.gz BDDDUYPZLLIMIX-UHFFFAOYSA-N 1 2 245.282 1.437 20 0 BDADLO Cc1cnc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000340051893 398056640 /nfs/dbraw/zinc/05/66/40/398056640.db2.gz TYZVBFZMSDHOBK-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000643251755 398112064 /nfs/dbraw/zinc/11/20/64/398112064.db2.gz OVOJJUQDVVAUDA-BDAKNGLRSA-N 1 2 234.303 1.071 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000643251755 398112070 /nfs/dbraw/zinc/11/20/70/398112070.db2.gz OVOJJUQDVVAUDA-BDAKNGLRSA-N 1 2 234.303 1.071 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)CC(C)(C)C)CCO1 ZINC000523436375 398113379 /nfs/dbraw/zinc/11/33/79/398113379.db2.gz CBHBAQLLAMAJOF-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)CC(C)(C)C)CCO1 ZINC000523436375 398113382 /nfs/dbraw/zinc/11/33/82/398113382.db2.gz CBHBAQLLAMAJOF-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCOC[C@H](Nc1nc(C)[nH+]c(N)n1)C(C)C ZINC000310285225 398130521 /nfs/dbraw/zinc/13/05/21/398130521.db2.gz XNALPZOKFZGTMC-VIFPVBQESA-N 1 2 239.323 1.235 20 0 BDADLO CCOC[C@H](Nc1nc(N)nc(C)[nH+]1)C(C)C ZINC000310285225 398130526 /nfs/dbraw/zinc/13/05/26/398130526.db2.gz XNALPZOKFZGTMC-VIFPVBQESA-N 1 2 239.323 1.235 20 0 BDADLO Cc1[nH+]cccc1Cn1ncc2c1C[C@H](O)CC2 ZINC000685580666 487558279 /nfs/dbraw/zinc/55/82/79/487558279.db2.gz LOUCMCBDIJYIPM-CYBMUJFWSA-N 1 2 243.310 1.484 20 0 BDADLO Cc1ncccc1COCc1[nH]cc[nH+]1 ZINC000685585474 487559184 /nfs/dbraw/zinc/55/91/84/487559184.db2.gz MJIPUVNXBPLHMA-UHFFFAOYSA-N 1 2 203.245 1.830 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@H]1CCCCO1 ZINC000680320972 487560447 /nfs/dbraw/zinc/56/04/47/487560447.db2.gz BOILXEJNNGGQPN-GFCCVEGCSA-N 1 2 249.314 1.077 20 0 BDADLO CC(C)OC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000173568936 167153779 /nfs/dbraw/zinc/15/37/79/167153779.db2.gz PBOJJTLRVALPEE-UHFFFAOYSA-N 1 2 242.344 1.917 20 0 BDADLO CC(C)OC(=O)CC[N@H+](C)Cc1cscn1 ZINC000173568936 167153774 /nfs/dbraw/zinc/15/37/74/167153774.db2.gz PBOJJTLRVALPEE-UHFFFAOYSA-N 1 2 242.344 1.917 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2cocn2)[nH+]1 ZINC000674337272 487561733 /nfs/dbraw/zinc/56/17/33/487561733.db2.gz SFYMNEFKKXWEIF-UHFFFAOYSA-N 1 2 229.243 1.866 20 0 BDADLO C[C@@H]([NH2+]CCO)c1nc(C(C)(C)C)no1 ZINC000185211010 175880873 /nfs/dbraw/zinc/88/08/73/175880873.db2.gz IOMSHAKCNWIZDN-SSDOTTSWSA-N 1 2 213.281 1.010 20 0 BDADLO COCCOc1ccccc1-n1cc[nH+]c1 ZINC000530717066 322891371 /nfs/dbraw/zinc/89/13/71/322891371.db2.gz SWIDANKRYQNRRY-UHFFFAOYSA-N 1 2 218.256 1.898 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1snnc1C1CC1 ZINC000685752592 487576515 /nfs/dbraw/zinc/57/65/15/487576515.db2.gz NLODZVYVOXBJTR-UHFFFAOYSA-N 1 2 249.299 1.069 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1snnc1C1CC1 ZINC000685752592 487576517 /nfs/dbraw/zinc/57/65/17/487576517.db2.gz NLODZVYVOXBJTR-UHFFFAOYSA-N 1 2 249.299 1.069 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C1CC1 ZINC000530958536 322907175 /nfs/dbraw/zinc/90/71/75/322907175.db2.gz VKWZFZXXQBHTGE-CHWSQXEVSA-N 1 2 247.342 1.826 20 0 BDADLO CC(C)OCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362064015 167235928 /nfs/dbraw/zinc/23/59/28/167235928.db2.gz IUQGBMRHNLFNKQ-GHMZBOCLSA-N 1 2 233.377 1.253 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2n[nH]cc2C)cn1 ZINC000685837503 487583808 /nfs/dbraw/zinc/58/38/08/487583808.db2.gz GCLJIHYSKFQBOL-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2n[nH]cc2C)cn1 ZINC000685837503 487583811 /nfs/dbraw/zinc/58/38/11/487583811.db2.gz GCLJIHYSKFQBOL-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CC(C)(C)OCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000530278406 487593679 /nfs/dbraw/zinc/59/36/79/487593679.db2.gz BWJIRJYISGUKFG-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CC(C)(C)OCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000530278406 487593681 /nfs/dbraw/zinc/59/36/81/487593681.db2.gz BWJIRJYISGUKFG-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CC(C)S(=O)(=O)CC[NH2+]Cc1cscn1 ZINC000290110141 167317789 /nfs/dbraw/zinc/31/77/89/167317789.db2.gz IENNCOMECDDYHN-UHFFFAOYSA-N 1 2 248.373 1.056 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668823746 487604727 /nfs/dbraw/zinc/60/47/27/487604727.db2.gz BSMNMUNIQWBSCB-GFCCVEGCSA-N 1 2 244.285 1.881 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668823746 487604731 /nfs/dbraw/zinc/60/47/31/487604731.db2.gz BSMNMUNIQWBSCB-GFCCVEGCSA-N 1 2 244.285 1.881 20 0 BDADLO CC(C)SCC[N@H+](C)Cc1nncn1C ZINC000336688449 167323569 /nfs/dbraw/zinc/32/35/69/167323569.db2.gz LQAONUGDVWAWSV-UHFFFAOYSA-N 1 2 228.365 1.389 20 0 BDADLO CC(C)SCC[N@@H+](C)Cc1nncn1C ZINC000336688449 167323571 /nfs/dbraw/zinc/32/35/71/167323571.db2.gz LQAONUGDVWAWSV-UHFFFAOYSA-N 1 2 228.365 1.389 20 0 BDADLO CCc1cc(NCCC[C@H]2CCOC2)nc[nH+]1 ZINC000402305902 487606816 /nfs/dbraw/zinc/60/68/16/487606816.db2.gz PQHUSKDGTVGZFQ-NSHDSACASA-N 1 2 235.331 1.690 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335201777 487607500 /nfs/dbraw/zinc/60/75/00/487607500.db2.gz XDSMOBGXAXRADE-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335201777 487607506 /nfs/dbraw/zinc/60/75/06/487607506.db2.gz XDSMOBGXAXRADE-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO c1coc([C@H]2C[N@H+]([C@H]3CCCOC3)CCO2)c1 ZINC000674695200 487607750 /nfs/dbraw/zinc/60/77/50/487607750.db2.gz RFWCTBUHLVNLBW-WCQYABFASA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)c1 ZINC000674695200 487607752 /nfs/dbraw/zinc/60/77/52/487607752.db2.gz RFWCTBUHLVNLBW-WCQYABFASA-N 1 2 237.299 1.832 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOC2CCC2)s1 ZINC000662254816 409551632 /nfs/dbraw/zinc/55/16/32/409551632.db2.gz AAUCTDRNVOEIJO-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOC2CCC2)s1 ZINC000662254816 409551643 /nfs/dbraw/zinc/55/16/43/409551643.db2.gz AAUCTDRNVOEIJO-UHFFFAOYSA-N 1 2 241.360 1.847 20 0 BDADLO CC12CC(C1)C[N@@H+]2Cc1cc(=O)n2[nH]ccc2n1 ZINC000662384666 409686203 /nfs/dbraw/zinc/68/62/03/409686203.db2.gz SJLPFQYGCDOCPA-UHFFFAOYSA-N 1 2 244.298 1.007 20 0 BDADLO CC12CC(C1)C[N@H+]2Cc1cc(=O)n2[nH]ccc2n1 ZINC000662384666 409686214 /nfs/dbraw/zinc/68/62/14/409686214.db2.gz SJLPFQYGCDOCPA-UHFFFAOYSA-N 1 2 244.298 1.007 20 0 BDADLO Cn1cc(C[NH2+]Cc2ncc[nH]2)c(C(C)(C)C)n1 ZINC000127908557 409829277 /nfs/dbraw/zinc/82/92/77/409829277.db2.gz LXSLJCWXVJFQQO-UHFFFAOYSA-N 1 2 247.346 1.731 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660843252 409837054 /nfs/dbraw/zinc/83/70/54/409837054.db2.gz FVLMOUYKIXAESH-KXUCPTDWSA-N 1 2 237.303 1.643 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660843252 409837060 /nfs/dbraw/zinc/83/70/60/409837060.db2.gz FVLMOUYKIXAESH-KXUCPTDWSA-N 1 2 237.303 1.643 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CCN(C(=O)C3CC3)C2)CO1 ZINC000660835466 409817760 /nfs/dbraw/zinc/81/77/60/409817760.db2.gz JBZPZZIWMYLUJP-LLVKDONJSA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CCN(C(=O)C3CC3)C2)CO1 ZINC000660835466 409817769 /nfs/dbraw/zinc/81/77/69/409817769.db2.gz JBZPZZIWMYLUJP-LLVKDONJSA-N 1 2 238.331 1.066 20 0 BDADLO CCN(C(=O)CCn1cc[nH+]c1)c1cnn(C)c1 ZINC000655332088 409900384 /nfs/dbraw/zinc/90/03/84/409900384.db2.gz ZCKMUEVNMRSWGF-UHFFFAOYSA-N 1 2 247.302 1.060 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(OC)no2)[C@@H](C)CO1 ZINC000660915332 409962977 /nfs/dbraw/zinc/96/29/77/409962977.db2.gz ZKHSHAMGEBRVTF-UWVGGRQHSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(OC)no2)[C@@H](C)CO1 ZINC000660915332 409962985 /nfs/dbraw/zinc/96/29/85/409962985.db2.gz ZKHSHAMGEBRVTF-UWVGGRQHSA-N 1 2 240.303 1.683 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1[nH]cc[nH+]1 ZINC000655401983 410205285 /nfs/dbraw/zinc/20/52/85/410205285.db2.gz OTHUSZRLFDBZSF-UTINFBMNSA-N 1 2 247.298 1.202 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCC(=O)C[C@H]1C)c1[nH]cc[nH+]1 ZINC000655403453 410209051 /nfs/dbraw/zinc/20/90/51/410209051.db2.gz BULDTTVENAAHNU-KKZNHRDASA-N 1 2 249.314 1.592 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000655423471 410233375 /nfs/dbraw/zinc/23/33/75/410233375.db2.gz UXNJCGASYJWPTK-AGIUHOORSA-N 1 2 247.342 1.968 20 0 BDADLO O=C([C@H]1C[C@@H](O)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000635456008 410439816 /nfs/dbraw/zinc/43/98/16/410439816.db2.gz KZTZQZRIIVDLQL-OUAUKWLOSA-N 1 2 249.314 1.234 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363202901 169758577 /nfs/dbraw/zinc/75/85/77/169758577.db2.gz ZJYSKIBJMFDTGB-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO C[C@H](NC(=O)Nc1cccnc1)c1[nH+]ccn1C ZINC000664455344 410584885 /nfs/dbraw/zinc/58/48/85/410584885.db2.gz YYLRXUKQRQOUIQ-VIFPVBQESA-N 1 2 245.286 1.698 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)nc(C)n1 ZINC000660778451 487617673 /nfs/dbraw/zinc/61/76/73/487617673.db2.gz DPOLIZQJWNSGSD-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO Cn1nnnc1C[NH+]1CCC(C2CCC2)CC1 ZINC000661375793 410591575 /nfs/dbraw/zinc/59/15/75/410591575.db2.gz DIOCUSWGMIZJNG-UHFFFAOYSA-N 1 2 235.335 1.222 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000664525766 410594426 /nfs/dbraw/zinc/59/44/26/410594426.db2.gz QOXRDNQAFOZTFR-HBNTYKKESA-N 1 2 248.330 1.116 20 0 BDADLO C[C@H](O)CNc1cc(N2CC[C@@H]3C[C@@H]3C2)[nH+]cn1 ZINC000664525766 410594431 /nfs/dbraw/zinc/59/44/31/410594431.db2.gz QOXRDNQAFOZTFR-HBNTYKKESA-N 1 2 248.330 1.116 20 0 BDADLO C[N@H+](Cc1nc(-c2ccco2)no1)C1CC(O)C1 ZINC000680580881 487617880 /nfs/dbraw/zinc/61/78/80/487617880.db2.gz HNZRNMRQPBTGMY-UHFFFAOYSA-N 1 2 249.270 1.285 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccco2)no1)C1CC(O)C1 ZINC000680580881 487617882 /nfs/dbraw/zinc/61/78/82/487617882.db2.gz HNZRNMRQPBTGMY-UHFFFAOYSA-N 1 2 249.270 1.285 20 0 BDADLO CC(C)CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397677 410613050 /nfs/dbraw/zinc/61/30/50/410613050.db2.gz LHMAOWAQRPBJCR-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661397677 410613053 /nfs/dbraw/zinc/61/30/53/410613053.db2.gz LHMAOWAQRPBJCR-SECBINFHSA-N 1 2 207.264 1.734 20 0 BDADLO Nc1[nH+]cnc(NCCOCCF)c1Cl ZINC000664673419 410616401 /nfs/dbraw/zinc/61/64/01/410616401.db2.gz ACDZTQNRVVFXHJ-UHFFFAOYSA-N 1 2 234.662 1.110 20 0 BDADLO Nc1nc[nH+]c(NCCOCCF)c1Cl ZINC000664673419 410616405 /nfs/dbraw/zinc/61/64/05/410616405.db2.gz ACDZTQNRVVFXHJ-UHFFFAOYSA-N 1 2 234.662 1.110 20 0 BDADLO COC(C)(C)CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661409865 410621707 /nfs/dbraw/zinc/62/17/07/410621707.db2.gz XMDYURUKRZDSGS-SECBINFHSA-N 1 2 237.290 1.503 20 0 BDADLO COC(C)(C)CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661409865 410621712 /nfs/dbraw/zinc/62/17/12/410621712.db2.gz XMDYURUKRZDSGS-SECBINFHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[NH+](CC)CC(=O)N=c1ccn(C(C)C)[nH]1 ZINC000337573432 169765653 /nfs/dbraw/zinc/76/56/53/169765653.db2.gz URQZPLGJZBIGQF-UHFFFAOYSA-N 1 2 238.335 1.166 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H](O)C(C)(C)C)o1 ZINC000661529198 410728712 /nfs/dbraw/zinc/72/87/12/410728712.db2.gz RKHDJRCKTNLYNP-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)C(C)(C)C)o1 ZINC000661529198 410728716 /nfs/dbraw/zinc/72/87/16/410728716.db2.gz RKHDJRCKTNLYNP-SECBINFHSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nccc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)n1 ZINC000661539047 410736950 /nfs/dbraw/zinc/73/69/50/410736950.db2.gz NFIOYDCHOAWCEU-NXEZZACHSA-N 1 2 233.315 1.442 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)c1cscn1)C(N)=O ZINC000393617070 410749904 /nfs/dbraw/zinc/74/99/04/410749904.db2.gz HKIDZIVNEQAPOE-RNFRBKRXSA-N 1 2 213.306 1.058 20 0 BDADLO CC(C)NC(=O)CN(C)c1cccc[nH+]1 ZINC000298147845 167047979 /nfs/dbraw/zinc/04/79/79/167047979.db2.gz FFNUEMCSGAGSFB-UHFFFAOYSA-N 1 2 207.277 1.042 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCn1cccn1 ZINC000177486538 167168422 /nfs/dbraw/zinc/16/84/22/167168422.db2.gz PLWOYKMUQIMOFP-LLVKDONJSA-N 1 2 239.319 1.155 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCn1cccn1 ZINC000177486538 167168423 /nfs/dbraw/zinc/16/84/23/167168423.db2.gz PLWOYKMUQIMOFP-LLVKDONJSA-N 1 2 239.319 1.155 20 0 BDADLO CC(C)OCCNc1[nH+]cnc2c1cnn2C ZINC000168626736 167247003 /nfs/dbraw/zinc/24/70/03/167247003.db2.gz POQVWNSSQWKIQB-UHFFFAOYSA-N 1 2 235.291 1.200 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264987207 167352227 /nfs/dbraw/zinc/35/22/27/167352227.db2.gz JJNOAPARAAUWEN-SECBINFHSA-N 1 2 209.293 1.328 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000041816218 410938490 /nfs/dbraw/zinc/93/84/90/410938490.db2.gz NRTSTJYXPRGQEU-UHFFFAOYSA-N 1 2 249.701 1.967 20 0 BDADLO CC(C)[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000275964812 167388363 /nfs/dbraw/zinc/38/83/63/167388363.db2.gz DVRQURTWAKIAKF-SSDOTTSWSA-N 1 2 234.307 1.402 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC000651323099 410920437 /nfs/dbraw/zinc/92/04/37/410920437.db2.gz POWOESIDYMFBHV-QWRGUYRKSA-N 1 2 235.331 1.997 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000274824817 167500404 /nfs/dbraw/zinc/50/04/04/167500404.db2.gz FSKQAXORBMWNHM-NEPJUHHUSA-N 1 2 247.342 1.902 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](CO)CCF)[nH+]1 ZINC000651463360 411047949 /nfs/dbraw/zinc/04/79/49/411047949.db2.gz QVTKIDTUNCHTDY-MRVPVSSYSA-N 1 2 238.266 1.399 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](CO)CCF)[nH+]1 ZINC000651463361 411048640 /nfs/dbraw/zinc/04/86/40/411048640.db2.gz QVTKIDTUNCHTDY-QMMMGPOBSA-N 1 2 238.266 1.399 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC=CC1 ZINC000651496633 411071317 /nfs/dbraw/zinc/07/13/17/411071317.db2.gz GRAFAUCHKWGCDY-UHFFFAOYSA-N 1 2 245.326 1.597 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000651499443 411073970 /nfs/dbraw/zinc/07/39/70/411073970.db2.gz ZFFHWTDNUGOKAI-QXEWZRGKSA-N 1 2 223.320 1.936 20 0 BDADLO C[C@@H](c1csnn1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661622694 411076496 /nfs/dbraw/zinc/07/64/96/411076496.db2.gz VKCSVDOWCKROEF-HLTSFMKQSA-N 1 2 241.360 1.548 20 0 BDADLO Cc1cc(N2CCC([C@H](C)CO)CC2)nc[nH+]1 ZINC000651431400 411021615 /nfs/dbraw/zinc/02/16/15/411021615.db2.gz ZBJRGEHPMBVGJD-SNVBAGLBSA-N 1 2 235.331 1.630 20 0 BDADLO COC(=O)CCCNc1nc(C)[nH+]cc1C ZINC000521899127 411037447 /nfs/dbraw/zinc/03/74/47/411037447.db2.gz KQKVGAPBSYGHQN-UHFFFAOYSA-N 1 2 223.276 1.459 20 0 BDADLO CN1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651603963 411129550 /nfs/dbraw/zinc/12/95/50/411129550.db2.gz MCCGBWYQUBURQL-UHFFFAOYSA-N 1 2 231.299 1.575 20 0 BDADLO COC[C@@H](CC(C)(C)C)[NH2+]CC(F)(F)CO ZINC000651764280 411142483 /nfs/dbraw/zinc/14/24/83/411142483.db2.gz OWPVTKVLKSWOHI-SECBINFHSA-N 1 2 239.306 1.655 20 0 BDADLO CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045310085 411145181 /nfs/dbraw/zinc/14/51/81/411145181.db2.gz YLPVKIBEOHJULO-UHFFFAOYSA-N 1 2 234.303 1.111 20 0 BDADLO C[C@H](CC(=O)N1CC(C)(C)C1)n1cc[nH+]c1 ZINC000651931256 411150911 /nfs/dbraw/zinc/15/09/11/411150911.db2.gz OSYRWINUCLSVTI-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)Cc1nccs1 ZINC000659977616 411152823 /nfs/dbraw/zinc/15/28/23/411152823.db2.gz SVFHGNCAXXREOS-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO COCc1cc[nH+]c(NC[C@H](C)COC)c1 ZINC000652067711 411103167 /nfs/dbraw/zinc/10/31/67/411103167.db2.gz DKXFBJGCUJVENQ-JTQLQIEISA-N 1 2 224.304 1.922 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC12CC2 ZINC000652465857 411248149 /nfs/dbraw/zinc/24/81/49/411248149.db2.gz IDAROXRECHAIEK-NSHDSACASA-N 1 2 245.326 1.431 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccco1 ZINC000656103353 411178964 /nfs/dbraw/zinc/17/89/64/411178964.db2.gz DABVLFANIVDLRF-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO COc1c(C)[nH+]cnc1NCCOCC1CC1 ZINC000656123306 411182473 /nfs/dbraw/zinc/18/24/73/411182473.db2.gz JBBFHZAGVJNXLG-UHFFFAOYSA-N 1 2 237.303 1.632 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@]1(C)CCCO1 ZINC000656144734 411186054 /nfs/dbraw/zinc/18/60/54/411186054.db2.gz MMOFKPLKHGEMQJ-LBPRGKRZSA-N 1 2 237.303 1.775 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CCO[C@H](C)C1 ZINC000656151843 411187308 /nfs/dbraw/zinc/18/73/08/411187308.db2.gz LDLJHLKKDLSRBR-PSASIEDQSA-N 1 2 237.303 1.773 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](O)[C@@H](C)C1 ZINC000656164108 411189442 /nfs/dbraw/zinc/18/94/42/411189442.db2.gz CQSRGRVJPBEKMH-GXSJLCMTSA-N 1 2 221.304 1.301 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cccnn1 ZINC000656179077 411193246 /nfs/dbraw/zinc/19/32/46/411193246.db2.gz OPAWLMMAMUKQQL-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](CO)CCF ZINC000652305024 411195061 /nfs/dbraw/zinc/19/50/61/411195061.db2.gz TWIYFHFUAQYSPI-VXNVDRBHSA-N 1 2 215.272 1.089 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](CO)CCF ZINC000652305020 411195288 /nfs/dbraw/zinc/19/52/88/411195288.db2.gz TWIYFHFUAQYSPI-APPZFPTMSA-N 1 2 215.272 1.089 20 0 BDADLO CC[C@H](CNc1nc[nH+]c(C)c1OC)OC ZINC000656189119 411197701 /nfs/dbraw/zinc/19/77/01/411197701.db2.gz XLWRRIXTUVAEMN-SECBINFHSA-N 1 2 225.292 1.631 20 0 BDADLO CC(F)(F)C[NH2+][C@@H]1CCCn2nccc21 ZINC000658024371 411201453 /nfs/dbraw/zinc/20/14/53/411201453.db2.gz XAHDTIARNZGUTH-MRVPVSSYSA-N 1 2 215.247 1.963 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N2CC(C)(C)C2)c2[nH+]ccn21 ZINC000656199208 411202098 /nfs/dbraw/zinc/20/20/98/411202098.db2.gz UICXHSQLXYXTKH-NXEZZACHSA-N 1 2 248.330 1.940 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CCn3ccnc32)c1 ZINC000652330802 411202585 /nfs/dbraw/zinc/20/25/85/411202585.db2.gz PXOJUKRCLOJVPT-LLVKDONJSA-N 1 2 244.298 1.981 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](O)C1CCC1 ZINC000656198185 411202867 /nfs/dbraw/zinc/20/28/67/411202867.db2.gz KRCSRXNWNGPHDX-JTQLQIEISA-N 1 2 237.303 1.367 20 0 BDADLO CCc1nc([C@H]2CCCC[N@@H+]2C[C@H](C)O)no1 ZINC000656415580 411245548 /nfs/dbraw/zinc/24/55/48/411245548.db2.gz NGRIYFFULWBSLR-VHSXEESVSA-N 1 2 239.319 1.540 20 0 BDADLO CCc1nc([C@H]2CCCC[N@H+]2C[C@H](C)O)no1 ZINC000656415580 411245550 /nfs/dbraw/zinc/24/55/50/411245550.db2.gz NGRIYFFULWBSLR-VHSXEESVSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)noc2C)CCO1 ZINC000045752107 411248583 /nfs/dbraw/zinc/24/85/83/411248583.db2.gz QNVLIVHNKXJLMR-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)noc2C)CCO1 ZINC000045752107 411248585 /nfs/dbraw/zinc/24/85/85/411248585.db2.gz QNVLIVHNKXJLMR-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C[C@H](C)O)C2CC2)[nH+]1 ZINC000656229573 411215538 /nfs/dbraw/zinc/21/55/38/411215538.db2.gz AHTWQFHFBZYTKE-QMMMGPOBSA-N 1 2 246.314 1.616 20 0 BDADLO C[C@H](O)C[N@H+](CC(=O)c1cccn1C)C1CC1 ZINC000653900226 411216086 /nfs/dbraw/zinc/21/60/86/411216086.db2.gz RCFHTKUDLXOILK-JTQLQIEISA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)C[N@@H+](CC(=O)c1cccn1C)C1CC1 ZINC000653900226 411216088 /nfs/dbraw/zinc/21/60/88/411216088.db2.gz RCFHTKUDLXOILK-JTQLQIEISA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[N@H+](CC(=O)c1cccn1C)C1CC1 ZINC000653900227 411216542 /nfs/dbraw/zinc/21/65/42/411216542.db2.gz RCFHTKUDLXOILK-SNVBAGLBSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(=O)c1cccn1C)C1CC1 ZINC000653900227 411216543 /nfs/dbraw/zinc/21/65/43/411216543.db2.gz RCFHTKUDLXOILK-SNVBAGLBSA-N 1 2 236.315 1.053 20 0 BDADLO CCc1ncc(C[NH+]2CC3(CC3(F)F)C2)cn1 ZINC000656265649 411221356 /nfs/dbraw/zinc/22/13/56/411221356.db2.gz UJIGXDIOFQAPNU-UHFFFAOYSA-N 1 2 239.269 1.880 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)NCCC2CC2)c2[nH+]ccn21 ZINC000652393303 411224619 /nfs/dbraw/zinc/22/46/19/411224619.db2.gz QIRBVLDQVCFRHJ-MWLCHTKSSA-N 1 2 248.330 1.988 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000658061006 411227714 /nfs/dbraw/zinc/22/77/14/411227714.db2.gz ZKIQTCJLHDGKPG-SCZZXKLOSA-N 1 2 223.320 1.936 20 0 BDADLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1Nc1ccc(C)cc1 ZINC000422976344 411236710 /nfs/dbraw/zinc/23/67/10/411236710.db2.gz CVYOMYADOHODHL-QWHCGFSZSA-N 1 2 248.326 1.701 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)[nH]1 ZINC000658158297 411271247 /nfs/dbraw/zinc/27/12/47/411271247.db2.gz XWFGTNJQJWIFAT-DJLDLDEBSA-N 1 2 224.308 1.085 20 0 BDADLO Cc1oncc1NCC(C)(C)[NH+]1CCOCC1 ZINC000653462146 411279528 /nfs/dbraw/zinc/27/95/28/411279528.db2.gz TVMMJFORVXAISF-UHFFFAOYSA-N 1 2 239.319 1.506 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](CCOCC1CCCC1)C2 ZINC000656476232 411282486 /nfs/dbraw/zinc/28/24/86/411282486.db2.gz JZOPJLWLMBETMU-UHFFFAOYSA-N 1 2 249.358 1.975 20 0 BDADLO c1n[nH]c2c1CC[N@H+](CCOCC1CCCC1)C2 ZINC000656476232 411282490 /nfs/dbraw/zinc/28/24/90/411282490.db2.gz JZOPJLWLMBETMU-UHFFFAOYSA-N 1 2 249.358 1.975 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](CCOCC1CCCC1)C2 ZINC000656476232 411282493 /nfs/dbraw/zinc/28/24/93/411282493.db2.gz JZOPJLWLMBETMU-UHFFFAOYSA-N 1 2 249.358 1.975 20 0 BDADLO c1[nH]nc2c1CC[N@H+](CCOCC1CCCC1)C2 ZINC000656476232 411282496 /nfs/dbraw/zinc/28/24/96/411282496.db2.gz JZOPJLWLMBETMU-UHFFFAOYSA-N 1 2 249.358 1.975 20 0 BDADLO FC(F)(F)CC1C[NH+](Cc2cn[nH]c2)C1 ZINC000656686288 411329272 /nfs/dbraw/zinc/32/92/72/411329272.db2.gz APSVAGOEICDYDV-UHFFFAOYSA-N 1 2 219.210 1.794 20 0 BDADLO COCc1cc(C[N@H+]2CC=CCC2)no1 ZINC000656532256 411290373 /nfs/dbraw/zinc/29/03/73/411290373.db2.gz FOTYNJARWCNBKK-UHFFFAOYSA-N 1 2 208.261 1.583 20 0 BDADLO COCc1cc(C[N@@H+]2CC=CCC2)no1 ZINC000656532256 411290376 /nfs/dbraw/zinc/29/03/76/411290376.db2.gz FOTYNJARWCNBKK-UHFFFAOYSA-N 1 2 208.261 1.583 20 0 BDADLO CCCCNc1ncnc2c1C[N@H+](C)CC2 ZINC000299581903 411303036 /nfs/dbraw/zinc/30/30/36/411303036.db2.gz HEZTXJZHSKGVCH-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO CCCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000299581903 411303040 /nfs/dbraw/zinc/30/30/40/411303040.db2.gz HEZTXJZHSKGVCH-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660246887 411306211 /nfs/dbraw/zinc/30/62/11/411306211.db2.gz REIFSIFBDYVRAQ-ZJUUUORDSA-N 1 2 238.335 1.969 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000659829144 411312395 /nfs/dbraw/zinc/31/23/95/411312395.db2.gz NTEWLSVBUZBJFD-UWVGGRQHSA-N 1 2 238.335 1.132 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](CO)C2)[nH]1 ZINC000659829144 411312397 /nfs/dbraw/zinc/31/23/97/411312397.db2.gz NTEWLSVBUZBJFD-UWVGGRQHSA-N 1 2 238.335 1.132 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402836731 411318491 /nfs/dbraw/zinc/31/84/91/411318491.db2.gz XFAYRGYDADNOED-OUAUKWLOSA-N 1 2 231.299 1.628 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C[C@H](C)O)C1CC1 ZINC000654025352 411318873 /nfs/dbraw/zinc/31/88/73/411318873.db2.gz FGWZMXUOBNEYPS-JTQLQIEISA-N 1 2 249.314 1.189 20 0 BDADLO CC(F)(F)CN[C@@H]1CCCn2cc[nH+]c21 ZINC000655770868 411252857 /nfs/dbraw/zinc/25/28/57/411252857.db2.gz SLRLVWPJQUAPME-MRVPVSSYSA-N 1 2 215.247 1.963 20 0 BDADLO C[N@H+](CCc1cncs1)Cc1ncc[nH]1 ZINC000660142028 411257051 /nfs/dbraw/zinc/25/70/51/411257051.db2.gz MIRPNDHFMKLOPY-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1cncs1)Cc1ncc[nH]1 ZINC000660142028 411257055 /nfs/dbraw/zinc/25/70/55/411257055.db2.gz MIRPNDHFMKLOPY-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO Cc1nccc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000660142822 411257687 /nfs/dbraw/zinc/25/76/87/411257687.db2.gz LXUKBMIBQQGZEP-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)no1 ZINC000662132722 411363840 /nfs/dbraw/zinc/36/38/40/411363840.db2.gz AGLRXHLVEPWNNK-BXKDBHETSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)no1 ZINC000662132722 411363843 /nfs/dbraw/zinc/36/38/43/411363843.db2.gz AGLRXHLVEPWNNK-BXKDBHETSA-N 1 2 239.319 1.082 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccnn1C ZINC000658336819 411344588 /nfs/dbraw/zinc/34/45/88/411344588.db2.gz AJCYDTYCXVSMPH-UWVGGRQHSA-N 1 2 233.319 1.565 20 0 BDADLO CNC(=O)C1C[NH+](Cc2cscc2Cl)C1 ZINC000656742994 411344784 /nfs/dbraw/zinc/34/47/84/411344784.db2.gz SKLBGOHYYFYTSF-UHFFFAOYSA-N 1 2 244.747 1.579 20 0 BDADLO CC1(CNC(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000291082011 168031432 /nfs/dbraw/zinc/03/14/32/168031432.db2.gz RPLNRRDKSWKXMF-UHFFFAOYSA-N 1 2 248.330 1.599 20 0 BDADLO CC1(CNc2nc(N)c3ccccc3[nH+]2)COC1 ZINC000301872046 168049947 /nfs/dbraw/zinc/04/99/47/168049947.db2.gz FTAWPWBKMPEDLV-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000279168886 168055098 /nfs/dbraw/zinc/05/50/98/168055098.db2.gz IWLGQEVXOPZVCV-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CC1(c2csc([C@@H]3COCC[NH2+]3)n2)CC1 ZINC000334603933 168072695 /nfs/dbraw/zinc/07/26/95/168072695.db2.gz SNAMEKSPHRSIBL-QMMMGPOBSA-N 1 2 224.329 1.856 20 0 BDADLO CC1=C(C(=O)NCCn2cc[nH+]c2)CCCO1 ZINC000270048429 168076410 /nfs/dbraw/zinc/07/64/10/168076410.db2.gz QHKUWPDMEYDCGT-UHFFFAOYSA-N 1 2 235.287 1.084 20 0 BDADLO CC1=C(C(=O)NCCCn2cc[nH+]c2)CCCO1 ZINC000157584021 168077287 /nfs/dbraw/zinc/07/72/87/168077287.db2.gz WDFMSNVFJQDRDN-UHFFFAOYSA-N 1 2 249.314 1.474 20 0 BDADLO CC1=C(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCO1 ZINC000270059570 168078583 /nfs/dbraw/zinc/07/85/83/168078583.db2.gz UCOQECAHUOEFLH-JTQLQIEISA-N 1 2 249.314 1.472 20 0 BDADLO CC1=CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000280944955 168099093 /nfs/dbraw/zinc/09/90/93/168099093.db2.gz WRZHIZCRGKVROC-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO CC1=CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000280944955 168099094 /nfs/dbraw/zinc/09/90/94/168099094.db2.gz WRZHIZCRGKVROC-UHFFFAOYSA-N 1 2 232.331 1.766 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@H](C)C(F)F ZINC000394818548 411379742 /nfs/dbraw/zinc/37/97/42/411379742.db2.gz DPRQIWKYVXYOKP-SSDOTTSWSA-N 1 2 203.236 1.472 20 0 BDADLO CC1=CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000270107620 168106606 /nfs/dbraw/zinc/10/66/06/168106606.db2.gz IORXLKBJOQXPQT-LBPRGKRZSA-N 1 2 248.330 1.633 20 0 BDADLO CC1=CC[N@H+](CC(=O)Nc2nccs2)CC1 ZINC000270114343 168111075 /nfs/dbraw/zinc/11/10/75/168111075.db2.gz DPFNOFBYMGXTMH-UHFFFAOYSA-N 1 2 237.328 1.734 20 0 BDADLO CC1=CC[N@@H+](CC(=O)Nc2nccs2)CC1 ZINC000270114343 168111076 /nfs/dbraw/zinc/11/10/76/168111076.db2.gz DPFNOFBYMGXTMH-UHFFFAOYSA-N 1 2 237.328 1.734 20 0 BDADLO CC1=CC[N@H+](Cc2nnnn2C(C)(C)C)CC1 ZINC000362320775 168116204 /nfs/dbraw/zinc/11/62/04/168116204.db2.gz MZQCJULHYMGNJE-UHFFFAOYSA-N 1 2 235.335 1.580 20 0 BDADLO CC1=CC[N@@H+](Cc2nnnn2C(C)(C)C)CC1 ZINC000362320775 168116207 /nfs/dbraw/zinc/11/62/07/168116207.db2.gz MZQCJULHYMGNJE-UHFFFAOYSA-N 1 2 235.335 1.580 20 0 BDADLO CC1CC(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000333210301 168143253 /nfs/dbraw/zinc/14/32/53/168143253.db2.gz JWOKHXYERDBZDN-DJRKXVOMSA-N 1 2 248.330 1.987 20 0 BDADLO CCCc1ccc(C[NH+]2CC(O)(COC)C2)cc1 ZINC000656807582 411374751 /nfs/dbraw/zinc/37/47/51/411374751.db2.gz VOXMIYVNYLXJPT-UHFFFAOYSA-N 1 2 249.354 1.832 20 0 BDADLO CC1CC([NH2+][C@@H](c2nnc[nH]2)c2cccnc2)C1 ZINC000294689745 168148576 /nfs/dbraw/zinc/14/85/76/168148576.db2.gz INNGVKHRAFRFMS-QEWOUOOISA-N 1 2 243.314 1.677 20 0 BDADLO CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000074726785 168171419 /nfs/dbraw/zinc/17/14/19/168171419.db2.gz GCCROEWCCFWGDZ-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000074726785 168171421 /nfs/dbraw/zinc/17/14/21/168171421.db2.gz GCCROEWCCFWGDZ-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H]2C)co1 ZINC000659943824 411388537 /nfs/dbraw/zinc/38/85/37/411388537.db2.gz FNVPGBCIXXTQAJ-MRVPVSSYSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H]2C)co1 ZINC000659943824 411388540 /nfs/dbraw/zinc/38/85/40/411388540.db2.gz FNVPGBCIXXTQAJ-MRVPVSSYSA-N 1 2 212.318 1.920 20 0 BDADLO CC1C[NH+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000334398481 168190456 /nfs/dbraw/zinc/19/04/56/168190456.db2.gz LYSDKJPXAUAEFX-UHFFFAOYSA-N 1 2 219.210 1.880 20 0 BDADLO CCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119658865 168218876 /nfs/dbraw/zinc/21/88/76/168218876.db2.gz SEJUUASSPUPCTK-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO CCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122987883 168224653 /nfs/dbraw/zinc/22/46/53/168224653.db2.gz HYXQAJUCQAHUEL-WDEREUQCSA-N 1 2 221.304 1.703 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230586 411382285 /nfs/dbraw/zinc/38/22/85/411382285.db2.gz BVXKXKJZRDJNQP-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230586 411382289 /nfs/dbraw/zinc/38/22/89/411382289.db2.gz BVXKXKJZRDJNQP-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1CC2(CCC2)C1 ZINC000652969723 411382445 /nfs/dbraw/zinc/38/24/45/411382445.db2.gz MFSMCIRCMHXTOW-UHFFFAOYSA-N 1 2 233.315 1.412 20 0 BDADLO CCC(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000130469293 168293167 /nfs/dbraw/zinc/29/31/67/168293167.db2.gz FGSDSLDYARVBQT-UHFFFAOYSA-N 1 2 224.308 1.371 20 0 BDADLO CCCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028328 411394433 /nfs/dbraw/zinc/39/44/33/411394433.db2.gz HUMVXDGSHXRHPJ-UHFFFAOYSA-N 1 2 210.281 1.351 20 0 BDADLO CCCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028328 411394434 /nfs/dbraw/zinc/39/44/34/411394434.db2.gz HUMVXDGSHXRHPJ-UHFFFAOYSA-N 1 2 210.281 1.351 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654434039 411396814 /nfs/dbraw/zinc/39/68/14/411396814.db2.gz HWCZPQOMUYBLNO-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654434039 411396816 /nfs/dbraw/zinc/39/68/16/411396816.db2.gz HWCZPQOMUYBLNO-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)OC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405109938 411416892 /nfs/dbraw/zinc/41/68/92/411416892.db2.gz MSNQXMXUXLRLDB-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405109938 411416895 /nfs/dbraw/zinc/41/68/95/411416895.db2.gz MSNQXMXUXLRLDB-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000660329448 411418036 /nfs/dbraw/zinc/41/80/36/411418036.db2.gz BGCZXQVLXIZAQB-UTLUCORTSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](O)[C@H](C)C2)[nH]1 ZINC000660329448 411418039 /nfs/dbraw/zinc/41/80/39/411418039.db2.gz BGCZXQVLXIZAQB-UTLUCORTSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657208792 411418718 /nfs/dbraw/zinc/41/87/18/411418718.db2.gz BCPSPVCLCMRWJO-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657208792 411418719 /nfs/dbraw/zinc/41/87/19/411418719.db2.gz BCPSPVCLCMRWJO-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CCCC2(C)C)n1 ZINC000653542717 411419295 /nfs/dbraw/zinc/41/92/95/411419295.db2.gz ZLKYJOUAXOCMHY-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CCCC2(C)C)n1 ZINC000653542717 411419297 /nfs/dbraw/zinc/41/92/97/411419297.db2.gz ZLKYJOUAXOCMHY-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC000653564577 411421570 /nfs/dbraw/zinc/42/15/70/411421570.db2.gz CMACPDMTDJHXSR-NXEZZACHSA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC000653564577 411421572 /nfs/dbraw/zinc/42/15/72/411421572.db2.gz CMACPDMTDJHXSR-NXEZZACHSA-N 1 2 237.351 1.658 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCCOC[C@H]2C)on1 ZINC000653587050 411427569 /nfs/dbraw/zinc/42/75/69/411427569.db2.gz NPHCQYXUTICONM-SECBINFHSA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCCOC[C@H]2C)on1 ZINC000653587050 411427570 /nfs/dbraw/zinc/42/75/70/411427570.db2.gz NPHCQYXUTICONM-SECBINFHSA-N 1 2 238.287 1.488 20 0 BDADLO CO[C@H](COCc1[nH]cc[nH+]1)C1CCC1 ZINC000657255645 411428792 /nfs/dbraw/zinc/42/87/92/411428792.db2.gz NINCMLQJSPAMQO-SNVBAGLBSA-N 1 2 210.277 1.741 20 0 BDADLO CN(C)C(=O)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000653594161 411430645 /nfs/dbraw/zinc/43/06/45/411430645.db2.gz AYTJNWYYGIUKAZ-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO CN(C)C(=O)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000653594161 411430647 /nfs/dbraw/zinc/43/06/47/411430647.db2.gz AYTJNWYYGIUKAZ-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCSC1 ZINC000654962975 411467447 /nfs/dbraw/zinc/46/74/47/411467447.db2.gz FLAHYONMPTZRPS-JTQLQIEISA-N 1 2 242.388 1.292 20 0 BDADLO Brc1ccc[nH+]c1N1CCCCN1 ZINC000307180845 411467462 /nfs/dbraw/zinc/46/74/62/411467462.db2.gz LUJIUDAXGICQCX-UHFFFAOYSA-N 1 2 242.120 1.949 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C1CCC1 ZINC000654960942 411467721 /nfs/dbraw/zinc/46/77/21/411467721.db2.gz YQGVXRYFPGVVOO-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C1CCC1 ZINC000654960942 411467724 /nfs/dbraw/zinc/46/77/24/411467724.db2.gz YQGVXRYFPGVVOO-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000654960944 411467927 /nfs/dbraw/zinc/46/79/27/411467927.db2.gz YQGVXRYFPGVVOO-VHSXEESVSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000654960944 411467929 /nfs/dbraw/zinc/46/79/29/411467929.db2.gz YQGVXRYFPGVVOO-VHSXEESVSA-N 1 2 235.331 1.893 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CC[C@@](C)(F)C2)C1 ZINC000654976027 411469484 /nfs/dbraw/zinc/46/94/84/411469484.db2.gz GRABIFOYIUHMJS-GFCCVEGCSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(F)C1 ZINC000654988425 411472003 /nfs/dbraw/zinc/47/20/03/411472003.db2.gz QBWPMKPQPSLXKJ-ZETCQYMHSA-N 1 2 229.230 1.066 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(F)(F)C1 ZINC000654988425 411472006 /nfs/dbraw/zinc/47/20/06/411472006.db2.gz QBWPMKPQPSLXKJ-ZETCQYMHSA-N 1 2 229.230 1.066 20 0 BDADLO Cc1cc(CNCc2[nH]cc(C)[nH+]2)on1 ZINC000657347552 411474679 /nfs/dbraw/zinc/47/46/79/411474679.db2.gz BLYKFGICWPBHLV-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657351372 411475917 /nfs/dbraw/zinc/47/59/17/411475917.db2.gz DLKNDWNZCZVNDU-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](CC)CCOC)[nH]1 ZINC000659851907 411477490 /nfs/dbraw/zinc/47/74/90/411477490.db2.gz GFYRPIOAWXYFNM-VIFPVBQESA-N 1 2 226.324 1.396 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](CC)CCOC)[nH]1 ZINC000659851907 411477492 /nfs/dbraw/zinc/47/74/92/411477492.db2.gz GFYRPIOAWXYFNM-VIFPVBQESA-N 1 2 226.324 1.396 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc3n(n2)CCC3)cn1 ZINC000657367871 411480561 /nfs/dbraw/zinc/48/05/61/411480561.db2.gz WPKRYZXQBZHSQP-UHFFFAOYSA-N 1 2 245.330 1.336 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCCOCC2)[nH]1 ZINC000659861348 411481388 /nfs/dbraw/zinc/48/13/88/411481388.db2.gz STNBDHRBUSEPTL-VIFPVBQESA-N 1 2 224.308 1.150 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCCOCC2)[nH]1 ZINC000659861348 411481390 /nfs/dbraw/zinc/48/13/90/411481390.db2.gz STNBDHRBUSEPTL-VIFPVBQESA-N 1 2 224.308 1.150 20 0 BDADLO CCC1(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000297477490 411481908 /nfs/dbraw/zinc/48/19/08/411481908.db2.gz ZJUXJBDJBHAHIK-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H](O)C(C)C ZINC000659879224 411488497 /nfs/dbraw/zinc/48/84/97/411488497.db2.gz SINFQIRPNSESPV-VIFPVBQESA-N 1 2 225.279 1.217 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H](O)C(C)C ZINC000659879224 411488499 /nfs/dbraw/zinc/48/84/99/411488499.db2.gz SINFQIRPNSESPV-VIFPVBQESA-N 1 2 225.279 1.217 20 0 BDADLO CCOCC[N@H+](CC)[C@H](C)c1nnc(CC)[nH]1 ZINC000659909537 411492351 /nfs/dbraw/zinc/49/23/51/411492351.db2.gz NZGHPVRLTUEXFP-SNVBAGLBSA-N 1 2 240.351 1.787 20 0 BDADLO CCOCC[N@@H+](CC)[C@H](C)c1nnc(CC)[nH]1 ZINC000659909537 411492354 /nfs/dbraw/zinc/49/23/54/411492354.db2.gz NZGHPVRLTUEXFP-SNVBAGLBSA-N 1 2 240.351 1.787 20 0 BDADLO Cc1nc(CN2CCc3c([nH+]cn3C)C2)co1 ZINC000659901789 411492883 /nfs/dbraw/zinc/49/28/83/411492883.db2.gz APKGTWBTSGMKKI-UHFFFAOYSA-N 1 2 232.287 1.275 20 0 BDADLO CCC(C)(CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000655107560 411496208 /nfs/dbraw/zinc/49/62/08/411496208.db2.gz NHQLKUONZFGLNE-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO Cc1nc(C[N@H+](C)CCn2cccn2)co1 ZINC000659919125 411497643 /nfs/dbraw/zinc/49/76/43/411497643.db2.gz PLGSURMKRWCAMQ-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO Cc1nc(C[N@@H+](C)CCn2cccn2)co1 ZINC000659919125 411497645 /nfs/dbraw/zinc/49/76/45/411497645.db2.gz PLGSURMKRWCAMQ-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCC[C@H]2F)C1 ZINC000655146433 411504650 /nfs/dbraw/zinc/50/46/50/411504650.db2.gz IPHXMEANGWVXLT-GHMZBOCLSA-N 1 2 242.338 1.725 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@H]2c2ccco2)c1 ZINC000659936981 411504922 /nfs/dbraw/zinc/50/49/22/411504922.db2.gz YIQZZYQMQVPURS-LBPRGKRZSA-N 1 2 247.298 1.587 20 0 BDADLO CCC[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655795345 411516085 /nfs/dbraw/zinc/51/60/85/411516085.db2.gz AIFYXPRZKKDSSZ-VHSXEESVSA-N 1 2 238.335 1.934 20 0 BDADLO CC[C@@H](C)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655818622 411525688 /nfs/dbraw/zinc/52/56/88/411525688.db2.gz MLGOYXRTFWWESO-ZJUUUORDSA-N 1 2 238.335 1.792 20 0 BDADLO CC(F)(F)CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657477777 411527117 /nfs/dbraw/zinc/52/71/17/411527117.db2.gz ZOCICVBIQKFZEC-UHFFFAOYSA-N 1 2 247.293 1.563 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660010731 411527677 /nfs/dbraw/zinc/52/76/77/411527677.db2.gz LLUCAZUKZUNWLJ-KXUCPTDWSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660010731 411527678 /nfs/dbraw/zinc/52/76/78/411527678.db2.gz LLUCAZUKZUNWLJ-KXUCPTDWSA-N 1 2 235.274 1.520 20 0 BDADLO CCN1OC[C@H]([NH+]2CCC(C(F)F)CC2)C1=O ZINC000660015623 411528840 /nfs/dbraw/zinc/52/88/40/411528840.db2.gz SGSSSYRSNBFCKG-VIFPVBQESA-N 1 2 248.273 1.126 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000120943273 170002915 /nfs/dbraw/zinc/00/29/15/170002915.db2.gz MYMGXVZKDQSTRB-SNVBAGLBSA-N 1 2 223.272 1.573 20 0 BDADLO CC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000120943273 170002916 /nfs/dbraw/zinc/00/29/16/170002916.db2.gz MYMGXVZKDQSTRB-SNVBAGLBSA-N 1 2 223.272 1.573 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC000309061115 170036249 /nfs/dbraw/zinc/03/62/49/170036249.db2.gz WQPKRGYUGQYOLE-IUCAKERBSA-N 1 2 224.270 1.869 20 0 BDADLO CC(C)c1cnc(C[NH2+][C@H]2CCNC2=O)s1 ZINC000657524186 411540965 /nfs/dbraw/zinc/54/09/65/411540965.db2.gz KVNHNSHDWSZXKZ-QMMMGPOBSA-N 1 2 239.344 1.245 20 0 BDADLO CCNC(=O)C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000285437788 170059376 /nfs/dbraw/zinc/05/93/76/170059376.db2.gz FNEKRZWBSNXYOE-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO CCNC(=O)C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285437788 170059377 /nfs/dbraw/zinc/05/93/77/170059377.db2.gz FNEKRZWBSNXYOE-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO CCNC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292129500 170061348 /nfs/dbraw/zinc/06/13/48/170061348.db2.gz BDUXSEAGSSXUAW-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292129500 170061350 /nfs/dbraw/zinc/06/13/50/170061350.db2.gz BDUXSEAGSSXUAW-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCc1nocc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000660137846 411543786 /nfs/dbraw/zinc/54/37/86/411543786.db2.gz WFQAKCRTFBOZFB-UHFFFAOYSA-N 1 2 232.287 1.518 20 0 BDADLO CCc1nocc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000660137846 411543788 /nfs/dbraw/zinc/54/37/88/411543788.db2.gz WFQAKCRTFBOZFB-UHFFFAOYSA-N 1 2 232.287 1.518 20 0 BDADLO CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000048414218 170080654 /nfs/dbraw/zinc/08/06/54/170080654.db2.gz XMEGEULRAVWCHB-UHFFFAOYSA-N 1 2 232.287 1.196 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2csnn2)CO1 ZINC000657497347 411536151 /nfs/dbraw/zinc/53/61/51/411536151.db2.gz WABDXYHLRQHWPF-DJLDLDEBSA-N 1 2 227.333 1.756 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)c2ncnn21 ZINC000657567596 411552911 /nfs/dbraw/zinc/55/29/11/411552911.db2.gz CJYOKAKZAFOIMM-MWLCHTKSSA-N 1 2 231.303 1.412 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)nc1 ZINC000657568951 411553595 /nfs/dbraw/zinc/55/35/95/411553595.db2.gz LSZQHMUUVQSZGF-JQWIXIFHSA-N 1 2 243.314 1.777 20 0 BDADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142230 411544837 /nfs/dbraw/zinc/54/48/37/411544837.db2.gz RQPIEJAOVLUTQT-NSHDSACASA-N 1 2 225.336 1.903 20 0 BDADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142230 411544838 /nfs/dbraw/zinc/54/48/38/411544838.db2.gz RQPIEJAOVLUTQT-NSHDSACASA-N 1 2 225.336 1.903 20 0 BDADLO CCOC(=O)C(C)(C)NCCCn1cc[nH+]c1 ZINC000182748618 170187301 /nfs/dbraw/zinc/18/73/01/170187301.db2.gz LXCGZWATOPUWBM-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCCn1ccnc1 ZINC000182748618 170187303 /nfs/dbraw/zinc/18/73/03/170187303.db2.gz LXCGZWATOPUWBM-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOC(C)C ZINC000102826619 170187414 /nfs/dbraw/zinc/18/74/14/170187414.db2.gz NVUNVLCFXLPJNY-UHFFFAOYSA-N 1 2 217.309 1.343 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCSCC ZINC000121503716 170187551 /nfs/dbraw/zinc/18/75/51/170187551.db2.gz CRDYKEJPHBVHQY-UHFFFAOYSA-N 1 2 219.350 1.671 20 0 BDADLO CCOC(=O)C1CC[NH+](Cc2ncccn2)CC1 ZINC000054462307 170192904 /nfs/dbraw/zinc/19/29/04/170192904.db2.gz HYDPUXAALOYBSK-UHFFFAOYSA-N 1 2 249.314 1.252 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 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/nfs/dbraw/zinc/24/19/39/170241939.db2.gz NHXVOHISOFHVJL-UHFFFAOYSA-N 1 2 237.259 1.075 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H](CC)OC ZINC000357302814 170249681 /nfs/dbraw/zinc/24/96/81/170249681.db2.gz SPPZPRLZFCCWGL-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191055776 170258068 /nfs/dbraw/zinc/25/80/68/170258068.db2.gz ILOPAZWWFBAKFD-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191055776 170258069 /nfs/dbraw/zinc/25/80/69/170258069.db2.gz ILOPAZWWFBAKFD-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO COCc1nnc(C[NH2+]C2CCC(C)CC2)[nH]1 ZINC000657607104 411561201 /nfs/dbraw/zinc/56/12/01/411561201.db2.gz BRDIJYBEWPJSMK-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](Cc1cccnc1)C1CC1 ZINC000190820637 170266859 /nfs/dbraw/zinc/26/68/59/170266859.db2.gz VJFMNNXNDRXQDX-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](Cc1cccnc1)C1CC1 ZINC000190820637 170266860 /nfs/dbraw/zinc/26/68/60/170266860.db2.gz VJFMNNXNDRXQDX-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000043637536 170267559 /nfs/dbraw/zinc/26/75/59/170267559.db2.gz AIAZDJKYFZRFOL-JTQLQIEISA-N 1 2 239.290 1.909 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000336782393 170268001 /nfs/dbraw/zinc/26/80/01/170268001.db2.gz XMGPPBBOTBXMFY-AXFHLTTASA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000336776070 170268800 /nfs/dbraw/zinc/26/88/00/170268800.db2.gz DPTXBQCOBSTHQN-JBLDHEPKSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H](C)OC ZINC000341483375 170271119 /nfs/dbraw/zinc/27/11/19/170271119.db2.gz KEWQGDOKGHEPGK-WOPDTQHZSA-N 1 2 245.363 1.977 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)[nH]1 ZINC000657608966 411562285 /nfs/dbraw/zinc/56/22/85/411562285.db2.gz GUNJJRQWPGJVDQ-DJLDLDEBSA-N 1 2 224.308 1.085 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)[nH]1 ZINC000657608968 411562448 /nfs/dbraw/zinc/56/24/48/411562448.db2.gz GUNJJRQWPGJVDQ-IWSPIJDZSA-N 1 2 224.308 1.085 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000657610886 411563473 /nfs/dbraw/zinc/56/34/73/411563473.db2.gz RZDHRAIWAAJHPZ-XYPYZODXSA-N 1 2 209.293 1.375 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000660277283 411564079 /nfs/dbraw/zinc/56/40/79/411564079.db2.gz KQKJEAGSVDPMEI-OUAUKWLOSA-N 1 2 248.330 1.236 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000660277283 411564081 /nfs/dbraw/zinc/56/40/81/411564081.db2.gz KQKJEAGSVDPMEI-OUAUKWLOSA-N 1 2 248.330 1.236 20 0 BDADLO O=C1N=NC2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CCN12 ZINC000660277283 411564083 /nfs/dbraw/zinc/56/40/83/411564083.db2.gz KQKJEAGSVDPMEI-OUAUKWLOSA-N 1 2 248.330 1.236 20 0 BDADLO O=C1N=NC2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CCN12 ZINC000660277283 411564084 /nfs/dbraw/zinc/56/40/84/411564084.db2.gz KQKJEAGSVDPMEI-OUAUKWLOSA-N 1 2 248.330 1.236 20 0 BDADLO CCOC1CC(N(C)C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000293400467 170326936 /nfs/dbraw/zinc/32/69/36/170326936.db2.gz MNIYIYDCUWSTCV-SNAWJCMRSA-N 1 2 249.314 1.449 20 0 BDADLO CCOC1C[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000296118360 170336328 /nfs/dbraw/zinc/33/63/28/170336328.db2.gz LHHWOSQGBQEGNK-ZDUSSCGKSA-N 1 2 239.290 1.580 20 0 BDADLO CCOC1CN(c2cc(C)[nH+]c(CC)n2)C1 ZINC000294175361 170336684 /nfs/dbraw/zinc/33/66/84/170336684.db2.gz SEGHXQACJYDGBN-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1ncc[nH]1 ZINC000657661227 411575832 /nfs/dbraw/zinc/57/58/32/411575832.db2.gz DLPCDAVWOSFKLV-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO CCOCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000112523120 170363619 /nfs/dbraw/zinc/36/36/19/170363619.db2.gz FAPNYHYIYSISFT-UHFFFAOYSA-N 1 2 237.303 1.513 20 0 BDADLO CCOCCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000093401897 170386441 /nfs/dbraw/zinc/38/64/41/170386441.db2.gz NOKGYCSYRQBTKC-UHFFFAOYSA-N 1 2 237.303 1.890 20 0 BDADLO CCOCC[N@H+](C)Cc1csc(C)n1 ZINC000065301556 170389888 /nfs/dbraw/zinc/38/98/88/170389888.db2.gz SDTOHALDCQGZFZ-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO CCOCC[N@@H+](C)Cc1csc(C)n1 ZINC000065301556 170389889 /nfs/dbraw/zinc/38/98/89/170389889.db2.gz SDTOHALDCQGZFZ-UHFFFAOYSA-N 1 2 214.334 1.920 20 0 BDADLO Cc1nnc(C[N@H+](C2CC2)C2(CO)CCC2)o1 ZINC000660770394 411623756 /nfs/dbraw/zinc/62/37/56/411623756.db2.gz FDQIUSAQTNLRSL-UHFFFAOYSA-N 1 2 237.303 1.257 20 0 BDADLO Cc1nnc(C[N@@H+](C2CC2)C2(CO)CCC2)o1 ZINC000660770394 411623758 /nfs/dbraw/zinc/62/37/58/411623758.db2.gz FDQIUSAQTNLRSL-UHFFFAOYSA-N 1 2 237.303 1.257 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3cncs3)C2)n[nH]1 ZINC000660806845 411639188 /nfs/dbraw/zinc/63/91/88/411639188.db2.gz YGCTYGRAJVYOKZ-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3cncs3)C2)n[nH]1 ZINC000660806845 411639192 /nfs/dbraw/zinc/63/91/92/411639192.db2.gz YGCTYGRAJVYOKZ-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO CO[C@@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392267 411578458 /nfs/dbraw/zinc/57/84/58/411578458.db2.gz YPBGSCQBIVSVJW-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CCC1 ZINC000660392267 411578460 /nfs/dbraw/zinc/57/84/60/411578460.db2.gz YPBGSCQBIVSVJW-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@@H+]1CC1CC=CC1 ZINC000660418327 411582051 /nfs/dbraw/zinc/58/20/51/411582051.db2.gz OHAKUQAJZXSWQP-LLVKDONJSA-N 1 2 243.372 1.462 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@H+]1CC1CC=CC1 ZINC000660418327 411582052 /nfs/dbraw/zinc/58/20/52/411582052.db2.gz OHAKUQAJZXSWQP-LLVKDONJSA-N 1 2 243.372 1.462 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000660441515 411585326 /nfs/dbraw/zinc/58/53/26/411585326.db2.gz FQWDDWAOBJNJGI-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000660441515 411585328 /nfs/dbraw/zinc/58/53/28/411585328.db2.gz FQWDDWAOBJNJGI-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@H](C(C)(C)C)C2)c1 ZINC000660441515 411585330 /nfs/dbraw/zinc/58/53/30/411585330.db2.gz FQWDDWAOBJNJGI-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2Cc3cccnc3C2)C1=O ZINC000660462782 411588890 /nfs/dbraw/zinc/58/88/90/411588890.db2.gz UOHKHXHOFQKVRN-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO CCN1CC[C@@H]([N@H+]2Cc3cccnc3C2)C1=O ZINC000660462782 411588892 /nfs/dbraw/zinc/58/88/92/411588892.db2.gz UOHKHXHOFQKVRN-GFCCVEGCSA-N 1 2 231.299 1.018 20 0 BDADLO COC[C@@H](C[N@@H+]1CCCC[C@H]1C(F)F)OC ZINC000660486281 411593123 /nfs/dbraw/zinc/59/31/23/411593123.db2.gz QCFOMPWHNQIQGS-ZJUUUORDSA-N 1 2 237.290 1.767 20 0 BDADLO COC[C@@H](C[N@H+]1CCCC[C@H]1C(F)F)OC ZINC000660486281 411593124 /nfs/dbraw/zinc/59/31/24/411593124.db2.gz QCFOMPWHNQIQGS-ZJUUUORDSA-N 1 2 237.290 1.767 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)sn1 ZINC000660490255 411593624 /nfs/dbraw/zinc/59/36/24/411593624.db2.gz ZFAPGYFGWCHYQU-JTQLQIEISA-N 1 2 246.307 1.058 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@](F)(CO)C2)sn1 ZINC000660490255 411593626 /nfs/dbraw/zinc/59/36/26/411593626.db2.gz ZFAPGYFGWCHYQU-JTQLQIEISA-N 1 2 246.307 1.058 20 0 BDADLO Cn1cnc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000660489840 411593729 /nfs/dbraw/zinc/59/37/29/411593729.db2.gz RHYHDWFIAGGLLK-VIFPVBQESA-N 1 2 231.246 1.234 20 0 BDADLO Cn1cnc(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000660489840 411593731 /nfs/dbraw/zinc/59/37/31/411593731.db2.gz RHYHDWFIAGGLLK-VIFPVBQESA-N 1 2 231.246 1.234 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@H]2CC(F)F)c1 ZINC000660547529 411597736 /nfs/dbraw/zinc/59/77/36/411597736.db2.gz YUTPRSZGCKENMY-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO COc1ncncc1C[NH2+][C@H](C)c1nccn1C ZINC000657793891 411599207 /nfs/dbraw/zinc/59/92/07/411599207.db2.gz QZXYKPGORGQKLG-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1ncncc1CN[C@H](C)c1[nH+]ccn1C ZINC000657793891 411599209 /nfs/dbraw/zinc/59/92/09/411599209.db2.gz QZXYKPGORGQKLG-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO Cc1cn(C)nc1NCc1[nH+]ccn1C ZINC000657813134 411604395 /nfs/dbraw/zinc/60/43/95/411604395.db2.gz YZFBLUFDVJVSSQ-UHFFFAOYSA-N 1 2 205.265 1.074 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000657818492 411606018 /nfs/dbraw/zinc/60/60/18/411606018.db2.gz QUDQHVNJIUDJDJ-GXFFZTMASA-N 1 2 246.314 1.027 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)[nH]1 ZINC000660640970 411610931 /nfs/dbraw/zinc/61/09/31/411610931.db2.gz UCFZKIOQPUVVEY-YIZRAAEISA-N 1 2 208.309 1.768 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@H](C)[C@H]2C)[nH]1 ZINC000660640970 411610932 /nfs/dbraw/zinc/61/09/32/411610932.db2.gz UCFZKIOQPUVVEY-YIZRAAEISA-N 1 2 208.309 1.768 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)sn1 ZINC000660690458 411617993 /nfs/dbraw/zinc/61/79/93/411617993.db2.gz CDIPTXPKRSOIAZ-SSDOTTSWSA-N 1 2 216.281 1.696 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](F)C2)sn1 ZINC000660690458 411617994 /nfs/dbraw/zinc/61/79/94/411617994.db2.gz CDIPTXPKRSOIAZ-SSDOTTSWSA-N 1 2 216.281 1.696 20 0 BDADLO c1snnc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000660749613 411620800 /nfs/dbraw/zinc/62/08/00/411620800.db2.gz LPSHBRQIQPJUTM-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO c1snnc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000660749613 411620801 /nfs/dbraw/zinc/62/08/01/411620801.db2.gz LPSHBRQIQPJUTM-NSHDSACASA-N 1 2 239.344 1.541 20 0 BDADLO C[C@H]1C[N@H+](CCO)CCN1CCCC1CCC1 ZINC000660759418 411621510 /nfs/dbraw/zinc/62/15/10/411621510.db2.gz GXVXQFAFGGYVNA-ZDUSSCGKSA-N 1 2 240.391 1.565 20 0 BDADLO C[C@H]1C[N@@H+](CCO)CCN1CCCC1CCC1 ZINC000660759418 411621512 /nfs/dbraw/zinc/62/15/12/411621512.db2.gz GXVXQFAFGGYVNA-ZDUSSCGKSA-N 1 2 240.391 1.565 20 0 BDADLO CC(=O)c1ccnc(N(C)Cc2[nH]cc[nH+]2)c1 ZINC000663616611 411709950 /nfs/dbraw/zinc/70/99/50/411709950.db2.gz BGZXUCPRJPHMPG-UHFFFAOYSA-N 1 2 230.271 1.644 20 0 BDADLO CCOCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000489542519 411711422 /nfs/dbraw/zinc/71/14/22/411711422.db2.gz AVIABCYSFVTELB-UHFFFAOYSA-N 1 2 239.323 1.085 20 0 BDADLO CCOCCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489542519 411711429 /nfs/dbraw/zinc/71/14/29/411711429.db2.gz AVIABCYSFVTELB-UHFFFAOYSA-N 1 2 239.323 1.085 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000660830912 411648706 /nfs/dbraw/zinc/64/87/06/411648706.db2.gz BXUYHMVIRCDJCU-LBPRGKRZSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000660830912 411648708 /nfs/dbraw/zinc/64/87/08/411648708.db2.gz BXUYHMVIRCDJCU-LBPRGKRZSA-N 1 2 234.347 1.859 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1 ZINC000663405395 411650219 /nfs/dbraw/zinc/65/02/19/411650219.db2.gz XERLSUVXPDOZHK-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1 ZINC000663405395 411650222 /nfs/dbraw/zinc/65/02/22/411650222.db2.gz XERLSUVXPDOZHK-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO COC1([C@@H](C)[NH2+]Cc2ccn[nH]2)CCOCC1 ZINC000660836618 411650472 /nfs/dbraw/zinc/65/04/72/411650472.db2.gz CNWIRUZKQFECKN-SNVBAGLBSA-N 1 2 239.319 1.083 20 0 BDADLO CC[C@H]1C[NH+](Cc2cn(C)cn2)C[C@H](CC)O1 ZINC000660833575 411650974 /nfs/dbraw/zinc/65/09/74/411650974.db2.gz OWVPYQAYDOEVIJ-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841681 411654894 /nfs/dbraw/zinc/65/48/94/411654894.db2.gz HVNGRTZZHDDQFW-UHFFFAOYSA-N 1 2 240.288 1.172 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841681 411654896 /nfs/dbraw/zinc/65/48/96/411654896.db2.gz HVNGRTZZHDDQFW-UHFFFAOYSA-N 1 2 240.288 1.172 20 0 BDADLO Nc1cc(CN2CCC[C@H]2C(F)F)cc[nH+]1 ZINC000663464708 411665628 /nfs/dbraw/zinc/66/56/28/411665628.db2.gz UNXBGEYUUHTTPE-VIFPVBQESA-N 1 2 227.258 1.893 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)CC2(CCC2)O1 ZINC000660904607 411667127 /nfs/dbraw/zinc/66/71/27/411667127.db2.gz OBIRERUTQCJBKO-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)CC2(CCC2)O1 ZINC000660904607 411667133 /nfs/dbraw/zinc/66/71/33/411667133.db2.gz OBIRERUTQCJBKO-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)cn2)CC2(CCCC2)O1 ZINC000660906309 411667456 /nfs/dbraw/zinc/66/74/56/411667456.db2.gz FXHTVXDQFDIMJI-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)cn2)CC2(CCCC2)O1 ZINC000660906309 411667461 /nfs/dbraw/zinc/66/74/61/411667461.db2.gz FXHTVXDQFDIMJI-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO CO[C@@H](C[N@@H+]1CCCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660913368 411671729 /nfs/dbraw/zinc/67/17/29/411671729.db2.gz SCYQJIUECFVYNQ-MNOVXSKESA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@@H](C[N@H+]1CCCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660913368 411671731 /nfs/dbraw/zinc/67/17/31/411671731.db2.gz SCYQJIUECFVYNQ-MNOVXSKESA-N 1 2 249.301 1.769 20 0 BDADLO O[C@H]1C[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000624666942 411697220 /nfs/dbraw/zinc/69/72/20/411697220.db2.gz XLUCPVYKZRZVOZ-CZMCAQCFSA-N 1 2 219.288 1.537 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC[S@@](C)=O ZINC000518796044 411736512 /nfs/dbraw/zinc/73/65/12/411736512.db2.gz OOGWRTKMTIAPEZ-HNNXBMFYSA-N 1 2 227.333 1.274 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCCC3)cc2[nH+]1 ZINC000071551977 411746372 /nfs/dbraw/zinc/74/63/72/411746372.db2.gz YDGKJDRXBDORAW-UHFFFAOYSA-N 1 2 229.283 1.879 20 0 BDADLO COc1nc(C)cc(NCc2ccc[nH+]c2N)n1 ZINC000663962145 411792790 /nfs/dbraw/zinc/79/27/90/411792790.db2.gz LARFXMJIDHSDCD-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO Cc1ccc(NCC2([NH+]3CCOCC3)CC2)nn1 ZINC000663845131 411760987 /nfs/dbraw/zinc/76/09/87/411760987.db2.gz UTKBEVATOXOXEA-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO O[C@H]1CC[N@H+](C[C@H]2CCCOC2)CC1(F)F ZINC000661401193 411769440 /nfs/dbraw/zinc/76/94/40/411769440.db2.gz ANIDXMXJZIPJSV-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1CC[N@@H+](C[C@H]2CCCOC2)CC1(F)F ZINC000661401193 411769444 /nfs/dbraw/zinc/76/94/44/411769444.db2.gz ANIDXMXJZIPJSV-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO Cc1nc(N(C)C)nc(NCc2ccncc2)[nH+]1 ZINC000489522883 411769700 /nfs/dbraw/zinc/76/97/00/411769700.db2.gz ZSVNBQUXMGWSNR-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO Cc1nc(NCc2ccncc2)nc(N(C)C)[nH+]1 ZINC000489522883 411769704 /nfs/dbraw/zinc/76/97/04/411769704.db2.gz ZSVNBQUXMGWSNR-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO O[C@@H]1CC[N@@H+](C2CCCC2)CC1(F)F ZINC000661408010 411770375 /nfs/dbraw/zinc/77/03/75/411770375.db2.gz JFBUTTDCFIXFKO-SECBINFHSA-N 1 2 205.248 1.631 20 0 BDADLO O[C@@H]1CC[N@H+](C2CCCC2)CC1(F)F ZINC000661408010 411770377 /nfs/dbraw/zinc/77/03/77/411770377.db2.gz JFBUTTDCFIXFKO-SECBINFHSA-N 1 2 205.248 1.631 20 0 BDADLO C[C@H]1CCC[N@H+](CC(F)F)[C@H]1CCO ZINC000661493534 411783458 /nfs/dbraw/zinc/78/34/58/411783458.db2.gz OKMOZCXHBNCMJJ-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CCC[N@@H+](CC(F)F)[C@H]1CCO ZINC000661493534 411783461 /nfs/dbraw/zinc/78/34/61/411783461.db2.gz OKMOZCXHBNCMJJ-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccno1 ZINC000661471216 411785021 /nfs/dbraw/zinc/78/50/21/411785021.db2.gz ZADZQHVAIIWOKN-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccno1 ZINC000661471216 411785024 /nfs/dbraw/zinc/78/50/24/411785024.db2.gz ZADZQHVAIIWOKN-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO Cc1nc(N2CC[C@@H]2C(F)F)nc(N(C)C)[nH+]1 ZINC000663946368 411785775 /nfs/dbraw/zinc/78/57/75/411785775.db2.gz SVZHJAVIRNEFPI-SSDOTTSWSA-N 1 2 243.261 1.090 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H]2C(F)F)[nH+]1 ZINC000663946368 411785779 /nfs/dbraw/zinc/78/57/79/411785779.db2.gz SVZHJAVIRNEFPI-SSDOTTSWSA-N 1 2 243.261 1.090 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2csnn2)[C@@H]1CCO ZINC000661489687 411787248 /nfs/dbraw/zinc/78/72/48/411787248.db2.gz BOYCRMUEWCXTFF-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2csnn2)[C@@H]1CCO ZINC000661489687 411787253 /nfs/dbraw/zinc/78/72/53/411787253.db2.gz BOYCRMUEWCXTFF-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO CCc1cc(C)nc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664128593 411864174 /nfs/dbraw/zinc/86/41/74/411864174.db2.gz ZKJMJPGTMCBTSO-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO CCc1cc(C)nc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664128593 411864177 /nfs/dbraw/zinc/86/41/77/411864177.db2.gz ZKJMJPGTMCBTSO-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO C[C@@H]1C[NH+](C[C@H](O)C(F)(F)F)C[C@@H](C)C1=O ZINC000661544982 411799330 /nfs/dbraw/zinc/79/93/30/411799330.db2.gz MTWNJQHQZGCXAV-PRJMDXOYSA-N 1 2 239.237 1.067 20 0 BDADLO Cc1n[nH]c(C)c1CCNc1cc[nH+]c(C)n1 ZINC000663984699 411802379 /nfs/dbraw/zinc/80/23/79/411802379.db2.gz VOSJWGLWVGOBHA-UHFFFAOYSA-N 1 2 231.303 1.780 20 0 BDADLO CCNc1nccnc1NCCc1cn(C)c[nH+]1 ZINC000663999380 411808138 /nfs/dbraw/zinc/80/81/38/411808138.db2.gz RFCIRDRRHLSOMH-UHFFFAOYSA-N 1 2 246.318 1.297 20 0 BDADLO CCCc1ccc(NCCc2cn(C)c[nH+]2)nn1 ZINC000663999649 411808406 /nfs/dbraw/zinc/80/84/06/411808406.db2.gz UFXUKFCSCHMNMO-UHFFFAOYSA-N 1 2 245.330 1.817 20 0 BDADLO Cc1cc(N[C@@H](CO)c2cccnc2)nc[nH+]1 ZINC000664023704 411817523 /nfs/dbraw/zinc/81/75/23/411817523.db2.gz AHBKIFRQLQSJCL-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO Nc1[nH+]cccc1Cn1nc(C2CC2)ccc1=O ZINC000664030048 411820906 /nfs/dbraw/zinc/82/09/06/411820906.db2.gz WFOADFDDGQGIGK-UHFFFAOYSA-N 1 2 242.282 1.146 20 0 BDADLO Cc1nc([C@H](C)[NH+]2C[C@H](C)C(O)[C@@H](C)C2)no1 ZINC000661629309 411823712 /nfs/dbraw/zinc/82/37/12/411823712.db2.gz WFAIPVDRXRQBPC-CIUDSAMLSA-N 1 2 239.319 1.388 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)no1 ZINC000661630842 411826819 /nfs/dbraw/zinc/82/68/19/411826819.db2.gz CFKRAYLVKFSNTA-LBPRGKRZSA-N 1 2 237.303 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)no1 ZINC000661630842 411826824 /nfs/dbraw/zinc/82/68/24/411826824.db2.gz CFKRAYLVKFSNTA-LBPRGKRZSA-N 1 2 237.303 1.115 20 0 BDADLO Cn1c[nH+]cc1CCn1cc(Cl)ccc1=O ZINC000664054364 411832201 /nfs/dbraw/zinc/83/22/01/411832201.db2.gz BIHMNFQJZJLXGC-UHFFFAOYSA-N 1 2 237.690 1.478 20 0 BDADLO OCCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661729856 411861143 /nfs/dbraw/zinc/86/11/43/411861143.db2.gz FXMPOJLKWDFHLN-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO OCCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661729856 411861145 /nfs/dbraw/zinc/86/11/45/411861145.db2.gz FXMPOJLKWDFHLN-CYBMUJFWSA-N 1 2 239.290 1.581 20 0 BDADLO COc1ccc2c(c1)CCN(Cc1[nH]cc[nH+]1)C2 ZINC000661740653 411863410 /nfs/dbraw/zinc/86/34/10/411863410.db2.gz PMOPJYZPKUTPII-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COCCC1CN(c2cc[nH+]c(C)n2)C1 ZINC000664192426 411885197 /nfs/dbraw/zinc/88/51/97/411885197.db2.gz BXSWRLMABRAGFX-UHFFFAOYSA-N 1 2 207.277 1.258 20 0 BDADLO COCCC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664194137 411886573 /nfs/dbraw/zinc/88/65/73/411886573.db2.gz QQQRAZLSFNDVNL-UHFFFAOYSA-N 1 2 233.315 1.827 20 0 BDADLO OC/C=C\CNc1cc[nH+]c(C2CC2)n1 ZINC000664236521 411892275 /nfs/dbraw/zinc/89/22/75/411892275.db2.gz MQHODJXZZIKZKZ-UPHRSURJSA-N 1 2 205.261 1.314 20 0 BDADLO CO[C@@H]1C[C@@H](Nc2nc(C)[nH+]c(N)n2)C12CCC2 ZINC000631301032 411899417 /nfs/dbraw/zinc/89/94/17/411899417.db2.gz MZXCQSLOGUVEIX-RKDXNWHRSA-N 1 2 249.318 1.132 20 0 BDADLO CO[C@@H]1C[C@@H](Nc2nc(N)nc(C)[nH+]2)C12CCC2 ZINC000631301032 411899421 /nfs/dbraw/zinc/89/94/21/411899421.db2.gz MZXCQSLOGUVEIX-RKDXNWHRSA-N 1 2 249.318 1.132 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000272570497 170788063 /nfs/dbraw/zinc/78/80/63/170788063.db2.gz RXTPFFDHNITDJI-BDAKNGLRSA-N 1 2 209.293 1.708 20 0 BDADLO CCc1cc(N[C@H](C)C2(CO)CC2)nc[nH+]1 ZINC000664271413 411906784 /nfs/dbraw/zinc/90/67/84/411906784.db2.gz JNEBCEUJXSGPOS-SECBINFHSA-N 1 2 221.304 1.612 20 0 BDADLO Cc1cc(N2CCC[C@H](C)[C@@H]2CCO)nc[nH+]1 ZINC000664286050 411912508 /nfs/dbraw/zinc/91/25/08/411912508.db2.gz KUERQUUQGDWFAA-JQWIXIFHSA-N 1 2 235.331 1.772 20 0 BDADLO CCc1cc(N2C[C@@H](C)C(=O)[C@H](C)C2)nc[nH+]1 ZINC000664308762 411917322 /nfs/dbraw/zinc/91/73/22/411917322.db2.gz SBXFGVWHVQFQFN-NXEZZACHSA-N 1 2 233.315 1.700 20 0 BDADLO Cc1nc(N2C[C@@H](C)C(=O)[C@H](C)C2)cc[nH+]1 ZINC000664307779 411917480 /nfs/dbraw/zinc/91/74/80/411917480.db2.gz JHCQMNZIIJQART-RKDXNWHRSA-N 1 2 219.288 1.446 20 0 BDADLO CCn1cc(CNc2nc[nH+]c(C)c2OC)nn1 ZINC000664318695 411920161 /nfs/dbraw/zinc/92/01/61/411920161.db2.gz VQBUZUUZHFXKMG-UHFFFAOYSA-N 1 2 248.290 1.017 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661972608 411929502 /nfs/dbraw/zinc/92/95/02/411929502.db2.gz LRNNYPXWOBEWDX-UWVGGRQHSA-N 1 2 221.304 1.864 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)no1 ZINC000661972608 411929506 /nfs/dbraw/zinc/92/95/06/411929506.db2.gz LRNNYPXWOBEWDX-UWVGGRQHSA-N 1 2 221.304 1.864 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661974189 411930662 /nfs/dbraw/zinc/93/06/62/411930662.db2.gz OTNLKXPHEGDPJX-IUCAKERBSA-N 1 2 239.344 1.779 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661974189 411930665 /nfs/dbraw/zinc/93/06/65/411930665.db2.gz OTNLKXPHEGDPJX-IUCAKERBSA-N 1 2 239.344 1.779 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661975679 411930676 /nfs/dbraw/zinc/93/06/76/411930676.db2.gz YODXTIPMCSNUAL-RKDXNWHRSA-N 1 2 223.345 1.942 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661975679 411930677 /nfs/dbraw/zinc/93/06/77/411930677.db2.gz YODXTIPMCSNUAL-RKDXNWHRSA-N 1 2 223.345 1.942 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661975678 411931256 /nfs/dbraw/zinc/93/12/56/411931256.db2.gz YODXTIPMCSNUAL-IUCAKERBSA-N 1 2 223.345 1.942 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661975678 411931258 /nfs/dbraw/zinc/93/12/58/411931258.db2.gz YODXTIPMCSNUAL-IUCAKERBSA-N 1 2 223.345 1.942 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cnc[nH]1 ZINC000661981718 411935519 /nfs/dbraw/zinc/93/55/19/411935519.db2.gz SXCRLMCHDIUBGS-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cnc[nH]1 ZINC000661981718 411935523 /nfs/dbraw/zinc/93/55/23/411935523.db2.gz SXCRLMCHDIUBGS-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1c[nH]cn1 ZINC000661981718 411935528 /nfs/dbraw/zinc/93/55/28/411935528.db2.gz SXCRLMCHDIUBGS-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1c[nH]cn1 ZINC000661981718 411935529 /nfs/dbraw/zinc/93/55/29/411935529.db2.gz SXCRLMCHDIUBGS-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](CO)C2CCC2)[nH+]1 ZINC000664171067 411878081 /nfs/dbraw/zinc/87/80/81/411878081.db2.gz LTUYYCAULLOSDO-NSHDSACASA-N 1 2 246.314 1.839 20 0 BDADLO C[C@H](NC(=O)N[C@H]1CC=CCC1)c1[nH+]ccn1C ZINC000664173717 411879767 /nfs/dbraw/zinc/87/97/67/411879767.db2.gz OOBOSQPBPVEMQF-QWRGUYRKSA-N 1 2 248.330 1.889 20 0 BDADLO C[C@H]1C[C@@H](Nc2cccc[nH+]2)c2ncnn21 ZINC000664181870 411882582 /nfs/dbraw/zinc/88/25/82/411882582.db2.gz HHBQKWLKYAXBKV-DTWKUNHWSA-N 1 2 215.260 1.791 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661772069 411883850 /nfs/dbraw/zinc/88/38/50/411883850.db2.gz VFNAJZXTEDHADH-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)no1 ZINC000661772069 411883853 /nfs/dbraw/zinc/88/38/53/411883853.db2.gz VFNAJZXTEDHADH-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO Cc1nc(N2CCC(=O)N(C)CC2)c(C)c(C)[nH+]1 ZINC000664463264 411965020 /nfs/dbraw/zinc/96/50/20/411965020.db2.gz SOJNTGIRTFJEAO-UHFFFAOYSA-N 1 2 248.330 1.070 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@@H](O)C12CCC2 ZINC000664469151 411967129 /nfs/dbraw/zinc/96/71/29/411967129.db2.gz LYGVBWRUGUYLCV-NXEZZACHSA-N 1 2 249.314 1.509 20 0 BDADLO CC[C@@H]1CCN1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662090443 411985989 /nfs/dbraw/zinc/98/59/89/411985989.db2.gz DRZNMKNSRFJYKS-NXEZZACHSA-N 1 2 236.319 1.675 20 0 BDADLO Cc1nc(N2CC[C@@H]3COC[C@H]3C2)c(C)c(C)[nH+]1 ZINC000664555632 411986217 /nfs/dbraw/zinc/98/62/17/411986217.db2.gz GYOJVVZQSSRQEV-CHWSQXEVSA-N 1 2 247.342 1.875 20 0 BDADLO CC(C)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000662117664 411989921 /nfs/dbraw/zinc/98/99/21/411989921.db2.gz YCLFNBRUGKFDBF-VIFPVBQESA-N 1 2 234.290 1.488 20 0 BDADLO CC(C)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000662117664 411989923 /nfs/dbraw/zinc/98/99/23/411989923.db2.gz YCLFNBRUGKFDBF-VIFPVBQESA-N 1 2 234.290 1.488 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCc2nccnc2C1 ZINC000662123656 411994121 /nfs/dbraw/zinc/99/41/21/411994121.db2.gz AKIMLZJBRQJWHL-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCc2nccnc2C1 ZINC000662123656 411994124 /nfs/dbraw/zinc/99/41/24/411994124.db2.gz AKIMLZJBRQJWHL-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO Cc1cnc(N[C@H](C)c2[nH+]ccn2C)nc1 ZINC000664609287 411998846 /nfs/dbraw/zinc/99/88/46/411998846.db2.gz XWJUMDRMZFXQMX-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662144707 412005967 /nfs/dbraw/zinc/00/59/67/412005967.db2.gz UBWUOLNKNZCLQD-FXPVBKGRSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662144707 412005970 /nfs/dbraw/zinc/00/59/70/412005970.db2.gz UBWUOLNKNZCLQD-FXPVBKGRSA-N 1 2 241.360 1.549 20 0 BDADLO CCc1cc(NCc2ccnn2CC)nc[nH+]1 ZINC000664681054 412008946 /nfs/dbraw/zinc/00/89/46/412008946.db2.gz XBIMTRPVSJAZFB-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO Cc1nc(N2C[C@H]3COC[C@]3(C)C2)cc[nH+]1 ZINC000664415991 411947805 /nfs/dbraw/zinc/94/78/05/411947805.db2.gz BHHBUUODIBRXOF-JQWIXIFHSA-N 1 2 219.288 1.258 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3COC[C@H]3C2)n[nH]1 ZINC000662031399 411947769 /nfs/dbraw/zinc/94/77/69/411947769.db2.gz RSBQDGJJJQYEEB-JMJZKYOTSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3COC[C@H]3C2)n[nH]1 ZINC000662031399 411947774 /nfs/dbraw/zinc/94/77/74/411947774.db2.gz RSBQDGJJJQYEEB-JMJZKYOTSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@]3(O)C[C@H]3C2)[nH+]1 ZINC000664424489 411951630 /nfs/dbraw/zinc/95/16/30/411951630.db2.gz RVINQLKQLMWSJJ-TVQRCGJNSA-N 1 2 244.298 1.227 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662041909 411961161 /nfs/dbraw/zinc/96/11/61/411961161.db2.gz DSWFMFZPRDKWJJ-LBPRGKRZSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662041909 411961166 /nfs/dbraw/zinc/96/11/66/411961166.db2.gz DSWFMFZPRDKWJJ-LBPRGKRZSA-N 1 2 234.347 1.859 20 0 BDADLO Cc1cc(NCC(O)(C2CC2)C2CC2)nc[nH+]1 ZINC000664459755 411962593 /nfs/dbraw/zinc/96/25/93/411962593.db2.gz BTWMCZYFFYGDPP-UHFFFAOYSA-N 1 2 233.315 1.748 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823883 412027335 /nfs/dbraw/zinc/02/73/35/412027335.db2.gz QQWOIBTZMBBTHO-GXSJLCMTSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823883 412027338 /nfs/dbraw/zinc/02/73/38/412027338.db2.gz QQWOIBTZMBBTHO-GXSJLCMTSA-N 1 2 233.315 1.338 20 0 BDADLO FC(F)(F)C[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000662232672 412031661 /nfs/dbraw/zinc/03/16/61/412031661.db2.gz ZDANKABKZUPZKU-MRVPVSSYSA-N 1 2 249.236 1.563 20 0 BDADLO COCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228731 412031921 /nfs/dbraw/zinc/03/19/21/412031921.db2.gz JSVDSNBLNKEZNU-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO COCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228731 412031925 /nfs/dbraw/zinc/03/19/25/412031925.db2.gz JSVDSNBLNKEZNU-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229869 412032066 /nfs/dbraw/zinc/03/20/66/412032066.db2.gz YSWKSGMQRPNUKW-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@H](C)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229869 412032069 /nfs/dbraw/zinc/03/20/69/412032069.db2.gz YSWKSGMQRPNUKW-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2=CCSC2)o1 ZINC000662262910 412052946 /nfs/dbraw/zinc/05/29/46/412052946.db2.gz FOLNLTXESMYMEQ-UHFFFAOYSA-N 1 2 225.317 1.483 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2=CCSC2)o1 ZINC000662262910 412052948 /nfs/dbraw/zinc/05/29/48/412052948.db2.gz FOLNLTXESMYMEQ-UHFFFAOYSA-N 1 2 225.317 1.483 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC2=CCSC2)[nH]1 ZINC000662265587 412057886 /nfs/dbraw/zinc/05/78/86/412057886.db2.gz DGXJZIKQJQTHQH-MRVPVSSYSA-N 1 2 238.360 1.779 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC2=CCSC2)[nH]1 ZINC000662265587 412057889 /nfs/dbraw/zinc/05/78/89/412057889.db2.gz DGXJZIKQJQTHQH-MRVPVSSYSA-N 1 2 238.360 1.779 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000279832426 171003249 /nfs/dbraw/zinc/00/32/49/171003249.db2.gz JCATVPZAXOQLMP-LLVKDONJSA-N 1 2 235.331 1.611 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000376957743 171006911 /nfs/dbraw/zinc/00/69/11/171006911.db2.gz LSICWEGVVWOPJZ-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO CC[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000294069978 171016074 /nfs/dbraw/zinc/01/60/74/171016074.db2.gz QHPUORIDRBFYSY-SNVBAGLBSA-N 1 2 207.277 1.284 20 0 BDADLO CC[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000294108073 171018189 /nfs/dbraw/zinc/01/81/89/171018189.db2.gz SCMIMPPWVWYDKX-SECBINFHSA-N 1 2 207.277 1.272 20 0 BDADLO CC[C@@H]1CN(C(=O)Nc2cc[nH+]cc2C)C[C@H]1O ZINC000271116276 171066861 /nfs/dbraw/zinc/06/68/61/171066861.db2.gz HPKNPWOFDXPWQF-ZYHUDNBSSA-N 1 2 249.314 1.625 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(OC)cn2)CCO1 ZINC000271918810 171088070 /nfs/dbraw/zinc/08/80/70/171088070.db2.gz JXFYNOMMQKWWBQ-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)cn2)CCO1 ZINC000271918810 171088073 /nfs/dbraw/zinc/08/80/73/171088073.db2.gz JXFYNOMMQKWWBQ-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccc(N)n2)CCCO1 ZINC000281499385 171090284 /nfs/dbraw/zinc/09/02/84/171090284.db2.gz UGECLOKPHULGMW-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccc(N)n2)CCCO1 ZINC000281499385 171090286 /nfs/dbraw/zinc/09/02/86/171090286.db2.gz UGECLOKPHULGMW-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000125503095 171090373 /nfs/dbraw/zinc/09/03/73/171090373.db2.gz SDIGNUFCFFCSNJ-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000125503095 171090375 /nfs/dbraw/zinc/09/03/75/171090375.db2.gz SDIGNUFCFFCSNJ-GFCCVEGCSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CC)c2)C[C@H](C)O1 ZINC000092486936 171090722 /nfs/dbraw/zinc/09/07/22/171090722.db2.gz VMUWBZJLRAUBCI-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)C[C@H](C)O1 ZINC000092486936 171090724 /nfs/dbraw/zinc/09/07/24/171090724.db2.gz VMUWBZJLRAUBCI-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CCO[C@@H](CC)c1noc(C[NH+](C)C)n1 ZINC000665037702 412063448 /nfs/dbraw/zinc/06/34/48/412063448.db2.gz CCTIEFRVFLKGHQ-QMMMGPOBSA-N 1 2 213.281 1.619 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2noc(C)n2)CCCO1 ZINC000329790958 171095687 /nfs/dbraw/zinc/09/56/87/171095687.db2.gz UGUKEMQNNLASSI-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2noc(C)n2)CCCO1 ZINC000329790958 171095689 /nfs/dbraw/zinc/09/56/89/171095689.db2.gz UGUKEMQNNLASSI-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC000270508168 171098278 /nfs/dbraw/zinc/09/82/78/171098278.db2.gz WCTKHHXGBUSALE-ZYHUDNBSSA-N 1 2 247.342 1.870 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000115575533 171105452 /nfs/dbraw/zinc/10/54/52/171105452.db2.gz VJCULMIBNBJLQD-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000115575533 171105455 /nfs/dbraw/zinc/10/54/55/171105455.db2.gz VJCULMIBNBJLQD-NWDGAFQWSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)C(C)C ZINC000357033753 171112264 /nfs/dbraw/zinc/11/22/64/171112264.db2.gz IDVOYDPUDQPAMI-VXGBXAGGSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)C(C)C ZINC000357033753 171112266 /nfs/dbraw/zinc/11/22/66/171112266.db2.gz IDVOYDPUDQPAMI-VXGBXAGGSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@@H]1C[C@@H](C[NH+]2CC(F)C2)CCO1 ZINC000336618703 171119951 /nfs/dbraw/zinc/11/99/51/171119951.db2.gz NEQJHSQKBYSZOI-GXSJLCMTSA-N 1 2 201.285 1.845 20 0 BDADLO CC[C@@](C)([NH2+]CCOC(C)C)C(=O)OC ZINC000336771757 171176435 /nfs/dbraw/zinc/17/64/35/171176435.db2.gz WXDJEDCMLGLBCW-LLVKDONJSA-N 1 2 217.309 1.343 20 0 BDADLO CC[C@@](C)(OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000280003606 171187814 /nfs/dbraw/zinc/18/78/14/171187814.db2.gz IBJZVERGAVJIHH-GFCCVEGCSA-N 1 2 239.319 1.194 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000291694110 171204136 /nfs/dbraw/zinc/20/41/36/171204136.db2.gz YJNXGMNPEZNKGW-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000291694110 171204139 /nfs/dbraw/zinc/20/41/39/171204139.db2.gz YJNXGMNPEZNKGW-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2[nH]ncc2C)CCO1 ZINC000291694110 171204142 /nfs/dbraw/zinc/20/41/42/171204142.db2.gz YJNXGMNPEZNKGW-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2[nH]ncc2C)CCO1 ZINC000291694110 171204144 /nfs/dbraw/zinc/20/41/44/171204144.db2.gz YJNXGMNPEZNKGW-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@H](C(N)=O)[N@H+](C)Cc1nc2ccccc2o1 ZINC000269311478 171243212 /nfs/dbraw/zinc/24/32/12/171243212.db2.gz IGWJCGNXFBXPPM-SNVBAGLBSA-N 1 2 247.298 1.524 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000269311478 171243214 /nfs/dbraw/zinc/24/32/14/171243214.db2.gz IGWJCGNXFBXPPM-SNVBAGLBSA-N 1 2 247.298 1.524 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccccc1F ZINC000363313555 171244530 /nfs/dbraw/zinc/24/45/30/171244530.db2.gz HGWLSJIMFYQIKY-NEPJUHHUSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1c1ccccc1F ZINC000363313555 171244532 /nfs/dbraw/zinc/24/45/32/171244532.db2.gz HGWLSJIMFYQIKY-NEPJUHHUSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](COC)C(=O)OC ZINC000355081773 171296437 /nfs/dbraw/zinc/29/64/37/171296437.db2.gz TYKLIMPRNFVQMZ-TUAOUCFPSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177711915 171329793 /nfs/dbraw/zinc/32/97/93/171329793.db2.gz MTMLOXLOQGMWMD-JTQLQIEISA-N 1 2 246.314 1.932 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](C)OC)C(=O)OC ZINC000308967903 171374662 /nfs/dbraw/zinc/37/46/62/171374662.db2.gz XDNCOTSOEUSSLE-IVZWLZJFSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000331069996 171380630 /nfs/dbraw/zinc/38/06/30/171380630.db2.gz SJRGLWNZQWHGCA-GXSJLCMTSA-N 1 2 239.319 1.097 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000355074736 171398682 /nfs/dbraw/zinc/39/86/82/171398682.db2.gz IXFUMLSXJYZLDD-JQWIXIFHSA-N 1 2 241.331 1.510 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@](C)(C(F)F)C2)c1 ZINC000662368589 412125447 /nfs/dbraw/zinc/12/54/47/412125447.db2.gz CVTKMJPJWATZSE-NSHDSACASA-N 1 2 245.273 1.276 20 0 BDADLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1ccon1 ZINC000662380776 412134765 /nfs/dbraw/zinc/13/47/65/412134765.db2.gz QFCGTJHAAFWKEG-UHFFFAOYSA-N 1 2 221.260 1.097 20 0 BDADLO CC12CC(C1)C[N@H+]2CC(=O)Nc1ccon1 ZINC000662380776 412134769 /nfs/dbraw/zinc/13/47/69/412134769.db2.gz QFCGTJHAAFWKEG-UHFFFAOYSA-N 1 2 221.260 1.097 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccnc(C2CC2)n1 ZINC000624619741 412255828 /nfs/dbraw/zinc/25/58/28/412255828.db2.gz KPJGCOODVQTCHC-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccnc(C2CC2)n1 ZINC000624619741 412255833 /nfs/dbraw/zinc/25/58/33/412255833.db2.gz KPJGCOODVQTCHC-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO COC(=O)[C@@H](C)CNc1nc[nH+]c2c1CCCC2 ZINC000610784641 412334391 /nfs/dbraw/zinc/33/43/91/412334391.db2.gz LMEUWHXJQJOMGS-VIFPVBQESA-N 1 2 249.314 1.576 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)[nH]1 ZINC000285308581 172003195 /nfs/dbraw/zinc/00/31/95/172003195.db2.gz SLJJKINXCBOMEY-JGVFFNPUSA-N 1 2 234.307 1.502 20 0 BDADLO CCc1nc([C@@H]2COCC[NH2+]2)sc1C ZINC000076136777 172005073 /nfs/dbraw/zinc/00/50/73/172005073.db2.gz KJTFSBBONKGGEP-VIFPVBQESA-N 1 2 212.318 1.675 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)[nH]1 ZINC000278783083 172007269 /nfs/dbraw/zinc/00/72/69/172007269.db2.gz PZLJJRLXNPZGGX-IUCAKERBSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)[nH]1 ZINC000271575170 172007701 /nfs/dbraw/zinc/00/77/01/172007701.db2.gz WFUMUKKGKKYHHX-BDAKNGLRSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nc([C@H]2CCCC[N@@H+]2CCO)no1 ZINC000378012413 172007958 /nfs/dbraw/zinc/00/79/58/172007958.db2.gz ZPJPTZOTHOBVPO-SECBINFHSA-N 1 2 225.292 1.151 20 0 BDADLO CCc1nc([C@H]2CCCC[N@H+]2CCO)no1 ZINC000378012413 172007959 /nfs/dbraw/zinc/00/79/59/172007959.db2.gz ZPJPTZOTHOBVPO-SECBINFHSA-N 1 2 225.292 1.151 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1cc(C)on1 ZINC000124010744 172041709 /nfs/dbraw/zinc/04/17/09/172041709.db2.gz NNBBIXWRDSFWPT-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000361597132 172050246 /nfs/dbraw/zinc/05/02/46/172050246.db2.gz XLHQOJMDCJEXPA-JTQLQIEISA-N 1 2 247.302 1.276 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000361597132 172050249 /nfs/dbraw/zinc/05/02/49/172050249.db2.gz XLHQOJMDCJEXPA-JTQLQIEISA-N 1 2 247.302 1.276 20 0 BDADLO CCc1nnc([C@H]2C[N@H+](CCCF)CCO2)o1 ZINC000331338075 172066954 /nfs/dbraw/zinc/06/69/54/172066954.db2.gz VVANROIEXZAQFO-SECBINFHSA-N 1 2 243.282 1.365 20 0 BDADLO CCc1nnc([C@H]2C[N@@H+](CCCF)CCO2)o1 ZINC000331338075 172066957 /nfs/dbraw/zinc/06/69/57/172066957.db2.gz VVANROIEXZAQFO-SECBINFHSA-N 1 2 243.282 1.365 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCCOCC2)n1 ZINC000363436497 172089713 /nfs/dbraw/zinc/08/97/13/172089713.db2.gz LGKPHJYNQOLHDA-SECBINFHSA-N 1 2 225.292 1.415 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCCOCC2)n1 ZINC000363436497 172089716 /nfs/dbraw/zinc/08/97/16/172089716.db2.gz LGKPHJYNQOLHDA-SECBINFHSA-N 1 2 225.292 1.415 20 0 BDADLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000293292163 172095930 /nfs/dbraw/zinc/09/59/30/172095930.db2.gz DGLGCIJISAZOTE-SECBINFHSA-N 1 2 239.319 1.146 20 0 BDADLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000293292163 172095933 /nfs/dbraw/zinc/09/59/33/172095933.db2.gz DGLGCIJISAZOTE-SECBINFHSA-N 1 2 239.319 1.146 20 0 BDADLO CCc1occc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000280414437 172114233 /nfs/dbraw/zinc/11/42/33/172114233.db2.gz QACIWPPWWMGIQE-UHFFFAOYSA-N 1 2 247.298 1.848 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000050544029 172164821 /nfs/dbraw/zinc/16/48/21/172164821.db2.gz CZTKULSGRITOHL-NSHDSACASA-N 1 2 237.303 1.040 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@H]2C(=O)OC)cn1 ZINC000050544029 172164825 /nfs/dbraw/zinc/16/48/25/172164825.db2.gz CZTKULSGRITOHL-NSHDSACASA-N 1 2 237.303 1.040 20 0 BDADLO CCn1cc(C[N@@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000276835907 172165024 /nfs/dbraw/zinc/16/50/24/172165024.db2.gz RSNDFBHMSOEAKW-JTQLQIEISA-N 1 2 246.318 1.071 20 0 BDADLO CCn1cc(C[N@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000276835907 172165026 /nfs/dbraw/zinc/16/50/26/172165026.db2.gz RSNDFBHMSOEAKW-JTQLQIEISA-N 1 2 246.318 1.071 20 0 BDADLO CCn1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000126875018 172167464 /nfs/dbraw/zinc/16/74/64/172167464.db2.gz WOIVYWXGGXYJQV-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[NH2+]Cc2nc(C)cs2)cn1 ZINC000050539604 172172857 /nfs/dbraw/zinc/17/28/57/172172857.db2.gz GJISGUVURYGQQO-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1cc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000279212001 172180221 /nfs/dbraw/zinc/18/02/21/172180221.db2.gz NZAWXTADDXBKCP-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CCn1ccnc1C[N@H+](C)C[C@@H](C)OC ZINC000336713567 172218126 /nfs/dbraw/zinc/21/81/26/172218126.db2.gz VOOHMXQLOPZSFZ-SNVBAGLBSA-N 1 2 211.309 1.370 20 0 BDADLO CCn1ccnc1C[N@@H+](C)C[C@@H](C)OC ZINC000336713567 172218129 /nfs/dbraw/zinc/21/81/29/172218129.db2.gz VOOHMXQLOPZSFZ-SNVBAGLBSA-N 1 2 211.309 1.370 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cc[nH]n1 ZINC000336698328 172217925 /nfs/dbraw/zinc/21/79/25/172217925.db2.gz INPXNXBZYQPBTA-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)C1CC1 ZINC000295695039 172222221 /nfs/dbraw/zinc/22/22/21/172222221.db2.gz INIALWWCVSAFHL-VIFPVBQESA-N 1 2 221.304 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CC=CCC1 ZINC000297372389 172222476 /nfs/dbraw/zinc/22/24/76/172222476.db2.gz VCISALJOJGRJQR-NSHDSACASA-N 1 2 248.330 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CC1(C)C ZINC000296455762 172222517 /nfs/dbraw/zinc/22/25/17/172222517.db2.gz VUZHZZCAPDOIPD-VIFPVBQESA-N 1 2 236.319 1.501 20 0 BDADLO CCn1cc[nH+]c1CNc1ncc(F)cn1 ZINC000294977146 172225992 /nfs/dbraw/zinc/22/59/92/172225992.db2.gz LNZYCWWFDCPCNP-UHFFFAOYSA-N 1 2 221.239 1.444 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2occc2C)n1 ZINC000295952208 172247471 /nfs/dbraw/zinc/24/74/71/172247471.db2.gz HEQUYWMPNYYQIM-UHFFFAOYSA-N 1 2 234.303 1.798 20 0 BDADLO CCn1nccc1CC[N@H+](C)Cc1noc(C)n1 ZINC000276274816 172259657 /nfs/dbraw/zinc/25/96/57/172259657.db2.gz DPVXXJIJPAIAJD-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1nccc1CC[N@@H+](C)Cc1noc(C)n1 ZINC000276274816 172259658 /nfs/dbraw/zinc/25/96/58/172259658.db2.gz DPVXXJIJPAIAJD-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cnc(C)nc1 ZINC000352341863 172263063 /nfs/dbraw/zinc/26/30/63/172263063.db2.gz KXZDMOFQTOZUKI-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cnc(C)nc1 ZINC000352341863 172263065 /nfs/dbraw/zinc/26/30/65/172263065.db2.gz KXZDMOFQTOZUKI-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1nc(C)no1 ZINC000361602239 172272558 /nfs/dbraw/zinc/27/25/58/172272558.db2.gz IOSVZGASFPZZQE-MRVPVSSYSA-N 1 2 235.291 1.445 20 0 BDADLO CCn1ncnc1C[N@H+](C)Cc1ccccc1 ZINC000193301039 172279280 /nfs/dbraw/zinc/27/92/80/172279280.db2.gz GXGTWFZFSDZVHZ-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1ncnc1C[N@@H+](C)Cc1ccccc1 ZINC000193301039 172279281 /nfs/dbraw/zinc/27/92/81/172279281.db2.gz GXGTWFZFSDZVHZ-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1cnccc1C ZINC000359066867 172283246 /nfs/dbraw/zinc/28/32/46/172283246.db2.gz JHTGKCAMKPBNGA-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nncc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000294998981 172290909 /nfs/dbraw/zinc/29/09/09/172290909.db2.gz OUKYUGMYTKGYAP-UHFFFAOYSA-N 1 2 245.286 1.562 20 0 BDADLO CN(C(=O)C[NH+]1Cc2ccccc2C1)C1CC1 ZINC000106302861 172309462 /nfs/dbraw/zinc/30/94/62/172309462.db2.gz WFLZXMWFGSDVMJ-UHFFFAOYSA-N 1 2 230.311 1.623 20 0 BDADLO CN(C(=O)COc1cc[nH+]cc1)C1CC1 ZINC000276446352 172312996 /nfs/dbraw/zinc/31/29/96/172312996.db2.gz LHGBARWNTLZTNW-UHFFFAOYSA-N 1 2 206.245 1.081 20 0 BDADLO CN(C)C(=O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000264875056 172361482 /nfs/dbraw/zinc/36/14/82/172361482.db2.gz PPJHHWPRSZXVTQ-UHFFFAOYSA-N 1 2 234.303 1.244 20 0 BDADLO CN(C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000122762106 172378018 /nfs/dbraw/zinc/37/80/18/172378018.db2.gz HSLHGYNIQWESAF-UHFFFAOYSA-N 1 2 237.303 1.079 20 0 BDADLO CN(CCC(F)(F)F)Cc1[nH]cc[nH+]1 ZINC000352697853 172675104 /nfs/dbraw/zinc/67/51/04/172675104.db2.gz JOQPHWYGYYBHNJ-UHFFFAOYSA-N 1 2 207.199 1.794 20 0 BDADLO C[N@H+](Cc1ncnn1C(C)(C)C)[C@H]1CCOC1 ZINC000338308936 172934956 /nfs/dbraw/zinc/93/49/56/172934956.db2.gz TZAGVUFZZKGATO-JTQLQIEISA-N 1 2 238.335 1.254 20 0 BDADLO C[N@@H+](Cc1ncnn1C(C)(C)C)[C@H]1CCOC1 ZINC000338308936 172934957 /nfs/dbraw/zinc/93/49/57/172934957.db2.gz TZAGVUFZZKGATO-JTQLQIEISA-N 1 2 238.335 1.254 20 0 BDADLO C[NH+]1CCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000336594395 173072799 /nfs/dbraw/zinc/07/27/99/173072799.db2.gz GZACNDILTXGXKA-UHFFFAOYSA-N 1 2 245.326 1.347 20 0 BDADLO C[NH+]1CCN(C(=O)c2ncccc2Cl)CC1 ZINC000336122033 173072924 /nfs/dbraw/zinc/07/29/24/173072924.db2.gz TUBGNAASDNQGRP-UHFFFAOYSA-N 1 2 239.706 1.123 20 0 BDADLO C[NH+]1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000295000155 173073653 /nfs/dbraw/zinc/07/36/53/173073653.db2.gz YPLMVNRIROWCAK-UHFFFAOYSA-N 1 2 239.706 1.123 20 0 BDADLO CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000336350915 173088715 /nfs/dbraw/zinc/08/87/15/173088715.db2.gz XAUOBQFIIGBWCD-UHFFFAOYSA-N 1 2 246.314 1.417 20 0 BDADLO CN1CC[N@H+](Cc2cccs2)C(C)(C)C1=O ZINC000093642572 173089534 /nfs/dbraw/zinc/08/95/34/173089534.db2.gz BUSFWVTWUPNAFZ-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CN1CC[N@@H+](Cc2cccs2)C(C)(C)C1=O ZINC000093642572 173089536 /nfs/dbraw/zinc/08/95/36/173089536.db2.gz BUSFWVTWUPNAFZ-UHFFFAOYSA-N 1 2 238.356 1.801 20 0 BDADLO CN1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)CC1=O ZINC000177796403 173093945 /nfs/dbraw/zinc/09/39/45/173093945.db2.gz CYLNJFKUIPISTC-ZDUSSCGKSA-N 1 2 248.301 1.587 20 0 BDADLO CN1CC[N@H+]([C@H]2CCc3ccc(F)cc32)CC1=O ZINC000177796403 173093948 /nfs/dbraw/zinc/09/39/48/173093948.db2.gz CYLNJFKUIPISTC-ZDUSSCGKSA-N 1 2 248.301 1.587 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(CC3=CCCC3)no2)C1 ZINC000333883142 173102180 /nfs/dbraw/zinc/10/21/80/173102180.db2.gz VBSCMRDYVVNMKT-LLVKDONJSA-N 1 2 249.314 1.726 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(CC3=CCCC3)no2)C1 ZINC000333883142 173102181 /nfs/dbraw/zinc/10/21/81/173102181.db2.gz VBSCMRDYVVNMKT-LLVKDONJSA-N 1 2 249.314 1.726 20 0 BDADLO CN1CC[C@@H](Sc2[nH+]cc3ccccn32)C1=O ZINC000265223783 173127743 /nfs/dbraw/zinc/12/77/43/173127743.db2.gz SVQDDDLUDOVOLJ-SNVBAGLBSA-N 1 2 247.323 1.657 20 0 BDADLO C[N@@H+]1CCc2ncnc(NCCC(C)(C)C)c2C1 ZINC000356795204 173174105 /nfs/dbraw/zinc/17/41/05/173174105.db2.gz XQYLJVVVRYLCBO-UHFFFAOYSA-N 1 2 248.374 1.735 20 0 BDADLO C[N@H+]1CCc2ncnc(NCCC(C)(C)C)c2C1 ZINC000356795204 173174107 /nfs/dbraw/zinc/17/41/07/173174107.db2.gz XQYLJVVVRYLCBO-UHFFFAOYSA-N 1 2 248.374 1.735 20 0 BDADLO CNC(=O)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272922588 173262419 /nfs/dbraw/zinc/26/24/19/173262419.db2.gz UDQSIRQKZKNFIZ-UHFFFAOYSA-N 1 2 248.330 1.212 20 0 BDADLO CNC(=O)CSCc1cn2ccccc2[nH+]1 ZINC000267811679 173279771 /nfs/dbraw/zinc/27/97/71/173279771.db2.gz UCBFOFXBOYZLEW-UHFFFAOYSA-N 1 2 235.312 1.314 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000042561664 173295144 /nfs/dbraw/zinc/29/51/44/173295144.db2.gz QIVWXQABEDGHIW-NKWVEPMBSA-N 1 2 227.333 1.237 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000309401219 173304095 /nfs/dbraw/zinc/30/40/95/173304095.db2.gz AAVHKZXASSYHMW-QMMMGPOBSA-N 1 2 222.292 1.146 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1csc(C)n1 ZINC000076721974 173306971 /nfs/dbraw/zinc/30/69/71/173306971.db2.gz WIKYBVMCDYZQJW-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1csc(C)n1 ZINC000076721974 173306972 /nfs/dbraw/zinc/30/69/72/173306972.db2.gz WIKYBVMCDYZQJW-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC000049000687 173307339 /nfs/dbraw/zinc/30/73/39/173307339.db2.gz HOCJWRLSKBUCAP-SNVBAGLBSA-N 1 2 237.303 1.002 20 0 BDADLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nc(C)c(C)o1 ZINC000049000687 173307340 /nfs/dbraw/zinc/30/73/40/173307340.db2.gz HOCJWRLSKBUCAP-SNVBAGLBSA-N 1 2 237.303 1.002 20 0 BDADLO CNC(=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714653 173311678 /nfs/dbraw/zinc/31/16/78/173311678.db2.gz FUROMACRMGDBKM-UHFFFAOYSA-N 1 2 230.271 1.381 20 0 BDADLO CNC(=O)c1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000123827019 173311696 /nfs/dbraw/zinc/31/16/96/173311696.db2.gz ZZIOPUFGZFEQQR-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO CNc1ccc(Nc2nccc(C)n2)c[nH+]1 ZINC000301257623 173479800 /nfs/dbraw/zinc/47/98/00/173479800.db2.gz DUJDGUIUNWMCNA-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO COC(=O)[C@@H](C)CSCCCn1cc[nH+]c1 ZINC000085161919 173676205 /nfs/dbraw/zinc/67/62/05/173676205.db2.gz AKRZDLLFFMSAOE-JTQLQIEISA-N 1 2 242.344 1.816 20 0 BDADLO COC(=O)[C@@H](CC(F)F)[NH2+]CC1CC1 ZINC000336665409 173697870 /nfs/dbraw/zinc/69/78/70/173697870.db2.gz VDEIANJVNIHHEC-SSDOTTSWSA-N 1 2 207.220 1.183 20 0 BDADLO COC(=O)[C@H](CC(F)(F)F)[NH2+]C[C@@H]1C[C@@H]1C ZINC000309957332 173794874 /nfs/dbraw/zinc/79/48/74/173794874.db2.gz JAKARTZWHFRCPQ-FXQIFTODSA-N 1 2 239.237 1.726 20 0 BDADLO COC(=O)[C@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC000268358444 173836864 /nfs/dbraw/zinc/83/68/64/173836864.db2.gz WEQXQJSJJPPAHG-GFCCVEGCSA-N 1 2 235.287 1.174 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2nccn2C)o1 ZINC000071273390 173878164 /nfs/dbraw/zinc/87/81/64/173878164.db2.gz NXJJNFPEMWVGTQ-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO COC(=O)c1ccc(CNCc2[nH+]ccn2C)o1 ZINC000071273390 173878166 /nfs/dbraw/zinc/87/81/66/173878166.db2.gz NXJJNFPEMWVGTQ-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO COC(=O)c1cnoc1C[N@H+](C)C1CC1 ZINC000285933433 173908696 /nfs/dbraw/zinc/90/86/96/173908696.db2.gz IWFWFORXDSEQGF-UHFFFAOYSA-N 1 2 210.233 1.055 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+](C)C1CC1 ZINC000285933433 173908698 /nfs/dbraw/zinc/90/86/98/173908698.db2.gz IWFWFORXDSEQGF-UHFFFAOYSA-N 1 2 210.233 1.055 20 0 BDADLO COCC(C)(C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000293580724 174078579 /nfs/dbraw/zinc/07/85/79/174078579.db2.gz ARPIHONPUKNZDX-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO COCC1(O)CC[NH+](Cc2nccs2)CC1 ZINC000270339211 174110616 /nfs/dbraw/zinc/11/06/16/174110616.db2.gz DPDATDFSIHIZTI-UHFFFAOYSA-N 1 2 242.344 1.116 20 0 BDADLO COCC1=CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283104009 174115493 /nfs/dbraw/zinc/11/54/93/174115493.db2.gz MEGRIZXZNVLQSE-NSCUHMNNSA-N 1 2 247.298 1.228 20 0 BDADLO COCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000171265893 174130347 /nfs/dbraw/zinc/13/03/47/174130347.db2.gz XNALPHDKZYJWHV-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO COCCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000273610900 174140727 /nfs/dbraw/zinc/14/07/27/174140727.db2.gz NSXLRJKXEROJHP-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO COCCC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000120478176 174150606 /nfs/dbraw/zinc/15/06/06/174150606.db2.gz CJDQKVXQFFLYSW-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO COCCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366693068 174176912 /nfs/dbraw/zinc/17/69/12/174176912.db2.gz UFRONIRBPLBCIJ-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO COCCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366693068 174176913 /nfs/dbraw/zinc/17/69/13/174176913.db2.gz UFRONIRBPLBCIJ-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO COCCC[N@H+](CCOC)Cc1csnn1 ZINC000126212729 174226362 /nfs/dbraw/zinc/22/63/62/174226362.db2.gz PIYPIXNQJFVWGM-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO COCCC[N@@H+](CCOC)Cc1csnn1 ZINC000126212729 174226366 /nfs/dbraw/zinc/22/63/66/174226366.db2.gz PIYPIXNQJFVWGM-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO COCCCONC(=O)Nc1cc[nH+]c(C)c1 ZINC000287078045 174254955 /nfs/dbraw/zinc/25/49/55/174254955.db2.gz LSDSVEICRCZWCA-UHFFFAOYSA-N 1 2 239.275 1.480 20 0 BDADLO COCC[N@H+](CCO)C/C(Cl)=C/Cl ZINC000131728346 174293819 /nfs/dbraw/zinc/29/38/19/174293819.db2.gz YCTDZDTVLBRVEU-VURMDHGXSA-N 1 2 228.119 1.246 20 0 BDADLO COCC[N@@H+](CCO)C/C(Cl)=C/Cl ZINC000131728346 174293821 /nfs/dbraw/zinc/29/38/21/174293821.db2.gz YCTDZDTVLBRVEU-VURMDHGXSA-N 1 2 228.119 1.246 20 0 BDADLO COCC[N@H+](CCO)Cc1nc(C)c(C)s1 ZINC000130203955 174295366 /nfs/dbraw/zinc/29/53/66/174295366.db2.gz UWTVLAMLMGURBP-UHFFFAOYSA-N 1 2 244.360 1.201 20 0 BDADLO COCC[N@@H+](CCO)Cc1nc(C)c(C)s1 ZINC000130203955 174295367 /nfs/dbraw/zinc/29/53/67/174295367.db2.gz UWTVLAMLMGURBP-UHFFFAOYSA-N 1 2 244.360 1.201 20 0 BDADLO COCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000035121202 174340685 /nfs/dbraw/zinc/34/06/85/174340685.db2.gz LYWFJCXZIDHJKJ-UHFFFAOYSA-N 1 2 209.293 1.967 20 0 BDADLO COCCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000110280687 174359639 /nfs/dbraw/zinc/35/96/39/174359639.db2.gz HDIJYGDMMMQWRN-UHFFFAOYSA-N 1 2 237.303 1.429 20 0 BDADLO COCCOc1ccc(NCc2[nH]cc[nH+]2)cn1 ZINC000049715032 174368638 /nfs/dbraw/zinc/36/86/38/174368638.db2.gz XBGCQTBZYAEMAC-UHFFFAOYSA-N 1 2 248.286 1.442 20 0 BDADLO COC[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000081110090 487628436 /nfs/dbraw/zinc/62/84/36/487628436.db2.gz HURTUXLOKIOGFN-NSHDSACASA-N 1 2 222.288 1.047 20 0 BDADLO COC[C@H]([NH2+]CCCC(C)C)C(=O)OC ZINC000308964180 174579597 /nfs/dbraw/zinc/57/95/97/174579597.db2.gz UDTQWZHCJUVBEW-JTQLQIEISA-N 1 2 217.309 1.200 20 0 BDADLO CO[C@@H](C)CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000291009956 174684545 /nfs/dbraw/zinc/68/45/45/174684545.db2.gz ZWVFMBNOEWBTGB-JTQLQIEISA-N 1 2 237.303 1.040 20 0 BDADLO CO[C@H](C)C[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195127420 174834806 /nfs/dbraw/zinc/83/48/06/174834806.db2.gz OURPNMODTIIRBC-PWSUYJOCSA-N 1 2 246.314 1.519 20 0 BDADLO COc1ccc(C[NH+]2CC(O)(C3CC3)C2)cn1 ZINC000376479552 175098516 /nfs/dbraw/zinc/09/85/16/175098516.db2.gz TWAXXCLHXYOQOY-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CC3)nc1 ZINC000338592264 175101208 /nfs/dbraw/zinc/10/12/08/175101208.db2.gz JYBVAVGKPKKCAP-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CC3)nc1 ZINC000338592264 175101209 /nfs/dbraw/zinc/10/12/09/175101209.db2.gz JYBVAVGKPKKCAP-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000299583245 175141774 /nfs/dbraw/zinc/14/17/74/175141774.db2.gz CYKRXFOEUSBTDC-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO COc1ccc(OC)c([C@H](O)Cn2cc[nH+]c2)c1 ZINC000041300593 175168853 /nfs/dbraw/zinc/16/88/53/175168853.db2.gz DZDOSONQLPCIHS-GFCCVEGCSA-N 1 2 248.282 1.634 20 0 BDADLO COc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC000179443212 175260145 /nfs/dbraw/zinc/26/01/45/175260145.db2.gz IPLYWMTXLQXUHK-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC000179443212 175260147 /nfs/dbraw/zinc/26/01/47/175260147.db2.gz IPLYWMTXLQXUHK-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000234978075 175287819 /nfs/dbraw/zinc/28/78/19/175287819.db2.gz CUYNZNVPTCCFFE-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1cccc([C@H](C)[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000336297767 175292135 /nfs/dbraw/zinc/29/21/35/175292135.db2.gz KBAGWOXFJJMMBJ-MNOVXSKESA-N 1 2 248.326 1.577 20 0 BDADLO COc1cccc([C@H](C)[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000336297767 175292136 /nfs/dbraw/zinc/29/21/36/175292136.db2.gz KBAGWOXFJJMMBJ-MNOVXSKESA-N 1 2 248.326 1.577 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2ncnn2C)c1 ZINC000148339878 175293161 /nfs/dbraw/zinc/29/31/61/175293161.db2.gz YNDWWLNSNSCGAP-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccccc1OC(=O)[C@@H]1CCC[N@@H+]1C ZINC000264623706 175340024 /nfs/dbraw/zinc/34/00/24/175340024.db2.gz MBAFJTAFYLNXMF-JTQLQIEISA-N 1 2 235.283 1.695 20 0 BDADLO COc1ccccc1OC(=O)[C@@H]1CCC[N@H+]1C ZINC000264623706 175340026 /nfs/dbraw/zinc/34/00/26/175340026.db2.gz MBAFJTAFYLNXMF-JTQLQIEISA-N 1 2 235.283 1.695 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287168692 175345332 /nfs/dbraw/zinc/34/53/32/175345332.db2.gz UKMNJNZJLRXSIS-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccccc1[C@H]([NH3+])c1nc(C)no1 ZINC000357413812 175353851 /nfs/dbraw/zinc/35/38/51/175353851.db2.gz WSNRSLPCHVLMLK-JTQLQIEISA-N 1 2 219.244 1.435 20 0 BDADLO COc1cc[nH+]c(CN(CCO)CC(F)F)c1 ZINC000280203713 175357972 /nfs/dbraw/zinc/35/79/72/175357972.db2.gz JHIKJMAJQWHLDR-UHFFFAOYSA-N 1 2 246.257 1.150 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@H]3C[C@H]32)c1 ZINC000366453310 175359217 /nfs/dbraw/zinc/35/92/17/175359217.db2.gz ZPFCXPJTKLJSOA-NEPJUHHUSA-N 1 2 220.272 1.063 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@@H](C3CC3)C2)c1 ZINC000362563428 175359413 /nfs/dbraw/zinc/35/94/13/175359413.db2.gz YZUZVEALEHKKJB-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362563428 175359415 /nfs/dbraw/zinc/35/94/15/175359415.db2.gz YZUZVEALEHKKJB-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362563428 175359417 /nfs/dbraw/zinc/35/94/17/175359417.db2.gz YZUZVEALEHKKJB-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc[nH+]c(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000106933405 175359784 /nfs/dbraw/zinc/35/97/84/175359784.db2.gz XCUOHYOUYQZZQA-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000106933405 175359786 /nfs/dbraw/zinc/35/97/86/175359786.db2.gz XCUOHYOUYQZZQA-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000106933405 175359788 /nfs/dbraw/zinc/35/97/88/175359788.db2.gz XCUOHYOUYQZZQA-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC000023619031 175367892 /nfs/dbraw/zinc/36/78/92/175367892.db2.gz IRDDMJLRNBIFLD-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ncc(C)o1 ZINC000292775039 175371625 /nfs/dbraw/zinc/37/16/25/175371625.db2.gz TTZMDMSRIUIHSF-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO COc1cc[nH+]cc1NC(=O)COC(C)C ZINC000299511184 175375495 /nfs/dbraw/zinc/37/54/95/175375495.db2.gz TYFOTHIMFXIGRY-UHFFFAOYSA-N 1 2 224.260 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1c[nH]cc1C ZINC000336335406 175375993 /nfs/dbraw/zinc/37/59/93/175375993.db2.gz MKWCSWOZMQBEJI-UHFFFAOYSA-N 1 2 231.255 1.979 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1[C@H](C)C1(F)F ZINC000334156336 175376050 /nfs/dbraw/zinc/37/60/50/175376050.db2.gz YCKMIMKDKCYNKG-IMTBSYHQSA-N 1 2 242.225 1.930 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cncnc1C ZINC000341948669 175376210 /nfs/dbraw/zinc/37/62/10/175376210.db2.gz KQMHSGKKOJOIFU-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO COc1cncc(C[N@H+](C2CC2)C2COC2)c1 ZINC000295583251 175384834 /nfs/dbraw/zinc/38/48/34/175384834.db2.gz ZPODMHBNTSSWKR-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cncc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000295583251 175384836 /nfs/dbraw/zinc/38/48/36/175384836.db2.gz ZPODMHBNTSSWKR-UHFFFAOYSA-N 1 2 234.299 1.453 20 0 BDADLO C[C@@H](CF)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000288085929 175692367 /nfs/dbraw/zinc/69/23/67/175692367.db2.gz QEKIRQRPOCVWHI-QMMMGPOBSA-N 1 2 221.235 1.422 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000091701945 176027015 /nfs/dbraw/zinc/02/70/15/176027015.db2.gz PINOQBFWGPQETQ-NSHDSACASA-N 1 2 247.342 1.695 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000091701945 176027017 /nfs/dbraw/zinc/02/70/17/176027017.db2.gz PINOQBFWGPQETQ-NSHDSACASA-N 1 2 247.342 1.695 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000267447036 176027043 /nfs/dbraw/zinc/02/70/43/176027043.db2.gz ZZYCTAWBTLABCF-NSHDSACASA-N 1 2 249.358 1.989 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000267447036 176027044 /nfs/dbraw/zinc/02/70/44/176027044.db2.gz ZZYCTAWBTLABCF-NSHDSACASA-N 1 2 249.358 1.989 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000330503995 176030289 /nfs/dbraw/zinc/03/02/89/176030289.db2.gz GMLLVURYUOYPDB-GXSJLCMTSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000330503995 176030291 /nfs/dbraw/zinc/03/02/91/176030291.db2.gz GMLLVURYUOYPDB-GXSJLCMTSA-N 1 2 235.287 1.379 20 0 BDADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCO ZINC000153138482 176035543 /nfs/dbraw/zinc/03/55/43/176035543.db2.gz ZDTDJKMJYBLVOS-NSHDSACASA-N 1 2 246.314 1.252 20 0 BDADLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCO ZINC000153138482 176035544 /nfs/dbraw/zinc/03/55/44/176035544.db2.gz ZDTDJKMJYBLVOS-NSHDSACASA-N 1 2 246.314 1.252 20 0 BDADLO C[C@@H](c1cnccn1)N(C)Cc1[nH+]ccn1C ZINC000341323151 176035843 /nfs/dbraw/zinc/03/58/43/176035843.db2.gz UPWGGXPHTZJGEM-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCc2cncnc2C1 ZINC000332517097 176037776 /nfs/dbraw/zinc/03/77/76/176037776.db2.gz KLGIGDYDWWEXIZ-JTQLQIEISA-N 1 2 241.298 1.386 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCc2cncnc2C1 ZINC000332517097 176037778 /nfs/dbraw/zinc/03/77/78/176037778.db2.gz KLGIGDYDWWEXIZ-JTQLQIEISA-N 1 2 241.298 1.386 20 0 BDADLO C[C@@H]1CCCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000331640555 176065123 /nfs/dbraw/zinc/06/51/23/176065123.db2.gz MZSJMIJBCUKQJS-MRVPVSSYSA-N 1 2 210.281 1.132 20 0 BDADLO C[C@@H]1CCCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000331640555 176065124 /nfs/dbraw/zinc/06/51/24/176065124.db2.gz MZSJMIJBCUKQJS-MRVPVSSYSA-N 1 2 210.281 1.132 20 0 BDADLO C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000279291585 176066228 /nfs/dbraw/zinc/06/62/28/176066228.db2.gz YECZFJFRCULDPS-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000104094946 176099699 /nfs/dbraw/zinc/09/96/99/176099699.db2.gz LPBIRSPWEXBYQO-SNVBAGLBSA-N 1 2 246.314 1.255 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000104094946 176099700 /nfs/dbraw/zinc/09/97/00/176099700.db2.gz LPBIRSPWEXBYQO-SNVBAGLBSA-N 1 2 246.314 1.255 20 0 BDADLO C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000280249135 176104525 /nfs/dbraw/zinc/10/45/25/176104525.db2.gz UGJDAXZQCXJCDU-SNVBAGLBSA-N 1 2 221.304 1.364 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291015185 176129004 /nfs/dbraw/zinc/12/90/04/176129004.db2.gz NMAYNTLZMSQLAR-PWSUYJOCSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000299623379 176178632 /nfs/dbraw/zinc/17/86/32/176178632.db2.gz JYVNKBJAASKWPF-MRVPVSSYSA-N 1 2 213.712 1.915 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000299623379 176178634 /nfs/dbraw/zinc/17/86/34/176178634.db2.gz JYVNKBJAASKWPF-MRVPVSSYSA-N 1 2 213.712 1.915 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000268236154 176200851 /nfs/dbraw/zinc/20/08/51/176200851.db2.gz BZUIYRSKUXXMKB-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO CC(=O)NC(C)(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000674837999 487632848 /nfs/dbraw/zinc/63/28/48/487632848.db2.gz GZCWEOCSRRBDOY-UHFFFAOYSA-N 1 2 249.314 1.552 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483495 176225256 /nfs/dbraw/zinc/22/52/56/176225256.db2.gz WNMMANOAPNQVCZ-GHMZBOCLSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCc3c(ncn3C)C2)O1 ZINC000375483495 176225258 /nfs/dbraw/zinc/22/52/58/176225258.db2.gz WNMMANOAPNQVCZ-GHMZBOCLSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@@H]1CC[C@H](CN2CCc3c([nH+]cn3C)C2)O1 ZINC000375483495 176225260 /nfs/dbraw/zinc/22/52/60/176225260.db2.gz WNMMANOAPNQVCZ-GHMZBOCLSA-N 1 2 235.331 1.346 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)O1 ZINC000354899019 176225485 /nfs/dbraw/zinc/22/54/85/176225485.db2.gz VJOCUODFNGXJTR-YZELDIBWSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)O1 ZINC000354899019 176225486 /nfs/dbraw/zinc/22/54/86/176225486.db2.gz VJOCUODFNGXJTR-YZELDIBWSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CC[C@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302869899 176234749 /nfs/dbraw/zinc/23/47/49/176234749.db2.gz BBNFPNNJVIKOFW-SFYZADRCSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000279285052 176246640 /nfs/dbraw/zinc/24/66/40/176246640.db2.gz YBNLYOIXBLBZDX-AOOOYVTPSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/Cl)CC[S@@](=O)C1 ZINC000307752444 176280019 /nfs/dbraw/zinc/28/00/19/176280019.db2.gz RRFISVCZLFWRMK-FCNWEHEKSA-N 1 2 221.753 1.439 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/Cl)CC[S@@](=O)C1 ZINC000307752444 176280017 /nfs/dbraw/zinc/28/00/17/176280017.db2.gz RRFISVCZLFWRMK-FCNWEHEKSA-N 1 2 221.753 1.439 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H](CO)O1 ZINC000336784382 176280052 /nfs/dbraw/zinc/28/00/52/176280052.db2.gz PZTSPVNLXCVCPK-VZFGUZNESA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H](CO)O1 ZINC000336784382 176280054 /nfs/dbraw/zinc/28/00/54/176280054.db2.gz PZTSPVNLXCVCPK-VZFGUZNESA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1C[N@H+](CCC(=O)c2ccccc2)CC(=O)N1 ZINC000296105338 176286414 /nfs/dbraw/zinc/28/64/14/176286414.db2.gz GTFVHPIGYBFCEA-LLVKDONJSA-N 1 2 246.310 1.080 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(=O)c2ccccc2)CC(=O)N1 ZINC000296105338 176286415 /nfs/dbraw/zinc/28/64/15/176286415.db2.gz GTFVHPIGYBFCEA-LLVKDONJSA-N 1 2 246.310 1.080 20 0 BDADLO C[C@@H]1C[NH+](C[C@H]2CCCO2)C[C@@H](C)S1=O ZINC000339126056 176300758 /nfs/dbraw/zinc/30/07/58/176300758.db2.gz DYMOQEFELNMEQS-GMTAPVOTSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[NH+](C[C@](C)(O)C(F)(F)F)C[C@@H](C)O1 ZINC000309797466 176301797 /nfs/dbraw/zinc/30/17/97/176301797.db2.gz VQTOUKRAGMINCX-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H](C2CC2)O1 ZINC000336543132 176308555 /nfs/dbraw/zinc/30/85/55/176308555.db2.gz QIBMMLNUHWDERQ-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H](C2CC2)O1 ZINC000336543132 176308557 /nfs/dbraw/zinc/30/85/57/176308557.db2.gz QIBMMLNUHWDERQ-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@]2(CCOC2)O1 ZINC000280642795 176308929 /nfs/dbraw/zinc/30/89/29/176308929.db2.gz YIKQTOCNISIUNC-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@]2(CCOC2)O1 ZINC000280642795 176308931 /nfs/dbraw/zinc/30/89/31/176308931.db2.gz YIKQTOCNISIUNC-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)[C@@H]1C ZINC000336331211 176312339 /nfs/dbraw/zinc/31/23/39/176312339.db2.gz PRPKQAMVQOOYOD-HTQZYQBOSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)[C@@H]1C ZINC000336331211 176312341 /nfs/dbraw/zinc/31/23/41/176312341.db2.gz PRPKQAMVQOOYOD-HTQZYQBOSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)[C@@H]1C ZINC000336511530 176313395 /nfs/dbraw/zinc/31/33/95/176313395.db2.gz ADTDUXXBCYYJNM-NXEZZACHSA-N 1 2 220.320 1.455 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)[C@@H]1C ZINC000336511530 176313396 /nfs/dbraw/zinc/31/33/96/176313396.db2.gz ADTDUXXBCYYJNM-NXEZZACHSA-N 1 2 220.320 1.455 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339571159 176316345 /nfs/dbraw/zinc/31/63/45/176316345.db2.gz BSSVPTRIXDBPQM-BWZBUEFSSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339571159 176316346 /nfs/dbraw/zinc/31/63/46/176316346.db2.gz BSSVPTRIXDBPQM-BWZBUEFSSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1O ZINC000351499984 176319224 /nfs/dbraw/zinc/31/92/24/176319224.db2.gz FBJGXIFTJIKORH-APPZFPTMSA-N 1 2 246.232 1.917 20 0 BDADLO C[C@@H]1COCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000309241073 176332946 /nfs/dbraw/zinc/33/29/46/176332946.db2.gz ARRASTUVHXJKPJ-ZETCQYMHSA-N 1 2 242.710 1.185 20 0 BDADLO C[C@@H]1COCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000309241073 176332949 /nfs/dbraw/zinc/33/29/49/176332949.db2.gz ARRASTUVHXJKPJ-ZETCQYMHSA-N 1 2 242.710 1.185 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC(C)(C)C ZINC000355074216 176336267 /nfs/dbraw/zinc/33/62/67/176336267.db2.gz BVMKRRCJIPGJHB-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC(C)(C)C ZINC000355074216 176336268 /nfs/dbraw/zinc/33/62/68/176336268.db2.gz BVMKRRCJIPGJHB-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1ccn(C)n1 ZINC000271194376 176351326 /nfs/dbraw/zinc/35/13/26/176351326.db2.gz QYHCKWADLZIIJW-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1ccn(C)n1 ZINC000271194376 176351328 /nfs/dbraw/zinc/35/13/28/176351328.db2.gz QYHCKWADLZIIJW-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)NCc2c[nH+]cn2C)C1 ZINC000336290756 176362778 /nfs/dbraw/zinc/36/27/78/176362778.db2.gz CUQZVLRNGIOOPD-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+](C)CC(F)F)CCO1 ZINC000352727725 176368035 /nfs/dbraw/zinc/36/80/35/176368035.db2.gz TTZAPWQHIXYGAE-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+](C)CC(F)F)CCO1 ZINC000352727725 176368037 /nfs/dbraw/zinc/36/80/37/176368037.db2.gz TTZAPWQHIXYGAE-BDAKNGLRSA-N 1 2 207.264 1.998 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000336354572 176392350 /nfs/dbraw/zinc/39/23/50/176392350.db2.gz TXCJSUYYJXTRMP-RKDXNWHRSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000336354572 176392352 /nfs/dbraw/zinc/39/23/52/176392352.db2.gz TXCJSUYYJXTRMP-RKDXNWHRSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333792995 176394023 /nfs/dbraw/zinc/39/40/23/176394023.db2.gz DSKSXFPJCWMASI-GWOFURMSSA-N 1 2 248.330 1.844 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)C(C)(F)F ZINC000293007198 176575143 /nfs/dbraw/zinc/57/51/43/176575143.db2.gz GRMCEGBUQJKEPR-SSDOTTSWSA-N 1 2 231.246 1.328 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1cccc(O)c1 ZINC000287160592 176882481 /nfs/dbraw/zinc/88/24/81/176882481.db2.gz TZHRDLDTZDJPJI-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO C[C@H](c1cccc(Cl)c1F)[N@H+](C)CC(N)=O ZINC000359832595 177036656 /nfs/dbraw/zinc/03/66/56/177036656.db2.gz DTRJUGUQRSJDGH-SSDOTTSWSA-N 1 2 244.697 1.957 20 0 BDADLO C[C@H](c1cccc(Cl)c1F)[N@@H+](C)CC(N)=O ZINC000359832595 177036658 /nfs/dbraw/zinc/03/66/58/177036658.db2.gz DTRJUGUQRSJDGH-SSDOTTSWSA-N 1 2 244.697 1.957 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cnn(C)n1 ZINC000289338944 177037451 /nfs/dbraw/zinc/03/74/51/177037451.db2.gz IZXSEUFZMVGMJP-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cnn(C)n1 ZINC000289338944 177037452 /nfs/dbraw/zinc/03/74/52/177037452.db2.gz IZXSEUFZMVGMJP-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)CCS(C)(=O)=O ZINC000264716609 177050612 /nfs/dbraw/zinc/05/06/12/177050612.db2.gz NTPXSOWLXCDMPA-SNVBAGLBSA-N 1 2 242.344 1.119 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)CCS(C)(=O)=O ZINC000264716609 177050614 /nfs/dbraw/zinc/05/06/14/177050614.db2.gz NTPXSOWLXCDMPA-SNVBAGLBSA-N 1 2 242.344 1.119 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc[nH]n1 ZINC000114461162 177050638 /nfs/dbraw/zinc/05/06/38/177050638.db2.gz XTLCQFBJWAJTTN-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000114461162 177050640 /nfs/dbraw/zinc/05/06/40/177050640.db2.gz XTLCQFBJWAJTTN-SNVBAGLBSA-N 1 2 216.288 1.998 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCCO ZINC000331778245 177053471 /nfs/dbraw/zinc/05/34/71/177053471.db2.gz OYDWHIYQTXRSQC-MRVPVSSYSA-N 1 2 225.292 1.322 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCCO ZINC000331778245 177053473 /nfs/dbraw/zinc/05/34/73/177053473.db2.gz OYDWHIYQTXRSQC-MRVPVSSYSA-N 1 2 225.292 1.322 20 0 BDADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCO ZINC000153141921 177054618 /nfs/dbraw/zinc/05/46/18/177054618.db2.gz DRWCMHAELOAVPJ-SECBINFHSA-N 1 2 226.320 1.957 20 0 BDADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCO ZINC000153141921 177054620 /nfs/dbraw/zinc/05/46/20/177054620.db2.gz DRWCMHAELOAVPJ-SECBINFHSA-N 1 2 226.320 1.957 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000249273635 177055359 /nfs/dbraw/zinc/05/53/59/177055359.db2.gz JODHUDSZQQUUDM-ZJUUUORDSA-N 1 2 247.302 1.701 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000249273635 177055360 /nfs/dbraw/zinc/05/53/60/177055360.db2.gz JODHUDSZQQUUDM-ZJUUUORDSA-N 1 2 247.302 1.701 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NC2=[NH+]CCS2)C1 ZINC000267847163 177066961 /nfs/dbraw/zinc/06/69/61/177066961.db2.gz KDZBCUJVDJDGKU-INTFFVIUSA-N 1 2 224.329 1.952 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000072558622 177115860 /nfs/dbraw/zinc/11/58/60/177115860.db2.gz HHVFRWKYCXOBDG-PHIMTYICSA-N 1 2 221.304 1.673 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000336081544 177129090 /nfs/dbraw/zinc/12/90/90/177129090.db2.gz CBUAVTRENJXPLR-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000336081544 177129092 /nfs/dbraw/zinc/12/90/92/177129092.db2.gz CBUAVTRENJXPLR-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000337464189 177141810 /nfs/dbraw/zinc/14/18/10/177141810.db2.gz LVNRTXUVTMTQIZ-GXSJLCMTSA-N 1 2 246.314 1.301 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1O ZINC000336586573 177168548 /nfs/dbraw/zinc/16/85/48/177168548.db2.gz HEPISNSMIHSQTN-GXSJLCMTSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1O ZINC000336586573 177168550 /nfs/dbraw/zinc/16/85/50/177168550.db2.gz HEPISNSMIHSQTN-GXSJLCMTSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)n2C)[C@@H]1CO ZINC000189731004 177168599 /nfs/dbraw/zinc/16/85/99/177168599.db2.gz UYIPZIJSKWLKTJ-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)n2C)[C@@H]1CO ZINC000189731004 177168600 /nfs/dbraw/zinc/16/86/00/177168600.db2.gz UYIPZIJSKWLKTJ-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1CC[C@H](C)C1 ZINC000289998329 177169648 /nfs/dbraw/zinc/16/96/48/177169648.db2.gz KZCIJHZNARCZHC-NKWVEPMBSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1CC[C@H](C)C1 ZINC000289998329 177169649 /nfs/dbraw/zinc/16/96/49/177169649.db2.gz KZCIJHZNARCZHC-NKWVEPMBSA-N 1 2 241.726 1.510 20 0 BDADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000299903535 177171694 /nfs/dbraw/zinc/17/16/94/177171694.db2.gz JAVOKVHNOLGWPI-JOYOIKCWSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1O ZINC000092977824 177171699 /nfs/dbraw/zinc/17/16/99/177171699.db2.gz JAVOKVHNOLGWPI-CABZTGNLSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000362045197 177177633 /nfs/dbraw/zinc/17/76/33/177177633.db2.gz KSOXFYXTYHESIM-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000362045197 177177634 /nfs/dbraw/zinc/17/76/34/177177634.db2.gz KSOXFYXTYHESIM-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1CC[C@@H](CCC(=O)NCc2c[nH+]c[nH]2)O1 ZINC000332350979 177188286 /nfs/dbraw/zinc/18/82/86/177188286.db2.gz VKVBFYJFNAYKRJ-ONGXEEELSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@H]1CC[C@@H](CCC(=O)NCc2c[nH]c[nH+]2)O1 ZINC000332350979 177188287 /nfs/dbraw/zinc/18/82/87/177188287.db2.gz VKVBFYJFNAYKRJ-ONGXEEELSA-N 1 2 237.303 1.374 20 0 BDADLO C[C@H]1CC[C@@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000129628341 177188642 /nfs/dbraw/zinc/18/86/42/177188642.db2.gz FHNAZGPHBREOTM-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2nccn2C)O1 ZINC000276419078 177189288 /nfs/dbraw/zinc/18/92/88/177189288.db2.gz NOELGZWCQGLLPR-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2nccn2C)O1 ZINC000276419078 177189289 /nfs/dbraw/zinc/18/92/89/177189289.db2.gz NOELGZWCQGLLPR-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000360474547 177190543 /nfs/dbraw/zinc/19/05/43/177190543.db2.gz PWRRLPHYTNRVHN-WDEREUQCSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000283279501 177211256 /nfs/dbraw/zinc/21/12/56/177211256.db2.gz WFDNXKVKFYKEMH-LDYOUVJNSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@H]1C[N@H+](C/C=C\c2ccccc2)CC(=O)N1C ZINC000337460432 177241272 /nfs/dbraw/zinc/24/12/72/177241272.db2.gz PCUADLXEZXTUDF-XURPKSDJSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C\c2ccccc2)CC(=O)N1C ZINC000337460432 177241273 /nfs/dbraw/zinc/24/12/73/177241273.db2.gz PCUADLXEZXTUDF-XURPKSDJSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)OC(C)(C)C)CC[C@@H]1O ZINC000127186816 177244366 /nfs/dbraw/zinc/24/43/66/177244366.db2.gz RGWLTMXSOKWYIL-UWVGGRQHSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@@H]1O ZINC000127186816 177244368 /nfs/dbraw/zinc/24/43/68/177244368.db2.gz RGWLTMXSOKWYIL-UWVGGRQHSA-N 1 2 229.320 1.031 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccccc2)CC[S@]1=O ZINC000336571993 177253692 /nfs/dbraw/zinc/25/36/92/177253692.db2.gz UUHDNEOMCRSRKF-BLLLJJGKSA-N 1 2 237.368 1.682 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccccc2)CC[S@]1=O ZINC000336571993 177253693 /nfs/dbraw/zinc/25/36/93/177253693.db2.gz UUHDNEOMCRSRKF-BLLLJJGKSA-N 1 2 237.368 1.682 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cn1 ZINC000276364116 177263195 /nfs/dbraw/zinc/26/31/95/177263195.db2.gz MVJZHMXGLSRYTP-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cn1 ZINC000276364116 177263196 /nfs/dbraw/zinc/26/31/96/177263196.db2.gz MVJZHMXGLSRYTP-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc(F)c2)CC(=O)N1C ZINC000282097538 177264606 /nfs/dbraw/zinc/26/46/06/177264606.db2.gz ILZOUWIBXLDXFR-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc(F)c2)CC(=O)N1C ZINC000282097538 177264609 /nfs/dbraw/zinc/26/46/09/177264609.db2.gz ILZOUWIBXLDXFR-JTQLQIEISA-N 1 2 236.290 1.488 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)C[C@@H](C2CC2)O1 ZINC000336543129 177267203 /nfs/dbraw/zinc/26/72/03/177267203.db2.gz QIBMMLNUHWDERQ-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@H](C2CC2)O1 ZINC000336543129 177267204 /nfs/dbraw/zinc/26/72/04/177267204.db2.gz QIBMMLNUHWDERQ-GWCFXTLKSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccon2)C[C@H](C2CC2)O1 ZINC000279276763 177267256 /nfs/dbraw/zinc/26/72/56/177267256.db2.gz JVWBOHCCRAJJOW-JOYOIKCWSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccon2)C[C@H](C2CC2)O1 ZINC000279276763 177267257 /nfs/dbraw/zinc/26/72/57/177267257.db2.gz JVWBOHCCRAJJOW-JOYOIKCWSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H](C)O1 ZINC000269539747 177267446 /nfs/dbraw/zinc/26/74/46/177267446.db2.gz WGYLRIIOPKCYBS-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H](C)O1 ZINC000269539747 177267448 /nfs/dbraw/zinc/26/74/48/177267448.db2.gz WGYLRIIOPKCYBS-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000271072874 177267770 /nfs/dbraw/zinc/26/77/70/177267770.db2.gz OWTBPXBYRVPKPP-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000271072874 177267775 /nfs/dbraw/zinc/26/77/75/177267775.db2.gz OWTBPXBYRVPKPP-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2)CCC1=O ZINC000049693655 177268208 /nfs/dbraw/zinc/26/82/08/177268208.db2.gz WPNGPNTYDIBHRQ-JTQLQIEISA-N 1 2 204.273 1.493 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2)CCC1=O ZINC000049693655 177268210 /nfs/dbraw/zinc/26/82/10/177268210.db2.gz WPNGPNTYDIBHRQ-JTQLQIEISA-N 1 2 204.273 1.493 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccs2)CC(=O)N1 ZINC000294732077 177268607 /nfs/dbraw/zinc/26/86/07/177268607.db2.gz DIPCTNSCGNRIHN-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccs2)CC(=O)N1 ZINC000294732077 177268608 /nfs/dbraw/zinc/26/86/08/177268608.db2.gz DIPCTNSCGNRIHN-QMMMGPOBSA-N 1 2 210.302 1.068 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC(C)(C)C ZINC000355074217 177290895 /nfs/dbraw/zinc/29/08/95/177290895.db2.gz BVMKRRCJIPGJHB-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC(C)(C)C ZINC000355074217 177290897 /nfs/dbraw/zinc/29/08/97/177290897.db2.gz BVMKRRCJIPGJHB-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]1COCCN1Cc1cccc2[nH+]ccn21 ZINC000271741354 177292002 /nfs/dbraw/zinc/29/20/02/177292002.db2.gz RAZPEUCZSULDFO-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc2nccn21 ZINC000271741354 177292003 /nfs/dbraw/zinc/29/20/03/177292003.db2.gz RAZPEUCZSULDFO-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc2nccn21 ZINC000271741354 177292005 /nfs/dbraw/zinc/29/20/05/177292005.db2.gz RAZPEUCZSULDFO-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCCN1c1[nH]c2ccccc2[nH+]1 ZINC000270616287 177293589 /nfs/dbraw/zinc/29/35/89/177293589.db2.gz ZJTSZRBHLFWTJJ-VIFPVBQESA-N 1 2 217.272 1.788 20 0 BDADLO C[C@H]1C[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000075979465 177347379 /nfs/dbraw/zinc/34/73/79/177347379.db2.gz FUEHFDKNQDAYKO-ONGXEEELSA-N 1 2 248.330 1.355 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276661760 177356954 /nfs/dbraw/zinc/35/69/54/177356954.db2.gz MSPGSNSFJLZZGR-SEUFLZDSSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)NCc2c[nH+]cn2C)C1 ZINC000336290757 177359673 /nfs/dbraw/zinc/35/96/73/177359673.db2.gz CUQZVLRNGIOOPD-UWVGGRQHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340893698 177389331 /nfs/dbraw/zinc/38/93/31/177389331.db2.gz HRGIGEZMCAXNFX-VIFPVBQESA-N 1 2 244.298 1.457 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340893698 177389333 /nfs/dbraw/zinc/38/93/33/177389333.db2.gz HRGIGEZMCAXNFX-VIFPVBQESA-N 1 2 244.298 1.457 20 0 BDADLO C[C@H]1N(Cc2[nH+]ccn2C)CCOC1(C)C ZINC000336612346 177392529 /nfs/dbraw/zinc/39/25/29/177392529.db2.gz BPUUYIKXIRSUHO-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1[N@H+](Cc2nccn2C)CCOC1(C)C ZINC000336612346 177392531 /nfs/dbraw/zinc/39/25/31/177392531.db2.gz BPUUYIKXIRSUHO-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1[N@@H+](Cc2nccn2C)CCOC1(C)C ZINC000336612346 177392533 /nfs/dbraw/zinc/39/25/33/177392533.db2.gz BPUUYIKXIRSUHO-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1[N@H+](CC(=O)NC(C)(C)C)CCOC1(C)C ZINC000336346754 177392560 /nfs/dbraw/zinc/39/25/60/177392560.db2.gz XUVBGYMLKBUYSU-SNVBAGLBSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@H]1[N@@H+](CC(=O)NC(C)(C)C)CCOC1(C)C ZINC000336346754 177392562 /nfs/dbraw/zinc/39/25/62/177392562.db2.gz XUVBGYMLKBUYSU-SNVBAGLBSA-N 1 2 242.363 1.400 20 0 BDADLO COCc1cnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000471803148 225081832 /nfs/dbraw/zinc/08/18/32/225081832.db2.gz FSTHJYWDUVCPAL-BDAKNGLRSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1cnc(C[N@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000471803148 225081833 /nfs/dbraw/zinc/08/18/33/225081833.db2.gz FSTHJYWDUVCPAL-BDAKNGLRSA-N 1 2 242.344 1.245 20 0 BDADLO Cc1cc(NCc2ccccc2N(C)C)nc[nH+]1 ZINC000471826360 225085872 /nfs/dbraw/zinc/08/58/72/225085872.db2.gz MLXOLNMCBADEGM-UHFFFAOYSA-N 1 2 242.326 1.885 20 0 BDADLO Cc1cc(N2CC(C)(C)OC[C@@H]2C)nc[nH+]1 ZINC000487082573 225287204 /nfs/dbraw/zinc/28/72/04/225287204.db2.gz DVIHDHKXBJOICI-JTQLQIEISA-N 1 2 221.304 1.789 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H](C)C(C)C)[nH+]1 ZINC000488408338 225391020 /nfs/dbraw/zinc/39/10/20/225391020.db2.gz FBOUBSFEFDKLKI-VIFPVBQESA-N 1 2 237.351 1.372 20 0 BDADLO Cc1nc(NC[C@H](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488408338 225391021 /nfs/dbraw/zinc/39/10/21/225391021.db2.gz FBOUBSFEFDKLKI-VIFPVBQESA-N 1 2 237.351 1.372 20 0 BDADLO COC[C@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC000309097116 487648592 /nfs/dbraw/zinc/64/85/92/487648592.db2.gz FHQNWENVOICYIG-QMMMGPOBSA-N 1 2 213.281 1.318 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000492806986 226056809 /nfs/dbraw/zinc/05/68/09/226056809.db2.gz AMVWWYSDLGRCKI-PGLGOXFNSA-N 1 2 231.299 1.681 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCCC1 ZINC000492809362 226056901 /nfs/dbraw/zinc/05/69/01/226056901.db2.gz FWCNGPKDWJAMHV-WAYWQWQTSA-N 1 2 219.288 1.729 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000492806985 226057840 /nfs/dbraw/zinc/05/78/40/226057840.db2.gz AMVWWYSDLGRCKI-DLRQAJBASA-N 1 2 231.299 1.681 20 0 BDADLO C[C@H](N(C)C(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)O ZINC000493113394 226130057 /nfs/dbraw/zinc/13/00/57/226130057.db2.gz GCVGWLOHUFMTSV-CYNONHLPSA-N 1 2 237.303 1.041 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1CCO ZINC000493122725 226133934 /nfs/dbraw/zinc/13/39/34/226133934.db2.gz UIIBBDSNMOEECK-BXXZLRJFSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](F)C1 ZINC000493134228 226135998 /nfs/dbraw/zinc/13/59/98/226135998.db2.gz UZLOWHIYLWAJEB-CDAZIORVSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(/C=C/C1CCCC1)NCCn1cc[nH+]c1 ZINC000493142216 226138767 /nfs/dbraw/zinc/13/87/67/226138767.db2.gz VOXMUVRANAXJFF-AATRIKPKSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOC1CCCC1 ZINC000493151979 226141136 /nfs/dbraw/zinc/14/11/36/226141136.db2.gz KQEABSWNBHMYBR-WAYWQWQTSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@H](O)[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493199970 226153776 /nfs/dbraw/zinc/15/37/76/226153776.db2.gz DNGYYZHATKZTAQ-XXJOZFEBSA-N 1 2 249.314 1.042 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000493232474 226161843 /nfs/dbraw/zinc/16/18/43/226161843.db2.gz XBDPUVWAYSQTOW-PYIQSQQJSA-N 1 2 245.326 1.975 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000493260112 226168645 /nfs/dbraw/zinc/16/86/45/226168645.db2.gz QZIFEPDKPHVWCL-XMXMHJJKSA-N 1 2 245.326 1.975 20 0 BDADLO O=C(/C=C/C1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000493273698 226172801 /nfs/dbraw/zinc/17/28/01/226172801.db2.gz QSIITKMVSSEWFK-AATRIKPKSA-N 1 2 245.326 1.972 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/C1CCOCC1 ZINC000493284386 226175205 /nfs/dbraw/zinc/17/52/05/226175205.db2.gz IRBSRVYRQMBJSC-NSCUHMNNSA-N 1 2 249.314 1.019 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCSC1 ZINC000493383578 226201342 /nfs/dbraw/zinc/20/13/42/226201342.db2.gz JGUSTVULFBANJX-CMLYIYFCSA-N 1 2 223.301 1.045 20 0 BDADLO COC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCCC1 ZINC000493402282 226206688 /nfs/dbraw/zinc/20/66/88/226206688.db2.gz PTVVISWRVQCPGV-SNAWJCMRSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1cnccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493507883 226235942 /nfs/dbraw/zinc/23/59/42/226235942.db2.gz ANVSMFDFPBBWQZ-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(/C=C\C1CCCC1)NCc1[nH]cc[nH+]1 ZINC000493566130 226243821 /nfs/dbraw/zinc/24/38/21/226243821.db2.gz YNLRVUGDMABBHJ-WAYWQWQTSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(C=CC1CCCC1)NCc1[nH]cc[nH+]1 ZINC000493566130 226243822 /nfs/dbraw/zinc/24/38/22/226243822.db2.gz YNLRVUGDMABBHJ-WAYWQWQTSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC1(F)CCC1 ZINC000493612700 226245988 /nfs/dbraw/zinc/24/59/88/226245988.db2.gz FKNRXGLDXRMWPK-IHWYPQMZSA-N 1 2 237.278 1.821 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC/C=C/Cl ZINC000493672528 226248742 /nfs/dbraw/zinc/24/87/42/226248742.db2.gz HNDHOZCVXYTXLU-DXLKSGPOSA-N 1 2 227.651 1.223 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C ZINC000493754807 226252507 /nfs/dbraw/zinc/25/25/07/226252507.db2.gz LCDHBEFAQZZQKQ-AATRIKPKSA-N 1 2 207.277 1.680 20 0 BDADLO COCCOCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494223327 226262363 /nfs/dbraw/zinc/26/23/63/226262363.db2.gz LQZQKVQXOCYCTP-SNVBAGLBSA-N 1 2 237.290 1.627 20 0 BDADLO COCCOCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494223327 226262364 /nfs/dbraw/zinc/26/23/64/226262364.db2.gz LQZQKVQXOCYCTP-SNVBAGLBSA-N 1 2 237.290 1.627 20 0 BDADLO Cn1cccc1C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494659152 226267868 /nfs/dbraw/zinc/26/78/68/226267868.db2.gz MWBWSXBUNIABAP-LBPRGKRZSA-N 1 2 249.314 1.052 20 0 BDADLO Cn1cccc1C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494659152 226267869 /nfs/dbraw/zinc/26/78/69/226267869.db2.gz MWBWSXBUNIABAP-LBPRGKRZSA-N 1 2 249.314 1.052 20 0 BDADLO Cc1cc(C)cc(C[NH+]2CC3(C2)CNC(=O)O3)c1 ZINC000496596621 226309122 /nfs/dbraw/zinc/30/91/22/226309122.db2.gz QJXMHBFBLZDOJF-UHFFFAOYSA-N 1 2 246.310 1.598 20 0 BDADLO Cc1cccc(C[NH+]2CC3(C2)CNC(=O)O3)c1C ZINC000496638747 226310298 /nfs/dbraw/zinc/31/02/98/226310298.db2.gz GFNKYJYMZPYYPE-UHFFFAOYSA-N 1 2 246.310 1.598 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)OCCCF ZINC000497100881 226322517 /nfs/dbraw/zinc/32/25/17/226322517.db2.gz SOMVHKHMUBLSBC-UHFFFAOYSA-N 1 2 229.255 1.359 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000678046475 487652727 /nfs/dbraw/zinc/65/27/27/487652727.db2.gz XEAOZEGHTPUNDG-QWRGUYRKSA-N 1 2 225.288 1.281 20 0 BDADLO C[C@H](CO)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000678046475 487652735 /nfs/dbraw/zinc/65/27/35/487652735.db2.gz XEAOZEGHTPUNDG-QWRGUYRKSA-N 1 2 225.288 1.281 20 0 BDADLO COc1cc(C)[nH+]c(COCCc2cn[nH]n2)c1 ZINC000557269309 322935824 /nfs/dbraw/zinc/93/58/24/322935824.db2.gz NJHBTYHHAWQIQA-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO CC[NH+]1CCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000680843249 487656944 /nfs/dbraw/zinc/65/69/44/487656944.db2.gz WFIXHCPHQKXWIX-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO Cc1cc(N2CCCOC[C@H]2C)nc[nH+]1 ZINC000676492054 487660333 /nfs/dbraw/zinc/66/03/33/487660333.db2.gz IMDCGWVXCZEBJY-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C)nc1 ZINC000680930524 487671975 /nfs/dbraw/zinc/67/19/75/487671975.db2.gz AZGLESUBGUGTIC-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C)nc1 ZINC000680930524 487671980 /nfs/dbraw/zinc/67/19/80/487671980.db2.gz AZGLESUBGUGTIC-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC12CCC2 ZINC000675336606 487674385 /nfs/dbraw/zinc/67/43/85/487674385.db2.gz ZZBDRGSDIKNLOA-VIFPVBQESA-N 1 2 219.288 1.525 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000152004623 487681295 /nfs/dbraw/zinc/68/12/95/487681295.db2.gz MESKIJIAYNWHDH-JTQLQIEISA-N 1 2 241.312 1.122 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000152004623 487681298 /nfs/dbraw/zinc/68/12/98/487681298.db2.gz MESKIJIAYNWHDH-JTQLQIEISA-N 1 2 241.312 1.122 20 0 BDADLO CCC[C@@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000669693623 487682466 /nfs/dbraw/zinc/68/24/66/487682466.db2.gz BFFHKZXRJSBFJP-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000669693623 487682471 /nfs/dbraw/zinc/68/24/71/487682471.db2.gz BFFHKZXRJSBFJP-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccnn1CC1CC1 ZINC000667639951 487687240 /nfs/dbraw/zinc/68/72/40/487687240.db2.gz HCLAOCBTHBGTFE-UHFFFAOYSA-N 1 2 245.330 1.648 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccnn1CC1CC1 ZINC000667639951 487687248 /nfs/dbraw/zinc/68/72/48/487687248.db2.gz HCLAOCBTHBGTFE-UHFFFAOYSA-N 1 2 245.330 1.648 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000669696557 487689926 /nfs/dbraw/zinc/68/99/26/487689926.db2.gz VWLSHZHSHGJZSY-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000669696557 487689927 /nfs/dbraw/zinc/68/99/27/487689927.db2.gz VWLSHZHSHGJZSY-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCCOCC1 ZINC000336215621 487692391 /nfs/dbraw/zinc/69/23/91/487692391.db2.gz KXTYLMRDYQGPER-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO Fc1cnccc1C[N@H+]1CCCOCC1 ZINC000336215621 487692394 /nfs/dbraw/zinc/69/23/94/487692394.db2.gz KXTYLMRDYQGPER-UHFFFAOYSA-N 1 2 210.252 1.443 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCCCF ZINC000671688482 487692639 /nfs/dbraw/zinc/69/26/39/487692639.db2.gz HADVWVARDBRZFP-QMMMGPOBSA-N 1 2 211.227 1.438 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCCCF ZINC000671688482 487692643 /nfs/dbraw/zinc/69/26/43/487692643.db2.gz HADVWVARDBRZFP-QMMMGPOBSA-N 1 2 211.227 1.438 20 0 BDADLO CCOC1CC(C[N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC000671688518 487692733 /nfs/dbraw/zinc/69/27/33/487692733.db2.gz YITSUAJTFGXQFO-YVNMAJEFSA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1CC(C[N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC000671688518 487692738 /nfs/dbraw/zinc/69/27/38/487692738.db2.gz YITSUAJTFGXQFO-YVNMAJEFSA-N 1 2 249.301 1.503 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178821753 487701386 /nfs/dbraw/zinc/70/13/86/487701386.db2.gz YJOYFAZEJHQQET-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO CO[C@H](C)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671710506 487702513 /nfs/dbraw/zinc/70/25/13/487702513.db2.gz GNPHWWSJTCBKGC-DJLDLDEBSA-N 1 2 241.253 1.673 20 0 BDADLO CO[C@H](C)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671710506 487702519 /nfs/dbraw/zinc/70/25/19/487702519.db2.gz GNPHWWSJTCBKGC-DJLDLDEBSA-N 1 2 241.253 1.673 20 0 BDADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(F)F ZINC000671719639 487706598 /nfs/dbraw/zinc/70/65/98/487706598.db2.gz PLGBTUILHGAZFL-NXEZZACHSA-N 1 2 234.290 1.047 20 0 BDADLO Cc1cncc(C[NH2+]Cc2ccon2)c1 ZINC000228687502 487709147 /nfs/dbraw/zinc/70/91/47/487709147.db2.gz QLERSFNXUNRZKT-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000457824490 487709390 /nfs/dbraw/zinc/70/93/90/487709390.db2.gz ZJSDNRHZVLLXSO-VIFPVBQESA-N 1 2 221.304 1.473 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CC12CCC2)Cn1cc[nH+]c1 ZINC000675333110 487710594 /nfs/dbraw/zinc/71/05/94/487710594.db2.gz HKEJRXJQFTVJSW-NWDGAFQWSA-N 1 2 247.342 1.826 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1CCCO1 ZINC000136027261 487716924 /nfs/dbraw/zinc/71/69/24/487716924.db2.gz OLDYAMAHQMGYCS-MVIFTORASA-N 1 2 249.314 1.211 20 0 BDADLO O=C1CCC[C@H](CNc2cc[nH+]c(C3CC3)n2)N1 ZINC000683939000 487719270 /nfs/dbraw/zinc/71/92/70/487719270.db2.gz YMYDVVTWJXHSCM-SNVBAGLBSA-N 1 2 246.314 1.435 20 0 BDADLO Cc1nc(NC2C[C@@H](C)O[C@H](C)C2)nc(N)[nH+]1 ZINC000631187993 487719981 /nfs/dbraw/zinc/71/99/81/487719981.db2.gz DJPGIEXTGLZEGN-RNFRBKRXSA-N 1 2 237.307 1.130 20 0 BDADLO Cc1nc(N)nc(NC2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000631187993 487719982 /nfs/dbraw/zinc/71/99/82/487719982.db2.gz DJPGIEXTGLZEGN-RNFRBKRXSA-N 1 2 237.307 1.130 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CC(C)(C)C1 ZINC000458193361 487721909 /nfs/dbraw/zinc/72/19/09/487721909.db2.gz UZMXGWDLFPRKGA-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CC(C)(C)C1 ZINC000458193361 487721912 /nfs/dbraw/zinc/72/19/12/487721912.db2.gz UZMXGWDLFPRKGA-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000669597373 487723143 /nfs/dbraw/zinc/72/31/43/487723143.db2.gz VMTKHIPINNTGNB-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ccnn1CC1CC1 ZINC000668422144 487725264 /nfs/dbraw/zinc/72/52/64/487725264.db2.gz RJEFCYFJSLHEDB-UHFFFAOYSA-N 1 2 245.330 1.648 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ccnn1CC1CC1 ZINC000668422144 487725269 /nfs/dbraw/zinc/72/52/69/487725269.db2.gz RJEFCYFJSLHEDB-UHFFFAOYSA-N 1 2 245.330 1.648 20 0 BDADLO c1csc(CNc2nc[nH+]c3c2OCCN3)n1 ZINC000665692512 487732278 /nfs/dbraw/zinc/73/22/78/487732278.db2.gz PCAQYDVCHLWNSV-UHFFFAOYSA-N 1 2 249.299 1.350 20 0 BDADLO c1csc(CNc2[nH+]cnc3c2OCCN3)n1 ZINC000665692512 487732282 /nfs/dbraw/zinc/73/22/82/487732282.db2.gz PCAQYDVCHLWNSV-UHFFFAOYSA-N 1 2 249.299 1.350 20 0 BDADLO O=C(C1=CCCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000675450190 487733065 /nfs/dbraw/zinc/73/30/65/487733065.db2.gz FFPOAIYKTFFGKU-UHFFFAOYSA-N 1 2 244.294 1.782 20 0 BDADLO C[C@@H]1CCC[C@@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665698731 487733238 /nfs/dbraw/zinc/73/32/38/487733238.db2.gz RXEMSAXBZCEUJS-BDAKNGLRSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@@H]1CCC[C@@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665698731 487733240 /nfs/dbraw/zinc/73/32/40/487733240.db2.gz RXEMSAXBZCEUJS-BDAKNGLRSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@@H]1C[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665697915 487733643 /nfs/dbraw/zinc/73/36/43/487733643.db2.gz KWLOEMQYHPFFRN-RNFRBKRXSA-N 1 2 206.249 1.101 20 0 BDADLO C[C@@H]1C[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665697915 487733648 /nfs/dbraw/zinc/73/36/48/487733648.db2.gz KWLOEMQYHPFFRN-RNFRBKRXSA-N 1 2 206.249 1.101 20 0 BDADLO OC[C@@H](CC1CC1)Nc1cc(NC2CC2)[nH+]cn1 ZINC000665708676 487736325 /nfs/dbraw/zinc/73/63/25/487736325.db2.gz BJGUOUCAZZJAJO-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO OC[C@@H](CC1CC1)Nc1cc(NC2CC2)nc[nH+]1 ZINC000665708676 487736331 /nfs/dbraw/zinc/73/63/31/487736331.db2.gz BJGUOUCAZZJAJO-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@H]1CC[C@H](C)N1c1nc[nH+]c2c1OCCN2 ZINC000665706244 487736568 /nfs/dbraw/zinc/73/65/68/487736568.db2.gz YIJVWKYKLXELOY-IUCAKERBSA-N 1 2 234.303 1.658 20 0 BDADLO C[C@H]1CC[C@H](C)N1c1[nH+]cnc2c1OCCN2 ZINC000665706244 487736574 /nfs/dbraw/zinc/73/65/74/487736574.db2.gz YIJVWKYKLXELOY-IUCAKERBSA-N 1 2 234.303 1.658 20 0 BDADLO C[C@@H]1CCCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665712213 487737230 /nfs/dbraw/zinc/73/72/30/487737230.db2.gz USCHULBQKJBVQE-SNVBAGLBSA-N 1 2 248.330 1.907 20 0 BDADLO C[C@@H]1CCCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665712213 487737231 /nfs/dbraw/zinc/73/72/31/487737231.db2.gz USCHULBQKJBVQE-SNVBAGLBSA-N 1 2 248.330 1.907 20 0 BDADLO Cc1nc(N2CCn3ncnc3C2)c(C)c(C)[nH+]1 ZINC000681152879 487738268 /nfs/dbraw/zinc/73/82/68/487738268.db2.gz OXBJMZTZZPEMTG-UHFFFAOYSA-N 1 2 244.302 1.014 20 0 BDADLO CC[C@@H]1C[C@@]2(CCO1)NC(=O)C[N@@H+]2CC(C)C ZINC000666169002 487743530 /nfs/dbraw/zinc/74/35/30/487743530.db2.gz LOMNAKRMZVTHFB-YPMHNXCESA-N 1 2 240.347 1.360 20 0 BDADLO CC[C@@H]1C[C@@]2(CCO1)NC(=O)C[N@H+]2CC(C)C ZINC000666169002 487743532 /nfs/dbraw/zinc/74/35/32/487743532.db2.gz LOMNAKRMZVTHFB-YPMHNXCESA-N 1 2 240.347 1.360 20 0 BDADLO C[C@H]1CC(C)(C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665750741 487758986 /nfs/dbraw/zinc/75/89/86/487758986.db2.gz QXKFYMKFLPBPLK-VIFPVBQESA-N 1 2 248.330 1.906 20 0 BDADLO C[C@H]1CC(C)(C)CN1c1[nH+]cnc2c1OCCN2 ZINC000665750741 487758990 /nfs/dbraw/zinc/75/89/90/487758990.db2.gz QXKFYMKFLPBPLK-VIFPVBQESA-N 1 2 248.330 1.906 20 0 BDADLO CC[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000058517919 487762407 /nfs/dbraw/zinc/76/24/07/487762407.db2.gz JETPTQDOZVIYRW-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000668923469 487765766 /nfs/dbraw/zinc/76/57/66/487765766.db2.gz ATMLSVVBTWZKCD-IJLUTSLNSA-N 1 2 245.326 1.749 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668923620 487766353 /nfs/dbraw/zinc/76/63/53/487766353.db2.gz CSNLVBUJYIXHFC-GHMZBOCLSA-N 1 2 245.326 1.740 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668923620 487766360 /nfs/dbraw/zinc/76/63/60/487766360.db2.gz CSNLVBUJYIXHFC-GHMZBOCLSA-N 1 2 245.326 1.740 20 0 BDADLO CCC1(C(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000364688776 487774775 /nfs/dbraw/zinc/77/47/75/487774775.db2.gz BTDXEDLIDUJARO-UHFFFAOYSA-N 1 2 233.315 1.724 20 0 BDADLO CCC(C)(C)CC(=O)NCCc1c[nH+]cn1C ZINC000681343993 487780762 /nfs/dbraw/zinc/78/07/62/487780762.db2.gz DIQHTDLQSOQWFM-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)C1CCCC1 ZINC000681344173 487781235 /nfs/dbraw/zinc/78/12/35/487781235.db2.gz JOQNZPXNQADWFL-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)c1ccn(C)c1 ZINC000681356139 487782550 /nfs/dbraw/zinc/78/25/50/487782550.db2.gz LDXSTCYMDGSHHE-UHFFFAOYSA-N 1 2 244.298 1.160 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)CC1CC1 ZINC000681357893 487784024 /nfs/dbraw/zinc/78/40/24/487784024.db2.gz JVRHIEXPRUPPLT-UHFFFAOYSA-N 1 2 219.288 1.308 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cncs1 ZINC000678265925 487784209 /nfs/dbraw/zinc/78/42/09/487784209.db2.gz DQDQGERVSTXMDC-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cncs1 ZINC000678265925 487784216 /nfs/dbraw/zinc/78/42/16/487784216.db2.gz DQDQGERVSTXMDC-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668462416 487785083 /nfs/dbraw/zinc/78/50/83/487785083.db2.gz CQQHRBKGBATBSQ-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668462416 487785088 /nfs/dbraw/zinc/78/50/88/487785088.db2.gz CQQHRBKGBATBSQ-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464610 487788952 /nfs/dbraw/zinc/78/89/52/487788952.db2.gz GYSDHDFXZYHWJM-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464610 487788956 /nfs/dbraw/zinc/78/89/56/487788956.db2.gz GYSDHDFXZYHWJM-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@](C)(C2CC2)C1 ZINC000668464610 487788959 /nfs/dbraw/zinc/78/89/59/487788959.db2.gz GYSDHDFXZYHWJM-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C1CC1 ZINC000672854382 487793922 /nfs/dbraw/zinc/79/39/22/487793922.db2.gz AKNZZDXOPLRNLF-LLVKDONJSA-N 1 2 233.315 1.743 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]2C[C@H]21 ZINC000672134175 487797981 /nfs/dbraw/zinc/79/79/81/487797981.db2.gz XMPCYSFXEKATHO-CMPLNLGQSA-N 1 2 233.315 1.364 20 0 BDADLO CCc1noc(C[N@H+]2CC=C(COC)CC2)n1 ZINC000681471895 487800687 /nfs/dbraw/zinc/80/06/87/487800687.db2.gz MMMSFKMQSMHXKT-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO CCc1noc(C[N@@H+]2CC=C(COC)CC2)n1 ZINC000681471895 487800691 /nfs/dbraw/zinc/80/06/91/487800691.db2.gz MMMSFKMQSMHXKT-UHFFFAOYSA-N 1 2 237.303 1.411 20 0 BDADLO COCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC000681471898 487800727 /nfs/dbraw/zinc/80/07/27/487800727.db2.gz MOJSNZJISBSZHM-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO COCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC000681471898 487800731 /nfs/dbraw/zinc/80/07/31/487800731.db2.gz MOJSNZJISBSZHM-VIFPVBQESA-N 1 2 237.303 1.718 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)Cc1cn[nH]c1 ZINC000681025269 487801056 /nfs/dbraw/zinc/80/10/56/487801056.db2.gz NJEYQNNWSRJFRR-SECBINFHSA-N 1 2 217.276 1.393 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)Cc1cn[nH]c1 ZINC000681025269 487801061 /nfs/dbraw/zinc/80/10/61/487801061.db2.gz NJEYQNNWSRJFRR-SECBINFHSA-N 1 2 217.276 1.393 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000251839028 487801839 /nfs/dbraw/zinc/80/18/39/487801839.db2.gz QHELZYSZQMFVRR-BXKDBHETSA-N 1 2 249.314 1.166 20 0 BDADLO CC/C(C)=C(\C)C(=O)NC1=[NH+]CCS1 ZINC000779786468 585763209 /nfs/dbraw/zinc/76/32/09/585763209.db2.gz ZGRRCVKINRLKGY-BQYQJAHWSA-N 1 2 212.318 1.952 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)CC1=CCCOC1 ZINC000661654454 487805453 /nfs/dbraw/zinc/80/54/53/487805453.db2.gz YZFFETSMTHLLBE-SNVBAGLBSA-N 1 2 236.319 1.155 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)CC1=CCCOC1 ZINC000661654454 487805459 /nfs/dbraw/zinc/80/54/59/487805459.db2.gz YZFFETSMTHLLBE-SNVBAGLBSA-N 1 2 236.319 1.155 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C)sn1 ZINC000676053605 487806717 /nfs/dbraw/zinc/80/67/17/487806717.db2.gz XANLITOYICNYES-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)sn1 ZINC000676053605 487806722 /nfs/dbraw/zinc/80/67/22/487806722.db2.gz XANLITOYICNYES-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccon1 ZINC000666450732 487812570 /nfs/dbraw/zinc/81/25/70/487812570.db2.gz FXEWRZABYRSQOC-JTQLQIEISA-N 1 2 248.286 1.009 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000666490761 487820679 /nfs/dbraw/zinc/82/06/79/487820679.db2.gz XYEOEPBOSHUUJD-QWRGUYRKSA-N 1 2 231.299 1.686 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2COC(C)(C)C2)cc[nH+]1 ZINC000666492694 487820447 /nfs/dbraw/zinc/82/04/47/487820447.db2.gz SKGRIBLWTKWAPU-NSHDSACASA-N 1 2 249.314 1.501 20 0 BDADLO CC1=C(C)CN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000557835273 322943188 /nfs/dbraw/zinc/94/31/88/322943188.db2.gz FHRSPGGDTKXTHN-UHFFFAOYSA-N 1 2 233.315 1.531 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](n3cncn3)C2)oc1C ZINC000681605749 487824220 /nfs/dbraw/zinc/82/42/20/487824220.db2.gz FUWGNUWXKPCHQX-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](n3cncn3)C2)oc1C ZINC000681605749 487824221 /nfs/dbraw/zinc/82/42/21/487824221.db2.gz FUWGNUWXKPCHQX-LLVKDONJSA-N 1 2 247.302 1.330 20 0 BDADLO CNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000054375055 487826933 /nfs/dbraw/zinc/82/69/33/487826933.db2.gz CJVFADNNJDESNA-UHFFFAOYSA-N 1 2 232.287 1.274 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)[C@@H]2CC2(C)C)S1 ZINC000819777393 586992848 /nfs/dbraw/zinc/99/28/48/586992848.db2.gz RQFLTILFLMFOBR-RQJHMYQMSA-N 1 2 212.318 1.640 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829287555 587491363 /nfs/dbraw/zinc/49/13/63/587491363.db2.gz VLQADHRZSOTIRY-GXTWCOJYSA-N 1 2 233.764 1.947 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829287555 587491365 /nfs/dbraw/zinc/49/13/65/587491365.db2.gz VLQADHRZSOTIRY-GXTWCOJYSA-N 1 2 233.764 1.947 20 0 BDADLO C[C@@]1(F)CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000830212207 587541266 /nfs/dbraw/zinc/54/12/66/587541266.db2.gz LYYUCNYCLBTGFA-PSASIEDQSA-N 1 2 201.241 1.126 20 0 BDADLO CCC(CC)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493400295 528754720 /nfs/dbraw/zinc/75/47/20/528754720.db2.gz KUQSCCJUXNYNQI-AATRIKPKSA-N 1 2 221.304 1.975 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851882504 588639720 /nfs/dbraw/zinc/63/97/20/588639720.db2.gz ZAAYSRSBUMPSIN-LURJTMIESA-N 1 2 203.192 1.157 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851882504 588639721 /nfs/dbraw/zinc/63/97/21/588639721.db2.gz ZAAYSRSBUMPSIN-LURJTMIESA-N 1 2 203.192 1.157 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)s1 ZINC000681706858 487844170 /nfs/dbraw/zinc/84/41/70/487844170.db2.gz MXRQMZCDTQJNHR-DTWKUNHWSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)s1 ZINC000681706858 487844175 /nfs/dbraw/zinc/84/41/75/487844175.db2.gz MXRQMZCDTQJNHR-DTWKUNHWSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1cc(N[C@@H]2CCCC[C@H]2C(N)=O)nc[nH+]1 ZINC000676412865 487848571 /nfs/dbraw/zinc/84/85/71/487848571.db2.gz CRMUTUDMHARONV-GHMZBOCLSA-N 1 2 248.330 1.495 20 0 BDADLO C[C@@H](NC(=O)Nc1ccnn1C)c1[nH+]ccn1C ZINC000666676406 487853836 /nfs/dbraw/zinc/85/38/36/487853836.db2.gz USBHUXSTVNYQQH-MRVPVSSYSA-N 1 2 248.290 1.036 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000558557585 322951943 /nfs/dbraw/zinc/95/19/43/322951943.db2.gz GKVPHDBZROUYKX-VHSXEESVSA-N 1 2 221.304 1.220 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCOCC(C)C)C1CC1 ZINC000558607541 322952237 /nfs/dbraw/zinc/95/22/37/322952237.db2.gz AKLIXORBVQBREH-ZDUSSCGKSA-N 1 2 243.347 1.590 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CC[C@H](F)C1 ZINC000930602839 639817601 /nfs/dbraw/zinc/81/76/01/639817601.db2.gz DZDJHTPBAMZFFX-QRJSTWQJSA-N 1 2 201.241 1.150 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CC[C@H](F)C1 ZINC000930602839 639817602 /nfs/dbraw/zinc/81/76/02/639817602.db2.gz DZDJHTPBAMZFFX-QRJSTWQJSA-N 1 2 201.241 1.150 20 0 BDADLO CC[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000666682806 487856976 /nfs/dbraw/zinc/85/69/76/487856976.db2.gz VEOKUBFCEXLEHI-GFCCVEGCSA-N 1 2 248.330 1.597 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCCOC[C@H]2C)[nH+]1 ZINC000676491907 487857225 /nfs/dbraw/zinc/85/72/25/487857225.db2.gz BSSMQSYYQHZZGQ-SECBINFHSA-N 1 2 246.314 1.882 20 0 BDADLO CCc1csc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000564638166 322954791 /nfs/dbraw/zinc/95/47/91/322954791.db2.gz ZFWWRARUBGWMKU-UHFFFAOYSA-N 1 2 236.300 1.541 20 0 BDADLO COCc1csc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000668186387 487869203 /nfs/dbraw/zinc/86/92/03/487869203.db2.gz HVBJBAVALGYPQZ-NWDGAFQWSA-N 1 2 239.340 1.868 20 0 BDADLO COCc1csc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000668186387 487869207 /nfs/dbraw/zinc/86/92/07/487869207.db2.gz HVBJBAVALGYPQZ-NWDGAFQWSA-N 1 2 239.340 1.868 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C)c[nH+]1 ZINC000676587783 487877983 /nfs/dbraw/zinc/87/79/83/487877983.db2.gz GKGRQBMRFJGVAW-GMSGAONNSA-N 1 2 204.273 1.715 20 0 BDADLO C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cn1cc[nH+]c1 ZINC000669018405 487881319 /nfs/dbraw/zinc/88/13/19/487881319.db2.gz LOVWBISLFAXKDA-NDBYEHHHSA-N 1 2 247.342 1.682 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccc(O)cc2)o1 ZINC000668521012 487886593 /nfs/dbraw/zinc/88/65/93/487886593.db2.gz CJSLABFDWDUXEG-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccc(O)cc2)o1 ZINC000668521012 487886597 /nfs/dbraw/zinc/88/65/97/487886597.db2.gz CJSLABFDWDUXEG-UHFFFAOYSA-N 1 2 233.271 1.716 20 0 BDADLO CC[C@H](NC(=O)c1cocn1)c1[nH]cc[nH+]1 ZINC000682041471 487888120 /nfs/dbraw/zinc/88/81/20/487888120.db2.gz RGMBWYLMSRZCIQ-ZETCQYMHSA-N 1 2 220.232 1.279 20 0 BDADLO CC[C@H](NC(=O)c1cnco1)c1[nH]cc[nH+]1 ZINC000682040163 487888339 /nfs/dbraw/zinc/88/83/39/487888339.db2.gz FGRUKLBCDRXFJI-ZETCQYMHSA-N 1 2 220.232 1.279 20 0 BDADLO Cn1nnnc1C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671247037 487892586 /nfs/dbraw/zinc/89/25/86/487892586.db2.gz WCDOVPPCWNQBOA-UHFFFAOYSA-N 1 2 245.330 1.577 20 0 BDADLO Cn1nnnc1C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671247037 487892588 /nfs/dbraw/zinc/89/25/88/487892588.db2.gz WCDOVPPCWNQBOA-UHFFFAOYSA-N 1 2 245.330 1.577 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CC2(CO)CC2)n1 ZINC000682091645 487908197 /nfs/dbraw/zinc/90/81/97/487908197.db2.gz YOUGOGGUMURLQP-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CC2(CO)CC2)n1 ZINC000682091645 487908200 /nfs/dbraw/zinc/90/82/00/487908200.db2.gz YOUGOGGUMURLQP-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO CN(Cc1ccsc1)C(=O)Cn1cc[nH+]c1 ZINC000671117251 487912252 /nfs/dbraw/zinc/91/22/52/487912252.db2.gz CYLJCCUASYTGKU-UHFFFAOYSA-N 1 2 235.312 1.603 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1F ZINC000684473810 487919487 /nfs/dbraw/zinc/91/94/87/487919487.db2.gz VGSGHMTZACIDEK-MWLCHTKSSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1F ZINC000684473810 487919491 /nfs/dbraw/zinc/91/94/91/487919491.db2.gz VGSGHMTZACIDEK-MWLCHTKSSA-N 1 2 239.294 1.549 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(C2CCC2)CCC1 ZINC000653493579 487927983 /nfs/dbraw/zinc/92/79/83/487927983.db2.gz JXTCFPZBYOAHDP-UHFFFAOYSA-N 1 2 233.315 1.996 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(C2CCC2)CCC1 ZINC000653493579 487927988 /nfs/dbraw/zinc/92/79/88/487927988.db2.gz JXTCFPZBYOAHDP-UHFFFAOYSA-N 1 2 233.315 1.996 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000676842149 487936157 /nfs/dbraw/zinc/93/61/57/487936157.db2.gz OLRBZKBRCLSGJF-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C[C@H]1F ZINC000679360868 487940621 /nfs/dbraw/zinc/94/06/21/487940621.db2.gz WCAKZKQOMMFZDD-JOYOIKCWSA-N 1 2 227.279 1.952 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccc(CO)o2)C[C@H]1F ZINC000679360868 487940617 /nfs/dbraw/zinc/94/06/17/487940617.db2.gz WCAKZKQOMMFZDD-JOYOIKCWSA-N 1 2 227.279 1.952 20 0 BDADLO CCN(C(=O)Nc1cc[nH+]cc1C)C1COC1 ZINC000560412064 322987014 /nfs/dbraw/zinc/98/70/14/322987014.db2.gz IBGMTNUXPVCPLC-UHFFFAOYSA-N 1 2 235.287 1.065 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC12CCOCC2)c1[nH]cc[nH+]1 ZINC000560697827 322991581 /nfs/dbraw/zinc/99/15/81/322991581.db2.gz GQEHISIJKOLKPC-NXEZZACHSA-N 1 2 249.314 1.404 20 0 BDADLO CCCN(CC)C(=O)Cc1c[nH+]cn1C ZINC000562267079 323014029 /nfs/dbraw/zinc/01/40/29/323014029.db2.gz BMVSRSIKLRLTBB-UHFFFAOYSA-N 1 2 209.293 1.221 20 0 BDADLO C[C@@H]1CCC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000562265202 323014185 /nfs/dbraw/zinc/01/41/85/323014185.db2.gz KICQZRDXJOFBBD-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000562287459 323014957 /nfs/dbraw/zinc/01/49/57/323014957.db2.gz AUQSMPMLJHJSCB-WDEREUQCSA-N 1 2 249.314 1.997 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)C(=O)NC(C)C)[nH]c1C ZINC000564739052 323016117 /nfs/dbraw/zinc/01/61/17/323016117.db2.gz APAFSPVJDANHFH-SNVBAGLBSA-N 1 2 238.335 1.029 20 0 BDADLO Cc1[nH]c(CN[C@H](C)C(=O)NC(C)C)[nH+]c1C ZINC000564739052 323016118 /nfs/dbraw/zinc/01/61/18/323016118.db2.gz APAFSPVJDANHFH-SNVBAGLBSA-N 1 2 238.335 1.029 20 0 BDADLO O=C([C@H]1CCCOCC1)N1CC(n2cc[nH+]c2)C1 ZINC000562367885 323018383 /nfs/dbraw/zinc/01/83/83/323018383.db2.gz PSTNECCPXJLRIR-NSHDSACASA-N 1 2 249.314 1.083 20 0 BDADLO Cc1cocc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000528638103 323019322 /nfs/dbraw/zinc/01/93/22/323019322.db2.gz ZMQUASBWSTZBJA-JTQLQIEISA-N 1 2 247.298 1.851 20 0 BDADLO COC(=O)C1([NH2+]C[C@H]2CCCCO2)CCCC1 ZINC000133892017 323020666 /nfs/dbraw/zinc/02/06/66/323020666.db2.gz YBUBFSBPHSIXDC-LLVKDONJSA-N 1 2 241.331 1.631 20 0 BDADLO CCO[C@H]1C[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000562472450 323021249 /nfs/dbraw/zinc/02/12/49/323021249.db2.gz FZYSAOFFBUHHDI-NEPJUHHUSA-N 1 2 249.314 1.419 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCc3cn[nH]c3C2)s1 ZINC000562517471 323022579 /nfs/dbraw/zinc/02/25/79/323022579.db2.gz MXVWRSMDDCNUHA-JTQLQIEISA-N 1 2 248.355 1.822 20 0 BDADLO COc1cc[nH+]cc1Cn1cnc(C2CC2)n1 ZINC000562824086 323031826 /nfs/dbraw/zinc/03/18/26/323031826.db2.gz YKQVZNQZXIJGNG-UHFFFAOYSA-N 1 2 230.271 1.607 20 0 BDADLO Cn1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000562857768 323032349 /nfs/dbraw/zinc/03/23/49/323032349.db2.gz XLFVVNDNYCISGN-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000562857768 323032350 /nfs/dbraw/zinc/03/23/50/323032350.db2.gz XLFVVNDNYCISGN-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO CCN1C[C@H](C)[N@H+](Cc2ncccc2O)C[C@@H]1C ZINC000562900959 323033197 /nfs/dbraw/zinc/03/31/97/323033197.db2.gz AOQHXPYICBPSLE-RYUDHWBXSA-N 1 2 249.358 1.702 20 0 BDADLO CCN1C[C@H](C)[N@@H+](Cc2ncccc2O)C[C@@H]1C ZINC000562900959 323033198 /nfs/dbraw/zinc/03/31/98/323033198.db2.gz AOQHXPYICBPSLE-RYUDHWBXSA-N 1 2 249.358 1.702 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC12CC2 ZINC000569960967 323045781 /nfs/dbraw/zinc/04/57/81/323045781.db2.gz UYGBFGQIJGTXGS-QMMMGPOBSA-N 1 2 215.260 1.328 20 0 BDADLO CCC[C@H](C)[C@@H](CO)Nc1cc(C)[nH+]cn1 ZINC000570049128 323048098 /nfs/dbraw/zinc/04/80/98/323048098.db2.gz BUNLCADHFUBBCC-GXSJLCMTSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1nnsc1CN(C)Cc1[nH+]ccn1C ZINC000570098219 323049724 /nfs/dbraw/zinc/04/97/24/323049724.db2.gz PEMACZJWHHYRFT-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC1(C)C)c1c[nH]c[nH+]1 ZINC000570144341 323050959 /nfs/dbraw/zinc/05/09/59/323050959.db2.gz RRGLPAVCFRDTOJ-QMMMGPOBSA-N 1 2 221.304 1.602 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000570304721 323055803 /nfs/dbraw/zinc/05/58/03/323055803.db2.gz COTDXRNDMUWRIA-WDEREUQCSA-N 1 2 237.347 1.904 20 0 BDADLO CC1=C(C)C[N@H+](Cc2nncn2C)CC1 ZINC000570498742 323061140 /nfs/dbraw/zinc/06/11/40/323061140.db2.gz SAALVQVQOHYSSG-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2nncn2C)CC1 ZINC000570498742 323061141 /nfs/dbraw/zinc/06/11/41/323061141.db2.gz SAALVQVQOHYSSG-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H]1C ZINC000570863827 323072895 /nfs/dbraw/zinc/07/28/95/323072895.db2.gz KVDXWEXLBVTCJD-FOGDFJRCSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@H]1C ZINC000570863827 323072896 /nfs/dbraw/zinc/07/28/96/323072896.db2.gz KVDXWEXLBVTCJD-FOGDFJRCSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1cc(NCCO[C@@H]2CCCCO2)nc[nH+]1 ZINC000570895268 323073549 /nfs/dbraw/zinc/07/35/49/323073549.db2.gz WQOSIQFDGMMAJV-GFCCVEGCSA-N 1 2 237.303 1.162 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)nc1 ZINC000159108440 323074947 /nfs/dbraw/zinc/07/49/47/323074947.db2.gz XAOCFVMEANVNHZ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2(C)C)nc1 ZINC000159108440 323074948 /nfs/dbraw/zinc/07/49/48/323074948.db2.gz XAOCFVMEANVNHZ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO C[N@H+](CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000047915518 323076477 /nfs/dbraw/zinc/07/64/77/323076477.db2.gz BGJFYXLIYJUGOL-UHFFFAOYSA-N 1 2 239.340 1.555 20 0 BDADLO C[N@@H+](CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000047915518 323076478 /nfs/dbraw/zinc/07/64/78/323076478.db2.gz BGJFYXLIYJUGOL-UHFFFAOYSA-N 1 2 239.340 1.555 20 0 BDADLO CN(CC1CC1)c1nc(N)c2ccccc2[nH+]1 ZINC000536538523 323076988 /nfs/dbraw/zinc/07/69/88/323076988.db2.gz KMSIUORIUTVKQO-UHFFFAOYSA-N 1 2 228.299 1.889 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228091280 323079435 /nfs/dbraw/zinc/07/94/35/323079435.db2.gz HOFJWYKZTDIWHX-HBNTYKKESA-N 1 2 234.299 1.297 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2C=CCCC2)c1 ZINC000563039631 323081226 /nfs/dbraw/zinc/08/12/26/323081226.db2.gz CIANAOFLQMHFOT-LLVKDONJSA-N 1 2 248.330 1.371 20 0 BDADLO CC1(C)CN(C[N@@H+]2CCC[C@@H]2CF)C(=O)O1 ZINC000497154295 323081480 /nfs/dbraw/zinc/08/14/80/323081480.db2.gz XHDZJDWNYTVXIZ-SECBINFHSA-N 1 2 230.283 1.609 20 0 BDADLO CC1(C)CN(C[N@H+]2CCC[C@@H]2CF)C(=O)O1 ZINC000497154295 323081481 /nfs/dbraw/zinc/08/14/81/323081481.db2.gz XHDZJDWNYTVXIZ-SECBINFHSA-N 1 2 230.283 1.609 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000122512725 323098109 /nfs/dbraw/zinc/09/81/09/323098109.db2.gz GDBWLTTZUUOWSR-BDAKNGLRSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000122512725 323098110 /nfs/dbraw/zinc/09/81/10/323098110.db2.gz GDBWLTTZUUOWSR-BDAKNGLRSA-N 1 2 217.334 1.375 20 0 BDADLO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000563273233 323107335 /nfs/dbraw/zinc/10/73/35/323107335.db2.gz MWWRYACULCPVHI-GFCCVEGCSA-N 1 2 236.290 1.719 20 0 BDADLO NC(=O)c1cccc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000563273233 323107336 /nfs/dbraw/zinc/10/73/36/323107336.db2.gz MWWRYACULCPVHI-GFCCVEGCSA-N 1 2 236.290 1.719 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000531790608 323113464 /nfs/dbraw/zinc/11/34/64/323113464.db2.gz HEOYFVUEAVLOOF-NEPJUHHUSA-N 1 2 249.314 1.224 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1noc(C)n1 ZINC000531829266 323115077 /nfs/dbraw/zinc/11/50/77/323115077.db2.gz QUNYTKDIWSWTDZ-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1noc(C)n1 ZINC000531829266 323115078 /nfs/dbraw/zinc/11/50/78/323115078.db2.gz QUNYTKDIWSWTDZ-UHFFFAOYSA-N 1 2 213.281 1.235 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CCCO2)c(C)c[nH+]1 ZINC000534299314 323115861 /nfs/dbraw/zinc/11/58/61/323115861.db2.gz VLXMUTYYVJHGOK-CYBMUJFWSA-N 1 2 234.299 1.628 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CCn3nncc3C2)c1 ZINC000563367803 323121576 /nfs/dbraw/zinc/12/15/76/323121576.db2.gz QZJXTKZMNSJQGA-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CCn3nncc3C2)c1 ZINC000563367803 323121577 /nfs/dbraw/zinc/12/15/77/323121577.db2.gz QZJXTKZMNSJQGA-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO COCC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000563403090 323123102 /nfs/dbraw/zinc/12/31/02/323123102.db2.gz HKUWYCURKPXKEH-UHFFFAOYSA-N 1 2 242.363 1.117 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@@]2(CCOC2)C1 ZINC000563427890 323126194 /nfs/dbraw/zinc/12/61/94/323126194.db2.gz UQSZHPJVACINKB-ZDUSSCGKSA-N 1 2 249.314 1.089 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CCO)c2ccccn21 ZINC000563640360 323133169 /nfs/dbraw/zinc/13/31/69/323133169.db2.gz CQNVTULMSDBCHK-UHFFFAOYSA-N 1 2 247.342 1.882 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CCO)c2ccccn21 ZINC000563640360 323133170 /nfs/dbraw/zinc/13/31/70/323133170.db2.gz CQNVTULMSDBCHK-UHFFFAOYSA-N 1 2 247.342 1.882 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)no1 ZINC000571091718 323135227 /nfs/dbraw/zinc/13/52/27/323135227.db2.gz DHWFCAIWHNDJRT-ASXGKARISA-N 1 2 237.303 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)no1 ZINC000571091718 323135228 /nfs/dbraw/zinc/13/52/28/323135228.db2.gz DHWFCAIWHNDJRT-ASXGKARISA-N 1 2 237.303 1.142 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](c2nnc[nH]2)C1 ZINC000571581810 323148549 /nfs/dbraw/zinc/14/85/49/323148549.db2.gz RVDZXZSXLJIJLT-JTQLQIEISA-N 1 2 244.302 1.205 20 0 BDADLO CCCCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000571634933 323150054 /nfs/dbraw/zinc/15/00/54/323150054.db2.gz SWYASCHZOWFNHA-VIFPVBQESA-N 1 2 227.333 1.401 20 0 BDADLO CCCOCC(=O)Nc1cc(C)[nH+]cc1C ZINC000535036415 323164313 /nfs/dbraw/zinc/16/43/13/323164313.db2.gz SNTSQVIGNMFCDA-UHFFFAOYSA-N 1 2 222.288 1.485 20 0 BDADLO Cc1cc(NC(=O)NCC(C)C)c(C)c[nH+]1 ZINC000535060875 323164870 /nfs/dbraw/zinc/16/48/70/323164870.db2.gz LEEZZOWXHCTHHY-UHFFFAOYSA-N 1 2 221.304 1.898 20 0 BDADLO CC[C@H](CCO)Nc1nc(C)[nH+]cc1C ZINC000563732790 323176693 /nfs/dbraw/zinc/17/66/93/323176693.db2.gz MYJYANYIPSNBAR-SNVBAGLBSA-N 1 2 209.293 1.666 20 0 BDADLO Cc1scnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000529542806 323183399 /nfs/dbraw/zinc/18/33/99/323183399.db2.gz COLUNQFQWQLXAB-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO COC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535748334 323190283 /nfs/dbraw/zinc/19/02/83/323190283.db2.gz CSSHEZIRMBBMEX-UHFFFAOYSA-N 1 2 222.288 1.484 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)c1nccs1)S(C)(=O)=O ZINC000309023803 323194393 /nfs/dbraw/zinc/19/43/93/323194393.db2.gz YUIFQQOYGJZODO-YUMQZZPRSA-N 1 2 248.373 1.227 20 0 BDADLO CCO[C@H](CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574938 323198026 /nfs/dbraw/zinc/19/80/26/323198026.db2.gz DDTCQDNVGYWKJP-GFCCVEGCSA-N 1 2 236.315 1.874 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@@H]2COCCN2)cs1 ZINC000530220609 323218714 /nfs/dbraw/zinc/21/87/14/323218714.db2.gz BSMQEPLKIPGYRP-WCBMZHEXSA-N 1 2 241.360 1.091 20 0 BDADLO Clc1cnc(N2CC(n3cc[nH+]c3)C2)nc1 ZINC000532341910 323252680 /nfs/dbraw/zinc/25/26/80/323252680.db2.gz ISQYZESDNVFLSS-UHFFFAOYSA-N 1 2 235.678 1.388 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532732329 323291407 /nfs/dbraw/zinc/29/14/07/323291407.db2.gz WAPQOLRZOSBKRI-SNVBAGLBSA-N 1 2 249.310 1.702 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000532732329 323291409 /nfs/dbraw/zinc/29/14/09/323291409.db2.gz WAPQOLRZOSBKRI-SNVBAGLBSA-N 1 2 249.310 1.702 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccccn1 ZINC000418011049 323312893 /nfs/dbraw/zinc/31/28/93/323312893.db2.gz UJTIMNVUFBYXNU-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nnsc1Cl ZINC000309114901 323319241 /nfs/dbraw/zinc/31/92/41/323319241.db2.gz LBUPDKQZCQYBBA-MUWHJKNJSA-N 1 2 247.751 1.849 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H]1CCCOC1 ZINC000564009596 323349755 /nfs/dbraw/zinc/34/97/55/323349755.db2.gz KRJKAXIBCLEWQA-LBPRGKRZSA-N 1 2 235.331 1.956 20 0 BDADLO Nc1ccc(CNC(=O)Nc2nccs2)c[nH+]1 ZINC000193687069 323367073 /nfs/dbraw/zinc/36/70/73/323367073.db2.gz BKROFBYHQRLUIG-UHFFFAOYSA-N 1 2 249.299 1.442 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000530404353 323384503 /nfs/dbraw/zinc/38/45/03/323384503.db2.gz LNQKCRNIXXCJLS-WOPDTQHZSA-N 1 2 249.358 1.856 20 0 BDADLO c1c[nH+]c([C@H]2CCCCN2c2cccnn2)[nH]1 ZINC000548090178 323441294 /nfs/dbraw/zinc/44/12/94/323441294.db2.gz GDIQZHUIHBQDBK-SNVBAGLBSA-N 1 2 229.287 1.931 20 0 BDADLO CC(=O)[C@H](NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C)C(C)C ZINC000548097180 323442400 /nfs/dbraw/zinc/44/24/00/323442400.db2.gz ANZGSUYGLQHSCJ-OUJBWJOFSA-N 1 2 240.347 1.199 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1=CCCCC1 ZINC000571733628 323470453 /nfs/dbraw/zinc/47/04/53/323470453.db2.gz YUHXALSNISEQSZ-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000527911852 323720401 /nfs/dbraw/zinc/72/04/01/323720401.db2.gz CMTKVPWPRVRSJA-VIFPVBQESA-N 1 2 235.291 1.445 20 0 BDADLO c1cc(NCCc2cncnc2)nc(C2CC2)[nH+]1 ZINC000528198582 323777901 /nfs/dbraw/zinc/77/79/01/323777901.db2.gz QRWGYHJEDPCXSM-UHFFFAOYSA-N 1 2 241.298 1.221 20 0 BDADLO CO[C@@H](C[NH2+][C@@H](C)c1ncn(C)n1)C1CCC1 ZINC000660374748 487961144 /nfs/dbraw/zinc/96/11/44/487961144.db2.gz XGKLEPHRIGHJPW-ONGXEEELSA-N 1 2 238.335 1.281 20 0 BDADLO C[C@@H](NC(=O)N1CC(C)(C)C1)c1[nH+]ccn1C ZINC000667250713 487961842 /nfs/dbraw/zinc/96/18/42/487961842.db2.gz UJTYKMKTNINPIZ-SECBINFHSA-N 1 2 236.319 1.533 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000122512483 324047432 /nfs/dbraw/zinc/04/74/32/324047432.db2.gz GDBWLTTZUUOWSR-RKDXNWHRSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000122512483 324047434 /nfs/dbraw/zinc/04/74/34/324047434.db2.gz GDBWLTTZUUOWSR-RKDXNWHRSA-N 1 2 217.334 1.375 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000123084542 324080927 /nfs/dbraw/zinc/08/09/27/324080927.db2.gz BVEGFPCBIIWIBF-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC(=O)c1ccccc1OCc1noc(C[NH3+])n1 ZINC000514789940 324112653 /nfs/dbraw/zinc/11/26/53/324112653.db2.gz UMSDQLLGUUGJCV-UHFFFAOYSA-N 1 2 247.254 1.310 20 0 BDADLO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccn[nH]2)cc1 ZINC000188992212 324184474 /nfs/dbraw/zinc/18/44/74/324184474.db2.gz JDTNXBZKEOLUOE-CQSZACIVSA-N 1 2 245.326 1.411 20 0 BDADLO O=C([C@@H]1CCCC12CC2)N1CCc2[nH]c[nH+]c2C1 ZINC000529401740 324287043 /nfs/dbraw/zinc/28/70/43/324287043.db2.gz FETUVTUBHSOGKD-JTQLQIEISA-N 1 2 245.326 1.875 20 0 BDADLO O=C([C@@H]1CCCC12CC2)N1CCc2[nH+]c[nH]c2C1 ZINC000529401740 324287046 /nfs/dbraw/zinc/28/70/46/324287046.db2.gz FETUVTUBHSOGKD-JTQLQIEISA-N 1 2 245.326 1.875 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H]1C1CC1 ZINC000529514315 324320330 /nfs/dbraw/zinc/32/03/30/324320330.db2.gz BNVWZNMAHXXLHT-XXILOJSOSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H]1C1CC1 ZINC000529514315 324320333 /nfs/dbraw/zinc/32/03/33/324320333.db2.gz BNVWZNMAHXXLHT-XXILOJSOSA-N 1 2 233.315 1.660 20 0 BDADLO COC1(C)C[NH+](Cc2ccnc(C)c2)C1 ZINC000529568531 324345570 /nfs/dbraw/zinc/34/55/70/324345570.db2.gz ATIBECHAYJIRMJ-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000529707952 324380815 /nfs/dbraw/zinc/38/08/15/324380815.db2.gz WAHUGNBURDLNFM-GFCCVEGCSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1ncccc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000529881912 324428326 /nfs/dbraw/zinc/42/83/26/324428326.db2.gz PFDLLTAPUPOAQM-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000677086351 487964683 /nfs/dbraw/zinc/96/46/83/487964683.db2.gz VMMSFNVWWNGUBG-GFCCVEGCSA-N 1 2 246.310 1.717 20 0 BDADLO C[C@H](CC(=O)Nc1cncnc1)n1cc[nH+]c1 ZINC000564216634 324830856 /nfs/dbraw/zinc/83/08/56/324830856.db2.gz XBNIRKQTWZLRAK-SECBINFHSA-N 1 2 231.259 1.263 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682450775 487966193 /nfs/dbraw/zinc/96/61/93/487966193.db2.gz KCTZZYQQGXZEHI-VXGBXAGGSA-N 1 2 249.358 1.948 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000130513853 325060606 /nfs/dbraw/zinc/06/06/06/325060606.db2.gz WZSNMOPHYSTQKB-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000130513853 325060609 /nfs/dbraw/zinc/06/06/09/325060609.db2.gz WZSNMOPHYSTQKB-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO O=c1cc(C[NH2+]C2(C3CC3)CC2)nc2cc[nH]n21 ZINC000543453091 325089664 /nfs/dbraw/zinc/08/96/64/325089664.db2.gz FEJHDEIJJBPGFA-UHFFFAOYSA-N 1 2 244.298 1.055 20 0 BDADLO C[N@H+](Cc1ccc(CO)o1)Cc1ccccn1 ZINC000130830102 325092256 /nfs/dbraw/zinc/09/22/56/325092256.db2.gz KRMGGLCMMCWKRT-UHFFFAOYSA-N 1 2 232.283 1.799 20 0 BDADLO C[N@@H+](Cc1ccc(CO)o1)Cc1ccccn1 ZINC000130830102 325092259 /nfs/dbraw/zinc/09/22/59/325092259.db2.gz KRMGGLCMMCWKRT-UHFFFAOYSA-N 1 2 232.283 1.799 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CCOC2)c(C)c[nH+]1 ZINC000544411937 325142438 /nfs/dbraw/zinc/14/24/38/325142438.db2.gz KODCNEXICRLAEK-ZDUSSCGKSA-N 1 2 234.299 1.485 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000072802033 325176483 /nfs/dbraw/zinc/17/64/83/325176483.db2.gz WZXQRCMBGXOCCE-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000072802033 325176486 /nfs/dbraw/zinc/17/64/86/325176486.db2.gz WZXQRCMBGXOCCE-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO CC(C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682454140 487967180 /nfs/dbraw/zinc/96/71/80/487967180.db2.gz HPXINMTVXBPZMG-LBPRGKRZSA-N 1 2 249.358 1.950 20 0 BDADLO CN1CC[N@H+](Cc2cccnc2)C(C)(C)C1=O ZINC000132357448 325212260 /nfs/dbraw/zinc/21/22/60/325212260.db2.gz LDWLMPNLRRUHSD-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CN1CC[N@@H+](Cc2cccnc2)C(C)(C)C1=O ZINC000132357448 325212263 /nfs/dbraw/zinc/21/22/63/325212263.db2.gz LDWLMPNLRRUHSD-UHFFFAOYSA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)CCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 ZINC000132365798 325213289 /nfs/dbraw/zinc/21/32/89/325213289.db2.gz LOYRAXOVSDQNBZ-UHFFFAOYSA-N 1 2 237.303 1.421 20 0 BDADLO Cc1cc(-c2nc(Cc3c[nH+]cn3C)no2)n[nH]1 ZINC000546554819 325287161 /nfs/dbraw/zinc/28/71/61/325287161.db2.gz LHGRZBIBCJJDNU-UHFFFAOYSA-N 1 2 244.258 1.092 20 0 BDADLO COC(=O)C1([NH2+]CCOCC2CC2)CCCC1 ZINC000133881597 325326664 /nfs/dbraw/zinc/32/66/64/325326664.db2.gz MYSDCVFHMUVSTC-UHFFFAOYSA-N 1 2 241.331 1.488 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(CC2CC2)n1 ZINC000547261480 325334158 /nfs/dbraw/zinc/33/41/58/325334158.db2.gz YHPMYAYVGYJAAO-UHFFFAOYSA-N 1 2 218.260 1.346 20 0 BDADLO CCCCOCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000134011368 325337543 /nfs/dbraw/zinc/33/75/43/325337543.db2.gz PQXBLSMGWPELMY-UHFFFAOYSA-N 1 2 243.347 1.879 20 0 BDADLO CCn1cc(C[N@H+](C)[C@H](C)c2cnccn2)cn1 ZINC000547350713 325345688 /nfs/dbraw/zinc/34/56/88/325345688.db2.gz NAHUDCACILAHHB-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@H](C)c2cnccn2)cn1 ZINC000547350713 325345690 /nfs/dbraw/zinc/34/56/90/325345690.db2.gz NAHUDCACILAHHB-LLVKDONJSA-N 1 2 245.330 1.886 20 0 BDADLO CC(C)(C)CNC(=O)NCCn1cc[nH+]c1 ZINC000076464356 325345929 /nfs/dbraw/zinc/34/59/29/325345929.db2.gz UOAGOZRIZUZZCH-UHFFFAOYSA-N 1 2 224.308 1.228 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1ccoc1C ZINC000134839089 325378699 /nfs/dbraw/zinc/37/86/99/325378699.db2.gz YVEOCVRLNAOLFU-UHFFFAOYSA-N 1 2 248.286 1.605 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1ccoc1C ZINC000134839089 325378701 /nfs/dbraw/zinc/37/87/01/325378701.db2.gz YVEOCVRLNAOLFU-UHFFFAOYSA-N 1 2 248.286 1.605 20 0 BDADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(=O)CC1 ZINC000547754587 325391984 /nfs/dbraw/zinc/39/19/84/325391984.db2.gz YFMKDVHRPZZNKA-SNVBAGLBSA-N 1 2 247.298 1.021 20 0 BDADLO CCCC[C@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000135181667 325399515 /nfs/dbraw/zinc/39/95/15/325399515.db2.gz ZVUWGVBRNNNQEZ-RYUDHWBXSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@H](c1ccco1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000547927109 325412303 /nfs/dbraw/zinc/41/23/03/325412303.db2.gz ZXCOGQDXPNYXHN-SNVBAGLBSA-N 1 2 247.298 1.775 20 0 BDADLO CCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000548008886 325420563 /nfs/dbraw/zinc/42/05/63/325420563.db2.gz QKGOVIKAYFUWBT-QMMMGPOBSA-N 1 2 210.281 1.283 20 0 BDADLO c1cn(C[C@@H]2CN(c3ccccc3)CCO2)c[nH+]1 ZINC000653572381 487968061 /nfs/dbraw/zinc/96/80/61/487968061.db2.gz BGWXCQACRQZJDP-CQSZACIVSA-N 1 2 243.310 1.789 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548191960 325440213 /nfs/dbraw/zinc/44/02/13/325440213.db2.gz SEFHIDWJZRCMOG-GHMZBOCLSA-N 1 2 235.331 1.467 20 0 BDADLO COc1ccccc1NC(=O)Cc1c[nH+]cn1C ZINC000548191022 325440219 /nfs/dbraw/zinc/44/02/19/325440219.db2.gz GFPMQXJMWIWTOZ-UHFFFAOYSA-N 1 2 245.282 1.610 20 0 BDADLO Cc1cc(NC(=O)c2ccncn2)c(C)c[nH+]1 ZINC000548287357 325444899 /nfs/dbraw/zinc/44/48/99/325444899.db2.gz MIOFUJVMVNQPDW-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1[C@H](C)C[C@H]1C ZINC000548424606 325455578 /nfs/dbraw/zinc/45/55/78/325455578.db2.gz AYEPPCOIYMYSFC-PRJMDXOYSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@H](N(C)C(=O)Cc1c[nH+]cn1C)C1(C)CC1 ZINC000548586146 325467381 /nfs/dbraw/zinc/46/73/81/325467381.db2.gz HULCHWQGQQWKAO-JTQLQIEISA-N 1 2 235.331 1.610 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(O)cc1O ZINC000080526235 325481614 /nfs/dbraw/zinc/48/16/14/325481614.db2.gz VUHPWMVKNUCVAZ-UHFFFAOYSA-N 1 2 247.254 1.093 20 0 BDADLO CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552229461 325612033 /nfs/dbraw/zinc/61/20/33/325612033.db2.gz GGTVKLZRUSGCNX-HAQNSBGRSA-N 1 2 233.315 1.941 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@H]1CO ZINC000249062851 325635231 /nfs/dbraw/zinc/63/52/31/325635231.db2.gz IEYYDBJMGVBZLR-KOLCDFICSA-N 1 2 233.315 1.561 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H]1CCCOC1 ZINC000554295386 325712379 /nfs/dbraw/zinc/71/23/79/325712379.db2.gz JMEHCEWSLKDHNE-LLVKDONJSA-N 1 2 249.314 1.455 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000554512969 325723200 /nfs/dbraw/zinc/72/32/00/325723200.db2.gz DUIINCBVOQJQRQ-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1occc1CN(C)C(=O)Cc1c[nH+]cn1C ZINC000554518285 325724337 /nfs/dbraw/zinc/72/43/37/325724337.db2.gz YHIKSLOWLQBJGI-UHFFFAOYSA-N 1 2 247.298 1.523 20 0 BDADLO CC[C@@H](C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653577909 487969514 /nfs/dbraw/zinc/96/95/14/487969514.db2.gz MCUSFTGKCPZSCX-SECBINFHSA-N 1 2 225.340 1.658 20 0 BDADLO CC[C@@H](C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653577909 487969518 /nfs/dbraw/zinc/96/95/18/487969518.db2.gz MCUSFTGKCPZSCX-SECBINFHSA-N 1 2 225.340 1.658 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2ccoc2)n1 ZINC000556249286 325787631 /nfs/dbraw/zinc/78/76/31/325787631.db2.gz XRFGGSCDIPMPOI-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1C[C@@H]1C(F)F)n1cc[nH+]c1 ZINC000565088402 325855679 /nfs/dbraw/zinc/85/56/79/325855679.db2.gz CTIUGRMWFPATEI-CIUDSAMLSA-N 1 2 243.257 1.604 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682498247 487971014 /nfs/dbraw/zinc/97/10/14/487971014.db2.gz CXRNHQXIZHWCDF-WDEREUQCSA-N 1 2 247.342 1.608 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncccn2)CC2(CCC2)O1 ZINC000566184245 326007957 /nfs/dbraw/zinc/00/79/57/326007957.db2.gz JGHVLQOYVOOMLM-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncccn2)CC2(CCC2)O1 ZINC000566184245 326007959 /nfs/dbraw/zinc/00/79/59/326007959.db2.gz JGHVLQOYVOOMLM-NSHDSACASA-N 1 2 233.315 1.620 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566291224 326029840 /nfs/dbraw/zinc/02/98/40/326029840.db2.gz GKNUECKRBTULLU-CKYFFXLPSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@H](CC(=O)NC1(C)CCC1)n1cc[nH+]c1 ZINC000566333024 326034354 /nfs/dbraw/zinc/03/43/54/326034354.db2.gz YPNABWLRFHVAIQ-SNVBAGLBSA-N 1 2 221.304 1.893 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC(=O)OC(C)C ZINC000566478167 326051053 /nfs/dbraw/zinc/05/10/53/326051053.db2.gz HSYAEQGKCUPRKH-UHFFFAOYSA-N 1 2 237.303 1.269 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000566625041 326069381 /nfs/dbraw/zinc/06/93/81/326069381.db2.gz HCCKNXHSAJYYEN-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000566625041 326069383 /nfs/dbraw/zinc/06/93/83/326069383.db2.gz HCCKNXHSAJYYEN-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C(C)(C)C ZINC000566867337 326090691 /nfs/dbraw/zinc/09/06/91/326090691.db2.gz VFTYHWIAYFTGGD-VIFPVBQESA-N 1 2 223.320 1.845 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C(C)(C)C ZINC000566867337 326090695 /nfs/dbraw/zinc/09/06/95/326090695.db2.gz VFTYHWIAYFTGGD-VIFPVBQESA-N 1 2 223.320 1.845 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C(C)(C)C ZINC000566867336 326090865 /nfs/dbraw/zinc/09/08/65/326090865.db2.gz VFTYHWIAYFTGGD-SECBINFHSA-N 1 2 223.320 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C(C)(C)C ZINC000566867336 326090866 /nfs/dbraw/zinc/09/08/66/326090866.db2.gz VFTYHWIAYFTGGD-SECBINFHSA-N 1 2 223.320 1.845 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682504653 487971586 /nfs/dbraw/zinc/97/15/86/487971586.db2.gz IZHZLFNHDIILLB-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH+]1CCOCC1 ZINC000154492141 326146183 /nfs/dbraw/zinc/14/61/83/326146183.db2.gz NDBCHVFLSMLVGW-UHFFFAOYSA-N 1 2 223.320 1.539 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCc2n[nH]cc2C1 ZINC000567249926 326150786 /nfs/dbraw/zinc/15/07/86/326150786.db2.gz ZGNHBDCAUSGWIZ-LLVKDONJSA-N 1 2 243.314 1.786 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnn(C)c1 ZINC000154837499 326167107 /nfs/dbraw/zinc/16/71/07/326167107.db2.gz YJMHZLKRHMTJHP-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnn(C)c1 ZINC000154837499 326167109 /nfs/dbraw/zinc/16/71/09/326167109.db2.gz YJMHZLKRHMTJHP-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO CC(=O)CSCC[N@@H+]1CCO[C@@H](C)C1 ZINC000567449996 326194845 /nfs/dbraw/zinc/19/48/45/326194845.db2.gz YFHDGGNCCLFNLF-JTQLQIEISA-N 1 2 217.334 1.029 20 0 BDADLO CC(=O)CSCC[N@H+]1CCO[C@@H](C)C1 ZINC000567449996 326194849 /nfs/dbraw/zinc/19/48/49/326194849.db2.gz YFHDGGNCCLFNLF-JTQLQIEISA-N 1 2 217.334 1.029 20 0 BDADLO CCn1c[nH+]cc1CNCC(C)(F)F ZINC000567572592 326220263 /nfs/dbraw/zinc/22/02/63/326220263.db2.gz IMAOAZGNZGRJDV-UHFFFAOYSA-N 1 2 203.236 1.648 20 0 BDADLO C[C@@H](O)[C@@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000567695733 326246741 /nfs/dbraw/zinc/24/67/41/326246741.db2.gz BAZFXSXQYMBTMY-GHMZBOCLSA-N 1 2 246.314 1.126 20 0 BDADLO CC(C)c1nccc(N(C)Cc2[nH+]ccn2C)n1 ZINC000156884292 326247235 /nfs/dbraw/zinc/24/72/35/326247235.db2.gz GPCXVWDMFNUVBX-UHFFFAOYSA-N 1 2 245.330 1.970 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1CC2(CCC2)C1 ZINC000567736810 326253236 /nfs/dbraw/zinc/25/32/36/326253236.db2.gz CMRYNMRMNVXWSW-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO CCC[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568107183 326309157 /nfs/dbraw/zinc/30/91/57/326309157.db2.gz FJHZJIKHCJDTKD-LBPRGKRZSA-N 1 2 223.320 1.478 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@]12CCOC2)c1[nH]cc[nH+]1 ZINC000568107319 326309193 /nfs/dbraw/zinc/30/91/93/326309193.db2.gz JLHVYIYDONFFDY-LNLATYFQSA-N 1 2 235.287 1.014 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC000158404390 326319293 /nfs/dbraw/zinc/31/92/93/326319293.db2.gz FSCPMJHPLHULLN-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC000158404390 326319295 /nfs/dbraw/zinc/31/92/95/326319295.db2.gz FSCPMJHPLHULLN-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568185054 326322699 /nfs/dbraw/zinc/32/26/99/326322699.db2.gz RMPZXSBXYCSXPA-RKDXNWHRSA-N 1 2 209.293 1.503 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568185054 326322700 /nfs/dbraw/zinc/32/27/00/326322700.db2.gz RMPZXSBXYCSXPA-RKDXNWHRSA-N 1 2 209.293 1.503 20 0 BDADLO Cc1cc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)no1 ZINC000568189613 326323415 /nfs/dbraw/zinc/32/34/15/326323415.db2.gz OCRRQXFPRBPGFE-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1cc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)no1 ZINC000568189613 326323418 /nfs/dbraw/zinc/32/34/18/326323418.db2.gz OCRRQXFPRBPGFE-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO CCn1ccnc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000568226501 326329217 /nfs/dbraw/zinc/32/92/17/326329217.db2.gz BSKITRTUCPPESX-SNVBAGLBSA-N 1 2 236.319 1.182 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccncc1 ZINC000568228766 326329900 /nfs/dbraw/zinc/32/99/00/326329900.db2.gz JOIFAZBEIJGPRW-UHFFFAOYSA-N 1 2 230.271 1.228 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CC[C@@H](C)O1 ZINC000568249244 326334686 /nfs/dbraw/zinc/33/46/86/326334686.db2.gz LNXHHDBPWYYKPI-MWLCHTKSSA-N 1 2 221.304 1.495 20 0 BDADLO Cc1ncsc1C[NH2+]Cc1ncccn1 ZINC000568275169 326339815 /nfs/dbraw/zinc/33/98/15/326339815.db2.gz MBDIDFUUOJOCJP-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000568366583 326350143 /nfs/dbraw/zinc/35/01/43/326350143.db2.gz GLZQNKSIFHWOLG-QWHCGFSZSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@]1(C(=O)Nc2ccc3nn[nH]c3c2)CCC[NH2+]1 ZINC000568394920 326354136 /nfs/dbraw/zinc/35/41/36/326354136.db2.gz BPHNIHUZEJRCOT-GFCCVEGCSA-N 1 2 245.286 1.039 20 0 BDADLO C[C@H](O)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568519285 326362133 /nfs/dbraw/zinc/36/21/33/326362133.db2.gz DFZCDHRFHVNLFE-DCAQKATOSA-N 1 2 239.319 1.110 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000568651716 326371278 /nfs/dbraw/zinc/37/12/78/326371278.db2.gz HKHRABQPQNTVQA-BBBLOLIVSA-N 1 2 221.304 1.879 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000568816850 326377898 /nfs/dbraw/zinc/37/78/98/326377898.db2.gz UZKYHWZPPGXADX-OPRDCNLKSA-N 1 2 237.303 1.402 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)no1 ZINC000569018119 326386973 /nfs/dbraw/zinc/38/69/73/326386973.db2.gz VOFFRKGYYGRHJL-BDAKNGLRSA-N 1 2 239.319 1.442 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](CCO)C1 ZINC000569020043 326387323 /nfs/dbraw/zinc/38/73/23/326387323.db2.gz SSNSONPMEIINJG-LLVKDONJSA-N 1 2 221.304 1.302 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cnccn1 ZINC000569315619 326399767 /nfs/dbraw/zinc/39/97/67/326399767.db2.gz QTXBDJZTPWAOSH-ZDUSSCGKSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cnccn1 ZINC000569315619 326399768 /nfs/dbraw/zinc/39/97/68/326399768.db2.gz QTXBDJZTPWAOSH-ZDUSSCGKSA-N 1 2 235.331 1.724 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682511130 487973097 /nfs/dbraw/zinc/97/30/97/487973097.db2.gz DKFBFOMVRIHLMJ-SNVBAGLBSA-N 1 2 245.326 1.504 20 0 BDADLO FC(F)COCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000682532317 487978126 /nfs/dbraw/zinc/97/81/26/487978126.db2.gz RWCZWTBJDIZCCX-UHFFFAOYSA-N 1 2 231.246 1.050 20 0 BDADLO FC(F)COCC[N@H+]1CCc2c[nH]nc2C1 ZINC000682532317 487978134 /nfs/dbraw/zinc/97/81/34/487978134.db2.gz RWCZWTBJDIZCCX-UHFFFAOYSA-N 1 2 231.246 1.050 20 0 BDADLO COC(C)(C)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544730 487983189 /nfs/dbraw/zinc/98/31/89/487983189.db2.gz UHZAEAXBIKIOJP-VIFPVBQESA-N 1 2 237.290 1.503 20 0 BDADLO COC(C)(C)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682544730 487983196 /nfs/dbraw/zinc/98/31/96/487983196.db2.gz UHZAEAXBIKIOJP-VIFPVBQESA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000665690232 487988263 /nfs/dbraw/zinc/98/82/63/487988263.db2.gz MWFISUQQNFRAPR-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO CCC[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000665690232 487988268 /nfs/dbraw/zinc/98/82/68/487988268.db2.gz MWFISUQQNFRAPR-VHSXEESVSA-N 1 2 238.335 1.870 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220516931 487988909 /nfs/dbraw/zinc/98/89/09/487988909.db2.gz JBEOFNQMVFYIIZ-QWRGUYRKSA-N 1 2 247.342 1.916 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220516931 487988912 /nfs/dbraw/zinc/98/89/12/487988912.db2.gz JBEOFNQMVFYIIZ-QWRGUYRKSA-N 1 2 247.342 1.916 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000668603137 487996119 /nfs/dbraw/zinc/99/61/19/487996119.db2.gz CIRQCEFDMRXVNY-VHSXEESVSA-N 1 2 237.303 1.231 20 0 BDADLO CC(C)[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665705960 487996531 /nfs/dbraw/zinc/99/65/31/487996531.db2.gz XYWIPJISJHKXQZ-SNVBAGLBSA-N 1 2 248.330 1.763 20 0 BDADLO CC(C)[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665705960 487996534 /nfs/dbraw/zinc/99/65/34/487996534.db2.gz XYWIPJISJHKXQZ-SNVBAGLBSA-N 1 2 248.330 1.763 20 0 BDADLO CO[C@H](C(=O)N1CCn2cc[nH+]c2C1)C1CCC1 ZINC000668605185 487998500 /nfs/dbraw/zinc/99/85/00/487998500.db2.gz FUDRBBQCEDGEEF-LBPRGKRZSA-N 1 2 249.314 1.040 20 0 BDADLO COC(=O)[C@H]1C[N@H+](CC(C)=O)Cc2ccccc21 ZINC000602916955 488002924 /nfs/dbraw/zinc/00/29/24/488002924.db2.gz JBQKUEKAFVIWFJ-ZDUSSCGKSA-N 1 2 247.294 1.348 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](CC(C)=O)Cc2ccccc21 ZINC000602916955 488002927 /nfs/dbraw/zinc/00/29/27/488002927.db2.gz JBQKUEKAFVIWFJ-ZDUSSCGKSA-N 1 2 247.294 1.348 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1ccc(C)o1 ZINC000134878389 488004161 /nfs/dbraw/zinc/00/41/61/488004161.db2.gz NFFCTQFUXLBEHA-UHFFFAOYSA-N 1 2 234.259 1.581 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1ccc(C)o1 ZINC000134878389 488004164 /nfs/dbraw/zinc/00/41/64/488004164.db2.gz NFFCTQFUXLBEHA-UHFFFAOYSA-N 1 2 234.259 1.581 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC1CC1 ZINC000134910637 488005263 /nfs/dbraw/zinc/00/52/63/488005263.db2.gz AAMZZDKVBIEYPQ-UHFFFAOYSA-N 1 2 208.265 1.279 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC1CC1 ZINC000134910637 488005266 /nfs/dbraw/zinc/00/52/66/488005266.db2.gz AAMZZDKVBIEYPQ-UHFFFAOYSA-N 1 2 208.265 1.279 20 0 BDADLO CC(C)c1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000074448780 488006947 /nfs/dbraw/zinc/00/69/47/488006947.db2.gz FYHVIEGWQUGBHQ-UHFFFAOYSA-N 1 2 232.327 1.653 20 0 BDADLO CC(C)c1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000074448780 488006952 /nfs/dbraw/zinc/00/69/52/488006952.db2.gz FYHVIEGWQUGBHQ-UHFFFAOYSA-N 1 2 232.327 1.653 20 0 BDADLO CCN1OC[C@@H]([N@H+](C)Cc2ccccc2)C1=O ZINC000682675562 488010892 /nfs/dbraw/zinc/01/08/92/488010892.db2.gz JIWLZNBWRPTXMR-GFCCVEGCSA-N 1 2 234.299 1.281 20 0 BDADLO CCN1OC[C@@H]([N@@H+](C)Cc2ccccc2)C1=O ZINC000682675562 488010899 /nfs/dbraw/zinc/01/08/99/488010899.db2.gz JIWLZNBWRPTXMR-GFCCVEGCSA-N 1 2 234.299 1.281 20 0 BDADLO NC(=O)CCSCCc1[nH]c2ccccc2[nH+]1 ZINC000603363277 488016030 /nfs/dbraw/zinc/01/60/30/488016030.db2.gz VHMFIGSVKAEKBH-UHFFFAOYSA-N 1 2 249.339 1.714 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCCCO1 ZINC000682687734 488017419 /nfs/dbraw/zinc/01/74/19/488017419.db2.gz POTCDWVYUGPAFS-LLVKDONJSA-N 1 2 249.314 1.390 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2n[nH]c3ccccc32)CO1 ZINC000647253357 488017607 /nfs/dbraw/zinc/01/76/07/488017607.db2.gz LLHAUYSCBFVZQT-VHSXEESVSA-N 1 2 231.299 1.830 20 0 BDADLO CC1=CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000677323541 488018148 /nfs/dbraw/zinc/01/81/48/488018148.db2.gz PZBKRQCXKCFCJK-UHFFFAOYSA-N 1 2 233.315 1.842 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]c3n2CCC3)CCO1 ZINC000667493850 488027088 /nfs/dbraw/zinc/02/70/88/488027088.db2.gz FQZVJTSSQXOUDB-LBPRGKRZSA-N 1 2 235.331 1.440 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H](O)C1CC1 ZINC000668637065 488034713 /nfs/dbraw/zinc/03/47/13/488034713.db2.gz KMLCSUXUSHOXIY-NSHDSACASA-N 1 2 231.255 1.044 20 0 BDADLO Cc1cc(NC(=O)C[C@@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000668635142 488034833 /nfs/dbraw/zinc/03/48/33/488034833.db2.gz IOUKHUNHHACTHZ-ZWNOBZJWSA-N 1 2 248.326 1.956 20 0 BDADLO Cc1nnc(CC(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000668636416 488034927 /nfs/dbraw/zinc/03/49/27/488034927.db2.gz UEZQHAVHGJOJBY-UHFFFAOYSA-N 1 2 248.311 1.153 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]c3n2CCC3)C[C@@H](C)O1 ZINC000667556652 488045492 /nfs/dbraw/zinc/04/54/92/488045492.db2.gz BXTKJELEOAKKPB-YPMHNXCESA-N 1 2 249.358 1.829 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCS[C@H](C)C1 ZINC000656119066 488050739 /nfs/dbraw/zinc/05/07/39/488050739.db2.gz RYVQIYVQZTXXCN-MRVPVSSYSA-N 1 2 239.344 1.735 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@H](OC)C1 ZINC000656118022 488051794 /nfs/dbraw/zinc/05/17/94/488051794.db2.gz GOXBDFQYRAYZQK-JTQLQIEISA-N 1 2 237.303 1.409 20 0 BDADLO Cc1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000677506321 488056406 /nfs/dbraw/zinc/05/64/06/488056406.db2.gz RXLYCAAEJQRRIO-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1cc(N(CCO)CC(C)(C)C)nc[nH+]1 ZINC000677508544 488059000 /nfs/dbraw/zinc/05/90/00/488059000.db2.gz QOPIUNWMRNHQID-UHFFFAOYSA-N 1 2 223.320 1.630 20 0 BDADLO CC[C@@H](C)CC(=O)Nc1cc[nH+]cc1N(C)C ZINC000682934197 488067732 /nfs/dbraw/zinc/06/77/32/488067732.db2.gz CKWUSHTWOCZEQD-SNVBAGLBSA-N 1 2 235.331 1.944 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnco1 ZINC000677541552 488069038 /nfs/dbraw/zinc/06/90/38/488069038.db2.gz IBTAKQRQOASWTP-UHFFFAOYSA-N 1 2 203.201 1.052 20 0 BDADLO c1[nH+]c2n(c1CN1CCOCC13CCC3)CCC2 ZINC000667652297 488074523 /nfs/dbraw/zinc/07/45/23/488074523.db2.gz YUEQSKSAUZUMEZ-UHFFFAOYSA-N 1 2 247.342 1.584 20 0 BDADLO Cc1cccc(NC(=O)Cn2cc[nH+]c2)c1O ZINC000677597331 488082471 /nfs/dbraw/zinc/08/24/71/488082471.db2.gz DCEBKVBNZWIPOM-UHFFFAOYSA-N 1 2 231.255 1.536 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)C(C)(C)CO1 ZINC000683008863 488089261 /nfs/dbraw/zinc/08/92/61/488089261.db2.gz DIFQLUYPFGAJSQ-UHFFFAOYSA-N 1 2 235.331 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)C(C)(C)CO1 ZINC000683008863 488089263 /nfs/dbraw/zinc/08/92/63/488089263.db2.gz DIFQLUYPFGAJSQ-UHFFFAOYSA-N 1 2 235.331 1.866 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1scnc1C1CC1 ZINC000677665432 488089842 /nfs/dbraw/zinc/08/98/42/488089842.db2.gz UZJWYTMGUPWWBX-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1scnc1C1CC1 ZINC000677665432 488089845 /nfs/dbraw/zinc/08/98/45/488089845.db2.gz UZJWYTMGUPWWBX-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO CN1C[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)CC1=O ZINC000674063739 488093282 /nfs/dbraw/zinc/09/32/82/488093282.db2.gz DURMHOXQOZFRBV-SECBINFHSA-N 1 2 248.330 1.417 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nncn2C)c1 ZINC000683030941 488100446 /nfs/dbraw/zinc/10/04/46/488100446.db2.gz GYJJDAMWXJLXPE-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nncn2C)c1 ZINC000683030941 488100453 /nfs/dbraw/zinc/10/04/53/488100453.db2.gz GYJJDAMWXJLXPE-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO O[C@H]1C[N@H+](CC2CCOCC2)CC(F)(F)C1 ZINC000682543128 488107493 /nfs/dbraw/zinc/10/74/93/488107493.db2.gz GDPIGHMGMLSPPN-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1C[N@@H+](CC2CCOCC2)CC(F)(F)C1 ZINC000682543128 488107495 /nfs/dbraw/zinc/10/74/95/488107495.db2.gz GDPIGHMGMLSPPN-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO CCNC(=O)CN(C)c1[nH+]c2ccccc2n1C ZINC000677807655 488127681 /nfs/dbraw/zinc/12/76/81/488127681.db2.gz MMPQWUWBXJJNRR-UHFFFAOYSA-N 1 2 246.314 1.146 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403631577 488130214 /nfs/dbraw/zinc/13/02/14/488130214.db2.gz NHMYKDGKGPWUIO-MXWKQRLJSA-N 1 2 233.302 1.982 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403631577 488130217 /nfs/dbraw/zinc/13/02/17/488130217.db2.gz NHMYKDGKGPWUIO-MXWKQRLJSA-N 1 2 233.302 1.982 20 0 BDADLO COC[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000234850640 488131694 /nfs/dbraw/zinc/13/16/94/488131694.db2.gz GTWPKERZIHQPAL-LBPRGKRZSA-N 1 2 236.315 1.437 20 0 BDADLO Cc1sccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668790093 487540150 /nfs/dbraw/zinc/54/01/50/487540150.db2.gz JJCDWCSIWXEUPQ-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1sccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668790093 487540156 /nfs/dbraw/zinc/54/01/56/487540156.db2.gz JJCDWCSIWXEUPQ-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@]1(C)CC=CCC1 ZINC000334700829 487541854 /nfs/dbraw/zinc/54/18/54/487541854.db2.gz FUXQKLJVYMEGFS-ZDUSSCGKSA-N 1 2 248.330 1.718 20 0 BDADLO CCc1noc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000674285696 487543840 /nfs/dbraw/zinc/54/38/40/487543840.db2.gz CPPKDHLWXCNKEP-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000674285696 487543846 /nfs/dbraw/zinc/54/38/46/487543846.db2.gz CPPKDHLWXCNKEP-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](CCO)C2)no1 ZINC000685563134 487545401 /nfs/dbraw/zinc/54/54/01/487545401.db2.gz ARIJRNWPSXOTDB-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](CCO)C2)no1 ZINC000685563134 487545407 /nfs/dbraw/zinc/54/54/07/487545407.db2.gz ARIJRNWPSXOTDB-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2ccccn2n1 ZINC000094601757 487547710 /nfs/dbraw/zinc/54/77/10/487547710.db2.gz IZBGZELVOPWTKI-JTQLQIEISA-N 1 2 242.286 1.426 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12CCO[C@@H](CC)C2 ZINC000666171206 487548001 /nfs/dbraw/zinc/54/80/01/487548001.db2.gz NRUQEALPGSEURI-WCQYABFASA-N 1 2 240.347 1.504 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12CCO[C@@H](CC)C2 ZINC000666171206 487548006 /nfs/dbraw/zinc/54/80/06/487548006.db2.gz NRUQEALPGSEURI-WCQYABFASA-N 1 2 240.347 1.504 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccon2)c1 ZINC000680255282 487553485 /nfs/dbraw/zinc/55/34/85/487553485.db2.gz KIAREWRNXRKUCN-UHFFFAOYSA-N 1 2 232.243 1.388 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cn[nH]c2)c1 ZINC000680259940 487554120 /nfs/dbraw/zinc/55/41/20/487554120.db2.gz MGGCRGMWXJJFBI-UHFFFAOYSA-N 1 2 231.259 1.123 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000408463492 487554363 /nfs/dbraw/zinc/55/43/63/487554363.db2.gz CSMBNTJWQRFIEP-IUCAKERBSA-N 1 2 224.308 1.142 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000408463492 487554368 /nfs/dbraw/zinc/55/43/68/487554368.db2.gz CSMBNTJWQRFIEP-IUCAKERBSA-N 1 2 224.308 1.142 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCOC[C@H]2C)s1 ZINC000680068914 487531033 /nfs/dbraw/zinc/53/10/33/487531033.db2.gz PVPYQHNHEJQKMH-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCCOC[C@H]2C)s1 ZINC000680068914 487531037 /nfs/dbraw/zinc/53/10/37/487531037.db2.gz PVPYQHNHEJQKMH-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)C(=O)OC ZINC000336697702 487555363 /nfs/dbraw/zinc/55/53/63/487555363.db2.gz UWKPBCUYGJVTNY-CIUDSAMLSA-N 1 2 217.334 1.422 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(CC)s1 ZINC000680076564 487533716 /nfs/dbraw/zinc/53/37/16/487533716.db2.gz HRENGKTUYYRCRA-UHFFFAOYSA-N 1 2 229.349 1.569 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(CC)s1 ZINC000680076564 487533724 /nfs/dbraw/zinc/53/37/24/487533724.db2.gz HRENGKTUYYRCRA-UHFFFAOYSA-N 1 2 229.349 1.569 20 0 BDADLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000685469575 487533577 /nfs/dbraw/zinc/53/35/77/487533577.db2.gz MXZRPGGIZBMMMP-QMMMGPOBSA-N 1 2 242.706 1.643 20 0 BDADLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(Cl)o1 ZINC000685469575 487533583 /nfs/dbraw/zinc/53/35/83/487533583.db2.gz MXZRPGGIZBMMMP-QMMMGPOBSA-N 1 2 242.706 1.643 20 0 BDADLO C[C@H]([NH2+]Cc1nnnn1C)c1ccsc1 ZINC000380357905 487471678 /nfs/dbraw/zinc/47/16/78/487471678.db2.gz XEVCUVIZLXXNGI-ZETCQYMHSA-N 1 2 223.305 1.122 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000679853171 487472588 /nfs/dbraw/zinc/47/25/88/487472588.db2.gz JEBLNOHHABPAGI-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000679853171 487472589 /nfs/dbraw/zinc/47/25/89/487472589.db2.gz JEBLNOHHABPAGI-JGVFFNPUSA-N 1 2 227.226 1.284 20 0 BDADLO Cc1c(C(=O)NCCc2c[nH+]cn2C)ccn1C ZINC000684979943 487481339 /nfs/dbraw/zinc/48/13/39/487481339.db2.gz NUMCPSYWPFTECD-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC13CCC3)CC2 ZINC000679893559 487481903 /nfs/dbraw/zinc/48/19/03/487481903.db2.gz QYDWABWYRQZPIC-NSHDSACASA-N 1 2 245.326 1.724 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cn[nH]c2)s1 ZINC000673927328 487482282 /nfs/dbraw/zinc/48/22/82/487482282.db2.gz UKOKAHYILUUTBI-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cn[nH]c2)s1 ZINC000673927328 487482285 /nfs/dbraw/zinc/48/22/85/487482285.db2.gz UKOKAHYILUUTBI-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)ccn1C ZINC000684967458 487476623 /nfs/dbraw/zinc/47/66/23/487476623.db2.gz MQBFGHPWYYUQPN-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(F)ccc1OC ZINC000679882462 487480362 /nfs/dbraw/zinc/48/03/62/487480362.db2.gz XOJQFEUJJBIRKB-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(F)ccc1OC ZINC000679882462 487480368 /nfs/dbraw/zinc/48/03/68/487480368.db2.gz XOJQFEUJJBIRKB-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO Cc1cc(NCc2cn[nH]n2)nc(C2CC2)[nH+]1 ZINC000673957992 487491074 /nfs/dbraw/zinc/49/10/74/487491074.db2.gz JRYBNFMGSVVDDA-UHFFFAOYSA-N 1 2 230.275 1.393 20 0 BDADLO Cc1cc(NCc2c[nH]nn2)nc(C2CC2)[nH+]1 ZINC000673957992 487491083 /nfs/dbraw/zinc/49/10/83/487491083.db2.gz JRYBNFMGSVVDDA-UHFFFAOYSA-N 1 2 230.275 1.393 20 0 BDADLO CC1(C)CC(NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000667314570 487492173 /nfs/dbraw/zinc/49/21/73/487492173.db2.gz XYAUKUOJHGXRIB-UHFFFAOYSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)N(C)Cc1[nH]cc[nH+]1 ZINC000677801843 487494885 /nfs/dbraw/zinc/49/48/85/487494885.db2.gz JUSSSSQMCBGYLE-MRVPVSSYSA-N 1 2 247.302 1.863 20 0 BDADLO O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000668760211 487494987 /nfs/dbraw/zinc/49/49/87/487494987.db2.gz YLEIXTQMRYIFGY-RTXFEEFZSA-N 1 2 245.326 1.703 20 0 BDADLO CC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000685262551 487506428 /nfs/dbraw/zinc/50/64/28/487506428.db2.gz ZGIIDNGTTUQYHK-NSHDSACASA-N 1 2 234.303 1.065 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC000674081109 487506148 /nfs/dbraw/zinc/50/61/48/487506148.db2.gz TZYBATZKJCFHQY-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000685426533 487521142 /nfs/dbraw/zinc/52/11/42/487521142.db2.gz XZNYMDWNGYBFMO-MWLCHTKSSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000685426533 487521146 /nfs/dbraw/zinc/52/11/46/487521146.db2.gz XZNYMDWNGYBFMO-MWLCHTKSSA-N 1 2 225.311 1.908 20 0 BDADLO O=C(CCC1CCC1)NCc1c[nH+]c[nH]1 ZINC000674136413 487525880 /nfs/dbraw/zinc/52/58/80/487525880.db2.gz MMVZHLIZWYVWMB-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO O=C(CCC1CCC1)NCc1c[nH]c[nH+]1 ZINC000674136413 487525888 /nfs/dbraw/zinc/52/58/88/487525888.db2.gz MMVZHLIZWYVWMB-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000680050636 487527382 /nfs/dbraw/zinc/52/73/82/487527382.db2.gz BBOPCKCXDMRPIG-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000680050636 487527383 /nfs/dbraw/zinc/52/73/83/487527383.db2.gz BBOPCKCXDMRPIG-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CC[C@@H](Cn1cncn1)Nc1ccc(OC)c[nH+]1 ZINC000685653242 487570755 /nfs/dbraw/zinc/57/07/55/487570755.db2.gz XBHPOGNMUOXTIS-JTQLQIEISA-N 1 2 247.302 1.572 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653811349 487584363 /nfs/dbraw/zinc/58/43/63/487584363.db2.gz FRNLFHYBBJSPJX-CYBMUJFWSA-N 1 2 249.358 1.954 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653811349 487584371 /nfs/dbraw/zinc/58/43/71/487584371.db2.gz FRNLFHYBBJSPJX-CYBMUJFWSA-N 1 2 249.358 1.954 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CCCOC2)s1 ZINC000671704436 487699119 /nfs/dbraw/zinc/69/91/19/487699119.db2.gz NHIOFGHXWIMTSJ-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CCCOC2)s1 ZINC000671704436 487699126 /nfs/dbraw/zinc/69/91/26/487699126.db2.gz NHIOFGHXWIMTSJ-VIFPVBQESA-N 1 2 241.360 1.711 20 0 BDADLO COc1ccc(NCc2ccc(CO)o2)[nH+]c1 ZINC000676201475 487821167 /nfs/dbraw/zinc/82/11/67/487821167.db2.gz VSDXLTJZOCGPDP-UHFFFAOYSA-N 1 2 234.255 1.788 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000676549027 487871241 /nfs/dbraw/zinc/87/12/41/487871241.db2.gz SUDAFIZVMHFABC-DTWKUNHWSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000676549027 487871243 /nfs/dbraw/zinc/87/12/43/487871243.db2.gz SUDAFIZVMHFABC-DTWKUNHWSA-N 1 2 237.290 1.095 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cc(C)ncn1 ZINC000677424901 488034369 /nfs/dbraw/zinc/03/43/69/488034369.db2.gz CIRFFHBFBDZXLW-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCn1cc[nH+]c1CNCc1cc(C)ncn1 ZINC000677424901 488034371 /nfs/dbraw/zinc/03/43/71/488034371.db2.gz CIRFFHBFBDZXLW-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO Cc1cnc(Nc2ccc(N(C)C)[nH+]c2)nc1 ZINC000677505272 488055529 /nfs/dbraw/zinc/05/55/29/488055529.db2.gz ZKHGZMVZKZVUFL-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO O=C(c1cnco1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000677526146 488065783 /nfs/dbraw/zinc/06/57/83/488065783.db2.gz FDICPIMEOUIUPA-SECBINFHSA-N 1 2 246.270 1.765 20 0 BDADLO NC(=O)c1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000683071300 488105265 /nfs/dbraw/zinc/10/52/65/488105265.db2.gz TZZIUECMRCDCTM-UHFFFAOYSA-N 1 2 245.257 1.354 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](C2CC2)C1 ZINC000677877007 488144251 /nfs/dbraw/zinc/14/42/51/488144251.db2.gz DMXWEUYKHDOZBX-CYBMUJFWSA-N 1 2 247.342 1.922 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000294429043 488150627 /nfs/dbraw/zinc/15/06/27/488150627.db2.gz ZRJZIUVHOWZMNT-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000294429043 488150630 /nfs/dbraw/zinc/15/06/30/488150630.db2.gz ZRJZIUVHOWZMNT-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO c1cn([C@@H]2CCCN(Cc3cocn3)C2)c[nH+]1 ZINC000683353051 488151615 /nfs/dbraw/zinc/15/16/15/488151615.db2.gz RXFILRJSCOMUJD-GFCCVEGCSA-N 1 2 232.287 1.708 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)C(=O)NCc1ccco1 ZINC000148837973 488151640 /nfs/dbraw/zinc/15/16/40/488151640.db2.gz KIUPXPIKKAPRQQ-VIFPVBQESA-N 1 2 249.270 1.062 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCN(C)C1=O ZINC000294716905 488158018 /nfs/dbraw/zinc/15/80/18/488158018.db2.gz UUKJVYOGLXCGNJ-SNVBAGLBSA-N 1 2 247.298 1.197 20 0 BDADLO OCCC[N@H+](Cc1ncc(C2CC2)o1)C1CC1 ZINC000677686501 488174826 /nfs/dbraw/zinc/17/48/26/488174826.db2.gz AAKVCMKVQNIGGR-UHFFFAOYSA-N 1 2 236.315 1.899 20 0 BDADLO OCCC[N@@H+](Cc1ncc(C2CC2)o1)C1CC1 ZINC000677686501 488174831 /nfs/dbraw/zinc/17/48/31/488174831.db2.gz AAKVCMKVQNIGGR-UHFFFAOYSA-N 1 2 236.315 1.899 20 0 BDADLO Cc1cc(CNC(=O)Nc2cc[nH+]c(C)c2)[nH]n1 ZINC000678095690 488197344 /nfs/dbraw/zinc/19/73/44/488197344.db2.gz INSKOANFBSVMTQ-UHFFFAOYSA-N 1 2 245.286 1.165 20 0 BDADLO Cc1cc(CNC(=O)Nc2cc[nH+]c(C)c2)n[nH]1 ZINC000678095690 488197348 /nfs/dbraw/zinc/19/73/48/488197348.db2.gz INSKOANFBSVMTQ-UHFFFAOYSA-N 1 2 245.286 1.165 20 0 BDADLO CC[C@H](NC(=O)c1nccs1)c1[nH]cc[nH+]1 ZINC000683572753 488199203 /nfs/dbraw/zinc/19/92/03/488199203.db2.gz XHWLEPOXXOHZEB-ZETCQYMHSA-N 1 2 236.300 1.747 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000683722960 488212380 /nfs/dbraw/zinc/21/23/80/488212380.db2.gz ZLKLSKGMWIANCN-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000683722960 488212384 /nfs/dbraw/zinc/21/23/84/488212384.db2.gz ZLKLSKGMWIANCN-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000683722960 488212388 /nfs/dbraw/zinc/21/23/88/488212388.db2.gz ZLKLSKGMWIANCN-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000683722960 488212390 /nfs/dbraw/zinc/21/23/90/488212390.db2.gz ZLKLSKGMWIANCN-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(CC)o1 ZINC000678193020 488215789 /nfs/dbraw/zinc/21/57/89/488215789.db2.gz RJLMSIYIUHQTIV-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(CC)o1 ZINC000678193020 488215791 /nfs/dbraw/zinc/21/57/91/488215791.db2.gz RJLMSIYIUHQTIV-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(CO)cc2)o1 ZINC000231651053 488219476 /nfs/dbraw/zinc/21/94/76/488219476.db2.gz LFZFIHCGPJJWCY-UHFFFAOYSA-N 1 2 232.283 1.765 20 0 BDADLO Cn1cc(C[NH2+]Cc2scnc2C2CC2)nn1 ZINC000683775093 488219462 /nfs/dbraw/zinc/21/94/62/488219462.db2.gz XKUCANPXRKQPEZ-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@@H](F)C1 ZINC000668213517 488227663 /nfs/dbraw/zinc/22/76/63/488227663.db2.gz CYPLFHVTEHMWMY-SNVBAGLBSA-N 1 2 223.295 1.841 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@H+]1CC[C@@H](F)C1 ZINC000668213517 488227666 /nfs/dbraw/zinc/22/76/66/488227666.db2.gz CYPLFHVTEHMWMY-SNVBAGLBSA-N 1 2 223.295 1.841 20 0 BDADLO O[C@H]1C[N@H+](C[C@@H]2CCSC2)CC(F)(F)C1 ZINC000683839568 488230557 /nfs/dbraw/zinc/23/05/57/488230557.db2.gz LGEDMTDULNTAKC-DTWKUNHWSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@H]1C[N@@H+](C[C@@H]2CCSC2)CC(F)(F)C1 ZINC000683839568 488230560 /nfs/dbraw/zinc/23/05/60/488230560.db2.gz LGEDMTDULNTAKC-DTWKUNHWSA-N 1 2 237.315 1.441 20 0 BDADLO COc1ccccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000678275875 488235894 /nfs/dbraw/zinc/23/58/94/488235894.db2.gz IPJINCVKOZVXKU-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000678275875 488235895 /nfs/dbraw/zinc/23/58/95/488235895.db2.gz IPJINCVKOZVXKU-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO CCCC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147829 488240683 /nfs/dbraw/zinc/24/06/83/488240683.db2.gz XDEDIJCARJSPDS-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccncc1 ZINC000672146427 488240695 /nfs/dbraw/zinc/24/06/95/488240695.db2.gz LTBVEKODCOPUTP-NSHDSACASA-N 1 2 242.282 1.023 20 0 BDADLO O=C(CC1CCCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148797 488240806 /nfs/dbraw/zinc/24/08/06/488240806.db2.gz XXUWXJPUIVSPSG-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)CC(C)(C)O1 ZINC000683899125 488241225 /nfs/dbraw/zinc/24/12/25/488241225.db2.gz XVPOPAFPOTYKKC-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)CC(C)(C)O1 ZINC000683899125 488241227 /nfs/dbraw/zinc/24/12/27/488241227.db2.gz XVPOPAFPOTYKKC-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672149227 488241914 /nfs/dbraw/zinc/24/19/14/488241914.db2.gz JHNCEABQSBSPKR-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154948 488242570 /nfs/dbraw/zinc/24/25/70/488242570.db2.gz VDMGTAQDVLTQEH-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155899 488242770 /nfs/dbraw/zinc/24/27/70/488242770.db2.gz DAUMVGQUTNPEDR-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672158412 488243128 /nfs/dbraw/zinc/24/31/28/488243128.db2.gz YMNGVHGPMYERCJ-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(C)(C)C1 ZINC000683922404 488245203 /nfs/dbraw/zinc/24/52/03/488245203.db2.gz YEYKHBKKBYGXBW-SNVBAGLBSA-N 1 2 236.319 1.323 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000678362093 488246703 /nfs/dbraw/zinc/24/67/03/488246703.db2.gz RDZOZLYICCVNPS-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000672344166 488252577 /nfs/dbraw/zinc/25/25/77/488252577.db2.gz UGXNGTKFKLCCPQ-GHMZBOCLSA-N 1 2 221.304 1.578 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC=CCC1 ZINC000683995916 488254193 /nfs/dbraw/zinc/25/41/93/488254193.db2.gz TXWKEHOBBHEERG-UHFFFAOYSA-N 1 2 206.293 1.621 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC=CCC1 ZINC000683995916 488254195 /nfs/dbraw/zinc/25/41/95/488254195.db2.gz TXWKEHOBBHEERG-UHFFFAOYSA-N 1 2 206.293 1.621 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000684020918 488255317 /nfs/dbraw/zinc/25/53/17/488255317.db2.gz NYYQBYKZXWDUJK-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000684020918 488255319 /nfs/dbraw/zinc/25/53/19/488255319.db2.gz NYYQBYKZXWDUJK-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO CCN(Cc1ccoc1)C(=O)Cc1c[nH+]cn1C ZINC000672839486 488267713 /nfs/dbraw/zinc/26/77/13/488267713.db2.gz GRRSKRRJOHBEJK-UHFFFAOYSA-N 1 2 247.298 1.604 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[C@H]1C)CC2 ZINC000673179950 488278250 /nfs/dbraw/zinc/27/82/50/488278250.db2.gz JGNKHDXUDAJNHD-KOLCDFICSA-N 1 2 248.330 1.515 20 0 BDADLO CC1=C(C)C[N@H+](CC(=O)Nc2ccon2)CC1 ZINC000684629528 488335622 /nfs/dbraw/zinc/33/56/22/488335622.db2.gz QRJUIPSTHGDGII-UHFFFAOYSA-N 1 2 235.287 1.655 20 0 BDADLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccon2)CC1 ZINC000684629528 488335624 /nfs/dbraw/zinc/33/56/24/488335624.db2.gz QRJUIPSTHGDGII-UHFFFAOYSA-N 1 2 235.287 1.655 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)C(F)F ZINC000684295538 488288199 /nfs/dbraw/zinc/28/81/99/488288199.db2.gz GYTQODRJCRKWKR-UHFFFAOYSA-N 1 2 245.273 1.370 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)CC1(F)CC1 ZINC000684356734 488300055 /nfs/dbraw/zinc/30/00/55/488300055.db2.gz QZBXTHKFFVTUDC-UHFFFAOYSA-N 1 2 214.284 1.043 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)CC1(F)CC1 ZINC000684356734 488300056 /nfs/dbraw/zinc/30/00/56/488300056.db2.gz QZBXTHKFFVTUDC-UHFFFAOYSA-N 1 2 214.284 1.043 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CCn1cccc1 ZINC000673671798 488302476 /nfs/dbraw/zinc/30/24/76/488302476.db2.gz UZIIIABDHQEWLQ-UHFFFAOYSA-N 1 2 243.310 1.896 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC=CCC2)n1 ZINC000679322809 488336642 /nfs/dbraw/zinc/33/66/42/488336642.db2.gz DIRQAGPIQAWPSB-SECBINFHSA-N 1 2 223.276 1.539 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679322809 488336643 /nfs/dbraw/zinc/33/66/43/488336643.db2.gz DIRQAGPIQAWPSB-SECBINFHSA-N 1 2 223.276 1.539 20 0 BDADLO Cc1occc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000684405470 488307006 /nfs/dbraw/zinc/30/70/06/488307006.db2.gz ZEJWTRZIHIISRC-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1occc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000684405470 488307007 /nfs/dbraw/zinc/30/70/07/488307007.db2.gz ZEJWTRZIHIISRC-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2cn[nH]c2)o1 ZINC000684428162 488311717 /nfs/dbraw/zinc/31/17/17/488311717.db2.gz JIDKWDDKXDTGIG-UHFFFAOYSA-N 1 2 235.287 1.306 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2cn[nH]c2)o1 ZINC000684428162 488311719 /nfs/dbraw/zinc/31/17/19/488311719.db2.gz JIDKWDDKXDTGIG-UHFFFAOYSA-N 1 2 235.287 1.306 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@@H](F)C2)cc[nH+]1 ZINC000679191201 488315655 /nfs/dbraw/zinc/31/56/55/488315655.db2.gz CDGUXGITAAYCID-WPRPVWTQSA-N 1 2 209.268 1.969 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1F ZINC000679225508 488317150 /nfs/dbraw/zinc/31/71/50/488317150.db2.gz QVOMTIPIPCHMGY-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1F ZINC000679225508 488317152 /nfs/dbraw/zinc/31/71/52/488317152.db2.gz QVOMTIPIPCHMGY-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CCN(Cc2c[nH+]cn2C)C[C@H]1F ZINC000679225508 488317155 /nfs/dbraw/zinc/31/71/55/488317155.db2.gz QVOMTIPIPCHMGY-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1F ZINC000679218708 488317983 /nfs/dbraw/zinc/31/79/83/488317983.db2.gz BRKUMOQWOWUTIB-ZJUUUORDSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1F ZINC000679218708 488317984 /nfs/dbraw/zinc/31/79/84/488317984.db2.gz BRKUMOQWOWUTIB-ZJUUUORDSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C[C@@H]1F ZINC000679222378 488319980 /nfs/dbraw/zinc/31/99/80/488319980.db2.gz MIYUXWSDMSZZRQ-PWSUYJOCSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C[C@@H]1F ZINC000679222378 488319982 /nfs/dbraw/zinc/31/99/82/488319982.db2.gz MIYUXWSDMSZZRQ-PWSUYJOCSA-N 1 2 242.338 1.535 20 0 BDADLO CC[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000684495610 488321769 /nfs/dbraw/zinc/32/17/69/488321769.db2.gz RZZDJQWOTBMXDJ-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO CC[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000684495610 488321772 /nfs/dbraw/zinc/32/17/72/488321772.db2.gz RZZDJQWOTBMXDJ-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)nn1C ZINC000679226856 488322161 /nfs/dbraw/zinc/32/21/61/488322161.db2.gz VVLRLNWQOFMTGP-BXKDBHETSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)nn1C ZINC000679226856 488322163 /nfs/dbraw/zinc/32/21/63/488322163.db2.gz VVLRLNWQOFMTGP-BXKDBHETSA-N 1 2 225.311 1.908 20 0 BDADLO O=C(C[N@H+]1CC=CCC1)Nc1ccccc1 ZINC000679323992 488337763 /nfs/dbraw/zinc/33/77/63/488337763.db2.gz YBXBRCIYACWCBT-UHFFFAOYSA-N 1 2 216.284 1.887 20 0 BDADLO O=C(C[N@@H+]1CC=CCC1)Nc1ccccc1 ZINC000679323992 488337764 /nfs/dbraw/zinc/33/77/64/488337764.db2.gz YBXBRCIYACWCBT-UHFFFAOYSA-N 1 2 216.284 1.887 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC=CCC1 ZINC000679324890 488338237 /nfs/dbraw/zinc/33/82/37/488338237.db2.gz KVDXSBIVKDYQMX-UHFFFAOYSA-N 1 2 205.261 1.062 20 0 BDADLO COCCOC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000679355650 488343720 /nfs/dbraw/zinc/34/37/20/488343720.db2.gz OBIDVFKDZDYCST-NXEZZACHSA-N 1 2 241.335 1.420 20 0 BDADLO C=C/C(C)=C\CC(=O)NCc1[nH]cc[nH+]1 ZINC000684833193 488347466 /nfs/dbraw/zinc/34/74/66/488347466.db2.gz DVZFMYKOZWKWKS-WTKPLQERSA-N 1 2 205.261 1.548 20 0 BDADLO Cc1cc(NC(=O)C2=CCC2)c(C)c[nH+]1 ZINC000679490352 488354946 /nfs/dbraw/zinc/35/49/46/488354946.db2.gz OKAHUDGCCHPRHZ-UHFFFAOYSA-N 1 2 202.257 1.779 20 0 BDADLO Cc1nc(NCC[C@H](O)C(F)F)cc[nH+]1 ZINC000631462835 490101911 /nfs/dbraw/zinc/10/19/11/490101911.db2.gz VAVYYHNNFUUKCR-ZETCQYMHSA-N 1 2 217.219 1.213 20 0 BDADLO Cc1nc(NCC[C@@H](O)C(F)F)cc[nH+]1 ZINC000631462834 490102457 /nfs/dbraw/zinc/10/24/57/490102457.db2.gz VAVYYHNNFUUKCR-SSDOTTSWSA-N 1 2 217.219 1.213 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC2(CCC2)C1 ZINC000380288972 490131559 /nfs/dbraw/zinc/13/15/59/490131559.db2.gz AOQTXXMAZCIJPJ-UHFFFAOYSA-N 1 2 234.303 1.448 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC2(CCC2)C1 ZINC000380288972 490131570 /nfs/dbraw/zinc/13/15/70/490131570.db2.gz AOQTXXMAZCIJPJ-UHFFFAOYSA-N 1 2 234.303 1.448 20 0 BDADLO C[C@@H](NC(=O)C1CC(F)(F)C1)c1[nH]cc[nH+]1 ZINC000383550074 490163376 /nfs/dbraw/zinc/16/33/76/490163376.db2.gz OEMUYCMFWLTGOV-ZCFIWIBFSA-N 1 2 229.230 1.632 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000050150371 490196622 /nfs/dbraw/zinc/19/66/22/490196622.db2.gz MDNNXXDQXBQKJX-SNVBAGLBSA-N 1 2 237.274 1.465 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000050150371 490196626 /nfs/dbraw/zinc/19/66/26/490196626.db2.gz MDNNXXDQXBQKJX-SNVBAGLBSA-N 1 2 237.274 1.465 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222830 490258660 /nfs/dbraw/zinc/25/86/60/490258660.db2.gz JMNVEUDZSRDRNI-OUAUKWLOSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222830 490258667 /nfs/dbraw/zinc/25/86/67/490258667.db2.gz JMNVEUDZSRDRNI-OUAUKWLOSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000124223398 490267867 /nfs/dbraw/zinc/26/78/67/490267867.db2.gz QHELZYSZQMFVRR-CABZTGNLSA-N 1 2 249.314 1.166 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cncnc1 ZINC000124854964 490405830 /nfs/dbraw/zinc/40/58/30/490405830.db2.gz QRWOHMFHDZEFHW-ZDUSSCGKSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cncnc1 ZINC000124854964 490405836 /nfs/dbraw/zinc/40/58/36/490405836.db2.gz QRWOHMFHDZEFHW-ZDUSSCGKSA-N 1 2 235.331 1.724 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)no1 ZINC000305174234 490446959 /nfs/dbraw/zinc/44/69/59/490446959.db2.gz KVLKFTMHCXTLLB-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)no1 ZINC000305174234 490446961 /nfs/dbraw/zinc/44/69/61/490446961.db2.gz KVLKFTMHCXTLLB-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725040 490458701 /nfs/dbraw/zinc/45/87/01/490458701.db2.gz XQRPDMMZMRRTAU-VHSXEESVSA-N 1 2 233.315 1.766 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cncnc2)[C@H]1C ZINC000126515506 490502514 /nfs/dbraw/zinc/50/25/14/490502514.db2.gz GYRCQHNMAURJKV-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cncnc2)[C@H]1C ZINC000126515506 490502517 /nfs/dbraw/zinc/50/25/17/490502517.db2.gz GYRCQHNMAURJKV-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO CN1CC[N@H+](Cc2coc3ccccc23)CC1=O ZINC000127330834 490545893 /nfs/dbraw/zinc/54/58/93/490545893.db2.gz DGINNSWBLRBYFU-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO CN1CC[N@@H+](Cc2coc3ccccc23)CC1=O ZINC000127330834 490545898 /nfs/dbraw/zinc/54/58/98/490545898.db2.gz DGINNSWBLRBYFU-UHFFFAOYSA-N 1 2 244.294 1.707 20 0 BDADLO COc1ccc(N[C@@H]2CCOC[C@@H]2C)[nH+]c1 ZINC000300862393 490572238 /nfs/dbraw/zinc/57/22/38/490572238.db2.gz NWTWSINNNURCOL-GXSJLCMTSA-N 1 2 222.288 1.927 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000650960962 490678418 /nfs/dbraw/zinc/67/84/18/490678418.db2.gz WJVRAAMNRSGDRI-WOPDTQHZSA-N 1 2 247.342 1.608 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cn[nH]c1 ZINC000085824689 491053383 /nfs/dbraw/zinc/05/33/83/491053383.db2.gz MXOXSBLCCKKLIE-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO O=C(NCCCC1CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668920404 491068338 /nfs/dbraw/zinc/06/83/38/491068338.db2.gz XFOZNJMSYJNMCA-NSHDSACASA-N 1 2 247.342 1.821 20 0 BDADLO O=C(NCCCC1CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668920404 491068339 /nfs/dbraw/zinc/06/83/39/491068339.db2.gz XFOZNJMSYJNMCA-NSHDSACASA-N 1 2 247.342 1.821 20 0 BDADLO CN1CC[N@H+](Cc2cccc3c2CCC3)CC1=O ZINC000651641305 491072589 /nfs/dbraw/zinc/07/25/89/491072589.db2.gz MSAOKLPQCLPMTK-UHFFFAOYSA-N 1 2 244.338 1.449 20 0 BDADLO CN1CC[N@@H+](Cc2cccc3c2CCC3)CC1=O ZINC000651641305 491072591 /nfs/dbraw/zinc/07/25/91/491072591.db2.gz MSAOKLPQCLPMTK-UHFFFAOYSA-N 1 2 244.338 1.449 20 0 BDADLO CCc1cc(N(C)CCCCCO)nc[nH+]1 ZINC000227109662 491054980 /nfs/dbraw/zinc/05/49/80/491054980.db2.gz FQXARMUXLIOOFS-UHFFFAOYSA-N 1 2 223.320 1.638 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@H]3C[C@H]32)nc[nH+]1 ZINC000665718955 491087730 /nfs/dbraw/zinc/08/77/30/491087730.db2.gz GWBLMFJPKOUUOL-GARJFASQSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@H]3C[C@H]32)[nH+]cn1 ZINC000665718955 491087731 /nfs/dbraw/zinc/08/77/31/491087731.db2.gz GWBLMFJPKOUUOL-GARJFASQSA-N 1 2 248.330 1.258 20 0 BDADLO O=C1C[C@H]([C@@H]2CCC[N@@H+](CC(F)F)C2)CN1 ZINC000671448507 491105733 /nfs/dbraw/zinc/10/57/33/491105733.db2.gz ADMIVSLDLHRVBF-BDAKNGLRSA-N 1 2 232.274 1.100 20 0 BDADLO O=C1C[C@H]([C@@H]2CCC[N@H+](CC(F)F)C2)CN1 ZINC000671448507 491105734 /nfs/dbraw/zinc/10/57/34/491105734.db2.gz ADMIVSLDLHRVBF-BDAKNGLRSA-N 1 2 232.274 1.100 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665869713 491109282 /nfs/dbraw/zinc/10/92/82/491109282.db2.gz KRSKCQJCUSPKJC-YUSALJHKSA-N 1 2 247.342 1.781 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665869701 491109303 /nfs/dbraw/zinc/10/93/03/491109303.db2.gz KNMRLAAAZYKJHD-ONGXEEELSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665869701 491109304 /nfs/dbraw/zinc/10/93/04/491109304.db2.gz KNMRLAAAZYKJHD-ONGXEEELSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)nc2)[C@H](C)CO1 ZINC000122633745 491114643 /nfs/dbraw/zinc/11/46/43/491114643.db2.gz POZUWIBPFVOMSB-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)[C@H](C)CO1 ZINC000122633745 491114645 /nfs/dbraw/zinc/11/46/45/491114645.db2.gz POZUWIBPFVOMSB-VXGBXAGGSA-N 1 2 249.358 1.757 20 0 BDADLO CCC(C)(C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000313464961 491125867 /nfs/dbraw/zinc/12/58/67/491125867.db2.gz WUCVMVGFCZELPB-UHFFFAOYSA-N 1 2 238.335 1.450 20 0 BDADLO Cc1ccnc(NCCc2cn(C)c[nH+]2)n1 ZINC000313482575 491125971 /nfs/dbraw/zinc/12/59/71/491125971.db2.gz KNROGINFOHWZCD-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO CCn1nccc1C(=O)Nc1cc[nH+]cc1O ZINC000131956282 491134320 /nfs/dbraw/zinc/13/43/20/491134320.db2.gz QWGOEQFRMSUQOJ-UHFFFAOYSA-N 1 2 232.243 1.256 20 0 BDADLO c1cc(CNc2cc3cc[nH]c3c[nH+]2)n[nH]1 ZINC000309317762 491146794 /nfs/dbraw/zinc/14/67/94/491146794.db2.gz DNSZUZYFJPRPCW-UHFFFAOYSA-N 1 2 213.244 1.898 20 0 BDADLO CCc1cc(N[C@@H](CCOC)COC)nc[nH+]1 ZINC000310473701 491161697 /nfs/dbraw/zinc/16/16/97/491161697.db2.gz JJJHUHUJQUMAMQ-NSHDSACASA-N 1 2 239.319 1.502 20 0 BDADLO CC(C)COc1ccc(C[NH+]2CC(O)C2)cc1 ZINC000297464894 974939975 /nfs/dbraw/zinc/93/99/75/974939975.db2.gz QLOWZSWBCLAHCJ-UHFFFAOYSA-N 1 2 235.327 1.898 20 0 BDADLO CSCC(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000890875684 582585538 /nfs/dbraw/zinc/58/55/38/582585538.db2.gz RVWMBAUIXJNQCU-UHFFFAOYSA-N 1 2 227.333 1.590 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000844457073 582592531 /nfs/dbraw/zinc/59/25/31/582592531.db2.gz ITGMUANUJRWXDY-KNVOCYPGSA-N 1 2 216.256 1.840 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000844457073 582592535 /nfs/dbraw/zinc/59/25/35/582592535.db2.gz ITGMUANUJRWXDY-KNVOCYPGSA-N 1 2 216.256 1.840 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000495857274 534003482 /nfs/dbraw/zinc/00/34/82/534003482.db2.gz UWCMGWSHZBYZBU-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO C[C@@H](CO)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000495038038 534134702 /nfs/dbraw/zinc/13/47/02/534134702.db2.gz NBPRCQKMPQXYBU-ONGXEEELSA-N 1 2 238.335 1.397 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856923 534142158 /nfs/dbraw/zinc/14/21/58/534142158.db2.gz CUANPFVBMMTHTO-KWMOZEJZSA-N 1 2 219.288 1.822 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900260 534197842 /nfs/dbraw/zinc/19/78/42/534197842.db2.gz UTOCNCIMYIZFGI-VYODUFISSA-N 1 2 205.261 1.338 20 0 BDADLO C[C@@]1(O)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493549852 534275505 /nfs/dbraw/zinc/27/55/05/534275505.db2.gz LZRKIYCQBARCRM-ITDFMYJTSA-N 1 2 249.314 1.186 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178816634 536121602 /nfs/dbraw/zinc/12/16/02/536121602.db2.gz GGDIBRVNLAUKEA-RYUDHWBXSA-N 1 2 249.358 1.950 20 0 BDADLO CCc1nc(N2C[C@@H](C)OC[C@H]2C)cc(C)[nH+]1 ZINC000286209027 536125367 /nfs/dbraw/zinc/12/53/67/536125367.db2.gz SCQKPFJAXVVIBB-GHMZBOCLSA-N 1 2 235.331 1.961 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@]23CCOC3)no1 ZINC000367062191 536133481 /nfs/dbraw/zinc/13/34/81/536133481.db2.gz KRAYVUZIIHOFQN-GFCCVEGCSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@]23CCOC3)no1 ZINC000367062191 536133479 /nfs/dbraw/zinc/13/34/79/536133479.db2.gz KRAYVUZIIHOFQN-GFCCVEGCSA-N 1 2 237.303 1.387 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)OCC1CC1 ZINC000496664109 534359469 /nfs/dbraw/zinc/35/94/69/534359469.db2.gz YKZPVIQAAUJHAU-UHFFFAOYSA-N 1 2 235.287 1.630 20 0 BDADLO Cc1nc(N2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488401300 534435097 /nfs/dbraw/zinc/43/50/97/534435097.db2.gz XHEGRMCIYFUSOL-QMMMGPOBSA-N 1 2 221.308 1.092 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H](C)C2)[nH+]1 ZINC000488401300 534435103 /nfs/dbraw/zinc/43/51/03/534435103.db2.gz XHEGRMCIYFUSOL-QMMMGPOBSA-N 1 2 221.308 1.092 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488406740 534435507 /nfs/dbraw/zinc/43/55/07/534435507.db2.gz BGVSDFRHBHVPKJ-DTWKUNHWSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)C[C@H]2C)[nH+]1 ZINC000488406740 534435510 /nfs/dbraw/zinc/43/55/10/534435510.db2.gz BGVSDFRHBHVPKJ-DTWKUNHWSA-N 1 2 235.335 1.481 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCC1CCC1 ZINC000487343784 534788284 /nfs/dbraw/zinc/78/82/84/534788284.db2.gz YRNKNLTTZVAPKR-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/C1CCCC1 ZINC000493100418 534787789 /nfs/dbraw/zinc/78/77/89/534787789.db2.gz AYFNCLUJYZVXJJ-VOTSOKGWSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)c1nc(N2C[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000351501385 534911873 /nfs/dbraw/zinc/91/18/73/534911873.db2.gz HOSWQIXKOPFGHB-UWVGGRQHSA-N 1 2 221.304 1.417 20 0 BDADLO CC(C)(C)OC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000495529249 526487893 /nfs/dbraw/zinc/48/78/93/526487893.db2.gz NEHCGCLSKTXJDV-SECBINFHSA-N 1 2 237.303 1.723 20 0 BDADLO COCCOCC[N@@H+]1CCC=C(F)C1 ZINC000352784079 536499537 /nfs/dbraw/zinc/49/95/37/536499537.db2.gz MSTZFBXIXGKDCZ-UHFFFAOYSA-N 1 2 203.257 1.209 20 0 BDADLO COCCOCC[N@H+]1CCC=C(F)C1 ZINC000352784079 536499544 /nfs/dbraw/zinc/49/95/44/536499544.db2.gz MSTZFBXIXGKDCZ-UHFFFAOYSA-N 1 2 203.257 1.209 20 0 BDADLO CC(C)(C)/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000174757317 527548798 /nfs/dbraw/zinc/54/87/98/527548798.db2.gz JAOQKODBLLQXRO-GQCTYLIASA-N 1 2 221.304 1.671 20 0 BDADLO CC(C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492828376 527728679 /nfs/dbraw/zinc/72/86/79/527728679.db2.gz YWQFUYSMPWBFFR-ONEGZZNKSA-N 1 2 207.277 1.585 20 0 BDADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493822902 527933783 /nfs/dbraw/zinc/93/37/83/527933783.db2.gz NBNYKWGAHZHREL-NSCUHMNNSA-N 1 2 205.261 1.339 20 0 BDADLO CC(C)OCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492898986 527940020 /nfs/dbraw/zinc/94/00/20/527940020.db2.gz LOIHPDCOZKAJTH-SNAWJCMRSA-N 1 2 237.303 1.354 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308363892 527964432 /nfs/dbraw/zinc/96/44/32/527964432.db2.gz JJOFBBRDXZCLQR-GARJFASQSA-N 1 2 241.331 1.485 20 0 BDADLO CC1(F)CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493562021 528012346 /nfs/dbraw/zinc/01/23/46/528012346.db2.gz UGBMCERYHXSJAK-IHWYPQMZSA-N 1 2 223.251 1.430 20 0 BDADLO CCC[C@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000174747019 528027090 /nfs/dbraw/zinc/02/70/90/528027090.db2.gz LJKPNMCPCWDXTI-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO CC1=C(C)CN(C(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493396768 528083969 /nfs/dbraw/zinc/08/39/69/528083969.db2.gz FLEPOEVXERHBQC-ARJAWSKDSA-N 1 2 231.299 1.992 20 0 BDADLO CCO/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000493698756 528489439 /nfs/dbraw/zinc/48/94/39/528489439.db2.gz UWDZFHITFSTKMH-ZKXNXJMVSA-N 1 2 237.303 1.630 20 0 BDADLO CCO/C=C/C(=O)Nc1c[nH+]ccc1OC ZINC000493226001 528501087 /nfs/dbraw/zinc/50/10/87/528501087.db2.gz RDZURTOUVQQAQB-FNORWQNLSA-N 1 2 222.244 1.579 20 0 BDADLO CCO/C=C\C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000492834555 528509110 /nfs/dbraw/zinc/50/91/10/528509110.db2.gz HOWBCEUUIFIGSX-YHYXMXQVSA-N 1 2 249.314 1.597 20 0 BDADLO CC(C)n1cc(NC(=O)/C=C/c2[nH]cc[nH+]2)cn1 ZINC000493162994 528571225 /nfs/dbraw/zinc/57/12/25/528571225.db2.gz VKHHXRFFOZIOBB-ONEGZZNKSA-N 1 2 245.286 1.839 20 0 BDADLO CC(C)N(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCOC1 ZINC000493234886 528766137 /nfs/dbraw/zinc/76/61/37/528766137.db2.gz FAEAISLYPVXRMY-UFFNRZRYSA-N 1 2 249.314 1.449 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000493778797 528766292 /nfs/dbraw/zinc/76/62/92/528766292.db2.gz BQOYFWVPARBOHO-MVZIDQBPSA-N 1 2 249.314 1.449 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510110179 528899226 /nfs/dbraw/zinc/89/92/26/528899226.db2.gz WMUNLPJMGUSTLZ-PHIMTYICSA-N 1 2 238.335 1.297 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510110179 528899232 /nfs/dbraw/zinc/89/92/32/528899232.db2.gz WMUNLPJMGUSTLZ-PHIMTYICSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1COCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493364270 529306433 /nfs/dbraw/zinc/30/64/33/529306433.db2.gz ZZQUXZJWQJGULJ-FSIBCCDJSA-N 1 2 235.287 1.060 20 0 BDADLO CCC[NH+]1CCN(c2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000019845288 534932045 /nfs/dbraw/zinc/93/20/45/534932045.db2.gz IOSGMMAYZVXREX-UHFFFAOYSA-N 1 2 249.314 1.312 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261550043 535021561 /nfs/dbraw/zinc/02/15/61/535021561.db2.gz PEICOCSYEHKBTH-QMMMGPOBSA-N 1 2 220.263 1.098 20 0 BDADLO CC(C)(CF)NC(=O)NCCCn1cc[nH+]c1 ZINC000349054075 535058757 /nfs/dbraw/zinc/05/87/57/535058757.db2.gz ZSEVRJGXQJMVDR-UHFFFAOYSA-N 1 2 242.298 1.321 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263197824 535291066 /nfs/dbraw/zinc/29/10/66/535291066.db2.gz IQVNQYVGLYYPIQ-QMMMGPOBSA-N 1 2 232.274 1.290 20 0 BDADLO CC(C)=CC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000069867769 535369059 /nfs/dbraw/zinc/36/90/59/535369059.db2.gz STELLFRRAQYXGU-SNVBAGLBSA-N 1 2 219.350 1.318 20 0 BDADLO CC(C)=CC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000069867769 535369060 /nfs/dbraw/zinc/36/90/60/535369060.db2.gz STELLFRRAQYXGU-SNVBAGLBSA-N 1 2 219.350 1.318 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)(C)C)C[C@H](C)O ZINC000352202956 535392283 /nfs/dbraw/zinc/39/22/83/535392283.db2.gz NZBYZTHVKGWDKV-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)(C)C)C[C@H](C)O ZINC000352202956 535392286 /nfs/dbraw/zinc/39/22/86/535392286.db2.gz NZBYZTHVKGWDKV-JTQLQIEISA-N 1 2 240.351 1.236 20 0 BDADLO CCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336063687 535440872 /nfs/dbraw/zinc/44/08/72/535440872.db2.gz MAGWYAFCYRTDLK-UHFFFAOYSA-N 1 2 217.272 1.631 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12CCC[C@H](C1CC1)C2 ZINC000335642339 535443892 /nfs/dbraw/zinc/44/38/92/535443892.db2.gz HSLYUDACHZSDLA-WCQYABFASA-N 1 2 222.332 1.735 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12CCC[C@H](C1CC1)C2 ZINC000335642339 535443895 /nfs/dbraw/zinc/44/38/95/535443895.db2.gz HSLYUDACHZSDLA-WCQYABFASA-N 1 2 222.332 1.735 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000227091982 535460840 /nfs/dbraw/zinc/46/08/40/535460840.db2.gz RVOMXOGIPSPLHI-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000227091982 535460843 /nfs/dbraw/zinc/46/08/43/535460843.db2.gz RVOMXOGIPSPLHI-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262982908 535463488 /nfs/dbraw/zinc/46/34/88/535463488.db2.gz MVMFXRYUKNVQMH-HRDYMLBCSA-N 1 2 232.274 1.288 20 0 BDADLO CCOCC[N@H+](CC)Cc1ncc(C)n1C ZINC000342772561 535584379 /nfs/dbraw/zinc/58/43/79/535584379.db2.gz BBTDRAHYVWTLOK-UHFFFAOYSA-N 1 2 225.336 1.587 20 0 BDADLO CCOCC[N@@H+](CC)Cc1ncc(C)n1C ZINC000342772561 535584385 /nfs/dbraw/zinc/58/43/85/535584385.db2.gz BBTDRAHYVWTLOK-UHFFFAOYSA-N 1 2 225.336 1.587 20 0 BDADLO CCOCCN(CC)Cc1[nH+]cc(C)n1C ZINC000342772561 535584387 /nfs/dbraw/zinc/58/43/87/535584387.db2.gz BBTDRAHYVWTLOK-UHFFFAOYSA-N 1 2 225.336 1.587 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CCCO1)[C@@H](C)CC ZINC000217680223 535660009 /nfs/dbraw/zinc/66/00/09/535660009.db2.gz CUVHLKIBMVYPSQ-QJPTWQEYSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CCCO1)[C@H](C)CC ZINC000251677392 535660305 /nfs/dbraw/zinc/66/03/05/535660305.db2.gz CUVHLKIBMVYPSQ-IJLUTSLNSA-N 1 2 243.347 1.733 20 0 BDADLO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1noc(C)n1 ZINC000352114803 535765663 /nfs/dbraw/zinc/76/56/63/535765663.db2.gz DBHTXTHGBUWXHF-SFYZADRCSA-N 1 2 213.281 1.142 20 0 BDADLO CC[N@@H+](C[C@@H](C)O)[C@@H](C)c1noc(C)n1 ZINC000352114803 535765665 /nfs/dbraw/zinc/76/56/65/535765665.db2.gz DBHTXTHGBUWXHF-SFYZADRCSA-N 1 2 213.281 1.142 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H](C)O1 ZINC000348240582 535868848 /nfs/dbraw/zinc/86/88/48/535868848.db2.gz DKEOMQXOGBKVRN-HOSYDEDBSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H](C)O1 ZINC000348240582 535868851 /nfs/dbraw/zinc/86/88/51/535868851.db2.gz DKEOMQXOGBKVRN-HOSYDEDBSA-N 1 2 240.347 1.153 20 0 BDADLO CN(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000336036336 536049789 /nfs/dbraw/zinc/04/97/89/536049789.db2.gz XBJPSXCIQIQTSF-MRVPVSSYSA-N 1 2 234.303 1.071 20 0 BDADLO CN(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000336036336 536049792 /nfs/dbraw/zinc/04/97/92/536049792.db2.gz XBJPSXCIQIQTSF-MRVPVSSYSA-N 1 2 234.303 1.071 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCSC1 ZINC000334494827 536086037 /nfs/dbraw/zinc/08/60/37/536086037.db2.gz IFFJGGACBIQECX-JTQLQIEISA-N 1 2 236.340 1.758 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(CC)C(=O)C2)cc1 ZINC000348818500 536175002 /nfs/dbraw/zinc/17/50/02/536175002.db2.gz SUAGBJVHBNKBHV-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(CC)C(=O)C2)cc1 ZINC000348818500 536175005 /nfs/dbraw/zinc/17/50/05/536175005.db2.gz SUAGBJVHBNKBHV-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO CNC(=O)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335610730 536395078 /nfs/dbraw/zinc/39/50/78/536395078.db2.gz YDAVSWBWRBETIH-VIFPVBQESA-N 1 2 244.298 1.135 20 0 BDADLO COC(=O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000076065990 536471559 /nfs/dbraw/zinc/47/15/59/536471559.db2.gz MRERWJNFBJZLEQ-VIFPVBQESA-N 1 2 217.334 1.233 20 0 BDADLO COC(=O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000076065990 536471562 /nfs/dbraw/zinc/47/15/62/536471562.db2.gz MRERWJNFBJZLEQ-VIFPVBQESA-N 1 2 217.334 1.233 20 0 BDADLO CC(C)CC[N@H+](Cc1nnn(C)n1)C1CC1 ZINC000194431937 566492458 /nfs/dbraw/zinc/49/24/58/566492458.db2.gz OASSCCBDFYSBGW-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO CC(C)CC[N@@H+](Cc1nnn(C)n1)C1CC1 ZINC000194431937 566492463 /nfs/dbraw/zinc/49/24/63/566492463.db2.gz OASSCCBDFYSBGW-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnccc2C)o1 ZINC000235957822 566372292 /nfs/dbraw/zinc/37/22/92/566372292.db2.gz RYVOYCAGRBYOML-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO c1[nH]cc(CCc2nc(-c3ccncc3)no2)[nH+]1 ZINC000438835119 566372504 /nfs/dbraw/zinc/37/25/04/566372504.db2.gz KDYLZEABVQPXOI-UHFFFAOYSA-N 1 2 241.254 1.640 20 0 BDADLO c1[nH]c(CCc2nc(-c3ccncc3)no2)c[nH+]1 ZINC000438835119 566372509 /nfs/dbraw/zinc/37/25/09/566372509.db2.gz KDYLZEABVQPXOI-UHFFFAOYSA-N 1 2 241.254 1.640 20 0 BDADLO CC(C)c1c[nH]c(C[NH+]2CCC(O)CC2)n1 ZINC000893903320 583243360 /nfs/dbraw/zinc/24/33/60/583243360.db2.gz YSPWVONZMFFHGW-UHFFFAOYSA-N 1 2 223.320 1.490 20 0 BDADLO CC(C)CNC(=S)N[C@@H](C)c1[nH+]ccn1C ZINC000853045560 588717457 /nfs/dbraw/zinc/71/74/57/588717457.db2.gz VROUGNZVZPPSII-VIFPVBQESA-N 1 2 240.376 1.601 20 0 BDADLO CC(C)[C@@H]1CCN(C[NH+]2CCSCC2)C1=O ZINC000853491268 588746048 /nfs/dbraw/zinc/74/60/48/588746048.db2.gz PHDDDRCAQKSYKD-NSHDSACASA-N 1 2 242.388 1.497 20 0 BDADLO CC(C)[C@H]1CCN(C[NH+]2CCSCC2)C1=O ZINC000853491266 588746054 /nfs/dbraw/zinc/74/60/54/588746054.db2.gz PHDDDRCAQKSYKD-LLVKDONJSA-N 1 2 242.388 1.497 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(=O)o1 ZINC000853505565 588746575 /nfs/dbraw/zinc/74/65/75/588746575.db2.gz MLKJSXXQDHTRHX-IUCAKERBSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(=O)o1 ZINC000853505565 588746576 /nfs/dbraw/zinc/74/65/76/588746576.db2.gz MLKJSXXQDHTRHX-IUCAKERBSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c(=O)o1 ZINC000853512076 588746983 /nfs/dbraw/zinc/74/69/83/588746983.db2.gz YCJHIRWMMBZBAZ-SNVBAGLBSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c(=O)o1 ZINC000853512076 588746984 /nfs/dbraw/zinc/74/69/84/588746984.db2.gz YCJHIRWMMBZBAZ-SNVBAGLBSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[NH+]2CCCCCCCC2)c(=O)o1 ZINC000853516697 588747362 /nfs/dbraw/zinc/74/73/62/588747362.db2.gz ODFZXDXYYZVTKO-UHFFFAOYSA-N 1 2 239.319 1.758 20 0 BDADLO c1cn2c([nH+]1)[C@H](Nc1ncccn1)CC2 ZINC000853651444 588752233 /nfs/dbraw/zinc/75/22/33/588752233.db2.gz XKIUBZNHQSSUOU-MRVPVSSYSA-N 1 2 201.233 1.230 20 0 BDADLO Cc1nonc1CO[NH+]=C(N)Cc1ccccc1 ZINC000853655143 588752679 /nfs/dbraw/zinc/75/26/79/588752679.db2.gz CJAOEOJMMYBXAJ-UHFFFAOYSA-N 1 2 246.270 1.619 20 0 BDADLO CO[C@H](CO[NH+]=C(N)COC(C)C)C1CCC1 ZINC000853658509 588753046 /nfs/dbraw/zinc/75/30/46/588753046.db2.gz MKISGWMQKUHVLO-LLVKDONJSA-N 1 2 244.335 1.725 20 0 BDADLO CC1=NO[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000853661699 588753680 /nfs/dbraw/zinc/75/36/80/588753680.db2.gz ZLWGUBMLBPBRIQ-JTQLQIEISA-N 1 2 232.287 1.931 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(F)ncn2)c2[nH+]ccn21 ZINC000853668418 588754131 /nfs/dbraw/zinc/75/41/31/588754131.db2.gz MUYMSUYLLSWMFR-YUMQZZPRSA-N 1 2 233.250 1.930 20 0 BDADLO CC(C)[C@H](C)O[NH+]=C(N)COC[C@H]1CCCO1 ZINC000853727782 588759584 /nfs/dbraw/zinc/75/95/84/588759584.db2.gz HVVREJKSGHNBDD-WDEREUQCSA-N 1 2 244.335 1.725 20 0 BDADLO Cc1nccnc1C(=O)OCCCn1cc[nH+]c1 ZINC000853935968 588769745 /nfs/dbraw/zinc/76/97/45/588769745.db2.gz KBMKDAQWRUJUNE-UHFFFAOYSA-N 1 2 246.270 1.229 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000854110672 588774632 /nfs/dbraw/zinc/77/46/32/588774632.db2.gz JEQBTGGJGOTWJN-GFCCVEGCSA-N 1 2 239.319 1.707 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000854110672 588774633 /nfs/dbraw/zinc/77/46/33/588774633.db2.gz JEQBTGGJGOTWJN-GFCCVEGCSA-N 1 2 239.319 1.707 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000854179229 588778370 /nfs/dbraw/zinc/77/83/70/588778370.db2.gz USWUJGBPXJLRNK-OUAUKWLOSA-N 1 2 235.331 1.893 20 0 BDADLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](C)C(C)C ZINC000854511213 588789953 /nfs/dbraw/zinc/78/99/53/588789953.db2.gz ZBUAMVTVCJONTI-JTQLQIEISA-N 1 2 223.320 1.845 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000854526339 588790599 /nfs/dbraw/zinc/79/05/99/588790599.db2.gz MJMRDVPOSXTWFV-ZDUSSCGKSA-N 1 2 245.326 1.743 20 0 BDADLO C[C@@H](NC(=O)/C=C/[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594224 588796333 /nfs/dbraw/zinc/79/63/33/588796333.db2.gz HMWVVNVDPPZOKO-NBYFHADBSA-N 1 2 235.287 1.180 20 0 BDADLO C[C@@H](NC(=O)C=C[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594224 588796334 /nfs/dbraw/zinc/79/63/34/588796334.db2.gz HMWVVNVDPPZOKO-NBYFHADBSA-N 1 2 235.287 1.180 20 0 BDADLO Cc1ccoc1CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854684951 588801312 /nfs/dbraw/zinc/80/13/12/588801312.db2.gz GZTMOHLXCDODFH-SNVBAGLBSA-N 1 2 245.282 1.588 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000854828001 588812402 /nfs/dbraw/zinc/81/24/02/588812402.db2.gz FSCSSADYJBLOEL-SMDDNHRTSA-N 1 2 245.326 1.599 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CC(C)(C)C1 ZINC000854913514 588816600 /nfs/dbraw/zinc/81/66/00/588816600.db2.gz OOGMZSXHTWEQGK-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CC=CCC1 ZINC000854918408 588816870 /nfs/dbraw/zinc/81/68/70/588816870.db2.gz VUDFHGNDDDACDQ-GFCCVEGCSA-N 1 2 219.288 1.567 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(CC(F)F)C1 ZINC000854986887 588819783 /nfs/dbraw/zinc/81/97/83/588819783.db2.gz DUGIAENNDJXHBJ-UHFFFAOYSA-N 1 2 229.230 1.066 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C/[C@H]1CCCO1 ZINC000855135263 588823083 /nfs/dbraw/zinc/82/30/83/588823083.db2.gz IQYUYXWDXWVMMV-SGUJLRQBSA-N 1 2 235.287 1.103 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C/[C@H]1CCCO1 ZINC000855135263 588823084 /nfs/dbraw/zinc/82/30/84/588823084.db2.gz IQYUYXWDXWVMMV-SGUJLRQBSA-N 1 2 235.287 1.103 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1)CN1CCCC1=O ZINC000113238299 588827894 /nfs/dbraw/zinc/82/78/94/588827894.db2.gz FRZCUALVCUMLSO-UHFFFAOYSA-N 1 2 236.290 1.837 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1)CN1CCCC1=O ZINC000113238299 588827895 /nfs/dbraw/zinc/82/78/95/588827895.db2.gz FRZCUALVCUMLSO-UHFFFAOYSA-N 1 2 236.290 1.837 20 0 BDADLO O=C1CCCN1C[NH+]1Cc2ccccc2C1 ZINC000113245093 588828182 /nfs/dbraw/zinc/82/81/82/588828182.db2.gz XJARFKUYJHAJMF-UHFFFAOYSA-N 1 2 216.284 1.582 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(Cc2ccoc2)C1 ZINC000890569733 582481133 /nfs/dbraw/zinc/48/11/33/582481133.db2.gz SCLCBIRULPXSCR-UHFFFAOYSA-N 1 2 245.282 1.177 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000859215887 582486511 /nfs/dbraw/zinc/48/65/11/582486511.db2.gz ATTPMRXUBCQONP-VHSXEESVSA-N 1 2 219.288 1.931 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000859215887 582486512 /nfs/dbraw/zinc/48/65/12/582486512.db2.gz ATTPMRXUBCQONP-VHSXEESVSA-N 1 2 219.288 1.931 20 0 BDADLO CC[C@H]1COCC[N@@H+]1C/C=C(\C)C(=O)OC ZINC000214620271 582488769 /nfs/dbraw/zinc/48/87/69/582488769.db2.gz CHCLEIOKBUXKCD-UAWPZABVSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1COCC[N@H+]1C/C=C(\C)C(=O)OC ZINC000214620271 582488770 /nfs/dbraw/zinc/48/87/70/582488770.db2.gz CHCLEIOKBUXKCD-UAWPZABVSA-N 1 2 227.304 1.217 20 0 BDADLO CO[C@H](C)C(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000890854010 582581030 /nfs/dbraw/zinc/58/10/30/582581030.db2.gz VCCSAXAXMMKRSH-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C2CC2)CC1 ZINC000890991137 582594809 /nfs/dbraw/zinc/59/48/09/582594809.db2.gz SDNJGDRUNRURBR-UHFFFAOYSA-N 1 2 219.288 1.227 20 0 BDADLO c1nn(CC2CCC2)cc1C[NH+]1CCOCC1 ZINC000891392030 582676820 /nfs/dbraw/zinc/67/68/20/582676820.db2.gz WXDSKEDGFOTPSH-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO NC(=O)[C@H]1CCCCN1Cc1[nH+]ccn1C1CC1 ZINC000891489112 582691948 /nfs/dbraw/zinc/69/19/48/582691948.db2.gz FKHOCKIZCCQCNH-LLVKDONJSA-N 1 2 248.330 1.058 20 0 BDADLO CN(C)c1cc(N(C)Cc2cccnc2)nc[nH+]1 ZINC000891485601 582692279 /nfs/dbraw/zinc/69/22/79/582692279.db2.gz RCZAZQMAYWIXNQ-UHFFFAOYSA-N 1 2 243.314 1.574 20 0 BDADLO CN(C)c1cc(N(C)Cc2cccnc2)[nH+]cn1 ZINC000891485601 582692281 /nfs/dbraw/zinc/69/22/81/582692281.db2.gz RCZAZQMAYWIXNQ-UHFFFAOYSA-N 1 2 243.314 1.574 20 0 BDADLO CCc1cc(N2CCC(O)CC2)nc(CC)[nH+]1 ZINC000891495949 582692902 /nfs/dbraw/zinc/69/29/02/582692902.db2.gz XMHVYKPPOFXEFJ-UHFFFAOYSA-N 1 2 235.331 1.563 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnn(C)c2)cnc1F ZINC000891510206 582693606 /nfs/dbraw/zinc/69/36/06/582693606.db2.gz ROARJHFHLZPCRE-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnn(C)c2)cnc1F ZINC000891510206 582693608 /nfs/dbraw/zinc/69/36/08/582693608.db2.gz ROARJHFHLZPCRE-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C)n1 ZINC000891672103 582709016 /nfs/dbraw/zinc/70/90/16/582709016.db2.gz UIARJBGCNNCGNS-QWRGUYRKSA-N 1 2 237.347 1.821 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c(C)n1 ZINC000891672103 582709018 /nfs/dbraw/zinc/70/90/18/582709018.db2.gz UIARJBGCNNCGNS-QWRGUYRKSA-N 1 2 237.347 1.821 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccncc2)nc[nH+]1 ZINC000891676916 582709373 /nfs/dbraw/zinc/70/93/73/582709373.db2.gz CQXVTUJZIBBLFG-UHFFFAOYSA-N 1 2 243.314 1.574 20 0 BDADLO CN(C)c1cc(N(C)Cc2ccncc2)[nH+]cn1 ZINC000891676916 582709374 /nfs/dbraw/zinc/70/93/74/582709374.db2.gz CQXVTUJZIBBLFG-UHFFFAOYSA-N 1 2 243.314 1.574 20 0 BDADLO CC[C@@H]1COCCN1Cc1[nH+]ccn1C1CC1 ZINC000891716071 582713320 /nfs/dbraw/zinc/71/33/20/582713320.db2.gz KTWUNTXPZPYMOY-LLVKDONJSA-N 1 2 235.331 1.829 20 0 BDADLO Cc1cnnc(NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000891759679 582717129 /nfs/dbraw/zinc/71/71/29/582717129.db2.gz CEXRAFFWAFAXJR-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnccn2)c(C)n1 ZINC000891823455 582726408 /nfs/dbraw/zinc/72/64/08/582726408.db2.gz UAAKUSWKCXUTRZ-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnccn2)c(C)n1 ZINC000891823455 582726409 /nfs/dbraw/zinc/72/64/09/582726409.db2.gz UAAKUSWKCXUTRZ-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO COCCC[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000891819572 582726725 /nfs/dbraw/zinc/72/67/25/582726725.db2.gz YOXQNJGVQLBOEG-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO COCCC[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000891819572 582726727 /nfs/dbraw/zinc/72/67/27/582726727.db2.gz YOXQNJGVQLBOEG-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C2CC2)CCCO1 ZINC000891918717 582737964 /nfs/dbraw/zinc/73/79/64/582737964.db2.gz YNHWRMSTWCMALO-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C2CC2)CCCO1 ZINC000891918717 582737966 /nfs/dbraw/zinc/73/79/66/582737966.db2.gz YNHWRMSTWCMALO-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(O)c(F)c1 ZINC000891926018 582738826 /nfs/dbraw/zinc/73/88/26/582738826.db2.gz JMGFEEAMMXHUAS-UHFFFAOYSA-N 1 2 241.262 1.526 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(O)c(F)c1 ZINC000891926018 582738828 /nfs/dbraw/zinc/73/88/28/582738828.db2.gz JMGFEEAMMXHUAS-UHFFFAOYSA-N 1 2 241.262 1.526 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cn[nH]c2)c(C)n1 ZINC000892050081 582776029 /nfs/dbraw/zinc/77/60/29/582776029.db2.gz QAOFGLIVTUSICV-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cn[nH]c2)c(C)n1 ZINC000892050081 582776032 /nfs/dbraw/zinc/77/60/32/582776032.db2.gz QAOFGLIVTUSICV-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCn1cc(C[N@@H+]2CCOCC23CCC3)c(C)n1 ZINC000892068134 582785084 /nfs/dbraw/zinc/78/50/84/582785084.db2.gz GAHIULMKHTYFAH-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO CCn1cc(C[N@H+]2CCOCC23CCC3)c(C)n1 ZINC000892068134 582785087 /nfs/dbraw/zinc/78/50/87/582785087.db2.gz GAHIULMKHTYFAH-UHFFFAOYSA-N 1 2 249.358 1.966 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nccn1C1CC1 ZINC000892077018 582786565 /nfs/dbraw/zinc/78/65/65/582786565.db2.gz KZIKPVSXRYBCPS-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nccn1C1CC1 ZINC000892077018 582786570 /nfs/dbraw/zinc/78/65/70/582786570.db2.gz KZIKPVSXRYBCPS-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000892110909 582793572 /nfs/dbraw/zinc/79/35/72/582793572.db2.gz SIPLLWHFAGGSDY-GFCCVEGCSA-N 1 2 237.299 1.899 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000892110909 582793575 /nfs/dbraw/zinc/79/35/75/582793575.db2.gz SIPLLWHFAGGSDY-GFCCVEGCSA-N 1 2 237.299 1.899 20 0 BDADLO Cc1noc(CCNc2cccc([C@@H](C)O)[nH+]2)n1 ZINC000892134455 582797989 /nfs/dbraw/zinc/79/79/89/582797989.db2.gz DSMIEBFTDLJGEX-MRVPVSSYSA-N 1 2 248.286 1.481 20 0 BDADLO Cc1noc(-c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000113741650 588853047 /nfs/dbraw/zinc/85/30/47/588853047.db2.gz FIWSNFIIASOZET-UHFFFAOYSA-N 1 2 227.227 1.626 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902992 588853286 /nfs/dbraw/zinc/85/32/86/588853286.db2.gz OWVOWPFCUJUKJG-JTQLQIEISA-N 1 2 247.298 1.600 20 0 BDADLO CN(C)c1cc(N(C)C[C@@H]2CCCO2)nc[nH+]1 ZINC000892271660 582824162 /nfs/dbraw/zinc/82/41/62/582824162.db2.gz VSMBRPCKIBRENY-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO CN(C)c1cc(N(C)C[C@@H]2CCCO2)[nH+]cn1 ZINC000892271660 582824163 /nfs/dbraw/zinc/82/41/63/582824163.db2.gz VSMBRPCKIBRENY-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO CN(C[C@@H]1CCCO1)c1nccn2c[nH+]cc12 ZINC000892271864 582824207 /nfs/dbraw/zinc/82/42/07/582824207.db2.gz WNKWIYMNWGYAKJ-JTQLQIEISA-N 1 2 232.287 1.345 20 0 BDADLO Cc1cc(N2CC[C@H](O)C2)nc(C2CCC2)[nH+]1 ZINC000892325985 582845934 /nfs/dbraw/zinc/84/59/34/582845934.db2.gz SYQFZMWEMLLSRS-NSHDSACASA-N 1 2 233.315 1.624 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccnn1C1CCC1 ZINC000890363067 588859370 /nfs/dbraw/zinc/85/93/70/588859370.db2.gz FBUWNCIMCZMLLO-UHFFFAOYSA-N 1 2 245.286 1.512 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)CNc1cc(NC)nc[nH+]1 ZINC000892501471 582899169 /nfs/dbraw/zinc/89/91/69/582899169.db2.gz JCRSWYKUKKBCHA-SKDRFNHKSA-N 1 2 238.335 1.727 20 0 BDADLO Cc1cc(NCCNC(N)=O)nc(C2CCC2)[nH+]1 ZINC000892558703 582913559 /nfs/dbraw/zinc/91/35/59/582913559.db2.gz BWCGFKCKQUSGGV-UHFFFAOYSA-N 1 2 249.318 1.133 20 0 BDADLO O=C(N1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000725854230 582917185 /nfs/dbraw/zinc/91/71/85/582917185.db2.gz DAGXWSZBWODUEC-UHFFFAOYSA-N 1 2 248.330 1.805 20 0 BDADLO CCc1cc(N(C)Cc2nc[nH]n2)nc(CC)[nH+]1 ZINC000892623891 582932441 /nfs/dbraw/zinc/93/24/41/582932441.db2.gz RJEQSNBXOKLNML-UHFFFAOYSA-N 1 2 246.318 1.356 20 0 BDADLO CCc1cc(N(C)Cc2nnc[nH]2)nc(CC)[nH+]1 ZINC000892623891 582932444 /nfs/dbraw/zinc/93/24/44/582932444.db2.gz RJEQSNBXOKLNML-UHFFFAOYSA-N 1 2 246.318 1.356 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)C1CCCC1 ZINC000113975534 588863732 /nfs/dbraw/zinc/86/37/32/588863732.db2.gz WCFDEZVVPFPOCF-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO CC(C)[C@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892641478 582935547 /nfs/dbraw/zinc/93/55/47/582935547.db2.gz CANBBJZQIXAYOB-MWLCHTKSSA-N 1 2 224.304 1.564 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](CCO)C2CC2)[nH+]1 ZINC000892658316 582942583 /nfs/dbraw/zinc/94/25/83/582942583.db2.gz UJZCHJNPYBPHBW-CABZTGNLSA-N 1 2 236.315 1.708 20 0 BDADLO CNc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc[nH+]1 ZINC000892660876 582943696 /nfs/dbraw/zinc/94/36/96/582943696.db2.gz XCCPNDBUJKUJDF-AXTRIDKLSA-N 1 2 248.330 1.744 20 0 BDADLO CNc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[nH+]cn1 ZINC000892660876 582943698 /nfs/dbraw/zinc/94/36/98/582943698.db2.gz XCCPNDBUJKUJDF-AXTRIDKLSA-N 1 2 248.330 1.744 20 0 BDADLO CNc1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)nc[nH+]1 ZINC000892660878 582943881 /nfs/dbraw/zinc/94/38/81/582943881.db2.gz XCCPNDBUJKUJDF-GGZOMVNGSA-N 1 2 248.330 1.744 20 0 BDADLO CNc1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)[nH+]cn1 ZINC000892660878 582943882 /nfs/dbraw/zinc/94/38/82/582943882.db2.gz XCCPNDBUJKUJDF-GGZOMVNGSA-N 1 2 248.330 1.744 20 0 BDADLO COc1ccc(CN[C@@H]2CCC[N@H+](C)C2)o1 ZINC000892665971 582945494 /nfs/dbraw/zinc/94/54/94/582945494.db2.gz WUHDQWXNIHVNAV-SNVBAGLBSA-N 1 2 224.304 1.472 20 0 BDADLO COc1ccc(CN[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000892665971 582945496 /nfs/dbraw/zinc/94/54/96/582945496.db2.gz WUHDQWXNIHVNAV-SNVBAGLBSA-N 1 2 224.304 1.472 20 0 BDADLO CC1(C)CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000856335654 588867732 /nfs/dbraw/zinc/86/77/32/588867732.db2.gz FFWYPAGLDOURMB-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](NC(=O)c1ccc(F)nc1)c1[nH+]ccn1C ZINC000856277434 588866597 /nfs/dbraw/zinc/86/65/97/588866597.db2.gz JGLWBSHUIOCISG-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@@H](NC(=O)C1=CCCCO1)c1[nH+]ccn1C ZINC000856278210 588866700 /nfs/dbraw/zinc/86/67/00/588866700.db2.gz ZJCOEASUBREDQN-SECBINFHSA-N 1 2 235.287 1.292 20 0 BDADLO C[C@H](NC(=O)C1(F)CC1)c1[nH+]ccn1C ZINC000856280448 588866847 /nfs/dbraw/zinc/86/68/47/588866847.db2.gz RVQJXWOVRJGENC-ZETCQYMHSA-N 1 2 211.240 1.099 20 0 BDADLO C[C@@H](NC(=O)c1cccnc1F)c1[nH+]ccn1C ZINC000856279105 588866894 /nfs/dbraw/zinc/86/68/94/588866894.db2.gz BLMSTTDNRDDENY-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cnc(C2CC2)o1 ZINC000892780627 582980400 /nfs/dbraw/zinc/98/04/00/582980400.db2.gz SUDXSAHUOZWTJI-UHFFFAOYSA-N 1 2 247.254 1.643 20 0 BDADLO CCC(CC)([NH2+]C[C@@H]1CCC(=O)O1)C(=O)OC ZINC000851934095 582980861 /nfs/dbraw/zinc/98/08/61/582980861.db2.gz YDMDRFKEDOBMMI-VIFPVBQESA-N 1 2 243.303 1.013 20 0 BDADLO CN(C[C@@H]1CCOC1)c1nccn2c[nH+]cc12 ZINC000892823693 582989772 /nfs/dbraw/zinc/98/97/72/582989772.db2.gz NCVNOCSLYJDOKA-JTQLQIEISA-N 1 2 232.287 1.202 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cc(=O)[nH]c(C)n1 ZINC000892977882 583024025 /nfs/dbraw/zinc/02/40/25/583024025.db2.gz WVSARRMYFSHAGU-UHFFFAOYSA-N 1 2 244.298 1.849 20 0 BDADLO CNc1cc(N[C@H](CO)CC2CC2)nc[nH+]1 ZINC000892976804 583024119 /nfs/dbraw/zinc/02/41/19/583024119.db2.gz IJLLNIWEMAEBTA-VIFPVBQESA-N 1 2 222.292 1.091 20 0 BDADLO CNc1cc(N[C@H](CO)CC2CC2)[nH+]cn1 ZINC000892976804 583024120 /nfs/dbraw/zinc/02/41/20/583024120.db2.gz IJLLNIWEMAEBTA-VIFPVBQESA-N 1 2 222.292 1.091 20 0 BDADLO CNc1cc(N[C@@H](CO)CC2CC2)nc[nH+]1 ZINC000892976802 583024143 /nfs/dbraw/zinc/02/41/43/583024143.db2.gz IJLLNIWEMAEBTA-SECBINFHSA-N 1 2 222.292 1.091 20 0 BDADLO CNc1cc(N[C@@H](CO)CC2CC2)[nH+]cn1 ZINC000892976802 583024145 /nfs/dbraw/zinc/02/41/45/583024145.db2.gz IJLLNIWEMAEBTA-SECBINFHSA-N 1 2 222.292 1.091 20 0 BDADLO CC1=CCN(c2nc(N)[nH+]c(C(C)(C)C)n2)CC1 ZINC000892980192 583024625 /nfs/dbraw/zinc/02/46/25/583024625.db2.gz FCJQEYGEHBFOHS-UHFFFAOYSA-N 1 2 247.346 1.908 20 0 BDADLO CC1=CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892984097 583025462 /nfs/dbraw/zinc/02/54/62/583025462.db2.gz ZMLWXAMFASFXSA-UHFFFAOYSA-N 1 2 214.272 1.886 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@H]2CCOC2)[nH+]1 ZINC000893144635 583057078 /nfs/dbraw/zinc/05/70/78/583057078.db2.gz RYTAGDYQDJIJRJ-MNOVXSKESA-N 1 2 236.315 1.973 20 0 BDADLO CNc1cc(N2CCOCC3(CCC3)C2)nc[nH+]1 ZINC000893174673 583064473 /nfs/dbraw/zinc/06/44/73/583064473.db2.gz GOBWZECXZCFUTA-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO CNc1cc(N2CCOCC3(CCC3)C2)[nH+]cn1 ZINC000893174673 583064475 /nfs/dbraw/zinc/06/44/75/583064475.db2.gz GOBWZECXZCFUTA-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO COCCOC[C@@H](C)Nc1ccc[nH+]c1C ZINC000893197120 583070047 /nfs/dbraw/zinc/07/00/47/583070047.db2.gz DXDMYDFMHCJNTM-SNVBAGLBSA-N 1 2 224.304 1.853 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893231529 583074798 /nfs/dbraw/zinc/07/47/98/583074798.db2.gz VJQFFJTXQVZVTI-ANDSXOESSA-N 1 2 236.315 1.874 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H](O)C2(C)C)[nH+]cn1 ZINC000893267905 583081308 /nfs/dbraw/zinc/08/13/08/583081308.db2.gz YBXZVZYJXBUMSF-RKDXNWHRSA-N 1 2 236.319 1.114 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000893267905 583081310 /nfs/dbraw/zinc/08/13/10/583081310.db2.gz YBXZVZYJXBUMSF-RKDXNWHRSA-N 1 2 236.319 1.114 20 0 BDADLO C[C@@H](O)c1cccc(N2CCC[C@@H]2CCO)[nH+]1 ZINC000893274673 583082432 /nfs/dbraw/zinc/08/24/32/583082432.db2.gz QLLYSQUFIIXNNG-GHMZBOCLSA-N 1 2 236.315 1.486 20 0 BDADLO C[C@@H](O)c1cccc(N2CCC[C@H]2CCO)[nH+]1 ZINC000893274678 583082754 /nfs/dbraw/zinc/08/27/54/583082754.db2.gz QLLYSQUFIIXNNG-MNOVXSKESA-N 1 2 236.315 1.486 20 0 BDADLO CC[C@]1(O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893280587 583083704 /nfs/dbraw/zinc/08/37/04/583083704.db2.gz YTCDTHVFRKLLIU-LBPRGKRZSA-N 1 2 232.287 1.081 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cscn1 ZINC000855450390 583106142 /nfs/dbraw/zinc/10/61/42/583106142.db2.gz HQBJCXJAASMRJZ-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cn(C)nc2Cl)n1 ZINC000856776289 588877207 /nfs/dbraw/zinc/87/72/07/588877207.db2.gz PMUVKLHGDYPDLB-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)C(C)C ZINC000893518928 583156042 /nfs/dbraw/zinc/15/60/42/583156042.db2.gz OLKLIFLOGFHBHB-VIFPVBQESA-N 1 2 208.261 1.836 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@@H]1C[C@H]1C ZINC000893520420 583156078 /nfs/dbraw/zinc/15/60/78/583156078.db2.gz XDKDFRSORCKEOT-QNSHHTMESA-N 1 2 220.272 1.836 20 0 BDADLO CC[N@@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000893561713 583164204 /nfs/dbraw/zinc/16/42/04/583164204.db2.gz LKVAKDYAYFWDGB-UHFFFAOYSA-N 1 2 216.231 1.874 20 0 BDADLO CC[N@H+](Cc1cc[nH]c(=O)c1)CC(F)F ZINC000893561713 583164206 /nfs/dbraw/zinc/16/42/06/583164206.db2.gz LKVAKDYAYFWDGB-UHFFFAOYSA-N 1 2 216.231 1.874 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@@H](C3CC3)C2)nc[nH+]1 ZINC000893591005 583168481 /nfs/dbraw/zinc/16/84/81/583168481.db2.gz DHFUHGLSVJINNJ-GXSJLCMTSA-N 1 2 248.330 1.522 20 0 BDADLO CNc1cc(N2C[C@H](C)O[C@@H](C3CC3)C2)[nH+]cn1 ZINC000893591005 583168482 /nfs/dbraw/zinc/16/84/82/583168482.db2.gz DHFUHGLSVJINNJ-GXSJLCMTSA-N 1 2 248.330 1.522 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000857028253 588882891 /nfs/dbraw/zinc/88/28/91/588882891.db2.gz AWFDWYFMKVGTLD-CYBMUJFWSA-N 1 2 233.311 1.996 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000857028253 588882892 /nfs/dbraw/zinc/88/28/92/588882892.db2.gz AWFDWYFMKVGTLD-CYBMUJFWSA-N 1 2 233.311 1.996 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn(C)nc1Cl ZINC000857048923 588884075 /nfs/dbraw/zinc/88/40/75/588884075.db2.gz NWGYIBUTKZWYEG-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn(C)nc1Cl ZINC000857048923 588884077 /nfs/dbraw/zinc/88/40/77/588884077.db2.gz NWGYIBUTKZWYEG-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)c(C)o1 ZINC000840979515 583214563 /nfs/dbraw/zinc/21/45/63/583214563.db2.gz SQGHLWSMHLIQEV-ZWNOBZJWSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)c(C)o1 ZINC000840979515 583214565 /nfs/dbraw/zinc/21/45/65/583214565.db2.gz SQGHLWSMHLIQEV-ZWNOBZJWSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cc[nH]c(=O)c2)n1 ZINC000893972341 583264656 /nfs/dbraw/zinc/26/46/56/583264656.db2.gz JRTWLASDXUMUCE-ZETCQYMHSA-N 1 2 234.259 1.329 20 0 BDADLO CC(C)c1c[nH]c(CN2CCn3cnnc3C2)[nH+]1 ZINC000894011748 583272720 /nfs/dbraw/zinc/27/27/20/583272720.db2.gz CSZKTCIWEIQNKP-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CNc1cc(NCc2nnc(C3CC3)[nH]2)nc[nH+]1 ZINC000894030730 583277658 /nfs/dbraw/zinc/27/76/58/583277658.db2.gz YXVFAHFNILBZBN-UHFFFAOYSA-N 1 2 245.290 1.126 20 0 BDADLO CNc1cc(NCc2nnc(C3CC3)[nH]2)[nH+]cn1 ZINC000894030730 583277661 /nfs/dbraw/zinc/27/76/61/583277661.db2.gz YXVFAHFNILBZBN-UHFFFAOYSA-N 1 2 245.290 1.126 20 0 BDADLO C[C@@H](CCCCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000894037058 583289345 /nfs/dbraw/zinc/28/93/45/583289345.db2.gz VIEJAXFTNHHPPY-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO C[C@@H](CCCCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000894037058 583289342 /nfs/dbraw/zinc/28/93/42/583289342.db2.gz VIEJAXFTNHHPPY-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1nccn1C1CC1 ZINC000894091035 583299553 /nfs/dbraw/zinc/29/95/53/583299553.db2.gz PGRMOFPGGHXHAU-UHFFFAOYSA-N 1 2 231.303 1.573 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337459 583310223 /nfs/dbraw/zinc/31/02/23/583310223.db2.gz YAVQPWAXFMZPHK-LBQOUHFTSA-N 1 2 233.315 1.670 20 0 BDADLO CNc1cc(N[C@@H](C)c2ccn(C)n2)nc[nH+]1 ZINC000894168221 583324554 /nfs/dbraw/zinc/32/45/54/583324554.db2.gz QVFWFBXUUIMMRY-QMMMGPOBSA-N 1 2 232.291 1.425 20 0 BDADLO CNc1cc(N[C@@H](C)c2ccn(C)n2)[nH+]cn1 ZINC000894168221 583324555 /nfs/dbraw/zinc/32/45/55/583324555.db2.gz QVFWFBXUUIMMRY-QMMMGPOBSA-N 1 2 232.291 1.425 20 0 BDADLO CCc1cc(N2CC=CC2)nc(CC)[nH+]1 ZINC000894179141 583328672 /nfs/dbraw/zinc/32/86/72/583328672.db2.gz UPQVEGWONBXCGI-UHFFFAOYSA-N 1 2 203.289 1.978 20 0 BDADLO Cc1cc(NC[C@H]2COCO2)nc(C2CCC2)[nH+]1 ZINC000894178308 583328736 /nfs/dbraw/zinc/32/87/36/583328736.db2.gz LQMLYYAICKDNPO-NSHDSACASA-N 1 2 249.314 1.837 20 0 BDADLO C[N@H+](CC1=CCCOC1)[C@@H]1CC(C)(C)OC1=O ZINC000814180510 583343886 /nfs/dbraw/zinc/34/38/86/583343886.db2.gz PWIMLEADOSCXFP-LLVKDONJSA-N 1 2 239.315 1.359 20 0 BDADLO C[N@@H+](CC1=CCCOC1)[C@@H]1CC(C)(C)OC1=O ZINC000814180510 583343888 /nfs/dbraw/zinc/34/38/88/583343888.db2.gz PWIMLEADOSCXFP-LLVKDONJSA-N 1 2 239.315 1.359 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCC2=O)[C@H](CC)CO1 ZINC000857235823 588900232 /nfs/dbraw/zinc/90/02/32/588900232.db2.gz AWFRBHHVDADGPN-GHMZBOCLSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCC2=O)[C@H](CC)CO1 ZINC000857235823 588900233 /nfs/dbraw/zinc/90/02/33/588900233.db2.gz AWFRBHHVDADGPN-GHMZBOCLSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1CN1CCC1=O ZINC000857237637 588901066 /nfs/dbraw/zinc/90/10/66/588901066.db2.gz YEAZXLCAYZURMY-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1CN1CCC1=O ZINC000857237637 588901067 /nfs/dbraw/zinc/90/10/67/588901067.db2.gz YEAZXLCAYZURMY-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO COc1ccc(CNc2ccc(CO)c[nH+]2)o1 ZINC000894225846 583383605 /nfs/dbraw/zinc/38/36/05/583383605.db2.gz FPWKFTANBHFVNJ-UHFFFAOYSA-N 1 2 234.255 1.788 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000894278213 583407108 /nfs/dbraw/zinc/40/71/08/583407108.db2.gz CEQFOQBTJUUYFS-UHFFFAOYSA-N 1 2 223.272 1.653 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000894278213 583407110 /nfs/dbraw/zinc/40/71/10/583407110.db2.gz CEQFOQBTJUUYFS-UHFFFAOYSA-N 1 2 223.272 1.653 20 0 BDADLO c1cn2cc(C[N@@H+]3CCOCC34CC4)sc2n1 ZINC000894279170 583407550 /nfs/dbraw/zinc/40/75/50/583407550.db2.gz NOGFELMYGBXYGY-UHFFFAOYSA-N 1 2 249.339 1.761 20 0 BDADLO c1cn2cc(C[N@H+]3CCOCC34CC4)sc2n1 ZINC000894279170 583407552 /nfs/dbraw/zinc/40/75/52/583407552.db2.gz NOGFELMYGBXYGY-UHFFFAOYSA-N 1 2 249.339 1.761 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3OCC[C@@H]3C2)nc[nH+]1 ZINC000894348276 583432028 /nfs/dbraw/zinc/43/20/28/583432028.db2.gz CTSFYBNZUWOBMW-MNOVXSKESA-N 1 2 248.330 1.158 20 0 BDADLO CN(C)c1cc(N2CC[C@@H]3OCC[C@@H]3C2)[nH+]cn1 ZINC000894348276 583432030 /nfs/dbraw/zinc/43/20/30/583432030.db2.gz CTSFYBNZUWOBMW-MNOVXSKESA-N 1 2 248.330 1.158 20 0 BDADLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000894368084 583439774 /nfs/dbraw/zinc/43/97/74/583439774.db2.gz JLPXZROZKRBXEV-AWEZNQCLSA-N 1 2 242.326 1.686 20 0 BDADLO CNc1cc(N2CC[C@]3(CC3(F)F)C2)nc[nH+]1 ZINC000894408983 583450510 /nfs/dbraw/zinc/45/05/10/583450510.db2.gz YZAYURBEFOFGPQ-JTQLQIEISA-N 1 2 240.257 1.754 20 0 BDADLO CNc1cc(N2CC[C@]3(CC3(F)F)C2)[nH+]cn1 ZINC000894408983 583450513 /nfs/dbraw/zinc/45/05/13/583450513.db2.gz YZAYURBEFOFGPQ-JTQLQIEISA-N 1 2 240.257 1.754 20 0 BDADLO Cc1ncoc1C[NH2+][C@H](CCO)c1ccco1 ZINC000894475188 583469669 /nfs/dbraw/zinc/46/96/69/583469669.db2.gz LMKSNTYOXXAOKI-SNVBAGLBSA-N 1 2 236.271 1.789 20 0 BDADLO Cc1ncoc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000894478408 583470079 /nfs/dbraw/zinc/47/00/79/583470079.db2.gz FEBNSOWKOZIMOB-JTQLQIEISA-N 1 2 238.312 1.868 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1C ZINC000894497696 583472344 /nfs/dbraw/zinc/47/23/44/583472344.db2.gz PCHAVBFTBNIJDW-PRHODGIISA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1C ZINC000894497696 583472347 /nfs/dbraw/zinc/47/23/47/583472347.db2.gz PCHAVBFTBNIJDW-PRHODGIISA-N 1 2 223.320 1.229 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000894497469 583473187 /nfs/dbraw/zinc/47/31/87/583473187.db2.gz LYTFCMFFCBCBKA-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1ncoc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000894497469 583473188 /nfs/dbraw/zinc/47/31/88/583473188.db2.gz LYTFCMFFCBCBKA-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO C[C@@H]1C[N@H+](CCNc2nccs2)[C@H](C)CO1 ZINC000894521949 583476580 /nfs/dbraw/zinc/47/65/80/583476580.db2.gz WIWOTYGLTKUJSO-NXEZZACHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H]1C[N@@H+](CCNc2nccs2)[C@H](C)CO1 ZINC000894521949 583476582 /nfs/dbraw/zinc/47/65/82/583476582.db2.gz WIWOTYGLTKUJSO-NXEZZACHSA-N 1 2 241.360 1.664 20 0 BDADLO CCO[C@H]1C[C@H](Nc2cc(NC)nc[nH+]2)C1 ZINC000894525415 583477858 /nfs/dbraw/zinc/47/78/58/583477858.db2.gz BQYYGPILVZZSHG-KYZUINATSA-N 1 2 222.292 1.498 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2n[nH]c(C)c2C)CC[C@@H]1C ZINC000894532966 583478484 /nfs/dbraw/zinc/47/84/84/583478484.db2.gz LRMZXMPEPYXBFO-TVQRCGJNSA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2n[nH]c(C)c2C)CC[C@@H]1C ZINC000894532966 583478487 /nfs/dbraw/zinc/47/84/87/583478487.db2.gz LRMZXMPEPYXBFO-TVQRCGJNSA-N 1 2 237.347 1.883 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2ocnc2C)CCO1 ZINC000894532905 583478694 /nfs/dbraw/zinc/47/86/94/583478694.db2.gz JSZXBVOHNMAWDT-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2ocnc2C)CCO1 ZINC000894532905 583478695 /nfs/dbraw/zinc/47/86/95/583478695.db2.gz JSZXBVOHNMAWDT-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000894538797 583480206 /nfs/dbraw/zinc/48/02/06/583480206.db2.gz MAVPNGLHKJJVSV-NXEZZACHSA-N 1 2 223.320 1.488 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H](O)C[C@H]2C)n1 ZINC000894538797 583480210 /nfs/dbraw/zinc/48/02/10/583480210.db2.gz MAVPNGLHKJJVSV-NXEZZACHSA-N 1 2 223.320 1.488 20 0 BDADLO Cc1coc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c1 ZINC000894551689 583482387 /nfs/dbraw/zinc/48/23/87/583482387.db2.gz OAHMNOCQEFQBAF-GHMZBOCLSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000894566484 583484428 /nfs/dbraw/zinc/48/44/28/583484428.db2.gz KUNZLUWVBSYSBS-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000894566484 583484432 /nfs/dbraw/zinc/48/44/32/583484432.db2.gz KUNZLUWVBSYSBS-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H](O)C23CCC3)[nH+]cn1 ZINC000894576994 583487448 /nfs/dbraw/zinc/48/74/48/583487448.db2.gz MZLULSYDYZWVRK-ZJUUUORDSA-N 1 2 248.330 1.258 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000894576994 583487449 /nfs/dbraw/zinc/48/74/49/583487449.db2.gz MZLULSYDYZWVRK-ZJUUUORDSA-N 1 2 248.330 1.258 20 0 BDADLO c1[nH]c(CN2CCCc3n[nH]cc32)c[nH+]1 ZINC000894589852 583487834 /nfs/dbraw/zinc/48/78/34/583487834.db2.gz JKBACMYRWVDURW-UHFFFAOYSA-N 1 2 203.249 1.086 20 0 BDADLO c1[nH]cc(CN2CCCc3n[nH]cc32)[nH+]1 ZINC000894589852 583487835 /nfs/dbraw/zinc/48/78/35/583487835.db2.gz JKBACMYRWVDURW-UHFFFAOYSA-N 1 2 203.249 1.086 20 0 BDADLO Cc1c(F)nccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894586864 583489276 /nfs/dbraw/zinc/48/92/76/583489276.db2.gz KELAVHJRSYBTKQ-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc2c(n1)CCC2 ZINC000894586151 583489376 /nfs/dbraw/zinc/48/93/76/583489376.db2.gz AHAGWLLRAUXMMW-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO Cc1ncoc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000894597084 583492601 /nfs/dbraw/zinc/49/26/01/583492601.db2.gz USIWHTDGCDXKCX-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1ncoc1C[N@H+](C)Cc1cnn(C)c1C ZINC000894597084 583492603 /nfs/dbraw/zinc/49/26/03/583492603.db2.gz USIWHTDGCDXKCX-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2C[C@H](O)C2)[nH+]1 ZINC000894640627 583499235 /nfs/dbraw/zinc/49/92/35/583499235.db2.gz GOUMVFGOMXKABK-CIUDSAMLSA-N 1 2 208.261 1.070 20 0 BDADLO CN(C[C@H]1CC1(C)C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000894651901 583499932 /nfs/dbraw/zinc/49/99/32/583499932.db2.gz VHVKHUHQBVMZTK-SECBINFHSA-N 1 2 247.346 1.814 20 0 BDADLO CN(C[C@H]1CC1(C)C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000894651901 583499941 /nfs/dbraw/zinc/49/99/41/583499941.db2.gz VHVKHUHQBVMZTK-SECBINFHSA-N 1 2 247.346 1.814 20 0 BDADLO Cc1coc(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000894670544 583503479 /nfs/dbraw/zinc/50/34/79/583503479.db2.gz KKXJMLVIKCIHKG-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1coc(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000894670544 583503480 /nfs/dbraw/zinc/50/34/80/583503480.db2.gz KKXJMLVIKCIHKG-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cccc([C@@H](C)O)[nH+]2)C1 ZINC000894676351 583504096 /nfs/dbraw/zinc/50/40/96/583504096.db2.gz NBMVEJDKIKAATE-MWLCHTKSSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1CO ZINC000894677482 583504106 /nfs/dbraw/zinc/50/41/06/583504106.db2.gz SESMIJMWQZPVPJ-QWRGUYRKSA-N 1 2 246.314 1.184 20 0 BDADLO CC(C)[N@H+](Cc1c2c(nn1C)CCC2)C1COC1 ZINC000894659302 583504350 /nfs/dbraw/zinc/50/43/50/583504350.db2.gz QTBCSKGGOBCDEL-UHFFFAOYSA-N 1 2 249.358 1.518 20 0 BDADLO CC(C)[N@@H+](Cc1c2c(nn1C)CCC2)C1COC1 ZINC000894659302 583504353 /nfs/dbraw/zinc/50/43/53/583504353.db2.gz QTBCSKGGOBCDEL-UHFFFAOYSA-N 1 2 249.358 1.518 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880236573 583504957 /nfs/dbraw/zinc/50/49/57/583504957.db2.gz BPWUEOUSTUXUDQ-SNVBAGLBSA-N 1 2 244.289 1.429 20 0 BDADLO FCCn1ncnc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880236573 583504960 /nfs/dbraw/zinc/50/49/60/583504960.db2.gz BPWUEOUSTUXUDQ-SNVBAGLBSA-N 1 2 244.289 1.429 20 0 BDADLO C[C@H](O)c1cccc(NC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000894775678 583518578 /nfs/dbraw/zinc/51/85/78/583518578.db2.gz PVNHXKGGKVZUNX-LPEHRKFASA-N 1 2 222.288 1.318 20 0 BDADLO CN(C)c1cc(N[C@H]2CO[C@H](C3CC3)C2)[nH+]cn1 ZINC000894778503 583519967 /nfs/dbraw/zinc/51/99/67/583519967.db2.gz QKQBBRUZLRABOV-MNOVXSKESA-N 1 2 248.330 1.522 20 0 BDADLO CN(C)c1cc(N[C@H]2CO[C@H](C3CC3)C2)nc[nH+]1 ZINC000894778503 583519969 /nfs/dbraw/zinc/51/99/69/583519969.db2.gz QKQBBRUZLRABOV-MNOVXSKESA-N 1 2 248.330 1.522 20 0 BDADLO COCc1nccc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000894791064 583520579 /nfs/dbraw/zinc/52/05/79/583520579.db2.gz RVQVZWUGSSRDOO-UHFFFAOYSA-N 1 2 233.275 1.267 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894780877 583520791 /nfs/dbraw/zinc/52/07/91/583520791.db2.gz LCOQUELZBDLASL-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1C ZINC000894814839 583524391 /nfs/dbraw/zinc/52/43/91/583524391.db2.gz KQGDOOKGGVNAPJ-LLVKDONJSA-N 1 2 223.320 1.372 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](O)C2(C)C)c1C ZINC000894814839 583524392 /nfs/dbraw/zinc/52/43/92/583524392.db2.gz KQGDOOKGGVNAPJ-LLVKDONJSA-N 1 2 223.320 1.372 20 0 BDADLO CCOC1CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894819630 583524735 /nfs/dbraw/zinc/52/47/35/583524735.db2.gz MZOQLZSVQRPNFI-UHFFFAOYSA-N 1 2 221.304 1.439 20 0 BDADLO OC[C@@H]1Cc2ccccc2N(Cc2c[nH+]c[nH]2)C1 ZINC000894821609 583525399 /nfs/dbraw/zinc/52/53/99/583525399.db2.gz QZAKDQILVBGJRN-LLVKDONJSA-N 1 2 243.310 1.581 20 0 BDADLO OC[C@@H]1Cc2ccccc2N(Cc2c[nH]c[nH+]2)C1 ZINC000894821609 583525401 /nfs/dbraw/zinc/52/54/01/583525401.db2.gz QZAKDQILVBGJRN-LLVKDONJSA-N 1 2 243.310 1.581 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000894861987 583535702 /nfs/dbraw/zinc/53/57/02/583535702.db2.gz QPNDNRZZJAPLJU-NXEZZACHSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@@H](C)[C@H]2C)nn1 ZINC000894861987 583535703 /nfs/dbraw/zinc/53/57/03/583535703.db2.gz QPNDNRZZJAPLJU-NXEZZACHSA-N 1 2 208.309 1.528 20 0 BDADLO COC(=O)c1cc(C[NH2+]C(CF)CF)cs1 ZINC000894871761 583540419 /nfs/dbraw/zinc/54/04/19/583540419.db2.gz BSKGQAWOMKFWIE-UHFFFAOYSA-N 1 2 249.282 1.932 20 0 BDADLO CCNc1cc(CNc2ncccn2)cc[nH+]1 ZINC000894874331 583540998 /nfs/dbraw/zinc/54/09/98/583540998.db2.gz XKILYWIMFDXURA-UHFFFAOYSA-N 1 2 229.287 1.916 20 0 BDADLO Oc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1F ZINC000894888774 583547487 /nfs/dbraw/zinc/54/74/87/583547487.db2.gz UVKNHULOGPJACE-JTQLQIEISA-N 1 2 243.253 1.702 20 0 BDADLO Oc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1F ZINC000894888774 583547489 /nfs/dbraw/zinc/54/74/89/583547489.db2.gz UVKNHULOGPJACE-JTQLQIEISA-N 1 2 243.253 1.702 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000141034644 583548177 /nfs/dbraw/zinc/54/81/77/583548177.db2.gz HVWXTOXKIRRIOL-CDAZIORVSA-N 1 2 245.286 1.034 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](CCCO)C2)c1C ZINC000894957571 583559067 /nfs/dbraw/zinc/55/90/67/583559067.db2.gz NGADRJTZBACOSB-LBPRGKRZSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](CCCO)C2)c1C ZINC000894957571 583559068 /nfs/dbraw/zinc/55/90/68/583559068.db2.gz NGADRJTZBACOSB-LBPRGKRZSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1coc(C[N@H+]2CCN(CCO)C[C@H]2C)c1 ZINC000894959857 583559453 /nfs/dbraw/zinc/55/94/53/583559453.db2.gz VPXJQWAIQQPNDA-GFCCVEGCSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1coc(C[N@@H+]2CCN(CCO)C[C@H]2C)c1 ZINC000894959857 583559455 /nfs/dbraw/zinc/55/94/55/583559455.db2.gz VPXJQWAIQQPNDA-GFCCVEGCSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1ccnc(N)c1C[NH+]1CC(C(F)F)C1 ZINC000894977020 583563519 /nfs/dbraw/zinc/56/35/19/583563519.db2.gz QSRGOPJLPXYJIV-UHFFFAOYSA-N 1 2 227.258 1.669 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000894987419 583565154 /nfs/dbraw/zinc/56/51/54/583565154.db2.gz PQPZSGLJTNNALH-VIFPVBQESA-N 1 2 214.240 1.153 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000894987419 583565155 /nfs/dbraw/zinc/56/51/55/583565155.db2.gz PQPZSGLJTNNALH-VIFPVBQESA-N 1 2 214.240 1.153 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@H](C)CCO)C(=O)OC ZINC000895085274 583584254 /nfs/dbraw/zinc/58/42/54/583584254.db2.gz GXNHJFYWIHVVRB-HBNTYKKESA-N 1 2 231.336 1.325 20 0 BDADLO Cc1ccoc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895111899 583591010 /nfs/dbraw/zinc/59/10/10/583591010.db2.gz BALNCMZLNWIPOB-GARJFASQSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccoc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895111899 583591011 /nfs/dbraw/zinc/59/10/11/583591011.db2.gz BALNCMZLNWIPOB-GARJFASQSA-N 1 2 236.315 1.685 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccsc1 ZINC000895113228 583591030 /nfs/dbraw/zinc/59/10/30/583591030.db2.gz HQUDAGPCCQDTGS-IVZWLZJFSA-N 1 2 238.356 1.845 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccsc1 ZINC000895113228 583591031 /nfs/dbraw/zinc/59/10/31/583591031.db2.gz HQUDAGPCCQDTGS-IVZWLZJFSA-N 1 2 238.356 1.845 20 0 BDADLO Cc1ccoc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895111900 583591162 /nfs/dbraw/zinc/59/11/62/583591162.db2.gz BALNCMZLNWIPOB-GMTAPVOTSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccoc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895111900 583591163 /nfs/dbraw/zinc/59/11/63/583591163.db2.gz BALNCMZLNWIPOB-GMTAPVOTSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)o1 ZINC000895114549 583591708 /nfs/dbraw/zinc/59/17/08/583591708.db2.gz MONPYARXOMRCJG-HBNTYKKESA-N 1 2 236.315 1.685 20 0 BDADLO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)o1 ZINC000895114549 583591710 /nfs/dbraw/zinc/59/17/10/583591710.db2.gz MONPYARXOMRCJG-HBNTYKKESA-N 1 2 236.315 1.685 20 0 BDADLO CN(C)c1cc(N2CCC(F)CC2)nc[nH+]1 ZINC000895132576 583600901 /nfs/dbraw/zinc/60/09/01/583600901.db2.gz VZJMLRJDGUNRGU-UHFFFAOYSA-N 1 2 224.283 1.481 20 0 BDADLO CN(C)c1cc(N2CCC(F)CC2)[nH+]cn1 ZINC000895132576 583600902 /nfs/dbraw/zinc/60/09/02/583600902.db2.gz VZJMLRJDGUNRGU-UHFFFAOYSA-N 1 2 224.283 1.481 20 0 BDADLO Cc1[nH+]cnc(NC[C@]2(O)CCO[C@@H]2C)c1C ZINC000882281504 583603578 /nfs/dbraw/zinc/60/35/78/583603578.db2.gz GOSNIIYALHCRQV-ZYHUDNBSSA-N 1 2 237.303 1.045 20 0 BDADLO C[C@@H]([NH2+][C@H](C)C1N=NC(=O)N1C)c1ccccn1 ZINC000895174862 583614718 /nfs/dbraw/zinc/61/47/18/583614718.db2.gz HRXGBRKUWMYUEK-RKDXNWHRSA-N 1 2 247.302 1.328 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+][C@@H]1CCCc3cn[nH]c31)CC2 ZINC000857868188 588916959 /nfs/dbraw/zinc/91/69/59/588916959.db2.gz QLNODJFHXDIEEG-MNOVXSKESA-N 1 2 243.314 1.718 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccn(C)n1 ZINC000857870226 588917519 /nfs/dbraw/zinc/91/75/19/588917519.db2.gz UZUFXYBBXQOYTH-CABZTGNLSA-N 1 2 245.330 1.871 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccn(C)n1 ZINC000857870226 588917521 /nfs/dbraw/zinc/91/75/21/588917521.db2.gz UZUFXYBBXQOYTH-CABZTGNLSA-N 1 2 245.330 1.871 20 0 BDADLO CCOC(=O)c1n[nH]c([C@H](C)[NH2+]CC(C)C)n1 ZINC000895236451 583630082 /nfs/dbraw/zinc/63/00/82/583630082.db2.gz RYMRWKHWYVDYIT-QMMMGPOBSA-N 1 2 240.307 1.288 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH2+]Cc1cnc[nH]1 ZINC000895271319 583634878 /nfs/dbraw/zinc/63/48/78/583634878.db2.gz BDMKTWWWGBWJIS-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO CC(C)c1c[nH]c(CN2Cc3cnn(C)c3C2)[nH+]1 ZINC000895282220 583635849 /nfs/dbraw/zinc/63/58/49/583635849.db2.gz IRCSWFYRSYFPHL-UHFFFAOYSA-N 1 2 245.330 1.782 20 0 BDADLO O=C1OCCN1CCC[N@@H+]1Cc2ccncc2C1 ZINC000857875075 588918132 /nfs/dbraw/zinc/91/81/32/588918132.db2.gz FZSLNGXUVAXTHD-UHFFFAOYSA-N 1 2 247.298 1.240 20 0 BDADLO O=C1OCCN1CCC[N@H+]1Cc2ccncc2C1 ZINC000857875075 588918134 /nfs/dbraw/zinc/91/81/34/588918134.db2.gz FZSLNGXUVAXTHD-UHFFFAOYSA-N 1 2 247.298 1.240 20 0 BDADLO CSC1(C[N@H+](C)C2CS(=O)(=O)C2)CCC1 ZINC000895397999 583665246 /nfs/dbraw/zinc/66/52/46/583665246.db2.gz LYAMEHZGBSMQRI-UHFFFAOYSA-N 1 2 249.401 1.001 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2cc[nH]c(=O)c2)o1 ZINC000895353296 583657589 /nfs/dbraw/zinc/65/75/89/583657589.db2.gz SIEJQEWRQDOKPG-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2cc[nH]c(=O)c2)o1 ZINC000895353296 583657591 /nfs/dbraw/zinc/65/75/91/583657591.db2.gz SIEJQEWRQDOKPG-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO CSC1(C[N@@H+](C)C2CS(=O)(=O)C2)CCC1 ZINC000895397999 583665249 /nfs/dbraw/zinc/66/52/49/583665249.db2.gz LYAMEHZGBSMQRI-UHFFFAOYSA-N 1 2 249.401 1.001 20 0 BDADLO COCC[N@H+](CCF)Cc1cnc(F)c(C)c1 ZINC000895356340 583658945 /nfs/dbraw/zinc/65/89/45/583658945.db2.gz VQKSBPIJSUXGJK-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnc(F)c(C)c1 ZINC000895356340 583658946 /nfs/dbraw/zinc/65/89/46/583658946.db2.gz VQKSBPIJSUXGJK-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO C[N@H+](CCC(C)(C)C)C1CS(=O)(=O)C1 ZINC000895397736 583665513 /nfs/dbraw/zinc/66/55/13/583665513.db2.gz KMDWAHOIWIEOFQ-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO C[N@@H+](CCC(C)(C)C)C1CS(=O)(=O)C1 ZINC000895397736 583665516 /nfs/dbraw/zinc/66/55/16/583665516.db2.gz KMDWAHOIWIEOFQ-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1CCC[C@@H]1CCO1 ZINC000895431879 583670755 /nfs/dbraw/zinc/67/07/55/583670755.db2.gz RPWQNHAZJRRXOI-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1CCC[C@@H]1CCO1 ZINC000895431879 583670757 /nfs/dbraw/zinc/67/07/57/583670757.db2.gz RPWQNHAZJRRXOI-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO CN(C)c1cncc(NCc2c[nH+]c[nH]2)c1 ZINC000895419231 583667240 /nfs/dbraw/zinc/66/72/40/583667240.db2.gz UJERKVIFGSZYHL-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO Cc1nnc(C[NH2+]C[C@H]2CC(C)=NO2)s1 ZINC000895429158 583668699 /nfs/dbraw/zinc/66/86/99/583668699.db2.gz KNHKMPSXSQGPEF-MRVPVSSYSA-N 1 2 226.305 1.101 20 0 BDADLO O=C(/C=C\C1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884940 588920451 /nfs/dbraw/zinc/92/04/51/588920451.db2.gz MXKYUJLBCHUCQV-FOQNGQEVSA-N 1 2 245.326 1.670 20 0 BDADLO CC(C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895424040 583673913 /nfs/dbraw/zinc/67/39/13/583673913.db2.gz LAZYTPCYPJSBBC-LLVKDONJSA-N 1 2 236.319 1.315 20 0 BDADLO CC(C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895424040 583673914 /nfs/dbraw/zinc/67/39/14/583673914.db2.gz LAZYTPCYPJSBBC-LLVKDONJSA-N 1 2 236.319 1.315 20 0 BDADLO CC(C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895424040 583673915 /nfs/dbraw/zinc/67/39/15/583673915.db2.gz LAZYTPCYPJSBBC-LLVKDONJSA-N 1 2 236.319 1.315 20 0 BDADLO CC(C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000895424040 583673916 /nfs/dbraw/zinc/67/39/16/583673916.db2.gz LAZYTPCYPJSBBC-LLVKDONJSA-N 1 2 236.319 1.315 20 0 BDADLO FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1c[nH]cn1 ZINC000895449621 583675910 /nfs/dbraw/zinc/67/59/10/583675910.db2.gz LZWAKWGHKFUEON-RNFRBKRXSA-N 1 2 205.183 1.450 20 0 BDADLO Cc1nnc(NCc2cc(N(C)C)cc[nH+]2)o1 ZINC000895471401 583679972 /nfs/dbraw/zinc/67/99/72/583679972.db2.gz OMQFBZRHPOTKHY-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887568 588921278 /nfs/dbraw/zinc/92/12/78/588921278.db2.gz MKEHPDMYHIIKDP-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1F ZINC000895541045 583688038 /nfs/dbraw/zinc/68/80/38/583688038.db2.gz NHXATWRIBZBKOL-UHFFFAOYSA-N 1 2 247.273 1.813 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1F ZINC000895541045 583688039 /nfs/dbraw/zinc/68/80/39/583688039.db2.gz NHXATWRIBZBKOL-UHFFFAOYSA-N 1 2 247.273 1.813 20 0 BDADLO C[C@@H](CC(=O)N1CCn2ccnc21)n1cc[nH+]c1 ZINC000857904287 588922613 /nfs/dbraw/zinc/92/26/13/588922613.db2.gz ZQEOBMITWBDIGX-JTQLQIEISA-N 1 2 245.286 1.078 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C2CC2)CC1 ZINC000895703271 583709817 /nfs/dbraw/zinc/70/98/17/583709817.db2.gz CMSDNPVJROYJJJ-SNVBAGLBSA-N 1 2 233.315 1.578 20 0 BDADLO C[C@H](CCO)Nc1c[nH+]cc(N(C)C)c1 ZINC000895698296 583710776 /nfs/dbraw/zinc/71/07/76/583710776.db2.gz AVNXORBPCLQMPD-SECBINFHSA-N 1 2 209.293 1.330 20 0 BDADLO CC1([NH2+]Cc2nccn2C2CC2)COC1 ZINC000895752637 583720131 /nfs/dbraw/zinc/72/01/31/583720131.db2.gz CELVJCHXKMRGNL-UHFFFAOYSA-N 1 2 207.277 1.097 20 0 BDADLO COc1nccc(C[NH2+]C2(C)COC2)c1F ZINC000895755379 583720731 /nfs/dbraw/zinc/72/07/31/583720731.db2.gz VWGDJVCCPMLEDC-UHFFFAOYSA-N 1 2 226.251 1.108 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000895808905 583729640 /nfs/dbraw/zinc/72/96/40/583729640.db2.gz WSPSLOTUKOVEEY-ZDUSSCGKSA-N 1 2 242.278 1.640 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)Nc1ncc(C)o1 ZINC000895801654 583730849 /nfs/dbraw/zinc/73/08/49/583730849.db2.gz SAXZSZCBBMIGTE-LLVKDONJSA-N 1 2 239.319 1.506 20 0 BDADLO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCOC1=O ZINC000895803640 583731411 /nfs/dbraw/zinc/73/14/11/583731411.db2.gz JJESILTZQJENSS-ONGXEEELSA-N 1 2 239.340 1.974 20 0 BDADLO COC(=O)C1(O)C[NH+](CCCCC(C)C)C1 ZINC000895868342 583738454 /nfs/dbraw/zinc/73/84/54/583738454.db2.gz BTLUEKJQFWEQHF-UHFFFAOYSA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857961829 588925668 /nfs/dbraw/zinc/92/56/68/588925668.db2.gz GTUNPXZXZVTPCZ-MALLOTDXSA-N 1 2 247.342 1.916 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857961828 588925686 /nfs/dbraw/zinc/92/56/86/588925686.db2.gz GTUNPXZXZVTPCZ-DUMNWFOQSA-N 1 2 247.342 1.916 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2CC(C)(C)C2)c1 ZINC000895893151 583740413 /nfs/dbraw/zinc/74/04/13/583740413.db2.gz NBJYMORVEFHEIB-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857961831 588925786 /nfs/dbraw/zinc/92/57/86/588925786.db2.gz GTUNPXZXZVTPCZ-VLWUPBBWSA-N 1 2 247.342 1.916 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)C[C@H]2C[C@H]2C1 ZINC000857976102 588926104 /nfs/dbraw/zinc/92/61/04/588926104.db2.gz XNASYEUHOORONQ-DEKYYXRVSA-N 1 2 245.326 1.880 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCCO1 ZINC000857976211 588926284 /nfs/dbraw/zinc/92/62/84/588926284.db2.gz ACFJDMPYVZRPEY-GXFFZTMASA-N 1 2 249.314 1.403 20 0 BDADLO Cc1cc(N2CCC[C@H]2c2ncccn2)nc[nH+]1 ZINC000895945160 583751067 /nfs/dbraw/zinc/75/10/67/583751067.db2.gz QRSNVQDKXJTDOL-NSHDSACASA-N 1 2 241.298 1.917 20 0 BDADLO C=Cn1cc(C[NH+]2CC(OC(C)C)C2)cn1 ZINC000895954752 583751947 /nfs/dbraw/zinc/75/19/47/583751947.db2.gz FARUHDRMCHPJFJ-UHFFFAOYSA-N 1 2 221.304 1.593 20 0 BDADLO CC(C)OC1C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC000895956356 583752610 /nfs/dbraw/zinc/75/26/10/583752610.db2.gz KSJZCYMEOKJTTA-NSHDSACASA-N 1 2 229.320 1.247 20 0 BDADLO Cc1nc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)o1 ZINC000857977354 588926663 /nfs/dbraw/zinc/92/66/63/588926663.db2.gz CPRLWAXCILLZQO-SECBINFHSA-N 1 2 246.270 1.363 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977770 588926811 /nfs/dbraw/zinc/92/68/11/588926811.db2.gz HDBKNYGIZSREES-RZCNENHTSA-N 1 2 219.288 1.800 20 0 BDADLO CO[C@H]1C[N@H+](Cc2sccc2C)CCO1 ZINC000895971564 583756461 /nfs/dbraw/zinc/75/64/61/583756461.db2.gz YUYISPHMCRHULS-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2sccc2C)CCO1 ZINC000895971564 583756462 /nfs/dbraw/zinc/75/64/62/583756462.db2.gz YUYISPHMCRHULS-LLVKDONJSA-N 1 2 227.329 1.861 20 0 BDADLO C/C=C(/CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977766 588926880 /nfs/dbraw/zinc/92/68/80/588926880.db2.gz HDBKNYGIZSREES-KSXVILFYSA-N 1 2 219.288 1.800 20 0 BDADLO COCC1C[NH+](Cc2nnc(C(C)C)s2)C1 ZINC000895974535 583756937 /nfs/dbraw/zinc/75/69/37/583756937.db2.gz GHNIWKUXUMGXOL-UHFFFAOYSA-N 1 2 241.360 1.740 20 0 BDADLO Cc1cnccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977092 588926954 /nfs/dbraw/zinc/92/69/54/588926954.db2.gz RQYDNDFKPCUKMA-NSHDSACASA-N 1 2 242.282 1.461 20 0 BDADLO Cc1coc(C)c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978993 588927234 /nfs/dbraw/zinc/92/72/34/588927234.db2.gz RWAPNIOHAWCXQA-JTQLQIEISA-N 1 2 245.282 1.968 20 0 BDADLO CCc1nc(NCCc2cc(C)n(C)n2)cc[nH+]1 ZINC000896024453 583762168 /nfs/dbraw/zinc/76/21/68/583762168.db2.gz ZATLYQZLHBPNGA-UHFFFAOYSA-N 1 2 245.330 1.736 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)COC(C)=O ZINC000896003630 583762175 /nfs/dbraw/zinc/76/21/75/583762175.db2.gz ITWVTINUYZAFEL-ONGXEEELSA-N 1 2 245.319 1.115 20 0 BDADLO C[C@H]1C[C@H]1c1noc(C2([NH+](C)C)CC2)n1 ZINC000896123675 583773984 /nfs/dbraw/zinc/77/39/84/583773984.db2.gz JNJPLQFDEFHJOT-JGVFFNPUSA-N 1 2 207.277 1.744 20 0 BDADLO Cc1cncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857982625 588928228 /nfs/dbraw/zinc/92/82/28/588928228.db2.gz KLMLLTKQUVVCHD-LLVKDONJSA-N 1 2 242.282 1.461 20 0 BDADLO Cc1[nH]nc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1C ZINC000857985055 588928366 /nfs/dbraw/zinc/92/83/66/588928366.db2.gz GFBGNJXSYUWMOG-VIFPVBQESA-N 1 2 245.286 1.098 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC12CCC2 ZINC000857983641 588928381 /nfs/dbraw/zinc/92/83/81/588928381.db2.gz UICBKTNGXXQARH-VHSXEESVSA-N 1 2 231.299 1.634 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCOC1 ZINC000857983349 588928425 /nfs/dbraw/zinc/92/84/25/588928425.db2.gz ZYEUTAPZXWJYTQ-GWCFXTLKSA-N 1 2 249.314 1.261 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccco1 ZINC000857985798 588929101 /nfs/dbraw/zinc/92/91/01/588929101.db2.gz JZLWWXLLTDJHOU-NXEZZACHSA-N 1 2 245.282 1.841 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987303 588929352 /nfs/dbraw/zinc/92/93/52/588929352.db2.gz TWNXRACSLMOMHC-VHSXEESVSA-N 1 2 221.304 1.736 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1CCC1)CCN2 ZINC000857994699 588929829 /nfs/dbraw/zinc/92/98/29/588929829.db2.gz ODMRDQXXRYTKOZ-UHFFFAOYSA-N 1 2 231.299 1.949 20 0 BDADLO CSCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857994301 588929917 /nfs/dbraw/zinc/92/99/17/588929917.db2.gz CCCKPUMRFGBEKS-UHFFFAOYSA-N 1 2 237.328 1.512 20 0 BDADLO CC(C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857990905 588930011 /nfs/dbraw/zinc/93/00/11/588930011.db2.gz SIOPENVWRVYPSJ-VIFPVBQESA-N 1 2 207.277 1.490 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H]1C[C@@H]1C)CCN2 ZINC000857994065 588930208 /nfs/dbraw/zinc/93/02/08/588930208.db2.gz AYBMXTYRBLJBHO-VHSXEESVSA-N 1 2 231.299 1.805 20 0 BDADLO CO[C@]12CCC[C@@]1([NH2+]Cc1cocn1)CCO2 ZINC000896411582 583800565 /nfs/dbraw/zinc/80/05/65/583800565.db2.gz IZSRGOKGOXEMJZ-NEPJUHHUSA-N 1 2 238.287 1.450 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC000896519892 583808472 /nfs/dbraw/zinc/80/84/72/583808472.db2.gz ZWFKTXYEGPFXCL-VIFPVBQESA-N 1 2 223.276 1.270 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC000896519892 583808473 /nfs/dbraw/zinc/80/84/73/583808473.db2.gz ZWFKTXYEGPFXCL-VIFPVBQESA-N 1 2 223.276 1.270 20 0 BDADLO COc1ncncc1C[N@@H+]1CCO[C@H](C)CC1 ZINC000896578385 583814221 /nfs/dbraw/zinc/81/42/21/583814221.db2.gz UDEYXUSMCKDULM-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@H+]1CCO[C@H](C)CC1 ZINC000896578385 583814224 /nfs/dbraw/zinc/81/42/24/583814224.db2.gz UDEYXUSMCKDULM-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c(Cl)cnn2C)CCO1 ZINC000896584594 583815270 /nfs/dbraw/zinc/81/52/70/583815270.db2.gz PZRIGILVSIIMAK-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c(Cl)cnn2C)CCO1 ZINC000896584594 583815272 /nfs/dbraw/zinc/81/52/72/583815272.db2.gz PZRIGILVSIIMAK-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H]2C[C@H](CO)C2)[nH+]1 ZINC000896690073 583822653 /nfs/dbraw/zinc/82/26/53/583822653.db2.gz LTVPTDCVBCGTAL-KYZUINATSA-N 1 2 232.287 1.449 20 0 BDADLO COC[C@@H](C)Cc1noc(C2([NH+](C)C)CC2)n1 ZINC000896752107 583830782 /nfs/dbraw/zinc/83/07/82/583830782.db2.gz QAXCAAKZEXEIJE-VIFPVBQESA-N 1 2 239.319 1.445 20 0 BDADLO OCc1ccc(C[N@@H+]2CCn3cccc3C2)o1 ZINC000896761736 583831181 /nfs/dbraw/zinc/83/11/81/583831181.db2.gz USDSPZKPQUKONG-UHFFFAOYSA-N 1 2 232.283 1.589 20 0 BDADLO OCc1ccc(C[N@H+]2CCn3cccc3C2)o1 ZINC000896761736 583831183 /nfs/dbraw/zinc/83/11/83/583831183.db2.gz USDSPZKPQUKONG-UHFFFAOYSA-N 1 2 232.283 1.589 20 0 BDADLO CC(F)(F)C[NH2+]Cc1ccnc(F)c1 ZINC000858168189 588936591 /nfs/dbraw/zinc/93/65/91/588936591.db2.gz OLSKNFXDESXHGQ-UHFFFAOYSA-N 1 2 204.195 1.966 20 0 BDADLO Cc1cocc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896907227 583851689 /nfs/dbraw/zinc/85/16/89/583851689.db2.gz JNNNEKMDXFQHNJ-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccn(C)c2)[nH+]c1C ZINC000896916899 583855604 /nfs/dbraw/zinc/85/56/04/583855604.db2.gz MVFBSSVRCUSLDQ-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922130 583856938 /nfs/dbraw/zinc/85/69/38/583856938.db2.gz KQWHFSJWOMNSNR-ZJUUUORDSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1c[nH]cc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922180 583857175 /nfs/dbraw/zinc/85/71/75/583857175.db2.gz MIQQZOVXBNLJTE-UHFFFAOYSA-N 1 2 232.287 1.593 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccnc(C)n2)[nH+]c1C ZINC000896924348 583857551 /nfs/dbraw/zinc/85/75/51/583857551.db2.gz XQFIKTVHQPHQMP-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CC(C)(C)CC[C@H]1C ZINC000896922981 583857605 /nfs/dbraw/zinc/85/76/05/583857605.db2.gz ABKXTXNSXSNBQM-ZJUUUORDSA-N 1 2 228.336 1.468 20 0 BDADLO CC[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)NOC ZINC000896924155 583858693 /nfs/dbraw/zinc/85/86/93/583858693.db2.gz LXRNNONAWDBGHW-MNOVXSKESA-N 1 2 228.336 1.470 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000896927014 583858808 /nfs/dbraw/zinc/85/88/08/583858808.db2.gz NZESMGOHRUIPPM-VIFPVBQESA-N 1 2 240.278 1.024 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000896927307 583859290 /nfs/dbraw/zinc/85/92/90/583859290.db2.gz PORUKJFJAOBDTP-GHMZBOCLSA-N 1 2 226.320 1.222 20 0 BDADLO COCCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000728342145 583864915 /nfs/dbraw/zinc/86/49/15/583864915.db2.gz CGKBFYPFWYBZBF-UHFFFAOYSA-N 1 2 248.282 1.722 20 0 BDADLO CCCn1cc(C[N@@H+]2CC[C@H](OCC)C2)nn1 ZINC000897066910 583876554 /nfs/dbraw/zinc/87/65/54/583876554.db2.gz BPIFMBLSQJFXNR-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CC[C@H](OCC)C2)nn1 ZINC000897066910 583876556 /nfs/dbraw/zinc/87/65/56/583876556.db2.gz BPIFMBLSQJFXNR-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]c1 ZINC000897071362 583877094 /nfs/dbraw/zinc/87/70/94/583877094.db2.gz BKESGKNOFHUNKD-CFYFLVNUSA-N 1 2 246.310 1.723 20 0 BDADLO CC(C)c1nc(N[C@@H]2CC23CC(O)C3)cc[nH+]1 ZINC000897091762 583878976 /nfs/dbraw/zinc/87/89/76/583878976.db2.gz VCACKRWWWFPSFP-RUETXSTFSA-N 1 2 233.315 1.925 20 0 BDADLO Cc1cc(N2CC[C@@H]2CO)nc(C2CCC2)[nH+]1 ZINC000897119241 583882511 /nfs/dbraw/zinc/88/25/11/583882511.db2.gz SYKBHHFITLMIND-LLVKDONJSA-N 1 2 233.315 1.624 20 0 BDADLO CCc1nc(N(C)[C@H]2CC[C@@H]2OC)cc[nH+]1 ZINC000897140593 583882944 /nfs/dbraw/zinc/88/29/44/583882944.db2.gz ZLCBJXLOMZNQOV-UWVGGRQHSA-N 1 2 221.304 1.653 20 0 BDADLO COc1c(C)cc(C[NH2+]Cc2cnn[nH]2)cc1C ZINC000858197440 588938395 /nfs/dbraw/zinc/93/83/95/588938395.db2.gz FBUFJVDYQLDGNC-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO COc1c(C)cc(C[NH2+]Cc2c[nH]nn2)cc1C ZINC000858197440 588938396 /nfs/dbraw/zinc/93/83/96/588938396.db2.gz FBUFJVDYQLDGNC-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO COc1c(C)cc(C[NH2+]Cc2cn[nH]n2)cc1C ZINC000858197440 588938397 /nfs/dbraw/zinc/93/83/97/588938397.db2.gz FBUFJVDYQLDGNC-UHFFFAOYSA-N 1 2 246.314 1.720 20 0 BDADLO Cc1nc(N[C@@H]2CCOC23CCOCC3)cc[nH+]1 ZINC000897324037 583923084 /nfs/dbraw/zinc/92/30/84/583923084.db2.gz STOGUHQMZXCVPP-LLVKDONJSA-N 1 2 249.314 1.535 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@H]1CCC=CO1)C2 ZINC000897334344 583924699 /nfs/dbraw/zinc/92/46/99/583924699.db2.gz RBQSGLQUSLJGGP-GFCCVEGCSA-N 1 2 247.342 1.954 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000897334344 583924700 /nfs/dbraw/zinc/92/47/00/583924700.db2.gz RBQSGLQUSLJGGP-GFCCVEGCSA-N 1 2 247.342 1.954 20 0 BDADLO CCn1c[nH+]c2c1CCN(C[C@H]1CCC=CO1)C2 ZINC000897334344 583924701 /nfs/dbraw/zinc/92/47/01/583924701.db2.gz RBQSGLQUSLJGGP-GFCCVEGCSA-N 1 2 247.342 1.954 20 0 BDADLO C[N@H+](CCCN1CCOC1=O)CC(F)F ZINC000728928912 583937412 /nfs/dbraw/zinc/93/74/12/583937412.db2.gz LWFQEEWYZYXYBW-UHFFFAOYSA-N 1 2 222.235 1.026 20 0 BDADLO C[N@@H+](CCCN1CCOC1=O)CC(F)F ZINC000728928912 583937413 /nfs/dbraw/zinc/93/74/13/583937413.db2.gz LWFQEEWYZYXYBW-UHFFFAOYSA-N 1 2 222.235 1.026 20 0 BDADLO CCc1cc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)no1 ZINC000897414010 583960409 /nfs/dbraw/zinc/96/04/09/583960409.db2.gz OLOYNTNWIFYWNJ-SECBINFHSA-N 1 2 248.286 1.841 20 0 BDADLO c1ccc(N[C@H]2COC[C@@H]2C2CC2)[nH+]c1 ZINC000897441585 583984969 /nfs/dbraw/zinc/98/49/69/583984969.db2.gz HCSSGDPSZYYMTF-MNOVXSKESA-N 1 2 204.273 1.919 20 0 BDADLO CCc1nc(N[C@H]2COC[C@@H]2C2CC2)cc[nH+]1 ZINC000897451446 583985870 /nfs/dbraw/zinc/98/58/70/583985870.db2.gz NAVVYEPDNACULF-MNOVXSKESA-N 1 2 233.315 1.876 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729385439 583996748 /nfs/dbraw/zinc/99/67/48/583996748.db2.gz GICOZZHRZKHMJK-QJGQKNTRSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(/C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729385439 583996751 /nfs/dbraw/zinc/99/67/51/583996751.db2.gz GICOZZHRZKHMJK-QJGQKNTRSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C/Cl)nc[nH+]1 ZINC000897504834 583998444 /nfs/dbraw/zinc/99/84/44/583998444.db2.gz FTHNZBKVFTTZIR-SGJFDWMWSA-N 1 2 242.710 1.434 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C/Cl)[nH+]cn1 ZINC000897504834 583998447 /nfs/dbraw/zinc/99/84/47/583998447.db2.gz FTHNZBKVFTTZIR-SGJFDWMWSA-N 1 2 242.710 1.434 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C/Cl)nc[nH+]1 ZINC000897504835 583998506 /nfs/dbraw/zinc/99/85/06/583998506.db2.gz FTHNZBKVFTTZIR-UFUPEUMYSA-N 1 2 242.710 1.434 20 0 BDADLO C[C@@H](O)CNc1cc(NC/C=C/Cl)[nH+]cn1 ZINC000897504835 583998507 /nfs/dbraw/zinc/99/85/07/583998507.db2.gz FTHNZBKVFTTZIR-UFUPEUMYSA-N 1 2 242.710 1.434 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CCCCO2)c[nH+]1 ZINC000897513911 583999529 /nfs/dbraw/zinc/99/95/29/583999529.db2.gz UZKNUQGYJJPZDP-UHFFFAOYSA-N 1 2 237.303 1.481 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000897679015 584037372 /nfs/dbraw/zinc/03/73/72/584037372.db2.gz HJMGHVLCSWJVMM-BQBZGAKWSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@@H]1O ZINC000897679015 584037373 /nfs/dbraw/zinc/03/73/73/584037373.db2.gz HJMGHVLCSWJVMM-BQBZGAKWSA-N 1 2 232.736 1.609 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000897661284 584035227 /nfs/dbraw/zinc/03/52/27/584035227.db2.gz WDHOUSIDVJMVJF-RKDXNWHRSA-N 1 2 246.270 1.702 20 0 BDADLO CCc1coc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000897661284 584035228 /nfs/dbraw/zinc/03/52/28/584035228.db2.gz WDHOUSIDVJMVJF-RKDXNWHRSA-N 1 2 246.270 1.702 20 0 BDADLO Cc1cc(C[NH+]2CC(N3CCCC3=O)C2)c(C)o1 ZINC000897783470 584048374 /nfs/dbraw/zinc/04/83/74/584048374.db2.gz CZHCCPMOXNSZER-UHFFFAOYSA-N 1 2 248.326 1.703 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H](OC)[C@H](C)CC)C(=O)OC ZINC000897834273 584052791 /nfs/dbraw/zinc/05/27/91/584052791.db2.gz LFJRUVJQJFWZHI-UTUOFQBUSA-N 1 2 245.363 1.979 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OC ZINC000897835405 584053403 /nfs/dbraw/zinc/05/34/03/584053403.db2.gz DEDLVUAZNJZYOT-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO COC[C@H](C)C[NH+]1CC(OC)(C(F)(F)F)C1 ZINC000897880203 584057252 /nfs/dbraw/zinc/05/72/52/584057252.db2.gz NXRFVXOLZPOSSW-MRVPVSSYSA-N 1 2 241.253 1.532 20 0 BDADLO CC[C@@](C)(C[NH2+]C1(c2nc(C)no2)CC1)OC ZINC000897896397 584058263 /nfs/dbraw/zinc/05/82/63/584058263.db2.gz VUQQNYXZWXXNJQ-NSHDSACASA-N 1 2 239.319 1.772 20 0 BDADLO CCn1c[nH+]cc1CNC1(c2nc(C)no2)CC1 ZINC000897896551 584058738 /nfs/dbraw/zinc/05/87/38/584058738.db2.gz YBUMQWICVZWJPX-UHFFFAOYSA-N 1 2 247.302 1.373 20 0 BDADLO C[C@H]1CO[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000897908932 584059937 /nfs/dbraw/zinc/05/99/37/584059937.db2.gz PCSJUEJWQLGQHS-BDAKNGLRSA-N 1 2 237.303 1.186 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC2(C)C)c[nH+]1 ZINC000897972165 584061220 /nfs/dbraw/zinc/06/12/20/584061220.db2.gz LLHWLHIJPZXBBS-JTQLQIEISA-N 1 2 235.331 1.841 20 0 BDADLO C[C@H]([NH2+]C1CC(CCO)C1)C(=O)OC(C)(C)C ZINC000898015524 584074945 /nfs/dbraw/zinc/07/49/45/584074945.db2.gz ODYLOMGMJMSUBH-WHXUTIOJSA-N 1 2 243.347 1.467 20 0 BDADLO CC(C)n1nccc1C[NH2+]Cc1cn(C)cn1 ZINC000898043135 584080578 /nfs/dbraw/zinc/08/05/78/584080578.db2.gz FYGOPENCZRDMOR-UHFFFAOYSA-N 1 2 233.319 1.487 20 0 BDADLO CCn1nncc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160316 584087830 /nfs/dbraw/zinc/08/78/30/584087830.db2.gz ZEGGEUDMFQPOQS-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO c1cc(CC2C[NH+](Cc3ccon3)C2)co1 ZINC000898159934 584087835 /nfs/dbraw/zinc/08/78/35/584087835.db2.gz JZNSZDHRGCVVNZ-UHFFFAOYSA-N 1 2 218.256 1.942 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898186753 584094203 /nfs/dbraw/zinc/09/42/03/584094203.db2.gz FLAONZVRVWOUQN-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898186753 584094204 /nfs/dbraw/zinc/09/42/04/584094204.db2.gz FLAONZVRVWOUQN-QWRGUYRKSA-N 1 2 242.269 1.434 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cn1 ZINC000898194419 584096374 /nfs/dbraw/zinc/09/63/74/584096374.db2.gz YUVNKKPSEZIEHJ-VXGBXAGGSA-N 1 2 241.310 1.369 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cn1 ZINC000898194419 584096376 /nfs/dbraw/zinc/09/63/76/584096376.db2.gz YUVNKKPSEZIEHJ-VXGBXAGGSA-N 1 2 241.310 1.369 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000898260504 584103199 /nfs/dbraw/zinc/10/31/99/584103199.db2.gz GEUHALJTOLTSTH-MVWJERBFSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000898260504 584103202 /nfs/dbraw/zinc/10/32/02/584103202.db2.gz GEUHALJTOLTSTH-MVWJERBFSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000898260503 584103264 /nfs/dbraw/zinc/10/32/64/584103264.db2.gz GEUHALJTOLTSTH-ADEWGFFLSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000898260503 584103265 /nfs/dbraw/zinc/10/32/65/584103265.db2.gz GEUHALJTOLTSTH-ADEWGFFLSA-N 1 2 248.330 1.740 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C12CC(C1)C2 ZINC000898503063 584141027 /nfs/dbraw/zinc/14/10/27/584141027.db2.gz GQPVNSQXJUFTAL-QWKFWESOSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)C12CC(C1)C2 ZINC000898503063 584141029 /nfs/dbraw/zinc/14/10/29/584141029.db2.gz GQPVNSQXJUFTAL-QWKFWESOSA-N 1 2 240.322 1.337 20 0 BDADLO C[C@H]1CN(C(=O)NCc2cn(C)c[nH+]2)C[C@@H]1C ZINC000898628412 584147083 /nfs/dbraw/zinc/14/70/83/584147083.db2.gz SKWILNNRWMQKQJ-UWVGGRQHSA-N 1 2 236.319 1.218 20 0 BDADLO CC[C@@H]1CCCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898629918 584147372 /nfs/dbraw/zinc/14/73/72/584147372.db2.gz XKXDYYHGJMIVAU-LLVKDONJSA-N 1 2 236.319 1.504 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000898810287 584160162 /nfs/dbraw/zinc/16/01/62/584160162.db2.gz KBFRCEIAADNTMV-SDDRHHMPSA-N 1 2 245.326 1.880 20 0 BDADLO CCc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)no1 ZINC000898811126 584160234 /nfs/dbraw/zinc/16/02/34/584160234.db2.gz RPXXJXYXLBFYJY-SECBINFHSA-N 1 2 246.270 1.308 20 0 BDADLO Cc1ncc(C(=O)NCC(C)(C)n2cc[nH+]c2)[nH]1 ZINC000898902169 584165319 /nfs/dbraw/zinc/16/53/19/584165319.db2.gz KZVNWSOYWGPQMM-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO Cc1cn2ccc(C(=O)NC3CSC3)cc2[nH+]1 ZINC000898940354 584167312 /nfs/dbraw/zinc/16/73/12/584167312.db2.gz ALBZLVXSHCVVDC-UHFFFAOYSA-N 1 2 247.323 1.488 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899203927 584181016 /nfs/dbraw/zinc/18/10/16/584181016.db2.gz WSCVFZRHDYFWPL-YIZUVKHSSA-N 1 2 231.299 1.762 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899203927 584181018 /nfs/dbraw/zinc/18/10/18/584181018.db2.gz WSCVFZRHDYFWPL-YIZUVKHSSA-N 1 2 231.299 1.762 20 0 BDADLO COC(=O)CCCC1=C(C)SC2=[NH+]CCN21 ZINC000899241614 584184967 /nfs/dbraw/zinc/18/49/67/584184967.db2.gz PRPCVQILPRGJSM-UHFFFAOYSA-N 1 2 240.328 1.980 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)Cc1ccsc1 ZINC000899394296 584210166 /nfs/dbraw/zinc/21/01/66/584210166.db2.gz FUHCPTZXSNZLCG-HNNXBMFYSA-N 1 2 240.353 1.931 20 0 BDADLO CN(CCCF)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000899811553 584238970 /nfs/dbraw/zinc/23/89/70/584238970.db2.gz NOIUFJUNOXOYRK-JTQLQIEISA-N 1 2 239.294 1.264 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCCF ZINC000899811078 584238987 /nfs/dbraw/zinc/23/89/87/584238987.db2.gz GROZUFRDLQJRGP-VIFPVBQESA-N 1 2 227.283 1.406 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCCF ZINC000899811078 584238988 /nfs/dbraw/zinc/23/89/88/584238988.db2.gz GROZUFRDLQJRGP-VIFPVBQESA-N 1 2 227.283 1.406 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCCCCC1 ZINC000899904263 584250731 /nfs/dbraw/zinc/25/07/31/584250731.db2.gz HDPNQLOIGDWWSS-UHFFFAOYSA-N 1 2 233.315 1.896 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000899917591 584254830 /nfs/dbraw/zinc/25/48/30/584254830.db2.gz NHEYSUJYDOSICV-AOOOYVTPSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1ccccc1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000899952154 584260047 /nfs/dbraw/zinc/26/00/47/584260047.db2.gz URXKXRSEYMOQIU-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ncc[nH]1 ZINC000858603184 588970452 /nfs/dbraw/zinc/97/04/52/588970452.db2.gz SYJRIVOXIMQKAX-ONGXEEELSA-N 1 2 248.330 1.214 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900367003 584296781 /nfs/dbraw/zinc/29/67/81/584296781.db2.gz HBCKQOGFQAGMDE-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900367003 584296783 /nfs/dbraw/zinc/29/67/83/584296783.db2.gz HBCKQOGFQAGMDE-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO CC(C)N(Cc1ccco1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900421781 584306991 /nfs/dbraw/zinc/30/69/91/584306991.db2.gz IEOPHMOIBFWQBA-UHFFFAOYSA-N 1 2 247.298 1.982 20 0 BDADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CCCO1 ZINC000900525378 584318707 /nfs/dbraw/zinc/31/87/07/584318707.db2.gz DVWGWHGKMSIIPJ-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CCON(CC)C(=O)CNc1cccc[nH+]1 ZINC000858679063 588974172 /nfs/dbraw/zinc/97/41/72/588974172.db2.gz ISKIVEHWNMBYBS-UHFFFAOYSA-N 1 2 223.276 1.294 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000900591814 584329391 /nfs/dbraw/zinc/32/93/91/584329391.db2.gz INKACHWTLJDWIB-WDEREUQCSA-N 1 2 233.315 1.798 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000900591811 584329513 /nfs/dbraw/zinc/32/95/13/584329513.db2.gz INKACHWTLJDWIB-MNOVXSKESA-N 1 2 233.315 1.798 20 0 BDADLO COC(=O)C1=CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000858692158 588974917 /nfs/dbraw/zinc/97/49/17/588974917.db2.gz NGTJZKWWMSVNPC-SNVBAGLBSA-N 1 2 233.271 1.459 20 0 BDADLO CCC/C=C\[C@H](O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900625771 584333039 /nfs/dbraw/zinc/33/30/39/584333039.db2.gz NQKBIFINIYBAQM-OMMCCPJFSA-N 1 2 237.303 1.085 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)CNc1cccc[nH+]1 ZINC000900655174 584336289 /nfs/dbraw/zinc/33/62/89/584336289.db2.gz IIAISROHVRCVAB-LLVKDONJSA-N 1 2 235.331 1.998 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000900698071 584340197 /nfs/dbraw/zinc/34/01/97/584340197.db2.gz JBVMKXMSJODAIF-CKYFFXLPSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000900698071 584340199 /nfs/dbraw/zinc/34/01/99/584340199.db2.gz JBVMKXMSJODAIF-CKYFFXLPSA-N 1 2 235.331 1.893 20 0 BDADLO CCc1ccccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900799678 584349472 /nfs/dbraw/zinc/34/94/72/584349472.db2.gz OKOHTMQUUBWTEJ-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CCc1ccccc1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900799678 584349473 /nfs/dbraw/zinc/34/94/73/584349473.db2.gz OKOHTMQUUBWTEJ-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CC[C@@H](COC)NC(=O)CNc1cccc[nH+]1 ZINC000900782446 584350834 /nfs/dbraw/zinc/35/08/34/584350834.db2.gz IEKMIQIINDBNPI-JTQLQIEISA-N 1 2 237.303 1.035 20 0 BDADLO CC1(C)CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900835756 584359196 /nfs/dbraw/zinc/35/91/96/584359196.db2.gz GORAQBCVOGEHNE-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@H]1CCSC1 ZINC000900868484 584363041 /nfs/dbraw/zinc/36/30/41/584363041.db2.gz SOIFJEWIRZOQIT-VIFPVBQESA-N 1 2 237.328 1.115 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCCOC1CCC1 ZINC000900870840 584363519 /nfs/dbraw/zinc/36/35/19/584363519.db2.gz DHNLXEXWVNUZMS-UHFFFAOYSA-N 1 2 249.314 1.179 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000900964173 584372053 /nfs/dbraw/zinc/37/20/53/584372053.db2.gz WZHPECQUFGXILY-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000900964173 584372055 /nfs/dbraw/zinc/37/20/55/584372055.db2.gz WZHPECQUFGXILY-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO CC/C=C(\F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001493 584372845 /nfs/dbraw/zinc/37/28/45/584372845.db2.gz WVGNQTSNAYSNFQ-UITAMQMPSA-N 1 2 225.267 1.906 20 0 BDADLO CCC=C(F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001493 584372847 /nfs/dbraw/zinc/37/28/47/584372847.db2.gz WVGNQTSNAYSNFQ-UITAMQMPSA-N 1 2 225.267 1.906 20 0 BDADLO C/C=C(/C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996561 584375349 /nfs/dbraw/zinc/37/53/49/584375349.db2.gz FQCJJWMYWXFNDM-ALCCZGGFSA-N 1 2 207.277 1.609 20 0 BDADLO CC=C(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996561 584375350 /nfs/dbraw/zinc/37/53/50/584375350.db2.gz FQCJJWMYWXFNDM-ALCCZGGFSA-N 1 2 207.277 1.609 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000901068447 584378069 /nfs/dbraw/zinc/37/80/69/584378069.db2.gz ZIHNDBIVJCAAHB-TUAOUCFPSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000901068447 584378072 /nfs/dbraw/zinc/37/80/72/584378072.db2.gz ZIHNDBIVJCAAHB-TUAOUCFPSA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000901022278 584378136 /nfs/dbraw/zinc/37/81/36/584378136.db2.gz SMVXSBCDHDOJOI-GXSJLCMTSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000901022278 584378137 /nfs/dbraw/zinc/37/81/37/584378137.db2.gz SMVXSBCDHDOJOI-GXSJLCMTSA-N 1 2 221.304 1.647 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)Nc1nc(C)c[nH]1 ZINC000901053259 584379123 /nfs/dbraw/zinc/37/91/23/584379123.db2.gz WFEAACZYJQXLRT-UHFFFAOYSA-N 1 2 245.286 1.716 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC2CCC1CC2 ZINC000901122193 584387254 /nfs/dbraw/zinc/38/72/54/584387254.db2.gz KXCYEFYVJZBLPT-CBINBANVSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC2CCC1CC2 ZINC000901122193 584387256 /nfs/dbraw/zinc/38/72/56/584387256.db2.gz KXCYEFYVJZBLPT-CBINBANVSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H](C(=O)NC1=[NH+]CCS1)C1CCC1 ZINC000901153775 584391586 /nfs/dbraw/zinc/39/15/86/584391586.db2.gz GQYLECDJVVCCIQ-SSDOTTSWSA-N 1 2 212.318 1.642 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000901154144 584391834 /nfs/dbraw/zinc/39/18/34/584391834.db2.gz KEOBWBUNVWUORG-YIZRAAEISA-N 1 2 224.329 1.642 20 0 BDADLO CC[C@H](CSC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901328000 584423961 /nfs/dbraw/zinc/42/39/61/584423961.db2.gz AEYUIUUWEZYPIT-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO CC[C@H](CSC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901328000 584423963 /nfs/dbraw/zinc/42/39/63/584423963.db2.gz AEYUIUUWEZYPIT-MRVPVSSYSA-N 1 2 227.333 1.210 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1F ZINC000901351938 584431602 /nfs/dbraw/zinc/43/16/02/584431602.db2.gz RLTNLYIIEOOMGJ-WCBMZHEXSA-N 1 2 225.267 1.159 20 0 BDADLO Cc1cc(N)nc(SCC(=O)[C@@H]2C[C@@H]2C)[nH+]1 ZINC000901415200 584441468 /nfs/dbraw/zinc/44/14/68/584441468.db2.gz GAQALRALCIGKLG-POYBYMJQSA-N 1 2 237.328 1.684 20 0 BDADLO CCO[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000901416757 584441506 /nfs/dbraw/zinc/44/15/06/584441506.db2.gz UVMQQSLMQUBUQD-SSDOTTSWSA-N 1 2 213.306 1.842 20 0 BDADLO Fc1c[nH+]ccc1NCc1nccn1C1CC1 ZINC000902064949 584522569 /nfs/dbraw/zinc/52/25/69/584522569.db2.gz CGTFRCVYOPPYLS-UHFFFAOYSA-N 1 2 232.262 1.786 20 0 BDADLO CCn1c[nH+]cc1CNc1ccnc(COC)n1 ZINC000902137590 584526506 /nfs/dbraw/zinc/52/65/06/584526506.db2.gz DCJFIRVHKMKAGI-UHFFFAOYSA-N 1 2 247.302 1.452 20 0 BDADLO NC(=[NH+]OC[C@@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000902124239 584528838 /nfs/dbraw/zinc/52/88/38/584528838.db2.gz XILZKOGZBDPKKC-GXTWGEPZSA-N 1 2 246.310 1.960 20 0 BDADLO CCc1nocc1CNc1cc[nH+]c(C)n1 ZINC000902125372 584529210 /nfs/dbraw/zinc/52/92/10/584529210.db2.gz RFQDIWGPNYTCIW-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CCn1c[nH+]cc1CNc1cc(OC)ncn1 ZINC000902180865 584533163 /nfs/dbraw/zinc/53/31/63/584533163.db2.gz JOSPZUPTDHTRAW-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO COc1ncncc1CNc1cc(C)[nH+]cn1 ZINC000902194945 584536974 /nfs/dbraw/zinc/53/69/74/584536974.db2.gz IMNBQYUFJWKTCJ-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCOC1CC1 ZINC000902221163 584540803 /nfs/dbraw/zinc/54/08/03/584540803.db2.gz NRRAWVWEBXBGFT-UHFFFAOYSA-N 1 2 216.281 1.089 20 0 BDADLO C[C@]12CC[N@H+](CN3CCOC3=O)C[C@H]1C2(F)F ZINC000902275149 584550200 /nfs/dbraw/zinc/55/02/00/584550200.db2.gz HSXTWISRRPSPEV-SCZZXKLOSA-N 1 2 246.257 1.373 20 0 BDADLO C[C@]12CC[N@@H+](CN3CCOC3=O)C[C@H]1C2(F)F ZINC000902275149 584550203 /nfs/dbraw/zinc/55/02/03/584550203.db2.gz HSXTWISRRPSPEV-SCZZXKLOSA-N 1 2 246.257 1.373 20 0 BDADLO CCn1c[nH+]c(CNc2cccnc2)c1 ZINC000902299689 584553309 /nfs/dbraw/zinc/55/33/09/584553309.db2.gz DMJVCIUFVQKLQI-UHFFFAOYSA-N 1 2 202.261 1.910 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC[C@H]1CCNC1=O ZINC000902356422 584570173 /nfs/dbraw/zinc/57/01/73/584570173.db2.gz ZLRUBXKZLNDURX-LLVKDONJSA-N 1 2 248.326 1.857 20 0 BDADLO CCn1c[nH+]c(CNc2cnccc2CO)c1 ZINC000902407674 584574505 /nfs/dbraw/zinc/57/45/05/584574505.db2.gz UCGMRUYCLYKKRV-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO c1c[nH+]c(COC[C@H]2C[C@]23CCOC3)[nH]1 ZINC000902396369 584585230 /nfs/dbraw/zinc/58/52/30/584585230.db2.gz JUELHOSXPNHFIH-KOLCDFICSA-N 1 2 208.261 1.353 20 0 BDADLO CCc1nn(C)cc1NCc1cn(CC)c[nH+]1 ZINC000902457038 584610120 /nfs/dbraw/zinc/61/01/20/584610120.db2.gz RXKFQCNIARGJIS-UHFFFAOYSA-N 1 2 233.319 1.811 20 0 BDADLO C[C@H]1C[C@H](NCc2csc(N)n2)c2[nH+]ccn21 ZINC000902499213 584620129 /nfs/dbraw/zinc/62/01/29/584620129.db2.gz IGPCTDHROLVRFO-CBAPKCEASA-N 1 2 249.343 1.717 20 0 BDADLO CC[C@@H]1C[C@H]1Cn1cc[nH+]c1CN1CCOCC1 ZINC000902487843 584626855 /nfs/dbraw/zinc/62/68/55/584626855.db2.gz CYJGKZQGRVBBPJ-OLZOCXBDSA-N 1 2 249.358 1.761 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cnccc2OC)c1 ZINC000902575009 584637344 /nfs/dbraw/zinc/63/73/44/584637344.db2.gz SINJWIXWZUZKGW-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)Cc1ccccc1F ZINC000902623666 584640232 /nfs/dbraw/zinc/64/02/32/584640232.db2.gz UXMQBDLTFABKDO-SECBINFHSA-N 1 2 240.278 1.902 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccccc2NC)nn1 ZINC000902617820 584644279 /nfs/dbraw/zinc/64/42/79/584644279.db2.gz UOBLFXCMXHLUNF-UHFFFAOYSA-N 1 2 245.330 1.630 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)Cc1ccccc1F ZINC000902622836 584645370 /nfs/dbraw/zinc/64/53/70/584645370.db2.gz JKYMIOCBFFRDTP-SECBINFHSA-N 1 2 240.278 1.638 20 0 BDADLO CCc1ncc(CO[NH+]=C(N)[C@H](C)OC)o1 ZINC000902717246 584657861 /nfs/dbraw/zinc/65/78/61/584657861.db2.gz NOUVADSPCSPAJW-ZETCQYMHSA-N 1 2 227.264 1.270 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)COC(C)(C)C ZINC000902730051 584662325 /nfs/dbraw/zinc/66/23/25/584662325.db2.gz HMNRUQMUZLYJIE-UXBLZVDNSA-N 1 2 244.335 1.893 20 0 BDADLO C[C@H]([NH2+]Cc1ccccc1CO)c1cn(C)nn1 ZINC000902763190 584663722 /nfs/dbraw/zinc/66/37/22/584663722.db2.gz VMMWOBOHXDEWNS-JTQLQIEISA-N 1 2 246.314 1.158 20 0 BDADLO Cc1cn2cc(NC(=O)OC3COC3)ccc2[nH+]1 ZINC000902869074 584683700 /nfs/dbraw/zinc/68/37/00/584683700.db2.gz IPDCWPLSEYTEPC-UHFFFAOYSA-N 1 2 247.254 1.590 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)OC1COC1 ZINC000902942826 584695951 /nfs/dbraw/zinc/69/59/51/584695951.db2.gz KXWJKAFQPGVORC-QMMMGPOBSA-N 1 2 239.275 1.089 20 0 BDADLO CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](F)C2)CC1 ZINC000902995134 584708968 /nfs/dbraw/zinc/70/89/68/584708968.db2.gz LYUSYFGHMFSWEV-SNVBAGLBSA-N 1 2 249.351 1.245 20 0 BDADLO CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H](F)C2)CC1 ZINC000902995134 584708969 /nfs/dbraw/zinc/70/89/69/584708969.db2.gz LYUSYFGHMFSWEV-SNVBAGLBSA-N 1 2 249.351 1.245 20 0 BDADLO CCN1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992109 584709740 /nfs/dbraw/zinc/70/97/40/584709740.db2.gz HANUTLQSAANKHB-ZJUUUORDSA-N 1 2 214.284 1.041 20 0 BDADLO CCN1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1=O ZINC000902992109 584709741 /nfs/dbraw/zinc/70/97/41/584709741.db2.gz HANUTLQSAANKHB-ZJUUUORDSA-N 1 2 214.284 1.041 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCC[C@@H](F)C2)CCO1 ZINC000902994504 584712119 /nfs/dbraw/zinc/71/21/19/584712119.db2.gz DCGKABNVFZMKDT-VXGBXAGGSA-N 1 2 230.327 1.141 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCC[C@@H](F)C2)CCO1 ZINC000902994504 584712121 /nfs/dbraw/zinc/71/21/21/584712121.db2.gz DCGKABNVFZMKDT-VXGBXAGGSA-N 1 2 230.327 1.141 20 0 BDADLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902997086 584714347 /nfs/dbraw/zinc/71/43/47/584714347.db2.gz PYGPARFMPAXHEP-VXGBXAGGSA-N 1 2 236.290 1.647 20 0 BDADLO NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](F)C1 ZINC000902997086 584714348 /nfs/dbraw/zinc/71/43/48/584714348.db2.gz PYGPARFMPAXHEP-VXGBXAGGSA-N 1 2 236.290 1.647 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903002035 584715997 /nfs/dbraw/zinc/71/59/97/584715997.db2.gz UOUIJEACDNZGKF-QWRGUYRKSA-N 1 2 230.327 1.677 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903002035 584715999 /nfs/dbraw/zinc/71/59/99/584715999.db2.gz UOUIJEACDNZGKF-QWRGUYRKSA-N 1 2 230.327 1.677 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](F)C1)N1CCCCCC1 ZINC000903002707 584716190 /nfs/dbraw/zinc/71/61/90/584716190.db2.gz FIMHDGUATKKMDJ-GFCCVEGCSA-N 1 2 242.338 1.823 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)N1CCCCCC1 ZINC000903002707 584716191 /nfs/dbraw/zinc/71/61/91/584716191.db2.gz FIMHDGUATKKMDJ-GFCCVEGCSA-N 1 2 242.338 1.823 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003775 584716929 /nfs/dbraw/zinc/71/69/29/584716929.db2.gz RACAEDLDPMHMIQ-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003775 584716930 /nfs/dbraw/zinc/71/69/30/584716930.db2.gz RACAEDLDPMHMIQ-NEPJUHHUSA-N 1 2 242.338 1.821 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003845 584717088 /nfs/dbraw/zinc/71/70/88/584717088.db2.gz SQVPXIRWEHMNBB-JTQLQIEISA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003845 584717089 /nfs/dbraw/zinc/71/70/89/584717089.db2.gz SQVPXIRWEHMNBB-JTQLQIEISA-N 1 2 216.300 1.193 20 0 BDADLO OCC(F)(F)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000903151694 584732122 /nfs/dbraw/zinc/73/21/22/584732122.db2.gz IACJEGGRRIEVGJ-SECBINFHSA-N 1 2 235.274 1.305 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC000903397352 584757463 /nfs/dbraw/zinc/75/74/63/584757463.db2.gz XGLHRXKRTRBEPA-VHSKPIJISA-N 1 2 209.293 1.404 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)CC(C)=NO1 ZINC000903378723 584757579 /nfs/dbraw/zinc/75/75/79/584757579.db2.gz YAHAKXYJHAZZHE-ZDUSSCGKSA-N 1 2 247.298 1.559 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]C/C=C\Cl ZINC000903446586 584769860 /nfs/dbraw/zinc/76/98/60/584769860.db2.gz ZEDOXSACLOGXBP-SYDCGGLASA-N 1 2 201.657 1.781 20 0 BDADLO O=C(CCN1CC=CC[NH2+]1)Nc1ccc(F)cc1 ZINC000903488825 584780554 /nfs/dbraw/zinc/78/05/54/584780554.db2.gz ZHMSKGXDMCGDQB-UHFFFAOYSA-N 1 2 249.289 1.531 20 0 BDADLO CC[C@@](C)(O)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000903990727 584836396 /nfs/dbraw/zinc/83/63/96/584836396.db2.gz YRYXDRQMWWKJJB-CYBMUJFWSA-N 1 2 247.298 1.981 20 0 BDADLO Cc1ccc(NC(=O)NCCCON)c(C)[nH+]1 ZINC000904371498 584873179 /nfs/dbraw/zinc/87/31/79/584873179.db2.gz OQVMQRYNBVXXLH-UHFFFAOYSA-N 1 2 238.291 1.100 20 0 BDADLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N)nn2)n1 ZINC000904366015 584874951 /nfs/dbraw/zinc/87/49/51/584874951.db2.gz CVBGJJVFBIPBSO-MRVPVSSYSA-N 1 2 249.343 1.675 20 0 BDADLO Clc1cscc1C[NH2+][C@@H]1CNOC1 ZINC000904424695 584880702 /nfs/dbraw/zinc/88/07/02/584880702.db2.gz KHEHTFRPKYLZOD-SSDOTTSWSA-N 1 2 218.709 1.395 20 0 BDADLO c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CNOC1 ZINC000904421529 584882320 /nfs/dbraw/zinc/88/23/20/584882320.db2.gz ILXSWCTVQMJAMW-LLVKDONJSA-N 1 2 245.282 1.335 20 0 BDADLO C[N@H+](Cn1cccnc1=S)[C@@H]1CCOC1 ZINC000730259894 584897236 /nfs/dbraw/zinc/89/72/36/584897236.db2.gz XTRNBUBFJGGQDS-SECBINFHSA-N 1 2 225.317 1.291 20 0 BDADLO C[N@@H+](Cn1cccnc1=S)[C@@H]1CCOC1 ZINC000730259894 584897237 /nfs/dbraw/zinc/89/72/37/584897237.db2.gz XTRNBUBFJGGQDS-SECBINFHSA-N 1 2 225.317 1.291 20 0 BDADLO CCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000731906990 584931107 /nfs/dbraw/zinc/93/11/07/584931107.db2.gz BGENMQLBHWJJMM-UHFFFAOYSA-N 1 2 204.229 1.901 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C(C)C)n2)o1 ZINC000731974992 584932494 /nfs/dbraw/zinc/93/24/94/584932494.db2.gz NLRWWYOHHYUEEJ-UHFFFAOYSA-N 1 2 233.275 1.904 20 0 BDADLO CC(C)c1nc(NCCCn2cncn2)cc[nH+]1 ZINC000731967415 584932654 /nfs/dbraw/zinc/93/26/54/584932654.db2.gz DSGYRHLNFTUWBS-UHFFFAOYSA-N 1 2 246.318 1.694 20 0 BDADLO Cc1nn(C)c(C)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000732199125 584934638 /nfs/dbraw/zinc/93/46/38/584934638.db2.gz KUZXZWLNYAGCDG-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO C/C(=C/Cl)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000788049106 584940855 /nfs/dbraw/zinc/94/08/55/584940855.db2.gz DQPHHRCCNYZUNJ-BAQGIRSFSA-N 1 2 248.735 1.478 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CN2CCCC2=O)on1 ZINC000733293590 584945960 /nfs/dbraw/zinc/94/59/60/584945960.db2.gz QDWLUZHJFKWAFM-LLVKDONJSA-N 1 2 249.314 1.700 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CN2CCCC2=O)on1 ZINC000733293590 584945961 /nfs/dbraw/zinc/94/59/61/584945961.db2.gz QDWLUZHJFKWAFM-LLVKDONJSA-N 1 2 249.314 1.700 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H](O)c1ccccc1F ZINC000733997722 584956267 /nfs/dbraw/zinc/95/62/67/584956267.db2.gz UVMWIKIWLXWPNQ-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H](O)c1ccccc1F ZINC000733997722 584956268 /nfs/dbraw/zinc/95/62/68/584956268.db2.gz UVMWIKIWLXWPNQ-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO Cc1nonc1C[N@H+]1CCS[C@H](C)C1 ZINC000734148872 584957666 /nfs/dbraw/zinc/95/76/66/584957666.db2.gz ORYNRDZFXRDQHX-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nonc1C[N@@H+]1CCS[C@H](C)C1 ZINC000734148872 584957665 /nfs/dbraw/zinc/95/76/65/584957665.db2.gz ORYNRDZFXRDQHX-SSDOTTSWSA-N 1 2 213.306 1.315 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)C1CCCC1 ZINC000890109683 585023865 /nfs/dbraw/zinc/02/38/65/585023865.db2.gz FFYIFFNQUQPTJG-SNVBAGLBSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C\C2CCOCC2)c1 ZINC000890113836 585024016 /nfs/dbraw/zinc/02/40/16/585024016.db2.gz QRHQOBSDVYNBCP-IHWYPQMZSA-N 1 2 249.314 1.019 20 0 BDADLO CC[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788083320 585030559 /nfs/dbraw/zinc/03/05/59/585030559.db2.gz KGVSPSGROFMPJZ-UWVGGRQHSA-N 1 2 217.284 1.620 20 0 BDADLO CC[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788083320 585030560 /nfs/dbraw/zinc/03/05/60/585030560.db2.gz KGVSPSGROFMPJZ-UWVGGRQHSA-N 1 2 217.284 1.620 20 0 BDADLO C/C=C\C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000737834571 585038650 /nfs/dbraw/zinc/03/86/50/585038650.db2.gz BASPBELNSJZABW-GQPNGRKGSA-N 1 2 219.288 1.692 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccccc1 ZINC000788085785 585039077 /nfs/dbraw/zinc/03/90/77/585039077.db2.gz WVKPBQVXQSFARP-GFCCVEGCSA-N 1 2 237.274 1.887 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccccc1 ZINC000788085785 585039078 /nfs/dbraw/zinc/03/90/78/585039078.db2.gz WVKPBQVXQSFARP-GFCCVEGCSA-N 1 2 237.274 1.887 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccoc1 ZINC000788086259 585039390 /nfs/dbraw/zinc/03/93/90/585039390.db2.gz YISHHLXHOTWBPR-JTQLQIEISA-N 1 2 227.235 1.480 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccoc1 ZINC000788086259 585039391 /nfs/dbraw/zinc/03/93/91/585039391.db2.gz YISHHLXHOTWBPR-JTQLQIEISA-N 1 2 227.235 1.480 20 0 BDADLO CCC1(C)CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000838632928 585064260 /nfs/dbraw/zinc/06/42/60/585064260.db2.gz IIEXMEVWFWFNPC-SNVBAGLBSA-N 1 2 248.330 1.769 20 0 BDADLO CCn1ncc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000838802132 585069107 /nfs/dbraw/zinc/06/91/07/585069107.db2.gz MAWCXHBKMCSVQR-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000838802132 585069108 /nfs/dbraw/zinc/06/91/08/585069108.db2.gz MAWCXHBKMCSVQR-GFCCVEGCSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@H](C(=O)OCc1c[nH+]cn1C)C1CCC1 ZINC000838810467 585071038 /nfs/dbraw/zinc/07/10/38/585071038.db2.gz MVOOYJMACSEGIM-SECBINFHSA-N 1 2 222.288 1.900 20 0 BDADLO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccn[nH]1 ZINC000838900939 585080022 /nfs/dbraw/zinc/08/00/22/585080022.db2.gz RAYAVDPUKDVKQX-UHFFFAOYSA-N 1 2 239.319 1.479 20 0 BDADLO CCC(CC)([NH2+]C[C@H](O)C1CC1)C(=O)OC ZINC000838931016 585081374 /nfs/dbraw/zinc/08/13/74/585081374.db2.gz STLUUAMUIBOFQV-JTQLQIEISA-N 1 2 229.320 1.079 20 0 BDADLO CCn1ncc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000839016455 585087554 /nfs/dbraw/zinc/08/75/54/585087554.db2.gz UDLFGZZNSDNVSS-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CCn1ncc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000839016455 585087555 /nfs/dbraw/zinc/08/75/55/585087555.db2.gz UDLFGZZNSDNVSS-UHFFFAOYSA-N 1 2 220.320 1.674 20 0 BDADLO CCn1ncc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000839107328 585091475 /nfs/dbraw/zinc/09/14/75/585091475.db2.gz GSGUTIGVFBCSAN-LBPRGKRZSA-N 1 2 234.347 1.918 20 0 BDADLO CCn1ncc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000839107328 585091476 /nfs/dbraw/zinc/09/14/76/585091476.db2.gz GSGUTIGVFBCSAN-LBPRGKRZSA-N 1 2 234.347 1.918 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H](SC)C2)n1 ZINC000839125619 585093208 /nfs/dbraw/zinc/09/32/08/585093208.db2.gz KJEUEUOYUHEOGT-SNVBAGLBSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H](SC)C2)n1 ZINC000839125619 585093209 /nfs/dbraw/zinc/09/32/09/585093209.db2.gz KJEUEUOYUHEOGT-SNVBAGLBSA-N 1 2 226.349 1.235 20 0 BDADLO CC(C)C1(O)CN(Cc2cccc3[nH+]ccn32)C1 ZINC000839132623 585094210 /nfs/dbraw/zinc/09/42/10/585094210.db2.gz FDFJJUHDDDMRCD-UHFFFAOYSA-N 1 2 245.326 1.537 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccc3nccn32)C1 ZINC000839132623 585094211 /nfs/dbraw/zinc/09/42/11/585094211.db2.gz FDFJJUHDDDMRCD-UHFFFAOYSA-N 1 2 245.326 1.537 20 0 BDADLO OCCC1C[NH+](Cc2ccnc(Cl)c2F)C1 ZINC000839136182 585094314 /nfs/dbraw/zinc/09/43/14/585094314.db2.gz NEGXWAAPWJUONP-UHFFFAOYSA-N 1 2 244.697 1.688 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1cnn(C)n1 ZINC000839173791 585096322 /nfs/dbraw/zinc/09/63/22/585096322.db2.gz KNUARAZKPJNIHB-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1cnn(C)n1 ZINC000839173791 585096323 /nfs/dbraw/zinc/09/63/23/585096323.db2.gz KNUARAZKPJNIHB-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)CC1(F)F ZINC000886277572 585116983 /nfs/dbraw/zinc/11/69/83/585116983.db2.gz VPDSAUYZBIPXFD-MXWKQRLJSA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)CC1(F)F ZINC000886277572 585116984 /nfs/dbraw/zinc/11/69/84/585116984.db2.gz VPDSAUYZBIPXFD-MXWKQRLJSA-N 1 2 247.285 1.115 20 0 BDADLO C[N@H+](CN1C(=O)c2ccccc2C1=O)C1CCC1 ZINC000742172577 585122399 /nfs/dbraw/zinc/12/23/99/585122399.db2.gz GCCSSOOGEWCXHJ-UHFFFAOYSA-N 1 2 244.294 1.724 20 0 BDADLO C[N@@H+](CN1C(=O)c2ccccc2C1=O)C1CCC1 ZINC000742172577 585122400 /nfs/dbraw/zinc/12/24/00/585122400.db2.gz GCCSSOOGEWCXHJ-UHFFFAOYSA-N 1 2 244.294 1.724 20 0 BDADLO CCOCCCO[NH+]=C(N)COC(C)C ZINC000742357262 585124669 /nfs/dbraw/zinc/12/46/69/585124669.db2.gz RMQSBUHTECBVIG-UHFFFAOYSA-N 1 2 218.297 1.336 20 0 BDADLO CC1(CO[NH+]=C(N)Cc2cccs2)COC1 ZINC000742360078 585124927 /nfs/dbraw/zinc/12/49/27/585124927.db2.gz WXTZXDJNRDDEFW-UHFFFAOYSA-N 1 2 240.328 1.826 20 0 BDADLO COCCOC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000743480864 585137625 /nfs/dbraw/zinc/13/76/25/585137625.db2.gz QNVCDOWSVCQSRV-RKDXNWHRSA-N 1 2 243.307 1.080 20 0 BDADLO COC(=O)C[N@H+](C/C=C\Cl)C1CCOCC1 ZINC000743872817 585141623 /nfs/dbraw/zinc/14/16/23/585141623.db2.gz ANHMELKDWWTJKU-DJWKRKHSSA-N 1 2 247.722 1.393 20 0 BDADLO COC(=O)C[N@@H+](C/C=C\Cl)C1CCOCC1 ZINC000743872817 585141624 /nfs/dbraw/zinc/14/16/24/585141624.db2.gz ANHMELKDWWTJKU-DJWKRKHSSA-N 1 2 247.722 1.393 20 0 BDADLO CCn1cnn(C[N@H+](C)CC(C)C)c1=S ZINC000744151963 585144628 /nfs/dbraw/zinc/14/46/28/585144628.db2.gz NYTCLKUEKNJXGZ-UHFFFAOYSA-N 1 2 228.365 1.979 20 0 BDADLO CCn1cnn(C[N@@H+](C)CC(C)C)c1=S ZINC000744151963 585144629 /nfs/dbraw/zinc/14/46/29/585144629.db2.gz NYTCLKUEKNJXGZ-UHFFFAOYSA-N 1 2 228.365 1.979 20 0 BDADLO Cc1ncc(CO[NH+]=C(N)COC(C)C)s1 ZINC000744179530 585145276 /nfs/dbraw/zinc/14/52/76/585145276.db2.gz YFAODHAYQVBISO-UHFFFAOYSA-N 1 2 243.332 1.875 20 0 BDADLO COC1C[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000744399721 585149635 /nfs/dbraw/zinc/14/96/35/585149635.db2.gz XXIHSOAFTZQTLV-LBPRGKRZSA-N 1 2 241.718 1.704 20 0 BDADLO Cc1cnc(COC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC000745079853 585156022 /nfs/dbraw/zinc/15/60/22/585156022.db2.gz QDZHNNBDABNXOG-SNVBAGLBSA-N 1 2 238.287 1.511 20 0 BDADLO Cc1cnc(COC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC000745079853 585156023 /nfs/dbraw/zinc/15/60/23/585156023.db2.gz QDZHNNBDABNXOG-SNVBAGLBSA-N 1 2 238.287 1.511 20 0 BDADLO O=c1sccn1C[N@@H+]1CCc2ccccc2C1 ZINC000746600941 585170867 /nfs/dbraw/zinc/17/08/67/585170867.db2.gz UELSVAAFLKKXMT-UHFFFAOYSA-N 1 2 246.335 1.926 20 0 BDADLO O=c1sccn1C[N@H+]1CCc2ccccc2C1 ZINC000746600941 585170868 /nfs/dbraw/zinc/17/08/68/585170868.db2.gz UELSVAAFLKKXMT-UHFFFAOYSA-N 1 2 246.335 1.926 20 0 BDADLO C[C@H]1SCC[N@H+](Cn2ccsc2=O)[C@H]1C ZINC000746618268 585171317 /nfs/dbraw/zinc/17/13/17/585171317.db2.gz GDGNIXKJKCGYRY-DTWKUNHWSA-N 1 2 244.385 1.693 20 0 BDADLO C[C@H]1SCC[N@@H+](Cn2ccsc2=O)[C@H]1C ZINC000746618268 585171318 /nfs/dbraw/zinc/17/13/18/585171318.db2.gz GDGNIXKJKCGYRY-DTWKUNHWSA-N 1 2 244.385 1.693 20 0 BDADLO CC[N@H+](CC(=O)NC)[C@H](C)c1ccccc1F ZINC000746657363 585171734 /nfs/dbraw/zinc/17/17/34/585171734.db2.gz FLQAUQIGUPXRRZ-SNVBAGLBSA-N 1 2 238.306 1.955 20 0 BDADLO CC[N@@H+](CC(=O)NC)[C@H](C)c1ccccc1F ZINC000746657363 585171735 /nfs/dbraw/zinc/17/17/35/585171735.db2.gz FLQAUQIGUPXRRZ-SNVBAGLBSA-N 1 2 238.306 1.955 20 0 BDADLO CCCC[N@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000746658658 585171980 /nfs/dbraw/zinc/17/19/80/585171980.db2.gz UVNGURHURWLVQP-UHFFFAOYSA-N 1 2 249.358 1.812 20 0 BDADLO CCCC[N@@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000746658658 585171981 /nfs/dbraw/zinc/17/19/81/585171981.db2.gz UVNGURHURWLVQP-UHFFFAOYSA-N 1 2 249.358 1.812 20 0 BDADLO CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000747240136 585176982 /nfs/dbraw/zinc/17/69/82/585176982.db2.gz QBOHDMIWUIAWDT-UHFFFAOYSA-N 1 2 244.298 1.355 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1CC=CC1 ZINC000747783638 585184150 /nfs/dbraw/zinc/18/41/50/585184150.db2.gz SGTSBKIMCTVMPM-UHFFFAOYSA-N 1 2 206.245 1.430 20 0 BDADLO NC(Cc1cccs1)=[NH+]OC[C@H]1CCOC1 ZINC000747836085 585185131 /nfs/dbraw/zinc/18/51/31/585185131.db2.gz QUJHCCHCRPNKOV-VIFPVBQESA-N 1 2 240.328 1.826 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)C1CC1 ZINC000748407035 585192489 /nfs/dbraw/zinc/19/24/89/585192489.db2.gz YGMGBSVMQHUJMB-MRVPVSSYSA-N 1 2 221.304 1.771 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CCS(C)(=O)=O ZINC000750043334 585209546 /nfs/dbraw/zinc/20/95/46/585209546.db2.gz IAJROXKBPMFLQV-JTQLQIEISA-N 1 2 242.344 1.119 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CCS(C)(=O)=O ZINC000750043334 585209547 /nfs/dbraw/zinc/20/95/47/585209547.db2.gz IAJROXKBPMFLQV-JTQLQIEISA-N 1 2 242.344 1.119 20 0 BDADLO CCC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750070658 585209974 /nfs/dbraw/zinc/20/99/74/585209974.db2.gz YYGDPJULLFMZCS-JTQLQIEISA-N 1 2 237.303 1.730 20 0 BDADLO CCC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750070658 585209975 /nfs/dbraw/zinc/20/99/75/585209975.db2.gz YYGDPJULLFMZCS-JTQLQIEISA-N 1 2 237.303 1.730 20 0 BDADLO Cn1cc(C[N@H+](C)CCF)c(C(F)(F)F)n1 ZINC000750164153 585211638 /nfs/dbraw/zinc/21/16/38/585211638.db2.gz FTSZHQCFMHKIQC-UHFFFAOYSA-N 1 2 239.216 1.840 20 0 BDADLO Cn1cc(C[N@@H+](C)CCF)c(C(F)(F)F)n1 ZINC000750164153 585211639 /nfs/dbraw/zinc/21/16/39/585211639.db2.gz FTSZHQCFMHKIQC-UHFFFAOYSA-N 1 2 239.216 1.840 20 0 BDADLO O[C@H](C[N@@H+]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000750721145 585218832 /nfs/dbraw/zinc/21/88/32/585218832.db2.gz LOFFOIMTEGVQEY-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO O[C@H](C[N@H+]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000750721145 585218833 /nfs/dbraw/zinc/21/88/33/585218833.db2.gz LOFFOIMTEGVQEY-CQSZACIVSA-N 1 2 243.310 1.501 20 0 BDADLO Nc1ccc(CCC(=O)OCCC2CC2)c[nH+]1 ZINC000751441294 585230425 /nfs/dbraw/zinc/23/04/25/585230425.db2.gz CDUKJTLOSKOTPP-UHFFFAOYSA-N 1 2 234.299 1.940 20 0 BDADLO CS/C=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000751560311 585232737 /nfs/dbraw/zinc/23/27/37/585232737.db2.gz QDSZSNDDUKLKBD-RWIWAZIYSA-N 1 2 225.317 1.265 20 0 BDADLO CS/C=C\C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000751581296 585233675 /nfs/dbraw/zinc/23/36/75/585233675.db2.gz ZNQJTBGFIRRWNZ-UTCJRWHESA-N 1 2 211.290 1.245 20 0 BDADLO CC(C)CC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000751669034 585235029 /nfs/dbraw/zinc/23/50/29/585235029.db2.gz SZVYOIZLBSQSMD-GFCCVEGCSA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)CC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000751669034 585235030 /nfs/dbraw/zinc/23/50/30/585235030.db2.gz SZVYOIZLBSQSMD-GFCCVEGCSA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)OCCCC(=O)OCCn1cc[nH+]c1 ZINC000751742886 585235879 /nfs/dbraw/zinc/23/58/79/585235879.db2.gz YBCPOKVGYDWJCR-UHFFFAOYSA-N 1 2 240.303 1.632 20 0 BDADLO Cn1c[nH+]cc1CONC(=O)C(C)(C)C ZINC000753118974 585253849 /nfs/dbraw/zinc/25/38/49/585253849.db2.gz OYLNWPGDBTWLTR-UHFFFAOYSA-N 1 2 211.265 1.014 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)c(C)o1 ZINC000753145360 585254435 /nfs/dbraw/zinc/25/44/35/585254435.db2.gz ZCDQMYXVVYYQLO-UHFFFAOYSA-N 1 2 234.255 1.987 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)(C)C ZINC000753722115 585266972 /nfs/dbraw/zinc/26/69/72/585266972.db2.gz HHSXUMIZNGCVAO-SNVBAGLBSA-N 1 2 240.347 1.202 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000753722115 585266973 /nfs/dbraw/zinc/26/69/73/585266973.db2.gz HHSXUMIZNGCVAO-SNVBAGLBSA-N 1 2 240.347 1.202 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)(C)C ZINC000753722114 585267124 /nfs/dbraw/zinc/26/71/24/585267124.db2.gz HHSXUMIZNGCVAO-JTQLQIEISA-N 1 2 240.347 1.202 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)(C)C ZINC000753722114 585267125 /nfs/dbraw/zinc/26/71/25/585267125.db2.gz HHSXUMIZNGCVAO-JTQLQIEISA-N 1 2 240.347 1.202 20 0 BDADLO CCC(=O)CC[N@@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000753771727 585268821 /nfs/dbraw/zinc/26/88/21/585268821.db2.gz VNXAAHXGOZCUBV-GFCCVEGCSA-N 1 2 240.347 1.298 20 0 BDADLO CCC(=O)CC[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000753771727 585268822 /nfs/dbraw/zinc/26/88/22/585268822.db2.gz VNXAAHXGOZCUBV-GFCCVEGCSA-N 1 2 240.347 1.298 20 0 BDADLO CO[C@H]1CC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000753796789 585269314 /nfs/dbraw/zinc/26/93/14/585269314.db2.gz UUFMTCBZUWGSAS-VIFPVBQESA-N 1 2 229.711 1.523 20 0 BDADLO CO[C@H]1CC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000753796789 585269315 /nfs/dbraw/zinc/26/93/15/585269315.db2.gz UUFMTCBZUWGSAS-VIFPVBQESA-N 1 2 229.711 1.523 20 0 BDADLO CC(C)CCO[NH+]=C(N)COC(C)C ZINC000754278068 585281776 /nfs/dbraw/zinc/28/17/76/585281776.db2.gz QTVRJLKBCFFXTR-UHFFFAOYSA-N 1 2 202.298 1.956 20 0 BDADLO C/C(=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000754365980 585283161 /nfs/dbraw/zinc/28/31/61/585283161.db2.gz ISAPIAQOAKJANU-WDDYJBPVSA-N 1 2 245.326 1.740 20 0 BDADLO CC(=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000754365980 585283162 /nfs/dbraw/zinc/28/31/62/585283162.db2.gz ISAPIAQOAKJANU-WDDYJBPVSA-N 1 2 245.326 1.740 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC1CCC1 ZINC000754685292 585289397 /nfs/dbraw/zinc/28/93/97/585289397.db2.gz BPFKQVDJCYEDNM-UHFFFAOYSA-N 1 2 208.261 1.654 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)c(C)[nH]1 ZINC000754686407 585289429 /nfs/dbraw/zinc/28/94/29/585289429.db2.gz ZKVUIPYOQWMXLL-UHFFFAOYSA-N 1 2 233.271 1.722 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cc(C2CC2)[nH]n1 ZINC000754684973 585289583 /nfs/dbraw/zinc/28/95/83/585289583.db2.gz NMNDWRQMLXWBOZ-UHFFFAOYSA-N 1 2 246.270 1.378 20 0 BDADLO O=C(C=C1CCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000755313969 585297641 /nfs/dbraw/zinc/29/76/41/585297641.db2.gz UQIMMUARHLLHPY-UHFFFAOYSA-N 1 2 244.294 1.782 20 0 BDADLO Cc1ccc(NC(=O)C2=COCC2)c(C)[nH+]1 ZINC000755621549 585302578 /nfs/dbraw/zinc/30/25/78/585302578.db2.gz SZVDPQAOJMZIPV-UHFFFAOYSA-N 1 2 218.256 1.941 20 0 BDADLO Cc1ccc(NC(=O)N[C@H](CO)C2CC2)c(C)[nH+]1 ZINC000755856212 585308703 /nfs/dbraw/zinc/30/87/03/585308703.db2.gz NCVSSWNGDHTAKH-GFCCVEGCSA-N 1 2 249.314 1.591 20 0 BDADLO C/C=C/C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756138537 585315129 /nfs/dbraw/zinc/31/51/29/585315129.db2.gz BCISGKVDVKVQFA-FSIBCCDJSA-N 1 2 219.288 1.312 20 0 BDADLO CC[C@H](O)C[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000839631732 585332953 /nfs/dbraw/zinc/33/29/53/585332953.db2.gz AGHWWJLVJZPJJN-AWEZNQCLSA-N 1 2 233.311 1.976 20 0 BDADLO CC[C@H](O)C[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000839631732 585332954 /nfs/dbraw/zinc/33/29/54/585332954.db2.gz AGHWWJLVJZPJJN-AWEZNQCLSA-N 1 2 233.311 1.976 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000839660599 585334185 /nfs/dbraw/zinc/33/41/85/585334185.db2.gz NDBSFJNUKYLZIL-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(F)(F)F ZINC000758330032 585354037 /nfs/dbraw/zinc/35/40/37/585354037.db2.gz GZTODWZUQQRSMR-POYBYMJQSA-N 1 2 236.237 1.148 20 0 BDADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(F)(F)F ZINC000758330032 585354038 /nfs/dbraw/zinc/35/40/38/585354038.db2.gz GZTODWZUQQRSMR-POYBYMJQSA-N 1 2 236.237 1.148 20 0 BDADLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cocn1 ZINC000758342425 585354437 /nfs/dbraw/zinc/35/44/37/585354437.db2.gz MREYRKSZIPEDFK-GFCCVEGCSA-N 1 2 244.298 1.940 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC[C@H]1CCCCO1 ZINC000758763424 585359575 /nfs/dbraw/zinc/35/95/75/585359575.db2.gz VBJRAUWNKXMLQQ-LLVKDONJSA-N 1 2 244.335 1.869 20 0 BDADLO COCCCO[NH+]=C(N)Cc1cccs1 ZINC000758759474 585359587 /nfs/dbraw/zinc/35/95/87/585359587.db2.gz CGPOZRWQGVVYNP-UHFFFAOYSA-N 1 2 228.317 1.826 20 0 BDADLO C[N@H+](CCF)CC(=O)NCc1cccs1 ZINC000759341521 585368936 /nfs/dbraw/zinc/36/89/36/585368936.db2.gz HIOGNVUHPPEPKQ-UHFFFAOYSA-N 1 2 230.308 1.266 20 0 BDADLO C[N@@H+](CCF)CC(=O)NCc1cccs1 ZINC000759341521 585368937 /nfs/dbraw/zinc/36/89/37/585368937.db2.gz HIOGNVUHPPEPKQ-UHFFFAOYSA-N 1 2 230.308 1.266 20 0 BDADLO C[N@H+](CCF)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000759346087 585370197 /nfs/dbraw/zinc/37/01/97/585370197.db2.gz WHQXUQWHAGECSW-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO C[N@@H+](CCF)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000759346087 585370198 /nfs/dbraw/zinc/37/01/98/585370198.db2.gz WHQXUQWHAGECSW-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO C[N@H+](CCF)Cc1ccc([S@](C)=O)cc1 ZINC000759348139 585370745 /nfs/dbraw/zinc/37/07/45/585370745.db2.gz ZOYDLFTWCWIILN-HNNXBMFYSA-N 1 2 229.320 1.825 20 0 BDADLO C[N@@H+](CCF)Cc1ccc([S@](C)=O)cc1 ZINC000759348139 585370746 /nfs/dbraw/zinc/37/07/46/585370746.db2.gz ZOYDLFTWCWIILN-HNNXBMFYSA-N 1 2 229.320 1.825 20 0 BDADLO C[C@H](c1ccccc1)[N@H+](CCF)CC(N)=O ZINC000759370595 585371699 /nfs/dbraw/zinc/37/16/99/585371699.db2.gz GCWYNEUPWABUKB-SNVBAGLBSA-N 1 2 224.279 1.504 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+](CCF)CC(N)=O ZINC000759370595 585371700 /nfs/dbraw/zinc/37/17/00/585371700.db2.gz GCWYNEUPWABUKB-SNVBAGLBSA-N 1 2 224.279 1.504 20 0 BDADLO C[C@H]1CC[N@H+](CCC(=O)C2CC2)CC[S@]1=O ZINC000759875572 585382128 /nfs/dbraw/zinc/38/21/28/585382128.db2.gz OPILABNRWXWRFC-MGPLVRAMSA-N 1 2 243.372 1.199 20 0 BDADLO C[C@H]1CC[N@@H+](CCC(=O)C2CC2)CC[S@]1=O ZINC000759875572 585382129 /nfs/dbraw/zinc/38/21/29/585382129.db2.gz OPILABNRWXWRFC-MGPLVRAMSA-N 1 2 243.372 1.199 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000759874374 585382145 /nfs/dbraw/zinc/38/21/45/585382145.db2.gz IUXHPXUWPHGEOF-BMIGLBTASA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000759874374 585382146 /nfs/dbraw/zinc/38/21/46/585382146.db2.gz IUXHPXUWPHGEOF-BMIGLBTASA-N 1 2 231.361 1.199 20 0 BDADLO Cc1nonc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000759914103 585382557 /nfs/dbraw/zinc/38/25/57/585382557.db2.gz FFFHDADLUDVFAK-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO Cc1nonc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000759914103 585382558 /nfs/dbraw/zinc/38/25/58/585382558.db2.gz FFFHDADLUDVFAK-UHFFFAOYSA-N 1 2 237.303 1.381 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1C(=O)CC12CCC2 ZINC000760401793 585391974 /nfs/dbraw/zinc/39/19/74/585391974.db2.gz MNRHXAFLXXORQN-UHFFFAOYSA-N 1 2 247.342 1.569 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1C(=O)CC12CCC2 ZINC000760401793 585391975 /nfs/dbraw/zinc/39/19/75/585391975.db2.gz MNRHXAFLXXORQN-UHFFFAOYSA-N 1 2 247.342 1.569 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000760740019 585396682 /nfs/dbraw/zinc/39/66/82/585396682.db2.gz QNVPMJXSLWKZML-LLVKDONJSA-N 1 2 246.314 1.869 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@H]3C[C@H]32)s1 ZINC000761085128 585407305 /nfs/dbraw/zinc/40/73/05/585407305.db2.gz ALWXGRPXXBKTPB-JGVFFNPUSA-N 1 2 225.317 1.531 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@H]3C[C@H]32)s1 ZINC000761085128 585407306 /nfs/dbraw/zinc/40/73/06/585407306.db2.gz ALWXGRPXXBKTPB-JGVFFNPUSA-N 1 2 225.317 1.531 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)OCc1ccccc1 ZINC000761087530 585407709 /nfs/dbraw/zinc/40/77/09/585407709.db2.gz GPYXVOIYLDWELQ-OLZOCXBDSA-N 1 2 231.295 1.824 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)OCc1ccccc1 ZINC000761087530 585407710 /nfs/dbraw/zinc/40/77/10/585407710.db2.gz GPYXVOIYLDWELQ-OLZOCXBDSA-N 1 2 231.295 1.824 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)OCc1ccccc1 ZINC000761106506 585409823 /nfs/dbraw/zinc/40/98/23/585409823.db2.gz WNIXERAQYGFZJK-DGCLKSJQSA-N 1 2 249.310 1.185 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)OCc1ccccc1 ZINC000761106506 585409824 /nfs/dbraw/zinc/40/98/24/585409824.db2.gz WNIXERAQYGFZJK-DGCLKSJQSA-N 1 2 249.310 1.185 20 0 BDADLO CCNC(=S)NCc1ccn2cc[nH+]c2c1 ZINC000761838540 585419645 /nfs/dbraw/zinc/41/96/45/585419645.db2.gz NMFVWDBFORRHSW-UHFFFAOYSA-N 1 2 234.328 1.318 20 0 BDADLO C[C@@H]1CCC(=CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000762804690 585437641 /nfs/dbraw/zinc/43/76/41/585437641.db2.gz HUYCTSGXXAOMDT-SBMLRHLQSA-N 1 2 232.283 1.894 20 0 BDADLO c1nc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)co1 ZINC000762989366 585440889 /nfs/dbraw/zinc/44/08/89/585440889.db2.gz HWUMOTYWGAOSLP-LLVKDONJSA-N 1 2 238.287 1.402 20 0 BDADLO c1nc(C[N@H+]2CCCC[C@@H]2C2OCCO2)co1 ZINC000762989366 585440890 /nfs/dbraw/zinc/44/08/90/585440890.db2.gz HWUMOTYWGAOSLP-LLVKDONJSA-N 1 2 238.287 1.402 20 0 BDADLO Cc1ccccc1CC(=O)OCCn1cc[nH+]c1 ZINC000763115246 585443401 /nfs/dbraw/zinc/44/34/01/585443401.db2.gz LJPVKGXSAABQFI-UHFFFAOYSA-N 1 2 244.294 1.977 20 0 BDADLO C[C@@H]1[N@H+](CN2CCSC2=O)CCOC1(C)C ZINC000763212254 585444454 /nfs/dbraw/zinc/44/44/54/585444454.db2.gz OAPNDOILQMSEMV-VIFPVBQESA-N 1 2 244.360 1.612 20 0 BDADLO C[C@@H]1[N@@H+](CN2CCSC2=O)CCOC1(C)C ZINC000763212254 585444455 /nfs/dbraw/zinc/44/44/55/585444455.db2.gz OAPNDOILQMSEMV-VIFPVBQESA-N 1 2 244.360 1.612 20 0 BDADLO C[C@H]1[N@H+](CN2CCSC2=O)CCOC1(C)C ZINC000763212252 585444589 /nfs/dbraw/zinc/44/45/89/585444589.db2.gz OAPNDOILQMSEMV-SECBINFHSA-N 1 2 244.360 1.612 20 0 BDADLO C[C@H]1[N@@H+](CN2CCSC2=O)CCOC1(C)C ZINC000763212252 585444590 /nfs/dbraw/zinc/44/45/90/585444590.db2.gz OAPNDOILQMSEMV-SECBINFHSA-N 1 2 244.360 1.612 20 0 BDADLO C/C=C/C=C/C(=O)OCCCn1cc[nH+]c1 ZINC000763286296 585445837 /nfs/dbraw/zinc/44/58/37/585445837.db2.gz CHPJCEVUEZPEAT-WJPDYIDTSA-N 1 2 220.272 1.949 20 0 BDADLO O=C1O[C@@H](C[N@H+]2CCC=C(F)C2)CC12CC2 ZINC000763729589 585452924 /nfs/dbraw/zinc/45/29/24/585452924.db2.gz HSYPAWSSEOXOLG-SNVBAGLBSA-N 1 2 225.263 1.641 20 0 BDADLO O=C1O[C@@H](C[N@@H+]2CCC=C(F)C2)CC12CC2 ZINC000763729589 585452925 /nfs/dbraw/zinc/45/29/25/585452925.db2.gz HSYPAWSSEOXOLG-SNVBAGLBSA-N 1 2 225.263 1.641 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000764893466 585477386 /nfs/dbraw/zinc/47/73/86/585477386.db2.gz QIQWEWQNQILCDR-LLVKDONJSA-N 1 2 245.326 1.884 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000764893466 585477387 /nfs/dbraw/zinc/47/73/87/585477387.db2.gz QIQWEWQNQILCDR-LLVKDONJSA-N 1 2 245.326 1.884 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](O)C(C)(C)C ZINC000764948463 585478056 /nfs/dbraw/zinc/47/80/56/585478056.db2.gz OAJDFRYINHQIPT-JTQLQIEISA-N 1 2 238.287 1.436 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@H](C)[C@H]2C)C1 ZINC000765100002 585481032 /nfs/dbraw/zinc/48/10/32/585481032.db2.gz OACZFTYYAZOJIM-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCO[C@H](C)[C@H]2C)C1 ZINC000765100002 585481033 /nfs/dbraw/zinc/48/10/33/585481033.db2.gz OACZFTYYAZOJIM-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)nc1 ZINC000766209081 585498979 /nfs/dbraw/zinc/49/89/79/585498979.db2.gz FYDLXLSNPRTHAM-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C(C)C ZINC000805337106 585509137 /nfs/dbraw/zinc/50/91/37/585509137.db2.gz GJKAABZSVPKYIC-UHFFFAOYSA-N 1 2 209.245 1.789 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1C[C@@H]1C ZINC000805340525 585513031 /nfs/dbraw/zinc/51/30/31/585513031.db2.gz GEKZIJQTCYZOLK-WPRPVWTQSA-N 1 2 221.256 1.789 20 0 BDADLO C/C=C\C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768143315 585533237 /nfs/dbraw/zinc/53/32/37/585533237.db2.gz TXLRSTGWZRXVHT-MZBZXASESA-N 1 2 233.315 1.702 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000768471721 585538983 /nfs/dbraw/zinc/53/89/83/585538983.db2.gz NXMYJGRVYSQBBH-SSDOTTSWSA-N 1 2 225.267 1.131 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000768471721 585538984 /nfs/dbraw/zinc/53/89/84/585538984.db2.gz NXMYJGRVYSQBBH-SSDOTTSWSA-N 1 2 225.267 1.131 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769863626 585565510 /nfs/dbraw/zinc/56/55/10/585565510.db2.gz GGRJYXPFUPERHM-SFYZADRCSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769863626 585565511 /nfs/dbraw/zinc/56/55/11/585565511.db2.gz GGRJYXPFUPERHM-SFYZADRCSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769863627 585565635 /nfs/dbraw/zinc/56/56/35/585565635.db2.gz GGRJYXPFUPERHM-YUMQZZPRSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769863627 585565636 /nfs/dbraw/zinc/56/56/36/585565636.db2.gz GGRJYXPFUPERHM-YUMQZZPRSA-N 1 2 237.221 1.576 20 0 BDADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000770064135 585570474 /nfs/dbraw/zinc/57/04/74/585570474.db2.gz CENMTEIWSXOSBF-VIFPVBQESA-N 1 2 229.283 1.863 20 0 BDADLO COCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770397222 585573625 /nfs/dbraw/zinc/57/36/25/585573625.db2.gz VXUYEGVWZAWPLH-UHFFFAOYSA-N 1 2 233.271 1.101 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770409381 585573683 /nfs/dbraw/zinc/57/36/83/585573683.db2.gz RMKFPYWRNIIYRF-UWVGGRQHSA-N 1 2 229.283 1.720 20 0 BDADLO COCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770416617 585573966 /nfs/dbraw/zinc/57/39/66/585573966.db2.gz VHPUGSISVQUWSA-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO Cn1cc[nH+]c1CNc1cnn(CC(F)F)c1 ZINC000770455488 585574335 /nfs/dbraw/zinc/57/43/35/585574335.db2.gz NUDJHHLJBNELAR-UHFFFAOYSA-N 1 2 241.245 1.494 20 0 BDADLO Clc1ccc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000770663417 585579397 /nfs/dbraw/zinc/57/93/97/585579397.db2.gz CFAKRBMKIGTDQE-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ccc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000770663417 585579398 /nfs/dbraw/zinc/57/93/98/585579398.db2.gz CFAKRBMKIGTDQE-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Cc1ccc(-c2noc([C@H](C)[NH+](C)C)n2)c(=O)[nH]1 ZINC000771116327 585591088 /nfs/dbraw/zinc/59/10/88/585591088.db2.gz NWPJLOMUMLPEKJ-QMMMGPOBSA-N 1 2 248.286 1.768 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H](C)OC ZINC000805421906 585591513 /nfs/dbraw/zinc/59/15/13/585591513.db2.gz SIWLPAHSMNDPMA-QMMMGPOBSA-N 1 2 225.244 1.168 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000771449361 585594213 /nfs/dbraw/zinc/59/42/13/585594213.db2.gz UFMLHJAPUJMGFG-SNVBAGLBSA-N 1 2 238.287 1.493 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCC3(C2)OCCO3)o1 ZINC000771449361 585594214 /nfs/dbraw/zinc/59/42/14/585594214.db2.gz UFMLHJAPUJMGFG-SNVBAGLBSA-N 1 2 238.287 1.493 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](CO)C1CC1 ZINC000771804889 585600847 /nfs/dbraw/zinc/60/08/47/585600847.db2.gz SJEVBZBQYVTIFC-RYUDHWBXSA-N 1 2 243.347 1.325 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cncs1 ZINC000771899114 585604226 /nfs/dbraw/zinc/60/42/26/585604226.db2.gz VJGVYCUWUIHRNT-UHFFFAOYSA-N 1 2 223.257 1.197 20 0 BDADLO O=C(CC[C@@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000771915936 585604245 /nfs/dbraw/zinc/60/42/45/585604245.db2.gz LCPUNSBYDRTMRP-NSHDSACASA-N 1 2 238.287 1.386 20 0 BDADLO C/C(=C/C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000771921880 585604679 /nfs/dbraw/zinc/60/46/79/585604679.db2.gz GTFVSNZHIAHRLB-NTMALXAHSA-N 1 2 220.272 1.783 20 0 BDADLO C[C@H](OCC1CC1)C(=O)OCCn1cc[nH+]c1 ZINC000771935634 585604856 /nfs/dbraw/zinc/60/48/56/585604856.db2.gz BKBCEHDTURFEPI-JTQLQIEISA-N 1 2 238.287 1.241 20 0 BDADLO Cc1ccc(COC(=O)[C@H]2CCCO2)c(C)[nH+]1 ZINC000771933885 585605069 /nfs/dbraw/zinc/60/50/69/585605069.db2.gz KTUBSLXMLBYMTC-GFCCVEGCSA-N 1 2 235.283 1.921 20 0 BDADLO Cc1[nH]nc(C(=O)OCCn2cc[nH+]c2)c1C ZINC000771965173 585605691 /nfs/dbraw/zinc/60/56/91/585605691.db2.gz ODMRQTHKJNVSPH-UHFFFAOYSA-N 1 2 234.259 1.080 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CC12CCC2 ZINC000772005923 585606541 /nfs/dbraw/zinc/60/65/41/585606541.db2.gz XQZMMZBNMQXJGZ-SNVBAGLBSA-N 1 2 220.272 1.617 20 0 BDADLO O=C(Cc1ccco1)OCCn1cc[nH+]c1 ZINC000772004849 585606551 /nfs/dbraw/zinc/60/65/51/585606551.db2.gz SAYVCQQUDBYAGY-UHFFFAOYSA-N 1 2 220.228 1.262 20 0 BDADLO CC(C)(C)C[C@H](O)C(=O)OCCn1cc[nH+]c1 ZINC000772013826 585607011 /nfs/dbraw/zinc/60/70/11/585607011.db2.gz OUNYSUWNASCHML-JTQLQIEISA-N 1 2 240.303 1.223 20 0 BDADLO CCc1nn(C)cc1C(=O)OCCn1cc[nH+]c1 ZINC000772055105 585607717 /nfs/dbraw/zinc/60/77/17/585607717.db2.gz RVHZVBGAHMNFEG-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO Cc1cncc(C=CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000772697541 585621267 /nfs/dbraw/zinc/62/12/67/585621267.db2.gz LRNXILYSHUZNOB-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1cncc(C=CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000772697541 585621268 /nfs/dbraw/zinc/62/12/68/585621268.db2.gz LRNXILYSHUZNOB-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO CC(=O)C(C)(C)CCC(=O)NC1=[NH+]CCS1 ZINC000772706970 585621409 /nfs/dbraw/zinc/62/14/09/585621409.db2.gz FEJMOLNSEIZKRX-UHFFFAOYSA-N 1 2 242.344 1.601 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cn1cccnc1=S ZINC000772822227 585624585 /nfs/dbraw/zinc/62/45/85/585624585.db2.gz ORFNELZNXRPSPP-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cn1cccnc1=S ZINC000772822227 585624586 /nfs/dbraw/zinc/62/45/86/585624586.db2.gz ORFNELZNXRPSPP-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO CS/C=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811759 585624666 /nfs/dbraw/zinc/62/46/66/585624666.db2.gz HJAOXEDPUSQNFQ-ZJELKQJVSA-N 1 2 237.328 1.260 20 0 BDADLO CSC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811759 585624667 /nfs/dbraw/zinc/62/46/67/585624667.db2.gz HJAOXEDPUSQNFQ-ZJELKQJVSA-N 1 2 237.328 1.260 20 0 BDADLO CCCCCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805473099 585625532 /nfs/dbraw/zinc/62/55/32/585625532.db2.gz JRNWHGFDWJSPGV-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805473099 585625533 /nfs/dbraw/zinc/62/55/33/585625533.db2.gz JRNWHGFDWJSPGV-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC2CC2)C1 ZINC000805474630 585627170 /nfs/dbraw/zinc/62/71/70/585627170.db2.gz RCOVFUOWZJEQCO-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCC2CC2)C1 ZINC000805474630 585627171 /nfs/dbraw/zinc/62/71/71/585627171.db2.gz RCOVFUOWZJEQCO-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO COCCC1(C(=O)OCc2c[nH+]cn2C)CC1 ZINC000772990902 585629040 /nfs/dbraw/zinc/62/90/40/585629040.db2.gz ZNZJEEYOIUBDAE-UHFFFAOYSA-N 1 2 238.287 1.280 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)OCc1c[nH+]cn1C ZINC000774141030 585651481 /nfs/dbraw/zinc/65/14/81/585651481.db2.gz XEJDCGIGXJJWCB-GHMZBOCLSA-N 1 2 222.288 1.755 20 0 BDADLO COC1(C)CC[NH+](Cn2ccsc2=O)CC1 ZINC000774646149 585662568 /nfs/dbraw/zinc/66/25/68/585662568.db2.gz OKGYMJLGAUKMOX-UHFFFAOYSA-N 1 2 242.344 1.368 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000774728046 585664269 /nfs/dbraw/zinc/66/42/69/585664269.db2.gz KEVUFFXJGULQHD-SNVBAGLBSA-N 1 2 237.303 1.094 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000774728046 585664270 /nfs/dbraw/zinc/66/42/70/585664270.db2.gz KEVUFFXJGULQHD-SNVBAGLBSA-N 1 2 237.303 1.094 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000774905233 585668870 /nfs/dbraw/zinc/66/88/70/585668870.db2.gz YRKNZKAZKNNIDJ-LLVKDONJSA-N 1 2 219.288 1.461 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CCC=CO1)C2 ZINC000774905233 585668871 /nfs/dbraw/zinc/66/88/71/585668871.db2.gz YRKNZKAZKNNIDJ-LLVKDONJSA-N 1 2 219.288 1.461 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000774905233 585668872 /nfs/dbraw/zinc/66/88/72/585668872.db2.gz YRKNZKAZKNNIDJ-LLVKDONJSA-N 1 2 219.288 1.461 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@H]1CCC=CO1)C2 ZINC000774905233 585668873 /nfs/dbraw/zinc/66/88/73/585668873.db2.gz YRKNZKAZKNNIDJ-LLVKDONJSA-N 1 2 219.288 1.461 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccoc2)[C@@H](C)CN1C ZINC000775981032 585688169 /nfs/dbraw/zinc/68/81/69/585688169.db2.gz MBOWMCYWSVIZHL-MNOVXSKESA-N 1 2 208.305 1.804 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccoc2)[C@@H](C)CN1C ZINC000775981032 585688170 /nfs/dbraw/zinc/68/81/70/585688170.db2.gz MBOWMCYWSVIZHL-MNOVXSKESA-N 1 2 208.305 1.804 20 0 BDADLO O=C1CCN(Cc2c[nH+]c[nH]2)c2ccccc2N1 ZINC000776101468 585690213 /nfs/dbraw/zinc/69/02/13/585690213.db2.gz HUICXDIAAXGROP-UHFFFAOYSA-N 1 2 242.282 1.759 20 0 BDADLO O=C1CCN(Cc2c[nH]c[nH+]2)c2ccccc2N1 ZINC000776101468 585690214 /nfs/dbraw/zinc/69/02/14/585690214.db2.gz HUICXDIAAXGROP-UHFFFAOYSA-N 1 2 242.282 1.759 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000776521901 585699988 /nfs/dbraw/zinc/69/99/88/585699988.db2.gz WTQKKUCAZUFXTQ-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000776521901 585699989 /nfs/dbraw/zinc/69/99/89/585699989.db2.gz WTQKKUCAZUFXTQ-MRVPVSSYSA-N 1 2 210.277 1.365 20 0 BDADLO Cn1cc[nH+]c1CNc1nnc(C(C)(C)C)o1 ZINC000776721994 585703395 /nfs/dbraw/zinc/70/33/95/585703395.db2.gz VYGLRPFPYRWWCT-UHFFFAOYSA-N 1 2 235.291 1.713 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2Cn2cnnc2)no1 ZINC000776755555 585703902 /nfs/dbraw/zinc/70/39/02/585703902.db2.gz FGMPUDSHRVFCGW-LLVKDONJSA-N 1 2 233.275 1.369 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2Cn2cnnc2)no1 ZINC000776755555 585703903 /nfs/dbraw/zinc/70/39/03/585703903.db2.gz FGMPUDSHRVFCGW-LLVKDONJSA-N 1 2 233.275 1.369 20 0 BDADLO Cc1ncc(C(=O)OCCn2cc[nH+]c2)c(C)n1 ZINC000777196331 585709240 /nfs/dbraw/zinc/70/92/40/585709240.db2.gz BCLSMVMDGPOVFG-UHFFFAOYSA-N 1 2 246.270 1.147 20 0 BDADLO O=C(C1=COCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777455131 585712401 /nfs/dbraw/zinc/71/24/01/585712401.db2.gz KZPVINZQTZPMMZ-SNVBAGLBSA-N 1 2 233.271 1.377 20 0 BDADLO O=C(c1ncccn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777456922 585712797 /nfs/dbraw/zinc/71/27/97/585712797.db2.gz ZPTNHUUOHLHKCF-SECBINFHSA-N 1 2 243.270 1.177 20 0 BDADLO c1ccc([C@H]2COCC[N@H+]2CC2OCCO2)cc1 ZINC000777593296 585716613 /nfs/dbraw/zinc/71/66/13/585716613.db2.gz CGBZOTQFLFKSOG-CYBMUJFWSA-N 1 2 249.310 1.433 20 0 BDADLO c1ccc([C@H]2COCC[N@@H+]2CC2OCCO2)cc1 ZINC000777593296 585716614 /nfs/dbraw/zinc/71/66/14/585716614.db2.gz CGBZOTQFLFKSOG-CYBMUJFWSA-N 1 2 249.310 1.433 20 0 BDADLO CC(C)(C)OCC(=O)OCCn1cc[nH+]c1 ZINC000778152410 585726458 /nfs/dbraw/zinc/72/64/58/585726458.db2.gz GCCJKFMTDBRGSV-UHFFFAOYSA-N 1 2 226.276 1.241 20 0 BDADLO C[C@@H]1CC[N@H+](CC2OCCO2)C[C@H]1F ZINC000778232714 585728980 /nfs/dbraw/zinc/72/89/80/585728980.db2.gz GRUKGBTZRKZAQD-RKDXNWHRSA-N 1 2 203.257 1.039 20 0 BDADLO C[C@@H]1CC[N@@H+](CC2OCCO2)C[C@H]1F ZINC000778232714 585728981 /nfs/dbraw/zinc/72/89/81/585728981.db2.gz GRUKGBTZRKZAQD-RKDXNWHRSA-N 1 2 203.257 1.039 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H](F)Cc1ccccc1 ZINC000778269287 585730042 /nfs/dbraw/zinc/73/00/42/585730042.db2.gz KYTQNMZVYMOOOP-NSHDSACASA-N 1 2 247.273 1.607 20 0 BDADLO Cc1ccc(COC(=O)c2cn[nH]n2)c(C)[nH+]1 ZINC000805605179 585731590 /nfs/dbraw/zinc/73/15/90/585731590.db2.gz VVEPEAUOQODVFS-UHFFFAOYSA-N 1 2 232.243 1.174 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000778395004 585733314 /nfs/dbraw/zinc/73/33/14/585733314.db2.gz CCKYPUOQRXVRLL-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000778395004 585733315 /nfs/dbraw/zinc/73/33/15/585733315.db2.gz CCKYPUOQRXVRLL-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CC1(C)SC(=O)N(C[N@H+]2CC=CCC2)C1=O ZINC000778576124 585737355 /nfs/dbraw/zinc/73/73/55/585737355.db2.gz GFQCMCSFXIMXBB-UHFFFAOYSA-N 1 2 240.328 1.680 20 0 BDADLO CC1(C)SC(=O)N(C[N@@H+]2CC=CCC2)C1=O ZINC000778576124 585737356 /nfs/dbraw/zinc/73/73/56/585737356.db2.gz GFQCMCSFXIMXBB-UHFFFAOYSA-N 1 2 240.328 1.680 20 0 BDADLO CCCC(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805612789 585739081 /nfs/dbraw/zinc/73/90/81/585739081.db2.gz AKIHMPJLUDDUQT-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CC(=O)[C@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805614776 585741036 /nfs/dbraw/zinc/74/10/36/585741036.db2.gz SUKLDVHPHBDPPI-JTQLQIEISA-N 1 2 227.304 1.382 20 0 BDADLO O=C(C[N@H+]1CC=CCC1)OCc1ccccc1 ZINC000778965968 585743033 /nfs/dbraw/zinc/74/30/33/585743033.db2.gz GXNUFXAECOTJBH-UHFFFAOYSA-N 1 2 231.295 1.992 20 0 BDADLO O=C(C[N@@H+]1CC=CCC1)OCc1ccccc1 ZINC000778965968 585743034 /nfs/dbraw/zinc/74/30/34/585743034.db2.gz GXNUFXAECOTJBH-UHFFFAOYSA-N 1 2 231.295 1.992 20 0 BDADLO O=C(c1ccncn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000779051838 585744751 /nfs/dbraw/zinc/74/47/51/585744751.db2.gz WRUPCSZKAOBTFL-JTQLQIEISA-N 1 2 243.270 1.177 20 0 BDADLO Fc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000779158654 585746470 /nfs/dbraw/zinc/74/64/70/585746470.db2.gz VJBBQEOIOSXZLR-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO Fc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000779158654 585746471 /nfs/dbraw/zinc/74/64/71/585746471.db2.gz VJBBQEOIOSXZLR-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO COC1CC(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000859272081 589025059 /nfs/dbraw/zinc/02/50/59/589025059.db2.gz MSYRYBSAAUNPNS-KYHHOPLUSA-N 1 2 235.274 1.113 20 0 BDADLO COC1CC(C[N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000859272081 589025061 /nfs/dbraw/zinc/02/50/61/589025061.db2.gz MSYRYBSAAUNPNS-KYHHOPLUSA-N 1 2 235.274 1.113 20 0 BDADLO CC(C)c1cnc(CO[NH+]=C(N)CCO)o1 ZINC000780127519 585772766 /nfs/dbraw/zinc/77/27/66/585772766.db2.gz DNFUSSVXRVKQMK-UHFFFAOYSA-N 1 2 227.264 1.179 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CCc2ccccc21 ZINC000780294850 585777089 /nfs/dbraw/zinc/77/70/89/585777089.db2.gz VWULVJPUXNJNLV-LBPRGKRZSA-N 1 2 242.326 1.967 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CCc2ccccc21 ZINC000780294850 585777090 /nfs/dbraw/zinc/77/70/90/585777090.db2.gz VWULVJPUXNJNLV-LBPRGKRZSA-N 1 2 242.326 1.967 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ncc(C)cc1C ZINC000780599220 585782263 /nfs/dbraw/zinc/78/22/63/585782263.db2.gz AXOWLVDKHBNPRF-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCc1c[nH+]c[nH]1 ZINC000780946477 585786976 /nfs/dbraw/zinc/78/69/76/585786976.db2.gz AZNWILKMVVFGPI-HJWRWDBZSA-N 1 2 207.277 1.772 20 0 BDADLO CCC(C)=C(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000780946477 585786977 /nfs/dbraw/zinc/78/69/77/585786977.db2.gz AZNWILKMVVFGPI-HJWRWDBZSA-N 1 2 207.277 1.772 20 0 BDADLO Cn1nccc1CO[NH+]=C(N)c1ccccc1 ZINC000781151908 585791347 /nfs/dbraw/zinc/79/13/47/585791347.db2.gz JGHZZJBYVRJAFS-UHFFFAOYSA-N 1 2 230.271 1.467 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC=CO2)c[nH+]1 ZINC000781498179 585797727 /nfs/dbraw/zinc/79/77/27/585797727.db2.gz SFCHDVPMYHPUQJ-SECBINFHSA-N 1 2 221.260 1.141 20 0 BDADLO CC[C@](C)(CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000782025623 585807120 /nfs/dbraw/zinc/80/71/20/585807120.db2.gz KMIPUTSHVMLORH-CYBMUJFWSA-N 1 2 247.298 1.225 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000782338724 585815760 /nfs/dbraw/zinc/81/57/60/585815760.db2.gz YJFYQGCDRKUSHX-UWVGGRQHSA-N 1 2 232.324 1.581 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H]3C[C@]3(CO)C2)[nH+]1 ZINC000782400727 585817378 /nfs/dbraw/zinc/81/73/78/585817378.db2.gz ACCSBHUFXOIJFF-TVQRCGJNSA-N 1 2 244.298 1.085 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000782563679 585820211 /nfs/dbraw/zinc/82/02/11/585820211.db2.gz ZCLITQFHROEYBF-QWHCGFSZSA-N 1 2 248.326 1.590 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000782578437 585820284 /nfs/dbraw/zinc/82/02/84/585820284.db2.gz BOZQEPBIIUNXTJ-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(F)cc1 ZINC000782578437 585820285 /nfs/dbraw/zinc/82/02/85/585820285.db2.gz BOZQEPBIIUNXTJ-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782591471 585821499 /nfs/dbraw/zinc/82/14/99/585821499.db2.gz MAZQISPNRITIQZ-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CCOCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782591471 585821500 /nfs/dbraw/zinc/82/15/00/585821500.db2.gz MAZQISPNRITIQZ-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782637033 585823885 /nfs/dbraw/zinc/82/38/85/585823885.db2.gz ZJHBUMWIADANKI-JQEORGNBSA-N 1 2 249.314 1.322 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782637033 585823886 /nfs/dbraw/zinc/82/38/86/585823886.db2.gz ZJHBUMWIADANKI-JQEORGNBSA-N 1 2 249.314 1.322 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCC=CO1)CC2 ZINC000782819026 585824592 /nfs/dbraw/zinc/82/45/92/585824592.db2.gz LOXKLFMDWSSDSX-NSHDSACASA-N 1 2 247.298 1.226 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCO[C@H](C)C1 ZINC000783040741 585827385 /nfs/dbraw/zinc/82/73/85/585827385.db2.gz UTKFZPGUTZKQRS-OPRDCNLKSA-N 1 2 230.308 1.335 20 0 BDADLO O=C(OC1CC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000783183749 585829243 /nfs/dbraw/zinc/82/92/43/585829243.db2.gz VXAOZRGAPXRPIZ-UHFFFAOYSA-N 1 2 229.239 1.587 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)[C@@H](C)[C@@H](C)O1 ZINC000783540902 585836303 /nfs/dbraw/zinc/83/63/03/585836303.db2.gz PYAKRUVBAJUKNA-OUAUKWLOSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)[C@@H](C)[C@@H](C)O1 ZINC000783540902 585836304 /nfs/dbraw/zinc/83/63/04/585836304.db2.gz PYAKRUVBAJUKNA-OUAUKWLOSA-N 1 2 226.320 1.064 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cncc(O)c1 ZINC000783623472 585838633 /nfs/dbraw/zinc/83/86/33/585838633.db2.gz FKINDMKBFKPXOO-UHFFFAOYSA-N 1 2 247.254 1.231 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)o1 ZINC000783730192 585841028 /nfs/dbraw/zinc/84/10/28/585841028.db2.gz RVTOZYIENMGVKH-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)o1 ZINC000783730192 585841029 /nfs/dbraw/zinc/84/10/29/585841029.db2.gz RVTOZYIENMGVKH-VIFPVBQESA-N 1 2 222.288 1.251 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)o1 ZINC000783732227 585841040 /nfs/dbraw/zinc/84/10/40/585841040.db2.gz COWFZZGFPZRNIP-JTQLQIEISA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)o1 ZINC000783732227 585841041 /nfs/dbraw/zinc/84/10/41/585841041.db2.gz COWFZZGFPZRNIP-JTQLQIEISA-N 1 2 236.315 1.505 20 0 BDADLO CC(C)C(C)(C)C(=O)NC1=[NH+]CCS1 ZINC000784040554 585847785 /nfs/dbraw/zinc/84/77/85/585847785.db2.gz XGZMLTWAFHBAKH-UHFFFAOYSA-N 1 2 214.334 1.888 20 0 BDADLO Cn1ccc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000784167970 585852420 /nfs/dbraw/zinc/85/24/20/585852420.db2.gz RKNXQOJUHKEDJJ-UHFFFAOYSA-N 1 2 233.271 1.469 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000784346519 585856349 /nfs/dbraw/zinc/85/63/49/585856349.db2.gz IPBXFUFHELDOQG-VHSXEESVSA-N 1 2 227.283 1.382 20 0 BDADLO FCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784399537 585858961 /nfs/dbraw/zinc/85/89/61/585858961.db2.gz DERPSZHOAXHRIA-UHFFFAOYSA-N 1 2 241.285 1.702 20 0 BDADLO FCC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784399537 585858962 /nfs/dbraw/zinc/85/89/62/585858962.db2.gz DERPSZHOAXHRIA-UHFFFAOYSA-N 1 2 241.285 1.702 20 0 BDADLO CC(C)[C@H](F)C(=O)NCCCCn1cc[nH+]c1 ZINC000784411589 585859074 /nfs/dbraw/zinc/85/90/74/585859074.db2.gz XIVUWNWZSBLPJH-NSHDSACASA-N 1 2 241.310 1.774 20 0 BDADLO CC(C)[C@H](F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000784414619 585859128 /nfs/dbraw/zinc/85/91/28/585859128.db2.gz RKCFYCOMFLFGFM-MNOVXSKESA-N 1 2 241.310 1.630 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](F)C(C)C ZINC000784425164 585859370 /nfs/dbraw/zinc/85/93/70/585859370.db2.gz RNTXOXPGQDVOGZ-SECBINFHSA-N 1 2 213.256 1.328 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000784446984 585860108 /nfs/dbraw/zinc/86/01/08/585860108.db2.gz VDGFTDOPRJUXOS-KWQFWETISA-N 1 2 239.294 1.377 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000784446984 585860109 /nfs/dbraw/zinc/86/01/09/585860109.db2.gz VDGFTDOPRJUXOS-KWQFWETISA-N 1 2 239.294 1.377 20 0 BDADLO CS/C=C\C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784913968 585868429 /nfs/dbraw/zinc/86/84/29/585868429.db2.gz JYEPQUGIKNTELV-GJQXAKHRSA-N 1 2 245.344 1.127 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC1(C)C ZINC000784917356 585868463 /nfs/dbraw/zinc/86/84/63/585868463.db2.gz DBDPHTUGEHZCPS-QWRGUYRKSA-N 1 2 241.331 1.296 20 0 BDADLO CCC1(C(=O)O[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000784920068 585868474 /nfs/dbraw/zinc/86/84/74/585868474.db2.gz YODYODJAYAKRFC-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO C/C=C(/C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784915644 585868555 /nfs/dbraw/zinc/86/85/55/585868555.db2.gz VROSWGICCVZURX-FGUAACIASA-N 1 2 227.304 1.217 20 0 BDADLO Cc1ccc(COC(=O)c2ccn(C)n2)c(C)[nH+]1 ZINC000785689333 585878490 /nfs/dbraw/zinc/87/84/90/585878490.db2.gz TUHIDBDFEIPRSZ-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785745207 585878944 /nfs/dbraw/zinc/87/89/44/585878944.db2.gz ZIOKQMBFKOUNIM-OUAUKWLOSA-N 1 2 241.331 1.770 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785745207 585878945 /nfs/dbraw/zinc/87/89/45/585878945.db2.gz ZIOKQMBFKOUNIM-OUAUKWLOSA-N 1 2 241.331 1.770 20 0 BDADLO CC(C)C(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785728460 585879181 /nfs/dbraw/zinc/87/91/81/585879181.db2.gz HRCUEVRDCLZWDO-PHIMTYICSA-N 1 2 241.331 1.628 20 0 BDADLO CC(C)C(=O)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785728460 585879182 /nfs/dbraw/zinc/87/91/82/585879182.db2.gz HRCUEVRDCLZWDO-PHIMTYICSA-N 1 2 241.331 1.628 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1coc(C2CC2)n1 ZINC000786169744 585888133 /nfs/dbraw/zinc/88/81/33/585888133.db2.gz OCIBSYNUSHSXRL-UHFFFAOYSA-N 1 2 247.254 1.606 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCCOCC1 ZINC000786440434 585891650 /nfs/dbraw/zinc/89/16/50/585891650.db2.gz WDDCMSQTBOTNJS-JTQLQIEISA-N 1 2 238.287 1.280 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)no1 ZINC000786749495 585897115 /nfs/dbraw/zinc/89/71/15/585897115.db2.gz HMYPWPBUYYSMOF-SNVBAGLBSA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)no1 ZINC000786749495 585897116 /nfs/dbraw/zinc/89/71/16/585897116.db2.gz HMYPWPBUYYSMOF-SNVBAGLBSA-N 1 2 235.287 1.548 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)on1 ZINC000787596772 585912534 /nfs/dbraw/zinc/91/25/34/585912534.db2.gz BDOBVIYZHBVGSZ-UHFFFAOYSA-N 1 2 233.227 1.317 20 0 BDADLO Cc1occc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787597384 585912626 /nfs/dbraw/zinc/91/26/26/585912626.db2.gz HGXAHKDOQPCRGB-UHFFFAOYSA-N 1 2 232.239 1.922 20 0 BDADLO CC1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000788194861 585919085 /nfs/dbraw/zinc/91/90/85/585919085.db2.gz FNKYMRLBEAKBFI-UHFFFAOYSA-N 1 2 242.282 1.359 20 0 BDADLO CC(C)(C)OCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789612801 585946574 /nfs/dbraw/zinc/94/65/74/585946574.db2.gz VMOUAPXUKBAVOI-SECBINFHSA-N 1 2 230.308 1.479 20 0 BDADLO NC(=[NH+]OCC1CCCC1)[C@H]1CCCO1 ZINC000789610846 585946673 /nfs/dbraw/zinc/94/66/73/585946673.db2.gz LULVXCQGRPLHPM-SNVBAGLBSA-N 1 2 212.293 1.854 20 0 BDADLO C/C=C(\CC)C(=O)NCCc1c[nH+]cn1C ZINC000789849958 585951744 /nfs/dbraw/zinc/95/17/44/585951744.db2.gz JOLVEZPVYSSZCE-ONNFQVAWSA-N 1 2 221.304 1.435 20 0 BDADLO O=C(NCC[NH+]1CCC1)c1nc(Cl)cs1 ZINC000789999257 585955651 /nfs/dbraw/zinc/95/56/51/585955651.db2.gz NPSFUOKAOQYAPG-UHFFFAOYSA-N 1 2 245.735 1.232 20 0 BDADLO C[Si](C)(C)C[N@H+]1CC(=O)N(C2CC2)C1 ZINC000790465498 585965243 /nfs/dbraw/zinc/96/52/43/585965243.db2.gz VEZVSTUTHYKFHJ-UHFFFAOYSA-N 1 2 212.369 1.128 20 0 BDADLO C[Si](C)(C)C[N@@H+]1CC(=O)N(C2CC2)C1 ZINC000790465498 585965244 /nfs/dbraw/zinc/96/52/44/585965244.db2.gz VEZVSTUTHYKFHJ-UHFFFAOYSA-N 1 2 212.369 1.128 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000791009491 585972258 /nfs/dbraw/zinc/97/22/58/585972258.db2.gz RCTFQAHHPZDPRQ-VIFPVBQESA-N 1 2 247.302 1.760 20 0 BDADLO COC/C=C/C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000791338809 585977970 /nfs/dbraw/zinc/97/79/70/585977970.db2.gz AYCKVVKVVXFXIA-MALLOTDXSA-N 1 2 249.314 1.666 20 0 BDADLO COC/C=C/C(=O)Nc1c[nH+]ccc1OC ZINC000791345010 585978296 /nfs/dbraw/zinc/97/82/96/585978296.db2.gz PJSHGNVVXVYCMA-ONEGZZNKSA-N 1 2 222.244 1.231 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1[C@@H]1CCOC1=O ZINC000791579524 585984896 /nfs/dbraw/zinc/98/48/96/585984896.db2.gz QVQCAITVHUNQDJ-BWZBUEFSSA-N 1 2 237.221 1.575 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1[C@@H]1CCOC1=O ZINC000791579524 585984897 /nfs/dbraw/zinc/98/48/97/585984897.db2.gz QVQCAITVHUNQDJ-BWZBUEFSSA-N 1 2 237.221 1.575 20 0 BDADLO Nc1cc(COC(=O)C[C@@H]2CCOC2)cc[nH+]1 ZINC000791930629 585991851 /nfs/dbraw/zinc/99/18/51/585991851.db2.gz MKRHTZFVYIDBFY-JTQLQIEISA-N 1 2 236.271 1.134 20 0 BDADLO Nc1cc(COC(=O)c2ccc(CO)o2)cc[nH+]1 ZINC000791964750 585992501 /nfs/dbraw/zinc/99/25/01/585992501.db2.gz PDFBASZFBUGMLN-UHFFFAOYSA-N 1 2 248.238 1.106 20 0 BDADLO CC[C@H](C)OCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792048914 585994888 /nfs/dbraw/zinc/99/48/88/585994888.db2.gz GORIYXWDDANDAN-VIFPVBQESA-N 1 2 238.287 1.522 20 0 BDADLO Nc1cc(COC(=O)[C@H]2C[C@]23CCOC3)cc[nH+]1 ZINC000792130329 585996179 /nfs/dbraw/zinc/99/61/79/585996179.db2.gz RWEHCKRNGWQVHB-MFKMUULPSA-N 1 2 248.282 1.134 20 0 BDADLO Nc1cc(COC(=O)Cc2ccoc2)cc[nH+]1 ZINC000792149349 585996606 /nfs/dbraw/zinc/99/66/06/585996606.db2.gz GGWPZFNKSNKOCI-UHFFFAOYSA-N 1 2 232.239 1.543 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1ccc(F)nc1 ZINC000792186149 585997201 /nfs/dbraw/zinc/99/72/01/585997201.db2.gz HJUZCQKSMZDPLR-SECBINFHSA-N 1 2 247.277 1.389 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1ccc(F)nc1 ZINC000792186149 585997202 /nfs/dbraw/zinc/99/72/02/585997202.db2.gz HJUZCQKSMZDPLR-SECBINFHSA-N 1 2 247.277 1.389 20 0 BDADLO Cc1ccnc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000792272693 585998675 /nfs/dbraw/zinc/99/86/75/585998675.db2.gz WYLLMDKUEFGHMV-UHFFFAOYSA-N 1 2 244.254 1.119 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)/C=C/C1CC1 ZINC000793237084 586014754 /nfs/dbraw/zinc/01/47/54/586014754.db2.gz DXGDEASCOUUOBH-SNAWJCMRSA-N 1 2 220.272 1.472 20 0 BDADLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cn1 ZINC000793251078 586015027 /nfs/dbraw/zinc/01/50/27/586015027.db2.gz SWHUFNZKTDHYRY-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO CC[C@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000793252211 586015087 /nfs/dbraw/zinc/01/50/87/586015087.db2.gz YPZUSWCPSSLCEA-JTQLQIEISA-N 1 2 224.304 1.942 20 0 BDADLO CC[C@](C)(OC)C(=O)OCCc1c[nH+]cn1C ZINC000793251849 586015106 /nfs/dbraw/zinc/01/51/06/586015106.db2.gz URPZVPUYUORQIC-LBPRGKRZSA-N 1 2 240.303 1.321 20 0 BDADLO NC(Cc1cccc(F)c1)=[NH+]O[C@H]1CCOC1 ZINC000794519131 586041322 /nfs/dbraw/zinc/04/13/22/586041322.db2.gz AZEABXYUSWJMTK-NSHDSACASA-N 1 2 238.262 1.656 20 0 BDADLO Cc1ccccc1C(N)=[NH+]O[C@H]1CCOC1 ZINC000794518486 586041381 /nfs/dbraw/zinc/04/13/81/586041381.db2.gz LEHQINWPTSWBNA-JTQLQIEISA-N 1 2 220.272 1.630 20 0 BDADLO NC(Cc1ccccc1)=[NH+]O[C@H]1CCOC1 ZINC000794521327 586041584 /nfs/dbraw/zinc/04/15/84/586041584.db2.gz TYOWMRHAKOYBNB-NSHDSACASA-N 1 2 220.272 1.516 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000794577984 586044986 /nfs/dbraw/zinc/04/49/86/586044986.db2.gz VNPSPRDTIZSEEL-NWDGAFQWSA-N 1 2 243.347 1.326 20 0 BDADLO O=C1CCCN1C[NH+]1CCC(F)(F)CC1 ZINC000794688781 586047120 /nfs/dbraw/zinc/04/71/20/586047120.db2.gz QTTVWTRRIUPTKH-UHFFFAOYSA-N 1 2 218.247 1.297 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCCF ZINC000795211165 586072211 /nfs/dbraw/zinc/07/22/11/586072211.db2.gz XCJJFRPGJMONRK-UHFFFAOYSA-N 1 2 233.287 1.149 20 0 BDADLO CCC[N@H+](C)Cn1ncn(-c2ccccc2)c1=O ZINC000795414642 586077789 /nfs/dbraw/zinc/07/77/89/586077789.db2.gz NNXBCXDAUILINQ-UHFFFAOYSA-N 1 2 246.314 1.333 20 0 BDADLO CCC[N@@H+](C)Cn1ncn(-c2ccccc2)c1=O ZINC000795414642 586077791 /nfs/dbraw/zinc/07/77/91/586077791.db2.gz NNXBCXDAUILINQ-UHFFFAOYSA-N 1 2 246.314 1.333 20 0 BDADLO CCO[C@H](C[NH2+][C@@]1(C)CCOC1=O)C1CC1 ZINC000859309067 589029600 /nfs/dbraw/zinc/02/96/00/589029600.db2.gz CAAQLGWFOVINJJ-PWSUYJOCSA-N 1 2 227.304 1.097 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000859308081 589029900 /nfs/dbraw/zinc/02/99/00/589029900.db2.gz OCBNHQRLEYJQAN-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccc(C[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000859308081 589029901 /nfs/dbraw/zinc/02/99/01/589029901.db2.gz OCBNHQRLEYJQAN-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[N@H+](Cc1ccccn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661366 586090292 /nfs/dbraw/zinc/09/02/92/586090292.db2.gz PVJXCFGDELGFOA-LLVKDONJSA-N 1 2 234.299 1.608 20 0 BDADLO C[N@@H+](Cc1ccccn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661366 586090293 /nfs/dbraw/zinc/09/02/93/586090293.db2.gz PVJXCFGDELGFOA-LLVKDONJSA-N 1 2 234.299 1.608 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)n1 ZINC000795660634 586090441 /nfs/dbraw/zinc/09/04/41/586090441.db2.gz HEMQGRKDJMQQPB-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)n1 ZINC000795660634 586090442 /nfs/dbraw/zinc/09/04/42/586090442.db2.gz HEMQGRKDJMQQPB-GFCCVEGCSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)n1 ZINC000795660635 586090578 /nfs/dbraw/zinc/09/05/78/586090578.db2.gz HEMQGRKDJMQQPB-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)n1 ZINC000795660635 586090579 /nfs/dbraw/zinc/09/05/79/586090579.db2.gz HEMQGRKDJMQQPB-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO CC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000796307695 586100121 /nfs/dbraw/zinc/10/01/21/586100121.db2.gz CJNZZVKZBKWBAL-APPZFPTMSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000796307695 586100122 /nfs/dbraw/zinc/10/01/22/586100122.db2.gz CJNZZVKZBKWBAL-APPZFPTMSA-N 1 2 239.237 1.617 20 0 BDADLO OC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(F)cc1 ZINC000796447715 586103468 /nfs/dbraw/zinc/10/34/68/586103468.db2.gz BMROSMHDKCIPNG-GFCCVEGCSA-N 1 2 235.262 1.372 20 0 BDADLO CCn1nccc1C[N@@H+](C/C=C\Cl)CCO ZINC000796468723 586104369 /nfs/dbraw/zinc/10/43/69/586104369.db2.gz NQJAMZNGEDFYQS-HYXAFXHYSA-N 1 2 243.738 1.450 20 0 BDADLO CCn1nccc1C[N@H+](C/C=C\Cl)CCO ZINC000796468723 586104370 /nfs/dbraw/zinc/10/43/70/586104370.db2.gz NQJAMZNGEDFYQS-HYXAFXHYSA-N 1 2 243.738 1.450 20 0 BDADLO CC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000796670731 586109727 /nfs/dbraw/zinc/10/97/27/586109727.db2.gz UCFCXCPYNMEHTH-LLVKDONJSA-N 1 2 237.303 1.884 20 0 BDADLO CC(=O)CC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000796670731 586109728 /nfs/dbraw/zinc/10/97/28/586109728.db2.gz UCFCXCPYNMEHTH-LLVKDONJSA-N 1 2 237.303 1.884 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000796690879 586110223 /nfs/dbraw/zinc/11/02/23/586110223.db2.gz BZPDBCAGZGHDBF-NSHDSACASA-N 1 2 237.303 1.884 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000796690879 586110224 /nfs/dbraw/zinc/11/02/24/586110224.db2.gz BZPDBCAGZGHDBF-NSHDSACASA-N 1 2 237.303 1.884 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ncc[nH]1 ZINC000796815230 586113570 /nfs/dbraw/zinc/11/35/70/586113570.db2.gz WTOFPLSWSUFKEM-VIFPVBQESA-N 1 2 236.319 1.119 20 0 BDADLO CN(C)C(=O)C[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000797747308 586130646 /nfs/dbraw/zinc/13/06/46/586130646.db2.gz TZEFDCQNBXOIRZ-ZETCQYMHSA-N 1 2 239.146 1.200 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000797747308 586130647 /nfs/dbraw/zinc/13/06/47/586130647.db2.gz TZEFDCQNBXOIRZ-ZETCQYMHSA-N 1 2 239.146 1.200 20 0 BDADLO CC1=CCC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000797823121 586132535 /nfs/dbraw/zinc/13/25/35/586132535.db2.gz LOBONSKJZRXCNU-UHFFFAOYSA-N 1 2 224.333 1.561 20 0 BDADLO CC1=CCC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000797823121 586132536 /nfs/dbraw/zinc/13/25/36/586132536.db2.gz LOBONSKJZRXCNU-UHFFFAOYSA-N 1 2 224.333 1.561 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000797859294 586133402 /nfs/dbraw/zinc/13/34/02/586133402.db2.gz YJZMZOLPQQSNSQ-UHFFFAOYSA-N 1 2 219.244 1.458 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859316603 589031369 /nfs/dbraw/zinc/03/13/69/589031369.db2.gz YGIVIOGLDFNXRA-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859316603 589031371 /nfs/dbraw/zinc/03/13/71/589031371.db2.gz YGIVIOGLDFNXRA-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)c1ccc(F)cn1 ZINC000799312320 586171256 /nfs/dbraw/zinc/17/12/56/586171256.db2.gz SDVDYVZFLRAVAK-LBPRGKRZSA-N 1 2 240.253 1.813 20 0 BDADLO O[C@@H](C[N@H+]1CCC=C(F)C1)c1ccc(F)cn1 ZINC000799312320 586171258 /nfs/dbraw/zinc/17/12/58/586171258.db2.gz SDVDYVZFLRAVAK-LBPRGKRZSA-N 1 2 240.253 1.813 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnn(C)n2)C[C@@H](C)C1(F)F ZINC000859416139 589035766 /nfs/dbraw/zinc/03/57/66/589035766.db2.gz ZDIUXQIMBUZBBZ-RKDXNWHRSA-N 1 2 244.289 1.538 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H](C)C1(F)F ZINC000859416137 589035957 /nfs/dbraw/zinc/03/59/57/589035957.db2.gz ZDIUXQIMBUZBBZ-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H](C)C1(F)F ZINC000859416137 589035958 /nfs/dbraw/zinc/03/59/58/589035958.db2.gz ZDIUXQIMBUZBBZ-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO Cn1c[nH+]c(/C=C2/C(=O)Nc3ccccc32)c1 ZINC000800791996 586228412 /nfs/dbraw/zinc/22/84/12/586228412.db2.gz IIKYBOLIQWEBPK-IZZDOVSWSA-N 1 2 225.251 1.913 20 0 BDADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnon1 ZINC000859430790 589036605 /nfs/dbraw/zinc/03/66/05/589036605.db2.gz WFGJHWPLWNAWOE-DTORHVGOSA-N 1 2 229.230 1.832 20 0 BDADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnon1 ZINC000859430790 589036607 /nfs/dbraw/zinc/03/66/07/589036607.db2.gz WFGJHWPLWNAWOE-DTORHVGOSA-N 1 2 229.230 1.832 20 0 BDADLO Cc1nc(C(=O)Nc2cccc3[nH+]ccn32)co1 ZINC000801624415 586266533 /nfs/dbraw/zinc/26/65/33/586266533.db2.gz NFIYGNSYKRQYJU-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000802010595 586284777 /nfs/dbraw/zinc/28/47/77/586284777.db2.gz FOBHGWMAZIZXLC-LLVKDONJSA-N 1 2 244.697 1.641 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000802010595 586284778 /nfs/dbraw/zinc/28/47/78/586284778.db2.gz FOBHGWMAZIZXLC-LLVKDONJSA-N 1 2 244.697 1.641 20 0 BDADLO O=C(/C=C/c1cccnc1)OCCn1cc[nH+]c1 ZINC000802228675 586296544 /nfs/dbraw/zinc/29/65/44/586296544.db2.gz QFKWYRPDWHUUQB-ONEGZZNKSA-N 1 2 243.266 1.535 20 0 BDADLO CSCCCC(=O)OCCn1cc[nH+]c1 ZINC000802228341 586296784 /nfs/dbraw/zinc/29/67/84/586296784.db2.gz OPYNYVOCCATBSX-UHFFFAOYSA-N 1 2 228.317 1.570 20 0 BDADLO CC(C)[C@@H](F)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802231808 586298343 /nfs/dbraw/zinc/29/83/43/586298343.db2.gz AZSUQCIRBOUERT-VHSXEESVSA-N 1 2 235.274 1.568 20 0 BDADLO CC(C)[C@@H](F)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802231808 586298344 /nfs/dbraw/zinc/29/83/44/586298344.db2.gz AZSUQCIRBOUERT-VHSXEESVSA-N 1 2 235.274 1.568 20 0 BDADLO Cn1cccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802243126 586298720 /nfs/dbraw/zinc/29/87/20/586298720.db2.gz YLHUPKDNHBPOPH-SNVBAGLBSA-N 1 2 240.278 1.226 20 0 BDADLO Cn1cccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802243126 586298721 /nfs/dbraw/zinc/29/87/21/586298721.db2.gz YLHUPKDNHBPOPH-SNVBAGLBSA-N 1 2 240.278 1.226 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241325 586298764 /nfs/dbraw/zinc/29/87/64/586298764.db2.gz ZPIODCDZHOIMPD-WOPDTQHZSA-N 1 2 243.322 1.866 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241325 586298765 /nfs/dbraw/zinc/29/87/65/586298765.db2.gz ZPIODCDZHOIMPD-WOPDTQHZSA-N 1 2 243.322 1.866 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000802747226 586312264 /nfs/dbraw/zinc/31/22/64/586312264.db2.gz PLWMPFMZKVQAMX-IUCAKERBSA-N 1 2 248.273 1.126 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000802747226 586312266 /nfs/dbraw/zinc/31/22/66/586312266.db2.gz PLWMPFMZKVQAMX-IUCAKERBSA-N 1 2 248.273 1.126 20 0 BDADLO C/C=C(\C)C(=O)OC1C[NH+](CCOCC)C1 ZINC000802772845 586313490 /nfs/dbraw/zinc/31/34/90/586313490.db2.gz WNUIKEBULDOCEQ-ONNFQVAWSA-N 1 2 227.304 1.217 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)/C=C/C2CC2)C1 ZINC000802774945 586313671 /nfs/dbraw/zinc/31/36/71/586313671.db2.gz ACOUTUONPNMBER-AATRIKPKSA-N 1 2 239.315 1.217 20 0 BDADLO COC(C)(C)C(=O)OCCCc1[nH+]ccn1C ZINC000802788571 586313952 /nfs/dbraw/zinc/31/39/52/586313952.db2.gz JDZPBQDSAZKCLB-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)CCC(F)F ZINC000802788132 586314232 /nfs/dbraw/zinc/31/42/32/586314232.db2.gz QWHYGYPKVGSYDT-UHFFFAOYSA-N 1 2 246.257 1.941 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)COC(F)F ZINC000802786687 586314282 /nfs/dbraw/zinc/31/42/82/586314282.db2.gz OEBNRSNFHSBHOE-UHFFFAOYSA-N 1 2 248.229 1.135 20 0 BDADLO C[C@H](C(=O)OCCCc1[nH+]ccn1C)C1CC1 ZINC000802783648 586314412 /nfs/dbraw/zinc/31/44/12/586314412.db2.gz APMNOHNZLSJFHT-JTQLQIEISA-N 1 2 236.315 1.942 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)CC2(C)CC2)C1 ZINC000802775989 586314532 /nfs/dbraw/zinc/31/45/32/586314532.db2.gz MYALQVQOSBECHZ-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000802815084 586316068 /nfs/dbraw/zinc/31/60/68/586316068.db2.gz KFZLERHFOJWXSA-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO C[C@H]1CCN(C[N@H+](C)Cc2cccn2C)C1=O ZINC000840028817 586384590 /nfs/dbraw/zinc/38/45/90/586384590.db2.gz YXDVLGHIXVYISL-NSHDSACASA-N 1 2 235.331 1.283 20 0 BDADLO C[C@H]1CCN(C[N@@H+](C)Cc2cccn2C)C1=O ZINC000840028817 586384593 /nfs/dbraw/zinc/38/45/93/586384593.db2.gz YXDVLGHIXVYISL-NSHDSACASA-N 1 2 235.331 1.283 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC=CO1 ZINC000804333958 586391225 /nfs/dbraw/zinc/39/12/25/586391225.db2.gz UGSBFPNWNWCQOP-JQWIXIFHSA-N 1 2 247.298 1.007 20 0 BDADLO C/C=C/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335394 586391484 /nfs/dbraw/zinc/39/14/84/586391484.db2.gz YFQJIUVWXXWZCY-SWVIMVIYSA-N 1 2 231.299 1.446 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1=CCCCO1 ZINC000804334484 586391624 /nfs/dbraw/zinc/39/16/24/586391624.db2.gz HPWCLRABTMJOQU-SNVBAGLBSA-N 1 2 247.298 1.008 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804338030 586392185 /nfs/dbraw/zinc/39/21/85/586392185.db2.gz GRPFHDUKMPTOKJ-KOLCDFICSA-N 1 2 239.294 1.308 20 0 BDADLO CCn1ncc(C[NH+](C2CC2)C2CC2)n1 ZINC000859625912 589049981 /nfs/dbraw/zinc/04/99/81/589049981.db2.gz DUICHHMLNMOKNV-UHFFFAOYSA-N 1 2 206.293 1.425 20 0 BDADLO CCn1ccc(C[N@H+](C)CN2CC[C@@H](C)C2=O)c1 ZINC000840051825 586400363 /nfs/dbraw/zinc/40/03/63/586400363.db2.gz ATTAXMXMDOCZSG-GFCCVEGCSA-N 1 2 249.358 1.766 20 0 BDADLO CCn1ccc(C[N@@H+](C)CN2CC[C@@H](C)C2=O)c1 ZINC000840051825 586400365 /nfs/dbraw/zinc/40/03/65/586400365.db2.gz ATTAXMXMDOCZSG-GFCCVEGCSA-N 1 2 249.358 1.766 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cn1cc(C)cnc1=S ZINC000840082313 586422391 /nfs/dbraw/zinc/42/23/91/586422391.db2.gz AQAZLDPAKGBZKD-SNVBAGLBSA-N 1 2 239.344 1.599 20 0 BDADLO COC[C@H]1CC[N@H+]1Cn1cc(C)cnc1=S ZINC000840082313 586422392 /nfs/dbraw/zinc/42/23/92/586422392.db2.gz AQAZLDPAKGBZKD-SNVBAGLBSA-N 1 2 239.344 1.599 20 0 BDADLO CC[NH2+]Cc1noc(C2(C)CCOCC2)n1 ZINC000843145734 586445533 /nfs/dbraw/zinc/44/55/33/586445533.db2.gz VJRVIDVTWUJJCN-UHFFFAOYSA-N 1 2 225.292 1.247 20 0 BDADLO F[C@@H]1CC[N@H+](Cn2nccc2-c2ccncc2)C1 ZINC000840103500 586446937 /nfs/dbraw/zinc/44/69/37/586446937.db2.gz MKIFNZKADBHXPC-GFCCVEGCSA-N 1 2 246.289 1.946 20 0 BDADLO F[C@@H]1CC[N@@H+](Cn2nccc2-c2ccncc2)C1 ZINC000840103500 586446939 /nfs/dbraw/zinc/44/69/39/586446939.db2.gz MKIFNZKADBHXPC-GFCCVEGCSA-N 1 2 246.289 1.946 20 0 BDADLO CCC[N@H+](CCC(=O)C(C)C)CC(=O)OC ZINC000808710330 586483696 /nfs/dbraw/zinc/48/36/96/586483696.db2.gz HVZUVRLZBZLLNR-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CCC[N@@H+](CCC(=O)C(C)C)CC(=O)OC ZINC000808710330 586483698 /nfs/dbraw/zinc/48/36/98/586483698.db2.gz HVZUVRLZBZLLNR-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CCC[N@H+](CCC(=O)C(C)C)CC(=O)OCC ZINC000808712631 586483781 /nfs/dbraw/zinc/48/37/81/586483781.db2.gz GHMQJHVVDPACNG-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCC[N@@H+](CCC(=O)C(C)C)CC(=O)OCC ZINC000808712631 586483782 /nfs/dbraw/zinc/48/37/82/586483782.db2.gz GHMQJHVVDPACNG-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000808729335 586484849 /nfs/dbraw/zinc/48/48/49/586484849.db2.gz YHMIURANLNPKON-USBNGQNGSA-N 1 2 245.388 1.443 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000808729335 586484850 /nfs/dbraw/zinc/48/48/50/586484850.db2.gz YHMIURANLNPKON-USBNGQNGSA-N 1 2 245.388 1.443 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000808754187 586488380 /nfs/dbraw/zinc/48/83/80/586488380.db2.gz HKRPSENNQHNOHY-MEDUHNTESA-N 1 2 245.388 1.445 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000808754187 586488382 /nfs/dbraw/zinc/48/83/82/586488382.db2.gz HKRPSENNQHNOHY-MEDUHNTESA-N 1 2 245.388 1.445 20 0 BDADLO NC(=O)C[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000808773645 586489873 /nfs/dbraw/zinc/48/98/73/586489873.db2.gz OEGIMRDZDCSKRY-LURJTMIESA-N 1 2 242.216 1.084 20 0 BDADLO NC(=O)C[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000808773645 586489874 /nfs/dbraw/zinc/48/98/74/586489874.db2.gz OEGIMRDZDCSKRY-LURJTMIESA-N 1 2 242.216 1.084 20 0 BDADLO Cn1ncc(C[N@H+](C)CCOC(C)(C)C)n1 ZINC000809955015 586526534 /nfs/dbraw/zinc/52/65/34/586526534.db2.gz ORCAVLXFBBNROO-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO Cn1ncc(C[N@@H+](C)CCOC(C)(C)C)n1 ZINC000809955015 586526535 /nfs/dbraw/zinc/52/65/35/586526535.db2.gz ORCAVLXFBBNROO-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1cnn(C)n1)c1ccccn1 ZINC000809972223 586527586 /nfs/dbraw/zinc/52/75/86/586527586.db2.gz GEBLEGOOUTXNPU-ZDUSSCGKSA-N 1 2 245.330 1.697 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000809974510 586528260 /nfs/dbraw/zinc/52/82/60/586528260.db2.gz AOSUURADDPBNHE-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CCC1(F)F ZINC000810045211 586532720 /nfs/dbraw/zinc/53/27/20/586532720.db2.gz HPKFIVVQQKZMIH-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CCC1(F)F ZINC000810045211 586532722 /nfs/dbraw/zinc/53/27/22/586532722.db2.gz HPKFIVVQQKZMIH-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO Cc1noc(C)c1CC[NH2+][C@]1(C)CCOC1=O ZINC000810095504 586533704 /nfs/dbraw/zinc/53/37/04/586533704.db2.gz NSANJWIECOCQGG-GFCCVEGCSA-N 1 2 238.287 1.129 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOC/C=C\Cl ZINC000810199914 586536699 /nfs/dbraw/zinc/53/66/99/586536699.db2.gz FPEDYBCYROFPFR-RQOWECAXSA-N 1 2 241.678 1.618 20 0 BDADLO C[C@@H]1CN(C(=O)c2conc2C2CC2)CC[N@@H+]1C ZINC000810442624 586539235 /nfs/dbraw/zinc/53/92/35/586539235.db2.gz ZJVJOQGVPMZQSG-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1CN(C(=O)c2conc2C2CC2)CC[N@H+]1C ZINC000810442624 586539236 /nfs/dbraw/zinc/53/92/36/586539236.db2.gz ZJVJOQGVPMZQSG-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1ccco1 ZINC000810755164 586546259 /nfs/dbraw/zinc/54/62/59/586546259.db2.gz NDQDRGVHDJUOLX-SECBINFHSA-N 1 2 233.271 1.433 20 0 BDADLO CCc1cc(C)nc(NCc2c[nH+]cn2C)n1 ZINC000811845669 586567460 /nfs/dbraw/zinc/56/74/60/586567460.db2.gz FYVOZYFSOBMOQF-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO CCC1(C)C[NH+](CCS(=O)(=O)CC)C1 ZINC000812313076 586573221 /nfs/dbraw/zinc/57/32/21/586573221.db2.gz NRYFMXDGWYZGQY-UHFFFAOYSA-N 1 2 219.350 1.153 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)NC1=[NH+]CCS1 ZINC000812448325 586577466 /nfs/dbraw/zinc/57/74/66/586577466.db2.gz SVNWMYLTTGPODL-YUMQZZPRSA-N 1 2 230.333 1.124 20 0 BDADLO CC[N@@H+](Cc1nonc1C)C[C@H](C)OC ZINC000812909002 586588867 /nfs/dbraw/zinc/58/88/67/586588867.db2.gz BGNLSQGOAJKBON-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO CC[N@H+](Cc1nonc1C)C[C@H](C)OC ZINC000812909002 586588868 /nfs/dbraw/zinc/58/88/68/586588868.db2.gz BGNLSQGOAJKBON-QMMMGPOBSA-N 1 2 213.281 1.235 20 0 BDADLO C=Cn1cc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000813327501 586600366 /nfs/dbraw/zinc/60/03/66/586600366.db2.gz HUIZTNIQIGYVEB-UHFFFAOYSA-N 1 2 217.276 1.339 20 0 BDADLO C[N@H+](C[C@@H]1CCC=CO1)[C@@H]1CC(C)(C)OC1=O ZINC000814179589 586615938 /nfs/dbraw/zinc/61/59/38/586615938.db2.gz VLLYFRGALPYYNT-WDEREUQCSA-N 1 2 239.315 1.705 20 0 BDADLO C[N@@H+](C[C@@H]1CCC=CO1)[C@@H]1CC(C)(C)OC1=O ZINC000814179589 586615939 /nfs/dbraw/zinc/61/59/39/586615939.db2.gz VLLYFRGALPYYNT-WDEREUQCSA-N 1 2 239.315 1.705 20 0 BDADLO S=C(NCCCn1cc[nH+]c1)NC1CCC1 ZINC000814189667 586616329 /nfs/dbraw/zinc/61/63/29/586616329.db2.gz SFEIJLKMJPLOKI-UHFFFAOYSA-N 1 2 238.360 1.290 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OC1CCC1 ZINC000814265562 586621022 /nfs/dbraw/zinc/62/10/22/586621022.db2.gz NGEYKPIBZHMKBA-UHFFFAOYSA-N 1 2 200.282 1.852 20 0 BDADLO Cc1nc(C(=O)OCCCn2cc[nH+]c2)c(C)o1 ZINC000814505494 586623422 /nfs/dbraw/zinc/62/34/22/586623422.db2.gz QWIWBHRODJTERY-UHFFFAOYSA-N 1 2 249.270 1.735 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2CC[C@@H](C)C2)C1 ZINC000815215758 586674130 /nfs/dbraw/zinc/67/41/30/586674130.db2.gz VDMFEPLETXDNOS-UTUOFQBUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2CC[C@@H](C)C2)C1 ZINC000815215758 586674131 /nfs/dbraw/zinc/67/41/31/586674131.db2.gz VDMFEPLETXDNOS-UTUOFQBUSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CC[C@H](C)C2)C1 ZINC000815215752 586674255 /nfs/dbraw/zinc/67/42/55/586674255.db2.gz VDMFEPLETXDNOS-SRVKXCTJSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CC[C@H](C)C2)C1 ZINC000815215752 586674256 /nfs/dbraw/zinc/67/42/56/586674256.db2.gz VDMFEPLETXDNOS-SRVKXCTJSA-N 1 2 241.331 1.439 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1cc(F)c[nH]1 ZINC000815393418 586682436 /nfs/dbraw/zinc/68/24/36/586682436.db2.gz WOTFAZJXTODPRX-UHFFFAOYSA-N 1 2 237.234 1.597 20 0 BDADLO C[NH+](C)CCCCNC(=O)[C@H](F)C(F)(F)F ZINC000815593733 586688164 /nfs/dbraw/zinc/68/81/64/586688164.db2.gz VLTHTZUAOYTKOT-ZETCQYMHSA-N 1 2 244.232 1.345 20 0 BDADLO C[NH+](C)CCCCNC(=O)C(F)C(F)(F)F ZINC000815593733 586688166 /nfs/dbraw/zinc/68/81/66/586688166.db2.gz VLTHTZUAOYTKOT-ZETCQYMHSA-N 1 2 244.232 1.345 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000816030387 586704590 /nfs/dbraw/zinc/70/45/90/586704590.db2.gz MUQQWWMKOYEKKV-GNXNZQSNSA-N 1 2 248.326 1.942 20 0 BDADLO CN1CC[C@@H]([NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000816548954 586740007 /nfs/dbraw/zinc/74/00/07/586740007.db2.gz YEWUTDMMGCLNKF-MRVPVSSYSA-N 1 2 242.269 1.464 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cnn(C)c1Cl ZINC000816609811 586743965 /nfs/dbraw/zinc/74/39/65/586743965.db2.gz NJEBNFVKYCPYTR-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO Cn1ncc(C[N@H+](C)CC2(CO)CC2)c1Cl ZINC000816586880 586743126 /nfs/dbraw/zinc/74/31/26/586743126.db2.gz WMACPINBNZELNC-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1ncc(C[N@@H+](C)CC2(CO)CC2)c1Cl ZINC000816586880 586743131 /nfs/dbraw/zinc/74/31/31/586743131.db2.gz WMACPINBNZELNC-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816609811 586743966 /nfs/dbraw/zinc/74/39/66/586743966.db2.gz NJEBNFVKYCPYTR-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)[C@H]1C ZINC000816649357 586752744 /nfs/dbraw/zinc/75/27/44/586752744.db2.gz XVXDGUGSVVDQKR-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)[C@H]1C ZINC000816649357 586752745 /nfs/dbraw/zinc/75/27/45/586752745.db2.gz XVXDGUGSVVDQKR-SFYZADRCSA-N 1 2 213.712 1.914 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000859824848 589063841 /nfs/dbraw/zinc/06/38/41/589063841.db2.gz FNWUSJASFCULEJ-HTFCKZLJSA-N 1 2 243.347 1.730 20 0 BDADLO C[C@@H](CNC(=O)C(F)C(F)(F)F)C[NH+](C)C ZINC000816721546 586760288 /nfs/dbraw/zinc/76/02/88/586760288.db2.gz FOACDZSICKSHDM-NKWVEPMBSA-N 1 2 244.232 1.201 20 0 BDADLO C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C[NH+](C)C ZINC000816721546 586760286 /nfs/dbraw/zinc/76/02/86/586760286.db2.gz FOACDZSICKSHDM-NKWVEPMBSA-N 1 2 244.232 1.201 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816812618 586765332 /nfs/dbraw/zinc/76/53/32/586765332.db2.gz VGFNCPVELMZFIV-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000816821825 586766148 /nfs/dbraw/zinc/76/61/48/586766148.db2.gz NJQPHDSZCCBACI-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO CONC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816846078 586768376 /nfs/dbraw/zinc/76/83/76/586768376.db2.gz NRINASZVZNXRIV-GFCCVEGCSA-N 1 2 234.299 1.186 20 0 BDADLO CONC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816846078 586768378 /nfs/dbraw/zinc/76/83/78/586768378.db2.gz NRINASZVZNXRIV-GFCCVEGCSA-N 1 2 234.299 1.186 20 0 BDADLO Cc1cccc(CCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816912536 586771385 /nfs/dbraw/zinc/77/13/85/586771385.db2.gz BPKVHNNLGMXZQA-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO CCN(Cc1ccccn1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816944685 586772463 /nfs/dbraw/zinc/77/24/63/586772463.db2.gz IWRHYXGUJHCCHS-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC(C)C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816945834 586773092 /nfs/dbraw/zinc/77/30/92/586773092.db2.gz QOMPUMBKLHWUSZ-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000816970665 586775925 /nfs/dbraw/zinc/77/59/25/586775925.db2.gz GSGKMIDCGNSULT-MNOVXSKESA-N 1 2 249.314 1.026 20 0 BDADLO CCC[C@@H](OCC)C(=O)OCCn1cc[nH+]c1 ZINC000859839471 589065399 /nfs/dbraw/zinc/06/53/99/589065399.db2.gz FGIDOQKAWYQAPP-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817203004 586785724 /nfs/dbraw/zinc/78/57/24/586785724.db2.gz SVUFTBXDPVVRMX-IJLUTSLNSA-N 1 2 234.299 1.863 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000817288061 586793235 /nfs/dbraw/zinc/79/32/35/586793235.db2.gz GQOGTULKQONLAQ-MNOVXSKESA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)COC(=O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000817288061 586793237 /nfs/dbraw/zinc/79/32/37/586793237.db2.gz GQOGTULKQONLAQ-MNOVXSKESA-N 1 2 229.320 1.031 20 0 BDADLO Cc1cc(CNC(=O)c2nccn2C)cc(C)[nH+]1 ZINC000817388678 586800753 /nfs/dbraw/zinc/80/07/53/586800753.db2.gz LSRQPOLGXPFCOY-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1nnc(SCCc2cc[nH+]cc2C)n1N ZINC000817575782 586812123 /nfs/dbraw/zinc/81/21/23/586812123.db2.gz ZKCLHVOEBJVQBR-UHFFFAOYSA-N 1 2 249.343 1.339 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@H+]2CCF)n[nH]1 ZINC000859890145 589069194 /nfs/dbraw/zinc/06/91/94/589069194.db2.gz SEGAUOXMKCTVJJ-VIFPVBQESA-N 1 2 211.240 1.289 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@@H+]2CCF)n[nH]1 ZINC000859890145 589069196 /nfs/dbraw/zinc/06/91/96/589069196.db2.gz SEGAUOXMKCTVJJ-VIFPVBQESA-N 1 2 211.240 1.289 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2cccnc2)n1 ZINC000818222216 586880044 /nfs/dbraw/zinc/88/00/44/586880044.db2.gz RIHOJSPJYYMWEQ-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO COc1cccc2c1C[N@H+](CC1OCCO1)C2 ZINC000859940173 589072502 /nfs/dbraw/zinc/07/25/02/589072502.db2.gz ZYCRGVOGWYLQTK-UHFFFAOYSA-N 1 2 235.283 1.384 20 0 BDADLO COc1cccc2c1C[N@@H+](CC1OCCO1)C2 ZINC000859940173 589072503 /nfs/dbraw/zinc/07/25/03/589072503.db2.gz ZYCRGVOGWYLQTK-UHFFFAOYSA-N 1 2 235.283 1.384 20 0 BDADLO CCn1nc(C)c(CN[C@@H](C)c2[nH+]ccn2C)n1 ZINC000818343430 586887210 /nfs/dbraw/zinc/88/72/10/586887210.db2.gz BGFZYCLVAQPVQE-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO CCn1nc(C)c(CN[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000818345819 586887652 /nfs/dbraw/zinc/88/76/52/586887652.db2.gz PNTCFYRJIGEVGP-SECBINFHSA-N 1 2 234.307 1.180 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000818472254 586893231 /nfs/dbraw/zinc/89/32/31/586893231.db2.gz JPRWIQGHSXPUQW-VHSXEESVSA-N 1 2 229.283 1.815 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C(F)=C1CCC1 ZINC000818999080 586921978 /nfs/dbraw/zinc/92/19/78/586921978.db2.gz ZLXRQQOSFCTAMV-UHFFFAOYSA-N 1 2 237.278 1.797 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)NCCCn1cc[nH+]c1 ZINC000818998009 586922148 /nfs/dbraw/zinc/92/21/48/586922148.db2.gz OPWHJKAMOSGYPE-RXNFCKPNSA-N 1 2 249.314 1.125 20 0 BDADLO CCCCCC[C@H](O)C[NH2+]Cc1noc(C)n1 ZINC000819074113 586929099 /nfs/dbraw/zinc/92/90/99/586929099.db2.gz MDXWWRKKWFIBQI-NSHDSACASA-N 1 2 241.335 1.799 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCCO2)c(C)c[nH+]1 ZINC000819414097 586962397 /nfs/dbraw/zinc/96/23/97/586962397.db2.gz WSDQRYDXPJVXHL-FJOGCWAESA-N 1 2 246.310 1.794 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1ccns1 ZINC000860061770 589078447 /nfs/dbraw/zinc/07/84/47/589078447.db2.gz NLFTUKZKOQZCAH-ZCFIWIBFSA-N 1 2 210.262 1.377 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccc(N)n1)c1ccns1 ZINC000860061960 589078478 /nfs/dbraw/zinc/07/84/78/589078478.db2.gz PHMZLAGMTHVTPC-HTQZYQBOSA-N 1 2 249.343 1.927 20 0 BDADLO CC(C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819759377 586990272 /nfs/dbraw/zinc/99/02/72/586990272.db2.gz GRAUSFACEPYTRN-SSDOTTSWSA-N 1 2 200.307 1.640 20 0 BDADLO COCCCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819767353 586991889 /nfs/dbraw/zinc/99/18/89/586991889.db2.gz SJNVOPCDUKJABY-QMMMGPOBSA-N 1 2 230.333 1.411 20 0 BDADLO CC/C(C)=C/C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819779649 586992949 /nfs/dbraw/zinc/99/29/49/586992949.db2.gz AHJDWFFXOZOIBW-WVXIBAHESA-N 1 2 212.318 1.950 20 0 BDADLO COC(C)(C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819779866 586993737 /nfs/dbraw/zinc/99/37/37/586993737.db2.gz AQWLYMDPMPJXPQ-SSDOTTSWSA-N 1 2 230.333 1.409 20 0 BDADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1cnsn1 ZINC000860089230 589079910 /nfs/dbraw/zinc/07/99/10/589079910.db2.gz BYZSDNYAXZHBBA-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1cnsn1 ZINC000860089230 589079912 /nfs/dbraw/zinc/07/99/12/589079912.db2.gz BYZSDNYAXZHBBA-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C/C(=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000820267994 587039312 /nfs/dbraw/zinc/03/93/12/587039312.db2.gz OIJMAJLYCNLCTM-UFGYOYAJSA-N 1 2 219.288 1.943 20 0 BDADLO CC(=CC(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000820267994 587039314 /nfs/dbraw/zinc/03/93/14/587039314.db2.gz OIJMAJLYCNLCTM-UFGYOYAJSA-N 1 2 219.288 1.943 20 0 BDADLO CC[C@@H](C)CONC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820279878 587040403 /nfs/dbraw/zinc/04/04/03/587040403.db2.gz SZUJPDURJDXGOM-WWQCOOJYSA-N 1 2 237.303 1.527 20 0 BDADLO CCc1cnc(NC(=O)C[NH+]2CCCC2)s1 ZINC000820353207 587044711 /nfs/dbraw/zinc/04/47/11/587044711.db2.gz VBTYNVLFWSVKAA-UHFFFAOYSA-N 1 2 239.344 1.740 20 0 BDADLO Cc1cnc(NCCCn2cc[nH+]c2)o1 ZINC000820599407 587058159 /nfs/dbraw/zinc/05/81/59/587058159.db2.gz SICZSCXHEOIXGG-UHFFFAOYSA-N 1 2 206.249 1.682 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C\c2cn(C)c[nH+]2)[C@@H]1C ZINC000820656282 587063184 /nfs/dbraw/zinc/06/31/84/587063184.db2.gz KPLWLLVFFNSFBK-BYIQDMNASA-N 1 2 219.288 1.300 20 0 BDADLO C[C@@H](NCc1cc[nH]n1)c1cn2c([nH+]1)CCCC2 ZINC000820810145 587074055 /nfs/dbraw/zinc/07/40/55/587074055.db2.gz PYHZPFCPYQTJGH-SNVBAGLBSA-N 1 2 245.330 1.793 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC1(Cl)Cl ZINC000821006474 587087936 /nfs/dbraw/zinc/08/79/36/587087936.db2.gz YFXXHASNMPJPRR-ZCFIWIBFSA-N 1 2 248.113 1.262 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@H]2C2CC2)c1 ZINC000821149059 587098704 /nfs/dbraw/zinc/09/87/04/587098704.db2.gz GHAVTGPEKCLOKE-ITKZLYELSA-N 1 2 231.299 1.444 20 0 BDADLO Cc1ccc([C@@H](O)C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000821263248 587104008 /nfs/dbraw/zinc/10/40/08/587104008.db2.gz XNWZSNMPBVGQFH-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000821263248 587104010 /nfs/dbraw/zinc/10/40/10/587104010.db2.gz XNWZSNMPBVGQFH-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000821332642 587108450 /nfs/dbraw/zinc/10/84/50/587108450.db2.gz SSQYYZRESQNTQM-ZDUSSCGKSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC=C(c2ccccn2)C1 ZINC000821332642 587108452 /nfs/dbraw/zinc/10/84/52/587108452.db2.gz SSQYYZRESQNTQM-ZDUSSCGKSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821332049 587108547 /nfs/dbraw/zinc/10/85/47/587108547.db2.gz JDKKAEKXWHNMKW-YPMHNXCESA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821332049 587108549 /nfs/dbraw/zinc/10/85/49/587108549.db2.gz JDKKAEKXWHNMKW-YPMHNXCESA-N 1 2 246.310 1.577 20 0 BDADLO Nc1cc(COC(=O)/C=C/[C@@H]2CCCO2)cc[nH+]1 ZINC000821398843 587117367 /nfs/dbraw/zinc/11/73/67/587117367.db2.gz TZOKKHNYCWFGKL-UFFNRZRYSA-N 1 2 248.282 1.442 20 0 BDADLO CCCC(=O)OCc1ccc[nH+]c1N(C)C ZINC000821608209 587132275 /nfs/dbraw/zinc/13/22/75/587132275.db2.gz XIEJCFSSKNIYFM-UHFFFAOYSA-N 1 2 222.288 1.991 20 0 BDADLO CC(C)(NC(=O)c1coc(C=O)c1)c1[nH]cc[nH+]1 ZINC000821756808 587136921 /nfs/dbraw/zinc/13/69/21/587136921.db2.gz ANTZXYAXWYRBIS-UHFFFAOYSA-N 1 2 247.254 1.480 20 0 BDADLO CSC(C)(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000822156553 587157304 /nfs/dbraw/zinc/15/73/04/587157304.db2.gz UFAGYSYOLONFEY-SECBINFHSA-N 1 2 241.360 1.529 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@H]2CC2(C)C)c1 ZINC000822642844 587179078 /nfs/dbraw/zinc/17/90/78/587179078.db2.gz NAWQKECDSOMIGN-YEZKRMTDSA-N 1 2 219.288 1.348 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CCC2(C)C)[nH+]1 ZINC000822923697 587193489 /nfs/dbraw/zinc/19/34/89/587193489.db2.gz YUVZEDCKBLSXTI-JTQLQIEISA-N 1 2 235.331 1.819 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000822952519 587195185 /nfs/dbraw/zinc/19/51/85/587195185.db2.gz STOAWWXIDASWPD-MMRAYRKESA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000822952519 587195186 /nfs/dbraw/zinc/19/51/86/587195186.db2.gz STOAWWXIDASWPD-MMRAYRKESA-N 1 2 240.347 1.180 20 0 BDADLO C=C=CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000823081574 587201452 /nfs/dbraw/zinc/20/14/52/587201452.db2.gz NBVSFKFHUTURMF-LBPRGKRZSA-N 1 2 233.315 1.928 20 0 BDADLO O=C(N[C@@H]1CC12CC2)c1cc2c[nH+]ccc2[nH]1 ZINC000823228241 587210123 /nfs/dbraw/zinc/21/01/23/587210123.db2.gz XQKJYRRDORLGFN-LLVKDONJSA-N 1 2 227.267 1.845 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CC23CC3)c1 ZINC000823228249 587210128 /nfs/dbraw/zinc/21/01/28/587210128.db2.gz XQLQTTCPKHCHBM-VMZHVLLKSA-N 1 2 217.272 1.102 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)C2(C)CC=CC2)S1 ZINC000823307903 587215398 /nfs/dbraw/zinc/21/53/98/587215398.db2.gz XYELROVRAYSRKW-MRVPVSSYSA-N 1 2 224.329 1.950 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)[C@]2(C)C=CCC2)S1 ZINC000823307673 587215674 /nfs/dbraw/zinc/21/56/74/587215674.db2.gz VLICHXUSCLYEEY-LDYMZIIASA-N 1 2 224.329 1.950 20 0 BDADLO C[N@H+](CCO)Cc1ccnc(Cl)c1F ZINC000823379477 587218778 /nfs/dbraw/zinc/21/87/78/587218778.db2.gz MDMIFACYSUOFIF-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO C[N@@H+](CCO)Cc1ccnc(Cl)c1F ZINC000823379477 587218779 /nfs/dbraw/zinc/21/87/79/587218779.db2.gz MDMIFACYSUOFIF-UHFFFAOYSA-N 1 2 218.659 1.298 20 0 BDADLO OCC[N@H+](Cc1ccnc(Cl)c1F)C1CC1 ZINC000823399699 587219343 /nfs/dbraw/zinc/21/93/43/587219343.db2.gz PAJKOMHMWULWIK-UHFFFAOYSA-N 1 2 244.697 1.831 20 0 BDADLO OCC[N@@H+](Cc1ccnc(Cl)c1F)C1CC1 ZINC000823399699 587219344 /nfs/dbraw/zinc/21/93/44/587219344.db2.gz PAJKOMHMWULWIK-UHFFFAOYSA-N 1 2 244.697 1.831 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCC[C@H](OC)C2)n1 ZINC000823409294 587220241 /nfs/dbraw/zinc/22/02/41/587220241.db2.gz XAADHJWLHSVFKD-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCC[C@H](OC)C2)n1 ZINC000823409294 587220243 /nfs/dbraw/zinc/22/02/43/587220243.db2.gz XAADHJWLHSVFKD-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823477504 587225175 /nfs/dbraw/zinc/22/51/75/587225175.db2.gz SHEPAJIMNWDLMX-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823477504 587225176 /nfs/dbraw/zinc/22/51/76/587225176.db2.gz SHEPAJIMNWDLMX-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824272367 587264076 /nfs/dbraw/zinc/26/40/76/587264076.db2.gz VZVWEZJOJCVTNM-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccnc(Cl)c1F ZINC000824272367 587264077 /nfs/dbraw/zinc/26/40/77/587264077.db2.gz VZVWEZJOJCVTNM-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(C(C)C)C2)n1 ZINC000824307718 587265291 /nfs/dbraw/zinc/26/52/91/587265291.db2.gz OOYJFULZPMLJLK-UHFFFAOYSA-N 1 2 222.336 1.694 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)C=CCC1 ZINC000824628282 587280385 /nfs/dbraw/zinc/28/03/85/587280385.db2.gz AFFYNMXNCAGWTO-GFCCVEGCSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)C=CCC1 ZINC000824628282 587280386 /nfs/dbraw/zinc/28/03/86/587280386.db2.gz AFFYNMXNCAGWTO-GFCCVEGCSA-N 1 2 219.288 1.724 20 0 BDADLO O=C1C[C@@H](Oc2ccc([NH2+]CC3CC3)cc2)N1 ZINC000824999853 587298164 /nfs/dbraw/zinc/29/81/64/587298164.db2.gz SDOWOVJAHBBAQK-CYBMUJFWSA-N 1 2 232.283 1.733 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCCCC1CC1 ZINC000825669596 587330273 /nfs/dbraw/zinc/33/02/73/587330273.db2.gz AUXRCLKLEVHBNL-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)CSCCF ZINC000825665792 587330508 /nfs/dbraw/zinc/33/05/08/587330508.db2.gz DHOGABPAAXSDQH-RKDXNWHRSA-N 1 2 237.340 1.619 20 0 BDADLO C/C(=C\C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)[O-] ZINC000825735123 587334717 /nfs/dbraw/zinc/33/47/17/587334717.db2.gz NLIUQNZAEQHNQZ-WTDSWWLTSA-N 1 2 249.314 1.620 20 0 BDADLO CC(C)N(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000825900594 587344958 /nfs/dbraw/zinc/34/49/58/587344958.db2.gz OETGOIBBDHEIDV-UHFFFAOYSA-N 1 2 207.277 1.352 20 0 BDADLO COC[C@H](C)Nc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000826149470 587351413 /nfs/dbraw/zinc/35/14/13/587351413.db2.gz ICSLPXSKSBLZBV-QMMMGPOBSA-N 1 2 248.290 1.017 20 0 BDADLO COC(=O)C[N@H+](C)CCC(=O)CC(C)C ZINC000827712717 587398458 /nfs/dbraw/zinc/39/84/58/587398458.db2.gz NABXGLDVZZEVAO-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)C[N@@H+](C)CCC(=O)CC(C)C ZINC000827712717 587398460 /nfs/dbraw/zinc/39/84/60/587398460.db2.gz NABXGLDVZZEVAO-UHFFFAOYSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CC[S@](C)=O)no1 ZINC000827720494 587399300 /nfs/dbraw/zinc/39/93/00/587399300.db2.gz YCNYJNWYTXYVRL-BZNIZROVSA-N 1 2 242.344 1.498 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CC[S@](C)=O)no1 ZINC000827720494 587399302 /nfs/dbraw/zinc/39/93/02/587399302.db2.gz YCNYJNWYTXYVRL-BZNIZROVSA-N 1 2 242.344 1.498 20 0 BDADLO C[S@@](=O)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827978938 587412468 /nfs/dbraw/zinc/41/24/68/587412468.db2.gz DLXLJKDQMUPYAW-MLGOLLRUSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@@](=O)CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000827978938 587412469 /nfs/dbraw/zinc/41/24/69/587412469.db2.gz DLXLJKDQMUPYAW-MLGOLLRUSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@@](=O)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000828127819 587420746 /nfs/dbraw/zinc/42/07/46/587420746.db2.gz XJPOSINWMOGFHQ-MRXNPFEDSA-N 1 2 238.356 1.425 20 0 BDADLO C[S@@](=O)CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000828127819 587420749 /nfs/dbraw/zinc/42/07/49/587420749.db2.gz XJPOSINWMOGFHQ-MRXNPFEDSA-N 1 2 238.356 1.425 20 0 BDADLO CCCONC(=O)NCCNc1cccc[nH+]1 ZINC000828231796 587426549 /nfs/dbraw/zinc/42/65/49/587426549.db2.gz ANKXRFGXLLRQDM-UHFFFAOYSA-N 1 2 238.291 1.134 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000828409086 587440500 /nfs/dbraw/zinc/44/05/00/587440500.db2.gz ZEAJLSKLSJVGKM-DGCLKSJQSA-N 1 2 243.347 1.073 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000828409086 587440501 /nfs/dbraw/zinc/44/05/01/587440501.db2.gz ZEAJLSKLSJVGKM-DGCLKSJQSA-N 1 2 243.347 1.073 20 0 BDADLO C[S@@](=O)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000828519660 587447625 /nfs/dbraw/zinc/44/76/25/587447625.db2.gz HWQMMBDAYWVFDU-BDJLRTHQSA-N 1 2 241.360 1.315 20 0 BDADLO C[S@@](=O)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000828519660 587447627 /nfs/dbraw/zinc/44/76/27/587447627.db2.gz HWQMMBDAYWVFDU-BDJLRTHQSA-N 1 2 241.360 1.315 20 0 BDADLO CCc1nocc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000828779590 587461797 /nfs/dbraw/zinc/46/17/97/587461797.db2.gz CYTVFVRGPWEJJR-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO CCc1nocc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000828779590 587461799 /nfs/dbraw/zinc/46/17/99/587461799.db2.gz CYTVFVRGPWEJJR-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO CO[C@@H](C)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829091563 587482630 /nfs/dbraw/zinc/48/26/30/587482630.db2.gz VMTLQXNISQRGRA-VIFPVBQESA-N 1 2 249.314 1.209 20 0 BDADLO Clc1cc2c(nn1)C[N@@H+]([C@@H]1CCOC1)CC2 ZINC000829169664 587486545 /nfs/dbraw/zinc/48/65/45/587486545.db2.gz QWCMZITUZLXCFZ-SECBINFHSA-N 1 2 239.706 1.277 20 0 BDADLO Clc1cc2c(nn1)C[N@H+]([C@@H]1CCOC1)CC2 ZINC000829169664 587486546 /nfs/dbraw/zinc/48/65/46/587486546.db2.gz QWCMZITUZLXCFZ-SECBINFHSA-N 1 2 239.706 1.277 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C3CCCC3)cc2C1 ZINC000829471810 587499221 /nfs/dbraw/zinc/49/92/21/587499221.db2.gz HGMRZOIUDPGUPM-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C3CCCC3)cc2C1 ZINC000829471810 587499222 /nfs/dbraw/zinc/49/92/22/587499222.db2.gz HGMRZOIUDPGUPM-UHFFFAOYSA-N 1 2 248.330 1.457 20 0 BDADLO C[C@@]1(F)CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000830212207 587541264 /nfs/dbraw/zinc/54/12/64/587541264.db2.gz LYYUCNYCLBTGFA-PSASIEDQSA-N 1 2 201.241 1.126 20 0 BDADLO C[C@@]1(F)CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000830212209 587541239 /nfs/dbraw/zinc/54/12/39/587541239.db2.gz LYYUCNYCLBTGFA-WCBMZHEXSA-N 1 2 201.241 1.126 20 0 BDADLO C[C@@]1(F)CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000830212209 587541241 /nfs/dbraw/zinc/54/12/41/587541241.db2.gz LYYUCNYCLBTGFA-WCBMZHEXSA-N 1 2 201.241 1.126 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2C2CCOCC2)c[nH+]1 ZINC000830241338 587543383 /nfs/dbraw/zinc/54/33/83/587543383.db2.gz OEVCACHYRKLLBX-WDEREUQCSA-N 1 2 249.314 1.263 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccnn1CC1CC1 ZINC000830348927 587546770 /nfs/dbraw/zinc/54/67/70/587546770.db2.gz UFNLBVUGRMBORV-UHFFFAOYSA-N 1 2 245.286 1.197 20 0 BDADLO CC[C@H](C)N(OC)C(=O)Cc1[nH]cc[nH+]1 ZINC000830482229 587553892 /nfs/dbraw/zinc/55/38/92/587553892.db2.gz QUQVDTSWHUCLTN-QMMMGPOBSA-N 1 2 211.265 1.141 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)Cc1[nH]cc[nH+]1 ZINC000830482228 587553905 /nfs/dbraw/zinc/55/39/05/587553905.db2.gz QUQVDTSWHUCLTN-MRVPVSSYSA-N 1 2 211.265 1.141 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC(F)(F)C1 ZINC000830515702 587555011 /nfs/dbraw/zinc/55/50/11/587555011.db2.gz CLBUKBLCZZYIOA-MRVPVSSYSA-N 1 2 243.257 1.646 20 0 BDADLO CCC(F)(F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000830662104 587562805 /nfs/dbraw/zinc/56/28/05/587562805.db2.gz IORKRDVTZHBIIK-ZETCQYMHSA-N 1 2 243.257 1.429 20 0 BDADLO CCC(F)(F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000830662104 587562806 /nfs/dbraw/zinc/56/28/06/587562806.db2.gz IORKRDVTZHBIIK-ZETCQYMHSA-N 1 2 243.257 1.429 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838401 587573288 /nfs/dbraw/zinc/57/32/88/587573288.db2.gz AVHLOBRPKKNEFT-GHMZBOCLSA-N 1 2 239.315 1.335 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838401 587573289 /nfs/dbraw/zinc/57/32/89/587573289.db2.gz AVHLOBRPKKNEFT-GHMZBOCLSA-N 1 2 239.315 1.335 20 0 BDADLO CC[C@H](C[C@@H](C)O)NC(=O)CCc1[nH]cc[nH+]1 ZINC000831309828 587597214 /nfs/dbraw/zinc/59/72/14/587597214.db2.gz FCMUFYBTGLYSPO-NXEZZACHSA-N 1 2 239.319 1.008 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000831338392 587599669 /nfs/dbraw/zinc/59/96/69/587599669.db2.gz KBULDAGIGNFOPI-POYBYMJQSA-N 1 2 247.220 1.267 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000831338392 587599671 /nfs/dbraw/zinc/59/96/71/587599671.db2.gz KBULDAGIGNFOPI-POYBYMJQSA-N 1 2 247.220 1.267 20 0 BDADLO Cc1cnc(CNC(=O)Cc2c[nH]c[nH+]2)c(C)c1 ZINC000831525787 587616793 /nfs/dbraw/zinc/61/67/93/587616793.db2.gz ZXMHLLRNPXOSKZ-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO Cc1cnc(CNC(=O)Cc2c[nH+]c[nH]2)c(C)c1 ZINC000831525787 587616794 /nfs/dbraw/zinc/61/67/94/587616794.db2.gz ZXMHLLRNPXOSKZ-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO CC(C)(C)OC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000831740810 587629562 /nfs/dbraw/zinc/62/95/62/587629562.db2.gz XXWSDUPBCHTXAY-QMMMGPOBSA-N 1 2 223.276 1.853 20 0 BDADLO C[C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000831739060 587629618 /nfs/dbraw/zinc/62/96/18/587629618.db2.gz PZBQOUPNDWHDRC-QWRGUYRKSA-N 1 2 248.330 1.769 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCCS1 ZINC000832016811 587642741 /nfs/dbraw/zinc/64/27/41/587642741.db2.gz ANMXAKKHDVZAFJ-SECBINFHSA-N 1 2 239.344 1.354 20 0 BDADLO CC(C)NC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000867075796 587646022 /nfs/dbraw/zinc/64/60/22/587646022.db2.gz NIJNRDBCLAZFIF-VIFPVBQESA-N 1 2 222.292 1.665 20 0 BDADLO CC[C@@H](CC(F)(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832198927 587649580 /nfs/dbraw/zinc/64/95/80/587649580.db2.gz ZVHAAKSYGZVGLE-ZETCQYMHSA-N 1 2 249.236 1.799 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)OCC(C)C ZINC000832574238 587667377 /nfs/dbraw/zinc/66/73/77/587667377.db2.gz GVMFLDQKNDRWPZ-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000832655579 587674213 /nfs/dbraw/zinc/67/42/13/587674213.db2.gz RAGIGEGMYLXXSG-DDHJBXDOSA-N 1 2 247.342 1.828 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000832655582 587674299 /nfs/dbraw/zinc/67/42/99/587674299.db2.gz RAGIGEGMYLXXSG-WRWGMCAJSA-N 1 2 247.342 1.828 20 0 BDADLO CCn1ccnc1SCC[NH+]1CCOCC1 ZINC000832838254 587693119 /nfs/dbraw/zinc/69/31/19/587693119.db2.gz RRYLFDAFHXKJPY-UHFFFAOYSA-N 1 2 241.360 1.327 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833286700 587704668 /nfs/dbraw/zinc/70/46/68/587704668.db2.gz ZWXQTTAWLDEGRZ-IUCAKERBSA-N 1 2 219.288 1.490 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)nc1 ZINC000833286577 587704880 /nfs/dbraw/zinc/70/48/80/587704880.db2.gz YEWWBIJTAQKTFU-SNVBAGLBSA-N 1 2 242.282 1.461 20 0 BDADLO CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000833458114 587715218 /nfs/dbraw/zinc/71/52/18/587715218.db2.gz CYZFUBSNKVAKBH-UHFFFAOYSA-N 1 2 247.298 1.535 20 0 BDADLO CCC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000834424286 587754900 /nfs/dbraw/zinc/75/49/00/587754900.db2.gz XLIXBEZFEQCQDE-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000834440475 587755456 /nfs/dbraw/zinc/75/54/56/587755456.db2.gz QFSDAPHPVFEZSX-QMMMGPOBSA-N 1 2 245.286 1.185 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000834440475 587755457 /nfs/dbraw/zinc/75/54/57/587755457.db2.gz QFSDAPHPVFEZSX-QMMMGPOBSA-N 1 2 245.286 1.185 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCS[C@H](C)C2)c[nH+]1 ZINC000834669748 587763564 /nfs/dbraw/zinc/76/35/64/587763564.db2.gz CHOPDQVJDNLWOD-APPZFPTMSA-N 1 2 239.344 1.732 20 0 BDADLO O=C(CC1(O)CCC1)Nc1ccn2cc[nH+]c2c1 ZINC000834837101 587768400 /nfs/dbraw/zinc/76/84/00/587768400.db2.gz QOEADQXKYVBBQS-UHFFFAOYSA-N 1 2 245.282 1.578 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834847293 587768465 /nfs/dbraw/zinc/76/84/65/587768465.db2.gz GEGTVCSVWUUAGK-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@@H]2C[C@H]2CC)C1 ZINC000835319466 587796185 /nfs/dbraw/zinc/79/61/85/587796185.db2.gz JZPPVEKXWMLUHA-ZYHUDNBSSA-N 1 2 241.331 1.296 20 0 BDADLO CCC1(CNC(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000836338527 587830955 /nfs/dbraw/zinc/83/09/55/587830955.db2.gz CLXRYXIXUGTVFZ-SNVBAGLBSA-N 1 2 248.330 1.817 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000836375379 587831951 /nfs/dbraw/zinc/83/19/51/587831951.db2.gz XJFVHEFODMTDLO-GXSJLCMTSA-N 1 2 248.330 1.816 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836520518 587834622 /nfs/dbraw/zinc/83/46/22/587834622.db2.gz ZOPVETMWIWZEDV-VWYCJHECSA-N 1 2 248.330 1.768 20 0 BDADLO C[C@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)C[C@H]1C ZINC000836519842 587834684 /nfs/dbraw/zinc/83/46/84/587834684.db2.gz WYJIZBCWCANJKQ-AXFHLTTASA-N 1 2 248.330 1.625 20 0 BDADLO C[NH+](C)CC(C)(C)NC(=O)[C@H](F)C(F)(F)F ZINC000837238949 587860870 /nfs/dbraw/zinc/86/08/70/587860870.db2.gz DSNPMXWNKQONJG-LURJTMIESA-N 1 2 244.232 1.343 20 0 BDADLO C[NH+](C)CC(C)(C)NC(=O)C(F)C(F)(F)F ZINC000837238949 587860871 /nfs/dbraw/zinc/86/08/71/587860871.db2.gz DSNPMXWNKQONJG-LURJTMIESA-N 1 2 244.232 1.343 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cc[nH]c1 ZINC000837561438 587881807 /nfs/dbraw/zinc/88/18/07/587881807.db2.gz ACRPIYWTBVOQGV-UHFFFAOYSA-N 1 2 219.244 1.148 20 0 BDADLO CCC[C@](C)(O)C(=O)OCCc1c[nH+]cn1C ZINC000837587202 587884237 /nfs/dbraw/zinc/88/42/37/587884237.db2.gz IVCPQHXKLGYLTN-LBPRGKRZSA-N 1 2 240.303 1.057 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cc(F)c[nH]1 ZINC000837745778 587894108 /nfs/dbraw/zinc/89/41/08/587894108.db2.gz JEMYBFLLZHQHLW-UHFFFAOYSA-N 1 2 237.234 1.287 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC[C@H](C)O ZINC000842033626 587991647 /nfs/dbraw/zinc/99/16/47/587991647.db2.gz SMILCMAVDYCNQV-UWVGGRQHSA-N 1 2 232.324 1.317 20 0 BDADLO COC1(CCO[NH+]=C(N)[C@H]2CCCO2)CCC1 ZINC000842046836 587992813 /nfs/dbraw/zinc/99/28/13/587992813.db2.gz GSXPZKYDZMVUPF-SNVBAGLBSA-N 1 2 242.319 1.623 20 0 BDADLO CC[N@H+](CCSC)Cn1ncn(C)c1=S ZINC000842644106 588048489 /nfs/dbraw/zinc/04/84/89/588048489.db2.gz JRMDZQBAHUSLLP-UHFFFAOYSA-N 1 2 246.405 1.593 20 0 BDADLO CC[N@@H+](CCSC)Cn1ncn(C)c1=S ZINC000842644106 588048490 /nfs/dbraw/zinc/04/84/90/588048490.db2.gz JRMDZQBAHUSLLP-UHFFFAOYSA-N 1 2 246.405 1.593 20 0 BDADLO NC(COC[C@H]1CCCO1)=[NH+]OC1CCC1 ZINC000842656660 588050329 /nfs/dbraw/zinc/05/03/29/588050329.db2.gz OHBDBLAGCKJSJB-SNVBAGLBSA-N 1 2 228.292 1.233 20 0 BDADLO CCc1cc(C[NH2+]Cc2cncnc2OC)[nH]n1 ZINC000842681205 588052369 /nfs/dbraw/zinc/05/23/69/588052369.db2.gz UKKCBPNWJQVFBG-UHFFFAOYSA-N 1 2 247.302 1.061 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867499427 588073368 /nfs/dbraw/zinc/07/33/68/588073368.db2.gz LCFKXNVEOADWRK-GDPRMGEGSA-N 1 2 237.303 1.090 20 0 BDADLO CC(C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000867317880 588078873 /nfs/dbraw/zinc/07/88/73/588078873.db2.gz VZUXSSHQJIIHKW-MRVPVSSYSA-N 1 2 208.265 1.036 20 0 BDADLO CC[NH2+]Cc1noc(C(=O)Nc2ccccc2)n1 ZINC000843141769 588085983 /nfs/dbraw/zinc/08/59/83/588085983.db2.gz RZKGRTOTYWQQGZ-UHFFFAOYSA-N 1 2 246.270 1.431 20 0 BDADLO CC[NH2+]Cc1noc(CCc2ccnc(C)n2)n1 ZINC000843144030 588086047 /nfs/dbraw/zinc/08/60/47/588086047.db2.gz SDVMKTNNUHQAJV-UHFFFAOYSA-N 1 2 247.302 1.063 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@H]2CC[C@H](C)O2)n1 ZINC000843144891 588086564 /nfs/dbraw/zinc/08/65/64/588086564.db2.gz NDFHYNOPKFUPAS-VHSXEESVSA-N 1 2 239.319 1.679 20 0 BDADLO CC[NH2+]Cc1noc(C2(CCOC)CC2)n1 ZINC000843144886 588087086 /nfs/dbraw/zinc/08/70/86/588087086.db2.gz MYZJXCPCACQCDR-UHFFFAOYSA-N 1 2 225.292 1.247 20 0 BDADLO O=C(NCCc1cn2ccccc2[nH+]1)C1(F)CC1 ZINC000843525221 588119691 /nfs/dbraw/zinc/11/96/91/588119691.db2.gz WFTDSULRORQLKR-UHFFFAOYSA-N 1 2 247.273 1.495 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(C(F)F)CC2)c1 ZINC000843605188 588129302 /nfs/dbraw/zinc/12/93/02/588129302.db2.gz HOXZRXHYUUTRLJ-UHFFFAOYSA-N 1 2 243.257 1.124 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000867332566 588135489 /nfs/dbraw/zinc/13/54/89/588135489.db2.gz UTCPUDRILCFVLL-FZMZJTMJSA-N 1 2 247.342 1.659 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883162 588147473 /nfs/dbraw/zinc/14/74/73/588147473.db2.gz BCPUKBWVQDFQOF-CMDGGOBGSA-N 1 2 248.330 1.730 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC=C(Cl)Cl ZINC000844239597 588176725 /nfs/dbraw/zinc/17/67/25/588176725.db2.gz RVWXMVVZYDPKAD-RXMQYKEDSA-N 1 2 227.091 1.839 20 0 BDADLO CSCC1(CC(=O)NC2=[NH+]CCS2)CC1 ZINC000844317336 588184036 /nfs/dbraw/zinc/18/40/36/588184036.db2.gz QRRFXPLBGCACGQ-UHFFFAOYSA-N 1 2 244.385 1.739 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnoc2C)[C@@H](C)CO1 ZINC000844390314 588189079 /nfs/dbraw/zinc/18/90/79/588189079.db2.gz GJJYUVBHNJYJPT-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnoc2C)[C@@H](C)CO1 ZINC000844390314 588189081 /nfs/dbraw/zinc/18/90/81/588189081.db2.gz GJJYUVBHNJYJPT-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H](CC(=O)OCc1cnccn1)n1cc[nH+]c1 ZINC000844400002 588190195 /nfs/dbraw/zinc/19/01/95/588190195.db2.gz IPJUYDJBSBNWPQ-SNVBAGLBSA-N 1 2 246.270 1.368 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455414 588196127 /nfs/dbraw/zinc/19/61/27/588196127.db2.gz AYXPGGMCDPQDME-DTORHVGOSA-N 1 2 233.258 1.383 20 0 BDADLO CC(C)COC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455414 588196129 /nfs/dbraw/zinc/19/61/29/588196129.db2.gz AYXPGGMCDPQDME-DTORHVGOSA-N 1 2 233.258 1.383 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@@H](C)CC2=O)[C@H](C)CO1 ZINC000844728472 588215390 /nfs/dbraw/zinc/21/53/90/588215390.db2.gz IITUZNHRFAMWCL-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@@H](C)CC2=O)[C@H](C)CO1 ZINC000844728472 588215391 /nfs/dbraw/zinc/21/53/91/588215391.db2.gz IITUZNHRFAMWCL-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO C/C=C\COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845277571 588225072 /nfs/dbraw/zinc/22/50/72/588225072.db2.gz HTXUHFPKBNZHAH-UMBAGQNISA-N 1 2 208.261 1.954 20 0 BDADLO CC(C)OCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279737 588225328 /nfs/dbraw/zinc/22/53/28/588225328.db2.gz YYUDQPAXKKJOSI-LLVKDONJSA-N 1 2 240.303 1.802 20 0 BDADLO C[C@H](CC(=O)OCCCCO)n1cc[nH+]c1 ZINC000845283098 588225372 /nfs/dbraw/zinc/22/53/72/588225372.db2.gz SPVNQNDNEONMRH-SNVBAGLBSA-N 1 2 226.276 1.150 20 0 BDADLO C[C@@H](CC(=O)OC[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000845280262 588225525 /nfs/dbraw/zinc/22/55/25/588225525.db2.gz IBYRESJSJHPIIY-WDEREUQCSA-N 1 2 238.287 1.414 20 0 BDADLO C[C@H](CC(=O)OCCc1cn[nH]c1)n1cc[nH+]c1 ZINC000845480788 588230152 /nfs/dbraw/zinc/23/01/52/588230152.db2.gz ONALCSVDOCSPFR-SNVBAGLBSA-N 1 2 248.286 1.343 20 0 BDADLO CC(=O)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845899542 588249360 /nfs/dbraw/zinc/24/93/60/588249360.db2.gz FZPTXUJHXLNCRN-SNVBAGLBSA-N 1 2 237.303 1.272 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](COC)CC(C)(C)C ZINC000845962732 588252100 /nfs/dbraw/zinc/25/21/00/588252100.db2.gz APRLVRSTDCYRDP-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC[C@H](F)C2)n1 ZINC000846119070 588257963 /nfs/dbraw/zinc/25/79/63/588257963.db2.gz AHKWCRQHFZNRFQ-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nccc(C[N@H+]2CCC[C@H](F)C2)n1 ZINC000846119070 588257964 /nfs/dbraw/zinc/25/79/64/588257964.db2.gz AHKWCRQHFZNRFQ-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO COC/C(C)=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846247584 588262558 /nfs/dbraw/zinc/26/25/58/588262558.db2.gz SOLQMYKYIYNZIQ-VQHVLOKHSA-N 1 2 237.303 1.354 20 0 BDADLO CCCONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846278307 588263843 /nfs/dbraw/zinc/26/38/43/588263843.db2.gz QTPAOADTDJOMLQ-SECBINFHSA-N 1 2 211.265 1.292 20 0 BDADLO CC(C)(C)C[N@H+](CCCO)Cc1cnsn1 ZINC000846801654 588289107 /nfs/dbraw/zinc/28/91/07/588289107.db2.gz DOXUGKWXHWEAPW-UHFFFAOYSA-N 1 2 243.376 1.769 20 0 BDADLO CC(C)(C)C[N@@H+](CCCO)Cc1cnsn1 ZINC000846801654 588289108 /nfs/dbraw/zinc/28/91/08/588289108.db2.gz DOXUGKWXHWEAPW-UHFFFAOYSA-N 1 2 243.376 1.769 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846805337 588289558 /nfs/dbraw/zinc/28/95/58/588289558.db2.gz BOYGZCLUHUBWFS-GHMZBOCLSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846805337 588289559 /nfs/dbraw/zinc/28/95/59/588289559.db2.gz BOYGZCLUHUBWFS-GHMZBOCLSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CCC1=O ZINC000846863765 588294006 /nfs/dbraw/zinc/29/40/06/588294006.db2.gz ZBOIMDWVKRKMQY-SECBINFHSA-N 1 2 245.282 1.634 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CCC1=O ZINC000846863765 588294007 /nfs/dbraw/zinc/29/40/07/588294007.db2.gz ZBOIMDWVKRKMQY-SECBINFHSA-N 1 2 245.282 1.634 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846942399 588297788 /nfs/dbraw/zinc/29/77/88/588297788.db2.gz QMTXNOSWMAFQGC-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846942399 588297789 /nfs/dbraw/zinc/29/77/89/588297789.db2.gz QMTXNOSWMAFQGC-MRVPVSSYSA-N 1 2 215.347 1.475 20 0 BDADLO CCOC(C[N@H+](CC)[C@@H](C)C(=O)OC)OCC ZINC000846971218 588299200 /nfs/dbraw/zinc/29/92/00/588299200.db2.gz SRXRGLJPHGTATD-JTQLQIEISA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(C[N@@H+](CC)[C@@H](C)C(=O)OC)OCC ZINC000846971218 588299201 /nfs/dbraw/zinc/29/92/01/588299201.db2.gz SRXRGLJPHGTATD-JTQLQIEISA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(C[N@H+](CC)[C@H](C)C(=O)OC)OCC ZINC000846971220 588299232 /nfs/dbraw/zinc/29/92/32/588299232.db2.gz SRXRGLJPHGTATD-SNVBAGLBSA-N 1 2 247.335 1.269 20 0 BDADLO CCOC(C[N@@H+](CC)[C@H](C)C(=O)OC)OCC ZINC000846971220 588299233 /nfs/dbraw/zinc/29/92/33/588299233.db2.gz SRXRGLJPHGTATD-SNVBAGLBSA-N 1 2 247.335 1.269 20 0 BDADLO CON1CC[NH+](CCc2csc(C)n2)CC1 ZINC000846974536 588299721 /nfs/dbraw/zinc/29/97/21/588299721.db2.gz BRMIJNGFIQGVIS-UHFFFAOYSA-N 1 2 241.360 1.173 20 0 BDADLO OC1(C2CC[NH+](Cc3cnsn3)CC2)CC1 ZINC000847007509 588301234 /nfs/dbraw/zinc/30/12/34/588301234.db2.gz GEECPOLWOQUKNY-UHFFFAOYSA-N 1 2 239.344 1.275 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1cnsn1)C2 ZINC000847012115 588301622 /nfs/dbraw/zinc/30/16/22/588301622.db2.gz GWQVOKHFRILCFC-QMMMGPOBSA-N 1 2 231.271 1.769 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1cnsn1)C2 ZINC000847012115 588301623 /nfs/dbraw/zinc/30/16/23/588301623.db2.gz GWQVOKHFRILCFC-QMMMGPOBSA-N 1 2 231.271 1.769 20 0 BDADLO CC[N@H+](CCSC)Cc1cnsn1 ZINC000847014328 588301644 /nfs/dbraw/zinc/30/16/44/588301644.db2.gz WFDSYIIWXWQGPY-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CC[N@@H+](CCSC)Cc1cnsn1 ZINC000847014328 588301645 /nfs/dbraw/zinc/30/16/45/588301645.db2.gz WFDSYIIWXWQGPY-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CCONC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000847311873 588310547 /nfs/dbraw/zinc/31/05/47/588310547.db2.gz CRDPBVWOBOQJBA-UHFFFAOYSA-N 1 2 219.244 1.324 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1(C)CC=CC1 ZINC000847373458 588311810 /nfs/dbraw/zinc/31/18/10/588311810.db2.gz JQUFPRHDOFPSTQ-UHFFFAOYSA-N 1 2 234.303 1.328 20 0 BDADLO Cc1ccccc1OCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000106934361 588316899 /nfs/dbraw/zinc/31/68/99/588316899.db2.gz CIACZCXQKGCHHQ-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccccc1OCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000106934361 588316901 /nfs/dbraw/zinc/31/69/01/588316901.db2.gz CIACZCXQKGCHHQ-LBPRGKRZSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC=CO1 ZINC000847843326 588336358 /nfs/dbraw/zinc/33/63/58/588336358.db2.gz AZRSNINUXLTCLB-PWSUYJOCSA-N 1 2 249.314 1.397 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC=CO1 ZINC000847843326 588336359 /nfs/dbraw/zinc/33/63/59/588336359.db2.gz AZRSNINUXLTCLB-PWSUYJOCSA-N 1 2 249.314 1.397 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000847844770 588336755 /nfs/dbraw/zinc/33/67/55/588336755.db2.gz BEPLOJCTQVQEJY-OUAUKWLOSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000847844770 588336756 /nfs/dbraw/zinc/33/67/56/588336756.db2.gz BEPLOJCTQVQEJY-OUAUKWLOSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](NC(=O)C1=CCCCO1)c1[nH]cc[nH+]1 ZINC000848387557 588375625 /nfs/dbraw/zinc/37/56/25/588375625.db2.gz WOPIBHXBTYTSPD-MRVPVSSYSA-N 1 2 221.260 1.281 20 0 BDADLO C[C@@H](NC(=O)C1(F)CCCC1)c1[nH]cc[nH+]1 ZINC000848387628 588376078 /nfs/dbraw/zinc/37/60/78/588376078.db2.gz ZTGXXWLVEKZHQN-MRVPVSSYSA-N 1 2 225.267 1.869 20 0 BDADLO Cc1nc(CO[NH+]=C(N)Cc2cccnc2)co1 ZINC000848510595 588388274 /nfs/dbraw/zinc/38/82/74/588388274.db2.gz UMSXGBRCDZVMEK-UHFFFAOYSA-N 1 2 246.270 1.619 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2CCCn3ccnc32)n1 ZINC000848535767 588393818 /nfs/dbraw/zinc/39/38/18/588393818.db2.gz GNXXKSJVKABEOD-LLVKDONJSA-N 1 2 231.303 1.241 20 0 BDADLO C[C@@H]1CC[C@@H]1[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000848557559 588397132 /nfs/dbraw/zinc/39/71/32/588397132.db2.gz KLQRRTINTVHMNK-UTLUCORTSA-N 1 2 236.319 1.544 20 0 BDADLO COc1c(C)[nH+]cnc1NCCc1ccnn1C ZINC000848679554 588405039 /nfs/dbraw/zinc/40/50/39/588405039.db2.gz SEMKGCHGJCDSMU-UHFFFAOYSA-N 1 2 247.302 1.182 20 0 BDADLO Cc1cc(N2Cc3ccncc3C2)nc[nH+]1 ZINC000848726987 588408865 /nfs/dbraw/zinc/40/88/65/588408865.db2.gz MOTDTVPQBZYOHU-UHFFFAOYSA-N 1 2 212.256 1.700 20 0 BDADLO Cc1nc(N2Cc3cncnc3C2)c(C)c(C)[nH+]1 ZINC000848725157 588408950 /nfs/dbraw/zinc/40/89/50/588408950.db2.gz JOGZVPIAVHCWNG-UHFFFAOYSA-N 1 2 241.298 1.712 20 0 BDADLO Cn1c(C[NH+]2CCC(CO)CC2)cnc1Cl ZINC000848881458 588416016 /nfs/dbraw/zinc/41/60/16/588416016.db2.gz PVHUJYFVRUGXPE-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1c(C[NH+]2CCC(O)CC2)cnc1Cl ZINC000848879811 588416207 /nfs/dbraw/zinc/41/62/07/588416207.db2.gz DCOJGGJWFGJFEG-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO OCCCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000849146377 588455564 /nfs/dbraw/zinc/45/55/64/588455564.db2.gz QTQLCDZWFUKQQE-UHFFFAOYSA-N 1 2 249.318 1.076 20 0 BDADLO CCN(C(=O)N[C@H]1CCn2cc[nH+]c21)C(C)C ZINC000849394840 588476719 /nfs/dbraw/zinc/47/67/19/588476719.db2.gz GZLJEKPCOZPBQO-JTQLQIEISA-N 1 2 236.319 1.768 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1COC(C)(C)C1 ZINC000849732783 588490975 /nfs/dbraw/zinc/49/09/75/588490975.db2.gz MFPAITSIOCZCHK-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1COC(C)(C)C1 ZINC000849732783 588490976 /nfs/dbraw/zinc/49/09/76/588490976.db2.gz MFPAITSIOCZCHK-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1COC(C)(C)C1 ZINC000849732780 588491035 /nfs/dbraw/zinc/49/10/35/588491035.db2.gz MFPAITSIOCZCHK-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1COC(C)(C)C1 ZINC000849732780 588491037 /nfs/dbraw/zinc/49/10/37/588491037.db2.gz MFPAITSIOCZCHK-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CO[C@H](C(=O)OCCn1cc[nH+]c1)C1CCC1 ZINC000850177471 588524151 /nfs/dbraw/zinc/52/41/51/588524151.db2.gz WFYVNZPCCRNTLM-NSHDSACASA-N 1 2 238.287 1.241 20 0 BDADLO O=C(CCCF)OCCCn1cc[nH+]c1 ZINC000850195288 588526827 /nfs/dbraw/zinc/52/68/27/588526827.db2.gz QVDAZWCANNJVFK-UHFFFAOYSA-N 1 2 214.240 1.566 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850264256 588533562 /nfs/dbraw/zinc/53/35/62/588533562.db2.gz VPLGTSHTPBAQLA-GDNZZTSVSA-N 1 2 234.299 1.863 20 0 BDADLO CCCn1nccc1C[NH2+]C(CF)CF ZINC000850312860 588535878 /nfs/dbraw/zinc/53/58/78/588535878.db2.gz GLFMFLLPZWEJMC-UHFFFAOYSA-N 1 2 217.263 1.690 20 0 BDADLO CCc1nc(CNCc2[nH]c(C)c(C)[nH+]2)co1 ZINC000850317267 588536382 /nfs/dbraw/zinc/53/63/82/588536382.db2.gz VMWDBPGAAONPAY-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CCc1nc(CNCc2c[nH+]c3n2CCC3)co1 ZINC000850316427 588536504 /nfs/dbraw/zinc/53/65/04/588536504.db2.gz KHJFCADFXLCHPK-UHFFFAOYSA-N 1 2 246.314 1.670 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)n1 ZINC000850375992 588542099 /nfs/dbraw/zinc/54/20/99/588542099.db2.gz VIJKTSZWXPUTQG-CHWSQXEVSA-N 1 2 243.310 1.986 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000851732125 588619711 /nfs/dbraw/zinc/61/97/11/588619711.db2.gz JVXCDJXVQBMINJ-SECBINFHSA-N 1 2 245.273 1.828 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000851732125 588619712 /nfs/dbraw/zinc/61/97/12/588619712.db2.gz JVXCDJXVQBMINJ-SECBINFHSA-N 1 2 245.273 1.828 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@H](O)c1ccccn1 ZINC000851734757 588620634 /nfs/dbraw/zinc/62/06/34/588620634.db2.gz MVDXYOJXAUVJSE-LBPRGKRZSA-N 1 2 249.339 1.704 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@H](O)c1ccccn1 ZINC000851734757 588620635 /nfs/dbraw/zinc/62/06/35/588620635.db2.gz MVDXYOJXAUVJSE-LBPRGKRZSA-N 1 2 249.339 1.704 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cccc(F)n1 ZINC000851745283 588621797 /nfs/dbraw/zinc/62/17/97/588621797.db2.gz YODSKCBINAOFMO-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(F)n1 ZINC000851745283 588621798 /nfs/dbraw/zinc/62/17/98/588621798.db2.gz YODSKCBINAOFMO-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO Fc1cccc(CN2CCn3cc[nH+]c3C2)n1 ZINC000851746406 588621998 /nfs/dbraw/zinc/62/19/98/588621998.db2.gz TZDGZVNRXVQIHX-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2cnon2)[C@H]1C ZINC000851777213 588626745 /nfs/dbraw/zinc/62/67/45/588626745.db2.gz LGJBVVWSMNYBDM-YUMQZZPRSA-N 1 2 213.306 1.395 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2cnon2)[C@H]1C ZINC000851777213 588626746 /nfs/dbraw/zinc/62/67/46/588626746.db2.gz LGJBVVWSMNYBDM-YUMQZZPRSA-N 1 2 213.306 1.395 20 0 BDADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CC=C(Cl)Cl ZINC000851796577 588629689 /nfs/dbraw/zinc/62/96/89/588629689.db2.gz HRQAHQIJPLAJFI-SFYZADRCSA-N 1 2 249.141 1.658 20 0 BDADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CC=C(Cl)Cl ZINC000851796577 588629690 /nfs/dbraw/zinc/62/96/90/588629690.db2.gz HRQAHQIJPLAJFI-SFYZADRCSA-N 1 2 249.141 1.658 20 0 BDADLO FC(F)OCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000851806625 588631317 /nfs/dbraw/zinc/63/13/17/588631317.db2.gz SUVCEPKNLGKJHK-JTQLQIEISA-N 1 2 247.241 1.892 20 0 BDADLO FC(F)OCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000851806625 588631318 /nfs/dbraw/zinc/63/13/18/588631318.db2.gz SUVCEPKNLGKJHK-JTQLQIEISA-N 1 2 247.241 1.892 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CCC(=O)O1 ZINC000851817379 588632918 /nfs/dbraw/zinc/63/29/18/588632918.db2.gz DMXYVSQKRVYCGN-QMMMGPOBSA-N 1 2 221.247 1.668 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CCC(=O)O1 ZINC000851817379 588632919 /nfs/dbraw/zinc/63/29/19/588632919.db2.gz DMXYVSQKRVYCGN-QMMMGPOBSA-N 1 2 221.247 1.668 20 0 BDADLO Cc1nc(C[N@@H+]2CCC3(C2)OCCO3)c(C)o1 ZINC000851839491 588634158 /nfs/dbraw/zinc/63/41/58/588634158.db2.gz USUFLEVNVJRZMC-UHFFFAOYSA-N 1 2 238.287 1.240 20 0 BDADLO Cc1nc(C[N@H+]2CCC3(C2)OCCO3)c(C)o1 ZINC000851839491 588634159 /nfs/dbraw/zinc/63/41/59/588634159.db2.gz USUFLEVNVJRZMC-UHFFFAOYSA-N 1 2 238.287 1.240 20 0 BDADLO C[C@@H](NC(=O)OCCCF)c1[nH+]ccn1C ZINC000851855974 588635319 /nfs/dbraw/zinc/63/53/19/588635319.db2.gz ZNUJSJHPZQBYEE-MRVPVSSYSA-N 1 2 229.255 1.567 20 0 BDADLO Cn1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000851875207 588638087 /nfs/dbraw/zinc/63/80/87/588638087.db2.gz MQSWWEBQZRBCLE-MRVPVSSYSA-N 1 2 233.237 1.804 20 0 BDADLO Cn1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000851875207 588638088 /nfs/dbraw/zinc/63/80/88/588638088.db2.gz MQSWWEBQZRBCLE-MRVPVSSYSA-N 1 2 233.237 1.804 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000851879781 588638798 /nfs/dbraw/zinc/63/87/98/588638798.db2.gz MTQVJQBXWMNJGZ-YUMQZZPRSA-N 1 2 219.231 1.422 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000851879781 588638799 /nfs/dbraw/zinc/63/87/99/588638799.db2.gz MTQVJQBXWMNJGZ-YUMQZZPRSA-N 1 2 219.231 1.422 20 0 BDADLO c1nonc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000851885679 588640239 /nfs/dbraw/zinc/64/02/39/588640239.db2.gz KJJNQGSGENTMHR-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO CC1(C)OC[C@H](C[N@@H+]2CCC=C(F)C2)O1 ZINC000851889560 588641228 /nfs/dbraw/zinc/64/12/28/588641228.db2.gz BKVLIPVVZMXYTP-JTQLQIEISA-N 1 2 215.268 1.697 20 0 BDADLO CC1(C)OC[C@H](C[N@H+]2CCC=C(F)C2)O1 ZINC000851889560 588641229 /nfs/dbraw/zinc/64/12/29/588641229.db2.gz BKVLIPVVZMXYTP-JTQLQIEISA-N 1 2 215.268 1.697 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2ccncc2)n1 ZINC000851891982 588641271 /nfs/dbraw/zinc/64/12/71/588641271.db2.gz HCENVBZBVSYBGT-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO COc1ccc(C2([NH2+]Cc3cnon3)CC2)cc1 ZINC000851902162 588641848 /nfs/dbraw/zinc/64/18/48/588641848.db2.gz KWYQUUKEGCVYLA-UHFFFAOYSA-N 1 2 245.282 1.857 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(F)n1 ZINC000851923852 588643850 /nfs/dbraw/zinc/64/38/50/588643850.db2.gz VOIIAPNKTDDILI-XXFAHNHDSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(F)n1 ZINC000851923852 588643851 /nfs/dbraw/zinc/64/38/51/588643851.db2.gz VOIIAPNKTDDILI-XXFAHNHDSA-N 1 2 244.335 1.420 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1cnon1 ZINC000851921478 588644036 /nfs/dbraw/zinc/64/40/36/588644036.db2.gz SBSFZOLQBQVKPC-VIFPVBQESA-N 1 2 218.260 1.624 20 0 BDADLO CC[C@H]([NH2+]Cc1cnon1)c1c(C)nn(C)c1C ZINC000851926882 588644599 /nfs/dbraw/zinc/64/45/99/588644599.db2.gz XLQPMLGVXDDJSE-NSHDSACASA-N 1 2 249.318 1.661 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2CCOC(F)F ZINC000851956508 588647859 /nfs/dbraw/zinc/64/78/59/588647859.db2.gz GQEIBQNLJBKDNG-SNVBAGLBSA-N 1 2 235.230 1.007 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2CCOC(F)F ZINC000851956508 588647860 /nfs/dbraw/zinc/64/78/60/588647860.db2.gz GQEIBQNLJBKDNG-SNVBAGLBSA-N 1 2 235.230 1.007 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1CCOC(F)F ZINC000852094360 588661151 /nfs/dbraw/zinc/66/11/51/588661151.db2.gz YQJHIGNFRHCAEM-VIFPVBQESA-N 1 2 222.279 1.252 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1CCOC(F)F ZINC000852094360 588661152 /nfs/dbraw/zinc/66/11/52/588661152.db2.gz YQJHIGNFRHCAEM-VIFPVBQESA-N 1 2 222.279 1.252 20 0 BDADLO CC(=O)C1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000852126249 588665701 /nfs/dbraw/zinc/66/57/01/588665701.db2.gz VVGKTNJZGIIHLD-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO C[N@H+](CCCCCCCO)Cc1n[nH]c(=O)o1 ZINC000852187753 588670845 /nfs/dbraw/zinc/67/08/45/588670845.db2.gz CHOVZBQWPXSFID-UHFFFAOYSA-N 1 2 243.307 1.150 20 0 BDADLO C[N@@H+](CCCCCCCO)Cc1n[nH]c(=O)o1 ZINC000852187753 588670846 /nfs/dbraw/zinc/67/08/46/588670846.db2.gz CHOVZBQWPXSFID-UHFFFAOYSA-N 1 2 243.307 1.150 20 0 BDADLO FC1(F)C[C@@]12CCC[N@H+](Cc1cnon1)C2 ZINC000852213250 588673046 /nfs/dbraw/zinc/67/30/46/588673046.db2.gz JTVMVTVJNIVCSP-SECBINFHSA-N 1 2 229.230 1.691 20 0 BDADLO FC1(F)C[C@@]12CCC[N@@H+](Cc1cnon1)C2 ZINC000852213250 588673047 /nfs/dbraw/zinc/67/30/47/588673047.db2.gz JTVMVTVJNIVCSP-SECBINFHSA-N 1 2 229.230 1.691 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000852215871 588673313 /nfs/dbraw/zinc/67/33/13/588673313.db2.gz PPMNKWXQPHCKGV-LBPRGKRZSA-N 1 2 237.303 1.603 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000852215871 588673314 /nfs/dbraw/zinc/67/33/14/588673314.db2.gz PPMNKWXQPHCKGV-LBPRGKRZSA-N 1 2 237.303 1.603 20 0 BDADLO Cc1noc(C[N@H+](C)CCOC(F)F)n1 ZINC000852218479 588673538 /nfs/dbraw/zinc/67/35/38/588673538.db2.gz IVLJTQFCIBGTRR-UHFFFAOYSA-N 1 2 221.207 1.049 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOC(F)F)n1 ZINC000852218479 588673539 /nfs/dbraw/zinc/67/35/39/588673539.db2.gz IVLJTQFCIBGTRR-UHFFFAOYSA-N 1 2 221.207 1.049 20 0 BDADLO C[N@H+](CCOC(F)F)Cc1cnc[nH]1 ZINC000852287814 588676077 /nfs/dbraw/zinc/67/60/77/588676077.db2.gz GPKUWHVSGGFZNR-UHFFFAOYSA-N 1 2 205.208 1.081 20 0 BDADLO C[N@@H+](CCOC(F)F)Cc1cnc[nH]1 ZINC000852287814 588676078 /nfs/dbraw/zinc/67/60/78/588676078.db2.gz GPKUWHVSGGFZNR-UHFFFAOYSA-N 1 2 205.208 1.081 20 0 BDADLO C[N@H+](CCOC(F)F)Cc1c[nH]cn1 ZINC000852287814 588676079 /nfs/dbraw/zinc/67/60/79/588676079.db2.gz GPKUWHVSGGFZNR-UHFFFAOYSA-N 1 2 205.208 1.081 20 0 BDADLO C[N@@H+](CCOC(F)F)Cc1c[nH]cn1 ZINC000852287814 588676080 /nfs/dbraw/zinc/67/60/80/588676080.db2.gz GPKUWHVSGGFZNR-UHFFFAOYSA-N 1 2 205.208 1.081 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000852320431 588678433 /nfs/dbraw/zinc/67/84/33/588678433.db2.gz KQDJODHVZPLWPH-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000852345967 588679013 /nfs/dbraw/zinc/67/90/13/588679013.db2.gz QPEDLUWNKDCYDJ-VHSXEESVSA-N 1 2 246.314 1.285 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000852345967 588679014 /nfs/dbraw/zinc/67/90/14/588679014.db2.gz QPEDLUWNKDCYDJ-VHSXEESVSA-N 1 2 246.314 1.285 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](Cc1cnn(C)n1)CC2 ZINC000852404813 588680937 /nfs/dbraw/zinc/68/09/37/588680937.db2.gz VDMKMCBBORVYJI-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnn(C)n1)CC2 ZINC000852404813 588680938 /nfs/dbraw/zinc/68/09/38/588680938.db2.gz VDMKMCBBORVYJI-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CCn1cc[nH+]c1CN(CCF)CCOC ZINC000852482365 588684462 /nfs/dbraw/zinc/68/44/62/588684462.db2.gz GLOFNFYQROFFBV-UHFFFAOYSA-N 1 2 229.299 1.321 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCF)CCOC ZINC000852483412 588684819 /nfs/dbraw/zinc/68/48/19/588684819.db2.gz IJDOTHDDYOEPOU-WDEREUQCSA-N 1 2 248.342 1.208 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CCF)CCOC ZINC000852483412 588684820 /nfs/dbraw/zinc/68/48/20/588684820.db2.gz IJDOTHDDYOEPOU-WDEREUQCSA-N 1 2 248.342 1.208 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000852519087 588687709 /nfs/dbraw/zinc/68/77/09/588687709.db2.gz VCHJUYNXMNTLKD-UHFFFAOYSA-N 1 2 241.331 1.464 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000852519087 588687710 /nfs/dbraw/zinc/68/77/10/588687710.db2.gz VCHJUYNXMNTLKD-UHFFFAOYSA-N 1 2 241.331 1.464 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@H+](CC(F)(F)C(F)F)C2 ZINC000852534551 588688607 /nfs/dbraw/zinc/68/86/07/588688607.db2.gz MSGRAUYYKOUSKL-IONNQARKSA-N 1 2 241.228 1.855 20 0 BDADLO C[C@@]12COC[C@@H]1C[N@@H+](CC(F)(F)C(F)F)C2 ZINC000852534551 588688608 /nfs/dbraw/zinc/68/86/08/588688608.db2.gz MSGRAUYYKOUSKL-IONNQARKSA-N 1 2 241.228 1.855 20 0 BDADLO C[C@]12COC[C@@H]1C[N@H+](CC(F)(F)C(F)F)C2 ZINC000852534550 588688808 /nfs/dbraw/zinc/68/88/08/588688808.db2.gz MSGRAUYYKOUSKL-CBAPKCEASA-N 1 2 241.228 1.855 20 0 BDADLO C[C@]12COC[C@@H]1C[N@@H+](CC(F)(F)C(F)F)C2 ZINC000852534550 588688809 /nfs/dbraw/zinc/68/88/09/588688809.db2.gz MSGRAUYYKOUSKL-CBAPKCEASA-N 1 2 241.228 1.855 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000852698481 588696697 /nfs/dbraw/zinc/69/66/97/588696697.db2.gz RGELAFZXJKDXTN-UHFFFAOYSA-N 1 2 247.342 1.840 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000852698481 588696698 /nfs/dbraw/zinc/69/66/98/588696698.db2.gz RGELAFZXJKDXTN-UHFFFAOYSA-N 1 2 247.342 1.840 20 0 BDADLO CCO[C@@H](C(=O)NCc1c[nH+]cn1C)C(C)C ZINC000861752232 589176337 /nfs/dbraw/zinc/17/63/37/589176337.db2.gz CNRPZMKSAAOLJP-LLVKDONJSA-N 1 2 239.319 1.097 20 0 BDADLO CC=CC=CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861758170 589176532 /nfs/dbraw/zinc/17/65/32/589176532.db2.gz CRWPYGIFFQEDEC-MQQKCMAXSA-N 1 2 217.272 1.427 20 0 BDADLO CC=CC=CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861758170 589176534 /nfs/dbraw/zinc/17/65/34/589176534.db2.gz CRWPYGIFFQEDEC-MQQKCMAXSA-N 1 2 217.272 1.427 20 0 BDADLO C/C=C(/C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760374 589177301 /nfs/dbraw/zinc/17/73/01/589177301.db2.gz CABZQGPBUJLHTO-BAQGIRSFSA-N 1 2 205.261 1.261 20 0 BDADLO C/C=C(/C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760374 589177302 /nfs/dbraw/zinc/17/73/02/589177302.db2.gz CABZQGPBUJLHTO-BAQGIRSFSA-N 1 2 205.261 1.261 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000861852089 589180345 /nfs/dbraw/zinc/18/03/45/589180345.db2.gz CITKBPQONCMQIK-JTQLQIEISA-N 1 2 231.255 1.659 20 0 BDADLO Cc1c(F)nccc1C[N@@H+](CC(N)=O)C(C)C ZINC000862211676 589194643 /nfs/dbraw/zinc/19/46/43/589194643.db2.gz AUHFZPJHHNLKPC-UHFFFAOYSA-N 1 2 239.294 1.225 20 0 BDADLO Cc1c(F)nccc1C[N@H+](CC(N)=O)C(C)C ZINC000862211676 589194645 /nfs/dbraw/zinc/19/46/45/589194645.db2.gz AUHFZPJHHNLKPC-UHFFFAOYSA-N 1 2 239.294 1.225 20 0 BDADLO Cc1c(F)nccc1C[NH2+]Cc1ccn(C)n1 ZINC000862290827 589199976 /nfs/dbraw/zinc/19/99/76/589199976.db2.gz BRUMZPKKSRNCSU-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cccc(F)n2)o1 ZINC000862290761 589200114 /nfs/dbraw/zinc/20/01/14/589200114.db2.gz FOCUQACLSYOQGS-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]Cc1cccc2n[nH]cc21 ZINC000862339342 589202012 /nfs/dbraw/zinc/20/20/12/589202012.db2.gz PUMIGEZRXOQMJE-SECBINFHSA-N 1 2 247.298 1.604 20 0 BDADLO COCC[N@H+](CCF)Cc1ccnc(F)c1C ZINC000862411229 589210584 /nfs/dbraw/zinc/21/05/84/589210584.db2.gz BTPCVHIVDYMMKE-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccnc(F)c1C ZINC000862411229 589210587 /nfs/dbraw/zinc/21/05/87/589210587.db2.gz BTPCVHIVDYMMKE-UHFFFAOYSA-N 1 2 244.285 1.947 20 0 BDADLO CCC(=CC(=O)NC[C@H]1COCC[N@@H+]1C)CC ZINC000862971817 589249757 /nfs/dbraw/zinc/24/97/57/589249757.db2.gz WXDOIJWFTLBETJ-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO CCC(=CC(=O)NC[C@H]1COCC[N@H+]1C)CC ZINC000862971817 589249758 /nfs/dbraw/zinc/24/97/58/589249758.db2.gz WXDOIJWFTLBETJ-LBPRGKRZSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1C[C@H]1C ZINC000863455431 589288463 /nfs/dbraw/zinc/28/84/63/589288463.db2.gz HNNBTZJVHXNZAC-BDAKNGLRSA-N 1 2 200.282 1.566 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCOC12CCCC2 ZINC000890405391 589294322 /nfs/dbraw/zinc/29/43/22/589294322.db2.gz GSELCVUJSOYBGR-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCOC12CCCC2 ZINC000890405391 589294324 /nfs/dbraw/zinc/29/43/24/589294324.db2.gz GSELCVUJSOYBGR-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO CC[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000119551390 589303082 /nfs/dbraw/zinc/30/30/82/589303082.db2.gz KCKRQPQYRWNHDU-SECBINFHSA-N 1 2 226.349 1.640 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000119551390 589303083 /nfs/dbraw/zinc/30/30/83/589303083.db2.gz KCKRQPQYRWNHDU-SECBINFHSA-N 1 2 226.349 1.640 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(CCF)CC1 ZINC000864061572 589337066 /nfs/dbraw/zinc/33/70/66/589337066.db2.gz HGFBZWJYBITJHZ-UHFFFAOYSA-N 1 2 239.294 1.550 20 0 BDADLO CC[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000864084350 589341776 /nfs/dbraw/zinc/34/17/76/589341776.db2.gz JHLXMWOROSPKPM-GFCCVEGCSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@@](C)(NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000864084350 589341777 /nfs/dbraw/zinc/34/17/77/589341777.db2.gz JHLXMWOROSPKPM-GFCCVEGCSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C1(CO)CC1 ZINC000864091479 589343941 /nfs/dbraw/zinc/34/39/41/589343941.db2.gz OOLBAGQCZPWEMD-VHSXEESVSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2C[C@H](O)C23CCC3)[nH+]1 ZINC000864093389 589344478 /nfs/dbraw/zinc/34/44/78/589344478.db2.gz PDVZOOXYLWIXIY-DLOVCJGASA-N 1 2 248.326 1.850 20 0 BDADLO CN(C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)C1CC1 ZINC000864837290 589397354 /nfs/dbraw/zinc/39/73/54/589397354.db2.gz VTKCASIKCDVKHN-SECBINFHSA-N 1 2 246.301 1.584 20 0 BDADLO CN(C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)C1CC1 ZINC000864837290 589397356 /nfs/dbraw/zinc/39/73/56/589397356.db2.gz VTKCASIKCDVKHN-SECBINFHSA-N 1 2 246.301 1.584 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864866296 589398718 /nfs/dbraw/zinc/39/87/18/589398718.db2.gz AORULAVGCHTBLB-WCBMZHEXSA-N 1 2 225.292 1.090 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@]12C[C@H]1CCCC2 ZINC000864868232 589398851 /nfs/dbraw/zinc/39/88/51/589398851.db2.gz RZJPQKRWFBVQOR-DGCLKSJQSA-N 1 2 233.315 1.580 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000864883374 589399606 /nfs/dbraw/zinc/39/96/06/589399606.db2.gz AIMPAVPESUKQFU-DYEKYZERSA-N 1 2 247.342 1.968 20 0 BDADLO CCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864950692 589402201 /nfs/dbraw/zinc/40/22/01/589402201.db2.gz RSDAQBONFKSXHI-NSHDSACASA-N 1 2 237.303 1.092 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000865092420 589408740 /nfs/dbraw/zinc/40/87/40/589408740.db2.gz PZSRWSRSFJVXMT-BJIOATRMSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(\F)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000865092420 589408741 /nfs/dbraw/zinc/40/87/41/589408741.db2.gz PZSRWSRSFJVXMT-BJIOATRMSA-N 1 2 244.310 1.087 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000865157707 589412027 /nfs/dbraw/zinc/41/20/27/589412027.db2.gz BTYPRYMWKISDCU-VPOLOUISSA-N 1 2 233.315 1.328 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000865172285 589412979 /nfs/dbraw/zinc/41/29/79/589412979.db2.gz TXFWCBDTKIDCAG-CGGZTBSLSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(/F)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000865172285 589412980 /nfs/dbraw/zinc/41/29/80/589412980.db2.gz TXFWCBDTKIDCAG-CGGZTBSLSA-N 1 2 244.310 1.087 20 0 BDADLO COC(=O)c1cc(C(=O)Cn2cc[nH+]c2)c(C)[nH]1 ZINC000865361257 589425617 /nfs/dbraw/zinc/42/56/17/589425617.db2.gz OTHUKAPRRJHMSI-UHFFFAOYSA-N 1 2 247.254 1.189 20 0 BDADLO OCCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865398202 589432132 /nfs/dbraw/zinc/43/21/32/589432132.db2.gz STZONYVXWGXNJL-UHFFFAOYSA-N 1 2 226.667 1.406 20 0 BDADLO CC(C)Cc1cc(NCCOCCO)nc[nH+]1 ZINC000865404915 589433910 /nfs/dbraw/zinc/43/39/10/589433910.db2.gz WPRKLOADZFOQKP-UHFFFAOYSA-N 1 2 239.319 1.096 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C3CC3)cn2)on1 ZINC000865451170 589436739 /nfs/dbraw/zinc/43/67/39/589436739.db2.gz ZVUFJKGPCDNIPE-UHFFFAOYSA-N 1 2 232.287 1.804 20 0 BDADLO Cc1cc(CNCc2cn(C3CC3)c[nH+]2)on1 ZINC000865451170 589436740 /nfs/dbraw/zinc/43/67/40/589436740.db2.gz ZVUFJKGPCDNIPE-UHFFFAOYSA-N 1 2 232.287 1.804 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1cccc(F)n1 ZINC000865509520 589442240 /nfs/dbraw/zinc/44/22/40/589442240.db2.gz RILZYNFDTSNXOA-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO Cc1ccc(CCNc2ccc(F)nn2)c[nH+]1 ZINC000865533235 589443780 /nfs/dbraw/zinc/44/37/80/589443780.db2.gz BNZYJMWLANXBLT-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO CCc1nnc(CNCc2cn(C3CC3)c[nH+]2)[nH]1 ZINC000865581047 589448553 /nfs/dbraw/zinc/44/85/53/589448553.db2.gz IVMKXKUXODIZCN-UHFFFAOYSA-N 1 2 246.318 1.188 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccnn2CC)nn1 ZINC000865637240 589453491 /nfs/dbraw/zinc/45/34/91/589453491.db2.gz YEWQZBHNARIDRE-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccnc(F)c2)c1 ZINC000865722563 589458188 /nfs/dbraw/zinc/45/81/88/589458188.db2.gz KSFDKLZLIHPVMX-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnc(F)c2)nn1C ZINC000865723115 589458532 /nfs/dbraw/zinc/45/85/32/589458532.db2.gz VFXSVSOCOVEHBV-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@H](O)c1ccc(N2CCC3(CCO3)CC2)[nH+]c1 ZINC000865761048 589461256 /nfs/dbraw/zinc/46/12/56/589461256.db2.gz RKVUOBNYHGKIRJ-NSHDSACASA-N 1 2 248.326 1.894 20 0 BDADLO Cc1nc(N2CCC[C@@](C)(F)C2)nc(N)[nH+]1 ZINC000865840026 589464285 /nfs/dbraw/zinc/46/42/85/589464285.db2.gz BLYXBHHJPYXLFF-SNVBAGLBSA-N 1 2 225.271 1.091 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@](C)(F)C2)[nH+]1 ZINC000865840026 589464286 /nfs/dbraw/zinc/46/42/86/589464286.db2.gz BLYXBHHJPYXLFF-SNVBAGLBSA-N 1 2 225.271 1.091 20 0 BDADLO CC(C)Cc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000865862750 589465829 /nfs/dbraw/zinc/46/58/29/589465829.db2.gz RLTLQMLOIVNKSG-PHIMTYICSA-N 1 2 221.304 1.610 20 0 BDADLO C[C@@H](O)c1ccc(NCC2(CC(N)=O)CC2)[nH+]c1 ZINC000865883039 589467263 /nfs/dbraw/zinc/46/72/63/589467263.db2.gz FSDYBYUGBXABDU-SECBINFHSA-N 1 2 249.314 1.202 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC3(COC3)C2)[nH+]c1 ZINC000865952818 589470013 /nfs/dbraw/zinc/47/00/13/589470013.db2.gz RJDYAYFXMRWQTM-SNVBAGLBSA-N 1 2 234.299 1.362 20 0 BDADLO CCn1nccc1CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865958189 589470179 /nfs/dbraw/zinc/47/01/79/589470179.db2.gz AUYNOFOZTMNBDU-JTQLQIEISA-N 1 2 246.314 1.963 20 0 BDADLO CC(C)Cc1cc(NC[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000865971078 589470982 /nfs/dbraw/zinc/47/09/82/589470982.db2.gz GVUPRZYBHRQZOE-KLPPZKSPSA-N 1 2 235.331 1.858 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H]1C ZINC000866054796 589474101 /nfs/dbraw/zinc/47/41/01/589474101.db2.gz KADHVXPDPYYCOF-YWVKMMECSA-N 1 2 237.303 1.090 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccnn2C)cc[nH+]1 ZINC000866251515 589482865 /nfs/dbraw/zinc/48/28/65/589482865.db2.gz NGHYPLMKKWGYIR-QMMMGPOBSA-N 1 2 217.276 1.692 20 0 BDADLO CC[C@H](NC(=O)/C=C/COC)c1[nH]cc[nH+]1 ZINC000867457376 589520868 /nfs/dbraw/zinc/52/08/68/589520868.db2.gz GKNGQHOGFDVUIF-MOVJSRMASA-N 1 2 223.276 1.180 20 0 BDADLO CC[C@H](NC(=O)C=CCOC)c1[nH]cc[nH+]1 ZINC000867457376 589520869 /nfs/dbraw/zinc/52/08/69/589520869.db2.gz GKNGQHOGFDVUIF-MOVJSRMASA-N 1 2 223.276 1.180 20 0 BDADLO C[C@@H]1CC2(CCC2)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867818524 589535401 /nfs/dbraw/zinc/53/54/01/589535401.db2.gz MERYWSLLHWMRKJ-MWLCHTKSSA-N 1 2 249.314 1.234 20 0 BDADLO CC1CN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000867832526 589536248 /nfs/dbraw/zinc/53/62/48/589536248.db2.gz LIAIHFWRNSQNRK-JTQLQIEISA-N 1 2 246.301 1.442 20 0 BDADLO CC1CN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000867832526 589536249 /nfs/dbraw/zinc/53/62/49/589536249.db2.gz LIAIHFWRNSQNRK-JTQLQIEISA-N 1 2 246.301 1.442 20 0 BDADLO CCN(CC1CCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867948275 589540932 /nfs/dbraw/zinc/54/09/32/589540932.db2.gz RNNHGJMDGZLSDO-LLVKDONJSA-N 1 2 237.303 1.092 20 0 BDADLO CC/C=C(\F)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000868426687 589557591 /nfs/dbraw/zinc/55/75/91/589557591.db2.gz ITSCBRQEXFZPOE-BAQGIRSFSA-N 1 2 223.251 1.558 20 0 BDADLO CC/C=C(\F)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000868426687 589557592 /nfs/dbraw/zinc/55/75/92/589557592.db2.gz ITSCBRQEXFZPOE-BAQGIRSFSA-N 1 2 223.251 1.558 20 0 BDADLO CC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H]1C1CC1 ZINC000868443069 589558722 /nfs/dbraw/zinc/55/87/22/589558722.db2.gz SKFSVTBRSDADCM-MNOVXSKESA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3cc[nH+]c32)[C@H](C)O1 ZINC000868621505 589568788 /nfs/dbraw/zinc/56/87/88/589568788.db2.gz WGPLIWPNBSSVGK-RCWTZXSCSA-N 1 2 249.314 1.258 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000868698073 589573824 /nfs/dbraw/zinc/57/38/24/589573824.db2.gz DXWFELRPNGFRQI-PFZOXLDVSA-N 1 2 245.326 1.216 20 0 BDADLO CCCCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000869410798 589604293 /nfs/dbraw/zinc/60/42/93/589604293.db2.gz NXBLALDVXISBDG-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCCCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000869410798 589604294 /nfs/dbraw/zinc/60/42/94/589604294.db2.gz NXBLALDVXISBDG-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC12CC2 ZINC000869749908 589626911 /nfs/dbraw/zinc/62/69/11/589626911.db2.gz GRHVYTTXJMQBCB-SECBINFHSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(Cc1cn2cc(F)ccc2[nH+]1)OCC1CC1 ZINC000869972824 589640386 /nfs/dbraw/zinc/64/03/86/589640386.db2.gz FDXRMEQBLKDPEZ-UHFFFAOYSA-N 1 2 248.257 1.969 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1(C(F)F)CCC1 ZINC000870220436 589650141 /nfs/dbraw/zinc/65/01/41/589650141.db2.gz WUWUNEANGWJSHG-UHFFFAOYSA-N 1 2 244.241 1.899 20 0 BDADLO C[C@H](CC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000871091589 589723441 /nfs/dbraw/zinc/72/34/41/589723441.db2.gz ZOIMTFCHMPJLEG-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1nocc1C ZINC000871734428 589801479 /nfs/dbraw/zinc/80/14/79/589801479.db2.gz FVVWTDPKNYDHNQ-SSDOTTSWSA-N 1 2 213.237 1.016 20 0 BDADLO CO[C@H]1C[C@@H](CO[NH+]=C(N)[C@H]2CCCO2)C1 ZINC000871749118 589801640 /nfs/dbraw/zinc/80/16/40/589801640.db2.gz RBNOXBKTZYOSSZ-KXUCPTDWSA-N 1 2 228.292 1.089 20 0 BDADLO COC1CC(O[NH+]=C(N)COC2CCC2)C1 ZINC000871778657 589814051 /nfs/dbraw/zinc/81/40/51/589814051.db2.gz RJWWKPBGUSJICL-UHFFFAOYSA-N 1 2 228.292 1.231 20 0 BDADLO CC1(C)C[C@@H](O[NH+]=C(N)COC2CCC2)CO1 ZINC000871778331 589814208 /nfs/dbraw/zinc/81/42/08/589814208.db2.gz CZPYADBCVVZLKD-SNVBAGLBSA-N 1 2 242.319 1.621 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000872136079 589879409 /nfs/dbraw/zinc/87/94/09/589879409.db2.gz KTCXYKHVIOMGCK-VIFPVBQESA-N 1 2 247.298 1.721 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H](C)CO1 ZINC000888596890 589895815 /nfs/dbraw/zinc/89/58/15/589895815.db2.gz FVLDRGJRFLBSQZ-KWQFWETISA-N 1 2 236.271 1.454 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cncnc2)CCO1 ZINC000872254962 589901102 /nfs/dbraw/zinc/90/11/02/589901102.db2.gz HCSINOJDRSYMIH-JTQLQIEISA-N 1 2 243.257 1.333 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cncnc2)CCO1 ZINC000872254962 589901104 /nfs/dbraw/zinc/90/11/04/589901104.db2.gz HCSINOJDRSYMIH-JTQLQIEISA-N 1 2 243.257 1.333 20 0 BDADLO FC(F)C(F)(F)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872321301 589912286 /nfs/dbraw/zinc/91/22/86/589912286.db2.gz WGGOIHSRMQQVIV-KNVOCYPGSA-N 1 2 227.201 1.465 20 0 BDADLO FC(F)C(F)(F)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872321301 589912289 /nfs/dbraw/zinc/91/22/89/589912289.db2.gz WGGOIHSRMQQVIV-KNVOCYPGSA-N 1 2 227.201 1.465 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000872405032 589935508 /nfs/dbraw/zinc/93/55/08/589935508.db2.gz FRZGTTWMTFYMNM-SSDOTTSWSA-N 1 2 231.246 1.370 20 0 BDADLO Cc1c(F)ncnc1N1CCn2c[nH+]cc2C1 ZINC000872551687 589949790 /nfs/dbraw/zinc/94/97/90/589949790.db2.gz XYLXQSVHPGFKPR-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO C[C@H](C(=O)OC[C@@H]1C[C@H]1C)[NH+]1CCSCC1 ZINC000124166910 589957668 /nfs/dbraw/zinc/95/76/68/589957668.db2.gz KXCCPUPYUWNCSQ-MXWKQRLJSA-N 1 2 243.372 1.623 20 0 BDADLO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ccon1 ZINC000873127477 589985483 /nfs/dbraw/zinc/98/54/83/589985483.db2.gz OLOWCOOZTUSIFL-DGCLKSJQSA-N 1 2 246.266 1.259 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)[nH]n1 ZINC000873155937 589988244 /nfs/dbraw/zinc/98/82/44/589988244.db2.gz INDCSUJBGXOHAX-ZMLRMANQSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cnc(N)cn1 ZINC000873207464 589994142 /nfs/dbraw/zinc/99/41/42/589994142.db2.gz CQHNONARSRUWFX-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cnc(N)cn1 ZINC000873207464 589994145 /nfs/dbraw/zinc/99/41/45/589994145.db2.gz CQHNONARSRUWFX-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO COCC[C@H](C)[NH2+]c1ccc(OCCO)cc1 ZINC000124502307 590034788 /nfs/dbraw/zinc/03/47/88/590034788.db2.gz NGKZDWBKMTXWKI-NSHDSACASA-N 1 2 239.315 1.895 20 0 BDADLO C[C@@H](O)c1ccc(N2CCSCC2)[nH+]c1 ZINC000124901628 590097578 /nfs/dbraw/zinc/09/75/78/590097578.db2.gz FINRLKYHERHDEW-SECBINFHSA-N 1 2 224.329 1.688 20 0 BDADLO C[C@@H](O)c1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000124896335 590098101 /nfs/dbraw/zinc/09/81/01/590098101.db2.gz HSMKLMDEUKLNDJ-VHSXEESVSA-N 1 2 222.288 1.360 20 0 BDADLO C[C@@H](O)c1ccc(N2CC[C@H](C)C2)[nH+]c1 ZINC000124923576 590102083 /nfs/dbraw/zinc/10/20/83/590102083.db2.gz QGJRFKIIXIIBMB-VHSXEESVSA-N 1 2 206.289 1.981 20 0 BDADLO CCN(CCOC)c1ccc([C@H](C)O)c[nH+]1 ZINC000124928886 590102568 /nfs/dbraw/zinc/10/25/68/590102568.db2.gz IVNGBCZGMXHFHK-JTQLQIEISA-N 1 2 224.304 1.608 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC12CCC2 ZINC000874780099 590131184 /nfs/dbraw/zinc/13/11/84/590131184.db2.gz LKCGUJBAZTZLII-JTQLQIEISA-N 1 2 219.288 1.319 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC12CCC2 ZINC000874780099 590131187 /nfs/dbraw/zinc/13/11/87/590131187.db2.gz LKCGUJBAZTZLII-JTQLQIEISA-N 1 2 219.288 1.319 20 0 BDADLO CC[C@H](NC(=O)c1cnsn1)c1[nH]cc[nH+]1 ZINC000125338303 590162268 /nfs/dbraw/zinc/16/22/68/590162268.db2.gz YFIIFZMCHNVTFD-LURJTMIESA-N 1 2 237.288 1.142 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N(C1CC1)C1CC1 ZINC000875628540 590167226 /nfs/dbraw/zinc/16/72/26/590167226.db2.gz XKJSWOPTDYMEPT-LLVKDONJSA-N 1 2 246.314 1.664 20 0 BDADLO CC[N@H+](CCO)Cc1nc(Cl)cs1 ZINC000876526992 590208885 /nfs/dbraw/zinc/20/88/85/590208885.db2.gz NKXKCODOBVKSFS-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(Cl)cs1 ZINC000876526992 590208886 /nfs/dbraw/zinc/20/88/86/590208886.db2.gz NKXKCODOBVKSFS-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876527639 590208900 /nfs/dbraw/zinc/20/89/00/590208900.db2.gz IWCCZSXUYLOXEB-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876527639 590208901 /nfs/dbraw/zinc/20/89/01/590208901.db2.gz IWCCZSXUYLOXEB-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876610647 590221960 /nfs/dbraw/zinc/22/19/60/590221960.db2.gz GUXWOKQPAZGZDF-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876610647 590221962 /nfs/dbraw/zinc/22/19/62/590221962.db2.gz GUXWOKQPAZGZDF-VIFPVBQESA-N 1 2 248.282 1.754 20 0 BDADLO CCCn1cc(C[N@H+]2CC=C(C)CC2)nn1 ZINC000876751067 590237740 /nfs/dbraw/zinc/23/77/40/590237740.db2.gz TZFRKVSWPYMJPU-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCCn1cc(C[N@@H+]2CC=C(C)CC2)nn1 ZINC000876751067 590237742 /nfs/dbraw/zinc/23/77/42/590237742.db2.gz TZFRKVSWPYMJPU-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](C)OC ZINC000877302558 590310108 /nfs/dbraw/zinc/31/01/08/590310108.db2.gz GDAZRSWBBPMTRW-GXSJLCMTSA-N 1 2 229.320 1.343 20 0 BDADLO COC[C@@H]([NH2+]CCC(C)(C)SC)C(=O)OC ZINC000877469697 590334958 /nfs/dbraw/zinc/33/49/58/590334958.db2.gz SDVZOVHGBKORNW-SECBINFHSA-N 1 2 249.376 1.296 20 0 BDADLO COc1ncc(C[NH+]2CC3(C2)CCOC3)s1 ZINC000877554300 590356526 /nfs/dbraw/zinc/35/65/26/590356526.db2.gz HKKSXIIUNHGCRU-UHFFFAOYSA-N 1 2 240.328 1.374 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCOC3)onc1C1CC1 ZINC000877554871 590356703 /nfs/dbraw/zinc/35/67/03/590356703.db2.gz PYPIYISQPTXCPB-UHFFFAOYSA-N 1 2 234.299 1.774 20 0 BDADLO CCC[C@@H]([NH2+]CC(=O)NOCC)[C@H]1CC1(C)C ZINC000877613453 590373199 /nfs/dbraw/zinc/37/31/99/590373199.db2.gz JHHVKODBVWJWRO-GHMZBOCLSA-N 1 2 242.363 1.859 20 0 BDADLO CCOC(=O)C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000877701850 590395136 /nfs/dbraw/zinc/39/51/36/590395136.db2.gz BCVYWTXMTFNJHG-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)C[C@@](C)([NH2+]Cc1ccn[nH]1)C1CC1 ZINC000877707425 590397938 /nfs/dbraw/zinc/39/79/38/590397938.db2.gz SNXDFSSJPIQJKW-GFCCVEGCSA-N 1 2 237.303 1.231 20 0 BDADLO Cc1nocc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000888750755 590409741 /nfs/dbraw/zinc/40/97/41/590409741.db2.gz ICMKPJYVZKQZLD-QMMMGPOBSA-N 1 2 249.274 1.390 20 0 BDADLO COC(=O)C1(O)C[NH+](Cc2ccc(C)cc2C)C1 ZINC000877768177 590420365 /nfs/dbraw/zinc/42/03/65/590420365.db2.gz ANSDIKDBOPSTID-UHFFFAOYSA-N 1 2 249.310 1.023 20 0 BDADLO CCC[N@@H+](CC(=O)N=S(C)(C)=O)CC1CC1 ZINC000877907431 590445210 /nfs/dbraw/zinc/44/52/10/590445210.db2.gz ACEOETNSVSQTIH-UHFFFAOYSA-N 1 2 246.376 1.363 20 0 BDADLO CCC[N@H+](CC(=O)N=S(C)(C)=O)CC1CC1 ZINC000877907431 590445213 /nfs/dbraw/zinc/44/52/13/590445213.db2.gz ACEOETNSVSQTIH-UHFFFAOYSA-N 1 2 246.376 1.363 20 0 BDADLO CCOC(=O)N(C)C1CC[NH+](CC(C)=O)CC1 ZINC000878038131 590476908 /nfs/dbraw/zinc/47/69/08/590476908.db2.gz AMPFTTWFIAOZFS-UHFFFAOYSA-N 1 2 242.319 1.128 20 0 BDADLO Cc1conc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000878052473 590484053 /nfs/dbraw/zinc/48/40/53/590484053.db2.gz SMONVLAMDQAMRY-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1conc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000878052473 590484055 /nfs/dbraw/zinc/48/40/55/590484055.db2.gz SMONVLAMDQAMRY-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO O[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878053344 590484110 /nfs/dbraw/zinc/48/41/10/590484110.db2.gz FYUMQRQEQROQSO-VIFPVBQESA-N 1 2 222.288 1.120 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878053344 590484112 /nfs/dbraw/zinc/48/41/12/590484112.db2.gz FYUMQRQEQROQSO-VIFPVBQESA-N 1 2 222.288 1.120 20 0 BDADLO O=S1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878093357 590487267 /nfs/dbraw/zinc/48/72/67/590487267.db2.gz IUMTZUBGPAVFMX-WOPDTQHZSA-N 1 2 243.372 1.008 20 0 BDADLO CN1CC[N@H+](CCCSC(C)(C)C)CC1=O ZINC000878124254 590500081 /nfs/dbraw/zinc/50/00/81/590500081.db2.gz FDTUILPGQQXSCW-UHFFFAOYSA-N 1 2 244.404 1.682 20 0 BDADLO CN1CC[N@@H+](CCCSC(C)(C)C)CC1=O ZINC000878124254 590500083 /nfs/dbraw/zinc/50/00/83/590500083.db2.gz FDTUILPGQQXSCW-UHFFFAOYSA-N 1 2 244.404 1.682 20 0 BDADLO COC(=O)C[N@H+](CC[C@H](O)C(C)C)C1CC1 ZINC000878174222 590515014 /nfs/dbraw/zinc/51/50/14/590515014.db2.gz LIXPUIZRKHIOMC-NSHDSACASA-N 1 2 229.320 1.031 20 0 BDADLO COC(=O)C[N@@H+](CC[C@H](O)C(C)C)C1CC1 ZINC000878174222 590515016 /nfs/dbraw/zinc/51/50/16/590515016.db2.gz LIXPUIZRKHIOMC-NSHDSACASA-N 1 2 229.320 1.031 20 0 BDADLO OCC1(C[C@@H](O)Cn2cc[nH+]c2)CCCC1 ZINC000878207668 590524284 /nfs/dbraw/zinc/52/42/84/590524284.db2.gz NSZNAOZFEXZIGS-LLVKDONJSA-N 1 2 224.304 1.187 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@@H](O)C(C)C)C(C)(C)C ZINC000878266226 590531578 /nfs/dbraw/zinc/53/15/78/590531578.db2.gz ZWXMPNKGBLUMAM-GHMZBOCLSA-N 1 2 245.363 1.571 20 0 BDADLO Oc1cccc(SCC[NH+]2CCOCC2)c1 ZINC000127021548 590533518 /nfs/dbraw/zinc/53/35/18/590533518.db2.gz STEFYFZIDQZTOF-UHFFFAOYSA-N 1 2 239.340 1.817 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccns2)CCN1C ZINC000878315831 590541545 /nfs/dbraw/zinc/54/15/45/590541545.db2.gz CPVIQHPSJFWYQQ-VIFPVBQESA-N 1 2 211.334 1.279 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccns2)CCN1C ZINC000878315831 590541547 /nfs/dbraw/zinc/54/15/47/590541547.db2.gz CPVIQHPSJFWYQQ-VIFPVBQESA-N 1 2 211.334 1.279 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878315222 590541941 /nfs/dbraw/zinc/54/19/41/590541941.db2.gz JKULQBDGGWGHIN-SDDRHHMPSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878315222 590541943 /nfs/dbraw/zinc/54/19/43/590541943.db2.gz JKULQBDGGWGHIN-SDDRHHMPSA-N 1 2 235.331 1.799 20 0 BDADLO CCN(C#N)CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000878338567 590550497 /nfs/dbraw/zinc/55/04/97/590550497.db2.gz YHHBMNCLCFDLSS-LLVKDONJSA-N 1 2 233.319 1.350 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000878338567 590550499 /nfs/dbraw/zinc/55/04/99/590550499.db2.gz YHHBMNCLCFDLSS-LLVKDONJSA-N 1 2 233.319 1.350 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000878338567 590550500 /nfs/dbraw/zinc/55/05/00/590550500.db2.gz YHHBMNCLCFDLSS-LLVKDONJSA-N 1 2 233.319 1.350 20 0 BDADLO C=C/C=C\CC[N@@H+](C)Cc1noc(C)n1 ZINC000878381015 590556609 /nfs/dbraw/zinc/55/66/09/590556609.db2.gz IZAQRVACJYAEAF-WAYWQWQTSA-N 1 2 207.277 1.942 20 0 BDADLO C=C/C=C\CC[N@H+](C)Cc1noc(C)n1 ZINC000878381015 590556610 /nfs/dbraw/zinc/55/66/10/590556610.db2.gz IZAQRVACJYAEAF-WAYWQWQTSA-N 1 2 207.277 1.942 20 0 BDADLO C[C@@H]1CCCC[N@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878451872 590569598 /nfs/dbraw/zinc/56/95/98/590569598.db2.gz SCAFUHGLWRBODY-SNVBAGLBSA-N 1 2 246.376 1.363 20 0 BDADLO C[C@@H]1CCCC[N@@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878451872 590569600 /nfs/dbraw/zinc/56/96/00/590569600.db2.gz SCAFUHGLWRBODY-SNVBAGLBSA-N 1 2 246.376 1.363 20 0 BDADLO Cc1conc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000878508449 590583057 /nfs/dbraw/zinc/58/30/57/590583057.db2.gz UTYLTJCFZNZEBU-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1conc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000878508449 590583059 /nfs/dbraw/zinc/58/30/59/590583059.db2.gz UTYLTJCFZNZEBU-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878536757 590588657 /nfs/dbraw/zinc/58/86/57/590588657.db2.gz BRBMRKQCCKZIJL-RHYQMDGZSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878536757 590588658 /nfs/dbraw/zinc/58/86/58/590588658.db2.gz BRBMRKQCCKZIJL-RHYQMDGZSA-N 1 2 241.331 1.437 20 0 BDADLO CC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000878611000 590595885 /nfs/dbraw/zinc/59/58/85/590595885.db2.gz KJSIMBVBLAMFMU-NSHDSACASA-N 1 2 242.319 1.128 20 0 BDADLO CC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000878611000 590595887 /nfs/dbraw/zinc/59/58/87/590595887.db2.gz KJSIMBVBLAMFMU-NSHDSACASA-N 1 2 242.319 1.128 20 0 BDADLO C[C@]1([NH2+]C[C@H]2CCC(C)(C)CO2)CCOC1=O ZINC000878632035 590598167 /nfs/dbraw/zinc/59/81/67/590598167.db2.gz MIMNKBXOYZWLCA-MFKMUULPSA-N 1 2 241.331 1.487 20 0 BDADLO CC1(C)CO[C@@H](C[NH2+][C@]2(C)CCOC2=O)C1 ZINC000878632327 590598506 /nfs/dbraw/zinc/59/85/06/590598506.db2.gz PDSXMMLXEKBBFL-BXKDBHETSA-N 1 2 227.304 1.097 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc3c(c(=O)[nH]2)COCC3)[C@@H]1C ZINC000878652300 590602415 /nfs/dbraw/zinc/60/24/15/590602415.db2.gz OAYDXKYARDPVIX-RKDXNWHRSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc3c(c(=O)[nH]2)COCC3)[C@@H]1C ZINC000878652300 590602416 /nfs/dbraw/zinc/60/24/16/590602416.db2.gz OAYDXKYARDPVIX-RKDXNWHRSA-N 1 2 249.314 1.095 20 0 BDADLO C=C/C=C/CC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000878698056 590611388 /nfs/dbraw/zinc/61/13/88/590611388.db2.gz OHEUBVRRDRQFRA-GWJCSSMESA-N 1 2 241.331 1.677 20 0 BDADLO C=C/C=C/CC[NH2+][C@](CC)(COC)C(=O)OC ZINC000878698059 590611418 /nfs/dbraw/zinc/61/14/18/590611418.db2.gz OHEUBVRRDRQFRA-SBDDDAINSA-N 1 2 241.331 1.677 20 0 BDADLO c1ncc(C[NH+]2CCC(c3ccncn3)CC2)[nH]1 ZINC000878707751 590612860 /nfs/dbraw/zinc/61/28/60/590612860.db2.gz PMAGWJCYUGKLMK-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000878712079 590613729 /nfs/dbraw/zinc/61/37/29/590613729.db2.gz VVWIMQVMAALGFY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000878712079 590613731 /nfs/dbraw/zinc/61/37/31/590613731.db2.gz VVWIMQVMAALGFY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000878712079 590613733 /nfs/dbraw/zinc/61/37/33/590613733.db2.gz VVWIMQVMAALGFY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000878712079 590613734 /nfs/dbraw/zinc/61/37/34/590613734.db2.gz VVWIMQVMAALGFY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000878712079 590613736 /nfs/dbraw/zinc/61/37/36/590613736.db2.gz VVWIMQVMAALGFY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000878712079 590613738 /nfs/dbraw/zinc/61/37/38/590613738.db2.gz VVWIMQVMAALGFY-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO ClC1=CCC[N@H+](CCc2cnccn2)C1 ZINC000878790119 590622404 /nfs/dbraw/zinc/62/24/04/590622404.db2.gz MQJCXLIXFYCRBE-UHFFFAOYSA-N 1 2 223.707 1.848 20 0 BDADLO ClC1=CCC[N@@H+](CCc2cnccn2)C1 ZINC000878790119 590622405 /nfs/dbraw/zinc/62/24/05/590622405.db2.gz MQJCXLIXFYCRBE-UHFFFAOYSA-N 1 2 223.707 1.848 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCC=C(Cl)C1 ZINC000878790052 590622682 /nfs/dbraw/zinc/62/26/82/590622682.db2.gz BZQLOLCTMICIQR-UHFFFAOYSA-N 1 2 240.738 1.935 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCC=C(Cl)C1 ZINC000878790052 590622684 /nfs/dbraw/zinc/62/26/84/590622684.db2.gz BZQLOLCTMICIQR-UHFFFAOYSA-N 1 2 240.738 1.935 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793328 590624248 /nfs/dbraw/zinc/62/42/48/590624248.db2.gz BBLYPRPTOKWMGW-UHFFFAOYSA-N 1 2 216.712 1.293 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793328 590624249 /nfs/dbraw/zinc/62/42/49/590624249.db2.gz BBLYPRPTOKWMGW-UHFFFAOYSA-N 1 2 216.712 1.293 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793687 590624413 /nfs/dbraw/zinc/62/44/13/590624413.db2.gz SUASQTALJGYIMX-MRVPVSSYSA-N 1 2 216.712 1.292 20 0 BDADLO C[C@H](C(=O)N(C)C)[N@H+]1CCC=C(Cl)C1 ZINC000878793687 590624415 /nfs/dbraw/zinc/62/44/15/590624415.db2.gz SUASQTALJGYIMX-MRVPVSSYSA-N 1 2 216.712 1.292 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CC[C@H](O)C(C)C)n1 ZINC000878844999 590631896 /nfs/dbraw/zinc/63/18/96/590631896.db2.gz GVTLIWLUBNZWGB-KOLCDFICSA-N 1 2 241.335 1.778 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CC[C@H](O)C(C)C)n1 ZINC000878844999 590631898 /nfs/dbraw/zinc/63/18/98/590631898.db2.gz GVTLIWLUBNZWGB-KOLCDFICSA-N 1 2 241.335 1.778 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000878888686 590641799 /nfs/dbraw/zinc/64/17/99/590641799.db2.gz NPLGOWXRFYHRPP-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000878888686 590641802 /nfs/dbraw/zinc/64/18/02/590641802.db2.gz NPLGOWXRFYHRPP-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1nc3c(o1)CCCC3)CC2 ZINC000878949891 590658671 /nfs/dbraw/zinc/65/86/71/590658671.db2.gz QOYMCKSAGCPZEK-IINYFYTJSA-N 1 2 248.326 1.510 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc3c(o1)CCCC3)CC2 ZINC000878949891 590658673 /nfs/dbraw/zinc/65/86/73/590658673.db2.gz QOYMCKSAGCPZEK-IINYFYTJSA-N 1 2 248.326 1.510 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000878970662 590665556 /nfs/dbraw/zinc/66/55/56/590665556.db2.gz XATQSLFKQMJWMR-SNVBAGLBSA-N 1 2 213.302 1.553 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000878970662 590665557 /nfs/dbraw/zinc/66/55/57/590665557.db2.gz XATQSLFKQMJWMR-SNVBAGLBSA-N 1 2 213.302 1.553 20 0 BDADLO COCC1(C[N@@H+](C)Cc2cn[nH]c2C)CCC1 ZINC000879188307 590709983 /nfs/dbraw/zinc/70/99/83/590709983.db2.gz JUFRLYXIQGJJKD-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC1OCCCO1 ZINC000879187159 590710644 /nfs/dbraw/zinc/71/06/44/590710644.db2.gz XDKQHXWGVPGYGA-UHFFFAOYSA-N 1 2 239.319 1.303 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC1OCCCO1 ZINC000879187159 590710645 /nfs/dbraw/zinc/71/06/45/590710645.db2.gz XDKQHXWGVPGYGA-UHFFFAOYSA-N 1 2 239.319 1.303 20 0 BDADLO O=C(COC1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000879372239 590755928 /nfs/dbraw/zinc/75/59/28/590755928.db2.gz GQYBFIAWOBPIQI-JTQLQIEISA-N 1 2 235.287 1.252 20 0 BDADLO COCC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501711 590783347 /nfs/dbraw/zinc/78/33/47/590783347.db2.gz QHIFRVHXZGRPIP-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO COCC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879501711 590783348 /nfs/dbraw/zinc/78/33/48/590783348.db2.gz QHIFRVHXZGRPIP-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000879554159 590799686 /nfs/dbraw/zinc/79/96/86/590799686.db2.gz LLJKLMSMOMEAFY-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)no1 ZINC000879560877 590803411 /nfs/dbraw/zinc/80/34/11/590803411.db2.gz ZUWVKROGMUJMIC-VHSXEESVSA-N 1 2 239.344 1.563 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)no1 ZINC000879560877 590803413 /nfs/dbraw/zinc/80/34/13/590803413.db2.gz ZUWVKROGMUJMIC-VHSXEESVSA-N 1 2 239.344 1.563 20 0 BDADLO CNC(=O)C[N@H+](CCC(C)=O)Cc1ccccc1 ZINC000879753500 590864712 /nfs/dbraw/zinc/86/47/12/590864712.db2.gz CQCLQGNXGMZWIM-UHFFFAOYSA-N 1 2 248.326 1.214 20 0 BDADLO CNC(=O)C[N@@H+](CCC(C)=O)Cc1ccccc1 ZINC000879753500 590864716 /nfs/dbraw/zinc/86/47/16/590864716.db2.gz CQCLQGNXGMZWIM-UHFFFAOYSA-N 1 2 248.326 1.214 20 0 BDADLO C[S@](=N)(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000879943273 590893567 /nfs/dbraw/zinc/89/35/67/590893567.db2.gz WEWBUEFMWSXIQU-MEDUHNTESA-N 1 2 243.376 1.304 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CC[C@H](C)O ZINC000879980628 590901317 /nfs/dbraw/zinc/90/13/17/590901317.db2.gz JLPIWODYMKOXAR-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](O)C(C)C ZINC000879980557 590902611 /nfs/dbraw/zinc/90/26/11/590902611.db2.gz IVAPPSGYEQOVLH-VXGBXAGGSA-N 1 2 243.347 1.325 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002822 590906909 /nfs/dbraw/zinc/90/69/09/590906909.db2.gz RGGMAIQOWNMSSD-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002822 590906913 /nfs/dbraw/zinc/90/69/13/590906913.db2.gz RGGMAIQOWNMSSD-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](C(C)(C)O)C2)no1 ZINC000880148080 590946417 /nfs/dbraw/zinc/94/64/17/590946417.db2.gz QGFRYSXIAMRPPT-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](C(C)(C)O)C2)no1 ZINC000880148080 590946419 /nfs/dbraw/zinc/94/64/19/590946419.db2.gz QGFRYSXIAMRPPT-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000880159490 590947065 /nfs/dbraw/zinc/94/70/65/590947065.db2.gz VWDKOLONYAZWRB-SECBINFHSA-N 1 2 231.255 1.659 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)CC23CCC3)no1 ZINC000880166919 590948794 /nfs/dbraw/zinc/94/87/94/590948794.db2.gz KWJRTSQZYFUOPH-UHFFFAOYSA-N 1 2 249.314 1.228 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)CC23CCC3)no1 ZINC000880166919 590948796 /nfs/dbraw/zinc/94/87/96/590948796.db2.gz KWJRTSQZYFUOPH-UHFFFAOYSA-N 1 2 249.314 1.228 20 0 BDADLO COCC1([N@H+](C)Cc2nc(C)no2)CCC1 ZINC000880185253 590951945 /nfs/dbraw/zinc/95/19/45/590951945.db2.gz KGQSAPMJVPWVOB-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO COCC1([N@@H+](C)Cc2nc(C)no2)CCC1 ZINC000880185253 590951950 /nfs/dbraw/zinc/95/19/50/590951950.db2.gz KGQSAPMJVPWVOB-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO CCCc1noc(C[NH+]2CCC(F)CC2)n1 ZINC000880243213 590976358 /nfs/dbraw/zinc/97/63/58/590976358.db2.gz FJKGIVOBZZJJIY-UHFFFAOYSA-N 1 2 227.283 1.956 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](CF)C2)n1 ZINC000880293966 590989751 /nfs/dbraw/zinc/98/97/51/590989751.db2.gz GKFAVKRYZAXNLT-BDAKNGLRSA-N 1 2 243.282 1.568 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](CF)C2)n1 ZINC000880293966 590989752 /nfs/dbraw/zinc/98/97/52/590989752.db2.gz GKFAVKRYZAXNLT-BDAKNGLRSA-N 1 2 243.282 1.568 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CF)C2)on1 ZINC000880296081 590990259 /nfs/dbraw/zinc/99/02/59/590990259.db2.gz UEGHJRIIBPOCFP-VIFPVBQESA-N 1 2 241.266 1.213 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CF)C2)on1 ZINC000880296081 590990260 /nfs/dbraw/zinc/99/02/60/590990260.db2.gz UEGHJRIIBPOCFP-VIFPVBQESA-N 1 2 241.266 1.213 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880298505 590992874 /nfs/dbraw/zinc/99/28/74/590992874.db2.gz CKIBHBAKNBVIAX-QMMMGPOBSA-N 1 2 212.272 1.159 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880298505 590992875 /nfs/dbraw/zinc/99/28/75/590992875.db2.gz CKIBHBAKNBVIAX-QMMMGPOBSA-N 1 2 212.272 1.159 20 0 BDADLO CCCCC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880361944 591010684 /nfs/dbraw/zinc/01/06/84/591010684.db2.gz CYQFDGQKUDJFQU-UHFFFAOYSA-N 1 2 249.318 1.040 20 0 BDADLO CCCCC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880361944 591010688 /nfs/dbraw/zinc/01/06/88/591010688.db2.gz CYQFDGQKUDJFQU-UHFFFAOYSA-N 1 2 249.318 1.040 20 0 BDADLO Cc1nocc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880367938 591012849 /nfs/dbraw/zinc/01/28/49/591012849.db2.gz NNDPLNUXAJLNTJ-UHFFFAOYSA-N 1 2 244.298 1.942 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cccc(F)c1F ZINC000880482266 591056146 /nfs/dbraw/zinc/05/61/46/591056146.db2.gz COWMHGFKDNDNHZ-SNVBAGLBSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cccc(F)c1F ZINC000880482266 591056151 /nfs/dbraw/zinc/05/61/51/591056151.db2.gz COWMHGFKDNDNHZ-SNVBAGLBSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000880494661 591074141 /nfs/dbraw/zinc/07/41/41/591074141.db2.gz QNEYNXWDQUTZAL-SNVBAGLBSA-N 1 2 239.702 1.778 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000880494661 591074137 /nfs/dbraw/zinc/07/41/37/591074137.db2.gz QNEYNXWDQUTZAL-SNVBAGLBSA-N 1 2 239.702 1.778 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)OC ZINC000880500987 591076324 /nfs/dbraw/zinc/07/63/24/591076324.db2.gz CPEGNFDGWDGEQW-LOWVWBTDSA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880514462 591082384 /nfs/dbraw/zinc/08/23/84/591082384.db2.gz YVZCNEQPJWULQZ-FOGDFJRCSA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1cncs1 ZINC000880591289 591103472 /nfs/dbraw/zinc/10/34/72/591103472.db2.gz FDRPWONOVCIGIP-JTQLQIEISA-N 1 2 241.360 1.475 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1cncs1 ZINC000880591289 591103473 /nfs/dbraw/zinc/10/34/73/591103473.db2.gz FDRPWONOVCIGIP-JTQLQIEISA-N 1 2 241.360 1.475 20 0 BDADLO O=C(CC[N@@H+]1CCc2ncncc2C1)C1CC1 ZINC000880597373 591106214 /nfs/dbraw/zinc/10/62/14/591106214.db2.gz VGAUUEZNEBVKGV-UHFFFAOYSA-N 1 2 231.299 1.204 20 0 BDADLO O=C(CC[N@H+]1CCc2ncncc2C1)C1CC1 ZINC000880597373 591106217 /nfs/dbraw/zinc/10/62/17/591106217.db2.gz VGAUUEZNEBVKGV-UHFFFAOYSA-N 1 2 231.299 1.204 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000888852519 591154283 /nfs/dbraw/zinc/15/42/83/591154283.db2.gz WDSNNZSNDDIMAF-KCJUWKMLSA-N 1 2 220.272 1.175 20 0 BDADLO C/C=C\C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000211344372 591160704 /nfs/dbraw/zinc/16/07/04/591160704.db2.gz UFMUKCDRRBIBAX-DJWKRKHSSA-N 1 2 231.299 1.306 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C(F)F ZINC000881276416 591178559 /nfs/dbraw/zinc/17/85/59/591178559.db2.gz DJZLXFAUGRGPIS-RNFRBKRXSA-N 1 2 244.245 1.281 20 0 BDADLO O[C@@H](c1cn(CCCn2cc[nH+]c2)nn1)C1CC1 ZINC000881301033 591184542 /nfs/dbraw/zinc/18/45/42/591184542.db2.gz RKHMNAUYMAEQHV-GFCCVEGCSA-N 1 2 247.302 1.008 20 0 BDADLO c1cn(CCn2cc([C@@H]3CCCCO3)nn2)c[nH+]1 ZINC000881345291 591194525 /nfs/dbraw/zinc/19/45/25/591194525.db2.gz MFGZHGFGIKKTHU-LBPRGKRZSA-N 1 2 247.302 1.416 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1C=CCC1)n1cc[nH+]c1 ZINC000881500680 591223166 /nfs/dbraw/zinc/22/31/66/591223166.db2.gz JGOHMOYTVYNYHZ-NEPJUHHUSA-N 1 2 233.315 1.917 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000881567978 591242762 /nfs/dbraw/zinc/24/27/62/591242762.db2.gz YHRXWKXKTUGLNZ-PCAWENJQSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000881567977 591242782 /nfs/dbraw/zinc/24/27/82/591242782.db2.gz YHRXWKXKTUGLNZ-MVZIDQBPSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C\CCNC(=O)CCc1c[nH+]cn1C ZINC000881568300 591242826 /nfs/dbraw/zinc/24/28/26/591242826.db2.gz NTAJMKZPDIHRST-PLNGDYQASA-N 1 2 233.315 1.601 20 0 BDADLO CCOCCCNc1nc[nH+]c(C)c1C ZINC000881741673 591268640 /nfs/dbraw/zinc/26/86/40/591268640.db2.gz PAJDJBOTLNBWAE-UHFFFAOYSA-N 1 2 209.293 1.932 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@H]2CCCO2)c1C ZINC000881906937 591277587 /nfs/dbraw/zinc/27/75/87/591277587.db2.gz GFZWKPMFJSXGCT-LLVKDONJSA-N 1 2 221.304 1.709 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@H](O)C(F)(F)F)c1C ZINC000881973797 591284825 /nfs/dbraw/zinc/28/48/25/591284825.db2.gz RODGBYGLTHJUEQ-MRVPVSSYSA-N 1 2 249.236 1.819 20 0 BDADLO CCn1cnnc1CCNc1nc[nH+]c(C)c1C ZINC000881993700 591286417 /nfs/dbraw/zinc/28/64/17/591286417.db2.gz YVGWCDMZYSNXAK-UHFFFAOYSA-N 1 2 246.318 1.359 20 0 BDADLO CS[C@H](CO)[C@H](C)Nc1nc[nH+]c(C)c1C ZINC000882004207 591286662 /nfs/dbraw/zinc/28/66/62/591286662.db2.gz AJCGEKFTUXAUGS-VHSXEESVSA-N 1 2 241.360 1.618 20 0 BDADLO Cc1nonc1CNc1nc[nH+]c(C)c1C ZINC000882030453 591288891 /nfs/dbraw/zinc/28/88/91/591288891.db2.gz TWZRXWMWFCQLLS-UHFFFAOYSA-N 1 2 219.248 1.397 20 0 BDADLO Cc1[nH+]cnc(N(C)C[C@@H]2CCC[C@@H]2O)c1C ZINC000882133575 591303698 /nfs/dbraw/zinc/30/36/98/591303698.db2.gz VOCOXRRIGIYAQT-RYUDHWBXSA-N 1 2 235.331 1.691 20 0 BDADLO OCc1cc[nH+]c(NCCc2cnccn2)c1 ZINC000882160066 591309319 /nfs/dbraw/zinc/30/93/19/591309319.db2.gz KKMWUDYPGDLNMG-UHFFFAOYSA-N 1 2 230.271 1.019 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCOC[C@@H]2C)c1C ZINC000882266955 591322993 /nfs/dbraw/zinc/32/29/93/591322993.db2.gz VUJXUVRBZOLMQE-KWQFWETISA-N 1 2 221.304 1.930 20 0 BDADLO Cc1[nH+]cnc(NCCCCCO)c1C ZINC000882280890 591326019 /nfs/dbraw/zinc/32/60/19/591326019.db2.gz NKKCRYQNJCLOBI-UHFFFAOYSA-N 1 2 209.293 1.668 20 0 BDADLO COCCOCCN(C)c1nc[nH+]c(C)c1C ZINC000882380461 591339444 /nfs/dbraw/zinc/33/94/44/591339444.db2.gz MJLDRYWPZCRYMS-UHFFFAOYSA-N 1 2 239.319 1.193 20 0 BDADLO CNC(=O)C[C@H](C)Nc1nc[nH+]c(C)c1C ZINC000882427598 591346756 /nfs/dbraw/zinc/34/67/56/591346756.db2.gz VIPOUBHXOYIHQA-ZETCQYMHSA-N 1 2 222.292 1.030 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H](CO)C[C@H](C)C2)c1C ZINC000882471371 591354182 /nfs/dbraw/zinc/35/41/82/591354182.db2.gz PZDRXQFSWBKEKF-JOYOIKCWSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCC3(CCC3)O2)c[nH+]1 ZINC000882545002 591389808 /nfs/dbraw/zinc/38/98/08/591389808.db2.gz ZLETXRSIFQSUCB-SNVBAGLBSA-N 1 2 249.314 1.550 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H]3COC[C@H]3C2)c1C ZINC000882631272 591404392 /nfs/dbraw/zinc/40/43/92/591404392.db2.gz IKENBJLYQCCXMU-NWDGAFQWSA-N 1 2 233.315 1.566 20 0 BDADLO OCCCn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000129789310 591405090 /nfs/dbraw/zinc/40/50/90/591405090.db2.gz XZDWGVASBDCEBQ-UHFFFAOYSA-N 1 2 237.690 1.981 20 0 BDADLO CCC[N@@H+]1CC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000212892564 591435984 /nfs/dbraw/zinc/43/59/84/591435984.db2.gz YZWCRFHQCVGZRB-SSDOTTSWSA-N 1 2 224.226 1.149 20 0 BDADLO CCC[N@H+]1CC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000212892564 591435989 /nfs/dbraw/zinc/43/59/89/591435989.db2.gz YZWCRFHQCVGZRB-SSDOTTSWSA-N 1 2 224.226 1.149 20 0 BDADLO Cc1nccnc1[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000882719229 591420348 /nfs/dbraw/zinc/42/03/48/591420348.db2.gz FLKOEVPLAGDVDM-SNVBAGLBSA-N 1 2 244.298 1.845 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CC23CCC3)c1 ZINC000882720379 591420643 /nfs/dbraw/zinc/42/06/43/591420643.db2.gz UZMRKEYEBFOLLG-JTQLQIEISA-N 1 2 204.273 1.928 20 0 BDADLO Cn1ncc2c1nc(NC[C@H]1C=CCC1)[nH+]c2N ZINC000882757164 591429872 /nfs/dbraw/zinc/42/98/72/591429872.db2.gz ZHMDSXJHCMHXIW-QMMMGPOBSA-N 1 2 244.302 1.324 20 0 BDADLO Cc1nc(NCC(C)(C)CC(F)F)nc(N)[nH+]1 ZINC000882779612 591436610 /nfs/dbraw/zinc/43/66/10/591436610.db2.gz BOZCDEUVWUFZKX-UHFFFAOYSA-N 1 2 245.277 1.856 20 0 BDADLO Cc1nc(N)nc(NCC(C)(C)CC(F)F)[nH+]1 ZINC000882779612 591436612 /nfs/dbraw/zinc/43/66/12/591436612.db2.gz BOZCDEUVWUFZKX-UHFFFAOYSA-N 1 2 245.277 1.856 20 0 BDADLO CCc1cc(N2CC=C[C@H]2CO)nc(C)[nH+]1 ZINC000882976588 591489628 /nfs/dbraw/zinc/48/96/28/591489628.db2.gz HOHIIGPUSGEPFN-NSHDSACASA-N 1 2 219.288 1.085 20 0 BDADLO Cc1nc(N2CC=C[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000882976730 591490346 /nfs/dbraw/zinc/49/03/46/591490346.db2.gz LQUMRPPTEPFWEA-NSHDSACASA-N 1 2 245.326 1.401 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)c1ncccn1 ZINC000882981691 591491754 /nfs/dbraw/zinc/49/17/54/591491754.db2.gz RACYZVIWNCNSHL-YUMQZZPRSA-N 1 2 224.264 1.071 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@H](C)c1ncccn1 ZINC000882981688 591492389 /nfs/dbraw/zinc/49/23/89/591492389.db2.gz RACYZVIWNCNSHL-HTQZYQBOSA-N 1 2 224.264 1.071 20 0 BDADLO CC(C)c1c[nH]c(CNCc2cocn2)[nH+]1 ZINC000882989456 591496097 /nfs/dbraw/zinc/49/60/97/591496097.db2.gz QYYOOADNHVNKTF-UHFFFAOYSA-N 1 2 220.276 1.811 20 0 BDADLO CC(C)[C@@H](O)CCO[NH+]=C(N)COC(C)(C)C ZINC000882988220 591497077 /nfs/dbraw/zinc/49/70/77/591497077.db2.gz GPQSQRUYQBRMRN-JTQLQIEISA-N 1 2 246.351 1.707 20 0 BDADLO NC(CO)=[NH+]OCc1ccc2c(c1)CCC2 ZINC000883011361 591510472 /nfs/dbraw/zinc/51/04/72/591510472.db2.gz RYAPUDKXIGDTQT-UHFFFAOYSA-N 1 2 220.272 1.166 20 0 BDADLO CC(C)Oc1ccc(CO[NH+]=C(N)CO)cc1 ZINC000883011190 591510489 /nfs/dbraw/zinc/51/04/89/591510489.db2.gz MXBCXRJBIUICKN-UHFFFAOYSA-N 1 2 238.287 1.465 20 0 BDADLO NC(CO)=[NH+]OCCSC1CCCCC1 ZINC000883012329 591512307 /nfs/dbraw/zinc/51/23/07/591512307.db2.gz BRUDTJFPRMRZOO-UHFFFAOYSA-N 1 2 232.349 1.543 20 0 BDADLO NC(CO)=[NH+]OCc1sccc1Cl ZINC000883012786 591513098 /nfs/dbraw/zinc/51/30/98/591513098.db2.gz SXCHVQVVHFOWPZ-UHFFFAOYSA-N 1 2 220.681 1.392 20 0 BDADLO NC(CO)=[NH+]OCC[C@@H]1CCCC1(F)F ZINC000883013283 591514363 /nfs/dbraw/zinc/51/43/63/591514363.db2.gz KFHHAPJBLFSWLY-ZETCQYMHSA-N 1 2 222.235 1.303 20 0 BDADLO O[C@H]1CN(c2cccc[nH+]2)CC2(CCOCC2)C1 ZINC000883015278 591514637 /nfs/dbraw/zinc/51/46/37/591514637.db2.gz OBCQVIKWEBBUCP-GFCCVEGCSA-N 1 2 248.326 1.449 20 0 BDADLO C[C@H]1CCCC[C@@H]1CO[NH+]=C(N)CO ZINC000883013479 591514719 /nfs/dbraw/zinc/51/47/19/591514719.db2.gz PHXZDNRMMIZYIF-DTWKUNHWSA-N 1 2 200.282 1.303 20 0 BDADLO CC(C)c1c[nH]c(CNc2ccn(C)n2)[nH+]1 ZINC000883038023 591523707 /nfs/dbraw/zinc/52/37/07/591523707.db2.gz UBNLHBYKKADJKK-UHFFFAOYSA-N 1 2 219.292 1.879 20 0 BDADLO CCN1CC[C@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883047919 591528286 /nfs/dbraw/zinc/52/82/86/591528286.db2.gz DFCVYJVTMMJPEN-NSHDSACASA-N 1 2 247.298 1.154 20 0 BDADLO CCN1CC[C@@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883047918 591528609 /nfs/dbraw/zinc/52/86/09/591528609.db2.gz DFCVYJVTMMJPEN-LLVKDONJSA-N 1 2 247.298 1.154 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C=CCC1 ZINC000883143408 591550117 /nfs/dbraw/zinc/55/01/17/591550117.db2.gz JXOQQHRZTUUWHQ-VXGBXAGGSA-N 1 2 248.330 1.537 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000883158660 591555671 /nfs/dbraw/zinc/55/56/71/591555671.db2.gz NMVMWWJHWYIVOS-WDEREUQCSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000883158659 591556461 /nfs/dbraw/zinc/55/64/61/591556461.db2.gz NMVMWWJHWYIVOS-QWRGUYRKSA-N 1 2 228.336 1.613 20 0 BDADLO COC[C@@H](Nc1cccc[nH+]1)[C@@H]1CCCOC1 ZINC000883210785 591573989 /nfs/dbraw/zinc/57/39/89/591573989.db2.gz ZKCLBIBHEZNDEP-VXGBXAGGSA-N 1 2 236.315 1.935 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1cncnc1 ZINC000131384591 591605762 /nfs/dbraw/zinc/60/57/62/591605762.db2.gz GYMKXLNUAIBLCL-UHFFFAOYSA-N 1 2 232.287 1.713 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1cncnc1 ZINC000131384591 591605764 /nfs/dbraw/zinc/60/57/64/591605764.db2.gz GYMKXLNUAIBLCL-UHFFFAOYSA-N 1 2 232.287 1.713 20 0 BDADLO Cn1cccc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883307982 591611174 /nfs/dbraw/zinc/61/11/74/591611174.db2.gz FRUURBMNEIOIKL-UHFFFAOYSA-N 1 2 242.326 1.984 20 0 BDADLO Cn1cc(Cl)c(NCc2c[nH+]cn2C)n1 ZINC000883373561 591633722 /nfs/dbraw/zinc/63/37/22/591633722.db2.gz UFEKPWGZQPKOTM-UHFFFAOYSA-N 1 2 225.683 1.419 20 0 BDADLO CN1CC[N@@H+](C2CC(OC(C)(C)C)C2)CC1=O ZINC000132365221 591705872 /nfs/dbraw/zinc/70/58/72/591705872.db2.gz NLUJMPALECEUAY-UHFFFAOYSA-N 1 2 240.347 1.107 20 0 BDADLO CN1CC[N@H+](C2CC(OC(C)(C)C)C2)CC1=O ZINC000132365221 591705877 /nfs/dbraw/zinc/70/58/77/591705877.db2.gz NLUJMPALECEUAY-UHFFFAOYSA-N 1 2 240.347 1.107 20 0 BDADLO O=C(NC[C@H]1C=CCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000883669465 591714249 /nfs/dbraw/zinc/71/42/49/591714249.db2.gz HVCQJYQYOBBTRS-WDEREUQCSA-N 1 2 246.314 1.593 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000883669462 591715491 /nfs/dbraw/zinc/71/54/91/591715491.db2.gz HVCQJYQYOBBTRS-GHMZBOCLSA-N 1 2 246.314 1.593 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCc2ccsc2C1 ZINC000132608445 591724608 /nfs/dbraw/zinc/72/46/08/591724608.db2.gz FZBXFAYYDBRONO-UHFFFAOYSA-N 1 2 236.340 1.686 20 0 BDADLO O=C1CCCN1C[N@H+]1CCc2ccsc2C1 ZINC000132608445 591724611 /nfs/dbraw/zinc/72/46/11/591724611.db2.gz FZBXFAYYDBRONO-UHFFFAOYSA-N 1 2 236.340 1.686 20 0 BDADLO CCn1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)nn1 ZINC000884002628 591791452 /nfs/dbraw/zinc/79/14/52/591791452.db2.gz RIQQEEPPGYKTGJ-VHSXEESVSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)nn1 ZINC000884002628 591791456 /nfs/dbraw/zinc/79/14/56/591791456.db2.gz RIQQEEPPGYKTGJ-VHSXEESVSA-N 1 2 240.376 1.624 20 0 BDADLO CC[C@@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800104727 591823587 /nfs/dbraw/zinc/82/35/87/591823587.db2.gz FCLKPIBGWUCCDJ-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800104727 591823592 /nfs/dbraw/zinc/82/35/92/591823592.db2.gz FCLKPIBGWUCCDJ-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO CCC(C)(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800159608 591829606 /nfs/dbraw/zinc/82/96/06/591829606.db2.gz SSQDYAHTJITUKQ-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCC(C)(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800159608 591829608 /nfs/dbraw/zinc/82/96/08/591829608.db2.gz SSQDYAHTJITUKQ-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)/C=C\C2CC2)CCO1 ZINC000800176136 591831665 /nfs/dbraw/zinc/83/16/65/591831665.db2.gz YKYVGLRIWSOVPS-DOGVGXBMSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)/C=C\C2CC2)CCO1 ZINC000800176136 591831667 /nfs/dbraw/zinc/83/16/67/591831667.db2.gz YKYVGLRIWSOVPS-DOGVGXBMSA-N 1 2 239.315 1.217 20 0 BDADLO CC[S@](=O)CC[NH2+][C@H](C)c1cn[nH]c1C ZINC000134561581 591938030 /nfs/dbraw/zinc/93/80/30/591938030.db2.gz SZHHLWXAQMCRIY-ANRSDYALSA-N 1 2 229.349 1.137 20 0 BDADLO CC[S@@](=O)CC[NH2+][C@H](C)c1cn[nH]c1C ZINC000134561560 591938769 /nfs/dbraw/zinc/93/87/69/591938769.db2.gz SZHHLWXAQMCRIY-GLEZIHRCSA-N 1 2 229.349 1.137 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccoc2)s1 ZINC000134663802 591946666 /nfs/dbraw/zinc/94/66/66/591946666.db2.gz HMDRFDOFZOSBCX-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CCc1nc(NCCNc2ccn(C)n2)cc[nH+]1 ZINC000884487809 591955124 /nfs/dbraw/zinc/95/51/24/591955124.db2.gz FQLDOJXRLLHZSF-UHFFFAOYSA-N 1 2 246.318 1.297 20 0 BDADLO CCc1nc(NC[C@H](CO)C(C)C)cc[nH+]1 ZINC000884508797 591961432 /nfs/dbraw/zinc/96/14/32/591961432.db2.gz OSEMQCMNLPGPBC-SNVBAGLBSA-N 1 2 223.320 1.715 20 0 BDADLO CCc1nc(N[C@H](C)[C@@H](C)OC)cc[nH+]1 ZINC000884511822 591962090 /nfs/dbraw/zinc/96/20/90/591962090.db2.gz QLLBUSYNAXCWNR-RKDXNWHRSA-N 1 2 209.293 1.874 20 0 BDADLO CCc1nc(N(CC)C[C@H](C)OC)cc[nH+]1 ZINC000884512792 591962365 /nfs/dbraw/zinc/96/23/65/591962365.db2.gz PWNDSHPCAPVYAM-JTQLQIEISA-N 1 2 223.320 1.900 20 0 BDADLO CCc1nc(NC[C@@H](OC)C2CC2)cc[nH+]1 ZINC000884516451 591963090 /nfs/dbraw/zinc/96/30/90/591963090.db2.gz LAAQMFGWGQDUAG-SNVBAGLBSA-N 1 2 221.304 1.876 20 0 BDADLO CCc1nc(N2CC[C@@](O)(C(F)F)C2)cc[nH+]1 ZINC000884519984 591963784 /nfs/dbraw/zinc/96/37/84/591963784.db2.gz JJNOWWMFJHPITO-NSHDSACASA-N 1 2 243.257 1.245 20 0 BDADLO CCc1nc(NCc2nnc(C(C)C)[nH]2)cc[nH+]1 ZINC000884518890 591964058 /nfs/dbraw/zinc/96/40/58/591964058.db2.gz CYYGDQOTGQUXMT-UHFFFAOYSA-N 1 2 246.318 1.893 20 0 BDADLO CCc1nc(N2CCC[C@@H](O)CC2)cc[nH+]1 ZINC000884517376 591964195 /nfs/dbraw/zinc/96/41/95/591964195.db2.gz LQGURUFWLBKHED-SNVBAGLBSA-N 1 2 221.304 1.390 20 0 BDADLO CCc1nc(N2CC[C@@H](c3nnc[nH]3)C2)cc[nH+]1 ZINC000884536117 591970652 /nfs/dbraw/zinc/97/06/52/591970652.db2.gz SRQHTKGZOSDFDP-SECBINFHSA-N 1 2 244.302 1.151 20 0 BDADLO CCc1nc(N(C)Cc2nc(C)no2)cc[nH+]1 ZINC000884548994 591976772 /nfs/dbraw/zinc/97/67/72/591976772.db2.gz XYBHBCVJBBHJCV-UHFFFAOYSA-N 1 2 233.275 1.367 20 0 BDADLO CCc1nc(NCc2cn(CC)nn2)cc[nH+]1 ZINC000884555821 591978543 /nfs/dbraw/zinc/97/85/43/591978543.db2.gz AWUHPKCZNFRKBT-UHFFFAOYSA-N 1 2 232.291 1.263 20 0 BDADLO CCc1nc(NCCN(C)C(=O)OC)cc[nH+]1 ZINC000884558339 591979161 /nfs/dbraw/zinc/97/91/61/591979161.db2.gz QGXAQOAINQLKGC-UHFFFAOYSA-N 1 2 238.291 1.149 20 0 BDADLO CCc1nc(N[C@H]2CC=C(C(=O)OC)C2)cc[nH+]1 ZINC000884564071 591982267 /nfs/dbraw/zinc/98/22/67/591982267.db2.gz WVXCEIVWXYIGBX-JTQLQIEISA-N 1 2 247.298 1.713 20 0 BDADLO CCc1nc(N2C[C@@H](O)CC(C)(C)C2)cc[nH+]1 ZINC000884574791 591985236 /nfs/dbraw/zinc/98/52/36/591985236.db2.gz TYCCCNUAUIEIJD-JTQLQIEISA-N 1 2 235.331 1.636 20 0 BDADLO Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)nc[nH+]1 ZINC000884644663 592001469 /nfs/dbraw/zinc/00/14/69/592001469.db2.gz WVWFVTXTCBAMNP-AOOOYVTPSA-N 1 2 221.329 1.584 20 0 BDADLO CCc1nc(N2C[C@@H]3CSC[C@@H]3C2)cc[nH+]1 ZINC000884644093 592001843 /nfs/dbraw/zinc/00/18/43/592001843.db2.gz CYYBIPMLSMCBKI-AOOOYVTPSA-N 1 2 235.356 1.838 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000135409031 592012616 /nfs/dbraw/zinc/01/26/16/592012616.db2.gz UEORYJANWCAIEV-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000135409031 592012619 /nfs/dbraw/zinc/01/26/19/592012619.db2.gz UEORYJANWCAIEV-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO Cc1cc(N2CC[C@H]([C@H]3CCCO3)C2)nc[nH+]1 ZINC000884730704 592016051 /nfs/dbraw/zinc/01/60/51/592016051.db2.gz MNJOOYUGFSKROZ-NWDGAFQWSA-N 1 2 233.315 1.790 20 0 BDADLO COCCOC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000885219737 592058572 /nfs/dbraw/zinc/05/85/72/592058572.db2.gz BLQGOCHUKWVKOT-DTWKUNHWSA-N 1 2 239.275 1.262 20 0 BDADLO C[C@](O)(C[N@@H+]1CCC=C(F)C1)C(F)F ZINC000886102788 592155473 /nfs/dbraw/zinc/15/54/73/592155473.db2.gz QMLHMUIUIDTWTA-VIFPVBQESA-N 1 2 209.211 1.562 20 0 BDADLO C[C@](O)(C[N@H+]1CCC=C(F)C1)C(F)F ZINC000886102788 592155476 /nfs/dbraw/zinc/15/54/76/592155476.db2.gz QMLHMUIUIDTWTA-VIFPVBQESA-N 1 2 209.211 1.562 20 0 BDADLO FC1(F)COCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886207740 592176934 /nfs/dbraw/zinc/17/69/34/592176934.db2.gz LCYDQPKBUMWLKM-GHMZBOCLSA-N 1 2 247.285 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886207740 592176935 /nfs/dbraw/zinc/17/69/35/592176935.db2.gz LCYDQPKBUMWLKM-GHMZBOCLSA-N 1 2 247.285 1.381 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ncco1 ZINC000886273678 592193968 /nfs/dbraw/zinc/19/39/68/592193968.db2.gz DRGPWBYZTMUMAZ-VHSXEESVSA-N 1 2 221.304 1.562 20 0 BDADLO C(c1nnc(C2CC2)s1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348077 592213950 /nfs/dbraw/zinc/21/39/50/592213950.db2.gz FYKSCYDMVZNQOE-DTORHVGOSA-N 1 2 221.329 1.867 20 0 BDADLO C(c1nnc(C2CC2)s1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348077 592213951 /nfs/dbraw/zinc/21/39/51/592213951.db2.gz FYKSCYDMVZNQOE-DTORHVGOSA-N 1 2 221.329 1.867 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1c[nH]cn1 ZINC000886439426 592226088 /nfs/dbraw/zinc/22/60/88/592226088.db2.gz XHRWHTMVNXYLBM-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1c[nH]cn1 ZINC000886439426 592226089 /nfs/dbraw/zinc/22/60/89/592226089.db2.gz XHRWHTMVNXYLBM-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cnc[nH]1 ZINC000886439426 592226090 /nfs/dbraw/zinc/22/60/90/592226090.db2.gz XHRWHTMVNXYLBM-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cnc[nH]1 ZINC000886439426 592226091 /nfs/dbraw/zinc/22/60/91/592226091.db2.gz XHRWHTMVNXYLBM-CQSZACIVSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1c[nH]cn1 ZINC000886439425 592226362 /nfs/dbraw/zinc/22/63/62/592226362.db2.gz XHRWHTMVNXYLBM-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1c[nH]cn1 ZINC000886439425 592226365 /nfs/dbraw/zinc/22/63/65/592226365.db2.gz XHRWHTMVNXYLBM-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cnc[nH]1 ZINC000886439425 592226367 /nfs/dbraw/zinc/22/63/67/592226367.db2.gz XHRWHTMVNXYLBM-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cnc[nH]1 ZINC000886439425 592226370 /nfs/dbraw/zinc/22/63/70/592226370.db2.gz XHRWHTMVNXYLBM-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO C[C@@H](NCC[NH+]1CCSCC1)c1ncco1 ZINC000886533063 592248779 /nfs/dbraw/zinc/24/87/79/592248779.db2.gz UEYLDHOEKHGKHF-SNVBAGLBSA-N 1 2 241.360 1.374 20 0 BDADLO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ncco1 ZINC000886533330 592249756 /nfs/dbraw/zinc/24/97/56/592249756.db2.gz YVWRYCGGIRFRIR-VIFPVBQESA-N 1 2 246.332 1.150 20 0 BDADLO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ncco1 ZINC000886539420 592254272 /nfs/dbraw/zinc/25/42/72/592254272.db2.gz ZDLGCAVVQWLCEW-XPUUQOCRSA-N 1 2 238.209 1.639 20 0 BDADLO C/C=C\C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886608106 592273869 /nfs/dbraw/zinc/27/38/69/592273869.db2.gz JYVXFQVZGIZDIQ-HYXAFXHYSA-N 1 2 219.288 1.364 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1C[C@@H]1C)C2 ZINC000886614759 592275363 /nfs/dbraw/zinc/27/53/63/592275363.db2.gz JJNZODVPCMQFJF-UWVGGRQHSA-N 1 2 233.315 1.444 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1CC1(C)C)C2 ZINC000886618259 592277658 /nfs/dbraw/zinc/27/76/58/592277658.db2.gz TVBRQLYTJXXURA-JTQLQIEISA-N 1 2 247.342 1.834 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000886627869 592280677 /nfs/dbraw/zinc/28/06/77/592280677.db2.gz YGQPJURBMUROGF-UHFFFAOYSA-N 1 2 244.298 1.430 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)CCC(C)=O)C2 ZINC000886629122 592281408 /nfs/dbraw/zinc/28/14/08/592281408.db2.gz TVWWUQAMZJRSIZ-UHFFFAOYSA-N 1 2 249.314 1.157 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886676550 592299166 /nfs/dbraw/zinc/29/91/66/592299166.db2.gz IYQGVCCWLFNYMV-MNOVXSKESA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886676550 592299169 /nfs/dbraw/zinc/29/91/69/592299169.db2.gz IYQGVCCWLFNYMV-MNOVXSKESA-N 1 2 249.314 1.218 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687920 592303644 /nfs/dbraw/zinc/30/36/44/592303644.db2.gz HHBHRGIBNJLCOT-JTQLQIEISA-N 1 2 245.286 1.239 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687920 592303650 /nfs/dbraw/zinc/30/36/50/592303650.db2.gz HHBHRGIBNJLCOT-JTQLQIEISA-N 1 2 245.286 1.239 20 0 BDADLO OCC[C@@H](N[C@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000886803439 592333206 /nfs/dbraw/zinc/33/32/06/592333206.db2.gz JINNPMCHIVMKMT-JGVFFNPUSA-N 1 2 249.236 1.231 20 0 BDADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCF ZINC000886962722 592402398 /nfs/dbraw/zinc/40/23/98/592402398.db2.gz CRZFVAXFFNRBKW-QWRGUYRKSA-N 1 2 247.310 1.436 20 0 BDADLO CCOC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886974342 592403802 /nfs/dbraw/zinc/40/38/02/592403802.db2.gz WWZHHKXZQDUQRJ-UHFFFAOYSA-N 1 2 241.331 1.224 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000887033011 592425994 /nfs/dbraw/zinc/42/59/94/592425994.db2.gz IYSIQIDCVMIISY-MISXGVKJSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000887033171 592426585 /nfs/dbraw/zinc/42/65/85/592426585.db2.gz VUUFBEHXBRWFJK-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCC=C(C)C ZINC000887077585 592436387 /nfs/dbraw/zinc/43/63/87/592436387.db2.gz PECIXWLSMPBNKN-NSHDSACASA-N 1 2 243.372 1.933 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CCC=C(C)C ZINC000887077585 592436392 /nfs/dbraw/zinc/43/63/92/592436392.db2.gz PECIXWLSMPBNKN-NSHDSACASA-N 1 2 243.372 1.933 20 0 BDADLO CCc1cnc(NC(=O)/C=C/c2cn(C)c[nH+]2)o1 ZINC000887233785 592468133 /nfs/dbraw/zinc/46/81/33/592468133.db2.gz CZHUDUZNLZBGBY-SNAWJCMRSA-N 1 2 246.270 1.622 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C3(O)CCC3)CC2)c[nH+]1 ZINC000887528251 592518202 /nfs/dbraw/zinc/51/82/02/592518202.db2.gz INTJWFGORKPLRU-UHFFFAOYSA-N 1 2 249.314 1.143 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](C)[C@H]2C)c(C)c[nH+]1 ZINC000887935810 592560484 /nfs/dbraw/zinc/56/04/84/592560484.db2.gz KLIWJBOXCKLNFZ-GXSJLCMTSA-N 1 2 233.315 1.992 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109264 592674641 /nfs/dbraw/zinc/67/46/41/592674641.db2.gz IKDYJQQUMQLZPT-SNVBAGLBSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000890100523 592679348 /nfs/dbraw/zinc/67/93/48/592679348.db2.gz XHBWBTMXTAFVSR-ZWNOBZJWSA-N 1 2 233.315 1.617 20 0 BDADLO CCO[C@H](C(=O)NCc1cn(C)c[nH+]1)C(C)C ZINC000890103295 592679800 /nfs/dbraw/zinc/67/98/00/592679800.db2.gz IOMNRCUQLWFQCD-NSHDSACASA-N 1 2 239.319 1.097 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1 ZINC000890103326 592680017 /nfs/dbraw/zinc/68/00/17/592680017.db2.gz JBRPMDPINYCCES-GHMZBOCLSA-N 1 2 235.331 1.719 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000890103903 592680148 /nfs/dbraw/zinc/68/01/48/592680148.db2.gz QVRLFSANCCKQNO-MYJAWHEDSA-N 1 2 219.288 1.082 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CC3(CC3)C2)c1 ZINC000890104055 592680276 /nfs/dbraw/zinc/68/02/76/592680276.db2.gz UKHPWAYLYGMNQW-UHFFFAOYSA-N 1 2 219.288 1.227 20 0 BDADLO CC(C(=O)NCc1cn(C)c[nH+]1)=C1CCC1 ZINC000890104124 592680503 /nfs/dbraw/zinc/68/05/03/592680503.db2.gz HXLDEUKRNSORQU-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)nc1C ZINC000890104401 592680633 /nfs/dbraw/zinc/68/06/33/592680633.db2.gz KQEZXKYKCGLPGQ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1coc(C)c1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107195 592681003 /nfs/dbraw/zinc/68/10/03/592681003.db2.gz JJDPCOFMDDWOEU-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CCCC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890105123 592681233 /nfs/dbraw/zinc/68/12/33/592681233.db2.gz WTESZTSXWNRGNI-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104852 592681918 /nfs/dbraw/zinc/68/19/18/592681918.db2.gz RNILWBKCFQFGSI-ZWNOBZJWSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCCC(F)(F)F)c1 ZINC000890109157 592683305 /nfs/dbraw/zinc/68/33/05/592683305.db2.gz DWTFDYMHDWTHJY-UHFFFAOYSA-N 1 2 249.236 1.769 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890109517 592683451 /nfs/dbraw/zinc/68/34/51/592683451.db2.gz DBZXDJMKHACUSM-SNVBAGLBSA-N 1 2 247.298 1.741 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110092 592683868 /nfs/dbraw/zinc/68/38/68/592683868.db2.gz WWCNPKLAPZZEQD-NXEZZACHSA-N 1 2 221.304 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C/C2CC2)c1 ZINC000890109663 592684232 /nfs/dbraw/zinc/68/42/32/592684232.db2.gz FBVMRJQGEHUOKJ-SNAWJCMRSA-N 1 2 205.261 1.003 20 0 BDADLO CC1=C(C(=O)NCc2cn(C)c[nH+]2)CCC1 ZINC000890110800 592684476 /nfs/dbraw/zinc/68/44/76/592684476.db2.gz VTXCLOCGEODXFY-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO CCC(CC)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890110584 592684744 /nfs/dbraw/zinc/68/47/44/592684744.db2.gz QXJFIGAENGDDGV-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC2(Cl)Cl)c1 ZINC000890117695 592685128 /nfs/dbraw/zinc/68/51/28/592685128.db2.gz RCWRKQJWOIKUPY-ZETCQYMHSA-N 1 2 248.113 1.230 20 0 BDADLO CCC(CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890117822 592685539 /nfs/dbraw/zinc/68/55/39/592685539.db2.gz ZNQBZSXLJYOMDW-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO CC(C)COCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890117232 592685576 /nfs/dbraw/zinc/68/55/76/592685576.db2.gz NNQRFZJHOANURM-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000379912066 598103915 /nfs/dbraw/zinc/10/39/15/598103915.db2.gz MZANBNGRMQUAIW-UHFFFAOYSA-N 1 2 242.363 1.560 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000379912066 598103916 /nfs/dbraw/zinc/10/39/16/598103916.db2.gz MZANBNGRMQUAIW-UHFFFAOYSA-N 1 2 242.363 1.560 20 0 BDADLO Cc1[nH+]c(NCCn2cc[nH+]c2)ccc1C(=O)[O-] ZINC000124204902 634400635 /nfs/dbraw/zinc/40/06/35/634400635.db2.gz LFJUMFVBLWZYLD-UHFFFAOYSA-N 1 2 246.270 1.397 20 0 BDADLO CCN(C(=O)c1oncc1C)C1C[NH+](CC)C1 ZINC000957085187 634480720 /nfs/dbraw/zinc/48/07/20/634480720.db2.gz DIFMVDTZIRDNDZ-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO C/C=C\[C@@H](O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000909391810 634601873 /nfs/dbraw/zinc/60/18/73/634601873.db2.gz XMWDCKWCBPBBPN-QMAVJUDZSA-N 1 2 234.299 1.252 20 0 BDADLO C[C@@H](O)CCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000227715871 635453449 /nfs/dbraw/zinc/45/34/49/635453449.db2.gz LHDAKPPSGKZBJB-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000074673313 631236618 /nfs/dbraw/zinc/23/66/18/631236618.db2.gz WWWYVLTXJAVUCU-UWVGGRQHSA-N 1 2 221.304 1.742 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1=CCCCO1 ZINC000178085327 631288517 /nfs/dbraw/zinc/28/85/17/631288517.db2.gz FFGZZQGUQZUKRF-UHFFFAOYSA-N 1 2 249.314 1.426 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308390749 631310500 /nfs/dbraw/zinc/31/05/00/631310500.db2.gz KGQWVIBCKHVRCR-VIFPVBQESA-N 1 2 219.288 1.326 20 0 BDADLO CC(C)(C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308374644 631312883 /nfs/dbraw/zinc/31/28/83/631312883.db2.gz JLKPAPHNVGFLHU-UHFFFAOYSA-N 1 2 207.277 1.326 20 0 BDADLO CC[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308379087 631313928 /nfs/dbraw/zinc/31/39/28/631313928.db2.gz QMAAJSRATDTBSH-MRVPVSSYSA-N 1 2 207.277 1.326 20 0 BDADLO Cc1nc(NCCOC2CCC2)cc[nH+]1 ZINC000078516990 631347494 /nfs/dbraw/zinc/34/74/94/631347494.db2.gz LOUJOFSFWHMIMT-UHFFFAOYSA-N 1 2 207.277 1.766 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000891699656 631454367 /nfs/dbraw/zinc/45/43/67/631454367.db2.gz RYYUIRPJMAHVJZ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000891699656 631454370 /nfs/dbraw/zinc/45/43/70/631454370.db2.gz RYYUIRPJMAHVJZ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO CNc1cc(N(C)Cc2c(C)noc2C)nc[nH+]1 ZINC000891762396 631478954 /nfs/dbraw/zinc/47/89/54/631478954.db2.gz PEMPWZKOFUQAHF-UHFFFAOYSA-N 1 2 247.302 1.760 20 0 BDADLO CNc1cc(N(C)Cc2c(C)noc2C)[nH+]cn1 ZINC000891762396 631478957 /nfs/dbraw/zinc/47/89/57/631478957.db2.gz PEMPWZKOFUQAHF-UHFFFAOYSA-N 1 2 247.302 1.760 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1c(F)cccc1F ZINC000934014729 631587401 /nfs/dbraw/zinc/58/74/01/631587401.db2.gz OEKULDUPVLSNJF-QMMMGPOBSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1c(F)cccc1F ZINC000934014729 631587411 /nfs/dbraw/zinc/58/74/11/631587411.db2.gz OEKULDUPVLSNJF-QMMMGPOBSA-N 1 2 213.227 1.531 20 0 BDADLO Cn1c2ccccc2nc1C[N@@H+]1CC[C@H]1CO ZINC000934015944 631610173 /nfs/dbraw/zinc/61/01/73/631610173.db2.gz CUTPLBXJEXTVJQ-JTQLQIEISA-N 1 2 231.299 1.140 20 0 BDADLO Cn1c2ccccc2nc1C[N@H+]1CC[C@H]1CO ZINC000934015944 631610179 /nfs/dbraw/zinc/61/01/79/631610179.db2.gz CUTPLBXJEXTVJQ-JTQLQIEISA-N 1 2 231.299 1.140 20 0 BDADLO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2CO)c1F ZINC000934017110 631613001 /nfs/dbraw/zinc/61/30/01/631613001.db2.gz YQJYIEZDFOYLOB-SECBINFHSA-N 1 2 227.254 1.840 20 0 BDADLO Cc1ccc(F)c(C[N@H+]2CC[C@@H]2CO)c1F ZINC000934017110 631613005 /nfs/dbraw/zinc/61/30/05/631613005.db2.gz YQJYIEZDFOYLOB-SECBINFHSA-N 1 2 227.254 1.840 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000934032087 631631814 /nfs/dbraw/zinc/63/18/14/631631814.db2.gz UFEROKJAXPEZHP-JTQLQIEISA-N 1 2 234.255 1.501 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000934032087 631631817 /nfs/dbraw/zinc/63/18/17/631631817.db2.gz UFEROKJAXPEZHP-JTQLQIEISA-N 1 2 234.255 1.501 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cnns1 ZINC000934107283 631676357 /nfs/dbraw/zinc/67/63/57/631676357.db2.gz LCELUDQDSKTQDW-IUCAKERBSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cnns1 ZINC000934107283 631676359 /nfs/dbraw/zinc/67/63/59/631676359.db2.gz LCELUDQDSKTQDW-IUCAKERBSA-N 1 2 213.306 1.147 20 0 BDADLO CCOC(=O)C[N@H+](CCC(C)=O)C(C)C ZINC000178480595 631686558 /nfs/dbraw/zinc/68/65/58/631686558.db2.gz YCPUHCAGJGYNJE-UHFFFAOYSA-N 1 2 215.293 1.239 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(C)=O)C(C)C ZINC000178480595 631686562 /nfs/dbraw/zinc/68/65/62/631686562.db2.gz YCPUHCAGJGYNJE-UHFFFAOYSA-N 1 2 215.293 1.239 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cscn1)C(F)(F)F ZINC000308930706 631746767 /nfs/dbraw/zinc/74/67/67/631746767.db2.gz JLXHPOHJMWBAEO-ZETCQYMHSA-N 1 2 240.250 1.810 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934395865 631821078 /nfs/dbraw/zinc/82/10/78/631821078.db2.gz MMIOQVRHNHVYGM-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC000934585036 631956487 /nfs/dbraw/zinc/95/64/87/631956487.db2.gz SLFCNWWRGZTCSK-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1F ZINC000934585036 631956493 /nfs/dbraw/zinc/95/64/93/631956493.db2.gz SLFCNWWRGZTCSK-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO COC[C@@H]([NH2+]CC(=O)OCC(C)C)C(C)C ZINC000309454833 632098773 /nfs/dbraw/zinc/09/87/73/632098773.db2.gz MBRVFXSEXQJZHL-LLVKDONJSA-N 1 2 231.336 1.446 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000926502216 632397577 /nfs/dbraw/zinc/39/75/77/632397577.db2.gz DCCSNXGOVDDAIA-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Nc1ccc(CCC(=O)OC/C=C/Cl)c[nH+]1 ZINC000309531958 632474436 /nfs/dbraw/zinc/47/44/36/632474436.db2.gz DDGFBIJFDXGSEA-LZCJLJQNSA-N 1 2 240.690 1.892 20 0 BDADLO OC[C@@]1(O)CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000313644572 632493403 /nfs/dbraw/zinc/49/34/03/632493403.db2.gz SXXPZGGUBKTIME-VGANXODHSA-N 1 2 240.130 1.125 20 0 BDADLO OC[C@@]1(O)CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000313644572 632493409 /nfs/dbraw/zinc/49/34/09/632493409.db2.gz SXXPZGGUBKTIME-VGANXODHSA-N 1 2 240.130 1.125 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2nccnc2C)cn1 ZINC000235230522 632564757 /nfs/dbraw/zinc/56/47/57/632564757.db2.gz HLLYMLYRIKYIKX-LLVKDONJSA-N 1 2 243.314 1.734 20 0 BDADLO CC(C)OCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935373432 632709979 /nfs/dbraw/zinc/70/99/79/632709979.db2.gz LNKQIZDSHZFBGU-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c(C)o1 ZINC000092042201 632819852 /nfs/dbraw/zinc/81/98/52/632819852.db2.gz JCSQFWHPYHUXKW-ZANVPECISA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c(C)o1 ZINC000092042201 632819858 /nfs/dbraw/zinc/81/98/58/632819858.db2.gz JCSQFWHPYHUXKW-ZANVPECISA-N 1 2 239.315 1.478 20 0 BDADLO Cc1c[nH]nc1NC(=O)CCc1c[nH+]cn1C ZINC000339177555 635833284 /nfs/dbraw/zinc/83/32/84/635833284.db2.gz UWBPLOLGMZXYHF-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO CC(C)(C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC000309335373 632943976 /nfs/dbraw/zinc/94/39/76/632943976.db2.gz IWBMOHOKYRXAKW-ZCFIWIBFSA-N 1 2 244.232 1.391 20 0 BDADLO CC(C)(C)[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC000309335373 632943980 /nfs/dbraw/zinc/94/39/80/632943980.db2.gz IWBMOHOKYRXAKW-ZCFIWIBFSA-N 1 2 244.232 1.391 20 0 BDADLO CCC[C@H](C)[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894381696 635874474 /nfs/dbraw/zinc/87/44/74/635874474.db2.gz ITXHHAGZKYTASP-VHSXEESVSA-N 1 2 238.335 1.727 20 0 BDADLO CCC[C@H](C)[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894381696 635874478 /nfs/dbraw/zinc/87/44/78/635874478.db2.gz ITXHHAGZKYTASP-VHSXEESVSA-N 1 2 238.335 1.727 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000162173006 633023908 /nfs/dbraw/zinc/02/39/08/633023908.db2.gz QXOXARWQPKNCRU-NWDGAFQWSA-N 1 2 245.363 1.715 20 0 BDADLO CO[C@H](C[NH2+][C@H](C)c1ncc[nH]1)C(F)(F)F ZINC000309414895 633035974 /nfs/dbraw/zinc/03/59/74/633035974.db2.gz CKAMVLIVMWLHAM-RNFRBKRXSA-N 1 2 237.225 1.638 20 0 BDADLO CNc1cc(N[C@H]2CCCSC2)nc[nH+]1 ZINC000122169698 633072460 /nfs/dbraw/zinc/07/24/60/633072460.db2.gz MXOVBNJFORVFPJ-QMMMGPOBSA-N 1 2 224.333 1.826 20 0 BDADLO CNc1cc(N[C@H]2CCCSC2)[nH+]cn1 ZINC000122169698 633072465 /nfs/dbraw/zinc/07/24/65/633072465.db2.gz MXOVBNJFORVFPJ-QMMMGPOBSA-N 1 2 224.333 1.826 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CCCS2)cc[nH+]1 ZINC000309559587 633198927 /nfs/dbraw/zinc/19/89/27/633198927.db2.gz NZFPYTJWQHOGSI-VIFPVBQESA-N 1 2 238.312 1.603 20 0 BDADLO CNc1cc(N[C@@H](C)C[C@@H]2CCOC2)[nH+]cn1 ZINC000892911403 633243405 /nfs/dbraw/zinc/24/34/05/633243405.db2.gz PPDVFTOYKDFHRM-UWVGGRQHSA-N 1 2 236.319 1.745 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029201117 636022742 /nfs/dbraw/zinc/02/27/42/636022742.db2.gz YZMYYFVLNXNBFI-YFKTTZPYSA-N 1 2 240.322 1.287 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029201117 636022745 /nfs/dbraw/zinc/02/27/45/636022745.db2.gz YZMYYFVLNXNBFI-YFKTTZPYSA-N 1 2 240.322 1.287 20 0 BDADLO FC1=CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893102601 633835183 /nfs/dbraw/zinc/83/51/83/633835183.db2.gz AHIFSHUJKSNBRE-UHFFFAOYSA-N 1 2 218.235 1.793 20 0 BDADLO Nc1cc(COC(=O)c2ccoc2)cc[nH+]1 ZINC000309589397 633961636 /nfs/dbraw/zinc/96/16/36/633961636.db2.gz YDAZFHIWPVCEDF-UHFFFAOYSA-N 1 2 218.212 1.614 20 0 BDADLO CCC1(CC)[C@H]([NH2+][C@@H]2CCOC2=O)C[C@H]1OC ZINC000178366768 634023263 /nfs/dbraw/zinc/02/32/63/634023263.db2.gz DIKDFNDQRSBDGU-GMTAPVOTSA-N 1 2 241.331 1.485 20 0 BDADLO CCC[C@@H]([NH2+]C1CC(C(F)F)C1)C(=O)OC ZINC000310038744 634102676 /nfs/dbraw/zinc/10/26/76/634102676.db2.gz WJVZSNZZOFCWBU-AMDVSUOASA-N 1 2 235.274 1.961 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000931165503 634237397 /nfs/dbraw/zinc/23/73/97/634237397.db2.gz LQEKVIKPMOEUDT-AWEZNQCLSA-N 1 2 249.310 1.513 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCO[C@H]1CCOC1)C2 ZINC000931165503 634237404 /nfs/dbraw/zinc/23/74/04/634237404.db2.gz LQEKVIKPMOEUDT-AWEZNQCLSA-N 1 2 249.310 1.513 20 0 BDADLO CC[C@H]([NH2+]CC(C)(C)SC)C(=O)OC ZINC000186386816 635161645 /nfs/dbraw/zinc/16/16/45/635161645.db2.gz XHSAZNMBEWIQAR-QMMMGPOBSA-N 1 2 219.350 1.669 20 0 BDADLO C[C@@H](C(=O)N1CCC[N@H+](CCF)CC1)C1CC1 ZINC000980916170 635299402 /nfs/dbraw/zinc/29/94/02/635299402.db2.gz NTLIDPLPBORZTN-LLVKDONJSA-N 1 2 242.338 1.536 20 0 BDADLO C[C@@H](C(=O)N1CCC[N@@H+](CCF)CC1)C1CC1 ZINC000980916170 635299413 /nfs/dbraw/zinc/29/94/13/635299413.db2.gz NTLIDPLPBORZTN-LLVKDONJSA-N 1 2 242.338 1.536 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094369905 635314188 /nfs/dbraw/zinc/31/41/88/635314188.db2.gz SDTTUXJMHMTHHK-MNOVXSKESA-N 1 2 241.331 1.629 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[N@@H+](CCF)CC1 ZINC000981219296 635333908 /nfs/dbraw/zinc/33/39/08/635333908.db2.gz IAEQBTYXJRESLS-UHFFFAOYSA-N 1 2 239.294 1.132 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC[N@H+](CCF)CC1 ZINC000981219296 635333914 /nfs/dbraw/zinc/33/39/14/635333914.db2.gz IAEQBTYXJRESLS-UHFFFAOYSA-N 1 2 239.294 1.132 20 0 BDADLO CC[C@H](CO)[NH2+][C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000931772188 635334952 /nfs/dbraw/zinc/33/49/52/635334952.db2.gz KTZZGOJWMNICHZ-GHMZBOCLSA-N 1 2 243.347 1.467 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC[N@@H+](CCF)CC1 ZINC000982028779 635474565 /nfs/dbraw/zinc/47/45/65/635474565.db2.gz FYIRGQLNIMYUNC-NSHDSACASA-N 1 2 240.322 1.290 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC[N@H+](CCF)CC1 ZINC000982028779 635474569 /nfs/dbraw/zinc/47/45/69/635474569.db2.gz FYIRGQLNIMYUNC-NSHDSACASA-N 1 2 240.322 1.290 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ocnc1C ZINC000894172990 635740430 /nfs/dbraw/zinc/74/04/30/635740430.db2.gz WSROKRLZCMBGGE-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1nc(NCC2CCC=CCC2)nc(N)[nH+]1 ZINC000896549882 636202428 /nfs/dbraw/zinc/20/24/28/636202428.db2.gz NGQPPEFIECVNKU-UHFFFAOYSA-N 1 2 233.319 1.921 20 0 BDADLO Cc1nc(N)nc(NCC2CCC=CCC2)[nH+]1 ZINC000896549882 636202431 /nfs/dbraw/zinc/20/24/31/636202431.db2.gz NGQPPEFIECVNKU-UHFFFAOYSA-N 1 2 233.319 1.921 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000929118788 636810732 /nfs/dbraw/zinc/81/07/32/636810732.db2.gz RXYBGRYYNFRAJO-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000929118788 636810737 /nfs/dbraw/zinc/81/07/37/636810737.db2.gz RXYBGRYYNFRAJO-WDEREUQCSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@](C)(CC)OC ZINC000322691442 636877382 /nfs/dbraw/zinc/87/73/82/636877382.db2.gz KVIWYBTVDAVOCT-ONGXEEELSA-N 1 2 217.309 1.343 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2cnn(C)n2)ccn1 ZINC000924630100 636947406 /nfs/dbraw/zinc/94/74/06/636947406.db2.gz WVHHQQWNLVWMFP-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923920931 636986681 /nfs/dbraw/zinc/98/66/81/636986681.db2.gz JDQLVUIJNGYVIU-DOLQZWNJSA-N 1 2 237.303 1.585 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923920931 636986685 /nfs/dbraw/zinc/98/66/85/636986685.db2.gz JDQLVUIJNGYVIU-DOLQZWNJSA-N 1 2 237.303 1.585 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCC(=O)C1CC1 ZINC000923890169 637000480 /nfs/dbraw/zinc/00/04/80/637000480.db2.gz WWKRVXIHDKBMEQ-LLVKDONJSA-N 1 2 239.315 1.382 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC(=O)C1CC1 ZINC000923890169 637000486 /nfs/dbraw/zinc/00/04/86/637000486.db2.gz WWKRVXIHDKBMEQ-LLVKDONJSA-N 1 2 239.315 1.382 20 0 BDADLO CC[C@@H](OC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)=O ZINC000923891570 637005559 /nfs/dbraw/zinc/00/55/59/637005559.db2.gz NKWVHLVLISSSNI-VXGBXAGGSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@@H](OC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)=O ZINC000923891570 637005562 /nfs/dbraw/zinc/00/55/62/637005562.db2.gz NKWVHLVLISSSNI-VXGBXAGGSA-N 1 2 241.331 1.770 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923893801 637014557 /nfs/dbraw/zinc/01/45/57/637014557.db2.gz OOGXFMQLDOFDFB-MNOVXSKESA-N 1 2 227.304 1.380 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923893801 637014563 /nfs/dbraw/zinc/01/45/63/637014563.db2.gz OOGXFMQLDOFDFB-MNOVXSKESA-N 1 2 227.304 1.380 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1CC12CC2 ZINC000898502242 637046692 /nfs/dbraw/zinc/04/66/92/637046692.db2.gz CJXYKUYZJVCZNH-GHMZBOCLSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1CC12CC2 ZINC000898502242 637046701 /nfs/dbraw/zinc/04/67/01/637046701.db2.gz CJXYKUYZJVCZNH-GHMZBOCLSA-N 1 2 240.322 1.337 20 0 BDADLO CC[NH+]1CCN(C(=O)C(=O)C(C)(C)CC)CC1 ZINC000899907577 637151897 /nfs/dbraw/zinc/15/18/97/637151897.db2.gz IGDWUBKEJVQOPZ-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900904788 637198645 /nfs/dbraw/zinc/19/86/45/637198645.db2.gz UFGVIWOABDZEKZ-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO CN(C)c1cc(COc2cncnc2)cc[nH+]1 ZINC000901704064 637270582 /nfs/dbraw/zinc/27/05/82/637270582.db2.gz QCDTVBNZONLARJ-UHFFFAOYSA-N 1 2 230.271 1.517 20 0 BDADLO CC(=O)c1nccn1Cc1ccc(N(C)C)[nH+]c1 ZINC000902368845 637297250 /nfs/dbraw/zinc/29/72/50/637297250.db2.gz SXEKCKBEVRDMQN-UHFFFAOYSA-N 1 2 244.298 1.595 20 0 BDADLO CN(C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000436092745 637307038 /nfs/dbraw/zinc/30/70/38/637307038.db2.gz YHGRVUMKRLVQRR-SNVBAGLBSA-N 1 2 236.319 1.281 20 0 BDADLO CCc1c(C)on(Cc2c[nH+]cn2C)c1=O ZINC000902581923 637309740 /nfs/dbraw/zinc/30/97/40/637309740.db2.gz OCDNVXYFSWZLIW-UHFFFAOYSA-N 1 2 221.260 1.094 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927409575 637393166 /nfs/dbraw/zinc/39/31/66/637393166.db2.gz YTXIMJXGSNSOGW-YPMHNXCESA-N 1 2 247.342 1.895 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927409575 637393168 /nfs/dbraw/zinc/39/31/68/637393168.db2.gz YTXIMJXGSNSOGW-YPMHNXCESA-N 1 2 247.342 1.895 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1(C2CC2)CCC1 ZINC000905045843 637564957 /nfs/dbraw/zinc/56/49/57/637564957.db2.gz GQTJDXYDFNPSGZ-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@@H]1CCN[C@H](c2nc(C3([NH3+])CC3)no2)C1 ZINC000905324715 637753359 /nfs/dbraw/zinc/75/33/59/637753359.db2.gz OWYXUODVSGFKNX-SFYZADRCSA-N 1 2 222.292 1.078 20 0 BDADLO C[NH2+][C@@H](CC(C)C)c1nc(C2(N)CC2)no1 ZINC000905332531 637780978 /nfs/dbraw/zinc/78/09/78/637780978.db2.gz XOKZRLGYYDTWBP-QMMMGPOBSA-N 1 2 224.308 1.324 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+][C@H](C)COC)C(=O)OC ZINC000905762195 637919080 /nfs/dbraw/zinc/91/90/80/637919080.db2.gz KXLJEXVCXVPXTR-OPRDCNLKSA-N 1 2 217.309 1.199 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000905771756 637927765 /nfs/dbraw/zinc/92/77/65/637927765.db2.gz KPTBRCYFQLONDP-NNYUYHANSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C(=O)OC ZINC000905822926 637943566 /nfs/dbraw/zinc/94/35/66/637943566.db2.gz KVLVPYHKLSNRGJ-QWRGUYRKSA-N 1 2 241.331 1.487 20 0 BDADLO CC[C@@H]1C[C@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000905830136 637946597 /nfs/dbraw/zinc/94/65/97/637946597.db2.gz NKCQMOOQMQNJJB-MNOVXSKESA-N 1 2 231.303 1.569 20 0 BDADLO CC[C@@](O)(C[N@H+]1CCO[C@H](C)C1)C(F)(F)F ZINC000905893831 637967972 /nfs/dbraw/zinc/96/79/72/637967972.db2.gz BOBIXVXFPPHNCL-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@](O)(C[N@@H+]1CCO[C@H](C)C1)C(F)(F)F ZINC000905893831 637967968 /nfs/dbraw/zinc/96/79/68/637967968.db2.gz BOBIXVXFPPHNCL-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[NH+](CC[S@@](=O)C(F)(F)F)C1 ZINC000905953376 638001321 /nfs/dbraw/zinc/00/13/21/638001321.db2.gz ZWQMVFHKJIKWPQ-CQSZACIVSA-N 1 2 229.267 1.597 20 0 BDADLO Cn1cc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC000906153583 638078719 /nfs/dbraw/zinc/07/87/19/638078719.db2.gz JWIDQWNSLVVZBT-UHFFFAOYSA-N 1 2 214.272 1.483 20 0 BDADLO CC(=O)CCn1cc(C[N@@H+](C)CC(C)C)nn1 ZINC000906261536 638128811 /nfs/dbraw/zinc/12/88/11/638128811.db2.gz LMTKMXCUXVIJMM-UHFFFAOYSA-N 1 2 238.335 1.345 20 0 BDADLO CC(=O)CCn1cc(C[N@H+](C)CC(C)C)nn1 ZINC000906261536 638128814 /nfs/dbraw/zinc/12/88/14/638128814.db2.gz LMTKMXCUXVIJMM-UHFFFAOYSA-N 1 2 238.335 1.345 20 0 BDADLO Cc1cc(C)c(C(=O)NCC[C@@H](C)O)c(C)[nH+]1 ZINC000906738969 638237595 /nfs/dbraw/zinc/23/75/95/638237595.db2.gz LQEQMIOLTBGPQJ-SNVBAGLBSA-N 1 2 236.315 1.508 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000906883913 638268971 /nfs/dbraw/zinc/26/89/71/638268971.db2.gz UEIIVFYIRZIPNL-AVPPRXQKSA-N 1 2 237.303 1.005 20 0 BDADLO CC[C@@H](CC(F)(F)F)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907384632 638369704 /nfs/dbraw/zinc/36/97/04/638369704.db2.gz NZFRYVWRUJZTDW-ZETCQYMHSA-N 1 2 249.236 1.799 20 0 BDADLO CC(C)[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000907657435 638436893 /nfs/dbraw/zinc/43/68/93/638436893.db2.gz IVVNEDVEZCXMLG-VIFPVBQESA-N 1 2 249.236 1.655 20 0 BDADLO CC[C@@]1(NC(=O)CNc2cccc[nH+]2)CCOC1 ZINC000907709049 638451032 /nfs/dbraw/zinc/45/10/32/638451032.db2.gz SJVIEJXPBWTMCQ-CYBMUJFWSA-N 1 2 249.314 1.179 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1(C)CCCC1 ZINC000907827779 638478740 /nfs/dbraw/zinc/47/87/40/638478740.db2.gz DBKSRFDXEDVXJP-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CC(C)(NC(=O)Cc1c[nH]c[nH+]1)C(F)F ZINC000907875989 638497008 /nfs/dbraw/zinc/49/70/08/638497008.db2.gz UQFFSBRXBHELCK-UHFFFAOYSA-N 1 2 217.219 1.112 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1(C(F)(F)F)CC1 ZINC000908155197 638576303 /nfs/dbraw/zinc/57/63/03/638576303.db2.gz IRCMTQPUKTXJMN-UHFFFAOYSA-N 1 2 247.220 1.411 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908133459 638577803 /nfs/dbraw/zinc/57/78/03/638577803.db2.gz CAGNJHUHTGIPGO-SGDMMICCSA-N 1 2 239.706 1.457 20 0 BDADLO CC1(C2CC2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000908285488 638632465 /nfs/dbraw/zinc/63/24/65/638632465.db2.gz RHWQSZSWKBDIIJ-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@@H](CNC(=O)CNc1cccc[nH+]1)OC ZINC000908297327 638647591 /nfs/dbraw/zinc/64/75/91/638647591.db2.gz WLNJGXRDRLNATO-JTQLQIEISA-N 1 2 237.303 1.035 20 0 BDADLO CCN(CC(C)=O)C(=O)CCCn1cc[nH+]c1 ZINC000908391612 638690475 /nfs/dbraw/zinc/69/04/75/638690475.db2.gz HQKIKDHSDGZPAP-UHFFFAOYSA-N 1 2 237.303 1.101 20 0 BDADLO COC[C@@H]1CCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC000908409854 638699211 /nfs/dbraw/zinc/69/92/11/638699211.db2.gz UMERVMFZBUYMJP-LBPRGKRZSA-N 1 2 248.326 1.868 20 0 BDADLO COC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000908504426 639001419 /nfs/dbraw/zinc/00/14/19/639001419.db2.gz CUULZCQMOITWCY-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO CC(F)(F)CCNC(=O)CNc1cccc[nH+]1 ZINC000908510717 639004555 /nfs/dbraw/zinc/00/45/55/639004555.db2.gz DAHHVZWAJXPLLH-UHFFFAOYSA-N 1 2 243.257 1.655 20 0 BDADLO CC[C@H](C(=O)Nc1cccc2[nH]nnc21)[NH+](C)C ZINC000908700580 639052790 /nfs/dbraw/zinc/05/27/90/639052790.db2.gz MSYJTJQOOZKPBL-SNVBAGLBSA-N 1 2 247.302 1.237 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)[C@H]1C[C@@H]1C)[NH+](C)C ZINC000909257214 639185924 /nfs/dbraw/zinc/18/59/24/639185924.db2.gz URXJYFGZTFZYMK-JBLDHEPKSA-N 1 2 241.331 1.341 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)[C@H]1C[C@@H]1C)[NH+](C)C ZINC000909299035 639191431 /nfs/dbraw/zinc/19/14/31/639191431.db2.gz URXJYFGZTFZYMK-NHCYSSNCSA-N 1 2 241.331 1.341 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000909863568 639257640 /nfs/dbraw/zinc/25/76/40/639257640.db2.gz WEOZIAOJXAKCDJ-PHIMTYICSA-N 1 2 249.314 1.177 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CC1(C)C ZINC000910928192 639541771 /nfs/dbraw/zinc/54/17/71/639541771.db2.gz WYRQWUFHZIBKDI-MNOVXSKESA-N 1 2 235.331 1.893 20 0 BDADLO O=C(C[C@H]1CC=CCC1)NCCn1cc[nH+]c1 ZINC000930223054 639636699 /nfs/dbraw/zinc/63/66/99/639636699.db2.gz UHWWCLIEYXLQLL-LBPRGKRZSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000930222209 639640794 /nfs/dbraw/zinc/64/07/94/639640794.db2.gz NGKZHHLFQJESHQ-CLLJXQQHSA-N 1 2 247.342 1.826 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000930287624 639681810 /nfs/dbraw/zinc/68/18/10/639681810.db2.gz HMFJYWFDXZAHCW-RCWTZXSCSA-N 1 2 229.295 1.618 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000930287624 639681816 /nfs/dbraw/zinc/68/18/16/639681816.db2.gz HMFJYWFDXZAHCW-RCWTZXSCSA-N 1 2 229.295 1.618 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC000911723879 639748131 /nfs/dbraw/zinc/74/81/31/639748131.db2.gz GVWVLILBAQFTEE-UHFFFAOYSA-N 1 2 225.368 1.219 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930622812 639827187 /nfs/dbraw/zinc/82/71/87/639827187.db2.gz KZLOCNGQPAERFU-KCJUWKMLSA-N 1 2 243.257 1.240 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930622812 639827190 /nfs/dbraw/zinc/82/71/90/639827190.db2.gz KZLOCNGQPAERFU-KCJUWKMLSA-N 1 2 243.257 1.240 20 0 BDADLO C[C@H]1C[N@H+](CCCC(C)(F)F)CC(=O)N1 ZINC000930641590 639840309 /nfs/dbraw/zinc/84/03/09/639840309.db2.gz SWMJGLQBCLXQRY-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO C[C@H]1C[N@@H+](CCCC(C)(F)F)CC(=O)N1 ZINC000930641590 639840314 /nfs/dbraw/zinc/84/03/14/639840314.db2.gz SWMJGLQBCLXQRY-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC=C(Cl)Cl ZINC000911963178 639909167 /nfs/dbraw/zinc/90/91/67/639909167.db2.gz BGEYEXPDNNOXLT-UHFFFAOYSA-N 1 2 234.086 1.387 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)s1 ZINC000930815472 639916447 /nfs/dbraw/zinc/91/64/47/639916447.db2.gz UJJWDMCIWOKGTJ-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H](c3cccnc3)C2)s1 ZINC000930815472 639916451 /nfs/dbraw/zinc/91/64/51/639916451.db2.gz UJJWDMCIWOKGTJ-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000912011577 639925356 /nfs/dbraw/zinc/92/53/56/639925356.db2.gz VXMCABJITXXEJK-SNVBAGLBSA-N 1 2 240.328 1.042 20 0 BDADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000912011577 639925361 /nfs/dbraw/zinc/92/53/61/639925361.db2.gz VXMCABJITXXEJK-SNVBAGLBSA-N 1 2 240.328 1.042 20 0 BDADLO COCC1(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000912046635 639933875 /nfs/dbraw/zinc/93/38/75/639933875.db2.gz IEPKUSIFUROGIE-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO CC(C)c1nsc(C[N@H+](C)[C@@H](C)CCO)n1 ZINC000930861992 639953441 /nfs/dbraw/zinc/95/34/41/639953441.db2.gz GGICCTNSDYGSNC-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nsc(C[N@@H+](C)[C@@H](C)CCO)n1 ZINC000930861992 639953445 /nfs/dbraw/zinc/95/34/45/639953445.db2.gz GGICCTNSDYGSNC-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO COC(C)(C)CC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930873397 639964022 /nfs/dbraw/zinc/96/40/22/639964022.db2.gz XYWYTOWNJMBUGM-CYBMUJFWSA-N 1 2 243.347 1.875 20 0 BDADLO CSCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930874079 639964242 /nfs/dbraw/zinc/96/42/42/639964242.db2.gz DFAYFSPFHAIFCY-JTQLQIEISA-N 1 2 217.334 1.423 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000930889205 639972785 /nfs/dbraw/zinc/97/27/85/639972785.db2.gz KANZOAGICWTOMR-ABRRARGCSA-N 1 2 239.319 1.964 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000930889205 639972796 /nfs/dbraw/zinc/97/27/96/639972796.db2.gz KANZOAGICWTOMR-ABRRARGCSA-N 1 2 239.319 1.964 20 0 BDADLO C[N@H+](CCc1ccns1)Cc1cnc[nH]1 ZINC000930917074 639987863 /nfs/dbraw/zinc/98/78/63/639987863.db2.gz UFODWDIGPSWJEL-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1ccns1)Cc1cnc[nH]1 ZINC000930917074 639987867 /nfs/dbraw/zinc/98/78/67/639987867.db2.gz UFODWDIGPSWJEL-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO CO[C@@H]1CN(Cc2cc(C)cc(C)[nH+]2)CCO1 ZINC000931035785 640029072 /nfs/dbraw/zinc/02/90/72/640029072.db2.gz VWKZOCANLBMJSY-ZDUSSCGKSA-N 1 2 236.315 1.503 20 0 BDADLO CCn1ncc(C)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912467862 640073216 /nfs/dbraw/zinc/07/32/16/640073216.db2.gz BLOUUOWFGZATCD-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO c1nnc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCO2)[nH]1 ZINC000931140333 640076447 /nfs/dbraw/zinc/07/64/47/640076447.db2.gz IFVYQBQSEMZKMO-QWRGUYRKSA-N 1 2 236.319 1.511 20 0 BDADLO c1nnc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)[nH]1 ZINC000931140333 640076454 /nfs/dbraw/zinc/07/64/54/640076454.db2.gz IFVYQBQSEMZKMO-QWRGUYRKSA-N 1 2 236.319 1.511 20 0 BDADLO C[N@H+](CCCC(C)(F)F)C1CS(=O)(=O)C1 ZINC000931235215 640107649 /nfs/dbraw/zinc/10/76/49/640107649.db2.gz VYAGEIPFJQVFIA-UHFFFAOYSA-N 1 2 241.303 1.151 20 0 BDADLO C[N@@H+](CCCC(C)(F)F)C1CS(=O)(=O)C1 ZINC000931235215 640107655 /nfs/dbraw/zinc/10/76/55/640107655.db2.gz VYAGEIPFJQVFIA-UHFFFAOYSA-N 1 2 241.303 1.151 20 0 BDADLO C[N@H+](CC1CC2(CCC2)C1)C1CS(=O)(=O)C1 ZINC000931234854 640107749 /nfs/dbraw/zinc/10/77/49/640107749.db2.gz YXSFSZHGIXPEER-UHFFFAOYSA-N 1 2 243.372 1.296 20 0 BDADLO C[N@@H+](CC1CC2(CCC2)C1)C1CS(=O)(=O)C1 ZINC000931234854 640107754 /nfs/dbraw/zinc/10/77/54/640107754.db2.gz YXSFSZHGIXPEER-UHFFFAOYSA-N 1 2 243.372 1.296 20 0 BDADLO C/C=C/C=C\C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912616341 640124801 /nfs/dbraw/zinc/12/48/01/640124801.db2.gz CCSVWKJNNNPXMC-DEQVHDEQSA-N 1 2 233.315 1.867 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912614572 640138852 /nfs/dbraw/zinc/13/88/52/640138852.db2.gz ORTRAPUDONEUBJ-VQNWOSHQSA-N 1 2 249.314 1.092 20 0 BDADLO CC(C)(CNC(=O)C=C1CCC1)n1cc[nH+]c1 ZINC000912615853 640140072 /nfs/dbraw/zinc/14/00/72/640140072.db2.gz SIZYYGRBZUZUNL-UHFFFAOYSA-N 1 2 233.315 1.845 20 0 BDADLO C/C(Cl)=C/C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615492 640140517 /nfs/dbraw/zinc/14/05/17/640140517.db2.gz YKWRLPBMBKHMLJ-TWGQIWQCSA-N 1 2 241.722 1.877 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H](O)C2)c(C)[nH+]1 ZINC000912729726 640183270 /nfs/dbraw/zinc/18/32/70/640183270.db2.gz WLNWUYZTQNTZFD-XYPYZODXSA-N 1 2 234.299 1.260 20 0 BDADLO Cn1ccnc1C[NH+]1CCC(c2ncco2)CC1 ZINC000931446910 640209719 /nfs/dbraw/zinc/20/97/19/640209719.db2.gz WXPSAZNSWNWGEE-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO CCn1cc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)nn1 ZINC000931466658 640226524 /nfs/dbraw/zinc/22/65/24/640226524.db2.gz KQNLZIIAYODWLY-VIFPVBQESA-N 1 2 246.318 1.140 20 0 BDADLO CCn1cc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)nn1 ZINC000931466658 640226531 /nfs/dbraw/zinc/22/65/31/640226531.db2.gz KQNLZIIAYODWLY-VIFPVBQESA-N 1 2 246.318 1.140 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931467341 640227037 /nfs/dbraw/zinc/22/70/37/640227037.db2.gz NSCDYEVIXYZSGA-UMCURTJPSA-N 1 2 249.314 1.448 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931467341 640227040 /nfs/dbraw/zinc/22/70/40/640227040.db2.gz NSCDYEVIXYZSGA-UMCURTJPSA-N 1 2 249.314 1.448 20 0 BDADLO CC[C@H](CO)[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000931536596 640262263 /nfs/dbraw/zinc/26/22/63/640262263.db2.gz WCWYNFFJVPRTIY-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](CO)[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000931536596 640262265 /nfs/dbraw/zinc/26/22/65/640262265.db2.gz WCWYNFFJVPRTIY-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](CO)[NH2+]Cc1noc(C2CCC2)n1 ZINC000931771130 640362822 /nfs/dbraw/zinc/36/28/22/640362822.db2.gz DOZXMHOZMFFRRS-SECBINFHSA-N 1 2 225.292 1.198 20 0 BDADLO C[C@H]([NH2+]Cc1cnccn1)c1ccccn1 ZINC000054765591 640408237 /nfs/dbraw/zinc/40/82/37/640408237.db2.gz WAGWJRQJXJOQMN-JTQLQIEISA-N 1 2 214.272 1.722 20 0 BDADLO CC(C)(C)[S@](=O)CC[NH2+]Cc1c[nH]cn1 ZINC000164129098 640450864 /nfs/dbraw/zinc/45/08/64/640450864.db2.gz NCUISSFUEBBGMC-HNNXBMFYSA-N 1 2 229.349 1.047 20 0 BDADLO COC(C[NH2+][C@@H](c1ncccn1)C1CC1)OC ZINC000932355734 640498578 /nfs/dbraw/zinc/49/85/78/640498578.db2.gz YSVRDSYNPMRMRO-LLVKDONJSA-N 1 2 237.303 1.136 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932369633 640501317 /nfs/dbraw/zinc/50/13/17/640501317.db2.gz VFUNWVUHXNBNFG-GFCCVEGCSA-N 1 2 248.330 1.042 20 0 BDADLO COCc1nc(C[NH2+][C@H](C)C(C)(C)OC)no1 ZINC000932371506 640501947 /nfs/dbraw/zinc/50/19/47/640501947.db2.gz ZYUYYIFRRFVQBN-MRVPVSSYSA-N 1 2 243.307 1.119 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000932476232 640541992 /nfs/dbraw/zinc/54/19/92/640541992.db2.gz XYUSSRBGVWRIKF-CNDDSTCGSA-N 1 2 247.342 1.895 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)no1 ZINC000932487819 640552581 /nfs/dbraw/zinc/55/25/81/640552581.db2.gz CSLWHIMMRCYGEY-ZKWXMUAHSA-N 1 2 211.265 1.064 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2COC[C@H]2C)no1 ZINC000932499123 640559415 /nfs/dbraw/zinc/55/94/15/640559415.db2.gz IKKAZVSNBSOZCP-RKDXNWHRSA-N 1 2 225.292 1.318 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2COC[C@H]2C)no1 ZINC000932499120 640560149 /nfs/dbraw/zinc/56/01/49/640560149.db2.gz IKKAZVSNBSOZCP-BDAKNGLRSA-N 1 2 225.292 1.318 20 0 BDADLO O[C@@H](C[N@@H+]1CCn2cccc2C1)CC(F)(F)F ZINC000932526891 640566843 /nfs/dbraw/zinc/56/68/43/640566843.db2.gz YAUXMIGZVGPJIP-SNVBAGLBSA-N 1 2 248.248 1.617 20 0 BDADLO O[C@@H](C[N@H+]1CCn2cccc2C1)CC(F)(F)F ZINC000932526891 640566848 /nfs/dbraw/zinc/56/68/48/640566848.db2.gz YAUXMIGZVGPJIP-SNVBAGLBSA-N 1 2 248.248 1.617 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602869 640584040 /nfs/dbraw/zinc/58/40/40/640584040.db2.gz LCUWZOUEPWFCDH-LBPRGKRZSA-N 1 2 235.331 1.347 20 0 BDADLO CC[C@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602869 640584046 /nfs/dbraw/zinc/58/40/46/640584046.db2.gz LCUWZOUEPWFCDH-LBPRGKRZSA-N 1 2 235.331 1.347 20 0 BDADLO CCCC[NH+]1CC(NC(=O)c2cncs2)C1 ZINC001030133705 640624155 /nfs/dbraw/zinc/62/41/55/640624155.db2.gz VOOJKCPFVSMVDY-UHFFFAOYSA-N 1 2 239.344 1.357 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nc(CC)no2)C1 ZINC000932979371 640661381 /nfs/dbraw/zinc/66/13/81/640661381.db2.gz HLLMLUQIQXMSDG-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nc(CC)no2)C1 ZINC000932979371 640661386 /nfs/dbraw/zinc/66/13/86/640661386.db2.gz HLLMLUQIQXMSDG-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC000933259411 640691242 /nfs/dbraw/zinc/69/12/42/640691242.db2.gz NWHWJITWOFGVMV-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000933259411 640691247 /nfs/dbraw/zinc/69/12/47/640691247.db2.gz NWHWJITWOFGVMV-LBPRGKRZSA-N 1 2 249.358 1.830 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933402385 640716635 /nfs/dbraw/zinc/71/66/35/640716635.db2.gz YLTXUKHUCINFKP-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933402385 640716638 /nfs/dbraw/zinc/71/66/38/640716638.db2.gz YLTXUKHUCINFKP-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001030296555 640737094 /nfs/dbraw/zinc/73/70/94/640737094.db2.gz ACCRAULLIKDZII-NXEZZACHSA-N 1 2 228.311 1.335 20 0 BDADLO CNc1cc(NC[C@H](O)CC(C)C)[nH+]cn1 ZINC000226303831 640745047 /nfs/dbraw/zinc/74/50/47/640745047.db2.gz AIVAEIVAGYGDAZ-SECBINFHSA-N 1 2 224.308 1.337 20 0 BDADLO CC[N@H+](CCC(=O)NC)[C@@H](C)c1csnn1 ZINC000933863421 640774885 /nfs/dbraw/zinc/77/48/85/640774885.db2.gz YCBIILKEIYTSAW-QMMMGPOBSA-N 1 2 242.348 1.057 20 0 BDADLO CC[N@@H+](CCC(=O)NC)[C@@H](C)c1csnn1 ZINC000933863421 640774888 /nfs/dbraw/zinc/77/48/88/640774888.db2.gz YCBIILKEIYTSAW-QMMMGPOBSA-N 1 2 242.348 1.057 20 0 BDADLO CC1(C(=O)NC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001030352190 640784783 /nfs/dbraw/zinc/78/47/83/640784783.db2.gz GOMAQHTWPGKRRI-UHFFFAOYSA-N 1 2 244.338 1.787 20 0 BDADLO CCNC(=S)NCCCNc1cccc[nH+]1 ZINC000060433687 640859805 /nfs/dbraw/zinc/85/98/05/640859805.db2.gz YSPMTZMEGXWEMF-UHFFFAOYSA-N 1 2 238.360 1.368 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cscc2Cl)C1 ZINC001030487980 640877168 /nfs/dbraw/zinc/87/71/68/640877168.db2.gz ZEWGUXRHDWLWPS-UHFFFAOYSA-N 1 2 244.747 1.835 20 0 BDADLO CC[NH+]1CC(NC(=O)C(C)(C)c2cccnc2)C1 ZINC001030581030 640928220 /nfs/dbraw/zinc/92/82/20/640928220.db2.gz CKXBXKKPTYWWHY-UHFFFAOYSA-N 1 2 247.342 1.180 20 0 BDADLO CNc1cc(NC[C@](C)(O)CSC)[nH+]cn1 ZINC000230192228 641035686 /nfs/dbraw/zinc/03/56/86/641035686.db2.gz QWAOKMWLHWJGHC-JTQLQIEISA-N 1 2 242.348 1.044 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1COC(C)(C)O1 ZINC000230235197 641040640 /nfs/dbraw/zinc/04/06/40/641040640.db2.gz JKYXBKBJEVHKBQ-VIFPVBQESA-N 1 2 238.287 1.654 20 0 BDADLO CNc1cc(N2CCC[C@](C)(OC)C2)nc[nH+]1 ZINC000230298785 641047981 /nfs/dbraw/zinc/04/79/81/641047981.db2.gz UYBROUHTKQCURP-LBPRGKRZSA-N 1 2 236.319 1.524 20 0 BDADLO CNc1cc(N2CCC[C@](C)(OC)C2)[nH+]cn1 ZINC000230298785 641047985 /nfs/dbraw/zinc/04/79/85/641047985.db2.gz UYBROUHTKQCURP-LBPRGKRZSA-N 1 2 236.319 1.524 20 0 BDADLO CC(C)[C@]1(C)CC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000172326371 641055593 /nfs/dbraw/zinc/05/55/93/641055593.db2.gz MFDGUSARAYCJFQ-ZDUSSCGKSA-N 1 2 238.331 1.459 20 0 BDADLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000172326371 641055595 /nfs/dbraw/zinc/05/55/95/641055595.db2.gz MFDGUSARAYCJFQ-ZDUSSCGKSA-N 1 2 238.331 1.459 20 0 BDADLO CCCNc1cc(N(CC)CCO)nc[nH+]1 ZINC000087820020 641055744 /nfs/dbraw/zinc/05/57/44/641055744.db2.gz LDGTZGLLFPEKLR-UHFFFAOYSA-N 1 2 224.308 1.117 20 0 BDADLO CCCNc1cc(N(CC)CCO)[nH+]cn1 ZINC000087820020 641055748 /nfs/dbraw/zinc/05/57/48/641055748.db2.gz LDGTZGLLFPEKLR-UHFFFAOYSA-N 1 2 224.308 1.117 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000934128881 641088133 /nfs/dbraw/zinc/08/81/33/641088133.db2.gz ZGXXTWZKAPYPJF-SZEHBUNVSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000934128881 641088127 /nfs/dbraw/zinc/08/81/27/641088127.db2.gz ZGXXTWZKAPYPJF-SZEHBUNVSA-N 1 2 225.292 1.548 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H]2CC[C@@H]2OC)o1 ZINC000934131277 641088210 /nfs/dbraw/zinc/08/82/10/641088210.db2.gz OZQAVAPKXQTZMQ-QWRGUYRKSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)o1 ZINC000934131277 641088215 /nfs/dbraw/zinc/08/82/15/641088215.db2.gz OZQAVAPKXQTZMQ-QWRGUYRKSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H]2CC[C@H]2OC)o1 ZINC000934131275 641089581 /nfs/dbraw/zinc/08/95/81/641089581.db2.gz OZQAVAPKXQTZMQ-GHMZBOCLSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H]2CC[C@H]2OC)o1 ZINC000934131275 641089588 /nfs/dbraw/zinc/08/95/88/641089588.db2.gz OZQAVAPKXQTZMQ-GHMZBOCLSA-N 1 2 224.304 1.846 20 0 BDADLO Cn1cnn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172941437 641136303 /nfs/dbraw/zinc/13/63/03/641136303.db2.gz SHEPSRQBLIIMQS-DTORHVGOSA-N 1 2 238.360 1.496 20 0 BDADLO Cn1cnn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172941437 641136305 /nfs/dbraw/zinc/13/63/05/641136305.db2.gz SHEPSRQBLIIMQS-DTORHVGOSA-N 1 2 238.360 1.496 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(Cl)cn2)CC[C@@H]1O ZINC000231284935 641154769 /nfs/dbraw/zinc/15/47/69/641154769.db2.gz YSTZYLBCEYAYEC-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)CC[C@@H]1O ZINC000231284935 641154773 /nfs/dbraw/zinc/15/47/73/641154773.db2.gz YSTZYLBCEYAYEC-WPRPVWTQSA-N 1 2 241.722 1.333 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(N)cn1 ZINC000231298190 641155997 /nfs/dbraw/zinc/15/59/97/641155997.db2.gz PZFMATHCRRCTPX-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(N)cn1 ZINC000231298190 641156002 /nfs/dbraw/zinc/15/60/02/641156002.db2.gz PZFMATHCRRCTPX-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1cnc(N)cn1 ZINC000231295496 641158009 /nfs/dbraw/zinc/15/80/09/641158009.db2.gz JGTGJLKGQMXYFA-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1cnc(N)cn1 ZINC000231295496 641158013 /nfs/dbraw/zinc/15/80/13/641158013.db2.gz JGTGJLKGQMXYFA-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO CC[NH+](CC)Cc1nc([C@]2(C)CCCO2)no1 ZINC000350313527 641166206 /nfs/dbraw/zinc/16/62/06/641166206.db2.gz XTSOXNNLQLPVER-LBPRGKRZSA-N 1 2 239.319 1.937 20 0 BDADLO COC(OC)[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231640761 641188874 /nfs/dbraw/zinc/18/88/74/641188874.db2.gz YDXMDFLUDJGBOM-MRVPVSSYSA-N 1 2 214.265 1.080 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934571745 641201678 /nfs/dbraw/zinc/20/16/78/641201678.db2.gz YEZAHJWJHGECKY-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934571745 641201682 /nfs/dbraw/zinc/20/16/82/641201682.db2.gz YEZAHJWJHGECKY-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000088001280 641226194 /nfs/dbraw/zinc/22/61/94/641226194.db2.gz XNTIULGWXODQAT-JGVFFNPUSA-N 1 2 243.332 1.674 20 0 BDADLO CSCC[NH2+]C(C)(C)C(=O)OC(C)C ZINC000934816766 641279264 /nfs/dbraw/zinc/27/92/64/641279264.db2.gz NXXNIBNJHYZFLB-UHFFFAOYSA-N 1 2 219.350 1.669 20 0 BDADLO CC(C)OC(=O)C(C)(C)NCc1c[nH+]cn1C ZINC000934818249 641279304 /nfs/dbraw/zinc/27/93/04/641279304.db2.gz YDHWJDGHQOPGSF-UHFFFAOYSA-N 1 2 239.319 1.240 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001030722207 641321599 /nfs/dbraw/zinc/32/15/99/641321599.db2.gz SLXOIMIWYBKBCQ-CNDDSTCGSA-N 1 2 236.359 1.633 20 0 BDADLO Cn1c[nH+]cc1Cc1nc([C@@]2(C)CCCO2)no1 ZINC000350413615 641323599 /nfs/dbraw/zinc/32/35/99/641323599.db2.gz KPTYPFUCMCTSPC-GFCCVEGCSA-N 1 2 248.286 1.420 20 0 BDADLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC000935189979 641360205 /nfs/dbraw/zinc/36/02/05/641360205.db2.gz QLKGPLKCRPHZAV-QPUJVOFHSA-N 1 2 245.282 1.016 20 0 BDADLO C[C@@H](c1nc([C@@H]2CCOC[C@@H]2C)no1)[NH+](C)C ZINC000350604462 641372741 /nfs/dbraw/zinc/37/27/41/641372741.db2.gz XNDWJOBFEUGBLX-LPEHRKFASA-N 1 2 239.319 1.832 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)C[C@H]2C[C@@H]2C)C1 ZINC001030896720 641407597 /nfs/dbraw/zinc/40/75/97/641407597.db2.gz DJXOTPKYUHNWGE-NWDGAFQWSA-N 1 2 236.359 1.799 20 0 BDADLO C[C@@H](c1nc([C@@]2(C)CCCO2)no1)[NH+](C)C ZINC000350757917 641413146 /nfs/dbraw/zinc/41/31/46/641413146.db2.gz RYIKGZBJLYKJEE-GZMMTYOYSA-N 1 2 225.292 1.718 20 0 BDADLO CC1(CCC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000935486861 641418078 /nfs/dbraw/zinc/41/80/78/641418078.db2.gz STNQJMVVOQZWIM-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030922229 641423955 /nfs/dbraw/zinc/42/39/55/641423955.db2.gz ZGRGLRWSESWJSM-MWLCHTKSSA-N 1 2 210.321 1.243 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001030978658 641557030 /nfs/dbraw/zinc/55/70/30/641557030.db2.gz NVLFSEAFJOYQDG-DGCLKSJQSA-N 1 2 236.359 1.799 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCOC2)cc[nH+]1 ZINC000493030149 641567867 /nfs/dbraw/zinc/56/78/67/641567867.db2.gz WWTKGFWJMBDROP-KXMPLOMGSA-N 1 2 232.283 1.343 20 0 BDADLO COC[C@@H]([NH3+])c1nc(CCc2ccccc2)no1 ZINC000159336593 641677497 /nfs/dbraw/zinc/67/74/97/641677497.db2.gz IDCRAYBKCNCPFW-LLVKDONJSA-N 1 2 247.298 1.501 20 0 BDADLO C[N@H+](Cn1nc2ccccn2c1=O)C1CCCC1 ZINC000048398893 641685191 /nfs/dbraw/zinc/68/51/91/641685191.db2.gz CMJWMBVYLFIIIS-UHFFFAOYSA-N 1 2 246.314 1.328 20 0 BDADLO C[N@@H+](Cn1nc2ccccn2c1=O)C1CCCC1 ZINC000048398893 641685196 /nfs/dbraw/zinc/68/51/96/641685196.db2.gz CMJWMBVYLFIIIS-UHFFFAOYSA-N 1 2 246.314 1.328 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CC[C@H](C)O ZINC000075778810 641769738 /nfs/dbraw/zinc/76/97/38/641769738.db2.gz DWNMZKJFXOHNFG-JTQLQIEISA-N 1 2 217.309 1.032 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CC[C@H](C)O ZINC000075778810 641769742 /nfs/dbraw/zinc/76/97/42/641769742.db2.gz DWNMZKJFXOHNFG-JTQLQIEISA-N 1 2 217.309 1.032 20 0 BDADLO COC(C[N@@H+]1CCC[C@H]1C(=O)OC(C)C)OC ZINC000189112142 641787724 /nfs/dbraw/zinc/78/77/24/641787724.db2.gz FRXPYRUJVFLZKK-JTQLQIEISA-N 1 2 245.319 1.021 20 0 BDADLO COC(C[N@H+]1CCC[C@H]1C(=O)OC(C)C)OC ZINC000189112142 641787726 /nfs/dbraw/zinc/78/77/26/641787726.db2.gz FRXPYRUJVFLZKK-JTQLQIEISA-N 1 2 245.319 1.021 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H]2CCOC2=O)CCS1 ZINC000076073418 641791811 /nfs/dbraw/zinc/79/18/11/641791811.db2.gz PDNPFFUUWSTCJK-DTWKUNHWSA-N 1 2 215.318 1.129 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H]2CCOC2=O)CCS1 ZINC000076073418 641791817 /nfs/dbraw/zinc/79/18/17/641791817.db2.gz PDNPFFUUWSTCJK-DTWKUNHWSA-N 1 2 215.318 1.129 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000076408872 641810473 /nfs/dbraw/zinc/81/04/73/641810473.db2.gz OQKJACDHUZJCKW-NSHDSACASA-N 1 2 224.210 1.895 20 0 BDADLO C/C=C(/CC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000189927114 641824828 /nfs/dbraw/zinc/82/48/28/641824828.db2.gz OALBQVOWKFLAEW-GFLSPSCZSA-N 1 2 241.331 1.607 20 0 BDADLO CCN(C(=O)c1coc(C)n1)C1C[NH+](CC)C1 ZINC000949956716 641876657 /nfs/dbraw/zinc/87/66/57/641876657.db2.gz WYVQOLKSOFPXSV-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](CCC(C)=O)C1CC1 ZINC000190631693 641876910 /nfs/dbraw/zinc/87/69/10/641876910.db2.gz RHFSUZMCHHTNMO-GFCCVEGCSA-N 1 2 241.331 1.772 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](CCC(C)=O)C1CC1 ZINC000190631693 641876914 /nfs/dbraw/zinc/87/69/14/641876914.db2.gz RHFSUZMCHHTNMO-GFCCVEGCSA-N 1 2 241.331 1.772 20 0 BDADLO CC1=NO[C@H](CSc2nc(N)cc(C)[nH+]2)C1 ZINC000916177314 641916026 /nfs/dbraw/zinc/91/60/26/641916026.db2.gz RLRJSJBXYVHCBV-QMMMGPOBSA-N 1 2 238.316 1.624 20 0 BDADLO C[N@@H+]1CCC[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000916538336 641944211 /nfs/dbraw/zinc/94/42/11/641944211.db2.gz BFZUNWTVVTUMLZ-VIFPVBQESA-N 1 2 238.360 1.868 20 0 BDADLO C[N@H+]1CCC[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000916538336 641944217 /nfs/dbraw/zinc/94/42/17/641944217.db2.gz BFZUNWTVVTUMLZ-VIFPVBQESA-N 1 2 238.360 1.868 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001031449787 642166046 /nfs/dbraw/zinc/16/60/46/642166046.db2.gz XGOBUFRGZCOKPV-UHFFFAOYSA-N 1 2 244.338 1.998 20 0 BDADLO C[C@@H](O)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933128431 642356123 /nfs/dbraw/zinc/35/61/23/642356123.db2.gz PJYDLLBHLZSXBR-MRVPVSSYSA-N 1 2 233.271 1.064 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ocnc1C ZINC000933217932 642398291 /nfs/dbraw/zinc/39/82/91/642398291.db2.gz OMNUAUHZZXIEDY-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ocnc1C ZINC000933217932 642398303 /nfs/dbraw/zinc/39/83/03/642398303.db2.gz OMNUAUHZZXIEDY-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(C)nc1 ZINC000069795225 642410439 /nfs/dbraw/zinc/41/04/39/642410439.db2.gz NEIFYGNKYSDVBV-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1ncc(C)o1)C2 ZINC000933252610 642421397 /nfs/dbraw/zinc/42/13/97/642421397.db2.gz FFILJFYBVNALMS-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1nccn1C)C2 ZINC000933255666 642424149 /nfs/dbraw/zinc/42/41/49/642424149.db2.gz OUNCYMWIGZRMHI-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cc(C)no1)C2 ZINC000933255672 642424813 /nfs/dbraw/zinc/42/48/13/642424813.db2.gz PDLQCGWJDUSQFQ-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO C[C@H](CNC(=O)C1(C)CC=CC1)Cn1cc[nH+]c1 ZINC000933297248 642508507 /nfs/dbraw/zinc/50/85/07/642508507.db2.gz FBMSCTIZBQETLT-GFCCVEGCSA-N 1 2 247.342 1.992 20 0 BDADLO CCC/C=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000920474137 642510776 /nfs/dbraw/zinc/51/07/76/642510776.db2.gz WNGXTLLNFGYKRI-GZTOBOFZSA-N 1 2 221.304 1.744 20 0 BDADLO CCCOC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921433141 642623807 /nfs/dbraw/zinc/62/38/07/642623807.db2.gz IXNAAGHAGSGPLL-NSHDSACASA-N 1 2 244.335 1.233 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc2ccccn2c1=O ZINC000174952953 642641372 /nfs/dbraw/zinc/64/13/72/642641372.db2.gz UXXQVXWNAPTAFI-WDEREUQCSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc2ccccn2c1=O ZINC000174952953 642641374 /nfs/dbraw/zinc/64/13/74/642641374.db2.gz UXXQVXWNAPTAFI-WDEREUQCSA-N 1 2 246.314 1.184 20 0 BDADLO CC(C)C(=O)N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000254412881 642722172 /nfs/dbraw/zinc/72/21/72/642722172.db2.gz NPHKUNYAXYSQER-UHFFFAOYSA-N 1 2 233.315 1.859 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000237780296 642744135 /nfs/dbraw/zinc/74/41/35/642744135.db2.gz IVDBAWVXCWXZMO-AWEZNQCLSA-N 1 2 245.326 1.850 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCCC#N ZINC000069068049 642823814 /nfs/dbraw/zinc/82/38/14/642823814.db2.gz NCFKHINXPHIZRA-SNVBAGLBSA-N 1 2 235.287 1.302 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCCC#N ZINC000069068049 642823820 /nfs/dbraw/zinc/82/38/20/642823820.db2.gz NCFKHINXPHIZRA-SNVBAGLBSA-N 1 2 235.287 1.302 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)c1ccoc1 ZINC001010191552 642854518 /nfs/dbraw/zinc/85/45/18/642854518.db2.gz BJVHBTUDULMVLL-JTQLQIEISA-N 1 2 226.251 1.053 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)c1ccoc1 ZINC001010191552 642854524 /nfs/dbraw/zinc/85/45/24/642854524.db2.gz BJVHBTUDULMVLL-JTQLQIEISA-N 1 2 226.251 1.053 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010221546 642854650 /nfs/dbraw/zinc/85/46/50/642854650.db2.gz PKWXHQGXHUDMOT-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010221546 642854655 /nfs/dbraw/zinc/85/46/55/642854655.db2.gz PKWXHQGXHUDMOT-JTQLQIEISA-N 1 2 240.278 1.362 20 0 BDADLO CC(C)[C@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181632226 642891863 /nfs/dbraw/zinc/89/18/63/642891863.db2.gz WLCBATYHLBQILK-NEPJUHHUSA-N 1 2 243.347 1.542 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069890327 642928022 /nfs/dbraw/zinc/92/80/22/642928022.db2.gz HFHFJCABGKOHIK-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO CCCn1cc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000080728184 642938675 /nfs/dbraw/zinc/93/86/75/642938675.db2.gz ALLIMCHOSGEPLI-UHFFFAOYSA-N 1 2 247.302 1.518 20 0 BDADLO CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001017415829 642972472 /nfs/dbraw/zinc/97/24/72/642972472.db2.gz NWQFEXMDSOEZKC-PHIMTYICSA-N 1 2 248.330 1.027 20 0 BDADLO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001017415829 642972485 /nfs/dbraw/zinc/97/24/85/642972485.db2.gz NWQFEXMDSOEZKC-PHIMTYICSA-N 1 2 248.330 1.027 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OCC(C)C)[C@H]1CCCO1 ZINC000182322375 642996645 /nfs/dbraw/zinc/99/66/45/642996645.db2.gz WSEJOEGOLUDKGI-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)C[C@@H]1C ZINC000941691114 643116623 /nfs/dbraw/zinc/11/66/23/643116623.db2.gz RSYBVSQABBAKDY-JOYOIKCWSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)C[C@@H]1C ZINC000941691114 643116625 /nfs/dbraw/zinc/11/66/25/643116625.db2.gz RSYBVSQABBAKDY-JOYOIKCWSA-N 1 2 237.303 1.021 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@H](C)CC1 ZINC000932335040 643122159 /nfs/dbraw/zinc/12/21/59/643122159.db2.gz FPQSKGYPMYDVCS-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@H](C)CC1 ZINC000932335040 643122167 /nfs/dbraw/zinc/12/21/67/643122167.db2.gz FPQSKGYPMYDVCS-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000306633818 643202488 /nfs/dbraw/zinc/20/24/88/643202488.db2.gz SPRSILBXCKCNQL-JTQLQIEISA-N 1 2 207.277 1.211 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000306633818 643202504 /nfs/dbraw/zinc/20/25/04/643202504.db2.gz SPRSILBXCKCNQL-JTQLQIEISA-N 1 2 207.277 1.211 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000049751566 643354930 /nfs/dbraw/zinc/35/49/30/643354930.db2.gz PFDHTAUHMTYJLF-LLVKDONJSA-N 1 2 229.320 1.177 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000049751566 643354939 /nfs/dbraw/zinc/35/49/39/643354939.db2.gz PFDHTAUHMTYJLF-LLVKDONJSA-N 1 2 229.320 1.177 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000082644683 643358981 /nfs/dbraw/zinc/35/89/81/643358981.db2.gz ATJWHQNPTBBVEI-NSHDSACASA-N 1 2 222.288 1.784 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000082644683 643358988 /nfs/dbraw/zinc/35/89/88/643358988.db2.gz ATJWHQNPTBBVEI-NSHDSACASA-N 1 2 222.288 1.784 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](F)CC ZINC001032249334 643399546 /nfs/dbraw/zinc/39/95/46/643399546.db2.gz IOIRPBVBVLENJH-SRVKXCTJSA-N 1 2 242.338 1.820 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](F)CC ZINC001032249334 643399556 /nfs/dbraw/zinc/39/95/56/643399556.db2.gz IOIRPBVBVLENJH-SRVKXCTJSA-N 1 2 242.338 1.820 20 0 BDADLO C[C@@H]1CCC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000073180965 643408310 /nfs/dbraw/zinc/40/83/10/643408310.db2.gz PJWOMLSPKAVMKE-SECBINFHSA-N 1 2 226.349 1.640 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000073180965 643408317 /nfs/dbraw/zinc/40/83/17/643408317.db2.gz PJWOMLSPKAVMKE-SECBINFHSA-N 1 2 226.349 1.640 20 0 BDADLO Cc1nonc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000733897339 643478275 /nfs/dbraw/zinc/47/82/75/643478275.db2.gz AYMKBOWGKBRPDR-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nonc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000733897339 643478279 /nfs/dbraw/zinc/47/82/79/643478279.db2.gz AYMKBOWGKBRPDR-JTQLQIEISA-N 1 2 225.292 1.379 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)cn1 ZINC000307486566 643488360 /nfs/dbraw/zinc/48/83/60/643488360.db2.gz BYWUKPAQPLLRQT-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)cn1 ZINC000307486566 643488364 /nfs/dbraw/zinc/48/83/64/643488364.db2.gz BYWUKPAQPLLRQT-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO O=C(C1=COCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000734125380 643491801 /nfs/dbraw/zinc/49/18/01/643491801.db2.gz DGNASRVPLKZYBG-GFCCVEGCSA-N 1 2 247.298 1.351 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000735318887 643535008 /nfs/dbraw/zinc/53/50/08/643535008.db2.gz XPISPNZFSKXCJA-LLVKDONJSA-N 1 2 247.338 1.943 20 0 BDADLO CO[C@H]1CCC[C@H]1[NH2+]Cc1cn[nH]c1C ZINC000049948592 643564436 /nfs/dbraw/zinc/56/44/36/643564436.db2.gz WEOBJQFDFKDQNS-MNOVXSKESA-N 1 2 209.293 1.375 20 0 BDADLO CC1(C)C[N@H+](CN2CCSC2=O)CCS1 ZINC000083630727 643598795 /nfs/dbraw/zinc/59/87/95/643598795.db2.gz VLYLFZQZIGALQE-UHFFFAOYSA-N 1 2 246.401 1.940 20 0 BDADLO CC1(C)C[N@@H+](CN2CCSC2=O)CCS1 ZINC000083630727 643598799 /nfs/dbraw/zinc/59/87/99/643598799.db2.gz VLYLFZQZIGALQE-UHFFFAOYSA-N 1 2 246.401 1.940 20 0 BDADLO Cc1ncc(C[NH+]2CC(O)(C(C)C)C2)s1 ZINC000084376631 643659507 /nfs/dbraw/zinc/65/95/07/643659507.db2.gz LOCCHJZCTNMFJY-UHFFFAOYSA-N 1 2 226.345 1.654 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000160584263 643692095 /nfs/dbraw/zinc/69/20/95/643692095.db2.gz YNFHFBDPHCWMMT-NXEZZACHSA-N 1 2 231.361 1.765 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000160584263 643692100 /nfs/dbraw/zinc/69/21/00/643692100.db2.gz YNFHFBDPHCWMMT-NXEZZACHSA-N 1 2 231.361 1.765 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000354337715 643771844 /nfs/dbraw/zinc/77/18/44/643771844.db2.gz XWQGSVUPTZVNLT-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000354337715 643771846 /nfs/dbraw/zinc/77/18/46/643771846.db2.gz XWQGSVUPTZVNLT-ZYHUDNBSSA-N 1 2 235.331 1.989 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC1(Cl)Cl ZINC000085987461 643881489 /nfs/dbraw/zinc/88/14/89/643881489.db2.gz IVALFLQEMQYJHD-SSDOTTSWSA-N 1 2 249.097 1.657 20 0 BDADLO CC(C)=CC(=O)OCc1ccc[nH+]c1N ZINC000922167043 643885889 /nfs/dbraw/zinc/88/58/89/643885889.db2.gz LQHWTUFIYNKPBQ-UHFFFAOYSA-N 1 2 206.245 1.673 20 0 BDADLO Cc1noc(C)c1C(=O)OCc1ccc[nH+]c1N ZINC000922189019 643896136 /nfs/dbraw/zinc/89/61/36/643896136.db2.gz IUYIGTPISQMZJU-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO CC[C@@H](OC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922396980 643987444 /nfs/dbraw/zinc/98/74/44/643987444.db2.gz OQMFOGVKAJSBGY-SECBINFHSA-N 1 2 224.260 1.132 20 0 BDADLO CSC[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922430722 643993805 /nfs/dbraw/zinc/99/38/05/643993805.db2.gz UAAXCIWJOAJZEP-MRVPVSSYSA-N 1 2 240.328 1.706 20 0 BDADLO CC1=C(C(=O)OCc2ccc(N)[nH+]c2)CCCO1 ZINC000922562186 644020656 /nfs/dbraw/zinc/02/06/56/644020656.db2.gz ZIBHVPJKDGIVDR-UHFFFAOYSA-N 1 2 248.282 1.791 20 0 BDADLO CO[C@H](C)CCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922601398 644039723 /nfs/dbraw/zinc/03/97/23/644039723.db2.gz ZKDQHACSXIFNAG-SECBINFHSA-N 1 2 238.287 1.522 20 0 BDADLO C[C@@]1(C(=O)OCc2ccc(N)[nH+]c2)CCOC1 ZINC000922607124 644040356 /nfs/dbraw/zinc/04/03/56/644040356.db2.gz MCMFMWMLTASCAZ-GFCCVEGCSA-N 1 2 236.271 1.134 20 0 BDADLO CC(C)(C(=O)OCc1ccc(N)[nH+]c1)C(F)F ZINC000922684368 644067782 /nfs/dbraw/zinc/06/77/82/644067782.db2.gz OYHBDKYCBWZTIR-UHFFFAOYSA-N 1 2 244.241 1.998 20 0 BDADLO Nc1ccc(COC(=O)/C=C\[C@H]2CCCO2)c[nH+]1 ZINC000922816311 644107083 /nfs/dbraw/zinc/10/70/83/644107083.db2.gz OEWJVOGPKILTHD-VLWUPBBWSA-N 1 2 248.282 1.442 20 0 BDADLO Cc1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000073957345 644149906 /nfs/dbraw/zinc/14/99/06/644149906.db2.gz YZJAUCKKCMOTJW-UHFFFAOYSA-N 1 2 232.243 1.215 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922942211 644196061 /nfs/dbraw/zinc/19/60/61/644196061.db2.gz SLCQJRGGKMLRDU-PSASIEDQSA-N 1 2 236.271 1.132 20 0 BDADLO Cn1cnn(C[N@H+](C)C2CCCC2)c1=S ZINC000192936361 644199661 /nfs/dbraw/zinc/19/96/61/644199661.db2.gz MCWCMAAVBVVQBS-UHFFFAOYSA-N 1 2 226.349 1.783 20 0 BDADLO Cn1cnn(C[N@@H+](C)C2CCCC2)c1=S ZINC000192936361 644199665 /nfs/dbraw/zinc/19/96/65/644199665.db2.gz MCWCMAAVBVVQBS-UHFFFAOYSA-N 1 2 226.349 1.783 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc(C3CC3)n(C)n2)cn1 ZINC000922956249 644200939 /nfs/dbraw/zinc/20/09/39/644200939.db2.gz ZYKXOFUIBQYRKV-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO Cc1[nH]cc(-c2ccnc(N(C)C)c2)[nH+]1 ZINC000079701255 644204536 /nfs/dbraw/zinc/20/45/36/644204536.db2.gz GRTWKJYUKYDDNQ-UHFFFAOYSA-N 1 2 202.261 1.846 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000193897575 644288813 /nfs/dbraw/zinc/28/88/13/644288813.db2.gz VHTBAXHZRVAHBL-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000193897575 644288817 /nfs/dbraw/zinc/28/88/17/644288817.db2.gz VHTBAXHZRVAHBL-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO C[N@@H+]1CCN(C(=O)C(F)(F)F)CC1(C)C ZINC000081573678 644334639 /nfs/dbraw/zinc/33/46/39/644334639.db2.gz SWBQHXGVWKOFFN-UHFFFAOYSA-N 1 2 224.226 1.101 20 0 BDADLO C[N@H+]1CCN(C(=O)C(F)(F)F)CC1(C)C ZINC000081573678 644334642 /nfs/dbraw/zinc/33/46/42/644334642.db2.gz SWBQHXGVWKOFFN-UHFFFAOYSA-N 1 2 224.226 1.101 20 0 BDADLO CNc1cc(NC[C@@H]2CCCCO2)[nH+]cn1 ZINC000087824655 644505110 /nfs/dbraw/zinc/50/51/10/644505110.db2.gz MZLNKFWVDPDGEQ-VIFPVBQESA-N 1 2 222.292 1.499 20 0 BDADLO Cc1ncoc1C(=O)OCc1c[nH+]cn1C ZINC000755704072 644618518 /nfs/dbraw/zinc/61/85/18/644618518.db2.gz PJYFZOBVNFJPLA-UHFFFAOYSA-N 1 2 221.216 1.074 20 0 BDADLO c1cn(Cc2cccc3nsnc32)c[nH+]1 ZINC000766846092 644671701 /nfs/dbraw/zinc/67/17/01/644671701.db2.gz JBKVGHIXEPZKCT-UHFFFAOYSA-N 1 2 216.269 1.936 20 0 BDADLO C=CCCCO[NH+]=C(N)Cc1cccnc1 ZINC000092916107 644672797 /nfs/dbraw/zinc/67/27/97/644672797.db2.gz MZKPKCITMMOCLS-UHFFFAOYSA-N 1 2 219.288 1.879 20 0 BDADLO CC[NH+]1CCN(C(=O)c2cnoc2C2CC2)CC1 ZINC000957039517 644678966 /nfs/dbraw/zinc/67/89/66/644678966.db2.gz YLPUSLTWBRQYDT-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000769114350 644678904 /nfs/dbraw/zinc/67/89/04/644678904.db2.gz KOAXNKALAGQRAA-UHFFFAOYSA-N 1 2 222.288 1.164 20 0 BDADLO CCc1ccc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000769114350 644678907 /nfs/dbraw/zinc/67/89/07/644678907.db2.gz KOAXNKALAGQRAA-UHFFFAOYSA-N 1 2 222.288 1.164 20 0 BDADLO CC/C=C(/C)C(=O)OCCn1cc[nH+]c1 ZINC000771872590 644690609 /nfs/dbraw/zinc/69/06/09/644690609.db2.gz GOWLAIXXUMZUKV-WMZJFQQLSA-N 1 2 208.261 1.783 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000792266808 644795191 /nfs/dbraw/zinc/79/51/91/644795191.db2.gz AVNZYPKHWNWGBF-KHQFGBGNSA-N 1 2 219.292 1.163 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000792266808 644795199 /nfs/dbraw/zinc/79/51/99/644795199.db2.gz AVNZYPKHWNWGBF-KHQFGBGNSA-N 1 2 219.292 1.163 20 0 BDADLO Cc1cc(NC(=O)c2csc(=O)[nH]2)c(C)c[nH+]1 ZINC000792258316 644795713 /nfs/dbraw/zinc/79/57/13/644795713.db2.gz ZESPFDQREIPEOV-UHFFFAOYSA-N 1 2 249.295 1.535 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)Cc1ccco1 ZINC000793240107 644802111 /nfs/dbraw/zinc/80/21/11/644802111.db2.gz CXTGQXPWXFHYGB-UHFFFAOYSA-N 1 2 234.255 1.342 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)C(=O)OC(C)(C)C ZINC000252746041 644896980 /nfs/dbraw/zinc/89/69/80/644896980.db2.gz BCKWJOXSVXKPTB-LPEHRKFASA-N 1 2 231.336 1.466 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)OC1CCC1 ZINC000830002456 645113910 /nfs/dbraw/zinc/11/39/10/645113910.db2.gz KNJXGFNXCSLOKG-VIFPVBQESA-N 1 2 223.276 1.550 20 0 BDADLO C[N@H+](CN1C(=O)CC12CCCC2)[C@@H]1CCOC1 ZINC000844693103 645345017 /nfs/dbraw/zinc/34/50/17/645345017.db2.gz SZFUSYXUQRLYAM-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[N@@H+](CN1C(=O)CC12CCCC2)[C@@H]1CCOC1 ZINC000844693103 645345022 /nfs/dbraw/zinc/34/50/22/645345022.db2.gz SZFUSYXUQRLYAM-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@H](C)C2(Cl)CC2)n1 ZINC000926691466 645360513 /nfs/dbraw/zinc/36/05/13/645360513.db2.gz ASTJFMRFITVQLT-SSDOTTSWSA-N 1 2 244.726 1.201 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]1c1cccnc1 ZINC000847032000 645421875 /nfs/dbraw/zinc/42/18/75/645421875.db2.gz ONMXCMZOLUQSFR-MNOVXSKESA-N 1 2 242.282 1.020 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1cnn(C)n1 ZINC000926790043 645435201 /nfs/dbraw/zinc/43/52/01/645435201.db2.gz ZGFGOWYDNIDEAM-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@H]1C[N@H+](CN2CCC2=O)CCC1(F)F ZINC000857237377 645541131 /nfs/dbraw/zinc/54/11/31/645541131.db2.gz PEEAQEUTVDXSEC-QMMMGPOBSA-N 1 2 218.247 1.153 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCC2=O)CCC1(F)F ZINC000857237377 645541142 /nfs/dbraw/zinc/54/11/42/645541142.db2.gz PEEAQEUTVDXSEC-QMMMGPOBSA-N 1 2 218.247 1.153 20 0 BDADLO CC1(C)C[N@H+](CN2CCC2=O)[C@@H]1[C@@H]1CCCO1 ZINC000857237474 645542172 /nfs/dbraw/zinc/54/21/72/645542172.db2.gz QUGJUOUMCQQFFL-CMPLNLGQSA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)C[N@@H+](CN2CCC2=O)[C@@H]1[C@@H]1CCCO1 ZINC000857237474 645542185 /nfs/dbraw/zinc/54/21/85/645542185.db2.gz QUGJUOUMCQQFFL-CMPLNLGQSA-N 1 2 238.331 1.066 20 0 BDADLO CCOCCOCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000927085807 645544162 /nfs/dbraw/zinc/54/41/62/645544162.db2.gz AQKHUHCWHKZFRC-JTQLQIEISA-N 1 2 241.335 1.422 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc2c(c1)COC2 ZINC000857479154 645573442 /nfs/dbraw/zinc/57/34/42/645573442.db2.gz TZEDDJJZSFZWPD-UHFFFAOYSA-N 1 2 243.266 1.621 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@](C)(F)C1 ZINC000857517174 645583873 /nfs/dbraw/zinc/58/38/73/645583873.db2.gz OGLYDNWTRPXVDF-GFCCVEGCSA-N 1 2 239.294 1.313 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927780580 645658680 /nfs/dbraw/zinc/65/86/80/645658680.db2.gz JYDOUQRSRMCLJQ-SECBINFHSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000928037369 645677177 /nfs/dbraw/zinc/67/71/77/645677177.db2.gz ACTMAQVHJFBXPF-KXGXSXBTSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000928037369 645677187 /nfs/dbraw/zinc/67/71/87/645677187.db2.gz ACTMAQVHJFBXPF-KXGXSXBTSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000928040862 645684685 /nfs/dbraw/zinc/68/46/85/645684685.db2.gz RMJBYKRBWAHRKC-CHWFTXMASA-N 1 2 233.315 1.503 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883092335 645848223 /nfs/dbraw/zinc/84/82/23/645848223.db2.gz MEYGQVRZAALWCJ-UHFFFAOYSA-N 1 2 238.335 1.101 20 0 BDADLO CC1=CCC[N@H+](Cc2noc3c2COCC3)C1 ZINC000930305484 645949362 /nfs/dbraw/zinc/94/93/62/645949362.db2.gz ISENZCFKJUIAPZ-UHFFFAOYSA-N 1 2 234.299 1.899 20 0 BDADLO CC1=CCC[N@@H+](Cc2noc3c2COCC3)C1 ZINC000930305484 645949369 /nfs/dbraw/zinc/94/93/69/645949369.db2.gz ISENZCFKJUIAPZ-UHFFFAOYSA-N 1 2 234.299 1.899 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC2(CCC2)CO1 ZINC000924111064 645983500 /nfs/dbraw/zinc/98/35/00/645983500.db2.gz BCMICANXPOWNGU-LLVKDONJSA-N 1 2 249.314 1.028 20 0 BDADLO CCc1ncc(C[N@@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000929231964 646023970 /nfs/dbraw/zinc/02/39/70/646023970.db2.gz OBRJXGMHZJIQJU-SNVBAGLBSA-N 1 2 237.303 1.077 20 0 BDADLO CCc1ncc(C[N@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000929231964 646023974 /nfs/dbraw/zinc/02/39/74/646023974.db2.gz OBRJXGMHZJIQJU-SNVBAGLBSA-N 1 2 237.303 1.077 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC000929286468 646062594 /nfs/dbraw/zinc/06/25/94/646062594.db2.gz QNCXHNUHOYJJGV-ZYHUDNBSSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ncccn2)C1 ZINC000929286468 646062597 /nfs/dbraw/zinc/06/25/97/646062597.db2.gz QNCXHNUHOYJJGV-ZYHUDNBSSA-N 1 2 248.330 1.138 20 0 BDADLO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ncco1 ZINC000924555038 646065863 /nfs/dbraw/zinc/06/58/63/646065863.db2.gz YGAVVFXIFUAKMG-VIFPVBQESA-N 1 2 225.292 1.097 20 0 BDADLO COCC[N@H+](Cc1nncs1)C1CCCC1 ZINC000929330304 646082832 /nfs/dbraw/zinc/08/28/32/646082832.db2.gz FGEHYXWRAFOAMS-UHFFFAOYSA-N 1 2 241.360 1.929 20 0 BDADLO COCC[N@@H+](Cc1nncs1)C1CCCC1 ZINC000929330304 646082837 /nfs/dbraw/zinc/08/28/37/646082837.db2.gz FGEHYXWRAFOAMS-UHFFFAOYSA-N 1 2 241.360 1.929 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccnn2C)n1 ZINC000924642892 646084674 /nfs/dbraw/zinc/08/46/74/646084674.db2.gz JXCGBXXLFQYMHW-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000929347410 646089966 /nfs/dbraw/zinc/08/99/66/646089966.db2.gz IWFQRLXJMVBMOA-UHFFFAOYSA-N 1 2 241.310 1.463 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cnn(CCF)c1 ZINC000929347410 646089968 /nfs/dbraw/zinc/08/99/68/646089968.db2.gz IWFQRLXJMVBMOA-UHFFFAOYSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000924693951 646090979 /nfs/dbraw/zinc/09/09/79/646090979.db2.gz CRIZJPWBTPTZRD-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1c(F)cncc1F ZINC000929522300 646171988 /nfs/dbraw/zinc/17/19/88/646171988.db2.gz VARNPQJTKUQYRN-QMMMGPOBSA-N 1 2 228.242 1.317 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1c(F)cncc1F ZINC000929522300 646171996 /nfs/dbraw/zinc/17/19/96/646171996.db2.gz VARNPQJTKUQYRN-QMMMGPOBSA-N 1 2 228.242 1.317 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cnn(C)n1 ZINC000925088591 646179971 /nfs/dbraw/zinc/17/99/71/646179971.db2.gz LTYCNPJJJTVFIE-GXFFZTMASA-N 1 2 246.314 1.199 20 0 BDADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929594543 646191253 /nfs/dbraw/zinc/19/12/53/646191253.db2.gz FQTYNBWUKBAVPG-IUCAKERBSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929594543 646191256 /nfs/dbraw/zinc/19/12/56/646191256.db2.gz FQTYNBWUKBAVPG-IUCAKERBSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+](C)CCn1cccn1 ZINC000929621121 646208039 /nfs/dbraw/zinc/20/80/39/646208039.db2.gz IQENMCOHTQBSHX-NSHDSACASA-N 1 2 231.303 1.366 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+](C)CCn1cccn1 ZINC000929621121 646208045 /nfs/dbraw/zinc/20/80/45/646208045.db2.gz IQENMCOHTQBSHX-NSHDSACASA-N 1 2 231.303 1.366 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)nnc1C ZINC000929658658 646226832 /nfs/dbraw/zinc/22/68/32/646226832.db2.gz CKQKWASQPKNPJS-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)nnc1C ZINC000929658658 646226839 /nfs/dbraw/zinc/22/68/39/646226839.db2.gz CKQKWASQPKNPJS-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOC1CC1 ZINC000929678687 646236489 /nfs/dbraw/zinc/23/64/89/646236489.db2.gz FECMTHLYINCMKH-FCHSOHFDSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOC1CC1 ZINC000929678687 646236491 /nfs/dbraw/zinc/23/64/91/646236491.db2.gz FECMTHLYINCMKH-FCHSOHFDSA-N 1 2 231.361 1.007 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2c(F)cncc2F)C1 ZINC000929697358 646251985 /nfs/dbraw/zinc/25/19/85/646251985.db2.gz SNLRRIODALZKAB-MRVPVSSYSA-N 1 2 228.242 1.174 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000929697358 646251990 /nfs/dbraw/zinc/25/19/90/646251990.db2.gz SNLRRIODALZKAB-MRVPVSSYSA-N 1 2 228.242 1.174 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1cnnn1C ZINC000925592254 646349832 /nfs/dbraw/zinc/34/98/32/646349832.db2.gz GZKQFCXIZAMVHD-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn(CCF)c2)[C@H]1C ZINC000929846185 646357156 /nfs/dbraw/zinc/35/71/56/646357156.db2.gz HRIALSRJZJWXOG-WDEREUQCSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn(CCF)c2)[C@H]1C ZINC000929846185 646357162 /nfs/dbraw/zinc/35/71/62/646357162.db2.gz HRIALSRJZJWXOG-WDEREUQCSA-N 1 2 241.310 1.462 20 0 BDADLO CCN(CCOC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930029637 646402799 /nfs/dbraw/zinc/40/27/99/646402799.db2.gz SBWSXIDBZUPRLZ-UHFFFAOYSA-N 1 2 247.298 1.671 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCOCC12CCC2 ZINC000930064575 646416949 /nfs/dbraw/zinc/41/69/49/646416949.db2.gz DGONFSVFFHOGDR-DHZHZOJOSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCOCC12CCC2 ZINC000930064575 646416950 /nfs/dbraw/zinc/41/69/50/646416950.db2.gz DGONFSVFFHOGDR-DHZHZOJOSA-N 1 2 239.315 1.361 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125358 646447436 /nfs/dbraw/zinc/44/74/36/646447436.db2.gz NWKQZBOLCPPHER-KOLCDFICSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930125358 646447439 /nfs/dbraw/zinc/44/74/39/646447439.db2.gz NWKQZBOLCPPHER-KOLCDFICSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000930147617 646459085 /nfs/dbraw/zinc/45/90/85/646459085.db2.gz UULBCDMMYUCANK-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930147617 646459088 /nfs/dbraw/zinc/45/90/88/646459088.db2.gz UULBCDMMYUCANK-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@@H]1COC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000926006154 646555901 /nfs/dbraw/zinc/55/59/01/646555901.db2.gz AUGWTPNYJTXUCF-RKDXNWHRSA-N 1 2 239.319 1.492 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc(O)cc1 ZINC000034346482 646594008 /nfs/dbraw/zinc/59/40/08/646594008.db2.gz FHIJISWSIDWJOO-UHFFFAOYSA-N 1 2 232.239 1.446 20 0 BDADLO CCCCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724726325 711609830 /nfs/dbraw/zinc/60/98/30/711609830.db2.gz CFLFGUPUQOHOOK-ZETCQYMHSA-N 1 2 208.252 1.275 20 0 BDADLO [NH3+][C@@H](CC(=O)NC1CCCCCC1)C(F)F ZINC000724752380 711610722 /nfs/dbraw/zinc/61/07/22/711610722.db2.gz PTUNMRBYYBICPN-VIFPVBQESA-N 1 2 234.290 1.808 20 0 BDADLO CC(C)CN(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000724726625 711610048 /nfs/dbraw/zinc/61/00/48/711610048.db2.gz DWZNDGDLSKKIPO-ZETCQYMHSA-N 1 2 208.252 1.083 20 0 BDADLO Cc1nc(N[C@H]2CC23CC(O)C3)cc[nH+]1 ZINC000724963595 711638473 /nfs/dbraw/zinc/63/84/73/711638473.db2.gz XWLHDLSGEAOBAK-YUCVTWSNSA-N 1 2 205.261 1.110 20 0 BDADLO C[C@H]([NH2+]C/C=C\Cl)c1cn(C)nn1 ZINC000720603851 711685449 /nfs/dbraw/zinc/68/54/49/711685449.db2.gz VVTHBIGVNALTHX-AVALRIAPSA-N 1 2 200.673 1.218 20 0 BDADLO CC[N@H+](CCOC1CCCCC1)CC(=O)OC ZINC000701390758 712021912 /nfs/dbraw/zinc/02/19/12/712021912.db2.gz VANCZTDRHVMHSL-UHFFFAOYSA-N 1 2 243.347 1.831 20 0 BDADLO CC[N@@H+](CCOC1CCCCC1)CC(=O)OC ZINC000701390758 712021916 /nfs/dbraw/zinc/02/19/16/712021916.db2.gz VANCZTDRHVMHSL-UHFFFAOYSA-N 1 2 243.347 1.831 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H](F)C1 ZINC000701906341 712031801 /nfs/dbraw/zinc/03/18/01/712031801.db2.gz ZZQUPGTUWSTWFN-NAZIUFLLSA-N 1 2 215.268 1.540 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@H](F)C1 ZINC000701906341 712031802 /nfs/dbraw/zinc/03/18/02/712031802.db2.gz ZZQUPGTUWSTWFN-NAZIUFLLSA-N 1 2 215.268 1.540 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CC23CC3)c[nH+]1 ZINC000705147525 712122972 /nfs/dbraw/zinc/12/29/72/712122972.db2.gz ZIMDGGXGAFXWRT-VIFPVBQESA-N 1 2 217.272 1.080 20 0 BDADLO CCOC(=O)[C@@H](C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000709048363 712206717 /nfs/dbraw/zinc/20/67/17/712206717.db2.gz JLPISGQKEWGDMD-SECBINFHSA-N 1 2 225.292 1.068 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+]Cc1cscn1 ZINC000710910460 712262539 /nfs/dbraw/zinc/26/25/39/712262539.db2.gz OLTUOUPRSZBNMO-VIFPVBQESA-N 1 2 228.317 1.384 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC000379367779 712377351 /nfs/dbraw/zinc/37/73/51/712377351.db2.gz WAHANUBFZUNYIZ-XFKLZBFNSA-N 1 2 222.115 1.620 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC000379367779 712377354 /nfs/dbraw/zinc/37/73/54/712377354.db2.gz WAHANUBFZUNYIZ-XFKLZBFNSA-N 1 2 222.115 1.620 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2ccns2)on1 ZINC000715897715 712541193 /nfs/dbraw/zinc/54/11/93/712541193.db2.gz DQHIIHRNYNJCIW-ZETCQYMHSA-N 1 2 239.300 1.991 20 0 BDADLO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000716855224 712578859 /nfs/dbraw/zinc/57/88/59/712578859.db2.gz IBVDYRKGTJYMRJ-HBNTYKKESA-N 1 2 245.363 1.856 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1cc(NC)nc[nH+]1 ZINC000716864210 712579118 /nfs/dbraw/zinc/57/91/18/712579118.db2.gz GRBZLNDFJWFOQR-IUCAKERBSA-N 1 2 224.308 1.480 20 0 BDADLO CNc1cc(N[C@H]2CCS[C@H]2C)nc[nH+]1 ZINC000380177015 712706258 /nfs/dbraw/zinc/70/62/58/712706258.db2.gz KHTNYGXCIGHZSX-YUMQZZPRSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@H]2CCS[C@H]2C)[nH+]cn1 ZINC000380177015 712706261 /nfs/dbraw/zinc/70/62/61/712706261.db2.gz KHTNYGXCIGHZSX-YUMQZZPRSA-N 1 2 224.333 1.824 20 0 BDADLO Cc1coc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000718560319 712772297 /nfs/dbraw/zinc/77/22/97/712772297.db2.gz PSVXHWGWXHZEDK-JTQLQIEISA-N 1 2 222.288 1.364 20 0 BDADLO Cc1coc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000718560319 712772299 /nfs/dbraw/zinc/77/22/99/712772299.db2.gz PSVXHWGWXHZEDK-JTQLQIEISA-N 1 2 222.288 1.364 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)[C@@H]2CCCO2)n1 ZINC000720608108 712858481 /nfs/dbraw/zinc/85/84/81/712858481.db2.gz IIIMDOFISYLCGS-IUCAKERBSA-N 1 2 225.292 1.462 20 0 BDADLO O=C(NC[C@H]1CC[N@H+]1C/C=C/Cl)C1CC1 ZINC001037996588 712897677 /nfs/dbraw/zinc/89/76/77/712897677.db2.gz MDPSATMEEXKFHV-XOTMTNNUSA-N 1 2 228.723 1.339 20 0 BDADLO O=C(NC[C@H]1CC[N@@H+]1C/C=C/Cl)C1CC1 ZINC001037996588 712897678 /nfs/dbraw/zinc/89/76/78/712897678.db2.gz MDPSATMEEXKFHV-XOTMTNNUSA-N 1 2 228.723 1.339 20 0 BDADLO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCOC2=O)C1(C)C ZINC000381322061 710621217 /nfs/dbraw/zinc/62/12/17/710621217.db2.gz PCMIWLBKEGOCAJ-VDDIYKPWSA-N 1 2 227.304 1.095 20 0 BDADLO C/C=C\C(=O)NCCCNc1cccc[nH+]1 ZINC000381364704 710627848 /nfs/dbraw/zinc/62/78/48/710627848.db2.gz DTZNBKXRIMHNHP-KXFIGUGUSA-N 1 2 219.288 1.576 20 0 BDADLO CC[C@H]([NH2+]CC(=O)N(C)OC)c1nccs1 ZINC000381353222 710626270 /nfs/dbraw/zinc/62/62/70/710626270.db2.gz CHPMSRQWGZJTAM-QMMMGPOBSA-N 1 2 243.332 1.204 20 0 BDADLO CNc1cc(N2CC[C@](C)(COC)C2)nc[nH+]1 ZINC000381694570 710670230 /nfs/dbraw/zinc/67/02/30/710670230.db2.gz GAJNAEAJWFKPCH-LBPRGKRZSA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N2CC[C@](C)(COC)C2)[nH+]cn1 ZINC000381694570 710670235 /nfs/dbraw/zinc/67/02/35/710670235.db2.gz GAJNAEAJWFKPCH-LBPRGKRZSA-N 1 2 236.319 1.381 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001038601149 710696853 /nfs/dbraw/zinc/69/68/53/710696853.db2.gz XLCAKBQJJMMTDO-MIBAKCDKSA-N 1 2 242.750 1.585 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001038601149 710696856 /nfs/dbraw/zinc/69/68/56/710696856.db2.gz XLCAKBQJJMMTDO-MIBAKCDKSA-N 1 2 242.750 1.585 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2c(C)noc2C)C1 ZINC001042464891 710783999 /nfs/dbraw/zinc/78/39/99/710783999.db2.gz NPCLHRQGJHJGJG-UHFFFAOYSA-N 1 2 237.303 1.068 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)cs2)C1 ZINC001042694574 710796423 /nfs/dbraw/zinc/79/64/23/710796423.db2.gz LSZDZUNBLSDMNT-UHFFFAOYSA-N 1 2 238.356 1.833 20 0 BDADLO CCc1nocc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001043790914 710813198 /nfs/dbraw/zinc/81/31/98/710813198.db2.gz XJVNLMALOSGPKR-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2nc(C)oc2C)C1 ZINC001044085299 710818086 /nfs/dbraw/zinc/81/80/86/710818086.db2.gz UZUKHQGGQZTJJG-UHFFFAOYSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1cnoc1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001044133840 710820293 /nfs/dbraw/zinc/82/02/93/710820293.db2.gz JICHYTDMFSZLMF-UHFFFAOYSA-N 1 2 237.303 1.148 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccccc2OC)C1 ZINC001044221245 710821973 /nfs/dbraw/zinc/82/19/73/710821973.db2.gz PRLYDPSPYWZJQK-UHFFFAOYSA-N 1 2 248.326 1.471 20 0 BDADLO CC[C@H]1CN(c2cc(NC)[nH+]cn2)CCS1 ZINC000133258387 710969558 /nfs/dbraw/zinc/96/95/58/710969558.db2.gz BUCBROTWAZMOPD-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO CC[C@H]1CN(c2cc(NC)nc[nH+]2)CCS1 ZINC000133258387 710969560 /nfs/dbraw/zinc/96/95/60/710969560.db2.gz BUCBROTWAZMOPD-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO CNc1cc(N[C@@H](CO)C2CCCC2)nc[nH+]1 ZINC000386131031 711023324 /nfs/dbraw/zinc/02/33/24/711023324.db2.gz OKBNGDYUGLMIBM-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO CNc1cc(N[C@@H](CO)C2CCCC2)[nH+]cn1 ZINC000386131031 711023327 /nfs/dbraw/zinc/02/33/27/711023327.db2.gz OKBNGDYUGLMIBM-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO CCCNc1cc(N2C[C@H](O)[C@@H](C)C2)nc[nH+]1 ZINC000388257322 711056010 /nfs/dbraw/zinc/05/60/10/711056010.db2.gz LNSVNUFEWOMYLS-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO CCCNc1cc(N2C[C@H](O)[C@@H](C)C2)[nH+]cn1 ZINC000388257322 711056016 /nfs/dbraw/zinc/05/60/16/711056016.db2.gz LNSVNUFEWOMYLS-UWVGGRQHSA-N 1 2 236.319 1.116 20 0 BDADLO CCCNc1cc(N2C[C@H](C)[C@H](O)C2)nc[nH+]1 ZINC000388257324 711056256 /nfs/dbraw/zinc/05/62/56/711056256.db2.gz LNSVNUFEWOMYLS-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO CCCNc1cc(N2C[C@H](C)[C@H](O)C2)[nH+]cn1 ZINC000388257324 711056260 /nfs/dbraw/zinc/05/62/60/711056260.db2.gz LNSVNUFEWOMYLS-VHSXEESVSA-N 1 2 236.319 1.116 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000386885530 711038137 /nfs/dbraw/zinc/03/81/37/711038137.db2.gz GENPCQDAAWFJKI-VXGBXAGGSA-N 1 2 243.347 1.734 20 0 BDADLO CNc1cc(N[C@@H](C)[C@@H](OC)C2CC2)nc[nH+]1 ZINC000388294122 711057194 /nfs/dbraw/zinc/05/71/94/711057194.db2.gz YQVOLXBSMDVVMP-QPUJVOFHSA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@@H](C)[C@@H](OC)C2CC2)[nH+]cn1 ZINC000388294122 711057197 /nfs/dbraw/zinc/05/71/97/711057197.db2.gz YQVOLXBSMDVVMP-QPUJVOFHSA-N 1 2 236.319 1.744 20 0 BDADLO Cc1cc(NCc2cnn(C)n2)nc(C(C)C)[nH+]1 ZINC000389927770 711098493 /nfs/dbraw/zinc/09/84/93/711098493.db2.gz FJIMAPIDEGZWBY-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000390436324 711117325 /nfs/dbraw/zinc/11/73/25/711117325.db2.gz SIHIAFKYNAIAKM-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@H](CO)CC2)c1 ZINC000393464039 711160710 /nfs/dbraw/zinc/16/07/10/711160710.db2.gz NDLPHJBKZIFMET-NSHDSACASA-N 1 2 236.315 1.173 20 0 BDADLO c1csc(NCCCNc2cccc[nH+]2)n1 ZINC000381383976 710631023 /nfs/dbraw/zinc/63/10/23/710631023.db2.gz LKUSDYBQRFRVDK-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO [NH3+][C@H](CC(=O)NC(C1CC1)C1CC1)C(F)F ZINC000724698396 710746002 /nfs/dbraw/zinc/74/60/02/710746002.db2.gz DWLKLCNAKMTLHM-MRVPVSSYSA-N 1 2 232.274 1.274 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)nc2)[nH]1 ZINC000392446639 711146410 /nfs/dbraw/zinc/14/64/10/711146410.db2.gz DPCHVTIRLGOHDB-SECBINFHSA-N 1 2 231.303 1.667 20 0 BDADLO CNc1cc(N[C@H]2CS[C@H](C)C2)nc[nH+]1 ZINC000397826133 711392946 /nfs/dbraw/zinc/39/29/46/711392946.db2.gz BAXWCMUUQMRMHO-HTQZYQBOSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@H]2CS[C@H](C)C2)[nH+]cn1 ZINC000397826133 711392949 /nfs/dbraw/zinc/39/29/49/711392949.db2.gz BAXWCMUUQMRMHO-HTQZYQBOSA-N 1 2 224.333 1.824 20 0 BDADLO C[C@H]([N@H+](C)Cc1cnsn1)C(C)(C)O ZINC000399708183 711434357 /nfs/dbraw/zinc/43/43/57/711434357.db2.gz AVDFTTOQUDDQHM-ZETCQYMHSA-N 1 2 215.322 1.129 20 0 BDADLO C[C@H]([N@@H+](C)Cc1cnsn1)C(C)(C)O ZINC000399708183 711434360 /nfs/dbraw/zinc/43/43/60/711434360.db2.gz AVDFTTOQUDDQHM-ZETCQYMHSA-N 1 2 215.322 1.129 20 0 BDADLO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1nccs1 ZINC000080277634 711483284 /nfs/dbraw/zinc/48/32/84/711483284.db2.gz GMEVNWJATSDMBF-MRVPVSSYSA-N 1 2 248.373 1.228 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@]2(C)CO)cc1Cl ZINC000723038844 711496816 /nfs/dbraw/zinc/49/68/16/711496816.db2.gz DIMKKQFLWXRXGU-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@]2(C)CO)cc1Cl ZINC000723038844 711496817 /nfs/dbraw/zinc/49/68/17/711496817.db2.gz DIMKKQFLWXRXGU-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Nc1cc(F)ccc1C(=O)OCCn1cc[nH+]c1 ZINC000386228053 711499995 /nfs/dbraw/zinc/49/99/95/711499995.db2.gz LPNZEDCUCXEPRL-UHFFFAOYSA-N 1 2 249.245 1.461 20 0 BDADLO FCC[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000308880099 711572675 /nfs/dbraw/zinc/57/26/75/711572675.db2.gz PPOZCMHLRRXAQW-UHFFFAOYSA-N 1 2 232.280 1.248 20 0 BDADLO CC[C@@H](C)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000192103017 711708201 /nfs/dbraw/zinc/70/82/01/711708201.db2.gz LWVJGYRQNPLWOD-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO CCN1CCC[C@H](Nc2cc[nH+]c(C)n2)C1=O ZINC000722342720 711742078 /nfs/dbraw/zinc/74/20/78/711742078.db2.gz WMRQOTSRMIJGHS-JTQLQIEISA-N 1 2 234.303 1.208 20 0 BDADLO C[C@H]1COCCC[N@@H+]1CC(=O)c1cccn1C ZINC000398986560 711742876 /nfs/dbraw/zinc/74/28/76/711742876.db2.gz DGRQSKZSFLAIOG-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO C[C@H]1COCCC[N@H+]1CC(=O)c1cccn1C ZINC000398986560 711742879 /nfs/dbraw/zinc/74/28/79/711742879.db2.gz DGRQSKZSFLAIOG-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC000909555054 711783408 /nfs/dbraw/zinc/78/34/08/711783408.db2.gz FVFGDEVMNGCLKU-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CC[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896926164 711784116 /nfs/dbraw/zinc/78/41/16/711784116.db2.gz APSHGHBKJRKGCO-SSDOTTSWSA-N 1 2 209.293 1.689 20 0 BDADLO Cc1nc(NC(=O)Cc2c[nH]c[nH+]2)sc1C ZINC000074673692 711796815 /nfs/dbraw/zinc/79/68/15/711796815.db2.gz LAKFTVNLIUZZPJ-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO CC(C)(O)[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000721889439 711811790 /nfs/dbraw/zinc/81/17/90/711811790.db2.gz YPOKZWZPCWNJTD-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000721889439 711811792 /nfs/dbraw/zinc/81/17/92/711811792.db2.gz YPOKZWZPCWNJTD-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[C@H]2CCCO2)c(C)c[nH+]1 ZINC000907088910 711815111 /nfs/dbraw/zinc/81/51/11/711815111.db2.gz WGVVLBSJDFAQKV-WCQYABFASA-N 1 2 248.326 1.874 20 0 BDADLO Cn1c[nH+]cc1CNC(=S)Nc1ccccc1 ZINC000388565730 711898887 /nfs/dbraw/zinc/89/88/87/711898887.db2.gz SZBVJJHBFQJUHR-UHFFFAOYSA-N 1 2 246.339 1.907 20 0 BDADLO CCO[C@@H]1CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000131395164 711919119 /nfs/dbraw/zinc/91/91/19/711919119.db2.gz DHJSGWRSLLWWMA-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCO[C@@H]1CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000131395164 711919121 /nfs/dbraw/zinc/91/91/21/711919121.db2.gz DHJSGWRSLLWWMA-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)O)C(=O)OC(C)(C)C ZINC000085494546 711935489 /nfs/dbraw/zinc/93/54/89/711935489.db2.gz CESFNXJXPCDHBM-QMMMGPOBSA-N 1 2 217.309 1.077 20 0 BDADLO C[C@@H]([NH2+]CC[C@H](C)O)C(=O)OC(C)(C)C ZINC000085494526 711935585 /nfs/dbraw/zinc/93/55/85/711935585.db2.gz ONZIOYVFRDCMCP-DTWKUNHWSA-N 1 2 217.309 1.077 20 0 BDADLO Cc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2cccnc2)n1 ZINC000700468164 711993779 /nfs/dbraw/zinc/99/37/79/711993779.db2.gz LXGXHNDJZGJHSF-JTQLQIEISA-N 1 2 244.298 1.736 20 0 BDADLO CC[N@H+](CCO)Cc1ncc(C(C)C)o1 ZINC000701634347 712025690 /nfs/dbraw/zinc/02/56/90/712025690.db2.gz KTJYKKVUSWQFPI-UHFFFAOYSA-N 1 2 212.293 1.612 20 0 BDADLO CC[N@@H+](CCO)Cc1ncc(C(C)C)o1 ZINC000701634347 712025692 /nfs/dbraw/zinc/02/56/92/712025692.db2.gz KTJYKKVUSWQFPI-UHFFFAOYSA-N 1 2 212.293 1.612 20 0 BDADLO Cn1nncc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000703928552 712094846 /nfs/dbraw/zinc/09/48/46/712094846.db2.gz VEOQEXBLHJFDEP-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N)nn1 ZINC000703962249 712096293 /nfs/dbraw/zinc/09/62/93/712096293.db2.gz IPYPPSCJHDORFJ-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N)nn1 ZINC000703962249 712096295 /nfs/dbraw/zinc/09/62/95/712096295.db2.gz IPYPPSCJHDORFJ-KOLCDFICSA-N 1 2 236.319 1.058 20 0 BDADLO Cc1nc(NCC[C@@H]2CCSC2)nc(N)[nH+]1 ZINC000704923601 712120599 /nfs/dbraw/zinc/12/05/99/712120599.db2.gz DWDKDXGARUGHJQ-MRVPVSSYSA-N 1 2 239.348 1.317 20 0 BDADLO Cc1nc(N)nc(NCC[C@@H]2CCSC2)[nH+]1 ZINC000704923601 712120601 /nfs/dbraw/zinc/12/06/01/712120601.db2.gz DWDKDXGARUGHJQ-MRVPVSSYSA-N 1 2 239.348 1.317 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C1(COC)CC1 ZINC000706367012 712144552 /nfs/dbraw/zinc/14/45/52/712144552.db2.gz NPFSPWSQRYXLIH-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C1(COC)CC1 ZINC000706367012 712144554 /nfs/dbraw/zinc/14/45/54/712144554.db2.gz NPFSPWSQRYXLIH-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nn2)[C@H]1C ZINC000706894604 712159651 /nfs/dbraw/zinc/15/96/51/712159651.db2.gz APLFKAGQTJTXEK-YUMQZZPRSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nn2)[C@H]1C ZINC000706894604 712159653 /nfs/dbraw/zinc/15/96/53/712159653.db2.gz APLFKAGQTJTXEK-YUMQZZPRSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062744 712164606 /nfs/dbraw/zinc/16/46/06/712164606.db2.gz KNXBGMAIBUGFFV-CBAPKCEASA-N 1 2 229.711 1.029 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062744 712164607 /nfs/dbraw/zinc/16/46/07/712164607.db2.gz KNXBGMAIBUGFFV-CBAPKCEASA-N 1 2 229.711 1.029 20 0 BDADLO CCOC[C@@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC000707518074 712171435 /nfs/dbraw/zinc/17/14/35/712171435.db2.gz PBIXEOBWIMZTEF-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CCOC[C@@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC000707518074 712171436 /nfs/dbraw/zinc/17/14/36/712171436.db2.gz PBIXEOBWIMZTEF-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CCC[C@@H]1CN(c2cc(NC)[nH+]cn2)CCO1 ZINC000708899046 712203463 /nfs/dbraw/zinc/20/34/63/712203463.db2.gz NGTFNIGLABFFFZ-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCC[C@@H]1CN(c2cc(NC)nc[nH+]2)CCO1 ZINC000708899046 712203464 /nfs/dbraw/zinc/20/34/64/712203464.db2.gz NGTFNIGLABFFFZ-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922918367 712287014 /nfs/dbraw/zinc/28/70/14/712287014.db2.gz RNBQVVRRRCECLH-KLHWPWHYSA-N 1 2 246.310 1.999 20 0 BDADLO CCCNc1cc(N(C)[C@H](CC)CO)nc[nH+]1 ZINC000379062468 712368796 /nfs/dbraw/zinc/36/87/96/712368796.db2.gz SKBFFCPPHJACEN-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCCNc1cc(N(C)[C@H](CC)CO)[nH+]cn1 ZINC000379062468 712368799 /nfs/dbraw/zinc/36/87/99/712368799.db2.gz SKBFFCPPHJACEN-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795222 712449425 /nfs/dbraw/zinc/44/94/25/712449425.db2.gz IKIIZWDGVYJWBT-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795222 712449426 /nfs/dbraw/zinc/44/94/26/712449426.db2.gz IKIIZWDGVYJWBT-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CO[C@H]1C[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC000714648178 712495330 /nfs/dbraw/zinc/49/53/30/712495330.db2.gz SPQZVFMKNWIQID-KYZUINATSA-N 1 2 247.302 1.200 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715412609 712517931 /nfs/dbraw/zinc/51/79/31/712517931.db2.gz HGNQPFVHBWYKTH-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715412609 712517932 /nfs/dbraw/zinc/51/79/32/712517932.db2.gz HGNQPFVHBWYKTH-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n1 ZINC000716453030 712561887 /nfs/dbraw/zinc/56/18/87/712561887.db2.gz SUGVEVICVPKNFW-SGIHWFKDSA-N 1 2 221.304 1.939 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cccc2c1OCC2 ZINC000716461930 712563115 /nfs/dbraw/zinc/56/31/15/712563115.db2.gz QMSMKQMCDMUERA-UHFFFAOYSA-N 1 2 243.310 1.943 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cccc2c1OCC2 ZINC000716461930 712563116 /nfs/dbraw/zinc/56/31/16/712563116.db2.gz QMSMKQMCDMUERA-UHFFFAOYSA-N 1 2 243.310 1.943 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)nc(N)[nH+]1 ZINC000717075000 712628911 /nfs/dbraw/zinc/62/89/11/712628911.db2.gz IHCSOPYSDWJEPC-LKEDHPFLSA-N 1 2 233.319 1.466 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)[nH+]1 ZINC000717075000 712628912 /nfs/dbraw/zinc/62/89/12/712628912.db2.gz IHCSOPYSDWJEPC-LKEDHPFLSA-N 1 2 233.319 1.466 20 0 BDADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)[C@H](C)O ZINC000717282582 712644573 /nfs/dbraw/zinc/64/45/73/712644573.db2.gz WSHKRWJAHLSJOM-GWCFXTLKSA-N 1 2 246.310 1.697 20 0 BDADLO OC[C@H]([NH2+]CC(F)(F)C(F)F)C1CCC1 ZINC000717623933 712661707 /nfs/dbraw/zinc/66/17/07/712661707.db2.gz ADSXLGLBINJXOL-ZETCQYMHSA-N 1 2 229.217 1.637 20 0 BDADLO CC[NH2+]Cc1noc(CSC(C)C)n1 ZINC000380167547 712705214 /nfs/dbraw/zinc/70/52/14/712705214.db2.gz FMKBUDAAPIBCKZ-UHFFFAOYSA-N 1 2 215.322 1.821 20 0 BDADLO C[N@@H+]1CC[C@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000037647411 712734070 /nfs/dbraw/zinc/73/40/70/712734070.db2.gz KNFKKSVWJXKTER-SECBINFHSA-N 1 2 235.287 1.143 20 0 BDADLO C[N@H+]1CC[C@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000037647411 712734071 /nfs/dbraw/zinc/73/40/71/712734071.db2.gz KNFKKSVWJXKTER-SECBINFHSA-N 1 2 235.287 1.143 20 0 BDADLO c1ncc(C[NH2+]Cc2nc3c(s2)CCC3)cn1 ZINC000719560252 712809415 /nfs/dbraw/zinc/80/94/15/712809415.db2.gz MORBWJMBIQQEKX-UHFFFAOYSA-N 1 2 246.339 1.712 20 0 BDADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(C)on1 ZINC000720402404 712839714 /nfs/dbraw/zinc/83/97/14/712839714.db2.gz RNLYOVUGRZXDAN-NSHDSACASA-N 1 2 239.319 1.233 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC2)o1 ZINC001037986386 712896862 /nfs/dbraw/zinc/89/68/62/712896862.db2.gz QDCDNRJLRBYBKX-NSHDSACASA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H]2CNC(=O)C2CC2)o1 ZINC001037986386 712896863 /nfs/dbraw/zinc/89/68/63/712896863.db2.gz QDCDNRJLRBYBKX-NSHDSACASA-N 1 2 249.314 1.084 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)s1 ZINC000705277347 957030179 /nfs/dbraw/zinc/03/01/79/957030179.db2.gz NTBLVSWBNOFSHJ-IONNQARKSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)s1 ZINC000705277347 957030204 /nfs/dbraw/zinc/03/02/04/957030204.db2.gz NTBLVSWBNOFSHJ-IONNQARKSA-N 1 2 227.333 1.192 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1CCC1CC1 ZINC001208679783 957118495 /nfs/dbraw/zinc/11/84/95/957118495.db2.gz VGJWMOCBPSSHJC-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@H+]1CCC1CC1 ZINC001208679783 957118503 /nfs/dbraw/zinc/11/85/03/957118503.db2.gz VGJWMOCBPSSHJC-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO CNc1nccc(C[NH+]2CC(C(F)F)C2)n1 ZINC000706483151 957918407 /nfs/dbraw/zinc/91/84/07/957918407.db2.gz UXJKRRIJRYVOPL-UHFFFAOYSA-N 1 2 228.246 1.215 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1CCCCCO ZINC001206745333 960557616 /nfs/dbraw/zinc/55/76/16/960557616.db2.gz UXVCBJMIWFYMNW-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@H+]1CCCCCO ZINC001206745333 960557620 /nfs/dbraw/zinc/55/76/20/960557620.db2.gz UXVCBJMIWFYMNW-JTQLQIEISA-N 1 2 237.290 1.241 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001203070448 960622564 /nfs/dbraw/zinc/62/25/64/960622564.db2.gz UFTHABJLHMBHBI-NSHDSACASA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](CCO)C2)n[nH]1 ZINC001203077447 960685374 /nfs/dbraw/zinc/68/53/74/960685374.db2.gz YOZUDNJLLZEMTH-LLVKDONJSA-N 1 2 223.320 1.313 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](CCO)C2)n[nH]1 ZINC001203077447 960685382 /nfs/dbraw/zinc/68/53/82/960685382.db2.gz YOZUDNJLLZEMTH-LLVKDONJSA-N 1 2 223.320 1.313 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnco2)CCCC1=O ZINC001140927609 960693863 /nfs/dbraw/zinc/69/38/63/960693863.db2.gz XOKMFOMRSHFMAT-SECBINFHSA-N 1 2 208.261 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnco2)CCCC1=O ZINC001140927609 960693867 /nfs/dbraw/zinc/69/38/67/960693867.db2.gz XOKMFOMRSHFMAT-SECBINFHSA-N 1 2 208.261 1.476 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)F ZINC001141979792 961199645 /nfs/dbraw/zinc/19/96/45/961199645.db2.gz XUCCTRABLQIOHZ-RRKCRQDMSA-N 1 2 229.230 1.283 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)F ZINC001141979792 961199663 /nfs/dbraw/zinc/19/96/63/961199663.db2.gz XUCCTRABLQIOHZ-RRKCRQDMSA-N 1 2 229.230 1.283 20 0 BDADLO CCOC(=O)C(F)(F)CNc1cccc[nH+]1 ZINC001167848316 961268645 /nfs/dbraw/zinc/26/86/45/961268645.db2.gz XTYOBQNMGKJAAR-UHFFFAOYSA-N 1 2 230.214 1.692 20 0 BDADLO CCN(C)c1cc(NCC(F)(F)F)[nH+]cn1 ZINC001161625347 962746985 /nfs/dbraw/zinc/74/69/85/962746985.db2.gz HKARPSHESOYSJJ-UHFFFAOYSA-N 1 2 234.225 1.907 20 0 BDADLO CCN(C)c1cc(NCC(F)(F)F)nc[nH+]1 ZINC001161625347 962747001 /nfs/dbraw/zinc/74/70/01/962747001.db2.gz HKARPSHESOYSJJ-UHFFFAOYSA-N 1 2 234.225 1.907 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)C1(F)CCCCC1)C2 ZINC001270685740 963072057 /nfs/dbraw/zinc/07/20/57/963072057.db2.gz LFJTUOBIMHHABQ-UHFFFAOYSA-N 1 2 240.322 1.575 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)C1(F)CCCCC1)C2 ZINC001270685740 963072073 /nfs/dbraw/zinc/07/20/73/963072073.db2.gz LFJTUOBIMHHABQ-UHFFFAOYSA-N 1 2 240.322 1.575 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)C[C@@]1(C)CF ZINC001204384555 963457217 /nfs/dbraw/zinc/45/72/17/963457217.db2.gz YFZAVPVMHLBJIG-JTQLQIEISA-N 1 2 247.264 1.989 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@H]1C[C@@H](CO)C1 ZINC001157460862 963621325 /nfs/dbraw/zinc/62/13/25/963621325.db2.gz XPVVCLPYOKUAPI-DTORHVGOSA-N 1 2 210.252 1.712 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CCO[C@@H](C)C1 ZINC001168112828 963754542 /nfs/dbraw/zinc/75/45/42/963754542.db2.gz DMLJRBUBWVCPNX-VLEAKVRGSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CCO[C@@H](C)C1 ZINC001168112828 963754549 /nfs/dbraw/zinc/75/45/49/963754549.db2.gz DMLJRBUBWVCPNX-VLEAKVRGSA-N 1 2 245.294 1.139 20 0 BDADLO Cc1c[nH+]cc(NCCn2ccnn2)c1C ZINC001161930236 964823090 /nfs/dbraw/zinc/82/30/90/964823090.db2.gz KFSFTTOJNKVGKF-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO Cc1[nH+]cccc1NC[C@H]1CCNC(=O)C1 ZINC001162337380 964938317 /nfs/dbraw/zinc/93/83/17/964938317.db2.gz NDEHVJQGCVZHBS-JTQLQIEISA-N 1 2 219.288 1.328 20 0 BDADLO CCC[N@H+](C/C=C/Cl)CC(=O)NC ZINC000056508937 965246733 /nfs/dbraw/zinc/24/67/33/965246733.db2.gz MFMFGHUGOCXAAM-SNAWJCMRSA-N 1 2 204.701 1.197 20 0 BDADLO CCC[N@@H+](C/C=C/Cl)CC(=O)NC ZINC000056508937 965246744 /nfs/dbraw/zinc/24/67/44/965246744.db2.gz MFMFGHUGOCXAAM-SNAWJCMRSA-N 1 2 204.701 1.197 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233923343 965618387 /nfs/dbraw/zinc/61/83/87/965618387.db2.gz AYYNQKCJZKAOFZ-VXGBXAGGSA-N 1 2 244.354 1.925 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233923343 965618395 /nfs/dbraw/zinc/61/83/95/965618395.db2.gz AYYNQKCJZKAOFZ-VXGBXAGGSA-N 1 2 244.354 1.925 20 0 BDADLO CSCc1cc[nH+]c(N(C)CCO)c1 ZINC000094131180 966300053 /nfs/dbraw/zinc/30/00/53/966300053.db2.gz CYEBSOGMBIVYOI-UHFFFAOYSA-N 1 2 212.318 1.373 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)CC1CC(F)(F)C1 ZINC001203206673 966551412 /nfs/dbraw/zinc/55/14/12/966551412.db2.gz VUVYKYZKLNFZMO-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1cccs1 ZINC001204018983 966854575 /nfs/dbraw/zinc/85/45/75/966854575.db2.gz WDIZYCSRJIDRQS-JTQLQIEISA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1cccs1 ZINC001204018983 966854578 /nfs/dbraw/zinc/85/45/78/966854578.db2.gz WDIZYCSRJIDRQS-JTQLQIEISA-N 1 2 227.329 1.595 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](Cc2sccc2C)CCO1 ZINC001204023538 966857661 /nfs/dbraw/zinc/85/76/61/966857661.db2.gz JZCOVUQHWLJRJG-NSHDSACASA-N 1 2 239.340 1.846 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](Cc2sccc2C)CCO1 ZINC001204023538 966857667 /nfs/dbraw/zinc/85/76/67/966857667.db2.gz JZCOVUQHWLJRJG-NSHDSACASA-N 1 2 239.340 1.846 20 0 BDADLO CC[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084582497 968386039 /nfs/dbraw/zinc/38/60/39/968386039.db2.gz SSCFFYHFLXMEAP-OUAUKWLOSA-N 1 2 246.301 1.237 20 0 BDADLO CC[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084582497 968386050 /nfs/dbraw/zinc/38/60/50/968386050.db2.gz SSCFFYHFLXMEAP-OUAUKWLOSA-N 1 2 246.301 1.237 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001206863528 968508994 /nfs/dbraw/zinc/50/89/94/968508994.db2.gz LRHPMEORBJLKKX-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001206863528 968508998 /nfs/dbraw/zinc/50/89/98/968508998.db2.gz LRHPMEORBJLKKX-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001206993232 968531184 /nfs/dbraw/zinc/53/11/84/968531184.db2.gz CPQHTMLQEQQXGH-SKDRFNHKSA-N 1 2 224.279 1.880 20 0 BDADLO COc1cncc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001206993232 968531189 /nfs/dbraw/zinc/53/11/89/968531189.db2.gz CPQHTMLQEQQXGH-SKDRFNHKSA-N 1 2 224.279 1.880 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc(F)cc1F ZINC001207091694 968624122 /nfs/dbraw/zinc/62/41/22/968624122.db2.gz YTPQQONPNQXPIM-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc(F)cc1F ZINC001207091694 968624127 /nfs/dbraw/zinc/62/41/27/968624127.db2.gz YTPQQONPNQXPIM-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001207133486 968649378 /nfs/dbraw/zinc/64/93/78/968649378.db2.gz PFFFRZLCOYOUDF-NWDGAFQWSA-N 1 2 242.294 1.586 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CCCOC1 ZINC001207462062 968781712 /nfs/dbraw/zinc/78/17/12/968781712.db2.gz SLSVLGWKJAIOLD-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CCCOC1 ZINC001207462062 968781717 /nfs/dbraw/zinc/78/17/17/968781717.db2.gz SLSVLGWKJAIOLD-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO Nc1cc(-c2cccc(CO)c2)cc[nH+]1 ZINC001241509887 969021702 /nfs/dbraw/zinc/02/17/02/969021702.db2.gz YQVXWKMMAJYPFQ-UHFFFAOYSA-N 1 2 200.241 1.823 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1CCCCC(F)(F)C1 ZINC001208710955 969201303 /nfs/dbraw/zinc/20/13/03/969201303.db2.gz MPUMFZIPKAZAOJ-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1CCCCC(F)(F)C1 ZINC001208710955 969201308 /nfs/dbraw/zinc/20/13/08/969201308.db2.gz MPUMFZIPKAZAOJ-SECBINFHSA-N 1 2 235.274 1.917 20 0 BDADLO CCCCC[C@@H](O)C[N@@H+]1CCn2cncc2C1 ZINC001253534587 969208068 /nfs/dbraw/zinc/20/80/68/969208068.db2.gz BICVXKWOUYRBLT-CYBMUJFWSA-N 1 2 237.347 1.640 20 0 BDADLO CCCCC[C@@H](O)C[N@H+]1CCn2cncc2C1 ZINC001253534587 969208077 /nfs/dbraw/zinc/20/80/77/969208077.db2.gz BICVXKWOUYRBLT-CYBMUJFWSA-N 1 2 237.347 1.640 20 0 BDADLO C[C@@H](C[N@@H+]1CC[C@@H](O)[C@H](F)C1)C(F)(F)F ZINC001208893727 969282945 /nfs/dbraw/zinc/28/29/45/969282945.db2.gz FGXIADMPIUCHTI-XLPZGREQSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@@H](C[N@H+]1CC[C@@H](O)[C@H](F)C1)C(F)(F)F ZINC001208893727 969282953 /nfs/dbraw/zinc/28/29/53/969282953.db2.gz FGXIADMPIUCHTI-XLPZGREQSA-N 1 2 229.217 1.590 20 0 BDADLO Cc1noc(C2([NH2+]C[C@@H](O)C(C)(C)C)CC2)n1 ZINC001253746774 969365648 /nfs/dbraw/zinc/36/56/48/969365648.db2.gz CEKSFWLYEURTKG-SECBINFHSA-N 1 2 239.319 1.364 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001253758461 969378715 /nfs/dbraw/zinc/37/87/15/969378715.db2.gz YTQIXTCDCHQVCI-UWVGGRQHSA-N 1 2 239.281 1.930 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001253758461 969378719 /nfs/dbraw/zinc/37/87/19/969378719.db2.gz YTQIXTCDCHQVCI-UWVGGRQHSA-N 1 2 239.281 1.930 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(C)[nH]1 ZINC001209578089 969562969 /nfs/dbraw/zinc/56/29/69/969562969.db2.gz HFEVFQJNKDYKFY-LBPRGKRZSA-N 1 2 238.331 1.953 20 0 BDADLO C[C@]1(F)CCCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001254332518 969563849 /nfs/dbraw/zinc/56/38/49/969563849.db2.gz XJHMNPVEPWETAP-MNOVXSKESA-N 1 2 249.351 1.388 20 0 BDADLO C[C@]1(F)CCCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001254332518 969563854 /nfs/dbraw/zinc/56/38/54/969563854.db2.gz XJHMNPVEPWETAP-MNOVXSKESA-N 1 2 249.351 1.388 20 0 BDADLO FC1(F)COC2(C[NH+]([C@H]3CCSC3)C2)C1 ZINC001255291068 970052776 /nfs/dbraw/zinc/05/27/76/970052776.db2.gz PQHBFALBMDCKGA-QMMMGPOBSA-N 1 2 235.299 1.602 20 0 BDADLO COC1CCC([N@@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC001255461602 970189205 /nfs/dbraw/zinc/18/92/05/970189205.db2.gz NEJBQSGEANHJIN-VQXHTEKXSA-N 1 2 249.301 1.646 20 0 BDADLO COC1CCC([N@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC001255461602 970189211 /nfs/dbraw/zinc/18/92/11/970189211.db2.gz NEJBQSGEANHJIN-VQXHTEKXSA-N 1 2 249.301 1.646 20 0 BDADLO CC[C@H]1CC[C@H]([NH2+]C2(C(=O)OC)CC2)C1 ZINC001173260406 975108064 /nfs/dbraw/zinc/10/80/64/975108064.db2.gz LHKBDOWCWBWQCV-UWVGGRQHSA-N 1 2 211.305 1.860 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C)c(C)n2)C1 ZINC001228294762 976077677 /nfs/dbraw/zinc/07/76/77/976077677.db2.gz BWLWDIHLZKDKSZ-UHFFFAOYSA-N 1 2 206.289 1.781 20 0 BDADLO COCn1ncc(C)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC001333835712 976113398 /nfs/dbraw/zinc/11/33/98/976113398.db2.gz WWKIJMDTUJVSOZ-LLVKDONJSA-N 1 2 241.310 1.729 20 0 BDADLO COCn1ncc(C)c1C[N@H+]1CCC[C@@H](F)C1 ZINC001333835712 976113400 /nfs/dbraw/zinc/11/34/00/976113400.db2.gz WWKIJMDTUJVSOZ-LLVKDONJSA-N 1 2 241.310 1.729 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@@H](C)[C@H]2CC2(F)F)n1 ZINC001336758213 977927599 /nfs/dbraw/zinc/92/75/99/977927599.db2.gz PUCIPDQKQUUXMF-NKWVEPMBSA-N 1 2 246.261 1.084 20 0 BDADLO COCC[NH+](CCOC)Cc1ncsc1C ZINC001232201119 977928558 /nfs/dbraw/zinc/92/85/58/977928558.db2.gz CATQYYZWMKNMBL-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)s1 ZINC001232242490 977971106 /nfs/dbraw/zinc/97/11/06/977971106.db2.gz LJMHJJXMQMTAJI-GZMMTYOYSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)s1 ZINC001232242490 977971116 /nfs/dbraw/zinc/97/11/16/977971116.db2.gz LJMHJJXMQMTAJI-GZMMTYOYSA-N 1 2 241.360 1.439 20 0 BDADLO CC1(F)CCN(c2cc(N)nc[nH+]2)CC1 ZINC001337241120 978242423 /nfs/dbraw/zinc/24/24/23/978242423.db2.gz YZQIKTIZQRLERF-UHFFFAOYSA-N 1 2 210.256 1.387 20 0 BDADLO CCCn1cnc(C[N@@H+]2CCCOCC2)c1 ZINC001232793623 978275869 /nfs/dbraw/zinc/27/58/69/978275869.db2.gz CGSQMIFCYLZLJN-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO CCCn1cnc(C[N@H+]2CCCOCC2)c1 ZINC001232793623 978275879 /nfs/dbraw/zinc/27/58/79/978275879.db2.gz CGSQMIFCYLZLJN-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO COC1(OC)CC(CNc2cc[nH+]cc2F)C1 ZINC001337363750 978306273 /nfs/dbraw/zinc/30/62/73/978306273.db2.gz OYBXDKMOQMLZFO-UHFFFAOYSA-N 1 2 240.278 1.454 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCCC12COC2 ZINC001233320901 978555325 /nfs/dbraw/zinc/55/53/25/978555325.db2.gz RSHNFYASJRIATI-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1cnsc1C[N@H+]1CCCC12COC2 ZINC001233320901 978555331 /nfs/dbraw/zinc/55/53/31/978555331.db2.gz RSHNFYASJRIATI-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Nc1cc(F)c(F)cc1C[NH+]1CC=CC1 ZINC001233377990 978589561 /nfs/dbraw/zinc/58/95/61/978589561.db2.gz AZBCFCRPHRJWQT-UHFFFAOYSA-N 1 2 210.227 1.919 20 0 BDADLO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncn[nH]1 ZINC000070568233 978859105 /nfs/dbraw/zinc/85/91/05/978859105.db2.gz XDJNUJSHOJQRLA-VHSXEESVSA-N 1 2 208.309 1.863 20 0 BDADLO Cc1[nH+]cn(C)c1CN(C)CC(F)(F)F ZINC001235539844 979075461 /nfs/dbraw/zinc/07/54/61/979075461.db2.gz CYLHSTZIKVGEDG-UHFFFAOYSA-N 1 2 221.226 1.723 20 0 BDADLO CCN(C(=O)[C@H]1C[C@]1(F)Cl)C1C[NH+](C)C1 ZINC001181666026 979235868 /nfs/dbraw/zinc/23/58/68/979235868.db2.gz SGCROXWWKGYOSL-PSASIEDQSA-N 1 2 234.702 1.073 20 0 BDADLO C[N@H+](CCO)Cc1cc(Cl)c(O)cc1F ZINC001236259007 979482720 /nfs/dbraw/zinc/48/27/20/979482720.db2.gz LIRXUAMHOJQJOP-UHFFFAOYSA-N 1 2 233.670 1.609 20 0 BDADLO C[N@@H+](CCO)Cc1cc(Cl)c(O)cc1F ZINC001236259007 979482723 /nfs/dbraw/zinc/48/27/23/979482723.db2.gz LIRXUAMHOJQJOP-UHFFFAOYSA-N 1 2 233.670 1.609 20 0 BDADLO C[C@H](C[NH2+]C1CC(CC(=O)[O-])C1)[N@H+](C)C1CC1 ZINC001604183790 979593992 /nfs/dbraw/zinc/59/39/92/979593992.db2.gz DUUSMHXZQKDLQT-KPPDAEKUSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](C[NH2+]C1CC(CC(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC001604183790 979593996 /nfs/dbraw/zinc/59/39/96/979593996.db2.gz DUUSMHXZQKDLQT-KPPDAEKUSA-N 1 2 240.347 1.312 20 0 BDADLO CCC(CC)(C[NH2+]C[C@H]1CCC[N@@H+]1C)C(=O)[O-] ZINC001605002904 979795597 /nfs/dbraw/zinc/79/55/97/979795597.db2.gz PCIKDAODHYYXQO-LLVKDONJSA-N 1 2 242.363 1.561 20 0 BDADLO CCC(CC)(C[NH2+]C[C@H]1CCC[N@H+]1C)C(=O)[O-] ZINC001605002904 979795603 /nfs/dbraw/zinc/79/56/03/979795603.db2.gz PCIKDAODHYYXQO-LLVKDONJSA-N 1 2 242.363 1.561 20 0 BDADLO S=C1C=COC1C[NH+]1CCN(C2CC2)CC1 ZINC001237183883 979834586 /nfs/dbraw/zinc/83/45/86/979834586.db2.gz VRAVCXAZHKIOFQ-UHFFFAOYSA-N 1 2 238.356 1.848 20 0 BDADLO S=C1C=COC1CN1CC[NH+](C2CC2)CC1 ZINC001237183883 979834594 /nfs/dbraw/zinc/83/45/94/979834594.db2.gz VRAVCXAZHKIOFQ-UHFFFAOYSA-N 1 2 238.356 1.848 20 0 BDADLO CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])co1 ZINC001605498386 979882137 /nfs/dbraw/zinc/88/21/37/979882137.db2.gz QTISRYSGXSXUQJ-VIFPVBQESA-N 1 2 240.303 1.628 20 0 BDADLO CCn1cncc1C[NH+]1CC2(CSC2)C1 ZINC001237595456 979954916 /nfs/dbraw/zinc/95/49/16/979954916.db2.gz MWHOWZFQSZRVBB-UHFFFAOYSA-N 1 2 223.345 1.452 20 0 BDADLO CCc1n[nH]cc1C[NH+]1CC(C(F)F)C1 ZINC001237655404 980020737 /nfs/dbraw/zinc/02/07/37/980020737.db2.gz POVDMDRAJGVQSR-UHFFFAOYSA-N 1 2 215.247 1.669 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1(CF)CCC1 ZINC001344835229 980480550 /nfs/dbraw/zinc/48/05/50/980480550.db2.gz ARDQQCYOSXDKRM-SNVBAGLBSA-N 1 2 247.285 1.713 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1(CF)CCC1 ZINC001344835229 980480557 /nfs/dbraw/zinc/48/05/57/980480557.db2.gz ARDQQCYOSXDKRM-SNVBAGLBSA-N 1 2 247.285 1.713 20 0 BDADLO CCC(C)(C)NC(=O)CCc1[nH+]ccn1C ZINC001346139336 980766556 /nfs/dbraw/zinc/76/65/56/980766556.db2.gz HNSLXOPLWHKHAJ-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO CCc1cn(CC[C@@H]2CCOC2=O)c[nH+]1 ZINC001190104687 980847658 /nfs/dbraw/zinc/84/76/58/980847658.db2.gz URFXCPHAEYOPHV-SECBINFHSA-N 1 2 208.261 1.399 20 0 BDADLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)C1(C)CC1 ZINC001347495335 981098781 /nfs/dbraw/zinc/09/87/81/981098781.db2.gz BDQUINVKURGLLN-SECBINFHSA-N 1 2 236.319 1.408 20 0 BDADLO COC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001193935644 981498098 /nfs/dbraw/zinc/49/80/98/981498098.db2.gz PUESPTLQGCZNKR-UHFFFAOYSA-N 1 2 209.249 1.464 20 0 BDADLO COC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001193942956 981529604 /nfs/dbraw/zinc/52/96/04/981529604.db2.gz ZCKRQXNEDPZNKP-UHFFFAOYSA-N 1 2 205.217 1.190 20 0 BDADLO Cc1cc(C[N@H+](C)C2CC(F)(F)C2)n(C)n1 ZINC001205881099 983065610 /nfs/dbraw/zinc/06/56/10/983065610.db2.gz AKPVOHZLLGSRKC-UHFFFAOYSA-N 1 2 229.274 1.958 20 0 BDADLO Cc1cc(C[N@@H+](C)C2CC(F)(F)C2)n(C)n1 ZINC001205881099 983065619 /nfs/dbraw/zinc/06/56/19/983065619.db2.gz AKPVOHZLLGSRKC-UHFFFAOYSA-N 1 2 229.274 1.958 20 0 BDADLO COc1cnc(-c2c[nH+]c(N)cc2C)nc1 ZINC001242070795 983306357 /nfs/dbraw/zinc/30/63/57/983306357.db2.gz LZUBSAXTFATWNM-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC001202352612 983637229 /nfs/dbraw/zinc/63/72/29/983637229.db2.gz NULAWZGXCADIAK-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC(=O)N1CC[N@H+](CCC(F)(F)F)C[C@H]1C ZINC001202352612 983637239 /nfs/dbraw/zinc/63/72/39/983637239.db2.gz NULAWZGXCADIAK-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC(C)NC(=O)NCCOc1cc[nH+]cc1 ZINC001202535700 983894081 /nfs/dbraw/zinc/89/40/81/983894081.db2.gz JBRIBBLKBXXRDV-UHFFFAOYSA-N 1 2 223.276 1.168 20 0 BDADLO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001474306908 983901119 /nfs/dbraw/zinc/90/11/19/983901119.db2.gz KJCCKLVUBUKQEX-VHSXEESVSA-N 1 2 237.351 1.562 20 0 BDADLO Cc1csc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC001137159753 984008504 /nfs/dbraw/zinc/00/85/04/984008504.db2.gz KMPQITOCMMFKCC-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO Cc1csc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC001137159753 984008514 /nfs/dbraw/zinc/00/85/14/984008514.db2.gz KMPQITOCMMFKCC-JTQLQIEISA-N 1 2 238.356 1.719 20 0 BDADLO CC[C@@H](CC(C)C)[NH+]1CC(F)(CO)C1 ZINC001172398209 974759559 /nfs/dbraw/zinc/75/95/59/974759559.db2.gz UFIHKEDKQXOKNL-JTQLQIEISA-N 1 2 203.301 1.827 20 0 BDADLO CC(C)OC[C@@H](C)[NH2+]Cc1csnn1 ZINC001331742578 974810235 /nfs/dbraw/zinc/81/02/35/974810235.db2.gz QWENNMNIUPWNBE-MRVPVSSYSA-N 1 2 215.322 1.441 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)CCOCC(C)C ZINC001172462534 974827669 /nfs/dbraw/zinc/82/76/69/974827669.db2.gz QXXYNZOETVSKBB-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO C[NH+]1CC(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001144300484 972750255 /nfs/dbraw/zinc/75/02/55/972750255.db2.gz FGDJVLONTYGLLK-VWYCJHECSA-N 1 2 222.332 1.243 20 0 BDADLO c1cn(Cc2nnc([C@H]3CCCCO3)o2)c[nH+]1 ZINC001329107850 973488953 /nfs/dbraw/zinc/48/89/53/973488953.db2.gz LQGLQNLEIFQSGC-SECBINFHSA-N 1 2 234.259 1.556 20 0 BDADLO CC(C)CC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001256372287 970784850 /nfs/dbraw/zinc/78/48/50/970784850.db2.gz JXWKVFLRUQEDQE-DCAQKATOSA-N 1 2 211.305 1.811 20 0 BDADLO CC(C)CC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001256372287 970784858 /nfs/dbraw/zinc/78/48/58/970784858.db2.gz JXWKVFLRUQEDQE-DCAQKATOSA-N 1 2 211.305 1.811 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)[C@H](C)Cc1ccccn1 ZINC001256416450 970824102 /nfs/dbraw/zinc/82/41/02/970824102.db2.gz BUTZOXTZQILZAV-GHMZBOCLSA-N 1 2 236.315 1.506 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC001256416450 970824109 /nfs/dbraw/zinc/82/41/09/970824109.db2.gz BUTZOXTZQILZAV-GHMZBOCLSA-N 1 2 236.315 1.506 20 0 BDADLO Cc1cc(C)c(CNc2nccnc2F)c[nH+]1 ZINC000402678126 970826763 /nfs/dbraw/zinc/82/67/63/970826763.db2.gz VVDVVWJLYBVRJF-UHFFFAOYSA-N 1 2 232.262 1.662 20 0 BDADLO C[C@H](Cc1ccccn1)[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001256425865 970835576 /nfs/dbraw/zinc/83/55/76/970835576.db2.gz KONJIAJMXWUILF-RTXFEEFZSA-N 1 2 218.300 1.486 20 0 BDADLO C[C@H](Cc1ccccn1)[N@H+]1CCO[C@H]2C[C@H]21 ZINC001256425865 970835582 /nfs/dbraw/zinc/83/55/82/970835582.db2.gz KONJIAJMXWUILF-RTXFEEFZSA-N 1 2 218.300 1.486 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccnn1 ZINC001129594833 970863570 /nfs/dbraw/zinc/86/35/70/970863570.db2.gz WUULLIHSKALDMD-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO C[C@@H]1CC(N2CC[NH2+]CC(F)(F)C2)C[C@@H](C)O1 ZINC001257090394 971102049 /nfs/dbraw/zinc/10/20/49/971102049.db2.gz OQHHWPQFKSALCL-NXEZZACHSA-N 1 2 248.317 1.483 20 0 BDADLO COCn1cc(Nc2cccc3[nH+]ccn32)cn1 ZINC001216571760 971127335 /nfs/dbraw/zinc/12/73/35/971127335.db2.gz GIZBRCODNJAQFE-UHFFFAOYSA-N 1 2 243.270 1.878 20 0 BDADLO CCC(CC)[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257301631 971190925 /nfs/dbraw/zinc/19/09/25/971190925.db2.gz KOSXSYDWMDNTHR-UHFFFAOYSA-N 1 2 247.342 1.919 20 0 BDADLO CCC(CC)[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257301631 971190931 /nfs/dbraw/zinc/19/09/31/971190931.db2.gz KOSXSYDWMDNTHR-UHFFFAOYSA-N 1 2 247.342 1.919 20 0 BDADLO COC(=O)[C@@H](C1CC1)[NH+]1CCC(F)(F)CC1 ZINC000405074298 971193397 /nfs/dbraw/zinc/19/33/97/971193397.db2.gz ZUMDNQBAOBYRLR-SECBINFHSA-N 1 2 233.258 1.669 20 0 BDADLO OCCc1ccc2c(c1)O[C@H]([NH2+]C1CCCC1)O2 ZINC001257349113 971261340 /nfs/dbraw/zinc/26/13/40/971261340.db2.gz NTMXOGOXEMNVDG-CQSZACIVSA-N 1 2 249.310 1.808 20 0 BDADLO O=C1C[N@@H+](C2CCCC2)CCN1c1ccccn1 ZINC001257355539 971270235 /nfs/dbraw/zinc/27/02/35/971270235.db2.gz ZJJLWIZQKUFAGQ-UHFFFAOYSA-N 1 2 245.326 1.673 20 0 BDADLO O=C1C[N@H+](C2CCCC2)CCN1c1ccccn1 ZINC001257355539 971270242 /nfs/dbraw/zinc/27/02/42/971270242.db2.gz ZJJLWIZQKUFAGQ-UHFFFAOYSA-N 1 2 245.326 1.673 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000308652889 971277189 /nfs/dbraw/zinc/27/71/89/971277189.db2.gz LZOKTQLILIHPLJ-RKDXNWHRSA-N 1 2 217.334 1.279 20 0 BDADLO CO[C@H]1CCC[C@@H]([NH2+]CC(=O)OC(C)C)C1 ZINC000308758619 971297014 /nfs/dbraw/zinc/29/70/14/971297014.db2.gz COUOWLIKUCMJJX-MNOVXSKESA-N 1 2 229.320 1.485 20 0 BDADLO CCCCCc1nnc([C@@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217695251 971329803 /nfs/dbraw/zinc/32/98/03/971329803.db2.gz HVLYMIILWKRYFT-UWVGGRQHSA-N 1 2 239.319 1.588 20 0 BDADLO O[C@H]1CC[NH2+][C@@H](c2nnc(C3CCCC3)o2)C1 ZINC001217696343 971334359 /nfs/dbraw/zinc/33/43/59/971334359.db2.gz ODGPXMCHBCCOQI-VHSXEESVSA-N 1 2 237.303 1.513 20 0 BDADLO CC(C)CCc1nnc([C@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217696897 971335512 /nfs/dbraw/zinc/33/55/12/971335512.db2.gz SIRCDHAXEMAXJT-NXEZZACHSA-N 1 2 239.319 1.444 20 0 BDADLO CC(C)CCc1nnc([C@@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217696899 971336641 /nfs/dbraw/zinc/33/66/41/971336641.db2.gz SIRCDHAXEMAXJT-UWVGGRQHSA-N 1 2 239.319 1.444 20 0 BDADLO COC[C@H]([NH3+])c1nnc(CCC(C)C)o1 ZINC001217715688 971353525 /nfs/dbraw/zinc/35/35/25/971353525.db2.gz XYYOBIFAYCWAGW-QMMMGPOBSA-N 1 2 213.281 1.304 20 0 BDADLO CCOC(=[NH2+])CCCCOC(=O)C[C@@H](C)O ZINC001224963547 974101816 /nfs/dbraw/zinc/10/18/16/974101816.db2.gz OPEFSKQNABVIDG-SECBINFHSA-N 1 2 231.292 1.485 20 0 BDADLO CC(C)(C)Cc1nnc(C[N@@H+]2CC[C@@H](O)C2)o1 ZINC001257875970 971514228 /nfs/dbraw/zinc/51/42/28/971514228.db2.gz QQNNTYYWPWOHLK-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)(C)Cc1nnc(C[N@H+]2CC[C@@H](O)C2)o1 ZINC001257875970 971514235 /nfs/dbraw/zinc/51/42/35/971514235.db2.gz QQNNTYYWPWOHLK-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1nc(N(C)CC(F)F)c2c([nH+]1)CCC2 ZINC001158926404 971583068 /nfs/dbraw/zinc/58/30/68/971583068.db2.gz HGUNJGUZMAPBTD-UHFFFAOYSA-N 1 2 227.258 1.975 20 0 BDADLO O=C(O[C@H]1C[NH2+]CC1(F)F)c1ccccc1O ZINC001218232808 971641941 /nfs/dbraw/zinc/64/19/41/971641941.db2.gz GKMAZCVASDQXPI-VIFPVBQESA-N 1 2 243.209 1.156 20 0 BDADLO CCc1ccc(O[C@H]2C[NH2+]CC2(F)F)nc1 ZINC001218236069 971648367 /nfs/dbraw/zinc/64/83/67/971648367.db2.gz FVEXBDZURKOETM-VIFPVBQESA-N 1 2 228.242 1.630 20 0 BDADLO CCOC(=[NH2+])c1ccc(OC2CC(O)C2)cc1 ZINC001218261860 971667092 /nfs/dbraw/zinc/66/70/92/971667092.db2.gz RJZKTRPHJPNQRA-UHFFFAOYSA-N 1 2 235.283 1.951 20 0 BDADLO CS[C@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001330789593 974471962 /nfs/dbraw/zinc/47/19/62/974471962.db2.gz NCBGVPSNWBJQTC-UWVGGRQHSA-N 1 2 239.344 1.408 20 0 BDADLO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC001172316046 974520612 /nfs/dbraw/zinc/52/06/12/974520612.db2.gz FDCDEWRBQWDLID-MXWKQRLJSA-N 1 2 229.320 1.485 20 0 BDADLO O=C1CCC[N@@H+](CCCCCO)C[C@H]1F ZINC001206082308 971822315 /nfs/dbraw/zinc/82/23/15/971822315.db2.gz WLFWWCLTSBZNQE-SNVBAGLBSA-N 1 2 217.284 1.152 20 0 BDADLO O=C1CCC[N@H+](CCCCCO)C[C@H]1F ZINC001206082308 971822320 /nfs/dbraw/zinc/82/23/20/971822320.db2.gz WLFWWCLTSBZNQE-SNVBAGLBSA-N 1 2 217.284 1.152 20 0 BDADLO CCC(=O)C1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001135409168 971885896 /nfs/dbraw/zinc/88/58/96/971885896.db2.gz RCAOLJPTRRCEOR-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO O=C1SCCN1C[NH+]1CCC(F)CC1 ZINC001331050871 974572582 /nfs/dbraw/zinc/57/25/82/974572582.db2.gz PHHRJYBKKNKNCU-UHFFFAOYSA-N 1 2 218.297 1.547 20 0 BDADLO O[C@H]1CC[N@@H+]([C@H]2CCCOCC2)CC1(F)F ZINC001170830496 971945888 /nfs/dbraw/zinc/94/58/88/971945888.db2.gz DZOYLRMPCXYGRV-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@H+]([C@H]2CCCOCC2)CC1(F)F ZINC001170830496 971945891 /nfs/dbraw/zinc/94/58/91/971945891.db2.gz DZOYLRMPCXYGRV-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1cccnc1F ZINC001219262613 972000485 /nfs/dbraw/zinc/00/04/85/972000485.db2.gz FUMFHQRZUACVKL-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO O=C(N[C@@H]1CCCc2ccccc21)C1(F)C[NH2+]C1 ZINC001219560468 972028580 /nfs/dbraw/zinc/02/85/80/972028580.db2.gz WGKYCFCWZYNXOH-GFCCVEGCSA-N 1 2 248.301 1.492 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C2(F)C[NH2+]C2)CC(C)(C)C1 ZINC001220288969 972203884 /nfs/dbraw/zinc/20/38/84/972203884.db2.gz OMBHDDFVEOJPCB-NXEZZACHSA-N 1 2 242.338 1.629 20 0 BDADLO CCNC(=O)C[N@H+](C)C[C@H](C)C(F)(F)F ZINC001208884954 957207818 /nfs/dbraw/zinc/20/78/18/957207818.db2.gz FUKAGOLRMIXVLZ-ZETCQYMHSA-N 1 2 226.242 1.253 20 0 BDADLO CCNC(=O)C[N@@H+](C)C[C@H](C)C(F)(F)F ZINC001208884954 957207827 /nfs/dbraw/zinc/20/78/27/957207827.db2.gz FUKAGOLRMIXVLZ-ZETCQYMHSA-N 1 2 226.242 1.253 20 0 BDADLO CCn1cccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001345622758 957296756 /nfs/dbraw/zinc/29/67/56/957296756.db2.gz NPSZLEKEKJWSIV-LLVKDONJSA-N 1 2 246.314 1.523 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001209410555 957419115 /nfs/dbraw/zinc/41/91/15/957419115.db2.gz KNWZBKQQPIVDII-BBBLOLIVSA-N 1 2 219.275 1.734 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001209410555 957419117 /nfs/dbraw/zinc/41/91/17/957419117.db2.gz KNWZBKQQPIVDII-BBBLOLIVSA-N 1 2 219.275 1.734 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H]1C[C@@H]1C ZINC001209419239 957428335 /nfs/dbraw/zinc/42/83/35/957428335.db2.gz WJCFHQFHPWHURP-JLIMGVALSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C[C@H]1C[C@@H]1C ZINC001209419239 957428364 /nfs/dbraw/zinc/42/83/64/957428364.db2.gz WJCFHQFHPWHURP-JLIMGVALSA-N 1 2 215.268 1.228 20 0 BDADLO c1ncc(C[N@@H+]2CCc3ccncc3C2)[nH]1 ZINC001136871373 972290776 /nfs/dbraw/zinc/29/07/76/972290776.db2.gz FNUBNHPLUFXGJO-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1ncc(C[N@H+]2CCc3ccncc3C2)[nH]1 ZINC001136871373 972290781 /nfs/dbraw/zinc/29/07/81/972290781.db2.gz FNUBNHPLUFXGJO-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1c(C[NH+]2CC3(CSC3)C2)nc2ccccn12 ZINC001136882887 972292244 /nfs/dbraw/zinc/29/22/44/972292244.db2.gz MILUXPGZDIHCOJ-UHFFFAOYSA-N 1 2 245.351 1.883 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cn1 ZINC001207075845 957923119 /nfs/dbraw/zinc/92/31/19/957923119.db2.gz AAQKXAYEZAUJOD-DLOVCJGASA-N 1 2 221.279 1.575 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cn1 ZINC001207075845 957923130 /nfs/dbraw/zinc/92/31/30/957923130.db2.gz AAQKXAYEZAUJOD-DLOVCJGASA-N 1 2 221.279 1.575 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000693217029 957940189 /nfs/dbraw/zinc/94/01/89/957940189.db2.gz NLPUUBQLFJTZFQ-GWCFXTLKSA-N 1 2 233.315 1.915 20 0 BDADLO Cc1cccn2c(CN(C)C3(C)COC3)c[nH+]c12 ZINC001136965301 972307434 /nfs/dbraw/zinc/30/74/34/972307434.db2.gz KCMMLDABGHMEEA-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccn2c(C[N@@H+](C)C3(C)COC3)cnc12 ZINC001136965301 972307438 /nfs/dbraw/zinc/30/74/38/972307438.db2.gz KCMMLDABGHMEEA-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1cccn2c(C[N@H+](C)C3(C)COC3)cnc12 ZINC001136965301 972307443 /nfs/dbraw/zinc/30/74/43/972307443.db2.gz KCMMLDABGHMEEA-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO O=c1cc(C[N@H+]2C[C@@H](F)C[C@H]2CF)cc[nH]1 ZINC001207119402 958076279 /nfs/dbraw/zinc/07/62/79/958076279.db2.gz SYVPIFTZIHYXAM-UWVGGRQHSA-N 1 2 228.242 1.669 20 0 BDADLO O=c1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)cc[nH]1 ZINC001207119402 958076294 /nfs/dbraw/zinc/07/62/94/958076294.db2.gz SYVPIFTZIHYXAM-UWVGGRQHSA-N 1 2 228.242 1.669 20 0 BDADLO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001137528554 972331185 /nfs/dbraw/zinc/33/11/85/972331185.db2.gz MNYIWBCXACLSHP-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1cccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001137528554 972331189 /nfs/dbraw/zinc/33/11/89/972331189.db2.gz MNYIWBCXACLSHP-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)n1 ZINC001207162993 958266489 /nfs/dbraw/zinc/26/64/89/958266489.db2.gz ICQZAYQISGJTHS-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)n1 ZINC001207162993 958266501 /nfs/dbraw/zinc/26/65/01/958266501.db2.gz ICQZAYQISGJTHS-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO COc1ccc(C[NH+]2CC3(CC(O)C3)C2)cn1 ZINC001137031901 972333217 /nfs/dbraw/zinc/33/32/17/972333217.db2.gz OSYWYTVMRQSHBI-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@]12CCOC2 ZINC001348737305 958536421 /nfs/dbraw/zinc/53/64/21/958536421.db2.gz NSKMBLVGBQYXAA-CYBMUJFWSA-N 1 2 249.314 1.124 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@@H]2CC[C@H]3C[C@H]32)o1 ZINC001327040824 972358788 /nfs/dbraw/zinc/35/87/88/972358788.db2.gz CFWVDBFLCGTZCY-LPEHRKFASA-N 1 2 221.304 1.720 20 0 BDADLO CO[C@@H](C)CO[C@@H](C)COCCn1cc[nH+]c1 ZINC001222138298 972371463 /nfs/dbraw/zinc/37/14/63/972371463.db2.gz DTBYGHXVZWOFIH-RYUDHWBXSA-N 1 2 242.319 1.340 20 0 BDADLO c1cn(CCOC2CC3(COC3)C2)c[nH+]1 ZINC001222134606 972382046 /nfs/dbraw/zinc/38/20/46/972382046.db2.gz HNCMRIFQDRLMKG-UHFFFAOYSA-N 1 2 208.261 1.079 20 0 BDADLO C[C@@H](OCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC001222139151 972387312 /nfs/dbraw/zinc/38/73/12/972387312.db2.gz OTENEGULBLUSPS-SNVBAGLBSA-N 1 2 240.303 1.630 20 0 BDADLO O=C1N[C@@H](Nc2cccc[nH+]2)c2ccccc21 ZINC001171119397 972398924 /nfs/dbraw/zinc/39/89/24/972398924.db2.gz REDMWDDVWBPQNG-GFCCVEGCSA-N 1 2 225.251 1.936 20 0 BDADLO O=C1N[C@H](Nc2cccc[nH+]2)c2ccccc21 ZINC001171119399 972399501 /nfs/dbraw/zinc/39/95/01/972399501.db2.gz REDMWDDVWBPQNG-LBPRGKRZSA-N 1 2 225.251 1.936 20 0 BDADLO Nc1cc(CNc2ccncc2F)cc[nH+]1 ZINC001167617572 959081272 /nfs/dbraw/zinc/08/12/72/959081272.db2.gz PUKOJNIYNBHFRK-UHFFFAOYSA-N 1 2 218.235 1.232 20 0 BDADLO Nc1cc(CNc2ncnn3cccc23)cc[nH+]1 ZINC001167616803 959081467 /nfs/dbraw/zinc/08/14/67/959081467.db2.gz QPUVEEZOIDYBIY-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO Nc1cc(CNc2cnc(Cl)cn2)cc[nH+]1 ZINC001167616816 959085204 /nfs/dbraw/zinc/08/52/04/959085204.db2.gz AJOQFCXMHZXQRC-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Cc1cncc(NCc2cc[nH+]c(N)c2)c1 ZINC001167617799 959090842 /nfs/dbraw/zinc/09/08/42/959090842.db2.gz VFSFVPAPBZMWTN-UHFFFAOYSA-N 1 2 214.272 1.979 20 0 BDADLO COC(=O)c1cc2[nH+]c[nH]c2c(NCC(C)=O)c1 ZINC001167630130 959137979 /nfs/dbraw/zinc/13/79/79/959137979.db2.gz DWROMTPUADLVKM-UHFFFAOYSA-N 1 2 247.254 1.350 20 0 BDADLO C[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)C(C)(C)C1 ZINC000724701912 959214660 /nfs/dbraw/zinc/21/46/60/959214660.db2.gz NNTSAUDGKUNFPB-HTQZYQBOSA-N 1 2 234.290 1.616 20 0 BDADLO Cc1[nH+]c[nH]c1CN(C)Cc1cncnc1 ZINC001204603396 959237688 /nfs/dbraw/zinc/23/76/88/959237688.db2.gz JHOQQOZROBTVIC-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1nc(NC[C@@H](C)N(C)C(=O)C2CC2)cc[nH+]1 ZINC001104457678 959274940 /nfs/dbraw/zinc/27/49/40/959274940.db2.gz NHHZUTCEOKLJHK-SECBINFHSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cn1 ZINC000724770013 959430998 /nfs/dbraw/zinc/43/09/98/959430998.db2.gz FJTXKTHOSQXCNC-MRVPVSSYSA-N 1 2 229.230 1.311 20 0 BDADLO COc1ncnc(OC)c1CNc1cccc[nH+]1 ZINC001167682637 959708238 /nfs/dbraw/zinc/70/82/38/959708238.db2.gz LDSYNTRUPXHTRH-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO COc1ccc(C[NH+]2CC(OC)C2)cc1N ZINC000309248725 959805679 /nfs/dbraw/zinc/80/56/79/959805679.db2.gz ZEMJFGJKUQCXFA-UHFFFAOYSA-N 1 2 222.288 1.108 20 0 BDADLO C[N@H+](Cc1cc(O)cc(Cl)c1)C1COC1 ZINC001140794549 959873327 /nfs/dbraw/zinc/87/33/27/959873327.db2.gz PEGMRQUXPKGLBV-UHFFFAOYSA-N 1 2 227.691 1.876 20 0 BDADLO C[N@@H+](Cc1cc(O)cc(Cl)c1)C1COC1 ZINC001140794549 959873329 /nfs/dbraw/zinc/87/33/29/959873329.db2.gz PEGMRQUXPKGLBV-UHFFFAOYSA-N 1 2 227.691 1.876 20 0 BDADLO CC/C=C(/C)C(=O)NC1C[NH+](CCOCC)C1 ZINC001267639755 960158297 /nfs/dbraw/zinc/15/82/97/960158297.db2.gz QPINMAFNUDPAOV-WDZFZDKYSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H]1CC(=O)CCN1Cc1ccn2cc[nH+]c2c1 ZINC001141045812 960253603 /nfs/dbraw/zinc/25/36/03/960253603.db2.gz AAMSSMIIEVGBKI-NSHDSACASA-N 1 2 243.310 1.888 20 0 BDADLO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ncon2)c1 ZINC001353341262 960264824 /nfs/dbraw/zinc/26/48/24/960264824.db2.gz SCLZBPAEZQEUFS-ZYHUDNBSSA-N 1 2 247.298 1.762 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2c(C)nn(C)c2C)C[C@@H]1F ZINC001203051645 960459727 /nfs/dbraw/zinc/45/97/27/960459727.db2.gz FJFCLWVAFNRYBB-NWDGAFQWSA-N 1 2 241.310 1.206 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2c(C)nn(C)c2C)C[C@@H]1F ZINC001203051645 960459736 /nfs/dbraw/zinc/45/97/36/960459736.db2.gz FJFCLWVAFNRYBB-NWDGAFQWSA-N 1 2 241.310 1.206 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1C ZINC001140858663 960631466 /nfs/dbraw/zinc/63/14/66/960631466.db2.gz MJPVHHFMUBNXKL-GXSJLCMTSA-N 1 2 212.268 1.146 20 0 BDADLO Cc1c[nH]c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1C ZINC001140858663 960631475 /nfs/dbraw/zinc/63/14/75/960631475.db2.gz MJPVHHFMUBNXKL-GXSJLCMTSA-N 1 2 212.268 1.146 20 0 BDADLO Cc1c[nH]c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1C ZINC001140862401 960640036 /nfs/dbraw/zinc/64/00/36/960640036.db2.gz DCWWPFAGRSNMLH-PHIMTYICSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1C ZINC001140862401 960640043 /nfs/dbraw/zinc/64/00/43/960640043.db2.gz DCWWPFAGRSNMLH-PHIMTYICSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)n[nH]1 ZINC001203073127 960655056 /nfs/dbraw/zinc/65/50/56/960655056.db2.gz XLWIJUSYGDNYDC-CYBMUJFWSA-N 1 2 235.331 1.721 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)n[nH]1 ZINC001203073127 960655063 /nfs/dbraw/zinc/65/50/63/960655063.db2.gz XLWIJUSYGDNYDC-CYBMUJFWSA-N 1 2 235.331 1.721 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1cnco1)C2 ZINC001140927658 960694466 /nfs/dbraw/zinc/69/44/66/960694466.db2.gz ZJOPWLYERAZVHV-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1cnco1)C2 ZINC001140927658 960694469 /nfs/dbraw/zinc/69/44/69/960694469.db2.gz ZJOPWLYERAZVHV-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncc(C)cc3C2)n[nH]1 ZINC001203080651 960727956 /nfs/dbraw/zinc/72/79/56/960727956.db2.gz AHHLZDTXKGZANA-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncc(C)cc3C2)n[nH]1 ZINC001203080651 960727967 /nfs/dbraw/zinc/72/79/67/960727967.db2.gz AHHLZDTXKGZANA-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)[nH]n1 ZINC001203081473 960732328 /nfs/dbraw/zinc/73/23/28/960732328.db2.gz ACFKWQKLVRYRPZ-SECBINFHSA-N 1 2 241.335 1.748 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@]23CCOC3)[nH]n1 ZINC001203081256 960737576 /nfs/dbraw/zinc/73/75/76/960737576.db2.gz MNKGGBQXMKBGOI-LLVKDONJSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@]23CCOC3)[nH]n1 ZINC001203081256 960737586 /nfs/dbraw/zinc/73/75/86/960737586.db2.gz MNKGGBQXMKBGOI-LLVKDONJSA-N 1 2 207.277 1.083 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140988359 960785095 /nfs/dbraw/zinc/78/50/95/960785095.db2.gz XQKARAURQOTKIX-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)c(O)c(F)c1 ZINC001140988359 960785109 /nfs/dbraw/zinc/78/51/09/960785109.db2.gz XQKARAURQOTKIX-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO c1coc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)n1 ZINC001141010855 960811920 /nfs/dbraw/zinc/81/19/20/960811920.db2.gz JAUBMDYTPYNBCO-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO c1coc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)n1 ZINC001141010855 960811921 /nfs/dbraw/zinc/81/19/21/960811921.db2.gz JAUBMDYTPYNBCO-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO CC(=O)N(C)C1CC[NH+](Cc2ncco2)CC1 ZINC001141011114 960812037 /nfs/dbraw/zinc/81/20/37/960812037.db2.gz QEFJRXCGPZTUNC-UHFFFAOYSA-N 1 2 237.303 1.117 20 0 BDADLO c1n[nH]cc1C[NH+]1CCN(c2cccnc2)CC1 ZINC001203086418 960816461 /nfs/dbraw/zinc/81/64/61/960816461.db2.gz RUEVKIXLXWUPKZ-UHFFFAOYSA-N 1 2 243.314 1.127 20 0 BDADLO c1coc(C[NH+]2CCC(n3cnnc3)CC2)n1 ZINC001141011360 960818158 /nfs/dbraw/zinc/81/81/58/960818158.db2.gz ZSHYGYVTYFIORP-UHFFFAOYSA-N 1 2 233.275 1.103 20 0 BDADLO c1cn2ccc(CN3CCCCO3)cc2[nH+]1 ZINC001141047691 960832782 /nfs/dbraw/zinc/83/27/82/960832782.db2.gz PXLJMSUDOLNPAL-UHFFFAOYSA-N 1 2 217.272 1.862 20 0 BDADLO O=C1CCN(Cc2ccn3cc[nH+]c3c2)C[C@H]1F ZINC001141046024 960835297 /nfs/dbraw/zinc/83/52/97/960835297.db2.gz KBHPCEYKKPAGOY-LLVKDONJSA-N 1 2 247.273 1.447 20 0 BDADLO c1cn2ccc(CN3CCO[C@H]4C[C@H]43)cc2[nH+]1 ZINC001141049339 960840965 /nfs/dbraw/zinc/84/09/65/960840965.db2.gz DOOILJDQUYGARW-NEPJUHHUSA-N 1 2 229.283 1.307 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ocnc1C)C2 ZINC001141053887 960849123 /nfs/dbraw/zinc/84/91/23/960849123.db2.gz RIGYFVIWXALJGC-JQWIXIFHSA-N 1 2 222.288 1.736 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ocnc1C)C2 ZINC001141053887 960849115 /nfs/dbraw/zinc/84/91/15/960849115.db2.gz RIGYFVIWXALJGC-JQWIXIFHSA-N 1 2 222.288 1.736 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001203097129 960884274 /nfs/dbraw/zinc/88/42/74/960884274.db2.gz XRKUTFDQDAMVKF-SECBINFHSA-N 1 2 227.308 1.439 20 0 BDADLO O=C1CC[C@]2(CCC[N@H+](Cc3cocn3)C2)O1 ZINC001141132232 960888104 /nfs/dbraw/zinc/88/81/04/960888104.db2.gz FXPXDYPDMXAGCR-LBPRGKRZSA-N 1 2 236.271 1.346 20 0 BDADLO O=C1CC[C@]2(CCC[N@@H+](Cc3cocn3)C2)O1 ZINC001141132232 960888110 /nfs/dbraw/zinc/88/81/10/960888110.db2.gz FXPXDYPDMXAGCR-LBPRGKRZSA-N 1 2 236.271 1.346 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCc2cccnc2C1 ZINC001203099178 960906172 /nfs/dbraw/zinc/90/61/72/960906172.db2.gz KHAOXPNAZBJZSU-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCc2cccnc2C1 ZINC001203099178 960906180 /nfs/dbraw/zinc/90/61/80/960906180.db2.gz KHAOXPNAZBJZSU-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO O[C@@H](C[N@@H+]1CC[C@@H](F)C1)c1ccccc1F ZINC000689818337 960916581 /nfs/dbraw/zinc/91/65/81/960916581.db2.gz QPPCFILYZSYYNI-SKDRFNHKSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@@H](C[N@H+]1CC[C@@H](F)C1)c1ccccc1F ZINC000689818337 960916617 /nfs/dbraw/zinc/91/66/17/960916617.db2.gz QPPCFILYZSYYNI-SKDRFNHKSA-N 1 2 227.254 1.903 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CC1=NOCC1)CC2 ZINC001167804159 961059146 /nfs/dbraw/zinc/05/91/46/961059146.db2.gz LNPVXXMDEDWTAW-UHFFFAOYSA-N 1 2 232.283 1.527 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CC1=NOCC1)CC2 ZINC001167804159 961059169 /nfs/dbraw/zinc/05/91/69/961059169.db2.gz LNPVXXMDEDWTAW-UHFFFAOYSA-N 1 2 232.283 1.527 20 0 BDADLO c1c(C[NH+]2CC3(CCC3)C2)nc2n1CCOC2 ZINC001141526499 961099655 /nfs/dbraw/zinc/09/96/55/961099655.db2.gz IPUHXQCVXWLYLK-UHFFFAOYSA-N 1 2 233.315 1.399 20 0 BDADLO COC(=O)C1C[NH+](Cc2cccc3c2OCO3)C1 ZINC001141949589 961188951 /nfs/dbraw/zinc/18/89/51/961188951.db2.gz CCVDENGCPZYEFB-UHFFFAOYSA-N 1 2 249.266 1.020 20 0 BDADLO CCC(C)(CC)C(=O)NC1C[NH+](CCOC)C1 ZINC001481603288 961295121 /nfs/dbraw/zinc/29/51/21/961295121.db2.gz PEMZFNSIRVWEEI-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@]23CCOC3)cn1 ZINC001203120905 961438544 /nfs/dbraw/zinc/43/85/44/961438544.db2.gz HBMUZNPTJPUBRL-GFCCVEGCSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@]23CCOC3)cn1 ZINC001203120905 961438560 /nfs/dbraw/zinc/43/85/60/961438560.db2.gz HBMUZNPTJPUBRL-GFCCVEGCSA-N 1 2 219.288 1.150 20 0 BDADLO COCCCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001142422388 961442437 /nfs/dbraw/zinc/44/24/37/961442437.db2.gz FQAZQNNZZWVFQK-LLVKDONJSA-N 1 2 239.319 1.329 20 0 BDADLO Cc1nc(NC[C@H]2CCC(=O)N2)cc(C(C)C)[nH+]1 ZINC000709800219 961584745 /nfs/dbraw/zinc/58/47/45/961584745.db2.gz QVNXZLMCQJVCTK-SNVBAGLBSA-N 1 2 248.330 1.599 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc2[nH]cnc21 ZINC001142690406 961631700 /nfs/dbraw/zinc/63/17/00/961631700.db2.gz UUXZIPUYOQBFOL-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2[nH]cnc21 ZINC001142690406 961631708 /nfs/dbraw/zinc/63/17/08/961631708.db2.gz UUXZIPUYOQBFOL-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO CN1CC2(C1)C[NH+](Cc1cccc3nc[nH]c31)C2 ZINC001142700338 961649462 /nfs/dbraw/zinc/64/94/62/961649462.db2.gz TVXLBZYXNFYVMW-UHFFFAOYSA-N 1 2 242.326 1.310 20 0 BDADLO Cc1c[nH]c(CCNC(=O)CC(C)C)[nH+]1 ZINC001142711333 961670450 /nfs/dbraw/zinc/67/04/50/961670450.db2.gz UHZIVNNCJIVDNZ-UHFFFAOYSA-N 1 2 209.293 1.423 20 0 BDADLO Fc1ccc(C[NH+]2CC3(C2)CCOC3)cn1 ZINC001137735438 961854410 /nfs/dbraw/zinc/85/44/10/961854410.db2.gz VZFBINVVZNJRHS-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO C[N@H+](CCF)Cc1cccn2ccnc12 ZINC001142962047 961857301 /nfs/dbraw/zinc/85/73/01/961857301.db2.gz CORSVWQNSLFHMN-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO C[N@@H+](CCF)Cc1cccn2ccnc12 ZINC001142962047 961857302 /nfs/dbraw/zinc/85/73/02/961857302.db2.gz CORSVWQNSLFHMN-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C1CCOCC1 ZINC001143013548 961863128 /nfs/dbraw/zinc/86/31/28/961863128.db2.gz YPDRFLSNCRBLCU-UHFFFAOYSA-N 1 2 246.310 1.357 20 0 BDADLO C[C@@H]1CC(=O)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143018792 961863790 /nfs/dbraw/zinc/86/37/90/961863790.db2.gz NRYBIFPVLHIWDS-LLVKDONJSA-N 1 2 243.310 1.888 20 0 BDADLO CC(=O)CN(C)Cc1ccc2[nH+]ccn2c1 ZINC001143017943 961864305 /nfs/dbraw/zinc/86/43/05/961864305.db2.gz BYEDRIDWZHLSEG-UHFFFAOYSA-N 1 2 217.272 1.355 20 0 BDADLO F[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)C[C@H]1F ZINC001143018082 961865955 /nfs/dbraw/zinc/86/59/55/961865955.db2.gz DWLZVJSIPXIEPZ-GHMZBOCLSA-N 1 2 237.253 1.826 20 0 BDADLO O=C1CCN(Cc2ccc3[nH+]ccn3c2)C[C@H]1F ZINC001143027588 961867930 /nfs/dbraw/zinc/86/79/30/961867930.db2.gz OZTLRDMAHNNATF-LLVKDONJSA-N 1 2 247.273 1.447 20 0 BDADLO COc1cc(C)cc(C[NH+]2CCOCC2)c1 ZINC001143148240 961890069 /nfs/dbraw/zinc/89/00/69/961890069.db2.gz ZUDLRFYKUBIIHD-UHFFFAOYSA-N 1 2 221.300 1.836 20 0 BDADLO c1c2cccnc2[nH]c1C[N@H+](C1CC1)C1COC1 ZINC001143224637 961960360 /nfs/dbraw/zinc/96/03/60/961960360.db2.gz WUMLBHPMVOVBRW-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1c2cccnc2[nH]c1C[N@@H+](C1CC1)C1COC1 ZINC001143224637 961960373 /nfs/dbraw/zinc/96/03/73/961960373.db2.gz WUMLBHPMVOVBRW-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO FC1(F)C[NH2+]CCN([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167931582 962063074 /nfs/dbraw/zinc/06/30/74/962063074.db2.gz OQZGJKGCVISMKW-ILWJIGKKSA-N 1 2 216.275 1.325 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)nc1C ZINC001150423261 962158588 /nfs/dbraw/zinc/15/85/88/962158588.db2.gz RZBNEZKNJRPKHY-LLVKDONJSA-N 1 2 249.314 1.431 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)nc1C ZINC001150423261 962158600 /nfs/dbraw/zinc/15/86/00/962158600.db2.gz RZBNEZKNJRPKHY-LLVKDONJSA-N 1 2 249.314 1.431 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)C1CCC1)CC2 ZINC001150700840 962201622 /nfs/dbraw/zinc/20/16/22/962201622.db2.gz DKDZMVKXIVJQGH-UHFFFAOYSA-N 1 2 231.299 1.349 20 0 BDADLO C[C@@H]1CCN1C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152970671 962508930 /nfs/dbraw/zinc/50/89/30/962508930.db2.gz BVIAAFYRNMRMFD-MRVPVSSYSA-N 1 2 215.256 1.797 20 0 BDADLO COc1cccnc1C[N@@H+](C)CC(OC)OC ZINC001206650810 962682380 /nfs/dbraw/zinc/68/23/80/962682380.db2.gz ZKZQCVBONDZGFO-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO COc1cccnc1C[N@H+](C)CC(OC)OC ZINC001206650810 962682399 /nfs/dbraw/zinc/68/23/99/962682399.db2.gz ZKZQCVBONDZGFO-UHFFFAOYSA-N 1 2 240.303 1.141 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccccc1F ZINC001269551152 962715627 /nfs/dbraw/zinc/71/56/27/962715627.db2.gz DXFHRBMNTHXDKO-AOOOYVTPSA-N 1 2 234.274 1.354 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccccc1F ZINC001269551152 962715635 /nfs/dbraw/zinc/71/56/35/962715635.db2.gz DXFHRBMNTHXDKO-AOOOYVTPSA-N 1 2 234.274 1.354 20 0 BDADLO Cc1nc(NCc2nccn2C)c2c([nH+]1)CCC2 ZINC001154616983 962812398 /nfs/dbraw/zinc/81/23/98/962812398.db2.gz DYLSZUVYBVCEIE-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO c1cn(CCNc2cc3ccccc3c[nH+]2)nn1 ZINC001154621766 962815927 /nfs/dbraw/zinc/81/59/27/962815927.db2.gz YURBZYSMVDMHJR-UHFFFAOYSA-N 1 2 239.282 1.938 20 0 BDADLO Cc1c(F)cc[nH+]c1NCCn1ccnn1 ZINC001154622574 962816060 /nfs/dbraw/zinc/81/60/60/962816060.db2.gz NDXFPXXQUUPWFS-UHFFFAOYSA-N 1 2 221.239 1.233 20 0 BDADLO CSc1cc[nH+]c(NCc2ncon2)c1 ZINC001154895584 962876008 /nfs/dbraw/zinc/87/60/08/962876008.db2.gz HDPIWGLEEXUNHY-UHFFFAOYSA-N 1 2 222.273 1.799 20 0 BDADLO Cc1c(F)ncnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000696419436 962977795 /nfs/dbraw/zinc/97/77/95/962977795.db2.gz YDCZJTQYVQQBEI-MRVPVSSYSA-N 1 2 235.266 1.621 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cnsc1 ZINC000712920366 963005198 /nfs/dbraw/zinc/00/51/98/963005198.db2.gz BIKAAHNWAYHCHW-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO C[NH+]1CC(NC(=O)c2cccc3c2CCCO3)C1 ZINC001155607626 963124132 /nfs/dbraw/zinc/12/41/32/963124132.db2.gz QUSOFZKLKCERJF-UHFFFAOYSA-N 1 2 246.310 1.055 20 0 BDADLO Cn1cc(NCCCn2cc[nH+]c2)ccc1=O ZINC001161684868 963201539 /nfs/dbraw/zinc/20/15/39/963201539.db2.gz UFNCPXUIJVBDDT-UHFFFAOYSA-N 1 2 232.287 1.084 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC(=O)N(C)C[C@@H]1C ZINC001156186279 963283381 /nfs/dbraw/zinc/28/33/81/963283381.db2.gz LKFMFCKHEGAPIN-QMMMGPOBSA-N 1 2 237.278 1.196 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnn(C)c2)CCC1=O ZINC001204979371 963290849 /nfs/dbraw/zinc/29/08/49/963290849.db2.gz SNRTUNMWGYVVAT-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnn(C)c2)CCC1=O ZINC001204979371 963290857 /nfs/dbraw/zinc/29/08/57/963290857.db2.gz SNRTUNMWGYVVAT-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO C[C@H]1CN(c2cc(N)nc[nH+]2)C2(CC2)C1 ZINC001156418096 963341121 /nfs/dbraw/zinc/34/11/21/963341121.db2.gz BIQUQMMEKVTBAT-MRVPVSSYSA-N 1 2 204.277 1.438 20 0 BDADLO C/C=C(\CC)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156538409 963382112 /nfs/dbraw/zinc/38/21/12/963382112.db2.gz UHRFQLUNEBOMMW-RUDMXATFSA-N 1 2 221.304 1.945 20 0 BDADLO CC=C(CC)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156538409 963382118 /nfs/dbraw/zinc/38/21/18/963382118.db2.gz UHRFQLUNEBOMMW-RUDMXATFSA-N 1 2 221.304 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)C(C)(C)F)c[nH+]1 ZINC001156537877 963382605 /nfs/dbraw/zinc/38/26/05/963382605.db2.gz BCYYFDMMPZXJPS-UHFFFAOYSA-N 1 2 213.256 1.336 20 0 BDADLO CCc1[nH]cc(CNC(=O)C(C)(C)F)[nH+]1 ZINC001156537877 963382609 /nfs/dbraw/zinc/38/26/09/963382609.db2.gz BCYYFDMMPZXJPS-UHFFFAOYSA-N 1 2 213.256 1.336 20 0 BDADLO COc1c[nH+]c(NCc2cncnc2)c(C)c1 ZINC001156572362 963390154 /nfs/dbraw/zinc/39/01/54/963390154.db2.gz KGBMZKCLQMZGLV-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cc1cnc(NCc2cc[nH+]c(N)c2)cn1 ZINC001156756150 963453581 /nfs/dbraw/zinc/45/35/81/963453581.db2.gz PQMYWACKEOFHRL-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO CCOC(=O)c1cnc2nc[nH]c(NC=[NH2+])c1-2 ZINC001157073690 963523413 /nfs/dbraw/zinc/52/34/13/963523413.db2.gz ZLHUSMYZTYSGKO-UHFFFAOYSA-N 1 2 233.231 1.154 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ncccn1 ZINC001157461779 963621141 /nfs/dbraw/zinc/62/11/41/963621141.db2.gz SGYLMCCRGOAFTJ-UHFFFAOYSA-N 1 2 217.276 1.200 20 0 BDADLO CCCNc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001168133233 963824929 /nfs/dbraw/zinc/82/49/29/963824929.db2.gz ZXQBYEOTNBJWLU-INIZCTEOSA-N 1 2 238.316 1.469 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C)cc2C)C[NH2+]1 ZINC001158254527 963839229 /nfs/dbraw/zinc/83/92/29/963839229.db2.gz FGJLYEZXGRRGDS-MNOVXSKESA-N 1 2 249.314 1.014 20 0 BDADLO C=Cc1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)nc1 ZINC001158255514 963840257 /nfs/dbraw/zinc/84/02/57/963840257.db2.gz VYDWAHYXYACYKD-MNOVXSKESA-N 1 2 247.298 1.040 20 0 BDADLO COC(=O)[C@H]1CN(c2nc(C)[nH+]cc2C)C[C@@H]1C ZINC001158504416 963881723 /nfs/dbraw/zinc/88/17/23/963881723.db2.gz HXCHCOKNRSQJOR-ONGXEEELSA-N 1 2 249.314 1.339 20 0 BDADLO C=Cc1ccc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC001158707231 963905975 /nfs/dbraw/zinc/90/59/75/963905975.db2.gz KREBAOIIBHFCJA-LBPRGKRZSA-N 1 2 233.315 1.467 20 0 BDADLO C=Cc1ccc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC001158707231 963905977 /nfs/dbraw/zinc/90/59/77/963905977.db2.gz KREBAOIIBHFCJA-LBPRGKRZSA-N 1 2 233.315 1.467 20 0 BDADLO C=CC(=O)NCCNc1cc(C(C)C)[nH+]c(C)n1 ZINC001158832663 963938065 /nfs/dbraw/zinc/93/80/65/963938065.db2.gz LYGIRDIGPKUDMV-UHFFFAOYSA-N 1 2 248.330 1.623 20 0 BDADLO CNc1cc(N[C@@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000302555136 964098977 /nfs/dbraw/zinc/09/89/77/964098977.db2.gz KUTSYRQJNOHNJF-QMMMGPOBSA-N 1 2 232.291 1.425 20 0 BDADLO CNc1cc(N[C@@H](C)c2cnn(C)c2)[nH+]cn1 ZINC000302555136 964098990 /nfs/dbraw/zinc/09/89/90/964098990.db2.gz KUTSYRQJNOHNJF-QMMMGPOBSA-N 1 2 232.291 1.425 20 0 BDADLO Cc1c[nH+]c(Nc2ccc(C(N)=O)nc2)c(N)c1 ZINC001203429938 964129466 /nfs/dbraw/zinc/12/94/66/964129466.db2.gz MMHKNRLPTZQTRB-UHFFFAOYSA-N 1 2 243.270 1.210 20 0 BDADLO CS[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001159861788 964212108 /nfs/dbraw/zinc/21/21/08/964212108.db2.gz RYRKVOSTNJFASX-JTQLQIEISA-N 1 2 239.344 1.306 20 0 BDADLO CS[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001159861788 964212118 /nfs/dbraw/zinc/21/21/18/964212118.db2.gz RYRKVOSTNJFASX-JTQLQIEISA-N 1 2 239.344 1.306 20 0 BDADLO CSc1cc[nH+]c(NC2CN(C(C)=O)C2)c1 ZINC001159935088 964229135 /nfs/dbraw/zinc/22/91/35/964229135.db2.gz WUVGLFWRXBTQOJ-UHFFFAOYSA-N 1 2 237.328 1.446 20 0 BDADLO COC(=O)C[C@H](C)Nc1nc[nH+]c2cc[nH]c21 ZINC001160525249 964324886 /nfs/dbraw/zinc/32/48/86/964324886.db2.gz ATLHOYJWCBKLJV-ZETCQYMHSA-N 1 2 234.259 1.321 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)o1 ZINC001204389717 964337793 /nfs/dbraw/zinc/33/77/93/964337793.db2.gz SPLUIYCPTVYGTN-WDEREUQCSA-N 1 2 241.306 1.994 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)o1 ZINC001204389717 964337799 /nfs/dbraw/zinc/33/77/99/964337799.db2.gz SPLUIYCPTVYGTN-WDEREUQCSA-N 1 2 241.306 1.994 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)nc1 ZINC001168309122 964408174 /nfs/dbraw/zinc/40/81/74/964408174.db2.gz JUKZOGOZLWLICH-VHSXEESVSA-N 1 2 239.269 1.872 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)nc1 ZINC001168309122 964408180 /nfs/dbraw/zinc/40/81/80/964408180.db2.gz JUKZOGOZLWLICH-VHSXEESVSA-N 1 2 239.269 1.872 20 0 BDADLO C[C@@]1(O)C[C@H](CNc2c(F)cc[nH+]c2N)C1 ZINC001168346015 964486070 /nfs/dbraw/zinc/48/60/70/964486070.db2.gz MVQSZOUJCFNPSJ-DGFRNANFSA-N 1 2 225.267 1.376 20 0 BDADLO Nc1cn(-c2cccc3[nH]c[nH+]c32)ccc1=O ZINC001213028854 964491936 /nfs/dbraw/zinc/49/19/36/964491936.db2.gz ZDRGRMGMHNSJLF-UHFFFAOYSA-N 1 2 226.239 1.296 20 0 BDADLO CCC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001161052297 964504147 /nfs/dbraw/zinc/50/41/47/964504147.db2.gz IXAXOXRCWITICW-LLVKDONJSA-N 1 2 233.315 1.314 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001161175030 964550850 /nfs/dbraw/zinc/55/08/50/964550850.db2.gz MUVBIWFNNFGQEG-GARJFASQSA-N 1 2 221.304 1.605 20 0 BDADLO CC(C)C[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001161648826 964664712 /nfs/dbraw/zinc/66/47/12/964664712.db2.gz SHRJAAFJJPXEGJ-UHFFFAOYSA-N 1 2 205.261 1.644 20 0 BDADLO Cc1ccc(C[NH2+]c2ccc3c(=O)[nH]cc-3[nH]2)o1 ZINC001161765063 964742106 /nfs/dbraw/zinc/74/21/06/964742106.db2.gz KCSVCZIUWRZOQT-UHFFFAOYSA-N 1 2 243.266 1.839 20 0 BDADLO COC(=[NH2+])c1cccc(NCCn2ccnn2)c1 ZINC001161930308 964823946 /nfs/dbraw/zinc/82/39/46/964823946.db2.gz NRYYSSUBONQLER-UHFFFAOYSA-N 1 2 245.286 1.362 20 0 BDADLO COc1c[nH+]c(NCCCn2cncn2)c(C)c1 ZINC001161961680 964837870 /nfs/dbraw/zinc/83/78/70/964837870.db2.gz IHVOASZURNMNKB-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO CCc1coc(CN/C(C)=C/C=C/[NH3+])n1 ZINC001162138554 964854347 /nfs/dbraw/zinc/85/43/47/964854347.db2.gz VNQSGTNRNFQFKY-REZHQCRGSA-N 1 2 207.277 1.703 20 0 BDADLO Cc1cnc(CCNc2c(F)cc[nH+]c2N)nc1 ZINC001162246354 964890371 /nfs/dbraw/zinc/89/03/71/964890371.db2.gz VLBNQZWNEWSUGS-UHFFFAOYSA-N 1 2 247.277 1.556 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@]3(CCO3)C2)cs1 ZINC001137596960 964900298 /nfs/dbraw/zinc/90/02/98/964900298.db2.gz JQXPCUVKNRLKQS-NSHDSACASA-N 1 2 224.329 1.898 20 0 BDADLO c1nc(C[N@H+]2CCC[C@]3(CCO3)C2)cs1 ZINC001137596960 964900308 /nfs/dbraw/zinc/90/03/08/964900308.db2.gz JQXPCUVKNRLKQS-NSHDSACASA-N 1 2 224.329 1.898 20 0 BDADLO COc1cc(C)c[nH+]c1N[C@H]1CCCNC(=O)C1 ZINC001162454530 964985474 /nfs/dbraw/zinc/98/54/74/964985474.db2.gz QVMUTZOSOIVDMP-JTQLQIEISA-N 1 2 249.314 1.479 20 0 BDADLO Nc1[nH+]c(N[C@H]2CCC[C@H]2CO)ccc1Cl ZINC001162610042 965078604 /nfs/dbraw/zinc/07/86/04/965078604.db2.gz YSEWVRPSZKWEGH-CBAPKCEASA-N 1 2 241.722 1.890 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1cc(C(N)=O)ncn1 ZINC001162662518 965089554 /nfs/dbraw/zinc/08/95/54/965089554.db2.gz WZDYFLOHCLNNIS-UHFFFAOYSA-N 1 2 221.264 1.011 20 0 BDADLO CC(=O)Nc1ccc(NC(=[NH2+])C(C)(C)C)nn1 ZINC001162657219 965092961 /nfs/dbraw/zinc/09/29/61/965092961.db2.gz JFEORPFBVARZJB-UHFFFAOYSA-N 1 2 235.291 1.870 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1ncnc2c1COCC2 ZINC001162657840 965094107 /nfs/dbraw/zinc/09/41/07/965094107.db2.gz RNBPCLQCIGCOCK-UHFFFAOYSA-N 1 2 234.303 1.985 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1ccc2nncn2n1 ZINC001162664820 965098866 /nfs/dbraw/zinc/09/88/66/965098866.db2.gz QIPAXBFYSVKEAD-UHFFFAOYSA-N 1 2 218.264 1.560 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNc2cncnc2C2CC2)C1 ZINC001162690360 965124022 /nfs/dbraw/zinc/12/40/22/965124022.db2.gz VREWBQJHPOATJA-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCO[C@@H](CNc2cncnc2C2CC2)C1 ZINC001162690360 965124029 /nfs/dbraw/zinc/12/40/29/965124029.db2.gz VREWBQJHPOATJA-NSHDSACASA-N 1 2 248.330 1.097 20 0 BDADLO Cc1ccc(NC[C@H]2C[N@H+](C)CCO2)c(F)n1 ZINC001162688949 965125090 /nfs/dbraw/zinc/12/50/90/965125090.db2.gz XZCSTWMWASTHBF-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccc(NC[C@H]2C[N@@H+](C)CCO2)c(F)n1 ZINC001162688949 965125095 /nfs/dbraw/zinc/12/50/95/965125095.db2.gz XZCSTWMWASTHBF-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO c1cn2cc(CNc3cnccn3)ccc2[nH+]1 ZINC001163135348 965262769 /nfs/dbraw/zinc/26/27/69/965262769.db2.gz DLGZJEHRUSEDPG-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO C[C@@H]([NH2+]CC(C)(C)CCO)C(=O)OC(C)(C)C ZINC000227951648 965279346 /nfs/dbraw/zinc/27/93/46/965279346.db2.gz JMKPZZYCBHJVDW-SNVBAGLBSA-N 1 2 245.363 1.715 20 0 BDADLO CCOC(=O)C=C(N)Nc1ccn2cc[nH+]c2c1 ZINC001163448125 965403802 /nfs/dbraw/zinc/40/38/02/965403802.db2.gz YJEBYQCSBPFMKI-UHFFFAOYSA-N 1 2 246.270 1.677 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCCC[C@@H]1CO ZINC001163552000 965447110 /nfs/dbraw/zinc/44/71/10/965447110.db2.gz SPHDWYJVHUHRAN-LLVKDONJSA-N 1 2 236.315 1.750 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCOC1CCC1 ZINC000690926957 965483364 /nfs/dbraw/zinc/48/33/64/965483364.db2.gz HBLIEERFUWFOMD-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO CC(C)N(C)c1ccc(Cn2cncn2)c[nH+]1 ZINC001163622992 965486273 /nfs/dbraw/zinc/48/62/73/965486273.db2.gz ZCVLKHBILJHQTK-UHFFFAOYSA-N 1 2 231.303 1.566 20 0 BDADLO c1nnc2n1CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001163679083 965501338 /nfs/dbraw/zinc/50/13/38/965501338.db2.gz DTYOLPIFPNKDAS-UHFFFAOYSA-N 1 2 241.298 1.571 20 0 BDADLO COCC(C)=CC(=O)Nc1c(C)c[nH+]cc1C ZINC001121231176 965522719 /nfs/dbraw/zinc/52/27/19/965522719.db2.gz IVTMLVXNHDIISZ-WEVVVXLNSA-N 1 2 234.299 1.652 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585247 965530672 /nfs/dbraw/zinc/53/06/72/965530672.db2.gz BSNBKQZSBQVXRD-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233585247 965530688 /nfs/dbraw/zinc/53/06/88/965530688.db2.gz BSNBKQZSBQVXRD-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO COCC1CN(c2[nH+]cc(C)cc2OC)C1 ZINC001163732536 965548288 /nfs/dbraw/zinc/54/82/88/965548288.db2.gz FZOQGGPMQHDSTO-UHFFFAOYSA-N 1 2 222.288 1.481 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698954179 965630629 /nfs/dbraw/zinc/63/06/29/965630629.db2.gz WQEQZDFDAFDJJC-SNVBAGLBSA-N 1 2 221.247 1.322 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000698954179 965630637 /nfs/dbraw/zinc/63/06/37/965630637.db2.gz WQEQZDFDAFDJJC-SNVBAGLBSA-N 1 2 221.247 1.322 20 0 BDADLO Cc1c[nH+]cc(N[C@@H]2C=CS(=O)(=O)C2)c1C ZINC001164016715 965694711 /nfs/dbraw/zinc/69/47/11/965694711.db2.gz VQOKOLYGJAZPHS-SNVBAGLBSA-N 1 2 238.312 1.421 20 0 BDADLO C[C@@H]1[C@H](CO)CCN1c1ccc(Cl)c(N)[nH+]1 ZINC001164056229 965722167 /nfs/dbraw/zinc/72/21/67/965722167.db2.gz GWTZUMUFXXZZML-SFYZADRCSA-N 1 2 241.722 1.524 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@H](O)[C@@H](F)CC1 ZINC001164238979 965809654 /nfs/dbraw/zinc/80/96/54/965809654.db2.gz LRNFCAXQNNLQSY-WDEREUQCSA-N 1 2 242.269 1.828 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2c[nH+]cc(C)c2C)CN1 ZINC001164308653 965839909 /nfs/dbraw/zinc/83/99/09/965839909.db2.gz OSYSIWCNTBIOFV-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO C[C@]1(F)CCN(c2cc(N)nc[nH+]2)C[C@@H]1F ZINC001164340639 965850137 /nfs/dbraw/zinc/85/01/37/965850137.db2.gz ZMBYGCXCDAXHFG-XVKPBYJWSA-N 1 2 228.246 1.335 20 0 BDADLO Fc1cccnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488824 965895206 /nfs/dbraw/zinc/89/52/06/965895206.db2.gz MKQLMYIEGKTQHF-UHFFFAOYSA-N 1 2 231.221 1.266 20 0 BDADLO CSc1cc[nH+]c(N2CCOC[C@@H](O)C2)c1 ZINC001164519215 965902465 /nfs/dbraw/zinc/90/24/65/965902465.db2.gz VLVRVZOGQPJIDF-VIFPVBQESA-N 1 2 240.328 1.001 20 0 BDADLO CC1(C)CN(c2cc(N)nc[nH+]2)CCC1(F)F ZINC001165217262 965981991 /nfs/dbraw/zinc/98/19/91/965981991.db2.gz VHDKDTZBGARFEX-UHFFFAOYSA-N 1 2 242.273 1.930 20 0 BDADLO CCC[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)OCC ZINC000699574201 965998246 /nfs/dbraw/zinc/99/82/46/965998246.db2.gz NGJLNPZHEGVYON-DCAQKATOSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@](C)(O)C1 ZINC001165229134 965998730 /nfs/dbraw/zinc/99/87/30/965998730.db2.gz ONLIXXPLOQCARQ-LLVKDONJSA-N 1 2 210.252 1.490 20 0 BDADLO Cc1cc(N(C)C[C@H](O)CO)[nH+]c2ccccc12 ZINC001165533341 966121792 /nfs/dbraw/zinc/12/17/92/966121792.db2.gz VBCVAAOPMNGRLP-NSHDSACASA-N 1 2 246.310 1.333 20 0 BDADLO CCCNc1cc(N[C@H]2COC[C@H]2C)nc[nH+]1 ZINC000699873678 966154466 /nfs/dbraw/zinc/15/44/66/966154466.db2.gz IWLCSZUUUQRTLM-ZJUUUORDSA-N 1 2 236.319 1.745 20 0 BDADLO CCCNc1cc(N[C@H]2COC[C@H]2C)[nH+]cn1 ZINC000699873678 966154474 /nfs/dbraw/zinc/15/44/74/966154474.db2.gz IWLCSZUUUQRTLM-ZJUUUORDSA-N 1 2 236.319 1.745 20 0 BDADLO C[C@@H](CCO)Nc1[nH+]cnc2[nH]cc(F)c21 ZINC001165859121 966181306 /nfs/dbraw/zinc/18/13/06/966181306.db2.gz SLPGOLJLLISFTP-LURJTMIESA-N 1 2 224.239 1.280 20 0 BDADLO Cc1nc(NCc2ccccc2C(N)=O)cc[nH+]1 ZINC001166208432 966257292 /nfs/dbraw/zinc/25/72/92/966257292.db2.gz RWCWLMSCIVSXGG-UHFFFAOYSA-N 1 2 242.282 1.496 20 0 BDADLO Cc1nc(N2CC[C@@H](CO)C2)c2c([nH+]1)CCC2 ZINC001166550263 966298210 /nfs/dbraw/zinc/29/82/10/966298210.db2.gz RLWDSOIKNHUJAW-SNVBAGLBSA-N 1 2 233.315 1.092 20 0 BDADLO Nc1cc(N2CC[C@H](c3ccncc3)C2)[nH+]cn1 ZINC001166567524 966306321 /nfs/dbraw/zinc/30/63/21/966306321.db2.gz OASMRPLUIAZTPI-NSHDSACASA-N 1 2 241.298 1.448 20 0 BDADLO CCN(CCC(N)=O)c1ccc(C(C)C)c[nH+]1 ZINC001166588372 966310007 /nfs/dbraw/zinc/31/00/07/966310007.db2.gz FWUJFSZHCSVCTH-UHFFFAOYSA-N 1 2 235.331 1.907 20 0 BDADLO CCN(CCC(N)=O)c1[nH+]ccc2ccccc21 ZINC001166587654 966311420 /nfs/dbraw/zinc/31/14/20/966311420.db2.gz AWNOSYNBOQSSMN-UHFFFAOYSA-N 1 2 243.310 1.937 20 0 BDADLO CC1(C)C(=O)NCCN1c1cccc(C2CC2)[nH+]1 ZINC001166608165 966324220 /nfs/dbraw/zinc/32/42/20/966324220.db2.gz IWGMJHTVTRVIEX-UHFFFAOYSA-N 1 2 245.326 1.674 20 0 BDADLO COc1ccc(F)c(F)c1C[N@H+](C)CCO ZINC001236255131 966325802 /nfs/dbraw/zinc/32/58/02/966325802.db2.gz AIBDCYWEELARBZ-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO COc1ccc(F)c(F)c1C[N@@H+](C)CCO ZINC001236255131 966325818 /nfs/dbraw/zinc/32/58/18/966325818.db2.gz AIBDCYWEELARBZ-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCNC(=O)C1(C)C ZINC001166605682 966325840 /nfs/dbraw/zinc/32/58/40/966325840.db2.gz NKWKEUMZYWUHGQ-UHFFFAOYSA-N 1 2 249.314 1.113 20 0 BDADLO CC(=O)OC1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001166640830 966347241 /nfs/dbraw/zinc/34/72/41/966347241.db2.gz RJEUYQOFNDXDMU-UHFFFAOYSA-N 1 2 247.298 1.414 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)CCNC3=O)c[nH+]1 ZINC001236313282 966361248 /nfs/dbraw/zinc/36/12/48/966361248.db2.gz LDKQMXQTXZEPOG-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO Cc1c[nH+]cc(N[C@@H]2CCN(C)C2=O)c1C ZINC001166686617 966365165 /nfs/dbraw/zinc/36/51/65/966365165.db2.gz UBFNUWULVCRJJV-SNVBAGLBSA-N 1 2 219.288 1.341 20 0 BDADLO Cc1cc(N2CC3(CCO3)C2)nc(C2CC2)[nH+]1 ZINC001166942126 966465826 /nfs/dbraw/zinc/46/58/26/966465826.db2.gz BJZJDQHHGBGJGH-UHFFFAOYSA-N 1 2 231.299 1.642 20 0 BDADLO CO[C@@H]1CCCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001166953743 966481502 /nfs/dbraw/zinc/48/15/02/966481502.db2.gz YJZYURUXHDAGLX-MRVPVSSYSA-N 1 2 241.722 1.932 20 0 BDADLO C[C@@H]([NH3+])CONC(=O)C1(c2ccccc2)CCC1 ZINC001521808324 966490736 /nfs/dbraw/zinc/49/07/36/966490736.db2.gz YYMJGRZOULUNII-LLVKDONJSA-N 1 2 248.326 1.503 20 0 BDADLO CCc1cc(N(C)C2(C)COC2)nc(C)[nH+]1 ZINC001166985711 966507755 /nfs/dbraw/zinc/50/77/55/966507755.db2.gz IDYRQJMYVRDIMQ-UHFFFAOYSA-N 1 2 221.304 1.573 20 0 BDADLO F[C@@H]1CCC2(C1)CC[NH+](Cc1cnn[nH]1)CC2 ZINC001203207176 966543053 /nfs/dbraw/zinc/54/30/53/966543053.db2.gz JOUNWJFNTOFFOV-SNVBAGLBSA-N 1 2 238.310 1.909 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)CC1CC(F)(F)C1 ZINC001203206673 966551398 /nfs/dbraw/zinc/55/13/98/966551398.db2.gz VUVYKYZKLNFZMO-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO C[N@@H+](Cc1cnn[nH]1)CC1CC(F)(F)C1 ZINC001203206673 966551347 /nfs/dbraw/zinc/55/13/47/966551347.db2.gz VUVYKYZKLNFZMO-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO C[N@H+](Cc1cnn[nH]1)CC1CC(F)(F)C1 ZINC001203206673 966551360 /nfs/dbraw/zinc/55/13/60/966551360.db2.gz VUVYKYZKLNFZMO-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO C[N@@H+](Cc1c[nH]nn1)CC1CC(F)(F)C1 ZINC001203206673 966551371 /nfs/dbraw/zinc/55/13/71/966551371.db2.gz VUVYKYZKLNFZMO-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO C[N@H+](Cc1c[nH]nn1)CC1CC(F)(F)C1 ZINC001203206673 966551387 /nfs/dbraw/zinc/55/13/87/966551387.db2.gz VUVYKYZKLNFZMO-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO CNc1ccc(Nc2ncc(F)cc2N)c[nH+]1 ZINC001203449836 966654496 /nfs/dbraw/zinc/65/44/96/966654496.db2.gz MRLQZDMNQSBUSE-UHFFFAOYSA-N 1 2 233.250 1.983 20 0 BDADLO CCOc1ccccc1C[NH+]1CC(C(=O)OC)C1 ZINC001203534491 966670242 /nfs/dbraw/zinc/67/02/42/966670242.db2.gz FSLNSGYHBCCFEQ-UHFFFAOYSA-N 1 2 249.310 1.690 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001237607640 966677074 /nfs/dbraw/zinc/67/70/74/966677074.db2.gz COYNKXQPTPSFAD-QWRGUYRKSA-N 1 2 220.320 1.959 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001237607640 966677078 /nfs/dbraw/zinc/67/70/78/966677078.db2.gz COYNKXQPTPSFAD-QWRGUYRKSA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001237607640 966677081 /nfs/dbraw/zinc/67/70/81/966677081.db2.gz COYNKXQPTPSFAD-QWRGUYRKSA-N 1 2 220.320 1.959 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001237607640 966677084 /nfs/dbraw/zinc/67/70/84/966677084.db2.gz COYNKXQPTPSFAD-QWRGUYRKSA-N 1 2 220.320 1.959 20 0 BDADLO CCc1n[nH]cc1C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001237655993 966688005 /nfs/dbraw/zinc/68/80/05/966688005.db2.gz SGBJVXIHHFRZKL-BETUJISGSA-N 1 2 248.374 1.356 20 0 BDADLO CCc1n[nH]cc1C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001237655993 966688019 /nfs/dbraw/zinc/68/80/19/966688019.db2.gz SGBJVXIHHFRZKL-BETUJISGSA-N 1 2 248.374 1.356 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3cccnc3)C2)C1 ZINC001204075911 966882063 /nfs/dbraw/zinc/88/20/63/966882063.db2.gz WGKPGWLHMGBZRO-LBPRGKRZSA-N 1 2 235.306 1.310 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3cccnc3)C2)C1 ZINC001204075911 966882066 /nfs/dbraw/zinc/88/20/66/966882066.db2.gz WGKPGWLHMGBZRO-LBPRGKRZSA-N 1 2 235.306 1.310 20 0 BDADLO Oc1ccc(C[NH+]2CC(N3CC(F)C3)C2)cc1 ZINC001204088341 966891892 /nfs/dbraw/zinc/89/18/92/966891892.db2.gz DQWSYFYWPQLXPP-UHFFFAOYSA-N 1 2 236.290 1.230 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001204174073 966914304 /nfs/dbraw/zinc/91/43/04/966914304.db2.gz RPZAZVBBYKZXIU-AWEZNQCLSA-N 1 2 233.311 1.785 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001204174073 966914315 /nfs/dbraw/zinc/91/43/15/966914315.db2.gz RPZAZVBBYKZXIU-AWEZNQCLSA-N 1 2 233.311 1.785 20 0 BDADLO CCOC(=O)c1cnoc1Nc1ccc[nH+]c1N ZINC001212391287 967005304 /nfs/dbraw/zinc/00/53/04/967005304.db2.gz KKJOMXGJJSDJQJ-UHFFFAOYSA-N 1 2 248.242 1.572 20 0 BDADLO Cc1cc(C[N@@H+]2CCCNC(=O)C2)oc1C ZINC001204538218 967036188 /nfs/dbraw/zinc/03/61/88/967036188.db2.gz YFCZQRDNUGFWQK-UHFFFAOYSA-N 1 2 222.288 1.218 20 0 BDADLO Cc1cc(C[N@H+]2CCCNC(=O)C2)oc1C ZINC001204538218 967036191 /nfs/dbraw/zinc/03/61/91/967036191.db2.gz YFCZQRDNUGFWQK-UHFFFAOYSA-N 1 2 222.288 1.218 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000094657546 967037843 /nfs/dbraw/zinc/03/78/43/967037843.db2.gz CQENBYOLFOBBLM-MFKMUULPSA-N 1 2 248.326 1.554 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000094657546 967037853 /nfs/dbraw/zinc/03/78/53/967037853.db2.gz CQENBYOLFOBBLM-MFKMUULPSA-N 1 2 248.326 1.554 20 0 BDADLO Cc1cc(-n2cc3ccc(N)cc3n2)c[nH+]c1N ZINC001249788013 967069736 /nfs/dbraw/zinc/06/97/36/967069736.db2.gz XRWAPOBZQUXOLY-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO CCN(Cc1[nH]c[nH+]c1C)[C@@H](C)C(=O)OC ZINC001204602917 967099813 /nfs/dbraw/zinc/09/98/13/967099813.db2.gz BDZGKQQVXUMXQK-VIFPVBQESA-N 1 2 225.292 1.102 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC[C@H]1c1ncccn1 ZINC001204603352 967099842 /nfs/dbraw/zinc/09/98/42/967099842.db2.gz HPFOWLIAEUBKEE-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO C[N@@H+]1CCO[C@@H](COCC(=O)c2ccccc2)C1 ZINC001204722921 967141945 /nfs/dbraw/zinc/14/19/45/967141945.db2.gz MOLSVHGHMMLTKE-CYBMUJFWSA-N 1 2 249.310 1.217 20 0 BDADLO C[N@H+]1CCO[C@@H](COCC(=O)c2ccccc2)C1 ZINC001204722921 967141951 /nfs/dbraw/zinc/14/19/51/967141951.db2.gz MOLSVHGHMMLTKE-CYBMUJFWSA-N 1 2 249.310 1.217 20 0 BDADLO Cc1ccc(NC#N)c(C[NH+]2CCOCC2)c1 ZINC001168635841 967159592 /nfs/dbraw/zinc/15/95/92/967159592.db2.gz DQFZGJMCEAMCKC-UHFFFAOYSA-N 1 2 231.299 1.720 20 0 BDADLO CCC(=O)Cc1cc[nH+]c(N2CCOCC2)c1 ZINC001249923201 967168365 /nfs/dbraw/zinc/16/83/65/967168365.db2.gz OVTRPKPXOZKLHW-UHFFFAOYSA-N 1 2 234.299 1.440 20 0 BDADLO COc1cc(Nc2ccn3cc[nH+]c3c2)ncn1 ZINC001204951406 967250027 /nfs/dbraw/zinc/25/00/27/967250027.db2.gz QZRCMKMZBMBQEZ-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO CCOc1cc(C[NH+]2CC3(CC(O)C3)C2)ccn1 ZINC001249998991 967253875 /nfs/dbraw/zinc/25/38/75/967253875.db2.gz XZIZQFVNEDOORJ-UHFFFAOYSA-N 1 2 248.326 1.437 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cn1 ZINC001204978769 967272119 /nfs/dbraw/zinc/27/21/19/967272119.db2.gz GKMASEMTRGBHOR-SNVBAGLBSA-N 1 2 247.264 1.989 20 0 BDADLO Cn1cc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cn1 ZINC001204978769 967272125 /nfs/dbraw/zinc/27/21/25/967272125.db2.gz GKMASEMTRGBHOR-SNVBAGLBSA-N 1 2 247.264 1.989 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001205137878 967382503 /nfs/dbraw/zinc/38/25/03/967382503.db2.gz BXZBQFRZLUQJNU-LBPRGKRZSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001205137878 967382510 /nfs/dbraw/zinc/38/25/10/967382510.db2.gz BXZBQFRZLUQJNU-LBPRGKRZSA-N 1 2 221.304 1.175 20 0 BDADLO COc1nccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213843 967423208 /nfs/dbraw/zinc/42/32/08/967423208.db2.gz HBUJPMMFMIQCFI-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccc(C)c(F)c2)C1 ZINC001205215068 967428586 /nfs/dbraw/zinc/42/85/86/967428586.db2.gz IALOJHMTMINRHZ-UHFFFAOYSA-N 1 2 237.274 1.739 20 0 BDADLO Nc1ccc(CC(=O)Oc2ccccc2)c[nH+]1 ZINC001250258415 967566316 /nfs/dbraw/zinc/56/63/16/967566316.db2.gz CHZWNSIUNUQJEA-UHFFFAOYSA-N 1 2 228.251 1.812 20 0 BDADLO Cc1cc(CC(=O)N2CCOCC2)cc(C)[nH+]1 ZINC001250281087 967612167 /nfs/dbraw/zinc/61/21/67/967612167.db2.gz FVNKCDUAOBAXRA-UHFFFAOYSA-N 1 2 234.299 1.100 20 0 BDADLO OCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000084989266 967640621 /nfs/dbraw/zinc/64/06/21/967640621.db2.gz YCKFQNMXYHLCBE-UHFFFAOYSA-N 1 2 213.227 1.389 20 0 BDADLO COc1ccc(F)cc1C[NH+]1CC(CO)C1 ZINC000084989728 967643285 /nfs/dbraw/zinc/64/32/85/967643285.db2.gz KERULOHIIRUORG-UHFFFAOYSA-N 1 2 225.263 1.258 20 0 BDADLO COc1cc(O)ccc1CCn1cc[nH+]c1 ZINC001250318642 967690184 /nfs/dbraw/zinc/69/01/84/967690184.db2.gz IDSVRRWHWAMZGM-UHFFFAOYSA-N 1 2 218.256 1.840 20 0 BDADLO c1cn(CCc2cnn3ccccc23)c[nH+]1 ZINC001250319016 967692646 /nfs/dbraw/zinc/69/26/46/967692646.db2.gz PGSLPYNXBCMOQI-UHFFFAOYSA-N 1 2 212.256 1.774 20 0 BDADLO OCCc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250318951 967694455 /nfs/dbraw/zinc/69/44/55/967694455.db2.gz NUTACCYZIOSVJR-UHFFFAOYSA-N 1 2 216.284 1.661 20 0 BDADLO COc1cc(C(N)=O)ccc1CCn1cc[nH+]c1 ZINC001250320922 967700644 /nfs/dbraw/zinc/70/06/44/967700644.db2.gz SVHIUERAJIEEGQ-UHFFFAOYSA-N 1 2 245.282 1.233 20 0 BDADLO COc1cc[nH+]cc1Cc1ncccn1 ZINC001250343706 967738418 /nfs/dbraw/zinc/73/84/18/967738418.db2.gz LRKXYDVHWCYXKL-UHFFFAOYSA-N 1 2 201.229 1.471 20 0 BDADLO Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001205799545 967822347 /nfs/dbraw/zinc/82/23/47/967822347.db2.gz AXZDOJLKAROOOB-QWRGUYRKSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001205799545 967822354 /nfs/dbraw/zinc/82/23/54/967822354.db2.gz AXZDOJLKAROOOB-QWRGUYRKSA-N 1 2 204.273 1.363 20 0 BDADLO OCCCC[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001205797025 967822405 /nfs/dbraw/zinc/82/24/05/967822405.db2.gz XRGAZBBJWOPMLV-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO OCCCC[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001205797025 967822413 /nfs/dbraw/zinc/82/24/13/967822413.db2.gz XRGAZBBJWOPMLV-VIFPVBQESA-N 1 2 225.254 1.828 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC(=O)[C@H](C)C2)n(C)n1 ZINC001205882932 967871644 /nfs/dbraw/zinc/87/16/44/967871644.db2.gz USASBMMTBQRTRB-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1cc(C[N@H+]2CCCC(=O)[C@H](C)C2)n(C)n1 ZINC001205882932 967871647 /nfs/dbraw/zinc/87/16/47/967871647.db2.gz USASBMMTBQRTRB-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2C)n(C)n1 ZINC001205883055 967871866 /nfs/dbraw/zinc/87/18/66/967871866.db2.gz YGXIUGBNCKNIMP-NXEZZACHSA-N 1 2 211.284 1.661 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2C)n(C)n1 ZINC001205883055 967871869 /nfs/dbraw/zinc/87/18/69/967871869.db2.gz YGXIUGBNCKNIMP-NXEZZACHSA-N 1 2 211.284 1.661 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C(C)C)n(C)n1 ZINC001205920134 967885139 /nfs/dbraw/zinc/88/51/39/967885139.db2.gz VITFOYLULNDVCN-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C(C)C)n(C)n1 ZINC001205920134 967885136 /nfs/dbraw/zinc/88/51/36/967885136.db2.gz VITFOYLULNDVCN-ZDUSSCGKSA-N 1 2 237.347 1.585 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001206068251 968034004 /nfs/dbraw/zinc/03/40/04/968034004.db2.gz RHKTXJBFIOFZJS-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001206068251 968033992 /nfs/dbraw/zinc/03/39/92/968033992.db2.gz RHKTXJBFIOFZJS-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO C[C@@H]1C[N@H+](Cc2sccc2C(=O)[O-])C[C@H]1[NH3+] ZINC001206065226 968036419 /nfs/dbraw/zinc/03/64/19/968036419.db2.gz QLOORFIDIDFWTH-VXNVDRBHSA-N 1 2 240.328 1.225 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2sccc2C(=O)[O-])C[C@H]1[NH3+] ZINC001206065226 968036430 /nfs/dbraw/zinc/03/64/30/968036430.db2.gz QLOORFIDIDFWTH-VXNVDRBHSA-N 1 2 240.328 1.225 20 0 BDADLO COC(=O)[C@@H](C)c1[nH]c2ccc(N(C)C)cc2[nH+]1 ZINC001250577676 968100925 /nfs/dbraw/zinc/10/09/25/968100925.db2.gz VMIMNLOKSABPER-QMMMGPOBSA-N 1 2 247.298 1.905 20 0 BDADLO COCCc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250595659 968128566 /nfs/dbraw/zinc/12/85/66/968128566.db2.gz OQSMTPKFZVCCDV-UHFFFAOYSA-N 1 2 218.256 1.687 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccco2)C1 ZINC001206222259 968149474 /nfs/dbraw/zinc/14/94/74/968149474.db2.gz NLJDSQJAARLJOO-VIFPVBQESA-N 1 2 234.221 1.745 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccco2)C1 ZINC001206222259 968149488 /nfs/dbraw/zinc/14/94/88/968149488.db2.gz NLJDSQJAARLJOO-VIFPVBQESA-N 1 2 234.221 1.745 20 0 BDADLO Cc1cc(Cl)c(C)c(N2C[C@@H](O)[C@@H](F)C2)[nH+]1 ZINC001164112753 968175582 /nfs/dbraw/zinc/17/55/82/968175582.db2.gz HXPMZEBQOTXZQT-VHSXEESVSA-N 1 2 244.697 1.871 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)c2ncnn21 ZINC001118628690 968191734 /nfs/dbraw/zinc/19/17/34/968191734.db2.gz NCELZWGTVCYQKI-KOLCDFICSA-N 1 2 229.287 1.469 20 0 BDADLO COc1cccc([C@H](O)CNc2cc[nH+]nc2)c1 ZINC001250700044 968196100 /nfs/dbraw/zinc/19/61/00/968196100.db2.gz PTSFRRUSLAGXCI-CYBMUJFWSA-N 1 2 245.282 1.631 20 0 BDADLO CCc1nc(N2CCC(=O)[C@@H](C)CC2)cc[nH+]1 ZINC001164369105 968225008 /nfs/dbraw/zinc/22/50/08/968225008.db2.gz URBKFZVDADKGTI-JTQLQIEISA-N 1 2 233.315 1.844 20 0 BDADLO COc1ncc(C[NH+]2CCC(C(C)=O)CC2)cn1 ZINC001206408777 968287789 /nfs/dbraw/zinc/28/77/89/968287789.db2.gz BLJCFIHNPMUXDW-UHFFFAOYSA-N 1 2 249.314 1.286 20 0 BDADLO COc1c[nH+]c(N[C@@H](C)CCO)c2[nH]ccc21 ZINC001165866384 968297867 /nfs/dbraw/zinc/29/78/67/968297867.db2.gz GOOLUMUWBNPDRV-QMMMGPOBSA-N 1 2 235.287 1.754 20 0 BDADLO CC[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001251763742 968317074 /nfs/dbraw/zinc/31/70/74/968317074.db2.gz HDOQQRZTMHJJFB-SNVBAGLBSA-N 1 2 205.261 1.517 20 0 BDADLO COCc1cc[nH+]c(N2CC[C@H](CO)C2)c1 ZINC001166553479 968326200 /nfs/dbraw/zinc/32/62/00/968326200.db2.gz UPJIAIGSTXMKCN-NSHDSACASA-N 1 2 222.288 1.047 20 0 BDADLO COc1ncccc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001206553682 968375901 /nfs/dbraw/zinc/37/59/01/968375901.db2.gz GKRMPWQKEGGASX-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1ncccc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001206553682 968375910 /nfs/dbraw/zinc/37/59/10/968375910.db2.gz GKRMPWQKEGGASX-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO OCCn1cc(-c2cccc3[nH+]ccn32)cn1 ZINC001206570705 968390492 /nfs/dbraw/zinc/39/04/92/968390492.db2.gz FOFCNHSRAOYGOU-UHFFFAOYSA-N 1 2 228.255 1.190 20 0 BDADLO Cc1c[nH+]c(N2CC3(CCO3)C2)nc1NC1CC1 ZINC001166939521 968395392 /nfs/dbraw/zinc/39/53/92/968395392.db2.gz BBUORYQWKNLRQJ-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO C[C@H](O)C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001251963108 968402015 /nfs/dbraw/zinc/40/20/15/968402015.db2.gz SFIXCUZUHZFUPN-QMMMGPOBSA-N 1 2 226.707 1.474 20 0 BDADLO C[C@H](O)C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001251963108 968402011 /nfs/dbraw/zinc/40/20/11/968402011.db2.gz SFIXCUZUHZFUPN-QMMMGPOBSA-N 1 2 226.707 1.474 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)O)C(=O)OC(C)(C)C ZINC001251971304 968410492 /nfs/dbraw/zinc/41/04/92/968410492.db2.gz AINUZVWOPQFQTM-IUCAKERBSA-N 1 2 217.309 1.077 20 0 BDADLO COc1cccnc1C[NH+]1CC2(CC(O)C2)C1 ZINC001206610535 968419783 /nfs/dbraw/zinc/41/97/83/968419783.db2.gz JXYZSXXVDCYJKE-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO Nc1ccccc1CN1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001206703826 968436144 /nfs/dbraw/zinc/43/61/44/968436144.db2.gz NHWRRSJJVCFXON-NSHDSACASA-N 1 2 241.285 1.437 20 0 BDADLO Fc1cnccc1C[NH+]1CC2(CSC2)C1 ZINC001206786206 968474309 /nfs/dbraw/zinc/47/43/09/968474309.db2.gz AVLBKPOREVZSNI-UHFFFAOYSA-N 1 2 224.304 1.770 20 0 BDADLO Cc1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)no1 ZINC001206819255 968488071 /nfs/dbraw/zinc/48/80/71/968488071.db2.gz AZLSDPKYAOODLA-JTQLQIEISA-N 1 2 239.294 1.211 20 0 BDADLO Cc1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)no1 ZINC001206819255 968488075 /nfs/dbraw/zinc/48/80/75/968488075.db2.gz AZLSDPKYAOODLA-JTQLQIEISA-N 1 2 239.294 1.211 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001206847607 968497551 /nfs/dbraw/zinc/49/75/51/968497551.db2.gz PAMRPAUPTUVJGA-VXGBXAGGSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001206847607 968497559 /nfs/dbraw/zinc/49/75/59/968497559.db2.gz PAMRPAUPTUVJGA-VXGBXAGGSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001206853598 968500656 /nfs/dbraw/zinc/50/06/56/968500656.db2.gz UTOUROGEFSWICE-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001206853598 968500661 /nfs/dbraw/zinc/50/06/61/968500661.db2.gz UTOUROGEFSWICE-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccnc(C[N@H+]2CCc3c(cnn3C)C2)c1 ZINC001206853932 968501117 /nfs/dbraw/zinc/50/11/17/968501117.db2.gz IYGPDKLWHDGLHG-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCc3c(cnn3C)C2)c1 ZINC001206853932 968501121 /nfs/dbraw/zinc/50/11/21/968501121.db2.gz IYGPDKLWHDGLHG-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164121540 968505936 /nfs/dbraw/zinc/50/59/36/968505936.db2.gz FWTFRURIJFNEFJ-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001206863527 968506157 /nfs/dbraw/zinc/50/61/57/968506157.db2.gz LRHPMEORBJLKKX-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001206863527 968506163 /nfs/dbraw/zinc/50/61/63/968506163.db2.gz LRHPMEORBJLKKX-VHSXEESVSA-N 1 2 244.335 1.604 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1F ZINC001206863590 968508725 /nfs/dbraw/zinc/50/87/25/968508725.db2.gz NLKKWQZIPSQVTO-DTWKUNHWSA-N 1 2 230.308 1.620 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1F ZINC001206863590 968508729 /nfs/dbraw/zinc/50/87/29/968508729.db2.gz NLKKWQZIPSQVTO-DTWKUNHWSA-N 1 2 230.308 1.620 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1ccncn1 ZINC001206992105 968528766 /nfs/dbraw/zinc/52/87/66/968528766.db2.gz QFWJYHGCHJQBDY-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1ccncn1 ZINC001206992105 968528770 /nfs/dbraw/zinc/52/87/70/968528770.db2.gz QFWJYHGCHJQBDY-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO O[C@H]1C[N@H+](Cc2ncccc2F)CC[C@H]1F ZINC001207026751 968560467 /nfs/dbraw/zinc/56/04/67/968560467.db2.gz OCZOSBIOXROLGG-KOLCDFICSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ncccc2F)CC[C@H]1F ZINC001207026751 968560473 /nfs/dbraw/zinc/56/04/73/968560473.db2.gz OCZOSBIOXROLGG-KOLCDFICSA-N 1 2 228.242 1.125 20 0 BDADLO C[N@H+](Cc1ncc2ccccn21)[C@H]1CCCOC1 ZINC001207056685 968585068 /nfs/dbraw/zinc/58/50/68/968585068.db2.gz UQQNQIVHHZUERR-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO C[N@@H+](Cc1ncc2ccccn21)[C@H]1CCCOC1 ZINC001207056685 968585074 /nfs/dbraw/zinc/58/50/74/968585074.db2.gz UQQNQIVHHZUERR-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO O=c1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)[nH]1 ZINC001207070454 968602270 /nfs/dbraw/zinc/60/22/70/968602270.db2.gz SALMQSCTDFZZMM-GFCCVEGCSA-N 1 2 234.299 1.398 20 0 BDADLO O=c1cccc(C[N@H+]2CCOC[C@@H]2C2CC2)[nH]1 ZINC001207070454 968602273 /nfs/dbraw/zinc/60/22/73/968602273.db2.gz SALMQSCTDFZZMM-GFCCVEGCSA-N 1 2 234.299 1.398 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001207070170 968602441 /nfs/dbraw/zinc/60/24/41/968602441.db2.gz IWYRIFKGUGDPSL-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1cccc(=O)[nH]1)C2 ZINC001207070170 968602448 /nfs/dbraw/zinc/60/24/48/968602448.db2.gz IWYRIFKGUGDPSL-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001207073989 968604050 /nfs/dbraw/zinc/60/40/50/968604050.db2.gz QIHLCMDADSUXCW-AAEUAGOBSA-N 1 2 234.299 1.541 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccc(=O)[nH]1)C2 ZINC001207073989 968604058 /nfs/dbraw/zinc/60/40/58/968604058.db2.gz QIHLCMDADSUXCW-AAEUAGOBSA-N 1 2 234.299 1.541 20 0 BDADLO C[N@@H+](Cc1cnccn1)Cc1cccc(=O)[nH]1 ZINC001207072343 968606779 /nfs/dbraw/zinc/60/67/79/968606779.db2.gz ZRVFJHGZOHRVOP-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@H+](Cc1cnccn1)Cc1cccc(=O)[nH]1 ZINC001207072343 968606784 /nfs/dbraw/zinc/60/67/84/968606784.db2.gz ZRVFJHGZOHRVOP-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO CCc1nccc(C[N@@H+]2CCCC23COC3)n1 ZINC001207086629 968619831 /nfs/dbraw/zinc/61/98/31/968619831.db2.gz QSVDCZLBQJLRFT-UHFFFAOYSA-N 1 2 233.315 1.404 20 0 BDADLO CCc1nccc(C[N@H+]2CCCC23COC3)n1 ZINC001207086629 968619837 /nfs/dbraw/zinc/61/98/37/968619837.db2.gz QSVDCZLBQJLRFT-UHFFFAOYSA-N 1 2 233.315 1.404 20 0 BDADLO CCn1cc(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001240648725 968619907 /nfs/dbraw/zinc/61/99/07/968619907.db2.gz CTTCUYMGMQSPMB-UHFFFAOYSA-N 1 2 227.271 1.800 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cc2F)C[C@H]1O ZINC001207092479 968624519 /nfs/dbraw/zinc/62/45/19/968624519.db2.gz CWMQNGIYYDHMJO-WRWORJQWSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cc2F)C[C@H]1O ZINC001207092479 968624526 /nfs/dbraw/zinc/62/45/26/968624526.db2.gz CWMQNGIYYDHMJO-WRWORJQWSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207092628 968624922 /nfs/dbraw/zinc/62/49/22/968624922.db2.gz GDBFPKSIWOPEES-NSHDSACASA-N 1 2 228.242 1.317 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207092628 968624927 /nfs/dbraw/zinc/62/49/27/968624927.db2.gz GDBFPKSIWOPEES-NSHDSACASA-N 1 2 228.242 1.317 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(F)cc2F)C[C@@H]1O ZINC001207092577 968625036 /nfs/dbraw/zinc/62/50/36/968625036.db2.gz FOTWMZFTZKHXMX-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(F)cc2F)C[C@@H]1O ZINC001207092577 968625041 /nfs/dbraw/zinc/62/50/41/968625041.db2.gz FOTWMZFTZKHXMX-PELKAZGASA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cc2F)C[C@@H]1O ZINC001207092478 968626287 /nfs/dbraw/zinc/62/62/87/968626287.db2.gz CWMQNGIYYDHMJO-CPCISQLKSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cc2F)C[C@@H]1O ZINC001207092478 968626292 /nfs/dbraw/zinc/62/62/92/968626292.db2.gz CWMQNGIYYDHMJO-CPCISQLKSA-N 1 2 228.242 1.172 20 0 BDADLO Cc1ncsc1C[NH2+][C@@H](C)c1nonc1C ZINC000825284807 968639328 /nfs/dbraw/zinc/63/93/28/968639328.db2.gz RLJAVIONKHNHDF-ZETCQYMHSA-N 1 2 238.316 1.994 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001207133515 968644502 /nfs/dbraw/zinc/64/45/02/968644502.db2.gz QHBXAGXTCQSNBM-QWRGUYRKSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001207133515 968644508 /nfs/dbraw/zinc/64/45/08/968644508.db2.gz QHBXAGXTCQSNBM-QWRGUYRKSA-N 1 2 242.294 1.444 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001207133486 968649364 /nfs/dbraw/zinc/64/93/64/968649364.db2.gz PFFFRZLCOYOUDF-NWDGAFQWSA-N 1 2 242.294 1.586 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001207146615 968655275 /nfs/dbraw/zinc/65/52/75/968655275.db2.gz ZABHLKXTNFDSQL-CYBMUJFWSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001207146615 968655280 /nfs/dbraw/zinc/65/52/80/968655280.db2.gz ZABHLKXTNFDSQL-CYBMUJFWSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1ccnc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001207146582 968655651 /nfs/dbraw/zinc/65/56/51/968655651.db2.gz XHTFPZHQRSAISC-WDEREUQCSA-N 1 2 221.304 1.124 20 0 BDADLO CCn1ccnc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001207146582 968655656 /nfs/dbraw/zinc/65/56/56/968655656.db2.gz XHTFPZHQRSAISC-WDEREUQCSA-N 1 2 221.304 1.124 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCCC(=O)CC1 ZINC001207148753 968659069 /nfs/dbraw/zinc/65/90/69/968659069.db2.gz YORPLBBJFPFZSZ-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1ncccc1C[N@H+]1CCCC(=O)CC1 ZINC001207148753 968659074 /nfs/dbraw/zinc/65/90/74/968659074.db2.gz YORPLBBJFPFZSZ-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1cncc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001207153940 968660959 /nfs/dbraw/zinc/66/09/59/968660959.db2.gz ITXVXEUUKAOXNB-STQMWFEESA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cncc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001207153940 968660984 /nfs/dbraw/zinc/66/09/84/968660984.db2.gz ITXVXEUUKAOXNB-STQMWFEESA-N 1 2 238.306 1.542 20 0 BDADLO Cc1nccc(C[N@@H+]2CCc3cccnc3C2)n1 ZINC001207168998 968676344 /nfs/dbraw/zinc/67/63/44/968676344.db2.gz PLWQLBARIBCJHC-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccc(C[N@H+]2CCc3cccnc3C2)n1 ZINC001207168998 968676350 /nfs/dbraw/zinc/67/63/50/968676350.db2.gz PLWQLBARIBCJHC-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1CCOCc1ccccc1 ZINC001207236325 968685733 /nfs/dbraw/zinc/68/57/33/968685733.db2.gz BDGOWDVBCZLBEL-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1CCOCc1ccccc1 ZINC001207236325 968685741 /nfs/dbraw/zinc/68/57/41/968685741.db2.gz BDGOWDVBCZLBEL-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO c1ccc(COCC[NH+]2CC3(CCO3)C2)cc1 ZINC001207236057 968688221 /nfs/dbraw/zinc/68/82/21/968688221.db2.gz WDFPMKLMRLEEBV-UHFFFAOYSA-N 1 2 233.311 1.678 20 0 BDADLO CSCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000736054669 968712704 /nfs/dbraw/zinc/71/27/04/968712704.db2.gz IIOIYONLRTZJBV-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001085447400 968716935 /nfs/dbraw/zinc/71/69/35/968716935.db2.gz AZLNBLNXTNWUTC-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001085447400 968716941 /nfs/dbraw/zinc/71/69/41/968716941.db2.gz AZLNBLNXTNWUTC-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(C)(CN1C[C@@H](F)[C@@H](F)C1)[NH+]1CCOCC1 ZINC001207297033 968724429 /nfs/dbraw/zinc/72/44/29/968724429.db2.gz LEOZQFNEFVZXHR-PHIMTYICSA-N 1 2 248.317 1.089 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001207416294 968755899 /nfs/dbraw/zinc/75/58/99/968755899.db2.gz BDCCBTLPYJVYGX-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001207416294 968755904 /nfs/dbraw/zinc/75/59/04/968755904.db2.gz BDCCBTLPYJVYGX-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO CCCOC1CC[NH+](CC(=O)OCC)CC1 ZINC001207415931 968758295 /nfs/dbraw/zinc/75/82/95/968758295.db2.gz IYXSWBJOVRGXDQ-UHFFFAOYSA-N 1 2 229.320 1.441 20 0 BDADLO COc1cccc(CC[N@@H+]2CCN(C)C(=O)C2)c1 ZINC001207425279 968764375 /nfs/dbraw/zinc/76/43/75/968764375.db2.gz JPOJINHXLVEUAQ-UHFFFAOYSA-N 1 2 248.326 1.012 20 0 BDADLO COc1cccc(CC[N@H+]2CCN(C)C(=O)C2)c1 ZINC001207425279 968764385 /nfs/dbraw/zinc/76/43/85/968764385.db2.gz JPOJINHXLVEUAQ-UHFFFAOYSA-N 1 2 248.326 1.012 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H]1CCNC(=O)C1 ZINC001154935100 968785966 /nfs/dbraw/zinc/78/59/66/968785966.db2.gz LLRNGGBGKORDFT-SECBINFHSA-N 1 2 235.287 1.028 20 0 BDADLO CC(C)OC[C@@H](O)CNc1cccc[nH+]1 ZINC001252665848 968898388 /nfs/dbraw/zinc/89/83/88/968898388.db2.gz YGPHPUVBRJVINZ-JTQLQIEISA-N 1 2 210.277 1.279 20 0 BDADLO COc1cc[nH+]cc1NC[C@@H](O)COC(C)C ZINC001252666971 968902827 /nfs/dbraw/zinc/90/28/27/968902827.db2.gz IRSYINBENNJVOJ-SNVBAGLBSA-N 1 2 240.303 1.288 20 0 BDADLO COc1ncnc2c1CC[N@H+](C[C@@H]1CCCO1)C2 ZINC001207860651 968902783 /nfs/dbraw/zinc/90/27/83/968902783.db2.gz FAIRWSFKVZUBEX-JTQLQIEISA-N 1 2 249.314 1.022 20 0 BDADLO COc1ncnc2c1CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC001207860651 968902792 /nfs/dbraw/zinc/90/27/92/968902792.db2.gz FAIRWSFKVZUBEX-JTQLQIEISA-N 1 2 249.314 1.022 20 0 BDADLO c1cc([C@H]2C[N@H+](C[C@@H]3CCCO3)CCO2)ccn1 ZINC001207887295 968912642 /nfs/dbraw/zinc/91/26/42/968912642.db2.gz FRAHZGWJQPEJQO-UONOGXRCSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@H]2C[N@@H+](C[C@@H]3CCCO3)CCO2)ccn1 ZINC001207887295 968912648 /nfs/dbraw/zinc/91/26/48/968912648.db2.gz FRAHZGWJQPEJQO-UONOGXRCSA-N 1 2 248.326 1.634 20 0 BDADLO Cc1noc(CO[NH+]=C(N)c2ccccc2C)n1 ZINC000742348346 968948592 /nfs/dbraw/zinc/94/85/92/968948592.db2.gz BWXNBNSZRJOGTC-UHFFFAOYSA-N 1 2 246.270 1.733 20 0 BDADLO c1cncc(OC2C[NH+](C[C@H]3CCCCO3)C2)c1 ZINC001207957362 968955953 /nfs/dbraw/zinc/95/59/53/968955953.db2.gz FWKPSLRQHKDBHO-CYBMUJFWSA-N 1 2 248.326 1.714 20 0 BDADLO Cc1ccc([C@H](C)CC[N@@H+]2CCNC(=O)C2)o1 ZINC001208153197 969080517 /nfs/dbraw/zinc/08/05/17/969080517.db2.gz YHKDUYYZTVWHEI-SNVBAGLBSA-N 1 2 236.315 1.513 20 0 BDADLO Cc1ccc([C@H](C)CC[N@H+]2CCNC(=O)C2)o1 ZINC001208153197 969080523 /nfs/dbraw/zinc/08/05/23/969080523.db2.gz YHKDUYYZTVWHEI-SNVBAGLBSA-N 1 2 236.315 1.513 20 0 BDADLO CCS(=O)(=O)Nc1ccn2cc[nH+]c2c1 ZINC001253290729 969131079 /nfs/dbraw/zinc/13/10/79/969131079.db2.gz SBSRHECVNSSTDZ-UHFFFAOYSA-N 1 2 225.273 1.096 20 0 BDADLO CCc1cc(N2CCCC[C@H]2CO)nc(C)[nH+]1 ZINC000088760725 969131210 /nfs/dbraw/zinc/13/12/10/969131210.db2.gz OBGYLROQYMAVQM-LBPRGKRZSA-N 1 2 235.331 1.699 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccncc2)c2ncnn21 ZINC001329548545 969176927 /nfs/dbraw/zinc/17/69/27/969176927.db2.gz MQWKVMRRFNSKEF-KOLCDFICSA-N 1 2 229.287 1.469 20 0 BDADLO COC(=O)C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000712328275 969182026 /nfs/dbraw/zinc/18/20/26/969182026.db2.gz GOVWVECDOLJZPU-MRVPVSSYSA-N 1 2 225.313 1.840 20 0 BDADLO COC(=O)C[N@H+]1CCc2ccsc2[C@H]1C ZINC000712328275 969182030 /nfs/dbraw/zinc/18/20/30/969182030.db2.gz GOVWVECDOLJZPU-MRVPVSSYSA-N 1 2 225.313 1.840 20 0 BDADLO CCCCC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OC ZINC001253546882 969216567 /nfs/dbraw/zinc/21/65/67/969216567.db2.gz BOTPEPGUXQAYHV-MNOVXSKESA-N 1 2 231.336 1.469 20 0 BDADLO CCCCC[C@H](O)C[NH2+][C@H](CC)C(=O)OC ZINC001253546884 969218302 /nfs/dbraw/zinc/21/83/02/969218302.db2.gz BOTPEPGUXQAYHV-WDEREUQCSA-N 1 2 231.336 1.469 20 0 BDADLO N#CN1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208742160 969230633 /nfs/dbraw/zinc/23/06/33/969230633.db2.gz KPMLKYRFRSXINY-UHFFFAOYSA-N 1 2 249.745 1.981 20 0 BDADLO O=C1C[N@H+](CCCc2ccc(F)cc2)CCN1 ZINC001208768468 969231808 /nfs/dbraw/zinc/23/18/08/969231808.db2.gz QLTUVSJWGUBERJ-UHFFFAOYSA-N 1 2 236.290 1.190 20 0 BDADLO O=C1C[N@@H+](CCCc2ccc(F)cc2)CCN1 ZINC001208768468 969231814 /nfs/dbraw/zinc/23/18/14/969231814.db2.gz QLTUVSJWGUBERJ-UHFFFAOYSA-N 1 2 236.290 1.190 20 0 BDADLO CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccns1 ZINC001276590553 969251218 /nfs/dbraw/zinc/25/12/18/969251218.db2.gz IULSKYDJWWLPEH-QWRGUYRKSA-N 1 2 223.345 1.422 20 0 BDADLO CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccns1 ZINC001276590553 969251227 /nfs/dbraw/zinc/25/12/27/969251227.db2.gz IULSKYDJWWLPEH-QWRGUYRKSA-N 1 2 223.345 1.422 20 0 BDADLO NC(=O)CCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001168962724 969315113 /nfs/dbraw/zinc/31/51/13/969315113.db2.gz IUYOVIVPLKNJAY-UHFFFAOYSA-N 1 2 248.261 1.299 20 0 BDADLO COCc1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC000349815958 969321568 /nfs/dbraw/zinc/32/15/68/969321568.db2.gz HCRPZULKXPFIHM-SSDOTTSWSA-N 1 2 208.221 1.022 20 0 BDADLO CCOC(C)(C)C[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001209066800 969342829 /nfs/dbraw/zinc/34/28/29/969342829.db2.gz NKCUFZHBNDMKKF-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO CCOC(C)(C)C[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001209066800 969342835 /nfs/dbraw/zinc/34/28/35/969342835.db2.gz NKCUFZHBNDMKKF-SNVBAGLBSA-N 1 2 231.311 1.805 20 0 BDADLO c1cc(CC[NH+]2CC3(CCO3)C2)cc2c1OCC2 ZINC001209146658 969356641 /nfs/dbraw/zinc/35/66/41/969356641.db2.gz NXRKCROTCUBUHX-UHFFFAOYSA-N 1 2 245.322 1.639 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2cn[nH]c2c1 ZINC000090166300 969369361 /nfs/dbraw/zinc/36/93/61/969369361.db2.gz VCOPCXJKDDXNAT-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO Fc1ccc(CC[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1F ZINC001209244484 969413887 /nfs/dbraw/zinc/41/38/87/969413887.db2.gz XZADJUTXIPZNLA-PHIMTYICSA-N 1 2 239.265 1.980 20 0 BDADLO Fc1ccc(CC[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1F ZINC001209244484 969413892 /nfs/dbraw/zinc/41/38/92/969413892.db2.gz XZADJUTXIPZNLA-PHIMTYICSA-N 1 2 239.265 1.980 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C)ccc2C)C[NH2+]1 ZINC001169129701 969439984 /nfs/dbraw/zinc/43/99/84/969439984.db2.gz DWLGHFNHNXUBIL-YPMHNXCESA-N 1 2 248.326 1.619 20 0 BDADLO c1cn(CCc2nnc(C3CC3)o2)c[nH+]1 ZINC001254064417 969459903 /nfs/dbraw/zinc/45/99/03/969459903.db2.gz LKDOCYAMFMOWRX-UHFFFAOYSA-N 1 2 204.233 1.386 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)C[C@H](C)O1 ZINC001209403242 969472182 /nfs/dbraw/zinc/47/21/82/969472182.db2.gz NFRJWZRKHGZBRV-OSUNSFLBSA-N 1 2 239.315 1.190 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)C[C@H](C)O1 ZINC001209403242 969472196 /nfs/dbraw/zinc/47/21/96/969472196.db2.gz NFRJWZRKHGZBRV-OSUNSFLBSA-N 1 2 239.315 1.190 20 0 BDADLO CCCc1ccn(Cc2c[nH+]cn2C)n1 ZINC001254109431 969502250 /nfs/dbraw/zinc/50/22/50/969502250.db2.gz HEDCLOJYQFTNAB-UHFFFAOYSA-N 1 2 204.277 1.617 20 0 BDADLO C[NH+](C)Cc1cn(C[C@H](O)c2ccccc2)nn1 ZINC001254119385 969506760 /nfs/dbraw/zinc/50/67/60/969506760.db2.gz RGCDDZIJZANBQC-ZDUSSCGKSA-N 1 2 246.314 1.073 20 0 BDADLO C[NH+](C)Cc1cn([C@@H]2CCCCC[C@H]2O)nn1 ZINC001254130060 969518977 /nfs/dbraw/zinc/51/89/77/969518977.db2.gz UXZMFTCUYVMSPX-VXGBXAGGSA-N 1 2 238.335 1.206 20 0 BDADLO CC[N@H+](Cc1cc2c(cn1)OCCC2)C1COC1 ZINC001209508287 969529386 /nfs/dbraw/zinc/52/93/86/969529386.db2.gz JMRBSWWLOWNWQO-UHFFFAOYSA-N 1 2 248.326 1.627 20 0 BDADLO CC[N@@H+](Cc1cc2c(cn1)OCCC2)C1COC1 ZINC001209508287 969529392 /nfs/dbraw/zinc/52/93/92/969529392.db2.gz JMRBSWWLOWNWQO-UHFFFAOYSA-N 1 2 248.326 1.627 20 0 BDADLO COC1(C)C[NH+](Cc2c3ccccc3nn2C)C1 ZINC001209535036 969534347 /nfs/dbraw/zinc/53/43/47/969534347.db2.gz QZAOIWBPZSMJND-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@](C)(CF)C1 ZINC001209554435 969537548 /nfs/dbraw/zinc/53/75/48/969537548.db2.gz HZRBJKIWNLVOJB-LLVKDONJSA-N 1 2 211.284 1.900 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@](C)(CF)C1 ZINC001209554435 969537552 /nfs/dbraw/zinc/53/75/52/969537552.db2.gz HZRBJKIWNLVOJB-LLVKDONJSA-N 1 2 211.284 1.900 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1nnc(C)n1C ZINC001254314313 969554026 /nfs/dbraw/zinc/55/40/26/969554026.db2.gz TWDFUAAMPXSUBC-ZETCQYMHSA-N 1 2 234.307 1.006 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)[nH]2)C[C@H]1C ZINC001209579834 969561329 /nfs/dbraw/zinc/56/13/29/969561329.db2.gz XZNIKPCCXKZKRC-LLVKDONJSA-N 1 2 235.331 1.376 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)[nH]2)C[C@H]1C ZINC001209579834 969561336 /nfs/dbraw/zinc/56/13/36/969561336.db2.gz XZNIKPCCXKZKRC-LLVKDONJSA-N 1 2 235.331 1.376 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)[nH]1 ZINC001209576086 969562607 /nfs/dbraw/zinc/56/26/07/969562607.db2.gz RAYKAHJLWMJFIC-UHFFFAOYSA-N 1 2 247.342 1.568 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)[nH]1 ZINC001209576086 969562614 /nfs/dbraw/zinc/56/26/14/969562614.db2.gz RAYKAHJLWMJFIC-UHFFFAOYSA-N 1 2 247.342 1.568 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(C)[nH]1 ZINC001209578089 969562966 /nfs/dbraw/zinc/56/29/66/969562966.db2.gz HFEVFQJNKDYKFY-LBPRGKRZSA-N 1 2 238.331 1.953 20 0 BDADLO F[C@H]1C[N@@H+]([C@H]2CCCOC2)CCC1(F)F ZINC001254377338 969597392 /nfs/dbraw/zinc/59/73/92/969597392.db2.gz FSUPMIHFHWZGRG-IUCAKERBSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@H]1C[N@H+]([C@H]2CCCOC2)CCC1(F)F ZINC001254377338 969597402 /nfs/dbraw/zinc/59/74/02/969597402.db2.gz FSUPMIHFHWZGRG-IUCAKERBSA-N 1 2 223.238 1.845 20 0 BDADLO c1cnc(C[N@@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC001209784873 969615114 /nfs/dbraw/zinc/61/51/14/969615114.db2.gz FLNIEYUMJNKWDZ-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnc(C[N@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC001209784873 969615128 /nfs/dbraw/zinc/61/51/28/969615128.db2.gz FLNIEYUMJNKWDZ-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO CC(C)OC(=O)C[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254921914 969821955 /nfs/dbraw/zinc/82/19/55/969821955.db2.gz IPCBQQGTRYZXIF-NXEZZACHSA-N 1 2 239.315 1.285 20 0 BDADLO CCCOC(=O)C[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254939423 969830837 /nfs/dbraw/zinc/83/08/37/969830837.db2.gz GPAFMWWZPFZWSN-URLYPYJESA-N 1 2 239.315 1.287 20 0 BDADLO CO[C@@H](C)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001169773798 969847078 /nfs/dbraw/zinc/84/70/78/969847078.db2.gz YTKKBMQRZQPXEY-NSHDSACASA-N 1 2 246.314 1.773 20 0 BDADLO COC(=O)Cc1ccc(NC[C@H](C)OC)[nH+]c1 ZINC001169773372 969848121 /nfs/dbraw/zinc/84/81/21/969848121.db2.gz XXTUHYYPLALVHT-VIFPVBQESA-N 1 2 238.287 1.244 20 0 BDADLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)nn1C ZINC001210285310 969852760 /nfs/dbraw/zinc/85/27/60/969852760.db2.gz OLSLOXIUPIZCNQ-UHFFFAOYSA-N 1 2 217.276 1.758 20 0 BDADLO Cc1[nH+]cc(-n2cc(N)c3ncccc32)cc1N ZINC001210287332 969855010 /nfs/dbraw/zinc/85/50/10/969855010.db2.gz REUOEDROSRJADV-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO O=C(C[NH2+]C1CCOCC1)OCc1ccccc1 ZINC001255032021 969856275 /nfs/dbraw/zinc/85/62/75/969856275.db2.gz ALNJQDLJJWEOQL-UHFFFAOYSA-N 1 2 249.310 1.498 20 0 BDADLO O=C1CCC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001169955822 969890441 /nfs/dbraw/zinc/89/04/41/969890441.db2.gz LDEAKTDWYSTLPM-LLVKDONJSA-N 1 2 239.315 1.337 20 0 BDADLO O=C1CCC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001169955822 969890444 /nfs/dbraw/zinc/89/04/44/969890444.db2.gz LDEAKTDWYSTLPM-LLVKDONJSA-N 1 2 239.315 1.337 20 0 BDADLO C[C@H](CCO)Nc1ccc(Cl)c(N)[nH+]1 ZINC001156456203 969897705 /nfs/dbraw/zinc/89/77/05/969897705.db2.gz WMYPSGJFFTZYKO-ZCFIWIBFSA-N 1 2 215.684 1.500 20 0 BDADLO CN1CC[C@H](Nc2cc3ccccc3c[nH+]2)C1=O ZINC001156503243 969906554 /nfs/dbraw/zinc/90/65/54/969906554.db2.gz VMBLYJBEJMTMQX-LBPRGKRZSA-N 1 2 241.294 1.877 20 0 BDADLO CC(C)[C@H]1C[N@H+](CCOC(=O)N(C)C)CCO1 ZINC001255103588 969937341 /nfs/dbraw/zinc/93/73/41/969937341.db2.gz KZHAMKXEQJXKJV-LLVKDONJSA-N 1 2 244.335 1.041 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CCOC(=O)N(C)C)CCO1 ZINC001255103588 969937344 /nfs/dbraw/zinc/93/73/44/969937344.db2.gz KZHAMKXEQJXKJV-LLVKDONJSA-N 1 2 244.335 1.041 20 0 BDADLO CCC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109351563 969966471 /nfs/dbraw/zinc/96/64/71/969966471.db2.gz NTMDXMWMIIQXBY-UHFFFAOYSA-N 1 2 236.319 1.455 20 0 BDADLO c1cn(CCc2nnc(C3CCC3)o2)c[nH+]1 ZINC001255182725 969994885 /nfs/dbraw/zinc/99/48/85/969994885.db2.gz RUTWKBFFBKJFEY-UHFFFAOYSA-N 1 2 218.260 1.776 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCSC2)CCCC1 ZINC001255269885 970019327 /nfs/dbraw/zinc/01/93/27/970019327.db2.gz QOLBVHBNUKDZEH-VIFPVBQESA-N 1 2 229.345 1.567 20 0 BDADLO CCOC(=O)Cc1ccc(NC=[NH2+])nc1 ZINC001157077279 970075366 /nfs/dbraw/zinc/07/53/66/970075366.db2.gz ABEAJDYLQCZKRP-UHFFFAOYSA-N 1 2 207.233 1.206 20 0 BDADLO COc1ccc2[nH+]c(N(C)CCO)cc(C)c2c1 ZINC001157385633 970225314 /nfs/dbraw/zinc/22/53/14/970225314.db2.gz IGXAVOIZAHRJTN-UHFFFAOYSA-N 1 2 246.310 1.980 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000091810590 970267456 /nfs/dbraw/zinc/26/74/56/970267456.db2.gz XIAIACZJHKLXEQ-SNVBAGLBSA-N 1 2 237.347 1.928 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000091810590 970267461 /nfs/dbraw/zinc/26/74/61/970267461.db2.gz XIAIACZJHKLXEQ-SNVBAGLBSA-N 1 2 237.347 1.928 20 0 BDADLO c1[nH]cc(CCc2nnc([C@H]3CCOC3)o2)[nH+]1 ZINC001255531956 970295906 /nfs/dbraw/zinc/29/59/06/970295906.db2.gz XSYVOKKALHVIFM-QMMMGPOBSA-N 1 2 234.259 1.082 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C)C1)[C@@H](C)O ZINC001170104305 970299524 /nfs/dbraw/zinc/29/95/24/970299524.db2.gz LMELXJNDLCMSPR-ZDCRXTMVSA-N 1 2 229.320 1.077 20 0 BDADLO COC(C)(C)[C@@H](C)[NH2+]CC(=O)OC(C)(C)C ZINC000301029353 970310013 /nfs/dbraw/zinc/31/00/13/970310013.db2.gz UDKWGDXTZXKTGT-SECBINFHSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@H](c1nnc([C@H]2CCOC2)o1)n1cc[nH+]c1 ZINC001255539283 970314539 /nfs/dbraw/zinc/31/45/39/970314539.db2.gz DYHNUVMXYCEAKV-BDAKNGLRSA-N 1 2 234.259 1.379 20 0 BDADLO COC[C@H](C)[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001255568476 970361358 /nfs/dbraw/zinc/36/13/58/970361358.db2.gz VOULWLNMSZTPQR-VIFPVBQESA-N 1 2 244.335 1.230 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1[C@@H](C)CC(F)(F)F ZINC001255661323 970443441 /nfs/dbraw/zinc/44/34/41/970443441.db2.gz BUXWOTLTTIYWOF-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H]1COCC[N@H+]1[C@@H](C)CC(F)(F)F ZINC001255661323 970443452 /nfs/dbraw/zinc/44/34/52/970443452.db2.gz BUXWOTLTTIYWOF-DTWKUNHWSA-N 1 2 241.253 1.675 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C1CCCCCC1)[C@@H](C)O ZINC001255883643 970542439 /nfs/dbraw/zinc/54/24/39/970542439.db2.gz FPGRRSZWYZHWCO-ZYHUDNBSSA-N 1 2 243.347 1.611 20 0 BDADLO C1=CC=C([NH2+]C2CC[NH+](C3CC3)CC2)[CH]1 ZINC001256070976 970636330 /nfs/dbraw/zinc/63/63/30/970636330.db2.gz KAYKHUJKXPUHKW-UHFFFAOYSA-N 1 2 203.309 1.861 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC ZINC000401849549 970737974 /nfs/dbraw/zinc/73/79/74/970737974.db2.gz VZMJXNGFHDVDNP-ZDCRXTMVSA-N 1 2 229.320 1.341 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cccc(O)c1C ZINC001144107126 972602478 /nfs/dbraw/zinc/60/24/78/972602478.db2.gz HGWDRMRJEQXDNO-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cccc(O)c1C ZINC001144107126 972602480 /nfs/dbraw/zinc/60/24/80/972602480.db2.gz HGWDRMRJEQXDNO-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO Cc1nc(CN2CCn3c[nH+]cc3C2)c(C)s1 ZINC001327526729 972614389 /nfs/dbraw/zinc/61/43/89/972614389.db2.gz XOMHHUHHRSRMAU-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC001144168772 972661507 /nfs/dbraw/zinc/66/15/07/972661507.db2.gz KFJCVMUAFIEXRX-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC001144168772 972661522 /nfs/dbraw/zinc/66/15/22/972661522.db2.gz KFJCVMUAFIEXRX-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[NH+]1CC(OCc2cc(-c3ccco3)on2)C1 ZINC001222712904 972665184 /nfs/dbraw/zinc/66/51/84/972665184.db2.gz UIJVPZOHVLLUBM-UHFFFAOYSA-N 1 2 234.255 1.765 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001276834301 972668861 /nfs/dbraw/zinc/66/88/61/972668861.db2.gz KJTABJLIWSANPR-QWRGUYRKSA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001276834301 972668865 /nfs/dbraw/zinc/66/88/65/972668865.db2.gz KJTABJLIWSANPR-QWRGUYRKSA-N 1 2 230.327 1.583 20 0 BDADLO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)nc1 ZINC001144255407 972726125 /nfs/dbraw/zinc/72/61/25/972726125.db2.gz DCWZZZOTLDQSHX-UWJYBYFXSA-N 1 2 222.263 1.577 20 0 BDADLO Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)nc1 ZINC001144255407 972726134 /nfs/dbraw/zinc/72/61/34/972726134.db2.gz DCWZZZOTLDQSHX-UWJYBYFXSA-N 1 2 222.263 1.577 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001327790941 972734925 /nfs/dbraw/zinc/73/49/25/972734925.db2.gz FJUPDQKTXYJJKO-KWQFWETISA-N 1 2 246.318 1.116 20 0 BDADLO COc1ccc(C[NH+]2CC3(CC(O)C3)C2)nc1 ZINC001144420111 972813862 /nfs/dbraw/zinc/81/38/62/972813862.db2.gz WOKVXTICHOEBAO-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO C[C@H](CC(=O)OC1CCC1)n1cc[nH+]c1 ZINC000845476669 972825608 /nfs/dbraw/zinc/82/56/08/972825608.db2.gz HSVBGMFDASZYNE-SECBINFHSA-N 1 2 208.261 1.930 20 0 BDADLO CC/C=C/CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328064815 972861556 /nfs/dbraw/zinc/86/15/56/972861556.db2.gz LAVFFMUSSSQXCR-ORAHPGNNSA-N 1 2 207.277 1.527 20 0 BDADLO O[C@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144611406 972886770 /nfs/dbraw/zinc/88/67/70/972886770.db2.gz NCIJYINOVWAHOG-NSHDSACASA-N 1 2 231.299 1.291 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)c(O)cc2F)C[C@H]1O ZINC001144647184 972907376 /nfs/dbraw/zinc/90/73/76/972907376.db2.gz BWMUJWIAJGNEPL-JVXZTZIISA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)c(O)cc2F)C[C@H]1O ZINC001144647184 972907394 /nfs/dbraw/zinc/90/73/94/972907394.db2.gz BWMUJWIAJGNEPL-JVXZTZIISA-N 1 2 243.253 1.483 20 0 BDADLO CC[NH+]1CC(O[C@@H]2OC(=O)c3ccccc32)C1 ZINC001223323643 972955418 /nfs/dbraw/zinc/95/54/18/972955418.db2.gz YEUZKDORQNEBNY-CYBMUJFWSA-N 1 2 233.267 1.576 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001328355338 972990172 /nfs/dbraw/zinc/99/01/72/972990172.db2.gz ICJLTRHZOBUASR-OPRDCNLKSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328393045 973015593 /nfs/dbraw/zinc/01/55/93/973015593.db2.gz ZUVUTWOWYMKBBZ-AYMMMOKOSA-N 1 2 241.241 1.043 20 0 BDADLO CCc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)n(C)n1 ZINC001328474240 973084114 /nfs/dbraw/zinc/08/41/14/973084114.db2.gz ILLJSSLHDXHSMR-VIFPVBQESA-N 1 2 247.302 1.379 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCOCC1 ZINC001328658181 973239605 /nfs/dbraw/zinc/23/96/05/973239605.db2.gz XFRVYYVYKLPQNJ-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO CCN(C(=O)c1cc(C2CC2)on1)C1C[NH+](C)C1 ZINC001146923027 973337298 /nfs/dbraw/zinc/33/72/98/973337298.db2.gz MYBVFWMMOWGZCN-UHFFFAOYSA-N 1 2 249.314 1.328 20 0 BDADLO O=C(c1ccco1)N1CCc2[nH+]ccn2CC1 ZINC001147085452 973399966 /nfs/dbraw/zinc/39/99/66/973399966.db2.gz PJRQXJRSWRJNLX-UHFFFAOYSA-N 1 2 231.255 1.175 20 0 BDADLO CCn1nc(C)c(NC(=O)Cc2[nH]cc[nH+]2)c1C ZINC001328995375 973419242 /nfs/dbraw/zinc/41/92/42/973419242.db2.gz BQMWRMVIUOWWRS-UHFFFAOYSA-N 1 2 247.302 1.424 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H]1C(F)F ZINC001329104980 973481431 /nfs/dbraw/zinc/48/14/31/973481431.db2.gz KGRKSPQDHUXRDE-BIIVOSGPSA-N 1 2 241.241 1.345 20 0 BDADLO CC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329319508 973673196 /nfs/dbraw/zinc/67/31/96/973673196.db2.gz DIDZPXULXHOHPQ-ZYHUDNBSSA-N 1 2 249.314 1.414 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NCC(C)(C)SC ZINC001148197914 973805212 /nfs/dbraw/zinc/80/52/12/973805212.db2.gz CGQTUGJZOMQYHU-SECBINFHSA-N 1 2 230.377 1.338 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NCC(C)(C)SC ZINC001148197914 973805218 /nfs/dbraw/zinc/80/52/18/973805218.db2.gz CGQTUGJZOMQYHU-SECBINFHSA-N 1 2 230.377 1.338 20 0 BDADLO C[C@@H](C(=O)NCc1ccnc(F)c1)n1cc[nH+]c1 ZINC001329601109 973848409 /nfs/dbraw/zinc/84/84/09/973848409.db2.gz GZHGODLJQCRFPG-VIFPVBQESA-N 1 2 248.261 1.295 20 0 BDADLO CN(C)c1cc(NCC2CCOCC2)[nH+]cn1 ZINC000585415097 973910881 /nfs/dbraw/zinc/91/08/81/973910881.db2.gz KYNVFGWXJIPHGN-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NCC2CCOCC2)nc[nH+]1 ZINC000585415097 973910902 /nfs/dbraw/zinc/91/09/02/973910902.db2.gz KYNVFGWXJIPHGN-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO Cn1nc(C[N@H+](C)C2(CO)CC2)cc1Cl ZINC001329812978 973951242 /nfs/dbraw/zinc/95/12/42/973951242.db2.gz CWQUQTCIKVKAKH-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1nc(C[N@@H+](C)C2(CO)CC2)cc1Cl ZINC001329812978 973951264 /nfs/dbraw/zinc/95/12/64/973951264.db2.gz CWQUQTCIKVKAKH-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccns1 ZINC001329948630 974044619 /nfs/dbraw/zinc/04/46/19/974044619.db2.gz WANGKYXOFBWKPD-YUMQZZPRSA-N 1 2 237.332 1.683 20 0 BDADLO Cc1nc(NCCNC(=O)[C@@H]2CC23CC3)cc[nH+]1 ZINC001094146883 974049767 /nfs/dbraw/zinc/04/97/67/974049767.db2.gz IFYYTLWCMNMWLM-JTQLQIEISA-N 1 2 246.314 1.113 20 0 BDADLO OCC(F)(F)C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171780517 974173118 /nfs/dbraw/zinc/17/31/18/974173118.db2.gz LWJISEXEMGZOPT-SECBINFHSA-N 1 2 245.244 1.510 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171807249 974202672 /nfs/dbraw/zinc/20/26/72/974202672.db2.gz SQVNBCBYKSQSML-KOLCDFICSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171807249 974202683 /nfs/dbraw/zinc/20/26/83/974202683.db2.gz SQVNBCBYKSQSML-KOLCDFICSA-N 1 2 248.301 1.113 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1ccccc1F ZINC001225201453 974224190 /nfs/dbraw/zinc/22/41/90/974224190.db2.gz OCFIVKQXGXGQOA-LLVKDONJSA-N 1 2 239.290 1.925 20 0 BDADLO C[C@@H](C(=O)NC/C=C\C1CC1)n1cc[nH+]c1 ZINC001330461307 974270073 /nfs/dbraw/zinc/27/00/73/974270073.db2.gz LWESQNOMQOACOW-ZMWSMAPVSA-N 1 2 219.288 1.527 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc[nH]n2)[C@@H]2CCCC[C@@H]21 ZINC001330558651 974311494 /nfs/dbraw/zinc/31/14/94/974311494.db2.gz HGAGYRNHCXZXBE-GMTAPVOTSA-N 1 2 220.320 1.815 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc[nH]n2)[C@@H]2CCCC[C@@H]21 ZINC001330558651 974311500 /nfs/dbraw/zinc/31/15/00/974311500.db2.gz HGAGYRNHCXZXBE-GMTAPVOTSA-N 1 2 220.320 1.815 20 0 BDADLO COc1cc(C)ccc1OC1C[NH+](C)C1 ZINC001225261461 974321433 /nfs/dbraw/zinc/32/14/33/974321433.db2.gz QCIQEPIFKABACI-UHFFFAOYSA-N 1 2 207.273 1.696 20 0 BDADLO CCOC(=O)[C@@H](CC)Oc1cc[nH+]cc1 ZINC001225296237 974374797 /nfs/dbraw/zinc/37/47/97/974374797.db2.gz RYQCXWUIHLZEQZ-SNVBAGLBSA-N 1 2 209.245 1.802 20 0 BDADLO O=C1CC[C@H]2C[C@@H]([NH+]3C[C@@H](F)[C@H](F)C3)CCN12 ZINC001172161427 974424198 /nfs/dbraw/zinc/42/41/98/974424198.db2.gz HNHNPILCGUJODP-UKKRHICBSA-N 1 2 244.285 1.132 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1C=CCCC1 ZINC001330757844 974453793 /nfs/dbraw/zinc/45/37/93/974453793.db2.gz HNCDZPQAMDJJTQ-WDEREUQCSA-N 1 2 246.314 1.216 20 0 BDADLO C[C@H](C(=O)N[C@H]1COC2(CCC2)C1)n1cc[nH+]c1 ZINC001330801744 974479788 /nfs/dbraw/zinc/47/97/88/974479788.db2.gz BMIFMCRQMXDNLY-GHMZBOCLSA-N 1 2 249.314 1.272 20 0 BDADLO Cc1cncc(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001225479922 974517648 /nfs/dbraw/zinc/51/76/48/974517648.db2.gz FCEQCJJRVJBOFF-GFCCVEGCSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1cncc(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001225479922 974517651 /nfs/dbraw/zinc/51/76/51/974517651.db2.gz FCEQCJJRVJBOFF-GFCCVEGCSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1noc(C2([NH2+][C@H]3COC(C)(C)C3)CC2)n1 ZINC001172280808 974540153 /nfs/dbraw/zinc/54/01/53/974540153.db2.gz ZFXHARNGOSYHIE-SECBINFHSA-N 1 2 237.303 1.524 20 0 BDADLO CC1(C)C[C@@H](N2CC[NH2+]CC(F)(F)C2)CO1 ZINC001172282858 974543848 /nfs/dbraw/zinc/54/38/48/974543848.db2.gz FXFAVHCGYZMCDF-SECBINFHSA-N 1 2 234.290 1.094 20 0 BDADLO Cc1cnc(N2CCn3c[nH+]cc3C2)o1 ZINC001331164919 974630845 /nfs/dbraw/zinc/63/08/45/974630845.db2.gz BULMTHZRSNFRGD-UHFFFAOYSA-N 1 2 204.233 1.200 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(CF)CCC1 ZINC001331225309 974652724 /nfs/dbraw/zinc/65/27/24/974652724.db2.gz QUBBAGPNRZMKOT-VIFPVBQESA-N 1 2 237.278 1.064 20 0 BDADLO CCOCC[C@@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001172418298 974691224 /nfs/dbraw/zinc/69/12/24/974691224.db2.gz XJICOJKDXLFRJS-SNVBAGLBSA-N 1 2 236.306 1.342 20 0 BDADLO O=C(Cc1cscn1)N[C@@H]1CCn2c[nH+]cc21 ZINC001331478321 974738403 /nfs/dbraw/zinc/73/84/03/974738403.db2.gz KOKZVLPPNWBTID-SECBINFHSA-N 1 2 248.311 1.143 20 0 BDADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C)CC2)[nH]n1 ZINC001331684854 974787656 /nfs/dbraw/zinc/78/76/56/974787656.db2.gz CQBAVUUPJMPDPZ-LLVKDONJSA-N 1 2 248.330 1.459 20 0 BDADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C)CC2)[nH]n1 ZINC001331684854 974787659 /nfs/dbraw/zinc/78/76/59/974787659.db2.gz CQBAVUUPJMPDPZ-LLVKDONJSA-N 1 2 248.330 1.459 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CCOC(C)C ZINC001172438322 974792344 /nfs/dbraw/zinc/79/23/44/974792344.db2.gz PIIUYZDHBLGPNQ-QWRGUYRKSA-N 1 2 231.336 1.731 20 0 BDADLO C[NH+]1CC(Oc2cccn3ccnc23)C1 ZINC001226216384 974830885 /nfs/dbraw/zinc/83/08/85/974830885.db2.gz RNJDYIKNSINBRU-UHFFFAOYSA-N 1 2 203.245 1.027 20 0 BDADLO CC[NH+]1CC(Oc2noc3ccccc32)C1 ZINC001226401408 974883052 /nfs/dbraw/zinc/88/30/52/974883052.db2.gz ZMLQTLRFRRORNB-UHFFFAOYSA-N 1 2 218.256 1.911 20 0 BDADLO COc1nc(Cl)c(C[N@H+](C)CCCF)n1C ZINC001332038494 974929803 /nfs/dbraw/zinc/92/98/03/974929803.db2.gz WUZIAMUICBUZRN-UHFFFAOYSA-N 1 2 249.717 1.874 20 0 BDADLO COc1nc(Cl)c(C[N@@H+](C)CCCF)n1C ZINC001332038494 974929816 /nfs/dbraw/zinc/92/98/16/974929816.db2.gz WUZIAMUICBUZRN-UHFFFAOYSA-N 1 2 249.717 1.874 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172925314 974970864 /nfs/dbraw/zinc/97/08/64/974970864.db2.gz XNEWHZCMOFGQHC-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO CC(=O)C1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001332148773 974979227 /nfs/dbraw/zinc/97/92/27/974979227.db2.gz NXENFUJTFPNACD-VIFPVBQESA-N 1 2 235.287 1.072 20 0 BDADLO COc1c[nH]nc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001332225531 975013803 /nfs/dbraw/zinc/01/38/03/975013803.db2.gz SSTHERHEPYNIGC-MRVPVSSYSA-N 1 2 249.274 1.205 20 0 BDADLO COc1cccc2c1C[C@@H]([N@H+](C)C1COC1)CO2 ZINC001173162654 975052342 /nfs/dbraw/zinc/05/23/42/975052342.db2.gz XTZHXZGQTMIYLJ-SNVBAGLBSA-N 1 2 249.310 1.329 20 0 BDADLO COc1cccc2c1C[C@@H]([N@@H+](C)C1COC1)CO2 ZINC001173162654 975052350 /nfs/dbraw/zinc/05/23/50/975052350.db2.gz XTZHXZGQTMIYLJ-SNVBAGLBSA-N 1 2 249.310 1.329 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001332381265 975084374 /nfs/dbraw/zinc/08/43/74/975084374.db2.gz ZFOMVULBUWWWDX-RYUDHWBXSA-N 1 2 247.342 1.991 20 0 BDADLO CC[NH+]1CC(Oc2nc3ncccc3o2)C1 ZINC001226812311 975094986 /nfs/dbraw/zinc/09/49/86/975094986.db2.gz RYGZIOPDGLLQJS-UHFFFAOYSA-N 1 2 219.244 1.306 20 0 BDADLO Cn1ncc2cc(OC3C[NH+](C)C3)ccc21 ZINC001226943126 975169169 /nfs/dbraw/zinc/16/91/69/975169169.db2.gz QIXMKRDAWUJNTL-UHFFFAOYSA-N 1 2 217.272 1.266 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCCC2 ZINC001332558642 975216541 /nfs/dbraw/zinc/21/65/41/975216541.db2.gz OVNBFDVDUHPJMS-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO FCC[NH+]1CCC(Oc2nccs2)CC1 ZINC001227033638 975227104 /nfs/dbraw/zinc/22/71/04/975227104.db2.gz CYPYXTUIRRIZGV-UHFFFAOYSA-N 1 2 230.308 1.956 20 0 BDADLO Cc1ncc(C[NH2+]Cc2c(C)ccnc2N)o1 ZINC001332716592 975270017 /nfs/dbraw/zinc/27/00/17/975270017.db2.gz GUVVZJBUISPXMT-UHFFFAOYSA-N 1 2 232.287 1.558 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)[nH]n1 ZINC001332719220 975272529 /nfs/dbraw/zinc/27/25/29/975272529.db2.gz ZRJREPNNCGPXFM-SNVBAGLBSA-N 1 2 246.318 1.134 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)[nH]n1 ZINC001332719220 975272534 /nfs/dbraw/zinc/27/25/34/975272534.db2.gz ZRJREPNNCGPXFM-SNVBAGLBSA-N 1 2 246.318 1.134 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC001333036152 975378429 /nfs/dbraw/zinc/37/84/29/975378429.db2.gz FPBVLBLQWGZZMI-SNVBAGLBSA-N 1 2 235.274 1.379 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC001333036152 975378438 /nfs/dbraw/zinc/37/84/38/975378438.db2.gz FPBVLBLQWGZZMI-SNVBAGLBSA-N 1 2 235.274 1.379 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]2CO)c(C)s1 ZINC001333452591 975791717 /nfs/dbraw/zinc/79/17/17/975791717.db2.gz QPTHFCNQGOWUSG-SECBINFHSA-N 1 2 212.318 1.327 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]2CO)c(C)s1 ZINC001333452591 975791731 /nfs/dbraw/zinc/79/17/31/975791731.db2.gz QPTHFCNQGOWUSG-SECBINFHSA-N 1 2 212.318 1.327 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccnc1C1CC1 ZINC001333568935 975856999 /nfs/dbraw/zinc/85/69/99/975856999.db2.gz OJNJUROSPAYURC-UHFFFAOYSA-N 1 2 242.282 1.794 20 0 BDADLO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ncn[nH]1)C(C)C ZINC001333605077 975890780 /nfs/dbraw/zinc/89/07/80/975890780.db2.gz KJSDURRLSALIKJ-PWSUYJOCSA-N 1 2 240.351 1.183 20 0 BDADLO COc1cc2c(cc1OC[C@H]1CCO1)C=[NH+]CC2 ZINC001228089622 975903482 /nfs/dbraw/zinc/90/34/82/975903482.db2.gz JRCYDTPZNXUKCG-GFCCVEGCSA-N 1 2 247.294 1.838 20 0 BDADLO Cc1cc(=O)cc(OC2C[NH+](C(C)(C)C)C2)[nH]1 ZINC001228122403 975917770 /nfs/dbraw/zinc/91/77/70/975917770.db2.gz UFCGPPSPFIYAIL-UHFFFAOYSA-N 1 2 236.315 1.957 20 0 BDADLO CN(Cc1nccn1C)c1nccn2c[nH+]cc12 ZINC001333664794 975963068 /nfs/dbraw/zinc/96/30/68/975963068.db2.gz AVCQSJVVCNSRHY-UHFFFAOYSA-N 1 2 242.286 1.099 20 0 BDADLO Cc1nnc([C@@H](C)NC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001333691775 975994554 /nfs/dbraw/zinc/99/45/54/975994554.db2.gz XEEMIDVWFWCWGE-SFYZADRCSA-N 1 2 249.274 1.013 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001333745561 976052889 /nfs/dbraw/zinc/05/28/89/976052889.db2.gz LZZDZUSPIQCNSY-STQMWFEESA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001333745561 976052905 /nfs/dbraw/zinc/05/29/05/976052905.db2.gz LZZDZUSPIQCNSY-STQMWFEESA-N 1 2 249.358 1.810 20 0 BDADLO c1nc(C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)n[nH]1 ZINC001333799808 976089466 /nfs/dbraw/zinc/08/94/66/976089466.db2.gz DGBVUNWZMBGTPV-VXGBXAGGSA-N 1 2 232.331 1.815 20 0 BDADLO c1nc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)n[nH]1 ZINC001333799808 976089483 /nfs/dbraw/zinc/08/94/83/976089483.db2.gz DGBVUNWZMBGTPV-VXGBXAGGSA-N 1 2 232.331 1.815 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC001333847856 976120384 /nfs/dbraw/zinc/12/03/84/976120384.db2.gz BLSQMFZPDBARJF-GFCCVEGCSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC001333847856 976120391 /nfs/dbraw/zinc/12/03/91/976120391.db2.gz BLSQMFZPDBARJF-GFCCVEGCSA-N 1 2 247.298 1.368 20 0 BDADLO CC[C@H](O)C(=O)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327939 976121404 /nfs/dbraw/zinc/12/14/04/976121404.db2.gz YKDNHTBKBLHRGI-NSHDSACASA-N 1 2 234.255 1.548 20 0 BDADLO CC[NH+]1CC(Oc2c(C)cccc2C(=O)OC)C1 ZINC001228403452 976191607 /nfs/dbraw/zinc/19/16/07/976191607.db2.gz PISJXPLMXOPYOB-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO COc1cc[nH+]c(Nc2cnc(OC)nc2)c1 ZINC001174032154 976228996 /nfs/dbraw/zinc/22/89/96/976228996.db2.gz NPBFLWGNZABBMB-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2cccnc2)C1 ZINC001206221012 976298222 /nfs/dbraw/zinc/29/82/22/976298222.db2.gz CSHUFQCCBGTZEH-SNVBAGLBSA-N 1 2 245.248 1.547 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccnc2)C1 ZINC001206221012 976298253 /nfs/dbraw/zinc/29/82/53/976298253.db2.gz CSHUFQCCBGTZEH-SNVBAGLBSA-N 1 2 245.248 1.547 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCN3C)C2)cs1 ZINC001277310863 976327946 /nfs/dbraw/zinc/32/79/46/976327946.db2.gz WHJSZTOUGYJFFE-UHFFFAOYSA-N 1 2 222.357 1.946 20 0 BDADLO CO[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001334152802 976336247 /nfs/dbraw/zinc/33/62/47/976336247.db2.gz CKLAOTCGYCLZNJ-JTQLQIEISA-N 1 2 232.287 1.345 20 0 BDADLO Cc1cnc(F)c(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001228587852 976355141 /nfs/dbraw/zinc/35/51/41/976355141.db2.gz VMQMDTDFYQVWOB-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO Cc1cnc(F)c(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001228587852 976355161 /nfs/dbraw/zinc/35/51/61/976355161.db2.gz VMQMDTDFYQVWOB-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO Cc1nnc(CC[N@@H+]2Cc3cccnc3C2)o1 ZINC001334225696 976385655 /nfs/dbraw/zinc/38/56/55/976385655.db2.gz ZXHXLIPFBPCRLT-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1nnc(CC[N@H+]2Cc3cccnc3C2)o1 ZINC001334225696 976385666 /nfs/dbraw/zinc/38/56/66/976385666.db2.gz ZXHXLIPFBPCRLT-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC1=CCCOC1 ZINC001334556515 976554944 /nfs/dbraw/zinc/55/49/44/976554944.db2.gz CAPAEKMWCVTQDQ-UHFFFAOYSA-N 1 2 249.314 1.066 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC001334559115 976555968 /nfs/dbraw/zinc/55/59/68/976555968.db2.gz QYQLARASLLTPKJ-NDBYEHHHSA-N 1 2 247.342 1.997 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3[nH]ccc3n2)C1 ZINC001228981542 976605958 /nfs/dbraw/zinc/60/59/58/976605958.db2.gz CGQKESHYIHIBAC-SNVBAGLBSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3[nH]ccc3n2)C1 ZINC001228981542 976605960 /nfs/dbraw/zinc/60/59/60/976605960.db2.gz CGQKESHYIHIBAC-SNVBAGLBSA-N 1 2 247.298 1.272 20 0 BDADLO CC[NH+]1CC(Oc2ccc(F)c(OC)c2)C1 ZINC001228985222 976610848 /nfs/dbraw/zinc/61/08/48/976610848.db2.gz JYQSSZQHWUPAKZ-UHFFFAOYSA-N 1 2 225.263 1.917 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1cc(C)ncn1 ZINC001334983458 976815932 /nfs/dbraw/zinc/81/59/32/976815932.db2.gz XWVVEEOXRIPHPD-UHFFFAOYSA-N 1 2 246.314 1.934 20 0 BDADLO CC(C)=CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001174553193 976855980 /nfs/dbraw/zinc/85/59/80/976855980.db2.gz BKMYTMYDJIVBKL-LBPRGKRZSA-N 1 2 233.315 1.988 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2nncn2C)c(C)n1 ZINC001335222032 976891019 /nfs/dbraw/zinc/89/10/19/976891019.db2.gz AAZTWSDGMJUUNK-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO CC(=O)NCCc1ccc(OC2C[NH+](C)C2)cc1 ZINC001229665317 976933143 /nfs/dbraw/zinc/93/31/43/976933143.db2.gz ABFMNOCJKJDZHK-UHFFFAOYSA-N 1 2 248.326 1.058 20 0 BDADLO N#Cc1cccc2c(C[NH+]3CCOCC3)c[nH]c21 ZINC000259930435 977062870 /nfs/dbraw/zinc/06/28/70/977062870.db2.gz DBOBNOSWWHAQGD-UHFFFAOYSA-N 1 2 241.294 1.872 20 0 BDADLO CCc1cc(N2CC[C@H]([C@@H](C)O)C2)nc(CC)[nH+]1 ZINC001335478956 977083977 /nfs/dbraw/zinc/08/39/77/977083977.db2.gz NEFHEEVUIVACRH-MNOVXSKESA-N 1 2 249.358 1.809 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)CNC3=O)C1 ZINC001230043328 977106616 /nfs/dbraw/zinc/10/66/16/977106616.db2.gz SCKMWBUWTUFUTF-UHFFFAOYSA-N 1 2 232.283 1.013 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C)CC=CC1 ZINC001335764813 977267095 /nfs/dbraw/zinc/26/70/95/977267095.db2.gz OEVRBYKCQFKBNF-NSHDSACASA-N 1 2 233.315 1.744 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+](Cc2ncco2)C1 ZINC000260163493 977287104 /nfs/dbraw/zinc/28/71/04/977287104.db2.gz STFHPDRHQLNLLF-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC000260163493 977287113 /nfs/dbraw/zinc/28/71/13/977287113.db2.gz STFHPDRHQLNLLF-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO C[C@@H](C(=O)N(C)[C@H]1CCSC1)n1cc[nH+]c1 ZINC001335805400 977297251 /nfs/dbraw/zinc/29/72/51/977297251.db2.gz YQBOLZUOOPLHIQ-UWVGGRQHSA-N 1 2 239.344 1.408 20 0 BDADLO C[C@H](C(=O)N(C)[C@@H]1CCSC1)n1cc[nH+]c1 ZINC001335805398 977297453 /nfs/dbraw/zinc/29/74/53/977297453.db2.gz YQBOLZUOOPLHIQ-NXEZZACHSA-N 1 2 239.344 1.408 20 0 BDADLO CN(C)c1ccc(Nc2cnnn2C)c[nH+]1 ZINC001175341356 977361894 /nfs/dbraw/zinc/36/18/94/977361894.db2.gz HMDIEFWMQXRXCQ-UHFFFAOYSA-N 1 2 218.264 1.020 20 0 BDADLO CN(C)c1ccc(Nc2cnns2)c[nH+]1 ZINC001175341420 977362096 /nfs/dbraw/zinc/36/20/96/977362096.db2.gz QMDBWICRARMMGH-UHFFFAOYSA-N 1 2 221.289 1.743 20 0 BDADLO CN(C)c1ccc(Nc2cc[nH]c(=O)c2)c[nH+]1 ZINC001175338849 977387700 /nfs/dbraw/zinc/38/77/00/977387700.db2.gz NZAZQFDKQLRNJC-UHFFFAOYSA-N 1 2 230.271 1.992 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)NC(=O)C3)C1 ZINC001230947507 977392520 /nfs/dbraw/zinc/39/25/20/977392520.db2.gz YXPIAKXMBHBFIA-UHFFFAOYSA-N 1 2 232.283 1.264 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc(C3CC3)nn2)C1 ZINC001231025673 977428539 /nfs/dbraw/zinc/42/85/39/977428539.db2.gz NZGDEZVVUQFZAA-UHFFFAOYSA-N 1 2 233.315 1.825 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCC(F)F ZINC001336018835 977431677 /nfs/dbraw/zinc/43/16/77/977431677.db2.gz QYPTZTSOQOEGGN-UHFFFAOYSA-N 1 2 217.219 1.082 20 0 BDADLO CC[NH+]1CC(Oc2ccc3c(c2)C(=O)NC3)C1 ZINC001231100979 977478039 /nfs/dbraw/zinc/47/80/39/977478039.db2.gz QZQLWZWDSIFRDZ-UHFFFAOYSA-N 1 2 232.283 1.013 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1ccsn1 ZINC001175522416 977503798 /nfs/dbraw/zinc/50/37/98/977503798.db2.gz HVLFQUHGTCOUHU-UHFFFAOYSA-N 1 2 236.300 1.448 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc(N=O)cc2)C1 ZINC001231289279 977557040 /nfs/dbraw/zinc/55/70/40/977557040.db2.gz NRXZMTNNEPTPLX-LBPRGKRZSA-N 1 2 236.271 1.794 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc(N=O)cc2)C1 ZINC001231289279 977557046 /nfs/dbraw/zinc/55/70/46/977557046.db2.gz NRXZMTNNEPTPLX-LBPRGKRZSA-N 1 2 236.271 1.794 20 0 BDADLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001231312682 977567278 /nfs/dbraw/zinc/56/72/78/977567278.db2.gz SEYFQFUASNGZEU-RYUDHWBXSA-N 1 2 244.354 1.925 20 0 BDADLO CCC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001231312682 977567286 /nfs/dbraw/zinc/56/72/86/977567286.db2.gz SEYFQFUASNGZEU-RYUDHWBXSA-N 1 2 244.354 1.925 20 0 BDADLO COc1cccnc1NC1=CCC[N@H+](C)C1 ZINC001175575217 977571247 /nfs/dbraw/zinc/57/12/47/977571247.db2.gz OZFQMKCDEOTXLT-UHFFFAOYSA-N 1 2 219.288 1.722 20 0 BDADLO COc1cccnc1NC1=CCC[N@@H+](C)C1 ZINC001175575217 977571255 /nfs/dbraw/zinc/57/12/55/977571255.db2.gz OZFQMKCDEOTXLT-UHFFFAOYSA-N 1 2 219.288 1.722 20 0 BDADLO COc1cccnc1N=C1CCC[N@H+](C)C1 ZINC001175575217 977571262 /nfs/dbraw/zinc/57/12/62/977571262.db2.gz OZFQMKCDEOTXLT-UHFFFAOYSA-N 1 2 219.288 1.722 20 0 BDADLO COc1cccnc1N=C1CCC[N@@H+](C)C1 ZINC001175575217 977571272 /nfs/dbraw/zinc/57/12/72/977571272.db2.gz OZFQMKCDEOTXLT-UHFFFAOYSA-N 1 2 219.288 1.722 20 0 BDADLO COC(=O)c1cccnc1N=C1CCC[N@H+](C)C1 ZINC001175574020 977574082 /nfs/dbraw/zinc/57/40/82/977574082.db2.gz KRGQVBNUVGSBFP-UHFFFAOYSA-N 1 2 247.298 1.500 20 0 BDADLO COC(=O)c1cccnc1N=C1CCC[N@@H+](C)C1 ZINC001175574020 977574092 /nfs/dbraw/zinc/57/40/92/977574092.db2.gz KRGQVBNUVGSBFP-UHFFFAOYSA-N 1 2 247.298 1.500 20 0 BDADLO c1[nH]c2cnccc2c1C[N@@H+]1CCC12COC2 ZINC001231518931 977622710 /nfs/dbraw/zinc/62/27/10/977622710.db2.gz RABXTIBBYLGQDF-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO c1[nH]c2cnccc2c1C[N@H+]1CCC12COC2 ZINC001231518931 977622714 /nfs/dbraw/zinc/62/27/14/977622714.db2.gz RABXTIBBYLGQDF-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1c[nH]c2cnccc12 ZINC001231515427 977625098 /nfs/dbraw/zinc/62/50/98/977625098.db2.gz INFQHDVNRJLTQY-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1c[nH]c2cnccc12 ZINC001231515427 977625102 /nfs/dbraw/zinc/62/51/02/977625102.db2.gz INFQHDVNRJLTQY-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO COCC[N@H+](C)Cc1cc(F)cnc1OC ZINC001231740841 977724853 /nfs/dbraw/zinc/72/48/53/977724853.db2.gz NWUVHAVPKDTLLT-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO COCC[N@@H+](C)Cc1cc(F)cnc1OC ZINC001231740841 977724865 /nfs/dbraw/zinc/72/48/65/977724865.db2.gz NWUVHAVPKDTLLT-UHFFFAOYSA-N 1 2 228.267 1.308 20 0 BDADLO CCOc1ncccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001231765744 977732342 /nfs/dbraw/zinc/73/23/42/977732342.db2.gz HOXWMBFPOPRZAY-NEPJUHHUSA-N 1 2 234.299 1.453 20 0 BDADLO CCOc1ncccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001231765744 977732352 /nfs/dbraw/zinc/73/23/52/977732352.db2.gz HOXWMBFPOPRZAY-NEPJUHHUSA-N 1 2 234.299 1.453 20 0 BDADLO CCOC[C@@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC001336527216 977749310 /nfs/dbraw/zinc/74/93/10/977749310.db2.gz DLBKPHKVTQCLIL-SNVBAGLBSA-N 1 2 236.319 1.312 20 0 BDADLO Cc1noc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC001336542909 977762909 /nfs/dbraw/zinc/76/29/09/977762909.db2.gz JACHTXWESZINGS-MWLCHTKSSA-N 1 2 247.302 1.662 20 0 BDADLO CCc1ccc(N(C)[C@@H](C)C[S@](C)=O)[nH+]c1 ZINC001336590405 977790251 /nfs/dbraw/zinc/79/02/51/977790251.db2.gz RRBLXBJJADEVTB-QFYYESIMSA-N 1 2 240.372 1.847 20 0 BDADLO Cc1noc(N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001336575655 977792603 /nfs/dbraw/zinc/79/26/03/977792603.db2.gz YRGPBEFADURETH-LBPRGKRZSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1noc(N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001336575655 977792616 /nfs/dbraw/zinc/79/26/16/977792616.db2.gz YRGPBEFADURETH-LBPRGKRZSA-N 1 2 244.298 1.977 20 0 BDADLO CC[C@@]1(CO)CCCN(c2cc(N)nc[nH+]2)C1 ZINC001336585796 977796144 /nfs/dbraw/zinc/79/61/44/977796144.db2.gz WXXXPHCZHXERFB-GFCCVEGCSA-N 1 2 236.319 1.048 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cncc3C2)cnc1F ZINC001231926686 977800114 /nfs/dbraw/zinc/80/01/14/977800114.db2.gz AEZRKWNGMUEWPS-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cncc3C2)cnc1F ZINC001231926686 977800122 /nfs/dbraw/zinc/80/01/22/977800122.db2.gz AEZRKWNGMUEWPS-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO COc1cnc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cn1 ZINC001231939324 977805936 /nfs/dbraw/zinc/80/59/36/977805936.db2.gz QSYVUTJMGDXZKM-PHIMTYICSA-N 1 2 247.298 1.181 20 0 BDADLO COc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cn1 ZINC001231939324 977805943 /nfs/dbraw/zinc/80/59/43/977805943.db2.gz QSYVUTJMGDXZKM-PHIMTYICSA-N 1 2 247.298 1.181 20 0 BDADLO O[C@H]1C[N@H+](Cc2ncccc2Cl)CC[C@@H]1F ZINC001231958262 977811993 /nfs/dbraw/zinc/81/19/93/977811993.db2.gz RIVHKVGETGWBJR-ONGXEEELSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@@H]1F ZINC001231958262 977811998 /nfs/dbraw/zinc/81/19/98/977811998.db2.gz RIVHKVGETGWBJR-ONGXEEELSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3nncc3C2)cc(C)n1 ZINC001232000170 977829724 /nfs/dbraw/zinc/82/97/24/977829724.db2.gz CIUDBNPQLQIGLE-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1cc(C[N@H+]2CCn3nncc3C2)cc(C)n1 ZINC001232000170 977829728 /nfs/dbraw/zinc/82/97/28/977829728.db2.gz CIUDBNPQLQIGLE-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C=CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC001336701042 977866137 /nfs/dbraw/zinc/86/61/37/977866137.db2.gz BAHRCXPNNUHGTP-UHFFFAOYSA-N 1 2 247.298 1.351 20 0 BDADLO COc1cc[nH+]cc1Nc1cncc(C(N)=O)c1 ZINC001176117232 977944070 /nfs/dbraw/zinc/94/40/70/977944070.db2.gz WRRDUHNKCTXYKX-UHFFFAOYSA-N 1 2 244.254 1.328 20 0 BDADLO COc1cc[nH+]cc1Nc1nccn2ccnc12 ZINC001176118200 977945716 /nfs/dbraw/zinc/94/57/16/977945716.db2.gz GUVUSJHPJAMLGO-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO COc1cc[nH+]cc1Nc1ncccn1 ZINC001176119195 977949461 /nfs/dbraw/zinc/94/94/61/977949461.db2.gz NIQXEZZIKJWVSL-UHFFFAOYSA-N 1 2 202.217 1.624 20 0 BDADLO COc1cc[nH+]cc1Nc1cc2n(n1)CCO2 ZINC001176121079 977954091 /nfs/dbraw/zinc/95/40/91/977954091.db2.gz GMCHEVZSYPPJFY-UHFFFAOYSA-N 1 2 232.243 1.423 20 0 BDADLO COc1[nH+]ccc(N)c1Nc1ccc(=O)[nH]c1 ZINC001176126935 977964930 /nfs/dbraw/zinc/96/49/30/977964930.db2.gz RUTNGMGRJYVNKG-UHFFFAOYSA-N 1 2 232.243 1.517 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001232245516 977974253 /nfs/dbraw/zinc/97/42/53/977974253.db2.gz DEYMEJLOYIMHGK-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001232245516 977974270 /nfs/dbraw/zinc/97/42/70/977974270.db2.gz DEYMEJLOYIMHGK-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CCOc1ncc(C[NH+]2CC3(COC3)C2)cc1C ZINC001232303186 977998575 /nfs/dbraw/zinc/99/85/75/977998575.db2.gz VXWUDUCTHVTSKM-UHFFFAOYSA-N 1 2 248.326 1.621 20 0 BDADLO CCOc1ccc(C[N@H+](C)CC(C)=O)c(C)n1 ZINC001232306537 977999820 /nfs/dbraw/zinc/99/98/20/977999820.db2.gz ANRDKNNLXJJPIH-UHFFFAOYSA-N 1 2 236.315 1.810 20 0 BDADLO CCOc1ccc(C[N@@H+](C)CC(C)=O)c(C)n1 ZINC001232306537 977999831 /nfs/dbraw/zinc/99/98/31/977999831.db2.gz ANRDKNNLXJJPIH-UHFFFAOYSA-N 1 2 236.315 1.810 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC001232331037 978009309 /nfs/dbraw/zinc/00/93/09/978009309.db2.gz JJAHZUAETNUUGO-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC001232331037 978009313 /nfs/dbraw/zinc/00/93/13/978009313.db2.gz JJAHZUAETNUUGO-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001232341308 978017239 /nfs/dbraw/zinc/01/72/39/978017239.db2.gz QYTSWFAVTRQYNA-UHFFFAOYSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001232341308 978017247 /nfs/dbraw/zinc/01/72/47/978017247.db2.gz QYTSWFAVTRQYNA-UHFFFAOYSA-N 1 2 247.342 1.773 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1CCCC(=O)C1 ZINC001232341380 978022773 /nfs/dbraw/zinc/02/27/73/978022773.db2.gz UWRGBHPMMOGZGF-UHFFFAOYSA-N 1 2 219.288 1.137 20 0 BDADLO Cc1nc(N)ccc1C[N@H+](C)Cc1cncnc1 ZINC001232345298 978024875 /nfs/dbraw/zinc/02/48/75/978024875.db2.gz GVNCIAOMCQCODS-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+](C)Cc1cncnc1 ZINC001232345298 978024886 /nfs/dbraw/zinc/02/48/86/978024886.db2.gz GVNCIAOMCQCODS-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2ccc(N)nc2)C[C@@H]1F ZINC001232364239 978040781 /nfs/dbraw/zinc/04/07/81/978040781.db2.gz KXELOCQRHNLZSR-CMPLNLGQSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(N)nc2)C[C@@H]1F ZINC001232364239 978040792 /nfs/dbraw/zinc/04/07/92/978040792.db2.gz KXELOCQRHNLZSR-CMPLNLGQSA-N 1 2 241.285 1.936 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232427383 978067411 /nfs/dbraw/zinc/06/74/11/978067411.db2.gz UOICTSQEQRFWRB-UHFFFAOYSA-N 1 2 235.331 1.509 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232427383 978067426 /nfs/dbraw/zinc/06/74/26/978067426.db2.gz UOICTSQEQRFWRB-UHFFFAOYSA-N 1 2 235.331 1.509 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429732 978074394 /nfs/dbraw/zinc/07/43/94/978074394.db2.gz ZZKDVLKOLDQMOH-SNVBAGLBSA-N 1 2 235.331 1.509 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1[nH]nc2c1CCC2 ZINC001232429732 978074402 /nfs/dbraw/zinc/07/44/02/978074402.db2.gz ZZKDVLKOLDQMOH-SNVBAGLBSA-N 1 2 235.331 1.509 20 0 BDADLO Cc1cc(C)c(Nc2cnn(CCO)c2)c[nH+]1 ZINC001176472470 978092722 /nfs/dbraw/zinc/09/27/22/978092722.db2.gz GAMKTMWLEOXRMD-UHFFFAOYSA-N 1 2 232.287 1.631 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)C(F)(F)C2)c[nH+]1 ZINC001232463012 978094597 /nfs/dbraw/zinc/09/45/97/978094597.db2.gz BOGOKEMZDMQZBV-UHFFFAOYSA-N 1 2 229.230 1.128 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)C(F)(F)C2)[nH+]1 ZINC001232463012 978094610 /nfs/dbraw/zinc/09/46/10/978094610.db2.gz BOGOKEMZDMQZBV-UHFFFAOYSA-N 1 2 229.230 1.128 20 0 BDADLO Cc1[nH]c(CN2CCOCC23CCC3)c[nH+]1 ZINC001232464137 978109275 /nfs/dbraw/zinc/10/92/75/978109275.db2.gz SXMFRCBDAQNAHC-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]cc(CN2CCOCC23CCC3)[nH+]1 ZINC001232464137 978109284 /nfs/dbraw/zinc/10/92/84/978109284.db2.gz SXMFRCBDAQNAHC-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]c(CN2CC3(CSC3)C2)c[nH+]1 ZINC001232466025 978113747 /nfs/dbraw/zinc/11/37/47/978113747.db2.gz SXTIRJWMLMSKCQ-UHFFFAOYSA-N 1 2 209.318 1.267 20 0 BDADLO Nc1cc(N2CCC(OCC3CC3)CC2)[nH+]cn1 ZINC001337058759 978146551 /nfs/dbraw/zinc/14/65/51/978146551.db2.gz YSDXZFSXIAEAHD-UHFFFAOYSA-N 1 2 248.330 1.454 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]c3nccnc23)CCC1=O ZINC001232547298 978169197 /nfs/dbraw/zinc/16/91/97/978169197.db2.gz RPOYBDBDCXFLCL-SECBINFHSA-N 1 2 244.298 1.320 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CCC1=O ZINC001232547298 978169203 /nfs/dbraw/zinc/16/92/03/978169203.db2.gz RPOYBDBDCXFLCL-SECBINFHSA-N 1 2 244.298 1.320 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC001232546536 978171021 /nfs/dbraw/zinc/17/10/21/978171021.db2.gz CUWZCKCCAAOSRC-VIFPVBQESA-N 1 2 244.298 1.463 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1c[nH]c2nccnc12 ZINC001232546536 978171030 /nfs/dbraw/zinc/17/10/30/978171030.db2.gz CUWZCKCCAAOSRC-VIFPVBQESA-N 1 2 244.298 1.463 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc2ccoc2cn1 ZINC001232549150 978172563 /nfs/dbraw/zinc/17/25/63/978172563.db2.gz BYPXXOQLPRWUMF-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc2ccoc2cn1 ZINC001232549150 978172578 /nfs/dbraw/zinc/17/25/78/978172578.db2.gz BYPXXOQLPRWUMF-UHFFFAOYSA-N 1 2 247.298 1.396 20 0 BDADLO CCOc1ccnc(C[NH+]2CC(C)(CO)C2)c1 ZINC001232579716 978185208 /nfs/dbraw/zinc/18/52/08/978185208.db2.gz QPPGTEHHRDVGOB-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnccc1C1CC1 ZINC001176827039 978193983 /nfs/dbraw/zinc/19/39/83/978193983.db2.gz DCQLHPNQIVJYFT-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO Cc1c(O)ccc(NC(=O)Cc2c[nH]c[nH+]2)c1C ZINC001176832072 978198850 /nfs/dbraw/zinc/19/88/50/978198850.db2.gz GZHIISHIVCEOSO-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001232623407 978199474 /nfs/dbraw/zinc/19/94/74/978199474.db2.gz OOHIWRPSWQHDQQ-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001232623407 978199478 /nfs/dbraw/zinc/19/94/78/978199478.db2.gz OOHIWRPSWQHDQQ-GXTWGEPZSA-N 1 2 233.311 1.977 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001232674016 978237826 /nfs/dbraw/zinc/23/78/26/978237826.db2.gz QTOLLBUCIFOEBA-OLZOCXBDSA-N 1 2 218.300 1.701 20 0 BDADLO CNc1ccccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001232674016 978237834 /nfs/dbraw/zinc/23/78/34/978237834.db2.gz QTOLLBUCIFOEBA-OLZOCXBDSA-N 1 2 218.300 1.701 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H]3COC(=O)[C@@H]3C2)[nH+]1 ZINC001337238670 978238351 /nfs/dbraw/zinc/23/83/51/978238351.db2.gz YSLSHSJWDJXMSL-PSASIEDQSA-N 1 2 236.246 1.138 20 0 BDADLO C[N@@H+](CCC(F)(F)F)Cn1cnnc1 ZINC001337313466 978278867 /nfs/dbraw/zinc/27/88/67/978278867.db2.gz ZAPXRTMOJGRCLN-UHFFFAOYSA-N 1 2 208.187 1.120 20 0 BDADLO COc1cc(C)nc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001337266251 978255083 /nfs/dbraw/zinc/25/50/83/978255083.db2.gz AFWVTBPFWZPMAN-UHFFFAOYSA-N 1 2 247.302 1.746 20 0 BDADLO COc1ccc[nH+]c1NCC(C)(C)[C@@H](C)O ZINC001337306642 978277508 /nfs/dbraw/zinc/27/75/08/978277508.db2.gz GNDPAHZHQDNHOE-SECBINFHSA-N 1 2 224.304 1.909 20 0 BDADLO C[N@H+](CCC(F)(F)F)Cn1cnnc1 ZINC001337313466 978278858 /nfs/dbraw/zinc/27/88/58/978278858.db2.gz ZAPXRTMOJGRCLN-UHFFFAOYSA-N 1 2 208.187 1.120 20 0 BDADLO CCCn1cnc(C[NH+]2CC3(C2)CCOCC3)c1 ZINC001232798855 978281128 /nfs/dbraw/zinc/28/11/28/978281128.db2.gz NOFSVPKAQWAEPI-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO COc1cc(O)cc(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001232809523 978297348 /nfs/dbraw/zinc/29/73/48/978297348.db2.gz QQPUUDGJSOEVRZ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1cc(O)cc(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001232809523 978297355 /nfs/dbraw/zinc/29/73/55/978297355.db2.gz QQPUUDGJSOEVRZ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1CCCCS1 ZINC001597239200 978301794 /nfs/dbraw/zinc/30/17/94/978301794.db2.gz QMVZXNNYJSWYTK-GHMZBOCLSA-N 1 2 242.388 1.483 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NC[C@H]1CCCCS1 ZINC001597239200 978301806 /nfs/dbraw/zinc/30/18/06/978301806.db2.gz QMVZXNNYJSWYTK-GHMZBOCLSA-N 1 2 242.388 1.483 20 0 BDADLO Cc1cc(O)cc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC001232884153 978325651 /nfs/dbraw/zinc/32/56/51/978325651.db2.gz KXYXEILZVIGPCH-UHFFFAOYSA-N 1 2 236.315 1.221 20 0 BDADLO Cc1cc(O)cc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC001232884153 978325660 /nfs/dbraw/zinc/32/56/60/978325660.db2.gz KXYXEILZVIGPCH-UHFFFAOYSA-N 1 2 236.315 1.221 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001232914426 978329821 /nfs/dbraw/zinc/32/98/21/978329821.db2.gz OLYBSJDHMYHKDF-DTORHVGOSA-N 1 2 235.287 1.038 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001232914426 978329829 /nfs/dbraw/zinc/32/98/29/978329829.db2.gz OLYBSJDHMYHKDF-DTORHVGOSA-N 1 2 235.287 1.038 20 0 BDADLO CC(C)[C@H](C)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177408288 978353975 /nfs/dbraw/zinc/35/39/75/978353975.db2.gz AZVJCUVMSNPKPP-NSHDSACASA-N 1 2 235.331 1.679 20 0 BDADLO CN(CC(=O)NCc1ccc[nH]1)c1cccc[nH+]1 ZINC001177414152 978354055 /nfs/dbraw/zinc/35/40/55/978354055.db2.gz UOOMWKYXEJSQFQ-UHFFFAOYSA-N 1 2 244.298 1.162 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968493 978369992 /nfs/dbraw/zinc/36/99/92/978369992.db2.gz CVUOKHKVAUWIDV-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968493 978370001 /nfs/dbraw/zinc/37/00/01/978370001.db2.gz CVUOKHKVAUWIDV-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO CCc1cc(C(=O)Nc2c(C)c[nH+]cc2C)no1 ZINC001337509049 978382192 /nfs/dbraw/zinc/38/21/92/978382192.db2.gz JWRYYCHQBFEOLM-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO Cc1cc(C)c(C[NH+]2CCN(C)CC2)cn1 ZINC001233008055 978400856 /nfs/dbraw/zinc/40/08/56/978400856.db2.gz LUIHKKMAVOLBHA-UHFFFAOYSA-N 1 2 219.332 1.446 20 0 BDADLO Cc1ccc(N[C@H]2C=CS(=O)(=O)C2)[nH+]c1 ZINC000084131603 978401772 /nfs/dbraw/zinc/40/17/72/978401772.db2.gz JAQVUDWTJOPTHU-VIFPVBQESA-N 1 2 224.285 1.113 20 0 BDADLO CCC1(C(=O)Nc2c(C)c[nH+]cc2C)COC1 ZINC001337640443 978437044 /nfs/dbraw/zinc/43/70/44/978437044.db2.gz PAKHKUKOLQBLIN-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1cncs1 ZINC001337640029 978438836 /nfs/dbraw/zinc/43/88/36/978438836.db2.gz NAIWDQOTAFAQHM-UHFFFAOYSA-N 1 2 247.323 1.758 20 0 BDADLO C[N@H+](CCC1CC1)Cc1nc2ccccn2n1 ZINC001233073294 978458609 /nfs/dbraw/zinc/45/86/09/978458609.db2.gz QWHPLYPQKWMCEI-UHFFFAOYSA-N 1 2 230.315 1.961 20 0 BDADLO C[N@@H+](CCC1CC1)Cc1nc2ccccn2n1 ZINC001233073294 978458622 /nfs/dbraw/zinc/45/86/22/978458622.db2.gz QWHPLYPQKWMCEI-UHFFFAOYSA-N 1 2 230.315 1.961 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cnc1C ZINC001233162223 978482343 /nfs/dbraw/zinc/48/23/43/978482343.db2.gz XUQCLWCXZNYSLG-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cnc1C ZINC001233162223 978482347 /nfs/dbraw/zinc/48/23/47/978482347.db2.gz XUQCLWCXZNYSLG-STQMWFEESA-N 1 2 218.300 1.672 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cncnc1 ZINC001177997969 978484143 /nfs/dbraw/zinc/48/41/43/978484143.db2.gz ILYXNXYXACRKSY-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001178000182 978485650 /nfs/dbraw/zinc/48/56/50/978485650.db2.gz AIOTXPQDVZYSBE-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1O ZINC001233230744 978503309 /nfs/dbraw/zinc/50/33/09/978503309.db2.gz LQILJINIFKGAJX-CMPLNLGQSA-N 1 2 225.263 1.215 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1O ZINC001233230744 978503316 /nfs/dbraw/zinc/50/33/16/978503316.db2.gz LQILJINIFKGAJX-CMPLNLGQSA-N 1 2 225.263 1.215 20 0 BDADLO CCN1C[C@@H](C[N@@H+]2CCC[C@@H](F)C2)OC1=O ZINC001337811266 978506976 /nfs/dbraw/zinc/50/69/76/978506976.db2.gz ZKIFNCBMYWVGOZ-NXEZZACHSA-N 1 2 230.283 1.261 20 0 BDADLO CCN1C[C@@H](C[N@H+]2CCC[C@@H](F)C2)OC1=O ZINC001337811266 978506982 /nfs/dbraw/zinc/50/69/82/978506982.db2.gz ZKIFNCBMYWVGOZ-NXEZZACHSA-N 1 2 230.283 1.261 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC001233236612 978512829 /nfs/dbraw/zinc/51/28/29/978512829.db2.gz ZDJKAQWAYWZFNA-WCQYABFASA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC001233236612 978512838 /nfs/dbraw/zinc/51/28/38/978512838.db2.gz ZDJKAQWAYWZFNA-WCQYABFASA-N 1 2 249.289 1.503 20 0 BDADLO CCc1ccc(N2CC[C@H](C)[C@H]2CO)[nH+]c1 ZINC001337846809 978523556 /nfs/dbraw/zinc/52/35/56/978523556.db2.gz OMOVWAXUIMUJGA-CMPLNLGQSA-N 1 2 220.316 1.851 20 0 BDADLO CC(C)c1ccnc(CC(=O)NC2C[NH+](C)C2)c1 ZINC001178225113 978526917 /nfs/dbraw/zinc/52/69/17/978526917.db2.gz FRGTWDSPGXVJQX-UHFFFAOYSA-N 1 2 247.342 1.178 20 0 BDADLO CCc1ccc(N2CCO[C@H]([C@H](C)O)C2)[nH+]c1 ZINC001337910131 978562903 /nfs/dbraw/zinc/56/29/03/978562903.db2.gz MZDPIWYJTPMRSZ-JQWIXIFHSA-N 1 2 236.315 1.230 20 0 BDADLO CCc1ccc(N2CCC3(COC3)C2)[nH+]c1 ZINC001337929696 978569086 /nfs/dbraw/zinc/56/90/86/978569086.db2.gz RRTVDOROIGUOBR-UHFFFAOYSA-N 1 2 218.300 1.871 20 0 BDADLO CC(=O)CN(C)Cc1cccc2[nH+]ccn21 ZINC001233360977 978571433 /nfs/dbraw/zinc/57/14/33/978571433.db2.gz RSZUTNLBTDPGOA-UHFFFAOYSA-N 1 2 217.272 1.355 20 0 BDADLO Cc1cc(CN(C)Cc2cccc(N)[nH+]2)n(C)n1 ZINC001233371608 978584411 /nfs/dbraw/zinc/58/44/11/978584411.db2.gz ZDKPNWFKPMACGM-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO CCc1ccc(N2C[C@@H]3COC(=O)[C@@H]3C2)[nH+]c1 ZINC001338062423 978602853 /nfs/dbraw/zinc/60/28/53/978602853.db2.gz BVBZMGIQVBKNKQ-GHMZBOCLSA-N 1 2 232.283 1.253 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233446876 978603357 /nfs/dbraw/zinc/60/33/57/978603357.db2.gz MHSYZEAEQVKTCJ-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233446876 978603362 /nfs/dbraw/zinc/60/33/62/978603362.db2.gz MHSYZEAEQVKTCJ-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO COc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)no1 ZINC001178690612 978609566 /nfs/dbraw/zinc/60/95/66/978609566.db2.gz FYDBJIINZYFCBM-MRVPVSSYSA-N 1 2 239.275 1.106 20 0 BDADLO COc1cc(NC(=O)[C@H]2CCCC[N@H+]2C)no1 ZINC001178690612 978609575 /nfs/dbraw/zinc/60/95/75/978609575.db2.gz FYDBJIINZYFCBM-MRVPVSSYSA-N 1 2 239.275 1.106 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@]12C[C@H]1CCC2 ZINC001178730318 978622993 /nfs/dbraw/zinc/62/29/93/978622993.db2.gz WXJKIVASGURRBX-ZWNOBZJWSA-N 1 2 233.315 1.412 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(NC=O)c1 ZINC001179070450 978663103 /nfs/dbraw/zinc/66/31/03/978663103.db2.gz XAUJSPJIXZPEHN-GFCCVEGCSA-N 1 2 247.298 1.288 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(NC=O)c1 ZINC001179070450 978663107 /nfs/dbraw/zinc/66/31/07/978663107.db2.gz XAUJSPJIXZPEHN-GFCCVEGCSA-N 1 2 247.298 1.288 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ccn(C)n2)[nH+]1 ZINC001179092641 978667462 /nfs/dbraw/zinc/66/74/62/978667462.db2.gz UHVYTBWLJNCEGB-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ccn(C)n2)c[nH+]1 ZINC001179092641 978667465 /nfs/dbraw/zinc/66/74/65/978667465.db2.gz UHVYTBWLJNCEGB-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1C)C1CC1 ZINC001338415301 978675080 /nfs/dbraw/zinc/67/50/80/978675080.db2.gz ARSAFCFEJYOCKN-LLVKDONJSA-N 1 2 249.362 1.571 20 0 BDADLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1C)C1CC1 ZINC001338415301 978675084 /nfs/dbraw/zinc/67/50/84/978675084.db2.gz ARSAFCFEJYOCKN-LLVKDONJSA-N 1 2 249.362 1.571 20 0 BDADLO CCOC(=O)C[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC001338404048 978675933 /nfs/dbraw/zinc/67/59/33/978675933.db2.gz SEUNMLMLNRIZHT-NSHDSACASA-N 1 2 249.314 1.707 20 0 BDADLO O=C(CCO)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001179574222 978719508 /nfs/dbraw/zinc/71/95/08/978719508.db2.gz JWTLTMDQLGNCDZ-UHFFFAOYSA-N 1 2 245.282 1.252 20 0 BDADLO COc1ncc(C[NH+]2CC3(C2)CCCOC3)cn1 ZINC001206387152 978728687 /nfs/dbraw/zinc/72/86/87/978728687.db2.gz ODSCTCHZTUXSBR-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO O[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccn[nH]1 ZINC001179690352 978738752 /nfs/dbraw/zinc/73/87/52/978738752.db2.gz FDJSYALQMYTDJM-JQWIXIFHSA-N 1 2 223.320 1.441 20 0 BDADLO COc1cccc(OC)c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001204253338 978740674 /nfs/dbraw/zinc/74/06/74/978740674.db2.gz NHVCEXBRDQKZTP-RISCZKNCSA-N 1 2 249.310 1.677 20 0 BDADLO COc1cccc(OC)c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001204253338 978740678 /nfs/dbraw/zinc/74/06/78/978740678.db2.gz NHVCEXBRDQKZTP-RISCZKNCSA-N 1 2 249.310 1.677 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)nc(C)c1 ZINC001338886510 978746840 /nfs/dbraw/zinc/74/68/40/978746840.db2.gz DPBIGQJDFUIMOZ-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CC1(C)CCC[C@@H]([NH2+]Cc2nnc(CO)[nH]2)C1 ZINC001179842177 978764096 /nfs/dbraw/zinc/76/40/96/978764096.db2.gz DPQYZWTUNFYOFE-SECBINFHSA-N 1 2 238.335 1.355 20 0 BDADLO CO[C@H](C(=O)Nc1c(C)c[nH+]cc1C)C1CCC1 ZINC001338987996 978765471 /nfs/dbraw/zinc/76/54/71/978765471.db2.gz PNDQYFKSMSDEGK-ZDUSSCGKSA-N 1 2 248.326 1.874 20 0 BDADLO CO[C@@H](C(=O)Nc1c(C)c[nH+]cc1C)C1CCC1 ZINC001338987995 978766030 /nfs/dbraw/zinc/76/60/30/978766030.db2.gz PNDQYFKSMSDEGK-CYBMUJFWSA-N 1 2 248.326 1.874 20 0 BDADLO CN(Cc1ccccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001339053710 978780724 /nfs/dbraw/zinc/78/07/24/978780724.db2.gz KPRZUKVNZHRQMJ-UHFFFAOYSA-N 1 2 230.271 1.006 20 0 BDADLO Cc1c(=O)cc[nH]c1OC1C[NH+](C(C)(C)C)C1 ZINC001234182929 978789912 /nfs/dbraw/zinc/78/99/12/978789912.db2.gz WMRZSRMABKLNRT-UHFFFAOYSA-N 1 2 236.315 1.957 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCO[C@H]1C ZINC001339103955 978795298 /nfs/dbraw/zinc/79/52/98/978795298.db2.gz WBBAUQSQHBVHPM-QWRGUYRKSA-N 1 2 234.299 1.484 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C(F)F ZINC001339342929 978836890 /nfs/dbraw/zinc/83/68/90/978836890.db2.gz OLSHOUZDODBXQN-VIFPVBQESA-N 1 2 243.257 1.219 20 0 BDADLO O=C([O-])[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001601794346 978850351 /nfs/dbraw/zinc/85/03/51/978850351.db2.gz KFGXXVCREFWDJG-MNOVXSKESA-N 1 2 237.303 1.116 20 0 BDADLO CCc1cccnc1OC1C[NH+](CC)C1 ZINC001234575932 978860223 /nfs/dbraw/zinc/86/02/23/978860223.db2.gz PEAZXSVNHYCKNN-UHFFFAOYSA-N 1 2 206.289 1.727 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C(F)F)n1cc[nH+]c1 ZINC001339586583 978876414 /nfs/dbraw/zinc/87/64/14/978876414.db2.gz PQDXMGAKGNIYSS-ZETCQYMHSA-N 1 2 231.246 1.604 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(N)nc[nH+]1 ZINC001339692619 978895370 /nfs/dbraw/zinc/89/53/70/978895370.db2.gz SMKSYIAFFUQWSX-RQJHMYQMSA-N 1 2 246.236 1.836 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](CC(N)=O)C2)[nH+]1 ZINC001339723063 978901297 /nfs/dbraw/zinc/90/12/97/978901297.db2.gz USBZONDVWBHUHM-VIFPVBQESA-N 1 2 237.278 1.231 20 0 BDADLO C[NH+]1CC(Oc2nc3sccc3[nH]2)C1 ZINC001234852794 978918161 /nfs/dbraw/zinc/91/81/61/978918161.db2.gz YZOAYZQGKYVPBZ-UHFFFAOYSA-N 1 2 209.274 1.317 20 0 BDADLO COc1ccnc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001339814492 978918675 /nfs/dbraw/zinc/91/86/75/978918675.db2.gz CDGNVNGNYYIXTB-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1nc2c(o1)CCCC2 ZINC001180590319 978920109 /nfs/dbraw/zinc/92/01/09/978920109.db2.gz YCGOZGDNPVRWHX-UHFFFAOYSA-N 1 2 246.270 1.389 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC001339925215 978942921 /nfs/dbraw/zinc/94/29/21/978942921.db2.gz GDJKYZAJXPALDT-OIBJUYFYSA-N 1 2 246.301 1.758 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(F)cn2)CC[C@H]1O ZINC001235004735 978949007 /nfs/dbraw/zinc/94/90/07/978949007.db2.gz LKNABNQGWGSUDO-MWLCHTKSSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(F)cn2)CC[C@H]1O ZINC001235004735 978949010 /nfs/dbraw/zinc/94/90/10/978949010.db2.gz LKNABNQGWGSUDO-MWLCHTKSSA-N 1 2 239.294 1.209 20 0 BDADLO Nc1cc(CC(=O)N2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc[nH+]1 ZINC001181240916 979016497 /nfs/dbraw/zinc/01/64/97/979016497.db2.gz XPUICCTYNYGIPK-DCAQKATOSA-N 1 2 249.289 1.023 20 0 BDADLO C[C@H]1CCCCN(C(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181240751 979016761 /nfs/dbraw/zinc/01/67/61/979016761.db2.gz RUTUZRRDEOKYDV-NSHDSACASA-N 1 2 247.342 1.855 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H]2C)c(F)cn1 ZINC001235312234 979022739 /nfs/dbraw/zinc/02/27/39/979022739.db2.gz PNJWOCZYWVFQBC-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H]2C)c(F)cn1 ZINC001235312234 979022745 /nfs/dbraw/zinc/02/27/45/979022745.db2.gz PNJWOCZYWVFQBC-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@H](O)C2)c(F)cn1 ZINC001235312237 979023224 /nfs/dbraw/zinc/02/32/24/979023224.db2.gz POHAGMMTBYUUFM-JTQLQIEISA-N 1 2 240.278 1.186 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@H](O)C2)c(F)cn1 ZINC001235312237 979023227 /nfs/dbraw/zinc/02/32/27/979023227.db2.gz POHAGMMTBYUUFM-JTQLQIEISA-N 1 2 240.278 1.186 20 0 BDADLO CC(=O)C[C@H](C)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001181258806 979025204 /nfs/dbraw/zinc/02/52/04/979025204.db2.gz SRQZDEIBBYBDMX-VIFPVBQESA-N 1 2 240.347 1.201 20 0 BDADLO COc1cncc(C[N@@H+]2CCCC(=O)CC2)c1C ZINC001235461188 979050490 /nfs/dbraw/zinc/05/04/90/979050490.db2.gz HTBNPMTULSZFBH-UHFFFAOYSA-N 1 2 248.326 1.954 20 0 BDADLO COc1cncc(C[N@H+]2CCCC(=O)CC2)c1C ZINC001235461188 979050497 /nfs/dbraw/zinc/05/04/97/979050497.db2.gz HTBNPMTULSZFBH-UHFFFAOYSA-N 1 2 248.326 1.954 20 0 BDADLO COCC(C)(C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001181944788 979377556 /nfs/dbraw/zinc/37/75/56/979377556.db2.gz SDSXNCIALCVIOA-UHFFFAOYSA-N 1 2 239.319 1.049 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cnoc1 ZINC001181994766 979398393 /nfs/dbraw/zinc/39/83/93/979398393.db2.gz SHXZPAUFRBSQPI-JTQLQIEISA-N 1 2 223.276 1.488 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1cnoc1 ZINC001181994766 979398404 /nfs/dbraw/zinc/39/84/04/979398404.db2.gz SHXZPAUFRBSQPI-JTQLQIEISA-N 1 2 223.276 1.488 20 0 BDADLO CCn1ccc(CN2CCn3c[nH+]cc3C2)n1 ZINC001182181847 979469391 /nfs/dbraw/zinc/46/93/91/979469391.db2.gz BBCJWLHGOOFURT-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO NC(=O)Cc1ccccc1-c1ccc(N)[nH+]c1 ZINC001236316618 979528691 /nfs/dbraw/zinc/52/86/91/979528691.db2.gz ODLROAHTSOYOKX-UHFFFAOYSA-N 1 2 227.267 1.359 20 0 BDADLO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)[O-])co1 ZINC001604333489 979621613 /nfs/dbraw/zinc/62/16/13/979621613.db2.gz WOERRYZZVPPVRR-WCBMZHEXSA-N 1 2 240.303 1.612 20 0 BDADLO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)[O-])co1 ZINC001604333487 979622472 /nfs/dbraw/zinc/62/24/72/979622472.db2.gz WOERRYZZVPPVRR-PSASIEDQSA-N 1 2 240.303 1.612 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)NCC(F)(F)F ZINC001182830650 979655546 /nfs/dbraw/zinc/65/55/46/979655546.db2.gz TZTQBADDLIBQMZ-ZETCQYMHSA-N 1 2 224.226 1.148 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)NCC(F)(F)F ZINC001182830650 979655557 /nfs/dbraw/zinc/65/55/57/979655557.db2.gz TZTQBADDLIBQMZ-ZETCQYMHSA-N 1 2 224.226 1.148 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nccnc1Cl ZINC001236613149 979674929 /nfs/dbraw/zinc/67/49/29/979674929.db2.gz GHRMLTWCJHWCNR-RKDXNWHRSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nccnc1Cl ZINC001236613149 979674939 /nfs/dbraw/zinc/67/49/39/979674939.db2.gz GHRMLTWCJHWCNR-RKDXNWHRSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1nccnc1Cl ZINC001236622630 979682307 /nfs/dbraw/zinc/68/23/07/979682307.db2.gz WGYAWMFAMLBRRP-RKDXNWHRSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1nccnc1Cl ZINC001236622630 979682309 /nfs/dbraw/zinc/68/23/09/979682309.db2.gz WGYAWMFAMLBRRP-RKDXNWHRSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H](C[NH2+][C@H]1CC[C@H](CC(=O)[O-])[C@H]1C)[NH+](C)C ZINC001604642243 979690785 /nfs/dbraw/zinc/69/07/85/979690785.db2.gz AVFBAMBFQUCIDC-QCNOEVLYSA-N 1 2 242.363 1.416 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(F)c(O)c2)C1 ZINC001236703322 979695873 /nfs/dbraw/zinc/69/58/73/979695873.db2.gz NGIJLSKOEQQGTK-UHFFFAOYSA-N 1 2 225.263 1.346 20 0 BDADLO CC[N@H+](Cc1ccc(F)c(O)c1)C1CN(C)C1 ZINC001236706902 979706738 /nfs/dbraw/zinc/70/67/38/979706738.db2.gz ATCGOORUWAAUFJ-UHFFFAOYSA-N 1 2 238.306 1.667 20 0 BDADLO CC[N@@H+](Cc1ccc(F)c(O)c1)C1CN(C)C1 ZINC001236706902 979706752 /nfs/dbraw/zinc/70/67/52/979706752.db2.gz ATCGOORUWAAUFJ-UHFFFAOYSA-N 1 2 238.306 1.667 20 0 BDADLO CCN(Cc1ccc(F)c(O)c1)C1C[NH+](C)C1 ZINC001236706902 979706766 /nfs/dbraw/zinc/70/67/66/979706766.db2.gz ATCGOORUWAAUFJ-UHFFFAOYSA-N 1 2 238.306 1.667 20 0 BDADLO c1ncn(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC001236886936 979780922 /nfs/dbraw/zinc/78/09/22/979780922.db2.gz PRAALEAYFXLDPD-UHFFFAOYSA-N 1 2 244.298 1.100 20 0 BDADLO c1cc(C[C@@H]2CCCO2)cc(N2CCOCC2)[nH+]1 ZINC001250106747 979808258 /nfs/dbraw/zinc/80/82/58/979808258.db2.gz WQDUETBQILSELC-ZDUSSCGKSA-N 1 2 248.326 1.640 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCn2nccc2C1 ZINC001237181155 979833144 /nfs/dbraw/zinc/83/31/44/979833144.db2.gz DOEARPRJGDFVPJ-UHFFFAOYSA-N 1 2 235.312 1.781 20 0 BDADLO S=C1C=COC1C[N@H+]1CCn2nccc2C1 ZINC001237181155 979833148 /nfs/dbraw/zinc/83/31/48/979833148.db2.gz DOEARPRJGDFVPJ-UHFFFAOYSA-N 1 2 235.312 1.781 20 0 BDADLO COc1ccc(OC)c(C[NH+](C)C)c1F ZINC001237571643 979945683 /nfs/dbraw/zinc/94/56/83/979945683.db2.gz VQSQYGMUFXKXGA-UHFFFAOYSA-N 1 2 213.252 1.905 20 0 BDADLO CCn1c[nH+]cc1CN(C)C1(C)COC1 ZINC001237597714 979953384 /nfs/dbraw/zinc/95/33/84/979953384.db2.gz USRJBAVJOOHRSK-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CC[C@@](C)(O)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184255359 979982906 /nfs/dbraw/zinc/98/29/06/979982906.db2.gz GGIJMXQECYGSFW-CQSZACIVSA-N 1 2 248.326 1.482 20 0 BDADLO COC(=O)CC[N@H+](Cc1nc(C)co1)C1CC1 ZINC001237638065 979985788 /nfs/dbraw/zinc/98/57/88/979985788.db2.gz CAQPRLXBEXHSIX-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO COC(=O)CC[N@@H+](Cc1nc(C)co1)C1CC1 ZINC001237638065 979985800 /nfs/dbraw/zinc/98/58/00/979985800.db2.gz CAQPRLXBEXHSIX-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2nc(C)co2)C1 ZINC001237642613 979992021 /nfs/dbraw/zinc/99/20/21/979992021.db2.gz KWCXVCQVZRDPBC-SECBINFHSA-N 1 2 210.277 1.450 20 0 BDADLO CCc1n[nH]cc1C[N@H+](C)Cc1ccno1 ZINC001237652133 979992820 /nfs/dbraw/zinc/99/28/20/979992820.db2.gz FPBBDUKQGLZWRZ-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](C)Cc1ccno1 ZINC001237652133 979992831 /nfs/dbraw/zinc/99/28/31/979992831.db2.gz FPBBDUKQGLZWRZ-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCc1n[nH]cc1C[N@H+](C)Cc1ccncn1 ZINC001237652893 980015352 /nfs/dbraw/zinc/01/53/52/980015352.db2.gz AMAAGROETRHVTD-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](C)Cc1ccncn1 ZINC001237652893 980015358 /nfs/dbraw/zinc/01/53/58/980015358.db2.gz AMAAGROETRHVTD-UHFFFAOYSA-N 1 2 231.303 1.394 20 0 BDADLO c1cn(C2CC2)c(CN2CCn3c[nH+]cc3C2)n1 ZINC001343171287 980031541 /nfs/dbraw/zinc/03/15/41/980031541.db2.gz TYNNVOJYMDDHJO-UHFFFAOYSA-N 1 2 243.314 1.430 20 0 BDADLO c1cc2c(c(C[N@@H+]3C[C@@H]4C[C@H]3CO4)c1)OCC2 ZINC001237751178 980045895 /nfs/dbraw/zinc/04/58/95/980045895.db2.gz PKEYXTHSIDSDFT-STQMWFEESA-N 1 2 231.295 1.595 20 0 BDADLO c1cc2c(c(C[N@H+]3C[C@@H]4C[C@H]3CO4)c1)OCC2 ZINC001237751178 980045900 /nfs/dbraw/zinc/04/59/00/980045900.db2.gz PKEYXTHSIDSDFT-STQMWFEESA-N 1 2 231.295 1.595 20 0 BDADLO Cc1nc(CN2CCn3c[nH+]cc3C2)ccc1F ZINC001237822539 980070102 /nfs/dbraw/zinc/07/01/02/980070102.db2.gz UGPLZEGJBLEPDN-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2c[nH]ccc2=O)cn1 ZINC001237848381 980095576 /nfs/dbraw/zinc/09/55/76/980095576.db2.gz LRHHXSXEVZUWOJ-UHFFFAOYSA-N 1 2 244.298 1.105 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2c[nH]ccc2=O)cn1 ZINC001237848381 980095586 /nfs/dbraw/zinc/09/55/86/980095586.db2.gz LRHHXSXEVZUWOJ-UHFFFAOYSA-N 1 2 244.298 1.105 20 0 BDADLO CCN(C(=O)[C@H]1CCC[C@H](C)C1)C1C[NH+](C)C1 ZINC001184506972 980099234 /nfs/dbraw/zinc/09/92/34/980099234.db2.gz CPAGANJAXYDJNU-RYUDHWBXSA-N 1 2 238.375 1.975 20 0 BDADLO CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C1C[NH+](C)C1 ZINC001184506970 980099981 /nfs/dbraw/zinc/09/99/81/980099981.db2.gz CPAGANJAXYDJNU-NEPJUHHUSA-N 1 2 238.375 1.975 20 0 BDADLO COc1ccoc1CN1CCc2c([nH+]cn2C)C1 ZINC001237873668 980108914 /nfs/dbraw/zinc/10/89/14/980108914.db2.gz GWPKUJIXQJQKBI-UHFFFAOYSA-N 1 2 247.298 1.580 20 0 BDADLO CCOC(=O)c1ccccc1C[NH+]1CC(CO)C1 ZINC001237887529 980110357 /nfs/dbraw/zinc/11/03/57/980110357.db2.gz UFNGEPJZLHPGIL-UHFFFAOYSA-N 1 2 249.310 1.287 20 0 BDADLO Cc1[nH]c(C[NH2+][C@@H](CC(=O)[O-])C2CC2)c(C)[nH+]1 ZINC001607950421 980144317 /nfs/dbraw/zinc/14/43/17/980144317.db2.gz NXZWKNLEJCXRLM-JTQLQIEISA-N 1 2 237.303 1.369 20 0 BDADLO CC[N@H+](Cc1nocc1C)[C@H](C)CNC(C)=O ZINC001151429754 980150573 /nfs/dbraw/zinc/15/05/73/980150573.db2.gz HNUQUFWRVPFQDJ-SNVBAGLBSA-N 1 2 239.319 1.330 20 0 BDADLO CC[N@@H+](Cc1nocc1C)[C@H](C)CNC(C)=O ZINC001151429754 980150580 /nfs/dbraw/zinc/15/05/80/980150580.db2.gz HNUQUFWRVPFQDJ-SNVBAGLBSA-N 1 2 239.319 1.330 20 0 BDADLO Nc1ccnc(F)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001238148803 980174730 /nfs/dbraw/zinc/17/47/30/980174730.db2.gz CCEOALJUUCZLLZ-GHMZBOCLSA-N 1 2 237.278 1.166 20 0 BDADLO Nc1ccnc(F)c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001238148803 980174733 /nfs/dbraw/zinc/17/47/33/980174733.db2.gz CCEOALJUUCZLLZ-GHMZBOCLSA-N 1 2 237.278 1.166 20 0 BDADLO C[N@H+](Cc1c(N)ccnc1F)[C@H]1CCCOC1 ZINC001238156358 980182672 /nfs/dbraw/zinc/18/26/72/980182672.db2.gz LDGIXOKPUMXCMN-VIFPVBQESA-N 1 2 239.294 1.414 20 0 BDADLO C[N@@H+](Cc1c(N)ccnc1F)[C@H]1CCCOC1 ZINC001238156358 980182687 /nfs/dbraw/zinc/18/26/87/980182687.db2.gz LDGIXOKPUMXCMN-VIFPVBQESA-N 1 2 239.294 1.414 20 0 BDADLO C[C@@H]([NH3+])CONC(=O)[C@H](C)c1cccs1 ZINC001343798645 980246024 /nfs/dbraw/zinc/24/60/24/980246024.db2.gz PFUDNXDWNRQCBO-HTQZYQBOSA-N 1 2 228.317 1.247 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ncc(C)cc2C)C1 ZINC001238434028 980263281 /nfs/dbraw/zinc/26/32/81/980263281.db2.gz YCDLGQCQWFKCCD-UHFFFAOYSA-N 1 2 248.326 1.693 20 0 BDADLO COc1cc(C)cc(F)c1C[NH+]1CC(CO)C1 ZINC001238591518 980296677 /nfs/dbraw/zinc/29/66/77/980296677.db2.gz MAVNGASNRBSZBG-UHFFFAOYSA-N 1 2 239.290 1.567 20 0 BDADLO Cc1ocnc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344108835 980348123 /nfs/dbraw/zinc/34/81/23/980348123.db2.gz UAHHWQQUQARMLH-UHFFFAOYSA-N 1 2 249.270 1.772 20 0 BDADLO C[C@H](C(=O)N(C)CCCCCO)n1cc[nH+]c1 ZINC001344117429 980352835 /nfs/dbraw/zinc/35/28/35/980352835.db2.gz YBQBBHLQZITXAO-LLVKDONJSA-N 1 2 239.319 1.065 20 0 BDADLO Cc1cc(CC(=O)OCc2c[nH+]cn2C)no1 ZINC001344121361 980353214 /nfs/dbraw/zinc/35/32/14/980353214.db2.gz IJACNEAMZMZKNF-UHFFFAOYSA-N 1 2 235.243 1.002 20 0 BDADLO CCOCCC(=O)OCCCc1c[nH+]cn1C ZINC001344916266 980501112 /nfs/dbraw/zinc/50/11/12/980501112.db2.gz FCLGKKPBBMQLFB-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCC=N1 ZINC001187352750 980517919 /nfs/dbraw/zinc/51/79/19/980517919.db2.gz VTXHNNAZCHCFQC-VIFPVBQESA-N 1 2 228.255 1.506 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC=N1 ZINC001187354302 980522064 /nfs/dbraw/zinc/52/20/64/980522064.db2.gz JDAGHHYIHVFPDS-JTQLQIEISA-N 1 2 228.255 1.506 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345330014 980596050 /nfs/dbraw/zinc/59/60/50/980596050.db2.gz IUJFKMVRZDMQDC-NXEZZACHSA-N 1 2 238.287 1.196 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c3c2CCC3)c[nH]1 ZINC001188189520 980615378 /nfs/dbraw/zinc/61/53/78/980615378.db2.gz RACDMWPSVWNIBO-UHFFFAOYSA-N 1 2 241.294 1.881 20 0 BDADLO CCn1c[nH+]cc1COC(=O)Cc1cnc(C)o1 ZINC001345610326 980646603 /nfs/dbraw/zinc/64/66/03/980646603.db2.gz WFAFSQRKXRVQDK-UHFFFAOYSA-N 1 2 249.270 1.485 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cccc(F)n2)[nH+]1 ZINC001188719726 980700333 /nfs/dbraw/zinc/70/03/33/980700333.db2.gz BPFLXUSYYNKHKH-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO CCOCCCC(=O)OCc1c[nH+]cn1CC ZINC001345996690 980727256 /nfs/dbraw/zinc/72/72/56/980727256.db2.gz SKNVFSRNCOWKGL-UHFFFAOYSA-N 1 2 240.303 1.763 20 0 BDADLO COC(=O)Cc1cccc(CCn2cc[nH+]c2)c1 ZINC001250318370 980758756 /nfs/dbraw/zinc/75/87/56/980758756.db2.gz FDYSUYFXMIUUDY-UHFFFAOYSA-N 1 2 244.294 1.841 20 0 BDADLO Cc1noc(C)c1[C@@H](C)Nc1cc(N)nc[nH+]1 ZINC000156817130 980794020 /nfs/dbraw/zinc/79/40/20/980794020.db2.gz OOZGHRWQBUMKRS-ZCFIWIBFSA-N 1 2 233.275 1.837 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)C1CC1)c1noc(C(F)F)n1 ZINC001346312152 980809198 /nfs/dbraw/zinc/80/91/98/980809198.db2.gz ISVYFIYRKOQSAA-FSPLSTOPSA-N 1 2 247.245 1.429 20 0 BDADLO CC(C)C(NC(=O)C[C@H]([NH3+])C(F)F)C(C)C ZINC001346397301 980825007 /nfs/dbraw/zinc/82/50/07/980825007.db2.gz YSDKHQUYDOSSGZ-QMMMGPOBSA-N 1 2 236.306 1.766 20 0 BDADLO Cc1nc(N2C[C@@H](F)[C@H](F)C2)c(C)c(C)[nH+]1 ZINC000722681903 980826973 /nfs/dbraw/zinc/82/69/73/980826973.db2.gz JVYNCTLTOLIXOS-NXEZZACHSA-N 1 2 227.258 1.898 20 0 BDADLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C1(C)CC1 ZINC001346689595 980886812 /nfs/dbraw/zinc/88/68/12/980886812.db2.gz YSFUYVGRDIFPLE-SNVBAGLBSA-N 1 2 248.330 1.597 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001346823098 980917107 /nfs/dbraw/zinc/91/71/07/980917107.db2.gz MWJQISBNPKLZQQ-VXGBXAGGSA-N 1 2 234.299 1.566 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccnn1C ZINC001346867053 980923353 /nfs/dbraw/zinc/92/33/53/980923353.db2.gz FMIRSDBRZFSHMV-UTLUCORTSA-N 1 2 246.318 1.368 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](CO)CC(C)C)n[nH]1 ZINC001347234012 981016716 /nfs/dbraw/zinc/01/67/16/981016716.db2.gz JCKFMQPSVOQMQN-GFCCVEGCSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](CO)CC(C)C)n[nH]1 ZINC001347234012 981016717 /nfs/dbraw/zinc/01/67/17/981016717.db2.gz JCKFMQPSVOQMQN-GFCCVEGCSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1cc(-c2cccc(C(N)=O)c2)c[nH+]c1N ZINC001239884655 981020825 /nfs/dbraw/zinc/02/08/25/981020825.db2.gz GVYFOGOZVUGVRK-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH+]ccn2C)nc1 ZINC001347313920 981042822 /nfs/dbraw/zinc/04/28/22/981042822.db2.gz BZTGAOGGVHLDRG-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cc1ccc2[nH]nnc2c1NC(=O)[C@H](C)[NH+](C)C ZINC001347493197 981098187 /nfs/dbraw/zinc/09/81/87/981098187.db2.gz ZCNKDHDNLANKGU-QMMMGPOBSA-N 1 2 247.302 1.155 20 0 BDADLO CCCCCCNC(=O)NC1C[NH+](C)C1 ZINC001191988272 981106218 /nfs/dbraw/zinc/10/62/18/981106218.db2.gz MFHLIHOTONGKAR-UHFFFAOYSA-N 1 2 213.325 1.180 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001347711053 981150704 /nfs/dbraw/zinc/15/07/04/981150704.db2.gz HZXDZTJUTNPPHN-IAZYJMLFSA-N 1 2 233.315 1.125 20 0 BDADLO Cc1cc(-c2cnn(CC(C)(C)O)c2)c[nH+]c1N ZINC001240191290 981151538 /nfs/dbraw/zinc/15/15/38/981151538.db2.gz GYBFEMOLZLBXPQ-UHFFFAOYSA-N 1 2 246.314 1.607 20 0 BDADLO CN(C)c1nccnc1-c1ccc2[nH+]ccn2c1 ZINC001240214258 981162435 /nfs/dbraw/zinc/16/24/35/981162435.db2.gz NBNVALOVTFRCAH-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CN(C)c1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240217688 981166118 /nfs/dbraw/zinc/16/61/18/981166118.db2.gz LXUXLXLATVLJSI-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO Cn1cc(-c2ccc3[nH+]ccn3c2)ccc1=O ZINC001240217630 981166217 /nfs/dbraw/zinc/16/62/17/981166217.db2.gz KUJSQYHBCSPFKI-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCc1ccoc1 ZINC001347831619 981187087 /nfs/dbraw/zinc/18/70/87/981187087.db2.gz LIBXGSVIJQOBKO-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1C=CCC1 ZINC001348119407 981287003 /nfs/dbraw/zinc/28/70/03/981287003.db2.gz AWLPLUDLJCUVQB-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001348186966 981307406 /nfs/dbraw/zinc/30/74/06/981307406.db2.gz CMOYXHORQUVUGS-VXGBXAGGSA-N 1 2 249.358 1.857 20 0 BDADLO C[S@](=O)[C@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC001348361041 981344071 /nfs/dbraw/zinc/34/40/71/981344071.db2.gz ZXNVFSXDCUFJQY-YHAQOWFVSA-N 1 2 224.329 1.793 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cc(C)ncn2)o1 ZINC001348383344 981349944 /nfs/dbraw/zinc/34/99/44/981349944.db2.gz IZBRUAVCXNFLNX-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO CN(C)c1cncc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496063 981415802 /nfs/dbraw/zinc/41/58/02/981415802.db2.gz FUZSHQTXABUUHW-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CNC(=O)c1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001240566493 981483980 /nfs/dbraw/zinc/48/39/80/981483980.db2.gz CEURJSWIBJQFBC-LQIBPGRFSA-N 1 2 216.284 1.922 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC001349498349 981565929 /nfs/dbraw/zinc/56/59/29/981565929.db2.gz BOAJHMIMHHVDGU-ADEWGFFLSA-N 1 2 241.331 1.485 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC001349498351 981566657 /nfs/dbraw/zinc/56/66/57/981566657.db2.gz BOAJHMIMHHVDGU-YUSALJHKSA-N 1 2 241.331 1.485 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[C@H]1F ZINC001349575569 981581266 /nfs/dbraw/zinc/58/12/66/981581266.db2.gz VBEHHSZUTPTISI-DTWKUNHWSA-N 1 2 219.219 1.631 20 0 BDADLO Nc1[nH+]cccc1-c1cnc(C2CC2)nc1 ZINC001240684328 981589242 /nfs/dbraw/zinc/58/92/42/981589242.db2.gz LKHDUQHKAVSSFB-UHFFFAOYSA-N 1 2 212.256 1.998 20 0 BDADLO CCn1cccc(C[NH2+]Cc2ccon2)c1=O ZINC001349597355 981589436 /nfs/dbraw/zinc/58/94/36/981589436.db2.gz XCZVXAPQBUUAHJ-UHFFFAOYSA-N 1 2 233.271 1.146 20 0 BDADLO CCCn1c[nH+]cc1CNCC(F)(F)F ZINC000085185952 981632055 /nfs/dbraw/zinc/63/20/55/981632055.db2.gz SQSJXSOEKMCRDB-UHFFFAOYSA-N 1 2 221.226 1.945 20 0 BDADLO CC(=O)[C@H]1CCCCN1Cc1c[nH+]cn1C ZINC000085191513 981678393 /nfs/dbraw/zinc/67/83/93/981678393.db2.gz CLUAULLIGFENSP-GFCCVEGCSA-N 1 2 221.304 1.364 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cncn1C ZINC000085191513 981678412 /nfs/dbraw/zinc/67/84/12/981678412.db2.gz CLUAULLIGFENSP-GFCCVEGCSA-N 1 2 221.304 1.364 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cncn1C ZINC000085191513 981678442 /nfs/dbraw/zinc/67/84/42/981678442.db2.gz CLUAULLIGFENSP-GFCCVEGCSA-N 1 2 221.304 1.364 20 0 BDADLO Cc1nc(C(=O)Nc2c(C)c[nH+]cc2C)co1 ZINC001349791761 981747232 /nfs/dbraw/zinc/74/72/32/981747232.db2.gz OHJJYDWXLTUTOL-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC(F)(F)F)c1 ZINC001583333333 981811919 /nfs/dbraw/zinc/81/19/19/981811919.db2.gz BNZXOOQSWCEFOV-UHFFFAOYSA-N 1 2 235.209 1.031 20 0 BDADLO CC[C@H](C)COC(=O)N(CC)C1C[NH+](C)C1 ZINC001194795383 981883101 /nfs/dbraw/zinc/88/31/01/981883101.db2.gz DGOOQPJSLALOON-JTQLQIEISA-N 1 2 228.336 1.805 20 0 BDADLO CC[C@@H](C)COC(=O)NCc1c[nH+]cn1C ZINC001194756424 981885947 /nfs/dbraw/zinc/88/59/47/981885947.db2.gz INMANZJQNCETIU-SECBINFHSA-N 1 2 225.292 1.692 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1C(F)F ZINC001350334590 981929259 /nfs/dbraw/zinc/92/92/59/981929259.db2.gz OSXYSBYJYACCOW-IUCAKERBSA-N 1 2 244.241 1.847 20 0 BDADLO O=C(/C=C/c1ccco1)N[C@@H]1CCn2c[nH+]cc21 ZINC001585868879 981954205 /nfs/dbraw/zinc/95/42/05/981954205.db2.gz USHSRAJLTYEHPS-PGLGOXFNSA-N 1 2 243.266 1.751 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1cccnc1 ZINC001587090722 982045779 /nfs/dbraw/zinc/04/57/79/982045779.db2.gz IJYWRVUASBWQDE-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO CC[C@@H](C)OC(=O)NCCc1cn(C)c[nH+]1 ZINC001195130637 982105728 /nfs/dbraw/zinc/10/57/28/982105728.db2.gz GJNFNAGKHWUTQR-SECBINFHSA-N 1 2 225.292 1.487 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccsn1 ZINC001588203006 982121484 /nfs/dbraw/zinc/12/14/84/982121484.db2.gz ZQIQRMQOSICXQG-UHFFFAOYSA-N 1 2 236.300 1.448 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001195156997 982140078 /nfs/dbraw/zinc/14/00/78/982140078.db2.gz NSEGRWZCEPNPTD-GHMZBOCLSA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@@H](C)OC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001195156997 982140085 /nfs/dbraw/zinc/14/00/85/982140085.db2.gz NSEGRWZCEPNPTD-GHMZBOCLSA-N 1 2 244.335 1.232 20 0 BDADLO O=[S@](CC[N@H+]1CC=CCC1)C(F)(F)F ZINC001351182775 982227717 /nfs/dbraw/zinc/22/77/17/982227717.db2.gz CHRLNOFTRINFPS-CQSZACIVSA-N 1 2 227.251 1.517 20 0 BDADLO O=[S@](CC[N@@H+]1CC=CCC1)C(F)(F)F ZINC001351182775 982227726 /nfs/dbraw/zinc/22/77/26/982227726.db2.gz CHRLNOFTRINFPS-CQSZACIVSA-N 1 2 227.251 1.517 20 0 BDADLO CC[C@@H](CO)[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001351319473 982285274 /nfs/dbraw/zinc/28/52/74/982285274.db2.gz IWNDRSJGQYJQBM-LBPRGKRZSA-N 1 2 239.290 1.100 20 0 BDADLO Nc1cc(-c2ccc3c(c2)CC(=O)NC3)cc[nH+]1 ZINC001241169766 982312339 /nfs/dbraw/zinc/31/23/39/982312339.db2.gz BDZUXVPHYSOYTQ-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO Cc1nnc(CC[N@@H+]2Cc3ccncc3C2)o1 ZINC001351437059 982312536 /nfs/dbraw/zinc/31/25/36/982312536.db2.gz QBXOYLOPICRGPV-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1nnc(CC[N@H+]2Cc3ccncc3C2)o1 ZINC001351437059 982312549 /nfs/dbraw/zinc/31/25/49/982312549.db2.gz QBXOYLOPICRGPV-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO COc1ccc(-c2cc[nH+]c(N)c2)c(C(N)=O)c1 ZINC001241170896 982322774 /nfs/dbraw/zinc/32/27/74/982322774.db2.gz WXAMSICJNKIBIY-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO CONC(=O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241176251 982327858 /nfs/dbraw/zinc/32/78/58/982327858.db2.gz XAVPRFXACNIDBX-UHFFFAOYSA-N 1 2 244.254 1.017 20 0 BDADLO COc1nccnc1-c1c[nH+]c(N(C)C)cc1C ZINC001241228463 982381619 /nfs/dbraw/zinc/38/16/19/982381619.db2.gz NGDCDGHYPFFHCS-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO Oc1ccc[nH+]c1NC[C@H](O)C(F)(F)F ZINC001250958191 982383229 /nfs/dbraw/zinc/38/32/29/982383229.db2.gz RGCDULNGZHRLMY-LURJTMIESA-N 1 2 222.166 1.122 20 0 BDADLO C[C@@H](C(=O)NCC(C)(C)C1CC1)n1cc[nH+]c1 ZINC001351833614 982399115 /nfs/dbraw/zinc/39/91/15/982399115.db2.gz HUTFPPKLBPZJPV-JTQLQIEISA-N 1 2 235.331 1.997 20 0 BDADLO CC(C)COC(=O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000847093087 982405178 /nfs/dbraw/zinc/40/51/78/982405178.db2.gz ISPPPZUEKFERFW-JTQLQIEISA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000847093087 982405184 /nfs/dbraw/zinc/40/51/84/982405184.db2.gz ISPPPZUEKFERFW-JTQLQIEISA-N 1 2 229.320 1.031 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCCC12CC2)n1cc[nH+]c1 ZINC001352011322 982435991 /nfs/dbraw/zinc/43/59/91/982435991.db2.gz WGOBZMBYOVPOGE-QWRGUYRKSA-N 1 2 233.315 1.893 20 0 BDADLO C[C@H](C(=O)N1CCC(C)(F)CC1)n1cc[nH+]c1 ZINC001352054782 982449281 /nfs/dbraw/zinc/44/92/81/982449281.db2.gz PAOZHYYVQXGZRH-SNVBAGLBSA-N 1 2 239.294 1.795 20 0 BDADLO CN(C)c1ccc(-c2c[nH+]cn2C)cn1 ZINC001241369509 982530937 /nfs/dbraw/zinc/53/09/37/982530937.db2.gz FBEAEZDVDKGQRB-UHFFFAOYSA-N 1 2 202.261 1.548 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C(=O)[O-] ZINC001589131350 982636047 /nfs/dbraw/zinc/63/60/47/982636047.db2.gz JTBPWTFSLLLSIC-SNVBAGLBSA-N 1 2 245.282 1.435 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001352959985 982648286 /nfs/dbraw/zinc/64/82/86/982648286.db2.gz CMHDYDLSOPMYID-SNVBAGLBSA-N 1 2 233.271 1.662 20 0 BDADLO CC(C)n1cncc1C(=O)NCCn1cc[nH+]c1 ZINC001198100164 982656928 /nfs/dbraw/zinc/65/69/28/982656928.db2.gz BBGFCQQUZSFYIU-UHFFFAOYSA-N 1 2 247.302 1.091 20 0 BDADLO COc1nnc(C[N@H+](C)CC2CCC2)s1 ZINC001198414412 982709049 /nfs/dbraw/zinc/70/90/49/982709049.db2.gz QXPPXPVMSHALAE-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO COc1nnc(C[N@@H+](C)CC2CCC2)s1 ZINC001198414412 982709060 /nfs/dbraw/zinc/70/90/60/982709060.db2.gz QXPPXPVMSHALAE-UHFFFAOYSA-N 1 2 227.333 1.779 20 0 BDADLO CCOc1ncc(/C(C)=C/C=C/[NH3+])cn1 ZINC001241550847 982765345 /nfs/dbraw/zinc/76/53/45/982765345.db2.gz LAXFAXXUHRBEEH-REZHQCRGSA-N 1 2 205.261 1.751 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001198785041 982829072 /nfs/dbraw/zinc/82/90/72/982829072.db2.gz JNIYMJHYAWQOPY-UHFFFAOYSA-N 1 2 230.311 1.219 20 0 BDADLO Cc1nc(N)ncc1-c1ccn2cc[nH+]c2c1 ZINC001241644834 982885943 /nfs/dbraw/zinc/88/59/43/982885943.db2.gz ADKUBTNTUHGFGT-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CN(C)c1ncc(C[NH2+]Cc2nccs2)cn1 ZINC001199563301 982944561 /nfs/dbraw/zinc/94/45/61/982944561.db2.gz DBRUTKIYPPXMDQ-UHFFFAOYSA-N 1 2 249.343 1.289 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccns1 ZINC001353677116 982962123 /nfs/dbraw/zinc/96/21/23/982962123.db2.gz BYGRDJTYUFBJSF-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1nccn1C(F)F ZINC001199791687 983017988 /nfs/dbraw/zinc/01/79/88/983017988.db2.gz AHXDMIQERVIXIT-UHFFFAOYSA-N 1 2 241.245 1.600 20 0 BDADLO CC[C@H](C)NC(=S)Nc1c[nH+]c(C)n1C ZINC001200470677 983031949 /nfs/dbraw/zinc/03/19/49/983031949.db2.gz AMHFCTVGJWAAAE-ZETCQYMHSA-N 1 2 226.349 1.813 20 0 BDADLO CC[C@H](NCc1c[nH+]cn1CC)c1noc(C)n1 ZINC001200951410 983125230 /nfs/dbraw/zinc/12/52/30/983125230.db2.gz LPQZOQYYMMFXTQ-NSHDSACASA-N 1 2 249.318 1.835 20 0 BDADLO Cc1c[nH]c(Nc2cccc(-c3nn[nH]n3)n2)[nH+]1 ZINC001592294160 983136675 /nfs/dbraw/zinc/13/66/75/983136675.db2.gz ZNRQONYMNLAYKK-UHFFFAOYSA-N 1 2 242.246 1.037 20 0 BDADLO Nc1ccc(Nc2ccc3c(c2)C(=O)NC3)c[nH+]1 ZINC001201284237 983155658 /nfs/dbraw/zinc/15/56/58/983155658.db2.gz OPRDNSREZRGCAH-UHFFFAOYSA-N 1 2 240.266 1.651 20 0 BDADLO CC[S@](=O)CCNc1cc(F)cc(C)[nH+]1 ZINC001354109011 983157481 /nfs/dbraw/zinc/15/74/81/983157481.db2.gz LAKSOOFZLRBJPY-HNNXBMFYSA-N 1 2 230.308 1.710 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1ccc2n[nH]nc2c1 ZINC001241941998 983159084 /nfs/dbraw/zinc/15/90/84/983159084.db2.gz HLFPPCVMVUSFON-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO NC(=O)Cc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201291837 983169286 /nfs/dbraw/zinc/16/92/86/983169286.db2.gz FKGGUMVGXBMXCV-UHFFFAOYSA-N 1 2 242.282 1.435 20 0 BDADLO Fc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)nn1 ZINC001354129178 983169839 /nfs/dbraw/zinc/16/98/39/983169839.db2.gz CMUNWRIOEOZGCT-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO COc1cc(CO)ccc1Nc1ccc(N)[nH+]c1 ZINC001201293012 983171612 /nfs/dbraw/zinc/17/16/12/983171612.db2.gz VMGUMAOBSHUSIL-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO NC(=O)c1sccc1Nc1ccc(N)[nH+]c1 ZINC001201272408 983173110 /nfs/dbraw/zinc/17/31/10/983173110.db2.gz NKUXLLBNFPXZQP-UHFFFAOYSA-N 1 2 234.284 1.568 20 0 BDADLO Cc1cncc(Nc2ccc(N)[nH+]c2)n1 ZINC001201271766 983174008 /nfs/dbraw/zinc/17/40/08/983174008.db2.gz BEDGYIWYRQWEGL-UHFFFAOYSA-N 1 2 201.233 1.506 20 0 BDADLO COc1ccc(Nc2ccc(N)[nH+]c2)c(OC)n1 ZINC001201275895 983174956 /nfs/dbraw/zinc/17/49/56/983174956.db2.gz MNLCQUWAQZFZLO-UHFFFAOYSA-N 1 2 246.270 1.820 20 0 BDADLO COC(=O)c1ccc(Nc2ccc(N)[nH+]c2)o1 ZINC001201275729 983176728 /nfs/dbraw/zinc/17/67/28/983176728.db2.gz KHPDBIXKEQCNMK-UHFFFAOYSA-N 1 2 233.227 1.787 20 0 BDADLO COc1ccc(N)c(Nc2ccc(N)[nH+]c2)n1 ZINC001201276225 983177150 /nfs/dbraw/zinc/17/71/50/983177150.db2.gz QGMQGHHIAKDMFJ-UHFFFAOYSA-N 1 2 231.259 1.393 20 0 BDADLO Cc1cnn(C2COC2)c1Nc1ccc(N)[nH+]c1 ZINC001201278822 983177922 /nfs/dbraw/zinc/17/79/22/983177922.db2.gz HFZIBXAHOOCTMV-UHFFFAOYSA-N 1 2 245.286 1.484 20 0 BDADLO Nc1ccc(Nc2nc(Cl)cnc2N)c[nH+]1 ZINC001201278334 983179462 /nfs/dbraw/zinc/17/94/62/983179462.db2.gz HUYHDPUAMXBKBZ-UHFFFAOYSA-N 1 2 236.666 1.433 20 0 BDADLO C[C@H](C[NH2+]C1CCC(CC(=O)[O-])CC1)[NH+](C)C ZINC001592707260 983193575 /nfs/dbraw/zinc/19/35/75/983193575.db2.gz XBQKHEYTTSMDFJ-VOMCLLRMSA-N 1 2 242.363 1.560 20 0 BDADLO Cc1[nH+]cn(-c2ccc(-c3ncc[nH]3)nn2)c1C ZINC001242015688 983213419 /nfs/dbraw/zinc/21/34/19/983213419.db2.gz GMPVEYOCKWYYFX-UHFFFAOYSA-N 1 2 240.270 1.669 20 0 BDADLO C[C@@H]1Oc2ccc(-c3[nH]cc[nH+]3)cc2NC1=O ZINC001242015705 983213574 /nfs/dbraw/zinc/21/35/74/983213574.db2.gz LVLHRHSUFLVDBB-ZETCQYMHSA-N 1 2 229.239 1.796 20 0 BDADLO CC(C)(C)C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001201426052 983223625 /nfs/dbraw/zinc/22/36/25/983223625.db2.gz DQHZSZGSNSSHIN-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)(C)C[N@H+]1CC(F)(F)C[C@H]1CO ZINC001201426052 983223633 /nfs/dbraw/zinc/22/36/33/983223633.db2.gz DQHZSZGSNSSHIN-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO O=c1ccc(-c2c[nH+]c3c(c2)CCCN3)c[nH]1 ZINC001242066210 983291110 /nfs/dbraw/zinc/29/11/10/983291110.db2.gz FRSWAPCJPKYHKH-UHFFFAOYSA-N 1 2 227.267 1.850 20 0 BDADLO C[C@]1(CNC(=O)C[C@@H]([NH3+])C(F)F)C[C@H]2C[C@H]2C1 ZINC001354424806 983305482 /nfs/dbraw/zinc/30/54/82/983305482.db2.gz ZRDAVNTWPTXVOS-SREGZZRCSA-N 1 2 246.301 1.521 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc(N)cc1F ZINC001242072298 983308033 /nfs/dbraw/zinc/30/80/33/983308033.db2.gz IGGLEHJDBPWDSI-UHFFFAOYSA-N 1 2 218.235 1.756 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001354482926 983313515 /nfs/dbraw/zinc/31/35/15/983313515.db2.gz FYJZDAIJEIEBPD-RDQDRAATSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001354482926 983313522 /nfs/dbraw/zinc/31/35/22/983313522.db2.gz FYJZDAIJEIEBPD-RDQDRAATSA-N 1 2 241.331 1.463 20 0 BDADLO COCc1ccc(-c2c[nH+]c(N)cc2C)nn1 ZINC001242078081 983326359 /nfs/dbraw/zinc/32/63/59/983326359.db2.gz RDFVKDUDDGIXDX-UHFFFAOYSA-N 1 2 230.271 1.576 20 0 BDADLO Cc1ccc(C(N)=O)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242078770 983328227 /nfs/dbraw/zinc/32/82/27/983328227.db2.gz QHXSKIFENWNZAK-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO CCC[C@H](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001354608543 983334134 /nfs/dbraw/zinc/33/41/34/983334134.db2.gz XGCZUZFPOLXVLT-DTWKUNHWSA-N 1 2 236.306 1.911 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cn2ncnc2cn1 ZINC001242085579 983335763 /nfs/dbraw/zinc/33/57/63/983335763.db2.gz YDYPJEHOZWNTBL-UHFFFAOYSA-N 1 2 226.243 1.077 20 0 BDADLO CCN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001201589993 983349082 /nfs/dbraw/zinc/34/90/82/983349082.db2.gz GELQTKDCAIOEMX-JTQLQIEISA-N 1 2 218.291 1.812 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2CO)cc1 ZINC001355063225 983405399 /nfs/dbraw/zinc/40/53/99/983405399.db2.gz YWVKWCMYILVTBM-GFCCVEGCSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]2CO)cc1 ZINC001355063225 983405406 /nfs/dbraw/zinc/40/54/06/983405406.db2.gz YWVKWCMYILVTBM-GFCCVEGCSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1cc(C)c(NC(=O)[C@H]2COC(=O)N2)c(C)[nH+]1 ZINC001355891354 983546462 /nfs/dbraw/zinc/54/64/62/983546462.db2.gz JXECZGJBNZOKQX-SECBINFHSA-N 1 2 249.270 1.054 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(CCC(F)(F)F)C2)C1 ZINC001202345530 983625165 /nfs/dbraw/zinc/62/51/65/983625165.db2.gz FIJGEYJENOVRFD-QMMMGPOBSA-N 1 2 240.244 1.667 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(CCC(F)(F)F)C2)C1 ZINC001202345530 983625173 /nfs/dbraw/zinc/62/51/73/983625173.db2.gz FIJGEYJENOVRFD-QMMMGPOBSA-N 1 2 240.244 1.667 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001252106615 983646344 /nfs/dbraw/zinc/64/63/44/983646344.db2.gz ONUIPYIKYBHDCO-WDEREUQCSA-N 1 2 245.363 1.715 20 0 BDADLO FC(F)(F)CCC[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001202425083 983656482 /nfs/dbraw/zinc/65/64/82/983656482.db2.gz UWZWFFBWZWZFFT-OCAPTIKFSA-N 1 2 209.211 1.802 20 0 BDADLO FC(F)(F)CCC[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001202425083 983656485 /nfs/dbraw/zinc/65/64/85/983656485.db2.gz UWZWFFBWZWZFFT-OCAPTIKFSA-N 1 2 209.211 1.802 20 0 BDADLO CCc1nc(C[NH2+]Cc2c[nH]nc2C)co1 ZINC001202436641 983660383 /nfs/dbraw/zinc/66/03/83/983660383.db2.gz XAGQNPLNEJJLIT-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO FC(F)(F)CCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001202442002 983663805 /nfs/dbraw/zinc/66/38/05/983663805.db2.gz JUWCXDPQPKCJPJ-SFYZADRCSA-N 1 2 209.211 1.802 20 0 BDADLO FC(F)(F)CCC[N@H+]1CCO[C@H]2C[C@H]21 ZINC001202442002 983663813 /nfs/dbraw/zinc/66/38/13/983663813.db2.gz JUWCXDPQPKCJPJ-SFYZADRCSA-N 1 2 209.211 1.802 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(-n2ccnn2)cc1 ZINC001242415259 983725945 /nfs/dbraw/zinc/72/59/45/983725945.db2.gz LNFWKJPQAMWKSL-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO Cn1c[nH+]c2ccc(NCC(C)(C)O)cc21 ZINC001252360659 983746793 /nfs/dbraw/zinc/74/67/93/983746793.db2.gz NCHLDVQGMHHWOG-UHFFFAOYSA-N 1 2 219.288 1.756 20 0 BDADLO Cc1cc(OCc2ccc[nH+]c2N)nnc1C ZINC000853666538 983767391 /nfs/dbraw/zinc/76/73/91/983767391.db2.gz OTEQXEKHOBRCJD-UHFFFAOYSA-N 1 2 230.271 1.650 20 0 BDADLO Cn1ccc(-c2ccn3cc(N)[nH+]c3c2)n1 ZINC001242459021 983771221 /nfs/dbraw/zinc/77/12/21/983771221.db2.gz QEBFYRNEJYPYPK-UHFFFAOYSA-N 1 2 213.244 1.317 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137051253 983783867 /nfs/dbraw/zinc/78/38/67/983783867.db2.gz KANWKOKTVDRUEU-UHFFFAOYSA-N 1 2 234.274 1.874 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC12CC2 ZINC001357819346 983784029 /nfs/dbraw/zinc/78/40/29/983784029.db2.gz MAKBJGOLMRGFCV-SECBINFHSA-N 1 2 206.245 1.263 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCOCC3)n[nH]1 ZINC001137129150 983961574 /nfs/dbraw/zinc/96/15/74/983961574.db2.gz VFTVDMJRYCMEJW-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO CC(=O)c1cc(-c2c[nH+]cn2C)ccn1 ZINC001242609461 983971907 /nfs/dbraw/zinc/97/19/07/983971907.db2.gz LRADYPULNSXKMH-UHFFFAOYSA-N 1 2 201.229 1.685 20 0 BDADLO COCCOC1C[NH+](Cc2cc(C)cs2)C1 ZINC001137161609 984007229 /nfs/dbraw/zinc/00/72/29/984007229.db2.gz KOPNQDFJPCBLLF-UHFFFAOYSA-N 1 2 241.356 1.904 20 0 BDADLO CC[NH2+]C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001274759523 984373935 /nfs/dbraw/zinc/37/39/35/984373935.db2.gz CBUXASDGTFMMPH-RITPCOANSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+]C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001274759523 984373945 /nfs/dbraw/zinc/37/39/45/984373945.db2.gz CBUXASDGTFMMPH-RITPCOANSA-N 1 2 230.205 1.001 20 0 BDADLO Cc1cccc(O)c1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001275101684 984484647 /nfs/dbraw/zinc/48/46/47/984484647.db2.gz CZJBODQQWWJUKO-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1cccc(O)c1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001275101684 984484663 /nfs/dbraw/zinc/48/46/63/984484663.db2.gz CZJBODQQWWJUKO-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)N(C)CCO2 ZINC001243073084 984508492 /nfs/dbraw/zinc/50/84/92/984508492.db2.gz YHXFQVLMUPEENR-UHFFFAOYSA-N 1 2 229.283 1.916 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@H]1C ZINC001445432387 984594601 /nfs/dbraw/zinc/59/46/01/984594601.db2.gz RZZHMCSQUWIIAE-WCBMZHEXSA-N 1 2 221.304 1.518 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC(C)(C)C1 ZINC001446275773 984632741 /nfs/dbraw/zinc/63/27/41/984632741.db2.gz RZNMAELAMGPSAK-JTQLQIEISA-N 1 2 235.331 1.956 20 0 BDADLO Cc1cc(O)ccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001275930489 984726831 /nfs/dbraw/zinc/72/68/31/984726831.db2.gz RLNNPRQNTUDGQA-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO Cc1cc(O)ccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001275930489 984726858 /nfs/dbraw/zinc/72/68/58/984726858.db2.gz RLNNPRQNTUDGQA-UHFFFAOYSA-N 1 2 246.310 1.231 20 0 BDADLO CCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095463137 984816318 /nfs/dbraw/zinc/81/63/18/984816318.db2.gz QZSVXINVOORAGT-UHFFFAOYSA-N 1 2 236.319 1.138 20 0 BDADLO CS[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001278362641 984827945 /nfs/dbraw/zinc/82/79/45/984827945.db2.gz GJCNNAMHHIDJAC-GXSJLCMTSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001278362641 984827947 /nfs/dbraw/zinc/82/79/47/984827947.db2.gz GJCNNAMHHIDJAC-GXSJLCMTSA-N 1 2 248.367 1.288 20 0 BDADLO Cc1nc(C)c(CN2CC3(CC[N@H+]3C)C2)s1 ZINC001276266476 984837645 /nfs/dbraw/zinc/83/76/45/984837645.db2.gz CFLDNSMLMRKJTL-UHFFFAOYSA-N 1 2 237.372 1.650 20 0 BDADLO Cc1nc(C)c(CN2CC3(CC[N@@H+]3C)C2)s1 ZINC001276266476 984837651 /nfs/dbraw/zinc/83/76/51/984837651.db2.gz CFLDNSMLMRKJTL-UHFFFAOYSA-N 1 2 237.372 1.650 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC3(CCN3C)C2)s1 ZINC001276266476 984837659 /nfs/dbraw/zinc/83/76/59/984837659.db2.gz CFLDNSMLMRKJTL-UHFFFAOYSA-N 1 2 237.372 1.650 20 0 BDADLO CCC(CC)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257301133 984874523 /nfs/dbraw/zinc/87/45/23/984874523.db2.gz QQFJWHLLNPSNEP-VIFPVBQESA-N 1 2 207.264 1.877 20 0 BDADLO CCS(=O)(CC)=NC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001578213230 984870786 /nfs/dbraw/zinc/87/07/86/984870786.db2.gz QCHLWWVIPPRQFP-KOLCDFICSA-N 1 2 244.360 1.163 20 0 BDADLO CCC(CC)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257301133 984874520 /nfs/dbraw/zinc/87/45/20/984874520.db2.gz QQFJWHLLNPSNEP-VIFPVBQESA-N 1 2 207.264 1.877 20 0 BDADLO Cc1ccn(C)c1C(=O)NCCc1cn(C)c[nH+]1 ZINC001451038925 984879033 /nfs/dbraw/zinc/87/90/33/984879033.db2.gz FUIKHXREOPPHNQ-UHFFFAOYSA-N 1 2 246.314 1.040 20 0 BDADLO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC001578234376 984886415 /nfs/dbraw/zinc/88/64/15/984886415.db2.gz XAYHYPLTXDMYIR-VQVTYTSYSA-N 1 2 242.216 1.144 20 0 BDADLO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001578234376 984886425 /nfs/dbraw/zinc/88/64/25/984886425.db2.gz XAYHYPLTXDMYIR-VQVTYTSYSA-N 1 2 242.216 1.144 20 0 BDADLO CCc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)nc1 ZINC001578260811 984915030 /nfs/dbraw/zinc/91/50/30/984915030.db2.gz CGUXMLOJCJUPMG-VIFPVBQESA-N 1 2 237.328 1.245 20 0 BDADLO NC(=O)c1cc(-c2ccc[nH+]c2N)ccc1F ZINC001243473971 985020274 /nfs/dbraw/zinc/02/02/74/985020274.db2.gz QHRSIUIOHRAPAQ-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO CCc1ncncc1-c1ccc[nH+]c1N ZINC001243474231 985024974 /nfs/dbraw/zinc/02/49/74/985024974.db2.gz UQKWZRJDJYEBPV-UHFFFAOYSA-N 1 2 200.245 1.683 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)C=C1CCC1)CC2 ZINC001454533210 985036390 /nfs/dbraw/zinc/03/63/90/985036390.db2.gz DRHNJFJGLALYEJ-UHFFFAOYSA-N 1 2 243.310 1.659 20 0 BDADLO Cc1cc(-c2ccc[nH+]c2N)cn(C)c1=O ZINC001243477464 985036948 /nfs/dbraw/zinc/03/69/48/985036948.db2.gz PNZKMCUGMIIUEI-UHFFFAOYSA-N 1 2 215.256 1.338 20 0 BDADLO COCCOc1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243477042 985038917 /nfs/dbraw/zinc/03/89/17/985038917.db2.gz HMHMNSLGLZMSAS-UHFFFAOYSA-N 1 2 245.282 1.751 20 0 BDADLO CCCCC[C@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001257500825 985127002 /nfs/dbraw/zinc/12/70/02/985127002.db2.gz ZMSKILGFVAZUCB-QWRGUYRKSA-N 1 2 231.336 1.469 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)[C@H]1C[C@H]1F ZINC001456245271 985130315 /nfs/dbraw/zinc/13/03/15/985130315.db2.gz WENQHFIPWRHSNE-JGVFFNPUSA-N 1 2 237.278 1.263 20 0 BDADLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)[C@@H]1C[C@@H]1F ZINC001456245275 985130374 /nfs/dbraw/zinc/13/03/74/985130374.db2.gz WENQHFIPWRHSNE-SFYZADRCSA-N 1 2 237.278 1.263 20 0 BDADLO O=c1cccc(-c2c[nH+]c3c(c2)CCCN3)[nH]1 ZINC001243738301 985273337 /nfs/dbraw/zinc/27/33/37/985273337.db2.gz OVPCEJZWBXNUDE-UHFFFAOYSA-N 1 2 227.267 1.850 20 0 BDADLO Cc1ccnc(C[N@@H+](C[C@@H](C)O)C2CC2)n1 ZINC000692138606 985573534 /nfs/dbraw/zinc/57/35/34/985573534.db2.gz KQSDJTCLDWEJAK-SNVBAGLBSA-N 1 2 221.304 1.130 20 0 BDADLO Cc1ccnc(C[N@H+](C[C@@H](C)O)C2CC2)n1 ZINC000692138606 985573571 /nfs/dbraw/zinc/57/35/71/985573571.db2.gz KQSDJTCLDWEJAK-SNVBAGLBSA-N 1 2 221.304 1.130 20 0 BDADLO c1cnc2c(ccnc2C2=C[NH2+]CCC2)n1 ZINC001243946975 985620641 /nfs/dbraw/zinc/62/06/41/985620641.db2.gz BFJILWRMVLSKJG-UHFFFAOYSA-N 1 2 212.256 1.749 20 0 BDADLO CC(=O)Nc1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243948683 985626890 /nfs/dbraw/zinc/62/68/90/985626890.db2.gz CYQWEINZJBRKOW-UHFFFAOYSA-N 1 2 218.260 1.159 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(\C)C(=O)OC)C[C@@H](C)O1 ZINC000689103285 985801095 /nfs/dbraw/zinc/80/10/95/985801095.db2.gz REHPUPHPPLTKLW-QEFZOKHDSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)OC)C[C@@H](C)O1 ZINC000689103285 985801098 /nfs/dbraw/zinc/80/10/98/985801098.db2.gz REHPUPHPPLTKLW-QEFZOKHDSA-N 1 2 241.331 1.605 20 0 BDADLO Cc1cccnc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC001460221546 985807812 /nfs/dbraw/zinc/80/78/12/985807812.db2.gz COCNPOMTENNFMG-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3ccno3)C2)n[nH]1 ZINC001460252930 985817125 /nfs/dbraw/zinc/81/71/25/985817125.db2.gz JNTFYPKMAFXWII-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccno3)C2)n[nH]1 ZINC001460252930 985817127 /nfs/dbraw/zinc/81/71/27/985817127.db2.gz JNTFYPKMAFXWII-VIFPVBQESA-N 1 2 233.275 1.091 20 0 BDADLO CCCn1c[nH+]cc1CN1C[C@H](C)OC[C@@H]1C ZINC001461887793 986216870 /nfs/dbraw/zinc/21/68/70/986216870.db2.gz KPJVTXKGJYHISB-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)(C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000381616434 986305877 /nfs/dbraw/zinc/30/58/77/986305877.db2.gz YOWZVOYKOFZCFS-UHFFFAOYSA-N 1 2 222.288 1.974 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1ccc(O)c(F)c1F ZINC001462201776 986307224 /nfs/dbraw/zinc/30/72/24/986307224.db2.gz SXLBHHHXMHXCAP-SSDOTTSWSA-N 1 2 231.242 1.483 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1ccc(O)c(F)c1F ZINC001462201776 986307231 /nfs/dbraw/zinc/30/72/31/986307231.db2.gz SXLBHHHXMHXCAP-SSDOTTSWSA-N 1 2 231.242 1.483 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2csnc2C)C1 ZINC001042630095 986329117 /nfs/dbraw/zinc/32/91/17/986329117.db2.gz XKVZUDVTYPSAPL-UHFFFAOYSA-N 1 2 239.344 1.228 20 0 BDADLO COc1cc[nH+]cc1NC[C@@H](O)C(C)(C)C ZINC001253718861 986338081 /nfs/dbraw/zinc/33/80/81/986338081.db2.gz XPUKFGQOFIDBCL-LLVKDONJSA-N 1 2 224.304 1.909 20 0 BDADLO CCc1ncc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC001462311859 986347141 /nfs/dbraw/zinc/34/71/41/986347141.db2.gz HCYPYGYWFXTTBY-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCc1ncc(C[N@H+]2CCn3cncc3C2)cn1 ZINC001462311859 986347150 /nfs/dbraw/zinc/34/71/50/986347150.db2.gz HCYPYGYWFXTTBY-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CC(C)[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001253756626 986380889 /nfs/dbraw/zinc/38/08/89/986380889.db2.gz IEYLNGANSXQBKU-LLVKDONJSA-N 1 2 219.288 1.763 20 0 BDADLO COc1ncc(/C(C)=C/C=C/[NH3+])cc1O ZINC001244845046 986391973 /nfs/dbraw/zinc/39/19/73/986391973.db2.gz HKTVKPZNRHFGAQ-MSLMYCKWSA-N 1 2 206.245 1.672 20 0 BDADLO COc1ncc(-c2cc[nH+]c3c2CCN3)cc1O ZINC001244849068 986395809 /nfs/dbraw/zinc/39/58/09/986395809.db2.gz VQFBXWWTADKVGS-UHFFFAOYSA-N 1 2 243.266 1.826 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001260735078 986442391 /nfs/dbraw/zinc/44/23/91/986442391.db2.gz FIBJWCUCMLVIBA-JTQLQIEISA-N 1 2 248.392 1.141 20 0 BDADLO CC[C@H](C)S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001260735078 986442399 /nfs/dbraw/zinc/44/23/99/986442399.db2.gz FIBJWCUCMLVIBA-JTQLQIEISA-N 1 2 248.392 1.141 20 0 BDADLO CC1CC([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001462684277 986500773 /nfs/dbraw/zinc/50/07/73/986500773.db2.gz AKQYNGVQMWTWRJ-UHFFFAOYSA-N 1 2 234.225 1.712 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113885 986537584 /nfs/dbraw/zinc/53/75/84/986537584.db2.gz DKJBQXKQUIODSD-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113885 986537596 /nfs/dbraw/zinc/53/75/96/986537596.db2.gz DKJBQXKQUIODSD-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO CNc1cc(-c2ccnc(C(N)=O)c2)cc[nH+]1 ZINC001244971034 986543818 /nfs/dbraw/zinc/54/38/18/986543818.db2.gz DVPRDBWCBRCRQJ-UHFFFAOYSA-N 1 2 228.255 1.284 20 0 BDADLO CNc1cc(-c2ccnc3c2CC(=O)N3)cc[nH+]1 ZINC001244973592 986553840 /nfs/dbraw/zinc/55/38/40/986553840.db2.gz PHJZXFUTNUPSRI-UHFFFAOYSA-N 1 2 240.266 1.680 20 0 BDADLO Cc1[nH]c([C@@H]2CCCN2C(=O)N(C)C)[nH+]c1C ZINC001464516553 986637146 /nfs/dbraw/zinc/63/71/46/986637146.db2.gz MRAIETLTDVCWEH-JTQLQIEISA-N 1 2 236.319 1.845 20 0 BDADLO c1ncc2c(n1)C[N@H+](C[C@H]1CCCOC1)C2 ZINC000585332399 986649309 /nfs/dbraw/zinc/64/93/09/986649309.db2.gz VWVABZKCVAQXHU-SNVBAGLBSA-N 1 2 219.288 1.219 20 0 BDADLO c1ncc2c(n1)C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000585332399 986649320 /nfs/dbraw/zinc/64/93/20/986649320.db2.gz VWVABZKCVAQXHU-SNVBAGLBSA-N 1 2 219.288 1.219 20 0 BDADLO Cc1c(CN2CC(F)(CO)C2)[nH+]c2ccccn12 ZINC001137268044 986709892 /nfs/dbraw/zinc/70/98/92/986709892.db2.gz OKLFBFNZOSDNDE-UHFFFAOYSA-N 1 2 249.289 1.159 20 0 BDADLO CC(C)CCCCNC(=O)Cc1c[nH+]cn1C ZINC001465320698 986710384 /nfs/dbraw/zinc/71/03/84/986710384.db2.gz VRRZUVDKDWIPHZ-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO O=S1(=O)CC=C(c2cccc3[nH+]ccn32)CC1 ZINC001245209499 986728368 /nfs/dbraw/zinc/72/83/68/986728368.db2.gz VZOLLXVQIAYEOZ-UHFFFAOYSA-N 1 2 248.307 1.536 20 0 BDADLO COCn1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001245219491 986739660 /nfs/dbraw/zinc/73/96/60/986739660.db2.gz SGSPQFLHARNKDY-UHFFFAOYSA-N 1 2 228.255 1.802 20 0 BDADLO COCn1cc(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001245221717 986749115 /nfs/dbraw/zinc/74/91/15/986749115.db2.gz YPKQUSDPTHUDMM-UHFFFAOYSA-N 1 2 243.270 1.384 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)c(C)c1O ZINC001465903143 986752133 /nfs/dbraw/zinc/75/21/33/986752133.db2.gz KRGJFOIEWQTIDF-UHFFFAOYSA-N 1 2 245.282 1.913 20 0 BDADLO O=C1C[C@H]2CC([N@H+]3C[C@@H](F)[C@@H](F)C3)C[C@@H]2C1 ZINC001254944678 986754072 /nfs/dbraw/zinc/75/40/72/986754072.db2.gz CTPUMARSKAAWRZ-VNOQCFOKSA-N 1 2 229.270 1.736 20 0 BDADLO O=C1C[C@H]2CC([N@@H+]3C[C@@H](F)[C@@H](F)C3)C[C@@H]2C1 ZINC001254944678 986754084 /nfs/dbraw/zinc/75/40/84/986754084.db2.gz CTPUMARSKAAWRZ-VNOQCFOKSA-N 1 2 229.270 1.736 20 0 BDADLO Cc1ccc(CO)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001465978379 986762814 /nfs/dbraw/zinc/76/28/14/986762814.db2.gz LKGATVAQPSAUJW-UHFFFAOYSA-N 1 2 245.282 1.392 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1[nH]c(C)cc1C ZINC001137323032 986773626 /nfs/dbraw/zinc/77/36/26/986773626.db2.gz VMFSZCZCTZQCDP-GFCCVEGCSA-N 1 2 236.315 1.769 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1[nH]c(C)cc1C ZINC001137323032 986773635 /nfs/dbraw/zinc/77/36/35/986773635.db2.gz VMFSZCZCTZQCDP-GFCCVEGCSA-N 1 2 236.315 1.769 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCO[C@H]3C[C@H]32)[nH]1 ZINC001137332211 986797482 /nfs/dbraw/zinc/79/74/82/986797482.db2.gz LBUBEFLZUGNMGP-NEPJUHHUSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCO[C@H]3C[C@H]32)[nH]1 ZINC001137332211 986797497 /nfs/dbraw/zinc/79/74/97/986797497.db2.gz LBUBEFLZUGNMGP-NEPJUHHUSA-N 1 2 206.289 1.605 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC12CC2 ZINC001467293675 986845389 /nfs/dbraw/zinc/84/53/89/986845389.db2.gz YVDMKMVVPSXGQL-NXEZZACHSA-N 1 2 231.299 1.114 20 0 BDADLO Nc1ccc(CNc2n[nH]c3c2COCC3)c[nH+]1 ZINC001580447172 986853746 /nfs/dbraw/zinc/85/37/46/986853746.db2.gz RJQJJGDVTFIJOK-UHFFFAOYSA-N 1 2 245.286 1.072 20 0 BDADLO Cc1ccc(-c2cnc(N)c(F)c2)[nH+]c1N ZINC001245519158 986896399 /nfs/dbraw/zinc/89/63/99/986896399.db2.gz XIABOJZORJLFJH-UHFFFAOYSA-N 1 2 218.235 1.756 20 0 BDADLO COc1nc(C)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245535315 986909765 /nfs/dbraw/zinc/90/97/65/986909765.db2.gz IHQRYXPAIPCERB-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO COC(=O)c1ncccc1-c1c[nH+]c(N)c(C)c1 ZINC001245538190 986917574 /nfs/dbraw/zinc/91/75/74/986917574.db2.gz YDPRNMUQHWVCHT-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO Cc1cc(-c2ncc(F)cc2C(N)=O)c[nH+]c1N ZINC001245537056 986921602 /nfs/dbraw/zinc/92/16/02/986921602.db2.gz FBJJTZXKWMXWAD-UHFFFAOYSA-N 1 2 246.245 1.272 20 0 BDADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)cnc1N ZINC001245539592 986927469 /nfs/dbraw/zinc/92/74/69/986927469.db2.gz WJGVNXABTRMEGF-UHFFFAOYSA-N 1 2 214.272 1.925 20 0 BDADLO Cc1cc(-c2ccc3ncnn3c2F)c[nH+]c1N ZINC001245540800 986931799 /nfs/dbraw/zinc/93/17/99/986931799.db2.gz HUDNOCPEHXJXNU-UHFFFAOYSA-N 1 2 243.245 1.821 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(F)F ZINC001468857721 986942952 /nfs/dbraw/zinc/94/29/52/986942952.db2.gz QANGZQRNSWDGIU-YUMQZZPRSA-N 1 2 243.257 1.215 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CCn2cnnc2C1 ZINC001255645965 987039377 /nfs/dbraw/zinc/03/93/77/987039377.db2.gz KGOIWPFLDDKCKJ-SSDOTTSWSA-N 1 2 234.225 1.435 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CCn2cnnc2C1 ZINC001255645965 987039387 /nfs/dbraw/zinc/03/93/87/987039387.db2.gz KGOIWPFLDDKCKJ-SSDOTTSWSA-N 1 2 234.225 1.435 20 0 BDADLO C[C@@H](n1[nH]c(C[NH3+])cc1=O)C(F)(F)F ZINC001245924395 987173495 /nfs/dbraw/zinc/17/34/95/987173495.db2.gz FFLOMHGTVWZSMK-SCSAIBSYSA-N 1 2 209.171 1.171 20 0 BDADLO CCc1[nH]c(CNC(=O)C2(COC)CC2)c[nH+]1 ZINC001472020706 987159552 /nfs/dbraw/zinc/15/95/52/987159552.db2.gz KXDXKOAITSZFIC-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2(COC)CC2)[nH+]1 ZINC001472020706 987159565 /nfs/dbraw/zinc/15/95/65/987159565.db2.gz KXDXKOAITSZFIC-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CCCc1cc(=O)n(Cc2[nH+]ccn2C)[nH]1 ZINC001245921794 987165582 /nfs/dbraw/zinc/16/55/82/987165582.db2.gz XWOVSFIQONWATP-UHFFFAOYSA-N 1 2 220.276 1.323 20 0 BDADLO C[C@@H]1CCC[C@H]1n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245927377 987177620 /nfs/dbraw/zinc/17/76/20/987177620.db2.gz PLSNREJDUQOMDH-LDYMZIIASA-N 1 2 221.304 1.637 20 0 BDADLO Cc1nc(NCCN(C)C(=O)CC2CC2)cc[nH+]1 ZINC001101499102 987189473 /nfs/dbraw/zinc/18/94/73/987189473.db2.gz SREMLKARDSVQNU-UHFFFAOYSA-N 1 2 248.330 1.455 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@@H+]1Cc2cncnc2C1 ZINC001256410383 987217634 /nfs/dbraw/zinc/21/76/34/987217634.db2.gz KEZVLNFNNCXDCH-NSHDSACASA-N 1 2 240.310 1.818 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@H+]1Cc2cncnc2C1 ZINC001256410383 987217641 /nfs/dbraw/zinc/21/76/41/987217641.db2.gz KEZVLNFNNCXDCH-NSHDSACASA-N 1 2 240.310 1.818 20 0 BDADLO O=c1cc([C@H]2CC[NH2+]C2)[nH]n1-c1nccs1 ZINC001245943586 987219484 /nfs/dbraw/zinc/21/94/84/987219484.db2.gz LLFLCHQXHJUBEY-ZETCQYMHSA-N 1 2 236.300 1.111 20 0 BDADLO CC[C@@H](CNC(C)=O)Nc1cc[nH+]c(C)n1 ZINC001102970428 987232956 /nfs/dbraw/zinc/23/29/56/987232956.db2.gz RELZYLANPIMGCO-JTQLQIEISA-N 1 2 222.292 1.112 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(CCc2c[nH]c[nH+]2)o1 ZINC001256649202 987265508 /nfs/dbraw/zinc/26/55/08/987265508.db2.gz WHPUJFBKPTUSKJ-IONNQARKSA-N 1 2 218.260 1.701 20 0 BDADLO CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCC1 ZINC001111737142 987290707 /nfs/dbraw/zinc/29/07/07/987290707.db2.gz OGMKWKUDDOWMLZ-UHFFFAOYSA-N 1 2 234.303 1.256 20 0 BDADLO CCOC(OCC)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001472905618 987302992 /nfs/dbraw/zinc/30/29/92/987302992.db2.gz DFQUYHPMRDNCSF-VIFPVBQESA-N 1 2 239.319 1.985 20 0 BDADLO Cc1nc(N[C@H]2CCCC3(CC3)C2)nc(N)[nH+]1 ZINC000696176513 987339348 /nfs/dbraw/zinc/33/93/48/987339348.db2.gz JKWJBABSMBRFEX-VIFPVBQESA-N 1 2 233.319 1.897 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCCC3(CC3)C2)[nH+]1 ZINC000696176513 987339349 /nfs/dbraw/zinc/33/93/49/987339349.db2.gz JKWJBABSMBRFEX-VIFPVBQESA-N 1 2 233.319 1.897 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000699725564 987379769 /nfs/dbraw/zinc/37/97/69/987379769.db2.gz CSWXBPIQEXPWQV-NXEZZACHSA-N 1 2 235.331 1.751 20 0 BDADLO CCC[C@](C)(O)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116156363 987456331 /nfs/dbraw/zinc/45/63/31/987456331.db2.gz AJJHEQBZRGHXFY-PWSUYJOCSA-N 1 2 239.319 1.111 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116156364 987457242 /nfs/dbraw/zinc/45/72/42/987457242.db2.gz AJJHEQBZRGHXFY-ZYHUDNBSSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@@H](C(=O)NC[C@H]1CCCS1)n1cc[nH+]c1 ZINC001116253749 987495413 /nfs/dbraw/zinc/49/54/13/987495413.db2.gz ZCVPHWPMAOHFFL-VHSXEESVSA-N 1 2 239.344 1.456 20 0 BDADLO C[C@H](C(=O)N1CCOCC12CCC2)n1cc[nH+]c1 ZINC001116344503 987523387 /nfs/dbraw/zinc/52/33/87/987523387.db2.gz YLUFPHYTLKTEDF-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO CC(=O)c1ccccc1C(=O)NCC[NH+]1CCC1 ZINC001116359737 987530762 /nfs/dbraw/zinc/53/07/62/987530762.db2.gz GQUNFUKMIXOTOG-UHFFFAOYSA-N 1 2 246.310 1.325 20 0 BDADLO COC(=O)[C@H](C)[NH+]1CCC(c2ncccn2)CC1 ZINC001473811483 987566590 /nfs/dbraw/zinc/56/65/90/987566590.db2.gz NYMKZJIASDVYKJ-JTQLQIEISA-N 1 2 249.314 1.218 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cnccn2)ncn1 ZINC001116461836 987588681 /nfs/dbraw/zinc/58/86/81/987588681.db2.gz YQFACOJLMYANRQ-JTQLQIEISA-N 1 2 229.287 1.426 20 0 BDADLO Cc1cccnc1[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC001473879494 987603588 /nfs/dbraw/zinc/60/35/88/987603588.db2.gz JFMNYFOMFDXOOV-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CSCC[C@@H]([NH2+][C@@H]1CCCNC1)C(C)(C)O ZINC001246217919 987616886 /nfs/dbraw/zinc/61/68/86/987616886.db2.gz NGKXAKOOLRECFL-GHMZBOCLSA-N 1 2 246.420 1.221 20 0 BDADLO CSCC[C@@H](N[C@@H]1CCC[NH2+]C1)C(C)(C)O ZINC001246217919 987616891 /nfs/dbraw/zinc/61/68/91/987616891.db2.gz NGKXAKOOLRECFL-GHMZBOCLSA-N 1 2 246.420 1.221 20 0 BDADLO Cc1ccc(C2(N[C@H]3CCC[NH2+]C3)COC2)cc1 ZINC001246219644 987617622 /nfs/dbraw/zinc/61/76/22/987617622.db2.gz HBLSSJHBRSDCLW-AWEZNQCLSA-N 1 2 246.354 1.562 20 0 BDADLO CC(C)(CF)[NH2+]Cc1nc(CO)cs1 ZINC001474117312 987646611 /nfs/dbraw/zinc/64/66/11/987646611.db2.gz UOHUHMRGLQDFLG-UHFFFAOYSA-N 1 2 218.297 1.473 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ncccc2F)cn1 ZINC001474135065 987647297 /nfs/dbraw/zinc/64/72/97/987647297.db2.gz OBCPCMMHUWPVTE-UHFFFAOYSA-N 1 2 246.289 1.863 20 0 BDADLO COc1cccnc1C[NH2+]Cc1cc(C)nn1C ZINC001474582613 987768714 /nfs/dbraw/zinc/76/87/14/987768714.db2.gz LHTAGONKTZGDFD-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO Cn1cc(C[NH2+]Cc2cccn2C(F)F)nn1 ZINC001474612332 987777131 /nfs/dbraw/zinc/77/71/31/987777131.db2.gz GGGRZDPNWSYRTF-UHFFFAOYSA-N 1 2 241.245 1.302 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nncn2C)n(C)n1 ZINC001117074136 987778236 /nfs/dbraw/zinc/77/82/36/987778236.db2.gz DHUQDPNDXBYBRS-NXEZZACHSA-N 1 2 248.334 1.269 20 0 BDADLO OC[C@H]([NH2+]Cc1cccn1C1CC1)c1ncc[nH]1 ZINC001474724028 987811214 /nfs/dbraw/zinc/81/12/14/987811214.db2.gz MTULHEJSXZDPAW-LBPRGKRZSA-N 1 2 246.314 1.369 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2ccccn2)o1 ZINC001117260215 987814407 /nfs/dbraw/zinc/81/44/07/987814407.db2.gz GCSATUBSFNVHIH-UHFFFAOYSA-N 1 2 232.287 1.311 20 0 BDADLO Cc1cc(C)c(NC(=O)N2CC[C@@H]2CO)c(C)[nH+]1 ZINC001476698303 987848863 /nfs/dbraw/zinc/84/88/63/987848863.db2.gz GDHITJFOKJFGOZ-LLVKDONJSA-N 1 2 249.314 1.605 20 0 BDADLO c1cn(Cc2nc(C3CCOCC3)no2)c[nH+]1 ZINC001117691263 987864172 /nfs/dbraw/zinc/86/41/72/987864172.db2.gz KTTHNVLPGIWSSK-UHFFFAOYSA-N 1 2 234.259 1.208 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)n[nH]1 ZINC001117723077 987878237 /nfs/dbraw/zinc/87/82/37/987878237.db2.gz QDSBOXUOWUJNJM-ZDUSSCGKSA-N 1 2 249.358 1.967 20 0 BDADLO CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001480463635 987963916 /nfs/dbraw/zinc/96/39/16/987963916.db2.gz GPTDAPOSVSGQQC-NKWVEPMBSA-N 1 2 244.232 1.390 20 0 BDADLO CC(C)[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001480463635 987963907 /nfs/dbraw/zinc/96/39/07/987963907.db2.gz GPTDAPOSVSGQQC-NKWVEPMBSA-N 1 2 244.232 1.390 20 0 BDADLO CC[C@]1(C)C[N@H+](CN2C(=O)CC2(C)C)CCO1 ZINC001321690627 987970403 /nfs/dbraw/zinc/97/04/03/987970403.db2.gz YGQSJGIELDYGMW-CYBMUJFWSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@]1(C)C[N@@H+](CN2C(=O)CC2(C)C)CCO1 ZINC001321690627 987970407 /nfs/dbraw/zinc/97/04/07/987970407.db2.gz YGQSJGIELDYGMW-CYBMUJFWSA-N 1 2 240.347 1.456 20 0 BDADLO Cc1coc(C(=O)NC2C[NH+](C(C)C)C2)c1C ZINC001117996686 987976187 /nfs/dbraw/zinc/97/61/87/987976187.db2.gz LWMCMHSCPSYHRS-UHFFFAOYSA-N 1 2 236.315 1.719 20 0 BDADLO CC[NH2+]C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001321854914 988030551 /nfs/dbraw/zinc/03/05/51/988030551.db2.gz CBUXASDGTFMMPH-NTSWFWBYSA-N 1 2 230.205 1.001 20 0 BDADLO CC[NH2+]C[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001321854914 988030564 /nfs/dbraw/zinc/03/05/64/988030564.db2.gz CBUXASDGTFMMPH-NTSWFWBYSA-N 1 2 230.205 1.001 20 0 BDADLO CCCCOCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001322065654 988096520 /nfs/dbraw/zinc/09/65/20/988096520.db2.gz GJTQVJCMCAXSIH-NSHDSACASA-N 1 2 239.319 1.377 20 0 BDADLO CCCCOCC[NH+]1CC(NC(=O)CC)C1 ZINC001494332994 988129504 /nfs/dbraw/zinc/12/95/04/988129504.db2.gz MVCKFAZBRJRSDQ-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO C[C@H](C(=O)Nc1nncn1C1CC1)n1cc[nH+]c1 ZINC001322143089 988142701 /nfs/dbraw/zinc/14/27/01/988142701.db2.gz QVHXZXCLOPGJEW-MRVPVSSYSA-N 1 2 246.274 1.009 20 0 BDADLO C[C@]1(C(=O)NCC2C[NH+](CCF)C2)C=CCC1 ZINC001494584800 988163953 /nfs/dbraw/zinc/16/39/53/988163953.db2.gz NUHIHQBACSCTCO-ZDUSSCGKSA-N 1 2 240.322 1.360 20 0 BDADLO C[C@@H](C(=O)N1CCC12CCCC2)n1cc[nH+]c1 ZINC001118330443 988231064 /nfs/dbraw/zinc/23/10/64/988231064.db2.gz NMKOBAKILNBAIR-NSHDSACASA-N 1 2 233.315 1.989 20 0 BDADLO CC(C)[C@H]1C[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001118371346 988262400 /nfs/dbraw/zinc/26/24/00/988262400.db2.gz ALQDZTFGRXIKSI-RKDXNWHRSA-N 1 2 209.293 1.891 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001118371345 988264974 /nfs/dbraw/zinc/26/49/74/988264974.db2.gz ALQDZTFGRXIKSI-IUCAKERBSA-N 1 2 209.293 1.891 20 0 BDADLO Cc1ncc(NC(=O)[C@H](C)n2cc[nH+]c2)cn1 ZINC001322450685 988279131 /nfs/dbraw/zinc/27/91/31/988279131.db2.gz YKWANNWBIUTVDQ-QMMMGPOBSA-N 1 2 231.259 1.181 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)c[nH]c1=O ZINC001322989888 988422586 /nfs/dbraw/zinc/42/25/86/988422586.db2.gz DYONQKLIVICBIY-UHFFFAOYSA-N 1 2 246.270 1.010 20 0 BDADLO C=C/C(C)=C/CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001323288058 988487665 /nfs/dbraw/zinc/48/76/65/988487665.db2.gz WOGNLIOQGMIGAW-QNCMIEPLSA-N 1 2 240.322 1.669 20 0 BDADLO C=C/C(C)=C/CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001323288058 988487667 /nfs/dbraw/zinc/48/76/67/988487667.db2.gz WOGNLIOQGMIGAW-QNCMIEPLSA-N 1 2 240.322 1.669 20 0 BDADLO O=C(CC1CC1)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001498911818 988508384 /nfs/dbraw/zinc/50/83/84/988508384.db2.gz FHGMAXHMBSBXPQ-SRCWYMLCSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(CC1CC1)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001498911818 988508390 /nfs/dbraw/zinc/50/83/90/988508390.db2.gz FHGMAXHMBSBXPQ-SRCWYMLCSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(CC1CC1)NCC1([NH2+]Cc2ccon2)CC1 ZINC001499143755 988537541 /nfs/dbraw/zinc/53/75/41/988537541.db2.gz SYNIJFVYUUBFJT-UHFFFAOYSA-N 1 2 249.314 1.213 20 0 BDADLO CC(F)(F)C1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001118743305 988539897 /nfs/dbraw/zinc/53/98/97/988539897.db2.gz XCDMVTHJLZSGPH-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001323631409 988569431 /nfs/dbraw/zinc/56/94/31/988569431.db2.gz MENAETAGHUNLOB-OUAUKWLOSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@H](C(=O)N(C)CC1=CCCOC1)n1cc[nH+]c1 ZINC001118772194 988573736 /nfs/dbraw/zinc/57/37/36/988573736.db2.gz FIDCKCIRASRFCA-LLVKDONJSA-N 1 2 249.314 1.249 20 0 BDADLO CC(C)C1(CNC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001323666671 988578938 /nfs/dbraw/zinc/57/89/38/988578938.db2.gz BTSLLQYZJZCVTJ-NSHDSACASA-N 1 2 235.331 1.997 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(F)(F)F ZINC001118799483 988604390 /nfs/dbraw/zinc/60/43/90/988604390.db2.gz ZCVNUIBFZWTKTR-BQBZGAKWSA-N 1 2 235.209 1.511 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(F)(F)F ZINC001118799487 988606892 /nfs/dbraw/zinc/60/68/92/988606892.db2.gz ZCVNUIBFZWTKTR-NKWVEPMBSA-N 1 2 235.209 1.511 20 0 BDADLO C[C@@H](C(=O)NCCc1ccncc1)n1cc[nH+]c1 ZINC001323959071 988659548 /nfs/dbraw/zinc/65/95/48/988659548.db2.gz QILLCNHMZZGMCP-NSHDSACASA-N 1 2 244.298 1.198 20 0 BDADLO Fc1ccc(CC[NH2+]Cc2c[nH]nn2)c(F)c1 ZINC001118883610 988667309 /nfs/dbraw/zinc/66/73/09/988667309.db2.gz BNGLMOHVBYCRFQ-UHFFFAOYSA-N 1 2 238.241 1.415 20 0 BDADLO COC[C@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118941641 988728083 /nfs/dbraw/zinc/72/80/83/988728083.db2.gz IRPYTDWWTWYKDH-GHMZBOCLSA-N 1 2 237.303 1.082 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2Cc3ccccc32)o1 ZINC001324177643 988742508 /nfs/dbraw/zinc/74/25/08/988742508.db2.gz DSIKQZGZDDFBCY-NSHDSACASA-N 1 2 229.283 1.819 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001119090582 988832426 /nfs/dbraw/zinc/83/24/26/988832426.db2.gz HFHAAKCIWYVXIU-GFCCVEGCSA-N 1 2 249.314 1.383 20 0 BDADLO OCCCc1[nH]c2cc3c(cc2[nH+]1)CCC3 ZINC001247010370 988837050 /nfs/dbraw/zinc/83/70/50/988837050.db2.gz IOMNRCWGAQDSJB-UHFFFAOYSA-N 1 2 216.284 1.977 20 0 BDADLO c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)n(C2CC2)c1 ZINC001324429098 988840017 /nfs/dbraw/zinc/84/00/17/988840017.db2.gz ONVDXTKKGJYDFU-OKILXGFUSA-N 1 2 248.326 1.423 20 0 BDADLO c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)n(C2CC2)c1 ZINC001324429098 988840022 /nfs/dbraw/zinc/84/00/22/988840022.db2.gz ONVDXTKKGJYDFU-OKILXGFUSA-N 1 2 248.326 1.423 20 0 BDADLO CC(=O)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001119276025 988878754 /nfs/dbraw/zinc/87/87/54/988878754.db2.gz PGXJMVALZKQXAM-UHFFFAOYSA-N 1 2 249.314 1.170 20 0 BDADLO O=C([O-])[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001601793714 988888867 /nfs/dbraw/zinc/88/88/67/988888867.db2.gz KCJBEIPEUCCVSU-OPRDCNLKSA-N 1 2 249.314 1.110 20 0 BDADLO CC(C)(C)[S@@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC001514606081 988911438 /nfs/dbraw/zinc/91/14/38/988911438.db2.gz WINFWPMBFOYMLA-MRXNPFEDSA-N 1 2 243.332 1.306 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001119307856 988922117 /nfs/dbraw/zinc/92/21/17/988922117.db2.gz DJABZAZSDBPDFG-AGIUHOORSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001119307856 988922125 /nfs/dbraw/zinc/92/21/25/988922125.db2.gz DJABZAZSDBPDFG-AGIUHOORSA-N 1 2 249.358 1.810 20 0 BDADLO CCC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001514729567 988926467 /nfs/dbraw/zinc/92/64/67/988926467.db2.gz NWVTYSMNBHQMFV-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO O[C@@H]1CN(c2cc[nH+]cc2F)CC12CC2 ZINC001119340050 988972764 /nfs/dbraw/zinc/97/27/64/988972764.db2.gz IEQKXWBXLZDDDB-SNVBAGLBSA-N 1 2 208.236 1.182 20 0 BDADLO CCCN(CC(F)F)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001324980652 989040845 /nfs/dbraw/zinc/04/08/45/989040845.db2.gz SQMAXFPCKAXVEU-VIFPVBQESA-N 1 2 245.273 1.948 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC(C(F)F)C1 ZINC001324988287 989044465 /nfs/dbraw/zinc/04/44/65/989044465.db2.gz OVYKWFPYLBBYNZ-UHFFFAOYSA-N 1 2 229.230 1.066 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC(C(F)F)C1 ZINC001324988287 989044475 /nfs/dbraw/zinc/04/44/75/989044475.db2.gz OVYKWFPYLBBYNZ-UHFFFAOYSA-N 1 2 229.230 1.066 20 0 BDADLO Oc1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC001515444545 989046144 /nfs/dbraw/zinc/04/61/44/989046144.db2.gz NTSXLVYGHJBBFD-SNVBAGLBSA-N 1 2 245.286 1.220 20 0 BDADLO COc1ccncc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324986581 989047646 /nfs/dbraw/zinc/04/76/46/989047646.db2.gz FBAGFLYUDGXTOL-SECBINFHSA-N 1 2 246.270 1.486 20 0 BDADLO COCC[C@H](Nc1cc(N)nc[nH+]1)c1ccco1 ZINC001515625701 989078171 /nfs/dbraw/zinc/07/81/71/989078171.db2.gz UYZVASNYDMRHIN-VIFPVBQESA-N 1 2 248.286 1.842 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccc(C)c(C)c2)no1 ZINC001248184038 989081016 /nfs/dbraw/zinc/08/10/16/989081016.db2.gz JCUZIZRMSNSQLQ-LLVKDONJSA-N 1 2 247.298 2.000 20 0 BDADLO Nc1cc(N2CCOCC3(CCCC3)C2)[nH+]cn1 ZINC001515640473 989084853 /nfs/dbraw/zinc/08/48/53/989084853.db2.gz JVPBFTYTIMHEON-UHFFFAOYSA-N 1 2 248.330 1.456 20 0 BDADLO Cc1ncc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC001119502858 989112572 /nfs/dbraw/zinc/11/25/72/989112572.db2.gz VLRLSGKCSYCRPF-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO Cc1ncc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)o1 ZINC001119502858 989112577 /nfs/dbraw/zinc/11/25/77/989112577.db2.gz VLRLSGKCSYCRPF-NXEZZACHSA-N 1 2 246.270 1.126 20 0 BDADLO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)OC(C)C)C1(C)C ZINC001325203880 989119964 /nfs/dbraw/zinc/11/99/64/989119964.db2.gz LXNFLDRZPUIYIA-ZMLRMANQSA-N 1 2 243.347 1.587 20 0 BDADLO Cc1noc2ccc(C[NH+]3CCOCC3)cc12 ZINC001248687074 989124235 /nfs/dbraw/zinc/12/42/35/989124235.db2.gz HIXLTDATRAAHHS-UHFFFAOYSA-N 1 2 232.283 1.968 20 0 BDADLO CC(C)(COC(=O)[C@H]1C[C@@H]1F)n1cc[nH+]c1 ZINC001515914211 989130712 /nfs/dbraw/zinc/13/07/12/989130712.db2.gz LIPPBVRPXCXOIG-IUCAKERBSA-N 1 2 226.251 1.519 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1C=CCCC1 ZINC001119533021 989135176 /nfs/dbraw/zinc/13/51/76/989135176.db2.gz PTMREPSIIOJWMY-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO CCc1nnc(C[N@@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001325302173 989152816 /nfs/dbraw/zinc/15/28/16/989152816.db2.gz BXXHBWUDLHAIPG-UHFFFAOYSA-N 1 2 222.336 1.988 20 0 BDADLO CCc1nnc(C[N@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001325302173 989152827 /nfs/dbraw/zinc/15/28/27/989152827.db2.gz BXXHBWUDLHAIPG-UHFFFAOYSA-N 1 2 222.336 1.988 20 0 BDADLO C[N@H+](Cc1ccc2n1CCC2)Cc1cnccn1 ZINC001248823973 989184393 /nfs/dbraw/zinc/18/43/93/989184393.db2.gz SMVPAGDNXFJXMO-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@@H+](Cc1ccc2n1CCC2)Cc1cnccn1 ZINC001248823973 989184397 /nfs/dbraw/zinc/18/43/97/989184397.db2.gz SMVPAGDNXFJXMO-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO C[N@H+](Cc1ccc2n1CCC2)C1COC1 ZINC001248823525 989186365 /nfs/dbraw/zinc/18/63/65/989186365.db2.gz AERNMZBAIMIRIY-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO C[N@@H+](Cc1ccc2n1CCC2)C1COC1 ZINC001248823525 989186380 /nfs/dbraw/zinc/18/63/80/989186380.db2.gz AERNMZBAIMIRIY-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H](O)C3)nc2c1 ZINC001248839518 989188242 /nfs/dbraw/zinc/18/82/42/989188242.db2.gz MJBXSJFJINDLSQ-NSHDSACASA-N 1 2 245.326 1.828 20 0 BDADLO Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](O)C3)nc2c1 ZINC001248839518 989188254 /nfs/dbraw/zinc/18/82/54/989188254.db2.gz MJBXSJFJINDLSQ-NSHDSACASA-N 1 2 245.326 1.828 20 0 BDADLO Cc1ccc2nc(C[N@@H+]3CCC[C@H](O)C3)[nH]c2c1 ZINC001248839518 989188266 /nfs/dbraw/zinc/18/82/66/989188266.db2.gz MJBXSJFJINDLSQ-NSHDSACASA-N 1 2 245.326 1.828 20 0 BDADLO Cc1ccc2nc(C[N@H+]3CCC[C@H](O)C3)[nH]c2c1 ZINC001248839518 989188273 /nfs/dbraw/zinc/18/82/73/989188273.db2.gz MJBXSJFJINDLSQ-NSHDSACASA-N 1 2 245.326 1.828 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC001248966540 989230515 /nfs/dbraw/zinc/23/05/15/989230515.db2.gz UNMQLMNGLPPJLB-LLVKDONJSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC001248966540 989230522 /nfs/dbraw/zinc/23/05/22/989230522.db2.gz UNMQLMNGLPPJLB-LLVKDONJSA-N 1 2 221.304 1.314 20 0 BDADLO CCCC[N@H+](CCCO)Cc1cc(C)[nH]n1 ZINC001325733228 989244298 /nfs/dbraw/zinc/24/42/98/989244298.db2.gz IAPBITQNJXYXJL-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO CCCC[N@@H+](CCCO)Cc1cc(C)[nH]n1 ZINC001325733228 989244309 /nfs/dbraw/zinc/24/43/09/989244309.db2.gz IAPBITQNJXYXJL-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO CCc1cccc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)c1 ZINC001249074440 989250237 /nfs/dbraw/zinc/25/02/37/989250237.db2.gz XVVNJMNNIPFXGT-KWQFWETISA-N 1 2 247.298 1.680 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCCO1 ZINC001119634044 989270457 /nfs/dbraw/zinc/27/04/57/989270457.db2.gz XNFMWJXUQXWQAP-CMPLNLGQSA-N 1 2 249.314 1.040 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCc1c[nH+]cn1CC ZINC001518047092 989272333 /nfs/dbraw/zinc/27/23/33/989272333.db2.gz CECKVWYYUDDLNO-MWLCHTKSSA-N 1 2 222.288 1.992 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)ns1 ZINC001249588407 989307442 /nfs/dbraw/zinc/30/74/42/989307442.db2.gz FNLHQHHNFWZSKJ-GXSJLCMTSA-N 1 2 224.329 1.672 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)ns1 ZINC001249588407 989307450 /nfs/dbraw/zinc/30/74/50/989307450.db2.gz FNLHQHHNFWZSKJ-GXSJLCMTSA-N 1 2 224.329 1.672 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2cc(C)sn2)C1 ZINC001249592658 989321627 /nfs/dbraw/zinc/32/16/27/989321627.db2.gz PRVYPUQQMWUOER-VIFPVBQESA-N 1 2 226.345 1.918 20 0 BDADLO CCCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001519197571 989386939 /nfs/dbraw/zinc/38/69/39/989386939.db2.gz AHFUEIRJYUYLBP-UHFFFAOYSA-N 1 2 236.319 1.723 20 0 BDADLO CCc1ncc(C[N@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC001119811149 989416123 /nfs/dbraw/zinc/41/61/23/989416123.db2.gz WVZHXUGSAACWCG-FVMDXXJSSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1ncc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC001119811149 989416128 /nfs/dbraw/zinc/41/61/28/989416128.db2.gz WVZHXUGSAACWCG-FVMDXXJSSA-N 1 2 244.360 1.436 20 0 BDADLO CC(C)(O)C[N@H+](Cc1nncs1)C1CC1 ZINC001119824993 989428776 /nfs/dbraw/zinc/42/87/76/989428776.db2.gz KXMJSSJCIFWDCL-UHFFFAOYSA-N 1 2 227.333 1.273 20 0 BDADLO CC(C)(O)C[N@@H+](Cc1nncs1)C1CC1 ZINC001119824993 989428785 /nfs/dbraw/zinc/42/87/85/989428785.db2.gz KXMJSSJCIFWDCL-UHFFFAOYSA-N 1 2 227.333 1.273 20 0 BDADLO COc1nc(Cl)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1C ZINC001326344402 989510452 /nfs/dbraw/zinc/51/04/52/989510452.db2.gz RPFVKTDDLURFBQ-SFYZADRCSA-N 1 2 243.738 1.922 20 0 BDADLO COc1nc(Cl)c(C[N@H+]2C[C@@H](C)[C@@H]2C)n1C ZINC001326344402 989510462 /nfs/dbraw/zinc/51/04/62/989510462.db2.gz RPFVKTDDLURFBQ-SFYZADRCSA-N 1 2 243.738 1.922 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001119975357 989536686 /nfs/dbraw/zinc/53/66/86/989536686.db2.gz UKRFWDMIFGCQDL-WDSKDSINSA-N 1 2 233.218 1.274 20 0 BDADLO Cc1conc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001520578419 989579595 /nfs/dbraw/zinc/57/95/95/989579595.db2.gz NCDGJVWITGHEDH-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1conc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001520578419 989579597 /nfs/dbraw/zinc/57/95/97/989579597.db2.gz NCDGJVWITGHEDH-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO CC(C)=CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001520768922 989603601 /nfs/dbraw/zinc/60/36/01/989603601.db2.gz HBWUISVEHPTKCF-UHFFFAOYSA-N 1 2 237.303 1.319 20 0 BDADLO CC(C)N(C(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC001521217946 989654902 /nfs/dbraw/zinc/65/49/02/989654902.db2.gz YCEUWDDTTCQVQX-MRVPVSSYSA-N 1 2 220.263 1.368 20 0 BDADLO c1nsnc1C[N@@H+]1CC2CCC1CC2 ZINC001326715753 989659482 /nfs/dbraw/zinc/65/94/82/989659482.db2.gz DEHZXFOUXUJSBN-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO c1nsnc1C[N@H+]1CC2CCC1CC2 ZINC001326715753 989659489 /nfs/dbraw/zinc/65/94/89/989659489.db2.gz DEHZXFOUXUJSBN-UHFFFAOYSA-N 1 2 209.318 1.913 20 0 BDADLO Cc1cccc2c1cc[nH+]c2N1C[C@@H](O)[C@@H](O)C1 ZINC001326732675 989668115 /nfs/dbraw/zinc/66/81/15/989668115.db2.gz KERBSHIIMUGRKO-BETUJISGSA-N 1 2 244.294 1.085 20 0 BDADLO Cn1c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cnc1Cl ZINC001326852389 989748298 /nfs/dbraw/zinc/74/82/98/989748298.db2.gz JKQRPZFADWNCRH-SECBINFHSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1c(C[N@H+]2C[C@@H](O)C3(CC3)C2)cnc1Cl ZINC001326852389 989748313 /nfs/dbraw/zinc/74/83/13/989748313.db2.gz JKQRPZFADWNCRH-SECBINFHSA-N 1 2 241.722 1.030 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccns2)C[C@H](C)[N@H+]1C ZINC001120739808 989860473 /nfs/dbraw/zinc/86/04/73/989860473.db2.gz QDXSXLIWKNVTHI-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccns2)C[C@H](C)[N@@H+]1C ZINC001120739808 989860476 /nfs/dbraw/zinc/86/04/76/989860476.db2.gz QDXSXLIWKNVTHI-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO O=C(NCCC(F)F)[C@@H]1CCc2[nH+]ccn2C1 ZINC001522701582 989871542 /nfs/dbraw/zinc/87/15/42/989871542.db2.gz VULSGXSAPNHEJF-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO Cc1c([C@@H](C)Nc2cc(N)nc[nH+]2)cnn1C ZINC001120799043 989888032 /nfs/dbraw/zinc/88/80/32/989888032.db2.gz SJJAPMNQLSJZHE-SSDOTTSWSA-N 1 2 232.291 1.274 20 0 BDADLO Cc1cc(C)c(CNc2ncc(O)cn2)c[nH+]1 ZINC001120856169 989925587 /nfs/dbraw/zinc/92/55/87/989925587.db2.gz ODFSQKSBTRCNEJ-UHFFFAOYSA-N 1 2 230.271 1.806 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001120956658 989986955 /nfs/dbraw/zinc/98/69/55/989986955.db2.gz JNHIZEBFQBZAIQ-IVZWLZJFSA-N 1 2 220.272 1.822 20 0 BDADLO C[S@](=O)[C@@H]1CC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC001120970576 989994769 /nfs/dbraw/zinc/99/47/69/989994769.db2.gz VQCDOVSFYWDKKX-LGZSNQIQSA-N 1 2 242.319 1.354 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1CC12CC2 ZINC001525846491 990076614 /nfs/dbraw/zinc/07/66/14/990076614.db2.gz AOLIUAJKCMPLFP-NSHDSACASA-N 1 2 234.299 1.696 20 0 BDADLO Cc1cc(CNC(=O)c2ncccn2)cc(C)[nH+]1 ZINC001525866072 990084339 /nfs/dbraw/zinc/08/43/39/990084339.db2.gz TYSZQGFBOOKFCZ-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC001527795931 990243914 /nfs/dbraw/zinc/24/39/14/990243914.db2.gz YLFBIJWDHDULRZ-MWLCHTKSSA-N 1 2 221.304 1.125 20 0 BDADLO CNc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC001122167582 990274225 /nfs/dbraw/zinc/27/42/25/990274225.db2.gz UZGBUEGRWXJRND-SECBINFHSA-N 1 2 243.257 1.649 20 0 BDADLO Cc1cc(CNC(=O)Cc2ccon2)cc(C)[nH+]1 ZINC001529384669 990346878 /nfs/dbraw/zinc/34/68/78/990346878.db2.gz LSZDLJVHYIPTLF-UHFFFAOYSA-N 1 2 245.282 1.545 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001122678229 990431769 /nfs/dbraw/zinc/43/17/69/990431769.db2.gz UGSOIZQTNCKADW-GDPRMGEGSA-N 1 2 248.282 1.079 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1CCC(=O)C1 ZINC001123377326 990567344 /nfs/dbraw/zinc/56/73/44/990567344.db2.gz YPWNEORXVHOZTD-VIFPVBQESA-N 1 2 236.271 1.315 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCc1cccnc1 ZINC001123474689 990589002 /nfs/dbraw/zinc/58/90/02/990589002.db2.gz BDBKAOCRLJPJIN-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1C ZINC001123470543 990591709 /nfs/dbraw/zinc/59/17/09/990591709.db2.gz SGXHYQOYGWFEQG-WPRPVWTQSA-N 1 2 208.261 1.602 20 0 BDADLO CC(C)CCNC(=O)CCc1[nH+]ccn1C ZINC001123572832 990618623 /nfs/dbraw/zinc/61/86/23/990618623.db2.gz FCFAAJOVVNYCQG-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001123574399 990619530 /nfs/dbraw/zinc/61/95/30/990619530.db2.gz XIBQAIPISKLYOV-VXGBXAGGSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001123808987 990675825 /nfs/dbraw/zinc/67/58/25/990675825.db2.gz PMBMSLWOSBVUIH-UTUOFQBUSA-N 1 2 249.358 1.856 20 0 BDADLO Cc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001543074141 990680256 /nfs/dbraw/zinc/68/02/56/990680256.db2.gz QRKZLCHGQXNNJK-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)ccn1 ZINC001123925954 990705646 /nfs/dbraw/zinc/70/56/46/990705646.db2.gz QAZZQGSCKCXHOL-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CC[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001123925118 990706021 /nfs/dbraw/zinc/70/60/21/990706021.db2.gz QYYLZOZYKVEVRZ-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C(C)(F)F)co1 ZINC001123972414 990719048 /nfs/dbraw/zinc/71/90/48/990719048.db2.gz YKRHBKMWRKNPLX-UHFFFAOYSA-N 1 2 247.245 1.008 20 0 BDADLO CCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001544477120 990725004 /nfs/dbraw/zinc/72/50/04/990725004.db2.gz PSEPSNQWMCGECA-QMMMGPOBSA-N 1 2 209.293 1.565 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1([C@H]2CCCO2)CCC1 ZINC001124118489 990754636 /nfs/dbraw/zinc/75/46/36/990754636.db2.gz IMSQOBOSZNHBDP-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO CC(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)=C1CCC1 ZINC001556275480 990818710 /nfs/dbraw/zinc/81/87/10/990818710.db2.gz QEYXAKJUSHKZFA-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCOC1(C)C)n1cc[nH+]c1 ZINC001556663390 990842942 /nfs/dbraw/zinc/84/29/42/990842942.db2.gz IZDOYLAJAADOMA-UWVGGRQHSA-N 1 2 237.303 1.128 20 0 BDADLO CC[C@@H](C)CONC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001556803974 990856304 /nfs/dbraw/zinc/85/63/04/990856304.db2.gz POPWDDBRHZFHAT-MNOVXSKESA-N 1 2 246.326 1.514 20 0 BDADLO CC[C@@H](C)CONC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001556803974 990856306 /nfs/dbraw/zinc/85/63/06/990856306.db2.gz POPWDDBRHZFHAT-MNOVXSKESA-N 1 2 246.326 1.514 20 0 BDADLO COc1ccc(F)c(C[NH+]2CC3(COC3)C2)c1 ZINC001137991532 990873551 /nfs/dbraw/zinc/87/35/51/990873551.db2.gz LTXVAOPKWPLQAP-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c2nccnc2c1 ZINC001138307833 990909845 /nfs/dbraw/zinc/90/98/45/990909845.db2.gz NYSKXCYQXKICMZ-OLZOCXBDSA-N 1 2 241.294 1.603 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]3C[C@H]32)c2nccnc2c1 ZINC001138307833 990909859 /nfs/dbraw/zinc/90/98/59/990909859.db2.gz NYSKXCYQXKICMZ-OLZOCXBDSA-N 1 2 241.294 1.603 20 0 BDADLO Oc1cc(O)cc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC001138324642 990916167 /nfs/dbraw/zinc/91/61/67/990916167.db2.gz UBORMOLXTFPNMH-SECBINFHSA-N 1 2 211.236 1.642 20 0 BDADLO Oc1cc(O)cc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC001138324642 990916174 /nfs/dbraw/zinc/91/61/74/990916174.db2.gz UBORMOLXTFPNMH-SECBINFHSA-N 1 2 211.236 1.642 20 0 BDADLO C=C/C=C/CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001138457257 990951724 /nfs/dbraw/zinc/95/17/24/990951724.db2.gz BUDBRTPLWMEDEO-UFFNRZRYSA-N 1 2 231.299 1.446 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](CCO)c2ccco2)nn1 ZINC001308380797 990980008 /nfs/dbraw/zinc/98/00/08/990980008.db2.gz MGAWUGHJTQTKJM-LBPRGKRZSA-N 1 2 247.298 1.591 20 0 BDADLO CCc1nc(C[NH2+]Cc2cn(C)nc2CC)co1 ZINC001308406762 990983409 /nfs/dbraw/zinc/98/34/09/990983409.db2.gz DWAKLWGKPLIEFP-UHFFFAOYSA-N 1 2 248.330 1.823 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)cc(C(N)=O)c1 ZINC001308412069 990989553 /nfs/dbraw/zinc/98/95/53/990989553.db2.gz NXLJYUYCHMCKSW-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO CCCn1ncc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1C ZINC001138641148 990989789 /nfs/dbraw/zinc/98/97/89/990989789.db2.gz JUWJNWCBGLOKKL-ZIAGYGMSSA-N 1 2 249.358 1.965 20 0 BDADLO CCCn1ncc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1C ZINC001138641148 990989792 /nfs/dbraw/zinc/98/97/92/990989792.db2.gz JUWJNWCBGLOKKL-ZIAGYGMSSA-N 1 2 249.358 1.965 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOC3(CC3)C2)c1C ZINC001138645829 990995280 /nfs/dbraw/zinc/99/52/80/990995280.db2.gz XIEJLEZQBZMRQB-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOC3(CC3)C2)c1C ZINC001138645829 990995288 /nfs/dbraw/zinc/99/52/88/990995288.db2.gz XIEJLEZQBZMRQB-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCCCC12COC2 ZINC001138692842 991006456 /nfs/dbraw/zinc/00/64/56/991006456.db2.gz FXHGDIKIJNJLBZ-UHFFFAOYSA-N 1 2 247.342 1.878 20 0 BDADLO CNc1ncccc1C[N@H+]1CCCCC12COC2 ZINC001138692842 991006460 /nfs/dbraw/zinc/00/64/60/991006460.db2.gz FXHGDIKIJNJLBZ-UHFFFAOYSA-N 1 2 247.342 1.878 20 0 BDADLO CCN1CC[C@H]1C[NH2+]Cc1nn(C)cc1Cl ZINC001308501614 991011268 /nfs/dbraw/zinc/01/12/68/991011268.db2.gz SZOXNAWDLFBOKG-VIFPVBQESA-N 1 2 242.754 1.257 20 0 BDADLO CCOC(=O)CCC[C@@H](C)[NH2+]CC(=O)OCC ZINC001258107886 991016819 /nfs/dbraw/zinc/01/68/19/991016819.db2.gz XPMUYWKTIGHIEY-SNVBAGLBSA-N 1 2 245.319 1.261 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nc(CO)n[nH]2)cc1C ZINC001308558468 991039866 /nfs/dbraw/zinc/03/98/66/991039866.db2.gz KHLIXBSLYPUNNS-UHFFFAOYSA-N 1 2 246.314 1.204 20 0 BDADLO Fc1ncccc1C[NH+]1CC2(C1)CCCOC2 ZINC001138782989 991040397 /nfs/dbraw/zinc/04/03/97/991040397.db2.gz JOSZJTUADMIQHS-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO COC(=O)[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)[C@@H](C)O ZINC001258157223 991043371 /nfs/dbraw/zinc/04/33/71/991043371.db2.gz CEMUXZIKWMVUFE-UXCLJVHYSA-N 1 2 243.347 1.323 20 0 BDADLO Fc1ncccc1C[NH+]1CC2(C1)CCOCC2 ZINC001138789285 991050716 /nfs/dbraw/zinc/05/07/16/991050716.db2.gz VBKSVASNPSADGM-UHFFFAOYSA-N 1 2 236.290 1.833 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138891212 991094154 /nfs/dbraw/zinc/09/41/54/991094154.db2.gz PWAVXRJBRHPBIB-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138891212 991094158 /nfs/dbraw/zinc/09/41/58/991094158.db2.gz PWAVXRJBRHPBIB-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO CC(=O)OC1C[NH+]([C@@H](C)Cc2ccco2)C1 ZINC001258191522 991099489 /nfs/dbraw/zinc/09/94/89/991099489.db2.gz BSGULJIJABMEIF-VIFPVBQESA-N 1 2 223.272 1.458 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001138936559 991106247 /nfs/dbraw/zinc/10/62/47/991106247.db2.gz LTURLXUDCXPKEQ-RYUDHWBXSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001138936559 991106257 /nfs/dbraw/zinc/10/62/57/991106257.db2.gz LTURLXUDCXPKEQ-RYUDHWBXSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3ncc(C)cc3C2)n1 ZINC001138942294 991110534 /nfs/dbraw/zinc/11/05/34/991110534.db2.gz FJBQUSBNJRCSIJ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3ncc(C)cc3C2)n1 ZINC001138942294 991110538 /nfs/dbraw/zinc/11/05/38/991110538.db2.gz FJBQUSBNJRCSIJ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1nc(C)c[nH]1 ZINC001138939991 991111009 /nfs/dbraw/zinc/11/10/09/991111009.db2.gz ZMVYSGPYWLIPKC-UHFFFAOYSA-N 1 2 233.319 1.437 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1nc(C)c[nH]1 ZINC001138939991 991111016 /nfs/dbraw/zinc/11/10/16/991111016.db2.gz ZMVYSGPYWLIPKC-UHFFFAOYSA-N 1 2 233.319 1.437 20 0 BDADLO CCc1cn(CC(=O)c2ccn(C)c2)c[nH+]1 ZINC001559466472 991113010 /nfs/dbraw/zinc/11/30/10/991113010.db2.gz VROUTEBMNDXNAX-UHFFFAOYSA-N 1 2 217.272 1.667 20 0 BDADLO CCc1cn(Cc2ncnn2C(C)(C)C)c[nH+]1 ZINC001559466147 991113593 /nfs/dbraw/zinc/11/35/93/991113593.db2.gz MJQRACXMKAYULQ-UHFFFAOYSA-N 1 2 233.319 1.840 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[C@@H]1C ZINC001138944017 991113932 /nfs/dbraw/zinc/11/39/32/991113932.db2.gz RTDKKGJCDNNEBE-GXSJLCMTSA-N 1 2 235.331 1.813 20 0 BDADLO CSCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258213668 991138700 /nfs/dbraw/zinc/13/87/00/991138700.db2.gz UZQXSJRQDZWIOI-IUCAKERBSA-N 1 2 239.331 1.830 20 0 BDADLO CSCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258213668 991138706 /nfs/dbraw/zinc/13/87/06/991138706.db2.gz UZQXSJRQDZWIOI-IUCAKERBSA-N 1 2 239.331 1.830 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2c(C)n[nH]c2C)C1 ZINC001139099050 991141721 /nfs/dbraw/zinc/14/17/21/991141721.db2.gz HZAHCNGXNUOYRL-UHFFFAOYSA-N 1 2 237.303 1.021 20 0 BDADLO Cc1nnsc1C[NH+]1CC2(CCC2)C1 ZINC001308809558 991144828 /nfs/dbraw/zinc/14/48/28/991144828.db2.gz LYZUQRALRFIBTE-UHFFFAOYSA-N 1 2 209.318 1.832 20 0 BDADLO CC[N@H+](Cc1c(C)n[nH]c1C)C1COC1 ZINC001139099814 991148557 /nfs/dbraw/zinc/14/85/57/991148557.db2.gz AEQMVIQUJVXUPX-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO CC[N@@H+](Cc1c(C)n[nH]c1C)C1COC1 ZINC001139099814 991148572 /nfs/dbraw/zinc/14/85/72/991148572.db2.gz AEQMVIQUJVXUPX-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO CCC1(C[N@@H+]2CCC[C@H](F)C(=O)C2)COC1 ZINC001202912301 991214612 /nfs/dbraw/zinc/21/46/12/991214612.db2.gz NLAYQWHOTKGYOU-JTQLQIEISA-N 1 2 229.295 1.416 20 0 BDADLO CCC1(C[N@H+]2CCC[C@H](F)C(=O)C2)COC1 ZINC001202912301 991214620 /nfs/dbraw/zinc/21/46/20/991214620.db2.gz NLAYQWHOTKGYOU-JTQLQIEISA-N 1 2 229.295 1.416 20 0 BDADLO CCC1(C[N@@H+]2C[C@H](CO)CC(F)(F)C2)COC1 ZINC001202926065 991227962 /nfs/dbraw/zinc/22/79/62/991227962.db2.gz GFJRPJWBQKWBDA-SNVBAGLBSA-N 1 2 249.301 1.363 20 0 BDADLO CCC1(C[N@H+]2C[C@H](CO)CC(F)(F)C2)COC1 ZINC001202926065 991227973 /nfs/dbraw/zinc/22/79/73/991227973.db2.gz GFJRPJWBQKWBDA-SNVBAGLBSA-N 1 2 249.301 1.363 20 0 BDADLO CC[C@H](CO)[NH2+][C@H](CC)c1noc(C)n1 ZINC001559736124 991233959 /nfs/dbraw/zinc/23/39/59/991233959.db2.gz CNTFTOHJFBKZAE-RKDXNWHRSA-N 1 2 213.281 1.190 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H]2C)c[nH+]1 ZINC001339411069 991263080 /nfs/dbraw/zinc/26/30/80/991263080.db2.gz WHZKZVRLRUEYSR-KOLCDFICSA-N 1 2 235.331 1.841 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)CCC(=O)OC)C(=O)OC ZINC001258360960 991303866 /nfs/dbraw/zinc/30/38/66/991303866.db2.gz QQGINZGKPQURTJ-ZJUUUORDSA-N 1 2 245.319 1.259 20 0 BDADLO CC[N@H+](Cc1cnc2cccnc2c1)C1COC1 ZINC001139742768 991349781 /nfs/dbraw/zinc/34/97/81/991349781.db2.gz JONDDQSCHYSIKU-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO CC[N@@H+](Cc1cnc2cccnc2c1)C1COC1 ZINC001139742768 991349789 /nfs/dbraw/zinc/34/97/89/991349789.db2.gz JONDDQSCHYSIKU-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3cnn(C)c3c2)C1 ZINC001139904165 991414354 /nfs/dbraw/zinc/41/43/54/991414354.db2.gz LUVVEXAEDYAPCW-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO Cc1ccc(C[N@@H+](C)C2(C)COC2)cn1 ZINC001139932806 991422689 /nfs/dbraw/zinc/42/26/89/991422689.db2.gz QFERRYWEVJGXRE-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@H+](C)C2(C)COC2)cn1 ZINC001139932806 991422693 /nfs/dbraw/zinc/42/26/93/991422693.db2.gz QFERRYWEVJGXRE-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)CC2CC2)no1 ZINC001258466044 991424853 /nfs/dbraw/zinc/42/48/53/991424853.db2.gz SSKIPZAZUDOMJD-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)CC2CC2)no1 ZINC001258466044 991424857 /nfs/dbraw/zinc/42/48/57/991424857.db2.gz SSKIPZAZUDOMJD-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO Cn1ncc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)ccc21 ZINC001139952837 991431245 /nfs/dbraw/zinc/43/12/45/991431245.db2.gz ZJNVDTRAWRIAPJ-BETUJISGSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1ncc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)ccc21 ZINC001139952837 991431255 /nfs/dbraw/zinc/43/12/55/991431255.db2.gz ZJNVDTRAWRIAPJ-BETUJISGSA-N 1 2 243.310 1.546 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH2+]CC(F)F ZINC001258473535 991446529 /nfs/dbraw/zinc/44/65/29/991446529.db2.gz WGRIIEAKYJOQSH-SSDOTTSWSA-N 1 2 209.236 1.573 20 0 BDADLO c1cnnc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001139973984 991446915 /nfs/dbraw/zinc/44/69/15/991446915.db2.gz PMAHKSOAUPFDKC-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO c1cnnc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001139973984 991446920 /nfs/dbraw/zinc/44/69/20/991446920.db2.gz PMAHKSOAUPFDKC-GFCCVEGCSA-N 1 2 219.288 1.087 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1ccnnc1 ZINC001139980672 991453208 /nfs/dbraw/zinc/45/32/08/991453208.db2.gz WUOJSGFPLSXXMO-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1ccnnc1 ZINC001139980672 991453213 /nfs/dbraw/zinc/45/32/13/991453213.db2.gz WUOJSGFPLSXXMO-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO COC1CC[NH+](Cc2cnc(Cl)nc2)CC1 ZINC001139987203 991465446 /nfs/dbraw/zinc/46/54/46/991465446.db2.gz KEEWBBHECPBCNS-UHFFFAOYSA-N 1 2 241.722 1.741 20 0 BDADLO CCCn1c[nH+]cc1CN[C@@H](C)c1ncnn1C ZINC001560462156 991479024 /nfs/dbraw/zinc/47/90/24/991479024.db2.gz CIEJYKNWUWRXBQ-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccncc2)co1 ZINC001560475111 991483868 /nfs/dbraw/zinc/48/38/68/991483868.db2.gz OHQPBZAWGAHUAZ-UHFFFAOYSA-N 1 2 217.272 1.922 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc3cccnc3o2)n1 ZINC001560481011 991483967 /nfs/dbraw/zinc/48/39/67/991483967.db2.gz UWVNXGNEBFDGQG-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H](C)O ZINC001258594809 991491588 /nfs/dbraw/zinc/49/15/88/991491588.db2.gz OFFNWRUIEPBFQJ-VWYCJHECSA-N 1 2 243.347 1.467 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001140051012 991502491 /nfs/dbraw/zinc/50/24/91/991502491.db2.gz RYXKHAGOPPCUCR-NWDGAFQWSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001140051012 991502499 /nfs/dbraw/zinc/50/24/99/991502499.db2.gz RYXKHAGOPPCUCR-NWDGAFQWSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(F)c(CN2CCn3c[nH+]cc3C2)c1 ZINC001140051544 991504114 /nfs/dbraw/zinc/50/41/14/991504114.db2.gz MQRHRYOFZHYUMG-UHFFFAOYSA-N 1 2 247.273 1.744 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@@H](C)Cc1cccnc1 ZINC001258610745 991531348 /nfs/dbraw/zinc/53/13/48/991531348.db2.gz WWVUZUIYXLJLRZ-JTQLQIEISA-N 1 2 236.315 1.554 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@]1(C)CCCCO1 ZINC001560716876 991574447 /nfs/dbraw/zinc/57/44/47/991574447.db2.gz SDFDWHHKAUEXCR-GFCCVEGCSA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@]1(C)CCCCO1 ZINC001560716876 991574458 /nfs/dbraw/zinc/57/44/58/991574458.db2.gz SDFDWHHKAUEXCR-GFCCVEGCSA-N 1 2 229.320 1.441 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)Cc1cccnc1 ZINC001258633035 991579579 /nfs/dbraw/zinc/57/95/79/991579579.db2.gz FZRUOIKOLOAMLO-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)Cc1cccnc1 ZINC001258633035 991579591 /nfs/dbraw/zinc/57/95/91/991579591.db2.gz FZRUOIKOLOAMLO-SNVBAGLBSA-N 1 2 222.288 1.117 20 0 BDADLO COc1nc(C[NH2+]Cc2ccno2)ccc1C ZINC001560740848 991585717 /nfs/dbraw/zinc/58/57/17/991585717.db2.gz FFSGOJLQRRRKIP-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO O=C1CC[NH+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001140384810 991631598 /nfs/dbraw/zinc/63/15/98/991631598.db2.gz NXBLPOPJDCHSIE-UHFFFAOYSA-N 1 2 229.283 1.728 20 0 BDADLO Cn1cnnc1C[N@H+](C)C[C@]1(C)CCCCO1 ZINC001560870000 991632314 /nfs/dbraw/zinc/63/23/14/991632314.db2.gz VYFYJRBBPVTESX-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C[C@]1(C)CCCCO1 ZINC001560870000 991632319 /nfs/dbraw/zinc/63/23/19/991632319.db2.gz VYFYJRBBPVTESX-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cnnc1C[N@H+](C)C[C@@]1(C)CCCCO1 ZINC001560869999 991633258 /nfs/dbraw/zinc/63/32/58/991633258.db2.gz VYFYJRBBPVTESX-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cnnc1C[N@@H+](C)C[C@@]1(C)CCCCO1 ZINC001560869999 991633259 /nfs/dbraw/zinc/63/32/59/991633259.db2.gz VYFYJRBBPVTESX-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001560944809 991663892 /nfs/dbraw/zinc/66/38/92/991663892.db2.gz WRTVWFHZQAJOAS-LSJOCFKGSA-N 1 2 206.293 1.473 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001560944809 991663902 /nfs/dbraw/zinc/66/39/02/991663902.db2.gz WRTVWFHZQAJOAS-LSJOCFKGSA-N 1 2 206.293 1.473 20 0 BDADLO CSC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318618213 991688000 /nfs/dbraw/zinc/68/80/00/991688000.db2.gz SAVZZPGIQAIPSU-BDAKNGLRSA-N 1 2 227.333 1.312 20 0 BDADLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H]1C)n1cc[nH+]c1 ZINC001318661483 991694828 /nfs/dbraw/zinc/69/48/28/991694828.db2.gz MXYUGAGHGTZJCJ-VWYCJHECSA-N 1 2 221.304 1.701 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)Nc1nccs1 ZINC001562170911 991740889 /nfs/dbraw/zinc/74/08/89/991740889.db2.gz SKJISVYAGJXAIZ-UHFFFAOYSA-N 1 2 249.299 1.442 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001563780471 991756728 /nfs/dbraw/zinc/75/67/28/991756728.db2.gz CTDGPJZAHQQLKL-SCZZXKLOSA-N 1 2 234.303 1.119 20 0 BDADLO C[C@@H](C(=O)NCC1(C)CC1)n1cc[nH+]c1 ZINC001318989889 991760955 /nfs/dbraw/zinc/76/09/55/991760955.db2.gz LTMOECFUKZVVJK-VIFPVBQESA-N 1 2 207.277 1.360 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001566013418 991820038 /nfs/dbraw/zinc/82/00/38/991820038.db2.gz UIYYDXXHBCKOCL-UHFFFAOYSA-N 1 2 248.286 1.528 20 0 BDADLO COC(=O)[C@]1([NH2+][C@@H]2CCC[C@H](C)C2)CCOC1 ZINC001258816293 991829296 /nfs/dbraw/zinc/82/92/96/991829296.db2.gz AZZDJAANKLMMKW-LOWVWBTDSA-N 1 2 241.331 1.487 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cncc(C)c1 ZINC001566190807 991829910 /nfs/dbraw/zinc/82/99/10/991829910.db2.gz HLGNNXBNMHWZRR-LLVKDONJSA-N 1 2 219.288 1.423 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cncc(C)c1 ZINC001566190807 991829913 /nfs/dbraw/zinc/82/99/13/991829913.db2.gz HLGNNXBNMHWZRR-LLVKDONJSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1cn[nH]c1 ZINC001319731362 991955805 /nfs/dbraw/zinc/95/58/05/991955805.db2.gz ODLLUJAJPDBOJN-BDAKNGLRSA-N 1 2 233.275 1.045 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC001319757148 991969504 /nfs/dbraw/zinc/96/95/04/991969504.db2.gz WVBCZXROQUIBSB-WOPDTQHZSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1[nH+]cn(C)c1NS(=O)(=O)CC(C)C ZINC001259879289 992007098 /nfs/dbraw/zinc/00/70/98/992007098.db2.gz KOEIPYVUSYNCKR-UHFFFAOYSA-N 1 2 231.321 1.126 20 0 BDADLO CC(C)CONC(=O)c1cccc2[nH+]ccn21 ZINC001320040109 992079193 /nfs/dbraw/zinc/07/91/93/992079193.db2.gz PHHSZEQGRXWUDA-UHFFFAOYSA-N 1 2 233.271 1.652 20 0 BDADLO COC[C@H](C)C(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001567787132 992091621 /nfs/dbraw/zinc/09/16/21/992091621.db2.gz VQQBSVQGMSPJFN-NSHDSACASA-N 1 2 240.347 1.036 20 0 BDADLO CCCSCC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001567869641 992107959 /nfs/dbraw/zinc/10/79/59/992107959.db2.gz DTODUWZRBAUALI-JTQLQIEISA-N 1 2 248.367 1.290 20 0 BDADLO CCCSCC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001567869641 992107966 /nfs/dbraw/zinc/10/79/66/992107966.db2.gz DTODUWZRBAUALI-JTQLQIEISA-N 1 2 248.367 1.290 20 0 BDADLO CC1=CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001320206809 992133087 /nfs/dbraw/zinc/13/30/87/992133087.db2.gz OZATXPXZDSJIFZ-LLVKDONJSA-N 1 2 219.288 1.623 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC001260723801 992137272 /nfs/dbraw/zinc/13/72/72/992137272.db2.gz KHCMNJPBWXYQQL-LLVKDONJSA-N 1 2 248.392 1.141 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(C)[nH]n2)CC[C@@H]1C ZINC001320629898 992281905 /nfs/dbraw/zinc/28/19/05/992281905.db2.gz KFTMLQQAMJQKTP-JOYOIKCWSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(C)[nH]n2)CC[C@@H]1C ZINC001320629898 992281913 /nfs/dbraw/zinc/28/19/13/992281913.db2.gz KFTMLQQAMJQKTP-JOYOIKCWSA-N 1 2 223.320 1.575 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001569350997 992363693 /nfs/dbraw/zinc/36/36/93/992363693.db2.gz ULUZVCGPRWNPJE-NWDGAFQWSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001569350997 992363708 /nfs/dbraw/zinc/36/37/08/992363708.db2.gz ULUZVCGPRWNPJE-NWDGAFQWSA-N 1 2 244.354 1.973 20 0 BDADLO CN(CC1=CCCOC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001261753627 992488804 /nfs/dbraw/zinc/48/88/04/992488804.db2.gz VKTAGBLMYCJZJZ-UHFFFAOYSA-N 1 2 249.314 1.147 20 0 BDADLO CN(CC1=CCCOC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001261753627 992488806 /nfs/dbraw/zinc/48/88/06/992488806.db2.gz VKTAGBLMYCJZJZ-UHFFFAOYSA-N 1 2 249.314 1.147 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCCOCC1 ZINC001261783578 992508181 /nfs/dbraw/zinc/50/81/81/992508181.db2.gz RLJDTNBSYKBMKB-QWRGUYRKSA-N 1 2 249.314 1.261 20 0 BDADLO CC1(CC(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC001261783171 992510915 /nfs/dbraw/zinc/51/09/15/992510915.db2.gz GKFMOGWUKJLXOI-VIFPVBQESA-N 1 2 219.288 1.634 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)n[nH]1 ZINC001321408541 992536967 /nfs/dbraw/zinc/53/69/67/992536967.db2.gz NLOYLQRTLRWSCZ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc(C)n[nH]1 ZINC001321408541 992536976 /nfs/dbraw/zinc/53/69/76/992536976.db2.gz NLOYLQRTLRWSCZ-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](F)C2)nc(N)[nH+]1 ZINC001261851071 992544015 /nfs/dbraw/zinc/54/40/15/992544015.db2.gz HWWYMJZEDCVAIC-HTQZYQBOSA-N 1 2 225.271 1.455 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H](F)C2)[nH+]1 ZINC001261851071 992544025 /nfs/dbraw/zinc/54/40/25/992544025.db2.gz HWWYMJZEDCVAIC-HTQZYQBOSA-N 1 2 225.271 1.455 20 0 BDADLO O=c1[nH]c(C[N@H+]2CC=CCC2)nc2c1COCC2 ZINC001262013861 992601676 /nfs/dbraw/zinc/60/16/76/992601676.db2.gz PDFHLGCMAAQOIJ-UHFFFAOYSA-N 1 2 247.298 1.017 20 0 BDADLO O=c1[nH]c(C[N@@H+]2CC=CCC2)nc2c1COCC2 ZINC001262013861 992601678 /nfs/dbraw/zinc/60/16/78/992601678.db2.gz PDFHLGCMAAQOIJ-UHFFFAOYSA-N 1 2 247.298 1.017 20 0 BDADLO CN(C)C(=O)OCC[N@@H+]1CCC=C(Cl)C1 ZINC001262014449 992603071 /nfs/dbraw/zinc/60/30/71/992603071.db2.gz IQHFMZIZENAFJU-UHFFFAOYSA-N 1 2 232.711 1.513 20 0 BDADLO CN(C)C(=O)OCC[N@H+]1CCC=C(Cl)C1 ZINC001262014449 992603073 /nfs/dbraw/zinc/60/30/73/992603073.db2.gz IQHFMZIZENAFJU-UHFFFAOYSA-N 1 2 232.711 1.513 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cn(C)nn1 ZINC001262160776 992722208 /nfs/dbraw/zinc/72/22/08/992722208.db2.gz ORQHOALTOBDUPD-VHSXEESVSA-N 1 2 246.318 1.197 20 0 BDADLO C[NH2+]CC(=O)O[C@@H](C)c1ccc2c(c1)CCO2 ZINC001573895106 992754576 /nfs/dbraw/zinc/75/45/76/992754576.db2.gz AWDYPFKCCXVEDR-VIFPVBQESA-N 1 2 235.283 1.445 20 0 BDADLO C[C@@H](C(=O)N1CCn2cccc2C1)n1cc[nH+]c1 ZINC001262380610 992870610 /nfs/dbraw/zinc/87/06/10/992870610.db2.gz OMSAMZSANCRWAY-NSHDSACASA-N 1 2 244.298 1.288 20 0 BDADLO CCc1ccc(N2CC[C@@H]([C@H](C)O)C2)[nH+]c1 ZINC001262690071 993029962 /nfs/dbraw/zinc/02/99/62/993029962.db2.gz RJXPHURSIGMSPM-CMPLNLGQSA-N 1 2 220.316 1.851 20 0 BDADLO CO[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC001262735076 993055377 /nfs/dbraw/zinc/05/53/77/993055377.db2.gz RASUFODXFWHANM-WCQYABFASA-N 1 2 248.326 1.874 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/c1nccs1 ZINC001263377571 993257489 /nfs/dbraw/zinc/25/74/89/993257489.db2.gz FRERTNNMQYSSLC-NSCUHMNNSA-N 1 2 249.295 1.633 20 0 BDADLO CC[N@H+](Cc1cnn[nH]1)C[C@]1(C)CCCCO1 ZINC001576543488 993337472 /nfs/dbraw/zinc/33/74/72/993337472.db2.gz HOBKPKUGFWPCHV-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO CC[N@@H+](Cc1cnn[nH]1)C[C@]1(C)CCCCO1 ZINC001576543488 993337481 /nfs/dbraw/zinc/33/74/81/993337481.db2.gz HOBKPKUGFWPCHV-LBPRGKRZSA-N 1 2 238.335 1.586 20 0 BDADLO C[C@@]1(CO)CCN(c2cc(N)cc(Cl)[nH+]2)C1 ZINC000381626036 993409967 /nfs/dbraw/zinc/40/99/67/993409967.db2.gz LEMLDDNCKOQJEJ-LLVKDONJSA-N 1 2 241.722 1.526 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccc(C)n1C ZINC001263662713 993455374 /nfs/dbraw/zinc/45/53/74/993455374.db2.gz JUYJBEKXPOGEQR-UHFFFAOYSA-N 1 2 247.298 1.907 20 0 BDADLO CC1=C(C)CN(c2cc(N)nc[nH+]2)CC1 ZINC000382992921 993474917 /nfs/dbraw/zinc/47/49/17/993474917.db2.gz DTNDGFFYCRPRQO-UHFFFAOYSA-N 1 2 204.277 1.605 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC=CCC1 ZINC001263841815 993547766 /nfs/dbraw/zinc/54/77/66/993547766.db2.gz WFIBIOPADJYALM-AWEZNQCLSA-N 1 2 247.342 1.968 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001263987702 993639292 /nfs/dbraw/zinc/63/92/92/993639292.db2.gz SLNNEZXEJDSLFO-DGCLKSJQSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]1C1CCCC1 ZINC001263987704 993640611 /nfs/dbraw/zinc/64/06/11/993640611.db2.gz SLNNEZXEJDSLFO-YPMHNXCESA-N 1 2 247.342 1.895 20 0 BDADLO Cn1cc(C[NH2+][C@H]2COCc3ccccc32)nn1 ZINC000389808287 993764921 /nfs/dbraw/zinc/76/49/21/993764921.db2.gz BJBZPFWBUJTGAP-ZDUSSCGKSA-N 1 2 244.298 1.176 20 0 BDADLO Nc1ncc(C[N@@H+]2CCCC[C@@H](F)C2)cn1 ZINC000390251871 993780182 /nfs/dbraw/zinc/78/01/82/993780182.db2.gz KYMNFKQBYYNOOH-SNVBAGLBSA-N 1 2 224.283 1.213 20 0 BDADLO Nc1ncc(C[N@H+]2CCCC[C@@H](F)C2)cn1 ZINC000390251871 993780192 /nfs/dbraw/zinc/78/01/92/993780192.db2.gz KYMNFKQBYYNOOH-SNVBAGLBSA-N 1 2 224.283 1.213 20 0 BDADLO CC(=O)NCC[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001281685607 994173785 /nfs/dbraw/zinc/17/37/85/994173785.db2.gz ZFRMAIHEDGHBRZ-LURJTMIESA-N 1 2 244.232 1.391 20 0 BDADLO C/C(=C/c1ccco1)C(=O)NCc1c[nH+]cn1C ZINC001288040766 994457332 /nfs/dbraw/zinc/45/73/32/994457332.db2.gz LZSHCUAQWUYXRL-POHAHGRESA-N 1 2 245.282 1.733 20 0 BDADLO Cc1nn(C)cc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001333814283 994529282 /nfs/dbraw/zinc/52/92/82/994529282.db2.gz HBOZQUHYUOWHRV-VIFPVBQESA-N 1 2 233.275 1.125 20 0 BDADLO Cc1ccsc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001292235677 994605686 /nfs/dbraw/zinc/60/56/86/994605686.db2.gz LQOGHGPEFXZMQX-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnn(C(F)F)c1 ZINC001292447439 994614244 /nfs/dbraw/zinc/61/42/44/994614244.db2.gz SXQUUJUYQHMIFF-UHFFFAOYSA-N 1 2 241.201 1.183 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CCC=CO1 ZINC001292966995 994631738 /nfs/dbraw/zinc/63/17/38/994631738.db2.gz VYUMJYVNQXOYLC-GFCCVEGCSA-N 1 2 249.314 1.472 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001293488041 994656233 /nfs/dbraw/zinc/65/62/33/994656233.db2.gz MIJLTJARVLMAGU-HTQZYQBOSA-N 1 2 205.261 1.182 20 0 BDADLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001293488041 994656239 /nfs/dbraw/zinc/65/62/39/994656239.db2.gz MIJLTJARVLMAGU-HTQZYQBOSA-N 1 2 205.261 1.182 20 0 BDADLO C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(=O)[O-])c(C)c1 ZINC001598668048 994708480 /nfs/dbraw/zinc/70/84/80/994708480.db2.gz VAJGXRBXLVRQFF-JTQLQIEISA-N 1 2 236.315 1.391 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2ccncc21 ZINC001295926345 994785619 /nfs/dbraw/zinc/78/56/19/994785619.db2.gz BINCWAMXGMAVBP-NSHDSACASA-N 1 2 231.299 1.065 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CCc2ccncc21 ZINC001295926345 994785628 /nfs/dbraw/zinc/78/56/28/994785628.db2.gz BINCWAMXGMAVBP-NSHDSACASA-N 1 2 231.299 1.065 20 0 BDADLO CC[C@@](C)(CNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001298203530 994910823 /nfs/dbraw/zinc/91/08/23/994910823.db2.gz LONONJVNDHDGSB-LBPRGKRZSA-N 1 2 239.319 1.274 20 0 BDADLO CC[C@@](C)(CNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001298203530 994910836 /nfs/dbraw/zinc/91/08/36/994910836.db2.gz LONONJVNDHDGSB-LBPRGKRZSA-N 1 2 239.319 1.274 20 0 BDADLO CCC1(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001298268022 994914408 /nfs/dbraw/zinc/91/44/08/994914408.db2.gz PJJRQVQCXMIBHJ-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CCC1(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001298268022 994914422 /nfs/dbraw/zinc/91/44/22/994914422.db2.gz PJJRQVQCXMIBHJ-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO CC(F)(F)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001298641545 994942113 /nfs/dbraw/zinc/94/21/13/994942113.db2.gz YOWBNMHVOYIWKC-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO CC(F)(F)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001298641545 994942130 /nfs/dbraw/zinc/94/21/30/994942130.db2.gz YOWBNMHVOYIWKC-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@H]2C[C@@H]2F)[nH+]1 ZINC001304108568 995190453 /nfs/dbraw/zinc/19/04/53/995190453.db2.gz VYVDFEPANYTKSA-IUCAKERBSA-N 1 2 225.267 1.507 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@H]2C[C@@H]2F)c[nH+]1 ZINC001304108568 995190457 /nfs/dbraw/zinc/19/04/57/995190457.db2.gz VYVDFEPANYTKSA-IUCAKERBSA-N 1 2 225.267 1.507 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001306005173 995239659 /nfs/dbraw/zinc/23/96/59/995239659.db2.gz JWCFDONKSLSZAQ-QJPTWQEYSA-N 1 2 249.314 1.099 20 0 BDADLO Cc1cc(CNc2ncc(C=O)cn2)cc(C)[nH+]1 ZINC001307144611 995297153 /nfs/dbraw/zinc/29/71/53/995297153.db2.gz AHWVCDRREGWKCK-UHFFFAOYSA-N 1 2 242.282 1.913 20 0 BDADLO CCc1cn(CC(=O)C2CCOCC2)c[nH+]1 ZINC001307397936 995342416 /nfs/dbraw/zinc/34/24/16/995342416.db2.gz YHGDUBAAKXSTMR-UHFFFAOYSA-N 1 2 222.288 1.441 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H](C)OC)CCCCC1 ZINC001307545680 995401612 /nfs/dbraw/zinc/40/16/12/995401612.db2.gz QCVPUKFCEVMHKV-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CC[C@@H]([NH2+]CCn1cccn1)c1noc(C)n1 ZINC001307667273 995429151 /nfs/dbraw/zinc/42/91/51/995429151.db2.gz BDYWPHSMKMPDMS-SNVBAGLBSA-N 1 2 235.291 1.315 20 0 BDADLO COCC[N@H+](CC1=NOCC1)Cc1cccnc1 ZINC001307686588 995432841 /nfs/dbraw/zinc/43/28/41/995432841.db2.gz UQFYLCLCULPBAA-UHFFFAOYSA-N 1 2 249.314 1.306 20 0 BDADLO COCC[N@@H+](CC1=NOCC1)Cc1cccnc1 ZINC001307686588 995432848 /nfs/dbraw/zinc/43/28/48/995432848.db2.gz UQFYLCLCULPBAA-UHFFFAOYSA-N 1 2 249.314 1.306 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001307724419 995445871 /nfs/dbraw/zinc/44/58/71/995445871.db2.gz PIGGENJHIVOQBB-KWQFWETISA-N 1 2 239.344 1.446 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001307724419 995445873 /nfs/dbraw/zinc/44/58/73/995445873.db2.gz PIGGENJHIVOQBB-KWQFWETISA-N 1 2 239.344 1.446 20 0 BDADLO COCCCC[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC001307852843 995487679 /nfs/dbraw/zinc/48/76/79/995487679.db2.gz SODOVTMJKPYODW-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO COCCCC[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC001307852843 995487682 /nfs/dbraw/zinc/48/76/82/995487682.db2.gz SODOVTMJKPYODW-VIFPVBQESA-N 1 2 227.308 1.797 20 0 BDADLO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccn[nH]1 ZINC000267214979 168313112 /nfs/dbraw/zinc/31/31/12/168313112.db2.gz CCJVJYXAWHHWAG-UHFFFAOYSA-N 1 2 239.319 1.621 20 0 BDADLO CSCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602102562 349442233 /nfs/dbraw/zinc/44/22/33/349442233.db2.gz PLBVPFKYAQABJP-RKDXNWHRSA-N 1 2 239.344 1.383 20 0 BDADLO CSCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602102562 349442238 /nfs/dbraw/zinc/44/22/38/349442238.db2.gz PLBVPFKYAQABJP-RKDXNWHRSA-N 1 2 239.344 1.383 20 0 BDADLO Cc1cc(C)nc(NCc2[nH+]ccn2C)n1 ZINC000070853845 177945140 /nfs/dbraw/zinc/94/51/40/177945140.db2.gz VGLNESBSWHMDOD-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CCC(CC)(CCO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000338317002 168320021 /nfs/dbraw/zinc/32/00/21/168320021.db2.gz SIJRMZXHSRNWME-UHFFFAOYSA-N 1 2 239.319 1.389 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000408374786 398142284 /nfs/dbraw/zinc/14/22/84/398142284.db2.gz MJZNJKCTXJXVOQ-SNVBAGLBSA-N 1 2 238.335 1.132 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](CO)C2)[nH]1 ZINC000408374786 398142287 /nfs/dbraw/zinc/14/22/87/398142287.db2.gz MJZNJKCTXJXVOQ-SNVBAGLBSA-N 1 2 238.335 1.132 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC12CC2 ZINC000425598177 192026039 /nfs/dbraw/zinc/02/60/39/192026039.db2.gz GWUBGDAOAUZQJJ-LLVKDONJSA-N 1 2 248.330 1.467 20 0 BDADLO C[C@@](O)(CNc1cccc[nH+]1)C(F)(F)F ZINC000271916481 398145491 /nfs/dbraw/zinc/14/54/91/398145491.db2.gz CBWIRAQVDCJLNF-MRVPVSSYSA-N 1 2 220.194 1.807 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCCc2ccccc2C1 ZINC000297490275 398145510 /nfs/dbraw/zinc/14/55/10/398145510.db2.gz MKZCDAVCURFJTJ-UHFFFAOYSA-N 1 2 228.299 1.753 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCCc2ccccc2C1 ZINC000297490275 398145513 /nfs/dbraw/zinc/14/55/13/398145513.db2.gz MKZCDAVCURFJTJ-UHFFFAOYSA-N 1 2 228.299 1.753 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCCc2ccccc2C1 ZINC000297490275 398145518 /nfs/dbraw/zinc/14/55/18/398145518.db2.gz MKZCDAVCURFJTJ-UHFFFAOYSA-N 1 2 228.299 1.753 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCCc2ccccc2C1 ZINC000297490275 398145521 /nfs/dbraw/zinc/14/55/21/398145521.db2.gz MKZCDAVCURFJTJ-UHFFFAOYSA-N 1 2 228.299 1.753 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCCc2ccccc2C1 ZINC000297490275 398145525 /nfs/dbraw/zinc/14/55/25/398145525.db2.gz MKZCDAVCURFJTJ-UHFFFAOYSA-N 1 2 228.299 1.753 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCCc2ccccc2C1 ZINC000297490275 398145528 /nfs/dbraw/zinc/14/55/28/398145528.db2.gz MKZCDAVCURFJTJ-UHFFFAOYSA-N 1 2 228.299 1.753 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000649864747 398146359 /nfs/dbraw/zinc/14/63/59/398146359.db2.gz IUGGAUULSRZHDV-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000649864747 398146361 /nfs/dbraw/zinc/14/63/61/398146361.db2.gz IUGGAUULSRZHDV-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CO[C@H](CNC(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000297843220 398146790 /nfs/dbraw/zinc/14/67/90/398146790.db2.gz SGUMMZHKDMAPDU-GFCCVEGCSA-N 1 2 249.314 1.937 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000649870785 398158881 /nfs/dbraw/zinc/15/88/81/398158881.db2.gz JNXXFZWWSPIOBV-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000649870785 398158884 /nfs/dbraw/zinc/15/88/84/398158884.db2.gz JNXXFZWWSPIOBV-SECBINFHSA-N 1 2 240.351 1.305 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@@H](C)CCO)no1 ZINC000649866978 398147856 /nfs/dbraw/zinc/14/78/56/398147856.db2.gz BDGCQTDPXXRIDP-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@@H](C)CCO)no1 ZINC000649866978 398147859 /nfs/dbraw/zinc/14/78/59/398147859.db2.gz BDGCQTDPXXRIDP-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO Cc1ccc(NC(=O)NCCn2cc[nH+]c2)cn1 ZINC000161988151 538920305 /nfs/dbraw/zinc/92/03/05/538920305.db2.gz JSUPBATYLZEUFC-UHFFFAOYSA-N 1 2 245.286 1.408 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000649865745 398148350 /nfs/dbraw/zinc/14/83/50/398148350.db2.gz BKIGHDBHVPLDPF-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000649865745 398148353 /nfs/dbraw/zinc/14/83/53/398148353.db2.gz BKIGHDBHVPLDPF-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO C[C@@H](N[C@H](C)C(F)F)c1[nH+]ccn1C ZINC000389908858 398148687 /nfs/dbraw/zinc/14/86/87/398148687.db2.gz CZKHCCBEAQOFAZ-RNFRBKRXSA-N 1 2 203.236 1.724 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(C)s1 ZINC000170916934 177995315 /nfs/dbraw/zinc/99/53/15/177995315.db2.gz BYXQMINIGVPEHH-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)c(C)s1 ZINC000170916934 177995317 /nfs/dbraw/zinc/99/53/17/177995317.db2.gz BYXQMINIGVPEHH-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)no1 ZINC000372735331 178005483 /nfs/dbraw/zinc/00/54/83/178005483.db2.gz FBCAJYOMLJNRON-WCQGTBRESA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)no1 ZINC000372735331 178005485 /nfs/dbraw/zinc/00/54/85/178005485.db2.gz FBCAJYOMLJNRON-WCQGTBRESA-N 1 2 249.314 1.069 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000649870611 398157595 /nfs/dbraw/zinc/15/75/95/398157595.db2.gz FRHGJTSFWCKHJR-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000649870611 398157602 /nfs/dbraw/zinc/15/76/02/398157602.db2.gz FRHGJTSFWCKHJR-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO CCn1cc[nH+]c1CN[C@H](C)C(F)F ZINC000385570524 398168672 /nfs/dbraw/zinc/16/86/72/398168672.db2.gz ZQUJPYGNRXFWNQ-SSDOTTSWSA-N 1 2 203.236 1.646 20 0 BDADLO Cc1cc(C[NH2+]Cc2cncs2)no1 ZINC000054788402 178026766 /nfs/dbraw/zinc/02/67/66/178026766.db2.gz SHZHCBHIFKTOED-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncn(C)n2)ccc1F ZINC000092851641 178030108 /nfs/dbraw/zinc/03/01/08/178030108.db2.gz HFJVSMYWKXMDES-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@@H]1CC[N@H+](CC2(F)CC2)CC[S@@]1=O ZINC000527528224 398171355 /nfs/dbraw/zinc/17/13/55/398171355.db2.gz IPEJTVLSNXRBBX-OTYXRUKQSA-N 1 2 219.325 1.331 20 0 BDADLO C[C@@H]1CC[N@@H+](CC2(F)CC2)CC[S@@]1=O ZINC000527528224 398171357 /nfs/dbraw/zinc/17/13/57/398171357.db2.gz IPEJTVLSNXRBBX-OTYXRUKQSA-N 1 2 219.325 1.331 20 0 BDADLO Cc1cc(C[NH2+][C@H](CO)c2ccccc2)no1 ZINC000182910966 178038793 /nfs/dbraw/zinc/03/87/93/178038793.db2.gz RDGGURUIDPOGAJ-CYBMUJFWSA-N 1 2 232.283 1.806 20 0 BDADLO CCc1cc(C)[nH+]c(N2CCCCN2)n1 ZINC000649366614 398176079 /nfs/dbraw/zinc/17/60/79/398176079.db2.gz IDDMIOWWWNSYLU-UHFFFAOYSA-N 1 2 206.293 1.452 20 0 BDADLO CCc1cc(C)nc(N2CCCCN2)[nH+]1 ZINC000649366614 398176080 /nfs/dbraw/zinc/17/60/80/398176080.db2.gz IDDMIOWWWNSYLU-UHFFFAOYSA-N 1 2 206.293 1.452 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)n(C)n1 ZINC000286347675 178044933 /nfs/dbraw/zinc/04/49/33/178044933.db2.gz HBKWOILPUJLLKU-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)CSC)c1[nH]cc[nH+]1 ZINC000300774716 398161508 /nfs/dbraw/zinc/16/15/08/398161508.db2.gz KRQXMPFOGZVDAZ-BDAKNGLRSA-N 1 2 241.360 1.976 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCCF ZINC000649882736 398161650 /nfs/dbraw/zinc/16/16/50/398161650.db2.gz ASVMXYYUDBKAOD-NSHDSACASA-N 1 2 227.283 1.153 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CCCF ZINC000649882736 398161655 /nfs/dbraw/zinc/16/16/55/398161655.db2.gz ASVMXYYUDBKAOD-NSHDSACASA-N 1 2 227.283 1.153 20 0 BDADLO Cc1cc(F)cc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000358338930 178076404 /nfs/dbraw/zinc/07/64/04/178076404.db2.gz OEBMZEBRILYAST-UHFFFAOYSA-N 1 2 246.241 1.909 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000162886003 178085352 /nfs/dbraw/zinc/08/53/52/178085352.db2.gz DTGWOECHPGHEIP-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000162886003 178085353 /nfs/dbraw/zinc/08/53/53/178085353.db2.gz DTGWOECHPGHEIP-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cc(N(C)C2CC(O)C2)nc(C(C)C)[nH+]1 ZINC000353279837 178097626 /nfs/dbraw/zinc/09/76/26/178097626.db2.gz YBMFXEKWEZYJNO-UHFFFAOYSA-N 1 2 235.331 1.868 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000649943022 398193538 /nfs/dbraw/zinc/19/35/38/398193538.db2.gz REENQEPGBQMCKP-GMTAPVOTSA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000649943022 398193541 /nfs/dbraw/zinc/19/35/41/398193541.db2.gz REENQEPGBQMCKP-GMTAPVOTSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000649942985 398193603 /nfs/dbraw/zinc/19/36/03/398193603.db2.gz XXWQVFYLROHMOM-QJPTWQEYSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000649942985 398193605 /nfs/dbraw/zinc/19/36/05/398193605.db2.gz XXWQVFYLROHMOM-QJPTWQEYSA-N 1 2 242.338 1.725 20 0 BDADLO Cc1cc(N(C)CCCO)nc(C(C)C)[nH+]1 ZINC000300810738 178098617 /nfs/dbraw/zinc/09/86/17/178098617.db2.gz KXVUESJGVCFEAJ-UHFFFAOYSA-N 1 2 223.320 1.727 20 0 BDADLO Cc1cc(N(C)CC[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000266269032 178099156 /nfs/dbraw/zinc/09/91/56/178099156.db2.gz QQQFXCRXUMAXQQ-JTQLQIEISA-N 1 2 235.331 1.870 20 0 BDADLO Cc1nc(CN(C)c2cc(C)[nH+]cn2)no1 ZINC000302155333 178100558 /nfs/dbraw/zinc/10/05/58/178100558.db2.gz IQUPLDGIVFTCPZ-UHFFFAOYSA-N 1 2 219.248 1.113 20 0 BDADLO Cc1cc(N(C)[C@@H](CO)CC(C)C)nc[nH+]1 ZINC000302375027 178101028 /nfs/dbraw/zinc/10/10/28/178101028.db2.gz HDVDXLHLOVRZRO-LLVKDONJSA-N 1 2 223.320 1.628 20 0 BDADLO COc1ccccc1C[NH2+]Cc1cnn[nH]1 ZINC000398298462 398195066 /nfs/dbraw/zinc/19/50/66/398195066.db2.gz KWMZRJJSIAEQOA-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO CC[C@H](C[N@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000576238154 365534243 /nfs/dbraw/zinc/53/42/43/365534243.db2.gz WLNNDJKHNUTBFP-WCBMZHEXSA-N 1 2 227.308 1.796 20 0 BDADLO CC[C@H](C[N@@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000576238154 365534244 /nfs/dbraw/zinc/53/42/44/365534244.db2.gz WLNNDJKHNUTBFP-WCBMZHEXSA-N 1 2 227.308 1.796 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000649395765 398196995 /nfs/dbraw/zinc/19/69/95/398196995.db2.gz KRXPQRAIXJIUST-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000649395765 398196996 /nfs/dbraw/zinc/19/69/96/398196996.db2.gz KRXPQRAIXJIUST-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000649395765 398196997 /nfs/dbraw/zinc/19/69/97/398196997.db2.gz KRXPQRAIXJIUST-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO Cc1cc(N)nc(S[C@H](C)C(=O)C2CC2)[nH+]1 ZINC000281011518 178109240 /nfs/dbraw/zinc/10/92/40/178109240.db2.gz ORXQRAUMLCBSCK-SSDOTTSWSA-N 1 2 237.328 1.827 20 0 BDADLO Cc1cc(N)nc(SCCn2cc[nH+]c2)n1 ZINC000148596013 178110236 /nfs/dbraw/zinc/11/02/36/178110236.db2.gz FBKSKTWPOXYLGH-UHFFFAOYSA-N 1 2 235.316 1.356 20 0 BDADLO Cc1cc(N)nc(SCc2ccn(C)n2)[nH+]1 ZINC000167642432 178110238 /nfs/dbraw/zinc/11/02/38/178110238.db2.gz INJPEYXFKFDRDR-UHFFFAOYSA-N 1 2 235.316 1.393 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cnn[nH]2)o1 ZINC000398339923 398200838 /nfs/dbraw/zinc/20/08/38/398200838.db2.gz UWYFRZAJTFZHFB-UHFFFAOYSA-N 1 2 206.249 1.250 20 0 BDADLO Cc1cc(N2CC[C@@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000265872693 178117204 /nfs/dbraw/zinc/11/72/04/178117204.db2.gz ZPYQPUSCLSCRKZ-SNVBAGLBSA-N 1 2 233.315 1.481 20 0 BDADLO Cc1cc(NC(=O)COc2cccnc2)cc[nH+]1 ZINC000169828599 178132042 /nfs/dbraw/zinc/13/20/42/178132042.db2.gz KKENONGPRSLIOQ-UHFFFAOYSA-N 1 2 243.266 1.803 20 0 BDADLO Cc1cc(NC(=O)N2CC3(C2)CCOC3)cc[nH+]1 ZINC000297712215 178136270 /nfs/dbraw/zinc/13/62/70/178136270.db2.gz JBNLEUQSEKIPHI-UHFFFAOYSA-N 1 2 247.298 1.644 20 0 BDADLO Cc1cc(NC(=O)N(C)CC[C@@H](C)O)cc[nH+]1 ZINC000271179764 178136455 /nfs/dbraw/zinc/13/64/55/178136455.db2.gz ZQWPJLHYXLZLSF-SNVBAGLBSA-N 1 2 237.303 1.625 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H]([C@@H](C)O)C2)cc[nH+]1 ZINC000183959784 178137035 /nfs/dbraw/zinc/13/70/35/178137035.db2.gz VHJJXZSCVUETEW-GHMZBOCLSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000119449963 178137067 /nfs/dbraw/zinc/13/70/67/178137067.db2.gz WMCMUSJCONHNQS-LLVKDONJSA-N 1 2 249.314 1.626 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H]([C@H](C)O)C2)cc[nH+]1 ZINC000183959805 178137460 /nfs/dbraw/zinc/13/74/60/178137460.db2.gz VHJJXZSCVUETEW-QWRGUYRKSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cnn[nH]2)c1C ZINC000398338879 398200533 /nfs/dbraw/zinc/20/05/33/398200533.db2.gz MAYWEXRPIMYMSJ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cccc(C[NH2+]Cc2c[nH]nn2)c1C ZINC000398338879 398200538 /nfs/dbraw/zinc/20/05/38/398200538.db2.gz MAYWEXRPIMYMSJ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cccc(C[NH2+]Cc2cn[nH]n2)c1C ZINC000398338879 398200543 /nfs/dbraw/zinc/20/05/43/398200543.db2.gz MAYWEXRPIMYMSJ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCOC2)cc[nH+]1 ZINC000119818754 178141662 /nfs/dbraw/zinc/14/16/62/178141662.db2.gz NZCACKRPMDDCAD-GHMZBOCLSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1nnc(C[N@H+](CCO)Cc2ccccc2)[nH]1 ZINC000292564940 398215657 /nfs/dbraw/zinc/21/56/57/398215657.db2.gz SACJRGOVCINJMJ-UHFFFAOYSA-N 1 2 246.314 1.108 20 0 BDADLO Cc1nnc(C[N@@H+](CCO)Cc2ccccc2)[nH]1 ZINC000292564940 398215661 /nfs/dbraw/zinc/21/56/61/398215661.db2.gz SACJRGOVCINJMJ-UHFFFAOYSA-N 1 2 246.314 1.108 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCCO2)cc[nH+]1 ZINC000154660574 178148336 /nfs/dbraw/zinc/14/83/36/178148336.db2.gz FYUPLBLCVADQHQ-LLVKDONJSA-N 1 2 220.272 1.898 20 0 BDADLO CCC[C@H]1C[C@H]1NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000576356450 365575130 /nfs/dbraw/zinc/57/51/30/365575130.db2.gz CXVZFAMVOQBFMH-SDDRHHMPSA-N 1 2 240.347 1.012 20 0 BDADLO Nc1nc(N2CC[C@@H](F)C2)[nH+]c2ccccc12 ZINC000649420359 398219280 /nfs/dbraw/zinc/21/92/80/398219280.db2.gz XXHZYSIPNBQXEF-MRVPVSSYSA-N 1 2 232.262 1.591 20 0 BDADLO Cc1cc(NCCCCO)nc(C2CC2)[nH+]1 ZINC000192803321 178160361 /nfs/dbraw/zinc/16/03/61/178160361.db2.gz MFBPSRYPXCSTTD-UHFFFAOYSA-N 1 2 221.304 1.847 20 0 BDADLO Cc1cc(NCCO)nc(-c2ccncc2)[nH+]1 ZINC000112072356 178161744 /nfs/dbraw/zinc/16/17/44/178161744.db2.gz ZNSKIVLZWAYKLM-UHFFFAOYSA-N 1 2 230.271 1.251 20 0 BDADLO Cc1cc(NCC[C@@H](O)C(C)C)nc[nH+]1 ZINC000301400698 178162890 /nfs/dbraw/zinc/16/28/90/178162890.db2.gz BTFGKIFCFWJYRL-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NCCc2cccnc2)nc[nH+]1 ZINC000040727267 178163603 /nfs/dbraw/zinc/16/36/03/178163603.db2.gz KXUBPEXKTVYJAG-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO Cc1cc(N[C@H]2CCCNC2=O)nc(C(C)C)[nH+]1 ZINC000050396677 178189059 /nfs/dbraw/zinc/18/90/59/178189059.db2.gz GMBZMXFBUJIPLN-JTQLQIEISA-N 1 2 248.330 1.599 20 0 BDADLO C[C@H](CF)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000650035563 398224739 /nfs/dbraw/zinc/22/47/39/398224739.db2.gz UXBBHONGKPYFJC-RKDXNWHRSA-N 1 2 213.256 1.308 20 0 BDADLO Cc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000302033852 178168335 /nfs/dbraw/zinc/16/83/35/178168335.db2.gz OJGBZAGKOFVQRQ-SNVBAGLBSA-N 1 2 246.314 1.208 20 0 BDADLO Cc1cc(NCc2cnnn2C)nc(C2CC2)[nH+]1 ZINC000288164954 178176533 /nfs/dbraw/zinc/17/65/33/178176533.db2.gz HXLLQJBCPZCXNR-UHFFFAOYSA-N 1 2 244.302 1.403 20 0 BDADLO Cc1cc(NCc2nc[nH]n2)nc(C2CC2)[nH+]1 ZINC000265368114 178176854 /nfs/dbraw/zinc/17/68/54/178176854.db2.gz NYCCQWLERAIOHI-UHFFFAOYSA-N 1 2 230.275 1.393 20 0 BDADLO Cc1cc(NCc2nnc[nH]2)nc(C2CC2)[nH+]1 ZINC000265368114 178176856 /nfs/dbraw/zinc/17/68/56/178176856.db2.gz NYCCQWLERAIOHI-UHFFFAOYSA-N 1 2 230.275 1.393 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@@H]2[NH+](C)C)ncn1 ZINC000309962651 178181658 /nfs/dbraw/zinc/18/16/58/178181658.db2.gz MAIMWWIUJXHBIV-MNOVXSKESA-N 1 2 220.320 1.680 20 0 BDADLO Cc1cc(N[C@@H]2CCCC[C@H]2O)nc(C)[nH+]1 ZINC000052006974 178181677 /nfs/dbraw/zinc/18/16/77/178181677.db2.gz MJJOAZMGXVOBBL-GHMZBOCLSA-N 1 2 221.304 1.809 20 0 BDADLO Cc1cc(N[C@@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000300922328 178182183 /nfs/dbraw/zinc/18/21/83/178182183.db2.gz ZQRAWTGUCSUUAF-PSASIEDQSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]cn1)CC2 ZINC000110509241 178183382 /nfs/dbraw/zinc/18/33/82/178183382.db2.gz AVDWAAGPNJDJHD-SNVBAGLBSA-N 1 2 244.302 1.112 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276480491 538932677 /nfs/dbraw/zinc/93/26/77/538932677.db2.gz RUVGISWGXHRSDF-RKDXNWHRSA-N 1 2 207.277 1.115 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276480491 538932678 /nfs/dbraw/zinc/93/26/78/538932678.db2.gz RUVGISWGXHRSDF-RKDXNWHRSA-N 1 2 207.277 1.115 20 0 BDADLO O=S(=O)(NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000070820073 361769971 /nfs/dbraw/zinc/76/99/71/361769971.db2.gz MYVGQXIENCMMTD-UHFFFAOYSA-N 1 2 243.332 1.162 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)NC1CCCCC1 ZINC000070819906 361770002 /nfs/dbraw/zinc/77/00/02/361770002.db2.gz PIOJXFYNTAIVGD-UHFFFAOYSA-N 1 2 222.292 1.542 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)c2[nH+]ccn21 ZINC000650075931 398232613 /nfs/dbraw/zinc/23/26/13/398232613.db2.gz CDRMFYRCXLBWMB-AXFHLTTASA-N 1 2 249.314 1.574 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000276583160 538932864 /nfs/dbraw/zinc/93/28/64/538932864.db2.gz LZGSAMKGANENIM-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000276583160 538932866 /nfs/dbraw/zinc/93/28/66/538932866.db2.gz LZGSAMKGANENIM-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H](CC(=O)N1CCOC[C@@H]1C)n1cc[nH+]c1 ZINC000650064659 398230275 /nfs/dbraw/zinc/23/02/75/398230275.db2.gz KDZZTAUYLHYZTJ-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CCC(CC)CNC(=O)CCc1c[nH+]cn1C ZINC000276505028 538933360 /nfs/dbraw/zinc/93/33/60/538933360.db2.gz AHTJZPVKPBWNAA-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CC/C=C\CC[N@@H+]1CCN(C(=O)CC)C1 ZINC000425508335 398230436 /nfs/dbraw/zinc/23/04/36/398230436.db2.gz HMBMZFIGRMXZPB-WAYWQWQTSA-N 1 2 210.321 1.854 20 0 BDADLO CC/C=C\CC[N@H+]1CCN(C(=O)CC)C1 ZINC000425508335 398230439 /nfs/dbraw/zinc/23/04/39/398230439.db2.gz HMBMZFIGRMXZPB-WAYWQWQTSA-N 1 2 210.321 1.854 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc3n2CCCCC3)[C@H]1C ZINC000334233914 136224667 /nfs/dbraw/zinc/22/46/67/136224667.db2.gz YPORDLSTRBBYOZ-QWRGUYRKSA-N 1 2 234.347 1.845 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc3n2CCCCC3)[C@H]1C ZINC000334233914 136224668 /nfs/dbraw/zinc/22/46/68/136224668.db2.gz YPORDLSTRBBYOZ-QWRGUYRKSA-N 1 2 234.347 1.845 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)no1 ZINC000290853147 178231663 /nfs/dbraw/zinc/23/16/63/178231663.db2.gz ZRMIAPCLNAGDGU-NXEZZACHSA-N 1 2 249.314 1.397 20 0 BDADLO C[N@@H+]1CCO[C@H](CSCC(=O)C(C)(C)C)C1 ZINC000400940730 259305993 /nfs/dbraw/zinc/30/59/93/259305993.db2.gz ZBNJQFZRTKZCEF-JTQLQIEISA-N 1 2 245.388 1.665 20 0 BDADLO C[N@H+]1CCO[C@H](CSCC(=O)C(C)(C)C)C1 ZINC000400940730 259305995 /nfs/dbraw/zinc/30/59/95/259305995.db2.gz ZBNJQFZRTKZCEF-JTQLQIEISA-N 1 2 245.388 1.665 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000280072893 538936289 /nfs/dbraw/zinc/93/62/89/538936289.db2.gz ZGEYEQCEXMBYDN-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000280072893 538936291 /nfs/dbraw/zinc/93/62/91/538936291.db2.gz ZGEYEQCEXMBYDN-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)no1 ZINC000281058567 178253518 /nfs/dbraw/zinc/25/35/18/178253518.db2.gz RPDZQDXDQKEMAU-VHSXEESVSA-N 1 2 237.303 1.302 20 0 BDADLO C[C@H]1CC[C@H](n2cc(C[N@H+](C)CCO)nn2)C1 ZINC000629941406 361785365 /nfs/dbraw/zinc/78/53/65/361785365.db2.gz JKKNEBYREIXIJX-JQWIXIFHSA-N 1 2 238.335 1.063 20 0 BDADLO C[C@H]1CC[C@H](n2cc(C[N@@H+](C)CCO)nn2)C1 ZINC000629941406 361785370 /nfs/dbraw/zinc/78/53/70/361785370.db2.gz JKKNEBYREIXIJX-JQWIXIFHSA-N 1 2 238.335 1.063 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)CC(=O)OC)OC ZINC000602441422 349527624 /nfs/dbraw/zinc/52/76/24/349527624.db2.gz FYPDVFMFYVRZMZ-ZJUUUORDSA-N 1 2 217.309 1.152 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)CC(=O)OC)OC ZINC000602441422 349527626 /nfs/dbraw/zinc/52/76/26/349527626.db2.gz FYPDVFMFYVRZMZ-ZJUUUORDSA-N 1 2 217.309 1.152 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)n1 ZINC000631235617 361819161 /nfs/dbraw/zinc/81/91/61/361819161.db2.gz XZYGYYZHMHIDFD-XPUUQOCRSA-N 1 2 237.225 1.119 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ncc[nH]1)C(=O)NC(C)(C)C ZINC000285987297 538942565 /nfs/dbraw/zinc/94/25/65/538942565.db2.gz HYONSBUZODMGNQ-RKDXNWHRSA-N 1 2 238.335 1.364 20 0 BDADLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ncc[nH]1 ZINC000286146169 538943135 /nfs/dbraw/zinc/94/31/35/538943135.db2.gz PDJZEPOTDMEPJZ-TVYUQYBPSA-N 1 2 243.310 1.719 20 0 BDADLO COCC(C)(C)CNc1nc(C)[nH+]cc1C ZINC000580901801 398250919 /nfs/dbraw/zinc/25/09/19/398250919.db2.gz BUKKZBHKWXNNKC-UHFFFAOYSA-N 1 2 223.320 1.600 20 0 BDADLO Cc1cc[nH+]c(NCCCOCCO)c1Cl ZINC000336688509 178309637 /nfs/dbraw/zinc/30/96/37/178309637.db2.gz JUGLREJDIJXFSR-UHFFFAOYSA-N 1 2 244.722 1.276 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)Cn1cc[nH+]c1 ZINC000576620206 365640410 /nfs/dbraw/zinc/64/04/10/365640410.db2.gz QYLWCSDTTQEGPB-LLVKDONJSA-N 1 2 223.320 1.778 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(C2CC2)[nH]n1 ZINC000287182533 538944614 /nfs/dbraw/zinc/94/46/14/538944614.db2.gz KFMCOQDWFJEHIB-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(C2CC2)[nH]n1 ZINC000287182533 538944616 /nfs/dbraw/zinc/94/46/16/538944616.db2.gz KFMCOQDWFJEHIB-UHFFFAOYSA-N 1 2 245.286 1.582 20 0 BDADLO COc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000552802165 398253877 /nfs/dbraw/zinc/25/38/77/398253877.db2.gz ZVIYFSAFWOAGDC-UHFFFAOYSA-N 1 2 249.314 1.371 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ncc[nH]1 ZINC000289574587 538945886 /nfs/dbraw/zinc/94/58/86/538945886.db2.gz BDLXJYYWKCZSRJ-SNVBAGLBSA-N 1 2 245.330 1.722 20 0 BDADLO C[C@@H](NCc1ncccc1N(C)C)c1[nH]cc[nH+]1 ZINC000289574587 538945887 /nfs/dbraw/zinc/94/58/87/538945887.db2.gz BDLXJYYWKCZSRJ-SNVBAGLBSA-N 1 2 245.330 1.722 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCCn1cccc1 ZINC000291317848 538947488 /nfs/dbraw/zinc/94/74/88/538947488.db2.gz ULAPOWHJPHRJFM-UHFFFAOYSA-N 1 2 246.314 1.318 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccnc1 ZINC000576716283 365668722 /nfs/dbraw/zinc/66/87/22/365668722.db2.gz VQNHUOJIMGYSIM-SNVBAGLBSA-N 1 2 244.298 1.300 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccnc1 ZINC000576716283 365668729 /nfs/dbraw/zinc/66/87/29/365668729.db2.gz VQNHUOJIMGYSIM-SNVBAGLBSA-N 1 2 244.298 1.300 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCOCC(F)F ZINC000576718107 365668752 /nfs/dbraw/zinc/66/87/52/365668752.db2.gz RKDULJAPJMZPJO-UHFFFAOYSA-N 1 2 231.246 1.209 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCc1ccco1 ZINC000290440538 538946921 /nfs/dbraw/zinc/94/69/21/538946921.db2.gz BUFMFEJNKCRUSC-UHFFFAOYSA-N 1 2 234.259 1.013 20 0 BDADLO CCc1cc(CC)nc(NCc2c[nH+]cn2C)n1 ZINC000291143111 538947188 /nfs/dbraw/zinc/94/71/88/538947188.db2.gz OEBHEJPSCGQAOS-UHFFFAOYSA-N 1 2 245.330 1.947 20 0 BDADLO Cc1cnc(C)c(NCc2c[nH+]cn2C)n1 ZINC000291223055 538947316 /nfs/dbraw/zinc/94/73/16/538947316.db2.gz WCVGREHUXJYHQT-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1ccsc1 ZINC000291204100 538947378 /nfs/dbraw/zinc/94/73/78/538947378.db2.gz FFABRZGZHXUCJK-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO Cc1cscc1C(=O)NCc1c[nH+]cn1C ZINC000291344865 538947531 /nfs/dbraw/zinc/94/75/31/538947531.db2.gz WYPDWJDACHUXAN-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC1=CCCCC1 ZINC000291504054 538948036 /nfs/dbraw/zinc/94/80/36/538948036.db2.gz SLFLPDWONNPJES-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@H]1C=CCCC1 ZINC000291528328 538948152 /nfs/dbraw/zinc/94/81/52/538948152.db2.gz VTSUOZDVVUYLDC-NSHDSACASA-N 1 2 233.315 1.783 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@]12C[C@H]1CCCC2 ZINC000636726916 349552121 /nfs/dbraw/zinc/55/21/21/349552121.db2.gz RSBGHLKHNJZTGL-ZWNOBZJWSA-N 1 2 248.330 1.552 20 0 BDADLO CCC[C@@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000602483636 349566254 /nfs/dbraw/zinc/56/62/54/349566254.db2.gz JJNCBWWDERUDDL-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000602483636 349566258 /nfs/dbraw/zinc/56/62/58/349566258.db2.gz JJNCBWWDERUDDL-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[C@H]2C1 ZINC000619373224 343998947 /nfs/dbraw/zinc/99/89/47/343998947.db2.gz UCRRBZZAYVPMCZ-TUAOUCFPSA-N 1 2 245.326 1.314 20 0 BDADLO Cc1ccc(NC(=O)c2ccon2)c(C)[nH+]1 ZINC000176187376 365686527 /nfs/dbraw/zinc/68/65/27/365686527.db2.gz FSKZGFLXBRYQFG-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO Cn1ncnc1CNc1[nH+]c2ccccc2n1C ZINC000179304592 538955157 /nfs/dbraw/zinc/95/51/57/538955157.db2.gz SEZCTSQYEUJERZ-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000649472549 398271548 /nfs/dbraw/zinc/27/15/48/398271548.db2.gz XFLFTDKLUOTXCZ-NSHDSACASA-N 1 2 221.304 1.048 20 0 BDADLO Cc1cncc(CC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000649472549 398271549 /nfs/dbraw/zinc/27/15/49/398271549.db2.gz XFLFTDKLUOTXCZ-NSHDSACASA-N 1 2 221.304 1.048 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000180257376 538957669 /nfs/dbraw/zinc/95/76/69/538957669.db2.gz JWNODXHTEZGPDL-WDEREUQCSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000180257376 538957670 /nfs/dbraw/zinc/95/76/70/538957670.db2.gz JWNODXHTEZGPDL-WDEREUQCSA-N 1 2 237.347 1.592 20 0 BDADLO CN1C[C@@H]([N@H+](C)Cc2nccs2)CCC1=O ZINC000580283209 346845724 /nfs/dbraw/zinc/84/57/24/346845724.db2.gz YKOWNWHQYXYBCC-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CN1C[C@@H]([N@@H+](C)Cc2nccs2)CCC1=O ZINC000580283209 346845727 /nfs/dbraw/zinc/84/57/27/346845727.db2.gz YKOWNWHQYXYBCC-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)no1 ZINC000172013830 346847304 /nfs/dbraw/zinc/84/73/04/346847304.db2.gz NSXZNYCQAQPOIH-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)no1 ZINC000172013830 346847308 /nfs/dbraw/zinc/84/73/08/346847308.db2.gz NSXZNYCQAQPOIH-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CCC(CC)NC(=O)NCc1[nH+]ccn1CC ZINC000297550428 168380107 /nfs/dbraw/zinc/38/01/07/168380107.db2.gz VFPKMQVYAABXCT-UHFFFAOYSA-N 1 2 238.335 1.891 20 0 BDADLO Cc1c[nH]c(CN2CC[C@@H](C)[S@@](=O)CC2)[nH+]1 ZINC000600152317 342691666 /nfs/dbraw/zinc/69/16/66/342691666.db2.gz WGVCBJNKBFAFIT-HWPZZCPQSA-N 1 2 241.360 1.061 20 0 BDADLO COC(=O)[C@@H](CC(F)F)NCc1[nH]cc(C)[nH+]1 ZINC000600157324 342692798 /nfs/dbraw/zinc/69/27/98/342692798.db2.gz UUVBACMOGHZCQF-SSDOTTSWSA-N 1 2 247.245 1.005 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399747428 342742495 /nfs/dbraw/zinc/74/24/95/342742495.db2.gz KSBYKTIYIVRNPA-YIZRAAEISA-N 1 2 236.319 1.548 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399747428 342742497 /nfs/dbraw/zinc/74/24/97/342742497.db2.gz KSBYKTIYIVRNPA-YIZRAAEISA-N 1 2 236.319 1.548 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccno2)n(C)n1 ZINC000231896227 342743366 /nfs/dbraw/zinc/74/33/66/342743366.db2.gz SPOQREZNDXXZEZ-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO CO[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C1CC1 ZINC000583939908 342728946 /nfs/dbraw/zinc/72/89/46/342728946.db2.gz IOAQIPDQXILUNX-SECBINFHSA-N 1 2 237.303 1.186 20 0 BDADLO CC[C@H](C[C@@H](C)CO)Nc1cc[nH+]c(C)n1 ZINC000309629166 342760278 /nfs/dbraw/zinc/76/02/78/342760278.db2.gz GONDUIZTIAWZAN-MWLCHTKSSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cc(CNC(=O)C2(O)CCC2)cc(C)[nH+]1 ZINC000335611641 136237089 /nfs/dbraw/zinc/23/70/89/136237089.db2.gz GXHJQMDAHAWNOM-UHFFFAOYSA-N 1 2 234.299 1.230 20 0 BDADLO COC1(C)CN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000335326266 536578579 /nfs/dbraw/zinc/57/85/79/536578579.db2.gz JLLPPZIOYYHKPX-UHFFFAOYSA-N 1 2 249.314 1.951 20 0 BDADLO CCc1cc(NCCn2cccn2)nc[nH+]1 ZINC000042541718 342777324 /nfs/dbraw/zinc/77/73/24/342777324.db2.gz IHCHTRMKKPDFMZ-UHFFFAOYSA-N 1 2 217.276 1.348 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(F)ccn1 ZINC000630019097 361901584 /nfs/dbraw/zinc/90/15/84/361901584.db2.gz RZOPPZWAQUVVTR-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(F)ccn1 ZINC000630019097 361901587 /nfs/dbraw/zinc/90/15/87/361901587.db2.gz RZOPPZWAQUVVTR-MRVPVSSYSA-N 1 2 248.261 1.761 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649487925 398286072 /nfs/dbraw/zinc/28/60/72/398286072.db2.gz VEXBGKZROACMRY-YPMHNXCESA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649487925 398286074 /nfs/dbraw/zinc/28/60/74/398286074.db2.gz VEXBGKZROACMRY-YPMHNXCESA-N 1 2 249.358 1.829 20 0 BDADLO C/C=C\CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000624656458 342810043 /nfs/dbraw/zinc/81/00/43/342810043.db2.gz QISKOAZGQBOJEN-SREVYHEPSA-N 1 2 235.335 1.471 20 0 BDADLO C/C=C\CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000624656458 342810045 /nfs/dbraw/zinc/81/00/45/342810045.db2.gz QISKOAZGQBOJEN-SREVYHEPSA-N 1 2 235.335 1.471 20 0 BDADLO COC(=O)c1cc(CNc2ccc(C)[nH+]c2)on1 ZINC000602574906 349624237 /nfs/dbraw/zinc/62/42/37/349624237.db2.gz GPOGUGCTNXBKQF-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](OC)C2)nc[nH+]1 ZINC000624725747 342822680 /nfs/dbraw/zinc/82/26/80/342822680.db2.gz LGUXYMRYWBIWJU-MGCOHNPYSA-N 1 2 207.277 1.628 20 0 BDADLO CO[C@H]1C[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000624754372 342824848 /nfs/dbraw/zinc/82/48/48/342824848.db2.gz JSMCXOUYLKKJIU-AOOOYVTPSA-N 1 2 207.277 1.044 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000335464469 398289412 /nfs/dbraw/zinc/28/94/12/398289412.db2.gz JTEULFLSWGIGHO-FVMDXXJSSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000335464469 398289417 /nfs/dbraw/zinc/28/94/17/398289417.db2.gz JTEULFLSWGIGHO-FVMDXXJSSA-N 1 2 241.360 1.061 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)nn1C ZINC000335620890 136239617 /nfs/dbraw/zinc/23/96/17/136239617.db2.gz FJYWEKWAFFRSDR-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)nn1C ZINC000335620890 136239618 /nfs/dbraw/zinc/23/96/18/136239618.db2.gz FJYWEKWAFFRSDR-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO CCOC1CC[NH+](Cc2cocn2)CC1 ZINC000191928886 538994037 /nfs/dbraw/zinc/99/40/37/538994037.db2.gz SPTSBHBPHYSZPA-UHFFFAOYSA-N 1 2 210.277 1.676 20 0 BDADLO c1ccc2[nH+]c(N3CC4(C3)CCCO4)[nH]c2c1 ZINC000624542243 344004109 /nfs/dbraw/zinc/00/41/09/344004109.db2.gz BSQAVULGUJEBRF-UHFFFAOYSA-N 1 2 229.283 1.932 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cocn1 ZINC000191088685 538990746 /nfs/dbraw/zinc/99/07/46/538990746.db2.gz JYASITDCRPFHBI-LBPRGKRZSA-N 1 2 246.314 1.918 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cocn1 ZINC000191088685 538990747 /nfs/dbraw/zinc/99/07/47/538990747.db2.gz JYASITDCRPFHBI-LBPRGKRZSA-N 1 2 246.314 1.918 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC3(C2)CCCO3)[nH+]1 ZINC000624542967 344004669 /nfs/dbraw/zinc/00/46/69/344004669.db2.gz FCAMVZFAPRMGDR-UHFFFAOYSA-N 1 2 244.298 1.636 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335623301 136240453 /nfs/dbraw/zinc/24/04/53/136240453.db2.gz YTQQXZMIDKZRSC-WPRPVWTQSA-N 1 2 239.344 1.401 20 0 BDADLO Oc1cccnc1C[NH2+]Cc1ccon1 ZINC000380018142 538983927 /nfs/dbraw/zinc/98/39/27/538983927.db2.gz VCZFAQWRYGFNDO-UHFFFAOYSA-N 1 2 205.217 1.065 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](CO)CC(F)F ZINC000381732445 539006627 /nfs/dbraw/zinc/00/66/27/539006627.db2.gz NRFKMDYQLFCYGM-XPUUQOCRSA-N 1 2 233.262 1.385 20 0 BDADLO Cc1nsc(N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000381818244 539007670 /nfs/dbraw/zinc/00/76/70/539007670.db2.gz JZKDCRPURLULQP-JTQLQIEISA-N 1 2 238.360 1.165 20 0 BDADLO Cc1nsc(N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000381818244 539007671 /nfs/dbraw/zinc/00/76/71/539007671.db2.gz JZKDCRPURLULQP-JTQLQIEISA-N 1 2 238.360 1.165 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)cs1 ZINC000381229328 538996919 /nfs/dbraw/zinc/99/69/19/538996919.db2.gz SBCGDYPYIAJZAR-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000381371182 538999065 /nfs/dbraw/zinc/99/90/65/538999065.db2.gz IIGIZUATHVUGKU-RKDXNWHRSA-N 1 2 221.304 1.347 20 0 BDADLO Cc1c[nH]nc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000640730637 361964235 /nfs/dbraw/zinc/96/42/35/361964235.db2.gz KLDQKPGOUUNJMI-VIFPVBQESA-N 1 2 247.302 1.568 20 0 BDADLO CC[C@]1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000493526756 529401030 /nfs/dbraw/zinc/40/10/30/529401030.db2.gz WACMTWRYCAYBOK-DSYXLKISSA-N 1 2 249.314 1.450 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000042334395 361980547 /nfs/dbraw/zinc/98/05/47/361980547.db2.gz MVTUULYXEJUXEX-LLVKDONJSA-N 1 2 238.331 1.968 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000042334395 361980550 /nfs/dbraw/zinc/98/05/50/361980550.db2.gz MVTUULYXEJUXEX-LLVKDONJSA-N 1 2 238.331 1.968 20 0 BDADLO Cn1cc(CNc2ccc3ccccc3[nH+]2)nn1 ZINC000389839728 539017336 /nfs/dbraw/zinc/01/73/36/539017336.db2.gz IAGJADHOWXVLAU-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO CCc1nn(C)cc1C[NH2+]CC(C)(F)F ZINC000382043397 398300315 /nfs/dbraw/zinc/30/03/15/398300315.db2.gz YJOBPXHZFZUCIR-UHFFFAOYSA-N 1 2 217.263 1.727 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000625045780 342844881 /nfs/dbraw/zinc/84/48/81/342844881.db2.gz ABRBKJYDCADSGU-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000625045780 342844883 /nfs/dbraw/zinc/84/48/83/342844883.db2.gz ABRBKJYDCADSGU-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)cs1 ZINC000335645151 136243282 /nfs/dbraw/zinc/24/32/82/136243282.db2.gz AYIKVTGRZWPRCX-JQWIXIFHSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)cs1 ZINC000335645151 136243283 /nfs/dbraw/zinc/24/32/83/136243283.db2.gz AYIKVTGRZWPRCX-JQWIXIFHSA-N 1 2 241.356 1.638 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)NCC(C)(C)C)[C@@H](C)CO1 ZINC000625057622 342847085 /nfs/dbraw/zinc/84/70/85/342847085.db2.gz QFAHOTOAZVMIHE-QWRGUYRKSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)C)[C@@H](C)CO1 ZINC000625057622 342847086 /nfs/dbraw/zinc/84/70/86/342847086.db2.gz QFAHOTOAZVMIHE-QWRGUYRKSA-N 1 2 242.363 1.258 20 0 BDADLO FC(F)CN1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000309596105 398304030 /nfs/dbraw/zinc/30/40/30/398304030.db2.gz UQRGJHNLFGKGFD-UHFFFAOYSA-N 1 2 230.262 1.551 20 0 BDADLO CC[C@@H](OC)C(=O)NCCCCn1cc[nH+]c1 ZINC000519471097 398305074 /nfs/dbraw/zinc/30/50/74/398305074.db2.gz PWAPPLLOOQXKEY-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000335646752 136243744 /nfs/dbraw/zinc/24/37/44/136243744.db2.gz MOKYFLIHYJIJIW-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000335646752 136243745 /nfs/dbraw/zinc/24/37/45/136243745.db2.gz MOKYFLIHYJIJIW-BXKDBHETSA-N 1 2 225.288 1.170 20 0 BDADLO CC[C@@H]1CCC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000631291619 342897531 /nfs/dbraw/zinc/89/75/31/342897531.db2.gz UXRNKFYHLUJHOD-NXEZZACHSA-N 1 2 235.335 1.253 20 0 BDADLO CC[C@@H]1CCC[C@@H]1CNc1nc(N)nc(C)[nH+]1 ZINC000631291619 342897532 /nfs/dbraw/zinc/89/75/32/342897532.db2.gz UXRNKFYHLUJHOD-NXEZZACHSA-N 1 2 235.335 1.253 20 0 BDADLO CC[C@@H]1COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813588 529409584 /nfs/dbraw/zinc/40/95/84/529409584.db2.gz PTDLFGWGQLIHRT-PGLGOXFNSA-N 1 2 235.287 1.060 20 0 BDADLO CCn1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC000628035545 342888767 /nfs/dbraw/zinc/88/87/67/342888767.db2.gz SCJMKQBDKVBFJA-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CCn1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC000628035545 342888769 /nfs/dbraw/zinc/88/87/69/342888769.db2.gz SCJMKQBDKVBFJA-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO Cc1nc(NCC[C@@H](O)C(C)C)cc[nH+]1 ZINC000078341892 342910768 /nfs/dbraw/zinc/91/07/68/342910768.db2.gz PNVQDPXLOPKCQD-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO Cn1c(Cl)cnc1C[NH2+]Cc1ccco1 ZINC000036804413 342911686 /nfs/dbraw/zinc/91/16/86/342911686.db2.gz FTVOPUPCSWVAMK-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO CC[C@@H]([NH2+]CCCOC1CCCC1)C(=O)OC ZINC000192842218 398324220 /nfs/dbraw/zinc/32/42/20/398324220.db2.gz XDIOZGKRSDYIEZ-GFCCVEGCSA-N 1 2 243.347 1.877 20 0 BDADLO CCCCc1cc(N[C@H]2CC(=O)N(C)C2)nc[nH+]1 ZINC000631093508 342924462 /nfs/dbraw/zinc/92/44/62/342924462.db2.gz XXCXRZFPBVWFQZ-NSHDSACASA-N 1 2 248.330 1.462 20 0 BDADLO C[C@@H]([NH2+]Cc1ccsc1)c1nncn1C ZINC000037016825 342915946 /nfs/dbraw/zinc/91/59/46/342915946.db2.gz COHRIBZLPBPLSN-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OC(C)(C)C ZINC000312992767 259328941 /nfs/dbraw/zinc/32/89/41/259328941.db2.gz OFYITQIHDDQGKN-NXEZZACHSA-N 1 2 243.347 1.731 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OC ZINC000602632132 349648871 /nfs/dbraw/zinc/64/88/71/349648871.db2.gz DVRNPQPVCIXTIA-VHSXEESVSA-N 1 2 227.304 1.097 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348251618 536630725 /nfs/dbraw/zinc/63/07/25/536630725.db2.gz WWKGHUHUMJHBMV-GJMOJQLCSA-N 1 2 239.237 1.821 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348251618 536630729 /nfs/dbraw/zinc/63/07/29/536630729.db2.gz WWKGHUHUMJHBMV-GJMOJQLCSA-N 1 2 239.237 1.821 20 0 BDADLO Cc1nc(N[C@H]2COCC2(C)C)cc[nH+]1 ZINC000313055893 259330232 /nfs/dbraw/zinc/33/02/32/259330232.db2.gz JBCZKBSDLXXVBD-VIFPVBQESA-N 1 2 207.277 1.622 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncsc3C2)n(C)n1 ZINC000418034609 398327912 /nfs/dbraw/zinc/32/79/12/398327912.db2.gz XGPUNFIPMZOLLW-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncsc3C2)n(C)n1 ZINC000418034609 398327913 /nfs/dbraw/zinc/32/79/13/398327913.db2.gz XGPUNFIPMZOLLW-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000495857455 529437019 /nfs/dbraw/zinc/43/70/19/529437019.db2.gz IAESZKGIIOCPMH-VHSXEESVSA-N 1 2 230.283 1.261 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000495857455 529437020 /nfs/dbraw/zinc/43/70/20/529437020.db2.gz IAESZKGIIOCPMH-VHSXEESVSA-N 1 2 230.283 1.261 20 0 BDADLO CC[C@@H](O)[C@@H](CC)Nc1cc(C)[nH+]cn1 ZINC000313092561 259330907 /nfs/dbraw/zinc/33/09/07/259330907.db2.gz JEKPMFCHDFTADA-NXEZZACHSA-N 1 2 209.293 1.746 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000602643381 349655252 /nfs/dbraw/zinc/65/52/52/349655252.db2.gz FTMHPUWVXQIRTP-PWSUYJOCSA-N 1 2 248.326 1.480 20 0 BDADLO CCc1[nH]nc(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000493111552 529469811 /nfs/dbraw/zinc/46/98/11/529469811.db2.gz CVNWUWHDDLVPBW-PLNGDYQASA-N 1 2 245.286 1.656 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H](O)C1CCCCC1 ZINC000354878559 398330905 /nfs/dbraw/zinc/33/09/05/398330905.db2.gz GYYVYFXPBWQRJS-NSHDSACASA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@H](F)C2)[nH]c1C ZINC000602677592 349670793 /nfs/dbraw/zinc/67/07/93/349670793.db2.gz YZIWPSOMUJADCH-VIFPVBQESA-N 1 2 240.278 1.654 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@H](F)C2)[nH]c1C ZINC000602677592 349670795 /nfs/dbraw/zinc/67/07/95/349670795.db2.gz YZIWPSOMUJADCH-VIFPVBQESA-N 1 2 240.278 1.654 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000602682055 349674391 /nfs/dbraw/zinc/67/43/91/349674391.db2.gz QDWRKHUWDUZJBC-VWYCJHECSA-N 1 2 229.320 1.484 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000602682864 349675383 /nfs/dbraw/zinc/67/53/83/349675383.db2.gz SOORZIQHEXNPHI-CIUDSAMLSA-N 1 2 235.274 1.960 20 0 BDADLO CO[C@](C)(C[NH2+][C@@H](C)C(=O)OC(C)C)C1CC1 ZINC000602679351 349671718 /nfs/dbraw/zinc/67/17/18/349671718.db2.gz DLVZEZDBTIZGLU-GXFFZTMASA-N 1 2 243.347 1.731 20 0 BDADLO CO[C@H](C[NH2+][C@@H](C)C(=O)OC(C)C)C1CC1 ZINC000602680763 349673522 /nfs/dbraw/zinc/67/35/22/349673522.db2.gz KHBSRSAVYRFKCN-GXSJLCMTSA-N 1 2 229.320 1.341 20 0 BDADLO CC[C@@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000493058079 529496777 /nfs/dbraw/zinc/49/67/77/529496777.db2.gz HEGWMCFXTZYYBC-FYJFLYSWSA-N 1 2 237.303 1.354 20 0 BDADLO O=c1c2c([nH]n1CCc1ccccc1)CC[NH2+]C2 ZINC000634593473 342951491 /nfs/dbraw/zinc/95/14/91/342951491.db2.gz PMLIVFDTAQBJHB-LBPRGKRZSA-N 1 2 243.310 1.037 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@@H]1CCOC1 ZINC000493186473 529502289 /nfs/dbraw/zinc/50/22/89/529502289.db2.gz HLDRQYANFBSTKR-DLRQAJBASA-N 1 2 246.310 1.597 20 0 BDADLO CCn1ncnc1C[N@H+](CC)C[C@@H]1CCCO1 ZINC000362908896 346903019 /nfs/dbraw/zinc/90/30/19/346903019.db2.gz LPXOHJSQLGIMCZ-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000362908896 346903025 /nfs/dbraw/zinc/90/30/25/346903025.db2.gz LPXOHJSQLGIMCZ-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)[C@@H](C)C2)o1 ZINC000351782361 136254145 /nfs/dbraw/zinc/25/41/45/136254145.db2.gz QCAYJNMVWOSRAS-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)o1 ZINC000351782361 136254146 /nfs/dbraw/zinc/25/41/46/136254146.db2.gz QCAYJNMVWOSRAS-IUCAKERBSA-N 1 2 225.292 1.006 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1C[C@H](C)[C@H]1C ZINC000493304741 529552127 /nfs/dbraw/zinc/55/21/27/529552127.db2.gz RGCZDXLODMPEJF-PFDYWKIBSA-N 1 2 233.315 1.783 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1CC12CC2 ZINC000493470454 529553283 /nfs/dbraw/zinc/55/32/83/529553283.db2.gz WCWUKSLCWNNHPA-UFFNRZRYSA-N 1 2 245.326 1.833 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccnn1C ZINC000492450921 529556004 /nfs/dbraw/zinc/55/60/04/529556004.db2.gz UQWHOVQTYFTGRC-SNAWJCMRSA-N 1 2 245.286 1.288 20 0 BDADLO Cc1ccnc([C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000309811919 342964279 /nfs/dbraw/zinc/96/42/79/342964279.db2.gz UJVNBNJERPMIBP-JTQLQIEISA-N 1 2 216.288 1.964 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cnns1 ZINC000493212824 529561261 /nfs/dbraw/zinc/56/12/61/529561261.db2.gz BZOLWELKOHHAOB-ARJAWSKDSA-N 1 2 249.299 1.406 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CC1CC1 ZINC000492528298 529549262 /nfs/dbraw/zinc/54/92/62/529549262.db2.gz FNMAQESGZFWHSG-VOTSOKGWSA-N 1 2 233.315 1.785 20 0 BDADLO CSCc1cnc(C[NH2+]C2(C)COC2)s1 ZINC000602742531 349710219 /nfs/dbraw/zinc/71/02/19/349710219.db2.gz ZVXAEFMQOISUNJ-UHFFFAOYSA-N 1 2 244.385 1.885 20 0 BDADLO Brc1c[nH]nc1C[NH2+][C@H]1CCOC1 ZINC000307689835 259338759 /nfs/dbraw/zinc/33/87/59/259338759.db2.gz HDPHYDLBVUGDBZ-LURJTMIESA-N 1 2 246.108 1.051 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000602777547 349743859 /nfs/dbraw/zinc/74/38/59/349743859.db2.gz FTQLXFUAGIEWGL-INIZCTEOSA-N 1 2 239.340 1.445 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000602777547 349743863 /nfs/dbraw/zinc/74/38/63/349743863.db2.gz FTQLXFUAGIEWGL-INIZCTEOSA-N 1 2 239.340 1.445 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000602787014 349750720 /nfs/dbraw/zinc/75/07/20/349750720.db2.gz NRRCJKSGIHYACB-SNVBAGLBSA-N 1 2 235.274 1.917 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000602787014 349750721 /nfs/dbraw/zinc/75/07/21/349750721.db2.gz NRRCJKSGIHYACB-SNVBAGLBSA-N 1 2 235.274 1.917 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCSC2)n1C ZINC000162667756 349773488 /nfs/dbraw/zinc/77/34/88/349773488.db2.gz QLLVOQPUVFBCJP-SECBINFHSA-N 1 2 226.349 1.061 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCSC2)n1C ZINC000162667756 349773491 /nfs/dbraw/zinc/77/34/91/349773491.db2.gz QLLVOQPUVFBCJP-SECBINFHSA-N 1 2 226.349 1.061 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336100744 136263467 /nfs/dbraw/zinc/26/34/67/136263467.db2.gz FDISMBLZCURTSC-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000399874842 343052272 /nfs/dbraw/zinc/05/22/72/343052272.db2.gz CLQSFFNKHAJHCX-JTQLQIEISA-N 1 2 248.282 1.021 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000399874842 343052275 /nfs/dbraw/zinc/05/22/75/343052275.db2.gz CLQSFFNKHAJHCX-JTQLQIEISA-N 1 2 248.282 1.021 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H]2CCSC2)no1 ZINC000162669943 349791930 /nfs/dbraw/zinc/79/19/30/349791930.db2.gz LGLZVRYZDGYYDJ-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H]2CCSC2)no1 ZINC000162669943 349791931 /nfs/dbraw/zinc/79/19/31/349791931.db2.gz LGLZVRYZDGYYDJ-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+]2CCOC(C)(C)C2)C1=O ZINC000175025274 362018860 /nfs/dbraw/zinc/01/88/60/362018860.db2.gz UACSUQHFVDDFGC-NSHDSACASA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[C@H]([N@H+]2CCOC(C)(C)C2)C1=O ZINC000175025274 362018868 /nfs/dbraw/zinc/01/88/68/362018868.db2.gz UACSUQHFVDDFGC-NSHDSACASA-N 1 2 240.347 1.107 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000642949248 488200224 /nfs/dbraw/zinc/20/02/24/488200224.db2.gz HIIPYYQCKYVGJR-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO CC[C@H](O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492890970 529687073 /nfs/dbraw/zinc/68/70/73/529687073.db2.gz CNVSLYDGNDLWSB-QRGHLMKCSA-N 1 2 237.303 1.090 20 0 BDADLO c1cn(Cc2cn([C@H]3C=CCCC3)nn2)c[nH+]1 ZINC000640946411 362088069 /nfs/dbraw/zinc/08/80/69/362088069.db2.gz YNSICPJJESWADV-LBPRGKRZSA-N 1 2 229.287 1.804 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ncccc2F)cn1 ZINC000525997841 259351844 /nfs/dbraw/zinc/35/18/44/259351844.db2.gz BGJLUHQCCDZDRM-UHFFFAOYSA-N 1 2 232.262 1.609 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579750 192355767 /nfs/dbraw/zinc/35/57/67/192355767.db2.gz UZKOVLBBSFLVLV-QWHCGFSZSA-N 1 2 248.326 1.740 20 0 BDADLO CS[C@@H](C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000576877745 365711644 /nfs/dbraw/zinc/71/16/44/365711644.db2.gz ISVOTMDCUAQCQS-ZETCQYMHSA-N 1 2 225.317 1.574 20 0 BDADLO Clc1cncc(NCCn2cc[nH+]c2)n1 ZINC000043538032 343133525 /nfs/dbraw/zinc/13/35/25/343133525.db2.gz IGNAPTXOKYBXHG-UHFFFAOYSA-N 1 2 223.667 1.439 20 0 BDADLO CCO[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579298 192355438 /nfs/dbraw/zinc/35/54/38/192355438.db2.gz UDVUDZJKGYWPKF-NSHDSACASA-N 1 2 236.315 1.740 20 0 BDADLO O=C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019474987 343141552 /nfs/dbraw/zinc/14/15/52/343141552.db2.gz SQMIXHCJWRQFCT-UHFFFAOYSA-N 1 2 207.248 1.991 20 0 BDADLO O[C@H]1C[C@H](Nc2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631376442 343144804 /nfs/dbraw/zinc/14/48/04/343144804.db2.gz VNNMDCAYMGJLLX-KYZUINATSA-N 1 2 244.298 1.192 20 0 BDADLO C[C@@H](NC(=O)c1cscn1)c1[nH]cc[nH+]1 ZINC000125198435 343166011 /nfs/dbraw/zinc/16/60/11/343166011.db2.gz GHESAPNGMCZLGL-ZCFIWIBFSA-N 1 2 222.273 1.357 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000125375039 343172848 /nfs/dbraw/zinc/17/28/48/343172848.db2.gz HJRDTJBFQVRPDU-NXEZZACHSA-N 1 2 219.288 1.943 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1[nH]cc[nH+]1 ZINC000125386784 343173041 /nfs/dbraw/zinc/17/30/41/343173041.db2.gz LBZKDEDNWXGGPK-NXEZZACHSA-N 1 2 219.288 1.943 20 0 BDADLO CC[N@H+](Cc1csnn1)C[C@@H]1CCOC1 ZINC000678151517 488207756 /nfs/dbraw/zinc/20/77/56/488207756.db2.gz NPJFHIQNFBRVLD-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO COC(=O)C[N@H+](Cc1ccno1)C1CCCC1 ZINC000167614744 343209629 /nfs/dbraw/zinc/20/96/29/343209629.db2.gz CHOHAKLYACJKFR-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccno1)C1CCCC1 ZINC000167614744 343209631 /nfs/dbraw/zinc/20/96/31/343209631.db2.gz CHOHAKLYACJKFR-UHFFFAOYSA-N 1 2 238.287 1.592 20 0 BDADLO C[C@H]1C[N@H+](Cc2noc(C3CCC3)n2)C[C@H]1O ZINC000625280609 343218689 /nfs/dbraw/zinc/21/86/89/343218689.db2.gz CSVQMWPJXFVXHI-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1C[N@@H+](Cc2noc(C3CCC3)n2)C[C@H]1O ZINC000625280609 343218691 /nfs/dbraw/zinc/21/86/91/343218691.db2.gz CSVQMWPJXFVXHI-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@H+](Cc2noc(C3CCC3)n2)C[C@@H]1O ZINC000625280605 343218962 /nfs/dbraw/zinc/21/89/62/343218962.db2.gz CSVQMWPJXFVXHI-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2noc(C3CCC3)n2)C[C@@H]1O ZINC000625280605 343218963 /nfs/dbraw/zinc/21/89/63/343218963.db2.gz CSVQMWPJXFVXHI-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO COc1c(N)[nH+]cnc1NCC(C1CC1)C1CC1 ZINC000134910744 343191591 /nfs/dbraw/zinc/19/15/91/343191591.db2.gz WUDONKBRXHMUTI-UHFFFAOYSA-N 1 2 248.330 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NCC(C1CC1)C1CC1 ZINC000134910744 343191592 /nfs/dbraw/zinc/19/15/92/343191592.db2.gz WUDONKBRXHMUTI-UHFFFAOYSA-N 1 2 248.330 1.916 20 0 BDADLO CCO[C@H](C[N@@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000625318318 343233956 /nfs/dbraw/zinc/23/39/56/343233956.db2.gz OLEIBRYZEGRODK-CYBMUJFWSA-N 1 2 249.358 1.822 20 0 BDADLO CCO[C@H](C[N@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000625318318 343233958 /nfs/dbraw/zinc/23/39/58/343233958.db2.gz OLEIBRYZEGRODK-CYBMUJFWSA-N 1 2 249.358 1.822 20 0 BDADLO c1nnsc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000625320126 343234342 /nfs/dbraw/zinc/23/43/42/343234342.db2.gz WQWRDJGZDIPUMZ-UHFFFAOYSA-N 1 2 225.317 1.151 20 0 BDADLO c1nnsc1C[N@H+]1CCOCC2(CC2)C1 ZINC000625320126 343234343 /nfs/dbraw/zinc/23/43/43/343234343.db2.gz WQWRDJGZDIPUMZ-UHFFFAOYSA-N 1 2 225.317 1.151 20 0 BDADLO COc1cc[nH+]c(Cn2cc(C3CC3)nn2)c1 ZINC000641030646 362144814 /nfs/dbraw/zinc/14/48/14/362144814.db2.gz DBXGZNLGQJLRFH-UHFFFAOYSA-N 1 2 230.271 1.607 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)C(F)F ZINC000641022260 362138438 /nfs/dbraw/zinc/13/84/38/362138438.db2.gz AGHYOOOBMIYDBL-YUMQZZPRSA-N 1 2 246.261 1.224 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384519660 343251134 /nfs/dbraw/zinc/25/11/34/343251134.db2.gz ATWRSERDNALCEO-GJMOJQLCSA-N 1 2 238.291 1.045 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384519660 343251135 /nfs/dbraw/zinc/25/11/35/343251135.db2.gz ATWRSERDNALCEO-GJMOJQLCSA-N 1 2 238.291 1.045 20 0 BDADLO CCO[C@@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000625367323 343260479 /nfs/dbraw/zinc/26/04/79/343260479.db2.gz XUCBBFZQLSVHAA-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000625367323 343260482 /nfs/dbraw/zinc/26/04/82/343260482.db2.gz XUCBBFZQLSVHAA-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000625367321 343260570 /nfs/dbraw/zinc/26/05/70/343260570.db2.gz XUCBBFZQLSVHAA-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000625367321 343260571 /nfs/dbraw/zinc/26/05/71/343260571.db2.gz XUCBBFZQLSVHAA-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO FCCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641049339 362160130 /nfs/dbraw/zinc/16/01/30/362160130.db2.gz JPEITTNKYAUBGS-UHFFFAOYSA-N 1 2 237.282 1.663 20 0 BDADLO CCOCc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030981 362146696 /nfs/dbraw/zinc/14/66/96/362146696.db2.gz ROGPHMRZEWGLLT-UHFFFAOYSA-N 1 2 248.286 1.267 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)no1 ZINC000621364493 343274938 /nfs/dbraw/zinc/27/49/38/343274938.db2.gz HGQPGJCLNFMKQK-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)no1 ZINC000621364493 343274939 /nfs/dbraw/zinc/27/49/39/343274939.db2.gz HGQPGJCLNFMKQK-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO c1nc(NC2CC2)cc(NC[C@@H]2CCCO2)[nH+]1 ZINC000240832899 343281351 /nfs/dbraw/zinc/28/13/51/343281351.db2.gz BFFYIIUNYUFOKR-JTQLQIEISA-N 1 2 234.303 1.642 20 0 BDADLO c1nc(NC[C@@H]2CCCO2)cc(NC2CC2)[nH+]1 ZINC000240832899 343281353 /nfs/dbraw/zinc/28/13/53/343281353.db2.gz BFFYIIUNYUFOKR-JTQLQIEISA-N 1 2 234.303 1.642 20 0 BDADLO CCS(=O)(=O)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000078259444 343367978 /nfs/dbraw/zinc/36/79/78/343367978.db2.gz DERVLRBYZCXNST-QMMMGPOBSA-N 1 2 243.332 1.020 20 0 BDADLO COCc1cnc(C[N@H+](C)C[C@H](C)OC)s1 ZINC000348835283 136301411 /nfs/dbraw/zinc/30/14/11/136301411.db2.gz SVHQOZAHRRJXGN-VIFPVBQESA-N 1 2 244.360 1.756 20 0 BDADLO COCc1cnc(C[N@@H+](C)C[C@H](C)OC)s1 ZINC000348835283 136301412 /nfs/dbraw/zinc/30/14/12/136301412.db2.gz SVHQOZAHRRJXGN-VIFPVBQESA-N 1 2 244.360 1.756 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000348835888 136301490 /nfs/dbraw/zinc/30/14/90/136301490.db2.gz VEIYGWQCISOABW-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000348835888 136301491 /nfs/dbraw/zinc/30/14/91/136301491.db2.gz VEIYGWQCISOABW-JTQLQIEISA-N 1 2 226.324 1.326 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1n[nH]cc1C ZINC000335674668 136317827 /nfs/dbraw/zinc/31/78/27/136317827.db2.gz YQGQTBBDYGVVKR-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1n[nH]cc1C ZINC000335674668 136317828 /nfs/dbraw/zinc/31/78/28/136317828.db2.gz YQGQTBBDYGVVKR-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc(CC[C@H](C)O)nn1 ZINC000641070974 362180938 /nfs/dbraw/zinc/18/09/38/362180938.db2.gz SMKILJAJLGUDMO-NSHDSACASA-N 1 2 246.314 1.343 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000335663584 136316081 /nfs/dbraw/zinc/31/60/81/136316081.db2.gz ACTPIGPEEOIPSE-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOCC2(CC2)C1 ZINC000335663584 136316082 /nfs/dbraw/zinc/31/60/82/136316082.db2.gz ACTPIGPEEOIPSE-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO CCc1nc(C[NH+]2CCC(SC)CC2)no1 ZINC000602923015 349807640 /nfs/dbraw/zinc/80/76/40/349807640.db2.gz YEYRXJVVGVXWLD-UHFFFAOYSA-N 1 2 241.360 1.959 20 0 BDADLO C=Cn1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000349381800 136344206 /nfs/dbraw/zinc/34/42/06/136344206.db2.gz ICFWJPRTPQWKBP-VIFPVBQESA-N 1 2 249.236 1.339 20 0 BDADLO C=Cn1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000349381800 136344207 /nfs/dbraw/zinc/34/42/07/136344207.db2.gz ICFWJPRTPQWKBP-VIFPVBQESA-N 1 2 249.236 1.339 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000335834719 136353225 /nfs/dbraw/zinc/35/32/25/136353225.db2.gz MRDCVGXXHCPGEN-MWLCHTKSSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000335834719 136353226 /nfs/dbraw/zinc/35/32/26/136353226.db2.gz MRDCVGXXHCPGEN-MWLCHTKSSA-N 1 2 216.300 1.287 20 0 BDADLO CC1(Cn2cc([C@@H]3COCC[NH2+]3)nn2)CCC1 ZINC000641087842 362210291 /nfs/dbraw/zinc/21/02/91/362210291.db2.gz LRLMBAGCOCHOJD-NSHDSACASA-N 1 2 236.319 1.129 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)NCc1[nH+]ccn1C ZINC000335737413 136350968 /nfs/dbraw/zinc/35/09/68/136350968.db2.gz CPPXQZKALCXYKT-UWVGGRQHSA-N 1 2 236.319 1.503 20 0 BDADLO c1cn2c([nH+]1)CN(C[C@H]1CCCCO1)CC2 ZINC000335704259 136335127 /nfs/dbraw/zinc/33/51/27/136335127.db2.gz XVCKJTLMUXZMON-LLVKDONJSA-N 1 2 221.304 1.268 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(C(C)=O)C[C@H]1C ZINC000335834718 136353042 /nfs/dbraw/zinc/35/30/42/136353042.db2.gz MRDCVGXXHCPGEN-KOLCDFICSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000335834718 136353043 /nfs/dbraw/zinc/35/30/43/136353043.db2.gz MRDCVGXXHCPGEN-KOLCDFICSA-N 1 2 216.300 1.287 20 0 BDADLO Fc1cccc2c1OCC[N@@H+]([C@@H]1CCOC1)C2 ZINC000335705672 136335845 /nfs/dbraw/zinc/33/58/45/136335845.db2.gz RGPMKIGUPIOMKT-LLVKDONJSA-N 1 2 237.274 1.809 20 0 BDADLO Fc1cccc2c1OCC[N@H+]([C@@H]1CCOC1)C2 ZINC000335705672 136335846 /nfs/dbraw/zinc/33/58/46/136335846.db2.gz RGPMKIGUPIOMKT-LLVKDONJSA-N 1 2 237.274 1.809 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000335713394 136338221 /nfs/dbraw/zinc/33/82/21/136338221.db2.gz RCRNTSRLPKGMPQ-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccncc1 ZINC000335713394 136338222 /nfs/dbraw/zinc/33/82/22/136338222.db2.gz RCRNTSRLPKGMPQ-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO OCCC[N@H+](Cc1cc[nH]n1)Cc1ccccn1 ZINC000349333471 136341982 /nfs/dbraw/zinc/34/19/82/136341982.db2.gz QTVKGWPHKVKURB-UHFFFAOYSA-N 1 2 246.314 1.189 20 0 BDADLO OCCC[N@@H+](Cc1cc[nH]n1)Cc1ccccn1 ZINC000349333471 136341983 /nfs/dbraw/zinc/34/19/83/136341983.db2.gz QTVKGWPHKVKURB-UHFFFAOYSA-N 1 2 246.314 1.189 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335896153 136359225 /nfs/dbraw/zinc/35/92/25/136359225.db2.gz VDSLYSSIEQZKFK-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO COCc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000350521266 136361730 /nfs/dbraw/zinc/36/17/30/136361730.db2.gz SNOFAFJVIOIQBJ-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO COCc1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000350521266 136361731 /nfs/dbraw/zinc/36/17/31/136361731.db2.gz SNOFAFJVIOIQBJ-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO CC1(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)COC1 ZINC000351107907 136368097 /nfs/dbraw/zinc/36/80/97/136368097.db2.gz ZQDOHXDCKGYKPL-JTQLQIEISA-N 1 2 221.304 1.583 20 0 BDADLO CC1(C[N@H+]2CCC[C@H]2c2ncc[nH]2)COC1 ZINC000351107907 136368098 /nfs/dbraw/zinc/36/80/98/136368098.db2.gz ZQDOHXDCKGYKPL-JTQLQIEISA-N 1 2 221.304 1.583 20 0 BDADLO Cc1nc(NCCc2cscn2)cc[nH+]1 ZINC000082626484 343457291 /nfs/dbraw/zinc/45/72/91/343457291.db2.gz QTSUVSOGWZDACK-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO Cc1sccc1C[NH+]1CC(n2ccnn2)C1 ZINC000335907721 136371004 /nfs/dbraw/zinc/37/10/04/136371004.db2.gz TVMXXUNXAVYLKN-UHFFFAOYSA-N 1 2 234.328 1.705 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)[C@@H](C)CO1 ZINC000247986805 136373299 /nfs/dbraw/zinc/37/32/99/136373299.db2.gz ZTJZZFXTNSUGFG-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)[C@@H](C)CO1 ZINC000247986805 136373300 /nfs/dbraw/zinc/37/33/00/136373300.db2.gz ZTJZZFXTNSUGFG-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000271193025 136375160 /nfs/dbraw/zinc/37/51/60/136375160.db2.gz QJKMDNLPSUNXEM-DTWKUNHWSA-N 1 2 249.236 1.297 20 0 BDADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000271193025 136375161 /nfs/dbraw/zinc/37/51/61/136375161.db2.gz QJKMDNLPSUNXEM-DTWKUNHWSA-N 1 2 249.236 1.297 20 0 BDADLO Cc1noc([C@H](C)N(C)Cc2cc[nH+]c(N)c2)n1 ZINC000574888166 343477931 /nfs/dbraw/zinc/47/79/31/343477931.db2.gz PIWBWKIWXLFQSR-QMMMGPOBSA-N 1 2 247.302 1.379 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)c1ccc(F)cc1 ZINC000082818293 343467470 /nfs/dbraw/zinc/46/74/70/343467470.db2.gz OBVQTAPGMHATEC-MRXNPFEDSA-N 1 2 238.287 1.867 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000631299197 343509847 /nfs/dbraw/zinc/50/98/47/343509847.db2.gz VMJHKXYEHBWZES-SNVBAGLBSA-N 1 2 231.303 1.539 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421559812 192362021 /nfs/dbraw/zinc/36/20/21/192362021.db2.gz QGERJHBXSQICKL-AXFHLTTASA-N 1 2 233.315 1.473 20 0 BDADLO CCCCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047578032 343563282 /nfs/dbraw/zinc/56/32/82/343563282.db2.gz ACMXJAPFQOKNCK-LLVKDONJSA-N 1 2 238.335 1.761 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCCC1 ZINC000047618569 343564100 /nfs/dbraw/zinc/56/41/00/343564100.db2.gz IXWSQEBLKARTNO-SNVBAGLBSA-N 1 2 236.319 1.513 20 0 BDADLO COC(=O)c1occc1C[N@H+](CCO)C1CC1 ZINC000048065393 343570712 /nfs/dbraw/zinc/57/07/12/343570712.db2.gz PVTXYOOLPPWPFB-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)c1occc1C[N@@H+](CCO)C1CC1 ZINC000048065393 343570714 /nfs/dbraw/zinc/57/07/14/343570714.db2.gz PVTXYOOLPPWPFB-UHFFFAOYSA-N 1 2 239.271 1.023 20 0 BDADLO COC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000048583767 343584041 /nfs/dbraw/zinc/58/40/41/343584041.db2.gz FPGQLBPJVHRPTQ-UHFFFAOYSA-N 1 2 241.262 1.309 20 0 BDADLO COC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000048583767 343584042 /nfs/dbraw/zinc/58/40/42/343584042.db2.gz FPGQLBPJVHRPTQ-UHFFFAOYSA-N 1 2 241.262 1.309 20 0 BDADLO C[N@H+](CCO)Cc1nc(-c2ccsc2)no1 ZINC000049634097 343604939 /nfs/dbraw/zinc/60/49/39/343604939.db2.gz TVZMPQCBCRMMPP-UHFFFAOYSA-N 1 2 239.300 1.222 20 0 BDADLO C[N@@H+](CCO)Cc1nc(-c2ccsc2)no1 ZINC000049634097 343604940 /nfs/dbraw/zinc/60/49/40/343604940.db2.gz TVZMPQCBCRMMPP-UHFFFAOYSA-N 1 2 239.300 1.222 20 0 BDADLO C[C@@H]1CCN(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000570226172 323053645 /nfs/dbraw/zinc/05/36/45/323053645.db2.gz IHNHHAMTRRZEAW-SECBINFHSA-N 1 2 222.292 1.303 20 0 BDADLO CCn1cc[nH+]c1CN[C@@H](C)C(F)(F)F ZINC000379968009 365782668 /nfs/dbraw/zinc/78/26/68/365782668.db2.gz ZVAYVRPAODCOIW-ZETCQYMHSA-N 1 2 221.226 1.943 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC(C)(C)C)C(C)(C)C ZINC000119131331 343651347 /nfs/dbraw/zinc/65/13/47/343651347.db2.gz WVJNSZIJLKNBKM-SNVBAGLBSA-N 1 2 245.363 1.979 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nccs1 ZINC000570291503 323055415 /nfs/dbraw/zinc/05/54/15/323055415.db2.gz KXMDDXUDVHGTJH-ZETCQYMHSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nccs1 ZINC000570291503 323055416 /nfs/dbraw/zinc/05/54/16/323055416.db2.gz KXMDDXUDVHGTJH-ZETCQYMHSA-N 1 2 236.300 1.684 20 0 BDADLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccno1 ZINC000602984721 349836888 /nfs/dbraw/zinc/83/68/88/349836888.db2.gz ZEEHVFKXFNORNY-UHFFFAOYSA-N 1 2 236.271 1.345 20 0 BDADLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccno1 ZINC000602984721 349836890 /nfs/dbraw/zinc/83/68/90/349836890.db2.gz ZEEHVFKXFNORNY-UHFFFAOYSA-N 1 2 236.271 1.345 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCN(C)CC(F)F ZINC000624324865 343700588 /nfs/dbraw/zinc/70/05/88/343700588.db2.gz XCLMAVLGODRDDS-MRVPVSSYSA-N 1 2 246.305 1.566 20 0 BDADLO CCCc1noc(C[N@H+](CCOC)C2CC2)n1 ZINC000048023658 343701641 /nfs/dbraw/zinc/70/16/41/343701641.db2.gz WGLQEQFJLLNZDK-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@@H+](CCOC)C2CC2)n1 ZINC000048023658 343701642 /nfs/dbraw/zinc/70/16/42/343701642.db2.gz WGLQEQFJLLNZDK-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@@H](C)O1 ZINC000631301951 343685683 /nfs/dbraw/zinc/68/56/83/343685683.db2.gz XRGSHZVOALGVMK-FOGDFJRCSA-N 1 2 249.314 1.080 20 0 BDADLO CCc1cnc(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000625436084 343733895 /nfs/dbraw/zinc/73/38/95/343733895.db2.gz BDFSZVPVPTTWHD-UHFFFAOYSA-N 1 2 232.287 1.518 20 0 BDADLO CC(C)c1nnc(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000625437615 343739954 /nfs/dbraw/zinc/73/99/54/343739954.db2.gz NSIFYUNQDVEHNY-UHFFFAOYSA-N 1 2 247.302 1.474 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ocnc1C1CC1 ZINC000584199766 343772030 /nfs/dbraw/zinc/77/20/30/343772030.db2.gz XBEARJZHIILTER-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO C/C=C/CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000624389328 343749262 /nfs/dbraw/zinc/74/92/62/343749262.db2.gz XERJUNGQVIHRAT-MOVJSRMASA-N 1 2 222.292 1.356 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1C[C@H](O)C12CCC2 ZINC000624400968 343753963 /nfs/dbraw/zinc/75/39/63/343753963.db2.gz CUFPFFWVECLFNW-QWRGUYRKSA-N 1 2 234.299 1.806 20 0 BDADLO Cc1occc1C[NH2+]Cc1nccn1C ZINC000309077411 349855433 /nfs/dbraw/zinc/85/54/33/349855433.db2.gz MDNAUMVIHINHII-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000625450815 343777685 /nfs/dbraw/zinc/77/76/85/343777685.db2.gz RKBYZOIRBGGALA-SNVBAGLBSA-N 1 2 239.319 1.274 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]2C[C@@H]2C1 ZINC000624407561 343757516 /nfs/dbraw/zinc/75/75/16/343757516.db2.gz IERBXUYDGSKACD-NXEZZACHSA-N 1 2 204.273 1.936 20 0 BDADLO CCc1nc(C[N@H+](C)CCCO)cs1 ZINC000064517708 343758354 /nfs/dbraw/zinc/75/83/54/343758354.db2.gz UKTZQUIIUPCUCA-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO CCc1nc(C[N@@H+](C)CCCO)cs1 ZINC000064517708 343758355 /nfs/dbraw/zinc/75/83/55/343758355.db2.gz UKTZQUIIUPCUCA-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](C)[C@@](C)(CO)C1 ZINC000624410483 343763376 /nfs/dbraw/zinc/76/33/76/343763376.db2.gz VTVDOJOZHUJJCI-GXFFZTMASA-N 1 2 236.315 1.545 20 0 BDADLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccccc2)CCO1 ZINC000030196530 343767262 /nfs/dbraw/zinc/76/72/62/343767262.db2.gz OSUWDAGCQBPMAP-GFCCVEGCSA-N 1 2 248.326 1.324 20 0 BDADLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccccc2)CCO1 ZINC000030196530 343767263 /nfs/dbraw/zinc/76/72/63/343767263.db2.gz OSUWDAGCQBPMAP-GFCCVEGCSA-N 1 2 248.326 1.324 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000625456587 343858902 /nfs/dbraw/zinc/85/89/02/343858902.db2.gz DZOBFPVGTFHTAY-SECBINFHSA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000625456587 343858904 /nfs/dbraw/zinc/85/89/04/343858904.db2.gz DZOBFPVGTFHTAY-SECBINFHSA-N 1 2 216.300 1.193 20 0 BDADLO CCO[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000625512892 343914087 /nfs/dbraw/zinc/91/40/87/343914087.db2.gz HBDMHVOYQDGRBE-GFCCVEGCSA-N 1 2 234.299 1.566 20 0 BDADLO C[C@@H](N[C@@H](C)c1ccon1)c1[nH]cc[nH+]1 ZINC000336745531 537836170 /nfs/dbraw/zinc/83/61/70/537836170.db2.gz BGYKTFXLDXRVQU-JGVFFNPUSA-N 1 2 206.249 1.810 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC000157147192 343928664 /nfs/dbraw/zinc/92/86/64/343928664.db2.gz NWDVJGBERGMNJS-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1 ZINC000157147192 343928668 /nfs/dbraw/zinc/92/86/68/343928668.db2.gz NWDVJGBERGMNJS-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO COCC[N@H+](C)Cc1cn([C@H](C)C(C)C)nn1 ZINC000641188632 362262924 /nfs/dbraw/zinc/26/29/24/362262924.db2.gz VOPOOZGMMINIFT-LLVKDONJSA-N 1 2 240.351 1.573 20 0 BDADLO COCC[N@@H+](C)Cc1cn([C@H](C)C(C)C)nn1 ZINC000641188632 362262926 /nfs/dbraw/zinc/26/29/26/362262926.db2.gz VOPOOZGMMINIFT-LLVKDONJSA-N 1 2 240.351 1.573 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000092851559 178617597 /nfs/dbraw/zinc/61/75/97/178617597.db2.gz XTROPDAJIFQJMG-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO FC(F)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641231938 362287869 /nfs/dbraw/zinc/28/78/69/362287869.db2.gz AHFFKLBPKSQTII-UHFFFAOYSA-N 1 2 248.302 1.092 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCC3)o1 ZINC000035255292 178622099 /nfs/dbraw/zinc/62/20/99/178622099.db2.gz NARZJEWUONTHCV-JTQLQIEISA-N 1 2 246.314 1.977 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2nncn2C)o1 ZINC000037016815 178622223 /nfs/dbraw/zinc/62/22/23/178622223.db2.gz UQZCNFYUFFIFDX-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000641246134 362313749 /nfs/dbraw/zinc/31/37/49/362313749.db2.gz ZUWOPQHSVUMYEA-OPRDCNLKSA-N 1 2 219.288 1.144 20 0 BDADLO C[C@@H](c1cc(F)ccc1F)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625721938 344055977 /nfs/dbraw/zinc/05/59/77/344055977.db2.gz DWOBJLXPDWPBOS-QILRFPOHSA-N 1 2 243.253 1.063 20 0 BDADLO CC[N@@H+](Cc1ccon1)C[C@@H]1CCCO1 ZINC000077316054 344065742 /nfs/dbraw/zinc/06/57/42/344065742.db2.gz BPCSXBVHLFKLKV-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CC[N@H+](Cc1ccon1)C[C@@H]1CCCO1 ZINC000077316054 344065744 /nfs/dbraw/zinc/06/57/44/344065744.db2.gz BPCSXBVHLFKLKV-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CN(Cc1nccn1C)c1cc[nH+]cc1F ZINC000641265496 362338438 /nfs/dbraw/zinc/33/84/38/362338438.db2.gz LYGWGZXTJDSBIV-UHFFFAOYSA-N 1 2 220.251 1.591 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2CCCOC2)c1 ZINC000641305775 362354462 /nfs/dbraw/zinc/35/44/62/362354462.db2.gz SCOOJPWFLHAPAW-NSHDSACASA-N 1 2 222.288 1.412 20 0 BDADLO O=C(NC1CC1)[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641284693 362344626 /nfs/dbraw/zinc/34/46/26/362344626.db2.gz PJKACXWWYHKYDD-GFCCVEGCSA-N 1 2 249.289 1.468 20 0 BDADLO FC(F)[C@@H]1CC[N@H+](Cc2cc[nH]n2)CCO1 ZINC000634734681 344115878 /nfs/dbraw/zinc/11/58/78/344115878.db2.gz MARSXECNZDBQGN-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000634734681 344115880 /nfs/dbraw/zinc/11/58/80/344115880.db2.gz MARSXECNZDBQGN-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO CC(C)(C)n1nnnc1C[NH+](C1CC1)C1CC1 ZINC000625840920 344092821 /nfs/dbraw/zinc/09/28/21/344092821.db2.gz AIIUNORHQDHSMP-UHFFFAOYSA-N 1 2 235.335 1.555 20 0 BDADLO c1cc(C[NH+]2CCN(c3ccccn3)CC2)on1 ZINC000078309117 344095876 /nfs/dbraw/zinc/09/58/76/344095876.db2.gz JPKBUSXADKVIOG-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CCC[C@H](C[NH2+]C(C)(C)C(=O)OC)OC ZINC000395210685 344124830 /nfs/dbraw/zinc/12/48/30/344124830.db2.gz PYHAMBQTHKBNDR-SECBINFHSA-N 1 2 217.309 1.343 20 0 BDADLO Fc1c[nH+]ccc1NC[C@H]1CCCOC1 ZINC000641306259 362355240 /nfs/dbraw/zinc/35/52/40/362355240.db2.gz ZFYIFVDPIRIFBC-SECBINFHSA-N 1 2 210.252 1.481 20 0 BDADLO CN(C[C@H]1CCCO1)c1cc[nH+]cc1F ZINC000641334809 362366566 /nfs/dbraw/zinc/36/65/66/362366566.db2.gz LTHNFKNREMQKIG-SECBINFHSA-N 1 2 210.252 1.836 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000135364983 344237567 /nfs/dbraw/zinc/23/75/67/344237567.db2.gz VSLWWRIUQVFVFZ-WDEREUQCSA-N 1 2 249.310 1.704 20 0 BDADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1O ZINC000131268755 344250197 /nfs/dbraw/zinc/25/01/97/344250197.db2.gz UABAMLPMEQIHDG-UHFFFAOYSA-N 1 2 231.255 1.536 20 0 BDADLO C[C@H](CO)SCc1ccc(N(C)C)[nH+]c1 ZINC000600524413 344256016 /nfs/dbraw/zinc/25/60/16/344256016.db2.gz KUMBLBWVMJALHP-SECBINFHSA-N 1 2 226.345 1.762 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631310672 344270458 /nfs/dbraw/zinc/27/04/58/344270458.db2.gz HYDZINLROCOBSO-WDEREUQCSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H](C3CC3)C2)[nH+]1 ZINC000631310672 344270460 /nfs/dbraw/zinc/27/04/60/344270460.db2.gz HYDZINLROCOBSO-WDEREUQCSA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](CO)C2)c2c([nH+]1)CCCC2 ZINC000631427344 344270582 /nfs/dbraw/zinc/27/05/82/344270582.db2.gz JEGNRHFHPDIVTD-PHIMTYICSA-N 1 2 247.342 1.847 20 0 BDADLO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccn[nH]2)c1 ZINC000081197278 344278167 /nfs/dbraw/zinc/27/81/67/344278167.db2.gz UHIYLEOUNSLBEN-QWHCGFSZSA-N 1 2 245.330 1.880 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000091900050 344286136 /nfs/dbraw/zinc/28/61/36/344286136.db2.gz RSLUDCYYJNZVFX-JQWIXIFHSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000091900050 344286137 /nfs/dbraw/zinc/28/61/37/344286137.db2.gz RSLUDCYYJNZVFX-JQWIXIFHSA-N 1 2 223.320 1.311 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)OC ZINC000622082892 344290193 /nfs/dbraw/zinc/29/01/93/344290193.db2.gz UITFQKHWIHYSJG-RKDXNWHRSA-N 1 2 225.292 1.115 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000625869265 344242546 /nfs/dbraw/zinc/24/25/46/344242546.db2.gz DTHHIYGXGHAPCC-JTQLQIEISA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(Cl)c1 ZINC000625869265 344242547 /nfs/dbraw/zinc/24/25/47/344242547.db2.gz DTHHIYGXGHAPCC-JTQLQIEISA-N 1 2 239.706 1.185 20 0 BDADLO CCOC(=O)CCNc1nc[nH+]c2c1CCCC2 ZINC000094871477 344331389 /nfs/dbraw/zinc/33/13/89/344331389.db2.gz SDSLIGRDUKAMCV-UHFFFAOYSA-N 1 2 249.314 1.721 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000600613885 344336874 /nfs/dbraw/zinc/33/68/74/344336874.db2.gz KHBAQDHMWIXYJN-GRYCIOLGSA-N 1 2 239.315 1.095 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C(=O)OC ZINC000600616013 344337049 /nfs/dbraw/zinc/33/70/49/344337049.db2.gz XPIWIKMNLRQUIS-DCAQKATOSA-N 1 2 227.304 1.095 20 0 BDADLO CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C(=O)OC ZINC000600616016 344337356 /nfs/dbraw/zinc/33/73/56/344337356.db2.gz XPIWIKMNLRQUIS-VWYCJHECSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@@](O)(CNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641370284 362379677 /nfs/dbraw/zinc/37/96/77/362379677.db2.gz DWWFPRFYAMVAQF-GFCCVEGCSA-N 1 2 222.288 1.147 20 0 BDADLO Fc1c[nH+]ccc1NCCOC[C@H]1CCOC1 ZINC000641369999 362380139 /nfs/dbraw/zinc/38/01/39/362380139.db2.gz TVCXCCRDJTXJPV-JTQLQIEISA-N 1 2 240.278 1.108 20 0 BDADLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC ZINC000132396089 344299681 /nfs/dbraw/zinc/29/96/81/344299681.db2.gz KMOMGPCOWFAFAA-UHFFFAOYSA-N 1 2 214.290 1.258 20 0 BDADLO CC1(C)[C@H](Nc2cc[nH+]cc2F)[C@@H]2CCO[C@H]21 ZINC000641393430 362390952 /nfs/dbraw/zinc/39/09/52/362390952.db2.gz VBJIYQHASHURDE-XXILOJSOSA-N 1 2 236.290 1.868 20 0 BDADLO CCOC(=O)c1cc(-c2ccc(NC)[nH+]c2)[nH]n1 ZINC000600791670 344373484 /nfs/dbraw/zinc/37/34/84/344373484.db2.gz ICWHUPOQVSFCQA-UHFFFAOYSA-N 1 2 246.270 1.112 20 0 BDADLO CC1(C)[C@H](Nc2cc(CO)cc[nH+]2)[C@@H]2CCO[C@@H]21 ZINC000641390850 362389694 /nfs/dbraw/zinc/38/96/94/362389694.db2.gz IWGKGFXDZJNBBP-UHTWSYAYSA-N 1 2 248.326 1.799 20 0 BDADLO Cc1csc(CC[NH2+]Cc2ccn[nH]2)n1 ZINC000062103617 344409058 /nfs/dbraw/zinc/40/90/58/344409058.db2.gz QSUZMHHCROHHCB-UHFFFAOYSA-N 1 2 222.317 1.507 20 0 BDADLO C[C@@H](CCO)SCCn1cc[nH+]c1 ZINC000085145304 344503933 /nfs/dbraw/zinc/50/39/33/344503933.db2.gz OGDADAZXHZNWMU-VIFPVBQESA-N 1 2 200.307 1.387 20 0 BDADLO C[C@@H](CCO)SCCCn1cc[nH+]c1 ZINC000085146820 344504790 /nfs/dbraw/zinc/50/47/90/344504790.db2.gz SSAUAPDYTWJSIW-JTQLQIEISA-N 1 2 214.334 1.777 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncccn1 ZINC000042250150 344447756 /nfs/dbraw/zinc/44/77/56/344447756.db2.gz UPSIEGOMEYEVDX-VIFPVBQESA-N 1 2 203.249 1.174 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCCCO1 ZINC000042815540 344468297 /nfs/dbraw/zinc/46/82/97/344468297.db2.gz HHNLJLPAKDEGKO-LLVKDONJSA-N 1 2 209.293 1.377 20 0 BDADLO CSC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000590379139 347052394 /nfs/dbraw/zinc/05/23/94/347052394.db2.gz LNAWVLNXQSZJQZ-UHFFFAOYSA-N 1 2 237.328 1.190 20 0 BDADLO CSC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000590379139 347052398 /nfs/dbraw/zinc/05/23/98/347052398.db2.gz LNAWVLNXQSZJQZ-UHFFFAOYSA-N 1 2 237.328 1.190 20 0 BDADLO CSCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378601 347052540 /nfs/dbraw/zinc/05/25/40/347052540.db2.gz KFDARTGPKUPMEP-UHFFFAOYSA-N 1 2 225.317 1.048 20 0 BDADLO CSCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378601 347052543 /nfs/dbraw/zinc/05/25/43/347052543.db2.gz KFDARTGPKUPMEP-UHFFFAOYSA-N 1 2 225.317 1.048 20 0 BDADLO Fc1c[nH+]ccc1NCCOC[C@@H]1CCCO1 ZINC000641399363 362393765 /nfs/dbraw/zinc/39/37/65/362393765.db2.gz RLDAWGBMUAZQJJ-JTQLQIEISA-N 1 2 240.278 1.250 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCSC2)c1 ZINC000641402427 362396763 /nfs/dbraw/zinc/39/67/63/362396763.db2.gz HWYZZIIHZJOKBB-SECBINFHSA-N 1 2 210.302 1.491 20 0 BDADLO CO[C@@H](CNc1cc[nH+]cc1F)C(C)C ZINC000641409064 362400953 /nfs/dbraw/zinc/40/09/53/362400953.db2.gz JOTADYKSFYHOCV-NSHDSACASA-N 1 2 212.268 1.726 20 0 BDADLO CCOC(=O)C[C@@H](C)Nc1cc(CC)[nH+]cn1 ZINC000259285189 344572735 /nfs/dbraw/zinc/57/27/35/344572735.db2.gz COTXBCDHZCDXAH-SECBINFHSA-N 1 2 237.303 1.793 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)c1cccnc1 ZINC000622368431 344534861 /nfs/dbraw/zinc/53/48/61/344534861.db2.gz WYKRMDPFXHYUNA-UHFFFAOYSA-N 1 2 230.271 1.021 20 0 BDADLO CCc1cc(NC[C@@](C)(O)C2CC2)nc[nH+]1 ZINC000381687151 344535121 /nfs/dbraw/zinc/53/51/21/344535121.db2.gz YVHQEFTVXDCHHB-GFCCVEGCSA-N 1 2 221.304 1.034 20 0 BDADLO Cc1cncnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000641422194 362406616 /nfs/dbraw/zinc/40/66/16/362406616.db2.gz NSJVNNVSDVGJGC-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1cncnc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000641422194 362406622 /nfs/dbraw/zinc/40/66/22/362406622.db2.gz NSJVNNVSDVGJGC-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO C[C@H](CCO)CNc1cc(CO)cc[nH+]1 ZINC000641405892 362397456 /nfs/dbraw/zinc/39/74/56/362397456.db2.gz KDMBRCKQKTZJTR-SECBINFHSA-N 1 2 210.277 1.004 20 0 BDADLO OCCC1(CNc2cc(CO)cc[nH+]2)CCC1 ZINC000641447585 362425062 /nfs/dbraw/zinc/42/50/62/362425062.db2.gz XILASXWANPTTPE-UHFFFAOYSA-N 1 2 236.315 1.539 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641452991 362428321 /nfs/dbraw/zinc/42/83/21/362428321.db2.gz NUEHYDYAWQKHCQ-CMPLNLGQSA-N 1 2 236.315 1.171 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000641455832 362429660 /nfs/dbraw/zinc/42/96/60/362429660.db2.gz PZVFAYGDEJVGOC-QWHCGFSZSA-N 1 2 248.326 1.437 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)c1cc[nH+]cc1F ZINC000641460800 362433658 /nfs/dbraw/zinc/43/36/58/362433658.db2.gz CSCGROFWSKHROT-CABZTGNLSA-N 1 2 224.279 1.818 20 0 BDADLO OCc1cc[nH+]c(N[C@@H](CO)CC2CC2)c1 ZINC000641460764 362433738 /nfs/dbraw/zinc/43/37/38/362433738.db2.gz ARRSOYDKYCAENS-LLVKDONJSA-N 1 2 222.288 1.147 20 0 BDADLO CCC[C@H]1CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000641464199 362434078 /nfs/dbraw/zinc/43/40/78/362434078.db2.gz NACKCUOOGUKTGH-LBPRGKRZSA-N 1 2 236.315 1.579 20 0 BDADLO OCCOC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641463067 362434339 /nfs/dbraw/zinc/43/43/39/362434339.db2.gz NGBDZPYQVUOUCA-UHFFFAOYSA-N 1 2 240.278 1.198 20 0 BDADLO OC[C@@H](CC1CC1)Nc1cc[nH+]cc1F ZINC000641461735 362435677 /nfs/dbraw/zinc/43/56/77/362435677.db2.gz MIVRDPQSTHNDNZ-SECBINFHSA-N 1 2 210.252 1.216 20 0 BDADLO CO[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C1(C)C ZINC000641426490 362411082 /nfs/dbraw/zinc/41/10/82/362411082.db2.gz QXMPHGVMMYHLJS-MNOVXSKESA-N 1 2 236.315 1.799 20 0 BDADLO Cn1c[nH+]c(CSc2nnnn2C2CC2)c1 ZINC000641434288 362415311 /nfs/dbraw/zinc/41/53/11/362415311.db2.gz KHRQTEUQHZUIBJ-UHFFFAOYSA-N 1 2 236.304 1.034 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ccccn1 ZINC000570890169 323073493 /nfs/dbraw/zinc/07/34/93/323073493.db2.gz JYCLDLXDTWKFRC-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CN(CCCCCO)c1cc[nH+]cc1F ZINC000641544223 362491305 /nfs/dbraw/zinc/49/13/05/362491305.db2.gz RRHYDAPBOGGYKC-UHFFFAOYSA-N 1 2 212.268 1.820 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncncc1C)CC2 ZINC000641485392 362454133 /nfs/dbraw/zinc/45/41/33/362454133.db2.gz GMRYDIOLYMZOIF-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO CCC[C@H](OCC)C(=O)NCc1[nH]c[nH+]c1C ZINC000625966513 344614565 /nfs/dbraw/zinc/61/45/65/344614565.db2.gz HPWRXODDFIFQEX-NSHDSACASA-N 1 2 239.319 1.540 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)C(F)(F)F ZINC000625966459 344614778 /nfs/dbraw/zinc/61/47/78/344614778.db2.gz CHJOVIPPDYYXKI-LURJTMIESA-N 1 2 249.236 1.923 20 0 BDADLO OCCC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000641506034 362464652 /nfs/dbraw/zinc/46/46/52/362464652.db2.gz XQGSLENHHLQPFW-UHFFFAOYSA-N 1 2 222.288 1.148 20 0 BDADLO OCC[C@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641503838 362466360 /nfs/dbraw/zinc/46/63/60/362466360.db2.gz IAFGADYVMHVHCY-VXGBXAGGSA-N 1 2 236.315 1.537 20 0 BDADLO OC1(C(F)F)CCN(c2cc[nH+]cc2F)CC1 ZINC000641505212 362468402 /nfs/dbraw/zinc/46/84/02/362468402.db2.gz WVFUQGILEKGNHC-UHFFFAOYSA-N 1 2 246.232 1.817 20 0 BDADLO CN(Cc1ccccn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862381 530004567 /nfs/dbraw/zinc/00/45/67/530004567.db2.gz KQUYFBQECFRFOC-AATRIKPKSA-N 1 2 242.282 1.477 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@]1(C)CCCO1 ZINC000094804765 537851036 /nfs/dbraw/zinc/85/10/36/537851036.db2.gz IUIASSIHIGMIKR-GFCCVEGCSA-N 1 2 247.302 1.344 20 0 BDADLO Cc1c(CN(C)c2cc(CO)cc[nH+]2)cnn1C ZINC000641546556 362494301 /nfs/dbraw/zinc/49/43/01/362494301.db2.gz XIEUULXEYXGCLT-UHFFFAOYSA-N 1 2 246.314 1.252 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000620736211 344680675 /nfs/dbraw/zinc/68/06/75/344680675.db2.gz QHBASMWASQRNPN-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2cccnc2)CCO1 ZINC000626002571 344663243 /nfs/dbraw/zinc/66/32/43/344663243.db2.gz QDBXDCHWMAUNJE-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 ZINC000626002571 344663246 /nfs/dbraw/zinc/66/32/46/344663246.db2.gz QDBXDCHWMAUNJE-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO Cc1c(C[N@@H+]2CCO[C@@H](CCF)C2)cnn1C ZINC000626003666 344664009 /nfs/dbraw/zinc/66/40/09/344664009.db2.gz NWKSPSGZUKTSBG-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1c(C[N@H+]2CCO[C@@H](CCF)C2)cnn1C ZINC000626003666 344664012 /nfs/dbraw/zinc/66/40/12/344664012.db2.gz NWKSPSGZUKTSBG-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC(C)(C)O)C(C)(C)C ZINC000381742771 344667116 /nfs/dbraw/zinc/66/71/16/344667116.db2.gz PGMCCUFHEJLDOR-VIFPVBQESA-N 1 2 231.336 1.325 20 0 BDADLO O=C(C[N@H+]1CCc2c(O)cccc2C1)NC1CC1 ZINC000626025088 344676357 /nfs/dbraw/zinc/67/63/57/344676357.db2.gz HWQBABKYSKUCBL-UHFFFAOYSA-N 1 2 246.310 1.029 20 0 BDADLO O=C(C[N@@H+]1CCc2c(O)cccc2C1)NC1CC1 ZINC000626025088 344676360 /nfs/dbraw/zinc/67/63/60/344676360.db2.gz HWQBABKYSKUCBL-UHFFFAOYSA-N 1 2 246.310 1.029 20 0 BDADLO COc1cccc2c1C[N@H+](Cc1cn[nH]c1)C2 ZINC000626023159 344678590 /nfs/dbraw/zinc/67/85/90/344678590.db2.gz YYJRIQKKVDXUEL-UHFFFAOYSA-N 1 2 229.283 1.934 20 0 BDADLO COc1cccc2c1C[N@@H+](Cc1cn[nH]c1)C2 ZINC000626023159 344678591 /nfs/dbraw/zinc/67/85/91/344678591.db2.gz YYJRIQKKVDXUEL-UHFFFAOYSA-N 1 2 229.283 1.934 20 0 BDADLO CN(Cc1ccon1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866583 530013434 /nfs/dbraw/zinc/01/34/34/530013434.db2.gz QLIIAJDWZWXXSA-IHWYPQMZSA-N 1 2 232.243 1.070 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(C)(C)O)C(C)(C)C ZINC000309465818 347069127 /nfs/dbraw/zinc/06/91/27/347069127.db2.gz PGMCCUFHEJLDOR-SECBINFHSA-N 1 2 231.336 1.325 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082277649 344712456 /nfs/dbraw/zinc/71/24/56/344712456.db2.gz NHRKWIOAXVRJQF-LLVKDONJSA-N 1 2 244.298 1.689 20 0 BDADLO CCc1cnc(C[NH2+]CC(=O)NC2CC2)s1 ZINC000309481570 347073624 /nfs/dbraw/zinc/07/36/24/347073624.db2.gz TZMQKGCMSUBHOG-UHFFFAOYSA-N 1 2 239.344 1.074 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000075716028 344777298 /nfs/dbraw/zinc/77/72/98/344777298.db2.gz ULTHVFAMGVRLGW-JTQLQIEISA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@H]2CO)cs1 ZINC000075716028 344777299 /nfs/dbraw/zinc/77/72/99/344777299.db2.gz ULTHVFAMGVRLGW-JTQLQIEISA-N 1 2 242.344 1.246 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557194 344779171 /nfs/dbraw/zinc/77/91/71/344779171.db2.gz OKHPPVQPWPDUSL-MNOVXSKESA-N 1 2 249.314 1.295 20 0 BDADLO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000075665232 344783361 /nfs/dbraw/zinc/78/33/61/344783361.db2.gz AHJXNKVIJDDGCF-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000075665232 344783362 /nfs/dbraw/zinc/78/33/62/344783362.db2.gz AHJXNKVIJDDGCF-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO CCc1cnc(C[N@@H+]2CCC[C@@H](OC)C2)o1 ZINC000075712923 344785126 /nfs/dbraw/zinc/78/51/26/344785126.db2.gz JOZBTMQQMHOSAO-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCC[C@@H](OC)C2)o1 ZINC000075712923 344785127 /nfs/dbraw/zinc/78/51/27/344785127.db2.gz JOZBTMQQMHOSAO-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO C[C@]1(C(=O)NCCNc2cccc[nH+]2)C[C@@H]1F ZINC000425149409 192077281 /nfs/dbraw/zinc/07/72/81/192077281.db2.gz WKMZZGSGDBEZON-CABZTGNLSA-N 1 2 237.278 1.358 20 0 BDADLO CCOc1nnc(C[N@H+](C)C2CCC2)s1 ZINC000075842519 344793467 /nfs/dbraw/zinc/79/34/67/344793467.db2.gz UXKCGDVQKBJTRM-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO CCOc1nnc(C[N@@H+](C)C2CCC2)s1 ZINC000075842519 344793469 /nfs/dbraw/zinc/79/34/69/344793469.db2.gz UXKCGDVQKBJTRM-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO COC(C)(C)C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000076204769 344802642 /nfs/dbraw/zinc/80/26/42/344802642.db2.gz LIIBNSNFDFGPQE-QMMMGPOBSA-N 1 2 239.319 1.652 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000425152027 192077624 /nfs/dbraw/zinc/07/76/24/192077624.db2.gz HHTZAJWBMBIXEN-WISYIIOYSA-N 1 2 245.326 1.360 20 0 BDADLO COC1CC(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000628149234 344836171 /nfs/dbraw/zinc/83/61/71/344836171.db2.gz QSHBCDDRPHOGAK-XNWIYYODSA-N 1 2 237.303 1.022 20 0 BDADLO COCCC[N@H+](CCOC)Cc1nc(C)c[nH]1 ZINC000628150309 344838299 /nfs/dbraw/zinc/83/82/99/344838299.db2.gz NEGCWLDDHKLBAF-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO COCCC[N@@H+](CCOC)Cc1nc(C)c[nH]1 ZINC000628150309 344838302 /nfs/dbraw/zinc/83/83/02/344838302.db2.gz NEGCWLDDHKLBAF-UHFFFAOYSA-N 1 2 241.335 1.203 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnc(C)o1 ZINC000628146009 344824713 /nfs/dbraw/zinc/82/47/13/344824713.db2.gz BPNKRQNJYJBPLQ-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnc(C)o1 ZINC000628146009 344824714 /nfs/dbraw/zinc/82/47/14/344824714.db2.gz BPNKRQNJYJBPLQ-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO COC(=O)C1(CNc2cc(C3CC3)[nH+]cn2)CC1 ZINC000603343648 349919974 /nfs/dbraw/zinc/91/99/74/349919974.db2.gz JBDOPWZEYXDMDE-UHFFFAOYSA-N 1 2 247.298 1.141 20 0 BDADLO CCc1cc(NC[C@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000234167379 537864392 /nfs/dbraw/zinc/86/43/92/537864392.db2.gz BSMCQIOKZCWRMW-ONGXEEELSA-N 1 2 221.304 1.612 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)c(C)c[nH+]1 ZINC000408474329 344834185 /nfs/dbraw/zinc/83/41/85/344834185.db2.gz QBUYMCICUGNSMN-VXGBXAGGSA-N 1 2 248.326 1.874 20 0 BDADLO CCCCN(CC)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000078344762 344849989 /nfs/dbraw/zinc/84/99/89/344849989.db2.gz ACZHHKOFNMBIJR-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000078344762 344849992 /nfs/dbraw/zinc/84/99/92/344849992.db2.gz ACZHHKOFNMBIJR-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CN(Cc1cccs1)C(=O)CCn1cc[nH+]c1 ZINC000078345995 344850342 /nfs/dbraw/zinc/85/03/42/344850342.db2.gz NKFQSFFWJHUXHU-UHFFFAOYSA-N 1 2 249.339 1.993 20 0 BDADLO COCC1([N@H+](C)Cc2nnc(C)s2)CC1 ZINC000678629086 488274413 /nfs/dbraw/zinc/27/44/13/488274413.db2.gz DWBSSFSXYLIOQB-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COCC1([N@@H+](C)Cc2nnc(C)s2)CC1 ZINC000678629086 488274415 /nfs/dbraw/zinc/27/44/15/488274415.db2.gz DWBSSFSXYLIOQB-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO CCCN1CC(=O)N[C@@H]1c1c[nH+]cn1C(C)C ZINC000563000754 323079160 /nfs/dbraw/zinc/07/91/60/323079160.db2.gz YFOLHIKAEYVHDX-LBPRGKRZSA-N 1 2 236.319 1.304 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C)[C@H]2C)[nH+]c1C ZINC000628175946 344899698 /nfs/dbraw/zinc/89/96/98/344899698.db2.gz PAONJDNAJVDBSZ-GHMZBOCLSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1c[nH]c(CN2CCOC[C@@H]2C2CC2)[nH+]1 ZINC000628183473 344931870 /nfs/dbraw/zinc/93/18/70/344931870.db2.gz CJNGNSVPIIDNOY-LLVKDONJSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]c(CN(C)CCOCC2CC2)[nH+]c1C ZINC000628187102 344936786 /nfs/dbraw/zinc/93/67/86/344936786.db2.gz FELDJMIMGMHVKA-UHFFFAOYSA-N 1 2 237.347 1.885 20 0 BDADLO Cc1nc(C[N@H+](C)CCOCC2CC2)[nH]c1C ZINC000628187102 344936789 /nfs/dbraw/zinc/93/67/89/344936789.db2.gz FELDJMIMGMHVKA-UHFFFAOYSA-N 1 2 237.347 1.885 20 0 BDADLO Cc1nc(C[N@@H+](C)CCOCC2CC2)[nH]c1C ZINC000628187102 344936791 /nfs/dbraw/zinc/93/67/91/344936791.db2.gz FELDJMIMGMHVKA-UHFFFAOYSA-N 1 2 237.347 1.885 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000578765880 344914961 /nfs/dbraw/zinc/91/49/61/344914961.db2.gz QXSRRRGCTJIVMX-XQQFMLRXSA-N 1 2 247.342 1.691 20 0 BDADLO Cc1nc(C[N@H+]2CCCOC[C@H]2C)[nH]c1C ZINC000628180381 344918255 /nfs/dbraw/zinc/91/82/55/344918255.db2.gz NBXCKXRZMRJMHA-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOC[C@H]2C)[nH]c1C ZINC000628180381 344918256 /nfs/dbraw/zinc/91/82/56/344918256.db2.gz NBXCKXRZMRJMHA-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN2CCCOC[C@H]2C)[nH+]c1C ZINC000628180381 344918258 /nfs/dbraw/zinc/91/82/58/344918258.db2.gz NBXCKXRZMRJMHA-SECBINFHSA-N 1 2 223.320 1.637 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153716032 344958547 /nfs/dbraw/zinc/95/85/47/344958547.db2.gz URUMCSNIXRJFLK-CYBMUJFWSA-N 1 2 249.314 1.559 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153716032 344958550 /nfs/dbraw/zinc/95/85/50/344958550.db2.gz URUMCSNIXRJFLK-CYBMUJFWSA-N 1 2 249.314 1.559 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(C)nc1 ZINC000153706405 344959062 /nfs/dbraw/zinc/95/90/62/344959062.db2.gz WVORAVJKOCROGY-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(C)nc1 ZINC000153706405 344959064 /nfs/dbraw/zinc/95/90/64/344959064.db2.gz WVORAVJKOCROGY-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2ccc[nH]2)[nH+]1 ZINC000628187929 344940587 /nfs/dbraw/zinc/94/05/87/344940587.db2.gz GVVSXPGLKCPQEU-UHFFFAOYSA-N 1 2 204.277 1.678 20 0 BDADLO C[C@@H](O)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579250374 344948425 /nfs/dbraw/zinc/94/84/25/344948425.db2.gz UTHKRAZGJWXMRW-WDEREUQCSA-N 1 2 239.319 1.064 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000079543269 344987186 /nfs/dbraw/zinc/98/71/86/344987186.db2.gz VAMIYSDDOQSNDH-WDEREUQCSA-N 1 2 221.304 1.436 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000079543267 344987200 /nfs/dbraw/zinc/98/72/00/344987200.db2.gz VAMIYSDDOQSNDH-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/C1CC1 ZINC000079577201 344992126 /nfs/dbraw/zinc/99/21/26/344992126.db2.gz QHFUIGFNOUKGKU-ORAHPGNNSA-N 1 2 219.288 1.354 20 0 BDADLO Fc1c[nH+]ccc1N1CCC2(CCO2)CC1 ZINC000641553552 362497482 /nfs/dbraw/zinc/49/74/82/362497482.db2.gz CNRWJUFBBPCKGX-UHFFFAOYSA-N 1 2 222.263 1.980 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H](OC(F)F)C2)c1 ZINC000641557075 362499042 /nfs/dbraw/zinc/49/90/42/362499042.db2.gz AZAVLOCGEQCNHV-VIFPVBQESA-N 1 2 244.241 1.392 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154063102 345010026 /nfs/dbraw/zinc/01/00/26/345010026.db2.gz YVDKBXBTPXZKGU-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154063102 345010029 /nfs/dbraw/zinc/01/00/29/345010029.db2.gz YVDKBXBTPXZKGU-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154198421 345017643 /nfs/dbraw/zinc/01/76/43/345017643.db2.gz FFRUVPXKCBNUFR-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154198421 345017645 /nfs/dbraw/zinc/01/76/45/345017645.db2.gz FFRUVPXKCBNUFR-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC(=O)[C@@H](C)SCc1ccc[nH+]c1N ZINC000603323408 349922278 /nfs/dbraw/zinc/92/22/78/349922278.db2.gz YGMJRRSUGSQPHW-MRVPVSSYSA-N 1 2 210.302 1.875 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccn1 ZINC000154260104 345022694 /nfs/dbraw/zinc/02/26/94/345022694.db2.gz KSKZZNDRLSANFV-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccn1 ZINC000154260104 345022696 /nfs/dbraw/zinc/02/26/96/345022696.db2.gz KSKZZNDRLSANFV-UONOGXRCSA-N 1 2 248.326 1.461 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)cc[nH+]1 ZINC000154484742 345038101 /nfs/dbraw/zinc/03/81/01/345038101.db2.gz YCRUSKTZVVYMEX-MWLCHTKSSA-N 1 2 220.272 1.896 20 0 BDADLO CN(c1cc[nH+]cc1F)[C@@H]1CCCOC1 ZINC000641591698 362533465 /nfs/dbraw/zinc/53/34/65/362533465.db2.gz CTVICBHFPHQUOR-SECBINFHSA-N 1 2 210.252 1.836 20 0 BDADLO C[C@H]1CSC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641592030 362534579 /nfs/dbraw/zinc/53/45/79/362534579.db2.gz IFENBTSATZPZIH-WCBMZHEXSA-N 1 2 224.329 1.737 20 0 BDADLO C[C@@H]1COCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000641594886 362535453 /nfs/dbraw/zinc/53/54/53/362535453.db2.gz SZZVTVBDRPJWHB-ZYHUDNBSSA-N 1 2 236.315 1.658 20 0 BDADLO Cc1cncnc1N1CCc2[nH+]c[nH]c2C1 ZINC000641601896 362540487 /nfs/dbraw/zinc/54/04/87/362540487.db2.gz KDBLBVOHZVKPCS-UHFFFAOYSA-N 1 2 215.260 1.071 20 0 BDADLO CC[C@@](C)(CNc1cc[nH+]cc1F)OC ZINC000641637145 362568912 /nfs/dbraw/zinc/56/89/12/362568912.db2.gz WPWRNZNJULUJED-NSHDSACASA-N 1 2 212.268 1.870 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000641643122 362570224 /nfs/dbraw/zinc/57/02/24/362570224.db2.gz LFDIEMDJAUKOID-JGPRNRPPSA-N 1 2 204.273 1.784 20 0 BDADLO CCC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000080091555 345097418 /nfs/dbraw/zinc/09/74/18/345097418.db2.gz BQJODHHNHDLAOE-SSDOTTSWSA-N 1 2 225.317 1.827 20 0 BDADLO CC1(C)C[C@H](Nc2cc[nH+]cc2F)CO1 ZINC000641657180 362581006 /nfs/dbraw/zinc/58/10/06/362581006.db2.gz PIEYQNDMEDECME-QMMMGPOBSA-N 1 2 210.252 1.622 20 0 BDADLO O=C1[C@@H](Nc2cc[nH+]cc2F)C[C@@H]2CCCCN12 ZINC000641627374 362557746 /nfs/dbraw/zinc/55/77/46/362557746.db2.gz VMJVZXQVYWFZQW-CABZTGNLSA-N 1 2 249.289 1.208 20 0 BDADLO CO[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C12CCC2 ZINC000641629249 362558842 /nfs/dbraw/zinc/55/88/42/362558842.db2.gz FIRCSUMBSURXPJ-VXGBXAGGSA-N 1 2 248.326 1.943 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@@H]2CC[C@@H](C)O2)no1 ZINC000408310054 345110854 /nfs/dbraw/zinc/11/08/54/345110854.db2.gz POSCJSVDDXRLIS-SCZZXKLOSA-N 1 2 239.319 1.770 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC1(F)F ZINC000673381547 488283473 /nfs/dbraw/zinc/28/34/73/488283473.db2.gz KLBJPUOYPABQEL-VIFPVBQESA-N 1 2 243.257 1.646 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC1(F)F ZINC000673381547 488283476 /nfs/dbraw/zinc/28/34/76/488283476.db2.gz KLBJPUOYPABQEL-VIFPVBQESA-N 1 2 243.257 1.646 20 0 BDADLO CN(C)C(=O)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641633899 362563809 /nfs/dbraw/zinc/56/38/09/362563809.db2.gz ZMRRHPBHPLJABG-VIFPVBQESA-N 1 2 237.278 1.135 20 0 BDADLO COC[C@@H](CCNc1cc[nH+]cc1F)OC ZINC000641657831 362581984 /nfs/dbraw/zinc/58/19/84/362581984.db2.gz XPKXLDOONDPXSU-SECBINFHSA-N 1 2 228.267 1.106 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)[C@H](O)C(F)(F)F ZINC000634988023 345170236 /nfs/dbraw/zinc/17/02/36/345170236.db2.gz KOYZZFOKXAKSGU-FSPLSTOPSA-N 1 2 224.182 1.076 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000080435496 345174580 /nfs/dbraw/zinc/17/45/80/345174580.db2.gz FRLDDPCYGRXVAG-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000080435496 345174581 /nfs/dbraw/zinc/17/45/81/345174581.db2.gz FRLDDPCYGRXVAG-TUAOUCFPSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000156151294 345132964 /nfs/dbraw/zinc/13/29/64/345132964.db2.gz UJRZADVLLXKOIF-SECBINFHSA-N 1 2 245.286 1.116 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201536 323085252 /nfs/dbraw/zinc/08/52/52/323085252.db2.gz CAAHFZJMCGEXOY-LLVKDONJSA-N 1 2 220.272 1.392 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201536 323085253 /nfs/dbraw/zinc/08/52/53/323085253.db2.gz CAAHFZJMCGEXOY-LLVKDONJSA-N 1 2 220.272 1.392 20 0 BDADLO CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635076147 345240896 /nfs/dbraw/zinc/24/08/96/345240896.db2.gz JTCQKPRQIIBSKQ-LLVKDONJSA-N 1 2 223.320 1.997 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2cccs2)[nH+]1 ZINC000635099818 345246836 /nfs/dbraw/zinc/24/68/36/345246836.db2.gz OABBEUCSXGPZQR-UHFFFAOYSA-N 1 2 249.339 1.893 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000635016325 345221066 /nfs/dbraw/zinc/22/10/66/345221066.db2.gz LXOFRMPHXJBERI-WDEREUQCSA-N 1 2 249.314 1.452 20 0 BDADLO O=C([O-])[C@@H](C1CC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000635016325 345221070 /nfs/dbraw/zinc/22/10/70/345221070.db2.gz LXOFRMPHXJBERI-WDEREUQCSA-N 1 2 249.314 1.452 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@H]3C[C@@H](O)C3)cc2[nH+]1 ZINC000635165831 345262601 /nfs/dbraw/zinc/26/26/01/345262601.db2.gz VWXUQXGIOVGVBT-WAAGHKOSSA-N 1 2 245.282 1.581 20 0 BDADLO CCc1cc(N[C@@H](C)CC[S@@](C)=O)nc[nH+]1 ZINC000130269875 345271652 /nfs/dbraw/zinc/27/16/52/345271652.db2.gz XDBALVYBZBDYFT-FVMDXXJSSA-N 1 2 241.360 1.608 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635247231 345283425 /nfs/dbraw/zinc/28/34/25/345283425.db2.gz NBVPFEKTLQPCFQ-NXEZZACHSA-N 1 2 221.304 1.628 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635247231 345283426 /nfs/dbraw/zinc/28/34/26/345283426.db2.gz NBVPFEKTLQPCFQ-NXEZZACHSA-N 1 2 221.304 1.628 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)C2CC2)[nH+]1 ZINC000635264142 345289721 /nfs/dbraw/zinc/28/97/21/345289721.db2.gz ZBKSPSNWKWTXPV-UHFFFAOYSA-N 1 2 207.277 1.135 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H](C)C2CC2)[nH+]1 ZINC000635421546 345361392 /nfs/dbraw/zinc/36/13/92/345361392.db2.gz NLTDCOMHLMVVJE-SECBINFHSA-N 1 2 235.331 1.677 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)[C@@H](C)CC)[nH+]1 ZINC000635462499 345383008 /nfs/dbraw/zinc/38/30/08/345383008.db2.gz SEDTXPMEEGYLFV-VIFPVBQESA-N 1 2 223.320 1.772 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCSCC2)[nH+]1 ZINC000080772856 345450515 /nfs/dbraw/zinc/45/05/15/345450515.db2.gz IJUCACZXOOQTPP-UHFFFAOYSA-N 1 2 234.328 1.820 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CCC=CCC1 ZINC000635495120 345398176 /nfs/dbraw/zinc/39/81/76/345398176.db2.gz IYOIWVCMFUIJIL-UHFFFAOYSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081797743 345492705 /nfs/dbraw/zinc/49/27/05/345492705.db2.gz SIYGGSVEOFDHHH-NWDGAFQWSA-N 1 2 237.347 1.928 20 0 BDADLO OCc1cc[nH+]c(NCCO[C@H]2CC2(F)F)c1 ZINC000641659466 362584501 /nfs/dbraw/zinc/58/45/01/362584501.db2.gz OJEPQJUZLIEGRD-VIFPVBQESA-N 1 2 244.241 1.410 20 0 BDADLO Cc1nnc(CN(C)c2cc[nH+]cc2F)o1 ZINC000641659330 362584559 /nfs/dbraw/zinc/58/45/59/362584559.db2.gz PTDBALASAIJRHR-UHFFFAOYSA-N 1 2 222.223 1.549 20 0 BDADLO O=C(CC1CC1)NCCCn1cc[nH+]c1 ZINC000082268432 345499216 /nfs/dbraw/zinc/49/92/16/345499216.db2.gz JJSAKIDVXOFGGX-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO Cc1nc(N2CC([C@@H](C)O)C2)c2c([nH+]1)CCCC2 ZINC000641659972 362585449 /nfs/dbraw/zinc/58/54/49/362585449.db2.gz YDAZDBXCYICUJM-SECBINFHSA-N 1 2 247.342 1.481 20 0 BDADLO CN(CC1=CCCOC1)c1cc(CO)cc[nH+]1 ZINC000641659890 362585528 /nfs/dbraw/zinc/58/55/28/362585528.db2.gz UCHWZGFNVQCANG-UHFFFAOYSA-N 1 2 234.299 1.357 20 0 BDADLO CC(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000082275813 345500349 /nfs/dbraw/zinc/50/03/49/345500349.db2.gz CLBWQZLOFJJAOQ-JTQLQIEISA-N 1 2 221.304 1.643 20 0 BDADLO Fc1c[nH+]ccc1NCC[C@H]1CCCOC1 ZINC000641675775 362596365 /nfs/dbraw/zinc/59/63/65/362596365.db2.gz DCNUHTUHUJAGIA-SNVBAGLBSA-N 1 2 224.279 1.871 20 0 BDADLO Cc1ccc(NC(C)(C)c2[nH]cc[nH+]2)nn1 ZINC000641665312 362590373 /nfs/dbraw/zinc/59/03/73/362590373.db2.gz ROLVSUWRYBYYHT-UHFFFAOYSA-N 1 2 217.276 1.277 20 0 BDADLO Cc1nc(N2CCC(c3nnc[nH]3)CC2)cc[nH+]1 ZINC000081036810 345458669 /nfs/dbraw/zinc/45/86/69/345458669.db2.gz KBPVWALJNVSMTD-UHFFFAOYSA-N 1 2 244.302 1.287 20 0 BDADLO CC(C)=C(C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000635545727 345576921 /nfs/dbraw/zinc/57/69/21/345576921.db2.gz LCOIZBNQKOHLAM-UHFFFAOYSA-N 1 2 221.304 1.815 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091515803 345596489 /nfs/dbraw/zinc/59/64/89/345596489.db2.gz XFODLOBFADBGQW-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000091515803 345596490 /nfs/dbraw/zinc/59/64/90/345596490.db2.gz XFODLOBFADBGQW-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091077944 345582547 /nfs/dbraw/zinc/58/25/47/345582547.db2.gz GGTQPMLWKREPDG-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCc2n[nH]cc2C1 ZINC000091077944 345582549 /nfs/dbraw/zinc/58/25/49/345582549.db2.gz GGTQPMLWKREPDG-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2n[nH]c(=O)[nH]2)cc1 ZINC000092617110 345641796 /nfs/dbraw/zinc/64/17/96/345641796.db2.gz PTNJPEJAKTVBMT-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)[nH]2)cc1 ZINC000092617110 345641797 /nfs/dbraw/zinc/64/17/97/345641797.db2.gz PTNJPEJAKTVBMT-UHFFFAOYSA-N 1 2 232.287 1.451 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000622636828 345695798 /nfs/dbraw/zinc/69/57/98/345695798.db2.gz KCIALCOIRFXSPY-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO O=C1C[N@H+](Cc2cccc(O)c2)CCN1C1CC1 ZINC000093444788 345670702 /nfs/dbraw/zinc/67/07/02/345670702.db2.gz YAGXVIFOOKBGLC-UHFFFAOYSA-N 1 2 246.310 1.199 20 0 BDADLO O=C1C[N@@H+](Cc2cccc(O)c2)CCN1C1CC1 ZINC000093444788 345670707 /nfs/dbraw/zinc/67/07/07/345670707.db2.gz YAGXVIFOOKBGLC-UHFFFAOYSA-N 1 2 246.310 1.199 20 0 BDADLO C[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000113886812 345675073 /nfs/dbraw/zinc/67/50/73/345675073.db2.gz FKULUPZAKHEXDK-YEZKRMTDSA-N 1 2 219.288 1.681 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1cnc(C)o1 ZINC000641718749 362634444 /nfs/dbraw/zinc/63/44/44/362634444.db2.gz YGWGSKMGEFSJJG-UHFFFAOYSA-N 1 2 244.258 1.213 20 0 BDADLO CCCCCn1cc[nH+]c1CN1CCOCC1 ZINC000641724661 362640421 /nfs/dbraw/zinc/64/04/21/362640421.db2.gz FWWRPHDNFGHOID-UHFFFAOYSA-N 1 2 237.347 1.906 20 0 BDADLO CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032247828 345759198 /nfs/dbraw/zinc/75/91/98/345759198.db2.gz JARCELFZNGRBJT-AWEZNQCLSA-N 1 2 248.326 1.024 20 0 BDADLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032247828 345759202 /nfs/dbraw/zinc/75/92/02/345759202.db2.gz JARCELFZNGRBJT-AWEZNQCLSA-N 1 2 248.326 1.024 20 0 BDADLO CC[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000224985429 345750311 /nfs/dbraw/zinc/75/03/11/345750311.db2.gz MOYVAESRERMKDB-JTQLQIEISA-N 1 2 209.293 1.436 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]1C1CC1 ZINC000622636620 345700387 /nfs/dbraw/zinc/70/03/87/345700387.db2.gz FXFBYCVKCHHRSA-SNVBAGLBSA-N 1 2 219.288 1.353 20 0 BDADLO Nc1[nH+]cnc(N2CC=CCC2)c1Cl ZINC000236389167 537914686 /nfs/dbraw/zinc/91/46/86/537914686.db2.gz PSAJPSKWVOBKQQ-UHFFFAOYSA-N 1 2 210.668 1.479 20 0 BDADLO Nc1nc[nH+]c(N2CC=CCC2)c1Cl ZINC000236389167 537914692 /nfs/dbraw/zinc/91/46/92/537914692.db2.gz PSAJPSKWVOBKQQ-UHFFFAOYSA-N 1 2 210.668 1.479 20 0 BDADLO C[C@@H](NC(=O)Cc1cccc(F)c1)c1[nH]cc[nH+]1 ZINC000140888670 345824534 /nfs/dbraw/zinc/82/45/34/345824534.db2.gz JYIPSCBTPPOQAX-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635623501 345897794 /nfs/dbraw/zinc/89/77/94/345897794.db2.gz DBHVBQFIMDINIS-NXEZZACHSA-N 1 2 233.315 1.772 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635623501 345897797 /nfs/dbraw/zinc/89/77/97/345897797.db2.gz DBHVBQFIMDINIS-NXEZZACHSA-N 1 2 233.315 1.772 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1ccn(C)n1 ZINC000181387392 345930005 /nfs/dbraw/zinc/93/00/05/345930005.db2.gz RCVUQABDMWSSEH-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)Cc2ccc[nH]2)[nH+]1 ZINC000635644570 345920345 /nfs/dbraw/zinc/92/03/45/345920345.db2.gz RXJWJCWCIMWNJZ-UHFFFAOYSA-N 1 2 246.314 1.501 20 0 BDADLO Cc1cccc(CCNc2ccc(CO)c[nH+]2)c1 ZINC000449299088 201862383 /nfs/dbraw/zinc/86/23/83/201862383.db2.gz KPMSOPONTKMZQM-UHFFFAOYSA-N 1 2 242.322 1.959 20 0 BDADLO CCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635654712 345933335 /nfs/dbraw/zinc/93/33/35/345933335.db2.gz KJEGKGLQBSUDIT-NXEZZACHSA-N 1 2 233.315 1.820 20 0 BDADLO CCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635654712 345933338 /nfs/dbraw/zinc/93/33/38/345933338.db2.gz KJEGKGLQBSUDIT-NXEZZACHSA-N 1 2 233.315 1.820 20 0 BDADLO CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000087805987 345941189 /nfs/dbraw/zinc/94/11/89/345941189.db2.gz MJYFEARRGRRZRG-SECBINFHSA-N 1 2 206.293 1.755 20 0 BDADLO CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000087805987 345941191 /nfs/dbraw/zinc/94/11/91/345941191.db2.gz MJYFEARRGRRZRG-SECBINFHSA-N 1 2 206.293 1.755 20 0 BDADLO C[C@H]1OCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1C ZINC000635702093 345989915 /nfs/dbraw/zinc/98/99/15/345989915.db2.gz VKLNEMKMRIIASH-GWOFURMSSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@H]1OCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1C ZINC000635702093 345989918 /nfs/dbraw/zinc/98/99/18/345989918.db2.gz VKLNEMKMRIIASH-GWOFURMSSA-N 1 2 249.314 1.149 20 0 BDADLO CN(C(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC000570967272 323102205 /nfs/dbraw/zinc/10/22/05/323102205.db2.gz AEXSJBZHRIUDSZ-UHFFFAOYSA-N 1 2 209.293 1.530 20 0 BDADLO C[C@@H](C(=O)NCCCC1CC1)[NH+]1CCOCC1 ZINC000570983437 323102824 /nfs/dbraw/zinc/10/28/24/323102824.db2.gz LMKWSUXDUYUORC-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000419018775 192094297 /nfs/dbraw/zinc/09/42/97/192094297.db2.gz PXVHPODNDATPLJ-KXUCPTDWSA-N 1 2 245.330 1.844 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153816433 537933860 /nfs/dbraw/zinc/93/38/60/537933860.db2.gz HNQITLNHBKNZFE-CHWSQXEVSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1ccc2[nH+]c(CN=c3cco[nH]3)cn2c1 ZINC000340692722 178974603 /nfs/dbraw/zinc/97/46/03/178974603.db2.gz BGMXIRUNJNXXKU-UHFFFAOYSA-N 1 2 228.255 1.665 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635874773 346095271 /nfs/dbraw/zinc/09/52/71/346095271.db2.gz IRGPPCGMAFJNGR-ZYUZMQFOSA-N 1 2 219.288 1.523 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635874773 346095273 /nfs/dbraw/zinc/09/52/73/346095273.db2.gz IRGPPCGMAFJNGR-ZYUZMQFOSA-N 1 2 219.288 1.523 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635866464 346097996 /nfs/dbraw/zinc/09/79/96/346097996.db2.gz GHJNGXFHHBAMEO-KNDBQHFLSA-N 1 2 231.299 1.428 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635866464 346097997 /nfs/dbraw/zinc/09/79/97/346097997.db2.gz GHJNGXFHHBAMEO-KNDBQHFLSA-N 1 2 231.299 1.428 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]1C(F)F ZINC000635990295 346141544 /nfs/dbraw/zinc/14/15/44/346141544.db2.gz NFNROONJAMJOEE-BHNWBGBOSA-N 1 2 241.241 1.379 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]1C(F)F ZINC000635990295 346141546 /nfs/dbraw/zinc/14/15/46/346141546.db2.gz NFNROONJAMJOEE-BHNWBGBOSA-N 1 2 241.241 1.379 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000635933941 346113430 /nfs/dbraw/zinc/11/34/30/346113430.db2.gz VNXMBIXSSWCCTC-SFYZADRCSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(F)(F)F ZINC000635933941 346113432 /nfs/dbraw/zinc/11/34/32/346113432.db2.gz VNXMBIXSSWCCTC-SFYZADRCSA-N 1 2 238.253 1.538 20 0 BDADLO CSc1ncc(OCc2c[nH+]cn2C)cn1 ZINC000419010084 192098129 /nfs/dbraw/zinc/09/81/29/192098129.db2.gz YHEVMYNWYYDHGD-UHFFFAOYSA-N 1 2 236.300 1.511 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587044896 346177033 /nfs/dbraw/zinc/17/70/33/346177033.db2.gz BILCHQLDRVVNHI-RKDXNWHRSA-N 1 2 239.344 1.066 20 0 BDADLO CC1(C)COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635998250 346149963 /nfs/dbraw/zinc/14/99/63/346149963.db2.gz DIANUIAEXGLPAF-FXPVBKGRSA-N 1 2 249.314 1.054 20 0 BDADLO CC1(C)COC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635998250 346149967 /nfs/dbraw/zinc/14/99/67/346149967.db2.gz DIANUIAEXGLPAF-FXPVBKGRSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)O1 ZINC000636015724 346156636 /nfs/dbraw/zinc/15/66/36/346156636.db2.gz NSZPRNFSVFFENW-LNFKQOIKSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)O1 ZINC000636015724 346156638 /nfs/dbraw/zinc/15/66/38/346156638.db2.gz NSZPRNFSVFFENW-LNFKQOIKSA-N 1 2 249.314 1.197 20 0 BDADLO COCC1=CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628240658 346203127 /nfs/dbraw/zinc/20/31/27/346203127.db2.gz NXKQRTBSZZMPGW-UHFFFAOYSA-N 1 2 235.331 1.805 20 0 BDADLO COCC1=CC[N@H+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000628240658 346203130 /nfs/dbraw/zinc/20/31/30/346203130.db2.gz NXKQRTBSZZMPGW-UHFFFAOYSA-N 1 2 235.331 1.805 20 0 BDADLO COCC1=CC[N@@H+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000628240658 346203134 /nfs/dbraw/zinc/20/31/34/346203134.db2.gz NXKQRTBSZZMPGW-UHFFFAOYSA-N 1 2 235.331 1.805 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C3CC3)C2)[nH+]c1C ZINC000628241522 346203737 /nfs/dbraw/zinc/20/37/37/346203737.db2.gz ZKABQQYTYSVTSN-GFCCVEGCSA-N 1 2 235.331 1.637 20 0 BDADLO CCc1cc(N[C@@H](C)Cn2cncn2)nc[nH+]1 ZINC000603386348 349942129 /nfs/dbraw/zinc/94/21/29/349942129.db2.gz SERLPIZGMUGSNS-VIFPVBQESA-N 1 2 232.291 1.131 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000245841651 537955534 /nfs/dbraw/zinc/95/55/34/537955534.db2.gz JWNODXHTEZGPDL-GHMZBOCLSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000245841651 537955538 /nfs/dbraw/zinc/95/55/38/537955538.db2.gz JWNODXHTEZGPDL-GHMZBOCLSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1cc(NCCCc2nc(C)no2)nc[nH+]1 ZINC000603390787 349943968 /nfs/dbraw/zinc/94/39/68/349943968.db2.gz NEMFFMMCMASTNG-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO C[C@@]1(C[N@H+](CCO)CC(F)F)CCCS1 ZINC000628256376 346254188 /nfs/dbraw/zinc/25/41/88/346254188.db2.gz UAZHMXFZXDLRLC-JTQLQIEISA-N 1 2 239.331 1.832 20 0 BDADLO C[C@@]1(C[N@@H+](CCO)CC(F)F)CCCS1 ZINC000628256376 346254190 /nfs/dbraw/zinc/25/41/90/346254190.db2.gz UAZHMXFZXDLRLC-JTQLQIEISA-N 1 2 239.331 1.832 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628275774 346284406 /nfs/dbraw/zinc/28/44/06/346284406.db2.gz CCRXAXLQZFONLZ-MRVPVSSYSA-N 1 2 211.309 1.493 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628275774 346284411 /nfs/dbraw/zinc/28/44/11/346284411.db2.gz CCRXAXLQZFONLZ-MRVPVSSYSA-N 1 2 211.309 1.493 20 0 BDADLO CO[C@H](C)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628275774 346284413 /nfs/dbraw/zinc/28/44/13/346284413.db2.gz CCRXAXLQZFONLZ-MRVPVSSYSA-N 1 2 211.309 1.493 20 0 BDADLO Cc1ncc(CN2CCn3c[nH+]cc3C2)o1 ZINC000628285960 346297596 /nfs/dbraw/zinc/29/75/96/346297596.db2.gz OQUHQOSATIDCME-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO C[C@H](CNC(=O)CCC(F)F)Cn1cc[nH+]c1 ZINC000684446889 488314250 /nfs/dbraw/zinc/31/42/50/488314250.db2.gz NKDWJWFATNGRFL-SECBINFHSA-N 1 2 245.273 1.681 20 0 BDADLO OCc1ccc(CNc2cc(CO)cc[nH+]2)o1 ZINC000641762926 362693706 /nfs/dbraw/zinc/69/37/06/362693706.db2.gz UXOOAUAUASMHTI-UHFFFAOYSA-N 1 2 234.255 1.271 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@]23C[C@H]2CCC3)[nH+]1 ZINC000636157552 346339507 /nfs/dbraw/zinc/33/95/07/346339507.db2.gz NFRVWMKEFRAYKW-NOZJJQNGSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636157118 346339894 /nfs/dbraw/zinc/33/98/94/346339894.db2.gz HDWVXZLRUAXLQN-VWMGYNLJSA-N 1 2 231.299 1.572 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636157118 346339897 /nfs/dbraw/zinc/33/98/97/346339897.db2.gz HDWVXZLRUAXLQN-VWMGYNLJSA-N 1 2 231.299 1.572 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636259783 346372120 /nfs/dbraw/zinc/37/21/20/346372120.db2.gz ISPRXXPGSHTPBL-MRGUHSIWSA-N 1 2 249.314 1.197 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636259783 346372123 /nfs/dbraw/zinc/37/21/23/346372123.db2.gz ISPRXXPGSHTPBL-MRGUHSIWSA-N 1 2 249.314 1.197 20 0 BDADLO CN(CC1(O)CCC1)c1nc[nH+]c(N)c1Cl ZINC000381590816 346394554 /nfs/dbraw/zinc/39/45/54/346394554.db2.gz CZWBYACHXQVDCQ-UHFFFAOYSA-N 1 2 242.710 1.063 20 0 BDADLO CN(CC1(O)CCC1)c1[nH+]cnc(N)c1Cl ZINC000381590816 346394556 /nfs/dbraw/zinc/39/45/56/346394556.db2.gz CZWBYACHXQVDCQ-UHFFFAOYSA-N 1 2 242.710 1.063 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000337380071 179076940 /nfs/dbraw/zinc/07/69/40/179076940.db2.gz XZGDGCIBRHKSTR-UHFFFAOYSA-N 1 2 244.338 1.802 20 0 BDADLO Cc1cccc(C[N@H+]2CCN(C3CC3)C(=O)C2)c1 ZINC000337380071 179076943 /nfs/dbraw/zinc/07/69/43/179076943.db2.gz XZGDGCIBRHKSTR-UHFFFAOYSA-N 1 2 244.338 1.802 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000574917429 346410773 /nfs/dbraw/zinc/41/07/73/346410773.db2.gz ALUUMILMCJKSPH-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000574917429 346410774 /nfs/dbraw/zinc/41/07/74/346410774.db2.gz ALUUMILMCJKSPH-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC[C@@H]1C1CCC1 ZINC000574917429 346410777 /nfs/dbraw/zinc/41/07/77/346410777.db2.gz ALUUMILMCJKSPH-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679218300 488318179 /nfs/dbraw/zinc/31/81/79/488318179.db2.gz CYENMTIJXUDASV-GRYCIOLGSA-N 1 2 244.354 1.971 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCCn3nccc32)c[nH+]1 ZINC000636378815 346429024 /nfs/dbraw/zinc/42/90/24/346429024.db2.gz PWVPDVASKWWMAR-VIFPVBQESA-N 1 2 245.286 1.180 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679220677 488319396 /nfs/dbraw/zinc/31/93/96/488319396.db2.gz JCSJRAGACYCCSL-MNOVXSKESA-N 1 2 230.327 1.439 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679220677 488319397 /nfs/dbraw/zinc/31/93/97/488319397.db2.gz JCSJRAGACYCCSL-MNOVXSKESA-N 1 2 230.327 1.439 20 0 BDADLO Cc1[nH]c(CNc2ccc3ncnn3c2)[nH+]c1C ZINC000641794777 362734325 /nfs/dbraw/zinc/73/43/25/362734325.db2.gz PJBJUYFKPPMDPW-UHFFFAOYSA-N 1 2 242.286 1.681 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@H]1F ZINC000679223830 488320954 /nfs/dbraw/zinc/32/09/54/488320954.db2.gz LZUWRORZEQNPRJ-VXGBXAGGSA-N 1 2 242.338 1.679 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@H]1F ZINC000679223830 488320955 /nfs/dbraw/zinc/32/09/55/488320955.db2.gz LZUWRORZEQNPRJ-VXGBXAGGSA-N 1 2 242.338 1.679 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)C1(CF)CCC1 ZINC000575061310 346474928 /nfs/dbraw/zinc/47/49/28/346474928.db2.gz BRWGDBNBWXIKMG-UHFFFAOYSA-N 1 2 237.278 1.406 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CCO[C@H](C)C2 ZINC000334837858 346514196 /nfs/dbraw/zinc/51/41/96/346514196.db2.gz XLXATHFJALIAPN-BXKDBHETSA-N 1 2 226.320 1.112 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](CC)OC)C(=O)OC ZINC000419207431 192103724 /nfs/dbraw/zinc/10/37/24/192103724.db2.gz OVQARDNLYAAIHF-JQWIXIFHSA-N 1 2 231.336 1.733 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000186907018 346545803 /nfs/dbraw/zinc/54/58/03/346545803.db2.gz HSYQVZLHBDTUPC-MNOVXSKESA-N 1 2 235.331 1.658 20 0 BDADLO Cc1cccc(N(C)Cc2nc[nH]n2)[nH+]1 ZINC000274582719 179118540 /nfs/dbraw/zinc/11/85/40/179118540.db2.gz HZAGFIPUOOAHJH-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1cccc(N(C)Cc2nnc[nH]2)[nH+]1 ZINC000274582719 179118543 /nfs/dbraw/zinc/11/85/43/179118543.db2.gz HZAGFIPUOOAHJH-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC(C)(C)C1 ZINC000684496787 488322290 /nfs/dbraw/zinc/32/22/90/488322290.db2.gz LBRQUNIFEXDKFU-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO CSCCCCCNC(=O)Cn1cc[nH+]c1 ZINC000580141677 346550591 /nfs/dbraw/zinc/55/05/91/346550591.db2.gz TVHDDLFNFCXMNW-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO CC(C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636448018 346569683 /nfs/dbraw/zinc/56/96/83/346569683.db2.gz SARYCTBWADJUKL-SNVBAGLBSA-N 1 2 236.319 1.153 20 0 BDADLO CC[C@](O)(C[NH+]1CCOCC1)C(F)(F)F ZINC000669379974 537984361 /nfs/dbraw/zinc/98/43/61/537984361.db2.gz NQQKHTNQUVYRFK-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000580712962 346586928 /nfs/dbraw/zinc/58/69/28/346586928.db2.gz VZSGSAYMNFJKRM-ZJUUUORDSA-N 1 2 237.303 1.243 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)no1 ZINC000580712962 346586933 /nfs/dbraw/zinc/58/69/33/346586933.db2.gz VZSGSAYMNFJKRM-ZJUUUORDSA-N 1 2 237.303 1.243 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)CCn1cc[nH+]c1 ZINC000621049499 346597663 /nfs/dbraw/zinc/59/76/63/346597663.db2.gz GTEIYQVAAAFZNZ-NSHDSACASA-N 1 2 235.331 1.778 20 0 BDADLO Cc1cccc(NC(=O)COCc2[nH]cc[nH+]2)c1 ZINC000123802121 179128818 /nfs/dbraw/zinc/12/88/18/179128818.db2.gz NPYVQBJHCQKZIT-UHFFFAOYSA-N 1 2 245.282 1.873 20 0 BDADLO COCCOCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000589644174 346724477 /nfs/dbraw/zinc/72/44/77/346724477.db2.gz HIHZRBOHFXMSNA-UHFFFAOYSA-N 1 2 249.314 1.316 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccsc1 ZINC000580210313 346679915 /nfs/dbraw/zinc/67/99/15/346679915.db2.gz RBLKFHWCSWPLPZ-VIFPVBQESA-N 1 2 249.339 1.966 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccsc1 ZINC000580210313 346679918 /nfs/dbraw/zinc/67/99/18/346679918.db2.gz RBLKFHWCSWPLPZ-VIFPVBQESA-N 1 2 249.339 1.966 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCOCC2(C)C)[nH+]1 ZINC000184565278 179145565 /nfs/dbraw/zinc/14/55/65/179145565.db2.gz PGQKOTZKDMHTIO-UHFFFAOYSA-N 1 2 249.358 1.913 20 0 BDADLO Cc1cccc(NCC[N@H+]2CCOCC2(C)C)[nH+]1 ZINC000184565278 179145569 /nfs/dbraw/zinc/14/55/69/179145569.db2.gz PGQKOTZKDMHTIO-UHFFFAOYSA-N 1 2 249.358 1.913 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OCC ZINC000390547129 259393349 /nfs/dbraw/zinc/39/33/49/259393349.db2.gz NECNJAVYPNBPEN-HBNTYKKESA-N 1 2 231.336 1.731 20 0 BDADLO Cc1cccc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000049509291 179153027 /nfs/dbraw/zinc/15/30/27/179153027.db2.gz CLZPIZZETWEEHM-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO CC[C@@H]([NH2+]Cc1cc(C)no1)c1nccn1C ZINC000182838886 347108192 /nfs/dbraw/zinc/10/81/92/347108192.db2.gz RGVSHLBYWPZWIY-LLVKDONJSA-N 1 2 234.303 1.957 20 0 BDADLO CC(C)(C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627372048 347159876 /nfs/dbraw/zinc/15/98/76/347159876.db2.gz ALKRAGMTLQMANA-UHFFFAOYSA-N 1 2 233.315 1.731 20 0 BDADLO CC(C)(C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627372048 347159880 /nfs/dbraw/zinc/15/98/80/347159880.db2.gz ALKRAGMTLQMANA-UHFFFAOYSA-N 1 2 233.315 1.731 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)C1CC1 ZINC000632405491 347173159 /nfs/dbraw/zinc/17/31/59/347173159.db2.gz SNDLGUPQFVWYNK-QMMMGPOBSA-N 1 2 243.332 1.046 20 0 BDADLO CCc1cc(C[NH2+]Cc2conc2C)on1 ZINC000382210208 347235307 /nfs/dbraw/zinc/23/53/07/347235307.db2.gz GWIXFYRDJGWWAS-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CC)[C@@H](C)CC ZINC000390594705 259394665 /nfs/dbraw/zinc/39/46/65/259394665.db2.gz ADZXQAJDFJXGOW-DCAQKATOSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1c[nH]c(CN(C2CC2)C2COC2)[nH+]1 ZINC000628297456 347246030 /nfs/dbraw/zinc/24/60/30/347246030.db2.gz YDVWOHDKAAIOPL-UHFFFAOYSA-N 1 2 207.277 1.081 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@H](O)C1CC1 ZINC000624024925 347349987 /nfs/dbraw/zinc/34/99/87/347349987.db2.gz DDCIMSADGXRESB-JTQLQIEISA-N 1 2 222.288 1.297 20 0 BDADLO CCN1CCC[N@H+](Cc2cc(C)no2)CC1=O ZINC000190163186 347322487 /nfs/dbraw/zinc/32/24/87/347322487.db2.gz OVSWLADREYJCAX-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCN1CCC[N@@H+](Cc2cc(C)no2)CC1=O ZINC000190163186 347322491 /nfs/dbraw/zinc/32/24/91/347322491.db2.gz OVSWLADREYJCAX-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CC(C)(F)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000618411653 347414956 /nfs/dbraw/zinc/41/49/56/347414956.db2.gz JLIBQTIZVWUETL-UHFFFAOYSA-N 1 2 227.283 1.597 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000616921338 347451055 /nfs/dbraw/zinc/45/10/55/347451055.db2.gz NMIAAHTVLPRIEO-NOZJJQNGSA-N 1 2 249.314 1.183 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000616921338 347451058 /nfs/dbraw/zinc/45/10/58/347451058.db2.gz NMIAAHTVLPRIEO-NOZJJQNGSA-N 1 2 249.314 1.183 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)n1cccn1 ZINC000616921499 347451689 /nfs/dbraw/zinc/45/16/89/347451689.db2.gz SEBSKKNFSSSHLT-JTQLQIEISA-N 1 2 247.302 1.216 20 0 BDADLO C[C@@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)n1cccn1 ZINC000616921499 347451691 /nfs/dbraw/zinc/45/16/91/347451691.db2.gz SEBSKKNFSSSHLT-JTQLQIEISA-N 1 2 247.302 1.216 20 0 BDADLO Cc1c[nH]cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923532 347453207 /nfs/dbraw/zinc/45/32/07/347453207.db2.gz KXVJUXVTLSAVCL-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO Cc1c[nH]cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923532 347453208 /nfs/dbraw/zinc/45/32/08/347453208.db2.gz KXVJUXVTLSAVCL-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO CCCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923606 347455045 /nfs/dbraw/zinc/45/50/45/347455045.db2.gz NUEZHHVAKFBMCY-UHFFFAOYSA-N 1 2 209.293 1.948 20 0 BDADLO CCCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923606 347455046 /nfs/dbraw/zinc/45/50/46/347455046.db2.gz NUEZHHVAKFBMCY-UHFFFAOYSA-N 1 2 209.293 1.948 20 0 BDADLO Cc1ccncc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925354 347455743 /nfs/dbraw/zinc/45/57/43/347455743.db2.gz FHCDMHMYLHGOOL-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1ccncc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925354 347455746 /nfs/dbraw/zinc/45/57/46/347455746.db2.gz FHCDMHMYLHGOOL-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000642062813 362840005 /nfs/dbraw/zinc/84/00/05/362840005.db2.gz PKSGHHGKXJCHRF-JTQLQIEISA-N 1 2 248.330 1.454 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)on1 ZINC000616925251 347456551 /nfs/dbraw/zinc/45/65/51/347456551.db2.gz AOZBQOFLMFOMCJ-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)on1 ZINC000616925251 347456553 /nfs/dbraw/zinc/45/65/53/347456553.db2.gz AOZBQOFLMFOMCJ-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO Cc1ccc(CCC(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616925262 347456619 /nfs/dbraw/zinc/45/66/19/347456619.db2.gz BDPQISDVLFRMBC-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cc1ccc(CCC(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616925262 347456622 /nfs/dbraw/zinc/45/66/22/347456622.db2.gz BDPQISDVLFRMBC-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CO[C@@H](C)CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927653 347456962 /nfs/dbraw/zinc/45/69/62/347456962.db2.gz NHRKWUPAALEXGD-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CO[C@@H](C)CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927653 347456964 /nfs/dbraw/zinc/45/69/64/347456964.db2.gz NHRKWUPAALEXGD-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1CCC1 ZINC000616925684 347457024 /nfs/dbraw/zinc/45/70/24/347457024.db2.gz NCQBOARRSNVFAG-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1CCC1 ZINC000616925684 347457026 /nfs/dbraw/zinc/45/70/26/347457026.db2.gz NCQBOARRSNVFAG-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CC=CC1 ZINC000616925683 347457219 /nfs/dbraw/zinc/45/72/19/347457219.db2.gz NCCJWPCLUUGVFB-UHFFFAOYSA-N 1 2 205.261 1.334 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CC=CC1 ZINC000616925683 347457221 /nfs/dbraw/zinc/45/72/21/347457221.db2.gz NCCJWPCLUUGVFB-UHFFFAOYSA-N 1 2 205.261 1.334 20 0 BDADLO COC(=O)[C@@H](CC(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000590655930 347486421 /nfs/dbraw/zinc/48/64/21/347486421.db2.gz UQNUKBQRNWKNNU-SNVBAGLBSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@@](C)(OC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928519 347494621 /nfs/dbraw/zinc/49/46/21/347494621.db2.gz CVVAIKXFTBGUQL-LLVKDONJSA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@@](C)(OC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928519 347494622 /nfs/dbraw/zinc/49/46/22/347494622.db2.gz CVVAIKXFTBGUQL-LLVKDONJSA-N 1 2 225.292 1.183 20 0 BDADLO CCc1occc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928850 347496132 /nfs/dbraw/zinc/49/61/32/347496132.db2.gz OPQDFDVBWRFOCZ-UHFFFAOYSA-N 1 2 233.271 1.837 20 0 BDADLO CCc1occc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928850 347496133 /nfs/dbraw/zinc/49/61/33/347496133.db2.gz OPQDFDVBWRFOCZ-UHFFFAOYSA-N 1 2 233.271 1.837 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590730350 347497231 /nfs/dbraw/zinc/49/72/31/347497231.db2.gz IWRGHIRFXIMBDB-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616925978 347457926 /nfs/dbraw/zinc/45/79/26/347457926.db2.gz YFNBQUFDZFCHBI-QMMMGPOBSA-N 1 2 207.277 1.414 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616925978 347457928 /nfs/dbraw/zinc/45/79/28/347457928.db2.gz YFNBQUFDZFCHBI-QMMMGPOBSA-N 1 2 207.277 1.414 20 0 BDADLO CC1=C(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000616926646 347457942 /nfs/dbraw/zinc/45/79/42/347457942.db2.gz KECYSRJUHCFTKL-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO CC1=C(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000616926646 347457945 /nfs/dbraw/zinc/45/79/45/347457945.db2.gz KECYSRJUHCFTKL-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(O)CCCCC1 ZINC000616926453 347457972 /nfs/dbraw/zinc/45/79/72/347457972.db2.gz CQKVPGJIJLZWEP-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(O)CCCCC1 ZINC000616926453 347457973 /nfs/dbraw/zinc/45/79/73/347457973.db2.gz CQKVPGJIJLZWEP-UHFFFAOYSA-N 1 2 237.303 1.063 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000616926422 347458213 /nfs/dbraw/zinc/45/82/13/347458213.db2.gz BMCLWVKDIQQWPH-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000616926422 347458217 /nfs/dbraw/zinc/45/82/17/347458217.db2.gz BMCLWVKDIQQWPH-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO Cc1ncc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC000616926841 347459471 /nfs/dbraw/zinc/45/94/71/347459471.db2.gz RUDBFDJCXMGTGV-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO Cc1ncc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC000616926841 347459473 /nfs/dbraw/zinc/45/94/73/347459473.db2.gz RUDBFDJCXMGTGV-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCc1ccoc1 ZINC000616926829 347459491 /nfs/dbraw/zinc/45/94/91/347459491.db2.gz RJISJEYRKHGNCD-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCc1ccoc1 ZINC000616926829 347459493 /nfs/dbraw/zinc/45/94/93/347459493.db2.gz RJISJEYRKHGNCD-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CC(C)OCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927223 347460424 /nfs/dbraw/zinc/46/04/24/347460424.db2.gz DKUQKZZUIFCWNF-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CC(C)OCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927223 347460428 /nfs/dbraw/zinc/46/04/28/347460428.db2.gz DKUQKZZUIFCWNF-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000590706113 347498160 /nfs/dbraw/zinc/49/81/60/347498160.db2.gz BYXREPCNSMKHOH-NXEZZACHSA-N 1 2 231.336 1.325 20 0 BDADLO CC(C)SCC[N@H+](C)Cc1ncc[nH]1 ZINC000590599598 347479782 /nfs/dbraw/zinc/47/97/82/347479782.db2.gz HQUGTKSNYKKVPY-UHFFFAOYSA-N 1 2 213.350 1.983 20 0 BDADLO CC(C)SCC[N@@H+](C)Cc1ncc[nH]1 ZINC000590599598 347479784 /nfs/dbraw/zinc/47/97/84/347479784.db2.gz HQUGTKSNYKKVPY-UHFFFAOYSA-N 1 2 213.350 1.983 20 0 BDADLO CC(C)CO[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000590737521 347501948 /nfs/dbraw/zinc/50/19/48/347501948.db2.gz SCIPYYRTOSFWSZ-SNVBAGLBSA-N 1 2 239.319 1.097 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590816505 347567700 /nfs/dbraw/zinc/56/77/00/347567700.db2.gz YGPPHJMYGWLMES-SNVBAGLBSA-N 1 2 245.286 1.084 20 0 BDADLO O=C(c1cnc[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590816505 347567703 /nfs/dbraw/zinc/56/77/03/347567703.db2.gz YGPPHJMYGWLMES-SNVBAGLBSA-N 1 2 245.286 1.084 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972481 347598194 /nfs/dbraw/zinc/59/81/94/347598194.db2.gz YZEWQPJFEYPGQD-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972481 347598197 /nfs/dbraw/zinc/59/81/97/347598197.db2.gz YZEWQPJFEYPGQD-MNOVXSKESA-N 1 2 241.331 1.439 20 0 BDADLO C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636644780 347647329 /nfs/dbraw/zinc/64/73/29/347647329.db2.gz YBXRWPVHLHMDLN-MWLCHTKSSA-N 1 2 248.330 1.153 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1cnn[nH]1 ZINC000296570903 179270031 /nfs/dbraw/zinc/27/00/31/179270031.db2.gz QKHIWDDCCRSREV-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1cnn[nH]1 ZINC000296570903 179270032 /nfs/dbraw/zinc/27/00/32/179270032.db2.gz QKHIWDDCCRSREV-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1c[nH]nn1 ZINC000296570903 179270034 /nfs/dbraw/zinc/27/00/34/179270034.db2.gz QKHIWDDCCRSREV-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1c[nH]nn1 ZINC000296570903 179270035 /nfs/dbraw/zinc/27/00/35/179270035.db2.gz QKHIWDDCCRSREV-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cn1cnc2c1CC[N@H+](C[C@H]1CCCCO1)C2 ZINC000591919916 347710597 /nfs/dbraw/zinc/71/05/97/347710597.db2.gz XNWXLTAPAUBLOF-LLVKDONJSA-N 1 2 235.331 1.347 20 0 BDADLO Cn1cnc2c1CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC000591919916 347710598 /nfs/dbraw/zinc/71/05/98/347710598.db2.gz XNWXLTAPAUBLOF-LLVKDONJSA-N 1 2 235.331 1.347 20 0 BDADLO Cn1c[nH+]c2c1CCN(C[C@H]1CCCCO1)C2 ZINC000591919916 347710599 /nfs/dbraw/zinc/71/05/99/347710599.db2.gz XNWXLTAPAUBLOF-LLVKDONJSA-N 1 2 235.331 1.347 20 0 BDADLO CCc1nnc2n1CC[N@@H+](Cc1cccnc1)C2 ZINC000591889507 347711965 /nfs/dbraw/zinc/71/19/65/347711965.db2.gz GDVDPOWZJFDFQD-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCc1nnc2n1CC[N@H+](Cc1cccnc1)C2 ZINC000591889507 347711969 /nfs/dbraw/zinc/71/19/69/347711969.db2.gz GDVDPOWZJFDFQD-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H](CC(C)C)OC ZINC000419190017 192108190 /nfs/dbraw/zinc/10/81/90/192108190.db2.gz MEKOJXJLZBNECL-SNVBAGLBSA-N 1 2 231.336 1.589 20 0 BDADLO CC[N@H+](CCSC)Cc1ncnn1C ZINC000592200142 347752186 /nfs/dbraw/zinc/75/21/86/347752186.db2.gz KZUNGOVMUOWUPU-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO CC[N@@H+](CCSC)Cc1ncnn1C ZINC000592200142 347752188 /nfs/dbraw/zinc/75/21/88/347752188.db2.gz KZUNGOVMUOWUPU-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO CC[N@H+](CCSC)Cc1nc(C)no1 ZINC000592201004 347752987 /nfs/dbraw/zinc/75/29/87/347752987.db2.gz AQIFFHJAKBFDEX-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CC[N@@H+](CCSC)Cc1nc(C)no1 ZINC000592201004 347752989 /nfs/dbraw/zinc/75/29/89/347752989.db2.gz AQIFFHJAKBFDEX-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(F)F ZINC000308585172 347883114 /nfs/dbraw/zinc/88/31/14/347883114.db2.gz IAPAAWAGPLUFBE-BQBZGAKWSA-N 1 2 209.236 1.429 20 0 BDADLO CSCC1(CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000593462558 347899847 /nfs/dbraw/zinc/89/98/47/347899847.db2.gz DLBRNFPOVUDOIY-UHFFFAOYSA-N 1 2 239.344 1.559 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000593689333 347927858 /nfs/dbraw/zinc/92/78/58/347927858.db2.gz SKMKHUAMVLGZRS-RVIYUIFMSA-N 1 2 239.340 1.547 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000593689333 347927859 /nfs/dbraw/zinc/92/78/59/347927859.db2.gz SKMKHUAMVLGZRS-RVIYUIFMSA-N 1 2 239.340 1.547 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000577413116 365950340 /nfs/dbraw/zinc/95/03/40/365950340.db2.gz QVUOQSINQZYGEA-PWSUYJOCSA-N 1 2 235.331 1.845 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000577413116 365950344 /nfs/dbraw/zinc/95/03/44/365950344.db2.gz QVUOQSINQZYGEA-PWSUYJOCSA-N 1 2 235.331 1.845 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1cnc(C2CC2)o1 ZINC000577413538 365950356 /nfs/dbraw/zinc/95/03/56/365950356.db2.gz XQXPABMUTKMJSA-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1ccccc1[C@H](C)[NH2+]Cc1ncn(C)n1 ZINC000152678095 179339024 /nfs/dbraw/zinc/33/90/24/179339024.db2.gz FFEDEEIBVIUZMV-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO CC[C@H]([NH2+]CCc1cnccc1C)C(=O)OC ZINC000594711917 348104376 /nfs/dbraw/zinc/10/43/76/348104376.db2.gz OBUXCQQTIOWGNO-LBPRGKRZSA-N 1 2 236.315 1.474 20 0 BDADLO CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C(=O)OC ZINC000594724111 348108547 /nfs/dbraw/zinc/10/85/47/348108547.db2.gz CVSAKKUCTFXYIT-VXNVDRBHSA-N 1 2 221.247 1.573 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000594615535 348083957 /nfs/dbraw/zinc/08/39/57/348083957.db2.gz WFDWGXDUKABADC-IWSPIJDZSA-N 1 2 217.334 1.422 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000594615536 348083962 /nfs/dbraw/zinc/08/39/62/348083962.db2.gz WFDWGXDUKABADC-VGMNWLOBSA-N 1 2 217.334 1.422 20 0 BDADLO COC(=O)Cc1cccc(NC[C@H]2C[C@H]2C)[nH+]1 ZINC000617100604 348084963 /nfs/dbraw/zinc/08/49/63/348084963.db2.gz JXYZLOYGGJTPLJ-NXEZZACHSA-N 1 2 234.299 1.865 20 0 BDADLO Cc1cccn2c(CN3CC(F)C3)c[nH+]c12 ZINC000335148402 179354091 /nfs/dbraw/zinc/35/40/91/179354091.db2.gz WJFKMGORIKBFCG-UHFFFAOYSA-N 1 2 219.263 1.796 20 0 BDADLO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000594961448 348151531 /nfs/dbraw/zinc/15/15/31/348151531.db2.gz NMUCWMQYEZGLTK-RDGWCUKFSA-N 1 2 241.360 1.189 20 0 BDADLO CC(C)=CCC[NH+]1CCS(=O)CC1 ZINC000595314049 348223603 /nfs/dbraw/zinc/22/36/03/348223603.db2.gz DJHWJOYRIMBISW-UHFFFAOYSA-N 1 2 201.335 1.407 20 0 BDADLO COC[C@@](C)([NH2+]CCCC1CCC1)C(=O)OC ZINC000595408071 348240661 /nfs/dbraw/zinc/24/06/61/348240661.db2.gz LJHYDTOKDXKADV-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1COC(C)(C)C1)C1CC1 ZINC000396567178 348255489 /nfs/dbraw/zinc/25/54/89/348255489.db2.gz CNHXCTVSRFSKLK-VHSXEESVSA-N 1 2 227.304 1.095 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396558805 348232064 /nfs/dbraw/zinc/23/20/64/348232064.db2.gz RTTXTGVJMCBYBS-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396558805 348232068 /nfs/dbraw/zinc/23/20/68/348232068.db2.gz RTTXTGVJMCBYBS-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO COCC1(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493854138 348269167 /nfs/dbraw/zinc/26/91/67/348269167.db2.gz MOORFRDWKLIWRZ-IHWYPQMZSA-N 1 2 249.314 1.356 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000595534260 348275292 /nfs/dbraw/zinc/27/52/92/348275292.db2.gz RNEQHORVESROJE-LOWVWBTDSA-N 1 2 243.347 1.326 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616794 348289843 /nfs/dbraw/zinc/28/98/43/348289843.db2.gz CRTGHBYFQUUYTF-CABZTGNLSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616794 348289844 /nfs/dbraw/zinc/28/98/44/348289844.db2.gz CRTGHBYFQUUYTF-CABZTGNLSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@@]1([NH2+]CC[C@@H](C)O)CC[C@@H](C)CC1 ZINC000595705257 348308266 /nfs/dbraw/zinc/30/82/66/348308266.db2.gz QXOGXZYVHDTJJY-NQBHXWOUSA-N 1 2 243.347 1.469 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1c[nH+]ccc1OC ZINC000299529776 352538541 /nfs/dbraw/zinc/53/85/41/352538541.db2.gz YXMVQGFFJUBIMC-SECBINFHSA-N 1 2 224.260 1.454 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](OC)C1CC1 ZINC000595771710 348336689 /nfs/dbraw/zinc/33/66/89/348336689.db2.gz DPIOEOHLDMXXBT-JQWIXIFHSA-N 1 2 247.310 1.292 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1CCCCO1 ZINC000595775169 348337858 /nfs/dbraw/zinc/33/78/58/348337858.db2.gz QDRPFLKHDOTHPV-PWSUYJOCSA-N 1 2 247.310 1.436 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595813214 348352466 /nfs/dbraw/zinc/35/24/66/348352466.db2.gz ZAGPZYKVNOZPDD-RKDXNWHRSA-N 1 2 236.271 1.303 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595813214 348352468 /nfs/dbraw/zinc/35/24/68/348352468.db2.gz ZAGPZYKVNOZPDD-RKDXNWHRSA-N 1 2 236.271 1.303 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ncc(C)cn2)C1 ZINC000595850428 348355778 /nfs/dbraw/zinc/35/57/78/348355778.db2.gz QXNCKOGVAUIDRA-PHIMTYICSA-N 1 2 249.314 1.168 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(C)cn2)C1 ZINC000595850428 348355783 /nfs/dbraw/zinc/35/57/83/348355783.db2.gz QXNCKOGVAUIDRA-PHIMTYICSA-N 1 2 249.314 1.168 20 0 BDADLO CC(C)SCC(=O)N(C)Cc1[nH+]ccn1C ZINC000603514781 349985821 /nfs/dbraw/zinc/98/58/21/349985821.db2.gz MSQCDGYRHSFUFC-UHFFFAOYSA-N 1 2 241.360 1.520 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2CC2)no1 ZINC000027880998 348361744 /nfs/dbraw/zinc/36/17/44/348361744.db2.gz VKURFLFLPOAIEQ-GFCCVEGCSA-N 1 2 249.314 1.399 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2CC2)no1 ZINC000027880998 348361750 /nfs/dbraw/zinc/36/17/50/348361750.db2.gz VKURFLFLPOAIEQ-GFCCVEGCSA-N 1 2 249.314 1.399 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC[C@@H](C)C2)c1 ZINC000596106883 348441012 /nfs/dbraw/zinc/44/10/12/348441012.db2.gz VWBKOEKPCAFSRS-SNVBAGLBSA-N 1 2 234.299 1.643 20 0 BDADLO Cc1cc[nH+]c(NCCCO)c1Cl ZINC000307530458 179442327 /nfs/dbraw/zinc/44/23/27/179442327.db2.gz VMIWOPHZGFWHLM-UHFFFAOYSA-N 1 2 200.669 1.838 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccccn1 ZINC000205350666 348495981 /nfs/dbraw/zinc/49/59/81/348495981.db2.gz VRYFTVMMOMETBC-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO CC[C@@H](C(=O)Nc1cc[nH+]cc1C)[C@H](C)O ZINC000419880068 192147946 /nfs/dbraw/zinc/14/79/46/192147946.db2.gz UDNNUDXDDALFMK-VHSXEESVSA-N 1 2 222.288 1.157 20 0 BDADLO CCO[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627374691 348667876 /nfs/dbraw/zinc/66/78/76/348667876.db2.gz AHGLPBCKAIGSCD-GFCCVEGCSA-N 1 2 249.314 1.110 20 0 BDADLO CCO[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627374691 348667878 /nfs/dbraw/zinc/66/78/78/348667878.db2.gz AHGLPBCKAIGSCD-GFCCVEGCSA-N 1 2 249.314 1.110 20 0 BDADLO COC(=O)c1ccc(CN(C)Cc2c[nH+]c[nH]2)[nH]1 ZINC000597171126 348668654 /nfs/dbraw/zinc/66/86/54/348668654.db2.gz BHMZUQADJZBEEN-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO CSC1(C[N@@H+]2CCc3n[nH]nc3C2)CC1 ZINC000597250056 348708365 /nfs/dbraw/zinc/70/83/65/348708365.db2.gz RPFNWYQVWHGRMR-UHFFFAOYSA-N 1 2 224.333 1.058 20 0 BDADLO CSC1(C[N@H+]2CCc3n[nH]nc3C2)CC1 ZINC000597250056 348708368 /nfs/dbraw/zinc/70/83/68/348708368.db2.gz RPFNWYQVWHGRMR-UHFFFAOYSA-N 1 2 224.333 1.058 20 0 BDADLO CS[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598459079 348976532 /nfs/dbraw/zinc/97/65/32/348976532.db2.gz DSCRURAQOLFEHJ-HTQZYQBOSA-N 1 2 227.333 1.349 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464970 348977908 /nfs/dbraw/zinc/97/79/08/348977908.db2.gz MNEGKTOXQXEJMQ-DTWKUNHWSA-N 1 2 241.360 1.739 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598951207 349071618 /nfs/dbraw/zinc/07/16/18/349071618.db2.gz YOFPEAHDSTWHEY-RKDXNWHRSA-N 1 2 239.344 1.066 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(C)o2)n(C)n1 ZINC000397910608 362938403 /nfs/dbraw/zinc/93/84/03/362938403.db2.gz HRAHFSGMXSKFDH-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO Cc1csc(C[NH2+]CC(=O)NC(C)(C)C)n1 ZINC000038091618 179774739 /nfs/dbraw/zinc/77/47/39/179774739.db2.gz LBMWUCMPVLBXGI-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO OCCCc1cn(-c2nc3ccccc3o2)c[nH+]1 ZINC000599426417 349185501 /nfs/dbraw/zinc/18/55/01/349185501.db2.gz SCOQJUPGPFRMSW-UHFFFAOYSA-N 1 2 243.266 1.938 20 0 BDADLO CCO[C@H](C[NH2+][C@@H](C(=O)OC)C(C)C)C1CC1 ZINC000599359781 349159125 /nfs/dbraw/zinc/15/91/25/349159125.db2.gz UQTQJFAYKWJYFB-VXGBXAGGSA-N 1 2 243.347 1.589 20 0 BDADLO COCCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599649277 349233491 /nfs/dbraw/zinc/23/34/91/349233491.db2.gz MASDLUCNZRMGHU-UHFFFAOYSA-N 1 2 231.336 1.733 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)NCc1c[nH+]c[nH]1 ZINC000599647861 349233532 /nfs/dbraw/zinc/23/35/32/349233532.db2.gz CQSMDANKUQFNPZ-UHFFFAOYSA-N 1 2 239.319 1.620 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)NCc1c[nH]c[nH+]1 ZINC000599647861 349233533 /nfs/dbraw/zinc/23/35/33/349233533.db2.gz CQSMDANKUQFNPZ-UHFFFAOYSA-N 1 2 239.319 1.620 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CC1(C)COC1 ZINC000599653294 349234430 /nfs/dbraw/zinc/23/44/30/349234430.db2.gz SSGGBSSWNCITEL-UHFFFAOYSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(NC[C@@H](CO)Cc2ccco2)nc[nH+]1 ZINC000599453560 349199145 /nfs/dbraw/zinc/19/91/45/349199145.db2.gz TVNBZISVTRZTIZ-NSHDSACASA-N 1 2 247.298 1.063 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC000600105360 349291731 /nfs/dbraw/zinc/29/17/31/349291731.db2.gz NBMVWQAXKIZFLU-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)o1 ZINC000600105360 349291732 /nfs/dbraw/zinc/29/17/32/349291732.db2.gz NBMVWQAXKIZFLU-JTQLQIEISA-N 1 2 224.260 1.120 20 0 BDADLO CCc1nnc(C[NH2+][C@H](C)c2ccccn2)[nH]1 ZINC000184654534 349273946 /nfs/dbraw/zinc/27/39/46/349273946.db2.gz KSDLDCATMBFFKD-SECBINFHSA-N 1 2 231.303 1.613 20 0 BDADLO CCCCc1nc(C[N@H+](CC)C[C@H](C)O)no1 ZINC000352200563 535095504 /nfs/dbraw/zinc/09/55/04/535095504.db2.gz AVWBLADZMBWZKP-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](CC)C[C@H](C)O)no1 ZINC000352200563 535095509 /nfs/dbraw/zinc/09/55/09/535095509.db2.gz AVWBLADZMBWZKP-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C)c1 ZINC000163754614 349372455 /nfs/dbraw/zinc/37/24/55/349372455.db2.gz XRWIACKXVRNAHY-CHWSQXEVSA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(C)c1 ZINC000163754614 349372458 /nfs/dbraw/zinc/37/24/58/349372458.db2.gz XRWIACKXVRNAHY-CHWSQXEVSA-N 1 2 249.310 1.103 20 0 BDADLO CCOC(=O)CCN(C)c1[nH+]cccc1OC ZINC000128679516 350021684 /nfs/dbraw/zinc/02/16/84/350021684.db2.gz GOHZKIYIUDWMPK-UHFFFAOYSA-N 1 2 238.287 1.480 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCC(=O)C2)c1 ZINC000051670303 350027472 /nfs/dbraw/zinc/02/74/72/350027472.db2.gz CCUDQODYXSBTEF-UHFFFAOYSA-N 1 2 203.285 1.812 20 0 BDADLO Cc1cccc(CC[N@H+]2CCC(=O)C2)c1 ZINC000051670303 350027477 /nfs/dbraw/zinc/02/74/77/350027477.db2.gz CCUDQODYXSBTEF-UHFFFAOYSA-N 1 2 203.285 1.812 20 0 BDADLO CCOCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603809255 350036552 /nfs/dbraw/zinc/03/65/52/350036552.db2.gz WTAMJGNPUXJQPP-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834410 350042191 /nfs/dbraw/zinc/04/21/91/350042191.db2.gz SMFJMSFKIRBKII-NSHDSACASA-N 1 2 249.314 1.137 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834410 350042192 /nfs/dbraw/zinc/04/21/92/350042192.db2.gz SMFJMSFKIRBKII-NSHDSACASA-N 1 2 249.314 1.137 20 0 BDADLO CC(C)SCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000348185178 535103917 /nfs/dbraw/zinc/10/39/17/535103917.db2.gz AJMCVYUFZMXDAL-OAHLLOKOSA-N 1 2 249.445 1.971 20 0 BDADLO CC(C)SCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000348185178 535103919 /nfs/dbraw/zinc/10/39/19/535103919.db2.gz AJMCVYUFZMXDAL-OAHLLOKOSA-N 1 2 249.445 1.971 20 0 BDADLO Cc1nc(NCc2cccc3[nH+]ccn32)nn1C ZINC000291923359 180020081 /nfs/dbraw/zinc/02/00/81/180020081.db2.gz NMLLOWIDEVBQFE-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCO[C@@H]2C)[nH+]1 ZINC000333308917 180023504 /nfs/dbraw/zinc/02/35/04/180023504.db2.gz UZXYAONKAWCETQ-GMSGAONNSA-N 1 2 232.287 1.856 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CCCCCO)no1 ZINC000352358861 180033828 /nfs/dbraw/zinc/03/38/28/180033828.db2.gz YYLVXZZKIRITNM-SECBINFHSA-N 1 2 227.308 1.533 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CCCCCO)no1 ZINC000352358861 180033830 /nfs/dbraw/zinc/03/38/30/180033830.db2.gz YYLVXZZKIRITNM-SECBINFHSA-N 1 2 227.308 1.533 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000284004626 180041040 /nfs/dbraw/zinc/04/10/40/180041040.db2.gz NKVVMRBJBROZQM-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000284004626 180041042 /nfs/dbraw/zinc/04/10/42/180041042.db2.gz NKVVMRBJBROZQM-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000284004626 180041043 /nfs/dbraw/zinc/04/10/43/180041043.db2.gz NKVVMRBJBROZQM-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000284004626 180041044 /nfs/dbraw/zinc/04/10/44/180041044.db2.gz NKVVMRBJBROZQM-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000284004626 180041046 /nfs/dbraw/zinc/04/10/46/180041046.db2.gz NKVVMRBJBROZQM-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000284004626 180041047 /nfs/dbraw/zinc/04/10/47/180041047.db2.gz NKVVMRBJBROZQM-SNVBAGLBSA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)no1 ZINC000308916045 180051429 /nfs/dbraw/zinc/05/14/29/180051429.db2.gz BFJJXQNZUZKMRS-ACLDMZEESA-N 1 2 227.333 1.780 20 0 BDADLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000284004623 180054037 /nfs/dbraw/zinc/05/40/37/180054037.db2.gz NKVVMRBJBROZQM-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000284004623 180054039 /nfs/dbraw/zinc/05/40/39/180054039.db2.gz NKVVMRBJBROZQM-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000284004623 180054041 /nfs/dbraw/zinc/05/40/41/180054041.db2.gz NKVVMRBJBROZQM-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000284004623 180054042 /nfs/dbraw/zinc/05/40/42/180054042.db2.gz NKVVMRBJBROZQM-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000284004623 180054044 /nfs/dbraw/zinc/05/40/44/180054044.db2.gz NKVVMRBJBROZQM-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n[nH]1 ZINC000284004623 180054046 /nfs/dbraw/zinc/05/40/46/180054046.db2.gz NKVVMRBJBROZQM-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nnc([C@H]2CCC[N@H+](Cc3cocn3)C2)[nH]1 ZINC000277966455 180055087 /nfs/dbraw/zinc/05/50/87/180055087.db2.gz JKBHTAJTXWOOSL-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cocn3)C2)[nH]1 ZINC000277966455 180055089 /nfs/dbraw/zinc/05/50/89/180055089.db2.gz JKBHTAJTXWOOSL-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cocn3)C2)n1 ZINC000277966455 180055094 /nfs/dbraw/zinc/05/50/94/180055094.db2.gz JKBHTAJTXWOOSL-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cocn3)C2)n1 ZINC000277966455 180055096 /nfs/dbraw/zinc/05/50/96/180055096.db2.gz JKBHTAJTXWOOSL-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](CO)C2CC2)[nH+]1 ZINC000357780758 180059969 /nfs/dbraw/zinc/05/99/69/180059969.db2.gz JSUSFFVMKRDGSS-SNVBAGLBSA-N 1 2 246.314 1.119 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N3CC(F)C3)cc2n1C ZINC000334143963 180088793 /nfs/dbraw/zinc/08/87/93/180088793.db2.gz GMUZXZUBHKQGON-UHFFFAOYSA-N 1 2 247.273 1.676 20 0 BDADLO Cc1nc(N[C@H]2CCOC2)c2c([nH+]1)CCCC2 ZINC000302109648 180070407 /nfs/dbraw/zinc/07/04/07/180070407.db2.gz TWGFOEQYCGLVNP-JTQLQIEISA-N 1 2 233.315 1.865 20 0 BDADLO CC[C@@](C)([NH2+]Cc1csc(C)n1)C(N)=O ZINC000133104293 191036296 /nfs/dbraw/zinc/03/62/96/191036296.db2.gz JEKZXIIFFFNEKM-SNVBAGLBSA-N 1 2 227.333 1.195 20 0 BDADLO Cc1nc(NCC[C@H](C)[S@@](C)=O)cc[nH+]1 ZINC000133127200 191038369 /nfs/dbraw/zinc/03/83/69/191038369.db2.gz RGEREZWMKWIIIT-AYVTZFPOSA-N 1 2 227.333 1.354 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2CCOCC2)c[nH+]1 ZINC000339224422 180129758 /nfs/dbraw/zinc/12/97/58/180129758.db2.gz SVPDQRXAUQUBKJ-UHFFFAOYSA-N 1 2 237.303 1.265 20 0 BDADLO Cc1ncc(C(=O)NCc2[nH]c[nH+]c2C)s1 ZINC000266978718 180132396 /nfs/dbraw/zinc/13/23/96/180132396.db2.gz OYFHDSHZHMBUMY-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c[nH+]1 ZINC000333088780 180133319 /nfs/dbraw/zinc/13/33/19/180133319.db2.gz SDSGLCSLWFVQEW-NGZCFLSTSA-N 1 2 235.287 1.015 20 0 BDADLO CC(C)=CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637083664 350178386 /nfs/dbraw/zinc/17/83/86/350178386.db2.gz NFFHVMTVZYMXTO-JTQLQIEISA-N 1 2 234.303 1.073 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000339102305 180142581 /nfs/dbraw/zinc/14/25/81/180142581.db2.gz WCNJENMRSDBODP-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000339102305 180142583 /nfs/dbraw/zinc/14/25/83/180142583.db2.gz WCNJENMRSDBODP-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000334786722 180118752 /nfs/dbraw/zinc/11/87/52/180118752.db2.gz FWWMHCRFBDULIR-MRVPVSSYSA-N 1 2 243.257 1.770 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccoc1 ZINC000356746406 180118865 /nfs/dbraw/zinc/11/88/65/180118865.db2.gz ZBCRMQHTIVEVAN-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(F)cn1 ZINC000336123826 180118924 /nfs/dbraw/zinc/11/89/24/180118924.db2.gz SPCSIEAUTHJOJJ-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[C@H]1F ZINC000335653196 180119411 /nfs/dbraw/zinc/11/94/11/180119411.db2.gz XKAJWTIEXVKLGN-PSASIEDQSA-N 1 2 211.240 1.082 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(O)c1 ZINC000346296691 180119654 /nfs/dbraw/zinc/11/96/54/180119654.db2.gz DNOYTIRJBUYFTC-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(O)c1 ZINC000346296691 180119658 /nfs/dbraw/zinc/11/96/58/180119658.db2.gz DNOYTIRJBUYFTC-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO CC1(CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000637104783 350200360 /nfs/dbraw/zinc/20/03/60/350200360.db2.gz VGCVVFAGRJUKSL-JTQLQIEISA-N 1 2 248.330 1.297 20 0 BDADLO Cc1ncc(CNc2ccc(CO)c[nH+]2)s1 ZINC000291635288 180161009 /nfs/dbraw/zinc/16/10/09/180161009.db2.gz SRRLYWJVTLABDS-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)s1 ZINC000191781573 180144848 /nfs/dbraw/zinc/14/48/48/180144848.db2.gz AXMHCKRRDWVIPZ-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)s1 ZINC000191781573 180144850 /nfs/dbraw/zinc/14/48/50/180144850.db2.gz AXMHCKRRDWVIPZ-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1nnc(CNc2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000604757078 350187192 /nfs/dbraw/zinc/18/71/92/350187192.db2.gz SBVUKXMJNZUGOK-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO Cc1nc(N2CC[S@@](=O)CC[C@@H]2C)cc[nH+]1 ZINC000369351150 180194064 /nfs/dbraw/zinc/19/40/64/180194064.db2.gz ZYKQCPIKGQUXOK-FVMDXXJSSA-N 1 2 239.344 1.132 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H](O)CCC(C)C)C(=O)OC ZINC000428293027 191077675 /nfs/dbraw/zinc/07/76/75/191077675.db2.gz FCTXMGBPBIOBHP-DGCLKSJQSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1nc(NCC[C@@H](C)CCO)cc[nH+]1 ZINC000294839481 180198062 /nfs/dbraw/zinc/19/80/62/180198062.db2.gz AYYBLUBOKGQOHJ-SECBINFHSA-N 1 2 209.293 1.606 20 0 BDADLO Cc1nc(NCCC(C)(C)CO)cc[nH+]1 ZINC000294860244 180198662 /nfs/dbraw/zinc/19/86/62/180198662.db2.gz CCJMIBSUDISYCH-UHFFFAOYSA-N 1 2 209.293 1.606 20 0 BDADLO Cc1nc(NCc2nnc(C(C)C)[nH]2)cc[nH+]1 ZINC000295046015 180202230 /nfs/dbraw/zinc/20/22/30/180202230.db2.gz XDVILDWIPPGTDG-UHFFFAOYSA-N 1 2 232.291 1.639 20 0 BDADLO Cc1nc(NCc2ccccn2)cc[nH+]1 ZINC000054935740 180202324 /nfs/dbraw/zinc/20/23/24/180202324.db2.gz ZBZVXDDSAJFPPW-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1nn(C)cc1CNc1cc[nH+]c(C)n1 ZINC000167924801 180202848 /nfs/dbraw/zinc/20/28/48/180202848.db2.gz FAVSJPQNCARBGE-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1nc(NCc2ncnn2C(C)(C)C)cc[nH+]1 ZINC000283593263 180204097 /nfs/dbraw/zinc/20/40/97/180204097.db2.gz SFVKZCZJFNVRRX-UHFFFAOYSA-N 1 2 246.318 1.744 20 0 BDADLO Cc1nc(N[C@H]2CCCOCC2)cc[nH+]1 ZINC000271903573 180204863 /nfs/dbraw/zinc/20/48/63/180204863.db2.gz QTYGQOBEVORDMC-JTQLQIEISA-N 1 2 207.277 1.766 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H](CO)C2)cc[nH+]1 ZINC000298634589 180205038 /nfs/dbraw/zinc/20/50/38/180205038.db2.gz QVAMJYCUXKSDTG-QWRGUYRKSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@H]2CC(=O)N(C(C)C)C2)cc[nH+]1 ZINC000266168977 180205701 /nfs/dbraw/zinc/20/57/01/180205701.db2.gz YNYKUOHEJVAFLI-JTQLQIEISA-N 1 2 234.303 1.206 20 0 BDADLO Cc1nc(N[C@H](C(N)=O)c2ccccc2)cc[nH+]1 ZINC000360226335 180206184 /nfs/dbraw/zinc/20/61/84/180206184.db2.gz WMLZZPOBFITVPW-LBPRGKRZSA-N 1 2 242.282 1.424 20 0 BDADLO Cc1nc(NC[C@H](C)Cn2cccn2)cc[nH+]1 ZINC000360223817 180181259 /nfs/dbraw/zinc/18/12/59/180181259.db2.gz BKXAIRSWWSYLAL-JTQLQIEISA-N 1 2 231.303 1.152 20 0 BDADLO Cc1nc(NC[C@H](CO)CC2CCCC2)cc[nH+]1 ZINC000359296837 180181949 /nfs/dbraw/zinc/18/19/49/180181949.db2.gz ILTWEGCJHPJPCD-CYBMUJFWSA-N 1 2 249.358 1.808 20 0 BDADLO Cc1nc(NC[C@@H](C)Cn2cccn2)cc[nH+]1 ZINC000360223818 180182053 /nfs/dbraw/zinc/18/20/53/180182053.db2.gz BKXAIRSWWSYLAL-SNVBAGLBSA-N 1 2 231.303 1.152 20 0 BDADLO Cc1nccc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)n1 ZINC000352774718 180182685 /nfs/dbraw/zinc/18/26/85/180182685.db2.gz QURNJJYJFSJOCO-JTQLQIEISA-N 1 2 245.330 1.712 20 0 BDADLO Cc1nccc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)n1 ZINC000352774718 180182687 /nfs/dbraw/zinc/18/26/87/180182687.db2.gz QURNJJYJFSJOCO-JTQLQIEISA-N 1 2 245.330 1.712 20 0 BDADLO Cc1nccc(C[N@H+](C)C[C@H](O)C(F)(F)F)n1 ZINC000353521603 180184290 /nfs/dbraw/zinc/18/42/90/180184290.db2.gz QLTDAILHCVFVKY-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO Cc1nccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)n1 ZINC000353521603 180184292 /nfs/dbraw/zinc/18/42/92/180184292.db2.gz QLTDAILHCVFVKY-VIFPVBQESA-N 1 2 249.236 1.140 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000247286237 538081727 /nfs/dbraw/zinc/08/17/27/538081727.db2.gz KNWIOIRRYJATHD-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000247286237 538081736 /nfs/dbraw/zinc/08/17/36/538081736.db2.gz KNWIOIRRYJATHD-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO FC(F)(F)Cn1cc(C[NH+]2CCOCC2)cn1 ZINC000435235762 538087850 /nfs/dbraw/zinc/08/78/50/538087850.db2.gz ONLYUJVLZNUNAB-UHFFFAOYSA-N 1 2 249.236 1.278 20 0 BDADLO CCc1cc(N[C@@H]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000606155622 350280283 /nfs/dbraw/zinc/28/02/83/350280283.db2.gz KVQHPSZVCSGAOW-GXSJLCMTSA-N 1 2 248.330 1.495 20 0 BDADLO Cc1nccnc1NCc1ccc(N(C)C)[nH+]c1 ZINC000290596228 180278365 /nfs/dbraw/zinc/27/83/65/180278365.db2.gz YEDHFYAKWXVHCC-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Oc1cccnc1C[NH+]1CC(C(F)(F)F)C1 ZINC000565155755 323323521 /nfs/dbraw/zinc/32/35/21/323323521.db2.gz FYUQHWNAXURIFY-UHFFFAOYSA-N 1 2 232.205 1.781 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@H](O)C1CC1 ZINC000079770001 490463414 /nfs/dbraw/zinc/46/34/14/490463414.db2.gz MTUIIKPFWPBZJC-JTQLQIEISA-N 1 2 212.318 1.346 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@H](O)C1CC1 ZINC000079770001 490463419 /nfs/dbraw/zinc/46/34/19/490463419.db2.gz MTUIIKPFWPBZJC-JTQLQIEISA-N 1 2 212.318 1.346 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000617205095 350348874 /nfs/dbraw/zinc/34/88/74/350348874.db2.gz VUUFBEHXBRWFJK-SUNKGSAMSA-N 1 2 245.326 1.504 20 0 BDADLO CC[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000637277774 350387835 /nfs/dbraw/zinc/38/78/35/350387835.db2.gz CICWUQPOMABWRB-PWSUYJOCSA-N 1 2 248.330 1.296 20 0 BDADLO CC1CC(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637293002 350407941 /nfs/dbraw/zinc/40/79/41/350407941.db2.gz IHTUQVGUNVZGDA-ILDUYXDCSA-N 1 2 248.330 1.153 20 0 BDADLO Cc1nn(C)c(NC(=O)CCn2cc[nH+]c2)c1C ZINC000330660685 180356735 /nfs/dbraw/zinc/35/67/35/180356735.db2.gz URDUWEAAHFPCPM-UHFFFAOYSA-N 1 2 247.302 1.262 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000336691735 350448445 /nfs/dbraw/zinc/44/84/45/350448445.db2.gz BZJRXPHRAAGHRO-SECBINFHSA-N 1 2 240.376 1.979 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cc1nsc(N(C)C)n1 ZINC000336691735 350448449 /nfs/dbraw/zinc/44/84/49/350448449.db2.gz BZJRXPHRAAGHRO-SECBINFHSA-N 1 2 240.376 1.979 20 0 BDADLO CC[N@@H+](Cc1nccc(C)n1)C[C@@H]1CCCO1 ZINC000336706692 350459130 /nfs/dbraw/zinc/45/91/30/350459130.db2.gz ODUHFPUBFVBGQU-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CC[N@H+](Cc1nccc(C)n1)C[C@@H]1CCCO1 ZINC000336706692 350459133 /nfs/dbraw/zinc/45/91/33/350459133.db2.gz ODUHFPUBFVBGQU-LBPRGKRZSA-N 1 2 235.331 1.786 20 0 BDADLO CC[N@H+](Cc1nsc(N(C)C)n1)C1CCC1 ZINC000336709126 350461195 /nfs/dbraw/zinc/46/11/95/350461195.db2.gz VUJKYPQTVIDSIR-UHFFFAOYSA-N 1 2 240.376 1.979 20 0 BDADLO CC[N@@H+](Cc1nsc(N(C)C)n1)C1CCC1 ZINC000336709126 350461200 /nfs/dbraw/zinc/46/12/00/350461200.db2.gz VUJKYPQTVIDSIR-UHFFFAOYSA-N 1 2 240.376 1.979 20 0 BDADLO CC[N@H+](Cc1nccn1C)[C@@H]1CCOC1 ZINC000336715270 350468279 /nfs/dbraw/zinc/46/82/79/350468279.db2.gz WMGPPSGEYXYSJL-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CC[N@@H+](Cc1nccn1C)[C@@H]1CCOC1 ZINC000336715270 350468281 /nfs/dbraw/zinc/46/82/81/350468281.db2.gz WMGPPSGEYXYSJL-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO O=C(NCC1CC=CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637361716 350485050 /nfs/dbraw/zinc/48/50/50/350485050.db2.gz NICGAOBMPLYIPC-NSHDSACASA-N 1 2 246.314 1.073 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)CC(C)C)[nH+]1 ZINC000443880073 191109987 /nfs/dbraw/zinc/10/99/87/191109987.db2.gz PKRUCOSXLRBSMZ-SECBINFHSA-N 1 2 237.351 1.514 20 0 BDADLO Cc1nc(N[C@H](C)CC(C)C)nc(N(C)C)[nH+]1 ZINC000443880073 191109988 /nfs/dbraw/zinc/10/99/88/191109988.db2.gz PKRUCOSXLRBSMZ-SECBINFHSA-N 1 2 237.351 1.514 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)C[C@@H](C)O ZINC000577527876 365980988 /nfs/dbraw/zinc/98/09/88/365980988.db2.gz CUBJRBLJLWYKLV-RKDXNWHRSA-N 1 2 209.293 1.087 20 0 BDADLO C[C@H]([NH2+]CCOC1CCC1)c1ncn(C)n1 ZINC000309503906 350679842 /nfs/dbraw/zinc/67/98/42/350679842.db2.gz VJDONMNEIZZZPM-VIFPVBQESA-N 1 2 224.308 1.035 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)(C)C)[C@H](C)CO ZINC000339620620 350768318 /nfs/dbraw/zinc/76/83/18/350768318.db2.gz AXFFEPNBDHHBOZ-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)(C)C)[C@H](C)CO ZINC000339620620 350768323 /nfs/dbraw/zinc/76/83/23/350768323.db2.gz AXFFEPNBDHHBOZ-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@H](C)CO ZINC000339625728 350768670 /nfs/dbraw/zinc/76/86/70/350768670.db2.gz BHLOIMHPDYLQPS-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)(C)C)no1)[C@H](C)CO ZINC000339625728 350768671 /nfs/dbraw/zinc/76/86/71/350768671.db2.gz BHLOIMHPDYLQPS-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C1CC1)[C@@H](C)CO ZINC000339629463 350769638 /nfs/dbraw/zinc/76/96/38/350769638.db2.gz IZAHFVRIGPXPJJ-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C1CC1)[C@@H](C)CO ZINC000339629463 350769640 /nfs/dbraw/zinc/76/96/40/350769640.db2.gz IZAHFVRIGPXPJJ-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)[C@H](C)CO ZINC000339631312 350770817 /nfs/dbraw/zinc/77/08/17/350770817.db2.gz VDNRMFYECBUZQL-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)[C@H](C)CO ZINC000339631312 350770820 /nfs/dbraw/zinc/77/08/20/350770820.db2.gz VDNRMFYECBUZQL-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO Cc1nc(C)c(C[NH2+][C@H](C)c2ccn(C)n2)o1 ZINC000628309098 350785510 /nfs/dbraw/zinc/78/55/10/350785510.db2.gz ACIHBRQHIYKJHP-MRVPVSSYSA-N 1 2 234.303 1.876 20 0 BDADLO CCCCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607058504 350810699 /nfs/dbraw/zinc/81/06/99/350810699.db2.gz GHCJCLBALUUVBE-UHFFFAOYSA-N 1 2 231.303 1.899 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccncc1C ZINC000397549114 350913712 /nfs/dbraw/zinc/91/37/12/350913712.db2.gz ZKVKPWYUZUPNEC-UHFFFAOYSA-N 1 2 222.288 1.037 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccncc1C ZINC000397549114 350913714 /nfs/dbraw/zinc/91/37/14/350913714.db2.gz ZKVKPWYUZUPNEC-UHFFFAOYSA-N 1 2 222.288 1.037 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)CCC(C)C ZINC000052245593 350976382 /nfs/dbraw/zinc/97/63/82/350976382.db2.gz CDGJMCUOVHSNNA-UHFFFAOYSA-N 1 2 239.367 1.951 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)CCC(C)C ZINC000052245593 350976384 /nfs/dbraw/zinc/97/63/84/350976384.db2.gz CDGJMCUOVHSNNA-UHFFFAOYSA-N 1 2 239.367 1.951 20 0 BDADLO Cn1nc(C[NH2+]Cc2cocn2)c2ccccc21 ZINC000397932223 350985327 /nfs/dbraw/zinc/98/53/27/350985327.db2.gz MRXJTMMPOWFZAI-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cc1ncc(C[NH2+]CC(=O)NC2CCCC2)o1 ZINC000398062257 362997396 /nfs/dbraw/zinc/99/73/96/362997396.db2.gz KOHMNUSYOKFSKB-UHFFFAOYSA-N 1 2 237.303 1.131 20 0 BDADLO CC(C)Oc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398330103 351036985 /nfs/dbraw/zinc/03/69/85/351036985.db2.gz HOAOFMOBDKHMSC-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC(C)Oc1ccc(C[NH2+]Cc2c[nH]nn2)cc1 ZINC000398330103 351036986 /nfs/dbraw/zinc/03/69/86/351036986.db2.gz HOAOFMOBDKHMSC-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC(C)C(C[NH2+]Cc1c[nH]nn1)C(C)C ZINC000398333219 351037262 /nfs/dbraw/zinc/03/72/62/351037262.db2.gz JFNMDDXUFUOCNJ-UHFFFAOYSA-N 1 2 210.325 1.823 20 0 BDADLO CC(C)C(C[NH2+]Cc1cn[nH]n1)C(C)C ZINC000398333219 351037265 /nfs/dbraw/zinc/03/72/65/351037265.db2.gz JFNMDDXUFUOCNJ-UHFFFAOYSA-N 1 2 210.325 1.823 20 0 BDADLO C[C@H]1C[C@@H](NCC(F)F)c2[nH+]ccn21 ZINC000306808839 351062879 /nfs/dbraw/zinc/06/28/79/351062879.db2.gz QDTDORZZQUXOSR-NKWVEPMBSA-N 1 2 201.220 1.744 20 0 BDADLO COc1ccc([C@H]2C[N@H+](CCO)CCO2)cc1 ZINC000616645824 351168931 /nfs/dbraw/zinc/16/89/31/351168931.db2.gz UHPFDPBXNSTVEY-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO COc1ccc([C@H]2C[N@@H+](CCO)CCO2)cc1 ZINC000616645824 351168934 /nfs/dbraw/zinc/16/89/34/351168934.db2.gz UHPFDPBXNSTVEY-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)[C@H](C)CO1 ZINC000628324428 351236687 /nfs/dbraw/zinc/23/66/87/351236687.db2.gz SQIYLXCCOOFWBA-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CCCCc1cc(NC[C@@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000631239787 351281681 /nfs/dbraw/zinc/28/16/81/351281681.db2.gz BTBRVRNYCDUXJL-YPMHNXCESA-N 1 2 249.358 1.814 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2nc(C)no2)[nH+]1 ZINC000628328742 351267071 /nfs/dbraw/zinc/26/70/71/351267071.db2.gz UPLKRSKOVMMBRO-UHFFFAOYSA-N 1 2 221.264 1.042 20 0 BDADLO COc1cccc(N2CC[NH+](CC(C)=O)CC2)c1 ZINC000034989992 351376374 /nfs/dbraw/zinc/37/63/74/351376374.db2.gz JNJNARUMGQOXEI-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ccno2)o1 ZINC000231883543 351435587 /nfs/dbraw/zinc/43/55/87/351435587.db2.gz IOTUVOMPWALNBD-UHFFFAOYSA-N 1 2 236.227 1.344 20 0 BDADLO CCN1CC[N@H+](Cc2ccccc2OC)CC1=O ZINC000273459230 351530835 /nfs/dbraw/zinc/53/08/35/351530835.db2.gz HIQBXCDZGXZBJM-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO CCN1CC[N@@H+](Cc2ccccc2OC)CC1=O ZINC000273459230 351530840 /nfs/dbraw/zinc/53/08/40/351530840.db2.gz HIQBXCDZGXZBJM-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3nncc3C2)s1 ZINC000577650556 366032997 /nfs/dbraw/zinc/03/29/97/366032997.db2.gz YBROKPWMOCMLQR-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3nncc3C2)s1 ZINC000577650556 366033004 /nfs/dbraw/zinc/03/30/04/366033004.db2.gz YBROKPWMOCMLQR-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO C[C@@H]1C[N@H+]([C@H](c2nccn2C)C2CC2)C[C@H](C)O1 ZINC000637815769 351654873 /nfs/dbraw/zinc/65/48/73/351654873.db2.gz WCWSFUXUWSVOKI-LOWVWBTDSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H](c2nccn2C)C2CC2)C[C@H](C)O1 ZINC000637815769 351654876 /nfs/dbraw/zinc/65/48/76/351654876.db2.gz WCWSFUXUWSVOKI-LOWVWBTDSA-N 1 2 249.358 1.980 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637830688 351680020 /nfs/dbraw/zinc/68/00/20/351680020.db2.gz ZRSXZMFAKZEGTL-JTQLQIEISA-N 1 2 237.303 1.230 20 0 BDADLO CC[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279111460 351797503 /nfs/dbraw/zinc/79/75/03/351797503.db2.gz BZGUJWDGCRCKIY-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637888910 351760414 /nfs/dbraw/zinc/76/04/14/351760414.db2.gz JWSYSZWRXTYBDL-OLZOCXBDSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637888910 351760418 /nfs/dbraw/zinc/76/04/18/351760418.db2.gz JWSYSZWRXTYBDL-OLZOCXBDSA-N 1 2 249.358 1.982 20 0 BDADLO COc1ncc(C[N@@H+]2CCOC(C)(C)C2)s1 ZINC000637944737 351820019 /nfs/dbraw/zinc/82/00/19/351820019.db2.gz NGAOGAMQDJRXTL-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO COc1ncc(C[N@H+]2CCOC(C)(C)C2)s1 ZINC000637944737 351820021 /nfs/dbraw/zinc/82/00/21/351820021.db2.gz NGAOGAMQDJRXTL-UHFFFAOYSA-N 1 2 242.344 1.763 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(=O)[nH]c1 ZINC000638065599 351937043 /nfs/dbraw/zinc/93/70/43/351937043.db2.gz VKVLGAPTDCPZBD-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(=O)[nH]c1 ZINC000638065599 351937044 /nfs/dbraw/zinc/93/70/44/351937044.db2.gz VKVLGAPTDCPZBD-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccns2)[C@@H]1C ZINC000638084795 351962739 /nfs/dbraw/zinc/96/27/39/351962739.db2.gz MUGDMOYAZQNPTN-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccns2)[C@@H]1C ZINC000638084795 351962742 /nfs/dbraw/zinc/96/27/42/351962742.db2.gz MUGDMOYAZQNPTN-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)sn1 ZINC000638115193 351990570 /nfs/dbraw/zinc/99/05/70/351990570.db2.gz BGTSRMYEINRQRB-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2C2CC2)sn1 ZINC000638115193 351990572 /nfs/dbraw/zinc/99/05/72/351990572.db2.gz BGTSRMYEINRQRB-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO CSCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426202638 191145588 /nfs/dbraw/zinc/14/55/88/191145588.db2.gz WBNUKIHAIDSOQN-LLVKDONJSA-N 1 2 244.404 1.538 20 0 BDADLO CSCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426202638 191145591 /nfs/dbraw/zinc/14/55/91/191145591.db2.gz WBNUKIHAIDSOQN-LLVKDONJSA-N 1 2 244.404 1.538 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000286433448 352089007 /nfs/dbraw/zinc/08/90/07/352089007.db2.gz IHAMLQRZHZXZLI-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO CC(C)c1csc([C@@H]2COCC[NH2+]2)n1 ZINC000083988514 352202399 /nfs/dbraw/zinc/20/23/99/352202399.db2.gz KKQAORYDVHNOGY-QMMMGPOBSA-N 1 2 212.318 1.927 20 0 BDADLO CN(CC(C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC000073286335 352212308 /nfs/dbraw/zinc/21/23/08/352212308.db2.gz CAFUDEIIAFQBNL-UHFFFAOYSA-N 1 2 209.293 1.388 20 0 BDADLO C[N@H+](CCC1(O)CCC1)CC(=O)OC(C)(C)C ZINC000411231204 191171290 /nfs/dbraw/zinc/17/12/90/191171290.db2.gz SWKRNKOEJOCNPV-UHFFFAOYSA-N 1 2 243.347 1.565 20 0 BDADLO C[N@@H+](CCC1(O)CCC1)CC(=O)OC(C)(C)C ZINC000411231204 191171292 /nfs/dbraw/zinc/17/12/92/191171292.db2.gz SWKRNKOEJOCNPV-UHFFFAOYSA-N 1 2 243.347 1.565 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411229232 191170361 /nfs/dbraw/zinc/17/03/61/191170361.db2.gz SVKYYUVJHYVCCJ-QMMMGPOBSA-N 1 2 240.307 1.059 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411229232 191170363 /nfs/dbraw/zinc/17/03/63/191170363.db2.gz SVKYYUVJHYVCCJ-QMMMGPOBSA-N 1 2 240.307 1.059 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000411232324 191172133 /nfs/dbraw/zinc/17/21/33/191172133.db2.gz SPAHSJOFFVRMLM-SECBINFHSA-N 1 2 229.320 1.485 20 0 BDADLO CCOCC[N@H+](CC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411267267 191173635 /nfs/dbraw/zinc/17/36/35/191173635.db2.gz BQLBUWBKUXXGGP-VIFPVBQESA-N 1 2 226.324 1.533 20 0 BDADLO CCOCC[N@@H+](CC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411267267 191173637 /nfs/dbraw/zinc/17/36/37/191173637.db2.gz BQLBUWBKUXXGGP-VIFPVBQESA-N 1 2 226.324 1.533 20 0 BDADLO CCN(CC[NH3+])C(=O)c1cc(F)c(O)c(F)c1 ZINC000638518543 352350683 /nfs/dbraw/zinc/35/06/83/352350683.db2.gz OXKGNRFBFFAZFJ-UHFFFAOYSA-N 1 2 244.241 1.091 20 0 BDADLO CCc1nc(C)c(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000293794210 352361255 /nfs/dbraw/zinc/36/12/55/352361255.db2.gz QSAHMTCGRWXWLM-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CC(C)[C@@H]([NH2+]CC[C@H](C)O)C(=O)OC(C)(C)C ZINC000411476474 191188271 /nfs/dbraw/zinc/18/82/71/191188271.db2.gz GRSYNVUCLRUZQN-WDEREUQCSA-N 1 2 245.363 1.713 20 0 BDADLO CC(C)[C@H]([NH2+]CC[C@@H](C)O)C(=O)OC(C)(C)C ZINC000411517760 191191389 /nfs/dbraw/zinc/19/13/89/191191389.db2.gz GRSYNVUCLRUZQN-MNOVXSKESA-N 1 2 245.363 1.713 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)c(C)c1 ZINC000411613708 191196887 /nfs/dbraw/zinc/19/68/87/191196887.db2.gz CWSXPYSZQKIMPR-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)c(C)c1 ZINC000411613708 191196890 /nfs/dbraw/zinc/19/68/90/191196890.db2.gz CWSXPYSZQKIMPR-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]CCC(=O)OC)no1 ZINC000411693681 191203881 /nfs/dbraw/zinc/20/38/81/191203881.db2.gz MCROPMNKJRBVFN-UHFFFAOYSA-N 1 2 241.291 1.020 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411718432 191206064 /nfs/dbraw/zinc/20/60/64/191206064.db2.gz CFSWXMPKSYTZSC-HTQZYQBOSA-N 1 2 212.297 1.141 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411718432 191206067 /nfs/dbraw/zinc/20/60/67/191206067.db2.gz CFSWXMPKSYTZSC-HTQZYQBOSA-N 1 2 212.297 1.141 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411538036 191192325 /nfs/dbraw/zinc/19/23/25/191192325.db2.gz SUNZBVIGVXZJRA-GHMZBOCLSA-N 1 2 243.347 1.469 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC1(Cl)Cl ZINC000264260601 180745514 /nfs/dbraw/zinc/74/55/14/180745514.db2.gz CYIAWAYDMCXZJX-ZCFIWIBFSA-N 1 2 248.113 1.230 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000374352145 180755452 /nfs/dbraw/zinc/75/54/52/180755452.db2.gz OJRAJJPIYCLSLY-SNVBAGLBSA-N 1 2 219.288 1.146 20 0 BDADLO CC(C)CN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000298310056 352499182 /nfs/dbraw/zinc/49/91/82/352499182.db2.gz KWFVAROAUTTWMO-UHFFFAOYSA-N 1 2 245.326 1.991 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000411839390 191215234 /nfs/dbraw/zinc/21/52/34/191215234.db2.gz IXKCWAKVDQPHDL-CYBMUJFWSA-N 1 2 239.290 1.866 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000411839390 191215236 /nfs/dbraw/zinc/21/52/36/191215236.db2.gz IXKCWAKVDQPHDL-CYBMUJFWSA-N 1 2 239.290 1.866 20 0 BDADLO COC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC000086702780 352520377 /nfs/dbraw/zinc/52/03/77/352520377.db2.gz HIEZGHDJISIDDT-JTQLQIEISA-N 1 2 249.318 1.446 20 0 BDADLO CC(C)(C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000029864390 352671412 /nfs/dbraw/zinc/67/14/12/352671412.db2.gz HQJWDMVGPRJTJU-UHFFFAOYSA-N 1 2 231.299 1.792 20 0 BDADLO Cn1cncc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329656449 180779429 /nfs/dbraw/zinc/77/94/29/180779429.db2.gz GGZYGHLHFZNSPP-VIFPVBQESA-N 1 2 245.286 1.121 20 0 BDADLO COC1([C@H](C)[NH2+]Cc2ccn[nH]2)CCC1 ZINC000412028225 191239028 /nfs/dbraw/zinc/23/90/28/191239028.db2.gz WRYFAOWXGFPPEQ-VIFPVBQESA-N 1 2 209.293 1.457 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc[nH]n1 ZINC000334186278 352775608 /nfs/dbraw/zinc/77/56/08/352775608.db2.gz FSMXMIHZZBXFKM-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc[nH]n1 ZINC000334186278 352775609 /nfs/dbraw/zinc/77/56/09/352775609.db2.gz FSMXMIHZZBXFKM-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO Cc1c[nH+]cc(N[C@@H]2CCCNC(=O)C2)c1 ZINC000638787565 352743325 /nfs/dbraw/zinc/74/33/25/352743325.db2.gz QMMTXNUTDVLNRO-SNVBAGLBSA-N 1 2 219.288 1.471 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000334181819 352770003 /nfs/dbraw/zinc/77/00/03/352770003.db2.gz BRANYJLFTKSUGC-STQMWFEESA-N 1 2 235.331 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000334181819 352770007 /nfs/dbraw/zinc/77/00/07/352770007.db2.gz BRANYJLFTKSUGC-STQMWFEESA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000334220973 352823471 /nfs/dbraw/zinc/82/34/71/352823471.db2.gz WBVCALQXAPTHCY-RKDXNWHRSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000334220973 352823475 /nfs/dbraw/zinc/82/34/75/352823475.db2.gz WBVCALQXAPTHCY-RKDXNWHRSA-N 1 2 207.277 1.462 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000334189931 352780398 /nfs/dbraw/zinc/78/03/98/352780398.db2.gz MEYCGMZTPYFNEF-TXEJJXNPSA-N 1 2 204.273 1.445 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000334189931 352780402 /nfs/dbraw/zinc/78/04/02/352780402.db2.gz MEYCGMZTPYFNEF-TXEJJXNPSA-N 1 2 204.273 1.445 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000334204105 352798548 /nfs/dbraw/zinc/79/85/48/352798548.db2.gz RTZYCZYTWAGVGY-SNVBAGLBSA-N 1 2 245.282 1.643 20 0 BDADLO CC1(O)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000334238433 352857260 /nfs/dbraw/zinc/85/72/60/352857260.db2.gz JSODRYRURKVXHX-UHFFFAOYSA-N 1 2 236.315 1.899 20 0 BDADLO COC(=O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412091457 191256504 /nfs/dbraw/zinc/25/65/04/191256504.db2.gz ZTLPPQJHOUTSPX-ZJUUUORDSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC000412065121 191257224 /nfs/dbraw/zinc/25/72/24/191257224.db2.gz FOCQMZRZDPFYQS-SYFOGONKSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC000412065121 191257226 /nfs/dbraw/zinc/25/72/26/191257226.db2.gz FOCQMZRZDPFYQS-SYFOGONKSA-N 1 2 247.338 1.781 20 0 BDADLO CSCCCN(C)Cc1[nH+]cc(C)n1C ZINC000342854749 352876451 /nfs/dbraw/zinc/87/64/51/352876451.db2.gz SVQFTNMHCZEFGE-UHFFFAOYSA-N 1 2 227.377 1.913 20 0 BDADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nn1 ZINC000334247135 352837918 /nfs/dbraw/zinc/83/79/18/352837918.db2.gz KAFDRTGKDGRGDO-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)nn1 ZINC000334247135 352837919 /nfs/dbraw/zinc/83/79/19/352837919.db2.gz KAFDRTGKDGRGDO-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO Cc1nc(N2CC(F)(F)C(F)(F)C2)cc[nH+]1 ZINC000334250820 352887220 /nfs/dbraw/zinc/88/72/20/352887220.db2.gz ZGNHFQUEOYQLIM-UHFFFAOYSA-N 1 2 235.184 1.876 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC000334302603 352938745 /nfs/dbraw/zinc/93/87/45/352938745.db2.gz FIIOTWMUPSRGLG-LBPRGKRZSA-N 1 2 247.342 1.926 20 0 BDADLO Cc1ncsc1CN1CCn2cc[nH+]c2C1 ZINC000334309663 352941951 /nfs/dbraw/zinc/94/19/51/352941951.db2.gz JZFZGQPFPLTRAR-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CCc1nocc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334314383 352945431 /nfs/dbraw/zinc/94/54/31/352945431.db2.gz PEHXKPWJYLHGFF-PHIMTYICSA-N 1 2 222.288 1.600 20 0 BDADLO CCc1nocc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334314383 352945434 /nfs/dbraw/zinc/94/54/34/352945434.db2.gz PEHXKPWJYLHGFF-PHIMTYICSA-N 1 2 222.288 1.600 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000334319619 352950459 /nfs/dbraw/zinc/95/04/59/352950459.db2.gz UQBBHJBSGWEPHL-UONOGXRCSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000334328837 352965718 /nfs/dbraw/zinc/96/57/18/352965718.db2.gz NFTYQXVMPPHIKQ-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000334328837 352965720 /nfs/dbraw/zinc/96/57/20/352965720.db2.gz NFTYQXVMPPHIKQ-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO COc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000638844340 353020318 /nfs/dbraw/zinc/02/03/18/353020318.db2.gz HPUNMGTWWNKETA-DTORHVGOSA-N 1 2 242.344 1.761 20 0 BDADLO COc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000638844340 353020323 /nfs/dbraw/zinc/02/03/23/353020323.db2.gz HPUNMGTWWNKETA-DTORHVGOSA-N 1 2 242.344 1.761 20 0 BDADLO C[C@@H](C(=O)N(C)C1CCCC1)[NH+]1CCOCC1 ZINC000334362195 353014142 /nfs/dbraw/zinc/01/41/42/353014142.db2.gz KDVBPKCILMTRLK-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)nc1 ZINC000334392346 353064399 /nfs/dbraw/zinc/06/43/99/353064399.db2.gz XLYMOEZMPINMAZ-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)nc1 ZINC000334392346 353064400 /nfs/dbraw/zinc/06/44/00/353064400.db2.gz XLYMOEZMPINMAZ-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO Cc1nscc1C(=O)NCc1[nH]cc[nH+]1 ZINC000334383975 353046507 /nfs/dbraw/zinc/04/65/07/353046507.db2.gz LPCRIJALWCSSGB-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)nc1 ZINC000334424133 353103252 /nfs/dbraw/zinc/10/32/52/353103252.db2.gz WEUPXIZUIPJIMV-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)nc1 ZINC000334424133 353103254 /nfs/dbraw/zinc/10/32/54/353103254.db2.gz WEUPXIZUIPJIMV-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)cs1 ZINC000638995277 353235936 /nfs/dbraw/zinc/23/59/36/353235936.db2.gz ZVAAODDRTUZZLZ-QMMMGPOBSA-N 1 2 228.342 1.658 20 0 BDADLO CCc1nc(C(C)(C)NCc2[nH+]ccn2C)no1 ZINC000331262407 353239420 /nfs/dbraw/zinc/23/94/20/353239420.db2.gz DHCPQYOSKXRJRA-UHFFFAOYSA-N 1 2 249.318 1.390 20 0 BDADLO Cc1nc(C[NH2+]C2(CO)CCCCC2)no1 ZINC000225444126 538113010 /nfs/dbraw/zinc/11/30/10/538113010.db2.gz JFXNHWOPFMWSBU-UHFFFAOYSA-N 1 2 225.292 1.163 20 0 BDADLO CC[C@H](COC)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134568438 538113318 /nfs/dbraw/zinc/11/33/18/538113318.db2.gz HZSSORMNJJZRAN-WCBMZHEXSA-N 1 2 211.309 1.794 20 0 BDADLO O=C(CC1CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000608135483 353290264 /nfs/dbraw/zinc/29/02/64/353290264.db2.gz YROIPXNRHUEXAM-UHFFFAOYSA-N 1 2 219.288 1.457 20 0 BDADLO CC[S@@](=O)CCNc1[nH+]cccc1OC ZINC000217390569 324043188 /nfs/dbraw/zinc/04/31/88/324043188.db2.gz ICIVPBAQDMWETE-OAHLLOKOSA-N 1 2 228.317 1.271 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccns1 ZINC000639044207 353330070 /nfs/dbraw/zinc/33/00/70/353330070.db2.gz GZPHUWIKJJOTEV-LLVKDONJSA-N 1 2 239.344 1.373 20 0 BDADLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccns1 ZINC000639044207 353330074 /nfs/dbraw/zinc/33/00/74/353330074.db2.gz GZPHUWIKJJOTEV-LLVKDONJSA-N 1 2 239.344 1.373 20 0 BDADLO FC(F)c1ccnc(C[NH2+]C2CSC2)n1 ZINC000308869628 491049191 /nfs/dbraw/zinc/04/91/91/491049191.db2.gz IMYPLJFMBJIQBG-UHFFFAOYSA-N 1 2 231.271 1.619 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)[C@@H]2C)n1C ZINC000118412727 353355018 /nfs/dbraw/zinc/35/50/18/353355018.db2.gz ZYNFRFUPUXGWTG-DTWKUNHWSA-N 1 2 240.376 1.449 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)n1C ZINC000118412727 353355021 /nfs/dbraw/zinc/35/50/21/353355021.db2.gz ZYNFRFUPUXGWTG-DTWKUNHWSA-N 1 2 240.376 1.449 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)sn1 ZINC000639058686 353364830 /nfs/dbraw/zinc/36/48/30/353364830.db2.gz UDRFVBUODTYXHC-QWRGUYRKSA-N 1 2 239.388 1.976 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)sn1 ZINC000639058686 353364834 /nfs/dbraw/zinc/36/48/34/353364834.db2.gz UDRFVBUODTYXHC-QWRGUYRKSA-N 1 2 239.388 1.976 20 0 BDADLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccns1)C2 ZINC000639067738 353377614 /nfs/dbraw/zinc/37/76/14/353377614.db2.gz YGXIFUOWHAGQTO-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccns1)C2 ZINC000639067738 353377616 /nfs/dbraw/zinc/37/76/16/353377616.db2.gz YGXIFUOWHAGQTO-UHFFFAOYSA-N 1 2 248.311 1.197 20 0 BDADLO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398323120 363220328 /nfs/dbraw/zinc/22/03/28/363220328.db2.gz NKRHEDWJPMGTTE-KKZNHRDASA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398323120 363220333 /nfs/dbraw/zinc/22/03/33/363220333.db2.gz NKRHEDWJPMGTTE-KKZNHRDASA-N 1 2 208.309 1.719 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ncn(C)n1 ZINC000639084547 353422220 /nfs/dbraw/zinc/42/22/20/353422220.db2.gz PBCJIVUOMPFJBO-FXQIFTODSA-N 1 2 230.262 1.509 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC[C@@H]1CCO1 ZINC000639084509 353422233 /nfs/dbraw/zinc/42/22/33/353422233.db2.gz OPDASTZXNFMPER-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC[C@@H]1CCO1 ZINC000639084509 353422235 /nfs/dbraw/zinc/42/22/35/353422235.db2.gz OPDASTZXNFMPER-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO CCn1nnc(C)c1COc1cc[nH+]cc1 ZINC000514784359 324112438 /nfs/dbraw/zinc/11/24/38/324112438.db2.gz ISKWSLKBEOSICC-UHFFFAOYSA-N 1 2 218.260 1.580 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH]nn1)[C@H]1CC1(C)C ZINC000398381826 363229418 /nfs/dbraw/zinc/22/94/18/363229418.db2.gz HLNFLJADMGLYNR-NXEZZACHSA-N 1 2 208.309 1.719 20 0 BDADLO CC[C@@H]([NH2+]Cc1cn[nH]n1)[C@H]1CC1(C)C ZINC000398381826 363229422 /nfs/dbraw/zinc/22/94/22/363229422.db2.gz HLNFLJADMGLYNR-NXEZZACHSA-N 1 2 208.309 1.719 20 0 BDADLO CCC[C@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639094058 353477000 /nfs/dbraw/zinc/47/70/00/353477000.db2.gz BZXBWPYKHRESMR-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)OC ZINC000639094058 353477003 /nfs/dbraw/zinc/47/70/03/353477003.db2.gz BZXBWPYKHRESMR-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cc(N2CCC([C@H](C)O)CC2)c(C#N)c[nH+]1 ZINC000399005944 353549472 /nfs/dbraw/zinc/54/94/72/353549472.db2.gz YEIKEJYGLBARKG-NSHDSACASA-N 1 2 245.326 1.859 20 0 BDADLO CCc1nc(C2([NH2+]C[C@H](C)O)CCCC2)no1 ZINC000192733340 353564289 /nfs/dbraw/zinc/56/42/89/353564289.db2.gz BUDXJMJOCCENGC-VIFPVBQESA-N 1 2 239.319 1.372 20 0 BDADLO CC(C)C1(C[N@H+](CCO)CC(F)F)CC1 ZINC000639124599 353810216 /nfs/dbraw/zinc/81/02/16/353810216.db2.gz XVGSKXPOKOHFQX-UHFFFAOYSA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)C1(C[N@@H+](CCO)CC(F)F)CC1 ZINC000639124599 353810217 /nfs/dbraw/zinc/81/02/17/353810217.db2.gz XVGSKXPOKOHFQX-UHFFFAOYSA-N 1 2 221.291 1.982 20 0 BDADLO Fc1cnc(NCc2cn3ccccc3[nH+]2)nc1 ZINC000301794351 181018078 /nfs/dbraw/zinc/01/80/78/181018078.db2.gz SNJDEJSMDQDPQT-UHFFFAOYSA-N 1 2 243.245 1.876 20 0 BDADLO CC[C@@](C)(C[NH2+]Cc1noc(C2CC2)n1)OC ZINC000639126726 353828431 /nfs/dbraw/zinc/82/84/31/353828431.db2.gz HIBFODKIHYAWPD-LBPRGKRZSA-N 1 2 239.319 1.852 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccc(F)c1N ZINC000639126377 353828816 /nfs/dbraw/zinc/82/88/16/353828816.db2.gz DJFJXZPRJQPPEN-UHFFFAOYSA-N 1 2 249.293 1.309 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000336226256 181020436 /nfs/dbraw/zinc/02/04/36/181020436.db2.gz PYQABVKLWYNYMU-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cnccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000336226256 181020438 /nfs/dbraw/zinc/02/04/38/181020438.db2.gz PYQABVKLWYNYMU-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C(F)F ZINC000343371185 353873768 /nfs/dbraw/zinc/87/37/68/353873768.db2.gz BWLYZLRNRHOADA-MRVPVSSYSA-N 1 2 243.257 1.598 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc[nH+]1 ZINC000343553947 353919879 /nfs/dbraw/zinc/91/98/79/353919879.db2.gz VKYUUVJCFVJXSS-SRVKXCTJSA-N 1 2 247.342 1.807 20 0 BDADLO O=[N+]([O-])c1ccsc1NCCn1cc[nH+]c1 ZINC000390819577 363277912 /nfs/dbraw/zinc/27/79/12/363277912.db2.gz UGEKQBKSKJIULJ-UHFFFAOYSA-N 1 2 238.272 1.965 20 0 BDADLO CC[C@@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343775521 353986050 /nfs/dbraw/zinc/98/60/50/353986050.db2.gz WXCGMBZVTVKNMY-MRVPVSSYSA-N 1 2 224.308 1.488 20 0 BDADLO Cc1cc(NCC[C@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000343650709 353954440 /nfs/dbraw/zinc/95/44/40/353954440.db2.gz KKWGVGVXZWFAPR-NEPJUHHUSA-N 1 2 235.331 1.824 20 0 BDADLO COc1ccc(CNc2cc[nH+]c(C)n2)c(F)c1 ZINC000343898417 354053395 /nfs/dbraw/zinc/05/33/95/354053395.db2.gz FEQYUUPSOQULCJ-UHFFFAOYSA-N 1 2 247.273 1.967 20 0 BDADLO C[C@H]1C[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)CO1 ZINC000344053139 354124718 /nfs/dbraw/zinc/12/47/18/354124718.db2.gz SOGCQAADZXFGAT-UWVGGRQHSA-N 1 2 249.314 1.511 20 0 BDADLO CC(C)(C[NH2+]Cc1ccn[nH]1)C1(O)CCCC1 ZINC000449737287 202015051 /nfs/dbraw/zinc/01/50/51/202015051.db2.gz RDUQDDBXZAMAIR-UHFFFAOYSA-N 1 2 237.347 1.831 20 0 BDADLO CCOC(C)(C)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000232008002 363359930 /nfs/dbraw/zinc/35/99/30/363359930.db2.gz LCXFSHSNRHEMDD-JTQLQIEISA-N 1 2 229.320 1.343 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cc1cccnc1 ZINC000344450540 354261505 /nfs/dbraw/zinc/26/15/05/354261505.db2.gz QTTHKYAWEZSIET-UHFFFAOYSA-N 1 2 241.294 1.642 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000334596232 354230150 /nfs/dbraw/zinc/23/01/50/354230150.db2.gz MIEYOZXNTJKIDK-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH2+]Cc1csnn1 ZINC000231901536 363357603 /nfs/dbraw/zinc/35/76/03/363357603.db2.gz SYPLBBKKLPVGLU-YFKPBYRVSA-N 1 2 225.239 1.969 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000334616938 354304376 /nfs/dbraw/zinc/30/43/76/354304376.db2.gz PDHYZKIYMKXQIZ-JTQLQIEISA-N 1 2 242.282 1.092 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000334616938 354304379 /nfs/dbraw/zinc/30/43/79/354304379.db2.gz PDHYZKIYMKXQIZ-JTQLQIEISA-N 1 2 242.282 1.092 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1ccon1 ZINC000086452621 491061669 /nfs/dbraw/zinc/06/16/69/491061669.db2.gz XGEVGHSCEGIUBA-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@H+](CC3CCC3)C2)O1 ZINC000334622590 354360598 /nfs/dbraw/zinc/36/05/98/354360598.db2.gz AIRWPFQQFSWHGE-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO O=C1N=NC([C@@H]2CCC[N@@H+](CC3CCC3)C2)O1 ZINC000334622590 354360601 /nfs/dbraw/zinc/36/06/01/354360601.db2.gz AIRWPFQQFSWHGE-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC3CCC3)C2)o1 ZINC000334622590 354360604 /nfs/dbraw/zinc/36/06/04/354360604.db2.gz AIRWPFQQFSWHGE-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CCC3)C2)o1 ZINC000334622590 354360605 /nfs/dbraw/zinc/36/06/05/354360605.db2.gz AIRWPFQQFSWHGE-SNVBAGLBSA-N 1 2 237.303 1.755 20 0 BDADLO CC(C)OCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000345023469 354400631 /nfs/dbraw/zinc/40/06/31/354400631.db2.gz JKSNIPPGUCTQQJ-UHFFFAOYSA-N 1 2 239.319 1.573 20 0 BDADLO Cc1ccn2c(C[NH+]3CC(C)(CO)C3)cnc2c1 ZINC000334644082 354401296 /nfs/dbraw/zinc/40/12/96/354401296.db2.gz FIZUNZQDQWHENR-UHFFFAOYSA-N 1 2 245.326 1.457 20 0 BDADLO C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CC=CCC1 ZINC000334666969 354406276 /nfs/dbraw/zinc/40/62/76/354406276.db2.gz VUQOKXKKICQIST-AWEZNQCLSA-N 1 2 245.326 1.972 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000334679504 354425010 /nfs/dbraw/zinc/42/50/10/354425010.db2.gz REGQHDULBNXXSA-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO Cc1ncsc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000334679504 354425014 /nfs/dbraw/zinc/42/50/14/354425014.db2.gz REGQHDULBNXXSA-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cncn1C ZINC000334659061 354455192 /nfs/dbraw/zinc/45/51/92/354455192.db2.gz QTZPKFDUPCFYAY-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cncn1C ZINC000334659061 354455194 /nfs/dbraw/zinc/45/51/94/354455194.db2.gz QTZPKFDUPCFYAY-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)COCCN1Cc1c[nH+]cn1C ZINC000334659061 354455196 /nfs/dbraw/zinc/45/51/96/354455196.db2.gz QTZPKFDUPCFYAY-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cncn1C(C)C ZINC000578071321 366219129 /nfs/dbraw/zinc/21/91/29/366219129.db2.gz PTMUROOJIZPENX-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cncn1C(C)C ZINC000578071321 366219135 /nfs/dbraw/zinc/21/91/35/366219135.db2.gz PTMUROOJIZPENX-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CC(=O)NCCN(C)Cc1c[nH+]cn1C(C)C ZINC000578071321 366219142 /nfs/dbraw/zinc/21/91/42/366219142.db2.gz PTMUROOJIZPENX-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](F)C2)cc[nH+]1 ZINC000334692435 354482476 /nfs/dbraw/zinc/48/24/76/354482476.db2.gz XNTLWHDMPGNDCW-VIFPVBQESA-N 1 2 223.251 1.388 20 0 BDADLO CO[C@@H]1C[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C12CCC2 ZINC000334717447 354516229 /nfs/dbraw/zinc/51/62/29/354516229.db2.gz WLZDVDFFRDLFCE-WDEREUQCSA-N 1 2 249.314 1.406 20 0 BDADLO CCC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000334724074 354523842 /nfs/dbraw/zinc/52/38/42/354523842.db2.gz ZIZYKWCXKBMVHA-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[C@]1(F)CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000334755025 354576327 /nfs/dbraw/zinc/57/63/27/354576327.db2.gz PGWNAEZWZIGEGV-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@]1(F)CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000334755025 354576328 /nfs/dbraw/zinc/57/63/28/354576328.db2.gz PGWNAEZWZIGEGV-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO CNC(=O)C1C[NH+](Cc2ccc(Cl)o2)C1 ZINC000334796799 354550946 /nfs/dbraw/zinc/55/09/46/354550946.db2.gz GEMBXOUOBRQDSR-UHFFFAOYSA-N 1 2 228.679 1.111 20 0 BDADLO CCC(=O)N1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000335093582 354631015 /nfs/dbraw/zinc/63/10/15/354631015.db2.gz DYHSKQBBIUASHP-NSHDSACASA-N 1 2 208.305 1.607 20 0 BDADLO CCC(=O)N1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000335093582 354631017 /nfs/dbraw/zinc/63/10/17/354631017.db2.gz DYHSKQBBIUASHP-NSHDSACASA-N 1 2 208.305 1.607 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CCO[C@H](C)C1 ZINC000335097468 354637351 /nfs/dbraw/zinc/63/73/51/354637351.db2.gz DHZHFYISONDICK-LLVKDONJSA-N 1 2 223.320 1.685 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000335114838 354703672 /nfs/dbraw/zinc/70/36/72/354703672.db2.gz HKFBNIZOAUKOCV-GHMZBOCLSA-N 1 2 226.320 1.066 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000335114838 354703676 /nfs/dbraw/zinc/70/36/76/354703676.db2.gz HKFBNIZOAUKOCV-GHMZBOCLSA-N 1 2 226.320 1.066 20 0 BDADLO CCCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345639687 354721838 /nfs/dbraw/zinc/72/18/38/354721838.db2.gz LGDNSOLSGQGUKL-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO Cc1cc(N[C@H]2C=C[C@H](CO)C2)nc(C(C)C)[nH+]1 ZINC000345521050 354671504 /nfs/dbraw/zinc/67/15/04/354671504.db2.gz LBGIBPSXQAKPPS-RYUDHWBXSA-N 1 2 247.342 1.679 20 0 BDADLO Cn1cc[nH+]c1CSc1nnnn1C1CC1 ZINC000074392819 354760945 /nfs/dbraw/zinc/76/09/45/354760945.db2.gz CUGATZFWALTPHM-UHFFFAOYSA-N 1 2 236.304 1.034 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)c[nH+]1 ZINC000335142005 354846751 /nfs/dbraw/zinc/84/67/51/354846751.db2.gz LKXQPXBPIICJNM-DGCLKSJQSA-N 1 2 249.314 1.406 20 0 BDADLO CC[C@@H](O)CCNc1nc[nH+]c(N)c1Cl ZINC000233912097 363410324 /nfs/dbraw/zinc/41/03/24/363410324.db2.gz YHMLOMAWHVNOTC-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO CC[C@@H](O)CCNc1[nH+]cnc(N)c1Cl ZINC000233912097 363410330 /nfs/dbraw/zinc/41/03/30/363410330.db2.gz YHMLOMAWHVNOTC-ZCFIWIBFSA-N 1 2 230.699 1.285 20 0 BDADLO Cc1occc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000335161527 354913923 /nfs/dbraw/zinc/91/39/23/354913923.db2.gz WSHRUQDJRCGNNZ-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1occc1C[N@H+]1CCNC(=O)C1(C)C ZINC000335161527 354913926 /nfs/dbraw/zinc/91/39/26/354913926.db2.gz WSHRUQDJRCGNNZ-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO CCN(C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335955594 134022971 /nfs/dbraw/zinc/02/29/71/134022971.db2.gz WFZURZCVPHPILU-VIFPVBQESA-N 1 2 222.292 1.618 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000346440077 354937244 /nfs/dbraw/zinc/93/72/44/354937244.db2.gz WMLGGPCSJGLODE-JQWIXIFHSA-N 1 2 243.314 1.718 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000346440077 354937247 /nfs/dbraw/zinc/93/72/47/354937247.db2.gz WMLGGPCSJGLODE-JQWIXIFHSA-N 1 2 243.314 1.718 20 0 BDADLO C[C@H](C(N)=O)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000346526643 354976404 /nfs/dbraw/zinc/97/64/04/354976404.db2.gz AFLCHKWVRZPOOL-SSDOTTSWSA-N 1 2 244.697 1.785 20 0 BDADLO C[C@H](C(N)=O)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000346526643 354976407 /nfs/dbraw/zinc/97/64/07/354976407.db2.gz AFLCHKWVRZPOOL-SSDOTTSWSA-N 1 2 244.697 1.785 20 0 BDADLO CCCCN(CC)C(=O)COCc1[nH]cc[nH+]1 ZINC000346627476 354996621 /nfs/dbraw/zinc/99/66/21/354996621.db2.gz OTSJLIMDJUDFTK-UHFFFAOYSA-N 1 2 239.319 1.575 20 0 BDADLO C[C@@H](O)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000346583742 355001499 /nfs/dbraw/zinc/00/14/99/355001499.db2.gz BVJQYKNPVOKNMH-SECBINFHSA-N 1 2 245.282 1.074 20 0 BDADLO C[C@@]1(C(=O)Nc2c[nH+]c3n2CCCC3)C[C@@H]1F ZINC000335190408 355022967 /nfs/dbraw/zinc/02/29/67/355022967.db2.gz DBZSXWZAZCNXJJ-QPUJVOFHSA-N 1 2 237.278 1.906 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CS[C@@H](C)C2)c[nH+]1 ZINC000335218939 355057980 /nfs/dbraw/zinc/05/79/80/355057980.db2.gz HSLNWDNMILJCGL-XPUUQOCRSA-N 1 2 225.317 1.342 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000639228850 355109029 /nfs/dbraw/zinc/10/90/29/355109029.db2.gz QVQLFHLINWYKTN-SECBINFHSA-N 1 2 212.243 1.952 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@@H](F)C1 ZINC000639228850 355109032 /nfs/dbraw/zinc/10/90/32/355109032.db2.gz QVQLFHLINWYKTN-SECBINFHSA-N 1 2 212.243 1.952 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12CC[C@@H](C)C2 ZINC000335246314 355160493 /nfs/dbraw/zinc/16/04/93/355160493.db2.gz JINJZUXNCLCNSC-PWSUYJOCSA-N 1 2 210.321 1.735 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12CC[C@@H](C)C2 ZINC000335246314 355160496 /nfs/dbraw/zinc/16/04/96/355160496.db2.gz JINJZUXNCLCNSC-PWSUYJOCSA-N 1 2 210.321 1.735 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12CC[C@@H](C)C2 ZINC000335246315 355160785 /nfs/dbraw/zinc/16/07/85/355160785.db2.gz JINJZUXNCLCNSC-ZYHUDNBSSA-N 1 2 210.321 1.735 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12CC[C@@H](C)C2 ZINC000335246315 355160788 /nfs/dbraw/zinc/16/07/88/355160788.db2.gz JINJZUXNCLCNSC-ZYHUDNBSSA-N 1 2 210.321 1.735 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+]C12CCSCC2 ZINC000335252892 355208566 /nfs/dbraw/zinc/20/85/66/355208566.db2.gz RNBHQMQLRNJVNI-UHFFFAOYSA-N 1 2 228.361 1.440 20 0 BDADLO CC(=O)[C@H](C)SCC[N@@H+]1CCOC[C@@H]1C ZINC000413000487 191334780 /nfs/dbraw/zinc/33/47/80/191334780.db2.gz PDQZQZZRVKNTIB-ONGXEEELSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@H](C)SCC[N@H+]1CCOC[C@@H]1C ZINC000413000487 191334784 /nfs/dbraw/zinc/33/47/84/191334784.db2.gz PDQZQZZRVKNTIB-ONGXEEELSA-N 1 2 231.361 1.418 20 0 BDADLO CC1(C)CC[C@]2(C1)NC(=O)[C@H]1CSCC[N@H+]12 ZINC000335259754 355199655 /nfs/dbraw/zinc/19/96/55/355199655.db2.gz SEBZAWWDJWAMRA-SKDRFNHKSA-N 1 2 240.372 1.440 20 0 BDADLO CC1(C)CC[C@]2(C1)NC(=O)[C@H]1CSCC[N@@H+]12 ZINC000335259754 355199656 /nfs/dbraw/zinc/19/96/56/355199656.db2.gz SEBZAWWDJWAMRA-SKDRFNHKSA-N 1 2 240.372 1.440 20 0 BDADLO c1nc(NC2CC2)cc(NCC2CCOCC2)[nH+]1 ZINC000413095873 191356036 /nfs/dbraw/zinc/35/60/36/191356036.db2.gz ALNKYKPISDGDPG-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC2CCOCC2)cc(NC2CC2)[nH+]1 ZINC000413095873 191356039 /nfs/dbraw/zinc/35/60/39/191356039.db2.gz ALNKYKPISDGDPG-UHFFFAOYSA-N 1 2 248.330 1.889 20 0 BDADLO COC[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413152785 191356403 /nfs/dbraw/zinc/35/64/03/191356403.db2.gz JCNVIVIKTXQKDA-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO COC[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413152785 191356405 /nfs/dbraw/zinc/35/64/05/191356405.db2.gz JCNVIVIKTXQKDA-SNVBAGLBSA-N 1 2 248.330 1.524 20 0 BDADLO CC[C@H]1C[N@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000347637686 355243528 /nfs/dbraw/zinc/24/35/28/355243528.db2.gz YWWPENAMTZYQJJ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H]1C[N@@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000347637686 355243533 /nfs/dbraw/zinc/24/35/33/355243533.db2.gz YWWPENAMTZYQJJ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO c1cnn(CCNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000413068937 191351517 /nfs/dbraw/zinc/35/15/17/191351517.db2.gz LEQSBIWIWUXFTR-UHFFFAOYSA-N 1 2 244.302 1.360 20 0 BDADLO c1cnn(CCNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000413068937 191351519 /nfs/dbraw/zinc/35/15/19/191351519.db2.gz LEQSBIWIWUXFTR-UHFFFAOYSA-N 1 2 244.302 1.360 20 0 BDADLO Cc1nc(N2CCO[C@H](C3CCC3)C2)cc[nH+]1 ZINC000413484033 191387585 /nfs/dbraw/zinc/38/75/85/191387585.db2.gz YOLVMEBJIVQQMP-LBPRGKRZSA-N 1 2 233.315 1.790 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000335291478 355266990 /nfs/dbraw/zinc/26/69/90/355266990.db2.gz GNLKILDDUMNMHT-UHFFFAOYSA-N 1 2 232.327 1.789 20 0 BDADLO CCN(C)C(=O)C[N@H+]1Cc2ccc(C)cc2C1 ZINC000335291478 355266992 /nfs/dbraw/zinc/26/69/92/355266992.db2.gz GNLKILDDUMNMHT-UHFFFAOYSA-N 1 2 232.327 1.789 20 0 BDADLO CC(C)c1nc(N2C[C@H](O)C[C@H](C)C2)cc[nH+]1 ZINC000413577684 191394653 /nfs/dbraw/zinc/39/46/53/191394653.db2.gz JPHKCSDNHFSPOV-WDEREUQCSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)NC(=O)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000413574809 191395295 /nfs/dbraw/zinc/39/52/95/191395295.db2.gz UEKUVAWDVUCPQC-VIFPVBQESA-N 1 2 248.330 1.101 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413158884 191362243 /nfs/dbraw/zinc/36/22/43/191362243.db2.gz WDMUUFMKCXBEPR-IUCAKERBSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413158884 191362244 /nfs/dbraw/zinc/36/22/44/191362244.db2.gz WDMUUFMKCXBEPR-IUCAKERBSA-N 1 2 236.319 1.480 20 0 BDADLO Cc1ccc(CCNc2ncccn2)[nH+]c1 ZINC000413349952 191374083 /nfs/dbraw/zinc/37/40/83/191374083.db2.gz IDPMUUZXCYJGRQ-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO CC1(O)C[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000639253917 355293248 /nfs/dbraw/zinc/29/32/48/355293248.db2.gz UUFURRVWSAPHGZ-IHWYPQMZSA-N 1 2 221.275 1.906 20 0 BDADLO Cn1nc2c(c1C[NH+]1CC(C)(CO)C1)CCCC2 ZINC000639254843 355293982 /nfs/dbraw/zinc/29/39/82/355293982.db2.gz CXNINSNSHFLRCE-UHFFFAOYSA-N 1 2 249.358 1.113 20 0 BDADLO COc1cncc(C[NH+]2CC(C)(CO)C2)c1C ZINC000639255192 355297745 /nfs/dbraw/zinc/29/77/45/355297745.db2.gz OGRVDHRRJUOTBB-UHFFFAOYSA-N 1 2 236.315 1.213 20 0 BDADLO c1cc(C[NH+]2CCC(c3ccncn3)CC2)no1 ZINC000639260157 355306945 /nfs/dbraw/zinc/30/69/45/355306945.db2.gz LWFZIJSZZBUCNI-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccns2)n1 ZINC000639260964 355311348 /nfs/dbraw/zinc/31/13/48/355311348.db2.gz BMYASGNOHAHGMZ-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO COC[C@H](C)C[N@@H+]1CCCC(F)(F)C1 ZINC000651896394 491077499 /nfs/dbraw/zinc/07/74/99/491077499.db2.gz QTOPTENRODWCFF-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO COC[C@H](C)C[N@H+]1CCCC(F)(F)C1 ZINC000651896394 491077501 /nfs/dbraw/zinc/07/75/01/491077501.db2.gz QTOPTENRODWCFF-SECBINFHSA-N 1 2 207.264 2.000 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccon1 ZINC000349231321 355371569 /nfs/dbraw/zinc/37/15/69/355371569.db2.gz AGXLDDWFQQBPNL-SECBINFHSA-N 1 2 245.282 1.624 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349238213 355373019 /nfs/dbraw/zinc/37/30/19/355373019.db2.gz GVVXTGHWOXPLJK-GUBZILKMSA-N 1 2 239.319 1.628 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccon1 ZINC000349241428 355373987 /nfs/dbraw/zinc/37/39/87/355373987.db2.gz NFNYXWFUFKZLQQ-BDAKNGLRSA-N 1 2 239.319 1.628 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000623237501 355379139 /nfs/dbraw/zinc/37/91/39/355379139.db2.gz AWCLLKDFZUIPIB-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1ccoc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000623237501 355379141 /nfs/dbraw/zinc/37/91/41/355379141.db2.gz AWCLLKDFZUIPIB-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCOCC1 ZINC000335782883 355430446 /nfs/dbraw/zinc/43/04/46/355430446.db2.gz HPACMEHQAROJSY-LLVKDONJSA-N 1 2 234.299 1.567 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(C)cnn2C)C[C@H](C)O1 ZINC000335811181 355496030 /nfs/dbraw/zinc/49/60/30/355496030.db2.gz QUMYJMPJISPWKN-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(C)cnn2C)C[C@H](C)O1 ZINC000335811181 355496032 /nfs/dbraw/zinc/49/60/32/355496032.db2.gz QUMYJMPJISPWKN-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO CCN1CC[N@H+](Cc2ccc(C)nc2C)CC1=O ZINC000335796108 355452554 /nfs/dbraw/zinc/45/25/54/355452554.db2.gz DUFURZJCWQKZJP-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO CCN1CC[N@@H+](Cc2ccc(C)nc2C)CC1=O ZINC000335796108 355452556 /nfs/dbraw/zinc/45/25/56/355452556.db2.gz DUFURZJCWQKZJP-UHFFFAOYSA-N 1 2 247.342 1.363 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccn(C)n1 ZINC000349778584 355459591 /nfs/dbraw/zinc/45/95/91/355459591.db2.gz SOWDGYOXHXZGHE-LLVKDONJSA-N 1 2 233.319 1.395 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc(C)c(OC)c2)n1 ZINC000349852360 355482540 /nfs/dbraw/zinc/48/25/40/355482540.db2.gz JHEOTKKZYHQBID-UHFFFAOYSA-N 1 2 247.298 1.697 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2cncc(C)c2)n1 ZINC000349936330 355531509 /nfs/dbraw/zinc/53/15/09/355531509.db2.gz PZZRXYUNVSRPFZ-ONEGZZNKSA-N 1 2 230.271 1.663 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000335816495 355506942 /nfs/dbraw/zinc/50/69/42/355506942.db2.gz XVVVWLWWRCMBLU-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000335816495 355506943 /nfs/dbraw/zinc/50/69/43/355506943.db2.gz XVVVWLWWRCMBLU-ZETCQYMHSA-N 1 2 232.736 1.753 20 0 BDADLO CSc1ccc[nH+]c1N[C@@H](C)Cn1cncn1 ZINC000639292581 355523018 /nfs/dbraw/zinc/52/30/18/355523018.db2.gz JSAIMNMIXWKOEC-VIFPVBQESA-N 1 2 249.343 1.896 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc2sccc2c1=O ZINC000166475327 355525040 /nfs/dbraw/zinc/52/50/40/355525040.db2.gz KQROCLPDFNJVJB-UHFFFAOYSA-N 1 2 245.307 1.845 20 0 BDADLO CCCCc1nc(C[N@H+](C)CCCCO)no1 ZINC000349920972 355527376 /nfs/dbraw/zinc/52/73/76/355527376.db2.gz LEQQTPUHKBBKOW-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCc1nc(C[N@@H+](C)CCCCO)no1 ZINC000349920972 355527379 /nfs/dbraw/zinc/52/73/79/355527379.db2.gz LEQQTPUHKBBKOW-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)n1 ZINC000335841581 355585517 /nfs/dbraw/zinc/58/55/17/355585517.db2.gz WHYQOVPDLXBOMW-WCBMZHEXSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)n1 ZINC000335841581 355585520 /nfs/dbraw/zinc/58/55/20/355585520.db2.gz WHYQOVPDLXBOMW-WCBMZHEXSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@H](C)C2(F)F)cc[nH+]1 ZINC000335844420 355588699 /nfs/dbraw/zinc/58/86/99/355588699.db2.gz XRWLRXXSBHABFA-CBAPKCEASA-N 1 2 226.226 1.652 20 0 BDADLO Cc1cc(NC(=O)[C@H]2[C@@H](C)C2(F)F)cc[nH+]1 ZINC000335844423 355589304 /nfs/dbraw/zinc/58/93/04/355589304.db2.gz XRWLRXXSBHABFA-VXNVDRBHSA-N 1 2 226.226 1.652 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC12CC2 ZINC000583561098 355611144 /nfs/dbraw/zinc/61/11/44/355611144.db2.gz YYFIAKMFRYSPDJ-LLVKDONJSA-N 1 2 247.298 1.442 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000335872888 355640496 /nfs/dbraw/zinc/64/04/96/355640496.db2.gz QBMPLGDHCDNBNE-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncsc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000335872888 355640499 /nfs/dbraw/zinc/64/04/99/355640499.db2.gz QBMPLGDHCDNBNE-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000335873540 355641114 /nfs/dbraw/zinc/64/11/14/355641114.db2.gz ICKINQNGZVZVCG-NXEZZACHSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000335873541 355641493 /nfs/dbraw/zinc/64/14/93/355641493.db2.gz ICKINQNGZVZVCG-UWVGGRQHSA-N 1 2 236.319 1.408 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCNC(=O)CC2)c1 ZINC000639311774 355671595 /nfs/dbraw/zinc/67/15/95/355671595.db2.gz DECGVHOIEFFZLM-LLVKDONJSA-N 1 2 249.314 1.309 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cccnc1 ZINC000335860623 355622584 /nfs/dbraw/zinc/62/25/84/355622584.db2.gz NGHGVYSLVKTQOS-UHFFFAOYSA-N 1 2 227.267 1.713 20 0 BDADLO CCC(CC)(OC)c1noc(C[NH+](C)C)n1 ZINC000350429505 355703829 /nfs/dbraw/zinc/70/38/29/355703829.db2.gz KKOCNNRHESMVHZ-UHFFFAOYSA-N 1 2 227.308 1.793 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC2(C1)CCCC2 ZINC000335882621 355672743 /nfs/dbraw/zinc/67/27/43/355672743.db2.gz MPVRXZAWJRNNKB-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000336001164 134047246 /nfs/dbraw/zinc/04/72/46/134047246.db2.gz SGVLVZIAUPUODD-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000336001164 134047247 /nfs/dbraw/zinc/04/72/47/134047247.db2.gz SGVLVZIAUPUODD-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335886803 355677857 /nfs/dbraw/zinc/67/78/57/355677857.db2.gz ZPJDGJJOSWNGKC-NXEZZACHSA-N 1 2 233.315 1.360 20 0 BDADLO Cc1cc(N2C[C@H](O)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000350683794 355740801 /nfs/dbraw/zinc/74/08/01/355740801.db2.gz HWNPGBLKQVUFAO-GXSJLCMTSA-N 1 2 233.315 1.622 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccnc(C)n1 ZINC000350684654 355741573 /nfs/dbraw/zinc/74/15/73/355741573.db2.gz ZHGQMWFYIMKIEV-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccnc(C)n1 ZINC000350684654 355741575 /nfs/dbraw/zinc/74/15/75/355741575.db2.gz ZHGQMWFYIMKIEV-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000350699738 355743503 /nfs/dbraw/zinc/74/35/03/355743503.db2.gz LSLUQTIMKBLRFM-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000350699738 355743506 /nfs/dbraw/zinc/74/35/06/355743506.db2.gz LSLUQTIMKBLRFM-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H](O)C[C@@H]2C)[nH+]1 ZINC000350703842 355744306 /nfs/dbraw/zinc/74/43/06/355744306.db2.gz VUXZLHZWYBNWHT-IONNQARKSA-N 1 2 232.287 1.226 20 0 BDADLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC2(C1)CCCO2 ZINC000639348634 355789648 /nfs/dbraw/zinc/78/96/48/355789648.db2.gz XUPUPRCSQOTFFN-GFCCVEGCSA-N 1 2 247.342 1.736 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccc(Cl)o2)C1 ZINC000425376835 191830394 /nfs/dbraw/zinc/83/03/94/191830394.db2.gz YIFFEGKQGUWWAD-UHFFFAOYSA-N 1 2 243.690 1.928 20 0 BDADLO CN(C)c1c[nH+]cc(NCC[C@@H]2CCOC2)c1 ZINC000639366145 355841746 /nfs/dbraw/zinc/84/17/46/355841746.db2.gz UJYMJRPGORMDHI-LLVKDONJSA-N 1 2 235.331 1.986 20 0 BDADLO c1[nH]nnc1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000628363550 355848414 /nfs/dbraw/zinc/84/84/14/355848414.db2.gz NWZOSFIRNBYKFF-VXGBXAGGSA-N 1 2 220.320 1.863 20 0 BDADLO c1n[nH]nc1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000628363550 355848417 /nfs/dbraw/zinc/84/84/17/355848417.db2.gz NWZOSFIRNBYKFF-VXGBXAGGSA-N 1 2 220.320 1.863 20 0 BDADLO C[C@H](Cc1ccoc1)[NH2+]Cc1c[nH]nn1 ZINC000628363582 355849585 /nfs/dbraw/zinc/84/95/85/355849585.db2.gz PPNIEWOUHSNDSH-MRVPVSSYSA-N 1 2 206.249 1.119 20 0 BDADLO C[C@H](Cc1ccoc1)[NH2+]Cc1cn[nH]n1 ZINC000628363582 355849588 /nfs/dbraw/zinc/84/95/88/355849588.db2.gz PPNIEWOUHSNDSH-MRVPVSSYSA-N 1 2 206.249 1.119 20 0 BDADLO CC[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623254890 355856591 /nfs/dbraw/zinc/85/65/91/355856591.db2.gz NRIRWWHOMZWPND-LLVKDONJSA-N 1 2 223.320 1.920 20 0 BDADLO CCc1cnc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)o1 ZINC000608562635 355859801 /nfs/dbraw/zinc/85/98/01/355859801.db2.gz ORXNICAGRWPRAR-JTQLQIEISA-N 1 2 239.319 1.227 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255660 355860779 /nfs/dbraw/zinc/86/07/79/355860779.db2.gz OIERJTDDKMXWFA-NTZNESFSSA-N 1 2 247.342 1.750 20 0 BDADLO CC(C)c1cnc(C[NH+](CCO)CCO)s1 ZINC000628369869 355878408 /nfs/dbraw/zinc/87/84/08/355878408.db2.gz HHDSRKOTWAEAHK-UHFFFAOYSA-N 1 2 244.360 1.053 20 0 BDADLO CC1([NH2+]Cc2ccc(F)cc2F)COC1 ZINC000639382561 355929306 /nfs/dbraw/zinc/92/93/06/355929306.db2.gz STFSXHJXNVQQES-UHFFFAOYSA-N 1 2 213.227 1.843 20 0 BDADLO COCCc1nc(C[N@H+](C(C)C)C2CC2)no1 ZINC000351343867 355977677 /nfs/dbraw/zinc/97/76/77/355977677.db2.gz UVGJDBQQUZCEPC-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO COCCc1nc(C[N@@H+](C(C)C)C2CC2)no1 ZINC000351343867 355977684 /nfs/dbraw/zinc/97/76/84/355977684.db2.gz UVGJDBQQUZCEPC-UHFFFAOYSA-N 1 2 239.319 1.631 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CCC(C)CC1)[C@H](C)O ZINC000351521842 356007946 /nfs/dbraw/zinc/00/79/46/356007946.db2.gz IOWHJXRCXNPPGA-POSLAHMBSA-N 1 2 243.347 1.325 20 0 BDADLO CC(C)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000623256886 355985132 /nfs/dbraw/zinc/98/51/32/355985132.db2.gz YZMZJXXGLBZONM-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO Clc1ccc(C[N@@H+]2CCCOCC2)nn1 ZINC000167404713 355991930 /nfs/dbraw/zinc/99/19/30/355991930.db2.gz QAHUGWSKDPZZKT-UHFFFAOYSA-N 1 2 227.695 1.352 20 0 BDADLO Clc1ccc(C[N@H+]2CCCOCC2)nn1 ZINC000167404713 355991935 /nfs/dbraw/zinc/99/19/35/355991935.db2.gz QAHUGWSKDPZZKT-UHFFFAOYSA-N 1 2 227.695 1.352 20 0 BDADLO OC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC000639386682 355997055 /nfs/dbraw/zinc/99/70/55/355997055.db2.gz KGUUYHNJLAELMU-JGVFFNPUSA-N 1 2 249.236 1.012 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@@H]2CCCOC2)no1 ZINC000351487293 355998504 /nfs/dbraw/zinc/99/85/04/355998504.db2.gz CDNGAMHRRPWXPC-ONGXEEELSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@@H]2CCCOC2)no1 ZINC000351487293 355998507 /nfs/dbraw/zinc/99/85/07/355998507.db2.gz CDNGAMHRRPWXPC-ONGXEEELSA-N 1 2 239.319 1.797 20 0 BDADLO CC[C@@]1(O)CCC[N@H+](Cc2csnn2)C1 ZINC000639384276 355952863 /nfs/dbraw/zinc/95/28/63/355952863.db2.gz DZYYZHWEIHDSOV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+](Cc2csnn2)C1 ZINC000639384276 355952867 /nfs/dbraw/zinc/95/28/67/355952867.db2.gz DZYYZHWEIHDSOV-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CC[N@H+](Cc1noc(CCOC)n1)C1CCC1 ZINC000351521714 356007802 /nfs/dbraw/zinc/00/78/02/356007802.db2.gz VNLKSTVEMPRFMQ-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CC[N@@H+](Cc1noc(CCOC)n1)C1CCC1 ZINC000351521714 356007805 /nfs/dbraw/zinc/00/78/05/356007805.db2.gz VNLKSTVEMPRFMQ-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO COC[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748633 355972536 /nfs/dbraw/zinc/97/25/36/355972536.db2.gz FVOOJKRVNAULNG-CIUDSAMLSA-N 1 2 241.253 1.673 20 0 BDADLO COC[C@H](C)[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748633 355972538 /nfs/dbraw/zinc/97/25/38/355972538.db2.gz FVOOJKRVNAULNG-CIUDSAMLSA-N 1 2 241.253 1.673 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(CCF)CC1 ZINC000623258181 356065267 /nfs/dbraw/zinc/06/52/67/356065267.db2.gz IRPOJTUOADBMER-VIFPVBQESA-N 1 2 237.278 1.064 20 0 BDADLO COCCC[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000351664889 356049066 /nfs/dbraw/zinc/04/90/66/356049066.db2.gz JVRBCFUKGRLGSC-SECBINFHSA-N 1 2 238.287 1.210 20 0 BDADLO C[C@H](O)[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336066425 134070569 /nfs/dbraw/zinc/07/05/69/134070569.db2.gz DWQGOPXYHPMMKU-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336066425 134070570 /nfs/dbraw/zinc/07/05/70/134070570.db2.gz DWQGOPXYHPMMKU-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO CCc1cc(NCCC[C@@H](C)O)nc[nH+]1 ZINC000227997156 491086660 /nfs/dbraw/zinc/08/66/60/491086660.db2.gz BSEBHVMNRPTPHR-SECBINFHSA-N 1 2 209.293 1.612 20 0 BDADLO c1cn(CCCSc2c[nH]nn2)c[nH+]1 ZINC000351697408 356061824 /nfs/dbraw/zinc/06/18/24/356061824.db2.gz NGTNPFZPNOYXSD-UHFFFAOYSA-N 1 2 209.278 1.184 20 0 BDADLO c1cn(CCCSc2cn[nH]n2)c[nH+]1 ZINC000351697408 356061827 /nfs/dbraw/zinc/06/18/27/356061827.db2.gz NGTNPFZPNOYXSD-UHFFFAOYSA-N 1 2 209.278 1.184 20 0 BDADLO NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000338397334 181227517 /nfs/dbraw/zinc/22/75/17/181227517.db2.gz HTFKLDRUZGRBJW-UHFFFAOYSA-N 1 2 229.283 1.789 20 0 BDADLO C[N@H+](Cc1cc(C(C)(C)C)on1)C1CC(O)C1 ZINC000351583226 356020786 /nfs/dbraw/zinc/02/07/86/356020786.db2.gz SOWSWAVIDALDDY-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO C[N@@H+](Cc1cc(C(C)(C)C)on1)C1CC(O)C1 ZINC000351583226 356020791 /nfs/dbraw/zinc/02/07/91/356020791.db2.gz SOWSWAVIDALDDY-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374538898 181233423 /nfs/dbraw/zinc/23/34/23/181233423.db2.gz SSKANYFYNQJMSM-LBPRGKRZSA-N 1 2 222.263 1.042 20 0 BDADLO NC(=O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374538898 181233424 /nfs/dbraw/zinc/23/34/24/181233424.db2.gz SSKANYFYNQJMSM-LBPRGKRZSA-N 1 2 222.263 1.042 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000351871916 356104840 /nfs/dbraw/zinc/10/48/40/356104840.db2.gz BFSVJQRWXDKRAW-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000351871916 356104846 /nfs/dbraw/zinc/10/48/46/356104846.db2.gz BFSVJQRWXDKRAW-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCCn3nccc32)o1 ZINC000639398848 356117895 /nfs/dbraw/zinc/11/78/95/356117895.db2.gz OYKKQYURCNJIFL-SNVBAGLBSA-N 1 2 232.287 1.804 20 0 BDADLO NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000341467226 181243778 /nfs/dbraw/zinc/24/37/78/181243778.db2.gz VCUIWUYLJLXAKX-JTQLQIEISA-N 1 2 215.256 1.417 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000351717989 356069629 /nfs/dbraw/zinc/06/96/29/356069629.db2.gz HFLUGQLDMGYICK-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000351717989 356069633 /nfs/dbraw/zinc/06/96/33/356069633.db2.gz HFLUGQLDMGYICK-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351787020 356085552 /nfs/dbraw/zinc/08/55/52/356085552.db2.gz YMQJNLWRHGERTQ-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@H](O)C2)no1 ZINC000351787020 356085554 /nfs/dbraw/zinc/08/55/54/356085554.db2.gz YMQJNLWRHGERTQ-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000351871914 356104424 /nfs/dbraw/zinc/10/44/24/356104424.db2.gz BFSVJQRWXDKRAW-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000351871914 356104427 /nfs/dbraw/zinc/10/44/27/356104427.db2.gz BFSVJQRWXDKRAW-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccco2)C[C@@H](C)S1=O ZINC000336089548 134078003 /nfs/dbraw/zinc/07/80/03/134078003.db2.gz HUYCPYADYIUFRE-NXEZZACHSA-N 1 2 227.329 1.621 20 0 BDADLO CO[C@H](C)C[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262066 356161938 /nfs/dbraw/zinc/16/19/38/356161938.db2.gz NAYWSJPYMFTNQA-LLVKDONJSA-N 1 2 248.326 1.500 20 0 BDADLO CO[C@H](C)C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262066 356161939 /nfs/dbraw/zinc/16/19/39/356161939.db2.gz NAYWSJPYMFTNQA-LLVKDONJSA-N 1 2 248.326 1.500 20 0 BDADLO CCC(C)(C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000617569264 356129882 /nfs/dbraw/zinc/12/98/82/356129882.db2.gz UBCSMKQHJZXBHV-JTQLQIEISA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261174 356144538 /nfs/dbraw/zinc/14/45/38/356144538.db2.gz BXXMZTJXVBVUDK-SNVBAGLBSA-N 1 2 235.331 1.606 20 0 BDADLO C[C@H]1C[NH+](Cc2ncccn2)C[C@H](C)S1 ZINC000336086180 134076463 /nfs/dbraw/zinc/07/64/63/134076463.db2.gz OAPZJADVRKMXOU-UWVGGRQHSA-N 1 2 223.345 1.802 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335913723 356146198 /nfs/dbraw/zinc/14/61/98/356146198.db2.gz GPFIGAUJIQAPOY-PHIMTYICSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335913723 356146200 /nfs/dbraw/zinc/14/62/00/356146200.db2.gz GPFIGAUJIQAPOY-PHIMTYICSA-N 1 2 208.261 1.346 20 0 BDADLO O=C(CC1CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265053 356231167 /nfs/dbraw/zinc/23/11/67/356231167.db2.gz ZZYQFXBBCMARTN-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO CCCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623265037 356231348 /nfs/dbraw/zinc/23/13/48/356231348.db2.gz ZMBNMSFEKKRHPY-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1=CCCC1 ZINC000623264962 356231368 /nfs/dbraw/zinc/23/13/68/356231368.db2.gz XURHVOGIEKMMRC-JTQLQIEISA-N 1 2 217.272 1.034 20 0 BDADLO CC[C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000617640114 356250847 /nfs/dbraw/zinc/25/08/47/356250847.db2.gz SZHYTYQDCQMZHM-JTQLQIEISA-N 1 2 223.320 1.515 20 0 BDADLO CC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000639459574 356247758 /nfs/dbraw/zinc/24/77/58/356247758.db2.gz PWVAAVLHRJHNAK-CYBMUJFWSA-N 1 2 237.299 1.850 20 0 BDADLO CC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000639459574 356247763 /nfs/dbraw/zinc/24/77/63/356247763.db2.gz PWVAAVLHRJHNAK-CYBMUJFWSA-N 1 2 237.299 1.850 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000336110059 134085969 /nfs/dbraw/zinc/08/59/69/134085969.db2.gz XRFPKWHPHJHKIE-WDEREUQCSA-N 1 2 220.320 1.878 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000336110059 134085970 /nfs/dbraw/zinc/08/59/70/134085970.db2.gz XRFPKWHPHJHKIE-WDEREUQCSA-N 1 2 220.320 1.878 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265333 356293048 /nfs/dbraw/zinc/29/30/48/356293048.db2.gz CMAKJRMNMRHXCA-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000623265452 356298088 /nfs/dbraw/zinc/29/80/88/356298088.db2.gz GLFDDTQSCAWWPG-ZJUUUORDSA-N 1 2 235.331 1.606 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000639484925 356300474 /nfs/dbraw/zinc/30/04/74/356300474.db2.gz ASQDXZGDEYVRTB-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000639484925 356300477 /nfs/dbraw/zinc/30/04/77/356300477.db2.gz ASQDXZGDEYVRTB-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617738629 356303821 /nfs/dbraw/zinc/30/38/21/356303821.db2.gz RINJSVNBLUTDGX-SDDRHHMPSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617738629 356303824 /nfs/dbraw/zinc/30/38/24/356303824.db2.gz RINJSVNBLUTDGX-SDDRHHMPSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccc(F)cc3n2C)CCO1 ZINC000336129054 134093593 /nfs/dbraw/zinc/09/35/93/134093593.db2.gz LZGISHJXDVYFBS-VIFPVBQESA-N 1 2 249.289 1.938 20 0 BDADLO COc1ccc([C@@H](CO)[N@H+](C)CC(C)=O)cc1 ZINC000639490352 356307881 /nfs/dbraw/zinc/30/78/81/356307881.db2.gz YHEVASLMKOPDGK-CYBMUJFWSA-N 1 2 237.299 1.249 20 0 BDADLO COc1ccc([C@@H](CO)[N@@H+](C)CC(C)=O)cc1 ZINC000639490352 356307884 /nfs/dbraw/zinc/30/78/84/356307884.db2.gz YHEVASLMKOPDGK-CYBMUJFWSA-N 1 2 237.299 1.249 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639512577 356349177 /nfs/dbraw/zinc/34/91/77/356349177.db2.gz WFLCCPVTOCHYKS-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639512577 356349181 /nfs/dbraw/zinc/34/91/81/356349181.db2.gz WFLCCPVTOCHYKS-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO NC(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377902724 181266043 /nfs/dbraw/zinc/26/60/43/181266043.db2.gz CIJYHARRBWKDRX-FRRDWIJNSA-N 1 2 246.310 1.076 20 0 BDADLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377902724 181266046 /nfs/dbraw/zinc/26/60/46/181266046.db2.gz CIJYHARRBWKDRX-FRRDWIJNSA-N 1 2 246.310 1.076 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cn[nH]c1 ZINC000040827584 358503024 /nfs/dbraw/zinc/50/30/24/358503024.db2.gz WXUPMLGFNILCOI-UHFFFAOYSA-N 1 2 231.259 1.123 20 0 BDADLO CC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000639538253 356390774 /nfs/dbraw/zinc/39/07/74/356390774.db2.gz KGRQDFOAKCSJQB-ZDUSSCGKSA-N 1 2 219.284 1.167 20 0 BDADLO CC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000639538253 356390777 /nfs/dbraw/zinc/39/07/77/356390777.db2.gz KGRQDFOAKCSJQB-ZDUSSCGKSA-N 1 2 219.284 1.167 20 0 BDADLO CCC[C@H]([NH2+]CCCF)C(=O)OCC ZINC000379483614 358502430 /nfs/dbraw/zinc/50/24/30/358502430.db2.gz GCJXZVZIMBTEOT-VIFPVBQESA-N 1 2 205.273 1.667 20 0 BDADLO CC[N@H+](C[C@H](C)O)[C@@H](C)c1nnc(C)s1 ZINC000352195942 134098655 /nfs/dbraw/zinc/09/86/55/134098655.db2.gz VLRNFAGSOAAGRX-YUMQZZPRSA-N 1 2 229.349 1.610 20 0 BDADLO CC[N@@H+](C[C@H](C)O)[C@@H](C)c1nnc(C)s1 ZINC000352195942 134098656 /nfs/dbraw/zinc/09/86/56/134098656.db2.gz VLRNFAGSOAAGRX-YUMQZZPRSA-N 1 2 229.349 1.610 20 0 BDADLO CN(Cc1nc(CC2CC2)no1)Cc1[nH]cc[nH+]1 ZINC000639551205 356432464 /nfs/dbraw/zinc/43/24/64/356432464.db2.gz KBOXQAUFNQLEBQ-UHFFFAOYSA-N 1 2 247.302 1.377 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000336155569 134105805 /nfs/dbraw/zinc/10/58/05/134105805.db2.gz RBHCEKZWQLJVQK-JTQLQIEISA-N 1 2 247.298 1.890 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000336155569 134105806 /nfs/dbraw/zinc/10/58/06/134105806.db2.gz RBHCEKZWQLJVQK-JTQLQIEISA-N 1 2 247.298 1.890 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(C3(C)CC3)no2)C1 ZINC000420504133 192244976 /nfs/dbraw/zinc/24/49/76/192244976.db2.gz WDRVQWOWLHVDBP-SECBINFHSA-N 1 2 237.303 1.514 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(C3(C)CC3)no2)C1 ZINC000420504133 192244977 /nfs/dbraw/zinc/24/49/77/192244977.db2.gz WDRVQWOWLHVDBP-SECBINFHSA-N 1 2 237.303 1.514 20 0 BDADLO Cc1nc(N2C[C@H](CO)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000420632612 192253241 /nfs/dbraw/zinc/25/32/41/192253241.db2.gz RSEQLLOWVWPLHJ-TVQRCGJNSA-N 1 2 249.358 1.857 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cccs1 ZINC000623282466 356467472 /nfs/dbraw/zinc/46/74/72/356467472.db2.gz YLODRXNJINFURK-QMMMGPOBSA-N 1 2 233.296 1.299 20 0 BDADLO CC[C@H](C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000420648102 192255442 /nfs/dbraw/zinc/25/54/42/192255442.db2.gz CTFYSCBQGMKBRG-VHSXEESVSA-N 1 2 238.335 1.149 20 0 BDADLO CC[C@H](C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000420648102 192255444 /nfs/dbraw/zinc/25/54/44/192255444.db2.gz CTFYSCBQGMKBRG-VHSXEESVSA-N 1 2 238.335 1.149 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336166384 134113368 /nfs/dbraw/zinc/11/33/68/134113368.db2.gz BKJVNALXTPURSX-ZJUUUORDSA-N 1 2 233.315 1.360 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000334156751 356476310 /nfs/dbraw/zinc/47/63/10/356476310.db2.gz ZLDLQTDXMDGIHZ-NSHDSACASA-N 1 2 247.342 1.704 20 0 BDADLO CCCC[N@H+](CCO)Cc1nn(C)cc1Cl ZINC000420901895 192268090 /nfs/dbraw/zinc/26/80/90/192268090.db2.gz LIUKRFAFOYRNPE-UHFFFAOYSA-N 1 2 245.754 1.668 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nn(C)cc1Cl ZINC000420901895 192268091 /nfs/dbraw/zinc/26/80/91/192268091.db2.gz LIUKRFAFOYRNPE-UHFFFAOYSA-N 1 2 245.754 1.668 20 0 BDADLO C[N@H+](CCCCO)Cc1nc(CC2CC2)no1 ZINC000639607624 356522362 /nfs/dbraw/zinc/52/23/62/356522362.db2.gz XIGCKEFSSKIQGO-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO C[N@@H+](CCCCO)Cc1nc(CC2CC2)no1 ZINC000639607624 356522364 /nfs/dbraw/zinc/52/23/64/356522364.db2.gz XIGCKEFSSKIQGO-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000639606952 356526728 /nfs/dbraw/zinc/52/67/28/356526728.db2.gz OLGPQMBTKVIYGB-AEJSXWLSSA-N 1 2 246.301 1.618 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000639606952 356526732 /nfs/dbraw/zinc/52/67/32/356526732.db2.gz OLGPQMBTKVIYGB-AEJSXWLSSA-N 1 2 246.301 1.618 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nn(C)cc1Cl ZINC000420961893 192282015 /nfs/dbraw/zinc/28/20/15/192282015.db2.gz JQOGHCMKXSWLQT-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420961893 192282017 /nfs/dbraw/zinc/28/20/17/192282017.db2.gz JQOGHCMKXSWLQT-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CC[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@@H](CC)O1 ZINC000420964967 192284046 /nfs/dbraw/zinc/28/40/46/192284046.db2.gz XPWPRCWAQQNXRF-VXGBXAGGSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)n1 ZINC000420967028 192284565 /nfs/dbraw/zinc/28/45/65/192284565.db2.gz XERCDCLSMSDTPX-LLVKDONJSA-N 1 2 235.335 1.222 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@@H](C3CCCC3)C2)n1 ZINC000420967028 192284567 /nfs/dbraw/zinc/28/45/67/192284567.db2.gz XERCDCLSMSDTPX-LLVKDONJSA-N 1 2 235.335 1.222 20 0 BDADLO CO[C@](C)(c1noc(Cn2cc[nH+]c2)n1)C1CC1 ZINC000350437218 366278510 /nfs/dbraw/zinc/27/85/10/366278510.db2.gz RDIFCXSFPKTEKO-LBPRGKRZSA-N 1 2 248.286 1.586 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1ccccn1 ZINC000639618492 356536233 /nfs/dbraw/zinc/53/62/33/356536233.db2.gz MWOBSNGWCZYKKA-UWVGGRQHSA-N 1 2 219.288 1.503 20 0 BDADLO CCC(F)(F)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000639624730 356537704 /nfs/dbraw/zinc/53/77/04/356537704.db2.gz JIKWXNMVCICTOO-JGVFFNPUSA-N 1 2 220.263 1.146 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000639624732 356537779 /nfs/dbraw/zinc/53/77/79/356537779.db2.gz JIKWXNMVCICTOO-YUMQZZPRSA-N 1 2 220.263 1.146 20 0 BDADLO CC[N@H+](CCOCCO)CC(F)(F)CC ZINC000639626673 356539755 /nfs/dbraw/zinc/53/97/55/356539755.db2.gz WOBKIMLIPMCTRH-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO CC[N@@H+](CCOCCO)CC(F)(F)CC ZINC000639626673 356539759 /nfs/dbraw/zinc/53/97/59/356539759.db2.gz WOBKIMLIPMCTRH-UHFFFAOYSA-N 1 2 225.279 1.363 20 0 BDADLO CC[C@](C)(OC)c1noc(Cn2cc[nH+]c2)n1 ZINC000350440381 366279379 /nfs/dbraw/zinc/27/93/79/366279379.db2.gz RZFNXCPOESFBNC-NSHDSACASA-N 1 2 236.275 1.586 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(C2CCOCC2)no1 ZINC000350417962 366277212 /nfs/dbraw/zinc/27/72/12/366277212.db2.gz BCTIPZNGPMIVBH-UHFFFAOYSA-N 1 2 248.286 1.288 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006938 192298805 /nfs/dbraw/zinc/29/88/05/192298805.db2.gz HGGWOFVAZRJQFW-PSASIEDQSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000421006938 192298806 /nfs/dbraw/zinc/29/88/06/192298806.db2.gz HGGWOFVAZRJQFW-PSASIEDQSA-N 1 2 236.319 1.027 20 0 BDADLO c1c(C[N@@H+]2CC[C@]23CCOC3)nc2ccccn12 ZINC000421009553 192300082 /nfs/dbraw/zinc/30/00/82/192300082.db2.gz BRTHUKDAKKWUQN-CQSZACIVSA-N 1 2 243.310 1.699 20 0 BDADLO c1c(C[N@H+]2CC[C@]23CCOC3)nc2ccccn12 ZINC000421009553 192300084 /nfs/dbraw/zinc/30/00/84/192300084.db2.gz BRTHUKDAKKWUQN-CQSZACIVSA-N 1 2 243.310 1.699 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000623299093 356556436 /nfs/dbraw/zinc/55/64/36/356556436.db2.gz QEVLUJVJSBZGMA-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1COCC[C@H]1c1noc(C[NH+](C)C)n1 ZINC000350587269 366303628 /nfs/dbraw/zinc/30/36/28/366303628.db2.gz FTSSAWZMYQWOSR-DTWKUNHWSA-N 1 2 225.292 1.271 20 0 BDADLO C[C@H]1COCC[C@@H]1c1noc(C[NH+](C)C)n1 ZINC000350587270 366303860 /nfs/dbraw/zinc/30/38/60/366303860.db2.gz FTSSAWZMYQWOSR-IUCAKERBSA-N 1 2 225.292 1.271 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CC[C@]23CCOC3)n1 ZINC000421030662 192309515 /nfs/dbraw/zinc/30/95/15/192309515.db2.gz YZDKGWLNEAFMJO-CYBMUJFWSA-N 1 2 235.331 1.829 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CC[C@]23CCOC3)n1 ZINC000421030662 192309518 /nfs/dbraw/zinc/30/95/18/192309518.db2.gz YZDKGWLNEAFMJO-CYBMUJFWSA-N 1 2 235.331 1.829 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000336215211 134135981 /nfs/dbraw/zinc/13/59/81/134135981.db2.gz COSYBKMSOCJVMK-SNVBAGLBSA-N 1 2 212.272 1.139 20 0 BDADLO O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)c1ccccc1F ZINC000639651942 356562830 /nfs/dbraw/zinc/56/28/30/356562830.db2.gz CNHBMPIXJSLKBT-GDNZZTSVSA-N 1 2 249.285 1.179 20 0 BDADLO O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)c1ccccc1F ZINC000639651942 356562834 /nfs/dbraw/zinc/56/28/34/356562834.db2.gz CNHBMPIXJSLKBT-GDNZZTSVSA-N 1 2 249.285 1.179 20 0 BDADLO CC[N@H+](CC(=O)c1ccccc1F)[C@H](C)CO ZINC000639651816 356563054 /nfs/dbraw/zinc/56/30/54/356563054.db2.gz ILSIDJCPAXLZMX-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO CC[N@@H+](CC(=O)c1ccccc1F)[C@H](C)CO ZINC000639651816 356563056 /nfs/dbraw/zinc/56/30/56/356563056.db2.gz ILSIDJCPAXLZMX-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccccn1 ZINC000639671909 356588343 /nfs/dbraw/zinc/58/83/43/356588343.db2.gz UEKKASZJHWGBPY-UWVGGRQHSA-N 1 2 249.339 1.210 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)Nc1ccccn1 ZINC000639671909 356588345 /nfs/dbraw/zinc/58/83/45/356588345.db2.gz UEKKASZJHWGBPY-UWVGGRQHSA-N 1 2 249.339 1.210 20 0 BDADLO CC(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000639658068 356574018 /nfs/dbraw/zinc/57/40/18/356574018.db2.gz FMWXHZZDOMBFBU-LBPRGKRZSA-N 1 2 211.305 1.466 20 0 BDADLO CC(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000639658068 356574019 /nfs/dbraw/zinc/57/40/19/356574019.db2.gz FMWXHZZDOMBFBU-LBPRGKRZSA-N 1 2 211.305 1.466 20 0 BDADLO O=C(CC(F)(F)F)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302084 356578372 /nfs/dbraw/zinc/57/83/72/356578372.db2.gz ZOYDWGMEPPTEOS-SSDOTTSWSA-N 1 2 247.220 1.267 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302464 356581923 /nfs/dbraw/zinc/58/19/23/356581923.db2.gz HGGICIDIKZFENF-QNCMIEPLSA-N 1 2 245.326 1.837 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1=CCCCC1 ZINC000623303039 356584821 /nfs/dbraw/zinc/58/48/21/356584821.db2.gz UXRKJMMUVUIZHM-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC(=O)CC12CCC2 ZINC000639671617 356587293 /nfs/dbraw/zinc/58/72/93/356587293.db2.gz AUGMUVQRTBHGNV-UHFFFAOYSA-N 1 2 245.326 1.873 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC(=O)CC12CCC2 ZINC000639671617 356587295 /nfs/dbraw/zinc/58/72/95/356587295.db2.gz AUGMUVQRTBHGNV-UHFFFAOYSA-N 1 2 245.326 1.873 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623307559 356611624 /nfs/dbraw/zinc/61/16/24/356611624.db2.gz JETWZHRFLVVMOI-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO CCC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623307845 356614723 /nfs/dbraw/zinc/61/47/23/356614723.db2.gz PCEJBDMEUAWKTR-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305637 356600696 /nfs/dbraw/zinc/60/06/96/356600696.db2.gz WWPHXGHLXMFIQT-WDEREUQCSA-N 1 2 235.331 1.606 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[C@@H]1C)CC2 ZINC000627213931 363509582 /nfs/dbraw/zinc/50/95/82/363509582.db2.gz TXKMWWRZVGVBQA-MVWJERBFSA-N 1 2 247.342 1.669 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CC=CC1 ZINC000623306057 356606476 /nfs/dbraw/zinc/60/64/76/356606476.db2.gz FYWQQMKSHLHREF-LLVKDONJSA-N 1 2 231.299 1.280 20 0 BDADLO CNc1nc(N[C@H](C)C2CC2)[nH+]c2ccccc21 ZINC000450239350 202103578 /nfs/dbraw/zinc/10/35/78/202103578.db2.gz AFQCPNVZJNXDDK-SECBINFHSA-N 1 2 242.326 1.726 20 0 BDADLO C[C@H](C[N@H+](C)Cc1ccccc1)S(C)(=O)=O ZINC000450237223 202105144 /nfs/dbraw/zinc/10/51/44/202105144.db2.gz KIJJRUUEWPKOKP-LLVKDONJSA-N 1 2 241.356 1.552 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1ccccc1)S(C)(=O)=O ZINC000450237223 202105148 /nfs/dbraw/zinc/10/51/48/202105148.db2.gz KIJJRUUEWPKOKP-LLVKDONJSA-N 1 2 241.356 1.552 20 0 BDADLO CN(C)c1nc(NCC2CC2)[nH+]c2ccccc21 ZINC000450244303 202106098 /nfs/dbraw/zinc/10/60/98/202106098.db2.gz PNBWAUBPDFJHOI-UHFFFAOYSA-N 1 2 242.326 1.940 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)C1(CO)CC1 ZINC000630095061 363545325 /nfs/dbraw/zinc/54/53/25/363545325.db2.gz QRGGHQUZRWGDAV-SECBINFHSA-N 1 2 222.288 1.147 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@](C)(CCC)C(=O)OC ZINC000450417354 202159650 /nfs/dbraw/zinc/15/96/50/202159650.db2.gz JCQDSQVLNSKQDD-JQWIXIFHSA-N 1 2 231.336 1.469 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000054172082 363564378 /nfs/dbraw/zinc/56/43/78/363564378.db2.gz YNMMRAWALIAZNR-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000054172082 363564382 /nfs/dbraw/zinc/56/43/82/363564382.db2.gz YNMMRAWALIAZNR-NSHDSACASA-N 1 2 249.310 1.694 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)o1 ZINC000639776540 356718369 /nfs/dbraw/zinc/71/83/69/356718369.db2.gz BYXMIWGNUKUIJB-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)o1 ZINC000639776540 356718373 /nfs/dbraw/zinc/71/83/73/356718373.db2.gz BYXMIWGNUKUIJB-SNVBAGLBSA-N 1 2 233.275 1.438 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n[nH]1 ZINC000639776697 356722722 /nfs/dbraw/zinc/72/27/22/356722722.db2.gz DPXPKAZWJWCLPQ-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n[nH]1 ZINC000639776697 356722725 /nfs/dbraw/zinc/72/27/25/356722725.db2.gz DPXPKAZWJWCLPQ-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639779185 356725787 /nfs/dbraw/zinc/72/57/87/356725787.db2.gz YWSRDFBWVWUNGI-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639779185 356725788 /nfs/dbraw/zinc/72/57/88/356725788.db2.gz YWSRDFBWVWUNGI-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OC ZINC000384714759 356728575 /nfs/dbraw/zinc/72/85/75/356728575.db2.gz HBRKSVRQOKQZHB-WHOHXGKFSA-N 1 2 243.347 1.874 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NCC(F)F)C(C)(C)CO ZINC000639772395 356712351 /nfs/dbraw/zinc/71/23/51/356712351.db2.gz NPOXIFAHYYDKAF-SECBINFHSA-N 1 2 247.289 1.334 20 0 BDADLO Cn1ccnc1[C@@H]([NH2+]CCF)C(C)(C)CO ZINC000639773470 356713119 /nfs/dbraw/zinc/71/31/19/356713119.db2.gz VEGYXNSJCZPGLM-SECBINFHSA-N 1 2 229.299 1.039 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000054343894 363567630 /nfs/dbraw/zinc/56/76/30/363567630.db2.gz AZWNCVQOEFNBQR-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000054343894 363567633 /nfs/dbraw/zinc/56/76/33/363567633.db2.gz AZWNCVQOEFNBQR-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C(F)F)CC2)[nH]1 ZINC000354822740 356744460 /nfs/dbraw/zinc/74/44/60/356744460.db2.gz WFECAEZPXSQPPR-UHFFFAOYSA-N 1 2 244.289 1.844 20 0 BDADLO CCc1nnc(C[NH+]2CCC(CC)CC2)[nH]1 ZINC000354821346 356744656 /nfs/dbraw/zinc/74/46/56/356744656.db2.gz SNSPMODWPZPBPY-UHFFFAOYSA-N 1 2 222.336 1.989 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000450469317 202174582 /nfs/dbraw/zinc/17/45/82/202174582.db2.gz QUJAJZGVFKCWNX-UHFFFAOYSA-N 1 2 238.331 1.052 20 0 BDADLO CCC(=O)CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000450469317 202174586 /nfs/dbraw/zinc/17/45/86/202174586.db2.gz QUJAJZGVFKCWNX-UHFFFAOYSA-N 1 2 238.331 1.052 20 0 BDADLO CSCC[N@H+](C)[C@H](C)c1csnn1 ZINC000450493717 202184195 /nfs/dbraw/zinc/18/41/95/202184195.db2.gz FXQFRGCZPJYLHT-SSDOTTSWSA-N 1 2 217.363 1.894 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)c1csnn1 ZINC000450493717 202184196 /nfs/dbraw/zinc/18/41/96/202184196.db2.gz FXQFRGCZPJYLHT-SSDOTTSWSA-N 1 2 217.363 1.894 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000639834711 356824224 /nfs/dbraw/zinc/82/42/24/356824224.db2.gz YMPUURKGXLLWBO-OAHLLOKOSA-N 1 2 247.338 1.980 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000639834711 356824227 /nfs/dbraw/zinc/82/42/27/356824227.db2.gz YMPUURKGXLLWBO-OAHLLOKOSA-N 1 2 247.338 1.980 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000639835314 356825546 /nfs/dbraw/zinc/82/55/46/356825546.db2.gz FQBATYYSYKHWPI-CYBMUJFWSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCO1 ZINC000639835314 356825548 /nfs/dbraw/zinc/82/55/48/356825548.db2.gz FQBATYYSYKHWPI-CYBMUJFWSA-N 1 2 247.298 1.368 20 0 BDADLO CO[C@H]1C[N@H+](CCc2ccccc2F)CCO1 ZINC000639838230 356828444 /nfs/dbraw/zinc/82/84/44/356828444.db2.gz PAMFCLPDTILFHX-CYBMUJFWSA-N 1 2 239.290 1.673 20 0 BDADLO CO[C@H]1C[N@@H+](CCc2ccccc2F)CCO1 ZINC000639838230 356828448 /nfs/dbraw/zinc/82/84/48/356828448.db2.gz PAMFCLPDTILFHX-CYBMUJFWSA-N 1 2 239.290 1.673 20 0 BDADLO CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114471632 356830121 /nfs/dbraw/zinc/83/01/21/356830121.db2.gz MZAXKBCQFHBRAT-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114471632 356830123 /nfs/dbraw/zinc/83/01/23/356830123.db2.gz MZAXKBCQFHBRAT-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2ccns2)C1=O ZINC000639809361 356782689 /nfs/dbraw/zinc/78/26/89/356782689.db2.gz SFBDZDUDAAIOMW-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000639809361 356782694 /nfs/dbraw/zinc/78/26/94/356782694.db2.gz SFBDZDUDAAIOMW-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000639864193 356874422 /nfs/dbraw/zinc/87/44/22/356874422.db2.gz DRCXODBABDVDGR-NSHDSACASA-N 1 2 229.226 1.177 20 0 BDADLO Cn1c[nH+]c(CN2CCC[C@@H]2c2ncccn2)c1 ZINC000639864341 356875478 /nfs/dbraw/zinc/87/54/78/356875478.db2.gz CKFVHFQOEZUSBP-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1[nH]cc[nH+]1 ZINC000353450601 538744261 /nfs/dbraw/zinc/74/42/61/538744261.db2.gz UQNPRJHWJPXFGC-MWLCHTKSSA-N 1 2 244.298 1.287 20 0 BDADLO CC(C)c1nc(NCC[C@H](C)CCO)cc[nH+]1 ZINC000450559092 202197677 /nfs/dbraw/zinc/19/76/77/202197677.db2.gz FZTKYHSRMTTWKI-NSHDSACASA-N 1 2 237.347 1.842 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000450557262 202197727 /nfs/dbraw/zinc/19/77/27/202197727.db2.gz VZFGSNHELHXDML-GFCCVEGCSA-N 1 2 243.314 1.491 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000450557262 202197730 /nfs/dbraw/zinc/19/77/30/202197730.db2.gz VZFGSNHELHXDML-GFCCVEGCSA-N 1 2 243.314 1.491 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000450557262 202197733 /nfs/dbraw/zinc/19/77/33/202197733.db2.gz VZFGSNHELHXDML-GFCCVEGCSA-N 1 2 243.314 1.491 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000450557262 202197734 /nfs/dbraw/zinc/19/77/34/202197734.db2.gz VZFGSNHELHXDML-GFCCVEGCSA-N 1 2 243.314 1.491 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000450557262 202197737 /nfs/dbraw/zinc/19/77/37/202197737.db2.gz VZFGSNHELHXDML-GFCCVEGCSA-N 1 2 243.314 1.491 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000450557262 202197739 /nfs/dbraw/zinc/19/77/39/202197739.db2.gz VZFGSNHELHXDML-GFCCVEGCSA-N 1 2 243.314 1.491 20 0 BDADLO CC[N@H+](Cc1ncc(C)n1C)[C@@H]1CCOC1 ZINC000361254606 356923458 /nfs/dbraw/zinc/92/34/58/356923458.db2.gz ZRNBBNSIDLFNCG-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC[N@@H+](Cc1ncc(C)n1C)[C@@H]1CCOC1 ZINC000361254606 356923460 /nfs/dbraw/zinc/92/34/60/356923460.db2.gz ZRNBBNSIDLFNCG-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CCN(Cc1[nH+]cc(C)n1C)[C@@H]1CCOC1 ZINC000361254606 356923462 /nfs/dbraw/zinc/92/34/62/356923462.db2.gz ZRNBBNSIDLFNCG-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+][C@H](C)c1ncn(C)n1 ZINC000361334064 356928610 /nfs/dbraw/zinc/92/86/10/356928610.db2.gz FPUCBDGAIOZPFU-MNOVXSKESA-N 1 2 240.351 1.263 20 0 BDADLO CCc1nc(CNc2nc(C)[nH+]c(C)c2C)n[nH]1 ZINC000450549375 202194419 /nfs/dbraw/zinc/19/44/19/202194419.db2.gz JXIKVAQERXLPOZ-UHFFFAOYSA-N 1 2 246.318 1.116 20 0 BDADLO CC(C)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000360110988 356902688 /nfs/dbraw/zinc/90/26/88/356902688.db2.gz QLIMXOOFZBUTRD-LBPRGKRZSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000360110988 356902691 /nfs/dbraw/zinc/90/26/91/356902691.db2.gz QLIMXOOFZBUTRD-LBPRGKRZSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCc2ncccc2C1 ZINC000367858356 356961311 /nfs/dbraw/zinc/96/13/11/356961311.db2.gz KFTATUAFDXOORA-UHFFFAOYSA-N 1 2 247.342 1.212 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCc2ncccc2C1 ZINC000367858356 356961316 /nfs/dbraw/zinc/96/13/16/356961316.db2.gz KFTATUAFDXOORA-UHFFFAOYSA-N 1 2 247.342 1.212 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ncc[nH]1 ZINC000353610909 538753375 /nfs/dbraw/zinc/75/33/75/538753375.db2.gz BHTSRFPNSUVTTH-SECBINFHSA-N 1 2 246.318 1.117 20 0 BDADLO C[C@@H](NCc1ccnc(N(C)C)n1)c1[nH]cc[nH+]1 ZINC000353610909 538753379 /nfs/dbraw/zinc/75/33/79/538753379.db2.gz BHTSRFPNSUVTTH-SECBINFHSA-N 1 2 246.318 1.117 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639873765 357049302 /nfs/dbraw/zinc/04/93/02/357049302.db2.gz VCHSRSWWJKMQNZ-NSHDSACASA-N 1 2 229.287 1.537 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639873765 357049304 /nfs/dbraw/zinc/04/93/04/357049304.db2.gz VCHSRSWWJKMQNZ-NSHDSACASA-N 1 2 229.287 1.537 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H](OC)CC2)no1 ZINC000371731042 357049638 /nfs/dbraw/zinc/04/96/38/357049638.db2.gz BWMJCSIXTNLZMF-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H](OC)CC2)no1 ZINC000371731042 357049643 /nfs/dbraw/zinc/04/96/43/357049643.db2.gz BWMJCSIXTNLZMF-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO Cc1nc(N[C@@H](C)c2cncs2)cc[nH+]1 ZINC000389869373 357056783 /nfs/dbraw/zinc/05/67/83/357056783.db2.gz INEDXBGUBVDABI-ZETCQYMHSA-N 1 2 220.301 1.837 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCCCO1 ZINC000582311675 357051660 /nfs/dbraw/zinc/05/16/60/357051660.db2.gz UENFKAZJCWUFLP-JTQLQIEISA-N 1 2 237.303 1.088 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2cocn2)cn1 ZINC000390757507 357115023 /nfs/dbraw/zinc/11/50/23/357115023.db2.gz JCGLXYFNVBPHQX-UHFFFAOYSA-N 1 2 220.276 1.433 20 0 BDADLO COc1ccccc1C(=O)NCc1c[nH+]cn1C ZINC000355253325 538792016 /nfs/dbraw/zinc/79/20/16/538792016.db2.gz MMLBTPYGPPDZPO-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO C[C@@H](Cc1ccsc1)[NH2+]CC(F)(F)CO ZINC000389889626 357062019 /nfs/dbraw/zinc/06/20/19/357062019.db2.gz UWZXPDINAWOWIA-QMMMGPOBSA-N 1 2 235.299 1.896 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000582334594 357069723 /nfs/dbraw/zinc/06/97/23/357069723.db2.gz LODNOIRLXHWSLK-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C12CC(C1)C2 ZINC000626521897 357172146 /nfs/dbraw/zinc/17/21/46/357172146.db2.gz PSRUPWVUXLTSOL-RUETXSTFSA-N 1 2 231.299 1.114 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000026461057 357135868 /nfs/dbraw/zinc/13/58/68/357135868.db2.gz DOWNXKCJMCGSJR-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000026461057 357135875 /nfs/dbraw/zinc/13/58/75/357135875.db2.gz DOWNXKCJMCGSJR-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO c1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000026461057 357135878 /nfs/dbraw/zinc/13/58/78/357135878.db2.gz DOWNXKCJMCGSJR-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO O=c1[nH]nc(C[NH2+][C@H]2CC3CCC2CC3)[nH]1 ZINC000392385761 357150674 /nfs/dbraw/zinc/15/06/74/357150674.db2.gz PQLUZGKAGJXCKG-HACHORDNSA-N 1 2 222.292 1.179 20 0 BDADLO CCc1nc(CN2CCC[C@H]2c2[nH]cc[nH+]2)no1 ZINC000375002262 357171567 /nfs/dbraw/zinc/17/15/67/357171567.db2.gz BXHMQGSZCRMYTO-VIFPVBQESA-N 1 2 247.302 1.692 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000639893853 357227992 /nfs/dbraw/zinc/22/79/92/357227992.db2.gz LXRWEZKONCZJPL-OCAPTIKFSA-N 1 2 220.263 1.227 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000639893853 357227996 /nfs/dbraw/zinc/22/79/96/357227996.db2.gz LXRWEZKONCZJPL-OCAPTIKFSA-N 1 2 220.263 1.227 20 0 BDADLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C(F)(F)F ZINC000356421898 538810955 /nfs/dbraw/zinc/81/09/55/538810955.db2.gz PPBFZXBWQCYRIA-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(F)(F)F ZINC000356421898 538810962 /nfs/dbraw/zinc/81/09/62/538810962.db2.gz PPBFZXBWQCYRIA-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610212608 357281215 /nfs/dbraw/zinc/28/12/15/357281215.db2.gz PZHKXWYHOLGXIJ-GFCCVEGCSA-N 1 2 235.283 1.702 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610212608 357281219 /nfs/dbraw/zinc/28/12/19/357281219.db2.gz PZHKXWYHOLGXIJ-GFCCVEGCSA-N 1 2 235.283 1.702 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610212614 357281686 /nfs/dbraw/zinc/28/16/86/357281686.db2.gz PZHKXWYHOLGXIJ-LBPRGKRZSA-N 1 2 235.283 1.702 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610212614 357281688 /nfs/dbraw/zinc/28/16/88/357281688.db2.gz PZHKXWYHOLGXIJ-LBPRGKRZSA-N 1 2 235.283 1.702 20 0 BDADLO CO[C@H]1CCN(c2nc(C)[nH+]cc2C)C[C@H]1C ZINC000583703869 357283276 /nfs/dbraw/zinc/28/32/76/357283276.db2.gz MOOSYHBHGVCASH-PWSUYJOCSA-N 1 2 235.331 1.955 20 0 BDADLO Cc1cc(NC(=O)N2OC3CCC2CC3)cc[nH+]1 ZINC000639900611 357285256 /nfs/dbraw/zinc/28/52/56/357285256.db2.gz NFNNKQDGUVNZLJ-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO Cc1cc(NC(=O)N(C)c2cnn(C)c2)cc[nH+]1 ZINC000639901216 357287058 /nfs/dbraw/zinc/28/70/58/357287058.db2.gz WKKLHLYAERSWAU-UHFFFAOYSA-N 1 2 245.286 1.214 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+]Cc1[nH]ncc1Br ZINC000393713470 357293270 /nfs/dbraw/zinc/29/32/70/357293270.db2.gz CIBPDHIYZGFZGJ-RQJHMYQMSA-N 1 2 244.136 1.918 20 0 BDADLO CC1(C)CC(CNc2nc[nH+]c(N)c2Cl)C1 ZINC000393787969 357299371 /nfs/dbraw/zinc/29/93/71/357299371.db2.gz ZMOCXESIGWASMQ-UHFFFAOYSA-N 1 2 240.738 1.982 20 0 BDADLO CC1(C)CC(CNc2[nH+]cnc(N)c2Cl)C1 ZINC000393787969 357299376 /nfs/dbraw/zinc/29/93/76/357299376.db2.gz ZMOCXESIGWASMQ-UHFFFAOYSA-N 1 2 240.738 1.982 20 0 BDADLO NC(=O)c1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000628426652 357255265 /nfs/dbraw/zinc/25/52/65/357255265.db2.gz DLAGFHKWOOKUSJ-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO Cn1ccc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000628427099 357256019 /nfs/dbraw/zinc/25/60/19/357256019.db2.gz GAZXBRYJOAIXMZ-UHFFFAOYSA-N 1 2 206.289 1.390 20 0 BDADLO Cc1c(C[NH+]2CC3(C2)CCCO3)cnn1C ZINC000628427250 357256975 /nfs/dbraw/zinc/25/69/75/357256975.db2.gz PAKGBYKEOLRWDC-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC3(C2)CCCO3)c1C ZINC000628427190 357257042 /nfs/dbraw/zinc/25/70/42/357257042.db2.gz LKVFMLXJSHJSNU-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO CCn1ccnc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583698697 357272723 /nfs/dbraw/zinc/27/27/23/357272723.db2.gz LVHPUJYAEPRFEY-JTQLQIEISA-N 1 2 247.302 1.689 20 0 BDADLO Cn1cncc1CNc1[nH+]c2ccccc2n1C ZINC000357601940 538832144 /nfs/dbraw/zinc/83/21/44/538832144.db2.gz LVLIURJYOVJCSM-UHFFFAOYSA-N 1 2 241.298 1.341 20 0 BDADLO C[C@H](CC(=O)N1CC(=O)CC1(C)C)n1cc[nH+]c1 ZINC000582611203 357351325 /nfs/dbraw/zinc/35/13/25/357351325.db2.gz RGVHFKUAXKNVLB-SNVBAGLBSA-N 1 2 249.314 1.414 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000582639743 357351553 /nfs/dbraw/zinc/35/15/53/357351553.db2.gz DCDGFCQDIABBKB-ZYHUDNBSSA-N 1 2 235.331 1.515 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000582670141 357359639 /nfs/dbraw/zinc/35/96/39/357359639.db2.gz OHILGQFIISOTRT-ZETCQYMHSA-N 1 2 249.286 1.660 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000582670141 357359642 /nfs/dbraw/zinc/35/96/42/357359642.db2.gz OHILGQFIISOTRT-ZETCQYMHSA-N 1 2 249.286 1.660 20 0 BDADLO CCCc1nc(C[NH+]2CCC(OC)CC2)no1 ZINC000054983955 363582622 /nfs/dbraw/zinc/58/26/22/363582622.db2.gz NYXHCIJHZLIYDF-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@@H](CC(=O)N(C)[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000582789424 357396162 /nfs/dbraw/zinc/39/61/62/357396162.db2.gz YYXBEJHSKZAMAD-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1cc(NC(=O)N2CCO[C@H](C)C2)c(C)c[nH+]1 ZINC000582888351 357431590 /nfs/dbraw/zinc/43/15/90/357431590.db2.gz SLLJUMOXWJHLIQ-LLVKDONJSA-N 1 2 249.314 1.373 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC1(O)CCC1)C(C)C ZINC000396777896 357483720 /nfs/dbraw/zinc/48/37/20/357483720.db2.gz CZARTHWZURSNLG-JTQLQIEISA-N 1 2 229.320 1.079 20 0 BDADLO Cc1cc(N2CCC[C@@](C)(O)CC2)nc[nH+]1 ZINC000230373362 357530502 /nfs/dbraw/zinc/53/05/02/357530502.db2.gz WYZNFWANQNHKKY-GFCCVEGCSA-N 1 2 221.304 1.526 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000188527275 357558631 /nfs/dbraw/zinc/55/86/31/357558631.db2.gz MWAVWXBNWPVQBM-JQWIXIFHSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000188527275 357558635 /nfs/dbraw/zinc/55/86/35/357558635.db2.gz MWAVWXBNWPVQBM-JQWIXIFHSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1nnnn1C ZINC000189922907 357676842 /nfs/dbraw/zinc/67/68/42/357676842.db2.gz XGAGZAGTJQSZHJ-RKDXNWHRSA-N 1 2 232.291 1.017 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000189389770 357636406 /nfs/dbraw/zinc/63/64/06/357636406.db2.gz QXVHRHRBCDQZPA-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000189389770 357636408 /nfs/dbraw/zinc/63/64/08/357636408.db2.gz QXVHRHRBCDQZPA-GFCCVEGCSA-N 1 2 236.290 1.832 20 0 BDADLO CCc1nn(C)cc1C[NH2+]CC(F)F ZINC000160233198 538883607 /nfs/dbraw/zinc/88/36/07/538883607.db2.gz DWQVHUGQKOZJRW-UHFFFAOYSA-N 1 2 203.236 1.337 20 0 BDADLO CCOC(=O)C[N@H+](CCOCC(C)C)C1CC1 ZINC000233695860 357732957 /nfs/dbraw/zinc/73/29/57/357732957.db2.gz QBAHQQLHJRGHBR-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@@H+](CCOCC(C)C)C1CC1 ZINC000233695860 357732958 /nfs/dbraw/zinc/73/29/58/357732958.db2.gz QBAHQQLHJRGHBR-UHFFFAOYSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)OC ZINC000191095713 357749342 /nfs/dbraw/zinc/74/93/42/357749342.db2.gz NPSYWBPXQLYPHR-QCNOEVLYSA-N 1 2 243.347 1.731 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CS[C@H](C)C1 ZINC000397865010 357756135 /nfs/dbraw/zinc/75/61/35/357756135.db2.gz QCRIUTWFKCEBRI-RQJHMYQMSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CS[C@H](C)C1 ZINC000397865010 357756137 /nfs/dbraw/zinc/75/61/37/357756137.db2.gz QCRIUTWFKCEBRI-RQJHMYQMSA-N 1 2 240.332 1.373 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOCC1(C)C ZINC000064247723 357762862 /nfs/dbraw/zinc/76/28/62/357762862.db2.gz SBUZJFPKOFUSQU-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOCC1(C)C ZINC000064247723 357762864 /nfs/dbraw/zinc/76/28/64/357762864.db2.gz SBUZJFPKOFUSQU-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cccnc1)C1CC1 ZINC000234564498 357812573 /nfs/dbraw/zinc/81/25/73/357812573.db2.gz UPPWNRYOPBRVBG-GFCCVEGCSA-N 1 2 234.299 1.165 20 0 BDADLO CCC(CC)C[N@@H+]1CC[C@@H](C)S(=O)(=O)CC1 ZINC000192048762 357814904 /nfs/dbraw/zinc/81/49/04/357814904.db2.gz WRQGLUJIXKLPKB-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO CCC(CC)C[N@H+]1CC[C@@H](C)S(=O)(=O)CC1 ZINC000192048762 357814907 /nfs/dbraw/zinc/81/49/07/357814907.db2.gz WRQGLUJIXKLPKB-LLVKDONJSA-N 1 2 247.404 1.932 20 0 BDADLO c1cn2c(cccc2CNc2cnccn2)[nH+]1 ZINC000192152099 357825379 /nfs/dbraw/zinc/82/53/79/357825379.db2.gz GJYYVPHMKPZTRB-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000191675122 357783333 /nfs/dbraw/zinc/78/33/33/357783333.db2.gz JOIFGUOEDWPSCX-JLLWLGSASA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000191675122 357783337 /nfs/dbraw/zinc/78/33/37/357783337.db2.gz JOIFGUOEDWPSCX-JLLWLGSASA-N 1 2 249.314 1.183 20 0 BDADLO COc1ccc[nH+]c1NCc1ncoc1C ZINC000397894867 357786784 /nfs/dbraw/zinc/78/67/84/357786784.db2.gz IBYVITZATPASRU-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925712 357830102 /nfs/dbraw/zinc/83/01/02/357830102.db2.gz CPFWWHLSULFNEM-KOLCDFICSA-N 1 2 236.315 1.926 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925712 357830106 /nfs/dbraw/zinc/83/01/06/357830106.db2.gz CPFWWHLSULFNEM-KOLCDFICSA-N 1 2 236.315 1.926 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nnn(C)n2)cs1 ZINC000398138111 357847987 /nfs/dbraw/zinc/84/79/87/357847987.db2.gz YJQKPXSTXFLQMC-MRVPVSSYSA-N 1 2 237.332 1.431 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000064517897 357849968 /nfs/dbraw/zinc/84/99/68/357849968.db2.gz RPMGIJSBOPCFKM-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCOCC1(C)C ZINC000064517897 357849971 /nfs/dbraw/zinc/84/99/71/357849971.db2.gz RPMGIJSBOPCFKM-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@H]1c1ccco1 ZINC000639926419 357850603 /nfs/dbraw/zinc/85/06/03/357850603.db2.gz MPKDDOSANFNCKD-ONGXEEELSA-N 1 2 234.299 1.551 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)[C@H]1c1ccco1 ZINC000639926419 357850607 /nfs/dbraw/zinc/85/06/07/357850607.db2.gz MPKDDOSANFNCKD-ONGXEEELSA-N 1 2 234.299 1.551 20 0 BDADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCn2ccnc2C1 ZINC000218433308 357925366 /nfs/dbraw/zinc/92/53/66/357925366.db2.gz QZBQDIIHAXFAIX-NWDGAFQWSA-N 1 2 235.331 1.250 20 0 BDADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCn2ccnc2C1 ZINC000218433308 357925369 /nfs/dbraw/zinc/92/53/69/357925369.db2.gz QZBQDIIHAXFAIX-NWDGAFQWSA-N 1 2 235.331 1.250 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(C)(F)F ZINC000583762712 357938699 /nfs/dbraw/zinc/93/86/99/357938699.db2.gz DOPPINPGJFCUQW-SFYZADRCSA-N 1 2 245.273 1.748 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(C)(F)F ZINC000583762712 357938701 /nfs/dbraw/zinc/93/87/01/357938701.db2.gz DOPPINPGJFCUQW-SFYZADRCSA-N 1 2 245.273 1.748 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCc1cccnc1)C1CC1 ZINC000610504235 357957472 /nfs/dbraw/zinc/95/74/72/357957472.db2.gz DVPBKXVIYQAMNX-CQSZACIVSA-N 1 2 248.326 1.555 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1CC ZINC000404094443 357969549 /nfs/dbraw/zinc/96/95/49/357969549.db2.gz FMUZPROTSDLZMY-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000404094443 357969551 /nfs/dbraw/zinc/96/95/51/357969551.db2.gz FMUZPROTSDLZMY-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(O)cc1 ZINC000610560153 357987431 /nfs/dbraw/zinc/98/74/31/357987431.db2.gz IPLLTSLUNGAGLO-SNVBAGLBSA-N 1 2 237.299 1.776 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(O)cc1 ZINC000610560153 357987433 /nfs/dbraw/zinc/98/74/33/357987433.db2.gz IPLLTSLUNGAGLO-SNVBAGLBSA-N 1 2 237.299 1.776 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc(CC)[nH+]cn1 ZINC000610587916 358005220 /nfs/dbraw/zinc/00/52/20/358005220.db2.gz BTOZNUWLHQDVOV-SECBINFHSA-N 1 2 237.303 1.072 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000628457513 358016350 /nfs/dbraw/zinc/01/63/50/358016350.db2.gz AIJOHLPNSXPJKW-LLVKDONJSA-N 1 2 213.252 1.840 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000628457513 358016354 /nfs/dbraw/zinc/01/63/54/358016354.db2.gz AIJOHLPNSXPJKW-LLVKDONJSA-N 1 2 213.252 1.840 20 0 BDADLO COc1ccnc(C[N@H+](C)Cc2c[nH]nc2C)c1 ZINC000639969968 358023355 /nfs/dbraw/zinc/02/33/55/358023355.db2.gz JLZZOXONVIOKEM-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1ccnc(C[N@@H+](C)Cc2c[nH]nc2C)c1 ZINC000639969968 358023358 /nfs/dbraw/zinc/02/33/58/358023358.db2.gz JLZZOXONVIOKEM-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640001868 358037694 /nfs/dbraw/zinc/03/76/94/358037694.db2.gz DXGWQYDMCRBZGH-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640001868 358037697 /nfs/dbraw/zinc/03/76/97/358037697.db2.gz DXGWQYDMCRBZGH-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639972516 358031453 /nfs/dbraw/zinc/03/14/53/358031453.db2.gz UIQWIKPUHMXYII-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639972516 358031456 /nfs/dbraw/zinc/03/14/56/358031456.db2.gz UIQWIKPUHMXYII-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2c[nH]nc2C)n1 ZINC000639972157 358031606 /nfs/dbraw/zinc/03/16/06/358031606.db2.gz MYZLDYJWQHIJSO-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2c[nH]nc2C)n1 ZINC000639972157 358031607 /nfs/dbraw/zinc/03/16/07/358031607.db2.gz MYZLDYJWQHIJSO-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO CC(C)OC(=O)CC[NH+]1CCN(C2CC2)CC1 ZINC000075673746 325306396 /nfs/dbraw/zinc/30/63/96/325306396.db2.gz WMKJHUARXBMRQU-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(CC2CC2)no1 ZINC000350417975 358058940 /nfs/dbraw/zinc/05/89/40/358058940.db2.gz BGRCARRUTFNHNS-UHFFFAOYSA-N 1 2 218.260 1.346 20 0 BDADLO Cc1cnn(C)c1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583877225 358097804 /nfs/dbraw/zinc/09/78/04/358097804.db2.gz ATYFWYQYALHXJU-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cscn2)CCCO1 ZINC000170771052 134253383 /nfs/dbraw/zinc/25/33/83/134253383.db2.gz BBFNVHNOJKUINJ-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cscn2)CCCO1 ZINC000170771052 134253384 /nfs/dbraw/zinc/25/33/84/134253384.db2.gz BBFNVHNOJKUINJ-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](CCF)C2)[nH+]c1C ZINC000628459025 358093648 /nfs/dbraw/zinc/09/36/48/358093648.db2.gz JZGYJCKMHSPHRN-LLVKDONJSA-N 1 2 241.310 1.587 20 0 BDADLO CCC[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584628117 358116114 /nfs/dbraw/zinc/11/61/14/358116114.db2.gz NMIHBLQSAMVPRR-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CCCCC2 ZINC000584673515 358147497 /nfs/dbraw/zinc/14/74/97/358147497.db2.gz LZRLTXKMBSZVII-GFCCVEGCSA-N 1 2 247.342 1.802 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ncccc1O ZINC000584681567 358150695 /nfs/dbraw/zinc/15/06/95/358150695.db2.gz IZXFIMJESVJQCM-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ncccc1O ZINC000584681567 358150698 /nfs/dbraw/zinc/15/06/98/358150698.db2.gz IZXFIMJESVJQCM-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000584698568 358153823 /nfs/dbraw/zinc/15/38/23/358153823.db2.gz PYUSMYBFTUBHQQ-UHFFFAOYSA-N 1 2 237.284 1.519 20 0 BDADLO Cc1cn2cc(NC(=O)C(C)(C)CO)ccc2[nH+]1 ZINC000584731238 358168157 /nfs/dbraw/zinc/16/81/57/358168157.db2.gz YAKBLLXQYMHAQS-UHFFFAOYSA-N 1 2 247.298 1.600 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@H]1C1CCC1 ZINC000584785761 358177760 /nfs/dbraw/zinc/17/77/60/358177760.db2.gz XOSOEPBCBGXACX-VHSXEESVSA-N 1 2 232.283 1.584 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000628464423 358180338 /nfs/dbraw/zinc/18/03/38/358180338.db2.gz VSQYNIJNAAOSJY-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000628464423 358180341 /nfs/dbraw/zinc/18/03/41/358180341.db2.gz VSQYNIJNAAOSJY-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000628464423 358180344 /nfs/dbraw/zinc/18/03/44/358180344.db2.gz VSQYNIJNAAOSJY-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCc2c(O)cccc2C1 ZINC000628464423 358180348 /nfs/dbraw/zinc/18/03/48/358180348.db2.gz VSQYNIJNAAOSJY-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1noc(C3CC3)n1)C2 ZINC000640079362 358181234 /nfs/dbraw/zinc/18/12/34/358181234.db2.gz XCHWYLHFTOSQOT-DVVUODLYSA-N 1 2 249.314 1.292 20 0 BDADLO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1noc(C3CC3)n1)C2 ZINC000640079362 358181236 /nfs/dbraw/zinc/18/12/36/358181236.db2.gz XCHWYLHFTOSQOT-DVVUODLYSA-N 1 2 249.314 1.292 20 0 BDADLO O[C@@H]1CC[N@H+](CC(F)F)[C@H]2CCCC[C@@H]12 ZINC000640094488 358185968 /nfs/dbraw/zinc/18/59/68/358185968.db2.gz GKMKJNOQLRDVJY-KXUCPTDWSA-N 1 2 219.275 1.877 20 0 BDADLO O[C@@H]1CC[N@@H+](CC(F)F)[C@H]2CCCC[C@@H]12 ZINC000640094488 358185970 /nfs/dbraw/zinc/18/59/70/358185970.db2.gz GKMKJNOQLRDVJY-KXUCPTDWSA-N 1 2 219.275 1.877 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1CCCC(=O)CC ZINC000450638418 202220457 /nfs/dbraw/zinc/22/04/57/202220457.db2.gz ITTRRDJPKHXTTE-LBPRGKRZSA-N 1 2 240.347 1.346 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCCC(=O)CC ZINC000450638418 202220458 /nfs/dbraw/zinc/22/04/58/202220458.db2.gz ITTRRDJPKHXTTE-LBPRGKRZSA-N 1 2 240.347 1.346 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(c2ncccn2)CC1(C)C ZINC000450648128 202225403 /nfs/dbraw/zinc/22/54/03/202225403.db2.gz OLDWOBDVEDZQEG-JTQLQIEISA-N 1 2 243.314 1.798 20 0 BDADLO CC[C@H]1[C@@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000450662079 202230005 /nfs/dbraw/zinc/23/00/05/202230005.db2.gz WFNBDQXSURUVQK-NEPJUHHUSA-N 1 2 247.342 1.951 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000450656576 202228269 /nfs/dbraw/zinc/22/82/69/202228269.db2.gz VUDDQBKXJAJHFH-MNOVXSKESA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000450656576 202228272 /nfs/dbraw/zinc/22/82/72/202228272.db2.gz VUDDQBKXJAJHFH-MNOVXSKESA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000450656576 202228275 /nfs/dbraw/zinc/22/82/75/202228275.db2.gz VUDDQBKXJAJHFH-MNOVXSKESA-N 1 2 238.335 1.493 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000450656576 202228278 /nfs/dbraw/zinc/22/82/78/202228278.db2.gz VUDDQBKXJAJHFH-MNOVXSKESA-N 1 2 238.335 1.493 20 0 BDADLO C[C@@H]1C[C@@H](c2noc(Cn3cc[nH+]c3)n2)CCO1 ZINC000584872943 358208106 /nfs/dbraw/zinc/20/81/06/358208106.db2.gz GVIHLBHVQVLNHW-ZJUUUORDSA-N 1 2 248.286 1.597 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000450634874 202221284 /nfs/dbraw/zinc/22/12/84/202221284.db2.gz IFHRIMLKMGNNQJ-RKDXNWHRSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)s1 ZINC000450634874 202221288 /nfs/dbraw/zinc/22/12/88/202221288.db2.gz IFHRIMLKMGNNQJ-RKDXNWHRSA-N 1 2 241.360 1.617 20 0 BDADLO CNC(=O)c1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000172147978 134262102 /nfs/dbraw/zinc/26/21/02/134262102.db2.gz UFLPJQAPJBEXRL-LLVKDONJSA-N 1 2 248.326 1.267 20 0 BDADLO CNC(=O)c1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000172147978 134262103 /nfs/dbraw/zinc/26/21/03/134262103.db2.gz UFLPJQAPJBEXRL-LLVKDONJSA-N 1 2 248.326 1.267 20 0 BDADLO CCC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348802950 535410369 /nfs/dbraw/zinc/41/03/69/535410369.db2.gz OUGLJVAPAGOJGE-SECBINFHSA-N 1 2 224.308 1.665 20 0 BDADLO CO[C@@H]1COCC[C@@H]1CNc1cccc[nH+]1 ZINC000450697344 202237797 /nfs/dbraw/zinc/23/77/97/202237797.db2.gz UVEHJVOZHXEJNF-GHMZBOCLSA-N 1 2 222.288 1.545 20 0 BDADLO Cc1cc(NC[C@H]2CCOC3(CCC3)C2)nc[nH+]1 ZINC000450713412 202242391 /nfs/dbraw/zinc/24/23/91/202242391.db2.gz GIQKNCZDFNLDFK-LBPRGKRZSA-N 1 2 247.342 1.968 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)[C@@H](C)CO)C(=O)OC(C)(C)C ZINC000450735482 202249845 /nfs/dbraw/zinc/24/98/45/202249845.db2.gz AWJPAZDZVSYJOQ-DCAQKATOSA-N 1 2 245.363 1.713 20 0 BDADLO CCc1cc(NCCC[C@H](C)CO)nc[nH+]1 ZINC000230146533 491127813 /nfs/dbraw/zinc/12/78/13/491127813.db2.gz DOKFVHVNUVUORI-JTQLQIEISA-N 1 2 223.320 1.860 20 0 BDADLO CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547540267 325371619 /nfs/dbraw/zinc/37/16/19/325371619.db2.gz SOOUZARCAKMPEC-UHFFFAOYSA-N 1 2 221.304 1.221 20 0 BDADLO CO[C@H]1CCN(c2cc(C)[nH+]cn2)C[C@H]1C ZINC000450770755 202260247 /nfs/dbraw/zinc/26/02/47/202260247.db2.gz IUUSJNWPJATPCP-KOLCDFICSA-N 1 2 221.304 1.646 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC(C)C)C(C)C ZINC000042223788 358343654 /nfs/dbraw/zinc/34/36/54/358343654.db2.gz QAYYSIZWQTTWEE-SNVBAGLBSA-N 1 2 217.309 1.199 20 0 BDADLO CN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042626707 358353299 /nfs/dbraw/zinc/35/32/99/358353299.db2.gz DBWKREMCYQXESK-UHFFFAOYSA-N 1 2 248.330 1.453 20 0 BDADLO CCc1nn(C)cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000227554862 358359668 /nfs/dbraw/zinc/35/96/68/358359668.db2.gz BPVPGDGVIIIUDF-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO Cc1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000043594443 358383597 /nfs/dbraw/zinc/38/35/97/358383597.db2.gz KADXKXBJJMLCAG-NSHDSACASA-N 1 2 215.256 1.613 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173847602 134277858 /nfs/dbraw/zinc/27/78/58/134277858.db2.gz YMBIEBDEPVKKQV-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173847602 134277859 /nfs/dbraw/zinc/27/78/59/134277859.db2.gz YMBIEBDEPVKKQV-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000042287041 358520912 /nfs/dbraw/zinc/52/09/12/358520912.db2.gz XXAOFAGHTJYNHP-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000042287041 358520915 /nfs/dbraw/zinc/52/09/15/358520915.db2.gz XXAOFAGHTJYNHP-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000044899422 358556983 /nfs/dbraw/zinc/55/69/83/358556983.db2.gz CBIZLUODWBZIAW-UHFFFAOYSA-N 1 2 244.298 1.684 20 0 BDADLO C[N@H+](CCO)Cc1nc(Cc2ccccc2)no1 ZINC000047953361 358607941 /nfs/dbraw/zinc/60/79/41/358607941.db2.gz DDPGTAANZNQXTD-UHFFFAOYSA-N 1 2 247.298 1.085 20 0 BDADLO C[N@@H+](CCO)Cc1nc(Cc2ccccc2)no1 ZINC000047953361 358607943 /nfs/dbraw/zinc/60/79/43/358607943.db2.gz DDPGTAANZNQXTD-UHFFFAOYSA-N 1 2 247.298 1.085 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC1CCOCC1 ZINC000129697390 358593461 /nfs/dbraw/zinc/59/34/61/358593461.db2.gz NCEVHADQXTUEEJ-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC1CCOCC1 ZINC000129697390 358593463 /nfs/dbraw/zinc/59/34/63/358593463.db2.gz NCEVHADQXTUEEJ-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO CNC(=O)CC1CC[NH+](Cc2ccon2)CC1 ZINC000175004489 134284025 /nfs/dbraw/zinc/28/40/25/134284025.db2.gz PSQIVXPVRXKRDY-UHFFFAOYSA-N 1 2 237.303 1.023 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(C)n1 ZINC000048623793 358645926 /nfs/dbraw/zinc/64/59/26/358645926.db2.gz NKVHARIXIKFLMJ-UHFFFAOYSA-N 1 2 244.298 1.325 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2n[nH]cc2c1 ZINC000049856744 358704763 /nfs/dbraw/zinc/70/47/63/358704763.db2.gz HIYVBOTXEVVYSE-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccco1 ZINC000049399454 358686120 /nfs/dbraw/zinc/68/61/20/358686120.db2.gz SIWKWIFSKKESFE-GHMZBOCLSA-N 1 2 245.282 1.396 20 0 BDADLO Cc1c[nH+]cc(NCc2csnn2)c1 ZINC000133509132 358758229 /nfs/dbraw/zinc/75/82/29/358758229.db2.gz KQJPRVOFEXSQLH-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1cncc(F)c1 ZINC000133685262 358763173 /nfs/dbraw/zinc/76/31/73/358763173.db2.gz LTAUBNXMCRFMSC-UHFFFAOYSA-N 1 2 233.202 1.574 20 0 BDADLO O=C(Cc1ccc(O)cc1)Nc1cc[nH+]cc1O ZINC000133699223 358763501 /nfs/dbraw/zinc/76/35/01/358763501.db2.gz JAIQDENSOADFRD-UHFFFAOYSA-N 1 2 244.250 1.674 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1nnc(CC)o1 ZINC000050067289 358712675 /nfs/dbraw/zinc/71/26/75/358712675.db2.gz PSFAJDQROQORHK-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1nnc(CC)o1 ZINC000050067289 358712678 /nfs/dbraw/zinc/71/26/78/358712678.db2.gz PSFAJDQROQORHK-UHFFFAOYSA-N 1 2 241.291 1.017 20 0 BDADLO CCCc1nc(C[N@H+](C)CCO)cs1 ZINC000050104595 358715655 /nfs/dbraw/zinc/71/56/55/358715655.db2.gz GNNOIYMYZKBLDK-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO CCCc1nc(C[N@@H+](C)CCO)cs1 ZINC000050104595 358715656 /nfs/dbraw/zinc/71/56/56/358715656.db2.gz GNNOIYMYZKBLDK-UHFFFAOYSA-N 1 2 214.334 1.520 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]2CO)no1 ZINC000050115651 358717420 /nfs/dbraw/zinc/71/74/20/358717420.db2.gz JCCBWBTXDWATDJ-SECBINFHSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]2CO)no1 ZINC000050115651 358717421 /nfs/dbraw/zinc/71/74/21/358717421.db2.gz JCCBWBTXDWATDJ-SECBINFHSA-N 1 2 239.319 1.324 20 0 BDADLO CCc1cc(C)c(C(=O)NCCn2cc[nH+]c2)o1 ZINC000134970962 358813974 /nfs/dbraw/zinc/81/39/74/358813974.db2.gz YAZKBUVOGLBGBD-UHFFFAOYSA-N 1 2 247.298 1.777 20 0 BDADLO CNC(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000135091809 358819906 /nfs/dbraw/zinc/81/99/06/358819906.db2.gz MPOSEYNBERCPKL-MRVPVSSYSA-N 1 2 240.278 1.231 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052634475 358789251 /nfs/dbraw/zinc/78/92/51/358789251.db2.gz BPGBZWAVGMFKNO-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052634475 358789253 /nfs/dbraw/zinc/78/92/53/358789253.db2.gz BPGBZWAVGMFKNO-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO O=C(CC[C@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000134491581 358791342 /nfs/dbraw/zinc/79/13/42/358791342.db2.gz QTKQITWLIHKOJW-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345830 358858531 /nfs/dbraw/zinc/85/85/31/358858531.db2.gz JKTZLBNCIBXLNI-NWDGAFQWSA-N 1 2 240.347 1.156 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345830 358858532 /nfs/dbraw/zinc/85/85/32/358858532.db2.gz JKTZLBNCIBXLNI-NWDGAFQWSA-N 1 2 240.347 1.156 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnccc2C)no1 ZINC000135457513 358839201 /nfs/dbraw/zinc/83/92/01/358839201.db2.gz KAHZMDNNZLGXHJ-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1CC1CCCCC1 ZINC000135545917 358844574 /nfs/dbraw/zinc/84/45/74/358844574.db2.gz IUZKBLXOCSQJAP-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1CC1CCCCC1 ZINC000135545917 358844576 /nfs/dbraw/zinc/84/45/76/358844576.db2.gz IUZKBLXOCSQJAP-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H](Cc1nc(C2CC2)no1)n1cc[nH+]c1 ZINC000351395164 366521836 /nfs/dbraw/zinc/52/18/36/366521836.db2.gz CILWCEKHRGZZMK-QMMMGPOBSA-N 1 2 218.260 1.947 20 0 BDADLO Cc1nccc(NCCCn2cc[nH+]c2)n1 ZINC000054935769 358878422 /nfs/dbraw/zinc/87/84/22/358878422.db2.gz UPABIZLBGZWDIV-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO COc1cc(C[NH2+]Cc2ccno2)sn1 ZINC000399120078 366505102 /nfs/dbraw/zinc/50/51/02/366505102.db2.gz KWJCSYHDBOIQRT-UHFFFAOYSA-N 1 2 225.273 1.430 20 0 BDADLO CC[C@H](NC(=O)CCn1cc[nH+]c1)c1ncc[nH]1 ZINC000140660830 358923978 /nfs/dbraw/zinc/92/39/78/358923978.db2.gz UZWPRXISFJMCKM-JTQLQIEISA-N 1 2 247.302 1.264 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000140747592 358926163 /nfs/dbraw/zinc/92/61/63/358926163.db2.gz ZRSATRLNLJOMFD-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000140747592 358926166 /nfs/dbraw/zinc/92/61/66/358926166.db2.gz ZRSATRLNLJOMFD-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO c1cn(CCN2OC3CCC2CC3)c[nH+]1 ZINC000640230916 358944308 /nfs/dbraw/zinc/94/43/08/358944308.db2.gz WRFPNQLDJZDBIZ-UHFFFAOYSA-N 1 2 207.277 1.442 20 0 BDADLO C[C@H]1OCC[C@@H]1C[N@@H+]1OC2CCC1CC2 ZINC000640231237 358944878 /nfs/dbraw/zinc/94/48/78/358944878.db2.gz ACNXKTNPJRSSBY-QYNFOATHSA-N 1 2 211.305 1.970 20 0 BDADLO C[C@H]1OCC[C@@H]1C[N@H+]1OC2CCC1CC2 ZINC000640231237 358944880 /nfs/dbraw/zinc/94/48/80/358944880.db2.gz ACNXKTNPJRSSBY-QYNFOATHSA-N 1 2 211.305 1.970 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1OC2CCC1CC2 ZINC000640231230 358945054 /nfs/dbraw/zinc/94/50/54/358945054.db2.gz ACNXKTNPJRSSBY-DMOGRIERSA-N 1 2 211.305 1.970 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1OC2CCC1CC2 ZINC000640231230 358945057 /nfs/dbraw/zinc/94/50/57/358945057.db2.gz ACNXKTNPJRSSBY-DMOGRIERSA-N 1 2 211.305 1.970 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000069867926 359035878 /nfs/dbraw/zinc/03/58/78/359035878.db2.gz INRIIUXPICILPG-LLVKDONJSA-N 1 2 241.356 1.552 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000069867926 359035882 /nfs/dbraw/zinc/03/58/82/359035882.db2.gz INRIIUXPICILPG-LLVKDONJSA-N 1 2 241.356 1.552 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2nncn2C)n1 ZINC000070093530 359040941 /nfs/dbraw/zinc/04/09/41/359040941.db2.gz DPMFUASEXMTCBT-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCCC1(F)F ZINC000308844039 491138759 /nfs/dbraw/zinc/13/87/59/491138759.db2.gz LHOUOGUXFLIZOU-SFYZADRCSA-N 1 2 241.303 1.197 20 0 BDADLO Cc1ccccc1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979056 359067789 /nfs/dbraw/zinc/06/77/89/359067789.db2.gz XCVAOHYCKLJCQA-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(C2CC2)on1 ZINC000070980851 359069044 /nfs/dbraw/zinc/06/90/44/359069044.db2.gz VUNCTENKWLVPFO-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1O ZINC000071203167 359074337 /nfs/dbraw/zinc/07/43/37/359074337.db2.gz MDSAFXRNVXTECA-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO Cc1nc(N2CC[C@@](C)(O)C2)c(C)c(C)[nH+]1 ZINC000177834484 134303644 /nfs/dbraw/zinc/30/36/44/134303644.db2.gz VNNKDMOMAUXMAT-GFCCVEGCSA-N 1 2 221.304 1.363 20 0 BDADLO CNC(=O)c1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000072958825 359092585 /nfs/dbraw/zinc/09/25/85/359092585.db2.gz QGLQBQSFJMDXIH-LLVKDONJSA-N 1 2 248.326 1.267 20 0 BDADLO CNC(=O)c1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000072958825 359092587 /nfs/dbraw/zinc/09/25/87/359092587.db2.gz QGLQBQSFJMDXIH-LLVKDONJSA-N 1 2 248.326 1.267 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000074667341 359123012 /nfs/dbraw/zinc/12/30/12/359123012.db2.gz BETPJHJYFBBSPE-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](O)C1 ZINC000074313766 359114547 /nfs/dbraw/zinc/11/45/47/359114547.db2.gz FYBTZBLDQRPEQC-CBAPKCEASA-N 1 2 223.276 1.075 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](O)C1 ZINC000074313766 359114552 /nfs/dbraw/zinc/11/45/52/359114552.db2.gz FYBTZBLDQRPEQC-CBAPKCEASA-N 1 2 223.276 1.075 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1nccn1C ZINC000070445506 359055941 /nfs/dbraw/zinc/05/59/41/359055941.db2.gz VIRIQHSYTRFIKL-AAEUAGOBSA-N 1 2 245.326 1.804 20 0 BDADLO C[C@H]([NH2+][C@H]1CCOC1=O)[C@H]1COc2ccccc21 ZINC000247053539 359191157 /nfs/dbraw/zinc/19/11/57/359191157.db2.gz VHIBKXPZAAVWBA-WCQGTBRESA-N 1 2 247.294 1.456 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnnn2C2CC2)ccn1 ZINC000623434617 359142513 /nfs/dbraw/zinc/14/25/13/359142513.db2.gz DHNGXYBVNDDBNM-UHFFFAOYSA-N 1 2 244.302 1.001 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000246631807 359153425 /nfs/dbraw/zinc/15/34/25/359153425.db2.gz HUZMGPILVOQWGL-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000246631807 359153430 /nfs/dbraw/zinc/15/34/30/359153430.db2.gz HUZMGPILVOQWGL-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000246961848 359177425 /nfs/dbraw/zinc/17/74/25/359177425.db2.gz AZXXINFEIVCADH-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000246961848 359177428 /nfs/dbraw/zinc/17/74/28/359177428.db2.gz AZXXINFEIVCADH-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000247934990 359249906 /nfs/dbraw/zinc/24/99/06/359249906.db2.gz DLJNOIAJXGSSBR-VHSXEESVSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000247934990 359249912 /nfs/dbraw/zinc/24/99/12/359249912.db2.gz DLJNOIAJXGSSBR-VHSXEESVSA-N 1 2 228.336 1.010 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000247232027 359203530 /nfs/dbraw/zinc/20/35/30/359203530.db2.gz WJWVYEMJTYRBKM-CHWSQXEVSA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000247232027 359203536 /nfs/dbraw/zinc/20/35/36/359203536.db2.gz WJWVYEMJTYRBKM-CHWSQXEVSA-N 1 2 237.299 1.659 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000611428839 359367958 /nfs/dbraw/zinc/36/79/58/359367958.db2.gz QESMGLDOLVCPLT-UHFFFAOYSA-N 1 2 249.270 1.469 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502708 359378929 /nfs/dbraw/zinc/37/89/29/359378929.db2.gz XDSWUAJHOJQRFE-OPRDCNLKSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502708 359378936 /nfs/dbraw/zinc/37/89/36/359378936.db2.gz XDSWUAJHOJQRFE-OPRDCNLKSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611669109 359414123 /nfs/dbraw/zinc/41/41/23/359414123.db2.gz YVGQQJCNDMRRFS-GDPRMGEGSA-N 1 2 229.295 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611669109 359414128 /nfs/dbraw/zinc/41/41/28/359414128.db2.gz YVGQQJCNDMRRFS-GDPRMGEGSA-N 1 2 229.295 1.618 20 0 BDADLO CC[C@@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633349108 359422610 /nfs/dbraw/zinc/42/26/10/359422610.db2.gz MXGOSHXQJJMYAP-SNVBAGLBSA-N 1 2 238.335 1.987 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cnccc1C ZINC000611794087 359452532 /nfs/dbraw/zinc/45/25/32/359452532.db2.gz GFGCUESCMWAWOP-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO C[C@@H]1C[C@H]1c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000580465814 359570319 /nfs/dbraw/zinc/57/03/19/359570319.db2.gz XWOVPIUJNGRPAV-HLTSFMKQSA-N 1 2 223.276 1.196 20 0 BDADLO C[C@@H]1C[C@H]1c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000580465814 359570322 /nfs/dbraw/zinc/57/03/22/359570322.db2.gz XWOVPIUJNGRPAV-HLTSFMKQSA-N 1 2 223.276 1.196 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@@H](C)OC ZINC000308963001 491141357 /nfs/dbraw/zinc/14/13/57/491141357.db2.gz SMJSLPAWHODACZ-DTWKUNHWSA-N 1 2 210.277 1.926 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000057214588 359668348 /nfs/dbraw/zinc/66/83/48/359668348.db2.gz GXFCGNALIVEDAI-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO CC(C)c1nc(N2CC(C)(CO)C2)cc[nH+]1 ZINC000450799962 202271203 /nfs/dbraw/zinc/27/12/03/202271203.db2.gz UKRDOFUZQGXDRW-UHFFFAOYSA-N 1 2 221.304 1.419 20 0 BDADLO C[C@@H]([NH2+]CC1=CCCCC1)c1ncn(C)n1 ZINC000450806432 202271783 /nfs/dbraw/zinc/27/17/83/202271783.db2.gz DAWWSBHYMLIGGR-SNVBAGLBSA-N 1 2 220.320 1.966 20 0 BDADLO CC[C@@H](O)[C@@H](CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000450862907 202292172 /nfs/dbraw/zinc/29/21/72/202292172.db2.gz RFAIYTGWFHVMLT-GHMZBOCLSA-N 1 2 235.331 1.737 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000612188946 359728495 /nfs/dbraw/zinc/72/84/95/359728495.db2.gz ZRXQFSIEJDROHX-QJPTWQEYSA-N 1 2 247.342 1.782 20 0 BDADLO CCC(=O)CCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000450850060 202287904 /nfs/dbraw/zinc/28/79/04/202287904.db2.gz ZXDLZIKISXAFKX-GHMZBOCLSA-N 1 2 245.388 1.587 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000612385342 359819801 /nfs/dbraw/zinc/81/98/01/359819801.db2.gz LCJABTVCPWUFHV-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO COC(=O)C1(C[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000612403753 359831423 /nfs/dbraw/zinc/83/14/23/359831423.db2.gz ARDJKSHWEKYOPA-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO O=C(CCCF)NCc1ccn2cc[nH+]c2c1 ZINC000612441175 359853079 /nfs/dbraw/zinc/85/30/79/359853079.db2.gz JIYSSIUHLQQIQT-UHFFFAOYSA-N 1 2 235.262 1.700 20 0 BDADLO CC(C)[N@H+](CC(=O)NC1CCCC1)C1COC1 ZINC000451121383 202357844 /nfs/dbraw/zinc/35/78/44/202357844.db2.gz QVCCMPLPYZRTMI-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)[N@@H+](CC(=O)NC1CCCC1)C1COC1 ZINC000451121383 202357846 /nfs/dbraw/zinc/35/78/46/202357846.db2.gz QVCCMPLPYZRTMI-UHFFFAOYSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)C(C)(C)C(N)=O)c1 ZINC000451137261 202362950 /nfs/dbraw/zinc/36/29/50/202362950.db2.gz TUOBKUAWOALAOQ-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)C(C)(C)C(N)=O)c1 ZINC000451137261 202362952 /nfs/dbraw/zinc/36/29/52/202362952.db2.gz TUOBKUAWOALAOQ-UHFFFAOYSA-N 1 2 238.306 1.830 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](F)C1 ZINC000451191805 202369939 /nfs/dbraw/zinc/36/99/39/202369939.db2.gz RTPHDWSYQDYTLO-ZJUUUORDSA-N 1 2 217.284 1.762 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](F)C1 ZINC000451191805 202369941 /nfs/dbraw/zinc/36/99/41/202369941.db2.gz RTPHDWSYQDYTLO-ZJUUUORDSA-N 1 2 217.284 1.762 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451187391 202371665 /nfs/dbraw/zinc/37/16/65/202371665.db2.gz NHWOAOCTFKLZIZ-ZJUUUORDSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451187391 202371669 /nfs/dbraw/zinc/37/16/69/202371669.db2.gz NHWOAOCTFKLZIZ-ZJUUUORDSA-N 1 2 230.327 1.724 20 0 BDADLO O=[S@](CC[N@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000451190445 202372851 /nfs/dbraw/zinc/37/28/51/202372851.db2.gz QPIATRBBNIWUPG-BDJLRTHQSA-N 1 2 241.331 1.838 20 0 BDADLO O=[S@](CC[N@@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000451190445 202372854 /nfs/dbraw/zinc/37/28/54/202372854.db2.gz QPIATRBBNIWUPG-BDJLRTHQSA-N 1 2 241.331 1.838 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451191368 202375168 /nfs/dbraw/zinc/37/51/68/202375168.db2.gz REENQEPGBQMCKP-AXFHLTTASA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451191368 202375172 /nfs/dbraw/zinc/37/51/72/202375172.db2.gz REENQEPGBQMCKP-AXFHLTTASA-N 1 2 230.327 1.724 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451195512 202376004 /nfs/dbraw/zinc/37/60/04/202376004.db2.gz XRYDKNJMOOHFCF-TUAOUCFPSA-N 1 2 242.338 1.820 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451195512 202376007 /nfs/dbraw/zinc/37/60/07/202376007.db2.gz XRYDKNJMOOHFCF-TUAOUCFPSA-N 1 2 242.338 1.820 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC(C1CC1)C1CC1 ZINC000451190982 202377228 /nfs/dbraw/zinc/37/72/28/202377228.db2.gz HBHDOZJFJVOBGT-LLVKDONJSA-N 1 2 240.322 1.335 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC(C1CC1)C1CC1 ZINC000451190982 202377230 /nfs/dbraw/zinc/37/72/30/202377230.db2.gz HBHDOZJFJVOBGT-LLVKDONJSA-N 1 2 240.322 1.335 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@](C)(COC)C2)[nH]1 ZINC000451203388 202379424 /nfs/dbraw/zinc/37/94/24/202379424.db2.gz PVAIVXXPRGCPRX-GFCCVEGCSA-N 1 2 238.335 1.226 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@](C)(COC)C2)[nH]1 ZINC000451203388 202379427 /nfs/dbraw/zinc/37/94/27/202379427.db2.gz PVAIVXXPRGCPRX-GFCCVEGCSA-N 1 2 238.335 1.226 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCC1(O)CCC1 ZINC000578643175 366618370 /nfs/dbraw/zinc/61/83/70/366618370.db2.gz POAKXZDZLQQTMM-UHFFFAOYSA-N 1 2 235.331 1.622 20 0 BDADLO CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1COC1 ZINC000451288486 202398565 /nfs/dbraw/zinc/39/85/65/202398565.db2.gz SVORDVWBSZLGCX-UHFFFAOYSA-N 1 2 242.363 1.353 20 0 BDADLO CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1COC1 ZINC000451288486 202398567 /nfs/dbraw/zinc/39/85/67/202398567.db2.gz SVORDVWBSZLGCX-UHFFFAOYSA-N 1 2 242.363 1.353 20 0 BDADLO CC[N@H+](CC(=O)NCCC(C)(C)C)C1COC1 ZINC000451282020 202392831 /nfs/dbraw/zinc/39/28/31/202392831.db2.gz CTZLUDQKBUFPOO-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@@H+](CC(=O)NCCC(C)(C)C)C1COC1 ZINC000451282020 202392835 /nfs/dbraw/zinc/39/28/35/202392835.db2.gz CTZLUDQKBUFPOO-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCCO1 ZINC000578684474 366627185 /nfs/dbraw/zinc/62/71/85/366627185.db2.gz IJCWSBZTZRHOSN-SNVBAGLBSA-N 1 2 207.277 1.106 20 0 BDADLO CS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000578751325 366637520 /nfs/dbraw/zinc/63/75/20/366637520.db2.gz GXJNEYPPBQADMT-UHFFFAOYSA-N 1 2 241.316 1.053 20 0 BDADLO CCOc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088753046 359975569 /nfs/dbraw/zinc/97/55/69/359975569.db2.gz QRSJVBLFZCMRSR-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO CCOc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088753046 359975572 /nfs/dbraw/zinc/97/55/72/359975572.db2.gz QRSJVBLFZCMRSR-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000091008169 360097938 /nfs/dbraw/zinc/09/79/38/360097938.db2.gz VOXOKBSSAZPAFN-PWSUYJOCSA-N 1 2 238.331 1.702 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009114 360054170 /nfs/dbraw/zinc/05/41/70/360054170.db2.gz SBTGQIVDILUZGX-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009114 360054173 /nfs/dbraw/zinc/05/41/73/360054173.db2.gz SBTGQIVDILUZGX-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H](C)[C@@H](NCc1c[nH+]cn1C)C(=O)OC ZINC000090166165 360060014 /nfs/dbraw/zinc/06/00/14/360060014.db2.gz HKMRIJOEJOYBPX-MWLCHTKSSA-N 1 2 239.319 1.097 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000578958595 366679721 /nfs/dbraw/zinc/67/97/21/366679721.db2.gz SZAZTGRWDVGRGP-VPOLOUISSA-N 1 2 248.330 1.987 20 0 BDADLO CCCCc1cc(NCC[C@H](C)O)nc[nH+]1 ZINC000631117896 360087905 /nfs/dbraw/zinc/08/79/05/360087905.db2.gz BWAOYQDRDVPLPI-JTQLQIEISA-N 1 2 223.320 1.424 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000090876783 360091573 /nfs/dbraw/zinc/09/15/73/360091573.db2.gz LFANSRWIDDHQFG-GFCCVEGCSA-N 1 2 249.310 1.485 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000090876783 360091579 /nfs/dbraw/zinc/09/15/79/360091579.db2.gz LFANSRWIDDHQFG-GFCCVEGCSA-N 1 2 249.310 1.485 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C2CC2)no1 ZINC000093312590 360227371 /nfs/dbraw/zinc/22/73/71/360227371.db2.gz XRTIWKSXNSHUED-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000093312590 360227376 /nfs/dbraw/zinc/22/73/76/360227376.db2.gz XRTIWKSXNSHUED-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc[nH]2)CCS1 ZINC000093502196 360250937 /nfs/dbraw/zinc/25/09/37/360250937.db2.gz GQGNCMBVEKCGQS-SNVBAGLBSA-N 1 2 211.334 1.737 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096785743 360354252 /nfs/dbraw/zinc/35/42/52/360354252.db2.gz BTSYLOQTZCJWLR-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000096786432 360355346 /nfs/dbraw/zinc/35/53/46/360355346.db2.gz VAQXKBDPVMOGNN-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000096786432 360355352 /nfs/dbraw/zinc/35/53/52/360355352.db2.gz VAQXKBDPVMOGNN-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N2CC[C@H](O)C2)[nH+]1 ZINC000631100011 360535577 /nfs/dbraw/zinc/53/55/77/360535577.db2.gz NXJCAWCRASQYKF-VIFPVBQESA-N 1 2 246.314 1.652 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+](C)C1CCC1 ZINC000572478436 360635550 /nfs/dbraw/zinc/63/55/50/360635550.db2.gz MCJRKDBEBFNORQ-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+](C)C1CCC1 ZINC000572478436 360635554 /nfs/dbraw/zinc/63/55/54/360635554.db2.gz MCJRKDBEBFNORQ-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(C1CC1)C1CC1 ZINC000628814827 360678845 /nfs/dbraw/zinc/67/88/45/360678845.db2.gz JDYQXFLPSOIPLK-SNVBAGLBSA-N 1 2 245.326 1.599 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N(C1CC1)C1CC1 ZINC000628814901 360679448 /nfs/dbraw/zinc/67/94/48/360679448.db2.gz MEBABIHZVITBSW-UHFFFAOYSA-N 1 2 219.288 1.496 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N(C1CC1)C1CC1 ZINC000628814901 360679452 /nfs/dbraw/zinc/67/94/52/360679452.db2.gz MEBABIHZVITBSW-UHFFFAOYSA-N 1 2 219.288 1.496 20 0 BDADLO O=C(CCn1cc[nH+]c1)N(C1CC1)C1CC1 ZINC000628814898 360679497 /nfs/dbraw/zinc/67/94/97/360679497.db2.gz CIHYCKIGAKKKMM-UHFFFAOYSA-N 1 2 219.288 1.427 20 0 BDADLO CC(C)C(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914902 360748443 /nfs/dbraw/zinc/74/84/43/360748443.db2.gz NUDKXZMVDANRJU-LLVKDONJSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)C(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914902 360748447 /nfs/dbraw/zinc/74/84/47/360748447.db2.gz NUDKXZMVDANRJU-LLVKDONJSA-N 1 2 242.363 1.115 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000628915193 360748738 /nfs/dbraw/zinc/74/87/38/360748738.db2.gz ACJPOQSYONNROL-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000628915193 360748740 /nfs/dbraw/zinc/74/87/40/360748740.db2.gz ACJPOQSYONNROL-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCc1nc(NCCc2nc(C)n[nH]2)cc(C)[nH+]1 ZINC000288054315 360752870 /nfs/dbraw/zinc/75/28/70/360752870.db2.gz XYQXXSSCUPYGAP-UHFFFAOYSA-N 1 2 246.318 1.429 20 0 BDADLO CCc1nc(NCCc2n[nH]c(C)n2)cc(C)[nH+]1 ZINC000288054315 360752876 /nfs/dbraw/zinc/75/28/76/360752876.db2.gz XYQXXSSCUPYGAP-UHFFFAOYSA-N 1 2 246.318 1.429 20 0 BDADLO Cc1[nH]c(C(=O)NCC(=O)C2CCCC2)c[nH+]1 ZINC000628994616 360783518 /nfs/dbraw/zinc/78/35/18/360783518.db2.gz IVJFDHYROZWQBC-UHFFFAOYSA-N 1 2 235.287 1.207 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000629033475 360817748 /nfs/dbraw/zinc/81/77/48/360817748.db2.gz VTIVYFFZWRCZQV-VMZHVLLKSA-N 1 2 219.288 1.138 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1 ZINC000154761137 360850260 /nfs/dbraw/zinc/85/02/60/360850260.db2.gz JJHGXIMBSKWNLN-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)nc1 ZINC000154761137 360850261 /nfs/dbraw/zinc/85/02/61/360850261.db2.gz JJHGXIMBSKWNLN-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2C[C@H]2C)[nH+]1 ZINC000629103074 360878771 /nfs/dbraw/zinc/87/87/71/360878771.db2.gz AHXBTURPRXQDCJ-SVRRBLITSA-N 1 2 209.318 1.946 20 0 BDADLO CCc1cnc(NC(=O)[C@H]2CSC[NH2+]2)s1 ZINC000155925862 360935185 /nfs/dbraw/zinc/93/51/85/360935185.db2.gz FFPXUWVAIGFNLW-SSDOTTSWSA-N 1 2 243.357 1.307 20 0 BDADLO Cc1scc(C[NH2+]Cc2ncn(C)n2)c1C ZINC000631104840 360928805 /nfs/dbraw/zinc/92/88/05/360928805.db2.gz WMCFAKIVOOJFDX-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)nc(N)[nH+]1 ZINC000631204258 360929528 /nfs/dbraw/zinc/92/95/28/360929528.db2.gz YBANIWOHENFTBE-INTQDDNPSA-N 1 2 247.346 1.607 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)[nH+]1 ZINC000631204258 360929533 /nfs/dbraw/zinc/92/95/33/360929533.db2.gz YBANIWOHENFTBE-INTQDDNPSA-N 1 2 247.346 1.607 20 0 BDADLO Cc1cnn(C)c1C[NH2+]Cc1csc(C)n1 ZINC000309624896 491153030 /nfs/dbraw/zinc/15/30/30/491153030.db2.gz FLVWQMRPNMRCMI-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO NC(=S)c1cc[nH+]c(NC2CCOCC2)c1 ZINC000036319873 181321945 /nfs/dbraw/zinc/32/19/45/181321945.db2.gz NEVHVQBMQOJJDY-UHFFFAOYSA-N 1 2 237.328 1.307 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000631209626 361073353 /nfs/dbraw/zinc/07/33/53/361073353.db2.gz XNMKUGSYPABOJX-UHFFFAOYSA-N 1 2 247.302 1.589 20 0 BDADLO C[C@@H](NC(=O)c1cnc(C2CC2)o1)c1[nH]cc[nH+]1 ZINC000640353740 361098452 /nfs/dbraw/zinc/09/84/52/361098452.db2.gz CEUJDKIWXFNXOP-SSDOTTSWSA-N 1 2 246.270 1.766 20 0 BDADLO Cn1ncc(Cl)c1CNCc1[nH]cc[nH+]1 ZINC000394595430 361178834 /nfs/dbraw/zinc/17/88/34/361178834.db2.gz IKUVXDYQEOPYNI-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640475265 361247336 /nfs/dbraw/zinc/24/73/36/361247336.db2.gz FLSHQQBHZQEEMO-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000640475265 361247342 /nfs/dbraw/zinc/24/73/42/361247342.db2.gz FLSHQQBHZQEEMO-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO C[C@H]([NH2+]Cc1nnn(C)n1)c1cccs1 ZINC000194425900 361243852 /nfs/dbraw/zinc/24/38/52/361243852.db2.gz RRPZKNMYXBTCLP-ZETCQYMHSA-N 1 2 223.305 1.122 20 0 BDADLO Cc1nocc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000640487830 361279708 /nfs/dbraw/zinc/27/97/08/361279708.db2.gz PDSMWJKDVZIBBD-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640479392 361259914 /nfs/dbraw/zinc/25/99/14/361259914.db2.gz RJILSYUFYNWXTM-KWQFWETISA-N 1 2 224.329 1.272 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640479392 361259918 /nfs/dbraw/zinc/25/99/18/361259918.db2.gz RJILSYUFYNWXTM-KWQFWETISA-N 1 2 224.329 1.272 20 0 BDADLO Cc1nocc1NC(=O)CCc1c[nH+]cn1C ZINC000640485801 361270285 /nfs/dbraw/zinc/27/02/85/361270285.db2.gz JKUCVFAYYPWPAS-UHFFFAOYSA-N 1 2 234.259 1.288 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000579149321 366725913 /nfs/dbraw/zinc/72/59/13/366725913.db2.gz SUSDKFVYVOALGA-NSHDSACASA-N 1 2 249.358 1.857 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)CCO1 ZINC000428252772 201004006 /nfs/dbraw/zinc/00/40/06/201004006.db2.gz LEEANMBCDBKRTI-NWDGAFQWSA-N 1 2 235.331 1.957 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)CCO1 ZINC000428252772 201004008 /nfs/dbraw/zinc/00/40/08/201004008.db2.gz LEEANMBCDBKRTI-NWDGAFQWSA-N 1 2 235.331 1.957 20 0 BDADLO Cc1nnc(C[NH+]2CCC3(CCO3)CC2)s1 ZINC000579026545 366699435 /nfs/dbraw/zinc/69/94/35/366699435.db2.gz IESPMYQYZYHXFF-UHFFFAOYSA-N 1 2 239.344 1.601 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000428419831 201012570 /nfs/dbraw/zinc/01/25/70/201012570.db2.gz HJMIZIQHNCWMSG-BXUZGUMPSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000428419831 201012573 /nfs/dbraw/zinc/01/25/73/201012573.db2.gz HJMIZIQHNCWMSG-BXUZGUMPSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000428419834 201013640 /nfs/dbraw/zinc/01/36/40/201013640.db2.gz HJMIZIQHNCWMSG-SMDDNHRTSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000428419834 201013643 /nfs/dbraw/zinc/01/36/43/201013643.db2.gz HJMIZIQHNCWMSG-SMDDNHRTSA-N 1 2 247.342 1.957 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000428453887 201020838 /nfs/dbraw/zinc/02/08/38/201020838.db2.gz CEOXZLDMPJWOJC-UHFFFAOYSA-N 1 2 226.324 1.132 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C(C)C)[nH]1 ZINC000428453887 201020840 /nfs/dbraw/zinc/02/08/40/201020840.db2.gz CEOXZLDMPJWOJC-UHFFFAOYSA-N 1 2 226.324 1.132 20 0 BDADLO CC[C@](C)([NH2+]CCc1cccnc1)C(=O)OC ZINC000428303865 201008502 /nfs/dbraw/zinc/00/85/02/201008502.db2.gz UUUKYAYAMFSFPC-ZDUSSCGKSA-N 1 2 236.315 1.555 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428937257 201048936 /nfs/dbraw/zinc/04/89/36/201048936.db2.gz DLARKCWEQJUKBO-NSHDSACASA-N 1 2 224.308 1.114 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428937257 201048937 /nfs/dbraw/zinc/04/89/37/201048937.db2.gz DLARKCWEQJUKBO-NSHDSACASA-N 1 2 224.308 1.114 20 0 BDADLO Cc1nc(N(C)[C@@H]2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000428664364 201032307 /nfs/dbraw/zinc/03/23/07/201032307.db2.gz IXAFSAMTIZPXSV-GXSJLCMTSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000428664364 201032310 /nfs/dbraw/zinc/03/23/10/201032310.db2.gz IXAFSAMTIZPXSV-GXSJLCMTSA-N 1 2 249.362 1.871 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428761331 201041270 /nfs/dbraw/zinc/04/12/70/201041270.db2.gz UYIQUVHAMZPNRC-ATZCPNFKSA-N 1 2 247.285 1.915 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428761331 201041273 /nfs/dbraw/zinc/04/12/73/201041273.db2.gz UYIQUVHAMZPNRC-ATZCPNFKSA-N 1 2 247.285 1.915 20 0 BDADLO CC(C)(O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614275227 363768245 /nfs/dbraw/zinc/76/82/45/363768245.db2.gz IQNUXSMCRRWMLO-UHFFFAOYSA-N 1 2 233.271 1.434 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000428967463 201054322 /nfs/dbraw/zinc/05/43/22/201054322.db2.gz XPGZDPWFTHJBHG-ZYHUDNBSSA-N 1 2 239.294 1.252 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000428967463 201054326 /nfs/dbraw/zinc/05/43/26/201054326.db2.gz XPGZDPWFTHJBHG-ZYHUDNBSSA-N 1 2 239.294 1.252 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000428967461 201055924 /nfs/dbraw/zinc/05/59/24/201055924.db2.gz XPGZDPWFTHJBHG-JQWIXIFHSA-N 1 2 239.294 1.252 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000428967461 201055927 /nfs/dbraw/zinc/05/59/27/201055927.db2.gz XPGZDPWFTHJBHG-JQWIXIFHSA-N 1 2 239.294 1.252 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000428987464 201057468 /nfs/dbraw/zinc/05/74/68/201057468.db2.gz WBLTXSMGAHODOZ-SSDOTTSWSA-N 1 2 225.210 1.434 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000428987464 201057470 /nfs/dbraw/zinc/05/74/70/201057470.db2.gz WBLTXSMGAHODOZ-SSDOTTSWSA-N 1 2 225.210 1.434 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1ncnn1C(C)C ZINC000429264912 201086138 /nfs/dbraw/zinc/08/61/38/201086138.db2.gz QRUYBADIYSOPPC-UHFFFAOYSA-N 1 2 240.351 1.716 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1ncnn1C(C)C ZINC000429264912 201086141 /nfs/dbraw/zinc/08/61/41/201086141.db2.gz QRUYBADIYSOPPC-UHFFFAOYSA-N 1 2 240.351 1.716 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000429173033 201075176 /nfs/dbraw/zinc/07/51/76/201075176.db2.gz UDTVQGRHMHZYNL-WPRPVWTQSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000429173033 201075180 /nfs/dbraw/zinc/07/51/80/201075180.db2.gz UDTVQGRHMHZYNL-WPRPVWTQSA-N 1 2 236.319 1.027 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCCC[C@H]1OC ZINC000429500046 201112678 /nfs/dbraw/zinc/11/26/78/201112678.db2.gz VBUGQINBKBXWAR-SDDRHHMPSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1ncnn1CC(F)F ZINC000429290000 201094802 /nfs/dbraw/zinc/09/48/02/201094802.db2.gz FRCHXEVQZPCNGS-MRVPVSSYSA-N 1 2 230.262 1.528 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1ncnn1CC(F)F ZINC000429290000 201094803 /nfs/dbraw/zinc/09/48/03/201094803.db2.gz FRCHXEVQZPCNGS-MRVPVSSYSA-N 1 2 230.262 1.528 20 0 BDADLO Cc1nnc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)s1 ZINC000429296848 201096460 /nfs/dbraw/zinc/09/64/60/201096460.db2.gz XNMQKKMNPRUJHO-HTQZYQBOSA-N 1 2 241.360 1.580 20 0 BDADLO C1=C[C@H]([N@@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000429291608 201096700 /nfs/dbraw/zinc/09/67/00/201096700.db2.gz UYICNJGFOUETII-VIFPVBQESA-N 1 2 204.277 1.272 20 0 BDADLO C1=C[C@H]([N@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000429291608 201096703 /nfs/dbraw/zinc/09/67/03/201096703.db2.gz UYICNJGFOUETII-VIFPVBQESA-N 1 2 204.277 1.272 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)C[C@H]2CCOC2)no1 ZINC000429678558 201124852 /nfs/dbraw/zinc/12/48/52/201124852.db2.gz ASVJRAMHRHDORW-PSASIEDQSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@H]2CCOC2)no1 ZINC000429678558 201124857 /nfs/dbraw/zinc/12/48/57/201124857.db2.gz ASVJRAMHRHDORW-PSASIEDQSA-N 1 2 225.292 1.407 20 0 BDADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000429708086 201125521 /nfs/dbraw/zinc/12/55/21/201125521.db2.gz IRMYEIZLSVWZQK-MVWJERBFSA-N 1 2 239.315 1.097 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC([C@H](C)O)CC2)no1 ZINC000429681124 201126920 /nfs/dbraw/zinc/12/69/20/201126920.db2.gz KBDLDDIBYDWOIB-IUCAKERBSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CC(C)(C)O)no1 ZINC000429678706 201127410 /nfs/dbraw/zinc/12/74/10/201127410.db2.gz CGGPRUGQDJFHPY-ZETCQYMHSA-N 1 2 213.281 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CC(C)(C)O)no1 ZINC000429678706 201127414 /nfs/dbraw/zinc/12/74/14/201127414.db2.gz CGGPRUGQDJFHPY-ZETCQYMHSA-N 1 2 213.281 1.142 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1(C)CC1 ZINC000429717324 201129074 /nfs/dbraw/zinc/12/90/74/201129074.db2.gz LMFNPVPCNPDFNL-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO COC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000429708088 201130150 /nfs/dbraw/zinc/13/01/50/201130150.db2.gz IRMYEIZLSVWZQK-WCQGTBRESA-N 1 2 239.315 1.097 20 0 BDADLO Cc1nc([C@@H](C)[NH+]2CCC(CO)CC2)no1 ZINC000429725691 201130545 /nfs/dbraw/zinc/13/05/45/201130545.db2.gz PLCXFVLRPHOYDB-MRVPVSSYSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ncccc1F ZINC000309920733 491158187 /nfs/dbraw/zinc/15/81/87/491158187.db2.gz RVNLTHYBNHBCLK-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ncccc1F ZINC000309920733 491158188 /nfs/dbraw/zinc/15/81/88/491158188.db2.gz RVNLTHYBNHBCLK-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc(CC)[nH+]cn1 ZINC000309938674 491158552 /nfs/dbraw/zinc/15/85/52/491158552.db2.gz AYCWIFYRRLYDJA-USEMIUTHSA-N 1 2 221.304 1.778 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H](CO)COC(C)C)o1 ZINC000433168217 201162671 /nfs/dbraw/zinc/16/26/71/201162671.db2.gz MBRYDJUJXXQWLD-LLVKDONJSA-N 1 2 242.319 1.201 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H](CO)COC(C)C)o1 ZINC000433168217 201162674 /nfs/dbraw/zinc/16/26/74/201162674.db2.gz MBRYDJUJXXQWLD-LLVKDONJSA-N 1 2 242.319 1.201 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000629595442 361481705 /nfs/dbraw/zinc/48/17/05/361481705.db2.gz POAHGTIEYBXKPN-LURJTMIESA-N 1 2 235.196 1.935 20 0 BDADLO CCc1cc(N[C@@H](CO)C(C)(C)C)nc[nH+]1 ZINC000309964743 491158444 /nfs/dbraw/zinc/15/84/44/491158444.db2.gz MYJXCUWTDUWRPD-JTQLQIEISA-N 1 2 223.320 1.858 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433197087 201169641 /nfs/dbraw/zinc/16/96/41/201169641.db2.gz PKXBQDNSKYSMLR-SECBINFHSA-N 1 2 240.351 1.569 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433197087 201169644 /nfs/dbraw/zinc/16/96/44/201169644.db2.gz PKXBQDNSKYSMLR-SECBINFHSA-N 1 2 240.351 1.569 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@@H](O)C(C)C)no1 ZINC000433211328 201170675 /nfs/dbraw/zinc/17/06/75/201170675.db2.gz XYZDLSITNZRPHI-SECBINFHSA-N 1 2 241.335 1.474 20 0 BDADLO CC1=CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614378280 363798840 /nfs/dbraw/zinc/79/88/40/363798840.db2.gz DKOUBPCMVLEHNY-NSHDSACASA-N 1 2 245.326 1.693 20 0 BDADLO CC1=CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614378280 363798845 /nfs/dbraw/zinc/79/88/45/363798845.db2.gz DKOUBPCMVLEHNY-NSHDSACASA-N 1 2 245.326 1.693 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000448545748 201197184 /nfs/dbraw/zinc/19/71/84/201197184.db2.gz LDYOOOXLOXKKRM-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000448545748 201197185 /nfs/dbraw/zinc/19/71/85/201197185.db2.gz LDYOOOXLOXKKRM-SECBINFHSA-N 1 2 239.344 1.884 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@H](SC)C2)n1 ZINC000448545536 201199597 /nfs/dbraw/zinc/19/95/97/201199597.db2.gz DBSFJHUNNGMMBG-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@H](SC)C2)n1 ZINC000448545536 201199600 /nfs/dbraw/zinc/19/96/00/201199600.db2.gz DBSFJHUNNGMMBG-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579480703 366826469 /nfs/dbraw/zinc/82/64/69/366826469.db2.gz WIGODBSXEFGINS-AXFHLTTASA-N 1 2 239.319 1.374 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)OC[C@@H]2C)[nH+]1 ZINC000433773054 201193914 /nfs/dbraw/zinc/19/39/14/201193914.db2.gz GFKSEMPDKGDYPL-DTWKUNHWSA-N 1 2 246.314 1.880 20 0 BDADLO COCCC[N@H+](C)Cc1ncnn1C(C)C ZINC000434534130 201225527 /nfs/dbraw/zinc/22/55/27/201225527.db2.gz GJGNPVYBBZNJEE-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO COCCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000434534130 201225529 /nfs/dbraw/zinc/22/55/29/201225529.db2.gz GJGNPVYBBZNJEE-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO Cc1cc(NCCCc2ccccn2)nc[nH+]1 ZINC000434954645 201245339 /nfs/dbraw/zinc/24/53/39/201245339.db2.gz JQJVQHCKEUAYOH-UHFFFAOYSA-N 1 2 228.299 1.647 20 0 BDADLO COCCCNc1ccc(-c2ccnn2C)c[nH+]1 ZINC000629697285 361628348 /nfs/dbraw/zinc/62/83/48/361628348.db2.gz ZCWBKXOJGJJLGM-UHFFFAOYSA-N 1 2 246.314 1.352 20 0 BDADLO CCc1ccnc(CNc2cc[nH+]c(C)n2)c1 ZINC000435602126 201279905 /nfs/dbraw/zinc/27/99/05/201279905.db2.gz SXVSBMQWMXIAOZ-UHFFFAOYSA-N 1 2 228.299 1.776 20 0 BDADLO COCCCNc1ccc(-c2cnoc2C)c[nH+]1 ZINC000629713557 361653139 /nfs/dbraw/zinc/65/31/39/361653139.db2.gz PRLKNLKLPDMFIG-UHFFFAOYSA-N 1 2 247.298 1.915 20 0 BDADLO CNc1ccc(-c2ccc(CO)cc2)c[nH+]1 ZINC000629730732 361670742 /nfs/dbraw/zinc/67/07/42/361670742.db2.gz TWNWQLDFLOBGOL-UHFFFAOYSA-N 1 2 214.268 1.705 20 0 BDADLO COc1ccc(-c2c[nH]c(C)[nH+]2)c(CO)c1 ZINC000629740877 361678089 /nfs/dbraw/zinc/67/80/89/361678089.db2.gz LNQKHWJAKZWPGP-UHFFFAOYSA-N 1 2 218.256 1.886 20 0 BDADLO OC[C@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000436436395 201327356 /nfs/dbraw/zinc/32/73/56/201327356.db2.gz WGHQQPAAZPLGAA-SNVBAGLBSA-N 1 2 236.246 1.139 20 0 BDADLO CC1(C)COCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000614431153 363816596 /nfs/dbraw/zinc/81/65/96/363816596.db2.gz BUSPXVDJKURURX-JTQLQIEISA-N 1 2 249.314 1.040 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C1CCSCC1 ZINC000037074159 363858788 /nfs/dbraw/zinc/85/87/88/363858788.db2.gz JOLJLCCKNLXWPF-ZETCQYMHSA-N 1 2 203.307 1.033 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H]2CCC2(C)C)c[nH+]1 ZINC000614739324 363949261 /nfs/dbraw/zinc/94/92/61/363949261.db2.gz JPMFHJZQOJIOMH-JTQLQIEISA-N 1 2 248.330 1.250 20 0 BDADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]C(C)C ZINC000037395131 363970659 /nfs/dbraw/zinc/97/06/59/363970659.db2.gz UZAHNMYXINMGMK-GFCCVEGCSA-N 1 2 221.300 1.769 20 0 BDADLO CCOCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000622082750 370699376 /nfs/dbraw/zinc/69/93/76/370699376.db2.gz RFIISEYJAOUJTB-JTQLQIEISA-N 1 2 239.319 1.507 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ocnc1C ZINC000622084095 370701428 /nfs/dbraw/zinc/70/14/28/370701428.db2.gz RRAXRPJEZLNCLT-VIFPVBQESA-N 1 2 248.286 1.690 20 0 BDADLO C[C@@H]1CC[C@@H](n2cc([C@@H]3COCC[NH2+]3)nn2)C1 ZINC000630604621 364328694 /nfs/dbraw/zinc/32/86/94/364328694.db2.gz UUKMUVYGNIXAMC-FOGDFJRCSA-N 1 2 236.319 1.300 20 0 BDADLO Fc1cccc(-n2cc([C@H]3COCC[NH2+]3)nn2)c1 ZINC000630596426 364310225 /nfs/dbraw/zinc/31/02/25/364310225.db2.gz HKRZJQKTUGUYPV-GFCCVEGCSA-N 1 2 248.261 1.067 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ncccc2O)n1 ZINC000579489426 366829180 /nfs/dbraw/zinc/82/91/80/366829180.db2.gz TUANCCWUQOWSRR-MRVPVSSYSA-N 1 2 248.286 1.672 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ncccc2O)n1 ZINC000579489426 366829182 /nfs/dbraw/zinc/82/91/82/366829182.db2.gz TUANCCWUQOWSRR-MRVPVSSYSA-N 1 2 248.286 1.672 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)C1CC1 ZINC000134594469 541358573 /nfs/dbraw/zinc/35/85/73/541358573.db2.gz YLPMERQRBXMPPQ-UFBFGSQYSA-N 1 2 223.320 1.794 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000615157383 364547200 /nfs/dbraw/zinc/54/72/00/364547200.db2.gz CWENIDVEISYHKW-UTLUCORTSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1cc(CO)oc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615157252 364548273 /nfs/dbraw/zinc/54/82/73/364548273.db2.gz AGJQDEJKWUTJEW-MRVPVSSYSA-N 1 2 249.270 1.294 20 0 BDADLO Cc1conc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000630805164 364567588 /nfs/dbraw/zinc/56/75/88/364567588.db2.gz YPPJGZFANUTFAX-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)CC[C@@H](C)O)on1 ZINC000567011698 364718959 /nfs/dbraw/zinc/71/89/59/364718959.db2.gz RYENWWXIPVYLAQ-MRVPVSSYSA-N 1 2 226.276 1.080 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)CC[C@@H](C)O)on1 ZINC000567011698 364718964 /nfs/dbraw/zinc/71/89/64/364718964.db2.gz RYENWWXIPVYLAQ-MRVPVSSYSA-N 1 2 226.276 1.080 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000615363050 364733738 /nfs/dbraw/zinc/73/37/38/364733738.db2.gz IOMCNZRHDXEOLV-UKKRHICBSA-N 1 2 233.315 1.390 20 0 BDADLO CCOC(=O)c1csc(Cn2cc[nH+]c2)n1 ZINC000336897768 364849395 /nfs/dbraw/zinc/84/93/95/364849395.db2.gz PMTSAZQBARBXLW-UHFFFAOYSA-N 1 2 237.284 1.565 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CO[C@@H](C)C2)[nH+]1 ZINC000573440791 364833506 /nfs/dbraw/zinc/83/35/06/364833506.db2.gz ZVYGUPXUYTUXKU-CBAPKCEASA-N 1 2 232.287 1.856 20 0 BDADLO C/C=C\C[C@@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000432918430 192971696 /nfs/dbraw/zinc/97/16/96/192971696.db2.gz SCNUYYLMBDKXLP-HSSXIKCFSA-N 1 2 241.331 1.651 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](CCCF)CC2)[nH]1 ZINC000438997054 201429018 /nfs/dbraw/zinc/42/90/18/201429018.db2.gz IDRMYYCVYCSWMC-UHFFFAOYSA-N 1 2 228.271 1.049 20 0 BDADLO CC[C@@H](SC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573855563 364932052 /nfs/dbraw/zinc/93/20/52/364932052.db2.gz MLBRVIMUZPDHPK-MRVPVSSYSA-N 1 2 241.360 1.903 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccccc1O ZINC000336158139 541426548 /nfs/dbraw/zinc/42/65/48/541426548.db2.gz YIZGQJZLFILUIS-UHFFFAOYSA-N 1 2 231.255 1.056 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCCCCO1 ZINC000573998100 364963207 /nfs/dbraw/zinc/96/32/07/364963207.db2.gz CNTKAZZIZDWNEP-UHFFFAOYSA-N 1 2 235.287 1.761 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574159959 364999714 /nfs/dbraw/zinc/99/97/14/364999714.db2.gz WOGBMEQGBGVZAV-XEZLXBQYSA-N 1 2 245.326 1.360 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCc2c[nH+]cn2C1 ZINC000574159957 364999731 /nfs/dbraw/zinc/99/97/31/364999731.db2.gz WOGBMEQGBGVZAV-SYEHKZFSSA-N 1 2 245.326 1.360 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000653674770 541442676 /nfs/dbraw/zinc/44/26/76/541442676.db2.gz YWFFXCUADDQMNT-MRVPVSSYSA-N 1 2 226.276 1.344 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000653674770 541442678 /nfs/dbraw/zinc/44/26/78/541442678.db2.gz YWFFXCUADDQMNT-MRVPVSSYSA-N 1 2 226.276 1.344 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H](CO)C1 ZINC000574186633 365007013 /nfs/dbraw/zinc/00/70/13/365007013.db2.gz PVGQXJJHALUFHL-LLVKDONJSA-N 1 2 221.304 1.302 20 0 BDADLO CCOC(=O)CC[NH+]1CC(C(F)(F)F)C1 ZINC000574149678 364995435 /nfs/dbraw/zinc/99/54/35/364995435.db2.gz QYRZMEJGOVQQDN-UHFFFAOYSA-N 1 2 225.210 1.434 20 0 BDADLO C[C@@H](CC(=O)N1CCC(=O)[C@H](C)C1)n1cc[nH+]c1 ZINC000574405476 365054754 /nfs/dbraw/zinc/05/47/54/365054754.db2.gz DRWUXOSHHPRYAX-MNOVXSKESA-N 1 2 249.314 1.272 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CC1(C)C)n1cc[nH+]c1 ZINC000574577564 365094753 /nfs/dbraw/zinc/09/47/53/365094753.db2.gz CFMHPRJTCQENKY-ZJUUUORDSA-N 1 2 221.304 1.749 20 0 BDADLO OC[C@@H]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000574619341 365102935 /nfs/dbraw/zinc/10/29/35/365102935.db2.gz VDQSLXAKJXVOTQ-KOLCDFICSA-N 1 2 248.330 1.624 20 0 BDADLO OC[C@@H]1CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000574619341 365102943 /nfs/dbraw/zinc/10/29/43/365102943.db2.gz VDQSLXAKJXVOTQ-KOLCDFICSA-N 1 2 248.330 1.624 20 0 BDADLO Cc1cc(N)nc(S[C@@H]2CCO[C@H](C)C2)[nH+]1 ZINC000574703959 365127144 /nfs/dbraw/zinc/12/71/44/365127144.db2.gz JOASXFPYQJMYQD-RKDXNWHRSA-N 1 2 239.344 1.857 20 0 BDADLO CC1(C)C[C@@H]([NH2+]C2(C(F)F)CC2)CO1 ZINC000575138715 365219826 /nfs/dbraw/zinc/21/98/26/365219826.db2.gz KCQIXIOGCGTXFK-SSDOTTSWSA-N 1 2 205.248 1.941 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2nccs2)o1 ZINC000157869215 193031712 /nfs/dbraw/zinc/03/17/12/193031712.db2.gz YEYROJJOQVAHHJ-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2nccs2)o1 ZINC000157869215 193031715 /nfs/dbraw/zinc/03/17/15/193031715.db2.gz YEYROJJOQVAHHJ-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000444472260 193047780 /nfs/dbraw/zinc/04/77/80/193047780.db2.gz BWELOGFVZIVAHE-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000444468804 193047914 /nfs/dbraw/zinc/04/79/14/193047914.db2.gz RRFDWFHVUGKYNN-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncnn2C)CCS1 ZINC000192190892 365281578 /nfs/dbraw/zinc/28/15/78/365281578.db2.gz MAHCPOHNFQWMNX-SECBINFHSA-N 1 2 226.349 1.143 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncnn2C)CCS1 ZINC000192190892 365281586 /nfs/dbraw/zinc/28/15/86/365281586.db2.gz MAHCPOHNFQWMNX-SECBINFHSA-N 1 2 226.349 1.143 20 0 BDADLO Cn1nncc1C[NH2+]Cc1noc2ccccc12 ZINC000575429922 365318263 /nfs/dbraw/zinc/31/82/63/365318263.db2.gz HPGCUJKWHMYYID-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000172590196 365343014 /nfs/dbraw/zinc/34/30/14/365343014.db2.gz XGVWDKLRYQSWTP-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000172590196 365343020 /nfs/dbraw/zinc/34/30/20/365343020.db2.gz XGVWDKLRYQSWTP-MRVPVSSYSA-N 1 2 239.344 1.884 20 0 BDADLO C[C@H](CC(=O)Nc1ccncc1F)n1cc[nH+]c1 ZINC000575872386 365399565 /nfs/dbraw/zinc/39/95/65/365399565.db2.gz ONHLCIBGQYYTNR-SECBINFHSA-N 1 2 248.261 1.429 20 0 BDADLO Cc1nc(N2Cc3cncnc3C2)cc[nH+]1 ZINC000576052102 365466053 /nfs/dbraw/zinc/46/60/53/365466053.db2.gz BEEADQKHGZJTQU-UHFFFAOYSA-N 1 2 213.244 1.095 20 0 BDADLO Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)s1 ZINC000575944741 365422842 /nfs/dbraw/zinc/42/28/42/365422842.db2.gz MSUMLGRLYKDBEJ-UHFFFAOYSA-N 1 2 243.313 1.580 20 0 BDADLO CC(C)(NC(=O)C1CC=CC1)c1[nH]cc[nH+]1 ZINC000575995078 365440323 /nfs/dbraw/zinc/44/03/23/365440323.db2.gz BGMGBUWXKREOGO-UHFFFAOYSA-N 1 2 219.288 1.727 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(C2CC2)no1 ZINC000576184106 365515149 /nfs/dbraw/zinc/51/51/49/365515149.db2.gz RKKZBWKLQHUCMG-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCF ZINC000576119663 365493411 /nfs/dbraw/zinc/49/34/11/365493411.db2.gz NJXAQTWQGCIQFM-MRVPVSSYSA-N 1 2 213.256 1.064 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCF ZINC000576119663 365493414 /nfs/dbraw/zinc/49/34/14/365493414.db2.gz NJXAQTWQGCIQFM-MRVPVSSYSA-N 1 2 213.256 1.064 20 0 BDADLO Cc1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)c(C)o1 ZINC000564648446 325801104 /nfs/dbraw/zinc/80/11/04/325801104.db2.gz QSRHAAXEGIARTL-UHFFFAOYSA-N 1 2 241.272 1.420 20 0 BDADLO CCC[C@H]([NH2+]Cc1ncnn1C)c1ccccn1 ZINC000179474751 541504339 /nfs/dbraw/zinc/50/43/39/541504339.db2.gz JBNYOSWGUHWLJA-NSHDSACASA-N 1 2 245.330 1.841 20 0 BDADLO COc1cc(C(=O)Nc2ccc(C)[nH+]c2C)on1 ZINC000184035198 367060452 /nfs/dbraw/zinc/06/04/52/367060452.db2.gz REZNSUYCTVYVHA-UHFFFAOYSA-N 1 2 247.254 1.947 20 0 BDADLO COCCC[N@H+](CCOC)Cc1cscn1 ZINC000193419525 367174537 /nfs/dbraw/zinc/17/45/37/367174537.db2.gz BWZMCLNICDMVFZ-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO COCCC[N@@H+](CCOC)Cc1cscn1 ZINC000193419525 367174540 /nfs/dbraw/zinc/17/45/40/367174540.db2.gz BWZMCLNICDMVFZ-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000580719083 367149823 /nfs/dbraw/zinc/14/98/23/367149823.db2.gz NEXSVGXSZPXBSM-OUAUKWLOSA-N 1 2 237.303 1.128 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000580770550 367160476 /nfs/dbraw/zinc/16/04/76/367160476.db2.gz SPIGQJFCJMOPRL-UHFFFAOYSA-N 1 2 233.315 1.312 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000580770550 367160478 /nfs/dbraw/zinc/16/04/78/367160478.db2.gz SPIGQJFCJMOPRL-UHFFFAOYSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@H](CC(=O)N1CC(CF)C1)n1cc[nH+]c1 ZINC000580778413 367163606 /nfs/dbraw/zinc/16/36/06/367163606.db2.gz JUKVZSVEUADHBC-SECBINFHSA-N 1 2 225.267 1.262 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000580896885 367201381 /nfs/dbraw/zinc/20/13/81/367201381.db2.gz TURCXPIWHCVLBT-GMTAPVOTSA-N 1 2 221.304 1.606 20 0 BDADLO CCn1cc[nH+]c1CN(C)[C@H](C)c1nc(C)no1 ZINC000580960396 367218197 /nfs/dbraw/zinc/21/81/97/367218197.db2.gz MHRIGOCRQWAQCW-SECBINFHSA-N 1 2 249.318 1.787 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000581171293 367282244 /nfs/dbraw/zinc/28/22/44/367282244.db2.gz TUDQMOFBCBHWNE-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000581171293 367282246 /nfs/dbraw/zinc/28/22/46/367282246.db2.gz TUDQMOFBCBHWNE-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccn(C)c1 ZINC000581079956 367256487 /nfs/dbraw/zinc/25/64/87/367256487.db2.gz IXFZAXFVQPCMDH-SNVBAGLBSA-N 1 2 246.314 1.243 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccn(C)c1 ZINC000581079956 367256492 /nfs/dbraw/zinc/25/64/92/367256492.db2.gz IXFZAXFVQPCMDH-SNVBAGLBSA-N 1 2 246.314 1.243 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cnccc2C)s1 ZINC000381371269 367389093 /nfs/dbraw/zinc/38/90/93/367389093.db2.gz IJHRHXWCSQVZNC-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)nc1 ZINC000581386557 367419390 /nfs/dbraw/zinc/41/93/90/367419390.db2.gz BHHYUTQYTBLVRX-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2ncccn2)s1 ZINC000381201905 367365132 /nfs/dbraw/zinc/36/51/32/367365132.db2.gz FKZLGLQYVLIFFQ-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(CCF)CC1 ZINC000581438766 367471076 /nfs/dbraw/zinc/47/10/76/367471076.db2.gz AKOUSAUTFGYSQU-UHFFFAOYSA-N 1 2 239.294 1.659 20 0 BDADLO Cc1cc(C[NH2+]Cc2conc2C)no1 ZINC000382099711 367485246 /nfs/dbraw/zinc/48/52/46/367485246.db2.gz BGEMASREIZRVMT-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO COC[C@H](C)C[NH2+][C@@H](CC(F)F)C(=O)OC ZINC000381774137 367456424 /nfs/dbraw/zinc/45/64/24/367456424.db2.gz WOOJNJMRZRSBGQ-SFYZADRCSA-N 1 2 239.262 1.055 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000581550460 367581884 /nfs/dbraw/zinc/58/18/84/367581884.db2.gz AJPYWHLWWACCNE-NEPJUHHUSA-N 1 2 249.358 1.854 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H]1C[C@@H](C)O ZINC000383493563 367628699 /nfs/dbraw/zinc/62/86/99/367628699.db2.gz CTRZCLTYQFSGKB-GHMZBOCLSA-N 1 2 236.315 1.830 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000383274689 367611133 /nfs/dbraw/zinc/61/11/33/367611133.db2.gz HSDAMAJNEVRIPQ-KWQFWETISA-N 1 2 231.303 1.710 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000384329920 367685632 /nfs/dbraw/zinc/68/56/32/367685632.db2.gz UCLATSHBPAMHAD-ATZCPNFKSA-N 1 2 229.320 1.341 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(C(F)(F)F)CCC1 ZINC000622384934 370881676 /nfs/dbraw/zinc/88/16/76/370881676.db2.gz XVMZUACEBKPQAS-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(C(F)(F)F)CCC1 ZINC000622384934 370881683 /nfs/dbraw/zinc/88/16/83/370881683.db2.gz XVMZUACEBKPQAS-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000581862582 367851664 /nfs/dbraw/zinc/85/16/64/367851664.db2.gz JNBODYQYOCZPQG-JGVFFNPUSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000581862582 367851666 /nfs/dbraw/zinc/85/16/66/367851666.db2.gz JNBODYQYOCZPQG-JGVFFNPUSA-N 1 2 227.333 1.456 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000385681337 367854416 /nfs/dbraw/zinc/85/44/16/367854416.db2.gz OANIEROTJWPROT-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000385681337 367854424 /nfs/dbraw/zinc/85/44/24/367854424.db2.gz OANIEROTJWPROT-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC1CCC1 ZINC000581892448 367883915 /nfs/dbraw/zinc/88/39/15/367883915.db2.gz MBDOJBVVIBVJJC-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC1CCC1 ZINC000581892448 367883916 /nfs/dbraw/zinc/88/39/16/367883916.db2.gz MBDOJBVVIBVJJC-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@H]1[C@@H](CO)CCN1c1cc(C)[nH+]cn1 ZINC000385926188 367884637 /nfs/dbraw/zinc/88/46/37/367884637.db2.gz UGFXNWWMEIRXCX-MNOVXSKESA-N 1 2 221.304 1.382 20 0 BDADLO C[C@H](CC(=O)N(C)C1CC1)n1cc[nH+]c1 ZINC000566307329 326032027 /nfs/dbraw/zinc/03/20/27/326032027.db2.gz IYKZDALIIAKPIY-SECBINFHSA-N 1 2 207.277 1.455 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)[C@@H](C)O ZINC000386685152 368009635 /nfs/dbraw/zinc/00/96/35/368009635.db2.gz JBZROPZXCBSEEH-GHMZBOCLSA-N 1 2 237.347 1.902 20 0 BDADLO CCO[C@H](CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000581976812 368033169 /nfs/dbraw/zinc/03/31/69/368033169.db2.gz ZWWQTBLKQQEGOR-LLVKDONJSA-N 1 2 237.303 1.040 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](F)C1 ZINC000615747901 368240012 /nfs/dbraw/zinc/24/00/12/368240012.db2.gz ZGLXRWLWJKJIPZ-BDAKNGLRSA-N 1 2 237.278 1.085 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](F)C1 ZINC000615747901 368240015 /nfs/dbraw/zinc/24/00/15/368240015.db2.gz ZGLXRWLWJKJIPZ-BDAKNGLRSA-N 1 2 237.278 1.085 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC1 ZINC000615751942 368252467 /nfs/dbraw/zinc/25/24/67/368252467.db2.gz HXRVIYXWPXLRMK-UHFFFAOYSA-N 1 2 245.282 1.161 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000615696617 368209557 /nfs/dbraw/zinc/20/95/57/368209557.db2.gz MNGADKLPXZQELI-PSASIEDQSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000615696617 368209559 /nfs/dbraw/zinc/20/95/59/368209559.db2.gz MNGADKLPXZQELI-PSASIEDQSA-N 1 2 233.315 1.429 20 0 BDADLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000033044990 368261878 /nfs/dbraw/zinc/26/18/78/368261878.db2.gz BJQUDEHKBRTAMP-UHFFFAOYSA-N 1 2 242.282 1.294 20 0 BDADLO CSCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000566443916 326047979 /nfs/dbraw/zinc/04/79/79/326047979.db2.gz DZVMFSJPGHWYDU-SECBINFHSA-N 1 2 241.360 1.458 20 0 BDADLO CSCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000566443916 326047980 /nfs/dbraw/zinc/04/79/80/326047980.db2.gz DZVMFSJPGHWYDU-SECBINFHSA-N 1 2 241.360 1.458 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615830806 368477151 /nfs/dbraw/zinc/47/71/51/368477151.db2.gz BAXSYZMDXSJYIW-MXWKQRLJSA-N 1 2 247.342 1.677 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615830806 368477158 /nfs/dbraw/zinc/47/71/58/368477158.db2.gz BAXSYZMDXSJYIW-MXWKQRLJSA-N 1 2 247.342 1.677 20 0 BDADLO CN(C)c1ccc(CNC(=O)N2CCCC2)c[nH+]1 ZINC000046884305 368453206 /nfs/dbraw/zinc/45/32/06/368453206.db2.gz FLHRBLHZGPFGAT-UHFFFAOYSA-N 1 2 248.330 1.453 20 0 BDADLO CC(C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047608688 368464742 /nfs/dbraw/zinc/46/47/42/368464742.db2.gz ZYEBYZYEXCGOBM-GFCCVEGCSA-N 1 2 247.342 1.823 20 0 BDADLO CCCCOCC[NH+]1CCN(C(=O)OC)CC1 ZINC000056291116 368468419 /nfs/dbraw/zinc/46/84/19/368468419.db2.gz AZGMVUBGCTWQEM-UHFFFAOYSA-N 1 2 244.335 1.187 20 0 BDADLO CC[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000057379660 368489494 /nfs/dbraw/zinc/48/94/94/368489494.db2.gz BZAJPQKFYHOEJP-LLVKDONJSA-N 1 2 238.335 1.761 20 0 BDADLO O=C(COCC1CC1)NCCNc1cccc[nH+]1 ZINC000063704847 368592854 /nfs/dbraw/zinc/59/28/54/368592854.db2.gz GGZZRXQMZTYNGX-UHFFFAOYSA-N 1 2 249.314 1.036 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H](C)C2CC2)no1 ZINC000065431260 368622176 /nfs/dbraw/zinc/62/21/76/368622176.db2.gz PORXBGDXXXPNIB-MRVPVSSYSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H](C)C2CC2)no1 ZINC000065431260 368622181 /nfs/dbraw/zinc/62/21/81/368622181.db2.gz PORXBGDXXXPNIB-MRVPVSSYSA-N 1 2 209.293 1.862 20 0 BDADLO CCCOCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000065580582 368623675 /nfs/dbraw/zinc/62/36/75/368623675.db2.gz RCKZUXIHKLIXGZ-UHFFFAOYSA-N 1 2 247.298 1.377 20 0 BDADLO Cc1cc(NC(=O)CCN2CCCC2=O)cc[nH+]1 ZINC000069370395 370923251 /nfs/dbraw/zinc/92/32/51/370923251.db2.gz WWLSKEDKNSSPDG-UHFFFAOYSA-N 1 2 247.298 1.341 20 0 BDADLO CCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000259708213 370930603 /nfs/dbraw/zinc/93/06/03/370930603.db2.gz LTFHCWKCMHLUBQ-VIFPVBQESA-N 1 2 217.334 1.377 20 0 BDADLO CCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000259708213 370930607 /nfs/dbraw/zinc/93/06/07/370930607.db2.gz LTFHCWKCMHLUBQ-VIFPVBQESA-N 1 2 217.334 1.377 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CC[C@@H]1C1CC1 ZINC000457396918 203055049 /nfs/dbraw/zinc/05/50/49/203055049.db2.gz ZKRVGMYYGYFGCM-GFCCVEGCSA-N 1 2 248.330 1.467 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCC1 ZINC000069066787 368744984 /nfs/dbraw/zinc/74/49/84/368744984.db2.gz JPGZKJBWYQRCFX-SNVBAGLBSA-N 1 2 222.288 1.505 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCC1 ZINC000069066787 368744987 /nfs/dbraw/zinc/74/49/87/368744987.db2.gz JPGZKJBWYQRCFX-SNVBAGLBSA-N 1 2 222.288 1.505 20 0 BDADLO Cc1cccn2c(NC(=O)[C@H]3CCOC3)c[nH+]c12 ZINC000619013789 368955165 /nfs/dbraw/zinc/95/51/65/368955165.db2.gz YXDVVZNLXWVEAC-JTQLQIEISA-N 1 2 245.282 1.618 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(C)(C)C ZINC000616111042 368958007 /nfs/dbraw/zinc/95/80/07/368958007.db2.gz AILJKOOZUOTNBE-DCAQKATOSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)C[NH+]1CCOCC1 ZINC000616165540 369000245 /nfs/dbraw/zinc/00/02/45/369000245.db2.gz RZEGZLYWPPAKOX-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)C(F)(F)F ZINC000616203499 369047253 /nfs/dbraw/zinc/04/72/53/369047253.db2.gz YIPTXXUKVKAOQR-UHFFFAOYSA-N 1 2 249.236 1.420 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000060408340 369028116 /nfs/dbraw/zinc/02/81/16/369028116.db2.gz GCCPXWNSCCFFOM-WDEREUQCSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000457556470 203073906 /nfs/dbraw/zinc/07/39/06/203073906.db2.gz HTLMTSAITFLFAX-QMMMGPOBSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000457546077 203074252 /nfs/dbraw/zinc/07/42/52/203074252.db2.gz FVYQIUDBSLNJFO-VIFPVBQESA-N 1 2 221.304 1.804 20 0 BDADLO CCc1nc(C(=O)NC2C[NH+](C(C)C)C2)co1 ZINC000457728590 203095006 /nfs/dbraw/zinc/09/50/06/203095006.db2.gz VOUXNJIYCIUXGJ-UHFFFAOYSA-N 1 2 237.303 1.059 20 0 BDADLO C[C@@H]1CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457857449 203112786 /nfs/dbraw/zinc/11/27/86/203112786.db2.gz MGFBKNAVRJYUGW-ZYHUDNBSSA-N 1 2 235.331 1.515 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457873955 203115157 /nfs/dbraw/zinc/11/51/57/203115157.db2.gz QGCIHADZRZDYBU-AAEUAGOBSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CF)CC2 ZINC000627298066 369195631 /nfs/dbraw/zinc/19/56/31/369195631.db2.gz AARWAOJBUKQYEF-WPRPVWTQSA-N 1 2 239.294 1.228 20 0 BDADLO Cc1cccn2c(NC(=O)[C@H](O)C(C)C)c[nH+]c12 ZINC000619015238 369258089 /nfs/dbraw/zinc/25/80/89/369258089.db2.gz AYKQDEYDCQIQCC-LLVKDONJSA-N 1 2 247.298 1.598 20 0 BDADLO Cc1cccn2c(NC(=O)CC(C)(C)O)c[nH+]c12 ZINC000619014843 369258423 /nfs/dbraw/zinc/25/84/23/369258423.db2.gz VACNDOPAHJWRFT-UHFFFAOYSA-N 1 2 247.298 1.742 20 0 BDADLO CCn1nncc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000459290387 203247572 /nfs/dbraw/zinc/24/75/72/203247572.db2.gz BLSXETZWCZKUGN-SNVBAGLBSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000459290387 203247576 /nfs/dbraw/zinc/24/75/76/203247576.db2.gz BLSXETZWCZKUGN-SNVBAGLBSA-N 1 2 238.335 1.297 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459319768 203255040 /nfs/dbraw/zinc/25/50/40/203255040.db2.gz DWZIKHXKYGWIGG-JTQLQIEISA-N 1 2 233.315 1.575 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459319768 203255044 /nfs/dbraw/zinc/25/50/44/203255044.db2.gz DWZIKHXKYGWIGG-JTQLQIEISA-N 1 2 233.315 1.575 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)no1 ZINC000459345925 203263094 /nfs/dbraw/zinc/26/30/94/203263094.db2.gz KECBEQACSOFFGF-CABZTGNLSA-N 1 2 222.288 1.805 20 0 BDADLO COCc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]32)no1 ZINC000459345925 203263097 /nfs/dbraw/zinc/26/30/97/203263097.db2.gz KECBEQACSOFFGF-CABZTGNLSA-N 1 2 222.288 1.805 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2C(C)C)cc[nH+]1 ZINC000459485459 203288781 /nfs/dbraw/zinc/28/87/81/203288781.db2.gz RHSNADLMMGBZAF-NWDGAFQWSA-N 1 2 233.315 1.978 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cnn(C)c1 ZINC000623680300 369387681 /nfs/dbraw/zinc/38/76/81/369387681.db2.gz GLNBVKWWSZDAMA-UHFFFAOYSA-N 1 2 203.236 1.555 20 0 BDADLO Cc1nc(C[NH2+]C(C)(C)C(=O)N(C)C)cs1 ZINC000108422363 369392945 /nfs/dbraw/zinc/39/29/45/369392945.db2.gz CGYILCAOWFGKSL-UHFFFAOYSA-N 1 2 241.360 1.408 20 0 BDADLO CC(C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000057375459 369393020 /nfs/dbraw/zinc/39/30/20/369393020.db2.gz VETQMSNQIAYNAO-UHFFFAOYSA-N 1 2 224.308 1.371 20 0 BDADLO OCCC1C[NH+](Cc2ccc(Cl)o2)C1 ZINC000459589449 203309811 /nfs/dbraw/zinc/30/98/11/203309811.db2.gz IUNYHSQFOFQIQY-UHFFFAOYSA-N 1 2 215.680 1.747 20 0 BDADLO COC1C[NH+](Cc2cccc3c2OCO3)C1 ZINC000459589818 203310073 /nfs/dbraw/zinc/31/00/73/203310073.db2.gz XQEPKFUYCGLZGM-UHFFFAOYSA-N 1 2 221.256 1.246 20 0 BDADLO Cn1ccc(C[NH+]2CC(OCC(F)F)C2)c1 ZINC000459588740 203310614 /nfs/dbraw/zinc/31/06/14/203310614.db2.gz HUPXQYASISYCOH-UHFFFAOYSA-N 1 2 230.258 1.491 20 0 BDADLO CCOC1C[NH+](Cc2ccc(N(C)CC)nc2)C1 ZINC000459603471 203313267 /nfs/dbraw/zinc/31/32/67/203313267.db2.gz HZEBSOCIOYQCRI-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(CC)no1 ZINC000107678704 369356674 /nfs/dbraw/zinc/35/66/74/369356674.db2.gz PTBDFTSQFSUARH-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(CC)no1 ZINC000107678704 369356677 /nfs/dbraw/zinc/35/66/77/369356677.db2.gz PTBDFTSQFSUARH-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(CO)C2)cc1O ZINC000459621469 203318705 /nfs/dbraw/zinc/31/87/05/203318705.db2.gz NKZBWMTWTBOUJX-UHFFFAOYSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccncc2)C1 ZINC000459626582 203320737 /nfs/dbraw/zinc/32/07/37/203320737.db2.gz VJYXNCVFIPUGIB-UHFFFAOYSA-N 1 2 206.289 1.692 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000403845971 369413493 /nfs/dbraw/zinc/41/34/93/369413493.db2.gz FBXFJYCYRCQZNY-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000403845971 369413497 /nfs/dbraw/zinc/41/34/97/369413497.db2.gz FBXFJYCYRCQZNY-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC1(C)C[NH+](Cc2cccc(OC)n2)C1 ZINC000459623797 203321639 /nfs/dbraw/zinc/32/16/39/203321639.db2.gz QZESCHMWBXQKGX-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCCC[C@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000230696673 369457440 /nfs/dbraw/zinc/45/74/40/369457440.db2.gz KUIHCFYGMXYOCO-ILDUYXDCSA-N 1 2 229.320 1.485 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459746119 203352393 /nfs/dbraw/zinc/35/23/93/203352393.db2.gz YZOODKXHUQKLIC-LLVKDONJSA-N 1 2 239.290 1.539 20 0 BDADLO CCOC[C@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459746119 203352395 /nfs/dbraw/zinc/35/23/95/203352395.db2.gz YZOODKXHUQKLIC-LLVKDONJSA-N 1 2 239.290 1.539 20 0 BDADLO OCCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631032057 370969340 /nfs/dbraw/zinc/96/93/40/370969340.db2.gz QPHJVHNZGIBVHR-UHFFFAOYSA-N 1 2 232.287 1.581 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000459789416 203370595 /nfs/dbraw/zinc/37/05/95/203370595.db2.gz GKOPPGNTYZZYCR-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ccc(CN(C)c2nc(C)[nH+]c(N)n2)o1 ZINC000631037872 370992359 /nfs/dbraw/zinc/99/23/59/370992359.db2.gz ZLIHOFXFQSPLQN-UHFFFAOYSA-N 1 2 233.275 1.130 20 0 BDADLO Cc1ccc(CN(C)c2nc(N)nc(C)[nH+]2)o1 ZINC000631037872 370992366 /nfs/dbraw/zinc/99/23/66/370992366.db2.gz ZLIHOFXFQSPLQN-UHFFFAOYSA-N 1 2 233.275 1.130 20 0 BDADLO Cc1c[nH]cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000619744411 369569411 /nfs/dbraw/zinc/56/94/11/369569411.db2.gz QKSBIYQQFXOXEQ-UHFFFAOYSA-N 1 2 246.314 1.730 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620075078 369708340 /nfs/dbraw/zinc/70/83/40/369708340.db2.gz PCZJYAMQKCKNFO-YMTOWFKASA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620075078 369708345 /nfs/dbraw/zinc/70/83/45/369708345.db2.gz PCZJYAMQKCKNFO-YMTOWFKASA-N 1 2 247.342 1.819 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C2CCC2)C1 ZINC000620203787 369765415 /nfs/dbraw/zinc/76/54/15/369765415.db2.gz YUQOBYCKFVRWAJ-CYBMUJFWSA-N 1 2 247.342 1.922 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1[nH+]ccn1C ZINC000620603726 369951765 /nfs/dbraw/zinc/95/17/65/369951765.db2.gz KWQPEIPGSGLDIW-GUBZILKMSA-N 1 2 237.303 1.022 20 0 BDADLO CCC[C@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604627 369952759 /nfs/dbraw/zinc/95/27/59/369952759.db2.gz VYSIQPZGECJDLA-SKDRFNHKSA-N 1 2 239.319 1.148 20 0 BDADLO Cc1ccc(CC(=O)N[C@H](C)c2[nH+]ccn2C)o1 ZINC000620604772 369953533 /nfs/dbraw/zinc/95/35/33/369953533.db2.gz WPSMSTMAFSTIBX-SNVBAGLBSA-N 1 2 247.298 1.741 20 0 BDADLO C[C@H](NC(=O)C(C)(C)C(F)F)c1[nH+]ccn1C ZINC000620606495 369954068 /nfs/dbraw/zinc/95/40/68/369954068.db2.gz UQVGEDDGFSVAEX-ZETCQYMHSA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1[nH+]ccn1C ZINC000620592486 369945559 /nfs/dbraw/zinc/94/55/59/369945559.db2.gz SSXFXGQFRKUERB-MRVPVSSYSA-N 1 2 246.270 1.012 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)n1C ZINC000620597494 369947660 /nfs/dbraw/zinc/94/76/60/369947660.db2.gz PHMALYZIWBGUTJ-SNVBAGLBSA-N 1 2 246.314 1.558 20 0 BDADLO Cc1ocnc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620595171 369948079 /nfs/dbraw/zinc/94/80/79/369948079.db2.gz JISLVAPBJVNHOW-ZETCQYMHSA-N 1 2 234.259 1.208 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC(C)(C)C1 ZINC000620744395 369992625 /nfs/dbraw/zinc/99/26/25/369992625.db2.gz ZUJMMYWALNNPII-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NC1CC(C)(C)C1 ZINC000620744395 369992627 /nfs/dbraw/zinc/99/26/27/369992627.db2.gz ZUJMMYWALNNPII-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cn(C)nc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000620926644 370061764 /nfs/dbraw/zinc/06/17/64/370061764.db2.gz OYQPMIFUDSRNIO-JTQLQIEISA-N 1 2 247.302 1.515 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2CC1(C)C2 ZINC000621217961 370165441 /nfs/dbraw/zinc/16/54/41/370165441.db2.gz OFPADTDENPCJJN-JXRVJTEKSA-N 1 2 245.326 1.535 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)ccn1 ZINC000621280832 370212199 /nfs/dbraw/zinc/21/21/99/370212199.db2.gz GHHFTDSMIIRJEG-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@H]2C)ccn1 ZINC000621280832 370212202 /nfs/dbraw/zinc/21/22/02/370212202.db2.gz GHHFTDSMIIRJEG-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cc[nH]n2)nn1C ZINC000309752032 370253285 /nfs/dbraw/zinc/25/32/85/370253285.db2.gz GZKSQFDCJDXYEQ-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cncc(Cl)c2)C1 ZINC000621311495 370236242 /nfs/dbraw/zinc/23/62/42/370236242.db2.gz MNHUVDGRKONGSU-UHFFFAOYSA-N 1 2 239.706 1.042 20 0 BDADLO CC[C@H](C[C@H](C)CO)Nc1cc(C)[nH+]cn1 ZINC000309685178 370243946 /nfs/dbraw/zinc/24/39/46/370243946.db2.gz HGWLAKRLQPNSCK-GXSJLCMTSA-N 1 2 223.320 1.994 20 0 BDADLO C[C@H]1CSC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000309827272 370264513 /nfs/dbraw/zinc/26/45/13/370264513.db2.gz XPFMBFIZOLIEGV-CBAPKCEASA-N 1 2 239.344 1.788 20 0 BDADLO Cc1ccc(O)c(C[NH2+]Cc2cocn2)n1 ZINC000309883189 370272034 /nfs/dbraw/zinc/27/20/34/370272034.db2.gz WQSSVMPKRNSGNG-UHFFFAOYSA-N 1 2 219.244 1.373 20 0 BDADLO Cc1nccnc1C[NH2+][C@H](CCO)c1ccco1 ZINC000621344551 370277551 /nfs/dbraw/zinc/27/75/51/370277551.db2.gz LCAOTFGGBOYSBP-LLVKDONJSA-N 1 2 247.298 1.591 20 0 BDADLO Cc1nc(N2CC[C@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000621349226 370284480 /nfs/dbraw/zinc/28/44/80/370284480.db2.gz KYENVZCTILCMLT-ONGXEEELSA-N 1 2 221.304 1.240 20 0 BDADLO CC1CC(CNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000621354229 370290342 /nfs/dbraw/zinc/29/03/42/370290342.db2.gz CMHFZSNSPRJSLD-UHFFFAOYSA-N 1 2 242.326 1.922 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC(CC2CC2)C1 ZINC000621358600 370292512 /nfs/dbraw/zinc/29/25/12/370292512.db2.gz NGGOFRKPNYOBPP-UHFFFAOYSA-N 1 2 243.314 1.600 20 0 BDADLO CCc1cc(NC[C@](C)(O)CCOC)nc[nH+]1 ZINC000226530663 370351778 /nfs/dbraw/zinc/35/17/78/370351778.db2.gz KOHYKJLWKXXFBT-GFCCVEGCSA-N 1 2 239.319 1.238 20 0 BDADLO Cc1cc(C[N@H+](CC(N)=O)C2CCCC2)no1 ZINC000076995668 370374196 /nfs/dbraw/zinc/37/41/96/370374196.db2.gz GPMMEFVHRLQRTF-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cc(C[N@@H+](CC(N)=O)C2CCCC2)no1 ZINC000076995668 370374198 /nfs/dbraw/zinc/37/41/98/370374198.db2.gz GPMMEFVHRLQRTF-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO CN(CC1CC1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077192256 370398071 /nfs/dbraw/zinc/39/80/71/370398071.db2.gz QSJXYGGIJHLFJK-UHFFFAOYSA-N 1 2 229.287 1.509 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621708846 370453338 /nfs/dbraw/zinc/45/33/38/370453338.db2.gz BYZVTDFMIVEWDE-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621708846 370453341 /nfs/dbraw/zinc/45/33/41/370453341.db2.gz BYZVTDFMIVEWDE-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO CCOc1cncc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000621710921 370456156 /nfs/dbraw/zinc/45/61/56/370456156.db2.gz XEWIGMHBHXTVRD-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cncc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000621710921 370456159 /nfs/dbraw/zinc/45/61/59/370456159.db2.gz XEWIGMHBHXTVRD-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO Cc1occc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621711474 370457346 /nfs/dbraw/zinc/45/73/46/370457346.db2.gz VXZJTZWEHVYUGI-UHFFFAOYSA-N 1 2 247.298 1.905 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2nccnc2C)cn1 ZINC000621716735 370464596 /nfs/dbraw/zinc/46/45/96/370464596.db2.gz KUEJJUUHOQEXFA-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2nccnc2C)cn1 ZINC000621716735 370464600 /nfs/dbraw/zinc/46/46/00/370464600.db2.gz KUEJJUUHOQEXFA-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCOc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000621716715 370465159 /nfs/dbraw/zinc/46/51/59/370465159.db2.gz KENHAVKEOSWLOM-BETUJISGSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000621716715 370465161 /nfs/dbraw/zinc/46/51/61/370465161.db2.gz KENHAVKEOSWLOM-BETUJISGSA-N 1 2 248.326 1.844 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000115161449 370627502 /nfs/dbraw/zinc/62/75/02/370627502.db2.gz NPGNLGNMRFLWMR-GHMZBOCLSA-N 1 2 233.315 1.656 20 0 BDADLO CC(C)(C(=O)N1CC[C@H](C2CC2)C1)c1c[nH+]c[nH]1 ZINC000621937986 370610276 /nfs/dbraw/zinc/61/02/76/370610276.db2.gz SDIXNSWXQPJRCX-NSHDSACASA-N 1 2 247.342 1.946 20 0 BDADLO Cc1cc(CNC(=O)CCn2cc[nH+]c2)ccn1 ZINC000622632941 371025131 /nfs/dbraw/zinc/02/51/31/371025131.db2.gz RTKGQVMMEWPWBB-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO CO[C@H](C)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000622683347 371061077 /nfs/dbraw/zinc/06/10/77/371061077.db2.gz PINYDVKRVLRVOK-SSDOTTSWSA-N 1 2 243.332 1.178 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(CCF)CC2)c1 ZINC000622686630 371064337 /nfs/dbraw/zinc/06/43/37/371064337.db2.gz OLHSRSZDSVPLGS-UHFFFAOYSA-N 1 2 239.294 1.219 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000568940694 326382750 /nfs/dbraw/zinc/38/27/50/326382750.db2.gz BSAPVUPGCBEFEH-JTQLQIEISA-N 1 2 209.293 1.386 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)o1 ZINC000624017702 371253269 /nfs/dbraw/zinc/25/32/69/371253269.db2.gz CYEWYHZMMJDLGP-MNOVXSKESA-N 1 2 249.314 1.706 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccco1 ZINC000624018462 371253694 /nfs/dbraw/zinc/25/36/94/371253694.db2.gz RWXHHDINXPYVJD-NXEZZACHSA-N 1 2 235.287 1.397 20 0 BDADLO C/C=C\CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000624086458 371298744 /nfs/dbraw/zinc/29/87/44/371298744.db2.gz GZCVQHPZBHYBLC-XADBCAIWSA-N 1 2 234.303 1.142 20 0 BDADLO C/C=C\CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000624086458 371298747 /nfs/dbraw/zinc/29/87/47/371298747.db2.gz GZCVQHPZBHYBLC-XADBCAIWSA-N 1 2 234.303 1.142 20 0 BDADLO C[C@@H](O)CN(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631074084 371354990 /nfs/dbraw/zinc/35/49/90/371354990.db2.gz YNTNOYPDPCAVHC-MRVPVSSYSA-N 1 2 246.314 1.652 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nnc(C)n2C)C1 ZINC000156002979 371339179 /nfs/dbraw/zinc/33/91/79/371339179.db2.gz ZWQAMACHFNMSIW-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000156002979 371339181 /nfs/dbraw/zinc/33/91/81/371339181.db2.gz ZWQAMACHFNMSIW-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CCC[C@@H](C[NH2+][C@@H](C)c1ncn(C)n1)OC ZINC000391830847 371339197 /nfs/dbraw/zinc/33/91/97/371339197.db2.gz PJEHKCVEQYHJEC-UWVGGRQHSA-N 1 2 226.324 1.281 20 0 BDADLO COCCOCCN(C)c1[nH+]cccc1OC ZINC000624228888 371417169 /nfs/dbraw/zinc/41/71/69/371417169.db2.gz FMYXXULGZZWOFP-UHFFFAOYSA-N 1 2 240.303 1.189 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2COC[C@@H]2C1 ZINC000624183114 371373747 /nfs/dbraw/zinc/37/37/47/371373747.db2.gz CTIQWZYFXLYTIO-AOOOYVTPSA-N 1 2 220.272 1.173 20 0 BDADLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCF ZINC000125887797 371435849 /nfs/dbraw/zinc/43/58/49/371435849.db2.gz HJAUMOCOKVQSQI-GFCCVEGCSA-N 1 2 239.290 1.720 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2COC[C@]2(C)C1 ZINC000624399620 371500892 /nfs/dbraw/zinc/50/08/92/371500892.db2.gz QTGBIMOKZPRNCX-MFKMUULPSA-N 1 2 234.299 1.563 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000131090988 371557267 /nfs/dbraw/zinc/55/72/67/371557267.db2.gz ZAGQCTUJUCGQLJ-GUBZILKMSA-N 1 2 231.336 1.730 20 0 BDADLO COc1ccc[nH+]c1N1CC2(C1)CCCO2 ZINC000624544264 371538437 /nfs/dbraw/zinc/53/84/37/371538437.db2.gz KFCNEQUKQFMONM-UHFFFAOYSA-N 1 2 220.272 1.459 20 0 BDADLO COCC1(CNc2[nH+]cccc2OC)CC1 ZINC000624373458 371495451 /nfs/dbraw/zinc/49/54/51/371495451.db2.gz NSRDLYIDJDJYQY-UHFFFAOYSA-N 1 2 222.288 1.929 20 0 BDADLO COc1ccc[nH+]c1N(C)Cc1nnc(C)o1 ZINC000624394761 371499272 /nfs/dbraw/zinc/49/92/72/371499272.db2.gz QHEBUGQXWZGSQP-UHFFFAOYSA-N 1 2 234.259 1.418 20 0 BDADLO Cc1c[nH]cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627366174 371584470 /nfs/dbraw/zinc/58/44/70/371584470.db2.gz KBYBAKGNCPFXQW-UHFFFAOYSA-N 1 2 230.271 1.245 20 0 BDADLO Cc1c[nH]cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627366174 371584474 /nfs/dbraw/zinc/58/44/74/371584474.db2.gz KBYBAKGNCPFXQW-UHFFFAOYSA-N 1 2 230.271 1.245 20 0 BDADLO O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCc2[nH]c[nH+]c2C1 ZINC000627374033 371590981 /nfs/dbraw/zinc/59/09/81/371590981.db2.gz IFPJQFXCOGNCDK-MXWKQRLJSA-N 1 2 245.326 1.731 20 0 BDADLO O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCc2[nH+]c[nH]c2C1 ZINC000627374033 371590987 /nfs/dbraw/zinc/59/09/87/371590987.db2.gz IFPJQFXCOGNCDK-MXWKQRLJSA-N 1 2 245.326 1.731 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627508870 371669077 /nfs/dbraw/zinc/66/90/77/371669077.db2.gz ARKWQIONHZSVES-RYUDHWBXSA-N 1 2 247.342 1.765 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000226748956 371735619 /nfs/dbraw/zinc/73/56/19/371735619.db2.gz QLRQBXVSNAZBPM-LOKLDPHHSA-N 1 2 237.303 1.085 20 0 BDADLO COC(=O)[C@H](NCCn1cc[nH+]c1)C(C)(C)C ZINC000132054971 371749907 /nfs/dbraw/zinc/74/99/07/371749907.db2.gz AONIHYJHFDDCRS-JTQLQIEISA-N 1 2 239.319 1.060 20 0 BDADLO CCc1cc(NCC[C@@H](C)[S@@](C)=O)nc[nH+]1 ZINC000133103404 371988339 /nfs/dbraw/zinc/98/83/39/371988339.db2.gz PFRBGGDXSQROTA-ABKXIKBNSA-N 1 2 241.360 1.608 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1ncnn1C(C)C ZINC000631183010 372220993 /nfs/dbraw/zinc/22/09/93/372220993.db2.gz ZKMKPLXACUGKBO-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO CCCCc1cc(NC[C@](C)(O)C2CC2)nc[nH+]1 ZINC000631116267 372203500 /nfs/dbraw/zinc/20/35/00/372203500.db2.gz IASASRIMQFUQJR-AWEZNQCLSA-N 1 2 249.358 1.814 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)cc[nH+]1 ZINC000631253783 372262669 /nfs/dbraw/zinc/26/26/69/372262669.db2.gz KEYYWFONZZOXBG-HOSYDEDBSA-N 1 2 234.299 1.564 20 0 BDADLO CC[C@@H](O)CNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631308650 372288495 /nfs/dbraw/zinc/28/84/95/372288495.db2.gz FJELZRXLODBZFB-SECBINFHSA-N 1 2 248.330 1.686 20 0 BDADLO Cc1cc(C)cc(CNc2nc(C)[nH+]c(N)n2)c1 ZINC000631357593 372312682 /nfs/dbraw/zinc/31/26/82/372312682.db2.gz DTKCGJGKAUXUID-UHFFFAOYSA-N 1 2 243.314 1.243 20 0 BDADLO Cc1cc(C)cc(CNc2nc(N)nc(C)[nH+]2)c1 ZINC000631357593 372312686 /nfs/dbraw/zinc/31/26/86/372312686.db2.gz DTKCGJGKAUXUID-UHFFFAOYSA-N 1 2 243.314 1.243 20 0 BDADLO O=C1CC[C@@H](CNc2cc3ccccc3c[nH+]2)N1 ZINC000631365603 372316543 /nfs/dbraw/zinc/31/65/43/372316543.db2.gz WOQDMPZEIPGBHW-LBPRGKRZSA-N 1 2 241.294 1.925 20 0 BDADLO CC(C)(F)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000631407288 372341834 /nfs/dbraw/zinc/34/18/34/372341834.db2.gz AAOHQXGTWKBUFD-UHFFFAOYSA-N 1 2 238.310 1.880 20 0 BDADLO CC(C)(F)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000631407288 372341840 /nfs/dbraw/zinc/34/18/40/372341840.db2.gz AAOHQXGTWKBUFD-UHFFFAOYSA-N 1 2 238.310 1.880 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCCC23CC3)[nH+]1 ZINC000631419447 372351138 /nfs/dbraw/zinc/35/11/38/372351138.db2.gz UXEBJWOZBQACNI-SNVBAGLBSA-N 1 2 247.346 1.413 20 0 BDADLO Cc1nc(N[C@@H]2CCCC23CC3)nc(N(C)C)[nH+]1 ZINC000631419447 372351139 /nfs/dbraw/zinc/35/11/39/372351139.db2.gz UXEBJWOZBQACNI-SNVBAGLBSA-N 1 2 247.346 1.413 20 0 BDADLO Cc1conc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000631424947 372354990 /nfs/dbraw/zinc/35/49/90/372354990.db2.gz XHHFSFZJZSZONJ-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO OC[C@H]1C[C@@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000631426140 372356459 /nfs/dbraw/zinc/35/64/59/372356459.db2.gz OHGGJEVFUUPPJH-DTORHVGOSA-N 1 2 217.272 1.168 20 0 BDADLO CCC[C@@H](CCO)Nc1cc[nH+]c(C)n1 ZINC000631426151 372356631 /nfs/dbraw/zinc/35/66/31/372356631.db2.gz FYPIVANFWVUOEO-JTQLQIEISA-N 1 2 209.293 1.748 20 0 BDADLO CCC[C@H](CCO)Nc1cc[nH+]c(C)n1 ZINC000631426152 372356717 /nfs/dbraw/zinc/35/67/17/372356717.db2.gz FYPIVANFWVUOEO-SNVBAGLBSA-N 1 2 209.293 1.748 20 0 BDADLO CC[C@]1(O)CCCN(c2[nH+]cccc2OC)C1 ZINC000631487071 372390186 /nfs/dbraw/zinc/39/01/86/372390186.db2.gz OPTTVMAKUVGUPE-ZDUSSCGKSA-N 1 2 236.315 1.832 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccc(C)o1 ZINC000631509869 372399745 /nfs/dbraw/zinc/39/97/45/372399745.db2.gz ZKKKOUMQMBQBJT-UHFFFAOYSA-N 1 2 233.271 1.729 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000631703395 372513429 /nfs/dbraw/zinc/51/34/29/372513429.db2.gz OTBRTQLAHQGZCG-WQWPXVFUSA-N 1 2 223.320 1.935 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C1CSC1 ZINC000631821917 372596766 /nfs/dbraw/zinc/59/67/66/372596766.db2.gz NGIMLCVRZQXWHV-UHFFFAOYSA-N 1 2 247.323 1.314 20 0 BDADLO Cc1nocc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000632023155 372727654 /nfs/dbraw/zinc/72/76/54/372727654.db2.gz GDFIAKLAMILBEB-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO CN(C(=O)NCc1[nH]cc[nH+]1)C1CCCC1 ZINC000632143081 372779338 /nfs/dbraw/zinc/77/93/38/372779338.db2.gz NBWGZZVMCKMERA-UHFFFAOYSA-N 1 2 222.292 1.494 20 0 BDADLO CCOC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000171947922 372839073 /nfs/dbraw/zinc/83/90/73/372839073.db2.gz BKLWSRUFBAZYOW-UHFFFAOYSA-N 1 2 209.293 1.411 20 0 BDADLO O=C(COc1cc[nH+]cc1)NC1CCCC1 ZINC000276441128 182004112 /nfs/dbraw/zinc/00/41/12/182004112.db2.gz KHUYAWBLBPTLFH-UHFFFAOYSA-N 1 2 220.272 1.519 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)NCCn1cc[nH+]c1 ZINC000186204594 182015652 /nfs/dbraw/zinc/01/56/52/182015652.db2.gz VWBVHAMCBMZYIK-GFCCVEGCSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1nocc1C)CC2 ZINC000632383160 372911987 /nfs/dbraw/zinc/91/19/87/372911987.db2.gz XRWVBGCEQNQHCN-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCSC1 ZINC000291525664 182070937 /nfs/dbraw/zinc/07/09/37/182070937.db2.gz SDBGISQXWFYIGY-JTQLQIEISA-N 1 2 239.344 1.143 20 0 BDADLO CCCCNC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632732627 373119824 /nfs/dbraw/zinc/11/98/24/373119824.db2.gz CSYDSLNQCIUQMD-UHFFFAOYSA-N 1 2 238.335 1.718 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1occ2c1CCC2 ZINC000336440071 182085560 /nfs/dbraw/zinc/08/55/60/182085560.db2.gz KFJGTOHBEVNHMO-UHFFFAOYSA-N 1 2 244.250 1.543 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632986240 373243211 /nfs/dbraw/zinc/24/32/11/373243211.db2.gz VNDDFYUZVBDEGD-VHSXEESVSA-N 1 2 236.319 1.740 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633096676 373294179 /nfs/dbraw/zinc/29/41/79/373294179.db2.gz LYTGHOYVRFJSSO-JTQLQIEISA-N 1 2 238.335 1.843 20 0 BDADLO CC(C)=CCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633185591 373330873 /nfs/dbraw/zinc/33/08/73/373330873.db2.gz BCUBJDHPFBQCTQ-UHFFFAOYSA-N 1 2 236.319 1.907 20 0 BDADLO COC[C@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000173445246 205542245 /nfs/dbraw/zinc/54/22/45/205542245.db2.gz OXUWDRSUYHQDJH-VIFPVBQESA-N 1 2 240.269 1.201 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]1C(F)F ZINC000633248416 373409093 /nfs/dbraw/zinc/40/90/93/373409093.db2.gz SXJGDCRTAOVDMK-QMMMGPOBSA-N 1 2 229.230 1.139 20 0 BDADLO CC[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(F)F ZINC000633270149 373430072 /nfs/dbraw/zinc/43/00/72/373430072.db2.gz ZCBJSWLKVFHSEG-ZETCQYMHSA-N 1 2 246.261 1.595 20 0 BDADLO Cc1nocc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000633280022 373443378 /nfs/dbraw/zinc/44/33/78/373443378.db2.gz CUYSHTCPFKSWGZ-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1nocc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000633280022 373443384 /nfs/dbraw/zinc/44/33/84/373443384.db2.gz CUYSHTCPFKSWGZ-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO CCOC(C)(C)C(=O)NCc1[nH+]ccn1CC ZINC000633285008 373448881 /nfs/dbraw/zinc/44/88/81/373448881.db2.gz FVSDKQOXZGYHNP-UHFFFAOYSA-N 1 2 239.319 1.334 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1nocc1C ZINC000633288667 373452845 /nfs/dbraw/zinc/45/28/45/373452845.db2.gz NTMUMVSAUAYHJB-VIFPVBQESA-N 1 2 248.286 1.690 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000633305800 373463102 /nfs/dbraw/zinc/46/31/02/373463102.db2.gz ZHAWJXMVNSBXGC-VWYCJHECSA-N 1 2 248.330 1.740 20 0 BDADLO Cc1conc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000633360754 373495505 /nfs/dbraw/zinc/49/55/05/373495505.db2.gz LUGYDBLWBVQIAM-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO C/C=C/CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633373519 373503697 /nfs/dbraw/zinc/50/36/97/373503697.db2.gz OIPJRJCFLZZPEI-ONEGZZNKSA-N 1 2 208.265 1.127 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C(F)F)CCC1 ZINC000633601620 373619933 /nfs/dbraw/zinc/61/99/33/373619933.db2.gz KEDNQBUTAXUPCA-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C(F)F)CCC1 ZINC000633601620 373619943 /nfs/dbraw/zinc/61/99/43/373619943.db2.gz KEDNQBUTAXUPCA-UHFFFAOYSA-N 1 2 243.257 1.804 20 0 BDADLO C[C@@H](C(=O)NCC(C)(C)F)[NH+]1CCSCC1 ZINC000633723541 373716955 /nfs/dbraw/zinc/71/69/55/373716955.db2.gz QBQBVRCYCULWLE-VIFPVBQESA-N 1 2 248.367 1.288 20 0 BDADLO O=C(NCCCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC000360803955 182163223 /nfs/dbraw/zinc/16/32/23/182163223.db2.gz SQBHQNMRFUGOEQ-SNVBAGLBSA-N 1 2 239.294 1.311 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1ccon1 ZINC000136186669 182169433 /nfs/dbraw/zinc/16/94/33/182169433.db2.gz AXNRPVGTGGYPSN-UHFFFAOYSA-N 1 2 246.270 1.302 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC12CC2 ZINC000633782488 373758258 /nfs/dbraw/zinc/75/82/58/373758258.db2.gz ZCSBYQVSKPFYLJ-LLVKDONJSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC12CC2 ZINC000633782488 373758265 /nfs/dbraw/zinc/75/82/65/373758265.db2.gz ZCSBYQVSKPFYLJ-LLVKDONJSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CCCCO1 ZINC000283171577 182177973 /nfs/dbraw/zinc/17/79/73/182177973.db2.gz PJBHXAAJNCOSNG-UHFFFAOYSA-N 1 2 238.291 1.010 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1[C@@H]2CCCC[C@H]12 ZINC000072793464 182178043 /nfs/dbraw/zinc/17/80/43/182178043.db2.gz WMTOJVDOCLJBCS-FUNVUKJBSA-N 1 2 247.342 1.826 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)c1cccc(F)n1 ZINC000131100172 182178695 /nfs/dbraw/zinc/17/86/95/182178695.db2.gz AZHIWAWEHZFZAB-UHFFFAOYSA-N 1 2 248.261 1.237 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)o1 ZINC000189287821 205860008 /nfs/dbraw/zinc/86/00/08/205860008.db2.gz IVLZEMDGJNUEED-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)o1 ZINC000189287821 205860012 /nfs/dbraw/zinc/86/00/12/205860012.db2.gz IVLZEMDGJNUEED-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)O1 ZINC000634025115 373910140 /nfs/dbraw/zinc/91/01/40/373910140.db2.gz CRPOHBOHPPQUET-MXWKQRLJSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000634034197 373923024 /nfs/dbraw/zinc/92/30/24/373923024.db2.gz YCFHNRUZVZVPIG-YWVKMMECSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000634034197 373923033 /nfs/dbraw/zinc/92/30/33/373923033.db2.gz YCFHNRUZVZVPIG-YWVKMMECSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](C)O1 ZINC000634034196 373923365 /nfs/dbraw/zinc/92/33/65/373923365.db2.gz YCFHNRUZVZVPIG-WCABBAIRSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](C)O1 ZINC000634034196 373923370 /nfs/dbraw/zinc/92/33/70/373923370.db2.gz YCFHNRUZVZVPIG-WCABBAIRSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1ccncc1F ZINC000124863074 182214571 /nfs/dbraw/zinc/21/45/71/182214571.db2.gz GSVWCUHMSWFPDQ-UHFFFAOYSA-N 1 2 249.249 1.239 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@H](C2CC2)C1 ZINC000367149565 182215739 /nfs/dbraw/zinc/21/57/39/182215739.db2.gz WCXAWCZGHBRNFY-LBPRGKRZSA-N 1 2 248.330 1.325 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1sccc1F ZINC000338892024 182217586 /nfs/dbraw/zinc/21/75/86/182217586.db2.gz MPARZBOTYXJISL-UHFFFAOYSA-N 1 2 239.275 1.514 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cccc(O)c1 ZINC000042542857 182217665 /nfs/dbraw/zinc/21/76/65/182217665.db2.gz VAPSEVLJTNKZJQ-UHFFFAOYSA-N 1 2 231.255 1.019 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174349163 374183656 /nfs/dbraw/zinc/18/36/56/374183656.db2.gz RVFOMTXIKHBQSP-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174349163 374183664 /nfs/dbraw/zinc/18/36/64/374183664.db2.gz RVFOMTXIKHBQSP-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCCC1(F)F ZINC000327914984 182247328 /nfs/dbraw/zinc/24/73/28/182247328.db2.gz RLWYDELKZWUCLT-VIFPVBQESA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCCC1(F)F ZINC000327914984 182247329 /nfs/dbraw/zinc/24/73/29/182247329.db2.gz RLWYDELKZWUCLT-VIFPVBQESA-N 1 2 243.257 1.851 20 0 BDADLO C[C@@H](CC1CCC1)NC(=O)CCn1cc[nH+]c1 ZINC000634368188 374213725 /nfs/dbraw/zinc/21/37/25/374213725.db2.gz ZGMKLJTUIUKSAF-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)[C@H]2C)n1C ZINC000246496456 374268170 /nfs/dbraw/zinc/26/81/70/374268170.db2.gz ZYNFRFUPUXGWTG-BDAKNGLRSA-N 1 2 240.376 1.449 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)n1C ZINC000246496456 374268173 /nfs/dbraw/zinc/26/81/73/374268173.db2.gz ZYNFRFUPUXGWTG-BDAKNGLRSA-N 1 2 240.376 1.449 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@H]1C1CC1 ZINC000333449133 182273729 /nfs/dbraw/zinc/27/37/29/182273729.db2.gz NGYGJQFFKLIGKF-IUCAKERBSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC000070989944 182274356 /nfs/dbraw/zinc/27/43/56/182274356.db2.gz SZUZFDCRJYCJDR-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000440500253 206078991 /nfs/dbraw/zinc/07/89/91/206078991.db2.gz YYFFWPIFTWWYBN-VWYCJHECSA-N 1 2 219.300 1.470 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000440500253 206078994 /nfs/dbraw/zinc/07/89/94/206078994.db2.gz YYFFWPIFTWWYBN-VWYCJHECSA-N 1 2 219.300 1.470 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H](F)CC ZINC000440486082 206079131 /nfs/dbraw/zinc/07/91/31/206079131.db2.gz JCOPXYDIZZXLRP-CMPLNLGQSA-N 1 2 230.327 1.725 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@@H](F)CC ZINC000440486082 206079136 /nfs/dbraw/zinc/07/91/36/206079136.db2.gz JCOPXYDIZZXLRP-CMPLNLGQSA-N 1 2 230.327 1.725 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370390172 182327372 /nfs/dbraw/zinc/32/73/72/182327372.db2.gz MBTUJKYUWZSCNN-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2C[C@H]2C(C)C)[nH+]1 ZINC000450808686 206104689 /nfs/dbraw/zinc/10/46/89/206104689.db2.gz IUOVNBGWNJUORC-QWRGUYRKSA-N 1 2 249.362 1.372 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]2C(C)C)nc(N(C)C)[nH+]1 ZINC000450808686 206104693 /nfs/dbraw/zinc/10/46/93/206104693.db2.gz IUOVNBGWNJUORC-QWRGUYRKSA-N 1 2 249.362 1.372 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc[nH]c1 ZINC000336332425 182342605 /nfs/dbraw/zinc/34/26/05/182342605.db2.gz OUKWGQIBIVZQBF-VIFPVBQESA-N 1 2 230.271 1.025 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc[nH]c1 ZINC000336332425 182342608 /nfs/dbraw/zinc/34/26/08/182342608.db2.gz OUKWGQIBIVZQBF-VIFPVBQESA-N 1 2 230.271 1.025 20 0 BDADLO O=C(Nc1ccc(F)cc1F)[C@@H]1CSC[NH2+]1 ZINC000019504983 182356190 /nfs/dbraw/zinc/35/61/90/182356190.db2.gz KMUSBGXDRQWJKP-VIFPVBQESA-N 1 2 244.266 1.566 20 0 BDADLO O=C(Nc1cc(F)cc(F)c1)[C@H]1CSC[NH2+]1 ZINC000019509399 182350073 /nfs/dbraw/zinc/35/00/73/182350073.db2.gz JUXAAWYAEGFKFL-SECBINFHSA-N 1 2 244.266 1.566 20 0 BDADLO O=C(Nc1ccccc1Cl)[C@H]1CSC[NH2+]1 ZINC000019517956 182377995 /nfs/dbraw/zinc/37/79/95/182377995.db2.gz DTNTYTNVEHPBEK-SECBINFHSA-N 1 2 242.731 1.941 20 0 BDADLO O=C(c1ccsc1)N1CC[NH+](C2CC2)CC1 ZINC000299382105 182695215 /nfs/dbraw/zinc/69/52/15/182695215.db2.gz VJUXHJDRNRJTDL-UHFFFAOYSA-N 1 2 236.340 1.668 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCc2ccsc2C1 ZINC000132608174 182829503 /nfs/dbraw/zinc/82/95/03/182829503.db2.gz VCTDMSWCBNDAPJ-VIFPVBQESA-N 1 2 223.297 1.422 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCc2ccsc2C1 ZINC000132608174 182829505 /nfs/dbraw/zinc/82/95/05/182829505.db2.gz VCTDMSWCBNDAPJ-VIFPVBQESA-N 1 2 223.297 1.422 20 0 BDADLO OC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000291458700 183028821 /nfs/dbraw/zinc/02/88/21/183028821.db2.gz NDHZGJRZWYVQPF-UHFFFAOYSA-N 1 2 228.242 1.317 20 0 BDADLO OC1(C2CC2)CN(c2cc[nH+]c3ccncc32)C1 ZINC000377267097 183016106 /nfs/dbraw/zinc/01/61/06/183016106.db2.gz NTOZASWXUZMDFB-UHFFFAOYSA-N 1 2 241.294 1.591 20 0 BDADLO OCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000278705454 183052011 /nfs/dbraw/zinc/05/20/11/183052011.db2.gz IUIBNFHFEVJUEU-UHFFFAOYSA-N 1 2 207.277 1.538 20 0 BDADLO OCCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187029728 183057392 /nfs/dbraw/zinc/05/73/92/183057392.db2.gz IFYJRVKQSNRMCL-SECBINFHSA-N 1 2 244.385 1.615 20 0 BDADLO OCCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187029728 183057394 /nfs/dbraw/zinc/05/73/94/183057394.db2.gz IFYJRVKQSNRMCL-SECBINFHSA-N 1 2 244.385 1.615 20 0 BDADLO OCCCOc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000285595523 183061858 /nfs/dbraw/zinc/06/18/58/183061858.db2.gz WFXNRZQNKSLELQ-UHFFFAOYSA-N 1 2 247.298 1.783 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1CCC(F)(F)C1 ZINC000301012849 183064502 /nfs/dbraw/zinc/06/45/02/183064502.db2.gz XZWMNLYTNAJGQJ-MRVPVSSYSA-N 1 2 243.244 1.981 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1CCC(F)(F)C1 ZINC000301012849 183064507 /nfs/dbraw/zinc/06/45/07/183064507.db2.gz XZWMNLYTNAJGQJ-MRVPVSSYSA-N 1 2 243.244 1.981 20 0 BDADLO OCCOCCCNc1cc[nH+]c(C2CC2)n1 ZINC000180551066 183082613 /nfs/dbraw/zinc/08/26/13/183082613.db2.gz XHMULEOAOGKCIB-UHFFFAOYSA-N 1 2 237.303 1.165 20 0 BDADLO OCC[C@@H](Nc1cccc[nH+]1)C1CCOCC1 ZINC000359238917 183090960 /nfs/dbraw/zinc/09/09/60/183090960.db2.gz HXAQWVPBESRBQM-GFCCVEGCSA-N 1 2 236.315 1.671 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000290083769 183120473 /nfs/dbraw/zinc/12/04/73/183120473.db2.gz QUKIBUROYABIET-QMMMGPOBSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1csc(Cl)n1 ZINC000290083769 183120475 /nfs/dbraw/zinc/12/04/75/183120475.db2.gz QUKIBUROYABIET-QMMMGPOBSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@@H]([NH2+]CCF)c1c(F)cccc1F ZINC000336739314 183107029 /nfs/dbraw/zinc/10/70/29/183107029.db2.gz SKWWMWFEUBXKNJ-SECBINFHSA-N 1 2 219.206 1.557 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncccn1)c1cccc(F)c1 ZINC000361750019 183109471 /nfs/dbraw/zinc/10/94/71/183109471.db2.gz WFUGQAVFZKZMLX-GFCCVEGCSA-N 1 2 247.273 1.439 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000377700348 183133467 /nfs/dbraw/zinc/13/34/67/183133467.db2.gz NEUPJYKJTNYNCM-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000377700348 183133471 /nfs/dbraw/zinc/13/34/71/183133471.db2.gz NEUPJYKJTNYNCM-GFCCVEGCSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](CCC(F)(F)F)C1 ZINC000367881910 183133610 /nfs/dbraw/zinc/13/36/10/183133610.db2.gz WFHMLKNKHVMXTD-MRVPVSSYSA-N 1 2 229.217 1.735 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](CCC(F)(F)F)C1 ZINC000367881910 183133614 /nfs/dbraw/zinc/13/36/14/183133614.db2.gz WFHMLKNKHVMXTD-MRVPVSSYSA-N 1 2 229.217 1.735 20 0 BDADLO OC[C@H]([NH2+]Cc1cnns1)c1ccccc1 ZINC000290027076 183141510 /nfs/dbraw/zinc/14/15/10/183141510.db2.gz NCBWJBNUYQMUNO-NSHDSACASA-N 1 2 235.312 1.361 20 0 BDADLO CCCCc1nc(C[N@H+](CC)[C@H](C)CO)no1 ZINC000339629671 169025672 /nfs/dbraw/zinc/02/56/72/169025672.db2.gz UCKQHGSEAQWXMY-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](CC)[C@H](C)CO)no1 ZINC000339629671 169025674 /nfs/dbraw/zinc/02/56/74/169025674.db2.gz UCKQHGSEAQWXMY-SNVBAGLBSA-N 1 2 241.335 1.615 20 0 BDADLO OC[C@]1([NH2+]Cc2ccon2)CCc2ccccc21 ZINC000305728293 183159053 /nfs/dbraw/zinc/15/90/53/183159053.db2.gz MNDAAMNUZRPJNL-CQSZACIVSA-N 1 2 244.294 1.598 20 0 BDADLO CCCN(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000279155661 169041815 /nfs/dbraw/zinc/04/18/15/169041815.db2.gz HRQXOBKMTVGATE-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000066971067 183179094 /nfs/dbraw/zinc/17/90/94/183179094.db2.gz HKQBEWNYSVEWLQ-LBPRGKRZSA-N 1 2 235.262 1.372 20 0 BDADLO OCc1ccc(NCC[C@@H]2CCOC2)[nH+]c1 ZINC000309656373 183165930 /nfs/dbraw/zinc/16/59/30/183165930.db2.gz VYGXOZRKLCEYPY-SNVBAGLBSA-N 1 2 222.288 1.412 20 0 BDADLO O[C@@H](CCc1ccccc1)Cn1cc[nH+]c1 ZINC000028648013 183174786 /nfs/dbraw/zinc/17/47/86/183174786.db2.gz QSXQEVGUNYKBCO-ZDUSSCGKSA-N 1 2 216.284 1.877 20 0 BDADLO O[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000080788117 183199716 /nfs/dbraw/zinc/19/97/16/183199716.db2.gz IRVKEYXAUUVVRA-MRVPVSSYSA-N 1 2 232.205 1.671 20 0 BDADLO O[C@@H]1C[NH+](Cc2ccc(F)cc2Cl)C[C@H]1O ZINC000236529967 183206244 /nfs/dbraw/zinc/20/62/44/183206244.db2.gz ISKPAUPRZDUBJJ-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO CCCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357107947 169060311 /nfs/dbraw/zinc/06/03/11/169060311.db2.gz GMVMTXWRUARQPG-UHFFFAOYSA-N 1 2 244.298 1.749 20 0 BDADLO CCCN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000302869583 169087828 /nfs/dbraw/zinc/08/78/28/169087828.db2.gz ASFBEIVMTZNTBT-UHFFFAOYSA-N 1 2 220.320 1.923 20 0 BDADLO CCCN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000302869583 169087831 /nfs/dbraw/zinc/08/78/31/169087831.db2.gz ASFBEIVMTZNTBT-UHFFFAOYSA-N 1 2 220.320 1.923 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000374934395 183240140 /nfs/dbraw/zinc/24/01/40/183240140.db2.gz ZXGGEGUFOUQUFV-ZDUSSCGKSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000374934395 183240141 /nfs/dbraw/zinc/24/01/41/183240141.db2.gz ZXGGEGUFOUQUFV-ZDUSSCGKSA-N 1 2 243.310 1.849 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000278986161 183240439 /nfs/dbraw/zinc/24/04/39/183240439.db2.gz PVRFYDWKXNCJHY-QMMMGPOBSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000278986161 183240442 /nfs/dbraw/zinc/24/04/42/183240442.db2.gz PVRFYDWKXNCJHY-QMMMGPOBSA-N 1 2 247.125 1.955 20 0 BDADLO O[C@H]1CC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000276928374 183242324 /nfs/dbraw/zinc/24/23/24/183242324.db2.gz PNEXSKIRDDDGGG-ONGXEEELSA-N 1 2 233.315 1.927 20 0 BDADLO CCCN(CC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364439945 169116292 /nfs/dbraw/zinc/11/62/92/169116292.db2.gz NLKKPRHZYXBQCE-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000368569794 169117370 /nfs/dbraw/zinc/11/73/70/169117370.db2.gz ONTVOUFOLRYCGA-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCCN(CC(F)F)C(=O)Cc1[nH]c[nH+]c1C ZINC000278934052 169107615 /nfs/dbraw/zinc/10/76/15/169107615.db2.gz TYRIOITZMMRGAH-UHFFFAOYSA-N 1 2 245.273 1.764 20 0 BDADLO CCCN(CC)c1nc[nH+]c(N)c1Cl ZINC000233012469 169133620 /nfs/dbraw/zinc/13/36/20/169133620.db2.gz HOUXRVKBGOAMJK-UHFFFAOYSA-N 1 2 214.700 1.949 20 0 BDADLO CCCN(CC)c1[nH+]cnc(N)c1Cl ZINC000233012469 169133622 /nfs/dbraw/zinc/13/36/22/169133622.db2.gz HOUXRVKBGOAMJK-UHFFFAOYSA-N 1 2 214.700 1.949 20 0 BDADLO CCC[N@H+](CCC(=O)OC)CC(F)F ZINC000101731839 169140441 /nfs/dbraw/zinc/14/04/41/169140441.db2.gz UKUJQYMKSXUUHC-UHFFFAOYSA-N 1 2 209.236 1.527 20 0 BDADLO CCC[N@@H+](CCC(=O)OC)CC(F)F ZINC000101731839 169140442 /nfs/dbraw/zinc/14/04/42/169140442.db2.gz UKUJQYMKSXUUHC-UHFFFAOYSA-N 1 2 209.236 1.527 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@@H+]2CCC2CC2)[nH]1 ZINC000333701756 183306315 /nfs/dbraw/zinc/30/63/15/183306315.db2.gz OETFWAVBHTWRTQ-SNVBAGLBSA-N 1 2 236.319 1.837 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@H+]2CCC2CC2)[nH]1 ZINC000333701756 183306316 /nfs/dbraw/zinc/30/63/16/183306316.db2.gz OETFWAVBHTWRTQ-SNVBAGLBSA-N 1 2 236.319 1.837 20 0 BDADLO CCC[N@@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000330859827 169190927 /nfs/dbraw/zinc/19/09/27/169190927.db2.gz RLICUMXRIVECMD-JTQLQIEISA-N 1 2 238.335 1.888 20 0 BDADLO CCC[N@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000330859827 169190929 /nfs/dbraw/zinc/19/09/29/169190929.db2.gz RLICUMXRIVECMD-JTQLQIEISA-N 1 2 238.335 1.888 20 0 BDADLO CCC[N@@H+]1CCCC[C@H]1c1nnc(COC)[nH]1 ZINC000330859827 169190930 /nfs/dbraw/zinc/19/09/30/169190930.db2.gz RLICUMXRIVECMD-JTQLQIEISA-N 1 2 238.335 1.888 20 0 BDADLO CCC[N@H+]1CCCC[C@H]1c1nnc(COC)[nH]1 ZINC000330859827 169190933 /nfs/dbraw/zinc/19/09/33/169190933.db2.gz RLICUMXRIVECMD-JTQLQIEISA-N 1 2 238.335 1.888 20 0 BDADLO c1c[nH+]c(CN2CCCc3occc3C2)[nH]1 ZINC000288727584 183324701 /nfs/dbraw/zinc/32/47/01/183324701.db2.gz GHYHYWKYDZTBOO-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCCc3occc3C2)n1 ZINC000288727584 183324703 /nfs/dbraw/zinc/32/47/03/183324703.db2.gz GHYHYWKYDZTBOO-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO c1c[nH]c(C[N@H+]2CCCc3occc3C2)n1 ZINC000288727584 183324704 /nfs/dbraw/zinc/32/47/04/183324704.db2.gz GHYHYWKYDZTBOO-UHFFFAOYSA-N 1 2 217.272 1.951 20 0 BDADLO CCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000158207206 169204171 /nfs/dbraw/zinc/20/41/71/169204171.db2.gz KJRHPEXRZWKCRC-NSHDSACASA-N 1 2 237.299 1.963 20 0 BDADLO CCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000158207206 169204172 /nfs/dbraw/zinc/20/41/72/169204172.db2.gz KJRHPEXRZWKCRC-NSHDSACASA-N 1 2 237.299 1.963 20 0 BDADLO S=C(SCCn1cc[nH+]c1)N1CCCC1 ZINC000121855954 183312489 /nfs/dbraw/zinc/31/24/89/183312489.db2.gz UZDNESUXSUAKFQ-UHFFFAOYSA-N 1 2 241.385 1.997 20 0 BDADLO CCCN(Cc1c[nH+]cn1C)CC(F)F ZINC000177272162 169179274 /nfs/dbraw/zinc/17/92/74/169179274.db2.gz GXVOYPGFXBPMTA-UHFFFAOYSA-N 1 2 217.263 1.897 20 0 BDADLO c1cc(C[N@@H+]2CCCC3(C2)OCCO3)on1 ZINC000134092238 183339664 /nfs/dbraw/zinc/33/96/64/183339664.db2.gz XRUPIHYSTGWCJY-UHFFFAOYSA-N 1 2 224.260 1.014 20 0 BDADLO c1cc(C[N@H+]2CCCC3(C2)OCCO3)on1 ZINC000134092238 183339666 /nfs/dbraw/zinc/33/96/66/183339666.db2.gz XRUPIHYSTGWCJY-UHFFFAOYSA-N 1 2 224.260 1.014 20 0 BDADLO c1cc(C[N@@H+]2CCOCC3(CCC3)C2)no1 ZINC000336475030 183343946 /nfs/dbraw/zinc/34/39/46/183343946.db2.gz JFPPRXIUQHOFRH-UHFFFAOYSA-N 1 2 222.288 1.677 20 0 BDADLO c1cc(C[N@H+]2CCOCC3(CCC3)C2)no1 ZINC000336475030 183343947 /nfs/dbraw/zinc/34/39/47/183343947.db2.gz JFPPRXIUQHOFRH-UHFFFAOYSA-N 1 2 222.288 1.677 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccn1 ZINC000367572614 183344697 /nfs/dbraw/zinc/34/46/97/183344697.db2.gz FMWVGFJGYLRKML-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccn1 ZINC000367572614 183344699 /nfs/dbraw/zinc/34/46/99/183344699.db2.gz FMWVGFJGYLRKML-KGLIPLIRSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCCC3)no1 ZINC000270641019 183344927 /nfs/dbraw/zinc/34/49/27/183344927.db2.gz NCGWNYRWIZPWEJ-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCCC3)no1 ZINC000270641019 183344928 /nfs/dbraw/zinc/34/49/28/183344928.db2.gz NCGWNYRWIZPWEJ-UHFFFAOYSA-N 1 2 222.288 1.820 20 0 BDADLO c1cc(CN2CCn3c[nH+]cc3C2)cs1 ZINC000291549061 183347471 /nfs/dbraw/zinc/34/74/71/183347471.db2.gz MAENNJORONTZSV-UHFFFAOYSA-N 1 2 219.313 1.960 20 0 BDADLO c1cc(N[C@@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000301771052 183357997 /nfs/dbraw/zinc/35/79/97/183357997.db2.gz KUOVKHXZVFDQBN-SECBINFHSA-N 1 2 205.261 1.555 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1conc1CC ZINC000293405443 169219132 /nfs/dbraw/zinc/21/91/32/169219132.db2.gz LXNPPAHVTPECJP-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1conc1CC ZINC000293405443 169219135 /nfs/dbraw/zinc/21/91/35/169219135.db2.gz LXNPPAHVTPECJP-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO c1cn(-c2cccc(NC[C@H]3CCCO3)n2)c[nH+]1 ZINC000363815795 183334793 /nfs/dbraw/zinc/33/47/93/183334793.db2.gz GMJBALSPUZKCOJ-LLVKDONJSA-N 1 2 244.298 1.280 20 0 BDADLO c1cc2[nH+]ccc(NC[C@@H]3[C@H]4COC[C@H]43)c2cn1 ZINC000367734233 183363538 /nfs/dbraw/zinc/36/35/38/183363538.db2.gz NBJGVHHYRZNIKT-WLLOZRIZSA-N 1 2 241.294 1.356 20 0 BDADLO c1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[C@@H]31)OCCO2 ZINC000368331144 183367717 /nfs/dbraw/zinc/36/77/17/183367717.db2.gz MYECZMKBMWCQGN-WCQYABFASA-N 1 2 247.294 1.431 20 0 BDADLO c1cc2c(cc1C[N@H+]1CCO[C@@H]3C[C@@H]31)OCCO2 ZINC000368331144 183367720 /nfs/dbraw/zinc/36/77/20/183367720.db2.gz MYECZMKBMWCQGN-WCQYABFASA-N 1 2 247.294 1.431 20 0 BDADLO c1cn(-c2nnc(-c3ccccn3)s2)c[nH+]1 ZINC000360892630 183383492 /nfs/dbraw/zinc/38/34/92/183383492.db2.gz RVIYPELUCQVVSR-UHFFFAOYSA-N 1 2 229.268 1.786 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)on1 ZINC000286280879 183361343 /nfs/dbraw/zinc/36/13/43/183361343.db2.gz UMMOWDXRUSDAGU-NSHDSACASA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)on1 ZINC000286280879 183361344 /nfs/dbraw/zinc/36/13/44/183361344.db2.gz UMMOWDXRUSDAGU-NSHDSACASA-N 1 2 218.260 1.735 20 0 BDADLO c1cc([C@H]2CCCC[N@H+]2CC2OCCO2)n[nH]1 ZINC000285500387 183362930 /nfs/dbraw/zinc/36/29/30/183362930.db2.gz XOHHGJWXYVFVPJ-LLVKDONJSA-N 1 2 237.303 1.310 20 0 BDADLO c1cc([C@H]2CCCC[N@@H+]2CC2OCCO2)n[nH]1 ZINC000285500387 183362932 /nfs/dbraw/zinc/36/29/32/183362932.db2.gz XOHHGJWXYVFVPJ-LLVKDONJSA-N 1 2 237.303 1.310 20 0 BDADLO CCC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000037459239 169289798 /nfs/dbraw/zinc/28/97/98/169289798.db2.gz PWBUOIRVNBNDEH-GFCCVEGCSA-N 1 2 221.300 1.770 20 0 BDADLO c1ccc(CC[N@@H+]2CCOC[C@]23CCOC3)nc1 ZINC000193729394 183392810 /nfs/dbraw/zinc/39/28/10/183392810.db2.gz QSCMLQQUEIMEPW-CQSZACIVSA-N 1 2 248.326 1.115 20 0 BDADLO c1ccc(CC[N@H+]2CCOC[C@]23CCOC3)nc1 ZINC000193729394 183392813 /nfs/dbraw/zinc/39/28/13/183392813.db2.gz QSCMLQQUEIMEPW-CQSZACIVSA-N 1 2 248.326 1.115 20 0 BDADLO CCC[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264023856 169351386 /nfs/dbraw/zinc/35/13/86/169351386.db2.gz KFVBKAWHAXEWCR-SECBINFHSA-N 1 2 209.293 1.473 20 0 BDADLO CCC[C@H]([NH2+]C1CC(OCC)C1)C(=O)OC ZINC000336731073 169510248 /nfs/dbraw/zinc/51/02/48/169510248.db2.gz ISMPUDMFZRSWOE-ILDUYXDCSA-N 1 2 229.320 1.485 20 0 BDADLO CCOC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000194213998 259616876 /nfs/dbraw/zinc/61/68/76/259616876.db2.gz JNPAVRWWSAOGML-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000194213998 259616878 /nfs/dbraw/zinc/61/68/78/259616878.db2.gz JNPAVRWWSAOGML-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000330658827 166681093 /nfs/dbraw/zinc/68/10/93/166681093.db2.gz SQJSVGGXBMJIEA-SECBINFHSA-N 1 2 246.376 1.754 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000330658827 166681095 /nfs/dbraw/zinc/68/10/95/166681095.db2.gz SQJSVGGXBMJIEA-SECBINFHSA-N 1 2 246.376 1.754 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000183749613 134354097 /nfs/dbraw/zinc/35/40/97/134354097.db2.gz BVFWPCCLCVNXCU-VHSXEESVSA-N 1 2 223.320 1.751 20 0 BDADLO CCC[C@@](C)([NH2+]CCn1cccn1)C(=O)OC ZINC000111247450 383843519 /nfs/dbraw/zinc/84/35/19/383843519.db2.gz BXPAUUHUKZTACW-GFCCVEGCSA-N 1 2 239.319 1.205 20 0 BDADLO Cn1cc[nH+]c1CN1CCN(C)c2ccccc21 ZINC000111302977 383851367 /nfs/dbraw/zinc/85/13/67/383851367.db2.gz HCGAYFIGEHKYTC-UHFFFAOYSA-N 1 2 242.326 1.877 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(N)=O ZINC000035793625 383875734 /nfs/dbraw/zinc/87/57/34/383875734.db2.gz VCQKBAZSEDUCEJ-BQBZGAKWSA-N 1 2 228.242 1.489 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccccn1 ZINC000112337756 383916823 /nfs/dbraw/zinc/91/68/23/383916823.db2.gz LUOVKXRKGPGSDW-JTQLQIEISA-N 1 2 216.288 1.666 20 0 BDADLO Cc1ccc(C)c(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088357721 383896950 /nfs/dbraw/zinc/89/69/50/383896950.db2.gz WKGDEEHGYWQPMI-LBPRGKRZSA-N 1 2 234.299 1.230 20 0 BDADLO COC(C)(C)C[N@H+](C)[C@@H](C)c1csnn1 ZINC000560220348 383980160 /nfs/dbraw/zinc/98/01/60/383980160.db2.gz BDOHQOJZUYTWRI-QMMMGPOBSA-N 1 2 229.349 1.956 20 0 BDADLO COC(C)(C)C[N@@H+](C)[C@@H](C)c1csnn1 ZINC000560220348 383980164 /nfs/dbraw/zinc/98/01/64/383980164.db2.gz BDOHQOJZUYTWRI-QMMMGPOBSA-N 1 2 229.349 1.956 20 0 BDADLO CO[C@H](C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068570547 383998491 /nfs/dbraw/zinc/99/84/91/383998491.db2.gz KRUOQJFMZTUNJL-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO FC1(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000560152740 383937276 /nfs/dbraw/zinc/93/72/76/383937276.db2.gz NDRBYXFCIFYBIV-UHFFFAOYSA-N 1 2 210.256 1.274 20 0 BDADLO CC(C)[C@H](C)CC(=O)NCCn1cc[nH+]c1 ZINC000067793263 383948053 /nfs/dbraw/zinc/94/80/53/383948053.db2.gz FTKAPUMQLXJCCT-LLVKDONJSA-N 1 2 223.320 1.682 20 0 BDADLO O=C(CC1CCCC1)NCc1[nH]cc[nH+]1 ZINC000070651493 383952303 /nfs/dbraw/zinc/95/23/03/383952303.db2.gz WGFSTMUBNFYDFY-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO C[C@@H]([NH2+]CC(=O)N(C)C)c1c(F)cccc1F ZINC000037225417 383962975 /nfs/dbraw/zinc/96/29/75/383962975.db2.gz ABFZKDAMHZEHFT-MRVPVSSYSA-N 1 2 242.269 1.704 20 0 BDADLO c1coc(-c2nnc(C[N@@H+]3CCCOCC3)o2)c1 ZINC000363436373 384021848 /nfs/dbraw/zinc/02/18/48/384021848.db2.gz JJEYXYVXIGNQEQ-UHFFFAOYSA-N 1 2 249.270 1.552 20 0 BDADLO c1coc(-c2nnc(C[N@H+]3CCCOCC3)o2)c1 ZINC000363436373 384021854 /nfs/dbraw/zinc/02/18/54/384021854.db2.gz JJEYXYVXIGNQEQ-UHFFFAOYSA-N 1 2 249.270 1.552 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cncnc2OC)o1 ZINC000647215982 384009477 /nfs/dbraw/zinc/00/94/77/384009477.db2.gz PNQMQRMNSSDCAA-UHFFFAOYSA-N 1 2 248.286 1.325 20 0 BDADLO C[C@H]([NH2+]Cc1nncn1C)c1cccc(F)c1 ZINC000038007613 384053410 /nfs/dbraw/zinc/05/34/10/384053410.db2.gz RRQDFIATRVVDDH-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnn(C)n1)CC2 ZINC000330271445 384029644 /nfs/dbraw/zinc/02/96/44/384029644.db2.gz VYGKGIAECVZEIZ-GFCCVEGCSA-N 1 2 243.314 1.296 20 0 BDADLO CC[N@H+](CCO)Cc1nccn1C(F)F ZINC000049832214 384053823 /nfs/dbraw/zinc/05/38/23/384053823.db2.gz QMMANCBPJGCRSJ-UHFFFAOYSA-N 1 2 219.235 1.092 20 0 BDADLO CC[N@@H+](CCO)Cc1nccn1C(F)F ZINC000049832214 384053828 /nfs/dbraw/zinc/05/38/28/384053828.db2.gz QMMANCBPJGCRSJ-UHFFFAOYSA-N 1 2 219.235 1.092 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)nc1 ZINC000070082842 384077447 /nfs/dbraw/zinc/07/74/47/384077447.db2.gz MWTKUOMJLOXKCU-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(F)nc1 ZINC000070083507 384078584 /nfs/dbraw/zinc/07/85/84/384078584.db2.gz GNAPJVPBDXDSOC-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000050048294 384101333 /nfs/dbraw/zinc/10/13/33/384101333.db2.gz MUNSMICKFYZUIO-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000050048294 384101337 /nfs/dbraw/zinc/10/13/37/384101337.db2.gz MUNSMICKFYZUIO-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO CC[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000293901993 384109552 /nfs/dbraw/zinc/10/95/52/384109552.db2.gz FVJCSWPCTSIMQI-JTQLQIEISA-N 1 2 207.277 1.353 20 0 BDADLO CC[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000293901993 384109557 /nfs/dbraw/zinc/10/95/57/384109557.db2.gz FVJCSWPCTSIMQI-JTQLQIEISA-N 1 2 207.277 1.353 20 0 BDADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1nccs1 ZINC000070733180 384133880 /nfs/dbraw/zinc/13/38/80/384133880.db2.gz JFXOIMQJWMWSPF-QMMMGPOBSA-N 1 2 239.344 1.320 20 0 BDADLO CC1(C)CC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000573134701 384134136 /nfs/dbraw/zinc/13/41/36/384134136.db2.gz QSKUTUVJNVUBBZ-SNVBAGLBSA-N 1 2 246.314 1.301 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CCOC[C@H]2C)c[nH]1 ZINC000091810614 384147511 /nfs/dbraw/zinc/14/75/11/384147511.db2.gz HBINGVAKWHQLSM-SECBINFHSA-N 1 2 238.287 1.022 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CCOC[C@H]2C)c[nH]1 ZINC000091810614 384147515 /nfs/dbraw/zinc/14/75/15/384147515.db2.gz HBINGVAKWHQLSM-SECBINFHSA-N 1 2 238.287 1.022 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000628117749 384175386 /nfs/dbraw/zinc/17/53/86/384175386.db2.gz TYSJMIYNTLGJBK-UWVGGRQHSA-N 1 2 209.293 1.327 20 0 BDADLO c1ccc(NCc2nnc(C3CC3)o2)[nH+]c1 ZINC000278732070 384169164 /nfs/dbraw/zinc/16/91/64/384169164.db2.gz KZRMOCCGXMZGRM-UHFFFAOYSA-N 1 2 216.244 1.954 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@@H]1C1CC1 ZINC000530958537 384178097 /nfs/dbraw/zinc/17/80/97/384178097.db2.gz VKWZFZXXQBHTGE-OLZOCXBDSA-N 1 2 247.342 1.826 20 0 BDADLO Cc1occc1C[N@@H+](C)Cc1cnnn1C ZINC000092438437 384179033 /nfs/dbraw/zinc/17/90/33/384179033.db2.gz VIMZNMSPJHPLBE-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1occc1C[N@H+](C)Cc1cnnn1C ZINC000092438437 384179037 /nfs/dbraw/zinc/17/90/37/384179037.db2.gz VIMZNMSPJHPLBE-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cn1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cn1 ZINC000236084601 384181823 /nfs/dbraw/zinc/18/18/23/384181823.db2.gz KCZYVFFWEODSIV-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1occc1C ZINC000093050500 384208323 /nfs/dbraw/zinc/20/83/23/384208323.db2.gz YASLETOJDMNXLM-JTQLQIEISA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1occc1C ZINC000093050500 384208325 /nfs/dbraw/zinc/20/83/25/384208325.db2.gz YASLETOJDMNXLM-JTQLQIEISA-N 1 2 222.288 1.298 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](CCOCC1CCC1)C2 ZINC000642698664 384190732 /nfs/dbraw/zinc/19/07/32/384190732.db2.gz ANZPKDBWJTWAKV-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO c1n[nH]c2c1CC[N@H+](CCOCC1CCC1)C2 ZINC000642698664 384190738 /nfs/dbraw/zinc/19/07/38/384190738.db2.gz ANZPKDBWJTWAKV-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](CCOCC1CCC1)C2 ZINC000642698664 384190740 /nfs/dbraw/zinc/19/07/40/384190740.db2.gz ANZPKDBWJTWAKV-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO c1[nH]nc2c1CC[N@H+](CCOCC1CCC1)C2 ZINC000642698664 384190741 /nfs/dbraw/zinc/19/07/41/384190741.db2.gz ANZPKDBWJTWAKV-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO Cn1nccc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000092729635 384191262 /nfs/dbraw/zinc/19/12/62/384191262.db2.gz HZSHYFBZXBQCRX-GFCCVEGCSA-N 1 2 245.330 1.870 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCOCC(C)C)C1CC1 ZINC000558607540 384193340 /nfs/dbraw/zinc/19/33/40/384193340.db2.gz AKLIXORBVQBREH-CYBMUJFWSA-N 1 2 243.347 1.590 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)Cc1ccsc1 ZINC000118391299 384198860 /nfs/dbraw/zinc/19/88/60/384198860.db2.gz GUDDDGWGMCPLQO-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccsc1 ZINC000118391299 384198863 /nfs/dbraw/zinc/19/88/63/384198863.db2.gz GUDDDGWGMCPLQO-UHFFFAOYSA-N 1 2 247.385 1.615 20 0 BDADLO COCCn1cc(Nc2cc(C)[nH+]c(C)n2)cn1 ZINC000042338546 384215446 /nfs/dbraw/zinc/21/54/46/384215446.db2.gz JVIMMQQOCNADOV-UHFFFAOYSA-N 1 2 247.302 1.680 20 0 BDADLO CCCN(CC(N)=O)c1cc(C)[nH+]c(C2CC2)n1 ZINC000644155125 384219168 /nfs/dbraw/zinc/21/91/68/384219168.db2.gz OSHXAUPAGVUHLG-UHFFFAOYSA-N 1 2 248.330 1.364 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCCC1CC1 ZINC000292613090 384220572 /nfs/dbraw/zinc/22/05/72/384220572.db2.gz IDHIAIJWODLDSN-UHFFFAOYSA-N 1 2 249.314 1.690 20 0 BDADLO CO[C@@](C)(C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000558671832 384240576 /nfs/dbraw/zinc/24/05/76/384240576.db2.gz YQZWRSALSRXKNP-CQSZACIVSA-N 1 2 248.326 1.874 20 0 BDADLO FC(F)CN(Cc1c[nH+]c[nH]1)C1CC1 ZINC000093276555 384225949 /nfs/dbraw/zinc/22/59/49/384225949.db2.gz BCDBDJMFMVNMJT-UHFFFAOYSA-N 1 2 201.220 1.639 20 0 BDADLO FC(F)CN(Cc1c[nH]c[nH+]1)C1CC1 ZINC000093276555 384225960 /nfs/dbraw/zinc/22/59/60/384225960.db2.gz BCDBDJMFMVNMJT-UHFFFAOYSA-N 1 2 201.220 1.639 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cn1 ZINC000042535289 384227496 /nfs/dbraw/zinc/22/74/96/384227496.db2.gz FFCYSTAWVYFCEV-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO CCCC[N@H+](CCOC)Cc1cn[nH]c1C ZINC000093323106 384228300 /nfs/dbraw/zinc/22/83/00/384228300.db2.gz QZFRCGAAHFGJRV-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1cn[nH]c1C ZINC000093323106 384228308 /nfs/dbraw/zinc/22/83/08/384228308.db2.gz QZFRCGAAHFGJRV-UHFFFAOYSA-N 1 2 225.336 1.967 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C1CC1 ZINC000558691844 384247192 /nfs/dbraw/zinc/24/71/92/384247192.db2.gz UHBALIYTSMRFIA-VIFPVBQESA-N 1 2 221.304 1.518 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000428223160 384250490 /nfs/dbraw/zinc/25/04/90/384250490.db2.gz VHRUHZBMCWOERJ-LBPRGKRZSA-N 1 2 219.284 1.476 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000428223160 384250493 /nfs/dbraw/zinc/25/04/93/384250493.db2.gz VHRUHZBMCWOERJ-LBPRGKRZSA-N 1 2 219.284 1.476 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000093645299 384254670 /nfs/dbraw/zinc/25/46/70/384254670.db2.gz MFYCBGZKZVIHAG-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000093645299 384254675 /nfs/dbraw/zinc/25/46/75/384254675.db2.gz MFYCBGZKZVIHAG-LLVKDONJSA-N 1 2 224.329 1.754 20 0 BDADLO Cc1cc(F)ccc1C(=O)NCc1[nH+]ccn1C ZINC000135347754 384271754 /nfs/dbraw/zinc/27/17/54/384271754.db2.gz NTSWUPGHEQNOGU-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO Cc1nc(N(C)[C@@H](C)C(C)(C)C)nc(N)[nH+]1 ZINC000304404772 384279134 /nfs/dbraw/zinc/27/91/34/384279134.db2.gz BIRQISUEMQZNHD-ZETCQYMHSA-N 1 2 223.324 1.633 20 0 BDADLO Cc1nc(N)nc(N(C)[C@@H](C)C(C)(C)C)[nH+]1 ZINC000304404772 384279141 /nfs/dbraw/zinc/27/91/41/384279141.db2.gz BIRQISUEMQZNHD-ZETCQYMHSA-N 1 2 223.324 1.633 20 0 BDADLO c1[nH+]c(SCC2OCCO2)n2ccccc12 ZINC000133353232 384284482 /nfs/dbraw/zinc/28/44/82/384284482.db2.gz NKQSKTPCIVOGBC-UHFFFAOYSA-N 1 2 236.296 1.799 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2cccc(F)c2C1 ZINC000074449955 384286925 /nfs/dbraw/zinc/28/69/25/384286925.db2.gz WGDMUBCEHBRMFW-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2cccc(F)c2C1 ZINC000074449955 384286931 /nfs/dbraw/zinc/28/69/31/384286931.db2.gz WGDMUBCEHBRMFW-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCc2c(F)cccc2C1 ZINC000074448107 384288593 /nfs/dbraw/zinc/28/85/93/384288593.db2.gz PJBGPWOOPVLKDC-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCc2c(F)cccc2C1 ZINC000074448107 384288599 /nfs/dbraw/zinc/28/85/99/384288599.db2.gz PJBGPWOOPVLKDC-QMMMGPOBSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@@H]1C[N@H+](CCNc2ncccc2F)CCO1 ZINC000530992751 384302918 /nfs/dbraw/zinc/30/29/18/384302918.db2.gz DUKMQQIMLVLMTD-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@@H]1C[N@@H+](CCNc2ncccc2F)CCO1 ZINC000530992751 384302924 /nfs/dbraw/zinc/30/29/24/384302924.db2.gz DUKMQQIMLVLMTD-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO CN(C)c1ccc(CNc2nncs2)c[nH+]1 ZINC000134423733 384354655 /nfs/dbraw/zinc/35/46/55/384354655.db2.gz BBRNULPNSXGREX-UHFFFAOYSA-N 1 2 235.316 1.611 20 0 BDADLO O=C(C[N@H+]1CCc2ccc(F)cc2C1)NC1CC1 ZINC000133951078 384323608 /nfs/dbraw/zinc/32/36/08/384323608.db2.gz XOMPDTWAQORFET-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO O=C(C[N@@H+]1CCc2ccc(F)cc2C1)NC1CC1 ZINC000133951078 384323612 /nfs/dbraw/zinc/32/36/12/384323612.db2.gz XOMPDTWAQORFET-UHFFFAOYSA-N 1 2 248.301 1.462 20 0 BDADLO Cc1occc1C[NH2+]Cc1ccn(C)n1 ZINC000308830472 384330683 /nfs/dbraw/zinc/33/06/83/384330683.db2.gz AHMPXIBHKCYHRW-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO C[C@@]1(C(=O)Nc2ccn3cc[nH+]c3c2)CCOC1 ZINC000333802166 384331454 /nfs/dbraw/zinc/33/14/54/384331454.db2.gz DLVCLRURLDPFCG-CYBMUJFWSA-N 1 2 245.282 1.699 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000335603030 384373226 /nfs/dbraw/zinc/37/32/26/384373226.db2.gz GIIFJBVNFWKWNG-WPRPVWTQSA-N 1 2 203.289 1.986 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120170883 384334738 /nfs/dbraw/zinc/33/47/38/384334738.db2.gz AAHYGCIYUUNODL-JTQLQIEISA-N 1 2 243.738 1.374 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120170883 384334749 /nfs/dbraw/zinc/33/47/49/384334749.db2.gz AAHYGCIYUUNODL-JTQLQIEISA-N 1 2 243.738 1.374 20 0 BDADLO Cc1ccoc1C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000135143650 384415753 /nfs/dbraw/zinc/41/57/53/384415753.db2.gz BRDOIBIFTPGGIB-JTQLQIEISA-N 1 2 246.314 1.977 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C1CC1 ZINC000308904551 384425889 /nfs/dbraw/zinc/42/58/89/384425889.db2.gz CDYXTTZWTVURFY-FXBDTBDDSA-N 1 2 229.345 1.279 20 0 BDADLO CC[NH+](CC)Cc1nc([C@H](C)OC)no1 ZINC000175066761 384391266 /nfs/dbraw/zinc/39/12/66/384391266.db2.gz MXBCUSKPNFEEPS-QMMMGPOBSA-N 1 2 213.281 1.619 20 0 BDADLO Cc1nc(CNC(=O)Nc2cc[nH+]cc2C)no1 ZINC000121693977 384432024 /nfs/dbraw/zinc/43/20/24/384432024.db2.gz QVKREVBVEOCAGP-UHFFFAOYSA-N 1 2 247.258 1.403 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[C@@H]1F ZINC000335653210 384439999 /nfs/dbraw/zinc/43/99/99/384439999.db2.gz XUNDJZXTBPEQPP-OIBJUYFYSA-N 1 2 211.240 1.116 20 0 BDADLO CC[C@H](SC)C(=O)NCc1[nH]cc[nH+]1 ZINC000122414573 384482302 /nfs/dbraw/zinc/48/23/02/384482302.db2.gz ZXLLBBNRGAISHJ-ZETCQYMHSA-N 1 2 213.306 1.168 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CO[C@H](C)C1 ZINC000402121482 384497581 /nfs/dbraw/zinc/49/75/81/384497581.db2.gz DVUDDLSJPBFWTL-BDAKNGLRSA-N 1 2 208.261 1.680 20 0 BDADLO CC[C@H](COC)Nc1[nH+]cnc2c1cnn2C ZINC000079745239 384511684 /nfs/dbraw/zinc/51/16/84/384511684.db2.gz PUCJZNHBJVTPRZ-MRVPVSSYSA-N 1 2 235.291 1.200 20 0 BDADLO CC(C)CONC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000136710882 384503046 /nfs/dbraw/zinc/50/30/46/384503046.db2.gz HZJNNDBOEODUSH-SNVBAGLBSA-N 1 2 240.307 1.158 20 0 BDADLO O=C(C1CC(=O)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000136747816 384507924 /nfs/dbraw/zinc/50/79/24/384507924.db2.gz AKEMJEYXFQYYDH-LLVKDONJSA-N 1 2 247.298 1.442 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cocn2)cn1 ZINC000309213716 384535193 /nfs/dbraw/zinc/53/51/93/384535193.db2.gz UAKGEZBGIRFUTK-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)CSC)c1[nH]cc[nH+]1 ZINC000300774718 384532975 /nfs/dbraw/zinc/53/29/75/384532975.db2.gz KRQXMPFOGZVDAZ-DTWKUNHWSA-N 1 2 241.360 1.976 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCSC)[C@@H](C)CC ZINC000183571859 384539973 /nfs/dbraw/zinc/53/99/73/384539973.db2.gz AZVKJQLWDYVBHQ-VHSXEESVSA-N 1 2 233.377 1.917 20 0 BDADLO O=C1NCC[N@@H+](CCCF)[C@@H]1c1ccccc1 ZINC000137560964 384540025 /nfs/dbraw/zinc/54/00/25/384540025.db2.gz TULRCAFMYQNAHO-GFCCVEGCSA-N 1 2 236.290 1.519 20 0 BDADLO O=C1NCC[N@H+](CCCF)[C@@H]1c1ccccc1 ZINC000137560964 384540030 /nfs/dbraw/zinc/54/00/30/384540030.db2.gz TULRCAFMYQNAHO-GFCCVEGCSA-N 1 2 236.290 1.519 20 0 BDADLO Cc1nc(N(C)C2CCC(C)CC2)nc(N)[nH+]1 ZINC000306117977 384572297 /nfs/dbraw/zinc/57/22/97/384572297.db2.gz XDNBHMXINXWLTF-UHFFFAOYSA-N 1 2 235.335 1.777 20 0 BDADLO Cc1nc(N)nc(N(C)C2CCC(C)CC2)[nH+]1 ZINC000306117977 384572301 /nfs/dbraw/zinc/57/23/01/384572301.db2.gz XDNBHMXINXWLTF-UHFFFAOYSA-N 1 2 235.335 1.777 20 0 BDADLO C=CC(=O)NCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000162113496 384572960 /nfs/dbraw/zinc/57/29/60/384572960.db2.gz FOKBEKOFVHBCCE-UHFFFAOYSA-N 1 2 233.271 1.021 20 0 BDADLO Cc1cnc(CN(C)Cc2[nH+]ccn2C)o1 ZINC000162325560 384603159 /nfs/dbraw/zinc/60/31/59/384603159.db2.gz IUCOLOAEVVNJHQ-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C(F)(F)F ZINC000569622374 384622648 /nfs/dbraw/zinc/62/26/48/384622648.db2.gz CMDMGQFLQXMYKP-RNFRBKRXSA-N 1 2 249.236 1.655 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C(F)(F)F ZINC000569622374 384622653 /nfs/dbraw/zinc/62/26/53/384622653.db2.gz CMDMGQFLQXMYKP-RNFRBKRXSA-N 1 2 249.236 1.655 20 0 BDADLO CC(C)(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523680335 259655021 /nfs/dbraw/zinc/65/50/21/259655021.db2.gz BGPUIJKBPOYXMW-UHFFFAOYSA-N 1 2 207.277 1.313 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cnc(C)s2)CCO1 ZINC000172880596 384631043 /nfs/dbraw/zinc/63/10/43/384631043.db2.gz VMDQZKODQZJHFM-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cnc(C)s2)CCO1 ZINC000172880596 384631049 /nfs/dbraw/zinc/63/10/49/384631049.db2.gz VMDQZKODQZJHFM-JTQLQIEISA-N 1 2 242.344 1.299 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000103148043 384597038 /nfs/dbraw/zinc/59/70/38/384597038.db2.gz IHAOBFOOEKLYES-ZDUSSCGKSA-N 1 2 249.310 1.369 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000103148043 384597042 /nfs/dbraw/zinc/59/70/42/384597042.db2.gz IHAOBFOOEKLYES-ZDUSSCGKSA-N 1 2 249.310 1.369 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000103148381 384598765 /nfs/dbraw/zinc/59/87/65/384598765.db2.gz FIBNHOFZPCFDJY-CYBMUJFWSA-N 1 2 249.310 1.369 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000103148381 384598769 /nfs/dbraw/zinc/59/87/69/384598769.db2.gz FIBNHOFZPCFDJY-CYBMUJFWSA-N 1 2 249.310 1.369 20 0 BDADLO FCC[NH+]1CCN(c2ccccc2)CC1 ZINC000098178244 384599814 /nfs/dbraw/zinc/59/98/14/384599814.db2.gz NXYFOPRIIMRQAU-UHFFFAOYSA-N 1 2 208.280 1.778 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000172888759 384635934 /nfs/dbraw/zinc/63/59/34/384635934.db2.gz ZOFJJYKAOUWMMP-GFCCVEGCSA-N 1 2 239.290 1.673 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000172888759 384635940 /nfs/dbraw/zinc/63/59/40/384635940.db2.gz ZOFJJYKAOUWMMP-GFCCVEGCSA-N 1 2 239.290 1.673 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000048484838 384675031 /nfs/dbraw/zinc/67/50/31/384675031.db2.gz AXPKEQQMZJMDBL-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000048484838 384675038 /nfs/dbraw/zinc/67/50/38/384675038.db2.gz AXPKEQQMZJMDBL-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1nccs1 ZINC000086443302 384651217 /nfs/dbraw/zinc/65/12/17/384651217.db2.gz GUDVIEPXWNNYKV-UHFFFAOYSA-N 1 2 214.290 1.138 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1nccs1 ZINC000086443302 384651220 /nfs/dbraw/zinc/65/12/20/384651220.db2.gz GUDVIEPXWNNYKV-UHFFFAOYSA-N 1 2 214.290 1.138 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ncccc2O)s1 ZINC000309837470 384659138 /nfs/dbraw/zinc/65/91/38/384659138.db2.gz BQMGNGZTZUSDNN-UHFFFAOYSA-N 1 2 235.312 1.842 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)oc1C ZINC000185101013 384682094 /nfs/dbraw/zinc/68/20/94/384682094.db2.gz KDQMIDQXXQQNHB-PWJLMRLQSA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@](C)=O)oc1C ZINC000185101013 384682102 /nfs/dbraw/zinc/68/21/02/384682102.db2.gz KDQMIDQXXQQNHB-PWJLMRLQSA-N 1 2 244.360 1.490 20 0 BDADLO CCC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000176537379 384683742 /nfs/dbraw/zinc/68/37/42/384683742.db2.gz LYXXVJMIKMTEHJ-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)no1 ZINC000185131258 384684334 /nfs/dbraw/zinc/68/43/34/384684334.db2.gz IIRMSPACJKKDAM-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)no1 ZINC000185131258 384684341 /nfs/dbraw/zinc/68/43/41/384684341.db2.gz IIRMSPACJKKDAM-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO CCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000082462740 384685959 /nfs/dbraw/zinc/68/59/59/384685959.db2.gz GHDDXSYCDLYSIM-UHFFFAOYSA-N 1 2 206.293 1.899 20 0 BDADLO CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000082462740 384685968 /nfs/dbraw/zinc/68/59/68/384685968.db2.gz GHDDXSYCDLYSIM-UHFFFAOYSA-N 1 2 206.293 1.899 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000363680334 384686467 /nfs/dbraw/zinc/68/64/67/384686467.db2.gz ZFUBAQILEAVPEW-DTWKUNHWSA-N 1 2 239.344 1.544 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000363680334 384686468 /nfs/dbraw/zinc/68/64/68/384686468.db2.gz ZFUBAQILEAVPEW-DTWKUNHWSA-N 1 2 239.344 1.544 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1c(F)cccc1F ZINC000185186113 384686958 /nfs/dbraw/zinc/68/69/58/384686958.db2.gz RQMIKGZFDQOBTC-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(OC)cc1 ZINC000052039633 384709799 /nfs/dbraw/zinc/70/97/99/384709799.db2.gz XQPLEAGWAMJTAB-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(OC)cc1 ZINC000052039633 384709804 /nfs/dbraw/zinc/70/98/04/384709804.db2.gz XQPLEAGWAMJTAB-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO Nc1[nH+]cnc(N2CCC[C@@H](O)CC2)c1Cl ZINC000294275786 384713053 /nfs/dbraw/zinc/71/30/53/384713053.db2.gz XLANBPWGIIQFAJ-SSDOTTSWSA-N 1 2 242.710 1.063 20 0 BDADLO Nc1nc[nH+]c(N2CCC[C@@H](O)CC2)c1Cl ZINC000294275786 384713059 /nfs/dbraw/zinc/71/30/59/384713059.db2.gz XLANBPWGIIQFAJ-SSDOTTSWSA-N 1 2 242.710 1.063 20 0 BDADLO CC(=O)c1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000174343689 384776685 /nfs/dbraw/zinc/77/66/85/384776685.db2.gz DEZPCPHONLSQHE-UHFFFAOYSA-N 1 2 246.310 1.277 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)c1cccc(F)c1 ZINC000087114446 384740019 /nfs/dbraw/zinc/74/00/19/384740019.db2.gz HCANZXUPSARWHZ-MRXNPFEDSA-N 1 2 238.287 1.867 20 0 BDADLO Nc1cc(CSc2nnnn2C2CC2)cc[nH+]1 ZINC000052756114 384747339 /nfs/dbraw/zinc/74/73/39/384747339.db2.gz GNWILPBCSHCFTG-UHFFFAOYSA-N 1 2 248.315 1.278 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000083358731 384763499 /nfs/dbraw/zinc/76/34/99/384763499.db2.gz WQXWWFKHZXLHLP-SECBINFHSA-N 1 2 232.283 1.819 20 0 BDADLO COCc1cnc(C[NH2+][C@@H](C)CF)s1 ZINC000308503184 384768714 /nfs/dbraw/zinc/76/87/14/384768714.db2.gz BJNRFWNYJNSFTD-ZETCQYMHSA-N 1 2 218.297 1.737 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335411100 384819206 /nfs/dbraw/zinc/81/92/06/384819206.db2.gz XOFTXMBGUOAQDG-ONGXEEELSA-N 1 2 244.360 1.508 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335411100 384819214 /nfs/dbraw/zinc/81/92/14/384819214.db2.gz XOFTXMBGUOAQDG-ONGXEEELSA-N 1 2 244.360 1.508 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncnn2C(C)C)nc1 ZINC000400850330 384820724 /nfs/dbraw/zinc/82/07/24/384820724.db2.gz PXWWUYLGZDYCIF-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO O=C(CC1CCCCC1)NCc1c[nH+]c[nH]1 ZINC000084081815 384834587 /nfs/dbraw/zinc/83/45/87/384834587.db2.gz UQQVRYGJJBZPJE-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO O=C(CC1CCCCC1)NCc1c[nH]c[nH+]1 ZINC000084081815 384834597 /nfs/dbraw/zinc/83/45/97/384834597.db2.gz UQQVRYGJJBZPJE-UHFFFAOYSA-N 1 2 221.304 1.996 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ncccc1F ZINC000647196244 384786614 /nfs/dbraw/zinc/78/66/14/384786614.db2.gz UMYRFYOWSNAIHV-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000308533126 384788322 /nfs/dbraw/zinc/78/83/22/384788322.db2.gz KRUZDVBFESXQHA-VGMNWLOBSA-N 1 2 217.334 1.279 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(F)cc1 ZINC000398074558 384795218 /nfs/dbraw/zinc/79/52/18/384795218.db2.gz LECWAUHWAXPTMZ-LLVKDONJSA-N 1 2 249.293 1.590 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1csc(Cl)n1 ZINC000294122103 384799445 /nfs/dbraw/zinc/79/94/45/384799445.db2.gz OCBSMYISPNDDEB-QMMMGPOBSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1csc(Cl)n1 ZINC000294122103 384799454 /nfs/dbraw/zinc/79/94/54/384799454.db2.gz OCBSMYISPNDDEB-QMMMGPOBSA-N 1 2 234.752 1.999 20 0 BDADLO CCC[C@H]([NH2+][C@H](C)COC(C)C)C(=O)OC ZINC000310041368 384812485 /nfs/dbraw/zinc/81/24/85/384812485.db2.gz YNVIOBHNLFOZGP-MNOVXSKESA-N 1 2 231.336 1.731 20 0 BDADLO O=C1OCC[C@@H]1Sc1[nH+]cc2ccccn21 ZINC000026372717 384872445 /nfs/dbraw/zinc/87/24/45/384872445.db2.gz JUBBUDUBFBLIID-VIFPVBQESA-N 1 2 234.280 1.742 20 0 BDADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(F)F ZINC000517757962 384877750 /nfs/dbraw/zinc/87/77/50/384877750.db2.gz XFWGFRBBWRYZQE-MRVPVSSYSA-N 1 2 234.290 1.488 20 0 BDADLO Cc1cnc(C[N@@H+](C)CC2(CO)CC2)o1 ZINC000186778211 384879116 /nfs/dbraw/zinc/87/91/16/384879116.db2.gz PBUWGVGWYTWJHA-UHFFFAOYSA-N 1 2 210.277 1.187 20 0 BDADLO Cc1cnc(C[N@H+](C)CC2(CO)CC2)o1 ZINC000186778211 384879121 /nfs/dbraw/zinc/87/91/21/384879121.db2.gz PBUWGVGWYTWJHA-UHFFFAOYSA-N 1 2 210.277 1.187 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000449663761 384851283 /nfs/dbraw/zinc/85/12/83/384851283.db2.gz PADCBGWROFQUSO-VWYCJHECSA-N 1 2 229.320 1.484 20 0 BDADLO CCCCc1noc(C[N@H+](C)CCCO)n1 ZINC000300801059 384950171 /nfs/dbraw/zinc/95/01/71/384950171.db2.gz JCFWLSRXHZFFGT-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CCCO)n1 ZINC000300801059 384950175 /nfs/dbraw/zinc/95/01/75/384950175.db2.gz JCFWLSRXHZFFGT-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403296724 384898651 /nfs/dbraw/zinc/89/86/51/384898651.db2.gz PUBJNVYZRBLOEQ-KXUCPTDWSA-N 1 2 248.330 1.337 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403296724 384898657 /nfs/dbraw/zinc/89/86/57/384898657.db2.gz PUBJNVYZRBLOEQ-KXUCPTDWSA-N 1 2 248.330 1.337 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cnn[nH]2)c(C)o1 ZINC000398307282 384899847 /nfs/dbraw/zinc/89/98/47/384899847.db2.gz QBZUHZWVJUQAFS-MRVPVSSYSA-N 1 2 220.276 1.865 20 0 BDADLO Cc1nc(N2C[C@@H](F)[C@@H](F)C2)c(C)c(C)[nH+]1 ZINC000336267983 384907050 /nfs/dbraw/zinc/90/70/50/384907050.db2.gz JVYNCTLTOLIXOS-AOOOYVTPSA-N 1 2 227.258 1.898 20 0 BDADLO CCN(CC)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305814 384909443 /nfs/dbraw/zinc/90/94/43/384909443.db2.gz YASJJIWRZNUBEK-UHFFFAOYSA-N 1 2 232.327 1.871 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000644495007 384914208 /nfs/dbraw/zinc/91/42/08/384914208.db2.gz JKONZPDKPGXQSG-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000644495007 384914210 /nfs/dbraw/zinc/91/42/10/384914210.db2.gz JKONZPDKPGXQSG-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000244255543 384922664 /nfs/dbraw/zinc/92/26/64/384922664.db2.gz WJNVIZOGSUHCMI-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CC[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000244255543 384922668 /nfs/dbraw/zinc/92/26/68/384922668.db2.gz WJNVIZOGSUHCMI-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO Cn1c[nH+]cc1CNc1ccccc1CO ZINC000085168843 384924227 /nfs/dbraw/zinc/92/42/27/384924227.db2.gz NHCFLSYIRXTUIZ-UHFFFAOYSA-N 1 2 217.272 1.525 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)n1 ZINC000647610299 384934734 /nfs/dbraw/zinc/93/47/34/384934734.db2.gz KWQGMPFQVORJGQ-ZKWXMUAHSA-N 1 2 211.265 1.206 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]C1COC1)CO2 ZINC000376857853 384935611 /nfs/dbraw/zinc/93/56/11/384935611.db2.gz JEYOVHBCGJWSOT-LLVKDONJSA-N 1 2 205.257 1.417 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCOC2)oc1C ZINC000106882274 384938261 /nfs/dbraw/zinc/93/82/61/384938261.db2.gz CQQRKXKDKIHWCM-SNVBAGLBSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCOC2)oc1C ZINC000106882274 384938268 /nfs/dbraw/zinc/93/82/68/384938268.db2.gz CQQRKXKDKIHWCM-SNVBAGLBSA-N 1 2 210.277 1.512 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127746738 384941165 /nfs/dbraw/zinc/94/11/65/384941165.db2.gz CISMGUCOGYTLNX-GFCCVEGCSA-N 1 2 249.358 1.847 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127746738 384941168 /nfs/dbraw/zinc/94/11/68/384941168.db2.gz CISMGUCOGYTLNX-GFCCVEGCSA-N 1 2 249.358 1.847 20 0 BDADLO O=C(NCCn1cc[nH+]c1)OC1CCC1 ZINC000497316014 384966182 /nfs/dbraw/zinc/96/61/82/384966182.db2.gz SCQRXELXLOWYJS-UHFFFAOYSA-N 1 2 209.249 1.162 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000085771658 384966494 /nfs/dbraw/zinc/96/64/94/384966494.db2.gz AHZAQODNRDJAOF-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000085771658 384966501 /nfs/dbraw/zinc/96/65/01/384966501.db2.gz AHZAQODNRDJAOF-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000164343658 384968952 /nfs/dbraw/zinc/96/89/52/384968952.db2.gz UGBQSGFMJVYVFH-LLVKDONJSA-N 1 2 237.328 1.469 20 0 BDADLO CSC[C@H](O)C[N@H+](C)Cc1cc(C)on1 ZINC000187738431 384976428 /nfs/dbraw/zinc/97/64/28/384976428.db2.gz LAPARSIMUZUVJY-SNVBAGLBSA-N 1 2 230.333 1.139 20 0 BDADLO CSC[C@H](O)C[N@@H+](C)Cc1cc(C)on1 ZINC000187738431 384976435 /nfs/dbraw/zinc/97/64/35/384976435.db2.gz LAPARSIMUZUVJY-SNVBAGLBSA-N 1 2 230.333 1.139 20 0 BDADLO CC(C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000086166479 384993538 /nfs/dbraw/zinc/99/35/38/384993538.db2.gz CWRJYMLOGMJHRA-UHFFFAOYSA-N 1 2 224.308 1.323 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnccn1 ZINC000516734456 384995673 /nfs/dbraw/zinc/99/56/73/384995673.db2.gz SSHJWGKQQSPNCK-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cnccn1 ZINC000516734456 384995679 /nfs/dbraw/zinc/99/56/79/384995679.db2.gz SSHJWGKQQSPNCK-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000156866152 384995825 /nfs/dbraw/zinc/99/58/25/384995825.db2.gz QERYUYQMOBAUFM-LLVKDONJSA-N 1 2 217.272 1.716 20 0 BDADLO C[C@H]([NH2+]Cc1ccns1)c1csnn1 ZINC000404451963 384999252 /nfs/dbraw/zinc/99/92/52/384999252.db2.gz RVGKCLWNEJTGKY-LURJTMIESA-N 1 2 226.330 1.845 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCn1cccn1 ZINC000107285393 384961860 /nfs/dbraw/zinc/96/18/60/384961860.db2.gz OVIPGQHETOIGAO-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000408374218 385050989 /nfs/dbraw/zinc/05/09/89/385050989.db2.gz JVTRREYQBMNLMG-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)[nH]2)C1 ZINC000408374218 385050990 /nfs/dbraw/zinc/05/09/90/385050990.db2.gz JVTRREYQBMNLMG-JTQLQIEISA-N 1 2 238.335 1.539 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCOC2)[nH]1 ZINC000408374804 385056413 /nfs/dbraw/zinc/05/64/13/385056413.db2.gz MTGWKTFTDFILFF-SECBINFHSA-N 1 2 224.308 1.149 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCOC2)[nH]1 ZINC000408374804 385056422 /nfs/dbraw/zinc/05/64/22/385056422.db2.gz MTGWKTFTDFILFF-SECBINFHSA-N 1 2 224.308 1.149 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C1CC1 ZINC000362962860 385060106 /nfs/dbraw/zinc/06/01/06/385060106.db2.gz XGGYVYPXGGWGFM-NSHDSACASA-N 1 2 248.330 1.504 20 0 BDADLO CCc1cccc(C[N@H+](C)CC(=O)OC)c1 ZINC000188630623 385071658 /nfs/dbraw/zinc/07/16/58/385071658.db2.gz LGWMZANDSKGTKN-UHFFFAOYSA-N 1 2 221.300 1.854 20 0 BDADLO CCc1cccc(C[N@@H+](C)CC(=O)OC)c1 ZINC000188630623 385071664 /nfs/dbraw/zinc/07/16/64/385071664.db2.gz LGWMZANDSKGTKN-UHFFFAOYSA-N 1 2 221.300 1.854 20 0 BDADLO CN(C)c1ccc(NCc2cncn2C)[nH+]c1 ZINC000150908254 385071871 /nfs/dbraw/zinc/07/18/71/385071871.db2.gz GJEOOZXQMMKNSB-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000334140242 385024512 /nfs/dbraw/zinc/02/45/12/385024512.db2.gz DLQBJDOFPLCZDP-XVKPBYJWSA-N 1 2 240.253 1.906 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000176204765 385036135 /nfs/dbraw/zinc/03/61/35/385036135.db2.gz FQLJIXGQOKMRKJ-SNVBAGLBSA-N 1 2 220.272 1.673 20 0 BDADLO Cc1ccc(NC(=O)CCn2cccn2)c(C)[nH+]1 ZINC000176193951 385037491 /nfs/dbraw/zinc/03/74/91/385037491.db2.gz UGLAAPXKYKAFPK-UHFFFAOYSA-N 1 2 244.298 1.924 20 0 BDADLO O=C1CC[N@H+](Cc2cnc(Cl)s2)CCN1 ZINC000086776845 385045087 /nfs/dbraw/zinc/04/50/87/385045087.db2.gz UTZAFFWDXYVAJY-UHFFFAOYSA-N 1 2 245.735 1.118 20 0 BDADLO O=C1CC[N@@H+](Cc2cnc(Cl)s2)CCN1 ZINC000086776845 385045094 /nfs/dbraw/zinc/04/50/94/385045094.db2.gz UTZAFFWDXYVAJY-UHFFFAOYSA-N 1 2 245.735 1.118 20 0 BDADLO CCCCOC(=O)CN(C)Cc1[nH+]ccn1C ZINC000059382817 385046162 /nfs/dbraw/zinc/04/61/62/385046162.db2.gz BGKLNESHURGDMS-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO CCO[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000109889341 385112876 /nfs/dbraw/zinc/11/28/76/385112876.db2.gz HSRUFYBEKGIISJ-SSDOTTSWSA-N 1 2 210.233 1.151 20 0 BDADLO Nc1[nH+]cnc(NC[C@H]2CC[C@@H](O)C2)c1Cl ZINC000236392613 385116562 /nfs/dbraw/zinc/11/65/62/385116562.db2.gz DHXMRFVPIPQUPC-NKWVEPMBSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@H]2CC[C@@H](O)C2)c1Cl ZINC000236392613 385116587 /nfs/dbraw/zinc/11/65/87/385116587.db2.gz DHXMRFVPIPQUPC-NKWVEPMBSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c[nH+]1 ZINC000151677519 385124336 /nfs/dbraw/zinc/12/43/36/385124336.db2.gz BGGNOAMBUAXFOB-BBBLOLIVSA-N 1 2 233.271 1.170 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC12CC2 ZINC000424062051 385097806 /nfs/dbraw/zinc/09/78/06/385097806.db2.gz KFLVBZNQQIOTJF-SNVBAGLBSA-N 1 2 234.303 1.125 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OC ZINC000313000375 385098898 /nfs/dbraw/zinc/09/88/98/385098898.db2.gz XOBCOLGEQAFSAQ-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000176507721 385105086 /nfs/dbraw/zinc/10/50/86/385105086.db2.gz CIQVFVRRCZISIQ-VIFPVBQESA-N 1 2 231.303 1.600 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000246075388 385105373 /nfs/dbraw/zinc/10/53/73/385105373.db2.gz FXSNXMUOQBFZDQ-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H]([C@H](C)O)C2)no1 ZINC000246075388 385105377 /nfs/dbraw/zinc/10/53/77/385105377.db2.gz FXSNXMUOQBFZDQ-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CC[C@@H](C)N(CCO)c1cc(C)[nH+]cn1 ZINC000308815969 385185327 /nfs/dbraw/zinc/18/53/27/385185327.db2.gz PHOJAJQGXSBCTQ-SNVBAGLBSA-N 1 2 209.293 1.382 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000152545154 385191259 /nfs/dbraw/zinc/19/12/59/385191259.db2.gz YOWJAONRSQRDHL-LLVKDONJSA-N 1 2 237.328 1.603 20 0 BDADLO CC(C)[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000152535278 385192574 /nfs/dbraw/zinc/19/25/74/385192574.db2.gz KSHHUMPXKHJHPW-SNVBAGLBSA-N 1 2 234.303 1.276 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](O)C1(C)C ZINC000336373386 385193139 /nfs/dbraw/zinc/19/31/39/385193139.db2.gz AJCGATMMQDVMQK-NSHDSACASA-N 1 2 249.314 1.189 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647056992 385198118 /nfs/dbraw/zinc/19/81/18/385198118.db2.gz FWQMYUZNVILOAY-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2ccoc2)nn1 ZINC000189959244 385199574 /nfs/dbraw/zinc/19/95/74/385199574.db2.gz ZAUKIIUJFJAHFS-UHFFFAOYSA-N 1 2 234.303 1.916 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@H](C)C1(F)F ZINC000359265995 385143808 /nfs/dbraw/zinc/14/38/08/385143808.db2.gz GBTOYUAPPLGIGH-HRDYMLBCSA-N 1 2 243.257 1.289 20 0 BDADLO Cc1ccc(NC(=O)NC[C@H](C)O)c(C)[nH+]1 ZINC000176767090 385143963 /nfs/dbraw/zinc/14/39/63/385143963.db2.gz RNZXGQNKFKVMTH-QMMMGPOBSA-N 1 2 223.276 1.201 20 0 BDADLO CC(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000176795991 385149193 /nfs/dbraw/zinc/14/91/93/385149193.db2.gz ZHWFIJNVNJCKOU-UHFFFAOYSA-N 1 2 245.286 1.546 20 0 BDADLO CONC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000109354917 385150730 /nfs/dbraw/zinc/15/07/30/385150730.db2.gz IMMVUJCMIRHJAO-UHFFFAOYSA-N 1 2 234.259 1.003 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000177979927 385157561 /nfs/dbraw/zinc/15/75/61/385157561.db2.gz OPUYADQWEBXREB-JTQLQIEISA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@](C)(O)C1 ZINC000177979927 385157566 /nfs/dbraw/zinc/15/75/66/385157566.db2.gz OPUYADQWEBXREB-JTQLQIEISA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCC1CC1 ZINC000129562198 385162382 /nfs/dbraw/zinc/16/23/82/385162382.db2.gz JEQMOQHTHJPZLL-UHFFFAOYSA-N 1 2 220.301 1.865 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCOC2)no1 ZINC000107696142 385206922 /nfs/dbraw/zinc/20/69/22/385206922.db2.gz VEHNHOCZXJZDIY-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCOC2)no1 ZINC000107696142 385206925 /nfs/dbraw/zinc/20/69/25/385206925.db2.gz VEHNHOCZXJZDIY-SNVBAGLBSA-N 1 2 225.292 1.236 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CCCOCC2)n1 ZINC000363379003 385211908 /nfs/dbraw/zinc/21/19/08/385211908.db2.gz JCXZIYYELGZOIO-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CCCOCC2)n1 ZINC000363379003 385211918 /nfs/dbraw/zinc/21/19/18/385211918.db2.gz JCXZIYYELGZOIO-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CN(Cc1cnn(C)c1)c1cc[nH+]c(C2CC2)n1 ZINC000110115198 385212085 /nfs/dbraw/zinc/21/20/85/385212085.db2.gz XNZGPRWOXJXDSQ-UHFFFAOYSA-N 1 2 243.314 1.724 20 0 BDADLO CC(=O)NCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110127959 385216332 /nfs/dbraw/zinc/21/63/32/385216332.db2.gz QANVZZCOXIJCHM-UHFFFAOYSA-N 1 2 234.303 1.292 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000190173752 385216554 /nfs/dbraw/zinc/21/65/54/385216554.db2.gz MFIOJNUVAXDWBJ-SKDRFNHKSA-N 1 2 249.314 1.625 20 0 BDADLO Fc1ccc([C@@H]([NH2+]C2CC2)c2cnn[nH]2)cc1 ZINC000559892513 385221970 /nfs/dbraw/zinc/22/19/70/385221970.db2.gz BNXNKMSEUHOFON-GFCCVEGCSA-N 1 2 232.262 1.785 20 0 BDADLO Fc1ccc([C@@H]([NH2+]C2CC2)c2c[nH]nn2)cc1 ZINC000559892513 385221975 /nfs/dbraw/zinc/22/19/75/385221975.db2.gz BNXNKMSEUHOFON-GFCCVEGCSA-N 1 2 232.262 1.785 20 0 BDADLO Fc1ccc([C@@H]([NH2+]C2CC2)c2cn[nH]n2)cc1 ZINC000559892513 385221981 /nfs/dbraw/zinc/22/19/81/385221981.db2.gz BNXNKMSEUHOFON-GFCCVEGCSA-N 1 2 232.262 1.785 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cc(C2CC2)on1 ZINC000292101721 385223839 /nfs/dbraw/zinc/22/38/39/385223839.db2.gz VNMVHKXTKGWMAD-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC(C)=CCNC(=O)NCCCn1cc[nH+]c1 ZINC000190255099 385226186 /nfs/dbraw/zinc/22/61/86/385226186.db2.gz ZNAAOPGEMCDLHK-UHFFFAOYSA-N 1 2 236.319 1.539 20 0 BDADLO c1c[nH+]c(CNc2cccc(-c3nc[nH]n3)c2)[nH]1 ZINC000157664196 385241293 /nfs/dbraw/zinc/24/12/93/385241293.db2.gz CBEUIKQWINKCAK-UHFFFAOYSA-N 1 2 240.270 1.807 20 0 BDADLO CC(C)n1cc[nH+]c1CSC[C@H](O)CO ZINC000177437368 385242422 /nfs/dbraw/zinc/24/24/22/385242422.db2.gz XCFQPWKEVPNYLX-SECBINFHSA-N 1 2 230.333 1.050 20 0 BDADLO C[C@@H](O)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110599993 385249396 /nfs/dbraw/zinc/24/93/96/385249396.db2.gz VLQBIVOGUIVZDM-SNVBAGLBSA-N 1 2 247.342 1.951 20 0 BDADLO C[C@@H](CNC(=O)c1ccc[nH]1)Cn1cc[nH+]c1 ZINC000153382737 385251282 /nfs/dbraw/zinc/25/12/82/385251282.db2.gz HYGVVVUURNSUPX-JTQLQIEISA-N 1 2 232.287 1.277 20 0 BDADLO CN(Cc1ccncc1)c1nc[nH+]c(N)c1Cl ZINC000227845726 385255571 /nfs/dbraw/zinc/25/55/71/385255571.db2.gz ALCJRNHVWJKZEE-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO CCONC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177909887 385304867 /nfs/dbraw/zinc/30/48/67/385304867.db2.gz CDAZODINTQANFQ-UHFFFAOYSA-N 1 2 234.259 1.085 20 0 BDADLO Cc1cnc(C[NH2+]C[C@@H](C)N(C)C)s1 ZINC000294923513 385312332 /nfs/dbraw/zinc/31/23/32/385312332.db2.gz BRIDFXWUCUREIC-MRVPVSSYSA-N 1 2 213.350 1.491 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000052396030 385318356 /nfs/dbraw/zinc/31/83/56/385318356.db2.gz CDOROXOIGAQALZ-SNVBAGLBSA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000052396030 385318363 /nfs/dbraw/zinc/31/83/63/385318363.db2.gz CDOROXOIGAQALZ-SNVBAGLBSA-N 1 2 239.319 1.397 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccc(Cl)c1F ZINC000191725168 385319032 /nfs/dbraw/zinc/31/90/32/385319032.db2.gz DPWCEECESZDOCW-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccc(Cl)c1F ZINC000191725168 385319036 /nfs/dbraw/zinc/31/90/36/385319036.db2.gz DPWCEECESZDOCW-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(F)ccc1Cl ZINC000191709295 385319634 /nfs/dbraw/zinc/31/96/34/385319634.db2.gz NSOYQLBFXOHCLP-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(F)ccc1Cl ZINC000191709295 385319636 /nfs/dbraw/zinc/31/96/36/385319636.db2.gz NSOYQLBFXOHCLP-UHFFFAOYSA-N 1 2 244.697 1.786 20 0 BDADLO C[C@H](CNC(=O)c1ccoc1)Cn1cc[nH+]c1 ZINC000153549071 385264552 /nfs/dbraw/zinc/26/45/52/385264552.db2.gz TZIMDYSBOSWCEU-SNVBAGLBSA-N 1 2 233.271 1.542 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1ccn(C)c1)C1CC1 ZINC000273021133 385278518 /nfs/dbraw/zinc/27/85/18/385278518.db2.gz WXZATPWNTBFFGA-LLVKDONJSA-N 1 2 222.288 1.066 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)o1 ZINC000407980339 385281357 /nfs/dbraw/zinc/28/13/57/385281357.db2.gz IJCIMBGIMFVZME-RKDXNWHRSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOC[C@H](C)C2)o1 ZINC000407980339 385281363 /nfs/dbraw/zinc/28/13/63/385281363.db2.gz IJCIMBGIMFVZME-RKDXNWHRSA-N 1 2 225.292 1.407 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000191145052 385285754 /nfs/dbraw/zinc/28/57/54/385285754.db2.gz WZYQPMSSJCBQED-CYBMUJFWSA-N 1 2 239.315 1.773 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000191145052 385285760 /nfs/dbraw/zinc/28/57/60/385285760.db2.gz WZYQPMSSJCBQED-CYBMUJFWSA-N 1 2 239.315 1.773 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CC1(OC)CCCC1 ZINC000308911534 385287530 /nfs/dbraw/zinc/28/75/30/385287530.db2.gz DVKSKUAXGDUDPW-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO CN(Cc1ccc(CO)o1)Cc1[nH+]ccn1C ZINC000130837452 385288582 /nfs/dbraw/zinc/28/85/82/385288582.db2.gz WACYNFWVZXMEDD-UHFFFAOYSA-N 1 2 235.287 1.137 20 0 BDADLO COC[C@@H]([NH2+]CCC(C)(C)C)C(=O)OC ZINC000308941288 385299457 /nfs/dbraw/zinc/29/94/57/385299457.db2.gz MGMPQPKSNPVDER-SECBINFHSA-N 1 2 217.309 1.200 20 0 BDADLO CCN(Cc1ccccc1)c1nc(C)[nH+]c(N)n1 ZINC000307662103 385329412 /nfs/dbraw/zinc/32/94/12/385329412.db2.gz VQMBTKICPSIFES-UHFFFAOYSA-N 1 2 243.314 1.789 20 0 BDADLO CCN(Cc1ccccc1)c1nc(N)nc(C)[nH+]1 ZINC000307662103 385329417 /nfs/dbraw/zinc/32/94/17/385329417.db2.gz VQMBTKICPSIFES-UHFFFAOYSA-N 1 2 243.314 1.789 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cccnc1C ZINC000178871895 385340636 /nfs/dbraw/zinc/34/06/36/385340636.db2.gz WVDGHTMQYOLDNA-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cccnc1C ZINC000178871895 385340640 /nfs/dbraw/zinc/34/06/40/385340640.db2.gz WVDGHTMQYOLDNA-UHFFFAOYSA-N 1 2 236.315 1.775 20 0 BDADLO CS[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178378060 385363098 /nfs/dbraw/zinc/36/30/98/385363098.db2.gz AXWBJUQNHRTNCP-SECBINFHSA-N 1 2 249.339 1.702 20 0 BDADLO CC(C)(CO)CCNc1nc[nH+]c(N)c1Cl ZINC000294993081 385363687 /nfs/dbraw/zinc/36/36/87/385363687.db2.gz QPRXHXLASGGJCI-UHFFFAOYSA-N 1 2 244.726 1.533 20 0 BDADLO CC(C)(CO)CCNc1[nH+]cnc(N)c1Cl ZINC000294993081 385363692 /nfs/dbraw/zinc/36/36/92/385363692.db2.gz QPRXHXLASGGJCI-UHFFFAOYSA-N 1 2 244.726 1.533 20 0 BDADLO CCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154903367 385364235 /nfs/dbraw/zinc/36/42/35/385364235.db2.gz VHHXUVXITUAQTO-UHFFFAOYSA-N 1 2 209.293 1.532 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000158229534 385370629 /nfs/dbraw/zinc/37/06/29/385370629.db2.gz XGBZQANOHGJDMX-SNVBAGLBSA-N 1 2 221.304 1.312 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1CCOC1)C(=O)OC ZINC000179337416 385374245 /nfs/dbraw/zinc/37/42/45/385374245.db2.gz PECRWVSHLTVWFO-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO CCN(CC1CC1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000644018571 385379793 /nfs/dbraw/zinc/37/97/93/385379793.db2.gz DBBGNPNXVOZMAO-JTQLQIEISA-N 1 2 239.344 1.401 20 0 BDADLO CC[S@](=O)Cc1cn2c(cccc2C)[nH+]1 ZINC000155246174 385383569 /nfs/dbraw/zinc/38/35/69/385383569.db2.gz PGHIAUJNWSVRBV-OAHLLOKOSA-N 1 2 222.313 1.911 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnn(C)c1 ZINC000178587382 385393885 /nfs/dbraw/zinc/39/38/85/385393885.db2.gz SQGBRFWOPSUKPU-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnn(C)c1 ZINC000178587382 385393888 /nfs/dbraw/zinc/39/38/88/385393888.db2.gz SQGBRFWOPSUKPU-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000364381899 385398388 /nfs/dbraw/zinc/39/83/88/385398388.db2.gz KKACUMAVIDDVGB-NSHDSACASA-N 1 2 235.331 1.702 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000364381892 385398440 /nfs/dbraw/zinc/39/84/40/385398440.db2.gz KKACUMAVIDDVGB-LLVKDONJSA-N 1 2 235.331 1.702 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2nnc(CC)s2)cn1 ZINC000289413749 385400481 /nfs/dbraw/zinc/40/04/81/385400481.db2.gz ALZDEJZVTFBOLI-UHFFFAOYSA-N 1 2 249.343 1.687 20 0 BDADLO C=Cn1cc(C[N@H+](CCC)CC(=O)OC)cn1 ZINC000193578607 385402273 /nfs/dbraw/zinc/40/22/73/385402273.db2.gz NHXLQXDXNGBIKX-UHFFFAOYSA-N 1 2 237.303 1.369 20 0 BDADLO C=Cn1cc(C[N@@H+](CCC)CC(=O)OC)cn1 ZINC000193578607 385402279 /nfs/dbraw/zinc/40/22/79/385402279.db2.gz NHXLQXDXNGBIKX-UHFFFAOYSA-N 1 2 237.303 1.369 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000193713651 385409185 /nfs/dbraw/zinc/40/91/85/385409185.db2.gz TVQLKYQIOFPJHF-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193713651 385409187 /nfs/dbraw/zinc/40/91/87/385409187.db2.gz TVQLKYQIOFPJHF-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)cs1 ZINC000120742744 385414601 /nfs/dbraw/zinc/41/46/01/385414601.db2.gz BQZPLJDBMUHWHY-VIFPVBQESA-N 1 2 241.360 1.441 20 0 BDADLO c1nc(C[N@@H+]2CCc3ccccc3C2)c[nH]1 ZINC000178841794 385421388 /nfs/dbraw/zinc/42/13/88/385421388.db2.gz QDFQXGSNNRBPOK-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO c1nc(C[N@H+]2CCc3ccccc3C2)c[nH]1 ZINC000178841794 385421391 /nfs/dbraw/zinc/42/13/91/385421391.db2.gz QDFQXGSNNRBPOK-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO c1ncc(C[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000178841794 385421393 /nfs/dbraw/zinc/42/13/93/385421393.db2.gz QDFQXGSNNRBPOK-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO c1ncc(C[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000178841794 385421395 /nfs/dbraw/zinc/42/13/95/385421395.db2.gz QDFQXGSNNRBPOK-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(F)c1 ZINC000156439469 385452615 /nfs/dbraw/zinc/45/26/15/385452615.db2.gz ZMFXTNZBIXBINA-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(F)c1 ZINC000156439469 385452621 /nfs/dbraw/zinc/45/26/21/385452621.db2.gz ZMFXTNZBIXBINA-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C1CC1)C1CC1 ZINC000636257619 385456034 /nfs/dbraw/zinc/45/60/34/385456034.db2.gz AJEBLXIRGHXIKW-GHMZBOCLSA-N 1 2 231.299 1.667 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C1CC1)C1CC1 ZINC000636257619 385456038 /nfs/dbraw/zinc/45/60/38/385456038.db2.gz AJEBLXIRGHXIKW-GHMZBOCLSA-N 1 2 231.299 1.667 20 0 BDADLO CCOC(=O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182270535 385436658 /nfs/dbraw/zinc/43/66/58/385436658.db2.gz WCLDDGSOGLVBRM-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO Cn1ncc2c1nc(NCC(C)(C)C)[nH+]c2N ZINC000195212544 385464958 /nfs/dbraw/zinc/46/49/58/385464958.db2.gz KKWZNIOJLFKOME-UHFFFAOYSA-N 1 2 234.307 1.404 20 0 BDADLO O=C1C[N@@H+](C/C=C/Cl)[C@H]2CCCC[C@@H]2N1 ZINC000156865708 385470441 /nfs/dbraw/zinc/47/04/41/385470441.db2.gz NRXPVUXXGHWHPP-YEXVBOHQSA-N 1 2 228.723 1.482 20 0 BDADLO O=C1C[N@H+](C/C=C/Cl)[C@H]2CCCC[C@@H]2N1 ZINC000156865708 385470443 /nfs/dbraw/zinc/47/04/43/385470443.db2.gz NRXPVUXXGHWHPP-YEXVBOHQSA-N 1 2 228.723 1.482 20 0 BDADLO Cc1scc(C(=O)NCCn2cc[nH+]c2)c1C ZINC000179748613 385488440 /nfs/dbraw/zinc/48/84/40/385488440.db2.gz DSPSPAXOZMFYGY-UHFFFAOYSA-N 1 2 249.339 1.991 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnoc1C1CC1 ZINC000364620099 385482633 /nfs/dbraw/zinc/48/26/33/385482633.db2.gz CKZKHMAMQLYJNH-MNOVXSKESA-N 1 2 240.278 1.457 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnoc1C1CC1 ZINC000364620099 385482638 /nfs/dbraw/zinc/48/26/38/385482638.db2.gz CKZKHMAMQLYJNH-MNOVXSKESA-N 1 2 240.278 1.457 20 0 BDADLO C/C(=C\c1ccccc1)C[N@@H+]1CCNC(=O)[C@H]1C ZINC000179721098 385487254 /nfs/dbraw/zinc/48/72/54/385487254.db2.gz OCNCQWVAYMEMRH-RSKUSDAESA-N 1 2 244.338 1.910 20 0 BDADLO C/C(=C\c1ccccc1)C[N@H+]1CCNC(=O)[C@H]1C ZINC000179721098 385487256 /nfs/dbraw/zinc/48/72/56/385487256.db2.gz OCNCQWVAYMEMRH-RSKUSDAESA-N 1 2 244.338 1.910 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC[C@@H]1CCO ZINC000492896319 385460100 /nfs/dbraw/zinc/46/01/00/385460100.db2.gz IXHLIMOHGKYONS-ZYOFXKKJSA-N 1 2 249.314 1.186 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2CC)CCO1 ZINC000179930125 385500887 /nfs/dbraw/zinc/50/08/87/385500887.db2.gz WDFAGIUYSARPCG-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CC)CCO1 ZINC000179930125 385500889 /nfs/dbraw/zinc/50/08/89/385500889.db2.gz WDFAGIUYSARPCG-GFCCVEGCSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C\[C@H]1CCOC1 ZINC000493072715 385512591 /nfs/dbraw/zinc/51/25/91/385512591.db2.gz RCVUCLJXUUYVHG-BYCRGOAPSA-N 1 2 249.314 1.112 20 0 BDADLO O=C1NCC[N@@H+](CCCF)[C@H]1c1cccs1 ZINC000364893541 385536232 /nfs/dbraw/zinc/53/62/32/385536232.db2.gz PYLYFBXXSHRLPJ-JTQLQIEISA-N 1 2 242.319 1.581 20 0 BDADLO O=C1NCC[N@H+](CCCF)[C@H]1c1cccs1 ZINC000364893541 385536238 /nfs/dbraw/zinc/53/62/38/385536238.db2.gz PYLYFBXXSHRLPJ-JTQLQIEISA-N 1 2 242.319 1.581 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CCn2cccn2)n1 ZINC000171967234 385537436 /nfs/dbraw/zinc/53/74/36/385537436.db2.gz XTBBCSRIWRUCIM-UHFFFAOYSA-N 1 2 249.318 1.522 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CCn2cccn2)n1 ZINC000171967234 385537440 /nfs/dbraw/zinc/53/74/40/385537440.db2.gz XTBBCSRIWRUCIM-UHFFFAOYSA-N 1 2 249.318 1.522 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1ccon1 ZINC000157967849 385541969 /nfs/dbraw/zinc/54/19/69/385541969.db2.gz DIHFHNMHFIEWHW-UHFFFAOYSA-N 1 2 223.301 1.806 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1ccon1 ZINC000157967849 385541973 /nfs/dbraw/zinc/54/19/73/385541973.db2.gz DIHFHNMHFIEWHW-UHFFFAOYSA-N 1 2 223.301 1.806 20 0 BDADLO Cc1nc(N2CC(C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000643170275 385545638 /nfs/dbraw/zinc/54/56/38/385545638.db2.gz ITCFBEHQPJDDOE-UHFFFAOYSA-N 1 2 233.319 1.092 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(C3CC3)C2)[nH+]1 ZINC000643170275 385545642 /nfs/dbraw/zinc/54/56/42/385545642.db2.gz ITCFBEHQPJDDOE-UHFFFAOYSA-N 1 2 233.319 1.092 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1csc(Cl)n1 ZINC000295282229 385523724 /nfs/dbraw/zinc/52/37/24/385523724.db2.gz IOOICERVPNRKOS-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1csc(Cl)n1 ZINC000295282229 385523727 /nfs/dbraw/zinc/52/37/27/385523727.db2.gz IOOICERVPNRKOS-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ncc(C)s1 ZINC000180437372 385523842 /nfs/dbraw/zinc/52/38/42/385523842.db2.gz DIJLADJEELAHTB-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ncc(C)s1 ZINC000180437372 385523844 /nfs/dbraw/zinc/52/38/44/385523844.db2.gz DIJLADJEELAHTB-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CCc1cc(N)nc(SCC2(C)COC2)[nH+]1 ZINC000309301914 385525408 /nfs/dbraw/zinc/52/54/08/385525408.db2.gz UHDSKIZXHGJSAS-UHFFFAOYSA-N 1 2 239.344 1.750 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H](C)COC(C)C)n1 ZINC000309395569 385561884 /nfs/dbraw/zinc/56/18/84/385561884.db2.gz VEHZWNNQNPGWDV-IUCAKERBSA-N 1 2 227.308 1.842 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)OC)[C@@H]1SC ZINC000309424566 385577007 /nfs/dbraw/zinc/57/70/07/385577007.db2.gz FDZKRBWLMMBIOO-RGOKHQFPSA-N 1 2 247.360 1.047 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCC[C@H]1O ZINC000052007357 385604305 /nfs/dbraw/zinc/60/43/05/385604305.db2.gz NHOVTMXAPVEAFU-NXEZZACHSA-N 1 2 247.302 1.079 20 0 BDADLO Cc1cnc(NC[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000309479645 385605559 /nfs/dbraw/zinc/60/55/59/385605559.db2.gz SQOHKBRKVHKRSH-JTQLQIEISA-N 1 2 240.376 1.109 20 0 BDADLO Cc1cnc(NC[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000309479645 385605562 /nfs/dbraw/zinc/60/55/62/385605562.db2.gz SQOHKBRKVHKRSH-JTQLQIEISA-N 1 2 240.376 1.109 20 0 BDADLO Nc1c(NCC2CCC2)[nH+]cnc1-n1cccn1 ZINC000269670527 385620362 /nfs/dbraw/zinc/62/03/62/385620362.db2.gz YWUZWECRTBRJKI-UHFFFAOYSA-N 1 2 244.302 1.457 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CCCCO1 ZINC000066496335 385621356 /nfs/dbraw/zinc/62/13/56/385621356.db2.gz ABQVDNBCAPRVAJ-SECBINFHSA-N 1 2 215.293 1.097 20 0 BDADLO C[C@]1(C(=O)Nc2c[nH+]c3n2CCCC3)C[C@@H]1F ZINC000335190410 385621740 /nfs/dbraw/zinc/62/17/40/385621740.db2.gz DBZSXWZAZCNXJJ-UFBFGSQYSA-N 1 2 237.278 1.906 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC(=O)[C@H](C)C1 ZINC000281022118 385627107 /nfs/dbraw/zinc/62/71/07/385627107.db2.gz SIZAWHFIHFHXLS-SNVBAGLBSA-N 1 2 247.298 1.833 20 0 BDADLO CS[C@@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269806477 385636816 /nfs/dbraw/zinc/63/68/16/385636816.db2.gz BGBGGAHAKLWOGX-LURJTMIESA-N 1 2 213.306 1.199 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CCCC1 ZINC000281052431 385630092 /nfs/dbraw/zinc/63/00/92/385630092.db2.gz XOZHESUVTTULAT-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CC(C)n1ncnc1CN1CCn2c[nH+]cc2C1 ZINC000647939503 385631042 /nfs/dbraw/zinc/63/10/42/385631042.db2.gz QFEUEDLYBBPRCE-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)ccc1C ZINC000366561935 385634538 /nfs/dbraw/zinc/63/45/38/385634538.db2.gz UNCOTRHZWXTSHR-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)ccc1C ZINC000366561935 385634548 /nfs/dbraw/zinc/63/45/48/385634548.db2.gz UNCOTRHZWXTSHR-OCCSQVGLSA-N 1 2 233.311 1.977 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)N1CCn2c[nH+]cc2C1 ZINC000365698449 385635492 /nfs/dbraw/zinc/63/54/92/385635492.db2.gz PLXHHORKDFAOKM-ONEGZZNKSA-N 1 2 242.282 1.267 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1scnc1C ZINC000280868096 385612744 /nfs/dbraw/zinc/61/27/44/385612744.db2.gz ZHLHYGMTDXSPEH-VIFPVBQESA-N 1 2 242.344 1.487 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1scnc1C ZINC000280868096 385612745 /nfs/dbraw/zinc/61/27/45/385612745.db2.gz ZHLHYGMTDXSPEH-VIFPVBQESA-N 1 2 242.344 1.487 20 0 BDADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCOC1 ZINC000290885849 385659427 /nfs/dbraw/zinc/65/94/27/385659427.db2.gz FFCIIFHFWVZJLL-ZDUSSCGKSA-N 1 2 249.314 1.042 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000182464120 385671684 /nfs/dbraw/zinc/67/16/84/385671684.db2.gz YPVFHINUVNURAR-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000182464120 385671687 /nfs/dbraw/zinc/67/16/87/385671687.db2.gz YPVFHINUVNURAR-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CN(C)c1ccc(C[NH2+]Cc2cocn2)cn1 ZINC000270282120 385693319 /nfs/dbraw/zinc/69/33/19/385693319.db2.gz YIDRVCNPFQOGPF-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184697167 385693412 /nfs/dbraw/zinc/69/34/12/385693412.db2.gz MBYVYHJQFPHLNV-SECBINFHSA-N 1 2 245.269 1.973 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000337500251 385694290 /nfs/dbraw/zinc/69/42/90/385694290.db2.gz VIXPTZKCQAVHNE-HLUHBDAQSA-N 1 2 234.299 1.564 20 0 BDADLO C[C@H](CO)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000270317654 385695726 /nfs/dbraw/zinc/69/57/26/385695726.db2.gz VPYYACBMQZZROV-VIFPVBQESA-N 1 2 236.319 1.339 20 0 BDADLO C[C@H](CO)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000270317654 385695736 /nfs/dbraw/zinc/69/57/36/385695736.db2.gz VPYYACBMQZZROV-VIFPVBQESA-N 1 2 236.319 1.339 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)CCCO ZINC000281783425 385700709 /nfs/dbraw/zinc/70/07/09/385700709.db2.gz JIDBVTXLTCLZJW-UHFFFAOYSA-N 1 2 211.309 1.278 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)CCCO ZINC000281783425 385700714 /nfs/dbraw/zinc/70/07/14/385700714.db2.gz JIDBVTXLTCLZJW-UHFFFAOYSA-N 1 2 211.309 1.278 20 0 BDADLO Cc1nc(NC2Cc3ccccc3C2)nc(N)[nH+]1 ZINC000310955883 385705033 /nfs/dbraw/zinc/70/50/33/385705033.db2.gz SJMXBKOIKKHOOR-UHFFFAOYSA-N 1 2 241.298 1.342 20 0 BDADLO Cc1nc(N)nc(NC2Cc3ccccc3C2)[nH+]1 ZINC000310955883 385705040 /nfs/dbraw/zinc/70/50/40/385705040.db2.gz SJMXBKOIKKHOOR-UHFFFAOYSA-N 1 2 241.298 1.342 20 0 BDADLO CC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000034988870 385668166 /nfs/dbraw/zinc/66/81/66/385668166.db2.gz UJGAALXGOUWZNL-UHFFFAOYSA-N 1 2 218.300 1.398 20 0 BDADLO CC(C)c1nnc([C@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000270712750 385732444 /nfs/dbraw/zinc/73/24/44/385732444.db2.gz LVXWIFCTBUFNLZ-QMMMGPOBSA-N 1 2 234.307 1.502 20 0 BDADLO C[C@]1(O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000230483007 385737368 /nfs/dbraw/zinc/73/73/68/385737368.db2.gz ZDVGLGBYGHLTGQ-LBPRGKRZSA-N 1 2 217.272 1.524 20 0 BDADLO CC(=O)c1ccc(C(=O)NCCn2cc[nH+]c2)o1 ZINC000445256642 385737991 /nfs/dbraw/zinc/73/79/91/385737991.db2.gz ASNLYOROELTVQQ-UHFFFAOYSA-N 1 2 247.254 1.109 20 0 BDADLO C/C=C/C[C@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000185815525 385739767 /nfs/dbraw/zinc/73/97/67/385739767.db2.gz XXOJQZNXJVSLAB-PGLGOXFNSA-N 1 2 209.293 1.135 20 0 BDADLO CSCC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000282417831 385760834 /nfs/dbraw/zinc/76/08/34/385760834.db2.gz IKQSYFCPONVXGC-UHFFFAOYSA-N 1 2 241.360 1.724 20 0 BDADLO CC(C)n1ccc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000271052943 385777754 /nfs/dbraw/zinc/77/77/54/385777754.db2.gz XXYCFZMLXJXCHC-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)[C@H](NC(=O)c1cnc[nH]1)c1[nH]cc[nH+]1 ZINC000282743620 385782685 /nfs/dbraw/zinc/78/26/85/385782685.db2.gz DWSFSFFWOUASIR-VIFPVBQESA-N 1 2 233.275 1.260 20 0 BDADLO CCC[C@@H](O)CNC(=O)Nc1cc[nH+]cc1C ZINC000271115254 385788047 /nfs/dbraw/zinc/78/80/47/385788047.db2.gz HMTLGBRHHHOZGC-SNVBAGLBSA-N 1 2 237.303 1.673 20 0 BDADLO CN(CC(=O)NC1CC1)c1[nH]c2ccccc2[nH+]1 ZINC000270574325 385718974 /nfs/dbraw/zinc/71/89/74/385718974.db2.gz ODTLVOYSHVNGRP-UHFFFAOYSA-N 1 2 244.298 1.278 20 0 BDADLO CCOc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183879054 385800258 /nfs/dbraw/zinc/80/02/58/385800258.db2.gz GHIUMNIFWSTCNH-UHFFFAOYSA-N 1 2 245.269 1.803 20 0 BDADLO COCc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183880697 385801407 /nfs/dbraw/zinc/80/14/07/385801407.db2.gz LEXCOSAMTCTTHH-UHFFFAOYSA-N 1 2 245.269 1.550 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(O)c2)[C@H](C)C1 ZINC000271195878 385803337 /nfs/dbraw/zinc/80/33/37/385803337.db2.gz RAJBJQUVSJSGMH-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(O)c2)[C@H](C)C1 ZINC000271195878 385803339 /nfs/dbraw/zinc/80/33/39/385803339.db2.gz RAJBJQUVSJSGMH-LLVKDONJSA-N 1 2 248.326 1.445 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCCO1 ZINC000283210631 385811754 /nfs/dbraw/zinc/81/17/54/385811754.db2.gz RPMUCYHSUPWWRP-PLWSPRCSSA-N 1 2 249.314 1.497 20 0 BDADLO c1cn(CCSC2=NCCS2)c[nH+]1 ZINC000159285444 385812059 /nfs/dbraw/zinc/81/20/59/385812059.db2.gz RUQQCQWRICYWMS-UHFFFAOYSA-N 1 2 213.331 1.719 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1CCO ZINC000283153577 385813390 /nfs/dbraw/zinc/81/33/90/385813390.db2.gz ONHJBSLEUIHTLU-PRANIUCASA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC2(CC2)C1 ZINC000283159008 385813587 /nfs/dbraw/zinc/81/35/87/385813587.db2.gz OWWYAJOVMGGLQH-NSCUHMNNSA-N 1 2 231.299 1.826 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1snnc1C ZINC000336657079 385818192 /nfs/dbraw/zinc/81/81/92/385818192.db2.gz ASTBIUKUBOAPIO-UHFFFAOYSA-N 1 2 223.305 1.168 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1snnc1C ZINC000336657079 385818199 /nfs/dbraw/zinc/81/81/99/385818199.db2.gz ASTBIUKUBOAPIO-UHFFFAOYSA-N 1 2 223.305 1.168 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1conc1C1CC1 ZINC000283416583 385818529 /nfs/dbraw/zinc/81/85/29/385818529.db2.gz LYNXISWPWWAQSG-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000337963109 385857370 /nfs/dbraw/zinc/85/73/70/385857370.db2.gz ZXWUWAYDKBJNPR-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000337963109 385857373 /nfs/dbraw/zinc/85/73/73/385857373.db2.gz ZXWUWAYDKBJNPR-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO CCC1(CC)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000294491699 385857592 /nfs/dbraw/zinc/85/75/92/385857592.db2.gz SAGOZURUSCZSIC-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCc2cncnc2C1 ZINC000528373732 385822470 /nfs/dbraw/zinc/82/24/70/385822470.db2.gz RCRGHGTTZZOYEC-XNWCZRBMSA-N 1 2 223.707 1.977 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCc2cncnc2C1 ZINC000528373732 385822473 /nfs/dbraw/zinc/82/24/73/385822473.db2.gz RCRGHGTTZZOYEC-XNWCZRBMSA-N 1 2 223.707 1.977 20 0 BDADLO CCCCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283603778 385823864 /nfs/dbraw/zinc/82/38/64/385823864.db2.gz YNWKUZIJWYMQJF-SNAWJCMRSA-N 1 2 237.303 1.356 20 0 BDADLO CO[C@H]1CCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283619921 385824304 /nfs/dbraw/zinc/82/43/04/385824304.db2.gz AQFRZKPTHYXICF-JIVBQCDMSA-N 1 2 249.314 1.497 20 0 BDADLO CN(CC(F)F)c1[nH+]cnc2c1cnn2C ZINC000337908918 385825762 /nfs/dbraw/zinc/82/57/62/385825762.db2.gz GDJKXXURRBCGLC-UHFFFAOYSA-N 1 2 227.218 1.065 20 0 BDADLO CN(CCc1cnccn1)c1cccc[nH+]1 ZINC000271459051 385831066 /nfs/dbraw/zinc/83/10/66/385831066.db2.gz ZXUKWPFWZXRPMC-UHFFFAOYSA-N 1 2 214.272 1.551 20 0 BDADLO C[C@@]1(F)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413219948 385832297 /nfs/dbraw/zinc/83/22/97/385832297.db2.gz NLEGBFCNLRIFQK-GFCCVEGCSA-N 1 2 236.294 1.989 20 0 BDADLO C[C@@]1(F)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413219948 385832299 /nfs/dbraw/zinc/83/22/99/385832299.db2.gz NLEGBFCNLRIFQK-GFCCVEGCSA-N 1 2 236.294 1.989 20 0 BDADLO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458466 385834021 /nfs/dbraw/zinc/83/40/21/385834021.db2.gz OLZXFFACEUDMHH-WPRPVWTQSA-N 1 2 236.319 1.027 20 0 BDADLO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000451458466 385834024 /nfs/dbraw/zinc/83/40/24/385834024.db2.gz OLZXFFACEUDMHH-WPRPVWTQSA-N 1 2 236.319 1.027 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccccn2)s1 ZINC000271546898 385836868 /nfs/dbraw/zinc/83/68/68/385836868.db2.gz KSYPDELOVGUKKF-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccccn2)s1 ZINC000271546898 385836873 /nfs/dbraw/zinc/83/68/73/385836873.db2.gz KSYPDELOVGUKKF-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1ccnc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000294351571 385838815 /nfs/dbraw/zinc/83/88/15/385838815.db2.gz WUAPCGFQMAHSMQ-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cccnc2)n1 ZINC000283883850 385839575 /nfs/dbraw/zinc/83/95/75/385839575.db2.gz HGBSESINZUYMRU-UHFFFAOYSA-N 1 2 232.287 1.798 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccco1 ZINC000112339147 385840137 /nfs/dbraw/zinc/84/01/37/385840137.db2.gz QZHVNGOPKBMUID-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC=C(F)C1 ZINC000271623158 385841520 /nfs/dbraw/zinc/84/15/20/385841520.db2.gz MONKGQRCDWOVME-QMMMGPOBSA-N 1 2 200.257 1.022 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@H+]1CCC=C(F)C1 ZINC000271623158 385841522 /nfs/dbraw/zinc/84/15/22/385841522.db2.gz MONKGQRCDWOVME-QMMMGPOBSA-N 1 2 200.257 1.022 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC=CCC1 ZINC000271807055 385851741 /nfs/dbraw/zinc/85/17/41/385851741.db2.gz QGZVKYBSHVSKKE-LLVKDONJSA-N 1 2 248.330 1.670 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000284142502 385853202 /nfs/dbraw/zinc/85/32/02/385853202.db2.gz WCCQUIQMEUHLJK-NWALNABHSA-N 1 2 245.286 1.034 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000271110960 385788470 /nfs/dbraw/zinc/78/84/70/385788470.db2.gz DLWIHNMZWGEHTE-QWRGUYRKSA-N 1 2 224.329 1.896 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000271110960 385788473 /nfs/dbraw/zinc/78/84/73/385788473.db2.gz DLWIHNMZWGEHTE-QWRGUYRKSA-N 1 2 224.329 1.896 20 0 BDADLO CC[N@H+](Cc1cnn(C)n1)[C@H](C)c1cccnc1 ZINC000294045554 385792221 /nfs/dbraw/zinc/79/22/21/385792221.db2.gz WRCPJYICGWLGCR-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cnn(C)n1)[C@H](C)c1cccnc1 ZINC000294045554 385792228 /nfs/dbraw/zinc/79/22/28/385792228.db2.gz WRCPJYICGWLGCR-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CCN(CCO)C(=O)Nc1cc[nH+]cc1C ZINC000271147592 385792475 /nfs/dbraw/zinc/79/24/75/385792475.db2.gz RYYIDAGGMXUHDJ-UHFFFAOYSA-N 1 2 223.276 1.236 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccn(C)c1 ZINC000271170753 385796113 /nfs/dbraw/zinc/79/61/13/385796113.db2.gz UTOLMTUAIPDFGC-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccn(C)c1 ZINC000271170753 385796117 /nfs/dbraw/zinc/79/61/17/385796117.db2.gz UTOLMTUAIPDFGC-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO Cc1coc(C)c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736446 385884283 /nfs/dbraw/zinc/88/42/83/385884283.db2.gz WRKPFVSUKBQWII-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO Cc1coc(C)c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736446 385884285 /nfs/dbraw/zinc/88/42/85/385884285.db2.gz WRKPFVSUKBQWII-UHFFFAOYSA-N 1 2 245.282 1.818 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)s1 ZINC000294709438 385885564 /nfs/dbraw/zinc/88/55/64/385885564.db2.gz BUCJWGCQPHIBNY-ZETCQYMHSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CC(=O)N[C@@H](C)C2)s1 ZINC000294709438 385885567 /nfs/dbraw/zinc/88/55/67/385885567.db2.gz BUCJWGCQPHIBNY-ZETCQYMHSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)no1 ZINC000159352241 385887094 /nfs/dbraw/zinc/88/70/94/385887094.db2.gz FAOXQEBTVDTWEL-SCZZXKLOSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)no1 ZINC000159352241 385887095 /nfs/dbraw/zinc/88/70/95/385887095.db2.gz FAOXQEBTVDTWEL-SCZZXKLOSA-N 1 2 225.292 1.113 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3ccncc3)[C@@H]12 ZINC000366638231 385887429 /nfs/dbraw/zinc/88/74/29/385887429.db2.gz DPOKVQHGJNZIAB-NWDGAFQWSA-N 1 2 232.283 1.219 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3ccncc3)[C@@H]12 ZINC000366638231 385887436 /nfs/dbraw/zinc/88/74/36/385887436.db2.gz DPOKVQHGJNZIAB-NWDGAFQWSA-N 1 2 232.283 1.219 20 0 BDADLO C[N@@H+](CCCCO)Cc1c(F)ccc(O)c1F ZINC000294719065 385888016 /nfs/dbraw/zinc/88/80/16/385888016.db2.gz PISZBRMIJMHWGI-UHFFFAOYSA-N 1 2 245.269 1.875 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccncc1C ZINC000294735195 385890056 /nfs/dbraw/zinc/89/00/56/385890056.db2.gz HCDKGLKDNPABQP-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccncc1C ZINC000294735195 385890059 /nfs/dbraw/zinc/89/00/59/385890059.db2.gz HCDKGLKDNPABQP-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(F)F)CCC2 ZINC000365956622 385890809 /nfs/dbraw/zinc/89/08/09/385890809.db2.gz XQWGMBYCYHOPSG-QMMMGPOBSA-N 1 2 243.257 1.450 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1cc(F)ncc1F ZINC000294972531 385930312 /nfs/dbraw/zinc/93/03/12/385930312.db2.gz WXCKFROSUHWFTB-QMMMGPOBSA-N 1 2 230.258 1.827 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1cc(F)ncc1F ZINC000294972531 385930315 /nfs/dbraw/zinc/93/03/15/385930315.db2.gz WXCKFROSUHWFTB-QMMMGPOBSA-N 1 2 230.258 1.827 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000408259184 385893930 /nfs/dbraw/zinc/89/39/30/385893930.db2.gz HUSGPKDFXOYJTR-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000408259184 385893932 /nfs/dbraw/zinc/89/39/32/385893932.db2.gz HUSGPKDFXOYJTR-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CC[C@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000272323222 385894378 /nfs/dbraw/zinc/89/43/78/385894378.db2.gz USRZRCKJQGKZKT-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[C@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000272323222 385894381 /nfs/dbraw/zinc/89/43/81/385894381.db2.gz USRZRCKJQGKZKT-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[N@H+](CCO)Cc1c(F)ccc(O)c1F ZINC000294775049 385894542 /nfs/dbraw/zinc/89/45/42/385894542.db2.gz BEEJEMLVWPNUMR-UHFFFAOYSA-N 1 2 231.242 1.485 20 0 BDADLO CC[N@@H+](CCO)Cc1c(F)ccc(O)c1F ZINC000294775049 385894546 /nfs/dbraw/zinc/89/45/46/385894546.db2.gz BEEJEMLVWPNUMR-UHFFFAOYSA-N 1 2 231.242 1.485 20 0 BDADLO Cc1ccc(F)cc1C[NH+]1CCOCC1 ZINC000272324484 385894723 /nfs/dbraw/zinc/89/47/23/385894723.db2.gz UXZJQCZJTBCUGA-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO c1ccc(CNc2nc[nH+]c3c2OCCN3)cc1 ZINC000647844431 385895274 /nfs/dbraw/zinc/89/52/74/385895274.db2.gz CEFSOXADHHKKHN-UHFFFAOYSA-N 1 2 242.282 1.315 20 0 BDADLO c1ccc(CNc2[nH+]cnc3c2OCCN3)cc1 ZINC000647844431 385895280 /nfs/dbraw/zinc/89/52/80/385895280.db2.gz CEFSOXADHHKKHN-UHFFFAOYSA-N 1 2 242.282 1.315 20 0 BDADLO CC(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285073216 385897133 /nfs/dbraw/zinc/89/71/33/385897133.db2.gz JHSIKKHKNBIJJX-NSHDSACASA-N 1 2 245.330 1.925 20 0 BDADLO CC[C@@H](CO)N(C)c1cc[nH+]c2ccncc21 ZINC000294837875 385902194 /nfs/dbraw/zinc/90/21/94/385902194.db2.gz AWXZFZOQJTUBGU-JTQLQIEISA-N 1 2 231.299 1.837 20 0 BDADLO O=c1c2ccccc2sn1CCn1cc[nH+]c1 ZINC000338155660 385908493 /nfs/dbraw/zinc/90/84/93/385908493.db2.gz JJHODOUDMYSELA-UHFFFAOYSA-N 1 2 245.307 1.960 20 0 BDADLO O[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1F ZINC000308903334 385908769 /nfs/dbraw/zinc/90/87/69/385908769.db2.gz CRZFZLUOCALCHM-GHMZBOCLSA-N 1 2 210.252 1.936 20 0 BDADLO Cc1nc(N[C@@H]2CCS[C@H]2C)nc(N)[nH+]1 ZINC000308919401 385909512 /nfs/dbraw/zinc/90/95/12/385909512.db2.gz IKQLVXNATNEYMY-CAHLUQPWSA-N 1 2 225.321 1.068 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCS[C@H]2C)[nH+]1 ZINC000308919401 385909515 /nfs/dbraw/zinc/90/95/15/385909515.db2.gz IKQLVXNATNEYMY-CAHLUQPWSA-N 1 2 225.321 1.068 20 0 BDADLO COCC[C@H]([NH2+]Cc1ccn(C)n1)c1ccco1 ZINC000272497929 385909555 /nfs/dbraw/zinc/90/95/55/385909555.db2.gz GDWIXRGRZHXQAB-LBPRGKRZSA-N 1 2 249.314 1.881 20 0 BDADLO Cc1nc(CN(C)c2cc[nH+]c(C3CC3)n2)no1 ZINC000272594726 385915544 /nfs/dbraw/zinc/91/55/44/385915544.db2.gz WVVAYDPNZAYRPR-UHFFFAOYSA-N 1 2 245.286 1.682 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cccnc2)n1C ZINC000336742001 385918333 /nfs/dbraw/zinc/91/83/33/385918333.db2.gz RPOHWOVSWMYVNP-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO Cc1c[nH+]c(CNCc2cccnc2)n1C ZINC000336742001 385918339 /nfs/dbraw/zinc/91/83/39/385918339.db2.gz RPOHWOVSWMYVNP-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO COC(=O)C[N@H+](CCc1cscn1)C1CC1 ZINC000294932864 385918400 /nfs/dbraw/zinc/91/84/00/385918400.db2.gz JEAGILCLPBZJOK-UHFFFAOYSA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)C[N@@H+](CCc1cscn1)C1CC1 ZINC000294932864 385918404 /nfs/dbraw/zinc/91/84/04/385918404.db2.gz JEAGILCLPBZJOK-UHFFFAOYSA-N 1 2 240.328 1.323 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342076222 385921561 /nfs/dbraw/zinc/92/15/61/385921561.db2.gz MNYVWOOQAMEJMU-SDDRHHMPSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342076222 385921570 /nfs/dbraw/zinc/92/15/70/385921570.db2.gz MNYVWOOQAMEJMU-SDDRHHMPSA-N 1 2 240.347 1.010 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000285417578 385925597 /nfs/dbraw/zinc/92/55/97/385925597.db2.gz BSQPNEZRGPGHFO-WDEREUQCSA-N 1 2 248.282 1.528 20 0 BDADLO Cc1sccc1C(=O)NCCn1cc[nH+]c1 ZINC000294521145 385861508 /nfs/dbraw/zinc/86/15/08/385861508.db2.gz OXDGZLCCUPPPSU-UHFFFAOYSA-N 1 2 235.312 1.683 20 0 BDADLO CC(=O)c1cc(C(=O)NCc2[nH]cc[nH+]2)cs1 ZINC000340191021 385865865 /nfs/dbraw/zinc/86/58/65/385865865.db2.gz FDURJSNTALYZKS-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO c1coc([C@@H]2C[C@H]2[NH2+]Cc2csnn2)c1 ZINC000414587294 385868519 /nfs/dbraw/zinc/86/85/19/385868519.db2.gz PRIFJIXCWBYAPQ-RKDXNWHRSA-N 1 2 221.285 1.777 20 0 BDADLO COc1nccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000294586947 385871539 /nfs/dbraw/zinc/87/15/39/385871539.db2.gz RCDNMFXACYLJET-NXEZZACHSA-N 1 2 237.303 1.094 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000148540430 385871976 /nfs/dbraw/zinc/87/19/76/385871976.db2.gz VLZVCUMWIJUAKL-IUCAKERBSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@@H](OC)C(=O)NCc1c[nH+]ccc1OC ZINC000294589051 385872443 /nfs/dbraw/zinc/87/24/43/385872443.db2.gz MHNXIPDGNWTOQO-SNVBAGLBSA-N 1 2 238.287 1.131 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284496725 385872581 /nfs/dbraw/zinc/87/25/81/385872581.db2.gz URLXSMYMYXZGFP-HLKOZVMDSA-N 1 2 235.287 1.107 20 0 BDADLO CO[C@H]1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000340191982 385873019 /nfs/dbraw/zinc/87/30/19/385873019.db2.gz KVFNCMDQSTXYMR-UWVGGRQHSA-N 1 2 237.303 1.231 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccncc1C ZINC000294618292 385875515 /nfs/dbraw/zinc/87/55/15/385875515.db2.gz XUIIXKCILMQROP-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccncc1C ZINC000294618292 385875519 /nfs/dbraw/zinc/87/55/19/385875519.db2.gz XUIIXKCILMQROP-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1C ZINC000647735742 385878367 /nfs/dbraw/zinc/87/83/67/385878367.db2.gz JUAXFZLFSWBSRE-UHFFFAOYSA-N 1 2 244.298 1.255 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1C ZINC000647735742 385878371 /nfs/dbraw/zinc/87/83/71/385878371.db2.gz JUAXFZLFSWBSRE-UHFFFAOYSA-N 1 2 244.298 1.255 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000294679131 385881963 /nfs/dbraw/zinc/88/19/63/385881963.db2.gz MUOKTRHTIZWQHR-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000294679131 385881967 /nfs/dbraw/zinc/88/19/67/385881967.db2.gz MUOKTRHTIZWQHR-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000148603418 385977322 /nfs/dbraw/zinc/97/73/22/385977322.db2.gz HJYFWZKZRITVFE-KCJUWKMLSA-N 1 2 209.293 1.375 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H](O)CC2)s1 ZINC000645268440 385994850 /nfs/dbraw/zinc/99/48/50/385994850.db2.gz VXSCQZAKHHXYLU-VIFPVBQESA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H](O)CC2)s1 ZINC000645268440 385994856 /nfs/dbraw/zinc/99/48/56/385994856.db2.gz VXSCQZAKHHXYLU-VIFPVBQESA-N 1 2 241.360 1.447 20 0 BDADLO O=C(CCCC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000643248079 385937195 /nfs/dbraw/zinc/93/71/95/385937195.db2.gz QISOEQLFUNLNNH-LBPRGKRZSA-N 1 2 247.342 1.894 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000636993345 385941398 /nfs/dbraw/zinc/94/13/98/385941398.db2.gz QNCKTJDPODDRFJ-SDDRHHMPSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000636993345 385941402 /nfs/dbraw/zinc/94/14/02/385941402.db2.gz QNCKTJDPODDRFJ-SDDRHHMPSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(F)ccc1C[NH+]1CC(n2ccnn2)C1 ZINC000335045751 385941580 /nfs/dbraw/zinc/94/15/80/385941580.db2.gz GHTAGVJKKXBQFV-UHFFFAOYSA-N 1 2 246.289 1.783 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(C)COC1 ZINC000272882817 385944764 /nfs/dbraw/zinc/94/47/64/385944764.db2.gz HHSPOZDQYIQTHF-UHFFFAOYSA-N 1 2 206.245 1.365 20 0 BDADLO CN(C)c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000285596717 385946039 /nfs/dbraw/zinc/94/60/39/385946039.db2.gz UHHJZIPTVQXYPP-NSHDSACASA-N 1 2 246.314 1.787 20 0 BDADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C)C(C)C ZINC000647743457 385946469 /nfs/dbraw/zinc/94/64/69/385946469.db2.gz RYNPKQDSUDBGSO-NWDGAFQWSA-N 1 2 242.363 1.210 20 0 BDADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C)C(C)C ZINC000647743457 385946477 /nfs/dbraw/zinc/94/64/77/385946477.db2.gz RYNPKQDSUDBGSO-NWDGAFQWSA-N 1 2 242.363 1.210 20 0 BDADLO Nc1[nH+]cnc(N2C[C@@H](F)[C@@H](F)C2)c1Cl ZINC000295026872 385948550 /nfs/dbraw/zinc/94/85/50/385948550.db2.gz RIAUTQBHHXLWEW-SYDPRGILSA-N 1 2 234.637 1.208 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)s1 ZINC000338284624 385948869 /nfs/dbraw/zinc/94/88/69/385948869.db2.gz RUEKHHYOPCVEHE-KHQFGBGNSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)s1 ZINC000338284624 385948873 /nfs/dbraw/zinc/94/88/73/385948873.db2.gz RUEKHHYOPCVEHE-KHQFGBGNSA-N 1 2 241.360 1.610 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)nn1 ZINC000338302529 385953507 /nfs/dbraw/zinc/95/35/07/385953507.db2.gz CGXUYGIGMRJLDJ-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)nn1 ZINC000338302529 385953511 /nfs/dbraw/zinc/95/35/11/385953511.db2.gz CGXUYGIGMRJLDJ-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000096867272 385994005 /nfs/dbraw/zinc/99/40/05/385994005.db2.gz LZQBHCCIXVBEQD-QMMMGPOBSA-N 1 2 239.237 1.966 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000096867272 385994012 /nfs/dbraw/zinc/99/40/12/385994012.db2.gz LZQBHCCIXVBEQD-QMMMGPOBSA-N 1 2 239.237 1.966 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000335015488 385971118 /nfs/dbraw/zinc/97/11/18/385971118.db2.gz GAUFSWVWPZWAOR-STQMWFEESA-N 1 2 235.327 1.775 20 0 BDADLO O=C(C1CC1)[C@@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000335015488 385971121 /nfs/dbraw/zinc/97/11/21/385971121.db2.gz GAUFSWVWPZWAOR-STQMWFEESA-N 1 2 235.327 1.775 20 0 BDADLO O=C1CCN(C[NH2+][C@@H]2COc3ccccc32)CC1 ZINC000273146151 385974085 /nfs/dbraw/zinc/97/40/85/385974085.db2.gz XZKXZQUNSWQYHB-CYBMUJFWSA-N 1 2 246.310 1.332 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000273145959 385975008 /nfs/dbraw/zinc/97/50/08/385975008.db2.gz VNPVVEAFTXSSNE-NSHDSACASA-N 1 2 243.310 1.840 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425419473 385997618 /nfs/dbraw/zinc/99/76/18/385997618.db2.gz NLTGRIXQPHNOCE-SSDOTTSWSA-N 1 2 247.245 1.476 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425419473 385997623 /nfs/dbraw/zinc/99/76/23/385997623.db2.gz NLTGRIXQPHNOCE-SSDOTTSWSA-N 1 2 247.245 1.476 20 0 BDADLO Cc1cc(C[N@H+](C2CC2)C2COC2)ncn1 ZINC000295336775 386013634 /nfs/dbraw/zinc/01/36/34/386013634.db2.gz HTNKLOIORVQGAK-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1cc(C[N@@H+](C2CC2)C2COC2)ncn1 ZINC000295336775 386013643 /nfs/dbraw/zinc/01/36/43/386013643.db2.gz HTNKLOIORVQGAK-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC[C@H](C)O ZINC000647869727 386023641 /nfs/dbraw/zinc/02/36/41/386023641.db2.gz QMUVOFXLWSEJNO-VIFPVBQESA-N 1 2 209.293 1.301 20 0 BDADLO CC[C@@H](C)n1nc(NCc2[nH+]ccn2C)cc1C ZINC000345173274 386040646 /nfs/dbraw/zinc/04/06/46/386040646.db2.gz XLPVVQGMQOWWOZ-SNVBAGLBSA-N 1 2 247.346 1.930 20 0 BDADLO C[C@@H](CF)NC(=O)NCCCCn1cc[nH+]c1 ZINC000644881686 386045673 /nfs/dbraw/zinc/04/56/73/386045673.db2.gz UHFMIGXGHFWXTR-JTQLQIEISA-N 1 2 242.298 1.321 20 0 BDADLO FC(F)C[C@H]1COCCN1CCn1cc[nH+]c1 ZINC000286537453 386048432 /nfs/dbraw/zinc/04/84/32/386048432.db2.gz ROFSEUYWWOTGHS-JTQLQIEISA-N 1 2 245.273 1.239 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC ZINC000425434641 386052690 /nfs/dbraw/zinc/05/26/90/386052690.db2.gz QJRXSPUQXIXGBL-ZMLRMANQSA-N 1 2 243.347 1.589 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1=CCCCC1 ZINC000295890776 386101842 /nfs/dbraw/zinc/10/18/42/386101842.db2.gz WOWVGFRVYKDZCR-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000334455181 386104924 /nfs/dbraw/zinc/10/49/24/386104924.db2.gz FXPCTDVNDQCEGF-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO CCc1nc(N(C)[C@@H]2CCN(C)C2=O)cc(C)[nH+]1 ZINC000287263945 386109817 /nfs/dbraw/zinc/10/98/17/386109817.db2.gz KYBJOIBFNBNFQW-SNVBAGLBSA-N 1 2 248.330 1.014 20 0 BDADLO COC(=O)[C@@H](CC(F)(F)F)[NH2+]CC1CC1 ZINC000336773352 386112697 /nfs/dbraw/zinc/11/26/97/386112697.db2.gz YNSZIKZGNHNRBY-SSDOTTSWSA-N 1 2 225.210 1.480 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)CO ZINC000287396534 386120333 /nfs/dbraw/zinc/12/03/33/386120333.db2.gz DFSWYMUCKGEKIN-QMMMGPOBSA-N 1 2 237.303 1.448 20 0 BDADLO C[NH2+]Cc1noc(C2(CC(C)C)CC2)n1 ZINC000414646827 386059940 /nfs/dbraw/zinc/05/99/40/386059940.db2.gz SLEKWANUZWGCEX-UHFFFAOYSA-N 1 2 209.293 1.867 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2ccn(C)c2)n1 ZINC000414649085 386060349 /nfs/dbraw/zinc/06/03/49/386060349.db2.gz WKFNAMAQRWRRIR-ONEGZZNKSA-N 1 2 218.260 1.298 20 0 BDADLO COC[C@@H](C)[NH+]1CCN([C@@H]2CCSC2)CC1 ZINC000366098223 386062106 /nfs/dbraw/zinc/06/21/06/386062106.db2.gz OEBKKTSIALMJEF-VXGBXAGGSA-N 1 2 244.404 1.144 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)C(C)C)C2 ZINC000365367788 386068034 /nfs/dbraw/zinc/06/80/34/386068034.db2.gz JNIHDZCGDSGPSC-VXGBXAGGSA-N 1 2 249.358 1.915 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCOCC[C@H]1C ZINC000366106742 386079439 /nfs/dbraw/zinc/07/94/39/386079439.db2.gz FIFZUIHFFRHUGG-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCOCC[C@H]1C ZINC000366106742 386079446 /nfs/dbraw/zinc/07/94/46/386079446.db2.gz FIFZUIHFFRHUGG-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC=C(F)C1 ZINC000274167636 386079435 /nfs/dbraw/zinc/07/94/35/386079435.db2.gz VXSFBSJYNHBGTI-UHFFFAOYSA-N 1 2 238.266 1.189 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)CCO ZINC000286977111 386088433 /nfs/dbraw/zinc/08/84/33/386088433.db2.gz BQDCYLACALGAOO-VIFPVBQESA-N 1 2 237.303 1.591 20 0 BDADLO COc1nccc(CNc2c[nH+]ccc2OC)n1 ZINC000295820251 386090487 /nfs/dbraw/zinc/09/04/87/386090487.db2.gz URNQCECAHPRVKR-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C1CC1 ZINC000287060613 386093634 /nfs/dbraw/zinc/09/36/34/386093634.db2.gz HKAMTROGVVHFSC-JTQLQIEISA-N 1 2 235.331 1.824 20 0 BDADLO CO[C@@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000234756541 386095627 /nfs/dbraw/zinc/09/56/27/386095627.db2.gz OAXIVVNDIYDWPD-YFKPBYRVSA-N 1 2 216.672 1.159 20 0 BDADLO CO[C@@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000234756541 386095632 /nfs/dbraw/zinc/09/56/32/386095632.db2.gz OAXIVVNDIYDWPD-YFKPBYRVSA-N 1 2 216.672 1.159 20 0 BDADLO Cc1nc(NCC[C@@H]2CCCCO2)nc(N)[nH+]1 ZINC000310173667 386153649 /nfs/dbraw/zinc/15/36/49/386153649.db2.gz QHUBAFILBSKRIH-VIFPVBQESA-N 1 2 237.307 1.133 20 0 BDADLO Cc1nc(N)nc(NCC[C@@H]2CCCCO2)[nH+]1 ZINC000310173667 386153654 /nfs/dbraw/zinc/15/36/54/386153654.db2.gz QHUBAFILBSKRIH-VIFPVBQESA-N 1 2 237.307 1.133 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC12CCC2 ZINC000335281063 386154448 /nfs/dbraw/zinc/15/44/48/386154448.db2.gz VNZVLWUMPBETOQ-UHFFFAOYSA-N 1 2 219.288 1.428 20 0 BDADLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275195585 386190149 /nfs/dbraw/zinc/19/01/49/386190149.db2.gz PRWDHKGBCYJJAD-JTQLQIEISA-N 1 2 248.334 1.508 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000440800851 386159072 /nfs/dbraw/zinc/15/90/72/386159072.db2.gz XHHLGFSAJLRECS-DCAQKATOSA-N 1 2 228.311 1.478 20 0 BDADLO CC[C@H](F)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000440800851 386159076 /nfs/dbraw/zinc/15/90/76/386159076.db2.gz XHHLGFSAJLRECS-DCAQKATOSA-N 1 2 228.311 1.478 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC12CC2 ZINC000643303653 386177467 /nfs/dbraw/zinc/17/74/67/386177467.db2.gz SWGWUKKHKVZWPJ-QMMMGPOBSA-N 1 2 218.256 1.829 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](CC)C2)cn1 ZINC000414373020 386179706 /nfs/dbraw/zinc/17/97/06/386179706.db2.gz QYPZFNCQVOXTIL-LBPRGKRZSA-N 1 2 235.331 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](CC)C2)cn1 ZINC000414373020 386179710 /nfs/dbraw/zinc/17/97/10/386179710.db2.gz QYPZFNCQVOXTIL-LBPRGKRZSA-N 1 2 235.331 1.650 20 0 BDADLO O=C(CC1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000263843309 386183736 /nfs/dbraw/zinc/18/37/36/386183736.db2.gz WSCWDNLCRCPSRW-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO Cc1ccc(OCC[N@@H+](C)Cc2cnn[nH]2)cc1 ZINC000296564074 386183909 /nfs/dbraw/zinc/18/39/09/386183909.db2.gz PVELBHWKTJCBBZ-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1ccc(OCC[N@H+](C)Cc2cnn[nH]2)cc1 ZINC000296564074 386183913 /nfs/dbraw/zinc/18/39/13/386183913.db2.gz PVELBHWKTJCBBZ-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1ccc(OCC[N@@H+](C)Cc2c[nH]nn2)cc1 ZINC000296564074 386183917 /nfs/dbraw/zinc/18/39/17/386183917.db2.gz PVELBHWKTJCBBZ-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1ccc(OCC[N@H+](C)Cc2c[nH]nn2)cc1 ZINC000296564074 386183919 /nfs/dbraw/zinc/18/39/19/386183919.db2.gz PVELBHWKTJCBBZ-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(=O)OC ZINC000338952112 386184084 /nfs/dbraw/zinc/18/40/84/386184084.db2.gz NSOILDVXIQFZDH-TUAOUCFPSA-N 1 2 241.331 1.343 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000288363810 386191227 /nfs/dbraw/zinc/19/12/27/386191227.db2.gz DEIFIAGIAUFFJE-JTQLQIEISA-N 1 2 249.293 1.169 20 0 BDADLO Cc1ccncc1C[N@H+](C1CC1)C1COC1 ZINC000296029786 386124544 /nfs/dbraw/zinc/12/45/44/386124544.db2.gz NEQSQXPRHMQKLZ-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccncc1C[N@@H+](C1CC1)C1COC1 ZINC000296029786 386124557 /nfs/dbraw/zinc/12/45/57/386124557.db2.gz NEQSQXPRHMQKLZ-UHFFFAOYSA-N 1 2 218.300 1.753 20 0 BDADLO CO[C@H]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000287517566 386130118 /nfs/dbraw/zinc/13/01/18/386130118.db2.gz MORIOJMEFQLPBA-NSHDSACASA-N 1 2 249.314 1.951 20 0 BDADLO CC(C)Cc1nsc(-n2cc[nH+]c2)n1 ZINC000274630104 386132622 /nfs/dbraw/zinc/13/26/22/386132622.db2.gz XTMCULPPDZYBHK-UHFFFAOYSA-N 1 2 208.290 1.922 20 0 BDADLO CC(C)[C@H]1C[N@H+](CC(F)F)CCCO1 ZINC000645276115 386204012 /nfs/dbraw/zinc/20/40/12/386204012.db2.gz QBKJYYXZCYWQRP-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)[C@H]1C[N@@H+](CC(F)F)CCCO1 ZINC000645276115 386204016 /nfs/dbraw/zinc/20/40/16/386204016.db2.gz QBKJYYXZCYWQRP-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO Fc1ccc2c(c1)C[C@H]([NH2+]Cc1ccn[nH]1)CO2 ZINC000288484093 386206587 /nfs/dbraw/zinc/20/65/87/386206587.db2.gz GRDDVWCTMIXKLD-LBPRGKRZSA-N 1 2 247.273 1.642 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000264658457 386259687 /nfs/dbraw/zinc/25/96/87/386259687.db2.gz KOXCRGLZQGZQPM-LLVKDONJSA-N 1 2 223.320 1.778 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CF)CC1 ZINC000296910508 386210551 /nfs/dbraw/zinc/21/05/51/386210551.db2.gz MKYOODUQICWCPH-OWOJBTEDSA-N 1 2 237.278 1.631 20 0 BDADLO COC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000055278691 386213168 /nfs/dbraw/zinc/21/31/68/386213168.db2.gz WJIILWTYYIAMLX-SECBINFHSA-N 1 2 205.257 1.564 20 0 BDADLO Cc1ccncc1NC(=O)CCn1cc[nH+]c1 ZINC000264225716 386217640 /nfs/dbraw/zinc/21/76/40/386217640.db2.gz LGGRIOJZMJGVIX-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO C[C@H]1C[N@H+](CCOC2CCC2)CC[S@@]1=O ZINC000347038263 386226224 /nfs/dbraw/zinc/22/62/24/386226224.db2.gz UWKRFDQELVRIPJ-BONVTDFDSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@H]1C[N@@H+](CCOC2CCC2)CC[S@@]1=O ZINC000347038263 386226226 /nfs/dbraw/zinc/22/62/26/386226226.db2.gz UWKRFDQELVRIPJ-BONVTDFDSA-N 1 2 231.361 1.008 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@@H](C)Cn2cccn2)o1 ZINC000264402484 386233652 /nfs/dbraw/zinc/23/36/52/386233652.db2.gz WAYCULMHIDWVBF-JTQLQIEISA-N 1 2 249.318 1.568 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CCSCC1 ZINC000275741089 386234865 /nfs/dbraw/zinc/23/48/65/386234865.db2.gz RAZYVLRITDQBCV-UHFFFAOYSA-N 1 2 231.752 1.622 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1cc(COC)on1 ZINC000297309099 386241001 /nfs/dbraw/zinc/24/10/01/386241001.db2.gz BTZLVGQADVHFGV-JTQLQIEISA-N 1 2 210.277 1.805 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1cc(COC)on1 ZINC000297309099 386241007 /nfs/dbraw/zinc/24/10/07/386241007.db2.gz BTZLVGQADVHFGV-JTQLQIEISA-N 1 2 210.277 1.805 20 0 BDADLO CC/C=C/CNC(=O)NCCCn1cc[nH+]c1 ZINC000297308384 386241836 /nfs/dbraw/zinc/24/18/36/386241836.db2.gz FTYASIIPDHAQAO-ONEGZZNKSA-N 1 2 236.319 1.539 20 0 BDADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ncn(C)n1 ZINC000275837678 386244079 /nfs/dbraw/zinc/24/40/79/386244079.db2.gz PFHXTKLVPUUIPS-MRVPVSSYSA-N 1 2 244.302 1.656 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000408362071 386245360 /nfs/dbraw/zinc/24/53/60/386245360.db2.gz LKOAJAPWKOPOAN-CHWSQXEVSA-N 1 2 243.310 1.623 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)OC)c1[nH]cc[nH+]1 ZINC000125325938 386247123 /nfs/dbraw/zinc/24/71/23/386247123.db2.gz NAZGWJMAYNRYCR-JGVFFNPUSA-N 1 2 211.265 1.012 20 0 BDADLO CC[C@H](NC(=O)CCOC)c1[nH]cc[nH+]1 ZINC000125334209 386247190 /nfs/dbraw/zinc/24/71/90/386247190.db2.gz OUUYVIHIJQNVPC-QMMMGPOBSA-N 1 2 211.265 1.014 20 0 BDADLO CC[C@H](NC(=O)CC1CC1)c1[nH]cc[nH+]1 ZINC000125331292 386248026 /nfs/dbraw/zinc/24/80/26/386248026.db2.gz NDFYJVQYMZZXKH-VIFPVBQESA-N 1 2 207.277 1.777 20 0 BDADLO CC[C@H](NC(=O)C1CCC1)c1[nH]cc[nH+]1 ZINC000125344384 386250366 /nfs/dbraw/zinc/25/03/66/386250366.db2.gz JXLDLGMAIVOHPJ-VIFPVBQESA-N 1 2 207.277 1.777 20 0 BDADLO C[C@@H](CO)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275907450 386252892 /nfs/dbraw/zinc/25/28/92/386252892.db2.gz WLOFNCVXRSATDP-PWSUYJOCSA-N 1 2 246.314 1.112 20 0 BDADLO COc1ncncc1C[N@H+](C)C[C@H]1CCCO1 ZINC000648001074 386196721 /nfs/dbraw/zinc/19/67/21/386196721.db2.gz UVLGYSKDFCQFGY-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000648001074 386196725 /nfs/dbraw/zinc/19/67/25/386196725.db2.gz UVLGYSKDFCQFGY-LLVKDONJSA-N 1 2 237.303 1.096 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](CO)C2)cs1 ZINC000336664016 386285472 /nfs/dbraw/zinc/28/54/72/386285472.db2.gz DORXFAADNVZKCH-SECBINFHSA-N 1 2 242.344 1.104 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](CO)C2)cs1 ZINC000336664016 386285477 /nfs/dbraw/zinc/28/54/77/386285477.db2.gz DORXFAADNVZKCH-SECBINFHSA-N 1 2 242.344 1.104 20 0 BDADLO CCC(CC)[C@@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264934467 386286042 /nfs/dbraw/zinc/28/60/42/386286042.db2.gz OOMDNSCNPAXAIX-NSHDSACASA-N 1 2 239.319 1.245 20 0 BDADLO CC(C)[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264987210 386291504 /nfs/dbraw/zinc/29/15/04/386291504.db2.gz JJNOAPARAAUWEN-VIFPVBQESA-N 1 2 209.293 1.328 20 0 BDADLO CC/C=C/CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000298088782 386297911 /nfs/dbraw/zinc/29/79/11/386297911.db2.gz LIWIIOLLKZHMJY-AATRIKPKSA-N 1 2 236.319 1.528 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)nc1C ZINC000298097104 386298711 /nfs/dbraw/zinc/29/87/11/386298711.db2.gz KVVRZLNWEDKXES-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1occc1C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000335265527 386300740 /nfs/dbraw/zinc/30/07/40/386300740.db2.gz QFQAHPDVHFSWLE-UWVGGRQHSA-N 1 2 241.356 1.929 20 0 BDADLO C[C@H]1C(=O)N(C)CN1c1cc[nH+]cc1Cl ZINC000645395715 386305189 /nfs/dbraw/zinc/30/51/89/386305189.db2.gz UCVDOPGOFPIWSV-ZETCQYMHSA-N 1 2 225.679 1.359 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335266860 386305201 /nfs/dbraw/zinc/30/52/01/386305201.db2.gz YBEHMMQJBRHXGL-QLJPJBMISA-N 1 2 241.356 1.788 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000335266860 386305206 /nfs/dbraw/zinc/30/52/06/386305206.db2.gz YBEHMMQJBRHXGL-QLJPJBMISA-N 1 2 241.356 1.788 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCC1CC1 ZINC000265225587 386317908 /nfs/dbraw/zinc/31/79/08/386317908.db2.gz NRQFGENHHAYICQ-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO CCc1ncc(C[N@H+](CC)CC(N)=O)s1 ZINC000276418595 386319293 /nfs/dbraw/zinc/31/92/93/386319293.db2.gz GBNSJHUGWFPFPB-UHFFFAOYSA-N 1 2 227.333 1.013 20 0 BDADLO CCc1ncc(C[N@@H+](CC)CC(N)=O)s1 ZINC000276418595 386319299 /nfs/dbraw/zinc/31/92/99/386319299.db2.gz GBNSJHUGWFPFPB-UHFFFAOYSA-N 1 2 227.333 1.013 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289509741 386319945 /nfs/dbraw/zinc/31/99/45/386319945.db2.gz UOWULKZARJJLHH-CQSZACIVSA-N 1 2 245.326 1.931 20 0 BDADLO CCCCc1noc(C[N@H+](C)C[C@H](C)OC)n1 ZINC000336679362 386320356 /nfs/dbraw/zinc/32/03/56/386320356.db2.gz ARJQFXDOOLUNQH-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO CCCCc1noc(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000336679362 386320359 /nfs/dbraw/zinc/32/03/59/386320359.db2.gz ARJQFXDOOLUNQH-JTQLQIEISA-N 1 2 241.335 1.879 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(C)(C)C1CC1 ZINC000289105337 386262086 /nfs/dbraw/zinc/26/20/86/386262086.db2.gz NAIWGEUUDVITRO-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO CCCc1cccc(C[NH+]2CC(O)(COC)C2)c1 ZINC000297514301 386262305 /nfs/dbraw/zinc/26/23/05/386262305.db2.gz MPESBBQHVNYYKJ-UHFFFAOYSA-N 1 2 249.354 1.832 20 0 BDADLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccncc2)C1 ZINC000297538235 386264642 /nfs/dbraw/zinc/26/46/42/386264642.db2.gz YHAXAPBBAHJDTF-UHFFFAOYSA-N 1 2 248.326 1.855 20 0 BDADLO Cc1n[nH]cc1Nc1[nH+]cnc2[nH]ccc21 ZINC000339136219 386266603 /nfs/dbraw/zinc/26/66/03/386266603.db2.gz ZXMREQIDGLAOLJ-UHFFFAOYSA-N 1 2 214.232 1.733 20 0 BDADLO Cc1[nH]ncc1C[N@H+](CCO)C1CCC1 ZINC000276102386 386273530 /nfs/dbraw/zinc/27/35/30/386273530.db2.gz WQIJWFMCAYSDII-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](CCO)C1CCC1 ZINC000276102386 386273533 /nfs/dbraw/zinc/27/35/33/386273533.db2.gz WQIJWFMCAYSDII-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289268778 386277926 /nfs/dbraw/zinc/27/79/26/386277926.db2.gz DWMSRANFJZZFAK-CHWSQXEVSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289268778 386277932 /nfs/dbraw/zinc/27/79/32/386277932.db2.gz DWMSRANFJZZFAK-CHWSQXEVSA-N 1 2 246.310 1.577 20 0 BDADLO CC[C@@H](N[C@H]1CCn2cc[nH+]c21)C(F)F ZINC000453252784 386278197 /nfs/dbraw/zinc/27/81/97/386278197.db2.gz VRRZKOMZEDMHJZ-SFYZADRCSA-N 1 2 215.247 1.961 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCC(F)(F)F ZINC000339177891 386278857 /nfs/dbraw/zinc/27/88/57/386278857.db2.gz ZHSAPMHXPOGCDA-UHFFFAOYSA-N 1 2 249.236 1.421 20 0 BDADLO CC[C@H](CO)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000297775007 386278860 /nfs/dbraw/zinc/27/88/60/386278860.db2.gz NGOLLXOIOUKBQD-LLVKDONJSA-N 1 2 237.303 1.625 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000339278715 386339793 /nfs/dbraw/zinc/33/97/93/386339793.db2.gz AUPWQRBXTCCEFK-LLVKDONJSA-N 1 2 224.308 1.080 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn(C(C)C)nn1 ZINC000339278715 386339797 /nfs/dbraw/zinc/33/97/97/386339797.db2.gz AUPWQRBXTCCEFK-LLVKDONJSA-N 1 2 224.308 1.080 20 0 BDADLO O=C(c1ccncc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335278000 386344105 /nfs/dbraw/zinc/34/41/05/386344105.db2.gz KPCKVJLETSUWOQ-NSHDSACASA-N 1 2 242.282 1.782 20 0 BDADLO CN(CC(F)(F)F)C(=O)CCc1c[nH+]cn1C ZINC000276567302 386346243 /nfs/dbraw/zinc/34/62/43/386346243.db2.gz MMHMNRCPFQNGDM-UHFFFAOYSA-N 1 2 249.236 1.373 20 0 BDADLO CC(C)[C@H](NC(=O)[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000276583202 386349436 /nfs/dbraw/zinc/34/94/36/386349436.db2.gz JORPFGIQUKIYNW-UWVGGRQHSA-N 1 2 237.303 1.402 20 0 BDADLO CC(C)[C@@H](NC(=O)[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000276583200 386350066 /nfs/dbraw/zinc/35/00/66/386350066.db2.gz JORPFGIQUKIYNW-NXEZZACHSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000334493103 386350209 /nfs/dbraw/zinc/35/02/09/386350209.db2.gz CUSDSSFAUCZUGB-PWSUYJOCSA-N 1 2 231.299 1.828 20 0 BDADLO CC(C)=CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276598676 386352655 /nfs/dbraw/zinc/35/26/55/386352655.db2.gz HTBHZSNUCOHUEX-NSHDSACASA-N 1 2 236.319 1.537 20 0 BDADLO CC(C)=CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298496087 386352954 /nfs/dbraw/zinc/35/29/54/386352954.db2.gz APKMDQGESANPFN-SNVBAGLBSA-N 1 2 236.319 1.647 20 0 BDADLO CC(C)=CCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298496087 386352962 /nfs/dbraw/zinc/35/29/62/386352962.db2.gz APKMDQGESANPFN-SNVBAGLBSA-N 1 2 236.319 1.647 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(F)cn1 ZINC000276613857 386354689 /nfs/dbraw/zinc/35/46/89/386354689.db2.gz SXVBOYYUZIXCJD-UHFFFAOYSA-N 1 2 248.261 1.526 20 0 BDADLO CCO[C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276629741 386356798 /nfs/dbraw/zinc/35/67/98/386356798.db2.gz PGCRKMQKCFSAKX-UWVGGRQHSA-N 1 2 239.319 1.648 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1CO ZINC000276632296 386357515 /nfs/dbraw/zinc/35/75/15/386357515.db2.gz SYOODSGDGMEAEX-SXGMEYSMSA-N 1 2 249.314 1.090 20 0 BDADLO COc1coc(C[N@@H+]2CC[C@@](C)(F)C2)cc1=O ZINC000347364440 386366268 /nfs/dbraw/zinc/36/62/68/386366268.db2.gz YBBFJGREHUSRES-GFCCVEGCSA-N 1 2 241.262 1.582 20 0 BDADLO COc1coc(C[N@H+]2CC[C@@](C)(F)C2)cc1=O ZINC000347364440 386366271 /nfs/dbraw/zinc/36/62/71/386366271.db2.gz YBBFJGREHUSRES-GFCCVEGCSA-N 1 2 241.262 1.582 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347370427 386367890 /nfs/dbraw/zinc/36/78/90/386367890.db2.gz MHFOITSLBPHDPT-CMPLNLGQSA-N 1 2 247.310 1.125 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347370427 386367895 /nfs/dbraw/zinc/36/78/95/386367895.db2.gz MHFOITSLBPHDPT-CMPLNLGQSA-N 1 2 247.310 1.125 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H](O)c1ccccc1 ZINC000265817177 386372612 /nfs/dbraw/zinc/37/26/12/386372612.db2.gz RFFGGDUAUASRFR-ZDUSSCGKSA-N 1 2 232.283 1.840 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H](O)c1ccccc1 ZINC000265817177 386372615 /nfs/dbraw/zinc/37/26/15/386372615.db2.gz RFFGGDUAUASRFR-ZDUSSCGKSA-N 1 2 232.283 1.840 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347381030 386373129 /nfs/dbraw/zinc/37/31/29/386373129.db2.gz NJYXYYJGQXTZOC-ONGXEEELSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347381030 386373132 /nfs/dbraw/zinc/37/31/32/386373132.db2.gz NJYXYYJGQXTZOC-ONGXEEELSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C2CC2)O1 ZINC000334495220 386374413 /nfs/dbraw/zinc/37/44/13/386374413.db2.gz GCEXHMUYVAAJJY-PWSUYJOCSA-N 1 2 235.331 1.419 20 0 BDADLO COC(=O)CCC[N@H+](C)Cc1ccon1 ZINC000265838988 386375749 /nfs/dbraw/zinc/37/57/49/386375749.db2.gz WEXIKIDDFVDRGM-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO COC(=O)CCC[N@@H+](C)Cc1ccon1 ZINC000265838988 386375755 /nfs/dbraw/zinc/37/57/55/386375755.db2.gz WEXIKIDDFVDRGM-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO Cc1nnc(C[NH+]2[C@@H](C)C[C@@H]2C)n1C1CC1 ZINC000334495335 386376897 /nfs/dbraw/zinc/37/68/97/386376897.db2.gz HNIJSWVXMAVMCO-IUCAKERBSA-N 1 2 220.320 1.904 20 0 BDADLO CN(Cc1noc(C2CC2)n1)Cc1[nH]cc[nH+]1 ZINC000336696910 386377396 /nfs/dbraw/zinc/37/73/96/386377396.db2.gz JVMKYKNQRTVYNR-UHFFFAOYSA-N 1 2 233.275 1.302 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000336696923 386377551 /nfs/dbraw/zinc/37/75/51/386377551.db2.gz JWUROJOMMLUDFM-SNVBAGLBSA-N 1 2 239.319 1.489 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000336696923 386377556 /nfs/dbraw/zinc/37/75/56/386377556.db2.gz JWUROJOMMLUDFM-SNVBAGLBSA-N 1 2 239.319 1.489 20 0 BDADLO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC(N)=O ZINC000347392992 386380276 /nfs/dbraw/zinc/38/02/76/386380276.db2.gz LTCKQMNSGNBJPB-NSHDSACASA-N 1 2 242.269 1.833 20 0 BDADLO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(N)=O ZINC000347392992 386380277 /nfs/dbraw/zinc/38/02/77/386380277.db2.gz LTCKQMNSGNBJPB-NSHDSACASA-N 1 2 242.269 1.833 20 0 BDADLO C[N@H+](Cc1ccon1)[C@@H](CO)c1ccccc1 ZINC000265910499 386385080 /nfs/dbraw/zinc/38/50/80/386385080.db2.gz KGXBHDUVWVOFMP-ZDUSSCGKSA-N 1 2 232.283 1.840 20 0 BDADLO C[N@@H+](Cc1ccon1)[C@@H](CO)c1ccccc1 ZINC000265910499 386385084 /nfs/dbraw/zinc/38/50/84/386385084.db2.gz KGXBHDUVWVOFMP-ZDUSSCGKSA-N 1 2 232.283 1.840 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2CCCCO)o1 ZINC000265321152 386328176 /nfs/dbraw/zinc/32/81/76/386328176.db2.gz SNNQIJYLOFPSDN-GFCCVEGCSA-N 1 2 239.315 1.734 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2CCCCO)o1 ZINC000265321152 386328181 /nfs/dbraw/zinc/32/81/81/386328181.db2.gz SNNQIJYLOFPSDN-GFCCVEGCSA-N 1 2 239.315 1.734 20 0 BDADLO CC(C)[C@H](NC(=O)C1=COCCC1)c1[nH]cc[nH+]1 ZINC000276481835 386330832 /nfs/dbraw/zinc/33/08/32/386330832.db2.gz DZSMSUCNPMQMMN-NSHDSACASA-N 1 2 249.314 1.917 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000336773954 386331841 /nfs/dbraw/zinc/33/18/41/386331841.db2.gz WNJLMXGLAIYBFQ-INTQDDNPSA-N 1 2 227.304 1.095 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CCCC1 ZINC000276486452 386332176 /nfs/dbraw/zinc/33/21/76/386332176.db2.gz FTJWUGSNPPMCAI-UHFFFAOYSA-N 1 2 221.304 1.412 20 0 BDADLO CC(C)c1noc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000647933229 386334997 /nfs/dbraw/zinc/33/49/97/386334997.db2.gz GUYYNMLOCCGFHC-UHFFFAOYSA-N 1 2 247.302 1.474 20 0 BDADLO Cc1cnc(C[N@H+](C)CCc2nccs2)nc1 ZINC000336681483 386337330 /nfs/dbraw/zinc/33/73/30/386337330.db2.gz CUZVIHHHHSFTEU-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCc2nccs2)nc1 ZINC000336681483 386337333 /nfs/dbraw/zinc/33/73/33/386337333.db2.gz CUZVIHHHHSFTEU-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO C[N@@H+](Cc1cnns1)C[C@H]1CCCCO1 ZINC000336681147 386338267 /nfs/dbraw/zinc/33/82/67/386338267.db2.gz IZRFEHSWKPAHDY-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO C[N@H+](Cc1cnns1)C[C@H]1CCCCO1 ZINC000336681147 386338268 /nfs/dbraw/zinc/33/82/68/386338268.db2.gz IZRFEHSWKPAHDY-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000276520687 386339072 /nfs/dbraw/zinc/33/90/72/386339072.db2.gz CPMKNRCYCKZWKT-TXEJJXNPSA-N 1 2 247.342 1.611 20 0 BDADLO CC[N@H+](CCOC)Cc1ncnn1C(C)C ZINC000347341459 386338988 /nfs/dbraw/zinc/33/89/88/386338988.db2.gz OSVMZJPEWCFWPB-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncnn1C(C)C ZINC000347341459 386338993 /nfs/dbraw/zinc/33/89/93/386338993.db2.gz OSVMZJPEWCFWPB-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO C[NH+](C)Cc1nc(Cc2ccccn2)no1 ZINC000277463248 386437060 /nfs/dbraw/zinc/43/70/60/386437060.db2.gz IABQFGIFIREYFF-UHFFFAOYSA-N 1 2 218.260 1.117 20 0 BDADLO CO[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000266445179 386437564 /nfs/dbraw/zinc/43/75/64/386437564.db2.gz BIIQZAYBQPWOPM-GXSJLCMTSA-N 1 2 237.303 1.406 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2CC[C@H](C)O)o1 ZINC000336712036 386437972 /nfs/dbraw/zinc/43/79/72/386437972.db2.gz NHQFYQVZXGKBDH-CMPLNLGQSA-N 1 2 239.315 1.732 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2CC[C@H](C)O)o1 ZINC000336712036 386437974 /nfs/dbraw/zinc/43/79/74/386437974.db2.gz NHQFYQVZXGKBDH-CMPLNLGQSA-N 1 2 239.315 1.732 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccc(O)cc2)n1 ZINC000290514959 386446067 /nfs/dbraw/zinc/44/60/67/386446067.db2.gz PUFUQORUUJEHNH-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccc(O)cc2)n1 ZINC000290514959 386446073 /nfs/dbraw/zinc/44/60/73/386446073.db2.gz PUFUQORUUJEHNH-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000347542944 386447206 /nfs/dbraw/zinc/44/72/06/386447206.db2.gz XDJWTZRCNXIQSY-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000347542944 386447215 /nfs/dbraw/zinc/44/72/15/386447215.db2.gz XDJWTZRCNXIQSY-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO Cn1cc(C[N@H+](Cc2ccccc2)C2CC2)nn1 ZINC000336722094 386447939 /nfs/dbraw/zinc/44/79/39/386447939.db2.gz VLXJZDZLIWBPEH-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1cc(C[N@@H+](Cc2ccccc2)C2CC2)nn1 ZINC000336722094 386447945 /nfs/dbraw/zinc/44/79/45/386447945.db2.gz VLXJZDZLIWBPEH-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000290530836 386450625 /nfs/dbraw/zinc/45/06/25/386450625.db2.gz QPXUZNZDJQORTC-PWSUYJOCSA-N 1 2 241.356 1.720 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccsc1 ZINC000290530836 386450632 /nfs/dbraw/zinc/45/06/32/386450632.db2.gz QPXUZNZDJQORTC-PWSUYJOCSA-N 1 2 241.356 1.720 20 0 BDADLO CN(C)c1ncc(C[NH2+]CC(F)F)s1 ZINC000290134701 386399350 /nfs/dbraw/zinc/39/93/50/386399350.db2.gz QGRWZINDZJNDEZ-UHFFFAOYSA-N 1 2 221.276 1.564 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@@H]1C1CC1 ZINC000347450765 386408955 /nfs/dbraw/zinc/40/89/55/386408955.db2.gz JUTNATZJVCPICH-IJLUTSLNSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC1(C)C ZINC000299083232 386409256 /nfs/dbraw/zinc/40/92/56/386409256.db2.gz RJVGMZANEUWXSI-VHSXEESVSA-N 1 2 236.319 1.369 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncc(OC)c2)CCO1 ZINC000290275887 386414703 /nfs/dbraw/zinc/41/47/03/386414703.db2.gz LXBKYCNAGPBDHY-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncc(OC)c2)CCO1 ZINC000290275887 386414711 /nfs/dbraw/zinc/41/47/11/386414711.db2.gz LXBKYCNAGPBDHY-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nnc(C)n2C)C1 ZINC000347467116 386415923 /nfs/dbraw/zinc/41/59/23/386415923.db2.gz QRFFCARSTJSQFN-UHFFFAOYSA-N 1 2 238.335 1.123 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nnc(C)n2C)C1 ZINC000347467116 386415932 /nfs/dbraw/zinc/41/59/32/386415932.db2.gz QRFFCARSTJSQFN-UHFFFAOYSA-N 1 2 238.335 1.123 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H]2C(F)F)cc[nH+]1 ZINC000647991863 386419050 /nfs/dbraw/zinc/41/90/50/386419050.db2.gz WDTYFIHLFJTIOH-SECBINFHSA-N 1 2 241.241 1.683 20 0 BDADLO CC(C)CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334498728 386420358 /nfs/dbraw/zinc/42/03/58/386420358.db2.gz NPBAJEMMSIAOGA-ZJUUUORDSA-N 1 2 236.319 1.844 20 0 BDADLO CC(C)c1nc(CN2CCc3[nH+]c[nH]c3C2)no1 ZINC000647933970 386424351 /nfs/dbraw/zinc/42/43/51/386424351.db2.gz SDHKHHYNNSOSJX-UHFFFAOYSA-N 1 2 247.302 1.474 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccco2)nn1C ZINC000336710481 386426707 /nfs/dbraw/zinc/42/67/07/386426707.db2.gz ZDXOGUQCJJXMTO-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccco2)nn1C ZINC000336710481 386426712 /nfs/dbraw/zinc/42/67/12/386426712.db2.gz ZDXOGUQCJJXMTO-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000164917135 386427388 /nfs/dbraw/zinc/42/73/88/386427388.db2.gz QABRXOZDCVSYGZ-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000266342914 386429083 /nfs/dbraw/zinc/42/90/83/386429083.db2.gz IMPBAGUCIPNYIY-RKDXNWHRSA-N 1 2 236.319 1.500 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000336712279 386435836 /nfs/dbraw/zinc/43/58/36/386435836.db2.gz RRMMOIVYXBUJNU-PSASIEDQSA-N 1 2 237.303 1.729 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000336712279 386435843 /nfs/dbraw/zinc/43/58/43/386435843.db2.gz RRMMOIVYXBUJNU-PSASIEDQSA-N 1 2 237.303 1.729 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000336327650 386469113 /nfs/dbraw/zinc/46/91/13/386469113.db2.gz WYAAEUDGIYZFRA-WDEREUQCSA-N 1 2 247.342 1.782 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]CC(=O)OC)C1(CC)CC ZINC000191073578 386474494 /nfs/dbraw/zinc/47/44/94/386474494.db2.gz UKGPKNNFIUNQQM-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339560522 386474844 /nfs/dbraw/zinc/47/48/44/386474844.db2.gz CIMKFYVURWZAIG-HRDYMLBCSA-N 1 2 225.292 1.617 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339560522 386474847 /nfs/dbraw/zinc/47/48/47/386474847.db2.gz CIMKFYVURWZAIG-HRDYMLBCSA-N 1 2 225.292 1.617 20 0 BDADLO COc1ncccc1NC(=O)CCn1cc[nH+]c1 ZINC000299650320 386477982 /nfs/dbraw/zinc/47/79/82/386477982.db2.gz KOAIWBWKJDPSRT-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO COC[C@@H](CCO)Nc1cc[nH+]c2ccncc12 ZINC000290849995 386480168 /nfs/dbraw/zinc/48/01/68/386480168.db2.gz XFSLJNCSYYGXHK-SNVBAGLBSA-N 1 2 247.298 1.439 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290863463 386480499 /nfs/dbraw/zinc/48/04/99/386480499.db2.gz BSXOXUHQLDBWEL-VXGBXAGGSA-N 1 2 233.315 1.517 20 0 BDADLO C[C@H]1C[C@@H]([NH+]=c2[nH]c3c(cccc3F)n2C)CO1 ZINC000335430075 386486918 /nfs/dbraw/zinc/48/69/18/386486918.db2.gz SYNJZRWGXJYCIO-DTWKUNHWSA-N 1 2 249.289 1.724 20 0 BDADLO C[C@H](CNC(=O)CC1CC1)Cn1cc[nH+]c1 ZINC000267082161 386491108 /nfs/dbraw/zinc/49/11/08/386491108.db2.gz JHOSGPBQKWKTLS-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@@H]1C(F)(F)F ZINC000647935643 386494162 /nfs/dbraw/zinc/49/41/62/386494162.db2.gz MXBNZDQVMUFSMM-MRVPVSSYSA-N 1 2 219.210 1.557 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@H]1C(F)(F)F ZINC000647935644 386494955 /nfs/dbraw/zinc/49/49/55/386494955.db2.gz MXBNZDQVMUFSMM-QMMMGPOBSA-N 1 2 219.210 1.557 20 0 BDADLO Cn1c[nH+]cc1CSc1nnnn1C1CC1 ZINC000267109862 386498007 /nfs/dbraw/zinc/49/80/07/386498007.db2.gz AESKQIGFFACIBE-UHFFFAOYSA-N 1 2 236.304 1.034 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[NH+](C)CC2)o1 ZINC000267176668 386503872 /nfs/dbraw/zinc/50/38/72/386503872.db2.gz FTKRTVOYTNGBCR-UHFFFAOYSA-N 1 2 222.288 1.284 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]n1 ZINC000647971345 386505840 /nfs/dbraw/zinc/50/58/40/386505840.db2.gz BHTBGQIFVKTUEZ-AOOOYVTPSA-N 1 2 205.261 1.106 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc[nH]n1 ZINC000647971345 386505844 /nfs/dbraw/zinc/50/58/44/386505844.db2.gz BHTBGQIFVKTUEZ-AOOOYVTPSA-N 1 2 205.261 1.106 20 0 BDADLO COC[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000135401813 386510829 /nfs/dbraw/zinc/51/08/29/386510829.db2.gz FJZJTMMZADWWKR-ZETCQYMHSA-N 1 2 210.233 1.008 20 0 BDADLO CC(C)(C)OC(=O)C[NH+]1CCSCC1 ZINC000061283403 386511420 /nfs/dbraw/zinc/51/14/20/386511420.db2.gz KMVSIAJYMFZQFC-UHFFFAOYSA-N 1 2 217.334 1.377 20 0 BDADLO CC(C)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339681809 386520373 /nfs/dbraw/zinc/52/03/73/386520373.db2.gz ZYTRPZXTRUAOTD-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO Cn1ncc2c1nc(NCCC1CC1)[nH+]c2N ZINC000278470454 386530304 /nfs/dbraw/zinc/53/03/04/386530304.db2.gz ULIWZEHEHGRLHL-UHFFFAOYSA-N 1 2 232.291 1.158 20 0 BDADLO CSC1(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC000227931058 386522813 /nfs/dbraw/zinc/52/28/13/386522813.db2.gz AAGVFASPWVZDSW-UHFFFAOYSA-N 1 2 249.343 1.671 20 0 BDADLO CCOCCCNc1nc(C)[nH+]cc1C ZINC000519645612 386523270 /nfs/dbraw/zinc/52/32/70/386523270.db2.gz JLKDSHDENJOKNH-UHFFFAOYSA-N 1 2 209.293 1.354 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1nnc(C2CC2)o1 ZINC000278415538 386523320 /nfs/dbraw/zinc/52/33/20/386523320.db2.gz OFESYQDOQZIHRW-UHFFFAOYSA-N 1 2 233.275 1.317 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2noc(C)n2)CC1 ZINC000366474520 386525031 /nfs/dbraw/zinc/52/50/31/386525031.db2.gz WSXPTCYWMKQUSM-GFCCVEGCSA-N 1 2 239.319 1.769 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2noc(C)n2)CC1 ZINC000366474520 386525038 /nfs/dbraw/zinc/52/50/38/386525038.db2.gz WSXPTCYWMKQUSM-GFCCVEGCSA-N 1 2 239.319 1.769 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)C[C@H]1CCCO1 ZINC000290572920 386453772 /nfs/dbraw/zinc/45/37/72/386453772.db2.gz YQWVIDYNTSSTMX-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000290572920 386453778 /nfs/dbraw/zinc/45/37/78/386453778.db2.gz YQWVIDYNTSSTMX-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000336721028 386454096 /nfs/dbraw/zinc/45/40/96/386454096.db2.gz YWZKLGHZZBILAZ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000336721028 386454100 /nfs/dbraw/zinc/45/41/00/386454100.db2.gz YWZKLGHZZBILAZ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO C[N@H+](CCO[C@H]1CCCCO1)Cc1ccon1 ZINC000277685088 386459244 /nfs/dbraw/zinc/45/92/44/386459244.db2.gz KTKBAKXYMQLSGE-LBPRGKRZSA-N 1 2 240.303 1.650 20 0 BDADLO C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccon1 ZINC000277685088 386459248 /nfs/dbraw/zinc/45/92/48/386459248.db2.gz KTKBAKXYMQLSGE-LBPRGKRZSA-N 1 2 240.303 1.650 20 0 BDADLO COCc1nc(C)cc(NCCn2cc[nH+]c2)n1 ZINC000266681587 386460700 /nfs/dbraw/zinc/46/07/00/386460700.db2.gz ATEAMUCMEDQVMD-UHFFFAOYSA-N 1 2 247.302 1.240 20 0 BDADLO CCCCOC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366405645 386465545 /nfs/dbraw/zinc/46/55/45/386465545.db2.gz OZDBDDQHAVMDCI-WDEREUQCSA-N 1 2 227.304 1.193 20 0 BDADLO CCCCOC(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366405645 386465547 /nfs/dbraw/zinc/46/55/47/386465547.db2.gz OZDBDDQHAVMDCI-WDEREUQCSA-N 1 2 227.304 1.193 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424844064 386598163 /nfs/dbraw/zinc/59/81/63/386598163.db2.gz KFORECPNHHWJDX-JQWIXIFHSA-N 1 2 238.262 1.455 20 0 BDADLO C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)[C@H]1C ZINC000267751268 386581441 /nfs/dbraw/zinc/58/14/41/386581441.db2.gz PDWCYDGNRWRGPB-ZJUUUORDSA-N 1 2 236.319 1.360 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2c(c1)OCO2 ZINC000267804369 386587583 /nfs/dbraw/zinc/58/75/83/386587583.db2.gz RCMZNNUJJWAEKB-UHFFFAOYSA-N 1 2 232.239 1.728 20 0 BDADLO CC[N@H+](Cc1ccc(C)nn1)C1COC1 ZINC000414459745 386588853 /nfs/dbraw/zinc/58/88/53/386588853.db2.gz BWQPHMRDHPEBHP-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CC[N@@H+](Cc1ccc(C)nn1)C1COC1 ZINC000414459745 386588856 /nfs/dbraw/zinc/58/88/56/386588856.db2.gz BWQPHMRDHPEBHP-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(F)(F)CO ZINC000228648882 386594556 /nfs/dbraw/zinc/59/45/56/386594556.db2.gz YGVQATSXUHXYKI-VIFPVBQESA-N 1 2 245.269 1.540 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000267367028 386534662 /nfs/dbraw/zinc/53/46/62/386534662.db2.gz QTWUHANKXVXGAQ-IAZYJMLFSA-N 1 2 233.315 1.425 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(=O)OC ZINC000336755292 386536104 /nfs/dbraw/zinc/53/61/04/386536104.db2.gz GGRLHLJAGLCHCM-AEJSXWLSSA-N 1 2 229.320 1.199 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccon2)CC2(CCC2)O1 ZINC000335461119 386542467 /nfs/dbraw/zinc/54/24/67/386542467.db2.gz FKCRXOWTBRQSJB-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccon2)CC2(CCC2)O1 ZINC000335461119 386542472 /nfs/dbraw/zinc/54/24/72/386542472.db2.gz FKCRXOWTBRQSJB-JTQLQIEISA-N 1 2 222.288 1.818 20 0 BDADLO C[N@H+](Cc1ncnn1CC(F)F)CC1(C)CC1 ZINC000519797663 386556418 /nfs/dbraw/zinc/55/64/18/386556418.db2.gz STTAZWJHDXFNHI-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO C[N@@H+](Cc1ncnn1CC(F)F)CC1(C)CC1 ZINC000519797663 386556429 /nfs/dbraw/zinc/55/64/29/386556429.db2.gz STTAZWJHDXFNHI-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO CC(C)(O)c1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000187506785 386557842 /nfs/dbraw/zinc/55/78/42/386557842.db2.gz IEBNYWFCPZHLNZ-UHFFFAOYSA-N 1 2 245.326 1.927 20 0 BDADLO C/C=C(\C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000267617262 386562280 /nfs/dbraw/zinc/56/22/80/386562280.db2.gz YKFLCMCNSOBVOH-WXLQGSQKSA-N 1 2 207.277 1.354 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335408565 386568427 /nfs/dbraw/zinc/56/84/27/386568427.db2.gz NJPSKBJWMURTEC-WCBMZHEXSA-N 1 2 230.333 1.118 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335408565 386568431 /nfs/dbraw/zinc/56/84/31/386568431.db2.gz NJPSKBJWMURTEC-WCBMZHEXSA-N 1 2 230.333 1.118 20 0 BDADLO Cn1cccc1C[N@@H+]1CCn2cncc2C1 ZINC000291677172 386568562 /nfs/dbraw/zinc/56/85/62/386568562.db2.gz WWADBQGOQORXBC-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1cccc1C[N@H+]1CCn2cncc2C1 ZINC000291677172 386568566 /nfs/dbraw/zinc/56/85/66/386568566.db2.gz WWADBQGOQORXBC-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)C[C@@H]1CCCCO1 ZINC000268172138 386625226 /nfs/dbraw/zinc/62/52/26/386625226.db2.gz QKQGRZQEKKKIEP-ZBEGNZNMSA-N 1 2 242.344 1.238 20 0 BDADLO C[C@@H](CCO)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000279102833 386633362 /nfs/dbraw/zinc/63/33/62/386633362.db2.gz VKNZZWUVJFXRGG-CMPLNLGQSA-N 1 2 246.314 1.255 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329353860 386655987 /nfs/dbraw/zinc/65/59/87/386655987.db2.gz GFKVRBAMZAOOJN-GARJFASQSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000279142871 386638862 /nfs/dbraw/zinc/63/88/62/386638862.db2.gz GKYCEEUFAZSAIY-QMMMGPOBSA-N 1 2 207.277 1.257 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)CCF)o1 ZINC000268321169 386643031 /nfs/dbraw/zinc/64/30/31/386643031.db2.gz TVWJBYYHKWIDEJ-UHFFFAOYSA-N 1 2 215.224 1.468 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)CCF)o1 ZINC000268321169 386643035 /nfs/dbraw/zinc/64/30/35/386643035.db2.gz TVWJBYYHKWIDEJ-UHFFFAOYSA-N 1 2 215.224 1.468 20 0 BDADLO Cc1ccc(NC(=O)c2cncn2C)c(C)[nH+]1 ZINC000292321133 386650122 /nfs/dbraw/zinc/65/01/22/386650122.db2.gz WRDGFELGKIRQDQ-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc[nH+]1 ZINC000328953547 386651465 /nfs/dbraw/zinc/65/14/65/386651465.db2.gz YBFZNGYMHYLIQK-MWLCHTKSSA-N 1 2 246.310 1.756 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H](F)C2)c[nH+]1 ZINC000335518694 386654097 /nfs/dbraw/zinc/65/40/97/386654097.db2.gz DEMJFCXKWPQFRH-BDAKNGLRSA-N 1 2 225.267 1.729 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000027300324 386656467 /nfs/dbraw/zinc/65/64/67/386656467.db2.gz JXRKNQCZBCNHBN-UHFFFAOYSA-N 1 2 239.282 1.916 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ncn1 ZINC000291923872 386599625 /nfs/dbraw/zinc/59/96/25/386599625.db2.gz ACIRCHNLKTXDMH-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ncn1 ZINC000291923872 386599631 /nfs/dbraw/zinc/59/96/31/386599631.db2.gz ACIRCHNLKTXDMH-QWHCGFSZSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(CC(C)C)C1CC1 ZINC000278894681 386602386 /nfs/dbraw/zinc/60/23/86/386602386.db2.gz PEGFMROWAYRZHM-UHFFFAOYSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1noc(CCc2c[nH+]cc(C)c2)n1 ZINC000291965540 386604410 /nfs/dbraw/zinc/60/44/10/386604410.db2.gz SMLXFOGPVWCFBG-UHFFFAOYSA-N 1 2 203.245 1.867 20 0 BDADLO c1cn2c([nH+]1)CN(Cc1noc(C3CC3)n1)CC2 ZINC000328645472 386604467 /nfs/dbraw/zinc/60/44/67/386604467.db2.gz GXDXGXBJLBAXNK-UHFFFAOYSA-N 1 2 245.286 1.159 20 0 BDADLO Cn1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000328670248 386606899 /nfs/dbraw/zinc/60/68/99/386606899.db2.gz MNVVJKOPLYKELT-NSHDSACASA-N 1 2 246.318 1.265 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000335491972 386609271 /nfs/dbraw/zinc/60/92/71/386609271.db2.gz QQAXCQPRRWMLHB-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000268022330 386611413 /nfs/dbraw/zinc/61/14/13/386611413.db2.gz WYSHRYUTTJQUFT-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C2CC2)C1 ZINC000292046590 386613358 /nfs/dbraw/zinc/61/33/58/386613358.db2.gz IRYADZKLPZHTNW-LBPRGKRZSA-N 1 2 247.342 1.909 20 0 BDADLO C[C@]1(C(=O)Nc2cccc3[nH+]ccn32)CCCO1 ZINC000268058008 386613772 /nfs/dbraw/zinc/61/37/72/386613772.db2.gz URFHTWVRVBOMBH-CYBMUJFWSA-N 1 2 245.282 1.842 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nn(C)cc1Cl ZINC000335494531 386615864 /nfs/dbraw/zinc/61/58/64/386615864.db2.gz KMNKOSQRPJGTNH-SFYZADRCSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nn(C)cc1Cl ZINC000335494531 386615870 /nfs/dbraw/zinc/61/58/70/386615870.db2.gz KMNKOSQRPJGTNH-SFYZADRCSA-N 1 2 229.711 1.029 20 0 BDADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)ccn1 ZINC000279003016 386618688 /nfs/dbraw/zinc/61/86/88/386618688.db2.gz RTWIQDMILOGQIW-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO CCc1c[nH]c(SCc2c[nH+]cn2C)n1 ZINC000268490535 386659619 /nfs/dbraw/zinc/65/96/19/386659619.db2.gz OFTLEKWICDKKJF-UHFFFAOYSA-N 1 2 222.317 1.998 20 0 BDADLO O[C@@H]1C[N@H+](CCC2CCOCC2)CC(F)(F)C1 ZINC000645002523 386664995 /nfs/dbraw/zinc/66/49/95/386664995.db2.gz XUJPRVKAHFIMEI-NSHDSACASA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1C[N@@H+](CCC2CCOCC2)CC(F)(F)C1 ZINC000645002523 386665000 /nfs/dbraw/zinc/66/50/00/386665000.db2.gz XUJPRVKAHFIMEI-NSHDSACASA-N 1 2 249.301 1.505 20 0 BDADLO CC[N@H+](Cc1nnnn1CC(F)(F)F)C1CC1 ZINC000190812703 386668425 /nfs/dbraw/zinc/66/84/25/386668425.db2.gz UXQTWVILIICJJH-UHFFFAOYSA-N 1 2 249.240 1.220 20 0 BDADLO CC[N@@H+](Cc1nnnn1CC(F)(F)F)C1CC1 ZINC000190812703 386668431 /nfs/dbraw/zinc/66/84/31/386668431.db2.gz UXQTWVILIICJJH-UHFFFAOYSA-N 1 2 249.240 1.220 20 0 BDADLO CCC[C@H](CCO)CNc1nc(C)[nH+]cc1C ZINC000520427951 386671180 /nfs/dbraw/zinc/67/11/80/386671180.db2.gz GECZCMGJWPSWGS-GFCCVEGCSA-N 1 2 237.347 1.726 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)n1 ZINC000268634042 386672805 /nfs/dbraw/zinc/67/28/05/386672805.db2.gz CFPKTNGKWUKXAT-NSHDSACASA-N 1 2 244.298 1.458 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)n1 ZINC000268634042 386672813 /nfs/dbraw/zinc/67/28/13/386672813.db2.gz CFPKTNGKWUKXAT-NSHDSACASA-N 1 2 244.298 1.458 20 0 BDADLO Cc1ccc(NC(=O)N2CCO[C@H]3C[C@H]32)c(C)[nH+]1 ZINC000645019650 386676028 /nfs/dbraw/zinc/67/60/28/386676028.db2.gz FDLZADBXKSRMQC-NEPJUHHUSA-N 1 2 247.298 1.703 20 0 BDADLO C[N@@H+](Cc1nccc(N)n1)C[C@H]1CCCCO1 ZINC000268681534 386682743 /nfs/dbraw/zinc/68/27/43/386682743.db2.gz PJANXKBKIXDQPM-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO C[N@H+](Cc1nccc(N)n1)C[C@H]1CCCCO1 ZINC000268681534 386682752 /nfs/dbraw/zinc/68/27/52/386682752.db2.gz PJANXKBKIXDQPM-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO CCCC[C@H](COC)[NH2+][C@H](CC)C(=O)OC ZINC000192850531 386678564 /nfs/dbraw/zinc/67/85/64/386678564.db2.gz LADWPURSZZOBCI-GHMZBOCLSA-N 1 2 231.336 1.733 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(Cl)nc1 ZINC000188459391 386657616 /nfs/dbraw/zinc/65/76/16/386657616.db2.gz PMROFDNBVDRXOI-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(Cl)nc1 ZINC000188459391 386657621 /nfs/dbraw/zinc/65/76/21/386657621.db2.gz PMROFDNBVDRXOI-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO O=C([C@H]1CCCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329370604 386657985 /nfs/dbraw/zinc/65/79/85/386657985.db2.gz LWHRUBLANPYTIV-WDEREUQCSA-N 1 2 249.314 1.642 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000337187733 386658254 /nfs/dbraw/zinc/65/82/54/386658254.db2.gz QFUUBXLHSALLMG-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000337187733 386658258 /nfs/dbraw/zinc/65/82/58/386658258.db2.gz QFUUBXLHSALLMG-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)C(=O)OC ZINC000192854438 386686689 /nfs/dbraw/zinc/68/66/89/386686689.db2.gz FJLXPUMZPUWMDI-UWVGGRQHSA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000647956360 386689259 /nfs/dbraw/zinc/68/92/59/386689259.db2.gz MBXBJOBOOSIZCE-JTQLQIEISA-N 1 2 208.309 1.469 20 0 BDADLO CC[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000647956360 386689261 /nfs/dbraw/zinc/68/92/61/386689261.db2.gz MBXBJOBOOSIZCE-JTQLQIEISA-N 1 2 208.309 1.469 20 0 BDADLO CCC[C@@](C)([NH2+]CCOCC(C)C)C(=O)OC ZINC000337258982 386691532 /nfs/dbraw/zinc/69/15/32/386691532.db2.gz VNUKIWUOMDYQMG-CYBMUJFWSA-N 1 2 245.363 1.980 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1[C@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000442803984 386692856 /nfs/dbraw/zinc/69/28/56/386692856.db2.gz VEDPWLIRKKOFQJ-FXQIFTODSA-N 1 2 243.257 1.878 20 0 BDADLO Cc1nnc(NC(=O)CCn2cc[nH+]c2)s1 ZINC000292591940 386695794 /nfs/dbraw/zinc/69/57/94/386695794.db2.gz JBGZJHLQUQNJJJ-UHFFFAOYSA-N 1 2 237.288 1.072 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(C)C(C)C ZINC000357033749 386697287 /nfs/dbraw/zinc/69/72/87/386697287.db2.gz IDVOYDPUDQPAMI-NEPJUHHUSA-N 1 2 242.363 1.353 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(C)C(C)C ZINC000357033749 386697293 /nfs/dbraw/zinc/69/72/93/386697293.db2.gz IDVOYDPUDQPAMI-NEPJUHHUSA-N 1 2 242.363 1.353 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](O)CC2)[nH+]1 ZINC000645065781 386700876 /nfs/dbraw/zinc/70/08/76/386700876.db2.gz UJHYFDLILABUAI-SNVBAGLBSA-N 1 2 246.314 1.618 20 0 BDADLO Cc1nc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)no1 ZINC000330481612 386732928 /nfs/dbraw/zinc/73/29/28/386732928.db2.gz RUAYODBZSXQKBY-QMMMGPOBSA-N 1 2 249.274 1.228 20 0 BDADLO O=C(C[NH2+]Cc1nccs1)NC1CCCC1 ZINC000302907262 386734625 /nfs/dbraw/zinc/73/46/25/386734625.db2.gz JFVWUWYAXFVCPP-UHFFFAOYSA-N 1 2 239.344 1.292 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cnccn2)cnn1C ZINC000269004993 386735044 /nfs/dbraw/zinc/73/50/44/386735044.db2.gz KXJNAKYJFIXKNT-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cnccn2)cnn1C ZINC000269004993 386735051 /nfs/dbraw/zinc/73/50/51/386735051.db2.gz KXJNAKYJFIXKNT-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cocn2)C1 ZINC000414491493 386719953 /nfs/dbraw/zinc/71/99/53/386719953.db2.gz XGZNTVZRDDULIB-UONOGXRCSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cocn2)C1 ZINC000414491493 386719958 /nfs/dbraw/zinc/71/99/58/386719958.db2.gz XGZNTVZRDDULIB-UONOGXRCSA-N 1 2 244.294 1.983 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H](O)CC2)n1 ZINC000335541813 386722702 /nfs/dbraw/zinc/72/27/02/386722702.db2.gz ZNMSYZPIFPBNNZ-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@H](O)CC2)n1 ZINC000335541813 386722707 /nfs/dbraw/zinc/72/27/07/386722707.db2.gz ZNMSYZPIFPBNNZ-VIFPVBQESA-N 1 2 243.738 1.420 20 0 BDADLO Cc1nnc(N(C)CCCn2cc[nH+]c2)s1 ZINC000268951503 386725651 /nfs/dbraw/zinc/72/56/51/386725651.db2.gz IGJOIOKXLILJHZ-UHFFFAOYSA-N 1 2 237.332 1.570 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000335543822 386728079 /nfs/dbraw/zinc/72/80/79/386728079.db2.gz KBVKFTGYXMUJSH-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000335543822 386728085 /nfs/dbraw/zinc/72/80/85/386728085.db2.gz KBVKFTGYXMUJSH-MRVPVSSYSA-N 1 2 229.711 1.030 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000336760392 386729296 /nfs/dbraw/zinc/72/92/96/386729296.db2.gz JQCTVZNBASXCLH-YGOYTEALSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCCO ZINC000293041317 386769305 /nfs/dbraw/zinc/76/93/05/386769305.db2.gz FBAFDJRKCGBHBM-SECBINFHSA-N 1 2 228.723 1.901 20 0 BDADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCO ZINC000293041317 386769311 /nfs/dbraw/zinc/76/93/11/386769311.db2.gz FBAFDJRKCGBHBM-SECBINFHSA-N 1 2 228.723 1.901 20 0 BDADLO CC(C)N(CC(F)F)C(=O)CCn1cc[nH+]c1 ZINC000269077621 386747701 /nfs/dbraw/zinc/74/77/01/386747701.db2.gz HPXBVXREGWKRDS-UHFFFAOYSA-N 1 2 245.273 1.775 20 0 BDADLO C[NH+](C)[C@H](CNCc1cocn1)c1ccco1 ZINC000192280139 386749981 /nfs/dbraw/zinc/74/99/81/386749981.db2.gz SMTPZNDAKNFBQN-LLVKDONJSA-N 1 2 235.287 1.660 20 0 BDADLO COC(=O)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348529846 386750140 /nfs/dbraw/zinc/75/01/40/386750140.db2.gz FWIXEBWSJHNXRR-IMSIIYSGSA-N 1 2 249.310 1.702 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334150600 386750501 /nfs/dbraw/zinc/75/05/01/386750501.db2.gz MLOYHYWERZMOKV-QMMMGPOBSA-N 1 2 219.288 1.183 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000334150600 386750503 /nfs/dbraw/zinc/75/05/03/386750503.db2.gz MLOYHYWERZMOKV-QMMMGPOBSA-N 1 2 219.288 1.183 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000348526312 386751464 /nfs/dbraw/zinc/75/14/64/386751464.db2.gz TWZLMEBRMIDKJE-LLVKDONJSA-N 1 2 205.257 1.606 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000348526312 386751471 /nfs/dbraw/zinc/75/14/71/386751471.db2.gz TWZLMEBRMIDKJE-LLVKDONJSA-N 1 2 205.257 1.606 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000292933491 386752414 /nfs/dbraw/zinc/75/24/14/386752414.db2.gz HFEIPJGGNIWVMI-HRDYMLBCSA-N 1 2 239.344 1.810 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000292933491 386752419 /nfs/dbraw/zinc/75/24/19/386752419.db2.gz HFEIPJGGNIWVMI-HRDYMLBCSA-N 1 2 239.344 1.810 20 0 BDADLO CCOc1cncc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000357296031 386753009 /nfs/dbraw/zinc/75/30/09/386753009.db2.gz DXJVDKKNTUUFPV-SNVBAGLBSA-N 1 2 247.302 1.572 20 0 BDADLO c1cn(CCc2nc(-c3ccon3)no2)c[nH+]1 ZINC000357335818 386762094 /nfs/dbraw/zinc/76/20/94/386762094.db2.gz CQKNPTNZSNPIBQ-UHFFFAOYSA-N 1 2 231.215 1.164 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000191151848 386767986 /nfs/dbraw/zinc/76/79/86/386767986.db2.gz ZHCWTSVHOZJVPH-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@](C)(CC)C1 ZINC000191151848 386767992 /nfs/dbraw/zinc/76/79/92/386767992.db2.gz ZHCWTSVHOZJVPH-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)ncn1 ZINC000293225447 386790566 /nfs/dbraw/zinc/79/05/66/386790566.db2.gz QDCGUNAUPBPDHQ-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCC3)C2)ncn1 ZINC000293225447 386790575 /nfs/dbraw/zinc/79/05/75/386790575.db2.gz QDCGUNAUPBPDHQ-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO CN(CCC1CC1)C(=O)NCc1[nH+]ccn1C ZINC000269439868 386792174 /nfs/dbraw/zinc/79/21/74/386792174.db2.gz ASNJPYOZPRWHEA-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO CC(C)CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000366713685 386772832 /nfs/dbraw/zinc/77/28/32/386772832.db2.gz MGUXQNLTBLYMKE-UHFFFAOYSA-N 1 2 238.335 1.736 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ncccc1C ZINC000357395458 386776244 /nfs/dbraw/zinc/77/62/44/386776244.db2.gz YJEVMCRPJVTSOU-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ncccc1C ZINC000357395458 386776248 /nfs/dbraw/zinc/77/62/48/386776248.db2.gz YJEVMCRPJVTSOU-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO CN(C)c1ncc(C[NH+]2CCOCC2)s1 ZINC000269342077 386782082 /nfs/dbraw/zinc/78/20/82/386782082.db2.gz CLJFBURRFSRNRV-UHFFFAOYSA-N 1 2 227.333 1.041 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCC(N)=O)n1C ZINC000330607464 386784750 /nfs/dbraw/zinc/78/47/50/386784750.db2.gz JXNWTULRJMHRJD-UHFFFAOYSA-N 1 2 239.323 1.296 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCC(N)=O)n1C ZINC000330607464 386784756 /nfs/dbraw/zinc/78/47/56/386784756.db2.gz JXNWTULRJMHRJD-UHFFFAOYSA-N 1 2 239.323 1.296 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000293209657 386787450 /nfs/dbraw/zinc/78/74/50/386787450.db2.gz PIBQMYUKGABJFR-RKDXNWHRSA-N 1 2 228.723 1.899 20 0 BDADLO C[C@@H](O)C[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000293209657 386787455 /nfs/dbraw/zinc/78/74/55/386787455.db2.gz PIBQMYUKGABJFR-RKDXNWHRSA-N 1 2 228.723 1.899 20 0 BDADLO Cc1cc(C)n(CC[N@@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000283193181 386824753 /nfs/dbraw/zinc/82/47/53/386824753.db2.gz QPWHCMVZVJBSAH-SNVBAGLBSA-N 1 2 235.331 1.411 20 0 BDADLO Cc1cc(C)n(CC[N@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000283193181 386824756 /nfs/dbraw/zinc/82/47/56/386824756.db2.gz QPWHCMVZVJBSAH-SNVBAGLBSA-N 1 2 235.331 1.411 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000340895630 386798199 /nfs/dbraw/zinc/79/81/99/386798199.db2.gz VBLCHFYRKRZAMR-DGCLKSJQSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000340895630 386798205 /nfs/dbraw/zinc/79/82/05/386798205.db2.gz VBLCHFYRKRZAMR-DGCLKSJQSA-N 1 2 242.363 1.402 20 0 BDADLO CC1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340888271 386800283 /nfs/dbraw/zinc/80/02/83/386800283.db2.gz FAMHOXQOFASDLF-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO CC1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340888271 386800292 /nfs/dbraw/zinc/80/02/92/386800292.db2.gz FAMHOXQOFASDLF-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO COCC[C@H]([NH2+]Cc1cnc[nH]1)c1ccco1 ZINC000280322827 386804459 /nfs/dbraw/zinc/80/44/59/386804459.db2.gz YQRDHZASVPPGSL-NSHDSACASA-N 1 2 235.287 1.870 20 0 BDADLO CC(C)c1nc(NCCc2cnccn2)cc[nH+]1 ZINC000340959352 386809269 /nfs/dbraw/zinc/80/92/69/386809269.db2.gz QCDJCSSYQKOYFS-UHFFFAOYSA-N 1 2 243.314 1.467 20 0 BDADLO c1nn2ccccc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366544515 386811049 /nfs/dbraw/zinc/81/10/49/386811049.db2.gz MIIDGRVZAJVRON-OLZOCXBDSA-N 1 2 229.283 1.307 20 0 BDADLO c1nn2ccccc2c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366544515 386811056 /nfs/dbraw/zinc/81/10/56/386811056.db2.gz MIIDGRVZAJVRON-OLZOCXBDSA-N 1 2 229.283 1.307 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C[C@@H](C)O ZINC000340984691 386811050 /nfs/dbraw/zinc/81/10/50/386811050.db2.gz GDAXTJSPOWGCBX-VHSXEESVSA-N 1 2 237.303 1.093 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc[nH]c1C1CC1 ZINC000339936858 386811918 /nfs/dbraw/zinc/81/19/18/386811918.db2.gz QBTPPIYJGVFBPM-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO Cc1nc(N2CC[C@@H](O)CC(C)(C)C2)cc[nH+]1 ZINC000395320387 386813300 /nfs/dbraw/zinc/81/33/00/386813300.db2.gz LSKKIGHQDANJNI-LLVKDONJSA-N 1 2 235.331 1.772 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCn2ncnc2C1 ZINC000329942143 386815583 /nfs/dbraw/zinc/81/55/83/386815583.db2.gz VIDUARBUXFONMD-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)(C)OCC[N@@H+]1CCn2cncc2C1 ZINC000647939282 386829967 /nfs/dbraw/zinc/82/99/67/386829967.db2.gz IPZCTDUJWNWIBU-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CC(C)(C)OCC[N@H+]1CCn2cncc2C1 ZINC000647939282 386829972 /nfs/dbraw/zinc/82/99/72/386829972.db2.gz IPZCTDUJWNWIBU-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CC(C)(C)OCCN1CCn2c[nH+]cc2C1 ZINC000647939282 386829973 /nfs/dbraw/zinc/82/99/73/386829973.db2.gz IPZCTDUJWNWIBU-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)c2cccn2C)[C@H]1C ZINC000293510843 386830475 /nfs/dbraw/zinc/83/04/75/386830475.db2.gz VCSGDUNIXLFLFQ-ZJUUUORDSA-N 1 2 206.289 1.548 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)c2cccn2C)[C@H]1C ZINC000293510843 386830483 /nfs/dbraw/zinc/83/04/83/386830483.db2.gz VCSGDUNIXLFLFQ-ZJUUUORDSA-N 1 2 206.289 1.548 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCOCC2)cc[nH+]1 ZINC000334781499 386838378 /nfs/dbraw/zinc/83/83/78/386838378.db2.gz KKUUIFPSKZTHSA-LLVKDONJSA-N 1 2 234.299 1.567 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1CCCCC1 ZINC000280713234 386838414 /nfs/dbraw/zinc/83/84/14/386838414.db2.gz GUSTWRKNVHFICC-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CC=CCC1 ZINC000280689787 386838968 /nfs/dbraw/zinc/83/89/68/386838968.db2.gz DGFSJGHFUYVCIA-NSHDSACASA-N 1 2 233.315 1.733 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+]2CCC=C(C)C2)n1 ZINC000280719043 386840071 /nfs/dbraw/zinc/84/00/71/386840071.db2.gz FLXZCTIYTZUDQQ-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO COCc1noc([C@@H](C)[N@H+]2CCC=C(C)C2)n1 ZINC000280719043 386840083 /nfs/dbraw/zinc/84/00/83/386840083.db2.gz FLXZCTIYTZUDQQ-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000280720393 386841541 /nfs/dbraw/zinc/84/15/41/386841541.db2.gz KCUZRNVBTJIARG-CMPLNLGQSA-N 1 2 237.299 1.213 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000280720393 386841542 /nfs/dbraw/zinc/84/15/42/386841542.db2.gz KCUZRNVBTJIARG-CMPLNLGQSA-N 1 2 237.299 1.213 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccncc1F ZINC000334785404 386845395 /nfs/dbraw/zinc/84/53/95/386845395.db2.gz ILEZCIGRKOFAOU-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1ccncc1F ZINC000334785404 386845401 /nfs/dbraw/zinc/84/54/01/386845401.db2.gz ILEZCIGRKOFAOU-SNVBAGLBSA-N 1 2 242.319 1.130 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1nnc(C2CC2)s1 ZINC000301937549 386892229 /nfs/dbraw/zinc/89/22/29/386892229.db2.gz SBRAYXFSLJGLCD-UHFFFAOYSA-N 1 2 249.343 1.785 20 0 BDADLO Cc1[nH]nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1C ZINC000330804761 386892421 /nfs/dbraw/zinc/89/24/21/386892421.db2.gz LIJGBBMYBJPPIC-MRVPVSSYSA-N 1 2 247.302 1.042 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000293668822 386856149 /nfs/dbraw/zinc/85/61/49/386856149.db2.gz QFYQOJCJVWZCQZ-DTORHVGOSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000293668822 386856158 /nfs/dbraw/zinc/85/61/58/386856158.db2.gz QFYQOJCJVWZCQZ-DTORHVGOSA-N 1 2 210.277 1.592 20 0 BDADLO CCn1cncc1C[N@H+](C)Cc1ccncc1 ZINC000418005393 386857329 /nfs/dbraw/zinc/85/73/29/386857329.db2.gz OLJSPTMCGWQUPN-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1cncc1C[N@@H+](C)Cc1ccncc1 ZINC000418005393 386857331 /nfs/dbraw/zinc/85/73/31/386857331.db2.gz OLJSPTMCGWQUPN-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1ccncc1 ZINC000418005393 386857339 /nfs/dbraw/zinc/85/73/39/386857339.db2.gz OLJSPTMCGWQUPN-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO COC(=O)C(C)(C)CNc1cc(C)[nH+]cn1 ZINC000301595782 386859312 /nfs/dbraw/zinc/85/93/12/386859312.db2.gz FVHLZIHCUJBOFC-UHFFFAOYSA-N 1 2 223.276 1.396 20 0 BDADLO CC(C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334792995 386860654 /nfs/dbraw/zinc/86/06/54/386860654.db2.gz ZTVWCESYEIXRIT-MRVPVSSYSA-N 1 2 207.277 1.354 20 0 BDADLO CC(C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334792995 386860660 /nfs/dbraw/zinc/86/06/60/386860660.db2.gz ZTVWCESYEIXRIT-MRVPVSSYSA-N 1 2 207.277 1.354 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334794022 386861089 /nfs/dbraw/zinc/86/10/89/386861089.db2.gz OWBSKRPNLCYZCK-QWHCGFSZSA-N 1 2 247.342 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334794022 386861094 /nfs/dbraw/zinc/86/10/94/386861094.db2.gz OWBSKRPNLCYZCK-QWHCGFSZSA-N 1 2 247.342 1.719 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3ccc(F)cn3)CCN12 ZINC000335750622 386876734 /nfs/dbraw/zinc/87/67/34/386876734.db2.gz PBLJQXMNEUMXTQ-LBPRGKRZSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3ccc(F)cn3)CCN12 ZINC000335750622 386876737 /nfs/dbraw/zinc/87/67/37/386876737.db2.gz PBLJQXMNEUMXTQ-LBPRGKRZSA-N 1 2 249.289 1.027 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC(C2CCC2)C1 ZINC000341283327 386877628 /nfs/dbraw/zinc/87/76/28/386877628.db2.gz DKTBRWDPSHOTBM-UHFFFAOYSA-N 1 2 233.315 1.532 20 0 BDADLO COC[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301779158 386877878 /nfs/dbraw/zinc/87/78/78/386877878.db2.gz MLRCMPHXRUWSAS-MRVPVSSYSA-N 1 2 232.287 1.659 20 0 BDADLO C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000335752338 386878287 /nfs/dbraw/zinc/87/82/87/386878287.db2.gz NYRUDDVLPJIZGK-VIFPVBQESA-N 1 2 221.304 1.556 20 0 BDADLO CC[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301814364 386879983 /nfs/dbraw/zinc/87/99/83/386879983.db2.gz IGZFWIPTMWOXHH-QMMMGPOBSA-N 1 2 232.287 1.395 20 0 BDADLO CCOc1cncc(N(C)Cc2[nH+]ccn2C)n1 ZINC000301866538 386886829 /nfs/dbraw/zinc/88/68/29/386886829.db2.gz BPHQAFTYIMDCDD-UHFFFAOYSA-N 1 2 247.302 1.245 20 0 BDADLO COC1(CCNC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000293849545 386888180 /nfs/dbraw/zinc/88/81/80/386888180.db2.gz HZHLGDIFCRANPH-UHFFFAOYSA-N 1 2 237.303 1.407 20 0 BDADLO CC1(C)CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000335769752 386913918 /nfs/dbraw/zinc/91/39/18/386913918.db2.gz NRHIASNIFCJCND-SECBINFHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC1 ZINC000335769148 386913936 /nfs/dbraw/zinc/91/39/36/386913936.db2.gz ILIPCDOCQUGMCB-VXGBXAGGSA-N 1 2 245.326 1.386 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnoc1C ZINC000335770246 386915538 /nfs/dbraw/zinc/91/55/38/386915538.db2.gz KERUZLICHQMGKS-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnoc1C ZINC000335770246 386915543 /nfs/dbraw/zinc/91/55/43/386915543.db2.gz KERUZLICHQMGKS-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nc(N2CC[C@H]([C@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000302008853 386895499 /nfs/dbraw/zinc/89/54/99/386895499.db2.gz BNHIXHXAZMHVNC-JQWIXIFHSA-N 1 2 235.331 1.609 20 0 BDADLO Cc1occc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000334848591 386897302 /nfs/dbraw/zinc/89/73/02/386897302.db2.gz MPGUYCXYNNQZHX-STQMWFEESA-N 1 2 248.326 1.831 20 0 BDADLO Cc1occc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000334848591 386897307 /nfs/dbraw/zinc/89/73/07/386897307.db2.gz MPGUYCXYNNQZHX-STQMWFEESA-N 1 2 248.326 1.831 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000335761851 386900891 /nfs/dbraw/zinc/90/08/91/386900891.db2.gz PEUWTHQXDVBIQY-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)n1 ZINC000335761851 386900895 /nfs/dbraw/zinc/90/08/95/386900895.db2.gz PEUWTHQXDVBIQY-VXGBXAGGSA-N 1 2 220.316 1.999 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1CF ZINC000293914150 386901511 /nfs/dbraw/zinc/90/15/11/386901511.db2.gz AOWAKVVHEUNBCW-FSIBCCDJSA-N 1 2 223.251 1.383 20 0 BDADLO Cc1cc(N2CC(F)C2)nc(C2CC2)[nH+]1 ZINC000335763429 386902138 /nfs/dbraw/zinc/90/21/38/386902138.db2.gz AEVAIDJOUUTCSW-UHFFFAOYSA-N 1 2 207.252 1.821 20 0 BDADLO C[C@@H](CF)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334851777 386902513 /nfs/dbraw/zinc/90/25/13/386902513.db2.gz JOUHAZAXBWNGCJ-JGVFFNPUSA-N 1 2 225.267 1.304 20 0 BDADLO C[C@@H](CF)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334851777 386902516 /nfs/dbraw/zinc/90/25/16/386902516.db2.gz JOUHAZAXBWNGCJ-JGVFFNPUSA-N 1 2 225.267 1.304 20 0 BDADLO C[C@@H](CF)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334851781 386902564 /nfs/dbraw/zinc/90/25/64/386902564.db2.gz JOUHAZAXBWNGCJ-YUMQZZPRSA-N 1 2 225.267 1.304 20 0 BDADLO C[C@@H](CF)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334851781 386902567 /nfs/dbraw/zinc/90/25/67/386902567.db2.gz JOUHAZAXBWNGCJ-YUMQZZPRSA-N 1 2 225.267 1.304 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)CCCO1 ZINC000341404054 386904625 /nfs/dbraw/zinc/90/46/25/386904625.db2.gz HZOAYQGJWMWLAV-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccnc1 ZINC000331801015 386909168 /nfs/dbraw/zinc/90/91/68/386909168.db2.gz JMEALVUUTRRYLF-CMPLNLGQSA-N 1 2 243.314 1.859 20 0 BDADLO FC[C@H]1C[N@H+](Cc2cnn3ccccc23)CCO1 ZINC000334865416 386922249 /nfs/dbraw/zinc/92/22/49/386922249.db2.gz SMRDHJYZFOFWMZ-LBPRGKRZSA-N 1 2 249.289 1.505 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2cnn3ccccc23)CCO1 ZINC000334865416 386922252 /nfs/dbraw/zinc/92/22/52/386922252.db2.gz SMRDHJYZFOFWMZ-LBPRGKRZSA-N 1 2 249.289 1.505 20 0 BDADLO CC(F)(F)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000367970650 386922768 /nfs/dbraw/zinc/92/27/68/386922768.db2.gz PYRBSLZXYYWJRV-SECBINFHSA-N 1 2 243.257 1.702 20 0 BDADLO COc1ncncc1C[N@H+](C)Cc1cccn1C ZINC000648010165 386928568 /nfs/dbraw/zinc/92/85/68/386928568.db2.gz NSRVAOTZDWLRAK-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ncncc1C[N@@H+](C)Cc1cccn1C ZINC000648010165 386928570 /nfs/dbraw/zinc/92/85/70/386928570.db2.gz NSRVAOTZDWLRAK-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO C[C@H](O)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000302642381 386929816 /nfs/dbraw/zinc/92/98/16/386929816.db2.gz IMLKCWMRENINLZ-QMMMGPOBSA-N 1 2 232.287 1.029 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCc2ccccc21 ZINC000334818963 386947572 /nfs/dbraw/zinc/94/75/72/386947572.db2.gz PPHKRADTSMHSSQ-GFCCVEGCSA-N 1 2 248.301 1.620 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCc2ccccc21 ZINC000334818963 386947575 /nfs/dbraw/zinc/94/75/75/386947575.db2.gz PPHKRADTSMHSSQ-GFCCVEGCSA-N 1 2 248.301 1.620 20 0 BDADLO Cc1cncc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000358338113 386937486 /nfs/dbraw/zinc/93/74/86/386937486.db2.gz MMJGHYQMUZKWDI-UHFFFAOYSA-N 1 2 229.239 1.165 20 0 BDADLO Cc1nc(NCc2ccc(N)nc2)c(C)c(C)[nH+]1 ZINC000302797841 386939278 /nfs/dbraw/zinc/93/92/78/386939278.db2.gz AUBYXMIEELQJJE-UHFFFAOYSA-N 1 2 243.314 1.991 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000334878215 386940261 /nfs/dbraw/zinc/94/02/61/386940261.db2.gz TYMXEDMIJREABJ-ZIAGYGMSSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000334878215 386940263 /nfs/dbraw/zinc/94/02/63/386940263.db2.gz TYMXEDMIJREABJ-ZIAGYGMSSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)s1 ZINC000358748548 387007020 /nfs/dbraw/zinc/00/70/20/387007020.db2.gz WIIMJBSEKOCOMI-VXNVDRBHSA-N 1 2 227.333 1.049 20 0 BDADLO CCCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341723992 386954386 /nfs/dbraw/zinc/95/43/86/386954386.db2.gz YNXJRCZCSOFQJY-LLVKDONJSA-N 1 2 221.304 1.788 20 0 BDADLO CC[N@H+](CC(N)=O)CC(=O)NC1CCCCC1 ZINC000331070898 386954943 /nfs/dbraw/zinc/95/49/43/386954943.db2.gz SUMGUPNQIPGVAT-UHFFFAOYSA-N 1 2 241.335 1.292 20 0 BDADLO CC[N@@H+](CC(N)=O)CC(=O)NC1CCCCC1 ZINC000331070898 386954949 /nfs/dbraw/zinc/95/49/49/386954949.db2.gz SUMGUPNQIPGVAT-UHFFFAOYSA-N 1 2 241.335 1.292 20 0 BDADLO CCCCNc1cc(N(C)CC2CC2)nc(N)[nH+]1 ZINC000341772217 386957551 /nfs/dbraw/zinc/95/75/51/386957551.db2.gz NLSAYQFHFRKMIZ-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO CCCCNc1cc(N(C)CC2CC2)[nH+]c(N)n1 ZINC000341772217 386957553 /nfs/dbraw/zinc/95/75/53/386957553.db2.gz NLSAYQFHFRKMIZ-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000331092481 386958925 /nfs/dbraw/zinc/95/89/25/386958925.db2.gz XXKYVRZOIHYEIT-YFKPBYRVSA-N 1 2 221.182 1.224 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000331092481 386958928 /nfs/dbraw/zinc/95/89/28/386958928.db2.gz XXKYVRZOIHYEIT-YFKPBYRVSA-N 1 2 221.182 1.224 20 0 BDADLO CC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000639862046 386959808 /nfs/dbraw/zinc/95/98/08/386959808.db2.gz HAOFLAXWHONDJR-UHFFFAOYSA-N 1 2 208.261 1.443 20 0 BDADLO Fc1ccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368333047 386961267 /nfs/dbraw/zinc/96/12/67/386961267.db2.gz RXLJXQVRLLKVAM-QWHCGFSZSA-N 1 2 237.274 1.678 20 0 BDADLO Fc1ccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368333047 386961272 /nfs/dbraw/zinc/96/12/72/386961272.db2.gz RXLJXQVRLLKVAM-QWHCGFSZSA-N 1 2 237.274 1.678 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC(C)(C)O)s1 ZINC000358509139 386969922 /nfs/dbraw/zinc/96/99/22/386969922.db2.gz NOWPFRPNEBXBKR-UHFFFAOYSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1nnc(C[N@H+](C)CC(C)(C)O)s1 ZINC000358509139 386969925 /nfs/dbraw/zinc/96/99/25/386969925.db2.gz NOWPFRPNEBXBKR-UHFFFAOYSA-N 1 2 215.322 1.049 20 0 BDADLO Cc1nnc(C[N@H+](CCCCO)C2CC2)s1 ZINC000358508877 386969958 /nfs/dbraw/zinc/96/99/58/386969958.db2.gz MMMYMJQKNDKXBM-UHFFFAOYSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1nnc(C[N@@H+](CCCCO)C2CC2)s1 ZINC000358508877 386969961 /nfs/dbraw/zinc/96/99/61/386969961.db2.gz MMMYMJQKNDKXBM-UHFFFAOYSA-N 1 2 241.360 1.583 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H](O)CC1CCCC1 ZINC000332295530 386971746 /nfs/dbraw/zinc/97/17/46/386971746.db2.gz IJWRBBIOPAHINP-NSHDSACASA-N 1 2 238.335 1.178 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H](O)CC1CCCC1 ZINC000332295530 386971751 /nfs/dbraw/zinc/97/17/51/386971751.db2.gz IJWRBBIOPAHINP-NSHDSACASA-N 1 2 238.335 1.178 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCCF)C1 ZINC000332390221 386975595 /nfs/dbraw/zinc/97/55/95/386975595.db2.gz HTXVHACXRBAAES-ZJUUUORDSA-N 1 2 242.298 1.235 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCCF)C1 ZINC000332390221 386975601 /nfs/dbraw/zinc/97/56/01/386975601.db2.gz HTXVHACXRBAAES-ZJUUUORDSA-N 1 2 242.298 1.235 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)[nH]1 ZINC000334907610 386981706 /nfs/dbraw/zinc/98/17/06/386981706.db2.gz RMWPPIYGOZYLCN-SVRRBLITSA-N 1 2 248.252 1.886 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)[nH]1 ZINC000334907610 386981708 /nfs/dbraw/zinc/98/17/08/386981708.db2.gz RMWPPIYGOZYLCN-SVRRBLITSA-N 1 2 248.252 1.886 20 0 BDADLO Cc1noc(CCC[N@@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000331197980 386986635 /nfs/dbraw/zinc/98/66/35/386986635.db2.gz SYFLQCDAUIWEMI-SECBINFHSA-N 1 2 237.303 1.222 20 0 BDADLO Cc1noc(CCC[N@H+]2CCC(=O)[C@H](C)C2)n1 ZINC000331197980 386986636 /nfs/dbraw/zinc/98/66/36/386986636.db2.gz SYFLQCDAUIWEMI-SECBINFHSA-N 1 2 237.303 1.222 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC[C@H]2CO)s1 ZINC000358621901 386989295 /nfs/dbraw/zinc/98/92/95/386989295.db2.gz CKICBVYJOXANPM-VIFPVBQESA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC[C@H]2CO)s1 ZINC000358621901 386989301 /nfs/dbraw/zinc/98/93/01/386989301.db2.gz CKICBVYJOXANPM-VIFPVBQESA-N 1 2 227.333 1.193 20 0 BDADLO CC(C)[C@H]1OCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331223326 386991466 /nfs/dbraw/zinc/99/14/66/386991466.db2.gz WLTPKFICTVPOTN-WDEREUQCSA-N 1 2 237.303 1.087 20 0 BDADLO CC(C)[C@H]1OCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331223326 386991474 /nfs/dbraw/zinc/99/14/74/386991474.db2.gz WLTPKFICTVPOTN-WDEREUQCSA-N 1 2 237.303 1.087 20 0 BDADLO COc1ncccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000332568125 386992758 /nfs/dbraw/zinc/99/27/58/386992758.db2.gz CDLBXJROXFJSHT-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1ncccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000332568125 386992763 /nfs/dbraw/zinc/99/27/63/386992763.db2.gz CDLBXJROXFJSHT-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)s1 ZINC000358748548 387007015 /nfs/dbraw/zinc/00/70/15/387007015.db2.gz WIIMJBSEKOCOMI-VXNVDRBHSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000334955905 387034757 /nfs/dbraw/zinc/03/47/57/387034757.db2.gz NBOPWRRQQBDIDI-PHIMTYICSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000334955905 387034760 /nfs/dbraw/zinc/03/47/60/387034760.db2.gz NBOPWRRQQBDIDI-PHIMTYICSA-N 1 2 223.320 1.338 20 0 BDADLO CCC[C@](C)([NH2+]CCC(=O)OCC)C(=O)OC ZINC000118005512 387035034 /nfs/dbraw/zinc/03/50/34/387035034.db2.gz LLOJITBUKWMWPD-LBPRGKRZSA-N 1 2 245.319 1.261 20 0 BDADLO c1cn([C@H]2CCC[N@@H+](Cc3ccon3)C2)nn1 ZINC000333429263 387035501 /nfs/dbraw/zinc/03/55/01/387035501.db2.gz UBYGTNUNXMWHDJ-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO c1cn([C@H]2CCC[N@H+](Cc3ccon3)C2)nn1 ZINC000333429263 387035506 /nfs/dbraw/zinc/03/55/06/387035506.db2.gz UBYGTNUNXMWHDJ-NSHDSACASA-N 1 2 233.275 1.103 20 0 BDADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000369390327 387040171 /nfs/dbraw/zinc/04/01/71/387040171.db2.gz ZEBRHAGWCLNYOS-UWVGGRQHSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000369390327 387040174 /nfs/dbraw/zinc/04/01/74/387040174.db2.gz ZEBRHAGWCLNYOS-UWVGGRQHSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CC=CCC1 ZINC000333774824 387055268 /nfs/dbraw/zinc/05/52/68/387055268.db2.gz SSNCEIXDSLAIEN-ZDUSSCGKSA-N 1 2 233.315 1.957 20 0 BDADLO C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CC=CCC1 ZINC000333774824 387055271 /nfs/dbraw/zinc/05/52/71/387055271.db2.gz SSNCEIXDSLAIEN-ZDUSSCGKSA-N 1 2 233.315 1.957 20 0 BDADLO CC[C@H](C)c1cc(C(=O)NCc2c[nH+]c[nH]2)on1 ZINC000359114954 387056146 /nfs/dbraw/zinc/05/61/46/387056146.db2.gz HKRGIZGUWKPARB-QMMMGPOBSA-N 1 2 248.286 1.841 20 0 BDADLO CC[C@H](C)c1cc(C(=O)NCc2c[nH]c[nH+]2)on1 ZINC000359114954 387056153 /nfs/dbraw/zinc/05/61/53/387056153.db2.gz HKRGIZGUWKPARB-QMMMGPOBSA-N 1 2 248.286 1.841 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CC[C@@H](C)O2)c[nH+]1 ZINC000333786635 387057068 /nfs/dbraw/zinc/05/70/68/387057068.db2.gz WPSGBCUNKRDLEK-DGCLKSJQSA-N 1 2 248.326 1.882 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](Cc2cnccn2)CCO1 ZINC000519101896 387011650 /nfs/dbraw/zinc/01/16/50/387011650.db2.gz OAFDGYHNQQFYAA-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cnccn2)CCO1 ZINC000519101896 387011653 /nfs/dbraw/zinc/01/16/53/387011653.db2.gz OAFDGYHNQQFYAA-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO CCn1c[nH+]cc1CN1CCOCC12CC2 ZINC000334936379 387012725 /nfs/dbraw/zinc/01/27/25/387012725.db2.gz OZHHNANAMYXHEL-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CCCC[C@H]2C)n1 ZINC000331345393 387015999 /nfs/dbraw/zinc/01/59/99/387015999.db2.gz VKZDFGUFPNSLDL-SECBINFHSA-N 1 2 238.287 1.836 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CCCC[C@H]2C)n1 ZINC000331345393 387016001 /nfs/dbraw/zinc/01/60/01/387016001.db2.gz VKZDFGUFPNSLDL-SECBINFHSA-N 1 2 238.287 1.836 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)C1CC1 ZINC000267287421 387016783 /nfs/dbraw/zinc/01/67/83/387016783.db2.gz YVTPAXJEYVKKBK-ZETCQYMHSA-N 1 2 207.277 1.380 20 0 BDADLO COCc1cc(C[NH+]2CC(CC(F)F)C2)no1 ZINC000425365607 387024524 /nfs/dbraw/zinc/02/45/24/387024524.db2.gz MDUWYIBVCWJTSP-UHFFFAOYSA-N 1 2 246.257 1.908 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2cnc(C)s2)C1 ZINC000425376803 387028974 /nfs/dbraw/zinc/02/89/74/387028974.db2.gz YDDQSUOYLKAAOC-UHFFFAOYSA-N 1 2 240.328 1.446 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](O)[C@H]1C ZINC000334981929 387069554 /nfs/dbraw/zinc/06/95/54/387069554.db2.gz UOAGKYYSCSYYGJ-PWSUYJOCSA-N 1 2 249.314 1.189 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000334981930 387070479 /nfs/dbraw/zinc/07/04/79/387070479.db2.gz UOAGKYYSCSYYGJ-ZYHUDNBSSA-N 1 2 249.314 1.189 20 0 BDADLO c1csc(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000336239250 387074423 /nfs/dbraw/zinc/07/44/23/387074423.db2.gz KAFBLLRTWKTEAC-UHFFFAOYSA-N 1 2 220.301 1.397 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[C@@H]1C)CC2 ZINC000369922303 387077065 /nfs/dbraw/zinc/07/70/65/387077065.db2.gz CQUUVOWXWQWASA-WCBMZHEXSA-N 1 2 219.288 1.190 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCCn2cc[nH+]c2)C1(F)F ZINC000359266401 387077710 /nfs/dbraw/zinc/07/77/10/387077710.db2.gz VGHWRMRAZODCQP-BDAKNGLRSA-N 1 2 243.257 1.291 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@](F)(CO)C2)c(C)s1 ZINC000336244825 387081851 /nfs/dbraw/zinc/08/18/51/387081851.db2.gz JYYBQPRAIGDYDF-NSHDSACASA-N 1 2 244.335 1.666 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@](F)(CO)C2)c(C)s1 ZINC000336244825 387081853 /nfs/dbraw/zinc/08/18/53/387081853.db2.gz JYYBQPRAIGDYDF-NSHDSACASA-N 1 2 244.335 1.666 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]2CO)nn1C ZINC000334992362 387082107 /nfs/dbraw/zinc/08/21/07/387082107.db2.gz ARNSAEZSUMQYTN-SECBINFHSA-N 1 2 243.738 1.339 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H]2CO)nn1C ZINC000334992362 387082109 /nfs/dbraw/zinc/08/21/09/387082109.db2.gz ARNSAEZSUMQYTN-SECBINFHSA-N 1 2 243.738 1.339 20 0 BDADLO CCS(=O)(=O)C1C[NH+](C[C@H](C)CC(C)C)C1 ZINC000418067775 387083408 /nfs/dbraw/zinc/08/34/08/387083408.db2.gz BYFSTKLAYJKMQT-LLVKDONJSA-N 1 2 247.404 1.788 20 0 BDADLO CC(C)c1nc(N[C@@H](C)[C@H]2CCOC2)cc[nH+]1 ZINC000359314949 387083610 /nfs/dbraw/zinc/08/36/10/387083610.db2.gz XSJDZVKKJAFOGJ-QWRGUYRKSA-N 1 2 235.331 1.859 20 0 BDADLO O=C(C[NH+]1Cc2ccccc2C1)NCC1CCC1 ZINC000066539586 387087547 /nfs/dbraw/zinc/08/75/47/387087547.db2.gz WJKDWUQKVHNQBK-UHFFFAOYSA-N 1 2 244.338 1.919 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](F)C1 ZINC000336259476 387090414 /nfs/dbraw/zinc/09/04/14/387090414.db2.gz DPVPIMMSBSHXHT-IUCAKERBSA-N 1 2 216.300 1.333 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](F)C1 ZINC000336259476 387090417 /nfs/dbraw/zinc/09/04/17/387090417.db2.gz DPVPIMMSBSHXHT-IUCAKERBSA-N 1 2 216.300 1.333 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)Nc1ccccc1 ZINC000336259819 387090556 /nfs/dbraw/zinc/09/05/56/387090556.db2.gz VJOCCIFBJFXATD-SNVBAGLBSA-N 1 2 222.263 1.669 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)Nc1ccccc1 ZINC000336259819 387090558 /nfs/dbraw/zinc/09/05/58/387090558.db2.gz VJOCCIFBJFXATD-SNVBAGLBSA-N 1 2 222.263 1.669 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000336261770 387095445 /nfs/dbraw/zinc/09/54/45/387095445.db2.gz NYGDEEYKNIGXRY-QMMMGPOBSA-N 1 2 212.322 1.050 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000336261770 387095455 /nfs/dbraw/zinc/09/54/55/387095455.db2.gz NYGDEEYKNIGXRY-QMMMGPOBSA-N 1 2 212.322 1.050 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccccn1 ZINC000335003123 387096815 /nfs/dbraw/zinc/09/68/15/387096815.db2.gz IROYQTAXGIBJMX-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccccn1 ZINC000335003123 387096819 /nfs/dbraw/zinc/09/68/19/387096819.db2.gz IROYQTAXGIBJMX-ZBEGNZNMSA-N 1 2 238.356 1.425 20 0 BDADLO CS[C@@H](C)CCC(=O)Nc1cc[nH+]cc1O ZINC000359447484 387102470 /nfs/dbraw/zinc/10/24/70/387102470.db2.gz RYFDWGJAQFJMMQ-QMMMGPOBSA-N 1 2 240.328 1.679 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478020 387105779 /nfs/dbraw/zinc/10/57/79/387105779.db2.gz ZKSWMXWUWJPYGE-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478020 387105782 /nfs/dbraw/zinc/10/57/82/387105782.db2.gz ZKSWMXWUWJPYGE-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](CF)C2)s1 ZINC000336280007 387111221 /nfs/dbraw/zinc/11/12/21/387111221.db2.gz LOEAAAMJJWJZJL-JTQLQIEISA-N 1 2 244.335 1.930 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](CF)C2)s1 ZINC000336280007 387111227 /nfs/dbraw/zinc/11/12/27/387111227.db2.gz LOEAAAMJJWJZJL-JTQLQIEISA-N 1 2 244.335 1.930 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000333960323 387113549 /nfs/dbraw/zinc/11/35/49/387113549.db2.gz KYPJCLXRNFRKLG-ONGXEEELSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000333960323 387113551 /nfs/dbraw/zinc/11/35/51/387113551.db2.gz KYPJCLXRNFRKLG-ONGXEEELSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)c2ccnn2C)cc[nH+]1 ZINC000335023958 387114601 /nfs/dbraw/zinc/11/46/01/387114601.db2.gz ZEFFXVBKQUOYAW-SNVBAGLBSA-N 1 2 244.298 1.288 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@]1(C)C[C@H]1F ZINC000424870792 387118784 /nfs/dbraw/zinc/11/87/84/387118784.db2.gz VHMXKQBJKVEVFI-LDYMZIIASA-N 1 2 225.267 1.267 20 0 BDADLO C[C@H]1CCCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335027357 387120707 /nfs/dbraw/zinc/12/07/07/387120707.db2.gz GDXNFQVTKQUWOY-UWVGGRQHSA-N 1 2 246.301 1.632 20 0 BDADLO CCOC(=O)C[C@@](C)([NH2+]CC(=O)OC)C(C)C ZINC000186710693 387126727 /nfs/dbraw/zinc/12/67/27/387126727.db2.gz JWZLSZDGVVFEJF-GFCCVEGCSA-N 1 2 245.319 1.117 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)NCc2[nH+]ccn2C)C1 ZINC000334981038 387068421 /nfs/dbraw/zinc/06/84/21/387068421.db2.gz CWDGXOSCLQMDMV-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]c[nH]2)s1 ZINC000359685305 387145961 /nfs/dbraw/zinc/14/59/61/387145961.db2.gz SOLJHHVSDPFSQE-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH]c[nH+]2)s1 ZINC000359685305 387145966 /nfs/dbraw/zinc/14/59/66/387145966.db2.gz SOLJHHVSDPFSQE-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO FC(F)[C@@H]1CCCN1CCn1cc[nH+]c1 ZINC000353169698 387146782 /nfs/dbraw/zinc/14/67/82/387146782.db2.gz FMHKMXHUDSUXMW-VIFPVBQESA-N 1 2 215.247 1.613 20 0 BDADLO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353165928 387148602 /nfs/dbraw/zinc/14/86/02/387148602.db2.gz BSPRSVBWYPCNSX-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CCN(C)C(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353165928 387148607 /nfs/dbraw/zinc/14/86/07/387148607.db2.gz BSPRSVBWYPCNSX-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO Cn1cc(CC[N@@H+]2CCC[C@@H]2C(F)F)cn1 ZINC000353172230 387148895 /nfs/dbraw/zinc/14/88/95/387148895.db2.gz MUDITZQSTOBTLO-SNVBAGLBSA-N 1 2 229.274 1.692 20 0 BDADLO Cn1cc(CC[N@H+]2CCC[C@@H]2C(F)F)cn1 ZINC000353172230 387148899 /nfs/dbraw/zinc/14/88/99/387148899.db2.gz MUDITZQSTOBTLO-SNVBAGLBSA-N 1 2 229.274 1.692 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2ncnn2C)nc1 ZINC000353186605 387153406 /nfs/dbraw/zinc/15/34/06/387153406.db2.gz YNBYOOIVMDWLSS-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO c1nnc2n1CC[N@@H+]([C@@H]1/C=C/CCCCC1)C2 ZINC000336326444 387154426 /nfs/dbraw/zinc/15/44/26/387154426.db2.gz GXTFMJGLMKMZBV-FVOPLDGLSA-N 1 2 232.331 1.983 20 0 BDADLO c1nnc2n1CC[N@H+]([C@@H]1/C=C/CCCCC1)C2 ZINC000336326444 387154430 /nfs/dbraw/zinc/15/44/30/387154430.db2.gz GXTFMJGLMKMZBV-FVOPLDGLSA-N 1 2 232.331 1.983 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000353200613 387155622 /nfs/dbraw/zinc/15/56/22/387155622.db2.gz JLFJDBSHSTZCLH-QMMMGPOBSA-N 1 2 248.277 1.010 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000353200613 387155626 /nfs/dbraw/zinc/15/56/26/387155626.db2.gz JLFJDBSHSTZCLH-QMMMGPOBSA-N 1 2 248.277 1.010 20 0 BDADLO CC(=O)[C@H](C)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359745807 387158133 /nfs/dbraw/zinc/15/81/33/387158133.db2.gz KAFRTJSHQCHJHF-SDDRHHMPSA-N 1 2 243.372 1.560 20 0 BDADLO CC(=O)[C@H](C)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359745807 387158134 /nfs/dbraw/zinc/15/81/34/387158134.db2.gz KAFRTJSHQCHJHF-SDDRHHMPSA-N 1 2 243.372 1.560 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1ncnn1CC(C)C ZINC000353209637 387159620 /nfs/dbraw/zinc/15/96/20/387159620.db2.gz ZXYYNDGCECQWQD-NSHDSACASA-N 1 2 240.351 1.401 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1ncnn1CC(C)C ZINC000353209637 387159625 /nfs/dbraw/zinc/15/96/25/387159625.db2.gz ZXYYNDGCECQWQD-NSHDSACASA-N 1 2 240.351 1.401 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000353258501 387165398 /nfs/dbraw/zinc/16/53/98/387165398.db2.gz UHMYSAUOYNYWFX-IUCAKERBSA-N 1 2 239.323 1.036 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000353258501 387165402 /nfs/dbraw/zinc/16/54/02/387165402.db2.gz UHMYSAUOYNYWFX-IUCAKERBSA-N 1 2 239.323 1.036 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]CC(=O)OC)C12CCCC2 ZINC000085677400 387167693 /nfs/dbraw/zinc/16/76/93/387167693.db2.gz MTWDKPNOCVZKTJ-MNOVXSKESA-N 1 2 241.331 1.487 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)nc1 ZINC000336347161 387176444 /nfs/dbraw/zinc/17/64/44/387176444.db2.gz STUYPPSWFBHVLT-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)nc1 ZINC000336347161 387176450 /nfs/dbraw/zinc/17/64/50/387176450.db2.gz STUYPPSWFBHVLT-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000336349012 387179692 /nfs/dbraw/zinc/17/96/92/387179692.db2.gz UNXHFLSPPZBPIO-JTQLQIEISA-N 1 2 241.722 1.030 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000336349012 387179694 /nfs/dbraw/zinc/17/96/94/387179694.db2.gz UNXHFLSPPZBPIO-JTQLQIEISA-N 1 2 241.722 1.030 20 0 BDADLO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000353336250 387182744 /nfs/dbraw/zinc/18/27/44/387182744.db2.gz NFISLGOMDMBJSP-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO CCCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371280650 387184503 /nfs/dbraw/zinc/18/45/03/387184503.db2.gz RJWHNQIHEPYJRP-JTQLQIEISA-N 1 2 235.331 1.964 20 0 BDADLO CCCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371280650 387184511 /nfs/dbraw/zinc/18/45/11/387184511.db2.gz RJWHNQIHEPYJRP-JTQLQIEISA-N 1 2 235.331 1.964 20 0 BDADLO [NH3+]CC(F)(F)CNC1CCC2(CC2)CC1 ZINC000423339477 387188493 /nfs/dbraw/zinc/18/84/93/387188493.db2.gz IUAFZCYWCLTCPM-UHFFFAOYSA-N 1 2 218.291 1.893 20 0 BDADLO c1cn(Cc2nc(CC3CC3)no2)c[nH+]1 ZINC000359916446 387190331 /nfs/dbraw/zinc/19/03/31/387190331.db2.gz HOONDFRZTMVFNL-UHFFFAOYSA-N 1 2 204.233 1.267 20 0 BDADLO COCCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000493523343 533213445 /nfs/dbraw/zinc/21/34/45/533213445.db2.gz KXJLQJFPLCNKIZ-ONEGZZNKSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000336312727 387139974 /nfs/dbraw/zinc/13/99/74/387139974.db2.gz BKHDPZCCAUEWPW-MWLCHTKSSA-N 1 2 228.267 1.450 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000336312727 387139977 /nfs/dbraw/zinc/13/99/77/387139977.db2.gz BKHDPZCCAUEWPW-MWLCHTKSSA-N 1 2 228.267 1.450 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ccnc(C2CC2)n1 ZINC000571975887 387212986 /nfs/dbraw/zinc/21/29/86/387212986.db2.gz IICYJKLMEOWENI-UHFFFAOYSA-N 1 2 229.287 1.714 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2CCSC2)s1 ZINC000336383551 387214480 /nfs/dbraw/zinc/21/44/80/387214480.db2.gz IFRKKUQVEFTRNX-QMMMGPOBSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2CCSC2)s1 ZINC000336383551 387214486 /nfs/dbraw/zinc/21/44/86/387214486.db2.gz IFRKKUQVEFTRNX-QMMMGPOBSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnc(CN2CCc3c([nH+]cn3C)C2)s1 ZINC000371455217 387217121 /nfs/dbraw/zinc/21/71/21/387217121.db2.gz KLUBQSDHLMQVDX-UHFFFAOYSA-N 1 2 249.343 1.138 20 0 BDADLO Cc1cc(NC[C@@](C)(O)C2CC2)nc(C(C)C)[nH+]1 ZINC000336795774 387222338 /nfs/dbraw/zinc/22/23/38/387222338.db2.gz NEFZQECMEVYUPX-CQSZACIVSA-N 1 2 249.358 1.903 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000360087722 387224134 /nfs/dbraw/zinc/22/41/34/387224134.db2.gz IODMOLUNDSPKKZ-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000360087722 387224140 /nfs/dbraw/zinc/22/41/40/387224140.db2.gz IODMOLUNDSPKKZ-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO Cc1nnc(C[N@@H+]2CCOCC3(CC3)C2)s1 ZINC000360100595 387226519 /nfs/dbraw/zinc/22/65/19/387226519.db2.gz YSSDKQIVEPQLKV-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO Cc1nnc(C[N@H+]2CCOCC3(CC3)C2)s1 ZINC000360100595 387226524 /nfs/dbraw/zinc/22/65/24/387226524.db2.gz YSSDKQIVEPQLKV-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000360115546 387229394 /nfs/dbraw/zinc/22/93/94/387229394.db2.gz NHWFVTSMSFMGGD-ONGXEEELSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360115546 387229397 /nfs/dbraw/zinc/22/93/97/387229397.db2.gz NHWFVTSMSFMGGD-ONGXEEELSA-N 1 2 249.362 1.516 20 0 BDADLO C[C@H]1OCC[C@@]1(C)Nc1[nH+]cnc2c1cnn2C ZINC000230098812 387231555 /nfs/dbraw/zinc/23/15/55/387231555.db2.gz SYGGNVPTGLBILH-PRHODGIISA-N 1 2 247.302 1.343 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C=CCCC1)C1CC1 ZINC000284831358 387233144 /nfs/dbraw/zinc/23/31/44/387233144.db2.gz BIBPHAINWISUNJ-WDEREUQCSA-N 1 2 209.289 1.636 20 0 BDADLO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]2C1)c1c[nH+]c[nH]1 ZINC000336409396 387237808 /nfs/dbraw/zinc/23/78/08/387237808.db2.gz DWSDWCQVXGLUDS-QWRGUYRKSA-N 1 2 247.342 1.946 20 0 BDADLO CCn1ncc(C(=O)Nc2cc[nH+]c(C)c2)c1C ZINC000631255170 387241001 /nfs/dbraw/zinc/24/10/01/387241001.db2.gz VZRSLHDQLOWPOJ-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000360185353 387241614 /nfs/dbraw/zinc/24/16/14/387241614.db2.gz YMQKFDZNWNPEMU-BDAKNGLRSA-N 1 2 207.277 1.462 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@H]1CCCC[C@H]1O)CC2 ZINC000371700069 387241658 /nfs/dbraw/zinc/24/16/58/387241658.db2.gz MGLUKLFUBLMABS-NWDGAFQWSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@H]1CCCC[C@H]1O)CC2 ZINC000371700069 387241662 /nfs/dbraw/zinc/24/16/62/387241662.db2.gz MGLUKLFUBLMABS-NWDGAFQWSA-N 1 2 235.331 1.311 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000336416110 387242812 /nfs/dbraw/zinc/24/28/12/387242812.db2.gz PRIXFXLJZQRLTP-STQMWFEESA-N 1 2 247.342 1.922 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cnccc1C ZINC000353626691 387244774 /nfs/dbraw/zinc/24/47/74/387244774.db2.gz QLNFJRPVYGIBDL-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cnccc1C ZINC000353626691 387244776 /nfs/dbraw/zinc/24/47/76/387244776.db2.gz QLNFJRPVYGIBDL-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCC[C@H](F)C1 ZINC000424587275 387194885 /nfs/dbraw/zinc/19/48/85/387194885.db2.gz TZDVQKCEIOKLON-QWRGUYRKSA-N 1 2 239.294 1.528 20 0 BDADLO c1nc([C@H]2CCCN2Cc2c[nH+]c[nH]2)no1 ZINC000371383550 387201462 /nfs/dbraw/zinc/20/14/62/387201462.db2.gz OOOJLRYWWAHLHV-SECBINFHSA-N 1 2 219.248 1.130 20 0 BDADLO c1nc([C@H]2CCCN2Cc2c[nH]c[nH+]2)no1 ZINC000371383550 387201464 /nfs/dbraw/zinc/20/14/64/387201464.db2.gz OOOJLRYWWAHLHV-SECBINFHSA-N 1 2 219.248 1.130 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000336481240 387310079 /nfs/dbraw/zinc/31/00/79/387310079.db2.gz TXDASTCDCWTXLJ-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000336481240 387310083 /nfs/dbraw/zinc/31/00/83/387310083.db2.gz TXDASTCDCWTXLJ-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccon2)[nH+]1 ZINC000572168699 387255718 /nfs/dbraw/zinc/25/57/18/387255718.db2.gz IIHAIQWKCSIYTL-UHFFFAOYSA-N 1 2 234.259 1.371 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)[C@H](C)C1 ZINC000336430373 387256276 /nfs/dbraw/zinc/25/62/76/387256276.db2.gz ZZTPNHYPKFJZAI-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)[C@H](C)C1 ZINC000336430373 387256281 /nfs/dbraw/zinc/25/62/81/387256281.db2.gz ZZTPNHYPKFJZAI-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cnccn1 ZINC000424720934 387257641 /nfs/dbraw/zinc/25/76/41/387257641.db2.gz LJWOTEMIZRYUNX-UHFFFAOYSA-N 1 2 217.276 1.288 20 0 BDADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000353689522 387258681 /nfs/dbraw/zinc/25/86/81/387258681.db2.gz QBDUJIUHDBGULZ-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@@H]2C2CC2)cc[nH+]1 ZINC000230309102 387258827 /nfs/dbraw/zinc/25/88/27/387258827.db2.gz KQRPRTWHGXIOFW-ZYHUDNBSSA-N 1 2 219.288 1.764 20 0 BDADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1cncs1 ZINC000120654801 387259059 /nfs/dbraw/zinc/25/90/59/387259059.db2.gz QWYMMLOZVNUXIC-UHFFFAOYSA-N 1 2 241.360 1.490 20 0 BDADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cncs1 ZINC000120654801 387259064 /nfs/dbraw/zinc/25/90/64/387259064.db2.gz QWYMMLOZVNUXIC-UHFFFAOYSA-N 1 2 241.360 1.490 20 0 BDADLO Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000353689520 387259496 /nfs/dbraw/zinc/25/94/96/387259496.db2.gz QBDUJIUHDBGULZ-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@](C)(F)C2)cn1 ZINC000336437451 387262325 /nfs/dbraw/zinc/26/23/25/387262325.db2.gz IYZNYZPLAYRGPQ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@](C)(F)C2)cn1 ZINC000336437451 387262327 /nfs/dbraw/zinc/26/23/27/387262327.db2.gz IYZNYZPLAYRGPQ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cccn1C ZINC000353806506 387276702 /nfs/dbraw/zinc/27/67/02/387276702.db2.gz PXAAPLHKUHJENV-GDLVEWKHSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cccn1C ZINC000353806506 387276704 /nfs/dbraw/zinc/27/67/04/387276704.db2.gz PXAAPLHKUHJENV-GDLVEWKHSA-N 1 2 240.372 1.366 20 0 BDADLO CO[C@H](C)C[N@H+](Cc1cn[nH]c1C)C(C)C ZINC000353795546 387277184 /nfs/dbraw/zinc/27/71/84/387277184.db2.gz MRPPHCPCUCKMLL-SNVBAGLBSA-N 1 2 225.336 1.963 20 0 BDADLO CO[C@H](C)C[N@@H+](Cc1cn[nH]c1C)C(C)C ZINC000353795546 387277188 /nfs/dbraw/zinc/27/71/88/387277188.db2.gz MRPPHCPCUCKMLL-SNVBAGLBSA-N 1 2 225.336 1.963 20 0 BDADLO C[N@H+](Cc1ccon1)CC1=CCCOC1 ZINC000353807795 387278008 /nfs/dbraw/zinc/27/80/08/387278008.db2.gz RQHDDPSDSNKVKP-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO C[N@@H+](Cc1ccon1)CC1=CCCOC1 ZINC000353807795 387278020 /nfs/dbraw/zinc/27/80/20/387278020.db2.gz RQHDDPSDSNKVKP-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CC1=CCCOC1 ZINC000353800501 387278129 /nfs/dbraw/zinc/27/81/29/387278129.db2.gz BPCZUWVIXUDHMX-UVWXRNBGSA-N 1 2 243.372 1.174 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CC1=CCCOC1 ZINC000353800501 387278133 /nfs/dbraw/zinc/27/81/33/387278133.db2.gz BPCZUWVIXUDHMX-UVWXRNBGSA-N 1 2 243.372 1.174 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C(C)C)C2)[nH]1 ZINC000336453432 387280773 /nfs/dbraw/zinc/28/07/73/387280773.db2.gz RGPGOUOPWGVKPW-JTQLQIEISA-N 1 2 240.376 1.687 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C(C)C)C2)[nH]1 ZINC000336453432 387280774 /nfs/dbraw/zinc/28/07/74/387280774.db2.gz RGPGOUOPWGVKPW-JTQLQIEISA-N 1 2 240.376 1.687 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)c(F)c1 ZINC000336454506 387282153 /nfs/dbraw/zinc/28/21/53/387282153.db2.gz ZLGQWJLNFASDMC-UHFFFAOYSA-N 1 2 246.241 1.909 20 0 BDADLO Cc1cc(NC(=O)CSC2CC2)c(C)c[nH+]1 ZINC000572233849 387284262 /nfs/dbraw/zinc/28/42/62/387284262.db2.gz PNPNLJRVSLYZSH-UHFFFAOYSA-N 1 2 236.340 1.954 20 0 BDADLO Cc1ccncc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC000360474291 387292939 /nfs/dbraw/zinc/29/29/39/387292939.db2.gz OCFLDIUOGGHHKU-UHFFFAOYSA-N 1 2 244.298 1.245 20 0 BDADLO c1cn2c([nH+]1)CN(Cc1ccsc1)CC2 ZINC000336471942 387301486 /nfs/dbraw/zinc/30/14/86/387301486.db2.gz IBLOULBPYUSOIT-UHFFFAOYSA-N 1 2 219.313 1.960 20 0 BDADLO FCC(CF)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000514911446 387305463 /nfs/dbraw/zinc/30/54/63/387305463.db2.gz WHRPUGIJYDNKDY-UHFFFAOYSA-N 1 2 225.242 1.960 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCCCF ZINC000360815440 387354129 /nfs/dbraw/zinc/35/41/29/387354129.db2.gz GAFGCZPCXGENKC-UHFFFAOYSA-N 1 2 213.256 1.139 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336534158 387356988 /nfs/dbraw/zinc/35/69/88/387356988.db2.gz XFIONDSRIDQLHX-PHIMTYICSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336534158 387356991 /nfs/dbraw/zinc/35/69/91/387356991.db2.gz XFIONDSRIDQLHX-PHIMTYICSA-N 1 2 221.304 1.092 20 0 BDADLO C[C@H]1OCC[C@@]12C[N@H+](C/C=C/Cl)CCO2 ZINC000373403043 387363660 /nfs/dbraw/zinc/36/36/60/387363660.db2.gz MGOCIUZKGSWAQY-JTNORFRNSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@H]1OCC[C@@]12C[N@@H+](C/C=C/Cl)CCO2 ZINC000373403043 387363666 /nfs/dbraw/zinc/36/36/66/387363666.db2.gz MGOCIUZKGSWAQY-JTNORFRNSA-N 1 2 231.723 1.619 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](CO)[C@@H]2C)cc[nH+]1 ZINC000336548468 387369524 /nfs/dbraw/zinc/36/95/24/387369524.db2.gz FLDROYIGTOKWNK-WDEREUQCSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1nccn1C ZINC000336557287 387379716 /nfs/dbraw/zinc/37/97/16/387379716.db2.gz ZRVVXNQEKKKCOV-GXSJLCMTSA-N 1 2 245.330 1.871 20 0 BDADLO FC1(F)CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336497723 387323219 /nfs/dbraw/zinc/32/32/19/387323219.db2.gz FHCWFIJKGPKELA-VIFPVBQESA-N 1 2 205.248 1.754 20 0 BDADLO FC1(F)CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336497723 387323224 /nfs/dbraw/zinc/32/32/24/387323224.db2.gz FHCWFIJKGPKELA-VIFPVBQESA-N 1 2 205.248 1.754 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000336507091 387331346 /nfs/dbraw/zinc/33/13/46/387331346.db2.gz AXKUKTSDWUNYJP-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1C[C@@H]1CCCO1 ZINC000336507091 387331348 /nfs/dbraw/zinc/33/13/48/387331348.db2.gz AXKUKTSDWUNYJP-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2c1CCO2 ZINC000336508891 387333642 /nfs/dbraw/zinc/33/36/42/387333642.db2.gz OFBJHAXGSSRBTD-UHFFFAOYSA-N 1 2 229.283 1.967 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000372932924 387337099 /nfs/dbraw/zinc/33/70/99/387337099.db2.gz XYGSBJLRBHFXOG-ZDUSSCGKSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2ncccn2)c(C)n1 ZINC000515171328 387343684 /nfs/dbraw/zinc/34/36/84/387343684.db2.gz PAUYCTAMGCKFPX-SECBINFHSA-N 1 2 243.314 1.734 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H](C)C2CC2)nc[nH+]1 ZINC000354202490 387345984 /nfs/dbraw/zinc/34/59/84/387345984.db2.gz GXJCQSACMOQILG-BDAKNGLRSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H](C)C2CC2)[nH+]cn1 ZINC000354202490 387345990 /nfs/dbraw/zinc/34/59/90/387345990.db2.gz GXJCQSACMOQILG-BDAKNGLRSA-N 1 2 236.319 1.480 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352664787 387426139 /nfs/dbraw/zinc/42/61/39/387426139.db2.gz CRIBHEFARUEUTL-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)no1 ZINC000352664787 387426141 /nfs/dbraw/zinc/42/61/41/387426141.db2.gz CRIBHEFARUEUTL-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000304112533 387438395 /nfs/dbraw/zinc/43/83/95/387438395.db2.gz MXEYADJTWPRPSD-WDEREUQCSA-N 1 2 239.319 1.503 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000304112533 387438398 /nfs/dbraw/zinc/43/83/98/387438398.db2.gz MXEYADJTWPRPSD-WDEREUQCSA-N 1 2 239.319 1.503 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CC[S@@]1=O ZINC000361318767 387439052 /nfs/dbraw/zinc/43/90/52/387439052.db2.gz PIPQVSVUQYMSHP-WFTWPBCJSA-N 1 2 249.379 1.995 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)CC[S@@]1=O ZINC000361318767 387439054 /nfs/dbraw/zinc/43/90/54/387439054.db2.gz PIPQVSVUQYMSHP-WFTWPBCJSA-N 1 2 249.379 1.995 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H](C)CCOC)C(=O)OCC ZINC000432920010 387442015 /nfs/dbraw/zinc/44/20/15/387442015.db2.gz YETGJMKCZLCKAJ-BAEOLTKYSA-N 1 2 243.347 1.899 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000361334070 387443026 /nfs/dbraw/zinc/44/30/26/387443026.db2.gz FPUCBDGAIOZPFU-WDEREUQCSA-N 1 2 240.351 1.263 20 0 BDADLO CCCCc1nc(C[N@H+](C)CC(C)(C)O)no1 ZINC000304141624 387443035 /nfs/dbraw/zinc/44/30/35/387443035.db2.gz VKUFURUEGILRNT-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](C)CC(C)(C)O)no1 ZINC000304141624 387443040 /nfs/dbraw/zinc/44/30/40/387443040.db2.gz VKUFURUEGILRNT-UHFFFAOYSA-N 1 2 241.335 1.615 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374349515 387445667 /nfs/dbraw/zinc/44/56/67/387445667.db2.gz ZKFNSOLUFAAUSJ-RAIGVLPGSA-N 1 2 245.326 1.211 20 0 BDADLO CCC[C@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OC ZINC000354920093 387449825 /nfs/dbraw/zinc/44/98/25/387449825.db2.gz KBDJEPHZPKADOX-MCIGGMRASA-N 1 2 243.347 1.874 20 0 BDADLO CC1(CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000423934762 387454590 /nfs/dbraw/zinc/45/45/90/387454590.db2.gz ZSHBWHJIZMOLTA-QMMMGPOBSA-N 1 2 232.274 1.290 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1cnccc1C ZINC000361412653 387457683 /nfs/dbraw/zinc/45/76/83/387457683.db2.gz LHYZIPAPLUFHPQ-ZDUSSCGKSA-N 1 2 248.326 1.773 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1cnccc1C ZINC000361412653 387457685 /nfs/dbraw/zinc/45/76/85/387457685.db2.gz LHYZIPAPLUFHPQ-ZDUSSCGKSA-N 1 2 248.326 1.773 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2nnnn2C)c(C)c1 ZINC000354994683 387462413 /nfs/dbraw/zinc/46/24/13/387462413.db2.gz SESAHPIOCIYNDT-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2nnnn2C)c(C)c1 ZINC000354994683 387462418 /nfs/dbraw/zinc/46/24/18/387462418.db2.gz SESAHPIOCIYNDT-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000515499256 387390856 /nfs/dbraw/zinc/39/08/56/387390856.db2.gz DHGMFVOPJDNOEE-VHSXEESVSA-N 1 2 236.319 1.939 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(F)cn1 ZINC000354982389 387460478 /nfs/dbraw/zinc/46/04/78/387460478.db2.gz VDWAJJRLUJNNSS-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000083370275 387404780 /nfs/dbraw/zinc/40/47/80/387404780.db2.gz ZJUQMOVGPBNURY-NSHDSACASA-N 1 2 242.269 1.881 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1nc(C)[nH+]cc1C ZINC000515671677 387411199 /nfs/dbraw/zinc/41/11/99/387411199.db2.gz RYTQSUVSSXRXQN-MNOVXSKESA-N 1 2 205.305 1.973 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n(C)n1 ZINC000572422001 387418385 /nfs/dbraw/zinc/41/83/85/387418385.db2.gz PMVBMSCUADIQKM-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n(C)n1 ZINC000572422001 387418391 /nfs/dbraw/zinc/41/83/91/387418391.db2.gz PMVBMSCUADIQKM-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO CC(=O)CCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000516303978 387498009 /nfs/dbraw/zinc/49/80/09/387498009.db2.gz OWWFNFQVWBGIHG-UHFFFAOYSA-N 1 2 237.303 1.520 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000361580123 387501827 /nfs/dbraw/zinc/50/18/27/387501827.db2.gz ZGZRVTAJDQWTJX-ONGXEEELSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000361580123 387501829 /nfs/dbraw/zinc/50/18/29/387501829.db2.gz ZGZRVTAJDQWTJX-ONGXEEELSA-N 1 2 247.302 1.583 20 0 BDADLO CC(=O)C1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000421922297 387505042 /nfs/dbraw/zinc/50/50/42/387505042.db2.gz TZZYUOWHBZWTIM-UHFFFAOYSA-N 1 2 246.310 1.684 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)[C@H]1CCOC1 ZINC000361587924 387505240 /nfs/dbraw/zinc/50/52/40/387505240.db2.gz LFHQUSOCLHWJSP-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)[C@H]1CCOC1 ZINC000361587924 387505247 /nfs/dbraw/zinc/50/52/47/387505247.db2.gz LFHQUSOCLHWJSP-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000421922729 387505324 /nfs/dbraw/zinc/50/53/24/387505324.db2.gz UNPNYWNFLCLUIK-VHSXEESVSA-N 1 2 235.331 1.992 20 0 BDADLO CC[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000421922729 387505328 /nfs/dbraw/zinc/50/53/28/387505328.db2.gz UNPNYWNFLCLUIK-VHSXEESVSA-N 1 2 235.331 1.992 20 0 BDADLO CSCCCC(=O)NCc1c[nH+]cn1C ZINC000355260403 387508192 /nfs/dbraw/zinc/50/81/92/387508192.db2.gz YVNFXKSEMQSMJS-UHFFFAOYSA-N 1 2 227.333 1.180 20 0 BDADLO CS[C@H](C)CCC(=O)NCc1c[nH+]cn1C ZINC000355263494 387508210 /nfs/dbraw/zinc/50/82/10/387508210.db2.gz IOMXKNZUPLHHMU-SECBINFHSA-N 1 2 241.360 1.568 20 0 BDADLO CSCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000375084091 387510083 /nfs/dbraw/zinc/51/00/83/387510083.db2.gz KNVSCUNVZTXBQI-UHFFFAOYSA-N 1 2 242.348 1.053 20 0 BDADLO CCOc1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000290107870 387513042 /nfs/dbraw/zinc/51/30/42/387513042.db2.gz KSVFEBCJPNJQGD-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000361646911 387515030 /nfs/dbraw/zinc/51/50/30/387515030.db2.gz WQEZQICZPLDHOZ-WDEREUQCSA-N 1 2 245.319 1.023 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000361646911 387515033 /nfs/dbraw/zinc/51/50/33/387515033.db2.gz WQEZQICZPLDHOZ-WDEREUQCSA-N 1 2 245.319 1.023 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000355296310 387516377 /nfs/dbraw/zinc/51/63/77/387516377.db2.gz SMBMPCJSVKNIEH-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO Cc1nnc2n1CC[N@@H+](Cc1ccc(F)nc1)C2 ZINC000375286146 387521117 /nfs/dbraw/zinc/52/11/17/387521117.db2.gz IJSJUQPBAIFMGP-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nnc2n1CC[N@H+](Cc1ccc(F)nc1)C2 ZINC000375286146 387521121 /nfs/dbraw/zinc/52/11/21/387521121.db2.gz IJSJUQPBAIFMGP-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CN(C)c1noc(C[NH+]2CCCCC2)n1 ZINC000192694983 387525564 /nfs/dbraw/zinc/52/55/64/387525564.db2.gz FPOXTJCEVDRJKZ-UHFFFAOYSA-N 1 2 210.281 1.122 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375317969 387526519 /nfs/dbraw/zinc/52/65/19/387526519.db2.gz JCGFAUBXQHWDPH-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000375317969 387526525 /nfs/dbraw/zinc/52/65/25/387526525.db2.gz JCGFAUBXQHWDPH-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO c1cnc(C[NH+]2CCC(OCC3CC3)CC2)nc1 ZINC000361827609 387540282 /nfs/dbraw/zinc/54/02/82/387540282.db2.gz CYBMUIFXJJTLRD-UHFFFAOYSA-N 1 2 247.342 1.868 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1cnccc1C ZINC000361438095 387462784 /nfs/dbraw/zinc/46/27/84/387462784.db2.gz UPLODAXOOSEEFZ-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1cnccc1C ZINC000361438095 387462787 /nfs/dbraw/zinc/46/27/87/387462787.db2.gz UPLODAXOOSEEFZ-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1N(Cc2cn[nH]c2)CC1(C)C ZINC000648680370 387469431 /nfs/dbraw/zinc/46/94/31/387469431.db2.gz DXVSQYDUQOWDCV-NSHDSACASA-N 1 2 245.330 1.726 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CC1CCCC1)[C@H](C)O ZINC000355043127 387470511 /nfs/dbraw/zinc/47/05/11/387470511.db2.gz UFLKYGJQNRIHCK-JBLDHEPKSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H](C)O)s1 ZINC000361506336 387475268 /nfs/dbraw/zinc/47/52/68/387475268.db2.gz FIOCACHLGQVVKF-RNFRBKRXSA-N 1 2 215.322 1.220 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H](C)O)s1 ZINC000361506336 387475271 /nfs/dbraw/zinc/47/52/71/387475271.db2.gz FIOCACHLGQVVKF-RNFRBKRXSA-N 1 2 215.322 1.220 20 0 BDADLO COC[C@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OC ZINC000355080319 387477231 /nfs/dbraw/zinc/47/72/31/387477231.db2.gz DWIXSUHSIJLTOZ-PWSUYJOCSA-N 1 2 243.347 1.733 20 0 BDADLO COC[C@@H](C)[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000355089909 387478235 /nfs/dbraw/zinc/47/82/35/387478235.db2.gz GKLLZWZDXZXMMV-MRVPVSSYSA-N 1 2 237.278 1.581 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2COc3cccc(F)c32)cn1 ZINC000374677681 387479813 /nfs/dbraw/zinc/47/98/13/387479813.db2.gz JQKMYMAYVOPXGH-LLVKDONJSA-N 1 2 247.273 1.783 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CCC(C)C)CC2 ZINC000374695079 387482819 /nfs/dbraw/zinc/48/28/19/387482819.db2.gz RMODEDINZFALLW-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cccnc1C)CC2 ZINC000374697110 387483775 /nfs/dbraw/zinc/48/37/75/387483775.db2.gz FFFUZPXRFOVITF-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cccnc1C)CC2 ZINC000374697110 387483779 /nfs/dbraw/zinc/48/37/79/387483779.db2.gz FFFUZPXRFOVITF-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO CC[N@@H+](Cc1noc(C2CC2)n1)C[C@@H](C)OC ZINC000361559297 387489387 /nfs/dbraw/zinc/48/93/87/387489387.db2.gz PCBCBKVVXOPKRQ-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@H+](Cc1noc(C2CC2)n1)C[C@@H](C)OC ZINC000361559297 387489393 /nfs/dbraw/zinc/48/93/93/387489393.db2.gz PCBCBKVVXOPKRQ-SECBINFHSA-N 1 2 239.319 1.804 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@H+]1C/C=C/c1ccncc1 ZINC000426151806 387542671 /nfs/dbraw/zinc/54/26/71/387542671.db2.gz XYSGHUDXGDRLHK-PCAWENJQSA-N 1 2 245.326 1.257 20 0 BDADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C/C=C/c1ccncc1 ZINC000426151806 387542675 /nfs/dbraw/zinc/54/26/75/387542675.db2.gz XYSGHUDXGDRLHK-PCAWENJQSA-N 1 2 245.326 1.257 20 0 BDADLO FC1(C[NH+]2CCN(Cc3ccccn3)CC2)CC1 ZINC000527509460 387586560 /nfs/dbraw/zinc/58/65/60/387586560.db2.gz JGLIFVQMXNYWKN-UHFFFAOYSA-N 1 2 249.333 1.701 20 0 BDADLO FC1(CN2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000527509460 387586563 /nfs/dbraw/zinc/58/65/63/387586563.db2.gz JGLIFVQMXNYWKN-UHFFFAOYSA-N 1 2 249.333 1.701 20 0 BDADLO CC[C@H](C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000422227936 387587485 /nfs/dbraw/zinc/58/74/85/387587485.db2.gz OWUAGMZZFOEKKB-JTQLQIEISA-N 1 2 238.335 1.608 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCOCC[C@H]1C ZINC000362252993 387589184 /nfs/dbraw/zinc/58/91/84/387589184.db2.gz DUJFMLMYFVIRQB-LLVKDONJSA-N 1 2 249.314 1.455 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(C)n1 ZINC000426753156 387589664 /nfs/dbraw/zinc/58/96/64/387589664.db2.gz CDHRBZGUMOADGS-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(C)n1 ZINC000426753156 387589666 /nfs/dbraw/zinc/58/96/66/387589666.db2.gz CDHRBZGUMOADGS-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399512777 387592611 /nfs/dbraw/zinc/59/26/11/387592611.db2.gz ZVBGPVOBFUPSQD-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399512777 387592615 /nfs/dbraw/zinc/59/26/15/387592615.db2.gz ZVBGPVOBFUPSQD-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO COC1(C)C[NH+](Cc2cnn(C(C)C)c2)C1 ZINC000362313834 387593695 /nfs/dbraw/zinc/59/36/95/387593695.db2.gz XMHZRDBSUZSNLN-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCCO1 ZINC000122747453 387593698 /nfs/dbraw/zinc/59/36/98/387593698.db2.gz GJRQAESJHJWURY-LLVKDONJSA-N 1 2 220.272 1.898 20 0 BDADLO COC1(C)C[NH+](Cc2ccccc2NC(C)=O)C1 ZINC000362321694 387595944 /nfs/dbraw/zinc/59/59/44/387595944.db2.gz KZWIZCZZRRZYOK-UHFFFAOYSA-N 1 2 248.326 1.866 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC000422554479 387599446 /nfs/dbraw/zinc/59/94/46/387599446.db2.gz XIQYOYLRBOYFJR-VIFPVBQESA-N 1 2 247.254 1.300 20 0 BDADLO Cn1cc[nH+]c1-c1cccc(CNC(N)=O)c1 ZINC000362357558 387600282 /nfs/dbraw/zinc/60/02/82/387600282.db2.gz JQWOPQUSHQGSBK-UHFFFAOYSA-N 1 2 230.271 1.255 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000355997532 387602762 /nfs/dbraw/zinc/60/27/62/387602762.db2.gz ZQPHBSMNWDUNIR-ONGXEEELSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccn1 ZINC000527538081 387605450 /nfs/dbraw/zinc/60/54/50/387605450.db2.gz BEWCVBYKXDJOPA-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)ccn1 ZINC000527538081 387605453 /nfs/dbraw/zinc/60/54/53/387605453.db2.gz BEWCVBYKXDJOPA-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362386498 387606709 /nfs/dbraw/zinc/60/67/09/387606709.db2.gz SRZHZPSRIFADIZ-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362386498 387606711 /nfs/dbraw/zinc/60/67/11/387606711.db2.gz SRZHZPSRIFADIZ-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO Cc1ccc([C@H](C)[N@H+](C)Cc2nnnn2C)cc1 ZINC000356028534 387607741 /nfs/dbraw/zinc/60/77/41/387607741.db2.gz JJGRLNJMPAXTCO-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2nnnn2C)cc1 ZINC000356028534 387607745 /nfs/dbraw/zinc/60/77/45/387607745.db2.gz JJGRLNJMPAXTCO-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)ccn1 ZINC000527540639 387611049 /nfs/dbraw/zinc/61/10/49/387611049.db2.gz RZENURMQOVVZQU-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)ccn1 ZINC000527540639 387611052 /nfs/dbraw/zinc/61/10/52/387611052.db2.gz RZENURMQOVVZQU-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO CC(C)(C)NC(=O)COc1cc[nH+]cc1 ZINC000356089158 387615699 /nfs/dbraw/zinc/61/56/99/387615699.db2.gz FNDNJMHCDBGRAO-UHFFFAOYSA-N 1 2 208.261 1.375 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cc(F)ccn1 ZINC000527555578 387620115 /nfs/dbraw/zinc/62/01/15/387620115.db2.gz UUEYWQBLTXVKLG-UHFFFAOYSA-N 1 2 248.261 1.836 20 0 BDADLO CCN(C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000376388131 387626905 /nfs/dbraw/zinc/62/69/05/387626905.db2.gz XEFMEKUAGMNNLI-SNVBAGLBSA-N 1 2 236.319 1.168 20 0 BDADLO CS(=O)(=O)[C@H]1CCCC[N@H+](CC2(F)CC2)C1 ZINC000527237563 387546534 /nfs/dbraw/zinc/54/65/34/387546534.db2.gz VOGSFXOHFBNAAI-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO CS(=O)(=O)[C@H]1CCCC[N@@H+](CC2(F)CC2)C1 ZINC000527237563 387546539 /nfs/dbraw/zinc/54/65/39/387546539.db2.gz VOGSFXOHFBNAAI-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO CCOCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426257241 387551864 /nfs/dbraw/zinc/55/18/64/387551864.db2.gz RGNINWMVYRVIBC-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CCOCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426257241 387551869 /nfs/dbraw/zinc/55/18/69/387551869.db2.gz RGNINWMVYRVIBC-LBPRGKRZSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)c1nnc2n1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000361941708 387554735 /nfs/dbraw/zinc/55/47/35/387554735.db2.gz SVOYZFSYPSXJNF-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO Cc1cc(NCc2[nH]cc[nH+]2)nn1C(C)C ZINC000422119818 387572502 /nfs/dbraw/zinc/57/25/02/387572502.db2.gz LHXCVFJTZLRWCI-UHFFFAOYSA-N 1 2 219.292 1.530 20 0 BDADLO Cc1c[nH+]c(CNc2cc(C)n(C(C)C)n2)n1C ZINC000422116794 387573330 /nfs/dbraw/zinc/57/33/30/387573330.db2.gz DYRNBOZGNLNEPL-UHFFFAOYSA-N 1 2 247.346 1.848 20 0 BDADLO CCC[C@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000362107409 387573745 /nfs/dbraw/zinc/57/37/45/387573745.db2.gz URETXFVKYUFJJS-VIFPVBQESA-N 1 2 224.308 1.236 20 0 BDADLO CCC[C@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000362107409 387573748 /nfs/dbraw/zinc/57/37/48/387573748.db2.gz URETXFVKYUFJJS-VIFPVBQESA-N 1 2 224.308 1.236 20 0 BDADLO CCC[C@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000362107409 387573751 /nfs/dbraw/zinc/57/37/51/387573751.db2.gz URETXFVKYUFJJS-VIFPVBQESA-N 1 2 224.308 1.236 20 0 BDADLO CCC[C@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000362107409 387573754 /nfs/dbraw/zinc/57/37/54/387573754.db2.gz URETXFVKYUFJJS-VIFPVBQESA-N 1 2 224.308 1.236 20 0 BDADLO Cc1nc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)no1 ZINC000305191228 387575356 /nfs/dbraw/zinc/57/53/56/387575356.db2.gz CZKFLFHEBPILGR-WPRPVWTQSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)no1 ZINC000305191228 387575358 /nfs/dbraw/zinc/57/53/58/387575358.db2.gz CZKFLFHEBPILGR-WPRPVWTQSA-N 1 2 225.292 1.113 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@H]2CCO)no1 ZINC000336691436 387579960 /nfs/dbraw/zinc/57/99/60/387579960.db2.gz HBCCRMXLVRDAGF-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@H]2CCO)no1 ZINC000336691436 387579964 /nfs/dbraw/zinc/57/99/64/387579964.db2.gz HBCCRMXLVRDAGF-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CS[C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000124725030 387631638 /nfs/dbraw/zinc/63/16/38/387631638.db2.gz SIDKCNLGXHKECF-SECBINFHSA-N 1 2 228.361 1.045 20 0 BDADLO O[C@@H](C[N@@H+]1Cc2cccnc2C1)CC1(O)CCC1 ZINC000528493854 387634371 /nfs/dbraw/zinc/63/43/71/387634371.db2.gz IPDPETQREIQVPU-GFCCVEGCSA-N 1 2 248.326 1.063 20 0 BDADLO O[C@@H](C[N@H+]1Cc2cccnc2C1)CC1(O)CCC1 ZINC000528493854 387634377 /nfs/dbraw/zinc/63/43/77/387634377.db2.gz IPDPETQREIQVPU-GFCCVEGCSA-N 1 2 248.326 1.063 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569774 387634974 /nfs/dbraw/zinc/63/49/74/387634974.db2.gz LHJLDTGOBIVHOT-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569774 387634976 /nfs/dbraw/zinc/63/49/76/387634976.db2.gz LHJLDTGOBIVHOT-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000356383575 387651945 /nfs/dbraw/zinc/65/19/45/387651945.db2.gz FIRRQYSTPVUJBX-QMMMGPOBSA-N 1 2 249.236 1.588 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422750339 387656039 /nfs/dbraw/zinc/65/60/39/387656039.db2.gz CTWLYAKQRNDCEE-RDBSUJKOSA-N 1 2 239.407 1.720 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000362781158 387657264 /nfs/dbraw/zinc/65/72/64/387657264.db2.gz LGINXCLLXDGBQQ-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000362851552 387664466 /nfs/dbraw/zinc/66/44/66/387664466.db2.gz FZJDLVXFAZDTAO-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000362851552 387664467 /nfs/dbraw/zinc/66/44/67/387664467.db2.gz FZJDLVXFAZDTAO-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)OC)C1CC1 ZINC000126169555 387673221 /nfs/dbraw/zinc/67/32/21/387673221.db2.gz MKKALXTYJZKSOO-NWDGAFQWSA-N 1 2 243.347 1.589 20 0 BDADLO CCC[N@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440707028 387673628 /nfs/dbraw/zinc/67/36/28/387673628.db2.gz UDQOFVNTBCBXQA-UHFFFAOYSA-N 1 2 237.229 1.077 20 0 BDADLO CCC[N@@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440707028 387673632 /nfs/dbraw/zinc/67/36/32/387673632.db2.gz UDQOFVNTBCBXQA-UHFFFAOYSA-N 1 2 237.229 1.077 20 0 BDADLO CCOCCN1CC[NH+](C[C@@H](F)CC)CC1 ZINC000440711668 387676648 /nfs/dbraw/zinc/67/66/48/387676648.db2.gz IWLXRPVIFVZUPO-LBPRGKRZSA-N 1 2 232.343 1.389 20 0 BDADLO CC[C@H](F)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000440716259 387680787 /nfs/dbraw/zinc/68/07/87/387680787.db2.gz XZVHNHOXKNTZJG-VIFPVBQESA-N 1 2 218.316 1.581 20 0 BDADLO CC[C@H](F)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000440716259 387680794 /nfs/dbraw/zinc/68/07/94/387680794.db2.gz XZVHNHOXKNTZJG-VIFPVBQESA-N 1 2 218.316 1.581 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(c2cccnn2)CC1 ZINC000440713651 387681342 /nfs/dbraw/zinc/68/13/42/387681342.db2.gz OXJJOZQQTZMNRC-LLVKDONJSA-N 1 2 238.310 1.347 20 0 BDADLO CCn1ncc(C[NH2+]Cc2c(C)noc2C)n1 ZINC000527733128 387682234 /nfs/dbraw/zinc/68/22/34/387682234.db2.gz HTFJZHUFXSUCJL-UHFFFAOYSA-N 1 2 235.291 1.193 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCCCC1 ZINC000363078447 387689132 /nfs/dbraw/zinc/68/91/32/387689132.db2.gz SFTPMYOOFNBPEH-GFCCVEGCSA-N 1 2 247.342 1.848 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000356655347 387690329 /nfs/dbraw/zinc/69/03/29/387690329.db2.gz DCKNYCHJTJGIEI-ZJUUUORDSA-N 1 2 239.294 1.310 20 0 BDADLO C[C@H](NCc1[nH]cc[nH+]1)c1ncccc1F ZINC000527827067 387745136 /nfs/dbraw/zinc/74/51/36/387745136.db2.gz ZJXFKBUPJYGGIL-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCC2(C)C)C1 ZINC000521458708 387747878 /nfs/dbraw/zinc/74/78/78/387747878.db2.gz KFFDOWWTMFNEBQ-SNVBAGLBSA-N 1 2 224.348 1.633 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000367787203 387752108 /nfs/dbraw/zinc/75/21/08/387752108.db2.gz WWPFIIYVJGAYDV-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CO[C@H](C)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000367787203 387752112 /nfs/dbraw/zinc/75/21/12/387752112.db2.gz WWPFIIYVJGAYDV-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000452009692 387698271 /nfs/dbraw/zinc/69/82/71/387698271.db2.gz BPEHOCFVUNVCJH-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO C1C[C@]2(CN1[NH2+]C1CCOCC1)CCCOC2 ZINC000367434958 387707939 /nfs/dbraw/zinc/70/79/39/387707939.db2.gz AJWJDPXPIPBGKH-ZDUSSCGKSA-N 1 2 240.347 1.173 20 0 BDADLO CCC(C)(C)NC(=O)COc1cc[nH+]cc1 ZINC000431486025 387710550 /nfs/dbraw/zinc/71/05/50/387710550.db2.gz PHJOAJUWUKRBDX-UHFFFAOYSA-N 1 2 222.288 1.765 20 0 BDADLO CC(C)[C@@H](C)NC(=O)COc1cc[nH+]cc1 ZINC000431506950 387714051 /nfs/dbraw/zinc/71/40/51/387714051.db2.gz QISYYVHIPYPLLC-SNVBAGLBSA-N 1 2 222.288 1.621 20 0 BDADLO c1ccc(N[C@H]2CCO[C@@]3(CCOC3)C2)[nH+]c1 ZINC000367521785 387720560 /nfs/dbraw/zinc/72/05/60/387720560.db2.gz YVXSPCKHJJFONA-AAEUAGOBSA-N 1 2 234.299 1.832 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnn(C)c1 ZINC000115571831 387723238 /nfs/dbraw/zinc/72/32/38/387723238.db2.gz PWBRPTHSNFJLTB-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnn(C)c1 ZINC000115571831 387723240 /nfs/dbraw/zinc/72/32/40/387723240.db2.gz PWBRPTHSNFJLTB-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]CCn2cccn2)no1 ZINC000441244158 387740705 /nfs/dbraw/zinc/74/07/05/387740705.db2.gz JTYRMIVELVAKTB-UHFFFAOYSA-N 1 2 249.318 1.353 20 0 BDADLO CN1CCN(c2[nH+]ccc3ccccc32)CC1=O ZINC000527899047 387779954 /nfs/dbraw/zinc/77/99/54/387779954.db2.gz DWQTZAWDVZQLTL-UHFFFAOYSA-N 1 2 241.294 1.513 20 0 BDADLO COc1ccc[nH+]c1N(C)CCc1cnccn1 ZINC000527949263 387782956 /nfs/dbraw/zinc/78/29/56/387782956.db2.gz NWHYRNXBWIKNKO-UHFFFAOYSA-N 1 2 244.298 1.559 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](C)O[C@@H](C)C1 ZINC000527952133 387783047 /nfs/dbraw/zinc/78/30/47/387783047.db2.gz NJRYVZQGGVFSGR-AOOOYVTPSA-N 1 2 222.288 1.704 20 0 BDADLO COc1ccc[nH+]c1N1CCN(C(C)C)C(=O)C1 ZINC000527956324 387784261 /nfs/dbraw/zinc/78/42/61/387784261.db2.gz UJCJONRPSHVCRF-UHFFFAOYSA-N 1 2 249.314 1.147 20 0 BDADLO Cc1nc(CN2CCC[C@@H]2c2[nH+]ccn2C)no1 ZINC000378459779 387787519 /nfs/dbraw/zinc/78/75/19/387787519.db2.gz HMYKBLCJXWLPQR-SNVBAGLBSA-N 1 2 247.302 1.449 20 0 BDADLO CC(=O)Nc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714551 387788673 /nfs/dbraw/zinc/78/86/73/387788673.db2.gz CPDIODYDXQTGIV-UHFFFAOYSA-N 1 2 230.271 1.980 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC ZINC000049956401 387790163 /nfs/dbraw/zinc/79/01/63/387790163.db2.gz MKBLKHMRPPEIBE-JTQLQIEISA-N 1 2 237.299 1.689 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000049956401 387790167 /nfs/dbraw/zinc/79/01/67/387790167.db2.gz MKBLKHMRPPEIBE-JTQLQIEISA-N 1 2 237.299 1.689 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000527988859 387803577 /nfs/dbraw/zinc/80/35/77/387803577.db2.gz YVDXQJOMQAMPQY-LYIQGSDWSA-N 1 2 247.342 1.680 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC[C@H]2CC)cn1 ZINC000193760906 387805302 /nfs/dbraw/zinc/80/53/02/387805302.db2.gz UVCLUHSUFBSZHQ-GFCCVEGCSA-N 1 2 221.304 1.594 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC[C@H]2CC)cn1 ZINC000193760906 387805308 /nfs/dbraw/zinc/80/53/08/387805308.db2.gz UVCLUHSUFBSZHQ-GFCCVEGCSA-N 1 2 221.304 1.594 20 0 BDADLO CCn1nnc(C)c1CNc1c[nH+]ccc1C ZINC000564041512 387807257 /nfs/dbraw/zinc/80/72/57/387807257.db2.gz GNYIWGBQLWIMMU-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CC(C)(C)c1nc(N2CCn3c[nH+]cc3C2)no1 ZINC000377995665 387759066 /nfs/dbraw/zinc/75/90/66/387759066.db2.gz WFYJNHZRXOMOQM-UHFFFAOYSA-N 1 2 247.302 1.584 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000442682304 387824234 /nfs/dbraw/zinc/82/42/34/387824234.db2.gz OJKFZFAACQKLIU-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000442682304 387824239 /nfs/dbraw/zinc/82/42/39/387824239.db2.gz OJKFZFAACQKLIU-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(F)F ZINC000452457464 387829497 /nfs/dbraw/zinc/82/94/97/387829497.db2.gz KPOZIDISHVVOOQ-QMMMGPOBSA-N 1 2 231.246 1.433 20 0 BDADLO Cn1cc(C[NH2+]Cc2cccc(Cl)c2)nn1 ZINC000054861215 387829819 /nfs/dbraw/zinc/82/98/19/387829819.db2.gz DJKPPENSHCVLMJ-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO CC(C)CC1(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000442731540 387830640 /nfs/dbraw/zinc/83/06/40/387830640.db2.gz RYPRXNVAIJVHSZ-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)c1nc(N[C@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000432849189 387832450 /nfs/dbraw/zinc/83/24/50/387832450.db2.gz ZSVPLFHBDXQICB-QWRGUYRKSA-N 1 2 235.331 1.859 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)C(C)C)[C@@H](C)CC ZINC000432845905 387833092 /nfs/dbraw/zinc/83/30/92/387833092.db2.gz LEYOGZVQPBDCMD-QJPTWQEYSA-N 1 2 245.363 1.571 20 0 BDADLO COC[C@]1(C)CCN(c2[nH+]cccc2OC)C1 ZINC000528031575 387833817 /nfs/dbraw/zinc/83/38/17/387833817.db2.gz WKSIYBHDTPDASS-CYBMUJFWSA-N 1 2 236.315 1.953 20 0 BDADLO CCC[C@@H](CNc1cc(C)[nH+]cn1)OCC ZINC000528080314 387835205 /nfs/dbraw/zinc/83/52/05/387835205.db2.gz IHEYOYVZYMPZMB-NSHDSACASA-N 1 2 223.320 1.824 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432922998 387841962 /nfs/dbraw/zinc/84/19/62/387841962.db2.gz CKVBOQQQHNVWQR-UHFFFAOYSA-N 1 2 240.351 1.307 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432922998 387841966 /nfs/dbraw/zinc/84/19/66/387841966.db2.gz CKVBOQQQHNVWQR-UHFFFAOYSA-N 1 2 240.351 1.307 20 0 BDADLO CC(C)[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000432935768 387843496 /nfs/dbraw/zinc/84/34/96/387843496.db2.gz FKVINCPVIGDTCF-SNVBAGLBSA-N 1 2 231.336 1.277 20 0 BDADLO CC(C)[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000432935768 387843499 /nfs/dbraw/zinc/84/34/99/387843499.db2.gz FKVINCPVIGDTCF-SNVBAGLBSA-N 1 2 231.336 1.277 20 0 BDADLO COCC1(C)CN(c2cc[nH+]c(C)n2)C1 ZINC000432934694 387843746 /nfs/dbraw/zinc/84/37/46/387843746.db2.gz WNMJAUOVRJLVBP-UHFFFAOYSA-N 1 2 207.277 1.258 20 0 BDADLO CC[N@H+](Cc1cccs1)Cc1ncnn1C ZINC000157576605 387849503 /nfs/dbraw/zinc/84/95/03/387849503.db2.gz JQHSOJKSUQUHLJ-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO CC[N@@H+](Cc1cccs1)Cc1ncnn1C ZINC000157576605 387849506 /nfs/dbraw/zinc/84/95/06/387849506.db2.gz JQHSOJKSUQUHLJ-UHFFFAOYSA-N 1 2 236.344 1.899 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000582577070 387851624 /nfs/dbraw/zinc/85/16/24/387851624.db2.gz JHWSIXPLGRFHLQ-ZJUUUORDSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@@]1(C(=O)Nc2c[nH+]c3n2CCCC3)CCCO1 ZINC000582587825 387859045 /nfs/dbraw/zinc/85/90/45/387859045.db2.gz SEBSDQAUOHLKQC-ZDUSSCGKSA-N 1 2 249.314 1.727 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1[nH+]ccn1CC ZINC000452569714 387860067 /nfs/dbraw/zinc/86/00/67/387860067.db2.gz IDNXWBGEDWGORI-GHMZBOCLSA-N 1 2 235.331 1.955 20 0 BDADLO Cc1cc(N[C@]23C[C@H]2COC3(C)C)nc[nH+]1 ZINC000528125638 387860947 /nfs/dbraw/zinc/86/09/47/387860947.db2.gz FJFUUTNOHAKFFE-JOYOIKCWSA-N 1 2 219.288 1.764 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000452573845 387861500 /nfs/dbraw/zinc/86/15/00/387861500.db2.gz YKDNCPYRUWKCKJ-APPZFPTMSA-N 1 2 243.257 1.420 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000452572640 387861734 /nfs/dbraw/zinc/86/17/34/387861734.db2.gz UINNVGQRVLZMLG-MNOVXSKESA-N 1 2 233.315 1.565 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)on1 ZINC000235838282 387863881 /nfs/dbraw/zinc/86/38/81/387863881.db2.gz NIKPGBKCSUPHHD-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO COc1ccc(CCNc2cc[nH+]c(C)n2)cn1 ZINC000528187528 387866283 /nfs/dbraw/zinc/86/62/83/387866283.db2.gz WPVJPFJFAXLEGT-UHFFFAOYSA-N 1 2 244.298 1.265 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)no1 ZINC000193963564 387870320 /nfs/dbraw/zinc/87/03/20/387870320.db2.gz QKTWDLHDSVSITB-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)no1 ZINC000193963564 387870322 /nfs/dbraw/zinc/87/03/22/387870322.db2.gz QKTWDLHDSVSITB-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO CC1(C)CCCN(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000423070517 387871162 /nfs/dbraw/zinc/87/11/62/387871162.db2.gz CYLYFIVCZFSKIJ-STQMWFEESA-N 1 2 239.407 1.578 20 0 BDADLO CC(=O)N1CC[NH+](C/C=C(\C)Cl)CC1 ZINC000528346322 387905592 /nfs/dbraw/zinc/90/55/92/387905592.db2.gz YSGGVBXRMBILJK-YCRREMRBSA-N 1 2 216.712 1.293 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)[C@@H](C)O1 ZINC000438362210 387929738 /nfs/dbraw/zinc/92/97/38/387929738.db2.gz XACXNBBWFDOSHG-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)[C@@H](C)[C@@H](C)O1 ZINC000438362210 387929742 /nfs/dbraw/zinc/92/97/42/387929742.db2.gz XACXNBBWFDOSHG-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)[C@@H](C)[C@@H](C)O1 ZINC000438362210 387929744 /nfs/dbraw/zinc/92/97/44/387929744.db2.gz XACXNBBWFDOSHG-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO Cn1nccc1C[N@@H+]1CCc2ncsc2C1 ZINC000438380001 387930508 /nfs/dbraw/zinc/93/05/08/387930508.db2.gz XWHFGEBOVQXHQO-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO Cn1nccc1C[N@H+]1CCc2ncsc2C1 ZINC000438380001 387930512 /nfs/dbraw/zinc/93/05/12/387930512.db2.gz XWHFGEBOVQXHQO-UHFFFAOYSA-N 1 2 234.328 1.435 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(C)(F)F ZINC000452860877 387930600 /nfs/dbraw/zinc/93/06/00/387930600.db2.gz JGOTZIOQRFLVKU-SSDOTTSWSA-N 1 2 245.273 1.847 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CC23CCOCC3)c[nH+]1 ZINC000238000258 387931784 /nfs/dbraw/zinc/93/17/84/387931784.db2.gz CSJACFQKVVEEOS-SNVBAGLBSA-N 1 2 247.298 1.419 20 0 BDADLO CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000450621052 387952450 /nfs/dbraw/zinc/95/24/50/387952450.db2.gz FAFXJSZKCAKVPN-CYBMUJFWSA-N 1 2 246.310 1.210 20 0 BDADLO CC(=O)c1ccc(C[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000450621052 387952453 /nfs/dbraw/zinc/95/24/53/387952453.db2.gz FAFXJSZKCAKVPN-CYBMUJFWSA-N 1 2 246.310 1.210 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245522466 387952932 /nfs/dbraw/zinc/95/29/32/387952932.db2.gz UMBJUOWYKAMPGI-GRYCIOLGSA-N 1 2 245.326 1.433 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)NCCCn1cc[nH+]c1 ZINC000525909714 387956003 /nfs/dbraw/zinc/95/60/03/387956003.db2.gz KSKDMGYIJZWLMI-QWRGUYRKSA-N 1 2 236.319 1.466 20 0 BDADLO COC(=O)c1occc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000224934961 387941057 /nfs/dbraw/zinc/94/10/57/387941057.db2.gz WWRQXBQYYLPEKA-QMMMGPOBSA-N 1 2 249.270 1.640 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245544811 387957947 /nfs/dbraw/zinc/95/79/47/387957947.db2.gz SNWUGZKMBZFZHE-VXGBXAGGSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245544811 387957950 /nfs/dbraw/zinc/95/79/50/387957950.db2.gz SNWUGZKMBZFZHE-VXGBXAGGSA-N 1 2 249.358 1.989 20 0 BDADLO Cc1cc(N(CC2CCC2)[C@@H](C)CO)nc[nH+]1 ZINC000439122010 387980879 /nfs/dbraw/zinc/98/08/79/387980879.db2.gz WLGRMYJLNFZRSR-NSHDSACASA-N 1 2 235.331 1.772 20 0 BDADLO COC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H](C)O1 ZINC000439275851 387990006 /nfs/dbraw/zinc/99/00/06/387990006.db2.gz QQJDANSRMNTFHV-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H](C)O1 ZINC000439275851 387990007 /nfs/dbraw/zinc/99/00/07/387990007.db2.gz QQJDANSRMNTFHV-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[NH+]1[C@H](C)C[C@H]1C ZINC000548096608 387985471 /nfs/dbraw/zinc/98/54/71/387985471.db2.gz AGPSWVANQZAXHE-FOGDFJRCSA-N 1 2 234.299 1.778 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423219764 387999848 /nfs/dbraw/zinc/99/98/48/387999848.db2.gz XJCPBCBSRIHSRB-WCBMZHEXSA-N 1 2 241.360 1.551 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCSC)[nH]1 ZINC000439476690 388003142 /nfs/dbraw/zinc/00/31/42/388003142.db2.gz ZRUOPJGXODPUBE-UHFFFAOYSA-N 1 2 228.365 1.552 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCSC)[nH]1 ZINC000439476690 388003146 /nfs/dbraw/zinc/00/31/46/388003146.db2.gz ZRUOPJGXODPUBE-UHFFFAOYSA-N 1 2 228.365 1.552 20 0 BDADLO CCCn1ncnc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548754874 388009431 /nfs/dbraw/zinc/00/94/31/388009431.db2.gz UNJKPWGYMLPCJN-UWVGGRQHSA-N 1 2 208.309 1.671 20 0 BDADLO C[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000246119467 388012317 /nfs/dbraw/zinc/01/23/17/388012317.db2.gz ANOZVSHGSRORPD-UWVGGRQHSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@H](C[C@H](C)CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000439703825 388014764 /nfs/dbraw/zinc/01/47/64/388014764.db2.gz BIYJXFXRMNUKCS-CMPLNLGQSA-N 1 2 249.358 1.985 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000439824015 388022239 /nfs/dbraw/zinc/02/22/39/388022239.db2.gz DPFJQBRURRCEGJ-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO CC[C@@H](NC(=O)c1c(C)ccn1C)c1[nH]cc[nH+]1 ZINC000440308171 388039242 /nfs/dbraw/zinc/03/92/42/388039242.db2.gz XKZMHKKCVVIXKH-SNVBAGLBSA-N 1 2 246.314 1.938 20 0 BDADLO CC[N@H+](Cc1ncccc1O)C1COC1 ZINC000648698690 388043532 /nfs/dbraw/zinc/04/35/32/388043532.db2.gz LYOUYIKSESBYHK-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CC[N@@H+](Cc1ncccc1O)C1COC1 ZINC000648698690 388043534 /nfs/dbraw/zinc/04/35/34/388043534.db2.gz LYOUYIKSESBYHK-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000453313428 388044089 /nfs/dbraw/zinc/04/40/89/388044089.db2.gz DDNBMTDJIGKHFV-NEPJUHHUSA-N 1 2 245.363 1.977 20 0 BDADLO CC[N@H+](CCO)Cc1nn(C)c(C)c1Cl ZINC000421332259 388026996 /nfs/dbraw/zinc/02/69/96/388026996.db2.gz VKNVGSOCBSDWFZ-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO CC[N@@H+](CCO)Cc1nn(C)c(C)c1Cl ZINC000421332259 388027001 /nfs/dbraw/zinc/02/70/01/388027001.db2.gz VKNVGSOCBSDWFZ-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000440522961 388051377 /nfs/dbraw/zinc/05/13/77/388051377.db2.gz XGVUFAJKMMDZIE-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H](F)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000440522961 388051382 /nfs/dbraw/zinc/05/13/82/388051382.db2.gz XGVUFAJKMMDZIE-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cc2ncnn2CCF)C1 ZINC000440535971 388053718 /nfs/dbraw/zinc/05/37/18/388053718.db2.gz WNGXQCSTMCZZRI-JTQLQIEISA-N 1 2 238.310 1.646 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cc2ncnn2CCF)C1 ZINC000440535971 388053722 /nfs/dbraw/zinc/05/37/22/388053722.db2.gz WNGXQCSTMCZZRI-JTQLQIEISA-N 1 2 238.310 1.646 20 0 BDADLO C[C@@H](F)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000454333572 388114431 /nfs/dbraw/zinc/11/44/31/388114431.db2.gz DELAPTYPSJKUNT-ZJUUUORDSA-N 1 2 242.298 1.319 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cn1ccc(C)n1 ZINC000448837505 388114556 /nfs/dbraw/zinc/11/45/56/388114556.db2.gz UBOSKOWXVMULBU-UHFFFAOYSA-N 1 2 246.270 1.234 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)N(C)C(C)C)n1 ZINC000440668972 388065672 /nfs/dbraw/zinc/06/56/72/388065672.db2.gz WDMMRHGCMIGJGP-UHFFFAOYSA-N 1 2 249.358 1.689 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)N(C)C(C)C)n1 ZINC000440668972 388065676 /nfs/dbraw/zinc/06/56/76/388065676.db2.gz WDMMRHGCMIGJGP-UHFFFAOYSA-N 1 2 249.358 1.689 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)c1csc(C)n1)C(=O)NC ZINC000453409198 388075992 /nfs/dbraw/zinc/07/59/92/388075992.db2.gz QXXFJPMXDDBKQI-VXNVDRBHSA-N 1 2 241.360 1.627 20 0 BDADLO CCN(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000192918163 388078942 /nfs/dbraw/zinc/07/89/42/388078942.db2.gz IFZSHTVBYYUUOC-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000447873926 388098839 /nfs/dbraw/zinc/09/88/39/388098839.db2.gz ULECPKQBBKPVQO-DTWKUNHWSA-N 1 2 239.319 1.396 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000447873926 388098840 /nfs/dbraw/zinc/09/88/40/388098840.db2.gz ULECPKQBBKPVQO-DTWKUNHWSA-N 1 2 239.319 1.396 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CC1(O)CCC1 ZINC000447886493 388100277 /nfs/dbraw/zinc/10/02/77/388100277.db2.gz RVFCFYKYQQXFMC-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CC1(O)CCC1 ZINC000447886493 388100280 /nfs/dbraw/zinc/10/02/80/388100280.db2.gz RVFCFYKYQQXFMC-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@H](OC)C2)n1 ZINC000170819199 388107055 /nfs/dbraw/zinc/10/70/55/388107055.db2.gz PBPQLOKSPOFLHP-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CCC[C@H](OC)C2)n1 ZINC000170819199 388107059 /nfs/dbraw/zinc/10/70/59/388107059.db2.gz PBPQLOKSPOFLHP-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927181 388110988 /nfs/dbraw/zinc/11/09/88/388110988.db2.gz NRCVRIWDNYKVHS-IUCAKERBSA-N 1 2 229.320 1.484 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927201 388111531 /nfs/dbraw/zinc/11/15/31/388111531.db2.gz YMBXWDUWRRRRQX-VIFPVBQESA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000440497318 388045292 /nfs/dbraw/zinc/04/52/92/388045292.db2.gz VAUIDCDQOIYENB-PKFCDNJMSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000440497318 388045294 /nfs/dbraw/zinc/04/52/94/388045294.db2.gz VAUIDCDQOIYENB-PKFCDNJMSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000440500251 388045901 /nfs/dbraw/zinc/04/59/01/388045901.db2.gz YYFFWPIFTWWYBN-GARJFASQSA-N 1 2 219.300 1.470 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000440500251 388045904 /nfs/dbraw/zinc/04/59/04/388045904.db2.gz YYFFWPIFTWWYBN-GARJFASQSA-N 1 2 219.300 1.470 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H](F)CC ZINC000440509422 388047062 /nfs/dbraw/zinc/04/70/62/388047062.db2.gz JIBAFDUBEHNEHX-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H](F)CC ZINC000440509422 388047064 /nfs/dbraw/zinc/04/70/64/388047064.db2.gz JIBAFDUBEHNEHX-NXEZZACHSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](F)CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000440515022 388048611 /nfs/dbraw/zinc/04/86/11/388048611.db2.gz QPMCJTRVOKSGAA-XQQFMLRXSA-N 1 2 246.370 1.776 20 0 BDADLO CC[C@H](F)CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000440515022 388048613 /nfs/dbraw/zinc/04/86/13/388048613.db2.gz QPMCJTRVOKSGAA-XQQFMLRXSA-N 1 2 246.370 1.776 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000646182026 388160563 /nfs/dbraw/zinc/16/05/63/388160563.db2.gz VVDNKHIRUOOFHT-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1cnn(C)c1C ZINC000646182026 388160565 /nfs/dbraw/zinc/16/05/65/388160565.db2.gz VVDNKHIRUOOFHT-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO CCN1CC[N@H+](CCc2cccc(C)c2)CC1=O ZINC000449239625 388160882 /nfs/dbraw/zinc/16/08/82/388160882.db2.gz WITWYGUYLGBFAN-UHFFFAOYSA-N 1 2 246.354 1.702 20 0 BDADLO CCN1CC[N@@H+](CCc2cccc(C)c2)CC1=O ZINC000449239625 388160883 /nfs/dbraw/zinc/16/08/83/388160883.db2.gz WITWYGUYLGBFAN-UHFFFAOYSA-N 1 2 246.354 1.702 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449298529 388168700 /nfs/dbraw/zinc/16/87/00/388168700.db2.gz KFSJKDUTPKHUQE-DTWKUNHWSA-N 1 2 211.261 1.362 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646260760 388172026 /nfs/dbraw/zinc/17/20/26/388172026.db2.gz FWLJDGKYSLLALT-SKDRFNHKSA-N 1 2 249.314 1.252 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646260760 388172027 /nfs/dbraw/zinc/17/20/27/388172027.db2.gz FWLJDGKYSLLALT-SKDRFNHKSA-N 1 2 249.314 1.252 20 0 BDADLO CC/C=C\CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000456091016 388176598 /nfs/dbraw/zinc/17/65/98/388176598.db2.gz GCDLXLQDFRSADS-WAYWQWQTSA-N 1 2 221.304 1.770 20 0 BDADLO COc1nccnc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000449343790 388176649 /nfs/dbraw/zinc/17/66/49/388176649.db2.gz NBOXJCIJOIKZTL-DTWKUNHWSA-N 1 2 225.267 1.465 20 0 BDADLO Cc1cnc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000449352151 388180321 /nfs/dbraw/zinc/18/03/21/388180321.db2.gz UMTLMMRPHBCQCT-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1cnc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000449352151 388180322 /nfs/dbraw/zinc/18/03/22/388180322.db2.gz UMTLMMRPHBCQCT-UHFFFAOYSA-N 1 2 219.288 1.148 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH2+]C(CF)CF ZINC000449380037 388188643 /nfs/dbraw/zinc/18/86/43/388188643.db2.gz LQPLCOGALALCDS-UHFFFAOYSA-N 1 2 245.317 1.942 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(C)(C)C1CCC1 ZINC000448899626 388118738 /nfs/dbraw/zinc/11/87/38/388118738.db2.gz OWBZJFSZXDGENK-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1sccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000448956355 388122983 /nfs/dbraw/zinc/12/29/83/388122983.db2.gz ZMRHZXVSOPYEBJ-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cc2cccnc2o1 ZINC000449009876 388128808 /nfs/dbraw/zinc/12/88/08/388128808.db2.gz JRXGWGSFDLJPNO-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449009876 388128811 /nfs/dbraw/zinc/12/88/11/388128811.db2.gz JRXGWGSFDLJPNO-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO CCC(C)(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449654561 388248677 /nfs/dbraw/zinc/24/86/77/388248677.db2.gz WGNMXEVWAQTEIQ-SECBINFHSA-N 1 2 248.317 1.784 20 0 BDADLO CCC1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000449657361 388249551 /nfs/dbraw/zinc/24/95/51/388249551.db2.gz OVCWHHXDOCWSHT-VIFPVBQESA-N 1 2 246.301 1.538 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C)CC1 ZINC000456365664 388197586 /nfs/dbraw/zinc/19/75/86/388197586.db2.gz WBHFROOAAIFOOM-SECBINFHSA-N 1 2 221.304 1.880 20 0 BDADLO C[C@H]([NH2+]Cc1cnc2cnccn12)C(C)(F)F ZINC000449416509 388198822 /nfs/dbraw/zinc/19/88/22/388198822.db2.gz UMHSSPPXKSDJKA-QMMMGPOBSA-N 1 2 240.257 1.863 20 0 BDADLO CC[N@H+](Cc1sccc1OC)C1COC1 ZINC000449421527 388200835 /nfs/dbraw/zinc/20/08/35/388200835.db2.gz AVUBFLVJRYYNGC-UHFFFAOYSA-N 1 2 227.329 1.977 20 0 BDADLO CC[N@@H+](Cc1sccc1OC)C1COC1 ZINC000449421527 388200837 /nfs/dbraw/zinc/20/08/37/388200837.db2.gz AVUBFLVJRYYNGC-UHFFFAOYSA-N 1 2 227.329 1.977 20 0 BDADLO C[C@H](CN=c1nc(C(C)(C)C)o[nH]1)C[NH+](C)C ZINC000489008416 388201503 /nfs/dbraw/zinc/20/15/03/388201503.db2.gz SYHOOSQLECLSNW-SECBINFHSA-N 1 2 240.351 1.399 20 0 BDADLO CO[C@H]([C@H](C)NC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000456617715 388211255 /nfs/dbraw/zinc/21/12/55/388211255.db2.gz YEQVGRPKNZEHEC-WRWORJQWSA-N 1 2 237.303 1.261 20 0 BDADLO CCCc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000449520489 388223145 /nfs/dbraw/zinc/22/31/45/388223145.db2.gz DZDKJKPVNCTQAW-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000449520489 388223146 /nfs/dbraw/zinc/22/31/46/388223146.db2.gz DZDKJKPVNCTQAW-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CC(=O)C1(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000456855052 388228224 /nfs/dbraw/zinc/22/82/24/388228224.db2.gz ZAOKZEQPYHLXCY-UHFFFAOYSA-N 1 2 246.310 1.684 20 0 BDADLO CCO[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456869869 388229214 /nfs/dbraw/zinc/22/92/14/388229214.db2.gz YRSXFMARAKIJKB-LLVKDONJSA-N 1 2 236.315 1.740 20 0 BDADLO CC[C@@H]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000490078468 388234609 /nfs/dbraw/zinc/23/46/09/388234609.db2.gz HIPSXWCBMXNLMK-SNVBAGLBSA-N 1 2 235.335 1.482 20 0 BDADLO CC[C@@H]1CCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000490078468 388234611 /nfs/dbraw/zinc/23/46/11/388234611.db2.gz HIPSXWCBMXNLMK-SNVBAGLBSA-N 1 2 235.335 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2C=CCCC2)[nH+]1 ZINC000490104651 388235625 /nfs/dbraw/zinc/23/56/25/388235625.db2.gz PAPZLHINBCEHLJ-SNVBAGLBSA-N 1 2 233.319 1.189 20 0 BDADLO Cc1nc(N[C@@H]2C=CCCC2)nc(N(C)C)[nH+]1 ZINC000490104651 388235627 /nfs/dbraw/zinc/23/56/27/388235627.db2.gz PAPZLHINBCEHLJ-SNVBAGLBSA-N 1 2 233.319 1.189 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)no1 ZINC000459425112 388243616 /nfs/dbraw/zinc/24/36/16/388243616.db2.gz RCAZHFZAMRNSJT-FXAINCCUSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)no1 ZINC000459444086 388244372 /nfs/dbraw/zinc/24/43/72/388244372.db2.gz LTFCEDPFJDIHGZ-NSHDSACASA-N 1 2 237.303 1.082 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1CCSC1 ZINC000449626593 388245077 /nfs/dbraw/zinc/24/50/77/388245077.db2.gz DPEXIAGFDMHGSE-DTWKUNHWSA-N 1 2 239.331 1.687 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1CCSC1 ZINC000449626593 388245078 /nfs/dbraw/zinc/24/50/78/388245078.db2.gz DPEXIAGFDMHGSE-DTWKUNHWSA-N 1 2 239.331 1.687 20 0 BDADLO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000164796311 388248258 /nfs/dbraw/zinc/24/82/58/388248258.db2.gz FOPZPPIBSVQHHO-GHMZBOCLSA-N 1 2 209.293 1.050 20 0 BDADLO CCCc1nc(C[NH2+][C@H]2COCC2(C)C)no1 ZINC000451814371 388298554 /nfs/dbraw/zinc/29/85/54/388298554.db2.gz XCAQWXWDSVWJBU-VIFPVBQESA-N 1 2 239.319 1.537 20 0 BDADLO C[C@H](O)C[N@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000451826831 388298923 /nfs/dbraw/zinc/29/89/23/388298923.db2.gz FULLCEONXCMHCH-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@H](O)C[N@@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000451826831 388298924 /nfs/dbraw/zinc/29/89/24/388298924.db2.gz FULLCEONXCMHCH-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)CC1CC(F)(F)C1 ZINC000451847267 388300844 /nfs/dbraw/zinc/30/08/44/388300844.db2.gz ZMIQEHUBJYJFCC-SSDOTTSWSA-N 1 2 243.244 1.980 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1CC(F)(F)C1 ZINC000451847267 388300846 /nfs/dbraw/zinc/30/08/46/388300846.db2.gz ZMIQEHUBJYJFCC-SSDOTTSWSA-N 1 2 243.244 1.980 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C=CC1CC1 ZINC000491938548 388328760 /nfs/dbraw/zinc/32/87/60/388328760.db2.gz LMUQTZJTUAXOJM-PLNGDYQASA-N 1 2 202.257 1.717 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1(O)CCCCC1 ZINC000493069745 256613767 /nfs/dbraw/zinc/61/37/67/256613767.db2.gz IZGOWQMAFIDHLZ-SNAWJCMRSA-N 1 2 249.314 1.234 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc[nH]1 ZINC000491959054 388329628 /nfs/dbraw/zinc/32/96/28/388329628.db2.gz VBFROXMJJXAHMO-PLNGDYQASA-N 1 2 230.271 1.078 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451418454 388270796 /nfs/dbraw/zinc/27/07/96/388270796.db2.gz MKNHZOOYWUEOTN-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451418454 388270798 /nfs/dbraw/zinc/27/07/98/388270798.db2.gz MKNHZOOYWUEOTN-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO O=C(/C=C/c1cccnc1)NCCn1cc[nH+]c1 ZINC000491150870 388273642 /nfs/dbraw/zinc/27/36/42/388273642.db2.gz IRPNSEOOXAFEHF-ONEGZZNKSA-N 1 2 242.282 1.108 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC(=O)C1CC1 ZINC000492416180 388343869 /nfs/dbraw/zinc/34/38/69/388343869.db2.gz MLLZTBMPIKZJHA-WAYWQWQTSA-N 1 2 247.298 1.012 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC(=O)C1CC1 ZINC000492416179 388343875 /nfs/dbraw/zinc/34/38/75/388343875.db2.gz MLLZTBMPIKZJHA-AATRIKPKSA-N 1 2 247.298 1.012 20 0 BDADLO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ncn(C)n1 ZINC000275494926 388344748 /nfs/dbraw/zinc/34/47/48/388344748.db2.gz GIRNMOBGFKXJQR-NXEZZACHSA-N 1 2 206.293 1.574 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000275751995 388346423 /nfs/dbraw/zinc/34/64/23/388346423.db2.gz QUVPFEWPVFXMIC-QWRGUYRKSA-N 1 2 225.288 1.220 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000236947144 388386963 /nfs/dbraw/zinc/38/69/63/388386963.db2.gz GEIHVVUUPCIYIU-HOTUBEGUSA-N 1 2 228.336 1.044 20 0 BDADLO CCC[C@H](C[NH2+]Cc1cn[nH]c1C)OC ZINC000293795272 388391905 /nfs/dbraw/zinc/39/19/05/388391905.db2.gz XSYNWJCTMOZDBS-LLVKDONJSA-N 1 2 211.309 1.623 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000229577012 388393503 /nfs/dbraw/zinc/39/35/03/388393503.db2.gz KSYSHEIGQXADIN-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000229577012 388393506 /nfs/dbraw/zinc/39/35/06/388393506.db2.gz KSYSHEIGQXADIN-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO Nc1ccc(NC(=O)/C=C/C2CCOCC2)c[nH+]1 ZINC000238132725 388400059 /nfs/dbraw/zinc/40/00/59/388400059.db2.gz JAEBLAKJWQKDJG-DAFODLJHSA-N 1 2 247.298 1.585 20 0 BDADLO C[NH+](C)C/C=C/C(=O)Nc1ccc2nn[nH]c2c1 ZINC000492158736 388336933 /nfs/dbraw/zinc/33/69/33/388336933.db2.gz BKXAKADZRQHKKA-ONEGZZNKSA-N 1 2 245.286 1.014 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCCC1 ZINC000492256523 388339422 /nfs/dbraw/zinc/33/94/22/388339422.db2.gz BPFJJZTVTKYOKL-VOTSOKGWSA-N 1 2 233.315 1.929 20 0 BDADLO C/C=C/C=C\C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000492262858 388339597 /nfs/dbraw/zinc/33/95/97/388339597.db2.gz JCXJSFKLIPCWHP-UXVFWXEMSA-N 1 2 245.326 1.868 20 0 BDADLO CO[C@@H](C)CCC(=O)NCc1[nH]c[nH+]c1C ZINC000330793904 388444636 /nfs/dbraw/zinc/44/46/36/388444636.db2.gz CSVMCPAHFCXTAB-QMMMGPOBSA-N 1 2 225.292 1.149 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)c1[nH]cc[nH+]1 ZINC000513822474 388452587 /nfs/dbraw/zinc/45/25/87/388452587.db2.gz CVDREBLDQBTWLO-BIIVOSGPSA-N 1 2 243.257 1.878 20 0 BDADLO CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000041282750 388457992 /nfs/dbraw/zinc/45/79/92/388457992.db2.gz IQVAZQDKFVLCPB-UHFFFAOYSA-N 1 2 231.299 1.711 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OC ZINC000309719343 388462269 /nfs/dbraw/zinc/46/22/69/388462269.db2.gz VJFDTGIWCJDJTC-OUAUKWLOSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649226441 388462650 /nfs/dbraw/zinc/46/26/50/388462650.db2.gz WTPFZADCGYGYGS-UTUOFQBUSA-N 1 2 247.342 1.608 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC(C2CC2)C1 ZINC000649224670 388462665 /nfs/dbraw/zinc/46/26/65/388462665.db2.gz DGRLXIJXQXMHFH-LLVKDONJSA-N 1 2 245.326 1.314 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1ccsc1)S(C)(=O)=O ZINC000649231593 388463846 /nfs/dbraw/zinc/46/38/46/388463846.db2.gz NILANHMHCXNIBT-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1ccsc1)S(C)(=O)=O ZINC000649231593 388463848 /nfs/dbraw/zinc/46/38/48/388463848.db2.gz NILANHMHCXNIBT-VIFPVBQESA-N 1 2 247.385 1.613 20 0 BDADLO Cc1nc([C@H]2CCCC[N@H+]2CC[C@H](C)O)no1 ZINC000649252474 388470693 /nfs/dbraw/zinc/47/06/93/388470693.db2.gz LASNHPUPIZMGCS-GXSJLCMTSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H]2CCCC[N@@H+]2CC[C@H](C)O)no1 ZINC000649252474 388470694 /nfs/dbraw/zinc/47/06/94/388470694.db2.gz LASNHPUPIZMGCS-GXSJLCMTSA-N 1 2 239.319 1.676 20 0 BDADLO CCc1[nH]nc(NCc2c[nH+]cn2C)c1C ZINC000134002101 388474334 /nfs/dbraw/zinc/47/43/34/388474334.db2.gz HJQOVJPSYYAOOY-UHFFFAOYSA-N 1 2 219.292 1.626 20 0 BDADLO CCN(CCO)c1[nH]c2ccccc2[nH+]1 ZINC000040431683 388415836 /nfs/dbraw/zinc/41/58/36/388415836.db2.gz FRSTXSCJBTUHSD-UHFFFAOYSA-N 1 2 205.261 1.382 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ncccc1C)C1CC1 ZINC000404605361 388426451 /nfs/dbraw/zinc/42/64/51/388426451.db2.gz BRRYAEXHDBQISE-CYBMUJFWSA-N 1 2 248.326 1.474 20 0 BDADLO Cc1n[nH]cc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000646721122 388430536 /nfs/dbraw/zinc/43/05/36/388430536.db2.gz IZNIHKCMZXFGAG-UHFFFAOYSA-N 1 2 247.302 1.035 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CCN1CCCC1=O ZINC000573219624 388434142 /nfs/dbraw/zinc/43/41/42/388434142.db2.gz ICMREDSGCCNMCX-UHFFFAOYSA-N 1 2 248.330 1.152 20 0 BDADLO CC[C@@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000322536103 388438172 /nfs/dbraw/zinc/43/81/72/388438172.db2.gz RJIVHPCKBNSMEU-KOLCDFICSA-N 1 2 217.309 1.343 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ncccc1Cl ZINC000528522126 388542872 /nfs/dbraw/zinc/54/28/72/388542872.db2.gz WCHMNWLSHRYBSC-SNVBAGLBSA-N 1 2 239.706 1.185 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ncccc1Cl ZINC000528522126 388542874 /nfs/dbraw/zinc/54/28/74/388542874.db2.gz WCHMNWLSHRYBSC-SNVBAGLBSA-N 1 2 239.706 1.185 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548492858 388544362 /nfs/dbraw/zinc/54/43/62/388544362.db2.gz QAKRMCOXFKIPGV-GXTWGEPZSA-N 1 2 249.358 1.761 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cc(CO)ccc1F ZINC000528546009 388546421 /nfs/dbraw/zinc/54/64/21/388546421.db2.gz QZMSJDRERJVQCM-UHFFFAOYSA-N 1 2 249.289 1.673 20 0 BDADLO COC(=O)c1occc1CNCc1c[nH+]cn1C ZINC000356259761 388547978 /nfs/dbraw/zinc/54/79/78/388547978.db2.gz NJCFEWHRUSPTOQ-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO Cc1nocc1C[NH2+]Cc1snnc1C ZINC000339408862 388483184 /nfs/dbraw/zinc/48/31/84/388483184.db2.gz JIEDXMIDPRGPRX-UHFFFAOYSA-N 1 2 224.289 1.433 20 0 BDADLO Cc1cc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)on1 ZINC000646762644 388486778 /nfs/dbraw/zinc/48/67/78/388486778.db2.gz VJODQJWQGXCISZ-UHFFFAOYSA-N 1 2 248.286 1.300 20 0 BDADLO Cc1oncc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000238953174 388495510 /nfs/dbraw/zinc/49/55/10/388495510.db2.gz XJLQYENWYSSHQK-UHFFFAOYSA-N 1 2 249.314 1.037 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@@H](O)CC1 ZINC000378771566 388500463 /nfs/dbraw/zinc/50/04/63/388500463.db2.gz FZKHZFHMUOXHGA-SNVBAGLBSA-N 1 2 222.288 1.441 20 0 BDADLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)OC)CCO1 ZINC000135607021 388502337 /nfs/dbraw/zinc/50/23/37/388502337.db2.gz RZARGBBIUCFBRU-GXSJLCMTSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)OC)CCO1 ZINC000135607021 388502339 /nfs/dbraw/zinc/50/23/39/388502339.db2.gz RZARGBBIUCFBRU-GXSJLCMTSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)oc1C ZINC000135659934 388503694 /nfs/dbraw/zinc/50/36/94/388503694.db2.gz NNXRYVDFNXAKAK-UHFFFAOYSA-N 1 2 248.326 1.817 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ncccc1Cl ZINC000528510214 388506873 /nfs/dbraw/zinc/50/68/73/388506873.db2.gz BXNKADYHICJZJG-SECBINFHSA-N 1 2 226.707 1.956 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ncccc1Cl ZINC000528510214 388506874 /nfs/dbraw/zinc/50/68/74/388506874.db2.gz BXNKADYHICJZJG-SECBINFHSA-N 1 2 226.707 1.956 20 0 BDADLO Cc1cocc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000528517758 388511762 /nfs/dbraw/zinc/51/17/62/388511762.db2.gz OEJGFMSVFCAQFO-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CCCC2 ZINC000516674716 388513500 /nfs/dbraw/zinc/51/35/00/388513500.db2.gz XSMBAKPGKJLZQZ-NSHDSACASA-N 1 2 233.315 1.412 20 0 BDADLO c1nnc([C@H]([NH2+][C@H]2CCOC2)c2ccccc2)[nH]1 ZINC000548176324 388519783 /nfs/dbraw/zinc/51/97/83/388519783.db2.gz XXXSLPKIHCZHSP-NWDGAFQWSA-N 1 2 244.298 1.273 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCNC(=O)C1(C)C ZINC000528385034 388519879 /nfs/dbraw/zinc/51/98/79/388519879.db2.gz VECXHSRPQTVFMS-XBXARRHUSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCNC(=O)C1(C)C ZINC000528385034 388519881 /nfs/dbraw/zinc/51/98/81/388519881.db2.gz VECXHSRPQTVFMS-XBXARRHUSA-N 1 2 216.712 1.339 20 0 BDADLO Cc1cc(NC(=O)C2(C(=O)C3CC3)CC2)cc[nH+]1 ZINC000516847826 388519935 /nfs/dbraw/zinc/51/99/35/388519935.db2.gz SYVRPNDBGRDMME-UHFFFAOYSA-N 1 2 244.294 1.510 20 0 BDADLO Cc1c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cnn1C ZINC000520835009 388520300 /nfs/dbraw/zinc/52/03/00/388520300.db2.gz UYAFIPRGTQFZMT-SNVBAGLBSA-N 1 2 236.319 1.007 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC000548191317 388521179 /nfs/dbraw/zinc/52/11/79/388521179.db2.gz VJVKMCYPDSAGMJ-SNVBAGLBSA-N 1 2 223.320 1.610 20 0 BDADLO CC[C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000548210448 388521900 /nfs/dbraw/zinc/52/19/00/388521900.db2.gz TVAOEBZTDWYKFM-JTQLQIEISA-N 1 2 223.320 1.467 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876921 388522416 /nfs/dbraw/zinc/52/24/16/388522416.db2.gz LKAXLVVNFMPOIC-LFSVMHDDSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876921 388522420 /nfs/dbraw/zinc/52/24/20/388522420.db2.gz LKAXLVVNFMPOIC-LFSVMHDDSA-N 1 2 247.342 1.893 20 0 BDADLO CCOC[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000548289235 388525870 /nfs/dbraw/zinc/52/58/70/388525870.db2.gz LFJVFIQRGUDTSJ-VIFPVBQESA-N 1 2 246.314 1.301 20 0 BDADLO C/C(Cl)=C/C[NH2+][C@H](C)c1nncn1C ZINC000528442644 388526726 /nfs/dbraw/zinc/52/67/26/388526726.db2.gz FEDOGUUSHNLOGW-RBMBQVQZSA-N 1 2 214.700 1.608 20 0 BDADLO COc1cccc([C@H](C)[N@@H+]2CCNC(=O)C2)c1 ZINC000079385226 388532602 /nfs/dbraw/zinc/53/26/02/388532602.db2.gz KSOPASLIYNOOCN-JTQLQIEISA-N 1 2 234.299 1.188 20 0 BDADLO COc1cccc([C@H](C)[N@H+]2CCNC(=O)C2)c1 ZINC000079385226 388532603 /nfs/dbraw/zinc/53/26/03/388532603.db2.gz KSOPASLIYNOOCN-JTQLQIEISA-N 1 2 234.299 1.188 20 0 BDADLO CCc1cncc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000517070550 388536878 /nfs/dbraw/zinc/53/68/78/388536878.db2.gz VJLPJAAXCRYDGY-UHFFFAOYSA-N 1 2 243.266 1.419 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)CC(F)F ZINC000648961157 388587244 /nfs/dbraw/zinc/58/72/44/388587244.db2.gz WXAWDAWFLJXUSX-ZETCQYMHSA-N 1 2 245.273 1.668 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)CC(F)F ZINC000648961157 388587245 /nfs/dbraw/zinc/58/72/45/388587245.db2.gz WXAWDAWFLJXUSX-ZETCQYMHSA-N 1 2 245.273 1.668 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ncccc2C)C1 ZINC000330535743 388590908 /nfs/dbraw/zinc/59/09/08/388590908.db2.gz SBTULJLZEKHTNC-JQWIXIFHSA-N 1 2 249.314 1.515 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ncccc2C)C1 ZINC000330535743 388590909 /nfs/dbraw/zinc/59/09/09/388590909.db2.gz SBTULJLZEKHTNC-JQWIXIFHSA-N 1 2 249.314 1.515 20 0 BDADLO CN(C)C(=O)c1ccc(C[NH2+]CC(C)(F)F)[nH]1 ZINC000550256328 388603067 /nfs/dbraw/zinc/60/30/67/388603067.db2.gz VMOVQUZJARXNID-UHFFFAOYSA-N 1 2 245.273 1.461 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000521485537 388610947 /nfs/dbraw/zinc/61/09/47/388610947.db2.gz ZKGKQNSDPWMKKL-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO CC[C@@H]([NH2+]CCC(C)(F)F)C(=O)OC ZINC000357732363 388553081 /nfs/dbraw/zinc/55/30/81/388553081.db2.gz ORXVXKUTUUPEHI-SSDOTTSWSA-N 1 2 209.236 1.573 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(N)=O ZINC000357772503 388553178 /nfs/dbraw/zinc/55/31/78/388553178.db2.gz MRIVJSLXWQBOJP-VIFPVBQESA-N 1 2 236.319 1.006 20 0 BDADLO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1CC(F)F ZINC000528637562 388554572 /nfs/dbraw/zinc/55/45/72/388554572.db2.gz FYHGVMQRQVVZSA-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@@H]1CCC2(CCOCC2)C[N@H+]1CC(F)F ZINC000528637562 388554574 /nfs/dbraw/zinc/55/45/74/388554574.db2.gz FYHGVMQRQVVZSA-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@@]1([NH2+]CC(F)F)COc2ccccc2C1 ZINC000528643362 388554581 /nfs/dbraw/zinc/55/45/81/388554581.db2.gz DQOIQSCVVZOTMP-GFCCVEGCSA-N 1 2 243.253 1.207 20 0 BDADLO COCc1noc(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548754929 388557358 /nfs/dbraw/zinc/55/73/58/388557358.db2.gz YESLOKQIVDSDKZ-OCAPTIKFSA-N 1 2 211.265 1.199 20 0 BDADLO COCc1noc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548754929 388557363 /nfs/dbraw/zinc/55/73/63/388557363.db2.gz YESLOKQIVDSDKZ-OCAPTIKFSA-N 1 2 211.265 1.199 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nnnn1-c1ccccc1 ZINC000548753020 388557434 /nfs/dbraw/zinc/55/74/34/388557434.db2.gz HWNWMJMPEHJMIY-QWRGUYRKSA-N 1 2 243.314 1.645 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000528717753 388560286 /nfs/dbraw/zinc/56/02/86/388560286.db2.gz GJNHLYDSIXATKH-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000528717753 388560288 /nfs/dbraw/zinc/56/02/88/388560288.db2.gz GJNHLYDSIXATKH-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CC(C)OC1CC[NH+](Cc2nncn2C)CC1 ZINC000548779445 388562428 /nfs/dbraw/zinc/56/24/28/388562428.db2.gz MURKKSVRISUCSD-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO CCCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364028165 388563893 /nfs/dbraw/zinc/56/38/93/388563893.db2.gz GIKCOQZYROEMEP-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO C[C@@H]1CCN(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000548818532 388564429 /nfs/dbraw/zinc/56/44/29/388564429.db2.gz MUNBSXLIJMMREL-SNVBAGLBSA-N 1 2 234.303 1.202 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cn[nH]c1 ZINC000615652751 388581673 /nfs/dbraw/zinc/58/16/73/388581673.db2.gz AYWCVMKYOZJWFF-UTUOFQBUSA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cn[nH]c1 ZINC000615652751 388581675 /nfs/dbraw/zinc/58/16/75/388581675.db2.gz AYWCVMKYOZJWFF-UTUOFQBUSA-N 1 2 249.314 1.183 20 0 BDADLO CC(C)(C)OC(=O)CSCCn1cc[nH+]c1 ZINC000185095564 388584982 /nfs/dbraw/zinc/58/49/82/388584982.db2.gz OBPKQMKKKOGLQE-UHFFFAOYSA-N 1 2 242.344 1.958 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)C(C)(F)F ZINC000328193975 388585926 /nfs/dbraw/zinc/58/59/26/388585926.db2.gz QDKYTKMXHHGCOR-ZCFIWIBFSA-N 1 2 217.219 1.317 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)C(C)(F)F ZINC000328193975 388585928 /nfs/dbraw/zinc/58/59/28/388585928.db2.gz QDKYTKMXHHGCOR-ZCFIWIBFSA-N 1 2 217.219 1.317 20 0 BDADLO CCOCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000522006777 388674022 /nfs/dbraw/zinc/67/40/22/388674022.db2.gz WIMRUGIHZGOCPV-LLVKDONJSA-N 1 2 239.319 1.329 20 0 BDADLO Cc1nc(N)c(CNC(=O)CCC2CCC2)c[nH+]1 ZINC000552182668 388677170 /nfs/dbraw/zinc/67/71/70/388677170.db2.gz RUEWISMCOPVICB-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OC ZINC000248615432 388686635 /nfs/dbraw/zinc/68/66/35/388686635.db2.gz RKZRYDWEDJFMRU-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](C)C(F)(F)F ZINC000521643918 388621753 /nfs/dbraw/zinc/62/17/53/388621753.db2.gz SKOAFJDTMFYCQG-ZETCQYMHSA-N 1 2 249.236 1.718 20 0 BDADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)C[C@H]2C[C@H]2C1 ZINC000551164426 388622327 /nfs/dbraw/zinc/62/23/27/388622327.db2.gz MMECJDPAIVPLOR-YABSGUDNSA-N 1 2 245.326 1.703 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2nncs2)c[nH+]1 ZINC000530188993 388624767 /nfs/dbraw/zinc/62/47/67/388624767.db2.gz KGQQGNDOPQWHPI-UHFFFAOYSA-N 1 2 248.311 1.480 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2nncn2C)ccn1 ZINC000551267866 388625031 /nfs/dbraw/zinc/62/50/31/388625031.db2.gz WAVKCOQKJVYLBP-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCOC(=O)c1ccc(CNc2c[nH]c[nH+]2)o1 ZINC000551327637 388626708 /nfs/dbraw/zinc/62/67/08/388626708.db2.gz GUELAAQEHNQYER-UHFFFAOYSA-N 1 2 235.243 1.792 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)[nH]1 ZINC000189287293 388629797 /nfs/dbraw/zinc/62/97/97/388629797.db2.gz ASGIFFDIUNXVHU-NXEZZACHSA-N 1 2 238.335 1.224 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)[nH]1 ZINC000189287293 388629798 /nfs/dbraw/zinc/62/97/98/388629798.db2.gz ASGIFFDIUNXVHU-NXEZZACHSA-N 1 2 238.335 1.224 20 0 BDADLO COC[C@H]([NH2+]CC(=O)OC(C)(C)C)C(C)C ZINC000083399194 388638744 /nfs/dbraw/zinc/63/87/44/388638744.db2.gz PEKOBSJSSKAZRJ-JTQLQIEISA-N 1 2 231.336 1.589 20 0 BDADLO Cc1ccc(NC(=O)NC2(CCO)CC2)c(C)[nH+]1 ZINC000433019954 388757181 /nfs/dbraw/zinc/75/71/81/388757181.db2.gz LTBQSBOXXNXIPT-UHFFFAOYSA-N 1 2 249.314 1.735 20 0 BDADLO CCOC[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000128038699 388736264 /nfs/dbraw/zinc/73/62/64/388736264.db2.gz PMUXBSDAKILIJN-VIFPVBQESA-N 1 2 225.279 1.359 20 0 BDADLO CCOC[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000128038699 388736265 /nfs/dbraw/zinc/73/62/65/388736265.db2.gz PMUXBSDAKILIJN-VIFPVBQESA-N 1 2 225.279 1.359 20 0 BDADLO O=C(CC1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000522257970 388737718 /nfs/dbraw/zinc/73/77/18/388737718.db2.gz JIECDMWUWFYOOW-UHFFFAOYSA-N 1 2 205.261 1.067 20 0 BDADLO C[N@H+](Cc1csnn1)CC1(O)CCCC1 ZINC000128078634 388738246 /nfs/dbraw/zinc/73/82/46/388738246.db2.gz HXTHTKYEEAITQW-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO C[N@@H+](Cc1csnn1)CC1(O)CCCC1 ZINC000128078634 388738247 /nfs/dbraw/zinc/73/82/47/388738247.db2.gz HXTHTKYEEAITQW-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO CS[C@H](CO)[C@H](C)Nc1cccc[nH+]1 ZINC000227058671 388740094 /nfs/dbraw/zinc/74/00/94/388740094.db2.gz SDHUBWAPEHSQOZ-DTWKUNHWSA-N 1 2 212.318 1.606 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000128211453 388741285 /nfs/dbraw/zinc/74/12/85/388741285.db2.gz RHLFTDLPVXFVHI-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000128211453 388741288 /nfs/dbraw/zinc/74/12/88/388741288.db2.gz RHLFTDLPVXFVHI-DTWKUNHWSA-N 1 2 210.277 1.592 20 0 BDADLO CCCC[C@@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000649033857 388745515 /nfs/dbraw/zinc/74/55/15/388745515.db2.gz FUBJSUIEFJXZFF-LBPRGKRZSA-N 1 2 239.319 1.389 20 0 BDADLO Cn1c[nH+]c2cc(Nc3cccnn3)ccc21 ZINC000553157258 388750123 /nfs/dbraw/zinc/75/01/23/388750123.db2.gz YJHDBSHPUMHXMH-UHFFFAOYSA-N 1 2 225.255 1.529 20 0 BDADLO CC[C@H](C)C[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000649054333 388753782 /nfs/dbraw/zinc/75/37/82/388753782.db2.gz ZOJYHXLLDYSAHO-WPRPVWTQSA-N 1 2 239.319 1.245 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCCO1 ZINC000126082117 388688087 /nfs/dbraw/zinc/68/80/87/388688087.db2.gz BRSAVCKCLNXSMA-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCCO1 ZINC000126082117 388688090 /nfs/dbraw/zinc/68/80/90/388688090.db2.gz BRSAVCKCLNXSMA-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248864183 388696466 /nfs/dbraw/zinc/69/64/66/388696466.db2.gz AREDCPQVQARCIE-DGCLKSJQSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000248864183 388696470 /nfs/dbraw/zinc/69/64/70/388696470.db2.gz AREDCPQVQARCIE-DGCLKSJQSA-N 1 2 242.363 1.402 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248874930 388697771 /nfs/dbraw/zinc/69/77/71/388697771.db2.gz CIEMEFMBTURULW-ZYHUDNBSSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000248874930 388697772 /nfs/dbraw/zinc/69/77/72/388697772.db2.gz CIEMEFMBTURULW-ZYHUDNBSSA-N 1 2 229.320 1.439 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cncc(F)c1 ZINC000126582135 388698821 /nfs/dbraw/zinc/69/88/21/388698821.db2.gz ZAQHUHWIDSUWCZ-UHFFFAOYSA-N 1 2 247.229 1.877 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCOC)o1 ZINC000066379182 388717142 /nfs/dbraw/zinc/71/71/42/388717142.db2.gz CBVPSJHGUFPERE-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCOC)o1 ZINC000066379182 388717145 /nfs/dbraw/zinc/71/71/45/388717145.db2.gz CBVPSJHGUFPERE-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)O1 ZINC000552558800 388725100 /nfs/dbraw/zinc/72/51/00/388725100.db2.gz JIPZAHPEPPTKHB-BBBLOLIVSA-N 1 2 237.303 1.545 20 0 BDADLO Cc1nc(NCc2ncccc2F)cc[nH+]1 ZINC000127669130 388730431 /nfs/dbraw/zinc/73/04/31/388730431.db2.gz IBBLNTPVTKRDDW-UHFFFAOYSA-N 1 2 218.235 1.931 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCOC(C)(C)C1 ZINC000067226483 388730826 /nfs/dbraw/zinc/73/08/26/388730826.db2.gz PUGYCNYAUMQEBL-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CCOC(C)(C)C1 ZINC000067226483 388730828 /nfs/dbraw/zinc/73/08/28/388730828.db2.gz PUGYCNYAUMQEBL-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCSCC1 ZINC000068549700 388792682 /nfs/dbraw/zinc/79/26/82/388792682.db2.gz AFHHPVAEWLXXFA-UHFFFAOYSA-N 1 2 247.323 1.523 20 0 BDADLO Cc1ccsc1CNC(=O)Cc1c[nH+]cn1C ZINC000554407150 388813468 /nfs/dbraw/zinc/81/34/68/388813468.db2.gz DLLWOBBATLLQQM-UHFFFAOYSA-N 1 2 249.339 1.649 20 0 BDADLO C[N@@H+](Cc1ccno1)C[C@H](O)C(F)(F)F ZINC000540319114 388801996 /nfs/dbraw/zinc/80/19/96/388801996.db2.gz JPYRHOCRGXLRJN-ZETCQYMHSA-N 1 2 224.182 1.030 20 0 BDADLO C[N@H+](Cc1ccno1)C[C@H](O)C(F)(F)F ZINC000540319114 388802000 /nfs/dbraw/zinc/80/20/00/388802000.db2.gz JPYRHOCRGXLRJN-ZETCQYMHSA-N 1 2 224.182 1.030 20 0 BDADLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000554195101 388803697 /nfs/dbraw/zinc/80/36/97/388803697.db2.gz VBPAKCYMUFKVEA-PJXYFTJBSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nc(N[C@@]2(C)CCO[C@H]2C)cc[nH+]1 ZINC000230099568 388814075 /nfs/dbraw/zinc/81/40/75/388814075.db2.gz CWIOOAVWWXTFMN-KWQFWETISA-N 1 2 207.277 1.764 20 0 BDADLO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H](CO)O1 ZINC000230009941 388809985 /nfs/dbraw/zinc/80/99/85/388809985.db2.gz KFUGTJWNDMJVRZ-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H](CO)O1 ZINC000230009941 388809989 /nfs/dbraw/zinc/80/99/89/388809989.db2.gz KFUGTJWNDMJVRZ-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC2CCC1CC2 ZINC000554358325 388809984 /nfs/dbraw/zinc/80/99/84/388809984.db2.gz IKZYBAWFNORUGF-HTAVTVPLSA-N 1 2 233.315 1.578 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCS[C@@H](CC)C1 ZINC000128514436 388768669 /nfs/dbraw/zinc/76/86/69/388768669.db2.gz BJRSLLMPVDPGJA-UWVGGRQHSA-N 1 2 231.361 1.765 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCS[C@@H](CC)C1 ZINC000128514436 388768674 /nfs/dbraw/zinc/76/86/74/388768674.db2.gz BJRSLLMPVDPGJA-UWVGGRQHSA-N 1 2 231.361 1.765 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000555224093 388844012 /nfs/dbraw/zinc/84/40/12/388844012.db2.gz ZUYUCRQUHDSQOT-UWVGGRQHSA-N 1 2 207.277 1.140 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C1CCC1 ZINC000554491755 388817423 /nfs/dbraw/zinc/81/74/23/388817423.db2.gz MTDPUZNPUMTVHP-ZDUSSCGKSA-N 1 2 247.342 1.754 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000554515163 388818519 /nfs/dbraw/zinc/81/85/19/388818519.db2.gz YAFFQCUYBHJAGS-GDNZZTSVSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H](C)C1 ZINC000554556810 388820331 /nfs/dbraw/zinc/82/03/31/388820331.db2.gz CXNMNCLBMKJODL-NWDGAFQWSA-N 1 2 235.331 1.778 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)[nH]n1 ZINC000230314469 388824754 /nfs/dbraw/zinc/82/47/54/388824754.db2.gz TVCZJOPHMZPIQJ-MNOVXSKESA-N 1 2 207.277 1.067 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCc2cncnc2C1 ZINC000554853591 388832617 /nfs/dbraw/zinc/83/26/17/388832617.db2.gz WUKWXQYPQGLLRX-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO Oc1cccnc1C[N@H+]1CCc2cncnc2C1 ZINC000554853591 388832619 /nfs/dbraw/zinc/83/26/19/388832619.db2.gz WUKWXQYPQGLLRX-UHFFFAOYSA-N 1 2 242.282 1.136 20 0 BDADLO CC[C@H](CCO)CNc1nc(C)[nH+]cc1C ZINC000555034075 388837989 /nfs/dbraw/zinc/83/79/89/388837989.db2.gz NMLOQHPJZLBBQX-LLVKDONJSA-N 1 2 223.320 1.336 20 0 BDADLO CC[C@@H](CCO)CNc1nc(C)[nH+]cc1C ZINC000555034076 388839123 /nfs/dbraw/zinc/83/91/23/388839123.db2.gz NMLOQHPJZLBBQX-NSHDSACASA-N 1 2 223.320 1.336 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](C)OC ZINC000541074081 388839357 /nfs/dbraw/zinc/83/93/57/388839357.db2.gz JDLINUDJXYRKGF-UWVGGRQHSA-N 1 2 247.360 1.002 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@H](C)OC ZINC000541074081 388839358 /nfs/dbraw/zinc/83/93/58/388839358.db2.gz JDLINUDJXYRKGF-UWVGGRQHSA-N 1 2 247.360 1.002 20 0 BDADLO O=C(c1ccoc1)N1CC(n2cc[nH+]c2)C1 ZINC000523699965 388854213 /nfs/dbraw/zinc/85/42/13/388854213.db2.gz FFPFQVYSDZXEPW-UHFFFAOYSA-N 1 2 217.228 1.173 20 0 BDADLO CC(C)CC(=O)NCCc1c[nH+]cn1C ZINC000541552197 388856567 /nfs/dbraw/zinc/85/65/67/388856567.db2.gz XLPFDBSNRNVMMC-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1CCCCC1 ZINC000541551282 388856738 /nfs/dbraw/zinc/85/67/38/388856738.db2.gz ITKMOJMDNAWTAW-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000555634884 388857462 /nfs/dbraw/zinc/85/74/62/388857462.db2.gz KZQBAXOWMYUZOG-VHSXEESVSA-N 1 2 223.324 1.313 20 0 BDADLO CCCCn1nnnc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000555634884 388857464 /nfs/dbraw/zinc/85/74/64/388857464.db2.gz KZQBAXOWMYUZOG-VHSXEESVSA-N 1 2 223.324 1.313 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ncoc1C1CC1 ZINC000556028448 388865229 /nfs/dbraw/zinc/86/52/29/388865229.db2.gz OQMYARHXHBXTRN-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO CC(C)CC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000564643602 388881226 /nfs/dbraw/zinc/88/12/26/388881226.db2.gz QMTRSHPJOCGASQ-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CCC1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000564643621 388882181 /nfs/dbraw/zinc/88/21/81/388882181.db2.gz GRTMFUHPQJNUSO-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CC1(CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000564694597 388885063 /nfs/dbraw/zinc/88/50/63/388885063.db2.gz KJGBMWGKYUZYHJ-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO CC1(CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000564694597 388885060 /nfs/dbraw/zinc/88/50/60/388885060.db2.gz KJGBMWGKYUZYHJ-VIFPVBQESA-N 1 2 233.315 1.573 20 0 BDADLO O=C1C[C@@H](CSc2[nH+]cc3ccccn32)CN1 ZINC000565240299 388930751 /nfs/dbraw/zinc/93/07/51/388930751.db2.gz URLLJGBTWKKJIV-SECBINFHSA-N 1 2 247.323 1.563 20 0 BDADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000153049798 388933500 /nfs/dbraw/zinc/93/35/00/388933500.db2.gz MCCCCMQWCNWBQO-SNVBAGLBSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@H]1CF)n1cc[nH+]c1 ZINC000565660073 388960100 /nfs/dbraw/zinc/96/01/00/388960100.db2.gz ITDYLTXYIQYSIF-MNOVXSKESA-N 1 2 239.294 1.795 20 0 BDADLO CC=CC=CC(=O)NCc1[nH]c[nH+]c1C ZINC000267867196 389002347 /nfs/dbraw/zinc/00/23/47/389002347.db2.gz JHRKCNIUPQRDJO-VNKDHWASSA-N 1 2 205.261 1.467 20 0 BDADLO Cc1nc(CN(C)CCc2cc[nH+]cc2C)no1 ZINC000565889199 388977028 /nfs/dbraw/zinc/97/70/28/388977028.db2.gz LULLYRNAGSJPMM-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2ccncc2C)no1 ZINC000565889199 388977021 /nfs/dbraw/zinc/97/70/21/388977021.db2.gz LULLYRNAGSJPMM-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2ccncc2C)no1 ZINC000565889199 388977024 /nfs/dbraw/zinc/97/70/24/388977024.db2.gz LULLYRNAGSJPMM-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO CO[C@H](C[NH2+]Cc1cn[nH]c1C)C(C)C ZINC000266618350 388996597 /nfs/dbraw/zinc/99/65/97/388996597.db2.gz KPZHVMWPTGIZNO-LLVKDONJSA-N 1 2 211.309 1.479 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC[C@H]1CCCO1 ZINC000266982518 388997643 /nfs/dbraw/zinc/99/76/43/388997643.db2.gz QPSPIAJOECFHQK-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O=C1C[C@H](Nc2cccc[nH+]2)CN1C1CC1 ZINC000267584663 389000514 /nfs/dbraw/zinc/00/05/14/389000514.db2.gz BYGKHBIKFDHUPY-VIFPVBQESA-N 1 2 217.272 1.257 20 0 BDADLO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000272122092 389029072 /nfs/dbraw/zinc/02/90/72/389029072.db2.gz ZXLKXIGCZAXRKS-LLVKDONJSA-N 1 2 223.320 1.296 20 0 BDADLO Cc1cc(N2CC[C@@H](O)C(C)(C)C2)nc[nH+]1 ZINC000303797105 132286667 /nfs/dbraw/zinc/28/66/67/132286667.db2.gz HZQJKJAHRYPVGS-SNVBAGLBSA-N 1 2 221.304 1.382 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cscn1 ZINC000188498404 169689325 /nfs/dbraw/zinc/68/93/25/169689325.db2.gz WFXZKWOKDTVCHB-QMMMGPOBSA-N 1 2 227.333 1.100 20 0 BDADLO CCC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000263763757 168210249 /nfs/dbraw/zinc/21/02/49/168210249.db2.gz LTINPMYQGXWQMQ-UHFFFAOYSA-N 1 2 211.290 1.438 20 0 BDADLO C[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000063282790 322818977 /nfs/dbraw/zinc/81/89/77/322818977.db2.gz AJQHASYXXAHKCU-JTQLQIEISA-N 1 2 245.330 1.990 20 0 BDADLO O=c1sccn1Cc1[nH]c2ccccc2[nH+]1 ZINC000533468392 322820598 /nfs/dbraw/zinc/82/05/98/322820598.db2.gz RLVWGODJEAHDMY-UHFFFAOYSA-N 1 2 231.280 1.834 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)C1CC1 ZINC000493712587 533352424 /nfs/dbraw/zinc/35/24/24/533352424.db2.gz VUVZRNDFKHPSDH-WZRBSPASSA-N 1 2 241.331 1.079 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]1OC)C1CC1 ZINC000300009580 533352928 /nfs/dbraw/zinc/35/29/28/533352928.db2.gz OPQMLLDBJBNDQY-GMTAPVOTSA-N 1 2 227.304 1.095 20 0 BDADLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1C ZINC000492759729 533444474 /nfs/dbraw/zinc/44/44/74/533444474.db2.gz CQJOAFZZCCIONW-OIFMLDNNSA-N 1 2 249.314 1.306 20 0 BDADLO COC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@@H](C)O1 ZINC000276045453 132205851 /nfs/dbraw/zinc/20/58/51/132205851.db2.gz PVRICSIVZIIKPY-KOLCDFICSA-N 1 2 237.303 1.025 20 0 BDADLO C[C@H]1COCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000285978951 132214036 /nfs/dbraw/zinc/21/40/36/132214036.db2.gz BRMSHMSNCIPYGI-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO C[C@H]1COCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC000285978951 132214038 /nfs/dbraw/zinc/21/40/38/132214038.db2.gz BRMSHMSNCIPYGI-NSHDSACASA-N 1 2 248.330 1.302 20 0 BDADLO Fc1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC000290639055 132217155 /nfs/dbraw/zinc/21/71/55/132217155.db2.gz HVGMIUARWXHEQG-UHFFFAOYSA-N 1 2 218.235 1.437 20 0 BDADLO Cc1cc(N2CCC(O)CC2)nc(C(C)C)[nH+]1 ZINC000040417997 132223460 /nfs/dbraw/zinc/22/34/60/132223460.db2.gz MQGPCVUZPRRBMD-UHFFFAOYSA-N 1 2 235.331 1.870 20 0 BDADLO Cc1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)nc[nH+]1 ZINC000128804650 132233280 /nfs/dbraw/zinc/23/32/80/132233280.db2.gz YWVCAPZNIGYUJH-RYUDHWBXSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1cc(N2CCC[C@@](C)(CO)C2)nc[nH+]1 ZINC000132623359 132237016 /nfs/dbraw/zinc/23/70/16/132237016.db2.gz RIVUPPUQKXFWKV-GFCCVEGCSA-N 1 2 221.304 1.384 20 0 BDADLO COC(=O)[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000096497931 132242108 /nfs/dbraw/zinc/24/21/08/132242108.db2.gz RITASCSEKRCELI-JTQLQIEISA-N 1 2 235.287 1.174 20 0 BDADLO CO[C@H]1CCN(c2cccc[nH+]2)C[C@H]1C ZINC000336271508 132245862 /nfs/dbraw/zinc/24/58/62/132245862.db2.gz WVPHIXAGJKCBJI-MNOVXSKESA-N 1 2 206.289 1.943 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H](C)O1 ZINC000334050764 132246862 /nfs/dbraw/zinc/24/68/62/132246862.db2.gz RRPLJQDSUPJQIA-NXEZZACHSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@@H](C)O1 ZINC000334050764 132246863 /nfs/dbraw/zinc/24/68/63/132246863.db2.gz RRPLJQDSUPJQIA-NXEZZACHSA-N 1 2 248.330 1.665 20 0 BDADLO CCCC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000336379037 132247474 /nfs/dbraw/zinc/24/74/74/132247474.db2.gz NWSDANGOXUNUNZ-UHFFFAOYSA-N 1 2 247.342 1.839 20 0 BDADLO COCC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000301242684 132252295 /nfs/dbraw/zinc/25/22/95/132252295.db2.gz OYHBRSCZMLOXCE-UHFFFAOYSA-N 1 2 221.304 1.648 20 0 BDADLO Cc1nc(N2CCC[C@H](CO)C2)c(C)c(C)[nH+]1 ZINC000301447421 132253587 /nfs/dbraw/zinc/25/35/87/132253587.db2.gz RNDIQQAODXEKDF-LBPRGKRZSA-N 1 2 235.331 1.611 20 0 BDADLO Cc1cc(N2CCO[C@H](C)[C@H]2C)nc[nH+]1 ZINC000301700138 132256401 /nfs/dbraw/zinc/25/64/01/132256401.db2.gz FKNPUDDRHOQGCS-NXEZZACHSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1nc(N2CCc3n[nH]cc3C2)c(C)c(C)[nH+]1 ZINC000301707448 132256805 /nfs/dbraw/zinc/25/68/05/132256805.db2.gz WDJYTFKEYSVSHT-UHFFFAOYSA-N 1 2 243.314 1.688 20 0 BDADLO Nc1nc(N2CCC[C@H](O)C2)[nH+]c2ccccc12 ZINC000301754926 132257241 /nfs/dbraw/zinc/25/72/41/132257241.db2.gz CVFMEBXFYAFCLO-VIFPVBQESA-N 1 2 244.298 1.173 20 0 BDADLO C[C@@H]1C[C@H]1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000357325267 132273509 /nfs/dbraw/zinc/27/35/09/132273509.db2.gz MPBKFBVNAJHXGF-MNOVXSKESA-N 1 2 248.330 1.381 20 0 BDADLO C[C@@H]1C[C@H]1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000357325267 132273510 /nfs/dbraw/zinc/27/35/10/132273510.db2.gz MPBKFBVNAJHXGF-MNOVXSKESA-N 1 2 248.330 1.381 20 0 BDADLO COC[C@H](C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360638475 132279420 /nfs/dbraw/zinc/27/94/20/132279420.db2.gz ZXYNYCGVDGUGAA-LBPRGKRZSA-N 1 2 248.326 1.370 20 0 BDADLO COC[C@H](C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360638475 132279422 /nfs/dbraw/zinc/27/94/22/132279422.db2.gz ZXYNYCGVDGUGAA-LBPRGKRZSA-N 1 2 248.326 1.370 20 0 BDADLO Cc1cc(N2CCO[C@H](C3CC3)C2)nc[nH+]1 ZINC000362682916 132281834 /nfs/dbraw/zinc/28/18/34/132281834.db2.gz IDESHUUPZCKJOE-NSHDSACASA-N 1 2 219.288 1.400 20 0 BDADLO O=c1[nH]ccc2c1CN(c1cccc[nH+]1)CC2 ZINC000369595189 132284552 /nfs/dbraw/zinc/28/45/52/132284552.db2.gz NLKLTCLHMZNLHE-UHFFFAOYSA-N 1 2 227.267 1.745 20 0 BDADLO Cc1nc(N2CCC3(CCO3)CC2)cc[nH+]1 ZINC000374495304 132287297 /nfs/dbraw/zinc/28/72/97/132287297.db2.gz IJXFKYKFUXULSH-UHFFFAOYSA-N 1 2 219.288 1.544 20 0 BDADLO Cc1nc(N2CCOC[C@@H]2[C@@H]2CCCO2)cc[nH+]1 ZINC000376260106 132289031 /nfs/dbraw/zinc/28/90/31/132289031.db2.gz KHBXEKONVNSFDU-NEPJUHHUSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N2CCOC[C@H]2[C@H]2CCCO2)cc[nH+]1 ZINC000376260107 132289044 /nfs/dbraw/zinc/28/90/44/132289044.db2.gz KHBXEKONVNSFDU-NWDGAFQWSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N2CCOC[C@H]2[C@@H]2CCCO2)cc[nH+]1 ZINC000376260108 132289103 /nfs/dbraw/zinc/28/91/03/132289103.db2.gz KHBXEKONVNSFDU-RYUDHWBXSA-N 1 2 249.314 1.169 20 0 BDADLO CN(C)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000125249267 132297585 /nfs/dbraw/zinc/29/75/85/132297585.db2.gz ZYMSKNCQPDXKHW-NSHDSACASA-N 1 2 248.330 1.322 20 0 BDADLO C[C@H]1OCCN(c2nc[nH+]c(N)c2Cl)[C@H]1C ZINC000277743369 132306483 /nfs/dbraw/zinc/30/64/83/132306483.db2.gz JGIACTVTHULROK-NKWVEPMBSA-N 1 2 242.710 1.326 20 0 BDADLO Cc1nc(N2CCC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000294920365 132307722 /nfs/dbraw/zinc/30/77/22/132307722.db2.gz GOGGWJNDURSACU-PSASIEDQSA-N 1 2 207.277 1.135 20 0 BDADLO CC1(CO)CCN(c2cccc[nH+]2)CC1 ZINC000302141443 132308574 /nfs/dbraw/zinc/30/85/74/132308574.db2.gz HBESUERQZLNODG-UHFFFAOYSA-N 1 2 206.289 1.680 20 0 BDADLO Cc1cc(N2CCC(c3nnco3)CC2)nc[nH+]1 ZINC000072381851 132397113 /nfs/dbraw/zinc/39/71/13/132397113.db2.gz AYAKTLGPVDEISL-UHFFFAOYSA-N 1 2 245.286 1.552 20 0 BDADLO CSCC(=O)Nc1c(C)cc[nH+]c1C ZINC000335528237 133876114 /nfs/dbraw/zinc/87/61/14/133876114.db2.gz FONQNTXJFKGFED-UHFFFAOYSA-N 1 2 210.302 2.000 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccnn1C ZINC000335528163 133876131 /nfs/dbraw/zinc/87/61/31/133876131.db2.gz AHUUNJMYZBDXDX-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000335851860 133938370 /nfs/dbraw/zinc/93/83/70/133938370.db2.gz CAHRKKFXQJNOMB-RYUDHWBXSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000335851860 133938371 /nfs/dbraw/zinc/93/83/71/133938371.db2.gz CAHRKKFXQJNOMB-RYUDHWBXSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)Nc1ccn(C)n1 ZINC000351923296 134006722 /nfs/dbraw/zinc/00/67/22/134006722.db2.gz SSKSWQUBHXTEDF-UHFFFAOYSA-N 1 2 245.286 1.498 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cccc3nccn32)C1 ZINC000335929106 134009964 /nfs/dbraw/zinc/00/99/64/134009964.db2.gz DSZMJTQGZOKBKZ-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000335929106 134009965 /nfs/dbraw/zinc/00/99/65/134009965.db2.gz DSZMJTQGZOKBKZ-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@@]1(F)CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000335929106 134009966 /nfs/dbraw/zinc/00/99/66/134009966.db2.gz DSZMJTQGZOKBKZ-CYBMUJFWSA-N 1 2 249.289 1.241 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335931545 134010979 /nfs/dbraw/zinc/01/09/79/134010979.db2.gz KJIULDOIULJCOU-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO CCc1nc(C[N@@H+]2CCCOCC2)cs1 ZINC000335941196 134017257 /nfs/dbraw/zinc/01/72/57/134017257.db2.gz LACUJLWGVPZWGS-UHFFFAOYSA-N 1 2 226.345 1.928 20 0 BDADLO CCc1nc(C[N@H+]2CCCOCC2)cs1 ZINC000335941196 134017258 /nfs/dbraw/zinc/01/72/58/134017258.db2.gz LACUJLWGVPZWGS-UHFFFAOYSA-N 1 2 226.345 1.928 20 0 BDADLO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000335958228 134023990 /nfs/dbraw/zinc/02/39/90/134023990.db2.gz GOIPAXVFDCJUTO-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO C[C@H]1CCCN1C(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000335958228 134023991 /nfs/dbraw/zinc/02/39/91/134023991.db2.gz GOIPAXVFDCJUTO-JTQLQIEISA-N 1 2 246.301 1.728 20 0 BDADLO CC[C@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022131 134055794 /nfs/dbraw/zinc/05/57/94/134055794.db2.gz AHSBAEPOFSHSKE-DTWKUNHWSA-N 1 2 236.319 1.365 20 0 BDADLO CC[C@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022131 134055795 /nfs/dbraw/zinc/05/57/95/134055795.db2.gz AHSBAEPOFSHSKE-DTWKUNHWSA-N 1 2 236.319 1.365 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1ccsc1 ZINC000336071631 134072009 /nfs/dbraw/zinc/07/20/09/134072009.db2.gz JMZHVMQVOSZTGX-UHFFFAOYSA-N 1 2 236.300 1.803 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336100814 134083393 /nfs/dbraw/zinc/08/33/93/134083393.db2.gz JLBANXMRMNUBEG-UWVGGRQHSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1nc(C[N@H+]2CCSCC[C@@H]2C)no1 ZINC000336121161 134091596 /nfs/dbraw/zinc/09/15/96/134091596.db2.gz TZZBAGHEVIUPOO-QMMMGPOBSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1nc(C[N@@H+]2CCSCC[C@@H]2C)no1 ZINC000336121161 134091597 /nfs/dbraw/zinc/09/15/97/134091597.db2.gz TZZBAGHEVIUPOO-QMMMGPOBSA-N 1 2 227.333 1.705 20 0 BDADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](O)C2)c(C)[nH+]1 ZINC000336145029 134105198 /nfs/dbraw/zinc/10/51/98/134105198.db2.gz MVLHVVSSUGKSMO-LLVKDONJSA-N 1 2 249.314 1.605 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCOC2)nc1 ZINC000352223553 134109915 /nfs/dbraw/zinc/10/99/15/134109915.db2.gz WHQLNKITNANPRL-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCCOC2)nc1 ZINC000352223553 134109916 /nfs/dbraw/zinc/10/99/16/134109916.db2.gz WHQLNKITNANPRL-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000352267271 134128935 /nfs/dbraw/zinc/12/89/35/134128935.db2.gz SGPCBJSSFXUERJ-UHFFFAOYSA-N 1 2 249.362 1.804 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CCCC2(CC2)C1 ZINC000352267271 134128936 /nfs/dbraw/zinc/12/89/36/134128936.db2.gz SGPCBJSSFXUERJ-UHFFFAOYSA-N 1 2 249.362 1.804 20 0 BDADLO C(c1nnnn1C1CC1)[N@@H+]1CCCC2(CC2)C1 ZINC000352280707 134129985 /nfs/dbraw/zinc/12/99/85/134129985.db2.gz SVEMOYMLDUPHGG-UHFFFAOYSA-N 1 2 233.319 1.384 20 0 BDADLO C(c1nnnn1C1CC1)[N@H+]1CCCC2(CC2)C1 ZINC000352280707 134129986 /nfs/dbraw/zinc/12/99/86/134129986.db2.gz SVEMOYMLDUPHGG-UHFFFAOYSA-N 1 2 233.319 1.384 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cs1 ZINC000336207492 134132820 /nfs/dbraw/zinc/13/28/20/134132820.db2.gz UNOFYPAXGMALMC-JTQLQIEISA-N 1 2 248.298 1.653 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cs1 ZINC000336207492 134132821 /nfs/dbraw/zinc/13/28/21/134132821.db2.gz UNOFYPAXGMALMC-JTQLQIEISA-N 1 2 248.298 1.653 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccncc2F)C[C@@H](C)O1 ZINC000336211312 134134610 /nfs/dbraw/zinc/13/46/10/134134610.db2.gz KTMQWZIIKQDQDZ-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccncc1F ZINC000336213148 134135778 /nfs/dbraw/zinc/13/57/78/134135778.db2.gz HWGGPINGPZUBAT-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccncc1F ZINC000336213148 134135779 /nfs/dbraw/zinc/13/57/79/134135779.db2.gz HWGGPINGPZUBAT-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336215211 134135980 /nfs/dbraw/zinc/13/59/80/134135980.db2.gz COSYBKMSOCJVMK-SNVBAGLBSA-N 1 2 212.272 1.139 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000174757799 134283139 /nfs/dbraw/zinc/28/31/39/134283139.db2.gz FCTNVUMLNBYVSG-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CO[C@H](C)c1noc(C[NH+]2CCCC2)n1 ZINC000175060887 134284360 /nfs/dbraw/zinc/28/43/60/134284360.db2.gz YAYXOBRUOYLSBE-MRVPVSSYSA-N 1 2 211.265 1.373 20 0 BDADLO c1cn(-c2ccc(Cn3cc[nH+]c3)cn2)cn1 ZINC000176997546 134295317 /nfs/dbraw/zinc/29/53/17/134295317.db2.gz MSBOMVPNGHMWCI-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO COc1cccc(C[N@@H+]2CCOCC23CCC3)n1 ZINC000178484070 134307199 /nfs/dbraw/zinc/30/71/99/134307199.db2.gz VGKSZUBSQVFOGG-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cccc(C[N@H+]2CCOCC23CCC3)n1 ZINC000178484070 134307200 /nfs/dbraw/zinc/30/72/00/134307200.db2.gz VGKSZUBSQVFOGG-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000178390468 134309371 /nfs/dbraw/zinc/30/93/71/134309371.db2.gz KLEQJJHASZZQKF-SECBINFHSA-N 1 2 207.277 1.045 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178816612 134315675 /nfs/dbraw/zinc/31/56/75/134315675.db2.gz GGDIBRVNLAUKEA-NWDGAFQWSA-N 1 2 249.358 1.950 20 0 BDADLO CCOC(=O)C[N@@H+](Cc1c[nH]nc1C)C(C)C ZINC000179425600 134320903 /nfs/dbraw/zinc/32/09/03/134320903.db2.gz KVNROTJYTUTWSV-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000182896462 134349538 /nfs/dbraw/zinc/34/95/38/134349538.db2.gz IDKFTWLYWLGUGZ-NEPJUHHUSA-N 1 2 242.363 1.117 20 0 BDADLO CC[C@@](C)(CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000183344972 134350937 /nfs/dbraw/zinc/35/09/37/134350937.db2.gz NSQULUXTYKDICS-ZDUSSCGKSA-N 1 2 247.298 1.225 20 0 BDADLO O=C1C[C@H](Nc2ccc3ccccc3[nH+]2)CN1 ZINC000225826453 134355813 /nfs/dbraw/zinc/35/58/13/134355813.db2.gz VQURHMCRSKTJMM-JTQLQIEISA-N 1 2 227.267 1.535 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@@H]2CCCO2)[nH]1 ZINC000184576629 134363488 /nfs/dbraw/zinc/36/34/88/134363488.db2.gz HPIUHIPLVGNYQN-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@@H]2CCCO2)[nH]1 ZINC000184576629 134363489 /nfs/dbraw/zinc/36/34/89/134363489.db2.gz HPIUHIPLVGNYQN-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](CO)CC(C)C)no1 ZINC000185330829 134376830 /nfs/dbraw/zinc/37/68/30/134376830.db2.gz JJQAFHAPIYCUKX-JTQLQIEISA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](CO)CC(C)C)no1 ZINC000185330829 134376831 /nfs/dbraw/zinc/37/68/31/134376831.db2.gz JJQAFHAPIYCUKX-JTQLQIEISA-N 1 2 227.308 1.217 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)C(=O)N1CCCCC1 ZINC000192294056 134583671 /nfs/dbraw/zinc/58/36/71/134583671.db2.gz YFMYIIUSMAXEHF-JTQLQIEISA-N 1 2 237.303 1.165 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCCO1 ZINC000247171249 134974293 /nfs/dbraw/zinc/97/42/93/134974293.db2.gz UCYBTXFRUUDJBF-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H]1CCCO1 ZINC000247171249 134974295 /nfs/dbraw/zinc/97/42/95/134974295.db2.gz UCYBTXFRUUDJBF-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C)[C@H]2C)no1 ZINC000248370681 135000424 /nfs/dbraw/zinc/00/04/24/135000424.db2.gz XUNKHGDOLIRBGG-DTWKUNHWSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C)[C@H]2C)no1 ZINC000248370681 135000426 /nfs/dbraw/zinc/00/04/26/135000426.db2.gz XUNKHGDOLIRBGG-DTWKUNHWSA-N 1 2 209.293 1.862 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC(F)(F)F ZINC000070650808 135003122 /nfs/dbraw/zinc/00/31/22/135003122.db2.gz PUWZAQCCRGJPRY-UHFFFAOYSA-N 1 2 221.182 1.321 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000070651465 135003146 /nfs/dbraw/zinc/00/31/46/135003146.db2.gz IIKOAXVGCORNMM-UHFFFAOYSA-N 1 2 219.219 1.479 20 0 BDADLO Cc1ccoc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651469 135005622 /nfs/dbraw/zinc/00/56/22/135005622.db2.gz YCMYTAQLTMNBRD-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070651471 135005702 /nfs/dbraw/zinc/00/57/02/135005702.db2.gz MZNBMMBKWBEPAN-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)C(=O)OC ZINC000248708248 135019235 /nfs/dbraw/zinc/01/92/35/135019235.db2.gz BIHJLMPDGFXJED-ZOBORPQBSA-N 1 2 245.322 1.866 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@H](C)O ZINC000249037370 135030305 /nfs/dbraw/zinc/03/03/05/135030305.db2.gz GFMVGXKLHXZZOR-FIQHERPVSA-N 1 2 245.363 1.713 20 0 BDADLO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC000249037374 135031138 /nfs/dbraw/zinc/03/11/38/135031138.db2.gz GFMVGXKLHXZZOR-WHOHXGKFSA-N 1 2 245.363 1.713 20 0 BDADLO CCc1nnc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)[nH]1 ZINC000249290135 135036280 /nfs/dbraw/zinc/03/62/80/135036280.db2.gz KEQRIAQONOCEJD-ZJUUUORDSA-N 1 2 238.335 1.102 20 0 BDADLO CCc1nnc(C[N@H+]2[C@H](C)CCC[C@H]2CO)[nH]1 ZINC000249290135 135036281 /nfs/dbraw/zinc/03/62/81/135036281.db2.gz KEQRIAQONOCEJD-ZJUUUORDSA-N 1 2 238.335 1.102 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249377408 135037807 /nfs/dbraw/zinc/03/78/07/135037807.db2.gz LXXOUZJEVNLQDJ-VHSXEESVSA-N 1 2 237.303 1.151 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249377408 135037809 /nfs/dbraw/zinc/03/78/09/135037809.db2.gz LXXOUZJEVNLQDJ-VHSXEESVSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1ncccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000086549284 135088424 /nfs/dbraw/zinc/08/84/24/135088424.db2.gz PSBZKTXXAJYOJK-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1ncccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000086549284 135088425 /nfs/dbraw/zinc/08/84/25/135088425.db2.gz PSBZKTXXAJYOJK-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO C[N@H+](Cc1cnc(N)s1)Cc1ccccn1 ZINC000086765811 135096333 /nfs/dbraw/zinc/09/63/33/135096333.db2.gz VEAWSTAGRUHZRX-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO C[N@@H+](Cc1cnc(N)s1)Cc1ccccn1 ZINC000086765811 135096335 /nfs/dbraw/zinc/09/63/35/135096335.db2.gz VEAWSTAGRUHZRX-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnc(N)s2)C[C@@H](C)O1 ZINC000086765608 135096527 /nfs/dbraw/zinc/09/65/27/135096527.db2.gz ZEEDAKRHJFWZMU-HTQZYQBOSA-N 1 2 227.333 1.335 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cccc[nH+]2)[C@@H]1C ZINC000259482926 135142605 /nfs/dbraw/zinc/14/26/05/135142605.db2.gz CCKNASCOTPWASB-NXEZZACHSA-N 1 2 220.272 1.469 20 0 BDADLO CC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000078734879 135146256 /nfs/dbraw/zinc/14/62/56/135146256.db2.gz AJAJKEVAEXCVLQ-NSHDSACASA-N 1 2 242.269 1.704 20 0 BDADLO C[C@]1(O)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000267029422 135150735 /nfs/dbraw/zinc/15/07/35/135150735.db2.gz AQMUNZWMGPPGIC-LBPRGKRZSA-N 1 2 219.288 1.315 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000087710154 135166644 /nfs/dbraw/zinc/16/66/44/135166644.db2.gz YWAYWCXASQPUHE-MNOVXSKESA-N 1 2 241.331 1.487 20 0 BDADLO Cc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081788 135182379 /nfs/dbraw/zinc/18/23/79/135182379.db2.gz XRALCZSAYIUUAK-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO Cc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081788 135182380 /nfs/dbraw/zinc/18/23/80/135182380.db2.gz XRALCZSAYIUUAK-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc(Cl)c[nH]1 ZINC000084081712 135182531 /nfs/dbraw/zinc/18/25/31/135182531.db2.gz CVJKNHQVRQICLQ-UHFFFAOYSA-N 1 2 224.651 1.321 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc(Cl)c[nH]1 ZINC000084081712 135182532 /nfs/dbraw/zinc/18/25/32/135182532.db2.gz CVJKNHQVRQICLQ-UHFFFAOYSA-N 1 2 224.651 1.321 20 0 BDADLO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000164097854 135213702 /nfs/dbraw/zinc/21/37/02/135213702.db2.gz JRWAJWRQTWVWRP-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nnnn2C)ccc1F ZINC000342349473 135260916 /nfs/dbraw/zinc/26/09/16/135260916.db2.gz YSJQWTMPRDXBGF-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000342319688 135264436 /nfs/dbraw/zinc/26/44/36/135264436.db2.gz NMJIMSNAFJSVBD-NXEZZACHSA-N 1 2 239.344 1.141 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342631967 135298312 /nfs/dbraw/zinc/29/83/12/135298312.db2.gz LKTJEEINZQFNMO-LLVKDONJSA-N 1 2 238.331 1.968 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342631967 135298314 /nfs/dbraw/zinc/29/83/14/135298314.db2.gz LKTJEEINZQFNMO-LLVKDONJSA-N 1 2 238.331 1.968 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)NCCn1cc[nH+]c1 ZINC000342653687 135307337 /nfs/dbraw/zinc/30/73/37/135307337.db2.gz CUHWNSBNTCAXDC-LLVKDONJSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nnnn1C ZINC000342709588 135313128 /nfs/dbraw/zinc/31/31/28/135313128.db2.gz KMWXYGIILDZVTD-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nnnn1C ZINC000342709588 135313129 /nfs/dbraw/zinc/31/31/29/135313129.db2.gz KMWXYGIILDZVTD-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO Cc1c[nH+]c(CN(C)CC(F)F)n1C ZINC000342779391 135317713 /nfs/dbraw/zinc/31/77/13/135317713.db2.gz LHJVEUXJTHHLKK-UHFFFAOYSA-N 1 2 203.236 1.425 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262937648 135323954 /nfs/dbraw/zinc/32/39/54/135323954.db2.gz IMUKTFKEACMBEN-SNVBAGLBSA-N 1 2 240.253 1.931 20 0 BDADLO O=C(Nc1ccccc1O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262941329 135324890 /nfs/dbraw/zinc/32/48/90/135324890.db2.gz IVBGAZIKMDWYBH-MRVPVSSYSA-N 1 2 242.225 1.328 20 0 BDADLO CN(Cc1ccco1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262968860 135325601 /nfs/dbraw/zinc/32/56/01/135325601.db2.gz LNWGLTLJAKJRCB-VIFPVBQESA-N 1 2 244.241 1.235 20 0 BDADLO Cc1c[nH+]c(CN(C)CC[C@H]2CCCO2)n1C ZINC000342770102 135326319 /nfs/dbraw/zinc/32/63/19/135326319.db2.gz VIYBPJXTYFMGTO-GFCCVEGCSA-N 1 2 237.347 1.729 20 0 BDADLO CCc1nnc([C@H](C)Nc2cc(C)[nH+]cn2)[nH]1 ZINC000342777912 135328494 /nfs/dbraw/zinc/32/84/94/135328494.db2.gz NCJZMDMPFOTJGZ-QMMMGPOBSA-N 1 2 232.291 1.639 20 0 BDADLO Cc1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263036828 135328498 /nfs/dbraw/zinc/32/84/98/135328498.db2.gz SJUSWIVMGUIRDD-QMMMGPOBSA-N 1 2 241.241 1.326 20 0 BDADLO CC(C)(C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263052580 135330058 /nfs/dbraw/zinc/33/00/58/135330058.db2.gz UQWHQCOGLAQQQP-MRVPVSSYSA-N 1 2 234.290 1.536 20 0 BDADLO CC[C@]1(C)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170299 135337268 /nfs/dbraw/zinc/33/72/68/135337268.db2.gz FQLLOAGZUOFIOI-MWLCHTKSSA-N 1 2 246.301 1.632 20 0 BDADLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000263224178 135340824 /nfs/dbraw/zinc/34/08/24/135340824.db2.gz MODCUOKAAIUACF-KXUCPTDWSA-N 1 2 244.285 1.242 20 0 BDADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000334294708 135341657 /nfs/dbraw/zinc/34/16/57/135341657.db2.gz UQCJZPDKFRXLJB-SECBINFHSA-N 1 2 249.236 1.299 20 0 BDADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000334294708 135341658 /nfs/dbraw/zinc/34/16/58/135341658.db2.gz UQCJZPDKFRXLJB-SECBINFHSA-N 1 2 249.236 1.299 20 0 BDADLO CCc1nocc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334301521 135346517 /nfs/dbraw/zinc/34/65/17/135346517.db2.gz XOQIVHAJTNRTNB-LLVKDONJSA-N 1 2 249.314 1.044 20 0 BDADLO CCc1nocc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334301521 135346519 /nfs/dbraw/zinc/34/65/19/135346519.db2.gz XOQIVHAJTNRTNB-LLVKDONJSA-N 1 2 249.314 1.044 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000334310442 135350668 /nfs/dbraw/zinc/35/06/68/135350668.db2.gz JFIFNIZZHHLLEO-NSHDSACASA-N 1 2 245.326 1.449 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000334310442 135350670 /nfs/dbraw/zinc/35/06/70/135350670.db2.gz JFIFNIZZHHLLEO-NSHDSACASA-N 1 2 245.326 1.449 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1(C)CC1)CCC2 ZINC000334330221 135354577 /nfs/dbraw/zinc/35/45/77/135354577.db2.gz OPKMCVPTGHQSNE-NSHDSACASA-N 1 2 247.342 1.985 20 0 BDADLO Cc1cc(N2CC[C@]3(C2)CCCOC3)nc[nH+]1 ZINC000343151843 135361068 /nfs/dbraw/zinc/36/10/68/135361068.db2.gz CCUZZZRGSBRPSX-ZDUSSCGKSA-N 1 2 233.315 1.792 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc(C3CCC3)n2C)[C@H]1C ZINC000334340526 135363424 /nfs/dbraw/zinc/36/34/24/135363424.db2.gz NADGXEYZLWQRJB-UWVGGRQHSA-N 1 2 234.347 1.923 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc(C3CCC3)n2C)[C@H]1C ZINC000334340526 135363426 /nfs/dbraw/zinc/36/34/26/135363426.db2.gz NADGXEYZLWQRJB-UWVGGRQHSA-N 1 2 234.347 1.923 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3cccc(F)c3)CCN12 ZINC000334345568 135366091 /nfs/dbraw/zinc/36/60/91/135366091.db2.gz UWZCFQCILOJEOO-ZDUSSCGKSA-N 1 2 248.301 1.632 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)CCN12 ZINC000334345568 135366092 /nfs/dbraw/zinc/36/60/92/135366092.db2.gz UWZCFQCILOJEOO-ZDUSSCGKSA-N 1 2 248.301 1.632 20 0 BDADLO CC(C)[C@@H]1CN(Cc2cncs2)CCO1 ZINC000334357717 135370244 /nfs/dbraw/zinc/37/02/44/135370244.db2.gz QRGHLUABHMUHHP-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000334357717 135370245 /nfs/dbraw/zinc/37/02/45/135370245.db2.gz QRGHLUABHMUHHP-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000334357717 135370247 /nfs/dbraw/zinc/37/02/47/135370247.db2.gz QRGHLUABHMUHHP-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO O=C(CC1CC1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000334368354 135374817 /nfs/dbraw/zinc/37/48/17/135374817.db2.gz SHEFUVJESQEXTN-CYBMUJFWSA-N 1 2 245.326 1.355 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)C ZINC000334370524 135375386 /nfs/dbraw/zinc/37/53/86/135375386.db2.gz WCHRYDKFHVQRNV-GHMZBOCLSA-N 1 2 233.315 1.242 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)[C@@H]1C ZINC000334373418 135376676 /nfs/dbraw/zinc/37/66/76/135376676.db2.gz ZYGAIDHTBOFZLC-RKDXNWHRSA-N 1 2 221.304 1.554 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000334380077 135380288 /nfs/dbraw/zinc/38/02/88/135380288.db2.gz IGCDZBZHKFZBLA-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000334386680 135382833 /nfs/dbraw/zinc/38/28/33/135382833.db2.gz OASALHRLZBKKFD-GHMZBOCLSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@H]1CCN(C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000334388780 135384635 /nfs/dbraw/zinc/38/46/35/135384635.db2.gz RCDIURSLBOAVCD-JTQLQIEISA-N 1 2 234.303 1.161 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(C)o1 ZINC000083978094 135462860 /nfs/dbraw/zinc/46/28/60/135462860.db2.gz UIOVVKMPCQNKPC-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccccc1F ZINC000088588727 135524632 /nfs/dbraw/zinc/52/46/32/135524632.db2.gz UIBCLVIHWONSSH-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCc1noc(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000092096074 135571105 /nfs/dbraw/zinc/57/11/05/135571105.db2.gz POMKINVXLVYKEK-UHFFFAOYSA-N 1 2 249.274 1.590 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000334604797 135776908 /nfs/dbraw/zinc/77/69/08/135776908.db2.gz GGDUKCMCGCGCDP-JTQLQIEISA-N 1 2 246.232 1.667 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000334604797 135776909 /nfs/dbraw/zinc/77/69/09/135776909.db2.gz GGDUKCMCGCGCDP-JTQLQIEISA-N 1 2 246.232 1.667 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000334897066 135837029 /nfs/dbraw/zinc/83/70/29/135837029.db2.gz JRHWBTYIWVVHEB-PSASIEDQSA-N 1 2 223.276 1.015 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@]2(C)C[C@H]2F)n1 ZINC000335250630 135983608 /nfs/dbraw/zinc/98/36/08/135983608.db2.gz QUVLIOKTARYQKJ-KCJUWKMLSA-N 1 2 236.250 1.393 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347710720 136002818 /nfs/dbraw/zinc/00/28/18/136002818.db2.gz XCIRBUBRNHVGSW-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347710720 136002819 /nfs/dbraw/zinc/00/28/19/136002819.db2.gz XCIRBUBRNHVGSW-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO CCn1nc(C)c(NCc2[nH+]ccn2C)c1C ZINC000347917476 136018390 /nfs/dbraw/zinc/01/83/90/136018390.db2.gz OQSUMUJXADPOKC-UHFFFAOYSA-N 1 2 233.319 1.865 20 0 BDADLO CCCC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCC1 ZINC000347933350 136018957 /nfs/dbraw/zinc/01/89/57/136018957.db2.gz XSOBNHNDPIDEEQ-JTQLQIEISA-N 1 2 238.335 1.959 20 0 BDADLO FC(F)[C@@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000348221646 136047318 /nfs/dbraw/zinc/04/73/18/136047318.db2.gz KDWAUXDGASMNNA-SFYZADRCSA-N 1 2 225.242 1.841 20 0 BDADLO C[C@]1(F)CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000335326687 136052279 /nfs/dbraw/zinc/05/22/79/136052279.db2.gz NGMGAOVRBGIEME-LBPRGKRZSA-N 1 2 228.311 1.479 20 0 BDADLO C[C@]1(F)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000335326687 136052280 /nfs/dbraw/zinc/05/22/80/136052280.db2.gz NGMGAOVRBGIEME-LBPRGKRZSA-N 1 2 228.311 1.479 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000335328500 136053083 /nfs/dbraw/zinc/05/30/83/136053083.db2.gz IERSFDZBRZVUPL-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000335328500 136053084 /nfs/dbraw/zinc/05/30/84/136053084.db2.gz IERSFDZBRZVUPL-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000335328500 136053085 /nfs/dbraw/zinc/05/30/85/136053085.db2.gz IERSFDZBRZVUPL-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000335328500 136053086 /nfs/dbraw/zinc/05/30/86/136053086.db2.gz IERSFDZBRZVUPL-CHWSQXEVSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335334841 136055623 /nfs/dbraw/zinc/05/56/23/136055623.db2.gz TWHYGAXAJTUOGC-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO Cc1cc[nH+]cc1CCCN1CC(=O)N(C)C1 ZINC000348261145 136057715 /nfs/dbraw/zinc/05/77/15/136057715.db2.gz KRVUQDXUDUAVGU-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO OCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000335350887 136068909 /nfs/dbraw/zinc/06/89/09/136068909.db2.gz NFTFOUDYVZLNFV-UHFFFAOYSA-N 1 2 211.236 1.012 20 0 BDADLO OCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000335350887 136068910 /nfs/dbraw/zinc/06/89/10/136068910.db2.gz NFTFOUDYVZLNFV-UHFFFAOYSA-N 1 2 211.236 1.012 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccon1 ZINC000348383064 136074231 /nfs/dbraw/zinc/07/42/31/136074231.db2.gz INRKUMMEUABPAW-UHFFFAOYSA-N 1 2 233.227 1.008 20 0 BDADLO CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)C1CCC1 ZINC000348480876 136080020 /nfs/dbraw/zinc/08/00/20/136080020.db2.gz GVLRGPGCAOLLBI-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C(=O)[C@H](C)[NH+]1CCOCC1)C1CCC1 ZINC000348481144 136080162 /nfs/dbraw/zinc/08/01/62/136080162.db2.gz GVLRGPGCAOLLBI-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCCSCC1 ZINC000348483642 136080440 /nfs/dbraw/zinc/08/04/40/136080440.db2.gz YXIUTKAFZUUAMY-UHFFFAOYSA-N 1 2 240.376 1.627 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCCSCC1 ZINC000348483642 136080441 /nfs/dbraw/zinc/08/04/41/136080441.db2.gz YXIUTKAFZUUAMY-UHFFFAOYSA-N 1 2 240.376 1.627 20 0 BDADLO Cc1cccc(CC[N@@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000335367685 136082091 /nfs/dbraw/zinc/08/20/91/136082091.db2.gz WQJIFPODTRFMID-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cccc(CC[N@H+]2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000335367685 136082092 /nfs/dbraw/zinc/08/20/92/136082092.db2.gz WQJIFPODTRFMID-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000335383885 136088207 /nfs/dbraw/zinc/08/82/07/136088207.db2.gz FYABVWWJENBWAR-MNOVXSKESA-N 1 2 249.314 1.501 20 0 BDADLO CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000335550464 136097812 /nfs/dbraw/zinc/09/78/12/136097812.db2.gz ZLMGVMFOHBXVOA-JTQLQIEISA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(C2CC2)no1 ZINC000335555724 136099652 /nfs/dbraw/zinc/09/96/52/136099652.db2.gz GWNPQDJJMOBWDN-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(C2CC2)no1 ZINC000335555724 136099653 /nfs/dbraw/zinc/09/96/53/136099653.db2.gz GWNPQDJJMOBWDN-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC1(C)C ZINC000335559921 136100828 /nfs/dbraw/zinc/10/08/28/136100828.db2.gz SAHKIIBZWJURLW-ZYHUDNBSSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592968 136103957 /nfs/dbraw/zinc/10/39/57/136103957.db2.gz YBFMVDAFERRRQO-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592968 136103958 /nfs/dbraw/zinc/10/39/58/136103958.db2.gz YBFMVDAFERRRQO-WDEREUQCSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccccn2)CCN1C ZINC000335571481 136109690 /nfs/dbraw/zinc/10/96/90/136109690.db2.gz FIPSFVYSLZKRQH-NEPJUHHUSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccn2)CCN1C ZINC000335571481 136109691 /nfs/dbraw/zinc/10/96/91/136109691.db2.gz FIPSFVYSLZKRQH-NEPJUHHUSA-N 1 2 219.332 1.606 20 0 BDADLO CCc1nnc(C[N@H+](C)CC(C)(C)O)s1 ZINC000680052964 487528689 /nfs/dbraw/zinc/52/86/89/487528689.db2.gz FXIFRUXJZRJCSV-UHFFFAOYSA-N 1 2 229.349 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC(C)(C)O)s1 ZINC000680052964 487528693 /nfs/dbraw/zinc/52/86/93/487528693.db2.gz FXIFRUXJZRJCSV-UHFFFAOYSA-N 1 2 229.349 1.303 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3nc(C)c[nH]3)C2)c1 ZINC000628287613 397839372 /nfs/dbraw/zinc/83/93/72/397839372.db2.gz FPVOSCGUOWBBJH-LBPRGKRZSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nc(C)c[nH]3)C2)c1 ZINC000628287613 397839378 /nfs/dbraw/zinc/83/93/78/397839378.db2.gz FPVOSCGUOWBBJH-LBPRGKRZSA-N 1 2 245.330 1.670 20 0 BDADLO CC[N@H+](Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000177008585 397839534 /nfs/dbraw/zinc/83/95/34/397839534.db2.gz DVHHBSAVSVKMRU-JTQLQIEISA-N 1 2 243.328 1.289 20 0 BDADLO CC[N@@H+](Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000177008585 397839538 /nfs/dbraw/zinc/83/95/38/397839538.db2.gz DVHHBSAVSVKMRU-JTQLQIEISA-N 1 2 243.328 1.289 20 0 BDADLO Cc1nc(C[NH+]2CCC(OC(C)C)CC2)no1 ZINC000531165075 397822228 /nfs/dbraw/zinc/82/22/28/397822228.db2.gz SBZLNHHTBKAIAD-UHFFFAOYSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H](F)C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000440529561 397931055 /nfs/dbraw/zinc/93/10/55/397931055.db2.gz WCHKIUHRQLQQJA-BBBLOLIVSA-N 1 2 221.341 1.576 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000336354569 397936605 /nfs/dbraw/zinc/93/66/05/397936605.db2.gz TXCJSUYYJXTRMP-BDAKNGLRSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000336354569 397936615 /nfs/dbraw/zinc/93/66/15/397936615.db2.gz TXCJSUYYJXTRMP-BDAKNGLRSA-N 1 2 205.248 1.610 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCSC1 ZINC000267244147 397943210 /nfs/dbraw/zinc/94/32/10/397943210.db2.gz KXZFTAXBKKAXDX-SNVBAGLBSA-N 1 2 239.344 1.285 20 0 BDADLO C[C@@H](CNC(=O)C1(C)CCC1)Cn1cc[nH+]c1 ZINC000267443759 397947882 /nfs/dbraw/zinc/94/78/82/397947882.db2.gz ZFHJVODLUZGQLA-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CCCc1nsc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000382447847 397949562 /nfs/dbraw/zinc/94/95/62/397949562.db2.gz KPGRDJZHGSMHMM-IUCAKERBSA-N 1 2 240.376 1.594 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccncc1F ZINC000449022315 397951009 /nfs/dbraw/zinc/95/10/09/397951009.db2.gz XQRQAAVEWLYBMU-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccncc1F ZINC000449022315 397951013 /nfs/dbraw/zinc/95/10/13/397951013.db2.gz XQRQAAVEWLYBMU-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)C[C@H](O)C2)[nH+]1 ZINC000649563811 397952800 /nfs/dbraw/zinc/95/28/00/397952800.db2.gz ISZSPCKLDKQYJX-WPRPVWTQSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000271433008 397967727 /nfs/dbraw/zinc/96/77/27/397967727.db2.gz OWAANGXQDCHJCU-APPZFPTMSA-N 1 2 223.276 1.015 20 0 BDADLO c1cn(CCc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000359749198 397957096 /nfs/dbraw/zinc/95/70/96/397957096.db2.gz UMCAFZZWRGTNJV-UHFFFAOYSA-N 1 2 230.267 1.897 20 0 BDADLO Oc1ccc(C[NH2+]Cc2cocn2)cc1F ZINC000192316683 397893562 /nfs/dbraw/zinc/89/35/62/397893562.db2.gz MOUPOFALZFOKBZ-UHFFFAOYSA-N 1 2 222.219 1.809 20 0 BDADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC ZINC000192312273 397893603 /nfs/dbraw/zinc/89/36/03/397893603.db2.gz BLMAUPPGUIAPMQ-UHFFFAOYSA-N 1 2 238.335 1.497 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)OCC1CC1)CC2 ZINC000364813032 397914679 /nfs/dbraw/zinc/91/46/79/397914679.db2.gz SABJTHZEXOZFCY-UHFFFAOYSA-N 1 2 235.287 1.554 20 0 BDADLO CCONC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000264068648 397914956 /nfs/dbraw/zinc/91/49/56/397914956.db2.gz FXQRBSVSDPHUPE-UHFFFAOYSA-N 1 2 248.286 1.393 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000271132127 397963516 /nfs/dbraw/zinc/96/35/16/397963516.db2.gz QJQBVNQJOAHEAF-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000271132127 397963518 /nfs/dbraw/zinc/96/35/18/397963518.db2.gz QJQBVNQJOAHEAF-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1=COCCC1 ZINC000264090068 397915703 /nfs/dbraw/zinc/91/57/03/397915703.db2.gz ANVZXNAIBMGBAR-SNVBAGLBSA-N 1 2 235.287 1.082 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1ccsc1 ZINC000264305825 397919588 /nfs/dbraw/zinc/91/95/88/397919588.db2.gz MMJAPJSWWRMEGV-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO Cc1nnsc1C[N@@H+]1CC[C@@H](F)C1 ZINC000649621595 398003507 /nfs/dbraw/zinc/00/35/07/398003507.db2.gz HEURUNRJBHFACA-SSDOTTSWSA-N 1 2 201.270 1.390 20 0 BDADLO Cc1nnsc1C[N@H+]1CC[C@@H](F)C1 ZINC000649621595 398003509 /nfs/dbraw/zinc/00/35/09/398003509.db2.gz HEURUNRJBHFACA-SSDOTTSWSA-N 1 2 201.270 1.390 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000232030049 398003547 /nfs/dbraw/zinc/00/35/47/398003547.db2.gz ODOHBRMPGDDHFG-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000232030049 398003549 /nfs/dbraw/zinc/00/35/49/398003549.db2.gz ODOHBRMPGDDHFG-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCc1cc[nH+]cc1NCc1cnnn1C ZINC000650242879 398005303 /nfs/dbraw/zinc/00/53/03/398005303.db2.gz ALGRYVKMVHULFU-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO c1c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nn2c1CCCC2 ZINC000649627606 398008797 /nfs/dbraw/zinc/00/87/97/398008797.db2.gz OETKOIBSGNLQTK-STQMWFEESA-N 1 2 249.383 1.909 20 0 BDADLO c1c(C[N@H+]2C[C@@H]3C[C@H]2CS3)nn2c1CCCC2 ZINC000649627606 398008799 /nfs/dbraw/zinc/00/87/99/398008799.db2.gz OETKOIBSGNLQTK-STQMWFEESA-N 1 2 249.383 1.909 20 0 BDADLO C[C@@H]1C[C@@H](CNc2cc(CO)cc[nH+]2)[C@H](C)O1 ZINC000641634385 398021299 /nfs/dbraw/zinc/02/12/99/398021299.db2.gz MPPXMXQSCAMLSN-SCVCMEIPSA-N 1 2 236.315 1.799 20 0 BDADLO C[C@@H]1C[C@@H](CNc2cc(CO)cc[nH+]2)[C@@H](C)O1 ZINC000641634383 398021435 /nfs/dbraw/zinc/02/14/35/398021435.db2.gz MPPXMXQSCAMLSN-FOGDFJRCSA-N 1 2 236.315 1.799 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000556824502 398048665 /nfs/dbraw/zinc/04/86/65/398048665.db2.gz CSIKFHRJFGYYLM-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000556824502 398048673 /nfs/dbraw/zinc/04/86/73/398048673.db2.gz CSIKFHRJFGYYLM-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC=CCC1 ZINC000277749360 398033152 /nfs/dbraw/zinc/03/31/52/398033152.db2.gz RKXTVFPRMUAGRC-SNVBAGLBSA-N 1 2 219.288 1.567 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC=CCC1 ZINC000277749360 398033153 /nfs/dbraw/zinc/03/31/53/398033153.db2.gz RKXTVFPRMUAGRC-SNVBAGLBSA-N 1 2 219.288 1.567 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000649692973 398041507 /nfs/dbraw/zinc/04/15/07/398041507.db2.gz LXFMXXJXTJROJY-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000649692973 398041509 /nfs/dbraw/zinc/04/15/09/398041509.db2.gz LXFMXXJXTJROJY-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1snnc1C)CC2 ZINC000649581980 397969296 /nfs/dbraw/zinc/96/92/96/397969296.db2.gz UKBBOROEURECNK-UHFFFAOYSA-N 1 2 249.343 1.367 20 0 BDADLO C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1cn[nH]c1 ZINC000649585487 397973524 /nfs/dbraw/zinc/97/35/24/397973524.db2.gz XPHMZQXXFJLMOA-SNVBAGLBSA-N 1 2 245.330 1.793 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000649703761 398050730 /nfs/dbraw/zinc/05/07/30/398050730.db2.gz LMFHATCAGCWPTR-NSHDSACASA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000649703761 398050736 /nfs/dbraw/zinc/05/07/36/398050736.db2.gz LMFHATCAGCWPTR-NSHDSACASA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccn2C)[C@@H](CC)CO1 ZINC000649717395 398064043 /nfs/dbraw/zinc/06/40/43/398064043.db2.gz DQKGYUKXXSVKRZ-RYUDHWBXSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccn2C)[C@@H](CC)CO1 ZINC000649717395 398064044 /nfs/dbraw/zinc/06/40/44/398064044.db2.gz DQKGYUKXXSVKRZ-RYUDHWBXSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2C)[C@@H](CC)CO1 ZINC000649717395 398064048 /nfs/dbraw/zinc/06/40/48/398064048.db2.gz DQKGYUKXXSVKRZ-RYUDHWBXSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC(C)C)[C@H](C)CO1 ZINC000649730388 398067954 /nfs/dbraw/zinc/06/79/54/398067954.db2.gz QVSHFXNUMCUBPC-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC(C)C)[C@H](C)CO1 ZINC000649730388 398067955 /nfs/dbraw/zinc/06/79/55/398067955.db2.gz QVSHFXNUMCUBPC-NEPJUHHUSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C)CO1 ZINC000649732401 398072758 /nfs/dbraw/zinc/07/27/58/398072758.db2.gz WYZOVRPEDREPQN-GHMZBOCLSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2C)[C@@H](C)CO1 ZINC000649733726 398074489 /nfs/dbraw/zinc/07/44/89/398074489.db2.gz NGVKXKRCFFTXJE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2C)[C@@H](C)CO1 ZINC000649733726 398074492 /nfs/dbraw/zinc/07/44/92/398074492.db2.gz NGVKXKRCFFTXJE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2C)[C@H](C)CO1 ZINC000649736236 398077814 /nfs/dbraw/zinc/07/78/14/398077814.db2.gz YCGYBZIBPFCWPE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2C)[C@H](C)CO1 ZINC000649736236 398077816 /nfs/dbraw/zinc/07/78/16/398077816.db2.gz YCGYBZIBPFCWPE-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc[nH]n2)[C@H](C)CO1 ZINC000649736733 398078550 /nfs/dbraw/zinc/07/85/50/398078550.db2.gz IAEPCAVPUJCVAN-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)CO1 ZINC000649736733 398078552 /nfs/dbraw/zinc/07/85/52/398078552.db2.gz IAEPCAVPUJCVAN-KOLCDFICSA-N 1 2 209.293 1.409 20 0 BDADLO CC(C)n1nccc1C[N@H+](CC(N)=O)C(C)C ZINC000279590777 398050964 /nfs/dbraw/zinc/05/09/64/398050964.db2.gz HODOYQCJESDLLO-UHFFFAOYSA-N 1 2 238.335 1.160 20 0 BDADLO CC(C)n1nccc1C[N@@H+](CC(N)=O)C(C)C ZINC000279590777 398050969 /nfs/dbraw/zinc/05/09/69/398050969.db2.gz HODOYQCJESDLLO-UHFFFAOYSA-N 1 2 238.335 1.160 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649714658 398056758 /nfs/dbraw/zinc/05/67/58/398056758.db2.gz ISRFOMOHVKNXPN-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649714658 398056759 /nfs/dbraw/zinc/05/67/59/398056759.db2.gz ISRFOMOHVKNXPN-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000189578123 398058115 /nfs/dbraw/zinc/05/81/15/398058115.db2.gz KSABQQZSKUZJDD-WCQYABFASA-N 1 2 238.331 1.433 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000189578123 398058120 /nfs/dbraw/zinc/05/81/20/398058120.db2.gz KSABQQZSKUZJDD-WCQYABFASA-N 1 2 238.331 1.433 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nncn2C)o1 ZINC000051724563 398058649 /nfs/dbraw/zinc/05/86/49/398058649.db2.gz JLXHSUJFPDNIOB-UHFFFAOYSA-N 1 2 220.276 1.260 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159397182 398102445 /nfs/dbraw/zinc/10/24/45/398102445.db2.gz JOLZONCDMYMVNR-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159397182 398102448 /nfs/dbraw/zinc/10/24/48/398102448.db2.gz JOLZONCDMYMVNR-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H](CO)C1CC[NH+](Cc2csnn2)CC1 ZINC000649798779 398107548 /nfs/dbraw/zinc/10/75/48/398107548.db2.gz HUJDTQBTCOZMMQ-SECBINFHSA-N 1 2 241.360 1.379 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)CC(C)(C)C)CCO1 ZINC000523436372 398113717 /nfs/dbraw/zinc/11/37/17/398113717.db2.gz CBHBAQLLAMAJOF-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)CC(C)(C)C)CCO1 ZINC000523436372 398113722 /nfs/dbraw/zinc/11/37/22/398113722.db2.gz CBHBAQLLAMAJOF-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C2(CCC2)CO1 ZINC000649821566 398122453 /nfs/dbraw/zinc/12/24/53/398122453.db2.gz KZFDNSVQHRXNJT-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO CN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000547864512 398133601 /nfs/dbraw/zinc/13/36/01/398133601.db2.gz NKBNRHUPALLMOT-UHFFFAOYSA-N 1 2 243.310 1.621 20 0 BDADLO CC(C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294280907 167016729 /nfs/dbraw/zinc/01/67/29/167016729.db2.gz GNQJYWSBVJCTDC-VIFPVBQESA-N 1 2 224.308 1.337 20 0 BDADLO CC(C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294280907 167016730 /nfs/dbraw/zinc/01/67/30/167016730.db2.gz GNQJYWSBVJCTDC-VIFPVBQESA-N 1 2 224.308 1.337 20 0 BDADLO CC(C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287757 167065638 /nfs/dbraw/zinc/06/56/38/167065638.db2.gz VALHEYDGKJZZKJ-UHFFFAOYSA-N 1 2 217.272 1.401 20 0 BDADLO CC[N@H+](Cc1oc(C)nc1C)[C@H]1CCNC1=O ZINC000685581106 487558159 /nfs/dbraw/zinc/55/81/59/487558159.db2.gz GIKVZQNFJZQPNJ-JTQLQIEISA-N 1 2 237.303 1.002 20 0 BDADLO CC[N@@H+](Cc1oc(C)nc1C)[C@H]1CCNC1=O ZINC000685581106 487558164 /nfs/dbraw/zinc/55/81/64/487558164.db2.gz GIKVZQNFJZQPNJ-JTQLQIEISA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000685584876 487559452 /nfs/dbraw/zinc/55/94/52/487559452.db2.gz KNCRBKFEVBPUGW-SZEHBUNVSA-N 1 2 225.292 1.284 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)[C@@H]2CCC[C@H]2O)no1 ZINC000685584876 487559456 /nfs/dbraw/zinc/55/94/56/487559456.db2.gz KNCRBKFEVBPUGW-SZEHBUNVSA-N 1 2 225.292 1.284 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1CCCCO1 ZINC000680320974 487560955 /nfs/dbraw/zinc/56/09/55/487560955.db2.gz BOILXEJNNGGQPN-LBPRGKRZSA-N 1 2 249.314 1.077 20 0 BDADLO COC[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000674413598 487571615 /nfs/dbraw/zinc/57/16/15/487571615.db2.gz MVAOPQFITUDHHG-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1occc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000666315227 487574970 /nfs/dbraw/zinc/57/49/70/487574970.db2.gz PWLAXWXJLDYHFU-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO Cc1occc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000666315227 487574978 /nfs/dbraw/zinc/57/49/78/487574978.db2.gz PWLAXWXJLDYHFU-UHFFFAOYSA-N 1 2 217.272 1.869 20 0 BDADLO CC(C)OCCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356360681 167211339 /nfs/dbraw/zinc/21/13/39/167211339.db2.gz BACFTNRQAURKEO-UHFFFAOYSA-N 1 2 242.363 1.354 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1cn[nH]c1 ZINC000685837558 487583254 /nfs/dbraw/zinc/58/32/54/487583254.db2.gz QDGDUAJIRMRDPJ-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000685837558 487583258 /nfs/dbraw/zinc/58/32/58/487583258.db2.gz QDGDUAJIRMRDPJ-UHFFFAOYSA-N 1 2 205.265 1.073 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccn[nH]1)C1CC1 ZINC000553283280 322910163 /nfs/dbraw/zinc/91/01/63/322910163.db2.gz SGKVDVDOECBVCV-SNVBAGLBSA-N 1 2 245.286 1.024 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]2COC)no1 ZINC000674470398 487583860 /nfs/dbraw/zinc/58/38/60/487583860.db2.gz PHALJXYVBCFGMK-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]2COC)no1 ZINC000674470398 487583866 /nfs/dbraw/zinc/58/38/66/487583866.db2.gz PHALJXYVBCFGMK-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000674467767 487584578 /nfs/dbraw/zinc/58/45/78/487584578.db2.gz VQEYSAJKHFEYPS-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000674467767 487584584 /nfs/dbraw/zinc/58/45/84/487584584.db2.gz VQEYSAJKHFEYPS-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO CC(C)OC[C@@H](C)[NH2+]CC(F)(F)CO ZINC000308650188 167255648 /nfs/dbraw/zinc/25/56/48/167255648.db2.gz JYFKTUBNYFIGGS-MRVPVSSYSA-N 1 2 211.252 1.017 20 0 BDADLO CCc1cc(C)nc(N2CCn3c[nH+]cc3C2)n1 ZINC000685925353 487598682 /nfs/dbraw/zinc/59/86/82/487598682.db2.gz MCAZQSWTFYCLQJ-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO OC[C@@H](CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000685931558 487599640 /nfs/dbraw/zinc/59/96/40/487599640.db2.gz PIDJFOOPUNODMR-LLVKDONJSA-N 1 2 233.315 1.784 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1CCCO1 ZINC000556756551 322921920 /nfs/dbraw/zinc/92/19/20/322921920.db2.gz LSIKKYFIMKAENI-QMMMGPOBSA-N 1 2 233.275 1.047 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668823959 487605879 /nfs/dbraw/zinc/60/58/79/487605879.db2.gz CXEVKTDTVCGZTJ-LLVKDONJSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668823959 487605881 /nfs/dbraw/zinc/60/58/81/487605881.db2.gz CXEVKTDTVCGZTJ-LLVKDONJSA-N 1 2 245.273 1.574 20 0 BDADLO CC(C)SCC[N@H+](C)Cc1nccn1C ZINC000283030898 167322774 /nfs/dbraw/zinc/32/27/74/167322774.db2.gz HPUKABBYHCPGNZ-UHFFFAOYSA-N 1 2 227.377 1.994 20 0 BDADLO CC(C)SCC[N@@H+](C)Cc1nccn1C ZINC000283030898 167322779 /nfs/dbraw/zinc/32/27/79/167322779.db2.gz HPUKABBYHCPGNZ-UHFFFAOYSA-N 1 2 227.377 1.994 20 0 BDADLO CC(C)SCCNC(=O)CCn1cc[nH+]c1 ZINC000287229548 167327492 /nfs/dbraw/zinc/32/74/92/167327492.db2.gz WIJKEKGXRBAWIZ-UHFFFAOYSA-N 1 2 241.360 1.531 20 0 BDADLO Cc1ccc(CN(C)Cc2cn(C)c[nH+]2)nc1 ZINC000660684654 409547940 /nfs/dbraw/zinc/54/79/40/409547940.db2.gz YKLAMRVJVWZRMV-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cn(C)cn2)nc1 ZINC000660684654 409547945 /nfs/dbraw/zinc/54/79/45/409547945.db2.gz YKLAMRVJVWZRMV-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cn(C)cn2)nc1 ZINC000660684654 409547952 /nfs/dbraw/zinc/54/79/52/409547952.db2.gz YKLAMRVJVWZRMV-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@H]1C[N@H+](CCOCc2ccccc2)CC(=O)N1 ZINC000660724766 409653069 /nfs/dbraw/zinc/65/30/69/409653069.db2.gz GYQCTNCVXDTSQY-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@H]1C[N@@H+](CCOCc2ccccc2)CC(=O)N1 ZINC000660724766 409653074 /nfs/dbraw/zinc/65/30/74/409653074.db2.gz GYQCTNCVXDTSQY-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO CCC(C)(C)CC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660727090 409665483 /nfs/dbraw/zinc/66/54/83/409665483.db2.gz CLYMQBZXFZIHIN-UHFFFAOYSA-N 1 2 247.404 1.932 20 0 BDADLO CC/C=C/CC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000660728379 409670085 /nfs/dbraw/zinc/67/00/85/409670085.db2.gz RASGHKITPCYRQL-AATRIKPKSA-N 1 2 231.361 1.462 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655294864 409831870 /nfs/dbraw/zinc/83/18/70/409831870.db2.gz OUYCVIPRGNGSQK-GRYCIOLGSA-N 1 2 247.342 1.606 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC000660833428 409816093 /nfs/dbraw/zinc/81/60/93/409816093.db2.gz OCQAYTWKMUXQQF-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC000660833428 409816104 /nfs/dbraw/zinc/81/61/04/409816104.db2.gz OCQAYTWKMUXQQF-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N1CC[C@@H](C)C1)CC2 ZINC000669673250 487611293 /nfs/dbraw/zinc/61/12/93/487611293.db2.gz NGQVAOQAHCWVHG-SNVBAGLBSA-N 1 2 248.330 1.469 20 0 BDADLO CSc1ccc[nH+]c1NCc1cn(C)nn1 ZINC000651971421 409942276 /nfs/dbraw/zinc/94/22/76/409942276.db2.gz FALMABDBFVPZBZ-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO CC(C)n1ncnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661091201 410162568 /nfs/dbraw/zinc/16/25/68/410162568.db2.gz WQXMSJFJXIQKBC-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO CC(C)n1ncnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661091201 410162572 /nfs/dbraw/zinc/16/25/72/410162572.db2.gz WQXMSJFJXIQKBC-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO COc1ncc(CN(C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC000661090885 410162974 /nfs/dbraw/zinc/16/29/74/410162974.db2.gz URVWREKPKJMTRY-UHFFFAOYSA-N 1 2 247.302 1.149 20 0 BDADLO Cc1nocc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661091452 410166044 /nfs/dbraw/zinc/16/60/44/410166044.db2.gz YRBJIIAFJAHIOW-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1nocc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661091452 410166047 /nfs/dbraw/zinc/16/60/47/410166047.db2.gz YRBJIIAFJAHIOW-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO C[C@@H](NC(=O)CCC(F)F)c1[nH]cc[nH+]1 ZINC000655403487 410208295 /nfs/dbraw/zinc/20/82/95/410208295.db2.gz MKPICUVPEZVLPC-ZCFIWIBFSA-N 1 2 217.219 1.632 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCC(=O)C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000655403454 410208916 /nfs/dbraw/zinc/20/89/16/410208916.db2.gz BULDTTVENAAHNU-NGZCFLSTSA-N 1 2 249.314 1.592 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661123811 410277997 /nfs/dbraw/zinc/27/79/97/410277997.db2.gz SKWFKGLPNWNQBK-IVZWLZJFSA-N 1 2 236.319 1.579 20 0 BDADLO CCC1(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000650677297 410303047 /nfs/dbraw/zinc/30/30/47/410303047.db2.gz XXGQHQPXUMFIQE-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](CO)C2CCC2)no1 ZINC000661154005 410306422 /nfs/dbraw/zinc/30/64/22/410306422.db2.gz KMIIVYFOJSQPNX-JTQLQIEISA-N 1 2 239.319 1.444 20 0 BDADLO CCCc1nc(C[NH2+][C@H](CO)C2CCC2)no1 ZINC000661156774 410310305 /nfs/dbraw/zinc/31/03/05/410310305.db2.gz UZDKBVMTBIFDRJ-SNVBAGLBSA-N 1 2 239.319 1.273 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)Nc1cnccn1 ZINC000663976287 410414995 /nfs/dbraw/zinc/41/49/95/410414995.db2.gz ZDMFUSSWSGCBOK-SECBINFHSA-N 1 2 217.276 1.866 20 0 BDADLO CC[N@@H+]1CCN(c2cc[nH+]c(C(=O)[O-])c2)[C@H](C)C1 ZINC000650769715 410419276 /nfs/dbraw/zinc/41/92/76/410419276.db2.gz CELQTOPVIRMYNA-SNVBAGLBSA-N 1 2 249.314 1.310 20 0 BDADLO CC[N@H+]1CCN(c2cc[nH+]c(C(=O)[O-])c2)[C@H](C)C1 ZINC000650769715 410419282 /nfs/dbraw/zinc/41/92/82/410419282.db2.gz CELQTOPVIRMYNA-SNVBAGLBSA-N 1 2 249.314 1.310 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000663947068 410394023 /nfs/dbraw/zinc/39/40/23/410394023.db2.gz NWHGFZQMFPNCEH-HTQZYQBOSA-N 1 2 221.308 1.091 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H](C)[C@H]2C)[nH+]1 ZINC000663947068 410394031 /nfs/dbraw/zinc/39/40/31/410394031.db2.gz NWHGFZQMFPNCEH-HTQZYQBOSA-N 1 2 221.308 1.091 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000663947071 410395553 /nfs/dbraw/zinc/39/55/53/410395553.db2.gz NWHGFZQMFPNCEH-JGVFFNPUSA-N 1 2 221.308 1.091 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)[C@H]2C)[nH+]1 ZINC000663947071 410395558 /nfs/dbraw/zinc/39/55/58/410395558.db2.gz NWHGFZQMFPNCEH-JGVFFNPUSA-N 1 2 221.308 1.091 20 0 BDADLO CN(C)C(=O)CNc1cc[nH+]c2ccncc12 ZINC000085653059 410466668 /nfs/dbraw/zinc/46/66/68/410466668.db2.gz UKQOWAOYKKTRAV-UHFFFAOYSA-N 1 2 230.271 1.130 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)[nH]c1C ZINC000650790161 410437616 /nfs/dbraw/zinc/43/76/16/410437616.db2.gz QVZWPEQMRXANQT-UHFFFAOYSA-N 1 2 246.314 1.778 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)C(=O)OC ZINC000300364632 410520733 /nfs/dbraw/zinc/52/07/33/410520733.db2.gz HIZNNKYYPKAHOZ-AEJSXWLSSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccn(C)n2)nc(C)n1 ZINC000660778452 487617213 /nfs/dbraw/zinc/61/72/13/487617213.db2.gz DPOLIZQJWNSGSD-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1CC12CC2)c1[nH+]ccn1C ZINC000661337596 410554767 /nfs/dbraw/zinc/55/47/67/410554767.db2.gz SQDLNIBWNDVQFE-DTWKUNHWSA-N 1 2 234.303 1.333 20 0 BDADLO CC(C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650982587 410671955 /nfs/dbraw/zinc/67/19/55/410671955.db2.gz ZEQPIKNOAZVVTE-UHFFFAOYSA-N 1 2 221.304 1.287 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC000661405115 410618081 /nfs/dbraw/zinc/61/80/81/410618081.db2.gz BQLPPCFXIUIBOS-OUAUKWLOSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC000661405115 410618088 /nfs/dbraw/zinc/61/80/88/410618088.db2.gz BQLPPCFXIUIBOS-OUAUKWLOSA-N 1 2 249.301 1.503 20 0 BDADLO CC(C)(C)OC(=O)c1cnc(-n2cc[nH+]c2)cn1 ZINC000341340011 166675755 /nfs/dbraw/zinc/67/57/55/166675755.db2.gz CYISAJRQZXSXRI-UHFFFAOYSA-N 1 2 246.270 1.618 20 0 BDADLO CC(C)C1(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000294035339 166748514 /nfs/dbraw/zinc/74/85/14/166748514.db2.gz XANZUCDGZCSFDR-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCC1CC1 ZINC000651055772 410773736 /nfs/dbraw/zinc/77/37/36/410773736.db2.gz NQQIFUDCCPUWTH-UHFFFAOYSA-N 1 2 233.315 1.288 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)NC2CC=CC2)c2[nH+]ccn21 ZINC000651138239 410830840 /nfs/dbraw/zinc/83/08/40/410830840.db2.gz BHSLGIDMNKESCH-KOLCDFICSA-N 1 2 246.314 1.907 20 0 BDADLO CC(C)OCCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356360681 167211336 /nfs/dbraw/zinc/21/13/36/167211336.db2.gz BACFTNRQAURKEO-UHFFFAOYSA-N 1 2 242.363 1.354 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@H]1C1CCCC1 ZINC000651310725 410915792 /nfs/dbraw/zinc/91/57/92/410915792.db2.gz VGUSHLFIUVNPJE-QWRGUYRKSA-N 1 2 233.315 1.852 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000177895152 167227885 /nfs/dbraw/zinc/22/78/85/167227885.db2.gz IHBQSXZCAIFSOE-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000177895152 167227888 /nfs/dbraw/zinc/22/78/88/167227888.db2.gz IHBQSXZCAIFSOE-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO CC(C)OCC[N@H+](C)Cc1nccn1C ZINC000161990078 167229208 /nfs/dbraw/zinc/22/92/08/167229208.db2.gz BGJAELZDEDUQGA-UHFFFAOYSA-N 1 2 211.309 1.277 20 0 BDADLO CC(C)OCC[N@@H+](C)Cc1nccn1C ZINC000161990078 167229210 /nfs/dbraw/zinc/22/92/10/167229210.db2.gz BGJAELZDEDUQGA-UHFFFAOYSA-N 1 2 211.309 1.277 20 0 BDADLO CC(C)[C@@H](C)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302877903 167362695 /nfs/dbraw/zinc/36/26/95/167362695.db2.gz GTMHNFWUUKUGIC-QMMMGPOBSA-N 1 2 248.334 1.650 20 0 BDADLO O[C@H](C[NH2+][C@H]1CCCC1(F)F)C(F)(F)F ZINC000398004067 410938798 /nfs/dbraw/zinc/93/87/98/410938798.db2.gz PKWIXEJBDDWRQJ-NTSWFWBYSA-N 1 2 233.180 1.687 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330941260 167371658 /nfs/dbraw/zinc/37/16/58/167371658.db2.gz CUPKGOWFPOSQRK-SECBINFHSA-N 1 2 223.320 1.848 20 0 BDADLO O=C([O-])c1cc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000042491149 411012850 /nfs/dbraw/zinc/01/28/50/411012850.db2.gz NIKYQAWKKYKYTN-UHFFFAOYSA-N 1 2 247.298 1.064 20 0 BDADLO C[C@H](CCO)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000651471000 411051176 /nfs/dbraw/zinc/05/11/76/411051176.db2.gz HARYYJKPNQKAJC-SECBINFHSA-N 1 2 219.288 1.770 20 0 BDADLO C[C@@H](CCO)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000651472332 411052553 /nfs/dbraw/zinc/05/25/53/411052553.db2.gz VKZJXBURHQCHBP-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](CCO)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000651472332 411052560 /nfs/dbraw/zinc/05/25/60/411052560.db2.gz VKZJXBURHQCHBP-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](CCO)N(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000651471255 411052988 /nfs/dbraw/zinc/05/29/88/411052988.db2.gz OHOWGRMNVJKYPL-JTQLQIEISA-N 1 2 237.347 1.981 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000651472509 411053085 /nfs/dbraw/zinc/05/30/85/411053085.db2.gz XPADWRTUGIYXCL-XXILOJSOSA-N 1 2 239.319 1.173 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)C[C@@H]2COCCO2)o1 ZINC000661612689 411055143 /nfs/dbraw/zinc/05/51/43/411055143.db2.gz TZHAFIZIUAOEOX-GHMZBOCLSA-N 1 2 240.303 1.391 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H]2COCCO2)o1 ZINC000661612689 411055150 /nfs/dbraw/zinc/05/51/50/411055150.db2.gz TZHAFIZIUAOEOX-GHMZBOCLSA-N 1 2 240.303 1.391 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000644794021 411067365 /nfs/dbraw/zinc/06/73/65/411067365.db2.gz HMJIBCJKVZUTDA-NXEZZACHSA-N 1 2 231.299 1.114 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)no1 ZINC000399476018 411044392 /nfs/dbraw/zinc/04/43/92/411044392.db2.gz OBYNMQLHZFDGBM-ONGXEEELSA-N 1 2 240.303 1.166 20 0 BDADLO COCc1cc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)no1 ZINC000399476018 411044393 /nfs/dbraw/zinc/04/43/93/411044393.db2.gz OBYNMQLHZFDGBM-ONGXEEELSA-N 1 2 240.303 1.166 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651596376 411127875 /nfs/dbraw/zinc/12/78/75/411127875.db2.gz HIAFWAVFPZWBRI-WDEREUQCSA-N 1 2 246.310 1.974 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000665643060 411143431 /nfs/dbraw/zinc/14/34/31/411143431.db2.gz GYRXTGLFFZREFU-ZJUUUORDSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000045752124 411148771 /nfs/dbraw/zinc/14/87/71/411148771.db2.gz HQFAZEMCYQUYOL-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000045752124 411148772 /nfs/dbraw/zinc/14/87/72/411148772.db2.gz HQFAZEMCYQUYOL-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CC(C)=CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651875802 411148805 /nfs/dbraw/zinc/14/88/05/411148805.db2.gz GKEPMQHLMNMDIN-UHFFFAOYSA-N 1 2 247.342 1.844 20 0 BDADLO CC(C)c1nc(NCC2=CCCOC2)cc[nH+]1 ZINC000340934379 167686687 /nfs/dbraw/zinc/68/66/87/167686687.db2.gz MRNVPRIEVRMTRH-UHFFFAOYSA-N 1 2 233.315 1.781 20 0 BDADLO C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000656093157 411174234 /nfs/dbraw/zinc/17/42/34/411174234.db2.gz HJQSEMRSKCTKAP-AOOOYVTPSA-N 1 2 249.314 1.532 20 0 BDADLO CCOCC[NH+]1CCN(C(C)(C)COC)CC1 ZINC000425507996 411178446 /nfs/dbraw/zinc/17/84/46/411178446.db2.gz RERQRNMKJQBGDI-UHFFFAOYSA-N 1 2 244.379 1.066 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC(OC)CC1 ZINC000656107076 411180037 /nfs/dbraw/zinc/18/00/37/411180037.db2.gz UYAVJGDKILAJDY-UHFFFAOYSA-N 1 2 237.303 1.409 20 0 BDADLO c1nnn2c1C[N@H+]([C@@H]1CCc3ccccc31)CC2 ZINC000653793532 411180328 /nfs/dbraw/zinc/18/03/28/411180328.db2.gz CHGGVYUNKILGAD-CQSZACIVSA-N 1 2 240.310 1.781 20 0 BDADLO c1nnn2c1C[N@@H+]([C@@H]1CCc3ccccc31)CC2 ZINC000653793532 411180331 /nfs/dbraw/zinc/18/03/31/411180331.db2.gz CHGGVYUNKILGAD-CQSZACIVSA-N 1 2 240.310 1.781 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cc(C)no1 ZINC000656112469 411181980 /nfs/dbraw/zinc/18/19/80/411181980.db2.gz OCAVSFCVKUFJOX-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@@H](O)C(C)C ZINC000656130827 411183888 /nfs/dbraw/zinc/18/38/88/411183888.db2.gz YRJOYBQGPDYKEP-LLVKDONJSA-N 1 2 223.320 1.912 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@@H](C)[C@H](C)C1 ZINC000656132915 411184877 /nfs/dbraw/zinc/18/48/77/411184877.db2.gz WOBIBJSLJBDRAE-RKDXNWHRSA-N 1 2 221.304 1.886 20 0 BDADLO CC/C=C/CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000656136845 411185319 /nfs/dbraw/zinc/18/53/19/411185319.db2.gz DITOYAKXTPVYOA-SNAWJCMRSA-N 1 2 248.330 1.683 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC(C)(O)CC1 ZINC000656146384 411186017 /nfs/dbraw/zinc/18/60/17/411186017.db2.gz GMCGNMGPBKCSAH-UHFFFAOYSA-N 1 2 237.303 1.145 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cn(C)nn2)cn1 ZINC000652283084 411186744 /nfs/dbraw/zinc/18/67/44/411186744.db2.gz STSOCADWWIVRDQ-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C)[C@@H](F)C1 ZINC000656152714 411186944 /nfs/dbraw/zinc/18/69/44/411186944.db2.gz DFJXHOLIOFXCDA-YUMQZZPRSA-N 1 2 240.282 1.252 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C)[C@@H](F)C1 ZINC000656152714 411186946 /nfs/dbraw/zinc/18/69/46/411186946.db2.gz DFJXHOLIOFXCDA-YUMQZZPRSA-N 1 2 240.282 1.252 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cc(C)ncn1 ZINC000656150686 411187407 /nfs/dbraw/zinc/18/74/07/411187407.db2.gz NCYITJOLPMPILR-UHFFFAOYSA-N 1 2 245.286 1.504 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@@H](O)C1(C)C ZINC000656165199 411189463 /nfs/dbraw/zinc/18/94/63/411189463.db2.gz ZZTAQFFPSPEEID-RKDXNWHRSA-N 1 2 237.303 1.365 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H](O)[C@@H](C)C1 ZINC000656164111 411189879 /nfs/dbraw/zinc/18/98/79/411189879.db2.gz CQSRGRVJPBEKMH-ONGXEEELSA-N 1 2 221.304 1.301 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H]2C[C@H]21 ZINC000656187912 411196656 /nfs/dbraw/zinc/19/66/56/411196656.db2.gz MPQWPNJMXAXWFV-JGVFFNPUSA-N 1 2 220.276 1.056 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H]2C[C@H]21 ZINC000656187912 411196658 /nfs/dbraw/zinc/19/66/58/411196658.db2.gz MPQWPNJMXAXWFV-JGVFFNPUSA-N 1 2 220.276 1.056 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CC[C@H](C)O1 ZINC000656199070 411201760 /nfs/dbraw/zinc/20/17/60/411201760.db2.gz ILOFHRWIDWAFDS-WPRPVWTQSA-N 1 2 237.303 1.773 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C2CCC2)C1 ZINC000656201547 411206027 /nfs/dbraw/zinc/20/60/27/411206027.db2.gz KJQMJSTVPYCYEP-JTQLQIEISA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C2CCC2)C1 ZINC000656201547 411206028 /nfs/dbraw/zinc/20/60/28/411206028.db2.gz KJQMJSTVPYCYEP-JTQLQIEISA-N 1 2 248.330 1.694 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CO[C@H](C)C1 ZINC000656204435 411208682 /nfs/dbraw/zinc/20/86/82/411208682.db2.gz UVLGXNUJFVNTIH-VXNVDRBHSA-N 1 2 223.276 1.383 20 0 BDADLO Cc1nc(N(C)C)nc(NC2(C)CC=CC2)[nH+]1 ZINC000656208434 411209327 /nfs/dbraw/zinc/20/93/27/411209327.db2.gz QKTCBTARXQVPPQ-UHFFFAOYSA-N 1 2 233.319 1.767 20 0 BDADLO Cc1nc(NC2(C)CC=CC2)nc(N(C)C)[nH+]1 ZINC000656208434 411209330 /nfs/dbraw/zinc/20/93/30/411209330.db2.gz QKTCBTARXQVPPQ-UHFFFAOYSA-N 1 2 233.319 1.767 20 0 BDADLO CCc1nc(N(C[C@@H](C)O)C2CC2)cc(C)[nH+]1 ZINC000656231002 411215467 /nfs/dbraw/zinc/21/54/67/411215467.db2.gz ZTAFFPFHGZOIDL-SNVBAGLBSA-N 1 2 235.331 1.697 20 0 BDADLO CC(C)n1cc(C[N@@H+](C[C@H](C)O)C2CC2)nn1 ZINC000653901940 411216159 /nfs/dbraw/zinc/21/61/59/411216159.db2.gz GYUUCYSOXOGXCD-JTQLQIEISA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1cc(C[N@H+](C[C@H](C)O)C2CC2)nn1 ZINC000653901940 411216161 /nfs/dbraw/zinc/21/61/61/411216161.db2.gz GYUUCYSOXOGXCD-JTQLQIEISA-N 1 2 238.335 1.204 20 0 BDADLO FC1(F)CC12C[NH+](Cc1ccccn1)C2 ZINC000656266195 411221127 /nfs/dbraw/zinc/22/11/27/411221127.db2.gz TVCISFDAPJXRSZ-UHFFFAOYSA-N 1 2 210.227 1.923 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](Cc1cn[nH]c1)C2 ZINC000656275612 411224847 /nfs/dbraw/zinc/22/48/47/411224847.db2.gz PYMIPMUVAOLYMP-UHFFFAOYSA-N 1 2 229.283 1.934 20 0 BDADLO COc1ccc2c(c1)C[N@H+](Cc1cn[nH]c1)C2 ZINC000656275612 411224852 /nfs/dbraw/zinc/22/48/52/411224852.db2.gz PYMIPMUVAOLYMP-UHFFFAOYSA-N 1 2 229.283 1.934 20 0 BDADLO CC(C)(NC(=O)CC(F)(F)F)c1[nH]cc[nH+]1 ZINC000652410993 411233077 /nfs/dbraw/zinc/23/30/77/411233077.db2.gz QGVMOSFMRKTKKW-UHFFFAOYSA-N 1 2 235.209 1.713 20 0 BDADLO C[C@@H](CNc1cc[nH+]c(C(=O)[O-])c1)C[NH+](C)C ZINC000310385523 411234706 /nfs/dbraw/zinc/23/47/06/411234706.db2.gz HRDLOIROXOLRTJ-VIFPVBQESA-N 1 2 237.303 1.389 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649207983 411265012 /nfs/dbraw/zinc/26/50/12/411265012.db2.gz JDWFFFUCBQTXKJ-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(N)nc2)CCO1 ZINC000050813686 411266169 /nfs/dbraw/zinc/26/61/69/411266169.db2.gz ZRQGDKQUOJJQBU-NSHDSACASA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCO1 ZINC000050813686 411266171 /nfs/dbraw/zinc/26/61/71/411266171.db2.gz ZRQGDKQUOJJQBU-NSHDSACASA-N 1 2 221.304 1.275 20 0 BDADLO c1cn(Cc2cn(C3CCCC3)nn2)c[nH+]1 ZINC000656462665 411270913 /nfs/dbraw/zinc/27/09/13/411270913.db2.gz IPACGGAXGHVPBV-UHFFFAOYSA-N 1 2 217.276 1.638 20 0 BDADLO CC/C=C/CNC(=O)NCCn1cc[nH+]c1 ZINC000296554737 167851941 /nfs/dbraw/zinc/85/19/41/167851941.db2.gz UAMDPSPLPRHLAD-ONEGZZNKSA-N 1 2 222.292 1.149 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCCC[C@@H]2C)[nH]1 ZINC000658160874 411274459 /nfs/dbraw/zinc/27/44/59/411274459.db2.gz IFZRBMXIFWJWRG-UWVGGRQHSA-N 1 2 238.335 1.619 20 0 BDADLO CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658163106 411276267 /nfs/dbraw/zinc/27/62/67/411276267.db2.gz ZBSMICRIADFQDR-BDAKNGLRSA-N 1 2 226.324 1.475 20 0 BDADLO Cc1ccc(N[C@@H](C)Cn2cncn2)c[nH+]1 ZINC000653464455 411281702 /nfs/dbraw/zinc/28/17/02/411281702.db2.gz ZIHLNNHBGBEBPO-JTQLQIEISA-N 1 2 217.276 1.482 20 0 BDADLO CCn1cc(CN[C@H](C)c2[nH+]ccn2CC)nn1 ZINC000658176778 411282973 /nfs/dbraw/zinc/28/29/73/411282973.db2.gz PJFPXWXBAKQHLK-SNVBAGLBSA-N 1 2 248.334 1.365 20 0 BDADLO CCn1cc(CN[C@@H](C)c2[nH+]ccn2CC)nn1 ZINC000658176777 411283206 /nfs/dbraw/zinc/28/32/06/411283206.db2.gz PJFPXWXBAKQHLK-JTQLQIEISA-N 1 2 248.334 1.365 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000656494572 411284358 /nfs/dbraw/zinc/28/43/58/411284358.db2.gz NZMAZUROFAZDMB-ONGXEEELSA-N 1 2 226.299 1.478 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000656494572 411284360 /nfs/dbraw/zinc/28/43/60/411284360.db2.gz NZMAZUROFAZDMB-ONGXEEELSA-N 1 2 226.299 1.478 20 0 BDADLO CCn1ncnc1CNc1c[nH+]ccc1C ZINC000653468473 411288717 /nfs/dbraw/zinc/28/87/17/411288717.db2.gz WVQAEDIVKUMGAU-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CO[C@]1(CNc2c[nH+]cc(C)c2)CCOC1 ZINC000653470066 411291669 /nfs/dbraw/zinc/29/16/69/411291669.db2.gz SRHVZJWYFOKDRR-LBPRGKRZSA-N 1 2 222.288 1.607 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@@H+]1C ZINC000124202343 411306328 /nfs/dbraw/zinc/30/63/28/411306328.db2.gz JFGUZCHKIZTOEZ-GXSJLCMTSA-N 1 2 249.314 1.674 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]c(C(=O)[O-])c2)CC[N@H+]1C ZINC000124202343 411306330 /nfs/dbraw/zinc/30/63/30/411306330.db2.gz JFGUZCHKIZTOEZ-GXSJLCMTSA-N 1 2 249.314 1.674 20 0 BDADLO OCCC1C[NH+](Cc2cn3cccc(F)c3n2)C1 ZINC000656674862 411321393 /nfs/dbraw/zinc/32/13/93/411321393.db2.gz UEASBEJIYDAYKK-UHFFFAOYSA-N 1 2 249.289 1.288 20 0 BDADLO CN(Cc1cn2cccnc2n1)Cc1[nH]cc[nH+]1 ZINC000660143374 411257811 /nfs/dbraw/zinc/25/78/11/411257811.db2.gz ALFXXCUMDBMISS-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO C[C@@H](CCO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000652955413 411353722 /nfs/dbraw/zinc/35/37/22/411353722.db2.gz CPNCVDPZRHIDNK-QWRGUYRKSA-N 1 2 239.319 1.064 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCc2nccnc2C1 ZINC000662120439 411362736 /nfs/dbraw/zinc/36/27/36/411362736.db2.gz DOPLSCCRIJVPMT-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCc2nccnc2C1 ZINC000662120439 411362739 /nfs/dbraw/zinc/36/27/39/411362739.db2.gz DOPLSCCRIJVPMT-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO CCN1OC[C@H]([N@H+](C)Cc2cccc(C)c2)C1=O ZINC000659848689 411340459 /nfs/dbraw/zinc/34/04/59/411340459.db2.gz LCPLFMDHWFTZGA-ZDUSSCGKSA-N 1 2 248.326 1.589 20 0 BDADLO CCN1OC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1=O ZINC000659848689 411340462 /nfs/dbraw/zinc/34/04/62/411340462.db2.gz LCPLFMDHWFTZGA-ZDUSSCGKSA-N 1 2 248.326 1.589 20 0 BDADLO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367616094 168008653 /nfs/dbraw/zinc/00/86/53/168008653.db2.gz NJBHOHHSQRJZCL-MVWJERBFSA-N 1 2 235.331 1.536 20 0 BDADLO CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000366232631 168019509 /nfs/dbraw/zinc/01/95/09/168019509.db2.gz PAXAEXASWKLYGQ-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CC1(C[N@@H+]2CCn3ncnc3C2)CCC1 ZINC000336455546 168026457 /nfs/dbraw/zinc/02/64/57/168026457.db2.gz SCCUCRKUNDWYPR-UHFFFAOYSA-N 1 2 206.293 1.284 20 0 BDADLO CC1(C[N@H+]2CCn3ncnc3C2)CCC1 ZINC000336455546 168026459 /nfs/dbraw/zinc/02/64/59/168026459.db2.gz SCCUCRKUNDWYPR-UHFFFAOYSA-N 1 2 206.293 1.284 20 0 BDADLO CC1(CNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000357504963 168031541 /nfs/dbraw/zinc/03/15/41/168031541.db2.gz FSZPRYVAUVLRKJ-UHFFFAOYSA-N 1 2 243.310 1.793 20 0 BDADLO Cn1c[nH+]c(CN2CCOCC2(C)C)c1 ZINC000659856574 411347365 /nfs/dbraw/zinc/34/73/65/411347365.db2.gz BQXKECGDHIERPX-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOCC2(C)C)c1 ZINC000659856574 411347368 /nfs/dbraw/zinc/34/73/68/411347368.db2.gz BQXKECGDHIERPX-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1cnc(C[N@H+]2CCOCC2(C)C)c1 ZINC000659856574 411347370 /nfs/dbraw/zinc/34/73/70/411347370.db2.gz BQXKECGDHIERPX-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO O=C(NC1C[NH+](Cc2ccc(O)cc2)C1)C1CC1 ZINC000656751794 411349021 /nfs/dbraw/zinc/34/90/21/411349021.db2.gz ZOTLIFWXAKWKFR-UHFFFAOYSA-N 1 2 246.310 1.103 20 0 BDADLO CC1=C(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282673767 168080489 /nfs/dbraw/zinc/08/04/89/168080489.db2.gz CNOVBVYXCCZAMU-ONEGZZNKSA-N 1 2 231.299 1.992 20 0 BDADLO CC1=C(C)C[N@H+](Cc2ncnn2CCF)CC1 ZINC000281715981 168085847 /nfs/dbraw/zinc/08/58/47/168085847.db2.gz UZCUEHIJMXLQAF-UHFFFAOYSA-N 1 2 238.310 1.790 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2ncnn2CCF)CC1 ZINC000281715981 168085851 /nfs/dbraw/zinc/08/58/51/168085851.db2.gz UZCUEHIJMXLQAF-UHFFFAOYSA-N 1 2 238.310 1.790 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(C)=C(C)C2)[nH]1 ZINC000292964457 168085889 /nfs/dbraw/zinc/08/58/89/168085889.db2.gz WEZUNCVKMAJOJK-UHFFFAOYSA-N 1 2 206.293 1.655 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(C)=C(C)C2)[nH]1 ZINC000292964457 168085892 /nfs/dbraw/zinc/08/58/92/168085892.db2.gz WEZUNCVKMAJOJK-UHFFFAOYSA-N 1 2 206.293 1.655 20 0 BDADLO CCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654365426 411378796 /nfs/dbraw/zinc/37/87/96/411378796.db2.gz IVTKODMNQOBUPP-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO CCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654365426 411378800 /nfs/dbraw/zinc/37/88/00/411378800.db2.gz IVTKODMNQOBUPP-SNVBAGLBSA-N 1 2 223.320 1.895 20 0 BDADLO COCC1(O)C[NH+](Cc2cc(C)sc2C)C1 ZINC000656816386 411374700 /nfs/dbraw/zinc/37/47/00/411374700.db2.gz PBLZUNZJNPQBOI-UHFFFAOYSA-N 1 2 241.356 1.558 20 0 BDADLO CCC(=O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000364655908 168203086 /nfs/dbraw/zinc/20/30/86/168203086.db2.gz NACHPWMYUXRROL-JTQLQIEISA-N 1 2 223.276 1.576 20 0 BDADLO CCC(=O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000364655908 168203088 /nfs/dbraw/zinc/20/30/88/168203088.db2.gz NACHPWMYUXRROL-JTQLQIEISA-N 1 2 223.276 1.576 20 0 BDADLO CO[C@H](C(=O)Nc1ccc(N)[nH+]c1)C1CCC1 ZINC000659295700 411390183 /nfs/dbraw/zinc/39/01/83/411390183.db2.gz YNTMXKSBTUWABK-NSHDSACASA-N 1 2 235.287 1.417 20 0 BDADLO CCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000082254554 168221196 /nfs/dbraw/zinc/22/11/96/168221196.db2.gz XJVYZPALEJQMCA-GFCCVEGCSA-N 1 2 247.342 1.697 20 0 BDADLO CCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000071435391 168234275 /nfs/dbraw/zinc/23/42/75/168234275.db2.gz ACCFGSVKJYUKFM-UHFFFAOYSA-N 1 2 217.272 1.669 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cocn2)c[nH+]1 ZINC000654382466 411384046 /nfs/dbraw/zinc/38/40/46/411384046.db2.gz KIOHDNGLWVNBQS-UHFFFAOYSA-N 1 2 231.255 1.616 20 0 BDADLO CCC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000277370676 168279225 /nfs/dbraw/zinc/27/92/25/168279225.db2.gz PNUHARSTAVTNBY-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO Cc1nn(C)cc1-c1c[nH+]c(N)c(C)c1 ZINC000129757498 411387734 /nfs/dbraw/zinc/38/77/34/411387734.db2.gz YCARFIGJNJXDIQ-UHFFFAOYSA-N 1 2 202.261 1.681 20 0 BDADLO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc(C)n[nH]1 ZINC000274917758 168303209 /nfs/dbraw/zinc/30/32/09/168303209.db2.gz ZEGFUFYISQDERO-SSDOTTSWSA-N 1 2 239.323 1.218 20 0 BDADLO CC1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654854936 411456131 /nfs/dbraw/zinc/45/61/31/411456131.db2.gz ALRPVOOSWXRFPL-UHFFFAOYSA-N 1 2 210.321 1.245 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1nccn1C(C)C ZINC000657310035 411459380 /nfs/dbraw/zinc/45/93/80/411459380.db2.gz VTQCKIYVBVKPBC-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654881230 411459575 /nfs/dbraw/zinc/45/95/75/411459575.db2.gz GOLMTUPFYBZMCZ-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654881230 411459577 /nfs/dbraw/zinc/45/95/77/411459577.db2.gz GOLMTUPFYBZMCZ-QWRGUYRKSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1occc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654580539 411414762 /nfs/dbraw/zinc/41/47/62/411414762.db2.gz YCBJAKLTXRBQNB-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405109939 411416819 /nfs/dbraw/zinc/41/68/19/411416819.db2.gz MSNQXMXUXLRLDB-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405109939 411416823 /nfs/dbraw/zinc/41/68/23/411416823.db2.gz MSNQXMXUXLRLDB-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653561636 411422556 /nfs/dbraw/zinc/42/25/56/411422556.db2.gz MNLUUIFODWLFAK-VIFPVBQESA-N 1 2 223.324 1.412 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653561636 411422558 /nfs/dbraw/zinc/42/25/58/411422558.db2.gz MNLUUIFODWLFAK-VIFPVBQESA-N 1 2 223.324 1.412 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000268206208 411422885 /nfs/dbraw/zinc/42/28/85/411422885.db2.gz UTDRYFZBSQBJOY-GHMZBOCLSA-N 1 2 248.330 1.362 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@](C)(O)C1CC1 ZINC000270021554 411425956 /nfs/dbraw/zinc/42/59/56/411425956.db2.gz DPZRSRUCIWGKLD-CYBMUJFWSA-N 1 2 234.299 1.880 20 0 BDADLO C[N@H+](CCC1CC1)Cc1nnn(C(C)(C)C)n1 ZINC000653587593 411427214 /nfs/dbraw/zinc/42/72/14/411427214.db2.gz JQPRJEMTNSTBOK-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO C[N@@H+](CCC1CC1)Cc1nnn(C(C)(C)C)n1 ZINC000653587593 411427217 /nfs/dbraw/zinc/42/72/17/411427217.db2.gz JQPRJEMTNSTBOK-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO Cc1nonc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000271430516 411429981 /nfs/dbraw/zinc/42/99/81/411429981.db2.gz SVYBCVABDRPCOY-SNVBAGLBSA-N 1 2 232.287 1.966 20 0 BDADLO Cc1nonc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000271430516 411429985 /nfs/dbraw/zinc/42/99/85/411429985.db2.gz SVYBCVABDRPCOY-SNVBAGLBSA-N 1 2 232.287 1.966 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000653594372 411430540 /nfs/dbraw/zinc/43/05/40/411430540.db2.gz PDCVDRQHSZZLJA-LLVKDONJSA-N 1 2 249.362 1.660 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000653594372 411430542 /nfs/dbraw/zinc/43/05/42/411430542.db2.gz PDCVDRQHSZZLJA-LLVKDONJSA-N 1 2 249.362 1.660 20 0 BDADLO CCCn1cc(C(=O)NCc2[nH]c[nH+]c2C)cn1 ZINC000272748040 411434731 /nfs/dbraw/zinc/43/47/31/411434731.db2.gz DGIFLJOWQRKCQK-UHFFFAOYSA-N 1 2 247.302 1.255 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609324 411438281 /nfs/dbraw/zinc/43/82/81/411438281.db2.gz HXLLCXOICBSWAN-BBBLOLIVSA-N 1 2 238.310 1.800 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609324 411438283 /nfs/dbraw/zinc/43/82/83/411438283.db2.gz HXLLCXOICBSWAN-BBBLOLIVSA-N 1 2 238.310 1.800 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccno1 ZINC000275476183 411440623 /nfs/dbraw/zinc/44/06/23/411440623.db2.gz YUZYMLKMOQJIOC-GFCCVEGCSA-N 1 2 237.303 1.165 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccno1 ZINC000275476183 411440625 /nfs/dbraw/zinc/44/06/25/411440625.db2.gz YUZYMLKMOQJIOC-GFCCVEGCSA-N 1 2 237.303 1.165 20 0 BDADLO CC[C@@H](C)c1nnc([C@@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000277062608 411443382 /nfs/dbraw/zinc/44/33/82/411443382.db2.gz BXMJPBSQUNOUPF-RKDXNWHRSA-N 1 2 248.334 1.892 20 0 BDADLO CCn1cc(C(=O)Nc2ccc(N)[nH+]c2)c(C)n1 ZINC000637829073 411443499 /nfs/dbraw/zinc/44/34/99/411443499.db2.gz YHVBCQTUZCNJIG-UHFFFAOYSA-N 1 2 245.286 1.271 20 0 BDADLO COC(C)(C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654837276 411452694 /nfs/dbraw/zinc/45/26/94/411452694.db2.gz HJEDXSYUWGKROK-SECBINFHSA-N 1 2 239.319 1.130 20 0 BDADLO COC(C)(C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654837276 411452696 /nfs/dbraw/zinc/45/26/96/411452696.db2.gz HJEDXSYUWGKROK-SECBINFHSA-N 1 2 239.319 1.130 20 0 BDADLO CC[NH+]1CCC([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657292423 411453194 /nfs/dbraw/zinc/45/31/94/411453194.db2.gz KJQOSRBTNXHTMK-UHFFFAOYSA-N 1 2 248.374 1.403 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CCC1 ZINC000654960384 411467985 /nfs/dbraw/zinc/46/79/85/411467985.db2.gz IIAQAQIMRBIFNC-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CCC1 ZINC000654960384 411467987 /nfs/dbraw/zinc/46/79/87/411467987.db2.gz IIAQAQIMRBIFNC-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cnn(CCO)c1 ZINC000657343823 411469474 /nfs/dbraw/zinc/46/94/74/411469474.db2.gz AGIGOWHIVXPFML-UHFFFAOYSA-N 1 2 249.318 1.265 20 0 BDADLO C[C@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1F ZINC000654986605 411471629 /nfs/dbraw/zinc/47/16/29/411471629.db2.gz MQTCGMLSGSNIIK-WDEREUQCSA-N 1 2 242.338 1.535 20 0 BDADLO Cc1nc(C[N@H+](CCO)C2CC2)c(C)o1 ZINC000659840365 411471857 /nfs/dbraw/zinc/47/18/57/411471857.db2.gz CFBXZKIJVKFNFA-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO Cc1nc(C[N@@H+](CCO)C2CC2)c(C)o1 ZINC000659840365 411471859 /nfs/dbraw/zinc/47/18/59/411471859.db2.gz CFBXZKIJVKFNFA-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO Cc1c[nH]c(CNC(C)(C)c2noc(C)n2)[nH+]1 ZINC000657352367 411473023 /nfs/dbraw/zinc/47/30/23/411473023.db2.gz UCXFWZNRXKJSJK-UHFFFAOYSA-N 1 2 235.291 1.434 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1coc(C)n1 ZINC000659842047 411473174 /nfs/dbraw/zinc/47/31/74/411473174.db2.gz WQRBSWIJQPTDFE-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1coc(C)n1 ZINC000659842047 411473175 /nfs/dbraw/zinc/47/31/75/411473175.db2.gz WQRBSWIJQPTDFE-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000659844697 411474363 /nfs/dbraw/zinc/47/43/63/411474363.db2.gz FNUQHTAABSMERW-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000659844697 411474365 /nfs/dbraw/zinc/47/43/65/411474365.db2.gz FNUQHTAABSMERW-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cnn3c2CCC3)n1 ZINC000657491529 411533019 /nfs/dbraw/zinc/53/30/19/411533019.db2.gz VZMMTMSXGRYNMQ-UHFFFAOYSA-N 1 2 245.330 1.336 20 0 BDADLO COC[C@H](C[N@H+](C)Cc1cscn1)OC ZINC000659858350 411479877 /nfs/dbraw/zinc/47/98/77/411479877.db2.gz RPVIZTVUITVZSG-JTQLQIEISA-N 1 2 230.333 1.236 20 0 BDADLO COC[C@H](C[N@@H+](C)Cc1cscn1)OC ZINC000659858350 411479879 /nfs/dbraw/zinc/47/98/79/411479879.db2.gz RPVIZTVUITVZSG-JTQLQIEISA-N 1 2 230.333 1.236 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000307599903 411481067 /nfs/dbraw/zinc/48/10/67/411481067.db2.gz RPRNZMBXTWWBIF-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000307599903 411481070 /nfs/dbraw/zinc/48/10/70/411481070.db2.gz RPRNZMBXTWWBIF-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CCN(c1cc(C)[nH+]cn1)[C@H]1CCOC1 ZINC000359967962 169941482 /nfs/dbraw/zinc/94/14/82/169941482.db2.gz LYFSENRRVWPWHT-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cc3n(n2)CCC3)s1 ZINC000657377337 411486009 /nfs/dbraw/zinc/48/60/09/411486009.db2.gz SGLQOBJFBLXOCQ-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)s1 ZINC000657393347 411490408 /nfs/dbraw/zinc/49/04/08/411490408.db2.gz CZFOQLRWABBJIC-YUMQZZPRSA-N 1 2 241.385 1.790 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)s1 ZINC000657393347 411490409 /nfs/dbraw/zinc/49/04/09/411490409.db2.gz CZFOQLRWABBJIC-YUMQZZPRSA-N 1 2 241.385 1.790 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@@H](C)O1 ZINC000659916274 411496378 /nfs/dbraw/zinc/49/63/78/411496378.db2.gz BJDOHHFXYLFXDJ-NXEZZACHSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@@H](C)O1 ZINC000659916274 411496381 /nfs/dbraw/zinc/49/63/81/411496381.db2.gz BJDOHHFXYLFXDJ-NXEZZACHSA-N 1 2 240.303 1.683 20 0 BDADLO COc1ccncc1NCc1c[nH+]c2n1CCC2 ZINC000657412652 411499047 /nfs/dbraw/zinc/49/90/47/411499047.db2.gz IIWKBMHBUXEMSQ-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC[C@@H]1CC ZINC000659932175 411501771 /nfs/dbraw/zinc/50/17/71/411501771.db2.gz AYMAWANKWPGGHW-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC[C@@H]1CC ZINC000659932175 411501774 /nfs/dbraw/zinc/50/17/74/411501774.db2.gz AYMAWANKWPGGHW-NSHDSACASA-N 1 2 224.304 1.848 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cn(C)cn1 ZINC000659929829 411501823 /nfs/dbraw/zinc/50/18/23/411501823.db2.gz WJYZXVJUBQANPR-ZDUSSCGKSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cn(C)cn1 ZINC000659929829 411501826 /nfs/dbraw/zinc/50/18/26/411501826.db2.gz WJYZXVJUBQANPR-ZDUSSCGKSA-N 1 2 237.347 1.667 20 0 BDADLO c1coc([C@@H]2COCC[N@H+]2CCc2cn[nH]n2)c1 ZINC000659934251 411503697 /nfs/dbraw/zinc/50/36/97/411503697.db2.gz ADXQWRKBZOIBPM-NSHDSACASA-N 1 2 248.286 1.014 20 0 BDADLO c1coc([C@@H]2COCC[N@@H+]2CCc2cn[nH]n2)c1 ZINC000659934251 411503700 /nfs/dbraw/zinc/50/37/00/411503700.db2.gz ADXQWRKBZOIBPM-NSHDSACASA-N 1 2 248.286 1.014 20 0 BDADLO CN(Cc1ccon1)Cc1cn(C)c[nH+]1 ZINC000659947574 411507305 /nfs/dbraw/zinc/50/73/05/411507305.db2.gz OVHPELLBQXPRDW-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1nccs1 ZINC000659977374 411515852 /nfs/dbraw/zinc/51/58/52/411515852.db2.gz PBAYEYFUBDAQJZ-MRVPVSSYSA-N 1 2 248.298 1.999 20 0 BDADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1nccs1 ZINC000659977374 411515857 /nfs/dbraw/zinc/51/58/57/411515857.db2.gz PBAYEYFUBDAQJZ-MRVPVSSYSA-N 1 2 248.298 1.999 20 0 BDADLO C([NH2+]C1CCCC1)c1nnc([C@@H]2CCCO2)[nH]1 ZINC000655799267 411517541 /nfs/dbraw/zinc/51/75/41/411517541.db2.gz CCLXBFDTQDJEBK-JTQLQIEISA-N 1 2 236.319 1.688 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2cccc(C)n2)C1=O ZINC000660080570 411534920 /nfs/dbraw/zinc/53/49/20/411534920.db2.gz MIBFBGWJJVMICA-CYBMUJFWSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C)n2)C1=O ZINC000660080570 411534921 /nfs/dbraw/zinc/53/49/21/411534921.db2.gz MIBFBGWJJVMICA-CYBMUJFWSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1c[nH]c(CN[C@@H](C)C(F)(F)F)[nH+]1 ZINC000657466141 411519070 /nfs/dbraw/zinc/51/90/70/411519070.db2.gz BRHSYDZGADHGCL-LURJTMIESA-N 1 2 207.199 1.759 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnccn2)nc(C)n1 ZINC000659990668 411521583 /nfs/dbraw/zinc/52/15/83/411521583.db2.gz FPXQEUDAGHYPKX-UHFFFAOYSA-N 1 2 243.314 1.515 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnccn2)nc(C)n1 ZINC000659990668 411521585 /nfs/dbraw/zinc/52/15/85/411521585.db2.gz FPXQEUDAGHYPKX-UHFFFAOYSA-N 1 2 243.314 1.515 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2nc(C)c[nH]2)o1 ZINC000657473393 411523392 /nfs/dbraw/zinc/52/33/92/411523392.db2.gz JMPCJWZLNPULCU-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO CC[C@@H](C)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655818619 411525521 /nfs/dbraw/zinc/52/55/21/411525521.db2.gz MLGOYXRTFWWESO-NXEZZACHSA-N 1 2 238.335 1.792 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccc3c2OCO3)n1 ZINC000657324293 411464880 /nfs/dbraw/zinc/46/48/80/411464880.db2.gz XBHANXJHCPCPCA-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCC[C@H]1C ZINC000336233486 170000438 /nfs/dbraw/zinc/00/04/38/170000438.db2.gz QUQURTLUWSQJPQ-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCC[C@H]1C ZINC000336233486 170000441 /nfs/dbraw/zinc/00/04/41/170000441.db2.gz QUQURTLUWSQJPQ-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCC[C@@H]1C ZINC000336233485 170001651 /nfs/dbraw/zinc/00/16/51/170001651.db2.gz QUQURTLUWSQJPQ-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCCC[C@@H]1C ZINC000336233485 170001652 /nfs/dbraw/zinc/00/16/52/170001652.db2.gz QUQURTLUWSQJPQ-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC2(O)CCC2)[C@@H](C)C1 ZINC000309660311 170034541 /nfs/dbraw/zinc/03/45/41/170034541.db2.gz RCQZZDGIPOGYDN-RYUDHWBXSA-N 1 2 226.364 1.221 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCCSC)[C@@H](C)C1 ZINC000336656272 170035008 /nfs/dbraw/zinc/03/50/08/170035008.db2.gz OPULSGBLWCBGRK-QWRGUYRKSA-N 1 2 216.394 1.669 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000352303520 170055008 /nfs/dbraw/zinc/05/50/08/170055008.db2.gz SSCHVVMCZMQJAI-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000352303520 170055009 /nfs/dbraw/zinc/05/50/09/170055009.db2.gz SSCHVVMCZMQJAI-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CCNC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000127795754 170055695 /nfs/dbraw/zinc/05/56/95/170055695.db2.gz SEEIKWASIWRPRN-JTQLQIEISA-N 1 2 236.315 1.941 20 0 BDADLO CCNC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000127795754 170055697 /nfs/dbraw/zinc/05/56/97/170055697.db2.gz SEEIKWASIWRPRN-JTQLQIEISA-N 1 2 236.315 1.941 20 0 BDADLO CCNC(=O)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000299345663 170066027 /nfs/dbraw/zinc/06/60/27/170066027.db2.gz OZDFJOPOBXTIKL-MRVPVSSYSA-N 1 2 241.360 1.492 20 0 BDADLO CCNC(=O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090802936 170066580 /nfs/dbraw/zinc/06/65/80/170066580.db2.gz JZPLJHNESSZRQD-UHFFFAOYSA-N 1 2 247.220 1.648 20 0 BDADLO Cc1cnc([C@H](C)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000660140848 411543832 /nfs/dbraw/zinc/54/38/32/411543832.db2.gz AYYMUTKZDJIZAX-JTQLQIEISA-N 1 2 231.303 1.701 20 0 BDADLO CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336458452 170075239 /nfs/dbraw/zinc/07/52/39/170075239.db2.gz RWKDHUQABMISTH-NSHDSACASA-N 1 2 235.287 1.264 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1csc(CC)n1 ZINC000049591184 170087774 /nfs/dbraw/zinc/08/77/74/170087774.db2.gz QBSXOTYBGVBQFB-MRVPVSSYSA-N 1 2 241.360 1.320 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccco2)c2ncnn21 ZINC000657568501 411553377 /nfs/dbraw/zinc/55/33/77/411553377.db2.gz JVOLWMPVVSSZKJ-WPRPVWTQSA-N 1 2 218.260 1.667 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2cccn2C)c2ncnn21 ZINC000657567597 411553406 /nfs/dbraw/zinc/55/34/06/411553406.db2.gz CJYOKAKZAFOIMM-ONGXEEELSA-N 1 2 231.303 1.412 20 0 BDADLO CC1(C)C[C@@H]([N@@H+]2CCC(F)(F)C2)CO1 ZINC000660215671 411554278 /nfs/dbraw/zinc/55/42/78/411554278.db2.gz RALIRRJNYNIWDQ-MRVPVSSYSA-N 1 2 205.248 1.895 20 0 BDADLO CC1(C)C[C@@H]([N@H+]2CCC(F)(F)C2)CO1 ZINC000660215671 411554279 /nfs/dbraw/zinc/55/42/79/411554279.db2.gz RALIRRJNYNIWDQ-MRVPVSSYSA-N 1 2 205.248 1.895 20 0 BDADLO CC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000083746816 170147897 /nfs/dbraw/zinc/14/78/97/170147897.db2.gz YXPPCAYQCDDWCL-JTQLQIEISA-N 1 2 220.251 1.643 20 0 BDADLO CCCCNC(=O)CC[N@H+](C)Cc1ncc[nH]1 ZINC000660143903 411544652 /nfs/dbraw/zinc/54/46/52/411544652.db2.gz IGZWOBFVZQYDEW-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO CCCCNC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000660143903 411544654 /nfs/dbraw/zinc/54/46/54/411544654.db2.gz IGZWOBFVZQYDEW-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO Cc1nnc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000660142262 411544835 /nfs/dbraw/zinc/54/48/35/411544835.db2.gz SPNUTTXRWKOSOT-SSDOTTSWSA-N 1 2 220.280 1.029 20 0 BDADLO C[N@H+](CCc1cscn1)Cc1ncc[nH]1 ZINC000660142815 411544842 /nfs/dbraw/zinc/54/48/42/411544842.db2.gz LHJDBDURBMPZFS-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO C[N@@H+](CCc1cscn1)Cc1ncc[nH]1 ZINC000660142815 411544843 /nfs/dbraw/zinc/54/48/43/411544843.db2.gz LHJDBDURBMPZFS-UHFFFAOYSA-N 1 2 222.317 1.541 20 0 BDADLO Cc1cnc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000660143650 411545184 /nfs/dbraw/zinc/54/51/84/411545184.db2.gz YPDBMGXRZJEWPC-SECBINFHSA-N 1 2 220.276 1.899 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1coc(C)n1 ZINC000660148419 411546260 /nfs/dbraw/zinc/54/62/60/411546260.db2.gz LIGNESWHBVHODY-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1coc(C)n1 ZINC000660148419 411546261 /nfs/dbraw/zinc/54/62/61/411546261.db2.gz LIGNESWHBVHODY-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@]23C[C@H]2CCC3)n1 ZINC000657554072 411549127 /nfs/dbraw/zinc/54/91/27/411549127.db2.gz WJSUVQKVZMYWEX-BXKDBHETSA-N 1 2 235.335 1.460 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)CCC(C)C ZINC000361261083 170187252 /nfs/dbraw/zinc/18/72/52/170187252.db2.gz DCDGXHNNHMEYQX-NSHDSACASA-N 1 2 245.363 1.715 20 0 BDADLO CCOC(=O)CC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000132534809 170212013 /nfs/dbraw/zinc/21/20/13/170212013.db2.gz BUDXXPPTYMHBBR-VIFPVBQESA-N 1 2 237.303 1.929 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ccccc1O ZINC000341920218 170215219 /nfs/dbraw/zinc/21/52/19/170215219.db2.gz IWHWCPGOBSUANV-UHFFFAOYSA-N 1 2 237.299 1.430 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ccccc1O ZINC000341920218 170215221 /nfs/dbraw/zinc/21/52/21/170215221.db2.gz IWHWCPGOBSUANV-UHFFFAOYSA-N 1 2 237.299 1.430 20 0 BDADLO CCOC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000095774674 170218878 /nfs/dbraw/zinc/21/88/78/170218878.db2.gz MGFRWRSSKGDZQK-UHFFFAOYSA-N 1 2 207.220 1.281 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000072980268 170219200 /nfs/dbraw/zinc/21/92/00/170219200.db2.gz XATLNOISJIFBQH-GFCCVEGCSA-N 1 2 236.315 1.725 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000072980268 170219201 /nfs/dbraw/zinc/21/92/01/170219201.db2.gz XATLNOISJIFBQH-GFCCVEGCSA-N 1 2 236.315 1.725 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000341910871 170220015 /nfs/dbraw/zinc/22/00/15/170220015.db2.gz MKIPVZJBYYMEMX-MNOVXSKESA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000341910871 170220017 /nfs/dbraw/zinc/22/00/17/170220017.db2.gz MKIPVZJBYYMEMX-MNOVXSKESA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375004343 170220310 /nfs/dbraw/zinc/22/03/10/170220310.db2.gz MUURLGFNECIPGL-VIFPVBQESA-N 1 2 223.276 1.110 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2cccc(C)c2C1 ZINC000277318753 170221802 /nfs/dbraw/zinc/22/18/02/170221802.db2.gz UZMSRXGUULYHPK-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2cccc(C)c2C1 ZINC000277318753 170221803 /nfs/dbraw/zinc/22/18/03/170221803.db2.gz UZMSRXGUULYHPK-UHFFFAOYSA-N 1 2 233.311 1.916 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@@H]1COC(C)(C)C1)CC2 ZINC000660239853 411557748 /nfs/dbraw/zinc/55/77/48/411557748.db2.gz YFNAHWDAOKLJKR-NSHDSACASA-N 1 2 235.331 1.575 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@@H]1COC(C)(C)C1)CC2 ZINC000660239853 411557750 /nfs/dbraw/zinc/55/77/50/411557750.db2.gz YFNAHWDAOKLJKR-NSHDSACASA-N 1 2 235.331 1.575 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cccc[nH+]1 ZINC000260334045 170246318 /nfs/dbraw/zinc/24/63/18/170246318.db2.gz XLDVUMAKNONOEN-VIFPVBQESA-N 1 2 208.261 1.693 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)CCOCC1CCC1 ZINC000341679003 170247853 /nfs/dbraw/zinc/24/78/53/170247853.db2.gz SIJRZZJBPYINPX-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOCC1CCC1 ZINC000341679003 170247855 /nfs/dbraw/zinc/24/78/55/170247855.db2.gz SIJRZZJBPYINPX-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCc2ncccc2C1 ZINC000367846764 170250811 /nfs/dbraw/zinc/25/08/11/170250811.db2.gz CLOBCUDOBYNAMP-CYBMUJFWSA-N 1 2 248.326 1.781 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCc2ncccc2C1 ZINC000367846764 170250813 /nfs/dbraw/zinc/25/08/13/170250813.db2.gz CLOBCUDOBYNAMP-CYBMUJFWSA-N 1 2 248.326 1.781 20 0 BDADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)CC(C)(C)C1 ZINC000660248320 411559593 /nfs/dbraw/zinc/55/95/93/411559593.db2.gz PKIWGYMAKJWYDI-SNVBAGLBSA-N 1 2 222.336 1.715 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)CC(C)(C)C1 ZINC000660248320 411559594 /nfs/dbraw/zinc/55/95/94/411559594.db2.gz PKIWGYMAKJWYDI-SNVBAGLBSA-N 1 2 222.336 1.715 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOCC1CCC1 ZINC000341679004 170265796 /nfs/dbraw/zinc/26/57/96/170265796.db2.gz SIJRZZJBPYINPX-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCC1CCC1 ZINC000341679004 170265797 /nfs/dbraw/zinc/26/57/97/170265797.db2.gz SIJRZZJBPYINPX-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000358793472 170268323 /nfs/dbraw/zinc/26/83/23/170268323.db2.gz VBELFJGYMUPZNK-GUBZILKMSA-N 1 2 245.319 1.115 20 0 BDADLO CCOC(=O)[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000302557565 170269701 /nfs/dbraw/zinc/26/97/01/170269701.db2.gz LYFHRDAPKFZHLA-NXEZZACHSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](CC)OC ZINC000357302813 170270259 /nfs/dbraw/zinc/27/02/59/170270259.db2.gz SPPZPRLZFCCWGL-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362566010 170272176 /nfs/dbraw/zinc/27/21/76/170272176.db2.gz WEUBKMZANKFVHJ-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362566010 170272177 /nfs/dbraw/zinc/27/21/77/170272177.db2.gz WEUBKMZANKFVHJ-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000300372056 170272251 /nfs/dbraw/zinc/27/22/51/170272251.db2.gz WJYFWASETLLWNK-NHCYSSNCSA-N 1 2 229.320 1.485 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300423040 170272540 /nfs/dbraw/zinc/27/25/40/170272540.db2.gz NLZAHBYBXYNXTO-SRVKXCTJSA-N 1 2 241.331 1.485 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@]1(C)CCO[C@H]1C ZINC000300372054 170272563 /nfs/dbraw/zinc/27/25/63/170272563.db2.gz WJYFWASETLLWNK-JBLDHEPKSA-N 1 2 229.320 1.485 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)on1 ZINC000660274069 411562856 /nfs/dbraw/zinc/56/28/56/411562856.db2.gz NDDBFRGDIXQPFX-ZETCQYMHSA-N 1 2 222.248 1.257 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000050064111 170280435 /nfs/dbraw/zinc/28/04/35/170280435.db2.gz FSWVPDRMVFCZTE-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000050064111 170280438 /nfs/dbraw/zinc/28/04/38/170280438.db2.gz FSWVPDRMVFCZTE-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1conc1C ZINC000293768833 170281346 /nfs/dbraw/zinc/28/13/46/170281346.db2.gz ZTDZBVIVBDLJLN-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1conc1C ZINC000293768833 170281348 /nfs/dbraw/zinc/28/13/48/170281348.db2.gz ZTDZBVIVBDLJLN-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO COC[C@H]1CCCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660292845 411565401 /nfs/dbraw/zinc/56/54/01/411565401.db2.gz LDNZGIPSNZTARB-NSHDSACASA-N 1 2 238.335 1.096 20 0 BDADLO COC[C@H]1CCCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660292845 411565402 /nfs/dbraw/zinc/56/54/02/411565402.db2.gz LDNZGIPSNZTARB-NSHDSACASA-N 1 2 238.335 1.096 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cn(C)cn2)CCO1 ZINC000660380004 411572306 /nfs/dbraw/zinc/57/23/06/411572306.db2.gz JAFUKCKGSSJJKV-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cn(C)cn2)CCO1 ZINC000660380004 411572307 /nfs/dbraw/zinc/57/23/07/411572307.db2.gz JAFUKCKGSSJJKV-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@@]1(C)CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000660380004 411572309 /nfs/dbraw/zinc/57/23/09/411572309.db2.gz JAFUKCKGSSJJKV-LBPRGKRZSA-N 1 2 223.320 1.421 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2CC[C@@H]2CC)n1 ZINC000331478941 170309471 /nfs/dbraw/zinc/30/94/71/170309471.db2.gz HRPWBKMHTQFFGV-QMMMGPOBSA-N 1 2 239.275 1.231 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2CC[C@@H]2CC)n1 ZINC000331478941 170309472 /nfs/dbraw/zinc/30/94/72/170309472.db2.gz HRPWBKMHTQFFGV-QMMMGPOBSA-N 1 2 239.275 1.231 20 0 BDADLO C[C@]1(C[NH2+]Cc2ccn[nH]2)CC1(F)F ZINC000657667022 411573205 /nfs/dbraw/zinc/57/32/05/411573205.db2.gz WKJSMZOIGJQNCI-MRVPVSSYSA-N 1 2 201.220 1.545 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CC1(C)C)c1[nH+]ccn1C ZINC000660372882 411574151 /nfs/dbraw/zinc/57/41/51/411574151.db2.gz IIGODWMVCSOSQG-BDAKNGLRSA-N 1 2 236.319 1.579 20 0 BDADLO CCOCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000299090545 170345717 /nfs/dbraw/zinc/34/57/17/170345717.db2.gz TXZYHACELJBHPO-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO CCOCC(=O)Nc1c[nH+]ccc1OC ZINC000299501706 170349349 /nfs/dbraw/zinc/34/93/49/170349349.db2.gz QPGYCRSPOHDBEF-UHFFFAOYSA-N 1 2 210.233 1.065 20 0 BDADLO CCOCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280757322 170364108 /nfs/dbraw/zinc/36/41/08/170364108.db2.gz LQKOWMGCFYJJHA-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO COCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC000660318758 411568523 /nfs/dbraw/zinc/56/85/23/411568523.db2.gz MSBUBWRWMWLYBN-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO COCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC000660318758 411568524 /nfs/dbraw/zinc/56/85/24/411568524.db2.gz MSBUBWRWMWLYBN-UHFFFAOYSA-N 1 2 222.288 1.762 20 0 BDADLO CCOCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000093401852 170386228 /nfs/dbraw/zinc/38/62/28/170386228.db2.gz VLJXSSONHWTYON-UHFFFAOYSA-N 1 2 237.303 1.890 20 0 BDADLO c1cncc(C[N@@H+]2CCc3cncnc3C2)c1 ZINC000069513854 411570303 /nfs/dbraw/zinc/57/03/03/411570303.db2.gz ZWODBHPIKNYLAN-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO c1cncc(C[N@H+]2CCc3cncnc3C2)c1 ZINC000069513854 411570305 /nfs/dbraw/zinc/57/03/05/411570305.db2.gz ZWODBHPIKNYLAN-UHFFFAOYSA-N 1 2 226.283 1.430 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)on1 ZINC000660781104 411629372 /nfs/dbraw/zinc/62/93/72/411629372.db2.gz XMFLSXYYNZOMGD-CBAPKCEASA-N 1 2 226.301 1.373 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)on1 ZINC000660781104 411629376 /nfs/dbraw/zinc/62/93/76/411629376.db2.gz XMFLSXYYNZOMGD-CBAPKCEASA-N 1 2 226.301 1.373 20 0 BDADLO CN(C)C(=O)C1([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000660802170 411637600 /nfs/dbraw/zinc/63/76/00/411637600.db2.gz XWXCYLVORWJVKH-UHFFFAOYSA-N 1 2 249.314 1.262 20 0 BDADLO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1csnn1 ZINC000660805468 411640102 /nfs/dbraw/zinc/64/01/02/411640102.db2.gz CGNLOGBQOYYVKS-SVRRBLITSA-N 1 2 249.286 1.613 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)co1 ZINC000660389356 411577477 /nfs/dbraw/zinc/57/74/77/411577477.db2.gz LHQVFVBWZNVOCJ-WCQGTBRESA-N 1 2 249.314 1.069 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)co1 ZINC000660389356 411577480 /nfs/dbraw/zinc/57/74/80/411577480.db2.gz LHQVFVBWZNVOCJ-WCQGTBRESA-N 1 2 249.314 1.069 20 0 BDADLO OC(C[NH2+]Cc1ccn[nH]1)(C1CC1)C1CC1 ZINC000657697411 411581851 /nfs/dbraw/zinc/58/18/51/411581851.db2.gz BJQUMEIQVYMSBI-UHFFFAOYSA-N 1 2 221.304 1.050 20 0 BDADLO c1cc([C@H]2CCC[N@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000660430466 411583655 /nfs/dbraw/zinc/58/36/55/411583655.db2.gz UZMIKYAZRJWYGK-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO c1cc([C@H]2CCC[N@@H+]2Cc2cn[nH]c2)n[nH]1 ZINC000660430466 411583656 /nfs/dbraw/zinc/58/36/56/411583656.db2.gz UZMIKYAZRJWYGK-LLVKDONJSA-N 1 2 217.276 1.470 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000660444837 411585919 /nfs/dbraw/zinc/58/59/19/411585919.db2.gz QUSLWDHWSWFBDQ-BDAKNGLRSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)[nH]1 ZINC000660444837 411585921 /nfs/dbraw/zinc/58/59/21/411585921.db2.gz QUSLWDHWSWFBDQ-BDAKNGLRSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000657734256 411589615 /nfs/dbraw/zinc/58/96/15/411589615.db2.gz IUVWKBMGFUSULB-JZYVYDRUSA-N 1 2 235.335 1.316 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660466077 411589943 /nfs/dbraw/zinc/58/99/43/411589943.db2.gz DNGGKLJDRDOQGG-ZJUUUORDSA-N 1 2 238.335 1.986 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660466077 411589944 /nfs/dbraw/zinc/58/99/44/411589944.db2.gz DNGGKLJDRDOQGG-ZJUUUORDSA-N 1 2 238.335 1.986 20 0 BDADLO Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]Cc3ccn[nH]3)[C@H]21 ZINC000657788802 411596974 /nfs/dbraw/zinc/59/69/74/411596974.db2.gz CASBHUXYYWWMEE-MJBXVCDLSA-N 1 2 243.285 1.977 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2CCC(F)(F)[C@H](C)C2)C1=O ZINC000660566102 411601331 /nfs/dbraw/zinc/60/13/31/411601331.db2.gz MTYBPRUWECSRRN-RKDXNWHRSA-N 1 2 248.273 1.126 20 0 BDADLO CCN1OC[C@@H]([N@H+]2CCC(F)(F)[C@H](C)C2)C1=O ZINC000660566102 411601332 /nfs/dbraw/zinc/60/13/32/411601332.db2.gz MTYBPRUWECSRRN-RKDXNWHRSA-N 1 2 248.273 1.126 20 0 BDADLO c1csc(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000657841464 411610101 /nfs/dbraw/zinc/61/01/01/411610101.db2.gz GTLZHXVKYNJEML-SECBINFHSA-N 1 2 234.328 1.964 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCn3nccc32)no1 ZINC000657851745 411612037 /nfs/dbraw/zinc/61/20/37/411612037.db2.gz QWCUVDOBBNFBHR-LLVKDONJSA-N 1 2 232.287 1.804 20 0 BDADLO CCc1nocc1C[N@@H+]1CCOC[C@@H]1C ZINC000660647518 411612669 /nfs/dbraw/zinc/61/26/69/411612669.db2.gz FNOJSYBOVDBJPD-VIFPVBQESA-N 1 2 210.277 1.458 20 0 BDADLO CCc1nocc1C[N@H+]1CCOC[C@@H]1C ZINC000660647518 411612670 /nfs/dbraw/zinc/61/26/70/411612670.db2.gz FNOJSYBOVDBJPD-VIFPVBQESA-N 1 2 210.277 1.458 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCC(C)(C)F ZINC000660705716 411618200 /nfs/dbraw/zinc/61/82/00/411618200.db2.gz NFSFYVLPWVKTCA-UHFFFAOYSA-N 1 2 242.298 1.358 20 0 BDADLO CCO[C@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660721254 411618718 /nfs/dbraw/zinc/61/87/18/411618718.db2.gz NNOZRVIKWHLNCW-PWSUYJOCSA-N 1 2 238.335 1.094 20 0 BDADLO CCO[C@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660721254 411618719 /nfs/dbraw/zinc/61/87/19/411618719.db2.gz NNOZRVIKWHLNCW-PWSUYJOCSA-N 1 2 238.335 1.094 20 0 BDADLO CC(=O)c1cc(CN(C)Cc2c[nH+]c[nH]2)on1 ZINC000661091115 411703850 /nfs/dbraw/zinc/70/38/50/411703850.db2.gz VIWUGRCJTRLLBN-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CC(=O)c1cc(CN(C)Cc2c[nH]c[nH+]2)on1 ZINC000661091115 411703854 /nfs/dbraw/zinc/70/38/54/411703854.db2.gz VIWUGRCJTRLLBN-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c[nH]2)nc(C)n1 ZINC000661094451 411705601 /nfs/dbraw/zinc/70/56/01/411705601.db2.gz WWRHNBDXOJNOBD-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CC[C@H](C)[N@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000661108334 411711667 /nfs/dbraw/zinc/71/16/67/411711667.db2.gz RXEIHDKGMRTDQY-JTQLQIEISA-N 1 2 248.330 1.643 20 0 BDADLO CC[C@H](C)[N@@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC000661108334 411711670 /nfs/dbraw/zinc/71/16/70/411711670.db2.gz RXEIHDKGMRTDQY-JTQLQIEISA-N 1 2 248.330 1.643 20 0 BDADLO CCOC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000489920099 411711940 /nfs/dbraw/zinc/71/19/40/411711940.db2.gz DNNWGKXZIBPDPK-QMMMGPOBSA-N 1 2 239.323 1.083 20 0 BDADLO CCOC[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000489920099 411711942 /nfs/dbraw/zinc/71/19/42/411711942.db2.gz DNNWGKXZIBPDPK-QMMMGPOBSA-N 1 2 239.323 1.083 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850772 411656585 /nfs/dbraw/zinc/65/65/85/411656585.db2.gz XRRKIKMRRYAFKY-VIFPVBQESA-N 1 2 233.271 1.968 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850772 411656588 /nfs/dbraw/zinc/65/65/88/411656588.db2.gz XRRKIKMRRYAFKY-VIFPVBQESA-N 1 2 233.271 1.968 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000624541259 411658602 /nfs/dbraw/zinc/65/86/02/411658602.db2.gz XFLQYAAAYGCHIF-AOOOYVTPSA-N 1 2 246.314 1.338 20 0 BDADLO O[C@H](CNc1cc[nH+]c(C2CC2)n1)[C@H]1CCOC1 ZINC000605572326 411697164 /nfs/dbraw/zinc/69/71/64/411697164.db2.gz VPKJGKRZIZYZGV-WDEREUQCSA-N 1 2 249.314 1.163 20 0 BDADLO C[N@H+](CCOCC(F)(F)F)Cc1cnc[nH]1 ZINC000661087350 411698606 /nfs/dbraw/zinc/69/86/06/411698606.db2.gz SJJGUBQHHNWVIW-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO C[N@@H+](CCOCC(F)(F)F)Cc1cnc[nH]1 ZINC000661087350 411698609 /nfs/dbraw/zinc/69/86/09/411698609.db2.gz SJJGUBQHHNWVIW-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO C[N@H+](CCOCC(F)(F)F)Cc1c[nH]cn1 ZINC000661087350 411698613 /nfs/dbraw/zinc/69/86/13/411698613.db2.gz SJJGUBQHHNWVIW-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO C[N@@H+](CCOCC(F)(F)F)Cc1c[nH]cn1 ZINC000661087350 411698614 /nfs/dbraw/zinc/69/86/14/411698614.db2.gz SJJGUBQHHNWVIW-UHFFFAOYSA-N 1 2 237.225 1.420 20 0 BDADLO Cc1ncc(CN(C)Cc2c[nH+]c[nH]2)cn1 ZINC000661087135 411700571 /nfs/dbraw/zinc/70/05/71/411700571.db2.gz CJKXRDAUPXEVCJ-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO CCC(=O)CCC[N@H+](C)Cc1cnc[nH]1 ZINC000661091176 411702282 /nfs/dbraw/zinc/70/22/82/411702282.db2.gz WMDPLVCGEQCJDW-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO CCC(=O)CCC[N@@H+](C)Cc1cnc[nH]1 ZINC000661091176 411702285 /nfs/dbraw/zinc/70/22/85/411702285.db2.gz WMDPLVCGEQCJDW-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO CN(Cc1cn(CC2CC2)nn1)Cc1c[nH+]c[nH]1 ZINC000661091140 411703094 /nfs/dbraw/zinc/70/30/94/411703094.db2.gz VQJVFVMUGDGRPI-UHFFFAOYSA-N 1 2 246.318 1.043 20 0 BDADLO CN(Cc1cn(CC2CC2)nn1)Cc1c[nH]c[nH+]1 ZINC000661091140 411703096 /nfs/dbraw/zinc/70/30/96/411703096.db2.gz VQJVFVMUGDGRPI-UHFFFAOYSA-N 1 2 246.318 1.043 20 0 BDADLO C[C@@H](CF)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661185273 411731428 /nfs/dbraw/zinc/73/14/28/411731428.db2.gz CWYCBGXLYNAQEA-YUMQZZPRSA-N 1 2 228.271 1.138 20 0 BDADLO COc1ccc2[nH+]c(NC(CO)CO)ccc2c1 ZINC000608090327 411733204 /nfs/dbraw/zinc/73/32/04/411733204.db2.gz AYSQBTRQIMPODK-UHFFFAOYSA-N 1 2 248.282 1.009 20 0 BDADLO COc1cccc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000616946749 411746012 /nfs/dbraw/zinc/74/60/12/411746012.db2.gz GOEFBJJWFJNMGS-UHFFFAOYSA-N 1 2 246.270 1.005 20 0 BDADLO CC[C@H](COC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488401459 411751197 /nfs/dbraw/zinc/75/11/97/411751197.db2.gz AMSKWGVSNZUBEL-SECBINFHSA-N 1 2 239.323 1.083 20 0 BDADLO CC[C@H](COC)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488401459 411751200 /nfs/dbraw/zinc/75/12/00/411751200.db2.gz AMSKWGVSNZUBEL-SECBINFHSA-N 1 2 239.323 1.083 20 0 BDADLO COc1ccc[nH+]c1NCCNc1ccn(C)n1 ZINC000527989392 411761947 /nfs/dbraw/zinc/76/19/47/411761947.db2.gz YZRIVKJWWSCDGV-UHFFFAOYSA-N 1 2 247.302 1.348 20 0 BDADLO O[C@@H]1CC[N@H+](CC2CCOCC2)CC1(F)F ZINC000661399109 411767764 /nfs/dbraw/zinc/76/77/64/411767764.db2.gz IZCUSGMNYHUGHX-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(F)F ZINC000661399109 411767769 /nfs/dbraw/zinc/76/77/69/411767769.db2.gz IZCUSGMNYHUGHX-SNVBAGLBSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000661405812 411768741 /nfs/dbraw/zinc/76/87/41/411768741.db2.gz GVNZKIBSLAVQFZ-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000661405812 411768745 /nfs/dbraw/zinc/76/87/45/411768745.db2.gz GVNZKIBSLAVQFZ-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@H+](CC2CC=CC2)CC1(F)F ZINC000661415515 411771929 /nfs/dbraw/zinc/77/19/29/411771929.db2.gz ZHEQQHQJSZEMQB-JTQLQIEISA-N 1 2 217.259 1.655 20 0 BDADLO O[C@H]1CC[N@@H+](CC2CC=CC2)CC1(F)F ZINC000661415515 411771932 /nfs/dbraw/zinc/77/19/32/411771932.db2.gz ZHEQQHQJSZEMQB-JTQLQIEISA-N 1 2 217.259 1.655 20 0 BDADLO COC1(CC[N@@H+]2CC[C@H](O)C(F)(F)C2)CCC1 ZINC000661415512 411772293 /nfs/dbraw/zinc/77/22/93/411772293.db2.gz ZGLDFJOIKUUNOA-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO COC1(CC[N@H+]2CC[C@H](O)C(F)(F)C2)CCC1 ZINC000661415512 411772297 /nfs/dbraw/zinc/77/22/97/411772297.db2.gz ZGLDFJOIKUUNOA-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cn(C)cn1 ZINC000661463801 411779451 /nfs/dbraw/zinc/77/94/51/411779451.db2.gz UBHJCBOUCXVAIC-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cn(C)cn1 ZINC000661463801 411779455 /nfs/dbraw/zinc/77/94/55/411779455.db2.gz UBHJCBOUCXVAIC-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccn(C)n1 ZINC000661463885 411782083 /nfs/dbraw/zinc/78/20/83/411782083.db2.gz VTHGXNYUYMURMA-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccn(C)n1 ZINC000661463885 411782087 /nfs/dbraw/zinc/78/20/87/411782087.db2.gz VTHGXNYUYMURMA-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO Cc1cc(NCCn2cnnc2)nc(C2CC2)[nH+]1 ZINC000663951731 411788571 /nfs/dbraw/zinc/78/85/71/411788571.db2.gz RJWXSDLKIIZCIM-UHFFFAOYSA-N 1 2 244.302 1.366 20 0 BDADLO Cn1cnnc1C[NH+]1CCC(c2ccco2)CC1 ZINC000661162952 411724755 /nfs/dbraw/zinc/72/47/55/411724755.db2.gz ZLFQJKRFOWPFDL-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO OCCOCCN(c1cccc[nH+]1)C1CCC1 ZINC000664132679 411864335 /nfs/dbraw/zinc/86/43/35/411864335.db2.gz LXHDGOFCHNZXHJ-UHFFFAOYSA-N 1 2 236.315 1.449 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC(C)(C)O2)o1 ZINC000661529170 411796908 /nfs/dbraw/zinc/79/69/08/411796908.db2.gz PSOHTPVLEWKFJP-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC(C)(C)O2)o1 ZINC000661529170 411796910 /nfs/dbraw/zinc/79/69/10/411796910.db2.gz PSOHTPVLEWKFJP-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)NCc1[nH+]ccn1C ZINC000663974023 411796949 /nfs/dbraw/zinc/79/69/49/411796949.db2.gz FMROQGRKABZWJM-SNVBAGLBSA-N 1 2 238.335 1.750 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H](C)C1=O ZINC000661544337 411800010 /nfs/dbraw/zinc/80/00/10/411800010.db2.gz BBDUYZOLRXEERN-RKDXNWHRSA-N 1 2 207.277 1.067 20 0 BDADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H](C)C1=O ZINC000661544337 411800014 /nfs/dbraw/zinc/80/00/14/411800014.db2.gz BBDUYZOLRXEERN-RKDXNWHRSA-N 1 2 207.277 1.067 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccno2)C[C@@H](C)C1=O ZINC000661545839 411800247 /nfs/dbraw/zinc/80/02/47/411800247.db2.gz GRFSBRIAMAYUTF-RKDXNWHRSA-N 1 2 208.261 1.332 20 0 BDADLO CC[C@@]1(C)CC(=O)N(Cc2ccc[nH+]c2N)C1=O ZINC000664000001 411808399 /nfs/dbraw/zinc/80/83/99/411808399.db2.gz ODCKIBIOFRBDHD-ZDUSSCGKSA-N 1 2 247.298 1.339 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)CC1=CCCOC1 ZINC000661655284 411831614 /nfs/dbraw/zinc/83/16/14/411831614.db2.gz OIZQSJNEGYUQHB-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)CC1=CCCOC1 ZINC000661655284 411831616 /nfs/dbraw/zinc/83/16/16/411831616.db2.gz OIZQSJNEGYUQHB-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO Cc1nc(N2C[C@@H]3CCCC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000664082308 411844889 /nfs/dbraw/zinc/84/48/89/411844889.db2.gz CORZBIJKBOQTEP-QWRGUYRKSA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000664082308 411844893 /nfs/dbraw/zinc/84/48/93/411844893.db2.gz CORZBIJKBOQTEP-QWRGUYRKSA-N 1 2 247.346 1.625 20 0 BDADLO COc1cc[nH+]cc1Cn1cnc(C)n1 ZINC000664084255 411846868 /nfs/dbraw/zinc/84/68/68/411846868.db2.gz SXAVIDDZYRKBRC-UHFFFAOYSA-N 1 2 204.233 1.038 20 0 BDADLO Cc1nsc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664126807 411863363 /nfs/dbraw/zinc/86/33/63/411863363.db2.gz KMINHFNEKIQWGZ-UHFFFAOYSA-N 1 2 209.278 1.206 20 0 BDADLO Cc1nsc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664126807 411863368 /nfs/dbraw/zinc/86/33/68/411863368.db2.gz KMINHFNEKIQWGZ-UHFFFAOYSA-N 1 2 209.278 1.206 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1cc(C)[nH+]cn1 ZINC000301278227 170783068 /nfs/dbraw/zinc/78/30/68/170783068.db2.gz ZIQMXXULOPILFH-SCZZXKLOSA-N 1 2 209.293 1.604 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncccn2)C[C@H](C)O1 ZINC000661850626 411900608 /nfs/dbraw/zinc/90/06/08/411900608.db2.gz LKANXWMADIJFTI-MNOVXSKESA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@H](C)O1 ZINC000661850626 411900614 /nfs/dbraw/zinc/90/06/14/411900614.db2.gz LKANXWMADIJFTI-MNOVXSKESA-N 1 2 221.304 1.476 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852985 411902522 /nfs/dbraw/zinc/90/25/22/411902522.db2.gz OHWKGGWEUVNTRH-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852985 411902527 /nfs/dbraw/zinc/90/25/27/411902527.db2.gz OHWKGGWEUVNTRH-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)no1 ZINC000661858531 411905634 /nfs/dbraw/zinc/90/56/34/411905634.db2.gz YGGBYUMBYZMUBD-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)no1 ZINC000661858531 411905637 /nfs/dbraw/zinc/90/56/37/411905637.db2.gz YGGBYUMBYZMUBD-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1cc(N[C@H](C)C2(CO)CC2)nc[nH+]1 ZINC000664273528 411906929 /nfs/dbraw/zinc/90/69/29/411906929.db2.gz WCQIULRADXMYGG-SECBINFHSA-N 1 2 207.277 1.358 20 0 BDADLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)C1(CO)CC1 ZINC000664270600 411907538 /nfs/dbraw/zinc/90/75/38/411907538.db2.gz IISVAOPKCNTLCX-VIFPVBQESA-N 1 2 248.330 1.624 20 0 BDADLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)C1(CO)CC1 ZINC000664270600 411907543 /nfs/dbraw/zinc/90/75/43/411907543.db2.gz IISVAOPKCNTLCX-VIFPVBQESA-N 1 2 248.330 1.624 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC000264817657 170799802 /nfs/dbraw/zinc/79/98/02/170799802.db2.gz QCQBLEZXVLHZPI-PSASIEDQSA-N 1 2 249.318 1.182 20 0 BDADLO CCO[C@H]1C[C@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000664281411 411912515 /nfs/dbraw/zinc/91/25/15/411912515.db2.gz DNDLIDPANSUJPE-ZKCHVHJHSA-N 1 2 238.291 1.047 20 0 BDADLO CCO[C@H]1C[C@H](Nc2[nH+]cnc(N)c2OC)C1 ZINC000664281411 411912516 /nfs/dbraw/zinc/91/25/16/411912516.db2.gz DNDLIDPANSUJPE-ZKCHVHJHSA-N 1 2 238.291 1.047 20 0 BDADLO CCc1cc(NCCO[C@H]2CC2(F)F)nc[nH+]1 ZINC000664313132 411919875 /nfs/dbraw/zinc/91/98/75/411919875.db2.gz GPXRLJAOMLCYEY-VIFPVBQESA-N 1 2 243.257 1.875 20 0 BDADLO C[C@H]1CC[C@H](Nc2cccc[nH+]2)CS1(=O)=O ZINC000664357316 411929588 /nfs/dbraw/zinc/92/95/88/411929588.db2.gz UJWFPOKURMSTMZ-UWVGGRQHSA-N 1 2 240.328 1.459 20 0 BDADLO Cc1nc(N[C@H](CO)C2CCC2)cc[nH+]1 ZINC000664170137 411877901 /nfs/dbraw/zinc/87/79/01/411877901.db2.gz ALNHXFUDBNTRFF-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661772071 411883023 /nfs/dbraw/zinc/88/30/23/411883023.db2.gz VFNAJZXTEDHADH-VHSXEESVSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)no1 ZINC000661772071 411883026 /nfs/dbraw/zinc/88/30/26/411883026.db2.gz VFNAJZXTEDHADH-VHSXEESVSA-N 1 2 239.319 1.538 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](C)n3ncnc32)nc[nH+]1 ZINC000664189146 411884579 /nfs/dbraw/zinc/88/45/79/411884579.db2.gz ZICZFBYELGXMKY-BDAKNGLRSA-N 1 2 230.275 1.494 20 0 BDADLO c1nc(N2CC[C@@H]3C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000664526129 411977506 /nfs/dbraw/zinc/97/75/06/411977506.db2.gz SYKQEZLBLLUMGO-VXGBXAGGSA-N 1 2 244.342 1.923 20 0 BDADLO c1nc(N2CCCC2)cc(N2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000664526129 411977508 /nfs/dbraw/zinc/97/75/08/411977508.db2.gz SYKQEZLBLLUMGO-VXGBXAGGSA-N 1 2 244.342 1.923 20 0 BDADLO Cn1ncc2c1nc(NCC1=CCCC1)[nH+]c2N ZINC000664544610 411981666 /nfs/dbraw/zinc/98/16/66/411981666.db2.gz YXAFRLMJAIDCDW-UHFFFAOYSA-N 1 2 244.302 1.468 20 0 BDADLO Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)nc[nH+]1 ZINC000664556044 411986416 /nfs/dbraw/zinc/98/64/16/411986416.db2.gz IWLGRTJZHCZRNZ-MNOVXSKESA-N 1 2 219.288 1.258 20 0 BDADLO c1cc(N2CC[C@@H]3COC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000664555627 411986431 /nfs/dbraw/zinc/98/64/31/411986431.db2.gz GXHLABREGNPWPC-VXGBXAGGSA-N 1 2 245.326 1.827 20 0 BDADLO Cc1nc(N2CCc3nccnc3C2)cc[nH+]1 ZINC000664592983 411991094 /nfs/dbraw/zinc/99/10/94/411991094.db2.gz WJDDQGBTSBUMND-UHFFFAOYSA-N 1 2 227.271 1.138 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3nccnc3C2)s1 ZINC000662122256 411992364 /nfs/dbraw/zinc/99/23/64/411992364.db2.gz YEEFSXIJSPBJEA-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3nccnc3C2)s1 ZINC000662122256 411992365 /nfs/dbraw/zinc/99/23/65/411992365.db2.gz YEEFSXIJSPBJEA-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1C[C@]1(C)OC ZINC000664604828 411996612 /nfs/dbraw/zinc/99/66/12/411996612.db2.gz VWEOERBKDMLKLT-KCJUWKMLSA-N 1 2 223.276 1.383 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000664606970 411998327 /nfs/dbraw/zinc/99/83/27/411998327.db2.gz XNUOAHGEZPZBKY-OLZOCXBDSA-N 1 2 229.283 1.641 20 0 BDADLO CC1(C)CC(Nc2nc[nH+]c3c2OCCN3)C1 ZINC000664628658 412001415 /nfs/dbraw/zinc/00/14/15/412001415.db2.gz JAFYCZCIGCWVDD-UHFFFAOYSA-N 1 2 234.303 1.881 20 0 BDADLO CC1(C)CC(Nc2[nH+]cnc3c2OCCN3)C1 ZINC000664628658 412001417 /nfs/dbraw/zinc/00/14/17/412001417.db2.gz JAFYCZCIGCWVDD-UHFFFAOYSA-N 1 2 234.303 1.881 20 0 BDADLO CN(C[C@H]1CC1(C)C)c1[nH+]cnc2c1cnn2C ZINC000664670690 412007554 /nfs/dbraw/zinc/00/75/54/412007554.db2.gz WLGLUCRXPXQJCL-SECBINFHSA-N 1 2 245.330 1.846 20 0 BDADLO CCn1nccc1CNc1cc[nH+]c(C)n1 ZINC000664680965 412009409 /nfs/dbraw/zinc/00/94/09/412009409.db2.gz UCKPRTMFGIYARU-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC000664437962 411957042 /nfs/dbraw/zinc/95/70/42/411957042.db2.gz QBSQORGUOUCJOI-SNVBAGLBSA-N 1 2 235.335 1.847 20 0 BDADLO CC[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)C1CC1 ZINC000664437962 411957044 /nfs/dbraw/zinc/95/70/44/411957044.db2.gz QBSQORGUOUCJOI-SNVBAGLBSA-N 1 2 235.335 1.847 20 0 BDADLO C[C@@H](NC(=O)c1nccs1)c1[nH+]ccn1C ZINC000664455280 411962915 /nfs/dbraw/zinc/96/29/15/411962915.db2.gz WWBSHPKXRQNWFV-SSDOTTSWSA-N 1 2 236.300 1.368 20 0 BDADLO CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838578 412031437 /nfs/dbraw/zinc/03/14/37/412031437.db2.gz UOGLIQVSXPUHAP-ZDUSSCGKSA-N 1 2 247.342 1.601 20 0 BDADLO CCNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664838578 412031440 /nfs/dbraw/zinc/03/14/40/412031440.db2.gz UOGLIQVSXPUHAP-ZDUSSCGKSA-N 1 2 247.342 1.601 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662228264 412031952 /nfs/dbraw/zinc/03/19/52/412031952.db2.gz WOMRZZKUJPTVLW-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662228264 412031957 /nfs/dbraw/zinc/03/19/57/412031957.db2.gz WOMRZZKUJPTVLW-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO OCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231614 412032611 /nfs/dbraw/zinc/03/26/11/412032611.db2.gz QFNRRACPARHPIQ-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO OCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231614 412032614 /nfs/dbraw/zinc/03/26/14/412032614.db2.gz QFNRRACPARHPIQ-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO FC(F)(F)C[C@H]1C[N@@H+]([C@@H]2CCOC2)CCO1 ZINC000662228259 412033015 /nfs/dbraw/zinc/03/30/15/412033015.db2.gz WOMIMPYTKLZNLR-BDAKNGLRSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)C[C@H]1C[N@H+]([C@@H]2CCOC2)CCO1 ZINC000662228259 412033019 /nfs/dbraw/zinc/03/30/19/412033019.db2.gz WOMIMPYTKLZNLR-BDAKNGLRSA-N 1 2 239.237 1.429 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CC[C@H](C)O2)s1 ZINC000662257200 412051452 /nfs/dbraw/zinc/05/14/52/412051452.db2.gz QWPPLPNYYLDWKB-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CC[C@H](C)O2)s1 ZINC000662257200 412051455 /nfs/dbraw/zinc/05/14/55/412051455.db2.gz QWPPLPNYYLDWKB-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336514752 171019531 /nfs/dbraw/zinc/01/95/31/171019531.db2.gz NXVAREWNVDMOBD-ZJUUUORDSA-N 1 2 233.315 1.841 20 0 BDADLO CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(COC)no1 ZINC000330262259 171026759 /nfs/dbraw/zinc/02/67/59/171026759.db2.gz UTFBGZKHCUUEOF-DTWKUNHWSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(COC)no1 ZINC000330262259 171026762 /nfs/dbraw/zinc/02/67/62/171026762.db2.gz UTFBGZKHCUUEOF-DTWKUNHWSA-N 1 2 225.292 1.761 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)O1 ZINC000362525153 171028795 /nfs/dbraw/zinc/02/87/95/171028795.db2.gz QTSORWPIWFNZLB-ZJUUUORDSA-N 1 2 237.303 1.326 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)C[C@@H]1CCc2ccccc21 ZINC000662196566 412022835 /nfs/dbraw/zinc/02/28/35/412022835.db2.gz MVEVZDVSGMLIDV-LBPRGKRZSA-N 1 2 242.326 1.967 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)C[C@@H]1CCc2ccccc21 ZINC000662196566 412022840 /nfs/dbraw/zinc/02/28/40/412022840.db2.gz MVEVZDVSGMLIDV-LBPRGKRZSA-N 1 2 242.326 1.967 20 0 BDADLO CCO[C@H](CC)c1noc(C[NH+](C)C)n1 ZINC000665037699 412063173 /nfs/dbraw/zinc/06/31/73/412063173.db2.gz CCTIEFRVFLKGHQ-MRVPVSSYSA-N 1 2 213.281 1.619 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2C)CCCO1 ZINC000281169243 171089103 /nfs/dbraw/zinc/08/91/03/171089103.db2.gz GURVJSFSABBXJE-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2C)CCCO1 ZINC000281169243 171089105 /nfs/dbraw/zinc/08/91/05/171089105.db2.gz GURVJSFSABBXJE-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156457 171089356 /nfs/dbraw/zinc/08/93/56/171089356.db2.gz NDOYYKHTTITEEY-SNVBAGLBSA-N 1 2 225.288 1.383 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CCO1 ZINC000161156457 171089358 /nfs/dbraw/zinc/08/93/58/171089358.db2.gz NDOYYKHTTITEEY-SNVBAGLBSA-N 1 2 225.288 1.383 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000290439142 171090408 /nfs/dbraw/zinc/09/04/08/171090408.db2.gz NTPYNUZEKJJGNO-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@H](C)O1 ZINC000290439142 171090409 /nfs/dbraw/zinc/09/04/09/171090409.db2.gz NTPYNUZEKJJGNO-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2[nH]ncc2C)C[C@H](C)O1 ZINC000290439142 171090411 /nfs/dbraw/zinc/09/04/11/171090411.db2.gz NTPYNUZEKJJGNO-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2[nH]ncc2C)C[C@H](C)O1 ZINC000290439142 171090412 /nfs/dbraw/zinc/09/04/12/171090412.db2.gz NTPYNUZEKJJGNO-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000111273785 171091539 /nfs/dbraw/zinc/09/15/39/171091539.db2.gz QLRZEZXTHQTVSB-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)[S@]1=O ZINC000286041703 171091832 /nfs/dbraw/zinc/09/18/32/171091832.db2.gz QUAZDTZMVDIWOF-YNHOBRIKSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncc[nH]2)CCS1 ZINC000173929465 171092175 /nfs/dbraw/zinc/09/21/75/171092175.db2.gz GXIODAQTNQFGRB-SECBINFHSA-N 1 2 211.334 1.737 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncc[nH]2)CCS1 ZINC000173929465 171092178 /nfs/dbraw/zinc/09/21/78/171092178.db2.gz GXIODAQTNQFGRB-SECBINFHSA-N 1 2 211.334 1.737 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nncn2C)CCS1 ZINC000335285744 171094807 /nfs/dbraw/zinc/09/48/07/171094807.db2.gz ZNDVCVJNBNKUMQ-VHSXEESVSA-N 1 2 240.376 1.704 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nncn2C)CCS1 ZINC000335285744 171094808 /nfs/dbraw/zinc/09/48/08/171094808.db2.gz ZNDVCVJNBNKUMQ-VHSXEESVSA-N 1 2 240.376 1.704 20 0 BDADLO CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@H]1O ZINC000340576055 171098243 /nfs/dbraw/zinc/09/82/43/171098243.db2.gz XIAFQIYYJMFVMH-GHMZBOCLSA-N 1 2 235.331 1.807 20 0 BDADLO CC[C@@H]1CN2C(=N1)c1c(c(C)nn1C)[NH+]=C2C ZINC000100659584 171100411 /nfs/dbraw/zinc/10/04/11/171100411.db2.gz YFAVYALYCRERKH-SECBINFHSA-N 1 2 231.303 1.633 20 0 BDADLO CC[C@@H]1OCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000277559226 171151387 /nfs/dbraw/zinc/15/13/87/171151387.db2.gz VMHNDSOLCHBCOG-ZJUUUORDSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@](C)(CO)NC(=O)Nc1cc[nH+]cc1C ZINC000121710144 171168357 /nfs/dbraw/zinc/16/83/57/171168357.db2.gz XISHEYUHSPZPAQ-LBPRGKRZSA-N 1 2 237.303 1.673 20 0 BDADLO CC[C@@](C)([NH2+]Cc1ncc(C2CC2)o1)C(N)=O ZINC000340702237 171176230 /nfs/dbraw/zinc/17/62/30/171176230.db2.gz XPIQFHMUIKADAI-GFCCVEGCSA-N 1 2 237.303 1.296 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270375387 171242928 /nfs/dbraw/zinc/24/29/28/171242928.db2.gz ZYICPKQDECPYKM-MRVPVSSYSA-N 1 2 236.237 1.445 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270375387 171242930 /nfs/dbraw/zinc/24/29/30/171242930.db2.gz ZYICPKQDECPYKM-MRVPVSSYSA-N 1 2 236.237 1.445 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158051461 171245545 /nfs/dbraw/zinc/24/55/45/171245545.db2.gz XUZZMCMACDGRFB-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCc2cccc(F)c2C1 ZINC000158051461 171245547 /nfs/dbraw/zinc/24/55/47/171245547.db2.gz XUZZMCMACDGRFB-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@H](C)CCC(=O)NCCn1cc[nH+]c1 ZINC000285103688 171266820 /nfs/dbraw/zinc/26/68/20/171266820.db2.gz JLGTVWJGNSIPFD-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO CC[C@H](C)CCC(=O)NCc1[nH+]ccn1C ZINC000285533810 171267750 /nfs/dbraw/zinc/26/77/50/171267750.db2.gz HNUKFUUVOHOCND-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO CC[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363726527 171319823 /nfs/dbraw/zinc/31/98/23/171319823.db2.gz XMPLGADQBMMRTO-JTQLQIEISA-N 1 2 216.288 1.900 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356036540 171325537 /nfs/dbraw/zinc/32/55/37/171325537.db2.gz OQBSCSNTCZQBBI-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000356036540 171325538 /nfs/dbraw/zinc/32/55/38/171325538.db2.gz OQBSCSNTCZQBBI-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000179521922 171333422 /nfs/dbraw/zinc/33/34/22/171333422.db2.gz PZMQNQOWDATDAU-RYUDHWBXSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000179521922 171333424 /nfs/dbraw/zinc/33/34/24/171333424.db2.gz PZMQNQOWDATDAU-RYUDHWBXSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298145878 171349340 /nfs/dbraw/zinc/34/93/40/171349340.db2.gz DEGGSQDNYQZQGO-IUCAKERBSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298145878 171349342 /nfs/dbraw/zinc/34/93/42/171349342.db2.gz DEGGSQDNYQZQGO-IUCAKERBSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000299573312 171350094 /nfs/dbraw/zinc/35/00/94/171350094.db2.gz GCPGONPQNDGACD-VIFPVBQESA-N 1 2 220.320 1.675 20 0 BDADLO CC[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000299573312 171350096 /nfs/dbraw/zinc/35/00/96/171350096.db2.gz GCPGONPQNDGACD-VIFPVBQESA-N 1 2 220.320 1.675 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000189074547 171361408 /nfs/dbraw/zinc/36/14/08/171361408.db2.gz SIUOHABOHITJFE-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000189074547 171361409 /nfs/dbraw/zinc/36/14/09/171361409.db2.gz SIUOHABOHITJFE-VHSXEESVSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000355997526 171380517 /nfs/dbraw/zinc/38/05/17/171380517.db2.gz ZQPHBSMNWDUNIR-GXSJLCMTSA-N 1 2 239.319 1.130 20 0 BDADLO Cc1n[nH]c(C(F)F)c1NC(=O)C[NH2+]C(C)C ZINC000662543794 412210364 /nfs/dbraw/zinc/21/03/64/412210364.db2.gz ZYDVUGRPKRKFRJ-UHFFFAOYSA-N 1 2 246.261 1.592 20 0 BDADLO CC[C@H]1CCN1c1[nH+]cnc2c1cnn2C ZINC000292203702 171639511 /nfs/dbraw/zinc/63/95/11/171639511.db2.gz GTRGCTYDVJJOPG-QMMMGPOBSA-N 1 2 217.276 1.352 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NCCO)[nH+]1 ZINC000631030614 412322989 /nfs/dbraw/zinc/32/29/89/412322989.db2.gz SLEVJTKMBDKLQQ-UHFFFAOYSA-N 1 2 220.276 1.486 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000665474907 412332586 /nfs/dbraw/zinc/33/25/86/412332586.db2.gz ISWDIEZZIMMTGW-URLYPYJESA-N 1 2 233.315 1.425 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2C[C@H](C)S[C@@H](C)C2)[nH]1 ZINC000662987953 412362742 /nfs/dbraw/zinc/36/27/42/412362742.db2.gz ZFNGPQYLJPGOAR-CIUDSAMLSA-N 1 2 240.376 2.000 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)COCCOC ZINC000264972053 171926131 /nfs/dbraw/zinc/92/61/31/171926131.db2.gz DPUMQXPJLRQCMX-UHFFFAOYSA-N 1 2 238.287 1.246 20 0 BDADLO CCc1nc(C[N@H+](C)C2(CO)CC2)cs1 ZINC000285497365 171973118 /nfs/dbraw/zinc/97/31/18/171973118.db2.gz MMFHBVUQJFFHPY-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CCc1nc(C[N@@H+](C)C2(CO)CC2)cs1 ZINC000285497365 171973120 /nfs/dbraw/zinc/97/31/20/171973120.db2.gz MMFHBVUQJFFHPY-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ccn(C)n2)s1 ZINC000124724182 172019580 /nfs/dbraw/zinc/01/95/80/172019580.db2.gz CIUIVJAMLDSJBZ-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO CCc1ncc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000279150292 172020882 /nfs/dbraw/zinc/02/08/82/172020882.db2.gz HEMVIBYGANEQAR-UHFFFAOYSA-N 1 2 245.286 1.333 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000052102330 172048659 /nfs/dbraw/zinc/04/86/59/172048659.db2.gz SXUOYMOTONUTTD-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000052102330 172048662 /nfs/dbraw/zinc/04/86/62/172048662.db2.gz SXUOYMOTONUTTD-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@@H](CC)C2)o1 ZINC000331601773 172050880 /nfs/dbraw/zinc/05/08/80/172050880.db2.gz HTPFSTLXTRBDIS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@@H](CC)C2)o1 ZINC000331601773 172050881 /nfs/dbraw/zinc/05/08/81/172050881.db2.gz HTPFSTLXTRBDIS-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccn(C)c2)s1 ZINC000289972256 172052330 /nfs/dbraw/zinc/05/23/30/172052330.db2.gz ZASBAWKJKHANAB-UHFFFAOYSA-N 1 2 236.344 1.729 20 0 BDADLO CCc1nnc(C[NH2+][C@](C)(C(N)=O)C(C)C)o1 ZINC000330870718 172054377 /nfs/dbraw/zinc/05/43/77/172054377.db2.gz ZLPMVEWYVGSBTO-NSHDSACASA-N 1 2 240.307 1.672 20 0 BDADLO CCc1nnc(CNc2cc[nH+]c(C)n2)s1 ZINC000290631357 172054428 /nfs/dbraw/zinc/05/44/28/172054428.db2.gz HDNDTDAIUCLVBL-UHFFFAOYSA-N 1 2 235.316 1.811 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1ccnc(N)c1 ZINC000339609750 172094817 /nfs/dbraw/zinc/09/48/17/172094817.db2.gz RFUQOLLTQAVTKN-UHFFFAOYSA-N 1 2 246.314 1.677 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1ccnc(N)c1 ZINC000339609750 172094820 /nfs/dbraw/zinc/09/48/20/172094820.db2.gz RFUQOLLTQAVTKN-UHFFFAOYSA-N 1 2 246.314 1.677 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1c[nH]nc1C ZINC000293514996 172095636 /nfs/dbraw/zinc/09/56/36/172095636.db2.gz AMZNJWLFQFNZLP-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000293514996 172095641 /nfs/dbraw/zinc/09/56/41/172095641.db2.gz AMZNJWLFQFNZLP-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cccnc1N ZINC000296685023 172096351 /nfs/dbraw/zinc/09/63/51/172096351.db2.gz IUXRWXSULNFNKL-UHFFFAOYSA-N 1 2 246.314 1.846 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cccnc1N ZINC000296685023 172096353 /nfs/dbraw/zinc/09/63/53/172096353.db2.gz IUXRWXSULNFNKL-UHFFFAOYSA-N 1 2 246.314 1.846 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cnccc1OC ZINC000339408225 172101028 /nfs/dbraw/zinc/10/10/28/172101028.db2.gz RTPSHIAEPNSJDM-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO CCc1nsc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC000135982281 172102954 /nfs/dbraw/zinc/10/29/54/172102954.db2.gz HUMNLZYQWMCEES-UHFFFAOYSA-N 1 2 249.343 1.714 20 0 BDADLO CCc1occc1C(=O)NCc1[nH+]ccn1CC ZINC000295540613 172117411 /nfs/dbraw/zinc/11/74/11/172117411.db2.gz KRWNGLFOTRRKHG-UHFFFAOYSA-N 1 2 247.298 1.988 20 0 BDADLO CCc1onc(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000356835522 172124507 /nfs/dbraw/zinc/12/45/07/172124507.db2.gz UUEJGMDFYNMWHN-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1onc(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000356835522 172124509 /nfs/dbraw/zinc/12/45/09/172124509.db2.gz UUEJGMDFYNMWHN-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCn1cccc1C[N@H+](C)Cc1ccnn1C ZINC000353694189 172203147 /nfs/dbraw/zinc/20/31/47/172203147.db2.gz YDZYFLLKCKSFCS-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1cccc1C[N@@H+](C)Cc1ccnn1C ZINC000353694189 172203153 /nfs/dbraw/zinc/20/31/53/172203153.db2.gz YDZYFLLKCKSFCS-UHFFFAOYSA-N 1 2 232.331 1.874 20 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172236005 /nfs/dbraw/zinc/23/60/05/172236005.db2.gz HRHXEGCUVGGEBB-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccccc1F ZINC000218227611 172236986 /nfs/dbraw/zinc/23/69/86/172236986.db2.gz CBFPVMSEYNFLBI-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1nccc1CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000282967461 172258724 /nfs/dbraw/zinc/25/87/24/172258724.db2.gz DWKINGXKIDHGNG-LLVKDONJSA-N 1 2 235.331 1.356 20 0 BDADLO CCn1nccc1CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000282967461 172258727 /nfs/dbraw/zinc/25/87/27/172258727.db2.gz DWKINGXKIDHGNG-LLVKDONJSA-N 1 2 235.331 1.356 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000179863950 172266279 /nfs/dbraw/zinc/26/62/79/172266279.db2.gz HIEQGJIPKHUZSB-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H](C)C1 ZINC000179863950 172266281 /nfs/dbraw/zinc/26/62/81/172266281.db2.gz HIEQGJIPKHUZSB-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1nccc1C[NH2+]C(C)(C)c1nc(C)no1 ZINC000284187230 172269118 /nfs/dbraw/zinc/26/91/18/172269118.db2.gz YBPASKLBANOBKJ-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO CCn1nccc1NC(=O)CCn1cc[nH+]c1 ZINC000338010381 172274321 /nfs/dbraw/zinc/27/43/21/172274321.db2.gz XHIHKKMUAPOJEK-UHFFFAOYSA-N 1 2 233.275 1.128 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000359075468 172281528 /nfs/dbraw/zinc/28/15/28/172281528.db2.gz SOXPOVDOWXJHPA-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cccc(O)c1 ZINC000355593342 172281756 /nfs/dbraw/zinc/28/17/56/172281756.db2.gz BQWZIUZIEUWFBT-UHFFFAOYSA-N 1 2 232.287 1.293 20 0 BDADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000336447777 172325671 /nfs/dbraw/zinc/32/56/71/172325671.db2.gz ZLGRLCLYNBBMCB-VIFPVBQESA-N 1 2 232.274 1.385 20 0 BDADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000336447774 172332082 /nfs/dbraw/zinc/33/20/82/172332082.db2.gz ZLGRLCLYNBBMCB-SECBINFHSA-N 1 2 232.274 1.385 20 0 BDADLO CN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCOC1 ZINC000264551231 172341591 /nfs/dbraw/zinc/34/15/91/172341591.db2.gz VNLSZGDJYHBHGO-LLVKDONJSA-N 1 2 245.282 1.195 20 0 BDADLO CN(CCC1CC1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278508835 172685933 /nfs/dbraw/zinc/68/59/33/172685933.db2.gz XZVASPYDEKRTPC-UHFFFAOYSA-N 1 2 246.318 1.182 20 0 BDADLO CN(Cc1ccsc1)C[C@H]1CCC[NH2+]1 ZINC000035719409 172908635 /nfs/dbraw/zinc/90/86/35/172908635.db2.gz OOWJZWPDDCOLJQ-LLVKDONJSA-N 1 2 210.346 1.932 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(F)n1 ZINC000135356237 172931395 /nfs/dbraw/zinc/93/13/95/172931395.db2.gz MWYHIQJQLKXQAC-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO CN1CCC[N@H+](Cc2cnoc2C2CC2)CC1=O ZINC000364433496 173017830 /nfs/dbraw/zinc/01/78/30/173017830.db2.gz HZLILAWIJWECKL-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO CN1CCC[N@@H+](Cc2cnoc2C2CC2)CC1=O ZINC000364433496 173017831 /nfs/dbraw/zinc/01/78/31/173017831.db2.gz HZLILAWIJWECKL-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000333692363 173101573 /nfs/dbraw/zinc/10/15/73/173101573.db2.gz CPGUNDZMKGOEGH-SNVBAGLBSA-N 1 2 237.303 1.730 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000333692363 173101575 /nfs/dbraw/zinc/10/15/75/173101575.db2.gz CPGUNDZMKGOEGH-SNVBAGLBSA-N 1 2 237.303 1.730 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(CC3CCC3)no2)C1 ZINC000333817843 173101747 /nfs/dbraw/zinc/10/17/47/173101747.db2.gz GZBGKNGLTAJZDA-SNVBAGLBSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(CC3CCC3)no2)C1 ZINC000333817843 173101748 /nfs/dbraw/zinc/10/17/48/173101748.db2.gz GZBGKNGLTAJZDA-SNVBAGLBSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc([C@H]3CC3(C)C)no2)C1 ZINC000333626749 173102023 /nfs/dbraw/zinc/10/20/23/173102023.db2.gz FXFUJXVCOATUFF-RKDXNWHRSA-N 1 2 237.303 1.586 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc([C@H]3CC3(C)C)no2)C1 ZINC000333626749 173102025 /nfs/dbraw/zinc/10/20/25/173102025.db2.gz FXFUJXVCOATUFF-RKDXNWHRSA-N 1 2 237.303 1.586 20 0 BDADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2F)C1 ZINC000174363960 173107310 /nfs/dbraw/zinc/10/73/10/173107310.db2.gz AOIZVJIDEMDDIR-NSHDSACASA-N 1 2 238.262 1.095 20 0 BDADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2F)C1 ZINC000174363960 173107312 /nfs/dbraw/zinc/10/73/12/173107312.db2.gz AOIZVJIDEMDDIR-NSHDSACASA-N 1 2 238.262 1.095 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(CC3CCC3)no2)C1 ZINC000333817841 173108901 /nfs/dbraw/zinc/10/89/01/173108901.db2.gz GZBGKNGLTAJZDA-JTQLQIEISA-N 1 2 237.303 1.415 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(CC3CCC3)no2)C1 ZINC000333817841 173108904 /nfs/dbraw/zinc/10/89/04/173108904.db2.gz GZBGKNGLTAJZDA-JTQLQIEISA-N 1 2 237.303 1.415 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(F)F)C1 ZINC000365389008 173201402 /nfs/dbraw/zinc/20/14/02/173201402.db2.gz IUBMMDSNTSGQIT-JTQLQIEISA-N 1 2 240.253 1.554 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(F)F)C1 ZINC000365389008 173201404 /nfs/dbraw/zinc/20/14/04/173201404.db2.gz IUBMMDSNTSGQIT-JTQLQIEISA-N 1 2 240.253 1.554 20 0 BDADLO CNC(=O)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000266192695 173222797 /nfs/dbraw/zinc/22/27/97/173222797.db2.gz CAZZUSIERMTUCY-UHFFFAOYSA-N 1 2 248.330 1.502 20 0 BDADLO CNC(=O)CC[N@H+](C)Cc1csc(Cl)n1 ZINC000290055790 173249442 /nfs/dbraw/zinc/24/94/42/173249442.db2.gz PAKARJJDJQAGGP-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CNC(=O)CC[N@@H+](C)Cc1csc(Cl)n1 ZINC000290055790 173249444 /nfs/dbraw/zinc/24/94/44/173249444.db2.gz PAKARJJDJQAGGP-UHFFFAOYSA-N 1 2 247.751 1.364 20 0 BDADLO CNC(=O)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000172015010 173250140 /nfs/dbraw/zinc/25/01/40/173250140.db2.gz PQASVPHEGBBUHW-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO CNC(=O)CCNc1cc[nH+]c2ccncc12 ZINC000271674293 173262154 /nfs/dbraw/zinc/26/21/54/173262154.db2.gz XTIRGTFPMBEMNF-UHFFFAOYSA-N 1 2 230.271 1.178 20 0 BDADLO CNC(=O)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000337594192 173271499 /nfs/dbraw/zinc/27/14/99/173271499.db2.gz ZYFDXUPEULRONE-UHFFFAOYSA-N 1 2 236.319 1.091 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148196 173275389 /nfs/dbraw/zinc/27/53/89/173275389.db2.gz AZXXINFEIVCADH-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148196 173275390 /nfs/dbraw/zinc/27/53/90/173275390.db2.gz AZXXINFEIVCADH-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309466 173283241 /nfs/dbraw/zinc/28/32/41/173283241.db2.gz WNPBCARXQHUDQO-QMMMGPOBSA-N 1 2 239.344 1.740 20 0 BDADLO CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000336478994 173300002 /nfs/dbraw/zinc/30/00/02/173300002.db2.gz KUBPAMPBTJMTOS-MRVPVSSYSA-N 1 2 221.304 1.384 20 0 BDADLO CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000336478994 173300003 /nfs/dbraw/zinc/30/00/03/173300003.db2.gz KUBPAMPBTJMTOS-MRVPVSSYSA-N 1 2 221.304 1.384 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000292367818 173303922 /nfs/dbraw/zinc/30/39/22/173303922.db2.gz RTWZCAKNJRFSDE-QMMMGPOBSA-N 1 2 234.303 1.209 20 0 BDADLO C[NH2+]Cc1noc(C2=CC[C@H](C)CC2)n1 ZINC000333938186 173399406 /nfs/dbraw/zinc/39/94/06/173399406.db2.gz MDLUCRSFMWCEJK-QMMMGPOBSA-N 1 2 207.277 1.992 20 0 BDADLO COC(=O)COC[C@@H](C)Nc1c[nH+]cc(C)c1 ZINC000295673402 173613612 /nfs/dbraw/zinc/61/36/12/173613612.db2.gz KJGANKULENBEPX-SNVBAGLBSA-N 1 2 238.287 1.380 20 0 BDADLO COC(=O)[C@@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000112555092 173676672 /nfs/dbraw/zinc/67/66/72/173676672.db2.gz VQQUQUPDLOACPV-QMMMGPOBSA-N 1 2 235.287 1.575 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1nccs1 ZINC000157921665 173776827 /nfs/dbraw/zinc/77/68/27/173776827.db2.gz XLPSOSMDBJQEDK-QMMMGPOBSA-N 1 2 228.317 1.179 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1nccs1 ZINC000157921665 173776830 /nfs/dbraw/zinc/77/68/30/173776830.db2.gz XLPSOSMDBJQEDK-QMMMGPOBSA-N 1 2 228.317 1.179 20 0 BDADLO COC1(c2nc(Cc3c[nH+]cn3C)no2)CCC1 ZINC000357955269 174010914 /nfs/dbraw/zinc/01/09/14/174010914.db2.gz WSERXKDCRHQTRG-UHFFFAOYSA-N 1 2 248.286 1.420 20 0 BDADLO COC1C[NH+](Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000336720036 174035062 /nfs/dbraw/zinc/03/50/62/174035062.db2.gz WFHQDKIQNYUBIT-UHFFFAOYSA-N 1 2 246.314 1.107 20 0 BDADLO COC1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000358216333 174036213 /nfs/dbraw/zinc/03/62/13/174036213.db2.gz WALYNUJMGYFEIJ-UHFFFAOYSA-N 1 2 205.261 1.189 20 0 BDADLO COCC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000287051864 174062975 /nfs/dbraw/zinc/06/29/75/174062975.db2.gz SRFVLRHBCHXHQZ-UHFFFAOYSA-N 1 2 239.271 1.558 20 0 BDADLO COCC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000293751773 174070181 /nfs/dbraw/zinc/07/01/81/174070181.db2.gz PGCJLEMLLOTECZ-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO COCC1(C)CC[NH+](Cc2csnn2)CC1 ZINC000354778259 174092663 /nfs/dbraw/zinc/09/26/63/174092663.db2.gz ZKQQFGJSNNBIDY-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO COCC1(O)C[NH+](Cc2ccsc2C)C1 ZINC000297647264 174113857 /nfs/dbraw/zinc/11/38/57/174113857.db2.gz XWCJOXHBGOFNMO-UHFFFAOYSA-N 1 2 227.329 1.250 20 0 BDADLO COCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171404649 174123080 /nfs/dbraw/zinc/12/30/80/174123080.db2.gz ASJGSLGARGUMES-SNVBAGLBSA-N 1 2 237.303 1.500 20 0 BDADLO COCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169811811 174123287 /nfs/dbraw/zinc/12/32/87/174123287.db2.gz GGLIUGCOFKMWTK-UHFFFAOYSA-N 1 2 237.303 1.152 20 0 BDADLO COCCC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000290935355 174150365 /nfs/dbraw/zinc/15/03/65/174150365.db2.gz NHRZYTGLVASTCM-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO COCCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276714879 174167094 /nfs/dbraw/zinc/16/70/94/174167094.db2.gz ZZRNGDDWBJAXNP-NSHDSACASA-N 1 2 239.319 1.650 20 0 BDADLO COCCCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301767399 174220888 /nfs/dbraw/zinc/22/08/88/174220888.db2.gz DJZDZQPAQOFAHN-UHFFFAOYSA-N 1 2 246.314 1.685 20 0 BDADLO COCCC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000330827490 174228739 /nfs/dbraw/zinc/22/87/39/174228739.db2.gz JADXXHCGSRQXQB-VIFPVBQESA-N 1 2 240.307 1.074 20 0 BDADLO COCCC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000330827490 174228740 /nfs/dbraw/zinc/22/87/40/174228740.db2.gz JADXXHCGSRQXQB-VIFPVBQESA-N 1 2 240.307 1.074 20 0 BDADLO COCCCNc1nc[nH+]c(N)c1Cl ZINC000227840751 174252927 /nfs/dbraw/zinc/25/29/27/174252927.db2.gz YETNXDMKHXHMSV-UHFFFAOYSA-N 1 2 216.672 1.161 20 0 BDADLO COCCCNc1[nH+]cnc(N)c1Cl ZINC000227840751 174252931 /nfs/dbraw/zinc/25/29/31/174252931.db2.gz YETNXDMKHXHMSV-UHFFFAOYSA-N 1 2 216.672 1.161 20 0 BDADLO COCCCOCC[N@H+](C)Cc1cocn1 ZINC000191974105 174255494 /nfs/dbraw/zinc/25/54/94/174255494.db2.gz OHNNJWQIQBWMQL-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1cocn1 ZINC000191974105 174255495 /nfs/dbraw/zinc/25/54/95/174255495.db2.gz OHNNJWQIQBWMQL-UHFFFAOYSA-N 1 2 228.292 1.160 20 0 BDADLO COCCCSc1nc(N)cc(C)[nH+]1 ZINC000071918039 174259513 /nfs/dbraw/zinc/25/95/13/174259513.db2.gz SORMWTVUWYUFCD-UHFFFAOYSA-N 1 2 213.306 1.496 20 0 BDADLO COCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000117874038 174282270 /nfs/dbraw/zinc/28/22/70/174282270.db2.gz IJZUAUROXWSPDG-GFCCVEGCSA-N 1 2 237.299 1.479 20 0 BDADLO COCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000117874038 174282272 /nfs/dbraw/zinc/28/22/72/174282272.db2.gz IJZUAUROXWSPDG-GFCCVEGCSA-N 1 2 237.299 1.479 20 0 BDADLO COCCN(C)c1nc(C)[nH+]c(C)c1C ZINC000301692405 174284015 /nfs/dbraw/zinc/28/40/15/174284015.db2.gz OFINIESQOISIRH-UHFFFAOYSA-N 1 2 209.293 1.484 20 0 BDADLO COCC[N@H+](CCC[C@H](C)O)CC(F)F ZINC000354881916 174290500 /nfs/dbraw/zinc/29/05/00/174290500.db2.gz QFUMTBAXGITUFG-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO COCC[N@@H+](CCC[C@H](C)O)CC(F)F ZINC000354881916 174290501 /nfs/dbraw/zinc/29/05/01/174290501.db2.gz QFUMTBAXGITUFG-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO COCC[N@@H+](Cc1cn[nH]c1C)CC(C)C ZINC000092564001 174297044 /nfs/dbraw/zinc/29/70/44/174297044.db2.gz WHWHPPHBEUONGA-UHFFFAOYSA-N 1 2 225.336 1.823 20 0 BDADLO COCC[N@H+](Cc1cn[nH]c1C)CC(C)C ZINC000092564001 174297046 /nfs/dbraw/zinc/29/70/46/174297046.db2.gz WHWHPPHBEUONGA-UHFFFAOYSA-N 1 2 225.336 1.823 20 0 BDADLO COCC[N@H+](Cc1nccn1C)C1CC1 ZINC000336650461 174303003 /nfs/dbraw/zinc/30/30/03/174303003.db2.gz SWKDPDRSUZRZFJ-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC[N@@H+](Cc1nccn1C)C1CC1 ZINC000336650461 174303004 /nfs/dbraw/zinc/30/30/04/174303004.db2.gz SWKDPDRSUZRZFJ-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO COCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340177833 174337773 /nfs/dbraw/zinc/33/77/73/174337773.db2.gz JPWJARVOROHLEB-SECBINFHSA-N 1 2 238.316 1.192 20 0 BDADLO COCCOCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353173107 174353557 /nfs/dbraw/zinc/35/35/57/174353557.db2.gz OJOYRHDYQMMEMM-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO COCCOCC[N@H+]1CCC[C@H]1C(F)F ZINC000353173107 174353559 /nfs/dbraw/zinc/35/35/59/174353559.db2.gz OJOYRHDYQMMEMM-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1cncs1 ZINC000291327798 174398892 /nfs/dbraw/zinc/39/88/92/174398892.db2.gz UGSISANLLKCYEX-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1cncs1 ZINC000291327798 174398893 /nfs/dbraw/zinc/39/88/93/174398893.db2.gz UGSISANLLKCYEX-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COc1ccc(-c2noc([C@H]([NH3+])[C@@H](C)O)n2)cc1 ZINC000035660441 175042978 /nfs/dbraw/zinc/04/29/78/175042978.db2.gz WPFBHXIIOBYUHX-GMSGAONNSA-N 1 2 249.270 1.126 20 0 BDADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nnc[nH]1 ZINC000037919272 175081453 /nfs/dbraw/zinc/08/14/53/175081453.db2.gz CDTFDPGBDMDROK-JTQLQIEISA-N 1 2 246.314 1.973 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)nc1 ZINC000338269950 175101213 /nfs/dbraw/zinc/10/12/13/175101213.db2.gz IVNDTFLYBULCSZ-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)nc1 ZINC000338269950 175101214 /nfs/dbraw/zinc/10/12/14/175101214.db2.gz IVNDTFLYBULCSZ-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000339588736 175101734 /nfs/dbraw/zinc/10/17/34/175101734.db2.gz ZYLFBFSPFNQIKX-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000339588736 175101736 /nfs/dbraw/zinc/10/17/36/175101736.db2.gz ZYLFBFSPFNQIKX-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ccc(N(C#N)Cc2[nH+]ccn2C)cc1 ZINC000358540131 175135545 /nfs/dbraw/zinc/13/55/45/175135545.db2.gz JSJXCXWWUKPEPE-UHFFFAOYSA-N 1 2 242.282 1.916 20 0 BDADLO COc1cccc(CNc2cc[nH+]c(C)n2)n1 ZINC000360994913 175261680 /nfs/dbraw/zinc/26/16/80/175261680.db2.gz GVFFRINMGSEGOE-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO F[C@@H]1CCCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668292393 487630220 /nfs/dbraw/zinc/63/02/20/487630220.db2.gz GDRXYEKQYYXJAZ-SNVBAGLBSA-N 1 2 223.295 1.763 20 0 BDADLO COc1cccc([C@@H]2C[N@H+](CCO)CCO2)c1 ZINC000119002990 175291223 /nfs/dbraw/zinc/29/12/23/175291223.db2.gz FSACMXPDVCZPTJ-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO COc1cccc([C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC000119002990 175291224 /nfs/dbraw/zinc/29/12/24/175291224.db2.gz FSACMXPDVCZPTJ-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO COc1cccc2c1CC[N@H+](Cc1cc[nH]n1)C2 ZINC000180787433 175300906 /nfs/dbraw/zinc/30/09/06/175300906.db2.gz NKTCROIVDCHIGS-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1cccc2c1CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000180787433 175300909 /nfs/dbraw/zinc/30/09/09/175300909.db2.gz NKTCROIVDCHIGS-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccccc1[C@@H](C)[NH2+]Cc1ncnn1C ZINC000149297174 175346385 /nfs/dbraw/zinc/34/63/85/175346385.db2.gz DHRYKBFKDKKODA-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COc1cc[nH+]c(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000106859311 175360160 /nfs/dbraw/zinc/36/01/60/175360160.db2.gz QIRUUYMJAVMJJN-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000106859311 175360163 /nfs/dbraw/zinc/36/01/63/175360163.db2.gz QIRUUYMJAVMJJN-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000106859311 175360164 /nfs/dbraw/zinc/36/01/64/175360164.db2.gz QIRUUYMJAVMJJN-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]c(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000106933404 175360507 /nfs/dbraw/zinc/36/05/07/175360507.db2.gz XCUOHYOUYQZZQA-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000106933404 175360508 /nfs/dbraw/zinc/36/05/08/175360508.db2.gz XCUOHYOUYQZZQA-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000106933404 175360509 /nfs/dbraw/zinc/36/05/09/175360509.db2.gz XCUOHYOUYQZZQA-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000374782925 175362632 /nfs/dbraw/zinc/36/26/32/175362632.db2.gz PYPHCQFYURYUDU-SECBINFHSA-N 1 2 245.286 1.550 20 0 BDADLO COc1ccnc(NCCc2[nH+]cccc2C)n1 ZINC000295820299 175364367 /nfs/dbraw/zinc/36/43/67/175364367.db2.gz VCMLALONGLCEOE-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1ccnc(NCCc2ccc(C)[nH+]c2)n1 ZINC000301269660 175364384 /nfs/dbraw/zinc/36/43/84/175364384.db2.gz XLCXSAUCVULHAD-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CC(C)C ZINC000293405114 175369496 /nfs/dbraw/zinc/36/94/96/175369496.db2.gz QEECXEZSAGUXRB-UHFFFAOYSA-N 1 2 222.288 1.753 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N(C)C1CCC1 ZINC000297871382 175369566 /nfs/dbraw/zinc/36/95/66/175369566.db2.gz GHOWIOJYAZURNS-UHFFFAOYSA-N 1 2 249.314 1.784 20 0 BDADLO COc1ccncc1C[N@@H+]1CC[C@@H](F)C1 ZINC000336262941 175369941 /nfs/dbraw/zinc/36/99/41/175369941.db2.gz JMIWQECHMWQWGT-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccncc1C[N@H+]1CC[C@@H](F)C1 ZINC000336262941 175369943 /nfs/dbraw/zinc/36/99/43/175369943.db2.gz JMIWQECHMWQWGT-SNVBAGLBSA-N 1 2 210.252 1.634 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000287357392 175370248 /nfs/dbraw/zinc/37/02/48/175370248.db2.gz PMOYHGZZZNXXBF-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000287357392 175370251 /nfs/dbraw/zinc/37/02/51/175370251.db2.gz PMOYHGZZZNXXBF-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000287653105 175370313 /nfs/dbraw/zinc/37/03/13/175370313.db2.gz GTNLIZLBXORIKE-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000287653105 175370316 /nfs/dbraw/zinc/37/03/16/175370316.db2.gz GTNLIZLBXORIKE-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000287357397 175370362 /nfs/dbraw/zinc/37/03/62/175370362.db2.gz PMOYHGZZZNXXBF-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000287357397 175370364 /nfs/dbraw/zinc/37/03/64/175370364.db2.gz PMOYHGZZZNXXBF-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1CCC1 ZINC000288809279 175373329 /nfs/dbraw/zinc/37/33/29/175373329.db2.gz UHEYOJHYRCQOMY-UHFFFAOYSA-N 1 2 221.256 1.934 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC(C)(C)OC ZINC000278283801 175374587 /nfs/dbraw/zinc/37/45/87/175374587.db2.gz QNLMKQJEMARXHR-UHFFFAOYSA-N 1 2 238.287 1.844 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1=COCCC1 ZINC000107467885 175375547 /nfs/dbraw/zinc/37/55/47/175375547.db2.gz YMMDTGMHSNMIDF-UHFFFAOYSA-N 1 2 234.255 1.723 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccnn1C ZINC000123747475 175376375 /nfs/dbraw/zinc/37/63/75/175376375.db2.gz VBBSQKCACOUNTM-UHFFFAOYSA-N 1 2 232.243 1.076 20 0 BDADLO COc1cncc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000330843285 175385655 /nfs/dbraw/zinc/38/56/55/175385655.db2.gz MWLSBELZHOBIEC-NSHDSACASA-N 1 2 235.287 1.590 20 0 BDADLO COc1cncc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000330843285 175385657 /nfs/dbraw/zinc/38/56/57/175385657.db2.gz MWLSBELZHOBIEC-NSHDSACASA-N 1 2 235.287 1.590 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000289446225 175385865 /nfs/dbraw/zinc/38/58/65/175385865.db2.gz OSXNISVUXZZTOQ-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000289446225 175385867 /nfs/dbraw/zinc/38/58/67/175385867.db2.gz OSXNISVUXZZTOQ-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1ncc(C[NH+]2CCSCC2)c(C)n1 ZINC000337129353 175399055 /nfs/dbraw/zinc/39/90/55/175399055.db2.gz IMISBAKMTXTZQW-UHFFFAOYSA-N 1 2 239.344 1.342 20 0 BDADLO C[C@@H](O)C1CC[NH+](Cc2cnns2)CC1 ZINC000336699978 175945768 /nfs/dbraw/zinc/94/57/68/175945768.db2.gz PDSCZUPPCJYOAY-MRVPVSSYSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H](NC(=O)C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000355129571 176010818 /nfs/dbraw/zinc/01/08/18/176010818.db2.gz FLSVDPYSDWNJFH-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCN(C)C(=O)C1 ZINC000119271763 176015746 /nfs/dbraw/zinc/01/57/46/176015746.db2.gz SRKVSDFFZPUQCU-JTQLQIEISA-N 1 2 236.290 1.661 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCN(C)C(=O)C1 ZINC000119271763 176015747 /nfs/dbraw/zinc/01/57/47/176015747.db2.gz SRKVSDFFZPUQCU-JTQLQIEISA-N 1 2 236.290 1.661 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(C)C ZINC000075638890 176028904 /nfs/dbraw/zinc/02/89/04/176028904.db2.gz STFIGJKHHSFRPY-JTQLQIEISA-N 1 2 221.304 1.163 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)C ZINC000075638890 176028905 /nfs/dbraw/zinc/02/89/05/176028905.db2.gz STFIGJKHHSFRPY-JTQLQIEISA-N 1 2 221.304 1.163 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NC1CC1 ZINC000127884626 176029113 /nfs/dbraw/zinc/02/91/13/176029113.db2.gz BQKMTHPSPOZSCG-JTQLQIEISA-N 1 2 233.315 1.353 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127884626 176029114 /nfs/dbraw/zinc/02/91/14/176029114.db2.gz BQKMTHPSPOZSCG-JTQLQIEISA-N 1 2 233.315 1.353 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCOC2(CCC2)C1 ZINC000184704175 176037169 /nfs/dbraw/zinc/03/71/69/176037169.db2.gz TWAJYSYMUFWXMZ-NSHDSACASA-N 1 2 233.315 1.793 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCOC2(CCC2)C1 ZINC000184704175 176037171 /nfs/dbraw/zinc/03/71/71/176037171.db2.gz TWAJYSYMUFWXMZ-NSHDSACASA-N 1 2 233.315 1.793 20 0 BDADLO C[C@@H]1CCCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340926357 176062924 /nfs/dbraw/zinc/06/29/24/176062924.db2.gz SBQAUQFXZIZEON-MRVPVSSYSA-N 1 2 210.281 1.275 20 0 BDADLO C[C@@H]1CCCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340926357 176062928 /nfs/dbraw/zinc/06/29/28/176062928.db2.gz SBQAUQFXZIZEON-MRVPVSSYSA-N 1 2 210.281 1.275 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377463640 176067335 /nfs/dbraw/zinc/06/73/35/176067335.db2.gz GOXJQZSVMAKEQO-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000076829995 176077647 /nfs/dbraw/zinc/07/76/47/176077647.db2.gz KQFIUDCMISPVNG-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1CCCN1c1nc[nH+]c(N)c1Cl ZINC000235263501 176112043 /nfs/dbraw/zinc/11/20/43/176112043.db2.gz OXBWSTHZLGRIIQ-ZCFIWIBFSA-N 1 2 212.684 1.701 20 0 BDADLO C[C@@H]1CCCN1c1[nH+]cnc(N)c1Cl ZINC000235263501 176112044 /nfs/dbraw/zinc/11/20/44/176112044.db2.gz OXBWSTHZLGRIIQ-ZCFIWIBFSA-N 1 2 212.684 1.701 20 0 BDADLO C[C@@H]1CCC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278136749 176151402 /nfs/dbraw/zinc/15/14/02/176151402.db2.gz AHDJIDRUOASCCY-VXNVDRBHSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000263761739 176156925 /nfs/dbraw/zinc/15/69/25/176156925.db2.gz KMIBQIGBLWJIFR-LLVKDONJSA-N 1 2 243.310 1.745 20 0 BDADLO C[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000263754000 176157759 /nfs/dbraw/zinc/15/77/59/176157759.db2.gz VBKXUKQIHDMJBH-LLVKDONJSA-N 1 2 236.319 1.325 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C)n2)[C@@H](C(N)=O)C1 ZINC000336415957 176175642 /nfs/dbraw/zinc/17/56/42/176175642.db2.gz UUYAKHGZVQKXAD-MWLCHTKSSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)[C@@H](C(N)=O)C1 ZINC000336415957 176175643 /nfs/dbraw/zinc/17/56/43/176175643.db2.gz UUYAKHGZVQKXAD-MWLCHTKSSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccnc2)CC[S@@]1=O ZINC000277227357 176176197 /nfs/dbraw/zinc/17/61/97/176176197.db2.gz OLGSRRLNGMTCOE-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccnc2)CC[S@@]1=O ZINC000277227357 176176198 /nfs/dbraw/zinc/17/61/98/176176198.db2.gz OLGSRRLNGMTCOE-BZNIZROVSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000336681934 176209856 /nfs/dbraw/zinc/20/98/56/176209856.db2.gz YHCRLBBARUMHOL-GHMZBOCLSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)c2nccs2)[C@@H]1C ZINC000293382616 176283040 /nfs/dbraw/zinc/28/30/40/176283040.db2.gz JZWKLSCXEKTWDJ-RKDXNWHRSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2nccs2)[C@@H]1C ZINC000293382616 176283043 /nfs/dbraw/zinc/28/30/43/176283043.db2.gz JZWKLSCXEKTWDJ-RKDXNWHRSA-N 1 2 239.344 1.446 20 0 BDADLO C[C@@H]1C[NH+](C[C@@](C)(O)C(F)(F)F)C[C@@H](C)O1 ZINC000309797469 176299521 /nfs/dbraw/zinc/29/95/21/176299521.db2.gz VQTOUKRAGMINCX-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2)CC(=O)N1C ZINC000282097541 176306282 /nfs/dbraw/zinc/30/62/82/176306282.db2.gz ILZOUWIBXLDXFR-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC(=O)N1C ZINC000282097541 176306284 /nfs/dbraw/zinc/30/62/84/176306284.db2.gz ILZOUWIBXLDXFR-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccs2)CC(=O)N1C ZINC000282013305 176308199 /nfs/dbraw/zinc/30/81/99/176308199.db2.gz DPSILYRUSFNXFJ-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccs2)CC(=O)N1C ZINC000282013305 176308201 /nfs/dbraw/zinc/30/82/01/176308201.db2.gz DPSILYRUSFNXFJ-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc(F)c2)[C@H](C)CO1 ZINC000275117190 176311012 /nfs/dbraw/zinc/31/10/12/176311012.db2.gz ICOCWXKBBNTHHK-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc(F)c2)[C@H](C)CO1 ZINC000275117190 176311014 /nfs/dbraw/zinc/31/10/14/176311014.db2.gz ICOCWXKBBNTHHK-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)[C@@H]1C ZINC000293196635 176311712 /nfs/dbraw/zinc/31/17/12/176311712.db2.gz XLLWFXCDLGFGJJ-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)[C@@H]1C ZINC000293196635 176311714 /nfs/dbraw/zinc/31/17/14/176311714.db2.gz XLLWFXCDLGFGJJ-HTQZYQBOSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000371496004 176384465 /nfs/dbraw/zinc/38/44/65/176384465.db2.gz WHJTUTKEHGXXCI-PWSUYJOCSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366562864 176386938 /nfs/dbraw/zinc/38/69/38/176386938.db2.gz AIXGFEJNPOELGL-HLTSFMKQSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366562864 176386939 /nfs/dbraw/zinc/38/69/39/176386939.db2.gz AIXGFEJNPOELGL-HLTSFMKQSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000157502133 177002523 /nfs/dbraw/zinc/00/25/23/177002523.db2.gz LFFJKQHZKZVSEN-AAEUAGOBSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccncc1 ZINC000157502133 177002525 /nfs/dbraw/zinc/00/25/25/177002525.db2.gz LFFJKQHZKZVSEN-AAEUAGOBSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000042267962 177003329 /nfs/dbraw/zinc/00/33/29/177003329.db2.gz SWBJRVBQKYKZDG-JTQLQIEISA-N 1 2 202.257 1.931 20 0 BDADLO C[C@H](O)[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283076239 177014165 /nfs/dbraw/zinc/01/41/65/177014165.db2.gz KTOOICLPCBQVKP-SKNSLPIRSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCN(C)C(=O)C1 ZINC000119249533 177036744 /nfs/dbraw/zinc/03/67/44/177036744.db2.gz QFXBVTFHHAVXEG-SNVBAGLBSA-N 1 2 236.290 1.661 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@H+]1CCN(C)C(=O)C1 ZINC000119249533 177036746 /nfs/dbraw/zinc/03/67/46/177036746.db2.gz QFXBVTFHHAVXEG-SNVBAGLBSA-N 1 2 236.290 1.661 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)NC1CC1 ZINC000128113045 177042241 /nfs/dbraw/zinc/04/22/41/177042241.db2.gz PONWIIWWPLMWCP-SNVBAGLBSA-N 1 2 233.315 1.353 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)NC1CC1 ZINC000128113045 177042244 /nfs/dbraw/zinc/04/22/44/177042244.db2.gz PONWIIWWPLMWCP-SNVBAGLBSA-N 1 2 233.315 1.353 20 0 BDADLO C[C@H](c1nc(Cc2c[nH+]cn2C)no1)C1CC1 ZINC000329743438 177053111 /nfs/dbraw/zinc/05/31/11/177053111.db2.gz XEOBSHBCMSYGGY-QMMMGPOBSA-N 1 2 232.287 1.907 20 0 BDADLO C[C@H]1CC(NC(=O)c2ccc3[nH+]ccn3c2)=NO1 ZINC000270719875 177065244 /nfs/dbraw/zinc/06/52/44/177065244.db2.gz BIAQKNXHZXMTAQ-QMMMGPOBSA-N 1 2 244.254 1.186 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000074727034 177091982 /nfs/dbraw/zinc/09/19/82/177091982.db2.gz GKRFHCSNUZIGIU-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000074727034 177091985 /nfs/dbraw/zinc/09/19/85/177091985.db2.gz GKRFHCSNUZIGIU-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119114952 177107605 /nfs/dbraw/zinc/10/76/05/177107605.db2.gz NLRMUZCNBILPMT-WDEREUQCSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000339520397 177124107 /nfs/dbraw/zinc/12/41/07/177124107.db2.gz XGKKRXQIQVJZOA-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CCC[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000185886530 177140049 /nfs/dbraw/zinc/14/00/49/177140049.db2.gz KELIOBHSXLSJFP-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CCN(C(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000127856440 177148883 /nfs/dbraw/zinc/14/88/83/177148883.db2.gz BUVZOLVHHJOGEH-QWRGUYRKSA-N 1 2 236.319 1.448 20 0 BDADLO C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H]1C ZINC000176949216 177149266 /nfs/dbraw/zinc/14/92/66/177149266.db2.gz URHQCCNLVIDTON-QWRGUYRKSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000176949186 177149305 /nfs/dbraw/zinc/14/93/05/177149305.db2.gz URHQCCNLVIDTON-WDEREUQCSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@H]1CCN(C(=O)NCCNc2cccc[nH+]2)C1 ZINC000336956855 177149391 /nfs/dbraw/zinc/14/93/91/177149391.db2.gz ZYCMIRDTCTYEMY-NSHDSACASA-N 1 2 248.330 1.545 20 0 BDADLO C[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)[C@H]1C ZINC000267751260 177150614 /nfs/dbraw/zinc/15/06/14/177150614.db2.gz PDWCYDGNRWRGPB-UWVGGRQHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336652062 177168866 /nfs/dbraw/zinc/16/88/66/177168866.db2.gz WFSWEQNQSXSROR-QMMMGPOBSA-N 1 2 226.349 1.446 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000336652062 177168868 /nfs/dbraw/zinc/16/88/68/177168868.db2.gz WFSWEQNQSXSROR-QMMMGPOBSA-N 1 2 226.349 1.446 20 0 BDADLO C[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000277423494 177171457 /nfs/dbraw/zinc/17/14/57/177171457.db2.gz LHPOXZFHTHEGTJ-NSHDSACASA-N 1 2 232.331 1.923 20 0 BDADLO C[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000277423494 177171459 /nfs/dbraw/zinc/17/14/59/177171459.db2.gz LHPOXZFHTHEGTJ-NSHDSACASA-N 1 2 232.331 1.923 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@@H]1CO ZINC000189862705 177171737 /nfs/dbraw/zinc/17/17/37/177171737.db2.gz IEYYDBJMGVBZLR-GXSJLCMTSA-N 1 2 233.315 1.561 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1cscn1 ZINC000367665628 177176958 /nfs/dbraw/zinc/17/69/58/177176958.db2.gz UUCQXYKINAFMDB-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1cscn1 ZINC000367665628 177176959 /nfs/dbraw/zinc/17/69/59/177176959.db2.gz UUCQXYKINAFMDB-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336386651 177196674 /nfs/dbraw/zinc/19/66/74/177196674.db2.gz OQOXHVAHXBTJDR-QWRGUYRKSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(O)c2)[C@@H](C)CN1C ZINC000336545050 177239021 /nfs/dbraw/zinc/23/90/21/177239021.db2.gz UZYUSMRSADSGDX-NEPJUHHUSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)[C@@H](C)CN1C ZINC000336545050 177239023 /nfs/dbraw/zinc/23/90/23/177239023.db2.gz UZYUSMRSADSGDX-NEPJUHHUSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cocn1 ZINC000271945403 177242236 /nfs/dbraw/zinc/24/22/36/177242236.db2.gz ARSVDZINSQAXMT-CABZTGNLSA-N 1 2 221.304 1.247 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(Cl)cnn2C)CC[C@@H]1O ZINC000336349189 177261146 /nfs/dbraw/zinc/26/11/46/177261146.db2.gz ZWTGFJJYHQXPFY-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(Cl)cnn2C)CC[C@@H]1O ZINC000336349189 177261148 /nfs/dbraw/zinc/26/11/48/177261148.db2.gz ZWTGFJJYHQXPFY-KWQFWETISA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1C[NH+](Cc2ccn(C)c2)C[C@H](C)S1=O ZINC000336628114 177268047 /nfs/dbraw/zinc/26/80/47/177268047.db2.gz RHNOSSANGIUYGM-QWRGUYRKSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@H](C2CC2)O1 ZINC000279217928 177268302 /nfs/dbraw/zinc/26/83/02/177268302.db2.gz CONUWPZWZBKVEU-JOYOIKCWSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@H](C2CC2)O1 ZINC000279217928 177268303 /nfs/dbraw/zinc/26/83/03/177268303.db2.gz CONUWPZWZBKVEU-JOYOIKCWSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncs2)CC[S@@](=O)C1 ZINC000277392807 177269116 /nfs/dbraw/zinc/26/91/16/177269116.db2.gz HCEYTHUZUHEFBV-BJOHPYRUSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncs2)CC[S@@](=O)C1 ZINC000277392807 177269119 /nfs/dbraw/zinc/26/91/19/177269119.db2.gz HCEYTHUZUHEFBV-BJOHPYRUSA-N 1 2 244.385 1.344 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(N(C)C)s2)CCO1 ZINC000271019925 177269898 /nfs/dbraw/zinc/26/98/98/177269898.db2.gz AQVZWGDIYDMNTK-VIFPVBQESA-N 1 2 241.360 1.430 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(N(C)C)s2)CCO1 ZINC000271019925 177269900 /nfs/dbraw/zinc/26/99/00/177269900.db2.gz AQVZWGDIYDMNTK-VIFPVBQESA-N 1 2 241.360 1.430 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000336318752 177270799 /nfs/dbraw/zinc/27/07/99/177270799.db2.gz WUPBIMGWNHXWOW-DTWKUNHWSA-N 1 2 222.336 1.942 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000336318752 177270800 /nfs/dbraw/zinc/27/08/00/177270800.db2.gz WUPBIMGWNHXWOW-DTWKUNHWSA-N 1 2 222.336 1.942 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000299586954 177271709 /nfs/dbraw/zinc/27/17/09/177271709.db2.gz VXDJZHLHRVHAKI-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000180950551 177272515 /nfs/dbraw/zinc/27/25/15/177272515.db2.gz NNABYRYVZCPIJL-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccn(C)n1 ZINC000336453037 177287032 /nfs/dbraw/zinc/28/70/32/177287032.db2.gz NQYGZTRGSXCMGK-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccn(C)n1 ZINC000336453037 177287033 /nfs/dbraw/zinc/28/70/33/177287033.db2.gz NQYGZTRGSXCMGK-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284334186 177293794 /nfs/dbraw/zinc/29/37/94/177293794.db2.gz KYPZECDIHCJSFM-NSHDSACASA-N 1 2 249.358 1.995 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284334186 177293795 /nfs/dbraw/zinc/29/37/95/177293795.db2.gz KYPZECDIHCJSFM-NSHDSACASA-N 1 2 249.358 1.995 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000172589061 177305480 /nfs/dbraw/zinc/30/54/80/177305480.db2.gz IKJFDTZHAVOZBW-JTQLQIEISA-N 1 2 248.355 1.667 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1cn2cccnc2n1 ZINC000172589061 177305483 /nfs/dbraw/zinc/30/54/83/177305483.db2.gz IKJFDTZHAVOZBW-JTQLQIEISA-N 1 2 248.355 1.667 20 0 BDADLO C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CCC1=O ZINC000328997053 177307822 /nfs/dbraw/zinc/30/78/22/177307822.db2.gz UQHXBZCLHSHTTI-IUCAKERBSA-N 1 2 248.282 1.153 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2nncs2)C1 ZINC000354211641 177316982 /nfs/dbraw/zinc/31/69/82/177316982.db2.gz XHYYVQZCQFRVCZ-SFYZADRCSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000354211641 177316983 /nfs/dbraw/zinc/31/69/83/177316983.db2.gz XHYYVQZCQFRVCZ-SFYZADRCSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nsc(N(C)C)n1 ZINC000336690399 177320249 /nfs/dbraw/zinc/32/02/49/177320249.db2.gz AWORITVOSAVJCK-DTWKUNHWSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000336690399 177320250 /nfs/dbraw/zinc/32/02/50/177320250.db2.gz AWORITVOSAVJCK-DTWKUNHWSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344975 177338077 /nfs/dbraw/zinc/33/80/77/177338077.db2.gz UACOWKOTLXPYEY-VHSXEESVSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334344975 177338078 /nfs/dbraw/zinc/33/80/78/177338078.db2.gz UACOWKOTLXPYEY-VHSXEESVSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000299684368 177343710 /nfs/dbraw/zinc/34/37/10/177343710.db2.gz SVQIYDVLIFGRMC-VHSXEESVSA-N 1 2 207.277 1.045 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333792998 177366852 /nfs/dbraw/zinc/36/68/52/177366852.db2.gz DSKSXFPJCWMASI-YTWAJWBKSA-N 1 2 248.330 1.844 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264604792 177381397 /nfs/dbraw/zinc/38/13/97/177381397.db2.gz YVMPIMZITAUHKW-ONGXEEELSA-N 1 2 229.283 1.720 20 0 BDADLO C[C@H]1C[C@H]1CNc1[nH+]cnc(-n2cccn2)c1N ZINC000277047361 177382836 /nfs/dbraw/zinc/38/28/36/177382836.db2.gz GNVOWRMAJIASSO-IUCAKERBSA-N 1 2 244.302 1.312 20 0 BDADLO C[C@H]1[N@H+](Cc2ccnn2C)CCOC1(C)C ZINC000336631643 177392199 /nfs/dbraw/zinc/39/21/99/177392199.db2.gz JUOFCWJPOWASNO-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1[N@@H+](Cc2ccnn2C)CCOC1(C)C ZINC000336631643 177392200 /nfs/dbraw/zinc/39/22/00/177392200.db2.gz JUOFCWJPOWASNO-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cnn(C)c2)[C@@H]1C ZINC000178587407 177398928 /nfs/dbraw/zinc/39/89/28/177398928.db2.gz SQGBRFWOPSUKPU-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cnn(C)c2)[C@@H]1C ZINC000178587407 177398929 /nfs/dbraw/zinc/39/89/29/177398929.db2.gz SQGBRFWOPSUKPU-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[S@](=O)C1(CNc2cccc[nH+]2)CC1 ZINC000281567059 177494938 /nfs/dbraw/zinc/49/49/38/177494938.db2.gz CIFYICOWFKBFQJ-AWEZNQCLSA-N 1 2 210.302 1.405 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)C1 ZINC000279457327 177526865 /nfs/dbraw/zinc/52/68/65/177526865.db2.gz OPJUVVJFWMCUFE-QMMMGPOBSA-N 1 2 207.277 1.129 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cscn1 ZINC000307497650 177528945 /nfs/dbraw/zinc/52/89/45/177528945.db2.gz JVFUIKHRFMGRES-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO COCCC[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000479011890 225173991 /nfs/dbraw/zinc/17/39/91/225173991.db2.gz AWTHQYBZUHKOIL-SECBINFHSA-N 1 2 239.319 1.397 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CCC1 ZINC000666290590 487644446 /nfs/dbraw/zinc/64/44/46/487644446.db2.gz PHCLVGHLHOEYFS-GHMZBOCLSA-N 1 2 233.315 1.440 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(C(F)F)CC1 ZINC000488223653 225356368 /nfs/dbraw/zinc/35/63/68/225356368.db2.gz QKYZTQOWWYVQBX-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO Cc1cnc(C[N@H+]2CC(C)(C)OC[C@@H]2C)cn1 ZINC000488234028 225357158 /nfs/dbraw/zinc/35/71/58/225357158.db2.gz QZJDGVKSHACVJT-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cn1 ZINC000488234028 225357161 /nfs/dbraw/zinc/35/71/61/225357161.db2.gz QZJDGVKSHACVJT-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C\C1CC1 ZINC000492743365 226044922 /nfs/dbraw/zinc/04/49/22/226044922.db2.gz YDQWBDBBCMZBQX-PLNGDYQASA-N 1 2 219.288 1.045 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(C)(C)O1 ZINC000492768698 226049389 /nfs/dbraw/zinc/04/93/89/226049389.db2.gz PFFBBCSUNLNZRS-LWTINBJPSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@@H]1C[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492776326 226051761 /nfs/dbraw/zinc/05/17/61/226051761.db2.gz ZSOGJDCNZFDSGB-LVUHIJSRSA-N 1 2 249.314 1.354 20 0 BDADLO C[C@@H]1COCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492804654 226055483 /nfs/dbraw/zinc/05/54/83/226055483.db2.gz UJZCIDVIAZZYDT-LVUHIJSRSA-N 1 2 249.314 1.212 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000492815072 226058780 /nfs/dbraw/zinc/05/87/80/226058780.db2.gz WCCQUIQMEUHLJK-ZBJFTSOASA-N 1 2 245.286 1.034 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000492867403 226072290 /nfs/dbraw/zinc/07/22/90/226072290.db2.gz RJFLPTMDZPVPJJ-ZHLVKLTDSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1nccs1 ZINC000492872071 226072581 /nfs/dbraw/zinc/07/25/81/226072581.db2.gz YHEQCZJRXROSSI-UPHRSURJSA-N 1 2 248.311 1.238 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1cnccn1 ZINC000272722211 487648490 /nfs/dbraw/zinc/64/84/90/487648490.db2.gz FMVCWAZLQKJHEG-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cnccn1 ZINC000272722211 487648493 /nfs/dbraw/zinc/64/84/93/487648493.db2.gz FMVCWAZLQKJHEG-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000493290744 226176957 /nfs/dbraw/zinc/17/69/57/226176957.db2.gz AARSPLKJPJVZEM-HPOULIHZSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\C(C)(C)C ZINC000493305459 226181887 /nfs/dbraw/zinc/18/18/87/226181887.db2.gz SIFKAWDFTIGYLS-ISALQUGTSA-N 1 2 235.331 1.990 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CC12CC2 ZINC000493318189 226184356 /nfs/dbraw/zinc/18/43/56/226184356.db2.gz JTQPHIGFKHYAMZ-GPYPMJJRSA-N 1 2 217.272 1.339 20 0 BDADLO COCCC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493071403 226118831 /nfs/dbraw/zinc/11/88/31/226118831.db2.gz ONKGCMRGKNTYFX-NSCUHMNNSA-N 1 2 249.314 1.356 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(C2CCC2)C1 ZINC000493162582 226142939 /nfs/dbraw/zinc/14/29/39/226142939.db2.gz JVHRAVWHWRCPIG-SNAWJCMRSA-N 1 2 231.299 1.681 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493199969 226154086 /nfs/dbraw/zinc/15/40/86/226154086.db2.gz DNGYYZHATKZTAQ-NRFYAWERSA-N 1 2 249.314 1.042 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1Cc2ccccc2C1 ZINC000493270133 226171597 /nfs/dbraw/zinc/17/15/97/226171597.db2.gz ZQSOABGSSMHMIP-WAYWQWQTSA-N 1 2 239.278 1.965 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCCSC1 ZINC000493360739 226194569 /nfs/dbraw/zinc/19/45/69/226194569.db2.gz WNKZLYQBVPOSFZ-NWALNABHSA-N 1 2 237.328 1.435 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC[C@H]1CCOC1 ZINC000493367560 226197281 /nfs/dbraw/zinc/19/72/81/226197281.db2.gz KCWGIXPQWQPHNQ-UFFNRZRYSA-N 1 2 249.314 1.356 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCCCO1 ZINC000493370495 226197913 /nfs/dbraw/zinc/19/79/13/226197913.db2.gz PKYUZUACYGSWQP-SNAWJCMRSA-N 1 2 221.260 1.367 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000493397230 226204770 /nfs/dbraw/zinc/20/47/70/226204770.db2.gz FTOLHHVLAFZNMY-LOTCAWRZSA-N 1 2 233.315 1.926 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(CO)c1 ZINC000493494472 226232574 /nfs/dbraw/zinc/23/25/74/226232574.db2.gz UVIVLWAMNZUTDU-SNAWJCMRSA-N 1 2 243.266 1.554 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C\C(C)(C)C)c1 ZINC000493508172 226235728 /nfs/dbraw/zinc/23/57/28/226235728.db2.gz CHGIZNQEIAAWAD-ALCCZGGFSA-N 1 2 235.331 1.681 20 0 BDADLO COC[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493662209 226248266 /nfs/dbraw/zinc/24/82/66/226248266.db2.gz YMECFNWOKQDSMP-FYJFLYSWSA-N 1 2 249.314 1.450 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C=CCCC1 ZINC000493804879 226254857 /nfs/dbraw/zinc/25/48/57/226254857.db2.gz UDIVAAXPLDWGJL-FGEFZZPRSA-N 1 2 217.272 1.648 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(CF)CC1 ZINC000493853278 226257569 /nfs/dbraw/zinc/25/75/69/226257569.db2.gz INLYYGHLKZWUPH-UPHRSURJSA-N 1 2 237.278 1.631 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C/C=C\c1ccncc1 ZINC000494982616 226273702 /nfs/dbraw/zinc/27/37/02/226273702.db2.gz WVEWGKIQMBRTBK-DEOOVVBZSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1C/C=C\c1ccncc1 ZINC000494982616 226273703 /nfs/dbraw/zinc/27/37/03/226273703.db2.gz WVEWGKIQMBRTBK-DEOOVVBZSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)OCCCF ZINC000496558015 226308191 /nfs/dbraw/zinc/30/81/91/226308191.db2.gz FDUZGGHYBWHVOM-SECBINFHSA-N 1 2 229.255 1.357 20 0 BDADLO Cc1cc(NCCC[C@@H]2CCOC2)nc[nH+]1 ZINC000402321291 226369665 /nfs/dbraw/zinc/36/96/65/226369665.db2.gz RSNUOPMCXPGAOS-LLVKDONJSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1nc(N2CCO[C@@H]([C@H]3CCCO3)C2)cc[nH+]1 ZINC000674934860 487658224 /nfs/dbraw/zinc/65/82/24/487658224.db2.gz DVMSORSGEVECNX-VXGBXAGGSA-N 1 2 249.314 1.169 20 0 BDADLO Cc1nc(N[C@@H]2CCN(C(C)(C)C)C2=O)cc[nH+]1 ZINC000517929316 262725076 /nfs/dbraw/zinc/72/50/76/262725076.db2.gz NYYNQUGFIKKLRL-SNVBAGLBSA-N 1 2 248.330 1.596 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1F ZINC000680864080 487660016 /nfs/dbraw/zinc/66/00/16/487660016.db2.gz DPDAIEFTHJCMPJ-BWZBUEFSSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1F ZINC000680864080 487660021 /nfs/dbraw/zinc/66/00/21/487660021.db2.gz DPDAIEFTHJCMPJ-BWZBUEFSSA-N 1 2 229.217 1.590 20 0 BDADLO COC/C(C)=C/c1nc(Cc2c[nH+]cn2C)no1 ZINC000351421066 487660498 /nfs/dbraw/zinc/66/04/98/487660498.db2.gz GFJDFIFWQBTEPY-RUDMXATFSA-N 1 2 248.286 1.444 20 0 BDADLO Cc1nc(N2CCC[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000665739489 487668256 /nfs/dbraw/zinc/66/82/56/487668256.db2.gz UPLSBTLSZFEKEN-MNOVXSKESA-N 1 2 219.288 1.400 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665875307 487687973 /nfs/dbraw/zinc/68/79/73/487687973.db2.gz CLGBSDCCYVVWAI-NXEZZACHSA-N 1 2 235.331 1.819 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665875307 487687977 /nfs/dbraw/zinc/68/79/77/487687977.db2.gz CLGBSDCCYVVWAI-NXEZZACHSA-N 1 2 235.331 1.819 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000667640568 487688165 /nfs/dbraw/zinc/68/81/65/487688165.db2.gz XRIWIZRFSFIVMQ-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000667640568 487688172 /nfs/dbraw/zinc/68/81/72/487688172.db2.gz XRIWIZRFSFIVMQ-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1cccc(C[NH2+]Cc2ccon2)n1 ZINC000088053948 487696535 /nfs/dbraw/zinc/69/65/35/487696535.db2.gz DGYHKWLSTSEZMW-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)NC1CC=CC1 ZINC000675303329 487698308 /nfs/dbraw/zinc/69/83/08/487698308.db2.gz WREUGXBWHAMQLR-UHFFFAOYSA-N 1 2 248.330 1.681 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncn(C)n2)ccn1 ZINC000527539560 262856424 /nfs/dbraw/zinc/85/64/24/262856424.db2.gz RTWQMHXBCVFKKT-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)no1 ZINC000068234482 262922732 /nfs/dbraw/zinc/92/27/32/262922732.db2.gz UUWWIJUWOXSUPX-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC12CCC2 ZINC000675323852 487704710 /nfs/dbraw/zinc/70/47/10/487704710.db2.gz YEAWAPKYJXUKBJ-SNVBAGLBSA-N 1 2 233.315 1.569 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC12CCC2 ZINC000675327674 487707426 /nfs/dbraw/zinc/70/74/26/487707426.db2.gz RFSNHYIVCQUSAU-VIFPVBQESA-N 1 2 219.288 1.558 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CC12CCC2 ZINC000675335210 487711991 /nfs/dbraw/zinc/71/19/91/487711991.db2.gz VNTCGNNRHTWJDC-SECBINFHSA-N 1 2 205.261 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CC12CCC2 ZINC000675335210 487711997 /nfs/dbraw/zinc/71/19/97/487711997.db2.gz VNTCGNNRHTWJDC-SECBINFHSA-N 1 2 205.261 1.216 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]c1)c1c(F)cncc1F ZINC000671730553 487712031 /nfs/dbraw/zinc/71/20/31/487712031.db2.gz WMLYKLKUPDJXNX-SSDOTTSWSA-N 1 2 238.241 1.934 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000668419744 487722008 /nfs/dbraw/zinc/72/20/08/487722008.db2.gz KZXXMZHKNRBVLT-GHMZBOCLSA-N 1 2 234.299 1.566 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]cc1C)C1CCCC1 ZINC000668419938 487722427 /nfs/dbraw/zinc/72/24/27/487722427.db2.gz QILODAKTLCSANR-ZDUSSCGKSA-N 1 2 248.326 1.956 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1c(Cl)cnn1C ZINC000668421969 487726888 /nfs/dbraw/zinc/72/68/88/487726888.db2.gz LYKDLGNQUGWFOK-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1c(Cl)cnn1C ZINC000668421969 487726890 /nfs/dbraw/zinc/72/68/90/487726890.db2.gz LYKDLGNQUGWFOK-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO c1nc2c(c(NCC3CCC3)[nH+]1)OCCN2 ZINC000665691603 487732128 /nfs/dbraw/zinc/73/21/28/487732128.db2.gz YIIUWNNZUIWKHV-UHFFFAOYSA-N 1 2 220.276 1.493 20 0 BDADLO c1nc(NCC2CCC2)c2c([nH+]1)NCCO2 ZINC000665691603 487732132 /nfs/dbraw/zinc/73/21/32/487732132.db2.gz YIIUWNNZUIWKHV-UHFFFAOYSA-N 1 2 220.276 1.493 20 0 BDADLO C[C@H]1C[C@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665692052 487731945 /nfs/dbraw/zinc/73/19/45/487731945.db2.gz DCQZMDYIUYCOLI-YUMQZZPRSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@H]1C[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665692052 487731950 /nfs/dbraw/zinc/73/19/50/487731950.db2.gz DCQZMDYIUYCOLI-YUMQZZPRSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000681120540 487732576 /nfs/dbraw/zinc/73/25/76/487732576.db2.gz AIXGFEJNPOELGL-CIUDSAMLSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000681120540 487732578 /nfs/dbraw/zinc/73/25/78/487732578.db2.gz AIXGFEJNPOELGL-CIUDSAMLSA-N 1 2 219.288 1.039 20 0 BDADLO COCC[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665697291 487732803 /nfs/dbraw/zinc/73/28/03/487732803.db2.gz XHETWDSIPADCQT-MRVPVSSYSA-N 1 2 238.291 1.118 20 0 BDADLO COCC[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665697291 487732808 /nfs/dbraw/zinc/73/28/08/487732808.db2.gz XHETWDSIPADCQT-MRVPVSSYSA-N 1 2 238.291 1.118 20 0 BDADLO C[C@H](N(C)c1nc[nH+]c2c1OCCN2)C1(C)CC1 ZINC000665705820 487735599 /nfs/dbraw/zinc/73/55/99/487735599.db2.gz YXLDCJFEPXUJRH-VIFPVBQESA-N 1 2 248.330 1.906 20 0 BDADLO C[C@H](N(C)c1[nH+]cnc2c1OCCN2)C1(C)CC1 ZINC000665705820 487735603 /nfs/dbraw/zinc/73/56/03/487735603.db2.gz YXLDCJFEPXUJRH-VIFPVBQESA-N 1 2 248.330 1.906 20 0 BDADLO c1nc(N2CCC3(CCC3)C2)c2c([nH+]1)NCCO2 ZINC000665706160 487736133 /nfs/dbraw/zinc/73/61/33/487736133.db2.gz AFBROUGGVXYZDV-UHFFFAOYSA-N 1 2 246.314 1.661 20 0 BDADLO c1nc2c(c(N3CCC4(CCC4)C3)[nH+]1)OCCN2 ZINC000665706160 487736137 /nfs/dbraw/zinc/73/61/37/487736137.db2.gz AFBROUGGVXYZDV-UHFFFAOYSA-N 1 2 246.314 1.661 20 0 BDADLO C[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000665709644 487737469 /nfs/dbraw/zinc/73/74/69/487737469.db2.gz RNPWOPISGZHUEU-VHSXEESVSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C[C@H]1C ZINC000665709644 487737473 /nfs/dbraw/zinc/73/74/73/487737473.db2.gz RNPWOPISGZHUEU-VHSXEESVSA-N 1 2 248.330 1.763 20 0 BDADLO Cc1ccoc1CNc1nc[nH+]c2c1OCCN2 ZINC000665720612 487739882 /nfs/dbraw/zinc/73/98/82/487739882.db2.gz WEEYMAJHKFNBTM-UHFFFAOYSA-N 1 2 246.270 1.794 20 0 BDADLO Cc1ccoc1CNc1[nH+]cnc2c1OCCN2 ZINC000665720612 487739888 /nfs/dbraw/zinc/73/98/88/487739888.db2.gz WEEYMAJHKFNBTM-UHFFFAOYSA-N 1 2 246.270 1.794 20 0 BDADLO C[N@H+](Cc1nnnn1C1CC1)Cc1ccccc1 ZINC000044069576 487744147 /nfs/dbraw/zinc/74/41/47/487744147.db2.gz NDQFULFYYPFAQY-UHFFFAOYSA-N 1 2 243.314 1.640 20 0 BDADLO C[N@@H+](Cc1nnnn1C1CC1)Cc1ccccc1 ZINC000044069576 487744155 /nfs/dbraw/zinc/74/41/55/487744155.db2.gz NDQFULFYYPFAQY-UHFFFAOYSA-N 1 2 243.314 1.640 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667830406 487746123 /nfs/dbraw/zinc/74/61/23/487746123.db2.gz ORJWXJFVYSLQJP-ZJUUUORDSA-N 1 2 233.315 1.383 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667830406 487746127 /nfs/dbraw/zinc/74/61/27/487746127.db2.gz ORJWXJFVYSLQJP-ZJUUUORDSA-N 1 2 233.315 1.383 20 0 BDADLO OCC1(CC[NH+]=c2[nH]c3ccccc3[nH]2)CCC1 ZINC000651466110 487747586 /nfs/dbraw/zinc/74/75/86/487747586.db2.gz OUNJPSFXYIOPKD-UHFFFAOYSA-N 1 2 245.326 1.949 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666181327 487748323 /nfs/dbraw/zinc/74/83/23/487748323.db2.gz ULJQIOHMSHRGKV-GHMZBOCLSA-N 1 2 235.331 1.638 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2cnoc2)CC1 ZINC000675562023 487748691 /nfs/dbraw/zinc/74/86/91/487748691.db2.gz DICGHYYPOQXFTD-UHFFFAOYSA-N 1 2 223.276 1.345 20 0 BDADLO O[C@@]1(CCNc2cccc[nH+]2)CCCOC1 ZINC000651467513 487748842 /nfs/dbraw/zinc/74/88/42/487748842.db2.gz NHTTWKOPEKOFKO-GFCCVEGCSA-N 1 2 222.288 1.425 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@H](OC)C1 ZINC000300665179 487750082 /nfs/dbraw/zinc/75/00/82/487750082.db2.gz ZZRQTRDRFRWMEM-YUMQZZPRSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@H](OC)C1 ZINC000300665179 487750089 /nfs/dbraw/zinc/75/00/89/487750089.db2.gz ZZRQTRDRFRWMEM-YUMQZZPRSA-N 1 2 238.291 1.047 20 0 BDADLO CCc1cc(NCCCc2nncn2C)nc[nH+]1 ZINC000311094094 487750782 /nfs/dbraw/zinc/75/07/82/487750782.db2.gz IUMGYKCYMZFIEV-UHFFFAOYSA-N 1 2 246.318 1.212 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CCC[C@H](OC)C2 ZINC000666192543 487753340 /nfs/dbraw/zinc/75/33/40/487753340.db2.gz FMABAWSJYUBHOY-GXFFZTMASA-N 1 2 240.347 1.502 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CCC[C@H](OC)C2 ZINC000666192542 487753394 /nfs/dbraw/zinc/75/33/94/487753394.db2.gz FMABAWSJYUBHOY-GWCFXTLKSA-N 1 2 240.347 1.502 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792540 487763424 /nfs/dbraw/zinc/76/34/24/487763424.db2.gz QEBNSBGXDQLILM-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCc2c[nH]nc2C1 ZINC000676792540 487763427 /nfs/dbraw/zinc/76/34/27/487763427.db2.gz QEBNSBGXDQLILM-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO Cc1ccccc1-c1noc(C[N@H+](C)CCO)n1 ZINC000049633895 487767781 /nfs/dbraw/zinc/76/77/81/487767781.db2.gz PICYWMUBCZQMRV-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO Cc1ccccc1-c1noc(C[N@@H+](C)CCO)n1 ZINC000049633895 487767786 /nfs/dbraw/zinc/76/77/86/487767786.db2.gz PICYWMUBCZQMRV-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO Cc1ccncc1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448361 487770298 /nfs/dbraw/zinc/77/02/98/487770298.db2.gz NUAZMFQHENLLIU-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO CC1=CC[N@@H+](CN2CCSC2=O)CC1 ZINC000755766944 585306311 /nfs/dbraw/zinc/30/63/11/585306311.db2.gz HNTXRQWZBFIWSO-UHFFFAOYSA-N 1 2 212.318 1.765 20 0 BDADLO COc1ccc[nH+]c1NCc1cc(C)n(C)n1 ZINC000666291154 487780433 /nfs/dbraw/zinc/78/04/33/487780433.db2.gz ULCIRQNUWDISER-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO CCc1cc(C)nc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000680959244 487780837 /nfs/dbraw/zinc/78/08/37/487780837.db2.gz URHJITRICNZDQQ-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CCC2(CC2)CC1 ZINC000666352702 487792240 /nfs/dbraw/zinc/79/22/40/487792240.db2.gz ASNBEJFGWXSLSI-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000684208762 487793340 /nfs/dbraw/zinc/79/33/40/487793340.db2.gz RETRUILTVFVUDW-YUMQZZPRSA-N 1 2 247.302 1.052 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675968488 487798235 /nfs/dbraw/zinc/79/82/35/487798235.db2.gz QVVQXQGLMTTXRW-OLZOCXBDSA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675968488 487798237 /nfs/dbraw/zinc/79/82/37/487798237.db2.gz QVVQXQGLMTTXRW-OLZOCXBDSA-N 1 2 248.301 1.851 20 0 BDADLO Cc1nc(N(C)Cc2ccoc2)nc(N(C)C)[nH+]1 ZINC000676079142 487809878 /nfs/dbraw/zinc/80/98/78/487809878.db2.gz YZUCNCTULJSLDQ-UHFFFAOYSA-N 1 2 247.302 1.475 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)Cc2ccoc2)[nH+]1 ZINC000676079142 487809883 /nfs/dbraw/zinc/80/98/83/487809883.db2.gz YZUCNCTULJSLDQ-UHFFFAOYSA-N 1 2 247.302 1.475 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC2(CC2)C1 ZINC000666449574 487811743 /nfs/dbraw/zinc/81/17/43/487811743.db2.gz GGKWCHMJCRTRIM-SNVBAGLBSA-N 1 2 233.315 1.578 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C1(CO)CC1 ZINC000666493666 487820720 /nfs/dbraw/zinc/82/07/20/487820720.db2.gz LRXYGCJMZXTHCG-SNVBAGLBSA-N 1 2 249.314 1.094 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H]3C[C@@H]3C2)c(C)c[nH+]1 ZINC000666496518 487821918 /nfs/dbraw/zinc/82/19/18/487821918.db2.gz OYLSATBEABSGDZ-VXGBXAGGSA-N 1 2 245.326 1.994 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)no1 ZINC000681606232 487824137 /nfs/dbraw/zinc/82/41/37/487824137.db2.gz YNYNGBMPFDVBKO-NSHDSACASA-N 1 2 233.275 1.022 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](n3cncn3)C2)no1 ZINC000681606232 487824138 /nfs/dbraw/zinc/82/41/38/487824138.db2.gz YNYNGBMPFDVBKO-NSHDSACASA-N 1 2 233.275 1.022 20 0 BDADLO C[C@@H](NC(=O)Nc1ccon1)c1[nH+]ccn1C ZINC000666517933 487825380 /nfs/dbraw/zinc/82/53/80/487825380.db2.gz FJFHSEIHLHHXGN-SSDOTTSWSA-N 1 2 235.247 1.291 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)co1 ZINC000647964090 487827083 /nfs/dbraw/zinc/82/70/83/487827083.db2.gz QXEWDHJXCJQMLE-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)co1 ZINC000647964090 487827088 /nfs/dbraw/zinc/82/70/88/487827088.db2.gz QXEWDHJXCJQMLE-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO O=C(NC1CC=CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681652847 487830855 /nfs/dbraw/zinc/83/08/55/487830855.db2.gz GCDIOOGEFURJRD-LLVKDONJSA-N 1 2 246.314 1.216 20 0 BDADLO CCn1nccc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000666560377 487831186 /nfs/dbraw/zinc/83/11/86/487831186.db2.gz CPDJBGBKHLHTBN-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO CCn1nccc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000666560377 487831192 /nfs/dbraw/zinc/83/11/92/487831192.db2.gz CPDJBGBKHLHTBN-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO C[C@H]1C[NH+](Cc2cn(C)nn2)C[C@H](C)C1(F)F ZINC000625652739 487835757 /nfs/dbraw/zinc/83/57/57/487835757.db2.gz GCHAYYGGKZANQC-IUCAKERBSA-N 1 2 244.289 1.538 20 0 BDADLO COC(=O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371550590 487839983 /nfs/dbraw/zinc/83/99/83/487839983.db2.gz CWTNJJGVPSHISU-OCCSQVGLSA-N 1 2 249.310 1.527 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCc1c[nH+]c[nH]1 ZINC000668996433 487845107 /nfs/dbraw/zinc/84/51/07/487845107.db2.gz ZOVLBCJUOUGQMV-SECBINFHSA-N 1 2 233.271 1.498 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCc1c[nH]c[nH+]1 ZINC000668996433 487845112 /nfs/dbraw/zinc/84/51/12/487845112.db2.gz ZOVLBCJUOUGQMV-SECBINFHSA-N 1 2 233.271 1.498 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793902 590624401 /nfs/dbraw/zinc/62/44/01/590624401.db2.gz XLXWNOZYHLDTRN-SECBINFHSA-N 1 2 230.739 1.730 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793902 590624402 /nfs/dbraw/zinc/62/44/02/590624402.db2.gz XLXWNOZYHLDTRN-SECBINFHSA-N 1 2 230.739 1.730 20 0 BDADLO CCOC(=O)NOCc1c[nH+]ccc1OC ZINC000496458175 529085476 /nfs/dbraw/zinc/08/54/76/529085476.db2.gz NFBQDPOXHVOLKD-UHFFFAOYSA-N 1 2 226.232 1.268 20 0 BDADLO CC1(C)CN(C[N@@H+]2CCC[C@@](C)(F)C2)C(=O)O1 ZINC000495937254 529121136 /nfs/dbraw/zinc/12/11/36/529121136.db2.gz VAUDSKPJPOPMGU-GFCCVEGCSA-N 1 2 244.310 1.999 20 0 BDADLO CC1(C)CN(C[N@H+]2CCC[C@@](C)(F)C2)C(=O)O1 ZINC000495937254 529121139 /nfs/dbraw/zinc/12/11/39/529121139.db2.gz VAUDSKPJPOPMGU-GFCCVEGCSA-N 1 2 244.310 1.999 20 0 BDADLO CC(C)NC(=O)OC1C[NH+](CC2(C)CC2)C1 ZINC000496212123 529140137 /nfs/dbraw/zinc/14/01/37/529140137.db2.gz JGOREZHVVLFJPB-UHFFFAOYSA-N 1 2 226.320 1.605 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CC1(C)C ZINC000558534846 322951641 /nfs/dbraw/zinc/95/16/41/322951641.db2.gz VWTCBHCRIMHIIV-SECBINFHSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@@H]1COCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000676492403 487856811 /nfs/dbraw/zinc/85/68/11/487856811.db2.gz NTQDRBDHQHXISB-SNVBAGLBSA-N 1 2 233.315 1.969 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2CCC[C@H]21 ZINC000681762907 487859220 /nfs/dbraw/zinc/85/92/20/487859220.db2.gz TWYRDIXQRKFAPY-GHMZBOCLSA-N 1 2 219.288 1.284 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000676549028 487871775 /nfs/dbraw/zinc/87/17/75/487871775.db2.gz SUDAFIZVMHFABC-IUCAKERBSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000676549028 487871778 /nfs/dbraw/zinc/87/17/78/487871778.db2.gz SUDAFIZVMHFABC-IUCAKERBSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H](C)C(=O)[O-] ZINC000086300827 322962229 /nfs/dbraw/zinc/96/22/29/322962229.db2.gz QRMPKQWDUGKPBK-GHMZBOCLSA-N 1 2 228.336 1.171 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000682034330 487886698 /nfs/dbraw/zinc/88/66/98/487886698.db2.gz XIICXTDMESKBKM-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@@H]1CCCOC1 ZINC000682034330 487886703 /nfs/dbraw/zinc/88/67/03/487886703.db2.gz XIICXTDMESKBKM-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO CC[C@@H](NC(=O)c1ccnn1CC)c1[nH]cc[nH+]1 ZINC000682040520 487887512 /nfs/dbraw/zinc/88/75/12/487887512.db2.gz GOFPESXHOWPVIU-SECBINFHSA-N 1 2 247.302 1.507 20 0 BDADLO CC[C@@H](NC(=O)c1cnco1)c1[nH]cc[nH+]1 ZINC000682040162 487887799 /nfs/dbraw/zinc/88/77/99/487887799.db2.gz FGRUKLBCDRXFJI-SSDOTTSWSA-N 1 2 220.232 1.279 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000416328270 487896903 /nfs/dbraw/zinc/89/69/03/487896903.db2.gz ZSZUBUQDTIVQJD-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000416328270 487896908 /nfs/dbraw/zinc/89/69/08/487896908.db2.gz ZSZUBUQDTIVQJD-GMTAPVOTSA-N 1 2 235.331 1.845 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1CC2(CC2)C1 ZINC000668536423 487899719 /nfs/dbraw/zinc/89/97/19/487899719.db2.gz SUIDZFCKICZZQI-UHFFFAOYSA-N 1 2 219.288 1.259 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@H+]2CC=CCC2)n1 ZINC000679322770 487902109 /nfs/dbraw/zinc/90/21/09/487902109.db2.gz BMBQJWVAGPCOMW-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO CCO[C@@H](C)c1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679322770 487902113 /nfs/dbraw/zinc/90/21/13/487902113.db2.gz BMBQJWVAGPCOMW-JTQLQIEISA-N 1 2 237.303 1.929 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(CO)cc1)C(F)F ZINC000227461045 487915575 /nfs/dbraw/zinc/91/55/75/487915575.db2.gz VHHAYOHUKLFGNG-MRVPVSSYSA-N 1 2 215.243 1.922 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000226750445 487920826 /nfs/dbraw/zinc/92/08/26/487920826.db2.gz JJPKDTGARYUISX-SREGZZRCSA-N 1 2 249.314 1.662 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667005319 487928159 /nfs/dbraw/zinc/92/81/59/487928159.db2.gz OKBDSNVELOZNJK-LDYMZIIASA-N 1 2 233.315 1.429 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667005319 487928161 /nfs/dbraw/zinc/92/81/61/487928161.db2.gz OKBDSNVELOZNJK-LDYMZIIASA-N 1 2 233.315 1.429 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000676795075 487930761 /nfs/dbraw/zinc/93/07/61/487930761.db2.gz WVHWHPGXUAHURJ-NSHDSACASA-N 1 2 221.304 1.337 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC000676795075 487930768 /nfs/dbraw/zinc/93/07/68/487930768.db2.gz WVHWHPGXUAHURJ-NSHDSACASA-N 1 2 221.304 1.337 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000676795075 487930776 /nfs/dbraw/zinc/93/07/76/487930776.db2.gz WVHWHPGXUAHURJ-NSHDSACASA-N 1 2 221.304 1.337 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1CCCCO1)C2 ZINC000676795075 487930781 /nfs/dbraw/zinc/93/07/81/487930781.db2.gz WVHWHPGXUAHURJ-NSHDSACASA-N 1 2 221.304 1.337 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCS[C@H]1C ZINC000381637754 487932157 /nfs/dbraw/zinc/93/21/57/487932157.db2.gz XRRZDJJEJVAVAI-BQBZGAKWSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCS[C@H]1C ZINC000381637754 487932161 /nfs/dbraw/zinc/93/21/61/487932161.db2.gz XRRZDJJEJVAVAI-BQBZGAKWSA-N 1 2 240.332 1.373 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676843141 487936171 /nfs/dbraw/zinc/93/61/71/487936171.db2.gz YIJAIWZYVFDMQU-QMMMGPOBSA-N 1 2 232.243 1.072 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667094206 487938840 /nfs/dbraw/zinc/93/88/40/487938840.db2.gz RYQDLDASQUUCQK-SECBINFHSA-N 1 2 235.331 1.677 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667094206 487938845 /nfs/dbraw/zinc/93/88/45/487938845.db2.gz RYQDLDASQUUCQK-SECBINFHSA-N 1 2 235.331 1.677 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(F)F ZINC000682373493 487942228 /nfs/dbraw/zinc/94/22/28/487942228.db2.gz RDAPEVVWYOKRBK-IWSPIJDZSA-N 1 2 207.264 1.733 20 0 BDADLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(F)F ZINC000682373493 487942233 /nfs/dbraw/zinc/94/22/33/487942233.db2.gz RDAPEVVWYOKRBK-IWSPIJDZSA-N 1 2 207.264 1.733 20 0 BDADLO Cc1nc(NCCCc2ccccc2)nc(N)[nH+]1 ZINC000147047131 487943524 /nfs/dbraw/zinc/94/35/24/487943524.db2.gz LFRQGILAMCHRAH-UHFFFAOYSA-N 1 2 243.314 1.807 20 0 BDADLO Cc1nc(N)nc(NCCCc2ccccc2)[nH+]1 ZINC000147047131 487943529 /nfs/dbraw/zinc/94/35/29/487943529.db2.gz LFRQGILAMCHRAH-UHFFFAOYSA-N 1 2 243.314 1.807 20 0 BDADLO c1cn(-c2cc(N3CCCCO3)ncn2)c[nH+]1 ZINC000682395639 487946386 /nfs/dbraw/zinc/94/63/86/487946386.db2.gz QSMXNGFLKHXKLT-UHFFFAOYSA-N 1 2 231.259 1.194 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)CC1=CCCOC1 ZINC000668569225 487950072 /nfs/dbraw/zinc/95/00/72/487950072.db2.gz TTYOYMZYRXUSSE-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)CC1=CCCOC1 ZINC000668569225 487950074 /nfs/dbraw/zinc/95/00/74/487950074.db2.gz TTYOYMZYRXUSSE-UHFFFAOYSA-N 1 2 221.304 1.497 20 0 BDADLO C[C@@H]1COCC[C@@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000569403259 322965268 /nfs/dbraw/zinc/96/52/68/322965268.db2.gz IVUYKKJGALEGAR-ZJUUUORDSA-N 1 2 248.286 1.454 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCO[C@H](C)C1 ZINC000569504689 322968421 /nfs/dbraw/zinc/96/84/21/322968421.db2.gz XEYSINSFRMJGLL-ZYHUDNBSSA-N 1 2 235.331 1.742 20 0 BDADLO Cc1nnc(NC(=O)[C@H](C)[NH+]2CC(C)C2)s1 ZINC000561107893 322995581 /nfs/dbraw/zinc/99/55/81/322995581.db2.gz IZGXODVTNVHVIE-ZETCQYMHSA-N 1 2 240.332 1.125 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000520956449 323000129 /nfs/dbraw/zinc/00/01/29/323000129.db2.gz BIZKZLKGWRKKPJ-QWRGUYRKSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000566484998 323001562 /nfs/dbraw/zinc/00/15/62/323001562.db2.gz WIGDLOKZMNVTKX-CHWSQXEVSA-N 1 2 247.342 1.956 20 0 BDADLO C[C@H]1CC[C@H]1Nc1[nH+]cnc(-n2cccn2)c1N ZINC000561437750 323001620 /nfs/dbraw/zinc/00/16/20/323001620.db2.gz YCOOIMHYQMVNEG-DTWKUNHWSA-N 1 2 244.302 1.455 20 0 BDADLO c1cc(OCCOC[C@@H]2CCCO2)cc[nH+]1 ZINC000564519265 323006649 /nfs/dbraw/zinc/00/66/49/323006649.db2.gz DNTNKHATWVVHHI-LBPRGKRZSA-N 1 2 223.272 1.656 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1ncccc1O ZINC000561949756 323009167 /nfs/dbraw/zinc/00/91/67/323009167.db2.gz FZDLWWZZJYEUFS-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1ncccc1O ZINC000561949756 323009168 /nfs/dbraw/zinc/00/91/68/323009168.db2.gz FZDLWWZZJYEUFS-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(C2CC2)n(C)n1 ZINC000562083299 323011930 /nfs/dbraw/zinc/01/19/30/323011930.db2.gz LXZAACJUXNMOIO-UHFFFAOYSA-N 1 2 245.330 1.548 20 0 BDADLO Cc1cnc(-c2noc(Cn3cc[nH+]c3)n2)nc1 ZINC000562283179 323014872 /nfs/dbraw/zinc/01/48/72/323014872.db2.gz MALNOJANHNVQFR-UHFFFAOYSA-N 1 2 242.242 1.080 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000562287456 323015035 /nfs/dbraw/zinc/01/50/35/323015035.db2.gz AUQSMPMLJHJSCB-GHMZBOCLSA-N 1 2 249.314 1.997 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000562444127 323019919 /nfs/dbraw/zinc/01/99/19/323019919.db2.gz PTLNVIWWRLJEEA-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000562444127 323019920 /nfs/dbraw/zinc/01/99/20/323019920.db2.gz PTLNVIWWRLJEEA-LBPRGKRZSA-N 1 2 234.299 1.434 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1ncnn1CCF ZINC000562510117 323022378 /nfs/dbraw/zinc/02/23/78/323022378.db2.gz FMUWJXQBIGMTAR-IUCAKERBSA-N 1 2 212.272 1.230 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@](O)(C(F)F)C1 ZINC000565225205 323034401 /nfs/dbraw/zinc/03/44/01/323034401.db2.gz CBHNQDUQKGHRLC-NSHDSACASA-N 1 2 243.257 1.300 20 0 BDADLO CC(C)n1cc(COc2cc[nH+]cc2)nn1 ZINC000569664977 323036091 /nfs/dbraw/zinc/03/60/91/323036091.db2.gz ARDMWTBWLJTRBD-UHFFFAOYSA-N 1 2 218.260 1.833 20 0 BDADLO C[C@H]1CCCC[C@@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000562962679 323036632 /nfs/dbraw/zinc/03/66/32/323036632.db2.gz QKKLMRQOFWNXJL-WCQYABFASA-N 1 2 235.331 1.968 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](F)C1 ZINC000569826140 323042135 /nfs/dbraw/zinc/04/21/35/323042135.db2.gz XEYSYBLOGHJCLF-UTLUCORTSA-N 1 2 239.294 1.595 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](F)C1 ZINC000569826140 323042136 /nfs/dbraw/zinc/04/21/36/323042136.db2.gz XEYSYBLOGHJCLF-UTLUCORTSA-N 1 2 239.294 1.595 20 0 BDADLO CC(C)N(CC(F)F)C(=O)C[NH+]1CC(C)(C)C1 ZINC000569865524 323043098 /nfs/dbraw/zinc/04/30/98/323043098.db2.gz YSJHWZKKMVJYGD-UHFFFAOYSA-N 1 2 248.317 1.830 20 0 BDADLO C[C@H]1CC=C(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000569902183 323043941 /nfs/dbraw/zinc/04/39/41/323043941.db2.gz RNAXCVICHLNQRS-NSHDSACASA-N 1 2 247.342 1.825 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@H]1CCCO1 ZINC000570175163 323052040 /nfs/dbraw/zinc/05/20/40/323052040.db2.gz HSIHKENUNZOLCC-SNVBAGLBSA-N 1 2 237.303 1.088 20 0 BDADLO C[C@@H]1CCN(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000570226172 323053644 /nfs/dbraw/zinc/05/36/44/323053644.db2.gz IHNHHAMTRRZEAW-SECBINFHSA-N 1 2 222.292 1.303 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC2(CF)CCC2)C1 ZINC000570225988 323053762 /nfs/dbraw/zinc/05/37/62/323053762.db2.gz TZHRTESFCQABNM-UHFFFAOYSA-N 1 2 228.311 1.337 20 0 BDADLO c1nc(NC2CC2)cc(NC[C@H]2CCCOC2)[nH+]1 ZINC000570379171 323057798 /nfs/dbraw/zinc/05/77/98/323057798.db2.gz ZQCGSJPBOKFOSZ-SNVBAGLBSA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NC[C@H]2CCCOC2)cc(NC2CC2)[nH+]1 ZINC000570379171 323057799 /nfs/dbraw/zinc/05/77/99/323057799.db2.gz ZQCGSJPBOKFOSZ-SNVBAGLBSA-N 1 2 248.330 1.889 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570402204 323058680 /nfs/dbraw/zinc/05/86/80/323058680.db2.gz ORKAXAIEJZEKBZ-QMMMGPOBSA-N 1 2 247.302 1.813 20 0 BDADLO CC1(O)CN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000570447673 323059715 /nfs/dbraw/zinc/05/97/15/323059715.db2.gz GCUPDKJQJPAHPF-UHFFFAOYSA-N 1 2 245.326 1.414 20 0 BDADLO Cc1c(CNc2nc(C)[nH+]cc2C)cnn1C ZINC000570558704 323062862 /nfs/dbraw/zinc/06/28/62/323062862.db2.gz ZENRSHVQMNZFPP-UHFFFAOYSA-N 1 2 231.303 1.169 20 0 BDADLO CC(C)(NC(=O)CCc1c[nH+]c[nH]1)c1ncc[nH]1 ZINC000570577281 323063761 /nfs/dbraw/zinc/06/37/61/323063761.db2.gz UTELWZAEOOTOOT-UHFFFAOYSA-N 1 2 247.302 1.117 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H](O)C1CCCCC1 ZINC000570765397 323069569 /nfs/dbraw/zinc/06/95/69/323069569.db2.gz KBSHNHVFAAEQLF-CYBMUJFWSA-N 1 2 249.358 1.868 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000570891983 323073448 /nfs/dbraw/zinc/07/34/48/323073448.db2.gz FTUQPQXBPWBUDU-ZJUUUORDSA-N 1 2 219.288 1.313 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567741397 323079966 /nfs/dbraw/zinc/07/99/66/323079966.db2.gz UCPPVWBDBBIWSF-ZJUUUORDSA-N 1 2 237.303 1.318 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC(F)F)C(C)C ZINC000309581169 323082411 /nfs/dbraw/zinc/08/24/11/323082411.db2.gz QLEDDKOTSVBEKS-SECBINFHSA-N 1 2 239.262 1.055 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531201537 323085240 /nfs/dbraw/zinc/08/52/40/323085240.db2.gz CAAHFZJMCGEXOY-NSHDSACASA-N 1 2 220.272 1.392 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531201537 323085241 /nfs/dbraw/zinc/08/52/41/323085241.db2.gz CAAHFZJMCGEXOY-NSHDSACASA-N 1 2 220.272 1.392 20 0 BDADLO CO[C@@H](C)c1noc(C[NH+]2C3CCC2CC3)n1 ZINC000531342187 323087699 /nfs/dbraw/zinc/08/76/99/323087699.db2.gz QLBOZKUMQNWHHM-IDKOKCKLSA-N 1 2 237.303 1.904 20 0 BDADLO O[C@@H]1CC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000565358551 323094974 /nfs/dbraw/zinc/09/49/74/323094974.db2.gz DVYDLVMUSLMYMC-NXEZZACHSA-N 1 2 234.303 1.234 20 0 BDADLO O[C@@H]1CC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000565358551 323094975 /nfs/dbraw/zinc/09/49/75/323094975.db2.gz DVYDLVMUSLMYMC-NXEZZACHSA-N 1 2 234.303 1.234 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563201808 323101523 /nfs/dbraw/zinc/10/15/23/323101523.db2.gz YIKHTVACNQBRJZ-VHSXEESVSA-N 1 2 239.294 1.310 20 0 BDADLO CCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000570976503 323102575 /nfs/dbraw/zinc/10/25/75/323102575.db2.gz ZNEVRYLZRYYHFQ-UHFFFAOYSA-N 1 2 209.293 1.951 20 0 BDADLO Cc1[nH]nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC000563243536 323106553 /nfs/dbraw/zinc/10/65/53/323106553.db2.gz HFLKELZUPCPSSW-MRVPVSSYSA-N 1 2 247.302 1.813 20 0 BDADLO NC(=O)c1cccc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000563273234 323107284 /nfs/dbraw/zinc/10/72/84/323107284.db2.gz MWWRYACULCPVHI-LBPRGKRZSA-N 1 2 236.290 1.719 20 0 BDADLO NC(=O)c1cccc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000563273234 323107285 /nfs/dbraw/zinc/10/72/85/323107285.db2.gz MWWRYACULCPVHI-LBPRGKRZSA-N 1 2 236.290 1.719 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000531566189 323110053 /nfs/dbraw/zinc/11/00/53/323110053.db2.gz OJEXPIRTEIOPRN-LLVKDONJSA-N 1 2 245.330 1.273 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)C[S@](C)=O ZINC000229015567 323110880 /nfs/dbraw/zinc/11/08/80/323110880.db2.gz GWUXWKNQDQXWTC-AYVTZFPOSA-N 1 2 228.317 1.269 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(CO)c1 ZINC000534063959 323113273 /nfs/dbraw/zinc/11/32/73/323113273.db2.gz XOQTZJPDFRMBPH-JTQLQIEISA-N 1 2 231.299 1.753 20 0 BDADLO COC(C)(C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000531827427 323114825 /nfs/dbraw/zinc/11/48/25/323114825.db2.gz BDWAVVTZTCUAKM-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CCN(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534324852 323116636 /nfs/dbraw/zinc/11/66/36/323116636.db2.gz LZNAVXJFFHCMLU-UHFFFAOYSA-N 1 2 221.304 1.994 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1ccc(CO)o1 ZINC000534342952 323117411 /nfs/dbraw/zinc/11/74/11/323117411.db2.gz QZXLAJBGFTVPAY-UHFFFAOYSA-N 1 2 221.256 1.997 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1ccc(CO)o1 ZINC000534342952 323117412 /nfs/dbraw/zinc/11/74/12/323117412.db2.gz QZXLAJBGFTVPAY-UHFFFAOYSA-N 1 2 221.256 1.997 20 0 BDADLO Cc1cnc(C)nc1N1CC(n2cc[nH+]c2)C1 ZINC000563424093 323123684 /nfs/dbraw/zinc/12/36/84/323123684.db2.gz CFQXIFOAWHNWSG-UHFFFAOYSA-N 1 2 229.287 1.351 20 0 BDADLO CC[C@H]([NH2+]Cc1cc[nH]n1)c1nccn1C ZINC000310003228 323125153 /nfs/dbraw/zinc/12/51/53/323125153.db2.gz FNVJYLHQTJVDNK-JTQLQIEISA-N 1 2 219.292 1.384 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCO[C@]2(CCOC2)C1 ZINC000563427889 323126168 /nfs/dbraw/zinc/12/61/68/323126168.db2.gz UQSZHPJVACINKB-CYBMUJFWSA-N 1 2 249.314 1.089 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CC12CC2 ZINC000563519058 323128908 /nfs/dbraw/zinc/12/89/08/323128908.db2.gz OSLUHYXWGHKECD-QMMMGPOBSA-N 1 2 229.287 1.575 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCOc2ccccc21 ZINC000571191524 323137571 /nfs/dbraw/zinc/13/75/71/323137571.db2.gz OCURLRCZMNUMLG-UHFFFAOYSA-N 1 2 243.266 1.309 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)nc1 ZINC000571461963 323145409 /nfs/dbraw/zinc/14/54/09/323145409.db2.gz KTKZTXKVIGPMAM-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)nc1 ZINC000571461963 323145410 /nfs/dbraw/zinc/14/54/10/323145410.db2.gz KTKZTXKVIGPMAM-JTQLQIEISA-N 1 2 244.298 1.930 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)[C@H]1SC ZINC000571522748 323146790 /nfs/dbraw/zinc/14/67/90/323146790.db2.gz QALQCPIFHXEFIS-GMTAPVOTSA-N 1 2 241.360 1.408 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000451552877 323150282 /nfs/dbraw/zinc/15/02/82/323150282.db2.gz ZGUPAIBUEBPXCB-KOLCDFICSA-N 1 2 238.335 1.360 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000451552877 323150283 /nfs/dbraw/zinc/15/02/83/323150283.db2.gz ZGUPAIBUEBPXCB-KOLCDFICSA-N 1 2 238.335 1.360 20 0 BDADLO CO[C@@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000049105599 323157650 /nfs/dbraw/zinc/15/76/50/323157650.db2.gz WADOFDBQADEROG-JTQLQIEISA-N 1 2 247.298 1.028 20 0 BDADLO Cc1cnc(C(=O)Nc2cc(C)[nH+]cc2C)cn1 ZINC000535035098 323164208 /nfs/dbraw/zinc/16/42/08/323164208.db2.gz XLNMACHWTPAELX-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cc1cc(NC(=O)c2ccnn2C)c(C)c[nH+]1 ZINC000535036498 323164286 /nfs/dbraw/zinc/16/42/86/323164286.db2.gz ROMUPJOSRDCWJN-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO Nc1ccc(CNc2ncnc3c2CCC3)c[nH+]1 ZINC000308390816 323174158 /nfs/dbraw/zinc/17/41/58/323174158.db2.gz KKRNNXSROOABQD-UHFFFAOYSA-N 1 2 241.298 1.555 20 0 BDADLO CC(C)(C)OCC[NH2+]Cc1csnn1 ZINC000308517108 323175220 /nfs/dbraw/zinc/17/52/20/323175220.db2.gz NDRNBOUKBIIBKN-UHFFFAOYSA-N 1 2 215.322 1.443 20 0 BDADLO C[C@H](CC(=O)N1CC2(C1)CCOC2)n1cc[nH+]c1 ZINC000563720316 323175504 /nfs/dbraw/zinc/17/55/04/323175504.db2.gz BNNRLXGMBFHUCJ-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cn1 ZINC000152411826 323181427 /nfs/dbraw/zinc/18/14/27/323181427.db2.gz UQEZPTGUMBEUIR-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cn1 ZINC000152411826 323181428 /nfs/dbraw/zinc/18/14/28/323181428.db2.gz UQEZPTGUMBEUIR-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529581669 323184428 /nfs/dbraw/zinc/18/44/28/323184428.db2.gz BKWFRGGTMIHRMM-UPJWGTAASA-N 1 2 247.342 1.826 20 0 BDADLO CC(=O)NC1CCC(N(C)c2cccc[nH+]2)CC1 ZINC000335110887 323184529 /nfs/dbraw/zinc/18/45/29/323184529.db2.gz BVFPDUCBHRGSRT-UHFFFAOYSA-N 1 2 247.342 1.965 20 0 BDADLO CC(C)[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000535718996 323189173 /nfs/dbraw/zinc/18/91/73/323189173.db2.gz HYCLRLMGUZLBEV-LLVKDONJSA-N 1 2 246.314 1.471 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCS2)c(C)c[nH+]1 ZINC000535748730 323190401 /nfs/dbraw/zinc/19/04/01/323190401.db2.gz YFVLBFIUXSIQQS-NSHDSACASA-N 1 2 236.340 1.954 20 0 BDADLO Cc1cc(NC(=O)c2ccco2)c(C)c[nH+]1 ZINC000536574280 323197916 /nfs/dbraw/zinc/19/79/16/323197916.db2.gz AJJOGUDSUPFBKM-UHFFFAOYSA-N 1 2 216.240 1.966 20 0 BDADLO CO[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575110 323198102 /nfs/dbraw/zinc/19/81/02/323198102.db2.gz NCLKXKCTBMSIBP-SECBINFHSA-N 1 2 208.261 1.094 20 0 BDADLO Cc1cc(NC(=O)NCCCF)c(C)c[nH+]1 ZINC000536620611 323198817 /nfs/dbraw/zinc/19/88/17/323198817.db2.gz DTAXZKALIIRTRE-UHFFFAOYSA-N 1 2 225.267 1.601 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2C[C@@H]2C)c(C)c[nH+]1 ZINC000536620760 323198819 /nfs/dbraw/zinc/19/88/19/323198819.db2.gz JDVJQLJCHSSCEP-GZMMTYOYSA-N 1 2 233.315 1.898 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2C[C@@H]2C)c(C)c[nH+]1 ZINC000536620763 323198900 /nfs/dbraw/zinc/19/89/00/323198900.db2.gz JDVJQLJCHSSCEP-KWQFWETISA-N 1 2 233.315 1.898 20 0 BDADLO Cc1cc(N2C[C@H](O)CC[C@H]2C)nc[nH+]1 ZINC000399245989 323201742 /nfs/dbraw/zinc/20/17/42/323201742.db2.gz IKSVNMXBMRBXTL-NXEZZACHSA-N 1 2 207.277 1.135 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)C1 ZINC000563897378 323205630 /nfs/dbraw/zinc/20/56/30/323205630.db2.gz WKZQDOBMFYVMNK-SECBINFHSA-N 1 2 207.277 1.067 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)C1 ZINC000563897378 323205631 /nfs/dbraw/zinc/20/56/31/323205631.db2.gz WKZQDOBMFYVMNK-SECBINFHSA-N 1 2 207.277 1.067 20 0 BDADLO CC[C@H]1CC[C@@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000563897608 323205646 /nfs/dbraw/zinc/20/56/46/323205646.db2.gz WPXZKHOZRJTXLS-MNOVXSKESA-N 1 2 235.331 1.752 20 0 BDADLO CC[C@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000563897609 323205658 /nfs/dbraw/zinc/20/56/58/323205658.db2.gz WPXZKHOZRJTXLS-QWRGUYRKSA-N 1 2 235.331 1.752 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1ccc[nH]1)n1cc[nH+]c1 ZINC000571807053 323484065 /nfs/dbraw/zinc/48/40/65/323484065.db2.gz SVFVYQJLUGEFKH-LLVKDONJSA-N 1 2 246.314 1.821 20 0 BDADLO c1ncn(-c2ccc(CNc3c[nH]c[nH+]3)cc2)n1 ZINC000571815997 323485474 /nfs/dbraw/zinc/48/54/74/323485474.db2.gz XJYHRQYJBQZUOD-UHFFFAOYSA-N 1 2 240.270 1.603 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CC[S@@](=O)C1 ZINC000527908221 323718174 /nfs/dbraw/zinc/71/81/74/323718174.db2.gz DKLKDUHXJPDOFL-ANRSDYALSA-N 1 2 226.301 1.023 20 0 BDADLO CCNC(=O)N1CC[NH+](C/C=C(\C)Cl)CC1 ZINC000528346575 323799882 /nfs/dbraw/zinc/79/98/82/323799882.db2.gz YLOQTNVRTMUXRA-ONNFQVAWSA-N 1 2 245.754 1.476 20 0 BDADLO C[C@@H](NC(=O)N1CC(C)(F)C1)c1[nH+]ccn1C ZINC000667250893 487961774 /nfs/dbraw/zinc/96/17/74/487961774.db2.gz YXSXWOFKVPFJGB-MRVPVSSYSA-N 1 2 240.282 1.235 20 0 BDADLO C[C@H](NC(=O)N1C[C@H](C)[C@@H]1C)c1[nH+]ccn1C ZINC000667248893 487961782 /nfs/dbraw/zinc/96/17/82/487961782.db2.gz IHIYQRAESRTIJX-GUBZILKMSA-N 1 2 236.319 1.531 20 0 BDADLO C[C@H](NC(=O)N1CC[C@@H](F)C1)c1[nH+]ccn1C ZINC000667248922 487961582 /nfs/dbraw/zinc/96/15/82/487961582.db2.gz IWMVUPVILRNERQ-DTWKUNHWSA-N 1 2 240.282 1.235 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)s1 ZINC000123086930 324080961 /nfs/dbraw/zinc/08/09/61/324080961.db2.gz SZFBWVJNKXXRRI-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO C[C@H]1CC[C@@H](C[NH+]=c2[nH]c3ccccc3[nH]2)O1 ZINC000398101900 324217942 /nfs/dbraw/zinc/21/79/42/324217942.db2.gz MYGXKUBPMZNQNZ-UWVGGRQHSA-N 1 2 231.299 1.964 20 0 BDADLO Cc1cocc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000529414411 324290196 /nfs/dbraw/zinc/29/01/96/324290196.db2.gz VSTWDESTCMWBGW-MRVPVSSYSA-N 1 2 219.244 1.802 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000529448431 324301586 /nfs/dbraw/zinc/30/15/86/324301586.db2.gz RZTMILWRPLHKNL-OASPWFOLSA-N 1 2 247.342 1.811 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccnn2)[nH+]1 ZINC000529455394 324304034 /nfs/dbraw/zinc/30/40/34/324304034.db2.gz BBFDQLKGWIXAJR-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO CC1C[NH+](Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000529558737 324341485 /nfs/dbraw/zinc/34/14/85/324341485.db2.gz SNHVCCICUVJCSH-UHFFFAOYSA-N 1 2 248.355 1.995 20 0 BDADLO c1coc(CC2C[NH+](Cc3cocn3)C2)c1 ZINC000529648724 324367153 /nfs/dbraw/zinc/36/71/53/324367153.db2.gz IOLFTCCLZIMRFV-UHFFFAOYSA-N 1 2 218.256 1.942 20 0 BDADLO CCC(C)(C)OC1C[NH+](Cc2cnn(C)c2)C1 ZINC000529642526 324369715 /nfs/dbraw/zinc/36/97/15/324369715.db2.gz VHABGZQOVQBOJT-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC=CC1 ZINC000529706693 324380107 /nfs/dbraw/zinc/38/01/07/324380107.db2.gz LPJMVZHAARFAKK-JTQLQIEISA-N 1 2 233.315 1.671 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC=CC1 ZINC000529706693 324380111 /nfs/dbraw/zinc/38/01/11/324380111.db2.gz LPJMVZHAARFAKK-JTQLQIEISA-N 1 2 233.315 1.671 20 0 BDADLO CO[C@H](C)CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541153998 324948200 /nfs/dbraw/zinc/94/82/00/324948200.db2.gz RWAPIYULMUNQQJ-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)CC[S@@](C)=O ZINC000230102507 325003930 /nfs/dbraw/zinc/00/39/30/325003930.db2.gz MXIDIMROGHJSRB-JDNHERCYSA-N 1 2 242.344 1.659 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000130046443 325007579 /nfs/dbraw/zinc/00/75/79/325007579.db2.gz GPDPFGFWQKZODR-DTORHVGOSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000130046443 325007581 /nfs/dbraw/zinc/00/75/81/325007581.db2.gz GPDPFGFWQKZODR-DTORHVGOSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)N(C)C ZINC000130483138 325057441 /nfs/dbraw/zinc/05/74/41/325057441.db2.gz PCIKTODYXWFGKT-HTQZYQBOSA-N 1 2 227.333 1.270 20 0 BDADLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1F ZINC000130504643 325058890 /nfs/dbraw/zinc/05/88/90/325058890.db2.gz NGQOWMHZAWGMPL-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C12CCC(CC1)C2 ZINC000543282063 325079528 /nfs/dbraw/zinc/07/95/28/325079528.db2.gz XZSBOTVCUPRVPL-UHFFFAOYSA-N 1 2 219.288 1.606 20 0 BDADLO CCC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000131136205 325120983 /nfs/dbraw/zinc/12/09/83/325120983.db2.gz YBDCTLPBRFNCLS-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CCO1 ZINC000131136205 325120980 /nfs/dbraw/zinc/12/09/80/325120980.db2.gz YBDCTLPBRFNCLS-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N1CC(F)C1 ZINC000544244076 325135709 /nfs/dbraw/zinc/13/57/09/325135709.db2.gz HEPCTDHQELRMQS-UHFFFAOYSA-N 1 2 240.282 1.027 20 0 BDADLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ncnn2C)cn1 ZINC000544467904 325144467 /nfs/dbraw/zinc/14/44/67/325144467.db2.gz FEUZTGORPQHYRP-SNVBAGLBSA-N 1 2 248.334 1.443 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000074448537 325246366 /nfs/dbraw/zinc/24/63/66/325246366.db2.gz IAFIRJMKXFCHJW-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO CNC(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000074448537 325246370 /nfs/dbraw/zinc/24/63/70/325246370.db2.gz IAFIRJMKXFCHJW-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO O=C1CCc2ccc(NCc3[nH]cc[nH+]3)cc2N1 ZINC000132834315 325248096 /nfs/dbraw/zinc/24/80/96/325248096.db2.gz WWAIOVSKFQKXEQ-UHFFFAOYSA-N 1 2 242.282 1.907 20 0 BDADLO CCOC(=O)CCC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000547298847 325336405 /nfs/dbraw/zinc/33/64/05/325336405.db2.gz BUUZXCNGSURHKZ-LLVKDONJSA-N 1 2 245.319 1.117 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000134494821 325361437 /nfs/dbraw/zinc/36/14/37/325361437.db2.gz OSPDDKCOMFYVRH-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO O=C(CCc1ccco1)NCCc1[nH]cc[nH+]1 ZINC000134494712 325361502 /nfs/dbraw/zinc/36/15/02/325361502.db2.gz HVGIXUKXXGLFSP-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCC(C)C ZINC000134884675 325380943 /nfs/dbraw/zinc/38/09/43/325380943.db2.gz FRKMAFXBUVYQNF-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCC(C)C ZINC000134884675 325380944 /nfs/dbraw/zinc/38/09/44/325380944.db2.gz FRKMAFXBUVYQNF-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)oc1C ZINC000134916756 325382788 /nfs/dbraw/zinc/38/27/88/325382788.db2.gz MAJQTYKFYFTZBE-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CCN(CC)c1ccc(CNC(N)=O)c[nH+]1 ZINC000077629115 325385510 /nfs/dbraw/zinc/38/55/10/325385510.db2.gz PSKJMIHGOSHASD-UHFFFAOYSA-N 1 2 222.292 1.096 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000547770110 325392037 /nfs/dbraw/zinc/39/20/37/325392037.db2.gz KBQGRPWXEVBGCZ-YIZRAAEISA-N 1 2 225.292 1.760 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000547770110 325392038 /nfs/dbraw/zinc/39/20/38/325392038.db2.gz KBQGRPWXEVBGCZ-YIZRAAEISA-N 1 2 225.292 1.760 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nccc(N)n1 ZINC000135087786 325392397 /nfs/dbraw/zinc/39/23/97/325392397.db2.gz SLLYFTNWHWTNEI-BDAKNGLRSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nccc(N)n1 ZINC000135087786 325392398 /nfs/dbraw/zinc/39/23/98/325392398.db2.gz SLLYFTNWHWTNEI-BDAKNGLRSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000547769172 325394881 /nfs/dbraw/zinc/39/48/81/325394881.db2.gz FICUICUSOPRAFI-KBVBSXBZSA-N 1 2 236.290 1.835 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](COC)C(C)C)C(=O)OC ZINC000135230370 325401338 /nfs/dbraw/zinc/40/13/38/325401338.db2.gz UYYGBLBFBDSYSA-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CCCC[C@H]([NH2+]CCCF)C(=O)OC ZINC000135251558 325402737 /nfs/dbraw/zinc/40/27/37/325402737.db2.gz IMNKEEQPRDGAOD-VIFPVBQESA-N 1 2 205.273 1.667 20 0 BDADLO CC1(C)CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC000548058138 325425641 /nfs/dbraw/zinc/42/56/41/325425641.db2.gz JPOQVSDRIAPHLG-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@](C)(OC)C1(C)C)C(=O)OC ZINC000248712035 325618079 /nfs/dbraw/zinc/61/80/79/325618079.db2.gz CUFABOFNFQRCIC-KWBADKCTSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC12CCC2 ZINC000552414842 325633849 /nfs/dbraw/zinc/63/38/49/325633849.db2.gz ZKOACHCPFVGUNR-GFCCVEGCSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1cc(N2CC[C@H](O)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000253146749 325712084 /nfs/dbraw/zinc/71/20/84/325712084.db2.gz ZBMDGWUZILSVSS-CABZTGNLSA-N 1 2 247.342 1.870 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000554369445 325716140 /nfs/dbraw/zinc/71/61/40/325716140.db2.gz GGPZKBJHWSCVPY-NEPJUHHUSA-N 1 2 246.310 1.753 20 0 BDADLO CCC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000555228103 325750318 /nfs/dbraw/zinc/75/03/18/325750318.db2.gz DONULNITJOUCOP-GFCCVEGCSA-N 1 2 235.331 1.922 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000564531377 325795057 /nfs/dbraw/zinc/79/50/57/325795057.db2.gz JKMWRCPMMPPMQQ-WCQYABFASA-N 1 2 249.358 1.905 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566241681 326021949 /nfs/dbraw/zinc/02/19/49/326021949.db2.gz HRFFJOINEBVPNP-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000566241681 326021952 /nfs/dbraw/zinc/02/19/52/326021952.db2.gz HRFFJOINEBVPNP-GFCCVEGCSA-N 1 2 223.320 1.717 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccn[nH]1 ZINC000566304625 326028870 /nfs/dbraw/zinc/02/88/70/326028870.db2.gz PTNRKYJXQATBAI-MWLCHTKSSA-N 1 2 211.309 1.296 20 0 BDADLO CC(C)(NC(=O)C[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000566363992 326037588 /nfs/dbraw/zinc/03/75/88/326037588.db2.gz DVLAZMSAGCXQKT-SECBINFHSA-N 1 2 237.303 1.188 20 0 BDADLO CN(C)C(=O)CCC[N@@H+]1CCC(F)(F)C1 ZINC000566417070 326042842 /nfs/dbraw/zinc/04/28/42/326042842.db2.gz RAURTMKYHFOJGC-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO CN(C)C(=O)CCC[N@H+]1CCC(F)(F)C1 ZINC000566417070 326042844 /nfs/dbraw/zinc/04/28/44/326042844.db2.gz RAURTMKYHFOJGC-UHFFFAOYSA-N 1 2 220.263 1.196 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C)C1 ZINC000566446839 326048688 /nfs/dbraw/zinc/04/86/88/326048688.db2.gz PCRWKAYUIOEWFS-KYHHOPLUSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C)C1 ZINC000566446839 326048689 /nfs/dbraw/zinc/04/86/89/326048689.db2.gz PCRWKAYUIOEWFS-KYHHOPLUSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)C[C@@H]1F)c1[nH]cc[nH+]1 ZINC000566471030 326052576 /nfs/dbraw/zinc/05/25/76/326052576.db2.gz QSVHQKZAAPFDFI-MATHAZKKSA-N 1 2 211.240 1.335 20 0 BDADLO CN(C[C@@H]1CC=CCC1)C(=O)Cn1cc[nH+]c1 ZINC000566762351 326080816 /nfs/dbraw/zinc/08/08/16/326080816.db2.gz MHVBLWMLRPLYDB-GFCCVEGCSA-N 1 2 233.315 1.698 20 0 BDADLO CCn1ccnc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566805872 326085117 /nfs/dbraw/zinc/08/51/17/326085117.db2.gz LJWNIQPUQSMPLW-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO CCn1ccnc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566805872 326085120 /nfs/dbraw/zinc/08/51/20/326085120.db2.gz LJWNIQPUQSMPLW-VIFPVBQESA-N 1 2 247.302 1.443 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC1=CCCC1 ZINC000566866497 326090115 /nfs/dbraw/zinc/09/01/15/326090115.db2.gz NLPBTULRCQGRFI-UHFFFAOYSA-N 1 2 234.303 1.402 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC1=CCCC1 ZINC000566866497 326090117 /nfs/dbraw/zinc/09/01/17/326090117.db2.gz NLPBTULRCQGRFI-UHFFFAOYSA-N 1 2 234.303 1.402 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCCc1ccccn1 ZINC000567062143 326109604 /nfs/dbraw/zinc/10/96/04/326109604.db2.gz UEYZZPGXMBOSKD-UHFFFAOYSA-N 1 2 242.326 1.955 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000154031796 326126123 /nfs/dbraw/zinc/12/61/23/326126123.db2.gz PHTHUNZKNIQLRE-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000154031796 326126125 /nfs/dbraw/zinc/12/61/25/326126125.db2.gz PHTHUNZKNIQLRE-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CCn1ccnc1CNc1ccc(CO)c[nH+]1 ZINC000567434662 326189873 /nfs/dbraw/zinc/18/98/73/326189873.db2.gz BWQJMFJZTVVFDG-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C[C@@H]1O ZINC000567484590 326201939 /nfs/dbraw/zinc/20/19/39/326201939.db2.gz UGYIRILIJYGASA-BDAKNGLRSA-N 1 2 237.303 1.196 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000156821723 326243417 /nfs/dbraw/zinc/24/34/17/326243417.db2.gz DRQWAQKQDVUUND-YPMHNXCESA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cccnc1 ZINC000156821723 326243418 /nfs/dbraw/zinc/24/34/18/326243418.db2.gz DRQWAQKQDVUUND-YPMHNXCESA-N 1 2 236.315 1.053 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+](C)[C@H]1CC1(C)C ZINC000567770650 326256797 /nfs/dbraw/zinc/25/67/97/326256797.db2.gz CKBALDKEVLIIOJ-JTQLQIEISA-N 1 2 234.347 1.923 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000567770650 326256798 /nfs/dbraw/zinc/25/67/98/326256798.db2.gz CKBALDKEVLIIOJ-JTQLQIEISA-N 1 2 234.347 1.923 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC2(CCC2)C1 ZINC000567943541 326286420 /nfs/dbraw/zinc/28/64/20/326286420.db2.gz OQSDXXNSTXLEOV-LLVKDONJSA-N 1 2 247.342 1.968 20 0 BDADLO C[C@@H](CC(=O)N(C)c1cnn(C)c1)n1cc[nH+]c1 ZINC000567993259 326293254 /nfs/dbraw/zinc/29/32/54/326293254.db2.gz JIDQFYMYLNZNFO-JTQLQIEISA-N 1 2 247.302 1.231 20 0 BDADLO C[C@H]1CSCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000568202716 326325680 /nfs/dbraw/zinc/32/56/80/326325680.db2.gz UPKKJGDUWHQVJO-JTQLQIEISA-N 1 2 242.388 1.292 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](F)C1 ZINC000568222878 326328941 /nfs/dbraw/zinc/32/89/41/326328941.db2.gz DYBTXZGEBNIDHZ-ZJUUUORDSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](F)C1 ZINC000568222878 326328943 /nfs/dbraw/zinc/32/89/43/326328943.db2.gz DYBTXZGEBNIDHZ-ZJUUUORDSA-N 1 2 239.294 1.549 20 0 BDADLO CC[C@@H](C)[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568782242 326377469 /nfs/dbraw/zinc/37/74/69/326377469.db2.gz KFSKRLCOTOGXLV-MFKMUULPSA-N 1 2 237.347 1.724 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCO[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000568816849 326377885 /nfs/dbraw/zinc/37/78/85/326377885.db2.gz UZKYHWZPPGXADX-IVZWLZJFSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cnn(C)c1 ZINC000568801191 326377949 /nfs/dbraw/zinc/37/79/49/326377949.db2.gz AYVFFBDWKOYEIR-QMMMGPOBSA-N 1 2 246.318 1.266 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC1(C)C ZINC000569034681 326387601 /nfs/dbraw/zinc/38/76/01/326387601.db2.gz HOFCHXKYCWUVFQ-NSHDSACASA-N 1 2 235.331 1.658 20 0 BDADLO COc1ccc[nH+]c1NCC(C)(C)OC ZINC000159266087 326393770 /nfs/dbraw/zinc/39/37/70/326393770.db2.gz DDWOTHGAMVUVBT-UHFFFAOYSA-N 1 2 210.277 1.927 20 0 BDADLO O=C(Cc1ccoc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147399 487972325 /nfs/dbraw/zinc/97/23/25/487972325.db2.gz MNUOIBABTUIODS-NSHDSACASA-N 1 2 245.282 1.150 20 0 BDADLO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ncon1 ZINC001172745349 974918487 /nfs/dbraw/zinc/91/84/87/974918487.db2.gz CVTWTWBGXYOUPQ-SECBINFHSA-N 1 2 241.291 1.280 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CC=CC1 ZINC000672147607 487973996 /nfs/dbraw/zinc/97/39/96/487973996.db2.gz RBARGVSNMWANRU-NSHDSACASA-N 1 2 231.299 1.280 20 0 BDADLO CCc1ccc([C@@H](C)[NH2+]Cc2cn(C)nn2)o1 ZINC000679994702 487974973 /nfs/dbraw/zinc/97/49/73/487974973.db2.gz ZTZJQQLBTKGJLN-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000682531458 487978228 /nfs/dbraw/zinc/97/82/28/487978228.db2.gz IUWPHRZOTJOSJA-BQBZGAKWSA-N 1 2 249.240 1.155 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000682531458 487978231 /nfs/dbraw/zinc/97/82/31/487978231.db2.gz IUWPHRZOTJOSJA-BQBZGAKWSA-N 1 2 249.240 1.155 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1=CCCC1 ZINC000672147683 487978364 /nfs/dbraw/zinc/97/83/64/487978364.db2.gz UDWYAAKCYJMODA-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2c[nH]nc2C1)CC(F)(F)F ZINC000682532441 487978538 /nfs/dbraw/zinc/97/85/38/487978538.db2.gz WTHTWLRMCBJASV-MRVPVSSYSA-N 1 2 249.236 1.081 20 0 BDADLO O[C@@H](C[N@H+]1CCc2c[nH]nc2C1)CC(F)(F)F ZINC000682532441 487978540 /nfs/dbraw/zinc/97/85/40/487978540.db2.gz WTHTWLRMCBJASV-MRVPVSSYSA-N 1 2 249.236 1.081 20 0 BDADLO COC(C)(C)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682534032 487979899 /nfs/dbraw/zinc/97/98/99/487979899.db2.gz HSTXCSJSZPGTFB-VIFPVBQESA-N 1 2 237.290 1.503 20 0 BDADLO COC(C)(C)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682534032 487979901 /nfs/dbraw/zinc/97/99/01/487979901.db2.gz HSTXCSJSZPGTFB-VIFPVBQESA-N 1 2 237.290 1.503 20 0 BDADLO O[C@@H]1C[N@H+](CC[C@H]2CCCO2)CC(F)(F)C1 ZINC000682542731 487980569 /nfs/dbraw/zinc/98/05/69/487980569.db2.gz IIKBWMOUHRWYIJ-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC(F)(F)C1 ZINC000682542731 487980574 /nfs/dbraw/zinc/98/05/74/487980574.db2.gz IIKBWMOUHRWYIJ-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccccn1 ZINC000653612230 487982167 /nfs/dbraw/zinc/98/21/67/487982167.db2.gz FAFZCMPGESUSEX-UWVGGRQHSA-N 1 2 243.314 1.866 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccco1 ZINC000093384244 487982633 /nfs/dbraw/zinc/98/26/33/487982633.db2.gz DSUVRNARCZJFJM-VIFPVBQESA-N 1 2 231.317 1.145 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccco1 ZINC000093384244 487982639 /nfs/dbraw/zinc/98/26/39/487982639.db2.gz DSUVRNARCZJFJM-VIFPVBQESA-N 1 2 231.317 1.145 20 0 BDADLO O[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CC(F)(F)C1 ZINC000682545141 487983767 /nfs/dbraw/zinc/98/37/67/487983767.db2.gz ASLVQRNOGNLCPH-MNOVXSKESA-N 1 2 249.301 1.648 20 0 BDADLO O[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC(F)(F)C1 ZINC000682545141 487983770 /nfs/dbraw/zinc/98/37/70/487983770.db2.gz ASLVQRNOGNLCPH-MNOVXSKESA-N 1 2 249.301 1.648 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2cncs2)C[C@H]1C ZINC000677183431 487993168 /nfs/dbraw/zinc/99/31/68/487993168.db2.gz SMTGOOKIGXJSAB-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2cncs2)C[C@H]1C ZINC000677183431 487993171 /nfs/dbraw/zinc/99/31/71/487993171.db2.gz SMTGOOKIGXJSAB-SECBINFHSA-N 1 2 239.344 1.309 20 0 BDADLO CC(C)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666038547 487993205 /nfs/dbraw/zinc/99/32/05/487993205.db2.gz RNJGCHPAULMRCE-VIFPVBQESA-N 1 2 221.304 1.381 20 0 BDADLO CC(C)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666038547 487993210 /nfs/dbraw/zinc/99/32/10/487993210.db2.gz RNJGCHPAULMRCE-VIFPVBQESA-N 1 2 221.304 1.381 20 0 BDADLO O=C(CCCc1cccnc1)NCc1[nH]cc[nH+]1 ZINC000668603405 487995663 /nfs/dbraw/zinc/99/56/63/487995663.db2.gz DZRKDHHZGMTVJE-UHFFFAOYSA-N 1 2 244.298 1.444 20 0 BDADLO O=C(Cc1cc(C2CC2)no1)NCc1[nH]cc[nH+]1 ZINC000668604355 487997407 /nfs/dbraw/zinc/99/74/07/487997407.db2.gz OMFLGVDNLAABMN-UHFFFAOYSA-N 1 2 246.270 1.134 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(OC)ns1 ZINC000659932151 488005692 /nfs/dbraw/zinc/00/56/92/488005692.db2.gz AVKFLEXGEKSULT-SECBINFHSA-N 1 2 242.344 1.763 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cc(OC)ns1 ZINC000659932151 488005698 /nfs/dbraw/zinc/00/56/98/488005698.db2.gz AVKFLEXGEKSULT-SECBINFHSA-N 1 2 242.344 1.763 20 0 BDADLO CCN1OC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1=O ZINC000682675617 488008581 /nfs/dbraw/zinc/00/85/81/488008581.db2.gz KYVSEUJQQBTALP-ZDUSSCGKSA-N 1 2 248.326 1.589 20 0 BDADLO CCN1OC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1=O ZINC000682675617 488008584 /nfs/dbraw/zinc/00/85/84/488008584.db2.gz KYVSEUJQQBTALP-ZDUSSCGKSA-N 1 2 248.326 1.589 20 0 BDADLO Cc1cn(C)nc1NC(=O)Nc1cc[nH+]cc1C ZINC000666493454 488025856 /nfs/dbraw/zinc/02/58/56/488025856.db2.gz FFWIFMNFVNQCIK-UHFFFAOYSA-N 1 2 245.286 1.498 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000682760085 488031656 /nfs/dbraw/zinc/03/16/56/488031656.db2.gz NVSUXRRGYPSNPM-RYUDHWBXSA-N 1 2 239.315 1.814 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000682760085 488031660 /nfs/dbraw/zinc/03/16/60/488031660.db2.gz NVSUXRRGYPSNPM-RYUDHWBXSA-N 1 2 239.315 1.814 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667531044 488038691 /nfs/dbraw/zinc/03/86/91/488038691.db2.gz ULJKANHWKRGKOT-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CC1(C)C[N@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667531044 488038684 /nfs/dbraw/zinc/03/86/84/488038684.db2.gz ULJKANHWKRGKOT-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494211584 533718784 /nfs/dbraw/zinc/71/87/84/533718784.db2.gz HKWNHNIGWYMEEO-IUCAKERBSA-N 1 2 239.331 1.687 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494211584 533718793 /nfs/dbraw/zinc/71/87/93/533718793.db2.gz HKWNHNIGWYMEEO-IUCAKERBSA-N 1 2 239.331 1.687 20 0 BDADLO CC(C)(C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682455384 488046192 /nfs/dbraw/zinc/04/61/92/488046192.db2.gz XNXZJEJQXWYPMK-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CO[C@@]1(CO)CCC[N@@H+](Cc2nccs2)C1 ZINC000401711891 488052144 /nfs/dbraw/zinc/05/21/44/488052144.db2.gz IPHXYYJUEFYUPE-NSHDSACASA-N 1 2 242.344 1.116 20 0 BDADLO CO[C@@]1(CO)CCC[N@H+](Cc2nccs2)C1 ZINC000401711891 488052135 /nfs/dbraw/zinc/05/21/35/488052135.db2.gz IPHXYYJUEFYUPE-NSHDSACASA-N 1 2 242.344 1.116 20 0 BDADLO FC(F)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000147711447 488053098 /nfs/dbraw/zinc/05/30/98/488053098.db2.gz NMLIHRIUOZUUOB-UHFFFAOYSA-N 1 2 211.215 1.918 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)NCC1CCC1 ZINC000670077837 488055646 /nfs/dbraw/zinc/05/56/46/488055646.db2.gz BGPCUFIBPGICML-UHFFFAOYSA-N 1 2 248.330 1.491 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c2ccccc21)C(=O)N(C)C ZINC000682952661 488071471 /nfs/dbraw/zinc/07/14/71/488071471.db2.gz XCMSPUGZQVMMKI-VIFPVBQESA-N 1 2 246.314 1.129 20 0 BDADLO CCC(CC)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000677600539 488082718 /nfs/dbraw/zinc/08/27/18/488082718.db2.gz MLNJZPHYIJXZGT-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO CCC[N@@H+]1CC[C@H](Nc2nc(C)ns2)C1 ZINC000389241355 488083810 /nfs/dbraw/zinc/08/38/10/488083810.db2.gz KUTVTOIVMAHDBE-VIFPVBQESA-N 1 2 226.349 1.165 20 0 BDADLO CCC[N@H+]1CC[C@H](Nc2nc(C)ns2)C1 ZINC000389241355 488083814 /nfs/dbraw/zinc/08/38/14/488083814.db2.gz KUTVTOIVMAHDBE-VIFPVBQESA-N 1 2 226.349 1.165 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC=CCC1 ZINC000683022434 488098017 /nfs/dbraw/zinc/09/80/17/488098017.db2.gz UUEKEZYCWBEDQE-SECBINFHSA-N 1 2 219.292 1.331 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC=CCC1 ZINC000683022434 488098022 /nfs/dbraw/zinc/09/80/22/488098022.db2.gz UUEKEZYCWBEDQE-SECBINFHSA-N 1 2 219.292 1.331 20 0 BDADLO CCn1ccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)n1 ZINC000667718948 488101416 /nfs/dbraw/zinc/10/14/16/488101416.db2.gz QBHGBSRZUULZAK-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO CCn1ccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)n1 ZINC000667718948 488101420 /nfs/dbraw/zinc/10/14/20/488101420.db2.gz QBHGBSRZUULZAK-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@@H]1C(F)(F)F ZINC000677724627 488102875 /nfs/dbraw/zinc/10/28/75/488102875.db2.gz MZOBFGKUHWBBIO-SECBINFHSA-N 1 2 249.236 1.183 20 0 BDADLO CC[C@@]1([NH2+]Cc2noc(C(C)C)n2)CCOC1 ZINC000683041333 488103034 /nfs/dbraw/zinc/10/30/34/488103034.db2.gz JFIIZYPTSRRFOG-GFCCVEGCSA-N 1 2 239.319 1.852 20 0 BDADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cn[nH]c2)[nH]1 ZINC000683079158 488106165 /nfs/dbraw/zinc/10/61/65/488106165.db2.gz MHWTXEMBAVWOSC-IUCAKERBSA-N 1 2 248.334 1.892 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000683108941 488107470 /nfs/dbraw/zinc/10/74/70/488107470.db2.gz ATNMMPDOOGCOAH-HLTSFMKQSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC000683108941 488107473 /nfs/dbraw/zinc/10/74/73/488107473.db2.gz ATNMMPDOOGCOAH-HLTSFMKQSA-N 1 2 205.248 1.344 20 0 BDADLO FC(F)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000677732078 488109617 /nfs/dbraw/zinc/10/96/17/488109617.db2.gz YFCVXLWNXJENIC-SNVBAGLBSA-N 1 2 249.301 1.769 20 0 BDADLO O[C@H]1C[N@H+](CCc2ccccc2)CC(F)(F)C1 ZINC000682545031 488111757 /nfs/dbraw/zinc/11/17/57/488111757.db2.gz ZDYYRXSBYOHNRJ-GFCCVEGCSA-N 1 2 241.281 1.931 20 0 BDADLO O[C@H]1C[N@@H+](CCc2ccccc2)CC(F)(F)C1 ZINC000682545031 488111760 /nfs/dbraw/zinc/11/17/60/488111760.db2.gz ZDYYRXSBYOHNRJ-GFCCVEGCSA-N 1 2 241.281 1.931 20 0 BDADLO CC(C)OCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548381 488117678 /nfs/dbraw/zinc/11/76/78/488117678.db2.gz ZOKAUUZSRSMBHO-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548381 488117682 /nfs/dbraw/zinc/11/76/82/488117682.db2.gz ZOKAUUZSRSMBHO-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000685843094 488123331 /nfs/dbraw/zinc/12/33/31/488123331.db2.gz LJOYRXSBJGMFLD-SCZZXKLOSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000685843094 488123333 /nfs/dbraw/zinc/12/33/33/488123333.db2.gz LJOYRXSBJGMFLD-SCZZXKLOSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000685843094 488123338 /nfs/dbraw/zinc/12/33/38/488123338.db2.gz LJOYRXSBJGMFLD-SCZZXKLOSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000685843094 488123343 /nfs/dbraw/zinc/12/33/43/488123343.db2.gz LJOYRXSBJGMFLD-SCZZXKLOSA-N 1 2 211.284 1.898 20 0 BDADLO COC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000526006596 487539346 /nfs/dbraw/zinc/53/93/46/487539346.db2.gz CORAIDYAVIACSI-NSHDSACASA-N 1 2 239.319 1.130 20 0 BDADLO COC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000526006596 487539353 /nfs/dbraw/zinc/53/93/53/487539353.db2.gz CORAIDYAVIACSI-NSHDSACASA-N 1 2 239.319 1.130 20 0 BDADLO COC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000526006595 487539430 /nfs/dbraw/zinc/53/94/30/487539430.db2.gz CORAIDYAVIACSI-LLVKDONJSA-N 1 2 239.319 1.130 20 0 BDADLO COC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000526006595 487539434 /nfs/dbraw/zinc/53/94/34/487539434.db2.gz CORAIDYAVIACSI-LLVKDONJSA-N 1 2 239.319 1.130 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000276470307 487540522 /nfs/dbraw/zinc/54/05/22/487540522.db2.gz QHKIIOZMYSDVHZ-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000276470307 487540526 /nfs/dbraw/zinc/54/05/26/487540526.db2.gz QHKIIOZMYSDVHZ-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC=CC1 ZINC000655222677 487544025 /nfs/dbraw/zinc/54/40/25/487544025.db2.gz FMTNDQMBONGHFE-NSHDSACASA-N 1 2 245.326 1.670 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668791490 487545244 /nfs/dbraw/zinc/54/52/44/487545244.db2.gz NARTZDAYTJSSMA-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCc3n[nH]nc3C2)cn1 ZINC000668791490 487545250 /nfs/dbraw/zinc/54/52/50/487545250.db2.gz NARTZDAYTJSSMA-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000685565804 487549068 /nfs/dbraw/zinc/54/90/68/487549068.db2.gz VTOIUJKUJSETEW-PHIMTYICSA-N 1 2 222.288 1.655 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000685565804 487549070 /nfs/dbraw/zinc/54/90/70/487549070.db2.gz VTOIUJKUJSETEW-PHIMTYICSA-N 1 2 222.288 1.655 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000685573137 487554106 /nfs/dbraw/zinc/55/41/06/487554106.db2.gz HQWGEWXSWUVEBQ-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000685573137 487554113 /nfs/dbraw/zinc/55/41/13/487554113.db2.gz HQWGEWXSWUVEBQ-ZDUSSCGKSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000408463493 487554320 /nfs/dbraw/zinc/55/43/20/487554320.db2.gz CSMBNTJWQRFIEP-RKDXNWHRSA-N 1 2 224.308 1.142 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000408463493 487554326 /nfs/dbraw/zinc/55/43/26/487554326.db2.gz CSMBNTJWQRFIEP-RKDXNWHRSA-N 1 2 224.308 1.142 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1csnn1 ZINC000668240937 487532833 /nfs/dbraw/zinc/53/28/33/487532833.db2.gz XBTCSHYRRWBUDF-ARENWVFISA-N 1 2 239.344 1.756 20 0 BDADLO Cc1cc(N2CCCC[C@H]2[C@H](C)CO)nc[nH+]1 ZINC000664266437 487476294 /nfs/dbraw/zinc/47/62/94/487476294.db2.gz HJNFRXRTAFVCRR-PWSUYJOCSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1C[C@@H]1C)CC2 ZINC000679892503 487481624 /nfs/dbraw/zinc/48/16/24/487481624.db2.gz ZDRRQRSHKUFAKQ-ONGXEEELSA-N 1 2 248.330 1.373 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CC[C@@H](C)C1)CC2 ZINC000679894463 487482821 /nfs/dbraw/zinc/48/28/21/487482821.db2.gz XSKQYVISDHWIOS-ZYHUDNBSSA-N 1 2 247.342 1.970 20 0 BDADLO CN(CC(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668225331 487484399 /nfs/dbraw/zinc/48/43/99/487484399.db2.gz KBQFHRTZTIMMCZ-HTQZYQBOSA-N 1 2 243.257 1.247 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cnc(C2CC2)s1 ZINC000673916082 487477612 /nfs/dbraw/zinc/47/76/12/487477612.db2.gz UMKIYBOCVWVKHU-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cnc(C2CC2)s1 ZINC000673916082 487477618 /nfs/dbraw/zinc/47/76/18/487477618.db2.gz UMKIYBOCVWVKHU-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO Cc1nc(C(=O)Nc2ccn3cc[nH+]c3c2)c[nH]1 ZINC000670435414 487486545 /nfs/dbraw/zinc/48/65/45/487486545.db2.gz VRFJUJMSQYZDAQ-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO C[C@@H]([NH2+]Cc1ccno1)c1cscn1 ZINC000231881011 487486925 /nfs/dbraw/zinc/48/69/25/487486925.db2.gz JGSDMZATKWTTEV-SSDOTTSWSA-N 1 2 209.274 1.982 20 0 BDADLO CSCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000402168833 970763346 /nfs/dbraw/zinc/76/33/46/970763346.db2.gz VRDHBRXPYMEBAG-UHFFFAOYSA-N 1 2 239.344 1.254 20 0 BDADLO CCc1nocc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668759731 487494033 /nfs/dbraw/zinc/49/40/33/487494033.db2.gz MNJLSQJSXARCCM-UHFFFAOYSA-N 1 2 246.270 1.131 20 0 BDADLO CCOC1C[NH+](Cc2cnn3c2CCC3)C1 ZINC000668230923 487495524 /nfs/dbraw/zinc/49/55/24/487495524.db2.gz DOTQCKWBUFWMSF-UHFFFAOYSA-N 1 2 221.304 1.050 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+](C)Cc1nnc[nH]1 ZINC000679989900 487511067 /nfs/dbraw/zinc/51/10/67/487511067.db2.gz NZYHMUABHHAJSR-SECBINFHSA-N 1 2 236.344 1.929 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1nnc[nH]1 ZINC000679989900 487511072 /nfs/dbraw/zinc/51/10/72/487511072.db2.gz NZYHMUABHHAJSR-SECBINFHSA-N 1 2 236.344 1.929 20 0 BDADLO CC1(CO)C[NH+](Cc2ccnn2CC2CC2)C1 ZINC000668234028 487509021 /nfs/dbraw/zinc/50/90/21/487509021.db2.gz XAMQEZDJCYOFRT-UHFFFAOYSA-N 1 2 235.331 1.107 20 0 BDADLO CCCCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220529673 487514768 /nfs/dbraw/zinc/51/47/68/487514768.db2.gz GOCUIWIDJRNCHB-SNVBAGLBSA-N 1 2 235.331 1.821 20 0 BDADLO CCCCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220529673 487514771 /nfs/dbraw/zinc/51/47/71/487514771.db2.gz GOCUIWIDJRNCHB-SNVBAGLBSA-N 1 2 235.331 1.821 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CCC2 ZINC000675296701 487517245 /nfs/dbraw/zinc/51/72/45/487517245.db2.gz PYBBRJYLJZNIIJ-WDEREUQCSA-N 1 2 233.315 1.578 20 0 BDADLO CC[C@@H](F)C[NH2+][C@H](C)c1nncn1C ZINC000336664305 487517430 /nfs/dbraw/zinc/51/74/30/487517430.db2.gz UQXUDSQIFIMJJE-HTQZYQBOSA-N 1 2 200.261 1.214 20 0 BDADLO Cc1cccc(NC(=O)[C@H]2CSC[NH2+]2)c1O ZINC000086555960 487518311 /nfs/dbraw/zinc/51/83/11/487518311.db2.gz WCTUGWDCQSKNFL-SECBINFHSA-N 1 2 238.312 1.302 20 0 BDADLO CCN1CC[N@H+](Cc2ncccc2O)[C@H](C)C1 ZINC000685440087 487523546 /nfs/dbraw/zinc/52/35/46/487523546.db2.gz RWLGXBGWYPLPKE-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CCN1CC[N@@H+](Cc2ncccc2O)[C@H](C)C1 ZINC000685440087 487523551 /nfs/dbraw/zinc/52/35/51/487523551.db2.gz RWLGXBGWYPLPKE-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CCc1nnc(C[N@H+](CC)CCOC)s1 ZINC000680046103 487526532 /nfs/dbraw/zinc/52/65/32/487526532.db2.gz GCZHBXLZUCOQKF-UHFFFAOYSA-N 1 2 229.349 1.569 20 0 BDADLO CCc1nnc(C[N@@H+](CC)CCOC)s1 ZINC000680046103 487526533 /nfs/dbraw/zinc/52/65/33/487526533.db2.gz GCZHBXLZUCOQKF-UHFFFAOYSA-N 1 2 229.349 1.569 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@H]2F)nn1 ZINC000339590028 488159744 /nfs/dbraw/zinc/15/97/44/488159744.db2.gz MSCFQPCFPXNNCZ-GHMZBOCLSA-N 1 2 226.299 1.839 20 0 BDADLO C[C@H]([C@H](C)O)n1cc[nH+]c1-c1ccncc1 ZINC000531039161 488160891 /nfs/dbraw/zinc/16/08/91/488160891.db2.gz NJBQCCFNJVQXCO-ZJUUUORDSA-N 1 2 217.272 1.887 20 0 BDADLO O=C1NCCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000665740890 487690643 /nfs/dbraw/zinc/69/06/43/487690643.db2.gz QOFXQHZLOCXKAS-SNVBAGLBSA-N 1 2 246.314 1.292 20 0 BDADLO NC(=O)[C@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000651412597 487733149 /nfs/dbraw/zinc/73/31/49/487733149.db2.gz ZMEUGHKMEFQEOT-PHIMTYICSA-N 1 2 241.294 1.333 20 0 BDADLO CCC[C@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000676335359 487839835 /nfs/dbraw/zinc/83/98/35/487839835.db2.gz BBYKRUIKLQBRHW-ZDUSSCGKSA-N 1 2 247.298 1.824 20 0 BDADLO CC1=CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000667252552 487974320 /nfs/dbraw/zinc/97/43/20/487974320.db2.gz JRAXQIDOQQBCQT-NSHDSACASA-N 1 2 248.330 1.843 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220543903 487988866 /nfs/dbraw/zinc/98/88/66/487988866.db2.gz VAGUAXPTMMNORQ-SSDOTTSWSA-N 1 2 248.311 1.610 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220543903 487988870 /nfs/dbraw/zinc/98/88/70/487988870.db2.gz VAGUAXPTMMNORQ-SSDOTTSWSA-N 1 2 248.311 1.610 20 0 BDADLO CCc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)ncn1 ZINC000677232019 488003082 /nfs/dbraw/zinc/00/30/82/488003082.db2.gz OVBOMPVCSVWELX-JTQLQIEISA-N 1 2 243.314 1.732 20 0 BDADLO CCc1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000677232019 488003084 /nfs/dbraw/zinc/00/30/84/488003084.db2.gz OVBOMPVCSVWELX-JTQLQIEISA-N 1 2 243.314 1.732 20 0 BDADLO CCCCc1nc(CN(C)Cc2[nH]cc[nH+]2)no1 ZINC000677802830 488125455 /nfs/dbraw/zinc/12/54/55/488125455.db2.gz SQYPIPMGDKEQQJ-UHFFFAOYSA-N 1 2 249.318 1.767 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000674753206 488146862 /nfs/dbraw/zinc/14/68/62/488146862.db2.gz AFOXDIACSJFBQK-JTQLQIEISA-N 1 2 238.335 1.098 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000674753206 488146867 /nfs/dbraw/zinc/14/68/67/488146867.db2.gz AFOXDIACSJFBQK-JTQLQIEISA-N 1 2 238.335 1.098 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2ccno2)cn1 ZINC000677898481 488149197 /nfs/dbraw/zinc/14/91/97/488149197.db2.gz HQCALMHGKVCSGV-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2ccno2)cn1 ZINC000677898481 488149202 /nfs/dbraw/zinc/14/92/02/488149202.db2.gz HQCALMHGKVCSGV-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1cocn1 ZINC000683351560 488150924 /nfs/dbraw/zinc/15/09/24/488150924.db2.gz KBKVMYKCDZGOMV-UHFFFAOYSA-N 1 2 212.293 1.922 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1cocn1 ZINC000683351560 488150930 /nfs/dbraw/zinc/15/09/30/488150930.db2.gz KBKVMYKCDZGOMV-UHFFFAOYSA-N 1 2 212.293 1.922 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccoc2C)nn1 ZINC000404422171 488158629 /nfs/dbraw/zinc/15/86/29/488158629.db2.gz CWQYSQVQMPDDLA-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cn(CC)nn2)o1 ZINC000404447406 488160809 /nfs/dbraw/zinc/16/08/09/488160809.db2.gz KMMBIKCUCPSUQX-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO CCOCC[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667949698 488165722 /nfs/dbraw/zinc/16/57/22/488165722.db2.gz MMJRFJRNPYYQBG-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO CCOCC[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667949698 488165725 /nfs/dbraw/zinc/16/57/25/488165725.db2.gz MMJRFJRNPYYQBG-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H]1C1CC1 ZINC000562651377 488170254 /nfs/dbraw/zinc/17/02/54/488170254.db2.gz HYLTVRLNLJNOET-LLVKDONJSA-N 1 2 234.303 1.077 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1coc(C2CCC2)n1 ZINC000683484651 488174415 /nfs/dbraw/zinc/17/44/15/488174415.db2.gz WEUDBJIOYUUMRJ-UHFFFAOYSA-N 1 2 246.270 1.595 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000683527478 488187637 /nfs/dbraw/zinc/18/76/37/488187637.db2.gz DQHNIIBXLIZXML-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000683527478 488187643 /nfs/dbraw/zinc/18/76/43/488187643.db2.gz DQHNIIBXLIZXML-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1nccs1 ZINC000683533891 488189639 /nfs/dbraw/zinc/18/96/39/488189639.db2.gz MZYACONORDZBHV-UHFFFAOYSA-N 1 2 248.311 1.380 20 0 BDADLO C[N@H+](CC(=O)Nc1ccon1)Cc1cccnc1 ZINC000678081815 488192986 /nfs/dbraw/zinc/19/29/86/488192986.db2.gz FAJNDWOJEBDCQP-UHFFFAOYSA-N 1 2 246.270 1.140 20 0 BDADLO C[N@@H+](CC(=O)Nc1ccon1)Cc1cccnc1 ZINC000678081815 488192988 /nfs/dbraw/zinc/19/29/88/488192988.db2.gz FAJNDWOJEBDCQP-UHFFFAOYSA-N 1 2 246.270 1.140 20 0 BDADLO CC[N@@H+](Cc1csnn1)C[C@@H]1CCOC1 ZINC000678151517 488207752 /nfs/dbraw/zinc/20/77/52/488207752.db2.gz NPJFHIQNFBRVLD-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](Cc1cn[nH]c1)CC2 ZINC000678179421 488213854 /nfs/dbraw/zinc/21/38/54/488213854.db2.gz BAMISMZHOWLCIP-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC000678179421 488213858 /nfs/dbraw/zinc/21/38/58/488213858.db2.gz BAMISMZHOWLCIP-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO CC(F)(F)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668194461 488221075 /nfs/dbraw/zinc/22/10/75/488221075.db2.gz JFMYWPPUQJAGTH-IUCAKERBSA-N 1 2 205.248 1.799 20 0 BDADLO c1cn([C@H]2CCCN(Cc3csnn3)C2)c[nH+]1 ZINC000678235074 488216924 /nfs/dbraw/zinc/21/69/24/488216924.db2.gz CNCPRRDDLOYSDL-NSHDSACASA-N 1 2 249.343 1.572 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CC2(CC2)C1 ZINC000668194007 488219686 /nfs/dbraw/zinc/21/96/86/488219686.db2.gz WSVAKLNVJZZXMN-UHFFFAOYSA-N 1 2 219.288 1.227 20 0 BDADLO CN(C)c1ccc(C[N@H+](C)Cc2cc[nH]n2)cn1 ZINC000678260003 488227430 /nfs/dbraw/zinc/22/74/30/488227430.db2.gz PYMBZNNJHYQEBE-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CN(C)c1ccc(C[N@@H+](C)Cc2cc[nH]n2)cn1 ZINC000678260003 488227432 /nfs/dbraw/zinc/22/74/32/488227432.db2.gz PYMBZNNJHYQEBE-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CCCn1nccc1C[N@@H+]1CC[C@H](F)C1 ZINC000668213846 488227814 /nfs/dbraw/zinc/22/78/14/488227814.db2.gz NJTPCJBFCORYQS-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CCCn1nccc1C[N@H+]1CC[C@H](F)C1 ZINC000668213846 488227819 /nfs/dbraw/zinc/22/78/19/488227819.db2.gz NJTPCJBFCORYQS-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CN1CC[N@H+](Cc2ccccc2C2CC2)CC1=O ZINC000678268951 488232162 /nfs/dbraw/zinc/23/21/62/488232162.db2.gz COWPWNZPYORZSL-UHFFFAOYSA-N 1 2 244.338 1.838 20 0 BDADLO CN1CC[N@@H+](Cc2ccccc2C2CC2)CC1=O ZINC000678268951 488232165 /nfs/dbraw/zinc/23/21/65/488232165.db2.gz COWPWNZPYORZSL-UHFFFAOYSA-N 1 2 244.338 1.838 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](CC1=CCCOC1)C2 ZINC000678275874 488235177 /nfs/dbraw/zinc/23/51/77/488235177.db2.gz IPBCHGKATFVQOW-UHFFFAOYSA-N 1 2 219.288 1.115 20 0 BDADLO c1n[nH]c2c1CC[N@H+](CC1=CCCOC1)C2 ZINC000678275874 488235178 /nfs/dbraw/zinc/23/51/78/488235178.db2.gz IPBCHGKATFVQOW-UHFFFAOYSA-N 1 2 219.288 1.115 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000678275837 488235807 /nfs/dbraw/zinc/23/58/07/488235807.db2.gz FGYBEQVQCKYDIM-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000678275837 488235809 /nfs/dbraw/zinc/23/58/09/488235809.db2.gz FGYBEQVQCKYDIM-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CN(Cc1cnn(C(C)(C)C)c1)Cc1[nH]cc[nH+]1 ZINC000683888904 488237027 /nfs/dbraw/zinc/23/70/27/488237027.db2.gz FEPIGIFUAOHCCS-UHFFFAOYSA-N 1 2 247.346 1.993 20 0 BDADLO Cc1ncccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000683889674 488237543 /nfs/dbraw/zinc/23/75/43/488237543.db2.gz XDTYOUQYUUPYBW-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CC(C)(C(=O)N1CCC[C@H]2C[C@H]21)c1c[nH+]c[nH]1 ZINC000672130816 488239072 /nfs/dbraw/zinc/23/90/72/488239072.db2.gz WFXHEIHMYRMUAQ-VHSXEESVSA-N 1 2 233.315 1.698 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cscn1 ZINC000672147711 488240856 /nfs/dbraw/zinc/24/08/56/488240856.db2.gz UUHJFXOLICSBIK-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672157091 488242425 /nfs/dbraw/zinc/24/24/25/488242425.db2.gz YYTXDURUPZULND-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC=CCC1 ZINC000672156850 488242463 /nfs/dbraw/zinc/24/24/63/488242463.db2.gz VTPJHLUWXOQEMT-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)co1 ZINC000672158427 488243374 /nfs/dbraw/zinc/24/33/74/488243374.db2.gz YXMBQZBNNLULGP-LLVKDONJSA-N 1 2 245.282 1.529 20 0 BDADLO F[C@@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000672274255 488249001 /nfs/dbraw/zinc/24/90/01/488249001.db2.gz YSNFATCQDNNIPJ-SNVBAGLBSA-N 1 2 247.277 1.601 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCCOC[C@H]1C ZINC000683995427 488253971 /nfs/dbraw/zinc/25/39/71/488253971.db2.gz YXJDZCYNRJZQLT-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCCOC[C@H]1C ZINC000683995427 488253974 /nfs/dbraw/zinc/25/39/74/488253974.db2.gz YXJDZCYNRJZQLT-LLVKDONJSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000683996386 488254082 /nfs/dbraw/zinc/25/40/82/488254082.db2.gz RWIMWEVGTLUWCQ-VIFPVBQESA-N 1 2 244.289 1.946 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000683996386 488254085 /nfs/dbraw/zinc/25/40/85/488254085.db2.gz RWIMWEVGTLUWCQ-VIFPVBQESA-N 1 2 244.289 1.946 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1ncnn1C ZINC000678543348 488263614 /nfs/dbraw/zinc/26/36/14/488263614.db2.gz CQUNRUHIPOMVBA-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1noc(C[NH2+][C@@H](C)c2cnccc2C)n1 ZINC000678544148 488265651 /nfs/dbraw/zinc/26/56/51/488265651.db2.gz LXBZLIFAHCEUJR-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC=CCC1 ZINC000684095277 488266265 /nfs/dbraw/zinc/26/62/65/488266265.db2.gz UPJRPPPWNKDZJV-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC=CCC1 ZINC000684095277 488266268 /nfs/dbraw/zinc/26/62/68/488266268.db2.gz UPJRPPPWNKDZJV-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCCn1ncnc1COCc1[nH]cc[nH+]1 ZINC000684096144 488266791 /nfs/dbraw/zinc/26/67/91/488266791.db2.gz QFUMPDQTLIUBNM-UHFFFAOYSA-N 1 2 221.264 1.128 20 0 BDADLO O=C1CCN1c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000684114542 488267841 /nfs/dbraw/zinc/26/78/41/488267841.db2.gz XQFWEQUPTVZCGC-UHFFFAOYSA-N 1 2 242.282 1.759 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C1CC1 ZINC000672854401 488268191 /nfs/dbraw/zinc/26/81/91/488268191.db2.gz BFTDPRYQXSXYBM-GFCCVEGCSA-N 1 2 233.315 1.364 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCC1 ZINC000673037445 488272165 /nfs/dbraw/zinc/27/21/65/488272165.db2.gz GKLJPDQQDMXJEV-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO Cn1nccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000678632186 488275358 /nfs/dbraw/zinc/27/53/58/488275358.db2.gz BIKYVVSWMSAATI-UHFFFAOYSA-N 1 2 227.258 1.651 20 0 BDADLO COC[C@H]1CN(c2cc[nH+]cc2F)CCO1 ZINC000678787691 488283560 /nfs/dbraw/zinc/28/35/60/488283560.db2.gz WOSIKQZCIRGYNC-SECBINFHSA-N 1 2 226.251 1.072 20 0 BDADLO CCc1noc(C[NH2+][C@H](C)c2cccnc2)n1 ZINC000678805298 488285218 /nfs/dbraw/zinc/28/52/18/488285218.db2.gz JWZCQWZQSFRVGQ-SECBINFHSA-N 1 2 232.287 1.878 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000678802614 488285448 /nfs/dbraw/zinc/28/54/48/488285448.db2.gz FFEJKVFVXCILFX-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000678802614 488285451 /nfs/dbraw/zinc/28/54/51/488285451.db2.gz FFEJKVFVXCILFX-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C(C)C)nn2)[nH]n1 ZINC000673602418 488296999 /nfs/dbraw/zinc/29/69/99/488296999.db2.gz UCAPPVMVDWHADV-UHFFFAOYSA-N 1 2 234.307 1.180 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](c2ccco2)C1 ZINC000673667737 488302538 /nfs/dbraw/zinc/30/25/38/488302538.db2.gz VEJWZCWAIUDQAR-NSHDSACASA-N 1 2 245.282 1.492 20 0 BDADLO Cc1cccn2cc(CCNC(=O)C3CC3)[nH+]c12 ZINC000673726488 488305878 /nfs/dbraw/zinc/30/58/78/488305878.db2.gz KMFFOPFGCSIONN-UHFFFAOYSA-N 1 2 243.310 1.711 20 0 BDADLO Cn1cc(C[C@H]2CC[N@H+](CC(F)F)C2)cn1 ZINC000673755710 488307093 /nfs/dbraw/zinc/30/70/93/488307093.db2.gz HWVSTZMNKLJPCU-SECBINFHSA-N 1 2 229.274 1.550 20 0 BDADLO Cn1cc(C[C@H]2CC[N@@H+](CC(F)F)C2)cn1 ZINC000673755710 488307094 /nfs/dbraw/zinc/30/70/94/488307094.db2.gz HWVSTZMNKLJPCU-SECBINFHSA-N 1 2 229.274 1.550 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219471 488317408 /nfs/dbraw/zinc/31/74/08/488317408.db2.gz CTMYEXAXKQUKAF-QWRGUYRKSA-N 1 2 230.327 1.583 20 0 BDADLO CCCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219471 488317410 /nfs/dbraw/zinc/31/74/10/488317410.db2.gz CTMYEXAXKQUKAF-QWRGUYRKSA-N 1 2 230.327 1.583 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]1F ZINC000679218705 488318147 /nfs/dbraw/zinc/31/81/47/488318147.db2.gz BRKUMOQWOWUTIB-VHSXEESVSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1F ZINC000679218705 488318148 /nfs/dbraw/zinc/31/81/48/488318148.db2.gz BRKUMOQWOWUTIB-VHSXEESVSA-N 1 2 230.327 1.581 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679218300 488318178 /nfs/dbraw/zinc/31/81/78/488318178.db2.gz CYENMTIJXUDASV-GRYCIOLGSA-N 1 2 244.354 1.971 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000679219267 488318877 /nfs/dbraw/zinc/31/88/77/488318877.db2.gz FUMGIFOIBOPANE-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000679219267 488318879 /nfs/dbraw/zinc/31/88/79/488318879.db2.gz FUMGIFOIBOPANE-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO COC[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000684600532 488330865 /nfs/dbraw/zinc/33/08/65/488330865.db2.gz QYEKDYABYHMEJC-SECBINFHSA-N 1 2 239.319 1.193 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc[nH]2)C(C)(C)CO1 ZINC000684618609 488333254 /nfs/dbraw/zinc/33/32/54/488333254.db2.gz YJQQWJQURXFEGL-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)C(C)(C)CO1 ZINC000684618609 488333257 /nfs/dbraw/zinc/33/32/57/488333257.db2.gz YJQQWJQURXFEGL-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]cn2)C(C)(C)CO1 ZINC000684618609 488333258 /nfs/dbraw/zinc/33/32/58/488333258.db2.gz YJQQWJQURXFEGL-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)C(C)(C)CO1 ZINC000684618609 488333261 /nfs/dbraw/zinc/33/32/61/488333261.db2.gz YJQQWJQURXFEGL-UHFFFAOYSA-N 1 2 223.320 1.799 20 0 BDADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC=CCC1 ZINC000679324196 488337642 /nfs/dbraw/zinc/33/76/42/488337642.db2.gz OIDYVFQSNHPXEY-JTQLQIEISA-N 1 2 232.287 1.066 20 0 BDADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC=CCC1 ZINC000679324196 488337644 /nfs/dbraw/zinc/33/76/44/488337644.db2.gz OIDYVFQSNHPXEY-JTQLQIEISA-N 1 2 232.287 1.066 20 0 BDADLO CC1=CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000684774330 488339590 /nfs/dbraw/zinc/33/95/90/488339590.db2.gz XVBYIWCQYABFQT-UHFFFAOYSA-N 1 2 221.260 1.265 20 0 BDADLO CC1=CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000684774330 488339591 /nfs/dbraw/zinc/33/95/91/488339591.db2.gz XVBYIWCQYABFQT-UHFFFAOYSA-N 1 2 221.260 1.265 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2c[nH]nc2C)[nH]1 ZINC000679360717 488346688 /nfs/dbraw/zinc/34/66/88/488346688.db2.gz QAAZPZZYBYCTPJ-VXNVDRBHSA-N 1 2 248.334 1.810 20 0 BDADLO Cn1ncnc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000679392197 488348484 /nfs/dbraw/zinc/34/84/84/488348484.db2.gz IYVFSYYDRSWFLY-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1ncnc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000679392197 488348486 /nfs/dbraw/zinc/34/84/86/488348486.db2.gz IYVFSYYDRSWFLY-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684854769 488349392 /nfs/dbraw/zinc/34/93/92/488349392.db2.gz ZABUUWGVRNLPGC-QWRGUYRKSA-N 1 2 245.282 1.698 20 0 BDADLO CC(C)(C)c1nc(N[C@@H]2CNC(=O)C2)cc[nH+]1 ZINC000679390080 488349438 /nfs/dbraw/zinc/34/94/38/488349438.db2.gz WTRXGSBEWZCIAV-QMMMGPOBSA-N 1 2 234.303 1.075 20 0 BDADLO CCSCC[N@H+](C)Cc1nnc(C)o1 ZINC000595699250 490165050 /nfs/dbraw/zinc/16/50/50/490165050.db2.gz IAHNXKDXZYDWHP-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CCSCC[N@@H+](C)Cc1nnc(C)o1 ZINC000595699250 490165054 /nfs/dbraw/zinc/16/50/54/490165054.db2.gz IAHNXKDXZYDWHP-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)no1 ZINC000661699474 490178101 /nfs/dbraw/zinc/17/81/01/490178101.db2.gz IBEQEWVOQCQOCS-CABZTGNLSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)no1 ZINC000661699474 490178106 /nfs/dbraw/zinc/17/81/06/490178106.db2.gz IBEQEWVOQCQOCS-CABZTGNLSA-N 1 2 237.303 1.100 20 0 BDADLO COC(=O)Cc1cccc(NCC2CC2)[nH+]1 ZINC000191653709 490181064 /nfs/dbraw/zinc/18/10/64/490181064.db2.gz GDPDYWYYKWCCHU-UHFFFAOYSA-N 1 2 220.272 1.619 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1cscn1 ZINC000129960096 490190185 /nfs/dbraw/zinc/19/01/85/490190185.db2.gz LNCMXNHBBNRIBS-JGVFFNPUSA-N 1 2 225.317 1.024 20 0 BDADLO CCC[N@H+](CCO)CC(=O)c1ccccc1F ZINC000050146000 490196508 /nfs/dbraw/zinc/19/65/08/490196508.db2.gz HMXGFASXNCRVHI-UHFFFAOYSA-N 1 2 239.290 1.713 20 0 BDADLO CCC[N@@H+](CCO)CC(=O)c1ccccc1F ZINC000050146000 490196513 /nfs/dbraw/zinc/19/65/13/490196513.db2.gz HMXGFASXNCRVHI-UHFFFAOYSA-N 1 2 239.290 1.713 20 0 BDADLO Cn1cc[nH+]c1CN1CCc2ccccc21 ZINC000070928629 490251063 /nfs/dbraw/zinc/25/10/63/490251063.db2.gz VWGKTCBLJFJBFE-UHFFFAOYSA-N 1 2 213.284 1.983 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679222824 490258599 /nfs/dbraw/zinc/25/85/99/490258599.db2.gz JMNVEUDZSRDRNI-DCAQKATOSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679222824 490258604 /nfs/dbraw/zinc/25/86/04/490258604.db2.gz JMNVEUDZSRDRNI-DCAQKATOSA-N 1 2 230.327 1.581 20 0 BDADLO Cc1ncc(NC(=O)Cn2cc[nH+]c2)s1 ZINC000558607519 490281315 /nfs/dbraw/zinc/28/13/15/490281315.db2.gz PFTITCPTMNNDEJ-UHFFFAOYSA-N 1 2 222.273 1.287 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)no1 ZINC000305174230 490446796 /nfs/dbraw/zinc/44/67/96/490446796.db2.gz KVLKFTMHCXTLLB-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)no1 ZINC000305174230 490446798 /nfs/dbraw/zinc/44/67/98/490446798.db2.gz KVLKFTMHCXTLLB-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)no1 ZINC000305174232 490446846 /nfs/dbraw/zinc/44/68/46/490446846.db2.gz KVLKFTMHCXTLLB-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)no1 ZINC000305174232 490446851 /nfs/dbraw/zinc/44/68/51/490446851.db2.gz KVLKFTMHCXTLLB-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cncnc1 ZINC000130857169 490457959 /nfs/dbraw/zinc/45/79/59/490457959.db2.gz PKHGHKXRSQXGRV-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cncnc1 ZINC000130857169 490457967 /nfs/dbraw/zinc/45/79/67/490457967.db2.gz PKHGHKXRSQXGRV-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccccc1 ZINC000074726886 490501306 /nfs/dbraw/zinc/50/13/06/490501306.db2.gz AYGSECNNEDIEJL-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccccc1 ZINC000074726886 490501314 /nfs/dbraw/zinc/50/13/14/490501314.db2.gz AYGSECNNEDIEJL-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO Cc1csc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000074727312 490502585 /nfs/dbraw/zinc/50/25/85/490502585.db2.gz UGTPNEAWFOOCOC-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO Cc1csc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000074727312 490502590 /nfs/dbraw/zinc/50/25/90/490502590.db2.gz UGTPNEAWFOOCOC-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CCC1 ZINC000130382753 490530963 /nfs/dbraw/zinc/53/09/63/490530963.db2.gz FNKUQGMROKFFGB-LLVKDONJSA-N 1 2 235.331 1.968 20 0 BDADLO CC(C)c1nc(NC2(CO)CCC2)cc[nH+]1 ZINC000309400755 491054729 /nfs/dbraw/zinc/05/47/29/491054729.db2.gz WGAHWMLIHKVBFQ-UHFFFAOYSA-N 1 2 221.304 1.927 20 0 BDADLO Cc1cc(N)nc(S[C@@H]2CCCOC2)[nH+]1 ZINC000227081184 491054857 /nfs/dbraw/zinc/05/48/57/491054857.db2.gz OGEAPQLAOGFYAN-MRVPVSSYSA-N 1 2 225.317 1.638 20 0 BDADLO COc1ccc(N[C@H](C)[C@H](C)OC)[nH+]c1 ZINC000308941940 491050497 /nfs/dbraw/zinc/05/04/97/491050497.db2.gz MNRKGCZIVQDGDR-BDAKNGLRSA-N 1 2 210.277 1.926 20 0 BDADLO CCc1cc(N2CC[C@@H](C)[C@@H]2CO)nc(C)[nH+]1 ZINC000227172049 491055624 /nfs/dbraw/zinc/05/56/24/491055624.db2.gz NFPSDKYGRDGZCH-SKDRFNHKSA-N 1 2 235.331 1.555 20 0 BDADLO Nc1[nH+]cnc(NCC2(O)CCC2)c1Cl ZINC000227849248 491065776 /nfs/dbraw/zinc/06/57/76/491065776.db2.gz LDOSHRDGOUPXHG-UHFFFAOYSA-N 1 2 228.683 1.039 20 0 BDADLO Nc1nc[nH+]c(NCC2(O)CCC2)c1Cl ZINC000227849248 491065777 /nfs/dbraw/zinc/06/57/77/491065777.db2.gz LDOSHRDGOUPXHG-UHFFFAOYSA-N 1 2 228.683 1.039 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCCC(C)(C)C1 ZINC000572433662 491074420 /nfs/dbraw/zinc/07/44/20/491074420.db2.gz YDDCRSHNTIPUMG-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)C(F)F)cn1 ZINC000228485549 491095422 /nfs/dbraw/zinc/09/54/22/491095422.db2.gz HVEQZJBESASYHF-ZETCQYMHSA-N 1 2 216.231 1.833 20 0 BDADLO CC[C@H](C)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000088521787 491104095 /nfs/dbraw/zinc/10/40/95/491104095.db2.gz JRHRWQIIZDMTKQ-LBPRGKRZSA-N 1 2 228.380 1.421 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665869700 491109286 /nfs/dbraw/zinc/10/92/86/491109286.db2.gz KNMRLAAAZYKJHD-MWLCHTKSSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665869700 491109287 /nfs/dbraw/zinc/10/92/87/491109287.db2.gz KNMRLAAAZYKJHD-MWLCHTKSSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000295717072 491119625 /nfs/dbraw/zinc/11/96/25/491119625.db2.gz NHKKPOWDQCGBLH-POZPLHJXSA-N 1 2 209.293 1.374 20 0 BDADLO Cc1nc(C[NH+]2CCC(CF)CC2)no1 ZINC000336253907 491124116 /nfs/dbraw/zinc/12/41/16/491124116.db2.gz WCIILKPPQQUFQT-UHFFFAOYSA-N 1 2 213.256 1.560 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H]([C@@H](C)O)C1 ZINC000584241995 491124704 /nfs/dbraw/zinc/12/47/04/491124704.db2.gz CQBCGVWLMHFYRO-MWLCHTKSSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000139079971 491130320 /nfs/dbraw/zinc/13/03/20/491130320.db2.gz SEJHLVVKOZSRSY-WCBMZHEXSA-N 1 2 233.319 1.863 20 0 BDADLO CC(C)CC[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091539139 491130950 /nfs/dbraw/zinc/13/09/50/491130950.db2.gz UKSSSEVJQJTOGZ-UHFFFAOYSA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)CC[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC1 ZINC000091539139 491130951 /nfs/dbraw/zinc/13/09/51/491130951.db2.gz UKSSSEVJQJTOGZ-UHFFFAOYSA-N 1 2 224.308 1.109 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661636 491131465 /nfs/dbraw/zinc/13/14/65/491131465.db2.gz YYVGQNMBISWLHB-GFCCVEGCSA-N 1 2 242.326 1.982 20 0 BDADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H]1O ZINC000663764860 491131982 /nfs/dbraw/zinc/13/19/82/491131982.db2.gz PYNMGYMHTJHWKI-ZANVPECISA-N 1 2 243.310 1.634 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCc2nccnc2C1 ZINC000668735006 491132882 /nfs/dbraw/zinc/13/28/82/491132882.db2.gz VYENKNWGGPYIDP-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cnccc1C[N@H+]1CCc2nccnc2C1 ZINC000668735006 491132883 /nfs/dbraw/zinc/13/28/83/491132883.db2.gz VYENKNWGGPYIDP-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)CCCn1cc[nH+]c1 ZINC000080977381 491133667 /nfs/dbraw/zinc/13/36/67/491133667.db2.gz ZDFJOOXAAXNVIY-UHFFFAOYSA-N 1 2 246.314 1.650 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc(F)c1F ZINC000081299017 491134926 /nfs/dbraw/zinc/13/49/26/491134926.db2.gz DPOVKHZZSCAJOP-UHFFFAOYSA-N 1 2 237.209 1.800 20 0 BDADLO COC(=O)[C@H]1CCC[C@@H]([NH+]2CC(F)C2)CC1 ZINC001172781580 974938940 /nfs/dbraw/zinc/93/89/40/974938940.db2.gz JKDOLGWGPJRPPG-GXSJLCMTSA-N 1 2 229.295 1.762 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC/C=C\Cl ZINC000891203158 582629287 /nfs/dbraw/zinc/62/92/87/582629287.db2.gz PRAVUSKHFAVXGD-RJRFIUFISA-N 1 2 213.668 1.211 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC/C=C\Cl ZINC000891203158 582629289 /nfs/dbraw/zinc/62/92/89/582629289.db2.gz PRAVUSKHFAVXGD-RJRFIUFISA-N 1 2 213.668 1.211 20 0 BDADLO Cc1cc(N2CC[C@H](O)C[C@@H]2C)nc[nH+]1 ZINC000488741600 533908258 /nfs/dbraw/zinc/90/82/58/533908258.db2.gz BTSLHEDCJSHFPV-UWVGGRQHSA-N 1 2 207.277 1.135 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492770853 533912950 /nfs/dbraw/zinc/91/29/50/533912950.db2.gz REPAGHOPYVCHSH-ANDSXOESSA-N 1 2 233.315 1.927 20 0 BDADLO CCN1CCN(C(=O)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000336132687 535611526 /nfs/dbraw/zinc/61/15/26/535611526.db2.gz KFFUKVQIBGXSBI-NSHDSACASA-N 1 2 248.330 1.025 20 0 BDADLO C[N@H+](CCO)Cc1csc(C(F)(F)F)n1 ZINC000891443823 582686431 /nfs/dbraw/zinc/68/64/31/582686431.db2.gz DSTLUTUJHGMTBH-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO C[N@@H+](CCO)Cc1csc(C(F)(F)F)n1 ZINC000891443823 582686432 /nfs/dbraw/zinc/68/64/32/582686432.db2.gz DSTLUTUJHGMTBH-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(=O)NC(C)C)o1 ZINC000891513294 582693873 /nfs/dbraw/zinc/69/38/73/582693873.db2.gz HPSWSMPMZFUFNP-UHFFFAOYSA-N 1 2 240.303 1.245 20 0 BDADLO Cc1cc(CN(C)C(=O)C=Cc2c[nH]c[nH+]2)no1 ZINC000492777947 534158347 /nfs/dbraw/zinc/15/83/47/534158347.db2.gz QBIHKPAQXFLPEN-ARJAWSKDSA-N 1 2 246.270 1.378 20 0 BDADLO CC(=O)N[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000336176559 534527696 /nfs/dbraw/zinc/52/76/96/534527696.db2.gz FMABRVTYHNSFTK-VIFPVBQESA-N 1 2 235.287 1.162 20 0 BDADLO Cc1cncc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492809348 534683529 /nfs/dbraw/zinc/68/35/29/534683529.db2.gz FUYPUNBOXUTRMH-NSCUHMNNSA-N 1 2 228.255 1.765 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000180626110 534758564 /nfs/dbraw/zinc/75/85/64/534758564.db2.gz ZODMHQQHQKIHEK-SECBINFHSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1ncccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903668 534763460 /nfs/dbraw/zinc/76/34/60/534763460.db2.gz UOYIBPHCIRSLKM-PLNGDYQASA-N 1 2 228.255 1.765 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCn2nccc21 ZINC000493105143 534785943 /nfs/dbraw/zinc/78/59/43/534785943.db2.gz LIZFWQFYPCMZDI-NSCUHMNNSA-N 1 2 243.270 1.056 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1CCO ZINC000492823828 534802221 /nfs/dbraw/zinc/80/22/21/534802221.db2.gz ONHJBSLEUIHTLU-ZHLVKLTDSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1F ZINC000493195455 534803012 /nfs/dbraw/zinc/80/30/12/534803012.db2.gz VHVFBXHLEWKUCN-YVDHIRPGSA-N 1 2 223.251 1.430 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccs1 ZINC000493742290 534803482 /nfs/dbraw/zinc/80/34/82/534803482.db2.gz SGUAXFOJUYAEEB-ARJAWSKDSA-N 1 2 233.296 1.801 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOC1CCCCC1 ZINC000493121546 534803603 /nfs/dbraw/zinc/80/36/03/534803603.db2.gz SECQXEXWUBQTJT-SREVYHEPSA-N 1 2 235.287 1.803 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccco1 ZINC000493837734 534803770 /nfs/dbraw/zinc/80/37/70/534803770.db2.gz QBCVFXWSDBUXPX-ARJAWSKDSA-N 1 2 217.228 1.332 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000492762962 534804305 /nfs/dbraw/zinc/80/43/05/534804305.db2.gz IKLAMTPDTCEBFK-NEBUDMAUSA-N 1 2 217.272 1.338 20 0 BDADLO Cc1cccnc1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000492629608 534844628 /nfs/dbraw/zinc/84/46/28/534844628.db2.gz ZQESMXDBQWBWPA-PLNGDYQASA-N 1 2 242.282 1.443 20 0 BDADLO Cc1nc(C)c(CNC(=O)/C=C/c2[nH]cc[nH+]2)o1 ZINC000493694604 534882689 /nfs/dbraw/zinc/88/26/89/534882689.db2.gz SFEBQEXACSBXOJ-ONEGZZNKSA-N 1 2 246.270 1.344 20 0 BDADLO CC(C)Cn1cc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000183011956 534899830 /nfs/dbraw/zinc/89/98/30/534899830.db2.gz UIBGSBACMDLFBK-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1cc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000183011956 534899836 /nfs/dbraw/zinc/89/98/36/534899836.db2.gz UIBGSBACMDLFBK-LBPRGKRZSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000302362167 534909105 /nfs/dbraw/zinc/90/91/05/534909105.db2.gz DBUBYDJRXCHQCB-WDEREUQCSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)c1nc(N2CC(CCO)C2)cc[nH+]1 ZINC000342790900 534907674 /nfs/dbraw/zinc/90/76/74/534907674.db2.gz QJNWQSYJSMWEFA-UHFFFAOYSA-N 1 2 221.304 1.419 20 0 BDADLO CC(C)c1nc(N2CC[C@H](O)[C@H](C)C2)cc[nH+]1 ZINC000302362163 534909981 /nfs/dbraw/zinc/90/99/81/534909981.db2.gz DBUBYDJRXCHQCB-MNOVXSKESA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)c1nc(N2C[C@H](C)[C@H](O)C2)cc[nH+]1 ZINC000351501387 534911925 /nfs/dbraw/zinc/91/19/25/534911925.db2.gz HOSWQIXKOPFGHB-VHSXEESVSA-N 1 2 221.304 1.417 20 0 BDADLO CC(C)c1nc(N2C[C@@H](C)[C@H](O)C2)cc[nH+]1 ZINC000351501382 534912378 /nfs/dbraw/zinc/91/23/78/534912378.db2.gz HOSWQIXKOPFGHB-NXEZZACHSA-N 1 2 221.304 1.417 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000248463541 536442066 /nfs/dbraw/zinc/44/20/66/536442066.db2.gz QOJMAOXKRVPQBJ-RKDXNWHRSA-N 1 2 242.344 1.740 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000248463541 536442069 /nfs/dbraw/zinc/44/20/69/536442069.db2.gz QOJMAOXKRVPQBJ-RKDXNWHRSA-N 1 2 242.344 1.740 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492661394 527555867 /nfs/dbraw/zinc/55/58/67/527555867.db2.gz GXUHJOJPOSIBND-VLWUPBBWSA-N 1 2 247.342 1.916 20 0 BDADLO CC(C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492828375 527728111 /nfs/dbraw/zinc/72/81/11/527728111.db2.gz YWQFUYSMPWBFFR-ARJAWSKDSA-N 1 2 207.277 1.585 20 0 BDADLO CC1(C)SC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492768790 527819545 /nfs/dbraw/zinc/81/95/45/527819545.db2.gz PKXWZYSJLMAOCC-TYRPZCRBSA-N 1 2 237.328 1.433 20 0 BDADLO CC(C)c1cc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH][nH]1 ZINC000492856896 528007554 /nfs/dbraw/zinc/00/75/54/528007554.db2.gz CRYFYMFNAIGVNT-ARJAWSKDSA-N 1 2 245.286 1.330 20 0 BDADLO CC(C)O[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493491244 528057367 /nfs/dbraw/zinc/05/73/67/528057367.db2.gz PVVNETOMYAAQFF-VSQXVHSFSA-N 1 2 249.314 1.449 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492890897 528124453 /nfs/dbraw/zinc/12/44/53/528124453.db2.gz CENJFORLWANRLV-UMBAGQNISA-N 1 2 231.299 1.848 20 0 BDADLO CCC[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000492967284 528132008 /nfs/dbraw/zinc/13/20/08/528132008.db2.gz YKMSIONSYGNSEX-ISALQUGTSA-N 1 2 237.303 1.354 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492890898 528135015 /nfs/dbraw/zinc/13/50/15/528135015.db2.gz CENJFORLWANRLV-XOULXFPDSA-N 1 2 231.299 1.848 20 0 BDADLO CCOC=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000493385223 528472866 /nfs/dbraw/zinc/47/28/66/528472866.db2.gz LBUXZLVLJUNXNZ-AATRIKPKSA-N 1 2 220.272 1.609 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494241841 528902780 /nfs/dbraw/zinc/90/27/80/528902780.db2.gz OLTAQMFEHCRSNK-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494241841 528902783 /nfs/dbraw/zinc/90/27/83/528902783.db2.gz OLTAQMFEHCRSNK-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000493757691 528911608 /nfs/dbraw/zinc/91/16/08/528911608.db2.gz PVVQEDRQBVYLNI-BYCRGOAPSA-N 1 2 235.287 1.060 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493594832 529050195 /nfs/dbraw/zinc/05/01/95/529050195.db2.gz HPWRRCXVEQIYSL-CDAZIORVSA-N 1 2 219.288 1.728 20 0 BDADLO CC[C@@H]([NH2+]CCOC(C)(C)CC)C(=O)OC ZINC000308715930 529166285 /nfs/dbraw/zinc/16/62/85/529166285.db2.gz BFPZAYBQCIDZPA-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@](C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)OC ZINC000493508992 529359806 /nfs/dbraw/zinc/35/98/06/529359806.db2.gz FHURECJAGYYHTA-BTDICHCPSA-N 1 2 237.303 1.354 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1CCOCC1CC1 ZINC000351502512 534940330 /nfs/dbraw/zinc/94/03/30/534940330.db2.gz LZHRABDAGOJEFO-INIZCTEOSA-N 1 2 245.388 1.256 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1CCOCC1CC1 ZINC000351502512 534940335 /nfs/dbraw/zinc/94/03/35/534940335.db2.gz LZHRABDAGOJEFO-INIZCTEOSA-N 1 2 245.388 1.256 20 0 BDADLO CC(C)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353142208 535146078 /nfs/dbraw/zinc/14/60/78/535146078.db2.gz RSTDVENDBHGJDO-UHFFFAOYSA-N 1 2 230.315 1.816 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336138503 535148505 /nfs/dbraw/zinc/14/85/05/535148505.db2.gz XCWXCYWFDXPBNN-NXEZZACHSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336138503 535148512 /nfs/dbraw/zinc/14/85/12/535148512.db2.gz XCWXCYWFDXPBNN-NXEZZACHSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CCCCCO ZINC000227114862 535160217 /nfs/dbraw/zinc/16/02/17/535160217.db2.gz WRFBRXAGIKYOES-UHFFFAOYSA-N 1 2 240.351 1.453 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CCCCCO ZINC000227114862 535160220 /nfs/dbraw/zinc/16/02/20/535160220.db2.gz WRFBRXAGIKYOES-UHFFFAOYSA-N 1 2 240.351 1.453 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353165878 535268124 /nfs/dbraw/zinc/26/81/24/535268124.db2.gz JKDXGGONNMUCKQ-SECBINFHSA-N 1 2 234.290 1.631 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353165878 535268128 /nfs/dbraw/zinc/26/81/28/535268128.db2.gz JKDXGGONNMUCKQ-SECBINFHSA-N 1 2 234.290 1.631 20 0 BDADLO CCC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000348802950 535410366 /nfs/dbraw/zinc/41/03/66/535410366.db2.gz OUGLJVAPAGOJGE-SECBINFHSA-N 1 2 224.308 1.665 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](CC(C)C)C(=O)OC ZINC000183869462 535691926 /nfs/dbraw/zinc/69/19/26/535691926.db2.gz MGFKDVBHEBNZKB-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@@H](NC(=O)C[C@H](C)COC)c1[nH]cc[nH+]1 ZINC000140522681 535787698 /nfs/dbraw/zinc/78/76/98/535787698.db2.gz FSMFEDMCOXKEEO-VHSXEESVSA-N 1 2 239.319 1.650 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547081 535820288 /nfs/dbraw/zinc/82/02/88/535820288.db2.gz CYJSTYREHAJHRA-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnc(C)nc1 ZINC000352011440 535835767 /nfs/dbraw/zinc/83/57/67/535835767.db2.gz BHDAGZBQFBXQQQ-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnc(C)nc1 ZINC000352011440 535835770 /nfs/dbraw/zinc/83/57/70/535835770.db2.gz BHDAGZBQFBXQQQ-GFCCVEGCSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@@H](C)O1 ZINC000252442877 535846322 /nfs/dbraw/zinc/84/63/22/535846322.db2.gz FCJATDVZCLFNHJ-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@@H](C)O1 ZINC000252442877 535846330 /nfs/dbraw/zinc/84/63/30/535846330.db2.gz FCJATDVZCLFNHJ-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)o1 ZINC000347962306 535856491 /nfs/dbraw/zinc/85/64/91/535856491.db2.gz DPEZZGFVCNLSQI-VHSXEESVSA-N 1 2 249.318 1.568 20 0 BDADLO CC[C@@](C)(OC)c1noc(C[NH+](C)C)n1 ZINC000350440371 536019709 /nfs/dbraw/zinc/01/97/09/536019709.db2.gz RXCGAUAXUMGDGM-SNVBAGLBSA-N 1 2 213.281 1.403 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cs1 ZINC000335715113 536138919 /nfs/dbraw/zinc/13/89/19/536138919.db2.gz USTPGAYYYXUWBZ-SNVBAGLBSA-N 1 2 238.356 1.662 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cs1 ZINC000335715113 536138926 /nfs/dbraw/zinc/13/89/26/536138926.db2.gz USTPGAYYYXUWBZ-SNVBAGLBSA-N 1 2 238.356 1.662 20 0 BDADLO CCc1cc(N2CCOC[C@@H]2C)nc(C)[nH+]1 ZINC000265987661 536146624 /nfs/dbraw/zinc/14/66/24/536146624.db2.gz HSIZPJRILAZQRB-VIFPVBQESA-N 1 2 221.304 1.573 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000348286254 536178352 /nfs/dbraw/zinc/17/83/52/536178352.db2.gz YBDOUEGFONIWNR-ZDUSSCGKSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cn1 ZINC000348286254 536178356 /nfs/dbraw/zinc/17/83/56/536178356.db2.gz YBDOUEGFONIWNR-ZDUSSCGKSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)cn1 ZINC000348223155 536179908 /nfs/dbraw/zinc/17/99/08/536179908.db2.gz IRGGVVSMPRJBIH-DGCLKSJQSA-N 1 2 238.306 1.549 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](F)C[C@@H]2CO)cn1 ZINC000348223155 536179913 /nfs/dbraw/zinc/17/99/13/536179913.db2.gz IRGGVVSMPRJBIH-DGCLKSJQSA-N 1 2 238.306 1.549 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc[nH]n1 ZINC000248822910 536552056 /nfs/dbraw/zinc/55/20/56/536552056.db2.gz JOIFGUOEDWPSCX-WCQGTBRESA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc[nH]n1 ZINC000248822910 536552069 /nfs/dbraw/zinc/55/20/69/536552069.db2.gz JOIFGUOEDWPSCX-WCQGTBRESA-N 1 2 249.314 1.183 20 0 BDADLO COCCc1nc(C[NH+]2CCCCC2)no1 ZINC000351383242 536834009 /nfs/dbraw/zinc/83/40/09/536834009.db2.gz KFHJRJVJCOXSCC-UHFFFAOYSA-N 1 2 225.292 1.244 20 0 BDADLO COc1ccccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000080589363 537084443 /nfs/dbraw/zinc/08/44/43/537084443.db2.gz MVAZARGRFFIQMY-UHFFFAOYSA-N 1 2 246.270 1.740 20 0 BDADLO COc1c[nH+]c(NC2CCC2)nc1NC1CCC1 ZINC000342235134 537126389 /nfs/dbraw/zinc/12/63/89/537126389.db2.gz IQVVCRYPGHMOLP-UHFFFAOYSA-N 1 2 248.330 1.836 20 0 BDADLO CCc1cc(N2CC(OC(F)F)C2)nc(C)[nH+]1 ZINC000435602034 537907931 /nfs/dbraw/zinc/90/79/31/537907931.db2.gz AZBAKMLOUIZBNX-UHFFFAOYSA-N 1 2 243.257 1.775 20 0 BDADLO Cc1cnc(CNCc2cn3ccccc3[nH+]2)o1 ZINC000236002884 537907459 /nfs/dbraw/zinc/90/74/59/537907459.db2.gz AYEJABVTZWMRAH-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)nc1 ZINC000334354817 566325581 /nfs/dbraw/zinc/32/55/81/566325581.db2.gz AMBDWOZKJCXSSI-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)nc1 ZINC000334354817 566325589 /nfs/dbraw/zinc/32/55/89/566325589.db2.gz AMBDWOZKJCXSSI-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO CO[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000332899077 566377325 /nfs/dbraw/zinc/37/73/25/566377325.db2.gz WJMTXGHJKWWCQP-KOLCDFICSA-N 1 2 237.303 1.026 20 0 BDADLO CO[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000332899077 566377331 /nfs/dbraw/zinc/37/73/31/566377331.db2.gz WJMTXGHJKWWCQP-KOLCDFICSA-N 1 2 237.303 1.026 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000295115553 566388365 /nfs/dbraw/zinc/38/83/65/566388365.db2.gz VSESVZRROOGWAR-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000295115553 566388375 /nfs/dbraw/zinc/38/83/75/566388375.db2.gz VSESVZRROOGWAR-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000295115553 566388381 /nfs/dbraw/zinc/38/83/81/566388381.db2.gz VSESVZRROOGWAR-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000295115553 566388389 /nfs/dbraw/zinc/38/83/89/566388389.db2.gz VSESVZRROOGWAR-AWEZNQCLSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C=CCC1 ZINC000855432849 583104919 /nfs/dbraw/zinc/10/49/19/583104919.db2.gz MORPDHZUYBCSSY-SECBINFHSA-N 1 2 205.261 1.095 20 0 BDADLO COC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000893951894 583260239 /nfs/dbraw/zinc/26/02/39/583260239.db2.gz RQOLSUZPVORFOB-WRWGMCAJSA-N 1 2 241.331 1.343 20 0 BDADLO CCNC(=O)CN(C)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893966333 583263790 /nfs/dbraw/zinc/26/37/90/583263790.db2.gz ORTCNEXZYWSSGL-UHFFFAOYSA-N 1 2 238.335 1.101 20 0 BDADLO CCc1cc(N2CC[C@H]2COC)nc(CC)[nH+]1 ZINC000893975331 583264479 /nfs/dbraw/zinc/26/44/79/583264479.db2.gz CADGFHZGBVYSPZ-NSHDSACASA-N 1 2 235.331 1.827 20 0 BDADLO C[C@@H](F)CCNc1cc(N(C)C)nc[nH+]1 ZINC000893982163 583266524 /nfs/dbraw/zinc/26/65/24/583266524.db2.gz PRFVYLQHQODOPI-MRVPVSSYSA-N 1 2 212.272 1.703 20 0 BDADLO C[C@@H](F)CCNc1cc(N(C)C)[nH+]cn1 ZINC000893982163 583266527 /nfs/dbraw/zinc/26/65/27/583266527.db2.gz PRFVYLQHQODOPI-MRVPVSSYSA-N 1 2 212.272 1.703 20 0 BDADLO Cc1ncoc1C[N@H+](C)Cc1cccn1C ZINC000894043118 583285966 /nfs/dbraw/zinc/28/59/66/583285966.db2.gz OGSYCMBIJHYLCC-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CCc1cc(N)nc(SCCOC(F)F)[nH+]1 ZINC000853021156 588716195 /nfs/dbraw/zinc/71/61/95/588716195.db2.gz SRVCZHDQZQUYKY-UHFFFAOYSA-N 1 2 249.286 1.953 20 0 BDADLO CC(C)(C)C(F)(F)C[NH2+]CCS(C)(=O)=O ZINC000853124505 588721740 /nfs/dbraw/zinc/72/17/40/588721740.db2.gz HIKLFMVZNZKCGW-UHFFFAOYSA-N 1 2 243.319 1.302 20 0 BDADLO C[C@H](CC(=O)O[C@H](C)c1nc[nH]n1)n1cc[nH+]c1 ZINC000853226037 588727468 /nfs/dbraw/zinc/72/74/68/588727468.db2.gz UMFSXHLBJICYJS-RKDXNWHRSA-N 1 2 249.274 1.257 20 0 BDADLO CC[N@H+](Cn1nc(C)oc1=O)C1CCCCC1 ZINC000853487038 588745594 /nfs/dbraw/zinc/74/55/94/588745594.db2.gz HWVXCUDESLRUIS-UHFFFAOYSA-N 1 2 239.319 1.757 20 0 BDADLO CC[N@@H+](Cn1nc(C)oc1=O)C1CCCCC1 ZINC000853487038 588745595 /nfs/dbraw/zinc/74/55/95/588745595.db2.gz HWVXCUDESLRUIS-UHFFFAOYSA-N 1 2 239.319 1.757 20 0 BDADLO CC[N@H+](Cn1nc(C)oc1=O)[C@H](C)C(C)C ZINC000853492356 588745737 /nfs/dbraw/zinc/74/57/37/588745737.db2.gz NALAFHNTUQIBNF-SECBINFHSA-N 1 2 227.308 1.469 20 0 BDADLO CC[N@@H+](Cn1nc(C)oc1=O)[C@H](C)C(C)C ZINC000853492356 588745738 /nfs/dbraw/zinc/74/57/38/588745738.db2.gz NALAFHNTUQIBNF-SECBINFHSA-N 1 2 227.308 1.469 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c(=O)o1 ZINC000853505563 588746832 /nfs/dbraw/zinc/74/68/32/588746832.db2.gz MLKJSXXQDHTRHX-BDAKNGLRSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c(=O)o1 ZINC000853505563 588746833 /nfs/dbraw/zinc/74/68/33/588746833.db2.gz MLKJSXXQDHTRHX-BDAKNGLRSA-N 1 2 225.292 1.080 20 0 BDADLO Fc1ccc([C@@H]2CC[N@@H+]2Cn2cnnc2)cc1 ZINC000853543817 588748347 /nfs/dbraw/zinc/74/83/47/588748347.db2.gz LBISTWOIYAFTFV-LBPRGKRZSA-N 1 2 232.262 1.822 20 0 BDADLO Fc1ccc([C@@H]2CC[N@H+]2Cn2cnnc2)cc1 ZINC000853543817 588748348 /nfs/dbraw/zinc/74/83/48/588748348.db2.gz LBISTWOIYAFTFV-LBPRGKRZSA-N 1 2 232.262 1.822 20 0 BDADLO C[C@]12COC[C@H]1C[N@H+](Cn1cc(Cl)cn1)C2 ZINC000853568062 588749028 /nfs/dbraw/zinc/74/90/28/588749028.db2.gz YPYUSWWTIUXUKF-KOLCDFICSA-N 1 2 241.722 1.462 20 0 BDADLO C[C@]12COC[C@H]1C[N@@H+](Cn1cc(Cl)cn1)C2 ZINC000853568062 588749029 /nfs/dbraw/zinc/74/90/29/588749029.db2.gz YPYUSWWTIUXUKF-KOLCDFICSA-N 1 2 241.722 1.462 20 0 BDADLO CCn1ncnc1CO[NH+]=C(N)c1ccccc1 ZINC000853637454 588751340 /nfs/dbraw/zinc/75/13/40/588751340.db2.gz SCUSNXAUPKWUPW-UHFFFAOYSA-N 1 2 245.286 1.345 20 0 BDADLO CC1=NO[C@@H](CNc2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000853660856 588753622 /nfs/dbraw/zinc/75/36/22/588753622.db2.gz LTQNTDBNNHZVBD-SECBINFHSA-N 1 2 245.286 1.843 20 0 BDADLO NC(=[NH+]OCCOC(F)F)c1cccc(F)c1 ZINC000853662975 588753799 /nfs/dbraw/zinc/75/37/99/588753799.db2.gz PFUSVOJMGVHIPH-UHFFFAOYSA-N 1 2 248.204 1.911 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC1(C)CCC1 ZINC000853668291 588754002 /nfs/dbraw/zinc/75/40/02/588754002.db2.gz YFEAYQYIEMVPPZ-UHFFFAOYSA-N 1 2 241.335 1.590 20 0 BDADLO COC1(C(N)=[NH+]OCC2CCC2)CCOCC1 ZINC000853742362 588760779 /nfs/dbraw/zinc/76/07/79/588760779.db2.gz LNKYSMCYUVGQFR-UHFFFAOYSA-N 1 2 242.319 1.481 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N[C@H]2C=CCC2)c1 ZINC000853800403 588764196 /nfs/dbraw/zinc/76/41/96/588764196.db2.gz SADRIHDRVILHMX-NSHDSACASA-N 1 2 232.283 1.928 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](O)C2(C)C)cc[nH+]1 ZINC000853899498 588767801 /nfs/dbraw/zinc/76/78/01/588767801.db2.gz WZLUBHJTDUCZNO-SNVBAGLBSA-N 1 2 235.331 1.950 20 0 BDADLO CC(C)c1nc(N2CC[C@H](O)C2(C)C)cc[nH+]1 ZINC000853899496 588767852 /nfs/dbraw/zinc/76/78/52/588767852.db2.gz WZLUBHJTDUCZNO-JTQLQIEISA-N 1 2 235.331 1.950 20 0 BDADLO Cc1ccncc1Cc1noc([C@H](C)[NH+](C)C)n1 ZINC000854101456 588774615 /nfs/dbraw/zinc/77/46/15/588774615.db2.gz WTEJRJJJTYLAFH-JTQLQIEISA-N 1 2 246.314 1.986 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc([C@H]2C[C@@H]2C)no1 ZINC000854140539 588776418 /nfs/dbraw/zinc/77/64/18/588776418.db2.gz GVAYSMDBFRKECV-CIUDSAMLSA-N 1 2 225.292 1.618 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000854292237 588782714 /nfs/dbraw/zinc/78/27/14/588782714.db2.gz CHXHCFULTZKNLK-SSDOTTSWSA-N 1 2 212.318 1.642 20 0 BDADLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H](C)C(C)C ZINC000854511215 588789857 /nfs/dbraw/zinc/78/98/57/588789857.db2.gz ZBUAMVTVCJONTI-SNVBAGLBSA-N 1 2 223.320 1.845 20 0 BDADLO Cc1ccoc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854601083 588796530 /nfs/dbraw/zinc/79/65/30/588796530.db2.gz LTFCWDOYNHRIOW-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO C[C@@H](NC(=O)/C=C/[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594219 588796488 /nfs/dbraw/zinc/79/64/88/588796488.db2.gz HMWVVNVDPPZOKO-HLKOZVMDSA-N 1 2 235.287 1.180 20 0 BDADLO C[C@@H](NC(=O)C=C[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000854594219 588796489 /nfs/dbraw/zinc/79/64/89/588796489.db2.gz HMWVVNVDPPZOKO-HLKOZVMDSA-N 1 2 235.287 1.180 20 0 BDADLO CSC(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000854498705 588789650 /nfs/dbraw/zinc/78/96/50/588789650.db2.gz KJEHMNASOUIHGU-UHFFFAOYSA-N 1 2 227.333 1.178 20 0 BDADLO CC(C)[C@@H]1N(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000854637516 588798692 /nfs/dbraw/zinc/79/86/92/588798692.db2.gz FKWDTMRJHYMQQT-LBPRGKRZSA-N 1 2 235.331 1.845 20 0 BDADLO CO[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000854684825 588801211 /nfs/dbraw/zinc/80/12/11/588801211.db2.gz GJEJBJOOZJFKKT-WDEREUQCSA-N 1 2 249.314 1.259 20 0 BDADLO CC(C)(CNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000854817430 588812250 /nfs/dbraw/zinc/81/22/50/588812250.db2.gz QMXMYAVQJLGJTD-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CO[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000854912958 588816523 /nfs/dbraw/zinc/81/65/23/588816523.db2.gz KVUZKKSGGWBEGJ-ZJUUUORDSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854917372 588816818 /nfs/dbraw/zinc/81/68/18/588816818.db2.gz NYDHCCVAKCHYKP-KXUCPTDWSA-N 1 2 219.288 1.257 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1ccc(F)cn1 ZINC000855135999 588823307 /nfs/dbraw/zinc/82/33/07/588823307.db2.gz KTUJUSJNBMYNAN-UHFFFAOYSA-N 1 2 248.261 1.145 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1ccc(F)cn1 ZINC000855135999 588823308 /nfs/dbraw/zinc/82/33/08/588823308.db2.gz KTUJUSJNBMYNAN-UHFFFAOYSA-N 1 2 248.261 1.145 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC=CO1 ZINC000855135410 588823449 /nfs/dbraw/zinc/82/34/49/588823449.db2.gz JAUCWPCFPRYMKM-SNVBAGLBSA-N 1 2 221.260 1.061 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC=CO1 ZINC000855135410 588823450 /nfs/dbraw/zinc/82/34/50/588823450.db2.gz JAUCWPCFPRYMKM-SNVBAGLBSA-N 1 2 221.260 1.061 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000859215893 582486526 /nfs/dbraw/zinc/48/65/26/582486526.db2.gz ATTPMRXUBCQONP-ZJUUUORDSA-N 1 2 219.288 1.931 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000859215893 582486527 /nfs/dbraw/zinc/48/65/27/582486527.db2.gz ATTPMRXUBCQONP-ZJUUUORDSA-N 1 2 219.288 1.931 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H]3C[C@H]32)[nH+]1 ZINC000804689681 582527244 /nfs/dbraw/zinc/52/72/44/582527244.db2.gz ROKAOKQMFMAOMV-WCBMZHEXSA-N 1 2 214.272 1.865 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000890767530 582543283 /nfs/dbraw/zinc/54/32/83/582543283.db2.gz RAFHIBCSDGSPEW-ZYHUDNBSSA-N 1 2 233.315 1.434 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450942 582589315 /nfs/dbraw/zinc/58/93/15/582589315.db2.gz NECKMDLJRUVUCY-BBBLOLIVSA-N 1 2 247.285 1.915 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450942 582589316 /nfs/dbraw/zinc/58/93/16/582589316.db2.gz NECKMDLJRUVUCY-BBBLOLIVSA-N 1 2 247.285 1.915 20 0 BDADLO Cc1cnc(COC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC000844466397 582593827 /nfs/dbraw/zinc/59/38/27/582593827.db2.gz SHTVUOQBRMRGAM-SECBINFHSA-N 1 2 249.270 1.874 20 0 BDADLO Cc1cc(NCc2cnn(C)n2)nc(C2CC2)[nH+]1 ZINC000804849076 582608421 /nfs/dbraw/zinc/60/84/21/582608421.db2.gz BXWRTXMPMIESSZ-UHFFFAOYSA-N 1 2 244.302 1.403 20 0 BDADLO Cc1cc(Br)cc(NCCCO)[nH+]1 ZINC000891409268 582679826 /nfs/dbraw/zinc/67/98/26/582679826.db2.gz DTCZDLQGBQSGPU-UHFFFAOYSA-N 1 2 245.120 1.947 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(C3CC3)CC2)c1 ZINC000891514191 582693864 /nfs/dbraw/zinc/69/38/64/582693864.db2.gz NTOQSZJVXYVEMR-UHFFFAOYSA-N 1 2 233.315 1.269 20 0 BDADLO COc1ccc(C[N@H+](C)CC(=O)NC(C)C)o1 ZINC000891513294 582693870 /nfs/dbraw/zinc/69/38/70/582693870.db2.gz HPSWSMPMZFUFNP-UHFFFAOYSA-N 1 2 240.303 1.245 20 0 BDADLO C[C@H](O)c1cccc(NCc2ccnn2C)[nH+]1 ZINC000891740258 582715930 /nfs/dbraw/zinc/71/59/30/582715930.db2.gz SRFMLLRBYOOBFF-VIFPVBQESA-N 1 2 232.287 1.481 20 0 BDADLO C[C@H](O)c1cccc(NC[C@@H](O)c2ccco2)[nH+]1 ZINC000891778286 582719552 /nfs/dbraw/zinc/71/95/52/582719552.db2.gz LYGINYPGSKCIJS-GXSJLCMTSA-N 1 2 248.282 1.873 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)Cn2cccn2)[nH+]1 ZINC000891793355 582722057 /nfs/dbraw/zinc/72/20/57/582722057.db2.gz KSNBBGXXLZTMDG-GHMZBOCLSA-N 1 2 246.314 1.832 20 0 BDADLO C[C@H](Cn1cccn1)Nc1cc(N(C)C)nc[nH+]1 ZINC000891795815 582723082 /nfs/dbraw/zinc/72/30/82/582723082.db2.gz WMRVEHWCBATMDZ-SNVBAGLBSA-N 1 2 246.318 1.240 20 0 BDADLO C[C@H](Cn1cccn1)Nc1cc(N(C)C)[nH+]cn1 ZINC000891795815 582723086 /nfs/dbraw/zinc/72/30/86/582723086.db2.gz WMRVEHWCBATMDZ-SNVBAGLBSA-N 1 2 246.318 1.240 20 0 BDADLO CN(Cc1[nH+]ccn1C1CC1)Cc1cnccn1 ZINC000891823657 582726443 /nfs/dbraw/zinc/72/64/43/582726443.db2.gz XRUBOZGICGXPKW-UHFFFAOYSA-N 1 2 243.314 1.640 20 0 BDADLO CCOC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891952000 582744391 /nfs/dbraw/zinc/74/43/91/582744391.db2.gz FJUVPSLSADKMQI-UHFFFAOYSA-N 1 2 246.314 1.735 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(NCc3nc[nH]n3)c12 ZINC000891987023 582754048 /nfs/dbraw/zinc/75/40/48/582754048.db2.gz UQLWKWIGVFPEMS-UHFFFAOYSA-N 1 2 243.274 1.251 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(NCc3nnc[nH]3)c12 ZINC000891987023 582754050 /nfs/dbraw/zinc/75/40/50/582754050.db2.gz UQLWKWIGVFPEMS-UHFFFAOYSA-N 1 2 243.274 1.251 20 0 BDADLO CN(Cc1cc[nH]n1)Cc1[nH+]ccn1C1CC1 ZINC000892011955 582761015 /nfs/dbraw/zinc/76/10/15/582761015.db2.gz IXABSOMRWGBGPK-UHFFFAOYSA-N 1 2 231.303 1.573 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cn2ccnc2s1 ZINC000892013787 582761112 /nfs/dbraw/zinc/76/11/12/582761112.db2.gz XOGJJVYGWPKJJD-UHFFFAOYSA-N 1 2 247.327 1.751 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cn2ccnc2s1 ZINC000892013787 582761114 /nfs/dbraw/zinc/76/11/14/582761114.db2.gz XOGJJVYGWPKJJD-UHFFFAOYSA-N 1 2 247.327 1.751 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000892049543 582775341 /nfs/dbraw/zinc/77/53/41/582775341.db2.gz RYSYKVGJPNMNEZ-UWVGGRQHSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000892049543 582775343 /nfs/dbraw/zinc/77/53/43/582775343.db2.gz RYSYKVGJPNMNEZ-UWVGGRQHSA-N 1 2 225.288 1.897 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](C)Cn2cncn2)[nH+]1 ZINC000892126595 582796556 /nfs/dbraw/zinc/79/65/56/582796556.db2.gz FDTLWTQVGPPFDW-UWVGGRQHSA-N 1 2 247.302 1.227 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892253979 582814109 /nfs/dbraw/zinc/81/41/09/582814109.db2.gz IXSASKRMQRBOTH-VIFPVBQESA-N 1 2 206.293 1.389 20 0 BDADLO C[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892253979 582814112 /nfs/dbraw/zinc/81/41/12/582814112.db2.gz IXSASKRMQRBOTH-VIFPVBQESA-N 1 2 206.293 1.389 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000125605636 582825933 /nfs/dbraw/zinc/82/59/33/582825933.db2.gz MCWNYQQWMLSKKK-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000125605636 582825934 /nfs/dbraw/zinc/82/59/34/582825934.db2.gz MCWNYQQWMLSKKK-CYBMUJFWSA-N 1 2 249.358 1.758 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCc2ccoc2)c1 ZINC000892308439 582834873 /nfs/dbraw/zinc/83/48/73/582834873.db2.gz ZDYYXROWRLCHGC-UHFFFAOYSA-N 1 2 234.259 1.013 20 0 BDADLO C[C@H]1CC[N@H+](CN2c3ccccc3C(=O)C2=O)C1 ZINC000725779045 582849053 /nfs/dbraw/zinc/84/90/53/582849053.db2.gz KPCYDJZTDDFFOG-JTQLQIEISA-N 1 2 244.294 1.515 20 0 BDADLO C[C@H]1CC[N@@H+](CN2c3ccccc3C(=O)C2=O)C1 ZINC000725779045 582849055 /nfs/dbraw/zinc/84/90/55/582849055.db2.gz KPCYDJZTDDFFOG-JTQLQIEISA-N 1 2 244.294 1.515 20 0 BDADLO CCCNc1cc(N(C)CC[C@@H](C)O)nc[nH+]1 ZINC000135825009 582872204 /nfs/dbraw/zinc/87/22/04/582872204.db2.gz GARPULXLRDCGRS-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCCNc1cc(N(C)CC[C@@H](C)O)[nH+]cn1 ZINC000135825009 582872207 /nfs/dbraw/zinc/87/22/07/582872207.db2.gz GARPULXLRDCGRS-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@H](CO)Nc1cc(NC2CCC2)[nH+]cn1 ZINC000892401392 582876966 /nfs/dbraw/zinc/87/69/66/582876966.db2.gz FYCKREUEGYGQCN-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@H](CO)Nc1cc(NC2CCC2)nc[nH+]1 ZINC000892401392 582876968 /nfs/dbraw/zinc/87/69/68/582876968.db2.gz FYCKREUEGYGQCN-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO CC1(C)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1(F)F ZINC000856069155 588859416 /nfs/dbraw/zinc/85/94/16/588859416.db2.gz LNYCHXDTOKEVSL-SSDOTTSWSA-N 1 2 243.257 1.360 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1cc(NC)nc[nH+]1 ZINC000892502833 582899988 /nfs/dbraw/zinc/89/99/88/582899988.db2.gz XOZUOEAVNAQDOX-BDAKNGLRSA-N 1 2 224.308 1.337 20 0 BDADLO CCc1cc(CNc2nccn3c[nH+]cc23)[nH]n1 ZINC000892505452 582900811 /nfs/dbraw/zinc/90/08/11/582900811.db2.gz XTHGEKGBCKGYNI-UHFFFAOYSA-N 1 2 242.286 1.627 20 0 BDADLO CCc1cc(CNc2nccn3c[nH+]cc23)n[nH]1 ZINC000892505452 582900813 /nfs/dbraw/zinc/90/08/13/582900813.db2.gz XTHGEKGBCKGYNI-UHFFFAOYSA-N 1 2 242.286 1.627 20 0 BDADLO C[C@@H](O)c1cccc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000892558671 582913737 /nfs/dbraw/zinc/91/37/37/582913737.db2.gz ATLNOSNYUOWLNV-SECBINFHSA-N 1 2 232.287 1.494 20 0 BDADLO Cc1cc(N2CC[C@@H](CO)C2)nc(C2CCC2)[nH+]1 ZINC000892636945 582935344 /nfs/dbraw/zinc/93/53/44/582935344.db2.gz IMVBWPYAKVLSKC-LLVKDONJSA-N 1 2 247.342 1.871 20 0 BDADLO C[C@H]1C[C@H](C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000892641976 582936350 /nfs/dbraw/zinc/93/63/50/582936350.db2.gz HWERWKSFCFJHPV-UWVGGRQHSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@H]1C[C@H](C)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC000892641976 582936352 /nfs/dbraw/zinc/93/63/52/582936352.db2.gz HWERWKSFCFJHPV-UWVGGRQHSA-N 1 2 220.320 1.777 20 0 BDADLO C[C@H](O)c1cccc(N[C@H](CCO)C2CC2)[nH+]1 ZINC000892658321 582942466 /nfs/dbraw/zinc/94/24/66/582942466.db2.gz UJZCHJNPYBPHBW-JOYOIKCWSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1cnn(C)c1 ZINC000892664047 582944772 /nfs/dbraw/zinc/94/47/72/582944772.db2.gz XQWUQBVMDGWKGX-SECBINFHSA-N 1 2 246.318 1.449 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1cnn(C)c1 ZINC000892664047 582944774 /nfs/dbraw/zinc/94/47/74/582944774.db2.gz XQWUQBVMDGWKGX-SECBINFHSA-N 1 2 246.318 1.449 20 0 BDADLO CS/C=C\C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277598 588866656 /nfs/dbraw/zinc/86/66/56/588866656.db2.gz MOSNFORHYSIAIE-RBMBQVQZSA-N 1 2 225.317 1.474 20 0 BDADLO C[C@@H](NC(=O)C(=O)C(C)(C)C)c1[nH+]ccn1C ZINC000856277026 588866728 /nfs/dbraw/zinc/86/67/28/588866728.db2.gz GGBWHDUMCKTAAV-MRVPVSSYSA-N 1 2 237.303 1.213 20 0 BDADLO C/C=C(/C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277032 588866747 /nfs/dbraw/zinc/86/67/47/588866747.db2.gz GJISYGMUWAJBDW-BZJXQOFCSA-N 1 2 207.277 1.564 20 0 BDADLO CC(C)(C)n1nccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000856279731 588866845 /nfs/dbraw/zinc/86/68/45/588866845.db2.gz HKDZMXQDHMDEQH-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO Cc1cc(NCc2cn[nH]n2)nc(C2CCC2)[nH+]1 ZINC000892785237 582982059 /nfs/dbraw/zinc/98/20/59/582982059.db2.gz DGZGDFAVHSMJHO-UHFFFAOYSA-N 1 2 244.302 1.783 20 0 BDADLO Cc1cc(NCc2c[nH]nn2)nc(C2CCC2)[nH+]1 ZINC000892785237 582982060 /nfs/dbraw/zinc/98/20/60/582982060.db2.gz DGZGDFAVHSMJHO-UHFFFAOYSA-N 1 2 244.302 1.783 20 0 BDADLO CCOC[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892792833 582983439 /nfs/dbraw/zinc/98/34/39/582983439.db2.gz PBGVAPZISPSPHM-NSHDSACASA-N 1 2 246.314 1.592 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOCC1CCC1 ZINC000856352782 588870549 /nfs/dbraw/zinc/87/05/49/588870549.db2.gz NFOACSKZKUJFLM-GHMZBOCLSA-N 1 2 249.314 1.372 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCCS2)[nH+]cn1 ZINC000892883718 583004632 /nfs/dbraw/zinc/00/46/32/583004632.db2.gz DJGNETZFTIUQRP-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCCS2)nc[nH+]1 ZINC000892883718 583004635 /nfs/dbraw/zinc/00/46/35/583004635.db2.gz DJGNETZFTIUQRP-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC000892959830 583021167 /nfs/dbraw/zinc/02/11/67/583021167.db2.gz QBQNWEFYMZLRAY-DCAQKATOSA-N 1 2 236.315 1.850 20 0 BDADLO Cc1c[nH+]ccc1CCNc1cnc(CO)cn1 ZINC000892977738 583024942 /nfs/dbraw/zinc/02/49/42/583024942.db2.gz VQGVRNQNLQXBAF-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc(C3CC3)s2)[nH]n1 ZINC000893027693 583031895 /nfs/dbraw/zinc/03/18/95/583031895.db2.gz CDZURQLFKRNJSD-UHFFFAOYSA-N 1 2 249.343 1.737 20 0 BDADLO CN(C)c1cc(N2CC[C@@H](C3CC3)C2)nc[nH+]1 ZINC000893046768 583037570 /nfs/dbraw/zinc/03/75/70/583037570.db2.gz IIFRQVCHAXOGCX-LLVKDONJSA-N 1 2 232.331 1.779 20 0 BDADLO CN(C)c1cc(N2CC[C@@H](C3CC3)C2)[nH+]cn1 ZINC000893046768 583037571 /nfs/dbraw/zinc/03/75/71/583037571.db2.gz IIFRQVCHAXOGCX-LLVKDONJSA-N 1 2 232.331 1.779 20 0 BDADLO CCc1cc(NCc2ccn(C)n2)nc(CC)[nH+]1 ZINC000893051119 583037606 /nfs/dbraw/zinc/03/76/06/583037606.db2.gz QZVVTRNAEMHIEM-UHFFFAOYSA-N 1 2 245.330 1.947 20 0 BDADLO CCc1cc(N2CC(C)(OC)C2)nc(CC)[nH+]1 ZINC000893058818 583039794 /nfs/dbraw/zinc/03/97/94/583039794.db2.gz MGDZYJAQKBVHIT-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO CNc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)[nH+]cn1 ZINC000893194261 583068914 /nfs/dbraw/zinc/06/89/14/583068914.db2.gz FEZJSYPYRNYPRO-GHMZBOCLSA-N 1 2 248.330 1.888 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893231530 583074966 /nfs/dbraw/zinc/07/49/66/583074966.db2.gz VJQFFJTXQVZVTI-CBZSPVTBSA-N 1 2 236.315 1.874 20 0 BDADLO CCc1cc(N2CC[C@H](O)[C@H](C)C2)nc(CC)[nH+]1 ZINC000893268642 583081032 /nfs/dbraw/zinc/08/10/32/583081032.db2.gz HGRUIPLXINGKIB-PWSUYJOCSA-N 1 2 249.358 1.809 20 0 BDADLO C[C@H](O)c1cccc(N2CCC[C@@H]2CCO)[nH+]1 ZINC000893274684 583082542 /nfs/dbraw/zinc/08/25/42/583082542.db2.gz QLLYSQUFIIXNNG-WDEREUQCSA-N 1 2 236.315 1.486 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C=CCC1 ZINC000855435271 583105303 /nfs/dbraw/zinc/10/53/03/583105303.db2.gz ASBISCSOVUQZGJ-ZJUUUORDSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C=CCC1 ZINC000855435271 583105305 /nfs/dbraw/zinc/10/53/05/583105305.db2.gz ASBISCSOVUQZGJ-ZJUUUORDSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](C)c2ncn(C)n2)[nH+]1 ZINC000893367393 583126950 /nfs/dbraw/zinc/12/69/50/583126950.db2.gz LNRJWEDPFWHXBC-IUCAKERBSA-N 1 2 247.302 1.437 20 0 BDADLO C[C@H](O)c1cccc(NCc2cccnn2)[nH+]1 ZINC000893521366 583156922 /nfs/dbraw/zinc/15/69/22/583156922.db2.gz DBNYKVNDVRLKDG-VIFPVBQESA-N 1 2 230.271 1.537 20 0 BDADLO COc1nccc(C[N@H+](C)C2CC(O)C2)c1F ZINC000893577561 583166717 /nfs/dbraw/zinc/16/67/17/583166717.db2.gz GLOMNJVFSNRMFV-UHFFFAOYSA-N 1 2 240.278 1.184 20 0 BDADLO COc1nccc(C[N@@H+](C)C2CC(O)C2)c1F ZINC000893577561 583166718 /nfs/dbraw/zinc/16/67/18/583166718.db2.gz GLOMNJVFSNRMFV-UHFFFAOYSA-N 1 2 240.278 1.184 20 0 BDADLO CNc1cc(N2CCC=C(C)C2)nc[nH+]1 ZINC000893663399 583190874 /nfs/dbraw/zinc/19/08/74/583190874.db2.gz GMRXRHYPVXUVTC-UHFFFAOYSA-N 1 2 204.277 1.675 20 0 BDADLO CNc1cc(N2CCC=C(C)C2)[nH+]cn1 ZINC000893663399 583190876 /nfs/dbraw/zinc/19/08/76/583190876.db2.gz GMRXRHYPVXUVTC-UHFFFAOYSA-N 1 2 204.277 1.675 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(Cl)n1 ZINC000857049609 588884329 /nfs/dbraw/zinc/88/43/29/588884329.db2.gz MZOGFONVEHRURJ-GXSJLCMTSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(Cl)n1 ZINC000857049609 588884330 /nfs/dbraw/zinc/88/43/30/588884330.db2.gz MZOGFONVEHRURJ-GXSJLCMTSA-N 1 2 241.722 1.030 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000857049774 588884854 /nfs/dbraw/zinc/88/48/54/588884854.db2.gz SXIDPBIEARWAQY-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC[C@@H](F)C1 ZINC000857049774 588884856 /nfs/dbraw/zinc/88/48/56/588884856.db2.gz SXIDPBIEARWAQY-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c(C)o1 ZINC000840979514 583214847 /nfs/dbraw/zinc/21/48/47/583214847.db2.gz SQGHLWSMHLIQEV-MFKMUULPSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c(C)o1 ZINC000840979514 583214849 /nfs/dbraw/zinc/21/48/49/583214849.db2.gz SQGHLWSMHLIQEV-MFKMUULPSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(N2CCOCCN2)[nH+]c(C2CCC2)n1 ZINC000893806440 583226897 /nfs/dbraw/zinc/22/68/97/583226897.db2.gz BFJOGQYNKROEEG-UHFFFAOYSA-N 1 2 248.330 1.394 20 0 BDADLO CO[C@H](C)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000893846551 583232119 /nfs/dbraw/zinc/23/21/19/583232119.db2.gz MYAWBOMJABHIOK-SECBINFHSA-N 1 2 224.308 1.014 20 0 BDADLO CO[C@H](C)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC000893846551 583232121 /nfs/dbraw/zinc/23/21/21/583232121.db2.gz MYAWBOMJABHIOK-SECBINFHSA-N 1 2 224.308 1.014 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000857099921 588886822 /nfs/dbraw/zinc/88/68/22/588886822.db2.gz VNONWFDOKDZHOD-SFYZADRCSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000857099921 588886823 /nfs/dbraw/zinc/88/68/23/588886823.db2.gz VNONWFDOKDZHOD-SFYZADRCSA-N 1 2 237.221 1.576 20 0 BDADLO CC[C@H](CNc1cccc([C@@H](C)O)[nH+]1)OC ZINC000893916396 583247213 /nfs/dbraw/zinc/24/72/13/583247213.db2.gz APRYQBHDUMBCFF-NXEZZACHSA-N 1 2 224.304 1.972 20 0 BDADLO CC[N@H+](C)Cc1nc(Br)nn1C ZINC000893921992 583248482 /nfs/dbraw/zinc/24/84/82/583248482.db2.gz WWWLXUDDJGKGHJ-UHFFFAOYSA-N 1 2 233.113 1.029 20 0 BDADLO CC[N@@H+](C)Cc1nc(Br)nn1C ZINC000893921992 583248485 /nfs/dbraw/zinc/24/84/85/583248485.db2.gz WWWLXUDDJGKGHJ-UHFFFAOYSA-N 1 2 233.113 1.029 20 0 BDADLO COC[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)C(=O)OC ZINC000893951891 583260713 /nfs/dbraw/zinc/26/07/13/583260713.db2.gz RQOLSUZPVORFOB-NHCYSSNCSA-N 1 2 241.331 1.343 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(O)cc(Cl)c1 ZINC000893965349 583262493 /nfs/dbraw/zinc/26/24/93/583262493.db2.gz NZOQBCYEXIVKFQ-UHFFFAOYSA-N 1 2 242.706 1.353 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(O)cc(Cl)c1 ZINC000893965349 583262494 /nfs/dbraw/zinc/26/24/94/583262494.db2.gz NZOQBCYEXIVKFQ-UHFFFAOYSA-N 1 2 242.706 1.353 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncnn2C)o1 ZINC000893965071 583262534 /nfs/dbraw/zinc/26/25/34/583262534.db2.gz XPMQRIVDBMDKPU-MRVPVSSYSA-N 1 2 236.275 1.268 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(CC(C)C)nc1 ZINC000893965199 583263091 /nfs/dbraw/zinc/26/30/91/583263091.db2.gz LWZTZDVLZDCFKC-UHFFFAOYSA-N 1 2 249.358 1.587 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(CC(C)C)nc1 ZINC000893965199 583263093 /nfs/dbraw/zinc/26/30/93/583263093.db2.gz LWZTZDVLZDCFKC-UHFFFAOYSA-N 1 2 249.358 1.587 20 0 BDADLO C[C@@H](CCO)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000894015309 583275892 /nfs/dbraw/zinc/27/58/92/583275892.db2.gz GYLSGLKXICJBIE-MNOVXSKESA-N 1 2 238.331 1.955 20 0 BDADLO Cc1ccnc(N)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000894028431 583282033 /nfs/dbraw/zinc/28/20/33/583282033.db2.gz YIIHMGJCGGCTMM-UHFFFAOYSA-N 1 2 231.303 1.327 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000894028431 583282035 /nfs/dbraw/zinc/28/20/35/583282035.db2.gz YIIHMGJCGGCTMM-UHFFFAOYSA-N 1 2 231.303 1.327 20 0 BDADLO Cc1coc(C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000894027431 583282071 /nfs/dbraw/zinc/28/20/71/583282071.db2.gz NDTIPMLZKPPEQI-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1coc(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000894027431 583282072 /nfs/dbraw/zinc/28/20/72/583282072.db2.gz NDTIPMLZKPPEQI-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1coc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000894030043 583282146 /nfs/dbraw/zinc/28/21/46/583282146.db2.gz DVJMXVOXYUHOEX-PHIMTYICSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000894030043 583282148 /nfs/dbraw/zinc/28/21/48/583282148.db2.gz DVJMXVOXYUHOEX-PHIMTYICSA-N 1 2 207.273 1.951 20 0 BDADLO Cc1ncoc1C[N@@H+](C)Cc1cccn1C ZINC000894043118 583285964 /nfs/dbraw/zinc/28/59/64/583285964.db2.gz OGSYCMBIJHYLCC-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1ccc[nH+]c1CCNc1cnc(CO)cn1 ZINC000894057566 583290589 /nfs/dbraw/zinc/29/05/89/583290589.db2.gz YZVIUBJVHZAZPG-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO CC[C@@H](Nc1cc(N(C)C)nc[nH+]1)[C@@H](C)O ZINC000894076833 583297665 /nfs/dbraw/zinc/29/76/65/583297665.db2.gz PNDFVGUOTDJVBB-RKDXNWHRSA-N 1 2 224.308 1.114 20 0 BDADLO CC[C@@H](Nc1cc(N(C)C)[nH+]cn1)[C@@H](C)O ZINC000894076833 583297667 /nfs/dbraw/zinc/29/76/67/583297667.db2.gz PNDFVGUOTDJVBB-RKDXNWHRSA-N 1 2 224.308 1.114 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000894096583 583300760 /nfs/dbraw/zinc/30/07/60/583300760.db2.gz WDLQADMTHTWGJU-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000894096583 583300763 /nfs/dbraw/zinc/30/07/63/583300763.db2.gz WDLQADMTHTWGJU-JQWIXIFHSA-N 1 2 225.288 1.170 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H](C)CCO ZINC000397659739 583323646 /nfs/dbraw/zinc/32/36/46/583323646.db2.gz KTDQGIFQKSVHNK-SNVBAGLBSA-N 1 2 224.304 1.911 20 0 BDADLO CNc1cc(N[C@H](C)c2ccn(C)n2)nc[nH+]1 ZINC000894168220 583324102 /nfs/dbraw/zinc/32/41/02/583324102.db2.gz QVFWFBXUUIMMRY-MRVPVSSYSA-N 1 2 232.291 1.425 20 0 BDADLO CNc1cc(N[C@H](C)c2ccn(C)n2)[nH+]cn1 ZINC000894168220 583324106 /nfs/dbraw/zinc/32/41/06/583324106.db2.gz QVFWFBXUUIMMRY-MRVPVSSYSA-N 1 2 232.291 1.425 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)CS1 ZINC000894193893 583333577 /nfs/dbraw/zinc/33/35/77/583333577.db2.gz ICMJMDZPNJHGJN-BDAKNGLRSA-N 1 2 238.360 1.849 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)CS1 ZINC000894193893 583333580 /nfs/dbraw/zinc/33/35/80/583333580.db2.gz ICMJMDZPNJHGJN-BDAKNGLRSA-N 1 2 238.360 1.849 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(Cl)cs1)CC2 ZINC000877631427 583339997 /nfs/dbraw/zinc/33/99/97/583339997.db2.gz QYOJQLSQAORXEF-OIBJUYFYSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(Cl)cs1)CC2 ZINC000877631427 583339999 /nfs/dbraw/zinc/33/99/99/583339999.db2.gz QYOJQLSQAORXEF-OIBJUYFYSA-N 1 2 244.747 1.753 20 0 BDADLO CC[C@H]1C[NH+](CN2CCC2=O)C[C@H](CC)O1 ZINC000857236187 588899916 /nfs/dbraw/zinc/89/99/16/588899916.db2.gz DFABXPUIUJERBT-QWRGUYRKSA-N 1 2 226.320 1.066 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CCNC(=O)CC2)[nH+]1 ZINC000894206772 583349681 /nfs/dbraw/zinc/34/96/81/583349681.db2.gz OXILEFZZKSFBOB-NXEZZACHSA-N 1 2 249.314 1.216 20 0 BDADLO Cn1nncc1C[NH2+]Cc1ccsc1Cl ZINC000336733123 583411208 /nfs/dbraw/zinc/41/12/08/583411208.db2.gz MBQWQASBSPTPPQ-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)n1 ZINC000879317879 583422599 /nfs/dbraw/zinc/42/25/99/583422599.db2.gz MYXZSLBNOZYDQL-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)n1 ZINC000879317879 583422600 /nfs/dbraw/zinc/42/26/00/583422600.db2.gz MYXZSLBNOZYDQL-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1ncoc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000894330853 583425092 /nfs/dbraw/zinc/42/50/92/583425092.db2.gz WWZWQMYZXYHJKF-SNVBAGLBSA-N 1 2 232.287 1.353 20 0 BDADLO CCN(CCSC)c1cc(NC)[nH+]cn1 ZINC000894366060 583438666 /nfs/dbraw/zinc/43/86/66/583438666.db2.gz IPGCRLQWJQQNCA-UHFFFAOYSA-N 1 2 226.349 1.708 20 0 BDADLO CCN(CCSC)c1cc(NC)nc[nH+]1 ZINC000894366060 583438667 /nfs/dbraw/zinc/43/86/67/583438667.db2.gz IPGCRLQWJQQNCA-UHFFFAOYSA-N 1 2 226.349 1.708 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](CO)CCF)[nH+]1 ZINC000894401726 583449933 /nfs/dbraw/zinc/44/99/33/583449933.db2.gz DXKSMHQMOOPQFV-BDAKNGLRSA-N 1 2 228.267 1.267 20 0 BDADLO CCOCCOC1C[NH+](Cc2cc(C)co2)C1 ZINC000894414943 583453831 /nfs/dbraw/zinc/45/38/31/583453831.db2.gz JNDBXABOVAYIKG-UHFFFAOYSA-N 1 2 239.315 1.825 20 0 BDADLO CN(C)CC[N@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000894450230 583463876 /nfs/dbraw/zinc/46/38/76/583463876.db2.gz UDCNJFBDWZRZOM-VHSXEESVSA-N 1 2 249.196 1.653 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000894421038 583455349 /nfs/dbraw/zinc/45/53/49/583455349.db2.gz UALQVDQCJFRCTQ-LLVKDONJSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000894421038 583455351 /nfs/dbraw/zinc/45/53/51/583455351.db2.gz UALQVDQCJFRCTQ-LLVKDONJSA-N 1 2 224.304 1.840 20 0 BDADLO CN(C)CC[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000894450230 583463877 /nfs/dbraw/zinc/46/38/77/583463877.db2.gz UDCNJFBDWZRZOM-VHSXEESVSA-N 1 2 249.196 1.653 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnc(F)cc1C ZINC000894465444 583465782 /nfs/dbraw/zinc/46/57/82/583465782.db2.gz VXPXUEBHPGLDQX-UHFFFAOYSA-N 1 2 236.250 1.510 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](C)n3ncnc32)nc[nH+]1 ZINC000894492477 583472382 /nfs/dbraw/zinc/47/23/82/583472382.db2.gz OPSUSVSFPUCICR-SFYZADRCSA-N 1 2 245.290 1.228 20 0 BDADLO CNc1cc(N[C@H]2C[C@@H](C)n3ncnc32)[nH+]cn1 ZINC000894492477 583472384 /nfs/dbraw/zinc/47/23/84/583472384.db2.gz OPSUSVSFPUCICR-SFYZADRCSA-N 1 2 245.290 1.228 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000894497877 583472386 /nfs/dbraw/zinc/47/23/86/583472386.db2.gz QIXRFZNNEJHJSX-ZYHUDNBSSA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000894497877 583472388 /nfs/dbraw/zinc/47/23/88/583472388.db2.gz QIXRFZNNEJHJSX-ZYHUDNBSSA-N 1 2 237.347 1.736 20 0 BDADLO CC[C@@H](CO)Nc1cc(N[C@H]2C=CCC2)nc[nH+]1 ZINC000894523135 583477981 /nfs/dbraw/zinc/47/79/81/583477981.db2.gz UIVYYCOISLYITP-QWRGUYRKSA-N 1 2 248.330 1.790 20 0 BDADLO CC[C@@H](CO)Nc1cc(N[C@H]2C=CCC2)[nH+]cn1 ZINC000894523135 583477982 /nfs/dbraw/zinc/47/79/82/583477982.db2.gz UIVYYCOISLYITP-QWRGUYRKSA-N 1 2 248.330 1.790 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000894533492 583478966 /nfs/dbraw/zinc/47/89/66/583478966.db2.gz NKMNWNYPUUANOB-GXSJLCMTSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000894533492 583478968 /nfs/dbraw/zinc/47/89/68/583478968.db2.gz NKMNWNYPUUANOB-GXSJLCMTSA-N 1 2 240.303 1.219 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCc2ncsc2C1 ZINC000894535687 583479886 /nfs/dbraw/zinc/47/98/86/583479886.db2.gz WDUCHQUCUUDAJA-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1ncoc1C[N@H+]1CCc2ncsc2C1 ZINC000894535687 583479887 /nfs/dbraw/zinc/47/98/87/583479887.db2.gz WDUCHQUCUUDAJA-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000857312639 588905526 /nfs/dbraw/zinc/90/55/26/588905526.db2.gz WVPMCEUMTTXGIT-CYBMUJFWSA-N 1 2 248.326 1.201 20 0 BDADLO CNc1cc(N2CCC[C@@](O)(C3CC3)C2)nc[nH+]1 ZINC000894545551 583481435 /nfs/dbraw/zinc/48/14/35/583481435.db2.gz YLDABUBAIIYFTH-ZDUSSCGKSA-N 1 2 248.330 1.260 20 0 BDADLO CNc1cc(N2CCC[C@@](O)(C3CC3)C2)[nH+]cn1 ZINC000894545551 583481436 /nfs/dbraw/zinc/48/14/36/583481436.db2.gz YLDABUBAIIYFTH-ZDUSSCGKSA-N 1 2 248.330 1.260 20 0 BDADLO c1ncc(C[NH2+]Cc2ccc3c(n2)CCCC3)[nH]1 ZINC000894573488 583486564 /nfs/dbraw/zinc/48/65/64/583486564.db2.gz VGXYGUNWGPXBBD-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO CN(Cc1ccc(CO)o1)Cc1[nH]cc[nH+]1 ZINC000894586760 583489684 /nfs/dbraw/zinc/48/96/84/583489684.db2.gz VAXSGMCNIFUTKD-UHFFFAOYSA-N 1 2 221.260 1.127 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1c(C2CC2)cnn1C ZINC000894586395 583489746 /nfs/dbraw/zinc/48/97/46/583489746.db2.gz DZWFSPPWBYHKCY-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO CC(C)([NH2+]C1CCS(=O)(=O)CC1)C(F)F ZINC000894602448 583490883 /nfs/dbraw/zinc/49/08/83/583490883.db2.gz BBTPEXOENJRIPD-UHFFFAOYSA-N 1 2 241.303 1.197 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@]1(C)CO ZINC000894623793 583496242 /nfs/dbraw/zinc/49/62/42/583496242.db2.gz RAPMKPRESQSPFK-ZWNOBZJWSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2C[C@H](O)C2)[nH+]1 ZINC000894640629 583499012 /nfs/dbraw/zinc/49/90/12/583499012.db2.gz GOUMVFGOMXKABK-IWSPIJDZSA-N 1 2 208.261 1.070 20 0 BDADLO c1cn(C2CC2)c(C[NH+]2CC3(CC3)C2)n1 ZINC000894662749 583500931 /nfs/dbraw/zinc/50/09/31/583500931.db2.gz BPQFNOZSOZADGK-UHFFFAOYSA-N 1 2 203.289 1.814 20 0 BDADLO CN(C)c1cc(N2CC3CC2(C)C3)nc[nH+]1 ZINC000894657300 583501471 /nfs/dbraw/zinc/50/14/71/583501471.db2.gz LPVFELQLUIEYBF-UHFFFAOYSA-N 1 2 218.304 1.531 20 0 BDADLO CN(C)c1cc(N2CC3CC2(C)C3)[nH+]cn1 ZINC000894657300 583501472 /nfs/dbraw/zinc/50/14/72/583501472.db2.gz LPVFELQLUIEYBF-UHFFFAOYSA-N 1 2 218.304 1.531 20 0 BDADLO Cc1cc(F)ncc1C[NH2+]C(CF)CF ZINC000894667772 583501863 /nfs/dbraw/zinc/50/18/63/583501863.db2.gz NBLCCAFVOCQMGF-UHFFFAOYSA-N 1 2 218.222 1.926 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000894679054 583505250 /nfs/dbraw/zinc/50/52/50/583505250.db2.gz JRIKYKIYEJTRIY-TXEJJXNPSA-N 1 2 223.272 1.188 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000894679054 583505251 /nfs/dbraw/zinc/50/52/51/583505251.db2.gz JRIKYKIYEJTRIY-TXEJJXNPSA-N 1 2 223.272 1.188 20 0 BDADLO CCOC1C[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000894819332 583525017 /nfs/dbraw/zinc/52/50/17/583525017.db2.gz LPBDYZGGJAJPBE-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO Cc1nc(N2CC(c3ccccn3)C2)cc[nH+]1 ZINC000894845464 583530741 /nfs/dbraw/zinc/53/07/41/583530741.db2.gz JYMAIGLGHLCZPT-UHFFFAOYSA-N 1 2 226.283 1.784 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(SCCCO)c12 ZINC000894871397 583539414 /nfs/dbraw/zinc/53/94/14/583539414.db2.gz DMRBGZGTWWPGBY-UHFFFAOYSA-N 1 2 237.328 1.995 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000894913405 583554708 /nfs/dbraw/zinc/55/47/08/583554708.db2.gz NHXVHYQYIOTUPK-ADEWGFFLSA-N 1 2 248.330 1.408 20 0 BDADLO CCc1ncc(C[NH2+][C@@H](C)c2cnccn2)o1 ZINC000894917277 583555396 /nfs/dbraw/zinc/55/53/96/583555396.db2.gz LNJHIWKIFXEUDO-VIFPVBQESA-N 1 2 232.287 1.878 20 0 BDADLO C[C@H](O)c1cccc(NCC[C@H](O)C(F)F)[nH+]1 ZINC000894916815 583555658 /nfs/dbraw/zinc/55/56/58/583555658.db2.gz XEHUFEKXTNPDGL-CBAPKCEASA-N 1 2 246.257 1.563 20 0 BDADLO CC(C)c1c[nH]c(CN2CC(O)(C(C)C)C2)[nH+]1 ZINC000894970837 583561412 /nfs/dbraw/zinc/56/14/12/583561412.db2.gz NANWIFFKEKEXAO-UHFFFAOYSA-N 1 2 237.347 1.736 20 0 BDADLO Cc1coc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000895014758 583568861 /nfs/dbraw/zinc/56/88/61/583568861.db2.gz NFDYAWLFGGDYTJ-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000895014758 583568863 /nfs/dbraw/zinc/56/88/63/583568863.db2.gz NFDYAWLFGGDYTJ-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ocnc2C)n1 ZINC000895050380 583573672 /nfs/dbraw/zinc/57/36/72/583573672.db2.gz BKGIYXNTPJOJFN-UHFFFAOYSA-N 1 2 235.291 1.193 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)CC1 ZINC000881613016 583581295 /nfs/dbraw/zinc/58/12/95/583581295.db2.gz OMDYMHJZZKVZCU-SECBINFHSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)CC1 ZINC000881613016 583581296 /nfs/dbraw/zinc/58/12/96/583581296.db2.gz OMDYMHJZZKVZCU-SECBINFHSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](CC(=O)N1CCC(F)CC1)n1cc[nH+]c1 ZINC000881613590 583581912 /nfs/dbraw/zinc/58/19/12/583581912.db2.gz HNKXPTMYRQTQQR-JTQLQIEISA-N 1 2 239.294 1.795 20 0 BDADLO O=C(NC/C=C\Cl)N[C@@H]1CCn2cc[nH+]c21 ZINC000895078958 583582124 /nfs/dbraw/zinc/58/21/24/583582124.db2.gz ZQHNITIGRNDLPE-XKKRXVNHSA-N 1 2 240.694 1.380 20 0 BDADLO CNc1cc(N[C@@H](C)c2nccnc2C)nc[nH+]1 ZINC000895087241 583584867 /nfs/dbraw/zinc/58/48/67/583584867.db2.gz HPRHAKIMFODTKY-VIFPVBQESA-N 1 2 244.302 1.790 20 0 BDADLO CNc1cc(N[C@@H](C)c2nccnc2C)[nH+]cn1 ZINC000895087241 583584870 /nfs/dbraw/zinc/58/48/70/583584870.db2.gz HPRHAKIMFODTKY-VIFPVBQESA-N 1 2 244.302 1.790 20 0 BDADLO FC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000895132197 583600896 /nfs/dbraw/zinc/60/08/96/583600896.db2.gz PTNIPLVCRTZTQL-JTQLQIEISA-N 1 2 234.278 1.915 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC000895148789 583605571 /nfs/dbraw/zinc/60/55/71/583605571.db2.gz OXCSEZOCMPPQDG-QWRGUYRKSA-N 1 2 242.363 1.859 20 0 BDADLO CCc1cc[nH+]cc1NCc1cn(CC)nn1 ZINC000895166715 583611532 /nfs/dbraw/zinc/61/15/32/583611532.db2.gz WJIOAPZYZCYIMS-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO CCn1nncc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857871879 588917403 /nfs/dbraw/zinc/91/74/03/588917403.db2.gz XYGZZLMCCFCTKS-LLVKDONJSA-N 1 2 246.318 1.188 20 0 BDADLO CCn1nncc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857871879 588917405 /nfs/dbraw/zinc/91/74/05/588917405.db2.gz XYGZZLMCCFCTKS-LLVKDONJSA-N 1 2 246.318 1.188 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)nn1 ZINC000857870257 588917609 /nfs/dbraw/zinc/91/76/09/588917609.db2.gz DKHOMDXCNCZKDX-NSHDSACASA-N 1 2 246.318 1.188 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)nn1 ZINC000857870257 588917610 /nfs/dbraw/zinc/91/76/10/588917610.db2.gz DKHOMDXCNCZKDX-NSHDSACASA-N 1 2 246.318 1.188 20 0 BDADLO OC/C=C/C[NH2+]Cc1nnc(C2CC2)s1 ZINC000895339662 583653795 /nfs/dbraw/zinc/65/37/95/583653795.db2.gz VJUZGBZUSNAXQS-OWOJBTEDSA-N 1 2 225.317 1.054 20 0 BDADLO c1cc(C[NH2+]CCN2CCc3ccccc32)[nH]n1 ZINC000727468868 583657272 /nfs/dbraw/zinc/65/72/72/583657272.db2.gz UANCXGPJVNCUHI-UHFFFAOYSA-N 1 2 242.326 1.562 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@@H+]1Cc2ccncc2C1 ZINC000857879209 588919336 /nfs/dbraw/zinc/91/93/36/588919336.db2.gz WHOLGVVEOWGIOJ-LBPRGKRZSA-N 1 2 247.342 1.118 20 0 BDADLO C[C@@H](CN1CCOCC1)[N@H+]1Cc2ccncc2C1 ZINC000857879209 588919337 /nfs/dbraw/zinc/91/93/37/588919337.db2.gz WHOLGVVEOWGIOJ-LBPRGKRZSA-N 1 2 247.342 1.118 20 0 BDADLO CO[C@H]1COCC[C@@H]1N(C)c1cc[nH+]cc1F ZINC000882937342 583660008 /nfs/dbraw/zinc/66/00/08/583660008.db2.gz NATNBXKKMGLBEK-RYUDHWBXSA-N 1 2 240.278 1.461 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1(C2CC2)CCC1 ZINC000895363201 583660030 /nfs/dbraw/zinc/66/00/30/583660030.db2.gz ARNFMPIXVWXVEG-UHFFFAOYSA-N 1 2 233.315 1.722 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1C ZINC000895376681 583661311 /nfs/dbraw/zinc/66/13/11/583661311.db2.gz IAZSDHYXZKWBOU-BXKDBHETSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1C ZINC000895376681 583661312 /nfs/dbraw/zinc/66/13/12/583661312.db2.gz IAZSDHYXZKWBOU-BXKDBHETSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1nc([C@H]2CCN(c3cc(C)[nH+]cn3)C2)no1 ZINC000895397915 583665409 /nfs/dbraw/zinc/66/54/09/583665409.db2.gz SWDSCKPREKLEFT-JTQLQIEISA-N 1 2 245.286 1.470 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2ocnc2C)CCO1 ZINC000895415077 583667594 /nfs/dbraw/zinc/66/75/94/583667594.db2.gz KROTXIBBKKADLQ-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2ocnc2C)CCO1 ZINC000895415077 583667595 /nfs/dbraw/zinc/66/75/95/583667595.db2.gz KROTXIBBKKADLQ-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@@H]2COCC2(C)C)c1 ZINC000895417548 583667641 /nfs/dbraw/zinc/66/76/41/583667641.db2.gz CBWIIESKAWSYSI-GFCCVEGCSA-N 1 2 235.331 1.985 20 0 BDADLO CN(C)c1cc[nH+]c(CNc2ncc(F)cn2)c1 ZINC000895465999 583679017 /nfs/dbraw/zinc/67/90/17/583679017.db2.gz OYIVPCYMRZFXKR-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO C[C@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887800 588921056 /nfs/dbraw/zinc/92/10/56/588921056.db2.gz OWQZABKMGZYXHN-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO CCc1nc(NC/C=C(/C)C(=O)OC)cc[nH+]1 ZINC000895507935 583681409 /nfs/dbraw/zinc/68/14/09/583681409.db2.gz CWIFJIPLQDRORK-UITAMQMPSA-N 1 2 235.287 1.570 20 0 BDADLO COC(=O)/C(C)=C\CNc1nc[nH+]c(C)c1C ZINC000895508724 583681843 /nfs/dbraw/zinc/68/18/43/583681843.db2.gz LESMRAKBNFMVQS-YVMONPNESA-N 1 2 235.287 1.625 20 0 BDADLO COc1nccnc1C[NH+]1CCC(F)CC1 ZINC000895546724 583690174 /nfs/dbraw/zinc/69/01/74/583690174.db2.gz BQTUHRNMFZKOAE-UHFFFAOYSA-N 1 2 225.267 1.419 20 0 BDADLO CCn1ncc(CNCc2[nH+]ccn2C2CC2)n1 ZINC000895560129 583691160 /nfs/dbraw/zinc/69/11/60/583691160.db2.gz FUWXXUJVZOULDT-UHFFFAOYSA-N 1 2 246.318 1.119 20 0 BDADLO c1ncc(C[NH+]2CC(CC3CCOCC3)C2)[nH]1 ZINC000895615043 583695856 /nfs/dbraw/zinc/69/58/56/583695856.db2.gz GDPPBDNTKVWIDR-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000895653591 583701426 /nfs/dbraw/zinc/70/14/26/583701426.db2.gz NVVTTWSNOXXREN-CABZTGNLSA-N 1 2 238.356 1.833 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)s1 ZINC000895653591 583701427 /nfs/dbraw/zinc/70/14/27/583701427.db2.gz NVVTTWSNOXXREN-CABZTGNLSA-N 1 2 238.356 1.833 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cn3cccc(F)c3n1)C2 ZINC000895651796 583703091 /nfs/dbraw/zinc/70/30/91/583703091.db2.gz CFUBEDRRVYZBAG-NOZJJQNGSA-N 1 2 247.273 1.040 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cn3cccc(F)c3n1)C2 ZINC000895651796 583703093 /nfs/dbraw/zinc/70/30/93/583703093.db2.gz CFUBEDRRVYZBAG-NOZJJQNGSA-N 1 2 247.273 1.040 20 0 BDADLO CC(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)=C1CCC1 ZINC000857941414 588924456 /nfs/dbraw/zinc/92/44/56/588924456.db2.gz GBLOPUIUJRTHLY-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2cnn(CC3CCC3)c2)n1 ZINC000895704140 583710187 /nfs/dbraw/zinc/71/01/87/583710187.db2.gz JYBQNNNABAEVEZ-UHFFFAOYSA-N 1 2 245.330 1.696 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](C)O ZINC000895743322 583715894 /nfs/dbraw/zinc/71/58/94/583715894.db2.gz GGSSENYQSKHXOF-AXFHLTTASA-N 1 2 231.336 1.181 20 0 BDADLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ncco1 ZINC000895763613 583722457 /nfs/dbraw/zinc/72/24/57/583722457.db2.gz DIRIQFPWZVAQFM-SCVCMEIPSA-N 1 2 235.331 1.808 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857948116 588924798 /nfs/dbraw/zinc/92/47/98/588924798.db2.gz XZHMMGGYVPDTOM-LFJXOHPOSA-N 1 2 233.315 1.670 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857948113 588925062 /nfs/dbraw/zinc/92/50/62/588925062.db2.gz XZHMMGGYVPDTOM-CGXZDELUSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@H]1CC[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895808481 583732588 /nfs/dbraw/zinc/73/25/88/583732588.db2.gz JDYPJRYDDBYKIP-CIUDSAMLSA-N 1 2 215.318 1.176 20 0 BDADLO Cc1ccc(CC[NH2+][C@H]2CCOC2=O)cc1C ZINC000895807726 583732892 /nfs/dbraw/zinc/73/28/92/583732892.db2.gz AIIUZLXCJQUIII-ZDUSSCGKSA-N 1 2 233.311 1.751 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1(F)F ZINC000857976393 588925138 /nfs/dbraw/zinc/92/51/38/588925138.db2.gz CWWLETJLRMFUBC-GMSGAONNSA-N 1 2 241.241 1.489 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(C(F)F)CC1 ZINC000857976411 588925386 /nfs/dbraw/zinc/92/53/86/588925386.db2.gz DGJJWVZLYKBBSJ-SSDOTTSWSA-N 1 2 241.241 1.489 20 0 BDADLO COC(C)(C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978212 588925830 /nfs/dbraw/zinc/92/58/30/588925830.db2.gz CPXZWHORTJDRHT-SECBINFHSA-N 1 2 237.303 1.259 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963041 588925945 /nfs/dbraw/zinc/92/59/45/588925945.db2.gz QELMVCWLWAMGFA-LLVKDONJSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)C[C@H]2C[C@H]2C1 ZINC000857976101 588926343 /nfs/dbraw/zinc/92/63/43/588926343.db2.gz XNASYEUHOORONQ-BBGACYKPSA-N 1 2 245.326 1.880 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCC2CC=CC2)c1 ZINC000895960622 583751161 /nfs/dbraw/zinc/75/11/61/583751161.db2.gz GPPMKYTWRIPZKU-UHFFFAOYSA-N 1 2 234.303 1.186 20 0 BDADLO Cc1ncoc1C[NH+]1CC(OC(C)C)C1 ZINC000895956412 583752692 /nfs/dbraw/zinc/75/26/92/583752692.db2.gz MZHKQJQGWKWFLW-UHFFFAOYSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000895962901 583752974 /nfs/dbraw/zinc/75/29/74/583752974.db2.gz DHOCTHZWDDQBGY-GFCCVEGCSA-N 1 2 237.303 1.023 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978431 588926551 /nfs/dbraw/zinc/92/65/51/588926551.db2.gz NWADSBHVNJKNKM-NSHDSACASA-N 1 2 244.298 1.648 20 0 BDADLO CCOC1CC(C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978105 588926854 /nfs/dbraw/zinc/92/68/54/588926854.db2.gz KGOYFBLLPLXKNS-ILDUYXDCSA-N 1 2 249.314 1.259 20 0 BDADLO COCC1C[NH+](Cc2nccn2C(C)C)C1 ZINC000895975303 583756944 /nfs/dbraw/zinc/75/69/44/583756944.db2.gz VFQVODSPGKRUSR-UHFFFAOYSA-N 1 2 223.320 1.542 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)O1 ZINC000857978329 588926936 /nfs/dbraw/zinc/92/69/36/588926936.db2.gz FFAGIDVMSKENGZ-ONGXEEELSA-N 1 2 249.314 1.402 20 0 BDADLO COCC1(CC(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857977785 588926950 /nfs/dbraw/zinc/92/69/50/588926950.db2.gz ZLKPPWPIYCLMGW-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)(F)F ZINC000857978866 588927039 /nfs/dbraw/zinc/92/70/39/588927039.db2.gz RDTYNOPYQSPAOQ-JGVFFNPUSA-N 1 2 243.257 1.735 20 0 BDADLO CC(C)(C)c1coc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000896020771 583763944 /nfs/dbraw/zinc/76/39/44/583763944.db2.gz CSBXHOPEDBCWBL-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1coc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000896020771 583763946 /nfs/dbraw/zinc/76/39/46/583763946.db2.gz CSBXHOPEDBCWBL-ZANVPECISA-N 1 2 236.315 1.539 20 0 BDADLO Cc1cc(CCNc2cc[nH+]c(C)n2)nn1C ZINC000896027237 583765055 /nfs/dbraw/zinc/76/50/55/583765055.db2.gz IVARIQPLPNIKPJ-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO COC[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981706 588927764 /nfs/dbraw/zinc/92/77/64/588927764.db2.gz ASTREYJPWJGVRZ-VHSXEESVSA-N 1 2 237.303 1.117 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981927 588927805 /nfs/dbraw/zinc/92/78/05/588927805.db2.gz CMLLPXPTTZXTJS-SNVBAGLBSA-N 1 2 230.271 1.394 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1C ZINC000896089269 583769462 /nfs/dbraw/zinc/76/94/62/583769462.db2.gz PPPWBYUTHCGDCP-UTUOFQBUSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@@H](O)c1ccc(NCC[C@@H]2CNC(=O)C2)[nH+]c1 ZINC000896133336 583774991 /nfs/dbraw/zinc/77/49/91/583774991.db2.gz FVQQRFYDLFUPDB-ZJUUUORDSA-N 1 2 249.314 1.073 20 0 BDADLO COCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984191 588928449 /nfs/dbraw/zinc/92/84/49/588928449.db2.gz HIDMDKFJLHRQRJ-SNVBAGLBSA-N 1 2 237.303 1.261 20 0 BDADLO c1ccc(NCC2CC3(C2)OCCO3)[nH+]c1 ZINC000896160280 583777233 /nfs/dbraw/zinc/77/72/33/583777233.db2.gz ZQJANJQRGNICGL-UHFFFAOYSA-N 1 2 220.272 1.647 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cn1nc2ccccn2c1=O ZINC000727824121 583779006 /nfs/dbraw/zinc/77/90/06/583779006.db2.gz MFBFZXPUPFTVNH-NSHDSACASA-N 1 2 246.314 1.328 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cn1nc2ccccn2c1=O ZINC000727824121 583779008 /nfs/dbraw/zinc/77/90/08/583779008.db2.gz MFBFZXPUPFTVNH-NSHDSACASA-N 1 2 246.314 1.328 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccnc(F)c1 ZINC000857983871 588928773 /nfs/dbraw/zinc/92/87/73/588928773.db2.gz DRIKXTKTEDQTOB-SECBINFHSA-N 1 2 246.245 1.292 20 0 BDADLO O=C(/C=C\C1CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983737 588928783 /nfs/dbraw/zinc/92/87/83/588928783.db2.gz DCEFGHRXLSAYIV-UMBAGQNISA-N 1 2 217.272 1.410 20 0 BDADLO CSCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986991 588929046 /nfs/dbraw/zinc/92/90/46/588929046.db2.gz QSYCJQZIJHCAOD-SECBINFHSA-N 1 2 239.344 1.587 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)o1 ZINC000857987814 588929134 /nfs/dbraw/zinc/92/91/34/588929134.db2.gz AMVBVGDMNXJOHD-LLVKDONJSA-N 1 2 245.282 1.968 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986801 588929527 /nfs/dbraw/zinc/92/95/27/588929527.db2.gz SQVIUMBPEJEXJI-SNVBAGLBSA-N 1 2 230.271 1.394 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)no1 ZINC000857990310 588929812 /nfs/dbraw/zinc/92/98/12/588929812.db2.gz NERULABQOSKMJJ-MRVPVSSYSA-N 1 2 232.243 1.054 20 0 BDADLO FC(F)(F)C1CN(Cc2c[nH+]c[nH]2)C1 ZINC000857995313 588929852 /nfs/dbraw/zinc/92/98/52/588929852.db2.gz BZWLGMCRDYNVSK-UHFFFAOYSA-N 1 2 205.183 1.404 20 0 BDADLO FC(F)(F)C1CN(Cc2c[nH]c[nH+]2)C1 ZINC000857995313 588929853 /nfs/dbraw/zinc/92/98/53/588929853.db2.gz BZWLGMCRDYNVSK-UHFFFAOYSA-N 1 2 205.183 1.404 20 0 BDADLO C/C=C/C=C\C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857992415 588929966 /nfs/dbraw/zinc/92/99/66/588929966.db2.gz XXWYRGWIBMKWNA-WZKPRXTQSA-N 1 2 217.272 1.576 20 0 BDADLO CO[C@H](C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997999 588930700 /nfs/dbraw/zinc/93/07/00/588930700.db2.gz YRWJFSRVSZXHFH-SECBINFHSA-N 1 2 235.287 1.183 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@H](COC)OC)no1 ZINC000896652111 583820931 /nfs/dbraw/zinc/82/09/31/583820931.db2.gz IADUQZLRPIPLLN-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@H](COC)OC)no1 ZINC000896652111 583820933 /nfs/dbraw/zinc/82/09/33/583820933.db2.gz IADUQZLRPIPLLN-VIFPVBQESA-N 1 2 243.307 1.245 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H]2C[C@H](CO)C2)[nH+]c1 ZINC000896695499 583824546 /nfs/dbraw/zinc/82/45/46/583824546.db2.gz UYUDMBRQBLSFQF-FXPVBKGRSA-N 1 2 222.288 1.318 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC[C@]23C[C@H]2CCC3)c1 ZINC000896746682 583830058 /nfs/dbraw/zinc/83/00/58/583830058.db2.gz DWXHOKMHQSCZSY-MFKMUULPSA-N 1 2 248.330 1.410 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C2CC2)CC1 ZINC000896800807 583835077 /nfs/dbraw/zinc/83/50/77/583835077.db2.gz KJVLZOPEOZUHMP-UHFFFAOYSA-N 1 2 219.288 1.525 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000896925869 583858030 /nfs/dbraw/zinc/85/80/30/583858030.db2.gz CFRBUPTZCORADX-ZJUUUORDSA-N 1 2 214.309 1.078 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(F)cc1O ZINC000336157821 583844181 /nfs/dbraw/zinc/84/41/81/583844181.db2.gz QZERCHSLVQMLAU-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO CCC[C@@H](OCC)C(=O)NC1=[NH+]CCS1 ZINC000858170350 588936723 /nfs/dbraw/zinc/93/67/23/588936723.db2.gz JJLBGYMCURNRND-MRVPVSSYSA-N 1 2 230.333 1.411 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[nH+]c1C ZINC000896906891 583851667 /nfs/dbraw/zinc/85/16/67/583851667.db2.gz GZLUWKSTNQIMDI-URLYPYJESA-N 1 2 233.315 1.689 20 0 BDADLO FCC(CF)[NH2+]Cc1cccc2n[nH]cc21 ZINC000858170917 588936806 /nfs/dbraw/zinc/93/68/06/588936806.db2.gz QPLLKEICPCWJBN-UHFFFAOYSA-N 1 2 225.242 1.960 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(C)CCC2)[nH+]c1C ZINC000896916252 583854948 /nfs/dbraw/zinc/85/49/48/583854948.db2.gz AMORYKYYNLUDBU-UHFFFAOYSA-N 1 2 221.304 1.833 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cccc(F)n2)[nH+]c1C ZINC000896917135 583855247 /nfs/dbraw/zinc/85/52/47/583855247.db2.gz XXXXMVFNRKKICZ-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000896924412 583857568 /nfs/dbraw/zinc/85/75/68/583857568.db2.gz MFMCLZABVRRNNK-RYUDHWBXSA-N 1 2 240.347 1.779 20 0 BDADLO CSCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896927480 583859143 /nfs/dbraw/zinc/85/91/43/583859143.db2.gz MTVQBODBSVLPMS-UHFFFAOYSA-N 1 2 227.333 1.396 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CC12CC(O)C2 ZINC000897086298 583878435 /nfs/dbraw/zinc/87/84/35/583878435.db2.gz CVIKUMWELGCQRY-NBBOBHDQSA-N 1 2 235.287 1.119 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000897143144 583882936 /nfs/dbraw/zinc/88/29/36/583882936.db2.gz ZAFXJRUXGNAIDC-GHMZBOCLSA-N 1 2 248.330 1.665 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000897143144 583882937 /nfs/dbraw/zinc/88/29/37/583882937.db2.gz ZAFXJRUXGNAIDC-GHMZBOCLSA-N 1 2 248.330 1.665 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)[C@@H]1CC[C@@H]1OC ZINC000897141984 583883527 /nfs/dbraw/zinc/88/35/27/583883527.db2.gz DWGUODCCWQMFNI-ZJUUUORDSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1cc(N2CCCCCNC(=O)CC2)nc[nH+]1 ZINC000897159172 583886151 /nfs/dbraw/zinc/88/61/51/583886151.db2.gz ARVHANPPGIKRSJ-UHFFFAOYSA-N 1 2 248.330 1.282 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)nc(N)[nH+]1 ZINC000897177907 583890579 /nfs/dbraw/zinc/89/05/79/583890579.db2.gz XFWBPSNXFYJLQF-XHNCKOQMSA-N 1 2 219.292 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@@H]3CCC[C@H]23)[nH+]1 ZINC000897177907 583890580 /nfs/dbraw/zinc/89/05/80/583890580.db2.gz XFWBPSNXFYJLQF-XHNCKOQMSA-N 1 2 219.292 1.363 20 0 BDADLO CNc1cc(N[C@H](C)Cc2cccnc2)nc[nH+]1 ZINC000897195422 583893951 /nfs/dbraw/zinc/89/39/51/583893951.db2.gz JPWRMRAOBLGTKY-SNVBAGLBSA-N 1 2 243.314 1.956 20 0 BDADLO CNc1cc(N[C@H](C)Cc2cccnc2)[nH+]cn1 ZINC000897195422 583893954 /nfs/dbraw/zinc/89/39/54/583893954.db2.gz JPWRMRAOBLGTKY-SNVBAGLBSA-N 1 2 243.314 1.956 20 0 BDADLO CC(=O)CC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000728927397 583937285 /nfs/dbraw/zinc/93/72/85/583937285.db2.gz BTEBIKIQDKBTMK-UHFFFAOYSA-N 1 2 249.314 1.239 20 0 BDADLO CC(=O)CC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000728927397 583937286 /nfs/dbraw/zinc/93/72/86/583937286.db2.gz BTEBIKIQDKBTMK-UHFFFAOYSA-N 1 2 249.314 1.239 20 0 BDADLO CO[C@H]1C[C@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000861307430 583956398 /nfs/dbraw/zinc/95/63/98/583956398.db2.gz OOHCTPLKZVTVBL-GMTAPVOTSA-N 1 2 238.287 1.555 20 0 BDADLO C/C=C/C=C\C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000729247788 583979451 /nfs/dbraw/zinc/97/94/51/583979451.db2.gz QLRYOMKJCGPHDW-IAROGAJJSA-N 1 2 244.294 1.804 20 0 BDADLO CN(C)c1cc(N[C@H]2COC[C@H]2C2CC2)[nH+]cn1 ZINC000897452419 583986061 /nfs/dbraw/zinc/98/60/61/583986061.db2.gz WYVPXWKARCTXBL-QWRGUYRKSA-N 1 2 248.330 1.380 20 0 BDADLO CN(C)c1cc(N[C@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897452419 583986064 /nfs/dbraw/zinc/98/60/64/583986064.db2.gz WYVPXWKARCTXBL-QWRGUYRKSA-N 1 2 248.330 1.380 20 0 BDADLO Cc1nc(N[C@H]2COC[C@H]2C2CC2)cc[nH+]1 ZINC000897446284 583986310 /nfs/dbraw/zinc/98/63/10/583986310.db2.gz DJUJLBRNPPLSCA-QWRGUYRKSA-N 1 2 219.288 1.622 20 0 BDADLO Cc1cc(N[C@@H]2COC[C@@H]2C2CC2)nc[nH+]1 ZINC000897446068 583986655 /nfs/dbraw/zinc/98/66/55/583986655.db2.gz BTZNUZLUQKCGBX-GHMZBOCLSA-N 1 2 219.288 1.622 20 0 BDADLO Cc1cccc2c1CC[N@@H+](Cc1nnnn1C)C2 ZINC000729479635 584015439 /nfs/dbraw/zinc/01/54/39/584015439.db2.gz ANJILHNLAHPPET-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1cccc2c1CC[N@H+](Cc1nnnn1C)C2 ZINC000729479635 584015441 /nfs/dbraw/zinc/01/54/41/584015441.db2.gz ANJILHNLAHPPET-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Fc1nccnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000858375889 588949667 /nfs/dbraw/zinc/94/96/67/588949667.db2.gz FHXIEKNGNBMRFD-UHFFFAOYSA-N 1 2 247.277 1.654 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnc(Cl)c2F)C[C@H]1O ZINC000897680793 584038590 /nfs/dbraw/zinc/03/85/90/584038590.db2.gz WDHQLEFTTZZDKE-IONNQARKSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2F)C[C@H]1O ZINC000897680793 584038592 /nfs/dbraw/zinc/03/85/92/584038592.db2.gz WDHQLEFTTZZDKE-IONNQARKSA-N 1 2 244.697 1.687 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C(=O)OC ZINC000897834282 584052879 /nfs/dbraw/zinc/05/28/79/584052879.db2.gz LQOAIFOYCIBHFI-DJLDLDEBSA-N 1 2 235.274 1.961 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)OC ZINC000897835407 584053644 /nfs/dbraw/zinc/05/36/44/584053644.db2.gz DEDLVUAZNJZYOT-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO COC1(C(F)(F)F)CN(Cc2c[nH+]c[nH]2)C1 ZINC000897880624 584057134 /nfs/dbraw/zinc/05/71/34/584057134.db2.gz VLPDESSNEASQRI-UHFFFAOYSA-N 1 2 235.209 1.173 20 0 BDADLO COC1(C(F)(F)F)CN(Cc2c[nH]c[nH+]2)C1 ZINC000897880624 584057137 /nfs/dbraw/zinc/05/71/37/584057137.db2.gz VLPDESSNEASQRI-UHFFFAOYSA-N 1 2 235.209 1.173 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)nn1 ZINC000898046821 584073623 /nfs/dbraw/zinc/07/36/23/584073623.db2.gz YOGAIGOOMVCQBM-PWSUYJOCSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)nn1 ZINC000898046821 584073624 /nfs/dbraw/zinc/07/36/24/584073624.db2.gz YOGAIGOOMVCQBM-PWSUYJOCSA-N 1 2 238.335 1.155 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1cn(C)cn1 ZINC000898042996 584080746 /nfs/dbraw/zinc/08/07/46/584080746.db2.gz AAFNAOWRUFUPFF-UHFFFAOYSA-N 1 2 247.346 1.796 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cc(F)ncc2F)c1 ZINC000898043619 584081389 /nfs/dbraw/zinc/08/13/89/584081389.db2.gz VYIPYWCGFUQUIB-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cn1c[nH+]c(CNCc2cc(F)ncc2F)c1 ZINC000898043619 584081392 /nfs/dbraw/zinc/08/13/92/584081392.db2.gz VYIPYWCGFUQUIB-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(C2CC2)CC1 ZINC000898099642 584085705 /nfs/dbraw/zinc/08/57/05/584085705.db2.gz XYXMFEADAFSJRL-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898182126 584092989 /nfs/dbraw/zinc/09/29/89/584092989.db2.gz ATPHPTHHCIJBAH-WDEREUQCSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898182126 584092993 /nfs/dbraw/zinc/09/29/93/584092993.db2.gz ATPHPTHHCIJBAH-WDEREUQCSA-N 1 2 213.252 1.493 20 0 BDADLO O[C@H]1CCN(Cc2[nH+]ccn2C2CC2)C[C@H]1F ZINC000898183422 584093129 /nfs/dbraw/zinc/09/31/29/584093129.db2.gz JJZNIUDFDNXCQK-MNOVXSKESA-N 1 2 239.294 1.123 20 0 BDADLO CC(C)c1c[nH]c(CN2CC[C@H](O)[C@@H](F)C2)[nH+]1 ZINC000898183086 584093591 /nfs/dbraw/zinc/09/35/91/584093591.db2.gz HFNZTLZMIPSTPQ-ONGXEEELSA-N 1 2 241.310 1.438 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187371 584093697 /nfs/dbraw/zinc/09/36/97/584093697.db2.gz FPKBSBGEGMVBGT-QWRGUYRKSA-N 1 2 242.269 1.313 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187371 584093698 /nfs/dbraw/zinc/09/36/98/584093698.db2.gz FPKBSBGEGMVBGT-QWRGUYRKSA-N 1 2 242.269 1.313 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c(C)o1 ZINC000898186771 584094448 /nfs/dbraw/zinc/09/44/48/584094448.db2.gz FNKIFVGCFUJNPO-NEPJUHHUSA-N 1 2 227.279 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c(C)o1 ZINC000898186771 584094449 /nfs/dbraw/zinc/09/44/49/584094449.db2.gz FNKIFVGCFUJNPO-NEPJUHHUSA-N 1 2 227.279 1.801 20 0 BDADLO COc1ccc[nH+]c1NC1COC(C)(C)OC1 ZINC000858481922 588959128 /nfs/dbraw/zinc/95/91/28/588959128.db2.gz QAMXFNQUTOVAIQ-UHFFFAOYSA-N 1 2 238.287 1.654 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1CCCC1 ZINC000898483637 584139540 /nfs/dbraw/zinc/13/95/40/584139540.db2.gz MPNHRCKFPHKIPK-LBPRGKRZSA-N 1 2 242.338 1.727 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)C1CCCC1 ZINC000898483637 584139542 /nfs/dbraw/zinc/13/95/42/584139542.db2.gz MPNHRCKFPHKIPK-LBPRGKRZSA-N 1 2 242.338 1.727 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485939 584140046 /nfs/dbraw/zinc/14/00/46/584140046.db2.gz OTBAYCVPVRNVKX-NWDGAFQWSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898485939 584140048 /nfs/dbraw/zinc/14/00/48/584140048.db2.gz OTBAYCVPVRNVKX-NWDGAFQWSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898485938 584140359 /nfs/dbraw/zinc/14/03/59/584140359.db2.gz OTBAYCVPVRNVKX-NEPJUHHUSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898485938 584140360 /nfs/dbraw/zinc/14/03/60/584140360.db2.gz OTBAYCVPVRNVKX-NEPJUHHUSA-N 1 2 244.354 1.973 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000858499966 588960580 /nfs/dbraw/zinc/96/05/80/588960580.db2.gz RSESSPYGLOZILD-IWSPIJDZSA-N 1 2 220.276 1.036 20 0 BDADLO CCC(C)(CC)NC(=O)NCc1cn(C)c[nH+]1 ZINC000898628262 584147148 /nfs/dbraw/zinc/14/71/48/584147148.db2.gz RZWSYQXMIWGXPG-UHFFFAOYSA-N 1 2 238.335 1.798 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC[C@H](F)C2)c1 ZINC000898615548 584147315 /nfs/dbraw/zinc/14/73/15/584147315.db2.gz IEPOAQWOLUFRAP-VIFPVBQESA-N 1 2 240.282 1.064 20 0 BDADLO Cc1conc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898809564 584160099 /nfs/dbraw/zinc/16/00/99/584160099.db2.gz BBSDJGQIEHYODP-MRVPVSSYSA-N 1 2 232.243 1.054 20 0 BDADLO CC[C@H](C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899313 584165143 /nfs/dbraw/zinc/16/51/43/584165143.db2.gz IBGNMAMCEWPRQE-JTQLQIEISA-N 1 2 223.320 1.781 20 0 BDADLO Fc1nccnc1N[C@@H]1CCn2cc[nH+]c21 ZINC000858557736 588965652 /nfs/dbraw/zinc/96/56/52/588965652.db2.gz YAWWRNONGOCULN-SSDOTTSWSA-N 1 2 219.223 1.369 20 0 BDADLO C[C@H]1Cc2cc([NH2+]CCC(N)=O)ccc2O1 ZINC000899896865 584248138 /nfs/dbraw/zinc/24/81/38/584248138.db2.gz QLROFQKQAUVPCI-QMMMGPOBSA-N 1 2 220.272 1.297 20 0 BDADLO CC[C@H](C)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899905492 584251184 /nfs/dbraw/zinc/25/11/84/584251184.db2.gz VKNSALBZRMYKLA-MMRAYRKESA-N 1 2 240.347 1.180 20 0 BDADLO CCOCCCNC(=O)CNc1cccc[nH+]1 ZINC000899932711 584257193 /nfs/dbraw/zinc/25/71/93/584257193.db2.gz WUMAWRZVHMPPCP-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO CCCCN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000899938283 584259041 /nfs/dbraw/zinc/25/90/41/584259041.db2.gz ZWJXYNKUSQVKLD-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO CCC[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000900075664 584269306 /nfs/dbraw/zinc/26/93/06/584269306.db2.gz BMEBTJAGRODCPP-JTQLQIEISA-N 1 2 221.304 1.798 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900116719 584274369 /nfs/dbraw/zinc/27/43/69/584274369.db2.gz VQBKPRVKGBXPAU-SECBINFHSA-N 1 2 209.293 1.455 20 0 BDADLO CC(C)N(C)C(=O)CNc1cccc[nH+]1 ZINC000900119797 584274683 /nfs/dbraw/zinc/27/46/83/584274683.db2.gz WQNBVOKXTRIEDM-UHFFFAOYSA-N 1 2 207.277 1.360 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000900193821 584284945 /nfs/dbraw/zinc/28/49/45/584284945.db2.gz RYLSEECBBXWXHE-UHFFFAOYSA-N 1 2 233.271 1.213 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2c[nH+]c[nH]2)o1 ZINC000900193821 584284946 /nfs/dbraw/zinc/28/49/46/584284946.db2.gz RYLSEECBBXWXHE-UHFFFAOYSA-N 1 2 233.271 1.213 20 0 BDADLO O=C(CCF)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446684 584311534 /nfs/dbraw/zinc/31/15/34/584311534.db2.gz OPAUWQDUBWFYNU-UHFFFAOYSA-N 1 2 225.267 1.475 20 0 BDADLO COC(=O)C1=CC[C@H](Nc2[nH+]cccc2OC)C1 ZINC000858692425 588974665 /nfs/dbraw/zinc/97/46/65/588974665.db2.gz VXFATBDMNYTTIA-JTQLQIEISA-N 1 2 248.282 1.764 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900592674 584329344 /nfs/dbraw/zinc/32/93/44/584329344.db2.gz LBFQVXUACZCOQH-WCBMZHEXSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900592674 584329345 /nfs/dbraw/zinc/32/93/45/584329345.db2.gz LBFQVXUACZCOQH-WCBMZHEXSA-N 1 2 207.277 1.257 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC1CCC1 ZINC000900618508 584333190 /nfs/dbraw/zinc/33/31/90/584333190.db2.gz YKDQIIYTNDEMKW-UHFFFAOYSA-N 1 2 205.261 1.162 20 0 BDADLO Cc1csc(N(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900644482 584338484 /nfs/dbraw/zinc/33/84/84/584338484.db2.gz JIEYNKKUOQPYIA-UHFFFAOYSA-N 1 2 236.300 1.380 20 0 BDADLO Cc1csc(N(C)C(=O)Cc2c[nH]c[nH+]2)n1 ZINC000900644482 584338486 /nfs/dbraw/zinc/33/84/86/584338486.db2.gz JIEYNKKUOQPYIA-UHFFFAOYSA-N 1 2 236.300 1.380 20 0 BDADLO Cc1ncc(C(=O)Nc2cc[nH+]c(C)c2)n1C ZINC000900673258 584339606 /nfs/dbraw/zinc/33/96/06/584339606.db2.gz RZPHYDIIZZHIHW-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO C/C(Cl)=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718388 584344355 /nfs/dbraw/zinc/34/43/55/584344355.db2.gz SEVFLVAAAZZQRU-YWEYNIOJSA-N 1 2 225.679 1.409 20 0 BDADLO CCCC[C@@H](COC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900761636 584346643 /nfs/dbraw/zinc/34/66/43/584346643.db2.gz VBCIRXISRLBKFX-JTQLQIEISA-N 1 2 239.319 1.274 20 0 BDADLO CCCC[C@@H](COC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900761636 584346645 /nfs/dbraw/zinc/34/66/45/584346645.db2.gz VBCIRXISRLBKFX-JTQLQIEISA-N 1 2 239.319 1.274 20 0 BDADLO C[C@H]1CCCN1C(=O)CNc1cccc[nH+]1 ZINC000900896935 584362371 /nfs/dbraw/zinc/36/23/71/584362371.db2.gz ZBTWHIRJMSLHIQ-JTQLQIEISA-N 1 2 219.288 1.504 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900981349 584372614 /nfs/dbraw/zinc/37/26/14/584372614.db2.gz ASXHTUMSNKSSHC-DLGQBQFBSA-N 1 2 249.314 1.053 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900981349 584372615 /nfs/dbraw/zinc/37/26/15/584372615.db2.gz ASXHTUMSNKSSHC-DLGQBQFBSA-N 1 2 249.314 1.053 20 0 BDADLO COC/C(C)=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001309 584373254 /nfs/dbraw/zinc/37/32/54/584373254.db2.gz UBKSKSXKWIINJU-VMPITWQZSA-N 1 2 237.303 1.235 20 0 BDADLO COCC(C)=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001309 584373255 /nfs/dbraw/zinc/37/32/55/584373255.db2.gz UBKSKSXKWIINJU-VMPITWQZSA-N 1 2 237.303 1.235 20 0 BDADLO COc1ccc(NC(=O)Cc2c[nH+]c[nH]2)c(C)n1 ZINC000901051786 584379244 /nfs/dbraw/zinc/37/92/44/584379244.db2.gz VQPFWEXSRUWNNO-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO COc1ccc(NC(=O)Cc2c[nH]c[nH+]2)c(C)n1 ZINC000901051786 584379245 /nfs/dbraw/zinc/37/92/45/584379245.db2.gz VQPFWEXSRUWNNO-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO Cc1cc(C)nc(NC(=O)Cc2c[nH+]c[nH]2)c1 ZINC000901161477 584394362 /nfs/dbraw/zinc/39/43/62/584394362.db2.gz RORLWDJWWIKIAO-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO C/C=C/[C@H](O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000901177227 584396047 /nfs/dbraw/zinc/39/60/47/584396047.db2.gz LIPXYGVGXYATND-QRGHLMKCSA-N 1 2 249.314 1.332 20 0 BDADLO COC[C@H](NC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000901179437 584396444 /nfs/dbraw/zinc/39/64/44/584396444.db2.gz UHBPMEJLKZXVJC-NSHDSACASA-N 1 2 249.314 1.035 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901275145 584413047 /nfs/dbraw/zinc/41/30/47/584413047.db2.gz FDQXGSFJGMPAQB-NXEZZACHSA-N 1 2 221.304 1.457 20 0 BDADLO Cn1c[nH+]cc1C=Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000901506030 584455732 /nfs/dbraw/zinc/45/57/32/584455732.db2.gz JKXREJTUNGQTQW-SNAWJCMRSA-N 1 2 242.282 1.964 20 0 BDADLO O=C1NC(=O)C(=Cc2cn(C3CC3)c[nH+]2)S1 ZINC000901554826 584462555 /nfs/dbraw/zinc/46/25/55/584462555.db2.gz GCMDHGMMQIAZCM-FPYGCLRLSA-N 1 2 235.268 1.542 20 0 BDADLO O=C(OCCF)N1CCC(n2cc[nH+]c2)CC1 ZINC000858927023 588985791 /nfs/dbraw/zinc/98/57/91/588985791.db2.gz FSKBHRJWHPYBPO-UHFFFAOYSA-N 1 2 241.266 1.626 20 0 BDADLO COc1cc[nH+]cc1CSC1COC1 ZINC000901633410 584472359 /nfs/dbraw/zinc/47/23/59/584472359.db2.gz ISUWUBWNBAYLCD-UHFFFAOYSA-N 1 2 211.286 1.722 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cccnc1C)C1CC1 ZINC000901701833 584483094 /nfs/dbraw/zinc/48/30/94/584483094.db2.gz LABCGNBPSYVIMW-CYBMUJFWSA-N 1 2 248.326 1.474 20 0 BDADLO Cc1[nH]c(CNc2nnc(C3CC3)o2)[nH+]c1C ZINC000902037759 584515024 /nfs/dbraw/zinc/51/50/24/584515024.db2.gz FANVPDMFWHFPAE-UHFFFAOYSA-N 1 2 233.275 1.899 20 0 BDADLO OCc1ccc[nH+]c1NCc1nccn1C1CC1 ZINC000902148052 584530872 /nfs/dbraw/zinc/53/08/72/584530872.db2.gz MIWZZHWEHBSSNC-UHFFFAOYSA-N 1 2 244.298 1.717 20 0 BDADLO COc1cc(NCc2c[nH+]cn2C(C)C)ncn1 ZINC000902182929 584533040 /nfs/dbraw/zinc/53/30/40/584533040.db2.gz SFKHAJFYPLUKQM-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC=CCC1)C2=O ZINC000902213505 584535759 /nfs/dbraw/zinc/53/57/59/584535759.db2.gz OUWGZEXNOQSBQK-SMDDNHRTSA-N 1 2 248.326 1.237 20 0 BDADLO CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC=CCC1)C2=O ZINC000902213505 584535760 /nfs/dbraw/zinc/53/57/60/584535760.db2.gz OUWGZEXNOQSBQK-SMDDNHRTSA-N 1 2 248.326 1.237 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCOC2=O)C[C@@H]1F ZINC000902213008 584536023 /nfs/dbraw/zinc/53/60/23/584536023.db2.gz KUWHNMSPMZBZLL-BDAKNGLRSA-N 1 2 216.256 1.076 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCOC2=O)C[C@@H]1F ZINC000902213008 584536026 /nfs/dbraw/zinc/53/60/26/584536026.db2.gz KUWHNMSPMZBZLL-BDAKNGLRSA-N 1 2 216.256 1.076 20 0 BDADLO Cc1cc(NCc2cn(C(C)(C)C)nn2)nc[nH+]1 ZINC000902195061 584536383 /nfs/dbraw/zinc/53/63/83/584536383.db2.gz KILMBVITTSSJKT-UHFFFAOYSA-N 1 2 246.318 1.744 20 0 BDADLO CCn1c[nH+]cc1CNc1cc(C)ncn1 ZINC000902195051 584537014 /nfs/dbraw/zinc/53/70/14/584537014.db2.gz KHPPHOLUTYNHBW-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCc1ncc(NCc2c[nH+]cn2CC)cn1 ZINC000902201350 584537237 /nfs/dbraw/zinc/53/72/37/584537237.db2.gz NXGJSGCVOGFQCJ-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1C[C@@]12CCOC2 ZINC000902220468 584540609 /nfs/dbraw/zinc/54/06/09/584540609.db2.gz DUMHZDHCZBFPMG-ZYHUDNBSSA-N 1 2 242.319 1.336 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cc(C)n[nH]2)c1 ZINC000902260817 584544915 /nfs/dbraw/zinc/54/49/15/584544915.db2.gz UOMVLABMFRAXFJ-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CN1CCOC1=O ZINC000902301451 584553566 /nfs/dbraw/zinc/55/35/66/584553566.db2.gz DFWRIEZFRZCEAZ-MNOVXSKESA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CN1CCOC1=O ZINC000902301451 584553568 /nfs/dbraw/zinc/55/35/68/584553568.db2.gz DFWRIEZFRZCEAZ-MNOVXSKESA-N 1 2 242.319 1.286 20 0 BDADLO CCn1c[nH+]c(CNc2ccn(C)n2)c1 ZINC000902311482 584554978 /nfs/dbraw/zinc/55/49/78/584554978.db2.gz LNDAQDCCZTUQTR-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO CCn1cnc(CNc2ccc(N(C)C)[nH+]c2)c1 ZINC000902316218 584555602 /nfs/dbraw/zinc/55/56/02/584555602.db2.gz FZGHBXWFVOPJHK-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(F)c2)[C@H](C)CO1 ZINC000859059724 588995464 /nfs/dbraw/zinc/99/54/64/588995464.db2.gz JJYQPMCSLSXSIH-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(F)c2)[C@H](C)CO1 ZINC000859059724 588995465 /nfs/dbraw/zinc/99/54/65/588995465.db2.gz JJYQPMCSLSXSIH-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO CCCOC(=O)N(C)CCCn1cc[nH+]c1 ZINC000859071162 588996559 /nfs/dbraw/zinc/99/65/59/588996559.db2.gz RYNRGVQRCWBPEP-UHFFFAOYSA-N 1 2 225.292 1.752 20 0 BDADLO CC[C@@]1(C)OC(=O)N(Cc2ccc(N)[nH+]c2)C1=O ZINC000902443499 584598391 /nfs/dbraw/zinc/59/83/91/584598391.db2.gz LUADTIVYYANLJR-GFCCVEGCSA-N 1 2 249.270 1.311 20 0 BDADLO CCc1c(C)on(CCCc2c[nH+]cn2C)c1=O ZINC000902579206 584638339 /nfs/dbraw/zinc/63/83/39/584638339.db2.gz JJDRGVIJBZWLCA-UHFFFAOYSA-N 1 2 249.314 1.678 20 0 BDADLO CCOc1ccn(Cc2ccc(N)[nH+]c2)n1 ZINC000902580150 584638627 /nfs/dbraw/zinc/63/86/27/584638627.db2.gz KDTXMGUFPJFMLL-UHFFFAOYSA-N 1 2 218.260 1.307 20 0 BDADLO CCc1nc(CNCc2cn(CC)c[nH+]2)co1 ZINC000902583986 584639285 /nfs/dbraw/zinc/63/92/85/584639285.db2.gz HYFJSHZKLJVELK-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO COCCCO[NH+]=C(N)Cc1ccccc1F ZINC000902623664 584640263 /nfs/dbraw/zinc/64/02/63/584640263.db2.gz UWJLCIJIDXUOCZ-UHFFFAOYSA-N 1 2 240.278 1.903 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)Cc1ccccc1F ZINC000902622317 584645217 /nfs/dbraw/zinc/64/52/17/584645217.db2.gz DIOJQAFSNKFVTH-VIFPVBQESA-N 1 2 240.278 1.902 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cn1ccc(-c2cccs2)n1 ZINC000902632830 584647654 /nfs/dbraw/zinc/64/76/54/584647654.db2.gz PNQCZBOPGKNUIC-JTQLQIEISA-N 1 2 249.339 1.636 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cn1ccc(-c2cccs2)n1 ZINC000902632830 584647655 /nfs/dbraw/zinc/64/76/55/584647655.db2.gz PNQCZBOPGKNUIC-JTQLQIEISA-N 1 2 249.339 1.636 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)CN1CCSC1=O ZINC000902640013 584648930 /nfs/dbraw/zinc/64/89/30/584648930.db2.gz SVFYOMXQWXJVBI-BDAKNGLRSA-N 1 2 230.333 1.222 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)CN1CCSC1=O ZINC000902640013 584648931 /nfs/dbraw/zinc/64/89/31/584648931.db2.gz SVFYOMXQWXJVBI-BDAKNGLRSA-N 1 2 230.333 1.222 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC1CC(C)C1 ZINC000902717187 584657897 /nfs/dbraw/zinc/65/78/97/584657897.db2.gz MAOGXPJBDSYJOM-QJAFJHJLSA-N 1 2 200.282 1.566 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)[C@H](C)OC ZINC000902717484 584657955 /nfs/dbraw/zinc/65/79/55/584657955.db2.gz PUYWABRATOFVOI-RDOCRHDPSA-N 1 2 216.281 1.112 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(F)c2)CCO1 ZINC000859073512 588997167 /nfs/dbraw/zinc/99/71/67/588997167.db2.gz JWDPHPWGMOORCL-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(F)c2)CCO1 ZINC000859073512 588997168 /nfs/dbraw/zinc/99/71/68/588997168.db2.gz JWDPHPWGMOORCL-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO Cc1cc(C)c(CNC(=O)OC2COC2)c[nH+]1 ZINC000902944060 584695882 /nfs/dbraw/zinc/69/58/82/584695882.db2.gz XVWDZMHIAUMPDA-UHFFFAOYSA-N 1 2 236.271 1.323 20 0 BDADLO O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@H](F)C2)C1 ZINC000902992123 584709884 /nfs/dbraw/zinc/70/98/84/584709884.db2.gz HLXNHMQLUMVHIZ-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902992123 584709886 /nfs/dbraw/zinc/70/98/86/584709886.db2.gz HLXNHMQLUMVHIZ-MNOVXSKESA-N 1 2 249.351 1.245 20 0 BDADLO O=C1[C@H]([N@@H+]2CCC[C@H](F)C2)CCN1C1CCC1 ZINC000902993097 584710607 /nfs/dbraw/zinc/71/06/07/584710607.db2.gz QMNHOQMZNQGLNA-CMPLNLGQSA-N 1 2 240.322 1.574 20 0 BDADLO O=C1[C@H]([N@H+]2CCC[C@H](F)C2)CCN1C1CCC1 ZINC000902993097 584710608 /nfs/dbraw/zinc/71/06/08/584710608.db2.gz QMNHOQMZNQGLNA-CMPLNLGQSA-N 1 2 240.322 1.574 20 0 BDADLO O=C1[C@H]([N@@H+]2CCC[C@@H](F)C2)CCN1C1CCC1 ZINC000902993100 584710628 /nfs/dbraw/zinc/71/06/28/584710628.db2.gz QMNHOQMZNQGLNA-ZYHUDNBSSA-N 1 2 240.322 1.574 20 0 BDADLO O=C1[C@H]([N@H+]2CCC[C@@H](F)C2)CCN1C1CCC1 ZINC000902993100 584710629 /nfs/dbraw/zinc/71/06/29/584710629.db2.gz QMNHOQMZNQGLNA-ZYHUDNBSSA-N 1 2 240.322 1.574 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@@H](F)C1)C1CC1 ZINC000902996961 584714097 /nfs/dbraw/zinc/71/40/97/584714097.db2.gz YJOUKTYIMZWYFG-SECBINFHSA-N 1 2 214.284 1.041 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@@H](F)C1)C1CC1 ZINC000902996961 584714099 /nfs/dbraw/zinc/71/40/99/584714099.db2.gz YJOUKTYIMZWYFG-SECBINFHSA-N 1 2 214.284 1.041 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@@H](F)C2)n1 ZINC000902996868 584714584 /nfs/dbraw/zinc/71/45/84/584714584.db2.gz YDCJLLFFEXBFRE-NXEZZACHSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H](F)C2)n1 ZINC000902996868 584714585 /nfs/dbraw/zinc/71/45/85/584714585.db2.gz YDCJLLFFEXBFRE-NXEZZACHSA-N 1 2 239.294 1.986 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000362 584715664 /nfs/dbraw/zinc/71/56/64/584715664.db2.gz FPUJEZBFKYCOSC-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000362 584715665 /nfs/dbraw/zinc/71/56/65/584715665.db2.gz FPUJEZBFKYCOSC-UWVGGRQHSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](F)C1 ZINC000903003134 584716178 /nfs/dbraw/zinc/71/61/78/584716178.db2.gz JWXMCHKSSPJWOZ-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H](F)C1 ZINC000903003134 584716179 /nfs/dbraw/zinc/71/61/79/584716179.db2.gz JWXMCHKSSPJWOZ-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903002316 584716403 /nfs/dbraw/zinc/71/64/03/584716403.db2.gz AGHTWUJECNSSFI-SNVBAGLBSA-N 1 2 230.327 1.725 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903002316 584716404 /nfs/dbraw/zinc/71/64/04/584716404.db2.gz AGHTWUJECNSSFI-SNVBAGLBSA-N 1 2 230.327 1.725 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000903003513 584716648 /nfs/dbraw/zinc/71/66/48/584716648.db2.gz NNURIKCNLMZKKR-NSHDSACASA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000903003513 584716650 /nfs/dbraw/zinc/71/66/50/584716650.db2.gz NNURIKCNLMZKKR-NSHDSACASA-N 1 2 230.327 1.727 20 0 BDADLO Cn1c[nH+]c(CNC(=O)OCC(F)(F)F)c1 ZINC000903036642 584719308 /nfs/dbraw/zinc/71/93/08/584719308.db2.gz NSVWZJOOFALQCM-UHFFFAOYSA-N 1 2 237.181 1.209 20 0 BDADLO C[C@@H]([NH2+]C/C=C/Cl)c1cc(CO)on1 ZINC000903446514 584770319 /nfs/dbraw/zinc/77/03/19/584770319.db2.gz YIKAGQWZDOEPAT-TYWZFMJISA-N 1 2 216.668 1.570 20 0 BDADLO C[C@@H](c1noc([C@H](C)[NH+](C)C)n1)[C@H]1CCCO1 ZINC000903816698 584800875 /nfs/dbraw/zinc/80/08/75/584800875.db2.gz OZQVWZMIXNAEQJ-KXUCPTDWSA-N 1 2 239.319 1.975 20 0 BDADLO CCCOCCOC(=O)NCc1c[nH+]cn1C ZINC000859163270 589012260 /nfs/dbraw/zinc/01/22/60/589012260.db2.gz GFHFGQWMSKJWQU-UHFFFAOYSA-N 1 2 241.291 1.073 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(CC(C)(C)O)n1 ZINC000904262116 584859257 /nfs/dbraw/zinc/85/92/57/584859257.db2.gz XAYYKBYCFIPVKK-UHFFFAOYSA-N 1 2 248.286 1.336 20 0 BDADLO CO[C@H](C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257893 584859347 /nfs/dbraw/zinc/85/93/47/584859347.db2.gz FMRBFQAYVGWYQN-SSDOTTSWSA-N 1 2 234.259 1.730 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C\c1ccco1 ZINC000753680802 584903962 /nfs/dbraw/zinc/90/39/62/584903962.db2.gz XEAWTGSNNPQLOT-PLNGDYQASA-N 1 2 245.282 1.385 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C3(C)CC3)cc2C1 ZINC000829441264 584907663 /nfs/dbraw/zinc/90/76/63/584907663.db2.gz KASYDFVRKZGSNA-UHFFFAOYSA-N 1 2 234.303 1.067 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C3(C)CC3)cc2C1 ZINC000829441264 584907664 /nfs/dbraw/zinc/90/76/64/584907664.db2.gz KASYDFVRKZGSNA-UHFFFAOYSA-N 1 2 234.303 1.067 20 0 BDADLO COCc1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000731805364 584929092 /nfs/dbraw/zinc/92/90/92/584929092.db2.gz FAGDFOQHEHQZOO-UHFFFAOYSA-N 1 2 230.227 1.531 20 0 BDADLO CN(C/C=C\Cl)CC[NH+]1CCOCC1 ZINC000732870834 584941558 /nfs/dbraw/zinc/94/15/58/584941558.db2.gz KAPFVOGQCBKIAM-IHWYPQMZSA-N 1 2 218.728 1.003 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)C(F)F ZINC000800217763 584944307 /nfs/dbraw/zinc/94/43/07/584944307.db2.gz HTGGNYJFLDPUNV-YUMQZZPRSA-N 1 2 249.257 1.237 20 0 BDADLO CC(C)[C@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000733294791 584946566 /nfs/dbraw/zinc/94/65/66/584946566.db2.gz CKWRMQLKSBEKLM-LBPRGKRZSA-N 1 2 240.347 1.171 20 0 BDADLO CC(C)[C@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000733294791 584946567 /nfs/dbraw/zinc/94/65/67/584946567.db2.gz CKWRMQLKSBEKLM-LBPRGKRZSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@H](C(=O)NC1=[NH+]CCS1)C(C)(C)C ZINC000734387818 584962027 /nfs/dbraw/zinc/96/20/27/584962027.db2.gz UVTDKEQOYHEOQD-SSDOTTSWSA-N 1 2 214.334 1.888 20 0 BDADLO CC1(C)C[N@H+](Cn2cc(Cl)cn2)CCCO1 ZINC000735297432 584975002 /nfs/dbraw/zinc/97/50/02/584975002.db2.gz IIQWKDFCAISCOK-UHFFFAOYSA-N 1 2 243.738 1.995 20 0 BDADLO CC1(C)C[N@@H+](Cn2cc(Cl)cn2)CCCO1 ZINC000735297432 584975003 /nfs/dbraw/zinc/97/50/03/584975003.db2.gz IIQWKDFCAISCOK-UHFFFAOYSA-N 1 2 243.738 1.995 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781544 585007887 /nfs/dbraw/zinc/00/78/87/585007887.db2.gz KGSLHWAUKPRODP-VGMNWLOBSA-N 1 2 226.345 1.886 20 0 BDADLO O=C(C[C@@H]1CCCCO1)OCCn1cc[nH+]c1 ZINC000772001658 585012041 /nfs/dbraw/zinc/01/20/41/585012041.db2.gz NLWSIKNKDJWCJQ-NSHDSACASA-N 1 2 238.287 1.386 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000821261559 585015742 /nfs/dbraw/zinc/01/57/42/585015742.db2.gz ROMOZYAUNFUQOW-GWCFXTLKSA-N 1 2 218.300 1.965 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000821261559 585015743 /nfs/dbraw/zinc/01/57/43/585015743.db2.gz ROMOZYAUNFUQOW-GWCFXTLKSA-N 1 2 218.300 1.965 20 0 BDADLO CO[C@@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000741969764 585018785 /nfs/dbraw/zinc/01/87/85/585018785.db2.gz JIBDAOBSWKOMJR-VIFPVBQESA-N 1 2 233.271 1.698 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110098 585023870 /nfs/dbraw/zinc/02/38/70/585023870.db2.gz WWCNPKLAPZZEQD-VHSXEESVSA-N 1 2 221.304 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)/C=C\C(C)(C)C)c1 ZINC000890114226 585024124 /nfs/dbraw/zinc/02/41/24/585024124.db2.gz YWCRLNQPZKLKBQ-WAYWQWQTSA-N 1 2 221.304 1.639 20 0 BDADLO CC[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788083322 585030523 /nfs/dbraw/zinc/03/05/23/585030523.db2.gz KGVSPSGROFMPJZ-VHSXEESVSA-N 1 2 217.284 1.620 20 0 BDADLO CC[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788083322 585030524 /nfs/dbraw/zinc/03/05/24/585030524.db2.gz KGVSPSGROFMPJZ-VHSXEESVSA-N 1 2 217.284 1.620 20 0 BDADLO CCCSCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788084528 585038737 /nfs/dbraw/zinc/03/87/37/585038737.db2.gz SAJNRPNTAHSBKF-JTQLQIEISA-N 1 2 249.351 1.717 20 0 BDADLO CCCSCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788084528 585038738 /nfs/dbraw/zinc/03/87/38/585038738.db2.gz SAJNRPNTAHSBKF-JTQLQIEISA-N 1 2 249.351 1.717 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1CCCC1 ZINC000788086296 585039314 /nfs/dbraw/zinc/03/93/14/585039314.db2.gz ZIJZERXDBCFOQX-LLVKDONJSA-N 1 2 229.295 1.764 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1CCCC1 ZINC000788086296 585039315 /nfs/dbraw/zinc/03/93/15/585039315.db2.gz ZIJZERXDBCFOQX-LLVKDONJSA-N 1 2 229.295 1.764 20 0 BDADLO CC1(NC(=O)N[C@@H]2CCn3cc[nH+]c32)CCCC1 ZINC000838278439 585053089 /nfs/dbraw/zinc/05/30/89/585053089.db2.gz VVCISVLTHSEPIS-SNVBAGLBSA-N 1 2 248.330 1.960 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc2c(n1)CCC2 ZINC000838791325 585070269 /nfs/dbraw/zinc/07/02/69/585070269.db2.gz QCLQLBYCSUFZEW-UHFFFAOYSA-N 1 2 247.342 1.138 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc2c(n1)CCC2 ZINC000838791325 585070270 /nfs/dbraw/zinc/07/02/70/585070270.db2.gz QCLQLBYCSUFZEW-UHFFFAOYSA-N 1 2 247.342 1.138 20 0 BDADLO CCn1ncc(C[NH+]2CC(C3CC3)C2)n1 ZINC000839110169 585091704 /nfs/dbraw/zinc/09/17/04/585091704.db2.gz VUPUMFVOEWTEJK-UHFFFAOYSA-N 1 2 206.293 1.140 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839202177 585099581 /nfs/dbraw/zinc/09/95/81/585099581.db2.gz ZKQRCKQQGIEVIZ-GUBZILKMSA-N 1 2 229.345 1.518 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839202177 585099582 /nfs/dbraw/zinc/09/95/82/585099582.db2.gz ZKQRCKQQGIEVIZ-GUBZILKMSA-N 1 2 229.345 1.518 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc2ccccn2c1=O ZINC000740860576 585107696 /nfs/dbraw/zinc/10/76/96/585107696.db2.gz QVWBTSYRYPOMQX-WDEREUQCSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc2ccccn2c1=O ZINC000740860576 585107697 /nfs/dbraw/zinc/10/76/97/585107697.db2.gz QVWBTSYRYPOMQX-WDEREUQCSA-N 1 2 246.314 1.184 20 0 BDADLO COCc1noc(-c2[nH+]c(C)n3ccccc23)n1 ZINC000741447898 585113957 /nfs/dbraw/zinc/11/39/57/585113957.db2.gz RUMJXGQOWUKKRW-UHFFFAOYSA-N 1 2 244.254 1.839 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000741781878 585118531 /nfs/dbraw/zinc/11/85/31/585118531.db2.gz NQCCDRCTUIXHIW-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000741781878 585118532 /nfs/dbraw/zinc/11/85/32/585118532.db2.gz NQCCDRCTUIXHIW-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)[C@@H]1C[N@H+](CCSCC)CCO1 ZINC000741794724 585119472 /nfs/dbraw/zinc/11/94/72/585119472.db2.gz KGVZDXRAQOGEIS-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCOC(=O)[C@@H]1C[N@@H+](CCSCC)CCO1 ZINC000741794724 585119473 /nfs/dbraw/zinc/11/94/73/585119473.db2.gz KGVZDXRAQOGEIS-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO Cn1cnn(C[N@H+](C)C2CCC2)c1=S ZINC000742173238 585122498 /nfs/dbraw/zinc/12/24/98/585122498.db2.gz MPQSYQHAAHKHFE-UHFFFAOYSA-N 1 2 212.322 1.393 20 0 BDADLO Cn1cnn(C[N@@H+](C)C2CCC2)c1=S ZINC000742173238 585122499 /nfs/dbraw/zinc/12/24/99/585122499.db2.gz MPQSYQHAAHKHFE-UHFFFAOYSA-N 1 2 212.322 1.393 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742196085 585123140 /nfs/dbraw/zinc/12/31/40/585123140.db2.gz LNJCFQQNETVRPK-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO Cc1ccsc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742196085 585123141 /nfs/dbraw/zinc/12/31/41/585123141.db2.gz LNJCFQQNETVRPK-JTQLQIEISA-N 1 2 238.356 1.833 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)Cn1cc[nH]c1=S ZINC000743357211 585135668 /nfs/dbraw/zinc/13/56/68/585135668.db2.gz VKHLACDQLUYWGG-JTQLQIEISA-N 1 2 241.360 1.630 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)Cn1cc[nH]c1=S ZINC000743357211 585135669 /nfs/dbraw/zinc/13/56/69/585135669.db2.gz VKHLACDQLUYWGG-JTQLQIEISA-N 1 2 241.360 1.630 20 0 BDADLO COCCOC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000743480852 585137393 /nfs/dbraw/zinc/13/73/93/585137393.db2.gz QNVCDOWSVCQSRV-BDAKNGLRSA-N 1 2 243.307 1.080 20 0 BDADLO OCCCCCCCN1CC[NH+](C2CC2)CC1 ZINC000743841139 585140425 /nfs/dbraw/zinc/14/04/25/585140425.db2.gz QYXMHMKXAGASKF-UHFFFAOYSA-N 1 2 240.391 1.709 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OCc1ccon1 ZINC000744739737 585152545 /nfs/dbraw/zinc/15/25/45/585152545.db2.gz GTFHVFBLAGCFBI-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO CC[C@H]1C[N@H+](Cn2ccsc2=O)CCS1 ZINC000746617061 585171281 /nfs/dbraw/zinc/17/12/81/585171281.db2.gz XPUJLCDCTXZSPZ-VIFPVBQESA-N 1 2 244.385 1.695 20 0 BDADLO CC[C@H]1C[N@@H+](Cn2ccsc2=O)CCS1 ZINC000746617061 585171282 /nfs/dbraw/zinc/17/12/82/585171282.db2.gz XPUJLCDCTXZSPZ-VIFPVBQESA-N 1 2 244.385 1.695 20 0 BDADLO CC(C)C[N@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000746661256 585171881 /nfs/dbraw/zinc/17/18/81/585171881.db2.gz MWNKSGXWQFZMKW-UHFFFAOYSA-N 1 2 249.358 1.667 20 0 BDADLO CC(C)C[N@@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000746661256 585171882 /nfs/dbraw/zinc/17/18/82/585171882.db2.gz MWNKSGXWQFZMKW-UHFFFAOYSA-N 1 2 249.358 1.667 20 0 BDADLO CC[C@@H](SC)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000747590557 585181035 /nfs/dbraw/zinc/18/10/35/585181035.db2.gz LKMKQTWKHCWMBM-VHSXEESVSA-N 1 2 230.377 1.291 20 0 BDADLO CC[C@@H](SC)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000747590557 585181036 /nfs/dbraw/zinc/18/10/36/585181036.db2.gz LKMKQTWKHCWMBM-VHSXEESVSA-N 1 2 230.377 1.291 20 0 BDADLO Cc1ccc(CCC(=O)OCc2c[nH+]cn2C)o1 ZINC000747783391 585184340 /nfs/dbraw/zinc/18/43/40/585184340.db2.gz NRTCGXNKGOBUOZ-UHFFFAOYSA-N 1 2 248.282 1.998 20 0 BDADLO Cc1occc1C(=O)OCc1c[nH+]cn1C ZINC000747782094 585184439 /nfs/dbraw/zinc/18/44/39/585184439.db2.gz ODTGYKBKGGIHGA-UHFFFAOYSA-N 1 2 220.228 1.679 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000748100540 585187008 /nfs/dbraw/zinc/18/70/08/585187008.db2.gz RRXDVIWPWWQURW-VHSXEESVSA-N 1 2 232.324 1.581 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc[nH]c1=S ZINC000747973493 585186106 /nfs/dbraw/zinc/18/61/06/585186106.db2.gz CALJDDYPWPQGQM-UHFFFAOYSA-N 1 2 234.284 1.023 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc[nH]c1=S ZINC000747973493 585186107 /nfs/dbraw/zinc/18/61/07/585186107.db2.gz CALJDDYPWPQGQM-UHFFFAOYSA-N 1 2 234.284 1.023 20 0 BDADLO CCCOCCOC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000859216457 589019917 /nfs/dbraw/zinc/01/99/17/589019917.db2.gz JRXODLQBOMJNFZ-UHFFFAOYSA-N 1 2 241.291 1.405 20 0 BDADLO CCCOCCOC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000859216457 589019918 /nfs/dbraw/zinc/01/99/18/589019918.db2.gz JRXODLQBOMJNFZ-UHFFFAOYSA-N 1 2 241.291 1.405 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCCS2)CC[N@@H+]1C ZINC000748344682 585191152 /nfs/dbraw/zinc/19/11/52/585191152.db2.gz FHWWKLQYZOHLDS-ZJUUUORDSA-N 1 2 228.361 1.045 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCCS2)CC[N@H+]1C ZINC000748344682 585191153 /nfs/dbraw/zinc/19/11/53/585191153.db2.gz FHWWKLQYZOHLDS-ZJUUUORDSA-N 1 2 228.361 1.045 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C1CCC1 ZINC000789770464 585195155 /nfs/dbraw/zinc/19/51/55/585195155.db2.gz AAPFINBVOMLALD-UHFFFAOYSA-N 1 2 208.261 1.306 20 0 BDADLO CS(=O)(=O)CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000748818991 585196539 /nfs/dbraw/zinc/19/65/39/585196539.db2.gz ALEZZCOOVNWIDQ-LBPRGKRZSA-N 1 2 239.340 1.478 20 0 BDADLO CS(=O)(=O)CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000748818991 585196540 /nfs/dbraw/zinc/19/65/40/585196540.db2.gz ALEZZCOOVNWIDQ-LBPRGKRZSA-N 1 2 239.340 1.478 20 0 BDADLO CSCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749975641 585209163 /nfs/dbraw/zinc/20/91/63/585209163.db2.gz MBJPXHZTQQCSLW-UHFFFAOYSA-N 1 2 239.344 1.758 20 0 BDADLO O=C(CCC1CCC1)OCC[NH+]1CCOCC1 ZINC000750393925 585214051 /nfs/dbraw/zinc/21/40/51/585214051.db2.gz ZUCAAKMBWVTSOE-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000750746302 585219070 /nfs/dbraw/zinc/21/90/70/585219070.db2.gz IMWWWNKHCHPPHN-JXDHDYMSSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(\C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000750746302 585219071 /nfs/dbraw/zinc/21/90/71/585219071.db2.gz IMWWWNKHCHPPHN-JXDHDYMSSA-N 1 2 240.347 1.180 20 0 BDADLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCSC ZINC000886945990 585223347 /nfs/dbraw/zinc/22/33/47/585223347.db2.gz FPXROHAKBHOBMZ-ZJUUUORDSA-N 1 2 247.360 1.050 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1Cl ZINC000859216091 589020189 /nfs/dbraw/zinc/02/01/89/589020189.db2.gz FAECXNAOKXYMKU-IONNQARKSA-N 1 2 211.696 1.668 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@H]3C[C@H]32)cc1Cl ZINC000859216091 589020190 /nfs/dbraw/zinc/02/01/90/589020190.db2.gz FAECXNAOKXYMKU-IONNQARKSA-N 1 2 211.696 1.668 20 0 BDADLO C/C=C(/C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000751380562 585228774 /nfs/dbraw/zinc/22/87/74/585228774.db2.gz GNQCNBXHLBNMCR-OQFOIZHKSA-N 1 2 205.261 1.233 20 0 BDADLO Nc1ccc(CCC(=O)OCc2ccon2)c[nH+]1 ZINC000751458500 585230588 /nfs/dbraw/zinc/23/05/88/585230588.db2.gz LTMXESVSAIWWOQ-UHFFFAOYSA-N 1 2 247.254 1.328 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000751476299 585231059 /nfs/dbraw/zinc/23/10/59/585231059.db2.gz YGUMURNVOMVFAS-GFCCVEGCSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1ccccc1[C@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000751476299 585231060 /nfs/dbraw/zinc/23/10/60/585231060.db2.gz YGUMURNVOMVFAS-GFCCVEGCSA-N 1 2 246.314 1.279 20 0 BDADLO CCn1cnn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751925366 585239306 /nfs/dbraw/zinc/23/93/06/585239306.db2.gz NZHOAMYCNLTQDJ-UWVGGRQHSA-N 1 2 240.376 1.979 20 0 BDADLO O=C(NCC[NH+]1CCC1)c1scnc1Cl ZINC000752295559 585244635 /nfs/dbraw/zinc/24/46/35/585244635.db2.gz VYYSWANFORCOBB-UHFFFAOYSA-N 1 2 245.735 1.232 20 0 BDADLO CC[C@H](C)[C@H]1C[N@H+](CCF)CCN1CCF ZINC000753182622 585255088 /nfs/dbraw/zinc/25/50/88/585255088.db2.gz FGDIKHZUMNVQDI-NWDGAFQWSA-N 1 2 234.334 1.958 20 0 BDADLO CC[C@H](C)[C@H]1C[N@@H+](CCF)CCN1CCF ZINC000753182622 585255089 /nfs/dbraw/zinc/25/50/89/585255089.db2.gz FGDIKHZUMNVQDI-NWDGAFQWSA-N 1 2 234.334 1.958 20 0 BDADLO CC[C@@H](C)[C@@H]1C[N@H+](CCF)CCN1CCF ZINC000753182621 585255113 /nfs/dbraw/zinc/25/51/13/585255113.db2.gz FGDIKHZUMNVQDI-NEPJUHHUSA-N 1 2 234.334 1.958 20 0 BDADLO CC[C@@H](C)[C@@H]1C[N@@H+](CCF)CCN1CCF ZINC000753182621 585255114 /nfs/dbraw/zinc/25/51/14/585255114.db2.gz FGDIKHZUMNVQDI-NEPJUHHUSA-N 1 2 234.334 1.958 20 0 BDADLO C[C@H]1CC/C(=C/C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000753607355 585263715 /nfs/dbraw/zinc/26/37/15/585263715.db2.gz DDQCDGUNSFKCKG-RGAIUGGKSA-N 1 2 233.315 1.815 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000753783420 585268922 /nfs/dbraw/zinc/26/89/22/585268922.db2.gz DMLWDYLLSMQWDO-GFCCVEGCSA-N 1 2 237.274 1.881 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCOC1=O ZINC000753783420 585268923 /nfs/dbraw/zinc/26/89/23/585268923.db2.gz DMLWDYLLSMQWDO-GFCCVEGCSA-N 1 2 237.274 1.881 20 0 BDADLO C[C@H]1COCC[N@H+](Cn2cccnc2=S)C1 ZINC000753983403 585274090 /nfs/dbraw/zinc/27/40/90/585274090.db2.gz BOSRFUGSPZOBRQ-SNVBAGLBSA-N 1 2 239.344 1.538 20 0 BDADLO C[C@H]1COCC[N@@H+](Cn2cccnc2=S)C1 ZINC000753983403 585274091 /nfs/dbraw/zinc/27/40/91/585274091.db2.gz BOSRFUGSPZOBRQ-SNVBAGLBSA-N 1 2 239.344 1.538 20 0 BDADLO CCC/C(C)=C/C(=O)NCc1c[nH+]c[nH]1 ZINC000754292750 585282245 /nfs/dbraw/zinc/28/22/45/585282245.db2.gz LEIVFTKOASDFDO-WEVVVXLNSA-N 1 2 207.277 1.772 20 0 BDADLO CCCC(C)=CC(=O)NCc1c[nH]c[nH+]1 ZINC000754292750 585282246 /nfs/dbraw/zinc/28/22/46/585282246.db2.gz LEIVFTKOASDFDO-WEVVVXLNSA-N 1 2 207.277 1.772 20 0 BDADLO O=C(C=Cc1cncc(F)c1)NCc1c[nH+]c[nH]1 ZINC000754295744 585282431 /nfs/dbraw/zinc/28/24/31/585282431.db2.gz AJHQSORHISYZRL-OWOJBTEDSA-N 1 2 246.245 1.273 20 0 BDADLO O=C(C=Cc1cncc(F)c1)NCc1c[nH]c[nH+]1 ZINC000754295744 585282432 /nfs/dbraw/zinc/28/24/32/585282432.db2.gz AJHQSORHISYZRL-OWOJBTEDSA-N 1 2 246.245 1.273 20 0 BDADLO CS/C=C\C(=O)NCc1[nH]c[nH+]c1C ZINC000754355976 585283137 /nfs/dbraw/zinc/28/31/37/585283137.db2.gz VCYKUSPWPLPYSB-ARJAWSKDSA-N 1 2 211.290 1.211 20 0 BDADLO CCCCSCC(=O)OCc1c[nH+]cn1C ZINC000754682835 585289134 /nfs/dbraw/zinc/28/91/34/585289134.db2.gz CYFRYEVKQKYBBT-UHFFFAOYSA-N 1 2 242.344 1.997 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000754686158 585289456 /nfs/dbraw/zinc/28/94/56/585289456.db2.gz YTPQVWIRZLIUIF-JTQLQIEISA-N 1 2 240.303 1.524 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000755070524 585294242 /nfs/dbraw/zinc/29/42/42/585294242.db2.gz BLBLYXXWLRKXEG-NEPJUHHUSA-N 1 2 242.363 1.859 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000755169950 585295628 /nfs/dbraw/zinc/29/56/28/585295628.db2.gz PBGCZWVCQAKSHI-LOWVWBTDSA-N 1 2 243.347 1.875 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCC1CCC1 ZINC000755497977 585300802 /nfs/dbraw/zinc/30/08/02/585300802.db2.gz MOOHITBEQGESRY-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CC1=CC[N@H+](CN2CCSC2=O)CC1 ZINC000755766944 585306310 /nfs/dbraw/zinc/30/63/10/585306310.db2.gz HNTXRQWZBFIWSO-UHFFFAOYSA-N 1 2 212.318 1.765 20 0 BDADLO CCCCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000755950097 585311412 /nfs/dbraw/zinc/31/14/12/585311412.db2.gz NQXMKGRRLJLMSQ-INIZCTEOSA-N 1 2 246.420 1.173 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@H+](C/C=C\Cl)C2)n1 ZINC000839657715 585333851 /nfs/dbraw/zinc/33/38/51/585333851.db2.gz BBBHCUKCBSXRLB-FIFYQCSRSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@@H+](C/C=C\Cl)C2)n1 ZINC000839657715 585333852 /nfs/dbraw/zinc/33/38/52/585333852.db2.gz BBBHCUKCBSXRLB-FIFYQCSRSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](C/C=C\Cl)C2)n[nH]1 ZINC000839657715 585333853 /nfs/dbraw/zinc/33/38/53/585333853.db2.gz BBBHCUKCBSXRLB-FIFYQCSRSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](C/C=C\Cl)C2)n[nH]1 ZINC000839657715 585333854 /nfs/dbraw/zinc/33/38/54/585333854.db2.gz BBBHCUKCBSXRLB-FIFYQCSRSA-N 1 2 226.711 1.655 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000839656272 585333953 /nfs/dbraw/zinc/33/39/53/585333953.db2.gz NWZDPGGPFFKVQT-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(F)(F)C(F)F ZINC000839668398 585334606 /nfs/dbraw/zinc/33/46/06/585334606.db2.gz ATQXXENQZMEZFI-HTQZYQBOSA-N 1 2 243.244 1.980 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(F)(F)C(F)F ZINC000839668398 585334607 /nfs/dbraw/zinc/33/46/07/585334607.db2.gz ATQXXENQZMEZFI-HTQZYQBOSA-N 1 2 243.244 1.980 20 0 BDADLO CCN(C)C(=O)CO[NH+]=C(N)c1ccccc1C ZINC000758771186 585359874 /nfs/dbraw/zinc/35/98/74/585359874.db2.gz ZOJWFMWXNYCAII-UHFFFAOYSA-N 1 2 249.314 1.320 20 0 BDADLO C[N@H+](CCF)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000759343142 585369503 /nfs/dbraw/zinc/36/95/03/585369503.db2.gz RCCLJOWOCYRETR-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO C[N@@H+](CCF)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000759343142 585369504 /nfs/dbraw/zinc/36/95/04/585369504.db2.gz RCCLJOWOCYRETR-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO FCC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000759346536 585370064 /nfs/dbraw/zinc/37/00/64/585370064.db2.gz ZICUYBLFGVFOAY-UHFFFAOYSA-N 1 2 228.233 1.526 20 0 BDADLO FCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000759346536 585370065 /nfs/dbraw/zinc/37/00/65/585370065.db2.gz ZICUYBLFGVFOAY-UHFFFAOYSA-N 1 2 228.233 1.526 20 0 BDADLO COC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759480957 585373694 /nfs/dbraw/zinc/37/36/94/585373694.db2.gz FCZUCBCGHMUASR-ZJUUUORDSA-N 1 2 223.276 1.532 20 0 BDADLO CC(C)c1cnc(C[N@H+](C)C2CC(O)C2)o1 ZINC000759873338 585382183 /nfs/dbraw/zinc/38/21/83/585382183.db2.gz LBANFDJSWXCGRX-UHFFFAOYSA-N 1 2 224.304 1.753 20 0 BDADLO CC(C)c1cnc(C[N@@H+](C)C2CC(O)C2)o1 ZINC000759873338 585382184 /nfs/dbraw/zinc/38/21/84/585382184.db2.gz LBANFDJSWXCGRX-UHFFFAOYSA-N 1 2 224.304 1.753 20 0 BDADLO CS(=O)(=O)C1CC[NH+](C/C=C\Cl)CC1 ZINC000760960634 585402788 /nfs/dbraw/zinc/40/27/88/585402788.db2.gz IQGGBWJLLKPQAW-DJWKRKHSSA-N 1 2 237.752 1.248 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761057329 585404365 /nfs/dbraw/zinc/40/43/65/585404365.db2.gz PWYLHTSJERYTHA-SSDOTTSWSA-N 1 2 235.209 1.762 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761057329 585404366 /nfs/dbraw/zinc/40/43/66/585404366.db2.gz PWYLHTSJERYTHA-SSDOTTSWSA-N 1 2 235.209 1.762 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000761089278 585407788 /nfs/dbraw/zinc/40/77/88/585407788.db2.gz HWMCBTWDXXCXKR-BDAKNGLRSA-N 1 2 207.277 1.616 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000761089278 585407789 /nfs/dbraw/zinc/40/77/89/585407789.db2.gz HWMCBTWDXXCXKR-BDAKNGLRSA-N 1 2 207.277 1.616 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)o1 ZINC000761087210 585407859 /nfs/dbraw/zinc/40/78/59/585407859.db2.gz FLSCHQUTGXYMQN-BDAKNGLRSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]3C[C@@H]32)o1 ZINC000761087210 585407860 /nfs/dbraw/zinc/40/78/60/585407860.db2.gz FLSCHQUTGXYMQN-BDAKNGLRSA-N 1 2 207.277 1.787 20 0 BDADLO FC(F)c1nnc2n1CC[N@@H+](C/C=C/Cl)C2 ZINC000761104280 585409306 /nfs/dbraw/zinc/40/93/06/585409306.db2.gz FZDUFIKTYFXBRB-OWOJBTEDSA-N 1 2 248.664 1.784 20 0 BDADLO FC(F)c1nnc2n1CC[N@H+](C/C=C/Cl)C2 ZINC000761104280 585409307 /nfs/dbraw/zinc/40/93/07/585409307.db2.gz FZDUFIKTYFXBRB-OWOJBTEDSA-N 1 2 248.664 1.784 20 0 BDADLO FC(F)c1nnc2n1CC[N@@H+](C/C=C\Cl)C2 ZINC000761104281 585409629 /nfs/dbraw/zinc/40/96/29/585409629.db2.gz FZDUFIKTYFXBRB-UPHRSURJSA-N 1 2 248.664 1.784 20 0 BDADLO FC(F)c1nnc2n1CC[N@H+](C/C=C\Cl)C2 ZINC000761104281 585409630 /nfs/dbraw/zinc/40/96/30/585409630.db2.gz FZDUFIKTYFXBRB-UPHRSURJSA-N 1 2 248.664 1.784 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)OCc1ccccc1 ZINC000761106510 585409742 /nfs/dbraw/zinc/40/97/42/585409742.db2.gz WNIXERAQYGFZJK-YPMHNXCESA-N 1 2 249.310 1.185 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)OCc1ccccc1 ZINC000761106510 585409743 /nfs/dbraw/zinc/40/97/43/585409743.db2.gz WNIXERAQYGFZJK-YPMHNXCESA-N 1 2 249.310 1.185 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2cnns2)[nH]1 ZINC000859222875 589021679 /nfs/dbraw/zinc/02/16/79/589021679.db2.gz ODAINKRPRQHXPV-VIFPVBQESA-N 1 2 235.316 1.598 20 0 BDADLO COc1cc(CO[NH+]=C(N)[C@@H](C)OC)ccn1 ZINC000762461657 585432667 /nfs/dbraw/zinc/43/26/67/585432667.db2.gz DWVSULRLFZXCHX-MRVPVSSYSA-N 1 2 239.275 1.124 20 0 BDADLO CCCCc1nc(C[NH2+][C@@H](CO)C2CC2)no1 ZINC000763074834 585443082 /nfs/dbraw/zinc/44/30/82/585443082.db2.gz ZPEXFXWBOOUCER-JTQLQIEISA-N 1 2 239.319 1.273 20 0 BDADLO O=C(/C=C\c1ccco1)OCCn1cc[nH+]c1 ZINC000763114428 585443278 /nfs/dbraw/zinc/44/32/78/585443278.db2.gz HQUSHRJYTXDMPZ-ARJAWSKDSA-N 1 2 232.239 1.733 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000763272778 585445642 /nfs/dbraw/zinc/44/56/42/585445642.db2.gz UGEGBQUNHCPQNC-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO CN(C)c1cc(COC(=O)c2cc[nH]n2)cc[nH+]1 ZINC000763295224 585446178 /nfs/dbraw/zinc/44/61/78/585446178.db2.gz ZPCQQGHVHWJUTR-UHFFFAOYSA-N 1 2 246.270 1.228 20 0 BDADLO CC[N@H+](CCc1ccccn1)[C@@H](C)C(=O)OC ZINC000764309724 585463781 /nfs/dbraw/zinc/46/37/81/585463781.db2.gz FSEOAWWLRLZMFR-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CC[N@@H+](CCc1ccccn1)[C@@H](C)C(=O)OC ZINC000764309724 585463782 /nfs/dbraw/zinc/46/37/82/585463782.db2.gz FSEOAWWLRLZMFR-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CC[N@H+](CCc1ccccn1)[C@H]1CCOC1=O ZINC000764322366 585463822 /nfs/dbraw/zinc/46/38/22/585463822.db2.gz BPZHSKBRCRSKPG-LBPRGKRZSA-N 1 2 234.299 1.262 20 0 BDADLO CC[N@@H+](CCc1ccccn1)[C@H]1CCOC1=O ZINC000764322366 585463823 /nfs/dbraw/zinc/46/38/23/585463823.db2.gz BPZHSKBRCRSKPG-LBPRGKRZSA-N 1 2 234.299 1.262 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](O)C(C)(C)C ZINC000764948468 585477806 /nfs/dbraw/zinc/47/78/06/585477806.db2.gz OAJDFRYINHQIPT-SNVBAGLBSA-N 1 2 238.287 1.436 20 0 BDADLO CC=C(C=CC(=O)NCc1c[nH+]c[nH]1)CC ZINC000765619161 585491454 /nfs/dbraw/zinc/49/14/54/585491454.db2.gz HVRNHVIGJRQTDR-YXGJEIQZSA-N 1 2 219.288 1.938 20 0 BDADLO CC=C(C=CC(=O)NCc1c[nH]c[nH+]1)CC ZINC000765619161 585491455 /nfs/dbraw/zinc/49/14/55/585491455.db2.gz HVRNHVIGJRQTDR-YXGJEIQZSA-N 1 2 219.288 1.938 20 0 BDADLO CC(=O)N1CC[N@H+](CCF)CC12CCCCC2 ZINC000766255869 585499495 /nfs/dbraw/zinc/49/94/95/585499495.db2.gz YUDNMFQXZJNVMP-UHFFFAOYSA-N 1 2 242.338 1.823 20 0 BDADLO CC(=O)N1CC[N@@H+](CCF)CC12CCCCC2 ZINC000766255869 585499496 /nfs/dbraw/zinc/49/94/96/585499496.db2.gz YUDNMFQXZJNVMP-UHFFFAOYSA-N 1 2 242.338 1.823 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cnccn1 ZINC000805337610 585510735 /nfs/dbraw/zinc/51/07/35/585510735.db2.gz UAYSKNCJEWRDCZ-UHFFFAOYSA-N 1 2 245.238 1.237 20 0 BDADLO CS[C@@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000766915883 585511645 /nfs/dbraw/zinc/51/16/45/585511645.db2.gz JAKILFSPBMTKNG-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO FCC[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000766941220 585512289 /nfs/dbraw/zinc/51/22/89/585512289.db2.gz SCOVBCWQYSZCRQ-UHFFFAOYSA-N 1 2 219.263 1.932 20 0 BDADLO C[N@@H+]1CCN(C(=O)C(F)(F)F)C(C)(C)C1 ZINC000767129513 585514411 /nfs/dbraw/zinc/51/44/11/585514411.db2.gz XASNKDFTUSFHJA-UHFFFAOYSA-N 1 2 224.226 1.101 20 0 BDADLO C[N@H+]1CCN(C(=O)C(F)(F)F)C(C)(C)C1 ZINC000767129513 585514412 /nfs/dbraw/zinc/51/44/12/585514412.db2.gz XASNKDFTUSFHJA-UHFFFAOYSA-N 1 2 224.226 1.101 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)Cc1nccs1 ZINC000767412685 585519323 /nfs/dbraw/zinc/51/93/23/585519323.db2.gz YCNVNTDQXMEIBC-UHFFFAOYSA-N 1 2 224.329 1.944 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)Cc1nccs1 ZINC000767412685 585519324 /nfs/dbraw/zinc/51/93/24/585519324.db2.gz YCNVNTDQXMEIBC-UHFFFAOYSA-N 1 2 224.329 1.944 20 0 BDADLO CC(C)(C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767499237 585521270 /nfs/dbraw/zinc/52/12/70/585521270.db2.gz HGGAMGHZHYYPQM-PHIMTYICSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767499237 585521271 /nfs/dbraw/zinc/52/12/71/585521271.db2.gz HGGAMGHZHYYPQM-PHIMTYICSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(C[N@H+](C)Cc1ccon1)OCC ZINC000767792294 585526463 /nfs/dbraw/zinc/52/64/63/585526463.db2.gz JXIJFAZDTQAYJA-UHFFFAOYSA-N 1 2 228.292 1.506 20 0 BDADLO CCOC(C[N@@H+](C)Cc1ccon1)OCC ZINC000767792294 585526464 /nfs/dbraw/zinc/52/64/64/585526464.db2.gz JXIJFAZDTQAYJA-UHFFFAOYSA-N 1 2 228.292 1.506 20 0 BDADLO Cc1cc(CO[NH+]=C(N)c2ccccc2)nn1C ZINC000767826571 585526554 /nfs/dbraw/zinc/52/65/54/585526554.db2.gz YMIPERYINNWDTB-UHFFFAOYSA-N 1 2 244.298 1.775 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OC[C@@H]1CCOC1 ZINC000768931233 585546279 /nfs/dbraw/zinc/54/62/79/585546279.db2.gz JCHNBYMNPKZCLI-SECBINFHSA-N 1 2 230.308 1.336 20 0 BDADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(=O)C(C)(C)C ZINC000769145802 585550053 /nfs/dbraw/zinc/55/00/53/585550053.db2.gz PNBMSGKYIPYFPM-UWVGGRQHSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(=O)C(C)(C)C ZINC000769145802 585550054 /nfs/dbraw/zinc/55/00/54/585550054.db2.gz PNBMSGKYIPYFPM-UWVGGRQHSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(F)(F)F ZINC000769145222 585550204 /nfs/dbraw/zinc/55/02/04/585550204.db2.gz MRSKCIFLQATILP-BQBZGAKWSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(F)(F)F ZINC000769145222 585550205 /nfs/dbraw/zinc/55/02/05/585550205.db2.gz MRSKCIFLQATILP-BQBZGAKWSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccn2)CCN1C ZINC000769931247 585566637 /nfs/dbraw/zinc/56/66/37/585566637.db2.gz DBDNSWUTYVZUFW-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccn2)CCN1C ZINC000769931247 585566638 /nfs/dbraw/zinc/56/66/38/585566638.db2.gz DBDNSWUTYVZUFW-NSHDSACASA-N 1 2 205.305 1.218 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@](C)(CO)C2CC2)[nH+]1 ZINC000770462411 585574491 /nfs/dbraw/zinc/57/44/91/585574491.db2.gz LXWUBMOJODROEH-CYBMUJFWSA-N 1 2 246.314 1.839 20 0 BDADLO Cl/C=C(/Cl)C[N@@H+]1CCn2ncnc2C1 ZINC000770686779 585579743 /nfs/dbraw/zinc/57/97/43/585579743.db2.gz UMFDAONNVNUNMJ-XVNBXDOJSA-N 1 2 233.102 1.413 20 0 BDADLO Cl/C=C(/Cl)C[N@H+]1CCn2ncnc2C1 ZINC000770686779 585579744 /nfs/dbraw/zinc/57/97/44/585579744.db2.gz UMFDAONNVNUNMJ-XVNBXDOJSA-N 1 2 233.102 1.413 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@@H](C)c1ncc(C)o1 ZINC000770699634 585580210 /nfs/dbraw/zinc/58/02/10/585580210.db2.gz RIPNFWROUVZILE-SFYZADRCSA-N 1 2 227.264 1.577 20 0 BDADLO CCCOCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770922053 585584266 /nfs/dbraw/zinc/58/42/66/585584266.db2.gz XITMGJLXYHWQFY-UHFFFAOYSA-N 1 2 248.282 1.804 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1CCOC1 ZINC000805427594 585592236 /nfs/dbraw/zinc/59/22/36/585592236.db2.gz HIBAQCCXSVNQAK-VIFPVBQESA-N 1 2 237.255 1.170 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000771802251 585600565 /nfs/dbraw/zinc/60/05/65/585600565.db2.gz NRHMYLHKGNVLSN-CMPLNLGQSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cnn(CCC(=O)OCCn2cc[nH+]c2)c1 ZINC000771928475 585604621 /nfs/dbraw/zinc/60/46/21/585604621.db2.gz FGJMRGYXNYLXDC-UHFFFAOYSA-N 1 2 248.286 1.022 20 0 BDADLO Cc1ccc(COC(=O)[C@@H]2CCCO2)c(C)[nH+]1 ZINC000771933888 585605038 /nfs/dbraw/zinc/60/50/38/585605038.db2.gz KTUBSLXMLBYMTC-LBPRGKRZSA-N 1 2 235.283 1.921 20 0 BDADLO CC(C)c1ocnc1C(=O)OCCn1cc[nH+]c1 ZINC000771959944 585605525 /nfs/dbraw/zinc/60/55/25/585605525.db2.gz SUJUZAMCSLFVEX-UHFFFAOYSA-N 1 2 249.270 1.852 20 0 BDADLO Cc1cccnc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000771975390 585605727 /nfs/dbraw/zinc/60/57/27/585605727.db2.gz CUFKONDWTKWZLP-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cccnc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000771975390 585605728 /nfs/dbraw/zinc/60/57/28/585605728.db2.gz CUFKONDWTKWZLP-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccc(COC(=O)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000772045171 585607546 /nfs/dbraw/zinc/60/75/46/585607546.db2.gz BWLKJCXIAJOTCG-GFCCVEGCSA-N 1 2 235.283 1.778 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772485952 585616212 /nfs/dbraw/zinc/61/62/12/585616212.db2.gz AQIVJCVXHVAZDS-QWRGUYRKSA-N 1 2 222.288 1.718 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(F)CCCC1 ZINC000772789698 585624076 /nfs/dbraw/zinc/62/40/76/585624076.db2.gz MJKLRLLADKVXQT-UHFFFAOYSA-N 1 2 226.251 1.709 20 0 BDADLO CC/C=C/CCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805471566 585624246 /nfs/dbraw/zinc/62/42/46/585624246.db2.gz NYPLIBJKULKQOI-FYJFLYSWSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C/CCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805471566 585624247 /nfs/dbraw/zinc/62/42/47/585624247.db2.gz NYPLIBJKULKQOI-FYJFLYSWSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1CN1CCSC1=O ZINC000772822692 585624722 /nfs/dbraw/zinc/62/47/22/585624722.db2.gz IOCSKXXXMCBGMH-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO C[C@@H]1COCCC[N@H+]1CN1CCSC1=O ZINC000772822692 585624723 /nfs/dbraw/zinc/62/47/23/585624723.db2.gz IOCSKXXXMCBGMH-SECBINFHSA-N 1 2 230.333 1.224 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(F)CCCC1 ZINC000772946335 585628053 /nfs/dbraw/zinc/62/80/53/585628053.db2.gz IQJKYAACJXQIBE-UHFFFAOYSA-N 1 2 225.267 1.351 20 0 BDADLO CON(C)C(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000774758379 585665287 /nfs/dbraw/zinc/66/52/87/585665287.db2.gz DMOMJXBGVAFDDL-UHFFFAOYSA-N 1 2 240.328 1.126 20 0 BDADLO CON(C)C(=O)C[N@H+]1CCc2ccsc2C1 ZINC000774758379 585665288 /nfs/dbraw/zinc/66/52/88/585665288.db2.gz DMOMJXBGVAFDDL-UHFFFAOYSA-N 1 2 240.328 1.126 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCc1cccnc1 ZINC000774838241 585666976 /nfs/dbraw/zinc/66/69/76/585666976.db2.gz CZSVEZARKAHVDZ-UHFFFAOYSA-N 1 2 237.303 1.895 20 0 BDADLO FCC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776608036 585702685 /nfs/dbraw/zinc/70/26/85/585702685.db2.gz MYEPBGHNBFJQBD-ZDUSSCGKSA-N 1 2 223.291 1.899 20 0 BDADLO FCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776608036 585702686 /nfs/dbraw/zinc/70/26/86/585702686.db2.gz MYEPBGHNBFJQBD-ZDUSSCGKSA-N 1 2 223.291 1.899 20 0 BDADLO O=C(NCc1ccoc1)c1cccc2[nH+]ccn21 ZINC000776905683 585706699 /nfs/dbraw/zinc/70/66/99/585706699.db2.gz HWBMGTNAGKUVBP-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO O=C(c1cocn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777454141 585712546 /nfs/dbraw/zinc/71/25/46/585712546.db2.gz SRUWPSLMYABVAB-VIFPVBQESA-N 1 2 232.243 1.375 20 0 BDADLO C(C1OCCO1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000777601026 585716720 /nfs/dbraw/zinc/71/67/20/585716720.db2.gz VADMHIJRZAAQRR-UHFFFAOYSA-N 1 2 227.304 1.004 20 0 BDADLO C(C1OCCO1)[N@H+]1CCOC2(CCCC2)C1 ZINC000777601026 585716721 /nfs/dbraw/zinc/71/67/21/585716721.db2.gz VADMHIJRZAAQRR-UHFFFAOYSA-N 1 2 227.304 1.004 20 0 BDADLO OCC[C@@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000777822387 585720663 /nfs/dbraw/zinc/72/06/63/585720663.db2.gz MNRYAVUNTARLKR-NSHDSACASA-N 1 2 243.310 1.981 20 0 BDADLO COCCC[C@@H](C)C(=O)NC1=[NH+]CCS1 ZINC000777930615 585724029 /nfs/dbraw/zinc/72/40/29/585724029.db2.gz MEGHIVHGVHBONQ-MRVPVSSYSA-N 1 2 230.333 1.268 20 0 BDADLO COCCC[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000778192787 585727205 /nfs/dbraw/zinc/72/72/05/585727205.db2.gz HTZUHEAXCFAHMW-NSHDSACASA-N 1 2 240.303 1.489 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000778230176 585728299 /nfs/dbraw/zinc/72/82/99/585728299.db2.gz BHBVDUXDRUZVSV-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000778230176 585728300 /nfs/dbraw/zinc/72/83/00/585728300.db2.gz BHBVDUXDRUZVSV-SKDRFNHKSA-N 1 2 223.295 1.965 20 0 BDADLO S=c1ncccn1C[N@H+]1CC=CCC1 ZINC000778577455 585737820 /nfs/dbraw/zinc/73/78/20/585737820.db2.gz VARKDVFTMMNCEH-UHFFFAOYSA-N 1 2 207.302 1.832 20 0 BDADLO S=c1ncccn1C[N@@H+]1CC=CCC1 ZINC000778577455 585737821 /nfs/dbraw/zinc/73/78/21/585737821.db2.gz VARKDVFTMMNCEH-UHFFFAOYSA-N 1 2 207.302 1.832 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779095189 585745212 /nfs/dbraw/zinc/74/52/12/585745212.db2.gz HKSICGWFRZOGPH-KSXVILFYSA-N 1 2 219.288 1.280 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c(C)o1 ZINC000779200209 585747075 /nfs/dbraw/zinc/74/70/75/585747075.db2.gz WNIRDDFMICUOAY-SNVBAGLBSA-N 1 2 236.315 1.559 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c(C)o1 ZINC000779200209 585747076 /nfs/dbraw/zinc/74/70/76/585747076.db2.gz WNIRDDFMICUOAY-SNVBAGLBSA-N 1 2 236.315 1.559 20 0 BDADLO CC[C@H](CO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000779777769 585762450 /nfs/dbraw/zinc/76/24/50/585762450.db2.gz UIVPXGMXRXCKLB-SECBINFHSA-N 1 2 233.271 1.291 20 0 BDADLO CC[C@H](CO)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000779826584 585767557 /nfs/dbraw/zinc/76/75/57/585767557.db2.gz FSFYGSJLKPNZEN-NXEZZACHSA-N 1 2 237.303 1.092 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000780245824 585774794 /nfs/dbraw/zinc/77/47/94/585774794.db2.gz PYGRGUOJSHKREK-RYUDHWBXSA-N 1 2 243.347 1.544 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000781617595 585800761 /nfs/dbraw/zinc/80/07/61/585800761.db2.gz BRMHURWSPBJNQY-ZJUUUORDSA-N 1 2 221.304 1.267 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2c1OCO2 ZINC000782221621 585812511 /nfs/dbraw/zinc/81/25/11/585812511.db2.gz ZFWFZRJGTSJTCT-UHFFFAOYSA-N 1 2 231.255 1.761 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c(C)n1 ZINC000782585054 585820776 /nfs/dbraw/zinc/82/07/76/585820776.db2.gz MKASGJQOOAHTOC-LLVKDONJSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c(C)n1 ZINC000782585054 585820777 /nfs/dbraw/zinc/82/07/77/585820777.db2.gz MKASGJQOOAHTOC-LLVKDONJSA-N 1 2 247.342 1.361 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C/C=C\c1ccccc1 ZINC000782588571 585821046 /nfs/dbraw/zinc/82/10/46/585821046.db2.gz XQEIGYYRPXTANX-OYVUYXNMSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1C/C=C\c1ccccc1 ZINC000782588571 585821047 /nfs/dbraw/zinc/82/10/47/585821047.db2.gz XQEIGYYRPXTANX-OYVUYXNMSA-N 1 2 244.338 1.862 20 0 BDADLO CC1(C(=O)OCc2cccc3[nH+]ccn32)COC1 ZINC000782620641 585822980 /nfs/dbraw/zinc/82/29/80/585822980.db2.gz MSOUJYMGTKZJFP-UHFFFAOYSA-N 1 2 246.266 1.414 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cs1 ZINC000782634115 585823769 /nfs/dbraw/zinc/82/37/69/585823769.db2.gz QNSCTOJHSPRGTC-JOYOIKCWSA-N 1 2 238.356 1.520 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cs1 ZINC000782634115 585823770 /nfs/dbraw/zinc/82/37/70/585823770.db2.gz QNSCTOJHSPRGTC-JOYOIKCWSA-N 1 2 238.356 1.520 20 0 BDADLO CCc1cc(C(=O)OCCCn2cc[nH+]c2)n[nH]1 ZINC000782726251 585824280 /nfs/dbraw/zinc/82/42/80/585824280.db2.gz HWBPQJUAYDBAJL-UHFFFAOYSA-N 1 2 248.286 1.416 20 0 BDADLO Cc1c[nH]cc1C(=O)OCCCn1cc[nH+]c1 ZINC000783123535 585828283 /nfs/dbraw/zinc/82/82/83/585828283.db2.gz LIPSTECDZDJGRY-UHFFFAOYSA-N 1 2 233.271 1.767 20 0 BDADLO C[C@H]1CC[C@H]1Nc1ccc(N(C)CCO)c[nH+]1 ZINC000783273842 585832838 /nfs/dbraw/zinc/83/28/38/585832838.db2.gz BKIFEEOOPQVZPP-CMPLNLGQSA-N 1 2 235.331 1.721 20 0 BDADLO CC(=O)NOCc1c[nH+]cn1Cc1ccccc1 ZINC000783554851 585836588 /nfs/dbraw/zinc/83/65/88/585836588.db2.gz KMDHEWPTZOFPSL-UHFFFAOYSA-N 1 2 245.282 1.499 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCC1CC1 ZINC000783553313 585836734 /nfs/dbraw/zinc/83/67/34/585836734.db2.gz LJCJDWYRQXJQGV-UHFFFAOYSA-N 1 2 200.282 1.710 20 0 BDADLO CCC[C@@H](O)CC(=O)OCCCn1cc[nH+]c1 ZINC000783705533 585840672 /nfs/dbraw/zinc/84/06/72/585840672.db2.gz ASAWNYYAFQYJGA-LLVKDONJSA-N 1 2 240.303 1.368 20 0 BDADLO C/C=C(\C)C(=O)OCCCn1cc[nH+]c1 ZINC000784038582 585847714 /nfs/dbraw/zinc/84/77/14/585847714.db2.gz LBUQMVPLBIKASC-XCVCLJGOSA-N 1 2 208.261 1.783 20 0 BDADLO Cc1ncoc1C(=O)OCCCn1cc[nH+]c1 ZINC000784042540 585847859 /nfs/dbraw/zinc/84/78/59/585847859.db2.gz ZTVFHBIPNZIDLL-UHFFFAOYSA-N 1 2 235.243 1.427 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000784065344 585848370 /nfs/dbraw/zinc/84/83/70/585848370.db2.gz IKTDOCFFDLZDMV-UHFFFAOYSA-N 1 2 244.241 1.862 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000784087525 585849141 /nfs/dbraw/zinc/84/91/41/585849141.db2.gz HWSPAPCKFCFHAF-WHXUTIOJSA-N 1 2 243.347 1.874 20 0 BDADLO COC[C@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000784099032 585849379 /nfs/dbraw/zinc/84/93/79/585849379.db2.gz OKLDXCYUFOHWOZ-LLVKDONJSA-N 1 2 240.303 1.489 20 0 BDADLO CC[C@H](SC)C(=O)OCCCn1cc[nH+]c1 ZINC000784316673 585855805 /nfs/dbraw/zinc/85/58/05/585855805.db2.gz ZWPWMNJYTPAEPS-JTQLQIEISA-N 1 2 242.344 1.958 20 0 BDADLO CC(C)[C@H](F)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000784398262 585858595 /nfs/dbraw/zinc/85/85/95/585858595.db2.gz QFHOEDGJWUIDHM-VIFPVBQESA-N 1 2 213.256 1.362 20 0 BDADLO Nc1cccnc1C(=O)OCCCn1cc[nH+]c1 ZINC000784403024 585858925 /nfs/dbraw/zinc/85/89/25/585858925.db2.gz QQRZZLATYCNOFW-UHFFFAOYSA-N 1 2 246.270 1.107 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCc1c[nH+]cn1C ZINC000784526731 585862482 /nfs/dbraw/zinc/86/24/82/585862482.db2.gz YBWVOGYOKCXRJA-SECBINFHSA-N 1 2 214.240 1.457 20 0 BDADLO CC[C@H](NC(=O)[C@@H](F)C(C)C)c1[nH]cc[nH+]1 ZINC000784788857 585866165 /nfs/dbraw/zinc/86/61/65/585866165.db2.gz AJDJRYVQEKQACH-IUCAKERBSA-N 1 2 227.283 1.971 20 0 BDADLO Cc1ccn(C)c1C(=O)OCCCn1cc[nH+]c1 ZINC000784873407 585867298 /nfs/dbraw/zinc/86/72/98/585867298.db2.gz ATTDBIFMECENJA-UHFFFAOYSA-N 1 2 247.298 1.777 20 0 BDADLO CCC/C=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784919070 585868418 /nfs/dbraw/zinc/86/84/18/585868418.db2.gz VNZPLBYNNHGYOC-FYJFLYSWSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C(\C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784922434 585868435 /nfs/dbraw/zinc/86/84/35/585868435.db2.gz SSDOKXFGXSJNKJ-JVOXIWMLSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@H](NC(=O)C1=COCC1)c1[nH]cc[nH+]1 ZINC000785420833 585873266 /nfs/dbraw/zinc/87/32/66/585873266.db2.gz FFHBUTPTHBVETA-VIFPVBQESA-N 1 2 221.260 1.281 20 0 BDADLO CC[C@@]1(C)C[N@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000785494273 585874686 /nfs/dbraw/zinc/87/46/86/585874686.db2.gz DUBRQIZMSDUNGX-VKUYVZBCSA-N 1 2 241.331 1.607 20 0 BDADLO CC[C@@]1(C)C[N@@H+](C/C=C(\C)C(=O)OC)CCO1 ZINC000785494273 585874687 /nfs/dbraw/zinc/87/46/87/585874687.db2.gz DUBRQIZMSDUNGX-VKUYVZBCSA-N 1 2 241.331 1.607 20 0 BDADLO O=C(Cc1ccon1)OCCCn1cc[nH+]c1 ZINC000786001412 585885287 /nfs/dbraw/zinc/88/52/87/585885287.db2.gz AJXVBURGCGNZDC-UHFFFAOYSA-N 1 2 235.243 1.047 20 0 BDADLO COC/C=C/C(=O)OCCCn1cc[nH+]c1 ZINC000786592937 585895505 /nfs/dbraw/zinc/89/55/05/585895505.db2.gz CSEGJCHNHJEOEP-DUXPYHPUSA-N 1 2 224.260 1.019 20 0 BDADLO CCc1cc(N2CC[C@H](C(=O)OC)[C@@H]2C)nc[nH+]1 ZINC000786815318 585897470 /nfs/dbraw/zinc/89/74/70/585897470.db2.gz RILQGSWSMODLRV-ONGXEEELSA-N 1 2 249.314 1.427 20 0 BDADLO Cc1nc(N2CC(O)(C(C)C)C2)c(C)c(C)[nH+]1 ZINC000786803087 585897665 /nfs/dbraw/zinc/89/76/65/585897665.db2.gz FPQBQIJCBDFRTL-UHFFFAOYSA-N 1 2 235.331 1.609 20 0 BDADLO Nc1cc(COC(=O)C2CCOCC2)cc[nH+]1 ZINC000787585385 585912309 /nfs/dbraw/zinc/91/23/09/585912309.db2.gz MUKZISFXLBQZQJ-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](C/C=C\Cl)CC2)[nH]1 ZINC000787669941 585913888 /nfs/dbraw/zinc/91/38/88/585913888.db2.gz KJMQKTYJKYIIAO-RJRFIUFISA-N 1 2 242.710 1.442 20 0 BDADLO CC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000788194846 585919230 /nfs/dbraw/zinc/91/92/30/585919230.db2.gz FGZICPLXRNPBEX-UHFFFAOYSA-N 1 2 215.256 1.426 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnc(F)c1 ZINC000859269896 589026688 /nfs/dbraw/zinc/02/66/88/589026688.db2.gz UYGMBWUXLCNUON-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnc(F)c1 ZINC000859269896 589026690 /nfs/dbraw/zinc/02/66/90/589026690.db2.gz UYGMBWUXLCNUON-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO C/C=C(/CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000788809631 585930524 /nfs/dbraw/zinc/93/05/24/585930524.db2.gz YUOXTLZEOWLWRZ-YHYXMXQVSA-N 1 2 221.304 1.735 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000788963915 585932544 /nfs/dbraw/zinc/93/25/44/585932544.db2.gz AQUKSIJBWXNLRG-LFJXOHPOSA-N 1 2 233.315 1.670 20 0 BDADLO COCCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789605308 585944879 /nfs/dbraw/zinc/94/48/79/585944879.db2.gz FRPNOBFTMQMRTF-SECBINFHSA-N 1 2 216.281 1.090 20 0 BDADLO CC(C)CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789607699 585946100 /nfs/dbraw/zinc/94/61/00/585946100.db2.gz CLOIXRAMMWWUDR-SECBINFHSA-N 1 2 200.282 1.710 20 0 BDADLO NC(=[NH+]OC[C@@H]1CCCOC1)[C@@H]1CCCO1 ZINC000789614239 585946905 /nfs/dbraw/zinc/94/69/05/585946905.db2.gz YWJVITWRBNYTGB-ZJUUUORDSA-N 1 2 228.292 1.090 20 0 BDADLO CC(C)=CC(=O)OCCc1c[nH+]cn1C ZINC000789771678 585949263 /nfs/dbraw/zinc/94/92/63/585949263.db2.gz IQCZXXVZUGSSRY-UHFFFAOYSA-N 1 2 208.261 1.472 20 0 BDADLO Cc1ncccc1C(=O)OCCc1c[nH+]cn1C ZINC000789771320 585949365 /nfs/dbraw/zinc/94/93/65/585949365.db2.gz HEZAFACUIAVCGC-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO C[C@@H](O)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000790086875 585957749 /nfs/dbraw/zinc/95/77/49/585957749.db2.gz MVQXGLZFNFGGNT-SNVBAGLBSA-N 1 2 247.298 1.225 20 0 BDADLO Cc1[nH]ncc1C(=O)OCCCc1[nH+]ccn1C ZINC000805923239 585964414 /nfs/dbraw/zinc/96/44/14/585964414.db2.gz DHTKLUYDLGZZCB-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO CCC1=C(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCO1 ZINC000790603384 585966862 /nfs/dbraw/zinc/96/68/62/585966862.db2.gz COGWBIPUIBJJRB-UHFFFAOYSA-N 1 2 249.314 1.843 20 0 BDADLO COC/C=C/C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000791384568 585979791 /nfs/dbraw/zinc/97/97/91/585979791.db2.gz JLPWFGNXWMWONB-NSCUHMNNSA-N 1 2 245.282 1.153 20 0 BDADLO CO[C@]1(C)CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000791559723 585984227 /nfs/dbraw/zinc/98/42/27/585984227.db2.gz YSHKPEXZKHPFOM-CYBMUJFWSA-N 1 2 243.347 1.687 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000791559723 585984228 /nfs/dbraw/zinc/98/42/28/585984228.db2.gz YSHKPEXZKHPFOM-CYBMUJFWSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1[C@H]1CCOC1=O ZINC000791579529 585984762 /nfs/dbraw/zinc/98/47/62/585984762.db2.gz QVQCAITVHUNQDJ-PRJMDXOYSA-N 1 2 237.221 1.575 20 0 BDADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1[C@H]1CCOC1=O ZINC000791579529 585984763 /nfs/dbraw/zinc/98/47/63/585984763.db2.gz QVQCAITVHUNQDJ-PRJMDXOYSA-N 1 2 237.221 1.575 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000792289727 585999173 /nfs/dbraw/zinc/99/91/73/585999173.db2.gz SXOHYWKOEDOUAR-MNOVXSKESA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]1C[NH+](CCC(=O)C2CC2)C[C@H](C)S1=O ZINC000792395598 586000177 /nfs/dbraw/zinc/00/01/77/586000177.db2.gz RWVCKKZVWCBSPJ-UWVGGRQHSA-N 1 2 243.372 1.197 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@]1(C)CCCO1 ZINC000793254682 586015321 /nfs/dbraw/zinc/01/53/21/586015321.db2.gz DQPHWCCDAIIALL-GFCCVEGCSA-N 1 2 238.287 1.075 20 0 BDADLO COCCCCC(=O)OCCc1c[nH+]cn1C ZINC000793255353 586015452 /nfs/dbraw/zinc/01/54/52/586015452.db2.gz JLJOYGPRZWYWSX-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CCC(C)(F)F ZINC000793258648 586015463 /nfs/dbraw/zinc/01/54/63/586015463.db2.gz NNYOALIKYLYAFS-UHFFFAOYSA-N 1 2 246.257 1.941 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc[nH]1 ZINC000793746090 586025699 /nfs/dbraw/zinc/02/56/99/586025699.db2.gz JQSDLOKKCPNVSA-SNVBAGLBSA-N 1 2 246.314 1.558 20 0 BDADLO CSCCONC(=O)CCCn1cc[nH+]c1 ZINC000794179617 586034133 /nfs/dbraw/zinc/03/41/33/586034133.db2.gz DBVULNGYWUGZRN-UHFFFAOYSA-N 1 2 243.332 1.074 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000794458118 586040084 /nfs/dbraw/zinc/04/00/84/586040084.db2.gz UMWCJTISXWYFGX-RKDXNWHRSA-N 1 2 215.256 1.473 20 0 BDADLO NC(=[NH+]O[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000794519707 586041683 /nfs/dbraw/zinc/04/16/83/586041683.db2.gz RCWMECUPWDSXAA-SNVBAGLBSA-N 1 2 240.690 1.975 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000794949780 586056996 /nfs/dbraw/zinc/05/69/96/586056996.db2.gz SMDZVGPGIIFGEB-JQWIXIFHSA-N 1 2 221.304 1.119 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000794949780 586056997 /nfs/dbraw/zinc/05/69/97/586056997.db2.gz SMDZVGPGIIFGEB-JQWIXIFHSA-N 1 2 221.304 1.119 20 0 BDADLO C[N@H+](Cc1ccccn1)[C@H]1CC(C)(C)OC1=O ZINC000795661367 586090363 /nfs/dbraw/zinc/09/03/63/586090363.db2.gz PVJXCFGDELGFOA-NSHDSACASA-N 1 2 234.299 1.608 20 0 BDADLO C[N@@H+](Cc1ccccn1)[C@H]1CC(C)(C)OC1=O ZINC000795661367 586090364 /nfs/dbraw/zinc/09/03/64/586090364.db2.gz PVJXCFGDELGFOA-NSHDSACASA-N 1 2 234.299 1.608 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000795666015 586090788 /nfs/dbraw/zinc/09/07/88/586090788.db2.gz GLTLSAULKNHHKN-LBPRGKRZSA-N 1 2 248.330 1.517 20 0 BDADLO O=C1CCCN1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000795666015 586090789 /nfs/dbraw/zinc/09/07/89/586090789.db2.gz GLTLSAULKNHHKN-LBPRGKRZSA-N 1 2 248.330 1.517 20 0 BDADLO CC(C)(C(=O)OCCn1cc[nH+]c1)C(F)F ZINC000795855492 586093475 /nfs/dbraw/zinc/09/34/75/586093475.db2.gz JZEHRKJMVPZWIY-UHFFFAOYSA-N 1 2 232.230 1.718 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000796204207 586098640 /nfs/dbraw/zinc/09/86/40/586098640.db2.gz RROMLHVDHKWFLD-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000796204207 586098641 /nfs/dbraw/zinc/09/86/41/586098641.db2.gz RROMLHVDHKWFLD-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC1(C[NH2+]c2ccc(OCCO)cc2)COC1 ZINC000796333675 586101056 /nfs/dbraw/zinc/10/10/56/586101056.db2.gz SBTKLLHWOWMQFN-UHFFFAOYSA-N 1 2 237.299 1.506 20 0 BDADLO Cl/C=C\C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796340334 586101439 /nfs/dbraw/zinc/10/14/39/586101439.db2.gz KNAVHYULWUIJHP-RQVXFDJMSA-N 1 2 231.723 1.619 20 0 BDADLO Cl/C=C\C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796340334 586101440 /nfs/dbraw/zinc/10/14/40/586101440.db2.gz KNAVHYULWUIJHP-RQVXFDJMSA-N 1 2 231.723 1.619 20 0 BDADLO CCC[C@@]1([NH2+]CC(=O)OCC(C)C)CCOC1 ZINC000796443988 586103442 /nfs/dbraw/zinc/10/34/42/586103442.db2.gz YRKNELFZZFVOSN-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000796452037 586103662 /nfs/dbraw/zinc/10/36/62/586103662.db2.gz SKCOINVAMAJCHY-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000796452037 586103663 /nfs/dbraw/zinc/10/36/63/586103663.db2.gz SKCOINVAMAJCHY-CYBMUJFWSA-N 1 2 249.289 1.714 20 0 BDADLO CC(C)c1cnc(C[N@H+](C)C2(CO)CC2)o1 ZINC000796501695 586105381 /nfs/dbraw/zinc/10/53/81/586105381.db2.gz OZXQKFXFYGFUFR-UHFFFAOYSA-N 1 2 224.304 1.755 20 0 BDADLO CC(C)c1cnc(C[N@@H+](C)C2(CO)CC2)o1 ZINC000796501695 586105382 /nfs/dbraw/zinc/10/53/82/586105382.db2.gz OZXQKFXFYGFUFR-UHFFFAOYSA-N 1 2 224.304 1.755 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)C1(CO)CC1 ZINC000796502557 586105614 /nfs/dbraw/zinc/10/56/14/586105614.db2.gz USTIDZGOXBOWCN-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)C1(CO)CC1 ZINC000796502557 586105615 /nfs/dbraw/zinc/10/56/15/586105615.db2.gz USTIDZGOXBOWCN-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)CN(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000797454408 586127621 /nfs/dbraw/zinc/12/76/21/586127621.db2.gz XIKCQZYKTXNXOG-UHFFFAOYSA-N 1 2 236.319 1.448 20 0 BDADLO O=C(C[C@H]1CCC(F)(F)C1)NCc1c[nH+]c[nH]1 ZINC000797881170 586133488 /nfs/dbraw/zinc/13/34/88/586133488.db2.gz OQZNQPCIRAIPEW-MRVPVSSYSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(C[C@H]1CCC(F)(F)C1)NCc1c[nH]c[nH+]1 ZINC000797881170 586133489 /nfs/dbraw/zinc/13/34/89/586133489.db2.gz OQZNQPCIRAIPEW-MRVPVSSYSA-N 1 2 243.257 1.851 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC[S@](C)=O ZINC000798194254 586139418 /nfs/dbraw/zinc/13/94/18/586139418.db2.gz YMQISYLNEHROFB-BMIGLBTASA-N 1 2 226.345 1.243 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC[S@](C)=O ZINC000798194254 586139419 /nfs/dbraw/zinc/13/94/19/586139419.db2.gz YMQISYLNEHROFB-BMIGLBTASA-N 1 2 226.345 1.243 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1cn(C)cn1 ZINC000798227701 586141245 /nfs/dbraw/zinc/14/12/45/586141245.db2.gz PVBNNTINRNSUNW-UHFFFAOYSA-N 1 2 245.330 1.171 20 0 BDADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1CC1 ZINC000798623781 586146462 /nfs/dbraw/zinc/14/64/62/586146462.db2.gz UYZYJRYFBPFCSP-MWLCHTKSSA-N 1 2 239.315 1.382 20 0 BDADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)C1CC1 ZINC000798623781 586146463 /nfs/dbraw/zinc/14/64/63/586146463.db2.gz UYZYJRYFBPFCSP-MWLCHTKSSA-N 1 2 239.315 1.382 20 0 BDADLO CON(C)C(=O)CC[N@H+](CC(F)F)C(C)C ZINC000799126474 586160552 /nfs/dbraw/zinc/16/05/52/586160552.db2.gz CZHZPHHAQLTZQM-UHFFFAOYSA-N 1 2 238.278 1.372 20 0 BDADLO CON(C)C(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000799126474 586160553 /nfs/dbraw/zinc/16/05/53/586160553.db2.gz CZHZPHHAQLTZQM-UHFFFAOYSA-N 1 2 238.278 1.372 20 0 BDADLO CC[C@H]1C[N@H+](Cn2ccsc2=O)CCCO1 ZINC000799161807 586162837 /nfs/dbraw/zinc/16/28/37/586162837.db2.gz DRFONNVFDLUPKT-JTQLQIEISA-N 1 2 242.344 1.368 20 0 BDADLO CC[C@H]1C[N@@H+](Cn2ccsc2=O)CCCO1 ZINC000799161807 586162838 /nfs/dbraw/zinc/16/28/38/586162838.db2.gz DRFONNVFDLUPKT-JTQLQIEISA-N 1 2 242.344 1.368 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@@H+]1CCF ZINC000799183261 586165585 /nfs/dbraw/zinc/16/55/85/586165585.db2.gz HTIHPKSCRJDTNG-LLVKDONJSA-N 1 2 211.284 1.917 20 0 BDADLO Cn1nccc1[C@H]1CCCC[N@H+]1CCF ZINC000799183261 586165587 /nfs/dbraw/zinc/16/55/87/586165587.db2.gz HTIHPKSCRJDTNG-LLVKDONJSA-N 1 2 211.284 1.917 20 0 BDADLO Cc1c[nH]nc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000799716268 586193864 /nfs/dbraw/zinc/19/38/64/586193864.db2.gz OBPFLBLMTOMGCH-VIFPVBQESA-N 1 2 245.286 1.419 20 0 BDADLO CC(C)(C)OC(=O)N1CC(Cn2cc[nH+]c2)C1 ZINC000800353071 586213507 /nfs/dbraw/zinc/21/35/07/586213507.db2.gz PMHOYYVQJPHMBT-UHFFFAOYSA-N 1 2 237.303 1.750 20 0 BDADLO C[C@@H]1C[NH+]([C@H]2CCOC2=O)C[C@@H](C)C1(F)F ZINC000859411652 589035626 /nfs/dbraw/zinc/03/56/26/589035626.db2.gz MCIJUNSGLYCMPF-HLTSFMKQSA-N 1 2 233.258 1.525 20 0 BDADLO FC(F)[C@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000801563639 586263303 /nfs/dbraw/zinc/26/33/03/586263303.db2.gz GBHQBNPRHNYKHD-LLVKDONJSA-N 1 2 242.269 1.590 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000801563639 586263304 /nfs/dbraw/zinc/26/33/04/586263304.db2.gz GBHQBNPRHNYKHD-LLVKDONJSA-N 1 2 242.269 1.590 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478236 589039829 /nfs/dbraw/zinc/03/98/29/589039829.db2.gz CPNOYPFLYWPTPC-LLVKDONJSA-N 1 2 219.240 1.023 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478236 589039831 /nfs/dbraw/zinc/03/98/31/589039831.db2.gz CPNOYPFLYWPTPC-LLVKDONJSA-N 1 2 219.240 1.023 20 0 BDADLO C[S@@](=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478113 589040221 /nfs/dbraw/zinc/04/02/21/589040221.db2.gz RHCOIZZOIFCPOR-OAHLLOKOSA-N 1 2 225.313 1.086 20 0 BDADLO C[S@@](=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478113 589040223 /nfs/dbraw/zinc/04/02/23/589040223.db2.gz RHCOIZZOIFCPOR-OAHLLOKOSA-N 1 2 225.313 1.086 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@@H](C)[C@H](C)C2=O)CCO1 ZINC000839956520 586292520 /nfs/dbraw/zinc/29/25/20/586292520.db2.gz ABEVYQYGEVWOEL-GRYCIOLGSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@@H](C)[C@H](C)C2=O)CCO1 ZINC000839956520 586292522 /nfs/dbraw/zinc/29/25/22/586292522.db2.gz ABEVYQYGEVWOEL-GRYCIOLGSA-N 1 2 240.347 1.169 20 0 BDADLO CCC1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CC1 ZINC000802233931 586297892 /nfs/dbraw/zinc/29/78/92/586297892.db2.gz XBJXCNMARYJOMY-JTQLQIEISA-N 1 2 229.295 1.764 20 0 BDADLO CCC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802233931 586297894 /nfs/dbraw/zinc/29/78/94/586297894.db2.gz XBJXCNMARYJOMY-JTQLQIEISA-N 1 2 229.295 1.764 20 0 BDADLO CSC[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239963 586298439 /nfs/dbraw/zinc/29/84/39/586298439.db2.gz SPYVMLKSRICHLA-NXEZZACHSA-N 1 2 249.351 1.573 20 0 BDADLO CSC[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239963 586298443 /nfs/dbraw/zinc/29/84/43/586298443.db2.gz SPYVMLKSRICHLA-NXEZZACHSA-N 1 2 249.351 1.573 20 0 BDADLO C[C@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCOC1 ZINC000802238661 586299122 /nfs/dbraw/zinc/29/91/22/586299122.db2.gz JRUZPDAVZIBNEU-PWSUYJOCSA-N 1 2 245.294 1.000 20 0 BDADLO C[C@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC000802238661 586299124 /nfs/dbraw/zinc/29/91/24/586299124.db2.gz JRUZPDAVZIBNEU-PWSUYJOCSA-N 1 2 245.294 1.000 20 0 BDADLO C[C@@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCCO1 ZINC000802243487 586299309 /nfs/dbraw/zinc/29/93/09/586299309.db2.gz GOEDPFTUXLAIJX-PWSUYJOCSA-N 1 2 245.294 1.143 20 0 BDADLO C[C@@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCCO1 ZINC000802243487 586299310 /nfs/dbraw/zinc/29/93/10/586299310.db2.gz GOEDPFTUXLAIJX-PWSUYJOCSA-N 1 2 245.294 1.143 20 0 BDADLO C[C@H]1CN(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)C(=O)[C@@H]1C ZINC000839960052 586300472 /nfs/dbraw/zinc/30/04/72/586300472.db2.gz NLLZZJFCFJKALE-NNYUYHANSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CN(C[N@H+]2C[C@@H](C)OC[C@@H]2C)C(=O)[C@@H]1C ZINC000839960052 586300475 /nfs/dbraw/zinc/30/04/75/586300475.db2.gz NLLZZJFCFJKALE-NNYUYHANSA-N 1 2 240.347 1.168 20 0 BDADLO CCC/C=C/C(=O)OC1C[NH+](CCOCC)C1 ZINC000802772162 586313655 /nfs/dbraw/zinc/31/36/55/586313655.db2.gz ZZJSVUCZASQCOQ-VOTSOKGWSA-N 1 2 241.331 1.607 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1CC1(C)C ZINC000802785748 586314029 /nfs/dbraw/zinc/31/40/29/586314029.db2.gz FBTCHRXVQJTOCY-SNVBAGLBSA-N 1 2 236.315 1.942 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)c1cccn1C ZINC000802786899 586314271 /nfs/dbraw/zinc/31/42/71/586314271.db2.gz SLNQHTISVLCQCW-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO CC(C)[C@@H](C(=O)O[C@H]1CCCCC1=O)[NH+](C)C ZINC000803696906 586369472 /nfs/dbraw/zinc/36/94/72/586369472.db2.gz GHAIGVTVBCPQSQ-RYUDHWBXSA-N 1 2 241.331 1.628 20 0 BDADLO C[C@H]1OCC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@@H]1C ZINC000840026660 586384851 /nfs/dbraw/zinc/38/48/51/586384851.db2.gz HJPZCOWJIIEHJT-KKOKHZNYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@@H]1C ZINC000840026660 586384854 /nfs/dbraw/zinc/38/48/54/586384854.db2.gz HJPZCOWJIIEHJT-KKOKHZNYSA-N 1 2 238.331 1.064 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2C[C@@H]21 ZINC000804296377 586388479 /nfs/dbraw/zinc/38/84/79/586388479.db2.gz VTXGKTDYLRSMNV-MNOVXSKESA-N 1 2 219.288 1.284 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000804337498 586392280 /nfs/dbraw/zinc/39/22/80/586392280.db2.gz YNJOMOWOZRJJBS-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)C1=O ZINC000840042374 586395050 /nfs/dbraw/zinc/39/50/50/586395050.db2.gz OQJYACJUBOGWCU-MXWKQRLJSA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)C1=O ZINC000840042374 586395053 /nfs/dbraw/zinc/39/50/53/586395053.db2.gz OQJYACJUBOGWCU-MXWKQRLJSA-N 1 2 228.311 1.492 20 0 BDADLO CSc1cnc(N2CC(n3cc[nH+]c3)C2)nc1 ZINC000804545619 586399237 /nfs/dbraw/zinc/39/92/37/586399237.db2.gz BHORCFPZBBRBBE-UHFFFAOYSA-N 1 2 247.327 1.456 20 0 BDADLO CC[C@@]1(C)C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840053446 586402705 /nfs/dbraw/zinc/40/27/05/586402705.db2.gz NYHWHCVZZOYJBX-YPMHNXCESA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840053446 586402707 /nfs/dbraw/zinc/40/27/07/586402707.db2.gz NYHWHCVZZOYJBX-YPMHNXCESA-N 1 2 240.347 1.313 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCOC1CCC1 ZINC000806954364 586421118 /nfs/dbraw/zinc/42/11/18/586421118.db2.gz JYGIMQNNQZLPDH-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO C[N@H+](C/C=C\Cl)CC(=O)NCc1ccco1 ZINC000807264073 586431291 /nfs/dbraw/zinc/43/12/91/586431291.db2.gz ZPCQHJRJBYPDFP-HYXAFXHYSA-N 1 2 242.706 1.580 20 0 BDADLO C[N@@H+](C/C=C\Cl)CC(=O)NCc1ccco1 ZINC000807264073 586431292 /nfs/dbraw/zinc/43/12/92/586431292.db2.gz ZPCQHJRJBYPDFP-HYXAFXHYSA-N 1 2 242.706 1.580 20 0 BDADLO CC[NH2+]Cc1noc(/C=C\C2CCOCC2)n1 ZINC000843145244 586444550 /nfs/dbraw/zinc/44/45/50/586444550.db2.gz ZANHMXBAQSOOLC-ARJAWSKDSA-N 1 2 237.303 1.619 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000840101593 586446239 /nfs/dbraw/zinc/44/62/39/586446239.db2.gz USRUAYXHUIXWNK-PWSUYJOCSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000840101593 586446241 /nfs/dbraw/zinc/44/62/41/586446241.db2.gz USRUAYXHUIXWNK-PWSUYJOCSA-N 1 2 228.311 1.636 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CN1CC(C)(C)CC1=O ZINC000808161429 586465253 /nfs/dbraw/zinc/46/52/53/586465253.db2.gz YFNVJAZUNPXPDX-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@H]1COCC[N@H+]1CN1CC(C)(C)CC1=O ZINC000808161429 586465255 /nfs/dbraw/zinc/46/52/55/586465255.db2.gz YFNVJAZUNPXPDX-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCOC1CCC1 ZINC000808255005 586468607 /nfs/dbraw/zinc/46/86/07/586468607.db2.gz UCZVEFVGBQSHGS-UHFFFAOYSA-N 1 2 230.308 1.479 20 0 BDADLO COc1ccc(NCc2cn(C)c[nH+]2)cc1CO ZINC000808396831 586471364 /nfs/dbraw/zinc/47/13/64/586471364.db2.gz ACTKXYDNSPJICZ-UHFFFAOYSA-N 1 2 247.298 1.533 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCC(=O)C(C)C ZINC000808712496 586483963 /nfs/dbraw/zinc/48/39/63/586483963.db2.gz DYMXVVRHZONEBM-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCC(=O)C(C)C ZINC000808712496 586483964 /nfs/dbraw/zinc/48/39/64/586483964.db2.gz DYMXVVRHZONEBM-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)C ZINC000808741658 586486319 /nfs/dbraw/zinc/48/63/19/586486319.db2.gz LIZVLEBEHJSSOH-LLVKDONJSA-N 1 2 240.347 1.202 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)C ZINC000808741658 586486318 /nfs/dbraw/zinc/48/63/18/586486318.db2.gz LIZVLEBEHJSSOH-LLVKDONJSA-N 1 2 240.347 1.202 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2c1COC2=O ZINC000809200598 586501638 /nfs/dbraw/zinc/50/16/38/586501638.db2.gz DNYYYLLOVJWJCO-UHFFFAOYSA-N 1 2 243.266 1.703 20 0 BDADLO Cn1ncc(C[N@@H+]2CCCc3sccc3C2)n1 ZINC000809944679 586524843 /nfs/dbraw/zinc/52/48/43/586524843.db2.gz RTHUZIUBRNGRPF-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1ncc(C[N@H+]2CCCc3sccc3C2)n1 ZINC000809944679 586524845 /nfs/dbraw/zinc/52/48/45/586524845.db2.gz RTHUZIUBRNGRPF-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809948036 586524981 /nfs/dbraw/zinc/52/49/81/586524981.db2.gz QPQBLAGPMFATFU-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2cnn(C)n2)[C@H]1C ZINC000809948036 586524984 /nfs/dbraw/zinc/52/49/84/586524984.db2.gz QPQBLAGPMFATFU-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cnn(C)n2)[C@@H]1C ZINC000809948037 586525073 /nfs/dbraw/zinc/52/50/73/586525073.db2.gz QPQBLAGPMFATFU-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cnn(C)n2)[C@@H]1C ZINC000809948037 586525075 /nfs/dbraw/zinc/52/50/75/586525075.db2.gz QPQBLAGPMFATFU-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO Cc1noc(C)c1CC[NH2+][C@@]1(C)CCOC1=O ZINC000810095505 586533896 /nfs/dbraw/zinc/53/38/96/586533896.db2.gz NSANJWIECOCQGG-LBPRGKRZSA-N 1 2 238.287 1.129 20 0 BDADLO Cc1cc(NC(=O)NOC/C=C\Cl)cc[nH+]1 ZINC000810201035 586536883 /nfs/dbraw/zinc/53/68/83/586536883.db2.gz VEBBLVMMZBJHPC-RQOWECAXSA-N 1 2 241.678 1.618 20 0 BDADLO CC(=O)OCC1CC[NH+](CC(F)F)CC1 ZINC000810960391 586551924 /nfs/dbraw/zinc/55/19/24/586551924.db2.gz XAKBBTVQGOYXFF-UHFFFAOYSA-N 1 2 221.247 1.527 20 0 BDADLO COC1(COC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000811169231 586556115 /nfs/dbraw/zinc/55/61/15/586556115.db2.gz FNPMLACFAMQSIN-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO COC1(COC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC000811169231 586556116 /nfs/dbraw/zinc/55/61/16/586556116.db2.gz FNPMLACFAMQSIN-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(F)=C1CCCC1 ZINC000811588325 586561527 /nfs/dbraw/zinc/56/15/27/586561527.db2.gz FOWRPXUYBYCGQX-UHFFFAOYSA-N 1 2 237.278 1.834 20 0 BDADLO CCC/C(C)=C/C(=O)NCc1c[nH+]cn1C ZINC000811588358 586561817 /nfs/dbraw/zinc/56/18/17/586561817.db2.gz HJMPHNNVGNHWSF-UXBLZVDNSA-N 1 2 221.304 1.783 20 0 BDADLO COCC1(CO[NH+]=C(N)COC(C)C)CCC1 ZINC000812304094 586573231 /nfs/dbraw/zinc/57/32/31/586573231.db2.gz JCLSUGCDHGNFKS-UHFFFAOYSA-N 1 2 244.335 1.727 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOC/C=C\Cl ZINC000812400485 586575552 /nfs/dbraw/zinc/57/55/52/586575552.db2.gz MYHPDUYYTMDDNX-RQOWECAXSA-N 1 2 243.694 1.464 20 0 BDADLO O=C(NCCCCF)c1cccc2[nH+]ccn21 ZINC000812613681 586580469 /nfs/dbraw/zinc/58/04/69/586580469.db2.gz SXYDWHGDSUPLOM-UHFFFAOYSA-N 1 2 235.262 1.814 20 0 BDADLO CO[C@](C)(C(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000812660516 586581832 /nfs/dbraw/zinc/58/18/32/586581832.db2.gz RAGQXURBPJYWER-LBPRGKRZSA-N 1 2 238.287 1.241 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCc1c[nH+]cn1C ZINC000813256337 586598792 /nfs/dbraw/zinc/59/87/92/586598792.db2.gz CKUOTTKOJOMOBP-KTKRTIGZSA-N 1 2 221.304 1.783 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cn1 ZINC000814181432 586615761 /nfs/dbraw/zinc/61/57/61/586615761.db2.gz ZWLBLNLUBMDITP-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cn1 ZINC000814181432 586615762 /nfs/dbraw/zinc/61/57/62/586615762.db2.gz ZWLBLNLUBMDITP-LBPRGKRZSA-N 1 2 248.326 1.916 20 0 BDADLO Cn1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814181002 586615834 /nfs/dbraw/zinc/61/58/34/586615834.db2.gz VANGYINTPIEFRZ-LLVKDONJSA-N 1 2 236.315 1.551 20 0 BDADLO Cn1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814181002 586615835 /nfs/dbraw/zinc/61/58/35/586615835.db2.gz VANGYINTPIEFRZ-LLVKDONJSA-N 1 2 236.315 1.551 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OC1CCC1 ZINC000814265885 586620971 /nfs/dbraw/zinc/62/09/71/586620971.db2.gz ZBLHKHOOFVKIFY-UHFFFAOYSA-N 1 2 205.261 1.675 20 0 BDADLO CO[C@H]1CCC[C@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000814379827 586621785 /nfs/dbraw/zinc/62/17/85/586621785.db2.gz LIIWXIONBHFRQT-IUCAKERBSA-N 1 2 242.344 1.411 20 0 BDADLO Cc1nc(C(=O)OCCn2cc[nH+]c2)c(C)o1 ZINC000814505632 586623392 /nfs/dbraw/zinc/62/33/92/586623392.db2.gz WJQDSWLHIHOKQY-UHFFFAOYSA-N 1 2 235.243 1.345 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)(C)C)o1)[C@@H](C)CO ZINC000815184744 586672828 /nfs/dbraw/zinc/67/28/28/586672828.db2.gz IQHCUSPIUUQNQU-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@@H](C)CO ZINC000815184744 586672829 /nfs/dbraw/zinc/67/28/29/586672829.db2.gz IQHCUSPIUUQNQU-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC(F)(F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000815577353 586688268 /nfs/dbraw/zinc/68/82/68/586688268.db2.gz NZZCNPRWGXMGFN-UHFFFAOYSA-N 1 2 225.198 1.928 20 0 BDADLO C[C@@H](NC(=O)c1ccc[nH]c1=S)c1[nH]cc[nH+]1 ZINC000816719035 586759818 /nfs/dbraw/zinc/75/98/18/586759818.db2.gz MIRHYNODPCNNDA-SSDOTTSWSA-N 1 2 248.311 1.584 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816719261 586760032 /nfs/dbraw/zinc/76/00/32/586760032.db2.gz UWTVVKKBJATSFJ-SXPLAPADSA-N 1 2 207.277 1.943 20 0 BDADLO CC=C(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000816719261 586760033 /nfs/dbraw/zinc/76/00/33/586760033.db2.gz UWTVVKKBJATSFJ-SXPLAPADSA-N 1 2 207.277 1.943 20 0 BDADLO C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C[NH+](C)C ZINC000816721548 586760464 /nfs/dbraw/zinc/76/04/64/586760464.db2.gz FOACDZSICKSHDM-RQJHMYQMSA-N 1 2 244.232 1.201 20 0 BDADLO C[C@H](CNC(=O)C(F)C(F)(F)F)C[NH+](C)C ZINC000816721548 586760466 /nfs/dbraw/zinc/76/04/66/586760466.db2.gz FOACDZSICKSHDM-RQJHMYQMSA-N 1 2 244.232 1.201 20 0 BDADLO CN(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816809185 586765552 /nfs/dbraw/zinc/76/55/52/586765552.db2.gz NUTSAFRPQUSVQR-UHFFFAOYSA-N 1 2 229.283 1.611 20 0 BDADLO Cc1nc(NC(=O)Cc2[nH]cc[nH+]2)sc1C ZINC000816833635 586766605 /nfs/dbraw/zinc/76/66/05/586766605.db2.gz OMZCVBJRADHCBD-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO Cc1cc(CNC(=O)NOC(C)C)cc(C)[nH+]1 ZINC000817171036 586784852 /nfs/dbraw/zinc/78/48/52/586784852.db2.gz PANOMJVOVAQRJD-UHFFFAOYSA-N 1 2 237.303 1.838 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1nn(C)cc1Cl ZINC000817379016 586799645 /nfs/dbraw/zinc/79/96/45/586799645.db2.gz SBGKFTOMYXDLAJ-ZCFIWIBFSA-N 1 2 246.698 1.107 20 0 BDADLO COC1CC(C(=O)OCCCn2cc[nH+]c2)C1 ZINC000859847018 589066485 /nfs/dbraw/zinc/06/64/85/589066485.db2.gz QFGFIPJTDBBYAS-UHFFFAOYSA-N 1 2 238.287 1.241 20 0 BDADLO Cc1cc(CN2C(=O)[C@H](C)NC2=S)cc(C)[nH+]1 ZINC000817708073 586818369 /nfs/dbraw/zinc/81/83/69/586818369.db2.gz RWHVXZITCRUVRE-VIFPVBQESA-N 1 2 249.339 1.304 20 0 BDADLO Cc1cc(CN2C(=O)[C@@H](C)NC2=S)cc(C)[nH+]1 ZINC000817708072 586818851 /nfs/dbraw/zinc/81/88/51/586818851.db2.gz RWHVXZITCRUVRE-SECBINFHSA-N 1 2 249.339 1.304 20 0 BDADLO CCc1cc(NCc2c[nH+]cn2CC)nn1C ZINC000817710367 586818934 /nfs/dbraw/zinc/81/89/34/586818934.db2.gz MFLRVTDVLDGUDP-UHFFFAOYSA-N 1 2 233.319 1.811 20 0 BDADLO C[S@@](=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000859961839 589073586 /nfs/dbraw/zinc/07/35/86/589073586.db2.gz VRRWVOSUEIWIOB-MRXNPFEDSA-N 1 2 249.376 1.075 20 0 BDADLO C[S@](=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000859961838 589073939 /nfs/dbraw/zinc/07/39/39/589073939.db2.gz VRRWVOSUEIWIOB-INIZCTEOSA-N 1 2 249.376 1.075 20 0 BDADLO CC[C@H]1C[N@H+](C)CCN1C(=O)C(C)(F)F ZINC000818972499 586918824 /nfs/dbraw/zinc/91/88/24/586918824.db2.gz WYJMIFIGZQSDPK-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(C)(F)F ZINC000818972499 586918827 /nfs/dbraw/zinc/91/88/27/586918827.db2.gz WYJMIFIGZQSDPK-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO O=C(/C=C/[C@H]1CCCO1)NCCCn1cc[nH+]c1 ZINC000818998010 586922213 /nfs/dbraw/zinc/92/22/13/586922213.db2.gz OPWHJKAMOSGYPE-ZYOFXKKJSA-N 1 2 249.314 1.125 20 0 BDADLO CCCCCC[C@H](O)C[NH2+]Cc1ncn(C)n1 ZINC000819200472 586938247 /nfs/dbraw/zinc/93/82/47/586938247.db2.gz YHJBQDKGRIQNAH-NSHDSACASA-N 1 2 240.351 1.236 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819332427 586953506 /nfs/dbraw/zinc/95/35/06/586953506.db2.gz RSIZBOZJXWBIOL-VIFPVBQESA-N 1 2 234.221 1.499 20 0 BDADLO O=C(COCC(F)F)OCCCn1cc[nH+]c1 ZINC000860046339 589077111 /nfs/dbraw/zinc/07/71/11/589077111.db2.gz XWUUYJJEZUZTAR-UHFFFAOYSA-N 1 2 248.229 1.098 20 0 BDADLO Cc1cc([NH+](C)C)ccc1NC[C@H](C)O ZINC000819408276 586961920 /nfs/dbraw/zinc/96/19/20/586961920.db2.gz CYWFORZKUXNNIV-JTQLQIEISA-N 1 2 208.305 1.854 20 0 BDADLO O=C(/C=C\[C@@H]1CCCO1)N[C@H]1CCn2cc[nH+]c21 ZINC000819544090 586976244 /nfs/dbraw/zinc/97/62/44/586976244.db2.gz JKLBWZGLBHPGSJ-WZQADMAKSA-N 1 2 247.298 1.179 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C\[C@H]1CCCO1 ZINC000819555313 586976690 /nfs/dbraw/zinc/97/66/90/586976690.db2.gz AXEFGBYUEHUJOR-ISALQUGTSA-N 1 2 249.314 1.254 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C/[C@@H]1CCCO1 ZINC000819555315 586976804 /nfs/dbraw/zinc/97/68/04/586976804.db2.gz AXEFGBYUEHUJOR-QRGHLMKCSA-N 1 2 249.314 1.254 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)C(C)(C)C)S1 ZINC000819768641 586991437 /nfs/dbraw/zinc/99/14/37/586991437.db2.gz NYFUKMLLPOJLKT-ZCFIWIBFSA-N 1 2 200.307 1.640 20 0 BDADLO COCCCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819767352 586991897 /nfs/dbraw/zinc/99/18/97/586991897.db2.gz SJNVOPCDUKJABY-MRVPVSSYSA-N 1 2 230.333 1.411 20 0 BDADLO CCC[C@@H](CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000820164215 587030182 /nfs/dbraw/zinc/03/01/82/587030182.db2.gz AFXDYYOHQHMQIK-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CCC[C@@H](CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000820164215 587030185 /nfs/dbraw/zinc/03/01/85/587030185.db2.gz AFXDYYOHQHMQIK-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO CCC1(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)COC1 ZINC000820191358 587033777 /nfs/dbraw/zinc/03/37/77/587033777.db2.gz CEPPHCDGPICIDZ-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@@H]1C[C@@H]1C ZINC000863455433 589288451 /nfs/dbraw/zinc/28/84/51/589288451.db2.gz HNNBTZJVHXNZAC-IUCAKERBSA-N 1 2 200.282 1.566 20 0 BDADLO CCN(CC(C)=O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820489294 587051425 /nfs/dbraw/zinc/05/14/25/587051425.db2.gz ARQJDHGDRJIYBT-UHFFFAOYSA-N 1 2 245.282 1.614 20 0 BDADLO C[C@@H](F)CCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820631388 587060147 /nfs/dbraw/zinc/06/01/47/587060147.db2.gz PAMUZAWSJMRFIG-CDAZIORVSA-N 1 2 225.267 1.298 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCCC(C)(F)F)c1 ZINC000820899151 587080625 /nfs/dbraw/zinc/08/06/25/587080625.db2.gz LHXVRAQXKKXXNA-ONEGZZNKSA-N 1 2 243.257 1.595 20 0 BDADLO C[C@@H]1COCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000821305915 587106399 /nfs/dbraw/zinc/10/63/99/587106399.db2.gz DCGPNTTWDMMHOW-HBNTYKKESA-N 1 2 249.314 1.008 20 0 BDADLO C[C@@H]1COCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000821305915 587106400 /nfs/dbraw/zinc/10/64/00/587106400.db2.gz DCGPNTTWDMMHOW-HBNTYKKESA-N 1 2 249.314 1.008 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H]1CCC(=O)O1)C(=O)OC ZINC000821381375 587114888 /nfs/dbraw/zinc/11/48/88/587114888.db2.gz XDRLMKBKQRVZSB-JOYOIKCWSA-N 1 2 243.303 1.013 20 0 BDADLO CO[C@H](C)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607824 587132290 /nfs/dbraw/zinc/13/22/90/587132290.db2.gz HHKMROQHXKPHCQ-SECBINFHSA-N 1 2 238.287 1.226 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C=CCC2)c(C)c[nH+]1 ZINC000822282070 587161094 /nfs/dbraw/zinc/16/10/94/587161094.db2.gz ZCHXVPNITASDAA-LLVKDONJSA-N 1 2 231.299 1.960 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000822368430 587164328 /nfs/dbraw/zinc/16/43/28/587164328.db2.gz JVDKGBGBEJOTJN-SKXBYLJPSA-N 1 2 249.314 1.117 20 0 BDADLO CC/C(C)=C/C(=O)NCCn1cc[nH+]c1 ZINC000822499990 587172344 /nfs/dbraw/zinc/17/23/44/587172344.db2.gz BZIZXSJIVMBJGH-CSKARUKUSA-N 1 2 207.277 1.356 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC000822706347 587182191 /nfs/dbraw/zinc/18/21/91/587182191.db2.gz PMFVVWKQRVXVJN-SECBINFHSA-N 1 2 234.259 1.086 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCC2(C)C)[nH+]1 ZINC000822923698 587193357 /nfs/dbraw/zinc/19/33/57/587193357.db2.gz YUVZEDCKBLSXTI-SNVBAGLBSA-N 1 2 235.331 1.819 20 0 BDADLO CCn1ccc(C(=O)NCc2c[nH+]cn2C)c1C ZINC000822997936 587197270 /nfs/dbraw/zinc/19/72/70/587197270.db2.gz QMRZQRXBAWMKJF-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO O=C1OCC[C@H]1CC[N@@H+]1Cc2cccnc2C1 ZINC000823006256 587197894 /nfs/dbraw/zinc/19/78/94/587197894.db2.gz FKFQVUROIPRARV-SNVBAGLBSA-N 1 2 232.283 1.350 20 0 BDADLO O=C1OCC[C@H]1CC[N@H+]1Cc2cccnc2C1 ZINC000823006256 587197895 /nfs/dbraw/zinc/19/78/95/587197895.db2.gz FKFQVUROIPRARV-SNVBAGLBSA-N 1 2 232.283 1.350 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)[C@@]2(C)C=CCC2)S1 ZINC000823307671 587215584 /nfs/dbraw/zinc/21/55/84/587215584.db2.gz VLICHXUSCLYEEY-KCJUWKMLSA-N 1 2 224.329 1.950 20 0 BDADLO OCCC[N@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000823447657 587222399 /nfs/dbraw/zinc/22/23/99/587222399.db2.gz LXYKBGFDYDEUMK-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO OCCC[N@@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000823447657 587222401 /nfs/dbraw/zinc/22/24/01/587222401.db2.gz LXYKBGFDYDEUMK-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823565178 587231771 /nfs/dbraw/zinc/23/17/71/587231771.db2.gz NQDVQGGOVYPILJ-IUCAKERBSA-N 1 2 209.293 1.503 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C12CC(C1)C2 ZINC000860270278 589091978 /nfs/dbraw/zinc/09/19/78/589091978.db2.gz DVCLOGAWQYASQG-UHFFFAOYSA-N 1 2 206.245 1.226 20 0 BDADLO CCON(C(=O)Cc1[nH]cc(CC)[nH+]1)C(C)C ZINC000824042156 587251560 /nfs/dbraw/zinc/25/15/60/587251560.db2.gz ZBNVUJCWSJWTDJ-UHFFFAOYSA-N 1 2 239.319 1.703 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ncc1F ZINC000824272147 587263939 /nfs/dbraw/zinc/26/39/39/587263939.db2.gz SJMXRZPYTGXBEZ-IONNQARKSA-N 1 2 228.242 1.315 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ncc1F ZINC000824272147 587263941 /nfs/dbraw/zinc/26/39/41/587263941.db2.gz SJMXRZPYTGXBEZ-IONNQARKSA-N 1 2 228.242 1.315 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)[C@@H]1CCCOC1 ZINC000824370313 587268162 /nfs/dbraw/zinc/26/81/62/587268162.db2.gz DWHBTWCZOKJDLJ-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)[C@@H]1CCCOC1 ZINC000824370313 587268163 /nfs/dbraw/zinc/26/81/63/587268163.db2.gz DWHBTWCZOKJDLJ-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CCCN(CC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000824610338 587279311 /nfs/dbraw/zinc/27/93/11/587279311.db2.gz LNTDJGBGDMJAOR-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO Cn1c[nH+]cc1CCn1c(Cl)cccc1=O ZINC000825101364 587304665 /nfs/dbraw/zinc/30/46/65/587304665.db2.gz GHGXBZAMSXDEIQ-UHFFFAOYSA-N 1 2 237.690 1.478 20 0 BDADLO COc1cccnc1C[NH2+]Cc1ccoc1 ZINC000825249376 587310974 /nfs/dbraw/zinc/31/09/74/587310974.db2.gz FIJDNSYKDYMYLP-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO CC[C@@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000825375736 587317576 /nfs/dbraw/zinc/31/75/76/587317576.db2.gz IZDWULXHARFLNA-ZHRWSRJISA-N 1 2 233.315 1.738 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000825409102 587318942 /nfs/dbraw/zinc/31/89/42/587318942.db2.gz GIPQITRATOHQKC-NXEZZACHSA-N 1 2 245.282 1.616 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000825512619 587322467 /nfs/dbraw/zinc/32/24/67/587322467.db2.gz HMVNRIMRHINEBG-SCVCMEIPSA-N 1 2 249.314 1.259 20 0 BDADLO CC(C)[C@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000825673096 587330764 /nfs/dbraw/zinc/33/07/64/587330764.db2.gz OZHGMOCZICQZQH-UZYOAWRESA-N 1 2 247.342 1.984 20 0 BDADLO CC(C)[C@@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000825673093 587330894 /nfs/dbraw/zinc/33/08/94/587330894.db2.gz OZHGMOCZICQZQH-LMVHVUTASA-N 1 2 247.342 1.984 20 0 BDADLO c1[nH+]c2n(c1CN1CC3(CC3)C1)CCC2 ZINC000826029686 587348819 /nfs/dbraw/zinc/34/88/19/587348819.db2.gz IXZNUSGMEMVFFS-UHFFFAOYSA-N 1 2 203.289 1.425 20 0 BDADLO Cc1cc[nH+]c(N2CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826310001 587351968 /nfs/dbraw/zinc/35/19/68/587351968.db2.gz IUNZNDDDESYJGC-QMMMGPOBSA-N 1 2 230.275 1.169 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(F)CC1 ZINC000826689950 587358953 /nfs/dbraw/zinc/35/89/53/587358953.db2.gz OUQNQZMZIWEHBG-LBPRGKRZSA-N 1 2 248.301 1.791 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(F)CC1 ZINC000826689950 587358954 /nfs/dbraw/zinc/35/89/54/587358954.db2.gz OUQNQZMZIWEHBG-LBPRGKRZSA-N 1 2 248.301 1.791 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000867042596 587360396 /nfs/dbraw/zinc/36/03/96/587360396.db2.gz LYKWKQHQBQARDV-XFWSIPNHSA-N 1 2 232.283 1.440 20 0 BDADLO CCOCC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826737530 587360815 /nfs/dbraw/zinc/36/08/15/587360815.db2.gz YHUOKPLACPZOAD-ZDUSSCGKSA-N 1 2 248.326 1.326 20 0 BDADLO CCOCC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826737530 587360816 /nfs/dbraw/zinc/36/08/16/587360816.db2.gz YHUOKPLACPZOAD-ZDUSSCGKSA-N 1 2 248.326 1.326 20 0 BDADLO C[N@H+](CC[S@](C)=O)Cc1ccc(F)cc1F ZINC000827401014 587379837 /nfs/dbraw/zinc/37/98/37/587379837.db2.gz VSOZJOJPZKUMBQ-INIZCTEOSA-N 1 2 247.310 1.775 20 0 BDADLO C[N@@H+](CC[S@](C)=O)Cc1ccc(F)cc1F ZINC000827401014 587379838 /nfs/dbraw/zinc/37/98/38/587379838.db2.gz VSOZJOJPZKUMBQ-INIZCTEOSA-N 1 2 247.310 1.775 20 0 BDADLO Cc1c[nH]c(CNC(=O)CCC2(C)CC2)[nH+]1 ZINC000827582556 587389968 /nfs/dbraw/zinc/38/99/68/587389968.db2.gz OZVOQEPLMUXCIN-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO CSCC[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828230246 587426019 /nfs/dbraw/zinc/42/60/19/587426019.db2.gz JCSJFIZMNPPSEU-SECBINFHSA-N 1 2 241.360 1.552 20 0 BDADLO C[C@H]1CC(NC(=O)Cc2[nH]cc[nH+]2)C[C@H](C)C1 ZINC000828453987 587443175 /nfs/dbraw/zinc/44/31/75/587443175.db2.gz MTTPKBABIRACQH-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)N(C(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000828496553 587446089 /nfs/dbraw/zinc/44/60/89/587446089.db2.gz GMQAXOAFZFOZTP-UHFFFAOYSA-N 1 2 221.304 1.742 20 0 BDADLO C[S@@](=O)CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000828588745 587452201 /nfs/dbraw/zinc/45/22/01/587452201.db2.gz BLLLHWLNHLRMFX-MRXNPFEDSA-N 1 2 241.331 1.562 20 0 BDADLO C[S@@](=O)CC[N@H+]1CCc2cccc(F)c2C1 ZINC000828588745 587452202 /nfs/dbraw/zinc/45/22/02/587452202.db2.gz BLLLHWLNHLRMFX-MRXNPFEDSA-N 1 2 241.331 1.562 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccco1 ZINC000860442259 589101341 /nfs/dbraw/zinc/10/13/41/589101341.db2.gz VPTLIEVELDCQLQ-GHMZBOCLSA-N 1 2 246.266 1.823 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829076387 587481894 /nfs/dbraw/zinc/48/18/94/587481894.db2.gz IPQQWGCGCUVVLY-UWVGGRQHSA-N 1 2 245.326 1.830 20 0 BDADLO CO[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829091561 587482685 /nfs/dbraw/zinc/48/26/85/587482685.db2.gz VMTLQXNISQRGRA-SECBINFHSA-N 1 2 249.314 1.209 20 0 BDADLO O[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC(F)(F)C1 ZINC000829150534 587485443 /nfs/dbraw/zinc/48/54/43/587485443.db2.gz CCIYFZRIHWHNDE-QMMMGPOBSA-N 1 2 241.228 1.734 20 0 BDADLO O[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC(F)(F)C1 ZINC000829150534 587485445 /nfs/dbraw/zinc/48/54/45/587485445.db2.gz CCIYFZRIHWHNDE-QMMMGPOBSA-N 1 2 241.228 1.734 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829334727 587492965 /nfs/dbraw/zinc/49/29/65/587492965.db2.gz JTJMELGICZTVDC-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO C/C=C(\CC)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829417695 587496479 /nfs/dbraw/zinc/49/64/79/587496479.db2.gz NGSOOMQFENQLNG-ONNFQVAWSA-N 1 2 248.330 1.623 20 0 BDADLO C/C=C(\CC)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829417695 587496480 /nfs/dbraw/zinc/49/64/80/587496480.db2.gz NGSOOMQFENQLNG-ONNFQVAWSA-N 1 2 248.330 1.623 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829432810 587497095 /nfs/dbraw/zinc/49/70/95/587497095.db2.gz NFPZPWDYCJIKHF-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO CN(CCCF)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000829792076 587516666 /nfs/dbraw/zinc/51/66/66/587516666.db2.gz PPFZFWJOYRFYBR-UHFFFAOYSA-N 1 2 235.262 1.995 20 0 BDADLO C[C@@H](N(C)C(=O)Cc1[nH]cc[nH+]1)C1(C)CC1 ZINC000829835831 587521703 /nfs/dbraw/zinc/52/17/03/587521703.db2.gz JIHLHCNZABSUDR-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CCC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830009560 587532161 /nfs/dbraw/zinc/53/21/61/587532161.db2.gz CUQOSWPQJMVIQH-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000830234305 587543042 /nfs/dbraw/zinc/54/30/42/587543042.db2.gz CPMLOVKWEQMCCL-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000830234305 587543043 /nfs/dbraw/zinc/54/30/43/587543043.db2.gz CPMLOVKWEQMCCL-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CN(C)c1cc(COC(=O)C2(F)CC2)cc[nH+]1 ZINC000830758360 587568119 /nfs/dbraw/zinc/56/81/19/587568119.db2.gz AYXYRFMLZIRYKU-UHFFFAOYSA-N 1 2 238.262 1.693 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000831204756 587591898 /nfs/dbraw/zinc/59/18/98/587591898.db2.gz JNXROCQXEXDSLC-VHSXEESVSA-N 1 2 237.303 1.026 20 0 BDADLO O[C@H](C[N@@H+]1CC[C@@H](F)C1)c1ccc(F)cn1 ZINC000831228487 587593096 /nfs/dbraw/zinc/59/30/96/587593096.db2.gz LYCSKPFIJRYJGE-MWLCHTKSSA-N 1 2 228.242 1.298 20 0 BDADLO O[C@H](C[N@H+]1CC[C@@H](F)C1)c1ccc(F)cn1 ZINC000831228487 587593097 /nfs/dbraw/zinc/59/30/97/587593097.db2.gz LYCSKPFIJRYJGE-MWLCHTKSSA-N 1 2 228.242 1.298 20 0 BDADLO CCON(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000831463370 587610713 /nfs/dbraw/zinc/61/07/13/587610713.db2.gz WGBPAGIUKBVEOB-UHFFFAOYSA-N 1 2 211.265 1.142 20 0 BDADLO CC(C)(C)OC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000831740808 587629937 /nfs/dbraw/zinc/62/99/37/587629937.db2.gz XXWSDUPBCHTXAY-MRVPVSSYSA-N 1 2 223.276 1.853 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000832220408 587651397 /nfs/dbraw/zinc/65/13/97/587651397.db2.gz UMJRXACYSMVUGV-HTRCEHHLSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cnc(Cl)s1 ZINC000832220408 587651399 /nfs/dbraw/zinc/65/13/99/587651399.db2.gz UMJRXACYSMVUGV-HTRCEHHLSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCF)C1 ZINC000832285299 587653181 /nfs/dbraw/zinc/65/31/81/587653181.db2.gz TWZADTSRZMVRDM-VIFPVBQESA-N 1 2 242.260 1.772 20 0 BDADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CCF)C1 ZINC000832285299 587653182 /nfs/dbraw/zinc/65/31/82/587653182.db2.gz TWZADTSRZMVRDM-VIFPVBQESA-N 1 2 242.260 1.772 20 0 BDADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCF)C1 ZINC000832285298 587653224 /nfs/dbraw/zinc/65/32/24/587653224.db2.gz TWZADTSRZMVRDM-SECBINFHSA-N 1 2 242.260 1.772 20 0 BDADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CCF)C1 ZINC000832285298 587653226 /nfs/dbraw/zinc/65/32/26/587653226.db2.gz TWZADTSRZMVRDM-SECBINFHSA-N 1 2 242.260 1.772 20 0 BDADLO CC(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)=C1CCC1 ZINC000832354573 587655885 /nfs/dbraw/zinc/65/58/85/587655885.db2.gz DXHIGEIBPPZPGX-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@]2(C)CCCCO2)c[nH+]1 ZINC000832487472 587663288 /nfs/dbraw/zinc/66/32/88/587663288.db2.gz DNDBOBCXJKNJHM-LBPRGKRZSA-N 1 2 237.303 1.407 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833277169 587703785 /nfs/dbraw/zinc/70/37/85/587703785.db2.gz ATWOIXALZKSHDG-HBNTYKKESA-N 1 2 233.315 1.736 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000833277424 587704338 /nfs/dbraw/zinc/70/43/38/587704338.db2.gz CHKFCTYFGGEJMP-MXWKQRLJSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000833283805 587704796 /nfs/dbraw/zinc/70/47/96/587704796.db2.gz FIFPZDSSQFTORB-LLVKDONJSA-N 1 2 231.299 1.945 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC[C@@H]1C=CCC1 ZINC000834320940 587751828 /nfs/dbraw/zinc/75/18/28/587751828.db2.gz CICDAJIDDBFOPS-GFCCVEGCSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1c1cc[nH]n1 ZINC000834660263 587763223 /nfs/dbraw/zinc/76/32/23/587763223.db2.gz NXTDTHNMLFYYPZ-JTQLQIEISA-N 1 2 245.286 1.039 20 0 BDADLO COCCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000834823888 587767974 /nfs/dbraw/zinc/76/79/74/587767974.db2.gz WCYBUPOKXXXLDT-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000835021265 587778909 /nfs/dbraw/zinc/77/89/09/587778909.db2.gz UYAFPRNWODGWBF-GFCCVEGCSA-N 1 2 247.273 1.761 20 0 BDADLO CCC[C@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000835194550 587788364 /nfs/dbraw/zinc/78/83/64/587788364.db2.gz SVPLNTLJDNTMDP-JTQLQIEISA-N 1 2 226.276 1.278 20 0 BDADLO CC/C(C)=C/C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000835266928 587793489 /nfs/dbraw/zinc/79/34/89/587793489.db2.gz ODVSPTILWQVLAH-LMMOQWNQSA-N 1 2 241.331 1.607 20 0 BDADLO O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCCn1cc[nH+]c1 ZINC000835350858 587797965 /nfs/dbraw/zinc/79/79/65/587797965.db2.gz UUQBPIQLHYCXER-SDDRHHMPSA-N 1 2 234.299 1.863 20 0 BDADLO CC(=O)C(C)(C)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000835910031 587821028 /nfs/dbraw/zinc/82/10/28/587821028.db2.gz QWOZKCFZFPGDBG-LLVKDONJSA-N 1 2 243.347 1.731 20 0 BDADLO CCCCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836195919 587828621 /nfs/dbraw/zinc/82/86/21/587828621.db2.gz CBHLNIADKDNGMV-VIFPVBQESA-N 1 2 222.292 1.427 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836414695 587832919 /nfs/dbraw/zinc/83/29/19/587832919.db2.gz ADFBNIWMVMSLFE-VWYCJHECSA-N 1 2 248.330 1.816 20 0 BDADLO CC(C)ONC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000836416508 587832954 /nfs/dbraw/zinc/83/29/54/587832954.db2.gz BBVLBWCEICINJY-UHFFFAOYSA-N 1 2 234.259 1.796 20 0 BDADLO CC/C=C/CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836522702 587834539 /nfs/dbraw/zinc/83/45/39/587834539.db2.gz JXJBYBAQQZXQNO-FSIBCCDJSA-N 1 2 234.303 1.593 20 0 BDADLO C[C@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836515820 587834618 /nfs/dbraw/zinc/83/46/18/587834618.db2.gz IYICTUVWONWWKH-WDEREUQCSA-N 1 2 248.330 1.912 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867195997 587840003 /nfs/dbraw/zinc/84/00/03/587840003.db2.gz NFYQYHBDFKEBMW-NGZCFLSTSA-N 1 2 237.303 1.233 20 0 BDADLO CC[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)O ZINC000836863025 587840089 /nfs/dbraw/zinc/84/00/89/587840089.db2.gz PVVSEFUBJBJFCW-NXEZZACHSA-N 1 2 247.298 1.224 20 0 BDADLO CC[C@@H](CO)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104689 587854056 /nfs/dbraw/zinc/85/40/56/587854056.db2.gz JKOJRJHVVZWZRI-NSHDSACASA-N 1 2 236.315 1.333 20 0 BDADLO CCC(C)(C)OCC(=O)NC1=[NH+]CCS1 ZINC000837317802 587865925 /nfs/dbraw/zinc/86/59/25/587865925.db2.gz VAJWINWWDZXJJG-UHFFFAOYSA-N 1 2 230.333 1.411 20 0 BDADLO CCC[C@@](C)(O)C(=O)OCCc1c[nH+]cn1C ZINC000837587201 587884179 /nfs/dbraw/zinc/88/41/79/587884179.db2.gz IVCPQHXKLGYLTN-GFCCVEGCSA-N 1 2 240.303 1.057 20 0 BDADLO Cn1ccnc1[C@@H]1[N@H+](C[C@H](O)C2CC2)CC1(C)C ZINC000840768725 587920948 /nfs/dbraw/zinc/92/09/48/587920948.db2.gz PFAIXZQNJAKFHR-RYUDHWBXSA-N 1 2 249.358 1.574 20 0 BDADLO Cn1ccnc1[C@@H]1[N@@H+](C[C@H](O)C2CC2)CC1(C)C ZINC000840768725 587920949 /nfs/dbraw/zinc/92/09/49/587920949.db2.gz PFAIXZQNJAKFHR-RYUDHWBXSA-N 1 2 249.358 1.574 20 0 BDADLO CCCNC(=S)N[C@@H](C)c1[nH+]ccn1CC ZINC000840809481 587922571 /nfs/dbraw/zinc/92/25/71/587922571.db2.gz HEHYXOJSLKXITE-VIFPVBQESA-N 1 2 240.376 1.838 20 0 BDADLO CCCNC(=S)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000840809784 587922805 /nfs/dbraw/zinc/92/28/05/587922805.db2.gz JBBGEQQHIVHUAB-RKDXNWHRSA-N 1 2 238.360 1.763 20 0 BDADLO C[C@H]1CC[C@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840821130 587923190 /nfs/dbraw/zinc/92/31/90/587923190.db2.gz YKQPABSDVPXWIK-GWCFXTLKSA-N 1 2 222.332 1.877 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CSC[C@@H]1C ZINC000840959100 587932504 /nfs/dbraw/zinc/93/25/04/587932504.db2.gz SZERZMQVCYAVHH-INTQDDNPSA-N 1 2 243.372 1.669 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)c1ccccc1 ZINC000842013977 587988925 /nfs/dbraw/zinc/98/89/25/587988925.db2.gz YDOFLLPDAPZUKX-VIFPVBQESA-N 1 2 208.261 1.304 20 0 BDADLO CO[C@H](CO[NH+]=C(N)[C@H]1CCCO1)CC(C)C ZINC000842046851 587993125 /nfs/dbraw/zinc/99/31/25/587993125.db2.gz HENVNZJQACZHPH-WDEREUQCSA-N 1 2 244.335 1.725 20 0 BDADLO NC(COC[C@H]1CCOC1)=[NH+]OCC1CCC1 ZINC000842659988 588050796 /nfs/dbraw/zinc/05/07/96/588050796.db2.gz FNLCTJNOORVCEM-NSHDSACASA-N 1 2 242.319 1.338 20 0 BDADLO NC(COC[C@H]1CCOC1)=[NH+]OC1CCC1 ZINC000842662582 588050858 /nfs/dbraw/zinc/05/08/58/588050858.db2.gz ULTQDIMTNRVMPJ-VIFPVBQESA-N 1 2 228.292 1.090 20 0 BDADLO COc1ncncc1C[NH2+]Cc1cccc(F)n1 ZINC000842694907 588053428 /nfs/dbraw/zinc/05/34/28/588053428.db2.gz UJHYMHMVXUAWGB-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1(F)CC1 ZINC000842779489 588062870 /nfs/dbraw/zinc/06/28/70/588062870.db2.gz GLCILBYDEVRIDY-QMMMGPOBSA-N 1 2 219.231 1.076 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1(F)CC1 ZINC000842779489 588062872 /nfs/dbraw/zinc/06/28/72/588062872.db2.gz GLCILBYDEVRIDY-QMMMGPOBSA-N 1 2 219.231 1.076 20 0 BDADLO CC[NH2+]Cc1noc(-c2c[nH]c(=O)cc2C)n1 ZINC000843144659 588086798 /nfs/dbraw/zinc/08/67/98/588086798.db2.gz GGKSMTQUEZNRLV-UHFFFAOYSA-N 1 2 234.259 1.255 20 0 BDADLO CCC[C@H](C)c1noc(C[NH2+]CCOC)n1 ZINC000843185523 588090691 /nfs/dbraw/zinc/09/06/91/588090691.db2.gz UTUBLCXGZTYCSR-VIFPVBQESA-N 1 2 227.308 1.709 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(F)CC2)C1 ZINC000843570514 588124936 /nfs/dbraw/zinc/12/49/36/588124936.db2.gz ICEZNSHHOROWHM-VIFPVBQESA-N 1 2 237.278 1.238 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1(C(F)F)CC1 ZINC000843749553 588137377 /nfs/dbraw/zinc/13/73/77/588137377.db2.gz LJGGZABIONFBRA-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(F)CC1 ZINC000843900084 588149192 /nfs/dbraw/zinc/14/91/92/588149192.db2.gz VQVYIPOAMONSLZ-UHFFFAOYSA-N 1 2 211.240 1.021 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000844137480 588169765 /nfs/dbraw/zinc/16/97/65/588169765.db2.gz PTTYFEDJMSVJDU-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1OCCO2 ZINC000844234005 588175881 /nfs/dbraw/zinc/17/58/81/588175881.db2.gz LITUBFPCIYSKAU-UHFFFAOYSA-N 1 2 216.240 1.858 20 0 BDADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1C/C(Cl)=C/Cl ZINC000844393179 588189736 /nfs/dbraw/zinc/18/97/36/588189736.db2.gz PFCMOPFGGYRLQK-LBGXYMLMSA-N 1 2 240.130 1.387 20 0 BDADLO COC[C@@H]1C[C@@H](O)C[N@H+]1C/C(Cl)=C/Cl ZINC000844393179 588189737 /nfs/dbraw/zinc/18/97/37/588189737.db2.gz PFCMOPFGGYRLQK-LBGXYMLMSA-N 1 2 240.130 1.387 20 0 BDADLO CC[N@H+](Cc1nonc1C)[C@@H]1CCCOC1 ZINC000844402800 588190091 /nfs/dbraw/zinc/19/00/91/588190091.db2.gz WHLYEEIJWDQOPD-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1nonc1C)[C@@H]1CCCOC1 ZINC000844402800 588190093 /nfs/dbraw/zinc/19/00/93/588190093.db2.gz WHLYEEIJWDQOPD-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000844406035 588190361 /nfs/dbraw/zinc/19/03/61/588190361.db2.gz ZEERKGSYUQAPNJ-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844463937 588197140 /nfs/dbraw/zinc/19/71/40/588197140.db2.gz TZBOULIOFFTQLA-DTORHVGOSA-N 1 2 241.241 1.182 20 0 BDADLO COc1nccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844463937 588197141 /nfs/dbraw/zinc/19/71/41/588197141.db2.gz TZBOULIOFFTQLA-DTORHVGOSA-N 1 2 241.241 1.182 20 0 BDADLO COC/C(C)=C\C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000844553666 588202077 /nfs/dbraw/zinc/20/20/77/588202077.db2.gz VMQPHNWGBQWSJT-UJICNMFASA-N 1 2 235.287 1.037 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@H](C)CC2=O)[C@H](C)CO1 ZINC000844728471 588215377 /nfs/dbraw/zinc/21/53/77/588215377.db2.gz IITUZNHRFAMWCL-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@H](C)CC2=O)[C@H](C)CO1 ZINC000844728471 588215378 /nfs/dbraw/zinc/21/53/78/588215378.db2.gz IITUZNHRFAMWCL-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCOC2=S)[C@H](C)CO1 ZINC000844734593 588215448 /nfs/dbraw/zinc/21/54/48/588215448.db2.gz XXTBWEZXLAFNQQ-NXEZZACHSA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCOC2=S)[C@H](C)CO1 ZINC000844734593 588215449 /nfs/dbraw/zinc/21/54/49/588215449.db2.gz XXTBWEZXLAFNQQ-NXEZZACHSA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCCC2=O)[C@@H](C)CO1 ZINC000844734263 588215543 /nfs/dbraw/zinc/21/55/43/588215543.db2.gz WGLQCQHUPUPPGC-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCCC2=O)[C@@H](C)CO1 ZINC000844734263 588215544 /nfs/dbraw/zinc/21/55/44/588215544.db2.gz WGLQCQHUPUPPGC-WDEREUQCSA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844752673 588216058 /nfs/dbraw/zinc/21/60/58/588216058.db2.gz CPTWPMWVMATSAT-BBBLOLIVSA-N 1 2 244.285 1.399 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000844752673 588216059 /nfs/dbraw/zinc/21/60/59/588216059.db2.gz CPTWPMWVMATSAT-BBBLOLIVSA-N 1 2 244.285 1.399 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845221689 588224181 /nfs/dbraw/zinc/22/41/81/588224181.db2.gz NDNYKSJLNFJTCR-QWHCGFSZSA-N 1 2 248.326 1.942 20 0 BDADLO C[C@H](CC(=O)OC[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000845280259 588225595 /nfs/dbraw/zinc/22/55/95/588225595.db2.gz IBYRESJSJHPIIY-GHMZBOCLSA-N 1 2 238.287 1.414 20 0 BDADLO C[C@@H](CC(=O)O[C@@H]1CCOC1)n1cc[nH+]c1 ZINC000845284589 588225661 /nfs/dbraw/zinc/22/56/61/588225661.db2.gz BWULCBFGYJNSMS-VHSXEESVSA-N 1 2 224.260 1.166 20 0 BDADLO C[C@H](CC(=O)OCc1ccncc1)n1cc[nH+]c1 ZINC000845284829 588225674 /nfs/dbraw/zinc/22/56/74/588225674.db2.gz OFGGTZHNPIKISG-LLVKDONJSA-N 1 2 245.282 1.973 20 0 BDADLO COCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284058 588225798 /nfs/dbraw/zinc/22/57/98/588225798.db2.gz KALQILCKEZUVHW-NSHDSACASA-N 1 2 240.303 1.804 20 0 BDADLO CCCC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283498 588225838 /nfs/dbraw/zinc/22/58/38/588225838.db2.gz XCQHKDMMOJMUSO-JTQLQIEISA-N 1 2 238.287 1.747 20 0 BDADLO C[C@@H](CC(=O)OCc1cncn1C)n1cc[nH+]c1 ZINC000845479579 588229906 /nfs/dbraw/zinc/22/99/06/588229906.db2.gz REKNZKXWKJGZQL-JTQLQIEISA-N 1 2 248.286 1.311 20 0 BDADLO C[C@@H](CC(=O)O[C@@H]1CCCOC1)n1cc[nH+]c1 ZINC000845490278 588230561 /nfs/dbraw/zinc/23/05/61/588230561.db2.gz WZZDPBBQNUNOGT-WDEREUQCSA-N 1 2 238.287 1.556 20 0 BDADLO CCONC(=O)CNc1[nH]c2ccccc2[nH+]1 ZINC000845716510 588242312 /nfs/dbraw/zinc/24/23/12/588242312.db2.gz VRQNWCPEOZSVIE-UHFFFAOYSA-N 1 2 234.259 1.043 20 0 BDADLO C[C@H](CC(=O)Nc1ccon1)n1cc[nH+]c1 ZINC000845907131 588249999 /nfs/dbraw/zinc/24/99/99/588249999.db2.gz MPLDSYJZPYNMEP-MRVPVSSYSA-N 1 2 220.232 1.461 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncnc2)[C@H](CC)CO1 ZINC000846026089 588254073 /nfs/dbraw/zinc/25/40/73/588254073.db2.gz CDRDZBHEVZRXRB-CHWSQXEVSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncnc2)[C@H](CC)CO1 ZINC000846026089 588254074 /nfs/dbraw/zinc/25/40/74/588254074.db2.gz CDRDZBHEVZRXRB-CHWSQXEVSA-N 1 2 235.331 1.866 20 0 BDADLO CCONC(=O)C[NH2+]CC1CCC(C)(C)CC1 ZINC000846086803 588255733 /nfs/dbraw/zinc/25/57/33/588255733.db2.gz PHDWBFTVVPKFOU-UHFFFAOYSA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000846086903 588255857 /nfs/dbraw/zinc/25/58/57/588255857.db2.gz QCQAFRIIJMYLDH-SNVBAGLBSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000846091469 588256106 /nfs/dbraw/zinc/25/61/06/588256106.db2.gz MOGCDINXLLNOAB-VHSXEESVSA-N 1 2 246.376 1.174 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000846088346 588256325 /nfs/dbraw/zinc/25/63/25/588256325.db2.gz XSQPJINMLLATHJ-QWRGUYRKSA-N 1 2 228.336 1.470 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@]1(C)CC ZINC000846090241 588256428 /nfs/dbraw/zinc/25/64/28/588256428.db2.gz DLCCRMIQSOEYQW-JQWIXIFHSA-N 1 2 228.336 1.613 20 0 BDADLO COc1nccnc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113550 588257573 /nfs/dbraw/zinc/25/75/73/588257573.db2.gz MLJAQWNAHIMVGZ-OCAPTIKFSA-N 1 2 241.241 1.182 20 0 BDADLO COc1nccnc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113550 588257574 /nfs/dbraw/zinc/25/75/74/588257574.db2.gz MLJAQWNAHIMVGZ-OCAPTIKFSA-N 1 2 241.241 1.182 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)nn1 ZINC000846121303 588258038 /nfs/dbraw/zinc/25/80/38/588258038.db2.gz XORFNWFICHXEPN-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@H](F)C2)nn1 ZINC000846121303 588258039 /nfs/dbraw/zinc/25/80/39/588258039.db2.gz XORFNWFICHXEPN-SNVBAGLBSA-N 1 2 209.268 1.719 20 0 BDADLO C[C@H](CC(=O)NOC1CCC1)n1cc[nH+]c1 ZINC000846236695 588262194 /nfs/dbraw/zinc/26/21/94/588262194.db2.gz BFSMMXHRKNSZDF-SECBINFHSA-N 1 2 223.276 1.435 20 0 BDADLO CC(C)(NC(=O)c1ccc(F)nc1)c1[nH]cc[nH+]1 ZINC000846245740 588262426 /nfs/dbraw/zinc/26/24/26/588262426.db2.gz ITYAKVMGDAUPQS-UHFFFAOYSA-N 1 2 248.261 1.609 20 0 BDADLO COC/C(C)=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846247583 588262676 /nfs/dbraw/zinc/26/26/76/588262676.db2.gz SOLQMYKYIYNZIQ-CLFYSBASSA-N 1 2 237.303 1.354 20 0 BDADLO c1nsnc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000846771417 588287479 /nfs/dbraw/zinc/28/74/79/588287479.db2.gz JGFRSLHUFKXJQW-VIFPVBQESA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000846771417 588287480 /nfs/dbraw/zinc/28/74/80/588287480.db2.gz JGFRSLHUFKXJQW-VIFPVBQESA-N 1 2 239.344 1.539 20 0 BDADLO c1cc([C@H]2CCC[N@@H+](Cc3cnsn3)C2)n[nH]1 ZINC000846775700 588287818 /nfs/dbraw/zinc/28/78/18/588287818.db2.gz AXUDUISGNZUUJF-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO c1cc([C@H]2CCC[N@H+](Cc3cnsn3)C2)n[nH]1 ZINC000846775700 588287819 /nfs/dbraw/zinc/28/78/19/588287819.db2.gz AXUDUISGNZUUJF-VIFPVBQESA-N 1 2 249.343 1.641 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846808547 588289884 /nfs/dbraw/zinc/28/98/84/588289884.db2.gz YQAOUUDNLZWMMB-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846808547 588289885 /nfs/dbraw/zinc/28/98/85/588289885.db2.gz YQAOUUDNLZWMMB-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO CCN1C[C@H](C[N@@H+]2CCC=C(F)C2)OC1=O ZINC000846839820 588292349 /nfs/dbraw/zinc/29/23/49/588292349.db2.gz FGXNHTQYTFHMRR-JTQLQIEISA-N 1 2 228.267 1.386 20 0 BDADLO CCN1C[C@H](C[N@H+]2CCC=C(F)C2)OC1=O ZINC000846839820 588292350 /nfs/dbraw/zinc/29/23/50/588292350.db2.gz FGXNHTQYTFHMRR-JTQLQIEISA-N 1 2 228.267 1.386 20 0 BDADLO C[N@H+](CCc1ccncc1)Cc1cnsn1 ZINC000846840283 588292547 /nfs/dbraw/zinc/29/25/47/588292547.db2.gz QIGAXLNBFFWYKE-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1ccncc1)Cc1cnsn1 ZINC000846840283 588292548 /nfs/dbraw/zinc/29/25/48/588292548.db2.gz QIGAXLNBFFWYKE-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO COCC1(C)CC[NH+](Cc2cnsn2)CC1 ZINC000846840679 588292579 /nfs/dbraw/zinc/29/25/79/588292579.db2.gz MUVHMJJBVVMNAF-UHFFFAOYSA-N 1 2 241.360 1.787 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2cnsn2)[nH]1 ZINC000846840369 588292702 /nfs/dbraw/zinc/29/27/02/588292702.db2.gz HEPZIUOSWYHWFW-VIFPVBQESA-N 1 2 235.316 1.598 20 0 BDADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cnsn1 ZINC000846865427 588293996 /nfs/dbraw/zinc/29/39/96/588293996.db2.gz KXRSIMLMDFFQHU-YUMQZZPRSA-N 1 2 227.333 1.272 20 0 BDADLO C[C@H]1C[N@H+](CC2(Br)CC2)CCC1=O ZINC000846861786 588294071 /nfs/dbraw/zinc/29/40/71/588294071.db2.gz NFOHKAHKJKJMOL-QMMMGPOBSA-N 1 2 246.148 1.825 20 0 BDADLO C[C@H]1C[N@@H+](CC2(Br)CC2)CCC1=O ZINC000846861786 588294072 /nfs/dbraw/zinc/29/40/72/588294072.db2.gz NFOHKAHKJKJMOL-QMMMGPOBSA-N 1 2 246.148 1.825 20 0 BDADLO C[C@H](CO)[N@@H+](Cc1cnsn1)CC1CCC1 ZINC000846882802 588295336 /nfs/dbraw/zinc/29/53/36/588295336.db2.gz NAFQACBNSNUDPT-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H](CO)[N@H+](Cc1cnsn1)CC1CCC1 ZINC000846882802 588295337 /nfs/dbraw/zinc/29/53/37/588295337.db2.gz NAFQACBNSNUDPT-SECBINFHSA-N 1 2 241.360 1.521 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnsn2)[C@@H](C)C1 ZINC000846890743 588295588 /nfs/dbraw/zinc/29/55/88/588295588.db2.gz VSACWRRIDXIULO-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnsn2)[C@@H](C)C1 ZINC000846890743 588295589 /nfs/dbraw/zinc/29/55/89/588295589.db2.gz VSACWRRIDXIULO-WCBMZHEXSA-N 1 2 227.333 1.537 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000846894988 588295977 /nfs/dbraw/zinc/29/59/77/588295977.db2.gz LHAARTVFINMMCU-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000846894988 588295978 /nfs/dbraw/zinc/29/59/78/588295978.db2.gz LHAARTVFINMMCU-LLVKDONJSA-N 1 2 239.344 1.541 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000846985210 588300168 /nfs/dbraw/zinc/30/01/68/588300168.db2.gz ROERJPPKAXKEPJ-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846985210 588300169 /nfs/dbraw/zinc/30/01/69/588300169.db2.gz ROERJPPKAXKEPJ-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000847013582 588301463 /nfs/dbraw/zinc/30/14/63/588301463.db2.gz MTCMLRXLWPAEHK-PRJMDXOYSA-N 1 2 240.257 1.317 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000847013582 588301464 /nfs/dbraw/zinc/30/14/64/588301464.db2.gz MTCMLRXLWPAEHK-PRJMDXOYSA-N 1 2 240.257 1.317 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CC[C@H](C)O ZINC000847064396 588305816 /nfs/dbraw/zinc/30/58/16/588305816.db2.gz SZJMQVOBMQQNAI-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO C/C=C(\C)C(=O)NCc1[nH+]ccn1CC ZINC000848174480 588365057 /nfs/dbraw/zinc/36/50/57/588365057.db2.gz LEXKTBLZRYWULS-RUDMXATFSA-N 1 2 207.277 1.485 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387206 588375722 /nfs/dbraw/zinc/37/57/22/588375722.db2.gz NWARPZXQBUZJGA-HTQZYQBOSA-N 1 2 213.256 1.581 20 0 BDADLO COC[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848783096 588413519 /nfs/dbraw/zinc/41/35/19/588413519.db2.gz RRMCFXHUCUCWDF-SNVBAGLBSA-N 1 2 248.282 1.834 20 0 BDADLO Cn1c(C[NH+]2CCSCC2)cnc1Cl ZINC000848880045 588416308 /nfs/dbraw/zinc/41/63/08/588416308.db2.gz AZONNWHUCIPKAE-UHFFFAOYSA-N 1 2 231.752 1.622 20 0 BDADLO Cn1c(C[NH+]2CC(C3CC3)C2)cnc1Cl ZINC000848913122 588420044 /nfs/dbraw/zinc/42/00/44/588420044.db2.gz OVYMZGNEIJQIRX-UHFFFAOYSA-N 1 2 225.723 1.915 20 0 BDADLO Cn1c(NCc2[nH]cc[nH+]2)nnc1C1CC1 ZINC000849347096 588474570 /nfs/dbraw/zinc/47/45/70/588474570.db2.gz QTXRVRNDOLCKOF-UHFFFAOYSA-N 1 2 218.264 1.028 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]Cc2cocn2)c2ccccc21 ZINC000850374172 588541473 /nfs/dbraw/zinc/54/14/73/588541473.db2.gz KPHXZEXJWLVISR-CHWSQXEVSA-N 1 2 230.267 1.943 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1nccn1C ZINC000850410035 588544525 /nfs/dbraw/zinc/54/45/25/588544525.db2.gz MDVREARGHUJUNT-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)CC(C)(C)C)[nH]1 ZINC000850517462 588555836 /nfs/dbraw/zinc/55/58/36/588555836.db2.gz UXGHOJGPPUDIPO-SECBINFHSA-N 1 2 240.351 1.865 20 0 BDADLO CCC[N@@H+](CC(=O)OC)C[C@H]1COC(C)(C)O1 ZINC000851729448 588619021 /nfs/dbraw/zinc/61/90/21/588619021.db2.gz AKJUVLGUILZAFI-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO CCC[N@H+](CC(=O)OC)C[C@H]1COC(C)(C)O1 ZINC000851729448 588619022 /nfs/dbraw/zinc/61/90/22/588619022.db2.gz AKJUVLGUILZAFI-JTQLQIEISA-N 1 2 245.319 1.023 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@H]1COC(C)(C)O1 ZINC000851735369 588620312 /nfs/dbraw/zinc/62/03/12/588620312.db2.gz UWKIQIYPHIDYNF-JTQLQIEISA-N 1 2 242.344 1.726 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@H]1COC(C)(C)O1 ZINC000851735369 588620313 /nfs/dbraw/zinc/62/03/13/588620313.db2.gz UWKIQIYPHIDYNF-JTQLQIEISA-N 1 2 242.344 1.726 20 0 BDADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2cnon2)C1(C)C ZINC000851782405 588627988 /nfs/dbraw/zinc/62/79/88/588627988.db2.gz SBIUGFPEWMKGCC-QWRGUYRKSA-N 1 2 239.319 1.705 20 0 BDADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cnon2)C1(C)C ZINC000851782405 588627989 /nfs/dbraw/zinc/62/79/89/588627989.db2.gz SBIUGFPEWMKGCC-QWRGUYRKSA-N 1 2 239.319 1.705 20 0 BDADLO C[C@H]1C[NH+](Cc2cnon2)C[C@H](C)S1 ZINC000851786731 588628874 /nfs/dbraw/zinc/62/88/74/588628874.db2.gz CIJMZQXLWXKDON-YUMQZZPRSA-N 1 2 213.306 1.395 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000851802225 588630932 /nfs/dbraw/zinc/63/09/32/588630932.db2.gz FTIQBENWLYBXOT-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000851802225 588630933 /nfs/dbraw/zinc/63/09/33/588630933.db2.gz FTIQBENWLYBXOT-LBPRGKRZSA-N 1 2 230.271 1.802 20 0 BDADLO CC1(C)C[N@H+](Cc2cnon2)CCS1 ZINC000851804619 588631374 /nfs/dbraw/zinc/63/13/74/588631374.db2.gz DODRZTTWASTKTC-UHFFFAOYSA-N 1 2 213.306 1.397 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnon2)CCS1 ZINC000851804619 588631375 /nfs/dbraw/zinc/63/13/75/588631375.db2.gz DODRZTTWASTKTC-UHFFFAOYSA-N 1 2 213.306 1.397 20 0 BDADLO C[N@H+](CCOCc1ccccc1)Cc1cnon1 ZINC000851808055 588631525 /nfs/dbraw/zinc/63/15/25/588631525.db2.gz KITUXEHFTLZWBF-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO C[N@@H+](CCOCc1ccccc1)Cc1cnon1 ZINC000851808055 588631526 /nfs/dbraw/zinc/63/15/26/588631526.db2.gz KITUXEHFTLZWBF-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cnon1 ZINC000851842650 588634371 /nfs/dbraw/zinc/63/43/71/588634371.db2.gz YTDRYKFZZGUJOW-VIFPVBQESA-N 1 2 233.271 1.968 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cnon1 ZINC000851842650 588634372 /nfs/dbraw/zinc/63/43/72/588634372.db2.gz YTDRYKFZZGUJOW-VIFPVBQESA-N 1 2 233.271 1.968 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cnon1 ZINC000851842649 588634460 /nfs/dbraw/zinc/63/44/60/588634460.db2.gz YTDRYKFZZGUJOW-SECBINFHSA-N 1 2 233.271 1.968 20 0 BDADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cnon1 ZINC000851842649 588634461 /nfs/dbraw/zinc/63/44/61/588634461.db2.gz YTDRYKFZZGUJOW-SECBINFHSA-N 1 2 233.271 1.968 20 0 BDADLO COC(=O)C(C)(C)CC[N@H+](C)Cc1ncc[nH]1 ZINC000851873765 588638075 /nfs/dbraw/zinc/63/80/75/588638075.db2.gz MXYOQAMQWSCBMS-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO COC(=O)C(C)(C)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000851873765 588638076 /nfs/dbraw/zinc/63/80/76/588638076.db2.gz MXYOQAMQWSCBMS-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000851874035 588638206 /nfs/dbraw/zinc/63/82/06/588638206.db2.gz YLMCQEUPAMYAPT-JTQLQIEISA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000851874035 588638207 /nfs/dbraw/zinc/63/82/07/588638207.db2.gz YLMCQEUPAMYAPT-JTQLQIEISA-N 1 2 249.314 1.327 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000851874035 588638208 /nfs/dbraw/zinc/63/82/08/588638208.db2.gz YLMCQEUPAMYAPT-JTQLQIEISA-N 1 2 249.314 1.327 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000851874036 588638265 /nfs/dbraw/zinc/63/82/65/588638265.db2.gz YLMCQEUPAMYAPT-SNVBAGLBSA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000851874036 588638266 /nfs/dbraw/zinc/63/82/66/588638266.db2.gz YLMCQEUPAMYAPT-SNVBAGLBSA-N 1 2 249.314 1.327 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000851874036 588638267 /nfs/dbraw/zinc/63/82/67/588638267.db2.gz YLMCQEUPAMYAPT-SNVBAGLBSA-N 1 2 249.314 1.327 20 0 BDADLO Fc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC000851879773 588638899 /nfs/dbraw/zinc/63/88/99/588638899.db2.gz MNFOHHMSRDRAMW-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC000851879773 588638900 /nfs/dbraw/zinc/63/89/00/588638900.db2.gz MNFOHHMSRDRAMW-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO CC[C@@](C)([NH2+]CCOC(F)F)C(=O)OC ZINC000851885410 588639800 /nfs/dbraw/zinc/63/98/00/588639800.db2.gz HEWAWBDLLWTFFM-SECBINFHSA-N 1 2 225.235 1.157 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cccc(F)n1 ZINC000851923847 588644289 /nfs/dbraw/zinc/64/42/89/588644289.db2.gz VOIIAPNKTDDILI-FVMDXXJSSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(F)n1 ZINC000851923847 588644290 /nfs/dbraw/zinc/64/42/90/588644290.db2.gz VOIIAPNKTDDILI-FVMDXXJSSA-N 1 2 244.335 1.420 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnon1)c1c(C)noc1C ZINC000851928056 588644545 /nfs/dbraw/zinc/64/45/45/588644545.db2.gz PHNYEVALRSGUAG-SNVBAGLBSA-N 1 2 236.275 1.915 20 0 BDADLO C[C@@H](CO)[C@H](C)[NH2+]CC(F)(F)Br ZINC000851933881 588645322 /nfs/dbraw/zinc/64/53/22/588645322.db2.gz VUQKGIXPOXETDJ-WDSKDSINSA-N 1 2 246.095 1.581 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cccc(F)n2)C1 ZINC000852020228 588655929 /nfs/dbraw/zinc/65/59/29/588655929.db2.gz ULEKCBSOOAFFGN-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852020228 588655930 /nfs/dbraw/zinc/65/59/30/588655930.db2.gz ULEKCBSOOAFFGN-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO CON(Cc1cn(C)c[nH+]1)CC(C)(C)C ZINC000852041082 588657204 /nfs/dbraw/zinc/65/72/04/588657204.db2.gz PWDSBFMEEANGQK-UHFFFAOYSA-N 1 2 211.309 1.830 20 0 BDADLO C[N@H+](CCOC(F)F)[C@H]1CC(C)(C)OC1=O ZINC000852079050 588660120 /nfs/dbraw/zinc/66/01/20/588660120.db2.gz KZUKMBBDCZFMCF-ZETCQYMHSA-N 1 2 237.246 1.252 20 0 BDADLO C[N@@H+](CCOC(F)F)[C@H]1CC(C)(C)OC1=O ZINC000852079050 588660121 /nfs/dbraw/zinc/66/01/21/588660121.db2.gz KZUKMBBDCZFMCF-ZETCQYMHSA-N 1 2 237.246 1.252 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1CCOC(F)F ZINC000852094359 588661501 /nfs/dbraw/zinc/66/15/01/588661501.db2.gz YQJHIGNFRHCAEM-SECBINFHSA-N 1 2 222.279 1.252 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1CCOC(F)F ZINC000852094359 588661502 /nfs/dbraw/zinc/66/15/02/588661502.db2.gz YQJHIGNFRHCAEM-SECBINFHSA-N 1 2 222.279 1.252 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+]C1(CCO)CCCC1 ZINC000852119035 588664960 /nfs/dbraw/zinc/66/49/60/588664960.db2.gz UBMAWXLKDOWQFC-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO C[C@H]([NH2+]CCOC(F)F)c1csnn1 ZINC000852175508 588669406 /nfs/dbraw/zinc/66/94/06/588669406.db2.gz HCUSEULWHFEJEJ-YFKPBYRVSA-N 1 2 223.248 1.428 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnon2)CC2(CCCC2)O1 ZINC000852209498 588672111 /nfs/dbraw/zinc/67/21/11/588672111.db2.gz PULRCJUGCOJUOE-SNVBAGLBSA-N 1 2 237.303 1.603 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnon2)CC2(CCCC2)O1 ZINC000852209498 588672112 /nfs/dbraw/zinc/67/21/12/588672112.db2.gz PULRCJUGCOJUOE-SNVBAGLBSA-N 1 2 237.303 1.603 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000852320828 588678584 /nfs/dbraw/zinc/67/85/84/588678584.db2.gz PJVVMTOMWNVTLV-PWSUYJOCSA-N 1 2 243.347 1.469 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC(c2ccco2)CC1 ZINC000852324190 588678647 /nfs/dbraw/zinc/67/86/47/588678647.db2.gz RFJGSXQBFHDRDM-NSHDSACASA-N 1 2 235.283 1.775 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC1CC(C)(C)C1 ZINC000852343760 588679113 /nfs/dbraw/zinc/67/91/13/588679113.db2.gz GMIGMGNWNXAYGN-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@@H]1C[NH+](C[C@@H](O)c2ccccn2)C[C@@H](C)C1=O ZINC000852477601 588683344 /nfs/dbraw/zinc/68/33/44/588683344.db2.gz URKDHLBXXDTIRZ-NQBHXWOUSA-N 1 2 248.326 1.272 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852585390 588692525 /nfs/dbraw/zinc/69/25/25/588692525.db2.gz FGMOFHMVHYQLQA-GHMZBOCLSA-N 1 2 241.331 1.223 20 0 BDADLO Cc1conc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000861197343 589149654 /nfs/dbraw/zinc/14/96/54/589149654.db2.gz HMPNVWBXZPDTBM-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO Cc1conc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000861197343 589149655 /nfs/dbraw/zinc/14/96/55/589149655.db2.gz HMPNVWBXZPDTBM-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO C[C@@H]1SCC[N@H+](CN2CCSC2=O)[C@H]1C ZINC000118382830 589169494 /nfs/dbraw/zinc/16/94/94/589169494.db2.gz NKAFEICHGCLTFE-IUCAKERBSA-N 1 2 246.401 1.939 20 0 BDADLO C[C@@H]1SCC[N@@H+](CN2CCSC2=O)[C@H]1C ZINC000118382830 589169495 /nfs/dbraw/zinc/16/94/95/589169495.db2.gz NKAFEICHGCLTFE-IUCAKERBSA-N 1 2 246.401 1.939 20 0 BDADLO CCO[C@H](C(=O)NCc1c[nH+]cn1C)C(C)C ZINC000861752233 589176379 /nfs/dbraw/zinc/17/63/79/589176379.db2.gz CNRPZMKSAAOLJP-NSHDSACASA-N 1 2 239.319 1.097 20 0 BDADLO O=C(C=C1CCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000861758657 589176667 /nfs/dbraw/zinc/17/66/67/589176667.db2.gz BXAVSYRKMHOEFH-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO O=C(C=C1CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000861758657 589176668 /nfs/dbraw/zinc/17/66/68/589176668.db2.gz BXAVSYRKMHOEFH-UHFFFAOYSA-N 1 2 231.299 1.795 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NOCC1CC1)CC2 ZINC000861823181 589179302 /nfs/dbraw/zinc/17/93/02/589179302.db2.gz FFMZEDHSNNKOCA-LLVKDONJSA-N 1 2 249.314 1.212 20 0 BDADLO Cc1c(C[N@@H+]2CCO[C@H](C)C2)ccnc1F ZINC000862215059 589194424 /nfs/dbraw/zinc/19/44/24/589194424.db2.gz GXMZVRIRHBQAPE-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(C[N@H+]2CCO[C@H](C)C2)ccnc1F ZINC000862215059 589194426 /nfs/dbraw/zinc/19/44/26/589194426.db2.gz GXMZVRIRHBQAPE-SECBINFHSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(F)nccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000862335191 589201359 /nfs/dbraw/zinc/20/13/59/589201359.db2.gz AEJPKHILLZQNFW-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cccnc2F)o1 ZINC000862350605 589202059 /nfs/dbraw/zinc/20/20/59/589202059.db2.gz BRZQDBILFHOIDI-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443783 589214074 /nfs/dbraw/zinc/21/40/74/589214074.db2.gz UBNPZFXSKSMYCB-OCAPTIKFSA-N 1 2 211.696 1.525 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443783 589214076 /nfs/dbraw/zinc/21/40/76/589214076.db2.gz UBNPZFXSKSMYCB-OCAPTIKFSA-N 1 2 211.696 1.525 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2ccoc2)CCO1 ZINC000862551842 589220668 /nfs/dbraw/zinc/22/06/68/589220668.db2.gz QGCVJJNZPGPHFD-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2ccoc2)CCO1 ZINC000862551842 589220670 /nfs/dbraw/zinc/22/06/70/589220670.db2.gz QGCVJJNZPGPHFD-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO CCC/C(C)=C\C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862973968 589250154 /nfs/dbraw/zinc/25/01/54/589250154.db2.gz XWDMYDDMJHSARI-NXIHDVOMSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C(C)=C\C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862973968 589250156 /nfs/dbraw/zinc/25/01/56/589250156.db2.gz XWDMYDDMJHSARI-NXIHDVOMSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C(C)=C/C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862973969 589250250 /nfs/dbraw/zinc/25/02/50/589250250.db2.gz XWDMYDDMJHSARI-OBIHZWKSSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C(C)=C/C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862973969 589250251 /nfs/dbraw/zinc/25/02/51/589250251.db2.gz XWDMYDDMJHSARI-OBIHZWKSSA-N 1 2 240.347 1.180 20 0 BDADLO CC[C@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000119209097 589250835 /nfs/dbraw/zinc/25/08/35/589250835.db2.gz ZYWCJYMPMZWXHL-JTQLQIEISA-N 1 2 228.361 1.251 20 0 BDADLO C[C@@H]1C[C@@H]1CON=C(N)C[NH+]1CCSCC1 ZINC000863467601 589290640 /nfs/dbraw/zinc/29/06/40/589290640.db2.gz CIJKLIRMIHYTAE-NXEZZACHSA-N 1 2 243.376 1.190 20 0 BDADLO CCOC1CC(O[NH+]=C(N)[C@H]2CCCO2)C1 ZINC000863472728 589291269 /nfs/dbraw/zinc/29/12/69/589291269.db2.gz NKWMQMGBIQQJIX-UDNWOFFPSA-N 1 2 228.292 1.231 20 0 BDADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000863475270 589291802 /nfs/dbraw/zinc/29/18/02/589291802.db2.gz KALJNKDAPUJSHH-MXWKQRLJSA-N 1 2 242.319 1.336 20 0 BDADLO C[C@]12CCCC[C@H]1CN2C(=O)Cc1[nH]cc[nH+]1 ZINC000863590105 589302549 /nfs/dbraw/zinc/30/25/49/589302549.db2.gz CSDCAFBJJZESII-GWCFXTLKSA-N 1 2 233.315 1.743 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000863668531 589309168 /nfs/dbraw/zinc/30/91/68/589309168.db2.gz QAPSYBICPKCAPP-MGCOHNPYSA-N 1 2 245.282 1.242 20 0 BDADLO C[C@H]1COC2(CCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000864067530 589338322 /nfs/dbraw/zinc/33/83/22/589338322.db2.gz IVTWVNSOKLPTOT-JTQLQIEISA-N 1 2 249.314 1.122 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2C[C@H](O)C23CCC3)[nH+]1 ZINC000864093391 589344546 /nfs/dbraw/zinc/34/45/46/589344546.db2.gz PDVZOOXYLWIXIY-WCQGTBRESA-N 1 2 248.326 1.850 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000864414091 589360173 /nfs/dbraw/zinc/36/01/73/589360173.db2.gz ZISSWUXVSFTRCS-VOAKCMCISA-N 1 2 247.342 1.682 20 0 BDADLO CCCCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864793784 589394602 /nfs/dbraw/zinc/39/46/02/589394602.db2.gz BBWBYZQCBPPSJO-LLVKDONJSA-N 1 2 237.303 1.234 20 0 BDADLO CCCN(CC)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864810223 589395094 /nfs/dbraw/zinc/39/50/94/589395094.db2.gz AILXHASBCMARIZ-AATRIKPKSA-N 1 2 240.347 1.133 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC1 ZINC000864844311 589397346 /nfs/dbraw/zinc/39/73/46/589397346.db2.gz OUNPJIVUKIHMNQ-QPUJVOFHSA-N 1 2 249.314 1.233 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000864878785 589399894 /nfs/dbraw/zinc/39/98/94/589399894.db2.gz AZPICCJWJKPNQS-CGGZTBSLSA-N 1 2 244.310 1.087 20 0 BDADLO CC/C=C(/F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000865028852 589405438 /nfs/dbraw/zinc/40/54/38/589405438.db2.gz AFOVVIUOYGNHTJ-QDEBKDIKSA-N 1 2 226.295 1.556 20 0 BDADLO O=Cc1c[nH]nc1C=Cc1cn(C2CC2)c[nH+]1 ZINC000865219528 589414515 /nfs/dbraw/zinc/41/45/15/589414515.db2.gz UAAFVKQWLNGSEM-DAFODLJHSA-N 1 2 228.255 1.924 20 0 BDADLO CCn1ncnc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376330 589428029 /nfs/dbraw/zinc/42/80/29/589428029.db2.gz JKBLOMHNILZRQR-UHFFFAOYSA-N 1 2 233.319 1.840 20 0 BDADLO CC(C)OC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376376 589428207 /nfs/dbraw/zinc/42/82/07/589428207.db2.gz LCSWHKLBRSQGOY-NSHDSACASA-N 1 2 240.347 1.967 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@@H](O)c2ccco2)[nH+]c1 ZINC000865439623 589435909 /nfs/dbraw/zinc/43/59/09/589435909.db2.gz YASOMTYCFHJXGG-MWLCHTKSSA-N 1 2 248.282 1.873 20 0 BDADLO C[C@@H](O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000865542304 589444713 /nfs/dbraw/zinc/44/47/13/589444713.db2.gz PXWFODJMWAECEU-SECBINFHSA-N 1 2 232.287 1.494 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1(F)CCOCC1 ZINC000865575118 589448259 /nfs/dbraw/zinc/44/82/59/589448259.db2.gz KEDMVCWRDGSYFQ-UHFFFAOYSA-N 1 2 238.262 1.269 20 0 BDADLO COc1cncc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000865656217 589454472 /nfs/dbraw/zinc/45/44/72/589454472.db2.gz LSYZONFPYQFKSQ-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(C(C)(C)C)o2)n1 ZINC000865814498 589462944 /nfs/dbraw/zinc/46/29/44/589462944.db2.gz HHOIUXVJKUTWJR-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865819101 589463224 /nfs/dbraw/zinc/46/32/24/589463224.db2.gz CCCRAZKATFIYHJ-UTLUCORTSA-N 1 2 224.304 1.970 20 0 BDADLO Cn1c[nH+]cc1CNc1ccn(CCF)n1 ZINC000865838028 589464098 /nfs/dbraw/zinc/46/40/98/589464098.db2.gz XWPQJRWWNLIWPF-UHFFFAOYSA-N 1 2 223.255 1.198 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@@H]2CCC[C@H]2O)[nH+]c1 ZINC000865862465 589465932 /nfs/dbraw/zinc/46/59/32/589465932.db2.gz LPJGMIUXMUPFTB-ADEWGFFLSA-N 1 2 236.315 1.708 20 0 BDADLO O[C@@H](CC[NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000865874313 589466653 /nfs/dbraw/zinc/46/66/53/589466653.db2.gz BHSUVHRWIUPHQM-LBPRGKRZSA-N 1 2 223.320 1.441 20 0 BDADLO CC(C)Cc1cc(NC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000865875338 589466657 /nfs/dbraw/zinc/46/66/57/589466657.db2.gz NYRNRIBIARQOQW-JTQLQIEISA-N 1 2 248.330 1.223 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2C[C@@](C)(O)C2)[nH+]c1 ZINC000865882166 589467213 /nfs/dbraw/zinc/46/72/13/589467213.db2.gz NGCFPXGVEQMRBW-PTOFAABTSA-N 1 2 222.288 1.460 20 0 BDADLO CCc1cc(N[C@H](CC)C(OC)OC)nc[nH+]1 ZINC000865922660 589468818 /nfs/dbraw/zinc/46/88/18/589468818.db2.gz BJZLAAGDDHSGBF-SNVBAGLBSA-N 1 2 239.319 1.848 20 0 BDADLO CC(C)c1nc(N[C@@H]2C(=O)NCC2(C)C)cc[nH+]1 ZINC000865948570 589469898 /nfs/dbraw/zinc/46/98/98/589469898.db2.gz PRJDFLXZFKKELS-SNVBAGLBSA-N 1 2 248.330 1.537 20 0 BDADLO C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866232521 589482002 /nfs/dbraw/zinc/48/20/02/589482002.db2.gz NPBOWFVUZCRVAC-KKZNHRDASA-N 1 2 237.303 1.090 20 0 BDADLO Cc1cc(N[C@@H](C)c2ccnn2C)nc[nH+]1 ZINC000866250917 589482801 /nfs/dbraw/zinc/48/28/01/589482801.db2.gz FTIKBDOHFRZGHV-VIFPVBQESA-N 1 2 217.276 1.692 20 0 BDADLO Cc1nc(N2CC(OC(C)(C)C)C2)cc[nH+]1 ZINC000866279592 589484228 /nfs/dbraw/zinc/48/42/28/589484228.db2.gz YGEVDKGZLFPVIN-UHFFFAOYSA-N 1 2 221.304 1.789 20 0 BDADLO COC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867898727 589537659 /nfs/dbraw/zinc/53/76/59/589537659.db2.gz MSWORUSZFCHVKI-UHFFFAOYSA-N 1 2 221.260 1.100 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(CC1CC1)C1CCC1 ZINC000867957618 589541496 /nfs/dbraw/zinc/54/14/96/589541496.db2.gz SBYZPIVVKBWLBV-LBPRGKRZSA-N 1 2 249.314 1.234 20 0 BDADLO CC/C=C(/F)C(=O)NCc1c[nH+]c(C)nc1N ZINC000868290395 589554082 /nfs/dbraw/zinc/55/40/82/589554082.db2.gz NNGLNAXPHFSYSA-RUDMXATFSA-N 1 2 238.266 1.247 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868467383 589559598 /nfs/dbraw/zinc/55/95/98/589559598.db2.gz JDYYBHQIVPSULM-GXSJLCMTSA-N 1 2 239.319 1.480 20 0 BDADLO Cc1conc1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000868620242 589568370 /nfs/dbraw/zinc/56/83/70/589568370.db2.gz QKQTUPIRUDHKSF-QMMMGPOBSA-N 1 2 232.243 1.054 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCC=CO1 ZINC000868677112 589572560 /nfs/dbraw/zinc/57/25/60/589572560.db2.gz GWSNFWPOANQGBD-QWRGUYRKSA-N 1 2 249.314 1.773 20 0 BDADLO CCOCC(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122295814 589577436 /nfs/dbraw/zinc/57/74/36/589577436.db2.gz RXHFXOUFBGOHFF-UHFFFAOYSA-N 1 2 239.271 1.478 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](C2CCC2)C1 ZINC000868894075 589581709 /nfs/dbraw/zinc/58/17/09/589581709.db2.gz NEGIHWOXABAOGQ-ZYHUDNBSSA-N 1 2 249.314 1.092 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000869887038 589635561 /nfs/dbraw/zinc/63/55/61/589635561.db2.gz IDQZCTSWVFJFBR-NOOOWODRSA-N 1 2 234.299 1.718 20 0 BDADLO Cc1cnc(F)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000870001387 589641605 /nfs/dbraw/zinc/64/16/05/589641605.db2.gz COLAOWROGGCXLT-UHFFFAOYSA-N 1 2 249.245 1.583 20 0 BDADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)C[N@@H+]2C ZINC000871600659 589768932 /nfs/dbraw/zinc/76/89/32/589768932.db2.gz BNBSINXPQBSNOM-SKDRFNHKSA-N 1 2 210.321 1.591 20 0 BDADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)C[N@H+]2C ZINC000871600659 589768934 /nfs/dbraw/zinc/76/89/34/589768934.db2.gz BNBSINXPQBSNOM-SKDRFNHKSA-N 1 2 210.321 1.591 20 0 BDADLO C[C@H]1OCC[C@@H]1CO[NH+]=C(N)COC(C)(C)C ZINC000871742080 589802593 /nfs/dbraw/zinc/80/25/93/589802593.db2.gz JSTNFPAFEVIHLK-NXEZZACHSA-N 1 2 244.335 1.725 20 0 BDADLO CC(C)CO[NH+]=C(N)COC1CCC1 ZINC000871775239 589813836 /nfs/dbraw/zinc/81/38/36/589813836.db2.gz KBUNDTVBZROWHD-UHFFFAOYSA-N 1 2 200.282 1.710 20 0 BDADLO Cc1ccnc(CO[NH+]=C(N)COC2CCC2)c1 ZINC000871778462 589813946 /nfs/dbraw/zinc/81/39/46/589813946.db2.gz JHAFMANRZLZOES-UHFFFAOYSA-N 1 2 249.314 1.958 20 0 BDADLO CSCCO[NH+]=C(N)COC1CCC1 ZINC000871777137 589814214 /nfs/dbraw/zinc/81/42/14/589814214.db2.gz ZZUHQNJWLBDNLF-UHFFFAOYSA-N 1 2 218.322 1.417 20 0 BDADLO COC(C)(C)CCO[NH+]=C(N)COC1CCC1 ZINC000871778358 589814285 /nfs/dbraw/zinc/81/42/85/589814285.db2.gz FFJWWQQMFROEHK-UHFFFAOYSA-N 1 2 244.335 1.869 20 0 BDADLO CSCCCO[NH+]=C(N)COC1CCC1 ZINC000871775300 589814387 /nfs/dbraw/zinc/81/43/87/589814387.db2.gz KWNGONPGOUSSFH-UHFFFAOYSA-N 1 2 232.349 1.807 20 0 BDADLO CCOCC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989154 589854917 /nfs/dbraw/zinc/85/49/17/589854917.db2.gz KVKXGURLRPBMAR-LLVKDONJSA-N 1 2 240.347 1.968 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccoc1 ZINC000123945575 589867017 /nfs/dbraw/zinc/86/70/17/589867017.db2.gz RWUPLQOZXRMSTK-JTQLQIEISA-N 1 2 209.245 1.417 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000123945575 589867016 /nfs/dbraw/zinc/86/70/16/589867016.db2.gz RWUPLQOZXRMSTK-JTQLQIEISA-N 1 2 209.245 1.417 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2nonc2C)cn1 ZINC000872135032 589878338 /nfs/dbraw/zinc/87/83/38/589878338.db2.gz CDGPVIJKMCPKLO-MRVPVSSYSA-N 1 2 235.291 1.445 20 0 BDADLO Cc1nonc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000872134264 589878396 /nfs/dbraw/zinc/87/83/96/589878396.db2.gz BITMKLDRQFGOBQ-SECBINFHSA-N 1 2 233.275 1.199 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000872136836 589879066 /nfs/dbraw/zinc/87/90/66/589879066.db2.gz PIGRAHLUZIZCNI-ZETCQYMHSA-N 1 2 247.302 1.636 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cc1cnc(C)o1 ZINC000888597730 589897760 /nfs/dbraw/zinc/89/77/60/589897760.db2.gz QDMSUTNDZHPGBS-UHFFFAOYSA-N 1 2 247.254 1.568 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncnc(F)c1C)CC2 ZINC000872507141 589946055 /nfs/dbraw/zinc/94/60/55/589946055.db2.gz OHZYHEVOIRWNTF-UHFFFAOYSA-N 1 2 247.277 1.449 20 0 BDADLO O=C1N(C[N@H+]2CC[C@@H](F)C2)C[C@@H]2CCCCN12 ZINC000872616107 589956908 /nfs/dbraw/zinc/95/69/08/589956908.db2.gz ZGBLDZMBKMYUBV-MNOVXSKESA-N 1 2 241.310 1.278 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@@H](F)C2)C[C@@H]2CCCCN12 ZINC000872616107 589956909 /nfs/dbraw/zinc/95/69/09/589956909.db2.gz ZGBLDZMBKMYUBV-MNOVXSKESA-N 1 2 241.310 1.278 20 0 BDADLO Cc1nc(NC[C@H]2C[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000872719248 589965184 /nfs/dbraw/zinc/96/51/84/589965184.db2.gz GNTBLVVXONJLEK-XYPYZODXSA-N 1 2 247.342 1.847 20 0 BDADLO O=C1CC[C@@H]([NH2+]c2ccc3c(c2)CCO3)CCN1 ZINC000873050763 589981651 /nfs/dbraw/zinc/98/16/51/589981651.db2.gz RVUPOMGXDJQWNK-LLVKDONJSA-N 1 2 246.310 1.702 20 0 BDADLO CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)=O ZINC000873403043 590038999 /nfs/dbraw/zinc/03/89/99/590038999.db2.gz BMHCHLYWDOQMLG-MWLCHTKSSA-N 1 2 238.287 1.745 20 0 BDADLO Cc1ccc(CCC[NH2+]C2CC(C(=O)[O-])C2)c[nH+]1 ZINC000874053439 590087767 /nfs/dbraw/zinc/08/77/67/590087767.db2.gz JHDNUFYSCJUGCJ-UHFFFAOYSA-N 1 2 248.326 1.775 20 0 BDADLO C[C@@H](O)c1ccc(N2CCC[C@@H](O)C2)[nH+]c1 ZINC000124927814 590101736 /nfs/dbraw/zinc/10/17/36/590101736.db2.gz CFSLYOCZYDMGLO-MWLCHTKSSA-N 1 2 222.288 1.096 20 0 BDADLO CCc1csc(NC(=O)C[NH+]2CCCC2)n1 ZINC000874387049 590107563 /nfs/dbraw/zinc/10/75/63/590107563.db2.gz XVJPPBQJKLKMCW-UHFFFAOYSA-N 1 2 239.344 1.740 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874701023 590124418 /nfs/dbraw/zinc/12/44/18/590124418.db2.gz QOILYYUMVZVOKT-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874701023 590124419 /nfs/dbraw/zinc/12/44/19/590124419.db2.gz QOILYYUMVZVOKT-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874703971 590124546 /nfs/dbraw/zinc/12/45/46/590124546.db2.gz DYRSDNAHGQMZEE-QNCMIEPLSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(\C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874703971 590124547 /nfs/dbraw/zinc/12/45/47/590124547.db2.gz DYRSDNAHGQMZEE-QNCMIEPLSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CC12CCC2)n1cc[nH+]c1 ZINC000874771312 590127249 /nfs/dbraw/zinc/12/72/49/590127249.db2.gz CVLFREPFFDMXQF-QWRGUYRKSA-N 1 2 233.315 1.893 20 0 BDADLO FC(F)(F)c1ccn(C[NH+]2CCCC2)n1 ZINC000125898403 590196321 /nfs/dbraw/zinc/19/63/21/590196321.db2.gz SCZMZEQWMCGPMK-UHFFFAOYSA-N 1 2 219.210 1.955 20 0 BDADLO NC(=O)[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876523006 590207883 /nfs/dbraw/zinc/20/78/83/590207883.db2.gz IGLXDHNBOLSFNL-ZCFIWIBFSA-N 1 2 245.735 1.104 20 0 BDADLO NC(=O)[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876523006 590207885 /nfs/dbraw/zinc/20/78/85/590207885.db2.gz IGLXDHNBOLSFNL-ZCFIWIBFSA-N 1 2 245.735 1.104 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876561922 590215494 /nfs/dbraw/zinc/21/54/94/590215494.db2.gz MYKBEORXWZBHEB-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1nc(Cl)cs1 ZINC000876561922 590215495 /nfs/dbraw/zinc/21/54/95/590215495.db2.gz MYKBEORXWZBHEB-SSDOTTSWSA-N 1 2 232.736 1.753 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1nc(Cl)cs1 ZINC000876882033 590252918 /nfs/dbraw/zinc/25/29/18/590252918.db2.gz XTOLUJBVJZCFFM-UHFFFAOYSA-N 1 2 247.751 1.411 20 0 BDADLO Cn1nccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000876928058 590258357 /nfs/dbraw/zinc/25/83/57/590258357.db2.gz SCWDPPILWLKNHR-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CCc1cc(C[NH2+]Cc2ncc(C)o2)[nH]n1 ZINC000877034107 590272035 /nfs/dbraw/zinc/27/20/35/590272035.db2.gz YNRXMPPYSRVSDO-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000877468063 590333977 /nfs/dbraw/zinc/33/39/77/590333977.db2.gz XVPOUSNWYANCKY-RQJHMYQMSA-N 1 2 232.736 1.752 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(Cl)cs1 ZINC000877468063 590333979 /nfs/dbraw/zinc/33/39/79/590333979.db2.gz XVPOUSNWYANCKY-RQJHMYQMSA-N 1 2 232.736 1.752 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000877469705 590334918 /nfs/dbraw/zinc/33/49/18/590334918.db2.gz SGUSDXBJNYJPAD-VWYCJHECSA-N 1 2 231.336 1.587 20 0 BDADLO CCCn1cc(C[NH+]2CC(C(C)C)C2)nn1 ZINC000877486388 590338872 /nfs/dbraw/zinc/33/88/72/590338872.db2.gz IUTKZBANVAJDJD-UHFFFAOYSA-N 1 2 222.336 1.776 20 0 BDADLO Cc1cc(C[NH2+]C(CF)CF)sn1 ZINC000877555868 590356305 /nfs/dbraw/zinc/35/63/05/590356305.db2.gz FFIQXVDTCMZYIN-UHFFFAOYSA-N 1 2 206.261 1.849 20 0 BDADLO Cc1nnsc1C[NH+]1CC2(C1)CCOC2 ZINC000877553844 590356961 /nfs/dbraw/zinc/35/69/61/590356961.db2.gz CEAIUAPJCSGWIY-UHFFFAOYSA-N 1 2 225.317 1.069 20 0 BDADLO COC(=O)c1csc(C[NH2+]C(CF)CF)c1 ZINC000877559641 590358357 /nfs/dbraw/zinc/35/83/57/590358357.db2.gz QMJAEXZAINLIOF-UHFFFAOYSA-N 1 2 249.282 1.932 20 0 BDADLO CC1(O)C[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000877581170 590365382 /nfs/dbraw/zinc/36/53/82/590365382.db2.gz OXOKADCYXDNKNR-UHFFFAOYSA-N 1 2 231.295 1.529 20 0 BDADLO CCCn1cc(C[NH+]2CC(C)(COC)C2)nn1 ZINC000877582463 590365669 /nfs/dbraw/zinc/36/56/69/590365669.db2.gz XFQYFLNHRXCMBP-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CC1([NH2+]Cc2ccnc(Cl)c2F)COC1 ZINC000877691528 590392514 /nfs/dbraw/zinc/39/25/14/590392514.db2.gz PUYAEUGBAPZGLI-UHFFFAOYSA-N 1 2 230.670 1.753 20 0 BDADLO CCn1ncc(C[NH+]2CCC(C)(F)CC2)n1 ZINC000877700315 590395087 /nfs/dbraw/zinc/39/50/87/590395087.db2.gz MRBQFWMKVDLNSF-UHFFFAOYSA-N 1 2 226.299 1.622 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877742386 590409763 /nfs/dbraw/zinc/40/97/63/590409763.db2.gz YWTGJHXQGOPBOZ-ZYHUDNBSSA-N 1 2 237.372 1.903 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877742386 590409764 /nfs/dbraw/zinc/40/97/64/590409764.db2.gz YWTGJHXQGOPBOZ-ZYHUDNBSSA-N 1 2 237.372 1.903 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878315224 590541720 /nfs/dbraw/zinc/54/17/20/590541720.db2.gz JKULQBDGGWGHIN-WOPDTQHZSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878315224 590541721 /nfs/dbraw/zinc/54/17/21/590541721.db2.gz JKULQBDGGWGHIN-WOPDTQHZSA-N 1 2 235.331 1.799 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CC[C@H](O)C(C)C)C1CC1 ZINC000878331235 590548359 /nfs/dbraw/zinc/54/83/59/590548359.db2.gz STCUBWMNLPFDGD-AAEUAGOBSA-N 1 2 243.347 1.325 20 0 BDADLO C=C/C=C/CC[NH2+][C@@](C)(COC)C(=O)OC ZINC000878333519 590548428 /nfs/dbraw/zinc/54/84/28/590548428.db2.gz WYPFVCOYJOOKFE-SYTKJHMZSA-N 1 2 227.304 1.286 20 0 BDADLO COCCCOCC[N@H+](C)Cc1nocc1C ZINC000878344380 590553189 /nfs/dbraw/zinc/55/31/89/590553189.db2.gz WDRKCKYDNBBJQR-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1nocc1C ZINC000878344380 590553190 /nfs/dbraw/zinc/55/31/90/590553190.db2.gz WDRKCKYDNBBJQR-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@@H](O)C(C)C)C(C)C ZINC000878415192 590562800 /nfs/dbraw/zinc/56/28/00/590562800.db2.gz RJGUCWSYFFOPOB-GHMZBOCLSA-N 1 2 231.336 1.181 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000127142328 590574780 /nfs/dbraw/zinc/57/47/80/590574780.db2.gz XJUMESWLNYZQFW-QMMMGPOBSA-N 1 2 220.276 1.811 20 0 BDADLO C=C/C=C/CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493887 590579936 /nfs/dbraw/zinc/57/99/36/590579936.db2.gz WZGGAORSXDNOST-HMDXOVGESA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C/CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000878493887 590579939 /nfs/dbraw/zinc/57/99/39/590579939.db2.gz WZGGAORSXDNOST-HMDXOVGESA-N 1 2 217.259 1.821 20 0 BDADLO Cc1conc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000878533971 590588073 /nfs/dbraw/zinc/58/80/73/590588073.db2.gz CJOBEEWMVOIMQO-GXFFZTMASA-N 1 2 236.315 1.982 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000878533971 590588074 /nfs/dbraw/zinc/58/80/74/590588074.db2.gz CJOBEEWMVOIMQO-GXFFZTMASA-N 1 2 236.315 1.982 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878536758 590588593 /nfs/dbraw/zinc/58/85/93/590588593.db2.gz BRBMRKQCCKZIJL-WISYIIOYSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878536758 590588594 /nfs/dbraw/zinc/58/85/94/590588594.db2.gz BRBMRKQCCKZIJL-WISYIIOYSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878536736 590588894 /nfs/dbraw/zinc/58/88/94/590588894.db2.gz BFTFROUGRPCTKC-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878536736 590588895 /nfs/dbraw/zinc/58/88/95/590588895.db2.gz BFTFROUGRPCTKC-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO O=c1cc(C[N@@H+]2CCO[C@H](C(F)F)C2)cc[nH]1 ZINC000878562329 590593158 /nfs/dbraw/zinc/59/31/58/590593158.db2.gz XUXPAHABQZCOPT-VIFPVBQESA-N 1 2 244.241 1.253 20 0 BDADLO O=c1cc(C[N@H+]2CCO[C@H](C(F)F)C2)cc[nH]1 ZINC000878562329 590593159 /nfs/dbraw/zinc/59/31/59/590593159.db2.gz XUXPAHABQZCOPT-VIFPVBQESA-N 1 2 244.241 1.253 20 0 BDADLO Clc1cccc2c1C[N@H+](CCn1cnnn1)C2 ZINC000878618819 590597208 /nfs/dbraw/zinc/59/72/08/590597208.db2.gz RKOCVXHMPWSKEY-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cccc2c1C[N@@H+](CCn1cnnn1)C2 ZINC000878618819 590597209 /nfs/dbraw/zinc/59/72/09/590597209.db2.gz RKOCVXHMPWSKEY-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO C[C@@]1([NH2+]CCCOC(F)(F)F)CCOC1=O ZINC000878632012 590597571 /nfs/dbraw/zinc/59/75/71/590597571.db2.gz LSLZMVNPLOSHNY-MRVPVSSYSA-N 1 2 241.209 1.208 20 0 BDADLO CC1(C)CO[C@H](C[NH2+][C@@]2(C)CCOC2=O)C1 ZINC000878632328 590598565 /nfs/dbraw/zinc/59/85/65/590598565.db2.gz PDSXMMLXEKBBFL-CABZTGNLSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000878670511 590606652 /nfs/dbraw/zinc/60/66/52/590606652.db2.gz XTZWFAAYVKFPFG-JTQLQIEISA-N 1 2 232.230 1.185 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000878670511 590606653 /nfs/dbraw/zinc/60/66/53/590606653.db2.gz XTZWFAAYVKFPFG-JTQLQIEISA-N 1 2 232.230 1.185 20 0 BDADLO Cc1conc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000878763300 590619996 /nfs/dbraw/zinc/61/99/96/590619996.db2.gz YVEZBHFINJWADS-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1conc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000878763300 590619997 /nfs/dbraw/zinc/61/99/97/590619997.db2.gz YVEZBHFINJWADS-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CCN1C[C@H](C[N@@H+]2CCC=C(Cl)C2)OC1=O ZINC000878790586 590622805 /nfs/dbraw/zinc/62/28/05/590622805.db2.gz PIHQUWIKTRMUGZ-JTQLQIEISA-N 1 2 244.722 1.656 20 0 BDADLO CCN1C[C@H](C[N@H+]2CCC=C(Cl)C2)OC1=O ZINC000878790586 590622806 /nfs/dbraw/zinc/62/28/06/590622806.db2.gz PIHQUWIKTRMUGZ-JTQLQIEISA-N 1 2 244.722 1.656 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793110 590624558 /nfs/dbraw/zinc/62/45/58/590624558.db2.gz FHHSQOZKNQXOSS-UHFFFAOYSA-N 1 2 230.739 1.731 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793110 590624559 /nfs/dbraw/zinc/62/45/59/590624559.db2.gz FHHSQOZKNQXOSS-UHFFFAOYSA-N 1 2 230.739 1.731 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878875931 590637852 /nfs/dbraw/zinc/63/78/52/590637852.db2.gz HEICYYSYOYNJFH-NSHDSACASA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878875931 590637854 /nfs/dbraw/zinc/63/78/54/590637854.db2.gz HEICYYSYOYNJFH-NSHDSACASA-N 1 2 233.275 1.438 20 0 BDADLO Cc1ccc(NC(=O)NC[C@H]2C[C@H](O)C2)c(C)[nH+]1 ZINC000878909946 590647581 /nfs/dbraw/zinc/64/75/81/590647581.db2.gz ZNTZKOIYQRCPER-XYPYZODXSA-N 1 2 249.314 1.591 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1scnc1Cl)CC2 ZINC000878949186 590658825 /nfs/dbraw/zinc/65/88/25/590658825.db2.gz JXRXUKPRILAMHQ-OIBJUYFYSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1scnc1Cl)CC2 ZINC000878949186 590658829 /nfs/dbraw/zinc/65/88/29/590658829.db2.gz JXRXUKPRILAMHQ-OIBJUYFYSA-N 1 2 244.747 1.753 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)CCO1 ZINC000878967871 590663503 /nfs/dbraw/zinc/66/35/03/590663503.db2.gz KNZYRKCAZYECQX-STQMWFEESA-N 1 2 237.299 1.025 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCO1 ZINC000878967871 590663505 /nfs/dbraw/zinc/66/35/05/590663505.db2.gz KNZYRKCAZYECQX-STQMWFEESA-N 1 2 237.299 1.025 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1c[nH]cc1C1CC1 ZINC000879057523 590689340 /nfs/dbraw/zinc/68/93/40/590689340.db2.gz OBRQPRRLTUTZRY-UHFFFAOYSA-N 1 2 244.298 1.854 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@@H](O)C(C)C ZINC000879188436 590710672 /nfs/dbraw/zinc/71/06/72/590710672.db2.gz LHLZIAAYXVSTMB-GFCCVEGCSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC[C@@H](O)C(C)C ZINC000879188436 590710673 /nfs/dbraw/zinc/71/06/73/590710673.db2.gz LHLZIAAYXVSTMB-GFCCVEGCSA-N 1 2 225.336 1.557 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cnon2)C1 ZINC000879324210 590743765 /nfs/dbraw/zinc/74/37/65/590743765.db2.gz FSJUAGMZONHICT-WCBMZHEXSA-N 1 2 211.265 1.069 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cnon2)C1 ZINC000879324210 590743769 /nfs/dbraw/zinc/74/37/69/590743769.db2.gz FSJUAGMZONHICT-WCBMZHEXSA-N 1 2 211.265 1.069 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2csnn2)C1 ZINC000879325895 590746733 /nfs/dbraw/zinc/74/67/33/590746733.db2.gz PALRVADSDRDTFD-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2csnn2)C1 ZINC000879325895 590746734 /nfs/dbraw/zinc/74/67/34/590746734.db2.gz PALRVADSDRDTFD-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO Cc1coc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000879442951 590771304 /nfs/dbraw/zinc/77/13/04/590771304.db2.gz ZXZGNAVGBYOENU-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1ccon1)CC1CC1 ZINC000879487421 590781562 /nfs/dbraw/zinc/78/15/62/590781562.db2.gz WMMSQQBATMBDTP-GFCCVEGCSA-N 1 2 249.314 1.151 20 0 BDADLO NC(=O)[C@@H](C1CC1)[N@H+](Cc1ccon1)CC1CC1 ZINC000879487421 590781563 /nfs/dbraw/zinc/78/15/63/590781563.db2.gz WMMSQQBATMBDTP-GFCCVEGCSA-N 1 2 249.314 1.151 20 0 BDADLO CN(Cc1[nH+]ccn1C)OCC(F)(F)F ZINC000879513119 590782462 /nfs/dbraw/zinc/78/24/62/590782462.db2.gz CYSPHIYPAWTVOZ-UHFFFAOYSA-N 1 2 223.198 1.346 20 0 BDADLO CC(C)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000879761173 590866330 /nfs/dbraw/zinc/86/63/30/590866330.db2.gz XNVNHSMJIDCMQF-UHFFFAOYSA-N 1 2 230.327 1.536 20 0 BDADLO CC(C)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000879761173 590866334 /nfs/dbraw/zinc/86/63/34/590866334.db2.gz XNVNHSMJIDCMQF-UHFFFAOYSA-N 1 2 230.327 1.536 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](O)C1CC1 ZINC000879981866 590901935 /nfs/dbraw/zinc/90/19/35/590901935.db2.gz VXTVNKLTLBPKJN-VXGBXAGGSA-N 1 2 241.331 1.079 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](O)C(C)C ZINC000879980556 590902618 /nfs/dbraw/zinc/90/26/18/590902618.db2.gz IVAPPSGYEQOVLH-RYUDHWBXSA-N 1 2 243.347 1.325 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880065964 590916369 /nfs/dbraw/zinc/91/63/69/590916369.db2.gz ZGIUTROYTRVUSP-DTWKUNHWSA-N 1 2 239.237 1.617 20 0 BDADLO CC(=O)C[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880065964 590916371 /nfs/dbraw/zinc/91/63/71/590916371.db2.gz ZGIUTROYTRVUSP-DTWKUNHWSA-N 1 2 239.237 1.617 20 0 BDADLO Cc1oncc1C[NH2+][C@H](C)c1nccnc1C ZINC000880107421 590926473 /nfs/dbraw/zinc/92/64/73/590926473.db2.gz BUHCHSZHPASPFA-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](C(C)(C)O)C2)no1 ZINC000880148082 590946014 /nfs/dbraw/zinc/94/60/14/590946014.db2.gz QGFRYSXIAMRPPT-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](C(C)(C)O)C2)no1 ZINC000880148082 590946018 /nfs/dbraw/zinc/94/60/18/590946018.db2.gz QGFRYSXIAMRPPT-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@H](CF)C2)n1 ZINC000880238372 590970467 /nfs/dbraw/zinc/97/04/67/590970467.db2.gz SJMPYFCPUMCAPZ-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@H](CF)C2)n1 ZINC000880238372 590970470 /nfs/dbraw/zinc/97/04/70/590970470.db2.gz SJMPYFCPUMCAPZ-SNVBAGLBSA-N 1 2 226.299 1.480 20 0 BDADLO CCc1noc(C[NH+]2CCC(F)CC2)n1 ZINC000880243937 590977010 /nfs/dbraw/zinc/97/70/10/590977010.db2.gz ZHUFADZRXULDSC-UHFFFAOYSA-N 1 2 213.256 1.566 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880292056 590985305 /nfs/dbraw/zinc/98/53/05/590985305.db2.gz TZMILCYWQUHRFK-SECBINFHSA-N 1 2 241.266 1.213 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](CF)C2)no1 ZINC000880292056 590985308 /nfs/dbraw/zinc/98/53/08/590985308.db2.gz TZMILCYWQUHRFK-SECBINFHSA-N 1 2 241.266 1.213 20 0 BDADLO Cc1cc(CNC(=O)COC2CC2)cc(C)[nH+]1 ZINC000880322674 591005842 /nfs/dbraw/zinc/00/58/42/591005842.db2.gz JKLRINAOLJVBIR-UHFFFAOYSA-N 1 2 234.299 1.494 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000880485235 591059262 /nfs/dbraw/zinc/05/92/62/591059262.db2.gz YDJQXIXSNWTHHO-LLVKDONJSA-N 1 2 246.266 1.667 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000880485235 591059265 /nfs/dbraw/zinc/05/92/65/591059265.db2.gz YDJQXIXSNWTHHO-LLVKDONJSA-N 1 2 246.266 1.667 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1noc2c1CCCC2 ZINC000880485009 591059360 /nfs/dbraw/zinc/05/93/60/591059360.db2.gz AJBYIKUXXCCZJU-JTQLQIEISA-N 1 2 234.299 1.286 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1noc2c1CCCC2 ZINC000880485009 591059365 /nfs/dbraw/zinc/05/93/65/591059365.db2.gz AJBYIKUXXCCZJU-JTQLQIEISA-N 1 2 234.299 1.286 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000880486271 591060480 /nfs/dbraw/zinc/06/04/80/591060480.db2.gz MXYXBYKBFXEKMW-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cccc(Cl)n1 ZINC000880486271 591060481 /nfs/dbraw/zinc/06/04/81/591060481.db2.gz MXYXBYKBFXEKMW-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2CC=C[C@@H]2CO)o1 ZINC000880485825 591060514 /nfs/dbraw/zinc/06/05/14/591060514.db2.gz LGUGDLKJSGKYKK-SNVBAGLBSA-N 1 2 236.315 1.705 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2CC=C[C@@H]2CO)o1 ZINC000880485825 591060517 /nfs/dbraw/zinc/06/05/17/591060517.db2.gz LGUGDLKJSGKYKK-SNVBAGLBSA-N 1 2 236.315 1.705 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cn2ccccc2n1 ZINC000880486228 591061428 /nfs/dbraw/zinc/06/14/28/591061428.db2.gz PSLZVACFWKGWLM-LBPRGKRZSA-N 1 2 229.283 1.067 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cn2ccccc2n1 ZINC000880486228 591061433 /nfs/dbraw/zinc/06/14/33/591061433.db2.gz PSLZVACFWKGWLM-LBPRGKRZSA-N 1 2 229.283 1.067 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000880486840 591061581 /nfs/dbraw/zinc/06/15/81/591061581.db2.gz VHNOPYWXOGLRCF-JTQLQIEISA-N 1 2 230.267 1.561 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1nc2ccccc2o1 ZINC000880486840 591061585 /nfs/dbraw/zinc/06/15/85/591061585.db2.gz VHNOPYWXOGLRCF-JTQLQIEISA-N 1 2 230.267 1.561 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000880487114 591064095 /nfs/dbraw/zinc/06/40/95/591064095.db2.gz WSJSQHMHGLXXEO-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000880487114 591064099 /nfs/dbraw/zinc/06/40/99/591064099.db2.gz WSJSQHMHGLXXEO-SNVBAGLBSA-N 1 2 224.691 1.468 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1nccs1 ZINC000880590662 591104091 /nfs/dbraw/zinc/10/40/91/591104091.db2.gz SQIXYJOFSJGRIQ-VIFPVBQESA-N 1 2 241.360 1.475 20 0 BDADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1nccs1 ZINC000880590662 591104092 /nfs/dbraw/zinc/10/40/92/591104092.db2.gz SQIXYJOFSJGRIQ-VIFPVBQESA-N 1 2 241.360 1.475 20 0 BDADLO FC(F)C(F)(F)C[N@@H+]1CCc2ncncc2C1 ZINC000880595302 591105089 /nfs/dbraw/zinc/10/50/89/591105089.db2.gz NQPRPAVRIAJLRE-UHFFFAOYSA-N 1 2 249.211 1.735 20 0 BDADLO FC(F)C(F)(F)C[N@H+]1CCc2ncncc2C1 ZINC000880595302 591105092 /nfs/dbraw/zinc/10/50/92/591105092.db2.gz NQPRPAVRIAJLRE-UHFFFAOYSA-N 1 2 249.211 1.735 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CCSCC ZINC000128911775 591176621 /nfs/dbraw/zinc/17/66/21/591176621.db2.gz CCINODVQAQJXSL-QMMMGPOBSA-N 1 2 205.323 1.281 20 0 BDADLO c1[nH]cc(Cn2cc([C@@H]3CCCCO3)nn2)[nH+]1 ZINC000881289597 591180891 /nfs/dbraw/zinc/18/08/91/591180891.db2.gz OTNPRMRWLIXNIE-NSHDSACASA-N 1 2 233.275 1.291 20 0 BDADLO O=C1CCC[C@H](c2cn(Cc3c[nH]c[nH+]3)nn2)C1 ZINC000881290004 591180894 /nfs/dbraw/zinc/18/08/94/591180894.db2.gz USEOBQGUNGSWSL-VIFPVBQESA-N 1 2 245.286 1.276 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000881495549 591218776 /nfs/dbraw/zinc/21/87/76/591218776.db2.gz LPBUHKHTXINQCC-NEPJUHHUSA-N 1 2 245.326 1.528 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C=CCC1 ZINC000881499137 591221544 /nfs/dbraw/zinc/22/15/44/591221544.db2.gz QYQWTXCMSHLGHV-WDEREUQCSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C=CCC1 ZINC000881499137 591221545 /nfs/dbraw/zinc/22/15/45/591221545.db2.gz QYQWTXCMSHLGHV-WDEREUQCSA-N 1 2 233.315 1.671 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2CCCO2)c1C ZINC000881733875 591268156 /nfs/dbraw/zinc/26/81/56/591268156.db2.gz BQBCCMZXVUDWMX-JTQLQIEISA-N 1 2 207.277 1.684 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)C2CC2)c1C ZINC000881914680 591278225 /nfs/dbraw/zinc/27/82/25/591278225.db2.gz AUAUSQRDVDAAQC-JTQLQIEISA-N 1 2 207.277 1.276 20 0 BDADLO Cc1[nH+]cnc(N2CCC(CCO)CC2)c1C ZINC000881951068 591283229 /nfs/dbraw/zinc/28/32/29/591283229.db2.gz SJTWLQDDPRQGJV-UHFFFAOYSA-N 1 2 235.331 1.692 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCc3n[nH]cc3C2)c1C ZINC000881983142 591285311 /nfs/dbraw/zinc/28/53/11/591285311.db2.gz STTZLXKUIMQJLM-NSHDSACASA-N 1 2 243.314 1.786 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCC[C@H](C(N)=O)C2)c1C ZINC000882000887 591286694 /nfs/dbraw/zinc/28/66/94/591286694.db2.gz HEJWYMIFZWVYIW-WDEREUQCSA-N 1 2 248.330 1.549 20 0 BDADLO OCC[C@@H](Nc1cc(CO)cc[nH+]1)C1CC1 ZINC000882009484 591287515 /nfs/dbraw/zinc/28/75/15/591287515.db2.gz WMTHTNJDFAVADD-LLVKDONJSA-N 1 2 222.288 1.147 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](C)CCO)c1C ZINC000882036319 591290264 /nfs/dbraw/zinc/29/02/64/591290264.db2.gz WOKZLJLFJSNYGS-MRVPVSSYSA-N 1 2 209.293 1.524 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@H](CC(N)=O)C2)c1C ZINC000882045615 591291843 /nfs/dbraw/zinc/29/18/43/591291843.db2.gz GMJJZEMVGXREBW-LLVKDONJSA-N 1 2 248.330 1.185 20 0 BDADLO Nc1[nH+]cccc1CSCCSCCO ZINC000882159840 591309245 /nfs/dbraw/zinc/30/92/45/591309245.db2.gz GQPBXDIFQJQOJU-UHFFFAOYSA-N 1 2 244.385 1.623 20 0 BDADLO Cc1[nH+]cnc(N[C@H](C)C[C@@H](C)O)c1C ZINC000882174583 591310974 /nfs/dbraw/zinc/31/09/74/591310974.db2.gz IKBRMEXZWBLLHP-HTQZYQBOSA-N 1 2 209.293 1.665 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](O)[C@H](C)C2)c1C ZINC000882209404 591315713 /nfs/dbraw/zinc/31/57/13/591315713.db2.gz BAFVQXZYJDRGCD-LDYMZIIASA-N 1 2 221.304 1.301 20 0 BDADLO COC(=O)C1(CNc2nc[nH+]c(C)c2C)CC1 ZINC000882206920 591315988 /nfs/dbraw/zinc/31/59/88/591315988.db2.gz ZIGKTLVXAGGTDM-UHFFFAOYSA-N 1 2 235.287 1.459 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]cc2F)[C@H]1C ZINC000882242908 591320625 /nfs/dbraw/zinc/32/06/25/591320625.db2.gz XYDVGZNAXQYBAF-IUCAKERBSA-N 1 2 238.262 1.609 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCOC[C@@H]2C)c1C ZINC000882266953 591323180 /nfs/dbraw/zinc/32/31/80/591323180.db2.gz VUJXUVRBZOLMQE-GZMMTYOYSA-N 1 2 221.304 1.930 20 0 BDADLO CN1CC[C@H](Cn2c[nH+]c(C(C)(C)C)c2)C1=O ZINC000882280694 591326036 /nfs/dbraw/zinc/32/60/36/591326036.db2.gz IJRULYZQIXURLY-SNVBAGLBSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1ncnc(N2CCc3[nH+]c[nH]c3C2)c1C ZINC000882382680 591340356 /nfs/dbraw/zinc/34/03/56/591340356.db2.gz WNTZNZUOKWAGAB-UHFFFAOYSA-N 1 2 229.287 1.379 20 0 BDADLO Cc1[nH+]cnc(NCC2=CCOCC2)c1C ZINC000882407804 591344163 /nfs/dbraw/zinc/34/41/63/591344163.db2.gz CTVNLXYRBRQPFX-UHFFFAOYSA-N 1 2 219.288 1.852 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]3OCC[C@@H]3C2)c1C ZINC000882514346 591380769 /nfs/dbraw/zinc/38/07/69/591380769.db2.gz CQUKJMIAGPTXCW-NEPJUHHUSA-N 1 2 233.315 1.709 20 0 BDADLO Cc1[nH+]cnc(NCCc2ccc(=O)[nH]c2)c1C ZINC000882537641 591387410 /nfs/dbraw/zinc/38/74/10/591387410.db2.gz NUDPJRKCGJUCLX-UHFFFAOYSA-N 1 2 244.298 1.849 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2C[C@@H](O)C2)c1C ZINC000882662154 591407540 /nfs/dbraw/zinc/40/75/40/591407540.db2.gz LFDMWOFQDQPKHR-AOOOYVTPSA-N 1 2 207.277 1.276 20 0 BDADLO CC(=O)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000882714688 591417922 /nfs/dbraw/zinc/41/79/22/591417922.db2.gz OMNOOSVCGFLNGD-UHFFFAOYSA-N 1 2 234.299 1.379 20 0 BDADLO CO[C@H]1C[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000882796556 591441961 /nfs/dbraw/zinc/44/19/61/591441961.db2.gz GXEVVYWQOCANRM-XYPYZODXSA-N 1 2 221.304 1.930 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000213156747 591450295 /nfs/dbraw/zinc/45/02/95/591450295.db2.gz OGZNQGDUUKHXDQ-CYBMUJFWSA-N 1 2 242.326 1.982 20 0 BDADLO OC[C@@H](CNc1cccc[nH+]1)Cc1ccoc1 ZINC000882866248 591457377 /nfs/dbraw/zinc/45/73/77/591457377.db2.gz IFSAFTNUEHQEJL-GFCCVEGCSA-N 1 2 232.283 1.938 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)no1 ZINC000882917811 591474838 /nfs/dbraw/zinc/47/48/38/591474838.db2.gz VLQNTRSNIYBDJI-UONOGXRCSA-N 1 2 244.294 1.731 20 0 BDADLO CO[C@@H]1COCC[C@H]1N(C)c1cccc[nH+]1 ZINC000882941057 591480218 /nfs/dbraw/zinc/48/02/18/591480218.db2.gz HQPJNCFQYORSJX-GHMZBOCLSA-N 1 2 222.288 1.322 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC[C@H](O)C(C)C ZINC000882960843 591484693 /nfs/dbraw/zinc/48/46/93/591484693.db2.gz XQQLXLGUZUTZDM-JTQLQIEISA-N 1 2 232.324 1.317 20 0 BDADLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)c1ncccn1 ZINC000882990244 591497906 /nfs/dbraw/zinc/49/79/06/591497906.db2.gz CLXQQRWEWQLZLT-DTWKUNHWSA-N 1 2 236.275 1.215 20 0 BDADLO Cc1ccc(Cn2cc3c(n2)CC[C@H](O)C3)c[nH+]1 ZINC000883008821 591509364 /nfs/dbraw/zinc/50/93/64/591509364.db2.gz OBKQNOXYFXIGLR-ZDUSSCGKSA-N 1 2 243.310 1.484 20 0 BDADLO C[C@H](O[NH+]=C(N)CO)c1ncc(C(C)(C)C)o1 ZINC000883012012 591512810 /nfs/dbraw/zinc/51/28/10/591512810.db2.gz QAVLAXYDRJRDSN-ZETCQYMHSA-N 1 2 241.291 1.524 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000883048934 591528472 /nfs/dbraw/zinc/52/84/72/591528472.db2.gz YQRFFDHWGMLQCL-SECBINFHSA-N 1 2 208.261 1.568 20 0 BDADLO C=C/C=C\CCNC(=O)NCCn1cc[nH+]c1 ZINC000883068552 591534308 /nfs/dbraw/zinc/53/43/08/591534308.db2.gz YZKHIXTUKBEWET-ARJAWSKDSA-N 1 2 234.303 1.315 20 0 BDADLO Cc1cc(C[NH2+]Cc2nc(C(C)C)c[nH]2)ncn1 ZINC000883077136 591536086 /nfs/dbraw/zinc/53/60/86/591536086.db2.gz ZQLYEVNGUCTSNF-UHFFFAOYSA-N 1 2 245.330 1.921 20 0 BDADLO CSc1ccc(C[NH2+]Cc2cnnn2C)o1 ZINC000883120615 591542579 /nfs/dbraw/zinc/54/25/79/591542579.db2.gz IUEUZQYLIUZURC-UHFFFAOYSA-N 1 2 238.316 1.420 20 0 BDADLO Nc1cnccc1C[NH2+]C(CF)CF ZINC000883132290 591546920 /nfs/dbraw/zinc/54/69/20/591546920.db2.gz MBFBMUZCGQYQEH-UHFFFAOYSA-N 1 2 201.220 1.061 20 0 BDADLO C[S@](=O)CCNc1nc[nH+]c2c1CCCC2 ZINC000131602144 591627651 /nfs/dbraw/zinc/62/76/51/591627651.db2.gz NONPTYQITKUKRT-MRXNPFEDSA-N 1 2 239.344 1.146 20 0 BDADLO CC[N@H+](CN1C(=O)SC(C)(C)C1=O)C1CC1 ZINC000132289980 591697803 /nfs/dbraw/zinc/69/78/03/591697803.db2.gz ZLFZEKKTPQWDKL-UHFFFAOYSA-N 1 2 242.344 1.902 20 0 BDADLO CC[N@@H+](CN1C(=O)SC(C)(C)C1=O)C1CC1 ZINC000132289980 591697806 /nfs/dbraw/zinc/69/78/06/591697806.db2.gz ZLFZEKKTPQWDKL-UHFFFAOYSA-N 1 2 242.344 1.902 20 0 BDADLO C[C@H](CCO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000133117003 591766356 /nfs/dbraw/zinc/76/63/56/591766356.db2.gz VDBRCORXSVCCNV-RKDXNWHRSA-N 1 2 217.309 1.077 20 0 BDADLO CCn1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)nn1 ZINC000884002629 591791463 /nfs/dbraw/zinc/79/14/63/591791463.db2.gz RIQQEEPPGYKTGJ-ZJUUUORDSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)nn1 ZINC000884002629 591791467 /nfs/dbraw/zinc/79/14/67/591791467.db2.gz RIQQEEPPGYKTGJ-ZJUUUORDSA-N 1 2 240.376 1.624 20 0 BDADLO CC(C)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800084746 591818223 /nfs/dbraw/zinc/81/82/23/591818223.db2.gz OUXFDBZBYNRLQG-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800084746 591818225 /nfs/dbraw/zinc/81/82/25/591818225.db2.gz OUXFDBZBYNRLQG-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)=C(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800178715 591832281 /nfs/dbraw/zinc/83/22/81/591832281.db2.gz BDJLKNXLEUMWJU-NSHDSACASA-N 1 2 241.331 1.607 20 0 BDADLO CC(C)=C(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800178715 591832282 /nfs/dbraw/zinc/83/22/82/591832282.db2.gz BDJLKNXLEUMWJU-NSHDSACASA-N 1 2 241.331 1.607 20 0 BDADLO CCn1cc(C[NH+]2CCC(C(F)F)CC2)nn1 ZINC000884324436 591905176 /nfs/dbraw/zinc/90/51/76/591905176.db2.gz QIGAABBINKGNOG-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO CCc1nc(N[C@H](CO)CC(F)F)cc[nH+]1 ZINC000884486110 591954050 /nfs/dbraw/zinc/95/40/50/591954050.db2.gz OIUXGWBQEXEURV-ZETCQYMHSA-N 1 2 231.246 1.467 20 0 BDADLO CCc1nc(N[C@@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000884486752 591954183 /nfs/dbraw/zinc/95/41/83/591954183.db2.gz DZZNWDSNKQOWJP-NXEZZACHSA-N 1 2 221.304 1.876 20 0 BDADLO CCc1nc(NCCC[C@H](C)O)cc[nH+]1 ZINC000884489940 591955117 /nfs/dbraw/zinc/95/51/17/591955117.db2.gz KNZDFNAHORRQFO-VIFPVBQESA-N 1 2 209.293 1.612 20 0 BDADLO CCc1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000884490153 591955228 /nfs/dbraw/zinc/95/52/28/591955228.db2.gz POGHMYRPDFDFDC-VIFPVBQESA-N 1 2 207.277 1.000 20 0 BDADLO CCc1nc(N2CC(c3nc(C)no3)C2)cc[nH+]1 ZINC000884487508 591955326 /nfs/dbraw/zinc/95/53/26/591955326.db2.gz WJSMOYQGRYSLQG-UHFFFAOYSA-N 1 2 245.286 1.334 20 0 BDADLO CCc1nc(N(C)CCCCCO)cc[nH+]1 ZINC000884490271 591955349 /nfs/dbraw/zinc/95/53/49/591955349.db2.gz SCQVUHOQCBPGMU-UHFFFAOYSA-N 1 2 223.320 1.638 20 0 BDADLO CCc1nc(NCc2cnn(CC)c2)cc[nH+]1 ZINC000884507679 591959846 /nfs/dbraw/zinc/95/98/46/591959846.db2.gz JTQLMMHNEHGXIT-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO CCc1nccc(NCc2c[nH+]cn2C)n1 ZINC000884511002 591960866 /nfs/dbraw/zinc/96/08/66/591960866.db2.gz VRZHNMYRIZFELQ-UHFFFAOYSA-N 1 2 217.276 1.385 20 0 BDADLO CCc1nc(N(CC)[C@H](C)CO)cc[nH+]1 ZINC000884513404 591962257 /nfs/dbraw/zinc/96/22/57/591962257.db2.gz HTSNIAVSGRPEJS-SECBINFHSA-N 1 2 209.293 1.246 20 0 BDADLO CCc1nc(N(C)[C@@H](CC)CO)cc[nH+]1 ZINC000884518085 591963855 /nfs/dbraw/zinc/96/38/55/591963855.db2.gz FHSTZTHEBUBODF-VIFPVBQESA-N 1 2 209.293 1.246 20 0 BDADLO CCc1nc(NCC[C@H](C)CCO)cc[nH+]1 ZINC000884518503 591964272 /nfs/dbraw/zinc/96/42/72/591964272.db2.gz RDIISPXAHIAOSK-JTQLQIEISA-N 1 2 223.320 1.860 20 0 BDADLO CCc1nc(N2CC[C@@H](OC)[C@H](C)C2)cc[nH+]1 ZINC000884520854 591965297 /nfs/dbraw/zinc/96/52/97/591965297.db2.gz HLJYRQWVXULVAG-GHMZBOCLSA-N 1 2 235.331 1.900 20 0 BDADLO CCc1nc(N2C[C@@H](O)CC[C@@H]2C)cc[nH+]1 ZINC000884533330 591969919 /nfs/dbraw/zinc/96/99/19/591969919.db2.gz FLCROKAYFRCGJP-UWVGGRQHSA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(NC[C@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000884535330 591970390 /nfs/dbraw/zinc/97/03/90/591970390.db2.gz AXDZWZAANUVEOH-JTQLQIEISA-N 1 2 248.330 1.319 20 0 BDADLO Cc1cnc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000884555333 591977485 /nfs/dbraw/zinc/97/74/85/591977485.db2.gz PBXPNYQSHBOSCH-ONGXEEELSA-N 1 2 239.319 1.504 20 0 BDADLO Cc1cnc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000884555333 591977487 /nfs/dbraw/zinc/97/74/87/591977487.db2.gz PBXPNYQSHBOSCH-ONGXEEELSA-N 1 2 239.319 1.504 20 0 BDADLO CCc1nc(N2CC[C@@]3(O)C[C@H]3C2)cc[nH+]1 ZINC000884557605 591978249 /nfs/dbraw/zinc/97/82/49/591978249.db2.gz UCSMVPLDLKNZET-JOYOIKCWSA-N 1 2 219.288 1.000 20 0 BDADLO CC[C@H](NC(=O)C=C(C)C)c1[nH]cc[nH+]1 ZINC000135388899 592010520 /nfs/dbraw/zinc/01/05/20/592010520.db2.gz XQINATNUGIUYPV-VIFPVBQESA-N 1 2 207.277 1.943 20 0 BDADLO COCCOC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000885248507 592060720 /nfs/dbraw/zinc/06/07/20/592060720.db2.gz AUYBFAJLPAZUHP-UHFFFAOYSA-N 1 2 238.287 1.571 20 0 BDADLO Cc1coc(C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000886003925 592127377 /nfs/dbraw/zinc/12/73/77/592127377.db2.gz NUGYJDLSCRLMEZ-UHFFFAOYSA-N 1 2 233.275 1.199 20 0 BDADLO CN1CC[N@H+](CCOC2CCCCC2)CC1=O ZINC000886019140 592132854 /nfs/dbraw/zinc/13/28/54/592132854.db2.gz MDQQUYXSBUFZFN-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CN1CC[N@@H+](CCOC2CCCCC2)CC1=O ZINC000886019140 592132855 /nfs/dbraw/zinc/13/28/55/592132855.db2.gz MDQQUYXSBUFZFN-UHFFFAOYSA-N 1 2 240.347 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/nfs/dbraw/zinc/21/42/28/592214228.db2.gz YYMZACVEIOIJMX-OCAPTIKFSA-N 1 2 209.318 1.552 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ccon1)c1cnn(C)c1 ZINC000886536747 592250539 /nfs/dbraw/zinc/25/05/39/592250539.db2.gz NYSXUUNRPOXGCY-LBPRGKRZSA-N 1 2 234.303 1.895 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1cocn1)c1cnn(C)c1 ZINC000886574026 592266070 /nfs/dbraw/zinc/26/60/70/592266070.db2.gz KEISAJKEICMHJH-GFCCVEGCSA-N 1 2 234.303 1.895 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@@H]1CC13CC3)C2 ZINC000886610049 592274681 /nfs/dbraw/zinc/27/46/81/592274681.db2.gz NSOGNBKQJCIENQ-JTQLQIEISA-N 1 2 245.326 1.588 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)/C=C/C1CC1)C2 ZINC000886619343 592277680 /nfs/dbraw/zinc/27/76/80/592277680.db2.gz ACCJWLVSWLDOHC-AATRIKPKSA-N 1 2 245.326 1.754 20 0 BDADLO CSCc1n[nH]c(C[NH2+][C@@H]2CCSC2)n1 ZINC000886751473 592316515 /nfs/dbraw/zinc/31/65/15/592316515.db2.gz RPHOWUIGEYPMBR-SSDOTTSWSA-N 1 2 244.389 1.263 20 0 BDADLO CSCc1nnc(C[NH2+][C@@H]2CCSC2)[nH]1 ZINC000886751473 592316521 /nfs/dbraw/zinc/31/65/21/592316521.db2.gz RPHOWUIGEYPMBR-SSDOTTSWSA-N 1 2 244.389 1.263 20 0 BDADLO CCOC[C@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753225 592317257 /nfs/dbraw/zinc/31/72/57/592317257.db2.gz FHHPDVMLUHRDRO-QMMMGPOBSA-N 1 2 244.364 1.182 20 0 BDADLO CCOC[C@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753225 592317259 /nfs/dbraw/zinc/31/72/59/592317259.db2.gz FHHPDVMLUHRDRO-QMMMGPOBSA-N 1 2 244.364 1.182 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819983 592344009 /nfs/dbraw/zinc/34/40/09/592344009.db2.gz ZNJMLWCNDKXIDR-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819983 592344012 /nfs/dbraw/zinc/34/40/12/592344012.db2.gz ZNJMLWCNDKXIDR-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO CC[C@H](C[N@@H+]1CCSC[C@@H]1C(=O)OC)OC ZINC000887077484 592435089 /nfs/dbraw/zinc/43/50/89/592435089.db2.gz NAUUKHIIYPLUBE-NXEZZACHSA-N 1 2 247.360 1.002 20 0 BDADLO CC[C@H](C[N@H+]1CCSC[C@@H]1C(=O)OC)OC ZINC000887077484 592435093 /nfs/dbraw/zinc/43/50/93/592435093.db2.gz NAUUKHIIYPLUBE-NXEZZACHSA-N 1 2 247.360 1.002 20 0 BDADLO CC/C=C/CC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887076063 592435865 /nfs/dbraw/zinc/43/58/65/592435865.db2.gz WDHSOVZOYBDNIE-SGUJLRQBSA-N 1 2 243.372 1.933 20 0 BDADLO CC/C=C/CC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887076063 592435866 /nfs/dbraw/zinc/43/58/66/592435866.db2.gz WDHSOVZOYBDNIE-SGUJLRQBSA-N 1 2 243.372 1.933 20 0 BDADLO COC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887099024 592441578 /nfs/dbraw/zinc/44/15/78/592441578.db2.gz NIRIIMYABSEJPY-UHFFFAOYSA-N 1 2 221.247 1.669 20 0 BDADLO COC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887099024 592441580 /nfs/dbraw/zinc/44/15/80/592441580.db2.gz NIRIIMYABSEJPY-UHFFFAOYSA-N 1 2 221.247 1.669 20 0 BDADLO CCOc1nnc(C[N@H+](C)CCCF)s1 ZINC000887137283 592450539 /nfs/dbraw/zinc/45/05/39/592450539.db2.gz AXPNFZLJUKBYJK-UHFFFAOYSA-N 1 2 233.312 1.728 20 0 BDADLO CCOc1nnc(C[N@@H+](C)CCCF)s1 ZINC000887137283 592450543 /nfs/dbraw/zinc/45/05/43/592450543.db2.gz 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212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ncccc1Cl ZINC000934010204 631587839 /nfs/dbraw/zinc/58/78/39/631587839.db2.gz AVRZVMGDADDLPD-QMMMGPOBSA-N 1 2 212.680 1.302 20 0 BDADLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H]1CO ZINC000934025309 631601278 /nfs/dbraw/zinc/60/12/78/631601278.db2.gz FJSRFRYMYWSUIH-CMPLNLGQSA-N 1 2 234.299 1.080 20 0 BDADLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H]1CO ZINC000934025309 631601282 /nfs/dbraw/zinc/60/12/82/631601282.db2.gz FJSRFRYMYWSUIH-CMPLNLGQSA-N 1 2 234.299 1.080 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934025936 631604815 /nfs/dbraw/zinc/60/48/15/631604815.db2.gz IALDMNGRQNSYJM-GFCCVEGCSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]2CO)c1 ZINC000934025936 631604820 /nfs/dbraw/zinc/60/48/20/631604820.db2.gz IALDMNGRQNSYJM-GFCCVEGCSA-N 1 2 234.299 1.000 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2CO)cc1C ZINC000934029259 631629991 /nfs/dbraw/zinc/62/99/91/631629991.db2.gz YCVFVPBQPQIXAV-CYBMUJFWSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]2CO)cc1C ZINC000934029259 631629993 /nfs/dbraw/zinc/62/99/93/631629993.db2.gz YCVFVPBQPQIXAV-CYBMUJFWSA-N 1 2 248.326 1.309 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC1(C)C ZINC000291221751 631651269 /nfs/dbraw/zinc/65/12/69/631651269.db2.gz GUORGODDVPHBHP-VIFPVBQESA-N 1 2 207.277 1.082 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ncc(Cl)n1C ZINC000934126314 631705195 /nfs/dbraw/zinc/70/51/95/631705195.db2.gz ORNLIJCVZOYIMR-RKDXNWHRSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ncc(Cl)n1C ZINC000934126314 631705204 /nfs/dbraw/zinc/70/52/04/631705204.db2.gz ORNLIJCVZOYIMR-RKDXNWHRSA-N 1 2 243.738 1.683 20 0 BDADLO Cl/C=C\C[N@@H+]1CCOC2(CCC2)C1 ZINC000255443231 631712682 /nfs/dbraw/zinc/71/26/82/631712682.db2.gz LJWSSSOFEBZXLP-DJWKRKHSSA-N 1 2 201.697 1.994 20 0 BDADLO Cl/C=C\C[N@H+]1CCOC2(CCC2)C1 ZINC000255443231 631712685 /nfs/dbraw/zinc/71/26/85/631712685.db2.gz LJWSSSOFEBZXLP-DJWKRKHSSA-N 1 2 201.697 1.994 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934396247 631820640 /nfs/dbraw/zinc/82/06/40/631820640.db2.gz PHNZTINUJVIBNJ-NXEZZACHSA-N 1 2 227.304 1.239 20 0 BDADLO C[C@H](CCCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934510803 631890148 /nfs/dbraw/zinc/89/01/48/631890148.db2.gz LNACBOUGSIHTGV-SECBINFHSA-N 1 2 247.298 1.454 20 0 BDADLO CC[C@H](C)CONC(=O)NCc1c[nH+]cn1C ZINC000291826492 631922993 /nfs/dbraw/zinc/92/29/93/631922993.db2.gz FNJSPZOHZBDKAI-VIFPVBQESA-N 1 2 240.307 1.197 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2ccns2)C[C@H]1F ZINC000934568888 631937238 /nfs/dbraw/zinc/93/72/38/631937238.db2.gz WNAWTUKETNQXIW-NXEZZACHSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2ccns2)C[C@H]1F ZINC000934568888 631937241 /nfs/dbraw/zinc/93/72/41/631937241.db2.gz WNAWTUKETNQXIW-NXEZZACHSA-N 1 2 230.308 1.090 20 0 BDADLO FCC[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934638009 631998314 /nfs/dbraw/zinc/99/83/14/631998314.db2.gz KJXHLROFCXLKHB-LBPRGKRZSA-N 1 2 231.311 1.473 20 0 BDADLO FCC[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934638009 631998322 /nfs/dbraw/zinc/99/83/22/631998322.db2.gz KJXHLROFCXLKHB-LBPRGKRZSA-N 1 2 231.311 1.473 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000157418918 632430303 /nfs/dbraw/zinc/43/03/03/632430303.db2.gz RDVMYSHOYCVXHA-VHSXEESVSA-N 1 2 239.290 1.908 20 0 BDADLO Nc1ccc(CCC(=O)OC/C=C\Cl)c[nH+]1 ZINC000309531957 632473947 /nfs/dbraw/zinc/47/39/47/632473947.db2.gz DDGFBIJFDXGSEA-BHQIHCQQSA-N 1 2 240.690 1.892 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000162003471 632485641 /nfs/dbraw/zinc/48/56/41/632485641.db2.gz ULSJWXJMJQKSAK-NSHDSACASA-N 1 2 231.336 1.182 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)C2CC2)n1 ZINC000309648383 632614660 /nfs/dbraw/zinc/61/46/60/632614660.db2.gz RKZNBSRINXQGBF-QMMMGPOBSA-N 1 2 209.293 1.768 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NOC/C=C/Cl ZINC000291928719 632651472 /nfs/dbraw/zinc/65/14/72/632651472.db2.gz UYSYSEGUFPUSRE-DAFODLJHSA-N 1 2 229.667 1.143 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NOC/C=C/Cl ZINC000291928719 632651477 /nfs/dbraw/zinc/65/14/77/632651477.db2.gz UYSYSEGUFPUSRE-DAFODLJHSA-N 1 2 229.667 1.143 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C=C(C1CC1)C1CC1 ZINC000291519037 632652036 /nfs/dbraw/zinc/65/20/36/632652036.db2.gz UWOUBZDXSPNZSE-UHFFFAOYSA-N 1 2 245.326 1.783 20 0 BDADLO CC[C@H]([NH2+]Cc1c[nH]cn1)[C@H](O)C(F)(F)F ZINC000310022048 632694694 /nfs/dbraw/zinc/69/46/94/632694694.db2.gz NVNYWXAMKAYKKL-YUMQZZPRSA-N 1 2 237.225 1.201 20 0 BDADLO CC[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H](C)O1 ZINC000892462225 632732517 /nfs/dbraw/zinc/73/25/17/632732517.db2.gz MUDKQICBKXVSCH-WDEREUQCSA-N 1 2 246.314 1.733 20 0 BDADLO C[C@H](O)C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892470331 632735883 /nfs/dbraw/zinc/73/58/83/632735883.db2.gz YVAVZUCZNXPSHX-JTQLQIEISA-N 1 2 246.314 1.327 20 0 BDADLO CC(C)CCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000179517331 632740341 /nfs/dbraw/zinc/74/03/41/632740341.db2.gz QGMLUKBKAFVWEY-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CCc1noc(C(C)(C)C[NH+]2CCOCC2)n1 ZINC000923776264 632744437 /nfs/dbraw/zinc/74/44/37/632744437.db2.gz FFWQWYBSKMQXEK-UHFFFAOYSA-N 1 2 239.319 1.242 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000878969556 635821911 /nfs/dbraw/zinc/82/19/11/635821911.db2.gz WLCLJXZOWKPNNK-RYUDHWBXSA-N 1 2 241.331 1.250 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000878969556 635821919 /nfs/dbraw/zinc/82/19/19/635821919.db2.gz WLCLJXZOWKPNNK-RYUDHWBXSA-N 1 2 241.331 1.250 20 0 BDADLO CC(C)=CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177670304 632858296 /nfs/dbraw/zinc/85/82/96/632858296.db2.gz JBCJMTCQZNYYKI-UHFFFAOYSA-N 1 2 229.283 1.917 20 0 BDADLO C[C@H]([NH2+]Cc1ccsc1)c1nnnn1C1CC1 ZINC000190520799 632992270 /nfs/dbraw/zinc/99/22/70/632992270.db2.gz YLHXJMYYSDZDFV-QMMMGPOBSA-N 1 2 249.343 1.920 20 0 BDADLO CO[C@@H](C[NH2+][C@H](C)c1ncc[nH]1)C(F)(F)F ZINC000309414897 633035149 /nfs/dbraw/zinc/03/51/49/633035149.db2.gz CKAMVLIVMWLHAM-RQJHMYQMSA-N 1 2 237.225 1.638 20 0 BDADLO C[C@@H](O)C[C@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000892644905 633044533 /nfs/dbraw/zinc/04/45/33/633044533.db2.gz IDVOOGHFAGLNPH-VHSXEESVSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@@H](O)C[C@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000892644905 633044539 /nfs/dbraw/zinc/04/45/39/633044539.db2.gz IDVOOGHFAGLNPH-VHSXEESVSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)cn2)CC[C@H]1O ZINC000299971833 635894072 /nfs/dbraw/zinc/89/40/72/635894072.db2.gz YSTZYLBCEYAYEC-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)cn2)CC[C@H]1O ZINC000299971833 635894078 /nfs/dbraw/zinc/89/40/78/635894078.db2.gz YSTZYLBCEYAYEC-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C1CC(OC(C)C)C1 ZINC000309445376 633079896 /nfs/dbraw/zinc/07/98/96/633079896.db2.gz LFCUOFOORWBSRK-UHFFFAOYSA-N 1 2 223.320 1.764 20 0 BDADLO C[C@H](c1nc(CC2CCOCC2)no1)[NH+](C)C ZINC000923882384 633096581 /nfs/dbraw/zinc/09/65/81/633096581.db2.gz SRSQBLDYDBEPEZ-SECBINFHSA-N 1 2 239.319 1.661 20 0 BDADLO Cc1cnc(CNc2cc(N(C)C)nc[nH+]2)o1 ZINC000892750461 633218126 /nfs/dbraw/zinc/21/81/26/633218126.db2.gz VALIZFMWQWNAQL-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1cnc(CNc2cc(N(C)C)[nH+]cn2)o1 ZINC000892750461 633218130 /nfs/dbraw/zinc/21/81/30/633218130.db2.gz VALIZFMWQWNAQL-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO CC(C)CCCC[NH+]1CC2(C1)CNC(=O)O2 ZINC000894982190 636011832 /nfs/dbraw/zinc/01/18/32/636011832.db2.gz GGZQUEXBNFVWOY-UHFFFAOYSA-N 1 2 226.320 1.607 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(SC[C@@H](C)O)c12 ZINC000895125691 636071509 /nfs/dbraw/zinc/07/15/09/636071509.db2.gz XILBNDNESPEEPJ-SSDOTTSWSA-N 1 2 237.328 1.993 20 0 BDADLO Cc1oc(C=O)cc1C(=O)OCCn1cc[nH+]c1 ZINC000909519560 636138635 /nfs/dbraw/zinc/13/86/35/636138635.db2.gz ZXNIYFDJLWIQNP-UHFFFAOYSA-N 1 2 248.238 1.454 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(C3(C)CC3)no2)O1 ZINC000924086791 633765526 /nfs/dbraw/zinc/76/55/26/633765526.db2.gz BBHLYRCPFNJFRI-DTWKUNHWSA-N 1 2 237.303 1.513 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(C3(C)CC3)no2)O1 ZINC000924086791 633765534 /nfs/dbraw/zinc/76/55/34/633765534.db2.gz BBHLYRCPFNJFRI-DTWKUNHWSA-N 1 2 237.303 1.513 20 0 BDADLO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000309832976 633816506 /nfs/dbraw/zinc/81/65/06/633816506.db2.gz ZCEYNGBIOJITLC-QMMMGPOBSA-N 1 2 219.292 1.302 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000308841737 633823147 /nfs/dbraw/zinc/82/31/47/633823147.db2.gz NORBJZSQRUQEBT-VXNVDRBHSA-N 1 2 206.245 1.363 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOC1CCC1 ZINC000309465501 633923976 /nfs/dbraw/zinc/92/39/76/633923976.db2.gz PUXAMUPBWSVDIW-VIFPVBQESA-N 1 2 223.320 1.938 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1C ZINC000895469810 636148578 /nfs/dbraw/zinc/14/85/78/636148578.db2.gz CEHFCMOSGUCCMD-PHIMTYICSA-N 1 2 221.304 1.105 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1C ZINC000895469810 636148585 /nfs/dbraw/zinc/14/85/85/636148585.db2.gz CEHFCMOSGUCCMD-PHIMTYICSA-N 1 2 221.304 1.105 20 0 BDADLO C[C@H](c1nc(-c2cc[nH]c(=O)c2)no1)[NH+](C)C ZINC000924124386 634092896 /nfs/dbraw/zinc/09/28/96/634092896.db2.gz XGMDWSGVOISDFC-SSDOTTSWSA-N 1 2 234.259 1.460 20 0 BDADLO CCOCC[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187075581 634094990 /nfs/dbraw/zinc/09/49/90/634094990.db2.gz AIYIRZXWKTXZAQ-INIZCTEOSA-N 1 2 241.356 1.984 20 0 BDADLO CC1(C)C[C@@](C)([NH2+]CCc2cccnc2)C(=O)O1 ZINC000930874901 634148656 /nfs/dbraw/zinc/14/86/56/634148656.db2.gz VFTNCRLBVSNFLR-CQSZACIVSA-N 1 2 248.326 1.698 20 0 BDADLO CNc1cc(NC[C@@](C)(OC)C2CC2)[nH+]cn1 ZINC000310529625 634155697 /nfs/dbraw/zinc/15/56/97/634155697.db2.gz NTHUNETVUVRKIT-GFCCVEGCSA-N 1 2 236.319 1.745 20 0 BDADLO COc1ccnc([C@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000925661739 634227772 /nfs/dbraw/zinc/22/77/72/634227772.db2.gz VXQAGZBRZSSFNK-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO CC[C@@H](O)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000162905989 635176644 /nfs/dbraw/zinc/17/66/44/635176644.db2.gz HEYVYNFLDOTURA-LLVKDONJSA-N 1 2 235.291 1.008 20 0 BDADLO O=C(C1CC=CC1)N1CCC[N@@H+](CCF)CC1 ZINC000980879158 635293407 /nfs/dbraw/zinc/29/34/07/635293407.db2.gz GUZDVXLAMWEQBJ-UHFFFAOYSA-N 1 2 240.322 1.456 20 0 BDADLO O=C(C1CC=CC1)N1CCC[N@H+](CCF)CC1 ZINC000980879158 635293414 /nfs/dbraw/zinc/29/34/14/635293414.db2.gz GUZDVXLAMWEQBJ-UHFFFAOYSA-N 1 2 240.322 1.456 20 0 BDADLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029185712 636007712 /nfs/dbraw/zinc/00/77/12/636007712.db2.gz JQRHYQRLPIWUSG-TXEJJXNPSA-N 1 2 240.322 1.431 20 0 BDADLO O=C(CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029185712 636007709 /nfs/dbraw/zinc/00/77/09/636007709.db2.gz JQRHYQRLPIWUSG-TXEJJXNPSA-N 1 2 240.322 1.431 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000896908148 636251368 /nfs/dbraw/zinc/25/13/68/636251368.db2.gz WXPRNBAQDRSYGM-UHFFFAOYSA-N 1 2 249.270 1.558 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)CNc2cccc[nH+]2)O1 ZINC000909581368 636285235 /nfs/dbraw/zinc/28/52/35/636285235.db2.gz QMTYJGKIRHHCAO-MNOVXSKESA-N 1 2 249.314 1.177 20 0 BDADLO Cc1cc(C[NH+]2CCN(CCO)CC2)c(C)o1 ZINC000305738546 636331381 /nfs/dbraw/zinc/33/13/81/636331381.db2.gz WNFVWSVEVSNTNT-UHFFFAOYSA-N 1 2 238.331 1.006 20 0 BDADLO CCC[N@H+](C)Cc1nc([C@@]2(C)CCCO2)no1 ZINC000350762050 636439507 /nfs/dbraw/zinc/43/95/07/636439507.db2.gz UDRZJVCCTJNVMG-GFCCVEGCSA-N 1 2 239.319 1.937 20 0 BDADLO CCC[N@@H+](C)Cc1nc([C@@]2(C)CCCO2)no1 ZINC000350762050 636439516 /nfs/dbraw/zinc/43/95/16/636439516.db2.gz UDRZJVCCTJNVMG-GFCCVEGCSA-N 1 2 239.319 1.937 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)Cn1cc[nH+]c1 ZINC000928926988 636521106 /nfs/dbraw/zinc/52/11/06/636521106.db2.gz GZVSRMMITFQTBP-ONEGZZNKSA-N 1 2 227.695 1.530 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)[C@H]1C=CCCC1 ZINC000179115807 636641154 /nfs/dbraw/zinc/64/11/54/636641154.db2.gz RUUHLSJVGKXTFV-NSHDSACASA-N 1 2 231.361 1.462 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)[C@H]1C=CCCC1 ZINC000179115807 636641157 /nfs/dbraw/zinc/64/11/57/636641157.db2.gz RUUHLSJVGKXTFV-NSHDSACASA-N 1 2 231.361 1.462 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000929108916 636804881 /nfs/dbraw/zinc/80/48/81/636804881.db2.gz GZHWSFDTCOLZFQ-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CCc1onc(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000929108916 636804886 /nfs/dbraw/zinc/80/48/86/636804886.db2.gz GZHWSFDTCOLZFQ-VIFPVBQESA-N 1 2 224.304 1.766 20 0 BDADLO CC[C@@](C)(CNc1cc(NC)nc[nH+]1)OC ZINC000323134653 636903161 /nfs/dbraw/zinc/90/31/61/636903161.db2.gz HBFCDSDHQMLMSI-NSHDSACASA-N 1 2 224.308 1.745 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923889612 636998682 /nfs/dbraw/zinc/99/86/82/636998682.db2.gz UJXZKNZFBQQEDY-QWRGUYRKSA-N 1 2 241.331 1.770 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923889612 636998687 /nfs/dbraw/zinc/99/86/87/636998687.db2.gz UJXZKNZFBQQEDY-QWRGUYRKSA-N 1 2 241.331 1.770 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(C3CC3)no2)O1 ZINC000923802154 637020613 /nfs/dbraw/zinc/02/06/13/637020613.db2.gz VHMWYTMOTGSLHV-IONNQARKSA-N 1 2 223.276 1.339 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(C3CC3)no2)O1 ZINC000923802154 637020619 /nfs/dbraw/zinc/02/06/19/637020619.db2.gz VHMWYTMOTGSLHV-IONNQARKSA-N 1 2 223.276 1.339 20 0 BDADLO CC[C@H](C)c1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923808443 637032886 /nfs/dbraw/zinc/03/28/86/637032886.db2.gz MWBZTNYVEJNUKL-IVZWLZJFSA-N 1 2 239.319 1.975 20 0 BDADLO CC[C@H](C)c1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923808443 637032887 /nfs/dbraw/zinc/03/28/87/637032887.db2.gz MWBZTNYVEJNUKL-IVZWLZJFSA-N 1 2 239.319 1.975 20 0 BDADLO Cc1cocc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898911076 637064285 /nfs/dbraw/zinc/06/42/85/637064285.db2.gz IPVPRMJWZIUQCU-UHFFFAOYSA-N 1 2 247.298 1.950 20 0 BDADLO Cn1c[nH+]cc1CCS(=O)(=O)CC(C)(C)C ZINC000899497067 637086863 /nfs/dbraw/zinc/08/68/63/637086863.db2.gz OXHGSEIWIIFJCN-UHFFFAOYSA-N 1 2 244.360 1.424 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCC(F)(F)F ZINC000900903330 637196708 /nfs/dbraw/zinc/19/67/08/637196708.db2.gz ALRUVQYTIKRKCR-UHFFFAOYSA-N 1 2 235.209 1.411 20 0 BDADLO C/C(=C(\F)C(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000900918314 637204962 /nfs/dbraw/zinc/20/49/62/637204962.db2.gz GQSIQFVVCUINMT-YRNVUSSQSA-N 1 2 237.278 1.988 20 0 BDADLO Cc1c(NC(=O)CNc2cccc[nH+]2)cnn1C ZINC000901024971 637225475 /nfs/dbraw/zinc/22/54/75/637225475.db2.gz YDBCMRFPZGYHGJ-UHFFFAOYSA-N 1 2 245.286 1.174 20 0 BDADLO CCc1n[nH]cc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900999250 637226215 /nfs/dbraw/zinc/22/62/15/637226215.db2.gz ZUWZRNZBCWTDFW-UHFFFAOYSA-N 1 2 247.302 1.242 20 0 BDADLO CC[NH2+]Cc1noc(CCC2(C)CC2)n1 ZINC000904498991 637432655 /nfs/dbraw/zinc/43/26/55/637432655.db2.gz ACTYJOFRVMPKDN-UHFFFAOYSA-N 1 2 209.293 1.912 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)C/C=C\Cl ZINC000905186902 637668787 /nfs/dbraw/zinc/66/87/87/637668787.db2.gz GZLAKOIVDUVGRL-XQJDBVBESA-N 1 2 218.709 1.421 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H]1C=CCC1)C(=O)OC ZINC000905780906 637911498 /nfs/dbraw/zinc/91/14/98/637911498.db2.gz UASGHWCEEXQFNX-HBNTYKKESA-N 1 2 211.305 1.882 20 0 BDADLO CCOCC[N@H+](C)Cc1cn(C2CC2)nn1 ZINC000906281517 638126813 /nfs/dbraw/zinc/12/68/13/638126813.db2.gz ABXUDWICMLVRPJ-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO CCOCC[N@@H+](C)Cc1cn(C2CC2)nn1 ZINC000906281517 638126819 /nfs/dbraw/zinc/12/68/19/638126819.db2.gz ABXUDWICMLVRPJ-UHFFFAOYSA-N 1 2 224.308 1.081 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2cocn2)c(C)[nH+]1 ZINC000906619309 638221872 /nfs/dbraw/zinc/22/18/72/638221872.db2.gz MUZLPJPBRCPYOJ-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000906660312 638233334 /nfs/dbraw/zinc/23/33/34/638233334.db2.gz ICUDZIPQJIIPJY-CMPLNLGQSA-N 1 2 234.299 1.566 20 0 BDADLO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](O)C2)c(C)[nH+]1 ZINC000907193359 638322293 /nfs/dbraw/zinc/32/22/93/638322293.db2.gz XYRKZFQLMZXETR-BXKDBHETSA-N 1 2 248.326 1.460 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000907404630 638372788 /nfs/dbraw/zinc/37/27/88/638372788.db2.gz MLTJFOCWXFADKL-PWSUYJOCSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CNc1cccc[nH+]1)NC[C@@H]1CCC=CO1 ZINC000907595874 638416947 /nfs/dbraw/zinc/41/69/47/638416947.db2.gz SPJIGVKTRCXKGW-NSHDSACASA-N 1 2 247.298 1.302 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000907733485 638460064 /nfs/dbraw/zinc/46/00/64/638460064.db2.gz IMUZELUPFZKVGK-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]1c1cccnc1 ZINC000907941779 638518565 /nfs/dbraw/zinc/51/85/65/638518565.db2.gz QDTWTBJYBFZXLZ-NEPJUHHUSA-N 1 2 242.282 1.020 20 0 BDADLO CC(C)(CNC(=O)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000908036187 638557683 /nfs/dbraw/zinc/55/76/83/638557683.db2.gz PDHPQASOMWNTLG-UHFFFAOYSA-N 1 2 249.236 1.657 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H](C1CC1)C(F)(F)F ZINC000908234873 638622365 /nfs/dbraw/zinc/62/23/65/638622365.db2.gz XOCSKQHOQSUFFX-SECBINFHSA-N 1 2 247.220 1.409 20 0 BDADLO C/C(=C(/F)C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000908257721 638626690 /nfs/dbraw/zinc/62/66/90/638626690.db2.gz GERVCTAIIDJRJW-FLIBITNWSA-N 1 2 237.278 1.690 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908303113 638648973 /nfs/dbraw/zinc/64/89/73/638648973.db2.gz GUVGIJHHBKTDQS-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO CC(C)[C@@H]1N(C(=O)Cc2c[nH+]c[nH]2)CC12CCC2 ZINC000908344338 638658426 /nfs/dbraw/zinc/65/84/26/638658426.db2.gz NGVDUNOYDXLGIH-ZDUSSCGKSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000908431187 638709406 /nfs/dbraw/zinc/70/94/06/638709406.db2.gz ALIDGIQIVQXFDD-VHSXEESVSA-N 1 2 219.288 1.360 20 0 BDADLO Cc1cc(C)c(C(=O)NC2CC(=O)C2)c(C)[nH+]1 ZINC000908464411 638724776 /nfs/dbraw/zinc/72/47/76/638724776.db2.gz REZSWBQSWAHYHV-UHFFFAOYSA-N 1 2 232.283 1.468 20 0 BDADLO C/C(=C(/F)C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000908761845 639063596 /nfs/dbraw/zinc/06/35/96/639063596.db2.gz YLLONHFJJNEKSN-UVIKPUKZSA-N 1 2 249.289 1.578 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC2CC(C)C2)C1 ZINC000909033956 639121227 /nfs/dbraw/zinc/12/12/27/639121227.db2.gz PNAUBBPFYBSEHT-HTAVTVPLSA-N 1 2 241.331 1.296 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCC2CC(C)C2)C1 ZINC000909033956 639121232 /nfs/dbraw/zinc/12/12/32/639121232.db2.gz PNAUBBPFYBSEHT-HTAVTVPLSA-N 1 2 241.331 1.296 20 0 BDADLO CC(C)[C@@H](C(=O)OCC(=O)[C@H]1C[C@H]1C)[NH+](C)C ZINC000909299037 639190591 /nfs/dbraw/zinc/19/05/91/639190591.db2.gz URXJYFGZTFZYMK-SCVCMEIPSA-N 1 2 241.331 1.341 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000909922739 639288929 /nfs/dbraw/zinc/28/89/29/639288929.db2.gz KRVYEBMVXLHTFV-GRYCIOLGSA-N 1 2 245.326 1.798 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000910407263 639436647 /nfs/dbraw/zinc/43/66/47/639436647.db2.gz XXUJDPHHOANMSA-AAEUAGOBSA-N 1 2 247.342 1.895 20 0 BDADLO CCN(Cc1occc1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000910468578 639462295 /nfs/dbraw/zinc/46/22/95/639462295.db2.gz FWADXGDSFGBCIY-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930242512 639649797 /nfs/dbraw/zinc/64/97/97/639649797.db2.gz XWSJRBWNHULKEC-WISYIIOYSA-N 1 2 243.347 1.683 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930242512 639649805 /nfs/dbraw/zinc/64/98/05/639649805.db2.gz XWSJRBWNHULKEC-WISYIIOYSA-N 1 2 243.347 1.683 20 0 BDADLO COC[C@@H](C[N@H+](C)Cc1noc(C)n1)C(C)C ZINC000930240894 639649882 /nfs/dbraw/zinc/64/98/82/639649882.db2.gz COSDVGKJWVHANW-LLVKDONJSA-N 1 2 241.335 1.728 20 0 BDADLO COC[C@@H](C[N@@H+](C)Cc1noc(C)n1)C(C)C ZINC000930240894 639649884 /nfs/dbraw/zinc/64/98/84/639649884.db2.gz COSDVGKJWVHANW-LLVKDONJSA-N 1 2 241.335 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000930270273 639673265 /nfs/dbraw/zinc/67/32/65/639673265.db2.gz NBUGKGIVAORWER-BXUZGUMPSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000930270273 639673269 /nfs/dbraw/zinc/67/32/69/639673269.db2.gz NBUGKGIVAORWER-BXUZGUMPSA-N 1 2 249.358 1.728 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1CC(C)C1 ZINC000930292236 639684471 /nfs/dbraw/zinc/68/44/71/639684471.db2.gz QOWYFNSXEOJHPC-TVUZUIDESA-N 1 2 229.295 1.618 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1CC(C)C1 ZINC000930292236 639684478 /nfs/dbraw/zinc/68/44/78/639684478.db2.gz QOWYFNSXEOJHPC-TVUZUIDESA-N 1 2 229.295 1.618 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)s1 ZINC000930314020 639698386 /nfs/dbraw/zinc/69/83/86/639698386.db2.gz IHIJTVJDYDYRAK-SNVBAGLBSA-N 1 2 246.339 1.923 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H](c3ccccn3)C2)s1 ZINC000930314020 639698391 /nfs/dbraw/zinc/69/83/91/639698391.db2.gz IHIJTVJDYDYRAK-SNVBAGLBSA-N 1 2 246.339 1.923 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000911724622 639750160 /nfs/dbraw/zinc/75/01/60/639750160.db2.gz VNPWATXUISHUKV-UHFFFAOYSA-N 1 2 239.395 1.678 20 0 BDADLO C[C@@]1(F)CCC[N@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000930596935 639816072 /nfs/dbraw/zinc/81/60/72/639816072.db2.gz YZOVFWLYKWRFOX-WDEREUQCSA-N 1 2 249.351 1.388 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000930596935 639816073 /nfs/dbraw/zinc/81/60/73/639816073.db2.gz YZOVFWLYKWRFOX-WDEREUQCSA-N 1 2 249.351 1.388 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CC[C@@H](F)C1 ZINC000930602838 639817216 /nfs/dbraw/zinc/81/72/16/639817216.db2.gz DZDJHTPBAMZFFX-BZJXQOFCSA-N 1 2 201.241 1.150 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CC[C@@H](F)C1 ZINC000930602838 639817217 /nfs/dbraw/zinc/81/72/17/639817217.db2.gz DZDJHTPBAMZFFX-BZJXQOFCSA-N 1 2 201.241 1.150 20 0 BDADLO C[N@H+](Cc1nncs1)[C@H](CO)CC(C)(C)C ZINC000930648898 639842776 /nfs/dbraw/zinc/84/27/76/639842776.db2.gz BWUFSGAIGJLAPV-VIFPVBQESA-N 1 2 243.376 1.767 20 0 BDADLO C[N@@H+](Cc1nncs1)[C@H](CO)CC(C)(C)C ZINC000930648898 639842780 /nfs/dbraw/zinc/84/27/80/639842780.db2.gz BWUFSGAIGJLAPV-VIFPVBQESA-N 1 2 243.376 1.767 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H](c3cccnc3)C2)s1 ZINC000930815481 639916668 /nfs/dbraw/zinc/91/66/68/639916668.db2.gz UJJWDMCIWOKGTJ-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H](c3cccnc3)C2)s1 ZINC000930815481 639916677 /nfs/dbraw/zinc/91/66/77/639916677.db2.gz UJJWDMCIWOKGTJ-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)n1 ZINC000930830238 639930005 /nfs/dbraw/zinc/93/00/05/639930005.db2.gz GURAFUMNBMTTIZ-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)n1 ZINC000930830238 639930006 /nfs/dbraw/zinc/93/00/06/639930006.db2.gz GURAFUMNBMTTIZ-SDDRHHMPSA-N 1 2 247.342 1.487 20 0 BDADLO CC(=O)N1CCC([N@@H+]2CCCC(F)(F)C2)CC1 ZINC000930848902 639945875 /nfs/dbraw/zinc/94/58/75/639945875.db2.gz NHFQQISZCXYKFI-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO CC(=O)N1CCC([N@H+]2CCCC(F)(F)C2)CC1 ZINC000930848902 639945886 /nfs/dbraw/zinc/94/58/86/639945886.db2.gz NHFQQISZCXYKFI-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO OC[C@H]1CCCCC[N@@H+]1Cc1nncs1 ZINC000930866202 639960296 /nfs/dbraw/zinc/96/02/96/639960296.db2.gz BZBXMXWWFOQXOQ-SECBINFHSA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@H]1CCCCC[N@H+]1Cc1nncs1 ZINC000930866202 639960299 /nfs/dbraw/zinc/96/02/99/639960299.db2.gz BZBXMXWWFOQXOQ-SECBINFHSA-N 1 2 227.333 1.275 20 0 BDADLO CC(C)(C)[C@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930875577 639965469 /nfs/dbraw/zinc/96/54/69/639965469.db2.gz XYADEORFTIVHCM-NOZJJQNGSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NN1CCCC[C@H]1C ZINC000912144763 639970480 /nfs/dbraw/zinc/97/04/80/639970480.db2.gz JIGXUXVXMJVTKI-SECBINFHSA-N 1 2 236.319 1.166 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2ccns2)n1 ZINC000930890917 639976100 /nfs/dbraw/zinc/97/61/00/639976100.db2.gz DEFPQSASDZTMAJ-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2ccns2)n1 ZINC000930890917 639976104 /nfs/dbraw/zinc/97/61/04/639976104.db2.gz DEFPQSASDZTMAJ-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000930967253 640002393 /nfs/dbraw/zinc/00/23/93/640002393.db2.gz GGXAMQRKRDCALT-ONNFQVAWSA-N 1 2 239.315 1.217 20 0 BDADLO COC/C(C)=C/C[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000930967253 640002398 /nfs/dbraw/zinc/00/23/98/640002398.db2.gz GGXAMQRKRDCALT-ONNFQVAWSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccn1 ZINC000912281618 640015213 /nfs/dbraw/zinc/01/52/13/640015213.db2.gz JNFVNBOIQSAGAV-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO CC[C@@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912467177 640071868 /nfs/dbraw/zinc/07/18/68/640071868.db2.gz UWNKKSJOEBKWRH-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO CCC[C@H](C)CCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931234039 640108103 /nfs/dbraw/zinc/10/81/03/640108103.db2.gz PVSRAXLJBKMBLV-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CCC[C@H](C)CCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931234039 640108106 /nfs/dbraw/zinc/10/81/06/640108106.db2.gz PVSRAXLJBKMBLV-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO FC(F)[C@@H]1CCN1CCn1cc[nH+]c1 ZINC000931424778 640178591 /nfs/dbraw/zinc/17/85/91/640178591.db2.gz LENFHLPAFLCGSM-QMMMGPOBSA-N 1 2 201.220 1.223 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000931424515 640192897 /nfs/dbraw/zinc/19/28/97/640192897.db2.gz HWHHBIQMXUEBMR-ATZCPNFKSA-N 1 2 217.259 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000931424515 640192899 /nfs/dbraw/zinc/19/28/99/640192899.db2.gz HWHHBIQMXUEBMR-ATZCPNFKSA-N 1 2 217.259 1.752 20 0 BDADLO CCc1nnc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)[nH]1 ZINC000931460126 640217510 /nfs/dbraw/zinc/21/75/10/640217510.db2.gz DQKXJFKHDCAORZ-MRVPVSSYSA-N 1 2 246.318 1.210 20 0 BDADLO CCc1nnc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)[nH]1 ZINC000931460126 640217517 /nfs/dbraw/zinc/21/75/17/640217517.db2.gz DQKXJFKHDCAORZ-MRVPVSSYSA-N 1 2 246.318 1.210 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccnc2N)Cc2c[nH]nc21 ZINC000931461381 640220696 /nfs/dbraw/zinc/22/06/96/640220696.db2.gz DDPQQEZBOXUWDD-VIFPVBQESA-N 1 2 243.314 1.506 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccnc2N)Cc2c[nH]nc21 ZINC000931461381 640220699 /nfs/dbraw/zinc/22/06/99/640220699.db2.gz DDPQQEZBOXUWDD-VIFPVBQESA-N 1 2 243.314 1.506 20 0 BDADLO CC[C@@H](CO)[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000931536597 640261206 /nfs/dbraw/zinc/26/12/06/640261206.db2.gz WCWYNFFJVPRTIY-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H](CO)[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000931536597 640261210 /nfs/dbraw/zinc/26/12/10/640261210.db2.gz WCWYNFFJVPRTIY-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC(=O)NCCCCC[N@@H+]1OC2CCC1CC2 ZINC000931572407 640280320 /nfs/dbraw/zinc/28/03/20/640280320.db2.gz SNCAMUCHHCYNMR-UHFFFAOYSA-N 1 2 240.347 1.851 20 0 BDADLO CC(=O)NCCCCC[N@H+]1OC2CCC1CC2 ZINC000931572407 640280325 /nfs/dbraw/zinc/28/03/25/640280325.db2.gz SNCAMUCHHCYNMR-UHFFFAOYSA-N 1 2 240.347 1.851 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H](O)C2)c(C)[nH+]1 ZINC000913168489 640316722 /nfs/dbraw/zinc/31/67/22/640316722.db2.gz PNQYANMQPFUGDC-TXEJJXNPSA-N 1 2 248.326 1.508 20 0 BDADLO CC(C)OCc1noc(C[N@H+](C)CCCF)n1 ZINC000931764910 640357462 /nfs/dbraw/zinc/35/74/62/640357462.db2.gz UKQUPYLXYSUQDL-UHFFFAOYSA-N 1 2 245.298 1.786 20 0 BDADLO CC(C)OCc1noc(C[N@@H+](C)CCCF)n1 ZINC000931764910 640357468 /nfs/dbraw/zinc/35/74/68/640357468.db2.gz UKQUPYLXYSUQDL-UHFFFAOYSA-N 1 2 245.298 1.786 20 0 BDADLO CC[C@H](CO)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000931773872 640366967 /nfs/dbraw/zinc/36/69/67/640366967.db2.gz VQPFNIDREZGHRA-LLVKDONJSA-N 1 2 246.314 1.128 20 0 BDADLO C/C=C/C=C\C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913441906 640371769 /nfs/dbraw/zinc/37/17/69/640371769.db2.gz VAKHZCAPSUPFTR-GSTVFTAWSA-N 1 2 246.314 1.015 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1cc2occc2[nH]1 ZINC000151438456 640380866 /nfs/dbraw/zinc/38/08/66/640380866.db2.gz ZEYCYGDANCYOFR-UHFFFAOYSA-N 1 2 244.254 1.387 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3cn(C)cn3)C2)no1 ZINC000931938587 640396893 /nfs/dbraw/zinc/39/68/93/640396893.db2.gz TWUDHJCCQSLOSB-JTQLQIEISA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3cn(C)cn3)C2)no1 ZINC000931938587 640396901 /nfs/dbraw/zinc/39/69/01/640396901.db2.gz TWUDHJCCQSLOSB-JTQLQIEISA-N 1 2 247.302 1.101 20 0 BDADLO C/C(=C/C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000055010015 640427989 /nfs/dbraw/zinc/42/79/89/640427989.db2.gz XHMSIJKCPPUXHM-NTMALXAHSA-N 1 2 219.288 1.356 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932264375 640462344 /nfs/dbraw/zinc/46/23/44/640462344.db2.gz XNCAQDZCWRSDPY-NSHDSACASA-N 1 2 207.277 1.146 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932264375 640462347 /nfs/dbraw/zinc/46/23/47/640462347.db2.gz XNCAQDZCWRSDPY-NSHDSACASA-N 1 2 207.277 1.146 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932264374 640463352 /nfs/dbraw/zinc/46/33/52/640463352.db2.gz XNCAQDZCWRSDPY-LLVKDONJSA-N 1 2 207.277 1.146 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932264374 640463355 /nfs/dbraw/zinc/46/33/55/640463355.db2.gz XNCAQDZCWRSDPY-LLVKDONJSA-N 1 2 207.277 1.146 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C)CC2)o1 ZINC000932337077 640480349 /nfs/dbraw/zinc/48/03/49/640480349.db2.gz VWDGWYQVRMJBHS-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C)CC2)o1 ZINC000932337077 640480353 /nfs/dbraw/zinc/48/03/53/640480353.db2.gz VWDGWYQVRMJBHS-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(NCc2cncs2)cc[nH+]1 ZINC000164545433 640488783 /nfs/dbraw/zinc/48/87/83/640488783.db2.gz XWNBOBAKUGFSEZ-UHFFFAOYSA-N 1 2 206.274 1.854 20 0 BDADLO COC(C[NH2+][C@H](c1ncccn1)C1CC1)OC ZINC000932355735 640499692 /nfs/dbraw/zinc/49/96/92/640499692.db2.gz YSVRDSYNPMRMRO-NSHDSACASA-N 1 2 237.303 1.136 20 0 BDADLO C[C@H](F)CC[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001030050715 640548619 /nfs/dbraw/zinc/54/86/19/640548619.db2.gz OQTWNBOAKUHLEF-ZETCQYMHSA-N 1 2 238.253 1.190 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)no1 ZINC000932487817 640552360 /nfs/dbraw/zinc/55/23/60/640552360.db2.gz CSLWHIMMRCYGEY-BKPPORCPSA-N 1 2 211.265 1.064 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCn3cccc3C2)CC1 ZINC000932524200 640562918 /nfs/dbraw/zinc/56/29/18/640562918.db2.gz HOGIBMUZKUKWLU-UHFFFAOYSA-N 1 2 248.326 1.647 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCn3cccc3C2)CC1 ZINC000932524200 640562922 /nfs/dbraw/zinc/56/29/22/640562922.db2.gz HOGIBMUZKUKWLU-UHFFFAOYSA-N 1 2 248.326 1.647 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604467 640582475 /nfs/dbraw/zinc/58/24/75/640582475.db2.gz WHOGTMHLTZQGBR-CYBMUJFWSA-N 1 2 249.358 1.737 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604467 640582480 /nfs/dbraw/zinc/58/24/80/640582480.db2.gz WHOGTMHLTZQGBR-CYBMUJFWSA-N 1 2 249.358 1.737 20 0 BDADLO CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC=CC1 ZINC000932827296 640614087 /nfs/dbraw/zinc/61/40/87/640614087.db2.gz TZGNCIOCXHTQPV-UHFFFAOYSA-N 1 2 231.299 1.623 20 0 BDADLO C[C@H]1C(=O)CCC[N@H+]1CCC[C@H]1CCOC1 ZINC000932849481 640622896 /nfs/dbraw/zinc/62/28/96/640622896.db2.gz RJDYJFWXMVAGHN-RYUDHWBXSA-N 1 2 225.332 1.857 20 0 BDADLO C[C@H]1C(=O)CCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000932849481 640622899 /nfs/dbraw/zinc/62/28/99/640622899.db2.gz RJDYJFWXMVAGHN-RYUDHWBXSA-N 1 2 225.332 1.857 20 0 BDADLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000932973968 640658595 /nfs/dbraw/zinc/65/85/95/640658595.db2.gz YKISKUCRBISGKY-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000932973968 640658600 /nfs/dbraw/zinc/65/86/00/640658600.db2.gz YKISKUCRBISGKY-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)c(C)o2)C1 ZINC001030216268 640688183 /nfs/dbraw/zinc/68/81/83/640688183.db2.gz AYWPLLBEEFNMLY-UHFFFAOYSA-N 1 2 222.288 1.330 20 0 BDADLO C[C@H](CNC(=O)[C@@]1(C)C=CCC1)Cn1cc[nH+]c1 ZINC000933299416 640702739 /nfs/dbraw/zinc/70/27/39/640702739.db2.gz RYQHPEYPFOOPNT-OCCSQVGLSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H](CNC(=O)[C@@]1(C)C=CCC1)Cn1cc[nH+]c1 ZINC000933299415 640703031 /nfs/dbraw/zinc/70/30/31/640703031.db2.gz RYQHPEYPFOOPNT-JSGCOSHPSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933895804 640782924 /nfs/dbraw/zinc/78/29/24/640782924.db2.gz RSVSCTPKSMFZPJ-NSHDSACASA-N 1 2 237.303 1.055 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933895804 640782927 /nfs/dbraw/zinc/78/29/27/640782927.db2.gz RSVSCTPKSMFZPJ-NSHDSACASA-N 1 2 237.303 1.055 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(CO)cc1 ZINC000227475953 640835535 /nfs/dbraw/zinc/83/55/35/640835535.db2.gz UJGFEOORFCYIPE-UHFFFAOYSA-N 1 2 233.271 1.160 20 0 BDADLO CC[NH+]1CC(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001030420062 640847206 /nfs/dbraw/zinc/84/72/06/640847206.db2.gz GDTFFUMIFJAFNX-UHFFFAOYSA-N 1 2 233.315 1.326 20 0 BDADLO CCCc1cc(C(=O)NC2C[NH+](CC)C2)ccn1 ZINC001030478534 640874116 /nfs/dbraw/zinc/87/41/16/640874116.db2.gz LPZZCXJTEKXQTM-UHFFFAOYSA-N 1 2 247.342 1.468 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)sc2C)C1 ZINC001030626094 640993528 /nfs/dbraw/zinc/99/35/28/640993528.db2.gz RPUPFPTXVMKFOA-UHFFFAOYSA-N 1 2 238.356 1.799 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000230236438 641040276 /nfs/dbraw/zinc/04/02/76/641040276.db2.gz JAPQJIDQWWXIQK-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000230236438 641040279 /nfs/dbraw/zinc/04/02/79/641040279.db2.gz JAPQJIDQWWXIQK-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000087810766 641052389 /nfs/dbraw/zinc/05/23/89/641052389.db2.gz CSNLUGCFMHHZOY-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000087810766 641052391 /nfs/dbraw/zinc/05/23/91/641052391.db2.gz CSNLUGCFMHHZOY-SECBINFHSA-N 1 2 224.308 1.481 20 0 BDADLO CCOCCN(CC)c1cc(NC)[nH+]cn1 ZINC000087830198 641063723 /nfs/dbraw/zinc/06/37/23/641063723.db2.gz KECVEWJIXXJOMT-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO CCOCCN(CC)c1cc(NC)nc[nH+]1 ZINC000087830198 641063725 /nfs/dbraw/zinc/06/37/25/641063725.db2.gz KECVEWJIXXJOMT-UHFFFAOYSA-N 1 2 224.308 1.381 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000934105998 641068709 /nfs/dbraw/zinc/06/87/09/641068709.db2.gz ACEMAGDCDQSVOO-NWDGAFQWSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000934105998 641068713 /nfs/dbraw/zinc/06/87/13/641068713.db2.gz ACEMAGDCDQSVOO-NWDGAFQWSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(C)on1 ZINC000934106497 641070256 /nfs/dbraw/zinc/07/02/56/641070256.db2.gz ISCBATGRGVWRSI-WDEREUQCSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C)on1 ZINC000934106497 641070261 /nfs/dbraw/zinc/07/02/61/641070261.db2.gz ISCBATGRGVWRSI-WDEREUQCSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nccn1C ZINC000934112895 641077106 /nfs/dbraw/zinc/07/71/06/641077106.db2.gz WSWBIJAGJFRZNR-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nccn1C ZINC000934112895 641077107 /nfs/dbraw/zinc/07/71/07/641077107.db2.gz WSWBIJAGJFRZNR-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO CC1(C)OCC([NH2+]Cc2cscn2)CO1 ZINC000230695494 641082350 /nfs/dbraw/zinc/08/23/50/641082350.db2.gz QSQCHEBTIWPHAM-UHFFFAOYSA-N 1 2 228.317 1.384 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127239 641087138 /nfs/dbraw/zinc/08/71/38/641087138.db2.gz UBEQIQXCGRYEEV-UWVGGRQHSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000934127239 641087143 /nfs/dbraw/zinc/08/71/43/641087143.db2.gz UBEQIQXCGRYEEV-UWVGGRQHSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000934123011 641087629 /nfs/dbraw/zinc/08/76/29/641087629.db2.gz IZHRIEJODAEZSP-FKTZTGRPSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000934123011 641087636 /nfs/dbraw/zinc/08/76/36/641087636.db2.gz IZHRIEJODAEZSP-FKTZTGRPSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000934143497 641091432 /nfs/dbraw/zinc/09/14/32/641091432.db2.gz PSUXLEBCUMUCAX-SNVBAGLBSA-N 1 2 245.282 1.424 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934234296 641111933 /nfs/dbraw/zinc/11/19/33/641111933.db2.gz KMRWDTCWXGWHCO-NXEZZACHSA-N 1 2 222.288 1.164 20 0 BDADLO C[C@H]1CSCCC[N@@H+]1CCc1cnn[nH]1 ZINC000934297983 641119577 /nfs/dbraw/zinc/11/95/77/641119577.db2.gz QKLOFOJYQWWUHU-VIFPVBQESA-N 1 2 226.349 1.175 20 0 BDADLO C[C@H]1CSCCC[N@H+]1CCc1cnn[nH]1 ZINC000934297983 641119578 /nfs/dbraw/zinc/11/95/78/641119578.db2.gz QKLOFOJYQWWUHU-VIFPVBQESA-N 1 2 226.349 1.175 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)C(=O)OC(C)(C)C ZINC000231308362 641154641 /nfs/dbraw/zinc/15/46/41/641154641.db2.gz YUNWQVFWPLEKJP-HBNTYKKESA-N 1 2 243.347 1.467 20 0 BDADLO COC/C(C)=C/C[NH2+][C@H](C(=O)OC)C(C)C ZINC000934499278 641173990 /nfs/dbraw/zinc/17/39/90/641173990.db2.gz PKJGWULJJAPSGY-RUYJGKKWSA-N 1 2 229.320 1.366 20 0 BDADLO CC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC(C)C ZINC000934817875 641278970 /nfs/dbraw/zinc/27/89/70/641278970.db2.gz KSFYDUSNGSXIPD-SECBINFHSA-N 1 2 217.309 1.077 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CC[C@@H](O)C(C)C ZINC000934820626 641281677 /nfs/dbraw/zinc/28/16/77/641281677.db2.gz KQLSKRDTQPIQDT-LLVKDONJSA-N 1 2 245.363 1.713 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000935018122 641318406 /nfs/dbraw/zinc/31/84/06/641318406.db2.gz WAHMOMDKVPNLFI-MWLCHTKSSA-N 1 2 220.272 1.094 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C)CCCC2)C1 ZINC001030757416 641337026 /nfs/dbraw/zinc/33/70/26/641337026.db2.gz QAFTZGQKERDAIY-UHFFFAOYSA-N 1 2 210.321 1.387 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CC[C@H](F)C1 ZINC001030850476 641383025 /nfs/dbraw/zinc/38/30/25/641383025.db2.gz GTHDVXHTXPOBKL-ZJUUUORDSA-N 1 2 246.301 1.285 20 0 BDADLO CC(C)(O)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935469033 641415061 /nfs/dbraw/zinc/41/50/61/641415061.db2.gz XIBGSDLDJRMLHF-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO CCc1ncoc1C(=O)NC1C[NH+](C(C)C)C1 ZINC001030929179 641427589 /nfs/dbraw/zinc/42/75/89/641427589.db2.gz NDUCMCQNKFSSJZ-UHFFFAOYSA-N 1 2 237.303 1.059 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000913797845 641479480 /nfs/dbraw/zinc/47/94/80/641479480.db2.gz FQGUFLYEJUTAQO-USWWRNFRSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC12CCC2 ZINC000913811694 641484100 /nfs/dbraw/zinc/48/41/00/641484100.db2.gz KZIHFKMTXUHEPN-VIFPVBQESA-N 1 2 205.261 1.011 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000936024601 641520421 /nfs/dbraw/zinc/52/04/21/641520421.db2.gz NQQMOTZSNXBOIB-CNDDSTCGSA-N 1 2 247.342 1.863 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCOC2)cc[nH+]1 ZINC000493030150 641567771 /nfs/dbraw/zinc/56/77/71/641567771.db2.gz WWTKGFWJMBDROP-OTDNITJGSA-N 1 2 232.283 1.343 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1(CC2CC2)CC1 ZINC000914345526 641643138 /nfs/dbraw/zinc/64/31/38/641643138.db2.gz FAMMYPCNQOZCIV-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO CC1(CNC(=O)Cn2cc[nH+]c2)CC(F)(F)C1 ZINC000914354540 641644208 /nfs/dbraw/zinc/64/42/08/641644208.db2.gz KPWANUWQRQAMJK-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO CCC[C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000914360996 641644256 /nfs/dbraw/zinc/64/42/56/641644256.db2.gz CPCGOLGIAQKGIV-JTQLQIEISA-N 1 2 223.320 1.895 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CC1(C)C ZINC000914379666 641653822 /nfs/dbraw/zinc/65/38/22/641653822.db2.gz CGHGKQLIUZYRTQ-ZDUSSCGKSA-N 1 2 235.331 1.813 20 0 BDADLO C=C/C=C\CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000914403821 641659469 /nfs/dbraw/zinc/65/94/69/641659469.db2.gz QHZCDDWWDSTDKM-ARJAWSKDSA-N 1 2 205.261 1.201 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CF)C1 ZINC000914426921 641669153 /nfs/dbraw/zinc/66/91/53/641669153.db2.gz BZVVRPZUZNPEHC-SNVBAGLBSA-N 1 2 239.294 1.469 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC000159344441 641677634 /nfs/dbraw/zinc/67/76/34/641677634.db2.gz PUJVFFYUXXFCHV-MRVPVSSYSA-N 1 2 234.259 1.086 20 0 BDADLO CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000049369588 641716566 /nfs/dbraw/zinc/71/65/66/641716566.db2.gz PKRLLDOQOUBZQJ-UHFFFAOYSA-N 1 2 230.271 1.301 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000929843659 641754320 /nfs/dbraw/zinc/75/43/20/641754320.db2.gz NYMGMSKBLVCODA-MHTFJADPSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000929843659 641754322 /nfs/dbraw/zinc/75/43/22/641754322.db2.gz NYMGMSKBLVCODA-MHTFJADPSA-N 1 2 227.304 1.215 20 0 BDADLO CC[NH+]1CC(NC(=O)c2coc(CC3CC3)n2)C1 ZINC001031166624 641761399 /nfs/dbraw/zinc/76/13/99/641761399.db2.gz KOVDJCCACCIRSO-UHFFFAOYSA-N 1 2 249.314 1.061 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001031178211 641777164 /nfs/dbraw/zinc/77/71/64/641777164.db2.gz OUAADCFZRGXJKV-DGCLKSJQSA-N 1 2 224.348 1.489 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000189815857 641819943 /nfs/dbraw/zinc/81/99/43/641819943.db2.gz OYZGCCLVIMFKEK-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000190232772 641852169 /nfs/dbraw/zinc/85/21/69/641852169.db2.gz NAHBTNOJXPPXSA-JTQLQIEISA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000190232772 641852172 /nfs/dbraw/zinc/85/21/72/641852172.db2.gz NAHBTNOJXPPXSA-JTQLQIEISA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000190232790 641853050 /nfs/dbraw/zinc/85/30/50/641853050.db2.gz NAHBTNOJXPPXSA-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000190232790 641853054 /nfs/dbraw/zinc/85/30/54/641853054.db2.gz NAHBTNOJXPPXSA-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO Cc1c[nH]cc1C(=O)NC1C[NH+](CCCF)C1 ZINC001031386324 642045244 /nfs/dbraw/zinc/04/52/44/642045244.db2.gz CSJFCFOJRVBBRP-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO Cc1cccnc1NC(=O)CCn1cc[nH+]c1 ZINC000917371802 642053263 /nfs/dbraw/zinc/05/32/63/642053263.db2.gz YOUOVFCNUTUFLD-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933205165 642388491 /nfs/dbraw/zinc/38/84/91/642388491.db2.gz XHCIEVPFUYWHSM-GFCCVEGCSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933205165 642388504 /nfs/dbraw/zinc/38/85/04/642388504.db2.gz XHCIEVPFUYWHSM-GFCCVEGCSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H]2CC2CC2)cn1 ZINC000933211314 642392560 /nfs/dbraw/zinc/39/25/60/642392560.db2.gz BLABJQNQEKKWAC-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H]2CC2CC2)cn1 ZINC000933211314 642392565 /nfs/dbraw/zinc/39/25/65/642392565.db2.gz BLABJQNQEKKWAC-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2CC2CC2)on1 ZINC000933215576 642394515 /nfs/dbraw/zinc/39/45/15/642394515.db2.gz SLWSEUBBASLGEY-LBPRGKRZSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2CC2CC2)on1 ZINC000933215576 642394522 /nfs/dbraw/zinc/39/45/22/642394522.db2.gz SLWSEUBBASLGEY-LBPRGKRZSA-N 1 2 236.315 1.984 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933217931 642397800 /nfs/dbraw/zinc/39/78/00/642397800.db2.gz HYLYPIMXICIKRO-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933217931 642397808 /nfs/dbraw/zinc/39/78/08/642397808.db2.gz HYLYPIMXICIKRO-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@@H]1CC[C@H](C)O1)C2 ZINC000933254454 642423987 /nfs/dbraw/zinc/42/39/87/642423987.db2.gz PYLZPUVTQGXAPB-RYUDHWBXSA-N 1 2 249.358 1.829 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@@H]1CC[C@H](C)O1)C2 ZINC000933254454 642423989 /nfs/dbraw/zinc/42/39/89/642423989.db2.gz PYLZPUVTQGXAPB-RYUDHWBXSA-N 1 2 249.358 1.829 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@@H]1CC[C@@H](C)O1)C2 ZINC000933254450 642424351 /nfs/dbraw/zinc/42/43/51/642424351.db2.gz PYLZPUVTQGXAPB-NEPJUHHUSA-N 1 2 249.358 1.829 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)C2 ZINC000933254450 642424356 /nfs/dbraw/zinc/42/43/56/642424356.db2.gz PYLZPUVTQGXAPB-NEPJUHHUSA-N 1 2 249.358 1.829 20 0 BDADLO c1cc2c(cc1C[NH+]1CCOCC1)CCCO2 ZINC000891391163 642457781 /nfs/dbraw/zinc/45/77/81/642457781.db2.gz SXOCAVDQDCGJMG-UHFFFAOYSA-N 1 2 233.311 1.844 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000233063411 642648197 /nfs/dbraw/zinc/64/81/97/642648197.db2.gz YFRHDZOMSVUWRY-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO CSCCSc1nc(N)cc(C)[nH+]1 ZINC000135879712 642670198 /nfs/dbraw/zinc/67/01/98/642670198.db2.gz UBDHAXMDUCMSDR-UHFFFAOYSA-N 1 2 215.347 1.822 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000233690552 642689726 /nfs/dbraw/zinc/68/97/26/642689726.db2.gz JUMYZJUPNXHKNH-WHXUTIOJSA-N 1 2 213.321 1.962 20 0 BDADLO C[N@H+](CN1Cc2ccc(F)cc2C1=O)C1CC1 ZINC000179852238 642749613 /nfs/dbraw/zinc/74/96/13/642749613.db2.gz FPTGWEWPWNRFNJ-UHFFFAOYSA-N 1 2 234.274 1.833 20 0 BDADLO C[N@@H+](CN1Cc2ccc(F)cc2C1=O)C1CC1 ZINC000179852238 642749619 /nfs/dbraw/zinc/74/96/19/642749619.db2.gz FPTGWEWPWNRFNJ-UHFFFAOYSA-N 1 2 234.274 1.833 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1=CCCC1 ZINC000181632477 642891214 /nfs/dbraw/zinc/89/12/14/642891214.db2.gz JRCICFFJLXAQKH-LLVKDONJSA-N 1 2 239.315 1.361 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC[N@H+](CCF)C1)C1CC1 ZINC001015586332 642913078 /nfs/dbraw/zinc/91/30/78/642913078.db2.gz WGORQJAHPZGEKZ-NSHDSACASA-N 1 2 242.338 1.583 20 0 BDADLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC001015586332 642913083 /nfs/dbraw/zinc/91/30/83/642913083.db2.gz WGORQJAHPZGEKZ-NSHDSACASA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)CCO1 ZINC000932337806 643133780 /nfs/dbraw/zinc/13/37/80/643133780.db2.gz VBUZNLIWLYCAHK-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)CCO1 ZINC000932337806 643133791 /nfs/dbraw/zinc/13/37/91/643133791.db2.gz VBUZNLIWLYCAHK-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CC12CCC2 ZINC001032015945 643187017 /nfs/dbraw/zinc/18/70/17/643187017.db2.gz VBDQOLHLPGCKOE-NSHDSACASA-N 1 2 240.322 1.194 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032025850 643195025 /nfs/dbraw/zinc/19/50/25/643195025.db2.gz APRHHHDRVOMAMK-PWSUYJOCSA-N 1 2 242.338 1.440 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032090051 643244585 /nfs/dbraw/zinc/24/45/85/643244585.db2.gz POALDKCPCOQRAM-NEPJUHHUSA-N 1 2 242.338 1.296 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032090054 643246324 /nfs/dbraw/zinc/24/63/24/643246324.db2.gz POALDKCPCOQRAM-VXGBXAGGSA-N 1 2 242.338 1.296 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000306496361 643330242 /nfs/dbraw/zinc/33/02/42/643330242.db2.gz DKPWXDKERCPDMT-HTQZYQBOSA-N 1 2 224.131 1.901 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000306496361 643330251 /nfs/dbraw/zinc/33/02/51/643330251.db2.gz DKPWXDKERCPDMT-HTQZYQBOSA-N 1 2 224.131 1.901 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1CN1CCCC1=O ZINC000072941176 643337045 /nfs/dbraw/zinc/33/70/45/643337045.db2.gz NNZNJPXWMLJMJO-GFCCVEGCSA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1CN1CCCC1=O ZINC000072941176 643337051 /nfs/dbraw/zinc/33/70/51/643337051.db2.gz NNZNJPXWMLJMJO-GFCCVEGCSA-N 1 2 240.347 1.313 20 0 BDADLO O=C(C=C1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000733983241 643485474 /nfs/dbraw/zinc/48/54/74/643485474.db2.gz JWIZSYQNHZFFHY-UHFFFAOYSA-N 1 2 231.299 1.767 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000735318888 643533273 /nfs/dbraw/zinc/53/32/73/643533273.db2.gz XPISPNZFSKXCJA-NSHDSACASA-N 1 2 247.338 1.943 20 0 BDADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000970914938 643612582 /nfs/dbraw/zinc/61/25/82/643612582.db2.gz HNJKMZRVXGFRDZ-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000970914938 643612586 /nfs/dbraw/zinc/61/25/86/643612586.db2.gz HNJKMZRVXGFRDZ-LBPRGKRZSA-N 1 2 237.303 1.036 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccs1 ZINC000049236034 643614616 /nfs/dbraw/zinc/61/46/16/643614616.db2.gz HBYJDTCZBHBIPI-QMMMGPOBSA-N 1 2 208.290 1.840 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC=CO1 ZINC000050269393 643672095 /nfs/dbraw/zinc/67/20/95/643672095.db2.gz GAPNTEHGBFECHI-LLVKDONJSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000050269392 643673259 /nfs/dbraw/zinc/67/32/59/643673259.db2.gz GAPNTEHGBFECHI-NSHDSACASA-N 1 2 207.277 1.500 20 0 BDADLO Cn1c[nH+]cc1COc1cccc(C=O)c1 ZINC000085191518 643690475 /nfs/dbraw/zinc/69/04/75/643690475.db2.gz UZHKYQPKQIYFFP-UHFFFAOYSA-N 1 2 216.240 1.812 20 0 BDADLO CC[C@@H]1C[N@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC000929256254 643824027 /nfs/dbraw/zinc/82/40/27/643824027.db2.gz AAJLRUVDFOTLPT-ZJRUKIMVSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC000929256254 643824031 /nfs/dbraw/zinc/82/40/31/643824031.db2.gz AAJLRUVDFOTLPT-ZJRUKIMVSA-N 1 2 227.304 1.217 20 0 BDADLO CSC[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000085988367 643880726 /nfs/dbraw/zinc/88/07/26/643880726.db2.gz PGIOJKRQHGPRPF-MRVPVSSYSA-N 1 2 228.317 1.462 20 0 BDADLO CC(C)n1ccc(C(=O)OCc2c[nH+]cn2C)n1 ZINC000085989541 643882383 /nfs/dbraw/zinc/88/23/83/643882383.db2.gz OPVDGYVZYYZUKM-UHFFFAOYSA-N 1 2 248.286 1.555 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1CCCC1 ZINC000922174973 643889405 /nfs/dbraw/zinc/88/94/05/643889405.db2.gz WWZWXGQHTZRCRI-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO Cc1noc(C)c1[C@@H](C)N[C@@H]1CC[N@H+](C)C1 ZINC000086109786 643910192 /nfs/dbraw/zinc/91/01/92/643910192.db2.gz ZPJYURSOCFZHNR-LDYMZIIASA-N 1 2 223.320 1.646 20 0 BDADLO Cc1noc(C)c1[C@@H](C)N[C@@H]1CC[N@@H+](C)C1 ZINC000086109786 643910197 /nfs/dbraw/zinc/91/01/97/643910197.db2.gz ZPJYURSOCFZHNR-LDYMZIIASA-N 1 2 223.320 1.646 20 0 BDADLO Nc1ccc(COC(=O)C2CCOCC2)c[nH+]1 ZINC000922273269 643942156 /nfs/dbraw/zinc/94/21/56/643942156.db2.gz CUNPZIGDRKVRTI-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO CC(C)SCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922320025 643970617 /nfs/dbraw/zinc/97/06/17/643970617.db2.gz GOLXIYXJIIOJQS-UHFFFAOYSA-N 1 2 240.328 1.849 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922362781 643980199 /nfs/dbraw/zinc/98/01/99/643980199.db2.gz DOARMXMXPDIGOK-NXEZZACHSA-N 1 2 236.271 1.132 20 0 BDADLO CC(C)OCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922387618 643983055 /nfs/dbraw/zinc/98/30/55/643983055.db2.gz WKRYVZHLHMJKRO-UHFFFAOYSA-N 1 2 224.260 1.132 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1=COCCC1 ZINC000922423223 643991110 /nfs/dbraw/zinc/99/11/10/643991110.db2.gz HPTSPCZZTHGTAZ-UHFFFAOYSA-N 1 2 234.255 1.401 20 0 BDADLO CCn1cc(C(=O)OCc2ccc(N)[nH+]c2)cn1 ZINC000922457072 643997438 /nfs/dbraw/zinc/99/74/38/643997438.db2.gz DZHAVHFSJZLWFF-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO C[C@]1(C(=O)OCc2ccc[nH+]c2N)CCCO1 ZINC000922521283 644012106 /nfs/dbraw/zinc/01/21/06/644012106.db2.gz YMSAQACFFHKTPM-GFCCVEGCSA-N 1 2 236.271 1.276 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CCC2(COC2)CC1 ZINC000922560720 644021315 /nfs/dbraw/zinc/02/13/15/644021315.db2.gz UBFJPGQXAZFRKY-UHFFFAOYSA-N 1 2 249.314 1.028 20 0 BDADLO COC(C)(C)CC(=O)OCc1ccc[nH+]c1N ZINC000922672521 644065260 /nfs/dbraw/zinc/06/52/60/644065260.db2.gz DKFKEHSEKBFIJJ-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCC=CO1 ZINC000922675548 644065507 /nfs/dbraw/zinc/06/55/07/644065507.db2.gz NMGJGCFEIXJYQQ-JTQLQIEISA-N 1 2 234.255 1.400 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2C[C@@H]2C(F)F)c[nH+]1 ZINC000922706433 644071238 /nfs/dbraw/zinc/07/12/38/644071238.db2.gz KKYZEQYYTYDEIG-YUMQZZPRSA-N 1 2 242.225 1.608 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000922716848 644073736 /nfs/dbraw/zinc/07/37/36/644073736.db2.gz TYRWGNWVRZBARA-RHYQMDGZSA-N 1 2 241.331 1.295 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000922716848 644073741 /nfs/dbraw/zinc/07/37/41/644073741.db2.gz TYRWGNWVRZBARA-RHYQMDGZSA-N 1 2 241.331 1.295 20 0 BDADLO CCC[C@H](OC)C(=O)OCc1ccc[nH+]c1N ZINC000922766942 644090582 /nfs/dbraw/zinc/09/05/82/644090582.db2.gz MCQAUXVVERSALW-JTQLQIEISA-N 1 2 238.287 1.522 20 0 BDADLO CCC[C@@H](OC)C(=O)OCc1ccc[nH+]c1N ZINC000922766943 644091174 /nfs/dbraw/zinc/09/11/74/644091174.db2.gz MCQAUXVVERSALW-SNVBAGLBSA-N 1 2 238.287 1.522 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C/[C@@H]1CCOC1 ZINC000922777611 644091824 /nfs/dbraw/zinc/09/18/24/644091824.db2.gz WQXRRKFDQRLZIT-HMDXOVGESA-N 1 2 248.282 1.300 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000922956801 644200693 /nfs/dbraw/zinc/20/06/93/644200693.db2.gz APCFAIKBIANSQM-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO OCc1ccc(C[NH2+]Cc2cncc(O)c2)o1 ZINC000922975928 644205235 /nfs/dbraw/zinc/20/52/35/644205235.db2.gz OMEJBAWDJUTXAH-UHFFFAOYSA-N 1 2 234.255 1.162 20 0 BDADLO FC(F)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000193585721 644257839 /nfs/dbraw/zinc/25/78/39/644257839.db2.gz GSSJRBZXVDTQJO-MRVPVSSYSA-N 1 2 214.215 1.552 20 0 BDADLO CCOC(=O)C[N@H+](CC)C/C=C(/C)COC ZINC000929360186 644269636 /nfs/dbraw/zinc/26/96/36/644269636.db2.gz MQHATSKBFLEHLP-XFFZJAGNSA-N 1 2 229.320 1.464 20 0 BDADLO CCOC(=O)C[N@@H+](CC)C/C=C(/C)COC ZINC000929360186 644269642 /nfs/dbraw/zinc/26/96/42/644269642.db2.gz MQHATSKBFLEHLP-XFFZJAGNSA-N 1 2 229.320 1.464 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000193897562 644288394 /nfs/dbraw/zinc/28/83/94/644288394.db2.gz VHTBAXHZRVAHBL-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000193897562 644288399 /nfs/dbraw/zinc/28/83/99/644288399.db2.gz VHTBAXHZRVAHBL-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000246591369 644597767 /nfs/dbraw/zinc/59/77/67/644597767.db2.gz WUZDVWOWHDLYLV-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000246591369 644597771 /nfs/dbraw/zinc/59/77/71/644597771.db2.gz WUZDVWOWHDLYLV-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO C[C@H]1CC[N@H+](Cn2nc3ccccn3c2=O)[C@H]1C ZINC000247071993 644620112 /nfs/dbraw/zinc/62/01/12/644620112.db2.gz UXXQVXWNAPTAFI-QWRGUYRKSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2nc3ccccn3c2=O)[C@H]1C ZINC000247071993 644620117 /nfs/dbraw/zinc/62/01/17/644620117.db2.gz UXXQVXWNAPTAFI-QWRGUYRKSA-N 1 2 246.314 1.184 20 0 BDADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000760226389 644647832 /nfs/dbraw/zinc/64/78/32/644647832.db2.gz NDMWOFGKVKCZPD-SNVBAGLBSA-N 1 2 247.302 1.272 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1ccon1 ZINC000092410396 644656935 /nfs/dbraw/zinc/65/69/35/644656935.db2.gz APVMBSXYXGIVIX-UHFFFAOYSA-N 1 2 220.276 1.260 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC=CO1 ZINC000248830248 644699249 /nfs/dbraw/zinc/69/92/49/644699249.db2.gz HEUDVGIXRSMDAE-NWDGAFQWSA-N 1 2 241.331 1.951 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000248830248 644699255 /nfs/dbraw/zinc/69/92/55/644699255.db2.gz HEUDVGIXRSMDAE-NWDGAFQWSA-N 1 2 241.331 1.951 20 0 BDADLO CCn1nccc1C(=O)OCCc1c[nH+]cn1C ZINC000793243854 644801810 /nfs/dbraw/zinc/80/18/10/644801810.db2.gz WVRNASMZHPEZFP-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)/C=C/c1ccco1 ZINC000793239550 644801824 /nfs/dbraw/zinc/80/18/24/644801824.db2.gz CNMSPELDVPLBEV-SNAWJCMRSA-N 1 2 246.266 1.812 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCO[C@H](CC)C1 ZINC000304140857 644872200 /nfs/dbraw/zinc/87/22/00/644872200.db2.gz AOOQDYPAPRUWME-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCO[C@H](CC)C1 ZINC000304140857 644872205 /nfs/dbraw/zinc/87/22/05/644872205.db2.gz AOOQDYPAPRUWME-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO Cc1ncccc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000810883489 644905945 /nfs/dbraw/zinc/90/59/45/644905945.db2.gz DHXOKIAJZHQEAU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ncccc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000810883489 644905948 /nfs/dbraw/zinc/90/59/48/644905948.db2.gz DHXOKIAJZHQEAU-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CS[C@@H]1CC[C@@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000304536618 644915219 /nfs/dbraw/zinc/91/52/19/644915219.db2.gz VDWHXWVSOVQOIG-HTQZYQBOSA-N 1 2 239.348 1.458 20 0 BDADLO CS[C@@H]1CC[C@@H](Nc2nc(N)nc(C)[nH+]2)C1 ZINC000304536618 644915225 /nfs/dbraw/zinc/91/52/25/644915225.db2.gz VDWHXWVSOVQOIG-HTQZYQBOSA-N 1 2 239.348 1.458 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(F)=C1CCC1 ZINC000819111721 645004980 /nfs/dbraw/zinc/00/49/80/645004980.db2.gz UBLRQJHQAAAPNC-SECBINFHSA-N 1 2 237.278 1.795 20 0 BDADLO C[N@H+](C[C@@](C)(O)c1ccccc1)[C@H]1CCOC1=O ZINC000823593225 645046532 /nfs/dbraw/zinc/04/65/32/645046532.db2.gz YRZCMHAHJNUZFO-GXTWGEPZSA-N 1 2 249.310 1.141 20 0 BDADLO C[N@@H+](C[C@@](C)(O)c1ccccc1)[C@H]1CCOC1=O ZINC000823593225 645046533 /nfs/dbraw/zinc/04/65/33/645046533.db2.gz YRZCMHAHJNUZFO-GXTWGEPZSA-N 1 2 249.310 1.141 20 0 BDADLO CSC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000827126304 645073960 /nfs/dbraw/zinc/07/39/60/645073960.db2.gz YZDQBNXGPOHHKU-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO O=C(N[C@H]1C[C@@H](CO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000827865387 645087890 /nfs/dbraw/zinc/08/78/90/645087890.db2.gz XVBHYJYVVDDWHE-WAAGHKOSSA-N 1 2 245.282 1.064 20 0 BDADLO CCN(CC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000834852832 645150287 /nfs/dbraw/zinc/15/02/87/645150287.db2.gz VAGDEKJWERGKRM-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1COC[C@H]1C)C(C)C ZINC000926524570 645256027 /nfs/dbraw/zinc/25/60/27/645256027.db2.gz PCRSPXNMEBDWAO-UTUOFQBUSA-N 1 2 243.347 1.587 20 0 BDADLO CCCc1ncc(C[NH2+][C@H](C)c2cnnn2C)o1 ZINC000926536729 645264659 /nfs/dbraw/zinc/26/46/59/645264659.db2.gz HQMOWFVZKKBJNH-SECBINFHSA-N 1 2 249.318 1.606 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cnn(C)n1 ZINC000926587711 645303261 /nfs/dbraw/zinc/30/32/61/645303261.db2.gz NYNNJHHPHSJDPQ-IVZWLZJFSA-N 1 2 226.299 1.746 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1nonc1C ZINC000926727897 645383414 /nfs/dbraw/zinc/38/34/14/645383414.db2.gz PDIKLDAQNALJMC-IONOHQLYSA-N 1 2 211.265 1.206 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@](C)(O)c1ccccc1 ZINC000846039280 645392506 /nfs/dbraw/zinc/39/25/06/645392506.db2.gz QLPRVROHQASLQM-SMDDNHRTSA-N 1 2 245.326 1.796 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000926800158 645438534 /nfs/dbraw/zinc/43/85/34/645438534.db2.gz WOUKFNFHHQUUOP-UBKIQSJTSA-N 1 2 235.209 1.979 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@@H](O)c1ccccn1 ZINC000851795739 645469295 /nfs/dbraw/zinc/46/92/95/645469295.db2.gz JYHIVLLAXHHHDP-LLVKDONJSA-N 1 2 249.339 1.704 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@@H](O)c1ccccn1 ZINC000851795739 645469301 /nfs/dbraw/zinc/46/93/01/645469301.db2.gz JYHIVLLAXHHHDP-LLVKDONJSA-N 1 2 249.339 1.704 20 0 BDADLO CCN1CCC[C@@H]([NH2+][C@H](C)c2ncco2)C1=O ZINC000926900749 645483820 /nfs/dbraw/zinc/48/38/20/645483820.db2.gz PUNWDEIURIPBKH-NXEZZACHSA-N 1 2 237.303 1.336 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854911755 645515754 /nfs/dbraw/zinc/51/57/54/645515754.db2.gz GSANLXVKCFTTPS-JOYOIKCWSA-N 1 2 221.304 1.503 20 0 BDADLO COc1ccc(C)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857430537 645555127 /nfs/dbraw/zinc/55/51/27/645555127.db2.gz MSGZXOUWGNRKFN-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(C)c1 ZINC000857445885 645562372 /nfs/dbraw/zinc/56/23/72/645562372.db2.gz TYVKEBCLRPVGPO-UHFFFAOYSA-N 1 2 245.282 1.908 20 0 BDADLO CCc1onc(C)c1C[NH2+][C@H]1CCn2ccnc21 ZINC000927133715 645563928 /nfs/dbraw/zinc/56/39/28/645563928.db2.gz DEAIWNBNYCVNNG-NSHDSACASA-N 1 2 246.314 1.977 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@](C)(F)C1 ZINC000857517175 645585066 /nfs/dbraw/zinc/58/50/66/645585066.db2.gz OGLYDNWTRPXVDF-LBPRGKRZSA-N 1 2 239.294 1.313 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1nccn1C1CC1 ZINC000857539720 645603372 /nfs/dbraw/zinc/60/33/72/645603372.db2.gz AHUPVYZASFCRIZ-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO C/C=C(/C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927775786 645655118 /nfs/dbraw/zinc/65/51/18/645655118.db2.gz BBBKIZHCOOCJBK-BAQGIRSFSA-N 1 2 205.261 1.246 20 0 BDADLO Nc1ccc(CNC(=O)COC2CCCC2)c[nH+]1 ZINC000927779091 645657501 /nfs/dbraw/zinc/65/75/01/645657501.db2.gz UYSHSXKZNGGVFW-UHFFFAOYSA-N 1 2 249.314 1.239 20 0 BDADLO C[C@H](OCC1CC1)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927780581 645657704 /nfs/dbraw/zinc/65/77/04/645657704.db2.gz JYDOUQRSRMCLJQ-VIFPVBQESA-N 1 2 249.314 1.095 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866551592 645729711 /nfs/dbraw/zinc/72/97/11/645729711.db2.gz NURIHOLCZOHBBL-JQWIXIFHSA-N 1 2 237.303 1.092 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000928436257 645757215 /nfs/dbraw/zinc/75/72/15/645757215.db2.gz BIKYAQQVPKSVIJ-FSDSQADBSA-N 1 2 242.216 1.096 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000928436257 645757222 /nfs/dbraw/zinc/75/72/22/645757222.db2.gz BIKYAQQVPKSVIJ-FSDSQADBSA-N 1 2 242.216 1.096 20 0 BDADLO C/C=C\C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000211436507 645838006 /nfs/dbraw/zinc/83/80/06/645838006.db2.gz MLCFZPIRXZNFMF-GZTOBOFZSA-N 1 2 235.331 1.990 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C)CC1 ZINC000928642299 645853687 /nfs/dbraw/zinc/85/36/87/645853687.db2.gz NVYCITGSUSHLIJ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928639272 645853738 /nfs/dbraw/zinc/85/37/38/645853738.db2.gz AKXZJWZYMSGGEN-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928639259 645853849 /nfs/dbraw/zinc/85/38/49/645853849.db2.gz AKXZJWZYMSGGEN-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1noc(C(C)C)c1NC(=O)Cn1cc[nH+]c1 ZINC000928784778 645858147 /nfs/dbraw/zinc/85/81/47/645858147.db2.gz NINBERIFZADCQY-UHFFFAOYSA-N 1 2 248.286 1.942 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCn2cccc2C1 ZINC000928962019 645918752 /nfs/dbraw/zinc/91/87/52/645918752.db2.gz RCRMGZZLPNPUAA-UHFFFAOYSA-N 1 2 244.298 1.105 20 0 BDADLO COCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929157764 645980108 /nfs/dbraw/zinc/98/01/08/645980108.db2.gz XLKUMBYKUIWBPE-UHFFFAOYSA-N 1 2 233.271 1.329 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC000929176538 645988977 /nfs/dbraw/zinc/98/89/77/645988977.db2.gz JWBRQCVPQXEVPS-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC000929176538 645988980 /nfs/dbraw/zinc/98/89/80/645988980.db2.gz JWBRQCVPQXEVPS-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO C[N@H+](CCO)Cc1coc(C(C)(C)C)n1 ZINC000929243244 646031180 /nfs/dbraw/zinc/03/11/80/646031180.db2.gz DUCYCGOVAIYORV-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO C[N@@H+](CCO)Cc1coc(C(C)(C)C)n1 ZINC000929243244 646031184 /nfs/dbraw/zinc/03/11/84/646031184.db2.gz DUCYCGOVAIYORV-UHFFFAOYSA-N 1 2 212.293 1.396 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC000929286465 646061921 /nfs/dbraw/zinc/06/19/21/646061921.db2.gz QNCXHNUHOYJJGV-CMPLNLGQSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC000929286465 646061927 /nfs/dbraw/zinc/06/19/27/646061927.db2.gz QNCXHNUHOYJJGV-CMPLNLGQSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC000929286467 646063140 /nfs/dbraw/zinc/06/31/40/646063140.db2.gz QNCXHNUHOYJJGV-PWSUYJOCSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ncccn2)C1 ZINC000929286467 646063146 /nfs/dbraw/zinc/06/31/46/646063146.db2.gz QNCXHNUHOYJJGV-PWSUYJOCSA-N 1 2 248.330 1.138 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(F)nc1 ZINC000929298317 646072178 /nfs/dbraw/zinc/07/21/78/646072178.db2.gz YEXJXJUIKJFJDC-SECBINFHSA-N 1 2 239.294 1.350 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)nc1 ZINC000929298317 646072183 /nfs/dbraw/zinc/07/21/83/646072183.db2.gz YEXJXJUIKJFJDC-SECBINFHSA-N 1 2 239.294 1.350 20 0 BDADLO Cc1csc(C[NH2+][C@@H](C)c2cnnn2C)n1 ZINC000924614869 646080022 /nfs/dbraw/zinc/08/00/22/646080022.db2.gz JVDSHMFOROVMFZ-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCOCC1(C)C ZINC000929346535 646089444 /nfs/dbraw/zinc/08/94/44/646089444.db2.gz AMGZEEVCCMZHED-YFHOEESVSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCOCC1(C)C ZINC000929346535 646089448 /nfs/dbraw/zinc/08/94/48/646089448.db2.gz AMGZEEVCCMZHED-YFHOEESVSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cc1nnc(OC)s1 ZINC000929492683 646148075 /nfs/dbraw/zinc/14/80/75/646148075.db2.gz QTXJLAZWQIOZFQ-MRVPVSSYSA-N 1 2 227.333 1.921 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cc1nnc(OC)s1 ZINC000929492683 646148081 /nfs/dbraw/zinc/14/80/81/646148081.db2.gz QTXJLAZWQIOZFQ-MRVPVSSYSA-N 1 2 227.333 1.921 20 0 BDADLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)n1 ZINC000925101634 646184538 /nfs/dbraw/zinc/18/45/38/646184538.db2.gz FJRWQEUOIQVVLO-SECBINFHSA-N 1 2 248.334 1.489 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929635130 646213482 /nfs/dbraw/zinc/21/34/82/646213482.db2.gz KSEKVENDXIPYNH-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929635130 646213488 /nfs/dbraw/zinc/21/34/88/646213488.db2.gz KSEKVENDXIPYNH-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCNC(=O)C2(C)C)c1 ZINC000929654309 646222026 /nfs/dbraw/zinc/22/20/26/646222026.db2.gz KKTYHBCUEHNHLP-UHFFFAOYSA-N 1 2 247.342 1.409 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2nnc(OC)s2)C1 ZINC000929692419 646246272 /nfs/dbraw/zinc/24/62/72/646246272.db2.gz DCTHZRJOVBEHEB-QMMMGPOBSA-N 1 2 243.332 1.015 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2nnc(OC)s2)C1 ZINC000929692419 646246284 /nfs/dbraw/zinc/24/62/84/646246284.db2.gz DCTHZRJOVBEHEB-QMMMGPOBSA-N 1 2 243.332 1.015 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H]1CCC2(COC2)O1 ZINC000929694973 646249454 /nfs/dbraw/zinc/24/94/54/646249454.db2.gz DSOMLLDGYQNHGA-LLVKDONJSA-N 1 2 238.287 1.054 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H]1CCC2(COC2)O1 ZINC000929694973 646249457 /nfs/dbraw/zinc/24/94/57/646249457.db2.gz DSOMLLDGYQNHGA-LLVKDONJSA-N 1 2 238.287 1.054 20 0 BDADLO C[N@H+](CCO[C@H]1CCOC1)Cc1nccs1 ZINC000929769193 646296440 /nfs/dbraw/zinc/29/64/40/646296440.db2.gz OGVYKPPAANFWRR-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1nccs1 ZINC000929769193 646296448 /nfs/dbraw/zinc/29/64/48/646296448.db2.gz OGVYKPPAANFWRR-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2CC[C@](C)(O)C2)n1 ZINC000929787929 646316616 /nfs/dbraw/zinc/31/66/16/646316616.db2.gz KHJRGUPUCZNYAP-NSHDSACASA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nsc(C[N@H+]2CC[C@](C)(O)C2)n1 ZINC000929787929 646316620 /nfs/dbraw/zinc/31/66/20/646316620.db2.gz KHJRGUPUCZNYAP-NSHDSACASA-N 1 2 241.360 1.618 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncco1)[C@@H]1CN(C)CCO1 ZINC000925570643 646339657 /nfs/dbraw/zinc/33/96/57/646339657.db2.gz KZAXWCYBIBNWPO-VWYCJHECSA-N 1 2 239.319 1.044 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000929848385 646359292 /nfs/dbraw/zinc/35/92/92/646359292.db2.gz RVLDIUFVZKLLBO-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000929848385 646359296 /nfs/dbraw/zinc/35/92/96/646359296.db2.gz RVLDIUFVZKLLBO-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO O[C@@H](CCOCc1ccccc1)Cn1cc[nH+]c1 ZINC000929865545 646365272 /nfs/dbraw/zinc/36/52/72/646365272.db2.gz GRSRDZQSONEPOG-AWEZNQCLSA-N 1 2 246.310 1.851 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)nn1 ZINC000925636369 646380913 /nfs/dbraw/zinc/38/09/13/646380913.db2.gz YDQUGEVTSUNRQP-UWVGGRQHSA-N 1 2 248.334 1.994 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000925644989 646386851 /nfs/dbraw/zinc/38/68/51/646386851.db2.gz NGBYYPLPOIFPHM-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CC[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930032756 646404583 /nfs/dbraw/zinc/40/45/83/646404583.db2.gz AIWNCWJJRFHDDQ-VIFPVBQESA-N 1 2 233.271 1.064 20 0 BDADLO c1ccc(N[C@@H]2CCOC23CCOCC3)[nH+]c1 ZINC000925718825 646443284 /nfs/dbraw/zinc/44/32/84/646443284.db2.gz NAFUOVDUSQCGMC-LLVKDONJSA-N 1 2 234.299 1.832 20 0 BDADLO CCC1(CO)CC[NH+](Cc2nncs2)CC1 ZINC000930140208 646454744 /nfs/dbraw/zinc/45/47/44/646454744.db2.gz QLKRLARYHPBLCB-UHFFFAOYSA-N 1 2 241.360 1.523 20 0 BDADLO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1c[nH+]ccc1N ZINC000925737366 646461054 /nfs/dbraw/zinc/46/10/54/646461054.db2.gz NKLBITFVIHEWQO-SECBINFHSA-N 1 2 222.336 1.272 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@H](CO)CC(F)F ZINC000926286075 646611095 /nfs/dbraw/zinc/61/10/95/646611095.db2.gz XUUGROHPCCSWQI-VDTYLAMSSA-N 1 2 235.234 1.045 20 0 BDADLO C[C@H]([NH2+]CCF)c1cn2c(n1)CCCC2 ZINC000926347599 646621792 /nfs/dbraw/zinc/62/17/92/646621792.db2.gz GHDUVMIAUKOLJQ-VIFPVBQESA-N 1 2 211.284 1.840 20 0 BDADLO FC(F)C1([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000926364234 646626473 /nfs/dbraw/zinc/62/64/73/646626473.db2.gz DUGMZRWVEAUIRF-DTWKUNHWSA-N 1 2 217.259 1.941 20 0 BDADLO CCN(C(=O)C[C@@H]([NH3+])C(F)F)C(C)C ZINC000724726289 711609756 /nfs/dbraw/zinc/60/97/56/711609756.db2.gz BSYGUOISWAOMDG-SSDOTTSWSA-N 1 2 208.252 1.226 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721547638 711622499 /nfs/dbraw/zinc/62/24/99/711622499.db2.gz AZWGMVNEQDRCTA-MXWKQRLJSA-N 1 2 243.347 1.731 20 0 BDADLO C[N@H+]1CC[C@@H]1CNC(=O)c1scnc1Cl ZINC000928565765 711779201 /nfs/dbraw/zinc/77/92/01/711779201.db2.gz MEGCHLREWNBAAJ-ZCFIWIBFSA-N 1 2 245.735 1.230 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@H]2CCO)cc1Cl ZINC000706169471 712141704 /nfs/dbraw/zinc/14/17/04/712141704.db2.gz XJYUFEQFRMWTRQ-JTQLQIEISA-N 1 2 243.738 1.420 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@H]2CCO)cc1Cl ZINC000706169471 712141705 /nfs/dbraw/zinc/14/17/05/712141705.db2.gz XJYUFEQFRMWTRQ-JTQLQIEISA-N 1 2 243.738 1.420 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC(C)(C)OC ZINC000711918304 712338794 /nfs/dbraw/zinc/33/87/94/712338794.db2.gz WMXZGBULNAFJDE-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1occc1Br ZINC000379363909 712376701 /nfs/dbraw/zinc/37/67/01/712376701.db2.gz LJKJHYLACFYAKW-ZETCQYMHSA-N 1 2 248.120 1.855 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1occc1Br ZINC000379363909 712376703 /nfs/dbraw/zinc/37/67/03/712376703.db2.gz LJKJHYLACFYAKW-ZETCQYMHSA-N 1 2 248.120 1.855 20 0 BDADLO Cc1nc([C@H](C)NC[C@H]2CC[N@@H+]2C)cs1 ZINC000712535801 712442789 /nfs/dbraw/zinc/44/27/89/712442789.db2.gz WRMTXFGXTAWHNZ-WCBMZHEXSA-N 1 2 225.361 1.806 20 0 BDADLO Cc1nc([C@H](C)NC[C@H]2CC[N@H+]2C)cs1 ZINC000712535801 712442790 /nfs/dbraw/zinc/44/27/90/712442790.db2.gz WRMTXFGXTAWHNZ-WCBMZHEXSA-N 1 2 225.361 1.806 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNCc1csc(C2CC2)n1 ZINC000712568124 712447039 /nfs/dbraw/zinc/44/70/39/712447039.db2.gz BQIWMKUVNFETSU-LLVKDONJSA-N 1 2 237.372 1.814 20 0 BDADLO C[N@H+]1CC[C@@H]1CNCc1csc(C2CC2)n1 ZINC000712568124 712447040 /nfs/dbraw/zinc/44/70/40/712447040.db2.gz BQIWMKUVNFETSU-LLVKDONJSA-N 1 2 237.372 1.814 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715410939 712517535 /nfs/dbraw/zinc/51/75/35/712517535.db2.gz BWJGHMMSHVIXSR-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715410939 712517537 /nfs/dbraw/zinc/51/75/37/712517537.db2.gz BWJGHMMSHVIXSR-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H]2CC(C)(C)CO2)n1 ZINC000717039197 712617149 /nfs/dbraw/zinc/61/71/49/712617149.db2.gz IZVPPZYRHKGSDG-VIFPVBQESA-N 1 2 239.319 1.537 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788079 712865353 /nfs/dbraw/zinc/86/53/53/712865353.db2.gz IGDDSVRNTPHMIE-GRYCIOLGSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788079 712865355 /nfs/dbraw/zinc/86/53/55/712865355.db2.gz IGDDSVRNTPHMIE-GRYCIOLGSA-N 1 2 241.331 1.439 20 0 BDADLO COc1cc[nH+]cc1NCc1n[nH]cc1C ZINC000381587224 710658608 /nfs/dbraw/zinc/65/86/08/710658608.db2.gz IAGYRDMSQCHVHZ-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO CCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001041738833 710769577 /nfs/dbraw/zinc/76/95/77/710769577.db2.gz VJHCKUGQTKXNHC-MWLCHTKSSA-N 1 2 248.330 1.136 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001046090868 710845879 /nfs/dbraw/zinc/84/58/79/710845879.db2.gz FTOWSMLXOHBEGF-GXFFZTMASA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001046090868 710845884 /nfs/dbraw/zinc/84/58/84/710845884.db2.gz FTOWSMLXOHBEGF-GXFFZTMASA-N 1 2 248.330 1.138 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000399781481 710912543 /nfs/dbraw/zinc/91/25/43/710912543.db2.gz OQFALOANIIHZEI-IVZWLZJFSA-N 1 2 220.320 1.999 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@@H](C)[C@H]2C)[nH+]cn1 ZINC000399781481 710912546 /nfs/dbraw/zinc/91/25/46/710912546.db2.gz OQFALOANIIHZEI-IVZWLZJFSA-N 1 2 220.320 1.999 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001068749980 711024406 /nfs/dbraw/zinc/02/44/06/711024406.db2.gz NWTRCCFARXIYOK-LDYMZIIASA-N 1 2 234.303 1.206 20 0 BDADLO C[C@H]([NH2+]CCC(C)(C)CO)C(=O)OC(C)(C)C ZINC000386351243 711028508 /nfs/dbraw/zinc/02/85/08/711028508.db2.gz YICXPCAQSMZOPZ-JTQLQIEISA-N 1 2 245.363 1.715 20 0 BDADLO COc1ccccc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392370797 711144368 /nfs/dbraw/zinc/14/43/68/711144368.db2.gz LCBUYQVNFPRVPQ-VIFPVBQESA-N 1 2 246.314 1.973 20 0 BDADLO Cc1nnc(CN[C@H]2CCC[N@@H+](C)C2)s1 ZINC000391821012 711140439 /nfs/dbraw/zinc/14/04/39/711140439.db2.gz SXRIKJFGCSKDEP-VIFPVBQESA-N 1 2 226.349 1.030 20 0 BDADLO Cc1nnc(CN[C@H]2CCC[N@H+](C)C2)s1 ZINC000391821012 711140442 /nfs/dbraw/zinc/14/04/42/711140442.db2.gz SXRIKJFGCSKDEP-VIFPVBQESA-N 1 2 226.349 1.030 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccc(C)nc2)s1 ZINC000391867373 711141020 /nfs/dbraw/zinc/14/10/20/711141020.db2.gz BVHORZITNGZWAQ-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CCCCSCC(=O)NOCC[NH+](C)C ZINC000393527261 711161820 /nfs/dbraw/zinc/16/18/20/711161820.db2.gz UETVZHARVHKCEV-UHFFFAOYSA-N 1 2 234.365 1.129 20 0 BDADLO C[C@@H]([NH2+]CCC1(CO)CC1)C(=O)OC(C)(C)C ZINC000395859928 711217309 /nfs/dbraw/zinc/21/73/09/711217309.db2.gz RWGOEIVHTHPQFC-SNVBAGLBSA-N 1 2 243.347 1.469 20 0 BDADLO CON(C)C(=O)C[NH2+]Cc1c(F)cccc1F ZINC000397530512 711383349 /nfs/dbraw/zinc/38/33/49/711383349.db2.gz JNQIMTKTQZHCQK-UHFFFAOYSA-N 1 2 244.241 1.074 20 0 BDADLO CC[C@@H](O)CCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000398595788 711412960 /nfs/dbraw/zinc/41/29/60/711412960.db2.gz UJPBOZICHPWVBY-GHMZBOCLSA-N 1 2 245.363 1.857 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cnc(Cl)cn1 ZINC000399270813 711426128 /nfs/dbraw/zinc/42/61/28/711426128.db2.gz WQWAJAYNLACAEV-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cnc(Cl)cn1 ZINC000399270813 711426130 /nfs/dbraw/zinc/42/61/30/711426130.db2.gz WQWAJAYNLACAEV-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO CC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001067008421 710598768 /nfs/dbraw/zinc/59/87/68/710598768.db2.gz IWRCWOKERLVNRO-KWQFWETISA-N 1 2 234.303 1.064 20 0 BDADLO C[N@H+](CCO)Cc1scnc1Cl ZINC000721922874 710692841 /nfs/dbraw/zinc/69/28/41/710692841.db2.gz QTYIFJXBJVNHPD-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO C[N@@H+](CCO)Cc1scnc1Cl ZINC000721922874 710692844 /nfs/dbraw/zinc/69/28/44/710692844.db2.gz QTYIFJXBJVNHPD-UHFFFAOYSA-N 1 2 206.698 1.221 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001038598710 710697077 /nfs/dbraw/zinc/69/70/77/710697077.db2.gz XLCAKBQJJMMTDO-BOPATIOPSA-N 1 2 242.750 1.585 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001038598710 710697078 /nfs/dbraw/zinc/69/70/78/710697078.db2.gz XLCAKBQJJMMTDO-BOPATIOPSA-N 1 2 242.750 1.585 20 0 BDADLO CC(C)(C)c1coc(C[NH2+]CCn2cncn2)n1 ZINC000724415195 710741402 /nfs/dbraw/zinc/74/14/02/710741402.db2.gz ZVPIFZZUHUABGF-UHFFFAOYSA-N 1 2 249.318 1.353 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(C)C ZINC000148475605 711043875 /nfs/dbraw/zinc/04/38/75/711043875.db2.gz QELTYNLTAFPXSX-VWYCJHECSA-N 1 2 229.320 1.341 20 0 BDADLO Cn1ncc(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000389823911 711090870 /nfs/dbraw/zinc/09/08/70/711090870.db2.gz NIVYTZOFDXLXHX-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cc1cc(NCc2cn(C)nn2)nc(C(C)C)[nH+]1 ZINC000389833348 711091227 /nfs/dbraw/zinc/09/12/27/711091227.db2.gz BXINOBVHRROONH-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnn(C(C)C)c2)[nH]1 ZINC000392421972 711147668 /nfs/dbraw/zinc/14/76/68/711147668.db2.gz QNEGFJJYQBUOOO-SECBINFHSA-N 1 2 248.334 1.741 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(O)(C(C)C)C1 ZINC000090237142 711447501 /nfs/dbraw/zinc/44/75/01/711447501.db2.gz XEJQSPGPLDYTPU-UHFFFAOYSA-N 1 2 237.347 1.667 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H](C)COC(C)C ZINC000414483721 711456611 /nfs/dbraw/zinc/45/66/11/711456611.db2.gz FQMVDLGICYBQNZ-ZYHUDNBSSA-N 1 2 243.347 1.731 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000079785049 711466434 /nfs/dbraw/zinc/46/64/34/711466434.db2.gz PJFQVNVQNDNNOO-VIFPVBQESA-N 1 2 243.738 1.276 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000079785049 711466438 /nfs/dbraw/zinc/46/64/38/711466438.db2.gz PJFQVNVQNDNNOO-VIFPVBQESA-N 1 2 243.738 1.276 20 0 BDADLO CNc1cc(N[C@@H](CO)CC(C)C)nc[nH+]1 ZINC000393375539 711469738 /nfs/dbraw/zinc/46/97/38/711469738.db2.gz KXPZXRNQMMYIGT-SECBINFHSA-N 1 2 224.308 1.337 20 0 BDADLO CNc1cc(N[C@@H](CO)CC(C)C)[nH+]cn1 ZINC000393375539 711469740 /nfs/dbraw/zinc/46/97/40/711469740.db2.gz KXPZXRNQMMYIGT-SECBINFHSA-N 1 2 224.308 1.337 20 0 BDADLO CC(=O)CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177193459 711477119 /nfs/dbraw/zinc/47/71/19/711477119.db2.gz XWXKCEXTOBJYKD-UHFFFAOYSA-N 1 2 245.326 1.984 20 0 BDADLO CC(=O)CC[N@H+](C)Cc1nc2ccccc2n1C ZINC000177193459 711477120 /nfs/dbraw/zinc/47/71/20/711477120.db2.gz XWXKCEXTOBJYKD-UHFFFAOYSA-N 1 2 245.326 1.984 20 0 BDADLO c1ccc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)[nH+]c1 ZINC000724606512 711518321 /nfs/dbraw/zinc/51/83/21/711518321.db2.gz BXPFNTZLOHYYHU-MXWKQRLJSA-N 1 2 220.272 1.297 20 0 BDADLO c1snnc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933376574 711528241 /nfs/dbraw/zinc/52/82/41/711528241.db2.gz SMWVFHAXOYVXAL-SNVBAGLBSA-N 1 2 239.344 1.729 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1cc[nH+]c(C)n1 ZINC000716874555 711586594 /nfs/dbraw/zinc/58/65/94/711586594.db2.gz VHNHWXYZDMVCSR-WPRPVWTQSA-N 1 2 209.293 1.746 20 0 BDADLO c1ccc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)[nH+]c1 ZINC000724602530 711597136 /nfs/dbraw/zinc/59/71/36/711597136.db2.gz BXPFNTZLOHYYHU-VWYCJHECSA-N 1 2 220.272 1.297 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccccc1F)C(F)F ZINC000724692698 711609329 /nfs/dbraw/zinc/60/93/29/711609329.db2.gz LHKRFROTZAGDSU-ZETCQYMHSA-N 1 2 232.205 1.747 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](CF)C1 ZINC000724776139 711611821 /nfs/dbraw/zinc/61/18/21/711611821.db2.gz XKQFRIHWSKSKAC-SNVBAGLBSA-N 1 2 211.284 1.900 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000724776139 711611819 /nfs/dbraw/zinc/61/18/19/711611819.db2.gz XKQFRIHWSKSKAC-SNVBAGLBSA-N 1 2 211.284 1.900 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000396968046 711704442 /nfs/dbraw/zinc/70/44/42/711704442.db2.gz KDOHYAUUFHUQMO-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000393879968 711749961 /nfs/dbraw/zinc/74/99/61/711749961.db2.gz PTTYYNUKKDZQSA-JMEBYUIHSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000393879968 711749962 /nfs/dbraw/zinc/74/99/62/711749962.db2.gz PTTYYNUKKDZQSA-JMEBYUIHSA-N 1 2 241.331 1.605 20 0 BDADLO CCc1cc(N[C@H]2[C@@H]3COC[C@@H]32)nc(CC)[nH+]1 ZINC000893625943 711752069 /nfs/dbraw/zinc/75/20/69/711752069.db2.gz SMRGHVRRMZUYQI-IWIIMEHWSA-N 1 2 233.315 1.658 20 0 BDADLO CSC1CC([NH2+][C@@H](C)C(=O)OC(C)C)C1 ZINC000894759646 711772111 /nfs/dbraw/zinc/77/21/11/711772111.db2.gz ZUNMTYQPESMCPU-IDKOKCKLSA-N 1 2 231.361 1.810 20 0 BDADLO CNc1cc(N2C[C@@H](O)CC(C)(C)C2)nc[nH+]1 ZINC000895030028 711774417 /nfs/dbraw/zinc/77/44/17/711774417.db2.gz DUDKBUPJXOORQM-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2C[C@@H](O)CC(C)(C)C2)[nH+]cn1 ZINC000895030028 711774418 /nfs/dbraw/zinc/77/44/18/711774418.db2.gz DUDKBUPJXOORQM-VIFPVBQESA-N 1 2 236.319 1.116 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1Cl ZINC000928565765 711779200 /nfs/dbraw/zinc/77/92/00/711779200.db2.gz MEGCHLREWNBAAJ-ZCFIWIBFSA-N 1 2 245.735 1.230 20 0 BDADLO CC/C(C)=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000835266945 711866739 /nfs/dbraw/zinc/86/67/39/711866739.db2.gz ODVSPTILWQVLAH-ZKQHCESOSA-N 1 2 241.331 1.607 20 0 BDADLO COC[C@@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)OC ZINC000353667009 711892994 /nfs/dbraw/zinc/89/29/94/711892994.db2.gz BGHOIDBYDNQYKW-MWLCHTKSSA-N 1 2 239.319 1.038 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(C)nc2)n1 ZINC000527733172 711914194 /nfs/dbraw/zinc/91/41/94/711914194.db2.gz AMLZBTWZIXYMML-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CC[C@@](C)(O)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494560 711935403 /nfs/dbraw/zinc/93/54/03/711935403.db2.gz LGKMDZWHUBAEGU-BXKDBHETSA-N 1 2 231.336 1.467 20 0 BDADLO CC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001061033420 711945937 /nfs/dbraw/zinc/94/59/37/711945937.db2.gz MXOJRTUZOFRESY-NEPJUHHUSA-N 1 2 248.330 1.644 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000450724436 711946405 /nfs/dbraw/zinc/94/64/05/711946405.db2.gz NQGFDFUSIKVSPK-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC12CCC2 ZINC000721291299 711959302 /nfs/dbraw/zinc/95/93/02/711959302.db2.gz BYZQHQCZPYRVGC-ZETCQYMHSA-N 1 2 220.276 1.422 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC12CCC2 ZINC000721291299 711959303 /nfs/dbraw/zinc/95/93/03/711959303.db2.gz BYZQHQCZPYRVGC-ZETCQYMHSA-N 1 2 220.276 1.422 20 0 BDADLO CC[C@@H](SC)C(=O)OCc1ccc[nH+]c1N ZINC000922548580 711973252 /nfs/dbraw/zinc/97/32/52/711973252.db2.gz RCCXQEXGRGAGIG-SECBINFHSA-N 1 2 240.328 1.849 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1C[C@]12CCOC2 ZINC000922612669 711974550 /nfs/dbraw/zinc/97/45/50/711974550.db2.gz BMWZNBRECOBKDD-MFKMUULPSA-N 1 2 248.282 1.134 20 0 BDADLO COc1cncc(C[NH2+][C@H](C)c2nnc(C)[nH]2)c1 ZINC000700087558 711985750 /nfs/dbraw/zinc/98/57/50/711985750.db2.gz HPMDBDSNPSQFSY-MRVPVSSYSA-N 1 2 247.302 1.368 20 0 BDADLO CCOC(C[N@@H+]1CCO[C@H](CCF)C1)OCC ZINC000700596538 711999973 /nfs/dbraw/zinc/99/99/73/711999973.db2.gz HTIKELVXDGQYTN-LLVKDONJSA-N 1 2 249.326 1.446 20 0 BDADLO CCOC(C[N@H+]1CCO[C@H](CCF)C1)OCC ZINC000700596538 711999975 /nfs/dbraw/zinc/99/99/75/711999975.db2.gz HTIKELVXDGQYTN-LLVKDONJSA-N 1 2 249.326 1.446 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000703962272 712096260 /nfs/dbraw/zinc/09/62/60/712096260.db2.gz KDVIQUNKUHPRST-RYUDHWBXSA-N 1 2 248.330 1.202 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000703962272 712096263 /nfs/dbraw/zinc/09/62/63/712096263.db2.gz KDVIQUNKUHPRST-RYUDHWBXSA-N 1 2 248.330 1.202 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H](C)O1 ZINC000703964531 712096366 /nfs/dbraw/zinc/09/63/66/712096366.db2.gz CAOJAINGCIVNLL-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@H](C)O1 ZINC000703964531 712096368 /nfs/dbraw/zinc/09/63/68/712096368.db2.gz CAOJAINGCIVNLL-GXSJLCMTSA-N 1 2 236.319 1.058 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(SC)C1 ZINC000706743167 712153484 /nfs/dbraw/zinc/15/34/84/712153484.db2.gz CIOFVEYFEXBVBA-AFPNSQJFSA-N 1 2 217.334 1.422 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)[C@@H]1CO ZINC000707137414 712165188 /nfs/dbraw/zinc/16/51/88/712165188.db2.gz OGSFZGUFOKXQEO-PSASIEDQSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)[C@@H]1CO ZINC000707137414 712165191 /nfs/dbraw/zinc/16/51/91/712165191.db2.gz OGSFZGUFOKXQEO-PSASIEDQSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1nc(Cl)cc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000707102293 712165436 /nfs/dbraw/zinc/16/54/36/712165436.db2.gz QNINLKGGTMQEIH-UHFFFAOYSA-N 1 2 249.705 1.696 20 0 BDADLO Cc1ccnc(C[NH+]2CCC3(CC2)OCCO3)n1 ZINC000707899705 712173356 /nfs/dbraw/zinc/17/33/56/712173356.db2.gz LBQBGQDPSZQOMG-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)OC ZINC000708334014 712188484 /nfs/dbraw/zinc/18/84/84/712188484.db2.gz QNCPPFXGOPKIOC-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710687548 712254117 /nfs/dbraw/zinc/25/41/17/712254117.db2.gz CFLUUTBMXSDIOV-QMMMGPOBSA-N 1 2 226.301 1.105 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710687548 712254118 /nfs/dbraw/zinc/25/41/18/712254118.db2.gz CFLUUTBMXSDIOV-QMMMGPOBSA-N 1 2 226.301 1.105 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000710975773 712271042 /nfs/dbraw/zinc/27/10/42/712271042.db2.gz JEZDJNDFUMBVSK-SNVBAGLBSA-N 1 2 242.344 1.693 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922917415 712286325 /nfs/dbraw/zinc/28/63/25/712286325.db2.gz GTWHEKRGYVKNBN-NUGNTBJXSA-N 1 2 246.310 1.999 20 0 BDADLO CC1(C)CC[C@H](C[NH2+]Cc2ccn[nH]2)OC1 ZINC000711270025 712292078 /nfs/dbraw/zinc/29/20/78/712292078.db2.gz AGHNCJANBLRAJD-LLVKDONJSA-N 1 2 223.320 1.705 20 0 BDADLO Cc1occc1C[NH2+]Cc1noc2c1COCC2 ZINC000923016285 712292096 /nfs/dbraw/zinc/29/20/96/712292096.db2.gz ZSFUIVFKXJTAHF-UHFFFAOYSA-N 1 2 248.282 1.939 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC(C)(C)OC ZINC000711918304 712338792 /nfs/dbraw/zinc/33/87/92/712338792.db2.gz WMXZGBULNAFJDE-UHFFFAOYSA-N 1 2 240.307 1.294 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1NC(=O)C1CC1 ZINC001079333665 712346977 /nfs/dbraw/zinc/34/69/77/712346977.db2.gz XIOVUBNOLQFZMM-BXKDBHETSA-N 1 2 249.314 1.021 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1NC(=O)C1CC1 ZINC001079333665 712346980 /nfs/dbraw/zinc/34/69/80/712346980.db2.gz XIOVUBNOLQFZMM-BXKDBHETSA-N 1 2 249.314 1.021 20 0 BDADLO CS(=O)(=O)[C@H]1C[C@H](Nc2cccc[nH+]2)C1 ZINC000714252860 712481308 /nfs/dbraw/zinc/48/13/08/712481308.db2.gz JPWICPBWYNXBKT-KYZUINATSA-N 1 2 226.301 1.069 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cnn(C)c2C)nn1 ZINC000714508968 712493316 /nfs/dbraw/zinc/49/33/16/712493316.db2.gz QDMVTDLFSSNVOD-UHFFFAOYSA-N 1 2 248.334 1.020 20 0 BDADLO CNc1cc(N2C[C@H]3[C@@H](C2)C3(F)F)nc[nH+]1 ZINC000715523145 712525499 /nfs/dbraw/zinc/52/54/99/712525499.db2.gz XHNPTANTNSNDFZ-KNVOCYPGSA-N 1 2 226.230 1.220 20 0 BDADLO CNc1cc(N2C[C@H]3[C@@H](C2)C3(F)F)[nH+]cn1 ZINC000715523145 712525500 /nfs/dbraw/zinc/52/55/00/712525500.db2.gz XHNPTANTNSNDFZ-KNVOCYPGSA-N 1 2 226.230 1.220 20 0 BDADLO C[C@@H](Cc1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000036994154 712528899 /nfs/dbraw/zinc/52/88/99/712528899.db2.gz IUEBXZUQCYORIG-VIFPVBQESA-N 1 2 205.261 1.724 20 0 BDADLO O=C1C[C@H](Nc2cccc[nH+]2)CN1CC1CC1 ZINC000716790780 712573666 /nfs/dbraw/zinc/57/36/66/712573666.db2.gz BASQJIYFSRNDEL-NSHDSACASA-N 1 2 231.299 1.504 20 0 BDADLO C[C@@H](CC(=O)O[C@@]1(C)CCOC1)n1cc[nH+]c1 ZINC000845559381 712607074 /nfs/dbraw/zinc/60/70/74/712607074.db2.gz CRWHKBOTSHPGFR-JQWIXIFHSA-N 1 2 238.287 1.556 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc2n(n1)CCCC2 ZINC000854442136 712614161 /nfs/dbraw/zinc/61/41/61/712614161.db2.gz HYRHCXKDJSJIDB-UHFFFAOYSA-N 1 2 245.286 1.124 20 0 BDADLO CC(C)OCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000717778015 712675621 /nfs/dbraw/zinc/67/56/21/712675621.db2.gz AXHDBAYQMYZZAK-UHFFFAOYSA-N 1 2 237.303 1.095 20 0 BDADLO CC[C@@H](O[NH+]=C(N)Cc1ccccc1C)C(N)=O ZINC000159449857 712723541 /nfs/dbraw/zinc/72/35/41/712723541.db2.gz ZACZHVJCJJJYJQ-LLVKDONJSA-N 1 2 249.314 1.090 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2C[C@H](C)CO2)n1 ZINC000718427320 712760546 /nfs/dbraw/zinc/76/05/46/712760546.db2.gz ODEATUPCMAJBIM-YUMQZZPRSA-N 1 2 211.265 1.277 20 0 BDADLO CC[C@H]([NH2+]C[C@]1(OC)CCSC1)C(=O)OC ZINC000719269520 712802527 /nfs/dbraw/zinc/80/25/27/712802527.db2.gz QKXYKMORVLOTCL-GXSJLCMTSA-N 1 2 247.360 1.050 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788080 712865414 /nfs/dbraw/zinc/86/54/14/712865414.db2.gz IGDDSVRNTPHMIE-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788080 712865416 /nfs/dbraw/zinc/86/54/16/712865416.db2.gz IGDDSVRNTPHMIE-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO CS[C@H](C)CC[N@@H+]1Cc2cncnc2C1 ZINC001208139347 957008777 /nfs/dbraw/zinc/00/87/77/957008777.db2.gz QZDGYHDLJRASCS-SECBINFHSA-N 1 2 223.345 1.934 20 0 BDADLO CS[C@H](C)CC[N@H+]1Cc2cncnc2C1 ZINC001208139347 957008784 /nfs/dbraw/zinc/00/87/84/957008784.db2.gz QZDGYHDLJRASCS-SECBINFHSA-N 1 2 223.345 1.934 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001207137865 958161931 /nfs/dbraw/zinc/16/19/31/958161931.db2.gz UGEKEOMCVZYQNO-UWVGGRQHSA-N 1 2 208.261 1.265 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001207137865 958161936 /nfs/dbraw/zinc/16/19/36/958161936.db2.gz UGEKEOMCVZYQNO-UWVGGRQHSA-N 1 2 208.261 1.265 20 0 BDADLO Cc1c[nH+]cc(Nc2cncc(N)n2)c1C ZINC001213525015 958203303 /nfs/dbraw/zinc/20/33/03/958203303.db2.gz KPRUJRMSFPCZQO-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO N#Cc1csc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398327063 958216566 /nfs/dbraw/zinc/21/65/66/958216566.db2.gz GDMRPIOKZDHFSS-UHFFFAOYSA-N 1 2 219.273 1.028 20 0 BDADLO C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1cccnc1 ZINC000724767896 959424210 /nfs/dbraw/zinc/42/42/10/959424210.db2.gz XRSWGTZMPNUPTK-IONNQARKSA-N 1 2 243.257 1.241 20 0 BDADLO CCCN(CC(F)F)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724772039 959427913 /nfs/dbraw/zinc/42/79/13/959427913.db2.gz OIDQSCYDQCBYGT-ZCFIWIBFSA-N 1 2 244.232 1.473 20 0 BDADLO OCC1C[NH+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140794552 959872970 /nfs/dbraw/zinc/87/29/70/959872970.db2.gz PFJIAOOKVNGHMU-UHFFFAOYSA-N 1 2 227.691 1.470 20 0 BDADLO Cc1nnc([C@H](C)NCc2c[nH+]cn2C)s1 ZINC000309656368 960316607 /nfs/dbraw/zinc/31/66/07/960316607.db2.gz ZMBCTDLSXLPPTE-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1nccnc1C[NH+]1CC(C(F)F)C1 ZINC001140939747 960734936 /nfs/dbraw/zinc/73/49/36/960734936.db2.gz TWBIJGFQSQDOEP-UHFFFAOYSA-N 1 2 213.231 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C(C)C)[nH]n1 ZINC001203082779 960773610 /nfs/dbraw/zinc/77/36/10/960773610.db2.gz YQABQPGOOWATDB-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C(C)C)[nH]n1 ZINC001203082779 960773647 /nfs/dbraw/zinc/77/36/47/960773647.db2.gz YQABQPGOOWATDB-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001141051614 960840500 /nfs/dbraw/zinc/84/05/00/960840500.db2.gz IRAMPEOBJDFNSN-LPEHRKFASA-N 1 2 210.252 1.773 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001141051614 960840513 /nfs/dbraw/zinc/84/05/13/960840513.db2.gz IRAMPEOBJDFNSN-LPEHRKFASA-N 1 2 210.252 1.773 20 0 BDADLO COc1nc(NC=[NH2+])ccc1Br ZINC001167868085 961358366 /nfs/dbraw/zinc/35/83/66/961358366.db2.gz QUGVNJHZQXJQPW-UHFFFAOYSA-N 1 2 230.065 1.872 20 0 BDADLO CCOC(=O)C(F)(F)C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167898321 961528734 /nfs/dbraw/zinc/52/87/34/961528734.db2.gz RNOJCRLFDMLKOW-BRPSZJMVSA-N 1 2 233.258 1.573 20 0 BDADLO COc1cc(C)c[nH+]c1NCC(C)(OC)OC ZINC001159381258 964072098 /nfs/dbraw/zinc/07/20/98/964072098.db2.gz BPMBEPGVVURDHU-UHFFFAOYSA-N 1 2 240.303 1.820 20 0 BDADLO CCc1cnc(C[NH2+]C/C=C/CNC(C)=O)o1 ZINC001482974608 964264994 /nfs/dbraw/zinc/26/49/94/964264994.db2.gz QSMFXHUBDFLQHD-SNAWJCMRSA-N 1 2 237.303 1.019 20 0 BDADLO CSc1cc(N[C@@H](CO)C(C)C)nc(C)[nH+]1 ZINC001161737731 964723135 /nfs/dbraw/zinc/72/31/35/964723135.db2.gz VFZZGNOUBKVREW-VIFPVBQESA-N 1 2 241.360 1.936 20 0 BDADLO OCC1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC000166142262 964938413 /nfs/dbraw/zinc/93/84/13/964938413.db2.gz RBWHVCXMNBEVQH-UHFFFAOYSA-N 1 2 229.682 1.903 20 0 BDADLO CC(=O)CN(C)c1[nH+]ccc2c1ccn2C ZINC001164189222 965782748 /nfs/dbraw/zinc/78/27/48/965782748.db2.gz VBVRRSVLUSSANB-UHFFFAOYSA-N 1 2 217.272 1.599 20 0 BDADLO CCCOC1CN(Cc2[nH]c[nH+]c2C)C1 ZINC001204589140 967078377 /nfs/dbraw/zinc/07/83/77/967078377.db2.gz RENDBMMLLQRFPB-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001205111539 967357354 /nfs/dbraw/zinc/35/73/54/967357354.db2.gz FJRRALSPGPRLBR-MNOVXSKESA-N 1 2 221.304 1.031 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001205111539 967357370 /nfs/dbraw/zinc/35/73/70/967357370.db2.gz FJRRALSPGPRLBR-MNOVXSKESA-N 1 2 221.304 1.031 20 0 BDADLO Nc1ccc(CCn2cc[nH+]c2)c(F)n1 ZINC001250316304 967676182 /nfs/dbraw/zinc/67/61/82/967676182.db2.gz HYAQFLDQDOWOJA-UHFFFAOYSA-N 1 2 206.224 1.242 20 0 BDADLO Cc1noc(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001250355915 967760139 /nfs/dbraw/zinc/76/01/39/967760139.db2.gz LDUFIAKWBQAPHM-UHFFFAOYSA-N 1 2 218.260 1.430 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CCC1 ZINC001163538339 968048004 /nfs/dbraw/zinc/04/80/04/968048004.db2.gz ZXBPJGWBAJYWCX-UHFFFAOYSA-N 1 2 205.261 1.559 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCCC1=O ZINC001250964242 968227109 /nfs/dbraw/zinc/22/71/09/968227109.db2.gz HIBSYVZWXIMXHM-CBAPKCEASA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCCC1=O ZINC001250964242 968227118 /nfs/dbraw/zinc/22/71/18/968227118.db2.gz HIBSYVZWXIMXHM-CBAPKCEASA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H](CCO)Nc1ccc2[nH+]cn(C)c2c1 ZINC001165905779 968303099 /nfs/dbraw/zinc/30/30/99/968303099.db2.gz QZVLAPOARJALTQ-SECBINFHSA-N 1 2 219.288 1.756 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)CC1COC1 ZINC001206863242 968505720 /nfs/dbraw/zinc/50/57/20/968505720.db2.gz ZGBSKLMMKPSRGB-UHFFFAOYSA-N 1 2 228.242 1.438 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)CC1COC1 ZINC001206863242 968505726 /nfs/dbraw/zinc/50/57/26/968505726.db2.gz ZGBSKLMMKPSRGB-UHFFFAOYSA-N 1 2 228.242 1.438 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001207139089 968646614 /nfs/dbraw/zinc/64/66/14/968646614.db2.gz JTWPWIPDCXXSLR-QWRGUYRKSA-N 1 2 221.304 1.180 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001207139089 968646623 /nfs/dbraw/zinc/64/66/23/968646623.db2.gz JTWPWIPDCXXSLR-QWRGUYRKSA-N 1 2 221.304 1.180 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2c(C)noc2C)C1 ZINC001207137668 968649216 /nfs/dbraw/zinc/64/92/16/968649216.db2.gz MJHRKFFNBJNTQL-UHFFFAOYSA-N 1 2 238.287 1.286 20 0 BDADLO Cc1ncccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001207155455 968665996 /nfs/dbraw/zinc/66/59/96/968665996.db2.gz UTBZNITXWQBKJZ-TXEJJXNPSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ncccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001207155455 968666003 /nfs/dbraw/zinc/66/60/03/968666003.db2.gz UTBZNITXWQBKJZ-TXEJJXNPSA-N 1 2 204.273 1.363 20 0 BDADLO CCCCOC[C@H](O)CNc1cc[nH+]nc1 ZINC001252499786 968756389 /nfs/dbraw/zinc/75/63/89/968756389.db2.gz BVYFEXZKTXVYAW-LLVKDONJSA-N 1 2 225.292 1.066 20 0 BDADLO CC(=O)C[N@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253352148 969137079 /nfs/dbraw/zinc/13/70/79/969137079.db2.gz YVKBUHJWIYHXMU-GFCCVEGCSA-N 1 2 243.253 1.519 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253352148 969137087 /nfs/dbraw/zinc/13/70/87/969137087.db2.gz YVKBUHJWIYHXMU-GFCCVEGCSA-N 1 2 243.253 1.519 20 0 BDADLO CC(C)(C)OC[C@H](O)CNc1cc[nH+]nc1 ZINC001253442782 969175368 /nfs/dbraw/zinc/17/53/68/969175368.db2.gz KUTXNWXBETURIN-SNVBAGLBSA-N 1 2 225.292 1.065 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001253756315 969375732 /nfs/dbraw/zinc/37/57/32/969375732.db2.gz DAOXPNAJXIOVDO-KOLCDFICSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001253756315 969375737 /nfs/dbraw/zinc/37/57/37/969375737.db2.gz DAOXPNAJXIOVDO-KOLCDFICSA-N 1 2 217.284 1.006 20 0 BDADLO COC(=O)CC[N@H+](Cc1ccon1)C1CC1 ZINC001209569084 969551587 /nfs/dbraw/zinc/55/15/87/969551587.db2.gz CTOIIXMMGWHPLC-UHFFFAOYSA-N 1 2 224.260 1.202 20 0 BDADLO COC(=O)CC[N@@H+](Cc1ccon1)C1CC1 ZINC001209569084 969551594 /nfs/dbraw/zinc/55/15/94/969551594.db2.gz CTOIIXMMGWHPLC-UHFFFAOYSA-N 1 2 224.260 1.202 20 0 BDADLO CCC(CC)([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC001254373414 969588106 /nfs/dbraw/zinc/58/81/06/969588106.db2.gz BABJCXHNDUIRQT-SNVBAGLBSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+][C@@H]1CCSC1 ZINC001255269642 970019242 /nfs/dbraw/zinc/01/92/42/970019242.db2.gz MTXSUHHSMBUJAJ-MRVPVSSYSA-N 1 2 217.334 1.423 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H](C)CCC(C)C ZINC001256352772 970741002 /nfs/dbraw/zinc/74/10/02/970741002.db2.gz KIUNTXNDAKQEQO-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1ccnc(F)c1 ZINC001226788060 975083140 /nfs/dbraw/zinc/08/31/40/975083140.db2.gz FTIOYARJRDBONA-SNVBAGLBSA-N 1 2 240.278 1.320 20 0 BDADLO C[NH+]1CC(Oc2ccc3cc[nH]c3n2)C1 ZINC001226804790 975092830 /nfs/dbraw/zinc/09/28/30/975092830.db2.gz OXYXWWVUPLKALT-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ncco1 ZINC001332433295 975116423 /nfs/dbraw/zinc/11/64/23/975116423.db2.gz FGDRSTQKCGWTCW-RQJHMYQMSA-N 1 2 220.219 1.341 20 0 BDADLO COC/C(C)=C/C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001332888080 975309862 /nfs/dbraw/zinc/30/98/62/975309862.db2.gz ZBFHVQQXTQPVEU-QRJSTWQJSA-N 1 2 225.292 1.621 20 0 BDADLO CC[C@H](O)CCCNc1cc(N(C)C)nc[nH+]1 ZINC001333708220 976020377 /nfs/dbraw/zinc/02/03/77/976020377.db2.gz VNZRNYZSGASSNE-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CC[C@H](O)CCCNc1cc(N(C)C)[nH+]cn1 ZINC001333708220 976020396 /nfs/dbraw/zinc/02/03/96/976020396.db2.gz VNZRNYZSGASSNE-JTQLQIEISA-N 1 2 238.335 1.506 20 0 BDADLO CC(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001230801851 977335831 /nfs/dbraw/zinc/33/58/31/977335831.db2.gz BGFOKUIWTSRGNC-MALLOTDXSA-N 1 2 244.766 1.928 20 0 BDADLO CC(C)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001230801851 977335846 /nfs/dbraw/zinc/33/58/46/977335846.db2.gz BGFOKUIWTSRGNC-MALLOTDXSA-N 1 2 244.766 1.928 20 0 BDADLO Nc1ccc(F)cc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001336646051 977826656 /nfs/dbraw/zinc/82/66/56/977826656.db2.gz JXBGQXJUSKUCQU-ZETCQYMHSA-N 1 2 247.220 1.329 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232157906 977898389 /nfs/dbraw/zinc/89/83/89/977898389.db2.gz DICGERFYVBMJPA-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232157906 977898392 /nfs/dbraw/zinc/89/83/92/977898392.db2.gz DICGERFYVBMJPA-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ncsc2C)C[C@@H]1OC ZINC001232204336 977924848 /nfs/dbraw/zinc/92/48/48/977924848.db2.gz LCTGJBDEQJRQLE-PHIMTYICSA-N 1 2 242.344 1.297 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ncsc2C)C[C@@H]1OC ZINC001232204336 977924859 /nfs/dbraw/zinc/92/48/59/977924859.db2.gz LCTGJBDEQJRQLE-PHIMTYICSA-N 1 2 242.344 1.297 20 0 BDADLO Cc1scnc1C[N@@H+]1CCCOCC1 ZINC001232200873 977927511 /nfs/dbraw/zinc/92/75/11/977927511.db2.gz AYFLXBNFUOIBFF-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO Cc1scnc1C[N@H+]1CCCOCC1 ZINC001232200873 977927520 /nfs/dbraw/zinc/92/75/20/977927520.db2.gz AYFLXBNFUOIBFF-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cnsc2)CCC1(F)F ZINC001232224575 977942731 /nfs/dbraw/zinc/94/27/31/977942731.db2.gz MPFSFXHGJMECBZ-VIFPVBQESA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cnsc2)CCC1(F)F ZINC001232224575 977942740 /nfs/dbraw/zinc/94/27/40/977942740.db2.gz MPFSFXHGJMECBZ-VIFPVBQESA-N 1 2 248.298 1.593 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)s1 ZINC001232242494 977971863 /nfs/dbraw/zinc/97/18/63/977971863.db2.gz LJMHJJXMQMTAJI-LDYMZIIASA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)s1 ZINC001232242494 977971880 /nfs/dbraw/zinc/97/18/80/977971880.db2.gz LJMHJJXMQMTAJI-LDYMZIIASA-N 1 2 241.360 1.439 20 0 BDADLO Cc1[nH]c(CN2CCCC(=O)[C@H](C)C2)c[nH+]1 ZINC001232458409 978083309 /nfs/dbraw/zinc/08/33/09/978083309.db2.gz IKVYETUXZRGSLJ-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]cc(CN2CCCC(=O)[C@H](C)C2)[nH+]1 ZINC001232458409 978083325 /nfs/dbraw/zinc/08/33/25/978083325.db2.gz IKVYETUXZRGSLJ-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]c(CN2CCC[C@@H](F)C(=O)C2)c[nH+]1 ZINC001232458195 978083463 /nfs/dbraw/zinc/08/34/63/978083463.db2.gz FDUUPLWYSNPNAV-SNVBAGLBSA-N 1 2 225.267 1.221 20 0 BDADLO Cc1[nH]cc(CN2CCC[C@@H](F)C(=O)C2)[nH+]1 ZINC001232458195 978083475 /nfs/dbraw/zinc/08/34/75/978083475.db2.gz FDUUPLWYSNPNAV-SNVBAGLBSA-N 1 2 225.267 1.221 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](F)C[C@H]2CF)[nH+]1 ZINC001232460726 978095246 /nfs/dbraw/zinc/09/52/46/978095246.db2.gz USRIBVVTRUXRGY-WPRPVWTQSA-N 1 2 215.247 1.600 20 0 BDADLO CCOC(=O)CCN(C)c1cc(F)cc(C)[nH+]1 ZINC001337080650 978158391 /nfs/dbraw/zinc/15/83/91/978158391.db2.gz QBACXSYVGRGBNG-UHFFFAOYSA-N 1 2 240.278 1.919 20 0 BDADLO OC1C[NH+](Cc2cccc3ncsc32)C1 ZINC001232731208 978250183 /nfs/dbraw/zinc/25/01/83/978250183.db2.gz DTLOQRSLKBESAU-UHFFFAOYSA-N 1 2 220.297 1.473 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232971209 978377365 /nfs/dbraw/zinc/37/73/65/978377365.db2.gz YEIUVWVMAAEQLW-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232971209 978377378 /nfs/dbraw/zinc/37/73/78/978377378.db2.gz YEIUVWVMAAEQLW-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO Oc1cnc(Cl)cc1C[NH+]1CCSCC1 ZINC001233035643 978417782 /nfs/dbraw/zinc/41/77/82/978417782.db2.gz GSVXNYBTPLDBOA-UHFFFAOYSA-N 1 2 244.747 1.989 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001233317724 978543422 /nfs/dbraw/zinc/54/34/22/978543422.db2.gz AMNUCKKRBWWZGE-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001233317724 978543431 /nfs/dbraw/zinc/54/34/31/978543431.db2.gz AMNUCKKRBWWZGE-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1cnsc1C[NH+]1CCN(C2CC2)CC1 ZINC001233317812 978546699 /nfs/dbraw/zinc/54/66/99/978546699.db2.gz FFEBXXGXTFZSLG-UHFFFAOYSA-N 1 2 237.372 1.732 20 0 BDADLO COC(=O)C1C[NH+](Cc2sncc2C)C1 ZINC001233318429 978551165 /nfs/dbraw/zinc/55/11/65/978551165.db2.gz CPFGKVWCMOORLP-UHFFFAOYSA-N 1 2 226.301 1.056 20 0 BDADLO CCN1CC[N@H+](Cc2sncc2C)C[C@H]1C ZINC001233323251 978564478 /nfs/dbraw/zinc/56/44/78/978564478.db2.gz MQZPOLTVYHIYNI-LLVKDONJSA-N 1 2 239.388 1.978 20 0 BDADLO CCN1CC[N@@H+](Cc2sncc2C)C[C@H]1C ZINC001233323251 978564480 /nfs/dbraw/zinc/56/44/80/978564480.db2.gz MQZPOLTVYHIYNI-LLVKDONJSA-N 1 2 239.388 1.978 20 0 BDADLO Clc1cncc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001233450025 978607429 /nfs/dbraw/zinc/60/74/29/978607429.db2.gz BXVRDEADPWSHQV-WCBMZHEXSA-N 1 2 239.706 1.351 20 0 BDADLO Clc1cncc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)n1 ZINC001233450025 978607435 /nfs/dbraw/zinc/60/74/35/978607435.db2.gz BXVRDEADPWSHQV-WCBMZHEXSA-N 1 2 239.706 1.351 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)COC(F)(F)F ZINC001339101306 978791801 /nfs/dbraw/zinc/79/18/01/978791801.db2.gz BYRJUOSGTNKBMJ-UHFFFAOYSA-N 1 2 248.204 1.595 20 0 BDADLO COc1cc(C[N@@H+]2CCCOCC2)c(F)cn1 ZINC001235321125 979023368 /nfs/dbraw/zinc/02/33/68/979023368.db2.gz RSGZUNACVNIKAT-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO COc1cc(C[N@H+]2CCCOCC2)c(F)cn1 ZINC001235321125 979023370 /nfs/dbraw/zinc/02/33/70/979023370.db2.gz RSGZUNACVNIKAT-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@@]1(F)Cl ZINC001181673125 979246216 /nfs/dbraw/zinc/24/62/16/979246216.db2.gz LSFHJDXGUVVPCW-XVKPBYJWSA-N 1 2 245.685 1.003 20 0 BDADLO Clc1nccnc1C[NH+]1CC2CC(C2)C1 ZINC001236625642 979685496 /nfs/dbraw/zinc/68/54/96/979685496.db2.gz SNZYMXIAJWKORU-UHFFFAOYSA-N 1 2 223.707 1.972 20 0 BDADLO Cc1n[nH]c(CNc2cc[nH+]c(C)n2)c1C ZINC000716449117 979721149 /nfs/dbraw/zinc/72/11/49/979721149.db2.gz YNMNUWBYCJOWGQ-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO CCOc1cncc(C[N@@H+](C)C2(C)COC2)c1 ZINC001236840984 979754700 /nfs/dbraw/zinc/75/47/00/979754700.db2.gz REABVUJOOBRSSN-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H](F)[C@@H](OC)C1 ZINC001237587633 979945192 /nfs/dbraw/zinc/94/51/92/979945192.db2.gz HDVVSUXFPKMSOI-QWRGUYRKSA-N 1 2 227.283 1.072 20 0 BDADLO CCn1c[nH+]cc1CN1CC(F)(C2CC2)C1 ZINC001237587640 979946942 /nfs/dbraw/zinc/94/69/42/979946942.db2.gz HLKJLQQDKRSXAW-UHFFFAOYSA-N 1 2 223.295 1.837 20 0 BDADLO CCc1ncc(C[N@H+](CC)C2CN(C)C2)s1 ZINC001237831597 980072847 /nfs/dbraw/zinc/07/28/47/980072847.db2.gz ZKGQLROWHLJZIL-UHFFFAOYSA-N 1 2 239.388 1.841 20 0 BDADLO C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC001607418905 980102456 /nfs/dbraw/zinc/10/24/56/980102456.db2.gz BOSPARSOMUNANO-UHFZAUJKSA-N 1 2 240.347 1.025 20 0 BDADLO Cc1sccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001237964898 980118265 /nfs/dbraw/zinc/11/82/65/980118265.db2.gz QEHPUSXDQOKIEC-UHFFFAOYSA-N 1 2 240.347 1.894 20 0 BDADLO C[N@H+]1CCO[C@H](CNC(=O)CC2(C)CCC2)C1 ZINC001185103207 980166598 /nfs/dbraw/zinc/16/65/98/980166598.db2.gz IIDWKYKBRGCATP-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO COc1cc(C[NH+]2CCC2)c(Cl)cn1 ZINC001238362349 980241767 /nfs/dbraw/zinc/24/17/67/980241767.db2.gz VILGYUWCSNCPGW-UHFFFAOYSA-N 1 2 212.680 1.949 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCSC1)n1cc[nH+]c1 ZINC001344351541 980375407 /nfs/dbraw/zinc/37/54/07/980375407.db2.gz IIZKMUYVRCFMMS-BDAKNGLRSA-N 1 2 225.317 1.066 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1F ZINC001345608919 980645161 /nfs/dbraw/zinc/64/51/61/980645161.db2.gz BLUAZPSXQRNBKC-IUCAKERBSA-N 1 2 212.224 1.304 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC(C)C)[C@H]1CCCCO1 ZINC001346438741 980839650 /nfs/dbraw/zinc/83/96/50/980839650.db2.gz QOMMIMANGWUQTM-VXGBXAGGSA-N 1 2 243.347 1.875 20 0 BDADLO CC(C)SCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001346802978 980912515 /nfs/dbraw/zinc/91/25/15/980912515.db2.gz ZLFYKHSGUSMOEO-JTQLQIEISA-N 1 2 241.360 1.702 20 0 BDADLO CCc1coc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001347279121 981030931 /nfs/dbraw/zinc/03/09/31/981030931.db2.gz PURTWCVRGGEVEO-UHFFFAOYSA-N 1 2 220.232 1.141 20 0 BDADLO CC(C(=O)NCCc1[nH+]ccn1C)=C1CCC1 ZINC001347357472 981055670 /nfs/dbraw/zinc/05/56/70/981055670.db2.gz LCPBOVZWLLEISZ-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CC(C)COC(=O)NCc1c[nH+]cn1C ZINC001193795390 981438578 /nfs/dbraw/zinc/43/85/78/981438578.db2.gz NEHUIGWAYDJMLV-UHFFFAOYSA-N 1 2 211.265 1.302 20 0 BDADLO COC(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001194803153 981904479 /nfs/dbraw/zinc/90/44/79/981904479.db2.gz UYTLMOXAPRVZGC-SECBINFHSA-N 1 2 223.276 1.930 20 0 BDADLO CC1(C)CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001350365392 981942276 /nfs/dbraw/zinc/94/22/76/981942276.db2.gz SBJXDJHQVNRRGT-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO C[C@H](C(=O)N1CC[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC001351094102 982198120 /nfs/dbraw/zinc/19/81/20/982198120.db2.gz AIJVLJHYGCNVLA-VWYCJHECSA-N 1 2 219.288 1.313 20 0 BDADLO CC(C)c1ocnc1C[N@@H+]1CC=C[C@H]1CO ZINC001352950886 982647395 /nfs/dbraw/zinc/64/73/95/982647395.db2.gz TXKBSKQCZBRZNV-JTQLQIEISA-N 1 2 222.288 1.531 20 0 BDADLO CC(C)c1ocnc1C[N@H+]1CC=C[C@H]1CO ZINC001352950886 982647404 /nfs/dbraw/zinc/64/74/04/982647404.db2.gz TXKBSKQCZBRZNV-JTQLQIEISA-N 1 2 222.288 1.531 20 0 BDADLO Cc1cnc(N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC001353228449 982789865 /nfs/dbraw/zinc/78/98/65/982789865.db2.gz PNYKWZKFCAOWCU-QMMMGPOBSA-N 1 2 206.249 1.680 20 0 BDADLO CC[N@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001201572488 983337733 /nfs/dbraw/zinc/33/77/33/983337733.db2.gz LDBLIIGZQLHQBJ-IUCAKERBSA-N 1 2 232.299 1.553 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCCC(F)(F)F ZINC001202433318 983675781 /nfs/dbraw/zinc/67/57/81/983675781.db2.gz LWNXDQUDGHLQLZ-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCCC(F)(F)F ZINC001202433318 983675788 /nfs/dbraw/zinc/67/57/88/983675788.db2.gz LWNXDQUDGHLQLZ-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172416213 974684246 /nfs/dbraw/zinc/68/42/46/974684246.db2.gz FBCCVOWGXZJCAL-QWRGUYRKSA-N 1 2 231.311 1.805 20 0 BDADLO CCOCC[C@H](C)[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172416213 974684250 /nfs/dbraw/zinc/68/42/50/974684250.db2.gz FBCCVOWGXZJCAL-QWRGUYRKSA-N 1 2 231.311 1.805 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1[C@H](C)CCOC(C)C ZINC001172443283 974802115 /nfs/dbraw/zinc/80/21/15/974802115.db2.gz MTOJQFCFLNXUCW-MNOVXSKESA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1[C@H](C)CCOC(C)C ZINC001172443283 974802120 /nfs/dbraw/zinc/80/21/20/974802120.db2.gz MTOJQFCFLNXUCW-MNOVXSKESA-N 1 2 229.320 1.437 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1CCCCC1=O ZINC001222601019 972597583 /nfs/dbraw/zinc/59/75/83/972597583.db2.gz XLUNVUYSSHGKEP-NSHDSACASA-N 1 2 208.261 1.448 20 0 BDADLO CS[C@@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327870134 972768624 /nfs/dbraw/zinc/76/86/24/972768624.db2.gz CVUOFGOYRKBHBO-SECBINFHSA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327870134 972768611 /nfs/dbraw/zinc/76/86/11/972768611.db2.gz CVUOFGOYRKBHBO-SECBINFHSA-N 1 2 226.349 1.522 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1NC(=O)C2 ZINC001243473337 970766252 /nfs/dbraw/zinc/76/62/52/970766252.db2.gz AAJVDSKXTZUWPM-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO CC[N@@H+](CC(=O)OC(C)C)C[C@@H]1CCCO1 ZINC000043447035 973174780 /nfs/dbraw/zinc/17/47/80/973174780.db2.gz OQKQZNSDJJQNOZ-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC(C)C)C[C@@H]1CCCO1 ZINC000043447035 973174784 /nfs/dbraw/zinc/17/47/84/973174784.db2.gz OQKQZNSDJJQNOZ-NSHDSACASA-N 1 2 229.320 1.439 20 0 BDADLO O=S1(=O)CCC([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001256386266 970800990 /nfs/dbraw/zinc/80/09/90/970800990.db2.gz JWBFCHYHLJJLBC-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO O=S1(=O)CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001256386266 970800996 /nfs/dbraw/zinc/80/09/96/970800996.db2.gz JWBFCHYHLJJLBC-JTQLQIEISA-N 1 2 249.351 1.388 20 0 BDADLO CSCCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001256534109 970857932 /nfs/dbraw/zinc/85/79/32/970857932.db2.gz VTBFPKQNFMIKAU-JTQLQIEISA-N 1 2 241.360 1.656 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(C2([NH+](C)C)CC2)o1 ZINC001256682378 970917850 /nfs/dbraw/zinc/91/78/50/970917850.db2.gz IVFJQDZUSFZCDB-YUMQZZPRSA-N 1 2 207.277 1.744 20 0 BDADLO C[C@H](Cc1ccncc1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001256742609 970974977 /nfs/dbraw/zinc/97/49/77/970974977.db2.gz OPJVNUZTVSBVJW-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H](Cc1ccncc1)[N@H+]1Cc2cnn(C)c2C1 ZINC001256742609 970974987 /nfs/dbraw/zinc/97/49/87/970974987.db2.gz OPJVNUZTVSBVJW-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)OC(C)C ZINC001329597589 973846834 /nfs/dbraw/zinc/84/68/34/973846834.db2.gz SPMGVYUIRRDMOV-WDEREUQCSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1nc(C2=C[NH2+]CCC2)cc(-n2cncn2)n1 ZINC001243950260 971037876 /nfs/dbraw/zinc/03/78/76/971037876.db2.gz VFJLRDBYVOZVQR-UHFFFAOYSA-N 1 2 242.286 1.090 20 0 BDADLO O=c1ocnc2ccc(C3=C[NH2+]CCC3)cc21 ZINC001243949344 971039247 /nfs/dbraw/zinc/03/92/47/971039247.db2.gz GNYICOZMTZUWEP-UHFFFAOYSA-N 1 2 228.251 1.912 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@H]3C[C@H]32)C1 ZINC001257071232 971085114 /nfs/dbraw/zinc/08/51/14/971085114.db2.gz PWWOABWSXFZJBF-KXNHARMFSA-N 1 2 239.315 1.191 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCO[C@H]3C[C@H]32)C1 ZINC001257071232 971085122 /nfs/dbraw/zinc/08/51/22/971085122.db2.gz PWWOABWSXFZJBF-KXNHARMFSA-N 1 2 239.315 1.191 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001257247096 971141631 /nfs/dbraw/zinc/14/16/31/971141631.db2.gz PQROUFLPPXJOGR-MXWKQRLJSA-N 1 2 231.336 1.467 20 0 BDADLO CCC[C@H](CC)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001257250465 971145993 /nfs/dbraw/zinc/14/59/93/971145993.db2.gz FGKLNYZZQWVABC-QWRGUYRKSA-N 1 2 245.363 1.857 20 0 BDADLO CCC[C@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001257255139 971153131 /nfs/dbraw/zinc/15/31/31/971153131.db2.gz YRJMOGJLTCIRLH-JQWIXIFHSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3cnn(C)c3C2)C1 ZINC001170553099 971158439 /nfs/dbraw/zinc/15/84/39/971158439.db2.gz FNSLNRIXPNHMDT-KOLCDFICSA-N 1 2 249.314 1.077 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3cnn(C)c3C2)C1 ZINC001170553099 971158446 /nfs/dbraw/zinc/15/84/46/971158446.db2.gz FNSLNRIXPNHMDT-KOLCDFICSA-N 1 2 249.314 1.077 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+](C)Cc1ccns1 ZINC000404600121 971175171 /nfs/dbraw/zinc/17/51/71/971175171.db2.gz HOKGHRYPZMOQFU-WEVVVXLNSA-N 1 2 240.328 1.694 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+](C)Cc1ccns1 ZINC000404600121 971175180 /nfs/dbraw/zinc/17/51/80/971175180.db2.gz HOKGHRYPZMOQFU-WEVVVXLNSA-N 1 2 240.328 1.694 20 0 BDADLO CCCC(CCC)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001257329745 971236257 /nfs/dbraw/zinc/23/62/57/971236257.db2.gz KRDSJRWQVDJLMM-PWSUYJOCSA-N 1 2 245.363 1.857 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C1CCCC1 ZINC001257350818 971260324 /nfs/dbraw/zinc/26/03/24/971260324.db2.gz UWGXLMJXKIAOCB-SCZZXKLOSA-N 1 2 215.268 1.514 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C1CCCC1 ZINC001257350818 971260328 /nfs/dbraw/zinc/26/03/28/971260328.db2.gz UWGXLMJXKIAOCB-SCZZXKLOSA-N 1 2 215.268 1.514 20 0 BDADLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCCC2)cn1 ZINC001257349118 971263332 /nfs/dbraw/zinc/26/33/32/971263332.db2.gz GBBSOMVVUBSDSK-LLVKDONJSA-N 1 2 237.303 1.041 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)[C@]12C[C@H]1CCCC2 ZINC001329949849 974052210 /nfs/dbraw/zinc/05/22/10/974052210.db2.gz FZVAWTKAODVGJM-BXUZGUMPSA-N 1 2 245.326 1.806 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+]CC(=O)OC(C)C)CCO1 ZINC000308764305 971295793 /nfs/dbraw/zinc/29/57/93/971295793.db2.gz QRUVVWAOOZGVFU-WDEREUQCSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)CCc1nnc([C@@H]2C[C@H](O)CC[NH2+]2)o1 ZINC001217696902 971333611 /nfs/dbraw/zinc/33/36/11/971333611.db2.gz SIRCDHAXEMAXJT-ZJUUUORDSA-N 1 2 239.319 1.444 20 0 BDADLO Cc1nnc([C@@H]([NH3+])[C@@H](C)OCc2ccccc2)o1 ZINC001217700616 971339381 /nfs/dbraw/zinc/33/93/81/971339381.db2.gz GCHWHIXYWQEIQZ-SKDRFNHKSA-N 1 2 247.298 1.983 20 0 BDADLO Cc1cc(-c2ccc(O)c(CO)c2)c[nH+]c1N ZINC001244776360 971432284 /nfs/dbraw/zinc/43/22/84/971432284.db2.gz OSUFRUKZAVSIQS-UHFFFAOYSA-N 1 2 230.267 1.837 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(C)n1 ZINC001203180410 971435015 /nfs/dbraw/zinc/43/50/15/971435015.db2.gz GNHRMVKAWUEWJL-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(C)n1 ZINC001203180410 971435022 /nfs/dbraw/zinc/43/50/22/971435022.db2.gz GNHRMVKAWUEWJL-LBPRGKRZSA-N 1 2 219.288 1.338 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccoc1 ZINC001133682401 971591959 /nfs/dbraw/zinc/59/19/59/971591959.db2.gz XEHRRRNOAPCCMS-UHFFFAOYSA-N 1 2 216.240 1.966 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc(Cl)cn2)C1 ZINC001225274495 974333302 /nfs/dbraw/zinc/33/33/02/974333302.db2.gz DMBGVPITFOMCOC-JTQLQIEISA-N 1 2 242.706 1.444 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc(Cl)cn2)C1 ZINC001225274495 974333310 /nfs/dbraw/zinc/33/33/10/974333310.db2.gz DMBGVPITFOMCOC-JTQLQIEISA-N 1 2 242.706 1.444 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001225276758 974341162 /nfs/dbraw/zinc/34/11/62/974341162.db2.gz FAXXQEQQHHYUBT-LBPRGKRZSA-N 1 2 222.288 1.099 20 0 BDADLO Nc1cccc(O[C@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001218272529 971670360 /nfs/dbraw/zinc/67/03/60/971670360.db2.gz MJXANNNXACKBJE-SNVBAGLBSA-N 1 2 228.242 1.645 20 0 BDADLO C[NH+]1CC(Oc2cccc3[nH]cnc32)C1 ZINC001225482734 974519741 /nfs/dbraw/zinc/51/97/41/974519741.db2.gz BAABLYYJFYQKOH-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO CCCCCOC(=O)C[NH2+][C@@H]1CCCOCC1 ZINC001170800519 971844506 /nfs/dbraw/zinc/84/45/06/971844506.db2.gz DINDUPGDLKFUHW-GFCCVEGCSA-N 1 2 243.347 1.879 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1n[nH]c2ccccc21 ZINC001135217212 971851716 /nfs/dbraw/zinc/85/17/16/971851716.db2.gz WEENEMGDMXQRTQ-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO CC(C)c1cccc(NC(=O)C2(F)C[NH2+]C2)n1 ZINC001218585066 971873880 /nfs/dbraw/zinc/87/38/80/971873880.db2.gz KWFKCFXOWDZGJP-UHFFFAOYSA-N 1 2 237.278 1.455 20 0 BDADLO C=Cc1ccc(NC(=O)C[C@H]([NH3+])C(=O)OC)cc1 ZINC001218842183 971953899 /nfs/dbraw/zinc/95/38/99/971953899.db2.gz WPOMIEPBVGBHEZ-NSHDSACASA-N 1 2 248.282 1.159 20 0 BDADLO COC(=O)Cc1ccccc1C[NH+]1CC(OC)C1 ZINC000310775440 971983389 /nfs/dbraw/zinc/98/33/89/971983389.db2.gz NPVUFSQBOQHOLB-UHFFFAOYSA-N 1 2 249.310 1.233 20 0 BDADLO Cn1cc[nH+]c1Cn1[nH]c(CC2CC2)cc1=O ZINC001245952656 972108612 /nfs/dbraw/zinc/10/86/12/972108612.db2.gz QMJUUERHALNZJR-UHFFFAOYSA-N 1 2 232.287 1.323 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)co1 ZINC000191946437 972116065 /nfs/dbraw/zinc/11/60/65/972116065.db2.gz BKIHUNRDMFXDCM-CYBMUJFWSA-N 1 2 245.282 1.723 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)co1 ZINC000191946437 972116072 /nfs/dbraw/zinc/11/60/72/972116072.db2.gz BKIHUNRDMFXDCM-CYBMUJFWSA-N 1 2 245.282 1.723 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172361429 974632153 /nfs/dbraw/zinc/63/21/53/974632153.db2.gz WGDOMXYISPHKIX-YFKTTZPYSA-N 1 2 243.347 1.325 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1ccc(N(C)C)c[nH+]1 ZINC000192630705 972156852 /nfs/dbraw/zinc/15/68/52/972156852.db2.gz KGVHJQYPEHCJBB-JQWIXIFHSA-N 1 2 235.331 1.985 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)Nc3cc[nH]n3)ccn12 ZINC001136507011 972192846 /nfs/dbraw/zinc/19/28/46/972192846.db2.gz QICMUQYLUVPLNF-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO Cc1cccc(-c2nnc([C@@H]([NH3+])CO)o2)c1 ZINC000396447256 956871055 /nfs/dbraw/zinc/87/10/55/956871055.db2.gz DEFQDLBKCPNIFY-VIFPVBQESA-N 1 2 219.244 1.037 20 0 BDADLO CO[C@](C)([C@@H](C)[NH2+]CC(=O)OC(C)C)C1CC1 ZINC001345042973 957055787 /nfs/dbraw/zinc/05/57/87/957055787.db2.gz ODJJVKSNPCSYEY-ZWNOBZJWSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCC1CC1 ZINC001208679741 957117928 /nfs/dbraw/zinc/11/79/28/957117928.db2.gz TZEUJEQJKXVLHP-ZJUUUORDSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCC1CC1 ZINC001208679741 957117937 /nfs/dbraw/zinc/11/79/37/957117937.db2.gz TZEUJEQJKXVLHP-ZJUUUORDSA-N 1 2 215.268 1.372 20 0 BDADLO COC(=O)[C@H](C)N(C)c1[nH+]ccc2c1ccn2C ZINC001167112867 957389810 /nfs/dbraw/zinc/38/98/10/957389810.db2.gz GWKWDXAMDFKWLS-VIFPVBQESA-N 1 2 247.298 1.571 20 0 BDADLO CN1C[C@@H](Nc2cc3cc[nH]c3c[nH+]2)CCC1=O ZINC001167234637 957564559 /nfs/dbraw/zinc/56/45/59/957564559.db2.gz HMQJLSIPUQOHFB-JTQLQIEISA-N 1 2 244.298 1.596 20 0 BDADLO O=C1CCCC2(CC[NH+](Cc3cnc[nH]3)CC2)N1 ZINC001136868605 972282893 /nfs/dbraw/zinc/28/28/93/972282893.db2.gz LTPFDEZNFJBITM-UHFFFAOYSA-N 1 2 248.330 1.044 20 0 BDADLO C[C@H](OCC[NH+]1CCOCC1)c1ccccn1 ZINC001210206222 957672079 /nfs/dbraw/zinc/67/20/79/957672079.db2.gz AINNXLDFNZIEOH-LBPRGKRZSA-N 1 2 236.315 1.491 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1cn3ccccc3n1)C2 ZINC001136876279 972290023 /nfs/dbraw/zinc/29/00/23/972290023.db2.gz XDXLSSUADOPYMQ-UHFFFAOYSA-N 1 2 243.310 1.291 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000706318536 957759765 /nfs/dbraw/zinc/75/97/65/957759765.db2.gz PKQJRHMXKHPTSO-QMMMGPOBSA-N 1 2 221.247 1.525 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000706318536 957759770 /nfs/dbraw/zinc/75/97/70/957759770.db2.gz PKQJRHMXKHPTSO-QMMMGPOBSA-N 1 2 221.247 1.525 20 0 BDADLO COc1cc(Nc2cc(C)[nH+]c(OC)c2)ncn1 ZINC001210777061 957874148 /nfs/dbraw/zinc/87/41/48/957874148.db2.gz VJRYTJOPCDEZDU-UHFFFAOYSA-N 1 2 246.270 1.941 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC001136955849 972303023 /nfs/dbraw/zinc/30/30/23/972303023.db2.gz PWYZVGPPPYLMEW-KOLCDFICSA-N 1 2 235.331 1.908 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H](C)N1CCO ZINC000824926733 972304437 /nfs/dbraw/zinc/30/44/37/972304437.db2.gz QWMAXLKXNZARCH-TXEJJXNPSA-N 1 2 238.331 1.167 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@H](C)N1CCO ZINC000824926733 972304440 /nfs/dbraw/zinc/30/44/40/972304440.db2.gz QWMAXLKXNZARCH-TXEJJXNPSA-N 1 2 238.331 1.167 20 0 BDADLO C[N@H+](Cc1cncc(Cl)c1)C1(C)COC1 ZINC001136995321 972312635 /nfs/dbraw/zinc/31/26/35/972312635.db2.gz DAGMUXJDHUEFNF-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1cncc(Cl)c1)C1(C)COC1 ZINC001136995321 972312638 /nfs/dbraw/zinc/31/26/38/972312638.db2.gz DAGMUXJDHUEFNF-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO Nc1ccc(Nc2cc(N)c(O)cc2O)c[nH+]1 ZINC001211020761 957985760 /nfs/dbraw/zinc/98/57/60/957985760.db2.gz AWTYEBPEXVBSHD-UHFFFAOYSA-N 1 2 232.243 1.401 20 0 BDADLO OCC1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000236479581 958061308 /nfs/dbraw/zinc/06/13/08/958061308.db2.gz FJALQLJHYLJOSO-UHFFFAOYSA-N 1 2 229.682 1.903 20 0 BDADLO O[C@H]1C[N@H+](Cc2nccs2)CC[C@H]1F ZINC001204544835 958123428 /nfs/dbraw/zinc/12/34/28/958123428.db2.gz JLBSVNLBFFYZIB-SFYZADRCSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@H]1C[N@@H+](Cc2nccs2)CC[C@H]1F ZINC001204544835 958123433 /nfs/dbraw/zinc/12/34/33/958123433.db2.gz JLBSVNLBFFYZIB-SFYZADRCSA-N 1 2 216.281 1.048 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCCC(=O)CC1 ZINC001207134235 958136845 /nfs/dbraw/zinc/13/68/45/958136845.db2.gz IYBOAEFXOBIYKV-UHFFFAOYSA-N 1 2 222.288 1.846 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCCC(=O)CC1 ZINC001207134235 958136849 /nfs/dbraw/zinc/13/68/49/958136849.db2.gz IYBOAEFXOBIYKV-UHFFFAOYSA-N 1 2 222.288 1.846 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001207147736 958217355 /nfs/dbraw/zinc/21/73/55/958217355.db2.gz IZOFGFREIZBCPD-LBPRGKRZSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001207147736 958217369 /nfs/dbraw/zinc/21/73/69/958217369.db2.gz IZOFGFREIZBCPD-LBPRGKRZSA-N 1 2 236.290 1.893 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3[nH]cnc3c2)C[C@H]1F ZINC001137041035 972338490 /nfs/dbraw/zinc/33/84/90/972338490.db2.gz FWBWHVBSBATNNQ-ZWNOBZJWSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3nc[nH]c3c2)C[C@H]1F ZINC001137041035 972338493 /nfs/dbraw/zinc/33/84/93/972338493.db2.gz FWBWHVBSBATNNQ-ZWNOBZJWSA-N 1 2 249.289 1.468 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001207163012 958268001 /nfs/dbraw/zinc/26/80/01/958268001.db2.gz JEBZKYHRPKYTJP-ZMLRMANQSA-N 1 2 221.279 1.575 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001207163012 958268011 /nfs/dbraw/zinc/26/80/11/958268011.db2.gz JEBZKYHRPKYTJP-ZMLRMANQSA-N 1 2 221.279 1.575 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3nc[nH]c3c2)C[C@H]1F ZINC001137041035 972338496 /nfs/dbraw/zinc/33/84/96/972338496.db2.gz FWBWHVBSBATNNQ-ZWNOBZJWSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3[nH]cnc3c2)C[C@H]1F ZINC001137041035 972338487 /nfs/dbraw/zinc/33/84/87/972338487.db2.gz FWBWHVBSBATNNQ-ZWNOBZJWSA-N 1 2 249.289 1.468 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041359 972340740 /nfs/dbraw/zinc/34/07/40/972340740.db2.gz ZSHDBRYOSZFYEQ-GXFFZTMASA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041359 972340744 /nfs/dbraw/zinc/34/07/44/972340744.db2.gz ZSHDBRYOSZFYEQ-GXFFZTMASA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041359 972340746 /nfs/dbraw/zinc/34/07/46/972340746.db2.gz ZSHDBRYOSZFYEQ-GXFFZTMASA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041359 972340749 /nfs/dbraw/zinc/34/07/49/972340749.db2.gz ZSHDBRYOSZFYEQ-GXFFZTMASA-N 1 2 249.289 1.732 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041034 972340950 /nfs/dbraw/zinc/34/09/50/972340950.db2.gz FWBWHVBSBATNNQ-GXFFZTMASA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041034 972340954 /nfs/dbraw/zinc/34/09/54/972340954.db2.gz FWBWHVBSBATNNQ-GXFFZTMASA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041034 972340958 /nfs/dbraw/zinc/34/09/58/972340958.db2.gz FWBWHVBSBATNNQ-GXFFZTMASA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041034 972340961 /nfs/dbraw/zinc/34/09/61/972340961.db2.gz FWBWHVBSBATNNQ-GXFFZTMASA-N 1 2 249.289 1.468 20 0 BDADLO COc1ccncc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421012764 972356373 /nfs/dbraw/zinc/35/63/73/972356373.db2.gz FRHWJUNTJFLKBQ-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccncc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421012764 972356380 /nfs/dbraw/zinc/35/63/80/972356380.db2.gz FRHWJUNTJFLKBQ-ZDUSSCGKSA-N 1 2 234.299 1.455 20 0 BDADLO C[C@H](OCCn1cc[nH+]c1)c1ncccn1 ZINC001222129994 972376348 /nfs/dbraw/zinc/37/63/48/972376348.db2.gz WCNXUAPUSYRVRQ-JTQLQIEISA-N 1 2 218.260 1.451 20 0 BDADLO Nc1cnc(NCc2cc[nH+]c(N)c2)c(F)c1 ZINC001167612686 959063575 /nfs/dbraw/zinc/06/35/75/959063575.db2.gz FOCKYMPWKOGNNU-UHFFFAOYSA-N 1 2 233.250 1.392 20 0 BDADLO Nc1cc(CNc2cnc(C3CC3)nc2)cc[nH+]1 ZINC001167617012 959085020 /nfs/dbraw/zinc/08/50/20/959085020.db2.gz FCIALMBVSNOPEL-UHFFFAOYSA-N 1 2 241.298 1.943 20 0 BDADLO CC(=O)CNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001167627616 959116291 /nfs/dbraw/zinc/11/62/91/959116291.db2.gz NZSVKNCQXKMQMQ-UHFFFAOYSA-N 1 2 233.193 1.684 20 0 BDADLO CC1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000724709483 959284790 /nfs/dbraw/zinc/28/47/90/959284790.db2.gz YDECSVHVWHNWFR-QMMMGPOBSA-N 1 2 220.263 1.227 20 0 BDADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](O)C2)c1F ZINC001143970313 972439302 /nfs/dbraw/zinc/43/93/02/972439302.db2.gz HTLDKUNKLZWCSR-MRVPVSSYSA-N 1 2 243.253 1.540 20 0 BDADLO COc1ccc(F)c(C[N@H+]2CC[C@@H](O)C2)c1F ZINC001143970313 972439305 /nfs/dbraw/zinc/43/93/05/972439305.db2.gz HTLDKUNKLZWCSR-MRVPVSSYSA-N 1 2 243.253 1.540 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1csc(C)c1 ZINC000309184155 959734000 /nfs/dbraw/zinc/73/40/00/959734000.db2.gz GLUSCLUDUVMTNZ-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CC=CC=CC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001144001357 972471549 /nfs/dbraw/zinc/47/15/49/972471549.db2.gz UWGJOEGENJVOAJ-VNKDHWASSA-N 1 2 219.288 1.509 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cccc(N)n2)CCO1 ZINC000708879907 960012563 /nfs/dbraw/zinc/01/25/63/960012563.db2.gz HTBUWPQPRPLMDJ-GFCCVEGCSA-N 1 2 235.331 1.521 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cccc(N)n2)CCO1 ZINC000708879907 960012573 /nfs/dbraw/zinc/01/25/73/960012573.db2.gz HTBUWPQPRPLMDJ-GFCCVEGCSA-N 1 2 235.331 1.521 20 0 BDADLO CC[C@@H]1CC[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000309687781 960027202 /nfs/dbraw/zinc/02/72/02/960027202.db2.gz HXTZHNFKANJBNX-ZNSHCXBVSA-N 1 2 229.320 1.077 20 0 BDADLO C[N@H+](CCC=Cc1cccnc1)Cc1cnn[nH]1 ZINC001203208619 960115785 /nfs/dbraw/zinc/11/57/85/960115785.db2.gz ZAZQOJKRSLURAR-GORDUTHDSA-N 1 2 243.314 1.735 20 0 BDADLO C[N@@H+](CCC=Cc1cccnc1)Cc1cnn[nH]1 ZINC001203208619 960115796 /nfs/dbraw/zinc/11/57/96/960115796.db2.gz ZAZQOJKRSLURAR-GORDUTHDSA-N 1 2 243.314 1.735 20 0 BDADLO C[N@H+](CCC=Cc1cccnc1)Cc1c[nH]nn1 ZINC001203208619 960115806 /nfs/dbraw/zinc/11/58/06/960115806.db2.gz ZAZQOJKRSLURAR-GORDUTHDSA-N 1 2 243.314 1.735 20 0 BDADLO C[N@@H+](CCC=Cc1cccnc1)Cc1c[nH]nn1 ZINC001203208619 960115811 /nfs/dbraw/zinc/11/58/11/960115811.db2.gz ZAZQOJKRSLURAR-GORDUTHDSA-N 1 2 243.314 1.735 20 0 BDADLO COC(=O)C1(Nc2c[nH+]cn2C)CCCC1 ZINC001167714062 960138377 /nfs/dbraw/zinc/13/83/77/960138377.db2.gz HFJRSUBBHGUBKK-UHFFFAOYSA-N 1 2 223.276 1.318 20 0 BDADLO CCCC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001267635987 960150838 /nfs/dbraw/zinc/15/08/38/960150838.db2.gz OYZLPNHCQOGPHG-UHFFFAOYSA-N 1 2 210.321 1.553 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3ncco3)C2)no1 ZINC001141004296 960182953 /nfs/dbraw/zinc/18/29/53/960182953.db2.gz AOIJJVCBGKTUJS-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ncco3)C2)no1 ZINC001141004296 960182962 /nfs/dbraw/zinc/18/29/62/960182962.db2.gz AOIJJVCBGKTUJS-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1ncco1 ZINC001141007190 960186755 /nfs/dbraw/zinc/18/67/55/960186755.db2.gz AVZYJVZTTDCPRK-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1ncco1 ZINC001141007190 960186761 /nfs/dbraw/zinc/18/67/61/960186761.db2.gz AVZYJVZTTDCPRK-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2ncco2)CC12CC2 ZINC001141012644 960199035 /nfs/dbraw/zinc/19/90/35/960199035.db2.gz UHCCCTKXFWUGCR-SECBINFHSA-N 1 2 236.271 1.060 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2ncco2)CC12CC2 ZINC001141012644 960199040 /nfs/dbraw/zinc/19/90/40/960199040.db2.gz UHCCCTKXFWUGCR-SECBINFHSA-N 1 2 236.271 1.060 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141047798 960258052 /nfs/dbraw/zinc/25/80/52/960258052.db2.gz SXGPSLXONNKLMT-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccn2ccnc2c1 ZINC001141047798 960258055 /nfs/dbraw/zinc/25/80/55/960258055.db2.gz SXGPSLXONNKLMT-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCCN1Cc1ccn2cc[nH+]c2c1 ZINC001141047798 960258056 /nfs/dbraw/zinc/25/80/56/960258056.db2.gz SXGPSLXONNKLMT-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ncon2)c1 ZINC001353341261 960263788 /nfs/dbraw/zinc/26/37/88/960263788.db2.gz SCLZBPAEZQEUFS-PWSUYJOCSA-N 1 2 247.298 1.762 20 0 BDADLO Cc1oc(C(=O)[O-])cc1C[NH2+]CCC[NH+](C)C ZINC000232443023 960273343 /nfs/dbraw/zinc/27/33/43/960273343.db2.gz FDNBDHRSVHFNMY-UHFFFAOYSA-N 1 2 240.303 1.328 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(Cl)ncc2F)C[C@@H]1O ZINC001140605869 960449034 /nfs/dbraw/zinc/44/90/34/960449034.db2.gz NSDXZISNLBJNNO-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(Cl)ncc2F)C[C@@H]1O ZINC001140605869 960449038 /nfs/dbraw/zinc/44/90/38/960449038.db2.gz NSDXZISNLBJNNO-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140605692 960453829 /nfs/dbraw/zinc/45/38/29/960453829.db2.gz INCVQXZUDPSSRR-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO O=C1C[N@H+](Cc2cccc3ccncc32)CCN1 ZINC001140640564 960471106 /nfs/dbraw/zinc/47/11/06/960471106.db2.gz PNBNFIJDMLGJKO-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3ccncc32)CCN1 ZINC001140640564 960471112 /nfs/dbraw/zinc/47/11/12/960471112.db2.gz PNBNFIJDMLGJKO-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO COc1ccc(C[NH+]2CC(O)C2)c(C)c1 ZINC001140675374 960486398 /nfs/dbraw/zinc/48/63/98/960486398.db2.gz KVYYQLZXTVMLQE-UHFFFAOYSA-N 1 2 207.273 1.180 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3ncccc3C2)o1 ZINC001140682372 960488801 /nfs/dbraw/zinc/48/88/01/960488801.db2.gz ZKURYMCNVUZHJY-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3ncccc3C2)o1 ZINC001140682372 960488813 /nfs/dbraw/zinc/48/88/13/960488813.db2.gz ZKURYMCNVUZHJY-UHFFFAOYSA-N 1 2 244.294 1.725 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(CO)o1)C2 ZINC001140682865 960490448 /nfs/dbraw/zinc/49/04/48/960490448.db2.gz MEBWAFMMPFILOJ-GWCFXTLKSA-N 1 2 237.299 1.525 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(CO)o1)C2 ZINC001140682865 960490457 /nfs/dbraw/zinc/49/04/57/960490457.db2.gz MEBWAFMMPFILOJ-GWCFXTLKSA-N 1 2 237.299 1.525 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]1C1CC1 ZINC001141261605 960539038 /nfs/dbraw/zinc/53/90/38/960539038.db2.gz DKRFSPQRZIAPHF-AAEUAGOBSA-N 1 2 245.326 1.456 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+]1CCOCC12CC2 ZINC001203063712 960556721 /nfs/dbraw/zinc/55/67/21/960556721.db2.gz YRXOAXGZUPDQOM-UHFFFAOYSA-N 1 2 235.331 1.402 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+]1CCOCC12CC2 ZINC001203063712 960556735 /nfs/dbraw/zinc/55/67/35/960556735.db2.gz YRXOAXGZUPDQOM-UHFFFAOYSA-N 1 2 235.331 1.402 20 0 BDADLO CC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000212048950 960587259 /nfs/dbraw/zinc/58/72/59/960587259.db2.gz CKTUFJPUBJCHOJ-LBPRGKRZSA-N 1 2 238.718 1.833 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)CC[C@H]2C)n[nH]1 ZINC001203069891 960611629 /nfs/dbraw/zinc/61/16/29/960611629.db2.gz DRAAEVFYUKDJLI-GHMZBOCLSA-N 1 2 223.320 1.311 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)n[nH]1 ZINC001203069891 960611633 /nfs/dbraw/zinc/61/16/33/960611633.db2.gz DRAAEVFYUKDJLI-GHMZBOCLSA-N 1 2 223.320 1.311 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2c[nH]nn2)[C@H]2CCCO[C@H]21 ZINC000398356220 960651880 /nfs/dbraw/zinc/65/18/80/960651880.db2.gz HWUAVRZUPHFOTJ-GMTAPVOTSA-N 1 2 236.319 1.098 20 0 BDADLO CC1(C)[C@H]([NH2+]Cc2cn[nH]n2)[C@H]2CCCO[C@H]21 ZINC000398356220 960651886 /nfs/dbraw/zinc/65/18/86/960651886.db2.gz HWUAVRZUPHFOTJ-GMTAPVOTSA-N 1 2 236.319 1.098 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCCC12COC2 ZINC001140937693 960727700 /nfs/dbraw/zinc/72/77/00/960727700.db2.gz VBUZIZLKNPOLAJ-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1nccnc1C[N@H+]1CCCC12COC2 ZINC001140937693 960727716 /nfs/dbraw/zinc/72/77/16/960727716.db2.gz VBUZIZLKNPOLAJ-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO C[C@]1(CO)CCC[N@H+](Cc2csnn2)CC1 ZINC001140992541 960780168 /nfs/dbraw/zinc/78/01/68/960780168.db2.gz IDWDWOFBUFLSDJ-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO C[C@]1(CO)CCC[N@@H+](Cc2csnn2)CC1 ZINC001140992541 960780187 /nfs/dbraw/zinc/78/01/87/960780187.db2.gz IDWDWOFBUFLSDJ-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncco1 ZINC001141004087 960802493 /nfs/dbraw/zinc/80/24/93/960802493.db2.gz RMCXSGZDXXQEFU-DTORHVGOSA-N 1 2 206.245 1.371 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncco1 ZINC001141004087 960802495 /nfs/dbraw/zinc/80/24/95/960802495.db2.gz RMCXSGZDXXQEFU-DTORHVGOSA-N 1 2 206.245 1.371 20 0 BDADLO COC(=O)C1(C)CC[NH+](Cc2ncco2)CC1 ZINC001141007513 960807399 /nfs/dbraw/zinc/80/73/99/960807399.db2.gz PSIPXTGBWXQKIK-UHFFFAOYSA-N 1 2 238.287 1.450 20 0 BDADLO FC1CN(C2CC[NH+](Cc3ncco3)CC2)C1 ZINC001141007251 960809046 /nfs/dbraw/zinc/80/90/46/960809046.db2.gz DTDHGRKMXMAPDY-UHFFFAOYSA-N 1 2 239.294 1.293 20 0 BDADLO O=C1CC[N@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@H]12 ZINC001203086211 960809513 /nfs/dbraw/zinc/80/95/13/960809513.db2.gz NVQIELNTRXSVKY-NWDGAFQWSA-N 1 2 233.315 1.743 20 0 BDADLO O=C1CC[N@@H+](Cc2cn[nH]c2)[C@@H]2CCCC[C@H]12 ZINC001203086211 960809514 /nfs/dbraw/zinc/80/95/14/960809514.db2.gz NVQIELNTRXSVKY-NWDGAFQWSA-N 1 2 233.315 1.743 20 0 BDADLO FC1(F)CO[C@@]2(CC[N@H+](Cc3ncco3)C2)C1 ZINC001141011353 960816789 /nfs/dbraw/zinc/81/67/89/960816789.db2.gz ZIJNFPZMNGRHDV-JTQLQIEISA-N 1 2 244.241 1.675 20 0 BDADLO FC1(F)CO[C@@]2(CC[N@@H+](Cc3ncco3)C2)C1 ZINC001141011353 960816793 /nfs/dbraw/zinc/81/67/93/960816793.db2.gz ZIJNFPZMNGRHDV-JTQLQIEISA-N 1 2 244.241 1.675 20 0 BDADLO c1cn2ccc(CN3CCCO3)cc2[nH+]1 ZINC001141047891 960836432 /nfs/dbraw/zinc/83/64/32/960836432.db2.gz WDKBFCZWWRLLFX-UHFFFAOYSA-N 1 2 203.245 1.472 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn3ccnc3c2)[C@@H](C)CO1 ZINC001141049761 960838803 /nfs/dbraw/zinc/83/88/03/960838803.db2.gz RWGSUMLWTRQVLF-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn3ccnc3c2)[C@@H](C)CO1 ZINC001141049761 960838815 /nfs/dbraw/zinc/83/88/15/960838815.db2.gz RWGSUMLWTRQVLF-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ocnc1C ZINC001141057923 960852201 /nfs/dbraw/zinc/85/22/01/960852201.db2.gz OPAPMUVCGARBMR-JTQLQIEISA-N 1 2 208.261 1.536 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ocnc1C ZINC001141057923 960852219 /nfs/dbraw/zinc/85/22/19/960852219.db2.gz OPAPMUVCGARBMR-JTQLQIEISA-N 1 2 208.261 1.536 20 0 BDADLO CCCCc1[nH]c(CN2CCC(=O)CC2)c[nH+]1 ZINC001141067436 960857509 /nfs/dbraw/zinc/85/75/09/960857509.db2.gz CBHMLWMZGMPBSE-UHFFFAOYSA-N 1 2 235.331 1.917 20 0 BDADLO CCCCc1[nH]cc(CN2CCC(=O)CC2)[nH+]1 ZINC001141067436 960857516 /nfs/dbraw/zinc/85/75/16/960857516.db2.gz CBHMLWMZGMPBSE-UHFFFAOYSA-N 1 2 235.331 1.917 20 0 BDADLO CC[N@H+](CCCC(=O)OC)Cc1cocn1 ZINC001141126162 960872989 /nfs/dbraw/zinc/87/29/89/960872989.db2.gz AUHBSVXXWUXHSW-UHFFFAOYSA-N 1 2 226.276 1.450 20 0 BDADLO CC[N@@H+](CCCC(=O)OC)Cc1cocn1 ZINC001141126162 960872991 /nfs/dbraw/zinc/87/29/91/960872991.db2.gz AUHBSVXXWUXHSW-UHFFFAOYSA-N 1 2 226.276 1.450 20 0 BDADLO O=C1CCC[C@]2(CCC[N@H+](Cc3cocn3)C2)N1 ZINC001141128353 960877139 /nfs/dbraw/zinc/87/71/39/960877139.db2.gz HLEFYRLKUODDTO-CYBMUJFWSA-N 1 2 249.314 1.309 20 0 BDADLO O=C1CCC[C@]2(CCC[N@@H+](Cc3cocn3)C2)N1 ZINC001141128353 960877144 /nfs/dbraw/zinc/87/71/44/960877144.db2.gz HLEFYRLKUODDTO-CYBMUJFWSA-N 1 2 249.314 1.309 20 0 BDADLO FC1(F)CSC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001203097118 960885464 /nfs/dbraw/zinc/88/54/64/960885464.db2.gz XQXQCWYLBOFSFS-UHFFFAOYSA-N 1 2 245.298 1.736 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC12CCOCC2 ZINC001141160696 960896095 /nfs/dbraw/zinc/89/60/95/960896095.db2.gz BCKCSVDRHJPGHI-SNVBAGLBSA-N 1 2 249.314 1.028 20 0 BDADLO COc1c(F)cccc1C[NH+]1CC(C)(CO)C1 ZINC001143522291 960901996 /nfs/dbraw/zinc/90/19/96/960901996.db2.gz SSNBVIPTPIFHRW-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO Clc1ccc(C[NH+]2CC(C3COC3)C2)nn1 ZINC001142056437 961236436 /nfs/dbraw/zinc/23/64/36/961236436.db2.gz UGWZGXSNXZYSHZ-UHFFFAOYSA-N 1 2 239.706 1.208 20 0 BDADLO CC1(C)c2cnc(NC=[NH2+])cc2NC1=O ZINC001167864295 961333292 /nfs/dbraw/zinc/33/32/92/961333292.db2.gz LBUNYZGRTYBKHX-UHFFFAOYSA-N 1 2 204.233 1.330 20 0 BDADLO CC(C)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001142704210 961658046 /nfs/dbraw/zinc/65/80/46/961658046.db2.gz QNSANCWGTVFMKH-UHFFFAOYSA-N 1 2 218.300 1.977 20 0 BDADLO FC1CN(Cc2cccn3cc[nH+]c23)C1 ZINC001142944456 961845297 /nfs/dbraw/zinc/84/52/97/961845297.db2.gz LFGRJSGIUZDGER-UHFFFAOYSA-N 1 2 205.236 1.488 20 0 BDADLO c1cn2cccc(C[NH+]3CCOCC3)c2n1 ZINC001142948522 961849297 /nfs/dbraw/zinc/84/92/97/961849297.db2.gz CQLGQWCSKCKUCO-UHFFFAOYSA-N 1 2 217.272 1.167 20 0 BDADLO C[C@H]1CN(Cc2ccc3[nH+]ccn3c2)CCC1=O ZINC001143018879 961863610 /nfs/dbraw/zinc/86/36/10/961863610.db2.gz OSXVFVROHLQDCR-NSHDSACASA-N 1 2 243.310 1.745 20 0 BDADLO FC1(F)CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143018176 961865706 /nfs/dbraw/zinc/86/57/06/961865706.db2.gz HBVPJRBKIKXEKA-UHFFFAOYSA-N 1 2 223.226 1.785 20 0 BDADLO C[C@H]1COCCN1Cc1ccc2[nH+]ccn2c1 ZINC001143017921 961865847 /nfs/dbraw/zinc/86/58/47/961865847.db2.gz BMJYFOHFUJVHDK-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2nccn2c1 ZINC001143017921 961865849 /nfs/dbraw/zinc/86/58/49/961865849.db2.gz BMJYFOHFUJVHDK-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2nccn2c1 ZINC001143017921 961865852 /nfs/dbraw/zinc/86/58/52/961865852.db2.gz BMJYFOHFUJVHDK-NSHDSACASA-N 1 2 231.299 1.555 20 0 BDADLO C[N@H+](CCF)Cc1ccc2nccn2c1 ZINC001143032894 961870979 /nfs/dbraw/zinc/87/09/79/961870979.db2.gz VBIJTBBRKKUVLM-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO C[N@@H+](CCF)Cc1ccc2nccn2c1 ZINC001143032894 961870980 /nfs/dbraw/zinc/87/09/80/961870980.db2.gz VBIJTBBRKKUVLM-UHFFFAOYSA-N 1 2 207.252 1.736 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC3(CC3)C2)c(N)n1 ZINC001143206350 961944571 /nfs/dbraw/zinc/94/45/71/961944571.db2.gz DTLKITAWJODQHT-UHFFFAOYSA-N 1 2 233.315 1.337 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC3(CC3)C2)c(N)n1 ZINC001143206350 961944574 /nfs/dbraw/zinc/94/45/74/961944574.db2.gz DTLKITAWJODQHT-UHFFFAOYSA-N 1 2 233.315 1.337 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc3cccnc3[nH]2)C[C@@H]1F ZINC001143216259 961948843 /nfs/dbraw/zinc/94/88/43/961948843.db2.gz ALGVFTSEFRFZHK-NWDGAFQWSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc3cccnc3[nH]2)C[C@@H]1F ZINC001143216259 961948855 /nfs/dbraw/zinc/94/88/55/961948855.db2.gz ALGVFTSEFRFZHK-NWDGAFQWSA-N 1 2 249.289 1.732 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3cccnc3[nH]2)CCO1 ZINC001143216975 961949142 /nfs/dbraw/zinc/94/91/42/961949142.db2.gz OQYPULIDHWXXHM-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3cccnc3[nH]2)CCO1 ZINC001143216975 961949160 /nfs/dbraw/zinc/94/91/60/961949160.db2.gz OQYPULIDHWXXHM-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO COc1ccccc1C[N@H+](C)C1COC1 ZINC001203434416 962077382 /nfs/dbraw/zinc/07/73/82/962077382.db2.gz KLWISPGMAALIIL-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO COc1ccccc1C[N@@H+](C)C1COC1 ZINC001203434416 962077396 /nfs/dbraw/zinc/07/73/96/962077396.db2.gz KLWISPGMAALIIL-UHFFFAOYSA-N 1 2 207.273 1.526 20 0 BDADLO Cc1ccnc(O[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001225350485 962096100 /nfs/dbraw/zinc/09/61/00/962096100.db2.gz SOTPMJRITRCTIX-LBPRGKRZSA-N 1 2 236.315 1.490 20 0 BDADLO O=S1CC[NH+](CCc2cccs2)CC1 ZINC000729265741 962128574 /nfs/dbraw/zinc/12/85/74/962128574.db2.gz BFBCQQHFRZZYRG-UHFFFAOYSA-N 1 2 229.370 1.355 20 0 BDADLO CC(=O)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001151097697 962247273 /nfs/dbraw/zinc/24/72/73/962247273.db2.gz KKQDTAKXCFXRAM-UHFFFAOYSA-N 1 2 237.303 1.125 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ncccc1OC)C2 ZINC001206650432 962639979 /nfs/dbraw/zinc/63/99/79/962639979.db2.gz KLXDBEKEAHELFF-FZMZJTMJSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ncccc1OC)C2 ZINC001206650432 962639968 /nfs/dbraw/zinc/63/99/68/962639968.db2.gz KLXDBEKEAHELFF-FZMZJTMJSA-N 1 2 248.326 1.844 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2c1cccc2F ZINC001153816781 962640543 /nfs/dbraw/zinc/64/05/43/962640543.db2.gz SBFAEDCKFHEUIP-ZDUSSCGKSA-N 1 2 248.301 1.809 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CCc2c1cccc2F ZINC001153816781 962640553 /nfs/dbraw/zinc/64/05/53/962640553.db2.gz SBFAEDCKFHEUIP-ZDUSSCGKSA-N 1 2 248.301 1.809 20 0 BDADLO Cc1ccoc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001269540093 962712056 /nfs/dbraw/zinc/71/20/56/962712056.db2.gz PDMIDESZJFWOLE-UHFFFAOYSA-N 1 2 220.272 1.118 20 0 BDADLO Cc1ccoc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001269540093 962712065 /nfs/dbraw/zinc/71/20/65/962712065.db2.gz PDMIDESZJFWOLE-UHFFFAOYSA-N 1 2 220.272 1.118 20 0 BDADLO CCCCNc1ccc(Cn2cncn2)c[nH+]1 ZINC001154831788 962859531 /nfs/dbraw/zinc/85/95/31/962859531.db2.gz LHGWEEAHHJYRPT-UHFFFAOYSA-N 1 2 231.303 1.933 20 0 BDADLO CC(C)c1ccc(NCCS(C)(=O)=O)[nH+]c1 ZINC001154926201 962908075 /nfs/dbraw/zinc/90/80/75/962908075.db2.gz ZAMVQZQKIGYPEK-UHFFFAOYSA-N 1 2 242.344 1.662 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001204383635 962908589 /nfs/dbraw/zinc/90/85/89/962908589.db2.gz LHUFIZDOOCJHKW-SNVBAGLBSA-N 1 2 247.264 1.989 20 0 BDADLO Cc1ccc(F)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001155193431 963014767 /nfs/dbraw/zinc/01/47/67/963014767.db2.gz HNTAWUQCNBOZHN-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccc(F)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001155193431 963014781 /nfs/dbraw/zinc/01/47/81/963014781.db2.gz HNTAWUQCNBOZHN-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO CSc1cc[nH+]c(NC[C@H]2CCC(=O)N2)c1 ZINC001156151942 963269878 /nfs/dbraw/zinc/26/98/78/963269878.db2.gz YIUFZOLJNQQTOG-MRVPVSSYSA-N 1 2 237.328 1.494 20 0 BDADLO C=Cc1ccc(NCCCc2c[nH][nH]c2=O)[nH+]c1 ZINC001156284049 963302677 /nfs/dbraw/zinc/30/26/77/963302677.db2.gz CGLQTUUWGFRCKC-NSHDSACASA-N 1 2 244.298 1.649 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)[C@H](F)c1ccccc1)C2 ZINC001270948529 963307394 /nfs/dbraw/zinc/30/73/94/963307394.db2.gz RTRMPQQCMWBKBI-GFCCVEGCSA-N 1 2 248.301 1.614 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)[C@H](F)c1ccccc1)C2 ZINC001270948529 963307405 /nfs/dbraw/zinc/30/74/05/963307405.db2.gz RTRMPQQCMWBKBI-GFCCVEGCSA-N 1 2 248.301 1.614 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2CCCCO2)c1C(N)=O ZINC001156371846 963326585 /nfs/dbraw/zinc/32/65/85/963326585.db2.gz KZFGOAJPZCFPFH-SNVBAGLBSA-N 1 2 249.314 1.470 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CCO[C@@H]2C)c[nH+]1 ZINC001156538075 963383093 /nfs/dbraw/zinc/38/30/93/963383093.db2.gz JJHKDKXCTVNGIS-PSASIEDQSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CCO[C@@H]2C)[nH+]1 ZINC001156538075 963383102 /nfs/dbraw/zinc/38/31/02/963383102.db2.gz JJHKDKXCTVNGIS-PSASIEDQSA-N 1 2 237.303 1.013 20 0 BDADLO CCOC(C)(C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156543437 963383210 /nfs/dbraw/zinc/38/32/10/963383210.db2.gz KKRACIPAYLQVHJ-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO CCOC(C)(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156543437 963383220 /nfs/dbraw/zinc/38/32/20/963383220.db2.gz KKRACIPAYLQVHJ-UHFFFAOYSA-N 1 2 239.319 1.403 20 0 BDADLO Nc1cc(Cl)[nH+]c(NC2CC(=O)C2)c1 ZINC001156611343 963411396 /nfs/dbraw/zinc/41/13/96/963411396.db2.gz YJYICHBYOUYIPE-UHFFFAOYSA-N 1 2 211.652 1.461 20 0 BDADLO CC(C)c1nc(NC2CC(=O)C2)nc(N(C)C)[nH+]1 ZINC001156616409 963412495 /nfs/dbraw/zinc/41/24/95/963412495.db2.gz HMAKKIHWOBZRJM-UHFFFAOYSA-N 1 2 249.318 1.204 20 0 BDADLO C[NH2+][C@@H]1CCN1C(F)(F)c1cnc(Cl)cn1 ZINC001156639048 963422317 /nfs/dbraw/zinc/42/23/17/963422317.db2.gz PCHCHBRTUMVPRK-QMMMGPOBSA-N 1 2 248.664 1.431 20 0 BDADLO C[NH2+][C@@H]1CCN1C(F)(F)c1cc(Cl)ncn1 ZINC001156639912 963423494 /nfs/dbraw/zinc/42/34/94/963423494.db2.gz YPRRKVKFQCSDIH-QMMMGPOBSA-N 1 2 248.664 1.431 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001204383933 963449943 /nfs/dbraw/zinc/44/99/43/963449943.db2.gz OHPHJRGRNRHBMM-STQMWFEESA-N 1 2 247.342 1.754 20 0 BDADLO Cc1nc(NCC(C)(C)C(N)=O)c2c([nH+]1)CCC2 ZINC001156738213 963451001 /nfs/dbraw/zinc/45/10/01/963451001.db2.gz COYXLGLCCKYCTJ-UHFFFAOYSA-N 1 2 248.330 1.197 20 0 BDADLO Nc1cc(CNc2cc3c(nn2)CCC3)cc[nH+]1 ZINC001156764006 963455331 /nfs/dbraw/zinc/45/53/31/963455331.db2.gz NSBAXXWWJYLXPP-UHFFFAOYSA-N 1 2 241.298 1.555 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)C[C@]1(C)CO ZINC001204384111 963455775 /nfs/dbraw/zinc/45/57/75/963455775.db2.gz RRLAIGYOOALDPZ-SNVBAGLBSA-N 1 2 245.273 1.012 20 0 BDADLO Cc1[nH]c(CNC(=O)CCc2ccon2)[nH+]c1C ZINC000896910256 963520765 /nfs/dbraw/zinc/52/07/65/963520765.db2.gz NMYKPNPKLSWGEL-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO Cc1nc(NC=N)cc(N2CCCC2)[nH+]1 ZINC001157073684 963523187 /nfs/dbraw/zinc/52/31/87/963523187.db2.gz ZDLVXNRTBHXBJO-UHFFFAOYSA-N 1 2 205.265 1.404 20 0 BDADLO COC(=O)c1cnc(Cl)cc1NC=[NH2+] ZINC001157073154 963523332 /nfs/dbraw/zinc/52/33/32/963523332.db2.gz COMSNKYWZNMBRC-UHFFFAOYSA-N 1 2 213.624 1.541 20 0 BDADLO CO[C@H](C)CC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157120388 963535770 /nfs/dbraw/zinc/53/57/70/963535770.db2.gz WHHHSXLNHZEETF-SECBINFHSA-N 1 2 239.319 1.574 20 0 BDADLO CO[C@H](C)CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157120388 963535766 /nfs/dbraw/zinc/53/57/66/963535766.db2.gz WHHHSXLNHZEETF-SECBINFHSA-N 1 2 239.319 1.574 20 0 BDADLO OC1CC2(C[C@@H]2Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000897089000 963540048 /nfs/dbraw/zinc/54/00/48/963540048.db2.gz CVYAPRMGRQMKSV-QUNCOHTASA-N 1 2 246.314 1.376 20 0 BDADLO OC1CC2(C[C@@H]2Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000897089000 963540051 /nfs/dbraw/zinc/54/00/51/963540051.db2.gz CVYAPRMGRQMKSV-QUNCOHTASA-N 1 2 246.314 1.376 20 0 BDADLO Cn1ccc(OC2C[NH+](Cc3ccccc3)C2)n1 ZINC001227680402 963551109 /nfs/dbraw/zinc/55/11/09/963551109.db2.gz BVBLTIICQURHTC-UHFFFAOYSA-N 1 2 243.310 1.683 20 0 BDADLO CCSc1cc[nH+]c(NC2(CO)COC2)c1 ZINC001157398023 963596880 /nfs/dbraw/zinc/59/68/80/963596880.db2.gz HXRZVHXFMHCCIM-UHFFFAOYSA-N 1 2 240.328 1.367 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCO[C@H](C)C2)CCC1 ZINC001168071527 963599452 /nfs/dbraw/zinc/59/94/52/963599452.db2.gz JADLHQZQVUVCST-NXEZZACHSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC2CCC2)[nH+]1 ZINC001158052306 963800585 /nfs/dbraw/zinc/80/05/85/963800585.db2.gz YMULLARSGZOIII-UHFFFAOYSA-N 1 2 235.335 1.848 20 0 BDADLO CSCc1ccc(NCCC(N)=O)[nH+]c1 ZINC001158109918 963810959 /nfs/dbraw/zinc/81/09/59/963810959.db2.gz IITUXHPXTBHPTI-UHFFFAOYSA-N 1 2 225.317 1.232 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C=Cc2ccoc2)[nH+]1 ZINC001142265230 963847485 /nfs/dbraw/zinc/84/74/85/963847485.db2.gz GVYDXHFSTXWRKE-NSCUHMNNSA-N 1 2 245.282 1.683 20 0 BDADLO O=C(CC[N@H+]1CC[C@H](F)C1)NOC1CCC1 ZINC001158455480 963879861 /nfs/dbraw/zinc/87/98/61/963879861.db2.gz NPHJHRJKYUIOJO-VIFPVBQESA-N 1 2 230.283 1.021 20 0 BDADLO O=C(CC[N@@H+]1CC[C@H](F)C1)NOC1CCC1 ZINC001158455480 963879865 /nfs/dbraw/zinc/87/98/65/963879865.db2.gz NPHJHRJKYUIOJO-VIFPVBQESA-N 1 2 230.283 1.021 20 0 BDADLO OCC1(Nc2cc3cc(F)ccc3c[nH+]2)COC1 ZINC001168173186 963910422 /nfs/dbraw/zinc/91/04/22/963910422.db2.gz OSFUVLAZYLMWAF-UHFFFAOYSA-N 1 2 248.257 1.547 20 0 BDADLO Nc1c(F)cccc1C(=O)NCCn1cc[nH+]c1 ZINC000054212722 963913601 /nfs/dbraw/zinc/91/36/01/963913601.db2.gz VPSBRALFYZVMKL-UHFFFAOYSA-N 1 2 248.261 1.034 20 0 BDADLO C=CC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001158835096 963938210 /nfs/dbraw/zinc/93/82/10/963938210.db2.gz NFBPMXISCMXJIC-UHFFFAOYSA-N 1 2 248.330 1.623 20 0 BDADLO Cn1c[nH+]cc1CN1CCc2occc2C1 ZINC001204387545 963946415 /nfs/dbraw/zinc/94/64/15/963946415.db2.gz PAZZAOGRXIBNPT-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO CO[C@@H]1COCC[C@H]1Nc1ccn2cc[nH+]c2c1 ZINC001168192296 963955609 /nfs/dbraw/zinc/95/56/09/963955609.db2.gz ASTFZXHXEFEZTJ-VXGBXAGGSA-N 1 2 247.298 1.550 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]1C1CC1 ZINC001158929441 963961101 /nfs/dbraw/zinc/96/11/01/963961101.db2.gz MRPYIJYTBJTTLY-NSHDSACASA-N 1 2 219.288 1.353 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]1C1CC1 ZINC001158929441 963961106 /nfs/dbraw/zinc/96/11/06/963961106.db2.gz MRPYIJYTBJTTLY-NSHDSACASA-N 1 2 219.288 1.353 20 0 BDADLO CCc1ccc(C[NH+]2CC(C(=O)OC)C2)o1 ZINC001204388721 964082329 /nfs/dbraw/zinc/08/23/29/964082329.db2.gz ASTWIGNXNBMLIO-UHFFFAOYSA-N 1 2 223.272 1.447 20 0 BDADLO Cc1c[nH+]cc(NC[C@H]2COCCO2)c1C ZINC001168268364 964148805 /nfs/dbraw/zinc/14/88/05/964148805.db2.gz NGDIMNDLHFKFJW-NSHDSACASA-N 1 2 222.288 1.526 20 0 BDADLO CC(=O)N1CC(Nc2cc3ccccc3c[nH+]2)C1 ZINC001159928147 964224982 /nfs/dbraw/zinc/22/49/82/964224982.db2.gz BIWWEGIEDXOWKJ-UHFFFAOYSA-N 1 2 241.294 1.877 20 0 BDADLO Cc1nc(-c2noc(C[NH+]3CCC3)n2)ccc1F ZINC001212095348 964255089 /nfs/dbraw/zinc/25/50/89/964255089.db2.gz CSDCYYRDRFBCGP-UHFFFAOYSA-N 1 2 248.261 1.785 20 0 BDADLO Cc1cccnc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095649 964257812 /nfs/dbraw/zinc/25/78/12/964257812.db2.gz RVLRLFBIALSHOV-UHFFFAOYSA-N 1 2 230.271 1.646 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(C(F)F)CC1 ZINC000697549512 964305239 /nfs/dbraw/zinc/30/52/39/964305239.db2.gz JANFANCBZJZCGO-UHFFFAOYSA-N 1 2 229.230 1.114 20 0 BDADLO CC(=O)NC[C@@H](C)CNc1[nH+]ccc(F)c1C ZINC001160654238 964378448 /nfs/dbraw/zinc/37/84/48/964378448.db2.gz IFXOPVMNLIIUME-MRVPVSSYSA-N 1 2 239.294 1.713 20 0 BDADLO CCC1(CNc2c(F)cc[nH+]c2N)COC1 ZINC001168327134 964455053 /nfs/dbraw/zinc/45/50/53/964455053.db2.gz JMNHZINCXUSOMR-UHFFFAOYSA-N 1 2 225.267 1.641 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1CNc1[nH+]cccc1OC ZINC001161036355 964490983 /nfs/dbraw/zinc/49/09/83/964490983.db2.gz KKNOCQVSNBFOFC-DTWKUNHWSA-N 1 2 236.271 1.311 20 0 BDADLO CN(C(=O)C1(F)C[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001161544288 964625478 /nfs/dbraw/zinc/62/54/78/964625478.db2.gz YARJZDUTSUVFSG-GFCCVEGCSA-N 1 2 248.301 1.444 20 0 BDADLO O=C(C1CC(F)C1)N1CCc2[nH+]ccn2CC1 ZINC001142577353 964633981 /nfs/dbraw/zinc/63/39/81/964633981.db2.gz YKZVYVXFLYJGMX-UHFFFAOYSA-N 1 2 237.278 1.016 20 0 BDADLO c1cn(CCCNc2ncc3c(n2)COC3)c[nH+]1 ZINC001161681971 964683106 /nfs/dbraw/zinc/68/31/06/964683106.db2.gz HYIKVPLVWNSAOA-UHFFFAOYSA-N 1 2 245.286 1.206 20 0 BDADLO c1cn(CCCNc2cnc3[nH]nnc3c2)c[nH+]1 ZINC001161684669 964683350 /nfs/dbraw/zinc/68/33/50/964683350.db2.gz IQBSHTBGMMLRIN-UHFFFAOYSA-N 1 2 243.274 1.052 20 0 BDADLO c1cn(CCCNc2ccc3[nH]cnc3n2)c[nH+]1 ZINC001161681199 964684408 /nfs/dbraw/zinc/68/44/08/964684408.db2.gz JOJBNPISQRRFHB-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO c1cn(CCCNc2ccc3nc[nH]c3n2)c[nH+]1 ZINC001161681199 964684413 /nfs/dbraw/zinc/68/44/13/964684413.db2.gz JOJBNPISQRRFHB-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO CC(C)[C@H](CO)Nc1[nH+]cnc2[nH]cc(F)c21 ZINC001161736538 964722768 /nfs/dbraw/zinc/72/27/68/964722768.db2.gz AOJFIJJSBBOTDF-QMMMGPOBSA-N 1 2 238.266 1.526 20 0 BDADLO Nc1cccc(CN2C[C@@H](F)[C@H](F)C2)[nH+]1 ZINC000714747572 964737675 /nfs/dbraw/zinc/73/76/75/964737675.db2.gz UJLDDCYZBLWDEZ-RKDXNWHRSA-N 1 2 213.231 1.156 20 0 BDADLO Cn1cc(CNc2ccn3cc(N)[nH+]c3c2)cn1 ZINC001161853198 964791887 /nfs/dbraw/zinc/79/18/87/964791887.db2.gz UGXYVPLLUIEFCS-UHFFFAOYSA-N 1 2 242.286 1.262 20 0 BDADLO c1cc2cc(NCC3COC3)[nH+]cc2[nH]1 ZINC001161943715 964821138 /nfs/dbraw/zinc/82/11/38/964821138.db2.gz VSVFPQZKQUJDCL-UHFFFAOYSA-N 1 2 203.245 1.621 20 0 BDADLO Cc1nc2c(ccn2C)c(NCC2COC2)[nH+]1 ZINC001161945741 964824003 /nfs/dbraw/zinc/82/40/03/964824003.db2.gz GNKUHAHCEDQTMS-UHFFFAOYSA-N 1 2 232.287 1.335 20 0 BDADLO CCc1coc(CNc2cc[nH+]cc2F)n1 ZINC001162137864 964854543 /nfs/dbraw/zinc/85/45/43/964854543.db2.gz LGGXSDUNWNNQOS-UHFFFAOYSA-N 1 2 221.235 1.805 20 0 BDADLO CCc1cc[nH+]cc1NCCS(C)(=O)=O ZINC001162324279 964928794 /nfs/dbraw/zinc/92/87/94/964928794.db2.gz ZFQZANKDIRUVGI-UHFFFAOYSA-N 1 2 228.317 1.101 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCOC[C@@H]1F ZINC001162344224 964940153 /nfs/dbraw/zinc/94/01/53/964940153.db2.gz ITAWMIQTPFZFJF-DTWKUNHWSA-N 1 2 226.251 1.629 20 0 BDADLO COc1cc[nH+]cc1N[C@@H](CO)CC(C)C ZINC001162368140 964943245 /nfs/dbraw/zinc/94/32/45/964943245.db2.gz DBNSHZKGEVBOTH-SNVBAGLBSA-N 1 2 224.304 1.909 20 0 BDADLO CC(C)(O)[C@H](F)CNc1cc(N)cc(Cl)[nH+]1 ZINC001162411713 964969308 /nfs/dbraw/zinc/96/93/08/964969308.db2.gz KMDRQVYJNVEKCJ-SSDOTTSWSA-N 1 2 247.701 1.838 20 0 BDADLO Cc1cc[nH+]c(C)c1NC1(C(N)=O)CC1 ZINC001162548785 965037812 /nfs/dbraw/zinc/03/78/12/965037812.db2.gz JECXHFJYKYMLCO-UHFFFAOYSA-N 1 2 205.261 1.128 20 0 BDADLO COc1nccc(NC(=[NH2+])C(C)(C)C)n1 ZINC001162657148 965091186 /nfs/dbraw/zinc/09/11/86/965091186.db2.gz HKXJMMPVYSYEJP-UHFFFAOYSA-N 1 2 208.265 1.920 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1C=CCC1 ZINC000698247785 965138365 /nfs/dbraw/zinc/13/83/65/965138365.db2.gz HZDVHJGFRKXCOY-QMMMGPOBSA-N 1 2 215.260 1.494 20 0 BDADLO COc1cc[nH+]cc1NCc1ccn(C)c(=O)c1 ZINC001168401879 965227985 /nfs/dbraw/zinc/22/79/85/965227985.db2.gz DUBZRQAWPUHWCE-UHFFFAOYSA-N 1 2 245.282 1.401 20 0 BDADLO COCC1([NH2+]Cc2nnc(C)s2)CC1 ZINC000698371471 965265916 /nfs/dbraw/zinc/26/59/16/965265916.db2.gz XIERTGOXQIZVJM-UHFFFAOYSA-N 1 2 213.306 1.115 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)F ZINC001483623192 965268394 /nfs/dbraw/zinc/26/83/94/965268394.db2.gz HAHPXILMRAIXQG-ZJUUUORDSA-N 1 2 248.317 1.673 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)F ZINC001483623192 965268410 /nfs/dbraw/zinc/26/84/10/965268410.db2.gz HAHPXILMRAIXQG-ZJUUUORDSA-N 1 2 248.317 1.673 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2nc(C)ncc2C)n[nH]1 ZINC001163508466 965420151 /nfs/dbraw/zinc/42/01/51/965420151.db2.gz UKUOCCJJWYMVSP-UHFFFAOYSA-N 1 2 245.290 1.157 20 0 BDADLO Nc1[nH+]c(N2CCCC[C@@H]2CO)ccc1Cl ZINC001163558681 965451010 /nfs/dbraw/zinc/45/10/10/965451010.db2.gz HASYEKFABQPYNV-MRVPVSSYSA-N 1 2 241.722 1.668 20 0 BDADLO CCC[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001272455443 965616653 /nfs/dbraw/zinc/61/66/53/965616653.db2.gz ZOYOVXAZRUUVRI-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCNC(=O)CN(C)c1ccc(C(C)C)c[nH+]1 ZINC001163913736 965624479 /nfs/dbraw/zinc/62/44/79/965624479.db2.gz QHLYHQCJQJSKIT-UHFFFAOYSA-N 1 2 235.331 1.777 20 0 BDADLO Cc1[nH+]ccn1CCNc1ccnc2[nH]cnc21 ZINC001163923879 965638288 /nfs/dbraw/zinc/63/82/88/965638288.db2.gz MBWLAQSULDAECM-UHFFFAOYSA-N 1 2 242.286 1.575 20 0 BDADLO O=S1(=O)C=C[C@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001164011859 965692294 /nfs/dbraw/zinc/69/22/94/965692294.db2.gz BZDBYWOSNSPWKG-JTQLQIEISA-N 1 2 249.295 1.057 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@@H](CO)[C@H]1C ZINC001164050952 965718328 /nfs/dbraw/zinc/71/83/28/965718328.db2.gz XBHKOANWEUPPFQ-MNOVXSKESA-N 1 2 236.315 1.606 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@@](C)(CO)C1 ZINC001164147006 965761041 /nfs/dbraw/zinc/76/10/41/965761041.db2.gz KHULKLAPCPAEJX-CYBMUJFWSA-N 1 2 236.315 1.607 20 0 BDADLO Cc1nc(N2CC[C@](C)(CO)C2)c2c([nH+]1)CCC2 ZINC001164147542 965761768 /nfs/dbraw/zinc/76/17/68/965761768.db2.gz VHOCNCJZWXWIDY-AWEZNQCLSA-N 1 2 247.342 1.482 20 0 BDADLO Cc1nc(N2C[C@@H](C)C[C@H]2CO)c2c([nH+]1)CCC2 ZINC001164153048 965764296 /nfs/dbraw/zinc/76/42/96/965764296.db2.gz WVOVZUBSDSEEAC-ONGXEEELSA-N 1 2 247.342 1.481 20 0 BDADLO Cc1cc(N2C[C@@H](C)C[C@H]2CO)nc(C2CC2)[nH+]1 ZINC001164154239 965765466 /nfs/dbraw/zinc/76/54/66/965765466.db2.gz AZWDEQTVSIZFSS-CABZTGNLSA-N 1 2 247.342 1.870 20 0 BDADLO Cc1nc(NC[C@H]2CC(C)(C)O2)cc[nH+]1 ZINC001168456246 965766390 /nfs/dbraw/zinc/76/63/90/965766390.db2.gz MAQYSBKXXCUNNC-SECBINFHSA-N 1 2 207.277 1.764 20 0 BDADLO CNc1cc(N2CC[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000699172845 965798303 /nfs/dbraw/zinc/79/83/03/965798303.db2.gz XNISWHFQRGVEGG-RKDXNWHRSA-N 1 2 204.277 1.365 20 0 BDADLO CNc1cc(N2CC[C@@H]3C[C@@H]3C2)[nH+]cn1 ZINC000699172845 965798314 /nfs/dbraw/zinc/79/83/14/965798314.db2.gz XNISWHFQRGVEGG-RKDXNWHRSA-N 1 2 204.277 1.365 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2c(C)cccc2C)C[NH2+]1 ZINC001164305450 965838498 /nfs/dbraw/zinc/83/84/98/965838498.db2.gz WWMVBEKLEMLSSW-RYUDHWBXSA-N 1 2 248.326 1.619 20 0 BDADLO C[C@@H]1CCN(c2ccc(N)c[nH+]2)CCC1=O ZINC001164364135 965863331 /nfs/dbraw/zinc/86/33/31/965863331.db2.gz AREBZYIJVTUQHQ-SECBINFHSA-N 1 2 219.288 1.469 20 0 BDADLO FC1(F)C[NH2+]CCN(c2cncnc2Cl)C1 ZINC001164488881 965895065 /nfs/dbraw/zinc/89/50/65/965895065.db2.gz PATHDJWRBPOPBS-UHFFFAOYSA-N 1 2 248.664 1.175 20 0 BDADLO Cc1ccc(CNC(=O)CCc2[nH+]ccn2C)o1 ZINC001123844865 966278508 /nfs/dbraw/zinc/27/85/08/966278508.db2.gz KYUVQUYCUDBQRU-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO OC[C@@H]1CCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166551120 966297030 /nfs/dbraw/zinc/29/70/30/966297030.db2.gz REVPZFKTWXWWOP-SNVBAGLBSA-N 1 2 218.300 1.778 20 0 BDADLO CCN(CCC(N)=O)c1ccc(Cl)c(N)[nH+]1 ZINC001166589367 966316600 /nfs/dbraw/zinc/31/66/00/966316600.db2.gz HHTJNRIZVRTLOB-UHFFFAOYSA-N 1 2 242.710 1.019 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001124009579 966352218 /nfs/dbraw/zinc/35/22/18/966352218.db2.gz CNDLVXBPPJGRBD-WDEREUQCSA-N 1 2 235.331 1.515 20 0 BDADLO C[C@H]1CC(=O)CCN1c1ccc(N)c[nH+]1 ZINC001166933992 966446984 /nfs/dbraw/zinc/44/69/84/966446984.db2.gz WADRVXLJUOLGCW-QMMMGPOBSA-N 1 2 205.261 1.222 20 0 BDADLO Cc1nc(N2CC3(CCO3)C2)cc(C(C)C)[nH+]1 ZINC001166940077 966458597 /nfs/dbraw/zinc/45/85/97/966458597.db2.gz SYLJTPJCLUJNEW-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO CCc1nc(N2C[C@H]3CC[C@@H](C2)C3=O)cc[nH+]1 ZINC001166945892 966470798 /nfs/dbraw/zinc/47/07/98/966470798.db2.gz AEENJDSRPNEGFA-AOOOYVTPSA-N 1 2 231.299 1.454 20 0 BDADLO COc1ccc(C)[nH+]c1N1C[C@H]2CC[C@@H](C1)C2=O ZINC001166947730 966473845 /nfs/dbraw/zinc/47/38/45/966473845.db2.gz UWZRNAPWGJUTQE-PHIMTYICSA-N 1 2 246.310 1.814 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2nccnc2Cl)C1 ZINC001236625437 966483053 /nfs/dbraw/zinc/48/30/53/966483053.db2.gz QSPFFKNPEGNCLG-QMMMGPOBSA-N 1 2 241.722 1.597 20 0 BDADLO Cc1cccc(C2(C(=O)NOC[C@H](C)[NH3+])CC2)c1 ZINC001521807941 966487396 /nfs/dbraw/zinc/48/73/96/966487396.db2.gz WWXMBEZDBFUETJ-NSHDSACASA-N 1 2 248.326 1.422 20 0 BDADLO COc1cc(C)c[nH+]c1N1CC[C@@H](O)C[C@H]1C ZINC001166963517 966489593 /nfs/dbraw/zinc/48/95/93/966489593.db2.gz INEPGGLCIXFSKQ-GHMZBOCLSA-N 1 2 236.315 1.748 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2cccnc2)n1 ZINC001203161763 966534543 /nfs/dbraw/zinc/53/45/43/966534543.db2.gz MEBSXSCJEUUWDI-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2cccnc2)n1 ZINC001203161763 966534551 /nfs/dbraw/zinc/53/45/51/966534551.db2.gz MEBSXSCJEUUWDI-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO FC1(F)CC2(C1)CC[NH+](Cc1cnn[nH]1)CC2 ZINC001203198345 966547748 /nfs/dbraw/zinc/54/77/48/966547748.db2.gz KKARGZIGJBMMNF-UHFFFAOYSA-N 1 2 242.273 1.816 20 0 BDADLO C[C@H]1CC[C@H]([N@H+](C)Cc2cn[nH]n2)CC1 ZINC001203212994 966559225 /nfs/dbraw/zinc/55/92/25/966559225.db2.gz JQUCTFKCXUGLMF-HOMQSWHASA-N 1 2 208.309 1.815 20 0 BDADLO C[C@H]1CC[C@H]([N@@H+](C)Cc2cn[nH]n2)CC1 ZINC001203212994 966559232 /nfs/dbraw/zinc/55/92/32/966559232.db2.gz JQUCTFKCXUGLMF-HOMQSWHASA-N 1 2 208.309 1.815 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccco2)C[C@@H]1C ZINC001203283504 966597078 /nfs/dbraw/zinc/59/70/78/966597078.db2.gz HZRBXBDTVUXXJX-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccco2)C[C@@H]1C ZINC001203283504 966597093 /nfs/dbraw/zinc/59/70/93/966597093.db2.gz HZRBXBDTVUXXJX-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCCO[C@H](C)C1 ZINC001237651426 966680012 /nfs/dbraw/zinc/68/00/12/966680012.db2.gz LQBMIFMYEHYIMQ-SNVBAGLBSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCCO[C@H](C)C1 ZINC001237651426 966680023 /nfs/dbraw/zinc/68/00/23/966680023.db2.gz LQBMIFMYEHYIMQ-SNVBAGLBSA-N 1 2 223.320 1.583 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnn(CCO)c2)c1 ZINC001203655987 966721799 /nfs/dbraw/zinc/72/17/99/966721799.db2.gz GDNMJCLVXKNCBY-UHFFFAOYSA-N 1 2 232.287 1.631 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC(=O)CC2)cc1O ZINC001203868251 966801392 /nfs/dbraw/zinc/80/13/92/966801392.db2.gz PYTBFKVFZNZDFH-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO COc1ccc(C[N@H+]2CCCC(=O)CC2)cc1O ZINC001203868251 966801393 /nfs/dbraw/zinc/80/13/93/966801393.db2.gz PYTBFKVFZNZDFH-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO COc1ccc(C[NH+]2CC3(COC3)C2)cc1O ZINC001203866637 966803552 /nfs/dbraw/zinc/80/35/52/966803552.db2.gz UXOBIXMQOXMBII-UHFFFAOYSA-N 1 2 235.283 1.233 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1sccc1C(=O)[O-] ZINC001205191092 966805353 /nfs/dbraw/zinc/80/53/53/966805353.db2.gz VYCHQRSSNIAYAO-VXNVDRBHSA-N 1 2 240.328 1.368 20 0 BDADLO C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001205191092 966805358 /nfs/dbraw/zinc/80/53/58/966805358.db2.gz VYCHQRSSNIAYAO-VXNVDRBHSA-N 1 2 240.328 1.368 20 0 BDADLO COc1ccc(C[NH+]2CCN(C#N)CC2)cc1C ZINC001203900549 966815678 /nfs/dbraw/zinc/81/56/78/966815678.db2.gz OOSAMMQHSUXLLR-UHFFFAOYSA-N 1 2 245.326 1.602 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)n1 ZINC001204067216 966874760 /nfs/dbraw/zinc/87/47/60/966874760.db2.gz OMNYIDMGCXEOHU-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1cccc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)n1 ZINC001204067216 966874765 /nfs/dbraw/zinc/87/47/65/966874765.db2.gz OMNYIDMGCXEOHU-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)n1 ZINC001204066568 966876242 /nfs/dbraw/zinc/87/62/42/966876242.db2.gz ZIESVXGMEGCNQO-NWDGAFQWSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)n1 ZINC001204066568 966876247 /nfs/dbraw/zinc/87/62/47/966876247.db2.gz ZIESVXGMEGCNQO-NWDGAFQWSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cccc(C[N@@H+]2CCc3nn(C)cc3C2)n1 ZINC001204068419 966876431 /nfs/dbraw/zinc/87/64/31/966876431.db2.gz HDFLYZLWWBASMQ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc(C[N@H+]2CCc3nn(C)cc3C2)n1 ZINC001204068419 966876436 /nfs/dbraw/zinc/87/64/36/966876436.db2.gz HDFLYZLWWBASMQ-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001204228133 966931071 /nfs/dbraw/zinc/93/10/71/966931071.db2.gz UBPACBCYHKVTHM-NWDGAFQWSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001204228133 966931081 /nfs/dbraw/zinc/93/10/81/966931081.db2.gz UBPACBCYHKVTHM-NWDGAFQWSA-N 1 2 245.244 1.870 20 0 BDADLO Cc1c2cc(N)cnc2nn1-c1ccc[nH+]c1N ZINC001212394049 967017640 /nfs/dbraw/zinc/01/76/40/967017640.db2.gz YBXHROMAIIILAX-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Nc1cc(N2CCCC2)nn1-c1ccc[nH+]c1N ZINC001212398124 967032624 /nfs/dbraw/zinc/03/26/24/967032624.db2.gz HLSGWHQOHJOYKY-UHFFFAOYSA-N 1 2 244.302 1.032 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001204577682 967064184 /nfs/dbraw/zinc/06/41/84/967064184.db2.gz HPIOWJOZQYQKET-UHFFFAOYSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001204577682 967064198 /nfs/dbraw/zinc/06/41/98/967064198.db2.gz HPIOWJOZQYQKET-UHFFFAOYSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1nc[nH]c1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001204592184 967087619 /nfs/dbraw/zinc/08/76/19/967087619.db2.gz KZDFVTUDXBXDHR-SECBINFHSA-N 1 2 241.335 1.748 20 0 BDADLO CC[N@H+](Cc1ccc(OC)c(C)n1)C1COC1 ZINC001249907021 967142068 /nfs/dbraw/zinc/14/20/68/967142068.db2.gz KXNVOOJXKJOBNW-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO CC[N@@H+](Cc1ccc(OC)c(C)n1)C1COC1 ZINC001249907021 967142075 /nfs/dbraw/zinc/14/20/75/967142075.db2.gz KXNVOOJXKJOBNW-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO O[C@@H]1C[N@H+](Cc2nc3ccccc3[nH]2)CC[C@@H]1F ZINC001204751394 967146552 /nfs/dbraw/zinc/14/65/52/967146552.db2.gz ILMHTQGPQLJFNB-JOYOIKCWSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CC[C@@H]1F ZINC001204751394 967146563 /nfs/dbraw/zinc/14/65/63/967146563.db2.gz ILMHTQGPQLJFNB-JOYOIKCWSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@H]1C[N@H+](Cc2nc3ccccc3[nH]2)CC[C@@H]1F ZINC001204751393 967147628 /nfs/dbraw/zinc/14/76/28/967147628.db2.gz ILMHTQGPQLJFNB-CABZTGNLSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CC[C@@H]1F ZINC001204751393 967147638 /nfs/dbraw/zinc/14/76/38/967147638.db2.gz ILMHTQGPQLJFNB-CABZTGNLSA-N 1 2 249.289 1.468 20 0 BDADLO COc1ccc(C[NH+]2CC3(COC3)C2)c(F)c1 ZINC001204900074 967223995 /nfs/dbraw/zinc/22/39/95/967223995.db2.gz PDCUAAXMOKNFBA-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO COc1ncncc1-c1ccc2[nH+]ccn2c1 ZINC001240218090 967430209 /nfs/dbraw/zinc/43/02/09/967430209.db2.gz ACBQCPUPSQMTKJ-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Oc1ccccc1 ZINC001250258513 967569829 /nfs/dbraw/zinc/56/98/29/967569829.db2.gz GNRMNIBAYAPTEJ-UHFFFAOYSA-N 1 2 216.240 1.568 20 0 BDADLO Oc1cc(CCn2cc[nH+]c2)ccc1F ZINC001250318684 967688633 /nfs/dbraw/zinc/68/86/33/967688633.db2.gz KLXGGHLOXXHBFE-UHFFFAOYSA-N 1 2 206.220 1.971 20 0 BDADLO COc1ccc(CO)cc1CCn1cc[nH+]c1 ZINC001250318661 967694168 /nfs/dbraw/zinc/69/41/68/967694168.db2.gz JLUFUTZKMHDOHC-UHFFFAOYSA-N 1 2 232.283 1.627 20 0 BDADLO CCn1cc(C[N@@H+]2CCc3cccnc3C2)cn1 ZINC001205553069 967695327 /nfs/dbraw/zinc/69/53/27/967695327.db2.gz VWRGDAVTZFYADL-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1cc(C[N@H+]2CCc3cccnc3C2)cn1 ZINC001205553069 967695330 /nfs/dbraw/zinc/69/53/30/967695330.db2.gz VWRGDAVTZFYADL-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO O=c1[nH]cc(CCn2cc[nH+]c2)cc1F ZINC001250318979 967695362 /nfs/dbraw/zinc/69/53/62/967695362.db2.gz OILHIWQSHNTGKU-UHFFFAOYSA-N 1 2 207.208 1.366 20 0 BDADLO CCn1c[nH+]cc1CN[C@@H](C)c1nc(C)no1 ZINC001205650821 967742420 /nfs/dbraw/zinc/74/24/20/967742420.db2.gz USUVISAHIMLKGN-QMMMGPOBSA-N 1 2 235.291 1.445 20 0 BDADLO OC[C@H]1C[N@H+](Cc2cnoc2)CCC1(F)F ZINC001205669783 967753873 /nfs/dbraw/zinc/75/38/73/967753873.db2.gz ADSOGBIPKAJAHN-SECBINFHSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2cnoc2)CCC1(F)F ZINC001205669783 967753888 /nfs/dbraw/zinc/75/38/88/967753888.db2.gz ADSOGBIPKAJAHN-SECBINFHSA-N 1 2 232.230 1.124 20 0 BDADLO FC1(F)CO[C@H]2C[N@H+](Cc3cnoc3)C[C@H]21 ZINC001205678426 967771141 /nfs/dbraw/zinc/77/11/41/967771141.db2.gz ZNZRNXJYFKELAJ-BDAKNGLRSA-N 1 2 230.214 1.141 20 0 BDADLO FC1(F)CO[C@H]2C[N@@H+](Cc3cnoc3)C[C@H]21 ZINC001205678426 967771151 /nfs/dbraw/zinc/77/11/51/967771151.db2.gz ZNZRNXJYFKELAJ-BDAKNGLRSA-N 1 2 230.214 1.141 20 0 BDADLO Cc1oncc1CNc1ccn2cc(N)[nH+]c2c1 ZINC001162269545 967781166 /nfs/dbraw/zinc/78/11/66/967781166.db2.gz NBMAOOGBBOHQMR-UHFFFAOYSA-N 1 2 243.270 1.825 20 0 BDADLO CCCc1[nH]c2cc3c(cc2[nH+]1)OCC(=O)N3 ZINC001250426138 967840134 /nfs/dbraw/zinc/84/01/34/967840134.db2.gz DZHWSQKOPAWAPP-UHFFFAOYSA-N 1 2 231.255 1.846 20 0 BDADLO COC(=O)[C@@H](N/C(C)=C/C=C/[NH3+])C(C)(C)C ZINC001163508140 968043972 /nfs/dbraw/zinc/04/39/72/968043972.db2.gz ACIUHFJRRVANRD-NYUKUXESSA-N 1 2 226.320 1.540 20 0 BDADLO CCNC(=O)CN(C)c1[nH+]ccc(F)c1C ZINC001163913686 968129019 /nfs/dbraw/zinc/12/90/19/968129019.db2.gz ONJWUMAQEIVBIC-UHFFFAOYSA-N 1 2 225.267 1.101 20 0 BDADLO Clc1[nH][nH+]c(N2CCCCO2)c2ncnc1-2 ZINC001163927620 968138430 /nfs/dbraw/zinc/13/84/30/968138430.db2.gz VHGSQCHFVMVIII-UHFFFAOYSA-N 1 2 239.666 1.538 20 0 BDADLO C[NH+](C)Cc1nnc(Cn2cc(Cl)cn2)o1 ZINC001118432190 968150373 /nfs/dbraw/zinc/15/03/73/968150373.db2.gz CFZYXQNSPIFORW-UHFFFAOYSA-N 1 2 241.682 1.029 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206223720 968151436 /nfs/dbraw/zinc/15/14/36/968151436.db2.gz XIYLJNNOQJTKAJ-VIFPVBQESA-N 1 2 248.252 1.184 20 0 BDADLO Cc1ccc(O)c(Nc2ccc[nH]c2=O)[nH+]1 ZINC001206422757 968293401 /nfs/dbraw/zinc/29/34/01/968293401.db2.gz ISRDMNSJLSVJSE-UHFFFAOYSA-N 1 2 217.228 1.940 20 0 BDADLO CCC[C@H]([NH2+]C[C@H](O)CC)C(=O)OC(C)(C)C ZINC001251808804 968335273 /nfs/dbraw/zinc/33/52/73/968335273.db2.gz YMSVLLMIYMEIJV-MNOVXSKESA-N 1 2 245.363 1.857 20 0 BDADLO CC1(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)CC1 ZINC001084363514 968375534 /nfs/dbraw/zinc/37/55/34/968375534.db2.gz JLCVTASMZFQOBL-GHMZBOCLSA-N 1 2 240.322 1.289 20 0 BDADLO CC1(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)CC1 ZINC001084363514 968375550 /nfs/dbraw/zinc/37/55/50/968375550.db2.gz JLCVTASMZFQOBL-GHMZBOCLSA-N 1 2 240.322 1.289 20 0 BDADLO C[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC001168765873 968481559 /nfs/dbraw/zinc/48/15/59/968481559.db2.gz NPQVECJLAZWBOL-JOYOIKCWSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1O ZINC001168765873 968481564 /nfs/dbraw/zinc/48/15/64/968481564.db2.gz NPQVECJLAZWBOL-JOYOIKCWSA-N 1 2 236.315 1.755 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cs1 ZINC001206800193 968483267 /nfs/dbraw/zinc/48/32/67/968483267.db2.gz YFISMKUKRISBIL-UWVGGRQHSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)cs1 ZINC001206800193 968483270 /nfs/dbraw/zinc/48/32/70/968483270.db2.gz YFISMKUKRISBIL-UWVGGRQHSA-N 1 2 230.308 1.356 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)ccn2)C[C@@H]1C ZINC001206853676 968499962 /nfs/dbraw/zinc/49/99/62/968499962.db2.gz CUZOYWCOFBMRAV-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)ccn2)C[C@@H]1C ZINC001206853676 968499964 /nfs/dbraw/zinc/49/99/64/968499964.db2.gz CUZOYWCOFBMRAV-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001206989953 968528614 /nfs/dbraw/zinc/52/86/14/968528614.db2.gz WBKWZWPSIIRADR-NXEZZACHSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001206989953 968528618 /nfs/dbraw/zinc/52/86/18/968528618.db2.gz WBKWZWPSIIRADR-NXEZZACHSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2ncn(C)c2C1 ZINC001206990857 968528723 /nfs/dbraw/zinc/52/87/23/968528723.db2.gz DLHLHVCYUPYRMH-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2ncn(C)c2C1 ZINC001206990857 968528731 /nfs/dbraw/zinc/52/87/31/968528731.db2.gz DLHLHVCYUPYRMH-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO COc1cncc(C[N@@H+]2CCn3nccc3C2)c1 ZINC001206998173 968532531 /nfs/dbraw/zinc/53/25/31/968532531.db2.gz LJMSWEFWYNRBDJ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cncc(C[N@H+]2CCn3nccc3C2)c1 ZINC001206998173 968532537 /nfs/dbraw/zinc/53/25/37/968532537.db2.gz LJMSWEFWYNRBDJ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO c1cnc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)nc1 ZINC001207012915 968549914 /nfs/dbraw/zinc/54/99/14/968549914.db2.gz USLOLFNZVRCXIJ-RYUDHWBXSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)nc1 ZINC001207012915 968549919 /nfs/dbraw/zinc/54/99/19/968549919.db2.gz USLOLFNZVRCXIJ-RYUDHWBXSA-N 1 2 233.315 1.478 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001207015732 968552678 /nfs/dbraw/zinc/55/26/78/968552678.db2.gz FJCPEUOJRCSHBL-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001207015732 968552682 /nfs/dbraw/zinc/55/26/82/968552682.db2.gz FJCPEUOJRCSHBL-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3nn(C)cc3C2)s1 ZINC001207061501 968592123 /nfs/dbraw/zinc/59/21/23/968592123.db2.gz ZPDADEXJOPRUIW-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3nn(C)cc3C2)s1 ZINC001207061501 968592133 /nfs/dbraw/zinc/59/21/33/968592133.db2.gz ZPDADEXJOPRUIW-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cnc(C[NH+]2CC3(C2)CCOC3)cn1 ZINC001207073227 968607362 /nfs/dbraw/zinc/60/73/62/968607362.db2.gz QGIZOIYZYIXKFF-UHFFFAOYSA-N 1 2 219.288 1.007 20 0 BDADLO Cc1cnc(C[NH+]2CC3(CSC3)C2)cn1 ZINC001207080892 968615141 /nfs/dbraw/zinc/61/51/41/968615141.db2.gz ZDKHFBOPUHICDW-UHFFFAOYSA-N 1 2 221.329 1.334 20 0 BDADLO CCc1nccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC001207090595 968623147 /nfs/dbraw/zinc/62/31/47/968623147.db2.gz ZEXQWVMUFSQDCY-CYBMUJFWSA-N 1 2 247.342 1.650 20 0 BDADLO CCc1nccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC001207090595 968623151 /nfs/dbraw/zinc/62/31/51/968623151.db2.gz ZEXQWVMUFSQDCY-CYBMUJFWSA-N 1 2 247.342 1.650 20 0 BDADLO CC1(O)CC[NH+](Cc2ncc(F)cc2F)CC1 ZINC001207093766 968626948 /nfs/dbraw/zinc/62/69/48/968626948.db2.gz PLJDAYJKAAZOFJ-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO Cc1ncoc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000825106306 968633287 /nfs/dbraw/zinc/63/32/87/968633287.db2.gz ANJZWWJDJPMGBF-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO CCCOC1C[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC001207122350 968640033 /nfs/dbraw/zinc/64/00/33/968640033.db2.gz LAAGAUXOUBUGEF-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO Cc1nc(NCc2cnn3c2CCC3)cc[nH+]1 ZINC000825282614 968640709 /nfs/dbraw/zinc/64/07/09/968640709.db2.gz QKMBPDVFLKWQFD-UHFFFAOYSA-N 1 2 229.287 1.540 20 0 BDADLO Cc1nc(C(=O)NCC(C)(C)n2cc[nH+]c2)co1 ZINC000825307209 968644775 /nfs/dbraw/zinc/64/47/75/968644775.db2.gz GKHRDWNOMLYASS-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001207146616 968656111 /nfs/dbraw/zinc/65/61/11/968656111.db2.gz ZABHLKXTNFDSQL-ZDUSSCGKSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001207146616 968656116 /nfs/dbraw/zinc/65/61/16/968656116.db2.gz ZABHLKXTNFDSQL-ZDUSSCGKSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c1 ZINC001207155693 968665781 /nfs/dbraw/zinc/66/57/81/968665781.db2.gz YHAOLKUWGNHPEG-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)c1 ZINC001207155693 968665787 /nfs/dbraw/zinc/66/57/87/968665787.db2.gz YHAOLKUWGNHPEG-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1nccc(C[N@@H+]2CCc3cnccc3C2)n1 ZINC001207163362 968671630 /nfs/dbraw/zinc/67/16/30/968671630.db2.gz PDTBBWTVYOUIDW-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccc(C[N@H+]2CCc3cnccc3C2)n1 ZINC001207163362 968671640 /nfs/dbraw/zinc/67/16/40/968671640.db2.gz PDTBBWTVYOUIDW-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccnc(C)n1)C2 ZINC001207168673 968676140 /nfs/dbraw/zinc/67/61/40/968676140.db2.gz MSFBRNJBNHBOGV-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccnc(C)n1)C2 ZINC001207168673 968676143 /nfs/dbraw/zinc/67/61/43/968676143.db2.gz MSFBRNJBNHBOGV-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO c1ccc(COCC[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001207237794 968688820 /nfs/dbraw/zinc/68/88/20/968688820.db2.gz RJEMKYCALOZAMN-KGLIPLIRSA-N 1 2 233.311 1.676 20 0 BDADLO c1ccc(COCC[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC001207237794 968688825 /nfs/dbraw/zinc/68/88/25/968688825.db2.gz RJEMKYCALOZAMN-KGLIPLIRSA-N 1 2 233.311 1.676 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCN2CC[C@H]2C1 ZINC001207457817 968780784 /nfs/dbraw/zinc/78/07/84/968780784.db2.gz HLDVGNXPYLSWPB-AWEZNQCLSA-N 1 2 246.354 1.628 20 0 BDADLO COc1ccccc1CC[N@H+]1CCN2CC[C@H]2C1 ZINC001207457817 968780792 /nfs/dbraw/zinc/78/07/92/968780792.db2.gz HLDVGNXPYLSWPB-AWEZNQCLSA-N 1 2 246.354 1.628 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C1CC=CC1 ZINC001085527180 968781077 /nfs/dbraw/zinc/78/10/77/968781077.db2.gz TZBPFJHZJSAVFP-GFCCVEGCSA-N 1 2 240.322 1.455 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)C1CC=CC1 ZINC001085527180 968781081 /nfs/dbraw/zinc/78/10/81/968781081.db2.gz TZBPFJHZJSAVFP-GFCCVEGCSA-N 1 2 240.322 1.455 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)CCn1cc[nH+]c1 ZINC001252550282 968792022 /nfs/dbraw/zinc/79/20/22/968792022.db2.gz ZXOMEEIEAULTFF-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO COC1(C[NH2+][C@@]2(C)CC(C)(C)OC2=O)CCC1 ZINC001207502214 968807721 /nfs/dbraw/zinc/80/77/21/968807721.db2.gz RMGYPDCIIPXVLW-LBPRGKRZSA-N 1 2 241.331 1.629 20 0 BDADLO CC1(O)C[NH+](CCc2ccccc2F)C1 ZINC001207496785 968808214 /nfs/dbraw/zinc/80/82/14/968808214.db2.gz HWDISTXYARTQBC-UHFFFAOYSA-N 1 2 209.264 1.435 20 0 BDADLO N#CN1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207517914 968814825 /nfs/dbraw/zinc/81/48/25/968814825.db2.gz IHGXRXBFSOEIAR-UHFFFAOYSA-N 1 2 233.290 1.467 20 0 BDADLO OCC1(F)C[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207615959 968836071 /nfs/dbraw/zinc/83/60/71/968836071.db2.gz ONSGATDFOLSIKF-HBNTYKKESA-N 1 2 211.280 1.215 20 0 BDADLO Cn1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1=O ZINC001240986177 968844066 /nfs/dbraw/zinc/84/40/66/968844066.db2.gz PKJPLJYDHVEEGR-UHFFFAOYSA-N 1 2 240.266 1.282 20 0 BDADLO O[C@H](CNc1cccc[nH+]1)COCc1ccco1 ZINC001252624208 968886389 /nfs/dbraw/zinc/88/63/89/968886389.db2.gz AKVLHGKWWXDVIM-LLVKDONJSA-N 1 2 248.282 1.664 20 0 BDADLO CC1(C[N@@H+]2CCOC[C@@H]2c2cccnc2)COC1 ZINC001207799947 968888186 /nfs/dbraw/zinc/88/81/86/968888186.db2.gz JHCVAWVIEVNWKJ-CYBMUJFWSA-N 1 2 248.326 1.491 20 0 BDADLO CC1(C[N@H+]2CCOC[C@@H]2c2cccnc2)COC1 ZINC001207799947 968888194 /nfs/dbraw/zinc/88/81/94/968888194.db2.gz JHCVAWVIEVNWKJ-CYBMUJFWSA-N 1 2 248.326 1.491 20 0 BDADLO F[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC001207846648 968900441 /nfs/dbraw/zinc/90/04/41/968900441.db2.gz KWNJJLRDYDVIKS-DTWKUNHWSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC001207846648 968900453 /nfs/dbraw/zinc/90/04/53/968900453.db2.gz KWNJJLRDYDVIKS-DTWKUNHWSA-N 1 2 223.238 1.845 20 0 BDADLO CCCCOC1C[NH+](C[C@H]2COC(C)(C)O2)C1 ZINC001207928320 968934349 /nfs/dbraw/zinc/93/43/49/968934349.db2.gz MIJMHMTZVCWHDE-LBPRGKRZSA-N 1 2 243.347 1.639 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CCC23COC3)o1 ZINC001207948540 968944007 /nfs/dbraw/zinc/94/40/07/968944007.db2.gz VLHQZGVTSCYSQH-UHFFFAOYSA-N 1 2 221.300 1.995 20 0 BDADLO Cc1ccc(CCC[N@H+]2CCC23COC3)o1 ZINC001207948540 968944015 /nfs/dbraw/zinc/94/40/15/968944015.db2.gz VLHQZGVTSCYSQH-UHFFFAOYSA-N 1 2 221.300 1.995 20 0 BDADLO CCC[C@@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252799752 968984756 /nfs/dbraw/zinc/98/47/56/968984756.db2.gz ZPZIFDWQEXCHJM-SECBINFHSA-N 1 2 227.308 1.444 20 0 BDADLO CCCCC[C@H]([NH2+]C[C@H](O)CCC)C(=O)OC ZINC001252809466 968998005 /nfs/dbraw/zinc/99/80/05/968998005.db2.gz IAWZJXDGRKLTBA-NEPJUHHUSA-N 1 2 245.363 1.859 20 0 BDADLO COC(=O)C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000712328283 969183916 /nfs/dbraw/zinc/18/39/16/969183916.db2.gz GOVWVECDOLJZPU-QMMMGPOBSA-N 1 2 225.313 1.840 20 0 BDADLO COC(=O)C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000712328283 969183923 /nfs/dbraw/zinc/18/39/23/969183923.db2.gz GOVWVECDOLJZPU-QMMMGPOBSA-N 1 2 225.313 1.840 20 0 BDADLO COC(=O)[C@H](C)C[N@H+](C)CC(=O)c1ccccc1 ZINC001208723884 969206054 /nfs/dbraw/zinc/20/60/54/969206054.db2.gz UNCHUTQTUIBKSM-LLVKDONJSA-N 1 2 249.310 1.610 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001208723884 969206063 /nfs/dbraw/zinc/20/60/63/969206063.db2.gz UNCHUTQTUIBKSM-LLVKDONJSA-N 1 2 249.310 1.610 20 0 BDADLO CCCCC[C@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001253557658 969230212 /nfs/dbraw/zinc/23/02/12/969230212.db2.gz NIWGLGWHGRLHII-NWDGAFQWSA-N 1 2 245.363 1.859 20 0 BDADLO c1cncc(OC2C[NH+](C[C@H]3CCC=CO3)C2)c1 ZINC001208880113 969270726 /nfs/dbraw/zinc/27/07/26/969270726.db2.gz IRVGOIODMUVGFO-CYBMUJFWSA-N 1 2 246.310 1.837 20 0 BDADLO Cc1cc2cc(NCCC(N)=O)[nH+]cc2[nH]1 ZINC001168952141 969293731 /nfs/dbraw/zinc/29/37/31/969293731.db2.gz APCCVDZYLOOLKL-UHFFFAOYSA-N 1 2 218.260 1.159 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1CCCc1cccnc1 ZINC001209171743 969369388 /nfs/dbraw/zinc/36/93/88/969369388.db2.gz LJRNBLQOSCAWGO-LBPRGKRZSA-N 1 2 234.299 1.262 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1CCCc1cccnc1 ZINC001209171743 969369394 /nfs/dbraw/zinc/36/93/94/969369394.db2.gz LJRNBLQOSCAWGO-LBPRGKRZSA-N 1 2 234.299 1.262 20 0 BDADLO CC(=O)[C@@H]1C[N@H+](CCc2cccs2)CCO1 ZINC001209227896 969411650 /nfs/dbraw/zinc/41/16/50/969411650.db2.gz CFRJNYUAALOIDP-LBPRGKRZSA-N 1 2 239.340 1.580 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+](CCc2cccs2)CCO1 ZINC001209227896 969411653 /nfs/dbraw/zinc/41/16/53/969411653.db2.gz CFRJNYUAALOIDP-LBPRGKRZSA-N 1 2 239.340 1.580 20 0 BDADLO O=C1C[C@@H](Nc2cccn3cc[nH+]c23)CO1 ZINC001169120973 969416816 /nfs/dbraw/zinc/41/68/16/969416816.db2.gz BMLNZUGRWBCFCH-MRVPVSSYSA-N 1 2 217.228 1.062 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@@H+]1CCCC1OCCO1 ZINC001209304472 969430457 /nfs/dbraw/zinc/43/04/57/969430457.db2.gz SKNAZORZRGOBFO-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO FC[C@@H]1C[C@H](F)C[N@H+]1CCCC1OCCO1 ZINC001209304472 969430461 /nfs/dbraw/zinc/43/04/61/969430461.db2.gz SKNAZORZRGOBFO-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO c1[nH]cc(CCc2nnc(C3CC3)o2)[nH+]1 ZINC001254063864 969471187 /nfs/dbraw/zinc/47/11/87/969471187.db2.gz FUUXYTBCYKBWNL-UHFFFAOYSA-N 1 2 204.233 1.455 20 0 BDADLO CC1(CO)C[NH+](Cc2cc3c(cn2)OCCC3)C1 ZINC001209505272 969530597 /nfs/dbraw/zinc/53/05/97/969530597.db2.gz SOZRBOVCYXFGPE-UHFFFAOYSA-N 1 2 248.326 1.221 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001209555268 969542819 /nfs/dbraw/zinc/54/28/19/969542819.db2.gz XVJICKUMIVYOJP-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001209555268 969542825 /nfs/dbraw/zinc/54/28/25/969542825.db2.gz XVJICKUMIVYOJP-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO COC(=O)C1(C)CC[NH+](Cc2ccon2)CC1 ZINC001209565144 969546998 /nfs/dbraw/zinc/54/69/98/969546998.db2.gz LDEMFEVPMFTFGS-UHFFFAOYSA-N 1 2 238.287 1.450 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)no1 ZINC001209564810 969548914 /nfs/dbraw/zinc/54/89/14/969548914.db2.gz WGNJOWFDOHHSEN-LLVKDONJSA-N 1 2 208.261 1.430 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@]3(CCO3)C2)no1 ZINC001209564810 969548920 /nfs/dbraw/zinc/54/89/20/969548920.db2.gz WGNJOWFDOHHSEN-LLVKDONJSA-N 1 2 208.261 1.430 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(C)[nH]2)C1 ZINC001209574511 969556854 /nfs/dbraw/zinc/55/68/54/969556854.db2.gz OKOBUSHAKNDXIJ-UHFFFAOYSA-N 1 2 222.288 1.318 20 0 BDADLO COCC1C[NH+](Cc2cn3cccc(C)c3n2)C1 ZINC001209733155 969593022 /nfs/dbraw/zinc/59/30/22/969593022.db2.gz ITDZRZDVXJIQPN-UHFFFAOYSA-N 1 2 245.326 1.721 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2cnccc2N)C1 ZINC001209734005 969594897 /nfs/dbraw/zinc/59/48/97/969594897.db2.gz YLNMHYPJCBHLEE-GFCCVEGCSA-N 1 2 235.331 1.495 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2cnccc2N)C1 ZINC001209734005 969594900 /nfs/dbraw/zinc/59/49/00/969594900.db2.gz YLNMHYPJCBHLEE-GFCCVEGCSA-N 1 2 235.331 1.495 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(F)F ZINC001169423455 969633643 /nfs/dbraw/zinc/63/36/43/969633643.db2.gz UZAKSGNGVXPPRI-MRVPVSSYSA-N 1 2 222.279 1.488 20 0 BDADLO Cc1cc(C[C@H](C)Nc2cc[nH+]nc2)on1 ZINC001209952842 969712543 /nfs/dbraw/zinc/71/25/43/969712543.db2.gz BUKYUTBDKHYBFW-QMMMGPOBSA-N 1 2 218.260 1.816 20 0 BDADLO c1coc(C[NH2+][C@@H]2CC3CCN(CC3)C2)n1 ZINC001254832879 969797360 /nfs/dbraw/zinc/79/73/60/969797360.db2.gz SGFTXMYYEXPZQA-LLVKDONJSA-N 1 2 221.304 1.249 20 0 BDADLO CC(C)n1cc(NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC001169652705 969800062 /nfs/dbraw/zinc/80/00/62/969800062.db2.gz BIMDLRLJNYYKES-GFCCVEGCSA-N 1 2 238.335 1.207 20 0 BDADLO CC(C)n1cc(NC[C@@H]2COCC[N@H+]2C)cn1 ZINC001169652705 969800065 /nfs/dbraw/zinc/80/00/65/969800065.db2.gz BIMDLRLJNYYKES-GFCCVEGCSA-N 1 2 238.335 1.207 20 0 BDADLO O=C1NCc2ccc(CNc3cccc[nH+]3)cc21 ZINC001169762188 969843202 /nfs/dbraw/zinc/84/32/02/969843202.db2.gz CTSWGFUTDNBEHS-UHFFFAOYSA-N 1 2 239.278 1.937 20 0 BDADLO COc1cc(Nc2ccn(C)n2)cc(C)[nH+]1 ZINC001210347405 969874682 /nfs/dbraw/zinc/87/46/82/969874682.db2.gz ANYGLHAZAPNYLA-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc2cc(C)[nH]c2c[nH+]1 ZINC001169980031 969931011 /nfs/dbraw/zinc/93/10/11/969931011.db2.gz WGJOHKGPZIEHAM-QMMMGPOBSA-N 1 2 232.287 1.418 20 0 BDADLO COCc1ccnc(NCc2cc[nH+]c(N)c2)c1 ZINC001156755967 969993134 /nfs/dbraw/zinc/99/31/34/969993134.db2.gz LNCWTDBAVMOUHU-UHFFFAOYSA-N 1 2 244.298 1.817 20 0 BDADLO CCCN(C)c1ccc(Cn2cncn2)c[nH+]1 ZINC001156881609 970017670 /nfs/dbraw/zinc/01/76/70/970017670.db2.gz FIJIWHRHCVUCBF-UHFFFAOYSA-N 1 2 231.303 1.568 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@H+]1[C@H]1CCSC1 ZINC001255282598 970039446 /nfs/dbraw/zinc/03/94/46/970039446.db2.gz RQEJMPYPQHALAX-IUCAKERBSA-N 1 2 237.315 1.584 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1[C@H]1CCSC1 ZINC001255282598 970039437 /nfs/dbraw/zinc/03/94/37/970039437.db2.gz RQEJMPYPQHALAX-IUCAKERBSA-N 1 2 237.315 1.584 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+]C1CCC(C)(C)CC1 ZINC001255297752 970063479 /nfs/dbraw/zinc/06/34/79/970063479.db2.gz XURRNIGLUQFIBP-SNVBAGLBSA-N 1 2 229.320 1.079 20 0 BDADLO COc1cc(OC)c2ncnc(NC=[NH2+])c2c1 ZINC001157079898 970081967 /nfs/dbraw/zinc/08/19/67/970081967.db2.gz HHLOQMLEOPXPDM-UHFFFAOYSA-N 1 2 232.243 1.666 20 0 BDADLO C[N@@H+]1CC[C@H](N[C@H](CO)c2ccc(F)cc2)C1 ZINC001255411921 970130759 /nfs/dbraw/zinc/13/07/59/970130759.db2.gz DOQITSBGFZVAAE-QWHCGFSZSA-N 1 2 238.306 1.153 20 0 BDADLO C[N@H+]1CC[C@H](N[C@H](CO)c2ccc(F)cc2)C1 ZINC001255411921 970130763 /nfs/dbraw/zinc/13/07/63/970130763.db2.gz DOQITSBGFZVAAE-QWHCGFSZSA-N 1 2 238.306 1.153 20 0 BDADLO CN1CC[C@@H]([NH2+]C2(c3ccccc3)COC2)C1 ZINC001255415853 970136126 /nfs/dbraw/zinc/13/61/26/970136126.db2.gz SJYDQXLIJXAEMT-CYBMUJFWSA-N 1 2 232.327 1.206 20 0 BDADLO Cc1cccc(C2([NH2+][C@@H]3CCN(C)C3)COC2)c1 ZINC001255415206 970136789 /nfs/dbraw/zinc/13/67/89/970136789.db2.gz FGLXZYRXXPRCTK-CQSZACIVSA-N 1 2 246.354 1.514 20 0 BDADLO Cc1ccc(C(=O)CN[C@H]2CC[N@@H+](C)C2)cc1 ZINC001255422746 970146532 /nfs/dbraw/zinc/14/65/32/970146532.db2.gz GZHRXASWMTYXSM-ZDUSSCGKSA-N 1 2 232.327 1.471 20 0 BDADLO Cc1ccc(C(=O)CN[C@H]2CC[N@H+](C)C2)cc1 ZINC001255422746 970146538 /nfs/dbraw/zinc/14/65/38/970146538.db2.gz GZHRXASWMTYXSM-ZDUSSCGKSA-N 1 2 232.327 1.471 20 0 BDADLO CSc1nc(Nc2c[nH+]cn2C)cc(=O)[nH]1 ZINC001211246779 970194873 /nfs/dbraw/zinc/19/48/73/970194873.db2.gz QYCQOXQMWGTJOJ-UHFFFAOYSA-N 1 2 237.288 1.381 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1C(=O)NC2 ZINC001243069555 970260647 /nfs/dbraw/zinc/26/06/47/970260647.db2.gz TUGDDAYXEIXZMS-UHFFFAOYSA-N 1 2 213.240 1.331 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000091810591 970268303 /nfs/dbraw/zinc/26/83/03/970268303.db2.gz XIAIACZJHKLXEQ-JTQLQIEISA-N 1 2 237.347 1.928 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000091810591 970268322 /nfs/dbraw/zinc/26/83/22/970268322.db2.gz XIAIACZJHKLXEQ-JTQLQIEISA-N 1 2 237.347 1.928 20 0 BDADLO Cc1cc(-c2c[nH+]cn2C)ccc1C(N)=O ZINC001243071645 970280217 /nfs/dbraw/zinc/28/02/17/970280217.db2.gz WZLCSUFYNGWAFA-UHFFFAOYSA-N 1 2 215.256 1.494 20 0 BDADLO Cc1c[nH+]cc(Nc2cnn(CCO)c2)c1C ZINC001213524829 970348176 /nfs/dbraw/zinc/34/81/76/970348176.db2.gz GECPJMHPUYRREU-UHFFFAOYSA-N 1 2 232.287 1.631 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001255576615 970378393 /nfs/dbraw/zinc/37/83/93/970378393.db2.gz IOXRVVIHFCGJDW-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001255576615 970378402 /nfs/dbraw/zinc/37/84/02/970378402.db2.gz IOXRVVIHFCGJDW-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001255580820 970385633 /nfs/dbraw/zinc/38/56/33/970385633.db2.gz JDUURRNDJMRYRV-JBDRJPRFSA-N 1 2 239.237 1.425 20 0 BDADLO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001255580820 970385643 /nfs/dbraw/zinc/38/56/43/970385643.db2.gz JDUURRNDJMRYRV-JBDRJPRFSA-N 1 2 239.237 1.425 20 0 BDADLO C[C@H]1CC[C@H]([NH+]2CC(O)(C(F)(F)F)C2)C1 ZINC001170133823 970399041 /nfs/dbraw/zinc/39/90/41/970399041.db2.gz VDTPWPVJCKSDMP-YUMQZZPRSA-N 1 2 223.238 1.784 20 0 BDADLO CNc1nccc(C[N@H+](C)Cc2ccncc2)n1 ZINC000302576513 970448573 /nfs/dbraw/zinc/44/85/73/970448573.db2.gz CVVNJWKGBNIBHO-UHFFFAOYSA-N 1 2 243.314 1.545 20 0 BDADLO CNc1nccc(C[N@@H+](C)Cc2ccncc2)n1 ZINC000302576513 970448578 /nfs/dbraw/zinc/44/85/78/970448578.db2.gz CVVNJWKGBNIBHO-UHFFFAOYSA-N 1 2 243.314 1.545 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC001170169528 970542816 /nfs/dbraw/zinc/54/28/16/970542816.db2.gz DQWIGOPKMKSAMA-QWRGUYRKSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001609888111 970585053 /nfs/dbraw/zinc/58/50/53/970585053.db2.gz DLOKHTUTWCLFEA-CMPLNLGQSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001609888111 970585061 /nfs/dbraw/zinc/58/50/61/970585061.db2.gz DLOKHTUTWCLFEA-CMPLNLGQSA-N 1 2 240.347 1.456 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)CCCF)CC2 ZINC001170269662 970656319 /nfs/dbraw/zinc/65/63/19/970656319.db2.gz ZSAJVPWZZYXKNW-UHFFFAOYSA-N 1 2 237.278 1.298 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)no1 ZINC001256280964 970726661 /nfs/dbraw/zinc/72/66/61/970726661.db2.gz ZPRANMQNKNMJGA-BXKDBHETSA-N 1 2 247.298 1.762 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)[nH]n1 ZINC001256332475 970740172 /nfs/dbraw/zinc/74/01/72/970740172.db2.gz PXMSYBDWVKURMH-MFKMUULPSA-N 1 2 235.331 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)[nH]n1 ZINC001256332475 970740180 /nfs/dbraw/zinc/74/01/80/970740180.db2.gz PXMSYBDWVKURMH-MFKMUULPSA-N 1 2 235.331 1.717 20 0 BDADLO C[C@@H](C(=O)NCc1ncccc1F)n1cc[nH+]c1 ZINC001256346956 970745546 /nfs/dbraw/zinc/74/55/46/970745546.db2.gz OETLJOZBCPAKON-VIFPVBQESA-N 1 2 248.261 1.295 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1C ZINC001144108022 972573284 /nfs/dbraw/zinc/57/32/84/972573284.db2.gz RUCMGAIWJMKQQE-GFCCVEGCSA-N 1 2 249.310 1.838 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(O)c1C ZINC001144108022 972573293 /nfs/dbraw/zinc/57/32/93/972573293.db2.gz RUCMGAIWJMKQQE-GFCCVEGCSA-N 1 2 249.310 1.838 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001144116901 972589943 /nfs/dbraw/zinc/58/99/43/972589943.db2.gz DVWKGOKZMZAZHU-TXEJJXNPSA-N 1 2 219.284 1.674 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001144116901 972589952 /nfs/dbraw/zinc/58/99/52/972589952.db2.gz DVWKGOKZMZAZHU-TXEJJXNPSA-N 1 2 219.284 1.674 20 0 BDADLO Cc1c(O)cccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC001144118719 972590921 /nfs/dbraw/zinc/59/09/21/972590921.db2.gz HJCYSQDMMRBACO-UHFFFAOYSA-N 1 2 248.326 1.411 20 0 BDADLO Cc1c(O)cccc1C[N@H+]1CCNC(=O)C1(C)C ZINC001144118719 972590930 /nfs/dbraw/zinc/59/09/30/972590930.db2.gz HJCYSQDMMRBACO-UHFFFAOYSA-N 1 2 248.326 1.411 20 0 BDADLO C[C@@H]1COCC[C@@H]1OCc1c[nH+]cn1C ZINC001222601155 972597251 /nfs/dbraw/zinc/59/72/51/972597251.db2.gz YNTIWHYYEOILDF-KOLCDFICSA-N 1 2 210.277 1.362 20 0 BDADLO CC[C@H]([NH2+]Cc1ncn[nH]1)C1CCOCC1 ZINC001327519201 972607871 /nfs/dbraw/zinc/60/78/71/972607871.db2.gz LGYPRKHUZLWTPB-JTQLQIEISA-N 1 2 224.308 1.100 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCC1=O ZINC001144168574 972666124 /nfs/dbraw/zinc/66/61/24/972666124.db2.gz CZOQXIYVOJOBKX-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCC1=O ZINC001144168574 972666131 /nfs/dbraw/zinc/66/61/31/972666131.db2.gz CZOQXIYVOJOBKX-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+]Cc1nccn1C ZINC001327679950 972697983 /nfs/dbraw/zinc/69/79/83/972697983.db2.gz KVTGJQWIDGPVNO-SECBINFHSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC001327790942 972734213 /nfs/dbraw/zinc/73/42/13/972734213.db2.gz FJUPDQKTXYJJKO-LDYMZIIASA-N 1 2 246.318 1.116 20 0 BDADLO CCc1cccc(C[NH+]2CC3(C2)CS(=O)C3)c1 ZINC001144318612 972768037 /nfs/dbraw/zinc/76/80/37/972768037.db2.gz GFMSCPAXCPXRDY-UHFFFAOYSA-N 1 2 249.379 1.813 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(OC)cn1)C2 ZINC001144430390 972815546 /nfs/dbraw/zinc/81/55/46/972815546.db2.gz GENMFCUPYKUWCS-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(OC)cn1)C2 ZINC001144430390 972815551 /nfs/dbraw/zinc/81/55/51/972815551.db2.gz GENMFCUPYKUWCS-JSGCOSHPSA-N 1 2 248.326 1.844 20 0 BDADLO C[NH+]1CC(OCc2noc(-c3ccccc3)n2)C1 ZINC001223091371 972839063 /nfs/dbraw/zinc/83/90/63/972839063.db2.gz KQYLHUQPIRUFLL-UHFFFAOYSA-N 1 2 245.282 1.567 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C=CCCC1 ZINC001328169474 972888874 /nfs/dbraw/zinc/88/88/74/972888874.db2.gz BBWXTCAWKVEOSZ-IJLUTSLNSA-N 1 2 245.326 1.749 20 0 BDADLO C[NH+]1CC(O[C@H]2OC(=O)c3ccccc32)C1 ZINC001223315672 972941154 /nfs/dbraw/zinc/94/11/54/972941154.db2.gz GNGFKFGMTUJDJT-LBPRGKRZSA-N 1 2 219.240 1.186 20 0 BDADLO CCc1[nH]nc(NC(=O)Cc2[nH]cc[nH+]2)c1C ZINC001328343069 972981178 /nfs/dbraw/zinc/98/11/78/972981178.db2.gz RUCQCAKVEZQQJB-UHFFFAOYSA-N 1 2 233.275 1.185 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001328382026 973006915 /nfs/dbraw/zinc/00/69/15/973006915.db2.gz WDDOWPPKUJGSQZ-RYUDHWBXSA-N 1 2 234.347 1.859 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001328382026 973006927 /nfs/dbraw/zinc/00/69/27/973006927.db2.gz WDDOWPPKUJGSQZ-RYUDHWBXSA-N 1 2 234.347 1.859 20 0 BDADLO Cc1ccc2nc(COC3C[NH+](C)C3)cn2c1 ZINC001223368183 973033377 /nfs/dbraw/zinc/03/33/77/973033377.db2.gz VGXREWUDOZYNLV-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO CNc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cn1 ZINC001328593552 973172521 /nfs/dbraw/zinc/17/25/21/973172521.db2.gz LLXXQDIYMZTXGK-SECBINFHSA-N 1 2 245.286 1.520 20 0 BDADLO c1c(C[N@@H+]2CC[C@@]23CCOC3)nn2c1CCC2 ZINC001328619504 973201923 /nfs/dbraw/zinc/20/19/23/973201923.db2.gz KNZGXMBJBUHYIY-ZDUSSCGKSA-N 1 2 233.315 1.194 20 0 BDADLO c1c(C[N@H+]2CC[C@@]23CCOC3)nn2c1CCC2 ZINC001328619504 973201945 /nfs/dbraw/zinc/20/19/45/973201945.db2.gz KNZGXMBJBUHYIY-ZDUSSCGKSA-N 1 2 233.315 1.194 20 0 BDADLO O=C(C1=CCCCC1)N1CCc2[nH+]ccn2CC1 ZINC001146714373 973229757 /nfs/dbraw/zinc/22/97/57/973229757.db2.gz NCAVHZBFOWERDV-UHFFFAOYSA-N 1 2 245.326 1.768 20 0 BDADLO COC(=O)c1ccc([C@H](C)OC2C[NH+](C)C2)cc1 ZINC001223746872 973245039 /nfs/dbraw/zinc/24/50/39/973245039.db2.gz DFZHEBMMMJGMDX-JTQLQIEISA-N 1 2 249.310 1.865 20 0 BDADLO C[C@@H](C(=O)NC1(C)CC=CC1)n1cc[nH+]c1 ZINC001329089898 973473552 /nfs/dbraw/zinc/47/35/52/973473552.db2.gz UNHKJQWKVIXOMR-JTQLQIEISA-N 1 2 219.288 1.669 20 0 BDADLO C[C@@H](c1nc([C@@H]2C[C@H]2C)no1)n1cc[nH+]c1 ZINC001329105107 973483181 /nfs/dbraw/zinc/48/31/81/973483181.db2.gz OOSPPONLRQKQGI-HRDYMLBCSA-N 1 2 218.260 1.999 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cscn2)[nH+]1 ZINC001147370115 973574687 /nfs/dbraw/zinc/57/46/87/973574687.db2.gz XNHLTKQZYKJDEJ-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO CCc1cc(C(=O)NCCn2cc[nH+]c2)cs1 ZINC001147702873 973737856 /nfs/dbraw/zinc/73/78/56/973737856.db2.gz YLXNTXYHIASWGM-UHFFFAOYSA-N 1 2 249.339 1.937 20 0 BDADLO Cc1nc(Cn2c[nH+]c(C(C)(C)C)c2)no1 ZINC001329721707 973899425 /nfs/dbraw/zinc/89/94/25/973899425.db2.gz AWGVNMDGIDQPEM-UHFFFAOYSA-N 1 2 220.276 1.920 20 0 BDADLO OC1CCC(C[N@@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC001329896013 974013011 /nfs/dbraw/zinc/01/30/11/974013011.db2.gz VOSGVGOOWZJZAF-VQXHTEKXSA-N 1 2 249.301 1.239 20 0 BDADLO OC1CCC(C[N@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC001329896013 974013024 /nfs/dbraw/zinc/01/30/24/974013024.db2.gz VOSGVGOOWZJZAF-VQXHTEKXSA-N 1 2 249.301 1.239 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC001247961801 974038662 /nfs/dbraw/zinc/03/86/62/974038662.db2.gz VPAQBDDBCBDZOE-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO CCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094274607 974056453 /nfs/dbraw/zinc/05/64/53/974056453.db2.gz UVMDVZAOKPYUFU-UHFFFAOYSA-N 1 2 222.292 1.113 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC(C)(C)C)c1 ZINC000170283033 974077253 /nfs/dbraw/zinc/07/72/53/974077253.db2.gz LVESFZUEVRTYJP-UHFFFAOYSA-N 1 2 224.308 1.060 20 0 BDADLO CN(C)C(=O)N1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC001171530854 974084957 /nfs/dbraw/zinc/08/49/57/974084957.db2.gz SZILBDSUMIHCOE-NSHDSACASA-N 1 2 248.330 1.640 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@H]1COCO1 ZINC001224964081 974106154 /nfs/dbraw/zinc/10/61/54/974106154.db2.gz SUFNKWIKLFVQKA-JTQLQIEISA-N 1 2 231.292 1.560 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2cncs2)o1 ZINC001330098914 974106544 /nfs/dbraw/zinc/10/65/44/974106544.db2.gz IORLUMIHCYOCSN-UHFFFAOYSA-N 1 2 238.316 1.373 20 0 BDADLO CCOC(=[NH2+])CCCCOC1COCOC1 ZINC001224964064 974106996 /nfs/dbraw/zinc/10/69/96/974106996.db2.gz SHJJICPDSNVZJN-UHFFFAOYSA-N 1 2 231.292 1.560 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1cccc(F)c1O ZINC001171638254 974137232 /nfs/dbraw/zinc/13/72/32/974137232.db2.gz TXZJVVGPBQXGJQ-UHFFFAOYSA-N 1 2 249.245 1.446 20 0 BDADLO Fc1cccc2c1C[C@H]([N@@H+]1CCC13COC3)C2 ZINC001171804312 974195726 /nfs/dbraw/zinc/19/57/26/974195726.db2.gz CZLOITOBANALEJ-LLVKDONJSA-N 1 2 233.286 1.768 20 0 BDADLO Fc1cccc2c1C[C@H]([N@H+]1CCC13COC3)C2 ZINC001171804312 974195741 /nfs/dbraw/zinc/19/57/41/974195741.db2.gz CZLOITOBANALEJ-LLVKDONJSA-N 1 2 233.286 1.768 20 0 BDADLO Fc1cccc2c1C[C@H]([N@@H+]1CCO[C@@H]3C[C@@H]31)C2 ZINC001171811515 974200260 /nfs/dbraw/zinc/20/02/60/974200260.db2.gz ZAIVACNJCRWWDC-DDTOSNHZSA-N 1 2 233.286 1.766 20 0 BDADLO Fc1cccc2c1C[C@H]([N@H+]1CCO[C@@H]3C[C@@H]31)C2 ZINC001171811515 974200267 /nfs/dbraw/zinc/20/02/67/974200267.db2.gz ZAIVACNJCRWWDC-DDTOSNHZSA-N 1 2 233.286 1.766 20 0 BDADLO COc1cccc(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001225236417 974286744 /nfs/dbraw/zinc/28/67/44/974286744.db2.gz WFANOHKMLZHPHY-ZDUSSCGKSA-N 1 2 237.299 1.405 20 0 BDADLO COc1cccc(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001225236417 974286751 /nfs/dbraw/zinc/28/67/51/974286751.db2.gz WFANOHKMLZHPHY-ZDUSSCGKSA-N 1 2 237.299 1.405 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001225276758 974341161 /nfs/dbraw/zinc/34/11/61/974341161.db2.gz FAXXQEQQHHYUBT-LBPRGKRZSA-N 1 2 222.288 1.099 20 0 BDADLO COC(=O)C1CC(Oc2cc[nH+]cc2)C1 ZINC001225289494 974361071 /nfs/dbraw/zinc/36/10/71/974361071.db2.gz KCSITIBTYLZADP-UHFFFAOYSA-N 1 2 207.229 1.412 20 0 BDADLO CO[C@H](C)CO[C@@H](C)COc1cc[nH+]cc1 ZINC001225296479 974374175 /nfs/dbraw/zinc/37/41/75/974374175.db2.gz VZMYTTDGKHTETD-MNOVXSKESA-N 1 2 225.288 1.900 20 0 BDADLO C[C@H](C(=O)N1C[C@@H]2CC=CC[C@@H]2C1)n1cc[nH+]c1 ZINC001330668546 974397813 /nfs/dbraw/zinc/39/78/13/974397813.db2.gz NSJSGFJARRSBFM-UPJWGTAASA-N 1 2 245.326 1.869 20 0 BDADLO C[NH+]1CC(Oc2ccc3ncccc3c2)C1 ZINC001225329755 974405600 /nfs/dbraw/zinc/40/56/00/974405600.db2.gz WJJFMAOZRQWBMG-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO CC[NH+]1CC(Oc2ccc(F)cc2OC)C1 ZINC001225343256 974421190 /nfs/dbraw/zinc/42/11/90/974421190.db2.gz QTMJXDRAQFWMFR-UHFFFAOYSA-N 1 2 225.263 1.917 20 0 BDADLO Cc1ccncc1O[C@H](C)C[NH+]1CCOCC1 ZINC001225410833 974469880 /nfs/dbraw/zinc/46/98/80/974469880.db2.gz HGKYEAJREPFAIM-GFCCVEGCSA-N 1 2 236.315 1.490 20 0 BDADLO Cc1ccncc1OC1C[NH+](C(C)C)C1 ZINC001225412120 974474284 /nfs/dbraw/zinc/47/42/84/974474284.db2.gz ZOQOOLFALOVDEG-UHFFFAOYSA-N 1 2 206.289 1.861 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)nc3ccnn32)C1 ZINC001225467998 974511815 /nfs/dbraw/zinc/51/18/15/974511815.db2.gz HLMAHIOKTHODGA-UHFFFAOYSA-N 1 2 232.287 1.121 20 0 BDADLO CCn1ncc(C[NH2+]C(C)(C)CF)n1 ZINC001330868088 974513415 /nfs/dbraw/zinc/51/34/15/974513415.db2.gz TVUONKVZHFVUEE-UHFFFAOYSA-N 1 2 200.261 1.136 20 0 BDADLO C[N@H+](Cc1ncccn1)[C@H]1COC(C)(C)C1 ZINC001172283893 974547916 /nfs/dbraw/zinc/54/79/16/974547916.db2.gz MJWBXPUDBNSCRH-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO C[N@@H+](Cc1ncccn1)[C@H]1COC(C)(C)C1 ZINC001172283893 974547921 /nfs/dbraw/zinc/54/79/21/974547921.db2.gz MJWBXPUDBNSCRH-SNVBAGLBSA-N 1 2 221.304 1.476 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2nc3ccccc3[nH]2)C1 ZINC001225583091 974566062 /nfs/dbraw/zinc/56/60/62/974566062.db2.gz MJIRARQXFXMLMV-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2nc3ccccc3[nH]2)C1 ZINC001225583091 974566067 /nfs/dbraw/zinc/56/60/67/974566067.db2.gz MJIRARQXFXMLMV-JTQLQIEISA-N 1 2 247.298 1.272 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2nc(=O)[nH]cc2F)CC1 ZINC001225881159 974711977 /nfs/dbraw/zinc/71/19/77/974711977.db2.gz FMGPZUGYRPVSOP-QMMMGPOBSA-N 1 2 241.266 1.184 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2nc(=O)[nH]cc2F)CC1 ZINC001225881159 974711982 /nfs/dbraw/zinc/71/19/82/974711982.db2.gz FMGPZUGYRPVSOP-QMMMGPOBSA-N 1 2 241.266 1.184 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cccc(F)c2F)C1 ZINC001225924049 974730182 /nfs/dbraw/zinc/73/01/82/974730182.db2.gz JGSAGMVSMNGJRU-SECBINFHSA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cccc(F)c2F)C1 ZINC001225924049 974730187 /nfs/dbraw/zinc/73/01/87/974730187.db2.gz JGSAGMVSMNGJRU-SECBINFHSA-N 1 2 243.253 1.674 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H](CC)CC(C)C ZINC001172387462 974734444 /nfs/dbraw/zinc/73/44/44/974734444.db2.gz XAQDDVKBMIGNGZ-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC2)CC1(C)C ZINC001331503654 974742453 /nfs/dbraw/zinc/74/24/53/974742453.db2.gz KIJFRQIBUNUFCL-ZDUSSCGKSA-N 1 2 239.407 1.545 20 0 BDADLO Cc1ncoc1-c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001331584907 974767996 /nfs/dbraw/zinc/76/79/96/974767996.db2.gz WXGATHHZPZNYPN-QMMMGPOBSA-N 1 2 245.242 1.839 20 0 BDADLO C[C@H](c1nc(C2CSC2)no1)n1cc[nH+]c1 ZINC001331604866 974776079 /nfs/dbraw/zinc/77/60/79/974776079.db2.gz YBMYSPCAOKWVQX-SSDOTTSWSA-N 1 2 236.300 1.706 20 0 BDADLO Cc1cc(=O)[nH]c(O[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC001226154957 974811016 /nfs/dbraw/zinc/81/10/16/974811016.db2.gz BJOIKKCPMOGEQU-JTQLQIEISA-N 1 2 237.303 1.352 20 0 BDADLO Cc1cc(=O)[nH]c(O[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC001226154957 974811017 /nfs/dbraw/zinc/81/10/17/974811017.db2.gz BJOIKKCPMOGEQU-JTQLQIEISA-N 1 2 237.303 1.352 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOC(C)(C)C ZINC001331866624 974844091 /nfs/dbraw/zinc/84/40/91/974844091.db2.gz RWLBTCVYIAGRET-QMMMGPOBSA-N 1 2 225.292 1.435 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOC(C)(C)C ZINC001331866624 974844088 /nfs/dbraw/zinc/84/40/88/974844088.db2.gz RWLBTCVYIAGRET-QMMMGPOBSA-N 1 2 225.292 1.435 20 0 BDADLO Cc1c([C@@H](C)Nc2cc(CO)cc[nH+]2)cnn1C ZINC001331898277 974856844 /nfs/dbraw/zinc/85/68/44/974856844.db2.gz TVMOUEATZZBFNG-SECBINFHSA-N 1 2 246.314 1.789 20 0 BDADLO Cc1noc(C)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001331909568 974859941 /nfs/dbraw/zinc/85/99/41/974859941.db2.gz HGJWSZWURYOMGY-UHFFFAOYSA-N 1 2 220.232 1.196 20 0 BDADLO O=C(CC1COC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001331909627 974860249 /nfs/dbraw/zinc/86/02/49/974860249.db2.gz IDWQNCTVCXDOAH-LBPRGKRZSA-N 1 2 249.314 1.083 20 0 BDADLO CC(C)([NH2+]Cc1nnc[nH]1)c1ccc(F)cc1 ZINC001331950568 974885576 /nfs/dbraw/zinc/88/55/76/974885576.db2.gz VBXQCHDBIHRWJR-UHFFFAOYSA-N 1 2 234.278 1.969 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001172611800 974887423 /nfs/dbraw/zinc/88/74/23/974887423.db2.gz QQWAUIFHMRQCEL-UKKRHICBSA-N 1 2 247.285 1.710 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC(F)C2)CC1 ZINC001172781583 974938118 /nfs/dbraw/zinc/93/81/18/974938118.db2.gz JKDOLGWGPJRPPG-MWLCHTKSSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC(=O)C2)CC1 ZINC001172793465 974942408 /nfs/dbraw/zinc/94/24/08/974942408.db2.gz YZHHSNGQFWJNMT-MNOVXSKESA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC(=O)C2)CC1 ZINC001172793465 974942412 /nfs/dbraw/zinc/94/24/12/974942412.db2.gz YZHHSNGQFWJNMT-MNOVXSKESA-N 1 2 239.315 1.383 20 0 BDADLO CO[C@H]1CCC[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929462 974979712 /nfs/dbraw/zinc/97/97/12/974979712.db2.gz DZYYKZWJWOOGNP-VWYCJHECSA-N 1 2 249.301 1.646 20 0 BDADLO CO[C@H]1CCC[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929462 974979719 /nfs/dbraw/zinc/97/97/19/974979719.db2.gz DZYYKZWJWOOGNP-VWYCJHECSA-N 1 2 249.301 1.646 20 0 BDADLO O=C(N[C@H]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332455443 975138644 /nfs/dbraw/zinc/13/86/44/975138644.db2.gz KMCNRYYRPHIEKK-HBNTYKKESA-N 1 2 249.314 1.199 20 0 BDADLO O=C(N[C@H]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332455443 975138651 /nfs/dbraw/zinc/13/86/51/975138651.db2.gz KMCNRYYRPHIEKK-HBNTYKKESA-N 1 2 249.314 1.199 20 0 BDADLO C[NH+]1CC(Oc2ccccc2N2CCCC2)C1 ZINC001227195850 975310417 /nfs/dbraw/zinc/31/04/17/975310417.db2.gz IOVGXWJXIGEXGU-UHFFFAOYSA-N 1 2 232.327 1.980 20 0 BDADLO C[C@@H](C(=O)N1CCO[C@H](C)CC1)n1cc[nH+]c1 ZINC001332926711 975325074 /nfs/dbraw/zinc/32/50/74/975325074.db2.gz VDGGBELWAJTPAG-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO C[C@@H](C(=O)N1CCO[C@@H](C)CC1)n1cc[nH+]c1 ZINC001332926715 975325279 /nfs/dbraw/zinc/32/52/79/975325279.db2.gz VDGGBELWAJTPAG-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1ccnc(C)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001227263081 975339534 /nfs/dbraw/zinc/33/95/34/975339534.db2.gz BWFHAAJWRONJJC-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1ccnc(C)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001227263081 975339542 /nfs/dbraw/zinc/33/95/42/975339542.db2.gz BWFHAAJWRONJJC-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO C[N@@H+]1CCC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271406 975347605 /nfs/dbraw/zinc/34/76/05/975347605.db2.gz VNWCRHYFTSCDTP-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO C[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271406 975347613 /nfs/dbraw/zinc/34/76/13/975347613.db2.gz VNWCRHYFTSCDTP-QMMMGPOBSA-N 1 2 248.286 1.137 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1ccccc1O ZINC001227486600 975474605 /nfs/dbraw/zinc/47/46/05/975474605.db2.gz RLJJNJQXVJPPCB-NSHDSACASA-N 1 2 237.299 1.492 20 0 BDADLO Cc1ccc(O)c(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001227538556 975527087 /nfs/dbraw/zinc/52/70/87/975527087.db2.gz KJHTZNMJEFZCBX-NSHDSACASA-N 1 2 237.299 1.410 20 0 BDADLO Cc1ccc(O)c(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001227538556 975527101 /nfs/dbraw/zinc/52/71/01/975527101.db2.gz KJHTZNMJEFZCBX-NSHDSACASA-N 1 2 237.299 1.410 20 0 BDADLO CCc1nc(N2CC[C@@H](C(=O)OC)C2)cc[nH+]1 ZINC001333349334 975692617 /nfs/dbraw/zinc/69/26/17/975692617.db2.gz CXLGLEMJFXCDCV-SECBINFHSA-N 1 2 235.287 1.038 20 0 BDADLO CC[NH+]1CC(Oc2cnc(C(F)(F)F)nc2)C1 ZINC001227958767 975812439 /nfs/dbraw/zinc/81/24/39/975812439.db2.gz RBZIXNAWNFELDS-UHFFFAOYSA-N 1 2 247.220 1.578 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc(O)cn2)C1 ZINC001228035459 975859476 /nfs/dbraw/zinc/85/94/76/975859476.db2.gz ORUARMQJJGBMKY-UHFFFAOYSA-N 1 2 208.261 1.259 20 0 BDADLO c1nonc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001333588203 975870429 /nfs/dbraw/zinc/87/04/29/975870429.db2.gz STWLLDBVNZPVJO-GFCCVEGCSA-N 1 2 230.271 1.706 20 0 BDADLO Cc1n[nH]c(=O)c(C[NH2+][C@H](C)c2ncco2)c1C ZINC001333596688 975878237 /nfs/dbraw/zinc/87/82/37/975878237.db2.gz LILVCGJLEDGILN-SECBINFHSA-N 1 2 248.286 1.638 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001333680396 975988869 /nfs/dbraw/zinc/98/88/69/975988869.db2.gz UDNPMWFKZZEBNM-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001333680396 975988908 /nfs/dbraw/zinc/98/89/08/975988908.db2.gz UDNPMWFKZZEBNM-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO O=c1cc(N2CCC[C@H](n3cc[nH+]c3)C2)nc[nH]1 ZINC001333696309 976000777 /nfs/dbraw/zinc/00/07/77/976000777.db2.gz JDJSVSSHKALPRO-JTQLQIEISA-N 1 2 245.286 1.220 20 0 BDADLO C[C@H](C(=O)N[C@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001333813546 976101593 /nfs/dbraw/zinc/10/15/93/976101593.db2.gz CCMKYPJHULGEEQ-MXWKQRLJSA-N 1 2 221.304 1.749 20 0 BDADLO OCc1n[nH]c(C[NH2+]CC=Cc2ccccc2)n1 ZINC001204136488 976232805 /nfs/dbraw/zinc/23/28/05/976232805.db2.gz NETAZUQPYUASAI-QPJJXVBHSA-N 1 2 244.298 1.100 20 0 BDADLO Cc1nc(F)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001228557310 976323958 /nfs/dbraw/zinc/32/39/58/976323958.db2.gz YXWOCAREJCXJNP-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO Cc1nc(F)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001228557310 976323971 /nfs/dbraw/zinc/32/39/71/976323971.db2.gz YXWOCAREJCXJNP-JTQLQIEISA-N 1 2 240.278 1.239 20 0 BDADLO O=C(NCC[NH+]1CC=CC1)c1ccc(F)s1 ZINC001334149263 976337992 /nfs/dbraw/zinc/33/79/92/976337992.db2.gz YDNWMDBQCUWGGH-UHFFFAOYSA-N 1 2 240.303 1.489 20 0 BDADLO C[NH+]1CC(Oc2ccc3nccnc3c2)C1 ZINC001228603228 976374028 /nfs/dbraw/zinc/37/40/28/976374028.db2.gz AKWYUXOUERYZMF-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO CC[NH+]1CCC(Oc2ccc3nn[nH]c3c2)CC1 ZINC001228663830 976420718 /nfs/dbraw/zinc/42/07/18/976420718.db2.gz GWGOBZVGWLWEQO-UHFFFAOYSA-N 1 2 246.314 1.821 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CC[C@]12CCOC2 ZINC001334290145 976430150 /nfs/dbraw/zinc/43/01/50/976430150.db2.gz OXVXZJYZNKIVPC-GFCCVEGCSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CC[C@]12CCOC2 ZINC001334290145 976430156 /nfs/dbraw/zinc/43/01/56/976430156.db2.gz OXVXZJYZNKIVPC-GFCCVEGCSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC001334355714 976466405 /nfs/dbraw/zinc/46/64/05/976466405.db2.gz PIPZSKDEVIVVFC-HTQZYQBOSA-N 1 2 249.318 1.832 20 0 BDADLO C[C@H](C(=O)N(C)CCCF)n1cc[nH+]c1 ZINC001334379226 976477444 /nfs/dbraw/zinc/47/74/44/976477444.db2.gz PYJXAPUYMWRNNC-SECBINFHSA-N 1 2 213.256 1.262 20 0 BDADLO c1cn2cc(Nc3nnco3)ccc2[nH+]1 ZINC001174276510 976507401 /nfs/dbraw/zinc/50/74/01/976507401.db2.gz ZRSMZQPPXJGTGS-UHFFFAOYSA-N 1 2 201.189 1.461 20 0 BDADLO Cc1cccc(Nc2ccc(=O)n(C)c2)[nH+]1 ZINC001174353732 976515282 /nfs/dbraw/zinc/51/52/82/976515282.db2.gz HSBIFSVCDFZWAG-UHFFFAOYSA-N 1 2 215.256 1.832 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C1CC1 ZINC001334433081 976516634 /nfs/dbraw/zinc/51/66/34/976516634.db2.gz GNDYDNWYYREEOZ-JDEDCZITSA-N 1 2 245.326 1.606 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(C)nn1 ZINC001334662446 976579034 /nfs/dbraw/zinc/57/90/34/976579034.db2.gz UHMPVVUYICSBPJ-CQSZACIVSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)c(C)nn1 ZINC001334662446 976579037 /nfs/dbraw/zinc/57/90/37/976579037.db2.gz UHMPVVUYICSBPJ-CQSZACIVSA-N 1 2 249.358 1.950 20 0 BDADLO CCOc1cccnc1OC1C[NH+](C(C)C)C1 ZINC001229156943 976780432 /nfs/dbraw/zinc/78/04/32/976780432.db2.gz LNSNEFSPAFBILF-UHFFFAOYSA-N 1 2 236.315 1.952 20 0 BDADLO CC[NH+]1CC(Oc2[nH]c(=O)cc3c2CCCC3)C1 ZINC001229175663 976788089 /nfs/dbraw/zinc/78/80/89/976788089.db2.gz QUBPATALZUTTHJ-UHFFFAOYSA-N 1 2 248.326 1.749 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1ncccc1C ZINC001335132318 976859744 /nfs/dbraw/zinc/85/97/44/976859744.db2.gz LMPJCJDORRGZFB-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO Cc1cc(-n2ccc(=O)c(N)c2)cc[nH+]1 ZINC001174653654 976937298 /nfs/dbraw/zinc/93/72/98/976937298.db2.gz JDRZYQQJIKNKHA-UHFFFAOYSA-N 1 2 201.229 1.123 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@H]21)n1cc[nH+]c1 ZINC001335362776 976997513 /nfs/dbraw/zinc/99/75/13/976997513.db2.gz VXSOEAKJDQASIS-DDHJBXDOSA-N 1 2 233.315 1.749 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C(N)=O)c(F)c2)C1 ZINC001229890857 977014140 /nfs/dbraw/zinc/01/41/40/977014140.db2.gz JXNJCNSWATYLOV-UHFFFAOYSA-N 1 2 238.262 1.008 20 0 BDADLO CC(C)[NH+]1CC(Oc2cnc3ccnn3c2)C1 ZINC001229900038 977020445 /nfs/dbraw/zinc/02/04/45/977020445.db2.gz GJCHFHUOUNYYPD-UHFFFAOYSA-N 1 2 232.287 1.201 20 0 BDADLO CN(C(=O)Cn1c[nH+]c(C(C)(C)C)c1)C1CC1 ZINC001335489489 977095834 /nfs/dbraw/zinc/09/58/34/977095834.db2.gz DRISBMBBHGXPFD-UHFFFAOYSA-N 1 2 235.331 1.801 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1cnnn1C ZINC001330810949 977108276 /nfs/dbraw/zinc/10/82/76/977108276.db2.gz PCUCKFKBGHXPMU-UHFFFAOYSA-N 1 2 245.286 1.170 20 0 BDADLO c1[nH+]cn2ccnc(N3CCC[C@H]4C[C@H]43)c12 ZINC001335520489 977114668 /nfs/dbraw/zinc/11/46/68/977114668.db2.gz QWCQLSCWHAYMTJ-VHSXEESVSA-N 1 2 214.272 1.718 20 0 BDADLO C[NH+]1CC(Oc2ncnc3c(F)cccc23)C1 ZINC001230356817 977197318 /nfs/dbraw/zinc/19/73/18/977197318.db2.gz XDLQTTOQBQTJAH-UHFFFAOYSA-N 1 2 233.246 1.462 20 0 BDADLO CN(C)c1ccc(Nc2cc3n(n2)CCO3)c[nH+]1 ZINC001175341726 977365412 /nfs/dbraw/zinc/36/54/12/977365412.db2.gz JFIBCBNXCGVPAF-UHFFFAOYSA-N 1 2 245.286 1.480 20 0 BDADLO CN(C)c1ccc(Nc2cccc(CO)n2)c[nH+]1 ZINC001175342204 977367019 /nfs/dbraw/zinc/36/70/19/977367019.db2.gz PQVNAPPBQKGFHC-UHFFFAOYSA-N 1 2 244.298 1.779 20 0 BDADLO CN1CC(Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230915560 977380214 /nfs/dbraw/zinc/38/02/14/977380214.db2.gz RFYCYJHPGXIWLS-UHFFFAOYSA-N 1 2 232.283 1.060 20 0 BDADLO CN(C)c1ccc(Nc2ccc(=O)[nH]c2)c[nH+]1 ZINC001175339106 977388613 /nfs/dbraw/zinc/38/86/13/977388613.db2.gz WUTJQLSWCIVYOX-UHFFFAOYSA-N 1 2 230.271 1.992 20 0 BDADLO Cc1n[nH]cc1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001336011587 977428480 /nfs/dbraw/zinc/42/84/80/977428480.db2.gz VELGEBDSSHRTGK-UHFFFAOYSA-N 1 2 247.302 1.032 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1nccn1C ZINC001336018819 977432148 /nfs/dbraw/zinc/43/21/48/977432148.db2.gz QQWPGJKJZGABKC-NXEZZACHSA-N 1 2 247.302 1.055 20 0 BDADLO COc1cccc2c(OC3C[NH+](C)C3)ccnc12 ZINC001231056747 977448664 /nfs/dbraw/zinc/44/86/64/977448664.db2.gz UHBLVKZPVMQDBO-UHFFFAOYSA-N 1 2 244.294 1.936 20 0 BDADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCOCC1CC1)C2 ZINC001336174479 977554222 /nfs/dbraw/zinc/55/42/22/977554222.db2.gz OUIOZQQEPOUBIR-UHFFFAOYSA-N 1 2 249.314 1.233 20 0 BDADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCOCC1CC1)C2 ZINC001336174479 977554236 /nfs/dbraw/zinc/55/42/36/977554236.db2.gz OUIOZQQEPOUBIR-UHFFFAOYSA-N 1 2 249.314 1.233 20 0 BDADLO c1[nH]c2cccnc2c1C[NH+]1CCOCC1 ZINC001231486134 977607134 /nfs/dbraw/zinc/60/71/34/977607134.db2.gz MUBBQHWIJGSYQT-UHFFFAOYSA-N 1 2 217.272 1.395 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2CC(=O)c1cccs1 ZINC001277538442 977638747 /nfs/dbraw/zinc/63/87/47/977638747.db2.gz KFOONKWZZMPIRX-AOOOYVTPSA-N 1 2 236.340 1.319 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC(=O)c1cccs1 ZINC001277538442 977638757 /nfs/dbraw/zinc/63/87/57/977638757.db2.gz KFOONKWZZMPIRX-AOOOYVTPSA-N 1 2 236.340 1.319 20 0 BDADLO C[N@H+](Cc1cc2cc[nH]c2cn1)C1COC1 ZINC001231668805 977676415 /nfs/dbraw/zinc/67/64/15/977676415.db2.gz JEICASMPZGIJFH-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO C[N@@H+](Cc1cc2cc[nH]c2cn1)C1COC1 ZINC001231668805 977676432 /nfs/dbraw/zinc/67/64/32/977676432.db2.gz JEICASMPZGIJFH-UHFFFAOYSA-N 1 2 217.272 1.394 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)ncc2[nH]1 ZINC001231669345 977677166 /nfs/dbraw/zinc/67/71/66/977677166.db2.gz HAYGPMZPPVXYHM-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)ncc2[nH]1 ZINC001231669345 977677175 /nfs/dbraw/zinc/67/71/75/977677175.db2.gz HAYGPMZPPVXYHM-TXEJJXNPSA-N 1 2 229.283 1.536 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCC(=O)C(C)(C)C2)n1 ZINC001231674296 977686933 /nfs/dbraw/zinc/68/69/33/977686933.db2.gz NITKONWMOOQXMM-UHFFFAOYSA-N 1 2 248.326 1.897 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCC(=O)C(C)(C)C2)n1 ZINC001231674296 977686942 /nfs/dbraw/zinc/68/69/42/977686942.db2.gz NITKONWMOOQXMM-UHFFFAOYSA-N 1 2 248.326 1.897 20 0 BDADLO COCc1ccc(C[N@@H+]2CCOC3(CC3)C2)o1 ZINC001231695689 977700101 /nfs/dbraw/zinc/70/01/01/977700101.db2.gz XACQVVVDULZRRG-UHFFFAOYSA-N 1 2 237.299 1.791 20 0 BDADLO COCc1ccc(C[N@H+]2CCOC3(CC3)C2)o1 ZINC001231695689 977700119 /nfs/dbraw/zinc/70/01/19/977700119.db2.gz XACQVVVDULZRRG-UHFFFAOYSA-N 1 2 237.299 1.791 20 0 BDADLO CCOc1ncccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001231767637 977743884 /nfs/dbraw/zinc/74/38/84/977743884.db2.gz YBWQOCLEJMFQIH-AWEZNQCLSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ncccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001231767637 977743898 /nfs/dbraw/zinc/74/38/98/977743898.db2.gz YBWQOCLEJMFQIH-AWEZNQCLSA-N 1 2 248.326 1.845 20 0 BDADLO C[C@H](C(=O)N1CCc2ncccc21)n1cc[nH+]c1 ZINC001336544314 977764006 /nfs/dbraw/zinc/76/40/06/977764006.db2.gz OOBPPPBRICODGV-SNVBAGLBSA-N 1 2 242.282 1.428 20 0 BDADLO COc1cnc(C[N@@H+]2CCCC[C@@H](F)C2)cn1 ZINC001231939223 977806009 /nfs/dbraw/zinc/80/60/09/977806009.db2.gz OJPVADKIFUAKEV-SNVBAGLBSA-N 1 2 239.294 1.809 20 0 BDADLO COc1cnc(C[N@H+]2CCCC[C@@H](F)C2)cn1 ZINC001231939223 977806016 /nfs/dbraw/zinc/80/60/16/977806016.db2.gz OJPVADKIFUAKEV-SNVBAGLBSA-N 1 2 239.294 1.809 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cnc1F ZINC001231993159 977827915 /nfs/dbraw/zinc/82/79/15/977827915.db2.gz UEEKCAMNFLTZRQ-GMSGAONNSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cnc1F ZINC001231993159 977827917 /nfs/dbraw/zinc/82/79/17/977827917.db2.gz UEEKCAMNFLTZRQ-GMSGAONNSA-N 1 2 244.697 1.829 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2ncccc2[nH]1 ZINC001232063399 977877116 /nfs/dbraw/zinc/87/71/16/977877116.db2.gz JRNOYAOVBDJEGI-KOLCDFICSA-N 1 2 249.289 1.468 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc2ncccc2[nH]1 ZINC001232063399 977877120 /nfs/dbraw/zinc/87/71/20/977877120.db2.gz JRNOYAOVBDJEGI-KOLCDFICSA-N 1 2 249.289 1.468 20 0 BDADLO CCN(Cc1ccc(C)nc1C)C1C[NH+](C)C1 ZINC001232083599 977886572 /nfs/dbraw/zinc/88/65/72/977886572.db2.gz BISWAUCTXRPCEI-UHFFFAOYSA-N 1 2 233.359 1.834 20 0 BDADLO c1c2ccncc2[nH]c1C[N@H+](C1CC1)C1COC1 ZINC001232096147 977892715 /nfs/dbraw/zinc/89/27/15/977892715.db2.gz WUDMEUYVJSAREZ-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1c2ccncc2[nH]c1C[N@@H+](C1CC1)C1COC1 ZINC001232096147 977892718 /nfs/dbraw/zinc/89/27/18/977892718.db2.gz WUDMEUYVJSAREZ-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO COc1ccnc(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC001232151197 977897649 /nfs/dbraw/zinc/89/76/49/977897649.db2.gz FSXFTJQNRRLEIY-MRVPVSSYSA-N 1 2 242.706 1.310 20 0 BDADLO COc1ccnc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC001232151197 977897650 /nfs/dbraw/zinc/89/76/50/977897650.db2.gz FSXFTJQNRRLEIY-MRVPVSSYSA-N 1 2 242.706 1.310 20 0 BDADLO Cc1scnc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001232202569 977921757 /nfs/dbraw/zinc/92/17/57/977921757.db2.gz CNVGNQRPEXIOLX-WCBMZHEXSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1scnc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001232202569 977921766 /nfs/dbraw/zinc/92/17/66/977921766.db2.gz CNVGNQRPEXIOLX-WCBMZHEXSA-N 1 2 230.308 1.356 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@@H+](C[C@@H](O)C2CC2)C1 ZINC001176145202 977934852 /nfs/dbraw/zinc/93/48/52/977934852.db2.gz KOMASCWHVVQDII-NOZJJQNGSA-N 1 2 235.331 1.175 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@H+](C[C@@H](O)C2CC2)C1 ZINC001176145202 977934862 /nfs/dbraw/zinc/93/48/62/977934862.db2.gz KOMASCWHVVQDII-NOZJJQNGSA-N 1 2 235.331 1.175 20 0 BDADLO COc1cc[nH+]cc1Nc1cnccc1C(N)=O ZINC001176118499 977943306 /nfs/dbraw/zinc/94/33/06/977943306.db2.gz MHXBPJXKFIURNB-UHFFFAOYSA-N 1 2 244.254 1.328 20 0 BDADLO COc1cc[nH+]cc1Nc1cnc(N(C)C)nc1 ZINC001176118272 977944384 /nfs/dbraw/zinc/94/43/84/977944384.db2.gz HUWBABFZFVXCNV-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO COc1cc[nH+]cc1-n1cnc(N)c2ccnc1-2 ZINC001176116809 977945404 /nfs/dbraw/zinc/94/54/04/977945404.db2.gz LDGOPMPTTJCOMY-UHFFFAOYSA-N 1 2 241.254 1.358 20 0 BDADLO COc1cc[nH+]cc1Nc1ccnnc1 ZINC001176116556 977945815 /nfs/dbraw/zinc/94/58/15/977945815.db2.gz GBGUCMMXHLLWKU-UHFFFAOYSA-N 1 2 202.217 1.624 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)s1 ZINC001232246197 977973630 /nfs/dbraw/zinc/97/36/30/977973630.db2.gz ZZYGXHOEUDZDRH-XHNCKOQMSA-N 1 2 227.308 1.779 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)s1 ZINC001232246197 977973633 /nfs/dbraw/zinc/97/36/33/977973633.db2.gz ZZYGXHOEUDZDRH-XHNCKOQMSA-N 1 2 227.308 1.779 20 0 BDADLO COCc1cccc(C[NH+]2CC3(COC3)C2)n1 ZINC001232250635 977977097 /nfs/dbraw/zinc/97/70/97/977977097.db2.gz CAEUOPOZTVRGDN-UHFFFAOYSA-N 1 2 234.299 1.060 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](OC(C)C)C2)s1 ZINC001232246648 977977426 /nfs/dbraw/zinc/97/74/26/977977426.db2.gz KZHCRDUCDFOZND-JTQLQIEISA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](OC(C)C)C2)s1 ZINC001232246648 977977437 /nfs/dbraw/zinc/97/74/37/977977437.db2.gz KZHCRDUCDFOZND-JTQLQIEISA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nc(N)ccc1C[N@H+](C1CC1)C1COC1 ZINC001232341439 978023038 /nfs/dbraw/zinc/02/30/38/978023038.db2.gz WNOYWBIDPFEBKN-UHFFFAOYSA-N 1 2 233.315 1.335 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+](C1CC1)C1COC1 ZINC001232341439 978023049 /nfs/dbraw/zinc/02/30/49/978023049.db2.gz WNOYWBIDPFEBKN-UHFFFAOYSA-N 1 2 233.315 1.335 20 0 BDADLO Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cn1 ZINC001232371141 978042642 /nfs/dbraw/zinc/04/26/42/978042642.db2.gz POUVYOQIKQHLQR-GHMZBOCLSA-N 1 2 219.288 1.027 20 0 BDADLO Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cn1 ZINC001232371141 978042662 /nfs/dbraw/zinc/04/26/62/978042662.db2.gz POUVYOQIKQHLQR-GHMZBOCLSA-N 1 2 219.288 1.027 20 0 BDADLO Cc1nc([C@@H](C)Nc2cc(CO)cc[nH+]2)no1 ZINC001336922629 978057658 /nfs/dbraw/zinc/05/76/58/978057658.db2.gz LNABFCLDFILEMO-SSDOTTSWSA-N 1 2 234.259 1.438 20 0 BDADLO Cc1nc([C@H](C)Nc2cc(CO)cc[nH+]2)no1 ZINC001336922630 978057839 /nfs/dbraw/zinc/05/78/39/978057839.db2.gz LNABFCLDFILEMO-ZETCQYMHSA-N 1 2 234.259 1.438 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC001232458349 978085494 /nfs/dbraw/zinc/08/54/94/978085494.db2.gz FPEBTLUVIYFMNC-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC001232458349 978085505 /nfs/dbraw/zinc/08/55/05/978085505.db2.gz FPEBTLUVIYFMNC-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC001232458349 978085516 /nfs/dbraw/zinc/08/55/16/978085516.db2.gz FPEBTLUVIYFMNC-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC001232458349 978085526 /nfs/dbraw/zinc/08/55/26/978085526.db2.gz FPEBTLUVIYFMNC-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO Cc1[nH]c(CN2CCOCC(F)(F)C2)c[nH+]1 ZINC001232458620 978089234 /nfs/dbraw/zinc/08/92/34/978089234.db2.gz OCXFGCXWRVMERN-UHFFFAOYSA-N 1 2 231.246 1.186 20 0 BDADLO Cc1[nH]cc(CN2CCOCC(F)(F)C2)[nH+]1 ZINC001232458620 978089244 /nfs/dbraw/zinc/08/92/44/978089244.db2.gz OCXFGCXWRVMERN-UHFFFAOYSA-N 1 2 231.246 1.186 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cccnc2)c[nH+]1 ZINC001232457995 978092233 /nfs/dbraw/zinc/09/22/33/978092233.db2.gz AYQQNCKQZSZWMR-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2cccnc2)[nH+]1 ZINC001232457995 978092242 /nfs/dbraw/zinc/09/22/42/978092242.db2.gz AYQQNCKQZSZWMR-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](F)C[C@H]2CF)c[nH+]1 ZINC001232460726 978095240 /nfs/dbraw/zinc/09/52/40/978095240.db2.gz USRIBVVTRUXRGY-WPRPVWTQSA-N 1 2 215.247 1.600 20 0 BDADLO C[C@H](C(=O)Nc1ccc(O)cc1O)n1cc[nH+]c1 ZINC001176488524 978098196 /nfs/dbraw/zinc/09/81/96/978098196.db2.gz HJOQQWCMEJYUGW-MRVPVSSYSA-N 1 2 247.254 1.494 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)C[C@H]2C)c[nH+]1 ZINC001232460720 978101089 /nfs/dbraw/zinc/10/10/89/978101089.db2.gz UOWPNYMOCJAWRG-MRVPVSSYSA-N 1 2 207.277 1.272 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)C[C@H]2C)[nH+]1 ZINC001232460720 978101102 /nfs/dbraw/zinc/10/11/02/978101102.db2.gz UOWPNYMOCJAWRG-MRVPVSSYSA-N 1 2 207.277 1.272 20 0 BDADLO CCOC(=O)c1ccc(C[NH+]2CC(O)C2)cc1 ZINC000261114998 978143731 /nfs/dbraw/zinc/14/37/31/978143731.db2.gz HXSUMDYDTZWRPT-UHFFFAOYSA-N 1 2 235.283 1.040 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cc(F)ccn1)C2 ZINC001232495252 978148729 /nfs/dbraw/zinc/14/87/29/978148729.db2.gz UCRLAGRSYSVARC-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO CC(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001595989054 978161168 /nfs/dbraw/zinc/16/11/68/978161168.db2.gz KJMUIZOVRYEIDQ-JTQLQIEISA-N 1 2 207.277 1.710 20 0 BDADLO Cn1ncc(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176750878 978168925 /nfs/dbraw/zinc/16/89/25/978168925.db2.gz YQPYCZGMZIQLOQ-UHFFFAOYSA-N 1 2 244.302 1.554 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](O)C(C)(C)C2)[nH+]1 ZINC001337144890 978181967 /nfs/dbraw/zinc/18/19/67/978181967.db2.gz DOKPSIYUJLCJHP-SNVBAGLBSA-N 1 2 224.279 1.736 20 0 BDADLO CCOc1ccnc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001232585654 978192731 /nfs/dbraw/zinc/19/27/31/978192731.db2.gz FFCKSOZQVGQDKS-CQSZACIVSA-N 1 2 248.326 1.845 20 0 BDADLO CCOc1ccnc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001232585654 978192740 /nfs/dbraw/zinc/19/27/40/978192740.db2.gz FFCKSOZQVGQDKS-CQSZACIVSA-N 1 2 248.326 1.845 20 0 BDADLO Cc1cc(F)ncc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176827029 978192902 /nfs/dbraw/zinc/19/29/02/978192902.db2.gz CSVKOCGSLMCFJH-UHFFFAOYSA-N 1 2 234.234 1.433 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cc(C)ccn1 ZINC000328207866 978207348 /nfs/dbraw/zinc/20/73/48/978207348.db2.gz VNXWWIOBJUMBFZ-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccno1 ZINC001176883452 978225552 /nfs/dbraw/zinc/22/55/52/978225552.db2.gz GPPQMSLUPIUNCO-SECBINFHSA-N 1 2 234.259 1.139 20 0 BDADLO CNc1ccccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001232673003 978229742 /nfs/dbraw/zinc/22/97/42/978229742.db2.gz PIXRNRMHYMGZQN-LLVKDONJSA-N 1 2 247.342 1.391 20 0 BDADLO CNc1ccccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001232673003 978229759 /nfs/dbraw/zinc/22/97/59/978229759.db2.gz PIXRNRMHYMGZQN-LLVKDONJSA-N 1 2 247.342 1.391 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccccc1NC ZINC001232675201 978239672 /nfs/dbraw/zinc/23/96/72/978239672.db2.gz LFVGAXOTSILAES-UHFFFAOYSA-N 1 2 236.315 1.723 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccccc1NC ZINC001232675201 978239681 /nfs/dbraw/zinc/23/96/81/978239681.db2.gz LFVGAXOTSILAES-UHFFFAOYSA-N 1 2 236.315 1.723 20 0 BDADLO CCOC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001176995354 978265700 /nfs/dbraw/zinc/26/57/00/978265700.db2.gz KMPNXSIZSPWTGM-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CCOC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001176995354 978265710 /nfs/dbraw/zinc/26/57/10/978265710.db2.gz KMPNXSIZSPWTGM-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO Cn1cncc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001177015826 978274066 /nfs/dbraw/zinc/27/40/66/978274066.db2.gz PTYHFXCCVXTUMC-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cncc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001177015826 978274074 /nfs/dbraw/zinc/27/40/74/978274074.db2.gz PTYHFXCCVXTUMC-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO COc1ccc[nH+]c1NCC(C)(C)[C@H](C)O ZINC001337306643 978275470 /nfs/dbraw/zinc/27/54/70/978275470.db2.gz GNDPAHZHQDNHOE-VIFPVBQESA-N 1 2 224.304 1.909 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1nnc2n1CCC2 ZINC001177191416 978303354 /nfs/dbraw/zinc/30/33/54/978303354.db2.gz VQUOQGHPJOTREQ-UHFFFAOYSA-N 1 2 243.314 1.218 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ncoc2C)c[nH+]1 ZINC001597251433 978304079 /nfs/dbraw/zinc/30/40/79/978304079.db2.gz WDISRLFGHJBQCB-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ncoc2C)[nH+]1 ZINC001597251433 978304086 /nfs/dbraw/zinc/30/40/86/978304086.db2.gz WDISRLFGHJBQCB-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CC(C)c1oncc1NC(=O)Cc1c[nH+]cn1C ZINC001337358939 978307611 /nfs/dbraw/zinc/30/76/11/978307611.db2.gz WKZBWUZXMJZVLQ-UHFFFAOYSA-N 1 2 248.286 1.713 20 0 BDADLO Oc1ccc2[nH]cc(C[N@@H+]3CCO[C@H]4C[C@H]43)c2c1 ZINC001232868433 978315049 /nfs/dbraw/zinc/31/50/49/978315049.db2.gz LOFSRZVLNJRGOI-KGLIPLIRSA-N 1 2 244.294 1.847 20 0 BDADLO Oc1ccc2[nH]cc(C[N@H+]3CCO[C@H]4C[C@H]43)c2c1 ZINC001232868433 978315060 /nfs/dbraw/zinc/31/50/60/978315060.db2.gz LOFSRZVLNJRGOI-KGLIPLIRSA-N 1 2 244.294 1.847 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCSC1 ZINC001337389354 978316259 /nfs/dbraw/zinc/31/62/59/978316259.db2.gz LTCFXHRPYOFYOP-UHFFFAOYSA-N 1 2 225.317 1.265 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@H+](C)CC ZINC001232913817 978332823 /nfs/dbraw/zinc/33/28/23/978332823.db2.gz VTJBTIAACGXCFP-UHFFFAOYSA-N 1 2 211.265 1.038 20 0 BDADLO CCOC(=O)c1nc[nH]c1C[N@@H+](C)CC ZINC001232913817 978332829 /nfs/dbraw/zinc/33/28/29/978332829.db2.gz VTJBTIAACGXCFP-UHFFFAOYSA-N 1 2 211.265 1.038 20 0 BDADLO C[NH+]1CCN(Cc2ccc(F)c(O)c2F)CC1 ZINC001232933995 978338470 /nfs/dbraw/zinc/33/84/70/978338470.db2.gz UODUUTVBQVLALD-UHFFFAOYSA-N 1 2 242.269 1.418 20 0 BDADLO CCC[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001337484521 978364957 /nfs/dbraw/zinc/36/49/57/978364957.db2.gz ZZYXAOZBOWMPOQ-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001337484521 978364970 /nfs/dbraw/zinc/36/49/70/978364970.db2.gz ZZYXAOZBOWMPOQ-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CO[C@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597806751 978370266 /nfs/dbraw/zinc/37/02/66/978370266.db2.gz PQTJFKGDKUWDDX-MRVPVSSYSA-N 1 2 225.292 1.184 20 0 BDADLO CO[C@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597806751 978370274 /nfs/dbraw/zinc/37/02/74/978370274.db2.gz PQTJFKGDKUWDDX-MRVPVSSYSA-N 1 2 225.292 1.184 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2CCC=CO2)[nH+]1 ZINC001597811335 978377035 /nfs/dbraw/zinc/37/70/35/978377035.db2.gz BUWODGDAZSSVQI-NSHDSACASA-N 1 2 249.314 1.842 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2CCC=CO2)c[nH+]1 ZINC001597811335 978377044 /nfs/dbraw/zinc/37/70/44/978377044.db2.gz BUWODGDAZSSVQI-NSHDSACASA-N 1 2 249.314 1.842 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC001232986334 978384001 /nfs/dbraw/zinc/38/40/01/978384001.db2.gz IYRXGRRZUHLRRB-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1ncc(F)cc1C[N@H+](C)Cc1cnn(C)c1 ZINC001232986334 978384012 /nfs/dbraw/zinc/38/40/12/978384012.db2.gz IYRXGRRZUHLRRB-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(C)c(C[NH+]2CC(N3CC(F)C3)C2)cn1 ZINC001233007864 978398263 /nfs/dbraw/zinc/39/82/63/978398263.db2.gz HXFDEOKGTORXQP-UHFFFAOYSA-N 1 2 249.333 1.536 20 0 BDADLO CC(C)[N@H+](C)Cc1nc2ccccn2n1 ZINC001233069040 978452426 /nfs/dbraw/zinc/45/24/26/978452426.db2.gz PLPVHEFEMVOXHI-UHFFFAOYSA-N 1 2 204.277 1.570 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc2ccccn2n1 ZINC001233069040 978452432 /nfs/dbraw/zinc/45/24/32/978452432.db2.gz PLPVHEFEMVOXHI-UHFFFAOYSA-N 1 2 204.277 1.570 20 0 BDADLO Oc1cccc(CN2CCn3c[nH+]cc3C2)c1F ZINC001233056173 978455622 /nfs/dbraw/zinc/45/56/22/978455622.db2.gz DFDCWHDCFFCXAG-UHFFFAOYSA-N 1 2 247.273 1.744 20 0 BDADLO Cc1c[nH]nc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921666 978474218 /nfs/dbraw/zinc/47/42/18/978474218.db2.gz JCNQBHGRTYNDBS-MRVPVSSYSA-N 1 2 219.248 1.114 20 0 BDADLO CCc1ccc(N2CCCN(C(C)=O)CC2)[nH+]c1 ZINC001337766158 978487704 /nfs/dbraw/zinc/48/77/04/978487704.db2.gz ZACHKNZBWNHTQT-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO CCc1ccc(N2CCC[C@H](C(=O)NC)C2)[nH+]c1 ZINC001337772036 978489494 /nfs/dbraw/zinc/48/94/94/978489494.db2.gz MKYLGOZQAVTKAA-LBPRGKRZSA-N 1 2 247.342 1.606 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cncc(O)c1 ZINC001177993726 978493028 /nfs/dbraw/zinc/49/30/28/978493028.db2.gz PVXFPVHFCMNVCM-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@@H+]2CCn3cncc3C2)c1 ZINC001233195512 978494481 /nfs/dbraw/zinc/49/44/81/978494481.db2.gz MKMQUFWNLDIGPF-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@H+]2CCn3cncc3C2)c1 ZINC001233195512 978494491 /nfs/dbraw/zinc/49/44/91/978494491.db2.gz MKMQUFWNLDIGPF-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cnn2ccccc12 ZINC001233238761 978509579 /nfs/dbraw/zinc/50/95/79/978509579.db2.gz OWJMQTGSSWYELE-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cnn2ccccc12 ZINC001233238761 978509586 /nfs/dbraw/zinc/50/95/86/978509586.db2.gz OWJMQTGSSWYELE-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO Nc1cc(N2CC[C@@H](C3CCOCC3)C2)[nH+]cn1 ZINC001337818219 978512378 /nfs/dbraw/zinc/51/23/78/978512378.db2.gz GCADDGNFNWLQBM-LLVKDONJSA-N 1 2 248.330 1.312 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2c[nH]nc2C)[nH]1 ZINC001178382169 978553536 /nfs/dbraw/zinc/55/35/36/978553536.db2.gz BWVZGAXUSZXLQK-MRVPVSSYSA-N 1 2 234.307 1.249 20 0 BDADLO O=C1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC001233363032 978575808 /nfs/dbraw/zinc/57/58/08/978575808.db2.gz BNJLKKBMIDAXOL-UHFFFAOYSA-N 1 2 215.256 1.109 20 0 BDADLO Nc1cccc(CN2Cc3ncsc3C2)[nH+]1 ZINC001233372181 978586489 /nfs/dbraw/zinc/58/64/89/978586489.db2.gz CAFVCGJYIQGKQI-UHFFFAOYSA-N 1 2 232.312 1.636 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233449495 978605194 /nfs/dbraw/zinc/60/51/94/978605194.db2.gz GUBYZOQISDMUKI-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cncc(Cl)n1 ZINC001233449495 978605198 /nfs/dbraw/zinc/60/51/98/978605198.db2.gz GUBYZOQISDMUKI-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)/C=C/C1CC1 ZINC001233491872 978613421 /nfs/dbraw/zinc/61/34/21/978613421.db2.gz ZTYQZVOLLVOODG-ITKZLYELSA-N 1 2 240.322 1.455 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)/C=C/C1CC1 ZINC001233491872 978613426 /nfs/dbraw/zinc/61/34/26/978613426.db2.gz ZTYQZVOLLVOODG-ITKZLYELSA-N 1 2 240.322 1.455 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccns1 ZINC001338108608 978615927 /nfs/dbraw/zinc/61/59/27/978615927.db2.gz BEXWTNSKOGZRJX-UHFFFAOYSA-N 1 2 236.300 1.759 20 0 BDADLO Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cn1 ZINC001178717294 978621630 /nfs/dbraw/zinc/62/16/30/978621630.db2.gz PZJLKTULNSUFFK-BXKDBHETSA-N 1 2 243.314 1.777 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(CO)o1 ZINC001178713142 978622870 /nfs/dbraw/zinc/62/28/70/978622870.db2.gz JROXHUIHWROTPS-SNVBAGLBSA-N 1 2 249.314 1.839 20 0 BDADLO C[S@@](=O)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC001338274395 978649634 /nfs/dbraw/zinc/64/96/34/978649634.db2.gz OYXXMMZJIXVPGY-QGZVFWFLSA-N 1 2 249.339 1.437 20 0 BDADLO OCc1cc[nH+]c(NCc2ccns2)c1 ZINC001178991997 978658500 /nfs/dbraw/zinc/65/85/00/978658500.db2.gz IOODOMHJFSHKMV-UHFFFAOYSA-N 1 2 221.285 1.643 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc[nH+]1 ZINC001338303251 978658676 /nfs/dbraw/zinc/65/86/76/978658676.db2.gz YZTZMBDTNGDOCS-DJLDLDEBSA-N 1 2 220.276 1.250 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)[nH+]cn1 ZINC001338303251 978658679 /nfs/dbraw/zinc/65/86/79/978658679.db2.gz YZTZMBDTNGDOCS-DJLDLDEBSA-N 1 2 220.276 1.250 20 0 BDADLO Cc1cc2c(cc1F)ncnc2OC1C[NH+](C)C1 ZINC001233848700 978710584 /nfs/dbraw/zinc/71/05/84/978710584.db2.gz RNKPXLQANLGJLG-UHFFFAOYSA-N 1 2 247.273 1.770 20 0 BDADLO Cc1[nH]c(C[NH2+][C@@](C)(C(=O)[O-])C2CC2)c(C)[nH+]1 ZINC001600691635 978719198 /nfs/dbraw/zinc/71/91/98/978719198.db2.gz PMKZMMYHPCJDPR-GFCCVEGCSA-N 1 2 237.303 1.369 20 0 BDADLO Cc1oc(C[NH2+][C@H](C[NH3+])C2CC2)cc1C(=O)[O-] ZINC001600852488 978740503 /nfs/dbraw/zinc/74/05/03/978740503.db2.gz WSIQRSIYNADZMB-LLVKDONJSA-N 1 2 238.287 1.113 20 0 BDADLO Cc1cc(CN(C)C(=O)CCc2c[nH]c[nH+]2)no1 ZINC001338898839 978750684 /nfs/dbraw/zinc/75/06/84/978750684.db2.gz GRQGLDLMMDDDGZ-UHFFFAOYSA-N 1 2 248.286 1.297 20 0 BDADLO Cc1cc(CN(C)C(=O)CCc2c[nH+]c[nH]2)no1 ZINC001338898839 978750690 /nfs/dbraw/zinc/75/06/90/978750690.db2.gz GRQGLDLMMDDDGZ-UHFFFAOYSA-N 1 2 248.286 1.297 20 0 BDADLO CC[NH+]1CC(Oc2cc3n[nH]cc3cc2C)C1 ZINC001234031950 978758074 /nfs/dbraw/zinc/75/80/74/978758074.db2.gz AMWCVOHYXHAANI-UHFFFAOYSA-N 1 2 231.299 1.954 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2nnc(CO)[nH]2)C[C@H]1C ZINC001179842070 978764075 /nfs/dbraw/zinc/76/40/75/978764075.db2.gz AVZKBONRKVGOSB-OPRDCNLKSA-N 1 2 238.335 1.211 20 0 BDADLO [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178225 978786184 /nfs/dbraw/zinc/78/61/84/978786184.db2.gz KTVGDQOLWUYNGE-GWCFXTLKSA-N 1 2 249.314 1.026 20 0 BDADLO [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001601178225 978786188 /nfs/dbraw/zinc/78/61/88/978786188.db2.gz KTVGDQOLWUYNGE-GWCFXTLKSA-N 1 2 249.314 1.026 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCO[C@@H]1C ZINC001339103954 978794113 /nfs/dbraw/zinc/79/41/13/978794113.db2.gz WBBAUQSQHBVHPM-MNOVXSKESA-N 1 2 234.299 1.484 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCO[C@@H]1C ZINC001339103953 978794171 /nfs/dbraw/zinc/79/41/71/978794171.db2.gz WBBAUQSQHBVHPM-GHMZBOCLSA-N 1 2 234.299 1.484 20 0 BDADLO Cc1ccc(CC(=O)NC2C[NH+](C)C2)cc1F ZINC001179939488 978794976 /nfs/dbraw/zinc/79/49/76/978794976.db2.gz HDMGYXBFUGCANO-UHFFFAOYSA-N 1 2 236.290 1.107 20 0 BDADLO O=C([O-])C[N@H+](Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC001339152464 978805236 /nfs/dbraw/zinc/80/52/36/978805236.db2.gz RRNJEWUIKHJWOD-UHFFFAOYSA-N 1 2 249.314 1.268 20 0 BDADLO O=C([O-])C[N@@H+](Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC001339152464 978805239 /nfs/dbraw/zinc/80/52/39/978805239.db2.gz RRNJEWUIKHJWOD-UHFFFAOYSA-N 1 2 249.314 1.268 20 0 BDADLO Cc1nccnc1NC(=O)CCCn1cc[nH+]c1 ZINC001339293079 978830838 /nfs/dbraw/zinc/83/08/38/978830838.db2.gz PEIQOBZMBGJLFJ-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO O=C([O-])[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001601794344 978850484 /nfs/dbraw/zinc/85/04/84/978850484.db2.gz KFGXXVCREFWDJG-GHMZBOCLSA-N 1 2 237.303 1.116 20 0 BDADLO CCc1ccc(N2CCC(NC(N)=O)CC2)[nH+]c1 ZINC001339608377 978877478 /nfs/dbraw/zinc/87/74/78/978877478.db2.gz CJCBQDXRBKMMOS-UHFFFAOYSA-N 1 2 248.330 1.281 20 0 BDADLO Cc1cc(F)cc(N(C)C[C@H](O)C2CC2)[nH+]1 ZINC001339610053 978877891 /nfs/dbraw/zinc/87/78/91/978877891.db2.gz KYNYWKCLLQGVOS-NSHDSACASA-N 1 2 224.279 1.736 20 0 BDADLO Cn1c[nH+]cc1C1CCN(C(=O)NC2CC2)CC1 ZINC001339708466 978897081 /nfs/dbraw/zinc/89/70/81/978897081.db2.gz GWQVQOBCDFOZLG-UHFFFAOYSA-N 1 2 248.330 1.472 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CC(F)(F)CC[C@H]1C ZINC001180692554 978929508 /nfs/dbraw/zinc/92/95/08/978929508.db2.gz ISWPQKRIIGBVIS-NXEZZACHSA-N 1 2 246.301 1.727 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CC(F)(F)CC[C@H]1C ZINC001180692554 978929513 /nfs/dbraw/zinc/92/95/13/978929513.db2.gz ISWPQKRIIGBVIS-NXEZZACHSA-N 1 2 246.301 1.727 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001234999157 978946104 /nfs/dbraw/zinc/94/61/04/978946104.db2.gz JBKXYANCDGNBTG-GFCCVEGCSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001234999157 978946108 /nfs/dbraw/zinc/94/61/08/978946108.db2.gz JBKXYANCDGNBTG-GFCCVEGCSA-N 1 2 239.294 1.353 20 0 BDADLO Fc1cnc(C[N@@H+]2CCCC23CC3)nc1 ZINC001234999991 978947268 /nfs/dbraw/zinc/94/72/68/978947268.db2.gz NYIRLBRYJIBQPL-UHFFFAOYSA-N 1 2 207.252 1.744 20 0 BDADLO Fc1cnc(C[N@H+]2CCCC23CC3)nc1 ZINC001234999991 978947275 /nfs/dbraw/zinc/94/72/75/978947275.db2.gz NYIRLBRYJIBQPL-UHFFFAOYSA-N 1 2 207.252 1.744 20 0 BDADLO COC1(C)CC[NH+](Cc2ncc(F)cn2)CC1 ZINC001235001574 978948280 /nfs/dbraw/zinc/94/82/80/978948280.db2.gz VXKMDGXTEQGERT-UHFFFAOYSA-N 1 2 239.294 1.617 20 0 BDADLO Cc1c([C@H](C)[NH2+][C@H](C)c2cnn(C)n2)cnn1C ZINC001339979371 978950221 /nfs/dbraw/zinc/95/02/21/978950221.db2.gz JSWSGYKMUACMAH-DTWKUNHWSA-N 1 2 248.334 1.269 20 0 BDADLO FC[C@@H]1CCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235011683 978953063 /nfs/dbraw/zinc/95/30/63/978953063.db2.gz RWQRIRLXHNVMFQ-VIFPVBQESA-N 1 2 227.258 1.797 20 0 BDADLO FC[C@@H]1CCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235011683 978953065 /nfs/dbraw/zinc/95/30/65/978953065.db2.gz RWQRIRLXHNVMFQ-VIFPVBQESA-N 1 2 227.258 1.797 20 0 BDADLO COC(=O)CN(Cc1c[nH+]cn1C)CC(C)C ZINC001340274249 979001835 /nfs/dbraw/zinc/00/18/35/979001835.db2.gz QEHMPHODHQSRAL-UHFFFAOYSA-N 1 2 239.319 1.051 20 0 BDADLO COc1cc(C[NH+]2CC=CC2)c(F)cn1 ZINC001235322035 979022893 /nfs/dbraw/zinc/02/28/93/979022893.db2.gz YYCNUBDHOCNNAA-UHFFFAOYSA-N 1 2 208.236 1.601 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001235331462 979024154 /nfs/dbraw/zinc/02/41/54/979024154.db2.gz GEVHFUBHKKSCBT-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001235331462 979024161 /nfs/dbraw/zinc/02/41/61/979024161.db2.gz GEVHFUBHKKSCBT-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CC(F)(F)C1 ZINC001235540815 979085672 /nfs/dbraw/zinc/08/56/72/979085672.db2.gz PKDJWEJBJZLFAX-UHFFFAOYSA-N 1 2 201.220 1.179 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001235541257 979086943 /nfs/dbraw/zinc/08/69/43/979086943.db2.gz SLVYCLIFRXCKCP-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001235541257 979086951 /nfs/dbraw/zinc/08/69/51/979086951.db2.gz SLVYCLIFRXCKCP-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001235540144 979088578 /nfs/dbraw/zinc/08/85/78/979088578.db2.gz HNNKKEWJQMFCRI-AOOOYVTPSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001235540144 979088567 /nfs/dbraw/zinc/08/85/67/979088567.db2.gz HNNKKEWJQMFCRI-AOOOYVTPSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(N)cc(NC(=O)C[C@H]([NH3+])C(F)F)c1 ZINC001340892988 979144011 /nfs/dbraw/zinc/14/40/11/979144011.db2.gz BREWRDDLEQJOFV-VIFPVBQESA-N 1 2 243.257 1.498 20 0 BDADLO Cc1coc(C(=O)N2CC(n3cc[nH+]c3)C2)c1C ZINC001340980941 979183614 /nfs/dbraw/zinc/18/36/14/979183614.db2.gz LXFWRDSVURBROO-UHFFFAOYSA-N 1 2 245.282 1.790 20 0 BDADLO CCN(C(=O)[C@@H]1CC1(CC)CC)C1C[NH+](C)C1 ZINC001181881627 979350539 /nfs/dbraw/zinc/35/05/39/979350539.db2.gz DXBUKASDBICWHZ-LBPRGKRZSA-N 1 2 238.375 1.975 20 0 BDADLO CCC1(CC)C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001181887890 979360435 /nfs/dbraw/zinc/36/04/35/979360435.db2.gz JHCUZQNXEKDHGC-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1C[C@@H](c2nnc(C[NH+](C)C)o2)CO1 ZINC001341744460 979543182 /nfs/dbraw/zinc/54/31/82/979543182.db2.gz UFWBIYXIEVPWSE-HTQZYQBOSA-N 1 2 211.265 1.024 20 0 BDADLO Cc1c(NC(=O)[C@@H]2CC[N@H+]2C(C)C)ncn1C ZINC001182828563 979654198 /nfs/dbraw/zinc/65/41/98/979654198.db2.gz GVBMQUYIJBIHSO-JTQLQIEISA-N 1 2 236.319 1.150 20 0 BDADLO Cc1c(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)ncn1C ZINC001182828563 979654204 /nfs/dbraw/zinc/65/42/04/979654204.db2.gz GVBMQUYIJBIHSO-JTQLQIEISA-N 1 2 236.319 1.150 20 0 BDADLO O=C(CC(F)F)Nc1cccc2[nH+]ccn21 ZINC001182961873 979676058 /nfs/dbraw/zinc/67/60/58/979676058.db2.gz PPQZAJQRHUJXTN-UHFFFAOYSA-N 1 2 225.198 1.928 20 0 BDADLO CCOc1cncc(C[N@H+](C)C2(C)COC2)c1 ZINC001236840984 979754691 /nfs/dbraw/zinc/75/46/91/979754691.db2.gz REABVUJOOBRSSN-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1cnc(NC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001342499824 979815928 /nfs/dbraw/zinc/81/59/28/979815928.db2.gz IZIQKMQOUYWEMH-UHFFFAOYSA-N 1 2 220.232 1.196 20 0 BDADLO C[N@H+](CCF)Cc1ccccc1OCCO ZINC001237202366 979845517 /nfs/dbraw/zinc/84/55/17/979845517.db2.gz GFRWDGREPAQPDW-UHFFFAOYSA-N 1 2 227.279 1.459 20 0 BDADLO C[N@@H+](CCF)Cc1ccccc1OCCO ZINC001237202366 979845522 /nfs/dbraw/zinc/84/55/22/979845522.db2.gz GFRWDGREPAQPDW-UHFFFAOYSA-N 1 2 227.279 1.459 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CSC[C@H]1C)n1cc[nH+]c1 ZINC001342699904 979871745 /nfs/dbraw/zinc/87/17/45/979871745.db2.gz LIEJWGXVWDVLBD-KXUCPTDWSA-N 1 2 239.344 1.312 20 0 BDADLO c1c(C[N@@H+]2CC[C@@]23CCOC3)nn2ccccc12 ZINC001237451645 979899502 /nfs/dbraw/zinc/89/95/02/979899502.db2.gz LVQSLHWVNGZKIL-AWEZNQCLSA-N 1 2 243.310 1.699 20 0 BDADLO c1c(C[N@H+]2CC[C@@]23CCOC3)nn2ccccc12 ZINC001237451645 979899507 /nfs/dbraw/zinc/89/95/07/979899507.db2.gz LVQSLHWVNGZKIL-AWEZNQCLSA-N 1 2 243.310 1.699 20 0 BDADLO Nc1ccc(CCC(=O)N[C@H]2CC23CCC3)c[nH+]1 ZINC001183940313 979905936 /nfs/dbraw/zinc/90/59/36/979905936.db2.gz XZESIVOKQSEXAW-NSHDSACASA-N 1 2 245.326 1.655 20 0 BDADLO CNC(=O)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001342848623 979917059 /nfs/dbraw/zinc/91/70/59/979917059.db2.gz VQYZALNBECBVPM-UHFFFAOYSA-N 1 2 248.330 1.601 20 0 BDADLO CC[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC001342912836 979934122 /nfs/dbraw/zinc/93/41/22/979934122.db2.gz CRHSZWAZEGQBNT-SNVBAGLBSA-N 1 2 216.288 1.966 20 0 BDADLO c1cc2cc(C[N@@H+]3CCOC4(CC4)C3)ccn2n1 ZINC001237547806 979937737 /nfs/dbraw/zinc/93/77/37/979937737.db2.gz ZICLQUFKVIJUPG-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cc2cc(C[N@H+]3CCOC4(CC4)C3)ccn2n1 ZINC001237547806 979937746 /nfs/dbraw/zinc/93/77/46/979937746.db2.gz ZICLQUFKVIJUPG-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](F)[C@H](F)C1 ZINC001237587824 979943053 /nfs/dbraw/zinc/94/30/53/979943053.db2.gz IWHLFZZTLPENLX-NXEZZACHSA-N 1 2 215.247 1.395 20 0 BDADLO c1nnc(C[N@H+](C2CCC2)C2CCOCC2)[nH]1 ZINC001237602505 979962727 /nfs/dbraw/zinc/96/27/27/979962727.db2.gz BYFQFEJRRQCMKX-UHFFFAOYSA-N 1 2 236.319 1.338 20 0 BDADLO c1nnc(C[N@@H+](C2CCC2)C2CCOCC2)[nH]1 ZINC001237602505 979962736 /nfs/dbraw/zinc/96/27/36/979962736.db2.gz BYFQFEJRRQCMKX-UHFFFAOYSA-N 1 2 236.319 1.338 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccco2)C1 ZINC001203271065 979964499 /nfs/dbraw/zinc/96/44/99/979964499.db2.gz UHBGZFNRYKJBAA-NXEZZACHSA-N 1 2 213.252 1.432 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccco2)C1 ZINC001203271065 979964506 /nfs/dbraw/zinc/96/45/06/979964506.db2.gz UHBGZFNRYKJBAA-NXEZZACHSA-N 1 2 213.252 1.432 20 0 BDADLO Cc1cn(C)nc1C[NH+]1CC(Cc2ccoc2)C1 ZINC001184198347 979968867 /nfs/dbraw/zinc/96/88/67/979968867.db2.gz WPJHQOGRSURDJQ-UHFFFAOYSA-N 1 2 245.326 1.996 20 0 BDADLO CC(=O)NC1CC[NH+](Cc2nc(C)co2)CC1 ZINC001237635587 979981601 /nfs/dbraw/zinc/98/16/01/979981601.db2.gz PTCVUVMBJSDPQV-UHFFFAOYSA-N 1 2 237.303 1.084 20 0 BDADLO CCc1[nH]ncc1CN(C)[C@H]1CC[N@H+](C)C1 ZINC001237651803 979995005 /nfs/dbraw/zinc/99/50/05/979995005.db2.gz YIIOJSGMVQRJTQ-NSHDSACASA-N 1 2 222.336 1.108 20 0 BDADLO CCc1[nH]ncc1CN(C)[C@H]1CC[N@@H+](C)C1 ZINC001237651803 979995010 /nfs/dbraw/zinc/99/50/10/979995010.db2.gz YIIOJSGMVQRJTQ-NSHDSACASA-N 1 2 222.336 1.108 20 0 BDADLO CC[C@@H](C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184317210 980006810 /nfs/dbraw/zinc/00/68/10/980006810.db2.gz SHARLTLATLAEKL-SECBINFHSA-N 1 2 245.282 1.888 20 0 BDADLO CCc1n[nH]cc1C[N@H+](C)Cc1cnc(C)nc1 ZINC001237653344 980010566 /nfs/dbraw/zinc/01/05/66/980010566.db2.gz KFEHFCWMECOYSH-UHFFFAOYSA-N 1 2 245.330 1.703 20 0 BDADLO CCc1n[nH]cc1C[N@@H+](C)Cc1cnc(C)nc1 ZINC001237653344 980010578 /nfs/dbraw/zinc/01/05/78/980010578.db2.gz KFEHFCWMECOYSH-UHFFFAOYSA-N 1 2 245.330 1.703 20 0 BDADLO CCc1[nH]ncc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001237655300 980022736 /nfs/dbraw/zinc/02/27/36/980022736.db2.gz SPTLVZCDDHIBLY-CYBMUJFWSA-N 1 2 248.374 1.642 20 0 BDADLO CCc1[nH]ncc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001237655300 980022745 /nfs/dbraw/zinc/02/27/45/980022745.db2.gz SPTLVZCDDHIBLY-CYBMUJFWSA-N 1 2 248.374 1.642 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC001237707784 980029712 /nfs/dbraw/zinc/02/97/12/980029712.db2.gz KIVYJNQWIAMCAS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC001237707784 980029718 /nfs/dbraw/zinc/02/97/18/980029718.db2.gz KIVYJNQWIAMCAS-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001237710954 980032875 /nfs/dbraw/zinc/03/28/75/980032875.db2.gz NOCBYYRJAVQJFI-OKILXGFUSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001237710954 980032882 /nfs/dbraw/zinc/03/28/82/980032882.db2.gz NOCBYYRJAVQJFI-OKILXGFUSA-N 1 2 233.311 1.977 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1ncc(C)cn1 ZINC001237807397 980052806 /nfs/dbraw/zinc/05/28/06/980052806.db2.gz FIFWVAAJIFTZCT-UHFFFAOYSA-N 1 2 245.330 1.504 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1ncc(C)cn1 ZINC001237807397 980052819 /nfs/dbraw/zinc/05/28/19/980052819.db2.gz FIFWVAAJIFTZCT-UHFFFAOYSA-N 1 2 245.330 1.504 20 0 BDADLO CC[C@H](F)C(=O)OCCc1c[nH+]cn1C ZINC001343324351 980069280 /nfs/dbraw/zinc/06/92/80/980069280.db2.gz MOVOFITYWOAFBF-VIFPVBQESA-N 1 2 214.240 1.254 20 0 BDADLO CCc1ncc(C[N@@H+](CC)C2CN(C)C2)s1 ZINC001237831597 980072838 /nfs/dbraw/zinc/07/28/38/980072838.db2.gz ZKGQLROWHLJZIL-UHFFFAOYSA-N 1 2 239.388 1.841 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NC2C[NH+](C)C2)C1 ZINC001184513355 980103289 /nfs/dbraw/zinc/10/32/89/980103289.db2.gz UOLLNWPGVQMHCN-ZJUUUORDSA-N 1 2 210.321 1.243 20 0 BDADLO COc1ccoc1C[NH+]1CC2(CSC2)C1 ZINC001237871232 980104657 /nfs/dbraw/zinc/10/46/57/980104657.db2.gz WDPOSARKUXLVMM-UHFFFAOYSA-N 1 2 225.313 1.837 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cnc(F)cc1Cl ZINC001238018046 980123236 /nfs/dbraw/zinc/12/32/36/980123236.db2.gz OUPLUNQFNVHLKO-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cnc(F)cc1Cl ZINC001238018046 980123240 /nfs/dbraw/zinc/12/32/40/980123240.db2.gz OUPLUNQFNVHLKO-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cc(O)ccc2C)CC1 ZINC001238091650 980142702 /nfs/dbraw/zinc/14/27/02/980142702.db2.gz DQVFYYSDABAMFE-UHFFFAOYSA-N 1 2 248.326 1.365 20 0 BDADLO Cc1oc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1C(=O)[O-] ZINC001608051265 980156097 /nfs/dbraw/zinc/15/60/97/980156097.db2.gz PPNZAXLVHUJNSU-LLVKDONJSA-N 1 2 238.287 1.113 20 0 BDADLO C[N@@H+]1CCO[C@H](CNC(=O)CC2(C)CCC2)C1 ZINC001185103207 980166593 /nfs/dbraw/zinc/16/65/93/980166593.db2.gz IIDWKYKBRGCATP-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+](CCOC)Cc1c(N)ccnc1F ZINC001238154643 980182802 /nfs/dbraw/zinc/18/28/02/980182802.db2.gz WRYQMSBUKFIIDU-UHFFFAOYSA-N 1 2 227.283 1.271 20 0 BDADLO CC[N@@H+](CCOC)Cc1c(N)ccnc1F ZINC001238154643 980182808 /nfs/dbraw/zinc/18/28/08/980182808.db2.gz WRYQMSBUKFIIDU-UHFFFAOYSA-N 1 2 227.283 1.271 20 0 BDADLO [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCCC(=O)[O-] ZINC001608255747 980196158 /nfs/dbraw/zinc/19/61/58/980196158.db2.gz ICQCIEMIAJAVFT-CYBMUJFWSA-N 1 2 248.326 1.409 20 0 BDADLO [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCCC(=O)[O-] ZINC001608255747 980196167 /nfs/dbraw/zinc/19/61/67/980196167.db2.gz ICQCIEMIAJAVFT-CYBMUJFWSA-N 1 2 248.326 1.409 20 0 BDADLO CN(C)c1ccc(C[C@H]2COC(C)(C)O2)c[nH+]1 ZINC001250183487 980196514 /nfs/dbraw/zinc/19/65/14/980196514.db2.gz PZYQGPFECCGSGK-NSHDSACASA-N 1 2 236.315 1.842 20 0 BDADLO Cc1ncncc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001238166269 980197886 /nfs/dbraw/zinc/19/78/86/980197886.db2.gz YHGBKHJFGZZHOK-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1ncncc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001238166269 980197891 /nfs/dbraw/zinc/19/78/91/980197891.db2.gz YHGBKHJFGZZHOK-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(C)c1 ZINC001238426498 980252614 /nfs/dbraw/zinc/25/26/14/980252614.db2.gz MSSZKKUGTJQCIT-DGCLKSJQSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(C)c1 ZINC001238426498 980252619 /nfs/dbraw/zinc/25/26/19/980252619.db2.gz MSSZKKUGTJQCIT-DGCLKSJQSA-N 1 2 238.306 1.603 20 0 BDADLO Nc1[nH+]cccc1CNc1ncc(F)cn1 ZINC001186480100 980375948 /nfs/dbraw/zinc/37/59/48/980375948.db2.gz YBLLZXZTFHBWDU-UHFFFAOYSA-N 1 2 219.223 1.205 20 0 BDADLO c1cn(-c2ccnc(-c3cnoc3)c2)c[nH+]1 ZINC001239172194 980484696 /nfs/dbraw/zinc/48/46/96/980484696.db2.gz OXTCXXMVOXEYDI-UHFFFAOYSA-N 1 2 212.212 1.922 20 0 BDADLO CCn1c[nH+]cc1COC(=O)/C=C(\C)COC ZINC001344970739 980509943 /nfs/dbraw/zinc/50/99/43/980509943.db2.gz DKVIPNZQPHYACS-BJMVGYQFSA-N 1 2 238.287 1.539 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cncs1 ZINC001344971543 980510340 /nfs/dbraw/zinc/51/03/40/980510340.db2.gz ITEBZCJJPLOIPU-UHFFFAOYSA-N 1 2 237.284 1.717 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCC=N1 ZINC001187352748 980518656 /nfs/dbraw/zinc/51/86/56/980518656.db2.gz VTXHNNAZCHCFQC-SECBINFHSA-N 1 2 228.255 1.506 20 0 BDADLO COC1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001345067256 980537964 /nfs/dbraw/zinc/53/79/64/980537964.db2.gz WOCLHNZSATWLJB-SNVBAGLBSA-N 1 2 237.303 1.129 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001188050896 980578853 /nfs/dbraw/zinc/57/88/53/980578853.db2.gz YLZBFSWGPCOUFQ-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO Cc1[nH+]cn(-c2ccc(C3=CCOC3)nn2)c1C ZINC001239479860 980623284 /nfs/dbraw/zinc/62/32/84/980623284.db2.gz AUKPKYYTGPWCHS-UHFFFAOYSA-N 1 2 242.282 1.693 20 0 BDADLO Cc1cc(C(=O)NCCOc2cc[nH+]cc2)c[nH]1 ZINC001188207579 980628175 /nfs/dbraw/zinc/62/81/75/980628175.db2.gz QMJQLWAHIFYZAD-UHFFFAOYSA-N 1 2 245.282 1.527 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCCC(C)=O ZINC001345609977 980645074 /nfs/dbraw/zinc/64/50/74/980645074.db2.gz MLTHEBJTCMCKON-UHFFFAOYSA-N 1 2 238.287 1.706 20 0 BDADLO OCc1ccc(CC[NH+]2CCOCC2)cc1F ZINC001250278079 980651546 /nfs/dbraw/zinc/65/15/46/980651546.db2.gz SWHSSCKXGIZAFR-UHFFFAOYSA-N 1 2 239.290 1.193 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)[C@H]1C[C@H]1F ZINC001345692976 980670900 /nfs/dbraw/zinc/67/09/00/980670900.db2.gz SQQOXFJEOMIFMB-DTWKUNHWSA-N 1 2 226.251 1.254 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2ccccc2)o1 ZINC001345941332 980713209 /nfs/dbraw/zinc/71/32/09/980713209.db2.gz KOWSJLUKXJVMJE-UHFFFAOYSA-N 1 2 231.299 1.916 20 0 BDADLO C[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)CC(F)F ZINC001346082872 980749866 /nfs/dbraw/zinc/74/98/66/980749866.db2.gz UFFDULCYVRNOBZ-RKDXNWHRSA-N 1 2 245.273 1.852 20 0 BDADLO O=C1COc2cc(CCn3cc[nH+]c3)ccc2N1 ZINC001250320785 980762079 /nfs/dbraw/zinc/76/20/79/980762079.db2.gz QCCZAWNHEARHNU-UHFFFAOYSA-N 1 2 243.266 1.457 20 0 BDADLO CC(C)[N@H+](CCC(=O)[O-])CCc1c[nH+]cn1C ZINC001346256273 980799134 /nfs/dbraw/zinc/79/91/34/980799134.db2.gz IHSUDRSDTHEMFC-UHFFFAOYSA-N 1 2 239.319 1.148 20 0 BDADLO CC(C)[N@@H+](CCC(=O)[O-])CCc1c[nH+]cn1C ZINC001346256273 980799140 /nfs/dbraw/zinc/79/91/40/980799140.db2.gz IHSUDRSDTHEMFC-UHFFFAOYSA-N 1 2 239.319 1.148 20 0 BDADLO Cc1nnc(Cc2ccc[nH+]c2N2CCCC2)o1 ZINC001250338432 980810378 /nfs/dbraw/zinc/81/03/78/980810378.db2.gz JQRYVXCIFGWSGY-UHFFFAOYSA-N 1 2 244.298 1.964 20 0 BDADLO CN1CCOc2cc(-c3cc[nH+]c(N)c3)cnc21 ZINC001239612551 980810956 /nfs/dbraw/zinc/81/09/56/980810956.db2.gz JQTSEYNTPKWMKQ-UHFFFAOYSA-N 1 2 242.282 1.554 20 0 BDADLO O=C([C@H]1C[C@H]1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001346389938 980825476 /nfs/dbraw/zinc/82/54/76/980825476.db2.gz PXCHGAYNFUAGGV-VHSXEESVSA-N 1 2 237.278 1.474 20 0 BDADLO O=C(N[C@@H]1C[C@H]1F)c1ccccc1-n1cc[nH+]c1 ZINC001190107251 980847218 /nfs/dbraw/zinc/84/72/18/980847218.db2.gz OYMBNFXHFMZBMA-GHMZBOCLSA-N 1 2 245.257 1.713 20 0 BDADLO CCc1cn(CC(=O)NC(C)(C)C)c[nH+]1 ZINC001190105131 980847317 /nfs/dbraw/zinc/84/73/17/980847317.db2.gz ZNDUVHNXAASIFH-UHFFFAOYSA-N 1 2 209.293 1.360 20 0 BDADLO CC[C@H](F)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001346610393 980871311 /nfs/dbraw/zinc/87/13/11/980871311.db2.gz ZOZMBEXGPWWULY-VIFPVBQESA-N 1 2 228.267 1.910 20 0 BDADLO CCCCNC(=O)N(CC)C1C[NH+](C)C1 ZINC001190607708 980896048 /nfs/dbraw/zinc/89/60/48/980896048.db2.gz JXSREDRQCCGBDZ-UHFFFAOYSA-N 1 2 213.325 1.132 20 0 BDADLO Cc1cc(Cc2ccn3cc[nH+]c3c2)n(C)n1 ZINC001250418188 980975127 /nfs/dbraw/zinc/97/51/27/980975127.db2.gz PKGIKVQMLRUQPW-UHFFFAOYSA-N 1 2 226.283 1.967 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001347126880 980981357 /nfs/dbraw/zinc/98/13/57/980981357.db2.gz UMRFKCLGJZHTEX-VHSXEESVSA-N 1 2 221.304 1.220 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2[nH]cc(C)c2C)[nH+]1 ZINC001191162402 980984184 /nfs/dbraw/zinc/98/41/84/980984184.db2.gz WKWNEPZBPCRZIZ-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCN(C(=O)c1[nH]cc(C)c1C)C1C[NH+](C)C1 ZINC001191154807 980985432 /nfs/dbraw/zinc/98/54/32/980985432.db2.gz FZEXZFRXAPMBLU-UHFFFAOYSA-N 1 2 235.331 1.408 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(C(N)=O)c1 ZINC001239883190 981017371 /nfs/dbraw/zinc/01/73/71/981017371.db2.gz PQVROURVXUPTJS-UHFFFAOYSA-N 1 2 201.229 1.186 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CCC1(C)CC1 ZINC001347346163 981052876 /nfs/dbraw/zinc/05/28/76/981052876.db2.gz RWUBNVFDTZEOLT-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)NC1CC1 ZINC001191505806 981060026 /nfs/dbraw/zinc/06/00/26/981060026.db2.gz HBNZZZVFPSGULF-UHFFFAOYSA-N 1 2 234.303 1.570 20 0 BDADLO Cc1cc(Cc2noc(Cn3cc[nH+]c3)n2)no1 ZINC001347433934 981078276 /nfs/dbraw/zinc/07/82/76/981078276.db2.gz BSLZUUAIRKREKD-UHFFFAOYSA-N 1 2 245.242 1.202 20 0 BDADLO Cn1nccc1Cc1ccc2[nH+]ccn2c1 ZINC001250434016 981078196 /nfs/dbraw/zinc/07/81/96/981078196.db2.gz BWBXPOORNYWFPF-UHFFFAOYSA-N 1 2 212.256 1.659 20 0 BDADLO Cc1cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)n[nH]1 ZINC001347438256 981079132 /nfs/dbraw/zinc/07/91/32/981079132.db2.gz QKVOCJUTELOJHE-BETUJISGSA-N 1 2 235.331 1.577 20 0 BDADLO CCN(C(=O)c1ccn(C)c1C)C1C[NH+](C)C1 ZINC001191841331 981089682 /nfs/dbraw/zinc/08/96/82/981089682.db2.gz NRNURVCWUNSIOD-UHFFFAOYSA-N 1 2 235.331 1.110 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001347478331 981091668 /nfs/dbraw/zinc/09/16/68/981091668.db2.gz VMKDRZFPUAEOQO-SDDRHHMPSA-N 1 2 247.342 1.658 20 0 BDADLO CCCC1(C(=O)NCCc2[nH+]ccn2C)CC1 ZINC001347712256 981151448 /nfs/dbraw/zinc/15/14/48/981151448.db2.gz PXYLDQXJPBFIOA-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(CO)on1 ZINC001347758333 981164129 /nfs/dbraw/zinc/16/41/29/981164129.db2.gz CFOUEYRCMKJCAA-QMMMGPOBSA-N 1 2 236.275 1.049 20 0 BDADLO Nc1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240216957 981167227 /nfs/dbraw/zinc/16/72/27/981167227.db2.gz UNMFQMIBGJMFMJ-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc(F)cn1 ZINC001250476366 981170727 /nfs/dbraw/zinc/17/07/27/981170727.db2.gz DFBFWDBVOZHEFS-UHFFFAOYSA-N 1 2 204.208 1.568 20 0 BDADLO Nc1cc(-c2ccc3nccn3c2)cc[nH+]1 ZINC001240219322 981171112 /nfs/dbraw/zinc/17/11/12/981171112.db2.gz GHKCHMYHFYSCSO-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Nc1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001240219322 981171116 /nfs/dbraw/zinc/17/11/16/981171116.db2.gz GHKCHMYHFYSCSO-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1c[nH]cc1C ZINC001347972857 981231125 /nfs/dbraw/zinc/23/11/25/981231125.db2.gz RNCJTOPXXWSTQU-UHFFFAOYSA-N 1 2 233.271 1.897 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1C(C)(C)C1(C)C ZINC001347981185 981234334 /nfs/dbraw/zinc/23/43/34/981234334.db2.gz QNLRDIAEBSNACM-UHFFFAOYSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@H](C[NH2+][C@H](CC)c1noc(C)n1)OC ZINC001193238629 981277502 /nfs/dbraw/zinc/27/75/02/981277502.db2.gz JPPGGPGYRZSIBW-NXEZZACHSA-N 1 2 227.308 1.844 20 0 BDADLO COCCOC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001193380369 981311609 /nfs/dbraw/zinc/31/16/09/981311609.db2.gz VFBQQQJCSMXGNA-UHFFFAOYSA-N 1 2 235.243 1.529 20 0 BDADLO CCN(C(=O)OC(C)C)C1C[NH+](C)C1 ZINC001193476289 981345971 /nfs/dbraw/zinc/34/59/71/981345971.db2.gz JRXPDHOAOZYIPD-UHFFFAOYSA-N 1 2 200.282 1.167 20 0 BDADLO C[C@H](C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1)n1cc[nH+]c1 ZINC001348411599 981356384 /nfs/dbraw/zinc/35/63/84/981356384.db2.gz MKMRBWZHUVEJEM-NRWUCQMLSA-N 1 2 247.342 1.997 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)sn1 ZINC001348453267 981366738 /nfs/dbraw/zinc/36/67/38/981366738.db2.gz AJUOLPMNKPEFSJ-MRVPVSSYSA-N 1 2 236.300 1.848 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)C1(C)CC1 ZINC001348626895 981410310 /nfs/dbraw/zinc/41/03/10/981410310.db2.gz SLSOPSOVLTZCNS-UHFFFAOYSA-N 1 2 222.288 1.696 20 0 BDADLO CC[C@H](OC)C(=O)OCCCc1c[nH+]cn1C ZINC001348626917 981410854 /nfs/dbraw/zinc/41/08/54/981410854.db2.gz UCPDUHGWOHWAMG-NSHDSACASA-N 1 2 240.303 1.321 20 0 BDADLO COc1cncnc1-c1ccn2cc[nH+]c2c1 ZINC001240496017 981416194 /nfs/dbraw/zinc/41/61/94/981416194.db2.gz CQNSKNAGKSQAKD-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO CCCCOC(=O)NCc1c[nH+]cn1CCF ZINC001193731248 981416327 /nfs/dbraw/zinc/41/63/27/981416327.db2.gz CGZHPAFRCZHODM-UHFFFAOYSA-N 1 2 243.282 1.879 20 0 BDADLO Cn1nc(-c2ccn3cc[nH+]c3c2)ccc1=O ZINC001240509393 981433351 /nfs/dbraw/zinc/43/33/51/981433351.db2.gz YJNUYUAGCQAZLM-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO CCn1c[nH+]cc1CNCc1cc(C)on1 ZINC000085183802 981454657 /nfs/dbraw/zinc/45/46/57/981454657.db2.gz HJZOLFFRRBVCQW-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCN(C(=O)c1ccc(C)[nH]1)C1C[NH+](C)C1 ZINC001193904986 981508469 /nfs/dbraw/zinc/50/84/69/981508469.db2.gz DEXDFCJHVIULHB-UHFFFAOYSA-N 1 2 221.304 1.099 20 0 BDADLO COc1cc(-c2cc[nH+]c(N)c2)cnc1OC ZINC001240620766 981517110 /nfs/dbraw/zinc/51/71/10/981517110.db2.gz XIVBFIWFABIZMX-UHFFFAOYSA-N 1 2 231.255 1.743 20 0 BDADLO CON(Cc1ccc(C)o1)C(=O)Cn1cc[nH+]c1 ZINC001349405471 981546272 /nfs/dbraw/zinc/54/62/72/981546272.db2.gz KXZUSPKXRHMROO-UHFFFAOYSA-N 1 2 249.270 1.375 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001349809465 981755415 /nfs/dbraw/zinc/75/54/15/981755415.db2.gz BBFFACGPAWHCQM-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC001349950559 981824990 /nfs/dbraw/zinc/82/49/90/981824990.db2.gz GSHQXJQVHYCPGM-NWDGAFQWSA-N 1 2 247.342 1.658 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001350091796 981868285 /nfs/dbraw/zinc/86/82/85/981868285.db2.gz SNNQDDOIQPZQJY-GHMZBOCLSA-N 1 2 233.315 1.221 20 0 BDADLO C=Cc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001240830629 981871587 /nfs/dbraw/zinc/87/15/87/981871587.db2.gz DTLPKCBWBXLDMT-UHFFFAOYSA-N 1 2 234.299 1.436 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)oc1C ZINC001584992094 981897883 /nfs/dbraw/zinc/89/78/83/981897883.db2.gz IQNNNVBNLGDSLQ-LLVKDONJSA-N 1 2 249.314 1.857 20 0 BDADLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)oc1C ZINC001584992094 981897888 /nfs/dbraw/zinc/89/78/88/981897888.db2.gz IQNNNVBNLGDSLQ-LLVKDONJSA-N 1 2 249.314 1.857 20 0 BDADLO CNc1cc(-c2cc(C)nn2C)cc[nH+]1 ZINC001240859384 981898316 /nfs/dbraw/zinc/89/83/16/981898316.db2.gz DBLCIMXNHKUDFO-UHFFFAOYSA-N 1 2 202.261 1.832 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cncc(C)c1 ZINC001350344385 981936211 /nfs/dbraw/zinc/93/62/11/981936211.db2.gz LUWQJZAWOOPWHH-UHFFFAOYSA-N 1 2 245.282 1.963 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CC(C)(C)C1CC1 ZINC001350512062 981991391 /nfs/dbraw/zinc/99/13/91/981991391.db2.gz RIXDTRUOWLZYCB-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C(C)(C)C(F)F ZINC001350513122 981991488 /nfs/dbraw/zinc/99/14/88/981991488.db2.gz YYCXNCSCNVXZCS-UHFFFAOYSA-N 1 2 245.273 1.370 20 0 BDADLO Cc1noc(C)c1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001350545438 981998096 /nfs/dbraw/zinc/99/80/96/981998096.db2.gz WESVXNFSHIXLQA-UHFFFAOYSA-N 1 2 248.286 1.216 20 0 BDADLO O=C(NCc1ccc2[nH+]ccn2c1)OCCF ZINC001194993896 982022124 /nfs/dbraw/zinc/02/21/24/982022124.db2.gz BAABADDWSNUWBV-UHFFFAOYSA-N 1 2 237.234 1.530 20 0 BDADLO COC[C@@H](O)C[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC001195055246 982039814 /nfs/dbraw/zinc/03/98/14/982039814.db2.gz MYQFAVHWPTUMAW-AWEZNQCLSA-N 1 2 249.310 1.212 20 0 BDADLO COC[C@@H](O)C[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC001195055246 982039823 /nfs/dbraw/zinc/03/98/23/982039823.db2.gz MYQFAVHWPTUMAW-AWEZNQCLSA-N 1 2 249.310 1.212 20 0 BDADLO CCC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001350814269 982094927 /nfs/dbraw/zinc/09/49/27/982094927.db2.gz JFXXBRRWSCMLQQ-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC(C)(C)C ZINC001350891899 982116051 /nfs/dbraw/zinc/11/60/51/982116051.db2.gz GKCJDBCTKMIIBJ-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO COC/C(C)=C/C[N@H+](C)Cc1nccn1C ZINC001351155833 982220795 /nfs/dbraw/zinc/22/07/95/982220795.db2.gz QELIIBVWDUOUGQ-VZUCSPMQSA-N 1 2 223.320 1.445 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)Cc1nccn1C ZINC001351155833 982220809 /nfs/dbraw/zinc/22/08/09/982220809.db2.gz QELIIBVWDUOUGQ-VZUCSPMQSA-N 1 2 223.320 1.445 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@H]1CCc2ccccc2C1 ZINC001351220348 982237670 /nfs/dbraw/zinc/23/76/70/982237670.db2.gz LEOGLQVROMRENO-ZDUSSCGKSA-N 1 2 242.326 1.794 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1CCc2ccccc2C1 ZINC001351220348 982237677 /nfs/dbraw/zinc/23/76/77/982237677.db2.gz LEOGLQVROMRENO-ZDUSSCGKSA-N 1 2 242.326 1.794 20 0 BDADLO Nc1cc(-c2cnc3[nH]cnc3c2)cc[nH+]1 ZINC001241162721 982299837 /nfs/dbraw/zinc/29/98/37/982299837.db2.gz GTLMSICATHNJBH-UHFFFAOYSA-N 1 2 211.228 1.602 20 0 BDADLO Nc1cc(-c2cccc3c2C(=O)NC3)cc[nH+]1 ZINC001241163354 982300536 /nfs/dbraw/zinc/30/05/36/982300536.db2.gz MHIZKPJYUTZKQV-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO Cc1nc2ccc(-c3cc[nH+]c(N)c3)cn2n1 ZINC001241163218 982301832 /nfs/dbraw/zinc/30/18/32/982301832.db2.gz QVNFHNKOKVOSNA-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Nc1cc(-c2ccc3c(c2)CNC3=O)cc[nH+]1 ZINC001241162284 982303495 /nfs/dbraw/zinc/30/34/95/982303495.db2.gz HIFGTZVJBFHLMS-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO Nc1cc(-c2ccn3cnnc3c2)cc[nH+]1 ZINC001241163894 982306842 /nfs/dbraw/zinc/30/68/42/982306842.db2.gz UAQKXFPPDZOHDU-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H]2[C@@H](C)C2(F)F)[nH+]c1C ZINC001351634399 982345641 /nfs/dbraw/zinc/34/56/41/982345641.db2.gz AYPCVEXAQHHVEG-ANLVUFKYSA-N 1 2 243.257 1.544 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CO[C@@H](C2CC2)C1)n1cc[nH+]c1 ZINC001351652986 982353561 /nfs/dbraw/zinc/35/35/61/982353561.db2.gz LCLIRIGDMSGUCC-ADEWGFFLSA-N 1 2 249.314 1.128 20 0 BDADLO CCc1cccc(NC(=O)C[N@@H+]2CC[C@H]2CO)c1 ZINC001351734838 982369383 /nfs/dbraw/zinc/36/93/83/982369383.db2.gz JRRDHWGGZMQUCM-ZDUSSCGKSA-N 1 2 248.326 1.254 20 0 BDADLO CCc1cccc(NC(=O)C[N@H+]2CC[C@H]2CO)c1 ZINC001351734838 982369392 /nfs/dbraw/zinc/36/93/92/982369392.db2.gz JRRDHWGGZMQUCM-ZDUSSCGKSA-N 1 2 248.326 1.254 20 0 BDADLO COc1ncncc1-c1c[nH+]c(N(C)C)cc1C ZINC001241248543 982389001 /nfs/dbraw/zinc/38/90/01/982389001.db2.gz POJVGXWGPDHDBG-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001196100007 982400216 /nfs/dbraw/zinc/40/02/16/982400216.db2.gz QSEMNVUGLJKACL-UHFFFAOYSA-N 1 2 241.241 1.063 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCCC(F)(F)F ZINC001351926482 982410743 /nfs/dbraw/zinc/41/07/43/982410743.db2.gz GBRGZKUDQSMXMI-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCCC(F)(F)F ZINC001351926482 982410751 /nfs/dbraw/zinc/41/07/51/982410751.db2.gz GBRGZKUDQSMXMI-QMMMGPOBSA-N 1 2 238.253 1.539 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859227 982490172 /nfs/dbraw/zinc/49/01/72/982490172.db2.gz JKZVLGOUUNVYCL-NWDGAFQWSA-N 1 2 225.263 1.561 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859227 982490179 /nfs/dbraw/zinc/49/01/79/982490179.db2.gz JKZVLGOUUNVYCL-NWDGAFQWSA-N 1 2 225.263 1.561 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC1CCC1 ZINC001352402148 982518838 /nfs/dbraw/zinc/51/88/38/982518838.db2.gz TUJBVANFIGCVHM-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCOc1ccc[nH+]c1N[C@@H](C)CCO ZINC000160260040 982543788 /nfs/dbraw/zinc/54/37/88/982543788.db2.gz PBWLYUFHHFKGEM-VIFPVBQESA-N 1 2 210.277 1.663 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[O-] ZINC001589068151 982599935 /nfs/dbraw/zinc/59/99/35/982599935.db2.gz USCZEKZHYMTSMN-GRYCIOLGSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[O-] ZINC001589068151 982599949 /nfs/dbraw/zinc/59/99/49/982599949.db2.gz USCZEKZHYMTSMN-GRYCIOLGSA-N 1 2 240.347 1.314 20 0 BDADLO C/C=C(/CC)C(=O)NCCc1[nH+]ccn1C ZINC001352868295 982612536 /nfs/dbraw/zinc/61/25/36/982612536.db2.gz PGTNIXZZHWVZSB-WMZJFQQLSA-N 1 2 221.304 1.435 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnc(C)c(C)c1 ZINC001589163430 982655380 /nfs/dbraw/zinc/65/53/80/982655380.db2.gz QDNYQUCCEUEWEJ-GFCCVEGCSA-N 1 2 233.315 1.731 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnc(C)c(C)c1 ZINC001589163430 982655383 /nfs/dbraw/zinc/65/53/83/982655383.db2.gz QDNYQUCCEUEWEJ-GFCCVEGCSA-N 1 2 233.315 1.731 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]cccc2C(=O)[O-])CC[NH2+]1 ZINC001589291436 982696523 /nfs/dbraw/zinc/69/65/23/982696523.db2.gz IBVMSDJMYUWPKV-IUCAKERBSA-N 1 2 235.287 1.332 20 0 BDADLO Fc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1 ZINC001203915761 982831313 /nfs/dbraw/zinc/83/13/13/982831313.db2.gz DSFDBYRIKHVMIQ-RYUDHWBXSA-N 1 2 207.248 1.799 20 0 BDADLO Fc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1 ZINC001203915761 982831315 /nfs/dbraw/zinc/83/13/15/982831315.db2.gz DSFDBYRIKHVMIQ-RYUDHWBXSA-N 1 2 207.248 1.799 20 0 BDADLO Sc1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241602258 982841974 /nfs/dbraw/zinc/84/19/74/982841974.db2.gz CVJOEWZIHVSVTB-UHFFFAOYSA-N 1 2 231.324 1.983 20 0 BDADLO CC(C)(C)[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001353977685 983104958 /nfs/dbraw/zinc/10/49/58/983104958.db2.gz KMEJLZHFQXYNRB-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO O=C([C@@H]1C[C@@H]1F)N1CCN(c2cccc[nH+]2)CC1 ZINC001354071694 983138528 /nfs/dbraw/zinc/13/85/28/983138528.db2.gz UKHXMIOMLLEEJV-MNOVXSKESA-N 1 2 249.289 1.088 20 0 BDADLO NC(=O)c1ccc(F)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201291865 983170221 /nfs/dbraw/zinc/17/02/21/983170221.db2.gz GUNNZTODSWGKHV-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO COc1ccc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201272572 983173126 /nfs/dbraw/zinc/17/31/26/983173126.db2.gz QECBATSFLOICQM-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO Nc1ccc(Nc2cccc(F)n2)c[nH+]1 ZINC001201273033 983175068 /nfs/dbraw/zinc/17/50/68/983175068.db2.gz ZGJOOPLQSZVSKG-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO Nc1ccc(Nc2ccc(F)cn2)c[nH+]1 ZINC001201272980 983177387 /nfs/dbraw/zinc/17/73/87/983177387.db2.gz XUEJCTCDIGKQDK-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO Nc1ccc(Nc2ccn3cnnc3c2)c[nH+]1 ZINC001201278553 983178178 /nfs/dbraw/zinc/17/81/78/983178178.db2.gz KTYXBMMDHHGIRB-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO c1c[nH]c(-c2ccc(C[NH+]3CCOCC3)cn2)n1 ZINC001242013250 983206597 /nfs/dbraw/zinc/20/65/97/983206597.db2.gz CWKUAEOIDCVQJJ-UHFFFAOYSA-N 1 2 244.298 1.304 20 0 BDADLO CCCC[C@@H](O)C[N@H+](C)Cc1ncccn1 ZINC001252075961 983235946 /nfs/dbraw/zinc/23/59/46/983235946.db2.gz FTTXNHRNUZKXMD-LLVKDONJSA-N 1 2 223.320 1.460 20 0 BDADLO CCCC[C@@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001252075961 983235956 /nfs/dbraw/zinc/23/59/56/983235956.db2.gz FTTXNHRNUZKXMD-LLVKDONJSA-N 1 2 223.320 1.460 20 0 BDADLO COC(=O)c1cncc(-c2c[nH+]c(N)cc2C)n1 ZINC001242071282 983304307 /nfs/dbraw/zinc/30/43/07/983304307.db2.gz YKOWCHFQCXWNMB-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2c(n1)COC2 ZINC001242077929 983324880 /nfs/dbraw/zinc/32/48/80/983324880.db2.gz LWNGQNVAPXFQFS-UHFFFAOYSA-N 1 2 228.255 1.459 20 0 BDADLO CC[N@@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001201572488 983337728 /nfs/dbraw/zinc/33/77/28/983337728.db2.gz LDBLIIGZQLHQBJ-IUCAKERBSA-N 1 2 232.299 1.553 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1nnc(C)o1)C2 ZINC001354994653 983390413 /nfs/dbraw/zinc/39/04/13/983390413.db2.gz HGWCXHNBBDGLAZ-UHFFFAOYSA-N 1 2 247.302 1.153 20 0 BDADLO CSCCC[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001201695712 983409223 /nfs/dbraw/zinc/40/92/23/983409223.db2.gz AXXLWYHIFAGOJW-UHFFFAOYSA-N 1 2 237.315 1.850 20 0 BDADLO CCO[C@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001355128251 983424041 /nfs/dbraw/zinc/42/40/41/983424041.db2.gz NEUVZIARPNIYHL-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO CCc1cc(NCc2cn(C)nn2)nc(CC)[nH+]1 ZINC001355311170 983466371 /nfs/dbraw/zinc/46/63/71/983466371.db2.gz CEMCNRUMZPFRMF-UHFFFAOYSA-N 1 2 246.318 1.342 20 0 BDADLO CC1(C)C[C@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001355332557 983474178 /nfs/dbraw/zinc/47/41/78/983474178.db2.gz JZJAOVHLGFCNMT-LURJTMIESA-N 1 2 247.245 1.664 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CC1CCCC1 ZINC001202138095 983570646 /nfs/dbraw/zinc/57/06/46/983570646.db2.gz DTLGDNCRJRLFRA-MNOVXSKESA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CC1CCCC1 ZINC001202138095 983570656 /nfs/dbraw/zinc/57/06/56/983570656.db2.gz DTLGDNCRJRLFRA-MNOVXSKESA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)CCC[NH+]1CC(OC(C)C)C1 ZINC001202252802 983607996 /nfs/dbraw/zinc/60/79/96/983607996.db2.gz LAKGKFQTBAEKMX-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO COc1cccc(NC(=O)NC2C[NH+](C)C2)c1 ZINC001202285659 983623194 /nfs/dbraw/zinc/62/31/94/983623194.db2.gz CEKXBUDZHYVIHJ-UHFFFAOYSA-N 1 2 235.287 1.131 20 0 BDADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(C)n[nH]1 ZINC001202388596 983631942 /nfs/dbraw/zinc/63/19/42/983631942.db2.gz UQBWZIBVFDSMFS-JTQLQIEISA-N 1 2 233.319 1.785 20 0 BDADLO O[C@H](C[NH2+]CC(F)F)Cc1ccc(F)cc1 ZINC001356586625 983634418 /nfs/dbraw/zinc/63/44/18/983634418.db2.gz UARVLDGUZIATSP-JTQLQIEISA-N 1 2 233.233 1.584 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CCOC1 ZINC001202464869 983669766 /nfs/dbraw/zinc/66/97/66/983669766.db2.gz POKDHFQUYUPQET-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@H+]1C[C@H]1CCOC1 ZINC001202464869 983669770 /nfs/dbraw/zinc/66/97/70/983669770.db2.gz POKDHFQUYUPQET-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO CCCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001252108690 983681059 /nfs/dbraw/zinc/68/10/59/983681059.db2.gz RBHHXUDZBMNUAZ-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO CCCC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001252113221 983696075 /nfs/dbraw/zinc/69/60/75/983696075.db2.gz WSTPQYWKCTXVOU-JTQLQIEISA-N 1 2 231.336 1.469 20 0 BDADLO COCCCn1cc(/C(C)=C/C=C/[NH3+])cn1 ZINC001242488953 983814493 /nfs/dbraw/zinc/81/44/93/983814493.db2.gz XCIXUQUONBCWAY-IQWGBCIFSA-N 1 2 221.304 1.795 20 0 BDADLO Cc1cc(-c2cncc(N)c2)c[nH+]c1N ZINC001242500714 983824792 /nfs/dbraw/zinc/82/47/92/983824792.db2.gz ZRTCZUSQUGKNMA-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cn1 ZINC001560472263 983937455 /nfs/dbraw/zinc/93/74/55/983937455.db2.gz SKEWZYKKOGIYJD-ZYHUDNBSSA-N 1 2 243.314 1.976 20 0 BDADLO COC(=O)C1(C)CC[NH+](Cc2cc[nH]n2)CC1 ZINC001137128924 983961998 /nfs/dbraw/zinc/96/19/98/983961998.db2.gz DWUZJZQYXCWRQB-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C=O)s1 ZINC001137140233 983967452 /nfs/dbraw/zinc/96/74/52/983967452.db2.gz RBBPXFRSAJJYLU-UHFFFAOYSA-N 1 2 249.295 1.522 20 0 BDADLO CO[C@H](C[NH2+]Cc1nccs1)C(F)(F)F ZINC000379945555 984039820 /nfs/dbraw/zinc/03/98/20/984039820.db2.gz QOQLGPGILBFXJY-ZCFIWIBFSA-N 1 2 240.250 1.810 20 0 BDADLO COc1cc(-c2c[nH+]cn2C)cc(C)n1 ZINC001242747515 984105575 /nfs/dbraw/zinc/10/55/75/984105575.db2.gz MWJOHRSZWLQVQR-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO Clc1ccncc1C[N@@H+]1CCn2nncc2C1 ZINC001137237742 984201798 /nfs/dbraw/zinc/20/17/98/984201798.db2.gz HVHGYKCFJCDKIM-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ccncc1C[N@H+]1CCn2nncc2C1 ZINC001137237742 984201806 /nfs/dbraw/zinc/20/18/06/984201806.db2.gz HVHGYKCFJCDKIM-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO COc1ccc(-c2c[nH+]cn2C)c(C)n1 ZINC001242925641 984298815 /nfs/dbraw/zinc/29/88/15/984298815.db2.gz HEKZLPXBAKQMHN-UHFFFAOYSA-N 1 2 203.245 1.799 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1)c1cn(C)nn1 ZINC000715923254 984342811 /nfs/dbraw/zinc/34/28/11/984342811.db2.gz QSZGQKKQNCPTPW-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)[C@H](O)CCO2 ZINC001243067707 984484270 /nfs/dbraw/zinc/48/42/70/984484270.db2.gz NXRMZICAYISEDO-GFCCVEGCSA-N 1 2 230.267 1.903 20 0 BDADLO CN(C(=O)Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001441821732 984489873 /nfs/dbraw/zinc/48/98/73/984489873.db2.gz YZZDSIAOKYVMHC-UHFFFAOYSA-N 1 2 233.246 1.754 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001243069967 984495738 /nfs/dbraw/zinc/49/57/38/984495738.db2.gz CMVVEQIARHPHIE-UHFFFAOYSA-N 1 2 244.233 1.406 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC(C)(C)C1 ZINC001446275775 984636705 /nfs/dbraw/zinc/63/67/05/984636705.db2.gz RZNMAELAMGPSAK-SNVBAGLBSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1cc(C)c(O)c(NC(=O)Cn2cc[nH+]c2)c1 ZINC001454595723 984803925 /nfs/dbraw/zinc/80/39/25/984803925.db2.gz ACTONNVCZBMHAV-UHFFFAOYSA-N 1 2 245.282 1.844 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1cnc(Cl)s1)C2 ZINC001276049966 984807691 /nfs/dbraw/zinc/80/76/91/984807691.db2.gz LLFFGAQDTYBUDH-UHFFFAOYSA-N 1 2 243.763 1.686 20 0 BDADLO C[N@H+]1CCC12CN(Cc1cnc(Cl)s1)C2 ZINC001276049966 984807693 /nfs/dbraw/zinc/80/76/93/984807693.db2.gz LLFFGAQDTYBUDH-UHFFFAOYSA-N 1 2 243.763 1.686 20 0 BDADLO COc1ccc(C[NH+]2CC3(CCN3C)C2)c(C)c1 ZINC001276092120 984815382 /nfs/dbraw/zinc/81/53/82/984815382.db2.gz IHDWVGCALIQMOC-UHFFFAOYSA-N 1 2 246.354 1.894 20 0 BDADLO CSC1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001448610475 984817930 /nfs/dbraw/zinc/81/79/30/984817930.db2.gz DHMPMZOMGDJKAC-UHFFFAOYSA-N 1 2 239.344 1.272 20 0 BDADLO Nc1[nH+]cccc1-c1cnc(N2CCCC2)nc1 ZINC001243312048 984826735 /nfs/dbraw/zinc/82/67/35/984826735.db2.gz AZLGFMZIUWEPSB-UHFFFAOYSA-N 1 2 241.298 1.721 20 0 BDADLO CCc1ccc(NC(=O)[C@H]2CSC[NH2+]2)nc1 ZINC001578260810 984909440 /nfs/dbraw/zinc/90/94/40/984909440.db2.gz CGUXMLOJCJUPMG-SECBINFHSA-N 1 2 237.328 1.245 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CC[N@H+]2CC)nn1C ZINC001451877488 984914647 /nfs/dbraw/zinc/91/46/47/984914647.db2.gz QEJAGJCUNDIVAZ-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO CCc1cc(NC(=O)[C@@H]2CC[N@@H+]2CC)nn1C ZINC001451877488 984914666 /nfs/dbraw/zinc/91/46/66/984914666.db2.gz QEJAGJCUNDIVAZ-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO Cc1cc(-c2cc[nH]c(=O)c2)c[nH+]c1N ZINC001243428908 984929266 /nfs/dbraw/zinc/92/92/66/984929266.db2.gz WVIILYUNCGSDNU-UHFFFAOYSA-N 1 2 201.229 1.740 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2cnc(N)cn2)o1 ZINC001578289844 984935245 /nfs/dbraw/zinc/93/52/45/984935245.db2.gz HCNSQTSFQHYCAF-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2ncoc(=O)c2c1 ZINC001243474486 985028053 /nfs/dbraw/zinc/02/80/53/985028053.db2.gz MRVHDTHZDLMWPV-UHFFFAOYSA-N 1 2 239.234 1.832 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(=O)[nH]n1 ZINC001257444287 985032886 /nfs/dbraw/zinc/03/28/86/985032886.db2.gz MQWAUNUVCUDDQZ-QMMMGPOBSA-N 1 2 248.261 1.567 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1NC(=O)CO2 ZINC001243477530 985039021 /nfs/dbraw/zinc/03/90/21/985039021.db2.gz SCSYSTIJKSVCLQ-UHFFFAOYSA-N 1 2 241.250 1.662 20 0 BDADLO CC[C@H](C)[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257448728 985046664 /nfs/dbraw/zinc/04/66/64/985046664.db2.gz WXOSHNMDRHNFRE-NSHDSACASA-N 1 2 233.315 1.529 20 0 BDADLO CC[C@H](C)[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257448728 985046680 /nfs/dbraw/zinc/04/66/80/985046680.db2.gz WXOSHNMDRHNFRE-NSHDSACASA-N 1 2 233.315 1.529 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)Nc3cn[nH]c3)ccn12 ZINC001454776502 985048757 /nfs/dbraw/zinc/04/87/57/985048757.db2.gz XPFOVTRMCPUGMO-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC[C@@H](CO)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456340458 985134552 /nfs/dbraw/zinc/13/45/52/985134552.db2.gz IUGXWHZZFVXUHO-VIFPVBQESA-N 1 2 239.319 1.168 20 0 BDADLO CC[C@@H](CO)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456340458 985134559 /nfs/dbraw/zinc/13/45/59/985134559.db2.gz IUGXWHZZFVXUHO-VIFPVBQESA-N 1 2 239.319 1.168 20 0 BDADLO COC(=O)COc1ccc(/C(C)=C/C=C/[NH3+])cn1 ZINC001243634266 985151983 /nfs/dbraw/zinc/15/19/83/985151983.db2.gz LRVGKIQMJGWDEV-DROBUMMNSA-N 1 2 248.282 1.509 20 0 BDADLO C[C@H](C(=O)Nc1cc(F)ccn1)n1cc[nH+]c1 ZINC001457937863 985249584 /nfs/dbraw/zinc/24/95/84/985249584.db2.gz WDDMBPCAUQDGNF-MRVPVSSYSA-N 1 2 234.234 1.617 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000687819301 985413710 /nfs/dbraw/zinc/41/37/10/985413710.db2.gz SAWXIAZIRYVCME-SCZZXKLOSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nnc(C2CC2)o1 ZINC000687819301 985413720 /nfs/dbraw/zinc/41/37/20/985413720.db2.gz SAWXIAZIRYVCME-SCZZXKLOSA-N 1 2 237.303 1.292 20 0 BDADLO c1ccc2c(c1)C[N@H+](CC1=NOCC1)CCO2 ZINC001459389092 985494499 /nfs/dbraw/zinc/49/44/99/985494499.db2.gz CYGNPVYPJPKMRF-UHFFFAOYSA-N 1 2 232.283 1.657 20 0 BDADLO c1ccc2c(c1)C[N@@H+](CC1=NOCC1)CCO2 ZINC001459389092 985494527 /nfs/dbraw/zinc/49/45/27/985494527.db2.gz CYGNPVYPJPKMRF-UHFFFAOYSA-N 1 2 232.283 1.657 20 0 BDADLO Cc1cc2[nH+]ccn2cc1-c1cnc(N)nc1 ZINC001243874398 985532816 /nfs/dbraw/zinc/53/28/16/985532816.db2.gz DWHQRKSLKIZNKE-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO COC(=O)c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243947590 985620305 /nfs/dbraw/zinc/62/03/05/985620305.db2.gz MIMKDDHVGKHXCD-UHFFFAOYSA-N 1 2 218.256 1.593 20 0 BDADLO COc1ncnc(C2=C[NH2+]CCC2)c1C ZINC001243947616 985624535 /nfs/dbraw/zinc/62/45/35/985624535.db2.gz MQHWZZXUVBTGLI-UHFFFAOYSA-N 1 2 205.261 1.518 20 0 BDADLO Fc1cc2nn[nH]c2cc1C1=C[NH2+]CCC1 ZINC001243949828 985641647 /nfs/dbraw/zinc/64/16/47/985641647.db2.gz JQURKOJZCHRNSM-UHFFFAOYSA-N 1 2 218.235 1.821 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@H](CC)c1noc(C)n1 ZINC001459933482 985669331 /nfs/dbraw/zinc/66/93/31/985669331.db2.gz KUTBHLZJWFUDDD-ZJUUUORDSA-N 1 2 227.308 1.580 20 0 BDADLO Cc1ccc(C[N@H+](C)CCO)c(Cl)n1 ZINC000688554800 985679576 /nfs/dbraw/zinc/67/95/76/985679576.db2.gz WQVLCPVIGKWQAU-UHFFFAOYSA-N 1 2 214.696 1.468 20 0 BDADLO Cc1ccc(C[N@@H+](C)CCO)c(Cl)n1 ZINC000688554800 985679594 /nfs/dbraw/zinc/67/95/94/985679594.db2.gz WQVLCPVIGKWQAU-UHFFFAOYSA-N 1 2 214.696 1.468 20 0 BDADLO CO[C@H](C[NH2+][C@H](C)c1noc(C)n1)C1CCC1 ZINC001327553130 985704548 /nfs/dbraw/zinc/70/45/48/985704548.db2.gz DKNCYUZUCBWCDA-LDYMZIIASA-N 1 2 239.319 1.844 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cccnc2N)cnn1C ZINC001460054276 985724748 /nfs/dbraw/zinc/72/47/48/985724748.db2.gz KARFRZSISDPYRW-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cccnc2N)cnn1C ZINC001460054276 985724769 /nfs/dbraw/zinc/72/47/69/985724769.db2.gz KARFRZSISDPYRW-UHFFFAOYSA-N 1 2 245.330 1.338 20 0 BDADLO CC[C@H](C[N@@H+]1CCn2nccc2C1)OC ZINC001460507056 985857914 /nfs/dbraw/zinc/85/79/14/985857914.db2.gz BDXJUTWDQSPQKB-LLVKDONJSA-N 1 2 209.293 1.124 20 0 BDADLO CC[C@H](C[N@H+]1CCn2nccc2C1)OC ZINC001460507056 985857917 /nfs/dbraw/zinc/85/79/17/985857917.db2.gz BDXJUTWDQSPQKB-LLVKDONJSA-N 1 2 209.293 1.124 20 0 BDADLO CCOC(=O)CC[C@@H](C)[NH+]1CCC(=O)CC1 ZINC001258489799 985953105 /nfs/dbraw/zinc/95/31/05/985953105.db2.gz SNYPGLAXZAOJCU-SNVBAGLBSA-N 1 2 227.304 1.383 20 0 BDADLO c1cc(C[NH2+]Cc2cc3cccnc3o2)n[nH]1 ZINC001461019223 985996725 /nfs/dbraw/zinc/99/67/25/985996725.db2.gz NXVLDNQGVMXAPW-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cnc(C2CC2)s1 ZINC001461037464 986001172 /nfs/dbraw/zinc/00/11/72/986001172.db2.gz SRYSOXRJSLRKPT-UHFFFAOYSA-N 1 2 249.343 1.439 20 0 BDADLO CC(C)(C)c1nnc(C[NH2+]Cc2cccnc2)[nH]1 ZINC001461567368 986085775 /nfs/dbraw/zinc/08/57/75/986085775.db2.gz ZCKZLHZUGFKWRZ-UHFFFAOYSA-N 1 2 245.330 1.787 20 0 BDADLO CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1cnc(C)cn1 ZINC001037988384 986237957 /nfs/dbraw/zinc/23/79/57/986237957.db2.gz VJHIYUUUCAKDDJ-ZYHUDNBSSA-N 1 2 248.330 1.056 20 0 BDADLO CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1cnc(C)cn1 ZINC001037988384 986237970 /nfs/dbraw/zinc/23/79/70/986237970.db2.gz VJHIYUUUCAKDDJ-ZYHUDNBSSA-N 1 2 248.330 1.056 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@@H]1c1ncon1 ZINC001461977748 986246356 /nfs/dbraw/zinc/24/63/56/986246356.db2.gz IESSJEMRRYXWFP-LLVKDONJSA-N 1 2 247.302 1.623 20 0 BDADLO CNc1cc(-c2ccc(O)c(CO)c2)cc[nH+]1 ZINC001244779550 986344301 /nfs/dbraw/zinc/34/43/01/986344301.db2.gz YHIGOTUFWYFNPH-UHFFFAOYSA-N 1 2 230.267 1.988 20 0 BDADLO COc1cc(CO)cc(-c2ccc[nH+]c2N)c1 ZINC001244840078 986384625 /nfs/dbraw/zinc/38/46/25/986384625.db2.gz CWZBFKSDSXSIPS-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO CCCNC(=S)Nc1c[nH+]c(C)n1C ZINC001244852287 986396970 /nfs/dbraw/zinc/39/69/70/986396970.db2.gz CQNDFTBWHQGITA-UHFFFAOYSA-N 1 2 212.322 1.425 20 0 BDADLO CCn1c[nH+]cc1CNC1(c2ncon2)CC1 ZINC001462607413 986453228 /nfs/dbraw/zinc/45/32/28/986453228.db2.gz HXOXMBLHIPOEEQ-UHFFFAOYSA-N 1 2 233.275 1.065 20 0 BDADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)on1 ZINC001096689289 986478241 /nfs/dbraw/zinc/47/82/41/986478241.db2.gz KELNOXOHLLZFRD-UPJWGTAASA-N 1 2 249.314 1.224 20 0 BDADLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)on1 ZINC001096689289 986478256 /nfs/dbraw/zinc/47/82/56/986478256.db2.gz KELNOXOHLLZFRD-UPJWGTAASA-N 1 2 249.314 1.224 20 0 BDADLO CNc1cc(-c2ccnc(OC)c2N)cc[nH+]1 ZINC001244974307 986552708 /nfs/dbraw/zinc/55/27/08/986552708.db2.gz VHZQMYXJSBPZHZ-UHFFFAOYSA-N 1 2 230.271 1.776 20 0 BDADLO [NH3+][C@@H](CC(=O)N1C[C@H]2CCCC[C@H]21)C(F)F ZINC001580118332 986579941 /nfs/dbraw/zinc/57/99/41/986579941.db2.gz HYMYBPDRUXMITL-HRDYMLBCSA-N 1 2 232.274 1.370 20 0 BDADLO CSCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001465282276 986702906 /nfs/dbraw/zinc/70/29/06/986702906.db2.gz OURBQDJBCDIEIW-QMMMGPOBSA-N 1 2 241.360 1.518 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCNC(=O)C2(C)C)[nH]1 ZINC001137327678 986779050 /nfs/dbraw/zinc/77/90/50/986779050.db2.gz BFQQMMPILDWOMA-UHFFFAOYSA-N 1 2 235.331 1.342 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCNC(=O)C2(C)C)[nH]1 ZINC001137327678 986779062 /nfs/dbraw/zinc/77/90/62/986779062.db2.gz BFQQMMPILDWOMA-UHFFFAOYSA-N 1 2 235.331 1.342 20 0 BDADLO [NH3+][C@@H]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001580387003 986810553 /nfs/dbraw/zinc/81/05/53/986810553.db2.gz DHLNUSBGPNGNOK-XVMARJQXSA-N 1 2 242.216 1.130 20 0 BDADLO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001580387003 986810560 /nfs/dbraw/zinc/81/05/60/986810560.db2.gz DHLNUSBGPNGNOK-XVMARJQXSA-N 1 2 242.216 1.130 20 0 BDADLO CCOC(=O)[C@@H](C)n1cc(/C(C)=C/C=C/[NH3+])cn1 ZINC001245333758 986815081 /nfs/dbraw/zinc/81/50/81/986815081.db2.gz XMWPVOIAAURQQY-SDTVIGHBSA-N 1 2 249.314 1.883 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC12COC2 ZINC001137348763 986816097 /nfs/dbraw/zinc/81/60/97/986816097.db2.gz NONDBFXJRQABCR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc2c(c1)n[nH]c2C[N@H+]1CCCC12COC2 ZINC001137348763 986816105 /nfs/dbraw/zinc/81/61/05/986816105.db2.gz NONDBFXJRQABCR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@@H+]1CCCC12COC2 ZINC001137348763 986816108 /nfs/dbraw/zinc/81/61/08/986816108.db2.gz NONDBFXJRQABCR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1ccc2c(c1)[nH]nc2C[N@H+]1CCCC12COC2 ZINC001137348763 986816115 /nfs/dbraw/zinc/81/61/15/986816115.db2.gz NONDBFXJRQABCR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc(F)cc2F)C1 ZINC000383840585 986828517 /nfs/dbraw/zinc/82/85/17/986828517.db2.gz VBRFVEFTBDQKLT-SNVBAGLBSA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc(F)cc2F)C1 ZINC000383840585 986828522 /nfs/dbraw/zinc/82/85/22/986828522.db2.gz VBRFVEFTBDQKLT-SNVBAGLBSA-N 1 2 243.253 1.674 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Oc1ccccc1 ZINC000384264682 986846133 /nfs/dbraw/zinc/84/61/33/986846133.db2.gz PGDJLEFLQKDYBT-UHFFFAOYSA-N 1 2 231.255 1.709 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3cncnc3)C2)C1 ZINC001137669356 986891269 /nfs/dbraw/zinc/89/12/69/986891269.db2.gz OYXCZZCOPKIKIX-JTQLQIEISA-N 1 2 239.319 1.506 20 0 BDADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245535221 986905610 /nfs/dbraw/zinc/90/56/10/986905610.db2.gz IRGMUAXOCTZRAE-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO COc1ncnc(-c2c[nH+]c(N)c(C)c2)c1C ZINC001245535626 986907807 /nfs/dbraw/zinc/90/78/07/986907807.db2.gz MDCDYUVMQSEQHR-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001139606182 986910335 /nfs/dbraw/zinc/91/03/35/986910335.db2.gz DGGKVEGKYOKECY-ZMLRMANQSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001139606182 986910344 /nfs/dbraw/zinc/91/03/44/986910344.db2.gz DGGKVEGKYOKECY-ZMLRMANQSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001139606180 986911500 /nfs/dbraw/zinc/91/15/00/986911500.db2.gz DGGKVEGKYOKECY-DLOVCJGASA-N 1 2 236.290 1.880 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001139606180 986911507 /nfs/dbraw/zinc/91/15/07/986911507.db2.gz DGGKVEGKYOKECY-DLOVCJGASA-N 1 2 236.290 1.880 20 0 BDADLO CCN(C)c1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245536704 986912550 /nfs/dbraw/zinc/91/25/50/986912550.db2.gz YHCPGMLDZKCSSP-UHFFFAOYSA-N 1 2 243.314 1.885 20 0 BDADLO Cc1cc(-c2ccc(CC(N)=O)nc2)c[nH+]c1N ZINC001245537878 986919698 /nfs/dbraw/zinc/91/96/98/986919698.db2.gz GKQHMHFRROIRRX-UHFFFAOYSA-N 1 2 242.282 1.062 20 0 BDADLO COC[C@@H](C)[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001255576515 987024324 /nfs/dbraw/zinc/02/43/24/987024324.db2.gz GZLGTIZASYSWLC-SNVBAGLBSA-N 1 2 249.310 1.824 20 0 BDADLO COC[C@@H](C)[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001255576515 987024334 /nfs/dbraw/zinc/02/43/34/987024334.db2.gz GZLGTIZASYSWLC-SNVBAGLBSA-N 1 2 249.310 1.824 20 0 BDADLO COC[C@@H](C)[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001255582764 987031451 /nfs/dbraw/zinc/03/14/51/987031451.db2.gz ZQXGPCPNESZMGM-MRVPVSSYSA-N 1 2 221.247 1.131 20 0 BDADLO CCC[C@](C)([NH2+]Cc1c[nH+]c(C)n1C)C(=O)[O-] ZINC000689734617 987167517 /nfs/dbraw/zinc/16/75/17/987167517.db2.gz PQRWFPXKFHHUON-LBPRGKRZSA-N 1 2 239.319 1.462 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2cc(F)cc(F)c2)[nH]1 ZINC001245925265 987173468 /nfs/dbraw/zinc/17/34/68/987173468.db2.gz VYEISAIWKVQVAW-UHFFFAOYSA-N 1 2 239.225 1.374 20 0 BDADLO C/C=C(\C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101554402 987192079 /nfs/dbraw/zinc/19/20/79/987192079.db2.gz WYULWLLCIYXHAM-BJMVGYQFSA-N 1 2 248.330 1.622 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(F)ccn1 ZINC001472596240 987251139 /nfs/dbraw/zinc/25/11/39/987251139.db2.gz LCIJSRLKNIKUQZ-UHFFFAOYSA-N 1 2 234.234 1.515 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(CCc2c[nH]c[nH+]2)o1 ZINC001256649201 987264389 /nfs/dbraw/zinc/26/43/89/987264389.db2.gz WHPUJFBKPTUSKJ-CBAPKCEASA-N 1 2 218.260 1.701 20 0 BDADLO CCOC(OCC)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001472905617 987300792 /nfs/dbraw/zinc/30/07/92/987300792.db2.gz DFQUYHPMRDNCSF-SECBINFHSA-N 1 2 239.319 1.985 20 0 BDADLO CCC[C@H]1C[N@H+](CCNC(=O)C2CC2)CCO1 ZINC001473282404 987388557 /nfs/dbraw/zinc/38/85/57/987388557.db2.gz PIQRNSBQODMVHY-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@H]1C[N@@H+](CCNC(=O)C2CC2)CCO1 ZINC001473282404 987388559 /nfs/dbraw/zinc/38/85/59/987388559.db2.gz PIQRNSBQODMVHY-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CCOCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246112133 987445848 /nfs/dbraw/zinc/44/58/48/987445848.db2.gz PVEKIOMWNXCFIQ-VWYCJHECSA-N 1 2 218.316 1.091 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccn(C(C)C)n2)[nH]n1 ZINC001116106478 987448015 /nfs/dbraw/zinc/44/80/15/987448015.db2.gz JHVVZYWHILGBTH-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO Cc1nc(NCc2c(C)c(C)n[nH]c2=O)cc[nH+]1 ZINC001116132132 987454059 /nfs/dbraw/zinc/45/40/59/987454059.db2.gz UBYXWDQETOAALK-UHFFFAOYSA-N 1 2 245.286 1.510 20 0 BDADLO CCC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(C)=O ZINC001116171381 987463141 /nfs/dbraw/zinc/46/31/41/987463141.db2.gz SQINKMLHFHLOFC-NWDGAFQWSA-N 1 2 241.331 1.772 20 0 BDADLO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(C)=O ZINC001116171381 987463145 /nfs/dbraw/zinc/46/31/45/987463145.db2.gz SQINKMLHFHLOFC-NWDGAFQWSA-N 1 2 241.331 1.772 20 0 BDADLO C[C@@H](C(=O)Nc1cccc(CO)c1)n1cc[nH+]c1 ZINC001116406522 987554456 /nfs/dbraw/zinc/55/44/56/987554456.db2.gz LCTTVQSQPDVDKN-JTQLQIEISA-N 1 2 245.282 1.575 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@@H+]1CCC1OCCO1 ZINC001473878841 987598964 /nfs/dbraw/zinc/59/89/64/987598964.db2.gz AMBPMZQFTFKQNZ-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@H+]1CCC1OCCO1 ZINC001473878841 987598969 /nfs/dbraw/zinc/59/89/69/987598969.db2.gz AMBPMZQFTFKQNZ-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO C[C@H](C(=O)N[C@]1(C)CCO[C@H]1C)n1cc[nH+]c1 ZINC001116567238 987628647 /nfs/dbraw/zinc/62/86/47/987628647.db2.gz KABAOKQRDCHZCE-JFGNBEQYSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)nc1)c1ncnn1C ZINC001116738800 987688735 /nfs/dbraw/zinc/68/87/35/987688735.db2.gz NFCYFANOUOVAFA-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cnc(C2CC2)nc1 ZINC001474398081 987711784 /nfs/dbraw/zinc/71/17/84/987711784.db2.gz NAWPTTPADTWFQU-UHFFFAOYSA-N 1 2 248.330 1.050 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cnc(C2CC2)nc1 ZINC001474398081 987711790 /nfs/dbraw/zinc/71/17/90/987711790.db2.gz NAWPTTPADTWFQU-UHFFFAOYSA-N 1 2 248.330 1.050 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1cncn1C)c1nncn1C ZINC001117137010 987788218 /nfs/dbraw/zinc/78/82/18/987788218.db2.gz QGPQILNKDNFNPI-LLVKDONJSA-N 1 2 248.334 1.036 20 0 BDADLO C=Cn1cc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC001474721023 987807913 /nfs/dbraw/zinc/80/79/13/987807913.db2.gz MJBQUWOTYYPUCR-UHFFFAOYSA-N 1 2 244.298 1.716 20 0 BDADLO C=Cn1cc(C[N@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC001474721023 987807920 /nfs/dbraw/zinc/80/79/20/987807920.db2.gz MJBQUWOTYYPUCR-UHFFFAOYSA-N 1 2 244.298 1.716 20 0 BDADLO C[C@H]1CC[C@@H](CCc2nnc(C[NH+](C)C)o2)O1 ZINC001117260544 987813161 /nfs/dbraw/zinc/81/31/61/987813161.db2.gz LYRWPBMBAPQIEB-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCCC1(F)F)n1cc[nH+]c1 ZINC001117673242 987860000 /nfs/dbraw/zinc/86/00/00/987860000.db2.gz GGAQVHYVQNBPOZ-BDAKNGLRSA-N 1 2 243.257 1.748 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC/C=C\C1CC1 ZINC001117788540 987918206 /nfs/dbraw/zinc/91/82/06/987918206.db2.gz YWSXXSHQNYYGAF-OTDNITJGSA-N 1 2 248.330 1.537 20 0 BDADLO C[N@H+](CCNC(=O)C1CC1)Cc1ccns1 ZINC001480835679 988049810 /nfs/dbraw/zinc/04/98/10/988049810.db2.gz OIRFTIRUYDFDKC-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO C[N@@H+](CCNC(=O)C1CC1)Cc1ccns1 ZINC001480835679 988049823 /nfs/dbraw/zinc/04/98/23/988049823.db2.gz OIRFTIRUYDFDKC-UHFFFAOYSA-N 1 2 239.344 1.101 20 0 BDADLO CC1(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC001321939767 988051856 /nfs/dbraw/zinc/05/18/56/988051856.db2.gz RAKXHWDFRMJLML-UHFFFAOYSA-N 1 2 222.292 1.125 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCC[C@@H](C)O)C1CC1 ZINC001118292112 988196245 /nfs/dbraw/zinc/19/62/45/988196245.db2.gz ZEFOHKFDEKWYOB-KOLCDFICSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)c2ncnn21 ZINC001118628688 988485608 /nfs/dbraw/zinc/48/56/08/988485608.db2.gz NCELZWGTVCYQKI-GXSJLCMTSA-N 1 2 229.287 1.469 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC2(CCC2)O1 ZINC001118714501 988525796 /nfs/dbraw/zinc/52/57/96/988525796.db2.gz POCUNYVKSARWFI-JTQLQIEISA-N 1 2 249.314 1.122 20 0 BDADLO C[C@H](C(=O)N1C[C@@H]2CCCC[C@@H]21)n1cc[nH+]c1 ZINC001118722145 988526334 /nfs/dbraw/zinc/52/63/34/988526334.db2.gz ZLRIDDYREIUMQS-WOPDTQHZSA-N 1 2 233.315 1.845 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]21)n1cc[nH+]c1 ZINC001118722142 988526948 /nfs/dbraw/zinc/52/69/48/988526948.db2.gz ZLRIDDYREIUMQS-SRVKXCTJSA-N 1 2 233.315 1.845 20 0 BDADLO CN(C)c1ncccc1C[N@@H+]1CC[C@H](F)C1 ZINC001324438329 988841005 /nfs/dbraw/zinc/84/10/05/988841005.db2.gz KIHQDAGVHNEYSD-NSHDSACASA-N 1 2 223.295 1.691 20 0 BDADLO CN(C)c1ncccc1C[N@H+]1CC[C@H](F)C1 ZINC001324438329 988841008 /nfs/dbraw/zinc/84/10/08/988841008.db2.gz KIHQDAGVHNEYSD-NSHDSACASA-N 1 2 223.295 1.691 20 0 BDADLO Cc1c2[nH+]c(CCCO)[nH]c2ccc1F ZINC001247011013 988841330 /nfs/dbraw/zinc/84/13/30/988841330.db2.gz NTTPZSIHZQLIIU-UHFFFAOYSA-N 1 2 208.236 1.935 20 0 BDADLO Cc1cnccc1-c1noc(Cc2c[nH]c[nH+]2)n1 ZINC001247137162 988851930 /nfs/dbraw/zinc/85/19/30/988851930.db2.gz FDQSANSQCBCPJI-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO CC(C)(C(=O)N1CC[C@@H](CF)C1)c1c[nH+]c[nH]1 ZINC001119283072 988885084 /nfs/dbraw/zinc/88/50/84/988885084.db2.gz OBYCWXVUARXUKD-VIFPVBQESA-N 1 2 239.294 1.505 20 0 BDADLO Cc1c(F)cccc1-c1noc([C@H]([NH3+])CO)n1 ZINC001247490298 988896045 /nfs/dbraw/zinc/89/60/45/988896045.db2.gz FIJAYGPMWFUDQI-SECBINFHSA-N 1 2 237.234 1.176 20 0 BDADLO C[C@@H](C(=O)N1CCOC2(CCC2)C1)n1cc[nH+]c1 ZINC001324642187 988908172 /nfs/dbraw/zinc/90/81/72/988908172.db2.gz MOHPKNHYHIOIHO-NSHDSACASA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCc2ccccn2)no1 ZINC001119307894 988921283 /nfs/dbraw/zinc/92/12/83/988921283.db2.gz FKCNWKVEYDZTKK-VIFPVBQESA-N 1 2 232.287 1.666 20 0 BDADLO COc1cc(-c2noc([C@@H]([NH3+])CO)n2)ccc1C ZINC001247607865 988947483 /nfs/dbraw/zinc/94/74/83/988947483.db2.gz FNTVXGHUIDEMNE-VIFPVBQESA-N 1 2 249.270 1.046 20 0 BDADLO CCc1cccc(-c2noc([C@@H]([NH3+])CO)n2)c1 ZINC001247608207 988947730 /nfs/dbraw/zinc/94/77/30/988947730.db2.gz KRTIOAMGDIDZJA-JTQLQIEISA-N 1 2 233.271 1.291 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCC(F)(F)F ZINC001515228608 989006760 /nfs/dbraw/zinc/00/67/60/989006760.db2.gz UVJQCROEMOHAMW-MRVPVSSYSA-N 1 2 239.237 1.965 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC(F)(F)F ZINC001515228608 989006772 /nfs/dbraw/zinc/00/67/72/989006772.db2.gz UVJQCROEMOHAMW-MRVPVSSYSA-N 1 2 239.237 1.965 20 0 BDADLO Cn1cccc1C(=O)OCCCc1c[nH+]cn1C ZINC001515337676 989029247 /nfs/dbraw/zinc/02/92/47/989029247.db2.gz YJQDRBZGDXSNSO-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO CCc1nc(NCC[S@@](=O)CC)cc[nH+]1 ZINC001119404796 989042655 /nfs/dbraw/zinc/04/26/55/989042655.db2.gz XSHMXQWKPOLTBM-HNNXBMFYSA-N 1 2 227.333 1.220 20 0 BDADLO Nc1cc(N2CCC[C@H]2C2CCOCC2)[nH+]cn1 ZINC001515606036 989077431 /nfs/dbraw/zinc/07/74/31/989077431.db2.gz NUUMZZXRKFUIFO-NSHDSACASA-N 1 2 248.330 1.454 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2cnc(C)c(C)c2)no1 ZINC001248186395 989083432 /nfs/dbraw/zinc/08/34/32/989083432.db2.gz LBFXVSZISRDGIP-SNVBAGLBSA-N 1 2 248.286 1.395 20 0 BDADLO Cc1nc[nH]c1C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001119456588 989090990 /nfs/dbraw/zinc/09/09/90/989090990.db2.gz OHTHOTWSMBCHET-UHFFFAOYSA-N 1 2 230.271 1.404 20 0 BDADLO C[C@H](C(=O)NCC[C@H]1CCCO1)n1cc[nH+]c1 ZINC001119525331 989125965 /nfs/dbraw/zinc/12/59/65/989125965.db2.gz VQRLBMJDGNVATD-GHMZBOCLSA-N 1 2 237.303 1.129 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)[C@](C)(CO)C2)[nH+]1 ZINC001515907090 989127653 /nfs/dbraw/zinc/12/76/53/989127653.db2.gz DSHUEELVZQQNBP-ZANVPECISA-N 1 2 238.306 1.984 20 0 BDADLO CC[NH+](CC)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC001119540150 989146465 /nfs/dbraw/zinc/14/64/65/989146465.db2.gz GBUVKKZRKQLBNC-SECBINFHSA-N 1 2 248.286 1.162 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3n2CCC3)C1 ZINC001248821250 989175935 /nfs/dbraw/zinc/17/59/35/989175935.db2.gz SYLKYVYMUHGZRB-UHFFFAOYSA-N 1 2 206.289 1.001 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001325457908 989189531 /nfs/dbraw/zinc/18/95/31/989189531.db2.gz OZZTVXDCIWLLAT-MXWKQRLJSA-N 1 2 237.303 1.128 20 0 BDADLO O=C(CC1COC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001119594538 989201236 /nfs/dbraw/zinc/20/12/36/989201236.db2.gz XWXZGRSPUPRCMO-LLVKDONJSA-N 1 2 249.314 1.152 20 0 BDADLO CSCC[N@H+](C)Cc1nonc1C ZINC001248860348 989206092 /nfs/dbraw/zinc/20/60/92/989206092.db2.gz WVWOYCIZQARZDU-UHFFFAOYSA-N 1 2 201.295 1.173 20 0 BDADLO CSCC[N@@H+](C)Cc1nonc1C ZINC001248860348 989206101 /nfs/dbraw/zinc/20/61/01/989206101.db2.gz WVWOYCIZQARZDU-UHFFFAOYSA-N 1 2 201.295 1.173 20 0 BDADLO C[C@H](SCc1cc[nH+]c(N(C)C)c1)C(N)=O ZINC001325582732 989209983 /nfs/dbraw/zinc/20/99/83/989209983.db2.gz OHCWHHYWNFOWCV-QMMMGPOBSA-N 1 2 239.344 1.255 20 0 BDADLO Clc1ccn2ncc(C[NH+]3CC=CC3)c2n1 ZINC001248875805 989211500 /nfs/dbraw/zinc/21/15/00/989211500.db2.gz ZSSHDWUHMIJNFU-UHFFFAOYSA-N 1 2 234.690 1.755 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248977265 989236141 /nfs/dbraw/zinc/23/61/41/989236141.db2.gz AMPFLDXWPXENPR-GFCCVEGCSA-N 1 2 233.315 1.504 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248977265 989236154 /nfs/dbraw/zinc/23/61/54/989236154.db2.gz AMPFLDXWPXENPR-GFCCVEGCSA-N 1 2 233.315 1.504 20 0 BDADLO Cc1cc(C[N@H+]2CCCOCC2)ns1 ZINC001249571869 989311170 /nfs/dbraw/zinc/31/11/70/989311170.db2.gz YIKUFUAZDXHWBB-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO Cc1cc(C[N@@H+]2CCCOCC2)ns1 ZINC001249571869 989311154 /nfs/dbraw/zinc/31/11/54/989311154.db2.gz YIKUFUAZDXHWBB-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO Cc1cc(C[NH+]2CCC(O)CC2)ns1 ZINC001249571224 989311770 /nfs/dbraw/zinc/31/17/70/989311770.db2.gz NNOWAVDQOMINRP-UHFFFAOYSA-N 1 2 212.318 1.408 20 0 BDADLO Cc1cc(CN2CCn3c[nH+]cc3C2)ns1 ZINC001249588125 989318161 /nfs/dbraw/zinc/31/81/61/989318161.db2.gz CROFPDSXZBUWIS-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO Cc1cccnc1NC(=O)CCc1[nH+]ccn1C ZINC001518936238 989353534 /nfs/dbraw/zinc/35/35/34/989353534.db2.gz JQKZCUBRXMUWCT-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cc1ncccc1C[NH2+][C@@H](C)c1cc(CO)on1 ZINC001119709020 989353976 /nfs/dbraw/zinc/35/39/76/989353976.db2.gz LUDJSRHKSSIPDY-JTQLQIEISA-N 1 2 247.298 1.721 20 0 BDADLO Cc1c[nH]cc1C(=O)OCCCc1c[nH+]cn1C ZINC001519059446 989376818 /nfs/dbraw/zinc/37/68/18/989376818.db2.gz BYPCPVLNHQCPSI-UHFFFAOYSA-N 1 2 247.298 1.846 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001519215662 989389084 /nfs/dbraw/zinc/38/90/84/989389084.db2.gz MTYFYIILPPURAU-GHMZBOCLSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)N(C(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001519348401 989396856 /nfs/dbraw/zinc/39/68/56/989396856.db2.gz QMOUBXZVOSZSAV-UHFFFAOYSA-N 1 2 235.331 1.752 20 0 BDADLO CCOCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC001119948120 989502525 /nfs/dbraw/zinc/50/25/25/989502525.db2.gz CWFYWHCQYYFBFH-UHFFFAOYSA-N 1 2 224.308 1.015 20 0 BDADLO CCOCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC001119948120 989502541 /nfs/dbraw/zinc/50/25/41/989502541.db2.gz CWFYWHCQYYFBFH-UHFFFAOYSA-N 1 2 224.308 1.015 20 0 BDADLO COc1nc(Cl)c(C[N@@H+]2C[C@H](C)[C@H]2C)n1C ZINC001326344400 989507051 /nfs/dbraw/zinc/50/70/51/989507051.db2.gz RPFVKTDDLURFBQ-JGVFFNPUSA-N 1 2 243.738 1.922 20 0 BDADLO COc1nc(Cl)c(C[N@H+]2C[C@H](C)[C@H]2C)n1C ZINC001326344400 989507060 /nfs/dbraw/zinc/50/70/60/989507060.db2.gz RPFVKTDDLURFBQ-JGVFFNPUSA-N 1 2 243.738 1.922 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)O)C1CC1 ZINC001326388782 989540515 /nfs/dbraw/zinc/54/05/15/989540515.db2.gz VOPRRYJNGFNGFL-SNVBAGLBSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)[C@H]1CN(c2nccn3c[nH+]cc23)CCO1 ZINC001120035479 989570310 /nfs/dbraw/zinc/57/03/10/989570310.db2.gz XAJZTDUCINQDSP-GFCCVEGCSA-N 1 2 246.314 1.591 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n[nH]2)[C@H](C)CO1 ZINC001326476266 989572237 /nfs/dbraw/zinc/57/22/37/989572237.db2.gz SWKOOWLNLBWSEZ-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n[nH]2)[C@H](C)CO1 ZINC001326476266 989572245 /nfs/dbraw/zinc/57/22/45/989572245.db2.gz SWKOOWLNLBWSEZ-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)c1ncon1)n1cc[nH+]c1 ZINC001326514227 989593340 /nfs/dbraw/zinc/59/33/40/989593340.db2.gz CRHCWCYQMZBPLZ-IUCAKERBSA-N 1 2 249.274 1.095 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001326708318 989659009 /nfs/dbraw/zinc/65/90/09/989659009.db2.gz MTHHVHKXYUEGPN-SNVBAGLBSA-N 1 2 233.258 1.669 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001326708318 989659015 /nfs/dbraw/zinc/65/90/15/989659015.db2.gz MTHHVHKXYUEGPN-SNVBAGLBSA-N 1 2 233.258 1.669 20 0 BDADLO CS[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001521273193 989663188 /nfs/dbraw/zinc/66/31/88/989663188.db2.gz YMINYQKYBSUEPG-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC3(C)CC3)ccn12 ZINC001326780182 989700627 /nfs/dbraw/zinc/70/06/27/989700627.db2.gz GSWFFVJVEZBRRE-UHFFFAOYSA-N 1 2 229.283 1.925 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001120601812 989770806 /nfs/dbraw/zinc/77/08/06/989770806.db2.gz XCOXKGHMPMCJPQ-WDEREUQCSA-N 1 2 239.294 1.795 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001522102459 989831292 /nfs/dbraw/zinc/83/12/92/989831292.db2.gz ZWNIPKOZPTZYRO-HTQZYQBOSA-N 1 2 234.290 1.473 20 0 BDADLO CN(CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001120759650 989869294 /nfs/dbraw/zinc/86/92/94/989869294.db2.gz IXQARHUKQGSKRC-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001522726032 989872993 /nfs/dbraw/zinc/87/29/93/989872993.db2.gz BBVJHYDQQUZQLI-SYHAXYEDSA-N 1 2 232.274 1.130 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001522726036 989873243 /nfs/dbraw/zinc/87/32/43/989873243.db2.gz BBVJHYDQQUZQLI-XGQMLPDNSA-N 1 2 232.274 1.130 20 0 BDADLO CCc1ccc(N(C)CC(=O)N2CCCC2)[nH+]c1 ZINC001120797747 989887460 /nfs/dbraw/zinc/88/74/60/989887460.db2.gz LRWXLBZAKDAXQJ-UHFFFAOYSA-N 1 2 247.342 1.703 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@](C)(O)C2)[nH+]1 ZINC001120821196 989903309 /nfs/dbraw/zinc/90/33/09/989903309.db2.gz JHFLYAVGDJSVMZ-LLVKDONJSA-N 1 2 210.252 1.490 20 0 BDADLO Cc1cc(F)cc(N(C)C2CC(O)C2)[nH+]1 ZINC001120832966 989910030 /nfs/dbraw/zinc/91/00/30/989910030.db2.gz OTZDGLOUOUGSKX-UHFFFAOYSA-N 1 2 210.252 1.489 20 0 BDADLO Nc1cc(N2CC[C@H]3OCCC[C@@H]3C2)[nH+]cn1 ZINC001120911477 989962918 /nfs/dbraw/zinc/96/29/18/989962918.db2.gz UQDDGQFHGHGVDH-NXEZZACHSA-N 1 2 234.303 1.064 20 0 BDADLO Clc1ccnc(N2CCn3c[nH+]cc3C2)c1 ZINC001120934924 989975503 /nfs/dbraw/zinc/97/55/03/989975503.db2.gz KOPSHBZORACRIE-UHFFFAOYSA-N 1 2 234.690 1.952 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](C)[C@@H](CO)C2)[nH+]1 ZINC001120949172 989982756 /nfs/dbraw/zinc/98/27/56/989982756.db2.gz MTDGOMUDGNTKOS-GXSJLCMTSA-N 1 2 238.306 1.984 20 0 BDADLO C[S@](=O)[C@@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC001120970574 989993185 /nfs/dbraw/zinc/99/31/85/989993185.db2.gz VQCDOVSFYWDKKX-DRTKUVKGSA-N 1 2 242.319 1.354 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CC1CC1 ZINC001527007280 990199955 /nfs/dbraw/zinc/19/99/55/990199955.db2.gz JAIUJQCTOBVKTK-UHFFFAOYSA-N 1 2 208.261 1.746 20 0 BDADLO Cc1cc(NC(=O)c2nccnc2C)c(C)c[nH+]1 ZINC001527662244 990234269 /nfs/dbraw/zinc/23/42/69/990234269.db2.gz NXYVDFLSUGRMGI-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001528509877 990293894 /nfs/dbraw/zinc/29/38/94/990293894.db2.gz QSQYLUFRGUGLSQ-SDDRHHMPSA-N 1 2 247.342 1.658 20 0 BDADLO C=C/C(C)=C\CC(=O)NCCc1[nH+]ccn1C ZINC001528968713 990324247 /nfs/dbraw/zinc/32/42/47/990324247.db2.gz AIIJEYAIJFNHEH-WZUFQYTHSA-N 1 2 233.315 1.601 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)c2ccoc2)co1 ZINC001529127901 990332254 /nfs/dbraw/zinc/33/22/54/990332254.db2.gz CGIOBNONILKFSI-UHFFFAOYSA-N 1 2 249.270 1.259 20 0 BDADLO C/C=C/C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001529203638 990337614 /nfs/dbraw/zinc/33/76/14/990337614.db2.gz LRZMMEMAXLODLE-NSCUHMNNSA-N 1 2 233.315 1.767 20 0 BDADLO CC(C)=CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001122984631 990481176 /nfs/dbraw/zinc/48/11/76/990481176.db2.gz OIRBKPJWLDBQNN-UHFFFAOYSA-N 1 2 237.303 1.155 20 0 BDADLO Cc1cn(C)nc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001537891686 990517449 /nfs/dbraw/zinc/51/74/49/990517449.db2.gz NIBKWIGWSXMFNT-UHFFFAOYSA-N 1 2 244.298 1.415 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CC1(C)C ZINC001123376894 990567687 /nfs/dbraw/zinc/56/76/87/990567687.db2.gz DXHHVSXXDAHKMN-JTQLQIEISA-N 1 2 222.288 1.992 20 0 BDADLO CNc1cc(CNC(=O)NCC2CC2)cc[nH+]1 ZINC001123481311 990596144 /nfs/dbraw/zinc/59/61/44/990596144.db2.gz JHUFPUYORPICKS-UHFFFAOYSA-N 1 2 234.303 1.333 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC001540364127 990612200 /nfs/dbraw/zinc/61/22/00/990612200.db2.gz ZFABDDSWDLBPKD-LBPRGKRZSA-N 1 2 234.299 1.728 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC001540364127 990612206 /nfs/dbraw/zinc/61/22/06/990612206.db2.gz ZFABDDSWDLBPKD-LBPRGKRZSA-N 1 2 234.299 1.728 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC001540364126 990613197 /nfs/dbraw/zinc/61/31/97/990613197.db2.gz ZFABDDSWDLBPKD-GFCCVEGCSA-N 1 2 234.299 1.728 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC001540364126 990613199 /nfs/dbraw/zinc/61/31/99/990613199.db2.gz ZFABDDSWDLBPKD-GFCCVEGCSA-N 1 2 234.299 1.728 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1nccs1 ZINC001123582313 990619377 /nfs/dbraw/zinc/61/93/77/990619377.db2.gz HUJIADCJWVIRPO-UHFFFAOYSA-N 1 2 236.300 1.448 20 0 BDADLO CNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001540696971 990640410 /nfs/dbraw/zinc/64/04/10/990640410.db2.gz FRPVYRKBTKSLQY-UHFFFAOYSA-N 1 2 227.267 1.607 20 0 BDADLO CCCCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001123666263 990642101 /nfs/dbraw/zinc/64/21/01/990642101.db2.gz GBFILQQJRRRYPE-UHFFFAOYSA-N 1 2 239.319 1.379 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(C)c1ccc(OC)nc1 ZINC001542399064 990665031 /nfs/dbraw/zinc/66/50/31/990665031.db2.gz OLYHAFTXQAZZMC-LLVKDONJSA-N 1 2 249.314 1.147 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(C)c1ccc(OC)nc1 ZINC001542399064 990665033 /nfs/dbraw/zinc/66/50/33/990665033.db2.gz OLYHAFTXQAZZMC-LLVKDONJSA-N 1 2 249.314 1.147 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]1C1CC1 ZINC001123799011 990671351 /nfs/dbraw/zinc/67/13/51/990671351.db2.gz RLPNDHCDTJWSHC-LLVKDONJSA-N 1 2 233.315 1.364 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001123805695 990673052 /nfs/dbraw/zinc/67/30/52/990673052.db2.gz FLTZKHOQJCLGIO-VXGBXAGGSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC1(C)C ZINC001543275032 990686360 /nfs/dbraw/zinc/68/63/60/990686360.db2.gz MZOLBFIUQRPKQT-VIFPVBQESA-N 1 2 221.304 1.423 20 0 BDADLO Cc1coc(C(=O)NCCc2[nH+]ccn2C)c1 ZINC001124014781 990731733 /nfs/dbraw/zinc/73/17/33/990731733.db2.gz MQUZNMXBDVNPNU-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO O=C(CC1CC1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001124075651 990747921 /nfs/dbraw/zinc/74/79/21/990747921.db2.gz PYHMJJQDLQGOCU-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)C(NC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001124127347 990755026 /nfs/dbraw/zinc/75/50/26/990755026.db2.gz NHVMHRXDMUNXTJ-UHFFFAOYSA-N 1 2 237.347 1.759 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC2(CCC2)C1 ZINC001545618664 990756171 /nfs/dbraw/zinc/75/61/71/990756171.db2.gz KGZCUPNHQMSMSK-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC2(CCC2)C1 ZINC001545618664 990756177 /nfs/dbraw/zinc/75/61/77/990756177.db2.gz KGZCUPNHQMSMSK-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(F)F ZINC001548717785 990776990 /nfs/dbraw/zinc/77/69/90/990776990.db2.gz NVCWJOFWQGRLEQ-NKWVEPMBSA-N 1 2 231.246 1.358 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(F)F ZINC001548717785 990776998 /nfs/dbraw/zinc/77/69/98/990776998.db2.gz NVCWJOFWQGRLEQ-NKWVEPMBSA-N 1 2 231.246 1.358 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C(F)F ZINC001548717948 990782380 /nfs/dbraw/zinc/78/23/80/990782380.db2.gz RRPLBXPQKCLTMS-ZETCQYMHSA-N 1 2 231.246 1.123 20 0 BDADLO c1ncc(C[NH+]2CC3(CSC3)C2)cn1 ZINC001137671606 990837627 /nfs/dbraw/zinc/83/76/27/990837627.db2.gz TXBVZHAWKXAUQK-UHFFFAOYSA-N 1 2 207.302 1.025 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccc(F)nc2)cn1 ZINC001137741771 990846667 /nfs/dbraw/zinc/84/66/67/990846667.db2.gz WSIKBJKVPSRUHX-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccc(F)nc2)cn1 ZINC001137741771 990846669 /nfs/dbraw/zinc/84/66/69/990846669.db2.gz WSIKBJKVPSRUHX-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001556943507 990864051 /nfs/dbraw/zinc/86/40/51/990864051.db2.gz ZJTIDFKOSIOHPK-NTZNESFSSA-N 1 2 235.331 1.995 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001556943506 990865105 /nfs/dbraw/zinc/86/51/05/990865105.db2.gz ZJTIDFKOSIOHPK-NQBHXWOUSA-N 1 2 235.331 1.995 20 0 BDADLO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)CO)c1F ZINC001138116202 990884590 /nfs/dbraw/zinc/88/45/90/990884590.db2.gz ZJMZHWGTYFWGBP-VIFPVBQESA-N 1 2 245.269 1.058 20 0 BDADLO Cc1ccc(F)c(C[N@@H+](C)C[C@H](O)CO)c1F ZINC001138116202 990884594 /nfs/dbraw/zinc/88/45/94/990884594.db2.gz ZJMZHWGTYFWGBP-VIFPVBQESA-N 1 2 245.269 1.058 20 0 BDADLO CC/C=C(\F)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841719 990914997 /nfs/dbraw/zinc/91/49/97/990914997.db2.gz PLIZXXSGRJOQSS-JYOAFUTRSA-N 1 2 249.289 1.812 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(O)cc(O)c2)CCCC1=O ZINC001138324519 990917536 /nfs/dbraw/zinc/91/75/36/990917536.db2.gz QUECETNOUJXBKH-SNVBAGLBSA-N 1 2 249.310 1.899 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(O)cc(O)c2)CCCC1=O ZINC001138324519 990917541 /nfs/dbraw/zinc/91/75/41/990917541.db2.gz QUECETNOUJXBKH-SNVBAGLBSA-N 1 2 249.310 1.899 20 0 BDADLO Cc1ccc(NC(=O)NC2C[NH+](C)C2)cc1C ZINC001202830375 990951224 /nfs/dbraw/zinc/95/12/24/990951224.db2.gz OROURUPTQZAFPQ-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO O=C(COC1CC1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001558533761 990958623 /nfs/dbraw/zinc/95/86/23/990958623.db2.gz INRCEFIYUPRJPK-UHFFFAOYSA-N 1 2 249.314 1.084 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C2(C)CC2)[nH+]1 ZINC001558560686 990967911 /nfs/dbraw/zinc/96/79/11/990967911.db2.gz KSNDMKSFRXEORI-UHFFFAOYSA-N 1 2 221.304 1.949 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C2(C)CC2)c[nH+]1 ZINC001558560686 990967919 /nfs/dbraw/zinc/96/79/19/990967919.db2.gz KSNDMKSFRXEORI-UHFFFAOYSA-N 1 2 221.304 1.949 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)C(C)(F)F)[nH+]1 ZINC001558559772 990968748 /nfs/dbraw/zinc/96/87/48/990968748.db2.gz BQIUUFJUMIOJQY-UHFFFAOYSA-N 1 2 231.246 1.805 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)C(C)(F)F)c[nH+]1 ZINC001558559772 990968759 /nfs/dbraw/zinc/96/87/59/990968759.db2.gz BQIUUFJUMIOJQY-UHFFFAOYSA-N 1 2 231.246 1.805 20 0 BDADLO Cc1ccncc1CNc1cc(CO)cc[nH+]1 ZINC001308442617 990996359 /nfs/dbraw/zinc/99/63/59/990996359.db2.gz MOCGQGRNUXDLBV-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)Nc3nc[nH]n3)ccn12 ZINC001558910076 991003132 /nfs/dbraw/zinc/00/31/32/991003132.db2.gz NFCVBZHAFABDEY-UHFFFAOYSA-N 1 2 242.242 1.013 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001138694972 991003569 /nfs/dbraw/zinc/00/35/69/991003569.db2.gz PYNVOQUDJDYXGL-CYBMUJFWSA-N 1 2 247.342 1.734 20 0 BDADLO CNc1ncccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001138694972 991003576 /nfs/dbraw/zinc/00/35/76/991003576.db2.gz PYNVOQUDJDYXGL-CYBMUJFWSA-N 1 2 247.342 1.734 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001138689888 991007637 /nfs/dbraw/zinc/00/76/37/991007637.db2.gz PJQYCGUKWXYDOG-NSHDSACASA-N 1 2 247.342 1.924 20 0 BDADLO CNc1ncccc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001138689888 991007642 /nfs/dbraw/zinc/00/76/42/991007642.db2.gz PJQYCGUKWXYDOG-NSHDSACASA-N 1 2 247.342 1.924 20 0 BDADLO CSc1ncc(C[NH+]2CC=CC2)cn1 ZINC001138702193 991009471 /nfs/dbraw/zinc/00/94/71/991009471.db2.gz YEUGHLBOQHUTIP-UHFFFAOYSA-N 1 2 207.302 1.570 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCC[C@H]1C(C)=O ZINC001138696728 991013074 /nfs/dbraw/zinc/01/30/74/991013074.db2.gz HKNXFOAHCZZDNM-LBPRGKRZSA-N 1 2 233.315 1.677 20 0 BDADLO CNc1ncccc1C[N@H+]1CCC[C@H]1C(C)=O ZINC001138696728 991013080 /nfs/dbraw/zinc/01/30/80/991013080.db2.gz HKNXFOAHCZZDNM-LBPRGKRZSA-N 1 2 233.315 1.677 20 0 BDADLO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nnc(CO)[nH]1 ZINC001308558611 991040044 /nfs/dbraw/zinc/04/00/44/991040044.db2.gz UUMOEPDSTRHABJ-DTWKUNHWSA-N 1 2 238.335 1.211 20 0 BDADLO CC(C)C(C[NH2+]Cc1nnc(CO)[nH]1)C(C)C ZINC001308558677 991042009 /nfs/dbraw/zinc/04/20/09/991042009.db2.gz WITLJPYQHGSJTQ-UHFFFAOYSA-N 1 2 240.351 1.315 20 0 BDADLO Fc1ncccc1C[NH+]1CCSCC1 ZINC001138785646 991044309 /nfs/dbraw/zinc/04/43/09/991044309.db2.gz AUICKNKQDOJLRU-UHFFFAOYSA-N 1 2 212.293 1.770 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2Cc3cccc(F)c3C2)N1 ZINC001202865343 991044150 /nfs/dbraw/zinc/04/41/50/991044150.db2.gz XZMDPRFGWNAOMR-SNVBAGLBSA-N 1 2 234.274 1.420 20 0 BDADLO O=C1CC[C@H](C[N@H+]2Cc3cccc(F)c3C2)N1 ZINC001202865343 991044159 /nfs/dbraw/zinc/04/41/59/991044159.db2.gz XZMDPRFGWNAOMR-SNVBAGLBSA-N 1 2 234.274 1.420 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccnc2F)C[C@@H]1OC ZINC001138783575 991047093 /nfs/dbraw/zinc/04/70/93/991047093.db2.gz UPWQXRRBALETOZ-PHIMTYICSA-N 1 2 240.278 1.066 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccnc2F)C[C@@H]1OC ZINC001138783575 991047107 /nfs/dbraw/zinc/04/71/07/991047107.db2.gz UPWQXRRBALETOZ-PHIMTYICSA-N 1 2 240.278 1.066 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001308599828 991055969 /nfs/dbraw/zinc/05/59/69/991055969.db2.gz HEINXBBGZNWXJV-LBPRGKRZSA-N 1 2 233.315 1.275 20 0 BDADLO Nc1ncccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001308599828 991055979 /nfs/dbraw/zinc/05/59/79/991055979.db2.gz HEINXBBGZNWXJV-LBPRGKRZSA-N 1 2 233.315 1.275 20 0 BDADLO C[C@H]1C[NH+](Cc2cccc3ccnn32)C[C@H](C)O1 ZINC001138804317 991061825 /nfs/dbraw/zinc/06/18/25/991061825.db2.gz GBJKUOFAMHHAGE-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncn(C)c3C2)nn1C ZINC001138831650 991086784 /nfs/dbraw/zinc/08/67/84/991086784.db2.gz QERMJTDDEWBVSD-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncn(C)c3C2)nn1C ZINC001138831650 991086796 /nfs/dbraw/zinc/08/67/96/991086796.db2.gz QERMJTDDEWBVSD-UHFFFAOYSA-N 1 2 245.330 1.020 20 0 BDADLO CC[N@H+](Cc1cnc2ccccc2n1)C1COC1 ZINC001138865903 991092119 /nfs/dbraw/zinc/09/21/19/991092119.db2.gz XKNYRXIPXINWTH-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO CC[N@@H+](Cc1cnc2ccccc2n1)C1COC1 ZINC001138865903 991092129 /nfs/dbraw/zinc/09/21/29/991092129.db2.gz XKNYRXIPXINWTH-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@H](Cc1ccco1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001258193706 991106292 /nfs/dbraw/zinc/10/62/92/991106292.db2.gz ZWLGURBWMHETPL-SNVBAGLBSA-N 1 2 231.299 1.960 20 0 BDADLO C[C@H](Cc1ccco1)[N@H+]1Cc2cnn(C)c2C1 ZINC001258193706 991106298 /nfs/dbraw/zinc/10/62/98/991106298.db2.gz ZWLGURBWMHETPL-SNVBAGLBSA-N 1 2 231.299 1.960 20 0 BDADLO CCC(=O)Oc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001138962555 991113906 /nfs/dbraw/zinc/11/39/06/991113906.db2.gz RDXZKLBRVMEFGS-UHFFFAOYSA-N 1 2 235.283 1.179 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)CCSC)[C@@H](C)O ZINC001258202722 991120616 /nfs/dbraw/zinc/12/06/16/991120616.db2.gz SOQMRQXWRWMMQX-AEJSXWLSSA-N 1 2 249.376 1.030 20 0 BDADLO Cc1ncccc1CNc1cc(CO)cc[nH+]1 ZINC001202893679 991136190 /nfs/dbraw/zinc/13/61/90/991136190.db2.gz WMWVKYNZFVOSON-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO C[C@@]1(C[NH+]2CC(OCC(F)F)C2)CCCCO1 ZINC001308807879 991144655 /nfs/dbraw/zinc/14/46/55/991144655.db2.gz AQXYFRKDFZVMMW-LBPRGKRZSA-N 1 2 249.301 1.912 20 0 BDADLO COc1ccc(C[N@H+](C)CCF)nc1OC ZINC001139108499 991147674 /nfs/dbraw/zinc/14/76/74/991147674.db2.gz UKQBLXUWNQGMQI-UHFFFAOYSA-N 1 2 228.267 1.500 20 0 BDADLO COc1ccc(C[N@@H+](C)CCF)nc1OC ZINC001139108499 991147684 /nfs/dbraw/zinc/14/76/84/991147684.db2.gz UKQBLXUWNQGMQI-UHFFFAOYSA-N 1 2 228.267 1.500 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CCCC(=O)CC1 ZINC001139141266 991163060 /nfs/dbraw/zinc/16/30/60/991163060.db2.gz TUQQYKVCYFTCOX-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CCCC(=O)CC1 ZINC001139141266 991163063 /nfs/dbraw/zinc/16/30/63/991163063.db2.gz TUQQYKVCYFTCOX-UHFFFAOYSA-N 1 2 249.310 1.956 20 0 BDADLO CCOC(=O)C1([NH2+]CC[C@@H](C)O)CCCCC1 ZINC001559612292 991186542 /nfs/dbraw/zinc/18/65/42/991186542.db2.gz GXKBYNZBFNHRSU-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)s2)CCCC1=O ZINC001139226223 991205785 /nfs/dbraw/zinc/20/57/85/991205785.db2.gz WGSRBZLBMHVTAG-MRVPVSSYSA-N 1 2 239.344 1.526 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)s2)CCCC1=O ZINC001139226223 991205800 /nfs/dbraw/zinc/20/58/00/991205800.db2.gz WGSRBZLBMHVTAG-MRVPVSSYSA-N 1 2 239.344 1.526 20 0 BDADLO CCC1(C[N@@H+]2CC(F)(F)CC[C@@H]2CO)COC1 ZINC001202911085 991214675 /nfs/dbraw/zinc/21/46/75/991214675.db2.gz BLWBUKRKEMKIJP-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO CCC1(C[N@H+]2CC(F)(F)CC[C@@H]2CO)COC1 ZINC001202911085 991214683 /nfs/dbraw/zinc/21/46/83/991214683.db2.gz BLWBUKRKEMKIJP-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO CC(C)n1cc(C[NH2+][C@@H](C)c2nncn2C)cn1 ZINC000226243721 991224797 /nfs/dbraw/zinc/22/47/97/991224797.db2.gz UBNHGJLTCXYVKG-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO COc1ncc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001139744341 991350811 /nfs/dbraw/zinc/35/08/11/991350811.db2.gz GTKZIYNERPVATO-SNVBAGLBSA-N 1 2 242.706 1.310 20 0 BDADLO COc1ncc(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001139744341 991350820 /nfs/dbraw/zinc/35/08/20/991350820.db2.gz GTKZIYNERPVATO-SNVBAGLBSA-N 1 2 242.706 1.310 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@](C)(O)C2)s1 ZINC001139808736 991373363 /nfs/dbraw/zinc/37/33/63/991373363.db2.gz DPDUQXJBPQZNCT-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@](C)(O)C2)s1 ZINC001139808736 991373368 /nfs/dbraw/zinc/37/33/68/991373368.db2.gz DPDUQXJBPQZNCT-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001328648649 991393604 /nfs/dbraw/zinc/39/36/04/991393604.db2.gz DOXFECJIZMPERR-ZJUUUORDSA-N 1 2 229.283 1.863 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001328648647 991395057 /nfs/dbraw/zinc/39/50/57/991395057.db2.gz DOXFECJIZMPERR-VHSXEESVSA-N 1 2 229.283 1.863 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C\C2CC2)nc[nH+]1 ZINC001328641027 991395138 /nfs/dbraw/zinc/39/51/38/991395138.db2.gz GPTCZIWBVSUJQH-ZMWSMAPVSA-N 1 2 248.330 1.647 20 0 BDADLO C[C@H](O)CNc1cc(NC/C=C\C2CC2)[nH+]cn1 ZINC001328641027 991395145 /nfs/dbraw/zinc/39/51/45/991395145.db2.gz GPTCZIWBVSUJQH-ZMWSMAPVSA-N 1 2 248.330 1.647 20 0 BDADLO Cc1ccc(C[NH+]2CCN(CCF)CC2)nc1 ZINC001139840305 991399252 /nfs/dbraw/zinc/39/92/52/991399252.db2.gz LMCXFOKNRNSTAU-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccn(C)n2)[nH+]c1C ZINC001560218535 991423392 /nfs/dbraw/zinc/42/33/92/991423392.db2.gz GTUDFMSCLXWJFT-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)Cc1cccnn1 ZINC001139970000 991435368 /nfs/dbraw/zinc/43/53/68/991435368.db2.gz KBSXKPGPUSLINT-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)Cc1cccnn1 ZINC001139970000 991435373 /nfs/dbraw/zinc/43/53/73/991435373.db2.gz KBSXKPGPUSLINT-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2cccc(F)c2)o1 ZINC001258471112 991437758 /nfs/dbraw/zinc/43/77/58/991437758.db2.gz REGZWNFZIOWEIU-UHFFFAOYSA-N 1 2 235.262 1.861 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccnnc1 ZINC001139984118 991460061 /nfs/dbraw/zinc/46/00/61/991460061.db2.gz WBQGRBGQBVKPMO-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccnnc1 ZINC001139984118 991460066 /nfs/dbraw/zinc/46/00/66/991460066.db2.gz WBQGRBGQBVKPMO-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cnn(CC)c2)[nH]1 ZINC001560426044 991471611 /nfs/dbraw/zinc/47/16/11/991471611.db2.gz NTDLCNNGRANQPN-SECBINFHSA-N 1 2 248.334 1.434 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cnn(CC)c2)[nH]1 ZINC001560426045 991472595 /nfs/dbraw/zinc/47/25/95/991472595.db2.gz NTDLCNNGRANQPN-VIFPVBQESA-N 1 2 248.334 1.434 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cc2nccnc2N)C1 ZINC001140008251 991473801 /nfs/dbraw/zinc/47/38/01/991473801.db2.gz OLPXNRWIVTXDAZ-NSHDSACASA-N 1 2 224.283 1.383 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cc2nccnc2N)C1 ZINC001140008251 991473805 /nfs/dbraw/zinc/47/38/05/991473805.db2.gz OLPXNRWIVTXDAZ-NSHDSACASA-N 1 2 224.283 1.383 20 0 BDADLO Nc1nccnc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001140007640 991478620 /nfs/dbraw/zinc/47/86/20/991478620.db2.gz DCFKUZQQMINUFM-SECBINFHSA-N 1 2 224.283 1.383 20 0 BDADLO Nc1nccnc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001140007640 991478625 /nfs/dbraw/zinc/47/86/25/991478625.db2.gz DCFKUZQQMINUFM-SECBINFHSA-N 1 2 224.283 1.383 20 0 BDADLO CCc1ncc(C[NH2+][C@H]2CCn3ccnc32)cn1 ZINC001560481674 991483688 /nfs/dbraw/zinc/48/36/88/991483688.db2.gz QMOYRTDNWCBEIT-NSHDSACASA-N 1 2 243.314 1.470 20 0 BDADLO CNc1nccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001140039646 991492870 /nfs/dbraw/zinc/49/28/70/991492870.db2.gz IIEXXOWXRCLZHA-SNVBAGLBSA-N 1 2 248.330 1.319 20 0 BDADLO CNc1nccc(C[N@H+]2CCCC(=O)[C@H](C)C2)n1 ZINC001140039646 991492874 /nfs/dbraw/zinc/49/28/74/991492874.db2.gz IIEXXOWXRCLZHA-SNVBAGLBSA-N 1 2 248.330 1.319 20 0 BDADLO CC[C@]1(NC(=O)CCc2[nH]cc[nH+]2)CCOC1 ZINC001140058597 991510080 /nfs/dbraw/zinc/51/00/80/991510080.db2.gz SUGBURYEOBMHIU-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO COC[C@H]([NH2+]CC(=O)OC(C)C)C(C)C ZINC000083399770 991520696 /nfs/dbraw/zinc/52/06/96/991520696.db2.gz XOKVVUALSZVZGJ-JTQLQIEISA-N 1 2 217.309 1.199 20 0 BDADLO CCn1ccc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC001560692104 991556737 /nfs/dbraw/zinc/55/67/37/991556737.db2.gz QNDWYRPENLZLGL-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO CCn1ccc(C[N@H+]2CCSC[C@H]2C)n1 ZINC001560692104 991556746 /nfs/dbraw/zinc/55/67/46/991556746.db2.gz QNDWYRPENLZLGL-SNVBAGLBSA-N 1 2 225.361 1.840 20 0 BDADLO Oc1cnccc1C[NH+]1CCN(C2CC2)CC1 ZINC001140274706 991579810 /nfs/dbraw/zinc/57/98/10/991579810.db2.gz DVGOLZLWULPWMG-UHFFFAOYSA-N 1 2 233.315 1.067 20 0 BDADLO c1ccc2c(c1)C[N@H+](Cc1ccncn1)CCO2 ZINC001140347593 991618914 /nfs/dbraw/zinc/61/89/14/991618914.db2.gz OYJDMKBXKQLIPU-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO c1ccc2c(c1)C[N@@H+](Cc1ccncn1)CCO2 ZINC001140347593 991618916 /nfs/dbraw/zinc/61/89/16/991618916.db2.gz OYJDMKBXKQLIPU-UHFFFAOYSA-N 1 2 241.294 1.871 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3n[nH]cc3c2)CCC1=O ZINC001140385181 991629179 /nfs/dbraw/zinc/62/91/79/991629179.db2.gz VXIJUBKWLSTHFW-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3n[nH]cc3c2)CCC1=O ZINC001140385181 991629181 /nfs/dbraw/zinc/62/91/81/991629181.db2.gz VXIJUBKWLSTHFW-JTQLQIEISA-N 1 2 243.310 1.974 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc2nonc21 ZINC001140445666 991640264 /nfs/dbraw/zinc/64/02/64/991640264.db2.gz LHGQRXPWDXFZLG-UHFFFAOYSA-N 1 2 243.226 1.127 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1CC2(C1)CCCC2 ZINC001140469453 991647211 /nfs/dbraw/zinc/64/72/11/991647211.db2.gz PRLLTYKIGQLCPP-UHFFFAOYSA-N 1 2 235.287 1.264 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318491093 991665514 /nfs/dbraw/zinc/66/55/14/991665514.db2.gz NVYHFOIAVIDDNK-WDEREUQCSA-N 1 2 221.304 1.845 20 0 BDADLO CNc1ccccc1C[NH2+][C@H](CO)c1ncc[nH]1 ZINC001474724479 991677346 /nfs/dbraw/zinc/67/73/46/991677346.db2.gz ROTULVXSRQRKFT-GFCCVEGCSA-N 1 2 246.314 1.275 20 0 BDADLO C[C@@H](C(=O)N1Cc2ccccc2C1)n1cc[nH+]c1 ZINC001318567027 991681026 /nfs/dbraw/zinc/68/10/26/991681026.db2.gz GGFSPZDEYYJZSK-NSHDSACASA-N 1 2 241.294 1.987 20 0 BDADLO CSCC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318609668 991686310 /nfs/dbraw/zinc/68/63/10/991686310.db2.gz BXKZRDYTLQCQKK-NXEZZACHSA-N 1 2 241.360 1.702 20 0 BDADLO COC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001318689256 991697495 /nfs/dbraw/zinc/69/74/95/991697495.db2.gz PUADFQFIDQVPKI-WDEREUQCSA-N 1 2 239.319 1.231 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC001258811431 991822569 /nfs/dbraw/zinc/82/25/69/991822569.db2.gz YONWENOJEWJYQV-ZRUFSTJUSA-N 1 2 229.320 1.077 20 0 BDADLO Cn1cc(C[N@@H+]2CC(C)(C)C2(C)C)nn1 ZINC001319793639 991978510 /nfs/dbraw/zinc/97/85/10/991978510.db2.gz WZUADEFKFDVQME-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO Cn1cc(C[N@H+]2CC(C)(C)C2(C)C)nn1 ZINC001319793639 991978527 /nfs/dbraw/zinc/97/85/27/991978527.db2.gz WZUADEFKFDVQME-UHFFFAOYSA-N 1 2 208.309 1.436 20 0 BDADLO O=S(=O)(Nc1cc[nH+]cc1)C1CCCCC1 ZINC001259808140 991991958 /nfs/dbraw/zinc/99/19/58/991991958.db2.gz YCUNWZVRLUWIRZ-UHFFFAOYSA-N 1 2 240.328 1.578 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)n[nH]1 ZINC001261245770 992214769 /nfs/dbraw/zinc/21/47/69/992214769.db2.gz PAMNLGFIYSYXRI-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)n[nH]1 ZINC001261245770 992214778 /nfs/dbraw/zinc/21/47/78/992214778.db2.gz PAMNLGFIYSYXRI-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO CCOCC(C)(C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001261249916 992219754 /nfs/dbraw/zinc/21/97/54/992219754.db2.gz AZIJPCRBWNLAQX-JTQLQIEISA-N 1 2 239.319 1.375 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cc(C)[nH]n2)CC[C@@H]1C ZINC001320629897 992280321 /nfs/dbraw/zinc/28/03/21/992280321.db2.gz KFTMLQQAMJQKTP-CABZTGNLSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cc(C)[nH]n2)CC[C@@H]1C ZINC001320629897 992280333 /nfs/dbraw/zinc/28/03/33/992280333.db2.gz KFTMLQQAMJQKTP-CABZTGNLSA-N 1 2 223.320 1.575 20 0 BDADLO CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001569347058 992361691 /nfs/dbraw/zinc/36/16/91/992361691.db2.gz SXQFXPDUFLOQQI-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001569347058 992361703 /nfs/dbraw/zinc/36/17/03/992361703.db2.gz SXQFXPDUFLOQQI-SNVBAGLBSA-N 1 2 230.327 1.583 20 0 BDADLO CC(=O)Nc1ccc(NCc2c[nH+]cn2C)nc1 ZINC001320912954 992398013 /nfs/dbraw/zinc/39/80/13/992398013.db2.gz SMNXJSZWHPFXMP-UHFFFAOYSA-N 1 2 245.286 1.386 20 0 BDADLO Cc1cc(NC(=O)NOC(C)(C)C)c(C)c[nH+]1 ZINC001321242301 992501718 /nfs/dbraw/zinc/50/17/18/992501718.db2.gz CNURGLOCBPZIJM-UHFFFAOYSA-N 1 2 237.303 1.972 20 0 BDADLO O[C@H]1C[N@H+](Cc2scnc2Cl)CC12CC2 ZINC001262015018 992605996 /nfs/dbraw/zinc/60/59/96/992605996.db2.gz YTEHDWZZTVQFNL-QMMMGPOBSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@H]1C[N@@H+](Cc2scnc2Cl)CC12CC2 ZINC001262015018 992606002 /nfs/dbraw/zinc/60/60/02/992606002.db2.gz YTEHDWZZTVQFNL-QMMMGPOBSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@@H]1C[N@H+](Cc2scnc2Cl)CC12CC2 ZINC001262015017 992606598 /nfs/dbraw/zinc/60/65/98/992606598.db2.gz YTEHDWZZTVQFNL-MRVPVSSYSA-N 1 2 244.747 1.753 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2scnc2Cl)CC12CC2 ZINC001262015017 992606599 /nfs/dbraw/zinc/60/65/99/992606599.db2.gz YTEHDWZZTVQFNL-MRVPVSSYSA-N 1 2 244.747 1.753 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC(C(=O)[O-])C1 ZINC001573407448 992612605 /nfs/dbraw/zinc/61/26/05/992612605.db2.gz SYVQAXQGQIFBRC-VQXHTEKXSA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC(C(=O)[O-])C1 ZINC001573407448 992612607 /nfs/dbraw/zinc/61/26/07/992612607.db2.gz SYVQAXQGQIFBRC-VQXHTEKXSA-N 1 2 240.347 1.312 20 0 BDADLO Cn1c[nH+]cc1Cn1cc(C(=O)C(C)(C)C)nn1 ZINC001262025991 992614790 /nfs/dbraw/zinc/61/47/90/992614790.db2.gz BXVXIZOVXCMTRY-UHFFFAOYSA-N 1 2 247.302 1.289 20 0 BDADLO CCC1(C(=O)N=S2(=O)CC[NH2+]CC2)CCC1 ZINC001573709814 992683105 /nfs/dbraw/zinc/68/31/05/992683105.db2.gz QFMHXKNOVLUFAK-UHFFFAOYSA-N 1 2 244.360 1.165 20 0 BDADLO CCC/C(C)=C/C(=O)N=S1(=O)CC[NH2+]CC1 ZINC001573727130 992685682 /nfs/dbraw/zinc/68/56/82/992685682.db2.gz AGTJIPSCLCGSCY-MDZDMXLPSA-N 1 2 244.360 1.331 20 0 BDADLO CCc1ccc(OC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC001573832010 992731289 /nfs/dbraw/zinc/73/12/89/992731289.db2.gz GOHWGRULQKGWDM-CHWSQXEVSA-N 1 2 249.310 1.531 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ncco1 ZINC001262202371 992794802 /nfs/dbraw/zinc/79/48/02/992794802.db2.gz SNTZNWBGWKGISU-RQJHMYQMSA-N 1 2 238.209 1.639 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCCC(F)F ZINC001262206150 992801408 /nfs/dbraw/zinc/80/14/08/992801408.db2.gz RJAVRFUIHBTCLZ-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCCC(F)F ZINC001262206150 992801412 /nfs/dbraw/zinc/80/14/12/992801412.db2.gz RJAVRFUIHBTCLZ-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1CCn1cc[nH+]c1 ZINC001574265990 992831176 /nfs/dbraw/zinc/83/11/76/992831176.db2.gz HYAOSMDLHNWKOH-GHMZBOCLSA-N 1 2 237.303 1.211 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCn1cc[nH+]c1 ZINC001574265990 992831179 /nfs/dbraw/zinc/83/11/79/992831179.db2.gz HYAOSMDLHNWKOH-GHMZBOCLSA-N 1 2 237.303 1.211 20 0 BDADLO O=C(CCCC1CC1)N=S1(=O)CC[NH2+]CC1 ZINC001574293418 992846364 /nfs/dbraw/zinc/84/63/64/992846364.db2.gz IGFUKDNHGXVFRQ-UHFFFAOYSA-N 1 2 244.360 1.165 20 0 BDADLO CCc1ccc(N(C)Cc2cn(C)nn2)[nH+]c1 ZINC001262702095 993044379 /nfs/dbraw/zinc/04/43/79/993044379.db2.gz INLNCPQVOGACKI-UHFFFAOYSA-N 1 2 231.303 1.409 20 0 BDADLO CN(Cc1ccn(C)n1)c1nccn2c[nH+]cc12 ZINC001262704684 993048261 /nfs/dbraw/zinc/04/82/61/993048261.db2.gz GDCFAWCRIOMKEW-UHFFFAOYSA-N 1 2 242.286 1.099 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCOC1 ZINC001262805705 993069274 /nfs/dbraw/zinc/06/92/74/993069274.db2.gz ZXAMCVLPVYDLMH-JTQLQIEISA-N 1 2 220.272 1.095 20 0 BDADLO C[C@@H]([NH2+]Cc1cccn1C(F)F)c1cnn[nH]1 ZINC001575698132 993099909 /nfs/dbraw/zinc/09/99/09/993099909.db2.gz VIOOAHDMJUWWBB-SSDOTTSWSA-N 1 2 241.245 1.852 20 0 BDADLO Cc1ccnc(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000379019805 993214139 /nfs/dbraw/zinc/21/41/39/993214139.db2.gz SBSPLRNPZAXAKW-LBPRGKRZSA-N 1 2 228.299 1.821 20 0 BDADLO O=C1CCCN1C1CC[NH+](Cc2ncco2)CC1 ZINC000585567708 993276683 /nfs/dbraw/zinc/27/66/83/993276683.db2.gz MPDWMQXVMDHQOA-UHFFFAOYSA-N 1 2 249.314 1.261 20 0 BDADLO COc1cc2[nH+]c(CCO)[nH]c2cc1Cl ZINC000586894418 993415389 /nfs/dbraw/zinc/41/53/89/993415389.db2.gz DMLDIQXNMCMZCI-UHFFFAOYSA-N 1 2 226.663 1.760 20 0 BDADLO COCC1(O)C[NH+](CCCC(F)(F)F)C1 ZINC000383943845 993530578 /nfs/dbraw/zinc/53/05/78/993530578.db2.gz ACEFMIOMGLHFAF-UHFFFAOYSA-N 1 2 227.226 1.022 20 0 BDADLO C[C@H](C(=O)NCCc1[nH+]ccn1C)C(C)(C)C ZINC001263918757 993599190 /nfs/dbraw/zinc/59/91/90/993599190.db2.gz SLFUHEVHYLYHJB-SNVBAGLBSA-N 1 2 237.347 1.761 20 0 BDADLO Cc1nnc(C[NH2+]Cc2c[nH]nc2C)s1 ZINC000391857276 993820520 /nfs/dbraw/zinc/82/05/20/993820520.db2.gz UBPFQDSGADWOAJ-UHFFFAOYSA-N 1 2 223.305 1.168 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1cnccn1 ZINC000700476988 993839255 /nfs/dbraw/zinc/83/92/55/993839255.db2.gz VUXIEJFKARSHSR-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](CO)C(C)(C)C ZINC000393950944 994021122 /nfs/dbraw/zinc/02/11/22/994021122.db2.gz PHVAGCGECUSVLF-JTQLQIEISA-N 1 2 224.304 1.909 20 0 BDADLO CC1CC(CNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724718383 994069461 /nfs/dbraw/zinc/06/94/61/994069461.db2.gz LRUJTVVDULVFPF-KAVNDROISA-N 1 2 220.263 1.131 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(CF)cc1 ZINC001288039800 994456967 /nfs/dbraw/zinc/45/69/67/994456967.db2.gz BHOVBULIKKNJLP-UHFFFAOYSA-N 1 2 247.273 1.820 20 0 BDADLO C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593248169 994470145 /nfs/dbraw/zinc/47/01/45/994470145.db2.gz JULYBEYSVHCIQO-AXFHLTTASA-N 1 2 240.347 1.170 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@H]4COC[C@@H]4C3)c12 ZINC001333776970 994516513 /nfs/dbraw/zinc/51/65/13/994516513.db2.gz MCQDJDVUOARJEJ-QWRGUYRKSA-N 1 2 244.298 1.202 20 0 BDADLO COCn1ncc(C)c1C[NH+]1CC(C(F)F)C1 ZINC001333832786 994531076 /nfs/dbraw/zinc/53/10/76/994531076.db2.gz MZQPEZPFNASDCB-UHFFFAOYSA-N 1 2 245.273 1.492 20 0 BDADLO CC[C@@H](O)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001294623549 994707241 /nfs/dbraw/zinc/70/72/41/994707241.db2.gz RMMXDZQMMLXPRS-SNVBAGLBSA-N 1 2 247.298 1.225 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC(=O)c1cccs1 ZINC001295125252 994736033 /nfs/dbraw/zinc/73/60/33/994736033.db2.gz IDZNXJFUSALNFD-UHFFFAOYSA-N 1 2 249.295 1.013 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001297980461 994893651 /nfs/dbraw/zinc/89/36/51/994893651.db2.gz LNHFXYODYBRWEP-RYUDHWBXSA-N 1 2 249.358 1.761 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc2ocnc21 ZINC001302293196 995114808 /nfs/dbraw/zinc/11/48/08/995114808.db2.gz FUDRBUHLNCZLOD-JTQLQIEISA-N 1 2 245.282 1.861 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc2ocnc21 ZINC001302293196 995114813 /nfs/dbraw/zinc/11/48/13/995114813.db2.gz FUDRBUHLNCZLOD-JTQLQIEISA-N 1 2 245.282 1.861 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccsn1 ZINC001302925223 995132008 /nfs/dbraw/zinc/13/20/08/995132008.db2.gz ZARBZLYCVLBBTA-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccsn1 ZINC001302925223 995132014 /nfs/dbraw/zinc/13/20/14/995132014.db2.gz ZARBZLYCVLBBTA-QMMMGPOBSA-N 1 2 225.317 1.566 20 0 BDADLO Nc1cc(N2CCC[C@@H]2[C@@H]2CCCOC2)[nH+]cn1 ZINC001337202884 995152166 /nfs/dbraw/zinc/15/21/66/995152166.db2.gz BIBRYAKKDADIAR-GHMZBOCLSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC001307648205 995420961 /nfs/dbraw/zinc/42/09/61/995420961.db2.gz LHTXMHYYOQSTGK-HTRCEHHLSA-N 1 2 230.262 1.761 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)[nH]1 ZINC001307648205 995420954 /nfs/dbraw/zinc/42/09/54/995420954.db2.gz LHTXMHYYOQSTGK-HTRCEHHLSA-N 1 2 230.262 1.761 20 0 BDADLO C[N@H+](CCc1cncs1)Cc1ncccn1 ZINC001308037218 995530570 /nfs/dbraw/zinc/53/05/70/995530570.db2.gz ZHBRFVQZXAPFQC-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1cncs1)Cc1ncccn1 ZINC001308037218 995530581 /nfs/dbraw/zinc/53/05/81/995530581.db2.gz ZHBRFVQZXAPFQC-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[C@H]1CC[N@H+](CC[NH2+]C2CC(CC(=O)[O-])C2)C1 ZINC001594419541 999567011 /nfs/dbraw/zinc/56/70/11/999567011.db2.gz JDKONLOHOSDUPB-UNXYVOJBSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@H]1CC[N@@H+](CC[NH2+]C2CC(CC(=O)[O-])C2)C1 ZINC001594419541 999567014 /nfs/dbraw/zinc/56/70/14/999567014.db2.gz JDKONLOHOSDUPB-UNXYVOJBSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@@H](O)[C@@H](C)n1c2ccccc2[nH+]c1NCCO ZINC000268016277 538916306 /nfs/dbraw/zinc/91/63/06/538916306.db2.gz CIBVSJOFGNDFEN-NXEZZACHSA-N 1 2 249.314 1.382 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCO1 ZINC000155818687 398142649 /nfs/dbraw/zinc/14/26/49/398142649.db2.gz LEDLPKBPNBYCDZ-SNAWJCMRSA-N 1 2 221.260 1.080 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320188 398143377 /nfs/dbraw/zinc/14/33/77/398143377.db2.gz NQSGQSZXEARSOA-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320188 398143380 /nfs/dbraw/zinc/14/33/80/398143380.db2.gz NQSGQSZXEARSOA-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CCC(CC)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000037957183 168331661 /nfs/dbraw/zinc/33/16/61/168331661.db2.gz GKOAYKJNXQRLRT-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO CCC(CC)([NH2+]CCOCC(C)C)C(=O)OC ZINC000337328572 168331707 /nfs/dbraw/zinc/33/17/07/168331707.db2.gz YWDKIHMJTXWBRH-UHFFFAOYSA-N 1 2 245.363 1.980 20 0 BDADLO CCC(CC)(C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000310442227 168327249 /nfs/dbraw/zinc/32/72/49/168327249.db2.gz WBBKNLMBOLLUHN-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccco1 ZINC000268761887 538917993 /nfs/dbraw/zinc/91/79/93/538917993.db2.gz MBLWUTJTWSXZSO-JTQLQIEISA-N 1 2 233.271 1.224 20 0 BDADLO CCC(CC)([NH2+]C[C@H](O)CSC)C(=O)OC ZINC000336738796 168331739 /nfs/dbraw/zinc/33/17/39/168331739.db2.gz OPHFHFQBKDZWQF-VIFPVBQESA-N 1 2 249.376 1.032 20 0 BDADLO CCC(CC)(CO)Nc1cc[nH+]c(C)n1 ZINC000054936576 168329869 /nfs/dbraw/zinc/32/98/69/168329869.db2.gz JQSNMMWQDIWQPK-UHFFFAOYSA-N 1 2 209.293 1.748 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000649866992 398148175 /nfs/dbraw/zinc/14/81/75/398148175.db2.gz BPGTZRQPDSJTSX-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000649866992 398148179 /nfs/dbraw/zinc/14/81/79/398148179.db2.gz BPGTZRQPDSJTSX-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cccnc1)C(C)C ZINC000063222279 349508625 /nfs/dbraw/zinc/50/86/25/349508625.db2.gz XRSZYUZCEBTHBI-LBPRGKRZSA-N 1 2 236.315 1.411 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)C(F)F ZINC000389925184 398149336 /nfs/dbraw/zinc/14/93/36/398149336.db2.gz VLJRKINYAOGVGD-LURJTMIESA-N 1 2 239.216 1.891 20 0 BDADLO CCOc1nnc(C[N@H+](C)[C@H](C)CCO)s1 ZINC000649867459 398150248 /nfs/dbraw/zinc/15/02/48/398150248.db2.gz JTPVCTJXPMQNST-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)[C@H](C)CCO)s1 ZINC000649867459 398150251 /nfs/dbraw/zinc/15/02/51/398150251.db2.gz JTPVCTJXPMQNST-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)no1 ZINC000291619725 178002593 /nfs/dbraw/zinc/00/25/93/178002593.db2.gz CSZHBVNBXCCGND-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](n3cccn3)C2)no1 ZINC000291619725 178002595 /nfs/dbraw/zinc/00/25/95/178002595.db2.gz CSZHBVNBXCCGND-LBPRGKRZSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ncn1 ZINC000292222389 178005465 /nfs/dbraw/zinc/00/54/65/178005465.db2.gz QVPPSZYFBAWLKX-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ncn1 ZINC000292222389 178005468 /nfs/dbraw/zinc/00/54/68/178005468.db2.gz QVPPSZYFBAWLKX-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cs1 ZINC000335550905 178005979 /nfs/dbraw/zinc/00/59/79/178005979.db2.gz HKZQBHKMRSIFCS-BXKDBHETSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cs1 ZINC000335550905 178005981 /nfs/dbraw/zinc/00/59/81/178005981.db2.gz HKZQBHKMRSIFCS-BXKDBHETSA-N 1 2 241.356 1.638 20 0 BDADLO FC(F)(F)[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000677983986 488170056 /nfs/dbraw/zinc/17/00/56/488170056.db2.gz FSDCEIWMNZXXLD-VIFPVBQESA-N 1 2 249.236 1.146 20 0 BDADLO Cc1cc(C[NH2+]Cc2[nH]ncc2C)n(C)n1 ZINC000336741853 178028865 /nfs/dbraw/zinc/02/88/65/178028865.db2.gz RLRNIMBUNFSAAN-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cc1cc(C[NH2+]Cc2n[nH]cc2C)n(C)n1 ZINC000336741853 178028866 /nfs/dbraw/zinc/02/88/66/178028866.db2.gz RLRNIMBUNFSAAN-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc[nH]2)c(C)s1 ZINC000049686923 178028894 /nfs/dbraw/zinc/02/88/94/178028894.db2.gz OYZRGWAZQXMHNA-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1cc(C[NH2+]Cc2cscn2)on1 ZINC000044987430 178028915 /nfs/dbraw/zinc/02/89/15/178028915.db2.gz BPDYMHKHTDIGAH-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccccn2)nn1C ZINC000340779257 178031834 /nfs/dbraw/zinc/03/18/34/178031834.db2.gz QVKAMBXLKUALMR-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC(C)(C)C ZINC000396574729 262806927 /nfs/dbraw/zinc/80/69/27/262806927.db2.gz GZLRNCCGSUNTHK-UWVGGRQHSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)n(C)n2)on1 ZINC000282042242 178038436 /nfs/dbraw/zinc/03/84/36/178038436.db2.gz GAVWPOMWHUNNAF-SNVBAGLBSA-N 1 2 234.303 1.876 20 0 BDADLO C[C@H]([NH2+]C1COCCOC1)c1cscn1 ZINC000380076325 398183403 /nfs/dbraw/zinc/18/34/03/398183403.db2.gz FLNQYPNNIBMMFA-QMMMGPOBSA-N 1 2 228.317 1.209 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649907623 398180847 /nfs/dbraw/zinc/18/08/47/398180847.db2.gz WIKQMDIDRUWYRE-JTQLQIEISA-N 1 2 242.273 1.598 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000649907623 398180852 /nfs/dbraw/zinc/18/08/52/398180852.db2.gz WIKQMDIDRUWYRE-JTQLQIEISA-N 1 2 242.273 1.598 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)CCO1 ZINC000175084043 365527506 /nfs/dbraw/zinc/52/75/06/365527506.db2.gz NZBKEZDPJKUDOU-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)CCO1 ZINC000175084043 365527512 /nfs/dbraw/zinc/52/75/12/365527512.db2.gz NZBKEZDPJKUDOU-VXGBXAGGSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(N2CCCSCC2)nc[nH+]1 ZINC000301244976 178114875 /nfs/dbraw/zinc/11/48/75/178114875.db2.gz KWPUHFBYTVPVAW-UHFFFAOYSA-N 1 2 209.318 1.728 20 0 BDADLO Cc1cc(N(C)CC(=O)NC(C)(C)C)nc[nH+]1 ZINC000301244019 178096541 /nfs/dbraw/zinc/09/65/41/178096541.db2.gz NINSZLWUNWZZLX-UHFFFAOYSA-N 1 2 236.319 1.136 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000649943023 398193149 /nfs/dbraw/zinc/19/31/49/398193149.db2.gz REENQEPGBQMCKP-OUAUKWLOSA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000649943023 398193154 /nfs/dbraw/zinc/19/31/54/398193154.db2.gz REENQEPGBQMCKP-OUAUKWLOSA-N 1 2 230.327 1.724 20 0 BDADLO Cc1cc(N(C)CC2(CO)CC2)nc(C2CC2)[nH+]1 ZINC000188466260 178097579 /nfs/dbraw/zinc/09/75/79/178097579.db2.gz XTKFAQXXXHWTCC-UHFFFAOYSA-N 1 2 247.342 1.871 20 0 BDADLO C[C@H]1OCCN(c2cc(CO)cc[nH+]2)[C@@H]1C ZINC000380379058 398194616 /nfs/dbraw/zinc/19/46/16/398194616.db2.gz MGIBQCYASXJXHJ-NXEZZACHSA-N 1 2 222.288 1.188 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)ccc1F ZINC000398297859 398195075 /nfs/dbraw/zinc/19/50/75/398195075.db2.gz KSJQHAJPVHDSQT-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649952269 398195138 /nfs/dbraw/zinc/19/51/38/398195138.db2.gz WIGODBSXEFGINS-GARJFASQSA-N 1 2 239.319 1.374 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649952268 398195436 /nfs/dbraw/zinc/19/54/36/398195436.db2.gz WIGODBSXEFGINS-DCAQKATOSA-N 1 2 239.319 1.374 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)s1 ZINC000649951035 398195457 /nfs/dbraw/zinc/19/54/57/398195457.db2.gz DMEJTDGHATUVHC-RKDXNWHRSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)s1 ZINC000649951035 398195460 /nfs/dbraw/zinc/19/54/60/398195460.db2.gz DMEJTDGHATUVHC-RKDXNWHRSA-N 1 2 241.360 1.446 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000649393195 398198453 /nfs/dbraw/zinc/19/84/53/398198453.db2.gz QBIZZNIYWQTHAK-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCC(=O)CCC[N@H+]1CCc2cn[nH]c2C1 ZINC000649393195 398198454 /nfs/dbraw/zinc/19/84/54/398198454.db2.gz QBIZZNIYWQTHAK-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000649393195 398198455 /nfs/dbraw/zinc/19/84/55/398198455.db2.gz QBIZZNIYWQTHAK-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO CCC(=O)CCC[N@H+]1CCc2c[nH]nc2C1 ZINC000649393195 398198456 /nfs/dbraw/zinc/19/84/56/398198456.db2.gz QBIZZNIYWQTHAK-UHFFFAOYSA-N 1 2 221.304 1.527 20 0 BDADLO Cc1cc(N2CCC[C@H]2c2nncn2C)nc[nH+]1 ZINC000301949541 178116208 /nfs/dbraw/zinc/11/62/08/178116208.db2.gz IHVSOASZSBESQS-JTQLQIEISA-N 1 2 244.302 1.255 20 0 BDADLO Cc1cc(N2CCNC(=O)CC2)nc(C(C)C)[nH+]1 ZINC000301081918 178116515 /nfs/dbraw/zinc/11/65/15/178116515.db2.gz JOPYFVJKQQWPPJ-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO Cc1cc(N2CCC[C@H](CO)CC2)nc[nH+]1 ZINC000338827592 178116846 /nfs/dbraw/zinc/11/68/46/178116846.db2.gz GYAJXGYPYRKHIF-NSHDSACASA-N 1 2 221.304 1.384 20 0 BDADLO Cc1nc(N(C)C)nc(NC2CCCC2)[nH+]1 ZINC000309538090 136218999 /nfs/dbraw/zinc/21/89/99/136218999.db2.gz FKCLDVVIKURGSW-UHFFFAOYSA-N 1 2 221.308 1.601 20 0 BDADLO Cc1nc(NC2CCCC2)nc(N(C)C)[nH+]1 ZINC000309538090 136219000 /nfs/dbraw/zinc/21/90/00/136219000.db2.gz FKCLDVVIKURGSW-UHFFFAOYSA-N 1 2 221.308 1.601 20 0 BDADLO Cc1cc(N2CC[C@H](CO)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000362664090 178119329 /nfs/dbraw/zinc/11/93/29/178119329.db2.gz LZAKGJMQLTXORG-ZYHUDNBSSA-N 1 2 247.342 1.870 20 0 BDADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000649409824 398209406 /nfs/dbraw/zinc/20/94/06/398209406.db2.gz CEQOZOGNMXIECR-MRVPVSSYSA-N 1 2 228.299 1.675 20 0 BDADLO Cc1cc(F)ccc1C[NH2+]Cc1ncn(C)n1 ZINC000092851253 398206532 /nfs/dbraw/zinc/20/65/32/398206532.db2.gz MJVWWCGNNDRQAX-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cc1cc(NC(=O)NCC2(O)CCC2)cc[nH+]1 ZINC000305751170 178139020 /nfs/dbraw/zinc/13/90/20/178139020.db2.gz ZDENHVPLLNHVIL-UHFFFAOYSA-N 1 2 235.287 1.427 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2CC[C@@H](CO)C2)cc[nH+]1 ZINC000649407368 398207973 /nfs/dbraw/zinc/20/79/73/398207973.db2.gz OZOOMGRGNMQJPY-MNOVXSKESA-N 1 2 249.358 1.769 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(F)F ZINC000163093051 538926293 /nfs/dbraw/zinc/92/62/93/538926293.db2.gz LKMUMMQXUAMLTI-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(F)F ZINC000163093051 538926294 /nfs/dbraw/zinc/92/62/94/538926294.db2.gz LKMUMMQXUAMLTI-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H](O)C(C)(C)C2)cc[nH+]1 ZINC000279557483 178137964 /nfs/dbraw/zinc/13/79/64/178137964.db2.gz NCCDVVQTGLEHFM-LLVKDONJSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CC34CC4)ccn12 ZINC000576291773 365555367 /nfs/dbraw/zinc/55/53/67/365555367.db2.gz RUEOJROXBZCCMM-NSHDSACASA-N 1 2 241.294 1.925 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CC[C@H](O)C2)cc[nH+]1 ZINC000189824816 178140821 /nfs/dbraw/zinc/14/08/21/178140821.db2.gz LCCPDYPLVAAKIY-JQWIXIFHSA-N 1 2 249.314 1.673 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000297757429 178141936 /nfs/dbraw/zinc/14/19/36/178141936.db2.gz LYTPXPSOSXEZDZ-AOOOYVTPSA-N 1 2 221.260 1.035 20 0 BDADLO C[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](F)C1)S(C)(=O)=O ZINC000649416337 398216076 /nfs/dbraw/zinc/21/60/76/398216076.db2.gz NBBNSHISNLCSFD-BBBLOLIVSA-N 1 2 237.340 1.099 20 0 BDADLO C[C@H](C[N@H+]1CC[C@@H](C)[C@@H](F)C1)S(C)(=O)=O ZINC000649416337 398216077 /nfs/dbraw/zinc/21/60/77/398216077.db2.gz NBBNSHISNLCSFD-BBBLOLIVSA-N 1 2 237.340 1.099 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCC2)on1 ZINC000011048773 178147097 /nfs/dbraw/zinc/14/70/97/178147097.db2.gz VLTYSKDFECYQSU-JTQLQIEISA-N 1 2 237.303 1.796 20 0 BDADLO Cc1cc(NC[C@@H](O)COCC(C)C)nc[nH+]1 ZINC000301223817 178164820 /nfs/dbraw/zinc/16/48/20/178164820.db2.gz DQGSFUAYCVFQSN-LLVKDONJSA-N 1 2 239.319 1.230 20 0 BDADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(=O)[nH]1 ZINC000069533514 178150327 /nfs/dbraw/zinc/15/03/27/178150327.db2.gz CSUUTERHWPJPMT-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO Cc1cc(NCCC2(O)CCC2)nc[nH+]1 ZINC000309095929 178158755 /nfs/dbraw/zinc/15/87/55/178158755.db2.gz DUSSFWUUUBVDFA-UHFFFAOYSA-N 1 2 207.277 1.502 20 0 BDADLO Cc1cc(NCCOc2cccnc2)nc[nH+]1 ZINC000301292080 178161484 /nfs/dbraw/zinc/16/14/84/178161484.db2.gz QOKMFKQZFOQFPT-UHFFFAOYSA-N 1 2 230.271 1.671 20 0 BDADLO Cc1cc(NCCc2nnc[nH]2)nc(C2CC2)[nH+]1 ZINC000268608987 178163630 /nfs/dbraw/zinc/16/36/30/178163630.db2.gz LUOKQLQDEGQYNZ-UHFFFAOYSA-N 1 2 244.302 1.435 20 0 BDADLO Cc1cc(NCCc2nc[nH]n2)nc(C2CC2)[nH+]1 ZINC000268608987 178163631 /nfs/dbraw/zinc/16/36/31/178163631.db2.gz LUOKQLQDEGQYNZ-UHFFFAOYSA-N 1 2 244.302 1.435 20 0 BDADLO CC[C@@H](CCO)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000447046136 201704617 /nfs/dbraw/zinc/70/46/17/201704617.db2.gz ADMXMVSFJADPEB-JTQLQIEISA-N 1 2 248.330 1.509 20 0 BDADLO Cc1cc(NC[C@H](O)CC(C)C)nc[nH+]1 ZINC000225732136 178169146 /nfs/dbraw/zinc/16/91/46/178169146.db2.gz ZQOVUSSXRFZCIQ-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1cc(NC[C@@]2(O)CCSC2)nc[nH+]1 ZINC000301469717 178169184 /nfs/dbraw/zinc/16/91/84/178169184.db2.gz IGCSWGDULZHSTN-JTQLQIEISA-N 1 2 225.317 1.065 20 0 BDADLO Cc1nc(CCNc2nc(C)[nH+]cc2C)cs1 ZINC000576389933 365583104 /nfs/dbraw/zinc/58/31/04/365583104.db2.gz HWDXMBKUMHRDOD-UHFFFAOYSA-N 1 2 248.355 1.935 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000649422583 398221370 /nfs/dbraw/zinc/22/13/70/398221370.db2.gz QCNIPCZIWWZBFU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000649422583 398221371 /nfs/dbraw/zinc/22/13/71/398221371.db2.gz QCNIPCZIWWZBFU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000649422583 398221373 /nfs/dbraw/zinc/22/13/73/398221373.db2.gz QCNIPCZIWWZBFU-NSHDSACASA-N 1 2 236.319 1.053 20 0 BDADLO Cc1cc(NCc2nncn2C)nc(C(C)C)[nH+]1 ZINC000037987055 178176659 /nfs/dbraw/zinc/17/66/59/178176659.db2.gz ICYVCTYAGYHHRQ-UHFFFAOYSA-N 1 2 246.318 1.649 20 0 BDADLO Cc1cc(NCc2ncccc2F)nc[nH+]1 ZINC000127534981 178177187 /nfs/dbraw/zinc/17/71/87/178177187.db2.gz OUFGLRNLYBTFIW-UHFFFAOYSA-N 1 2 218.235 1.931 20 0 BDADLO Cc1cc(N[C@@H](C)c2nnc[nH]2)nc(C)[nH+]1 ZINC000133750129 178180450 /nfs/dbraw/zinc/18/04/50/178180450.db2.gz ARSQQMWTXMORFO-ZETCQYMHSA-N 1 2 218.264 1.385 20 0 BDADLO Cc1cc(N[C@@H](CCO)c2ccco2)nc[nH+]1 ZINC000302225350 178180598 /nfs/dbraw/zinc/18/05/98/178180598.db2.gz RHEGLQUQRNNYJX-JTQLQIEISA-N 1 2 233.271 1.914 20 0 BDADLO CCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000067656243 349519751 /nfs/dbraw/zinc/51/97/51/349519751.db2.gz YWDUPRJEMOKDAR-UHFFFAOYSA-N 1 2 248.326 1.867 20 0 BDADLO Cc1cc(N[C@H](C(N)=O)c2ccccc2)nc[nH+]1 ZINC000301285083 178184420 /nfs/dbraw/zinc/18/44/20/178184420.db2.gz ZAFOMGJXJCAZFW-LBPRGKRZSA-N 1 2 242.282 1.424 20 0 BDADLO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@H]23)nc[nH+]1 ZINC000328790162 178187105 /nfs/dbraw/zinc/18/71/05/178187105.db2.gz LDXZSVNEWDWPBC-WDEREUQCSA-N 1 2 246.314 1.350 20 0 BDADLO Cc1cc(N[C@H](CO)CC(F)F)nc[nH+]1 ZINC000309068343 178187155 /nfs/dbraw/zinc/18/71/55/178187155.db2.gz AMTSHAWWDNGQNY-ZETCQYMHSA-N 1 2 217.219 1.213 20 0 BDADLO CCC(CC)CN(CC)Cc1noc(C[NH3+])n1 ZINC000310031882 168350935 /nfs/dbraw/zinc/35/09/35/168350935.db2.gz MJOVFGOSHCXILF-UHFFFAOYSA-N 1 2 240.351 1.786 20 0 BDADLO CN(CC1(C)COC1)c1nc[nH+]c(N)c1Cl ZINC000624528526 343987616 /nfs/dbraw/zinc/98/76/16/343987616.db2.gz ZQSSRCDIOHTEGW-UHFFFAOYSA-N 1 2 242.710 1.185 20 0 BDADLO CN(CC1(C)COC1)c1[nH+]cnc(N)c1Cl ZINC000624528526 343987617 /nfs/dbraw/zinc/98/76/17/343987617.db2.gz ZQSSRCDIOHTEGW-UHFFFAOYSA-N 1 2 242.710 1.185 20 0 BDADLO CCCN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000276468523 538932655 /nfs/dbraw/zinc/93/26/55/538932655.db2.gz QAWOOVCNRLJNDG-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO CCCN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000276468523 538932656 /nfs/dbraw/zinc/93/26/56/538932656.db2.gz QAWOOVCNRLJNDG-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO COc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000276697799 538932828 /nfs/dbraw/zinc/93/28/28/538932828.db2.gz YBYXHNQNVQCFOO-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)CCCO)nn1C ZINC000421357851 192331997 /nfs/dbraw/zinc/33/19/97/192331997.db2.gz REXDYHQOLLVZKS-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)CCCO)nn1C ZINC000421357851 192331999 /nfs/dbraw/zinc/33/19/99/192331999.db2.gz REXDYHQOLLVZKS-UHFFFAOYSA-N 1 2 231.727 1.196 20 0 BDADLO COc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000276697799 538932829 /nfs/dbraw/zinc/93/28/29/538932829.db2.gz YBYXHNQNVQCFOO-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421359707 192332384 /nfs/dbraw/zinc/33/23/84/192332384.db2.gz XRUACKWESMFYOL-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421359707 192332385 /nfs/dbraw/zinc/33/23/85/192332385.db2.gz XRUACKWESMFYOL-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO COCc1cnc(C[N@@H+]2CC[C@@](C)(O)C2)s1 ZINC000342922565 136224776 /nfs/dbraw/zinc/22/47/76/136224776.db2.gz WQUYFQDLOGETCR-LLVKDONJSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@H+]2CC[C@@](C)(O)C2)s1 ZINC000342922565 136224777 /nfs/dbraw/zinc/22/47/77/136224777.db2.gz WQUYFQDLOGETCR-LLVKDONJSA-N 1 2 242.344 1.246 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)no1 ZINC000336618852 178232743 /nfs/dbraw/zinc/23/27/43/178232743.db2.gz FDLYJCZRAWJRRR-KOLCDFICSA-N 1 2 246.314 1.914 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnn2ccccc12 ZINC000179815111 259305202 /nfs/dbraw/zinc/30/52/02/259305202.db2.gz URXZKNAFNZRZFZ-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnn2ccccc12 ZINC000179815111 259305203 /nfs/dbraw/zinc/30/52/03/259305203.db2.gz URXZKNAFNZRZFZ-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000279802012 538936666 /nfs/dbraw/zinc/93/66/66/538936666.db2.gz HACVGCFGKOLFQI-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000279802012 538936668 /nfs/dbraw/zinc/93/66/68/538936668.db2.gz HACVGCFGKOLFQI-UWVGGRQHSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnnn2C)on1 ZINC000329091836 178240759 /nfs/dbraw/zinc/24/07/59/178240759.db2.gz XBDZOEKTXMWJLO-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnnn2C)on1 ZINC000329091836 178240760 /nfs/dbraw/zinc/24/07/60/178240760.db2.gz XBDZOEKTXMWJLO-NSHDSACASA-N 1 2 247.302 1.449 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nnn(C)n2)ccc1F ZINC000279533366 178251753 /nfs/dbraw/zinc/25/17/53/178251753.db2.gz PKQALKFVQYSVDS-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO Cc1cc(N2CC[S@@](=O)CC[C@@H]2C)nc[nH+]1 ZINC000432860177 398239336 /nfs/dbraw/zinc/23/93/36/398239336.db2.gz QXCKLKZCZBBEGV-QFYYESIMSA-N 1 2 239.344 1.132 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000561533813 323003583 /nfs/dbraw/zinc/00/35/83/323003583.db2.gz IBLSBYNBTPGGLA-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO Cn1c[nH+]cc1-c1cc(C(F)(F)F)nn1C ZINC000649441471 398242595 /nfs/dbraw/zinc/24/25/95/398242595.db2.gz HTZTXHWDZMQVKH-UHFFFAOYSA-N 1 2 230.193 1.839 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ncc[nH]1 ZINC000285926177 538942811 /nfs/dbraw/zinc/94/28/11/538942811.db2.gz CQBITMHHOJEMMK-JTQLQIEISA-N 1 2 245.330 1.722 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cc(C)no1 ZINC000576597323 365636065 /nfs/dbraw/zinc/63/60/65/365636065.db2.gz ONUWBFCZAIQVHV-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO COc1nc(C)cc(N2CCn3c[nH+]cc3C2)n1 ZINC000576630586 365642283 /nfs/dbraw/zinc/64/22/83/365642283.db2.gz KXQHLZCIIOXPIR-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO CCC[C@H](C)CC(=O)NCc1c[nH+]cn1C ZINC000291190178 538947602 /nfs/dbraw/zinc/94/76/02/538947602.db2.gz CWQLGTBWXSRTEK-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ncc[nH]1 ZINC000289574581 538945844 /nfs/dbraw/zinc/94/58/44/538945844.db2.gz BDLXJYYWKCZSRJ-JTQLQIEISA-N 1 2 245.330 1.722 20 0 BDADLO C[C@H](NCc1ncccc1N(C)C)c1[nH]cc[nH+]1 ZINC000289574581 538945849 /nfs/dbraw/zinc/94/58/49/538945849.db2.gz BDLXJYYWKCZSRJ-JTQLQIEISA-N 1 2 245.330 1.722 20 0 BDADLO CC(C)n1nccc1C(=O)NCc1c[nH+]cn1C ZINC000291362831 538947619 /nfs/dbraw/zinc/94/76/19/538947619.db2.gz YMNFQPNRRCZNJU-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(C1CC1)C1CC1 ZINC000291169965 538947696 /nfs/dbraw/zinc/94/76/96/538947696.db2.gz IVTSNVAVAAMCHC-UHFFFAOYSA-N 1 2 233.315 1.473 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2CC)C[C@H](C)O1 ZINC000417758462 398258862 /nfs/dbraw/zinc/25/88/62/398258862.db2.gz OQOAOYCIAOFSKO-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2CC)C[C@H](C)O1 ZINC000417758462 398258864 /nfs/dbraw/zinc/25/88/64/398258864.db2.gz OQOAOYCIAOFSKO-WCQYABFASA-N 1 2 237.347 1.902 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000291212139 538947744 /nfs/dbraw/zinc/94/77/44/538947744.db2.gz MENNSPBRUKTOBJ-GDNZZTSVSA-N 1 2 233.315 1.473 20 0 BDADLO Cc1ncsc1C(=O)NCc1c[nH+]cn1C ZINC000291221106 538947291 /nfs/dbraw/zinc/94/72/91/538947291.db2.gz GRDUXSJIWVPNGP-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO CCC(CC)C(=O)NCc1c[nH+]cn1C ZINC000291295503 538947324 /nfs/dbraw/zinc/94/73/24/538947324.db2.gz RVBBMFMGHUIZIC-UHFFFAOYSA-N 1 2 209.293 1.473 20 0 BDADLO CCCC[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291188700 538947333 /nfs/dbraw/zinc/94/73/33/538947333.db2.gz CSDDSUPGGHAHNI-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)co1 ZINC000291422262 538948117 /nfs/dbraw/zinc/94/81/17/538948117.db2.gz KPWZWJLAOYYFGE-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO O=C1C[N@H+](CC2CCCC2)CN1C1CC1 ZINC000335245196 136234119 /nfs/dbraw/zinc/23/41/19/136234119.db2.gz KZAGTBJTIKGANJ-UHFFFAOYSA-N 1 2 208.305 1.441 20 0 BDADLO O=C1C[N@@H+](CC2CCCC2)CN1C1CC1 ZINC000335245196 136234120 /nfs/dbraw/zinc/23/41/20/136234120.db2.gz KZAGTBJTIKGANJ-UHFFFAOYSA-N 1 2 208.305 1.441 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]Cc2cc[nH]n2)[nH]1 ZINC000602510926 349584915 /nfs/dbraw/zinc/58/49/15/349584915.db2.gz JUKCOBOIIMFRNK-UHFFFAOYSA-N 1 2 248.286 1.204 20 0 BDADLO Cn1ncnc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000179651154 538955447 /nfs/dbraw/zinc/95/54/47/538955447.db2.gz XILOCCLIBUOBGT-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO COCC[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000053258248 346848900 /nfs/dbraw/zinc/84/89/00/346848900.db2.gz WKIMLORTNIEIKP-UHFFFAOYSA-N 1 2 229.320 1.344 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCOC[C@@H]1CC ZINC000179772376 538956059 /nfs/dbraw/zinc/95/60/59/538956059.db2.gz NVFCPQVXQXAKGH-LBPRGKRZSA-N 1 2 237.347 1.593 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCOC[C@@H]1CC ZINC000179772376 538956060 /nfs/dbraw/zinc/95/60/60/538956060.db2.gz NVFCPQVXQXAKGH-LBPRGKRZSA-N 1 2 237.347 1.593 20 0 BDADLO FCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000378871341 346851061 /nfs/dbraw/zinc/85/10/61/346851061.db2.gz OJRGYTLSQGNLKQ-VIFPVBQESA-N 1 2 240.307 1.905 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000165364140 361839583 /nfs/dbraw/zinc/83/95/83/361839583.db2.gz CMRPWLPJQVOISZ-JTQLQIEISA-N 1 2 240.328 1.671 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000165364140 361839587 /nfs/dbraw/zinc/83/95/87/361839587.db2.gz CMRPWLPJQVOISZ-JTQLQIEISA-N 1 2 240.328 1.671 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC000600150656 342691355 /nfs/dbraw/zinc/69/13/55/342691355.db2.gz FTESWQJERJNUDZ-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C)o1 ZINC000600150656 342691357 /nfs/dbraw/zinc/69/13/57/342691357.db2.gz FTESWQJERJNUDZ-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H]1CCCN1Cc1[nH]cc(C)[nH+]1 ZINC000600152665 342691965 /nfs/dbraw/zinc/69/19/65/342691965.db2.gz VBADBAPBLAUZNR-SNVBAGLBSA-N 1 2 237.303 1.246 20 0 BDADLO O[C@@H]1COC[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000649479404 398276856 /nfs/dbraw/zinc/27/68/56/398276856.db2.gz INEPMIYGYFLULU-VXGBXAGGSA-N 1 2 248.257 1.546 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1CCc1cnccn1 ZINC000402596806 342731387 /nfs/dbraw/zinc/73/13/87/342731387.db2.gz IJVVFYZIIQRTFT-GFCCVEGCSA-N 1 2 249.314 1.047 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1CCc1cnccn1 ZINC000402596806 342731389 /nfs/dbraw/zinc/73/13/89/342731389.db2.gz IJVVFYZIIQRTFT-GFCCVEGCSA-N 1 2 249.314 1.047 20 0 BDADLO Cc1cccn2cc(CSCCO)[nH+]c12 ZINC000035188997 342734679 /nfs/dbraw/zinc/73/46/79/342734679.db2.gz CYMCYUIKZZQMFU-UHFFFAOYSA-N 1 2 222.313 1.868 20 0 BDADLO Cc1cc(C[N@H+](C)CCc2cncc(C)n2)no1 ZINC000649486265 398283333 /nfs/dbraw/zinc/28/33/33/398283333.db2.gz DKCWUPBGZXQGTE-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1cc(C[N@@H+](C)CCc2cncc(C)n2)no1 ZINC000649486265 398283335 /nfs/dbraw/zinc/28/33/35/398283335.db2.gz DKCWUPBGZXQGTE-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO COC[C@H]1C[N@@H+]([C@H](C)c2ccncc2)CCO1 ZINC000607743111 342786876 /nfs/dbraw/zinc/78/68/76/342786876.db2.gz VPMPIASWPCNQFH-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H]1C[N@H+]([C@H](C)c2ccncc2)CCO1 ZINC000607743111 342786877 /nfs/dbraw/zinc/78/68/77/342786877.db2.gz VPMPIASWPCNQFH-DGCLKSJQSA-N 1 2 236.315 1.490 20 0 BDADLO FCC[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000624651325 342809295 /nfs/dbraw/zinc/80/92/95/342809295.db2.gz YUZOAFQXSAYIBK-JTQLQIEISA-N 1 2 210.252 1.646 20 0 BDADLO CCCCOCC[NH2+]Cc1csnn1 ZINC000040506802 344003665 /nfs/dbraw/zinc/00/36/65/344003665.db2.gz DIZXKFWHJOMMMS-UHFFFAOYSA-N 1 2 215.322 1.444 20 0 BDADLO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000186513221 538973612 /nfs/dbraw/zinc/97/36/12/538973612.db2.gz FLHCRPTYKRYGFK-ALWPCLGOSA-N 1 2 223.320 1.696 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000624724285 342822405 /nfs/dbraw/zinc/82/24/05/342822405.db2.gz BHAISTFPGJRVHH-XYPYZODXSA-N 1 2 233.315 1.674 20 0 BDADLO Cn1ccnc1-c1c[nH+]c2n1CCCC2 ZINC000630052962 361922604 /nfs/dbraw/zinc/92/26/04/361922604.db2.gz NYWGDDUFMISLOW-UHFFFAOYSA-N 1 2 202.261 1.620 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000624727190 342822995 /nfs/dbraw/zinc/82/29/95/342822995.db2.gz QBKXOZDKGBITEN-XYPYZODXSA-N 1 2 248.330 1.666 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000624727190 342822997 /nfs/dbraw/zinc/82/29/97/342822997.db2.gz QBKXOZDKGBITEN-XYPYZODXSA-N 1 2 248.330 1.666 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)o1 ZINC000335464440 398289611 /nfs/dbraw/zinc/28/96/11/398289611.db2.gz DXRQZPDKVURXGJ-HWPZZCPQSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)o1 ZINC000335464440 398289614 /nfs/dbraw/zinc/28/96/14/398289614.db2.gz DXRQZPDKVURXGJ-HWPZZCPQSA-N 1 2 241.356 1.931 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CCCCO1 ZINC000649494462 398290002 /nfs/dbraw/zinc/29/00/02/398290002.db2.gz PFMBMZJQHMTKKL-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CCCCO1 ZINC000649494462 398290004 /nfs/dbraw/zinc/29/00/04/398290004.db2.gz PFMBMZJQHMTKKL-AWEZNQCLSA-N 1 2 249.358 1.830 20 0 BDADLO CC[N@@H+](Cc1cncnc1)C[C@@H](O)C(F)(F)F ZINC000189866825 538985768 /nfs/dbraw/zinc/98/57/68/538985768.db2.gz PHNXASNNEULTIS-SECBINFHSA-N 1 2 249.236 1.222 20 0 BDADLO CC[N@H+](Cc1cncnc1)C[C@@H](O)C(F)(F)F ZINC000189866825 538985770 /nfs/dbraw/zinc/98/57/70/538985770.db2.gz PHNXASNNEULTIS-SECBINFHSA-N 1 2 249.236 1.222 20 0 BDADLO Cc1nnsc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000649494794 398292681 /nfs/dbraw/zinc/29/26/81/398292681.db2.gz YYXPUDLVTAEQDB-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnsc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000649494794 398292682 /nfs/dbraw/zinc/29/26/82/398292682.db2.gz YYXPUDLVTAEQDB-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000380271577 538988235 /nfs/dbraw/zinc/98/82/35/538988235.db2.gz WIHOAGZXQCFWFI-SECBINFHSA-N 1 2 215.247 1.996 20 0 BDADLO c1[nH]cc(NCc2cccc3c[nH]nc32)[nH+]1 ZINC000381500968 539002246 /nfs/dbraw/zinc/00/22/46/539002246.db2.gz GEXKTGBVVKPQLF-UHFFFAOYSA-N 1 2 213.244 1.898 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C)ncn2)o1 ZINC000381590246 539004129 /nfs/dbraw/zinc/00/41/29/539004129.db2.gz JECTUWJIRHDDGE-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO Cn1cnc(C[NH2+][C@H](CO)c2ccsc2)c1 ZINC000381594137 539004548 /nfs/dbraw/zinc/00/45/48/539004548.db2.gz KTLCAIPZOPEAAR-LLVKDONJSA-N 1 2 237.328 1.305 20 0 BDADLO CCOC1CC[NH+](Cc2ncnn2CC)CC1 ZINC000193315992 539004696 /nfs/dbraw/zinc/00/46/96/539004696.db2.gz RJXNEYHVYYVVSX-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cccc(C)n1 ZINC000381612043 539004783 /nfs/dbraw/zinc/00/47/83/539004783.db2.gz SQRSLLBIUGAPRA-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cccc(C)n1 ZINC000381612043 539004784 /nfs/dbraw/zinc/00/47/84/539004784.db2.gz SQRSLLBIUGAPRA-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO CCc1cc(N[C@@H](CO)CC(F)F)nc[nH+]1 ZINC000381775305 539006978 /nfs/dbraw/zinc/00/69/78/539006978.db2.gz WUVJGKYLOFBFCG-MRVPVSSYSA-N 1 2 231.246 1.467 20 0 BDADLO COc1ccc(NCc2cccc(O)c2)[nH+]c1 ZINC000383515966 539011922 /nfs/dbraw/zinc/01/19/22/539011922.db2.gz QQMQVPZDJUERDS-UHFFFAOYSA-N 1 2 230.267 1.830 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2c[nH]nc2C)s1 ZINC000381208141 538996779 /nfs/dbraw/zinc/99/67/79/538996779.db2.gz GQDPOJOXKPZJCI-ZCFIWIBFSA-N 1 2 237.332 1.729 20 0 BDADLO C[C@@H](Cn1cccn1)Nc1cc[nH+]cc1F ZINC000381329374 538998017 /nfs/dbraw/zinc/99/80/17/538998017.db2.gz SKUVOJAVIKWTEU-VIFPVBQESA-N 1 2 220.251 1.340 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000390477624 539021929 /nfs/dbraw/zinc/02/19/29/539021929.db2.gz LJRYGJPOHBFWIO-RQJHMYQMSA-N 1 2 221.264 1.513 20 0 BDADLO CCc1cc(NCCc2nnc(C)s2)nc[nH+]1 ZINC000392000050 539027852 /nfs/dbraw/zinc/02/78/52/539027852.db2.gz OYOLOURXFRSKPY-UHFFFAOYSA-N 1 2 249.343 1.275 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](O)[C@H]2C)[nH+]1 ZINC000649502076 398297408 /nfs/dbraw/zinc/29/74/08/398297408.db2.gz DFSQGMNUYDFMIE-GMSGAONNSA-N 1 2 232.287 1.226 20 0 BDADLO CCc1cc(NC[C@@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000388773206 539014860 /nfs/dbraw/zinc/01/48/60/539014860.db2.gz URVAMLBSICSDEC-GHMZBOCLSA-N 1 2 235.331 1.688 20 0 BDADLO FC(F)OC[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC000348877534 136242696 /nfs/dbraw/zinc/24/26/96/136242696.db2.gz OXVHXKQKMXNXNY-MRVPVSSYSA-N 1 2 232.230 1.736 20 0 BDADLO FC(F)OC[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000348877534 136242697 /nfs/dbraw/zinc/24/26/97/136242697.db2.gz OXVHXKQKMXNXNY-MRVPVSSYSA-N 1 2 232.230 1.736 20 0 BDADLO O[C@H]1CC[N@@H+](CCNCc2ccc(Cl)o2)C1 ZINC000623836267 342854334 /nfs/dbraw/zinc/85/43/34/342854334.db2.gz SJLSPXPHVYESLG-VIFPVBQESA-N 1 2 244.722 1.089 20 0 BDADLO CCc1cc(NCCC(=O)NC(C)C)nc[nH+]1 ZINC000134649964 342874745 /nfs/dbraw/zinc/87/47/45/342874745.db2.gz ROPZSLZNEWSVGZ-UHFFFAOYSA-N 1 2 236.319 1.366 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CCOCC1(C)C ZINC000625102879 342857191 /nfs/dbraw/zinc/85/71/91/342857191.db2.gz LAHOQNPZTJBVLH-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CCOCC1(C)C ZINC000625102879 342857192 /nfs/dbraw/zinc/85/71/92/342857192.db2.gz LAHOQNPZTJBVLH-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(C2CC2)cn1 ZINC000531030196 398318855 /nfs/dbraw/zinc/31/88/55/398318855.db2.gz BLCZBRTYCFPWGF-UHFFFAOYSA-N 1 2 242.282 1.612 20 0 BDADLO Cc1cc(NC(=O)c2ncccc2C)cc[nH+]1 ZINC000336474978 398319245 /nfs/dbraw/zinc/31/92/45/398319245.db2.gz BQVJUQPUZPUXLD-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO CO[C@@](C)(C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627372793 398319991 /nfs/dbraw/zinc/31/99/91/398319991.db2.gz XCRHWQOCNQBAGX-CYBMUJFWSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@@](C)(C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627372793 398319993 /nfs/dbraw/zinc/31/99/93/398319993.db2.gz XCRHWQOCNQBAGX-CYBMUJFWSA-N 1 2 249.314 1.110 20 0 BDADLO CC(C)c1noc(CN2CCn3cc[nH+]c3C2)n1 ZINC000331878781 398312718 /nfs/dbraw/zinc/31/27/18/398312718.db2.gz LVADUKURYSFMLP-UHFFFAOYSA-N 1 2 247.302 1.405 20 0 BDADLO COCCc1nc(C[N@H+](C)CC2CC2)no1 ZINC000351344641 136244810 /nfs/dbraw/zinc/24/48/10/136244810.db2.gz WLPWLFOPCYNDEG-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO COCCc1nc(C[N@@H+](C)CC2CC2)no1 ZINC000351344641 136244811 /nfs/dbraw/zinc/24/48/11/136244811.db2.gz WLPWLFOPCYNDEG-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)C(F)(F)F ZINC000628034960 342887916 /nfs/dbraw/zinc/88/79/16/342887916.db2.gz QARMNXLZJXPHRV-SSDOTTSWSA-N 1 2 249.236 1.957 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000628034960 342887918 /nfs/dbraw/zinc/88/79/18/342887918.db2.gz QARMNXLZJXPHRV-SSDOTTSWSA-N 1 2 249.236 1.957 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000625140182 342889631 /nfs/dbraw/zinc/88/96/31/342889631.db2.gz QVJJLOMVKSDGTF-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000625140182 342889633 /nfs/dbraw/zinc/88/96/33/342889633.db2.gz QVJJLOMVKSDGTF-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO c1cn([C@@H]2CCCN(Cc3cnns3)C2)c[nH+]1 ZINC000625142416 342891014 /nfs/dbraw/zinc/89/10/14/342891014.db2.gz YWEKONKTPFHPPP-SNVBAGLBSA-N 1 2 249.343 1.572 20 0 BDADLO O=C(N1CC(Oc2cc[nH+]cc2)C1)C12CC(C1)C2 ZINC000625190265 342905686 /nfs/dbraw/zinc/90/56/86/342905686.db2.gz TZGWWTSCZNQQMM-UHFFFAOYSA-N 1 2 244.294 1.471 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1noc(C)n1 ZINC000351480908 136246148 /nfs/dbraw/zinc/24/61/48/136246148.db2.gz WGWGUSSWRZGYOO-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1noc(C)n1 ZINC000351480908 136246149 /nfs/dbraw/zinc/24/61/49/136246149.db2.gz WGWGUSSWRZGYOO-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc2c(c1)nnn2C ZINC000647236682 398322817 /nfs/dbraw/zinc/32/28/17/398322817.db2.gz YSSNRIBQOTZKOL-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO C[C@@H]([NH2+]Cc1csnn1)c1cccnc1 ZINC000036902037 342913062 /nfs/dbraw/zinc/91/30/62/342913062.db2.gz MFCIXEPUDBGJFY-MRVPVSSYSA-N 1 2 220.301 1.784 20 0 BDADLO CCOC[C@@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351514789 136246761 /nfs/dbraw/zinc/24/67/61/136246761.db2.gz AFOHOMXSBDYNEK-MWLCHTKSSA-N 1 2 239.319 1.797 20 0 BDADLO CCOC[C@@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351514789 136246762 /nfs/dbraw/zinc/24/67/62/136246762.db2.gz AFOHOMXSBDYNEK-MWLCHTKSSA-N 1 2 239.319 1.797 20 0 BDADLO OCCCC[N@H+](Cc1cnns1)C1CC1 ZINC000625183648 342903265 /nfs/dbraw/zinc/90/32/65/342903265.db2.gz IMKCEKNUIIFWHZ-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OCCCC[N@@H+](Cc1cnns1)C1CC1 ZINC000625183648 342903266 /nfs/dbraw/zinc/90/32/66/342903266.db2.gz IMKCEKNUIIFWHZ-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625185775 342903599 /nfs/dbraw/zinc/90/35/99/342903599.db2.gz RSSLWDDFZJHVGB-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625185775 342903600 /nfs/dbraw/zinc/90/36/00/342903600.db2.gz RSSLWDDFZJHVGB-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045784603 342923296 /nfs/dbraw/zinc/92/32/96/342923296.db2.gz AQWUNKGXARAPBR-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045784603 342923297 /nfs/dbraw/zinc/92/32/97/342923297.db2.gz AQWUNKGXARAPBR-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)[C@H](C)CO1 ZINC000045784500 342923312 /nfs/dbraw/zinc/92/33/12/342923312.db2.gz ZTJZZFXTNSUGFG-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)[C@H](C)CO1 ZINC000045784500 342923313 /nfs/dbraw/zinc/92/33/13/342923313.db2.gz ZTJZZFXTNSUGFG-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCO[C@H](C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000625239511 342927829 /nfs/dbraw/zinc/92/78/29/342927829.db2.gz QUFDIELVIOFZFG-NSHDSACASA-N 1 2 239.319 1.097 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOC(C)(C)C ZINC000309229589 342915598 /nfs/dbraw/zinc/91/55/98/342915598.db2.gz WLKJQUUAEKBUHK-UHFFFAOYSA-N 1 2 211.309 1.623 20 0 BDADLO COC(=O)C(C)(C)[NH2+][C@H]1CCSC1 ZINC000037085278 342918093 /nfs/dbraw/zinc/91/80/93/342918093.db2.gz CCPOMMSUIYPIDZ-ZETCQYMHSA-N 1 2 203.307 1.033 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000602634275 349649673 /nfs/dbraw/zinc/64/96/73/349649673.db2.gz MFJGOZHEWKZFQP-NWDGAFQWSA-N 1 2 247.338 1.943 20 0 BDADLO CC[C@@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493543095 529426797 /nfs/dbraw/zinc/42/67/97/529426797.db2.gz ADDCTGHKFCHCBM-MJKAUQOVSA-N 1 2 249.314 1.497 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000677714206 488187998 /nfs/dbraw/zinc/18/79/98/488187998.db2.gz RYSMTEUIAHETJX-QMMMGPOBSA-N 1 2 233.237 1.804 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000677714206 488188003 /nfs/dbraw/zinc/18/80/03/488188003.db2.gz RYSMTEUIAHETJX-QMMMGPOBSA-N 1 2 233.237 1.804 20 0 BDADLO C[C@H]1CCc2[nH]n(CC[NH+](C)C)c(=O)c2C1 ZINC000634589665 342936580 /nfs/dbraw/zinc/93/65/80/342936580.db2.gz DVIQCZNXAKSWES-UWVGGRQHSA-N 1 2 223.320 1.182 20 0 BDADLO C[C@@H]1CCc2[nH]n(CC[NH+](C)C)c(=O)c2C1 ZINC000634589664 342936696 /nfs/dbraw/zinc/93/66/96/342936696.db2.gz DVIQCZNXAKSWES-NXEZZACHSA-N 1 2 223.320 1.182 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCOC2)cs1 ZINC000120751353 398337204 /nfs/dbraw/zinc/33/72/04/398337204.db2.gz QXRZBCSATAMGPZ-JTQLQIEISA-N 1 2 212.318 1.672 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCOC2)cs1 ZINC000120751353 398337205 /nfs/dbraw/zinc/33/72/05/398337205.db2.gz QXRZBCSATAMGPZ-JTQLQIEISA-N 1 2 212.318 1.672 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)NCC(F)F ZINC000121034339 398337536 /nfs/dbraw/zinc/33/75/36/398337536.db2.gz SBXMTHPSTGOEPZ-UHFFFAOYSA-N 1 2 246.261 1.180 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)ccc1F ZINC000123450203 398338220 /nfs/dbraw/zinc/33/82/20/398338220.db2.gz OONVFUQEGVZBRM-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)ccc1F ZINC000123450203 398338221 /nfs/dbraw/zinc/33/82/21/398338221.db2.gz OONVFUQEGVZBRM-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(F)F ZINC000493348761 529456931 /nfs/dbraw/zinc/45/69/31/529456931.db2.gz FLUFMFNPQGLARZ-SDLBARTOSA-N 1 2 229.230 1.583 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)n1C ZINC000602677200 349670164 /nfs/dbraw/zinc/67/01/64/349670164.db2.gz VRYOYQVALWCLKJ-VIFPVBQESA-N 1 2 240.278 1.356 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](F)C2)n1C ZINC000602677200 349670166 /nfs/dbraw/zinc/67/01/66/349670166.db2.gz VRYOYQVALWCLKJ-VIFPVBQESA-N 1 2 240.278 1.356 20 0 BDADLO C[C@H]1CSC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000331382761 398339994 /nfs/dbraw/zinc/33/99/94/398339994.db2.gz NLHPRZUTPUIVDJ-CBAPKCEASA-N 1 2 249.343 1.527 20 0 BDADLO CC[C@@H]([NH2+]CCc1cccc(F)c1)C(=O)OC ZINC000134930692 398342049 /nfs/dbraw/zinc/34/20/49/398342049.db2.gz PSOYJXPDQSXBRY-GFCCVEGCSA-N 1 2 239.290 1.909 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccn(C)c2)s1 ZINC000380338841 346891999 /nfs/dbraw/zinc/89/19/99/346891999.db2.gz QZLAYGQVQHTSQD-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO C[C@@H]1CC[C@@H]2C(=O)N(CC[NH+]3CCCCC3)N=C12 ZINC000634592193 342946103 /nfs/dbraw/zinc/94/61/03/342946103.db2.gz BAADRGLDWIJMRM-NEPJUHHUSA-N 1 2 249.358 1.717 20 0 BDADLO C[C@@H]1CCc2c(=O)n(CC[NH+]3CCCCC3)[nH]c21 ZINC000634592193 342946104 /nfs/dbraw/zinc/94/61/04/342946104.db2.gz BAADRGLDWIJMRM-NEPJUHHUSA-N 1 2 249.358 1.717 20 0 BDADLO CCSCC[N@@H+]1Cc2cnn(C)c2C1 ZINC000602718634 349687427 /nfs/dbraw/zinc/68/74/27/349687427.db2.gz IRSFSCDRJMHBAG-UHFFFAOYSA-N 1 2 211.334 1.489 20 0 BDADLO CCSCC[N@H+]1Cc2cnn(C)c2C1 ZINC000602718634 349687430 /nfs/dbraw/zinc/68/74/30/349687430.db2.gz IRSFSCDRJMHBAG-UHFFFAOYSA-N 1 2 211.334 1.489 20 0 BDADLO CCc1cnc(C[N@H+](C)C[C@H](O)COC)s1 ZINC000175513628 346897862 /nfs/dbraw/zinc/89/78/62/346897862.db2.gz VLCGOYMNUBCJAV-VIFPVBQESA-N 1 2 244.360 1.145 20 0 BDADLO CCc1cnc(C[N@@H+](C)C[C@H](O)COC)s1 ZINC000175513628 346897865 /nfs/dbraw/zinc/89/78/65/346897865.db2.gz VLCGOYMNUBCJAV-VIFPVBQESA-N 1 2 244.360 1.145 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](OC)C1CC1 ZINC000602692555 349690166 /nfs/dbraw/zinc/69/01/66/349690166.db2.gz AVWHVDKJCLAOTR-NEPJUHHUSA-N 1 2 241.331 1.343 20 0 BDADLO O=C(N1CC(n2cc[nH+]c2)C1)C12CC(C1)C2 ZINC000625616809 344019275 /nfs/dbraw/zinc/01/92/75/344019275.db2.gz MMDRDSHGPUUSNC-UHFFFAOYSA-N 1 2 217.272 1.067 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCCOC2)C[C@H](C)[S@@]1=O ZINC000616823269 346905281 /nfs/dbraw/zinc/90/52/81/346905281.db2.gz ISVBJPCXZAATKQ-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)C[C@H](C)[S@@]1=O ZINC000616823269 346905283 /nfs/dbraw/zinc/90/52/83/346905283.db2.gz ISVBJPCXZAATKQ-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H]1C1CC1 ZINC000493267851 529550701 /nfs/dbraw/zinc/55/07/01/529550701.db2.gz OSMVNUAPZGWTHH-BTDICHCPSA-N 1 2 245.326 1.927 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC(C)(C)CF ZINC000492739788 529551926 /nfs/dbraw/zinc/55/19/26/529551926.db2.gz SXQSQKZUHFDFEE-AATRIKPKSA-N 1 2 239.294 1.781 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCC(F)F ZINC000492463501 529551964 /nfs/dbraw/zinc/55/19/64/529551964.db2.gz WAIITSJETRDSGG-ONEGZZNKSA-N 1 2 229.230 1.298 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NCCCCF ZINC000493755443 529553686 /nfs/dbraw/zinc/55/36/86/529553686.db2.gz LXNVTHGDMFYEHQ-AATRIKPKSA-N 1 2 239.294 1.782 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@]1(C)CCOC1 ZINC000493569969 529556203 /nfs/dbraw/zinc/55/62/03/529556203.db2.gz WSCFRTPNQXRVEN-IHVVCDCBSA-N 1 2 249.314 1.211 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCO1 ZINC000492705036 529556841 /nfs/dbraw/zinc/55/68/41/529556841.db2.gz LEDLPKBPNBYCDZ-PLNGDYQASA-N 1 2 221.260 1.080 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCOC[C@@H]1C ZINC000493593468 529557892 /nfs/dbraw/zinc/55/78/92/529557892.db2.gz QTGWPSDHBCLVKR-WYGGZMRJSA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCCF ZINC000493831035 529558935 /nfs/dbraw/zinc/55/89/35/529558935.db2.gz ZFGRNKIEAFAOPI-ARJAWSKDSA-N 1 2 211.240 1.002 20 0 BDADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)F ZINC000493449249 529573495 /nfs/dbraw/zinc/57/34/95/529573495.db2.gz JWHJQNFJUINBJB-TUUFMJSCSA-N 1 2 229.230 1.583 20 0 BDADLO CC[NH+]1CCC(N2N=C(C)CC2=O)CC1 ZINC000634601946 342997137 /nfs/dbraw/zinc/99/71/37/342997137.db2.gz AIJBWGFHHLBCFC-UHFFFAOYSA-N 1 2 209.293 1.079 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC[C@]1(C)CC ZINC000602798565 349739553 /nfs/dbraw/zinc/73/95/53/349739553.db2.gz LFEQEURGYGDJGM-LBPRGKRZSA-N 1 2 225.336 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC[C@]1(C)CC ZINC000602798565 349739557 /nfs/dbraw/zinc/73/95/57/349739557.db2.gz LFEQEURGYGDJGM-LBPRGKRZSA-N 1 2 225.336 1.290 20 0 BDADLO COC(=O)c1cc(C[NH+]2CC(C)(C)C2)on1 ZINC000602752260 349731004 /nfs/dbraw/zinc/73/10/04/349731004.db2.gz PWJINZZVEFFVLQ-UHFFFAOYSA-N 1 2 224.260 1.303 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCc2sccc2C1 ZINC000602761214 349733312 /nfs/dbraw/zinc/73/33/12/349733312.db2.gz VNTZJMGOTXMJGL-UHFFFAOYSA-N 1 2 235.356 1.909 20 0 BDADLO CCN(C#N)CC[N@H+]1CCc2sccc2C1 ZINC000602761214 349733315 /nfs/dbraw/zinc/73/33/15/349733315.db2.gz VNTZJMGOTXMJGL-UHFFFAOYSA-N 1 2 235.356 1.909 20 0 BDADLO COC(=O)C1([NH2+]Cc2ccccc2)CCOCC1 ZINC000037952640 343015722 /nfs/dbraw/zinc/01/57/22/343015722.db2.gz NKSGISRPCKAOHX-UHFFFAOYSA-N 1 2 249.310 1.498 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000602784661 349749378 /nfs/dbraw/zinc/74/93/78/349749378.db2.gz ITLDOWLUKYMXRK-UHFFFAOYSA-N 1 2 237.347 1.434 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC2(CCCC2)C1 ZINC000602784661 349749384 /nfs/dbraw/zinc/74/93/84/349749384.db2.gz ITLDOWLUKYMXRK-UHFFFAOYSA-N 1 2 237.347 1.434 20 0 BDADLO Cc1[nH]nc2ncc(C[N@H+]3CCOC[C@H]3C)cc12 ZINC000351879169 136262010 /nfs/dbraw/zinc/26/20/10/136262010.db2.gz HDWWWDXEALRYRL-SECBINFHSA-N 1 2 246.314 1.487 20 0 BDADLO Cc1[nH]nc2ncc(C[N@@H+]3CCOC[C@H]3C)cc12 ZINC000351879169 136262011 /nfs/dbraw/zinc/26/20/11/136262011.db2.gz HDWWWDXEALRYRL-SECBINFHSA-N 1 2 246.314 1.487 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000602832913 349768716 /nfs/dbraw/zinc/76/87/16/349768716.db2.gz UDFQQVSMEUXBPP-CIUDSAMLSA-N 1 2 238.287 1.862 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000602832913 349768717 /nfs/dbraw/zinc/76/87/17/349768717.db2.gz UDFQQVSMEUXBPP-CIUDSAMLSA-N 1 2 238.287 1.862 20 0 BDADLO O=C1[C@@H]2CCCC2=NN1CCCn1cc[nH+]c1 ZINC000634633935 343046775 /nfs/dbraw/zinc/04/67/75/343046775.db2.gz JRAKKAWOEGNQQB-SNVBAGLBSA-N 1 2 232.287 1.272 20 0 BDADLO CCOC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000384131703 343053245 /nfs/dbraw/zinc/05/32/45/343053245.db2.gz OWONVDWCLMJNQI-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCOCC2CC2)o1 ZINC000088600414 259344406 /nfs/dbraw/zinc/34/44/06/259344406.db2.gz ZXBRPQDINKLVCV-VIFPVBQESA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCOCC2CC2)o1 ZINC000088600414 259344409 /nfs/dbraw/zinc/34/44/09/259344409.db2.gz ZXBRPQDINKLVCV-VIFPVBQESA-N 1 2 239.319 1.797 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1CC1CCCC1 ZINC000135539234 343063656 /nfs/dbraw/zinc/06/36/56/343063656.db2.gz SDMPTMVFMWOAEL-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1CC1CCCC1 ZINC000135539234 343063659 /nfs/dbraw/zinc/06/36/59/343063659.db2.gz SDMPTMVFMWOAEL-NSHDSACASA-N 1 2 227.304 1.050 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC1(C)C ZINC000576838032 365701241 /nfs/dbraw/zinc/70/12/41/365701241.db2.gz SLKBVOTYJHBEDH-KOLCDFICSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC1(C)C ZINC000576838032 365701242 /nfs/dbraw/zinc/70/12/42/365701242.db2.gz SLKBVOTYJHBEDH-KOLCDFICSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@@]12CCOC(C)(C)C2 ZINC000634533845 362028486 /nfs/dbraw/zinc/02/84/86/362028486.db2.gz RGRPUQAXJLIGOO-ZDUSSCGKSA-N 1 2 240.347 1.360 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@@]12CCOC(C)(C)C2 ZINC000634533845 362028489 /nfs/dbraw/zinc/02/84/89/362028489.db2.gz RGRPUQAXJLIGOO-ZDUSSCGKSA-N 1 2 240.347 1.360 20 0 BDADLO C[N@@H+]1CCN(C(=O)c2nccs2)C(C)(C)C1 ZINC000683568074 488198411 /nfs/dbraw/zinc/19/84/11/488198411.db2.gz FPAKSRGQBQGKAB-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO C[N@H+]1CCN(C(=O)c2nccs2)C(C)(C)C1 ZINC000683568074 488198412 /nfs/dbraw/zinc/19/84/12/488198412.db2.gz FPAKSRGQBQGKAB-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CC[C@H]([NH2+]CCCSC)C(=O)OC ZINC000168358751 136267863 /nfs/dbraw/zinc/26/78/63/136267863.db2.gz XELUHEFOUANFHD-QMMMGPOBSA-N 1 2 205.323 1.281 20 0 BDADLO CC[C@@H](C)[N@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000049328823 343103697 /nfs/dbraw/zinc/10/36/97/343103697.db2.gz RVQOJLNFHPDOJR-LLVKDONJSA-N 1 2 239.319 1.458 20 0 BDADLO CC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000049328823 343103700 /nfs/dbraw/zinc/10/37/00/343103700.db2.gz RVQOJLNFHPDOJR-LLVKDONJSA-N 1 2 239.319 1.458 20 0 BDADLO CC[C@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000640939168 362076213 /nfs/dbraw/zinc/07/62/13/362076213.db2.gz OWHRKLSSXHKQNF-JTQLQIEISA-N 1 2 240.376 1.798 20 0 BDADLO C[C@@H](NC(=O)N[C@@H](C)C(F)F)c1[nH+]ccn1C ZINC000640998115 362109945 /nfs/dbraw/zinc/10/99/45/362109945.db2.gz ZMBBQQLYJDAUSS-NKWVEPMBSA-N 1 2 246.261 1.434 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625271956 343184195 /nfs/dbraw/zinc/18/41/95/343184195.db2.gz ASXSQSVRSHCMTN-WPRPVWTQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625271956 343184196 /nfs/dbraw/zinc/18/41/96/343184196.db2.gz ASXSQSVRSHCMTN-WPRPVWTQSA-N 1 2 237.303 1.292 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCS[C@H](C)C1 ZINC000123872551 343166593 /nfs/dbraw/zinc/16/65/93/343166593.db2.gz GSCKGKFPEOYIRJ-SSDOTTSWSA-N 1 2 240.332 1.009 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCS[C@H](C)C1 ZINC000123872551 343166596 /nfs/dbraw/zinc/16/65/96/343166596.db2.gz GSCKGKFPEOYIRJ-SSDOTTSWSA-N 1 2 240.332 1.009 20 0 BDADLO COC[C@H]([NH2+][C@@H](CC(C)C)C(=O)OC)C(C)C ZINC000126168428 343168949 /nfs/dbraw/zinc/16/89/49/343168949.db2.gz BFSWFBWYEOBVKQ-RYUDHWBXSA-N 1 2 245.363 1.835 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125409308 343173674 /nfs/dbraw/zinc/17/36/74/343173674.db2.gz HEVXVRJZISFXFL-BDAKNGLRSA-N 1 2 223.276 1.156 20 0 BDADLO Cc1ncccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000141082121 343197567 /nfs/dbraw/zinc/19/75/67/343197567.db2.gz SMBAGKPCWNCCAU-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000194986408 136276263 /nfs/dbraw/zinc/27/62/63/136276263.db2.gz UQRAJOJUDFVFAM-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000194986408 136276264 /nfs/dbraw/zinc/27/62/64/136276264.db2.gz UQRAJOJUDFVFAM-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO COc1c(N)[nH+]cnc1NCCc1cccnc1 ZINC000134833476 343195370 /nfs/dbraw/zinc/19/53/70/343195370.db2.gz ZFIGXCWWCSSRBX-UHFFFAOYSA-N 1 2 245.286 1.117 20 0 BDADLO COc1c(N)nc[nH+]c1NCCc1cccnc1 ZINC000134833476 343195372 /nfs/dbraw/zinc/19/53/72/343195372.db2.gz ZFIGXCWWCSSRBX-UHFFFAOYSA-N 1 2 245.286 1.117 20 0 BDADLO CCO[C@@H](C[N@@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000625318328 343234036 /nfs/dbraw/zinc/23/40/36/343234036.db2.gz OLEIBRYZEGRODK-ZDUSSCGKSA-N 1 2 249.358 1.822 20 0 BDADLO CCO[C@@H](C[N@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000625318328 343234038 /nfs/dbraw/zinc/23/40/38/343234038.db2.gz OLEIBRYZEGRODK-ZDUSSCGKSA-N 1 2 249.358 1.822 20 0 BDADLO C[C@@H]([NH2+]Cc1noc(C2CCC2)n1)[C@H](C)CO ZINC000625322353 343234763 /nfs/dbraw/zinc/23/47/63/343234763.db2.gz DKGYCNAIOKOGKB-RKDXNWHRSA-N 1 2 239.319 1.444 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000077901549 343245631 /nfs/dbraw/zinc/24/56/31/343245631.db2.gz RVOMXOGIPSPLHI-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000077901549 343245633 /nfs/dbraw/zinc/24/56/33/343245633.db2.gz RVOMXOGIPSPLHI-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COCC(F)F ZINC000625356219 343247492 /nfs/dbraw/zinc/24/74/92/343247492.db2.gz SZJBTEQWEOSWOX-UHFFFAOYSA-N 1 2 230.214 1.032 20 0 BDADLO CCO[C@@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000625356163 343247497 /nfs/dbraw/zinc/24/74/97/343247497.db2.gz QKMCZODUBAMCPE-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@@H](C[N@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000625356163 343247499 /nfs/dbraw/zinc/24/74/99/343247499.db2.gz QKMCZODUBAMCPE-QWRGUYRKSA-N 1 2 249.301 1.503 20 0 BDADLO Cc1nccnc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000621361778 343261175 /nfs/dbraw/zinc/26/11/75/343261175.db2.gz HYBSKVWDNBFXAH-VIFPVBQESA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000121463772 343267100 /nfs/dbraw/zinc/26/71/00/343267100.db2.gz ZHFKDOHSGNCNLJ-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(C)CCC1 ZINC000121607293 343268346 /nfs/dbraw/zinc/26/83/46/343268346.db2.gz PXDKXBORJFDQBY-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO C[NH2+]Cc1noc(CCc2cccc(C)c2)n1 ZINC000051986475 343281920 /nfs/dbraw/zinc/28/19/20/343281920.db2.gz BQVGXIKXBKUFLV-UHFFFAOYSA-N 1 2 231.299 1.883 20 0 BDADLO C[C@@H]([NH2+]Cc1ccccn1)c1nncn1C ZINC000037016989 343330467 /nfs/dbraw/zinc/33/04/67/343330467.db2.gz YCLKYWUPWKJQFW-SECBINFHSA-N 1 2 217.276 1.061 20 0 BDADLO C[C@@H](NCc1cscn1)c1[nH+]ccn1C ZINC000070008448 343296703 /nfs/dbraw/zinc/29/67/03/343296703.db2.gz HJSZSUCHBUIMRO-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(CC[C@H](C)O)nn1 ZINC000641052911 362162813 /nfs/dbraw/zinc/16/28/13/362162813.db2.gz WCNILMSGTOJYHU-JTQLQIEISA-N 1 2 246.314 1.343 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(F)cn1 ZINC000070853826 343338775 /nfs/dbraw/zinc/33/87/75/343338775.db2.gz XOOSXIVTSZVYBY-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO O=C(NCC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000335676723 136318641 /nfs/dbraw/zinc/31/86/41/136318641.db2.gz XABRLYLGOMIICM-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@]3(C2)CCCOC3)no1 ZINC000367065365 136309280 /nfs/dbraw/zinc/30/92/80/136309280.db2.gz FXROSDKOUWZPSD-LBPRGKRZSA-N 1 2 237.303 1.381 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@]3(C2)CCCOC3)no1 ZINC000367065365 136309281 /nfs/dbraw/zinc/30/92/81/136309281.db2.gz FXROSDKOUWZPSD-LBPRGKRZSA-N 1 2 237.303 1.381 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H](C)C2)nc1 ZINC000335668653 136311943 /nfs/dbraw/zinc/31/19/43/136311943.db2.gz ZWJFNOIFLULVLR-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H](C)C2)nc1 ZINC000335668653 136311944 /nfs/dbraw/zinc/31/19/44/136311944.db2.gz ZWJFNOIFLULVLR-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC(F)(F)C1 ZINC000335669099 136312623 /nfs/dbraw/zinc/31/26/23/136312623.db2.gz IKZMRPADOPWUQR-UHFFFAOYSA-N 1 2 229.230 1.141 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000335669154 136312705 /nfs/dbraw/zinc/31/27/05/136312705.db2.gz CQGZTMDCXFYKBO-NWDGAFQWSA-N 1 2 235.331 1.656 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)on1 ZINC000335663004 136315386 /nfs/dbraw/zinc/31/53/86/136315386.db2.gz HZEHMXGWXKRRMO-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)on1 ZINC000335663004 136315387 /nfs/dbraw/zinc/31/53/87/136315387.db2.gz HZEHMXGWXKRRMO-LBPRGKRZSA-N 1 2 222.288 1.676 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCOC[C@H]1C ZINC000335688003 136323669 /nfs/dbraw/zinc/32/36/69/136323669.db2.gz MCVQGWSBVVWAMT-LLVKDONJSA-N 1 2 237.347 1.993 20 0 BDADLO Cc1nn(C(C)C)cc1C[N@H+]1CCOC[C@H]1C ZINC000335688003 136323670 /nfs/dbraw/zinc/32/36/70/136323670.db2.gz MCVQGWSBVVWAMT-LLVKDONJSA-N 1 2 237.347 1.993 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1CSC1 ZINC000631138898 343422804 /nfs/dbraw/zinc/42/28/04/343422804.db2.gz BFBKLZKGTWJCAK-UHFFFAOYSA-N 1 2 208.286 1.113 20 0 BDADLO CCN1CC[N@H+](Cc2cnccc2C)[C@H](C)C1=O ZINC000335690865 136325187 /nfs/dbraw/zinc/32/51/87/136325187.db2.gz TXYMWNIOSNIREU-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2cnccc2C)[C@H](C)C1=O ZINC000335690865 136325188 /nfs/dbraw/zinc/32/51/88/136325188.db2.gz TXYMWNIOSNIREU-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cn1cc(C[NH2+]Cc2c(F)cccc2F)cn1 ZINC000041158668 343415962 /nfs/dbraw/zinc/41/59/62/343415962.db2.gz DJZXCIASZCHFMY-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000631138777 343417317 /nfs/dbraw/zinc/41/73/17/343417317.db2.gz ACNTUXUTPBOMSC-GARJFASQSA-N 1 2 234.299 1.564 20 0 BDADLO Cc1cc(NC(=O)c2cn[nH]c2)cc[nH+]1 ZINC000082267160 343438586 /nfs/dbraw/zinc/43/85/86/343438586.db2.gz SDDHUGWNKUNLFB-UHFFFAOYSA-N 1 2 202.217 1.365 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000042464825 343439720 /nfs/dbraw/zinc/43/97/20/343439720.db2.gz LJRGCZZZZWMWBH-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000042464825 343439721 /nfs/dbraw/zinc/43/97/21/343439721.db2.gz LJRGCZZZZWMWBH-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(CO)CC1 ZINC000335721720 136346225 /nfs/dbraw/zinc/34/62/25/136346225.db2.gz NAPUWIOCNOCBKT-UHFFFAOYSA-N 1 2 235.287 1.345 20 0 BDADLO CC(C)COCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641083872 362205129 /nfs/dbraw/zinc/20/51/29/362205129.db2.gz ZPGVMWMUOXOHHN-UHFFFAOYSA-N 1 2 249.318 1.196 20 0 BDADLO c1ccc(N2CC[C@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000335703452 136334893 /nfs/dbraw/zinc/33/48/93/136334893.db2.gz YKGXEABSCWLWNV-RYUDHWBXSA-N 1 2 218.300 1.944 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335704527 136335141 /nfs/dbraw/zinc/33/51/41/136335141.db2.gz GDUNYVGXCLIDNR-LLVKDONJSA-N 1 2 249.358 1.950 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccnc1 ZINC000042536210 343441624 /nfs/dbraw/zinc/44/16/24/343441624.db2.gz NNGDLIUQONABCW-SNVBAGLBSA-N 1 2 230.271 1.097 20 0 BDADLO CC[C@H](O)[C@H](CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493594344 529710089 /nfs/dbraw/zinc/71/00/89/529710089.db2.gz HFLBWWYTVYIAQG-PZIAFJOJSA-N 1 2 237.303 1.089 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000335716932 136339454 /nfs/dbraw/zinc/33/94/54/136339454.db2.gz DPSCSOTWIONSPB-JTQLQIEISA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335719902 136340681 /nfs/dbraw/zinc/34/06/81/136340681.db2.gz DIHQQHXNXKACOE-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335719902 136340682 /nfs/dbraw/zinc/34/06/82/136340682.db2.gz DIHQQHXNXKACOE-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Nc1cccc(F)n1 ZINC000042417127 343437289 /nfs/dbraw/zinc/43/72/89/343437289.db2.gz RTAUAECHLIUYOZ-SNVBAGLBSA-N 1 2 239.294 1.353 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335844575 136354699 /nfs/dbraw/zinc/35/46/99/136354699.db2.gz CSIWYWHGPHKLHF-NSHDSACASA-N 1 2 235.331 1.560 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000231651440 488219302 /nfs/dbraw/zinc/21/93/02/488219302.db2.gz OQYNMKFVZSGTCB-SCZZXKLOSA-N 1 2 239.319 1.376 20 0 BDADLO CSC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000602919631 349809357 /nfs/dbraw/zinc/80/93/57/349809357.db2.gz IUDOUAHBYWIBCV-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CSC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000602919631 349809359 /nfs/dbraw/zinc/80/93/59/349809359.db2.gz IUDOUAHBYWIBCV-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CSC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000602919631 349809362 /nfs/dbraw/zinc/80/93/62/349809362.db2.gz IUDOUAHBYWIBCV-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CCc2ccccn2)CCO1 ZINC000351107848 136367832 /nfs/dbraw/zinc/36/78/32/136367832.db2.gz ZJEOJQBQVVLQEQ-AWEZNQCLSA-N 1 2 234.343 1.981 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CCc2ccccn2)CCO1 ZINC000351107848 136367833 /nfs/dbraw/zinc/36/78/33/136367833.db2.gz ZJEOJQBQVVLQEQ-AWEZNQCLSA-N 1 2 234.343 1.981 20 0 BDADLO CC(=O)CCC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000351501179 136368784 /nfs/dbraw/zinc/36/87/84/136368784.db2.gz WVBYJNSUBBCYRI-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccon1 ZINC000351579409 136369414 /nfs/dbraw/zinc/36/94/14/136369414.db2.gz IVBTWGBWQFRUJY-VIFPVBQESA-N 1 2 247.302 1.381 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccn1 ZINC000351607717 136369862 /nfs/dbraw/zinc/36/98/62/136369862.db2.gz XHVISDBMJFDDFT-AOOOYVTPSA-N 1 2 217.272 1.173 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccn1 ZINC000351607717 136369863 /nfs/dbraw/zinc/36/98/63/136369863.db2.gz XHVISDBMJFDDFT-AOOOYVTPSA-N 1 2 217.272 1.173 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000351605137 136370014 /nfs/dbraw/zinc/37/00/14/136370014.db2.gz NHRFDYNPDDXXCW-OYNCUSHFSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](O)[C@@H](C)C2)no1 ZINC000351605137 136370015 /nfs/dbraw/zinc/37/00/15/136370015.db2.gz NHRFDYNPDDXXCW-OYNCUSHFSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1cc[nH]c1C(=O)Nc1cc[nH+]cc1C ZINC000335907416 136371170 /nfs/dbraw/zinc/37/11/70/136371170.db2.gz ODMGGGFDPQBFJE-UHFFFAOYSA-N 1 2 215.256 1.701 20 0 BDADLO Cc1nc(C[NH2+][C@H]2CCCn3nccc32)[nH]c1C ZINC000631298674 343474471 /nfs/dbraw/zinc/47/44/71/343474471.db2.gz NHFAKOPSFJGFDW-NSHDSACASA-N 1 2 245.330 1.848 20 0 BDADLO Cc1[nH]c(CN[C@H]2CCCn3nccc32)[nH+]c1C ZINC000631298674 343474473 /nfs/dbraw/zinc/47/44/73/343474473.db2.gz NHFAKOPSFJGFDW-NSHDSACASA-N 1 2 245.330 1.848 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccco1 ZINC000083977442 343512248 /nfs/dbraw/zinc/51/22/48/343512248.db2.gz IONVKKOLXQWYHQ-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CCn1ccnc1NC(=O)CCn1cc[nH+]c1 ZINC000622712575 343521062 /nfs/dbraw/zinc/52/10/62/343521062.db2.gz BRKAZTAKKCGTOH-UHFFFAOYSA-N 1 2 233.275 1.128 20 0 BDADLO CC(C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047617683 343564080 /nfs/dbraw/zinc/56/40/80/343564080.db2.gz YCRIENZROABPLS-SNVBAGLBSA-N 1 2 224.308 1.227 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(F)(F)F)C(C)C ZINC000070912411 343565745 /nfs/dbraw/zinc/56/57/45/343565745.db2.gz PTZGXARFVUGNHI-ZETCQYMHSA-N 1 2 227.226 1.726 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1cnc(C)o1 ZINC000628289851 346946881 /nfs/dbraw/zinc/94/68/81/346946881.db2.gz QGBUISABDIOHKQ-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1cnc(C)o1 ZINC000628289851 346946886 /nfs/dbraw/zinc/94/68/86/346946886.db2.gz QGBUISABDIOHKQ-LLVKDONJSA-N 1 2 240.303 1.220 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ncoc1C ZINC000580570172 365775054 /nfs/dbraw/zinc/77/50/54/365775054.db2.gz QRJAOAPTLNJSQB-UHFFFAOYSA-N 1 2 234.259 1.129 20 0 BDADLO Cc1cc(C)nc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000049235972 343594479 /nfs/dbraw/zinc/59/44/79/343594479.db2.gz KTFRRAHBJGXGJJ-LLVKDONJSA-N 1 2 231.303 1.791 20 0 BDADLO Cn1cc[nH+]c1CNc1ncnc2c1CCC2 ZINC000071140335 343621967 /nfs/dbraw/zinc/62/19/67/343621967.db2.gz AAPRDKBHBZITNQ-UHFFFAOYSA-N 1 2 229.287 1.311 20 0 BDADLO COc1ccc(N(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC000622740221 343597305 /nfs/dbraw/zinc/59/73/05/343597305.db2.gz WJZLIQIFCJSJQB-UHFFFAOYSA-N 1 2 245.282 1.555 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577798 343603087 /nfs/dbraw/zinc/60/30/87/343603087.db2.gz QUADCJMMNKZAEF-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cc1ccc(O)c(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000622745769 343605530 /nfs/dbraw/zinc/60/55/30/343605530.db2.gz WFOUZHDXLMKFAF-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ncccc1F ZINC000622746220 343606712 /nfs/dbraw/zinc/60/67/12/343606712.db2.gz MYUUAXXBZDJMOL-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ncccc1F ZINC000622746220 343606714 /nfs/dbraw/zinc/60/67/14/343606714.db2.gz MYUUAXXBZDJMOL-UHFFFAOYSA-N 1 2 234.234 1.216 20 0 BDADLO CN(C)c1ccc(CNC(=O)OC2CCC2)c[nH+]1 ZINC000497031530 529781973 /nfs/dbraw/zinc/78/19/73/529781973.db2.gz DLLWROODBZGWKV-UHFFFAOYSA-N 1 2 249.314 1.926 20 0 BDADLO COCC[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000053259065 343645937 /nfs/dbraw/zinc/64/59/37/343645937.db2.gz FDMNIFWLQSILLR-LLVKDONJSA-N 1 2 229.320 1.344 20 0 BDADLO Cc1nccc(SC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000584109744 343647358 /nfs/dbraw/zinc/64/73/58/343647358.db2.gz CKELYTGHPVYLIE-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cc1nccc(SC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000584109744 343647360 /nfs/dbraw/zinc/64/73/60/343647360.db2.gz CKELYTGHPVYLIE-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000052073631 343631582 /nfs/dbraw/zinc/63/15/82/343631582.db2.gz PXAFERQSEVGACB-JTQLQIEISA-N 1 2 238.306 1.955 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000052073631 343631585 /nfs/dbraw/zinc/63/15/85/343631585.db2.gz PXAFERQSEVGACB-JTQLQIEISA-N 1 2 238.306 1.955 20 0 BDADLO F[C@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668214184 488228936 /nfs/dbraw/zinc/22/89/36/488228936.db2.gz XZIZKOOGJKMMCG-VIFPVBQESA-N 1 2 209.268 1.373 20 0 BDADLO Cc1noc(C)c1CN(C)Cc1[nH+]ccn1C ZINC000057620359 343691074 /nfs/dbraw/zinc/69/10/74/343691074.db2.gz PKDXRWCWWNLHBQ-UHFFFAOYSA-N 1 2 234.303 1.657 20 0 BDADLO Cc1cc(C)nc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000126443468 343706246 /nfs/dbraw/zinc/70/62/46/343706246.db2.gz MMCWHBGRLCHFAK-UHFFFAOYSA-N 1 2 230.271 1.534 20 0 BDADLO Cc1nc([C@H](C)N2CCc3[nH+]c[nH]c3C2)no1 ZINC000625434980 343735485 /nfs/dbraw/zinc/73/54/85/343735485.db2.gz BYFSTDUYFNGHKX-ZETCQYMHSA-N 1 2 233.275 1.220 20 0 BDADLO C[C@H](c1cnccn1)N1CCc2[nH+]c[nH]c2C1 ZINC000625438343 343740124 /nfs/dbraw/zinc/74/01/24/343740124.db2.gz ZHEMFTLUCZIXTP-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO COCc1cnc(CNc2c[nH]c[nH+]2)s1 ZINC000309072878 346961452 /nfs/dbraw/zinc/96/14/52/346961452.db2.gz GRQMQWRZGFBAKK-UHFFFAOYSA-N 1 2 224.289 1.625 20 0 BDADLO COc1cncc(C[N@H+](C(C)C)C2COC2)n1 ZINC000625450837 343777790 /nfs/dbraw/zinc/77/77/90/343777790.db2.gz VGDKKJMUABLRLG-UHFFFAOYSA-N 1 2 237.303 1.094 20 0 BDADLO COc1cncc(C[N@@H+](C(C)C)C2COC2)n1 ZINC000625450837 343777791 /nfs/dbraw/zinc/77/77/91/343777791.db2.gz VGDKKJMUABLRLG-UHFFFAOYSA-N 1 2 237.303 1.094 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ncc[nH]1 ZINC000286373394 537810142 /nfs/dbraw/zinc/81/01/42/537810142.db2.gz ZRPDBIKPTILFDA-PWSUYJOCSA-N 1 2 231.299 1.794 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618502415 349873254 /nfs/dbraw/zinc/87/32/54/349873254.db2.gz DKAMIVUTZXAXPX-MDZLAQPJSA-N 1 2 247.342 1.515 20 0 BDADLO CN(C(=O)C[N@@H+]1CCCOCC1)c1ccccc1 ZINC000334197807 343832530 /nfs/dbraw/zinc/83/25/30/343832530.db2.gz LDWSIYRVJWCTIQ-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO CN(C(=O)C[N@H+]1CCCOCC1)c1ccccc1 ZINC000334197807 343832533 /nfs/dbraw/zinc/83/25/33/343832533.db2.gz LDWSIYRVJWCTIQ-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO Cn1cncc1C[NH2+]Cc1c(Cl)cnn1C ZINC000336701246 537825566 /nfs/dbraw/zinc/82/55/66/537825566.db2.gz NYIHYBGBPGRRBV-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)Cc1cccc2[nH]ccc21 ZINC000179798611 346997992 /nfs/dbraw/zinc/99/79/92/346997992.db2.gz VAWYYLMIMVGJFB-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)Cc1cccc2[nH]ccc21 ZINC000179798611 346997995 /nfs/dbraw/zinc/99/79/95/346997995.db2.gz VAWYYLMIMVGJFB-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC000625457894 343859987 /nfs/dbraw/zinc/85/99/87/343859987.db2.gz RMGFQUZZMMSJTR-MRVPVSSYSA-N 1 2 211.240 1.029 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC000625457894 343859989 /nfs/dbraw/zinc/85/99/89/343859989.db2.gz RMGFQUZZMMSJTR-MRVPVSSYSA-N 1 2 211.240 1.029 20 0 BDADLO CCC[C@@H](NCc1c[nH+]cn1C)C(=O)OCC ZINC000290610907 347001687 /nfs/dbraw/zinc/00/16/87/347001687.db2.gz KJBXPPNBYFCTCK-LLVKDONJSA-N 1 2 239.319 1.242 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC ZINC000402149680 349887352 /nfs/dbraw/zinc/88/73/52/349887352.db2.gz OPHAXLYKZNQYMX-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)C(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370961 347009678 /nfs/dbraw/zinc/00/96/78/347009678.db2.gz RKHKXIZBIVHWQK-UHFFFAOYSA-N 1 2 235.331 1.977 20 0 BDADLO CC(C)C(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370961 347009680 /nfs/dbraw/zinc/00/96/80/347009680.db2.gz RKHKXIZBIVHWQK-UHFFFAOYSA-N 1 2 235.331 1.977 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cc(C)on1 ZINC000381979386 347015326 /nfs/dbraw/zinc/01/53/26/347015326.db2.gz DWUSPWVERLEYNI-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO COC1CC(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000625515183 343914983 /nfs/dbraw/zinc/91/49/83/343914983.db2.gz WJEOKVKCHTYVOL-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO CCCNC(=O)C[N@H+](C)CCC(F)(F)F ZINC000070977637 343958413 /nfs/dbraw/zinc/95/84/13/343958413.db2.gz REJFUKFOBHXIOA-UHFFFAOYSA-N 1 2 226.242 1.397 20 0 BDADLO CCCNC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000070977637 343958414 /nfs/dbraw/zinc/95/84/14/343958414.db2.gz REJFUKFOBHXIOA-UHFFFAOYSA-N 1 2 226.242 1.397 20 0 BDADLO C[C@H](CC(=O)N1CC[C@H]1C)n1cc[nH+]c1 ZINC000641246754 362316934 /nfs/dbraw/zinc/31/69/34/362316934.db2.gz IYPBJSHXAONGBQ-NXEZZACHSA-N 1 2 207.277 1.455 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1C ZINC000641243696 362319229 /nfs/dbraw/zinc/31/92/29/362319229.db2.gz MXWJTMIJMDJDJC-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1C ZINC000641243696 362319232 /nfs/dbraw/zinc/31/92/32/362319232.db2.gz MXWJTMIJMDJDJC-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCOCC(F)F)C2 ZINC000625726676 344058058 /nfs/dbraw/zinc/05/80/58/344058058.db2.gz AHRMNDGXTLBBLV-UHFFFAOYSA-N 1 2 243.253 1.990 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCOCC(F)F)C2 ZINC000625726676 344058059 /nfs/dbraw/zinc/05/80/59/344058059.db2.gz AHRMNDGXTLBBLV-UHFFFAOYSA-N 1 2 243.253 1.990 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625728383 344060118 /nfs/dbraw/zinc/06/01/18/344060118.db2.gz MTOMELHDXSTCNT-UHFFFAOYSA-N 1 2 243.310 1.950 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625728383 344060119 /nfs/dbraw/zinc/06/01/19/344060119.db2.gz MTOMELHDXSTCNT-UHFFFAOYSA-N 1 2 243.310 1.950 20 0 BDADLO CCO[C@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000625742504 344061881 /nfs/dbraw/zinc/06/18/81/344061881.db2.gz NIMLXHYRPJYOGM-JTQLQIEISA-N 1 2 225.292 1.087 20 0 BDADLO CCO[C@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000625742504 344061883 /nfs/dbraw/zinc/06/18/83/344061883.db2.gz NIMLXHYRPJYOGM-JTQLQIEISA-N 1 2 225.292 1.087 20 0 BDADLO C[C@@H]1CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000641241307 362300617 /nfs/dbraw/zinc/30/06/17/362300617.db2.gz IWAOATAGZHFZOH-NXEZZACHSA-N 1 2 219.288 1.066 20 0 BDADLO Cc1nn(C)c(C)c1CCNc1cc[nH+]cc1F ZINC000641286021 362346007 /nfs/dbraw/zinc/34/60/07/362346007.db2.gz PARJBSZVLNPHFN-UHFFFAOYSA-N 1 2 248.305 1.648 20 0 BDADLO O=c1cc(C[NH+](C2CC2)C2CC2)nc2cc[nH]n21 ZINC000625840741 344092564 /nfs/dbraw/zinc/09/25/64/344092564.db2.gz YTMQHGLNWYSXGJ-UHFFFAOYSA-N 1 2 244.298 1.149 20 0 BDADLO CCCCOCCNc1cc(CO)cc[nH+]1 ZINC000641315536 362359392 /nfs/dbraw/zinc/35/93/92/362359392.db2.gz JQSBFINNBMKFAK-UHFFFAOYSA-N 1 2 224.304 1.803 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(C3CC3)o2)CCO1 ZINC000628126843 344156268 /nfs/dbraw/zinc/15/62/68/344156268.db2.gz JSYRWIHNHMQBPJ-VIFPVBQESA-N 1 2 222.288 1.773 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(C3CC3)o2)CCO1 ZINC000628126843 344156269 /nfs/dbraw/zinc/15/62/69/344156269.db2.gz JSYRWIHNHMQBPJ-VIFPVBQESA-N 1 2 222.288 1.773 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cocn1 ZINC000107287898 344236557 /nfs/dbraw/zinc/23/65/57/344236557.db2.gz SAEYGTPKLCUTGA-UHFFFAOYSA-N 1 2 203.201 1.630 20 0 BDADLO CC(C)(C)OCCNc1cc[nH+]cc1F ZINC000641322497 362363693 /nfs/dbraw/zinc/36/36/93/362363693.db2.gz ZBGONBJZDXXGIX-UHFFFAOYSA-N 1 2 212.268 1.870 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)C2CC(O)C2)n1 ZINC000408217614 344253068 /nfs/dbraw/zinc/25/30/68/344253068.db2.gz ZRPLVEDEIXBYAW-UEJVZZJDSA-N 1 2 225.292 1.148 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)C2CC(O)C2)n1 ZINC000408217614 344253070 /nfs/dbraw/zinc/25/30/70/344253070.db2.gz ZRPLVEDEIXBYAW-UEJVZZJDSA-N 1 2 225.292 1.148 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCCc3ccccc3C2)[nH]1 ZINC000091558904 344282230 /nfs/dbraw/zinc/28/22/30/344282230.db2.gz KEADTABCLRBBLW-UHFFFAOYSA-N 1 2 244.298 1.046 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCCc3ccccc3C2)[nH]1 ZINC000091558904 344282232 /nfs/dbraw/zinc/28/22/32/344282232.db2.gz KEADTABCLRBBLW-UHFFFAOYSA-N 1 2 244.298 1.046 20 0 BDADLO CCCCN(CCOC)c1cc(CO)cc[nH+]1 ZINC000641366836 362378670 /nfs/dbraw/zinc/37/86/70/362378670.db2.gz GDRRQTFQOHDRPF-UHFFFAOYSA-N 1 2 238.331 1.827 20 0 BDADLO COC(=O)[C@@H]1C[N@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000092013281 344287607 /nfs/dbraw/zinc/28/76/07/344287607.db2.gz LIHYLQADTOZTBN-KOLCDFICSA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H](C)O1 ZINC000092013281 344287609 /nfs/dbraw/zinc/28/76/09/344287609.db2.gz LIHYLQADTOZTBN-KOLCDFICSA-N 1 2 239.271 1.042 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000093837548 344322864 /nfs/dbraw/zinc/32/28/64/344322864.db2.gz HMKRNBDPDKLGMB-LLVKDONJSA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000093837548 344322865 /nfs/dbraw/zinc/32/28/65/344322865.db2.gz HMKRNBDPDKLGMB-LLVKDONJSA-N 1 2 225.336 1.557 20 0 BDADLO CC(C)(C)C[C@H](O)CNc1cc[nH+]cc1F ZINC000641379718 362384389 /nfs/dbraw/zinc/38/43/89/362384389.db2.gz CGNULHDZZQVCCL-VIFPVBQESA-N 1 2 226.295 1.852 20 0 BDADLO C[C@H](NC(=O)c1ccn(C)c1)c1[nH+]ccn1C ZINC000620602798 344353115 /nfs/dbraw/zinc/35/31/15/344353115.db2.gz DZCWPOYBCLFASM-VIFPVBQESA-N 1 2 232.287 1.250 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)c1ccccc1F ZINC000634778506 344306177 /nfs/dbraw/zinc/30/61/77/344306177.db2.gz DHZNOXMKNHHSKN-PHIMTYICSA-N 1 2 249.285 1.587 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)c1ccccc1F ZINC000634778506 344306179 /nfs/dbraw/zinc/30/61/79/344306179.db2.gz DHZNOXMKNHHSKN-PHIMTYICSA-N 1 2 249.285 1.587 20 0 BDADLO CCC[C@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641373089 362381466 /nfs/dbraw/zinc/38/14/66/362381466.db2.gz SUEWLGOYNXIRNV-JTQLQIEISA-N 1 2 210.277 1.147 20 0 BDADLO CC[C@@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641389753 362387995 /nfs/dbraw/zinc/38/79/95/362387995.db2.gz QBVBKWHKJXSAGQ-JTQLQIEISA-N 1 2 210.277 1.147 20 0 BDADLO O[C@@H]1CCC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000641394643 362389239 /nfs/dbraw/zinc/38/92/39/362389239.db2.gz SOJDMNMHJCKKJG-NXEZZACHSA-N 1 2 224.279 1.606 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1cnn(C)c1 ZINC000641393816 362390787 /nfs/dbraw/zinc/39/07/87/362390787.db2.gz PNRFDWTYQSJGRG-SECBINFHSA-N 1 2 232.287 1.481 20 0 BDADLO CSC[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378252 347051410 /nfs/dbraw/zinc/05/14/10/347051410.db2.gz HJHZKJQNWNSMGR-QMMMGPOBSA-N 1 2 239.344 1.294 20 0 BDADLO CSC[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378252 347051412 /nfs/dbraw/zinc/05/14/12/347051412.db2.gz HJHZKJQNWNSMGR-QMMMGPOBSA-N 1 2 239.344 1.294 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000042223951 344448018 /nfs/dbraw/zinc/44/80/18/344448018.db2.gz TWHJRBDGBHKMLU-UHFFFAOYSA-N 1 2 223.272 1.300 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000042223951 344448021 /nfs/dbraw/zinc/44/80/21/344448021.db2.gz TWHJRBDGBHKMLU-UHFFFAOYSA-N 1 2 223.272 1.300 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](OC)C1CC1)C(C)C ZINC000400259815 344448942 /nfs/dbraw/zinc/44/89/42/344448942.db2.gz SKCCDLXLOJAITO-GHMZBOCLSA-N 1 2 229.320 1.199 20 0 BDADLO CC1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000622238055 344464225 /nfs/dbraw/zinc/46/42/25/344464225.db2.gz AAEJEXUPFXAYSH-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CC1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000622238055 344464229 /nfs/dbraw/zinc/46/42/29/344464229.db2.gz AAEJEXUPFXAYSH-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO COC(=O)Cc1ccccc1Cn1cc[nH+]c1 ZINC000123330566 344485193 /nfs/dbraw/zinc/48/51/93/344485193.db2.gz DHKYGIGNZNPZMW-UHFFFAOYSA-N 1 2 230.267 1.647 20 0 BDADLO COC(=O)C(C)(C)CNc1cc(C2CC2)[nH+]cn1 ZINC000603310419 349911331 /nfs/dbraw/zinc/91/13/31/349911331.db2.gz OWZYRAOYVOLWOX-UHFFFAOYSA-N 1 2 249.314 1.387 20 0 BDADLO CC[C@H](C[C@@H](C)CO)Nc1cc[nH+]cc1F ZINC000641411513 362402333 /nfs/dbraw/zinc/40/23/33/362402333.db2.gz WMDYKQYPEYKXDX-NXEZZACHSA-N 1 2 226.295 1.852 20 0 BDADLO C[C@H](NC(=O)C1=CCC1)c1[nH+]ccn1C ZINC000622978117 344523840 /nfs/dbraw/zinc/52/38/40/344523840.db2.gz KLAPETMERUYDQH-QMMMGPOBSA-N 1 2 205.261 1.318 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000043628430 344529081 /nfs/dbraw/zinc/52/90/81/344529081.db2.gz LOFUPTUBRAFDPW-VIFPVBQESA-N 1 2 208.261 1.075 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000043628430 344529082 /nfs/dbraw/zinc/52/90/82/344529082.db2.gz LOFUPTUBRAFDPW-VIFPVBQESA-N 1 2 208.261 1.075 20 0 BDADLO Cc1nc(C[N@H+](C)CCCO)cs1 ZINC000044609568 344542486 /nfs/dbraw/zinc/54/24/86/344542486.db2.gz KRSGWJAEQHOMRF-UHFFFAOYSA-N 1 2 200.307 1.266 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCO)cs1 ZINC000044609568 344542487 /nfs/dbraw/zinc/54/24/87/344542487.db2.gz KRSGWJAEQHOMRF-UHFFFAOYSA-N 1 2 200.307 1.266 20 0 BDADLO OC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000110490292 344557134 /nfs/dbraw/zinc/55/71/34/344557134.db2.gz IOXACYLZZOXOAW-UHFFFAOYSA-N 1 2 237.328 1.353 20 0 BDADLO CCOC(=O)CCN(C)c1cc[nH+]cc1F ZINC000603316042 349912574 /nfs/dbraw/zinc/91/25/74/349912574.db2.gz CKAUOEPRMPBJFZ-UHFFFAOYSA-N 1 2 226.251 1.610 20 0 BDADLO CCc1nc(SCc2ccc[nH+]c2N)n[nH]1 ZINC000641440474 362419838 /nfs/dbraw/zinc/41/98/38/362419838.db2.gz ZHPBEEDSAXRBBV-UHFFFAOYSA-N 1 2 235.316 1.637 20 0 BDADLO CCc1nnc(SCc2ccc[nH+]c2N)[nH]1 ZINC000641440474 362419844 /nfs/dbraw/zinc/41/98/44/362419844.db2.gz ZHPBEEDSAXRBBV-UHFFFAOYSA-N 1 2 235.316 1.637 20 0 BDADLO CC[C@H](C)C[C@H]([NH2+][C@@H](CC)COC)C(=O)OC ZINC000577731685 344590975 /nfs/dbraw/zinc/59/09/75/344590975.db2.gz NJWAUCSGOBVWPP-SRVKXCTJSA-N 1 2 245.363 1.979 20 0 BDADLO OCc1cc[nH+]c(NCCCc2ccccn2)c1 ZINC000641452290 362426629 /nfs/dbraw/zinc/42/66/29/362426629.db2.gz VMUBVNGOSVIWLR-UHFFFAOYSA-N 1 2 243.310 1.436 20 0 BDADLO C[C@H](O)[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641453245 362428124 /nfs/dbraw/zinc/42/81/24/362428124.db2.gz RPCHORCPIMPIMD-UWVGGRQHSA-N 1 2 224.279 1.818 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000577742684 344594956 /nfs/dbraw/zinc/59/49/56/344594956.db2.gz CXOOYPDIXSJNIM-RYUDHWBXSA-N 1 2 248.326 1.741 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000577742684 344594958 /nfs/dbraw/zinc/59/49/58/344594958.db2.gz CXOOYPDIXSJNIM-RYUDHWBXSA-N 1 2 248.326 1.741 20 0 BDADLO CN(C[C@H]1CCC[C@@H]1O)c1cc[nH+]cc1F ZINC000641460802 362433354 /nfs/dbraw/zinc/43/33/54/362433354.db2.gz CSCGROFWSKHROT-SKDRFNHKSA-N 1 2 224.279 1.818 20 0 BDADLO CC(C)(O)[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641468499 362436296 /nfs/dbraw/zinc/43/62/96/362436296.db2.gz MQRSMXHVMTWADZ-NSHDSACASA-N 1 2 236.315 1.314 20 0 BDADLO C[C@@H](CO)CCCNc1cc[nH+]cc1F ZINC000641465012 362439187 /nfs/dbraw/zinc/43/91/87/362439187.db2.gz RUBYJNLRVPBLPE-SECBINFHSA-N 1 2 212.268 1.463 20 0 BDADLO CC(C)C(=O)NCCN(C)c1cc[nH+]cc1F ZINC000641474095 362442436 /nfs/dbraw/zinc/44/24/36/362442436.db2.gz SLVFXSMBCFVQMX-UHFFFAOYSA-N 1 2 239.294 1.429 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493589631 529992092 /nfs/dbraw/zinc/99/20/92/529992092.db2.gz UHALKXCNGJLKRJ-SNAWJCMRSA-N 1 2 230.271 1.410 20 0 BDADLO CC[C@@H](CCO)CNc1cc(CO)cc[nH+]1 ZINC000641428933 362412647 /nfs/dbraw/zinc/41/26/47/362412647.db2.gz PSJDCTGIWWGIKH-JTQLQIEISA-N 1 2 224.304 1.394 20 0 BDADLO CC1(C)CN(c2cc[nH+]cc2F)C[C@@H]1O ZINC000641546810 362494353 /nfs/dbraw/zinc/49/43/53/362494353.db2.gz ZRWOSSPEFWKDRS-JTQLQIEISA-N 1 2 210.252 1.428 20 0 BDADLO Cc1nnc(CNc2cc(CO)cc[nH+]2)s1 ZINC000641485009 362454038 /nfs/dbraw/zinc/45/40/38/362454038.db2.gz HCWFAPIGPFVGSB-UHFFFAOYSA-N 1 2 236.300 1.346 20 0 BDADLO CCO[C@@H]1C[C@H](Nc2cc[nH+]cc2F)[C@@H]1OC ZINC000641490391 362458701 /nfs/dbraw/zinc/45/87/01/362458701.db2.gz XTCLGWXAPRYRSL-TUAOUCFPSA-N 1 2 240.278 1.247 20 0 BDADLO CC(C)C[C@@H](CO)N(C)c1cc(CO)cc[nH+]1 ZINC000641498089 362461849 /nfs/dbraw/zinc/46/18/49/362461849.db2.gz UQAVRVLUHONSDJ-LBPRGKRZSA-N 1 2 238.331 1.417 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641497177 362463335 /nfs/dbraw/zinc/46/33/35/362463335.db2.gz QFGJKKCFUISBSM-HPOULIHZSA-N 1 2 210.252 1.382 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC(C1CC1)C1CC1 ZINC000290708409 537853282 /nfs/dbraw/zinc/85/32/82/537853282.db2.gz OBZZCBQPPOXDCK-UHFFFAOYSA-N 1 2 248.330 1.408 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccccn1 ZINC000049235913 344600529 /nfs/dbraw/zinc/60/05/29/344600529.db2.gz YHQQGMWCGYPZMO-JTQLQIEISA-N 1 2 202.261 1.779 20 0 BDADLO CN(c1cc(CO)cc[nH+]1)[C@H]1CC[C@H](O)CC1 ZINC000641523646 362480320 /nfs/dbraw/zinc/48/03/20/362480320.db2.gz RZSWHYVPPROBRG-HAQNSBGRSA-N 1 2 236.315 1.314 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028533 344681173 /nfs/dbraw/zinc/68/11/73/344681173.db2.gz MZYRJDYGBICSNL-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000626028533 344681175 /nfs/dbraw/zinc/68/11/75/344681175.db2.gz MZYRJDYGBICSNL-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](CCF)C2)o1 ZINC000626006010 344664527 /nfs/dbraw/zinc/66/45/27/344664527.db2.gz OZPOBRAAGRTCNT-NSHDSACASA-N 1 2 242.294 1.852 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCO[C@@H](CCF)C2)o1 ZINC000626006010 344664529 /nfs/dbraw/zinc/66/45/29/344664529.db2.gz OZPOBRAAGRTCNT-NSHDSACASA-N 1 2 242.294 1.852 20 0 BDADLO Cn1ccc(C[N@@H+]2CCc3c(O)cccc3C2)n1 ZINC000626028428 344681325 /nfs/dbraw/zinc/68/13/25/344681325.db2.gz JDEMUCSYWMENCB-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1ccc(C[N@H+]2CCc3c(O)cccc3C2)n1 ZINC000626028428 344681327 /nfs/dbraw/zinc/68/13/27/344681327.db2.gz JDEMUCSYWMENCB-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO C[C@@H](CO)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018403 344674265 /nfs/dbraw/zinc/67/42/65/344674265.db2.gz DRJADCQGJBZBAX-VGMNWLOBSA-N 1 2 241.253 1.266 20 0 BDADLO C[C@@H](CO)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018403 344674267 /nfs/dbraw/zinc/67/42/67/344674267.db2.gz DRJADCQGJBZBAX-VGMNWLOBSA-N 1 2 241.253 1.266 20 0 BDADLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000112616384 344647900 /nfs/dbraw/zinc/64/79/00/344647900.db2.gz SNLLOMAOMAQDQA-SNVBAGLBSA-N 1 2 248.317 1.880 20 0 BDADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000112616384 344647904 /nfs/dbraw/zinc/64/79/04/344647904.db2.gz SNLLOMAOMAQDQA-SNVBAGLBSA-N 1 2 248.317 1.880 20 0 BDADLO CCCCS[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114126327 344683753 /nfs/dbraw/zinc/68/37/53/344683753.db2.gz ZCCBNDUAPLQUQM-VIFPVBQESA-N 1 2 241.360 1.948 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1nccc(N)n1 ZINC000578023424 344686603 /nfs/dbraw/zinc/68/66/03/344686603.db2.gz WSZRZGBZAUCKOJ-VHSXEESVSA-N 1 2 243.314 1.696 20 0 BDADLO CC[N@H+](CCO)Cc1csc(C)n1 ZINC000049754510 344687830 /nfs/dbraw/zinc/68/78/30/344687830.db2.gz XIILGPNBIBIGMH-UHFFFAOYSA-N 1 2 200.307 1.266 20 0 BDADLO CC[N@@H+](CCO)Cc1csc(C)n1 ZINC000049754510 344687832 /nfs/dbraw/zinc/68/78/32/344687832.db2.gz XIILGPNBIBIGMH-UHFFFAOYSA-N 1 2 200.307 1.266 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC1CCC1 ZINC000487277089 530026082 /nfs/dbraw/zinc/02/60/82/530026082.db2.gz RHOHRCAGLHBLCO-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO C[C@H]1CCCN1C(=O)CC[N@H+](C)CC(F)F ZINC000075715030 344777272 /nfs/dbraw/zinc/77/72/72/344777272.db2.gz CDOIDAXGJAEXSR-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC(F)F ZINC000075715030 344777273 /nfs/dbraw/zinc/77/72/73/344777273.db2.gz CDOIDAXGJAEXSR-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC(F)F ZINC000075715029 344777279 /nfs/dbraw/zinc/77/72/79/344777279.db2.gz CDOIDAXGJAEXSR-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC(F)F ZINC000075715029 344777281 /nfs/dbraw/zinc/77/72/81/344777281.db2.gz CDOIDAXGJAEXSR-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075557203 344779039 /nfs/dbraw/zinc/77/90/39/344779039.db2.gz OKHPPVQPWPDUSL-WDEREUQCSA-N 1 2 249.314 1.295 20 0 BDADLO CCC1(O)CC[NH+](Cc2noc(C)n2)CC1 ZINC000075858547 344785457 /nfs/dbraw/zinc/78/54/57/344785457.db2.gz OOWKQZGFCWDHKW-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc[nH]1 ZINC000075848628 344785576 /nfs/dbraw/zinc/78/55/76/344785576.db2.gz CSQQOFDTTOAFSY-VIFPVBQESA-N 1 2 218.260 1.030 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000075899381 344787816 /nfs/dbraw/zinc/78/78/16/344787816.db2.gz BQEAQBGLUDVLNW-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000075899381 344787818 /nfs/dbraw/zinc/78/78/18/344787818.db2.gz BQEAQBGLUDVLNW-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000623040185 347079951 /nfs/dbraw/zinc/07/99/51/347079951.db2.gz MLWSXICVVQEEAL-KIDURHIOSA-N 1 2 247.342 1.686 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC=CC1 ZINC000076958794 344811086 /nfs/dbraw/zinc/81/10/86/344811086.db2.gz QNSIPORDSSSONC-JTQLQIEISA-N 1 2 219.288 1.354 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)C1CC=CC1 ZINC000076941525 344811241 /nfs/dbraw/zinc/81/12/41/344811241.db2.gz HGQYCASSGFSHHB-UHFFFAOYSA-N 1 2 241.294 1.917 20 0 BDADLO Cc1nnc(C[N@H+](C)C(C)(C)CO)s1 ZINC000678624474 488273521 /nfs/dbraw/zinc/27/35/21/488273521.db2.gz CWXWXWCXDFPCMH-UHFFFAOYSA-N 1 2 215.322 1.049 20 0 BDADLO CCc1cc(NC[C@@H]2CC[C@H](O)C2)nc[nH+]1 ZINC000234166560 537863916 /nfs/dbraw/zinc/86/39/16/537863916.db2.gz BSMCQIOKZCWRMW-KOLCDFICSA-N 1 2 221.304 1.612 20 0 BDADLO Cc1c[nH]c(CN2CCN(CC(F)F)CC2)[nH+]1 ZINC000628156407 344848640 /nfs/dbraw/zinc/84/86/40/344848640.db2.gz NTBHPORCAISFCR-UHFFFAOYSA-N 1 2 244.289 1.101 20 0 BDADLO C[C@H](Nc1cccc[nH+]1)c1cnn(C)c1 ZINC000078307114 344844075 /nfs/dbraw/zinc/84/40/75/344844075.db2.gz YSAULUVLIIFGNE-VIFPVBQESA-N 1 2 202.261 1.988 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C ZINC000583389094 344874618 /nfs/dbraw/zinc/87/46/18/344874618.db2.gz ALMQQYXJWRYCJP-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C ZINC000583389094 344874620 /nfs/dbraw/zinc/87/46/20/344874620.db2.gz ALMQQYXJWRYCJP-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO CN1CC[N@H+](Cc2ccc3[nH]ccc3c2)CC1=O ZINC000628177856 344906969 /nfs/dbraw/zinc/90/69/69/344906969.db2.gz QPPXDCZGLMLPIQ-UHFFFAOYSA-N 1 2 243.310 1.442 20 0 BDADLO CN1CC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1=O ZINC000628177856 344906971 /nfs/dbraw/zinc/90/69/71/344906971.db2.gz QPPXDCZGLMLPIQ-UHFFFAOYSA-N 1 2 243.310 1.442 20 0 BDADLO CO[C@H]1CCN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628178310 344909894 /nfs/dbraw/zinc/90/98/94/344909894.db2.gz LMEBBTCRBXWNJI-JTQLQIEISA-N 1 2 209.293 1.247 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccn1C ZINC000078963371 344926132 /nfs/dbraw/zinc/92/61/32/344926132.db2.gz DUNIQJWSPZOWCQ-JTQLQIEISA-N 1 2 232.287 1.040 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C(F)(F)F)C2)[nH+]1 ZINC000628181057 344919336 /nfs/dbraw/zinc/91/93/36/344919336.db2.gz OMUVZVHSPCRMRH-QMMMGPOBSA-N 1 2 249.236 1.481 20 0 BDADLO CCc1cc(C[NH2+]Cc2cnc(C)o2)on1 ZINC000628198697 344962113 /nfs/dbraw/zinc/96/21/13/344962113.db2.gz IAWFBNXPPSXGSM-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO C[C@@H]1C(=O)NCCN1c1cc2ccccc2c[nH+]1 ZINC000631149002 344941191 /nfs/dbraw/zinc/94/11/91/344941191.db2.gz HQRZUKGUBAVGBI-SNVBAGLBSA-N 1 2 241.294 1.560 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@]3(C2)CCCOC3)c1 ZINC000641561915 362502592 /nfs/dbraw/zinc/50/25/92/362502592.db2.gz GKIQWBFAPLUFSV-AWEZNQCLSA-N 1 2 248.326 1.581 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCCOCC2)[nH+]1 ZINC000433797492 537885206 /nfs/dbraw/zinc/88/52/06/537885206.db2.gz AKQAGMHEMPIMQC-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(C2CC2)ncn1 ZINC000641617018 362549927 /nfs/dbraw/zinc/54/99/27/362549927.db2.gz XTOWMPUIODBXOX-UHFFFAOYSA-N 1 2 243.314 1.604 20 0 BDADLO CC[C@@H](Nc1cc(CO)cc[nH+]1)[C@H](C)O ZINC000641620991 362553144 /nfs/dbraw/zinc/55/31/44/362553144.db2.gz KAQWPKLNMCTVQN-WCBMZHEXSA-N 1 2 210.277 1.145 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)C(F)(F)F ZINC000080006063 345078532 /nfs/dbraw/zinc/07/85/32/345078532.db2.gz UAPJFVWTDKIHAP-ZCFIWIBFSA-N 1 2 235.209 1.235 20 0 BDADLO C[C@H]1CSC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641592031 362534862 /nfs/dbraw/zinc/53/48/62/362534862.db2.gz IFENBTSATZPZIH-WPRPVWTQSA-N 1 2 224.329 1.737 20 0 BDADLO CC(C)[C@H](CO)CNc1cc[nH+]cc1F ZINC000641603039 362540575 /nfs/dbraw/zinc/54/05/75/362540575.db2.gz AHXVFXOCLDGPLN-VIFPVBQESA-N 1 2 212.268 1.319 20 0 BDADLO COc1cc[nH+]cc1CNc1ncncc1C ZINC000641608373 362543419 /nfs/dbraw/zinc/54/34/19/362543419.db2.gz HMEHJJBNZAOHGH-UHFFFAOYSA-N 1 2 230.271 1.223 20 0 BDADLO C[C@H](CCO)CCNc1cc[nH+]cc1F ZINC000641613954 362546237 /nfs/dbraw/zinc/54/62/37/362546237.db2.gz UIFWPJPJAKLKBM-VIFPVBQESA-N 1 2 212.268 1.463 20 0 BDADLO C[C@@H]1SCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641647138 362573450 /nfs/dbraw/zinc/57/34/50/362573450.db2.gz PRVJNDBGDIVAEM-WPRPVWTQSA-N 1 2 224.329 1.880 20 0 BDADLO CC[C@@H](C)C[C@H](CO)Nc1cc[nH+]cc1F ZINC000641646544 362574126 /nfs/dbraw/zinc/57/41/26/362574126.db2.gz UREMSVKWFGBKOX-NXEZZACHSA-N 1 2 226.295 1.852 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)nc1 ZINC000156055013 345122134 /nfs/dbraw/zinc/12/21/34/345122134.db2.gz GXDLPAZQQFQFRC-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)nc1 ZINC000156055013 345122136 /nfs/dbraw/zinc/12/21/36/345122136.db2.gz GXDLPAZQQFQFRC-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO CCC[C@@H](C)[C@H](CO)Nc1cc[nH+]cc1F ZINC000641649834 362577299 /nfs/dbraw/zinc/57/72/99/362577299.db2.gz LOWDPKABWPCGDU-SKDRFNHKSA-N 1 2 226.295 1.852 20 0 BDADLO Cc1cnc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000080137436 345104174 /nfs/dbraw/zinc/10/41/74/345104174.db2.gz QUBYMFIMJBUVSJ-QMMMGPOBSA-N 1 2 249.274 1.390 20 0 BDADLO Cc1c[nH+]c(CCNc2ncncc2C)c(C)c1 ZINC000641655754 362580103 /nfs/dbraw/zinc/58/01/03/362580103.db2.gz XWSDHYZBLBAJNH-UHFFFAOYSA-N 1 2 242.326 1.873 20 0 BDADLO C[C@@H]1CC[C@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641627322 362556429 /nfs/dbraw/zinc/55/64/29/362556429.db2.gz MUGXPFRCNDZOSJ-MWLCHTKSSA-N 1 2 222.288 1.553 20 0 BDADLO Cn1c[nH+]c(CCNc2cc(C3CC3)ncn2)c1 ZINC000641626914 362556447 /nfs/dbraw/zinc/55/64/47/362556447.db2.gz HOZPEGZTMWOSRI-UHFFFAOYSA-N 1 2 243.314 1.164 20 0 BDADLO COCC[C@H](C)CNc1cc[nH+]cc1F ZINC000641630998 362561821 /nfs/dbraw/zinc/56/18/21/362561821.db2.gz BPJJOBZBUTUMQL-VIFPVBQESA-N 1 2 212.268 1.727 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3C[C@H]2CS3)c1 ZINC000641631068 362563122 /nfs/dbraw/zinc/56/31/22/362563122.db2.gz XQYWFQRBSWVGPI-UWVGGRQHSA-N 1 2 222.313 1.268 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]cc2F)CS1 ZINC000641631322 362563353 /nfs/dbraw/zinc/56/33/53/362563353.db2.gz HXAKRVBVFFUPSG-SFYZADRCSA-N 1 2 212.293 1.949 20 0 BDADLO CON1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641638550 362566448 /nfs/dbraw/zinc/56/64/48/362566448.db2.gz XYCFGUVAQQHUFP-UHFFFAOYSA-N 1 2 237.303 1.012 20 0 BDADLO C[C@@H]1C[C@@H](CO)CN(c2cc[nH+]cc2F)C1 ZINC000641639549 362567232 /nfs/dbraw/zinc/56/72/32/362567232.db2.gz IWCAOJGUAOQEPB-NXEZZACHSA-N 1 2 224.279 1.675 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000127137096 345158949 /nfs/dbraw/zinc/15/89/49/345158949.db2.gz LQHOXKYZIPQBTJ-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000127137096 345158950 /nfs/dbraw/zinc/15/89/50/345158950.db2.gz LQHOXKYZIPQBTJ-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC1(C)C ZINC000561768346 345229800 /nfs/dbraw/zinc/22/98/00/345229800.db2.gz KNIFOUSKYXCWDC-SNVBAGLBSA-N 1 2 221.304 1.267 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)[C@@H](C)C2CC2)[nH+]1 ZINC000635189766 345269031 /nfs/dbraw/zinc/26/90/31/345269031.db2.gz ZSEPBVLIDYKZHU-VIFPVBQESA-N 1 2 235.331 1.772 20 0 BDADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000635217474 345274684 /nfs/dbraw/zinc/27/46/84/345274684.db2.gz RFRSQGUUZKEVIS-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC000635217474 345274685 /nfs/dbraw/zinc/27/46/85/345274685.db2.gz RFRSQGUUZKEVIS-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO C[C@@H]1CCC[C@@H](CNc2cc(CO)cc[nH+]2)O1 ZINC000641658455 362583082 /nfs/dbraw/zinc/58/30/82/362583082.db2.gz GGRWFTGFAXTAIY-PWSUYJOCSA-N 1 2 236.315 1.943 20 0 BDADLO CCCCC[N@H+](CCO)Cc1nnc(CC)[nH]1 ZINC000158536169 345346407 /nfs/dbraw/zinc/34/64/07/345346407.db2.gz KETBFTNSBFXQHA-UHFFFAOYSA-N 1 2 240.351 1.352 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1nnc(CC)[nH]1 ZINC000158536169 345346409 /nfs/dbraw/zinc/34/64/09/345346409.db2.gz KETBFTNSBFXQHA-UHFFFAOYSA-N 1 2 240.351 1.352 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427990649 345359241 /nfs/dbraw/zinc/35/92/41/345359241.db2.gz IWGDWTAWAXOVHW-QJPTWQEYSA-N 1 2 249.358 1.996 20 0 BDADLO CCC(=O)N1CCN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000425273403 192087469 /nfs/dbraw/zinc/08/74/69/192087469.db2.gz IYHSNOOZKXIJFS-UHFFFAOYSA-N 1 2 248.330 1.364 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC[C@@H](C)OC)[nH+]1 ZINC000635474825 345386370 /nfs/dbraw/zinc/38/63/70/345386370.db2.gz CXXJQLOIMVTDGG-SECBINFHSA-N 1 2 239.319 1.056 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)CC(F)F)[nH+]1 ZINC000635510311 345407511 /nfs/dbraw/zinc/40/75/11/345407511.db2.gz ICGKHANJNTZJSV-UHFFFAOYSA-N 1 2 231.246 1.238 20 0 BDADLO CC(C)CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000134742944 345420731 /nfs/dbraw/zinc/42/07/31/345420731.db2.gz LNWSRZLCPKSEGT-UHFFFAOYSA-N 1 2 238.335 1.571 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2ccnn2C)[nH+]1 ZINC000080946833 345454017 /nfs/dbraw/zinc/45/40/17/345454017.db2.gz GULWIMFMYXOXCG-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO CC[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000080762132 345449291 /nfs/dbraw/zinc/44/92/91/345449291.db2.gz JSYJCQJMZPUJCC-VIFPVBQESA-N 1 2 223.320 1.957 20 0 BDADLO CC[N@H+](Cc1cc(C(C)=O)no1)C1CC1 ZINC000562478702 345396422 /nfs/dbraw/zinc/39/64/22/345396422.db2.gz MRTUSIZQXREUIG-UHFFFAOYSA-N 1 2 208.261 1.862 20 0 BDADLO CC[N@@H+](Cc1cc(C(C)=O)no1)C1CC1 ZINC000562478702 345396425 /nfs/dbraw/zinc/39/64/25/345396425.db2.gz MRTUSIZQXREUIG-UHFFFAOYSA-N 1 2 208.261 1.862 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000635493610 345397775 /nfs/dbraw/zinc/39/77/75/345397775.db2.gz CICFQHFBGVWJOU-NXEZZACHSA-N 1 2 243.270 1.250 20 0 BDADLO Cc1ncc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000635493610 345397778 /nfs/dbraw/zinc/39/77/78/345397778.db2.gz CICFQHFBGVWJOU-NXEZZACHSA-N 1 2 243.270 1.250 20 0 BDADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@H](C)C1O ZINC000641660064 362586750 /nfs/dbraw/zinc/58/67/50/362586750.db2.gz VWLJNFOKVVNGAQ-IUCAKERBSA-N 1 2 224.279 1.674 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@H]2COC[C@H]2C1 ZINC000641667002 362588538 /nfs/dbraw/zinc/58/85/38/362588538.db2.gz OOADXHMRYOSQFO-VHSXEESVSA-N 1 2 222.263 1.693 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC(C)(C)C2)n1C ZINC000083415060 345505770 /nfs/dbraw/zinc/50/57/70/345505770.db2.gz AHZUXFNMPFBIGJ-UHFFFAOYSA-N 1 2 240.376 1.451 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC(C)(C)C2)n1C ZINC000083415060 345505771 /nfs/dbraw/zinc/50/57/71/345505771.db2.gz AHZUXFNMPFBIGJ-UHFFFAOYSA-N 1 2 240.376 1.451 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2nccn2C)[nH+]1 ZINC000080980026 345457372 /nfs/dbraw/zinc/45/73/72/345457372.db2.gz KIHREBBIMJXPKP-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@H]2CO)[nH+]1 ZINC000080980217 345457445 /nfs/dbraw/zinc/45/74/45/345457445.db2.gz AGQBWWPRZBTQLH-VIFPVBQESA-N 1 2 232.287 1.227 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCC[C@@H]2O)[nH+]1 ZINC000081005621 345460941 /nfs/dbraw/zinc/46/09/41/345460941.db2.gz BHAVMFKKWHUSKE-KOLCDFICSA-N 1 2 246.314 1.839 20 0 BDADLO CCC[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000081256075 345466672 /nfs/dbraw/zinc/46/66/72/345466672.db2.gz PFBHYVPXVMNEKQ-JTQLQIEISA-N 1 2 209.293 1.530 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NN1CCCCC1 ZINC000089343720 345553587 /nfs/dbraw/zinc/55/35/87/345553587.db2.gz ORSCNHNVJFRSBP-VOTSOKGWSA-N 1 2 248.330 1.433 20 0 BDADLO Cc1cnc(NCCCn2cc[nH+]c2)nc1C ZINC000091424660 345592494 /nfs/dbraw/zinc/59/24/94/345592494.db2.gz JRZBFLWCLAAIER-UHFFFAOYSA-N 1 2 231.303 1.792 20 0 BDADLO CC[C@H]1CCCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580807 345598475 /nfs/dbraw/zinc/59/84/75/345598475.db2.gz WLLMRBYPEWLWMG-VIFPVBQESA-N 1 2 224.308 1.253 20 0 BDADLO CC[C@H]1CCCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091580807 345598477 /nfs/dbraw/zinc/59/84/77/345598477.db2.gz WLLMRBYPEWLWMG-VIFPVBQESA-N 1 2 224.308 1.253 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091587586 345599489 /nfs/dbraw/zinc/59/94/89/345599489.db2.gz JTZLZPIXYMSHBH-NSHDSACASA-N 1 2 224.308 1.110 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091587586 345599491 /nfs/dbraw/zinc/59/94/91/345599491.db2.gz JTZLZPIXYMSHBH-NSHDSACASA-N 1 2 224.308 1.110 20 0 BDADLO C[S@](=O)C1(CNc2cc[nH+]cc2F)CCC1 ZINC000603366927 349933731 /nfs/dbraw/zinc/93/37/31/349933731.db2.gz OKIWETMZRQQDNB-INIZCTEOSA-N 1 2 242.319 1.356 20 0 BDADLO O[C@@]12C[C@@H]1CN(c1cc3ccccc3c[nH+]1)C2 ZINC000641711439 362620870 /nfs/dbraw/zinc/62/08/70/362620870.db2.gz IWPSZESTJQVVIT-TZMCWYRMSA-N 1 2 226.279 1.806 20 0 BDADLO CCOc1ccn(Cc2c[nH+]ccc2OC)n1 ZINC000641729523 362643295 /nfs/dbraw/zinc/64/32/95/362643295.db2.gz FPRMWHFOVWZYPU-UHFFFAOYSA-N 1 2 233.271 1.734 20 0 BDADLO CCCn1cc[nH+]c1CN1CCOCC1 ZINC000641727366 362646946 /nfs/dbraw/zinc/64/69/46/362646946.db2.gz YCKFDJIDDYDFKR-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO COc1cnn(Cc2ccc[nH+]c2C)c1 ZINC000641728666 362648760 /nfs/dbraw/zinc/64/87/60/362648760.db2.gz FHOYEOINYAHVGX-UHFFFAOYSA-N 1 2 203.245 1.643 20 0 BDADLO NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000215661502 345742914 /nfs/dbraw/zinc/74/29/14/345742914.db2.gz ZNRXKGDAFCLGRZ-NSHDSACASA-N 1 2 236.340 1.262 20 0 BDADLO NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000215661502 345742917 /nfs/dbraw/zinc/74/29/17/345742917.db2.gz ZNRXKGDAFCLGRZ-NSHDSACASA-N 1 2 236.340 1.262 20 0 BDADLO Cc1cc(C[NH+]2CCN(C)CC2)ccn1 ZINC000148468192 345719048 /nfs/dbraw/zinc/71/90/48/345719048.db2.gz BXUFCELCFNKWEY-UHFFFAOYSA-N 1 2 205.305 1.137 20 0 BDADLO Cc1cc(C[NH2+]Cc2oc(C)nc2C)no1 ZINC000628209725 345808792 /nfs/dbraw/zinc/80/87/92/345808792.db2.gz QPTGENVJAIWSMP-UHFFFAOYSA-N 1 2 221.260 1.878 20 0 BDADLO C[C@@H](NC(=O)COc1ccccc1)c1[nH]cc[nH+]1 ZINC000140877926 345824661 /nfs/dbraw/zinc/82/46/61/345824661.db2.gz MUXXHHNTFQSCAV-SNVBAGLBSA-N 1 2 245.282 1.666 20 0 BDADLO c1nc(NC[C@H]2CC23CC3)cc(NCC2CC2)[nH+]1 ZINC000418986054 192091971 /nfs/dbraw/zinc/09/19/71/192091971.db2.gz FZFIJWZCZZTUAN-LLVKDONJSA-N 1 2 244.342 1.932 20 0 BDADLO c1nc(NCC2CC2)cc(NC[C@H]2CC23CC3)[nH+]1 ZINC000418986054 192091972 /nfs/dbraw/zinc/09/19/72/192091972.db2.gz FZFIJWZCZZTUAN-LLVKDONJSA-N 1 2 244.342 1.932 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)NC(C)C)s1 ZINC000394735051 323096456 /nfs/dbraw/zinc/09/64/56/323096456.db2.gz VFENLMHOBKIFHC-VIFPVBQESA-N 1 2 241.360 1.454 20 0 BDADLO O=C(N[C@@H]1CCSC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635617846 345895597 /nfs/dbraw/zinc/89/55/97/345895597.db2.gz MABMCWNMUOKRKM-IWSPIJDZSA-N 1 2 237.328 1.135 20 0 BDADLO O=C(N[C@@H]1CCSC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635617846 345895600 /nfs/dbraw/zinc/89/56/00/345895600.db2.gz MABMCWNMUOKRKM-IWSPIJDZSA-N 1 2 237.328 1.135 20 0 BDADLO C[C@H]1C[C@H](C)CN(c2cc(N)nc[nH+]2)C1 ZINC000082427773 345909303 /nfs/dbraw/zinc/90/93/03/345909303.db2.gz VCFASFMRUIHMQN-IUCAKERBSA-N 1 2 206.293 1.541 20 0 BDADLO CNc1cc(N2CCC(C)CC2)nc[nH+]1 ZINC000087805675 345941092 /nfs/dbraw/zinc/94/10/92/345941092.db2.gz JVGVJZWAUJKKDW-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CNc1cc(N2CCC(C)CC2)[nH+]cn1 ZINC000087805675 345941095 /nfs/dbraw/zinc/94/10/95/345941095.db2.gz JVGVJZWAUJKKDW-UHFFFAOYSA-N 1 2 206.293 1.755 20 0 BDADLO CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000087806338 345942426 /nfs/dbraw/zinc/94/24/26/345942426.db2.gz UFLCLKGYFQWWMT-UHFFFAOYSA-N 1 2 210.306 1.072 20 0 BDADLO CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000087806338 345942428 /nfs/dbraw/zinc/94/24/28/345942428.db2.gz UFLCLKGYFQWWMT-UHFFFAOYSA-N 1 2 210.306 1.072 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000623081789 345944292 /nfs/dbraw/zinc/94/42/92/345944292.db2.gz FOXKLOYYUOAUCN-JGVFFNPUSA-N 1 2 206.245 1.685 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cnn(C)c2C)[nH+]1 ZINC000635676924 345971688 /nfs/dbraw/zinc/97/16/88/345971688.db2.gz OAHDCUZYPLSSLE-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO CCc1cc(NC[C@@H]2CC[C@@H](O)C2)nc[nH+]1 ZINC000234166485 537929482 /nfs/dbraw/zinc/92/94/82/537929482.db2.gz BSMCQIOKZCWRMW-MWLCHTKSSA-N 1 2 221.304 1.612 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2ncccc2O)[nH+]1 ZINC000635791103 346070692 /nfs/dbraw/zinc/07/06/92/346070692.db2.gz MLCCGRQAVWYSIU-UHFFFAOYSA-N 1 2 246.270 1.254 20 0 BDADLO CC[C@H](NC(=O)c1coc(CO)c1)c1[nH]cc[nH+]1 ZINC000635805996 346072654 /nfs/dbraw/zinc/07/26/54/346072654.db2.gz DKCCGCFCAPMKBT-JTQLQIEISA-N 1 2 249.270 1.376 20 0 BDADLO CCOC[C@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635822530 346078097 /nfs/dbraw/zinc/07/80/97/346078097.db2.gz XLDMKGZWXVVDTJ-VIFPVBQESA-N 1 2 239.319 1.056 20 0 BDADLO COc1ccc(C[NH2+]C(CF)CF)cc1O ZINC000449373855 201888391 /nfs/dbraw/zinc/88/83/91/201888391.db2.gz VADKSXPREXECMV-UHFFFAOYSA-N 1 2 231.242 1.798 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CC(F)(F)C2)[nH+]1 ZINC000635855163 346091991 /nfs/dbraw/zinc/09/19/91/346091991.db2.gz KGLKKUPZAJLGKW-UHFFFAOYSA-N 1 2 243.257 1.429 20 0 BDADLO CCc1c[nH]c(CC(=O)N2[C@H](C)C[C@H]2C)[nH+]1 ZINC000635875907 346095782 /nfs/dbraw/zinc/09/57/82/346095782.db2.gz RNPUHXPVMRONSA-RKDXNWHRSA-N 1 2 221.304 1.524 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H](O)C1 ZINC000635880406 346100393 /nfs/dbraw/zinc/10/03/93/346100393.db2.gz QIRZPIQYBDZNGA-WAAGHKOSSA-N 1 2 231.255 1.044 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCCC1 ZINC000565430979 323106740 /nfs/dbraw/zinc/10/67/40/323106740.db2.gz GUOLWZZAMPMTHS-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCCC1 ZINC000565430979 323106741 /nfs/dbraw/zinc/10/67/41/323106741.db2.gz GUOLWZZAMPMTHS-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO O=C(Nc1ccc(=O)[nH]c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635946339 346119421 /nfs/dbraw/zinc/11/94/21/346119421.db2.gz PWVJSAHREXRIGG-RKDXNWHRSA-N 1 2 244.254 1.253 20 0 BDADLO O=C(Nc1ccc(=O)[nH]c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635946339 346119422 /nfs/dbraw/zinc/11/94/22/346119422.db2.gz PWVJSAHREXRIGG-RKDXNWHRSA-N 1 2 244.254 1.253 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635982175 346146773 /nfs/dbraw/zinc/14/67/73/346146773.db2.gz DCQPUWFBIZLHST-HWKXXFMVSA-N 1 2 219.288 1.596 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635982175 346146776 /nfs/dbraw/zinc/14/67/76/346146776.db2.gz DCQPUWFBIZLHST-HWKXXFMVSA-N 1 2 219.288 1.596 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587044894 346177458 /nfs/dbraw/zinc/17/74/58/346177458.db2.gz BILCHQLDRVVNHI-DTWKUNHWSA-N 1 2 239.344 1.066 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(CC)C2)[nH+]1 ZINC000636013941 346155292 /nfs/dbraw/zinc/15/52/92/346155292.db2.gz BKGTYQWKXWIBNI-UHFFFAOYSA-N 1 2 221.304 1.383 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)O1 ZINC000636015721 346156804 /nfs/dbraw/zinc/15/68/04/346156804.db2.gz NSZPRNFSVFFENW-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)O1 ZINC000636015721 346156806 /nfs/dbraw/zinc/15/68/06/346156806.db2.gz NSZPRNFSVFFENW-GWOFURMSSA-N 1 2 249.314 1.197 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000628238884 346198741 /nfs/dbraw/zinc/19/87/41/346198741.db2.gz RUFIYWZJGRYORF-UHFFFAOYSA-N 1 2 235.331 1.721 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000628238884 346198742 /nfs/dbraw/zinc/19/87/42/346198742.db2.gz RUFIYWZJGRYORF-UHFFFAOYSA-N 1 2 235.331 1.721 20 0 BDADLO Cc1[nH]c(CN2CCC(C)(CO)CC2)[nH+]c1C ZINC000628239233 346199978 /nfs/dbraw/zinc/19/99/78/346199978.db2.gz IMLPCTHRWVLLAV-UHFFFAOYSA-N 1 2 237.347 1.621 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628244498 346207119 /nfs/dbraw/zinc/20/71/19/346207119.db2.gz JLHFCMMZBIOSKO-SKDRFNHKSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628244498 346207122 /nfs/dbraw/zinc/20/71/22/346207122.db2.gz JLHFCMMZBIOSKO-SKDRFNHKSA-N 1 2 240.303 1.219 20 0 BDADLO CCc1cc(NC[C@@H](O)C2CCCCC2)nc[nH+]1 ZINC000603390064 349942820 /nfs/dbraw/zinc/94/28/20/349942820.db2.gz ABNSLRUESBBDGN-CYBMUJFWSA-N 1 2 249.358 1.814 20 0 BDADLO O=C(C[NH2+]Cc1cnc(C2CC2)o1)NCC1CC1 ZINC000628234597 346187930 /nfs/dbraw/zinc/18/79/30/346187930.db2.gz GQCAVEQNPGVDBN-UHFFFAOYSA-N 1 2 249.314 1.168 20 0 BDADLO CCc1cc(N(C)CCn2cccn2)nc[nH+]1 ZINC000603393224 349944625 /nfs/dbraw/zinc/94/46/25/349944625.db2.gz DOQRUKDEULRTKW-UHFFFAOYSA-N 1 2 231.303 1.372 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1=CCCC1)C(C)C ZINC000401121518 346235891 /nfs/dbraw/zinc/23/58/91/346235891.db2.gz NWGMDWSWPXLBPP-NSHDSACASA-N 1 2 211.305 1.884 20 0 BDADLO Cc1[nH]c(CN2CCn3cnnc3[C@@H]2C)[nH+]c1C ZINC000628251487 346221855 /nfs/dbraw/zinc/22/18/55/346221855.db2.gz IRLOBRPRWNFIJW-JTQLQIEISA-N 1 2 246.318 1.195 20 0 BDADLO Cc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000290946842 179012375 /nfs/dbraw/zinc/01/23/75/179012375.db2.gz PIHJNIZISOYCMA-UHFFFAOYSA-N 1 2 241.294 1.848 20 0 BDADLO FC(F)[C@@H]1CCN(c2cccc[nH+]2)CCO1 ZINC000631483460 346250855 /nfs/dbraw/zinc/25/08/55/346250855.db2.gz LMRVTBZMKUVWQB-VIFPVBQESA-N 1 2 228.242 1.942 20 0 BDADLO Cc1cccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000043579817 179015740 /nfs/dbraw/zinc/01/57/40/179015740.db2.gz RLEZDRFZILULEM-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000628265204 346266217 /nfs/dbraw/zinc/26/62/17/346266217.db2.gz UWOKVLCQHHFXEO-QMMMGPOBSA-N 1 2 231.246 1.532 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000628265204 346266219 /nfs/dbraw/zinc/26/62/19/346266219.db2.gz UWOKVLCQHHFXEO-QMMMGPOBSA-N 1 2 231.246 1.532 20 0 BDADLO Cc1c[nH]c(CN2CC[C@H](OC(F)F)C2)[nH+]1 ZINC000628265204 346266221 /nfs/dbraw/zinc/26/62/21/346266221.db2.gz UWOKVLCQHHFXEO-QMMMGPOBSA-N 1 2 231.246 1.532 20 0 BDADLO C/C=C/C[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000626163363 346275228 /nfs/dbraw/zinc/27/52/28/346275228.db2.gz JBZRVHUREORRMS-VUDBWIFFSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000626163363 346275231 /nfs/dbraw/zinc/27/52/31/346275231.db2.gz JBZRVHUREORRMS-VUDBWIFFSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000626163363 346275234 /nfs/dbraw/zinc/27/52/34/346275234.db2.gz JBZRVHUREORRMS-VUDBWIFFSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000626163363 346275237 /nfs/dbraw/zinc/27/52/37/346275237.db2.gz JBZRVHUREORRMS-VUDBWIFFSA-N 1 2 220.320 1.983 20 0 BDADLO C/C=C/C[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000626163363 346275238 /nfs/dbraw/zinc/27/52/38/346275238.db2.gz JBZRVHUREORRMS-VUDBWIFFSA-N 1 2 220.320 1.983 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1F ZINC000120475987 179020119 /nfs/dbraw/zinc/02/01/19/179020119.db2.gz URMNJQXTNRCWQO-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO CSc1ccc(C[NH2+]Cc2cn(C)nn2)o1 ZINC000641748194 362675763 /nfs/dbraw/zinc/67/57/63/362675763.db2.gz USHGHRVJCDXOJZ-UHFFFAOYSA-N 1 2 238.316 1.420 20 0 BDADLO Cc1cn2ccc(C(=O)N[C@@H]3CC34CC4)cc2[nH+]1 ZINC000636055962 346303142 /nfs/dbraw/zinc/30/31/42/346303142.db2.gz GIFJGCOISJYGJF-LLVKDONJSA-N 1 2 241.294 1.925 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2ccncc2N)n1 ZINC000641753314 362678514 /nfs/dbraw/zinc/67/85/14/362678514.db2.gz GJGGLUMPSADASA-UHFFFAOYSA-N 1 2 247.302 1.380 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccncc2N)s1 ZINC000641754555 362682662 /nfs/dbraw/zinc/68/26/62/362682662.db2.gz DPNJGXDZEUBKLG-UHFFFAOYSA-N 1 2 249.343 1.368 20 0 BDADLO CC[C@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534325695 323116737 /nfs/dbraw/zinc/11/67/37/323116737.db2.gz ZHBPUHXNJVDGMV-SNVBAGLBSA-N 1 2 237.303 1.013 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332904929 537966121 /nfs/dbraw/zinc/96/61/21/537966121.db2.gz YDDLOSRWOFYLIH-GZMMTYOYSA-N 1 2 248.330 1.365 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332904929 537966130 /nfs/dbraw/zinc/96/61/30/537966130.db2.gz YDDLOSRWOFYLIH-GZMMTYOYSA-N 1 2 248.330 1.365 20 0 BDADLO CC[C@H]([NH2+]Cc1ccncc1N)C(F)F ZINC000641758517 362688040 /nfs/dbraw/zinc/68/80/40/362688040.db2.gz OBOWWDLTMHLFIV-VIFPVBQESA-N 1 2 215.247 1.797 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H](F)C1 ZINC000636127076 346327546 /nfs/dbraw/zinc/32/75/46/346327546.db2.gz CYMWFXJEEVCOQW-IVZWLZJFSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H](F)C1 ZINC000636127076 346327548 /nfs/dbraw/zinc/32/75/48/346327548.db2.gz CYMWFXJEEVCOQW-IVZWLZJFSA-N 1 2 237.278 1.474 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000636112816 346323261 /nfs/dbraw/zinc/32/32/61/346323261.db2.gz RIGMTQREHPGPJM-CKYFFXLPSA-N 1 2 247.342 1.819 20 0 BDADLO COC(=O)C[C@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000401169743 346368162 /nfs/dbraw/zinc/36/81/62/346368162.db2.gz NHYXCWYOYZHMEO-LBPRGKRZSA-N 1 2 239.315 1.361 20 0 BDADLO COC(=O)C[C@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000401169743 346368164 /nfs/dbraw/zinc/36/81/64/346368164.db2.gz NHYXCWYOYZHMEO-LBPRGKRZSA-N 1 2 239.315 1.361 20 0 BDADLO CC(C)(F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636182680 346347055 /nfs/dbraw/zinc/34/70/55/346347055.db2.gz VEMLWKLWMRIJAA-RKDXNWHRSA-N 1 2 239.294 1.768 20 0 BDADLO CC(C)(F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636182680 346347058 /nfs/dbraw/zinc/34/70/58/346347058.db2.gz VEMLWKLWMRIJAA-RKDXNWHRSA-N 1 2 239.294 1.768 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2nn(C)cc2C)[nH+]1 ZINC000636230935 346362575 /nfs/dbraw/zinc/36/25/75/346362575.db2.gz SIHATMAJSMMWEE-UHFFFAOYSA-N 1 2 247.302 1.195 20 0 BDADLO Cc1c[nH]c(CNc2ccc3nc(C)nn3c2)[nH+]1 ZINC000641768276 362706289 /nfs/dbraw/zinc/70/62/89/362706289.db2.gz URTTVPGLYQDMCB-UHFFFAOYSA-N 1 2 242.286 1.681 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC(F)(F)CC)[nH+]1 ZINC000636259292 346372080 /nfs/dbraw/zinc/37/20/80/346372080.db2.gz AMQHOXXGIULWQP-UHFFFAOYSA-N 1 2 245.273 1.676 20 0 BDADLO CCN(CCSC)c1cc(CO)cc[nH+]1 ZINC000603406515 349957018 /nfs/dbraw/zinc/95/70/18/349957018.db2.gz MQYWZTNHZOYRNH-UHFFFAOYSA-N 1 2 226.345 1.763 20 0 BDADLO O=C(N[C@]12C[C@H]1CCCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636312807 346388852 /nfs/dbraw/zinc/38/88/52/346388852.db2.gz FOLHCMYZDSEWGJ-ZHSDAYTOSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(N[C@]12C[C@H]1CCCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636312807 346388854 /nfs/dbraw/zinc/38/88/54/346388854.db2.gz FOLHCMYZDSEWGJ-ZHSDAYTOSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(N[C@@H]1CCCC12CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636302802 346385039 /nfs/dbraw/zinc/38/50/39/346385039.db2.gz KMVINHMIZKCRJJ-CKYFFXLPSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(N[C@@H]1CCCC12CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636302802 346385042 /nfs/dbraw/zinc/38/50/42/346385042.db2.gz KMVINHMIZKCRJJ-CKYFFXLPSA-N 1 2 245.326 1.962 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2ccnn2C)n1 ZINC000353751778 179070435 /nfs/dbraw/zinc/07/04/35/179070435.db2.gz YJXRREXIZYCRAZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2ccnn2C)n1 ZINC000353751778 179070436 /nfs/dbraw/zinc/07/04/36/179070436.db2.gz YJXRREXIZYCRAZ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO OCC1(C[N@@H+]2CCCC[C@@H]2C(F)F)COC1 ZINC000563400145 323122974 /nfs/dbraw/zinc/12/29/74/323122974.db2.gz HFDWTDRKWIBCLH-SECBINFHSA-N 1 2 235.274 1.115 20 0 BDADLO OCC1(C[N@H+]2CCCC[C@@H]2C(F)F)COC1 ZINC000563400145 323122975 /nfs/dbraw/zinc/12/29/75/323122975.db2.gz HFDWTDRKWIBCLH-SECBINFHSA-N 1 2 235.274 1.115 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1CC[S@@](=O)C1 ZINC000563420744 323124149 /nfs/dbraw/zinc/12/41/49/323124149.db2.gz XKEAKHLVDJDQTD-BJOHPYRUSA-N 1 2 225.317 1.026 20 0 BDADLO COC(=O)[C@H]([NH2+]CCSC)C(C)(C)C ZINC000120119797 346428255 /nfs/dbraw/zinc/42/82/55/346428255.db2.gz LRSATOGUUPANIV-QMMMGPOBSA-N 1 2 219.350 1.527 20 0 BDADLO C[C@H]1OCC[C@@]1(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000577089626 365810412 /nfs/dbraw/zinc/81/04/12/365810412.db2.gz AYSFLCQULLMIEA-BXKDBHETSA-N 1 2 237.303 1.026 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC=CCC1 ZINC000684473828 488318995 /nfs/dbraw/zinc/31/89/95/488318995.db2.gz WATOJUZVOVOAMU-UHFFFAOYSA-N 1 2 219.288 1.141 20 0 BDADLO CC[C@H](CNc1nc(C)[nH+]cc1C)OC ZINC000563425350 323126057 /nfs/dbraw/zinc/12/60/57/323126057.db2.gz OKBUZBPPEUYXKX-SNVBAGLBSA-N 1 2 209.293 1.352 20 0 BDADLO CCc1nnc(C[N@H+](C(C)C)[C@@H]2CCOC2)[nH]1 ZINC000361408065 346486427 /nfs/dbraw/zinc/48/64/27/346486427.db2.gz KNYKQUJMJBPZKG-SNVBAGLBSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@@H+](C(C)C)[C@@H]2CCOC2)[nH]1 ZINC000361408065 346486430 /nfs/dbraw/zinc/48/64/30/346486430.db2.gz KNYKQUJMJBPZKG-SNVBAGLBSA-N 1 2 238.335 1.366 20 0 BDADLO Cc1cccc(C[NH2+]Cc2ncn(C)n2)c1 ZINC000092851849 179096725 /nfs/dbraw/zinc/09/67/25/179096725.db2.gz BDMRWKQBNIKDTF-UHFFFAOYSA-N 1 2 216.288 1.413 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1OC2CCC1CC2 ZINC000636405860 346480771 /nfs/dbraw/zinc/48/07/71/346480771.db2.gz SSTVSDTZZGAKEB-UHFFFAOYSA-N 1 2 235.287 1.048 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000332899027 346481222 /nfs/dbraw/zinc/48/12/22/346481222.db2.gz WCHQUNBKVJAXNC-HBNTYKKESA-N 1 2 249.314 1.026 20 0 BDADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ncnn1C ZINC000162547510 346527039 /nfs/dbraw/zinc/52/70/39/346527039.db2.gz BNAYGOZJBCRBIG-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ncnn1C ZINC000162547510 346527042 /nfs/dbraw/zinc/52/70/42/346527042.db2.gz BNAYGOZJBCRBIG-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CCCC[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000300964087 346549745 /nfs/dbraw/zinc/54/97/45/346549745.db2.gz QXXJSAUBRXEEPR-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CCCC[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000300964087 346549747 /nfs/dbraw/zinc/54/97/47/346549747.db2.gz QXXJSAUBRXEEPR-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO C[C@@H](C1CC1)[N@H+](C)Cc1nsc(N(C)C)n1 ZINC000163742901 346575139 /nfs/dbraw/zinc/57/51/39/346575139.db2.gz KMFMZNVQZBANPE-QMMMGPOBSA-N 1 2 240.376 1.834 20 0 BDADLO C[C@@H](C1CC1)[N@@H+](C)Cc1nsc(N(C)C)n1 ZINC000163742901 346575143 /nfs/dbraw/zinc/57/51/43/346575143.db2.gz KMFMZNVQZBANPE-QMMMGPOBSA-N 1 2 240.376 1.834 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000164530364 346608349 /nfs/dbraw/zinc/60/83/49/346608349.db2.gz UQRVQKGFVRFMHM-UHFFFAOYSA-N 1 2 219.292 1.306 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1c(C)noc1C ZINC000165248599 346645975 /nfs/dbraw/zinc/64/59/75/346645975.db2.gz IERQAVPYXQATNH-UHFFFAOYSA-N 1 2 240.303 1.329 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1c(C)noc1C ZINC000165248599 346645977 /nfs/dbraw/zinc/64/59/77/346645977.db2.gz IERQAVPYXQATNH-UHFFFAOYSA-N 1 2 240.303 1.329 20 0 BDADLO CCc1nc(C[NH2+]C2(CO)CCCC2)no1 ZINC000304891654 346656580 /nfs/dbraw/zinc/65/65/80/346656580.db2.gz OENFYXASUSKYIA-UHFFFAOYSA-N 1 2 225.292 1.027 20 0 BDADLO CC[C@@](O)(C[NH+]1CCOCC1)C(F)(F)F ZINC000669379971 537985529 /nfs/dbraw/zinc/98/55/29/537985529.db2.gz NQQKHTNQUVYRFK-MRVPVSSYSA-N 1 2 227.226 1.022 20 0 BDADLO COC(=O)c1coc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000589820545 346739383 /nfs/dbraw/zinc/73/93/83/346739383.db2.gz NZVCUZVPJBZOBK-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO CC(=O)N1CC[C@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000176638156 365857112 /nfs/dbraw/zinc/85/71/12/365857112.db2.gz ISXVWNQFYPUZMR-NSHDSACASA-N 1 2 247.298 1.197 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC12CC2 ZINC000563007872 346793827 /nfs/dbraw/zinc/79/38/27/346793827.db2.gz WVUKBPCPUYXWGB-SECBINFHSA-N 1 2 205.261 1.011 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC12CC2 ZINC000563007872 346793831 /nfs/dbraw/zinc/79/38/31/346793831.db2.gz WVUKBPCPUYXWGB-SECBINFHSA-N 1 2 205.261 1.011 20 0 BDADLO Cc1cccc(OCC[N@H+]2CCN(C)C(=O)C2)c1 ZINC000119513786 179165715 /nfs/dbraw/zinc/16/57/15/179165715.db2.gz SEDWADXSYFPPAM-UHFFFAOYSA-N 1 2 248.326 1.148 20 0 BDADLO Cc1cccc(OCC[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000119513786 179165719 /nfs/dbraw/zinc/16/57/19/179165719.db2.gz SEDWADXSYFPPAM-UHFFFAOYSA-N 1 2 248.326 1.148 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@@H]1C ZINC000641827989 362776225 /nfs/dbraw/zinc/77/62/25/362776225.db2.gz IXPLVBCLWJICPF-VIFPVBQESA-N 1 2 222.292 1.207 20 0 BDADLO Cc1cccc([C@@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000152685495 179182819 /nfs/dbraw/zinc/18/28/19/179182819.db2.gz RGEPXDRAYJWNJI-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO COc1cccc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000186743191 347240851 /nfs/dbraw/zinc/24/08/51/347240851.db2.gz GXSVBRNJRHOQSC-UHFFFAOYSA-N 1 2 245.282 1.610 20 0 BDADLO CCc1cc(NC[C@@](C)(O)C(C)C)nc[nH+]1 ZINC000390223252 347286421 /nfs/dbraw/zinc/28/64/21/347286421.db2.gz ZYGKUYMJEBLBQM-GFCCVEGCSA-N 1 2 223.320 1.280 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2nnc(C3CC3)[nH]2)o1 ZINC000628297751 347259536 /nfs/dbraw/zinc/25/95/36/347259536.db2.gz KCRXCMGQHJUMNB-UHFFFAOYSA-N 1 2 247.302 1.577 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1CC=CCC1 ZINC000679324596 488338251 /nfs/dbraw/zinc/33/82/51/488338251.db2.gz XZCVYFRKDBVLKV-UHFFFAOYSA-N 1 2 220.320 1.696 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1CC=CCC1 ZINC000679324596 488338252 /nfs/dbraw/zinc/33/82/52/488338252.db2.gz XZCVYFRKDBVLKV-UHFFFAOYSA-N 1 2 220.320 1.696 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364284676 347359707 /nfs/dbraw/zinc/35/97/07/347359707.db2.gz TXIWLLNUHJYXRJ-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)(C)C)CC2 ZINC000623720319 347397721 /nfs/dbraw/zinc/39/77/21/347397721.db2.gz CFMGXUHJRXJWKU-JTQLQIEISA-N 1 2 235.331 1.669 20 0 BDADLO COCC(C)(C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921652 347451147 /nfs/dbraw/zinc/45/11/47/347451147.db2.gz YQAOTOHGYZZWSI-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO COCC(C)(C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921652 347451150 /nfs/dbraw/zinc/45/11/50/347451150.db2.gz YQAOTOHGYZZWSI-UHFFFAOYSA-N 1 2 239.319 1.431 20 0 BDADLO CC(=O)CCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922802 347453537 /nfs/dbraw/zinc/45/35/37/347453537.db2.gz KAOQMDMTRDQURV-UHFFFAOYSA-N 1 2 223.276 1.127 20 0 BDADLO CC(=O)CCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922802 347453541 /nfs/dbraw/zinc/45/35/41/347453541.db2.gz KAOQMDMTRDQURV-UHFFFAOYSA-N 1 2 223.276 1.127 20 0 BDADLO O=C(c1ccncc1F)N1CCc2[nH]c[nH+]c2C1 ZINC000396860754 362838548 /nfs/dbraw/zinc/83/85/48/362838548.db2.gz UYZXEEMCVRVSEE-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO O=C(c1ccncc1F)N1CCc2[nH+]c[nH]c2C1 ZINC000396860754 362838551 /nfs/dbraw/zinc/83/85/51/362838551.db2.gz UYZXEEMCVRVSEE-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925246 347456496 /nfs/dbraw/zinc/45/64/96/347456496.db2.gz AMXNBEGOPXHSOX-SECBINFHSA-N 1 2 209.293 1.804 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925246 347456497 /nfs/dbraw/zinc/45/64/97/347456497.db2.gz AMXNBEGOPXHSOX-SECBINFHSA-N 1 2 209.293 1.804 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC(=O)N1 ZINC000628299701 347430009 /nfs/dbraw/zinc/43/00/09/347430009.db2.gz XONZGOHFHABWQD-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CC(=O)N1 ZINC000628299701 347430013 /nfs/dbraw/zinc/43/00/13/347430013.db2.gz XONZGOHFHABWQD-JTQLQIEISA-N 1 2 243.310 1.488 20 0 BDADLO CCO[C@H](CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924620 347456628 /nfs/dbraw/zinc/45/66/28/347456628.db2.gz QDNZMEQXOFRLTC-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO CCO[C@H](CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924620 347456630 /nfs/dbraw/zinc/45/66/30/347456630.db2.gz QDNZMEQXOFRLTC-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO COC[C@](C)([NH2+]C1CCCC1)C(=O)OC ZINC000053199358 347438558 /nfs/dbraw/zinc/43/85/58/347438558.db2.gz QUQPJVCDQKJBFZ-NSHDSACASA-N 1 2 215.293 1.097 20 0 BDADLO Cc1cccc2[nH+]c(CN3CCO[C@@H]4C[C@@H]43)cn21 ZINC000368639793 179229300 /nfs/dbraw/zinc/22/93/00/179229300.db2.gz XVWCPQXYTSIVJK-QWHCGFSZSA-N 1 2 243.310 1.616 20 0 BDADLO Cc1cccc2nc(Cn3cc[nH+]c3)cn21 ZINC000121756461 179229381 /nfs/dbraw/zinc/22/93/81/179229381.db2.gz XJSHKGRRTNALTM-UHFFFAOYSA-N 1 2 212.256 1.888 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590732687 347493605 /nfs/dbraw/zinc/49/36/05/347493605.db2.gz ODABDOSJPGXCCK-GRYCIOLGSA-N 1 2 233.315 1.703 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ocnc1C1CC1 ZINC000616929385 347497446 /nfs/dbraw/zinc/49/74/46/347497446.db2.gz ZWTYGWRLMSLZHG-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ocnc1C1CC1 ZINC000616929385 347497449 /nfs/dbraw/zinc/49/74/49/347497449.db2.gz ZWTYGWRLMSLZHG-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccn(C)c1 ZINC000616926428 347457934 /nfs/dbraw/zinc/45/79/34/347457934.db2.gz BOFCKYBTWPRHER-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccn(C)c1 ZINC000616926428 347457936 /nfs/dbraw/zinc/45/79/36/347457936.db2.gz BOFCKYBTWPRHER-UHFFFAOYSA-N 1 2 218.260 1.020 20 0 BDADLO CCCc1nc(C(=O)N(C)Cc2c[nH+]c[nH]2)co1 ZINC000616927345 347458042 /nfs/dbraw/zinc/45/80/42/347458042.db2.gz FUFASTBIKDKJEW-UHFFFAOYSA-N 1 2 248.286 1.622 20 0 BDADLO CCCc1nc(C(=O)N(C)Cc2c[nH]c[nH+]2)co1 ZINC000616927345 347458045 /nfs/dbraw/zinc/45/80/45/347458045.db2.gz FUFASTBIKDKJEW-UHFFFAOYSA-N 1 2 248.286 1.622 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCSC1 ZINC000616926637 347458618 /nfs/dbraw/zinc/45/86/18/347458618.db2.gz JYWLGWJNKNRVBB-MRVPVSSYSA-N 1 2 225.317 1.121 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCSC1 ZINC000616926637 347458620 /nfs/dbraw/zinc/45/86/20/347458620.db2.gz JYWLGWJNKNRVBB-MRVPVSSYSA-N 1 2 225.317 1.121 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590730376 347497563 /nfs/dbraw/zinc/49/75/63/347497563.db2.gz IWRGHIRFXIMBDB-RYUDHWBXSA-N 1 2 249.314 1.226 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCOCC1CC1 ZINC000616926837 347459918 /nfs/dbraw/zinc/45/99/18/347459918.db2.gz RPXHYUDPRMCHSS-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCOCC1CC1 ZINC000616926837 347459920 /nfs/dbraw/zinc/45/99/20/347459920.db2.gz RPXHYUDPRMCHSS-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccc(C)cn1 ZINC000590754362 347505415 /nfs/dbraw/zinc/50/54/15/347505415.db2.gz ALZVZGPCQRINQV-ZDUSSCGKSA-N 1 2 248.326 1.773 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754362 347505417 /nfs/dbraw/zinc/50/54/17/347505417.db2.gz ALZVZGPCQRINQV-ZDUSSCGKSA-N 1 2 248.326 1.773 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)c(C)[nH]1 ZINC000590737280 347501540 /nfs/dbraw/zinc/50/15/40/347501540.db2.gz IKHNFYRCUSSPJY-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]C1CSC1 ZINC000591263389 347636225 /nfs/dbraw/zinc/63/62/25/347636225.db2.gz NMDXWONKQQNUKY-VIFPVBQESA-N 1 2 215.318 1.033 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+]C1CSC1)C(=O)OC ZINC000592517650 347794347 /nfs/dbraw/zinc/79/43/47/347794347.db2.gz ZUWCLQZIARICGS-WCBMZHEXSA-N 1 2 231.361 1.669 20 0 BDADLO CC[C@@H](C)C[C@H]([NH2+]C1CSC1)C(=O)OC ZINC000592517649 347794362 /nfs/dbraw/zinc/79/43/62/347794362.db2.gz ZUWCLQZIARICGS-SCZZXKLOSA-N 1 2 231.361 1.669 20 0 BDADLO CC[C@H]([NH2+]C1CSC1)C(=O)OC(C)(C)C ZINC000592528537 347795656 /nfs/dbraw/zinc/79/56/56/347795656.db2.gz SMPPQZZJQHRKOO-VIFPVBQESA-N 1 2 231.361 1.812 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)C(C)C ZINC000229997790 323161333 /nfs/dbraw/zinc/16/13/33/323161333.db2.gz PMRBZLQHHAGONV-VIFPVBQESA-N 1 2 210.277 1.519 20 0 BDADLO C[C@@H](c1ccccn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000577315465 365924257 /nfs/dbraw/zinc/92/42/57/365924257.db2.gz ZNACSPOMVOQHHE-NSHDSACASA-N 1 2 244.298 1.498 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027497 347992068 /nfs/dbraw/zinc/99/20/68/347992068.db2.gz VPENOVXTFPWMCF-LBPRGKRZSA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027497 347992070 /nfs/dbraw/zinc/99/20/70/347992070.db2.gz VPENOVXTFPWMCF-LBPRGKRZSA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C(C)(C)NCc1[nH]c(C)c(C)[nH+]1 ZINC000594924332 348156814 /nfs/dbraw/zinc/15/68/14/348156814.db2.gz LRCMQDIIOYGEKR-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO C[C@H](CSCCF)[NH2+]CC(F)(F)CO ZINC000595031888 348174634 /nfs/dbraw/zinc/17/46/34/348174634.db2.gz DPXQEOOQENDRHN-SSDOTTSWSA-N 1 2 231.283 1.295 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282790227 179372806 /nfs/dbraw/zinc/37/28/06/179372806.db2.gz QDRJAFCDRQMVKC-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccnc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282790227 179372807 /nfs/dbraw/zinc/37/28/07/179372807.db2.gz QDRJAFCDRQMVKC-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000070909013 179372829 /nfs/dbraw/zinc/37/28/29/179372829.db2.gz CHTLFRNRAOXKGS-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000070909013 179372830 /nfs/dbraw/zinc/37/28/30/179372830.db2.gz CHTLFRNRAOXKGS-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO CC[C@@H](C[NH2+]C1(C(=O)OC)CCCC1)OC ZINC000419232414 192112269 /nfs/dbraw/zinc/11/22/69/192112269.db2.gz FHYMHEZXECUUFT-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c(C)o1 ZINC000595423046 348245584 /nfs/dbraw/zinc/24/55/84/348245584.db2.gz DIBRBMNJKZOVRH-ZKANADHPSA-N 1 2 244.360 1.490 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c(C)o1 ZINC000595423046 348245588 /nfs/dbraw/zinc/24/55/88/348245588.db2.gz DIBRBMNJKZOVRH-ZKANADHPSA-N 1 2 244.360 1.490 20 0 BDADLO CSCCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000595517734 348260711 /nfs/dbraw/zinc/26/07/11/348260711.db2.gz PIBAJXDLFLMRSP-UHFFFAOYSA-N 1 2 242.348 1.304 20 0 BDADLO CSCCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000595517734 348260712 /nfs/dbraw/zinc/26/07/12/348260712.db2.gz PIBAJXDLFLMRSP-UHFFFAOYSA-N 1 2 242.348 1.304 20 0 BDADLO CSC[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC000595353543 348228853 /nfs/dbraw/zinc/22/88/53/348228853.db2.gz RHQVLIWMYYRNPA-SNVBAGLBSA-N 1 2 226.349 1.175 20 0 BDADLO CSC[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC000595353543 348228857 /nfs/dbraw/zinc/22/88/57/348228857.db2.gz RHQVLIWMYYRNPA-SNVBAGLBSA-N 1 2 226.349 1.175 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](CC(C)C)OC)C1CC1 ZINC000419245701 192115169 /nfs/dbraw/zinc/11/51/69/192115169.db2.gz AHJJUMNOXMJDLD-RYUDHWBXSA-N 1 2 243.347 1.589 20 0 BDADLO CC[C@](COC)([NH2+]CCC1CCC1)C(=O)OC ZINC000595529483 348272506 /nfs/dbraw/zinc/27/25/06/348272506.db2.gz IVVSKTADDYOJGT-CYBMUJFWSA-N 1 2 243.347 1.734 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1CCCCC1 ZINC000595530923 348273152 /nfs/dbraw/zinc/27/31/52/348273152.db2.gz BFKMRNLBNFRQFQ-CYBMUJFWSA-N 1 2 243.347 1.470 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@@H](C(=O)OC)C2CC2)C1 ZINC000419304882 192119854 /nfs/dbraw/zinc/11/98/54/192119854.db2.gz QKRAMJYFKXGVNX-OUAUKWLOSA-N 1 2 227.304 1.095 20 0 BDADLO CS[C@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000595567758 348283954 /nfs/dbraw/zinc/28/39/54/348283954.db2.gz LHOMYSZCQHNFSE-MRVPVSSYSA-N 1 2 242.348 1.303 20 0 BDADLO CS[C@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000595567758 348283956 /nfs/dbraw/zinc/28/39/56/348283956.db2.gz LHOMYSZCQHNFSE-MRVPVSSYSA-N 1 2 242.348 1.303 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1cnc[nH]1 ZINC000595597507 348294774 /nfs/dbraw/zinc/29/47/74/348294774.db2.gz SMYVRMPDQRZMPI-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1cnc[nH]1 ZINC000595597507 348294777 /nfs/dbraw/zinc/29/47/77/348294777.db2.gz SMYVRMPDQRZMPI-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO COC(=O)[C@@]1([NH2+]CC[C@H](C)O)CC[C@@H](C)CC1 ZINC000595705256 348308126 /nfs/dbraw/zinc/30/81/26/348308126.db2.gz QXOGXZYVHDTJJY-GVXVVHGQSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccccc1F ZINC000595674316 348309257 /nfs/dbraw/zinc/30/92/57/348309257.db2.gz KKDVFQRZZPAIMM-UHFFFAOYSA-N 1 2 249.285 1.963 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccccc1F ZINC000595674316 348309259 /nfs/dbraw/zinc/30/92/59/348309259.db2.gz KKDVFQRZZPAIMM-UHFFFAOYSA-N 1 2 249.285 1.963 20 0 BDADLO CCC[NH2+][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595734705 348318204 /nfs/dbraw/zinc/31/82/04/348318204.db2.gz OWSNTVXAPFABLH-GFCCVEGCSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+][C@@H]1C=CCCC1 ZINC000595769509 348335735 /nfs/dbraw/zinc/33/57/35/348335735.db2.gz MXMIIGUDZAWPSV-PWSUYJOCSA-N 1 2 229.295 1.976 20 0 BDADLO CCC[C@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595771773 348336297 /nfs/dbraw/zinc/33/62/97/348336297.db2.gz FKXIHIOBFMEPKE-GXSJLCMTSA-N 1 2 235.299 1.028 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](O)C(C)(C)C ZINC000595773244 348337180 /nfs/dbraw/zinc/33/71/80/348337180.db2.gz DJWBPVOSXCKNDP-CABZTGNLSA-N 1 2 249.326 1.274 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCF ZINC000595775147 348337864 /nfs/dbraw/zinc/33/78/64/348337864.db2.gz JXDAWQICGWZABV-SECBINFHSA-N 1 2 209.236 1.227 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000595848133 348355523 /nfs/dbraw/zinc/35/55/23/348355523.db2.gz NKRABPFBCIRXHD-AOOOYVTPSA-N 1 2 238.287 1.366 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000595848133 348355526 /nfs/dbraw/zinc/35/55/26/348355526.db2.gz NKRABPFBCIRXHD-AOOOYVTPSA-N 1 2 238.287 1.366 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1CSC1 ZINC000631911265 362927395 /nfs/dbraw/zinc/92/73/95/362927395.db2.gz AAGUUHIKNIXBOO-UHFFFAOYSA-N 1 2 239.344 1.095 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CC2(F)F)c[nH+]1 ZINC000334742659 133746203 /nfs/dbraw/zinc/74/62/03/133746203.db2.gz MRNLTYWYUOZYKP-JTQLQIEISA-N 1 2 240.253 1.970 20 0 BDADLO CCSC1(C[NH2+][C@H](CC)C(=O)OC)CC1 ZINC000596046627 348428971 /nfs/dbraw/zinc/42/89/71/348428971.db2.gz QWSCFPSGCFENBY-SECBINFHSA-N 1 2 231.361 1.813 20 0 BDADLO CC[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)C(=O)OC ZINC000596049794 348432632 /nfs/dbraw/zinc/43/26/32/348432632.db2.gz HGHMIOOAZUYCFZ-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2C[C@H](C)[C@@H](C)C2)c1 ZINC000596144063 348450099 /nfs/dbraw/zinc/45/00/99/348450099.db2.gz BOXCQVCMIHUQID-QWRGUYRKSA-N 1 2 248.326 1.889 20 0 BDADLO CC/C=C\CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596253863 348475468 /nfs/dbraw/zinc/47/54/68/348475468.db2.gz XSPNYWACPVUKDF-PLNGDYQASA-N 1 2 234.299 1.597 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CSCCF ZINC000597116029 348663180 /nfs/dbraw/zinc/66/31/80/348663180.db2.gz CIQPWDJCZNZWNY-JGVFFNPUSA-N 1 2 223.313 1.229 20 0 BDADLO CCc1nc(N(C)CC2N=NC(=O)O2)cc(C)[nH+]1 ZINC000425283157 192373019 /nfs/dbraw/zinc/37/30/19/192373019.db2.gz OFZGWUVKNYXADP-UHFFFAOYSA-N 1 2 249.274 1.072 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCCF ZINC000309033668 323197347 /nfs/dbraw/zinc/19/73/47/323197347.db2.gz GRZFMIPDZQJBOO-SNVBAGLBSA-N 1 2 219.300 1.913 20 0 BDADLO CS[C@@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597864259 348837173 /nfs/dbraw/zinc/83/71/73/348837173.db2.gz OEFLCTAHKGJXJN-QMMMGPOBSA-N 1 2 227.333 1.510 20 0 BDADLO CS[C@@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597864259 348837176 /nfs/dbraw/zinc/83/71/76/348837176.db2.gz OEFLCTAHKGJXJN-QMMMGPOBSA-N 1 2 227.333 1.510 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1ccoc1 ZINC000618475204 348912158 /nfs/dbraw/zinc/91/21/58/348912158.db2.gz CHVLQXFUZNLHAU-UHFFFAOYSA-N 1 2 233.271 1.225 20 0 BDADLO CSC[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460755 348977527 /nfs/dbraw/zinc/97/75/27/348977527.db2.gz XFGLYVDIRGAVER-DTWKUNHWSA-N 1 2 241.360 1.596 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(C)c1 ZINC000598606278 349007200 /nfs/dbraw/zinc/00/72/00/349007200.db2.gz ZEXRHUNKDCJYAC-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(C)c1 ZINC000598606278 349007202 /nfs/dbraw/zinc/00/72/02/349007202.db2.gz ZEXRHUNKDCJYAC-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO C[C@@H]1CC(=O)NCCN1c1cc[nH+]c(C2CC2)n1 ZINC000599114560 349099963 /nfs/dbraw/zinc/09/99/63/349099963.db2.gz MMQUSOUCIRIZLN-SECBINFHSA-N 1 2 246.314 1.069 20 0 BDADLO COC(=O)C[N@H+](C)CCc1c(F)cccc1F ZINC000402004019 349110910 /nfs/dbraw/zinc/11/09/10/349110910.db2.gz GIHWSEKFGGCCGQ-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1c(F)cccc1F ZINC000402004019 349110911 /nfs/dbraw/zinc/11/09/11/349110911.db2.gz GIHWSEKFGGCCGQ-UHFFFAOYSA-N 1 2 243.253 1.612 20 0 BDADLO Cc1noc(C[NH2+][C@@](C)(CO)c2ccccc2)n1 ZINC000599171898 349110969 /nfs/dbraw/zinc/11/09/69/349110969.db2.gz LAUOUYMNJAVIID-ZDUSSCGKSA-N 1 2 247.298 1.375 20 0 BDADLO C/C=C\CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000599171428 349110983 /nfs/dbraw/zinc/11/09/83/349110983.db2.gz GZSRMEJZZGDISN-ARJAWSKDSA-N 1 2 220.272 1.207 20 0 BDADLO Cc1nc(CNC(=O)c2c[nH+]c(C)[nH]2)cs1 ZINC000599312049 349145132 /nfs/dbraw/zinc/14/51/32/349145132.db2.gz RFYZBGRNVFCCEL-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1c[nH+]ccc1CCSc1nnnn1C ZINC000421824753 192386396 /nfs/dbraw/zinc/38/63/96/192386396.db2.gz KFCQGMMLQLUGPR-UHFFFAOYSA-N 1 2 235.316 1.248 20 0 BDADLO CCO[C@H](C[NH2+][C@@](C)(CC)C(=O)OC)C1CC1 ZINC000599351568 349155988 /nfs/dbraw/zinc/15/59/88/349155988.db2.gz GOQSYBAZCNQDLF-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@](COC)([NH2+]C[C@H]1C[C@H]1C)C(=O)OC ZINC000599437269 349176022 /nfs/dbraw/zinc/17/60/22/349176022.db2.gz MSBZNXZPPKMLEH-CKYFFXLPSA-N 1 2 229.320 1.200 20 0 BDADLO COC(=O)[C@]1([NH2+]C[C@H](C)O)CCCC(C)(C)C1 ZINC000599557130 349217281 /nfs/dbraw/zinc/21/72/81/349217281.db2.gz YCWUQPZJHCWSKT-GWCFXTLKSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@H]2COCCN2)cs1 ZINC000530220610 323218401 /nfs/dbraw/zinc/21/84/01/323218401.db2.gz BSMQEPLKIPGYRP-WPRPVWTQSA-N 1 2 241.360 1.091 20 0 BDADLO C[C@H](Cc1nc(-c2ccon2)no1)n1cc[nH+]c1 ZINC000351423860 538035262 /nfs/dbraw/zinc/03/52/62/538035262.db2.gz HPJGGHWISBXOQX-MRVPVSSYSA-N 1 2 245.242 1.725 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C1CC1 ZINC000599623580 349230890 /nfs/dbraw/zinc/23/08/90/349230890.db2.gz AQQMCIQWWKNJKM-DWFQIMNCSA-N 1 2 241.331 1.340 20 0 BDADLO C[C@@]1(C[NH+]2CC(S(C)(=O)=O)C2)CCCS1 ZINC000628304216 349280972 /nfs/dbraw/zinc/28/09/72/349280972.db2.gz LPEJYMMMDKBLKF-JTQLQIEISA-N 1 2 249.401 1.001 20 0 BDADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C)c1 ZINC000163754754 349366749 /nfs/dbraw/zinc/36/67/49/349366749.db2.gz XRWIACKXVRNAHY-QWHCGFSZSA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(C)c1 ZINC000163754754 349366751 /nfs/dbraw/zinc/36/67/51/349366751.db2.gz XRWIACKXVRNAHY-QWHCGFSZSA-N 1 2 249.310 1.103 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636870933 350027533 /nfs/dbraw/zinc/02/75/33/350027533.db2.gz YKAMRNDCVZOCRH-CKYFFXLPSA-N 1 2 248.330 1.296 20 0 BDADLO C[C@H]([NH2+]Cc1ncccn1)c1ccoc1 ZINC000309123792 350077914 /nfs/dbraw/zinc/07/79/14/350077914.db2.gz OUXMUDXDNCFRAM-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc[nH]n1 ZINC000603882337 350047733 /nfs/dbraw/zinc/04/77/33/350047733.db2.gz QZKPISVITPHDMW-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccn(C)n1 ZINC000603911753 350050635 /nfs/dbraw/zinc/05/06/35/350050635.db2.gz BGYKYXDUVMBLEH-UHFFFAOYSA-N 1 2 230.271 1.052 20 0 BDADLO CC[C@H]([NH2+]Cc1nnc(COC)[nH]1)C(C)C ZINC000658160199 490305102 /nfs/dbraw/zinc/30/51/02/490305102.db2.gz DFWKQGWOHQMQJU-VIFPVBQESA-N 1 2 226.324 1.475 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](O)C(C)C)C(C)(C)C ZINC000390782475 350088003 /nfs/dbraw/zinc/08/80/03/350088003.db2.gz KYMWZERJIKVMGA-UWVGGRQHSA-N 1 2 231.336 1.181 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000042245368 323245278 /nfs/dbraw/zinc/24/52/78/323245278.db2.gz QYFSZBVTJYCGGO-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CC2(O)CCC2)no1 ZINC000332032770 180033253 /nfs/dbraw/zinc/03/32/53/180033253.db2.gz VNYXHEYXPHQHFP-MRVPVSSYSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CC2(O)CCC2)no1 ZINC000332032770 180033255 /nfs/dbraw/zinc/03/32/55/180033255.db2.gz VNYXHEYXPHQHFP-MRVPVSSYSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)no1 ZINC000361589925 180047070 /nfs/dbraw/zinc/04/70/70/180047070.db2.gz IHGAHOCBBFDDOB-GXSJLCMTSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)no1 ZINC000361589925 180047072 /nfs/dbraw/zinc/04/70/72/180047072.db2.gz IHGAHOCBBFDDOB-GXSJLCMTSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@]2(C)CCO[C@H]2C)no1 ZINC000336744251 180052832 /nfs/dbraw/zinc/05/28/32/180052832.db2.gz PZEFFZGTNIAEMU-DKCNOQQISA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccon2)[nH+]1 ZINC000353269480 180058631 /nfs/dbraw/zinc/05/86/31/180058631.db2.gz UHNSWAARHCIMAC-SSDOTTSWSA-N 1 2 243.270 1.849 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000636982068 350123761 /nfs/dbraw/zinc/12/37/61/350123761.db2.gz VRUYCOMZEJRBOP-KOLCDFICSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@H](O)C(C)C)cc2[nH+]1 ZINC000362477665 180095323 /nfs/dbraw/zinc/09/53/23/180095323.db2.gz WVPVYLAWLPSPBY-GFCCVEGCSA-N 1 2 247.298 1.827 20 0 BDADLO Cc1[nH]c2cc(NC(=O)[C@H](O)C(C)C)ccc2[nH+]1 ZINC000362477665 180095324 /nfs/dbraw/zinc/09/53/24/180095324.db2.gz WVPVYLAWLPSPBY-GFCCVEGCSA-N 1 2 247.298 1.827 20 0 BDADLO CCC[C@@](C)([NH2+]CCCF)C(=O)OC ZINC000132375249 191030260 /nfs/dbraw/zinc/03/02/60/191030260.db2.gz ZFVFQUMDMFZONY-SNVBAGLBSA-N 1 2 205.273 1.667 20 0 BDADLO Cc1nc(NCC(C)(C)O)c2c([nH+]1)CCCC2 ZINC000177553282 180068498 /nfs/dbraw/zinc/06/84/98/180068498.db2.gz MRXSSBIJDYKOGE-UHFFFAOYSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1nc(NC[C@H](O)C2CC2)c2c([nH+]1)CCCC2 ZINC000272897756 180070889 /nfs/dbraw/zinc/07/08/89/180070889.db2.gz OYYLRWKJNZUMBX-ZDUSSCGKSA-N 1 2 247.342 1.847 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000334243173 538061968 /nfs/dbraw/zinc/06/19/68/538061968.db2.gz YEBCEZPHHLGJIV-JQWIXIFHSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000334243173 538061972 /nfs/dbraw/zinc/06/19/72/538061972.db2.gz YEBCEZPHHLGJIV-JQWIXIFHSA-N 1 2 233.315 1.743 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccco1 ZINC000093054440 191035001 /nfs/dbraw/zinc/03/50/01/191035001.db2.gz LVSXHEXRNQKSJA-NSHDSACASA-N 1 2 222.288 1.236 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccco1 ZINC000093054440 191035003 /nfs/dbraw/zinc/03/50/03/191035003.db2.gz LVSXHEXRNQKSJA-NSHDSACASA-N 1 2 222.288 1.236 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+](Cc1cc[nH]c1)C2 ZINC000375850521 180108407 /nfs/dbraw/zinc/10/84/07/180108407.db2.gz SBTVKQOYACWEGO-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+](Cc1cc[nH]c1)C2 ZINC000375850521 180108410 /nfs/dbraw/zinc/10/84/10/180108410.db2.gz SBTVKQOYACWEGO-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN(Cc1cc[nH]c1)C2 ZINC000375850521 180108411 /nfs/dbraw/zinc/10/84/11/180108411.db2.gz SBTVKQOYACWEGO-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO CCSCC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304504611 350161322 /nfs/dbraw/zinc/16/13/22/350161322.db2.gz QPPREQXDNORZSA-SSDOTTSWSA-N 1 2 241.364 1.706 20 0 BDADLO CCSCC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304504611 350161326 /nfs/dbraw/zinc/16/13/26/350161326.db2.gz QPPREQXDNORZSA-SSDOTTSWSA-N 1 2 241.364 1.706 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](Cc1cnccc1C)C2 ZINC000269651025 180113378 /nfs/dbraw/zinc/11/33/78/180113378.db2.gz VIZZKKXZJABHJF-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](Cc1cnccc1C)C2 ZINC000269651025 180113380 /nfs/dbraw/zinc/11/33/80/180113380.db2.gz VIZZKKXZJABHJF-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccccn1 ZINC000426995030 191051351 /nfs/dbraw/zinc/05/13/51/191051351.db2.gz LYDCKKOBKMKFCI-VIFPVBQESA-N 1 2 245.282 1.624 20 0 BDADLO Cc1cnc(CNC(=O)c2c[nH+]c(C)[nH]2)s1 ZINC000336568482 180131898 /nfs/dbraw/zinc/13/18/98/180131898.db2.gz CCSMGNAWSVOKHR-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC(=O)[C@H](C)C2)s1 ZINC000049693878 180139469 /nfs/dbraw/zinc/13/94/69/180139469.db2.gz MZAXSWFDHDIUIA-MRVPVSSYSA-N 1 2 224.329 1.862 20 0 BDADLO Cc1ncc(C[N@H+]2CCC(=O)[C@H](C)C2)s1 ZINC000049693878 180139472 /nfs/dbraw/zinc/13/94/72/180139472.db2.gz MZAXSWFDHDIUIA-MRVPVSSYSA-N 1 2 224.329 1.862 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CC1CCOCC1 ZINC000331087541 180119698 /nfs/dbraw/zinc/11/96/98/180119698.db2.gz QWEGXZOCXCIFCH-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1cc(C[NH2+][C@H](CO)c2ccsc2)ncn1 ZINC000428428655 191058641 /nfs/dbraw/zinc/05/86/41/191058641.db2.gz YDCIILZHTSELHY-GFCCVEGCSA-N 1 2 249.339 1.670 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccs1 ZINC000336064435 180121464 /nfs/dbraw/zinc/12/14/64/180121464.db2.gz OZQVCVBNAWXUAP-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO Cc1ncc(C[N@@H+]2CCNC(=O)C2(C)C)s1 ZINC000066529789 180144405 /nfs/dbraw/zinc/14/44/05/180144405.db2.gz PQEBMXOWRXVGDH-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncc(C[N@H+]2CCNC(=O)C2(C)C)s1 ZINC000066529789 180144407 /nfs/dbraw/zinc/14/44/07/180144407.db2.gz PQEBMXOWRXVGDH-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cnc(C)[nH]c2=O)no1 ZINC000353662458 180157820 /nfs/dbraw/zinc/15/78/20/180157820.db2.gz RNSAWPDIYNBOER-MRVPVSSYSA-N 1 2 248.286 1.638 20 0 BDADLO Cc1ncc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000264048836 180166584 /nfs/dbraw/zinc/16/65/84/180166584.db2.gz ANXVQYAKSOGNOS-UHFFFAOYSA-N 1 2 231.259 1.010 20 0 BDADLO Cc1nc(NCCCN2CCCC2=O)cc[nH+]1 ZINC000266183383 180198489 /nfs/dbraw/zinc/19/84/89/180198489.db2.gz WEAWDZZMXOVHPJ-UHFFFAOYSA-N 1 2 234.303 1.209 20 0 BDADLO NC(=O)Nc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000428846004 191078319 /nfs/dbraw/zinc/07/83/19/191078319.db2.gz AFQXPSLPILVXHF-UHFFFAOYSA-N 1 2 246.270 1.455 20 0 BDADLO Cc1nc(NCCOCC2CC2)cc[nH+]1 ZINC000230904474 180199344 /nfs/dbraw/zinc/19/93/44/180199344.db2.gz YMQYLDPMOVMSRW-UHFFFAOYSA-N 1 2 207.277 1.624 20 0 BDADLO Cc1nccc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000266464566 180200862 /nfs/dbraw/zinc/20/08/62/180200862.db2.gz ZHCDGWLKZQYHMA-SNVBAGLBSA-N 1 2 231.303 1.730 20 0 BDADLO Cc1nc(NCCc2ccncc2)cc[nH+]1 ZINC000054935919 180201717 /nfs/dbraw/zinc/20/17/17/180201717.db2.gz RLYUMISIZPEVCZ-UHFFFAOYSA-N 1 2 214.272 1.835 20 0 BDADLO Cc1nc(NCc2ncnn2C(C)C)cc[nH+]1 ZINC000280927695 180202637 /nfs/dbraw/zinc/20/26/37/180202637.db2.gz GTUGCVINIBEAKB-UHFFFAOYSA-N 1 2 232.291 1.570 20 0 BDADLO Cc1nc(N[C@@H](C)[C@H]2CCCOC2)cc[nH+]1 ZINC000336678524 180181664 /nfs/dbraw/zinc/18/16/64/180181664.db2.gz BTMVRLJLIVDMSB-ONGXEEELSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1nccc(C[N@@H+]2CCc3ncsc3C2)n1 ZINC000353101595 180186534 /nfs/dbraw/zinc/18/65/34/180186534.db2.gz XMWOPFYUWAVMND-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1nccc(C[N@H+]2CCc3ncsc3C2)n1 ZINC000353101595 180186537 /nfs/dbraw/zinc/18/65/37/180186537.db2.gz XMWOPFYUWAVMND-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1nccc(C[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000336471647 180186625 /nfs/dbraw/zinc/18/66/25/180186625.db2.gz JOCXLUJLHUJEIQ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nccc(C[N@H+]2CC[C@](C)(F)C2)n1 ZINC000336471647 180186627 /nfs/dbraw/zinc/18/66/27/180186627.db2.gz JOCXLUJLHUJEIQ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nnc2n1CC[N@@H+](Cc1cccnc1C)C2 ZINC000371379788 180220943 /nfs/dbraw/zinc/22/09/43/180220943.db2.gz ORVXBWCHPKTIGN-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nnc2n1CC[N@H+](Cc1cccnc1C)C2 ZINC000371379788 180220947 /nfs/dbraw/zinc/22/09/47/180220947.db2.gz ORVXBWCHPKTIGN-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CC(C)(C)OCCNc1nc[nH+]c(N)c1Cl ZINC000309265626 350247220 /nfs/dbraw/zinc/24/72/20/350247220.db2.gz CCVNNXANRXQYOD-UHFFFAOYSA-N 1 2 244.726 1.939 20 0 BDADLO CC(C)(C)OCCNc1[nH+]cnc(N)c1Cl ZINC000309265626 350247224 /nfs/dbraw/zinc/24/72/24/350247224.db2.gz CCVNNXANRXQYOD-UHFFFAOYSA-N 1 2 244.726 1.939 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCC(C)(F)F)C1CC1 ZINC000580695649 365959523 /nfs/dbraw/zinc/95/95/23/365959523.db2.gz IHRSJJOOWJELHA-LLVKDONJSA-N 1 2 235.274 1.963 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](O)C1)OCc1ccccc1 ZINC000223919471 350297133 /nfs/dbraw/zinc/29/71/33/350297133.db2.gz SRPKNJYJZSYFSD-CYBMUJFWSA-N 1 2 249.310 1.187 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)OCc1ccccc1 ZINC000223919471 350297136 /nfs/dbraw/zinc/29/71/36/350297136.db2.gz SRPKNJYJZSYFSD-CYBMUJFWSA-N 1 2 249.310 1.187 20 0 BDADLO COCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCCC1 ZINC000617191984 350306385 /nfs/dbraw/zinc/30/63/85/350306385.db2.gz ZDCURSPATDKTCQ-UHFFFAOYSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282799729 180314797 /nfs/dbraw/zinc/31/47/97/180314797.db2.gz RUNUORRWDGFBHT-QMMMGPOBSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282799729 180314798 /nfs/dbraw/zinc/31/47/98/180314798.db2.gz RUNUORRWDGFBHT-QMMMGPOBSA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncoc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353003959 180299458 /nfs/dbraw/zinc/29/94/58/180299458.db2.gz ANKQNPNZMYQSBC-VIFPVBQESA-N 1 2 248.286 1.246 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000225249738 350355815 /nfs/dbraw/zinc/35/58/15/350355815.db2.gz PYIBDHIYVDAEBF-LLVKDONJSA-N 1 2 221.304 1.532 20 0 BDADLO CCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000028833582 350362598 /nfs/dbraw/zinc/36/25/98/350362598.db2.gz GISKGTQYDUHRHU-UHFFFAOYSA-N 1 2 217.272 1.751 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000070837060 180315502 /nfs/dbraw/zinc/31/55/02/180315502.db2.gz BSHCCEOVNXRZOH-QMMMGPOBSA-N 1 2 224.329 1.862 20 0 BDADLO Cc1ncsc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000070837060 180315504 /nfs/dbraw/zinc/31/55/04/180315504.db2.gz BSHCCEOVNXRZOH-QMMMGPOBSA-N 1 2 224.329 1.862 20 0 BDADLO C[C@@H](CCO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582206 350373423 /nfs/dbraw/zinc/37/34/23/350373423.db2.gz HCZJSMUQUCYFQO-VIFPVBQESA-N 1 2 248.286 1.227 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12C[C@H]1CCC2 ZINC000617214408 350384487 /nfs/dbraw/zinc/38/44/87/350384487.db2.gz UYGCHQRAEIPZGT-BXKDBHETSA-N 1 2 219.288 1.319 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@]12C[C@H]1CCC2 ZINC000617214408 350384490 /nfs/dbraw/zinc/38/44/90/350384490.db2.gz UYGCHQRAEIPZGT-BXKDBHETSA-N 1 2 219.288 1.319 20 0 BDADLO CC1(C)OCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000328291800 350396209 /nfs/dbraw/zinc/39/62/09/350396209.db2.gz CCLKAJONOMUGSI-LURJTMIESA-N 1 2 242.710 1.692 20 0 BDADLO CC1(C)OCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000328291800 350396211 /nfs/dbraw/zinc/39/62/11/350396211.db2.gz CCLKAJONOMUGSI-LURJTMIESA-N 1 2 242.710 1.692 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000428002711 191104851 /nfs/dbraw/zinc/10/48/51/191104851.db2.gz ZEZYMWKEHFKCMY-IJLUTSLNSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccccc2F)n1 ZINC000020349077 350464711 /nfs/dbraw/zinc/46/47/11/350464711.db2.gz OYOXGXJDJITCHQ-UHFFFAOYSA-N 1 2 219.263 1.849 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)[nH]1 ZINC000580336590 350511606 /nfs/dbraw/zinc/51/16/06/350511606.db2.gz SZYOPCATXDLRCR-SECBINFHSA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](F)C2)[nH]1 ZINC000580336590 350511612 /nfs/dbraw/zinc/51/16/12/350511612.db2.gz SZYOPCATXDLRCR-SECBINFHSA-N 1 2 240.278 1.735 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428001436 191105934 /nfs/dbraw/zinc/10/59/34/191105934.db2.gz PZZHDCFTXZQNHN-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO COc1ccc[nH+]c1NCCC[C@@H](C)CO ZINC000228304587 350536371 /nfs/dbraw/zinc/53/63/71/350536371.db2.gz SSQZNSANZWFNTD-SNVBAGLBSA-N 1 2 224.304 1.911 20 0 BDADLO CCc1noc(C[NH+]2CCC(C)(CO)CC2)n1 ZINC000401800863 490586644 /nfs/dbraw/zinc/58/66/44/490586644.db2.gz MWQKWIFJORKLRL-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO Cc1n[nH]cc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577496746 365969591 /nfs/dbraw/zinc/96/95/91/365969591.db2.gz LFPNRTGCYHPYCR-SECBINFHSA-N 1 2 247.302 1.182 20 0 BDADLO CCC[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000577526694 365979151 /nfs/dbraw/zinc/97/91/51/365979151.db2.gz JLVLUJFCJQJRHK-WPRPVWTQSA-N 1 2 227.308 1.532 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000577526694 365979156 /nfs/dbraw/zinc/97/91/56/365979156.db2.gz JLVLUJFCJQJRHK-WPRPVWTQSA-N 1 2 227.308 1.532 20 0 BDADLO COCC1(C)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628307333 350598376 /nfs/dbraw/zinc/59/83/76/350598376.db2.gz DBOPIXOSOWKKHJ-UHFFFAOYSA-N 1 2 223.320 1.495 20 0 BDADLO O=C(C[C@H]1CCOC1)Nc1ccc2[nH+]ccn2c1 ZINC000606780921 350608399 /nfs/dbraw/zinc/60/83/99/350608399.db2.gz LIJKSLHLCPGFNF-SNVBAGLBSA-N 1 2 245.282 1.699 20 0 BDADLO C[C@@H](CCO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000152291595 538097913 /nfs/dbraw/zinc/09/79/13/538097913.db2.gz OTZAVMNBHRCJNX-QMMMGPOBSA-N 1 2 232.287 1.395 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ccc(O)cc1F ZINC000335666563 538097996 /nfs/dbraw/zinc/09/79/96/538097996.db2.gz NADQSTKGFZXSSN-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H](C(F)(F)F)C1 ZINC000606903116 350627031 /nfs/dbraw/zinc/62/70/31/350627031.db2.gz IOXFSLVHJZWAEO-QMMMGPOBSA-N 1 2 249.236 1.183 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000617276699 350660872 /nfs/dbraw/zinc/66/08/72/350660872.db2.gz NJCUIWLNNHAREL-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1cnn(C)c1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000617276699 350660875 /nfs/dbraw/zinc/66/08/75/350660875.db2.gz NJCUIWLNNHAREL-QMMMGPOBSA-N 1 2 247.302 1.269 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)COC)C(=O)OCC ZINC000097988014 350726866 /nfs/dbraw/zinc/72/68/66/350726866.db2.gz AEQRUZNOWXJNMU-NXEZZACHSA-N 1 2 217.309 1.343 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C1CC1)[C@H](C)CO ZINC000339629461 350769185 /nfs/dbraw/zinc/76/91/85/350769185.db2.gz IZAHFVRIGPXPJJ-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C1CC1)[C@H](C)CO ZINC000339629461 350769189 /nfs/dbraw/zinc/76/91/89/350769189.db2.gz IZAHFVRIGPXPJJ-SECBINFHSA-N 1 2 238.335 1.124 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2ccn(C)n2)o1 ZINC000628309473 350785770 /nfs/dbraw/zinc/78/57/70/350785770.db2.gz XXOMBYCRHFILDW-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@@H]1C[C@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000607119164 350922470 /nfs/dbraw/zinc/92/24/70/350922470.db2.gz HBGSNFWALKFYQX-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC000607119165 350922740 /nfs/dbraw/zinc/92/27/40/350922740.db2.gz HBGSNFWALKFYQX-RYUDHWBXSA-N 1 2 235.331 1.920 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000577602752 366013269 /nfs/dbraw/zinc/01/32/69/366013269.db2.gz LJQVIKBBBVPEEW-NSHDSACASA-N 1 2 247.260 1.974 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000194002012 191129896 /nfs/dbraw/zinc/12/98/96/191129896.db2.gz TVLPIXQEVNCVPV-CYBMUJFWSA-N 1 2 233.315 1.594 20 0 BDADLO Cn1cc(C[NH2+]Cc2cnn[nH]2)c(C(C)(C)C)n1 ZINC000398310483 351024262 /nfs/dbraw/zinc/02/42/62/351024262.db2.gz SFDOTNCPZXEIMP-UHFFFAOYSA-N 1 2 248.334 1.126 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000194002012 191129899 /nfs/dbraw/zinc/12/98/99/191129899.db2.gz TVLPIXQEVNCVPV-CYBMUJFWSA-N 1 2 233.315 1.594 20 0 BDADLO COc1ccc(C[NH2+]Cc2cnn[nH]2)cc1OC ZINC000398318972 351033904 /nfs/dbraw/zinc/03/39/04/351033904.db2.gz YCWLULXCVIUSBJ-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C[C@H]1C ZINC000398330434 351037042 /nfs/dbraw/zinc/03/70/42/351037042.db2.gz QMWSSHVTILYAOJ-OPRDCNLKSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C[C@H]1C ZINC000398330434 351037044 /nfs/dbraw/zinc/03/70/44/351037044.db2.gz QMWSSHVTILYAOJ-OPRDCNLKSA-N 1 2 208.309 1.719 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCOC(C)C)C1CC1 ZINC000309659594 323443771 /nfs/dbraw/zinc/44/37/71/323443771.db2.gz QXJPBROKWWSMTI-GFCCVEGCSA-N 1 2 229.320 1.343 20 0 BDADLO CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000052568867 351054461 /nfs/dbraw/zinc/05/44/61/351054461.db2.gz LPQHPELVBDRAMB-CQSZACIVSA-N 1 2 248.326 1.196 20 0 BDADLO C[C@@H]1C[C@@H](NCC(F)F)c2[nH+]ccn21 ZINC000306808840 351063336 /nfs/dbraw/zinc/06/33/36/351063336.db2.gz QDTDORZZQUXOSR-RNFRBKRXSA-N 1 2 201.220 1.744 20 0 BDADLO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC000623578065 363009497 /nfs/dbraw/zinc/00/94/97/363009497.db2.gz TWWZWSSXVXAHAH-JQWIXIFHSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC000623578065 363009501 /nfs/dbraw/zinc/00/95/01/363009501.db2.gz TWWZWSSXVXAHAH-JQWIXIFHSA-N 1 2 220.320 1.887 20 0 BDADLO CCC1(C[NH2+]Cc2c[nH]nn2)CCOCC1 ZINC000623578610 363011620 /nfs/dbraw/zinc/01/16/20/363011620.db2.gz PMTKYXHAESMODD-UHFFFAOYSA-N 1 2 224.308 1.101 20 0 BDADLO CCC1(C[NH2+]Cc2cn[nH]n2)CCOCC1 ZINC000623578610 363011628 /nfs/dbraw/zinc/01/16/28/363011628.db2.gz PMTKYXHAESMODD-UHFFFAOYSA-N 1 2 224.308 1.101 20 0 BDADLO CC1(C)C[N@H+](Cc2cnns2)CC[C@@H]1O ZINC000379871649 351170717 /nfs/dbraw/zinc/17/07/17/351170717.db2.gz QSJCNXGSMGFMPM-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnns2)CC[C@@H]1O ZINC000379871649 351170721 /nfs/dbraw/zinc/17/07/21/351170721.db2.gz QSJCNXGSMGFMPM-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO COc1cccc(C[NH2+]Cc2cnn[nH]2)c1F ZINC000623578692 363012450 /nfs/dbraw/zinc/01/24/50/363012450.db2.gz TVMBSDDBOFPFPW-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616636863 351129492 /nfs/dbraw/zinc/12/94/92/351129492.db2.gz HBHLBDRRYAFGDJ-JTQLQIEISA-N 1 2 244.335 1.232 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616636863 351129494 /nfs/dbraw/zinc/12/94/94/351129494.db2.gz HBHLBDRRYAFGDJ-JTQLQIEISA-N 1 2 244.335 1.232 20 0 BDADLO CCCCO[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000264259162 351230376 /nfs/dbraw/zinc/23/03/76/351230376.db2.gz CMEWMWJRBKNRJG-SNVBAGLBSA-N 1 2 239.319 1.242 20 0 BDADLO CCC[C@H](CNC(=O)Cn1cc[nH+]c1)OCC ZINC000628341836 351285585 /nfs/dbraw/zinc/28/55/85/351285585.db2.gz UGSSIRARJZANKA-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO CCCCc1cc(N[C@H](C)CC(N)=O)nc[nH+]1 ZINC000631125686 351297132 /nfs/dbraw/zinc/29/71/32/351297132.db2.gz FIPWPLIKQSDDHB-SECBINFHSA-N 1 2 236.319 1.495 20 0 BDADLO CCC[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)OCC ZINC000628347593 351304226 /nfs/dbraw/zinc/30/42/26/351304226.db2.gz RQUFGVFNNNRJDP-SNVBAGLBSA-N 1 2 239.319 1.653 20 0 BDADLO CCn1ccc(=NC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]1 ZINC000618044471 351273855 /nfs/dbraw/zinc/27/38/55/351273855.db2.gz JITYLIKRJUPCLR-SNVBAGLBSA-N 1 2 247.302 1.111 20 0 BDADLO CC[C@@H](OC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265794252 351275339 /nfs/dbraw/zinc/27/53/39/351275339.db2.gz JCVOBFMXVRYDNF-GHMZBOCLSA-N 1 2 239.319 1.060 20 0 BDADLO CC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000034989570 351377125 /nfs/dbraw/zinc/37/71/25/351377125.db2.gz FAFNRJFKMFCGAJ-UHFFFAOYSA-N 1 2 236.290 1.537 20 0 BDADLO CC[C@@H](OC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000268987238 351344019 /nfs/dbraw/zinc/34/40/19/351344019.db2.gz MKPZTWPIUPNWSS-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO Cc1cncc(C[NH2+]Cc2ncnn2C(C)C)c1 ZINC000631101149 351354805 /nfs/dbraw/zinc/35/48/05/351354805.db2.gz CSFJPWWIPMZIIR-UHFFFAOYSA-N 1 2 245.330 1.852 20 0 BDADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271690697 351427578 /nfs/dbraw/zinc/42/75/78/351427578.db2.gz LPBWOTCNKSGXKT-JTQLQIEISA-N 1 2 247.302 1.076 20 0 BDADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271690697 351427583 /nfs/dbraw/zinc/42/75/83/351427583.db2.gz LPBWOTCNKSGXKT-JTQLQIEISA-N 1 2 247.302 1.076 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000306993158 351409446 /nfs/dbraw/zinc/40/94/46/351409446.db2.gz YJCMCXFAXXQHNO-GFCCVEGCSA-N 1 2 207.273 1.491 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000306993158 351409447 /nfs/dbraw/zinc/40/94/47/351409447.db2.gz YJCMCXFAXXQHNO-GFCCVEGCSA-N 1 2 207.273 1.491 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCC(F)(F)F ZINC000088094333 351569393 /nfs/dbraw/zinc/56/93/93/351569393.db2.gz CYQUBKLDIQVQAD-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCC(F)(F)F ZINC000088094333 351569394 /nfs/dbraw/zinc/56/93/94/351569394.db2.gz CYQUBKLDIQVQAD-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CCCCOCC[NH2+][C@@](C)(CC)C(=O)OC ZINC000336730542 351612516 /nfs/dbraw/zinc/61/25/16/351612516.db2.gz IJQSHEFQTHMUCE-LBPRGKRZSA-N 1 2 231.336 1.734 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@H]2CC[C@@H](C)O2)n1 ZINC000571653069 351587241 /nfs/dbraw/zinc/58/72/41/351587241.db2.gz FMYUSJSEOIVCHJ-WCABBAIRSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@H]2CC[C@@H](C)O2)n1 ZINC000571653069 351587244 /nfs/dbraw/zinc/58/72/44/351587244.db2.gz FMYUSJSEOIVCHJ-WCABBAIRSA-N 1 2 239.319 1.938 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)[C@@H](C)O1 ZINC000637828744 351676714 /nfs/dbraw/zinc/67/67/14/351676714.db2.gz GQUVYKDGACCHSX-MRTMQBJTSA-N 1 2 235.287 1.246 20 0 BDADLO CCO[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C1CC1 ZINC000637827660 351670616 /nfs/dbraw/zinc/67/06/16/351670616.db2.gz LGPKGOFCMKBBED-LLVKDONJSA-N 1 2 235.287 1.248 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2CC2CCC2)CCO1 ZINC000637883593 351748087 /nfs/dbraw/zinc/74/80/87/351748087.db2.gz PXSUYPZQJNTQLN-GFCCVEGCSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2CC2CCC2)CCO1 ZINC000637883593 351748092 /nfs/dbraw/zinc/74/80/92/351748092.db2.gz PXSUYPZQJNTQLN-GFCCVEGCSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)(C[N@@H+]1CCNC(=O)C1)Oc1ccccc1 ZINC000637850675 351708380 /nfs/dbraw/zinc/70/83/80/351708380.db2.gz YBCMRRCKYWSMNN-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO CC(C)(C[N@H+]1CCNC(=O)C1)Oc1ccccc1 ZINC000637850675 351708382 /nfs/dbraw/zinc/70/83/82/351708382.db2.gz YBCMRRCKYWSMNN-UHFFFAOYSA-N 1 2 248.326 1.276 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(N)=O)c(F)c1 ZINC000637894716 351766240 /nfs/dbraw/zinc/76/62/40/351766240.db2.gz XEVWNJIUXIFYIG-UHFFFAOYSA-N 1 2 210.252 1.051 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(N)=O)c(F)c1 ZINC000637894716 351766245 /nfs/dbraw/zinc/76/62/45/351766245.db2.gz XEVWNJIUXIFYIG-UHFFFAOYSA-N 1 2 210.252 1.051 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1nncn1C ZINC000037017396 358466616 /nfs/dbraw/zinc/46/66/16/358466616.db2.gz UNZATPCZYUWKNW-NXEZZACHSA-N 1 2 246.314 1.933 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000335504488 133869102 /nfs/dbraw/zinc/86/91/02/133869102.db2.gz UOAFYMJKJUIIBX-JTQLQIEISA-N 1 2 243.738 1.276 20 0 BDADLO CC1(C)CN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000279632702 351819549 /nfs/dbraw/zinc/81/95/49/351819549.db2.gz ZIWYYADYXOSFJU-ZDUSSCGKSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCCO)s1 ZINC000338363939 191142207 /nfs/dbraw/zinc/14/22/07/191142207.db2.gz SEEWDXONCURBPX-SSDOTTSWSA-N 1 2 215.322 1.222 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCCO)s1 ZINC000338363939 191142209 /nfs/dbraw/zinc/14/22/09/191142209.db2.gz SEEWDXONCURBPX-SSDOTTSWSA-N 1 2 215.322 1.222 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000124350773 191142627 /nfs/dbraw/zinc/14/26/27/191142627.db2.gz LRUAIZOJPVYNTE-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000124350773 191142630 /nfs/dbraw/zinc/14/26/30/191142630.db2.gz LRUAIZOJPVYNTE-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO CC[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000618871657 351963203 /nfs/dbraw/zinc/96/32/03/351963203.db2.gz NWBRAUUCOQUNHI-JTQLQIEISA-N 1 2 235.331 1.992 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccns2)[C@@H](C)C1 ZINC000638094510 351974712 /nfs/dbraw/zinc/97/47/12/351974712.db2.gz UTAVJYHTQFVXEI-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccns2)[C@@H](C)C1 ZINC000638094510 351974717 /nfs/dbraw/zinc/97/47/17/351974717.db2.gz UTAVJYHTQFVXEI-VIFPVBQESA-N 1 2 239.344 1.196 20 0 BDADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000618874672 351998118 /nfs/dbraw/zinc/99/81/18/351998118.db2.gz VMBUBJAOXYQVLO-LLVKDONJSA-N 1 2 224.348 1.633 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)sn1 ZINC000638181852 352049074 /nfs/dbraw/zinc/04/90/74/352049074.db2.gz YPFWUWKZNYQNEN-NXEZZACHSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)sn1 ZINC000638181852 352049077 /nfs/dbraw/zinc/04/90/77/352049077.db2.gz YPFWUWKZNYQNEN-NXEZZACHSA-N 1 2 242.344 1.033 20 0 BDADLO CCc1nc(N(C)Cc2nc[nH]n2)cc(C)[nH+]1 ZINC000287349715 352122913 /nfs/dbraw/zinc/12/29/13/352122913.db2.gz PISASWZMRHJQDI-UHFFFAOYSA-N 1 2 232.291 1.102 20 0 BDADLO CCc1nc(N(C)Cc2nnc[nH]2)cc(C)[nH+]1 ZINC000287349715 352122917 /nfs/dbraw/zinc/12/29/17/352122917.db2.gz PISASWZMRHJQDI-UHFFFAOYSA-N 1 2 232.291 1.102 20 0 BDADLO CC(C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000290743321 352239376 /nfs/dbraw/zinc/23/93/76/352239376.db2.gz XJUZPSACZYYFIL-UHFFFAOYSA-N 1 2 222.292 1.064 20 0 BDADLO CC[N@H+](Cc1cnnn1C)[C@H](C)c1cccnc1 ZINC000290345273 352221007 /nfs/dbraw/zinc/22/10/07/352221007.db2.gz FTDDEQVPAZTOAG-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cnnn1C)[C@H](C)c1cccnc1 ZINC000290345273 352221010 /nfs/dbraw/zinc/22/10/10/352221010.db2.gz FTDDEQVPAZTOAG-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO O=C1CC[C@H](COc2cc[nH+]cc2)CCN1 ZINC000642268483 363128935 /nfs/dbraw/zinc/12/89/35/363128935.db2.gz ZZAXRPLXTHMNHK-JTQLQIEISA-N 1 2 220.272 1.377 20 0 BDADLO CCc1nc(CN2CCn3c[nH+]cc3C2)cs1 ZINC000291633564 352282465 /nfs/dbraw/zinc/28/24/65/352282465.db2.gz SPHKUPOYKASNPP-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000336068244 538102888 /nfs/dbraw/zinc/10/28/88/538102888.db2.gz JRWYRCZJLRVVCH-PHIMTYICSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000336068244 538102891 /nfs/dbraw/zinc/10/28/91/538102891.db2.gz JRWYRCZJLRVVCH-PHIMTYICSA-N 1 2 233.315 1.601 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CCc2ccccn2)[nH]1 ZINC000411414765 191183585 /nfs/dbraw/zinc/18/35/85/191183585.db2.gz IRQFJFZPLBOQHH-JTQLQIEISA-N 1 2 245.330 1.744 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CCc2ccccn2)[nH]1 ZINC000411414765 191183588 /nfs/dbraw/zinc/18/35/88/191183588.db2.gz IRQFJFZPLBOQHH-JTQLQIEISA-N 1 2 245.330 1.744 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(C)C(C)C ZINC000411409951 191184271 /nfs/dbraw/zinc/18/42/71/191184271.db2.gz ABAQWEVPMFVOAQ-ZDUSSCGKSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(C)C(C)C ZINC000411409951 191184273 /nfs/dbraw/zinc/18/42/73/191184273.db2.gz ABAQWEVPMFVOAQ-ZDUSSCGKSA-N 1 2 242.363 1.354 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cncs1)C1CC1 ZINC000411602269 191195842 /nfs/dbraw/zinc/19/58/42/191195842.db2.gz JGVIQAASJXDXIR-SNVBAGLBSA-N 1 2 240.328 1.227 20 0 BDADLO CC[N@H+](Cc1csc(Cl)n1)[C@@H](C)CO ZINC000296721919 352455092 /nfs/dbraw/zinc/45/50/92/352455092.db2.gz NCVRVGYBRXORJU-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@@H+](Cc1csc(Cl)n1)[C@@H](C)CO ZINC000296721919 352455093 /nfs/dbraw/zinc/45/50/93/352455093.db2.gz NCVRVGYBRXORJU-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC1(C)C ZINC000352701747 180744773 /nfs/dbraw/zinc/74/47/73/180744773.db2.gz NIBKUUUTHFIJOB-VIFPVBQESA-N 1 2 236.319 1.265 20 0 BDADLO Cc1ccoc1CC(=O)NCCc1c[nH+]cn1C ZINC000613413384 363188625 /nfs/dbraw/zinc/18/86/25/363188625.db2.gz OSJMZAXBYBSRCY-UHFFFAOYSA-N 1 2 247.298 1.223 20 0 BDADLO CC(C)CN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298262882 352497410 /nfs/dbraw/zinc/49/74/10/352497410.db2.gz OPCDEMMAOIKSPA-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO CC(C)CN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298262882 352497415 /nfs/dbraw/zinc/49/74/15/352497415.db2.gz OPCDEMMAOIKSPA-JTQLQIEISA-N 1 2 238.335 1.362 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C3CC3)no2)[nH]n1 ZINC000638676738 352516078 /nfs/dbraw/zinc/51/60/78/352516078.db2.gz RIQPAKMTVCZUER-UHFFFAOYSA-N 1 2 232.287 1.873 20 0 BDADLO Cc1cccc(CCNC(=O)Cn2cc[nH+]c2)c1 ZINC000608012404 352600271 /nfs/dbraw/zinc/60/02/71/352600271.db2.gz ZLTDXIJWGZLMAG-UHFFFAOYSA-N 1 2 243.310 1.550 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN12 ZINC000029569847 352671690 /nfs/dbraw/zinc/67/16/90/352671690.db2.gz VCJWUWSQMWMNCX-CYBMUJFWSA-N 1 2 248.301 1.632 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN12 ZINC000029569847 352671692 /nfs/dbraw/zinc/67/16/92/352671692.db2.gz VCJWUWSQMWMNCX-CYBMUJFWSA-N 1 2 248.301 1.632 20 0 BDADLO Cn1nc(C[NH2+]Cc2cc[nH]n2)c2ccccc21 ZINC000608055730 352652015 /nfs/dbraw/zinc/65/20/15/352652015.db2.gz AUWYGRFRPPNFTO-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO CCN(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000043311322 352631749 /nfs/dbraw/zinc/63/17/49/352631749.db2.gz YJNCMMASPKRFIK-UHFFFAOYSA-N 1 2 222.292 1.077 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411941725 191231376 /nfs/dbraw/zinc/23/13/76/191231376.db2.gz LUOJAZUAEBGZAN-QWHCGFSZSA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411941725 191231377 /nfs/dbraw/zinc/23/13/77/191231377.db2.gz LUOJAZUAEBGZAN-QWHCGFSZSA-N 1 2 249.310 1.357 20 0 BDADLO Cn1c[nH+]cc1CNCc1noc2c1CCCC2 ZINC000288329475 180787397 /nfs/dbraw/zinc/78/73/97/180787397.db2.gz ALODPUONGLFPPS-UHFFFAOYSA-N 1 2 246.314 1.577 20 0 BDADLO Cc1nc(NCc2ccc3c(c2)CCO3)cc[nH+]1 ZINC000608082181 352738157 /nfs/dbraw/zinc/73/81/57/352738157.db2.gz VMMNDSRHFWUIPR-UHFFFAOYSA-N 1 2 241.294 1.754 20 0 BDADLO CO[C@@H](CNc1c[nH+]cc(C)c1)[C@@H]1CCOC1 ZINC000638787516 352743418 /nfs/dbraw/zinc/74/34/18/352743418.db2.gz IOWLQKSLITZVDG-YPMHNXCESA-N 1 2 236.315 1.853 20 0 BDADLO CCC1(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000334174839 352759497 /nfs/dbraw/zinc/75/94/97/352759497.db2.gz CAMRNWOWXPNWLI-LLVKDONJSA-N 1 2 247.342 1.926 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]1C1CC1 ZINC000378105065 180783991 /nfs/dbraw/zinc/78/39/91/180783991.db2.gz WQMYFICOEOBXCA-LBPRGKRZSA-N 1 2 248.330 1.504 20 0 BDADLO CO[C@H]1CCC[C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000334180018 352767119 /nfs/dbraw/zinc/76/71/19/352767119.db2.gz DPXDYASEJOOBPD-NEPJUHHUSA-N 1 2 248.326 1.956 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000334181817 352769629 /nfs/dbraw/zinc/76/96/29/352769629.db2.gz BRANYJLFTKSUGC-QWHCGFSZSA-N 1 2 235.331 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000334181817 352769630 /nfs/dbraw/zinc/76/96/30/352769630.db2.gz BRANYJLFTKSUGC-QWHCGFSZSA-N 1 2 235.331 1.564 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000334183570 352772006 /nfs/dbraw/zinc/77/20/06/352772006.db2.gz GJPWWKPOBWDYNF-NEPJUHHUSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000334183577 352772409 /nfs/dbraw/zinc/77/24/09/352772409.db2.gz GJPWWKPOBWDYNF-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCCC1 ZINC000334212949 352811181 /nfs/dbraw/zinc/81/11/81/352811181.db2.gz AWYMRIHKSPPPGX-NSHDSACASA-N 1 2 233.315 1.458 20 0 BDADLO CC[C@@H](F)C[NH2+][C@H](C)c1csnn1 ZINC000412044336 191250193 /nfs/dbraw/zinc/25/01/93/191250193.db2.gz QRSFQERSWMEXQN-RNFRBKRXSA-N 1 2 203.286 1.937 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000334237135 352855482 /nfs/dbraw/zinc/85/54/82/352855482.db2.gz IIMPJPILFWYALT-BETUJISGSA-N 1 2 249.358 1.883 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000334237135 352855485 /nfs/dbraw/zinc/85/54/85/352855485.db2.gz IIMPJPILFWYALT-BETUJISGSA-N 1 2 249.358 1.883 20 0 BDADLO CCc1[nH]ccc1C(=O)Nc1cc[nH+]cc1C ZINC000334256283 352866514 /nfs/dbraw/zinc/86/65/14/352866514.db2.gz ZMHMCVJFWZILLG-UHFFFAOYSA-N 1 2 229.283 1.955 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC12CCCC2 ZINC000334247577 352839132 /nfs/dbraw/zinc/83/91/32/352839132.db2.gz MCGCFYMDSZSKBA-JTQLQIEISA-N 1 2 219.288 1.332 20 0 BDADLO CC(C)Cc1c[nH]c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000412113781 191258898 /nfs/dbraw/zinc/25/88/98/191258898.db2.gz XUXVFCQRXSXWKB-UHFFFAOYSA-N 1 2 246.314 1.866 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC23CCCC3)cn1 ZINC000342874159 352884965 /nfs/dbraw/zinc/88/49/65/352884965.db2.gz MQTGOWMVZMVOFB-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC23CCCC3)cn1 ZINC000342874159 352884968 /nfs/dbraw/zinc/88/49/68/352884968.db2.gz MQTGOWMVZMVOFB-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cs1 ZINC000334252091 352888899 /nfs/dbraw/zinc/88/88/99/352888899.db2.gz KVMXRJYWHVDYBO-PHIMTYICSA-N 1 2 225.313 1.348 20 0 BDADLO c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cs1 ZINC000334252091 352888901 /nfs/dbraw/zinc/88/89/01/352888901.db2.gz KVMXRJYWHVDYBO-PHIMTYICSA-N 1 2 225.313 1.348 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000334261660 352894787 /nfs/dbraw/zinc/89/47/87/352894787.db2.gz YFBOESXVZDNUKS-NSHDSACASA-N 1 2 247.342 1.777 20 0 BDADLO CC(C)(C)CCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000232508384 352934045 /nfs/dbraw/zinc/93/40/45/352934045.db2.gz MVDUONXBGFKIEB-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO CC(C)(C)CCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000232508384 352934047 /nfs/dbraw/zinc/93/40/47/352934047.db2.gz MVDUONXBGFKIEB-UHFFFAOYSA-N 1 2 245.348 1.265 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@H]1CCCCO1 ZINC000334352114 352986962 /nfs/dbraw/zinc/98/69/62/352986962.db2.gz GUXIVSRWBMCUQY-NXEZZACHSA-N 1 2 244.360 1.508 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@H]1CCCCO1 ZINC000334352114 352986963 /nfs/dbraw/zinc/98/69/63/352986963.db2.gz GUXIVSRWBMCUQY-NXEZZACHSA-N 1 2 244.360 1.508 20 0 BDADLO C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000334384322 353047371 /nfs/dbraw/zinc/04/73/71/353047371.db2.gz IFVFIVOXKWYWBX-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC1CC1)CCC2 ZINC000334384175 353047441 /nfs/dbraw/zinc/04/74/41/353047441.db2.gz LQGKRDIFAWWRTK-JTQLQIEISA-N 1 2 248.330 1.531 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ccns2)CCO1 ZINC000638911655 353076388 /nfs/dbraw/zinc/07/63/88/353076388.db2.gz YAHUAWPJDLHVCV-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ccns2)CCO1 ZINC000638911655 353076392 /nfs/dbraw/zinc/07/63/92/353076392.db2.gz YAHUAWPJDLHVCV-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO C[C@@H]1C[N@H+](C/C(Cl)=C/Cl)C[C@H]1O ZINC000307750621 353126297 /nfs/dbraw/zinc/12/62/97/353126297.db2.gz KTJMKIRQDABQKC-LNKIXFSISA-N 1 2 210.104 1.618 20 0 BDADLO C[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)C[C@H]1O ZINC000307750621 353126299 /nfs/dbraw/zinc/12/62/99/353126299.db2.gz KTJMKIRQDABQKC-LNKIXFSISA-N 1 2 210.104 1.618 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnn(C)n2)c(C)s1 ZINC000309857370 353130355 /nfs/dbraw/zinc/13/03/55/353130355.db2.gz LBCUOKRQWOPJGJ-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000073904668 353135911 /nfs/dbraw/zinc/13/59/11/353135911.db2.gz UYHKRPJYFBLGPN-JTQLQIEISA-N 1 2 209.293 1.291 20 0 BDADLO Cc1nc2c(c(-n3cc[nH+]c3)n1)CCCC2 ZINC000334475057 353119277 /nfs/dbraw/zinc/11/92/77/353119277.db2.gz LWBINWPPWGVHPC-UHFFFAOYSA-N 1 2 214.272 1.850 20 0 BDADLO CC1(C)C[N@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCC[C@H]21 ZINC000328874483 353167496 /nfs/dbraw/zinc/16/74/96/353167496.db2.gz RPRJBSMTXKYMLU-RKDXNWHRSA-N 1 2 236.319 1.521 20 0 BDADLO CC1(C)C[N@@H+](Cc2n[nH]c(=O)[nH]2)[C@@H]2CCC[C@H]21 ZINC000328874483 353167497 /nfs/dbraw/zinc/16/74/97/353167497.db2.gz RPRJBSMTXKYMLU-RKDXNWHRSA-N 1 2 236.319 1.521 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ccns1)CC2 ZINC000638974707 353180445 /nfs/dbraw/zinc/18/04/45/353180445.db2.gz QDHKQDQDDDNHBM-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000331346298 353245169 /nfs/dbraw/zinc/24/51/69/353245169.db2.gz VZZWJWPRWADOSA-SNVBAGLBSA-N 1 2 222.288 1.798 20 0 BDADLO c1nnc(NCc2c[nH+]c3ccccn23)s1 ZINC000134423360 538112243 /nfs/dbraw/zinc/11/22/43/538112243.db2.gz PXEXZEHCRNWQTD-UHFFFAOYSA-N 1 2 231.284 1.798 20 0 BDADLO COc1ccc(N[C@H]2CCO[C@H]2C)[nH+]c1 ZINC000225835574 538114215 /nfs/dbraw/zinc/11/42/15/538114215.db2.gz KOCVNYXTOKDAAC-WPRPVWTQSA-N 1 2 208.261 1.680 20 0 BDADLO CC[S@](=O)CCNc1[nH+]cccc1OC ZINC000217390655 324043110 /nfs/dbraw/zinc/04/31/10/324043110.db2.gz ICIVPBAQDMWETE-HNNXBMFYSA-N 1 2 228.317 1.271 20 0 BDADLO COC1CC(N(C)c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000343277247 353306180 /nfs/dbraw/zinc/30/61/80/353306180.db2.gz VHPWWOGYDLZSFY-UHFFFAOYSA-N 1 2 246.314 1.880 20 0 BDADLO CC(C)c1nc(N(C)[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000343286097 353354954 /nfs/dbraw/zinc/35/49/54/353354954.db2.gz METLEZUWTUHSBV-QWRGUYRKSA-N 1 2 235.331 1.950 20 0 BDADLO CO[C@@H](C[NH2+]CC(F)(F)CO)CC(C)C ZINC000639055409 353358039 /nfs/dbraw/zinc/35/80/39/353358039.db2.gz ZXZGKDIJGGCHFS-SECBINFHSA-N 1 2 225.279 1.265 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)nn1 ZINC000135613700 538115812 /nfs/dbraw/zinc/11/58/12/538115812.db2.gz RFNFQCZRPVTJMI-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO CC[N@H+](CC(F)F)C[C@]1(OC)CCOC1 ZINC000639058053 353363739 /nfs/dbraw/zinc/36/37/39/353363739.db2.gz GLKHAYBVPYMMHL-SNVBAGLBSA-N 1 2 223.263 1.379 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@]1(OC)CCOC1 ZINC000639058053 353363743 /nfs/dbraw/zinc/36/37/43/353363743.db2.gz GLKHAYBVPYMMHL-SNVBAGLBSA-N 1 2 223.263 1.379 20 0 BDADLO CC[C@H](O)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178091791 366088050 /nfs/dbraw/zinc/08/80/50/366088050.db2.gz XLOGTXZRGAAJQQ-NSHDSACASA-N 1 2 247.298 1.225 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC[C@H]1CCO1 ZINC000639084512 353422060 /nfs/dbraw/zinc/42/20/60/353422060.db2.gz OPDASTZXNFMPER-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC[C@H]1CCO1 ZINC000639084512 353422061 /nfs/dbraw/zinc/42/20/61/353422061.db2.gz OPDASTZXNFMPER-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)[C@@H](C)[C@@H](C)O1 ZINC000572485670 324127129 /nfs/dbraw/zinc/12/71/29/324127129.db2.gz BHGCATCONAWYRT-OUAUKWLOSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)[C@@H](C)[C@@H](C)O1 ZINC000572485670 324127134 /nfs/dbraw/zinc/12/71/34/324127134.db2.gz BHGCATCONAWYRT-OUAUKWLOSA-N 1 2 221.304 1.474 20 0 BDADLO O[C@@H]1C[N@H+](CCC[C@@H]2CCO2)CC(F)(F)C1 ZINC000639096053 353482529 /nfs/dbraw/zinc/48/25/29/353482529.db2.gz ZQTTUQFSIWPTDP-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1C[N@@H+](CCC[C@@H]2CCO2)CC(F)(F)C1 ZINC000639096053 353482531 /nfs/dbraw/zinc/48/25/31/353482531.db2.gz ZQTTUQFSIWPTDP-VHSXEESVSA-N 1 2 235.274 1.257 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000053097179 353557154 /nfs/dbraw/zinc/55/71/54/353557154.db2.gz IOOGGGCUWPTQKQ-UHFFFAOYSA-N 1 2 243.347 1.613 20 0 BDADLO Cn1nnc(C[NH2+]C(C)(C)c2cccc(F)c2)n1 ZINC000193003297 353572135 /nfs/dbraw/zinc/57/21/35/353572135.db2.gz NXDWCNYMNJQYOV-UHFFFAOYSA-N 1 2 249.293 1.374 20 0 BDADLO CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608205378 353615014 /nfs/dbraw/zinc/61/50/14/353615014.db2.gz CHLBMWMNVBWCIV-ZDUSSCGKSA-N 1 2 243.310 1.840 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000334518541 353654683 /nfs/dbraw/zinc/65/46/83/353654683.db2.gz IUWGLJIGKYADBP-NSHDSACASA-N 1 2 232.327 1.791 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000334518541 353654687 /nfs/dbraw/zinc/65/46/87/353654687.db2.gz IUWGLJIGKYADBP-NSHDSACASA-N 1 2 232.327 1.791 20 0 BDADLO Fc1cccc2c1[C@@H]([NH2+]Cc1cncnc1)CO2 ZINC000373287971 181006807 /nfs/dbraw/zinc/00/68/07/181006807.db2.gz XIJBPAFMERTSIB-NSHDSACASA-N 1 2 245.257 1.839 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@@]12CCCC(C)(C)C2 ZINC000189889842 353715264 /nfs/dbraw/zinc/71/52/64/353715264.db2.gz WLXZZIUOJKKJEH-LBPRGKRZSA-N 1 2 210.321 1.735 20 0 BDADLO CC[N@H+]1CC(=O)N[C@@]12CCCC(C)(C)C2 ZINC000189889842 353715266 /nfs/dbraw/zinc/71/52/66/353715266.db2.gz WLXZZIUOJKKJEH-LBPRGKRZSA-N 1 2 210.321 1.735 20 0 BDADLO Fc1cccc(NCCn2cc[nH+]c2)n1 ZINC000042543285 181001911 /nfs/dbraw/zinc/00/19/11/181001911.db2.gz XUHUJGYAEPCJKK-UHFFFAOYSA-N 1 2 206.224 1.529 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528391702 324218756 /nfs/dbraw/zinc/21/87/56/324218756.db2.gz AFRCWRDMYGLSFS-VIFPVBQESA-N 1 2 239.344 1.636 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000528391702 324218760 /nfs/dbraw/zinc/21/87/60/324218760.db2.gz AFRCWRDMYGLSFS-VIFPVBQESA-N 1 2 239.344 1.636 20 0 BDADLO OCc1ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]c1 ZINC000639132171 353841358 /nfs/dbraw/zinc/84/13/58/353841358.db2.gz GJYBVSBNZQBLJR-RTXFEEFZSA-N 1 2 232.327 1.844 20 0 BDADLO CCCN(C)c1nc[nH+]c(N)c1Cl ZINC000233025572 353788926 /nfs/dbraw/zinc/78/89/26/353788926.db2.gz YGTAONPMVPNDTE-UHFFFAOYSA-N 1 2 200.673 1.558 20 0 BDADLO CCCN(C)c1[nH+]cnc(N)c1Cl ZINC000233025572 353788928 /nfs/dbraw/zinc/78/89/28/353788928.db2.gz YGTAONPMVPNDTE-UHFFFAOYSA-N 1 2 200.673 1.558 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000334532295 353911045 /nfs/dbraw/zinc/91/10/45/353911045.db2.gz PRIXFXLJZQRLTP-BETUJISGSA-N 1 2 247.342 1.922 20 0 BDADLO CC(C)n1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000353837654 353935232 /nfs/dbraw/zinc/93/52/32/353935232.db2.gz CNXODWGADVRQMG-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO C[C@@]1(F)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343564923 353935915 /nfs/dbraw/zinc/93/59/15/353935915.db2.gz PZJSGHGLXXHISZ-FRRDWIJNSA-N 1 2 242.338 1.284 20 0 BDADLO C[C@@]1(F)CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343564923 353935918 /nfs/dbraw/zinc/93/59/18/353935918.db2.gz PZJSGHGLXXHISZ-FRRDWIJNSA-N 1 2 242.338 1.284 20 0 BDADLO Cc1nc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(C)c(C)[nH+]1 ZINC000343474805 353901782 /nfs/dbraw/zinc/90/17/82/353901782.db2.gz LPAAWSGXKVPVDZ-RWMBFGLXSA-N 1 2 247.342 1.609 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCOCC1 ZINC000334543935 353979653 /nfs/dbraw/zinc/97/96/53/353979653.db2.gz TVIFHMKUHILJFT-UHFFFAOYSA-N 1 2 245.282 1.197 20 0 BDADLO Cc1nc(NCC[C@H]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000343652736 353954386 /nfs/dbraw/zinc/95/43/86/353954386.db2.gz LVIJSMRMBLCYQX-JQWIXIFHSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nc(NCC[C@@H]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000343652735 353954551 /nfs/dbraw/zinc/95/45/51/353954551.db2.gz LVIJSMRMBLCYQX-CMPLNLGQSA-N 1 2 235.331 1.824 20 0 BDADLO CC(C)c1nc(N(C)CCn2cccn2)cc[nH+]1 ZINC000110599421 188535172 /nfs/dbraw/zinc/53/51/72/188535172.db2.gz IKKLWZMTSIKKOI-UHFFFAOYSA-N 1 2 245.330 1.933 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1C[C@H](O)C(C)(C)C ZINC000343914914 354040476 /nfs/dbraw/zinc/04/04/76/354040476.db2.gz VZFSZTCYABDAIK-ZJUUUORDSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1C[C@H](O)C(C)(C)C ZINC000343914914 354040478 /nfs/dbraw/zinc/04/04/78/354040478.db2.gz VZFSZTCYABDAIK-ZJUUUORDSA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C(=O)OC ZINC000343814477 354012458 /nfs/dbraw/zinc/01/24/58/354012458.db2.gz LFAAAFCVWPIECC-GARJFASQSA-N 1 2 245.363 1.571 20 0 BDADLO CC(=O)N1CC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC000165903693 354016784 /nfs/dbraw/zinc/01/67/84/354016784.db2.gz ZCBQKHHCDYUNQM-GFCCVEGCSA-N 1 2 248.330 1.090 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCSC2)[nH]1 ZINC000334550389 354018574 /nfs/dbraw/zinc/01/85/74/354018574.db2.gz ZASJCLKHOXNSIK-MRVPVSSYSA-N 1 2 212.322 1.050 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCSC2)[nH]1 ZINC000334550389 354018575 /nfs/dbraw/zinc/01/85/75/354018575.db2.gz ZASJCLKHOXNSIK-MRVPVSSYSA-N 1 2 212.322 1.050 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1cccc(O)c1 ZINC000038032198 358481712 /nfs/dbraw/zinc/48/17/12/358481712.db2.gz VVHHUXNFQPZODQ-UHFFFAOYSA-N 1 2 245.282 1.295 20 0 BDADLO CC(=O)c1cccc(C(=O)NCC[NH+]2CCC2)c1 ZINC000337573537 188543657 /nfs/dbraw/zinc/54/36/57/188543657.db2.gz DXGFDWBWBYMMPW-UHFFFAOYSA-N 1 2 246.310 1.325 20 0 BDADLO CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCS1 ZINC000074186067 354035304 /nfs/dbraw/zinc/03/53/04/354035304.db2.gz IHFZFKRAEZJMMH-SNVBAGLBSA-N 1 2 239.344 1.237 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000343988249 354061580 /nfs/dbraw/zinc/06/15/80/354061580.db2.gz QJRUZBZBIVMHDJ-VWYCJHECSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC=C(F)C1 ZINC000334562992 354077990 /nfs/dbraw/zinc/07/79/90/354077990.db2.gz YQQPVGQFVNQZGC-LLVKDONJSA-N 1 2 240.322 1.947 20 0 BDADLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC=C(F)C1 ZINC000334562992 354077992 /nfs/dbraw/zinc/07/79/92/354077992.db2.gz YQQPVGQFVNQZGC-LLVKDONJSA-N 1 2 240.322 1.947 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000343983724 354059170 /nfs/dbraw/zinc/05/91/70/354059170.db2.gz VFFPURZHRZQSBW-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000343983724 354059174 /nfs/dbraw/zinc/05/91/74/354059174.db2.gz VFFPURZHRZQSBW-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1nccs1 ZINC000344169459 354170350 /nfs/dbraw/zinc/17/03/50/354170350.db2.gz GJXIXLWTJKWFTM-UHFFFAOYSA-N 1 2 222.273 1.438 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccccn1 ZINC000344113454 354140453 /nfs/dbraw/zinc/14/04/53/354140453.db2.gz BQUIGUBAYUQCCW-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344137611 354150356 /nfs/dbraw/zinc/15/03/56/354150356.db2.gz IANYZUMCEMOGSW-MRVPVSSYSA-N 1 2 210.281 1.098 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCc1ccccc1O ZINC000344146503 354154210 /nfs/dbraw/zinc/15/42/10/354154210.db2.gz GDQFXYKLUUIWFC-UHFFFAOYSA-N 1 2 245.326 1.800 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCc1ccccc1O ZINC000344146503 354154214 /nfs/dbraw/zinc/15/42/14/354154214.db2.gz GDQFXYKLUUIWFC-UHFFFAOYSA-N 1 2 245.326 1.800 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccn1 ZINC000344152859 354156872 /nfs/dbraw/zinc/15/68/72/354156872.db2.gz DWZNCKNAZVVPBK-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)c(O)c1 ZINC000344154922 354156983 /nfs/dbraw/zinc/15/69/83/354156983.db2.gz IHOPJFNSRRBCNN-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO C[C@H]1C[N@H+](CCOCC2CC2)CCC1=O ZINC000231243884 363340438 /nfs/dbraw/zinc/34/04/38/363340438.db2.gz FTWWPXZZCYCMCN-JTQLQIEISA-N 1 2 211.305 1.324 20 0 BDADLO C[C@H]1C[N@@H+](CCOCC2CC2)CCC1=O ZINC000231243884 363340445 /nfs/dbraw/zinc/34/04/45/363340445.db2.gz FTWWPXZZCYCMCN-JTQLQIEISA-N 1 2 211.305 1.324 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1O ZINC000344192784 354179789 /nfs/dbraw/zinc/17/97/89/354179789.db2.gz NISDILDZUJNEFS-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO CCn1ncnc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000639175542 354181065 /nfs/dbraw/zinc/18/10/65/354181065.db2.gz QUCNMKJWRDGTKR-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1ncnc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000639175542 354181068 /nfs/dbraw/zinc/18/10/68/354181068.db2.gz QUCNMKJWRDGTKR-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CO[C@@H]1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000231684493 363349089 /nfs/dbraw/zinc/34/90/89/363349089.db2.gz BSWLWUJSBITYCL-VHSXEESVSA-N 1 2 207.277 1.764 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCS[C@H](C)C2)nn1 ZINC000334584941 354207942 /nfs/dbraw/zinc/20/79/42/354207942.db2.gz IPSQCGHLAZENLA-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCS[C@H](C)C2)nn1 ZINC000334584941 354207944 /nfs/dbraw/zinc/20/79/44/354207944.db2.gz IPSQCGHLAZENLA-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C)O1 ZINC000232030025 363360900 /nfs/dbraw/zinc/36/09/00/363360900.db2.gz QZAYHXANNVUOAI-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C)O1 ZINC000232030025 363360904 /nfs/dbraw/zinc/36/09/04/363360904.db2.gz QZAYHXANNVUOAI-ZJUUUORDSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)n(C)n1 ZINC000334596661 354230706 /nfs/dbraw/zinc/23/07/06/354230706.db2.gz GOARWNJWFMMUGW-STQMWFEESA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)n(C)n1 ZINC000334596661 354230708 /nfs/dbraw/zinc/23/07/08/354230708.db2.gz GOARWNJWFMMUGW-STQMWFEESA-N 1 2 235.331 1.482 20 0 BDADLO Cc1occc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000334608782 354316472 /nfs/dbraw/zinc/31/64/72/354316472.db2.gz FNBLLRTXJURBIU-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1occc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000334608782 354316475 /nfs/dbraw/zinc/31/64/75/354316475.db2.gz FNBLLRTXJURBIU-CYBMUJFWSA-N 1 2 237.299 1.579 20 0 BDADLO CCC[C@@H](C[N@H+](C)Cc1nncn1C)OC ZINC000639181857 354318262 /nfs/dbraw/zinc/31/82/62/354318262.db2.gz CNWDYLDKTBHPNF-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CCC[C@@H](C[N@@H+](C)Cc1nncn1C)OC ZINC000639181857 354318265 /nfs/dbraw/zinc/31/82/65/354318265.db2.gz CNWDYLDKTBHPNF-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334633061 354377029 /nfs/dbraw/zinc/37/70/29/354377029.db2.gz GWGCTORQUGGTCZ-ZYHUDNBSSA-N 1 2 246.310 1.695 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334633061 354377032 /nfs/dbraw/zinc/37/70/32/354377032.db2.gz GWGCTORQUGGTCZ-ZYHUDNBSSA-N 1 2 246.310 1.695 20 0 BDADLO CC(C)=CC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263549 354392781 /nfs/dbraw/zinc/39/27/81/354392781.db2.gz TUMVOAXSCNWFCA-NSHDSACASA-N 1 2 245.388 1.850 20 0 BDADLO CC(C)=CC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263549 354392783 /nfs/dbraw/zinc/39/27/83/354392783.db2.gz TUMVOAXSCNWFCA-NSHDSACASA-N 1 2 245.388 1.850 20 0 BDADLO Cc1nc(NCC(C)(C)S(C)(=O)=O)cc[nH+]1 ZINC000086504390 491062478 /nfs/dbraw/zinc/06/24/78/491062478.db2.gz STHGWXIEMFMRNM-UHFFFAOYSA-N 1 2 243.332 1.020 20 0 BDADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]1C1CC1 ZINC000334687522 354433543 /nfs/dbraw/zinc/43/35/43/354433543.db2.gz AHCIYODZAUTKEC-JQWIXIFHSA-N 1 2 245.326 1.841 20 0 BDADLO OC[C@@]1(F)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000334673671 354416319 /nfs/dbraw/zinc/41/63/19/354416319.db2.gz AXTZBXKKHUEUNW-GFCCVEGCSA-N 1 2 235.262 1.474 20 0 BDADLO C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CC=CCC1 ZINC000334661524 354460746 /nfs/dbraw/zinc/46/07/46/354460746.db2.gz RHXJYPBINRHINZ-CQSZACIVSA-N 1 2 245.326 1.972 20 0 BDADLO C[NH+](C)Cc1nc(CCC2CCOCC2)no1 ZINC000349736440 366222180 /nfs/dbraw/zinc/22/21/80/366222180.db2.gz ZZYAAOYTHLNADS-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000334698642 354490554 /nfs/dbraw/zinc/49/05/54/354490554.db2.gz NZAZZCRBSXEGNH-SECBINFHSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000334698642 354490556 /nfs/dbraw/zinc/49/05/56/354490556.db2.gz NZAZZCRBSXEGNH-SECBINFHSA-N 1 2 216.300 1.287 20 0 BDADLO COC(=O)[C@]1(C)CCCN(c2cccc[nH+]2)C1 ZINC000334724959 354524385 /nfs/dbraw/zinc/52/43/85/354524385.db2.gz AGTNGKRMWSBLPV-CYBMUJFWSA-N 1 2 234.299 1.861 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)c[nH+]1 ZINC000412688203 191306560 /nfs/dbraw/zinc/30/65/60/191306560.db2.gz OVQZXBFCWIQDRJ-WEDXCCLWSA-N 1 2 237.303 1.261 20 0 BDADLO Cc1nnc(C[NH+]2CCC(C(F)F)CC2)[nH]1 ZINC000334762330 354582145 /nfs/dbraw/zinc/58/21/45/354582145.db2.gz LFPCBVFAGJIENF-UHFFFAOYSA-N 1 2 230.262 1.590 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334761969 354582223 /nfs/dbraw/zinc/58/22/23/354582223.db2.gz BMRYZSPYQSZCSD-QMMMGPOBSA-N 1 2 221.304 1.744 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334761969 354582226 /nfs/dbraw/zinc/58/22/26/354582226.db2.gz BMRYZSPYQSZCSD-QMMMGPOBSA-N 1 2 221.304 1.744 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H](F)C1 ZINC000335089468 354624134 /nfs/dbraw/zinc/62/41/34/354624134.db2.gz GDBPKDVMUDBSGP-RKDXNWHRSA-N 1 2 225.267 1.554 20 0 BDADLO Cc1ccncc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000345351138 354624830 /nfs/dbraw/zinc/62/48/30/354624830.db2.gz ZGFIXIDSGNHOCZ-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCOC(C)C ZINC000345635958 354720061 /nfs/dbraw/zinc/72/00/61/354720061.db2.gz JBJZPDMFQFUMJM-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCCOC(C)C ZINC000345635958 354720063 /nfs/dbraw/zinc/72/00/63/354720063.db2.gz JBJZPDMFQFUMJM-UHFFFAOYSA-N 1 2 239.319 1.192 20 0 BDADLO CCC(=O)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000345604429 354728568 /nfs/dbraw/zinc/72/85/68/354728568.db2.gz VINKWBFUNQMGJT-UHFFFAOYSA-N 1 2 248.326 1.214 20 0 BDADLO CCC(=O)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000345604429 354728571 /nfs/dbraw/zinc/72/85/71/354728571.db2.gz VINKWBFUNQMGJT-UHFFFAOYSA-N 1 2 248.326 1.214 20 0 BDADLO CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345440509 354670026 /nfs/dbraw/zinc/67/00/26/354670026.db2.gz CPAINFPVGASCPB-LBPRGKRZSA-N 1 2 249.314 1.654 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000335127186 354772013 /nfs/dbraw/zinc/77/20/13/354772013.db2.gz MENNQRUPDQECBZ-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000335127186 354772015 /nfs/dbraw/zinc/77/20/15/354772015.db2.gz MENNQRUPDQECBZ-STQMWFEESA-N 1 2 233.359 1.914 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(F)(F)C1 ZINC000335134335 354783011 /nfs/dbraw/zinc/78/30/11/354783011.db2.gz WGNGKCOIPLJGQO-UHFFFAOYSA-N 1 2 201.220 1.261 20 0 BDADLO Cc1ncc([C@@H](C)[N@@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000639218457 354869393 /nfs/dbraw/zinc/86/93/93/354869393.db2.gz NNNAVNSRMXUXDF-GXSJLCMTSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@@H](C)[N@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000639218457 354869397 /nfs/dbraw/zinc/86/93/97/354869397.db2.gz NNNAVNSRMXUXDF-GXSJLCMTSA-N 1 2 235.331 1.875 20 0 BDADLO CCc1cnc(C[N@H+](CCO)C2CC2)s1 ZINC000346165817 354872956 /nfs/dbraw/zinc/87/29/56/354872956.db2.gz FJIZWXWERQMJBL-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CCc1cnc(C[N@@H+](CCO)C2CC2)s1 ZINC000346165817 354872959 /nfs/dbraw/zinc/87/29/59/354872959.db2.gz FJIZWXWERQMJBL-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@H]1SCC ZINC000233655312 363404791 /nfs/dbraw/zinc/40/47/91/363404791.db2.gz NQDGBVOIQFCXIL-NXEZZACHSA-N 1 2 231.361 1.813 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOCC(F)F ZINC000346411708 354915674 /nfs/dbraw/zinc/91/56/74/354915674.db2.gz KWRVOHVHPWSOQS-QMMMGPOBSA-N 1 2 239.262 1.152 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCC(F)F ZINC000346411708 354915677 /nfs/dbraw/zinc/91/56/77/354915677.db2.gz KWRVOHVHPWSOQS-QMMMGPOBSA-N 1 2 239.262 1.152 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](CO)[C@@H]1C ZINC000335168491 354929408 /nfs/dbraw/zinc/92/94/08/354929408.db2.gz GYADQMKJCVCCRT-WDEREUQCSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000346440079 354937645 /nfs/dbraw/zinc/93/76/45/354937645.db2.gz WMLGGPCSJGLODE-ZYHUDNBSSA-N 1 2 243.314 1.718 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000346440079 354937649 /nfs/dbraw/zinc/93/76/49/354937649.db2.gz WMLGGPCSJGLODE-ZYHUDNBSSA-N 1 2 243.314 1.718 20 0 BDADLO Cc1cccc(C[N@H+](C)CC(=O)NC(C)(C)C)n1 ZINC000346442639 354938795 /nfs/dbraw/zinc/93/87/95/354938795.db2.gz VFFUJASEWPAMMM-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC(=O)NC(C)(C)C)n1 ZINC000346442639 354938797 /nfs/dbraw/zinc/93/87/97/354938797.db2.gz VFFUJASEWPAMMM-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cccc(COCc2[nH]cc[nH+]2)n1 ZINC000346629186 354997499 /nfs/dbraw/zinc/99/74/99/354997499.db2.gz RVULVLKNKIMQQR-UHFFFAOYSA-N 1 2 203.245 1.830 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)[C@@H]2C)[nH]1 ZINC000335209263 355045884 /nfs/dbraw/zinc/04/58/84/355045884.db2.gz BFPRPUXXMPMNHH-JGVFFNPUSA-N 1 2 226.349 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)[nH]1 ZINC000335209263 355045888 /nfs/dbraw/zinc/04/58/88/355045888.db2.gz BFPRPUXXMPMNHH-JGVFFNPUSA-N 1 2 226.349 1.439 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(F)F ZINC000335204365 355038799 /nfs/dbraw/zinc/03/87/99/355038799.db2.gz JNXQOIUEZNRENY-VIFPVBQESA-N 1 2 243.257 1.387 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)[C@H]2C)[nH]1 ZINC000335209264 355046076 /nfs/dbraw/zinc/04/60/76/355046076.db2.gz BFPRPUXXMPMNHH-SFYZADRCSA-N 1 2 226.349 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)[nH]1 ZINC000335209264 355046078 /nfs/dbraw/zinc/04/60/78/355046078.db2.gz BFPRPUXXMPMNHH-SFYZADRCSA-N 1 2 226.349 1.439 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC=C(F)C1 ZINC000335967283 134028565 /nfs/dbraw/zinc/02/85/65/134028565.db2.gz BUIUNYDCBWJUPR-JTQLQIEISA-N 1 2 249.289 1.531 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000335196885 355029449 /nfs/dbraw/zinc/02/94/49/355029449.db2.gz UYIFGMUFIZATQJ-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000335196885 355029451 /nfs/dbraw/zinc/02/94/51/355029451.db2.gz UYIFGMUFIZATQJ-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000639228812 355108619 /nfs/dbraw/zinc/10/86/19/355108619.db2.gz QICUIIZSRLCXQL-GHMZBOCLSA-N 1 2 223.295 1.915 20 0 BDADLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CC[C@@H](F)C1 ZINC000639228812 355108620 /nfs/dbraw/zinc/10/86/20/355108620.db2.gz QICUIIZSRLCXQL-GHMZBOCLSA-N 1 2 223.295 1.915 20 0 BDADLO Cc1noc(C)c1CCOCc1[nH]cc[nH+]1 ZINC000346731154 355088687 /nfs/dbraw/zinc/08/86/87/355088687.db2.gz WWIXFAIEFGIOLD-UHFFFAOYSA-N 1 2 221.260 1.774 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1C ZINC000449757920 202024456 /nfs/dbraw/zinc/02/44/56/202024456.db2.gz FBEKMHFDAAYEKX-LBPRGKRZSA-N 1 2 223.320 1.719 20 0 BDADLO CCc1nc(C(=O)NCCCn2cc[nH+]c2)co1 ZINC000346825012 355126494 /nfs/dbraw/zinc/12/64/94/355126494.db2.gz SRNRVEUMZAKGPV-UHFFFAOYSA-N 1 2 248.286 1.254 20 0 BDADLO COC[C@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000346849124 355136878 /nfs/dbraw/zinc/13/68/78/355136878.db2.gz VVQAKTCGLYBVBP-SECBINFHSA-N 1 2 222.288 1.423 20 0 BDADLO COc1cccc(C)c1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000639230675 355172100 /nfs/dbraw/zinc/17/21/00/355172100.db2.gz CUYQIRMIRGBCEQ-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000639230675 355172102 /nfs/dbraw/zinc/17/21/02/355172102.db2.gz CUYQIRMIRGBCEQ-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCn2ccnc2C1 ZINC000335258616 355196882 /nfs/dbraw/zinc/19/68/82/355196882.db2.gz LORLKKFYZRMMOF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1cnccc1C[N@H+]1CCn2ccnc2C1 ZINC000335258616 355196883 /nfs/dbraw/zinc/19/68/83/355196883.db2.gz LORLKKFYZRMMOF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO CC(=O)[C@H](C)SCC[N@@H+]1CCOC[C@H]1C ZINC000413000485 191334450 /nfs/dbraw/zinc/33/44/50/191334450.db2.gz PDQZQZZRVKNTIB-KOLCDFICSA-N 1 2 231.361 1.418 20 0 BDADLO CC(=O)[C@H](C)SCC[N@H+]1CCOC[C@H]1C ZINC000413000485 191334452 /nfs/dbraw/zinc/33/44/52/191334452.db2.gz PDQZQZZRVKNTIB-KOLCDFICSA-N 1 2 231.361 1.418 20 0 BDADLO C[C@H](O)C[N@H+](CCC[C@H]1CCO1)CC(F)F ZINC000639236016 355220677 /nfs/dbraw/zinc/22/06/77/355220677.db2.gz WQPPDRCUPORWIW-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@H](O)C[N@@H+](CCC[C@H]1CCO1)CC(F)F ZINC000639236016 355220679 /nfs/dbraw/zinc/22/06/79/355220679.db2.gz WQPPDRCUPORWIW-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO COc1c(C)c[nH+]c(CSCC(N)=O)c1C ZINC000413021905 191342144 /nfs/dbraw/zinc/34/21/44/191342144.db2.gz XKEVISSTHPZZEF-UHFFFAOYSA-N 1 2 240.328 1.426 20 0 BDADLO CC(C)[C@@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000413442674 191383791 /nfs/dbraw/zinc/38/37/91/191383791.db2.gz UZAWSBZOHUYXMX-WCBMZHEXSA-N 1 2 231.303 1.820 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H](C)O[C@H]2C)cc[nH+]1 ZINC000413531579 191393168 /nfs/dbraw/zinc/39/31/68/191393168.db2.gz LYOXCKNRJRRGCC-QXEWZRGKSA-N 1 2 221.304 1.432 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@H](O)C(C)C ZINC000413542696 191395142 /nfs/dbraw/zinc/39/51/42/191395142.db2.gz OEPJJRIGBCOIFP-CMPLNLGQSA-N 1 2 223.320 1.992 20 0 BDADLO CC(C)OCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413243420 191365933 /nfs/dbraw/zinc/36/59/33/191365933.db2.gz XZGMLOYABRQABY-UHFFFAOYSA-N 1 2 236.319 1.888 20 0 BDADLO CC(C)OCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413243420 191365935 /nfs/dbraw/zinc/36/59/35/191365935.db2.gz XZGMLOYABRQABY-UHFFFAOYSA-N 1 2 236.319 1.888 20 0 BDADLO OC[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000413317902 191372864 /nfs/dbraw/zinc/37/28/64/191372864.db2.gz ZQBTXTQKAZRQDY-SNVBAGLBSA-N 1 2 248.330 1.481 20 0 BDADLO OC[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000413317902 191372866 /nfs/dbraw/zinc/37/28/66/191372866.db2.gz ZQBTXTQKAZRQDY-SNVBAGLBSA-N 1 2 248.330 1.481 20 0 BDADLO COc1ccnc(NCCc2ccc(C)c[nH+]2)n1 ZINC000413352692 191373119 /nfs/dbraw/zinc/37/31/19/191373119.db2.gz NRQATANHGRVWQP-UHFFFAOYSA-N 1 2 244.298 1.265 20 0 BDADLO Cc1nc(N2CC(C(C)(C)C)C2)nc(N(C)C)[nH+]1 ZINC000413359680 191374552 /nfs/dbraw/zinc/37/45/52/191374552.db2.gz HRMWXRQFVFRCCI-UHFFFAOYSA-N 1 2 249.362 1.728 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(C(C)(C)C)C2)[nH+]1 ZINC000413359680 191374554 /nfs/dbraw/zinc/37/45/54/191374554.db2.gz HRMWXRQFVFRCCI-UHFFFAOYSA-N 1 2 249.362 1.728 20 0 BDADLO O[C@H]1CCC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000413377729 191376789 /nfs/dbraw/zinc/37/67/89/191376789.db2.gz OSZMFWHGBQCBOP-YGRLFVJLSA-N 1 2 243.310 1.625 20 0 BDADLO COC[C@@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335339160 355290177 /nfs/dbraw/zinc/29/01/77/355290177.db2.gz JPIZMILGGHPSOZ-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO COC[C@@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000335339160 355290182 /nfs/dbraw/zinc/29/01/82/355290182.db2.gz JPIZMILGGHPSOZ-RKDXNWHRSA-N 1 2 207.264 1.998 20 0 BDADLO CC1(O)C[NH+](Cc2cc3cnccc3o2)C1 ZINC000639253899 355293097 /nfs/dbraw/zinc/29/30/97/355293097.db2.gz UJTGSMQIFVCFFZ-UHFFFAOYSA-N 1 2 218.256 1.394 20 0 BDADLO COc1cc(C[NH+]2CC(C)(O)C2)ccc1C ZINC000639253939 355293516 /nfs/dbraw/zinc/29/35/16/355293516.db2.gz VQNJOKMMVBTMJV-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(CO)C2)sn1 ZINC000639254889 355295011 /nfs/dbraw/zinc/29/50/11/355295011.db2.gz GAAOSNBZCMXDGC-UHFFFAOYSA-N 1 2 212.318 1.266 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cc(F)c[nH]1 ZINC000335436662 355307632 /nfs/dbraw/zinc/30/76/32/355307632.db2.gz PAHSMOXGPTYCRS-UHFFFAOYSA-N 1 2 219.219 1.531 20 0 BDADLO Cc1cc(N2CCC[C@H](CO)[C@H]2C)nc[nH+]1 ZINC000413587371 191398632 /nfs/dbraw/zinc/39/86/32/191398632.db2.gz FLPWPDMRMHPNNO-GHMZBOCLSA-N 1 2 221.304 1.382 20 0 BDADLO Cc1nc(N2CCC[C@H](CO)[C@@H]2C)cc[nH+]1 ZINC000413591721 191398669 /nfs/dbraw/zinc/39/86/69/191398669.db2.gz JGDZXIGQSOCWFY-GXSJLCMTSA-N 1 2 221.304 1.382 20 0 BDADLO CCOC1C[NH+](Cc2cncc(OC)c2C)C1 ZINC000639250531 355283610 /nfs/dbraw/zinc/28/36/10/355283610.db2.gz STAIBMLEKODYJO-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349234992 355371868 /nfs/dbraw/zinc/37/18/68/355371868.db2.gz FLYAHLPJXHCBBG-NXEZZACHSA-N 1 2 239.319 1.486 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349242193 355375173 /nfs/dbraw/zinc/37/51/73/355375173.db2.gz OIICRQUVBSTCEW-ZJUUUORDSA-N 1 2 239.319 1.581 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCCCOC ZINC000639274231 355342262 /nfs/dbraw/zinc/34/22/62/355342262.db2.gz VOIIERSAMVNASJ-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCCCOC ZINC000639274231 355342266 /nfs/dbraw/zinc/34/22/66/355342266.db2.gz VOIIERSAMVNASJ-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO COc1cc[nH+]cc1NCc1ccc(C)nn1 ZINC000414360673 191498625 /nfs/dbraw/zinc/49/86/25/191498625.db2.gz OAWMTMVFYQWMIF-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000335793738 355447831 /nfs/dbraw/zinc/44/78/31/355447831.db2.gz KYEDFEJPJZSUAC-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@@H]1C ZINC000349680915 355409788 /nfs/dbraw/zinc/40/97/88/355409788.db2.gz SGUWBJIYUYLDHY-HBNTYKKESA-N 1 2 236.319 1.369 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000349679663 355410067 /nfs/dbraw/zinc/41/00/67/355410067.db2.gz MFUWAOKWEIWEDL-MNOVXSKESA-N 1 2 236.319 1.371 20 0 BDADLO Cc1cnc(C[NH2+][C@H](CO)c2ccsc2)cn1 ZINC000349695149 355412530 /nfs/dbraw/zinc/41/25/30/355412530.db2.gz CDMUXOPUHFBNBL-GFCCVEGCSA-N 1 2 249.339 1.670 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)C)CCC2 ZINC000335780373 355427446 /nfs/dbraw/zinc/42/74/46/355427446.db2.gz FGLXQZWGIXRGKT-SNVBAGLBSA-N 1 2 236.319 1.340 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)cnn2C)C[C@@H](C)O1 ZINC000335811182 355496134 /nfs/dbraw/zinc/49/61/34/355496134.db2.gz QUMYJMPJISPWKN-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)cnn2C)C[C@@H](C)O1 ZINC000335811182 355496136 /nfs/dbraw/zinc/49/61/36/355496136.db2.gz QUMYJMPJISPWKN-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CCc1ccccc1OCc1nc(C[NH2+]C)no1 ZINC000349899373 355522473 /nfs/dbraw/zinc/52/24/73/355522473.db2.gz WBBGVXHSBWRULX-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO C[NH2+]Cc1noc(COc2cccc(C)c2)n1 ZINC000349916131 355525556 /nfs/dbraw/zinc/52/55/56/355525556.db2.gz WJPUNXSPOVRIQD-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOCC23CCC3)nc1 ZINC000335849072 355592911 /nfs/dbraw/zinc/59/29/11/355592911.db2.gz DIURCNCAWPFLCD-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1ccc(C[N@H+]2CCOCC23CCC3)nc1 ZINC000335849072 355592915 /nfs/dbraw/zinc/59/29/15/355592915.db2.gz DIURCNCAWPFLCD-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO CSc1ccc[nH+]c1NCc1ncnn1C ZINC000639294696 355573177 /nfs/dbraw/zinc/57/31/77/355573177.db2.gz KZCCOJSXPRCWRV-UHFFFAOYSA-N 1 2 235.316 1.544 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(=O)[nH]c1 ZINC000639302110 355644967 /nfs/dbraw/zinc/64/49/67/355644967.db2.gz YPGSKEVPQSEZPT-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(=O)[nH]c1 ZINC000639302110 355644968 /nfs/dbraw/zinc/64/49/68/355644968.db2.gz YPGSKEVPQSEZPT-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(=O)[nH]c1 ZINC000639302110 355644969 /nfs/dbraw/zinc/64/49/69/355644969.db2.gz YPGSKEVPQSEZPT-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(=O)[nH]c1 ZINC000639302110 355644970 /nfs/dbraw/zinc/64/49/70/355644970.db2.gz YPGSKEVPQSEZPT-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1occc1C ZINC000350177570 355620707 /nfs/dbraw/zinc/62/07/07/355620707.db2.gz SHVNYCXXYOXFFK-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1occc1C ZINC000350177570 355620710 /nfs/dbraw/zinc/62/07/10/355620710.db2.gz SHVNYCXXYOXFFK-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000336405070 181204236 /nfs/dbraw/zinc/20/42/36/181204236.db2.gz SFDHRMJYHKPLBR-JTQLQIEISA-N 1 2 223.251 1.720 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000336405070 181204237 /nfs/dbraw/zinc/20/42/37/181204237.db2.gz SFDHRMJYHKPLBR-JTQLQIEISA-N 1 2 223.251 1.720 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]3COC[C@H]32)oc1C ZINC000367107098 355709910 /nfs/dbraw/zinc/70/99/10/355709910.db2.gz MCJARTBXFNZAGZ-NWDGAFQWSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]3COC[C@H]32)oc1C ZINC000367107098 355709911 /nfs/dbraw/zinc/70/99/11/355709911.db2.gz MCJARTBXFNZAGZ-NWDGAFQWSA-N 1 2 236.315 1.902 20 0 BDADLO CO[C@@](C)(C[N@@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639318728 355712403 /nfs/dbraw/zinc/71/24/03/355712403.db2.gz AIECNNUTONRIBS-ZDUSSCGKSA-N 1 2 235.331 1.551 20 0 BDADLO CO[C@@](C)(C[N@H+]1Cc2cnn(C)c2C1)C1CC1 ZINC000639318728 355712407 /nfs/dbraw/zinc/71/24/07/355712407.db2.gz AIECNNUTONRIBS-ZDUSSCGKSA-N 1 2 235.331 1.551 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)[nH]1 ZINC000336009038 134050027 /nfs/dbraw/zinc/05/00/27/134050027.db2.gz RKSLPMMLNVCIFQ-MRVPVSSYSA-N 1 2 244.289 1.844 20 0 BDADLO CCc1nnc(C[N@H+]2CCC(F)(F)[C@H](C)C2)[nH]1 ZINC000336009038 134050028 /nfs/dbraw/zinc/05/00/28/134050028.db2.gz RKSLPMMLNVCIFQ-MRVPVSSYSA-N 1 2 244.289 1.844 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009613 134050127 /nfs/dbraw/zinc/05/01/27/134050127.db2.gz YNTZAFSYBKFNLN-KOLCDFICSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336009613 134050128 /nfs/dbraw/zinc/05/01/28/134050128.db2.gz YNTZAFSYBKFNLN-KOLCDFICSA-N 1 2 238.331 1.927 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335892948 355686222 /nfs/dbraw/zinc/68/62/22/355686222.db2.gz ZGEZLPVKYJHDRB-QMMMGPOBSA-N 1 2 227.214 1.017 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1CCOC1 ZINC000350700288 355743820 /nfs/dbraw/zinc/74/38/20/355743820.db2.gz MLFZUNLTQGTKSK-SECBINFHSA-N 1 2 223.263 1.236 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1CCOC1 ZINC000350700288 355743822 /nfs/dbraw/zinc/74/38/22/355743822.db2.gz MLFZUNLTQGTKSK-SECBINFHSA-N 1 2 223.263 1.236 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](C2CC2)C1 ZINC000336019460 134054155 /nfs/dbraw/zinc/05/41/55/134054155.db2.gz JQONMDLJXAREOZ-LLVKDONJSA-N 1 2 248.330 1.362 20 0 BDADLO C[N@@H+]1CCO[C@@H](CSc2ncc(F)cn2)C1 ZINC000584348418 355753423 /nfs/dbraw/zinc/75/34/23/355753423.db2.gz QGBDEDXPDQSDRF-SECBINFHSA-N 1 2 243.307 1.038 20 0 BDADLO C[N@H+]1CCO[C@@H](CSc2ncc(F)cn2)C1 ZINC000584348418 355753425 /nfs/dbraw/zinc/75/34/25/355753425.db2.gz QGBDEDXPDQSDRF-SECBINFHSA-N 1 2 243.307 1.038 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1cnccn1 ZINC000350768490 355756115 /nfs/dbraw/zinc/75/61/15/355756115.db2.gz YHXAKLYGOWTJDR-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1cnccn1 ZINC000350768490 355756116 /nfs/dbraw/zinc/75/61/16/355756116.db2.gz YHXAKLYGOWTJDR-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO COCC1(C[N@@H+]2Cc3cnn(C)c3C2)CCC1 ZINC000639322419 355723631 /nfs/dbraw/zinc/72/36/31/355723631.db2.gz PEMZBNIEOFKMOK-UHFFFAOYSA-N 1 2 235.331 1.552 20 0 BDADLO COCC1(C[N@H+]2Cc3cnn(C)c3C2)CCC1 ZINC000639322419 355723634 /nfs/dbraw/zinc/72/36/34/355723634.db2.gz PEMZBNIEOFKMOK-UHFFFAOYSA-N 1 2 235.331 1.552 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1cscn1)C1CC1 ZINC000425408063 191844862 /nfs/dbraw/zinc/84/48/62/191844862.db2.gz QYKXXMDUEGTVGO-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1cscn1)C1CC1 ZINC000425408063 191844864 /nfs/dbraw/zinc/84/48/64/191844864.db2.gz QYKXXMDUEGTVGO-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N1CCSCC1 ZINC000632757267 355834623 /nfs/dbraw/zinc/83/46/23/355834623.db2.gz QZMOAJSSWLTCCW-UHFFFAOYSA-N 1 2 240.332 1.010 20 0 BDADLO C[C@H](Nc1c[nH+]cc(N(C)C)c1)[C@@H]1CCOC1 ZINC000639364955 355837879 /nfs/dbraw/zinc/83/78/79/355837879.db2.gz KVZFTMSXHLXVIT-WDEREUQCSA-N 1 2 235.331 1.985 20 0 BDADLO COC[C@@H](C)CNc1c[nH+]cc(N(C)C)c1 ZINC000639366782 355845272 /nfs/dbraw/zinc/84/52/72/355845272.db2.gz YXQNWPJBBVCRLQ-JTQLQIEISA-N 1 2 223.320 1.842 20 0 BDADLO C[C@H](Cc1ccsc1)[NH2+]Cc1c[nH]nn1 ZINC000628363041 355846138 /nfs/dbraw/zinc/84/61/38/355846138.db2.gz SFTYNWRZXJQZBZ-MRVPVSSYSA-N 1 2 222.317 1.587 20 0 BDADLO C[C@H](Cc1ccsc1)[NH2+]Cc1cn[nH]n1 ZINC000628363041 355846145 /nfs/dbraw/zinc/84/61/45/355846145.db2.gz SFTYNWRZXJQZBZ-MRVPVSSYSA-N 1 2 222.317 1.587 20 0 BDADLO C[C@@H](Cc1ccoc1)[NH2+]Cc1c[nH]nn1 ZINC000628363583 355849463 /nfs/dbraw/zinc/84/94/63/355849463.db2.gz PPNIEWOUHSNDSH-QMMMGPOBSA-N 1 2 206.249 1.119 20 0 BDADLO C[C@@H](Cc1ccoc1)[NH2+]Cc1cn[nH]n1 ZINC000628363583 355849468 /nfs/dbraw/zinc/84/94/68/355849468.db2.gz PPNIEWOUHSNDSH-QMMMGPOBSA-N 1 2 206.249 1.119 20 0 BDADLO c1c[nH+]c(CNCc2cc3n(n2)CCCC3)[nH]1 ZINC000639367808 355851294 /nfs/dbraw/zinc/85/12/94/355851294.db2.gz URXHDMHPYNMODS-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC(C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000623254843 355856942 /nfs/dbraw/zinc/85/69/42/355856942.db2.gz CEUYNUJESKRGSY-UHFFFAOYSA-N 1 2 223.320 1.778 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@]12C[C@H]1CCC2 ZINC000623255346 355860116 /nfs/dbraw/zinc/86/01/16/355860116.db2.gz BULWFXMXTSWNIQ-GIPNMCIBSA-N 1 2 231.299 1.114 20 0 BDADLO NC(=O)C1([NH2+]Cc2nc3ccc(F)cc3o2)CC1 ZINC000353416985 181215719 /nfs/dbraw/zinc/21/57/19/181215719.db2.gz MHMHHNGPPVJSHU-UHFFFAOYSA-N 1 2 249.245 1.074 20 0 BDADLO COCc1cnc(C[NH2+]C2(C)COC2)s1 ZINC000639380672 355918505 /nfs/dbraw/zinc/91/85/05/355918505.db2.gz IYLHLNVZVMOZCY-UHFFFAOYSA-N 1 2 228.317 1.168 20 0 BDADLO CC[C@H](CC(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256778 355974345 /nfs/dbraw/zinc/97/43/45/355974345.db2.gz VBUOAVLKOMSHHY-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C(F)(F)F)O1 ZINC000608759420 355976195 /nfs/dbraw/zinc/97/61/95/355976195.db2.gz WOYXERKARZWZCZ-YUMQZZPRSA-N 1 2 249.236 1.561 20 0 BDADLO Cc1occc1CNC(=O)Cn1cc[nH+]c1 ZINC000608764290 355977238 /nfs/dbraw/zinc/97/72/38/355977238.db2.gz GTTAFLPPWGFXNW-UHFFFAOYSA-N 1 2 219.244 1.101 20 0 BDADLO CCC[N@H+](Cc1noc(CCOC)n1)C1CC1 ZINC000351488937 355999200 /nfs/dbraw/zinc/99/92/00/355999200.db2.gz GRCUKKAAESGXKI-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCC[N@@H+](Cc1noc(CCOC)n1)C1CC1 ZINC000351488937 355999202 /nfs/dbraw/zinc/99/92/02/355999202.db2.gz GRCUKKAAESGXKI-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCOCC[N@H+](CC)[C@H](C)c1noc(C)n1 ZINC000351487453 355999886 /nfs/dbraw/zinc/99/98/86/355999886.db2.gz AXKSJPYQGZOXMD-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO CCOCC[N@@H+](CC)[C@H](C)c1noc(C)n1 ZINC000351487453 355999888 /nfs/dbraw/zinc/99/98/88/355999888.db2.gz AXKSJPYQGZOXMD-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cc1noc(CCOC)n1 ZINC000351491352 356000191 /nfs/dbraw/zinc/00/01/91/356000191.db2.gz JPJJFIVTYUFYRM-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cc1noc(CCOC)n1 ZINC000351491352 356000196 /nfs/dbraw/zinc/00/01/96/356000196.db2.gz JPJJFIVTYUFYRM-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO COCCc1nc(C[N@H+](C)CC2CCC2)no1 ZINC000351493235 356001955 /nfs/dbraw/zinc/00/19/55/356001955.db2.gz UPWQOIHTCJMGOZ-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO COCCc1nc(C[N@@H+](C)CC2CCC2)no1 ZINC000351493235 356001957 /nfs/dbraw/zinc/00/19/57/356001957.db2.gz UPWQOIHTCJMGOZ-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147124 355954307 /nfs/dbraw/zinc/95/43/07/355954307.db2.gz QQMPVWSHQOFKGB-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147124 355954314 /nfs/dbraw/zinc/95/43/14/355954314.db2.gz QQMPVWSHQOFKGB-NWDGAFQWSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000351151349 355955088 /nfs/dbraw/zinc/95/50/88/355955088.db2.gz XIXAPVHCMABWBX-PWSUYJOCSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000351151349 355955089 /nfs/dbraw/zinc/95/50/89/355955089.db2.gz XIXAPVHCMABWBX-PWSUYJOCSA-N 1 2 240.347 1.010 20 0 BDADLO Cn1cc(C[NH+]2CCC(C)(F)CC2)nn1 ZINC000639388707 356007731 /nfs/dbraw/zinc/00/77/31/356007731.db2.gz KYTCCRYBOIEWPI-UHFFFAOYSA-N 1 2 212.272 1.139 20 0 BDADLO CCc1cc(N[C@H](C)CCCO)nc[nH+]1 ZINC000087360638 491086501 /nfs/dbraw/zinc/08/65/01/491086501.db2.gz MHWCWGNNAOSAAV-SECBINFHSA-N 1 2 209.293 1.612 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](CO)c2ccccc2)c[nH+]1 ZINC000351647154 356044154 /nfs/dbraw/zinc/04/41/54/356044154.db2.gz HHLSPGRIGXBNGC-LBPRGKRZSA-N 1 2 245.282 1.182 20 0 BDADLO CC(C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623258078 356052837 /nfs/dbraw/zinc/05/28/37/356052837.db2.gz HEKOUYZGHIXAML-JTQLQIEISA-N 1 2 233.315 1.360 20 0 BDADLO NC(=O)CCNc1ccc2ccccc2[nH+]1 ZINC000036747519 181226862 /nfs/dbraw/zinc/22/68/62/181226862.db2.gz CADHPUXFRVXKDU-UHFFFAOYSA-N 1 2 215.256 1.522 20 0 BDADLO Cc1nc(N2CCCC3(CC3)C2)nc(N(C)C)[nH+]1 ZINC000351546389 356014077 /nfs/dbraw/zinc/01/40/77/356014077.db2.gz XBPYCLQTTNACTR-UHFFFAOYSA-N 1 2 247.346 1.626 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC3(CC3)C2)[nH+]1 ZINC000351546389 356014082 /nfs/dbraw/zinc/01/40/82/356014082.db2.gz XBPYCLQTTNACTR-UHFFFAOYSA-N 1 2 247.346 1.626 20 0 BDADLO CCCC[N@H+](CCCO)[C@H](C)c1noc(C)n1 ZINC000351593379 356025637 /nfs/dbraw/zinc/02/56/37/356025637.db2.gz NCEITUIYGMFKAO-SNVBAGLBSA-N 1 2 241.335 1.924 20 0 BDADLO CCCC[N@@H+](CCCO)[C@H](C)c1noc(C)n1 ZINC000351593379 356025638 /nfs/dbraw/zinc/02/56/38/356025638.db2.gz NCEITUIYGMFKAO-SNVBAGLBSA-N 1 2 241.335 1.924 20 0 BDADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)(F)F ZINC000623257524 356026017 /nfs/dbraw/zinc/02/60/17/356026017.db2.gz MZDKZDOROVOIFC-HTQZYQBOSA-N 1 2 243.257 1.215 20 0 BDADLO CC1(C)C[NH+](Cc2cn(C3CCC3)nn2)C1 ZINC000639393129 356065460 /nfs/dbraw/zinc/06/54/60/356065460.db2.gz FZGDJRYGDKATPA-UHFFFAOYSA-N 1 2 220.320 1.845 20 0 BDADLO CCOCCO[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000351711409 356066821 /nfs/dbraw/zinc/06/68/21/356066821.db2.gz ZPSFDOZKZUNFFG-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO CCOCCO[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000351711409 356066826 /nfs/dbraw/zinc/06/68/26/356066826.db2.gz ZPSFDOZKZUNFFG-GFCCVEGCSA-N 1 2 240.303 1.302 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@](C)(O)C2)no1 ZINC000351718288 356069663 /nfs/dbraw/zinc/06/96/63/356069663.db2.gz QFJCGHRKZZYCKE-GZMMTYOYSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@](C)(O)C2)no1 ZINC000351718288 356069665 /nfs/dbraw/zinc/06/96/65/356069665.db2.gz QFJCGHRKZZYCKE-GZMMTYOYSA-N 1 2 225.292 1.286 20 0 BDADLO NC(=O)C[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000339533819 181245321 /nfs/dbraw/zinc/24/53/21/181245321.db2.gz MJPGRODDIAMHAP-NSHDSACASA-N 1 2 244.298 1.116 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351787022 356085877 /nfs/dbraw/zinc/08/58/77/356085877.db2.gz YMQJNLWRHGERTQ-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351787022 356085879 /nfs/dbraw/zinc/08/58/79/356085879.db2.gz YMQJNLWRHGERTQ-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCC[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259141 356087064 /nfs/dbraw/zinc/08/70/64/356087064.db2.gz SBGSZSKMXOKNDL-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000336092417 134078894 /nfs/dbraw/zinc/07/88/94/134078894.db2.gz VELUEHKYZXTFQU-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC(C)(C)C ZINC000336092417 134078895 /nfs/dbraw/zinc/07/88/95/134078895.db2.gz VELUEHKYZXTFQU-JTQLQIEISA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cncs1 ZINC000336085891 134076739 /nfs/dbraw/zinc/07/67/39/134076739.db2.gz NFUCGILMITUMIG-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cncs1 ZINC000336085891 134076740 /nfs/dbraw/zinc/07/67/40/134076740.db2.gz NFUCGILMITUMIG-VHSXEESVSA-N 1 2 225.361 1.668 20 0 BDADLO C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261399 356150724 /nfs/dbraw/zinc/15/07/24/356150724.db2.gz PLBGCJXDJSVQJI-WDEREUQCSA-N 1 2 249.358 1.996 20 0 BDADLO CC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000639445630 356225967 /nfs/dbraw/zinc/22/59/67/356225967.db2.gz LQYDOKKZZBHRTI-UHFFFAOYSA-N 1 2 238.356 1.455 20 0 BDADLO OC1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000639445724 356226798 /nfs/dbraw/zinc/22/67/98/356226798.db2.gz MOZVCDZLHACAQJ-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000623264694 356236097 /nfs/dbraw/zinc/23/60/97/356236097.db2.gz QPYNNQBXTOOMGA-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@H]1CCN(CC[NH+]2CCOCC2)CC1(F)F ZINC000336103032 134083776 /nfs/dbraw/zinc/08/37/76/134083776.db2.gz TYMOXCYWTGQVJL-NSHDSACASA-N 1 2 248.317 1.296 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)o1 ZINC000623264868 356230328 /nfs/dbraw/zinc/23/03/28/356230328.db2.gz VZMXMHBPOIDGQC-SNVBAGLBSA-N 1 2 245.282 1.448 20 0 BDADLO CCC[N@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639451163 356236562 /nfs/dbraw/zinc/23/65/62/356236562.db2.gz CSLHRAWQTXYTMS-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CCC[N@@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639451163 356236563 /nfs/dbraw/zinc/23/65/63/356236563.db2.gz CSLHRAWQTXYTMS-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[S@@]1=O ZINC000351913725 356197496 /nfs/dbraw/zinc/19/74/96/356197496.db2.gz VFOCREKFOQRZKV-ZETOZRRWSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[S@@]1=O ZINC000351913725 356197499 /nfs/dbraw/zinc/19/74/99/356197499.db2.gz VFOCREKFOQRZKV-ZETOZRRWSA-N 1 2 231.361 1.008 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)oc1C ZINC000623263149 356198390 /nfs/dbraw/zinc/19/83/90/356198390.db2.gz DJVJSCHGFVSNOQ-SNVBAGLBSA-N 1 2 245.282 1.448 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@@H](CC)C2)[nH]1 ZINC000331663834 356202609 /nfs/dbraw/zinc/20/26/09/356202609.db2.gz QQGRDMDAPYUHJJ-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@@H](CC)C2)[nH]1 ZINC000331663834 356202614 /nfs/dbraw/zinc/20/26/14/356202614.db2.gz QQGRDMDAPYUHJJ-JTQLQIEISA-N 1 2 238.335 1.368 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000617641649 356253987 /nfs/dbraw/zinc/25/39/87/356253987.db2.gz RCRWDCRHJFFHBH-VXGBXAGGSA-N 1 2 249.358 1.998 20 0 BDADLO CC1(C)CC[N@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000333138798 356263593 /nfs/dbraw/zinc/26/35/93/356263593.db2.gz JYVZNGBFECHSJS-UHFFFAOYSA-N 1 2 242.348 1.228 20 0 BDADLO CC1(C)CC[N@@H+](Cc2n[nH]c(=O)[nH]2)CCS1 ZINC000333138798 356263596 /nfs/dbraw/zinc/26/35/96/356263596.db2.gz JYVZNGBFECHSJS-UHFFFAOYSA-N 1 2 242.348 1.228 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000617638184 356240414 /nfs/dbraw/zinc/24/04/14/356240414.db2.gz ILTRFOAHRKFSRS-VXGBXAGGSA-N 1 2 249.358 1.998 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000617638182 356240587 /nfs/dbraw/zinc/24/05/87/356240587.db2.gz ILTRFOAHRKFSRS-NWDGAFQWSA-N 1 2 249.358 1.998 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000617638542 356242065 /nfs/dbraw/zinc/24/20/65/356242065.db2.gz PQVGYNBUINZPPI-NEPJUHHUSA-N 1 2 249.358 1.998 20 0 BDADLO COCC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639458377 356243839 /nfs/dbraw/zinc/24/38/39/356243839.db2.gz YAJNDBWALJINCZ-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639458377 356243843 /nfs/dbraw/zinc/24/38/43/356243843.db2.gz YAJNDBWALJINCZ-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)(C)C ZINC000623265451 356297616 /nfs/dbraw/zinc/29/76/16/356297616.db2.gz GLFDDTQSCAWWPG-VHSXEESVSA-N 1 2 235.331 1.606 20 0 BDADLO C[N@H+](Cc1nc(CC2CC2)no1)[C@@H]1CCOC1 ZINC000639483235 356297914 /nfs/dbraw/zinc/29/79/14/356297914.db2.gz QKWIQUNDIXQGHC-SNVBAGLBSA-N 1 2 237.303 1.243 20 0 BDADLO C[N@@H+](Cc1nc(CC2CC2)no1)[C@@H]1CCOC1 ZINC000639483235 356297916 /nfs/dbraw/zinc/29/79/16/356297916.db2.gz QKWIQUNDIXQGHC-SNVBAGLBSA-N 1 2 237.303 1.243 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C2(C)CC2)[C@@H](C)CO1 ZINC000617731259 356303299 /nfs/dbraw/zinc/30/32/99/356303299.db2.gz XMDSUWOIOKFOSG-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C)CC2)[C@@H](C)CO1 ZINC000617731259 356303303 /nfs/dbraw/zinc/30/33/03/356303303.db2.gz XMDSUWOIOKFOSG-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000623266314 356304726 /nfs/dbraw/zinc/30/47/26/356304726.db2.gz YAIWJUDWYQVXJZ-VHSXEESVSA-N 1 2 245.282 1.321 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639493913 356317287 /nfs/dbraw/zinc/31/72/87/356317287.db2.gz BCXQILMVTLQJKC-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639493913 356317290 /nfs/dbraw/zinc/31/72/90/356317290.db2.gz BCXQILMVTLQJKC-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO COc1ccc(C[N@H+](C)CC(C)=O)cc1O ZINC000639514931 356355480 /nfs/dbraw/zinc/35/54/80/356355480.db2.gz VDKLTVZFJJLYJJ-UHFFFAOYSA-N 1 2 223.272 1.422 20 0 BDADLO COc1ccc(C[N@@H+](C)CC(C)=O)cc1O ZINC000639514931 356355483 /nfs/dbraw/zinc/35/54/83/356355483.db2.gz VDKLTVZFJJLYJJ-UHFFFAOYSA-N 1 2 223.272 1.422 20 0 BDADLO NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000263772082 181269481 /nfs/dbraw/zinc/26/94/81/181269481.db2.gz NJIHIWAVKRQEHK-SECBINFHSA-N 1 2 244.298 1.265 20 0 BDADLO CC(F)(F)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623273076 356397304 /nfs/dbraw/zinc/39/73/04/356397304.db2.gz IGITTWJDXSFOPD-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO Cc1ncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)s1 ZINC000623269610 356370332 /nfs/dbraw/zinc/37/03/32/356370332.db2.gz OXXBHHLUALBRAU-QMMMGPOBSA-N 1 2 248.311 1.003 20 0 BDADLO CC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000639550324 356422008 /nfs/dbraw/zinc/42/20/08/356422008.db2.gz ZMHNNQBZSGGUOL-UHFFFAOYSA-N 1 2 204.273 1.635 20 0 BDADLO CC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000639550324 356422011 /nfs/dbraw/zinc/42/20/11/356422011.db2.gz ZMHNNQBZSGGUOL-UHFFFAOYSA-N 1 2 204.273 1.635 20 0 BDADLO CCOC(=O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609622982 356404246 /nfs/dbraw/zinc/40/42/46/356404246.db2.gz AMPYXUPGEJHJJA-UHFFFAOYSA-N 1 2 247.254 1.226 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)C(=O)NC(C)C)cs1 ZINC000041010985 358504760 /nfs/dbraw/zinc/50/47/60/358504760.db2.gz FDZNYWXYIMOVDL-QMMMGPOBSA-N 1 2 241.360 1.454 20 0 BDADLO CCC(CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623274322 356409198 /nfs/dbraw/zinc/40/91/98/356409198.db2.gz JVFVQPOJJBTDOM-JTQLQIEISA-N 1 2 221.304 1.360 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc(-c3ccoc3)no2)C1 ZINC000420491685 192245119 /nfs/dbraw/zinc/24/51/19/192245119.db2.gz HCRRFNHGHDYFEI-JTQLQIEISA-N 1 2 249.270 1.723 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc(-c3ccoc3)no2)C1 ZINC000420491685 192245122 /nfs/dbraw/zinc/24/51/22/192245122.db2.gz HCRRFNHGHDYFEI-JTQLQIEISA-N 1 2 249.270 1.723 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000379372807 356448543 /nfs/dbraw/zinc/44/85/43/356448543.db2.gz VZCARBHSKPUGAP-BWZBUEFSSA-N 1 2 203.307 1.032 20 0 BDADLO Cc1cc(NC(=O)N2CC(C)C2)cc[nH+]1 ZINC000336162328 134111536 /nfs/dbraw/zinc/11/15/36/134111536.db2.gz UVHSNIOWDMPMIS-UHFFFAOYSA-N 1 2 205.261 1.296 20 0 BDADLO C[C@@H]1CC[C@@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000420634363 192252725 /nfs/dbraw/zinc/25/27/25/192252725.db2.gz LDSPDBRWKDEILI-MWLCHTKSSA-N 1 2 233.315 1.704 20 0 BDADLO CC(C)c1nc(N2C[C@@H](O)CC[C@@H]2C)cc[nH+]1 ZINC000420636204 192253025 /nfs/dbraw/zinc/25/30/25/192253025.db2.gz MNJDJYDRHYQOSZ-QWRGUYRKSA-N 1 2 235.331 1.950 20 0 BDADLO Cc1ccccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623282380 356467532 /nfs/dbraw/zinc/46/75/32/356467532.db2.gz VSXIHMNPUPZRIR-LLVKDONJSA-N 1 2 241.294 1.546 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000276377654 181279680 /nfs/dbraw/zinc/27/96/80/181279680.db2.gz PXAGEGIELMAUFH-LLVKDONJSA-N 1 2 237.278 1.061 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC000276377654 181279681 /nfs/dbraw/zinc/27/96/81/181279681.db2.gz PXAGEGIELMAUFH-LLVKDONJSA-N 1 2 237.278 1.061 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336165555 134113108 /nfs/dbraw/zinc/11/31/08/134113108.db2.gz FZWFKDJHZCSNRD-PWSUYJOCSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1cc(CNc2cnccn2)cc(C)[nH+]1 ZINC000420657511 192255885 /nfs/dbraw/zinc/25/58/85/192255885.db2.gz WOWVBZVJLZBHBC-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336166382 134113430 /nfs/dbraw/zinc/11/34/30/134113430.db2.gz BKJVNALXTPURSX-UWVGGRQHSA-N 1 2 233.315 1.360 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000352230036 134110349 /nfs/dbraw/zinc/11/03/49/134110349.db2.gz HHSWMZWBMBZPPA-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352230036 134110350 /nfs/dbraw/zinc/11/03/50/134110350.db2.gz HHSWMZWBMBZPPA-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCO[C@H]2C)no1 ZINC000639570169 356495467 /nfs/dbraw/zinc/49/54/67/356495467.db2.gz LLRHVZGQBCWQCV-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCO[C@H]2C)no1 ZINC000639570169 356495469 /nfs/dbraw/zinc/49/54/69/356495469.db2.gz LLRHVZGQBCWQCV-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO CC[C@@H](C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000420822103 192263523 /nfs/dbraw/zinc/26/35/23/192263523.db2.gz NWDKPRRFVXOTIZ-GHMZBOCLSA-N 1 2 238.335 1.617 20 0 BDADLO CC(=O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000639584710 356507244 /nfs/dbraw/zinc/50/72/44/356507244.db2.gz ZMLNNLVTYZFGIW-OAHLLOKOSA-N 1 2 247.338 1.909 20 0 BDADLO CC(=O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000639584710 356507246 /nfs/dbraw/zinc/50/72/46/356507246.db2.gz ZMLNNLVTYZFGIW-OAHLLOKOSA-N 1 2 247.338 1.909 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H](CC)O1 ZINC000420954892 192277475 /nfs/dbraw/zinc/27/74/75/192277475.db2.gz KNXRXUUCKLXCAI-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H](CC)O1 ZINC000420954892 192277477 /nfs/dbraw/zinc/27/74/77/192277477.db2.gz KNXRXUUCKLXCAI-BETUJISGSA-N 1 2 237.347 1.810 20 0 BDADLO CCCNC(=O)C[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000420955148 192277869 /nfs/dbraw/zinc/27/78/69/192277869.db2.gz VWLWSHNPCVDYLM-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H]1C[NH+](CC(=O)N2CCC2)C[C@H](CC)O1 ZINC000420959669 192281124 /nfs/dbraw/zinc/28/11/24/192281124.db2.gz QMCIWTRIUWDKAT-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CCC(F)(F)C[N@H+](C)C1(CO)CCOCC1 ZINC000639609938 356528248 /nfs/dbraw/zinc/52/82/48/356528248.db2.gz XVULUEITFVCPDH-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@@H+](C)C1(CO)CCOCC1 ZINC000639609938 356528253 /nfs/dbraw/zinc/52/82/53/356528253.db2.gz XVULUEITFVCPDH-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1nn(C)cc1Cl ZINC000420967320 192285682 /nfs/dbraw/zinc/28/56/82/192285682.db2.gz UBBJZQHJJDSFHX-SECBINFHSA-N 1 2 245.754 1.666 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1nn(C)cc1Cl ZINC000420967320 192285683 /nfs/dbraw/zinc/28/56/83/192285683.db2.gz UBBJZQHJJDSFHX-SECBINFHSA-N 1 2 245.754 1.666 20 0 BDADLO CSCC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420943540 192288577 /nfs/dbraw/zinc/28/85/77/192288577.db2.gz XASQGWDACOPAAW-UHFFFAOYSA-N 1 2 233.768 1.868 20 0 BDADLO CSCC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420943540 192288578 /nfs/dbraw/zinc/28/85/78/192288578.db2.gz XASQGWDACOPAAW-UHFFFAOYSA-N 1 2 233.768 1.868 20 0 BDADLO CC[N@H+](Cc1nn(C)cc1Cl)[C@H](C)CO ZINC000420978189 192290566 /nfs/dbraw/zinc/29/05/66/192290566.db2.gz SVPLTCQASHZBMC-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CC[N@@H+](Cc1nn(C)cc1Cl)[C@H](C)CO ZINC000420978189 192290569 /nfs/dbraw/zinc/29/05/69/192290569.db2.gz SVPLTCQASHZBMC-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000639620328 356539729 /nfs/dbraw/zinc/53/97/29/356539729.db2.gz LJRHUYYPKMYART-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000639620328 356539735 /nfs/dbraw/zinc/53/97/35/356539735.db2.gz LJRHUYYPKMYART-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO C[NH+](C)Cc1nc(C2CCOCC2)no1 ZINC000350537904 366293098 /nfs/dbraw/zinc/29/30/98/366293098.db2.gz MTUUZYRNKHYAQV-UHFFFAOYSA-N 1 2 211.265 1.025 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CC2(CC2)C1 ZINC000623296819 356547428 /nfs/dbraw/zinc/54/74/28/356547428.db2.gz QRTAWHPTISZBLG-NSHDSACASA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C12CC(C1)C2 ZINC000623297132 356547829 /nfs/dbraw/zinc/54/78/29/356547829.db2.gz YLZPAUCADMUMKM-QUNCOHTASA-N 1 2 231.299 1.114 20 0 BDADLO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccsc1 ZINC000449784528 202034190 /nfs/dbraw/zinc/03/41/90/202034190.db2.gz BCIVGFUAYZLPNO-LLVKDONJSA-N 1 2 240.372 1.247 20 0 BDADLO C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccsc1 ZINC000449784528 202034192 /nfs/dbraw/zinc/03/41/92/202034192.db2.gz BCIVGFUAYZLPNO-LLVKDONJSA-N 1 2 240.372 1.247 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C12CC(C1)C2 ZINC000623297133 356547866 /nfs/dbraw/zinc/54/78/66/356547866.db2.gz YLZPAUCADMUMKM-RUETXSTFSA-N 1 2 231.299 1.114 20 0 BDADLO CCc1nc(C[NH2+][C@@H](CC)C(=O)NC)cs1 ZINC000449783096 202034699 /nfs/dbraw/zinc/03/46/99/202034699.db2.gz ZNKMQNJRKSKCRX-VIFPVBQESA-N 1 2 241.360 1.320 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000639641106 356548904 /nfs/dbraw/zinc/54/89/04/356548904.db2.gz HLZODIZVJFENFX-IUCAKERBSA-N 1 2 239.237 1.068 20 0 BDADLO CC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000639641106 356548908 /nfs/dbraw/zinc/54/89/08/356548908.db2.gz HLZODIZVJFENFX-IUCAKERBSA-N 1 2 239.237 1.068 20 0 BDADLO Fc1ccc(C[N@@H+]2CC[C@@]23CCOC3)nc1 ZINC000421014808 192302815 /nfs/dbraw/zinc/30/28/15/192302815.db2.gz HUQFDKOPDIXRGK-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1ccc(C[N@H+]2CC[C@@]23CCOC3)nc1 ZINC000421014808 192302818 /nfs/dbraw/zinc/30/28/18/192302818.db2.gz HUQFDKOPDIXRGK-LBPRGKRZSA-N 1 2 222.263 1.586 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)nn1 ZINC000449774834 202031478 /nfs/dbraw/zinc/03/14/78/202031478.db2.gz MFPBYLDTUKNHHT-JQWIXIFHSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)nn1 ZINC000449774834 202031481 /nfs/dbraw/zinc/03/14/81/202031481.db2.gz MFPBYLDTUKNHHT-JQWIXIFHSA-N 1 2 238.335 1.062 20 0 BDADLO CC[C@@H](O)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000421110628 192312274 /nfs/dbraw/zinc/31/22/74/192312274.db2.gz OPFRXQYIXWGNBW-SNVBAGLBSA-N 1 2 237.303 1.591 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC12CC2 ZINC000623298402 356554387 /nfs/dbraw/zinc/55/43/87/356554387.db2.gz AJUKQQMKBVXDLV-GXSJLCMTSA-N 1 2 231.299 1.114 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)nn1 ZINC000421021919 192306558 /nfs/dbraw/zinc/30/65/58/192306558.db2.gz OSIRQKNTWRAFFQ-PWSUYJOCSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)nn1 ZINC000421021919 192306559 /nfs/dbraw/zinc/30/65/59/192306559.db2.gz OSIRQKNTWRAFFQ-PWSUYJOCSA-N 1 2 238.335 1.204 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639644114 356557647 /nfs/dbraw/zinc/55/76/47/356557647.db2.gz MDDQNYMUKIXDDU-SECBINFHSA-N 1 2 239.319 1.489 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639644114 356557652 /nfs/dbraw/zinc/55/76/52/356557652.db2.gz MDDQNYMUKIXDDU-SECBINFHSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@]23CCOC3)n1 ZINC000421024406 192306932 /nfs/dbraw/zinc/30/69/32/192306932.db2.gz SBXBQMKHWVQRRI-CYBMUJFWSA-N 1 2 249.314 1.109 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@]23CCOC3)n1 ZINC000421024406 192306934 /nfs/dbraw/zinc/30/69/34/192306934.db2.gz SBXBQMKHWVQRRI-CYBMUJFWSA-N 1 2 249.314 1.109 20 0 BDADLO CCc1cccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000449854186 202046115 /nfs/dbraw/zinc/04/61/15/202046115.db2.gz IHPNRPNMNRNCLP-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CC[C@@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000421082204 192311976 /nfs/dbraw/zinc/31/19/76/192311976.db2.gz IBAPSWBHJXLCFE-SECBINFHSA-N 1 2 221.304 1.980 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2F)[C@@H](C)CO1 ZINC000336211670 134134493 /nfs/dbraw/zinc/13/44/93/134134493.db2.gz FDSQAWCWQJSQOG-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2F)[C@@H](C)CO1 ZINC000336211670 134134494 /nfs/dbraw/zinc/13/44/94/134134494.db2.gz FDSQAWCWQJSQOG-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccncc2F)[C@H](C)CO1 ZINC000336211668 134134571 /nfs/dbraw/zinc/13/45/71/134134571.db2.gz FDSQAWCWQJSQOG-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO CCNC(=O)C(C)(C)[NH2+]CC(F)(F)CC ZINC000639667552 356574461 /nfs/dbraw/zinc/57/44/61/356574461.db2.gz ASUJVKVLCZOQLJ-UHFFFAOYSA-N 1 2 222.279 1.536 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000449957542 202059795 /nfs/dbraw/zinc/05/97/95/202059795.db2.gz CWZNVRCGHBTYON-QJPTWQEYSA-N 1 2 235.331 1.682 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1C ZINC000642352142 363513232 /nfs/dbraw/zinc/51/32/32/363513232.db2.gz PBMSCTJXNWIGBD-AEJSXWLSSA-N 1 2 207.277 1.044 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1=CCCC1 ZINC000623307991 356614854 /nfs/dbraw/zinc/61/48/54/356614854.db2.gz SFUSRUIFSFIGBH-LLVKDONJSA-N 1 2 231.299 1.424 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304802 356598708 /nfs/dbraw/zinc/59/87/08/356598708.db2.gz FNMQWPPZDCKBIW-QJPTWQEYSA-N 1 2 249.358 1.996 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000623307092 356605721 /nfs/dbraw/zinc/60/57/21/356605721.db2.gz ZPJRESWSMMRQRQ-XEZLXBQYSA-N 1 2 245.326 1.360 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000630094602 363539119 /nfs/dbraw/zinc/53/91/19/363539119.db2.gz JIEWPJNUSGTVAZ-WDEREUQCSA-N 1 2 234.299 1.289 20 0 BDADLO C[C@H](c1ccccc1)[C@@H](O)CN1CC[NH+](C)CC1 ZINC000450243036 202107632 /nfs/dbraw/zinc/10/76/32/202107632.db2.gz QYDFMTGZVASDPL-HIFRSBDPSA-N 1 2 248.370 1.398 20 0 BDADLO CCC[C@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000450255085 202108309 /nfs/dbraw/zinc/10/83/09/202108309.db2.gz XWLDQVAJUCZSLU-VIFPVBQESA-N 1 2 247.289 1.871 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000450255085 202108313 /nfs/dbraw/zinc/10/83/13/202108313.db2.gz XWLDQVAJUCZSLU-VIFPVBQESA-N 1 2 247.289 1.871 20 0 BDADLO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1csnn1 ZINC000450263623 202114685 /nfs/dbraw/zinc/11/46/85/202114685.db2.gz CTMRXLPPMFIJFV-HTQZYQBOSA-N 1 2 243.332 1.340 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1csnn1 ZINC000450263623 202114688 /nfs/dbraw/zinc/11/46/88/202114688.db2.gz CTMRXLPPMFIJFV-HTQZYQBOSA-N 1 2 243.332 1.340 20 0 BDADLO CCCC[NH+]1CCC(N=c2[nH]ncs2)CC1 ZINC000450281415 202118624 /nfs/dbraw/zinc/11/86/24/202118624.db2.gz BZJRYEZRMSCMSV-UHFFFAOYSA-N 1 2 240.376 1.636 20 0 BDADLO CCC[N@H+](C)Cc1nc(C2(OC)CCC2)no1 ZINC000350658448 366317281 /nfs/dbraw/zinc/31/72/81/366317281.db2.gz MKGHKYCQDGWVPJ-UHFFFAOYSA-N 1 2 239.319 1.937 20 0 BDADLO CCC[N@@H+](C)Cc1nc(C2(OC)CCC2)no1 ZINC000350658448 366317289 /nfs/dbraw/zinc/31/72/89/366317289.db2.gz MKGHKYCQDGWVPJ-UHFFFAOYSA-N 1 2 239.319 1.937 20 0 BDADLO c1nnc2n1CC[N@@H+](CC13CCC(CC1)C3)C2 ZINC000450374383 202145937 /nfs/dbraw/zinc/14/59/37/202145937.db2.gz FCINJJGPWCCKAH-UHFFFAOYSA-N 1 2 232.331 1.674 20 0 BDADLO c1nnc2n1CC[N@H+](CC13CCC(CC1)C3)C2 ZINC000450374383 202145940 /nfs/dbraw/zinc/14/59/40/202145940.db2.gz FCINJJGPWCCKAH-UHFFFAOYSA-N 1 2 232.331 1.674 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(C)C ZINC000040473561 356692563 /nfs/dbraw/zinc/69/25/63/356692563.db2.gz XNNCTPOPXGXKOV-GHMZBOCLSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(C)C ZINC000040473561 356692568 /nfs/dbraw/zinc/69/25/68/356692568.db2.gz XNNCTPOPXGXKOV-GHMZBOCLSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@H]([NH2+]Cc1ccnn1C)C(C)(F)F ZINC000389470539 356684013 /nfs/dbraw/zinc/68/40/13/356684013.db2.gz QGZHEDZZCZPONU-ZETCQYMHSA-N 1 2 203.236 1.553 20 0 BDADLO CC(C)N(C(=O)C[N@@H+]1CCO[C@@H](C)C1)C(C)C ZINC000054104260 363560362 /nfs/dbraw/zinc/56/03/62/363560362.db2.gz NZVKRUGJRGPRSU-LBPRGKRZSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C(=O)C[N@H+]1CCO[C@@H](C)C1)C(C)C ZINC000054104260 363560367 /nfs/dbraw/zinc/56/03/67/363560367.db2.gz NZVKRUGJRGPRSU-LBPRGKRZSA-N 1 2 242.363 1.353 20 0 BDADLO CCC[C@](C)([NH2+]CCC[C@@H](C)O)C(=O)OC ZINC000450421201 202159585 /nfs/dbraw/zinc/15/95/85/202159585.db2.gz SJLVZGVUKZGICM-PWSUYJOCSA-N 1 2 231.336 1.469 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000450423639 202160535 /nfs/dbraw/zinc/16/05/35/202160535.db2.gz OVJIQIDYLHAYED-UVWXRNBGSA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000450423639 202160539 /nfs/dbraw/zinc/16/05/39/202160539.db2.gz OVJIQIDYLHAYED-UVWXRNBGSA-N 1 2 245.388 1.587 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)o1 ZINC000639776538 356718729 /nfs/dbraw/zinc/71/87/29/356718729.db2.gz BYXMIWGNUKUIJB-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)o1 ZINC000639776538 356718730 /nfs/dbraw/zinc/71/87/30/356718730.db2.gz BYXMIWGNUKUIJB-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000450429492 202164318 /nfs/dbraw/zinc/16/43/18/202164318.db2.gz LLKNFSIGGBZHIX-ZUZCIYMTSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000450429492 202164322 /nfs/dbraw/zinc/16/43/22/202164322.db2.gz LLKNFSIGGBZHIX-ZUZCIYMTSA-N 1 2 231.361 1.199 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1cc(F)ccc1F ZINC000088572229 356743923 /nfs/dbraw/zinc/74/39/23/356743923.db2.gz IHVLJYNHXLKWAN-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000639798529 356759477 /nfs/dbraw/zinc/75/94/77/356759477.db2.gz HJGJVPJWADQZKV-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000639798529 356759480 /nfs/dbraw/zinc/75/94/80/356759480.db2.gz HJGJVPJWADQZKV-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000639812954 356791435 /nfs/dbraw/zinc/79/14/35/356791435.db2.gz DFPYVLOKWKIRMI-UWVGGRQHSA-N 1 2 246.301 1.632 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000639812954 356791437 /nfs/dbraw/zinc/79/14/37/356791437.db2.gz DFPYVLOKWKIRMI-UWVGGRQHSA-N 1 2 246.301 1.632 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357313921 356824917 /nfs/dbraw/zinc/82/49/17/356824917.db2.gz JFUODOJEXYFGGR-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357313921 356824922 /nfs/dbraw/zinc/82/49/22/356824922.db2.gz JFUODOJEXYFGGR-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CO[C@H]1CN(Cc2[nH+]ccn2C(C)C)CCO1 ZINC000639835007 356824948 /nfs/dbraw/zinc/82/49/48/356824948.db2.gz AMPJANJLIJEPHC-GFCCVEGCSA-N 1 2 239.319 1.269 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1cccnc1C ZINC000359289843 356887377 /nfs/dbraw/zinc/88/73/77/356887377.db2.gz BBAQHJFNEWJKQO-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccnc1C ZINC000359289843 356887382 /nfs/dbraw/zinc/88/73/82/356887382.db2.gz BBAQHJFNEWJKQO-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1occc1C ZINC000359290847 356887400 /nfs/dbraw/zinc/88/74/00/356887400.db2.gz CCUUROWQTOAJGQ-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1occc1C ZINC000359290847 356887405 /nfs/dbraw/zinc/88/74/05/356887405.db2.gz CCUUROWQTOAJGQ-UHFFFAOYSA-N 1 2 234.303 1.739 20 0 BDADLO CC[C@@H](OC)c1nc(Cc2c[nH+]cn2C)no1 ZINC000357953006 356856598 /nfs/dbraw/zinc/85/65/98/356856598.db2.gz SHRGWMJWGGCVAN-SECBINFHSA-N 1 2 236.275 1.491 20 0 BDADLO C[C@@H](NCc1ncnn1C(C)(C)C)c1[nH]cc[nH+]1 ZINC000353589471 538751995 /nfs/dbraw/zinc/75/19/95/538751995.db2.gz GRYCIZWXDAZCIM-SECBINFHSA-N 1 2 248.334 1.607 20 0 BDADLO CC[N@@H+](Cc1ncccn1)C[C@H]1CCCO1 ZINC000361711180 356936427 /nfs/dbraw/zinc/93/64/27/356936427.db2.gz HCCNELAKZGZSCI-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CC[N@H+](Cc1ncccn1)C[C@H]1CCCO1 ZINC000361711180 356936431 /nfs/dbraw/zinc/93/64/31/356936431.db2.gz HCCNELAKZGZSCI-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000359579679 356891590 /nfs/dbraw/zinc/89/15/90/356891590.db2.gz FEISVWOARFBXLP-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CCC[C@H]1C[N@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000359579679 356891592 /nfs/dbraw/zinc/89/15/92/356891592.db2.gz FEISVWOARFBXLP-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2ncc[nH]2)c(=O)[nH]1 ZINC000353672362 538755456 /nfs/dbraw/zinc/75/54/56/538755456.db2.gz QKEMCRKAFOEKPD-ZETCQYMHSA-N 1 2 233.275 1.065 20 0 BDADLO CCC(F)(F)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000626467840 357004375 /nfs/dbraw/zinc/00/43/75/357004375.db2.gz JBRRXXCOZPXHIR-UHFFFAOYSA-N 1 2 243.257 1.979 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626468598 357005339 /nfs/dbraw/zinc/00/53/39/357005339.db2.gz NULIYGDWPLLAIL-PHIMTYICSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@H]1COCCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000399684731 357011231 /nfs/dbraw/zinc/01/12/31/357011231.db2.gz QYQHYJNSFOBHOR-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@H]1COCCC[N@H+]1CC(=O)OC(C)(C)C ZINC000399684731 357011236 /nfs/dbraw/zinc/01/12/36/357011236.db2.gz QYQHYJNSFOBHOR-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000355273665 538790009 /nfs/dbraw/zinc/79/00/09/538790009.db2.gz WTMWVVPPVYNNTK-KOLCDFICSA-N 1 2 239.319 1.097 20 0 BDADLO C[NH+](C)Cc1nc([C@H]2CCCOC2)no1 ZINC000350850252 357072481 /nfs/dbraw/zinc/07/24/81/357072481.db2.gz BDZMAXDNJSDFSI-QMMMGPOBSA-N 1 2 211.265 1.025 20 0 BDADLO CCN1CCC[N@H+](CCC(F)(F)F)CC1=O ZINC000372751553 357091789 /nfs/dbraw/zinc/09/17/89/357091789.db2.gz PXVLXIZGKYXHFA-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO CCN1CCC[N@@H+](CCC(F)(F)F)CC1=O ZINC000372751553 357091792 /nfs/dbraw/zinc/09/17/92/357091792.db2.gz PXVLXIZGKYXHFA-UHFFFAOYSA-N 1 2 238.253 1.493 20 0 BDADLO Cc1ccnc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000582394064 357126634 /nfs/dbraw/zinc/12/66/34/357126634.db2.gz LEBKEJPRPDHILZ-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccccc1 ZINC000137649016 357214219 /nfs/dbraw/zinc/21/42/19/357214219.db2.gz PIVOGELOWYFGEC-UHFFFAOYSA-N 1 2 215.256 1.682 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccccc1 ZINC000137649016 357214226 /nfs/dbraw/zinc/21/42/26/357214226.db2.gz PIVOGELOWYFGEC-UHFFFAOYSA-N 1 2 215.256 1.682 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000639900399 357285484 /nfs/dbraw/zinc/28/54/84/357285484.db2.gz SIUCALZOVAMOMV-JFGNBEQYSA-N 1 2 249.314 1.499 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC2(C1)CCCO2 ZINC000628427718 357259199 /nfs/dbraw/zinc/25/91/99/357259199.db2.gz VLPMZRMOXREMCN-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc([C@H]3C[C@H]3C)no2)C1 ZINC000582716475 357369621 /nfs/dbraw/zinc/36/96/21/357369621.db2.gz ORKYXSFDENWJRU-UTLUCORTSA-N 1 2 237.303 1.586 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc([C@H]3C[C@H]3C)no2)C1 ZINC000582716475 357369626 /nfs/dbraw/zinc/36/96/26/357369626.db2.gz ORKYXSFDENWJRU-UTLUCORTSA-N 1 2 237.303 1.586 20 0 BDADLO C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)C[C@H]1F ZINC000582721614 357371344 /nfs/dbraw/zinc/37/13/44/357371344.db2.gz VBDNWKYSGVJMLE-KOLCDFICSA-N 1 2 223.251 1.015 20 0 BDADLO CCN(CCOC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582730908 357374309 /nfs/dbraw/zinc/37/43/09/357374309.db2.gz OEWIBSBZRHIYTH-NSHDSACASA-N 1 2 239.319 1.329 20 0 BDADLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC1(C)C ZINC000357429837 538828469 /nfs/dbraw/zinc/82/84/69/538828469.db2.gz ZLCQKGXLWGBTPX-JTQLQIEISA-N 1 2 221.304 1.599 20 0 BDADLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC1(C)C ZINC000357429837 538828472 /nfs/dbraw/zinc/82/84/72/538828472.db2.gz ZLCQKGXLWGBTPX-JTQLQIEISA-N 1 2 221.304 1.599 20 0 BDADLO Cc1noc(C(C)(C)NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000582556388 357343868 /nfs/dbraw/zinc/34/38/68/357343868.db2.gz CZIXTQGMQIWUAG-UHFFFAOYSA-N 1 2 249.318 1.743 20 0 BDADLO Cc1cnc(C)nc1NC[C@@H](C)Cn1cc[nH+]c1 ZINC000582735912 357376759 /nfs/dbraw/zinc/37/67/59/357376759.db2.gz PAARKLDGXFLEQB-SNVBAGLBSA-N 1 2 245.330 1.460 20 0 BDADLO C[C@@H](CC(=O)NCCCCCO)n1cc[nH+]c1 ZINC000582610858 357351519 /nfs/dbraw/zinc/35/15/19/357351519.db2.gz BQXWJFJMGASLTK-NSHDSACASA-N 1 2 239.319 1.113 20 0 BDADLO CCC(CC)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000583019149 357450276 /nfs/dbraw/zinc/45/02/76/357450276.db2.gz QEFMJWCRPYQTTA-SECBINFHSA-N 1 2 227.333 1.448 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2nc(C)[nH+]cc2C)C1 ZINC000584381251 357461601 /nfs/dbraw/zinc/46/16/01/357461601.db2.gz OAQRBTYWSPYNFS-NSHDSACASA-N 1 2 248.330 1.516 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396788835 357483183 /nfs/dbraw/zinc/48/31/83/357483183.db2.gz AUCZVZFRGGXALW-JTQLQIEISA-N 1 2 209.293 1.375 20 0 BDADLO CN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000054922560 363584731 /nfs/dbraw/zinc/58/47/31/363584731.db2.gz KYMYEXFCNBVEPI-UHFFFAOYSA-N 1 2 218.260 1.106 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cncnc1 ZINC000361154701 538868447 /nfs/dbraw/zinc/86/84/47/538868447.db2.gz QRUGJUWDZPZVQC-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cncnc1 ZINC000361154701 538868452 /nfs/dbraw/zinc/86/84/52/538868452.db2.gz QRUGJUWDZPZVQC-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccccc1 ZINC000189540128 357643933 /nfs/dbraw/zinc/64/39/33/357643933.db2.gz MJKMHLMUIKUXRV-CHWSQXEVSA-N 1 2 249.310 1.185 20 0 BDADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccccc1 ZINC000189540128 357643937 /nfs/dbraw/zinc/64/39/37/357643937.db2.gz MJKMHLMUIKUXRV-CHWSQXEVSA-N 1 2 249.310 1.185 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCN(CC(F)F)C1CC1 ZINC000189929577 357676699 /nfs/dbraw/zinc/67/66/99/357676699.db2.gz ASAZCFUVHCWVAK-JTQLQIEISA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1COCC[N@H+]1CCN(CC(F)F)C1CC1 ZINC000189929577 357676702 /nfs/dbraw/zinc/67/67/02/357676702.db2.gz ASAZCFUVHCWVAK-JTQLQIEISA-N 1 2 248.317 1.437 20 0 BDADLO CCc1ncc(C[NH2+]CC(C)(F)F)cn1 ZINC000583250744 357718078 /nfs/dbraw/zinc/71/80/78/357718078.db2.gz YBMAWBRJMMUURP-UHFFFAOYSA-N 1 2 215.247 1.784 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000190702367 357725403 /nfs/dbraw/zinc/72/54/03/357725403.db2.gz TVPFNHQVFRGCHC-WOPDTQHZSA-N 1 2 243.347 1.826 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000190702367 357725406 /nfs/dbraw/zinc/72/54/06/357725406.db2.gz TVPFNHQVFRGCHC-WOPDTQHZSA-N 1 2 243.347 1.826 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000233698585 357732513 /nfs/dbraw/zinc/73/25/13/357732513.db2.gz WJYFWASETLLWNK-JFGNBEQYSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CS1 ZINC000397872974 357775713 /nfs/dbraw/zinc/77/57/13/357775713.db2.gz UEVMQIJJLHFDGX-HTQZYQBOSA-N 1 2 249.343 1.669 20 0 BDADLO CCOC[C@@H]([NH2+]CC(=O)OC(C)(C)C)C(C)C ZINC000233725737 357740910 /nfs/dbraw/zinc/74/09/10/357740910.db2.gz LOMRHNFGFPSKMO-LLVKDONJSA-N 1 2 245.363 1.979 20 0 BDADLO CSCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191380136 357767173 /nfs/dbraw/zinc/76/71/73/357767173.db2.gz AIJBKQVCRCRDMC-UHFFFAOYSA-N 1 2 242.392 1.828 20 0 BDADLO CSCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191380136 357767176 /nfs/dbraw/zinc/76/71/76/357767176.db2.gz AIJBKQVCRCRDMC-UHFFFAOYSA-N 1 2 242.392 1.828 20 0 BDADLO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C(=O)OC)[C@@H](C)O)C1 ZINC000191959679 357806345 /nfs/dbraw/zinc/80/63/45/357806345.db2.gz QMGALRKAEOEBKR-KKOKHZNYSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncccn2)CCCO1 ZINC000191986384 357819394 /nfs/dbraw/zinc/81/93/94/357819394.db2.gz ARVIYZUPLKVXDQ-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncccn2)CCCO1 ZINC000191986384 357819396 /nfs/dbraw/zinc/81/93/96/357819396.db2.gz ARVIYZUPLKVXDQ-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO Cn1nnc(C[NH2+]Cc2cccc(C3CC3)c2)n1 ZINC000398044676 357831366 /nfs/dbraw/zinc/83/13/66/357831366.db2.gz SGWRAVJSKAOVNL-UHFFFAOYSA-N 1 2 243.314 1.377 20 0 BDADLO CCC(C)(C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000192224086 357834406 /nfs/dbraw/zinc/83/44/06/357834406.db2.gz FYGXBTARCUZEQA-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926205 357841823 /nfs/dbraw/zinc/84/18/23/357841823.db2.gz USABWNJZBSJXGB-LLVKDONJSA-N 1 2 222.288 1.409 20 0 BDADLO CNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926205 357841825 /nfs/dbraw/zinc/84/18/25/357841825.db2.gz USABWNJZBSJXGB-LLVKDONJSA-N 1 2 222.288 1.409 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000193021609 357865223 /nfs/dbraw/zinc/86/52/23/357865223.db2.gz PWPMRDOVQBWZMW-HBNTYKKESA-N 1 2 231.286 1.758 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000193021609 357865227 /nfs/dbraw/zinc/86/52/27/357865227.db2.gz PWPMRDOVQBWZMW-HBNTYKKESA-N 1 2 231.286 1.758 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](C)C[C@@H](CO)C1 ZINC000398705780 357889439 /nfs/dbraw/zinc/88/94/39/357889439.db2.gz LJBWEKXDNCOSBR-GHMZBOCLSA-N 1 2 236.315 1.545 20 0 BDADLO Nc1cc(C[N@@H+]2CCC(=O)CC23CCC3)ccn1 ZINC000584418760 357916511 /nfs/dbraw/zinc/91/65/11/357916511.db2.gz KSKAWVBJYBNYRU-UHFFFAOYSA-N 1 2 245.326 1.582 20 0 BDADLO Nc1cc(C[N@H+]2CCC(=O)CC23CCC3)ccn1 ZINC000584418760 357916514 /nfs/dbraw/zinc/91/65/14/357916514.db2.gz KSKAWVBJYBNYRU-UHFFFAOYSA-N 1 2 245.326 1.582 20 0 BDADLO CC(C)(NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000584443834 357923521 /nfs/dbraw/zinc/92/35/21/357923521.db2.gz SREZMIFKABYOGG-UHFFFAOYSA-N 1 2 243.310 1.935 20 0 BDADLO CC1(C)CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000073952004 357930974 /nfs/dbraw/zinc/93/09/74/357930974.db2.gz YPHWMHBCIDNKSG-UHFFFAOYSA-N 1 2 235.331 1.968 20 0 BDADLO Oc1cccc(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000628457766 358016467 /nfs/dbraw/zinc/01/64/67/358016467.db2.gz MCAKZDUPLONUDL-ZDUSSCGKSA-N 1 2 239.290 1.953 20 0 BDADLO Oc1cccc(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000628457766 358016473 /nfs/dbraw/zinc/01/64/73/358016473.db2.gz MCAKZDUPLONUDL-ZDUSSCGKSA-N 1 2 239.290 1.953 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640001867 358037306 /nfs/dbraw/zinc/03/73/06/358037306.db2.gz DXGWQYDMCRBZGH-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640001867 358037310 /nfs/dbraw/zinc/03/73/10/358037310.db2.gz DXGWQYDMCRBZGH-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1nc(C[NH+]2CCC(CCF)CC2)no1 ZINC000639987984 358027175 /nfs/dbraw/zinc/02/71/75/358027175.db2.gz UQKVDYHVJPMMGO-UHFFFAOYSA-N 1 2 227.283 1.950 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000584545570 358046624 /nfs/dbraw/zinc/04/66/24/358046624.db2.gz JZVDIJQVFDGLRT-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000584545570 358046626 /nfs/dbraw/zinc/04/66/26/358046626.db2.gz JZVDIJQVFDGLRT-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000170768206 134253765 /nfs/dbraw/zinc/25/37/65/134253765.db2.gz IVWYWLGLMHTOKE-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000170768206 134253766 /nfs/dbraw/zinc/25/37/66/134253766.db2.gz IVWYWLGLMHTOKE-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO c1cc2[nH+]ccc(NCC3=CCOCC3)c2cn1 ZINC000450622127 202213630 /nfs/dbraw/zinc/21/36/30/202213630.db2.gz NRRNCRWFNLNDSV-UHFFFAOYSA-N 1 2 241.294 1.810 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000450623439 202215170 /nfs/dbraw/zinc/21/51/70/202215170.db2.gz PYHDHRLVDZZBIG-FXPVBKGRSA-N 1 2 241.360 1.692 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000450623439 202215174 /nfs/dbraw/zinc/21/51/74/202215174.db2.gz PYHDHRLVDZZBIG-FXPVBKGRSA-N 1 2 241.360 1.692 20 0 BDADLO Cc1nc(N2CC[C@H]2C2CC2)nc(N(C)C)[nH+]1 ZINC000450647234 202224964 /nfs/dbraw/zinc/22/49/64/202224964.db2.gz SLGOVVBQOMOKJC-JTQLQIEISA-N 1 2 233.319 1.235 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@H]2C2CC2)[nH+]1 ZINC000450647234 202224966 /nfs/dbraw/zinc/22/49/66/202224966.db2.gz SLGOVVBQOMOKJC-JTQLQIEISA-N 1 2 233.319 1.235 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000584847826 358200962 /nfs/dbraw/zinc/20/09/62/358200962.db2.gz AKUSMMYWYVRGSE-MDZLAQPJSA-N 1 2 249.358 1.997 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000584847826 358200966 /nfs/dbraw/zinc/20/09/66/358200966.db2.gz AKUSMMYWYVRGSE-MDZLAQPJSA-N 1 2 249.358 1.997 20 0 BDADLO NC(=O)[C@@H]1COCC[N@@H+]1CCC1=CCCCC1 ZINC000450658167 202228034 /nfs/dbraw/zinc/22/80/34/202228034.db2.gz ZUHNQUZGSNGKSJ-LBPRGKRZSA-N 1 2 238.331 1.063 20 0 BDADLO NC(=O)[C@@H]1COCC[N@H+]1CCC1=CCCCC1 ZINC000450658167 202228037 /nfs/dbraw/zinc/22/80/37/202228037.db2.gz ZUHNQUZGSNGKSJ-LBPRGKRZSA-N 1 2 238.331 1.063 20 0 BDADLO CC(C)[C@H](C)N(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000076830160 491125604 /nfs/dbraw/zinc/12/56/04/491125604.db2.gz AEUXGCKEDJNGNH-NSHDSACASA-N 1 2 235.331 1.919 20 0 BDADLO COC1(CSc2nc(N)cc(C)[nH+]2)CCC1 ZINC000450721659 202245068 /nfs/dbraw/zinc/24/50/68/202245068.db2.gz XXFSNQROEGKVGJ-UHFFFAOYSA-N 1 2 239.344 1.859 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CNC(=O)C1 ZINC000225821978 358313656 /nfs/dbraw/zinc/31/36/56/358313656.db2.gz OOIDNWSRFPTAOJ-LLVKDONJSA-N 1 2 241.294 1.844 20 0 BDADLO COC[C@H]1CCCC[N@H+](Cc2cn[nH]n2)C1 ZINC000450765434 202259767 /nfs/dbraw/zinc/25/97/67/202259767.db2.gz WXKYXJBQNOKDSY-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@H]1CCCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000450765434 202259771 /nfs/dbraw/zinc/25/97/71/202259771.db2.gz WXKYXJBQNOKDSY-JTQLQIEISA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@@H]([NH2+][C@H](C(=O)OC)C1CC1)C(C)C ZINC000227770578 358362710 /nfs/dbraw/zinc/36/27/10/358362710.db2.gz CLRSUIWXNNILRZ-MNOVXSKESA-N 1 2 229.320 1.199 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cncnc2)s1 ZINC000230686999 358409103 /nfs/dbraw/zinc/40/91/03/358409103.db2.gz STPJAKPLURNLCS-UHFFFAOYSA-N 1 2 220.301 1.531 20 0 BDADLO CCc1noc([C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000351186219 366445302 /nfs/dbraw/zinc/44/53/02/366445302.db2.gz PQBBLTCBOIBKPI-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc([C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000351186219 366445305 /nfs/dbraw/zinc/44/53/05/366445305.db2.gz PQBBLTCBOIBKPI-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000229390229 358402986 /nfs/dbraw/zinc/40/29/86/358402986.db2.gz LREUGNUXJMTPCG-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000229390229 358402990 /nfs/dbraw/zinc/40/29/90/358402990.db2.gz LREUGNUXJMTPCG-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CCCCc1noc(C[N@H+](CC)CCO)n1 ZINC000047846502 358604665 /nfs/dbraw/zinc/60/46/65/358604665.db2.gz OKBVOBDNRDBRCC-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCCc1noc(C[N@@H+](CC)CCO)n1 ZINC000047846502 358604668 /nfs/dbraw/zinc/60/46/68/358604668.db2.gz OKBVOBDNRDBRCC-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO c1cn(Cc2csc(-c3ncccn3)n2)c[nH+]1 ZINC000048561892 358640931 /nfs/dbraw/zinc/64/09/31/358640931.db2.gz XKEJUVWFIUVKPS-UHFFFAOYSA-N 1 2 243.295 1.845 20 0 BDADLO CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514811 358593209 /nfs/dbraw/zinc/59/32/09/358593209.db2.gz MNTSPOOCRZDNMT-UHFFFAOYSA-N 1 2 201.229 1.831 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000048682720 358646819 /nfs/dbraw/zinc/64/68/19/358646819.db2.gz BLCCVJJDELHRBG-SSDOTTSWSA-N 1 2 233.271 1.845 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc2[nH+]c(C)[nH]c2c1 ZINC000048682720 358646822 /nfs/dbraw/zinc/64/68/22/358646822.db2.gz BLCCVJJDELHRBG-SSDOTTSWSA-N 1 2 233.271 1.845 20 0 BDADLO CC(C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130870586 358651008 /nfs/dbraw/zinc/65/10/08/358651008.db2.gz YJAMUZOXZGLPNR-LBPRGKRZSA-N 1 2 249.358 1.998 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cccnc1 ZINC000049087026 358669724 /nfs/dbraw/zinc/66/97/24/358669724.db2.gz HFRWICQTTHIMPL-UHFFFAOYSA-N 1 2 230.271 1.087 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccccn1 ZINC000049304686 358681838 /nfs/dbraw/zinc/68/18/38/358681838.db2.gz ALMMYWYONAHJKY-UHFFFAOYSA-N 1 2 242.282 1.795 20 0 BDADLO CN(Cc1ccoc1)C(=O)NCCn1cc[nH+]c1 ZINC000049371008 358684680 /nfs/dbraw/zinc/68/46/80/358684680.db2.gz YWHQXDVUOMNEQO-UHFFFAOYSA-N 1 2 248.286 1.318 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(F)cn1 ZINC000049509231 358693437 /nfs/dbraw/zinc/69/34/37/358693437.db2.gz UNQDQMJPQSVRHA-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO Cc1nnc(C[N@@H+]2CCn3cccc3[C@@H]2C)n1C ZINC000051960354 358768629 /nfs/dbraw/zinc/76/86/29/358768629.db2.gz GLTXNWKUALANEA-JTQLQIEISA-N 1 2 245.330 1.502 20 0 BDADLO Cc1nnc(C[N@H+]2CCn3cccc3[C@@H]2C)n1C ZINC000051960354 358768632 /nfs/dbraw/zinc/76/86/32/358768632.db2.gz GLTXNWKUALANEA-JTQLQIEISA-N 1 2 245.330 1.502 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262393912 535436723 /nfs/dbraw/zinc/43/67/23/535436723.db2.gz NDJYPFUJXKFSSW-ZJUUUORDSA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262393912 535436727 /nfs/dbraw/zinc/43/67/27/535436727.db2.gz NDJYPFUJXKFSSW-ZJUUUORDSA-N 1 2 237.303 1.452 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc(CCCO)c1 ZINC000136221803 358868776 /nfs/dbraw/zinc/86/87/76/358868776.db2.gz AVRVUJMRHCEPBF-UHFFFAOYSA-N 1 2 245.326 1.957 20 0 BDADLO Cn1cc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000135504778 358840817 /nfs/dbraw/zinc/84/08/17/358840817.db2.gz NZDMSKDHEBBBEJ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000135504778 358840818 /nfs/dbraw/zinc/84/08/18/358840818.db2.gz NZDMSKDHEBBBEJ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055052399 358880225 /nfs/dbraw/zinc/88/02/25/358880225.db2.gz GBJDDOHXMMHRGM-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055052399 358880229 /nfs/dbraw/zinc/88/02/29/358880229.db2.gz GBJDDOHXMMHRGM-UHFFFAOYSA-N 1 2 238.331 1.936 20 0 BDADLO CC[C@@H](NC(=O)c1ccnn1C)c1[nH]cc[nH+]1 ZINC000140614807 358923986 /nfs/dbraw/zinc/92/39/86/358923986.db2.gz WZKRGTMURIFRDE-MRVPVSSYSA-N 1 2 233.275 1.024 20 0 BDADLO Cc1nc(N(C)C[C@H](C)O)c(C)c(C)[nH+]1 ZINC000177818580 134300490 /nfs/dbraw/zinc/30/04/90/134300490.db2.gz PRFDCVMTPOJTRP-ZETCQYMHSA-N 1 2 209.293 1.219 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000069867924 359035379 /nfs/dbraw/zinc/03/53/79/359035379.db2.gz INRIIUXPICILPG-NSHDSACASA-N 1 2 241.356 1.552 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000069867924 359035385 /nfs/dbraw/zinc/03/53/85/359035385.db2.gz INRIIUXPICILPG-NSHDSACASA-N 1 2 241.356 1.552 20 0 BDADLO CNC(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000074450035 359119692 /nfs/dbraw/zinc/11/96/92/359119692.db2.gz YUHPXNCMQQDEAO-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO CNC(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000074450035 359119694 /nfs/dbraw/zinc/11/96/94/359119694.db2.gz YUHPXNCMQQDEAO-UHFFFAOYSA-N 1 2 238.718 1.444 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccccc1F ZINC000070979123 359067449 /nfs/dbraw/zinc/06/74/49/359067449.db2.gz YODNPSIPJSANSL-UHFFFAOYSA-N 1 2 247.273 1.750 20 0 BDADLO Cc1ccc(OCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070989870 359068832 /nfs/dbraw/zinc/06/88/32/359068832.db2.gz PFHVGVXJOJVDQD-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO Cc1ccc(C)c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990086 359068965 /nfs/dbraw/zinc/06/89/65/359068965.db2.gz WRMOOLCRYWVJGP-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979503 359069054 /nfs/dbraw/zinc/06/90/54/359069054.db2.gz NYCODBNLMIGMNK-UHFFFAOYSA-N 1 2 247.302 1.032 20 0 BDADLO CN(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000071030732 359069979 /nfs/dbraw/zinc/06/99/79/359069979.db2.gz AQGKZFILNNGMBG-UHFFFAOYSA-N 1 2 244.298 1.406 20 0 BDADLO COC(=O)c1ccoc1CN(C)Cc1[nH]cc[nH+]1 ZINC000611191210 359089884 /nfs/dbraw/zinc/08/98/84/359089884.db2.gz KZOZYRXIQVAFHX-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1C=CCC1 ZINC000070650734 359060781 /nfs/dbraw/zinc/06/07/81/359060781.db2.gz VDDJIRPAWTZQRY-JTQLQIEISA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(Cl)c[nH]1 ZINC000070650740 359061558 /nfs/dbraw/zinc/06/15/58/359061558.db2.gz RUMPQNYZPYVFBU-UHFFFAOYSA-N 1 2 238.678 1.663 20 0 BDADLO Cc1cc(NC(=O)c2ccc(=O)n(C)c2)cc[nH+]1 ZINC000074706562 359125524 /nfs/dbraw/zinc/12/55/24/359125524.db2.gz GATIIUZKDONENO-UHFFFAOYSA-N 1 2 243.266 1.341 20 0 BDADLO Cc1cc(NC(=O)c2ccn(C)c2)cc[nH+]1 ZINC000074949810 359136692 /nfs/dbraw/zinc/13/66/92/359136692.db2.gz LIMPRFPGYOOOEO-UHFFFAOYSA-N 1 2 215.256 1.981 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000248137689 359256464 /nfs/dbraw/zinc/25/64/64/359256464.db2.gz AQWUNKGXARAPBR-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000248137689 359256469 /nfs/dbraw/zinc/25/64/69/359256469.db2.gz AQWUNKGXARAPBR-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCC(C)=O ZINC000633286828 359289836 /nfs/dbraw/zinc/28/98/36/359289836.db2.gz FLHATRNSGIGWLN-JTQLQIEISA-N 1 2 237.303 1.449 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000611650854 359410386 /nfs/dbraw/zinc/41/03/86/359410386.db2.gz QWABTWNOHDVJMU-GMTAPVOTSA-N 1 2 233.315 1.535 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1C2CCC1CC2 ZINC000611687421 359421750 /nfs/dbraw/zinc/42/17/50/359421750.db2.gz RBSKOITUQDGHRX-UHFFFAOYSA-N 1 2 234.303 1.220 20 0 BDADLO CC[C@H](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633349104 359422426 /nfs/dbraw/zinc/42/24/26/359422426.db2.gz MXGOSHXQJJMYAP-JTQLQIEISA-N 1 2 238.335 1.987 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501634 359383192 /nfs/dbraw/zinc/38/31/92/359383192.db2.gz GAZXBKWKJDLSFB-HRDYMLBCSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501634 359383195 /nfs/dbraw/zinc/38/31/95/359383195.db2.gz GAZXBKWKJDLSFB-HRDYMLBCSA-N 1 2 203.257 1.228 20 0 BDADLO Cc1ccoc1CC(=O)NCc1[nH]c[nH+]c1C ZINC000611795630 359452773 /nfs/dbraw/zinc/45/27/73/359452773.db2.gz SRXOEAQLLVJQAF-UHFFFAOYSA-N 1 2 233.271 1.478 20 0 BDADLO O=C1CCC[C@@H](CNc2cccc[nH+]2)N1 ZINC000308932308 491140628 /nfs/dbraw/zinc/14/06/28/491140628.db2.gz MQDZYVFPUFYPGY-VIFPVBQESA-N 1 2 205.261 1.162 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC(C)(C)OC ZINC000580449307 359556162 /nfs/dbraw/zinc/55/61/62/359556162.db2.gz LWEHYCIRTBUHAD-UHFFFAOYSA-N 1 2 239.319 1.334 20 0 BDADLO CC(C)n1cc(CNc2c[nH]c[nH+]2)nn1 ZINC000308999139 491141488 /nfs/dbraw/zinc/14/14/88/491141488.db2.gz NLURWQVWDQECSP-UHFFFAOYSA-N 1 2 206.253 1.194 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)CCO1 ZINC000054172195 359597594 /nfs/dbraw/zinc/59/75/94/359597594.db2.gz TXTLDOFZPLKKFI-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)CCO1 ZINC000054172195 359597598 /nfs/dbraw/zinc/59/75/98/359597598.db2.gz TXTLDOFZPLKKFI-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000628497811 359702087 /nfs/dbraw/zinc/70/20/87/359702087.db2.gz XPEFZEVHARIOSP-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000628497811 359702091 /nfs/dbraw/zinc/70/20/91/359702091.db2.gz XPEFZEVHARIOSP-CYBMUJFWSA-N 1 2 239.315 1.825 20 0 BDADLO CC(C)c1nc(N[C@@H]2COCC2(C)C)cc[nH+]1 ZINC000450855697 202290025 /nfs/dbraw/zinc/29/00/25/202290025.db2.gz MYQDQUFWOKLHLU-SNVBAGLBSA-N 1 2 235.331 1.859 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1C[C@@H]2C[C@@H]2C1 ZINC000628503907 359767954 /nfs/dbraw/zinc/76/79/54/359767954.db2.gz RJIZMEIWCLBLFB-PHIMTYICSA-N 1 2 241.294 1.355 20 0 BDADLO Cc1cc(N2C[C@@H](C)C[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000450933744 202311692 /nfs/dbraw/zinc/31/16/92/202311692.db2.gz AUOPFJMKJASTKC-CABZTGNLSA-N 1 2 247.342 1.870 20 0 BDADLO CC(C)c1nc(N2C[C@@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000450939061 202313591 /nfs/dbraw/zinc/31/35/91/202313591.db2.gz JPHKCSDNHFSPOV-QWRGUYRKSA-N 1 2 235.331 1.807 20 0 BDADLO C[C@H]1C[C@H](O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000450945634 202315809 /nfs/dbraw/zinc/31/58/09/202315809.db2.gz VHOPGTMLYBUFQY-ONGXEEELSA-N 1 2 233.315 1.561 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NCC(C)(C)O)[nH+]1 ZINC000631096756 359811738 /nfs/dbraw/zinc/81/17/38/359811738.db2.gz KJHUIHMFAMXRQQ-UHFFFAOYSA-N 1 2 248.330 1.686 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000450989437 202329048 /nfs/dbraw/zinc/32/90/48/202329048.db2.gz FHTAWWUGEXZTJU-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000450989437 202329052 /nfs/dbraw/zinc/32/90/52/202329052.db2.gz FHTAWWUGEXZTJU-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@H+]2CCCCF)[nH]1 ZINC000450990644 202330305 /nfs/dbraw/zinc/33/03/05/202330305.db2.gz IGIASWJACBVFNC-SECBINFHSA-N 1 2 242.298 1.787 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@@H+]2CCCCF)[nH]1 ZINC000450990644 202330308 /nfs/dbraw/zinc/33/03/08/202330308.db2.gz IGIASWJACBVFNC-SECBINFHSA-N 1 2 242.298 1.787 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451119836 202357490 /nfs/dbraw/zinc/35/74/90/202357490.db2.gz HXEZGYUUGQHQHG-WCQYABFASA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451119836 202357493 /nfs/dbraw/zinc/35/74/93/202357493.db2.gz HXEZGYUUGQHQHG-WCQYABFASA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451120816 202358622 /nfs/dbraw/zinc/35/86/22/202358622.db2.gz LTNPRFVODPZPNR-AAEUAGOBSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451120816 202358624 /nfs/dbraw/zinc/35/86/24/202358624.db2.gz LTNPRFVODPZPNR-AAEUAGOBSA-N 1 2 244.354 1.971 20 0 BDADLO CCCCCNC(=O)C[N@H+](C1CC1)C1COC1 ZINC000451130796 202363404 /nfs/dbraw/zinc/36/34/04/202363404.db2.gz NSBMURYJWWKFRR-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCCCCNC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451130796 202363407 /nfs/dbraw/zinc/36/34/07/202363407.db2.gz NSBMURYJWWKFRR-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451188708 202372730 /nfs/dbraw/zinc/37/27/30/202372730.db2.gz OJJWUEOYYRDTMH-UWVGGRQHSA-N 1 2 230.327 1.724 20 0 BDADLO CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451188708 202372733 /nfs/dbraw/zinc/37/27/33/202372733.db2.gz OJJWUEOYYRDTMH-UWVGGRQHSA-N 1 2 230.327 1.724 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451186198 202373672 /nfs/dbraw/zinc/37/36/72/202373672.db2.gz MKPZSBGNESPCRA-SNVBAGLBSA-N 1 2 216.300 1.337 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451186198 202373676 /nfs/dbraw/zinc/37/36/76/202373676.db2.gz MKPZSBGNESPCRA-SNVBAGLBSA-N 1 2 216.300 1.337 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612582991 359895661 /nfs/dbraw/zinc/89/56/61/359895661.db2.gz UHAKIVRPZFUAMQ-ITGUQSILSA-N 1 2 247.342 1.778 20 0 BDADLO CC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000087600953 359919654 /nfs/dbraw/zinc/91/96/54/359919654.db2.gz ZZRIQRRGQPTHHF-NSHDSACASA-N 1 2 220.251 1.643 20 0 BDADLO CC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000087600953 359919656 /nfs/dbraw/zinc/91/96/56/359919656.db2.gz ZZRIQRRGQPTHHF-NSHDSACASA-N 1 2 220.251 1.643 20 0 BDADLO CC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000087600953 359919662 /nfs/dbraw/zinc/91/96/62/359919662.db2.gz ZZRIQRRGQPTHHF-NSHDSACASA-N 1 2 220.251 1.643 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000087710151 359924624 /nfs/dbraw/zinc/92/46/24/359924624.db2.gz YWAYWCXASQPUHE-WDEREUQCSA-N 1 2 241.331 1.487 20 0 BDADLO CCc1noc(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000088759082 359976108 /nfs/dbraw/zinc/97/61/08/359976108.db2.gz GJQDAEFUQPTZTQ-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CCc1noc(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000088759082 359976113 /nfs/dbraw/zinc/97/61/13/359976113.db2.gz GJQDAEFUQPTZTQ-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000451624992 202452249 /nfs/dbraw/zinc/45/22/49/202452249.db2.gz SJRGYCLAUNULHO-NXEZZACHSA-N 1 2 237.303 1.604 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612793413 360060010 /nfs/dbraw/zinc/06/00/10/360060010.db2.gz JHHDDRAFDCOWIN-FBIMIBRVSA-N 1 2 249.314 1.007 20 0 BDADLO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000090579338 360078581 /nfs/dbraw/zinc/07/85/81/360078581.db2.gz UXXMHALTJWFHHA-AEJSXWLSSA-N 1 2 229.320 1.484 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000091964783 360138710 /nfs/dbraw/zinc/13/87/10/360138710.db2.gz TWUKRWRXNVYSKQ-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000091964783 360138714 /nfs/dbraw/zinc/13/87/14/360138714.db2.gz TWUKRWRXNVYSKQ-ZDUSSCGKSA-N 1 2 237.347 1.965 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cncs1 ZINC000091980361 360139928 /nfs/dbraw/zinc/13/99/28/360139928.db2.gz KLPWFASCIQQONX-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cncs1 ZINC000091980361 360139930 /nfs/dbraw/zinc/13/99/30/360139930.db2.gz KLPWFASCIQQONX-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@H]1C ZINC000492459468 259510908 /nfs/dbraw/zinc/51/09/08/259510908.db2.gz PRIFXKXIOBUROD-XUIVZRPNSA-N 1 2 233.315 1.927 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cccnc2C)CCO1 ZINC000093529429 360256072 /nfs/dbraw/zinc/25/60/72/360256072.db2.gz RKWKIAQZGHZAME-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cccnc2C)CCO1 ZINC000093529429 360256074 /nfs/dbraw/zinc/25/60/74/360256074.db2.gz RKWKIAQZGHZAME-CYBMUJFWSA-N 1 2 236.315 1.237 20 0 BDADLO CCCCc1noc(C[N@H+](C)CCOCC)n1 ZINC000093311522 360227327 /nfs/dbraw/zinc/22/73/27/360227327.db2.gz KITFPBZCPJDCLZ-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCCCc1noc(C[N@@H+](C)CCOCC)n1 ZINC000093311522 360227333 /nfs/dbraw/zinc/22/73/33/360227333.db2.gz KITFPBZCPJDCLZ-UHFFFAOYSA-N 1 2 241.335 1.881 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000093312995 360228067 /nfs/dbraw/zinc/22/80/67/360228067.db2.gz MRHHPMUNCYONHT-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000093312995 360228068 /nfs/dbraw/zinc/22/80/68/360228068.db2.gz MRHHPMUNCYONHT-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000093319071 360231029 /nfs/dbraw/zinc/23/10/29/360231029.db2.gz NNYXQLWSDLJCIU-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000093319071 360231032 /nfs/dbraw/zinc/23/10/32/360231032.db2.gz NNYXQLWSDLJCIU-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000612996228 360249331 /nfs/dbraw/zinc/24/93/31/360249331.db2.gz FJWLZEQHUYUTII-VXGBXAGGSA-N 1 2 245.326 1.702 20 0 BDADLO CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000094165689 360297410 /nfs/dbraw/zinc/29/74/10/360297410.db2.gz IXXCUPRYTAQDOW-UHFFFAOYSA-N 1 2 217.272 1.481 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841871 360283259 /nfs/dbraw/zinc/28/32/59/360283259.db2.gz LHQWGZAGWKNBOW-ZDUSSCGKSA-N 1 2 247.298 1.885 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841871 360283261 /nfs/dbraw/zinc/28/32/61/360283261.db2.gz LHQWGZAGWKNBOW-ZDUSSCGKSA-N 1 2 247.298 1.885 20 0 BDADLO c1coc([C@@H]2C[N@H+](CC3=CCCOC3)CCO2)c1 ZINC000093841750 360283459 /nfs/dbraw/zinc/28/34/59/360283459.db2.gz JLCLWNXKLPVHJX-AWEZNQCLSA-N 1 2 249.310 2.000 20 0 BDADLO c1coc([C@@H]2C[N@@H+](CC3=CCCOC3)CCO2)c1 ZINC000093841750 360283461 /nfs/dbraw/zinc/28/34/61/360283461.db2.gz JLCLWNXKLPVHJX-AWEZNQCLSA-N 1 2 249.310 2.000 20 0 BDADLO O=C(NC1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096785680 360354358 /nfs/dbraw/zinc/35/43/58/360354358.db2.gz CTHRPMFEWIXJOM-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096641920 360350937 /nfs/dbraw/zinc/35/09/37/360350937.db2.gz MXRKIGKMWUNNOO-SNVBAGLBSA-N 1 2 245.282 1.355 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncccc2F)on1 ZINC000631098589 360373203 /nfs/dbraw/zinc/37/32/03/360373203.db2.gz CEDZRUHITIRKBJ-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CC(C)(F)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000633726030 360415272 /nfs/dbraw/zinc/41/52/72/360415272.db2.gz UOWYVGPZOOOQSA-UHFFFAOYSA-N 1 2 235.262 1.812 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000397888528 363742349 /nfs/dbraw/zinc/74/23/49/363742349.db2.gz QFJGADHKVBPOKX-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](CO)CCC(C)C)c[nH+]1 ZINC000628711394 360621471 /nfs/dbraw/zinc/62/14/71/360621471.db2.gz MXZKFOQVPIOFDN-JTQLQIEISA-N 1 2 239.319 1.245 20 0 BDADLO CCC(F)(F)CNC(=O)Cn1cc[nH+]c1 ZINC000628839435 360693460 /nfs/dbraw/zinc/69/34/60/360693460.db2.gz KIWRMYCMKGITQM-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000061759228 360662205 /nfs/dbraw/zinc/66/22/05/360662205.db2.gz JBRABNQUUSERFP-QMMMGPOBSA-N 1 2 244.747 1.851 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000061759228 360662207 /nfs/dbraw/zinc/66/22/07/360662207.db2.gz JBRABNQUUSERFP-QMMMGPOBSA-N 1 2 244.747 1.851 20 0 BDADLO NC(=O)c1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000054763540 181305206 /nfs/dbraw/zinc/30/52/06/181305206.db2.gz VHSZKXXCQBLUOD-UHFFFAOYSA-N 1 2 216.244 1.121 20 0 BDADLO NC(=O)c1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000054763540 181305209 /nfs/dbraw/zinc/30/52/09/181305209.db2.gz VHSZKXXCQBLUOD-UHFFFAOYSA-N 1 2 216.244 1.121 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1CCCC1 ZINC000628926932 360759137 /nfs/dbraw/zinc/75/91/37/360759137.db2.gz ZNQKURGYVGGYEO-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1CCCC1 ZINC000628926932 360759140 /nfs/dbraw/zinc/75/91/40/360759140.db2.gz ZNQKURGYVGGYEO-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000629032952 360814649 /nfs/dbraw/zinc/81/46/49/360814649.db2.gz QUUAEPNWKUQCDH-VMZHVLLKSA-N 1 2 219.288 1.138 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000629033474 360817730 /nfs/dbraw/zinc/81/77/30/360817730.db2.gz VTIVYFFZWRCZQV-PBKGFPTLSA-N 1 2 219.288 1.138 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000629034020 360819886 /nfs/dbraw/zinc/81/98/86/360819886.db2.gz ZVMCOAODIWPZEL-VMZHVLLKSA-N 1 2 219.288 1.138 20 0 BDADLO C/C=C\CNC(=O)CCCn1cc[nH+]c1 ZINC000629034862 360822049 /nfs/dbraw/zinc/82/20/49/360822049.db2.gz BEGRXIIDPQAEGL-IHWYPQMZSA-N 1 2 207.277 1.356 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)CCC ZINC000063761768 360870368 /nfs/dbraw/zinc/87/03/68/360870368.db2.gz BXJBBPGRTHXVLN-UHFFFAOYSA-N 1 2 211.313 1.315 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)CCC ZINC000063761768 360870370 /nfs/dbraw/zinc/87/03/70/360870370.db2.gz BXJBBPGRTHXVLN-UHFFFAOYSA-N 1 2 211.313 1.315 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629146329 360903362 /nfs/dbraw/zinc/90/33/62/360903362.db2.gz SXDFLGWFZTYJMA-NWDGAFQWSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629146329 360903368 /nfs/dbraw/zinc/90/33/68/360903368.db2.gz SXDFLGWFZTYJMA-NWDGAFQWSA-N 1 2 249.314 1.026 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000414426311 219880465 /nfs/dbraw/zinc/88/04/65/219880465.db2.gz CIVAIGNCBVUTOV-ZDUSSCGKSA-N 1 2 247.342 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H](C3CC3)C2)cn1 ZINC000414426311 219880467 /nfs/dbraw/zinc/88/04/67/219880467.db2.gz CIVAIGNCBVUTOV-ZDUSSCGKSA-N 1 2 247.342 1.650 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nc(N)[nH+]1 ZINC000631204260 360929439 /nfs/dbraw/zinc/92/94/39/360929439.db2.gz YBANIWOHENFTBE-LSJOCFKGSA-N 1 2 247.346 1.607 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000631204260 360929441 /nfs/dbraw/zinc/92/94/41/360929441.db2.gz YBANIWOHENFTBE-LSJOCFKGSA-N 1 2 247.346 1.607 20 0 BDADLO CC[C@H]1C[C@H](CNCC(F)(F)C[NH3+])CCO1 ZINC000414922800 200782081 /nfs/dbraw/zinc/78/20/81/200782081.db2.gz DFDGFUJWKOQFSB-ZJUUUORDSA-N 1 2 236.306 1.375 20 0 BDADLO C[NH2+]c1ccc(NCc2cnnn2C)cc1 ZINC000629388954 361035774 /nfs/dbraw/zinc/03/57/74/361035774.db2.gz GCVUXNNPOMFTRW-UHFFFAOYSA-N 1 2 217.276 1.469 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1cn[nH]n1)C(C)(C)C ZINC000640348835 361070439 /nfs/dbraw/zinc/07/04/39/361070439.db2.gz SGIWTTQJENBKQU-VIFPVBQESA-N 1 2 210.325 1.919 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1cn[nH]n1)C(C)(C)C ZINC000640348835 361070442 /nfs/dbraw/zinc/07/04/42/361070442.db2.gz SGIWTTQJENBKQU-VIFPVBQESA-N 1 2 210.325 1.919 20 0 BDADLO C[C@H](C[N@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000640350793 361076789 /nfs/dbraw/zinc/07/67/89/361076789.db2.gz STAXCEHRTPYLSD-MRVPVSSYSA-N 1 2 226.324 1.624 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000640350793 361076796 /nfs/dbraw/zinc/07/67/96/361076796.db2.gz STAXCEHRTPYLSD-MRVPVSSYSA-N 1 2 226.324 1.624 20 0 BDADLO O=C(Cc1ccco1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000169798287 361131937 /nfs/dbraw/zinc/13/19/37/361131937.db2.gz MLMTXKADOBVQJM-SNVBAGLBSA-N 1 2 245.282 1.150 20 0 BDADLO CC[NH+](CC)CC(=O)Nc1cccc2[nH]nnc21 ZINC000640379907 361188434 /nfs/dbraw/zinc/18/84/34/361188434.db2.gz MDJABZMXNOUQAW-UHFFFAOYSA-N 1 2 247.302 1.238 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)c1ccccc1F ZINC000640487187 361276948 /nfs/dbraw/zinc/27/69/48/361276948.db2.gz PXVHFZDGNFXVCH-ZANVPECISA-N 1 2 235.258 1.075 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)c1ccccc1F ZINC000640487187 361276955 /nfs/dbraw/zinc/27/69/55/361276955.db2.gz PXVHFZDGNFXVCH-ZANVPECISA-N 1 2 235.258 1.075 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000640487532 361279996 /nfs/dbraw/zinc/27/99/96/361279996.db2.gz NHACTNJKBWCMQE-LLVKDONJSA-N 1 2 235.287 1.548 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000640487532 361280000 /nfs/dbraw/zinc/28/00/00/361280000.db2.gz NHACTNJKBWCMQE-LLVKDONJSA-N 1 2 235.287 1.548 20 0 BDADLO CC[N@@H+]1C[C@@H](C)N(Cc2n[nH]c(C)n2)C[C@@H]1C ZINC000428296014 201006023 /nfs/dbraw/zinc/00/60/23/201006023.db2.gz UYHRORKUIITBJT-VHSXEESVSA-N 1 2 237.351 1.028 20 0 BDADLO CC[N@H+]1C[C@@H](C)N(Cc2n[nH]c(C)n2)C[C@@H]1C ZINC000428296014 201006026 /nfs/dbraw/zinc/00/60/26/201006026.db2.gz UYHRORKUIITBJT-VHSXEESVSA-N 1 2 237.351 1.028 20 0 BDADLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)OC)C2 ZINC000428383903 201013700 /nfs/dbraw/zinc/01/37/00/201013700.db2.gz SSZDLANYNBORFF-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)OC)C2 ZINC000428383903 201013703 /nfs/dbraw/zinc/01/37/03/201013703.db2.gz SSZDLANYNBORFF-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](F)C1 ZINC000579245702 366745523 /nfs/dbraw/zinc/74/55/23/366745523.db2.gz PMGODKOOGLLCMI-GHMZBOCLSA-N 1 2 239.294 1.670 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1oc(C(C)C)nc1C ZINC000428940639 201049659 /nfs/dbraw/zinc/04/96/59/201049659.db2.gz FTRWPBVREJACNL-UHFFFAOYSA-N 1 2 239.319 1.414 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1oc(C(C)C)nc1C ZINC000428940639 201049662 /nfs/dbraw/zinc/04/96/62/201049662.db2.gz FTRWPBVREJACNL-UHFFFAOYSA-N 1 2 239.319 1.414 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428709429 201036373 /nfs/dbraw/zinc/03/63/73/201036373.db2.gz JYNGWJQSOMATHI-WCBMZHEXSA-N 1 2 233.258 1.527 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428709429 201036376 /nfs/dbraw/zinc/03/63/76/201036376.db2.gz JYNGWJQSOMATHI-WCBMZHEXSA-N 1 2 233.258 1.527 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428761335 201042109 /nfs/dbraw/zinc/04/21/09/201042109.db2.gz UYIQUVHAMZPNRC-NGZCFLSTSA-N 1 2 247.285 1.915 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428761335 201042113 /nfs/dbraw/zinc/04/21/13/201042113.db2.gz UYIQUVHAMZPNRC-NGZCFLSTSA-N 1 2 247.285 1.915 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CCCCO)[nH]1 ZINC000428955822 201053424 /nfs/dbraw/zinc/05/34/24/201053424.db2.gz LRMBLINPMCFDJU-UHFFFAOYSA-N 1 2 226.324 1.132 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CCCCO)[nH]1 ZINC000428955822 201053425 /nfs/dbraw/zinc/05/34/25/201053425.db2.gz LRMBLINPMCFDJU-UHFFFAOYSA-N 1 2 226.324 1.132 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C[C@H](C)O ZINC000428971122 201055728 /nfs/dbraw/zinc/05/57/28/201055728.db2.gz AFNBTLVZUUCNJJ-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)C[C@H](C)O ZINC000428971122 201055732 /nfs/dbraw/zinc/05/57/32/201055732.db2.gz AFNBTLVZUUCNJJ-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ncn1 ZINC000428989669 201057056 /nfs/dbraw/zinc/05/70/56/201057056.db2.gz FCLXCJGZMHZFAU-SMDDNHRTSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ncn1 ZINC000428989669 201057059 /nfs/dbraw/zinc/05/70/59/201057059.db2.gz FCLXCJGZMHZFAU-SMDDNHRTSA-N 1 2 247.342 1.784 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000429264114 201086401 /nfs/dbraw/zinc/08/64/01/201086401.db2.gz LNAAZSGZQZHNGB-UHFFFAOYSA-N 1 2 240.351 1.785 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000429264114 201086403 /nfs/dbraw/zinc/08/64/03/201086403.db2.gz LNAAZSGZQZHNGB-UHFFFAOYSA-N 1 2 240.351 1.785 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429286668 201090958 /nfs/dbraw/zinc/09/09/58/201090958.db2.gz KAQVAOWUILHMBK-UHFFFAOYSA-N 1 2 238.335 1.226 20 0 BDADLO CC(C)CCOCC[N@H+]1CCc2nn[nH]c2C1 ZINC000429286668 201090960 /nfs/dbraw/zinc/09/09/60/201090960.db2.gz KAQVAOWUILHMBK-UHFFFAOYSA-N 1 2 238.335 1.226 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CC(C)(C)O ZINC000429283940 201092227 /nfs/dbraw/zinc/09/22/27/201092227.db2.gz KMGWRMFUONLWPO-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CC(C)(C)O ZINC000429283940 201092231 /nfs/dbraw/zinc/09/22/31/201092231.db2.gz KMGWRMFUONLWPO-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000429229625 201080470 /nfs/dbraw/zinc/08/04/70/201080470.db2.gz UKTVAZAPKSQKJR-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000429229625 201080472 /nfs/dbraw/zinc/08/04/72/201080472.db2.gz UKTVAZAPKSQKJR-UHFFFAOYSA-N 1 2 239.319 1.804 20 0 BDADLO Cc1ncc(CNc2nc(C)[nH+]cc2C)o1 ZINC000579252066 366748693 /nfs/dbraw/zinc/74/86/93/366748693.db2.gz RTOIRUALRDXQRE-UHFFFAOYSA-N 1 2 218.260 1.424 20 0 BDADLO C[C@H]1CC[C@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563533 201114287 /nfs/dbraw/zinc/11/42/87/201114287.db2.gz CKBIIYVBFDOJKB-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H]1CC[C@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563533 201114291 /nfs/dbraw/zinc/11/42/91/201114291.db2.gz CKBIIYVBFDOJKB-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1CC[C@@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563529 201114611 /nfs/dbraw/zinc/11/46/11/201114611.db2.gz CKBIIYVBFDOJKB-HTQZYQBOSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)C1 ZINC000429563529 201114615 /nfs/dbraw/zinc/11/46/15/201114615.db2.gz CKBIIYVBFDOJKB-HTQZYQBOSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@H]1CC[N@H+](CCOCC2CC2)CC[S@]1=O ZINC000429596395 201120240 /nfs/dbraw/zinc/12/02/40/201120240.db2.gz YBGYJDQULBBLPU-MEDUHNTESA-N 1 2 245.388 1.256 20 0 BDADLO C[C@H]1CC[N@@H+](CCOCC2CC2)CC[S@]1=O ZINC000429596395 201120242 /nfs/dbraw/zinc/12/02/42/201120242.db2.gz YBGYJDQULBBLPU-MEDUHNTESA-N 1 2 245.388 1.256 20 0 BDADLO C[C@@H]1CC[N@H+](CCOCC2CC2)CC[S@@]1=O ZINC000429596391 201121944 /nfs/dbraw/zinc/12/19/44/201121944.db2.gz YBGYJDQULBBLPU-BZNIZROVSA-N 1 2 245.388 1.256 20 0 BDADLO C[C@@H]1CC[N@@H+](CCOCC2CC2)CC[S@@]1=O ZINC000429596391 201121947 /nfs/dbraw/zinc/12/19/47/201121947.db2.gz YBGYJDQULBBLPU-BZNIZROVSA-N 1 2 245.388 1.256 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1noc(C)n1)[C@H]1CCCO1 ZINC000429685119 201126877 /nfs/dbraw/zinc/12/68/77/201126877.db2.gz NWBRZBTZCJVOHU-INTQDDNPSA-N 1 2 239.319 1.986 20 0 BDADLO COC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000429710956 201129274 /nfs/dbraw/zinc/12/92/74/201129274.db2.gz CUBRRPIUGKNILX-MRVPVSSYSA-N 1 2 225.292 1.550 20 0 BDADLO COC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000429708090 201129652 /nfs/dbraw/zinc/12/96/52/201129652.db2.gz IRMYEIZLSVWZQK-YUSALJHKSA-N 1 2 239.315 1.097 20 0 BDADLO Cc1c[nH+]c(CN2CC[C@H](O)C[C@@H]2C)n1C ZINC000430139737 201146054 /nfs/dbraw/zinc/14/60/54/201146054.db2.gz LJUVAGWCDQPGAE-ONGXEEELSA-N 1 2 223.320 1.074 20 0 BDADLO CCc1cc(C[NH2+]Cc2[nH]ncc2C)on1 ZINC000309952646 491158838 /nfs/dbraw/zinc/15/88/38/491158838.db2.gz GWMQAXZMXBQJBV-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CCc1cc(C[NH2+]Cc2n[nH]cc2C)on1 ZINC000309952646 491158839 /nfs/dbraw/zinc/15/88/39/491158839.db2.gz GWMQAXZMXBQJBV-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO CC[C@](C)(O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433787644 201193499 /nfs/dbraw/zinc/19/34/99/201193499.db2.gz WRODTAIPSDSQGX-LBPRGKRZSA-N 1 2 234.303 1.261 20 0 BDADLO CO[C@@H](CNc1[nH+]c(C)nc2[nH]ccc21)C(C)C ZINC000433777733 201194838 /nfs/dbraw/zinc/19/48/38/201194838.db2.gz PBOZRHMBSKZGQD-NSHDSACASA-N 1 2 248.330 1.771 20 0 BDADLO CCc1cc(N[C@@H](CO)CC2CC2)nc[nH+]1 ZINC000309976704 491159215 /nfs/dbraw/zinc/15/92/15/491159215.db2.gz TWZFHLSPNPCHGP-LLVKDONJSA-N 1 2 221.304 1.612 20 0 BDADLO COCc1noc([C@@H]([NH3+])c2cccc(OC)c2)n1 ZINC000629678187 361600898 /nfs/dbraw/zinc/60/08/98/361600898.db2.gz IIGCUZPVPNCPRE-NSHDSACASA-N 1 2 249.270 1.273 20 0 BDADLO CO[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000629691700 361619383 /nfs/dbraw/zinc/61/93/83/361619383.db2.gz XHLGYVNGWGNNEN-DCAQKATOSA-N 1 2 237.303 1.128 20 0 BDADLO CC[C@H](CO)Nc1ccc(-c2cnn(C)c2)c[nH+]1 ZINC000629690190 361625273 /nfs/dbraw/zinc/62/52/73/361625273.db2.gz HGBJUAICBZXDJB-GFCCVEGCSA-N 1 2 246.314 1.665 20 0 BDADLO OCCCCNc1ccc(-c2cccnc2)c[nH+]1 ZINC000629712107 361649148 /nfs/dbraw/zinc/64/91/48/361649148.db2.gz MIOSTUQDWVUXGM-UHFFFAOYSA-N 1 2 243.310 1.750 20 0 BDADLO CCNc1ccc(-c2cnn(C)c2C)c[nH+]1 ZINC000629730643 361670006 /nfs/dbraw/zinc/67/00/06/361670006.db2.gz OYUYYKVVLDPOCH-UHFFFAOYSA-N 1 2 216.288 1.644 20 0 BDADLO CCNC(=O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000436195033 201314922 /nfs/dbraw/zinc/31/49/22/201314922.db2.gz QYEHYNLFSIEGMA-UHFFFAOYSA-N 1 2 247.273 1.922 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC12CC2 ZINC000629828867 361725659 /nfs/dbraw/zinc/72/56/59/361725659.db2.gz ZVDMBEZWTVNXRC-NSHDSACASA-N 1 2 233.315 1.580 20 0 BDADLO Cc1nc(C[N@H+](C)CC2CCOCC2)no1 ZINC000155805544 201353853 /nfs/dbraw/zinc/35/38/53/201353853.db2.gz MLHCAQPSBWGSJR-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2CCOCC2)no1 ZINC000155805544 201353856 /nfs/dbraw/zinc/35/38/56/201353856.db2.gz MLHCAQPSBWGSJR-UHFFFAOYSA-N 1 2 225.292 1.236 20 0 BDADLO COCC[N@H+](Cc1c(Cl)cnn1C)C1CC1 ZINC000437577779 201358479 /nfs/dbraw/zinc/35/84/79/201358479.db2.gz MYZORMXQLAIPDZ-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO COCC[N@@H+](Cc1c(Cl)cnn1C)C1CC1 ZINC000437577779 201358481 /nfs/dbraw/zinc/35/84/81/201358481.db2.gz MYZORMXQLAIPDZ-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1nnnc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437827724 201375643 /nfs/dbraw/zinc/37/56/43/201375643.db2.gz GMOSTWQYZXOMCW-GFCCVEGCSA-N 1 2 243.314 1.027 20 0 BDADLO Cn1nnnc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437827724 201375647 /nfs/dbraw/zinc/37/56/47/201375647.db2.gz GMOSTWQYZXOMCW-GFCCVEGCSA-N 1 2 243.314 1.027 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000437898660 201377545 /nfs/dbraw/zinc/37/75/45/201377545.db2.gz BPBKXKDDVXWBLE-LLVKDONJSA-N 1 2 249.358 1.737 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000437898660 201377549 /nfs/dbraw/zinc/37/75/49/201377549.db2.gz BPBKXKDDVXWBLE-LLVKDONJSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cncs1 ZINC000437908815 201378402 /nfs/dbraw/zinc/37/84/02/201378402.db2.gz JZUVFRHEWBKDMI-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614799734 363977378 /nfs/dbraw/zinc/97/73/78/363977378.db2.gz VBPVRKVAFVEYAH-OPRDCNLKSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614799734 363977384 /nfs/dbraw/zinc/97/73/84/363977384.db2.gz VBPVRKVAFVEYAH-OPRDCNLKSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614801009 363979941 /nfs/dbraw/zinc/97/99/41/363979941.db2.gz ZXNYHOQDKHNRBZ-ZDCRXTMVSA-N 1 2 233.315 1.438 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCCO1 ZINC000622082558 370699224 /nfs/dbraw/zinc/69/92/24/370699224.db2.gz PKABBJZEKCVJTB-VHSXEESVSA-N 1 2 237.303 1.259 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCCO1 ZINC000622082557 370699855 /nfs/dbraw/zinc/69/98/55/370699855.db2.gz PKABBJZEKCVJTB-UWVGGRQHSA-N 1 2 237.303 1.259 20 0 BDADLO CC(C)(C(=O)N1CC[C@H](F)C1)c1c[nH+]c[nH]1 ZINC000622085003 370700930 /nfs/dbraw/zinc/70/09/30/370700930.db2.gz MOEQJOFWSDMSMA-QMMMGPOBSA-N 1 2 225.267 1.258 20 0 BDADLO CC(C)(C(=O)N1CC[C@@H](F)C1)c1c[nH+]c[nH]1 ZINC000622085002 370701037 /nfs/dbraw/zinc/70/10/37/370701037.db2.gz MOEQJOFWSDMSMA-MRVPVSSYSA-N 1 2 225.267 1.258 20 0 BDADLO CCc1nnc(C[N@H+](C)CCSC)o1 ZINC000151161042 192951046 /nfs/dbraw/zinc/95/10/46/192951046.db2.gz IVUJSIFIBRDOAT-UHFFFAOYSA-N 1 2 215.322 1.427 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCSC)o1 ZINC000151161042 192951049 /nfs/dbraw/zinc/95/10/49/192951049.db2.gz IVUJSIFIBRDOAT-UHFFFAOYSA-N 1 2 215.322 1.427 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438366862 201407200 /nfs/dbraw/zinc/40/72/00/201407200.db2.gz YFFPWFCIEPIRPN-SDDRHHMPSA-N 1 2 237.347 1.901 20 0 BDADLO Cc1cnn(CCC(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000080266179 370744273 /nfs/dbraw/zinc/74/42/73/370744273.db2.gz ZTOGIWRXECIUAQ-UHFFFAOYSA-N 1 2 244.298 1.924 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)C1CCC1 ZINC000075841908 364363323 /nfs/dbraw/zinc/36/33/23/364363323.db2.gz FWXQZUVJLQVURN-UHFFFAOYSA-N 1 2 223.324 1.458 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)C1CCC1 ZINC000075841908 364363328 /nfs/dbraw/zinc/36/33/28/364363328.db2.gz FWXQZUVJLQVURN-UHFFFAOYSA-N 1 2 223.324 1.458 20 0 BDADLO COc1cc(NC(=O)C[NH+]2CC(C)(C)C2)ccn1 ZINC000615007132 364351597 /nfs/dbraw/zinc/35/15/97/364351597.db2.gz PUEVHLAJDYJEKA-UHFFFAOYSA-N 1 2 249.314 1.371 20 0 BDADLO CC1=CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000579511852 366839744 /nfs/dbraw/zinc/83/97/44/366839744.db2.gz WLIQYHFSXAXHSC-UHFFFAOYSA-N 1 2 219.288 1.141 20 0 BDADLO CSCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000134912640 364419156 /nfs/dbraw/zinc/41/91/56/364419156.db2.gz PXKJUGSLMDZCGQ-UHFFFAOYSA-N 1 2 213.306 1.169 20 0 BDADLO CC[C@@](C)(NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000618962551 364421598 /nfs/dbraw/zinc/42/15/98/364421598.db2.gz WSUSONYTQAOEKR-CYBMUJFWSA-N 1 2 235.331 1.658 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC(C2CC2)C1 ZINC000615104030 364491684 /nfs/dbraw/zinc/49/16/84/364491684.db2.gz NLGNIQFMFNMXNR-SNVBAGLBSA-N 1 2 245.326 1.383 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC(C2CC2)C1 ZINC000615104030 364491685 /nfs/dbraw/zinc/49/16/85/364491685.db2.gz NLGNIQFMFNMXNR-SNVBAGLBSA-N 1 2 245.326 1.383 20 0 BDADLO CCn1ccnc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615157350 364547968 /nfs/dbraw/zinc/54/79/68/364547968.db2.gz CDUBBVCJAWZBDD-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO C[C@@H](NC(=O)C1(O)CCCCC1)c1[nH]cc[nH+]1 ZINC000615158740 364552447 /nfs/dbraw/zinc/55/24/47/364552447.db2.gz ACXZUKQNSBWZBU-SECBINFHSA-N 1 2 237.303 1.282 20 0 BDADLO CC1CC(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000622237934 370783525 /nfs/dbraw/zinc/78/35/25/370783525.db2.gz WTEFBNFUAYEFTA-ILDUYXDCSA-N 1 2 247.342 1.677 20 0 BDADLO CC1CC(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000622237934 370783531 /nfs/dbraw/zinc/78/35/31/370783531.db2.gz WTEFBNFUAYEFTA-ILDUYXDCSA-N 1 2 247.342 1.677 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615212894 364630120 /nfs/dbraw/zinc/63/01/20/364630120.db2.gz XAERPNBSMRAHIH-NXEZZACHSA-N 1 2 233.315 1.526 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615212894 364630127 /nfs/dbraw/zinc/63/01/27/364630127.db2.gz XAERPNBSMRAHIH-NXEZZACHSA-N 1 2 233.315 1.526 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000093313476 364692727 /nfs/dbraw/zinc/69/27/27/364692727.db2.gz ITZPUBVDZXIYKC-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000093313476 364692736 /nfs/dbraw/zinc/69/27/36/364692736.db2.gz ITZPUBVDZXIYKC-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO COc1ccc[nH+]c1NC[C@@](C)(O)C1CC1 ZINC000309777518 364728946 /nfs/dbraw/zinc/72/89/46/364728946.db2.gz QFGGKOPCRGBOTP-GFCCVEGCSA-N 1 2 222.288 1.663 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCCC1 ZINC000573264173 364790243 /nfs/dbraw/zinc/79/02/43/364790243.db2.gz WGSJFOKZBLXTEI-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCCC1 ZINC000573264173 364790248 /nfs/dbraw/zinc/79/02/48/364790248.db2.gz WGSJFOKZBLXTEI-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO C[NH2+]Cc1noc(CNc2ccccc2)n1 ZINC000573605829 364872970 /nfs/dbraw/zinc/87/29/70/364872970.db2.gz AIPGECSCTPOONR-UHFFFAOYSA-N 1 2 218.260 1.401 20 0 BDADLO CC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)O ZINC000573733417 364905115 /nfs/dbraw/zinc/90/51/15/364905115.db2.gz IDMRKUFYODSXCV-MXWKQRLJSA-N 1 2 239.319 1.110 20 0 BDADLO CCCn1ccc(C[NH2+]Cc2ncccn2)c1 ZINC000573744188 364909532 /nfs/dbraw/zinc/90/95/32/364909532.db2.gz ZWNBVKVNKVZMEI-UHFFFAOYSA-N 1 2 230.315 1.978 20 0 BDADLO Clc1ccc(C[N@@H+]2CCCOCC2)nc1 ZINC000334891874 541418095 /nfs/dbraw/zinc/41/80/95/541418095.db2.gz YYDMPLVWJIKMKR-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1ccc(C[N@H+]2CCCOCC2)nc1 ZINC000334891874 541418097 /nfs/dbraw/zinc/41/80/97/541418097.db2.gz YYDMPLVWJIKMKR-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Cc1ccccc1C(=O)NCc1c[nH+]cn1C ZINC000336015301 541424124 /nfs/dbraw/zinc/42/41/24/541424124.db2.gz WKIQIRZSLJXUDE-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO CC(C)n1ccc(C[NH2+]Cc2ccc(CO)o2)n1 ZINC000573989430 364963197 /nfs/dbraw/zinc/96/31/97/364963197.db2.gz KJNQVVXIUCKFSI-UHFFFAOYSA-N 1 2 249.314 1.839 20 0 BDADLO C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C1CC1 ZINC000574164392 364999634 /nfs/dbraw/zinc/99/96/34/364999634.db2.gz HKQQJQFONQMOSH-QMMMGPOBSA-N 1 2 221.304 1.807 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)CCC(C)C ZINC000574393051 365051388 /nfs/dbraw/zinc/05/13/88/365051388.db2.gz OIBOLOSWICWZGU-GFCCVEGCSA-N 1 2 225.336 1.605 20 0 BDADLO C[C@H](CC(=O)N1CCC(=O)[C@@H](C)C1)n1cc[nH+]c1 ZINC000574405478 365055120 /nfs/dbraw/zinc/05/51/20/365055120.db2.gz DRWUXOSHHPRYAX-WDEREUQCSA-N 1 2 249.314 1.272 20 0 BDADLO COc1ccc[nH+]c1NCc1cn(C)nc1C ZINC000169026063 365059480 /nfs/dbraw/zinc/05/94/80/365059480.db2.gz ZQSLNOMNZXCHRR-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[C@H](CC(=O)NCCCF)n1cc[nH+]c1 ZINC000574457833 365066509 /nfs/dbraw/zinc/06/65/09/365066509.db2.gz RCRODTXGCDWIBO-SECBINFHSA-N 1 2 213.256 1.310 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000574455783 365066957 /nfs/dbraw/zinc/06/69/57/365066957.db2.gz IHCGTFSZLCJLAI-SRVKXCTJSA-N 1 2 249.358 1.996 20 0 BDADLO CCC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000574282810 365027414 /nfs/dbraw/zinc/02/74/14/365027414.db2.gz JYDFJPJPFWOFGP-GFCCVEGCSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cnn1C ZINC000574642812 365110832 /nfs/dbraw/zinc/11/08/32/365110832.db2.gz CZRAQJIYGZHRFL-SECBINFHSA-N 1 2 247.302 1.515 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1ccc2c(n1)CCC2=O ZINC000574668006 365118381 /nfs/dbraw/zinc/11/83/81/365118381.db2.gz SIVBFAZQFXQIMA-UHFFFAOYSA-N 1 2 242.282 1.570 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171193472 365178345 /nfs/dbraw/zinc/17/83/45/365178345.db2.gz QCWVZJJAKYKFLR-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC1(C)C ZINC000574767152 365139426 /nfs/dbraw/zinc/13/94/26/365139426.db2.gz BMWVLSCDVPAWOO-WPRPVWTQSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC1(C)C ZINC000574767152 365139429 /nfs/dbraw/zinc/13/94/29/365139429.db2.gz BMWVLSCDVPAWOO-WPRPVWTQSA-N 1 2 221.304 1.503 20 0 BDADLO CCC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000574783329 365144011 /nfs/dbraw/zinc/14/40/11/365144011.db2.gz WLGBTJFQVXMVQU-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC(CC2CC2)C1 ZINC000622247376 370797660 /nfs/dbraw/zinc/79/76/60/370797660.db2.gz AFGXJXBVQWQIKA-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC(CC2CC2)C1 ZINC000622247376 370797665 /nfs/dbraw/zinc/79/76/65/370797665.db2.gz AFGXJXBVQWQIKA-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C)C2)n1C ZINC000171686863 365225549 /nfs/dbraw/zinc/22/55/49/365225549.db2.gz PPPRSCVBCPEKKV-QMMMGPOBSA-N 1 2 226.349 1.061 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C)C2)n1C ZINC000171686863 365225555 /nfs/dbraw/zinc/22/55/55/365225555.db2.gz PPPRSCVBCPEKKV-QMMMGPOBSA-N 1 2 226.349 1.061 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000068475618 370807540 /nfs/dbraw/zinc/80/75/40/370807540.db2.gz JLERICUUWCXZQD-IUCAKERBSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000068475618 370807547 /nfs/dbraw/zinc/80/75/47/370807547.db2.gz JLERICUUWCXZQD-IUCAKERBSA-N 1 2 239.319 1.938 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000622274760 370815106 /nfs/dbraw/zinc/81/51/06/370815106.db2.gz ZCYCUKHZERHLGI-MRVPVSSYSA-N 1 2 229.230 1.045 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)no1 ZINC000439296535 201444590 /nfs/dbraw/zinc/44/45/90/201444590.db2.gz PLRAPTHQKYJBOE-MGCOHNPYSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)no1 ZINC000439296535 201444591 /nfs/dbraw/zinc/44/45/91/201444591.db2.gz PLRAPTHQKYJBOE-MGCOHNPYSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000575284120 365278650 /nfs/dbraw/zinc/27/86/50/365278650.db2.gz AJMGSBUVENVWAE-IEBDPFPHSA-N 1 2 236.319 1.285 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000575284120 365278653 /nfs/dbraw/zinc/27/86/53/365278653.db2.gz AJMGSBUVENVWAE-IEBDPFPHSA-N 1 2 236.319 1.285 20 0 BDADLO CO[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000575429016 365317813 /nfs/dbraw/zinc/31/78/13/365317813.db2.gz GYANBFHBFHTFDB-VXNVDRBHSA-N 1 2 223.276 1.012 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1NCCF ZINC000575430347 365319736 /nfs/dbraw/zinc/31/97/36/365319736.db2.gz YXNXSBNFWXSFII-UHFFFAOYSA-N 1 2 225.267 1.474 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OC ZINC000336725253 365364521 /nfs/dbraw/zinc/36/45/21/365364521.db2.gz GAKRDPDGDFCZFB-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1[nH+]c[nH]c1[C@@H]1Nc2ccccc2C(=O)N1C ZINC000172853453 365384481 /nfs/dbraw/zinc/38/44/81/365384481.db2.gz VTYOAYZOEOQPOF-GFCCVEGCSA-N 1 2 242.282 1.914 20 0 BDADLO c1c(COc2cc[nH+]cc2)nnn1CC1CC1 ZINC000576015403 365449686 /nfs/dbraw/zinc/44/96/86/365449686.db2.gz LGNBJOWRMVTQGK-UHFFFAOYSA-N 1 2 230.271 1.662 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000579598180 366899644 /nfs/dbraw/zinc/89/96/44/366899644.db2.gz UJEJOWXFWPVTGC-JTQLQIEISA-N 1 2 239.344 1.457 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000579598180 366899648 /nfs/dbraw/zinc/89/96/48/366899648.db2.gz UJEJOWXFWPVTGC-JTQLQIEISA-N 1 2 239.344 1.457 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1CCCO1)n1cc[nH+]c1 ZINC000579598128 366900312 /nfs/dbraw/zinc/90/03/12/366900312.db2.gz ROXJLUYNFCZNNE-QWRGUYRKSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@@H](NC(=O)c1ocnc1C1CC1)c1[nH]cc[nH+]1 ZINC000576121483 365494150 /nfs/dbraw/zinc/49/41/50/365494150.db2.gz CVEVNXSOWRUCBY-SSDOTTSWSA-N 1 2 246.270 1.766 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ncc[nH]1 ZINC000353643891 541484712 /nfs/dbraw/zinc/48/47/12/541484712.db2.gz LFPSYHHMVKJYQS-CABZTGNLSA-N 1 2 249.289 1.933 20 0 BDADLO C[C@H]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000357230215 541488564 /nfs/dbraw/zinc/48/85/64/541488564.db2.gz YTPSSUFILQHTDJ-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000357230215 541488566 /nfs/dbraw/zinc/48/85/66/541488566.db2.gz YTPSSUFILQHTDJ-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000183033170 366968341 /nfs/dbraw/zinc/96/83/41/366968341.db2.gz ZGOPJCJAXBSTAD-UWVGGRQHSA-N 1 2 248.330 1.547 20 0 BDADLO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000183033130 366968491 /nfs/dbraw/zinc/96/84/91/366968491.db2.gz ZGOPJCJAXBSTAD-VHSXEESVSA-N 1 2 248.330 1.547 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccoc1 ZINC000579731478 366997206 /nfs/dbraw/zinc/99/72/06/366997206.db2.gz ZYAUOZJTHLURLW-JTQLQIEISA-N 1 2 247.298 1.840 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccoc1 ZINC000579731478 366997213 /nfs/dbraw/zinc/99/72/13/366997213.db2.gz ZYAUOZJTHLURLW-JTQLQIEISA-N 1 2 247.298 1.840 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000579848357 367048826 /nfs/dbraw/zinc/04/88/26/367048826.db2.gz YZEUMXPYQPCPRI-MRVPVSSYSA-N 1 2 239.344 1.657 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2ncccc2O)n1 ZINC000580006383 367121692 /nfs/dbraw/zinc/12/16/92/367121692.db2.gz XKQHJUGEEZJEAR-UHFFFAOYSA-N 1 2 248.286 1.504 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1cnoc1C ZINC000185187358 367125561 /nfs/dbraw/zinc/12/55/61/367125561.db2.gz SDBAVQZUYWWDSX-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1cnoc1C ZINC000185187358 367125562 /nfs/dbraw/zinc/12/55/62/367125562.db2.gz SDBAVQZUYWWDSX-UHFFFAOYSA-N 1 2 225.292 1.070 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000622308063 370835864 /nfs/dbraw/zinc/83/58/64/370835864.db2.gz UOBIGJPAKDWDBN-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CCC[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000622308063 370835868 /nfs/dbraw/zinc/83/58/68/370835868.db2.gz UOBIGJPAKDWDBN-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(F)F ZINC000580837612 367184246 /nfs/dbraw/zinc/18/42/46/367184246.db2.gz XFCBNQWWRLHCGB-DTWKUNHWSA-N 1 2 245.273 1.994 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC1(F)F ZINC000622284199 370822497 /nfs/dbraw/zinc/82/24/97/370822497.db2.gz SLQAJNNWVSWAHB-ZETCQYMHSA-N 1 2 229.230 1.034 20 0 BDADLO C[C@@H](CC(=O)N1CC(CF)C1)n1cc[nH+]c1 ZINC000580778414 367164080 /nfs/dbraw/zinc/16/40/80/367164080.db2.gz JUKVZSVEUADHBC-VIFPVBQESA-N 1 2 225.267 1.262 20 0 BDADLO CO[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C(C)C ZINC000580961652 367219660 /nfs/dbraw/zinc/21/96/60/367219660.db2.gz YUCBDKFHFSMLDW-NSHDSACASA-N 1 2 242.363 1.115 20 0 BDADLO CC(=O)Nc1cnn(Cc2ccc(C)[nH+]c2C)c1 ZINC000580963164 367221143 /nfs/dbraw/zinc/22/11/43/367221143.db2.gz ONSBSXLRNJIZQG-UHFFFAOYSA-N 1 2 244.298 1.902 20 0 BDADLO CCCn1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000581160562 367279678 /nfs/dbraw/zinc/27/96/78/367279678.db2.gz LXKWHILAHGJAQJ-SECBINFHSA-N 1 2 247.302 1.507 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000581173834 367282658 /nfs/dbraw/zinc/28/26/58/367282658.db2.gz GEEGOUYUDNVWGJ-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000581064143 367249567 /nfs/dbraw/zinc/24/95/67/367249567.db2.gz CFZIVAUVPBFDMT-ONGXEEELSA-N 1 2 234.303 1.207 20 0 BDADLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000581080763 367256750 /nfs/dbraw/zinc/25/67/50/367256750.db2.gz UNIXNLPVHSZWEH-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000581080763 367256757 /nfs/dbraw/zinc/25/67/57/367256757.db2.gz UNIXNLPVHSZWEH-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)CO1 ZINC000581188240 367288280 /nfs/dbraw/zinc/28/82/80/367288280.db2.gz LTDBWOGWCBUDNB-VHSXEESVSA-N 1 2 229.283 1.641 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C)[C@@H]1C ZINC000380743510 367295117 /nfs/dbraw/zinc/29/51/17/367295117.db2.gz CMTVTPHXIYNEIP-YUMQZZPRSA-N 1 2 222.292 1.302 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C)[C@@H]1C ZINC000380743510 367295122 /nfs/dbraw/zinc/29/51/22/367295122.db2.gz CMTVTPHXIYNEIP-YUMQZZPRSA-N 1 2 222.292 1.302 20 0 BDADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccnn1C ZINC000381975387 367475750 /nfs/dbraw/zinc/47/57/50/367475750.db2.gz ABXOSNBCPZIORG-SSDOTTSWSA-N 1 2 203.236 1.726 20 0 BDADLO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccn[nH]1 ZINC000383017394 367585296 /nfs/dbraw/zinc/58/52/96/367585296.db2.gz OOPSBMLKNSZJSL-GFCCVEGCSA-N 1 2 233.319 1.421 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000581587906 367615494 /nfs/dbraw/zinc/61/54/94/367615494.db2.gz IQVJXJGHCCLERZ-SKDRFNHKSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@](C)(F)C2)n1 ZINC000581587906 367615498 /nfs/dbraw/zinc/61/54/98/367615498.db2.gz IQVJXJGHCCLERZ-SKDRFNHKSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000581587903 367615548 /nfs/dbraw/zinc/61/55/48/367615548.db2.gz IQVJXJGHCCLERZ-BXKDBHETSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@](C)(F)C2)n1 ZINC000581587903 367615552 /nfs/dbraw/zinc/61/55/52/367615552.db2.gz IQVJXJGHCCLERZ-BXKDBHETSA-N 1 2 239.294 1.986 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000384329923 367685449 /nfs/dbraw/zinc/68/54/49/367685449.db2.gz UCLATSHBPAMHAD-YWVKMMECSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)C(=O)OC(C)(C)C ZINC000384762938 367728885 /nfs/dbraw/zinc/72/88/85/367728885.db2.gz OGVZNVBIFHGYHY-RCWTZXSCSA-N 1 2 243.347 1.872 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C(C)(C)CC ZINC000622380375 370878661 /nfs/dbraw/zinc/87/86/61/370878661.db2.gz GZBGFDTXNKUFPM-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C(C)(C)CC ZINC000622380375 370878665 /nfs/dbraw/zinc/87/86/65/370878665.db2.gz GZBGFDTXNKUFPM-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCC(C)(C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622380267 370878784 /nfs/dbraw/zinc/87/87/84/370878784.db2.gz CWNWKXSWSNQUII-UHFFFAOYSA-N 1 2 223.320 1.989 20 0 BDADLO O=C(c1ccsn1)N1CC(n2cc[nH+]c2)C1 ZINC000622372064 370876564 /nfs/dbraw/zinc/87/65/64/370876564.db2.gz CNGXZNJFGDTAPV-UHFFFAOYSA-N 1 2 234.284 1.037 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1ccncc1 ZINC000630922596 367958848 /nfs/dbraw/zinc/95/88/48/367958848.db2.gz PEPWRYFHMCOXJM-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCn2cc[nH+]c2)n1 ZINC000581951986 368018765 /nfs/dbraw/zinc/01/87/65/368018765.db2.gz VDZCDIXTUIHXOY-VIFPVBQESA-N 1 2 235.291 1.268 20 0 BDADLO Cc1noc([C@H](C)N(C)CCn2cc[nH+]c2)n1 ZINC000581951986 368018775 /nfs/dbraw/zinc/01/87/75/368018775.db2.gz VDZCDIXTUIHXOY-VIFPVBQESA-N 1 2 235.291 1.268 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(CF)CCC2)c1 ZINC000582004588 368127745 /nfs/dbraw/zinc/12/77/45/368127745.db2.gz WDPBEOQAKCZBEZ-UHFFFAOYSA-N 1 2 239.294 1.219 20 0 BDADLO CC[C@]1(C)CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000399404554 368163793 /nfs/dbraw/zinc/16/37/93/368163793.db2.gz PBZANXCDBATVLE-LLVKDONJSA-N 1 2 221.308 1.219 20 0 BDADLO CC[C@]1(C)CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000399404554 368163802 /nfs/dbraw/zinc/16/38/02/368163802.db2.gz PBZANXCDBATVLE-LLVKDONJSA-N 1 2 221.308 1.219 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615732843 368228560 /nfs/dbraw/zinc/22/85/60/368228560.db2.gz FAJUYOKDCRTBBW-WQMVXFAESA-N 1 2 233.315 1.606 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](F)C1 ZINC000615746923 368235525 /nfs/dbraw/zinc/23/55/25/368235525.db2.gz IWJUPJYWQLXBTH-OPRDCNLKSA-N 1 2 237.278 1.094 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](F)C1 ZINC000615747908 368239918 /nfs/dbraw/zinc/23/99/18/368239918.db2.gz ZGLXRWLWJKJIPZ-RKDXNWHRSA-N 1 2 237.278 1.085 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](F)C1 ZINC000615747908 368239922 /nfs/dbraw/zinc/23/99/22/368239922.db2.gz ZGLXRWLWJKJIPZ-RKDXNWHRSA-N 1 2 237.278 1.085 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615677638 368220295 /nfs/dbraw/zinc/22/02/95/368220295.db2.gz SXRQCCXANPFXJD-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615677638 368220298 /nfs/dbraw/zinc/22/02/98/368220298.db2.gz SXRQCCXANPFXJD-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO Cc1nc(N(C)C[C@H](C)C(C)(C)C)nc(N)[nH+]1 ZINC000399618138 368347124 /nfs/dbraw/zinc/34/71/24/368347124.db2.gz KKPAQTOINJWMAG-QMMMGPOBSA-N 1 2 237.351 1.711 20 0 BDADLO Cc1nc(N)nc(N(C)C[C@H](C)C(C)(C)C)[nH+]1 ZINC000399618138 368347130 /nfs/dbraw/zinc/34/71/30/368347130.db2.gz KKPAQTOINJWMAG-QMMMGPOBSA-N 1 2 237.351 1.711 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)NC1CCC1 ZINC000454461092 202817902 /nfs/dbraw/zinc/81/79/02/202817902.db2.gz LIUWCOCMBLWMHH-VIFPVBQESA-N 1 2 236.319 1.816 20 0 BDADLO CC(C)N(C(=O)C[N@@H+]1CCOC[C@H]1C)C(C)C ZINC000046774163 368449775 /nfs/dbraw/zinc/44/97/75/368449775.db2.gz YFLBWAWDZCEQEF-GFCCVEGCSA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C(=O)C[N@H+]1CCOC[C@H]1C)C(C)C ZINC000046774163 368449782 /nfs/dbraw/zinc/44/97/82/368449782.db2.gz YFLBWAWDZCEQEF-GFCCVEGCSA-N 1 2 242.363 1.353 20 0 BDADLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCC1 ZINC000045426913 368427176 /nfs/dbraw/zinc/42/71/76/368427176.db2.gz ZWCOARGQZAMGMY-UHFFFAOYSA-N 1 2 244.298 1.292 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000045785329 368432188 /nfs/dbraw/zinc/43/21/88/368432188.db2.gz IVXIMRGRYKKNLT-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000045785329 368432191 /nfs/dbraw/zinc/43/21/91/368432191.db2.gz IVXIMRGRYKKNLT-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCNC(=O)C1 ZINC000046037737 368435243 /nfs/dbraw/zinc/43/52/43/368435243.db2.gz XGJUNVHAVSLHIA-NWDGAFQWSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1CCCC[C@H]1OCC[N@H+]1CCNC(=O)C1 ZINC000046037737 368435244 /nfs/dbraw/zinc/43/52/44/368435244.db2.gz XGJUNVHAVSLHIA-NWDGAFQWSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047500231 368463601 /nfs/dbraw/zinc/46/36/01/368463601.db2.gz USDFRTHAMXWWLJ-QWRGUYRKSA-N 1 2 248.330 1.449 20 0 BDADLO CC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057756169 368498798 /nfs/dbraw/zinc/49/87/98/368498798.db2.gz LTOOKSPDCKRNIK-UHFFFAOYSA-N 1 2 235.209 1.424 20 0 BDADLO C[C@@H](c1cccnc1)[NH+]1CCN(C2CC2)CC1 ZINC000067411986 368686518 /nfs/dbraw/zinc/68/65/18/368686518.db2.gz DWSZJEMLJPEYAR-LBPRGKRZSA-N 1 2 231.343 1.923 20 0 BDADLO COCCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068570500 368730608 /nfs/dbraw/zinc/73/06/08/368730608.db2.gz HUPYHAFRARSKMI-UHFFFAOYSA-N 1 2 247.298 1.295 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000073331145 368800710 /nfs/dbraw/zinc/80/07/10/368800710.db2.gz CRYDIUFTUCBZOL-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000083601456 368794057 /nfs/dbraw/zinc/79/40/57/368794057.db2.gz OWOQHFBAXARTQH-NEPJUHHUSA-N 1 2 241.294 1.830 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ncc[nH]1 ZINC000615961422 368796623 /nfs/dbraw/zinc/79/66/23/368796623.db2.gz RLFBTWSNENKADU-QMMMGPOBSA-N 1 2 233.275 1.117 20 0 BDADLO CCn1c[nH+]cc1CNc1cnn(C)c1 ZINC000085183143 368863277 /nfs/dbraw/zinc/86/32/77/368863277.db2.gz REXLRMHAJIGJDM-UHFFFAOYSA-N 1 2 205.265 1.249 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccn(C)n2)cn1 ZINC000112340297 368870758 /nfs/dbraw/zinc/87/07/58/368870758.db2.gz PMRIFVIURFSELK-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)sn1 ZINC000616009997 368874430 /nfs/dbraw/zinc/87/44/30/368874430.db2.gz JGAMMYWCHLBFHS-RFAUZJTJSA-N 1 2 246.401 1.650 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)sn1 ZINC000616009997 368874433 /nfs/dbraw/zinc/87/44/33/368874433.db2.gz JGAMMYWCHLBFHS-RFAUZJTJSA-N 1 2 246.401 1.650 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nncn1C ZINC000111239009 368852943 /nfs/dbraw/zinc/85/29/43/368852943.db2.gz PENDMXZXFBECPE-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nncn1C ZINC000111239009 368852947 /nfs/dbraw/zinc/85/29/47/368852947.db2.gz PENDMXZXFBECPE-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000457524263 203072028 /nfs/dbraw/zinc/07/20/28/203072028.db2.gz LHZOTFPCMATGNK-SECBINFHSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457853256 203111443 /nfs/dbraw/zinc/11/14/43/203111443.db2.gz JBTIDDZQAJZISN-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000457863804 203113952 /nfs/dbraw/zinc/11/39/52/203113952.db2.gz TXAXGCQKWVZZIJ-LBPRGKRZSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cscc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457870388 203115842 /nfs/dbraw/zinc/11/58/42/203115842.db2.gz ZTYDGAMSOYCNGE-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO Cc1sccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457878902 203117388 /nfs/dbraw/zinc/11/73/88/203117388.db2.gz WXXMUGWOOUOACX-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC2CCCC2)c1 ZINC000457887522 203119169 /nfs/dbraw/zinc/11/91/69/203119169.db2.gz RZTBPQQDOLHCEG-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@@]2(C)CC2(F)F)c[nH+]1 ZINC000618627793 369189607 /nfs/dbraw/zinc/18/96/07/369189607.db2.gz IQHQJYQPNQRXCN-JTQLQIEISA-N 1 2 243.257 1.883 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000459483651 203290222 /nfs/dbraw/zinc/29/02/22/203290222.db2.gz GCRHPQRKBPKJMM-YUMQZZPRSA-N 1 2 239.275 1.087 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000459483651 203290225 /nfs/dbraw/zinc/29/02/25/203290225.db2.gz GCRHPQRKBPKJMM-YUMQZZPRSA-N 1 2 239.275 1.087 20 0 BDADLO COCCOC1C[NH+](Cc2cccc(C)c2)C1 ZINC000459455423 203284312 /nfs/dbraw/zinc/28/43/12/203284312.db2.gz CUGJNTOWRXIZQH-UHFFFAOYSA-N 1 2 235.327 1.842 20 0 BDADLO COC1C[NH+](Cc2cn(C(C)C)nc2C)C1 ZINC000459581719 203307698 /nfs/dbraw/zinc/30/76/98/203307698.db2.gz MPEKOCCAONLIOE-UHFFFAOYSA-N 1 2 223.320 1.603 20 0 BDADLO COCCCOC1C[NH+](Cc2ccsc2)C1 ZINC000459590040 203309993 /nfs/dbraw/zinc/30/99/93/203309993.db2.gz ITCNZSVGGLEOIL-UHFFFAOYSA-N 1 2 241.356 1.985 20 0 BDADLO CCOC1CN(Cc2c[nH+]c3cc(C)ccn23)C1 ZINC000459602559 203313508 /nfs/dbraw/zinc/31/35/08/203313508.db2.gz FDMCEBSFVZZPQE-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CCCCC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459553489 203297934 /nfs/dbraw/zinc/29/79/34/203297934.db2.gz BMVFXZBZWABBJE-LBPRGKRZSA-N 1 2 231.336 1.734 20 0 BDADLO CC[C@@](COC)([NH2+]CCCCF)C(=O)OC ZINC000459566957 203303726 /nfs/dbraw/zinc/30/37/26/203303726.db2.gz ZNBLEGHWWJXGQB-NSHDSACASA-N 1 2 235.299 1.294 20 0 BDADLO CCOC1CN(Cc2c(C)[nH+]c3ccccn32)C1 ZINC000459613843 203315646 /nfs/dbraw/zinc/31/56/46/203315646.db2.gz WFNJOHJPKJDPPW-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CCOC1C[NH+](Cc2c(C)nc3ccccn32)C1 ZINC000459613843 203315650 /nfs/dbraw/zinc/31/56/50/203315650.db2.gz WFNJOHJPKJDPPW-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CNC(=O)NC1C[NH+](C/C=C\c2ccccc2)C1 ZINC000459615083 203316901 /nfs/dbraw/zinc/31/69/01/203316901.db2.gz VQEFRGRFWGPITO-YVMONPNESA-N 1 2 245.326 1.313 20 0 BDADLO CCOC1(C)C[NH+](Cc2nc(C)ccc2O)C1 ZINC000459620582 203317797 /nfs/dbraw/zinc/31/77/97/203317797.db2.gz LYNBTTWBGUOSTP-UHFFFAOYSA-N 1 2 236.315 1.706 20 0 BDADLO CCOC(=O)[C@@H](CC)N(C)Cc1c[nH+]c[nH]1 ZINC000619511082 369453156 /nfs/dbraw/zinc/45/31/56/369453156.db2.gz CXJUUVQUWMFHRE-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(=O)[C@@H](CC)N(C)Cc1c[nH]c[nH+]1 ZINC000619511082 369453162 /nfs/dbraw/zinc/45/31/62/369453162.db2.gz CXJUUVQUWMFHRE-SNVBAGLBSA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@H](CO)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631032136 370970182 /nfs/dbraw/zinc/97/01/82/370970182.db2.gz VQDCQBMVUSDYFZ-SECBINFHSA-N 1 2 246.314 1.440 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000459767382 203360934 /nfs/dbraw/zinc/36/09/34/203360934.db2.gz FJJATKRAGDVAMO-BBBLOLIVSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000459770764 203362734 /nfs/dbraw/zinc/36/27/34/203362734.db2.gz IIIDLYLURVWFAZ-MXWKQRLJSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)C)c1[nH+]ccn1C ZINC000082277386 370978735 /nfs/dbraw/zinc/97/87/35/370978735.db2.gz FRSSFRABWJCYOV-MRVPVSSYSA-N 1 2 209.293 1.643 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC1(C)C ZINC000620076211 369710686 /nfs/dbraw/zinc/71/06/86/369710686.db2.gz MDOZBZILTXFELA-ZDUSSCGKSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC1(C)C ZINC000620086427 369726554 /nfs/dbraw/zinc/72/65/54/369726554.db2.gz ARNUPYHDOXCUAP-ZANVPECISA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC1(C)C ZINC000620086427 369726558 /nfs/dbraw/zinc/72/65/58/369726558.db2.gz ARNUPYHDOXCUAP-ZANVPECISA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000620411803 369867446 /nfs/dbraw/zinc/86/74/46/369867446.db2.gz LBKYSQYBHXWLFL-JTQLQIEISA-N 1 2 209.293 1.578 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000620597536 369949265 /nfs/dbraw/zinc/94/92/65/369949265.db2.gz WXOLAZORXHYTHE-ZJUUUORDSA-N 1 2 237.303 1.166 20 0 BDADLO CC[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597813 369949496 /nfs/dbraw/zinc/94/94/96/369949496.db2.gz RQZSHOBCHDROFW-DTWKUNHWSA-N 1 2 209.293 1.643 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H](C)c2[nH+]ccn2C)o1 ZINC000620600794 369950430 /nfs/dbraw/zinc/95/04/30/369950430.db2.gz QPKBGVMJKBKNJC-MRVPVSSYSA-N 1 2 248.286 1.516 20 0 BDADLO C[C@H](NC(=O)[C@@]1(C)CCOC1)c1[nH+]ccn1C ZINC000620603378 369950516 /nfs/dbraw/zinc/95/05/16/369950516.db2.gz HDRGLALGIIBVSI-CABZTGNLSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000620603159 369950561 /nfs/dbraw/zinc/95/05/61/369950561.db2.gz ICXCVOSFLOZWPD-BDAKNGLRSA-N 1 2 221.304 1.643 20 0 BDADLO CC(C)[C@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604201 369951378 /nfs/dbraw/zinc/95/13/78/369951378.db2.gz PNSYCPJXVNWDAW-CABZTGNLSA-N 1 2 239.319 1.004 20 0 BDADLO CC(C)[C@@](C)(O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604202 369951670 /nfs/dbraw/zinc/95/16/70/369951670.db2.gz PNSYCPJXVNWDAW-JOYOIKCWSA-N 1 2 239.319 1.004 20 0 BDADLO C[C@H](NC(=O)c1ncccc1O)c1[nH+]ccn1C ZINC000620604150 369951952 /nfs/dbraw/zinc/95/19/52/369951952.db2.gz PDIGOIWMJRUCLV-QMMMGPOBSA-N 1 2 246.270 1.012 20 0 BDADLO CCC[C@@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604624 369952862 /nfs/dbraw/zinc/95/28/62/369952862.db2.gz VYSIQPZGECJDLA-BXKDBHETSA-N 1 2 239.319 1.148 20 0 BDADLO CC(C)[C@@](C)(O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604200 369952955 /nfs/dbraw/zinc/95/29/55/369952955.db2.gz PNSYCPJXVNWDAW-BXKDBHETSA-N 1 2 239.319 1.004 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605246 369953177 /nfs/dbraw/zinc/95/31/77/369953177.db2.gz ZHSOHAVBYGDJSQ-ZJUUUORDSA-N 1 2 239.319 1.412 20 0 BDADLO Cc1ccn(C)c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605660 369954059 /nfs/dbraw/zinc/95/40/59/369954059.db2.gz IDDCXLLHZBASGB-SNVBAGLBSA-N 1 2 246.314 1.558 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC12CC2)c1[nH+]ccn1C ZINC000620610169 369957075 /nfs/dbraw/zinc/95/70/75/369957075.db2.gz FOLVYLLDLWWMCD-RKDXNWHRSA-N 1 2 219.288 1.397 20 0 BDADLO COCCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620649206 369972446 /nfs/dbraw/zinc/97/24/46/369972446.db2.gz XMPQOMQESSTYEG-UHFFFAOYSA-N 1 2 233.271 1.618 20 0 BDADLO Cc1noc(C)c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620592583 369945287 /nfs/dbraw/zinc/94/52/87/369945287.db2.gz OMUKBYMZGHWIRM-MRVPVSSYSA-N 1 2 248.286 1.516 20 0 BDADLO C[C@H](NC(=O)Cc1ccsc1)c1[nH+]ccn1C ZINC000620592235 369945340 /nfs/dbraw/zinc/94/53/40/369945340.db2.gz NREQVUMLXLEXMX-VIFPVBQESA-N 1 2 249.339 1.902 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)on1 ZINC000620594691 369946175 /nfs/dbraw/zinc/94/61/75/369946175.db2.gz BASWZJNXGBDQEO-QMMMGPOBSA-N 1 2 234.259 1.208 20 0 BDADLO Cc1ccoc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594946 369947320 /nfs/dbraw/zinc/94/73/20/369947320.db2.gz CYEBRWKMJPEYES-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cccn1)c1[nH+]ccn1C ZINC000620596639 369947631 /nfs/dbraw/zinc/94/76/31/369947631.db2.gz QEZUSBZIKGYOQN-UWVGGRQHSA-N 1 2 247.302 1.055 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)CCc1c[nH+]cn1C ZINC000621045320 370080181 /nfs/dbraw/zinc/08/01/81/370080181.db2.gz XBIHSBPLYNCJTM-NSHDSACASA-N 1 2 249.358 1.857 20 0 BDADLO Cc1cc(NCC[C@@H]2CC2(F)F)nc[nH+]1 ZINC000621345780 370279995 /nfs/dbraw/zinc/27/99/95/370279995.db2.gz WNMSQRSRQJIZQX-MRVPVSSYSA-N 1 2 213.231 1.664 20 0 BDADLO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccn(C)n1 ZINC000112340753 370285639 /nfs/dbraw/zinc/28/56/39/370285639.db2.gz YGWUTUFWMCYHDN-LBPRGKRZSA-N 1 2 236.363 1.384 20 0 BDADLO O=C(NCCCC1CC1)NCCn1cc[nH+]c1 ZINC000077536463 370429098 /nfs/dbraw/zinc/42/90/98/370429098.db2.gz JRKFXBFFAPWKAL-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO CCc1cc(N[C@@H](CC)CCO)nc[nH+]1 ZINC000077232331 370402527 /nfs/dbraw/zinc/40/25/27/370402527.db2.gz MLPDRWFYDFDRCF-VIFPVBQESA-N 1 2 209.293 1.612 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000094687819 370446192 /nfs/dbraw/zinc/44/61/92/370446192.db2.gz MWRCFOSIFOUCOB-GFCCVEGCSA-N 1 2 235.283 1.530 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000094687819 370446195 /nfs/dbraw/zinc/44/61/95/370446195.db2.gz MWRCFOSIFOUCOB-GFCCVEGCSA-N 1 2 235.283 1.530 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1nccnc1C ZINC000621712997 370459295 /nfs/dbraw/zinc/45/92/95/370459295.db2.gz XEJJVHKLDUOOPI-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1nccnc1C ZINC000621712997 370459296 /nfs/dbraw/zinc/45/92/96/370459296.db2.gz XEJJVHKLDUOOPI-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC(C)(C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621718746 370467845 /nfs/dbraw/zinc/46/78/45/370467845.db2.gz RQEZQNJHCHVYQT-UHFFFAOYSA-N 1 2 223.320 1.850 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1nccnc1C ZINC000621722654 370473251 /nfs/dbraw/zinc/47/32/51/370473251.db2.gz DQAWWKHIFWAHLA-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1nccnc1C ZINC000621722654 370473253 /nfs/dbraw/zinc/47/32/53/370473253.db2.gz DQAWWKHIFWAHLA-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CCOc1cncc(C[NH+]2CC(C)(CO)C2)c1 ZINC000621731334 370483873 /nfs/dbraw/zinc/48/38/73/370483873.db2.gz JXLMEEFAILLATN-UHFFFAOYSA-N 1 2 236.315 1.295 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccnc2C)[C@H](C)CO1 ZINC000621732249 370485593 /nfs/dbraw/zinc/48/55/93/370485593.db2.gz UMPGCNSZKPVLGJ-PWSUYJOCSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccnc2C)[C@H](C)CO1 ZINC000621732249 370485597 /nfs/dbraw/zinc/48/55/97/370485597.db2.gz UMPGCNSZKPVLGJ-PWSUYJOCSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccsc1 ZINC000078037930 370519033 /nfs/dbraw/zinc/51/90/33/370519033.db2.gz VFFKMIVLEUREOZ-SNVBAGLBSA-N 1 2 249.339 1.865 20 0 BDADLO C[C@H](CC(=O)N[C@@H](C)C[C@H](C)O)n1cc[nH+]c1 ZINC000568519284 326362244 /nfs/dbraw/zinc/36/22/44/326362244.db2.gz DFZCDHRFHVNLFE-AXFHLTTASA-N 1 2 239.319 1.110 20 0 BDADLO O[C@@H]1CCCC[C@H]1C[N@@H+]1CCC(F)(F)C1 ZINC000313250617 370574336 /nfs/dbraw/zinc/57/43/36/370574336.db2.gz JZKHTMPEUFMXKD-VHSXEESVSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1CCCC[C@H]1C[N@H+]1CCC(F)(F)C1 ZINC000313250617 370574340 /nfs/dbraw/zinc/57/43/40/370574340.db2.gz JZKHTMPEUFMXKD-VHSXEESVSA-N 1 2 219.275 1.879 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621900727 370590413 /nfs/dbraw/zinc/59/04/13/370590413.db2.gz FYYYZIBATBXJEQ-VHSXEESVSA-N 1 2 235.331 1.944 20 0 BDADLO CC(C)OCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621952863 370617935 /nfs/dbraw/zinc/61/79/35/370617935.db2.gz UBSCSLFWGUQLNX-UHFFFAOYSA-N 1 2 239.319 1.229 20 0 BDADLO CC[C@@H](NC(=O)c1[nH]c(C)nc1C)c1[nH]cc[nH+]1 ZINC000621956239 370619918 /nfs/dbraw/zinc/61/99/18/370619918.db2.gz DEHPBTFFKRKDOY-SECBINFHSA-N 1 2 247.302 1.631 20 0 BDADLO Cc1cc(C)c(CNC(=O)Cc2ccon2)c[nH+]1 ZINC000622667585 371047066 /nfs/dbraw/zinc/04/70/66/371047066.db2.gz LYECHRQZCAWPSD-UHFFFAOYSA-N 1 2 245.282 1.545 20 0 BDADLO CCc1ncc(CNC(=O)CCn2cc[nH+]c2)o1 ZINC000622655525 371041625 /nfs/dbraw/zinc/04/16/25/371041625.db2.gz RBRIQTSHPMCFRA-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO CSC[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568924302 326382486 /nfs/dbraw/zinc/38/24/86/326382486.db2.gz MJXOFFIDTNBEQY-NSHDSACASA-N 1 2 241.360 1.041 20 0 BDADLO C[C@H]1CC(C)(C)CN1C(=O)Cc1c[nH+]cn1C ZINC000568969643 326383893 /nfs/dbraw/zinc/38/38/93/326383893.db2.gz SKZFXMLSWWVIDD-JTQLQIEISA-N 1 2 235.331 1.610 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000569061792 326388172 /nfs/dbraw/zinc/38/81/72/326388172.db2.gz VUMOVZQEDRPQSD-VHSXEESVSA-N 1 2 225.292 1.368 20 0 BDADLO CCc1cc(NC[C@](C)(O)C(C)C)nc[nH+]1 ZINC000390223253 371190862 /nfs/dbraw/zinc/19/08/62/371190862.db2.gz ZYGKUYMJEBLBQM-LBPRGKRZSA-N 1 2 223.320 1.280 20 0 BDADLO c1nc(CNc2cc[nH+]c(C3CC3)n2)co1 ZINC000390379086 371197156 /nfs/dbraw/zinc/19/71/56/371197156.db2.gz YUJAIZRTVYEWCL-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO Cc1cccc(C)c1C[NH+]1CCS(=O)CC1 ZINC000154852464 371179330 /nfs/dbraw/zinc/17/93/30/371179330.db2.gz MCQRLCQOINVHCB-UHFFFAOYSA-N 1 2 237.368 1.868 20 0 BDADLO COc1ccc[nH+]c1NC[C@@]1(O)CCSC1 ZINC000624016856 371251245 /nfs/dbraw/zinc/25/12/45/371251245.db2.gz ILMJVVSXIOPNFD-NSHDSACASA-N 1 2 240.328 1.370 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[C@H]1C)CC2 ZINC000624108840 371313174 /nfs/dbraw/zinc/31/31/74/371313174.db2.gz GSWOSUNNYWUPEO-JLLWLGSASA-N 1 2 247.342 1.526 20 0 BDADLO FCCn1cc(N[C@H]2CCCn3cc[nH+]c32)cn1 ZINC000624127493 371328297 /nfs/dbraw/zinc/32/82/97/371328297.db2.gz JBKCPTIESIIFHC-NSHDSACASA-N 1 2 249.293 1.996 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H]2COC[C@@]2(C)C1 ZINC000624399621 371499850 /nfs/dbraw/zinc/49/98/50/371499850.db2.gz QTGBIMOKZPRNCX-ZWNOBZJWSA-N 1 2 234.299 1.563 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H]2COC[C@@]2(C)C1 ZINC000624399619 371500798 /nfs/dbraw/zinc/50/07/98/371500798.db2.gz QTGBIMOKZPRNCX-GXFFZTMASA-N 1 2 234.299 1.563 20 0 BDADLO COc1ccc[nH+]c1N1CCC2(COC2)C1 ZINC000624409922 371501483 /nfs/dbraw/zinc/50/14/83/371501483.db2.gz YOKUBSDCFHSWJO-UHFFFAOYSA-N 1 2 220.272 1.317 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)C)CC2 ZINC000624564060 371542927 /nfs/dbraw/zinc/54/29/27/371542927.db2.gz OGEUTTDNHKTDHQ-LLVKDONJSA-N 1 2 249.358 1.916 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1C ZINC000131532130 371615744 /nfs/dbraw/zinc/61/57/44/371615744.db2.gz RCPWNDDJLXABDI-MNOVXSKESA-N 1 2 235.331 1.811 20 0 BDADLO CC(C)C[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370291 371587790 /nfs/dbraw/zinc/58/77/90/371587790.db2.gz UTDKPJOHFSQGIC-JTQLQIEISA-N 1 2 235.331 1.977 20 0 BDADLO CC(C)C[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370291 371587793 /nfs/dbraw/zinc/58/77/93/371587793.db2.gz UTDKPJOHFSQGIC-JTQLQIEISA-N 1 2 235.331 1.977 20 0 BDADLO Cc1c(C(=O)N2CCc3[nH]c[nH+]c3C2)ccn1C ZINC000627371362 371589800 /nfs/dbraw/zinc/58/98/00/371589800.db2.gz CJDRLTOUOPLWOG-UHFFFAOYSA-N 1 2 244.298 1.255 20 0 BDADLO Cc1c(C(=O)N2CCc3[nH+]c[nH]c3C2)ccn1C ZINC000627371362 371589806 /nfs/dbraw/zinc/58/98/06/371589806.db2.gz CJDRLTOUOPLWOG-UHFFFAOYSA-N 1 2 244.298 1.255 20 0 BDADLO C[C@@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1(F)F ZINC000627373500 371592561 /nfs/dbraw/zinc/59/25/61/371592561.db2.gz TWGXLGRUKMOOQI-JTQLQIEISA-N 1 2 241.241 1.340 20 0 BDADLO C[C@@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1(F)F ZINC000627373500 371592566 /nfs/dbraw/zinc/59/25/66/371592566.db2.gz TWGXLGRUKMOOQI-JTQLQIEISA-N 1 2 241.241 1.340 20 0 BDADLO CCO[C@H](C(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000627393860 371600107 /nfs/dbraw/zinc/60/01/07/371600107.db2.gz NMWNKYIJQCFDOC-LBPRGKRZSA-N 1 2 249.314 1.040 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)[C@H](C)CO ZINC000167222880 326439029 /nfs/dbraw/zinc/43/90/29/326439029.db2.gz IOKBVOYAWXGJGQ-BDAKNGLRSA-N 1 2 210.277 1.519 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@@H](CO)SC ZINC000228320169 372015982 /nfs/dbraw/zinc/01/59/82/372015982.db2.gz XQSJLZFELFZMAK-PSASIEDQSA-N 1 2 242.344 1.615 20 0 BDADLO Cc1n[nH]cc1CN(C)c1cc(C)[nH+]cn1 ZINC000631323481 372296183 /nfs/dbraw/zinc/29/61/83/372296183.db2.gz JDIYAICAEIOJTI-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]2CC(C)(C)C)nc(N)[nH+]1 ZINC000631330633 372298040 /nfs/dbraw/zinc/29/80/40/372298040.db2.gz UPVIZMBCRMRADT-DTWKUNHWSA-N 1 2 235.335 1.829 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@H]2CC(C)(C)C)[nH+]1 ZINC000631330633 372298044 /nfs/dbraw/zinc/29/80/44/372298044.db2.gz UPVIZMBCRMRADT-DTWKUNHWSA-N 1 2 235.335 1.829 20 0 BDADLO C[C@@H]([NH2+]Cc1cscn1)[C@@H](O)C(F)(F)F ZINC000631233016 372252981 /nfs/dbraw/zinc/25/29/81/372252981.db2.gz WFCABOFQZFOBTA-IYSWYEEDSA-N 1 2 240.250 1.544 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)[C@H](O)C(F)(F)F ZINC000631236783 372255280 /nfs/dbraw/zinc/25/52/80/372255280.db2.gz QEPOZKJRAJDFCW-FSPLSTOPSA-N 1 2 224.182 1.076 20 0 BDADLO CC(C)(CNc1ncccn1)n1cc[nH+]c1 ZINC000631368077 372318414 /nfs/dbraw/zinc/31/84/14/372318414.db2.gz BXAUCVGFMMSONS-UHFFFAOYSA-N 1 2 217.276 1.520 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000631425178 372355111 /nfs/dbraw/zinc/35/51/11/372355111.db2.gz BLEOUMAPLSYBFQ-PHIMTYICSA-N 1 2 248.330 1.260 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000631425178 372355114 /nfs/dbraw/zinc/35/51/14/372355114.db2.gz BLEOUMAPLSYBFQ-PHIMTYICSA-N 1 2 248.330 1.260 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@H]1CCC[C@@H]1O ZINC000631522795 372408604 /nfs/dbraw/zinc/40/86/04/372408604.db2.gz SVJMTDZEALJVRW-ONGXEEELSA-N 1 2 249.289 1.460 20 0 BDADLO CC(C)CC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000171733820 372747800 /nfs/dbraw/zinc/74/78/00/372747800.db2.gz FZLLYYCNBXTBMC-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO CC(C)CC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000171733820 372747808 /nfs/dbraw/zinc/74/78/08/372747808.db2.gz FZLLYYCNBXTBMC-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO CNC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000632166405 372787896 /nfs/dbraw/zinc/78/78/96/372787896.db2.gz MXIUCUIZWKZIKP-UHFFFAOYSA-N 1 2 218.260 1.072 20 0 BDADLO Cc1cccn2cc(CNC(=O)NC(C)C)[nH+]c12 ZINC000632166884 372788488 /nfs/dbraw/zinc/78/84/88/372788488.db2.gz ZZVLTXSKVQMYJL-UHFFFAOYSA-N 1 2 246.314 1.850 20 0 BDADLO O=C(COCC1CC1)Nc1cccc2[nH+]ccn21 ZINC000266128913 181997514 /nfs/dbraw/zinc/99/75/14/181997514.db2.gz BKLQQQWFLHCXRH-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO O=C(COCc1[nH]cc[nH+]1)Nc1ccc(F)cc1 ZINC000123802911 182000483 /nfs/dbraw/zinc/00/04/83/182000483.db2.gz UENFGMFBIIDFHB-UHFFFAOYSA-N 1 2 249.245 1.704 20 0 BDADLO CC(C)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000632417988 372928549 /nfs/dbraw/zinc/92/85/49/372928549.db2.gz SZAGQPPDNJRFCX-DTWKUNHWSA-N 1 2 222.292 1.597 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NC1CC1 ZINC000041287843 182059333 /nfs/dbraw/zinc/05/93/33/182059333.db2.gz HIHWHOOIWIXOTE-UHFFFAOYSA-N 1 2 215.256 1.155 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCC(F)(F)C1 ZINC000281787728 182070995 /nfs/dbraw/zinc/07/09/95/182070995.db2.gz LVQKXXFGOPPQQZ-VIFPVBQESA-N 1 2 243.257 1.435 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@H]1C1CC1 ZINC000329712001 182085797 /nfs/dbraw/zinc/08/57/97/182085797.db2.gz PJTQIITVQWNLJF-DTWKUNHWSA-N 1 2 218.256 1.194 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCCC1CC1 ZINC000633028693 373254919 /nfs/dbraw/zinc/25/49/19/373254919.db2.gz GEICIBXJIZFOEK-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633133681 373300753 /nfs/dbraw/zinc/30/07/53/373300753.db2.gz DBDQBRVWFHPUTE-SNVBAGLBSA-N 1 2 238.335 1.986 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000356038720 168844766 /nfs/dbraw/zinc/84/47/66/168844766.db2.gz UQDWBKMHUWDIKL-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000356038720 168844767 /nfs/dbraw/zinc/84/47/67/168844767.db2.gz UQDWBKMHUWDIKL-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)C(F)F ZINC000633270148 373429889 /nfs/dbraw/zinc/42/98/89/373429889.db2.gz ZCBJSWLKVFHSEG-SSDOTTSWSA-N 1 2 246.261 1.595 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000633318201 373471330 /nfs/dbraw/zinc/47/13/30/373471330.db2.gz AFLDOJYBDWCBIS-WDEREUQCSA-N 1 2 248.330 1.740 20 0 BDADLO O=C(NCC1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875297 182140513 /nfs/dbraw/zinc/14/05/13/182140513.db2.gz RUBVCQDYOLEKLG-SECBINFHSA-N 1 2 219.288 1.041 20 0 BDADLO O=C(NCC1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875297 182140514 /nfs/dbraw/zinc/14/05/14/182140514.db2.gz RUBVCQDYOLEKLG-SECBINFHSA-N 1 2 219.288 1.041 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC2(CCC2)C1 ZINC000633338112 373484084 /nfs/dbraw/zinc/48/40/84/373484084.db2.gz NEPTVDHMYGDDCI-UHFFFAOYSA-N 1 2 248.330 1.884 20 0 BDADLO O=C(NCC1CC1)c1ccc2[nH+]ccn2c1 ZINC000170787260 182142598 /nfs/dbraw/zinc/14/25/98/182142598.db2.gz WYNPYBALCCHFBV-UHFFFAOYSA-N 1 2 215.256 1.474 20 0 BDADLO CCn1ncc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1C ZINC000633604067 373621525 /nfs/dbraw/zinc/62/15/25/373621525.db2.gz ZADSZBARTUXTBQ-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO CCn1ncc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1C ZINC000633604067 373621530 /nfs/dbraw/zinc/62/15/30/373621530.db2.gz ZADSZBARTUXTBQ-UHFFFAOYSA-N 1 2 247.302 1.207 20 0 BDADLO O=C(NCCCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC000360818655 182162299 /nfs/dbraw/zinc/16/22/99/182162299.db2.gz OTBKESQRRNCYAA-JTQLQIEISA-N 1 2 239.294 1.311 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1CCOC1 ZINC000118750006 182168302 /nfs/dbraw/zinc/16/83/02/182168302.db2.gz NOUYYGJGZDPLSQ-LLVKDONJSA-N 1 2 249.314 1.036 20 0 BDADLO O=C(NCCF)NCc1ccn2cc[nH+]c2c1 ZINC000281821124 182180466 /nfs/dbraw/zinc/18/04/66/182180466.db2.gz OVXTYEYWPQYXDR-UHFFFAOYSA-N 1 2 236.250 1.103 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1CC=CC1 ZINC000150892836 182176638 /nfs/dbraw/zinc/17/66/38/182176638.db2.gz BVZARFSPRXLIAV-UHFFFAOYSA-N 1 2 219.288 1.356 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12C[C@H]1CCCC2 ZINC000634090512 373959104 /nfs/dbraw/zinc/95/91/04/373959104.db2.gz OSWSLIUUWGBBRW-ZWNOBZJWSA-N 1 2 233.315 1.710 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@]12C[C@H]1CCCC2 ZINC000634090512 373959108 /nfs/dbraw/zinc/95/91/08/373959108.db2.gz OSWSLIUUWGBBRW-ZWNOBZJWSA-N 1 2 233.315 1.710 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000634034194 373922780 /nfs/dbraw/zinc/92/27/80/373922780.db2.gz YCFHNRUZVZVPIG-FXPVBKGRSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000634034194 373922786 /nfs/dbraw/zinc/92/27/86/373922786.db2.gz YCFHNRUZVZVPIG-FXPVBKGRSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H]1C1CC1 ZINC000360247537 182214806 /nfs/dbraw/zinc/21/48/06/182214806.db2.gz WKYIVJRLQYSQQZ-LBPRGKRZSA-N 1 2 248.330 1.467 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1C1CC1 ZINC000360247521 182214943 /nfs/dbraw/zinc/21/49/43/182214943.db2.gz WKYIVJRLQYSQQZ-GFCCVEGCSA-N 1 2 248.330 1.467 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000163881115 182215804 /nfs/dbraw/zinc/21/58/04/182215804.db2.gz UWIWCAINEXUNHO-UHFFFAOYSA-N 1 2 233.315 1.436 20 0 BDADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)o1 ZINC000634310263 374154475 /nfs/dbraw/zinc/15/44/75/374154475.db2.gz IVVKAGKDEXVNFN-UHFFFAOYSA-N 1 2 233.271 1.491 20 0 BDADLO O=C(NCc1ccc[nH]1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332097493 182252428 /nfs/dbraw/zinc/25/24/28/182252428.db2.gz DGBWVGBRKCBVNW-SNVBAGLBSA-N 1 2 244.298 1.090 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)NC1CC1 ZINC000048844575 182268384 /nfs/dbraw/zinc/26/83/84/182268384.db2.gz WBLFRWPSXKCNNE-UHFFFAOYSA-N 1 2 230.271 1.296 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1c(O)cccc1F ZINC000228922981 182273150 /nfs/dbraw/zinc/27/31/50/182273150.db2.gz UEHIQDTWSBPTQQ-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccoc1 ZINC000336331303 182313472 /nfs/dbraw/zinc/31/34/72/182313472.db2.gz QVDWQCJODJVVOT-SECBINFHSA-N 1 2 231.255 1.290 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccoc1 ZINC000336331303 182313476 /nfs/dbraw/zinc/31/34/76/182313476.db2.gz QVDWQCJODJVVOT-SECBINFHSA-N 1 2 231.255 1.290 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000169798147 182314639 /nfs/dbraw/zinc/31/46/39/182314639.db2.gz ZYUOXFRZFLVRKV-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H](F)C2)c[nH]1 ZINC000449391764 206096435 /nfs/dbraw/zinc/09/64/35/206096435.db2.gz ZHEQPPSZLYISHW-SECBINFHSA-N 1 2 226.251 1.345 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@@H](F)C2)c[nH]1 ZINC000449391764 206096441 /nfs/dbraw/zinc/09/64/41/206096441.db2.gz ZHEQPPSZLYISHW-SECBINFHSA-N 1 2 226.251 1.345 20 0 BDADLO CC[N@H+](Cc1cnc(C)s1)C1COC1 ZINC000449426874 206098663 /nfs/dbraw/zinc/09/86/63/206098663.db2.gz QOMVGEZMAZAWPO-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CC[N@@H+](Cc1cnc(C)s1)C1COC1 ZINC000449426874 206098668 /nfs/dbraw/zinc/09/86/68/206098668.db2.gz QOMVGEZMAZAWPO-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO FC(F)(F)CN1CC[NH+](Cc2ccco2)CC1 ZINC000194514499 206092059 /nfs/dbraw/zinc/09/20/59/206092059.db2.gz VVEITUZLGAWQEB-UHFFFAOYSA-N 1 2 248.248 1.960 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000169798070 182341913 /nfs/dbraw/zinc/34/19/13/182341913.db2.gz SOGCSAIYDKFPEH-LBPRGKRZSA-N 1 2 241.294 1.628 20 0 BDADLO FC(F)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000459546622 206132604 /nfs/dbraw/zinc/13/26/04/206132604.db2.gz MZVREYSLKGEHCB-UHFFFAOYSA-N 1 2 238.241 1.622 20 0 BDADLO O=C(Nc1cc(F)cc(F)c1)[C@@H]1CSC[NH2+]1 ZINC000019509397 182349101 /nfs/dbraw/zinc/34/91/01/182349101.db2.gz JUXAAWYAEGFKFL-VIFPVBQESA-N 1 2 244.266 1.566 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CC1(F)F ZINC000297697969 182385227 /nfs/dbraw/zinc/38/52/27/182385227.db2.gz ICAHPWUEOFHNNX-QMMMGPOBSA-N 1 2 237.209 1.928 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccc[nH]c1=O ZINC000109891450 182387837 /nfs/dbraw/zinc/38/78/37/182387837.db2.gz MSMCAXSYMSNKQM-UHFFFAOYSA-N 1 2 231.211 1.140 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309942956 170187354 /nfs/dbraw/zinc/18/73/54/170187354.db2.gz CHHOKSPRPXKMAB-VIFPVBQESA-N 1 2 231.336 1.325 20 0 BDADLO O=C(c1cn[nH]c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263932937 182697461 /nfs/dbraw/zinc/69/74/61/182697461.db2.gz CYYZAPGAYYHVBD-VIFPVBQESA-N 1 2 245.286 1.153 20 0 BDADLO OC1(Cn2cc[nH+]c2-c2ccncc2)CCC1 ZINC000341385884 183022146 /nfs/dbraw/zinc/02/21/46/183022146.db2.gz XDGYRVVKQARLQM-UHFFFAOYSA-N 1 2 229.283 1.860 20 0 BDADLO OC1CN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000078612584 183031084 /nfs/dbraw/zinc/03/10/84/183031084.db2.gz ZAWAFHLRSRYIHD-UHFFFAOYSA-N 1 2 218.178 1.281 20 0 BDADLO OCCCC1CC[NH+](Cc2csnn2)CC1 ZINC000341523348 183043702 /nfs/dbraw/zinc/04/37/02/183043702.db2.gz FMFKEEFBZURDLO-UHFFFAOYSA-N 1 2 241.360 1.523 20 0 BDADLO OCCC1(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000336674968 183044023 /nfs/dbraw/zinc/04/40/23/183044023.db2.gz KZCKBAOWHARUHQ-UHFFFAOYSA-N 1 2 219.288 1.681 20 0 BDADLO OCCCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000361477260 183046113 /nfs/dbraw/zinc/04/61/13/183046113.db2.gz HFJHERVGNVTPFD-GFCCVEGCSA-N 1 2 239.315 1.816 20 0 BDADLO OCCCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000361477260 183046116 /nfs/dbraw/zinc/04/61/16/183046116.db2.gz HFJHERVGNVTPFD-GFCCVEGCSA-N 1 2 239.315 1.816 20 0 BDADLO OCC(F)(F)C[NH2+]C/C=C\c1ccncc1 ZINC000309623819 183033236 /nfs/dbraw/zinc/03/32/36/183033236.db2.gz IICZUNAKUMPWGO-UPHRSURJSA-N 1 2 228.242 1.312 20 0 BDADLO OCC(CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354342895 183033398 /nfs/dbraw/zinc/03/33/98/183033398.db2.gz HSOMFACLOFTAQS-UHFFFAOYSA-N 1 2 236.246 1.139 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000341556070 183034865 /nfs/dbraw/zinc/03/48/65/183034865.db2.gz LZBWIMSKGYALBG-UHFFFAOYSA-N 1 2 241.241 1.280 20 0 BDADLO OCC(F)(F)CNc1cc[nH+]c(C2CC2)n1 ZINC000274237493 183035730 /nfs/dbraw/zinc/03/57/30/183035730.db2.gz BIQZMXIYPATMLM-UHFFFAOYSA-N 1 2 229.230 1.394 20 0 BDADLO OCCCSCc1ccc(-n2cc[nH+]c2)nc1 ZINC000298119172 183063515 /nfs/dbraw/zinc/06/35/15/183063515.db2.gz BPIDKRYGFGYPSI-UHFFFAOYSA-N 1 2 249.339 1.883 20 0 BDADLO OCC[N@H+](Cc1nnc(-c2ccco2)o1)C1CC1 ZINC000048065339 183072590 /nfs/dbraw/zinc/07/25/90/183072590.db2.gz BQSKWMZLFHIPND-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OCC[N@@H+](Cc1nnc(-c2ccco2)o1)C1CC1 ZINC000048065339 183072591 /nfs/dbraw/zinc/07/25/91/183072591.db2.gz BQSKWMZLFHIPND-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000177703130 183073834 /nfs/dbraw/zinc/07/38/34/183073834.db2.gz YPHGXBZYLWBFFZ-GFCCVEGCSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000177703130 183073835 /nfs/dbraw/zinc/07/38/35/183073835.db2.gz YPHGXBZYLWBFFZ-GFCCVEGCSA-N 1 2 225.263 1.191 20 0 BDADLO CCCC[C@H](C)[NH2+][C@H](COC)C(=O)OC ZINC000336730945 168992056 /nfs/dbraw/zinc/99/20/56/168992056.db2.gz KKQGGNDYDVNPHB-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO OCCO[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000172295432 183086742 /nfs/dbraw/zinc/08/67/42/183086742.db2.gz MGIYCXOKTRTMPO-LLVKDONJSA-N 1 2 242.344 1.116 20 0 BDADLO OCCO[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000172295432 183086745 /nfs/dbraw/zinc/08/67/45/183086745.db2.gz MGIYCXOKTRTMPO-LLVKDONJSA-N 1 2 242.344 1.116 20 0 BDADLO OCC[C@H]([NH2+]Cc1ccccn1)c1ccco1 ZINC000184519869 183097112 /nfs/dbraw/zinc/09/71/12/183097112.db2.gz DWIGDBRQKVGVQZ-LBPRGKRZSA-N 1 2 232.283 1.888 20 0 BDADLO CCCC[C@H](COC)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000358815337 169005188 /nfs/dbraw/zinc/00/51/88/169005188.db2.gz OBRQGPQRCDGNRY-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO OC[C@@H](CC(F)(F)F)Nc1cccc[nH+]1 ZINC000336663261 183102622 /nfs/dbraw/zinc/10/26/22/183102622.db2.gz CNOXXCWCXIQZJJ-SSDOTTSWSA-N 1 2 220.194 1.807 20 0 BDADLO OC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccsc1 ZINC000308947731 183109462 /nfs/dbraw/zinc/10/94/62/183109462.db2.gz SXTKUQOGMHQRCK-SECBINFHSA-N 1 2 223.301 1.294 20 0 BDADLO OC[C@@H]([NH2+]Cc1ccon1)c1ccsc1 ZINC000308934957 183109835 /nfs/dbraw/zinc/10/98/35/183109835.db2.gz NUSIPEMBOSPYIW-SNVBAGLBSA-N 1 2 224.285 1.559 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2ccccn2)C1 ZINC000286747677 183133667 /nfs/dbraw/zinc/13/36/67/183133667.db2.gz FAIMTVJEYAVJEK-GFCCVEGCSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccccn2)C1 ZINC000286747677 183133670 /nfs/dbraw/zinc/13/36/70/183133670.db2.gz FAIMTVJEYAVJEK-GFCCVEGCSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000062999984 183141343 /nfs/dbraw/zinc/14/13/43/183141343.db2.gz WYLZLRCILUKCTB-LBPRGKRZSA-N 1 2 217.272 1.233 20 0 BDADLO OC[C@@H]1CC[C@H](CNc2cccc[nH+]2)O1 ZINC000292298930 183126710 /nfs/dbraw/zinc/12/67/10/183126710.db2.gz ADNKAJGKRJJMDX-ZJUUUORDSA-N 1 2 208.261 1.033 20 0 BDADLO OC[C@H]1CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000086001427 183150198 /nfs/dbraw/zinc/15/01/98/183150198.db2.gz ROWCNOZNGXHWRX-RBMBQVQZSA-N 1 2 210.104 1.762 20 0 BDADLO OC[C@H]1CCC[N@H+]1C/C(Cl)=C/Cl ZINC000086001427 183150200 /nfs/dbraw/zinc/15/02/00/183150200.db2.gz ROWCNOZNGXHWRX-RBMBQVQZSA-N 1 2 210.104 1.762 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000354689159 183151185 /nfs/dbraw/zinc/15/11/85/183151185.db2.gz HEBSHWYTXROIET-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000354689159 183151188 /nfs/dbraw/zinc/15/11/88/183151188.db2.gz HEBSHWYTXROIET-VIFPVBQESA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000051886527 183153543 /nfs/dbraw/zinc/15/35/43/183153543.db2.gz NUYWQKDFUZYTNG-VIFPVBQESA-N 1 2 217.272 1.382 20 0 BDADLO OC[C@]1([NH2+]Cc2c[nH]cn2)CCc2ccccc21 ZINC000370802689 183158827 /nfs/dbraw/zinc/15/88/27/183158827.db2.gz JCMOCUOMFZJHSK-CQSZACIVSA-N 1 2 243.310 1.333 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cncs2)C1 ZINC000336250752 183159575 /nfs/dbraw/zinc/15/95/75/183159575.db2.gz FZRJZFMUCTXGCV-VIFPVBQESA-N 1 2 216.281 1.049 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cncs2)C1 ZINC000336250752 183159576 /nfs/dbraw/zinc/15/95/76/183159576.db2.gz FZRJZFMUCTXGCV-VIFPVBQESA-N 1 2 216.281 1.049 20 0 BDADLO CCCN(C(=O)CCn1cc[nH+]c1)C1CC1 ZINC000264094169 169042347 /nfs/dbraw/zinc/04/23/47/169042347.db2.gz SPQGAMKEBFZHAJ-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO OCc1ccc(NCc2cccnc2)[nH+]c1 ZINC000336693652 183162590 /nfs/dbraw/zinc/16/25/90/183162590.db2.gz XRPSMWRXSDGQPF-UHFFFAOYSA-N 1 2 215.256 1.003 20 0 BDADLO OCc1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000296174264 183163756 /nfs/dbraw/zinc/16/37/56/183163756.db2.gz XKMLKGXHAAHXOC-UHFFFAOYSA-N 1 2 223.272 1.135 20 0 BDADLO OCc1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000296174264 183163759 /nfs/dbraw/zinc/16/37/59/183163759.db2.gz XKMLKGXHAAHXOC-UHFFFAOYSA-N 1 2 223.272 1.135 20 0 BDADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000123761248 183184236 /nfs/dbraw/zinc/18/42/36/183184236.db2.gz QJKMDNLPSUNXEM-BDAKNGLRSA-N 1 2 249.236 1.297 20 0 BDADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000123761248 183184239 /nfs/dbraw/zinc/18/42/39/183184239.db2.gz QJKMDNLPSUNXEM-BDAKNGLRSA-N 1 2 249.236 1.297 20 0 BDADLO OCc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000336673167 183166814 /nfs/dbraw/zinc/16/68/14/183166814.db2.gz JPFZTDITZDJDQU-UHFFFAOYSA-N 1 2 218.256 1.457 20 0 BDADLO O[C@@H]1CC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@@H]12 ZINC000228090017 183206166 /nfs/dbraw/zinc/20/61/66/183206166.db2.gz BHMJMVPXTVIAHF-OPQQBVKSSA-N 1 2 243.310 1.770 20 0 BDADLO CCCN(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000063678250 169062360 /nfs/dbraw/zinc/06/23/60/169062360.db2.gz DAJRIXREUFBOPS-UHFFFAOYSA-N 1 2 244.298 1.749 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000294796993 183208104 /nfs/dbraw/zinc/20/81/04/183208104.db2.gz MMGZJFUFVYKVSF-NSHDSACASA-N 1 2 243.253 1.158 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000294796993 183208107 /nfs/dbraw/zinc/20/81/07/183208107.db2.gz MMGZJFUFVYKVSF-NSHDSACASA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H](C[N@@H+]1CCO[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000368326610 183221738 /nfs/dbraw/zinc/22/17/38/183221738.db2.gz DAQIWCYVDQULDN-UPJWGTAASA-N 1 2 237.274 1.332 20 0 BDADLO O[C@H](C[N@H+]1CCO[C@H]2C[C@H]21)c1ccc(F)cc1 ZINC000368326610 183221741 /nfs/dbraw/zinc/22/17/41/183221741.db2.gz DAQIWCYVDQULDN-UPJWGTAASA-N 1 2 237.274 1.332 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1ccn(C)c1 ZINC000092380405 169101640 /nfs/dbraw/zinc/10/16/40/169101640.db2.gz GKQRFBUWSMQBIL-UHFFFAOYSA-N 1 2 238.331 1.800 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1ccn(C)c1 ZINC000092380405 169101643 /nfs/dbraw/zinc/10/16/43/169101643.db2.gz GKQRFBUWSMQBIL-UHFFFAOYSA-N 1 2 238.331 1.800 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1cncc(F)c1 ZINC000274389950 169094929 /nfs/dbraw/zinc/09/49/29/169094929.db2.gz VDBIEXBYUSYQQW-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1cncc(F)c1 ZINC000274389950 169094931 /nfs/dbraw/zinc/09/49/31/169094931.db2.gz VDBIEXBYUSYQQW-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO O[C@@]1(C2CC2)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000373276412 183216367 /nfs/dbraw/zinc/21/63/67/183216367.db2.gz BWUKHCRLLCIPTL-ZDUSSCGKSA-N 1 2 249.314 1.294 20 0 BDADLO O[C@@]1(C2CC2)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000373276412 183216370 /nfs/dbraw/zinc/21/63/70/183216370.db2.gz BWUKHCRLLCIPTL-ZDUSSCGKSA-N 1 2 249.314 1.294 20 0 BDADLO CCCN(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000287754348 169112420 /nfs/dbraw/zinc/11/24/20/169112420.db2.gz XEHOJMGGUZQRCJ-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO Oc1ccc2c(c1)OCCN(Cc1[nH]cc[nH+]1)C2 ZINC000285523310 183281795 /nfs/dbraw/zinc/28/17/95/183281795.db2.gz ONBFKUJRWFOHDK-UHFFFAOYSA-N 1 2 245.282 1.510 20 0 BDADLO CCCN(Cc1[nH]cc[nH+]1)CC(F)F ZINC000109835165 169181761 /nfs/dbraw/zinc/18/17/61/169181761.db2.gz JMQBEMIDHOAGEH-UHFFFAOYSA-N 1 2 203.236 1.887 20 0 BDADLO c1c[nH]c(C[NH2+]CCc2ccc3cn[nH]c3c2)n1 ZINC000341260393 183324767 /nfs/dbraw/zinc/32/47/67/183324767.db2.gz DUCVGBDTJNLMBK-UHFFFAOYSA-N 1 2 241.298 1.618 20 0 BDADLO c1c[nH+]c(CNc2ccc3cn[nH]c3c2)[nH]1 ZINC000049715379 183327685 /nfs/dbraw/zinc/32/76/85/183327685.db2.gz IYUHSZHXENTVPF-UHFFFAOYSA-N 1 2 213.244 1.898 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@@H+]2CC2CC2)[nH]1 ZINC000329562041 183307423 /nfs/dbraw/zinc/30/74/23/183307423.db2.gz GJRGNONHQGPXTJ-SECBINFHSA-N 1 2 222.292 1.447 20 0 BDADLO O=c1[nH]nc([C@H]2CCCC[N@H+]2CC2CC2)[nH]1 ZINC000329562041 183307424 /nfs/dbraw/zinc/30/74/24/183307424.db2.gz GJRGNONHQGPXTJ-SECBINFHSA-N 1 2 222.292 1.447 20 0 BDADLO O=c1[nH]ccc2c1C[N@H+](Cc1cc[nH]n1)CC2 ZINC000277019503 183309173 /nfs/dbraw/zinc/30/91/73/183309173.db2.gz KZMYHIGBSWQMPV-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc[nH]n1)CC2 ZINC000277019503 183309175 /nfs/dbraw/zinc/30/91/75/183309175.db2.gz KZMYHIGBSWQMPV-UHFFFAOYSA-N 1 2 230.271 1.069 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357319452 169222933 /nfs/dbraw/zinc/22/29/33/169222933.db2.gz VIIQSUIQPRDYID-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357319452 169222934 /nfs/dbraw/zinc/22/29/34/169222934.db2.gz VIIQSUIQPRDYID-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)n[nH]1 ZINC000354739447 183344310 /nfs/dbraw/zinc/34/43/10/183344310.db2.gz YMTPIYYYTNMUIO-ZDUSSCGKSA-N 1 2 235.331 1.801 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)n[nH]1 ZINC000354739447 183344311 /nfs/dbraw/zinc/34/43/11/183344311.db2.gz YMTPIYYYTNMUIO-ZDUSSCGKSA-N 1 2 235.331 1.801 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000265176071 183344728 /nfs/dbraw/zinc/34/47/28/183344728.db2.gz ZIYGJSMSIIJMSW-WDEREUQCSA-N 1 2 208.261 1.428 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000265176071 183344729 /nfs/dbraw/zinc/34/47/29/183344729.db2.gz ZIYGJSMSIIJMSW-WDEREUQCSA-N 1 2 208.261 1.428 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000113943110 169222177 /nfs/dbraw/zinc/22/21/77/169222177.db2.gz DZTSPSAYVFCBNP-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000113943110 169222179 /nfs/dbraw/zinc/22/21/79/169222179.db2.gz DZTSPSAYVFCBNP-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO c1cc(CC[N@@H+]2CCOC[C@]23CCOC3)ccn1 ZINC000193665291 183336503 /nfs/dbraw/zinc/33/65/03/183336503.db2.gz YKKCYISTETWBNX-CQSZACIVSA-N 1 2 248.326 1.115 20 0 BDADLO c1cc(CC[N@H+]2CCOC[C@]23CCOC3)ccn1 ZINC000193665291 183336506 /nfs/dbraw/zinc/33/65/06/183336506.db2.gz YKKCYISTETWBNX-CQSZACIVSA-N 1 2 248.326 1.115 20 0 BDADLO CCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074903713 169234571 /nfs/dbraw/zinc/23/45/71/169234571.db2.gz SGHVEGHHVMPALL-UHFFFAOYSA-N 1 2 236.319 1.709 20 0 BDADLO CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000372759131 169244723 /nfs/dbraw/zinc/24/47/23/169244723.db2.gz TUAIRLLXUHNLCP-LBPRGKRZSA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000372759131 169244724 /nfs/dbraw/zinc/24/47/24/169244724.db2.gz TUAIRLLXUHNLCP-LBPRGKRZSA-N 1 2 240.347 1.156 20 0 BDADLO c1cn(Cc2nc(-c3ccccc3)no2)c[nH+]1 ZINC000028712829 183384581 /nfs/dbraw/zinc/38/45/81/183384581.db2.gz IQHIWHSFNJNDPM-UHFFFAOYSA-N 1 2 226.239 1.981 20 0 BDADLO c1cn(Cc2nnc(C3CC3)n2C2CC2)c[nH+]1 ZINC000181142236 183471862 /nfs/dbraw/zinc/47/18/62/183471862.db2.gz IURVXJPJWLZPLE-UHFFFAOYSA-N 1 2 229.287 1.735 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](CC)C(=O)OC)OC ZINC000356337505 169386186 /nfs/dbraw/zinc/38/61/86/169386186.db2.gz PVGPHWKJYJGVAB-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO CCC[C@@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000309191156 169399952 /nfs/dbraw/zinc/39/99/52/169399952.db2.gz PQKSGMGVVZXNJH-UDNWOFFPSA-N 1 2 215.293 1.095 20 0 BDADLO CCn1cnnc1CNc1cc(C)[nH+]cn1 ZINC000226366375 134364476 /nfs/dbraw/zinc/36/44/76/134364476.db2.gz LGVFAGBEFOTYJA-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000647208189 383826137 /nfs/dbraw/zinc/82/61/37/383826137.db2.gz FIUYLEBBGVLFES-IONNQARKSA-N 1 2 223.276 1.214 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]Cc2cnn(C)c2)o1 ZINC000220931957 383826719 /nfs/dbraw/zinc/82/67/19/383826719.db2.gz ZVZZMARYJIIUAA-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cn[nH]c1 ZINC000235226943 383860220 /nfs/dbraw/zinc/86/02/20/383860220.db2.gz DLFDYAWYZKAYHO-SECBINFHSA-N 1 2 248.334 1.607 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000492796874 533014741 /nfs/dbraw/zinc/01/47/41/533014741.db2.gz QWOBYBQMSDRABR-XNPJLODASA-N 1 2 230.271 1.628 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nncn2C)CCC1(F)F ZINC000518444996 383878095 /nfs/dbraw/zinc/87/80/95/383878095.db2.gz YQOJCCDAFBGRRO-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nncn2C)CCC1(F)F ZINC000518444996 383878101 /nfs/dbraw/zinc/87/81/01/383878101.db2.gz YQOJCCDAFBGRRO-MRVPVSSYSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152543893 383879130 /nfs/dbraw/zinc/87/91/30/383879130.db2.gz VEPSZFLLVUQURU-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1noc(CCC[N@H+]2CCOC[C@H]2C)n1 ZINC000407947556 383907577 /nfs/dbraw/zinc/90/75/77/383907577.db2.gz BVXVEOQHBRZSSI-SECBINFHSA-N 1 2 225.292 1.031 20 0 BDADLO Cc1noc(CCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000407947556 383907583 /nfs/dbraw/zinc/90/75/83/383907583.db2.gz BVXVEOQHBRZSSI-SECBINFHSA-N 1 2 225.292 1.031 20 0 BDADLO c1[nH]nc2c1CN(c1cc[nH+]c(C3CC3)n1)CC2 ZINC000112553869 383931966 /nfs/dbraw/zinc/93/19/66/383931966.db2.gz QXBMJIRSGGTNQQ-UHFFFAOYSA-N 1 2 241.298 1.640 20 0 BDADLO Nc1nnc(SCCCn2cc[nH+]c2)s1 ZINC000049328337 383888354 /nfs/dbraw/zinc/88/83/54/383888354.db2.gz FMQZJPKKQZGJDU-UHFFFAOYSA-N 1 2 241.345 1.499 20 0 BDADLO CC[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000089104877 383933560 /nfs/dbraw/zinc/93/35/60/383933560.db2.gz SGSPJBXENPZNSX-OAHLLOKOSA-N 1 2 222.313 1.911 20 0 BDADLO CC[C@H]([NH2+]Cc1c[nH]nc1C)C(F)F ZINC000449362187 383980497 /nfs/dbraw/zinc/98/04/97/383980497.db2.gz MODFKAXYKLIZGR-QMMMGPOBSA-N 1 2 203.236 1.851 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000068324620 383984488 /nfs/dbraw/zinc/98/44/88/383984488.db2.gz MNXVXVJBZJNGOI-UHFFFAOYSA-N 1 2 244.298 1.689 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000113505925 383988648 /nfs/dbraw/zinc/98/86/48/383988648.db2.gz XTKVGNAVXJZMFQ-UHFFFAOYSA-N 1 2 249.310 1.777 20 0 BDADLO COC(=O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000113505925 383988652 /nfs/dbraw/zinc/98/86/52/383988652.db2.gz XTKVGNAVXJZMFQ-UHFFFAOYSA-N 1 2 249.310 1.777 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC2(CO)CC2)o1 ZINC000186765760 383997203 /nfs/dbraw/zinc/99/72/03/383997203.db2.gz DCMXNKMBMMDAOW-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC2(CO)CC2)o1 ZINC000186765760 383997208 /nfs/dbraw/zinc/99/72/08/383997208.db2.gz DCMXNKMBMMDAOW-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCCC1 ZINC000068509712 383997297 /nfs/dbraw/zinc/99/72/97/383997297.db2.gz ZPNODEYKBGBNGW-UHFFFAOYSA-N 1 2 229.283 1.960 20 0 BDADLO Cc1noc(C)c1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569371109 383961564 /nfs/dbraw/zinc/96/15/64/383961564.db2.gz UIECWGBTZMECKQ-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO CC[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@@H](O)CC ZINC000313153658 383962020 /nfs/dbraw/zinc/96/20/20/383962020.db2.gz AQCOUBXOAQASQI-RQJHMYQMSA-N 1 2 244.726 1.674 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc(N)c1Cl)[C@@H](O)CC ZINC000313153658 383962024 /nfs/dbraw/zinc/96/20/24/383962024.db2.gz AQCOUBXOAQASQI-RQJHMYQMSA-N 1 2 244.726 1.674 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC12CCC2 ZINC000336472512 383965794 /nfs/dbraw/zinc/96/57/94/383965794.db2.gz AAAGYIMTLSIUSP-UHFFFAOYSA-N 1 2 231.299 1.972 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000560214891 383977896 /nfs/dbraw/zinc/97/78/96/383977896.db2.gz OBEHITLWPVVIRW-WDEREUQCSA-N 1 2 236.319 1.053 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000560214891 383977899 /nfs/dbraw/zinc/97/78/99/383977899.db2.gz OBEHITLWPVVIRW-WDEREUQCSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000560214891 383977909 /nfs/dbraw/zinc/97/79/09/383977909.db2.gz OBEHITLWPVVIRW-WDEREUQCSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000560214891 383977915 /nfs/dbraw/zinc/97/79/15/383977915.db2.gz OBEHITLWPVVIRW-WDEREUQCSA-N 1 2 236.319 1.053 20 0 BDADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccccn1 ZINC000049714644 384022811 /nfs/dbraw/zinc/02/28/11/384022811.db2.gz KKNXUBHVIVHZCU-VIFPVBQESA-N 1 2 202.261 1.656 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1C/C=C/c1ccccc1 ZINC000114718636 384050190 /nfs/dbraw/zinc/05/01/90/384050190.db2.gz ZPBZPGHLEHNOKB-RMKNXTFCSA-N 1 2 244.338 1.910 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1C/C=C/c1ccccc1 ZINC000114718636 384050198 /nfs/dbraw/zinc/05/01/98/384050198.db2.gz ZPBZPGHLEHNOKB-RMKNXTFCSA-N 1 2 244.338 1.910 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnn(C)n1)CC2 ZINC000330271446 384031926 /nfs/dbraw/zinc/03/19/26/384031926.db2.gz VYGKGIAECVZEIZ-LBPRGKRZSA-N 1 2 243.314 1.296 20 0 BDADLO COC(=O)[C@H](C)CSCc1[nH+]ccn1C ZINC000078828452 384086065 /nfs/dbraw/zinc/08/60/65/384086065.db2.gz GMLBFJNWAGGLRY-MRVPVSSYSA-N 1 2 228.317 1.462 20 0 BDADLO Cn1c[nH+]cc1CN1CCc2ccc(CO)cc21 ZINC000363456173 384058316 /nfs/dbraw/zinc/05/83/16/384058316.db2.gz KYVIJBXRHYRMHC-UHFFFAOYSA-N 1 2 243.310 1.475 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158028136 384066034 /nfs/dbraw/zinc/06/60/34/384066034.db2.gz QRNISCKDHATDDW-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000158028136 384066036 /nfs/dbraw/zinc/06/60/36/384066036.db2.gz QRNISCKDHATDDW-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC2(CCCC2)C1 ZINC000158028136 384066039 /nfs/dbraw/zinc/06/60/39/384066039.db2.gz QRNISCKDHATDDW-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000049956404 384069768 /nfs/dbraw/zinc/06/97/68/384069768.db2.gz QBARAMIIOQKYRO-SECBINFHSA-N 1 2 225.263 1.819 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000049956404 384069771 /nfs/dbraw/zinc/06/97/71/384069771.db2.gz QBARAMIIOQKYRO-SECBINFHSA-N 1 2 225.263 1.819 20 0 BDADLO CN=c1[nH]c(CNc2nc(C)[nH+]cc2C)cs1 ZINC000558529569 384070632 /nfs/dbraw/zinc/07/06/32/384070632.db2.gz OHKNDKIGDIVPDI-UHFFFAOYSA-N 1 2 249.343 1.048 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCCCO1 ZINC000049947898 384070535 /nfs/dbraw/zinc/07/05/35/384070535.db2.gz KLDPMXBDIGIXSF-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCCCO1 ZINC000049947898 384070539 /nfs/dbraw/zinc/07/05/39/384070539.db2.gz KLDPMXBDIGIXSF-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO Cn1nccc1C[NH2+]Cc1c(F)cccc1F ZINC000070141144 384081377 /nfs/dbraw/zinc/08/13/77/384081377.db2.gz CMDJVZOUMQJJJM-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)no1 ZINC000332656065 384098504 /nfs/dbraw/zinc/09/85/04/384098504.db2.gz NNHOLEOYDORAOI-SNVBAGLBSA-N 1 2 224.264 1.125 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)no1 ZINC000332656065 384098512 /nfs/dbraw/zinc/09/85/12/384098512.db2.gz NNHOLEOYDORAOI-SNVBAGLBSA-N 1 2 224.264 1.125 20 0 BDADLO COC(=O)C[N@H+](Cc1ccncc1)C(C)C ZINC000050063428 384104742 /nfs/dbraw/zinc/10/47/42/384104742.db2.gz DNRQIRKKDAUWGI-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccncc1)C(C)C ZINC000050063428 384104744 /nfs/dbraw/zinc/10/47/44/384104744.db2.gz DNRQIRKKDAUWGI-UHFFFAOYSA-N 1 2 222.288 1.465 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CCc2ccc(F)cc2C1 ZINC000336553969 384123783 /nfs/dbraw/zinc/12/37/83/384123783.db2.gz PZSXXXBGEVKCEJ-ZDUSSCGKSA-N 1 2 248.301 1.462 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CCc2ccc(F)cc2C1 ZINC000336553969 384123789 /nfs/dbraw/zinc/12/37/89/384123789.db2.gz PZSXXXBGEVKCEJ-ZDUSSCGKSA-N 1 2 248.301 1.462 20 0 BDADLO Cc1cc[nH+]cc1NCc1cnn(C)c1 ZINC000070958276 384142905 /nfs/dbraw/zinc/14/29/05/384142905.db2.gz LQCWQWOPYRZVHP-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO O=C(CC[C@H]1CCCCO1)NCc1[nH]cc[nH+]1 ZINC000070991074 384145797 /nfs/dbraw/zinc/14/57/97/384145797.db2.gz ODJDZEYRGZDXOY-SNVBAGLBSA-N 1 2 237.303 1.375 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000574338074 384176897 /nfs/dbraw/zinc/17/68/97/384176897.db2.gz ABPQAPIPNOETMF-AEJSXWLSSA-N 1 2 237.303 1.793 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)on1 ZINC000574338074 384176903 /nfs/dbraw/zinc/17/69/03/384176903.db2.gz ABPQAPIPNOETMF-AEJSXWLSSA-N 1 2 237.303 1.793 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)o1 ZINC000093054736 384206706 /nfs/dbraw/zinc/20/67/06/384206706.db2.gz XAXUUVHXEOEBOF-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)o1 ZINC000093054736 384206713 /nfs/dbraw/zinc/20/67/13/384206713.db2.gz XAXUUVHXEOEBOF-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO CC[C@@H](C[N@@H+]1CCc2cn[nH]c2C1)OC ZINC000642698682 384191659 /nfs/dbraw/zinc/19/16/59/384191659.db2.gz DMFDNKYUQIFBEQ-JTQLQIEISA-N 1 2 209.293 1.193 20 0 BDADLO CC[C@@H](C[N@H+]1CCc2cn[nH]c2C1)OC ZINC000642698682 384191665 /nfs/dbraw/zinc/19/16/65/384191665.db2.gz DMFDNKYUQIFBEQ-JTQLQIEISA-N 1 2 209.293 1.193 20 0 BDADLO Cc1cc(C)cc(C[NH2+]Cc2ncn(C)n2)c1 ZINC000092852466 384197326 /nfs/dbraw/zinc/19/73/26/384197326.db2.gz JUNNTHIFZXNMJL-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO CC(C)(C)OCC(=O)NCCCn1cc[nH+]c1 ZINC000158425434 384230647 /nfs/dbraw/zinc/23/06/47/384230647.db2.gz RJOBTXWIZKRJOY-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO Cc1noc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072357327 384213418 /nfs/dbraw/zinc/21/34/18/384213418.db2.gz WZKJIFHMXKJNPR-JTQLQIEISA-N 1 2 247.302 1.449 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ncccc1C ZINC000093172144 384216613 /nfs/dbraw/zinc/21/66/13/384216613.db2.gz NWCUPCDYBWDXCK-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ncccc1C ZINC000093172144 384216617 /nfs/dbraw/zinc/21/66/17/384216617.db2.gz NWCUPCDYBWDXCK-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153193749 384218202 /nfs/dbraw/zinc/21/82/02/384218202.db2.gz HNGCVQAZDWBERB-NQBHXWOUSA-N 1 2 247.342 1.750 20 0 BDADLO C(C[N@@H+]1CCOC[C@@]12CCOC2)OC1CCC1 ZINC000367863122 384226732 /nfs/dbraw/zinc/22/67/32/384226732.db2.gz MSTJXGCRVCQDKI-ZDUSSCGKSA-N 1 2 241.331 1.047 20 0 BDADLO C(C[N@H+]1CCOC[C@@]12CCOC2)OC1CCC1 ZINC000367863122 384226738 /nfs/dbraw/zinc/22/67/38/384226738.db2.gz MSTJXGCRVCQDKI-ZDUSSCGKSA-N 1 2 241.331 1.047 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000173499794 384227089 /nfs/dbraw/zinc/22/70/89/384227089.db2.gz RYJWZDSWXLTHHO-VIFPVBQESA-N 1 2 208.261 1.247 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000173499794 384227094 /nfs/dbraw/zinc/22/70/94/384227094.db2.gz RYJWZDSWXLTHHO-VIFPVBQESA-N 1 2 208.261 1.247 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2nncn2C)CCS1 ZINC000173864450 384229294 /nfs/dbraw/zinc/22/92/94/384229294.db2.gz ALRKGSGLXTYRRL-JTQLQIEISA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2nncn2C)CCS1 ZINC000173864450 384229299 /nfs/dbraw/zinc/22/92/99/384229299.db2.gz ALRKGSGLXTYRRL-JTQLQIEISA-N 1 2 240.376 1.389 20 0 BDADLO Cc1ccc(NC(=O)C2=COCCO2)c(C)[nH+]1 ZINC000119168748 384243108 /nfs/dbraw/zinc/24/31/08/384243108.db2.gz VSMDDEKIPKQBLQ-UHFFFAOYSA-N 1 2 234.255 1.525 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)nc1 ZINC000361173763 384261402 /nfs/dbraw/zinc/26/14/02/384261402.db2.gz MFBSYTJIUYNYKS-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)nc1 ZINC000361173763 384261411 /nfs/dbraw/zinc/26/14/11/384261411.db2.gz MFBSYTJIUYNYKS-JTQLQIEISA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)nc1 ZINC000361173764 384262878 /nfs/dbraw/zinc/26/28/78/384262878.db2.gz MFBSYTJIUYNYKS-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)nc1 ZINC000361173764 384262884 /nfs/dbraw/zinc/26/28/84/384262884.db2.gz MFBSYTJIUYNYKS-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000119384515 384268619 /nfs/dbraw/zinc/26/86/19/384268619.db2.gz RGKGMEUKDYEQLP-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000119384515 384268624 /nfs/dbraw/zinc/26/86/24/384268624.db2.gz RGKGMEUKDYEQLP-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000119480842 384276752 /nfs/dbraw/zinc/27/67/52/384276752.db2.gz IHPSGTWDIPPMOV-GHMZBOCLSA-N 1 2 236.319 1.323 20 0 BDADLO Cc1nnc(N[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000083584086 384314122 /nfs/dbraw/zinc/31/41/22/384314122.db2.gz LEIFYJVNOZZVCE-ZETCQYMHSA-N 1 2 223.305 1.544 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1csnn1 ZINC000401939982 384314035 /nfs/dbraw/zinc/31/40/35/384314035.db2.gz FMSQTZJWTOQURI-PRJMDXOYSA-N 1 2 213.306 1.366 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@H](C)C2)nc(N)[nH+]1 ZINC000304458024 384316202 /nfs/dbraw/zinc/31/62/02/384316202.db2.gz LQOHPRHZBMBANA-IONNQARKSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000304458024 384316210 /nfs/dbraw/zinc/31/62/10/384316210.db2.gz LQOHPRHZBMBANA-IONNQARKSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1ccc([C@@H](O)C[NH2+]Cc2csnn2)o1 ZINC000133290298 384282426 /nfs/dbraw/zinc/28/24/26/384282426.db2.gz IMZYMEMRVHQLDX-VIFPVBQESA-N 1 2 239.300 1.263 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000119615524 384290684 /nfs/dbraw/zinc/29/06/84/384290684.db2.gz FKFNENKXBWRJOY-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000119615524 384290689 /nfs/dbraw/zinc/29/06/89/384290689.db2.gz FKFNENKXBWRJOY-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cscn1 ZINC000134619193 384373655 /nfs/dbraw/zinc/37/36/55/384373655.db2.gz UCAVZYNVMRZGJN-QMMMGPOBSA-N 1 2 239.344 1.320 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558865297 384345528 /nfs/dbraw/zinc/34/55/28/384345528.db2.gz HHTNSBZUQZYDGL-QMMMGPOBSA-N 1 2 231.246 1.234 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558865297 384345536 /nfs/dbraw/zinc/34/55/36/384345536.db2.gz HHTNSBZUQZYDGL-QMMMGPOBSA-N 1 2 231.246 1.234 20 0 BDADLO Cn1cc[nH+]c1CN1CC[C@H](OC(F)F)C1 ZINC000558865297 384345538 /nfs/dbraw/zinc/34/55/38/384345538.db2.gz HHTNSBZUQZYDGL-QMMMGPOBSA-N 1 2 231.246 1.234 20 0 BDADLO Cc1nc(C[N@@H+]2CCS[C@H](C(C)C)C2)no1 ZINC000076063990 384355870 /nfs/dbraw/zinc/35/58/70/384355870.db2.gz UZGDRHFQVMXRHL-JTQLQIEISA-N 1 2 241.360 1.951 20 0 BDADLO Cc1nc(C[N@H+]2CCS[C@H](C(C)C)C2)no1 ZINC000076063990 384355875 /nfs/dbraw/zinc/35/58/75/384355875.db2.gz UZGDRHFQVMXRHL-JTQLQIEISA-N 1 2 241.360 1.951 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000332673326 384328260 /nfs/dbraw/zinc/32/82/60/384328260.db2.gz IOSZCMQMXKUYCT-RKDXNWHRSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](O)C[C@H]2C)no1 ZINC000332673326 384328265 /nfs/dbraw/zinc/32/82/65/384328265.db2.gz IOSZCMQMXKUYCT-RKDXNWHRSA-N 1 2 225.292 1.148 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000304494377 384328447 /nfs/dbraw/zinc/32/84/47/384328447.db2.gz PPRHVQYTHAOLGC-CBAPKCEASA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC[C@H](C)C2)[nH+]1 ZINC000304494377 384328454 /nfs/dbraw/zinc/32/84/54/384328454.db2.gz PPRHVQYTHAOLGC-CBAPKCEASA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(NCC2(C)CCCC2)nc(N)[nH+]1 ZINC000304482452 384328893 /nfs/dbraw/zinc/32/88/93/384328893.db2.gz ONOAIRWTJOIBJU-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO Cc1nc(N)nc(NCC2(C)CCCC2)[nH+]1 ZINC000304482452 384328897 /nfs/dbraw/zinc/32/88/97/384328897.db2.gz ONOAIRWTJOIBJU-UHFFFAOYSA-N 1 2 221.308 1.754 20 0 BDADLO C[C@]1(C(=O)Nc2ccn3cc[nH+]c3c2)CCOC1 ZINC000333802177 384331803 /nfs/dbraw/zinc/33/18/03/384331803.db2.gz DLVCLRURLDPFCG-ZDUSSCGKSA-N 1 2 245.282 1.699 20 0 BDADLO Cc1cc(C[N@@H+](C)CCC(=O)OC(C)C)no1 ZINC000075624657 384333044 /nfs/dbraw/zinc/33/30/44/384333044.db2.gz LWBUTRNRRXVJNR-UHFFFAOYSA-N 1 2 240.303 1.757 20 0 BDADLO Cc1cc(C[N@H+](C)CCC(=O)OC(C)C)no1 ZINC000075624657 384333047 /nfs/dbraw/zinc/33/30/47/384333047.db2.gz LWBUTRNRRXVJNR-UHFFFAOYSA-N 1 2 240.303 1.757 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2nc[nH+]c(N)c2Cl)C1 ZINC000286418825 384415432 /nfs/dbraw/zinc/41/54/32/384415432.db2.gz QVOZRHISRGYUJX-KNVOCYPGSA-N 1 2 242.710 1.326 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2[nH+]cnc(N)c2Cl)C1 ZINC000286418825 384415440 /nfs/dbraw/zinc/41/54/40/384415440.db2.gz QVOZRHISRGYUJX-KNVOCYPGSA-N 1 2 242.710 1.326 20 0 BDADLO Cc1nnc(CC[NH2+][C@H](C)c2nccs2)[nH]1 ZINC000134712461 384380455 /nfs/dbraw/zinc/38/04/55/384380455.db2.gz CNYGWXRNUQIWCD-SSDOTTSWSA-N 1 2 237.332 1.463 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120811542 384383631 /nfs/dbraw/zinc/38/36/31/384383631.db2.gz XFOXTHLTNZYVGG-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nc(NCc2nnc(C3CC3)s2)cc[nH+]1 ZINC000560864471 384389672 /nfs/dbraw/zinc/38/96/72/384389672.db2.gz XJSOTBAUKWRPDY-UHFFFAOYSA-N 1 2 247.327 1.548 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCc1ccnn1C ZINC000121942879 384448529 /nfs/dbraw/zinc/44/85/29/384448529.db2.gz NFULGYFWXUCMNG-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1csc(C2CC2)n1 ZINC000135602353 384452636 /nfs/dbraw/zinc/45/26/36/384452636.db2.gz DEGUTPIRSAPACZ-QMMMGPOBSA-N 1 2 226.345 1.833 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000135602353 384452644 /nfs/dbraw/zinc/45/26/44/384452644.db2.gz DEGUTPIRSAPACZ-QMMMGPOBSA-N 1 2 226.345 1.833 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccc(N)nc2)no1 ZINC000647513956 384428322 /nfs/dbraw/zinc/42/83/22/384428322.db2.gz XWSLSEUJSJWPPO-UHFFFAOYSA-N 1 2 232.287 1.423 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccc(N)nc2)no1 ZINC000647513956 384428327 /nfs/dbraw/zinc/42/83/27/384428327.db2.gz XWSLSEUJSJWPPO-UHFFFAOYSA-N 1 2 232.287 1.423 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCSC1 ZINC000135657946 384459667 /nfs/dbraw/zinc/45/96/67/384459667.db2.gz BHTRNCGNSYXGLF-MRVPVSSYSA-N 1 2 249.343 1.671 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CC(F)(F)F ZINC000122250281 384470066 /nfs/dbraw/zinc/47/00/66/384470066.db2.gz QUXKSNTYDHJTQX-UHFFFAOYSA-N 1 2 235.209 1.331 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000600968940 384472561 /nfs/dbraw/zinc/47/25/61/384472561.db2.gz OEVFDQATYMLKGD-LLVKDONJSA-N 1 2 248.330 1.132 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000600968940 384472567 /nfs/dbraw/zinc/47/25/67/384472567.db2.gz OEVFDQATYMLKGD-LLVKDONJSA-N 1 2 248.330 1.132 20 0 BDADLO CC(C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047599288 384459046 /nfs/dbraw/zinc/45/90/46/384459046.db2.gz VKAZBBXNZFPGOH-NSHDSACASA-N 1 2 238.335 1.617 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2cccs2)c1 ZINC000170209038 384499728 /nfs/dbraw/zinc/49/97/28/384499728.db2.gz RPVUUKZBJRQMMG-UHFFFAOYSA-N 1 2 235.312 1.454 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CC(C)C1 ZINC000561115908 384505079 /nfs/dbraw/zinc/50/50/79/384505079.db2.gz MTAFTEKWQDGHPA-SSDOTTSWSA-N 1 2 224.226 1.005 20 0 BDADLO COc1ccc(N[C@@H]2CO[C@@H](C)C2)[nH+]c1 ZINC000402134908 384506030 /nfs/dbraw/zinc/50/60/30/384506030.db2.gz IIVIJZREDRINRS-IUCAKERBSA-N 1 2 208.261 1.680 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCC1 ZINC000122861384 384517084 /nfs/dbraw/zinc/51/70/84/384517084.db2.gz VYOGAJGBQSLGFW-SECBINFHSA-N 1 2 222.292 1.123 20 0 BDADLO CCC[C@@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000556842060 384521451 /nfs/dbraw/zinc/52/14/51/384521451.db2.gz LYCUBUVCRCNYOR-MRVPVSSYSA-N 1 2 236.319 1.250 20 0 BDADLO CCC1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000565608810 384524565 /nfs/dbraw/zinc/52/45/65/384524565.db2.gz RBRBPSJXOCLLPF-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO CCC1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000565608810 384524568 /nfs/dbraw/zinc/52/45/68/384524568.db2.gz RBRBPSJXOCLLPF-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO CC[C@@H](NC(=O)[C@H](C)CSC)c1[nH]cc[nH+]1 ZINC000300774722 384531699 /nfs/dbraw/zinc/53/16/99/384531699.db2.gz KRQXMPFOGZVDAZ-RKDXNWHRSA-N 1 2 241.360 1.976 20 0 BDADLO CCc1cnc(C[N@H+](C)CCNC(C)=O)s1 ZINC000517644278 384533096 /nfs/dbraw/zinc/53/30/96/384533096.db2.gz GKIWOFKVJFHNQM-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO CCc1cnc(C[N@@H+](C)CCNC(C)=O)s1 ZINC000517644278 384533104 /nfs/dbraw/zinc/53/31/04/384533104.db2.gz GKIWOFKVJFHNQM-UHFFFAOYSA-N 1 2 241.360 1.273 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1ccncc1 ZINC000161997923 384555902 /nfs/dbraw/zinc/55/59/02/384555902.db2.gz SMPDBWVMBJGHGB-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cc1cc(NC[C@H]2CCCSC2)nc[nH+]1 ZINC000335885808 384556717 /nfs/dbraw/zinc/55/67/17/384556717.db2.gz ZSIQOZBMUSAROJ-SNVBAGLBSA-N 1 2 223.345 1.762 20 0 BDADLO COC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000080239151 384539790 /nfs/dbraw/zinc/53/97/90/384539790.db2.gz KPNCREXLBBKVBA-SNVBAGLBSA-N 1 2 221.260 1.480 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccc(OC)cc1 ZINC000049900403 384574224 /nfs/dbraw/zinc/57/42/24/384574224.db2.gz OWVPOMKQOVHQRZ-UHFFFAOYSA-N 1 2 237.299 1.343 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccc(OC)cc1 ZINC000049900403 384574228 /nfs/dbraw/zinc/57/42/28/384574228.db2.gz OWVPOMKQOVHQRZ-UHFFFAOYSA-N 1 2 237.299 1.343 20 0 BDADLO C[C@@H](Nc1cccc(-n2cc[nH+]c2)n1)[C@H](C)CO ZINC000363496117 384574783 /nfs/dbraw/zinc/57/47/83/384574783.db2.gz NJJXEELRLIKSBP-GHMZBOCLSA-N 1 2 246.314 1.118 20 0 BDADLO CCc1nc(N2CC(n3ccnc3)C2)cc(C)[nH+]1 ZINC000561233946 384582424 /nfs/dbraw/zinc/58/24/24/384582424.db2.gz QOBBUSFMSOOSPR-UHFFFAOYSA-N 1 2 243.314 1.605 20 0 BDADLO Cn1nncc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000123789039 384586003 /nfs/dbraw/zinc/58/60/03/384586003.db2.gz ALTIZBDWAJOLTE-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO Cn1nncc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000123789039 384586005 /nfs/dbraw/zinc/58/60/05/384586005.db2.gz ALTIZBDWAJOLTE-UHFFFAOYSA-N 1 2 246.289 1.513 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000050104516 384590235 /nfs/dbraw/zinc/59/02/35/384590235.db2.gz QDMLEVUTJOYVBH-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000050104516 384590238 /nfs/dbraw/zinc/59/02/38/384590238.db2.gz QDMLEVUTJOYVBH-VIFPVBQESA-N 1 2 237.303 1.151 20 0 BDADLO C[N@@H+](Cc1ccccc1F)CC1OCCO1 ZINC000172693179 384619798 /nfs/dbraw/zinc/61/97/98/384619798.db2.gz VBASBDJRJSYMNK-UHFFFAOYSA-N 1 2 225.263 1.630 20 0 BDADLO C[N@H+](Cc1ccccc1F)CC1OCCO1 ZINC000172693179 384619806 /nfs/dbraw/zinc/61/98/06/384619806.db2.gz VBASBDJRJSYMNK-UHFFFAOYSA-N 1 2 225.263 1.630 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC1OCCO1 ZINC000172691281 384620441 /nfs/dbraw/zinc/62/04/41/384620441.db2.gz KYUNHTLFQKEDDK-JTQLQIEISA-N 1 2 222.288 1.238 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC1OCCO1 ZINC000172691281 384620454 /nfs/dbraw/zinc/62/04/54/384620454.db2.gz KYUNHTLFQKEDDK-JTQLQIEISA-N 1 2 222.288 1.238 20 0 BDADLO Cc1csc(C[NH2+]Cc2ccc(CO)o2)n1 ZINC000081555538 384622806 /nfs/dbraw/zinc/62/28/06/384622806.db2.gz DCWJNLBCFQMZSX-UHFFFAOYSA-N 1 2 238.312 1.827 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000162463489 384626447 /nfs/dbraw/zinc/62/64/47/384626447.db2.gz LCNJBALICMIFNS-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000162463489 384626455 /nfs/dbraw/zinc/62/64/55/384626455.db2.gz LCNJBALICMIFNS-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647350686 384632009 /nfs/dbraw/zinc/63/20/09/384632009.db2.gz NQYHEIALXVUCFA-NRPADANISA-N 1 2 209.293 1.546 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1 ZINC000517957147 384599762 /nfs/dbraw/zinc/59/97/62/384599762.db2.gz NGIZBDAUFKFZFM-NSHDSACASA-N 1 2 243.310 1.905 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1 ZINC000517957147 384599768 /nfs/dbraw/zinc/59/97/68/384599768.db2.gz NGIZBDAUFKFZFM-NSHDSACASA-N 1 2 243.310 1.905 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC[C@@H](C)F ZINC000309636230 384672440 /nfs/dbraw/zinc/67/24/40/384672440.db2.gz JLZLOTURYYXSFQ-SSDOTTSWSA-N 1 2 223.255 1.616 20 0 BDADLO CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081929150 384641856 /nfs/dbraw/zinc/64/18/56/384641856.db2.gz YFJKBUYIPWMGCA-UHFFFAOYSA-N 1 2 243.310 1.762 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000124532918 384649211 /nfs/dbraw/zinc/64/92/11/384649211.db2.gz CWYURIMEIVVWPB-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000124532918 384649217 /nfs/dbraw/zinc/64/92/17/384649217.db2.gz CWYURIMEIVVWPB-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO CC(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000082275823 384657571 /nfs/dbraw/zinc/65/75/71/384657571.db2.gz LJWRNZLBFSPTIO-UHFFFAOYSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000497172575 384661255 /nfs/dbraw/zinc/66/12/55/384661255.db2.gz MHIBTNCKQWKZNH-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cnccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000497172575 384661260 /nfs/dbraw/zinc/66/12/60/384661260.db2.gz MHIBTNCKQWKZNH-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cc[nH+]c(NC[C@H]2COCCO2)c1Cl ZINC000309866280 384680060 /nfs/dbraw/zinc/68/00/60/384680060.db2.gz OSCQKUPEHOKDDP-VIFPVBQESA-N 1 2 242.706 1.871 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(C)n1 ZINC000368333498 384686712 /nfs/dbraw/zinc/68/67/12/384686712.db2.gz TZPIPSIJYIOXEM-OLZOCXBDSA-N 1 2 218.300 1.672 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(C)n1 ZINC000368333498 384686722 /nfs/dbraw/zinc/68/67/22/384686722.db2.gz TZPIPSIJYIOXEM-OLZOCXBDSA-N 1 2 218.300 1.672 20 0 BDADLO CCN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000101779551 384690362 /nfs/dbraw/zinc/69/03/62/384690362.db2.gz FAYZIKVXVJRTHZ-UHFFFAOYSA-N 1 2 246.314 1.538 20 0 BDADLO COC(=O)[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C1CC1 ZINC000300361579 384694666 /nfs/dbraw/zinc/69/46/66/384694666.db2.gz BDKDCRNUFVRTQI-MKPLZMMCSA-N 1 2 227.304 1.095 20 0 BDADLO C[N@@H+](Cc1ccccn1)C[C@H](O)C(F)(F)F ZINC000082680119 384700490 /nfs/dbraw/zinc/70/04/90/384700490.db2.gz ALYGXCRVJFDJMM-VIFPVBQESA-N 1 2 234.221 1.437 20 0 BDADLO C[N@H+](Cc1ccccn1)C[C@H](O)C(F)(F)F ZINC000082680119 384700496 /nfs/dbraw/zinc/70/04/96/384700496.db2.gz ALYGXCRVJFDJMM-VIFPVBQESA-N 1 2 234.221 1.437 20 0 BDADLO Clc1c[nH+]ccc1NCCc1nc[nH]n1 ZINC000086839380 384702164 /nfs/dbraw/zinc/70/21/64/384702164.db2.gz ZTOQTYHLPASIFQ-UHFFFAOYSA-N 1 2 223.667 1.508 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000162851215 384704109 /nfs/dbraw/zinc/70/41/09/384704109.db2.gz MYNSXBCILJVDBY-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000162851215 384704118 /nfs/dbraw/zinc/70/41/18/384704118.db2.gz MYNSXBCILJVDBY-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368341120 384704225 /nfs/dbraw/zinc/70/42/25/384704225.db2.gz WYGPBQRBKARWKI-KGLIPLIRSA-N 1 2 247.294 1.585 20 0 BDADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000368341120 384704235 /nfs/dbraw/zinc/70/42/35/384704235.db2.gz WYGPBQRBKARWKI-KGLIPLIRSA-N 1 2 247.294 1.585 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccc(OC)nc1 ZINC000051921262 384705806 /nfs/dbraw/zinc/70/58/06/384705806.db2.gz PMYOEFCNDFCJFK-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO Cc1occc1C[N@@H+](C)[C@@H]1CCOC1=O ZINC000102514641 384714396 /nfs/dbraw/zinc/71/43/96/384714396.db2.gz SPPIIQXHJKNQPC-SNVBAGLBSA-N 1 2 209.245 1.335 20 0 BDADLO Cc1occc1C[N@H+](C)[C@@H]1CCOC1=O ZINC000102514641 384714404 /nfs/dbraw/zinc/71/44/04/384714404.db2.gz SPPIIQXHJKNQPC-SNVBAGLBSA-N 1 2 209.245 1.335 20 0 BDADLO C/C=C(\C=C\C(=O)NCc1[nH]cc[nH+]1)CC ZINC000125377477 384714490 /nfs/dbraw/zinc/71/44/90/384714490.db2.gz GXRQFTRACZEJAF-OBNZYQAUSA-N 1 2 219.288 1.938 20 0 BDADLO CCc1ccc([C@H]2COCC[N@@H+]2CCOC)o1 ZINC000126116352 384773084 /nfs/dbraw/zinc/77/30/84/384773084.db2.gz PZFKBLCYYNCRFI-GFCCVEGCSA-N 1 2 239.315 1.862 20 0 BDADLO CCc1ccc([C@H]2COCC[N@H+]2CCOC)o1 ZINC000126116352 384773092 /nfs/dbraw/zinc/77/30/92/384773092.db2.gz PZFKBLCYYNCRFI-GFCCVEGCSA-N 1 2 239.315 1.862 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000185521577 384734229 /nfs/dbraw/zinc/73/42/29/384734229.db2.gz YIJOSEVCUPDTJO-YPMHNXCESA-N 1 2 235.331 1.682 20 0 BDADLO CSCCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000176713699 384743296 /nfs/dbraw/zinc/74/32/96/384743296.db2.gz OEMIAPYGBLOHIP-UHFFFAOYSA-N 1 2 249.339 1.769 20 0 BDADLO CC[C@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000125753290 384747543 /nfs/dbraw/zinc/74/75/43/384747543.db2.gz DLSMQTGELMWFMO-QMMMGPOBSA-N 1 2 240.332 1.209 20 0 BDADLO CC[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000125753290 384747550 /nfs/dbraw/zinc/74/75/50/384747550.db2.gz DLSMQTGELMWFMO-QMMMGPOBSA-N 1 2 240.332 1.209 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](CCC(F)(F)F)[C@@H]12 ZINC000363732394 384753551 /nfs/dbraw/zinc/75/35/51/384753551.db2.gz CMKNLRVKHVAODF-HTQZYQBOSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](CCC(F)(F)F)[C@@H]12 ZINC000363732394 384753559 /nfs/dbraw/zinc/75/35/59/384753559.db2.gz CMKNLRVKHVAODF-HTQZYQBOSA-N 1 2 237.221 1.576 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC000083351361 384762834 /nfs/dbraw/zinc/76/28/34/384762834.db2.gz LGGKEWMGEQWCDE-LLVKDONJSA-N 1 2 221.300 1.955 20 0 BDADLO Cc1cc(C)nc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000125975849 384763587 /nfs/dbraw/zinc/76/35/87/384763587.db2.gz ZQDILUSJRWLUTC-UHFFFAOYSA-N 1 2 245.286 1.743 20 0 BDADLO CCc1cc(N)nc(SCCCOC)[nH+]1 ZINC000279057802 384768015 /nfs/dbraw/zinc/76/80/15/384768015.db2.gz IEWMLFKBSIOWFB-UHFFFAOYSA-N 1 2 227.333 1.750 20 0 BDADLO Nc1[nH+]cnc(NC2CC(F)(F)C2)c1Cl ZINC000277959002 384837637 /nfs/dbraw/zinc/83/76/37/384837637.db2.gz YFDVZYMPSZBFEB-UHFFFAOYSA-N 1 2 234.637 1.922 20 0 BDADLO Nc1nc[nH+]c(NC2CC(F)(F)C2)c1Cl ZINC000277959002 384837645 /nfs/dbraw/zinc/83/76/45/384837645.db2.gz YFDVZYMPSZBFEB-UHFFFAOYSA-N 1 2 234.637 1.922 20 0 BDADLO C[C@H](C[S@@](C)=O)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000375896465 384828482 /nfs/dbraw/zinc/82/84/82/384828482.db2.gz XBLGIPGBJBDOGC-JFDMKLCPSA-N 1 2 241.360 1.144 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000303982069 384832258 /nfs/dbraw/zinc/83/22/58/384832258.db2.gz GBPITDCTIRENBU-DTWKUNHWSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](O)C2)o1 ZINC000303982069 384832262 /nfs/dbraw/zinc/83/22/62/384832262.db2.gz GBPITDCTIRENBU-DTWKUNHWSA-N 1 2 225.292 1.150 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000087479137 384795446 /nfs/dbraw/zinc/79/54/46/384795446.db2.gz LEHOHZJQAAHDGZ-LLVKDONJSA-N 1 2 209.293 1.233 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(F)c1 ZINC000104072692 384797614 /nfs/dbraw/zinc/79/76/14/384797614.db2.gz BAMHLBYVPGVKAJ-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(F)c1 ZINC000104072692 384797622 /nfs/dbraw/zinc/79/76/22/384797622.db2.gz BAMHLBYVPGVKAJ-UHFFFAOYSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1csc(Cl)n1 ZINC000294122100 384798562 /nfs/dbraw/zinc/79/85/62/384798562.db2.gz OCBSMYISPNDDEB-MRVPVSSYSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1csc(Cl)n1 ZINC000294122100 384798569 /nfs/dbraw/zinc/79/85/69/384798569.db2.gz OCBSMYISPNDDEB-MRVPVSSYSA-N 1 2 234.752 1.999 20 0 BDADLO O=C1OCC[C@H]1Sc1[nH+]cc2ccccn21 ZINC000026372718 384874336 /nfs/dbraw/zinc/87/43/36/384874336.db2.gz JUBBUDUBFBLIID-SECBINFHSA-N 1 2 234.280 1.742 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)no1 ZINC000105609367 384876053 /nfs/dbraw/zinc/87/60/53/384876053.db2.gz FOSCMVOEYUZIDZ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)no1 ZINC000105609367 384876061 /nfs/dbraw/zinc/87/60/61/384876061.db2.gz FOSCMVOEYUZIDZ-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccnc1 ZINC000186365378 384839324 /nfs/dbraw/zinc/83/93/24/384839324.db2.gz UZPRFMWZCRXPIS-CYBMUJFWSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccnc1 ZINC000186365378 384839327 /nfs/dbraw/zinc/83/93/27/384839327.db2.gz UZPRFMWZCRXPIS-CYBMUJFWSA-N 1 2 234.299 1.609 20 0 BDADLO COC1(C[NH2+][C@@H](C)C(=O)OC(C)C)CCCC1 ZINC000449660993 384841989 /nfs/dbraw/zinc/84/19/89/384841989.db2.gz HKBXFFNODBJHBZ-NSHDSACASA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@H]([NH2+][C@H](C)CSC)C(=O)OC ZINC000127286998 384855422 /nfs/dbraw/zinc/85/54/22/384855422.db2.gz IYBUZGQRDVVUDI-SFYZADRCSA-N 1 2 205.323 1.279 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cccnc1 ZINC000186670669 384864452 /nfs/dbraw/zinc/86/44/52/384864452.db2.gz USROJIAYNPOLAE-CYBMUJFWSA-N 1 2 232.283 1.363 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1cccnc1 ZINC000186670669 384864456 /nfs/dbraw/zinc/86/44/56/384864456.db2.gz USROJIAYNPOLAE-CYBMUJFWSA-N 1 2 232.283 1.363 20 0 BDADLO c1ccc(NCCOC[C@@H]2CCCO2)[nH+]c1 ZINC000301251125 384864499 /nfs/dbraw/zinc/86/44/99/384864499.db2.gz CBDGDIVWWLKZAK-NSHDSACASA-N 1 2 222.288 1.689 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1nccs1 ZINC000175092616 384865980 /nfs/dbraw/zinc/86/59/80/384865980.db2.gz HIFAQBOKIMZEJO-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1nccs1 ZINC000175092616 384865985 /nfs/dbraw/zinc/86/59/85/384865985.db2.gz HIFAQBOKIMZEJO-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO CCCC(=O)NCCCNc1cccc[nH+]1 ZINC000118724115 384898279 /nfs/dbraw/zinc/89/82/79/384898279.db2.gz NWXKQKKGACDXNU-UHFFFAOYSA-N 1 2 221.304 1.800 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NC1CCCC1 ZINC000127489180 384904817 /nfs/dbraw/zinc/90/48/17/384904817.db2.gz UVAHCMPDBFHUSC-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CCc1cc(N)nc(SCC(C)(C)O)[nH+]1 ZINC000279138868 384937218 /nfs/dbraw/zinc/93/72/18/384937218.db2.gz XTSGHXZIUJNUMI-UHFFFAOYSA-N 1 2 227.333 1.484 20 0 BDADLO CCCCNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000128020291 384979921 /nfs/dbraw/zinc/97/99/21/384979921.db2.gz JRADOSRZAJCEIT-LBPRGKRZSA-N 1 2 249.358 1.991 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000128020291 384979926 /nfs/dbraw/zinc/97/99/26/384979926.db2.gz JRADOSRZAJCEIT-LBPRGKRZSA-N 1 2 249.358 1.991 20 0 BDADLO CCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302529345 384999169 /nfs/dbraw/zinc/99/91/69/384999169.db2.gz DXWYKLAUYNHXJS-UHFFFAOYSA-N 1 2 220.280 1.158 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1cc[nH]c(=O)c1 ZINC000339458617 384999341 /nfs/dbraw/zinc/99/93/41/384999341.db2.gz VQJLFVPMLHGEIC-QMMMGPOBSA-N 1 2 218.260 1.361 20 0 BDADLO CC[C@@H](NC(=O)c1conc1C)c1[nH]cc[nH+]1 ZINC000402591132 385016658 /nfs/dbraw/zinc/01/66/58/385016658.db2.gz JXWWIOOPVIRFOE-SECBINFHSA-N 1 2 234.259 1.587 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCOC1 ZINC000107291216 384961736 /nfs/dbraw/zinc/96/17/36/384961736.db2.gz XDHAMBQFZSEMAZ-VIFPVBQESA-N 1 2 206.245 1.365 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCC1(OC)CCC1 ZINC000338959963 384962591 /nfs/dbraw/zinc/96/25/91/384962591.db2.gz HRRGLJCWXHRMHQ-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152285580 385048693 /nfs/dbraw/zinc/04/86/93/385048693.db2.gz KXXABLGQMVHBCU-GFCCVEGCSA-N 1 2 244.298 1.458 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152285580 385048702 /nfs/dbraw/zinc/04/87/02/385048702.db2.gz KXXABLGQMVHBCU-GFCCVEGCSA-N 1 2 244.298 1.458 20 0 BDADLO Cc1nnc2n1CC[N@@H+](Cc1cncc(C)c1)C2 ZINC000364141598 385051097 /nfs/dbraw/zinc/05/10/97/385051097.db2.gz DRKNNGCATDASTL-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nnc2n1CC[N@H+](Cc1cncc(C)c1)C2 ZINC000364141598 385051103 /nfs/dbraw/zinc/05/11/03/385051103.db2.gz DRKNNGCATDASTL-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000115577638 385063688 /nfs/dbraw/zinc/06/36/88/385063688.db2.gz CRRUPYRHMHIXOH-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)NC(C)(C)C ZINC000115577638 385063694 /nfs/dbraw/zinc/06/36/94/385063694.db2.gz CRRUPYRHMHIXOH-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)[nH]1 ZINC000644658611 385069057 /nfs/dbraw/zinc/06/90/57/385069057.db2.gz DYHRVNJOKGHRBI-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)[nH]1 ZINC000644658611 385069067 /nfs/dbraw/zinc/06/90/67/385069067.db2.gz DYHRVNJOKGHRBI-JTQLQIEISA-N 1 2 246.318 1.216 20 0 BDADLO COC(C)(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176385541 385077141 /nfs/dbraw/zinc/07/71/41/385077141.db2.gz BEKPXRSECHFJRX-SNVBAGLBSA-N 1 2 239.319 1.060 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2noc(C)n2)[C@H](C)C1 ZINC000407948350 385082181 /nfs/dbraw/zinc/08/21/81/385082181.db2.gz FZPDISIICURSSN-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2noc(C)n2)[C@H](C)C1 ZINC000407948350 385082186 /nfs/dbraw/zinc/08/21/86/385082186.db2.gz FZPDISIICURSSN-SCZZXKLOSA-N 1 2 225.292 1.377 20 0 BDADLO C[C@H]1CSC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000557585459 385024610 /nfs/dbraw/zinc/02/46/10/385024610.db2.gz KXDPGXYELAMPTG-WCBMZHEXSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@H]1CSC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000557585459 385024621 /nfs/dbraw/zinc/02/46/21/385024621.db2.gz KXDPGXYELAMPTG-WCBMZHEXSA-N 1 2 239.344 1.210 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000644620047 385027157 /nfs/dbraw/zinc/02/71/57/385027157.db2.gz ZQKKPYLTHGXGPQ-FGUAACIASA-N 1 2 245.326 1.906 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000644620047 385027168 /nfs/dbraw/zinc/02/71/68/385027168.db2.gz ZQKKPYLTHGXGPQ-FGUAACIASA-N 1 2 245.326 1.906 20 0 BDADLO COC[C@H](C)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309096380 385028809 /nfs/dbraw/zinc/02/88/09/385028809.db2.gz FAKVRAIVBTULAD-WCBMZHEXSA-N 1 2 209.293 1.412 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000336317825 385033790 /nfs/dbraw/zinc/03/37/90/385033790.db2.gz PZMJVLXSEKAAPZ-SFYZADRCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000336317825 385033799 /nfs/dbraw/zinc/03/37/99/385033799.db2.gz PZMJVLXSEKAAPZ-SFYZADRCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1N ZINC000156342808 385034711 /nfs/dbraw/zinc/03/47/11/385034711.db2.gz WHOQGGQLNVMOLJ-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc(F)c1N ZINC000156342808 385034715 /nfs/dbraw/zinc/03/47/15/385034715.db2.gz WHOQGGQLNVMOLJ-SECBINFHSA-N 1 2 224.279 1.629 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176189790 385036261 /nfs/dbraw/zinc/03/62/61/385036261.db2.gz JXCNAFODARZFMA-VHSXEESVSA-N 1 2 248.282 1.446 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCOC2)c(C)[nH+]1 ZINC000176204780 385041478 /nfs/dbraw/zinc/04/14/78/385041478.db2.gz FQLJIXGQOKMRKJ-JTQLQIEISA-N 1 2 220.272 1.673 20 0 BDADLO CCC[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)OCC ZINC000312989243 385046492 /nfs/dbraw/zinc/04/64/92/385046492.db2.gz KQJHRNAAIHUGGB-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@H](C)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000189046823 385116808 /nfs/dbraw/zinc/11/68/08/385116808.db2.gz NXOQLUVBBRFIMT-SNVBAGLBSA-N 1 2 247.298 1.028 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](O)C2)cs1 ZINC000061709151 385135326 /nfs/dbraw/zinc/13/53/26/385135326.db2.gz IHFADVQPKSNMMO-JTQLQIEISA-N 1 2 226.345 1.662 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](O)C2)cs1 ZINC000061709151 385135333 /nfs/dbraw/zinc/13/53/33/385135333.db2.gz IHFADVQPKSNMMO-JTQLQIEISA-N 1 2 226.345 1.662 20 0 BDADLO O=c1[nH]nc(C[NH+]2CCC(C3CC3)CC2)[nH]1 ZINC000644718102 385135979 /nfs/dbraw/zinc/13/59/79/385135979.db2.gz DWZRVPFIDKXPHS-UHFFFAOYSA-N 1 2 222.292 1.132 20 0 BDADLO CC(C)[C@H](C)[S@@](=O)Cc1[nH+]ccn1C ZINC000129316130 385137475 /nfs/dbraw/zinc/13/74/75/385137475.db2.gz ZNEVDQQQNJEFFA-LKFCYVNXSA-N 1 2 214.334 1.713 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000189261438 385137527 /nfs/dbraw/zinc/13/75/27/385137527.db2.gz OQCXICFESBDONL-QWRGUYRKSA-N 1 2 249.314 1.671 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)ncn1 ZINC000644682197 385096800 /nfs/dbraw/zinc/09/68/00/385096800.db2.gz ODNWVUKVWYOXOZ-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)ncn1 ZINC000644682197 385096807 /nfs/dbraw/zinc/09/68/07/385096807.db2.gz ODNWVUKVWYOXOZ-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO CC1=CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000292023665 385104574 /nfs/dbraw/zinc/10/45/74/385104574.db2.gz PNTYUCFGRHCZOK-UHFFFAOYSA-N 1 2 234.303 1.282 20 0 BDADLO COC1(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000648320121 385184965 /nfs/dbraw/zinc/18/49/65/385184965.db2.gz PRMIFDNYMSYRNT-UHFFFAOYSA-N 1 2 220.272 1.816 20 0 BDADLO C[N@H+](CCOc1ccccc1)Cc1ncc[nH]1 ZINC000109825199 385193521 /nfs/dbraw/zinc/19/35/21/385193521.db2.gz RGQMZVAXXPPNCH-UHFFFAOYSA-N 1 2 231.299 1.921 20 0 BDADLO C[N@@H+](CCOc1ccccc1)Cc1ncc[nH]1 ZINC000109825199 385193530 /nfs/dbraw/zinc/19/35/30/385193530.db2.gz RGQMZVAXXPPNCH-UHFFFAOYSA-N 1 2 231.299 1.921 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCCCO1 ZINC000109833041 385193802 /nfs/dbraw/zinc/19/38/02/385193802.db2.gz GRTGOQKTTVZQRV-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCCCO1 ZINC000109833041 385193809 /nfs/dbraw/zinc/19/38/09/385193809.db2.gz GRTGOQKTTVZQRV-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000310650794 385144141 /nfs/dbraw/zinc/14/41/41/385144141.db2.gz XPVBEJAQYKISKQ-UHFFFAOYSA-N 1 2 249.318 1.754 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000151984699 385145047 /nfs/dbraw/zinc/14/50/47/385145047.db2.gz OJCKGVCJDMNMTP-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000151984699 385145054 /nfs/dbraw/zinc/14/50/54/385145054.db2.gz OJCKGVCJDMNMTP-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO CC[N@H+](C/C=C/Cl)C[C@@H](O)C(F)(F)F ZINC000189480088 385158995 /nfs/dbraw/zinc/15/89/95/385158995.db2.gz YLRBMLFHFLAAAV-KGGZQZJCSA-N 1 2 231.645 1.984 20 0 BDADLO CC[N@@H+](C/C=C/Cl)C[C@@H](O)C(F)(F)F ZINC000189480088 385158999 /nfs/dbraw/zinc/15/89/99/385158999.db2.gz YLRBMLFHFLAAAV-KGGZQZJCSA-N 1 2 231.645 1.984 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCCCO1 ZINC000189560317 385164079 /nfs/dbraw/zinc/16/40/79/385164079.db2.gz LPZHCYHQJCWJRG-UHFFFAOYSA-N 1 2 231.255 1.502 20 0 BDADLO Cc1ccc(NC(=O)N(C)C[C@@H](C)O)c(C)[nH+]1 ZINC000152207313 385165172 /nfs/dbraw/zinc/16/51/72/385165172.db2.gz JNBDSEQLYCIJJC-SECBINFHSA-N 1 2 237.303 1.543 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)C[C@H]1CCCO1 ZINC000189633497 385173913 /nfs/dbraw/zinc/17/39/13/385173913.db2.gz JDLYJGRPTNKHAV-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000189633497 385173920 /nfs/dbraw/zinc/17/39/20/385173920.db2.gz JDLYJGRPTNKHAV-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](C)O1 ZINC000110110711 385210930 /nfs/dbraw/zinc/21/09/30/385210930.db2.gz CHBFTAQHYJHEAZ-AOOOYVTPSA-N 1 2 233.315 1.968 20 0 BDADLO CO[C@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000190170497 385214708 /nfs/dbraw/zinc/21/47/08/385214708.db2.gz ISGBQDGJOFTBKJ-SECBINFHSA-N 1 2 223.276 1.546 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@H]1CO ZINC000190173768 385214828 /nfs/dbraw/zinc/21/48/28/385214828.db2.gz MFIOJNUVAXDWBJ-JOYOIKCWSA-N 1 2 249.314 1.625 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000110127487 385216304 /nfs/dbraw/zinc/21/63/04/385216304.db2.gz OTVZKRYYZGKGFC-NSHDSACASA-N 1 2 233.315 1.969 20 0 BDADLO CC(C)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152859618 385220435 /nfs/dbraw/zinc/22/04/35/385220435.db2.gz DNGUIJGTNRTIKZ-GFCCVEGCSA-N 1 2 247.342 1.823 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ncc(CC)o1 ZINC000556312441 385221409 /nfs/dbraw/zinc/22/14/09/385221409.db2.gz WTWFOURBILFTTM-GHMZBOCLSA-N 1 2 240.303 1.131 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1ncc(C)o1 ZINC000190284403 385225570 /nfs/dbraw/zinc/22/55/70/385225570.db2.gz LTPMXNAQLPZLJS-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1ncc(C)o1 ZINC000190284403 385225572 /nfs/dbraw/zinc/22/55/72/385225572.db2.gz LTPMXNAQLPZLJS-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CCOCCOCC[N@H+](C)Cc1nccs1 ZINC000190287826 385228821 /nfs/dbraw/zinc/22/88/21/385228821.db2.gz RLVWNLGNDYIXAH-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO CCOCCOCC[N@@H+](C)Cc1nccs1 ZINC000190287826 385228826 /nfs/dbraw/zinc/22/88/26/385228826.db2.gz RLVWNLGNDYIXAH-UHFFFAOYSA-N 1 2 244.360 1.628 20 0 BDADLO CCc1cnc(COCc2[nH]cc[nH+]2)o1 ZINC000559922164 385232967 /nfs/dbraw/zinc/23/29/67/385232967.db2.gz KZADXLNZMOSUNX-UHFFFAOYSA-N 1 2 207.233 1.677 20 0 BDADLO CC1(C(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000290918557 385257578 /nfs/dbraw/zinc/25/75/78/385257578.db2.gz KBGVFTVHACHJHQ-UHFFFAOYSA-N 1 2 219.288 1.416 20 0 BDADLO CC(C)n1cc[nH+]c1CSC[C@@H](O)CO ZINC000177437383 385241741 /nfs/dbraw/zinc/24/17/41/385241741.db2.gz XCFQPWKEVPNYLX-VIFPVBQESA-N 1 2 230.333 1.050 20 0 BDADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(F)cc1 ZINC000152686272 385203892 /nfs/dbraw/zinc/20/38/92/385203892.db2.gz WLLUKCSQMFUKCX-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CCC(CC)C[N@H+]1CC(=O)N(C2CC2)C1 ZINC000448284147 385307824 /nfs/dbraw/zinc/30/78/24/385307824.db2.gz RWHXSWKWLZIPIY-UHFFFAOYSA-N 1 2 210.321 1.687 20 0 BDADLO CCC(CC)C[N@@H+]1CC(=O)N(C2CC2)C1 ZINC000448284147 385307831 /nfs/dbraw/zinc/30/78/31/385307831.db2.gz RWHXSWKWLZIPIY-UHFFFAOYSA-N 1 2 210.321 1.687 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000154286304 385315407 /nfs/dbraw/zinc/31/54/07/385315407.db2.gz YBALYRBUZLTIMW-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154286304 385315415 /nfs/dbraw/zinc/31/54/15/385315415.db2.gz YBALYRBUZLTIMW-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC2(CCC2)C1 ZINC000154286304 385315418 /nfs/dbraw/zinc/31/54/18/385315418.db2.gz YBALYRBUZLTIMW-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cncs1 ZINC000131196714 385315969 /nfs/dbraw/zinc/31/59/69/385315969.db2.gz UPWSRERKIZSABB-RTHLEPHNSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cncs1 ZINC000131196714 385315976 /nfs/dbraw/zinc/31/59/76/385315976.db2.gz UPWSRERKIZSABB-RTHLEPHNSA-N 1 2 232.374 1.342 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1ncc[nH]1 ZINC000164847115 385316205 /nfs/dbraw/zinc/31/62/05/385316205.db2.gz HALYNSIMJOIUSC-UHFFFAOYSA-N 1 2 219.292 1.306 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000157940048 385317402 /nfs/dbraw/zinc/31/74/02/385317402.db2.gz VXBBZTYRMLPJRH-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000157940048 385317406 /nfs/dbraw/zinc/31/74/06/385317406.db2.gz VXBBZTYRMLPJRH-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@@](C)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000308969145 385320484 /nfs/dbraw/zinc/32/04/84/385320484.db2.gz XXUMQOWERUOVHZ-LLVKDONJSA-N 1 2 217.309 1.079 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccnn1C)c1ccco1 ZINC000177577604 385263420 /nfs/dbraw/zinc/26/34/20/385263420.db2.gz ODWGBCYLUKBNNM-LLVKDONJSA-N 1 2 235.287 1.490 20 0 BDADLO COc1ccc(Cc2noc(C[NH+](C)C)n2)cc1 ZINC000190916022 385270157 /nfs/dbraw/zinc/27/01/57/385270157.db2.gz AYXIWEWULZCCMY-UHFFFAOYSA-N 1 2 247.298 1.731 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1CCSC1 ZINC000130636522 385272399 /nfs/dbraw/zinc/27/23/99/385272399.db2.gz YEDGPDDAUNOLPQ-JTQLQIEISA-N 1 2 211.334 1.655 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CCSC1 ZINC000130636522 385272402 /nfs/dbraw/zinc/27/24/02/385272402.db2.gz YEDGPDDAUNOLPQ-JTQLQIEISA-N 1 2 211.334 1.655 20 0 BDADLO C[C@H](F)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000356640586 385282477 /nfs/dbraw/zinc/28/24/77/385282477.db2.gz DPRJSKHZXCLPGR-QMMMGPOBSA-N 1 2 213.256 1.207 20 0 BDADLO C[C@H](F)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000356640586 385282482 /nfs/dbraw/zinc/28/24/82/385282482.db2.gz DPRJSKHZXCLPGR-QMMMGPOBSA-N 1 2 213.256 1.207 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H](C3CC3)C2)c1 ZINC000400121047 385291540 /nfs/dbraw/zinc/29/15/40/385291540.db2.gz MVHSSBKMFKRPJR-GFCCVEGCSA-N 1 2 218.300 1.810 20 0 BDADLO COC[C@H](CC(C)C)[NH2+][C@@H](C)C(=O)OC ZINC000308922894 385294035 /nfs/dbraw/zinc/29/40/35/385294035.db2.gz HMHSDQVSXJYPNC-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@H](c1nncn1C)[N@H+](C)Cc1cccc(O)c1 ZINC000558095429 385299308 /nfs/dbraw/zinc/29/93/08/385299308.db2.gz GROUQTMIYCLGHB-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+](C)Cc1cccc(O)c1 ZINC000558095429 385299313 /nfs/dbraw/zinc/29/93/13/385299313.db2.gz GROUQTMIYCLGHB-SNVBAGLBSA-N 1 2 246.314 1.714 20 0 BDADLO CN(C)c1cccc(C[NH2+]Cc2cocn2)n1 ZINC000192336949 385352353 /nfs/dbraw/zinc/35/23/53/385352353.db2.gz WEHJSSPJAOPXCB-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccsc1)C(=O)OC ZINC000168327700 385353888 /nfs/dbraw/zinc/35/38/88/385353888.db2.gz QRYDITBGDYJPPW-SNVBAGLBSA-N 1 2 227.329 1.832 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(F)cc1O ZINC000179004647 385356880 /nfs/dbraw/zinc/35/68/80/385356880.db2.gz JELGCSNRGQUMRX-UHFFFAOYSA-N 1 2 249.245 1.227 20 0 BDADLO C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000178387107 385362978 /nfs/dbraw/zinc/36/29/78/385362978.db2.gz IHKOGZPPWYKYEE-JTQLQIEISA-N 1 2 243.310 1.997 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(C)nc2)no1 ZINC000158209186 385363923 /nfs/dbraw/zinc/36/39/23/385363923.db2.gz HZYMLUHJJBNBIK-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CC[C@H]([NH2+]CCC(F)(F)F)C(=O)OC ZINC000168351310 385365218 /nfs/dbraw/zinc/36/52/18/385365218.db2.gz NHWYOVWSVSAXMI-LURJTMIESA-N 1 2 213.199 1.480 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCCCS1)C(=O)OC ZINC000168389062 385369316 /nfs/dbraw/zinc/36/93/16/385369316.db2.gz YAJYDFXMNZCDNF-ZJUUUORDSA-N 1 2 231.361 1.813 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)C)C(=O)OC ZINC000192853709 385375074 /nfs/dbraw/zinc/37/50/74/385375074.db2.gz VTOKRUSVFYBPHT-VHSXEESVSA-N 1 2 245.319 1.115 20 0 BDADLO CC[N@@H+](Cc1csnn1)C[C@H]1CCCO1 ZINC000179573785 385377240 /nfs/dbraw/zinc/37/72/40/385377240.db2.gz LKHVSMYYWNAKND-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@H+](Cc1csnn1)C[C@H]1CCCO1 ZINC000179573785 385377248 /nfs/dbraw/zinc/37/72/48/385377248.db2.gz LKHVSMYYWNAKND-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO C[C@H](CCO)CCNc1[nH+]cnc2c1cnn2C ZINC000295013081 385378595 /nfs/dbraw/zinc/37/85/95/385378595.db2.gz TYFVOYTYCUGRTN-VIFPVBQESA-N 1 2 249.318 1.184 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158022802 385326189 /nfs/dbraw/zinc/32/61/89/385326189.db2.gz QPUBEUFYNCWLGY-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000158022802 385326194 /nfs/dbraw/zinc/32/61/94/385326194.db2.gz QPUBEUFYNCWLGY-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO Cc1c([C@@H](C)[NH2+]Cc2ccon2)cnn1C ZINC000180704437 385393833 /nfs/dbraw/zinc/39/38/33/385393833.db2.gz UCYIGPRCCYSGCH-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000193371485 385395120 /nfs/dbraw/zinc/39/51/20/385395120.db2.gz SXKJOXBXPHTIJA-SNVBAGLBSA-N 1 2 223.324 1.222 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000193371485 385395122 /nfs/dbraw/zinc/39/51/22/385395122.db2.gz SXKJOXBXPHTIJA-SNVBAGLBSA-N 1 2 223.324 1.222 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000644041532 385395139 /nfs/dbraw/zinc/39/51/39/385395139.db2.gz RSSDKSBWLBFOFX-PSASIEDQSA-N 1 2 241.360 1.790 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](CC)C2)cn1 ZINC000193664884 385407355 /nfs/dbraw/zinc/40/73/55/385407355.db2.gz GXIYRCIPVIIQGX-GFCCVEGCSA-N 1 2 221.304 1.594 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](CC)C2)cn1 ZINC000193664884 385407356 /nfs/dbraw/zinc/40/73/56/385407356.db2.gz GXIYRCIPVIIQGX-GFCCVEGCSA-N 1 2 221.304 1.594 20 0 BDADLO c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)nc1 ZINC000193709442 385409484 /nfs/dbraw/zinc/40/94/84/385409484.db2.gz WTVPEQXSEDNUQT-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)nc1 ZINC000193709442 385409489 /nfs/dbraw/zinc/40/94/89/385409489.db2.gz WTVPEQXSEDNUQT-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000364396165 385411091 /nfs/dbraw/zinc/41/10/91/385411091.db2.gz CJAWOJOHCXJBRW-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1nc(N2C[C@H](O)C3(CC3)C2)c(C)c(C)[nH+]1 ZINC000364414966 385426345 /nfs/dbraw/zinc/42/63/45/385426345.db2.gz HMBKBXZBWFIWAN-NSHDSACASA-N 1 2 233.315 1.363 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CC1(C)C ZINC000492827227 385443171 /nfs/dbraw/zinc/44/31/71/385443171.db2.gz WQEGRJDKJKKVAT-YEZKRMTDSA-N 1 2 219.288 1.680 20 0 BDADLO CC[C@H]([NH2+]CCC1(F)CCC1)C(=O)OC ZINC000309163864 385444526 /nfs/dbraw/zinc/44/45/26/385444526.db2.gz IBHQDWURHBQSCZ-VIFPVBQESA-N 1 2 217.284 1.810 20 0 BDADLO CCN(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000170865106 385451436 /nfs/dbraw/zinc/45/14/36/385451436.db2.gz AVXNFGMSCRNBLL-UHFFFAOYSA-N 1 2 229.283 1.959 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](C)O)o1 ZINC000194951711 385453005 /nfs/dbraw/zinc/45/30/05/385453005.db2.gz SEFZXDTZBFEIBS-MWLCHTKSSA-N 1 2 225.288 1.342 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](C)O)o1 ZINC000194951711 385453008 /nfs/dbraw/zinc/45/30/08/385453008.db2.gz SEFZXDTZBFEIBS-MWLCHTKSSA-N 1 2 225.288 1.342 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000194951327 385453105 /nfs/dbraw/zinc/45/31/05/385453105.db2.gz RYSWFSLQDOSUQZ-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000194951327 385453108 /nfs/dbraw/zinc/45/31/08/385453108.db2.gz RYSWFSLQDOSUQZ-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](C)O)o1 ZINC000194951698 385453419 /nfs/dbraw/zinc/45/34/19/385453419.db2.gz SEFZXDTZBFEIBS-KOLCDFICSA-N 1 2 225.288 1.342 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](C)O)o1 ZINC000194951698 385453422 /nfs/dbraw/zinc/45/34/22/385453422.db2.gz SEFZXDTZBFEIBS-KOLCDFICSA-N 1 2 225.288 1.342 20 0 BDADLO Cn1ccnc1SCc1cc[nH+]c(N)c1 ZINC000052755911 385457002 /nfs/dbraw/zinc/45/70/02/385457002.db2.gz RIYLYCBGRAVCGL-UHFFFAOYSA-N 1 2 220.301 1.690 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000155991211 385427552 /nfs/dbraw/zinc/42/75/52/385427552.db2.gz JBYNOIXZSLWXTA-UWVGGRQHSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000155991211 385427553 /nfs/dbraw/zinc/42/75/53/385427553.db2.gz JBYNOIXZSLWXTA-UWVGGRQHSA-N 1 2 224.304 1.901 20 0 BDADLO C[C@H](O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000114710043 385436602 /nfs/dbraw/zinc/43/66/02/385436602.db2.gz TYHJIRLFADQUKP-QMMMGPOBSA-N 1 2 207.277 1.537 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000179394599 385465133 /nfs/dbraw/zinc/46/51/33/385465133.db2.gz NZRUQPLBJGJKLM-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000179394599 385465134 /nfs/dbraw/zinc/46/51/34/385465134.db2.gz NZRUQPLBJGJKLM-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000179395379 385465265 /nfs/dbraw/zinc/46/52/65/385465265.db2.gz VBNHYZVRRHLDLP-UHFFFAOYSA-N 1 2 235.283 1.226 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000179395379 385465268 /nfs/dbraw/zinc/46/52/68/385465268.db2.gz VBNHYZVRRHLDLP-UHFFFAOYSA-N 1 2 235.283 1.226 20 0 BDADLO CCCn1ncnc1C[NH+]1CCCCC1 ZINC000336720211 385465401 /nfs/dbraw/zinc/46/54/01/385465401.db2.gz ZPUWWYDMDRKXEP-UHFFFAOYSA-N 1 2 208.309 1.674 20 0 BDADLO C[C@@H](CO)[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179425144 385465585 /nfs/dbraw/zinc/46/55/85/385465585.db2.gz GGJAEHATOGQYTI-UWVGGRQHSA-N 1 2 247.298 1.081 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000182725542 385471951 /nfs/dbraw/zinc/47/19/51/385471951.db2.gz SVBHQAPKLAREGV-NSHDSACASA-N 1 2 243.310 1.872 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077901341 385472670 /nfs/dbraw/zinc/47/26/70/385472670.db2.gz XGHCKWAVZNSTTL-AXFHLTTASA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077901341 385472674 /nfs/dbraw/zinc/47/26/74/385472674.db2.gz XGHCKWAVZNSTTL-AXFHLTTASA-N 1 2 229.320 1.437 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cocn1 ZINC000378716194 385478116 /nfs/dbraw/zinc/47/81/16/385478116.db2.gz ZQIZGKQZTXGEPN-UHFFFAOYSA-N 1 2 207.233 1.515 20 0 BDADLO CN(CC[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891922 385458892 /nfs/dbraw/zinc/45/88/92/385458892.db2.gz DGQHSGOYYHQBNW-RXNFCKPNSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](CC)Cc1ccccn1 ZINC000179369118 385462786 /nfs/dbraw/zinc/46/27/86/385462786.db2.gz XTPFREDMOOXGAM-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccccn1 ZINC000179369118 385462791 /nfs/dbraw/zinc/46/27/91/385462791.db2.gz XTPFREDMOOXGAM-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO CS[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000109889908 385490587 /nfs/dbraw/zinc/49/05/87/385490587.db2.gz BJSFCBXXXIPGAW-LURJTMIESA-N 1 2 212.274 1.477 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179779535 385490605 /nfs/dbraw/zinc/49/06/05/385490605.db2.gz SPYFROYCBSFZDJ-VIFPVBQESA-N 1 2 245.282 1.432 20 0 BDADLO Cc1occc1C(=O)Nc1cc[nH+]cc1O ZINC000109889138 385490949 /nfs/dbraw/zinc/49/09/49/385490949.db2.gz UIWOCBDXXDIUTR-UHFFFAOYSA-N 1 2 218.212 1.941 20 0 BDADLO CC(C)COCCC(=O)Nc1cc[nH+]cc1O ZINC000109889676 385491386 /nfs/dbraw/zinc/49/13/86/385491386.db2.gz IJLZSDWNMGZGCW-UHFFFAOYSA-N 1 2 238.287 1.788 20 0 BDADLO COC(=O)c1coc(COCc2[nH]cc[nH+]2)c1 ZINC000180026744 385504378 /nfs/dbraw/zinc/50/43/78/385504378.db2.gz VCCDWGUOUKVSSP-UHFFFAOYSA-N 1 2 236.227 1.506 20 0 BDADLO CCc1cc(N)nc(SCC(=O)C(F)F)[nH+]1 ZINC000282114074 385507433 /nfs/dbraw/zinc/50/74/33/385507433.db2.gz KAKHLZLMYWWVRH-UHFFFAOYSA-N 1 2 247.270 1.548 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C\[C@@H]1CCOC1 ZINC000493072728 385512353 /nfs/dbraw/zinc/51/23/53/385512353.db2.gz RCVUCLJXUUYVHG-DLRQAJBASA-N 1 2 249.314 1.112 20 0 BDADLO OC[C@H]1[C@@H]2CN(c3cc[nH+]c(C4CC4)n3)C[C@H]12 ZINC000644134919 385516048 /nfs/dbraw/zinc/51/60/48/385516048.db2.gz XUYUUJDSKCHQKF-URLYPYJESA-N 1 2 231.299 1.029 20 0 BDADLO C[C@H]1[NH2+]CCC[C@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000643034899 385530872 /nfs/dbraw/zinc/53/08/72/385530872.db2.gz KGCRGMIEMBNIMP-RKDXNWHRSA-N 1 2 238.335 1.341 20 0 BDADLO Cc1ncc(C(=O)NCCc2[nH]cc[nH+]2)s1 ZINC000172990388 385540320 /nfs/dbraw/zinc/54/03/20/385540320.db2.gz BWRHXMGDCSHSNE-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO CC(C)n1ccc(C[N@H+](C)CCn2cccn2)n1 ZINC000172015544 385541235 /nfs/dbraw/zinc/54/12/35/385541235.db2.gz YLKJRNGALLJYAJ-UHFFFAOYSA-N 1 2 247.346 1.793 20 0 BDADLO CC(C)n1ccc(C[N@@H+](C)CCn2cccn2)n1 ZINC000172015544 385541238 /nfs/dbraw/zinc/54/12/38/385541238.db2.gz YLKJRNGALLJYAJ-UHFFFAOYSA-N 1 2 247.346 1.793 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1nc[nH]n1 ZINC000180726505 385542836 /nfs/dbraw/zinc/54/28/36/385542836.db2.gz DKYWZKLKTIAVFP-QMMMGPOBSA-N 1 2 246.274 1.391 20 0 BDADLO COC(=O)CC[N@H+](CC(F)F)C1CC1 ZINC000106936246 385545539 /nfs/dbraw/zinc/54/55/39/385545539.db2.gz HUNPZJMEVDUAGQ-UHFFFAOYSA-N 1 2 207.220 1.279 20 0 BDADLO COC(=O)CC[N@@H+](CC(F)F)C1CC1 ZINC000106936246 385545544 /nfs/dbraw/zinc/54/55/44/385545544.db2.gz HUNPZJMEVDUAGQ-UHFFFAOYSA-N 1 2 207.220 1.279 20 0 BDADLO CC(C)c1nc(N2C[C@@H](O)C3(CC3)C2)cc[nH+]1 ZINC000368801154 385545924 /nfs/dbraw/zinc/54/59/24/385545924.db2.gz WJSVXGIYUIBBSE-SNVBAGLBSA-N 1 2 233.315 1.561 20 0 BDADLO CC(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000158086957 385547078 /nfs/dbraw/zinc/54/70/78/385547078.db2.gz KSXJVKXAZHWLAV-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCCOCC2)n1 ZINC000334419537 385547813 /nfs/dbraw/zinc/54/78/13/385547813.db2.gz SJFKFXVQBXDKFV-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCCOCC2)n1 ZINC000334419537 385547820 /nfs/dbraw/zinc/54/78/20/385547820.db2.gz SJFKFXVQBXDKFV-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO c1cc(N2CCO[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000644136046 385518500 /nfs/dbraw/zinc/51/85/00/385518500.db2.gz IOGWZQXLTUCAJW-VHSXEESVSA-N 1 2 217.272 1.332 20 0 BDADLO CC(C)c1noc(OCCCn2cc[nH+]c2)n1 ZINC000180437288 385523132 /nfs/dbraw/zinc/52/31/32/385523132.db2.gz QOSUBMHOHZVDSR-UHFFFAOYSA-N 1 2 236.275 1.859 20 0 BDADLO C[C@@H](C(N)=O)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180497273 385526059 /nfs/dbraw/zinc/52/60/59/385526059.db2.gz WPCUPBUPKMWCDJ-LURJTMIESA-N 1 2 246.232 1.410 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180497273 385526064 /nfs/dbraw/zinc/52/60/64/385526064.db2.gz WPCUPBUPKMWCDJ-LURJTMIESA-N 1 2 246.232 1.410 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2c[nH]cn2)cc1 ZINC000180845329 385551414 /nfs/dbraw/zinc/55/14/14/385551414.db2.gz CQIGTLHWTCBFJE-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2c[nH]cn2)cc1 ZINC000180845329 385551419 /nfs/dbraw/zinc/55/14/19/385551419.db2.gz CQIGTLHWTCBFJE-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2cnc[nH]2)cc1 ZINC000180845329 385551422 /nfs/dbraw/zinc/55/14/22/385551422.db2.gz CQIGTLHWTCBFJE-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2cnc[nH]2)cc1 ZINC000180845329 385551426 /nfs/dbraw/zinc/55/14/26/385551426.db2.gz CQIGTLHWTCBFJE-UHFFFAOYSA-N 1 2 245.326 1.713 20 0 BDADLO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063384 385552333 /nfs/dbraw/zinc/55/23/33/385552333.db2.gz RUFKKSCPGNMMFS-ZETCQYMHSA-N 1 2 244.697 1.785 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063384 385552336 /nfs/dbraw/zinc/55/23/36/385552336.db2.gz RUFKKSCPGNMMFS-ZETCQYMHSA-N 1 2 244.697 1.785 20 0 BDADLO CN(C)c1nc(C[N@@H+]2CCCC2(C)C)ns1 ZINC000158209019 385553466 /nfs/dbraw/zinc/55/34/66/385553466.db2.gz HRGIHEITUPQANO-UHFFFAOYSA-N 1 2 240.376 1.979 20 0 BDADLO CN(C)c1nc(C[N@H+]2CCCC2(C)C)ns1 ZINC000158209019 385553467 /nfs/dbraw/zinc/55/34/67/385553467.db2.gz HRGIHEITUPQANO-UHFFFAOYSA-N 1 2 240.376 1.979 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cn1ccccc1=O ZINC000107294751 385561988 /nfs/dbraw/zinc/56/19/88/385561988.db2.gz VCYSZNJDTUMVAN-UHFFFAOYSA-N 1 2 243.266 1.190 20 0 BDADLO COC[C@H]([NH2+][C@H](C)C1CCCC1)C(=O)OC ZINC000309403806 385571126 /nfs/dbraw/zinc/57/11/26/385571126.db2.gz ANIBOLZKZOQVJC-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCOCC(C)C)C(=O)OC ZINC000337310889 385600328 /nfs/dbraw/zinc/60/03/28/385600328.db2.gz BQWMUFIFRYOYGJ-VXGBXAGGSA-N 1 2 245.363 1.836 20 0 BDADLO O=C(CCCC1CC1)NCCc1[nH]cc[nH+]1 ZINC000643203637 385586030 /nfs/dbraw/zinc/58/60/30/385586030.db2.gz UUNZPHFPBBRWAU-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC[C@H](CC(F)F)C[NH+]1CCS(=O)CC1 ZINC000595316455 385625863 /nfs/dbraw/zinc/62/58/63/385625863.db2.gz FWSJIQZSTYCVGM-SECBINFHSA-N 1 2 239.331 1.732 20 0 BDADLO CC1=CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493841195 385628697 /nfs/dbraw/zinc/62/86/97/385628697.db2.gz DXQZWAMSDYYYRN-NSCUHMNNSA-N 1 2 217.272 1.602 20 0 BDADLO CC[C@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281031642 385628687 /nfs/dbraw/zinc/62/86/87/385628687.db2.gz PHACHUGMRYUGHO-SECBINFHSA-N 1 2 248.286 1.227 20 0 BDADLO C[C@@H](O)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493858600 385632891 /nfs/dbraw/zinc/63/28/91/385632891.db2.gz SPOZRGOMPSXMGQ-VMZHVLLKSA-N 1 2 249.314 1.042 20 0 BDADLO CC[N@H+](CCO)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000118835267 385608690 /nfs/dbraw/zinc/60/86/90/385608690.db2.gz PQUSJXFYSIQFJV-VIFPVBQESA-N 1 2 241.335 1.742 20 0 BDADLO CC[N@@H+](CCO)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000118835267 385608694 /nfs/dbraw/zinc/60/86/94/385608694.db2.gz PQUSJXFYSIQFJV-VIFPVBQESA-N 1 2 241.335 1.742 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1scnc1C ZINC000280868094 385612618 /nfs/dbraw/zinc/61/26/18/385612618.db2.gz ZHLHYGMTDXSPEH-SECBINFHSA-N 1 2 242.344 1.487 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1scnc1C ZINC000280868094 385612626 /nfs/dbraw/zinc/61/26/26/385612626.db2.gz ZHLHYGMTDXSPEH-SECBINFHSA-N 1 2 242.344 1.487 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000182178654 385639667 /nfs/dbraw/zinc/63/96/67/385639667.db2.gz LLYQCORCGYFCFM-VXGBXAGGSA-N 1 2 239.315 1.996 20 0 BDADLO CO[C@H](C)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000182178654 385639672 /nfs/dbraw/zinc/63/96/72/385639672.db2.gz LLYQCORCGYFCFM-VXGBXAGGSA-N 1 2 239.315 1.996 20 0 BDADLO CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337413807 385646089 /nfs/dbraw/zinc/64/60/89/385646089.db2.gz QGJCCQJPQZSIBU-SNVBAGLBSA-N 1 2 234.290 1.632 20 0 BDADLO CC(=O)NCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337413807 385646095 /nfs/dbraw/zinc/64/60/95/385646095.db2.gz QGJCCQJPQZSIBU-SNVBAGLBSA-N 1 2 234.290 1.632 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H]2CCC[C@H]21 ZINC000281231711 385646749 /nfs/dbraw/zinc/64/67/49/385646749.db2.gz UEAQDRIUOWSFFX-MNOVXSKESA-N 1 2 221.304 1.173 20 0 BDADLO CCOC(C)(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000380172938 385658310 /nfs/dbraw/zinc/65/83/10/385658310.db2.gz LUHMAKFYZUWBEH-UHFFFAOYSA-N 1 2 225.292 1.149 20 0 BDADLO CCCCc1cc(NCc2cccnn2)nc[nH+]1 ZINC000631248348 385659019 /nfs/dbraw/zinc/65/90/19/385659019.db2.gz KRVMGNUELOMWQV-UHFFFAOYSA-N 1 2 243.314 1.643 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ncnn1C ZINC000353338845 385660357 /nfs/dbraw/zinc/66/03/57/385660357.db2.gz UXFVKDPUVBMLEX-IUCAKERBSA-N 1 2 249.293 1.761 20 0 BDADLO CO[C@@](C)(CNc1ccc(CO)c[nH+]1)C1CC1 ZINC000647912920 385672892 /nfs/dbraw/zinc/67/28/92/385672892.db2.gz CAEYYNXRAMVMLL-ZDUSSCGKSA-N 1 2 236.315 1.801 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1ccncc1 ZINC000647912277 385676304 /nfs/dbraw/zinc/67/63/04/385676304.db2.gz ASBJCJJQZRIUIV-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1ccncc1 ZINC000647912277 385676308 /nfs/dbraw/zinc/67/63/08/385676308.db2.gz ASBJCJJQZRIUIV-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO OC[C@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000414527446 385678796 /nfs/dbraw/zinc/67/87/96/385678796.db2.gz MZWPOSNRJGIRJA-NSHDSACASA-N 1 2 249.289 1.415 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CCC(C)C)C(=O)OC ZINC000309549514 385681131 /nfs/dbraw/zinc/68/11/31/385681131.db2.gz HRGSOYRVGVXSOM-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1cn[nH]c1 ZINC000229871770 385684049 /nfs/dbraw/zinc/68/40/49/385684049.db2.gz DBSYVYVQWZRKTG-SSDOTTSWSA-N 1 2 243.274 1.260 20 0 BDADLO C[C@@H](CO)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000270317652 385696160 /nfs/dbraw/zinc/69/61/60/385696160.db2.gz VPYYACBMQZZROV-SECBINFHSA-N 1 2 236.319 1.339 20 0 BDADLO C[C@@H](CO)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000270317652 385696162 /nfs/dbraw/zinc/69/61/62/385696162.db2.gz VPYYACBMQZZROV-SECBINFHSA-N 1 2 236.319 1.339 20 0 BDADLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)cc(C)n1 ZINC000337519807 385701470 /nfs/dbraw/zinc/70/14/70/385701470.db2.gz XICGKCPPEWJSGY-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)cc(C)n1 ZINC000337519807 385701476 /nfs/dbraw/zinc/70/14/76/385701476.db2.gz XICGKCPPEWJSGY-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO C[C@H](CO)CCCNc1[nH+]cnc2c1cnn2C ZINC000230147634 385712571 /nfs/dbraw/zinc/71/25/71/385712571.db2.gz WQZUEQJFMNQWKU-VIFPVBQESA-N 1 2 249.318 1.184 20 0 BDADLO C[N@H+](Cc1cnccn1)C[C@@](C)(O)C(F)(F)F ZINC000282035407 385728401 /nfs/dbraw/zinc/72/84/01/385728401.db2.gz QKOQTOWKZVXPRK-SECBINFHSA-N 1 2 249.236 1.222 20 0 BDADLO C[N@@H+](Cc1cnccn1)C[C@@](C)(O)C(F)(F)F ZINC000282035407 385728408 /nfs/dbraw/zinc/72/84/08/385728408.db2.gz QKOQTOWKZVXPRK-SECBINFHSA-N 1 2 249.236 1.222 20 0 BDADLO Cc1nnnn1Cc1ccc(C)[nH+]c1C ZINC000185379880 385729434 /nfs/dbraw/zinc/72/94/34/385729434.db2.gz WQKUHWWTJRDSJY-UHFFFAOYSA-N 1 2 203.249 1.042 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)[nH]1 ZINC000408375505 385743419 /nfs/dbraw/zinc/74/34/19/385743419.db2.gz OXSVCMRWFYFUEB-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](C)[C@@H]2CO)[nH]1 ZINC000408375505 385743422 /nfs/dbraw/zinc/74/34/22/385743422.db2.gz OXSVCMRWFYFUEB-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H](C)COC)C(=O)OCC ZINC000309616952 385745148 /nfs/dbraw/zinc/74/51/48/385745148.db2.gz DCSOUMWKFJMUNB-HQVCXTMKSA-N 1 2 229.320 1.509 20 0 BDADLO CCc1cccc(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000337678940 385750363 /nfs/dbraw/zinc/75/03/63/385750363.db2.gz ZDILCWGZDWZDEC-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CCc1cccc(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000337678940 385750365 /nfs/dbraw/zinc/75/03/65/385750365.db2.gz ZDILCWGZDWZDEC-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CCn1ccnc1C[N@H+](C)CC1(CO)CC1 ZINC000186758643 385786855 /nfs/dbraw/zinc/78/68/55/385786855.db2.gz MVFXTAYMVYKITN-UHFFFAOYSA-N 1 2 223.320 1.107 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CC1(CO)CC1 ZINC000186758643 385786863 /nfs/dbraw/zinc/78/68/63/385786863.db2.gz MVFXTAYMVYKITN-UHFFFAOYSA-N 1 2 223.320 1.107 20 0 BDADLO CC(C)c1nc(N2CCCC2)nc(N(C)C)[nH+]1 ZINC000270924650 385760710 /nfs/dbraw/zinc/76/07/10/385760710.db2.gz JNGMFYOUERAILU-UHFFFAOYSA-N 1 2 235.335 1.661 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2CCCC2)[nH+]1 ZINC000270924650 385760714 /nfs/dbraw/zinc/76/07/14/385760714.db2.gz JNGMFYOUERAILU-UHFFFAOYSA-N 1 2 235.335 1.661 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OC ZINC000336739859 385787219 /nfs/dbraw/zinc/78/72/19/385787219.db2.gz SVEVTRWRCXLDJY-ZJUUUORDSA-N 1 2 231.361 1.813 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000259937013 385787134 /nfs/dbraw/zinc/78/71/34/385787134.db2.gz KORJTRMPTIFZML-SNVBAGLBSA-N 1 2 237.299 1.861 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000259937013 385787138 /nfs/dbraw/zinc/78/71/38/385787138.db2.gz KORJTRMPTIFZML-SNVBAGLBSA-N 1 2 237.299 1.861 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H]1CCOC1)C(=O)OCC ZINC000309647032 385765970 /nfs/dbraw/zinc/76/59/70/385765970.db2.gz MPOGTCLDOBVQNF-UTSBZEJYSA-N 1 2 227.304 1.263 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccnn1C ZINC000270992207 385766768 /nfs/dbraw/zinc/76/67/68/385766768.db2.gz IKYWFAZXYHQUAA-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccnn1C ZINC000270992207 385766770 /nfs/dbraw/zinc/76/67/70/385766770.db2.gz IKYWFAZXYHQUAA-MNOVXSKESA-N 1 2 223.320 1.419 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H]1CO ZINC000270985700 385767268 /nfs/dbraw/zinc/76/72/68/385767268.db2.gz ARHHIJRJLXZYLS-JTQLQIEISA-N 1 2 235.287 1.379 20 0 BDADLO CC(C)c1noc(N(C)Cc2[nH+]ccn2C)n1 ZINC000271008684 385770378 /nfs/dbraw/zinc/77/03/78/385770378.db2.gz ZOZANRPCRQNNHG-UHFFFAOYSA-N 1 2 235.291 1.563 20 0 BDADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)C[C@H]2C[C@H]2C1 ZINC000340144460 385771363 /nfs/dbraw/zinc/77/13/63/385771363.db2.gz JMBSAGPSNPQFKW-IWIIMEHWSA-N 1 2 233.315 1.505 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+](C)[C@@H](C)CO)cs1 ZINC000282679588 385777597 /nfs/dbraw/zinc/77/75/97/385777597.db2.gz DABDGFLAGATHGI-IUCAKERBSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+](C)[C@@H](C)CO)cs1 ZINC000282679588 385777600 /nfs/dbraw/zinc/77/76/00/385777600.db2.gz DABDGFLAGATHGI-IUCAKERBSA-N 1 2 244.360 1.663 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000259442446 385784147 /nfs/dbraw/zinc/78/41/47/385784147.db2.gz NDUBBVPJZFQXOT-CHWSQXEVSA-N 1 2 249.310 1.357 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](O)C1 ZINC000259442446 385784152 /nfs/dbraw/zinc/78/41/52/385784152.db2.gz NDUBBVPJZFQXOT-CHWSQXEVSA-N 1 2 249.310 1.357 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ccon1)c1ccco1 ZINC000185080001 385720277 /nfs/dbraw/zinc/72/02/77/385720277.db2.gz XSQCUGGZIVMUGB-SNVBAGLBSA-N 1 2 222.244 1.481 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000337586854 385722004 /nfs/dbraw/zinc/72/20/04/385722004.db2.gz SXYRXQOPJXJZPL-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1cn[nH]c1C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000309593369 385722952 /nfs/dbraw/zinc/72/29/52/385722952.db2.gz VLJCIDKONUDPLR-SNVBAGLBSA-N 1 2 222.336 1.290 20 0 BDADLO Cc1nc(CC[N@@H+]2CCO[C@@H](C)C2)cs1 ZINC000271106275 385788149 /nfs/dbraw/zinc/78/81/49/385788149.db2.gz OVKXAISUNVQXAW-VIFPVBQESA-N 1 2 226.345 1.715 20 0 BDADLO Cc1nc(CC[N@H+]2CCO[C@@H](C)C2)cs1 ZINC000271106275 385788154 /nfs/dbraw/zinc/78/81/54/385788154.db2.gz OVKXAISUNVQXAW-VIFPVBQESA-N 1 2 226.345 1.715 20 0 BDADLO Cc1cc(N)nc(SCC2(C)COC2)[nH+]1 ZINC000336708969 385797886 /nfs/dbraw/zinc/79/78/86/385797886.db2.gz SPTSOVZYBMKUIP-UHFFFAOYSA-N 1 2 225.317 1.326 20 0 BDADLO Cn1ccc(C[N@H+](C)CCOCC2CC2)n1 ZINC000271177416 385798215 /nfs/dbraw/zinc/79/82/15/385798215.db2.gz HSNWXOZBJRXQPC-UHFFFAOYSA-N 1 2 223.320 1.279 20 0 BDADLO Cn1ccc(C[N@@H+](C)CCOCC2CC2)n1 ZINC000271177416 385798222 /nfs/dbraw/zinc/79/82/22/385798222.db2.gz HSNWXOZBJRXQPC-UHFFFAOYSA-N 1 2 223.320 1.279 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000337963110 385856586 /nfs/dbraw/zinc/85/65/86/385856586.db2.gz ZXWUWAYDKBJNPR-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)C1CC1 ZINC000337963110 385856589 /nfs/dbraw/zinc/85/65/89/385856589.db2.gz ZXWUWAYDKBJNPR-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc[nH+]c(NC[C@](C)(O)CO)c1Cl ZINC000336741442 385857186 /nfs/dbraw/zinc/85/71/86/385857186.db2.gz VSWOQKFSIMPHTR-JTQLQIEISA-N 1 2 230.695 1.199 20 0 BDADLO CC(C)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271308329 385816576 /nfs/dbraw/zinc/81/65/76/385816576.db2.gz HEYREFPNPOOGKP-UHFFFAOYSA-N 1 2 244.298 1.748 20 0 BDADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCC1 ZINC000271315737 385817164 /nfs/dbraw/zinc/81/71/64/385817164.db2.gz MZQGYWMZAZORKS-UHFFFAOYSA-N 1 2 242.282 1.503 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C)(CO)CC2)o1 ZINC000186945017 385817219 /nfs/dbraw/zinc/81/72/19/385817219.db2.gz VQDUONKIWNSVAX-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC(F)F)[C@H](C)CO1 ZINC000188636984 385818003 /nfs/dbraw/zinc/81/80/03/385818003.db2.gz HVVWNDUJQBRIHK-RKDXNWHRSA-N 1 2 223.263 1.377 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC(F)F)[C@H](C)CO1 ZINC000188636984 385818006 /nfs/dbraw/zinc/81/80/06/385818006.db2.gz HVVWNDUJQBRIHK-RKDXNWHRSA-N 1 2 223.263 1.377 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)Cn1cccn1)C(=O)OC ZINC000354928617 385822199 /nfs/dbraw/zinc/82/21/99/385822199.db2.gz UKYFBZZSZLNMNT-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3COC[C@H](C2)O3)cc[nH+]1 ZINC000337888514 385824138 /nfs/dbraw/zinc/82/41/38/385824138.db2.gz ZNGKTEFUBNRDCM-PHIMTYICSA-N 1 2 249.314 1.204 20 0 BDADLO CN(C)c1cccc(C[N@H+](C)Cc2cnn[nH]2)c1 ZINC000283626860 385825083 /nfs/dbraw/zinc/82/50/83/385825083.db2.gz BCIVHAGCIXCSCU-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CN(C)c1cccc(C[N@@H+](C)Cc2cnn[nH]2)c1 ZINC000283626860 385825089 /nfs/dbraw/zinc/82/50/89/385825089.db2.gz BCIVHAGCIXCSCU-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+](C)Cc1nnc(C)s1 ZINC000271455006 385830275 /nfs/dbraw/zinc/83/02/75/385830275.db2.gz SIYXPPDLNNGNRK-ZETCQYMHSA-N 1 2 243.332 1.087 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nnc(C)s1 ZINC000271455006 385830278 /nfs/dbraw/zinc/83/02/78/385830278.db2.gz SIYXPPDLNNGNRK-ZETCQYMHSA-N 1 2 243.332 1.087 20 0 BDADLO C[C@]1(F)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413219949 385831953 /nfs/dbraw/zinc/83/19/53/385831953.db2.gz NLEGBFCNLRIFQK-LBPRGKRZSA-N 1 2 236.294 1.989 20 0 BDADLO C[C@]1(F)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413219949 385831956 /nfs/dbraw/zinc/83/19/56/385831956.db2.gz NLEGBFCNLRIFQK-LBPRGKRZSA-N 1 2 236.294 1.989 20 0 BDADLO CCC1(O)CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000294284064 385833076 /nfs/dbraw/zinc/83/30/76/385833076.db2.gz SDIBPHZJFDHEPA-UHFFFAOYSA-N 1 2 235.287 1.379 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccc(Cl)o2)n1 ZINC000112338737 385839008 /nfs/dbraw/zinc/83/90/08/385839008.db2.gz RQDCEXVWQZLSBF-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354989451 385848555 /nfs/dbraw/zinc/84/85/55/385848555.db2.gz ZGRCVQNLTRIEGY-PWSUYJOCSA-N 1 2 243.310 1.997 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC1(F)F ZINC000294461280 385853217 /nfs/dbraw/zinc/85/32/17/385853217.db2.gz CHMIQKCKPUEGPE-ZETCQYMHSA-N 1 2 212.199 1.984 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCSC1 ZINC000284191309 385855767 /nfs/dbraw/zinc/85/57/67/385855767.db2.gz YZGJDSKCBBIAEJ-VWCDRPFISA-N 1 2 223.301 1.045 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000331621098 385791219 /nfs/dbraw/zinc/79/12/19/385791219.db2.gz JVCYQPDPPBUDEZ-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000331621098 385791222 /nfs/dbraw/zinc/79/12/22/385791222.db2.gz JVCYQPDPPBUDEZ-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2cnn[nH]2)CC1 ZINC000331621098 385791228 /nfs/dbraw/zinc/79/12/28/385791228.db2.gz JVCYQPDPPBUDEZ-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000331621098 385791236 /nfs/dbraw/zinc/79/12/36/385791236.db2.gz JVCYQPDPPBUDEZ-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO COC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000331621098 385791240 /nfs/dbraw/zinc/79/12/40/385791240.db2.gz JVCYQPDPPBUDEZ-SNVBAGLBSA-N 1 2 224.308 1.053 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1ccccn1 ZINC000183733383 385793000 /nfs/dbraw/zinc/79/30/00/385793000.db2.gz XCBDXMILQDOQDY-UHFFFAOYSA-N 1 2 230.315 1.788 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C(F)F ZINC000337814961 385794332 /nfs/dbraw/zinc/79/43/32/385794332.db2.gz OALHQNBRDOKEOA-DTWKUNHWSA-N 1 2 240.253 1.906 20 0 BDADLO CCc1nnc([C@@H](C)[NH+]2CCC(C)(O)CC2)o1 ZINC000408278172 385930272 /nfs/dbraw/zinc/93/02/72/385930272.db2.gz SLSCAUFULMEQIO-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO CCc1ncnc(N2CCc3[nH+]c[nH]c3C2)c1F ZINC000647842602 385891645 /nfs/dbraw/zinc/89/16/45/385891645.db2.gz AKZCWXVWVPZWPL-UHFFFAOYSA-N 1 2 247.277 1.464 20 0 BDADLO COc1c(O)cccc1C[N@@H+]1CCOC[C@H]1C ZINC000272324626 385894665 /nfs/dbraw/zinc/89/46/65/385894665.db2.gz VCQFYNMVASSLPJ-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO COc1c(O)cccc1C[N@H+]1CCOC[C@H]1C ZINC000272324626 385894666 /nfs/dbraw/zinc/89/46/66/385894666.db2.gz VCQFYNMVASSLPJ-SNVBAGLBSA-N 1 2 237.299 1.622 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000285034351 385896004 /nfs/dbraw/zinc/89/60/04/385896004.db2.gz HWFISBXJYAWABB-NXEZZACHSA-N 1 2 239.319 1.500 20 0 BDADLO CN(Cc1ccco1)c1nc[nH+]c2c1OCCN2 ZINC000647847434 385896569 /nfs/dbraw/zinc/89/65/69/385896569.db2.gz GJCWNWBOPXTTNY-UHFFFAOYSA-N 1 2 246.270 1.510 20 0 BDADLO CN(Cc1ccco1)c1[nH+]cnc2c1OCCN2 ZINC000647847434 385896573 /nfs/dbraw/zinc/89/65/73/385896573.db2.gz GJCWNWBOPXTTNY-UHFFFAOYSA-N 1 2 246.270 1.510 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000285151530 385902547 /nfs/dbraw/zinc/90/25/47/385902547.db2.gz MGJDLRICUYMRML-ADEWGFFLSA-N 1 2 243.314 1.535 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCc2n[nH]cc2C1 ZINC000647854375 385907920 /nfs/dbraw/zinc/90/79/20/385907920.db2.gz NXAKJJWECXQVGP-UHFFFAOYSA-N 1 2 229.287 1.379 20 0 BDADLO CC[C@@H](F)CSCC[NH+]1CCOCC1 ZINC000440579395 385911385 /nfs/dbraw/zinc/91/13/85/385911385.db2.gz UFKDKBRDBARVBZ-SNVBAGLBSA-N 1 2 221.341 1.800 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000272593098 385915246 /nfs/dbraw/zinc/91/52/46/385915246.db2.gz WETOCZUWTNUHHE-ZJUUUORDSA-N 1 2 223.320 1.719 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)C1(CO)CC1 ZINC000285350500 385918258 /nfs/dbraw/zinc/91/82/58/385918258.db2.gz AWJDADBKODJXRC-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)C1(CO)CC1 ZINC000285350500 385918262 /nfs/dbraw/zinc/91/82/62/385918262.db2.gz AWJDADBKODJXRC-UHFFFAOYSA-N 1 2 231.246 1.235 20 0 BDADLO Cc1ccncc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000272644187 385920946 /nfs/dbraw/zinc/92/09/46/385920946.db2.gz YCOOVIQMVPLGJA-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000272644187 385920952 /nfs/dbraw/zinc/92/09/52/385920952.db2.gz YCOOVIQMVPLGJA-UHFFFAOYSA-N 1 2 247.342 1.443 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1Cc1cn(C)nn1 ZINC000335033906 385923883 /nfs/dbraw/zinc/92/38/83/385923883.db2.gz IGCXSBADVAFZMU-JTQLQIEISA-N 1 2 228.299 1.892 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cn(C)nn1 ZINC000335033906 385923887 /nfs/dbraw/zinc/92/38/87/385923887.db2.gz IGCXSBADVAFZMU-JTQLQIEISA-N 1 2 228.299 1.892 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2cn(C)nn2)[C@H]1C ZINC000335033956 385924475 /nfs/dbraw/zinc/92/44/75/385924475.db2.gz SQWLELMYSUAJJH-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2cn(C)nn2)[C@H]1C ZINC000335033956 385924481 /nfs/dbraw/zinc/92/44/81/385924481.db2.gz SQWLELMYSUAJJH-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)nc1 ZINC000271917591 385861242 /nfs/dbraw/zinc/86/12/42/385861242.db2.gz JUTUEINLRHTDDC-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)nc1 ZINC000271917591 385861243 /nfs/dbraw/zinc/86/12/43/385861243.db2.gz JUTUEINLRHTDDC-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO CO[C@H](C[N@@H+]1CCN(C)C(=O)C1)c1ccccc1 ZINC000284323356 385861389 /nfs/dbraw/zinc/86/13/89/385861389.db2.gz IDYMWGIWXDFWOG-CYBMUJFWSA-N 1 2 248.326 1.148 20 0 BDADLO CO[C@H](C[N@H+]1CCN(C)C(=O)C1)c1ccccc1 ZINC000284323356 385861393 /nfs/dbraw/zinc/86/13/93/385861393.db2.gz IDYMWGIWXDFWOG-CYBMUJFWSA-N 1 2 248.326 1.148 20 0 BDADLO Cn1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000271973580 385864769 /nfs/dbraw/zinc/86/47/69/385864769.db2.gz NFWDTNGKJYRAJZ-AWEZNQCLSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000271973580 385864774 /nfs/dbraw/zinc/86/47/74/385864774.db2.gz NFWDTNGKJYRAJZ-AWEZNQCLSA-N 1 2 245.326 1.586 20 0 BDADLO C[C@H](F)CC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340472156 385867369 /nfs/dbraw/zinc/86/73/69/385867369.db2.gz ZSSHPEIGWGLFOY-ONGXEEELSA-N 1 2 249.293 1.627 20 0 BDADLO C[C@@H](NCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000123272127 385867612 /nfs/dbraw/zinc/86/76/12/385867612.db2.gz ACXWYUQCDBPDCJ-SECBINFHSA-N 1 2 239.319 1.240 20 0 BDADLO CC1(C)C[C@H]1[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000294580695 385871046 /nfs/dbraw/zinc/87/10/46/385871046.db2.gz CJQYMOQCXCXDEH-MNOVXSKESA-N 1 2 243.314 1.677 20 0 BDADLO COc1nccnc1C[NH+]1CCSCC1 ZINC000294589250 385872105 /nfs/dbraw/zinc/87/21/05/385872105.db2.gz RTBBAPQRCOTYAF-UHFFFAOYSA-N 1 2 225.317 1.034 20 0 BDADLO CN(CC(F)(F)F)C(=O)CCn1cc[nH+]c1 ZINC000338001758 385873843 /nfs/dbraw/zinc/87/38/43/385873843.db2.gz BYWAHNMPRPXROX-UHFFFAOYSA-N 1 2 235.209 1.294 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2ccco2)n1 ZINC000294620361 385875688 /nfs/dbraw/zinc/87/56/88/385875688.db2.gz YCSCOYZIGXIAHG-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2ccco2)n1 ZINC000294620361 385875692 /nfs/dbraw/zinc/87/56/92/385875692.db2.gz YCSCOYZIGXIAHG-UHFFFAOYSA-N 1 2 233.271 1.710 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCCOCC2)c[nH+]1 ZINC000272115151 385876757 /nfs/dbraw/zinc/87/67/57/385876757.db2.gz YOZXUDVDSFKAAN-VIFPVBQESA-N 1 2 223.276 1.017 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000294649468 385878815 /nfs/dbraw/zinc/87/88/15/385878815.db2.gz BHNZVWXPRAZXFY-NWDGAFQWSA-N 1 2 249.314 1.239 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000294649468 385878818 /nfs/dbraw/zinc/87/88/18/385878818.db2.gz BHNZVWXPRAZXFY-NWDGAFQWSA-N 1 2 249.314 1.239 20 0 BDADLO Cc1nocc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000294679139 385882538 /nfs/dbraw/zinc/88/25/38/385882538.db2.gz MUOKTRHTIZWQHR-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1nocc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000294679139 385882541 /nfs/dbraw/zinc/88/25/41/385882541.db2.gz MUOKTRHTIZWQHR-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO C[N@H+](Cc1cocn1)[C@@H](CO)c1ccccc1 ZINC000295129585 385976138 /nfs/dbraw/zinc/97/61/38/385976138.db2.gz XTZWICPCTKYUHJ-ZDUSSCGKSA-N 1 2 232.283 1.840 20 0 BDADLO C[N@@H+](Cc1cocn1)[C@@H](CO)c1ccccc1 ZINC000295129585 385976141 /nfs/dbraw/zinc/97/61/41/385976141.db2.gz XTZWICPCTKYUHJ-ZDUSSCGKSA-N 1 2 232.283 1.840 20 0 BDADLO C[C@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000414140434 385986637 /nfs/dbraw/zinc/98/66/37/385986637.db2.gz HAPCGPKBNDQKFY-JTQLQIEISA-N 1 2 218.256 1.632 20 0 BDADLO CO[C@@H](C[NH2+]C(C)(C)c1noc(C)n1)C1CC1 ZINC000425410770 385988894 /nfs/dbraw/zinc/98/88/94/385988894.db2.gz BUPNBRILDFVJHS-JTQLQIEISA-N 1 2 239.319 1.628 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccccn2)cnn1C ZINC000273366266 385991894 /nfs/dbraw/zinc/99/18/94/385991894.db2.gz DUABAKRLGRVEBG-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccccn2)cnn1C ZINC000273366266 385991900 /nfs/dbraw/zinc/99/19/00/385991900.db2.gz DUABAKRLGRVEBG-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CC[N@H+](CCOC)[C@H](C)c1nnc(C)s1 ZINC000338237110 385932458 /nfs/dbraw/zinc/93/24/58/385932458.db2.gz YXAHBBQDLJLTJX-MRVPVSSYSA-N 1 2 229.349 1.876 20 0 BDADLO CC[N@@H+](CCOC)[C@H](C)c1nnc(C)s1 ZINC000338237110 385932464 /nfs/dbraw/zinc/93/24/64/385932464.db2.gz YXAHBBQDLJLTJX-MRVPVSSYSA-N 1 2 229.349 1.876 20 0 BDADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)N1CCC1 ZINC000285494385 385934099 /nfs/dbraw/zinc/93/40/99/385934099.db2.gz XBQWUPGOPKRGNU-GFCCVEGCSA-N 1 2 248.330 1.169 20 0 BDADLO O=C(C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)N1CCC1 ZINC000285494385 385934103 /nfs/dbraw/zinc/93/41/03/385934103.db2.gz XBQWUPGOPKRGNU-GFCCVEGCSA-N 1 2 248.330 1.169 20 0 BDADLO Cn1nccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285525128 385937613 /nfs/dbraw/zinc/93/76/13/385937613.db2.gz ZMUMVWSKTDSWQW-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO Cn1nccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285525128 385937619 /nfs/dbraw/zinc/93/76/19/385937619.db2.gz ZMUMVWSKTDSWQW-ZDUSSCGKSA-N 1 2 245.330 1.870 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCCOC2)c[nH+]1 ZINC000335044764 385938547 /nfs/dbraw/zinc/93/85/47/385938547.db2.gz OLFZAYFRGSABFN-GFCCVEGCSA-N 1 2 248.326 1.741 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)NCCF ZINC000282676763 385942651 /nfs/dbraw/zinc/94/26/51/385942651.db2.gz JKRAQYIKTWIVFI-JGVFFNPUSA-N 1 2 245.323 1.268 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H](OC)C1CC1 ZINC000425395678 385945137 /nfs/dbraw/zinc/94/51/37/385945137.db2.gz OBJUOOIPWNRWOR-JTQLQIEISA-N 1 2 237.290 1.625 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H](OC)C1CC1 ZINC000425395678 385945144 /nfs/dbraw/zinc/94/51/44/385945144.db2.gz OBJUOOIPWNRWOR-JTQLQIEISA-N 1 2 237.290 1.625 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000159432978 385947027 /nfs/dbraw/zinc/94/70/27/385947027.db2.gz OZEGHCSUXDJTKJ-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1 ZINC000159432978 385947031 /nfs/dbraw/zinc/94/70/31/385947031.db2.gz OZEGHCSUXDJTKJ-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425399683 385947879 /nfs/dbraw/zinc/94/78/79/385947879.db2.gz BMURQGJUHUSNMH-SSDOTTSWSA-N 1 2 247.245 1.354 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425399683 385947884 /nfs/dbraw/zinc/94/78/84/385947884.db2.gz BMURQGJUHUSNMH-SSDOTTSWSA-N 1 2 247.245 1.354 20 0 BDADLO C=Cn1cc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000295067158 385958132 /nfs/dbraw/zinc/95/81/32/385958132.db2.gz HCGFDGFIJRMDNU-JTQLQIEISA-N 1 2 207.277 1.204 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000295067158 385958134 /nfs/dbraw/zinc/95/81/34/385958134.db2.gz HCGFDGFIJRMDNU-JTQLQIEISA-N 1 2 207.277 1.204 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)cn1 ZINC000189178214 385960848 /nfs/dbraw/zinc/96/08/48/385960848.db2.gz MQBYWLNOGAYUHT-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOCC23CC3)c1 ZINC000335059935 385962080 /nfs/dbraw/zinc/96/20/80/385962080.db2.gz NNXZQIGHPWXSMB-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cncc(C[N@H+]2CCOCC23CC3)c1 ZINC000335059935 385962083 /nfs/dbraw/zinc/96/20/83/385962083.db2.gz NNXZQIGHPWXSMB-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)cs1 ZINC000295085837 385963846 /nfs/dbraw/zinc/96/38/46/385963846.db2.gz SQCSQGKBAJILAK-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)cs1 ZINC000295085837 385963853 /nfs/dbraw/zinc/96/38/53/385963853.db2.gz SQCSQGKBAJILAK-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295098425 385968401 /nfs/dbraw/zinc/96/84/01/385968401.db2.gz GBOOFZXPYGDJBZ-GFCCVEGCSA-N 1 2 249.358 1.769 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295098425 385968405 /nfs/dbraw/zinc/96/84/05/385968405.db2.gz GBOOFZXPYGDJBZ-GFCCVEGCSA-N 1 2 249.358 1.769 20 0 BDADLO CN(Cc1ccccc1F)C(=O)Cn1cc[nH+]c1 ZINC000067962072 385969058 /nfs/dbraw/zinc/96/90/58/385969058.db2.gz LBGNQIHJHUCMSU-UHFFFAOYSA-N 1 2 247.273 1.681 20 0 BDADLO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000338344071 385973379 /nfs/dbraw/zinc/97/33/79/385973379.db2.gz OQGIPUVHKVHUBR-VIFPVBQESA-N 1 2 238.335 1.911 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000338345624 385974981 /nfs/dbraw/zinc/97/49/81/385974981.db2.gz AOPBMEBAJDYJBT-VXNVDRBHSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)s1 ZINC000338345624 385974987 /nfs/dbraw/zinc/97/49/87/385974987.db2.gz AOPBMEBAJDYJBT-VXNVDRBHSA-N 1 2 241.360 1.610 20 0 BDADLO C[C@H](CO)N(C)c1cc[nH+]c2ccncc21 ZINC000286132023 386001197 /nfs/dbraw/zinc/00/11/97/386001197.db2.gz APKXBSPJYNPKCX-SECBINFHSA-N 1 2 217.272 1.447 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCc2ccncc21 ZINC000273477443 386003915 /nfs/dbraw/zinc/00/39/15/386003915.db2.gz JXSIOIXDRGDLQB-UHFFFAOYSA-N 1 2 242.282 1.258 20 0 BDADLO Cc1noc(OCCCn2cc[nH+]c2)n1 ZINC000273484049 386007730 /nfs/dbraw/zinc/00/77/30/386007730.db2.gz QWKKQXPFZQVEHG-UHFFFAOYSA-N 1 2 208.221 1.044 20 0 BDADLO Cc1cc(CNC(=O)c2cnn(C)c2)cc(C)[nH+]1 ZINC000335069605 386017696 /nfs/dbraw/zinc/01/76/96/386017696.db2.gz PXTOATGWQIPUMI-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CS(=O)(=O)C1C[NH+](CC2CCCCC2)C1 ZINC000334936452 386018524 /nfs/dbraw/zinc/01/85/24/386018524.db2.gz QCMUPZMSAWFGIB-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO CC[C@H](CCO)CNc1nc[nH+]c(N)c1Cl ZINC000234015702 386019079 /nfs/dbraw/zinc/01/90/79/386019079.db2.gz ORSCUMCUCIREEY-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO CC[C@H](CCO)CNc1[nH+]cnc(N)c1Cl ZINC000234015702 386019084 /nfs/dbraw/zinc/01/90/84/386019084.db2.gz ORSCUMCUCIREEY-SSDOTTSWSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1cccnc1 ZINC000345164776 386023228 /nfs/dbraw/zinc/02/32/28/386023228.db2.gz XPEAQXVRTVDENB-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1[C@@H]1CCCC[C@H]1C ZINC000414182691 386024458 /nfs/dbraw/zinc/02/44/58/386024458.db2.gz MDPDLQVFUIFGHW-WZRBSPASSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1[C@@H]1CCCC[C@H]1C ZINC000414182691 386024459 /nfs/dbraw/zinc/02/44/59/386024459.db2.gz MDPDLQVFUIFGHW-WZRBSPASSA-N 1 2 224.348 1.981 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2cccnc2C)n1 ZINC000414637635 386025740 /nfs/dbraw/zinc/02/57/40/386025740.db2.gz CNPHOIDZKQRBFD-WAYWQWQTSA-N 1 2 230.271 1.663 20 0 BDADLO Cn1c[nH+]cc1COc1cccc2c1OCCO2 ZINC000273716119 386027200 /nfs/dbraw/zinc/02/72/00/386027200.db2.gz FZYOGJKQMMYLSY-UHFFFAOYSA-N 1 2 246.266 1.770 20 0 BDADLO CN(CC1(O)CCC1)c1[nH]c2ccccc2[nH+]1 ZINC000335065451 386036503 /nfs/dbraw/zinc/03/65/03/386036503.db2.gz UVLDXFPQXOWKTK-UHFFFAOYSA-N 1 2 231.299 1.914 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CCCO2)cc(C)[nH+]1 ZINC000335073857 386037838 /nfs/dbraw/zinc/03/78/38/386037838.db2.gz OJICNSYVTXKSLW-LBPRGKRZSA-N 1 2 234.299 1.494 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CCC[C@H]1O ZINC000286426534 386038990 /nfs/dbraw/zinc/03/89/90/386038990.db2.gz RMHVEBYKQNBVNG-GHMZBOCLSA-N 1 2 233.315 1.704 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2cnccc2C)n1 ZINC000414642177 386043991 /nfs/dbraw/zinc/04/39/91/386043991.db2.gz KRTMRRUUDVQVTB-ONEGZZNKSA-N 1 2 230.271 1.663 20 0 BDADLO C[NH2+]Cc1noc(C2(C(F)(F)F)CCC2)n1 ZINC000414643709 386046181 /nfs/dbraw/zinc/04/61/81/386046181.db2.gz NMJPHZJOBHGSSF-UHFFFAOYSA-N 1 2 235.209 1.773 20 0 BDADLO CCC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC000295528908 386047572 /nfs/dbraw/zinc/04/75/72/386047572.db2.gz NGNVNJQKRZWIPN-JTQLQIEISA-N 1 2 214.334 1.736 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC000295528908 386047579 /nfs/dbraw/zinc/04/75/79/386047579.db2.gz NGNVNJQKRZWIPN-JTQLQIEISA-N 1 2 214.334 1.736 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)cn2)[C@H](C)C1 ZINC000334432393 386049828 /nfs/dbraw/zinc/04/98/28/386049828.db2.gz CJHLCNSSJIAJAL-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)cn2)[C@H](C)C1 ZINC000334432393 386049831 /nfs/dbraw/zinc/04/98/31/386049831.db2.gz CJHLCNSSJIAJAL-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO COCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273977383 386057699 /nfs/dbraw/zinc/05/76/99/386057699.db2.gz QZIWCKOAORVODM-UHFFFAOYSA-N 1 2 219.244 1.510 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000335080033 386053496 /nfs/dbraw/zinc/05/34/96/386053496.db2.gz YTRQWPRMCAZJKP-UWVGGRQHSA-N 1 2 239.294 1.896 20 0 BDADLO COC(=O)CC1(C[N@@H+]2CCC(=O)[C@@H](C)C2)CC1 ZINC000338568401 386054087 /nfs/dbraw/zinc/05/40/87/386054087.db2.gz DMYRLFKCQAQTAC-JTQLQIEISA-N 1 2 239.315 1.241 20 0 BDADLO COC(=O)CC1(C[N@H+]2CCC(=O)[C@@H](C)C2)CC1 ZINC000338568401 386054091 /nfs/dbraw/zinc/05/40/91/386054091.db2.gz DMYRLFKCQAQTAC-JTQLQIEISA-N 1 2 239.315 1.241 20 0 BDADLO CCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334433610 386055172 /nfs/dbraw/zinc/05/51/72/386055172.db2.gz DIQGNTUYSZSYIH-SECBINFHSA-N 1 2 207.277 1.873 20 0 BDADLO Cn1ccc(C[NH2+][C@@H](CCO)c2ccco2)n1 ZINC000274461053 386109690 /nfs/dbraw/zinc/10/96/90/386109690.db2.gz XKVJZWOCJLVILU-NSHDSACASA-N 1 2 235.287 1.226 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334459701 386110128 /nfs/dbraw/zinc/11/01/28/386110128.db2.gz MFBNZRYSWOQQJX-GHMZBOCLSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC2(C)C)c[nH+]1 ZINC000287309626 386111010 /nfs/dbraw/zinc/11/10/10/386111010.db2.gz UQLAQSJTULGRNE-SECBINFHSA-N 1 2 207.277 1.637 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000162820144 386115294 /nfs/dbraw/zinc/11/52/94/386115294.db2.gz FXSNXMUOQBFZDQ-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)no1 ZINC000162820144 386115305 /nfs/dbraw/zinc/11/53/05/386115305.db2.gz FXSNXMUOQBFZDQ-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCC[C@H](C)C[NH2+][C@H](COC)C(=O)OC ZINC000336773406 386115817 /nfs/dbraw/zinc/11/58/17/386115817.db2.gz YQPJZIYHHBKNOH-VHSXEESVSA-N 1 2 217.309 1.200 20 0 BDADLO C[C@H]1CC[C@@H](C[N@H+](C)Cc2ncc[nH]2)O1 ZINC000647930008 386120552 /nfs/dbraw/zinc/12/05/52/386120552.db2.gz LXKNXGHOCHXHNO-UWVGGRQHSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ncc[nH]2)O1 ZINC000647930008 386120553 /nfs/dbraw/zinc/12/05/53/386120553.db2.gz LXKNXGHOCHXHNO-UWVGGRQHSA-N 1 2 209.293 1.409 20 0 BDADLO COc1ccc(C[N@H+](C(C)C)C2COC2)cn1 ZINC000295596762 386059007 /nfs/dbraw/zinc/05/90/07/386059007.db2.gz CKPFASLVKSEGHF-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+](C(C)C)C2COC2)cn1 ZINC000295596762 386059010 /nfs/dbraw/zinc/05/90/10/386059010.db2.gz CKPFASLVKSEGHF-UHFFFAOYSA-N 1 2 236.315 1.699 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000340234593 386059015 /nfs/dbraw/zinc/05/90/15/386059015.db2.gz ANSOLKPRNQVTGB-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000340234593 386059018 /nfs/dbraw/zinc/05/90/18/386059018.db2.gz ANSOLKPRNQVTGB-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO C[N@H+](CCCc1ccccc1)Cc1cnn[nH]1 ZINC000295613430 386060222 /nfs/dbraw/zinc/06/02/22/386060222.db2.gz VOIYVHPJAPLYLN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO C[N@@H+](CCCc1ccccc1)Cc1cnn[nH]1 ZINC000295613430 386060229 /nfs/dbraw/zinc/06/02/29/386060229.db2.gz VOIYVHPJAPLYLN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO C[N@H+](CCCc1ccccc1)Cc1c[nH]nn1 ZINC000295613430 386060236 /nfs/dbraw/zinc/06/02/36/386060236.db2.gz VOIYVHPJAPLYLN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO C[N@@H+](CCCc1ccccc1)Cc1c[nH]nn1 ZINC000295613430 386060242 /nfs/dbraw/zinc/06/02/42/386060242.db2.gz VOIYVHPJAPLYLN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO C[N@H+](CCCc1ccccc1)Cc1cn[nH]n1 ZINC000295613430 386060249 /nfs/dbraw/zinc/06/02/49/386060249.db2.gz VOIYVHPJAPLYLN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO C[N@@H+](CCCc1ccccc1)Cc1cn[nH]n1 ZINC000295613430 386060255 /nfs/dbraw/zinc/06/02/55/386060255.db2.gz VOIYVHPJAPLYLN-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1C[C@@H]1C ZINC000334442136 386061090 /nfs/dbraw/zinc/06/10/90/386061090.db2.gz COXIQJRQRMGCRM-WPRPVWTQSA-N 1 2 204.273 1.797 20 0 BDADLO C(C[N@@H+]1CCOCC12CC2)O[C@H]1CCCCO1 ZINC000338591313 386064698 /nfs/dbraw/zinc/06/46/98/386064698.db2.gz FSLFNQOTWULTKI-LBPRGKRZSA-N 1 2 241.331 1.394 20 0 BDADLO C(C[N@H+]1CCOCC12CC2)O[C@H]1CCCCO1 ZINC000338591313 386064703 /nfs/dbraw/zinc/06/47/03/386064703.db2.gz FSLFNQOTWULTKI-LBPRGKRZSA-N 1 2 241.331 1.394 20 0 BDADLO CO[C@H](CC(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000415372082 386065049 /nfs/dbraw/zinc/06/50/49/386065049.db2.gz UHZGSDIOOZAXEI-GFCCVEGCSA-N 1 2 236.315 1.812 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338592211 386066566 /nfs/dbraw/zinc/06/65/66/386066566.db2.gz LBLYKCRABYGJKX-ZYHUDNBSSA-N 1 2 247.310 1.125 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@](F)(CO)C1 ZINC000338592211 386066573 /nfs/dbraw/zinc/06/65/73/386066573.db2.gz LBLYKCRABYGJKX-ZYHUDNBSSA-N 1 2 247.310 1.125 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C)C(C)C)C2 ZINC000365367787 386067255 /nfs/dbraw/zinc/06/72/55/386067255.db2.gz JNIHDZCGDSGPSC-RYUDHWBXSA-N 1 2 249.358 1.915 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000274093059 386071089 /nfs/dbraw/zinc/07/10/89/386071089.db2.gz ISQGIUGESKDXOV-NSHDSACASA-N 1 2 243.328 1.289 20 0 BDADLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000274093059 386071093 /nfs/dbraw/zinc/07/10/93/386071093.db2.gz ISQGIUGESKDXOV-NSHDSACASA-N 1 2 243.328 1.289 20 0 BDADLO COc1nccnc1CNc1c[nH+]ccc1C ZINC000295700813 386073211 /nfs/dbraw/zinc/07/32/11/386073211.db2.gz MITPZLNLMZBUHP-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CC[C@H](C)O ZINC000425445249 386078439 /nfs/dbraw/zinc/07/84/39/386078439.db2.gz MMEXFRHKFHTMKN-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CC[C@H](C)O ZINC000425445249 386078444 /nfs/dbraw/zinc/07/84/44/386078444.db2.gz MMEXFRHKFHTMKN-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000440689871 386080022 /nfs/dbraw/zinc/08/00/22/386080022.db2.gz DXLSWFZNBARZDG-NEPJUHHUSA-N 1 2 241.310 1.332 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000440689871 386080026 /nfs/dbraw/zinc/08/00/26/386080026.db2.gz DXLSWFZNBARZDG-NEPJUHHUSA-N 1 2 241.310 1.332 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000366106163 386080732 /nfs/dbraw/zinc/08/07/32/386080732.db2.gz XCWQGNHPFHVEPZ-LLVKDONJSA-N 1 2 238.335 1.327 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCOC[C@H](C)C1 ZINC000366106163 386080735 /nfs/dbraw/zinc/08/07/35/386080735.db2.gz XCWQGNHPFHVEPZ-LLVKDONJSA-N 1 2 238.335 1.327 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000334446502 386081366 /nfs/dbraw/zinc/08/13/66/386081366.db2.gz HCZZBJCEZGXAAZ-YPMHNXCESA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000334446502 386081370 /nfs/dbraw/zinc/08/13/70/386081370.db2.gz HCZZBJCEZGXAAZ-YPMHNXCESA-N 1 2 242.338 1.821 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H]1CCOC1 ZINC000287438389 386122670 /nfs/dbraw/zinc/12/26/70/386122670.db2.gz HETCNIJEYGODSC-LLVKDONJSA-N 1 2 249.314 1.951 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@H]1C=CCCC1 ZINC000286991647 386090053 /nfs/dbraw/zinc/09/00/53/386090053.db2.gz PNYFLTDNWPRTIS-JTQLQIEISA-N 1 2 206.293 1.356 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@H]1C=CCCC1 ZINC000286991647 386090059 /nfs/dbraw/zinc/09/00/59/386090059.db2.gz PNYFLTDNWPRTIS-JTQLQIEISA-N 1 2 206.293 1.356 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncc(F)c2)CCO1 ZINC000274361520 386094961 /nfs/dbraw/zinc/09/49/61/386094961.db2.gz NPVVRCGWBJPDAI-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncc(F)c2)CCO1 ZINC000274361520 386094967 /nfs/dbraw/zinc/09/49/67/386094967.db2.gz NPVVRCGWBJPDAI-LBPRGKRZSA-N 1 2 224.279 1.832 20 0 BDADLO Cc1nsc(SC[C@H]2C[N@H+](C)CCO2)n1 ZINC000645273274 386099502 /nfs/dbraw/zinc/09/95/02/386099502.db2.gz FVBUPTKHUWSGSO-MRVPVSSYSA-N 1 2 245.373 1.269 20 0 BDADLO Cc1nsc(SC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000645273274 386099506 /nfs/dbraw/zinc/09/95/06/386099506.db2.gz FVBUPTKHUWSGSO-MRVPVSSYSA-N 1 2 245.373 1.269 20 0 BDADLO COc1nccc(C[N@H+](C(C)C)C2COC2)n1 ZINC000296184125 386145091 /nfs/dbraw/zinc/14/50/91/386145091.db2.gz XZUUUDCTZTWNFU-UHFFFAOYSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@@H+](C(C)C)C2COC2)n1 ZINC000296184125 386145096 /nfs/dbraw/zinc/14/50/96/386145096.db2.gz XZUUUDCTZTWNFU-UHFFFAOYSA-N 1 2 237.303 1.094 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)o1 ZINC000190093287 386146785 /nfs/dbraw/zinc/14/67/85/386146785.db2.gz QBXOFAXDAUVHOX-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)o1 ZINC000190093287 386146787 /nfs/dbraw/zinc/14/67/87/386146787.db2.gz QBXOFAXDAUVHOX-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287787842 386148175 /nfs/dbraw/zinc/14/81/75/386148175.db2.gz IIRVEPVGRKGFPP-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335156374 386149706 /nfs/dbraw/zinc/14/97/06/386149706.db2.gz OXBIEVPUQFQWCI-UWVGGRQHSA-N 1 2 209.318 1.408 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335156374 386149711 /nfs/dbraw/zinc/14/97/11/386149711.db2.gz OXBIEVPUQFQWCI-UWVGGRQHSA-N 1 2 209.318 1.408 20 0 BDADLO CO[C@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296219406 386152313 /nfs/dbraw/zinc/15/23/13/386152313.db2.gz ROZJNQJHTYLILO-MRVPVSSYSA-N 1 2 248.282 1.822 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)nn1 ZINC000414367509 386164086 /nfs/dbraw/zinc/16/40/86/386164086.db2.gz FHHYIDABSCMQFQ-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)nn1 ZINC000414367509 386164091 /nfs/dbraw/zinc/16/40/91/386164091.db2.gz FHHYIDABSCMQFQ-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000288131205 386171086 /nfs/dbraw/zinc/17/10/86/386171086.db2.gz QCSRGIXDCWXHFH-JTQLQIEISA-N 1 2 239.319 1.130 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)nc2)n1 ZINC000340539657 386177709 /nfs/dbraw/zinc/17/77/09/386177709.db2.gz CPEOFMUZPJBYEM-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Cc1nnc(NCc2cccc3[nH+]ccn32)n1C ZINC000275058097 386177603 /nfs/dbraw/zinc/17/76/03/386177603.db2.gz QEWCLBPPSYBBOL-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CCC[C@@H]1C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288228061 386177780 /nfs/dbraw/zinc/17/77/80/386177780.db2.gz VGINBPSQHMEQOQ-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000338930144 386181767 /nfs/dbraw/zinc/18/17/67/386181767.db2.gz JUYSHMPGUYZJMV-FMSGJZPZSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)nc1 ZINC000346191788 386181918 /nfs/dbraw/zinc/18/19/18/386181918.db2.gz QPGFJEFCHBMDQF-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)nc1 ZINC000346191788 386181922 /nfs/dbraw/zinc/18/19/22/386181922.db2.gz QPGFJEFCHBMDQF-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)no1 ZINC000366933716 386184093 /nfs/dbraw/zinc/18/40/93/386184093.db2.gz MBKNQKQPXZLEHJ-MNOVXSKESA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)no1 ZINC000366933716 386184096 /nfs/dbraw/zinc/18/40/96/386184096.db2.gz MBKNQKQPXZLEHJ-MNOVXSKESA-N 1 2 237.303 1.521 20 0 BDADLO Cc1cc(NCCOC(F)(F)F)nc[nH+]1 ZINC000336738675 386184225 /nfs/dbraw/zinc/18/42/25/386184225.db2.gz RLBCEZRSDZXTSH-UHFFFAOYSA-N 1 2 221.182 1.155 20 0 BDADLO CCc1noc(C)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000647930297 386129601 /nfs/dbraw/zinc/12/96/01/386129601.db2.gz YEELEHRGHHQBSA-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000310130944 386130505 /nfs/dbraw/zinc/13/05/05/386130505.db2.gz YTOYXPNNNJJQCS-OYNCUSHFSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H](C)C[C@@H]2C)[nH+]1 ZINC000310130944 386130511 /nfs/dbraw/zinc/13/05/11/386130511.db2.gz YTOYXPNNNJJQCS-OYNCUSHFSA-N 1 2 235.335 1.999 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425463682 386132474 /nfs/dbraw/zinc/13/24/74/386132474.db2.gz WRICBSJZNRLBCJ-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000425463682 386132479 /nfs/dbraw/zinc/13/24/79/386132479.db2.gz WRICBSJZNRLBCJ-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO Cc1cc(NC[C@@H](CO)C2CCCCC2)nc[nH+]1 ZINC000338766597 386134116 /nfs/dbraw/zinc/13/41/16/386134116.db2.gz MZIRICXIGINXSM-ZDUSSCGKSA-N 1 2 249.358 1.808 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000274655117 386136969 /nfs/dbraw/zinc/13/69/69/386136969.db2.gz FKAOVQAPSVOMND-IUCAKERBSA-N 1 2 207.277 1.318 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365510028 386140361 /nfs/dbraw/zinc/14/03/61/386140361.db2.gz BLGWAAMNRDRIAK-RAIGVLPGSA-N 1 2 246.310 1.717 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCC[C@H]1O ZINC000287667801 386141000 /nfs/dbraw/zinc/14/10/00/386141000.db2.gz XJEKDUFJKAHTHU-GHMZBOCLSA-N 1 2 249.314 1.733 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000190073748 386141995 /nfs/dbraw/zinc/14/19/95/386141995.db2.gz BZIZIQPGTXGWDD-YPMHNXCESA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000190073748 386142000 /nfs/dbraw/zinc/14/20/00/386142000.db2.gz BZIZIQPGTXGWDD-YPMHNXCESA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cc(N2CC[S@](=O)[C@H](C)[C@H]2C)nc[nH+]1 ZINC000347050700 386203961 /nfs/dbraw/zinc/20/39/61/386203961.db2.gz UGFWOZFHQQAFFI-LYGAQUJYSA-N 1 2 239.344 1.131 20 0 BDADLO CO[C@H](C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000131479182 386206763 /nfs/dbraw/zinc/20/67/63/386206763.db2.gz HFKHBFQXDSTARF-SNVBAGLBSA-N 1 2 239.319 1.190 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC1(C)CCCC1 ZINC000264124936 386210116 /nfs/dbraw/zinc/21/01/16/386210116.db2.gz HNSGFDPBDBVTSP-UHFFFAOYSA-N 1 2 236.319 1.552 20 0 BDADLO C[N@H+](CCCO)Cc1cc(F)ncc1F ZINC000297029836 386221463 /nfs/dbraw/zinc/22/14/63/386221463.db2.gz XJKYEIVMHNQFIX-UHFFFAOYSA-N 1 2 216.231 1.174 20 0 BDADLO C[N@@H+](CCCO)Cc1cc(F)ncc1F ZINC000297029836 386221466 /nfs/dbraw/zinc/22/14/66/386221466.db2.gz XJKYEIVMHNQFIX-UHFFFAOYSA-N 1 2 216.231 1.174 20 0 BDADLO Cc1cncc(NCc2[nH+]ccn2C)c1 ZINC000125093203 386221757 /nfs/dbraw/zinc/22/17/57/386221757.db2.gz ZAVGZYRCVFEIAN-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO CC(F)(F)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000288646844 386224520 /nfs/dbraw/zinc/22/45/20/386224520.db2.gz UTXLTAFMCDKLIG-UHFFFAOYSA-N 1 2 239.225 1.606 20 0 BDADLO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)ns1 ZINC000297164507 386231392 /nfs/dbraw/zinc/23/13/92/386231392.db2.gz SQTAOADPXFZSRM-UHFFFAOYSA-N 1 2 239.344 1.274 20 0 BDADLO CCC[C@@]1(CO)CCN(c2cc[nH+]c(C)n2)C1 ZINC000288820856 386234239 /nfs/dbraw/zinc/23/42/39/386234239.db2.gz HMXWROBQLYPUSA-CYBMUJFWSA-N 1 2 235.331 1.774 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264470248 386240026 /nfs/dbraw/zinc/24/00/26/386240026.db2.gz QUGXXSFTBZXRST-GXFFZTMASA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264470248 386240029 /nfs/dbraw/zinc/24/00/29/386240029.db2.gz QUGXXSFTBZXRST-GXFFZTMASA-N 1 2 249.285 1.931 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339089630 386240507 /nfs/dbraw/zinc/24/05/07/386240507.db2.gz ALSWYXSIZPVULN-GHMZBOCLSA-N 1 2 237.347 1.904 20 0 BDADLO C=Cn1cc(C[NH+]2CC(OCC)C2)cn1 ZINC000297339086 386243135 /nfs/dbraw/zinc/24/31/35/386243135.db2.gz DYZJJLWDJVTAJF-UHFFFAOYSA-N 1 2 207.277 1.204 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)NC(C)C ZINC000080564199 386243242 /nfs/dbraw/zinc/24/32/42/386243242.db2.gz SIQYFDRSQXGUBD-UHFFFAOYSA-N 1 2 238.335 1.747 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CC[C@@H](O)C2)c1Cl ZINC000236392255 386261023 /nfs/dbraw/zinc/26/10/23/386261023.db2.gz DHXMRFVPIPQUPC-RNFRBKRXSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CC[C@@H](O)C2)c1Cl ZINC000236392255 386261027 /nfs/dbraw/zinc/26/10/27/386261027.db2.gz DHXMRFVPIPQUPC-RNFRBKRXSA-N 1 2 242.710 1.285 20 0 BDADLO CC(C)[N@H+](CC(F)F)C[C@H]1COCCO1 ZINC000336643565 386248495 /nfs/dbraw/zinc/24/84/95/386248495.db2.gz CYFARGXLEJBYLO-VIFPVBQESA-N 1 2 223.263 1.377 20 0 BDADLO CC(C)[N@@H+](CC(F)F)C[C@H]1COCCO1 ZINC000336643565 386248499 /nfs/dbraw/zinc/24/84/99/386248499.db2.gz CYFARGXLEJBYLO-VIFPVBQESA-N 1 2 223.263 1.377 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1=CCCCC1 ZINC000275873927 386250289 /nfs/dbraw/zinc/25/02/89/386250289.db2.gz ZGHUQHSOFWWCFA-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO Cc1noc(C)c1C(=O)NC1C[NH+](C(C)C)C1 ZINC000275235492 386194776 /nfs/dbraw/zinc/19/47/76/386194776.db2.gz NGHJPHPQADVLAE-UHFFFAOYSA-N 1 2 237.303 1.114 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366217680 386195378 /nfs/dbraw/zinc/19/53/78/386195378.db2.gz NLEVZWWYHYNTSO-MRTMQBJTSA-N 1 2 219.288 1.354 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366217680 386195383 /nfs/dbraw/zinc/19/53/83/386195383.db2.gz NLEVZWWYHYNTSO-MRTMQBJTSA-N 1 2 219.288 1.354 20 0 BDADLO Cc1cc(NC[C@H](C)CC(F)F)nc[nH+]1 ZINC000645305565 386195668 /nfs/dbraw/zinc/19/56/68/386195668.db2.gz YIKKDUAWYSSRIT-SSDOTTSWSA-N 1 2 215.247 1.910 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2cc[nH]n2)nc1 ZINC000338993289 386197335 /nfs/dbraw/zinc/19/73/35/386197335.db2.gz QYLIQRFGUXPYJS-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2cc[nH]n2)nc1 ZINC000338993289 386197340 /nfs/dbraw/zinc/19/73/40/386197340.db2.gz QYLIQRFGUXPYJS-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CO[C@H]1CCC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000340583547 386282566 /nfs/dbraw/zinc/28/25/66/386282566.db2.gz HNJGMJYCILAMBR-ONGXEEELSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@H]1CCC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000340583547 386282573 /nfs/dbraw/zinc/28/25/73/386282573.db2.gz HNJGMJYCILAMBR-ONGXEEELSA-N 1 2 237.303 1.231 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356302340 386283494 /nfs/dbraw/zinc/28/34/94/386283494.db2.gz NHBNVZVDNOHAJE-ZDUSSCGKSA-N 1 2 249.310 1.768 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356302340 386283499 /nfs/dbraw/zinc/28/34/99/386283499.db2.gz NHBNVZVDNOHAJE-ZDUSSCGKSA-N 1 2 249.310 1.768 20 0 BDADLO FC(F)COCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000276207081 386283569 /nfs/dbraw/zinc/28/35/69/386283569.db2.gz KCVOJFYAUMPTLT-UHFFFAOYSA-N 1 2 231.246 1.050 20 0 BDADLO FC(F)COCC[N@H+]1CCc2n[nH]cc2C1 ZINC000276207081 386283572 /nfs/dbraw/zinc/28/35/72/386283572.db2.gz KCVOJFYAUMPTLT-UHFFFAOYSA-N 1 2 231.246 1.050 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](OC)C2)cs1 ZINC000336664169 386284277 /nfs/dbraw/zinc/28/42/77/386284277.db2.gz DXEBMORWJQSCCI-SNVBAGLBSA-N 1 2 242.344 1.510 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](OC)C2)cs1 ZINC000336664169 386284280 /nfs/dbraw/zinc/28/42/80/386284280.db2.gz DXEBMORWJQSCCI-SNVBAGLBSA-N 1 2 242.344 1.510 20 0 BDADLO CCC(CC)[C@H](O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264934463 386285275 /nfs/dbraw/zinc/28/52/75/386285275.db2.gz OOMDNSCNPAXAIX-LLVKDONJSA-N 1 2 239.319 1.245 20 0 BDADLO CC(C)[N@H+](CCc1cn[nH]c1)CC(F)F ZINC000297921079 386286289 /nfs/dbraw/zinc/28/62/89/386286289.db2.gz TVBSGTUELAEUOH-UHFFFAOYSA-N 1 2 217.263 1.928 20 0 BDADLO CC(C)[N@@H+](CCc1cn[nH]c1)CC(F)F ZINC000297921079 386286291 /nfs/dbraw/zinc/28/62/91/386286291.db2.gz TVBSGTUELAEUOH-UHFFFAOYSA-N 1 2 217.263 1.928 20 0 BDADLO Cc1occc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000276262284 386293885 /nfs/dbraw/zinc/29/38/85/386293885.db2.gz MAMODKFMSGIODX-UHFFFAOYSA-N 1 2 240.284 1.295 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C)(C)C[C@@H]1C ZINC000335264491 386297330 /nfs/dbraw/zinc/29/73/30/386297330.db2.gz KLASFSGWRGXQRI-VIFPVBQESA-N 1 2 235.331 1.908 20 0 BDADLO CCC(=O)N1CC[N@H+](CCOC2CCC2)C1 ZINC000425518672 386308227 /nfs/dbraw/zinc/30/82/27/386308227.db2.gz ZSBVOBBWPJKMRX-UHFFFAOYSA-N 1 2 226.320 1.067 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCOC2CCC2)C1 ZINC000425518672 386308233 /nfs/dbraw/zinc/30/82/33/386308233.db2.gz ZSBVOBBWPJKMRX-UHFFFAOYSA-N 1 2 226.320 1.067 20 0 BDADLO CCCC[N@H+](CCCO)Cc1cn[nH]c1C ZINC000289473693 386309630 /nfs/dbraw/zinc/30/96/30/386309630.db2.gz PRRBLCFKLTVFGU-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO CCCC[N@@H+](CCCO)Cc1cn[nH]c1C ZINC000289473693 386309634 /nfs/dbraw/zinc/30/96/34/386309634.db2.gz PRRBLCFKLTVFGU-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N2CCC2)o1 ZINC000298265345 386314839 /nfs/dbraw/zinc/31/48/39/386314839.db2.gz CRLWBAZZDGZERB-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCC2)o1 ZINC000298265345 386314844 /nfs/dbraw/zinc/31/48/44/386314844.db2.gz CRLWBAZZDGZERB-UHFFFAOYSA-N 1 2 222.288 1.252 20 0 BDADLO CC(C)([NH3+])C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000236816939 386315743 /nfs/dbraw/zinc/31/57/43/386315743.db2.gz DCYHSAQUQYXOTL-UHFFFAOYSA-N 1 2 245.286 1.148 20 0 BDADLO c1cncc(C[N@H+](C2CC2)C2COC2)c1 ZINC000289527498 386322550 /nfs/dbraw/zinc/32/25/50/386322550.db2.gz GJRTXQLGQSNTJQ-UHFFFAOYSA-N 1 2 204.273 1.445 20 0 BDADLO c1cncc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000289527498 386322554 /nfs/dbraw/zinc/32/25/54/386322554.db2.gz GJRTXQLGQSNTJQ-UHFFFAOYSA-N 1 2 204.273 1.445 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000289526463 386323240 /nfs/dbraw/zinc/32/32/40/386323240.db2.gz HJOLYWFNPMBBKQ-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000289526463 386323245 /nfs/dbraw/zinc/32/32/45/386323245.db2.gz HJOLYWFNPMBBKQ-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC=CCC2)c[nH+]1 ZINC000264700564 386264569 /nfs/dbraw/zinc/26/45/69/386264569.db2.gz BVRYVSXIFNPBMI-JTQLQIEISA-N 1 2 219.288 1.804 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000336651180 386267489 /nfs/dbraw/zinc/26/74/89/386267489.db2.gz UPJPQQZFAQWAAH-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000336651180 386267493 /nfs/dbraw/zinc/26/74/93/386267493.db2.gz UPJPQQZFAQWAAH-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1CCOC1CCC1 ZINC000347162503 386267631 /nfs/dbraw/zinc/26/76/31/386267631.db2.gz JGBGBJYWEVUWSD-SNVBAGLBSA-N 1 2 249.301 1.912 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1CCOC1CCC1 ZINC000347162503 386267635 /nfs/dbraw/zinc/26/76/35/386267635.db2.gz JGBGBJYWEVUWSD-SNVBAGLBSA-N 1 2 249.301 1.912 20 0 BDADLO C[C@H]1C[N@H+](CCOC2CCC2)CCC1=O ZINC000347164494 386267887 /nfs/dbraw/zinc/26/78/87/386267887.db2.gz KIEATEXKSMOCEF-JTQLQIEISA-N 1 2 211.305 1.466 20 0 BDADLO C[C@H]1C[N@@H+](CCOC2CCC2)CCC1=O ZINC000347164494 386267892 /nfs/dbraw/zinc/26/78/92/386267892.db2.gz KIEATEXKSMOCEF-JTQLQIEISA-N 1 2 211.305 1.466 20 0 BDADLO Cc1occc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000414392280 386268148 /nfs/dbraw/zinc/26/81/48/386268148.db2.gz BKSGNAWGBHCYDV-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000414392280 386268154 /nfs/dbraw/zinc/26/81/54/386268154.db2.gz BKSGNAWGBHCYDV-SKDRFNHKSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)CCc1nccs1 ZINC000340576708 386269682 /nfs/dbraw/zinc/26/96/82/386269682.db2.gz VORKQQRZQLZHRY-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)CCc1nccs1 ZINC000340576708 386269686 /nfs/dbraw/zinc/26/96/86/386269686.db2.gz VORKQQRZQLZHRY-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H]1C1CC1 ZINC000339169817 386276272 /nfs/dbraw/zinc/27/62/72/386276272.db2.gz PQWLZHWYRIXXHS-NEPJUHHUSA-N 1 2 233.315 1.267 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1csnn1 ZINC000289245450 386277084 /nfs/dbraw/zinc/27/70/84/386277084.db2.gz DXFLZDZBEBRLRZ-SSDOTTSWSA-N 1 2 201.295 1.005 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1csnn1 ZINC000289245450 386277085 /nfs/dbraw/zinc/27/70/85/386277085.db2.gz DXFLZDZBEBRLRZ-SSDOTTSWSA-N 1 2 201.295 1.005 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000347350989 386345869 /nfs/dbraw/zinc/34/58/69/386345869.db2.gz JSWKYZYQTBRYFS-GFCCVEGCSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000347350989 386345872 /nfs/dbraw/zinc/34/58/72/386345872.db2.gz JSWKYZYQTBRYFS-GFCCVEGCSA-N 1 2 228.311 1.337 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H](C)O1 ZINC000336686527 386348312 /nfs/dbraw/zinc/34/83/12/386348312.db2.gz GGUHFISJEBXOFL-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H](C)O1 ZINC000336686527 386348316 /nfs/dbraw/zinc/34/83/16/386348316.db2.gz GGUHFISJEBXOFL-AAEUAGOBSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1ccncc1NC(=O)CCc1c[nH+]cn1C ZINC000276606629 386350810 /nfs/dbraw/zinc/35/08/10/386350810.db2.gz PANYYTWEAWXRBN-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1CCCC1 ZINC000276606560 386352193 /nfs/dbraw/zinc/35/21/93/386352193.db2.gz OZUAUNYLBRCSHC-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CCO[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276629744 386357952 /nfs/dbraw/zinc/35/79/52/386357952.db2.gz PGCRKMQKCFSAKX-ZJUUUORDSA-N 1 2 239.319 1.648 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC[C@@H]1O ZINC000276656362 386359323 /nfs/dbraw/zinc/35/93/23/386359323.db2.gz XJUSONXUDMNWCW-FANORHCKSA-N 1 2 249.314 1.090 20 0 BDADLO CSCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366667361 386359853 /nfs/dbraw/zinc/35/98/53/386359853.db2.gz VHFHGKKXNMSQEN-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CSCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366667361 386359861 /nfs/dbraw/zinc/35/98/61/386359861.db2.gz VHFHGKKXNMSQEN-QMMMGPOBSA-N 1 2 225.304 1.441 20 0 BDADLO CC(C)CNC(=O)CCc1c[nH+]cn1C ZINC000276659784 386359983 /nfs/dbraw/zinc/35/99/83/386359983.db2.gz MKDPKMUGORYCDR-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC[C@H]1O ZINC000276656364 386360652 /nfs/dbraw/zinc/36/06/52/386360652.db2.gz XJUSONXUDMNWCW-PLWSPRCSSA-N 1 2 249.314 1.090 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1nc(C3CC3)no1)C2 ZINC000647933468 386361879 /nfs/dbraw/zinc/36/18/79/386361879.db2.gz OTSZSFFSXLCFBT-UHFFFAOYSA-N 1 2 245.286 1.228 20 0 BDADLO C[C@H](CNC(=O)C(C)(C)C)Cn1cc[nH+]c1 ZINC000265732059 386362116 /nfs/dbraw/zinc/36/21/16/386362116.db2.gz BVTFQRUNUVAPFL-SNVBAGLBSA-N 1 2 223.320 1.682 20 0 BDADLO CC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000276732633 386370100 /nfs/dbraw/zinc/37/01/00/386370100.db2.gz UAVMGRAIHSUHKM-SECBINFHSA-N 1 2 209.293 1.267 20 0 BDADLO C[C@@H](CNC(=O)C1CCC1)Cn1cc[nH+]c1 ZINC000265799855 386371101 /nfs/dbraw/zinc/37/11/01/386371101.db2.gz WLJFJJFRVNHZOR-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO CO[C@H]1C[NH+](Cc2nc(C)c(C)o2)C[C@@H]1OC ZINC000336690037 386372382 /nfs/dbraw/zinc/37/23/82/386372382.db2.gz CKHZIIFTASIWAL-QWRGUYRKSA-N 1 2 240.303 1.137 20 0 BDADLO Cc1nc(N[C@H](C)c2ccsc2)nc(N)[nH+]1 ZINC000201438067 386372586 /nfs/dbraw/zinc/37/25/86/386372586.db2.gz IOGTXUPPVXINDY-ZCFIWIBFSA-N 1 2 235.316 1.997 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)c2ccsc2)[nH+]1 ZINC000201438067 386372591 /nfs/dbraw/zinc/37/25/91/386372591.db2.gz IOGTXUPPVXINDY-ZCFIWIBFSA-N 1 2 235.316 1.997 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000289943215 386374714 /nfs/dbraw/zinc/37/47/14/386374714.db2.gz XHSNPGMNXYYLMY-GFCCVEGCSA-N 1 2 239.294 1.280 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000289943215 386374720 /nfs/dbraw/zinc/37/47/20/386374720.db2.gz XHSNPGMNXYYLMY-GFCCVEGCSA-N 1 2 239.294 1.280 20 0 BDADLO CC(C)=CC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000276815629 386377825 /nfs/dbraw/zinc/37/78/25/386377825.db2.gz NVGHBEDVWHVBRM-JTQLQIEISA-N 1 2 206.293 1.621 20 0 BDADLO CC(C)=CC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000276815629 386377827 /nfs/dbraw/zinc/37/78/27/386377827.db2.gz NVGHBEDVWHVBRM-JTQLQIEISA-N 1 2 206.293 1.621 20 0 BDADLO Cc1nc(NC2C[C@H](C)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000310231149 386378356 /nfs/dbraw/zinc/37/83/56/386378356.db2.gz JQHYECHNVMCNHC-HTQZYQBOSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(NC2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000310231149 386378362 /nfs/dbraw/zinc/37/83/62/386378362.db2.gz JQHYECHNVMCNHC-HTQZYQBOSA-N 1 2 235.335 1.999 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C(=O)N(C)C ZINC000276836116 386381835 /nfs/dbraw/zinc/38/18/35/386381835.db2.gz VUHIAVWNZFFBMF-QMMMGPOBSA-N 1 2 234.303 1.243 20 0 BDADLO Cn1nccc1C1=CC[N@H+](Cc2cocn2)CC1 ZINC000289558718 386326435 /nfs/dbraw/zinc/32/64/35/386326435.db2.gz RQJQLPAIMRGYHE-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cn1nccc1C1=CC[N@@H+](Cc2cocn2)CC1 ZINC000289558718 386326439 /nfs/dbraw/zinc/32/64/39/386326439.db2.gz RQJQLPAIMRGYHE-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000347336061 386332786 /nfs/dbraw/zinc/33/27/86/386332786.db2.gz KWZLRJDPZANYLZ-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@](F)(CO)C2)cn1 ZINC000347336061 386332796 /nfs/dbraw/zinc/33/27/96/386332796.db2.gz KWZLRJDPZANYLZ-GFCCVEGCSA-N 1 2 239.294 1.081 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cs1 ZINC000336680505 386333062 /nfs/dbraw/zinc/33/30/62/386333062.db2.gz QPTNCDIXTANKRR-SCZZXKLOSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1nc(C[N@H+]2C[C@@H](O)C[C@H]2C)cs1 ZINC000336680505 386333068 /nfs/dbraw/zinc/33/30/68/386333068.db2.gz QPTNCDIXTANKRR-SCZZXKLOSA-N 1 2 242.344 1.245 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000289613699 386334644 /nfs/dbraw/zinc/33/46/44/386334644.db2.gz JOJBAPVNNOKLGN-LLVKDONJSA-N 1 2 236.315 1.474 20 0 BDADLO Cc1noc(C)c1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276515389 386337615 /nfs/dbraw/zinc/33/76/15/386337615.db2.gz BWAHMLBUGLHLRR-ONEGZZNKSA-N 1 2 246.270 1.344 20 0 BDADLO Cc1nc(N(C)CCn2cccn2)cc[nH+]1 ZINC000266462591 386439826 /nfs/dbraw/zinc/43/98/26/386439826.db2.gz YYJCZXNOYZFYDB-UHFFFAOYSA-N 1 2 217.276 1.118 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@H]1C ZINC000519422590 386440294 /nfs/dbraw/zinc/44/02/94/386440294.db2.gz ZJRHZHDZNKPISD-OPRDCNLKSA-N 1 2 221.304 1.361 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@H]1C ZINC000519422590 386440300 /nfs/dbraw/zinc/44/03/00/386440300.db2.gz ZJRHZHDZNKPISD-OPRDCNLKSA-N 1 2 221.304 1.361 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000266553900 386449120 /nfs/dbraw/zinc/44/91/20/386449120.db2.gz VADRNGRVIGKLEY-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000266553900 386449124 /nfs/dbraw/zinc/44/91/24/386449124.db2.gz VADRNGRVIGKLEY-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO C[N@@H+](Cc1cocn1)C[C@@H]1CCCCO1 ZINC000277585256 386449339 /nfs/dbraw/zinc/44/93/39/386449339.db2.gz CBADVRZUJYGFBU-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO C[N@H+](Cc1cocn1)C[C@@H]1CCCCO1 ZINC000277585256 386449342 /nfs/dbraw/zinc/44/93/42/386449342.db2.gz CBADVRZUJYGFBU-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOCC1(C)C ZINC000290534383 386449589 /nfs/dbraw/zinc/44/95/89/386449589.db2.gz VMGXINSEHKAVJJ-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOCC1(C)C ZINC000290534383 386449592 /nfs/dbraw/zinc/44/95/92/386449592.db2.gz VMGXINSEHKAVJJ-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H](C)C2CC2)nc[nH+]1 ZINC000298824889 386388796 /nfs/dbraw/zinc/38/87/96/386388796.db2.gz GXJCQSACMOQILG-RKDXNWHRSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H](C)C2CC2)[nH+]cn1 ZINC000298824889 386388798 /nfs/dbraw/zinc/38/87/98/386388798.db2.gz GXJCQSACMOQILG-RKDXNWHRSA-N 1 2 236.319 1.480 20 0 BDADLO CN(CC1CC1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000298862369 386392783 /nfs/dbraw/zinc/39/27/83/386392783.db2.gz PYFDIVLVMMVDDH-UHFFFAOYSA-N 1 2 243.310 1.745 20 0 BDADLO CN(C(=O)Cc1cn2ccccc2[nH+]1)C1CCC1 ZINC000266058947 386395812 /nfs/dbraw/zinc/39/58/12/386395812.db2.gz QABNXFVIRAQJRG-UHFFFAOYSA-N 1 2 243.310 1.888 20 0 BDADLO Cn1ncc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000290102314 386396745 /nfs/dbraw/zinc/39/67/45/386396745.db2.gz XBEUKGPFYFUQFQ-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO Cn1ncc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000290102314 386396753 /nfs/dbraw/zinc/39/67/53/386396753.db2.gz XBEUKGPFYFUQFQ-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO C[C@H](CO)CSc1[nH+]cnc2[nH]ccc21 ZINC000266120576 386401323 /nfs/dbraw/zinc/40/13/23/386401323.db2.gz MNSVJFWIFGYUQZ-SSDOTTSWSA-N 1 2 223.301 1.678 20 0 BDADLO Cc1occc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000414426264 386402465 /nfs/dbraw/zinc/40/24/65/386402465.db2.gz CBLXJZRDEPOGPH-UHFFFAOYSA-N 1 2 247.302 1.274 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCCC3)C2)nn1C ZINC000336702465 386406460 /nfs/dbraw/zinc/40/64/60/386406460.db2.gz IARKSAPTPAICHQ-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCCC3)C2)nn1C ZINC000336702465 386406468 /nfs/dbraw/zinc/40/64/68/386406468.db2.gz IARKSAPTPAICHQ-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO Cc1cnc(CN(C)Cc2[nH+]ccn2C)nc1 ZINC000336702357 386408552 /nfs/dbraw/zinc/40/85/52/386408552.db2.gz MGBKKZVVKUHNNE-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2CO)o1 ZINC000336707220 386409944 /nfs/dbraw/zinc/40/99/44/386409944.db2.gz SGIFAGPOXRUMJQ-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H]2CO)o1 ZINC000336707220 386409949 /nfs/dbraw/zinc/40/99/49/386409949.db2.gz SGIFAGPOXRUMJQ-VIFPVBQESA-N 1 2 225.292 1.150 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)nn1 ZINC000414429593 386423198 /nfs/dbraw/zinc/42/31/98/386423198.db2.gz LOEWMTGAHVNWJO-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)nn1 ZINC000414429593 386423203 /nfs/dbraw/zinc/42/32/03/386423203.db2.gz LOEWMTGAHVNWJO-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1c[nH]nc1C[N@H+](CCO)Cc1cccnc1 ZINC000290340015 386423382 /nfs/dbraw/zinc/42/33/82/386423382.db2.gz DLLZDYOSDUOOSE-UHFFFAOYSA-N 1 2 246.314 1.108 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](CCO)Cc1cccnc1 ZINC000290340015 386423387 /nfs/dbraw/zinc/42/33/87/386423387.db2.gz DLLZDYOSDUOOSE-UHFFFAOYSA-N 1 2 246.314 1.108 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000339433925 386423627 /nfs/dbraw/zinc/42/36/27/386423627.db2.gz SSYGRODMXVBKPH-QWRGUYRKSA-N 1 2 233.315 1.425 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000290345123 386423877 /nfs/dbraw/zinc/42/38/77/386423877.db2.gz FAAJDKTWUNYABH-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000290345123 386423882 /nfs/dbraw/zinc/42/38/82/386423882.db2.gz FAAJDKTWUNYABH-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000290345123 386423885 /nfs/dbraw/zinc/42/38/85/386423885.db2.gz FAAJDKTWUNYABH-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000290345123 386423890 /nfs/dbraw/zinc/42/38/90/386423890.db2.gz FAAJDKTWUNYABH-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000336713165 386428664 /nfs/dbraw/zinc/42/86/64/386428664.db2.gz OYORVWYTSRGPDK-ZDUSSCGKSA-N 1 2 242.326 1.632 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000336713165 386428670 /nfs/dbraw/zinc/42/86/70/386428670.db2.gz OYORVWYTSRGPDK-ZDUSSCGKSA-N 1 2 242.326 1.632 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)C[C@H]1CCCCO1 ZINC000290430654 386432834 /nfs/dbraw/zinc/43/28/34/386432834.db2.gz MZVXBBMTDPEDRR-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000290430654 386432841 /nfs/dbraw/zinc/43/28/41/386432841.db2.gz MZVXBBMTDPEDRR-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)nn1 ZINC000414432194 386433208 /nfs/dbraw/zinc/43/32/08/386433208.db2.gz ISOQZNLLNOAPCL-QJPTWQEYSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)nn1 ZINC000414432194 386433209 /nfs/dbraw/zinc/43/32/09/386433209.db2.gz ISOQZNLLNOAPCL-QJPTWQEYSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC000278453800 386530618 /nfs/dbraw/zinc/53/06/18/386530618.db2.gz NOIPYKGTBKYZBY-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncnn2CCF)[C@H]1C ZINC000339572418 386469148 /nfs/dbraw/zinc/46/91/48/386469148.db2.gz VDPLXFJCEZIELN-BDAKNGLRSA-N 1 2 212.272 1.088 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncnn2CCF)[C@H]1C ZINC000339572418 386469151 /nfs/dbraw/zinc/46/91/51/386469151.db2.gz VDPLXFJCEZIELN-BDAKNGLRSA-N 1 2 212.272 1.088 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC2CCC1CC2 ZINC000366409127 386469384 /nfs/dbraw/zinc/46/93/84/386469384.db2.gz ARTDDKCEOLGKPR-UHFFFAOYSA-N 1 2 247.342 1.754 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1CCC1 ZINC000299604820 386471059 /nfs/dbraw/zinc/47/10/59/386471059.db2.gz NKBDRPZAQGYGGB-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO C[C@]1(O)CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000277850297 386471147 /nfs/dbraw/zinc/47/11/47/386471147.db2.gz QTWLQVOMIARIDL-ZDUSSCGKSA-N 1 2 248.330 1.038 20 0 BDADLO C[C@]1(O)CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000277850297 386471149 /nfs/dbraw/zinc/47/11/49/386471149.db2.gz QTWLQVOMIARIDL-ZDUSSCGKSA-N 1 2 248.330 1.038 20 0 BDADLO COCc1noc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339579274 386471747 /nfs/dbraw/zinc/47/17/47/386471747.db2.gz BJKPNVTVRVFMNY-YUMQZZPRSA-N 1 2 211.265 1.056 20 0 BDADLO COCc1noc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339579274 386471748 /nfs/dbraw/zinc/47/17/48/386471748.db2.gz BJKPNVTVRVFMNY-YUMQZZPRSA-N 1 2 211.265 1.056 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)OC)C1(CC)CC ZINC000191073590 386474516 /nfs/dbraw/zinc/47/45/16/386474516.db2.gz UKGPKNNFIUNQQM-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3cn[nH]c3C)C2)c1 ZINC000290828532 386477569 /nfs/dbraw/zinc/47/75/69/386477569.db2.gz HJGGNTSWARXFMX-ZDUSSCGKSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cn[nH]c3C)C2)c1 ZINC000290828532 386477572 /nfs/dbraw/zinc/47/75/72/386477572.db2.gz HJGGNTSWARXFMX-ZDUSSCGKSA-N 1 2 245.330 1.670 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccco3)no2)C1 ZINC000417292622 386478803 /nfs/dbraw/zinc/47/88/03/386478803.db2.gz CSWMPAVVAWBQRT-SNVBAGLBSA-N 1 2 249.270 1.723 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(-c3ccco3)no2)C1 ZINC000417292622 386478810 /nfs/dbraw/zinc/47/88/10/386478810.db2.gz CSWMPAVVAWBQRT-SNVBAGLBSA-N 1 2 249.270 1.723 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339564371 386479154 /nfs/dbraw/zinc/47/91/54/386479154.db2.gz UVGHRUDAQCXMLA-YIZRAAEISA-N 1 2 225.292 1.617 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339564371 386479163 /nfs/dbraw/zinc/47/91/63/386479163.db2.gz UVGHRUDAQCXMLA-YIZRAAEISA-N 1 2 225.292 1.617 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000519539234 386486863 /nfs/dbraw/zinc/48/68/63/386486863.db2.gz GYVXIVDFNRNZOF-KGYLQXTDSA-N 1 2 247.342 1.606 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000227493456 386487120 /nfs/dbraw/zinc/48/71/20/386487120.db2.gz XSXCISCXBNDEDI-ZDUSSCGKSA-N 1 2 249.310 1.220 20 0 BDADLO C[NH+](C)Cc1nc(-c2ccc(O)cc2F)no1 ZINC000278066931 386488309 /nfs/dbraw/zinc/48/83/09/386488309.db2.gz FFNIFAVGXNZZDJ-UHFFFAOYSA-N 1 2 237.234 1.643 20 0 BDADLO Cc1ccncc1CCC[NH2+][C@]1(C)CCOC1=O ZINC000290929713 386488453 /nfs/dbraw/zinc/48/84/53/386488453.db2.gz OVCPXCNJFQCVNJ-CQSZACIVSA-N 1 2 248.326 1.618 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCO[C@@H](C)C1 ZINC000339585008 386489746 /nfs/dbraw/zinc/48/97/46/386489746.db2.gz RKGPJEMOQGRUQX-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+]1CCO[C@@H](C)C1 ZINC000339585008 386489754 /nfs/dbraw/zinc/48/97/54/386489754.db2.gz RKGPJEMOQGRUQX-WDEREUQCSA-N 1 2 229.320 1.295 20 0 BDADLO CCOc1nnc(C[N@H+](CC)[C@H](C)CO)s1 ZINC000339626314 386495615 /nfs/dbraw/zinc/49/56/15/386495615.db2.gz ZWEGDQZFHHSZEZ-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](CC)[C@H](C)CO)s1 ZINC000339626314 386495621 /nfs/dbraw/zinc/49/56/21/386495621.db2.gz ZWEGDQZFHHSZEZ-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000290994492 386495840 /nfs/dbraw/zinc/49/58/40/386495840.db2.gz AEFXJZNDCUXTDL-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000290994492 386495848 /nfs/dbraw/zinc/49/58/48/386495848.db2.gz AEFXJZNDCUXTDL-UHFFFAOYSA-N 1 2 244.298 1.377 20 0 BDADLO CCC[C@H](CC)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278182256 386497424 /nfs/dbraw/zinc/49/74/24/386497424.db2.gz DCOXAFYQUNICLK-QMMMGPOBSA-N 1 2 248.334 1.936 20 0 BDADLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000291006313 386499016 /nfs/dbraw/zinc/49/90/16/386499016.db2.gz ZLZXYKMWSAYDQB-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO CCC1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000267219665 386512490 /nfs/dbraw/zinc/51/24/90/386512490.db2.gz VSCZSTPBLQUHPL-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO COC[C@@H](O)CNc1cc[nH+]c2ccncc12 ZINC000267228241 386514677 /nfs/dbraw/zinc/51/46/77/386514677.db2.gz PJYPFIRGKKXWDL-VIFPVBQESA-N 1 2 233.271 1.049 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2CCCC[C@@H]2O)c1Cl ZINC000227849083 386516549 /nfs/dbraw/zinc/51/65/49/386516549.db2.gz IFAKRGUCNFVMMF-BQBZGAKWSA-N 1 2 242.710 1.428 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2CCCC[C@@H]2O)c1Cl ZINC000227849083 386516557 /nfs/dbraw/zinc/51/65/57/386516557.db2.gz IFAKRGUCNFVMMF-BQBZGAKWSA-N 1 2 242.710 1.428 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@H](C)C[C@H]1C ZINC000519644980 386521460 /nfs/dbraw/zinc/52/14/60/386521460.db2.gz JVGIBHPHGONUFJ-OPRDCNLKSA-N 1 2 221.304 1.598 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@H](C)C[C@H]1C ZINC000519644980 386521468 /nfs/dbraw/zinc/52/14/68/386521468.db2.gz JVGIBHPHGONUFJ-OPRDCNLKSA-N 1 2 221.304 1.598 20 0 BDADLO CSCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335452849 386526879 /nfs/dbraw/zinc/52/68/79/386526879.db2.gz XQMMYVUHGGXSSB-UHFFFAOYSA-N 1 2 239.344 1.479 20 0 BDADLO CSCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335452849 386526883 /nfs/dbraw/zinc/52/68/83/386526883.db2.gz XQMMYVUHGGXSSB-UHFFFAOYSA-N 1 2 239.344 1.479 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCOC[C@@H]1C ZINC000278453800 386530612 /nfs/dbraw/zinc/53/06/12/386530612.db2.gz NOIPYKGTBKYZBY-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO Cc1ccnc(C[N@H+](C)CCc2ccccn2)n1 ZINC000336724320 386456875 /nfs/dbraw/zinc/45/68/75/386456875.db2.gz ZRZDSAUOCHQLEU-UHFFFAOYSA-N 1 2 242.326 1.855 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CCc2ccccn2)n1 ZINC000336724320 386456880 /nfs/dbraw/zinc/45/68/80/386456880.db2.gz ZRZDSAUOCHQLEU-UHFFFAOYSA-N 1 2 242.326 1.855 20 0 BDADLO C[C@@H](CCO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000277686391 386458461 /nfs/dbraw/zinc/45/84/61/386458461.db2.gz FOCGXSVXNPRVDH-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO C[C@@H](CCO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000277686391 386458467 /nfs/dbraw/zinc/45/84/67/386458467.db2.gz FOCGXSVXNPRVDH-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000299511204 386461223 /nfs/dbraw/zinc/46/12/23/386461223.db2.gz TZBQUCNMIKTJDH-KWQFWETISA-N 1 2 236.271 1.454 20 0 BDADLO Cc1csc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000299549617 386463834 /nfs/dbraw/zinc/46/38/34/386463834.db2.gz XESNAXDUGUBZCF-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1csc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000299549617 386463841 /nfs/dbraw/zinc/46/38/41/386463841.db2.gz XESNAXDUGUBZCF-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)Cc1nccn1C ZINC000062256320 386576329 /nfs/dbraw/zinc/57/63/29/386576329.db2.gz ZOVYRLZIIJHQTD-SNVBAGLBSA-N 1 2 211.309 1.013 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)Cc1nccn1C ZINC000062256320 386576334 /nfs/dbraw/zinc/57/63/34/386576334.db2.gz ZOVYRLZIIJHQTD-SNVBAGLBSA-N 1 2 211.309 1.013 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C)s1 ZINC000062337272 386582177 /nfs/dbraw/zinc/58/21/77/386582177.db2.gz ZHIFTMQSUNVMSW-SNVBAGLBSA-N 1 2 240.328 1.589 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C)s1 ZINC000062337272 386582184 /nfs/dbraw/zinc/58/21/84/386582184.db2.gz ZHIFTMQSUNVMSW-SNVBAGLBSA-N 1 2 240.328 1.589 20 0 BDADLO COCC1(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CCC1 ZINC000643378481 386588524 /nfs/dbraw/zinc/58/85/24/386588524.db2.gz VADNDOQQEGPFHJ-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO COCC1(C[N@H+]2C[C@@H](O)CC(F)(F)C2)CCC1 ZINC000643378481 386588529 /nfs/dbraw/zinc/58/85/29/386588529.db2.gz VADNDOQQEGPFHJ-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CC(C(=O)NCc1[nH]cc[nH+]1)=C1CCCC1 ZINC000267848300 386590810 /nfs/dbraw/zinc/59/08/10/386590810.db2.gz KNYQQQIUQJNVDL-UHFFFAOYSA-N 1 2 219.288 1.916 20 0 BDADLO C[C@@H](CC[N@H+](CC[NH3+])CCO)c1ccccc1 ZINC000414917228 386532219 /nfs/dbraw/zinc/53/22/19/386532219.db2.gz VGVHJDWDCPYGCQ-ZDUSSCGKSA-N 1 2 236.359 1.433 20 0 BDADLO C[C@@H](CC[N@@H+](CC[NH3+])CCO)c1ccccc1 ZINC000414917228 386532224 /nfs/dbraw/zinc/53/22/24/386532224.db2.gz VGVHJDWDCPYGCQ-ZDUSSCGKSA-N 1 2 236.359 1.433 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+](C)CCCO)cs1 ZINC000267370022 386534550 /nfs/dbraw/zinc/53/45/50/386534550.db2.gz KCKOUHVHHGMMON-VIFPVBQESA-N 1 2 244.360 1.665 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+](C)CCCO)cs1 ZINC000267370022 386534554 /nfs/dbraw/zinc/53/45/54/386534554.db2.gz KCKOUHVHHGMMON-VIFPVBQESA-N 1 2 244.360 1.665 20 0 BDADLO CC(C)Cn1cc(C[NH2+]Cc2ncccn2)cn1 ZINC000519700468 386537420 /nfs/dbraw/zinc/53/74/20/386537420.db2.gz AWRKOFFCOQMURM-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC000291433781 386545320 /nfs/dbraw/zinc/54/53/20/386545320.db2.gz BLOURFVOTQPQID-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCn3cncc3C2)cn1 ZINC000291433781 386545327 /nfs/dbraw/zinc/54/53/27/386545327.db2.gz BLOURFVOTQPQID-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000061708343 386545480 /nfs/dbraw/zinc/54/54/80/386545480.db2.gz UGHQBDJAXWDQGS-SNVBAGLBSA-N 1 2 226.345 1.833 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000061708343 386545485 /nfs/dbraw/zinc/54/54/85/386545485.db2.gz UGHQBDJAXWDQGS-SNVBAGLBSA-N 1 2 226.345 1.833 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cccs2)C1 ZINC000291497591 386551133 /nfs/dbraw/zinc/55/11/33/386551133.db2.gz URJMHBZWLRDJNH-UHFFFAOYSA-N 1 2 210.302 1.068 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000335467201 386556122 /nfs/dbraw/zinc/55/61/22/386556122.db2.gz CGDRMFQUNAFDMP-NXEZZACHSA-N 1 2 209.268 1.890 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](F)C2)cn1 ZINC000335467201 386556126 /nfs/dbraw/zinc/55/61/26/386556126.db2.gz CGDRMFQUNAFDMP-NXEZZACHSA-N 1 2 209.268 1.890 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccncc2)[nH]1 ZINC000267610943 386559157 /nfs/dbraw/zinc/55/91/57/386559157.db2.gz OVOTVRDXUSUUHV-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccncc2)[nH]1 ZINC000267610943 386559161 /nfs/dbraw/zinc/55/91/61/386559161.db2.gz OVOTVRDXUSUUHV-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)n[nH]1 ZINC000335408811 386568717 /nfs/dbraw/zinc/56/87/17/386568717.db2.gz QIWCNDGGIQLJKC-LLVKDONJSA-N 1 2 239.344 1.118 20 0 BDADLO c1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)n[nH]1 ZINC000335408811 386568723 /nfs/dbraw/zinc/56/87/23/386568723.db2.gz QIWCNDGGIQLJKC-LLVKDONJSA-N 1 2 239.344 1.118 20 0 BDADLO CC(C)n1cnc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000336985489 386570733 /nfs/dbraw/zinc/57/07/33/386570733.db2.gz HCYIUHUQLFJCKT-UHFFFAOYSA-N 1 2 247.302 1.459 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2ccn(C)n2)o1 ZINC000291718323 386572962 /nfs/dbraw/zinc/57/29/62/386572962.db2.gz MGELPLGINHJQBV-UHFFFAOYSA-N 1 2 248.330 1.959 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCO1)C2 ZINC000644933865 386624703 /nfs/dbraw/zinc/62/47/03/386624703.db2.gz WDOIXKVZYQUFJQ-NSHDSACASA-N 1 2 204.273 1.576 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@@H]1CCCO1)C2 ZINC000644933865 386624708 /nfs/dbraw/zinc/62/47/08/386624708.db2.gz WDOIXKVZYQUFJQ-NSHDSACASA-N 1 2 204.273 1.576 20 0 BDADLO CO[C@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000644931266 386629413 /nfs/dbraw/zinc/62/94/13/386629413.db2.gz KHGMYVNSPJGOFY-NXEZZACHSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000644931266 386629416 /nfs/dbraw/zinc/62/94/16/386629416.db2.gz KHGMYVNSPJGOFY-NXEZZACHSA-N 1 2 235.274 1.113 20 0 BDADLO COC[C@@H](Nc1cc[nH+]c(C)n1)[C@H]1CCCO1 ZINC000279114968 386633619 /nfs/dbraw/zinc/63/36/19/386633619.db2.gz PNWWVYGVNUQCSF-GHMZBOCLSA-N 1 2 237.303 1.391 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000329230309 386636643 /nfs/dbraw/zinc/63/66/43/386636643.db2.gz JYDZCGDMKWWFDH-SNVBAGLBSA-N 1 2 231.303 1.310 20 0 BDADLO Cc1cnc(NC(=O)CCc2[nH]cc[nH+]2)s1 ZINC000279121892 386637757 /nfs/dbraw/zinc/63/77/57/386637757.db2.gz CXOCKLPTMOXLCF-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO CC(C)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292256893 386640010 /nfs/dbraw/zinc/64/00/10/386640010.db2.gz FYYSJZWLHHTSPU-UHFFFAOYSA-N 1 2 236.319 1.454 20 0 BDADLO Cc1nc(NCCO)c(Br)c(C)[nH+]1 ZINC000307414894 386644576 /nfs/dbraw/zinc/64/45/76/386644576.db2.gz KJYBCCPXBJTPGC-UHFFFAOYSA-N 1 2 246.108 1.260 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000268341971 386645164 /nfs/dbraw/zinc/64/51/64/386645164.db2.gz PJHXKKWKIWWMPE-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccccc2)[nH]1 ZINC000268341971 386645169 /nfs/dbraw/zinc/64/51/69/386645169.db2.gz PJHXKKWKIWWMPE-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CC[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000268356711 386645636 /nfs/dbraw/zinc/64/56/36/386645636.db2.gz JPNGRPXUSXPGQJ-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)C(=O)OC ZINC000336647130 386645971 /nfs/dbraw/zinc/64/59/71/386645971.db2.gz FHCJGFZRNIAHMG-CMPLNLGQSA-N 1 2 229.320 1.343 20 0 BDADLO CCc1cnc(C[N@@H+](CC)[C@@H]2CCOC2)o1 ZINC000520301411 386646318 /nfs/dbraw/zinc/64/63/18/386646318.db2.gz HIOYTHAGMBNRHM-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+](CC)[C@@H]2CCOC2)o1 ZINC000520301411 386646326 /nfs/dbraw/zinc/64/63/26/386646326.db2.gz HIOYTHAGMBNRHM-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO CC(C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268386375 386648929 /nfs/dbraw/zinc/64/89/29/386648929.db2.gz OVEMHBIFUFBBAF-NWDGAFQWSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1ccn(CC(=O)Nc2c(C)cc[nH+]c2C)n1 ZINC000335513847 386650124 /nfs/dbraw/zinc/65/01/24/386650124.db2.gz JXPLLBLTSMSGLB-UHFFFAOYSA-N 1 2 244.298 1.842 20 0 BDADLO CCC1(C)CN(c2[nH+]cnc3c2cnn3C)C1 ZINC000292329595 386650237 /nfs/dbraw/zinc/65/02/37/386650237.db2.gz MYLQOAXNPIWSOU-UHFFFAOYSA-N 1 2 231.303 1.600 20 0 BDADLO Cc1ccc(NC(=O)CCn2cncn2)c(C)[nH+]1 ZINC000267969341 386604502 /nfs/dbraw/zinc/60/45/02/386604502.db2.gz BLRLBXYOBWKLTG-UHFFFAOYSA-N 1 2 245.286 1.319 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000291967238 386606284 /nfs/dbraw/zinc/60/62/84/386606284.db2.gz VIQITEWOTZROON-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000291967238 386606292 /nfs/dbraw/zinc/60/62/92/386606292.db2.gz VIQITEWOTZROON-SNVBAGLBSA-N 1 2 233.275 1.022 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)nn1 ZINC000328672369 386607513 /nfs/dbraw/zinc/60/75/13/386607513.db2.gz OEKFOEXCCOOABV-LBPRGKRZSA-N 1 2 246.318 1.265 20 0 BDADLO Cn1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)nn1 ZINC000328672369 386607521 /nfs/dbraw/zinc/60/75/21/386607521.db2.gz OEKFOEXCCOOABV-LBPRGKRZSA-N 1 2 246.318 1.265 20 0 BDADLO O=C(NC[C@H]1CC12CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000335490977 386609582 /nfs/dbraw/zinc/60/95/82/386609582.db2.gz HTSOKVKDDRTFPX-WDEREUQCSA-N 1 2 245.326 1.362 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=C1CCC1 ZINC000268024956 386610827 /nfs/dbraw/zinc/61/08/27/386610827.db2.gz IFBWKLVZIMUXDP-UHFFFAOYSA-N 1 2 205.261 1.445 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](F)C1 ZINC000335493891 386613929 /nfs/dbraw/zinc/61/39/29/386613929.db2.gz ZJJQAVMJBWGOBR-ZJUUUORDSA-N 1 2 237.278 1.016 20 0 BDADLO O=C([C@H]1CCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329138849 386614102 /nfs/dbraw/zinc/61/41/02/386614102.db2.gz INBZOVTVMXQWDE-NXEZZACHSA-N 1 2 235.287 1.252 20 0 BDADLO CC(C)(C)c1nccc(-n2cc[nH+]c2)n1 ZINC000301538420 386666532 /nfs/dbraw/zinc/66/65/32/386666532.db2.gz RLLLQSMJTABFIL-UHFFFAOYSA-N 1 2 202.261 1.960 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c[nH+]1 ZINC000268592027 386667467 /nfs/dbraw/zinc/66/74/67/386667467.db2.gz OTAPJOCFBKARAT-FOGDFJRCSA-N 1 2 249.314 1.406 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000279367823 386674041 /nfs/dbraw/zinc/67/40/41/386674041.db2.gz GRRLGENWOUASIO-SECBINFHSA-N 1 2 223.320 1.765 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCS[C@H](C)C1 ZINC000279432597 386682536 /nfs/dbraw/zinc/68/25/36/386682536.db2.gz MMVJBANHFJXISZ-MRVPVSSYSA-N 1 2 239.344 1.225 20 0 BDADLO C[C@@H](O)CN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000292451178 386675120 /nfs/dbraw/zinc/67/51/20/386675120.db2.gz WXLFTCYWCALGFL-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](O)CN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000292451178 386675124 /nfs/dbraw/zinc/67/51/24/386675124.db2.gz WXLFTCYWCALGFL-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO Cn1c[nH+]cc1CN1CCCc2n[nH]cc21 ZINC000279620399 386708950 /nfs/dbraw/zinc/70/89/50/386708950.db2.gz SDCGFWKEYBUSRC-UHFFFAOYSA-N 1 2 217.276 1.096 20 0 BDADLO CC(=O)N1CCC[N@H+](Cc2coc(C)n2)CC1 ZINC000647955363 386683125 /nfs/dbraw/zinc/68/31/25/386683125.db2.gz SGOOSQHLCXMUQM-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CC(=O)N1CCC[N@@H+](Cc2coc(C)n2)CC1 ZINC000647955363 386683130 /nfs/dbraw/zinc/68/31/30/386683130.db2.gz SGOOSQHLCXMUQM-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO C[N@@H+](Cc1nccc(N)n1)C[C@@H]1CCCCO1 ZINC000268681533 386683095 /nfs/dbraw/zinc/68/30/95/386683095.db2.gz PJANXKBKIXDQPM-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO C[N@H+](Cc1nccc(N)n1)C[C@@H]1CCCCO1 ZINC000268681533 386683102 /nfs/dbraw/zinc/68/31/02/386683102.db2.gz PJANXKBKIXDQPM-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO Cc1noc(C)c1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000124720493 386684511 /nfs/dbraw/zinc/68/45/11/386684511.db2.gz QULFOOHCNAETSP-MRVPVSSYSA-N 1 2 220.276 1.865 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1(C2CC2)CC1 ZINC000279481775 386686862 /nfs/dbraw/zinc/68/68/62/386686862.db2.gz OGFYCPYPNPDPIE-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO COCC[NH+](CCOC)Cc1coc(C)n1 ZINC000647956006 386690024 /nfs/dbraw/zinc/69/00/24/386690024.db2.gz SVTOKDZXPDFOGA-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@]2(C)CO)n1 ZINC000520561036 386693454 /nfs/dbraw/zinc/69/34/54/386693454.db2.gz LGANTGLQUHWYQB-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@]2(C)CO)n1 ZINC000520561036 386693465 /nfs/dbraw/zinc/69/34/65/386693465.db2.gz LGANTGLQUHWYQB-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@H]([NH2+][C@H]1CSC1(C)C)C(=O)OC ZINC000336648398 386694201 /nfs/dbraw/zinc/69/42/01/386694201.db2.gz GIOMTIFCMRWFRL-YUMQZZPRSA-N 1 2 217.334 1.422 20 0 BDADLO CC[C@@H](F)C[NH2+][C@H](C)c1ncn(C)n1 ZINC000336648932 386697146 /nfs/dbraw/zinc/69/71/46/386697146.db2.gz GZTKEUCYYZWYRL-HTQZYQBOSA-N 1 2 200.261 1.214 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000279565135 386702168 /nfs/dbraw/zinc/70/21/68/386702168.db2.gz YWFNPBHADHOXGT-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO c1ncc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)[nH]1 ZINC000247243253 386705056 /nfs/dbraw/zinc/70/50/56/386705056.db2.gz WWZWXCTVDRPSEA-MNOVXSKESA-N 1 2 239.344 1.116 20 0 BDADLO c1ncc(C[N@H+]2CCS[C@H]3COCC[C@H]32)[nH]1 ZINC000247243253 386705062 /nfs/dbraw/zinc/70/50/62/386705062.db2.gz WWZWXCTVDRPSEA-MNOVXSKESA-N 1 2 239.344 1.116 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000526970452 386715474 /nfs/dbraw/zinc/71/54/74/386715474.db2.gz PVYAINHEISJTCO-VIFPVBQESA-N 1 2 224.283 1.454 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1CC1(F)CC1 ZINC000526970452 386715480 /nfs/dbraw/zinc/71/54/80/386715480.db2.gz PVYAINHEISJTCO-VIFPVBQESA-N 1 2 224.283 1.454 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](CC3(F)CC3)C2)n[nH]1 ZINC000526984606 386717774 /nfs/dbraw/zinc/71/77/74/386717774.db2.gz SZQDSRYKRCRZKX-SNVBAGLBSA-N 1 2 238.310 1.795 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](CC3(F)CC3)C2)n[nH]1 ZINC000526984606 386717782 /nfs/dbraw/zinc/71/77/82/386717782.db2.gz SZQDSRYKRCRZKX-SNVBAGLBSA-N 1 2 238.310 1.795 20 0 BDADLO COC1CC[NH+](Cc2nn(C)cc2Cl)CC1 ZINC000335541562 386723090 /nfs/dbraw/zinc/72/30/90/386723090.db2.gz YJEPPLPFVZSKOJ-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000279727695 386726596 /nfs/dbraw/zinc/72/65/96/386726596.db2.gz CHBGYUMCPXHARZ-SCZZXKLOSA-N 1 2 249.314 1.340 20 0 BDADLO COC(=O)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348529848 386751481 /nfs/dbraw/zinc/75/14/81/386751481.db2.gz FWIXEBWSJHNXRR-RULNRJAQSA-N 1 2 249.310 1.702 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H]2CC2(C)C)n1 ZINC000334153632 386753303 /nfs/dbraw/zinc/75/33/03/386753303.db2.gz OYYHSOYXUNIFOR-SECBINFHSA-N 1 2 232.287 1.907 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)C(=O)NCc1ccco1 ZINC000192311461 386760385 /nfs/dbraw/zinc/76/03/85/386760385.db2.gz IVEWJWJGSOIJHV-VIFPVBQESA-N 1 2 249.270 1.062 20 0 BDADLO CC[C@H](F)C[NH2+][C@@H](C)c1nncn1C ZINC000336664312 386761009 /nfs/dbraw/zinc/76/10/09/386761009.db2.gz UQXUDSQIFIMJJE-YUMQZZPRSA-N 1 2 200.261 1.214 20 0 BDADLO C[C@@H]1[N@H+](CC(=O)NCC2CC2)CCOC1(C)C ZINC000357325940 386761749 /nfs/dbraw/zinc/76/17/49/386761749.db2.gz DWHZKMRUUCLQMF-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1[N@@H+](CC(=O)NCC2CC2)CCOC1(C)C ZINC000357325940 386761753 /nfs/dbraw/zinc/76/17/53/386761753.db2.gz DWHZKMRUUCLQMF-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO COC[C@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000340862403 386790012 /nfs/dbraw/zinc/79/00/12/386790012.db2.gz INOFWBKKXUWEQS-SECBINFHSA-N 1 2 222.288 1.423 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000340862404 386790584 /nfs/dbraw/zinc/79/05/84/386790584.db2.gz INOFWBKKXUWEQS-VIFPVBQESA-N 1 2 222.288 1.423 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cnccc1C ZINC000269399071 386790697 /nfs/dbraw/zinc/79/06/97/386790697.db2.gz FTHSXTFIQMKMJT-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cnccc1C ZINC000269399071 386790706 /nfs/dbraw/zinc/79/07/06/386790706.db2.gz FTHSXTFIQMKMJT-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCSCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330562504 386772189 /nfs/dbraw/zinc/77/21/89/386772189.db2.gz ZQUQKFMNNDMZDC-BDAKNGLRSA-N 1 2 232.349 1.364 20 0 BDADLO CCSCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000330562504 386772197 /nfs/dbraw/zinc/77/21/97/386772197.db2.gz ZQUQKFMNNDMZDC-BDAKNGLRSA-N 1 2 232.349 1.364 20 0 BDADLO COCCCC[N@H+](C)Cc1ncnn1C(C)C ZINC000639273614 386776366 /nfs/dbraw/zinc/77/63/66/386776366.db2.gz SXCMTZVCILNONK-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO COCCCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000639273614 386776370 /nfs/dbraw/zinc/77/63/70/386776370.db2.gz SXCMTZVCILNONK-UHFFFAOYSA-N 1 2 240.351 1.717 20 0 BDADLO CC(=O)C1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000293106682 386776697 /nfs/dbraw/zinc/77/66/97/386776697.db2.gz HOELWABHIKJDOO-SNVBAGLBSA-N 1 2 249.314 1.005 20 0 BDADLO COc1ccsc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000344820520 386778868 /nfs/dbraw/zinc/77/88/68/386778868.db2.gz CXOUWULBHPKORY-IUCAKERBSA-N 1 2 245.319 1.661 20 0 BDADLO COc1ccsc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000344820520 386778873 /nfs/dbraw/zinc/77/88/73/386778873.db2.gz CXOUWULBHPKORY-IUCAKERBSA-N 1 2 245.319 1.661 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000639276991 386786881 /nfs/dbraw/zinc/78/68/81/386786881.db2.gz IPBBEDBFBKUXGM-DGCLKSJQSA-N 1 2 246.289 1.542 20 0 BDADLO Cc1c[nH+]c(CN[C@@H]2COc3ccccc32)n1C ZINC000341006814 386816381 /nfs/dbraw/zinc/81/63/81/386816381.db2.gz CYGORKNIWUJIID-GFCCVEGCSA-N 1 2 243.310 1.952 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2COc3ccccc32)n1C ZINC000341006814 386816386 /nfs/dbraw/zinc/81/63/86/386816386.db2.gz CYGORKNIWUJIID-GFCCVEGCSA-N 1 2 243.310 1.952 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc(C)c(C)s1 ZINC000293453797 386820414 /nfs/dbraw/zinc/82/04/14/386820414.db2.gz CTMQAHCTNRNTJV-SNVBAGLBSA-N 1 2 226.345 1.981 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc(C)c(C)s1 ZINC000293453797 386820422 /nfs/dbraw/zinc/82/04/22/386820422.db2.gz CTMQAHCTNRNTJV-SNVBAGLBSA-N 1 2 226.345 1.981 20 0 BDADLO CC(C)c1nc(N2C[C@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000357656772 386822122 /nfs/dbraw/zinc/82/21/22/386822122.db2.gz MPADGAQZDDHVFW-QWRGUYRKSA-N 1 2 235.331 1.665 20 0 BDADLO CC[C@@H](NC(=O)COC(C)C)c1[nH]cc[nH+]1 ZINC000125346887 386799138 /nfs/dbraw/zinc/79/91/38/386799138.db2.gz KGQRJCVODRONBK-SECBINFHSA-N 1 2 225.292 1.402 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ncn1 ZINC000293305185 386801432 /nfs/dbraw/zinc/80/14/32/386801432.db2.gz VFMAQWLVSWKBSJ-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1cc(C[N@H+]2CCCC3(C2)OCCO3)ncn1 ZINC000293305185 386801435 /nfs/dbraw/zinc/80/14/35/386801435.db2.gz VFMAQWLVSWKBSJ-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000340959551 386808870 /nfs/dbraw/zinc/80/88/70/386808870.db2.gz QPDMZQACAWCFSK-VXGBXAGGSA-N 1 2 242.363 1.212 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCC1CCC1 ZINC000280456941 386814855 /nfs/dbraw/zinc/81/48/55/386814855.db2.gz ZKHPTXCAPYVHQK-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCC1CCC1 ZINC000280456941 386814857 /nfs/dbraw/zinc/81/48/57/386814857.db2.gz ZKHPTXCAPYVHQK-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn2cc(C)ccc2n1 ZINC000293429545 386815537 /nfs/dbraw/zinc/81/55/37/386815537.db2.gz AZRRPYZEFFUKNJ-CYBMUJFWSA-N 1 2 245.326 1.863 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn2cc(C)ccc2n1 ZINC000293429545 386815539 /nfs/dbraw/zinc/81/55/39/386815539.db2.gz AZRRPYZEFFUKNJ-CYBMUJFWSA-N 1 2 245.326 1.863 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccn(C)c1 ZINC000456343483 386825974 /nfs/dbraw/zinc/82/59/74/386825974.db2.gz FJCIJWQBKGCHPY-SNVBAGLBSA-N 1 2 246.314 1.733 20 0 BDADLO Cc1cc(N(C)Cc2cnccn2)nc[nH+]1 ZINC000301261151 386827811 /nfs/dbraw/zinc/82/78/11/386827811.db2.gz CZLSAYLTZGWKAE-UHFFFAOYSA-N 1 2 215.260 1.211 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1C ZINC000093441126 386830909 /nfs/dbraw/zinc/83/09/09/386830909.db2.gz NXDLTRCETVTUHP-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1C ZINC000093441126 386830914 /nfs/dbraw/zinc/83/09/14/386830914.db2.gz NXDLTRCETVTUHP-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cc(N[C@@H](C(N)=O)c2ccccc2)nc[nH+]1 ZINC000301285080 386831172 /nfs/dbraw/zinc/83/11/72/386831172.db2.gz ZAFOMGJXJCAZFW-GFCCVEGCSA-N 1 2 242.282 1.424 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCOCC1 ZINC000330129896 386831801 /nfs/dbraw/zinc/83/18/01/386831801.db2.gz KECZYRATRPNEDX-LBPRGKRZSA-N 1 2 248.326 1.821 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CC(F)(F)C1 ZINC000293553645 386835516 /nfs/dbraw/zinc/83/55/16/386835516.db2.gz CJBZQGKBVZZPKM-OWOJBTEDSA-N 1 2 241.241 1.584 20 0 BDADLO Cc1cc(N[C@@H]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000301347265 386837414 /nfs/dbraw/zinc/83/74/14/386837414.db2.gz HLYDKMBZSXKMNL-VHSXEESVSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000357779404 386842077 /nfs/dbraw/zinc/84/20/77/386842077.db2.gz RFOFZFVOSRZZRF-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)c2ccccn2)n1C ZINC000341122217 386842212 /nfs/dbraw/zinc/84/22/12/386842212.db2.gz KBLXVZFUEUHUGQ-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2ccccn2)n1C ZINC000341122217 386842218 /nfs/dbraw/zinc/84/22/18/386842218.db2.gz KBLXVZFUEUHUGQ-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCC1)C2 ZINC000335709860 386843325 /nfs/dbraw/zinc/84/33/25/386843325.db2.gz XAXJDETZHWQZGV-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCC1)C2 ZINC000335709860 386843331 /nfs/dbraw/zinc/84/33/31/386843331.db2.gz XAXJDETZHWQZGV-UHFFFAOYSA-N 1 2 230.311 1.543 20 0 BDADLO C[C@H]1OCC[N@H+](CCn2cc(Cl)cn2)[C@H]1C ZINC000334785784 386844788 /nfs/dbraw/zinc/84/47/88/386844788.db2.gz AMWJJJPURRDSTE-VHSXEESVSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@H]1OCC[N@@H+](CCn2cc(Cl)cn2)[C@H]1C ZINC000334785784 386844791 /nfs/dbraw/zinc/84/47/91/386844791.db2.gz AMWJJJPURRDSTE-VHSXEESVSA-N 1 2 243.738 1.646 20 0 BDADLO CC(C)c1nc(N2CC[C@@](C)(O)C2)cc[nH+]1 ZINC000301476629 386848169 /nfs/dbraw/zinc/84/81/69/386848169.db2.gz BGYCRSDXOOZPSG-GFCCVEGCSA-N 1 2 221.304 1.561 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334788479 386850654 /nfs/dbraw/zinc/85/06/54/386850654.db2.gz XYNUJPJZEODZQA-UWVGGRQHSA-N 1 2 236.340 1.398 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334788479 386850660 /nfs/dbraw/zinc/85/06/60/386850660.db2.gz XYNUJPJZEODZQA-UWVGGRQHSA-N 1 2 236.340 1.398 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccccn2)n(C)n1 ZINC000418005891 386858466 /nfs/dbraw/zinc/85/84/66/386858466.db2.gz OWYGHVOOKSUXGX-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccccn2)n(C)n1 ZINC000418005891 386858472 /nfs/dbraw/zinc/85/84/72/386858472.db2.gz OWYGHVOOKSUXGX-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000301656022 386863887 /nfs/dbraw/zinc/86/38/87/386863887.db2.gz UZRFXCPEOVTPDZ-GFCCVEGCSA-N 1 2 242.282 1.529 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)n1C ZINC000341295486 386866323 /nfs/dbraw/zinc/86/63/23/386866323.db2.gz XTXCJPBUGWAULB-LLVKDONJSA-N 1 2 245.330 1.099 20 0 BDADLO CC[C@H](OC)c1nc(Cc2c[nH+]cn2C)no1 ZINC000357953007 386872490 /nfs/dbraw/zinc/87/24/90/386872490.db2.gz SHRGWMJWGGCVAN-VIFPVBQESA-N 1 2 236.275 1.491 20 0 BDADLO Cc1noc(C(C)(C)NCc2[nH+]cc(C)n2C)n1 ZINC000341275161 386875354 /nfs/dbraw/zinc/87/53/54/386875354.db2.gz QXUPKVBKDMNKTG-UHFFFAOYSA-N 1 2 249.318 1.445 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)C2)nn1 ZINC000334837896 386880399 /nfs/dbraw/zinc/88/03/99/386880399.db2.gz YMDXSGNLNLVBMT-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@](C)(F)C2)nn1 ZINC000334837896 386880403 /nfs/dbraw/zinc/88/04/03/386880403.db2.gz YMDXSGNLNLVBMT-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)n(C)n1 ZINC000418009768 386885294 /nfs/dbraw/zinc/88/52/94/386885294.db2.gz FTQJOOWZROOABR-SDDRHHMPSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)n(C)n1 ZINC000418009768 386885297 /nfs/dbraw/zinc/88/52/97/386885297.db2.gz FTQJOOWZROOABR-SDDRHHMPSA-N 1 2 237.347 1.726 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@](C)(CO)C(C)C)no1 ZINC000352887322 386888542 /nfs/dbraw/zinc/88/85/42/386888542.db2.gz XGZIJDYVNVRYGZ-LBPRGKRZSA-N 1 2 241.335 1.690 20 0 BDADLO C[C@@H](CO)[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301905848 386889099 /nfs/dbraw/zinc/88/90/99/386889099.db2.gz QHKJROUWCVHRSO-IUCAKERBSA-N 1 2 246.314 1.641 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@H]1C1CCCCC1 ZINC000334860785 386914028 /nfs/dbraw/zinc/91/40/28/386914028.db2.gz GAWIPBTZYFXUMI-LBPRGKRZSA-N 1 2 210.321 1.735 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@H]1C1CCCCC1 ZINC000334860785 386914032 /nfs/dbraw/zinc/91/40/32/386914032.db2.gz GAWIPBTZYFXUMI-LBPRGKRZSA-N 1 2 210.321 1.735 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnoc1C ZINC000335770248 386916193 /nfs/dbraw/zinc/91/61/93/386916193.db2.gz KERUZLICHQMGKS-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnoc1C ZINC000335770248 386916200 /nfs/dbraw/zinc/91/62/00/386916200.db2.gz KERUZLICHQMGKS-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334862400 386917080 /nfs/dbraw/zinc/91/70/80/386917080.db2.gz LHGJBNFLLNOPBW-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334862400 386917082 /nfs/dbraw/zinc/91/70/82/386917082.db2.gz LHGJBNFLLNOPBW-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO CC1(F)CC(NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000334847941 386895916 /nfs/dbraw/zinc/89/59/16/386895916.db2.gz YMKBYBIPPLKSCG-UHFFFAOYSA-N 1 2 247.273 1.955 20 0 BDADLO O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329138854 386896793 /nfs/dbraw/zinc/89/67/93/386896793.db2.gz INBZOVTVMXQWDE-ZJUUUORDSA-N 1 2 235.287 1.252 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)o1 ZINC000335761740 386901022 /nfs/dbraw/zinc/90/10/22/386901022.db2.gz PGECWOMLWRQJPT-ZYHUDNBSSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)o1 ZINC000335761740 386901028 /nfs/dbraw/zinc/90/10/28/386901028.db2.gz PGECWOMLWRQJPT-ZYHUDNBSSA-N 1 2 236.315 1.982 20 0 BDADLO CC[C@H]1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)CCO1 ZINC000330783955 386902287 /nfs/dbraw/zinc/90/22/87/386902287.db2.gz REWPYVRRUXYDSX-ONGXEEELSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@H]1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)CCO1 ZINC000330783955 386902292 /nfs/dbraw/zinc/90/22/92/386902292.db2.gz REWPYVRRUXYDSX-ONGXEEELSA-N 1 2 237.303 1.231 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c[nH]1 ZINC000335762950 386902789 /nfs/dbraw/zinc/90/27/89/386902789.db2.gz OHGIAQDUCAPUFN-MRVPVSSYSA-N 1 2 248.261 1.164 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c[nH]1 ZINC000335762950 386902792 /nfs/dbraw/zinc/90/27/92/386902792.db2.gz OHGIAQDUCAPUFN-MRVPVSSYSA-N 1 2 248.261 1.164 20 0 BDADLO C[C@H](CF)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334851775 386902846 /nfs/dbraw/zinc/90/28/46/386902846.db2.gz JOUHAZAXBWNGCJ-HTQZYQBOSA-N 1 2 225.267 1.304 20 0 BDADLO C[C@H](CF)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334851775 386902848 /nfs/dbraw/zinc/90/28/48/386902848.db2.gz JOUHAZAXBWNGCJ-HTQZYQBOSA-N 1 2 225.267 1.304 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C2CCC2)o1 ZINC000331787216 386904056 /nfs/dbraw/zinc/90/40/56/386904056.db2.gz OYSCYYKTQCUBLD-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C2CCC2)o1 ZINC000331787216 386904063 /nfs/dbraw/zinc/90/40/63/386904063.db2.gz OYSCYYKTQCUBLD-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccnc1 ZINC000331801027 386909150 /nfs/dbraw/zinc/90/91/50/386909150.db2.gz JMEALVUUTRRYLF-PWSUYJOCSA-N 1 2 243.314 1.859 20 0 BDADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccn1 ZINC000358196461 386911684 /nfs/dbraw/zinc/91/16/84/386911684.db2.gz VXDNLIJKXUWSQO-SECBINFHSA-N 1 2 244.302 1.254 20 0 BDADLO CCC1(O)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302424838 386922818 /nfs/dbraw/zinc/92/28/18/386922818.db2.gz JULAFGPMLKEOOG-UHFFFAOYSA-N 1 2 219.288 1.315 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)s1)[C@H]1CCOC1 ZINC000528383901 386929725 /nfs/dbraw/zinc/92/97/25/386929725.db2.gz XDIVWCBSZWLXJF-VIFPVBQESA-N 1 2 239.344 1.636 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)s1)[C@H]1CCOC1 ZINC000528383901 386929728 /nfs/dbraw/zinc/92/97/28/386929728.db2.gz XDIVWCBSZWLXJF-VIFPVBQESA-N 1 2 239.344 1.636 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334870978 386930031 /nfs/dbraw/zinc/93/00/31/386930031.db2.gz VXBIMFAHJURHJN-JSGCOSHPSA-N 1 2 248.374 1.682 20 0 BDADLO CO[C@@H]1CCC[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000341603388 386932123 /nfs/dbraw/zinc/93/21/23/386932123.db2.gz AEUQOINTTMXRRX-GXSJLCMTSA-N 1 2 237.303 1.263 20 0 BDADLO CCc1noc(C)c1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000334872518 386933098 /nfs/dbraw/zinc/93/30/98/386933098.db2.gz PVTIKYDEAGRARA-JTQLQIEISA-N 1 2 237.303 1.578 20 0 BDADLO CCc1noc(C)c1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000334872518 386933102 /nfs/dbraw/zinc/93/31/02/386933102.db2.gz PVTIKYDEAGRARA-JTQLQIEISA-N 1 2 237.303 1.578 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330923698 386934784 /nfs/dbraw/zinc/93/47/84/386934784.db2.gz DRHUZAZNMMSDTO-UWVGGRQHSA-N 1 2 237.303 1.026 20 0 BDADLO COCc1noc(C[N@@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC000368099321 386941400 /nfs/dbraw/zinc/94/14/00/386941400.db2.gz MQRFWZQBMDTZJK-NXEZZACHSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1noc(C[N@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC000368099321 386941407 /nfs/dbraw/zinc/94/14/07/386941407.db2.gz MQRFWZQBMDTZJK-NXEZZACHSA-N 1 2 237.303 1.590 20 0 BDADLO CC(=O)CCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341714823 386954608 /nfs/dbraw/zinc/95/46/08/386954608.db2.gz FKFVJCGXNMJACD-LBPRGKRZSA-N 1 2 249.314 1.357 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000334826293 386958596 /nfs/dbraw/zinc/95/85/96/386958596.db2.gz ANBHQMUKIXQRSX-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ncccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000334826293 386958603 /nfs/dbraw/zinc/95/86/03/386958603.db2.gz ANBHQMUKIXQRSX-GFCCVEGCSA-N 1 2 224.279 1.560 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2ncccc2C1 ZINC000368322025 386960375 /nfs/dbraw/zinc/96/03/75/386960375.db2.gz RKVHTXOHCAUVSA-JTQLQIEISA-N 1 2 245.326 1.107 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2ncccc2C1 ZINC000368322025 386960381 /nfs/dbraw/zinc/96/03/81/386960381.db2.gz RKVHTXOHCAUVSA-JTQLQIEISA-N 1 2 245.326 1.107 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000332120857 386961012 /nfs/dbraw/zinc/96/10/12/386961012.db2.gz HMOIPFMJUHOABP-ONGXEEELSA-N 1 2 242.319 1.038 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000332120857 386961017 /nfs/dbraw/zinc/96/10/17/386961017.db2.gz HMOIPFMJUHOABP-ONGXEEELSA-N 1 2 242.319 1.038 20 0 BDADLO CC(C)(CF)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334889611 386962358 /nfs/dbraw/zinc/96/23/58/386962358.db2.gz NNIUZJBJNKWZBP-SECBINFHSA-N 1 2 239.294 1.310 20 0 BDADLO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368341982 386963521 /nfs/dbraw/zinc/96/35/21/386963521.db2.gz QBWSPGZVYZPYPY-ZJUUUORDSA-N 1 2 227.304 1.191 20 0 BDADLO CC(C)(C)OC(=O)CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368341982 386963526 /nfs/dbraw/zinc/96/35/26/386963526.db2.gz QBWSPGZVYZPYPY-ZJUUUORDSA-N 1 2 227.304 1.191 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@H](C2CC2)C1 ZINC000334890124 386963605 /nfs/dbraw/zinc/96/36/05/386963605.db2.gz OTYNKIXZOWWTHU-NSHDSACASA-N 1 2 248.330 1.362 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC(F)(F)C1 ZINC000334890612 386964417 /nfs/dbraw/zinc/96/44/17/386964417.db2.gz NMRDVDRCBCZEMT-UHFFFAOYSA-N 1 2 241.241 1.685 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C)s1 ZINC000358495159 386966399 /nfs/dbraw/zinc/96/63/99/386966399.db2.gz HJMGLBRCDPXGMA-UHFFFAOYSA-N 1 2 215.322 1.051 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C)s1 ZINC000358495159 386966403 /nfs/dbraw/zinc/96/64/03/386966403.db2.gz HJMGLBRCDPXGMA-UHFFFAOYSA-N 1 2 215.322 1.051 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CC=C(C)CC2)n1 ZINC000331339521 387007869 /nfs/dbraw/zinc/00/78/69/387007869.db2.gz RWBZHXJHRQDJPT-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000331339521 387007873 /nfs/dbraw/zinc/00/78/73/387007873.db2.gz RWBZHXJHRQDJPT-UHFFFAOYSA-N 1 2 236.271 1.613 20 0 BDADLO Cc1nc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)no1 ZINC000331162626 386980601 /nfs/dbraw/zinc/98/06/01/386980601.db2.gz FTCMHIFAPMHROE-MWLCHTKSSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)no1 ZINC000331162626 386980605 /nfs/dbraw/zinc/98/06/05/386980605.db2.gz FTCMHIFAPMHROE-MWLCHTKSSA-N 1 2 239.319 1.361 20 0 BDADLO CC(C)(C(=O)NCCCCF)c1c[nH]c[nH+]1 ZINC000331171384 386980743 /nfs/dbraw/zinc/98/07/43/386980743.db2.gz ONGAEXVMROCSNG-UHFFFAOYSA-N 1 2 227.283 1.553 20 0 BDADLO COC(=O)[C@H](C)CNc1cc(C(C)C)[nH+]cn1 ZINC000352973619 386982721 /nfs/dbraw/zinc/98/27/21/386982721.db2.gz RWNGVGRVTIHFNF-SECBINFHSA-N 1 2 237.303 1.243 20 0 BDADLO FC(F)OC[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC000353009660 386987845 /nfs/dbraw/zinc/98/78/45/386987845.db2.gz RDBVMSOWEKOXLU-MRVPVSSYSA-N 1 2 232.230 1.736 20 0 BDADLO FC(F)OC[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC000353009660 386987849 /nfs/dbraw/zinc/98/78/49/386987849.db2.gz RDBVMSOWEKOXLU-MRVPVSSYSA-N 1 2 232.230 1.736 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](COC(F)F)C2)no1 ZINC000353017992 386989150 /nfs/dbraw/zinc/98/91/50/386989150.db2.gz DGEYPFZGVIKJSI-QMMMGPOBSA-N 1 2 247.245 1.439 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](COC(F)F)C2)no1 ZINC000353017992 386989155 /nfs/dbraw/zinc/98/91/55/386989155.db2.gz DGEYPFZGVIKJSI-QMMMGPOBSA-N 1 2 247.245 1.439 20 0 BDADLO Cc1c[nH]cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353011076 386990592 /nfs/dbraw/zinc/99/05/92/386990592.db2.gz LCLSQJYPUCBDDY-SNVBAGLBSA-N 1 2 246.314 1.586 20 0 BDADLO C[C@@H](O)CCSc1[nH+]cnc2c1cnn2C ZINC000331275602 386995031 /nfs/dbraw/zinc/99/50/31/386995031.db2.gz XHMZYFGMRKWEMK-SSDOTTSWSA-N 1 2 238.316 1.226 20 0 BDADLO Cc1nc(N[C@@H](C)C2CCCC2)nc(N)[nH+]1 ZINC000304476547 386995722 /nfs/dbraw/zinc/99/57/22/386995722.db2.gz NYWPMLZNBKXAAL-ZETCQYMHSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)C2CCCC2)[nH+]1 ZINC000304476547 386995726 /nfs/dbraw/zinc/99/57/26/386995726.db2.gz NYWPMLZNBKXAAL-ZETCQYMHSA-N 1 2 221.308 1.753 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCc2ncccc2C1 ZINC000368634321 386996041 /nfs/dbraw/zinc/99/60/41/386996041.db2.gz PRJABOUSKNMEFC-LBPRGKRZSA-N 1 2 234.299 1.391 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCc2ncccc2C1 ZINC000368634321 386996045 /nfs/dbraw/zinc/99/60/45/386996045.db2.gz PRJABOUSKNMEFC-LBPRGKRZSA-N 1 2 234.299 1.391 20 0 BDADLO COC[C@@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332640589 386996685 /nfs/dbraw/zinc/99/66/85/386996685.db2.gz KDWYEAKSORIFEM-PSASIEDQSA-N 1 2 225.292 1.407 20 0 BDADLO COC[C@@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000332640589 386996689 /nfs/dbraw/zinc/99/66/89/386996689.db2.gz KDWYEAKSORIFEM-PSASIEDQSA-N 1 2 225.292 1.407 20 0 BDADLO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332659875 386999467 /nfs/dbraw/zinc/99/94/67/386999467.db2.gz AZEAHICUPKMLTL-MRVPVSSYSA-N 1 2 224.308 1.521 20 0 BDADLO CC(C)(C)[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332659875 386999470 /nfs/dbraw/zinc/99/94/70/386999470.db2.gz AZEAHICUPKMLTL-MRVPVSSYSA-N 1 2 224.308 1.521 20 0 BDADLO CC[C@@H](NC(=O)[C@H](CO)C(C)C)c1[nH]cc[nH+]1 ZINC000331259883 387001206 /nfs/dbraw/zinc/00/12/06/387001206.db2.gz ATKDJOIYHDLZPN-NXEZZACHSA-N 1 2 239.319 1.242 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)o1 ZINC000332729496 387005522 /nfs/dbraw/zinc/00/55/22/387005522.db2.gz TZEJUKZNOPHLMN-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)o1 ZINC000332729496 387005525 /nfs/dbraw/zinc/00/55/25/387005525.db2.gz TZEJUKZNOPHLMN-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO COC(=O)[C@@H]1CN(c2cccc[nH+]2)CC12CCC2 ZINC000369333708 387038994 /nfs/dbraw/zinc/03/89/94/387038994.db2.gz FSSJSCOZLZVFAL-NSHDSACASA-N 1 2 246.310 1.861 20 0 BDADLO CC[C@@H](CO)[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000358983605 387039690 /nfs/dbraw/zinc/03/96/90/387039690.db2.gz KHOXVIFNOJJCOA-RYUDHWBXSA-N 1 2 246.314 1.255 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1nccn1C ZINC000070007856 387042734 /nfs/dbraw/zinc/04/27/34/387042734.db2.gz DUHMXMSVTZKTRC-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)C[C@@H](C2CC2)O1 ZINC000514658687 387049575 /nfs/dbraw/zinc/04/95/75/387049575.db2.gz DKJICKUEZBCMQK-MFKMUULPSA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)C[C@@H](C2CC2)O1 ZINC000514658687 387049582 /nfs/dbraw/zinc/04/95/82/387049582.db2.gz DKJICKUEZBCMQK-MFKMUULPSA-N 1 2 233.315 1.476 20 0 BDADLO Cc1cc(N)nc(SCc2cc[nH+]c(N)c2)n1 ZINC000193074472 387050046 /nfs/dbraw/zinc/05/00/46/387050046.db2.gz JESUJSFNCQEORD-UHFFFAOYSA-N 1 2 247.327 1.637 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333711935 387051806 /nfs/dbraw/zinc/05/18/06/387051806.db2.gz GNPNYQCMXFOQFZ-HBNTYKKESA-N 1 2 244.294 1.366 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccc(Cl)o2)[nH]1 ZINC000392362838 387056652 /nfs/dbraw/zinc/05/66/52/387056652.db2.gz ZGSGWBBVRFMMAJ-UHFFFAOYSA-N 1 2 240.694 1.903 20 0 BDADLO Cc1nc(N(C)C)nc(NC(C2CC2)C2CC2)[nH+]1 ZINC000359152128 387060763 /nfs/dbraw/zinc/06/07/63/387060763.db2.gz WRVVEZXNOQVXDJ-UHFFFAOYSA-N 1 2 247.346 1.268 20 0 BDADLO Cc1nc(NC(C2CC2)C2CC2)nc(N(C)C)[nH+]1 ZINC000359152128 387060767 /nfs/dbraw/zinc/06/07/67/387060767.db2.gz WRVVEZXNOQVXDJ-UHFFFAOYSA-N 1 2 247.346 1.268 20 0 BDADLO C[NH+](C)CC(=O)Nc1ccc2c(c1)C(=O)CCO2 ZINC000369681592 387061068 /nfs/dbraw/zinc/06/10/68/387061068.db2.gz NZLNVPNUZCPQSK-UHFFFAOYSA-N 1 2 248.282 1.152 20 0 BDADLO Cc1cc(C)n([C@@H](C)C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000331298404 387010443 /nfs/dbraw/zinc/01/04/43/387010443.db2.gz UYBHRNWPWIJWAH-JTQLQIEISA-N 1 2 247.302 1.100 20 0 BDADLO Cc1cc(C)n([C@@H](C)C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000331298404 387010447 /nfs/dbraw/zinc/01/04/47/387010447.db2.gz UYBHRNWPWIJWAH-JTQLQIEISA-N 1 2 247.302 1.100 20 0 BDADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cn[nH]c1 ZINC000358791044 387014347 /nfs/dbraw/zinc/01/43/47/387014347.db2.gz LCPZOFHDKCXISK-JOYOIKCWSA-N 1 2 244.298 1.287 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](O)C23CCCC3)no1 ZINC000333055411 387014899 /nfs/dbraw/zinc/01/48/99/387014899.db2.gz RFTAOTFVBZQYKS-SNVBAGLBSA-N 1 2 237.303 1.257 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](O)C23CCCC3)no1 ZINC000333055411 387014902 /nfs/dbraw/zinc/01/49/02/387014902.db2.gz RFTAOTFVBZQYKS-SNVBAGLBSA-N 1 2 237.303 1.257 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nnc(C)s2)C[C@H]1O ZINC000358826277 387017936 /nfs/dbraw/zinc/01/79/36/387017936.db2.gz HNYAVEQRSGZRFF-DTWKUNHWSA-N 1 2 227.333 1.049 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nnc(C)s2)C[C@H]1O ZINC000358826277 387017939 /nfs/dbraw/zinc/01/79/39/387017939.db2.gz HNYAVEQRSGZRFF-DTWKUNHWSA-N 1 2 227.333 1.049 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000353292029 387017970 /nfs/dbraw/zinc/01/79/70/387017970.db2.gz XUQJAHWFZVZRML-UHFFFAOYSA-N 1 2 218.260 1.230 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000353292029 387017972 /nfs/dbraw/zinc/01/79/72/387017972.db2.gz XUQJAHWFZVZRML-UHFFFAOYSA-N 1 2 218.260 1.230 20 0 BDADLO C[C@@]1(NC(=O)CCc2[nH]cc[nH+]2)CC=CCC1 ZINC000331357588 387018150 /nfs/dbraw/zinc/01/81/50/387018150.db2.gz UDPVPZUAQOFZLU-CYBMUJFWSA-N 1 2 233.315 1.957 20 0 BDADLO O=C(c1ccon1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333108421 387018595 /nfs/dbraw/zinc/01/85/95/387018595.db2.gz DYBFVNZWHIZUFK-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO O=C(c1ccon1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333108421 387018600 /nfs/dbraw/zinc/01/86/00/387018600.db2.gz DYBFVNZWHIZUFK-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO Cc1[nH]c(C(=O)NC2C[C@@H](C)O[C@H](C)C2)c[nH+]1 ZINC000334943345 387019988 /nfs/dbraw/zinc/01/99/88/387019988.db2.gz NMHMAWGPSLVGAK-HTQZYQBOSA-N 1 2 237.303 1.404 20 0 BDADLO CC(C)=CC[NH+]1CC(n2cc([C@H](C)O)nn2)C1 ZINC000369006509 387024943 /nfs/dbraw/zinc/02/49/43/387024943.db2.gz AVMORFUSDNDJEE-JTQLQIEISA-N 1 2 236.319 1.154 20 0 BDADLO C[NH2+]Cc1noc([C@@]2(C)CCC[C@@H]2C)n1 ZINC000334881803 387025194 /nfs/dbraw/zinc/02/51/94/387025194.db2.gz LTDXSIWBXMYECD-KWQFWETISA-N 1 2 209.293 1.867 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1CC(C)(F)C1 ZINC000334982768 387070186 /nfs/dbraw/zinc/07/01/86/387070186.db2.gz YKNNFRVIDIICCX-UHFFFAOYSA-N 1 2 237.278 1.824 20 0 BDADLO CCC[C@@](C)(O)CNc1cc[nH+]c(C(C)C)n1 ZINC000352313840 387074470 /nfs/dbraw/zinc/07/44/70/387074470.db2.gz GZLUGDXKILWANQ-CYBMUJFWSA-N 1 2 237.347 1.985 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000370062524 387087611 /nfs/dbraw/zinc/08/76/11/387087611.db2.gz KTFYLRRMRFZBQA-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259809 387090213 /nfs/dbraw/zinc/09/02/13/387090213.db2.gz USXYJZMQNADNRQ-MNOVXSKESA-N 1 2 242.338 1.868 20 0 BDADLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](F)C1 ZINC000336259809 387090220 /nfs/dbraw/zinc/09/02/20/387090220.db2.gz USXYJZMQNADNRQ-MNOVXSKESA-N 1 2 242.338 1.868 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCCCC1 ZINC000336259438 387091015 /nfs/dbraw/zinc/09/10/15/387091015.db2.gz ASNRILHNAASCRR-JTQLQIEISA-N 1 2 214.284 1.043 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCCCC1 ZINC000336259438 387091020 /nfs/dbraw/zinc/09/10/20/387091020.db2.gz ASNRILHNAASCRR-JTQLQIEISA-N 1 2 214.284 1.043 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccncc2)CCN1C ZINC000336264888 387100194 /nfs/dbraw/zinc/10/01/94/387100194.db2.gz HQQUXDQDSIPLTN-NEPJUHHUSA-N 1 2 219.332 1.606 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1C ZINC000352357886 387111482 /nfs/dbraw/zinc/11/14/82/387111482.db2.gz QHXRRAZQEAXFPK-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1C ZINC000352357886 387111484 /nfs/dbraw/zinc/11/14/84/387111484.db2.gz QHXRRAZQEAXFPK-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)CC2(F)F)cc[nH+]1 ZINC000335023972 387114543 /nfs/dbraw/zinc/11/45/43/387114543.db2.gz ZMCVYMGZHAVVGG-JTQLQIEISA-N 1 2 226.226 1.796 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@H]2C2CC2)[nH]1 ZINC000336291775 387124215 /nfs/dbraw/zinc/12/42/15/387124215.db2.gz PJTFDECTFDSULE-JTQLQIEISA-N 1 2 238.360 1.441 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@H]2C2CC2)[nH]1 ZINC000336291775 387124223 /nfs/dbraw/zinc/12/42/23/387124223.db2.gz PJTFDECTFDSULE-JTQLQIEISA-N 1 2 238.360 1.441 20 0 BDADLO Cc1ccc(C[NH+]2CCS(=O)CC2)s1 ZINC000119392540 387124608 /nfs/dbraw/zinc/12/46/08/387124608.db2.gz YHYWQCKRKKBZIA-UHFFFAOYSA-N 1 2 229.370 1.621 20 0 BDADLO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000228730254 387124950 /nfs/dbraw/zinc/12/49/50/387124950.db2.gz HGJVYPLEOBUVOL-UTLUCORTSA-N 1 2 231.336 1.323 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000228922408 387126163 /nfs/dbraw/zinc/12/61/63/387126163.db2.gz LYORCVHCUQVBEA-JTQLQIEISA-N 1 2 235.331 1.895 20 0 BDADLO c1cn(Cc2ccc(NCC3CC3)nc2)c[nH+]1 ZINC000353147425 387144621 /nfs/dbraw/zinc/14/46/21/387144621.db2.gz YPXGARRQOOUGAP-UHFFFAOYSA-N 1 2 228.299 1.570 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1cccnc1C ZINC000353150446 387144749 /nfs/dbraw/zinc/14/47/49/387144749.db2.gz CMCZHLJPWQUVIH-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccnc1C ZINC000353150446 387144751 /nfs/dbraw/zinc/14/47/51/387144751.db2.gz CMCZHLJPWQUVIH-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1nncn1C)CC2 ZINC000571714577 387149038 /nfs/dbraw/zinc/14/90/38/387149038.db2.gz WVAXPZQYBKBUHE-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1nncn1C)CC2 ZINC000571714577 387149043 /nfs/dbraw/zinc/14/90/43/387149043.db2.gz WVAXPZQYBKBUHE-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO O=S1CC[NH+]([C@H]2/C=C/CCCCC2)CC1 ZINC000336323188 387152848 /nfs/dbraw/zinc/15/28/48/387152848.db2.gz FKKDOPHGAHHDSS-FUEXJSSKSA-N 1 2 227.373 1.940 20 0 BDADLO CCn1c[nH+]cc1CNC1(C(F)F)CC1 ZINC000418141290 387164916 /nfs/dbraw/zinc/16/49/16/387164916.db2.gz KUDKFCDJYXYTCF-UHFFFAOYSA-N 1 2 215.247 1.790 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000336341684 387171067 /nfs/dbraw/zinc/17/10/67/387171067.db2.gz LPXRXIFYLUHJPE-NSHDSACASA-N 1 2 248.326 1.649 20 0 BDADLO CCc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)o1 ZINC000336341684 387171073 /nfs/dbraw/zinc/17/10/73/387171073.db2.gz LPXRXIFYLUHJPE-NSHDSACASA-N 1 2 248.326 1.649 20 0 BDADLO CC(C)c1nc(N(C)C2CC(O)C2)cc[nH+]1 ZINC000353278871 387171136 /nfs/dbraw/zinc/17/11/36/387171136.db2.gz SPHHHXZSGADCPH-UHFFFAOYSA-N 1 2 221.304 1.560 20 0 BDADLO C[C@H](CC(=O)NC[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC000571806909 387174671 /nfs/dbraw/zinc/17/46/71/387174671.db2.gz RAFWYTPRQRJXME-WXHSDQCUSA-N 1 2 247.342 1.997 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)(F)CN)C12CCC2 ZINC000423334781 387180140 /nfs/dbraw/zinc/18/01/40/387180140.db2.gz FYAWXLSBMAHZNA-VHSXEESVSA-N 1 2 248.317 1.518 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]CC(F)(F)CN)C12CCC2 ZINC000423334779 387181864 /nfs/dbraw/zinc/18/18/64/387181864.db2.gz FYAWXLSBMAHZNA-UWVGGRQHSA-N 1 2 248.317 1.518 20 0 BDADLO CC[C@H](Nc1cn(C)nc1OC)c1[nH+]ccn1C ZINC000353345923 387185108 /nfs/dbraw/zinc/18/51/08/387185108.db2.gz FRYKPPVATAAUSS-VIFPVBQESA-N 1 2 249.318 1.725 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000352423165 387189889 /nfs/dbraw/zinc/18/98/89/387189889.db2.gz WTFWTUAUFQJXTE-GVXVVHGQSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)o1 ZINC000336359446 387189978 /nfs/dbraw/zinc/18/99/78/387189978.db2.gz RBHSJSAPGJPQMA-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO CC(C)c1nc(NCc2ncccc2O)cc[nH+]1 ZINC000359912501 387190221 /nfs/dbraw/zinc/19/02/21/387190221.db2.gz QVZZKKVPWBCSOY-UHFFFAOYSA-N 1 2 244.298 1.735 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccoc1 ZINC000371464362 387219675 /nfs/dbraw/zinc/21/96/75/387219675.db2.gz RFHKJANLRTWSMT-LLVKDONJSA-N 1 2 245.282 1.990 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CC1CC1)C2 ZINC000371491740 387221804 /nfs/dbraw/zinc/22/18/04/387221804.db2.gz VKNFFJUFRCAYFC-NSHDSACASA-N 1 2 233.315 1.423 20 0 BDADLO Cc1cc(NC[C@](C)(O)C2CC2)nc(C(C)C)[nH+]1 ZINC000336795773 387223309 /nfs/dbraw/zinc/22/33/09/387223309.db2.gz NEFZQECMEVYUPX-AWEZNQCLSA-N 1 2 249.358 1.903 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC3(CC3)C2)nn1C ZINC000360089337 387225471 /nfs/dbraw/zinc/22/54/71/387225471.db2.gz QQOQAZVGHNTAEN-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC3(CC3)C2)nn1C ZINC000360089337 387225476 /nfs/dbraw/zinc/22/54/76/387225476.db2.gz QQOQAZVGHNTAEN-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572057850 387225421 /nfs/dbraw/zinc/22/54/21/387225421.db2.gz PLLLAQKKNIWNEM-KXUCPTDWSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572057850 387225425 /nfs/dbraw/zinc/22/54/25/387225425.db2.gz PLLLAQKKNIWNEM-KXUCPTDWSA-N 1 2 239.319 1.128 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000371099116 387227043 /nfs/dbraw/zinc/22/70/43/387227043.db2.gz JVQAERNMTCSIPE-LLVKDONJSA-N 1 2 229.320 1.298 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000371099116 387227048 /nfs/dbraw/zinc/22/70/48/387227048.db2.gz JVQAERNMTCSIPE-LLVKDONJSA-N 1 2 229.320 1.298 20 0 BDADLO CCOC1CC([N@H+](C)Cc2csnn2)C1 ZINC000572079976 387228874 /nfs/dbraw/zinc/22/88/74/387228874.db2.gz FRKOYPZDPMHHCY-UHFFFAOYSA-N 1 2 227.333 1.537 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2csnn2)C1 ZINC000572079976 387228880 /nfs/dbraw/zinc/22/88/80/387228880.db2.gz FRKOYPZDPMHHCY-UHFFFAOYSA-N 1 2 227.333 1.537 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000360139681 387230838 /nfs/dbraw/zinc/23/08/38/387230838.db2.gz DVPUPCWILBPVLD-ZJUUUORDSA-N 1 2 221.304 1.473 20 0 BDADLO COC[C@H](Nc1cc(C)[nH+]cn1)[C@H]1CCCO1 ZINC000572098332 387233969 /nfs/dbraw/zinc/23/39/69/387233969.db2.gz YWHMXBNJRITJPC-WDEREUQCSA-N 1 2 237.303 1.391 20 0 BDADLO CCN1CC[N@H+](CCc2cccc(C)n2)[C@H](C)C1 ZINC000572116678 387237846 /nfs/dbraw/zinc/23/78/46/387237846.db2.gz AGXKCMYVEMYSJW-CQSZACIVSA-N 1 2 247.386 1.959 20 0 BDADLO CCN1CC[N@@H+](CCc2cccc(C)n2)[C@H](C)C1 ZINC000572116678 387237850 /nfs/dbraw/zinc/23/78/50/387237850.db2.gz AGXKCMYVEMYSJW-CQSZACIVSA-N 1 2 247.386 1.959 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)NCC1CC1)CC2 ZINC000371702463 387240543 /nfs/dbraw/zinc/24/05/43/387240543.db2.gz YLOZFKJVZVJTCZ-UHFFFAOYSA-N 1 2 234.303 1.127 20 0 BDADLO CCC[C@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000371701885 387241477 /nfs/dbraw/zinc/24/14/77/387241477.db2.gz VMIJIVKFDAXCBN-JTQLQIEISA-N 1 2 235.331 1.970 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)C)CC2 ZINC000623380067 387245186 /nfs/dbraw/zinc/24/51/86/387245186.db2.gz QNKMOKBFWQYXMO-LLVKDONJSA-N 1 2 235.331 1.526 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCCCO2)cc[nH+]1 ZINC000360224623 387248890 /nfs/dbraw/zinc/24/88/90/387248890.db2.gz JLJTVLZGIZGDPC-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO O=C(CCC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371364227 387198770 /nfs/dbraw/zinc/19/87/70/387198770.db2.gz LUJLWHHPXUMITM-SNVBAGLBSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(CCC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371364227 387198774 /nfs/dbraw/zinc/19/87/74/387198774.db2.gz LUJLWHHPXUMITM-SNVBAGLBSA-N 1 2 233.315 1.573 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CC(C)C)C2 ZINC000372551623 387311889 /nfs/dbraw/zinc/31/18/89/387311889.db2.gz VOXBKZYDWOOZON-LLVKDONJSA-N 1 2 235.331 1.669 20 0 BDADLO COCC[N@H+](Cc1cc(C(C)=O)no1)C1CC1 ZINC000514946754 387313262 /nfs/dbraw/zinc/31/32/62/387313262.db2.gz KCDGJPRDHBOCTR-UHFFFAOYSA-N 1 2 238.287 1.488 20 0 BDADLO COCC[N@@H+](Cc1cc(C(C)=O)no1)C1CC1 ZINC000514946754 387313266 /nfs/dbraw/zinc/31/32/66/387313266.db2.gz KCDGJPRDHBOCTR-UHFFFAOYSA-N 1 2 238.287 1.488 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000194952537 387254112 /nfs/dbraw/zinc/25/41/12/387254112.db2.gz DGTTZSOSBWWXKY-KOLCDFICSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000194952537 387254117 /nfs/dbraw/zinc/25/41/17/387254117.db2.gz DGTTZSOSBWWXKY-KOLCDFICSA-N 1 2 211.261 1.034 20 0 BDADLO Cc1c[nH]cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000336427455 387255455 /nfs/dbraw/zinc/25/54/55/387255455.db2.gz VSSDUTYDTAYFJT-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336429661 387256355 /nfs/dbraw/zinc/25/63/55/387256355.db2.gz PDFOLQNONDOCAC-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ncc(Cl)s1 ZINC000336429661 387256358 /nfs/dbraw/zinc/25/63/58/387256358.db2.gz PDFOLQNONDOCAC-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000188186389 387257697 /nfs/dbraw/zinc/25/76/97/387257697.db2.gz NDPKRVURRZHVSH-UWVGGRQHSA-N 1 2 237.303 1.935 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C2CC2)CC1 ZINC000572177525 387257816 /nfs/dbraw/zinc/25/78/16/387257816.db2.gz VHSDCJTXJUYHIR-VIFPVBQESA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C2CC2)CC1 ZINC000572177525 387257818 /nfs/dbraw/zinc/25/78/18/387257818.db2.gz VHSDCJTXJUYHIR-VIFPVBQESA-N 1 2 233.315 1.647 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@H]2C2CC2)cc[nH+]1 ZINC000230309112 387258779 /nfs/dbraw/zinc/25/87/79/387258779.db2.gz KQRPRTWHGXIOFW-JQWIXIFHSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(N[C@H]2CCO[C@@H]2C2CC2)cc[nH+]1 ZINC000230309104 387259645 /nfs/dbraw/zinc/25/96/45/387259645.db2.gz KQRPRTWHGXIOFW-CMPLNLGQSA-N 1 2 219.288 1.764 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@H]1F ZINC000424744493 387266322 /nfs/dbraw/zinc/26/63/22/387266322.db2.gz UTKDYVPBBUBTGA-ZYHUDNBSSA-N 1 2 239.294 1.480 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(F)nc1 ZINC000372641502 387317451 /nfs/dbraw/zinc/31/74/51/387317451.db2.gz SYICYJHNRNHZHI-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(F)nc1 ZINC000372641502 387317455 /nfs/dbraw/zinc/31/74/55/387317455.db2.gz SYICYJHNRNHZHI-ZJUUUORDSA-N 1 2 228.242 1.125 20 0 BDADLO [NH3+][C@H](C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1cscn1 ZINC000572234950 387282766 /nfs/dbraw/zinc/28/27/66/387282766.db2.gz KTAZKHOTBBOHJV-ODHVRURNSA-N 1 2 237.328 1.058 20 0 BDADLO CN(C(=O)C[NH+]1CC(C)(C)C1)c1ccccc1 ZINC000514738626 387283428 /nfs/dbraw/zinc/28/34/28/387283428.db2.gz RAOSWWWMPJQEEJ-UHFFFAOYSA-N 1 2 232.327 1.991 20 0 BDADLO Cc1cc(NC(=O)Cc2ccoc2)cc[nH+]1 ZINC000336457431 387284211 /nfs/dbraw/zinc/28/42/11/387284211.db2.gz UDJPCJBKXQGSKF-UHFFFAOYSA-N 1 2 216.240 1.586 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000336463350 387292248 /nfs/dbraw/zinc/29/22/48/387292248.db2.gz ZSRMYJLPSUDPFK-JTQLQIEISA-N 1 2 237.328 1.617 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000336463350 387292251 /nfs/dbraw/zinc/29/22/51/387292251.db2.gz ZSRMYJLPSUDPFK-JTQLQIEISA-N 1 2 237.328 1.617 20 0 BDADLO COC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000372660407 387318405 /nfs/dbraw/zinc/31/84/05/387318405.db2.gz ORRCENNLCBONGR-SNVBAGLBSA-N 1 2 239.271 1.216 20 0 BDADLO COC(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000372660407 387318411 /nfs/dbraw/zinc/31/84/11/387318411.db2.gz ORRCENNLCBONGR-SNVBAGLBSA-N 1 2 239.271 1.216 20 0 BDADLO C[C@@H](Cc1ccccc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000353907933 387294130 /nfs/dbraw/zinc/29/41/30/387294130.db2.gz IHXILDVBFJGHOW-NSHDSACASA-N 1 2 243.310 1.905 20 0 BDADLO C[C@@H](Cc1ccccc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000353907933 387294136 /nfs/dbraw/zinc/29/41/36/387294136.db2.gz IHXILDVBFJGHOW-NSHDSACASA-N 1 2 243.310 1.905 20 0 BDADLO O=C(c1ccoc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336532632 387354650 /nfs/dbraw/zinc/35/46/50/387354650.db2.gz AVUXLMRRGJRRKF-JTQLQIEISA-N 1 2 231.255 1.980 20 0 BDADLO CC1(C)C(NC(=O)CCc2[nH]cc[nH+]2)C1(C)C ZINC000354489961 387383941 /nfs/dbraw/zinc/38/39/41/387383941.db2.gz KWGVATXRQVPMMQ-UHFFFAOYSA-N 1 2 235.331 1.893 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOCC1CCC1 ZINC000515342258 387363034 /nfs/dbraw/zinc/36/30/34/387363034.db2.gz OAAXMXJIMCPLMA-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOCC1CCC1 ZINC000515342258 387363038 /nfs/dbraw/zinc/36/30/38/387363038.db2.gz OAAXMXJIMCPLMA-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CO[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354379484 387368363 /nfs/dbraw/zinc/36/83/63/387368363.db2.gz DXHDHLMIDDTBTD-LLVKDONJSA-N 1 2 221.304 1.627 20 0 BDADLO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000290101039 387373736 /nfs/dbraw/zinc/37/37/36/387373736.db2.gz HZJFTLIRWAMMNM-NRPADANISA-N 1 2 228.317 1.208 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@H](c2ccco2)C1 ZINC000121546095 387379215 /nfs/dbraw/zinc/37/92/15/387379215.db2.gz CFCBGEYYMHIFOE-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372752666 387325221 /nfs/dbraw/zinc/32/52/21/387325221.db2.gz SLALMAMNIXYGTJ-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@H](C)OCC(=O)Nc1cc[nH+]cc1O ZINC000162208044 387326755 /nfs/dbraw/zinc/32/67/55/387326755.db2.gz DDVNNCJROCWZQU-QMMMGPOBSA-N 1 2 224.260 1.541 20 0 BDADLO C[C@@H]([NH2+]Cc1csnn1)c1cc[nH]c(=O)c1 ZINC000354128865 387334103 /nfs/dbraw/zinc/33/41/03/387334103.db2.gz ASMBVEFHDYYKCB-SSDOTTSWSA-N 1 2 236.300 1.490 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000424758749 387335885 /nfs/dbraw/zinc/33/58/85/387335885.db2.gz VNEHXDCFQOXQKV-VHSXEESVSA-N 1 2 234.299 1.974 20 0 BDADLO Cn1cncc1C[NH2+][C@@H]1COc2cccc(F)c21 ZINC000360709027 387339921 /nfs/dbraw/zinc/33/99/21/387339921.db2.gz BOWAVBXRXBAFMJ-LLVKDONJSA-N 1 2 247.273 1.783 20 0 BDADLO CCc1cc(CC)nc(NCCn2cc[nH+]c2)n1 ZINC000286847580 387343576 /nfs/dbraw/zinc/34/35/76/387343576.db2.gz GGNIYOHJCXUZNV-UHFFFAOYSA-N 1 2 245.330 1.910 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CC12CCOCC2)C1CC1 ZINC000395715993 387344342 /nfs/dbraw/zinc/34/43/42/387344342.db2.gz AKMWLCBBKDRDME-WDEREUQCSA-N 1 2 239.315 1.097 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000336558791 387383543 /nfs/dbraw/zinc/38/35/43/387383543.db2.gz JSHCZSISIGQSMN-DTWKUNHWSA-N 1 2 240.282 1.110 20 0 BDADLO CC(C)CC[C@@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000361276971 387428341 /nfs/dbraw/zinc/42/83/41/387428341.db2.gz QREFIKJNUZJFDE-SNVBAGLBSA-N 1 2 226.324 1.034 20 0 BDADLO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000361276971 387428344 /nfs/dbraw/zinc/42/83/44/387428344.db2.gz QREFIKJNUZJFDE-SNVBAGLBSA-N 1 2 226.324 1.034 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000352672150 387432822 /nfs/dbraw/zinc/43/28/22/387432822.db2.gz QYXHHRGVQXJUIM-SRVKXCTJSA-N 1 2 231.311 1.614 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000352672150 387432824 /nfs/dbraw/zinc/43/28/24/387432824.db2.gz QYXHHRGVQXJUIM-SRVKXCTJSA-N 1 2 231.311 1.614 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000361323558 387438508 /nfs/dbraw/zinc/43/85/08/387438508.db2.gz HPLSZEPXZUVLDH-NWDGAFQWSA-N 1 2 243.314 1.198 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000361323558 387438510 /nfs/dbraw/zinc/43/85/10/387438510.db2.gz HPLSZEPXZUVLDH-NWDGAFQWSA-N 1 2 243.314 1.198 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000374381280 387447073 /nfs/dbraw/zinc/44/70/73/387447073.db2.gz SMLFZGKJLDEZFF-VIFPVBQESA-N 1 2 246.270 1.038 20 0 BDADLO CC/C=C\CC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000354924839 387448670 /nfs/dbraw/zinc/44/86/70/387448670.db2.gz FEYNXZUYZSRGRB-ARJAWSKDSA-N 1 2 222.292 1.156 20 0 BDADLO CC/C=C\CC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000354924839 387448676 /nfs/dbraw/zinc/44/86/76/387448676.db2.gz FEYNXZUYZSRGRB-ARJAWSKDSA-N 1 2 222.292 1.156 20 0 BDADLO CCC[C@@H]([NH2+][C@H](COC)CC(C)C)C(=O)OC ZINC000354929237 387449223 /nfs/dbraw/zinc/44/92/23/387449223.db2.gz LFQMIOKKXUWTCF-NWDGAFQWSA-N 1 2 245.363 1.979 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](OC)C1 ZINC000361371621 387450062 /nfs/dbraw/zinc/45/00/62/387450062.db2.gz IBLJPUWASRSWDC-OLZOCXBDSA-N 1 2 249.310 1.621 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](OC)C1 ZINC000361371621 387450074 /nfs/dbraw/zinc/45/00/74/387450074.db2.gz IBLJPUWASRSWDC-OLZOCXBDSA-N 1 2 249.310 1.621 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3cnccc3C)C2)c1 ZINC000374405464 387450354 /nfs/dbraw/zinc/45/03/54/387450354.db2.gz LRFORZJXJPNBRX-UHFFFAOYSA-N 1 2 242.326 1.952 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1cccc(O)c1)C2 ZINC000374417484 387452703 /nfs/dbraw/zinc/45/27/03/387452703.db2.gz ATFSCTYREFYJCM-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000336612755 387454514 /nfs/dbraw/zinc/45/45/14/387454514.db2.gz VQNQEJTYKDTSPI-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000336612755 387454517 /nfs/dbraw/zinc/45/45/17/387454517.db2.gz VQNQEJTYKDTSPI-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO Cc1ccc(NC(=O)C2=CCOCC2)c(C)[nH+]1 ZINC000336617779 387458877 /nfs/dbraw/zinc/45/88/77/387458877.db2.gz ZPVRNAMALPHERA-UHFFFAOYSA-N 1 2 232.283 1.984 20 0 BDADLO COCc1cnc(C[N@H+](C)C[C@H](C)O)s1 ZINC000361015320 387389536 /nfs/dbraw/zinc/38/95/36/387389536.db2.gz BFCBJHDGDMNSGS-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1cnc(C[N@@H+](C)C[C@H](C)O)s1 ZINC000361015320 387389538 /nfs/dbraw/zinc/38/95/38/387389538.db2.gz BFCBJHDGDMNSGS-QMMMGPOBSA-N 1 2 230.333 1.102 20 0 BDADLO Cc1nocc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000336572708 387395279 /nfs/dbraw/zinc/39/52/79/387395279.db2.gz AWGMYBBIOULKHS-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nocc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000336572708 387395284 /nfs/dbraw/zinc/39/52/84/387395284.db2.gz AWGMYBBIOULKHS-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CCC2(CCC2)C1 ZINC000373848177 387398580 /nfs/dbraw/zinc/39/85/80/387398580.db2.gz BDAMBNSHPGFHGA-UHFFFAOYSA-N 1 2 238.310 1.624 20 0 BDADLO FCCn1ncnc1C[N@H+]1CCC2(CCC2)C1 ZINC000373848177 387398585 /nfs/dbraw/zinc/39/85/85/387398585.db2.gz BDAMBNSHPGFHGA-UHFFFAOYSA-N 1 2 238.310 1.624 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000373829851 387398724 /nfs/dbraw/zinc/39/87/24/387398724.db2.gz VNVIXQRXDLUODO-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCCO[C@H](C)C1 ZINC000373829851 387398727 /nfs/dbraw/zinc/39/87/27/387398727.db2.gz VNVIXQRXDLUODO-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC[C@@H]1CCOC1 ZINC000515621176 387402049 /nfs/dbraw/zinc/40/20/49/387402049.db2.gz DMXXTPYKIYSYLD-SECBINFHSA-N 1 2 247.302 1.295 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCCC[C@H]1OC)C(=O)OC ZINC000303870014 387405947 /nfs/dbraw/zinc/40/59/47/387405947.db2.gz JJIAMCXGYUTCII-GARJFASQSA-N 1 2 229.320 1.485 20 0 BDADLO C(=C/c1ccncc1)\C[NH+]1CCOCC1 ZINC000336582780 387407938 /nfs/dbraw/zinc/40/79/38/387407938.db2.gz CJXWHECIHHLWHA-OWOJBTEDSA-N 1 2 204.273 1.427 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@H](C)CC[C@H]1C ZINC000515668555 387416411 /nfs/dbraw/zinc/41/64/11/387416411.db2.gz INUKMEPYCPHATM-GMTAPVOTSA-N 1 2 235.331 1.988 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@H](C)CC[C@H]1C ZINC000515668555 387416417 /nfs/dbraw/zinc/41/64/17/387416417.db2.gz INUKMEPYCPHATM-GMTAPVOTSA-N 1 2 235.331 1.988 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@]1(C)CCO[C@H]1C ZINC000336592490 387418658 /nfs/dbraw/zinc/41/86/58/387418658.db2.gz BJUAGXSVYHJNAN-GWCFXTLKSA-N 1 2 249.314 1.501 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)n1C ZINC000361230148 387419959 /nfs/dbraw/zinc/41/99/59/387419959.db2.gz TZOYACWWLSSMCW-GFCCVEGCSA-N 1 2 245.330 1.372 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](n3cccn3)C2)n1C ZINC000361230148 387419964 /nfs/dbraw/zinc/41/99/64/387419964.db2.gz TZOYACWWLSSMCW-GFCCVEGCSA-N 1 2 245.330 1.372 20 0 BDADLO Cc1c[nH+]c(CN2CC[C@@H](n3cccn3)C2)n1C ZINC000361230148 387419965 /nfs/dbraw/zinc/41/99/65/387419965.db2.gz TZOYACWWLSSMCW-GFCCVEGCSA-N 1 2 245.330 1.372 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000361568218 387495510 /nfs/dbraw/zinc/49/55/10/387495510.db2.gz QVDJZNVEEYHSBZ-AXFHLTTASA-N 1 2 243.347 1.730 20 0 BDADLO CCCc1noc(C[N@H+](CC)C[C@@H](C)OC)n1 ZINC000361572742 387497787 /nfs/dbraw/zinc/49/77/87/387497787.db2.gz GPVPYOQNCWFQHE-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CCCc1noc(C[N@@H+](CC)C[C@@H](C)OC)n1 ZINC000361572742 387497790 /nfs/dbraw/zinc/49/77/90/387497790.db2.gz GPVPYOQNCWFQHE-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO Cn1c[nH+]cc1Cn1c2ccccc2n(C)c1=O ZINC000122207649 387499396 /nfs/dbraw/zinc/49/93/96/387499396.db2.gz KEFLPKGUMWJWLK-UHFFFAOYSA-N 1 2 242.282 1.122 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](O)C2CCC2)cc(C)[nH+]1 ZINC000421918964 387502320 /nfs/dbraw/zinc/50/23/20/387502320.db2.gz QAUVRPCALXQRKU-ZDUSSCGKSA-N 1 2 248.326 1.476 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000122286034 387503770 /nfs/dbraw/zinc/50/37/70/387503770.db2.gz UBCCKCZFWYRAGF-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000374979523 387504085 /nfs/dbraw/zinc/50/40/85/387504085.db2.gz MAFOSMOADHFCMG-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000374979523 387504090 /nfs/dbraw/zinc/50/40/90/387504090.db2.gz MAFOSMOADHFCMG-SNVBAGLBSA-N 1 2 239.319 1.804 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000122286266 387504208 /nfs/dbraw/zinc/50/42/08/387504208.db2.gz UBCCKCZFWYRAGF-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000421923328 387504594 /nfs/dbraw/zinc/50/45/94/387504594.db2.gz VGCKNMMOKVYKIP-GHMZBOCLSA-N 1 2 235.331 1.608 20 0 BDADLO CO[C@@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375044473 387509327 /nfs/dbraw/zinc/50/93/27/387509327.db2.gz YZASWDOQJYLVKD-UWVGGRQHSA-N 1 2 237.303 1.498 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000361658297 387518788 /nfs/dbraw/zinc/51/87/88/387518788.db2.gz FIMWWUOBCBYGHN-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000361658297 387518791 /nfs/dbraw/zinc/51/87/91/387518791.db2.gz FIMWWUOBCBYGHN-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000352822049 387522160 /nfs/dbraw/zinc/52/21/60/387522160.db2.gz IYRCZTXLCNJFQN-UHFFFAOYSA-N 1 2 244.298 1.107 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000352822049 387522163 /nfs/dbraw/zinc/52/21/63/387522163.db2.gz IYRCZTXLCNJFQN-UHFFFAOYSA-N 1 2 244.298 1.107 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CCCC(C)(C)C2)n1 ZINC000192720185 387525984 /nfs/dbraw/zinc/52/59/84/387525984.db2.gz XXMMENQKRYHHFP-UHFFFAOYSA-N 1 2 238.335 1.758 20 0 BDADLO CN(C)c1noc(C[N@H+]2CCCC(C)(C)C2)n1 ZINC000192720185 387525987 /nfs/dbraw/zinc/52/59/87/387525987.db2.gz XXMMENQKRYHHFP-UHFFFAOYSA-N 1 2 238.335 1.758 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](n3cncn3)C2)cs1 ZINC000375329842 387530004 /nfs/dbraw/zinc/53/00/04/387530004.db2.gz WMJCNOYQZVPTMD-NSHDSACASA-N 1 2 249.343 1.490 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](n3cncn3)C2)cs1 ZINC000375329842 387530010 /nfs/dbraw/zinc/53/00/10/387530010.db2.gz WMJCNOYQZVPTMD-NSHDSACASA-N 1 2 249.343 1.490 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000417970825 387537347 /nfs/dbraw/zinc/53/73/47/387537347.db2.gz AHSNZANFYYUGTP-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000417970825 387537351 /nfs/dbraw/zinc/53/73/51/387537351.db2.gz AHSNZANFYYUGTP-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C1=COCCC1)CC2 ZINC000374666903 387478716 /nfs/dbraw/zinc/47/87/16/387478716.db2.gz YBTHOQOYZCXAMW-UHFFFAOYSA-N 1 2 247.298 1.228 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000336623580 387478897 /nfs/dbraw/zinc/47/88/97/387478897.db2.gz HOSNADGHZKIGKX-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000336623580 387478899 /nfs/dbraw/zinc/47/88/99/387478899.db2.gz HOSNADGHZKIGKX-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+](C)CCCF)n1 ZINC000361522846 387480335 /nfs/dbraw/zinc/48/03/35/387480335.db2.gz BXFUGUBAMKOBOQ-QMMMGPOBSA-N 1 2 231.271 1.568 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+](C)CCCF)n1 ZINC000361522846 387480341 /nfs/dbraw/zinc/48/03/41/387480341.db2.gz BXFUGUBAMKOBOQ-QMMMGPOBSA-N 1 2 231.271 1.568 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CC(C)(C)C)CC2 ZINC000374683008 387481151 /nfs/dbraw/zinc/48/11/51/387481151.db2.gz NTKHTVYZFFPISD-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[N@H+](Cc1cn(C(C)(C)C)nn1)[C@@H]1CCOC1 ZINC000361553353 387488486 /nfs/dbraw/zinc/48/84/86/387488486.db2.gz OPCYNWLJTPEMCG-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO C[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@@H]1CCOC1 ZINC000361553353 387488488 /nfs/dbraw/zinc/48/84/88/387488488.db2.gz OPCYNWLJTPEMCG-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1CCC1)C2 ZINC000375772590 387581294 /nfs/dbraw/zinc/58/12/94/387581294.db2.gz JXSDASFVUQSLKZ-LLVKDONJSA-N 1 2 233.315 1.423 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCOCC[C@@H]1C ZINC000362241313 387587300 /nfs/dbraw/zinc/58/73/00/387587300.db2.gz YNRKQRQAVYLIOM-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1CCOCC[C@@H]1C ZINC000362241313 387587305 /nfs/dbraw/zinc/58/73/05/387587305.db2.gz YNRKQRQAVYLIOM-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)no1 ZINC000528757752 387588530 /nfs/dbraw/zinc/58/85/30/387588530.db2.gz FSRXHKKVTKTNRU-BESMBUEOSA-N 1 2 239.319 1.841 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[C@](F)(CO)C1 ZINC000528488706 387588670 /nfs/dbraw/zinc/58/86/70/387588670.db2.gz GLWDTNUXHQOFQH-YPNJUMGQSA-N 1 2 207.676 1.535 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[C@](F)(CO)C1 ZINC000528488706 387588673 /nfs/dbraw/zinc/58/86/73/387588673.db2.gz GLWDTNUXHQOFQH-YPNJUMGQSA-N 1 2 207.676 1.535 20 0 BDADLO CC(C)Cc1noc(COCc2[nH]cc[nH+]2)n1 ZINC000123772862 387593437 /nfs/dbraw/zinc/59/34/37/387593437.db2.gz JHTMHRQQOQVAEN-UHFFFAOYSA-N 1 2 236.275 1.708 20 0 BDADLO COCc1cc(C[N@H+](C)CCSC)no1 ZINC000362305582 387594535 /nfs/dbraw/zinc/59/45/35/387594535.db2.gz NRWPWCOSTXXNNX-UHFFFAOYSA-N 1 2 230.333 1.616 20 0 BDADLO COCc1cc(C[N@@H+](C)CCSC)no1 ZINC000362305582 387594540 /nfs/dbraw/zinc/59/45/40/387594540.db2.gz NRWPWCOSTXXNNX-UHFFFAOYSA-N 1 2 230.333 1.616 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1[C@@H]1CCC(C)(C)C1 ZINC000375918320 387594774 /nfs/dbraw/zinc/59/47/74/387594774.db2.gz UVGXBQASRIAMMX-GHMZBOCLSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1[C@@H]1CCC(C)(C)C1 ZINC000375918320 387594778 /nfs/dbraw/zinc/59/47/78/387594778.db2.gz UVGXBQASRIAMMX-GHMZBOCLSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CCC12CCC2 ZINC000362319986 387596085 /nfs/dbraw/zinc/59/60/85/387596085.db2.gz MSWREAZNEMQECK-UHFFFAOYSA-N 1 2 235.335 1.557 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CCC12CCC2 ZINC000362319986 387596089 /nfs/dbraw/zinc/59/60/89/387596089.db2.gz MSWREAZNEMQECK-UHFFFAOYSA-N 1 2 235.335 1.557 20 0 BDADLO Cn1cc[nH+]c1CNc1cccc2c1C(=O)NC2 ZINC000123942413 387600827 /nfs/dbraw/zinc/60/08/27/387600827.db2.gz QDJBNCXCLCFGJK-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000376041935 387603395 /nfs/dbraw/zinc/60/33/95/387603395.db2.gz JEQHNCXJFDNFAL-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000376041935 387603400 /nfs/dbraw/zinc/60/34/00/387603400.db2.gz JEQHNCXJFDNFAL-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO CCCCCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000362424644 387610438 /nfs/dbraw/zinc/61/04/38/387610438.db2.gz KNJUPWCZXCPDOQ-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000362424644 387610446 /nfs/dbraw/zinc/61/04/46/387610446.db2.gz KNJUPWCZXCPDOQ-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cnns1 ZINC000430313048 387611866 /nfs/dbraw/zinc/61/18/66/387611866.db2.gz RRXHGDUBLVTYPR-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cnns1 ZINC000430313048 387611869 /nfs/dbraw/zinc/61/18/69/387611869.db2.gz RRXHGDUBLVTYPR-MRVPVSSYSA-N 1 2 240.332 1.351 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000356129505 387619085 /nfs/dbraw/zinc/61/90/85/387619085.db2.gz CGOFJMNWEWLZPR-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000356129505 387619088 /nfs/dbraw/zinc/61/90/88/387619088.db2.gz CGOFJMNWEWLZPR-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C)CCC1 ZINC000426167590 387545847 /nfs/dbraw/zinc/54/58/47/387545847.db2.gz LTBJDYJIGXWJIZ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO COC1(C[N@H+](CCO)CC(F)F)CCCC1 ZINC000355527244 387547764 /nfs/dbraw/zinc/54/77/64/387547764.db2.gz HBWNZKOWENTKLE-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO COC1(C[N@@H+](CCO)CC(F)F)CCCC1 ZINC000355527244 387547766 /nfs/dbraw/zinc/54/77/66/387547766.db2.gz HBWNZKOWENTKLE-UHFFFAOYSA-N 1 2 237.290 1.505 20 0 BDADLO Cc1cncc(C[N@@H+]2CC[C@H]3CCOC(=O)[C@@H]32)c1 ZINC000375543935 387552820 /nfs/dbraw/zinc/55/28/20/387552820.db2.gz CGYZPDZNBBFYNB-QWHCGFSZSA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cncc(C[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)c1 ZINC000375543935 387552824 /nfs/dbraw/zinc/55/28/24/387552824.db2.gz CGYZPDZNBBFYNB-QWHCGFSZSA-N 1 2 246.310 1.527 20 0 BDADLO Cc1ccc(C[N@H+](CCO)Cc2cc[nH]n2)o1 ZINC000355666908 387565046 /nfs/dbraw/zinc/56/50/46/387565046.db2.gz ZDCQTAASNUPBHL-UHFFFAOYSA-N 1 2 235.287 1.306 20 0 BDADLO Cc1ccc(C[N@@H+](CCO)Cc2cc[nH]n2)o1 ZINC000355666908 387565049 /nfs/dbraw/zinc/56/50/49/387565049.db2.gz ZDCQTAASNUPBHL-UHFFFAOYSA-N 1 2 235.287 1.306 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000375697640 387569559 /nfs/dbraw/zinc/56/95/59/387569559.db2.gz MWWPISZYDRZITM-DTWKUNHWSA-N 1 2 239.275 1.016 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000375697640 387569563 /nfs/dbraw/zinc/56/95/63/387569563.db2.gz MWWPISZYDRZITM-DTWKUNHWSA-N 1 2 239.275 1.016 20 0 BDADLO CC[N@H+](CCc1cccc(C)n1)CC(=O)OC ZINC000399794517 387569583 /nfs/dbraw/zinc/56/95/83/387569583.db2.gz VQJUHGJEFSABNI-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO CC[N@@H+](CCc1cccc(C)n1)CC(=O)OC ZINC000399794517 387569588 /nfs/dbraw/zinc/56/95/88/387569588.db2.gz VQJUHGJEFSABNI-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nncn2C)o1 ZINC000037989094 387570397 /nfs/dbraw/zinc/57/03/97/387570397.db2.gz ALDWFZQPXUJWPO-KOLCDFICSA-N 1 2 246.314 1.821 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2C)ccn1 ZINC000527536366 387630942 /nfs/dbraw/zinc/63/09/42/387630942.db2.gz XVEUWZXEILZGSS-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2C)ccn1 ZINC000527536366 387630945 /nfs/dbraw/zinc/63/09/45/387630945.db2.gz XVEUWZXEILZGSS-LBPRGKRZSA-N 1 2 219.332 1.526 20 0 BDADLO CCc1ccc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000356297112 387640509 /nfs/dbraw/zinc/64/05/09/387640509.db2.gz DORRRFHEAJYVPC-UHFFFAOYSA-N 1 2 243.310 1.565 20 0 BDADLO CC(C)n1nccc1C(=O)Nc1cc[nH+]cc1O ZINC000125121568 387644206 /nfs/dbraw/zinc/64/42/06/387644206.db2.gz RFNDPZQTWKLABF-UHFFFAOYSA-N 1 2 246.270 1.817 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](CO)[C@H]2C)cc[nH+]1 ZINC000362661225 387645733 /nfs/dbraw/zinc/64/57/33/387645733.db2.gz CWPGIRDFZLETTC-MNOVXSKESA-N 1 2 235.331 1.807 20 0 BDADLO Cc1cccnc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305778277 387649958 /nfs/dbraw/zinc/64/99/58/387649958.db2.gz QOQBSNZCHVQINR-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cccnc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305778277 387649963 /nfs/dbraw/zinc/64/99/63/387649963.db2.gz QOQBSNZCHVQINR-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO CC[C@@H](NC(=O)c1cnns1)c1[nH]cc[nH+]1 ZINC000125329224 387652398 /nfs/dbraw/zinc/65/23/98/387652398.db2.gz SKDRYPMYJHBRES-ZCFIWIBFSA-N 1 2 237.288 1.142 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)ccn1 ZINC000527672543 387654071 /nfs/dbraw/zinc/65/40/71/387654071.db2.gz ADNZANPXHSZPDA-UHFFFAOYSA-N 1 2 242.326 1.885 20 0 BDADLO C[C@H](CNC(=O)C[C@@H]1C[C@H]1C)Cn1cc[nH+]c1 ZINC000362818966 387662164 /nfs/dbraw/zinc/66/21/64/387662164.db2.gz WNZYIZQVQNFJRZ-UTUOFQBUSA-N 1 2 235.331 1.682 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccco1 ZINC000125721238 387663348 /nfs/dbraw/zinc/66/33/48/387663348.db2.gz VZINQDJWTDUVHR-MNOVXSKESA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccco1 ZINC000125721238 387663351 /nfs/dbraw/zinc/66/33/51/387663351.db2.gz VZINQDJWTDUVHR-MNOVXSKESA-N 1 2 239.271 1.042 20 0 BDADLO C[C@@H]1[C@H](C(=O)N(C)Cc2[nH+]ccn2C)[C@H]1C1CC1 ZINC000527703699 387668252 /nfs/dbraw/zinc/66/82/52/387668252.db2.gz AAOHEVNKKUKQBK-BIMULSAOSA-N 1 2 247.342 1.671 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000440706004 387673554 /nfs/dbraw/zinc/67/35/54/387673554.db2.gz QXVPTAKPJRESGZ-SSDOTTSWSA-N 1 2 249.240 1.077 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000440706004 387673558 /nfs/dbraw/zinc/67/35/58/387673558.db2.gz QXVPTAKPJRESGZ-SSDOTTSWSA-N 1 2 249.240 1.077 20 0 BDADLO CC(C)CCSCC(=O)NCc1[nH]cc[nH+]1 ZINC000114337902 387675745 /nfs/dbraw/zinc/67/57/45/387675745.db2.gz ACLZZAAQMNBQFH-UHFFFAOYSA-N 1 2 241.360 1.805 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000440711852 387677982 /nfs/dbraw/zinc/67/79/82/387677982.db2.gz JWSSRGRKDFPZCT-LLVKDONJSA-N 1 2 244.354 1.925 20 0 BDADLO C/C(=C\c1ccccc1)C[NH2+]Cc1nnn(C)n1 ZINC000362955314 387680927 /nfs/dbraw/zinc/68/09/27/387680927.db2.gz QGYISOBPDHBSQV-DHZHZOJOSA-N 1 2 243.314 1.403 20 0 BDADLO CC(C)[N@H+](CCC(=O)N(C)C)CC(F)F ZINC000362958925 387680941 /nfs/dbraw/zinc/68/09/41/387680941.db2.gz UCSZBJUVIRJDGO-UHFFFAOYSA-N 1 2 222.279 1.440 20 0 BDADLO CC(C)[N@@H+](CCC(=O)N(C)C)CC(F)F ZINC000362958925 387680944 /nfs/dbraw/zinc/68/09/44/387680944.db2.gz UCSZBJUVIRJDGO-UHFFFAOYSA-N 1 2 222.279 1.440 20 0 BDADLO CC(C)=CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367240506 387696260 /nfs/dbraw/zinc/69/62/60/387696260.db2.gz WXMNCEZVACANGG-CYBMUJFWSA-N 1 2 245.326 1.521 20 0 BDADLO c1csc(C[N@@H+]2CCC[C@H]3COC[C@H]32)n1 ZINC000367239537 387684069 /nfs/dbraw/zinc/68/40/69/387684069.db2.gz UQJKDNLRCCZQCT-VHSXEESVSA-N 1 2 224.329 1.754 20 0 BDADLO c1csc(C[N@H+]2CCC[C@H]3COC[C@H]32)n1 ZINC000367239537 387684077 /nfs/dbraw/zinc/68/40/77/387684077.db2.gz UQJKDNLRCCZQCT-VHSXEESVSA-N 1 2 224.329 1.754 20 0 BDADLO CC(C)(C)n1cc(C[N@@H+]2CCCOCC2)nn1 ZINC000377016609 387686877 /nfs/dbraw/zinc/68/68/77/387686877.db2.gz XPCIEMGXFSZGHE-UHFFFAOYSA-N 1 2 238.335 1.255 20 0 BDADLO CC(C)(C)n1cc(C[N@H+]2CCCOCC2)nn1 ZINC000377016609 387686883 /nfs/dbraw/zinc/68/68/83/387686883.db2.gz XPCIEMGXFSZGHE-UHFFFAOYSA-N 1 2 238.335 1.255 20 0 BDADLO CCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000363037721 387688969 /nfs/dbraw/zinc/68/89/69/387688969.db2.gz MKDRMDRFHAQPJT-VIFPVBQESA-N 1 2 221.304 1.573 20 0 BDADLO CCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000363037721 387688974 /nfs/dbraw/zinc/68/89/74/387688974.db2.gz MKDRMDRFHAQPJT-VIFPVBQESA-N 1 2 221.304 1.573 20 0 BDADLO CC[C@H](F)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000440777045 387694056 /nfs/dbraw/zinc/69/40/56/387694056.db2.gz DYKHXUJLPAVNAN-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@H](F)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000440777045 387694059 /nfs/dbraw/zinc/69/40/59/387694059.db2.gz DYKHXUJLPAVNAN-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO COC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377725944 387744159 /nfs/dbraw/zinc/74/41/59/387744159.db2.gz RLJRGHGISVGZHS-MWLCHTKSSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377725944 387744166 /nfs/dbraw/zinc/74/41/66/387744166.db2.gz RLJRGHGISVGZHS-MWLCHTKSSA-N 1 2 227.304 1.049 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1ncccc1F ZINC000527827376 387745287 /nfs/dbraw/zinc/74/52/87/387745287.db2.gz CNUPHZSQXXVPEG-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000367779950 387753161 /nfs/dbraw/zinc/75/31/61/387753161.db2.gz APJHCZUKUQJJHD-WDEREUQCSA-N 1 2 225.288 1.688 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000367779950 387753166 /nfs/dbraw/zinc/75/31/66/387753166.db2.gz APJHCZUKUQJJHD-WDEREUQCSA-N 1 2 225.288 1.688 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC000440778739 387697519 /nfs/dbraw/zinc/69/75/19/387697519.db2.gz LCOQQKWUDYQVQP-SSDOTTSWSA-N 1 2 249.240 1.220 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC000440778739 387697521 /nfs/dbraw/zinc/69/75/21/387697521.db2.gz LCOQQKWUDYQVQP-SSDOTTSWSA-N 1 2 249.240 1.220 20 0 BDADLO CC[C@H](F)C[N@H+](CC(=O)OC)C(C)C ZINC000440795964 387703390 /nfs/dbraw/zinc/70/33/90/387703390.db2.gz VECJNKDGQLYVMJ-VIFPVBQESA-N 1 2 205.273 1.618 20 0 BDADLO CC[C@H](F)C[N@@H+](CC(=O)OC)C(C)C ZINC000440795964 387703392 /nfs/dbraw/zinc/70/33/92/387703392.db2.gz VECJNKDGQLYVMJ-VIFPVBQESA-N 1 2 205.273 1.618 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000363313559 387706650 /nfs/dbraw/zinc/70/66/50/387706650.db2.gz HGWLSJIMFYQIKY-NWDGAFQWSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccccc1F ZINC000363313559 387706656 /nfs/dbraw/zinc/70/66/56/387706656.db2.gz HGWLSJIMFYQIKY-NWDGAFQWSA-N 1 2 236.290 1.836 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccc(F)cc3n2C)C[C@H]1O ZINC000431423416 387707885 /nfs/dbraw/zinc/70/78/85/387707885.db2.gz USEONFHQOBBZCQ-QPUJVOFHSA-N 1 2 249.289 1.529 20 0 BDADLO CC(C)[C@H](C)NC(=O)COc1cc[nH+]cc1 ZINC000431506946 387713341 /nfs/dbraw/zinc/71/33/41/387713341.db2.gz QISYYVHIPYPLLC-JTQLQIEISA-N 1 2 222.288 1.621 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)CCCO ZINC000440949177 387717628 /nfs/dbraw/zinc/71/76/28/387717628.db2.gz OGGYACSPFMXRBF-JTQLQIEISA-N 1 2 243.328 1.276 20 0 BDADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)CCCO ZINC000440949177 387717631 /nfs/dbraw/zinc/71/76/31/387717631.db2.gz OGGYACSPFMXRBF-JTQLQIEISA-N 1 2 243.328 1.276 20 0 BDADLO Cc1noc(CN2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000377555416 387724769 /nfs/dbraw/zinc/72/47/69/387724769.db2.gz BQFQNINTOQUIBL-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000527803842 387725527 /nfs/dbraw/zinc/72/55/27/387725527.db2.gz KSLFXAWWRBPRDK-BXSSEVMYSA-N 1 2 223.320 1.620 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nnc2n1CCCC2 ZINC000367631798 387736826 /nfs/dbraw/zinc/73/68/26/387736826.db2.gz FOEKEVNLXRKTFY-JTQLQIEISA-N 1 2 238.335 1.081 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000367631798 387736829 /nfs/dbraw/zinc/73/68/29/387736829.db2.gz FOEKEVNLXRKTFY-JTQLQIEISA-N 1 2 238.335 1.081 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cccc(O)c2)n1 ZINC000356893591 387741286 /nfs/dbraw/zinc/74/12/86/387741286.db2.gz LGOANEIQHBJQMW-QMMMGPOBSA-N 1 2 233.271 1.934 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CC[S@](=O)C1 ZINC000527908225 387765126 /nfs/dbraw/zinc/76/51/26/387765126.db2.gz DKLKDUHXJPDOFL-GLEZIHRCSA-N 1 2 226.301 1.023 20 0 BDADLO COc1ccc[nH+]c1N(C)C1CC(O)C1 ZINC000527965089 387811946 /nfs/dbraw/zinc/81/19/46/387811946.db2.gz ZFWGLACYPOEYAE-UHFFFAOYSA-N 1 2 208.261 1.050 20 0 BDADLO NC(=O)[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527884014 387770836 /nfs/dbraw/zinc/77/08/36/387770836.db2.gz FWWVIKQVICXIMU-LLVKDONJSA-N 1 2 241.294 1.546 20 0 BDADLO COc1ccc[nH+]c1N1CCCO[C@H](C)C1 ZINC000527881843 387771533 /nfs/dbraw/zinc/77/15/33/387771533.db2.gz PLXDYHNOQCQMEV-SNVBAGLBSA-N 1 2 222.288 1.705 20 0 BDADLO CC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378241377 387773103 /nfs/dbraw/zinc/77/31/03/387773103.db2.gz FMAOGEZGLBVPSP-JTQLQIEISA-N 1 2 207.277 1.205 20 0 BDADLO CCn1nncc1C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000527914428 387786108 /nfs/dbraw/zinc/78/61/08/387786108.db2.gz KEGJITLNTDDMBC-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO Cc1[nH+]c2ccccn2c1CNc1cccnn1 ZINC000432432004 387790555 /nfs/dbraw/zinc/79/05/55/387790555.db2.gz XFNWPCYXTTVNSY-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO CC(C)c1nc(N[C@H]2C(=O)NCC[C@@H]2C)cc[nH+]1 ZINC000193529213 387794057 /nfs/dbraw/zinc/79/40/57/387794057.db2.gz GKGBXCSMVFIKNJ-GXSJLCMTSA-N 1 2 248.330 1.537 20 0 BDADLO CC(C)CCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000422997613 387803384 /nfs/dbraw/zinc/80/33/84/387803384.db2.gz VAGHSOHIDNSYFG-SNVBAGLBSA-N 1 2 241.360 1.695 20 0 BDADLO O=C(NC(CF)CF)c1ccc2[nH+]ccn2c1 ZINC000452324292 387803821 /nfs/dbraw/zinc/80/38/21/387803821.db2.gz WZUKXPWRTGAXCI-UHFFFAOYSA-N 1 2 239.225 1.372 20 0 BDADLO CCn1ncnc1CNc1[nH+]cccc1OC ZINC000527994996 387805326 /nfs/dbraw/zinc/80/53/26/387805326.db2.gz MDGYRGAAYCJTQN-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO CCc1ccccc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000442646805 387811459 /nfs/dbraw/zinc/81/14/59/387811459.db2.gz HIFFWQWWVUZOPM-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CCc1ccccc1CC(=O)NCc1c[nH]c[nH+]1 ZINC000442646805 387811464 /nfs/dbraw/zinc/81/14/64/387811464.db2.gz HIFFWQWWVUZOPM-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc(C3CC3)c2)n1 ZINC000236092850 387872862 /nfs/dbraw/zinc/87/28/62/387872862.db2.gz KGPLNIPARWRPQR-UHFFFAOYSA-N 1 2 242.326 1.982 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](c2nnc[nH]2)C1 ZINC000528039959 387821876 /nfs/dbraw/zinc/82/18/76/387821876.db2.gz WSOHWTRERKCALA-SECBINFHSA-N 1 2 245.286 1.202 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432827400 387829624 /nfs/dbraw/zinc/82/96/24/387829624.db2.gz BZNGPAXPCXFMFN-UHFFFAOYSA-N 1 2 240.351 1.307 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432827400 387829630 /nfs/dbraw/zinc/82/96/30/387829630.db2.gz BZNGPAXPCXFMFN-UHFFFAOYSA-N 1 2 240.351 1.307 20 0 BDADLO CCn1cccc(CNc2cc[nH+]c(C)n2)c1=O ZINC000432844900 387832646 /nfs/dbraw/zinc/83/26/46/387832646.db2.gz ZFVHLRMUIIAONR-UHFFFAOYSA-N 1 2 244.298 1.001 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H](n2cccn2)C1 ZINC000528030144 387833287 /nfs/dbraw/zinc/83/32/87/387833287.db2.gz MKOWNUSWVWDQQB-LLVKDONJSA-N 1 2 244.298 1.738 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000151413522 387836908 /nfs/dbraw/zinc/83/69/08/387836908.db2.gz VECZKIJMDPFTKJ-LBPRGKRZSA-N 1 2 234.299 1.782 20 0 BDADLO Clc1ncccc1C[N@@H+]1CCCOCC1 ZINC000061803659 387846733 /nfs/dbraw/zinc/84/67/33/387846733.db2.gz CGWVDQOYIWKLRS-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1ncccc1C[N@H+]1CCCOCC1 ZINC000061803659 387846739 /nfs/dbraw/zinc/84/67/39/387846739.db2.gz CGWVDQOYIWKLRS-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO CC[C@H](NC(=O)c1c[nH]cc1C)c1[nH]cc[nH+]1 ZINC000442813438 387846642 /nfs/dbraw/zinc/84/66/42/387846642.db2.gz SICGZDBMYUPVNO-JTQLQIEISA-N 1 2 232.287 1.927 20 0 BDADLO Nc1nc(NCC2CC=CC2)[nH+]c2ccccc12 ZINC000528115200 387847495 /nfs/dbraw/zinc/84/74/95/387847495.db2.gz PDIXBPPMCYYSDE-UHFFFAOYSA-N 1 2 240.310 1.842 20 0 BDADLO Nc1[nH+]cnc(NCC2CC=CC2)c1Cl ZINC000528116203 387849548 /nfs/dbraw/zinc/84/95/48/387849548.db2.gz VHJAHJYLKXFYFA-UHFFFAOYSA-N 1 2 224.695 1.512 20 0 BDADLO Nc1nc[nH+]c(NCC2CC=CC2)c1Cl ZINC000528116203 387849554 /nfs/dbraw/zinc/84/95/54/387849554.db2.gz VHJAHJYLKXFYFA-UHFFFAOYSA-N 1 2 224.695 1.512 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCC1CC=CC1 ZINC000528116193 387850596 /nfs/dbraw/zinc/85/05/96/387850596.db2.gz VGUXJAMFPAXDDH-UHFFFAOYSA-N 1 2 244.302 1.154 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000452573136 387861598 /nfs/dbraw/zinc/86/15/98/387861598.db2.gz VMIOFAPMWSHXIX-SDDRHHMPSA-N 1 2 247.342 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](OC)C(C)C ZINC000452571874 387861819 /nfs/dbraw/zinc/86/18/19/387861819.db2.gz QMMNAQJQYNLTEK-NSHDSACASA-N 1 2 239.319 1.190 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193866681 387866070 /nfs/dbraw/zinc/86/60/70/387866070.db2.gz WXBRUJSOBWCGOU-JTQLQIEISA-N 1 2 237.303 1.152 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193866681 387866072 /nfs/dbraw/zinc/86/60/72/387866072.db2.gz WXBRUJSOBWCGOU-JTQLQIEISA-N 1 2 237.303 1.152 20 0 BDADLO COc1ccc[nH+]c1NCc1nnc(C2CC2)o1 ZINC000527969862 387814087 /nfs/dbraw/zinc/81/40/87/387814087.db2.gz VSVIQRSKIJWEQM-UHFFFAOYSA-N 1 2 246.270 1.963 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2nccs2)cn1 ZINC000309511586 387815591 /nfs/dbraw/zinc/81/55/91/387815591.db2.gz PMHJSSNQKJCEGU-UHFFFAOYSA-N 1 2 236.344 1.902 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](C)[C@H](OC)C1 ZINC000527976582 387816144 /nfs/dbraw/zinc/81/61/44/387816144.db2.gz DGWFGDNCMFUJTE-CMPLNLGQSA-N 1 2 236.315 1.951 20 0 BDADLO O[C@@H]1C[NH+](Cc2cccc(F)c2Cl)C[C@H]1O ZINC000236530223 387895415 /nfs/dbraw/zinc/89/54/15/387895415.db2.gz CLIWNDISDIYCTH-NXEZZACHSA-N 1 2 245.681 1.017 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000448693512 387875889 /nfs/dbraw/zinc/87/58/89/387875889.db2.gz DIRUURYFHCACKH-NXEZZACHSA-N 1 2 207.277 1.045 20 0 BDADLO Cc1cccc(CC[N@@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000645862021 387883915 /nfs/dbraw/zinc/88/39/15/387883915.db2.gz VDBKOEHVOXGSQV-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cccc(CC[N@H+]2CCN(C)C(=O)[C@@H]2C)n1 ZINC000645862021 387883921 /nfs/dbraw/zinc/88/39/21/387883921.db2.gz VDBKOEHVOXGSQV-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO C[C@H]1CC[C@@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000528228609 387884464 /nfs/dbraw/zinc/88/44/64/387884464.db2.gz BEVDYOLWIAKRBT-IUCAKERBSA-N 1 2 234.259 1.554 20 0 BDADLO CCC[C@@H](CC)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000423116585 387899477 /nfs/dbraw/zinc/89/94/77/387899477.db2.gz QMVGEYILUMPMBS-PSASIEDQSA-N 1 2 241.360 1.838 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195013969 387902010 /nfs/dbraw/zinc/90/20/10/387902010.db2.gz QDIPXZCXPZFVEI-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ncccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195013969 387902013 /nfs/dbraw/zinc/90/20/13/387902013.db2.gz QDIPXZCXPZFVEI-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C2(CO)CC2)s1 ZINC000528502292 387905670 /nfs/dbraw/zinc/90/56/70/387905670.db2.gz GZLMHNWQVRORFW-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C2(CO)CC2)s1 ZINC000528502292 387905676 /nfs/dbraw/zinc/90/56/76/387905676.db2.gz GZLMHNWQVRORFW-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c[nH+]1 ZINC000265915629 387905721 /nfs/dbraw/zinc/90/57/21/387905721.db2.gz CKFCDWYEMGNPMF-IEBDPFPHSA-N 1 2 249.314 1.261 20 0 BDADLO C[C@H](c1cc(F)ccc1F)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444699591 387912638 /nfs/dbraw/zinc/91/26/38/387912638.db2.gz DWOBJLXPDWPBOS-NZXMKCKXSA-N 1 2 243.253 1.063 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)[C@H](C)[C@@H](C)O1 ZINC000438377956 387930276 /nfs/dbraw/zinc/93/02/76/387930276.db2.gz VRBRMEYRDSPZRI-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)[C@H](C)[C@@H](C)O1 ZINC000438377956 387930279 /nfs/dbraw/zinc/93/02/79/387930279.db2.gz VRBRMEYRDSPZRI-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)[C@H](C)[C@@H](C)O1 ZINC000438377956 387930281 /nfs/dbraw/zinc/93/02/81/387930281.db2.gz VRBRMEYRDSPZRI-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO CC[C@H]1CC[N@@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000429280843 387934841 /nfs/dbraw/zinc/93/48/41/387934841.db2.gz SAVBZLNUBYBQAD-WCQYABFASA-N 1 2 240.347 1.201 20 0 BDADLO CC[C@H]1CC[N@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000429280843 387934846 /nfs/dbraw/zinc/93/48/46/387934846.db2.gz SAVBZLNUBYBQAD-WCQYABFASA-N 1 2 240.347 1.201 20 0 BDADLO CCn1cc[nH+]c1CN1CCc2ncsc2C1 ZINC000438367384 387928990 /nfs/dbraw/zinc/92/89/90/387928990.db2.gz MURDRHPBSPJVBZ-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn3ccccc23)[C@@H](C)CO1 ZINC000245538687 387955863 /nfs/dbraw/zinc/95/58/63/387955863.db2.gz KCXSALHLLVUHRH-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn3ccccc23)[C@@H](C)CO1 ZINC000245538687 387955866 /nfs/dbraw/zinc/95/58/66/387955866.db2.gz KCXSALHLLVUHRH-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO COC(=O)c1occc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000224935002 387941440 /nfs/dbraw/zinc/94/14/40/387941440.db2.gz WWRQXBQYYLPEKA-MRVPVSSYSA-N 1 2 249.270 1.640 20 0 BDADLO CCn1nncc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000459439313 387941942 /nfs/dbraw/zinc/94/19/42/387941942.db2.gz FGGISVUNXUOLOQ-GARJFASQSA-N 1 2 238.335 1.296 20 0 BDADLO CCn1nncc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000459439313 387941947 /nfs/dbraw/zinc/94/19/47/387941947.db2.gz FGGISVUNXUOLOQ-GARJFASQSA-N 1 2 238.335 1.296 20 0 BDADLO COC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245431058 387945452 /nfs/dbraw/zinc/94/54/52/387945452.db2.gz NWGXHKTWIQVUDW-GXFFZTMASA-N 1 2 219.284 1.852 20 0 BDADLO COC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245431058 387945458 /nfs/dbraw/zinc/94/54/58/387945458.db2.gz NWGXHKTWIQVUDW-GXFFZTMASA-N 1 2 219.284 1.852 20 0 BDADLO CC[N@H+](Cc1nsc(N(C)C)n1)C(C)C ZINC000156271161 387949699 /nfs/dbraw/zinc/94/96/99/387949699.db2.gz NNQPEIQRDLQHFV-UHFFFAOYSA-N 1 2 228.365 1.834 20 0 BDADLO CC[N@@H+](Cc1nsc(N(C)C)n1)C(C)C ZINC000156271161 387949701 /nfs/dbraw/zinc/94/97/01/387949701.db2.gz NNQPEIQRDLQHFV-UHFFFAOYSA-N 1 2 228.365 1.834 20 0 BDADLO CCc1ccccc1C[N@H+]1CCN(CC)C(=O)C1 ZINC000445785954 387966625 /nfs/dbraw/zinc/96/66/25/387966625.db2.gz TUQWFVZUTZDMIF-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO CCc1ccccc1C[N@@H+]1CCN(CC)C(=O)C1 ZINC000445785954 387966628 /nfs/dbraw/zinc/96/66/28/387966628.db2.gz TUQWFVZUTZDMIF-UHFFFAOYSA-N 1 2 246.354 1.913 20 0 BDADLO Cc1nccn1CC[N@@H+]1CCc2ncsc2C1 ZINC000445860254 387973972 /nfs/dbraw/zinc/97/39/72/387973972.db2.gz YDKSCZWXAYDXRK-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO Cc1nccn1CC[N@H+]1CCc2ncsc2C1 ZINC000445860254 387973974 /nfs/dbraw/zinc/97/39/74/387973974.db2.gz YDKSCZWXAYDXRK-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO O[C@H]1C[N@H+](CCC[C@H]2CCOC2)CC(F)(F)C1 ZINC000645886599 387983087 /nfs/dbraw/zinc/98/30/87/387983087.db2.gz XLYMJENYEWOCTC-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1C[N@@H+](CCC[C@H]2CCOC2)CC(F)(F)C1 ZINC000645886599 387983088 /nfs/dbraw/zinc/98/30/88/387983088.db2.gz XLYMJENYEWOCTC-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423219763 387999588 /nfs/dbraw/zinc/99/95/88/387999588.db2.gz XJCPBCBSRIHSRB-SCZZXKLOSA-N 1 2 241.360 1.551 20 0 BDADLO C[C@@H](CC(=O)N(C)C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423220540 388001365 /nfs/dbraw/zinc/00/13/65/388001365.db2.gz VMGWIGULORUNDA-JTQLQIEISA-N 1 2 247.342 1.933 20 0 BDADLO C[C@@H](CC(=O)N(C)C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423220540 388001370 /nfs/dbraw/zinc/00/13/70/388001370.db2.gz VMGWIGULORUNDA-JTQLQIEISA-N 1 2 247.342 1.933 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCCSC ZINC000439476660 388001938 /nfs/dbraw/zinc/00/19/38/388001938.db2.gz ZMIQZXMXMQOKBZ-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCCSC ZINC000439476660 388001943 /nfs/dbraw/zinc/00/19/43/388001943.db2.gz ZMIQZXMXMQOKBZ-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CC[C@H](C[C@@H](C)CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000439703828 388014613 /nfs/dbraw/zinc/01/46/13/388014613.db2.gz BIYJXFXRMNUKCS-ZYHUDNBSSA-N 1 2 249.358 1.985 20 0 BDADLO COc1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)cc1 ZINC000082268247 388020875 /nfs/dbraw/zinc/02/08/75/388020875.db2.gz NPTDSSDPPVSPPY-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439824014 388022247 /nfs/dbraw/zinc/02/22/47/388022247.db2.gz DPFJQBRURRCEGJ-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000440270111 388037806 /nfs/dbraw/zinc/03/78/06/388037806.db2.gz SEMHROXYJTXBEM-TUAOUCFPSA-N 1 2 247.342 1.560 20 0 BDADLO C[N@H+](Cc1ncnn1CCF)[C@H]1CC1(C)C ZINC000440531598 388052868 /nfs/dbraw/zinc/05/28/68/388052868.db2.gz JVCACPUFQAPELJ-VIFPVBQESA-N 1 2 226.299 1.478 20 0 BDADLO C[N@@H+](Cc1ncnn1CCF)[C@H]1CC1(C)C ZINC000440531598 388052871 /nfs/dbraw/zinc/05/28/71/388052871.db2.gz JVCACPUFQAPELJ-VIFPVBQESA-N 1 2 226.299 1.478 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000440537726 388053391 /nfs/dbraw/zinc/05/33/91/388053391.db2.gz ZDXMBZPUSKOLOL-PKFCDNJMSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000440537726 388053396 /nfs/dbraw/zinc/05/33/96/388053396.db2.gz ZDXMBZPUSKOLOL-PKFCDNJMSA-N 1 2 221.341 1.577 20 0 BDADLO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(C)on2)CC1=O ZINC000453355308 388056610 /nfs/dbraw/zinc/05/66/10/388056610.db2.gz LDIMLXHCIDPXPT-UWVGGRQHSA-N 1 2 237.303 1.254 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000440692666 388066916 /nfs/dbraw/zinc/06/69/16/388066916.db2.gz LKYINVIXLVPBMV-GUBZILKMSA-N 1 2 239.356 1.488 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000440692666 388066919 /nfs/dbraw/zinc/06/69/19/388066919.db2.gz LKYINVIXLVPBMV-GUBZILKMSA-N 1 2 239.356 1.488 20 0 BDADLO CC(C)n1ncnc1C[N@H+](CCO)C(C)C ZINC000083995447 388068351 /nfs/dbraw/zinc/06/83/51/388068351.db2.gz LMGBQLWMRZEKSS-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](CCO)C(C)C ZINC000083995447 388068353 /nfs/dbraw/zinc/06/83/53/388068353.db2.gz LMGBQLWMRZEKSS-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CCNC(=O)C[N@H+](CC)C[C@@H](F)CC ZINC000440695147 388068752 /nfs/dbraw/zinc/06/87/52/388068752.db2.gz FTKISGFLHSJDNZ-VIFPVBQESA-N 1 2 204.289 1.193 20 0 BDADLO CCNC(=O)C[N@@H+](CC)C[C@@H](F)CC ZINC000440695147 388068757 /nfs/dbraw/zinc/06/87/57/388068757.db2.gz FTKISGFLHSJDNZ-VIFPVBQESA-N 1 2 204.289 1.193 20 0 BDADLO Cc1ccc(CC[NH2+]Cc2ccn[nH]2)nc1 ZINC000453602607 388091085 /nfs/dbraw/zinc/09/10/85/388091085.db2.gz PGENXEUSOYWSJW-UHFFFAOYSA-N 1 2 216.288 1.445 20 0 BDADLO Cc1nc(N2C[C@@H](O)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC000447801573 388093973 /nfs/dbraw/zinc/09/39/73/388093973.db2.gz DDKVZLWVFBSABR-LLVKDONJSA-N 1 2 235.331 1.609 20 0 BDADLO C[C@@]1(C(=O)NCCCn2cc[nH+]c2)C[C@H]1F ZINC000424531510 388098561 /nfs/dbraw/zinc/09/85/61/388098561.db2.gz WFLYVEUGMCNJTG-MWLCHTKSSA-N 1 2 225.267 1.138 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+](C)C2CC2)cs1 ZINC000056494666 388099210 /nfs/dbraw/zinc/09/92/10/388099210.db2.gz JOSODTLHLUOWIE-UHFFFAOYSA-N 1 2 225.317 1.696 20 0 BDADLO CC(=O)Nc1nc(C[N@H+](C)C2CC2)cs1 ZINC000056494666 388099214 /nfs/dbraw/zinc/09/92/14/388099214.db2.gz JOSODTLHLUOWIE-UHFFFAOYSA-N 1 2 225.317 1.696 20 0 BDADLO CCCn1ncnc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000447886002 388100034 /nfs/dbraw/zinc/10/00/34/388100034.db2.gz MJRUXUFRILDTAF-SECBINFHSA-N 1 2 234.307 1.262 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)NC(C)C ZINC000454135761 388100875 /nfs/dbraw/zinc/10/08/75/388100875.db2.gz PPDHHIOJRSBMKU-VIFPVBQESA-N 1 2 224.308 1.672 20 0 BDADLO CC[C@@H](Nc1nc(C)[nH+]c(N)n1)C1CC1 ZINC000324136822 388111045 /nfs/dbraw/zinc/11/10/45/388111045.db2.gz JQBVAIRACOXAEW-MRVPVSSYSA-N 1 2 207.281 1.363 20 0 BDADLO CC[C@@H](Nc1nc(N)nc(C)[nH+]1)C1CC1 ZINC000324136822 388111050 /nfs/dbraw/zinc/11/10/50/388111050.db2.gz JQBVAIRACOXAEW-MRVPVSSYSA-N 1 2 207.281 1.363 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000440504457 388047245 /nfs/dbraw/zinc/04/72/45/388047245.db2.gz WYCRVWSWCAEBEE-SNVBAGLBSA-N 1 2 237.351 1.468 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000440504457 388047248 /nfs/dbraw/zinc/04/72/48/388047248.db2.gz WYCRVWSWCAEBEE-SNVBAGLBSA-N 1 2 237.351 1.468 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000440522960 388050743 /nfs/dbraw/zinc/05/07/43/388050743.db2.gz XGVUFAJKMMDZIE-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H](F)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000440522960 388050745 /nfs/dbraw/zinc/05/07/45/388050745.db2.gz XGVUFAJKMMDZIE-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)n1cc(C[NH2+]C(CF)CF)cn1 ZINC000449379736 388187576 /nfs/dbraw/zinc/18/75/76/388187576.db2.gz KACCCLFSKISQGM-UHFFFAOYSA-N 1 2 217.263 1.861 20 0 BDADLO Cc1ncccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646257697 388172075 /nfs/dbraw/zinc/17/20/75/388172075.db2.gz CZWXAPBBEZUQNQ-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1ncccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646257697 388172076 /nfs/dbraw/zinc/17/20/76/388172076.db2.gz CZWXAPBBEZUQNQ-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO O=C(CCc1ccco1)N1CCc2[nH]c[nH+]c2C1 ZINC000646260564 388172128 /nfs/dbraw/zinc/17/21/28/388172128.db2.gz RWNNXJBEPHHJGE-UHFFFAOYSA-N 1 2 245.282 1.520 20 0 BDADLO O=C(CCc1ccco1)N1CCc2[nH+]c[nH]c2C1 ZINC000646260564 388172129 /nfs/dbraw/zinc/17/21/29/388172129.db2.gz RWNNXJBEPHHJGE-UHFFFAOYSA-N 1 2 245.282 1.520 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)s1 ZINC000646259172 388172163 /nfs/dbraw/zinc/17/21/63/388172163.db2.gz KMVLOOGESVFRFL-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)s1 ZINC000646259172 388172164 /nfs/dbraw/zinc/17/21/64/388172164.db2.gz KMVLOOGESVFRFL-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO CO[C@@H](C)CCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260308 388172230 /nfs/dbraw/zinc/17/22/30/388172230.db2.gz GIFBFRTYHJMCDN-VIFPVBQESA-N 1 2 237.303 1.110 20 0 BDADLO CO[C@@H](C)CCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260308 388172233 /nfs/dbraw/zinc/17/22/33/388172233.db2.gz GIFBFRTYHJMCDN-VIFPVBQESA-N 1 2 237.303 1.110 20 0 BDADLO O=C(CCc1ccoc1)N1CCc2[nH]c[nH+]c2C1 ZINC000646261004 388173011 /nfs/dbraw/zinc/17/30/11/388173011.db2.gz XHQKVZUXJLYTHJ-UHFFFAOYSA-N 1 2 245.282 1.520 20 0 BDADLO O=C(CCc1ccoc1)N1CCc2[nH+]c[nH]c2C1 ZINC000646261004 388173013 /nfs/dbraw/zinc/17/30/13/388173013.db2.gz XHQKVZUXJLYTHJ-UHFFFAOYSA-N 1 2 245.282 1.520 20 0 BDADLO CC/C=C\CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456105404 388177890 /nfs/dbraw/zinc/17/78/90/388177890.db2.gz UICBEEDGVIROJP-XOULXFPDSA-N 1 2 233.315 1.912 20 0 BDADLO CC/C=C\CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000456105404 388177891 /nfs/dbraw/zinc/17/78/91/388177891.db2.gz UICBEEDGVIROJP-XOULXFPDSA-N 1 2 233.315 1.912 20 0 BDADLO CC/C=C/CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456105390 388177942 /nfs/dbraw/zinc/17/79/42/388177942.db2.gz UICBEEDGVIROJP-FSIBCCDJSA-N 1 2 233.315 1.912 20 0 BDADLO CC/C=C/CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000456105390 388177943 /nfs/dbraw/zinc/17/79/43/388177943.db2.gz UICBEEDGVIROJP-FSIBCCDJSA-N 1 2 233.315 1.912 20 0 BDADLO CC(C)Cn1cc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000449352862 388180313 /nfs/dbraw/zinc/18/03/13/388180313.db2.gz YPVITAMMXYPKQV-UHFFFAOYSA-N 1 2 249.358 1.902 20 0 BDADLO CC(C)Cn1cc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000449352862 388180316 /nfs/dbraw/zinc/18/03/16/388180316.db2.gz YPVITAMMXYPKQV-UHFFFAOYSA-N 1 2 249.358 1.902 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)C(F)F ZINC000449366161 388183254 /nfs/dbraw/zinc/18/32/54/388183254.db2.gz XTUYXPKWSISXPS-SNVBAGLBSA-N 1 2 242.269 1.919 20 0 BDADLO CCCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456201132 388184690 /nfs/dbraw/zinc/18/46/90/388184690.db2.gz BKOARIFKQDWDOH-TXEJJXNPSA-N 1 2 240.347 1.156 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456201132 388184692 /nfs/dbraw/zinc/18/46/92/388184692.db2.gz BKOARIFKQDWDOH-TXEJJXNPSA-N 1 2 240.347 1.156 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC1CCC1 ZINC000454461090 388119028 /nfs/dbraw/zinc/11/90/28/388119028.db2.gz LIUWCOCMBLWMHH-SECBINFHSA-N 1 2 236.319 1.816 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ccncc1F ZINC000449013786 388130186 /nfs/dbraw/zinc/13/01/86/388130186.db2.gz FECSVVZRYSKRKY-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ccncc1F ZINC000449013786 388130188 /nfs/dbraw/zinc/13/01/88/388130188.db2.gz FECSVVZRYSKRKY-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO COC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC000646047293 388132636 /nfs/dbraw/zinc/13/26/36/388132636.db2.gz RDYLNAVPUVHGKT-UHFFFAOYSA-N 1 2 245.282 1.842 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000646070136 388136260 /nfs/dbraw/zinc/13/62/60/388136260.db2.gz LRJZZNKTSYYUGT-CYBMUJFWSA-N 1 2 249.289 1.762 20 0 BDADLO OCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000646070137 388136337 /nfs/dbraw/zinc/13/63/37/388136337.db2.gz LRJZZNKTSYYUGT-ZDUSSCGKSA-N 1 2 249.289 1.762 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000455042186 388146003 /nfs/dbraw/zinc/14/60/03/388146003.db2.gz OFSVBBLNEWNQFQ-MNOVXSKESA-N 1 2 233.315 1.980 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000646116400 388145993 /nfs/dbraw/zinc/14/59/93/388145993.db2.gz LBAOFRDCDBJPGK-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000646116400 388145995 /nfs/dbraw/zinc/14/59/95/388145995.db2.gz LBAOFRDCDBJPGK-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO O=C(CC1CCC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449653080 388248461 /nfs/dbraw/zinc/24/84/61/388248461.db2.gz RORKBYWDHSBQQU-JTQLQIEISA-N 1 2 246.301 1.538 20 0 BDADLO CC(C)(C)c1nsc(NCC[NH+]2CCC2)n1 ZINC000336662382 388260742 /nfs/dbraw/zinc/26/07/42/388260742.db2.gz KGLSZLXIGQIRQO-UHFFFAOYSA-N 1 2 240.376 1.375 20 0 BDADLO CC(C)(C)c1nc(=NCC[NH+]2CCC2)s[nH]1 ZINC000336662382 388260745 /nfs/dbraw/zinc/26/07/45/388260745.db2.gz KGLSZLXIGQIRQO-UHFFFAOYSA-N 1 2 240.376 1.375 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H](F)C2)cn1C ZINC000449398813 388194281 /nfs/dbraw/zinc/19/42/81/388194281.db2.gz YZHQDHVCSUATDP-SNVBAGLBSA-N 1 2 240.278 1.356 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@@H](F)C2)cn1C ZINC000449398813 388194282 /nfs/dbraw/zinc/19/42/82/388194282.db2.gz YZHQDHVCSUATDP-SNVBAGLBSA-N 1 2 240.278 1.356 20 0 BDADLO COCCCCC[S@@](=O)Cc1c[nH+]cn1C ZINC000489114997 388204246 /nfs/dbraw/zinc/20/42/46/388204246.db2.gz FFBRADQLLPKSGO-MRXNPFEDSA-N 1 2 244.360 1.486 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CC2(C)C)n1C ZINC000489433091 388213644 /nfs/dbraw/zinc/21/36/44/388213644.db2.gz AUTQJMGTWHAEIO-VIFPVBQESA-N 1 2 222.336 1.608 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CC2(C)C)n1C ZINC000489433091 388213646 /nfs/dbraw/zinc/21/36/46/388213646.db2.gz AUTQJMGTWHAEIO-VIFPVBQESA-N 1 2 222.336 1.608 20 0 BDADLO COCc1noc(C[N@H+](C)[C@@H]2CC2(C)C)n1 ZINC000489449814 388214951 /nfs/dbraw/zinc/21/49/51/388214951.db2.gz OKSRILDMSBRHBK-MRVPVSSYSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1noc(C[N@@H+](C)[C@@H]2CC2(C)C)n1 ZINC000489449814 388214952 /nfs/dbraw/zinc/21/49/52/388214952.db2.gz OKSRILDMSBRHBK-MRVPVSSYSA-N 1 2 225.292 1.446 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000489442627 388215092 /nfs/dbraw/zinc/21/50/92/388215092.db2.gz VBUGQINBKBXWAR-IJLUTSLNSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CC2(C)C)[nH]1 ZINC000489499829 388218963 /nfs/dbraw/zinc/21/89/63/388218963.db2.gz UDDDNEOEZFOURK-QMMMGPOBSA-N 1 2 208.309 1.597 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CC2(C)C)[nH]1 ZINC000489499829 388218966 /nfs/dbraw/zinc/21/89/66/388218966.db2.gz UDDDNEOEZFOURK-QMMMGPOBSA-N 1 2 208.309 1.597 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000489564335 388221301 /nfs/dbraw/zinc/22/13/01/388221301.db2.gz XUAZINKINJIQTH-SNVBAGLBSA-N 1 2 239.290 1.862 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000489564335 388221303 /nfs/dbraw/zinc/22/13/03/388221303.db2.gz XUAZINKINJIQTH-SNVBAGLBSA-N 1 2 239.290 1.862 20 0 BDADLO C/C(=C/c1ccccc1)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000449519254 388222908 /nfs/dbraw/zinc/22/29/08/388222908.db2.gz BNWCQULBFZHYPC-FSBNRTBOSA-N 1 2 244.338 1.910 20 0 BDADLO C/C(=C/c1ccccc1)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000449519254 388222910 /nfs/dbraw/zinc/22/29/10/388222910.db2.gz BNWCQULBFZHYPC-FSBNRTBOSA-N 1 2 244.338 1.910 20 0 BDADLO CO[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)C1CC1 ZINC000456834636 388226441 /nfs/dbraw/zinc/22/64/41/388226441.db2.gz IDFGMBKSMVHUND-CYBMUJFWSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1cc(C)c(CNC(=O)CC2(O)CCC2)c[nH+]1 ZINC000456851174 388227489 /nfs/dbraw/zinc/22/74/89/388227489.db2.gz WKUFWVNHHRKPIU-UHFFFAOYSA-N 1 2 248.326 1.620 20 0 BDADLO COc1ccc(F)cc1CNc1cc[nH+]c(C)n1 ZINC000489913973 388228250 /nfs/dbraw/zinc/22/82/50/388228250.db2.gz BOABNIKSFKLYMM-UHFFFAOYSA-N 1 2 247.273 1.967 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H]2CCO)cc[nH+]1 ZINC000489986641 388229749 /nfs/dbraw/zinc/22/97/49/388229749.db2.gz VCTPEKUAVHPVEZ-LLVKDONJSA-N 1 2 235.331 1.951 20 0 BDADLO CC[C@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000490091596 388234363 /nfs/dbraw/zinc/23/43/63/388234363.db2.gz MDIDHQOBVZSLLU-AWEZNQCLSA-N 1 2 243.310 1.981 20 0 BDADLO COCC[N@H+](Cc1ncc(C)o1)[C@H]1CCOC1 ZINC000490090079 388234455 /nfs/dbraw/zinc/23/44/55/388234455.db2.gz NMADYTPEHMQQGF-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COCC[N@@H+](Cc1ncc(C)o1)[C@H]1CCOC1 ZINC000490090079 388234457 /nfs/dbraw/zinc/23/44/57/388234457.db2.gz NMADYTPEHMQQGF-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO CCCN(CC)c1nc(C)[nH+]c(N(C)C)n1 ZINC000490090216 388234660 /nfs/dbraw/zinc/23/46/60/388234660.db2.gz LBNBUWFOQIGDJX-UHFFFAOYSA-N 1 2 223.324 1.482 20 0 BDADLO CCCN(CC)c1nc(N(C)C)nc(C)[nH+]1 ZINC000490090216 388234661 /nfs/dbraw/zinc/23/46/61/388234661.db2.gz LBNBUWFOQIGDJX-UHFFFAOYSA-N 1 2 223.324 1.482 20 0 BDADLO COCC[N@H+](Cc1nccs1)[C@H]1CCOC1 ZINC000490082418 388234832 /nfs/dbraw/zinc/23/48/32/388234832.db2.gz ANRADKNYHNWWQM-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO COCC[N@@H+](Cc1nccs1)[C@H]1CCOC1 ZINC000490082418 388234834 /nfs/dbraw/zinc/23/48/34/388234834.db2.gz ANRADKNYHNWWQM-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO Cc1nc(N2C[C@@H]3CCC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000490139924 388235091 /nfs/dbraw/zinc/23/50/91/388235091.db2.gz PODNQRCHCDNHLE-PHIMTYICSA-N 1 2 247.346 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000490139924 388235093 /nfs/dbraw/zinc/23/50/93/388235093.db2.gz PODNQRCHCDNHLE-PHIMTYICSA-N 1 2 247.346 1.482 20 0 BDADLO CSC1(C[N@@H+](CC(F)F)C[C@@H](C)O)CC1 ZINC000449635870 388245338 /nfs/dbraw/zinc/24/53/38/388245338.db2.gz VEFLZGKVTCCJBV-MRVPVSSYSA-N 1 2 239.331 1.830 20 0 BDADLO CSC1(C[N@H+](CC(F)F)C[C@@H](C)O)CC1 ZINC000449635870 388245340 /nfs/dbraw/zinc/24/53/40/388245340.db2.gz VEFLZGKVTCCJBV-MRVPVSSYSA-N 1 2 239.331 1.830 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000449632245 388246138 /nfs/dbraw/zinc/24/61/38/388246138.db2.gz QTSXZQCDDPXJDT-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCCOC1 ZINC000449632245 388246140 /nfs/dbraw/zinc/24/61/40/388246140.db2.gz QTSXZQCDDPXJDT-UWVGGRQHSA-N 1 2 237.290 1.361 20 0 BDADLO COCc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000459576563 388246618 /nfs/dbraw/zinc/24/66/18/388246618.db2.gz GHSGOHQNFJXNSA-UHFFFAOYSA-N 1 2 221.300 1.664 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000451629221 388285308 /nfs/dbraw/zinc/28/53/08/388285308.db2.gz CRRVWSUYRMKGBB-IJLUTSLNSA-N 1 2 243.347 1.731 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2C=CCCC2)CCOCC1 ZINC000451754032 388293312 /nfs/dbraw/zinc/29/33/12/388293312.db2.gz CUBILLOXFHEBHK-LLVKDONJSA-N 1 2 239.315 1.407 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H](O)C(C)(C)C ZINC000451836769 388299248 /nfs/dbraw/zinc/29/92/48/388299248.db2.gz PUAYPWIJESZFIU-RKDXNWHRSA-N 1 2 239.306 1.341 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](O)C(C)(C)C ZINC000451836769 388299250 /nfs/dbraw/zinc/29/92/50/388299250.db2.gz PUAYPWIJESZFIU-RKDXNWHRSA-N 1 2 239.306 1.341 20 0 BDADLO CC[C@@H](C)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000451830890 388299282 /nfs/dbraw/zinc/29/92/82/388299282.db2.gz YUSONZHRSLSSEA-KGLIPLIRSA-N 1 2 240.391 1.972 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000451838279 388299508 /nfs/dbraw/zinc/29/95/08/388299508.db2.gz IQJZIOXLBBSJLM-MELADBBJSA-N 1 2 240.391 1.970 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccncc1 ZINC000491643609 388307724 /nfs/dbraw/zinc/30/77/24/388307724.db2.gz OQHLFJIUJAGGHG-IHWYPQMZSA-N 1 2 242.282 1.477 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccncc1 ZINC000492045075 388332597 /nfs/dbraw/zinc/33/25/97/388332597.db2.gz TWCCVDMYTVVGJU-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(/C=C\c1ccsc1)NCc1[nH]cc[nH+]1 ZINC000491841679 388324740 /nfs/dbraw/zinc/32/47/40/388324740.db2.gz FGKPXEIKWWHGCO-UPHRSURJSA-N 1 2 233.296 1.801 20 0 BDADLO CCc1nnc(C[NH+]2CCC(CF)CC2)[nH]1 ZINC000451397023 388269667 /nfs/dbraw/zinc/26/96/67/388269667.db2.gz UETJAXDXKYUMFK-UHFFFAOYSA-N 1 2 226.299 1.549 20 0 BDADLO CCC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000451441628 388274230 /nfs/dbraw/zinc/27/42/30/388274230.db2.gz SJAKHDSVBGMOGH-QMMMGPOBSA-N 1 2 226.324 1.815 20 0 BDADLO CCc1nc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)no1 ZINC000451489316 388277443 /nfs/dbraw/zinc/27/74/43/388277443.db2.gz HHMMXSYQICDZLI-DTWKUNHWSA-N 1 2 239.319 1.535 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC(F)(F)F ZINC000492293974 388340688 /nfs/dbraw/zinc/34/06/88/388340688.db2.gz ABUNGFSQDMLWOL-ARJAWSKDSA-N 1 2 247.220 1.595 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC1(C)CC1 ZINC000492413599 388343959 /nfs/dbraw/zinc/34/39/59/388343959.db2.gz XYGBHQYWMVVEFF-PLNGDYQASA-N 1 2 233.315 1.833 20 0 BDADLO COc1ccnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000646365087 388346074 /nfs/dbraw/zinc/34/60/74/388346074.db2.gz LTSCMSZYJKHAMM-MRVPVSSYSA-N 1 2 246.270 1.304 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ncn(C)n1 ZINC000278375398 388354863 /nfs/dbraw/zinc/35/48/63/388354863.db2.gz LBFKWGYDMPUIRD-ZJUUUORDSA-N 1 2 222.292 1.158 20 0 BDADLO CCCN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516582960 388358032 /nfs/dbraw/zinc/35/80/32/388358032.db2.gz XOPRGPAERJKYAT-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO CCCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516582960 388358033 /nfs/dbraw/zinc/35/80/33/388358033.db2.gz XOPRGPAERJKYAT-SNVBAGLBSA-N 1 2 223.320 1.847 20 0 BDADLO O=C(c1cccc(F)c1)N1CC(n2cc[nH+]c2)C1 ZINC000524418177 388358768 /nfs/dbraw/zinc/35/87/68/388358768.db2.gz LJYWUCGVTAQFOC-UHFFFAOYSA-N 1 2 245.257 1.719 20 0 BDADLO O=C(c1cccs1)N1CC(n2cc[nH+]c2)C1 ZINC000524421154 388359001 /nfs/dbraw/zinc/35/90/01/388359001.db2.gz QSWZXQGRZLNWHC-UHFFFAOYSA-N 1 2 233.296 1.642 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000086457301 388359222 /nfs/dbraw/zinc/35/92/22/388359222.db2.gz OYVGFCOIHOEYEO-JTQLQIEISA-N 1 2 231.336 1.685 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000086457301 388359223 /nfs/dbraw/zinc/35/92/23/388359223.db2.gz OYVGFCOIHOEYEO-JTQLQIEISA-N 1 2 231.336 1.685 20 0 BDADLO CC(C)Cn1nccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000648791532 388359680 /nfs/dbraw/zinc/35/96/80/388359680.db2.gz BSXLRWCKFSLALK-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO CC(C)Cn1nccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000648791532 388359681 /nfs/dbraw/zinc/35/96/81/388359681.db2.gz BSXLRWCKFSLALK-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@H](C)CO ZINC000235458620 388369221 /nfs/dbraw/zinc/36/92/21/388369221.db2.gz QQWJUXWEQQBPTR-PHDIDXHHSA-N 1 2 230.699 1.141 20 0 BDADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)[C@H](C)CO ZINC000235458620 388369223 /nfs/dbraw/zinc/36/92/23/388369223.db2.gz QQWJUXWEQQBPTR-PHDIDXHHSA-N 1 2 230.699 1.141 20 0 BDADLO Nc1[nH+]cnc(N2CCCCC2)c1Cl ZINC000227840298 388371666 /nfs/dbraw/zinc/37/16/66/388371666.db2.gz NFFBCUCYOQFFPC-UHFFFAOYSA-N 1 2 212.684 1.703 20 0 BDADLO Nc1nc[nH+]c(N2CCCCC2)c1Cl ZINC000227840298 388371669 /nfs/dbraw/zinc/37/16/69/388371669.db2.gz NFFBCUCYOQFFPC-UHFFFAOYSA-N 1 2 212.684 1.703 20 0 BDADLO CC(C)(NC(=O)[C@H]1CC1(F)F)c1[nH]cc[nH+]1 ZINC000572889551 388384233 /nfs/dbraw/zinc/38/42/33/388384233.db2.gz RPMCPXZRKZLOOI-ZCFIWIBFSA-N 1 2 229.230 1.416 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCO[C@@H]1C(C)C ZINC000572899642 388385900 /nfs/dbraw/zinc/38/59/00/388385900.db2.gz GDCBGWCLONAVTD-CHWSQXEVSA-N 1 2 249.358 1.988 20 0 BDADLO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)C[C@@H](C)O ZINC000236916866 388386466 /nfs/dbraw/zinc/38/64/66/388386466.db2.gz SZQFCAJKTIPRAI-MXWKQRLJSA-N 1 2 244.379 1.273 20 0 BDADLO CCO[C@H](CCNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000236939099 388386746 /nfs/dbraw/zinc/38/67/46/388386746.db2.gz SDVHYARANJHPJL-LLVKDONJSA-N 1 2 244.379 1.539 20 0 BDADLO CCC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236940216 388387006 /nfs/dbraw/zinc/38/70/06/388387006.db2.gz ZVVGVXDMAFECPD-VXGBXAGGSA-N 1 2 224.348 1.777 20 0 BDADLO Cc1sccc1C[NH2+]CC(F)(F)CO ZINC000293386529 388388167 /nfs/dbraw/zinc/38/81/67/388388167.db2.gz WQEJKRYOIDYJDM-UHFFFAOYSA-N 1 2 221.272 1.774 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CC[C@H]1O ZINC000252003677 388390377 /nfs/dbraw/zinc/39/03/77/388390377.db2.gz ZDGNSBBMZKRIBH-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC[C@H]1O ZINC000252003677 388390379 /nfs/dbraw/zinc/39/03/79/388390379.db2.gz ZDGNSBBMZKRIBH-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/C1CCC1 ZINC000492066811 388333452 /nfs/dbraw/zinc/33/34/52/388333452.db2.gz KDYCXNVKVIOWFO-AATRIKPKSA-N 1 2 219.288 1.393 20 0 BDADLO O=C(/C=C/C1CCC1)NCc1[nH]cc[nH+]1 ZINC000492069210 388333580 /nfs/dbraw/zinc/33/35/80/388333580.db2.gz REJACNJWJRDKQL-SNAWJCMRSA-N 1 2 205.261 1.382 20 0 BDADLO O=C(C=CC1CCC1)NCc1[nH]cc[nH+]1 ZINC000492069210 388333581 /nfs/dbraw/zinc/33/35/81/388333581.db2.gz REJACNJWJRDKQL-SNAWJCMRSA-N 1 2 205.261 1.382 20 0 BDADLO O=C(/C=C\C1CCC1)NCCc1[nH]cc[nH+]1 ZINC000492096637 388335051 /nfs/dbraw/zinc/33/50/51/388335051.db2.gz QYQDKRHGYAYUEB-PLNGDYQASA-N 1 2 219.288 1.425 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCc1ccco1 ZINC000492254227 388339315 /nfs/dbraw/zinc/33/93/15/388339315.db2.gz VUIOMBBFGVEMGD-WAYWQWQTSA-N 1 2 245.282 1.826 20 0 BDADLO CC[N@H+](CCOC)Cc1cscn1 ZINC000299195774 388440444 /nfs/dbraw/zinc/44/04/44/388440444.db2.gz JBAXLCWHIGZLLY-UHFFFAOYSA-N 1 2 200.307 1.611 20 0 BDADLO CC[N@@H+](CCOC)Cc1cscn1 ZINC000299195774 388440447 /nfs/dbraw/zinc/44/04/47/388440447.db2.gz JBAXLCWHIGZLLY-UHFFFAOYSA-N 1 2 200.307 1.611 20 0 BDADLO CO[C@@H](C)c1noc(C[NH+]2CCCCC2)n1 ZINC000175071026 388440584 /nfs/dbraw/zinc/44/05/84/388440584.db2.gz FBXURPKHEWDTAB-VIFPVBQESA-N 1 2 225.292 1.763 20 0 BDADLO CC1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000573297145 388440794 /nfs/dbraw/zinc/44/07/94/388440794.db2.gz PMKVYLMDZXXLPD-UHFFFAOYSA-N 1 2 235.331 1.826 20 0 BDADLO FC1(C[NH2+]Cc2nnnn2-c2ccccc2)CC1 ZINC000525985643 388450692 /nfs/dbraw/zinc/45/06/92/388450692.db2.gz RHVGCXYTMHRQRN-UHFFFAOYSA-N 1 2 247.277 1.254 20 0 BDADLO CCCN1CCC[N@H+](CC2(F)CC2)CC1=O ZINC000525995891 388452533 /nfs/dbraw/zinc/45/25/33/388452533.db2.gz HNXZSBPZYRTEAA-UHFFFAOYSA-N 1 2 228.311 1.433 20 0 BDADLO CCCN1CCC[N@@H+](CC2(F)CC2)CC1=O ZINC000525995891 388452535 /nfs/dbraw/zinc/45/25/35/388452535.db2.gz HNXZSBPZYRTEAA-UHFFFAOYSA-N 1 2 228.311 1.433 20 0 BDADLO CSCCN(C)c1[nH+]cnc2c1cnn2C ZINC000176520202 388454541 /nfs/dbraw/zinc/45/45/41/388454541.db2.gz CWMOUAGMCRKLMZ-UHFFFAOYSA-N 1 2 237.332 1.163 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000526003360 388454606 /nfs/dbraw/zinc/45/46/06/388454606.db2.gz PMPMOWFXJTXFDH-ZJUUUORDSA-N 1 2 249.314 1.074 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000336724989 388470214 /nfs/dbraw/zinc/47/02/14/388470214.db2.gz BMGGWKOXFOFXSE-RGOKHQFPSA-N 1 2 229.320 1.197 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000336893903 388472275 /nfs/dbraw/zinc/47/22/75/388472275.db2.gz LFDJKLXOZZNMRC-IUCAKERBSA-N 1 2 215.293 1.095 20 0 BDADLO COCCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000524746166 388407196 /nfs/dbraw/zinc/40/71/96/388407196.db2.gz FGAAFWAMBUBWJD-UHFFFAOYSA-N 1 2 247.298 1.857 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000295922141 388415452 /nfs/dbraw/zinc/41/54/52/388415452.db2.gz AFOHXZZDTFKQRV-SECBINFHSA-N 1 2 241.360 1.408 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](CC(C)C)OC)C(C)C ZINC000573096123 388419668 /nfs/dbraw/zinc/41/96/68/388419668.db2.gz AZCLNEIJIUSWHD-NWDGAFQWSA-N 1 2 245.363 1.835 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573107590 388421065 /nfs/dbraw/zinc/42/10/65/388421065.db2.gz YZGIKILMZUHLAK-BDAKNGLRSA-N 1 2 225.292 1.402 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307943089 388428724 /nfs/dbraw/zinc/42/87/24/388428724.db2.gz REZJKOWUOLYMPL-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000336893253 388439291 /nfs/dbraw/zinc/43/92/91/388439291.db2.gz KNFXRAUCNCGTTC-NXEZZACHSA-N 1 2 227.304 1.095 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CCSCC1 ZINC000353119570 388541678 /nfs/dbraw/zinc/54/16/78/388541678.db2.gz ZNPRWXLDZSONKV-UHFFFAOYSA-N 1 2 239.344 1.511 20 0 BDADLO C/C(Cl)=C\CN1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000528522342 388541881 /nfs/dbraw/zinc/54/18/81/388541881.db2.gz QESFWAYDSUWBBS-WSAUGYEQSA-N 1 2 230.739 1.144 20 0 BDADLO C/C(Cl)=C\CN1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000528522342 388541883 /nfs/dbraw/zinc/54/18/83/388541883.db2.gz QESFWAYDSUWBBS-WSAUGYEQSA-N 1 2 230.739 1.144 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000548492859 388544412 /nfs/dbraw/zinc/54/44/12/388544412.db2.gz QAKRMCOXFKIPGV-JSGCOSHPSA-N 1 2 249.358 1.761 20 0 BDADLO CC(C)SCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000517362593 388547604 /nfs/dbraw/zinc/54/76/04/388547604.db2.gz VTMNPLZEOWACDP-SNVBAGLBSA-N 1 2 241.360 1.529 20 0 BDADLO COCCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000528576981 388547989 /nfs/dbraw/zinc/54/79/89/388547989.db2.gz IPQCSRNGYWFWMD-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO COCCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000528576981 388547992 /nfs/dbraw/zinc/54/79/92/388547992.db2.gz IPQCSRNGYWFWMD-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO COCCC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000528576981 388547994 /nfs/dbraw/zinc/54/79/94/388547994.db2.gz IPQCSRNGYWFWMD-UHFFFAOYSA-N 1 2 224.308 1.053 20 0 BDADLO Cc1n[nH]c(C)c1C[NH2+]CC(C)(F)F ZINC000378679180 388482078 /nfs/dbraw/zinc/48/20/78/388482078.db2.gz TVJXRXCFLQBSKH-UHFFFAOYSA-N 1 2 203.236 1.771 20 0 BDADLO CC1=C(C(=O)NCCc2c[nH+]cn2C)CCC1 ZINC000547805656 388485114 /nfs/dbraw/zinc/48/51/14/388485114.db2.gz YKPGFUKFUKYZML-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cnoc2C)CCO1 ZINC000135700642 388506411 /nfs/dbraw/zinc/50/64/11/388506411.db2.gz CTWRZVFIIGJMAE-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cnoc2C)CCO1 ZINC000135700642 388506412 /nfs/dbraw/zinc/50/64/12/388506412.db2.gz CTWRZVFIIGJMAE-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](C)c2nncn2C)nc1 ZINC000345097285 388510915 /nfs/dbraw/zinc/51/09/15/388510915.db2.gz LJBCDMORIPVDRQ-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000648952341 388514451 /nfs/dbraw/zinc/51/44/51/388514451.db2.gz RJXQRJNYVBHCII-RYUDHWBXSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1ccncc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000516975830 256809596 /nfs/dbraw/zinc/80/95/96/256809596.db2.gz IZHZWSDXDRFRTO-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)C(F)(F)F ZINC000548132060 388515312 /nfs/dbraw/zinc/51/53/12/388515312.db2.gz XURLMABMMQFCNZ-SSDOTTSWSA-N 1 2 249.236 1.277 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)c2ccccc21 ZINC000398040522 388515822 /nfs/dbraw/zinc/51/58/22/388515822.db2.gz PTEZVIWHSVBUBR-SKDRFNHKSA-N 1 2 243.314 1.548 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000078892321 388516677 /nfs/dbraw/zinc/51/66/77/388516677.db2.gz QDLHYEZBRBISPP-GHMZBOCLSA-N 1 2 220.272 1.754 20 0 BDADLO C[N@H+](Cc1ncccc1Cl)[C@@H]1CCOC1 ZINC000528380102 388517641 /nfs/dbraw/zinc/51/76/41/388517641.db2.gz NMFXIEMJOPDLKF-SECBINFHSA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1ncccc1Cl)[C@@H]1CCOC1 ZINC000528380102 388517642 /nfs/dbraw/zinc/51/76/42/388517642.db2.gz NMFXIEMJOPDLKF-SECBINFHSA-N 1 2 226.707 1.956 20 0 BDADLO c1nnc([C@@H]([NH2+][C@@H]2CCOC2)c2ccccc2)[nH]1 ZINC000548176323 388519519 /nfs/dbraw/zinc/51/95/19/388519519.db2.gz XXXSLPKIHCZHSP-NEPJUHHUSA-N 1 2 244.298 1.273 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548258065 388523041 /nfs/dbraw/zinc/52/30/41/388523041.db2.gz RKMUYVVZYIEMDN-NXEZZACHSA-N 1 2 223.320 1.513 20 0 BDADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)CC1(O)CCC1 ZINC000528432212 388524612 /nfs/dbraw/zinc/52/46/12/388524612.db2.gz PEEDBAHZASQMJA-LLVKDONJSA-N 1 2 229.295 1.212 20 0 BDADLO O[C@@H](C[N@H+]1CCC=C(F)C1)CC1(O)CCC1 ZINC000528432212 388524615 /nfs/dbraw/zinc/52/46/15/388524615.db2.gz PEEDBAHZASQMJA-LLVKDONJSA-N 1 2 229.295 1.212 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000516924200 388524678 /nfs/dbraw/zinc/52/46/78/388524678.db2.gz HQCRBKCCQOZBHA-GXSJLCMTSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)no1 ZINC000516924200 388524682 /nfs/dbraw/zinc/52/46/82/388524682.db2.gz HQCRBKCCQOZBHA-GXSJLCMTSA-N 1 2 239.319 1.938 20 0 BDADLO C/C(Cl)=C/C[NH2+][C@@H](C)c1nncn1C ZINC000528442642 388526354 /nfs/dbraw/zinc/52/63/54/388526354.db2.gz FEDOGUUSHNLOGW-NZGHECTNSA-N 1 2 214.700 1.608 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)s1)C1CC(O)C1 ZINC000528450959 388527511 /nfs/dbraw/zinc/52/75/11/388527511.db2.gz RLLJMQRUBGZIRJ-UHFFFAOYSA-N 1 2 239.344 1.371 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)s1)C1CC(O)C1 ZINC000528450959 388527513 /nfs/dbraw/zinc/52/75/13/388527513.db2.gz RLLJMQRUBGZIRJ-UHFFFAOYSA-N 1 2 239.344 1.371 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cn[nH]c1 ZINC000528445464 388528034 /nfs/dbraw/zinc/52/80/34/388528034.db2.gz FIKZGTPALBPHPY-SSDOTTSWSA-N 1 2 249.343 1.989 20 0 BDADLO CCCC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000349933324 388529177 /nfs/dbraw/zinc/52/91/77/388529177.db2.gz HXJWKTNGLDRAJX-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CCOC2)[nH+]1 ZINC000516975974 388529948 /nfs/dbraw/zinc/52/99/48/388529948.db2.gz PWULTENZDKOIKY-SECBINFHSA-N 1 2 237.303 1.106 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528467706 388530985 /nfs/dbraw/zinc/53/09/85/388530985.db2.gz YRCDEOAKBONWOT-ZPFDUUQYSA-N 1 2 248.326 1.810 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000528472673 388531685 /nfs/dbraw/zinc/53/16/85/388531685.db2.gz FBXRTLSZYITCGI-XCWSKSJASA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000528472673 388531687 /nfs/dbraw/zinc/53/16/87/388531687.db2.gz FBXRTLSZYITCGI-XCWSKSJASA-N 1 2 235.780 1.972 20 0 BDADLO COc1cccc([C@@H](C)[N@@H+]2CCNC(=O)C2)c1 ZINC000079385230 388532116 /nfs/dbraw/zinc/53/21/16/388532116.db2.gz KSOPASLIYNOOCN-SNVBAGLBSA-N 1 2 234.299 1.188 20 0 BDADLO COc1cccc([C@@H](C)[N@H+]2CCNC(=O)C2)c1 ZINC000079385230 388532119 /nfs/dbraw/zinc/53/21/19/388532119.db2.gz KSOPASLIYNOOCN-SNVBAGLBSA-N 1 2 234.299 1.188 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000528480416 388532922 /nfs/dbraw/zinc/53/29/22/388532922.db2.gz ZPOBCXPAAVFVGN-YLDHAUNBSA-N 1 2 235.780 1.970 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000528480416 388532923 /nfs/dbraw/zinc/53/29/23/388532923.db2.gz ZPOBCXPAAVFVGN-YLDHAUNBSA-N 1 2 235.780 1.970 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000528485239 388533463 /nfs/dbraw/zinc/53/34/63/388533463.db2.gz BFKLFXLZLWVQRJ-SGDMMICCSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000528485239 388533467 /nfs/dbraw/zinc/53/34/67/388533467.db2.gz BFKLFXLZLWVQRJ-SGDMMICCSA-N 1 2 216.712 1.292 20 0 BDADLO C[C@@H](CC(=O)N1CCC[C@@H]1C)n1cc[nH+]c1 ZINC000517034186 388534612 /nfs/dbraw/zinc/53/46/12/388534612.db2.gz UYTMXDNGQWPVNN-QWRGUYRKSA-N 1 2 221.304 1.845 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)CC(F)F ZINC000648961156 388587223 /nfs/dbraw/zinc/58/72/23/388587223.db2.gz WXAWDAWFLJXUSX-SSDOTTSWSA-N 1 2 245.273 1.668 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)CC(F)F ZINC000648961156 388587226 /nfs/dbraw/zinc/58/72/26/388587226.db2.gz WXAWDAWFLJXUSX-SSDOTTSWSA-N 1 2 245.273 1.668 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC(Cc2ccco2)C1 ZINC000529860839 388593005 /nfs/dbraw/zinc/59/30/05/388593005.db2.gz IZJUGCFRZHUCPJ-UHFFFAOYSA-N 1 2 245.282 1.177 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(F)c1O ZINC000530006079 388604256 /nfs/dbraw/zinc/60/42/56/388604256.db2.gz NRJZRKZIPUVHQQ-SNVBAGLBSA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(F)c1O ZINC000530006079 388604257 /nfs/dbraw/zinc/60/42/57/388604257.db2.gz NRJZRKZIPUVHQQ-SNVBAGLBSA-N 1 2 238.262 1.564 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@@H]1CCCC[C@H]1O ZINC000246048082 388614559 /nfs/dbraw/zinc/61/45/59/388614559.db2.gz XSVPDAJZWCNHAF-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@@H]1CCCC[C@H]1O ZINC000246048082 388614562 /nfs/dbraw/zinc/61/45/62/388614562.db2.gz XSVPDAJZWCNHAF-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)nc1C ZINC000187064741 256868558 /nfs/dbraw/zinc/86/85/58/256868558.db2.gz MJPVFRLDOXLTKA-CYBMUJFWSA-N 1 2 247.342 1.409 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)nc1C ZINC000187064741 256868562 /nfs/dbraw/zinc/86/85/62/256868562.db2.gz MJPVFRLDOXLTKA-CYBMUJFWSA-N 1 2 247.342 1.409 20 0 BDADLO Cn1ncnc1C[N@H+](C)CCc1ccccc1 ZINC000080752423 388561194 /nfs/dbraw/zinc/56/11/94/388561194.db2.gz BEDQGLZHRJOLCP-UHFFFAOYSA-N 1 2 230.315 1.490 20 0 BDADLO Cn1ncnc1C[N@@H+](C)CCc1ccccc1 ZINC000080752423 388561196 /nfs/dbraw/zinc/56/11/96/388561196.db2.gz BEDQGLZHRJOLCP-UHFFFAOYSA-N 1 2 230.315 1.490 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c(C)c[nH+]1 ZINC000548762790 388562180 /nfs/dbraw/zinc/56/21/80/388562180.db2.gz XCBUUWRPTKBCND-LJUAHTATSA-N 1 2 248.326 1.872 20 0 BDADLO COC[C@H]1CCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548813917 388563201 /nfs/dbraw/zinc/56/32/01/388563201.db2.gz XIKUDIZCJVLTMX-ZJUUUORDSA-N 1 2 249.314 1.077 20 0 BDADLO Nc1[nH+]cnc(N2CC[C@@H](C3CC3)C2)c1Cl ZINC000365051147 388563947 /nfs/dbraw/zinc/56/39/47/388563947.db2.gz GDABTCMYYHJHEM-MRVPVSSYSA-N 1 2 238.722 1.949 20 0 BDADLO Nc1nc[nH+]c(N2CC[C@@H](C3CC3)C2)c1Cl ZINC000365051147 388563949 /nfs/dbraw/zinc/56/39/49/388563949.db2.gz GDABTCMYYHJHEM-MRVPVSSYSA-N 1 2 238.722 1.949 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C2CC2)c1 ZINC000528740430 388565130 /nfs/dbraw/zinc/56/51/30/388565130.db2.gz FUZOIDOFGWJLTP-UHFFFAOYSA-N 1 2 245.286 1.180 20 0 BDADLO CN(C(=O)N1CC(n2cc[nH+]c2)C1)C1CCCC1 ZINC000548992187 388570399 /nfs/dbraw/zinc/57/03/99/388570399.db2.gz DEYPWFFBBRPZPN-UHFFFAOYSA-N 1 2 248.330 1.734 20 0 BDADLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2ccon2)n[nH]1 ZINC000528790207 388573758 /nfs/dbraw/zinc/57/37/58/388573758.db2.gz VJBMDCCUTOZPNS-LLVKDONJSA-N 1 2 246.270 1.507 20 0 BDADLO O=c1ccc([C@H]2CCC[N@H+]2Cc2ccon2)n[nH]1 ZINC000528790207 388573760 /nfs/dbraw/zinc/57/37/60/388573760.db2.gz VJBMDCCUTOZPNS-LLVKDONJSA-N 1 2 246.270 1.507 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000184440163 388577971 /nfs/dbraw/zinc/57/79/71/388577971.db2.gz ZQKYELSFNACZJH-QWRGUYRKSA-N 1 2 221.304 1.648 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000184440163 388577973 /nfs/dbraw/zinc/57/79/73/388577973.db2.gz ZQKYELSFNACZJH-QWRGUYRKSA-N 1 2 221.304 1.648 20 0 BDADLO CNc1nc(NC2CC=CC2)[nH+]c2ccccc21 ZINC000649300547 388580503 /nfs/dbraw/zinc/58/05/03/388580503.db2.gz XDMOQBFJEGGDSB-UHFFFAOYSA-N 1 2 240.310 1.646 20 0 BDADLO C[C@@H]1[C@@H](C(=O)Nc2cc[nH+]cc2O)[C@H]1C1CC1 ZINC000528914101 388583077 /nfs/dbraw/zinc/58/30/77/388583077.db2.gz GLAACVJKPDSOCB-UPZJHPNMSA-N 1 2 232.283 1.440 20 0 BDADLO CN(C(=O)[C@H]([NH3+])c1cscn1)C1CCC1 ZINC000521993917 388672539 /nfs/dbraw/zinc/67/25/39/388672539.db2.gz CPCGQESLUXPTSY-SECBINFHSA-N 1 2 225.317 1.154 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]CC(F)(F)CN)C1(C)C ZINC000261597998 135237147 /nfs/dbraw/zinc/23/71/47/135237147.db2.gz ZHTJLDICDKZYLG-BDAKNGLRSA-N 1 2 236.306 1.374 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](C)[C@H]1C ZINC000248185758 388675675 /nfs/dbraw/zinc/67/56/75/388675675.db2.gz XIDHBYUMLBOPEZ-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000522058849 388677472 /nfs/dbraw/zinc/67/74/72/388677472.db2.gz GEQBOZIMJQTJLB-MNOVXSKESA-N 1 2 233.315 1.674 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H](C)C(C)C)c[nH+]1 ZINC000552189099 388678787 /nfs/dbraw/zinc/67/87/87/388678787.db2.gz KRBIFOUFXCOUOR-MRVPVSSYSA-N 1 2 236.319 1.106 20 0 BDADLO CCn1nccc1C[N@H+](CCO)CC1(F)CC1 ZINC000530279442 388647663 /nfs/dbraw/zinc/64/76/63/388647663.db2.gz XUFYTHHLVRYQPZ-UHFFFAOYSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1nccc1C[N@@H+](CCO)CC1(F)CC1 ZINC000530279442 388647666 /nfs/dbraw/zinc/64/76/66/388647666.db2.gz XUFYTHHLVRYQPZ-UHFFFAOYSA-N 1 2 241.310 1.199 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246904993 388654652 /nfs/dbraw/zinc/65/46/52/388654652.db2.gz RRZMVENAXICIPK-SRVKXCTJSA-N 1 2 249.358 1.996 20 0 BDADLO Cc1csc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n1 ZINC000552876018 388739576 /nfs/dbraw/zinc/73/95/76/388739576.db2.gz NBKKVAWNNOLUJQ-SECBINFHSA-N 1 2 239.344 1.730 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000552971027 388742527 /nfs/dbraw/zinc/74/25/27/388742527.db2.gz BVNXTAZKXPJFSE-LBPRGKRZSA-N 1 2 249.358 1.950 20 0 BDADLO CCCC[C@](C)(CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000649033856 388745435 /nfs/dbraw/zinc/74/54/35/388745435.db2.gz FUBJSUIEFJXZFF-GFCCVEGCSA-N 1 2 239.319 1.389 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)cn1 ZINC000248830214 388695275 /nfs/dbraw/zinc/69/52/75/388695275.db2.gz HDXRSNAXSFOKSU-YPMHNXCESA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)cn1 ZINC000248830214 388695278 /nfs/dbraw/zinc/69/52/78/388695278.db2.gz HDXRSNAXSFOKSU-YPMHNXCESA-N 1 2 235.331 1.983 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000195519072 388712896 /nfs/dbraw/zinc/71/28/96/388712896.db2.gz QRJGAEGBXGXTSG-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000195519072 388712899 /nfs/dbraw/zinc/71/28/99/388712899.db2.gz QRJGAEGBXGXTSG-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCN(C)C(=O)C2)cc1C ZINC000127303758 388719973 /nfs/dbraw/zinc/71/99/73/388719973.db2.gz ICNRDQSUJVUVFL-UHFFFAOYSA-N 1 2 246.354 1.886 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCN(C)C(=O)C2)cc1C ZINC000127303758 388719975 /nfs/dbraw/zinc/71/99/75/388719975.db2.gz ICNRDQSUJVUVFL-UHFFFAOYSA-N 1 2 246.354 1.886 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccs2)[C@@H](C(N)=O)C1 ZINC000249535939 388727302 /nfs/dbraw/zinc/72/73/02/388727302.db2.gz CLJWJVYZFIAIEL-RKDXNWHRSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccs2)[C@@H](C(N)=O)C1 ZINC000249535939 388727304 /nfs/dbraw/zinc/72/73/04/388727304.db2.gz CLJWJVYZFIAIEL-RKDXNWHRSA-N 1 2 239.344 1.229 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)no1 ZINC000249572438 388728986 /nfs/dbraw/zinc/72/89/86/388728986.db2.gz OQTGMAHCPVDWLC-SKDRFNHKSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)no1 ZINC000249572438 388728988 /nfs/dbraw/zinc/72/89/88/388728988.db2.gz OQTGMAHCPVDWLC-SKDRFNHKSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1cnc(NC(=O)NCc2[nH]cc[nH+]2)s1 ZINC000127752018 388730764 /nfs/dbraw/zinc/73/07/64/388730764.db2.gz KFCSWCGWOMDZEB-UHFFFAOYSA-N 1 2 237.288 1.496 20 0 BDADLO Cc1ncccc1C[NH+]1CCN(C2CC2)CC1 ZINC000127946746 388733724 /nfs/dbraw/zinc/73/37/24/388733724.db2.gz HONXXDBUPVPYTR-UHFFFAOYSA-N 1 2 231.343 1.670 20 0 BDADLO CCn1cc[nH+]c1CN1CCC(=O)[C@@H](C)C1 ZINC000229512479 388791805 /nfs/dbraw/zinc/79/18/05/388791805.db2.gz HLSFYVXUAUYSFT-JTQLQIEISA-N 1 2 221.304 1.314 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000229586695 388797070 /nfs/dbraw/zinc/79/70/70/388797070.db2.gz NQAMSLIYBZTURL-QMMMGPOBSA-N 1 2 227.333 1.272 20 0 BDADLO Cc1cc(NC(=O)c2c[nH]c(=O)cc2C)cc[nH+]1 ZINC000128940832 388805599 /nfs/dbraw/zinc/80/55/99/388805599.db2.gz YIXXICJQOZEKNE-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO CCC[C@H](O)CNc1nc[nH+]c(N)c1Cl ZINC000227849313 388759454 /nfs/dbraw/zinc/75/94/54/388759454.db2.gz XDBZXENLYBNILO-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO CCC[C@H](O)CNc1[nH+]cnc(N)c1Cl ZINC000227849313 388759457 /nfs/dbraw/zinc/75/94/57/388759457.db2.gz XDBZXENLYBNILO-LURJTMIESA-N 1 2 230.699 1.285 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000539561048 388764548 /nfs/dbraw/zinc/76/45/48/388764548.db2.gz XSAJCUPHVPWODX-GHMZBOCLSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cncs2)[C@@H](C(N)=O)C1 ZINC000250101759 388783002 /nfs/dbraw/zinc/78/30/02/388783002.db2.gz RNTCBDTYBBPKFC-WCBMZHEXSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cncs2)[C@@H](C(N)=O)C1 ZINC000250101759 388783007 /nfs/dbraw/zinc/78/30/07/388783007.db2.gz RNTCBDTYBBPKFC-WCBMZHEXSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H](F)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000555232077 388843609 /nfs/dbraw/zinc/84/36/09/388843609.db2.gz OWQDFOOYYRZVME-QMMMGPOBSA-N 1 2 234.278 1.624 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCc1ccccn1 ZINC000555228599 388844077 /nfs/dbraw/zinc/84/40/77/388844077.db2.gz ZPGHBIYPFUARDG-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1cccnc1 ZINC000554501453 388816092 /nfs/dbraw/zinc/81/60/92/388816092.db2.gz OUWWKPWNCIGYTQ-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO C[C@@H]1CCCCCN1C(=O)Cc1c[nH+]cn1C ZINC000554506268 388816864 /nfs/dbraw/zinc/81/68/64/388816864.db2.gz FPMASUCSMXNXRP-LLVKDONJSA-N 1 2 235.331 1.754 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000554512971 388818368 /nfs/dbraw/zinc/81/83/68/388818368.db2.gz DUIINCBVOQJQRQ-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000554513896 388818389 /nfs/dbraw/zinc/81/83/89/388818389.db2.gz OKDWAEYVNGBSSY-JTQLQIEISA-N 1 2 223.320 1.371 20 0 BDADLO CC(C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000554513903 388818755 /nfs/dbraw/zinc/81/87/55/388818755.db2.gz OKDWAEYVNGBSSY-SNVBAGLBSA-N 1 2 223.320 1.371 20 0 BDADLO Cc1nnc(C[NH2+][C@H](CO)c2ccccc2C)o1 ZINC000554636115 388825533 /nfs/dbraw/zinc/82/55/33/388825533.db2.gz PTIIEXZQLXKPEW-GFCCVEGCSA-N 1 2 247.298 1.510 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)[C@H](C)OC ZINC000393798185 388827786 /nfs/dbraw/zinc/82/77/86/388827786.db2.gz QNQYUPMZEOAGTD-OUAUKWLOSA-N 1 2 231.336 1.587 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000649122742 388840348 /nfs/dbraw/zinc/84/03/48/388840348.db2.gz DFZBACPKOWMVJH-OUAUKWLOSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000649122742 388840353 /nfs/dbraw/zinc/84/03/53/388840353.db2.gz DFZBACPKOWMVJH-OUAUKWLOSA-N 1 2 233.315 1.565 20 0 BDADLO CCC[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689434 388853008 /nfs/dbraw/zinc/85/30/08/388853008.db2.gz OJMQGUUPEOWKGY-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000541550930 388856658 /nfs/dbraw/zinc/85/66/58/388856658.db2.gz VDNWSSOINZCIQU-GDNZZTSVSA-N 1 2 233.315 1.125 20 0 BDADLO CCC[N@H+](CCCN1CCCC1=O)CC(F)F ZINC000523805362 388860774 /nfs/dbraw/zinc/86/07/74/388860774.db2.gz JJTVUVBUAVDXRY-UHFFFAOYSA-N 1 2 248.317 1.976 20 0 BDADLO CCC[N@@H+](CCCN1CCCC1=O)CC(F)F ZINC000523805362 388860777 /nfs/dbraw/zinc/86/07/77/388860777.db2.gz JJTVUVBUAVDXRY-UHFFFAOYSA-N 1 2 248.317 1.976 20 0 BDADLO Cc1oncc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000129645038 388861823 /nfs/dbraw/zinc/86/18/23/388861823.db2.gz QWHQNTWCSLMCCM-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1oncc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000129645038 388861825 /nfs/dbraw/zinc/86/18/25/388861825.db2.gz QWHQNTWCSLMCCM-LLVKDONJSA-N 1 2 247.302 1.449 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)n1cccc1 ZINC000523951967 388864004 /nfs/dbraw/zinc/86/40/04/388864004.db2.gz LRGSUNYVDLWXQZ-JTQLQIEISA-N 1 2 232.287 1.479 20 0 BDADLO Cc1oncc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000129679428 388865189 /nfs/dbraw/zinc/86/51/89/388865189.db2.gz DADSRJASSOVVRB-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1oncc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000129679428 388865191 /nfs/dbraw/zinc/86/51/91/388865191.db2.gz DADSRJASSOVVRB-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO CCN(Cc1[nH+]ccn1CC)CC(F)F ZINC000541762407 388867400 /nfs/dbraw/zinc/86/74/00/388867400.db2.gz ZPQZJSHHJNABRX-UHFFFAOYSA-N 1 2 217.263 1.990 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnoc2C)CCO1 ZINC000129477178 388846326 /nfs/dbraw/zinc/84/63/26/388846326.db2.gz LRHQMGVWYSDKJS-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnoc2C)CCO1 ZINC000129477178 388846333 /nfs/dbraw/zinc/84/63/33/388846333.db2.gz LRHQMGVWYSDKJS-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649167467 388886824 /nfs/dbraw/zinc/88/68/24/388886824.db2.gz SEWZIEQJMOFUOS-GARJFASQSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649167467 388886828 /nfs/dbraw/zinc/88/68/28/388886828.db2.gz SEWZIEQJMOFUOS-GARJFASQSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC1CC1 ZINC000630411462 388892559 /nfs/dbraw/zinc/89/25/59/388892559.db2.gz FUDDYSWTHNFMFI-UHFFFAOYSA-N 1 2 241.294 1.693 20 0 BDADLO CS[C@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000565106978 388914275 /nfs/dbraw/zinc/91/42/75/388914275.db2.gz ISKVAINZJNPFDO-MRVPVSSYSA-N 1 2 241.360 1.821 20 0 BDADLO C[C@H](C(=O)Nc1cncc(F)c1)[NH+]1CC(C)C1 ZINC000565202528 388924581 /nfs/dbraw/zinc/92/45/81/388924581.db2.gz BOCNPRCUBAIFAC-SECBINFHSA-N 1 2 237.278 1.499 20 0 BDADLO CS[C@H](C)CNc1nc(C)[nH+]cc1C ZINC000565230714 388929416 /nfs/dbraw/zinc/92/94/16/388929416.db2.gz UWRWKOPXVJMLTF-MRVPVSSYSA-N 1 2 211.334 1.679 20 0 BDADLO CCOC(=O)CCN(C)c1nc(C)[nH+]cc1C ZINC000565228549 388929649 /nfs/dbraw/zinc/92/96/49/388929649.db2.gz GSAWUYTYLATJDH-UHFFFAOYSA-N 1 2 237.303 1.483 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@@H](C)[S@@](C)=O ZINC000565229562 388929865 /nfs/dbraw/zinc/92/98/65/388929865.db2.gz SCPSGWLADUTYNR-JDNHERCYSA-N 1 2 241.360 1.084 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC(C)(C)C1CC1 ZINC000565514704 388949375 /nfs/dbraw/zinc/94/93/75/388949375.db2.gz JSFLVHVFPAXWIP-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO CCC1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000565874256 388975249 /nfs/dbraw/zinc/97/52/49/388975249.db2.gz AKFHCNQGMJTTCP-VIFPVBQESA-N 1 2 233.315 1.888 20 0 BDADLO CCC1(NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CC1 ZINC000565874256 388975251 /nfs/dbraw/zinc/97/52/51/388975251.db2.gz AKFHCNQGMJTTCP-VIFPVBQESA-N 1 2 233.315 1.888 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCCCO1 ZINC000268048357 389002439 /nfs/dbraw/zinc/00/24/39/389002439.db2.gz UCUILOQVULUQHM-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000566048117 388984427 /nfs/dbraw/zinc/98/44/27/388984427.db2.gz FESMTRQVDBNZMB-NEPJUHHUSA-N 1 2 248.330 1.054 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000566048117 388984430 /nfs/dbraw/zinc/98/44/30/388984430.db2.gz FESMTRQVDBNZMB-NEPJUHHUSA-N 1 2 248.330 1.054 20 0 BDADLO CCC(C)(C)[C@@H](C)NCC(F)(F)C[NH3+] ZINC000566092382 388987557 /nfs/dbraw/zinc/98/75/57/388987557.db2.gz SNAOYOBQVVFWLZ-MRVPVSSYSA-N 1 2 208.296 1.995 20 0 BDADLO CCN(C)C(=O)NCCNc1cccc[nH+]1 ZINC000264878486 388992449 /nfs/dbraw/zinc/99/24/49/388992449.db2.gz QNQZQUYXVFCCTJ-UHFFFAOYSA-N 1 2 222.292 1.155 20 0 BDADLO CCO[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301222607 132251608 /nfs/dbraw/zinc/25/16/08/132251608.db2.gz BLQUUAPKZXXTBM-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCC(C)C ZINC000266986237 388998239 /nfs/dbraw/zinc/99/82/39/388998239.db2.gz SJHQCOZLCPCGPF-UHFFFAOYSA-N 1 2 209.293 1.771 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000270743609 389013755 /nfs/dbraw/zinc/01/37/55/389013755.db2.gz IQQUHYJWZKQSSF-NSHDSACASA-N 1 2 244.298 1.298 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@@H]1O ZINC000270896862 389014988 /nfs/dbraw/zinc/01/49/88/389014988.db2.gz MAOGYAPMBWNWSH-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@@H]1O ZINC000270896862 389014991 /nfs/dbraw/zinc/01/49/91/389014991.db2.gz MAOGYAPMBWNWSH-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H](NCc1ncccc1F)c1[nH+]ccn1C ZINC000530477279 322815006 /nfs/dbraw/zinc/81/50/06/322815006.db2.gz YDUPNRVJXQMISO-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000335398877 136093585 /nfs/dbraw/zinc/09/35/85/136093585.db2.gz LPUSDYUZPZCRGO-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000335398877 136093586 /nfs/dbraw/zinc/09/35/86/136093586.db2.gz LPUSDYUZPZCRGO-MRVPVSSYSA-N 1 2 200.282 1.995 20 0 BDADLO CCN(C)C(=O)CSc1[nH+]cc2ccccn21 ZINC000298455568 169678012 /nfs/dbraw/zinc/67/80/12/169678012.db2.gz ZULBETPOZSLHPV-UHFFFAOYSA-N 1 2 249.339 1.905 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cc(C)no1)C1CC1 ZINC000507263665 533334906 /nfs/dbraw/zinc/33/49/06/533334906.db2.gz MPKDZYQELXXPHG-LLVKDONJSA-N 1 2 238.287 1.067 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1C[C@@H]1C ZINC000488327355 533324994 /nfs/dbraw/zinc/32/49/94/533324994.db2.gz HCWMRLJBZFJPGX-DTWKUNHWSA-N 1 2 207.264 1.856 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1C[C@@H]1C ZINC000488327355 533324997 /nfs/dbraw/zinc/32/49/97/533324997.db2.gz HCWMRLJBZFJPGX-DTWKUNHWSA-N 1 2 207.264 1.856 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C\c1ccncc1 ZINC000495074393 533478356 /nfs/dbraw/zinc/47/83/56/533478356.db2.gz MHDZLVMAONZCED-ARJAWSKDSA-N 1 2 220.272 1.200 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C\c1ccncc1 ZINC000495074393 533478359 /nfs/dbraw/zinc/47/83/59/533478359.db2.gz MHDZLVMAONZCED-ARJAWSKDSA-N 1 2 220.272 1.200 20 0 BDADLO CO[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1OC ZINC000487097074 533483753 /nfs/dbraw/zinc/48/37/53/533483753.db2.gz AUGRIDKVMLKKIE-GHMZBOCLSA-N 1 2 249.314 1.204 20 0 BDADLO CSC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493069644 533484878 /nfs/dbraw/zinc/48/48/78/533484878.db2.gz ILPYUUYRQCCNFK-NSCUHMNNSA-N 1 2 237.328 1.435 20 0 BDADLO C[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1CO ZINC000493468640 533636852 /nfs/dbraw/zinc/63/68/52/533636852.db2.gz RDFMQNMNHFTFHB-ZHLVKLTDSA-N 1 2 249.314 1.042 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccnn1C ZINC000530524133 322826177 /nfs/dbraw/zinc/82/61/77/322826177.db2.gz FRSXIOAXZHQYON-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000487894280 533647132 /nfs/dbraw/zinc/64/71/32/533647132.db2.gz GXFFRAOGSXNMCQ-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000487894280 533647136 /nfs/dbraw/zinc/64/71/36/533647136.db2.gz GXFFRAOGSXNMCQ-QMMMGPOBSA-N 1 2 230.262 1.385 20 0 BDADLO O[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000258740942 132177452 /nfs/dbraw/zinc/17/74/52/132177452.db2.gz NUCNYIXVYMSPNR-NSHDSACASA-N 1 2 248.330 1.038 20 0 BDADLO O[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000258740942 132177455 /nfs/dbraw/zinc/17/74/55/132177455.db2.gz NUCNYIXVYMSPNR-NSHDSACASA-N 1 2 248.330 1.038 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000264689273 132179696 /nfs/dbraw/zinc/17/96/96/132179696.db2.gz YUDLMJCYUHQSAG-VIFPVBQESA-N 1 2 219.288 1.579 20 0 BDADLO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000266125914 132184657 /nfs/dbraw/zinc/18/46/57/132184657.db2.gz NKZIDAHLGNODAS-DTORHVGOSA-N 1 2 207.277 1.399 20 0 BDADLO CC1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000276264935 132206485 /nfs/dbraw/zinc/20/64/85/132206485.db2.gz NIQXANJZUOGUNU-UHFFFAOYSA-N 1 2 246.318 1.182 20 0 BDADLO Nc1[nH+]cnc(N2CCC=C(F)C2)c1Cl ZINC000278734162 132208122 /nfs/dbraw/zinc/20/81/22/132208122.db2.gz LBSUTXDGYOIEBO-UHFFFAOYSA-N 1 2 228.658 1.776 20 0 BDADLO Cc1nc(N2CCC[C@@](F)(CO)C2)cc[nH+]1 ZINC000286273297 132214476 /nfs/dbraw/zinc/21/44/76/132214476.db2.gz DPYKGNCJNFSJFE-NSHDSACASA-N 1 2 225.267 1.086 20 0 BDADLO CCc1nc(N2CCO[C@H](C)[C@H]2C)cc(C)[nH+]1 ZINC000287672914 132216048 /nfs/dbraw/zinc/21/60/48/132216048.db2.gz BZZLUFVURCUXSV-GHMZBOCLSA-N 1 2 235.331 1.961 20 0 BDADLO C[C@@H]1[C@H](O)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000295090858 132220571 /nfs/dbraw/zinc/22/05/71/132220571.db2.gz ZDVFQZVDHJHYOQ-MWLCHTKSSA-N 1 2 233.315 1.704 20 0 BDADLO Cc1nc(N2CC[C@H](O)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000302377866 132224923 /nfs/dbraw/zinc/22/49/23/132224923.db2.gz GENWNVVZEIRGIQ-PELKAZGASA-N 1 2 235.331 1.609 20 0 BDADLO C[C@H]1C[C@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000341036946 132225882 /nfs/dbraw/zinc/22/58/82/132225882.db2.gz CLCVYVYDHYLBAX-WDEREUQCSA-N 1 2 247.342 1.951 20 0 BDADLO Cc1cc(N2CCC[C@H](CCC(N)=O)C2)nc[nH+]1 ZINC000301283015 132252797 /nfs/dbraw/zinc/25/27/97/132252797.db2.gz ULRISSCJOFLSET-LLVKDONJSA-N 1 2 248.330 1.267 20 0 BDADLO CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301392163 132253626 /nfs/dbraw/zinc/25/36/26/132253626.db2.gz BHPKEZFKQLCZIT-LLVKDONJSA-N 1 2 233.315 1.577 20 0 BDADLO Cc1nc(N2CCO[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301452977 132254227 /nfs/dbraw/zinc/25/42/27/132254227.db2.gz UWDOQVAGGSYBOT-MRVPVSSYSA-N 1 2 221.304 1.627 20 0 BDADLO Cc1nc(N2CCC(O)CC2)c2c([nH+]1)CCCC2 ZINC000301561881 132254864 /nfs/dbraw/zinc/25/48/64/132254864.db2.gz KOYAICDCYNQNGT-UHFFFAOYSA-N 1 2 247.342 1.625 20 0 BDADLO Cc1cc(N2CCO[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000301700139 132256161 /nfs/dbraw/zinc/25/61/61/132256161.db2.gz FKNPUDDRHOQGCS-ZJUUUORDSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1cc(N2CCC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000301793408 132257617 /nfs/dbraw/zinc/25/76/17/132257617.db2.gz SCPAQJOLSHKHPO-QWRGUYRKSA-N 1 2 221.304 1.382 20 0 BDADLO CCC1(CO)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000301877396 132258493 /nfs/dbraw/zinc/25/84/93/132258493.db2.gz HBSLZQQMOZDLNP-UHFFFAOYSA-N 1 2 235.331 1.774 20 0 BDADLO Cc1nc(N2CCOC(C)(C)C2)cc[nH+]1 ZINC000360217097 132278088 /nfs/dbraw/zinc/27/80/88/132278088.db2.gz CZMKKIABGDSYPP-UHFFFAOYSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1nc(N2CCC[C@H](n3cccn3)C2)cc[nH+]1 ZINC000360986782 132279413 /nfs/dbraw/zinc/27/94/13/132279413.db2.gz MIKWEBNXTFJTNS-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C)n2)C[C@@H](C)O1 ZINC000361026117 132279892 /nfs/dbraw/zinc/27/98/92/132279892.db2.gz RGZKUGUESYRDQP-KOLCDFICSA-N 1 2 221.304 1.789 20 0 BDADLO Cc1cc(N2CCO[C@H]3CCC[C@@H]32)nc[nH+]1 ZINC000362373174 132281049 /nfs/dbraw/zinc/28/10/49/132281049.db2.gz HNOZRTSGSLROGA-QWRGUYRKSA-N 1 2 219.288 1.543 20 0 BDADLO Cc1nc(N2CCO[C@@H]3C[C@@H]32)c2c([nH+]1)CCCC2 ZINC000368305755 132283696 /nfs/dbraw/zinc/28/36/96/132283696.db2.gz ZKPPAJMMMHMFRM-QWHCGFSZSA-N 1 2 245.326 1.641 20 0 BDADLO C[C@@H]1COCCN1c1cccc(-n2cc[nH+]c2)n1 ZINC000370499194 132285058 /nfs/dbraw/zinc/28/50/58/132285058.db2.gz KYBLMJLTWVXGFZ-LLVKDONJSA-N 1 2 244.298 1.492 20 0 BDADLO CC(C)c1cc(N2CCC(=O)CC2)nc[nH+]1 ZINC000040766004 132296687 /nfs/dbraw/zinc/29/66/87/132296687.db2.gz WXVLYYVBQWFDPF-UHFFFAOYSA-N 1 2 219.288 1.769 20 0 BDADLO c1snnc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000344955937 133710193 /nfs/dbraw/zinc/71/01/93/133710193.db2.gz MFYBCOWDNPSYLL-UHFFFAOYSA-N 1 2 247.323 1.858 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1 ZINC000335504488 133869101 /nfs/dbraw/zinc/86/91/01/133869101.db2.gz UOAFYMJKJUIIBX-JTQLQIEISA-N 1 2 243.738 1.276 20 0 BDADLO C[N@H+](Cc1ccncc1Cl)[C@@H]1CCOC1 ZINC000335779535 133901727 /nfs/dbraw/zinc/90/17/27/133901727.db2.gz LLWYAKBIIWZQSB-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO C[N@@H+](Cc1ccncc1Cl)[C@@H]1CCOC1 ZINC000335779535 133901728 /nfs/dbraw/zinc/90/17/28/133901728.db2.gz LLWYAKBIIWZQSB-SNVBAGLBSA-N 1 2 226.707 1.956 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccco1 ZINC000335822593 133929103 /nfs/dbraw/zinc/92/91/03/133929103.db2.gz UPMBXFWKMUEJSV-QWHCGFSZSA-N 1 2 249.310 1.850 20 0 BDADLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccco1 ZINC000335822593 133929104 /nfs/dbraw/zinc/92/91/04/133929104.db2.gz UPMBXFWKMUEJSV-QWHCGFSZSA-N 1 2 249.310 1.850 20 0 BDADLO Cc1nc(N2C[C@@H](O)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000350701781 133957692 /nfs/dbraw/zinc/95/76/92/133957692.db2.gz PGLOYVVPUPSPKM-KOLCDFICSA-N 1 2 247.342 1.623 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cncc(F)c2)C1 ZINC000335925049 134008582 /nfs/dbraw/zinc/00/85/82/134008582.db2.gz DVJIBHXYCONGAZ-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000335925049 134008583 /nfs/dbraw/zinc/00/85/83/134008583.db2.gz DVJIBHXYCONGAZ-NSHDSACASA-N 1 2 228.242 1.127 20 0 BDADLO CCOC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351957061 134016650 /nfs/dbraw/zinc/01/66/50/134016650.db2.gz IZQYPNSAPFRQAF-CMPLNLGQSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351957061 134016651 /nfs/dbraw/zinc/01/66/51/134016651.db2.gz IZQYPNSAPFRQAF-CMPLNLGQSA-N 1 2 241.331 1.439 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cscn1 ZINC000335967497 134028632 /nfs/dbraw/zinc/02/86/32/134028632.db2.gz LMXJNFTWXDHMJB-ZETCQYMHSA-N 1 2 248.311 1.154 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cscn1 ZINC000335967497 134028633 /nfs/dbraw/zinc/02/86/33/134028633.db2.gz LMXJNFTWXDHMJB-ZETCQYMHSA-N 1 2 248.311 1.154 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000335982266 134038128 /nfs/dbraw/zinc/03/81/28/134038128.db2.gz RGBPYPAQLMVMPY-VHSXEESVSA-N 1 2 234.303 1.207 20 0 BDADLO FC1(F)COCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000335993754 134041596 /nfs/dbraw/zinc/04/15/96/134041596.db2.gz VTZQNFHFJXNVKU-JTQLQIEISA-N 1 2 235.274 1.523 20 0 BDADLO FC1(F)COCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000335993754 134041597 /nfs/dbraw/zinc/04/15/97/134041597.db2.gz VTZQNFHFJXNVKU-JTQLQIEISA-N 1 2 235.274 1.523 20 0 BDADLO CCc1cnc(CN2CCn3c[nH+]cc3C2)s1 ZINC000336010842 134050789 /nfs/dbraw/zinc/05/07/89/134050789.db2.gz MXGIEGGBLJCSRO-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO O=C([C@H]1C[C@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000336022551 134056010 /nfs/dbraw/zinc/05/60/10/134056010.db2.gz IGCGIGADBWIRKP-RYUDHWBXSA-N 1 2 231.299 1.271 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000336022365 134056119 /nfs/dbraw/zinc/05/61/19/134056119.db2.gz YRCMPGZRTFFGNX-VIFPVBQESA-N 1 2 242.282 1.092 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000336022365 134056120 /nfs/dbraw/zinc/05/61/20/134056120.db2.gz YRCMPGZRTFFGNX-VIFPVBQESA-N 1 2 242.282 1.092 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336024939 134056983 /nfs/dbraw/zinc/05/69/83/134056983.db2.gz NKNNLJDRCVNGTJ-ZJUUUORDSA-N 1 2 219.288 1.271 20 0 BDADLO CC1(C)C[N@H+](Cc2cnn[nH]2)CCS1 ZINC000336040186 134061532 /nfs/dbraw/zinc/06/15/32/134061532.db2.gz KOLRBOLLWSRPGK-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000336040186 134061533 /nfs/dbraw/zinc/06/15/33/134061533.db2.gz KOLRBOLLWSRPGK-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]nn2)CCS1 ZINC000336040186 134061534 /nfs/dbraw/zinc/06/15/34/134061534.db2.gz KOLRBOLLWSRPGK-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000336040186 134061535 /nfs/dbraw/zinc/06/15/35/134061535.db2.gz KOLRBOLLWSRPGK-UHFFFAOYSA-N 1 2 212.322 1.132 20 0 BDADLO Oc1cccc2c1C[C@@H]([NH2+]Cc1ccn[nH]1)C2 ZINC000336117860 134089137 /nfs/dbraw/zinc/08/91/37/134089137.db2.gz IFWKQVBHYOMKOG-NSHDSACASA-N 1 2 229.283 1.372 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000336119147 134089682 /nfs/dbraw/zinc/08/96/82/134089682.db2.gz FMQPUVTUPCJESJ-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000336119147 134089683 /nfs/dbraw/zinc/08/96/83/134089683.db2.gz FMQPUVTUPCJESJ-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1cc(C)c(NC(=O)N2CC[C@H](O)C2)c(C)[nH+]1 ZINC000336145030 134105068 /nfs/dbraw/zinc/10/50/68/134105068.db2.gz MVLHVVSSUGKSMO-NSHDSACASA-N 1 2 249.314 1.605 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)C[C@@H](C)O ZINC000352224167 134109919 /nfs/dbraw/zinc/10/99/19/134109919.db2.gz ZIALRLORPDQEIP-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)C[C@@H](C)O ZINC000352224167 134109920 /nfs/dbraw/zinc/10/99/20/134109920.db2.gz ZIALRLORPDQEIP-SSDOTTSWSA-N 1 2 215.322 1.049 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000336178631 134117340 /nfs/dbraw/zinc/11/73/40/134117340.db2.gz XPNUDRIESUOTIY-SECBINFHSA-N 1 2 247.323 1.759 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000336178631 134117341 /nfs/dbraw/zinc/11/73/41/134117341.db2.gz XPNUDRIESUOTIY-SECBINFHSA-N 1 2 247.323 1.759 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC2(CCCC2)CC1 ZINC000336188847 134122720 /nfs/dbraw/zinc/12/27/20/134122720.db2.gz FNUCXCIXCJYHJH-UHFFFAOYSA-N 1 2 220.320 1.961 20 0 BDADLO F[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000336189258 134122990 /nfs/dbraw/zinc/12/29/90/134122990.db2.gz JZLNBJQINHXXJA-SECBINFHSA-N 1 2 207.252 1.902 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccncc2F)[C@H](C)CO1 ZINC000336211668 134134570 /nfs/dbraw/zinc/13/45/70/134134570.db2.gz FDSQAWCWQJSQOG-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1Nc2ccccc2C(=O)N1C ZINC000179182796 134318136 /nfs/dbraw/zinc/31/81/36/134318136.db2.gz LTPXDFMZCXLGNU-GFCCVEGCSA-N 1 2 242.282 1.616 20 0 BDADLO COCc1nc(C[N@H+](C)CC2CCC2)no1 ZINC000182477674 134345331 /nfs/dbraw/zinc/34/53/31/134345331.db2.gz BTBVHDRILJKVAV-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@@H+](C)CC2CCC2)no1 ZINC000182477674 134345332 /nfs/dbraw/zinc/34/53/32/134345332.db2.gz BTBVHDRILJKVAV-UHFFFAOYSA-N 1 2 225.292 1.448 20 0 BDADLO COCc1nc(C[N@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000182553125 134346041 /nfs/dbraw/zinc/34/60/41/134346041.db2.gz QPJIJYVKIWVHIK-DTORHVGOSA-N 1 2 225.292 1.589 20 0 BDADLO COCc1nc(C[N@@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000182553125 134346042 /nfs/dbraw/zinc/34/60/42/134346042.db2.gz QPJIJYVKIWVHIK-DTORHVGOSA-N 1 2 225.292 1.589 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(F)c1 ZINC000224928181 134352312 /nfs/dbraw/zinc/35/23/12/134352312.db2.gz PQYXSSXMKLQFFI-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(F)c1 ZINC000224928181 134352313 /nfs/dbraw/zinc/35/23/13/134352313.db2.gz PQYXSSXMKLQFFI-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCCC(=O)OC)C(=O)OC ZINC000183664265 134355265 /nfs/dbraw/zinc/35/52/65/134355265.db2.gz UNYLRUYLGSHOAS-ONGXEEELSA-N 1 2 245.319 1.117 20 0 BDADLO CCOC(=O)CC[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000183657387 134355404 /nfs/dbraw/zinc/35/54/04/134355404.db2.gz AWYXYMQTANXGLP-ONGXEEELSA-N 1 2 245.319 1.117 20 0 BDADLO CC[C@@H]1C[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000227013661 134373801 /nfs/dbraw/zinc/37/38/01/134373801.db2.gz IRTLCUSDIKJGQO-APPZFPTMSA-N 1 2 217.276 1.574 20 0 BDADLO CO[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000227830013 134390199 /nfs/dbraw/zinc/39/01/99/134390199.db2.gz SLKZCNGEXJCDEY-ZJUUUORDSA-N 1 2 209.293 1.313 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)C1CC1 ZINC000227771054 134393749 /nfs/dbraw/zinc/39/37/49/134393749.db2.gz WHXWCNXINAMMKN-GMTAPVOTSA-N 1 2 241.331 1.341 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)SC)C1CC1 ZINC000227771445 134394206 /nfs/dbraw/zinc/39/42/06/134394206.db2.gz VEKVSGOQNHNGIX-CBAPKCEASA-N 1 2 217.334 1.279 20 0 BDADLO COc1ccc(C[NH2+]CC(F)F)cn1 ZINC000062070826 134394475 /nfs/dbraw/zinc/39/44/75/134394475.db2.gz MCOSMGALVQNOEO-UHFFFAOYSA-N 1 2 202.204 1.445 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000227935186 134399691 /nfs/dbraw/zinc/39/96/91/134399691.db2.gz TYVGGUSZVSXLGB-MRVPVSSYSA-N 1 2 217.334 1.423 20 0 BDADLO CCOC[C@@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)C ZINC000232350542 134551616 /nfs/dbraw/zinc/55/16/16/134551616.db2.gz ZUAYAEFISOAVFO-VXGBXAGGSA-N 1 2 243.347 1.589 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249375961 134837618 /nfs/dbraw/zinc/83/76/18/134837618.db2.gz PRGCZYUBVMQXDM-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249375961 134837619 /nfs/dbraw/zinc/83/76/19/134837619.db2.gz PRGCZYUBVMQXDM-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1nc(C[NH2+]Cc2cncn2C)cs1 ZINC000082394322 134962987 /nfs/dbraw/zinc/96/29/87/134962987.db2.gz KFHHDDVDHAOYLY-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070651173 135002527 /nfs/dbraw/zinc/00/25/27/135002527.db2.gz QHVJJCCXNTUVHE-SECBINFHSA-N 1 2 209.293 1.804 20 0 BDADLO Cc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651442 135003074 /nfs/dbraw/zinc/00/30/74/135003074.db2.gz IUXICRNQQROQIW-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO Cc1nc(C[NH2+][C@]2(C)CCO[C@H]2C)no1 ZINC000235451089 135046814 /nfs/dbraw/zinc/04/68/14/135046814.db2.gz QTTNXHIFZJVEHD-OIBJUYFYSA-N 1 2 211.265 1.035 20 0 BDADLO CCCCN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C ZINC000078544538 135129254 /nfs/dbraw/zinc/12/92/54/135129254.db2.gz IFYFLFREHGLVID-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)C[N@H+]1CCOC[C@H]1C ZINC000078544538 135129255 /nfs/dbraw/zinc/12/92/55/135129255.db2.gz IFYFLFREHGLVID-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCOC(=O)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000259415704 135142532 /nfs/dbraw/zinc/14/25/32/135142532.db2.gz MLYGHFWBNUACPS-SECBINFHSA-N 1 2 223.276 1.539 20 0 BDADLO C[C@@](CO)(C[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000342227297 135253716 /nfs/dbraw/zinc/25/37/16/135253716.db2.gz YJQQGLOPAZTZGJ-AWEZNQCLSA-N 1 2 245.326 1.450 20 0 BDADLO C[C@@H]([NH3+])CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000261888341 135260427 /nfs/dbraw/zinc/26/04/27/135260427.db2.gz SUTBMSGRDGWTLG-MRVPVSSYSA-N 1 2 245.286 1.148 20 0 BDADLO CCc1nc(C[N@H+](C)CC[C@@H]2CCCO2)no1 ZINC000342568295 135290047 /nfs/dbraw/zinc/29/00/47/135290047.db2.gz LENJPCUATFBWNJ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@@H+](C)CC[C@@H]2CCCO2)no1 ZINC000342568295 135290050 /nfs/dbraw/zinc/29/00/50/135290050.db2.gz LENJPCUATFBWNJ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@H](C(N)=O)c1ccccc1 ZINC000342634202 135298787 /nfs/dbraw/zinc/29/87/87/135298787.db2.gz IUBJHIZIYHGVRQ-ZDUSSCGKSA-N 1 2 244.294 1.938 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@H](C(N)=O)c1ccccc1 ZINC000342634202 135298789 /nfs/dbraw/zinc/29/87/89/135298789.db2.gz IUBJHIZIYHGVRQ-ZDUSSCGKSA-N 1 2 244.294 1.938 20 0 BDADLO COCc1cnc(C[N@H+](CCO)C(C)C)s1 ZINC000342682222 135304905 /nfs/dbraw/zinc/30/49/05/135304905.db2.gz NZFLQZCXAYYRFG-UHFFFAOYSA-N 1 2 244.360 1.492 20 0 BDADLO COCc1cnc(C[N@@H+](CCO)C(C)C)s1 ZINC000342682222 135304907 /nfs/dbraw/zinc/30/49/07/135304907.db2.gz NZFLQZCXAYYRFG-UHFFFAOYSA-N 1 2 244.360 1.492 20 0 BDADLO CCC[C@H]1CN(Cc2[nH+]cc(C)n2C)CCO1 ZINC000342797269 135320306 /nfs/dbraw/zinc/32/03/06/135320306.db2.gz OICZPYWMTSRNAV-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1c[nH+]c(CN(C)CCc2ccccn2)n1C ZINC000342800216 135320737 /nfs/dbraw/zinc/32/07/37/135320737.db2.gz PYKAGVGEJLADBW-UHFFFAOYSA-N 1 2 244.342 1.798 20 0 BDADLO Cc1c[nH+]c(CN2CCSC[C@@H]2C)n1C ZINC000342798027 135321184 /nfs/dbraw/zinc/32/11/84/135321184.db2.gz IIDSWQKIBHGUMM-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@@H]2C)n1C ZINC000342798027 135321186 /nfs/dbraw/zinc/32/11/86/135321186.db2.gz IIDSWQKIBHGUMM-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@@H]2C)n1C ZINC000342798027 135321188 /nfs/dbraw/zinc/32/11/88/135321188.db2.gz IIDSWQKIBHGUMM-JTQLQIEISA-N 1 2 225.361 1.666 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2ccncc2)n1C ZINC000342798229 135321349 /nfs/dbraw/zinc/32/13/49/135321349.db2.gz SWRMHSXNTGUPEE-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262901606 135323527 /nfs/dbraw/zinc/32/35/27/135323527.db2.gz DQKZIRSPLYKYIU-OPRDCNLKSA-N 1 2 246.301 1.679 20 0 BDADLO CN(CC1CCCC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263021629 135327571 /nfs/dbraw/zinc/32/75/71/135327571.db2.gz QYCVBBMYCLHQLA-JTQLQIEISA-N 1 2 246.301 1.632 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2cc[nH+]c(N)c2)[C@H]1C(=O)[O-] ZINC000263030358 135328647 /nfs/dbraw/zinc/32/86/47/135328647.db2.gz GWEKOTPHEOCZMR-BXKDBHETSA-N 1 2 249.314 1.349 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2cc[nH+]c(N)c2)[C@H]1C(=O)[O-] ZINC000263030358 135328649 /nfs/dbraw/zinc/32/86/49/135328649.db2.gz GWEKOTPHEOCZMR-BXKDBHETSA-N 1 2 249.314 1.349 20 0 BDADLO CN(CCC1CC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263085684 135332208 /nfs/dbraw/zinc/33/22/08/135332208.db2.gz XWHQOZBWWZTHDG-SECBINFHSA-N 1 2 232.274 1.242 20 0 BDADLO CN(Cc1ccon1)Cc1cccc2[nH+]ccn21 ZINC000342943310 135337492 /nfs/dbraw/zinc/33/74/92/135337492.db2.gz PQALVHRBESDRKG-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO CN(CC(C)(C)C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263295424 135345016 /nfs/dbraw/zinc/34/50/16/135345016.db2.gz WEUBSPKWHJVOJI-QMMMGPOBSA-N 1 2 234.290 1.488 20 0 BDADLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000343136714 135359773 /nfs/dbraw/zinc/35/97/73/135359773.db2.gz LURDPKPVHKTJJN-JQWIXIFHSA-N 1 2 249.314 1.005 20 0 BDADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000334341950 135364708 /nfs/dbraw/zinc/36/47/08/135364708.db2.gz PBZQBDRMUQKRMO-DTWKUNHWSA-N 1 2 247.298 1.147 20 0 BDADLO C[C@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000334341950 135364709 /nfs/dbraw/zinc/36/47/09/135364709.db2.gz PBZQBDRMUQKRMO-DTWKUNHWSA-N 1 2 247.298 1.147 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000334348955 135367981 /nfs/dbraw/zinc/36/79/81/135367981.db2.gz ZNJOZKWVGMBMHX-TXEJJXNPSA-N 1 2 221.304 1.266 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000334348955 135367982 /nfs/dbraw/zinc/36/79/82/135367982.db2.gz ZNJOZKWVGMBMHX-TXEJJXNPSA-N 1 2 221.304 1.266 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000334351021 135368559 /nfs/dbraw/zinc/36/85/59/135368559.db2.gz FXMFGBJPSRXZEL-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000334351021 135368560 /nfs/dbraw/zinc/36/85/60/135368560.db2.gz FXMFGBJPSRXZEL-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO C[N@H+]1CC[C@H]2CCN(C(=O)NCC3CC3)[C@H]2C1 ZINC000334357398 135370338 /nfs/dbraw/zinc/37/03/38/135370338.db2.gz PYPHUEMGSIJAAJ-RYUDHWBXSA-N 1 2 237.347 1.132 20 0 BDADLO CC(C)[C@H]1CN(Cc2cncs2)CCO1 ZINC000334357716 135370435 /nfs/dbraw/zinc/37/04/35/135370435.db2.gz QRGHLUABHMUHHP-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000334357716 135370436 /nfs/dbraw/zinc/37/04/36/135370436.db2.gz QRGHLUABHMUHHP-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000334357716 135370437 /nfs/dbraw/zinc/37/04/37/135370437.db2.gz QRGHLUABHMUHHP-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000334358732 135371289 /nfs/dbraw/zinc/37/12/89/135371289.db2.gz UBGYXBXOMUJDDV-GFCCVEGCSA-N 1 2 245.326 1.702 20 0 BDADLO CC[C@H]1CCCN1C(=O)NCc1[nH+]ccn1C ZINC000334369130 135373000 /nfs/dbraw/zinc/37/30/00/135373000.db2.gz MXCDBQTVLVISSE-JTQLQIEISA-N 1 2 236.319 1.504 20 0 BDADLO CCc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000334369036 135373215 /nfs/dbraw/zinc/37/32/15/135373215.db2.gz TYRXCVAKTFGVCF-UHFFFAOYSA-N 1 2 233.315 1.032 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+]CC(C)(C)O ZINC000334369424 135373314 /nfs/dbraw/zinc/37/33/14/135373314.db2.gz NHCRHUQWJWGQIN-UHFFFAOYSA-N 1 2 237.278 1.317 20 0 BDADLO Cn1cccc1C[N@@H+]1CCn2ccnc2C1 ZINC000334364046 135373479 /nfs/dbraw/zinc/37/34/79/135373479.db2.gz MISWUBATRGCAJH-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1cccc1C[N@H+]1CCn2ccnc2C1 ZINC000334364046 135373480 /nfs/dbraw/zinc/37/34/80/135373480.db2.gz MISWUBATRGCAJH-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@H]2CF)cn1 ZINC000334371377 135375757 /nfs/dbraw/zinc/37/57/57/135375757.db2.gz PSYSELXPWGPGMZ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@H]2CF)cn1 ZINC000334371377 135375758 /nfs/dbraw/zinc/37/57/58/135375758.db2.gz PSYSELXPWGPGMZ-NSHDSACASA-N 1 2 209.268 1.719 20 0 BDADLO CN(c1[nH+]c2cccc(F)c2n1C)[C@@H]1CCOC1 ZINC000334390085 135383570 /nfs/dbraw/zinc/38/35/70/135383570.db2.gz SOUMDIVJLCCAEG-SECBINFHSA-N 1 2 249.289 1.938 20 0 BDADLO CC1CC(NC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000334401989 135389973 /nfs/dbraw/zinc/38/99/73/135389973.db2.gz GZUBFHMKWGBGLV-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000334402997 135391044 /nfs/dbraw/zinc/39/10/44/135391044.db2.gz GGDUKCMCGCGCDP-SNVBAGLBSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000334402997 135391046 /nfs/dbraw/zinc/39/10/46/135391046.db2.gz GGDUKCMCGCGCDP-SNVBAGLBSA-N 1 2 246.232 1.667 20 0 BDADLO CCN(CC(C)(C)O)c1cc(C)[nH+]cn1 ZINC000078746382 135395162 /nfs/dbraw/zinc/39/51/62/135395162.db2.gz HGRZKHGODHYCTN-UHFFFAOYSA-N 1 2 209.293 1.382 20 0 BDADLO Cc1nc2[nH]ccc2c(N(CCO)CC2CC2)[nH+]1 ZINC000343237416 135458217 /nfs/dbraw/zinc/45/82/17/135458217.db2.gz KXVVXRDMLWZAEC-UHFFFAOYSA-N 1 2 246.314 1.475 20 0 BDADLO Cc1cc(NCC[C@@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000343825729 135701478 /nfs/dbraw/zinc/70/14/78/135701478.db2.gz KFYUXUYNBBDCEP-LLVKDONJSA-N 1 2 247.342 1.923 20 0 BDADLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCCC1 ZINC000334932346 135844667 /nfs/dbraw/zinc/84/46/67/135844667.db2.gz QASQIHWHRJHCEB-SECBINFHSA-N 1 2 247.289 1.037 20 0 BDADLO CCCCO[C@@H]1C[C@@H]([NH2+]CC(=O)OC)C1(C)C ZINC000347710931 136002680 /nfs/dbraw/zinc/00/26/80/136002680.db2.gz XXUCPRGAOSUTHT-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)c1nc(N(C)CC2CC2)nc(N(C)C)[nH+]1 ZINC000347872628 136016987 /nfs/dbraw/zinc/01/69/87/136016987.db2.gz YZAODYIFXJPDDN-UHFFFAOYSA-N 1 2 249.362 1.907 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N(C)CC2CC2)[nH+]1 ZINC000347872628 136016988 /nfs/dbraw/zinc/01/69/88/136016988.db2.gz YZAODYIFXJPDDN-UHFFFAOYSA-N 1 2 249.362 1.907 20 0 BDADLO Cc1c([C@@H](C)[NH2+]Cc2ncc(C)cn2)cnn1C ZINC000348011384 136021140 /nfs/dbraw/zinc/02/11/40/136021140.db2.gz QFWTWBLDSHJLQF-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335314953 136023974 /nfs/dbraw/zinc/02/39/74/136023974.db2.gz JQSKMCOOHWRWAK-NXEZZACHSA-N 1 2 221.304 1.599 20 0 BDADLO COC(=O)[C@]1([NH2+]CC2CCCCC2)CCOC1 ZINC000348121174 136032648 /nfs/dbraw/zinc/03/26/48/136032648.db2.gz BNEFTNASLPMZOW-ZDUSSCGKSA-N 1 2 241.331 1.488 20 0 BDADLO C[C@@]1(F)CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348129276 136038240 /nfs/dbraw/zinc/03/82/40/136038240.db2.gz RUCTYBQMRYNGHC-SNVBAGLBSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@]1(F)CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348129276 136038241 /nfs/dbraw/zinc/03/82/41/136038241.db2.gz RUCTYBQMRYNGHC-SNVBAGLBSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@](=O)CC2(C)C)O1 ZINC000348185231 136044695 /nfs/dbraw/zinc/04/46/95/136044695.db2.gz BBEISQBHYQCZII-UVWXRNBGSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@](=O)CC2(C)C)O1 ZINC000348185231 136044696 /nfs/dbraw/zinc/04/46/96/136044696.db2.gz BBEISQBHYQCZII-UVWXRNBGSA-N 1 2 245.388 1.397 20 0 BDADLO CC(C)=CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335323413 136051114 /nfs/dbraw/zinc/05/11/14/136051114.db2.gz SUTLMMJTJMITLZ-JTQLQIEISA-N 1 2 248.330 1.532 20 0 BDADLO CC(C)=CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335323413 136051115 /nfs/dbraw/zinc/05/11/15/136051115.db2.gz SUTLMMJTJMITLZ-JTQLQIEISA-N 1 2 248.330 1.532 20 0 BDADLO Cc1noc(C)c1CN1CCn2c[nH+]cc2C1 ZINC000335325267 136051253 /nfs/dbraw/zinc/05/12/53/136051253.db2.gz JFTXYJDXHQQTGI-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(C2CC2)nn1C ZINC000335349789 136068174 /nfs/dbraw/zinc/06/81/74/136068174.db2.gz LGPOMNXXBVPTCJ-RKDXNWHRSA-N 1 2 220.320 1.675 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1ccnn1C ZINC000348409939 136077578 /nfs/dbraw/zinc/07/75/78/136077578.db2.gz UWHJIBIDLJQKLH-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1ccnn1C ZINC000348409939 136077579 /nfs/dbraw/zinc/07/75/79/136077579.db2.gz UWHJIBIDLJQKLH-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1cnc([C@H](C)[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000335394019 136091847 /nfs/dbraw/zinc/09/18/47/136091847.db2.gz GFRHOGQUSZPGFS-QMMMGPOBSA-N 1 2 223.276 1.901 20 0 BDADLO Cc1csc(C[NH+]2CC(C)(C(N)=O)C2)n1 ZINC000335398778 136093372 /nfs/dbraw/zinc/09/33/72/136093372.db2.gz XTUJFCKWVDXSTQ-UHFFFAOYSA-N 1 2 225.317 1.809 20 0 BDADLO O=C(N[C@H]1C=CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547656 136096932 /nfs/dbraw/zinc/09/69/32/136096932.db2.gz JBJLZOPCPQBKNB-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO CC1(C)CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547072 136097109 /nfs/dbraw/zinc/09/71/09/136097109.db2.gz CSWONGRFAPKKNI-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335550450 136097603 /nfs/dbraw/zinc/09/76/03/136097603.db2.gz YXXJBBOYFWCPEP-SNVBAGLBSA-N 1 2 233.315 1.362 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccoc1C1CC1 ZINC000335557556 136099906 /nfs/dbraw/zinc/09/99/06/136099906.db2.gz RAQBTPQAILRIFK-UHFFFAOYSA-N 1 2 244.250 1.932 20 0 BDADLO CC1(C)C[N@H+](Cc2cnns2)CCS1 ZINC000335570611 136109120 /nfs/dbraw/zinc/10/91/20/136109120.db2.gz UMSUVVRHMATHDY-UHFFFAOYSA-N 1 2 229.374 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnns2)CCS1 ZINC000335570611 136109121 /nfs/dbraw/zinc/10/91/21/136109121.db2.gz UMSUVVRHMATHDY-UHFFFAOYSA-N 1 2 229.374 1.866 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335599865 136114412 /nfs/dbraw/zinc/11/44/12/136114412.db2.gz SQUAJKWQCWRTEG-WCBMZHEXSA-N 1 2 239.344 1.401 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](COC)C1CC1 ZINC000181572903 397810434 /nfs/dbraw/zinc/81/04/34/397810434.db2.gz MGZDUPZJBSAWEO-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO O=[S@](CCn1cc[nH+]c1)c1ccccc1 ZINC000104664247 397783117 /nfs/dbraw/zinc/78/31/17/397783117.db2.gz JIXGQMIXNJAGNG-HNNXBMFYSA-N 1 2 220.297 1.691 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000164002900 397789615 /nfs/dbraw/zinc/78/96/15/397789615.db2.gz IZNGESVQORWMLO-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCC=C(F)C2)n1 ZINC000649573202 397965026 /nfs/dbraw/zinc/96/50/26/397965026.db2.gz XXNCLFCRJYOOPJ-UHFFFAOYSA-N 1 2 221.279 1.887 20 0 BDADLO Cc1cncc(CC[N@H+]2CCC=C(F)C2)n1 ZINC000649573202 397965030 /nfs/dbraw/zinc/96/50/30/397965030.db2.gz XXNCLFCRJYOOPJ-UHFFFAOYSA-N 1 2 221.279 1.887 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCCn1cc[nH+]c1 ZINC000448695242 397936592 /nfs/dbraw/zinc/93/65/92/397936592.db2.gz VGJYHYVXJKGMNU-WOPDTQHZSA-N 1 2 233.315 1.436 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCSC1 ZINC000267244145 397943787 /nfs/dbraw/zinc/94/37/87/397943787.db2.gz KXZFTAXBKKAXDX-JTQLQIEISA-N 1 2 239.344 1.285 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000649552009 397945308 /nfs/dbraw/zinc/94/53/08/397945308.db2.gz UCZQQQMNNBZHNI-DTWKUNHWSA-N 1 2 227.333 1.456 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000649552009 397945313 /nfs/dbraw/zinc/94/53/13/397945313.db2.gz UCZQQQMNNBZHNI-DTWKUNHWSA-N 1 2 227.333 1.456 20 0 BDADLO CCCc1nsc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000382447850 397949454 /nfs/dbraw/zinc/94/94/54/397949454.db2.gz KPGRDJZHGSMHMM-RKDXNWHRSA-N 1 2 240.376 1.594 20 0 BDADLO COc1nccnc1C[N@H+](C)CCC(F)(F)F ZINC000449021007 397950331 /nfs/dbraw/zinc/95/03/31/397950331.db2.gz RVAGEFICIUAOJB-UHFFFAOYSA-N 1 2 249.236 1.869 20 0 BDADLO COc1nccnc1C[N@@H+](C)CCC(F)(F)F ZINC000449021007 397950336 /nfs/dbraw/zinc/95/03/36/397950336.db2.gz RVAGEFICIUAOJB-UHFFFAOYSA-N 1 2 249.236 1.869 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@H](C)O ZINC000449270317 397953668 /nfs/dbraw/zinc/95/36/68/397953668.db2.gz QCMHGIIOUTWNDL-LPEHRKFASA-N 1 2 231.336 1.323 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000271433013 397967851 /nfs/dbraw/zinc/96/78/51/397967851.db2.gz OWAANGXQDCHJCU-IONNQARKSA-N 1 2 223.276 1.015 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=COCCC1 ZINC000264090065 397915249 /nfs/dbraw/zinc/91/52/49/397915249.db2.gz ANVZXNAIBMGBAR-JTQLQIEISA-N 1 2 235.287 1.082 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@H]1C1CCCC1 ZINC000649531076 397922355 /nfs/dbraw/zinc/92/23/55/397922355.db2.gz XOTKSOIMWRTTDF-OLZOCXBDSA-N 1 2 247.342 1.826 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000360310980 397964353 /nfs/dbraw/zinc/96/43/53/397964353.db2.gz NGFYWBJNSOBEDG-DTWKUNHWSA-N 1 2 239.319 1.253 20 0 BDADLO Cc1nc(N2CCCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000355791848 397923533 /nfs/dbraw/zinc/92/35/33/397923533.db2.gz ZZSKAMWDTUGXHD-JTQLQIEISA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC[C@H](C)C2)[nH+]1 ZINC000355791848 397923537 /nfs/dbraw/zinc/92/35/37/397923537.db2.gz ZZSKAMWDTUGXHD-JTQLQIEISA-N 1 2 249.362 1.872 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000455590636 397990239 /nfs/dbraw/zinc/99/02/39/397990239.db2.gz QQOZNLNZNOLDKE-SNVBAGLBSA-N 1 2 233.315 1.815 20 0 BDADLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000642714415 398000299 /nfs/dbraw/zinc/00/02/99/398000299.db2.gz IUPAAFQAMMILSV-JTQLQIEISA-N 1 2 248.330 1.597 20 0 BDADLO CCc1cc[nH+]cc1NCc1ccnn1C ZINC000650242535 398004083 /nfs/dbraw/zinc/00/40/83/398004083.db2.gz OAVGTCUSPOSMBI-UHFFFAOYSA-N 1 2 216.288 1.990 20 0 BDADLO CCn1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cn1 ZINC000649629423 398010321 /nfs/dbraw/zinc/01/03/21/398010321.db2.gz FMITUPNKTUIGSR-SNVBAGLBSA-N 1 2 247.302 1.689 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC(C2CC2)CC1 ZINC000649638016 398015415 /nfs/dbraw/zinc/01/54/15/398015415.db2.gz QZGTVLSLSMAOMR-UHFFFAOYSA-N 1 2 206.293 1.427 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC(C2CC2)CC1 ZINC000649638016 398015418 /nfs/dbraw/zinc/01/54/18/398015418.db2.gz QZGTVLSLSMAOMR-UHFFFAOYSA-N 1 2 206.293 1.427 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC(C2CC2)CC1 ZINC000649638016 398015421 /nfs/dbraw/zinc/01/54/21/398015421.db2.gz QZGTVLSLSMAOMR-UHFFFAOYSA-N 1 2 206.293 1.427 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC2(CCCC2)O1 ZINC000646132864 398020778 /nfs/dbraw/zinc/02/07/78/398020778.db2.gz HTDBABDZBWTTIE-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)CC2(CCCC2)O1 ZINC000646132864 398020783 /nfs/dbraw/zinc/02/07/83/398020783.db2.gz HTDBABDZBWTTIE-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)CC2(CCCC2)O1 ZINC000646132864 398020785 /nfs/dbraw/zinc/02/07/85/398020785.db2.gz HTDBABDZBWTTIE-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO COCC[C@H](C)CNc1cc(CO)cc[nH+]1 ZINC000641634343 398021167 /nfs/dbraw/zinc/02/11/67/398021167.db2.gz ZCOMUNWFSQJBRJ-JTQLQIEISA-N 1 2 224.304 1.658 20 0 BDADLO CCc1ccccc1CC[N@H+](C)CC(=O)OC ZINC000277536131 398030447 /nfs/dbraw/zinc/03/04/47/398030447.db2.gz AWVYDWLTWKDEIM-UHFFFAOYSA-N 1 2 235.327 1.896 20 0 BDADLO CCc1ccccc1CC[N@@H+](C)CC(=O)OC ZINC000277536131 398030451 /nfs/dbraw/zinc/03/04/51/398030451.db2.gz AWVYDWLTWKDEIM-UHFFFAOYSA-N 1 2 235.327 1.896 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCCO1 ZINC000277769277 398033376 /nfs/dbraw/zinc/03/33/76/398033376.db2.gz SUOUYSCDVYFWEP-NSHDSACASA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCCO1 ZINC000277769277 398033381 /nfs/dbraw/zinc/03/33/81/398033381.db2.gz SUOUYSCDVYFWEP-NSHDSACASA-N 1 2 237.303 1.028 20 0 BDADLO FC1(F)CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000649695370 398043909 /nfs/dbraw/zinc/04/39/09/398043909.db2.gz SQJBZLZTTITRKK-UHFFFAOYSA-N 1 2 201.220 1.641 20 0 BDADLO FC1(F)CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000649695370 398043912 /nfs/dbraw/zinc/04/39/12/398043912.db2.gz SQJBZLZTTITRKK-UHFFFAOYSA-N 1 2 201.220 1.641 20 0 BDADLO C[C@H]([NH2+]Cc1nccs1)C(=O)NC(C)(C)C ZINC000156962783 398092261 /nfs/dbraw/zinc/09/22/61/398092261.db2.gz ARORBOQJJIMMBN-QMMMGPOBSA-N 1 2 241.360 1.536 20 0 BDADLO CCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000649722043 398066221 /nfs/dbraw/zinc/06/62/21/398066221.db2.gz HHKMMPJBYCFHAB-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000649722043 398066222 /nfs/dbraw/zinc/06/62/22/398066222.db2.gz HHKMMPJBYCFHAB-WDEREUQCSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)C)[C@H](C)CO1 ZINC000649730147 398067871 /nfs/dbraw/zinc/06/78/71/398067871.db2.gz MFBGFWXDVSQQDZ-GHMZBOCLSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)[C@H](C)CO1 ZINC000649730147 398067872 /nfs/dbraw/zinc/06/78/72/398067872.db2.gz MFBGFWXDVSQQDZ-GHMZBOCLSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CC)[C@@H](C)CO1 ZINC000649729520 398068355 /nfs/dbraw/zinc/06/83/55/398068355.db2.gz BCZDVNIAUNDITJ-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)[C@@H](C)CO1 ZINC000649729520 398068358 /nfs/dbraw/zinc/06/83/58/398068358.db2.gz BCZDVNIAUNDITJ-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730746 398069291 /nfs/dbraw/zinc/06/92/91/398069291.db2.gz XFQDNEBMLWHLHJ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730746 398069294 /nfs/dbraw/zinc/06/92/94/398069294.db2.gz XFQDNEBMLWHLHJ-NEPJUHHUSA-N 1 2 242.363 1.402 20 0 BDADLO CC1(C)SC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283389759 398072866 /nfs/dbraw/zinc/07/28/66/398072866.db2.gz PKXWZYSJLMAOCC-CDAZIORVSA-N 1 2 237.328 1.433 20 0 BDADLO CCN(C[C@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283488453 398074118 /nfs/dbraw/zinc/07/41/18/398074118.db2.gz NXHZQMWFIPFGSR-BTDICHCPSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnnn2CC)[C@H](C)CO1 ZINC000649737260 398076090 /nfs/dbraw/zinc/07/60/90/398076090.db2.gz VBXAMVXVAWWROL-PWSUYJOCSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnnn2CC)[C@H](C)CO1 ZINC000649737260 398076092 /nfs/dbraw/zinc/07/60/92/398076092.db2.gz VBXAMVXVAWWROL-PWSUYJOCSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccn(C)n2)[C@H](C)CO1 ZINC000649735819 398076929 /nfs/dbraw/zinc/07/69/29/398076929.db2.gz RCCTWWBEOSUONE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccn(C)n2)[C@H](C)CO1 ZINC000649735819 398076932 /nfs/dbraw/zinc/07/69/32/398076932.db2.gz RCCTWWBEOSUONE-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)ncn2)[C@H](C)CO1 ZINC000649736776 398078650 /nfs/dbraw/zinc/07/86/50/398078650.db2.gz JAQAUMUFARRFHK-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)[C@H](C)CO1 ZINC000649736776 398078653 /nfs/dbraw/zinc/07/86/53/398078653.db2.gz JAQAUMUFARRFHK-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]([NH2+]Cc1nnnn1C)c1ccccc1F ZINC000389387799 398079925 /nfs/dbraw/zinc/07/99/25/398079925.db2.gz QKKYICCWVGVTQT-NSHDSACASA-N 1 2 249.293 1.590 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(F)cc1 ZINC000186980958 398080900 /nfs/dbraw/zinc/08/09/00/398080900.db2.gz GMRIFIVEAGVAKO-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000186980958 398080904 /nfs/dbraw/zinc/08/09/04/398080904.db2.gz GMRIFIVEAGVAKO-SNVBAGLBSA-N 1 2 236.290 1.488 20 0 BDADLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CCCOC1 ZINC000649755136 398085186 /nfs/dbraw/zinc/08/51/86/398085186.db2.gz GDJHBTSPKUZLLA-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CCCOC1 ZINC000649755136 398085191 /nfs/dbraw/zinc/08/51/91/398085191.db2.gz GDJHBTSPKUZLLA-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC[N@H+](Cc1cnns1)[C@@H]1CCCOC1 ZINC000649755471 398086600 /nfs/dbraw/zinc/08/66/00/398086600.db2.gz OPIGOYNIWLPPCJ-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@@H+](Cc1cnns1)[C@@H]1CCCOC1 ZINC000649755471 398086603 /nfs/dbraw/zinc/08/66/03/398086603.db2.gz OPIGOYNIWLPPCJ-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO CCc1nc(C[N@@H+](CC)[C@@H]2CCCOC2)no1 ZINC000649758725 398088302 /nfs/dbraw/zinc/08/83/02/398088302.db2.gz VGPINNARRUVQGX-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nc(C[N@H+](CC)[C@@H]2CCCOC2)no1 ZINC000649758725 398088304 /nfs/dbraw/zinc/08/83/04/398088304.db2.gz VGPINNARRUVQGX-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CC(=O)[C@@H](NC(=O)C[NH+]1CCCCC1)C(C)C ZINC000035222772 398091695 /nfs/dbraw/zinc/09/16/95/398091695.db2.gz KLFAMORVPDGRMZ-ZDUSSCGKSA-N 1 2 240.347 1.202 20 0 BDADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000649702507 398053227 /nfs/dbraw/zinc/05/32/27/398053227.db2.gz FVWWSQOSXBROGA-GFCCVEGCSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000649702507 398053231 /nfs/dbraw/zinc/05/32/31/398053231.db2.gz FVWWSQOSXBROGA-GFCCVEGCSA-N 1 2 238.335 1.205 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc(F)c(F)c1 ZINC000296379944 398120244 /nfs/dbraw/zinc/12/02/44/398120244.db2.gz UBFORQNOBXUUBI-ZETCQYMHSA-N 1 2 238.241 1.934 20 0 BDADLO O=C(NC1CC=CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649213710 398130991 /nfs/dbraw/zinc/13/09/91/398130991.db2.gz JJNWWIYEJAUYAL-JTQLQIEISA-N 1 2 231.299 1.280 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccn(C)n2)C2(CCC2)CO1 ZINC000649821818 398123469 /nfs/dbraw/zinc/12/34/69/398123469.db2.gz RCJZLCKAVSGVTE-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccn(C)n2)C2(CCC2)CO1 ZINC000649821818 398123471 /nfs/dbraw/zinc/12/34/71/398123471.db2.gz RCJZLCKAVSGVTE-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO COCCOCCSCCn1cc[nH+]c1 ZINC000184645390 174360656 /nfs/dbraw/zinc/36/06/56/174360656.db2.gz OPCLZCWZYURALN-UHFFFAOYSA-N 1 2 230.333 1.279 20 0 BDADLO COCc1cnc(C[N@H+](C)C2(CO)CC2)s1 ZINC000668801920 487565083 /nfs/dbraw/zinc/56/50/83/487565083.db2.gz ZOVPGQPVXJFIGZ-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@@H+](C)C2(CO)CC2)s1 ZINC000668801920 487565088 /nfs/dbraw/zinc/56/50/88/487565088.db2.gz ZOVPGQPVXJFIGZ-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1nccs1 ZINC000685628175 487567183 /nfs/dbraw/zinc/56/71/83/487567183.db2.gz UHXQFIJXUZLMSA-UHFFFAOYSA-N 1 2 248.355 1.894 20 0 BDADLO CCc1cc(NCc2ccc(C(N)=O)o2)nc[nH+]1 ZINC000674413095 487571852 /nfs/dbraw/zinc/57/18/52/487571852.db2.gz ZYQDRZIEUHTCOB-UHFFFAOYSA-N 1 2 246.270 1.343 20 0 BDADLO C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@H]1C ZINC000674412184 487571929 /nfs/dbraw/zinc/57/19/29/487571929.db2.gz WDQRQJZCGHZSAB-PHIMTYICSA-N 1 2 243.314 1.755 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1COCCO1 ZINC000408473249 487572720 /nfs/dbraw/zinc/57/27/20/487572720.db2.gz ZSKLWPDHEOCBSA-JTQLQIEISA-N 1 2 236.271 1.052 20 0 BDADLO C[C@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CCOC1 ZINC000680391708 487582685 /nfs/dbraw/zinc/58/26/85/487582685.db2.gz WMGKFUNRJZTPOS-ZDUSSCGKSA-N 1 2 245.282 1.699 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000674468493 487584727 /nfs/dbraw/zinc/58/47/27/487584727.db2.gz BYAYKWPMTRQJOI-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000674468493 487584730 /nfs/dbraw/zinc/58/47/30/487584730.db2.gz BYAYKWPMTRQJOI-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505474 487590072 /nfs/dbraw/zinc/59/00/72/487590072.db2.gz IKQOQUQZYIHACG-UHFFFAOYSA-N 1 2 245.326 1.688 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505474 487590075 /nfs/dbraw/zinc/59/00/75/487590075.db2.gz IKQOQUQZYIHACG-UHFFFAOYSA-N 1 2 245.326 1.688 20 0 BDADLO CCc1noc(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000680418875 487591349 /nfs/dbraw/zinc/59/13/49/487591349.db2.gz MYFBTOFUSVYNAE-MRVPVSSYSA-N 1 2 235.291 1.216 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]C(C)(C)c2cnn(C)c2)n1 ZINC000680422980 487591386 /nfs/dbraw/zinc/59/13/86/487591386.db2.gz DKLFLLXOXFKKJR-MRVPVSSYSA-N 1 2 249.318 1.697 20 0 BDADLO CC(C)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000530289376 487595005 /nfs/dbraw/zinc/59/50/05/487595005.db2.gz YZOMXXXMHBWBAS-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000530289376 487595008 /nfs/dbraw/zinc/59/50/08/487595008.db2.gz YZOMXXXMHBWBAS-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO Nc1nc(N2CCCOCC2)[nH+]c2ccccc12 ZINC000535006486 487604353 /nfs/dbraw/zinc/60/43/53/487604353.db2.gz HMZNOBUELPGNKT-UHFFFAOYSA-N 1 2 244.298 1.269 20 0 BDADLO CC(C)S(=O)(=O)CCNc1cccc[nH+]1 ZINC000288865169 167318234 /nfs/dbraw/zinc/31/82/34/167318234.db2.gz KTTBYYPJAINJPR-UHFFFAOYSA-N 1 2 228.317 1.317 20 0 BDADLO Cc1nnc(CC[NH2+][C@H](C)c2c[nH]nc2C)[nH]1 ZINC000679575737 487608303 /nfs/dbraw/zinc/60/83/03/487608303.db2.gz RBLRROGLROMRAH-SSDOTTSWSA-N 1 2 234.307 1.038 20 0 BDADLO Cc1noc(C[N@H+](C)CCOCC(F)F)n1 ZINC000653889211 487609339 /nfs/dbraw/zinc/60/93/39/487609339.db2.gz VJIINPSZAAGQHZ-UHFFFAOYSA-N 1 2 235.234 1.092 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOCC(F)F)n1 ZINC000653889211 487609345 /nfs/dbraw/zinc/60/93/45/487609345.db2.gz VJIINPSZAAGQHZ-UHFFFAOYSA-N 1 2 235.234 1.092 20 0 BDADLO CC1(NC(=O)CCc2[nH]cc[nH+]2)CC=CC1 ZINC000655227379 409640628 /nfs/dbraw/zinc/64/06/28/409640628.db2.gz OAWORXWKYFVXKO-UHFFFAOYSA-N 1 2 219.288 1.567 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@](C)(C(F)F)O1 ZINC000662358779 409672674 /nfs/dbraw/zinc/67/26/74/409672674.db2.gz FIAUZVBXRVUZIB-LDYMZIIASA-N 1 2 245.273 1.654 20 0 BDADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@](C)(C(F)F)O1 ZINC000662358779 409672678 /nfs/dbraw/zinc/67/26/78/409672678.db2.gz FIAUZVBXRVUZIB-LDYMZIIASA-N 1 2 245.273 1.654 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000526996426 487610760 /nfs/dbraw/zinc/61/07/60/487610760.db2.gz JSGCHZVGZNUSJF-VHSXEESVSA-N 1 2 249.314 1.373 20 0 BDADLO C(c1nnnn1C1CC1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660926280 409973388 /nfs/dbraw/zinc/97/33/88/409973388.db2.gz NBPYMXNSSMPBLQ-ONGXEEELSA-N 1 2 233.319 1.382 20 0 BDADLO C(c1nnnn1C1CC1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660926280 409973393 /nfs/dbraw/zinc/97/33/93/409973393.db2.gz NBPYMXNSSMPBLQ-ONGXEEELSA-N 1 2 233.319 1.382 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2C[C@@H](C)S[C@H](C)C2)[nH]1 ZINC000662987961 410013877 /nfs/dbraw/zinc/01/38/77/410013877.db2.gz ZFNGPQYLJPGOAR-HLTSFMKQSA-N 1 2 240.376 2.000 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CCCC1 ZINC000674092553 487611742 /nfs/dbraw/zinc/61/17/42/487611742.db2.gz OSHPOBUTBSBHMR-VIFPVBQESA-N 1 2 221.304 1.852 20 0 BDADLO CC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000040863870 410116706 /nfs/dbraw/zinc/11/67/06/410116706.db2.gz AOOPEYMSVRJXLX-UHFFFAOYSA-N 1 2 206.289 1.810 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC1(F)F)c1[nH]cc[nH+]1 ZINC000655401942 410205703 /nfs/dbraw/zinc/20/57/03/410205703.db2.gz DPVQZTZLFBEYSA-RITPCOANSA-N 1 2 215.203 1.242 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661176271 410322853 /nfs/dbraw/zinc/32/28/53/410322853.db2.gz CVPNTKAIPJWYQO-PSASIEDQSA-N 1 2 222.292 1.350 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661176271 410322855 /nfs/dbraw/zinc/32/28/55/410322855.db2.gz CVPNTKAIPJWYQO-PSASIEDQSA-N 1 2 222.292 1.350 20 0 BDADLO CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071540729 410416144 /nfs/dbraw/zinc/41/61/44/410416144.db2.gz OFULXCMGRBULRM-UHFFFAOYSA-N 1 2 203.245 1.392 20 0 BDADLO CN(CC[N@H+](C)C1CC1)c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767933 410418882 /nfs/dbraw/zinc/41/88/82/410418882.db2.gz IMXMXYLTSSVZRJ-UHFFFAOYSA-N 1 2 249.314 1.310 20 0 BDADLO CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767933 410418890 /nfs/dbraw/zinc/41/88/90/410418890.db2.gz IMXMXYLTSSVZRJ-UHFFFAOYSA-N 1 2 249.314 1.310 20 0 BDADLO C[C@@H](NC(=O)NCCCCF)c1[nH+]ccn1C ZINC000661217455 410364770 /nfs/dbraw/zinc/36/47/70/410364770.db2.gz NTEOSCLJOGERIM-SECBINFHSA-N 1 2 242.298 1.530 20 0 BDADLO Cc1cc(N2C[C@H](C)C(O)[C@@H](C)C2)nc[nH+]1 ZINC000664348544 410565881 /nfs/dbraw/zinc/56/58/81/410565881.db2.gz RLWNWWUUMDZPDF-IUCAKERBSA-N 1 2 221.304 1.238 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661421079 410640089 /nfs/dbraw/zinc/64/00/89/410640089.db2.gz AOXNGWNSZAEQLQ-BDAKNGLRSA-N 1 2 241.360 1.708 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000894513034 583475506 /nfs/dbraw/zinc/47/55/06/583475506.db2.gz APEDHILUDFEYLU-IONNQARKSA-N 1 2 221.247 1.715 20 0 BDADLO CC(C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651082760 410788425 /nfs/dbraw/zinc/78/84/25/410788425.db2.gz BCDRIUQSLBEQMD-UHFFFAOYSA-N 1 2 249.358 1.876 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651165665 410839952 /nfs/dbraw/zinc/83/99/52/410839952.db2.gz OZVLGSOBTNCVFX-NSHDSACASA-N 1 2 247.342 1.677 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651255475 410879934 /nfs/dbraw/zinc/87/99/34/410879934.db2.gz WRONAUAIWRLOHO-NWDGAFQWSA-N 1 2 247.342 1.863 20 0 BDADLO CC(C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000119033446 167068876 /nfs/dbraw/zinc/06/88/76/167068876.db2.gz ZVSULCPNZYSNEG-GFCCVEGCSA-N 1 2 249.314 1.653 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)Cc1cnccn1 ZINC000651302505 410910437 /nfs/dbraw/zinc/91/04/37/410910437.db2.gz SCGRQGSSGKZQCE-SNVBAGLBSA-N 1 2 244.298 1.923 20 0 BDADLO CC(C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000301942415 167149343 /nfs/dbraw/zinc/14/93/43/167149343.db2.gz VLYVGXYQKXUJCC-UHFFFAOYSA-N 1 2 223.324 1.881 20 0 BDADLO CC(C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000301942415 167149346 /nfs/dbraw/zinc/14/93/46/167149346.db2.gz VLYVGXYQKXUJCC-UHFFFAOYSA-N 1 2 223.324 1.881 20 0 BDADLO CC(C)OC(=O)[C@H](C)N(C)CCn1cc[nH+]c1 ZINC000131720060 167170740 /nfs/dbraw/zinc/17/07/40/167170740.db2.gz HCRLZRAUWFUPFO-NSHDSACASA-N 1 2 239.319 1.155 20 0 BDADLO CC(C)OCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000182726965 167242326 /nfs/dbraw/zinc/24/23/26/167242326.db2.gz YQKLHKCXHLWQSL-UHFFFAOYSA-N 1 2 247.298 1.489 20 0 BDADLO COC[C@@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674791684 487619339 /nfs/dbraw/zinc/61/93/39/487619339.db2.gz ZCHYPYHIQPLTOK-JTQLQIEISA-N 1 2 247.298 1.945 20 0 BDADLO CC(C)Oc1cncc(NCCn2cc[nH+]c2)n1 ZINC000120598377 167312533 /nfs/dbraw/zinc/31/25/33/167312533.db2.gz QCOSKBBRQZZUCB-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000357867687 167360550 /nfs/dbraw/zinc/36/05/50/167360550.db2.gz NEYMBDZDSWDIRZ-JTQLQIEISA-N 1 2 238.335 1.511 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000651364893 410953303 /nfs/dbraw/zinc/95/33/03/410953303.db2.gz OTOUZHNYHGQGBW-MGCOHNPYSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000651364893 410953308 /nfs/dbraw/zinc/95/33/08/410953308.db2.gz OTOUZHNYHGQGBW-MGCOHNPYSA-N 1 2 221.304 1.852 20 0 BDADLO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)[C@H](O)C(F)F ZINC000651398791 410979552 /nfs/dbraw/zinc/97/95/52/410979552.db2.gz ZXLYGFBDMCVRRQ-UASFKTIASA-N 1 2 247.289 1.773 20 0 BDADLO C[C@@H](CC(=O)NCc1ccc[nH]1)n1cc[nH+]c1 ZINC000651401326 410984365 /nfs/dbraw/zinc/98/43/65/410984365.db2.gz PTSZJBRPSPPDET-JTQLQIEISA-N 1 2 232.287 1.479 20 0 BDADLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)O2)n1cc[nH+]c1 ZINC000651419540 411001133 /nfs/dbraw/zinc/00/11/33/411001133.db2.gz DKKTTYSADAWQRF-SDDRHHMPSA-N 1 2 249.314 1.224 20 0 BDADLO CCn1cnnc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000652023252 411080034 /nfs/dbraw/zinc/08/00/34/411080034.db2.gz ZLMPSQSGOPDXQZ-SECBINFHSA-N 1 2 248.290 1.084 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2nccs2)c2[nH+]ccn21 ZINC000652157361 411162863 /nfs/dbraw/zinc/16/28/63/411162863.db2.gz RLAVZZOOVJYIRG-HTQZYQBOSA-N 1 2 248.311 1.775 20 0 BDADLO C[C@@H](O)C(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651625888 411131480 /nfs/dbraw/zinc/13/14/80/411131480.db2.gz WMEPWAROPFQADS-VHSXEESVSA-N 1 2 239.319 1.110 20 0 BDADLO Cc1cn2nc(-n3cc[nH+]c3)sc2n1 ZINC000044648732 411139313 /nfs/dbraw/zinc/13/93/13/411139313.db2.gz PQLGJCWMESSZCQ-UHFFFAOYSA-N 1 2 205.246 1.285 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)c2)no1 ZINC000044692473 411139442 /nfs/dbraw/zinc/13/94/42/411139442.db2.gz YZJSFPAZUWNHPC-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO Cc1cccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000212311255 411145754 /nfs/dbraw/zinc/14/57/54/411145754.db2.gz YFRRUGQTEWVSAR-NSHDSACASA-N 1 2 229.283 1.307 20 0 BDADLO CC[C@H]1C[N@H+](Cc2conc2C)[C@@H](C)CO1 ZINC000651932245 411150903 /nfs/dbraw/zinc/15/09/03/411150903.db2.gz OUDGMPJVDRFBBN-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2conc2C)[C@@H](C)CO1 ZINC000651932245 411150904 /nfs/dbraw/zinc/15/09/04/411150904.db2.gz OUDGMPJVDRFBBN-CABZTGNLSA-N 1 2 224.304 1.982 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2Cc3ccccc3[C@H]2C)C1=O ZINC000659978732 411153332 /nfs/dbraw/zinc/15/33/32/411153332.db2.gz IKFPLJXIZHIZHX-ZWNOBZJWSA-N 1 2 246.310 1.726 20 0 BDADLO CCN1OC[C@@H]([N@H+]2Cc3ccccc3[C@H]2C)C1=O ZINC000659978732 411153333 /nfs/dbraw/zinc/15/33/33/411153333.db2.gz IKFPLJXIZHIZHX-ZWNOBZJWSA-N 1 2 246.310 1.726 20 0 BDADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccon1 ZINC000657897513 411158713 /nfs/dbraw/zinc/15/87/13/411158713.db2.gz GAKDVERZSRCTRO-SNVBAGLBSA-N 1 2 218.260 1.496 20 0 BDADLO CC(C)c1nc(NCCc2ccn(C)n2)cc[nH+]1 ZINC000354558828 167687526 /nfs/dbraw/zinc/68/75/26/167687526.db2.gz BLRIRTOMWBEEFT-UHFFFAOYSA-N 1 2 245.330 1.410 20 0 BDADLO COCc1cc[nH+]c(NCC[C@@H]2CCOC2)c1 ZINC000652067825 411104822 /nfs/dbraw/zinc/10/48/22/411104822.db2.gz ITTIUKUAJHFSDR-LLVKDONJSA-N 1 2 236.315 1.488 20 0 BDADLO C[C@@H](CC(=O)N1CC(C(F)F)C1)n1cc[nH+]c1 ZINC000651527948 411115773 /nfs/dbraw/zinc/11/57/73/411115773.db2.gz DNCNORLODDJHOC-QMMMGPOBSA-N 1 2 243.257 1.558 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)o1 ZINC000364920078 411123336 /nfs/dbraw/zinc/12/33/36/411123336.db2.gz YBACQZIBWKAQLC-JBLDHEPKSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)o1 ZINC000364920078 411123338 /nfs/dbraw/zinc/12/33/38/411123338.db2.gz YBACQZIBWKAQLC-JBLDHEPKSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC(C)(C)[C@H]2C)co1 ZINC000660006170 411168224 /nfs/dbraw/zinc/16/82/24/411168224.db2.gz ICJKSGIQWLLGOK-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nc(C[N@H+]2CCOC(C)(C)[C@H]2C)co1 ZINC000660006170 411168226 /nfs/dbraw/zinc/16/82/26/411168226.db2.gz ICJKSGIQWLLGOK-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccccn1 ZINC000656103822 411178801 /nfs/dbraw/zinc/17/88/01/411178801.db2.gz KOQULGHJEKFMFV-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO c1nnn2c1C[N@H+]([C@H]1CCc3ccccc31)CC2 ZINC000653793531 411180362 /nfs/dbraw/zinc/18/03/62/411180362.db2.gz CHGGVYUNKILGAD-AWEZNQCLSA-N 1 2 240.310 1.781 20 0 BDADLO c1nnn2c1C[N@@H+]([C@H]1CCc3ccccc31)CC2 ZINC000653793531 411180364 /nfs/dbraw/zinc/18/03/64/411180364.db2.gz CHGGVYUNKILGAD-AWEZNQCLSA-N 1 2 240.310 1.781 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1cc(C)on1 ZINC000656111479 411180377 /nfs/dbraw/zinc/18/03/77/411180377.db2.gz IECSKMPKXVMDIL-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@](C)(O)C1CC1 ZINC000656125693 411183250 /nfs/dbraw/zinc/18/32/50/411183250.db2.gz ZHJLASJCKMIADC-GFCCVEGCSA-N 1 2 237.303 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCSC1 ZINC000656128799 411184049 /nfs/dbraw/zinc/18/40/49/411184049.db2.gz BFBLLRFOMWXRPI-QMMMGPOBSA-N 1 2 225.317 1.711 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC[C@@H](C)O ZINC000656129237 411184309 /nfs/dbraw/zinc/18/43/09/411184309.db2.gz YAEPWBPLMOAFFC-MRVPVSSYSA-N 1 2 225.292 1.001 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H]3COC[C@@]3(C)C2)no1 ZINC000661698956 411189844 /nfs/dbraw/zinc/18/98/44/411189844.db2.gz BVSJIKYWUFYGLL-PTOFAABTSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H]3COC[C@@]3(C)C2)no1 ZINC000661698956 411189847 /nfs/dbraw/zinc/18/98/47/411189847.db2.gz BVSJIKYWUFYGLL-PTOFAABTSA-N 1 2 237.303 1.407 20 0 BDADLO CC(C)n1ccc(C(=O)Nc2ccc(N)[nH+]c2)n1 ZINC000269143417 167759742 /nfs/dbraw/zinc/75/97/42/167759742.db2.gz DLONFGWKPVUFHQ-UHFFFAOYSA-N 1 2 245.286 1.694 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)n1 ZINC000653813365 411191175 /nfs/dbraw/zinc/19/11/75/411191175.db2.gz ASHUGHWKTHAULK-LBPRGKRZSA-N 1 2 235.331 1.943 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@H](OC3CCC3)C2)n1 ZINC000653813365 411191177 /nfs/dbraw/zinc/19/11/77/411191177.db2.gz ASHUGHWKTHAULK-LBPRGKRZSA-N 1 2 235.331 1.943 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CCCCCO ZINC000656182062 411194431 /nfs/dbraw/zinc/19/44/31/411194431.db2.gz LYJMPEMMWFVOGA-UHFFFAOYSA-N 1 2 239.319 1.392 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](CO)CCF ZINC000652305022 411195478 /nfs/dbraw/zinc/19/54/78/411195478.db2.gz TWIYFHFUAQYSPI-IONNQARKSA-N 1 2 215.272 1.089 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CCSC1 ZINC000656182472 411195525 /nfs/dbraw/zinc/19/55/25/411195525.db2.gz MKUGWQPUHXODIA-SECBINFHSA-N 1 2 239.344 1.959 20 0 BDADLO O=C1C[N@H+](C[C@@H]2CCCO2)Cc2ccccc2N1 ZINC000653830585 411195907 /nfs/dbraw/zinc/19/59/07/411195907.db2.gz RUZHIKRJJRABKS-LBPRGKRZSA-N 1 2 246.310 1.620 20 0 BDADLO O=C1C[N@@H+](C[C@@H]2CCCO2)Cc2ccccc2N1 ZINC000653830585 411195909 /nfs/dbraw/zinc/19/59/09/411195909.db2.gz RUZHIKRJJRABKS-LBPRGKRZSA-N 1 2 246.310 1.620 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@H](C)OC ZINC000656188195 411196726 /nfs/dbraw/zinc/19/67/26/411196726.db2.gz YDJVKTDPNKEZCZ-QMMMGPOBSA-N 1 2 225.292 1.265 20 0 BDADLO COc1c(C)[nH+]cnc1NCCCCF ZINC000656189851 411198246 /nfs/dbraw/zinc/19/82/46/411198246.db2.gz RVRQMEXVFNFYAY-UHFFFAOYSA-N 1 2 213.256 1.955 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](C)O)no1 ZINC000656415583 411245137 /nfs/dbraw/zinc/24/51/37/411245137.db2.gz NGRIYFFULWBSLR-ZJUUUORDSA-N 1 2 239.319 1.540 20 0 BDADLO CCc1nc([C@@H]2CCCC[N@H+]2C[C@@H](C)O)no1 ZINC000656415583 411245138 /nfs/dbraw/zinc/24/51/38/411245138.db2.gz NGRIYFFULWBSLR-ZJUUUORDSA-N 1 2 239.319 1.540 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)CCCCO ZINC000656194681 411202169 /nfs/dbraw/zinc/20/21/69/411202169.db2.gz NQEVKFOVKYNPRH-VIFPVBQESA-N 1 2 239.319 1.757 20 0 BDADLO CCc1cc(NCc2ncc(C)cn2)nc[nH+]1 ZINC000656201378 411206068 /nfs/dbraw/zinc/20/60/68/411206068.db2.gz BKGSCDRSMNYFPV-UHFFFAOYSA-N 1 2 229.287 1.750 20 0 BDADLO Cc1noc(C[N@H+](C)CCOC2CCC2)n1 ZINC000653888757 411210430 /nfs/dbraw/zinc/21/04/30/411210430.db2.gz GABBUSJAFGHHKR-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOC2CCC2)n1 ZINC000653888757 411210433 /nfs/dbraw/zinc/21/04/33/411210433.db2.gz GABBUSJAFGHHKR-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO c1ccc(NCc2nc([C@H]3CCCO3)n[nH]2)[nH+]c1 ZINC000656207883 411210475 /nfs/dbraw/zinc/21/04/75/411210475.db2.gz GVQFRKAQOQZBCI-SECBINFHSA-N 1 2 245.286 1.663 20 0 BDADLO COCC1(CNc2cc[nH+]c(C)n2)CC1 ZINC000656213588 411211256 /nfs/dbraw/zinc/21/12/56/411211256.db2.gz FSLUSCQLSVFDGG-UHFFFAOYSA-N 1 2 207.277 1.624 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000656269880 411220608 /nfs/dbraw/zinc/22/06/08/411220608.db2.gz UZHHQWVHLCZQFC-UTLUCORTSA-N 1 2 236.319 1.402 20 0 BDADLO FC1(F)CC12C[NH+](Cc1cccnc1)C2 ZINC000656266414 411221959 /nfs/dbraw/zinc/22/19/59/411221959.db2.gz GHZUEQTUPBIXNU-UHFFFAOYSA-N 1 2 210.227 1.923 20 0 BDADLO CC(C)CN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660099646 411230568 /nfs/dbraw/zinc/23/05/68/411230568.db2.gz IHEYKQIFHPIKBZ-JTQLQIEISA-N 1 2 238.335 1.779 20 0 BDADLO Cc1cccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)c1 ZINC000656434980 411247655 /nfs/dbraw/zinc/24/76/55/411247655.db2.gz BOKUYWOUJWUNTM-ZDUSSCGKSA-N 1 2 244.298 1.237 20 0 BDADLO CC(C)(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1[nH]cc[nH+]1 ZINC000652412363 411234263 /nfs/dbraw/zinc/23/42/63/411234263.db2.gz ZRYAQYYBTUGYKI-OPRDCNLKSA-N 1 2 249.314 1.186 20 0 BDADLO Cn1cc[nH+]c1-c1cccc(CCO)c1 ZINC000656371778 411238333 /nfs/dbraw/zinc/23/83/33/411238333.db2.gz TZWBTJGKCRQQMY-UHFFFAOYSA-N 1 2 202.257 1.622 20 0 BDADLO C[C@H](CC[NH+](C)C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000049560471 411241140 /nfs/dbraw/zinc/24/11/40/411241140.db2.gz WLJGDLBOKAULQA-SECBINFHSA-N 1 2 237.303 1.532 20 0 BDADLO c1coc(C[NH2+]Cc2cn(C3CCC3)nn2)c1 ZINC000656455360 411264337 /nfs/dbraw/zinc/26/43/37/411264337.db2.gz DVORFZNGVNINRX-UHFFFAOYSA-N 1 2 232.287 1.886 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](Cc1cccnc1)CC2 ZINC000623293817 411270367 /nfs/dbraw/zinc/27/03/67/411270367.db2.gz HPCLNGANTHFTMD-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](Cc1cccnc1)CC2 ZINC000623293817 411270371 /nfs/dbraw/zinc/27/03/71/411270371.db2.gz HPCLNGANTHFTMD-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H](F)C1 ZINC000652565508 411273639 /nfs/dbraw/zinc/27/36/39/411273639.db2.gz ZKPGSGGZQBJIHK-VIFPVBQESA-N 1 2 248.261 1.910 20 0 BDADLO CCCC[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658160678 411274050 /nfs/dbraw/zinc/27/40/50/411274050.db2.gz HYNOLSYAPVNDHQ-VIFPVBQESA-N 1 2 226.324 1.619 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]2C2CCC2)nc(N)[nH+]1 ZINC000631308459 411274553 /nfs/dbraw/zinc/27/45/53/411274553.db2.gz CBASYFBMNSKZCL-UWVGGRQHSA-N 1 2 233.319 1.032 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@H]2C2CCC2)[nH+]1 ZINC000631308459 411274555 /nfs/dbraw/zinc/27/45/55/411274555.db2.gz CBASYFBMNSKZCL-UWVGGRQHSA-N 1 2 233.319 1.032 20 0 BDADLO CC[C@@H](NCc1cn(CC)nn1)c1[nH+]ccn1C ZINC000658175540 411281860 /nfs/dbraw/zinc/28/18/60/411281860.db2.gz DTYGPEYSSBZIEN-LLVKDONJSA-N 1 2 248.334 1.272 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2cncc(C)c2)nn1 ZINC000658176664 411283147 /nfs/dbraw/zinc/28/31/47/411283147.db2.gz OTEHKJGVPJJGOV-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2ccccn2)on1 ZINC000660240819 411304164 /nfs/dbraw/zinc/30/41/64/411304164.db2.gz AFUSOCSWBDGDGX-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC000654001511 411309330 /nfs/dbraw/zinc/30/93/30/411309330.db2.gz XTYOBQHBLDLSLC-GUBZILKMSA-N 1 2 221.304 1.736 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)nc(C)n2)CCO1 ZINC000659838753 411318168 /nfs/dbraw/zinc/31/81/68/411318168.db2.gz RQJWUQJPPLEYHK-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)nc(C)n2)CCO1 ZINC000659838753 411318170 /nfs/dbraw/zinc/31/81/70/411318170.db2.gz RQJWUQJPPLEYHK-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO Cc1cc(NC(=O)N(C[C@@H](C)O)C2CC2)cc[nH+]1 ZINC000654025797 411319732 /nfs/dbraw/zinc/31/97/32/411319732.db2.gz PALDEMNVOLCPJR-SNVBAGLBSA-N 1 2 249.314 1.189 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000045752943 411248656 /nfs/dbraw/zinc/24/86/56/411248656.db2.gz QYLDMCSETTXAMG-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000045752943 411248659 /nfs/dbraw/zinc/24/86/59/411248659.db2.gz QYLDMCSETTXAMG-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000656432837 411249241 /nfs/dbraw/zinc/24/92/41/411249241.db2.gz DPGGYYQUFQVVOV-ZDUSSCGKSA-N 1 2 244.298 1.237 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](OC)C2)[nH]1 ZINC000659874689 411358549 /nfs/dbraw/zinc/35/85/49/411358549.db2.gz GPRCPPSDXWYGEJ-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](OC)C2)[nH]1 ZINC000659874689 411358551 /nfs/dbraw/zinc/35/85/51/411358551.db2.gz GPRCPPSDXWYGEJ-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cn(C)cn1 ZINC000661982482 411343783 /nfs/dbraw/zinc/34/37/83/411343783.db2.gz YLWGZDUVFNPBDI-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cn(C)cn1 ZINC000661982482 411343787 /nfs/dbraw/zinc/34/37/87/411343787.db2.gz YLWGZDUVFNPBDI-LBPRGKRZSA-N 1 2 249.358 1.954 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1nccn1C ZINC000658338798 411346272 /nfs/dbraw/zinc/34/62/72/411346272.db2.gz LRSJWFRUKNCDGN-VHSXEESVSA-N 1 2 233.319 1.565 20 0 BDADLO C[C@@H](N[C@@H](C)c1ccn(C)n1)c1[nH+]ccn1C ZINC000658338798 411346275 /nfs/dbraw/zinc/34/62/75/411346275.db2.gz LRSJWFRUKNCDGN-VHSXEESVSA-N 1 2 233.319 1.565 20 0 BDADLO CC1(C[N@H+](CCO)CC(F)F)CCC1 ZINC000336675820 168022580 /nfs/dbraw/zinc/02/25/80/168022580.db2.gz BWVWDAIEJBOLFG-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO CC1(C[N@@H+](CCO)CC(F)F)CCC1 ZINC000336675820 168022581 /nfs/dbraw/zinc/02/25/81/168022581.db2.gz BWVWDAIEJBOLFG-UHFFFAOYSA-N 1 2 207.264 1.736 20 0 BDADLO CC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000153412066 168035447 /nfs/dbraw/zinc/03/54/47/168035447.db2.gz JDYBVZSRCRVTPV-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000125846660 168058828 /nfs/dbraw/zinc/05/88/28/168058828.db2.gz ARGSMODNRDCXAS-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO CO[C@@H](C[N@H+](CC(F)F)C1CC1)[C@H]1CCOC1 ZINC000659909937 411380259 /nfs/dbraw/zinc/38/02/59/411380259.db2.gz YZPRUNOOEUAMPC-ONGXEEELSA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@@H](C[N@@H+](CC(F)F)C1CC1)[C@H]1CCOC1 ZINC000659909937 411380261 /nfs/dbraw/zinc/38/02/61/411380261.db2.gz YZPRUNOOEUAMPC-ONGXEEELSA-N 1 2 249.301 1.767 20 0 BDADLO CC1=CC[N@H+](Cc2ncnn2CCF)CC1 ZINC000281379429 168113920 /nfs/dbraw/zinc/11/39/20/168113920.db2.gz ADICWFWAPVVWPH-UHFFFAOYSA-N 1 2 224.283 1.400 20 0 BDADLO CC1=CC[N@@H+](Cc2ncnn2CCF)CC1 ZINC000281379429 168113922 /nfs/dbraw/zinc/11/39/22/168113922.db2.gz ADICWFWAPVVWPH-UHFFFAOYSA-N 1 2 224.283 1.400 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC(C)C1 ZINC000267757018 168142940 /nfs/dbraw/zinc/14/29/40/168142940.db2.gz YHYYDYAWZKOEPW-YVNMAJEFSA-N 1 2 236.319 1.369 20 0 BDADLO CC1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000134333025 168173727 /nfs/dbraw/zinc/17/37/27/168173727.db2.gz NWSSBYVWFMILBC-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO CC1CCN(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000336007431 168173796 /nfs/dbraw/zinc/17/37/96/168173796.db2.gz YRIJXXZTSLJOPG-UHFFFAOYSA-N 1 2 248.330 1.551 20 0 BDADLO CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336423603 168215086 /nfs/dbraw/zinc/21/50/86/168215086.db2.gz SIBNNIJSWKDWLA-UHFFFAOYSA-N 1 2 207.277 1.526 20 0 BDADLO CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336423603 168215088 /nfs/dbraw/zinc/21/50/88/168215088.db2.gz SIBNNIJSWKDWLA-UHFFFAOYSA-N 1 2 207.277 1.526 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH+]c(C)cc2C)co1 ZINC000654380188 411382828 /nfs/dbraw/zinc/38/28/28/411382828.db2.gz PMTUJUWOVGMZFX-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO CCC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000278582255 168245216 /nfs/dbraw/zinc/24/52/16/168245216.db2.gz JONSOMJTGLSBSS-UHFFFAOYSA-N 1 2 232.287 1.977 20 0 BDADLO CCC(C)(C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000376981630 168280433 /nfs/dbraw/zinc/28/04/33/168280433.db2.gz JEWLHWOWAGUUCZ-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CCC(C)(C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000365305123 168280486 /nfs/dbraw/zinc/28/04/86/168280486.db2.gz NREGKJSOXYWIKA-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657299746 411455136 /nfs/dbraw/zinc/45/51/36/411455136.db2.gz PGYFADZHCMPFSJ-YPMHNXCESA-N 1 2 248.326 1.319 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657299746 411455138 /nfs/dbraw/zinc/45/51/38/411455138.db2.gz PGYFADZHCMPFSJ-YPMHNXCESA-N 1 2 248.326 1.319 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654881229 411459416 /nfs/dbraw/zinc/45/94/16/411459416.db2.gz GOLMTUPFYBZMCZ-MNOVXSKESA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654881229 411459419 /nfs/dbraw/zinc/45/94/19/411459419.db2.gz GOLMTUPFYBZMCZ-MNOVXSKESA-N 1 2 235.331 1.847 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](F)C1 ZINC000653013443 411394942 /nfs/dbraw/zinc/39/49/42/411394942.db2.gz RFQKNNYOGAJKJJ-NSHDSACASA-N 1 2 239.294 1.624 20 0 BDADLO C[C@@H]1CCCCN1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028315 411395192 /nfs/dbraw/zinc/39/51/92/411395192.db2.gz GJOCNONBGBCMEC-SNVBAGLBSA-N 1 2 236.319 1.836 20 0 BDADLO C[C@@H]1CCCCN1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028315 411395194 /nfs/dbraw/zinc/39/51/94/411395194.db2.gz GJOCNONBGBCMEC-SNVBAGLBSA-N 1 2 236.319 1.836 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)nn1 ZINC000414371605 411411151 /nfs/dbraw/zinc/41/11/51/411411151.db2.gz NFGCYFCMHXZFNS-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)nn1 ZINC000414371605 411411152 /nfs/dbraw/zinc/41/11/52/411411152.db2.gz NFGCYFCMHXZFNS-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@@H](C3CC3)C2)c1 ZINC000660322640 411412111 /nfs/dbraw/zinc/41/21/11/411412111.db2.gz MLQHDKAOXREHMJ-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCC1=O ZINC000660323308 411412163 /nfs/dbraw/zinc/41/21/63/411412163.db2.gz RLMANHGIHGPVFF-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCC1=O ZINC000660323308 411412164 /nfs/dbraw/zinc/41/21/64/411412164.db2.gz RLMANHGIHGPVFF-SNVBAGLBSA-N 1 2 243.310 1.974 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1c(C)nsc1C ZINC000653499010 411413430 /nfs/dbraw/zinc/41/34/30/411413430.db2.gz WXFFWOLKEFLQAK-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1c(C)nsc1C ZINC000653499010 411413431 /nfs/dbraw/zinc/41/34/31/411413431.db2.gz WXFFWOLKEFLQAK-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405042992 411414086 /nfs/dbraw/zinc/41/40/86/411414086.db2.gz DHZWWBOYPGTNSX-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405042992 411414087 /nfs/dbraw/zinc/41/40/87/411414087.db2.gz DHZWWBOYPGTNSX-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CCC[C@@H]2C2CC2)n1 ZINC000653542351 411419204 /nfs/dbraw/zinc/41/92/04/411419204.db2.gz OHDVDDYBYHUJRA-LLVKDONJSA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CCC[C@@H]2C2CC2)n1 ZINC000653542351 411419207 /nfs/dbraw/zinc/41/92/07/411419207.db2.gz OHDVDDYBYHUJRA-LLVKDONJSA-N 1 2 249.362 1.803 20 0 BDADLO C[C@H](NC(=O)NC[C@H]1C[C@@H]1C)c1[nH+]ccn1C ZINC000660344844 411424321 /nfs/dbraw/zinc/42/43/21/411424321.db2.gz ZZERHNITHQDTDI-LPEHRKFASA-N 1 2 236.319 1.436 20 0 BDADLO COCC1=CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000122400911 411431524 /nfs/dbraw/zinc/43/15/24/411431524.db2.gz ZIVCWBRXVJDHRK-UHFFFAOYSA-N 1 2 234.299 1.357 20 0 BDADLO CO[C@@H](C)CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000272726983 411434831 /nfs/dbraw/zinc/43/48/31/411434831.db2.gz AFRQSTXNYZVHGQ-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO CC(C)(C)n1cc(Cn2cc[nH+]c2)cn1 ZINC000657255010 411435862 /nfs/dbraw/zinc/43/58/62/411435862.db2.gz GYDLOWNTQZXLBV-UHFFFAOYSA-N 1 2 204.277 1.883 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cnnn1C ZINC000281831938 411454110 /nfs/dbraw/zinc/45/41/10/411454110.db2.gz JVEYFFFRNIWRFF-UHFFFAOYSA-N 1 2 231.259 1.025 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657328744 411467333 /nfs/dbraw/zinc/46/73/33/411467333.db2.gz DQZUQTLFOXSGGH-UHFFFAOYSA-N 1 2 246.314 1.724 20 0 BDADLO Cc1nocc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000295440425 411477988 /nfs/dbraw/zinc/47/79/88/411477988.db2.gz ULKJNJFPHXGDIW-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nocc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000295440425 411477990 /nfs/dbraw/zinc/47/79/90/411477990.db2.gz ULKJNJFPHXGDIW-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO COc1cc(C[N@H+](C)Cc2ccoc2)on1 ZINC000659853391 411478219 /nfs/dbraw/zinc/47/82/19/411478219.db2.gz UCDOZMREOLWZGA-UHFFFAOYSA-N 1 2 222.244 1.908 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2ccoc2)on1 ZINC000659853391 411478222 /nfs/dbraw/zinc/47/82/22/411478222.db2.gz UCDOZMREOLWZGA-UHFFFAOYSA-N 1 2 222.244 1.908 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000657373727 411482907 /nfs/dbraw/zinc/48/29/07/411482907.db2.gz AMSHLQZZWFEUFD-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC(C)(F)C3)ccn12 ZINC000655040674 411483106 /nfs/dbraw/zinc/48/31/06/411483106.db2.gz ZDFXCFZKRXERAS-UHFFFAOYSA-N 1 2 247.273 1.827 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC(F)(F)C1 ZINC000652746102 411484851 /nfs/dbraw/zinc/48/48/51/411484851.db2.gz XATMOBNLSIPNTQ-UHFFFAOYSA-N 1 2 243.257 1.518 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000659874786 411486063 /nfs/dbraw/zinc/48/60/63/411486063.db2.gz REPIUECMDUGQGL-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000659874786 411486065 /nfs/dbraw/zinc/48/60/65/411486065.db2.gz REPIUECMDUGQGL-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@H](C)C2)co1 ZINC000659875738 411487317 /nfs/dbraw/zinc/48/73/17/411487317.db2.gz YIVGSHOVWDHWAC-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@H](C)C2)co1 ZINC000659875738 411487319 /nfs/dbraw/zinc/48/73/19/411487319.db2.gz YIVGSHOVWDHWAC-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO CCN(C(=O)Cn1cc[nH+]c1)[C@H](C)C(C)C ZINC000655090607 411492976 /nfs/dbraw/zinc/49/29/76/411492976.db2.gz PYDXSLSRCAWKDR-LLVKDONJSA-N 1 2 223.320 1.776 20 0 BDADLO Cc1[nH+]cccc1NCc1nnn(C(C)(C)C)n1 ZINC000657412518 411498332 /nfs/dbraw/zinc/49/83/32/411498332.db2.gz GJIYYKQFTIWHRO-UHFFFAOYSA-N 1 2 246.318 1.744 20 0 BDADLO Cc1c[nH]c(CNc2cnccc2CO)[nH+]1 ZINC000657412380 411498687 /nfs/dbraw/zinc/49/86/87/411498687.db2.gz DUMCKBBBFSMBLL-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1cn[nH]c1 ZINC000657419169 411502255 /nfs/dbraw/zinc/50/22/55/411502255.db2.gz RHKKSJNZDYKDHT-SECBINFHSA-N 1 2 246.318 1.577 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC12CC2 ZINC000655150172 411505471 /nfs/dbraw/zinc/50/54/71/411505471.db2.gz WXAUGYHMFLZMLN-VHSXEESVSA-N 1 2 233.315 1.505 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC12CC2 ZINC000655150172 411505474 /nfs/dbraw/zinc/50/54/74/411505474.db2.gz WXAUGYHMFLZMLN-VHSXEESVSA-N 1 2 233.315 1.505 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](CCO)c2ccco2)n1 ZINC000657436581 411508917 /nfs/dbraw/zinc/50/89/17/411508917.db2.gz DPUIODKLKAJDCX-JTQLQIEISA-N 1 2 235.287 1.524 20 0 BDADLO CC(C)n1ccnc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000657448721 411510041 /nfs/dbraw/zinc/51/00/41/411510041.db2.gz WUSCVBRUNPFFJX-JTQLQIEISA-N 1 2 238.335 1.030 20 0 BDADLO CCCn1nccc1C[NH2+][C@H](C)c1ncnn1C ZINC000657445847 411512807 /nfs/dbraw/zinc/51/28/07/411512807.db2.gz LRTRGMSKTKBXMQ-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO COc1nn(C)cc1NCc1[nH]cc(C)[nH+]1 ZINC000657446122 411512832 /nfs/dbraw/zinc/51/28/32/411512832.db2.gz NYCQMAMYVDBTSI-UHFFFAOYSA-N 1 2 221.264 1.072 20 0 BDADLO CC1CC([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)C1 ZINC000655794206 411516299 /nfs/dbraw/zinc/51/62/99/411516299.db2.gz JLZHGRLIEREKNP-RTBKNWGFSA-N 1 2 236.319 1.544 20 0 BDADLO CC[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655800126 411517793 /nfs/dbraw/zinc/51/77/93/411517793.db2.gz YGUNIROMANCCQJ-DTWKUNHWSA-N 1 2 224.308 1.544 20 0 BDADLO CC[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655800127 411517875 /nfs/dbraw/zinc/51/78/75/411517875.db2.gz YGUNIROMANCCQJ-IUCAKERBSA-N 1 2 224.308 1.544 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000659985609 411520299 /nfs/dbraw/zinc/52/02/99/411520299.db2.gz NXOSZSCDBSRBGB-CHWSQXEVSA-N 1 2 246.310 1.596 20 0 BDADLO CCN1OC[C@@H]([N@H+]2CC[C@@H]2c2ccccc2)C1=O ZINC000659985609 411520301 /nfs/dbraw/zinc/52/03/01/411520301.db2.gz NXOSZSCDBSRBGB-CHWSQXEVSA-N 1 2 246.310 1.596 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659992181 411522708 /nfs/dbraw/zinc/52/27/08/411522708.db2.gz BILMPZGONLSLJJ-OUAUKWLOSA-N 1 2 220.320 1.673 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659992181 411522709 /nfs/dbraw/zinc/52/27/09/411522709.db2.gz BILMPZGONLSLJJ-OUAUKWLOSA-N 1 2 220.320 1.673 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H]1CNC(=O)C1)C(F)(F)F ZINC000660083774 411535110 /nfs/dbraw/zinc/53/51/10/411535110.db2.gz RHINSTIQNQZPIJ-CBAPKCEASA-N 1 2 238.253 1.443 20 0 BDADLO Cc1c[nH]c(CNCc2nn(C)cc2Cl)[nH+]1 ZINC000657480984 411526457 /nfs/dbraw/zinc/52/64/57/411526457.db2.gz DYILOIHNLCOCQA-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO c1c[nH]c([C@H]2CCC[N@H+]2CCc2cnn[nH]2)c1 ZINC000660032366 411529953 /nfs/dbraw/zinc/52/99/53/411529953.db2.gz GPODILWZVHJFOS-GFCCVEGCSA-N 1 2 231.303 1.512 20 0 BDADLO c1c[nH]c([C@H]2CCC[N@@H+]2CCc2cnn[nH]2)c1 ZINC000660032366 411529955 /nfs/dbraw/zinc/52/99/55/411529955.db2.gz GPODILWZVHJFOS-GFCCVEGCSA-N 1 2 231.303 1.512 20 0 BDADLO CCN1OC[C@@H]([N@H+](C)Cc2cccs2)C1=O ZINC000659825650 411464878 /nfs/dbraw/zinc/46/48/78/411464878.db2.gz DMIVFPAVJRSQGJ-SNVBAGLBSA-N 1 2 240.328 1.342 20 0 BDADLO CCN1OC[C@@H]([N@@H+](C)Cc2cccs2)C1=O ZINC000659825650 411464879 /nfs/dbraw/zinc/46/48/79/411464879.db2.gz DMIVFPAVJRSQGJ-SNVBAGLBSA-N 1 2 240.328 1.342 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000660132250 411542791 /nfs/dbraw/zinc/54/27/91/411542791.db2.gz HUWLLWCPWOHIIA-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@H]1C[N@H+]([C@H]2CCN(CC)C2=O)CCO1 ZINC000660132250 411542793 /nfs/dbraw/zinc/54/27/93/411542793.db2.gz HUWLLWCPWOHIIA-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305823 170060787 /nfs/dbraw/zinc/06/07/87/170060787.db2.gz SXVWIHZKUOHYOP-UHFFFAOYSA-N 1 2 204.273 1.138 20 0 BDADLO CCNC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000032489132 170061506 /nfs/dbraw/zinc/06/15/06/170061506.db2.gz DUJBXOIAMZDWAS-SNVBAGLBSA-N 1 2 221.304 1.001 20 0 BDADLO CCNC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000032489132 170061508 /nfs/dbraw/zinc/06/15/08/170061508.db2.gz DUJBXOIAMZDWAS-SNVBAGLBSA-N 1 2 221.304 1.001 20 0 BDADLO CCNC(=O)C[NH2+]Cc1c(F)cccc1Cl ZINC000035134185 170064687 /nfs/dbraw/zinc/06/46/87/170064687.db2.gz NHUXGWKOKNOIFV-UHFFFAOYSA-N 1 2 244.697 1.705 20 0 BDADLO Cc1nc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000660142505 411543375 /nfs/dbraw/zinc/54/33/75/411543375.db2.gz GFJPYCILTYWVKG-SSDOTTSWSA-N 1 2 221.264 1.294 20 0 BDADLO CCCCNC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144187 411544410 /nfs/dbraw/zinc/54/44/10/411544410.db2.gz RSWHCNDLSGGTKG-SNVBAGLBSA-N 1 2 238.335 1.146 20 0 BDADLO CCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069044220 170081506 /nfs/dbraw/zinc/08/15/06/170081506.db2.gz ZZGGLONCLXOJLI-UHFFFAOYSA-N 1 2 232.287 1.462 20 0 BDADLO CCNC(=O)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000265326275 170096178 /nfs/dbraw/zinc/09/61/78/170096178.db2.gz FRNRCYFTAYJYQG-VIFPVBQESA-N 1 2 248.330 1.599 20 0 BDADLO C[C@H](NC(=O)NCc1ccco1)c1[nH+]ccn1C ZINC000660203111 411552963 /nfs/dbraw/zinc/55/29/63/411552963.db2.gz BDBSWCNTMJDSMI-VIFPVBQESA-N 1 2 248.286 1.574 20 0 BDADLO CC(C)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660206404 411553466 /nfs/dbraw/zinc/55/34/66/411553466.db2.gz IZKNNROITOROJL-VIFPVBQESA-N 1 2 224.308 1.436 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)on1 ZINC000660221678 411555801 /nfs/dbraw/zinc/55/58/01/411555801.db2.gz QJSSZASREYLQNP-WPRPVWTQSA-N 1 2 228.267 1.863 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)on1 ZINC000660221678 411555803 /nfs/dbraw/zinc/55/58/03/411555803.db2.gz QJSSZASREYLQNP-WPRPVWTQSA-N 1 2 228.267 1.863 20 0 BDADLO CCc1nnc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)[nH]1 ZINC000660142011 411545140 /nfs/dbraw/zinc/54/51/40/411545140.db2.gz MCQJPTLCBXSJRT-MRVPVSSYSA-N 1 2 234.307 1.283 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1coc(C)n1 ZINC000660148418 411546621 /nfs/dbraw/zinc/54/66/21/411546621.db2.gz LIGNESWHBVHODY-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1coc(C)n1 ZINC000660148418 411546622 /nfs/dbraw/zinc/54/66/22/411546622.db2.gz LIGNESWHBVHODY-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000660151169 411546885 /nfs/dbraw/zinc/54/68/85/411546885.db2.gz PRIAPDMQMJIZIG-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000660151169 411546886 /nfs/dbraw/zinc/54/68/86/411546886.db2.gz PRIAPDMQMJIZIG-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1c[nH+]c(CN2CCOC[C@@H]2C2CC2)c1 ZINC000660151169 411546887 /nfs/dbraw/zinc/54/68/87/411546887.db2.gz PRIAPDMQMJIZIG-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000660166852 411550089 /nfs/dbraw/zinc/55/00/89/411550089.db2.gz GMPUWRNWEPMWDN-SNVBAGLBSA-N 1 2 212.268 1.166 20 0 BDADLO CCN1CC[C@@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000660166852 411550091 /nfs/dbraw/zinc/55/00/91/411550091.db2.gz GMPUWRNWEPMWDN-SNVBAGLBSA-N 1 2 212.268 1.166 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC(C1CC1)C1CC1 ZINC000660296930 411565960 /nfs/dbraw/zinc/56/59/60/411565960.db2.gz VRNARGUQDHURGV-UHFFFAOYSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC(C1CC1)C1CC1 ZINC000660296930 411565962 /nfs/dbraw/zinc/56/59/62/411565962.db2.gz VRNARGUQDHURGV-UHFFFAOYSA-N 1 2 248.330 1.740 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1ccon1 ZINC000265908277 170204720 /nfs/dbraw/zinc/20/47/20/170204720.db2.gz VUCMBHICNFXFSF-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000265908277 170204722 /nfs/dbraw/zinc/20/47/22/170204722.db2.gz VUCMBHICNFXFSF-UHFFFAOYSA-N 1 2 212.249 1.060 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000050066462 170214468 /nfs/dbraw/zinc/21/44/68/170214468.db2.gz ZKHQMKXRZZKDJS-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000050066462 170214469 /nfs/dbraw/zinc/21/44/69/170214469.db2.gz ZKHQMKXRZZKDJS-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)CNC(=O)Nc1cc[nH+]cc1C ZINC000104233957 170223011 /nfs/dbraw/zinc/22/30/11/170223011.db2.gz IXUGGOYYSUIPJN-UHFFFAOYSA-N 1 2 237.259 1.075 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000369331998 170226811 /nfs/dbraw/zinc/22/68/11/170226811.db2.gz RPTOAPKSTOWLLL-LBPRGKRZSA-N 1 2 248.326 1.418 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CC=C(COC)CC1 ZINC000185845572 170247309 /nfs/dbraw/zinc/24/73/09/170247309.db2.gz KWNMFUNMZDMJCZ-SNVBAGLBSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CC=C(COC)CC1 ZINC000185845572 170247311 /nfs/dbraw/zinc/24/73/11/170247311.db2.gz KWNMFUNMZDMJCZ-SNVBAGLBSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCO1 ZINC000037957728 170250295 /nfs/dbraw/zinc/25/02/95/170250295.db2.gz ADZWNNBZYJQMRO-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119535275 170266593 /nfs/dbraw/zinc/26/65/93/170266593.db2.gz VCDFTGCSIWBNBD-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119535275 170266594 /nfs/dbraw/zinc/26/65/94/170266594.db2.gz VCDFTGCSIWBNBD-RYUDHWBXSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111272959 170267428 /nfs/dbraw/zinc/26/74/28/170267428.db2.gz SBYZUEYIJXIUPO-GARJFASQSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111272959 170267429 /nfs/dbraw/zinc/26/74/29/170267429.db2.gz SBYZUEYIJXIUPO-GARJFASQSA-N 1 2 229.320 1.437 20 0 BDADLO CCC[C@@H](C)C[NH2+]Cc1nnc(COC)[nH]1 ZINC000657607540 411561310 /nfs/dbraw/zinc/56/13/10/411561310.db2.gz IGZOMSFJTVATKN-SECBINFHSA-N 1 2 226.324 1.477 20 0 BDADLO CC[C@H](C)C[NH2+]Cc1nnc(COC)[nH]1 ZINC000657607152 411561482 /nfs/dbraw/zinc/56/14/82/411561482.db2.gz DEZWYYMKLBANCM-QMMMGPOBSA-N 1 2 212.297 1.087 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CSC[C@@H]1C ZINC000309027727 170272644 /nfs/dbraw/zinc/27/26/44/170272644.db2.gz BUFWJLMCZRSTGR-GUBZILKMSA-N 1 2 231.361 1.669 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000037632092 170279839 /nfs/dbraw/zinc/27/98/39/170279839.db2.gz CIPAKIKEVIKGBI-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000037632092 170279840 /nfs/dbraw/zinc/27/98/40/170279840.db2.gz CIPAKIKEVIKGBI-CYBMUJFWSA-N 1 2 248.326 1.999 20 0 BDADLO COCc1nnc(C[NH2+]CC2CCCCC2)[nH]1 ZINC000657605671 411563880 /nfs/dbraw/zinc/56/38/80/411563880.db2.gz QCSJDWHWRZXKFY-UHFFFAOYSA-N 1 2 238.335 1.621 20 0 BDADLO CCOC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283043689 170311793 /nfs/dbraw/zinc/31/17/93/170311793.db2.gz JBOLKHAGIJAHEE-AATRIKPKSA-N 1 2 237.303 1.354 20 0 BDADLO CCOCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378409915 170340289 /nfs/dbraw/zinc/34/02/89/170340289.db2.gz FCCBRGNIPVBUTJ-SECBINFHSA-N 1 2 223.276 1.110 20 0 BDADLO CCOCC(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000361697520 170340491 /nfs/dbraw/zinc/34/04/91/170340491.db2.gz YNPMDFUNXLNMOJ-JTQLQIEISA-N 1 2 237.303 1.120 20 0 BDADLO CCOCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000121125203 170348367 /nfs/dbraw/zinc/34/83/67/170348367.db2.gz FNMICCIPCQRTIT-UHFFFAOYSA-N 1 2 222.288 1.982 20 0 BDADLO CCOCCCC(=O)Nc1cc[nH+]cc1O ZINC000109890499 170366780 /nfs/dbraw/zinc/36/67/80/170366780.db2.gz LSOKUDQZDHUGMK-UHFFFAOYSA-N 1 2 224.260 1.542 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 ZINC000660778253 411626496 /nfs/dbraw/zinc/62/64/96/411626496.db2.gz XSBURMGFTOTJOM-LBPRGKRZSA-N 1 2 238.335 1.238 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 ZINC000660778253 411626500 /nfs/dbraw/zinc/62/65/00/411626500.db2.gz XSBURMGFTOTJOM-LBPRGKRZSA-N 1 2 238.335 1.238 20 0 BDADLO CCc1nocc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000660780957 411628544 /nfs/dbraw/zinc/62/85/44/411628544.db2.gz QJOBHURMSRVZSH-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n[nH]1 ZINC000629949469 411630236 /nfs/dbraw/zinc/63/02/36/411630236.db2.gz ICBVEUVSGHWEDM-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO CCn1nccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000663349102 411633649 /nfs/dbraw/zinc/63/36/49/411633649.db2.gz FBBQEDYQYHUGFF-UHFFFAOYSA-N 1 2 245.330 1.336 20 0 BDADLO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1csnn1 ZINC000660805469 411640975 /nfs/dbraw/zinc/64/09/75/411640975.db2.gz CGNLOGBQOYYVKS-XPUUQOCRSA-N 1 2 249.286 1.613 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)co1 ZINC000660389358 411577824 /nfs/dbraw/zinc/57/78/24/411577824.db2.gz LHQVFVBWZNVOCJ-ZMLRMANQSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)co1 ZINC000660389358 411577826 /nfs/dbraw/zinc/57/78/26/411577826.db2.gz LHQVFVBWZNVOCJ-ZMLRMANQSA-N 1 2 249.314 1.069 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1CCCC1 ZINC000660420839 411583099 /nfs/dbraw/zinc/58/30/99/411583099.db2.gz KUGYQSKNXJSMLJ-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1CCCC1 ZINC000660420839 411583100 /nfs/dbraw/zinc/58/31/00/411583100.db2.gz KUGYQSKNXJSMLJ-UHFFFAOYSA-N 1 2 236.319 1.741 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@@H](C2CC2)O1 ZINC000660447722 411586331 /nfs/dbraw/zinc/58/63/31/411586331.db2.gz ZCYNKNRJQOSHDO-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@@H](C2CC2)O1 ZINC000660447722 411586333 /nfs/dbraw/zinc/58/63/33/411586333.db2.gz ZCYNKNRJQOSHDO-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO COc1ccsc1C[NH2+]Cc1ncccn1 ZINC000657734836 411587698 /nfs/dbraw/zinc/58/76/98/411587698.db2.gz LXFCXRMXVBSVHO-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CCc1ncc(C[NH2+][C@@H](C)c2nccn2C)cn1 ZINC000657794220 411599895 /nfs/dbraw/zinc/59/98/95/411599895.db2.gz VFUWPRKKVQRBBJ-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO CCCc1noc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660573689 411602335 /nfs/dbraw/zinc/60/23/35/411602335.db2.gz FNIIJECHERUYRP-UHFFFAOYSA-N 1 2 247.302 1.234 20 0 BDADLO Cc1cc(CN2CCn3c[nH+]cc3C2)no1 ZINC000660576582 411602469 /nfs/dbraw/zinc/60/24/69/411602469.db2.gz FCCMCUWKBNKAIM-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO CCc1nnc([C@@H](C)N2CCn3c[nH+]cc3C2)o1 ZINC000660578402 411602604 /nfs/dbraw/zinc/60/26/04/411602604.db2.gz PACNMSZUHDDXHW-SECBINFHSA-N 1 2 247.302 1.405 20 0 BDADLO Cc1noc([C@H](C)N2CCn3c[nH+]cc3C2)n1 ZINC000660580912 411602894 /nfs/dbraw/zinc/60/28/94/411602894.db2.gz VWMYDNSXIHMTBO-QMMMGPOBSA-N 1 2 233.275 1.151 20 0 BDADLO FC(F)(F)CN1CCn2c[nH+]cc2C1 ZINC000660580536 411603223 /nfs/dbraw/zinc/60/32/23/411603223.db2.gz QAUPWLHICIXBRF-UHFFFAOYSA-N 1 2 205.183 1.261 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCn2cncc2C1 ZINC000660577951 411603385 /nfs/dbraw/zinc/60/33/85/411603385.db2.gz KRAVTBRBOZOKSN-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCn2cncc2C1 ZINC000660577951 411603387 /nfs/dbraw/zinc/60/33/87/411603387.db2.gz KRAVTBRBOZOKSN-NSHDSACASA-N 1 2 228.299 1.855 20 0 BDADLO CCn1c[nH+]cc1CNc1nn(C)cc1C ZINC000657811521 411603768 /nfs/dbraw/zinc/60/37/68/411603768.db2.gz AUNRKMJMOINEFI-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO C[C@@](O)(CN1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000660584984 411604135 /nfs/dbraw/zinc/60/41/35/411604135.db2.gz WNBLGOHJGDHMFB-SECBINFHSA-N 1 2 249.236 1.012 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000657814876 411604144 /nfs/dbraw/zinc/60/41/44/411604144.db2.gz GGVIONWRPXVVKK-BXUZGUMPSA-N 1 2 245.326 1.930 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000657814880 411604235 /nfs/dbraw/zinc/60/42/35/411604235.db2.gz GGVIONWRPXVVKK-SMDDNHRTSA-N 1 2 245.326 1.930 20 0 BDADLO C[C@@H](NC(=O)NC1CCC1)c1[nH+]ccn1C ZINC000660611888 411606907 /nfs/dbraw/zinc/60/69/07/411606907.db2.gz VOLRKUCXPZQPJM-MRVPVSSYSA-N 1 2 222.292 1.333 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660643904 411611376 /nfs/dbraw/zinc/61/13/76/411611376.db2.gz FFOGLTMWQAFIPG-WDEREUQCSA-N 1 2 248.317 1.437 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660643904 411611377 /nfs/dbraw/zinc/61/13/77/411611377.db2.gz FFOGLTMWQAFIPG-WDEREUQCSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660647571 411612623 /nfs/dbraw/zinc/61/26/23/411612623.db2.gz FWEYEXLCPVDCMT-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@H]1COCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660647571 411612624 /nfs/dbraw/zinc/61/26/24/411612624.db2.gz FWEYEXLCPVDCMT-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC1(C)C ZINC000660652900 411613447 /nfs/dbraw/zinc/61/34/47/411613447.db2.gz WWXRQWASFFMAIY-SECBINFHSA-N 1 2 236.319 1.597 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC1(C)C ZINC000660652900 411613449 /nfs/dbraw/zinc/61/34/49/411613449.db2.gz WWXRQWASFFMAIY-SECBINFHSA-N 1 2 236.319 1.597 20 0 BDADLO Cn1ccnc1C[NH2+][C@H]1CCCn2nccc21 ZINC000657868821 411614135 /nfs/dbraw/zinc/61/41/35/411614135.db2.gz WPMLMMRCWCKGDR-JTQLQIEISA-N 1 2 231.303 1.241 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)CC(C)(C)CO)[nH]1 ZINC000660672337 411616235 /nfs/dbraw/zinc/61/62/35/411616235.db2.gz UEPOLVYAQRTNSH-SECBINFHSA-N 1 2 240.351 1.378 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)CC(C)(C)CO)[nH]1 ZINC000660672337 411616236 /nfs/dbraw/zinc/61/62/36/411616236.db2.gz UEPOLVYAQRTNSH-SECBINFHSA-N 1 2 240.351 1.378 20 0 BDADLO C[C@H]1Cc2[nH+]cn(CCc3c[nH]nn3)c2C[C@@H]1C ZINC000660671307 411616361 /nfs/dbraw/zinc/61/63/61/411616361.db2.gz GONXNSJRFCGHJT-UWVGGRQHSA-N 1 2 245.330 1.615 20 0 BDADLO CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H](F)C2)n1 ZINC000660692609 411617665 /nfs/dbraw/zinc/61/76/65/411617665.db2.gz QRXDPHQVLNCMAS-VIFPVBQESA-N 1 2 241.314 1.014 20 0 BDADLO CC(C)(C)n1nnc(CC[N@H+]2CC[C@H](F)C2)n1 ZINC000660692609 411617666 /nfs/dbraw/zinc/61/76/66/411617666.db2.gz QRXDPHQVLNCMAS-VIFPVBQESA-N 1 2 241.314 1.014 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCC2CCC2)C1 ZINC000660728509 411619472 /nfs/dbraw/zinc/61/94/72/411619472.db2.gz KJRVFDQIHUQUBF-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CCCC(C)(C)C)C1 ZINC000660728751 411619637 /nfs/dbraw/zinc/61/96/37/411619637.db2.gz SZDOEFIXVILZRU-UHFFFAOYSA-N 1 2 247.404 1.932 20 0 BDADLO COc1cc(CN(C)Cc2c[nH+]c[nH]2)on1 ZINC000661091961 411703345 /nfs/dbraw/zinc/70/33/45/411703345.db2.gz FOGRUCYRZLMDLS-UHFFFAOYSA-N 1 2 222.248 1.038 20 0 BDADLO COc1cc(CN(C)Cc2c[nH]c[nH+]2)on1 ZINC000661091961 411703348 /nfs/dbraw/zinc/70/33/48/411703348.db2.gz FOGRUCYRZLMDLS-UHFFFAOYSA-N 1 2 222.248 1.038 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ncnn1C(C)(C)C ZINC000661090271 411703749 /nfs/dbraw/zinc/70/37/49/411703749.db2.gz OPYRCGZDPDYIEU-UHFFFAOYSA-N 1 2 248.334 1.388 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ncnn1C(C)(C)C ZINC000661090271 411703755 /nfs/dbraw/zinc/70/37/55/411703755.db2.gz OPYRCGZDPDYIEU-UHFFFAOYSA-N 1 2 248.334 1.388 20 0 BDADLO CC(C)C[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842460 411652850 /nfs/dbraw/zinc/65/28/50/411652850.db2.gz PAVKBEBYMUHRDV-QMMMGPOBSA-N 1 2 213.281 1.642 20 0 BDADLO CC(C)C[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842460 411652853 /nfs/dbraw/zinc/65/28/53/411652853.db2.gz PAVKBEBYMUHRDV-QMMMGPOBSA-N 1 2 213.281 1.642 20 0 BDADLO CCc1ccc(C[N@H+](C)Cc2n[nH]c(=O)o2)nc1 ZINC000660841788 411653533 /nfs/dbraw/zinc/65/35/33/411653533.db2.gz IMGYWGHRQLUETB-UHFFFAOYSA-N 1 2 248.286 1.365 20 0 BDADLO CCc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)nc1 ZINC000660841788 411653538 /nfs/dbraw/zinc/65/35/38/411653538.db2.gz IMGYWGHRQLUETB-UHFFFAOYSA-N 1 2 248.286 1.365 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2n[nH]c(=O)o2)s1 ZINC000660845565 411656503 /nfs/dbraw/zinc/65/65/03/411656503.db2.gz RLZSOIDQDPPXFD-UHFFFAOYSA-N 1 2 240.288 1.172 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2n[nH]c(=O)o2)s1 ZINC000660845565 411656505 /nfs/dbraw/zinc/65/65/05/411656505.db2.gz RLZSOIDQDPPXFD-UHFFFAOYSA-N 1 2 240.288 1.172 20 0 BDADLO Cc1ccc(CC[N@@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000660846569 411658288 /nfs/dbraw/zinc/65/82/88/411658288.db2.gz HWHOPMYRRFEVAK-UHFFFAOYSA-N 1 2 247.298 1.758 20 0 BDADLO Cc1ccc(CC[N@H+](C)Cc2n[nH]c(=O)o2)cc1 ZINC000660846569 411658296 /nfs/dbraw/zinc/65/82/96/411658296.db2.gz HWHOPMYRRFEVAK-UHFFFAOYSA-N 1 2 247.298 1.758 20 0 BDADLO C[C@H](NC(=O)NC1CC(C)C1)c1[nH+]ccn1C ZINC000660880571 411660784 /nfs/dbraw/zinc/66/07/84/411660784.db2.gz GWCIQQDSJBLANB-KYHHOPLUSA-N 1 2 236.319 1.579 20 0 BDADLO O[C@]1(C[N@@H+]2CCCC(F)(F)C2)CCCOC1 ZINC000660910849 411669436 /nfs/dbraw/zinc/66/94/36/411669436.db2.gz BWNMTCNOLYHLSX-JTQLQIEISA-N 1 2 235.274 1.259 20 0 BDADLO O[C@]1(C[N@H+]2CCCC(F)(F)C2)CCCOC1 ZINC000660910849 411669440 /nfs/dbraw/zinc/66/94/40/411669440.db2.gz BWNMTCNOLYHLSX-JTQLQIEISA-N 1 2 235.274 1.259 20 0 BDADLO CC1(C(=O)Nc2ccn3cc[nH+]c3c2)COC1 ZINC000660962769 411687228 /nfs/dbraw/zinc/68/72/28/411687228.db2.gz RNSHSPNTHWTBJY-UHFFFAOYSA-N 1 2 231.255 1.309 20 0 BDADLO CCCCc1noc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661084986 411697376 /nfs/dbraw/zinc/69/73/76/411697376.db2.gz WKEOQHIVQWYLMD-UHFFFAOYSA-N 1 2 249.318 1.767 20 0 BDADLO CCCCc1noc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661084986 411697377 /nfs/dbraw/zinc/69/73/77/411697377.db2.gz WKEOQHIVQWYLMD-UHFFFAOYSA-N 1 2 249.318 1.767 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000661087639 411699898 /nfs/dbraw/zinc/69/98/98/411699898.db2.gz WMWMZEZIRDLSOR-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2cnc[nH]2)c1 ZINC000661087639 411699902 /nfs/dbraw/zinc/69/99/02/411699902.db2.gz WMWMZEZIRDLSOR-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1cnn(CC[N@@H+](C)Cc2c[nH]cn2)c1 ZINC000661087639 411699905 /nfs/dbraw/zinc/69/99/05/411699905.db2.gz WMWMZEZIRDLSOR-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO Cc1cnn(CC[N@H+](C)Cc2c[nH]cn2)c1 ZINC000661087639 411699906 /nfs/dbraw/zinc/69/99/06/411699906.db2.gz WMWMZEZIRDLSOR-UHFFFAOYSA-N 1 2 219.292 1.047 20 0 BDADLO CC/C=C/CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661261118 411744692 /nfs/dbraw/zinc/74/46/92/411744692.db2.gz BNKWBWXOAVYCKV-SNAWJCMRSA-N 1 2 222.292 1.517 20 0 BDADLO CC/C=C/CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661261118 411744697 /nfs/dbraw/zinc/74/46/97/411744697.db2.gz BNKWBWXOAVYCKV-SNAWJCMRSA-N 1 2 222.292 1.517 20 0 BDADLO CCN(CCO)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071552000 411746461 /nfs/dbraw/zinc/74/64/61/411746461.db2.gz GGBHBOGPQLTQKW-UHFFFAOYSA-N 1 2 247.298 1.097 20 0 BDADLO CCc1cc(NCC[C@@H](O)C(F)F)nc[nH+]1 ZINC000631459922 411769291 /nfs/dbraw/zinc/76/92/91/411769291.db2.gz KHOBBKWWNWOAPO-MRVPVSSYSA-N 1 2 231.246 1.467 20 0 BDADLO COCC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399536 411769559 /nfs/dbraw/zinc/76/95/59/411769559.db2.gz KGDAJULBYCONPZ-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399536 411769562 /nfs/dbraw/zinc/76/95/62/411769562.db2.gz KGDAJULBYCONPZ-IUCAKERBSA-N 1 2 223.263 1.113 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000521996445 411769837 /nfs/dbraw/zinc/76/98/37/411769837.db2.gz MWZWZPYHXMCBGJ-ILWJIGKKSA-N 1 2 233.319 1.456 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000521996445 411769842 /nfs/dbraw/zinc/76/98/42/411769842.db2.gz MWZWZPYHXMCBGJ-ILWJIGKKSA-N 1 2 233.319 1.456 20 0 BDADLO C[C@@H]([NH2+]CC(=O)N1CCC1)c1cscn1 ZINC000661419311 411772212 /nfs/dbraw/zinc/77/22/12/411772212.db2.gz DIVWSFMWCBHVLM-MRVPVSSYSA-N 1 2 225.317 1.026 20 0 BDADLO NC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440931 411779092 /nfs/dbraw/zinc/77/90/92/411779092.db2.gz VSOLVYPKOGHPMX-GFCCVEGCSA-N 1 2 234.299 1.682 20 0 BDADLO NC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440931 411779094 /nfs/dbraw/zinc/77/90/94/411779094.db2.gz VSOLVYPKOGHPMX-GFCCVEGCSA-N 1 2 234.299 1.682 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661465359 411782896 /nfs/dbraw/zinc/78/28/96/411782896.db2.gz AHYUOGADNAYNNZ-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661465359 411782899 /nfs/dbraw/zinc/78/28/99/411782899.db2.gz AHYUOGADNAYNNZ-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@H]1C ZINC000663946367 411786248 /nfs/dbraw/zinc/78/62/48/411786248.db2.gz KHULNJDPUYMEDU-UWVGGRQHSA-N 1 2 229.287 1.507 20 0 BDADLO Cc1cc(N[C@H](C)c2cnccn2)nc[nH+]1 ZINC000663957490 411790660 /nfs/dbraw/zinc/79/06/60/411790660.db2.gz NNTBIEWVKDSBIT-SECBINFHSA-N 1 2 215.260 1.748 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509401 411791371 /nfs/dbraw/zinc/79/13/71/411791371.db2.gz CDOOTMBRCTZKKI-NWDGAFQWSA-N 1 2 236.290 1.836 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661509401 411791374 /nfs/dbraw/zinc/79/13/74/411791374.db2.gz CDOOTMBRCTZKKI-NWDGAFQWSA-N 1 2 236.290 1.836 20 0 BDADLO C[C@]1(C2CC2)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000661170130 411726403 /nfs/dbraw/zinc/72/64/03/411726403.db2.gz HWVKPQDSEIECRG-GFCCVEGCSA-N 1 2 221.304 1.411 20 0 BDADLO COc1cncc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)c1 ZINC000661538378 411797892 /nfs/dbraw/zinc/79/78/92/411797892.db2.gz IWFXRPFMBCYTEC-GHMZBOCLSA-N 1 2 248.326 1.747 20 0 BDADLO Cc1cncc(CC[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)n1 ZINC000661539144 411798540 /nfs/dbraw/zinc/79/85/40/411798540.db2.gz NYJIDMGSMQFSPZ-GHMZBOCLSA-N 1 2 247.342 1.484 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccnn2C)C[C@@H](C)C1=O ZINC000661545055 411799974 /nfs/dbraw/zinc/79/99/74/411799974.db2.gz PUNQCLLZGSPNPI-NXEZZACHSA-N 1 2 221.304 1.077 20 0 BDADLO O=c1cc[nH]c(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000664010123 411811939 /nfs/dbraw/zinc/81/19/39/411811939.db2.gz UQPAKPVYYSUNNO-UHFFFAOYSA-N 1 2 242.282 1.654 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C12CCC2 ZINC000661838719 411899003 /nfs/dbraw/zinc/89/90/03/411899003.db2.gz OAZLRZLQTMHULG-VHSXEESVSA-N 1 2 249.314 1.340 20 0 BDADLO CCc1nc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)no1 ZINC000661835033 411899594 /nfs/dbraw/zinc/89/95/94/411899594.db2.gz IJIVYLCWMOJSQL-DTWKUNHWSA-N 1 2 237.303 1.025 20 0 BDADLO Cc1nc(N2CCC[C@H](C)[C@H]2CCO)cc[nH+]1 ZINC000664284703 411912388 /nfs/dbraw/zinc/91/23/88/411912388.db2.gz BJYJOQJBQDGETB-CMPLNLGQSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nnc(CN(C)c2cc[nH+]c(C)n2)o1 ZINC000664295625 411914763 /nfs/dbraw/zinc/91/47/63/411914763.db2.gz DCBPRKNBBPLPMI-UHFFFAOYSA-N 1 2 219.248 1.113 20 0 BDADLO Cc1nc(N(C)CC2=CCCOC2)cc[nH+]1 ZINC000664365930 411927452 /nfs/dbraw/zinc/92/74/52/411927452.db2.gz SHEPXHRPFBRWDI-UHFFFAOYSA-N 1 2 219.288 1.568 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC(C)(C)F ZINC000664371244 411932349 /nfs/dbraw/zinc/93/23/49/411932349.db2.gz IVCNCSYPXWAGHJ-UHFFFAOYSA-N 1 2 228.271 1.618 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC(C)(C)F ZINC000664371244 411932352 /nfs/dbraw/zinc/93/23/52/411932352.db2.gz IVCNCSYPXWAGHJ-UHFFFAOYSA-N 1 2 228.271 1.618 20 0 BDADLO C[C@@H]1C[C@H](Nc2cccc[nH+]2)c2ncnn21 ZINC000664181869 411882619 /nfs/dbraw/zinc/88/26/19/411882619.db2.gz HHBQKWLKYAXBKV-BDAKNGLRSA-N 1 2 215.260 1.791 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cccc[nH+]2)c2ncnn21 ZINC000664181874 411882726 /nfs/dbraw/zinc/88/27/26/411882726.db2.gz HHBQKWLKYAXBKV-RKDXNWHRSA-N 1 2 215.260 1.791 20 0 BDADLO Cn1cnnc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662047640 411963897 /nfs/dbraw/zinc/96/38/97/411963897.db2.gz ICGTYIUYGOEIGN-UHFFFAOYSA-N 1 2 247.302 1.183 20 0 BDADLO CN1CCN(c2cc[nH+]c(C3CC3)n2)CCC1=O ZINC000664463874 411964200 /nfs/dbraw/zinc/96/42/00/411964200.db2.gz YIUQPIPBXNQTHT-UHFFFAOYSA-N 1 2 246.314 1.023 20 0 BDADLO c1cc(N2CC[C@H]3COC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000664555625 411986047 /nfs/dbraw/zinc/98/60/47/411986047.db2.gz GXHLABREGNPWPC-NWDGAFQWSA-N 1 2 245.326 1.827 20 0 BDADLO Cc1ccc(C[N@@H+]2CCc3nccnc3C2)cn1 ZINC000662119913 411992139 /nfs/dbraw/zinc/99/21/39/411992139.db2.gz ZTAOGIWJZYLVAG-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ccc(C[N@H+]2CCc3nccnc3C2)cn1 ZINC000662119913 411992141 /nfs/dbraw/zinc/99/21/41/411992141.db2.gz ZTAOGIWJZYLVAG-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000664604974 411996819 /nfs/dbraw/zinc/99/68/19/411996819.db2.gz MDDUIZZWKUYJPT-SKDRFNHKSA-N 1 2 219.288 1.943 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662144709 412006907 /nfs/dbraw/zinc/00/69/07/412006907.db2.gz UBWUOLNKNZCLQD-KKZNHRDASA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662144709 412006911 /nfs/dbraw/zinc/00/69/11/412006911.db2.gz UBWUOLNKNZCLQD-KKZNHRDASA-N 1 2 241.360 1.549 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC000664419791 411949145 /nfs/dbraw/zinc/94/91/45/411949145.db2.gz VLELOFPTNMFHMF-MFKMUULPSA-N 1 2 249.314 1.266 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000664438237 411958500 /nfs/dbraw/zinc/95/85/00/411958500.db2.gz FPDJABYAUMWFPU-ZYHUDNBSSA-N 1 2 245.326 1.923 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)no1 ZINC000662039978 411958552 /nfs/dbraw/zinc/95/85/52/411958552.db2.gz QBGMZCODNJXAGM-ZJUUUORDSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)no1 ZINC000662039978 411958555 /nfs/dbraw/zinc/95/85/55/411958555.db2.gz QBGMZCODNJXAGM-ZJUUUORDSA-N 1 2 237.303 1.100 20 0 BDADLO Cc1nc(N2CCC(C)(F)CC2)nc(N)[nH+]1 ZINC000631514145 411960768 /nfs/dbraw/zinc/96/07/68/411960768.db2.gz CEUZZGVMCZFMHZ-UHFFFAOYSA-N 1 2 225.271 1.091 20 0 BDADLO Cc1nc(N)nc(N2CCC(C)(F)CC2)[nH+]1 ZINC000631514145 411960773 /nfs/dbraw/zinc/96/07/73/411960773.db2.gz CEUZZGVMCZFMHZ-UHFFFAOYSA-N 1 2 225.271 1.091 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000664824649 412026045 /nfs/dbraw/zinc/02/60/45/412026045.db2.gz PISPZJCPFNHIQN-MYJAWHEDSA-N 1 2 244.298 1.907 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)C(C)C)s1 ZINC000662256400 412051796 /nfs/dbraw/zinc/05/17/96/412051796.db2.gz VQLOKFRILZBZHS-SECBINFHSA-N 1 2 229.349 1.295 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H](O)C(C)C)s1 ZINC000662256400 412051797 /nfs/dbraw/zinc/05/17/97/412051797.db2.gz VQLOKFRILZBZHS-SECBINFHSA-N 1 2 229.349 1.295 20 0 BDADLO COCC[C@@H](C)[N@H+](C)Cc1nnc(C)s1 ZINC000662261530 412053858 /nfs/dbraw/zinc/05/38/58/412053858.db2.gz ZOHOIQARPXXPMJ-MRVPVSSYSA-N 1 2 229.349 1.703 20 0 BDADLO COCC[C@@H](C)[N@@H+](C)Cc1nnc(C)s1 ZINC000662261530 412053861 /nfs/dbraw/zinc/05/38/61/412053861.db2.gz ZOHOIQARPXXPMJ-MRVPVSSYSA-N 1 2 229.349 1.703 20 0 BDADLO Cc1noc(C[N@H+](C)CC2=CCSC2)n1 ZINC000662264338 412056568 /nfs/dbraw/zinc/05/65/68/412056568.db2.gz QIEYUOLQWIBHQN-UHFFFAOYSA-N 1 2 225.317 1.483 20 0 BDADLO Cc1noc(C[N@@H+](C)CC2=CCSC2)n1 ZINC000662264338 412056570 /nfs/dbraw/zinc/05/65/70/412056570.db2.gz QIEYUOLQWIBHQN-UHFFFAOYSA-N 1 2 225.317 1.483 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)O1 ZINC000330923700 171030002 /nfs/dbraw/zinc/03/00/02/171030002.db2.gz DRHUZAZNMMSDTO-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000284005752 171060321 /nfs/dbraw/zinc/06/03/21/171060321.db2.gz NTFQOOQFBZOILS-KOBKQOIESA-N 1 2 249.314 1.449 20 0 BDADLO CC[C@@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000283984746 171082986 /nfs/dbraw/zinc/08/29/86/171082986.db2.gz JBEDTMBPDOYTHT-LLVKDONJSA-N 1 2 226.345 1.796 20 0 BDADLO CC[C@@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000283984746 171082989 /nfs/dbraw/zinc/08/29/89/171082989.db2.gz JBEDTMBPDOYTHT-LLVKDONJSA-N 1 2 226.345 1.796 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(CO)o2)C[C@@H](C)O1 ZINC000245553174 171088617 /nfs/dbraw/zinc/08/86/17/171088617.db2.gz DZWKUFYFKJUHTJ-GHMZBOCLSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@@H](C)O1 ZINC000245553174 171088620 /nfs/dbraw/zinc/08/86/20/171088620.db2.gz DZWKUFYFKJUHTJ-GHMZBOCLSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@@H](C)O1 ZINC000245565743 171088735 /nfs/dbraw/zinc/08/87/35/171088735.db2.gz SDANWAGWDPYHNX-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@H](C)O1 ZINC000245565743 171088738 /nfs/dbraw/zinc/08/87/38/171088738.db2.gz SDANWAGWDPYHNX-MWLCHTKSSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2n[nH]cc2C)CCO1 ZINC000290500936 171091489 /nfs/dbraw/zinc/09/14/89/171091489.db2.gz SLICQGKEJWATSB-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2n[nH]cc2C)CCO1 ZINC000290500936 171091493 /nfs/dbraw/zinc/09/14/93/171091493.db2.gz SLICQGKEJWATSB-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)n2C)CCCO1 ZINC000336725192 171091531 /nfs/dbraw/zinc/09/15/31/171091531.db2.gz PTYWPMQEVSLWPK-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)n2C)CCCO1 ZINC000336725192 171091533 /nfs/dbraw/zinc/09/15/33/171091533.db2.gz PTYWPMQEVSLWPK-LLVKDONJSA-N 1 2 238.335 1.124 20 0 BDADLO CC[C@@H]1COCCN1Cc1[nH+]ccn1C ZINC000115573139 171108039 /nfs/dbraw/zinc/10/80/39/171108039.db2.gz QPFIRIYWCBQDPJ-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1C[C@@H](C[N@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777040 171120331 /nfs/dbraw/zinc/12/03/31/171120331.db2.gz JTBHAZLBVVKSMD-WDEREUQCSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2nnc[nH]2)CCO1 ZINC000330777040 171120332 /nfs/dbraw/zinc/12/03/32/171120332.db2.gz JTBHAZLBVVKSMD-WDEREUQCSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@@H]1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CCO1 ZINC000330788430 171126410 /nfs/dbraw/zinc/12/64/10/171126410.db2.gz YPAZROLWGVIKGB-NXEZZACHSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000280624116 171137277 /nfs/dbraw/zinc/13/72/77/171137277.db2.gz BURSATPYNSJPGG-RKDXNWHRSA-N 1 2 222.292 1.018 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000278473389 171163957 /nfs/dbraw/zinc/16/39/57/171163957.db2.gz XAARWDBWXXXJDR-ITKZLYELSA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374647963 171249026 /nfs/dbraw/zinc/24/90/26/171249026.db2.gz PEWQXNXUULAMAV-VIFPVBQESA-N 1 2 221.304 1.580 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000340959549 171270655 /nfs/dbraw/zinc/27/06/55/171270655.db2.gz QPDMZQACAWCFSK-RYUDHWBXSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@H](C)C[S@@](=O)Cc1c[nH+]cn1C ZINC000268186983 171300209 /nfs/dbraw/zinc/30/02/09/171300209.db2.gz UZBNJXSIIOKJHC-LKFCYVNXSA-N 1 2 214.334 1.715 20 0 BDADLO CC[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000339177007 171301647 /nfs/dbraw/zinc/30/16/47/171301647.db2.gz XWIJIGQWIXNFCY-JTQLQIEISA-N 1 2 223.320 1.610 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cncs1 ZINC000281383408 171312603 /nfs/dbraw/zinc/31/26/03/171312603.db2.gz WHMUTGGBCKNMRH-VIFPVBQESA-N 1 2 242.344 1.917 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cncs1 ZINC000281383408 171312605 /nfs/dbraw/zinc/31/26/05/171312605.db2.gz WHMUTGGBCKNMRH-VIFPVBQESA-N 1 2 242.344 1.917 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1noc(C(C)C)n1 ZINC000336695071 171315118 /nfs/dbraw/zinc/31/51/18/171315118.db2.gz IKUZHNOFDTZDJR-JTQLQIEISA-N 1 2 241.335 1.786 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1noc(C(C)C)n1 ZINC000336695071 171315119 /nfs/dbraw/zinc/31/51/19/171315119.db2.gz IKUZHNOFDTZDJR-JTQLQIEISA-N 1 2 241.335 1.786 20 0 BDADLO CC[C@H](C)NC(=O)CCNc1cc(C)[nH+]cn1 ZINC000040727346 171323752 /nfs/dbraw/zinc/32/37/52/171323752.db2.gz DVHAKTWNKZCRDV-VIFPVBQESA-N 1 2 236.319 1.502 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000309850403 171374351 /nfs/dbraw/zinc/37/43/51/171374351.db2.gz XMKZVAKDQYVXIW-HBNTYKKESA-N 1 2 231.336 1.181 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339089632 171386106 /nfs/dbraw/zinc/38/61/06/171386106.db2.gz ALSWYXSIZPVULN-QWRGUYRKSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1nc(-c2noc(Cn3cc[nH+]c3)n2)[nH]c1C ZINC000665090817 412088110 /nfs/dbraw/zinc/08/81/10/412088110.db2.gz VZBUHQOCLPZDDK-UHFFFAOYSA-N 1 2 244.258 1.321 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCCC1 ZINC000665130243 412105825 /nfs/dbraw/zinc/10/58/25/412105825.db2.gz UELKRUMMUBJVTM-GHMZBOCLSA-N 1 2 233.315 1.582 20 0 BDADLO CC(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665129385 412106335 /nfs/dbraw/zinc/10/63/35/412106335.db2.gz WWQPZNOXDSETQK-NXEZZACHSA-N 1 2 221.304 1.296 20 0 BDADLO COCCOc1ccc(-c2[nH+]ccn2C)cc1N ZINC000665181044 412121343 /nfs/dbraw/zinc/12/13/43/412121343.db2.gz KBLIURROVRSJHT-UHFFFAOYSA-N 1 2 247.298 1.695 20 0 BDADLO C[C@H]1C[C@H](Nc2nccn(C)c2=O)c2[nH+]ccn21 ZINC000621324871 412269172 /nfs/dbraw/zinc/26/91/72/412269172.db2.gz CYLFDIULLXJELT-IUCAKERBSA-N 1 2 245.286 1.095 20 0 BDADLO CC[C@H](OC)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049423869 171587944 /nfs/dbraw/zinc/58/79/44/171587944.db2.gz PLLKBLHSDPYFSR-JTQLQIEISA-N 1 2 237.303 1.511 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2C[C@H](C(N)=O)C2)cc[nH+]1 ZINC000624541153 412239229 /nfs/dbraw/zinc/23/92/29/412239229.db2.gz QVLFECWAQPZIQZ-DTORHVGOSA-N 1 2 248.330 1.450 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000339163686 171675828 /nfs/dbraw/zinc/67/58/28/171675828.db2.gz FBLCFMPMRYKWNA-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc2ccccn2n1 ZINC000520859797 412325297 /nfs/dbraw/zinc/32/52/97/412325297.db2.gz HHAYRUYJDWOMGT-UHFFFAOYSA-N 1 2 241.254 1.170 20 0 BDADLO COC(=O)c1cnc(N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000603378918 412347156 /nfs/dbraw/zinc/34/71/56/412347156.db2.gz FUYBUFLRJLFBGP-SSDOTTSWSA-N 1 2 247.258 1.159 20 0 BDADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000662943478 412351481 /nfs/dbraw/zinc/35/14/81/412351481.db2.gz QVNDYKKPGSDDDJ-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO CCO[C@@H]1CCC[N@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000662943478 412351486 /nfs/dbraw/zinc/35/14/86/412351486.db2.gz QVNDYKKPGSDDDJ-MWLCHTKSSA-N 1 2 238.335 1.675 20 0 BDADLO COC(C)(C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000489969038 412353049 /nfs/dbraw/zinc/35/30/49/412353049.db2.gz VKYWJTAYACRNFN-UHFFFAOYSA-N 1 2 239.323 1.083 20 0 BDADLO COC(C)(C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489969038 412353052 /nfs/dbraw/zinc/35/30/52/412353052.db2.gz VKYWJTAYACRNFN-UHFFFAOYSA-N 1 2 239.323 1.083 20 0 BDADLO CCc1cc(NC[C@@H]2CCOC2)nc[nH+]1 ZINC000040765220 171766583 /nfs/dbraw/zinc/76/65/83/171766583.db2.gz VGVJRNOKMBWSJP-VIFPVBQESA-N 1 2 207.277 1.487 20 0 BDADLO CCc1ccc(C[NH2+][C@@H](C)c2nncn2C)cn1 ZINC000352825575 171809522 /nfs/dbraw/zinc/80/95/22/171809522.db2.gz SKDVVDCDOCZXQU-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO CCc1[nH+]c(C)ccc1OCc1cnnn1C ZINC000289357854 171963688 /nfs/dbraw/zinc/96/36/88/171963688.db2.gz IIDAFSYOVDHVDX-UHFFFAOYSA-N 1 2 232.287 1.660 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)[nH]1 ZINC000271575175 172002118 /nfs/dbraw/zinc/00/21/18/172002118.db2.gz WFUMUKKGKKYHHX-RKDXNWHRSA-N 1 2 248.334 1.512 20 0 BDADLO CCc1nc([C@H](C)[NH2+][C@@H](CC)C(N)=O)cs1 ZINC000112547169 172007988 /nfs/dbraw/zinc/00/79/88/172007988.db2.gz CQLCMMWDDVWMKJ-YUMQZZPRSA-N 1 2 241.360 1.620 20 0 BDADLO CCc1ncsc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000132316041 172036073 /nfs/dbraw/zinc/03/60/73/172036073.db2.gz UOYIPFDUGNHOFP-VIFPVBQESA-N 1 2 239.344 1.738 20 0 BDADLO CCc1ncsc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000132316041 172036076 /nfs/dbraw/zinc/03/60/76/172036076.db2.gz UOYIPFDUGNHOFP-VIFPVBQESA-N 1 2 239.344 1.738 20 0 BDADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366512232 172037737 /nfs/dbraw/zinc/03/77/37/172037737.db2.gz ABYOKZSRERBYLP-UONOGXRCSA-N 1 2 249.358 1.518 20 0 BDADLO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366512232 172037738 /nfs/dbraw/zinc/03/77/38/172037738.db2.gz ABYOKZSRERBYLP-UONOGXRCSA-N 1 2 249.358 1.518 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1cocn1 ZINC000179085596 172038206 /nfs/dbraw/zinc/03/82/06/172038206.db2.gz FHPVPLAMKNSJAR-UHFFFAOYSA-N 1 2 248.330 1.823 20 0 BDADLO CCc1nn(C)c(Cl)c1C[NH2+]CCF ZINC000280663922 172038831 /nfs/dbraw/zinc/03/88/31/172038831.db2.gz LKYWFZSWWMJVFS-UHFFFAOYSA-N 1 2 219.691 1.695 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCO[C@H](CC)C2)o1 ZINC000331601818 172050868 /nfs/dbraw/zinc/05/08/68/172050868.db2.gz HTPFSTLXTRBDIS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+]2CCCO[C@H](CC)C2)o1 ZINC000331601818 172050869 /nfs/dbraw/zinc/05/08/69/172050869.db2.gz HTPFSTLXTRBDIS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2cn[nH]c2)s1 ZINC000309636291 172054165 /nfs/dbraw/zinc/05/41/65/172054165.db2.gz JNBAABVKUOQDPE-ZETCQYMHSA-N 1 2 237.332 1.674 20 0 BDADLO CCc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000299492095 172058292 /nfs/dbraw/zinc/05/82/92/172058292.db2.gz JRONRDGMDLQPSK-ZETCQYMHSA-N 1 2 240.332 1.133 20 0 BDADLO CCc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000299492095 172058293 /nfs/dbraw/zinc/05/82/93/172058293.db2.gz JRONRDGMDLQPSK-ZETCQYMHSA-N 1 2 240.332 1.133 20 0 BDADLO CCc1nnc(SCCCn2cc[nH+]c2)[nH]1 ZINC000185507335 172062432 /nfs/dbraw/zinc/06/24/32/172062432.db2.gz BYGSJDQEOZQFJU-UHFFFAOYSA-N 1 2 237.332 1.746 20 0 BDADLO CCc1nc(SCCCn2cc[nH+]c2)n[nH]1 ZINC000185507335 172062429 /nfs/dbraw/zinc/06/24/29/172062429.db2.gz BYGSJDQEOZQFJU-UHFFFAOYSA-N 1 2 237.332 1.746 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H](C)OC)o1 ZINC000353206894 172064414 /nfs/dbraw/zinc/06/44/14/172064414.db2.gz SWWBKBJWTBDROD-RKDXNWHRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H](C)OC)o1 ZINC000353206894 172064418 /nfs/dbraw/zinc/06/44/18/172064418.db2.gz SWWBKBJWTBDROD-RKDXNWHRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCCOCC2)o1 ZINC000408130588 172065026 /nfs/dbraw/zinc/06/50/26/172065026.db2.gz VSONTCMFILSQHC-VIFPVBQESA-N 1 2 225.292 1.415 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCCOCC2)o1 ZINC000408130588 172065028 /nfs/dbraw/zinc/06/50/28/172065028.db2.gz VSONTCMFILSQHC-VIFPVBQESA-N 1 2 225.292 1.415 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CC2(CO)CC2)o1 ZINC000331993953 172065867 /nfs/dbraw/zinc/06/58/67/172065867.db2.gz UUQCYUWHJZVPHI-VIFPVBQESA-N 1 2 239.319 1.397 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CC2(CO)CC2)o1 ZINC000331993953 172065868 /nfs/dbraw/zinc/06/58/68/172065868.db2.gz UUQCYUWHJZVPHI-VIFPVBQESA-N 1 2 239.319 1.397 20 0 BDADLO CCc1nnc([C@H]([NH3+])c2ccccc2)o1 ZINC000011586795 172067684 /nfs/dbraw/zinc/06/76/84/172067684.db2.gz CKCRZYJDGLPJKF-SNVBAGLBSA-N 1 2 203.245 1.680 20 0 BDADLO CCc1noc(C)c1C[NH+]1CCOCC1 ZINC000161994197 172076884 /nfs/dbraw/zinc/07/68/84/172076884.db2.gz KUFVVCQIVYDZDT-UHFFFAOYSA-N 1 2 210.277 1.378 20 0 BDADLO CCc1noc(C)c1CNCc1[nH+]cc(C)n1C ZINC000339437458 172078644 /nfs/dbraw/zinc/07/86/44/172078644.db2.gz RXLFEKZFBWDKLA-UHFFFAOYSA-N 1 2 248.330 1.877 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1ncc(C)n1C ZINC000339437458 172078647 /nfs/dbraw/zinc/07/86/47/172078647.db2.gz RXLFEKZFBWDKLA-UHFFFAOYSA-N 1 2 248.330 1.877 20 0 BDADLO CCc1noc(CC)c1C[NH2+]Cc1ncc[nH]1 ZINC000088745856 172083433 /nfs/dbraw/zinc/08/34/33/172083433.db2.gz CRNFNQREVPFBPV-UHFFFAOYSA-N 1 2 234.303 1.812 20 0 BDADLO CCc1noc(CC)c1CNCc1[nH]cc[nH+]1 ZINC000088745856 172083435 /nfs/dbraw/zinc/08/34/35/172083435.db2.gz CRNFNQREVPFBPV-UHFFFAOYSA-N 1 2 234.303 1.812 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)C[C@H]2CCCO2)n1 ZINC000330449417 172090368 /nfs/dbraw/zinc/09/03/68/172090368.db2.gz HMMHURKDDQFEFD-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000330449417 172090369 /nfs/dbraw/zinc/09/03/69/172090369.db2.gz HMMHURKDDQFEFD-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000273403950 172091577 /nfs/dbraw/zinc/09/15/77/172091577.db2.gz RKCYMXDRIOFCFF-IUCAKERBSA-N 1 2 249.318 1.777 20 0 BDADLO CCc1oc(C(=O)N2CC[NH+](C)CC2)cc1C ZINC000334413773 172109445 /nfs/dbraw/zinc/10/94/45/172109445.db2.gz MOEMIWHBFWSRON-UHFFFAOYSA-N 1 2 236.315 1.538 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cccnc2)cn1 ZINC000072981061 172162477 /nfs/dbraw/zinc/16/24/77/172162477.db2.gz HUPBRCZFTGBUCZ-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC000072981061 172162480 /nfs/dbraw/zinc/16/24/80/172162480.db2.gz HUPBRCZFTGBUCZ-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000360338927 172165731 /nfs/dbraw/zinc/16/57/31/172165731.db2.gz VUKLFXZVJKLECY-GFCCVEGCSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cn1 ZINC000360338927 172165732 /nfs/dbraw/zinc/16/57/32/172165732.db2.gz VUKLFXZVJKLECY-GFCCVEGCSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cn1 ZINC000360338927 172165733 /nfs/dbraw/zinc/16/57/33/172165733.db2.gz VUKLFXZVJKLECY-GFCCVEGCSA-N 1 2 245.330 1.963 20 0 BDADLO CCn1cc(C[NH2+]Cc2[nH]ncc2C)cn1 ZINC000289431896 172171390 /nfs/dbraw/zinc/17/13/90/172171390.db2.gz DVATXYDOFWCTQB-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO CCn1cc(C[NH2+]Cc2n[nH]cc2C)cn1 ZINC000289431896 172171393 /nfs/dbraw/zinc/17/13/93/172171393.db2.gz DVATXYDOFWCTQB-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO CCn1cc(N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000279096485 172188239 /nfs/dbraw/zinc/18/82/39/172188239.db2.gz UUEOSDKLMSDMGL-MRVPVSSYSA-N 1 2 205.265 1.799 20 0 BDADLO CCn1cc(OCc2c[nH+]cn2C)cn1 ZINC000228134775 172190855 /nfs/dbraw/zinc/19/08/55/172190855.db2.gz IARPOOXKFDUDSL-UHFFFAOYSA-N 1 2 206.249 1.216 20 0 BDADLO CCn1cc([C@@H](C)NC(=O)c2c[nH+]c(C)[nH]2)cn1 ZINC000297295489 172193314 /nfs/dbraw/zinc/19/33/14/172193314.db2.gz XLZZNEVSRWUAAB-MRVPVSSYSA-N 1 2 247.302 1.426 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@@H]1COC ZINC000339283663 172221268 /nfs/dbraw/zinc/22/12/68/172221268.db2.gz NUPXQJHQLMHOMO-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@@H]1COC ZINC000339283663 172221270 /nfs/dbraw/zinc/22/12/70/172221270.db2.gz NUPXQJHQLMHOMO-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC=CCC1 ZINC000295567528 172221808 /nfs/dbraw/zinc/22/18/08/172221808.db2.gz FZOMJAGVQHALLW-NSHDSACASA-N 1 2 233.315 1.876 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C ZINC000298407140 172222013 /nfs/dbraw/zinc/22/20/13/172222013.db2.gz KKMGLIVHUBZHHQ-SNVBAGLBSA-N 1 2 236.319 1.597 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC1CCC1 ZINC000296531722 172222030 /nfs/dbraw/zinc/22/20/30/172222030.db2.gz IGKVWJNJPDOIJV-UHFFFAOYSA-N 1 2 236.319 1.502 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000366383158 172222192 /nfs/dbraw/zinc/22/21/92/172222192.db2.gz ZCZAEQWUZRJJOD-AAEUAGOBSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000295584833 172222702 /nfs/dbraw/zinc/22/27/02/172222702.db2.gz HFPJCOBWNYIOMS-GHMZBOCLSA-N 1 2 235.331 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC=C(C)CC1 ZINC000298017088 172223073 /nfs/dbraw/zinc/22/30/73/172223073.db2.gz FKVCAVYNOHZWSW-UHFFFAOYSA-N 1 2 248.330 1.765 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1CC(C)C1 ZINC000296444893 172223120 /nfs/dbraw/zinc/22/31/20/172223120.db2.gz MZSMQQIGFZKBHL-UHFFFAOYSA-N 1 2 236.319 1.501 20 0 BDADLO CCn1cnnc1CNc1cc[nH+]c(C)n1 ZINC000230899863 172236085 /nfs/dbraw/zinc/23/60/85/172236085.db2.gz IGCRGSBGTYMEIW-UHFFFAOYSA-N 1 2 218.264 1.009 20 0 BDADLO CCn1cnnc1[C@@H]1C[N@@H+](C2CCC2)CCO1 ZINC000365712515 172239256 /nfs/dbraw/zinc/23/92/56/172239256.db2.gz OBHACSJSABJNPG-NSHDSACASA-N 1 2 236.319 1.224 20 0 BDADLO CCn1cnnc1[C@@H]1C[N@H+](C2CCC2)CCO1 ZINC000365712515 172239257 /nfs/dbraw/zinc/23/92/57/172239257.db2.gz OBHACSJSABJNPG-NSHDSACASA-N 1 2 236.319 1.224 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCc1ccncc1 ZINC000193462395 172279216 /nfs/dbraw/zinc/27/92/16/172279216.db2.gz OXOOMHTUZSUGGT-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCc1ccncc1 ZINC000193462395 172279218 /nfs/dbraw/zinc/27/92/18/172279218.db2.gz OXOOMHTUZSUGGT-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000280712472 172279346 /nfs/dbraw/zinc/27/93/46/172279346.db2.gz JJMAMNIQRKBNHC-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC(C)=C(C)C1 ZINC000280712472 172279347 /nfs/dbraw/zinc/27/93/47/172279347.db2.gz JJMAMNIQRKBNHC-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000193495402 172283058 /nfs/dbraw/zinc/28/30/58/172283058.db2.gz ZXURUTBDLRDTRW-SNVBAGLBSA-N 1 2 246.314 1.854 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000353590780 172284212 /nfs/dbraw/zinc/28/42/12/172284212.db2.gz VDWDJNDLEISJEF-LLVKDONJSA-N 1 2 245.330 1.852 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCSC1 ZINC000284397045 172293848 /nfs/dbraw/zinc/29/38/48/172293848.db2.gz NAQGKAHRRZHTKZ-PBKGFPTLSA-N 1 2 237.328 1.387 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000372319605 172334632 /nfs/dbraw/zinc/33/46/32/172334632.db2.gz GXVADGGLOMWVBH-VIFPVBQESA-N 1 2 219.288 1.066 20 0 BDADLO CN(C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082276034 172377500 /nfs/dbraw/zinc/37/75/00/172377500.db2.gz OILWVUSZRMUVPM-SECBINFHSA-N 1 2 222.292 1.618 20 0 BDADLO CN(CC1CCC1)C(=O)CCc1c[nH+]cn1C ZINC000357372940 172654512 /nfs/dbraw/zinc/65/45/12/172654512.db2.gz YJLFCGFECSRDHL-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO C[NH+]1CCN(c2nnc(C(C)(C)C)s2)CC1 ZINC000301693224 173096145 /nfs/dbraw/zinc/09/61/45/173096145.db2.gz ZMZAEBGWWBVJAU-UHFFFAOYSA-N 1 2 240.376 1.587 20 0 BDADLO CNC(=O)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000274517330 173227757 /nfs/dbraw/zinc/22/77/57/173227757.db2.gz MXIOPVSCDATJJI-UHFFFAOYSA-N 1 2 240.253 1.143 20 0 BDADLO CNC(=O)CCCC(=O)Nc1cc[nH+]cc1C ZINC000275888105 173235499 /nfs/dbraw/zinc/23/54/99/173235499.db2.gz XMMYHWDJJPDAFB-UHFFFAOYSA-N 1 2 235.287 1.245 20 0 BDADLO CNC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000299452088 173271037 /nfs/dbraw/zinc/27/10/37/173271037.db2.gz WSGIIGBLEOIGSP-QMMMGPOBSA-N 1 2 242.269 1.704 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000299452088 173271040 /nfs/dbraw/zinc/27/10/40/173271040.db2.gz WSGIIGBLEOIGSP-QMMMGPOBSA-N 1 2 242.269 1.704 20 0 BDADLO CNC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000293328726 173277898 /nfs/dbraw/zinc/27/78/98/173277898.db2.gz WPFVAGAUOXTTPY-SSDOTTSWSA-N 1 2 244.697 1.876 20 0 BDADLO CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177561746 173285623 /nfs/dbraw/zinc/28/56/23/173285623.db2.gz YTLYZAOOZCFAEA-UWVGGRQHSA-N 1 2 222.292 1.105 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC000171401446 173297890 /nfs/dbraw/zinc/29/78/90/173297890.db2.gz SNXKTQMWXWKGPY-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC000171401446 173297891 /nfs/dbraw/zinc/29/78/91/173297891.db2.gz SNXKTQMWXWKGPY-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC000171401441 173305989 /nfs/dbraw/zinc/30/59/89/173305989.db2.gz SNXKTQMWXWKGPY-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC000171401441 173305990 /nfs/dbraw/zinc/30/59/90/173305990.db2.gz SNXKTQMWXWKGPY-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccccc2OC)n1 ZINC000051848759 173399781 /nfs/dbraw/zinc/39/97/81/173399781.db2.gz ATQVFTGXHVWLPD-UHFFFAOYSA-N 1 2 233.271 1.388 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)C1CC1 ZINC000300417853 173807190 /nfs/dbraw/zinc/80/71/90/173807190.db2.gz WHXWCNXINAMMKN-GARJFASQSA-N 1 2 241.331 1.341 20 0 BDADLO COC1C[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000358462892 174034988 /nfs/dbraw/zinc/03/49/88/174034988.db2.gz ZUGZQYLNSPHZSF-UHFFFAOYSA-N 1 2 243.310 1.703 20 0 BDADLO COCC(C)(C)CNc1ccc(CO)c[nH+]1 ZINC000309943443 174075962 /nfs/dbraw/zinc/07/59/62/174075962.db2.gz CLVNIIKZHHVUKS-UHFFFAOYSA-N 1 2 224.304 1.658 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000297624809 174113360 /nfs/dbraw/zinc/11/33/60/174113360.db2.gz WFEVACBKEUNORJ-UHFFFAOYSA-N 1 2 239.290 1.327 20 0 BDADLO COCC1=CC[N@H+](Cc2nccs2)CC1 ZINC000185850282 174116702 /nfs/dbraw/zinc/11/67/02/174116702.db2.gz RHPNATFXAINVRH-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO COCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC000185850282 174116704 /nfs/dbraw/zinc/11/67/04/174116704.db2.gz RHPNATFXAINVRH-UHFFFAOYSA-N 1 2 224.329 1.922 20 0 BDADLO COCC1=CC[N@H+](Cc2cocn2)CC1 ZINC000277699605 174117263 /nfs/dbraw/zinc/11/72/63/174117263.db2.gz RIACGHZDZZCINM-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO COCC1=CC[N@@H+](Cc2cocn2)CC1 ZINC000277699605 174117266 /nfs/dbraw/zinc/11/72/66/174117266.db2.gz RIACGHZDZZCINM-UHFFFAOYSA-N 1 2 208.261 1.453 20 0 BDADLO COCCC1(CNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000269169947 174154169 /nfs/dbraw/zinc/15/41/69/174154169.db2.gz YIWFKBWZJRLTFB-UHFFFAOYSA-N 1 2 237.303 1.265 20 0 BDADLO COCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264883625 174181950 /nfs/dbraw/zinc/18/19/50/174181950.db2.gz UBFAKFFWVVFAOQ-UHFFFAOYSA-N 1 2 225.292 1.265 20 0 BDADLO COCCCC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000132760722 174204599 /nfs/dbraw/zinc/20/45/99/174204599.db2.gz GHYXSHJCLNTVIQ-UHFFFAOYSA-N 1 2 247.302 1.501 20 0 BDADLO COCCC[N@H+](C)Cc1nnc2n1CCCC2 ZINC000368839196 174217697 /nfs/dbraw/zinc/21/76/97/174217697.db2.gz SLQYBNMJQMMPCD-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000368839196 174217699 /nfs/dbraw/zinc/21/76/99/174217699.db2.gz SLQYBNMJQMMPCD-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO COCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156234261 174229978 /nfs/dbraw/zinc/22/99/78/174229978.db2.gz HGSZDXXNBOVZKU-CYBMUJFWSA-N 1 2 248.326 1.196 20 0 BDADLO COCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156234261 174229979 /nfs/dbraw/zinc/22/99/79/174229979.db2.gz HGSZDXXNBOVZKU-CYBMUJFWSA-N 1 2 248.326 1.196 20 0 BDADLO COCCCn1c(CCCO)[nH+]c2ccccc21 ZINC000040163904 174266835 /nfs/dbraw/zinc/26/68/35/174266835.db2.gz LQVRSQJDGRFXSS-UHFFFAOYSA-N 1 2 248.326 1.998 20 0 BDADLO COCC[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000336682150 174282594 /nfs/dbraw/zinc/28/25/94/174282594.db2.gz CWTOUKQBRPDEQP-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO COCC[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000336682150 174282596 /nfs/dbraw/zinc/28/25/96/174282596.db2.gz CWTOUKQBRPDEQP-UHFFFAOYSA-N 1 2 238.335 1.083 20 0 BDADLO COCC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000338238619 174283124 /nfs/dbraw/zinc/28/31/24/174283124.db2.gz VWXVPACIEINWAK-SSDOTTSWSA-N 1 2 215.322 1.486 20 0 BDADLO COCC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000338238619 174283122 /nfs/dbraw/zinc/28/31/22/174283122.db2.gz VWXVPACIEINWAK-SSDOTTSWSA-N 1 2 215.322 1.486 20 0 BDADLO COCCN(Cc1c[nH+]c[nH]1)Cc1ccccn1 ZINC000286707417 174299022 /nfs/dbraw/zinc/29/90/22/174299022.db2.gz AJNWNCYFEDVQJS-UHFFFAOYSA-N 1 2 246.314 1.453 20 0 BDADLO COCC[N@H+](Cc1ncccn1)C1CC1 ZINC000361701800 174302430 /nfs/dbraw/zinc/30/24/30/174302430.db2.gz JEJASJSTTBWCTH-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO COCC[N@@H+](Cc1ncccn1)C1CC1 ZINC000361701800 174302431 /nfs/dbraw/zinc/30/24/31/174302431.db2.gz JEJASJSTTBWCTH-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO COCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000274491802 174311228 /nfs/dbraw/zinc/31/12/28/174311228.db2.gz HJECDIKEONLFAI-SECBINFHSA-N 1 2 244.385 1.879 20 0 BDADLO COCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000274491802 174311230 /nfs/dbraw/zinc/31/12/30/174311230.db2.gz HJECDIKEONLFAI-SECBINFHSA-N 1 2 244.385 1.879 20 0 BDADLO COCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117741361 174329373 /nfs/dbraw/zinc/32/93/73/174329373.db2.gz HODCVABDHULYIB-UHFFFAOYSA-N 1 2 245.282 1.249 20 0 BDADLO COCC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000352679093 174338398 /nfs/dbraw/zinc/33/83/98/174338398.db2.gz PGZOVHLVERWJIC-VIFPVBQESA-N 1 2 243.307 1.292 20 0 BDADLO COCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000301070740 174340971 /nfs/dbraw/zinc/34/09/71/174340971.db2.gz HENZUZJFXOGXLR-UHFFFAOYSA-N 1 2 244.298 1.905 20 0 BDADLO COCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000027901445 174342200 /nfs/dbraw/zinc/34/22/00/174342200.db2.gz OQGYVZDMJVAYTE-UHFFFAOYSA-N 1 2 206.249 1.325 20 0 BDADLO COCCOC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000309946279 174363710 /nfs/dbraw/zinc/36/37/10/174363710.db2.gz DMPDHXRYZNQYBW-VIFPVBQESA-N 1 2 225.292 1.248 20 0 BDADLO COCC[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119781296 174380973 /nfs/dbraw/zinc/38/09/73/174380973.db2.gz ZLGHZPMOHCNRDS-SECBINFHSA-N 1 2 237.303 1.937 20 0 BDADLO COCC[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121638123 174380990 /nfs/dbraw/zinc/38/09/90/174380990.db2.gz LXNKWTQZWLGVHG-SNVBAGLBSA-N 1 2 237.303 1.937 20 0 BDADLO COC[C@H](CC(C)C)[NH2+][C@H](C)C(=O)OC ZINC000308922896 174562347 /nfs/dbraw/zinc/56/23/47/174562347.db2.gz HMHSDQVSXJYPNC-ZJUUUORDSA-N 1 2 217.309 1.199 20 0 BDADLO COc1ccc(-c2ccc(N)[nH+]c2)cn1 ZINC000052886392 175033588 /nfs/dbraw/zinc/03/35/88/175033588.db2.gz KXEDQNGUZPLWKD-UHFFFAOYSA-N 1 2 201.229 1.734 20 0 BDADLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123460191 175099297 /nfs/dbraw/zinc/09/92/97/175099297.db2.gz YXTHSLRQYKQGPO-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123460191 175099300 /nfs/dbraw/zinc/09/93/00/175099300.db2.gz YXTHSLRQYKQGPO-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000372469561 175100989 /nfs/dbraw/zinc/10/09/89/175100989.db2.gz YQVPAIXWUACEGK-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000372469561 175100991 /nfs/dbraw/zinc/10/09/91/175100991.db2.gz YQVPAIXWUACEGK-CQSZACIVSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)nn1 ZINC000283072646 175101056 /nfs/dbraw/zinc/10/10/56/175101056.db2.gz KERRHEFEYNDNDB-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)nn1 ZINC000283072646 175101059 /nfs/dbraw/zinc/10/10/59/175101059.db2.gz KERRHEFEYNDNDB-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1O ZINC000211648661 175103164 /nfs/dbraw/zinc/10/31/64/175103164.db2.gz CTSMKRNXIITIOB-TXEJJXNPSA-N 1 2 249.310 1.764 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1O ZINC000211648661 175103165 /nfs/dbraw/zinc/10/31/65/175103165.db2.gz CTSMKRNXIITIOB-TXEJJXNPSA-N 1 2 249.310 1.764 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000237251971 175108732 /nfs/dbraw/zinc/10/87/32/175108732.db2.gz OBFOHGCZAMXTIG-UHFFFAOYSA-N 1 2 218.256 1.973 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ccccn2)nn1 ZINC000310690371 175110662 /nfs/dbraw/zinc/11/06/62/175110662.db2.gz WZNQHIXNSFEIOJ-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2nnn(C)n2)cc1 ZINC000234958837 175177278 /nfs/dbraw/zinc/17/72/78/175177278.db2.gz QUQDIIMTVPRTRV-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1cccc(C[N@H+](C)[C@@H]2CCOC2=O)c1 ZINC000298067864 175255877 /nfs/dbraw/zinc/25/58/77/175255877.db2.gz FWAQWKAKKQKBBI-GFCCVEGCSA-N 1 2 235.283 1.443 20 0 BDADLO COc1cccc(C[N@@H+](C)[C@@H]2CCOC2=O)c1 ZINC000298067864 175255878 /nfs/dbraw/zinc/25/58/78/175255878.db2.gz FWAQWKAKKQKBBI-GFCCVEGCSA-N 1 2 235.283 1.443 20 0 BDADLO COc1cccc(C[N@@H+]2CCOCC23CC3)n1 ZINC000338599850 175258802 /nfs/dbraw/zinc/25/88/02/175258802.db2.gz WFFZABDNKOVNFD-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cccc(C[N@H+]2CCOCC23CC3)n1 ZINC000338599850 175258803 /nfs/dbraw/zinc/25/88/03/175258803.db2.gz WFFZABDNKOVNFD-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2cnn[nH]2)c1 ZINC000296256454 175293236 /nfs/dbraw/zinc/29/32/36/175293236.db2.gz JEBNCAAWDFTXER-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1cccc([C@H](C)[NH2+]Cc2c[nH]nn2)c1 ZINC000296256454 175293238 /nfs/dbraw/zinc/29/32/38/175293238.db2.gz JEBNCAAWDFTXER-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccccc1C[NH2+]Cc1csnn1 ZINC000036901832 175330317 /nfs/dbraw/zinc/33/03/17/175330317.db2.gz QWILTLRJUWEIBE-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO COc1cc[nH+]c(CN2CCOCC23CC3)c1 ZINC000338600257 175358838 /nfs/dbraw/zinc/35/88/38/175358838.db2.gz SULJBELYUBUVFS-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cc[nH+]c(CN2CCOCC2(C)C)c1 ZINC000106933714 175359470 /nfs/dbraw/zinc/35/94/70/175359470.db2.gz BAFLRZZEJWVKIZ-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccnc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000124353572 175367160 /nfs/dbraw/zinc/36/71/60/175367160.db2.gz GCNQPRLUJNZQMT-SECBINFHSA-N 1 2 233.275 1.182 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C=C1CCC1 ZINC000294719473 175369881 /nfs/dbraw/zinc/36/98/81/175369881.db2.gz WKYLAHRZVPNQMI-UHFFFAOYSA-N 1 2 232.283 1.817 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1CC=CC1 ZINC000293441171 175370160 /nfs/dbraw/zinc/37/01/60/175370160.db2.gz TXYWRIJYORSFAR-UHFFFAOYSA-N 1 2 232.283 1.673 20 0 BDADLO COc1ccncc1CNCc1[nH]cc[nH+]1 ZINC000309532147 175371881 /nfs/dbraw/zinc/37/18/81/175371881.db2.gz ADTJHDYPQKLMRU-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1ccncc1C[NH2+]Cc1ncc[nH]1 ZINC000309532147 175371882 /nfs/dbraw/zinc/37/18/82/175371882.db2.gz ADTJHDYPQKLMRU-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CCCO1 ZINC000287226959 175372758 /nfs/dbraw/zinc/37/27/58/175372758.db2.gz PAABYQLVSGGEBD-NSHDSACASA-N 1 2 237.255 1.312 20 0 BDADLO COc1cc[nH+]cc1CSc1nccnc1N ZINC000310282896 175373836 /nfs/dbraw/zinc/37/38/36/175373836.db2.gz LJCPYOLQPSIBDV-UHFFFAOYSA-N 1 2 248.311 1.755 20 0 BDADLO COc1cc[nH+]cc1CSc1ncnn1C ZINC000286442863 175374016 /nfs/dbraw/zinc/37/40/16/175374016.db2.gz HZEFPIIUWGPFKD-UHFFFAOYSA-N 1 2 236.300 1.511 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000330989109 175375043 /nfs/dbraw/zinc/37/50/43/175375043.db2.gz GWTDCBYMTJKKFM-DTWKUNHWSA-N 1 2 236.271 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1c[nH]c(C)n1 ZINC000339225660 175376079 /nfs/dbraw/zinc/37/60/79/175376079.db2.gz ZKELEOOTTADBIH-UHFFFAOYSA-N 1 2 232.243 1.374 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1n[nH]c(C)c1C ZINC000265244726 175376128 /nfs/dbraw/zinc/37/61/28/175376128.db2.gz RBSZKFWMQJLONJ-UHFFFAOYSA-N 1 2 246.270 1.682 20 0 BDADLO COc1ccsc1CNCC[NH+]1CCCC1 ZINC000158250703 175378417 /nfs/dbraw/zinc/37/84/17/175378417.db2.gz PTARBRNCSHLNLQ-UHFFFAOYSA-N 1 2 240.372 1.942 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000352846434 175655506 /nfs/dbraw/zinc/65/55/06/175655506.db2.gz PLIIJPKNLGQYSF-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1cc(F)ncc1F ZINC000296125411 175693869 /nfs/dbraw/zinc/69/38/69/175693869.db2.gz UDKNAUZQURNZLH-LURJTMIESA-N 1 2 204.195 1.807 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccon1 ZINC000309506281 175920999 /nfs/dbraw/zinc/92/09/99/175920999.db2.gz CARZNONSAYZXEF-RKDXNWHRSA-N 1 2 220.276 1.820 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1nccc(N)n1 ZINC000093236517 176028752 /nfs/dbraw/zinc/02/87/52/176028752.db2.gz WOXLLCZTLUNUOY-JTQLQIEISA-N 1 2 243.314 1.647 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nccc(N)n1 ZINC000093236517 176028755 /nfs/dbraw/zinc/02/87/55/176028755.db2.gz WOXLLCZTLUNUOY-JTQLQIEISA-N 1 2 243.314 1.647 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364318701 176037847 /nfs/dbraw/zinc/03/78/47/176037847.db2.gz RLSIRQXFYOLUIK-WPRPVWTQSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364318701 176037849 /nfs/dbraw/zinc/03/78/49/176037849.db2.gz RLSIRQXFYOLUIK-WPRPVWTQSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290965993 176059295 /nfs/dbraw/zinc/05/92/95/176059295.db2.gz SETAXIARYVLHIN-DGCLKSJQSA-N 1 2 245.326 1.828 20 0 BDADLO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332645427 176061760 /nfs/dbraw/zinc/06/17/60/176061760.db2.gz BSJXDQCNPPHZDK-SSDOTTSWSA-N 1 2 210.281 1.273 20 0 BDADLO C[C@@H]1CCC(C)(C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332645427 176061762 /nfs/dbraw/zinc/06/17/62/176061762.db2.gz BSJXDQCNPPHZDK-SSDOTTSWSA-N 1 2 210.281 1.273 20 0 BDADLO FC1(C[N@@H+]2CCCc3[nH]ncc3C2)CC1 ZINC000668840880 487632683 /nfs/dbraw/zinc/63/26/83/487632683.db2.gz KJRRLEWGYZOQKN-UHFFFAOYSA-N 1 2 209.268 1.660 20 0 BDADLO FC1(C[N@H+]2CCCc3[nH]ncc3C2)CC1 ZINC000668840880 487632689 /nfs/dbraw/zinc/63/26/89/487632689.db2.gz KJRRLEWGYZOQKN-UHFFFAOYSA-N 1 2 209.268 1.660 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)[C@@H]1C ZINC000336764607 176144540 /nfs/dbraw/zinc/14/45/40/176144540.db2.gz QHFPCWIGCHKWRC-KKZNHRDASA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)[C@@H]1C ZINC000336764607 176144542 /nfs/dbraw/zinc/14/45/42/176144542.db2.gz QHFPCWIGCHKWRC-KKZNHRDASA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCN(C(=O)C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000279235517 176153679 /nfs/dbraw/zinc/15/36/79/176153679.db2.gz RWDMKZVYNASWJK-BDAKNGLRSA-N 1 2 243.257 1.558 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000372727849 176160652 /nfs/dbraw/zinc/16/06/52/176160652.db2.gz QLJXVZWMNOTXMW-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC000344083452 176161136 /nfs/dbraw/zinc/16/11/36/176161136.db2.gz PDWSZIFYQJXXEA-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccn2C)CC[S@@]1=O ZINC000277421105 176175939 /nfs/dbraw/zinc/17/59/39/176175939.db2.gz IEVGTUOMWXINFX-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccn2C)CC[S@@]1=O ZINC000277421105 176175941 /nfs/dbraw/zinc/17/59/41/176175941.db2.gz IEVGTUOMWXINFX-BZNIZROVSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC000339172377 176206667 /nfs/dbraw/zinc/20/66/67/176206667.db2.gz YVEBGWYDYNZWRJ-VXGBXAGGSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000332306555 176225801 /nfs/dbraw/zinc/22/58/01/176225801.db2.gz KHOGZKLDAMNKLC-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000332306555 176225802 /nfs/dbraw/zinc/22/58/02/176225802.db2.gz KHOGZKLDAMNKLC-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000294187910 176246478 /nfs/dbraw/zinc/24/64/78/176246478.db2.gz QEXCSNGFMNIKSD-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H]1C ZINC000357549917 176255645 /nfs/dbraw/zinc/25/56/45/176255645.db2.gz MKAPPSBNBYHSEB-OPRDCNLKSA-N 1 2 233.315 1.696 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H]1C ZINC000294228093 176261350 /nfs/dbraw/zinc/26/13/50/176261350.db2.gz ROZNHRHGFLBSLR-NXEZZACHSA-N 1 2 229.283 1.815 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC(=O)N1C ZINC000337460431 176279631 /nfs/dbraw/zinc/27/96/31/176279631.db2.gz PCUADLXEZXTUDF-OYVUYXNMSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC(=O)N1C ZINC000337460431 176279632 /nfs/dbraw/zinc/27/96/32/176279632.db2.gz PCUADLXEZXTUDF-OYVUYXNMSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@@H]1C[N@H+](CCCCCF)CC[S@@]1=O ZINC000341870588 176287389 /nfs/dbraw/zinc/28/73/89/176287389.db2.gz LOQMRDOAMCVHKG-YGRLFVJLSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@@H]1C[N@@H+](CCCCCF)CC[S@@]1=O ZINC000341870588 176287390 /nfs/dbraw/zinc/28/73/90/176287390.db2.gz LOQMRDOAMCVHKG-YGRLFVJLSA-N 1 2 221.341 1.579 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2ncc[nH]2)CCO1 ZINC000189477067 176291905 /nfs/dbraw/zinc/29/19/05/176291905.db2.gz QOEWVZVWRFNJLI-SECBINFHSA-N 1 2 227.333 1.223 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2ncc[nH]2)CCO1 ZINC000189477067 176291906 /nfs/dbraw/zinc/29/19/06/176291906.db2.gz QOEWVZVWRFNJLI-SECBINFHSA-N 1 2 227.333 1.223 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccco2)CC[S@](=O)C1 ZINC000277567828 176306991 /nfs/dbraw/zinc/30/69/91/176306991.db2.gz SJSFQXUVBQDCMC-BMIGLBTASA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccco2)CC[S@](=O)C1 ZINC000277567828 176306993 /nfs/dbraw/zinc/30/69/93/176306993.db2.gz SJSFQXUVBQDCMC-BMIGLBTASA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1C[NH+](Cc2cccnc2N)C[C@@H](C)O1 ZINC000052709831 176307113 /nfs/dbraw/zinc/30/71/13/176307113.db2.gz USVZWGUKUQQLFL-NXEZZACHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[S@](=O)C1 ZINC000277552039 176307834 /nfs/dbraw/zinc/30/78/34/176307834.db2.gz RCMHGYQPEHKOGI-BZNIZROVSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[S@](=O)C1 ZINC000277552039 176307836 /nfs/dbraw/zinc/30/78/36/176307836.db2.gz RCMHGYQPEHKOGI-BZNIZROVSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@@H](C2CC2)O1 ZINC000336543131 176308390 /nfs/dbraw/zinc/30/83/90/176308390.db2.gz QIBMMLNUHWDERQ-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@H](C2CC2)O1 ZINC000336543131 176308391 /nfs/dbraw/zinc/30/83/91/176308391.db2.gz QIBMMLNUHWDERQ-MFKMUULPSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)C[C@@H](C2CC2)O1 ZINC000279217929 176308936 /nfs/dbraw/zinc/30/89/36/176308936.db2.gz CONUWPZWZBKVEU-SKDRFNHKSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)C[C@@H](C2CC2)O1 ZINC000279217929 176308937 /nfs/dbraw/zinc/30/89/37/176308937.db2.gz CONUWPZWZBKVEU-SKDRFNHKSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CCC1=O ZINC000168903488 176309260 /nfs/dbraw/zinc/30/92/60/176309260.db2.gz ZOENIVYLWSVMSO-LLVKDONJSA-N 1 2 243.310 1.745 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)C(C)(C)C1 ZINC000332674627 176311739 /nfs/dbraw/zinc/31/17/39/176311739.db2.gz GCQPESBONHIEGC-ZETCQYMHSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)C(C)(C)C1 ZINC000332674627 176311740 /nfs/dbraw/zinc/31/17/40/176311740.db2.gz GCQPESBONHIEGC-ZETCQYMHSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN1CCC[C@@H]1C(F)F ZINC000353197670 176335477 /nfs/dbraw/zinc/33/54/77/176335477.db2.gz WJNVJDNYNIFLLH-GHMZBOCLSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN1CCC[C@@H]1C(F)F ZINC000353197670 176335478 /nfs/dbraw/zinc/33/54/78/176335478.db2.gz WJNVJDNYNIFLLH-GHMZBOCLSA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1CCC1 ZINC000361823520 176336490 /nfs/dbraw/zinc/33/64/90/176336490.db2.gz GVHWBHWRCXJKGF-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC1CCC1 ZINC000361823520 176336491 /nfs/dbraw/zinc/33/64/91/176336491.db2.gz GVHWBHWRCXJKGF-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COCC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000277521255 176343053 /nfs/dbraw/zinc/34/30/53/176343053.db2.gz VEGOGVUNJFTOIR-SCZZXKLOSA-N 1 2 247.302 1.200 20 0 BDADLO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000336677585 176355295 /nfs/dbraw/zinc/35/52/95/176355295.db2.gz HYGPTOBJKIZNGT-RKDXNWHRSA-N 1 2 231.361 1.669 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+](CCO)CC(F)F)CCO1 ZINC000355488500 176367560 /nfs/dbraw/zinc/36/75/60/176367560.db2.gz UVPMLQMTJVNEKL-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+](CCO)CC(F)F)CCO1 ZINC000355488500 176367562 /nfs/dbraw/zinc/36/75/62/176367562.db2.gz UVPMLQMTJVNEKL-ZJUUUORDSA-N 1 2 237.290 1.361 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371444009 176385429 /nfs/dbraw/zinc/38/54/29/176385429.db2.gz VEOOQEUORXVITN-UTLUCORTSA-N 1 2 219.288 1.729 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000352769756 176390165 /nfs/dbraw/zinc/39/01/65/176390165.db2.gz KIVFUIANKGFYSP-ZYHUDNBSSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000171048155 176445200 /nfs/dbraw/zinc/44/52/00/176445200.db2.gz HVRYVTGHTGKMAQ-MWLCHTKSSA-N 1 2 242.282 1.406 20 0 BDADLO C[C@@H]1[C@@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000362673973 176494643 /nfs/dbraw/zinc/49/46/43/176494643.db2.gz YQONYOWPFJUHLD-MWLCHTKSSA-N 1 2 233.315 1.561 20 0 BDADLO C[C@H](O)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000272480607 177009666 /nfs/dbraw/zinc/00/96/66/177009666.db2.gz OKICWYPUJHAACT-WDEREUQCSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000335178028 177015645 /nfs/dbraw/zinc/01/56/45/177015645.db2.gz UHPWTCPZUKXGSR-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000335178028 177015647 /nfs/dbraw/zinc/01/56/47/177015647.db2.gz UHPWTCPZUKXGSR-GXFFZTMASA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282103703 177044075 /nfs/dbraw/zinc/04/40/75/177044075.db2.gz ISNOLDHRFHVOFT-GHMZBOCLSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282103703 177044077 /nfs/dbraw/zinc/04/40/77/177044077.db2.gz ISNOLDHRFHVOFT-GHMZBOCLSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336505709 177046072 /nfs/dbraw/zinc/04/60/72/177046072.db2.gz KRGBSSSYDZHEJC-LLVKDONJSA-N 1 2 245.326 1.449 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336505709 177046074 /nfs/dbraw/zinc/04/60/74/177046074.db2.gz KRGBSSSYDZHEJC-LLVKDONJSA-N 1 2 245.326 1.449 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCc2ncccc2C1 ZINC000366327019 177053780 /nfs/dbraw/zinc/05/37/80/177053780.db2.gz LBESSAMMKJKJHI-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCc2ncccc2C1 ZINC000366327019 177053782 /nfs/dbraw/zinc/05/37/82/177053782.db2.gz LBESSAMMKJKJHI-SNVBAGLBSA-N 1 2 243.314 1.329 20 0 BDADLO C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000330095387 177057124 /nfs/dbraw/zinc/05/71/24/177057124.db2.gz VJNBJRXZMKVBSR-BDAKNGLRSA-N 1 2 248.282 1.153 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178526294 177059692 /nfs/dbraw/zinc/05/96/92/177059692.db2.gz ZLJNENUMDITKLA-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178526294 177059693 /nfs/dbraw/zinc/05/96/93/177059693.db2.gz ZLJNENUMDITKLA-JTQLQIEISA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000299646484 177091788 /nfs/dbraw/zinc/09/17/88/177091788.db2.gz JOWIUYDSIKTWOV-LBPRGKRZSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@H]1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336292245 177123702 /nfs/dbraw/zinc/12/37/02/177123702.db2.gz ULRAQKPEKIGCQU-JQWIXIFHSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000336400882 177129193 /nfs/dbraw/zinc/12/91/93/177129193.db2.gz QHFDJIFSZKYKRE-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CCN(C(=O)C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000279235520 177145116 /nfs/dbraw/zinc/14/51/16/177145116.db2.gz RWDMKZVYNASWJK-DTWKUNHWSA-N 1 2 243.257 1.558 20 0 BDADLO C[C@@H]1C[C@@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000276612232 177147007 /nfs/dbraw/zinc/14/70/07/177147007.db2.gz STNZEAJPHKEZGE-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335475543 177151931 /nfs/dbraw/zinc/15/19/31/177151931.db2.gz KTVBKVORJOATKA-IONNQARKSA-N 1 2 225.317 1.011 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C)c2)CC[S@]1=O ZINC000277781495 177165562 /nfs/dbraw/zinc/16/55/62/177165562.db2.gz WSKXDBTWYBNEMD-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C)c2)CC[S@]1=O ZINC000277781495 177165563 /nfs/dbraw/zinc/16/55/63/177165563.db2.gz WSKXDBTWYBNEMD-MEDUHNTESA-N 1 2 240.372 1.368 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000334220970 177197425 /nfs/dbraw/zinc/19/74/25/177197425.db2.gz WBVCALQXAPTHCY-IUCAKERBSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000334220970 177197426 /nfs/dbraw/zinc/19/74/26/177197426.db2.gz WBVCALQXAPTHCY-IUCAKERBSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000330973889 177201055 /nfs/dbraw/zinc/20/10/55/177201055.db2.gz UTVDSBMWYDQIQL-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000330973889 177201057 /nfs/dbraw/zinc/20/10/57/177201057.db2.gz UTVDSBMWYDQIQL-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCS1 ZINC000276553276 177211035 /nfs/dbraw/zinc/21/10/35/177211035.db2.gz ICCLVHSQPNPVMB-HPOULIHZSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)Nc2nccs2)[C@H]1C ZINC000293527378 177243583 /nfs/dbraw/zinc/24/35/83/177243583.db2.gz WPYFESZOPXRCDP-YUMQZZPRSA-N 1 2 225.317 1.422 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)Nc2nccs2)[C@H]1C ZINC000293527378 177243584 /nfs/dbraw/zinc/24/35/84/177243584.db2.gz WPYFESZOPXRCDP-YUMQZZPRSA-N 1 2 225.317 1.422 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCC(F)(F)C2)CCO1 ZINC000336353816 177250615 /nfs/dbraw/zinc/25/06/15/177250615.db2.gz PASNISCAEHOVBN-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCC(F)(F)C2)CCO1 ZINC000336353816 177250617 /nfs/dbraw/zinc/25/06/17/177250617.db2.gz PASNISCAEHOVBN-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO C[C@H]1C[NH+](CCOC(C)(C)C)C[C@H](C)S1=O ZINC000362067398 177253141 /nfs/dbraw/zinc/25/31/41/177253141.db2.gz QNSWSNGUFRYDLE-QWRGUYRKSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@H]1C[N@H+](CCc2cscn2)CCC1=O ZINC000082626345 177256295 /nfs/dbraw/zinc/25/62/95/177256295.db2.gz LNUVVROLANTUFW-VIFPVBQESA-N 1 2 224.329 1.597 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cscn2)CCC1=O ZINC000082626345 177256296 /nfs/dbraw/zinc/25/62/96/177256296.db2.gz LNUVVROLANTUFW-VIFPVBQESA-N 1 2 224.329 1.597 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[S@@](=O)[C@@H](C)C2)O1 ZINC000354832499 177258950 /nfs/dbraw/zinc/25/89/50/177258950.db2.gz IHULHTUFOIDUMR-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CC[S@@](=O)[C@@H](C)C2)O1 ZINC000354832499 177258952 /nfs/dbraw/zinc/25/89/52/177258952.db2.gz IHULHTUFOIDUMR-JNIYBQFBSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000119562100 177262612 /nfs/dbraw/zinc/26/26/12/177262612.db2.gz TYFRRJZSMOUMIH-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000119562100 177262613 /nfs/dbraw/zinc/26/26/13/177262613.db2.gz TYFRRJZSMOUMIH-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccnc2)CC[S@](=O)C1 ZINC000277555202 177266467 /nfs/dbraw/zinc/26/64/67/177266467.db2.gz RHFZRNJMRYVVLE-ZBEGNZNMSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccnc2)CC[S@](=O)C1 ZINC000277555202 177266469 /nfs/dbraw/zinc/26/64/69/177266469.db2.gz RHFZRNJMRYVVLE-ZBEGNZNMSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccnc2)CCC1=O ZINC000049693653 177266932 /nfs/dbraw/zinc/26/69/32/177266932.db2.gz CADCZIJYMXSYID-JTQLQIEISA-N 1 2 204.273 1.493 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccnc2)CCC1=O ZINC000049693653 177266934 /nfs/dbraw/zinc/26/69/34/177266934.db2.gz CADCZIJYMXSYID-JTQLQIEISA-N 1 2 204.273 1.493 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000127000336 177267549 /nfs/dbraw/zinc/26/75/49/177267549.db2.gz PRKSKODZKVYUSR-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000127000336 177267550 /nfs/dbraw/zinc/26/75/50/177267550.db2.gz PRKSKODZKVYUSR-AOOOYVTPSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[NH+](Cc2nsc(N(C)C)n2)C[C@@H]1C ZINC000336696889 177271705 /nfs/dbraw/zinc/27/17/05/177271705.db2.gz HOJLVARTSCYAFB-IUCAKERBSA-N 1 2 240.376 1.692 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)C[C@H](C)S1 ZINC000336561314 177271891 /nfs/dbraw/zinc/27/18/91/177271891.db2.gz QVPFUIQMNADNQO-DTORHVGOSA-N 1 2 211.334 1.736 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)C[C@H](C)S1 ZINC000336561314 177271893 /nfs/dbraw/zinc/27/18/93/177271893.db2.gz QVPFUIQMNADNQO-DTORHVGOSA-N 1 2 211.334 1.736 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016333485 177275260 /nfs/dbraw/zinc/27/52/60/177275260.db2.gz GISJHTYVGWNIBU-OUAUKWLOSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016333485 177275261 /nfs/dbraw/zinc/27/52/61/177275261.db2.gz GISJHTYVGWNIBU-OUAUKWLOSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000335724286 177288745 /nfs/dbraw/zinc/28/87/45/177288745.db2.gz VNESRASTMSDIML-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000335724286 177288748 /nfs/dbraw/zinc/28/87/48/177288748.db2.gz VNESRASTMSDIML-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000299586950 177301846 /nfs/dbraw/zinc/30/18/46/177301846.db2.gz VXDJZHLHRVHAKI-VHSXEESVSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)[C@@H]1C ZINC000334094842 177328838 /nfs/dbraw/zinc/32/88/38/177328838.db2.gz QQSGHZTUCKLKGD-LMLFDSFASA-N 1 2 248.330 1.939 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)NCC2CCC2)c2[nH+]ccn21 ZINC000333810616 177329632 /nfs/dbraw/zinc/32/96/32/177329632.db2.gz HXPSVQDSACFDOP-GXSJLCMTSA-N 1 2 248.330 1.988 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331615912 177343003 /nfs/dbraw/zinc/34/30/03/177343003.db2.gz GASJBNRSPMXQIT-DTWKUNHWSA-N 1 2 221.304 1.460 20 0 BDADLO C[C@H]1C[C@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC000337860562 177359899 /nfs/dbraw/zinc/35/98/99/177359899.db2.gz ITZOFKUAZIKYFN-IUCAKERBSA-N 1 2 231.303 1.598 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C1CC1 ZINC000333170620 177367020 /nfs/dbraw/zinc/36/70/20/177367020.db2.gz JJCAEWZMGZUIEI-NGZCFLSTSA-N 1 2 248.330 1.987 20 0 BDADLO C[C@H]1C[C@H](NCC[N@@H+]2CC=CCC2)CC[NH+]1C ZINC000359037481 177369123 /nfs/dbraw/zinc/36/91/23/177369123.db2.gz QWEHEYYZKXVQCU-UONOGXRCSA-N 1 2 237.391 1.321 20 0 BDADLO COCc1cnc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000471803150 225081434 /nfs/dbraw/zinc/08/14/34/225081434.db2.gz FSTHJYWDUVCPAL-IUCAKERBSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1cnc(C[N@H+]2C[C@@H](O)C[C@@H]2C)s1 ZINC000471803150 225081436 /nfs/dbraw/zinc/08/14/36/225081436.db2.gz FSTHJYWDUVCPAL-IUCAKERBSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1nc(C[N@H+](C)CCCCO)cs1 ZINC000471811676 225084392 /nfs/dbraw/zinc/08/43/92/225084392.db2.gz PFQADJGNUDOHDG-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO COCc1nc(C[N@@H+](C)CCCCO)cs1 ZINC000471811676 225084394 /nfs/dbraw/zinc/08/43/94/225084394.db2.gz PFQADJGNUDOHDG-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000471813725 225085481 /nfs/dbraw/zinc/08/54/81/225085481.db2.gz XEEBVKKOZOZMLE-APPZFPTMSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000471813725 225085482 /nfs/dbraw/zinc/08/54/82/225085482.db2.gz XEEBVKKOZOZMLE-APPZFPTMSA-N 1 2 231.246 1.233 20 0 BDADLO CCn1ncnc1C[N@H+]1CC=C(COC)CC1 ZINC000488061658 225346599 /nfs/dbraw/zinc/34/65/99/225346599.db2.gz CDLLKUZHVKQDPL-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC=C(COC)CC1 ZINC000488061658 225346600 /nfs/dbraw/zinc/34/66/00/225346600.db2.gz CDLLKUZHVKQDPL-UHFFFAOYSA-N 1 2 236.319 1.077 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000488110860 225348165 /nfs/dbraw/zinc/34/81/65/225348165.db2.gz QYRNKRXOGKGVEE-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@H](CO)CC(C)C ZINC000488110860 225348171 /nfs/dbraw/zinc/34/81/71/225348171.db2.gz QYRNKRXOGKGVEE-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO Cc1ncoc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000488258008 225359101 /nfs/dbraw/zinc/35/91/01/225359101.db2.gz DCEPUBPCFDDPNG-UHFFFAOYSA-N 1 2 248.286 1.342 20 0 BDADLO C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000225829452 487647916 /nfs/dbraw/zinc/64/79/16/487647916.db2.gz UNDVNFPTQAFDEZ-ZDUSSCGKSA-N 1 2 248.326 1.569 20 0 BDADLO C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000225829452 487647921 /nfs/dbraw/zinc/64/79/21/487647921.db2.gz UNDVNFPTQAFDEZ-ZDUSSCGKSA-N 1 2 248.326 1.569 20 0 BDADLO Cc1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000492501723 226008350 /nfs/dbraw/zinc/00/83/50/226008350.db2.gz NMKHWCNQCJAPMR-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCSCC1 ZINC000272721117 487648542 /nfs/dbraw/zinc/64/85/42/487648542.db2.gz FJAJBEOWIVJCNI-UHFFFAOYSA-N 1 2 211.334 1.657 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCSCC1 ZINC000272721117 487648544 /nfs/dbraw/zinc/64/85/44/487648544.db2.gz FJAJBEOWIVJCNI-UHFFFAOYSA-N 1 2 211.334 1.657 20 0 BDADLO C[C@H]1COC(C)(C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492772548 226050698 /nfs/dbraw/zinc/05/06/98/226050698.db2.gz SYVOOMFLWLMCJY-LWTINBJPSA-N 1 2 249.314 1.449 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@H]21 ZINC000492814172 226058304 /nfs/dbraw/zinc/05/83/04/226058304.db2.gz SVPXRDYYHXXAKW-ZDTBXWBLSA-N 1 2 217.272 1.434 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCCCC1 ZINC000492827340 226061483 /nfs/dbraw/zinc/06/14/83/226061483.db2.gz WVFSTYJQSXVFNG-SREVYHEPSA-N 1 2 219.288 1.872 20 0 BDADLO C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492864349 226069677 /nfs/dbraw/zinc/06/96/77/226069677.db2.gz TYXQCSMXJLQOBM-XADBCAIWSA-N 1 2 205.261 1.291 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000492864168 226070694 /nfs/dbraw/zinc/07/06/94/226070694.db2.gz NAQAGABCUVCRLZ-ZMWSMAPVSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[C@H](O)C1 ZINC000492867401 226072410 /nfs/dbraw/zinc/07/24/10/226072410.db2.gz RJFLPTMDZPVPJJ-SFLCEZBHSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCOC(F)(F)F ZINC000492900965 226078792 /nfs/dbraw/zinc/07/87/92/226078792.db2.gz OHFUVDLRHGAEQR-OWOJBTEDSA-N 1 2 249.192 1.076 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC12CCCC2 ZINC000492965819 226093048 /nfs/dbraw/zinc/09/30/48/226093048.db2.gz WVJMCSFIRAOCOD-PGLGOXFNSA-N 1 2 231.299 1.872 20 0 BDADLO O=C(/C=C/c1cncs1)NCCc1[nH]cc[nH+]1 ZINC000492982791 226097661 /nfs/dbraw/zinc/09/76/61/226097661.db2.gz GPWFLFJTQITOGA-OWOJBTEDSA-N 1 2 248.311 1.238 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(C2CC2)CC1 ZINC000493004183 226101802 /nfs/dbraw/zinc/10/18/02/226101802.db2.gz JOAWKOILJYQLDW-ARJAWSKDSA-N 1 2 231.299 1.729 20 0 BDADLO Cc1ccnc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493330092 226188141 /nfs/dbraw/zinc/18/81/41/226188141.db2.gz YCDFPICHONMPMA-NSCUHMNNSA-N 1 2 228.255 1.765 20 0 BDADLO Cc1cc(CCNC(=O)/C=C/c2[nH]cc[nH+]2)on1 ZINC000493335366 226188728 /nfs/dbraw/zinc/18/87/28/226188728.db2.gz LDPAQUKZSJHFTB-NSCUHMNNSA-N 1 2 246.270 1.078 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC[C@H]1CCCCO1 ZINC000493107328 226128300 /nfs/dbraw/zinc/12/83/00/226128300.db2.gz PPTREMYVUCXCSC-QMAVJUDZSA-N 1 2 249.314 1.498 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(F)cc1O ZINC000493184725 226147853 /nfs/dbraw/zinc/14/78/53/226147853.db2.gz FFRGBQKFVYETIN-DUXPYHPUSA-N 1 2 247.229 1.906 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CC[C@H](O)CC1 ZINC000493209618 226155497 /nfs/dbraw/zinc/15/54/97/226155497.db2.gz SFIYURCPNAKKON-FEVKWXSISA-N 1 2 249.314 1.185 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC=CCC1 ZINC000493261105 226168870 /nfs/dbraw/zinc/16/88/70/226168870.db2.gz JPFLWVXVCVBQBM-VQCYPWCPSA-N 1 2 217.272 1.648 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC=CCC1 ZINC000493261102 226168967 /nfs/dbraw/zinc/16/89/67/226168967.db2.gz JPFLWVXVCVBQBM-FGEFZZPRSA-N 1 2 217.272 1.648 20 0 BDADLO C[C@@H]1C[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)O1 ZINC000493281719 226174144 /nfs/dbraw/zinc/17/41/44/226174144.db2.gz AAWXCJFNHGCRGF-PNRLHAQJSA-N 1 2 249.314 1.353 20 0 BDADLO COCC[N@H+](CN1CC(C)(C)OC1=O)C1CC1 ZINC000495382192 226280847 /nfs/dbraw/zinc/28/08/47/226280847.db2.gz LJAFHBCOEYCTSZ-UHFFFAOYSA-N 1 2 242.319 1.286 20 0 BDADLO COCC[N@@H+](CN1CC(C)(C)OC1=O)C1CC1 ZINC000495382192 226280848 /nfs/dbraw/zinc/28/08/48/226280848.db2.gz LJAFHBCOEYCTSZ-UHFFFAOYSA-N 1 2 242.319 1.286 20 0 BDADLO CSC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493375822 226198792 /nfs/dbraw/zinc/19/87/92/226198792.db2.gz ZYZQWVJVKYLSRQ-SNAWJCMRSA-N 1 2 239.344 1.681 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCCC[C@H]1O ZINC000493452450 226221185 /nfs/dbraw/zinc/22/11/85/226221185.db2.gz KTYLXWGKRSSKIA-AFPRHGJPSA-N 1 2 249.314 1.185 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000493486101 226229381 /nfs/dbraw/zinc/22/93/81/226229381.db2.gz DXYFBYOQUAZWKH-KVNXUHIHSA-N 1 2 247.298 1.107 20 0 BDADLO C[C@@H]1COC[C@@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493510873 226235762 /nfs/dbraw/zinc/23/57/62/226235762.db2.gz DNZSFTOPIHNQRI-HWKXXFMVSA-N 1 2 235.287 1.059 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCC12CCC2 ZINC000493530805 226240149 /nfs/dbraw/zinc/24/01/49/226240149.db2.gz SJLXCIXXIIVNBC-ARJAWSKDSA-N 1 2 231.299 1.968 20 0 BDADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CC1(C)C ZINC000493545046 226241564 /nfs/dbraw/zinc/24/15/64/226241564.db2.gz CMRNADRKSAQCSA-XNPJLODASA-N 1 2 219.288 1.680 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccccc1 ZINC000493560202 226243443 /nfs/dbraw/zinc/24/34/43/226243443.db2.gz SGKKSSCMYSIAMV-BQYQJAHWSA-N 1 2 241.294 1.750 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCC(F)(F)F ZINC000493821608 226255840 /nfs/dbraw/zinc/25/58/40/226255840.db2.gz MCFZNCKZIGXDAA-OWOJBTEDSA-N 1 2 233.193 1.492 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493824855 226256164 /nfs/dbraw/zinc/25/61/64/226256164.db2.gz PDLRBONIVOIDKJ-GMCFVEKCSA-N 1 2 219.288 1.728 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccncc1 ZINC000494957651 226272633 /nfs/dbraw/zinc/27/26/33/226272633.db2.gz VBUQADWDVYXNHL-LSYFEZSPSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccncc1 ZINC000494957651 226272634 /nfs/dbraw/zinc/27/26/34/226272634.db2.gz VBUQADWDVYXNHL-LSYFEZSPSA-N 1 2 246.310 1.732 20 0 BDADLO Cc1cc(N)nc(SCc2cnc(C)nc2)[nH+]1 ZINC000505445240 226355212 /nfs/dbraw/zinc/35/52/12/226355212.db2.gz WJQKRPQBQZNDBP-UHFFFAOYSA-N 1 2 247.327 1.588 20 0 BDADLO COCC[N@H+](Cc1nccs1)C1CC1 ZINC000507156579 226366456 /nfs/dbraw/zinc/36/64/56/226366456.db2.gz UALCKXQTRNWGBV-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO COCC[N@@H+](Cc1nccs1)C1CC1 ZINC000507156579 226366457 /nfs/dbraw/zinc/36/64/57/226366457.db2.gz UALCKXQTRNWGBV-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000507371284 226368653 /nfs/dbraw/zinc/36/86/53/226368653.db2.gz ZBUCMQIKQVNLPX-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000507371284 226368654 /nfs/dbraw/zinc/36/86/54/226368654.db2.gz ZBUCMQIKQVNLPX-VHSXEESVSA-N 1 2 221.304 1.394 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)OCC1CC1 ZINC000495847709 226290546 /nfs/dbraw/zinc/29/05/46/226290546.db2.gz HKBMOUWISNQXQW-JTQLQIEISA-N 1 2 235.287 1.334 20 0 BDADLO CO[C@]1(C[NH2+][C@@H](C)c2cn[nH]c2C)CCOC1 ZINC000680858985 487659511 /nfs/dbraw/zinc/65/95/11/487659511.db2.gz PPPMQIGDQVEOMC-CABZTGNLSA-N 1 2 239.319 1.174 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1F ZINC000680864083 487660068 /nfs/dbraw/zinc/66/00/68/487660068.db2.gz DPDAIEFTHJCMPJ-PRJMDXOYSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C[C@H]1F ZINC000680864083 487660073 /nfs/dbraw/zinc/66/00/73/487660073.db2.gz DPDAIEFTHJCMPJ-PRJMDXOYSA-N 1 2 229.217 1.590 20 0 BDADLO CCc1cc(C)nc(NCc2[nH+]ccn2C)n1 ZINC000680955805 487678370 /nfs/dbraw/zinc/67/83/70/487678370.db2.gz RWPKQLBSNGVCDW-UHFFFAOYSA-N 1 2 231.303 1.693 20 0 BDADLO Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc[nH+]1 ZINC000087689615 487679019 /nfs/dbraw/zinc/67/90/19/487679019.db2.gz NPSQFSHXEDWKBS-BBBLOLIVSA-N 1 2 205.261 1.517 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H]1c1cc[nH]n1)NCC1CC1 ZINC000278593426 487685323 /nfs/dbraw/zinc/68/53/23/487685323.db2.gz LGTRRSTUCJJWEM-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO O=C(C[N@H+]1CCC[C@H]1c1cc[nH]n1)NCC1CC1 ZINC000278593426 487685328 /nfs/dbraw/zinc/68/53/28/487685328.db2.gz LGTRRSTUCJJWEM-LBPRGKRZSA-N 1 2 248.330 1.073 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC12CCC2 ZINC000675282725 487685991 /nfs/dbraw/zinc/68/59/91/487685991.db2.gz KGCRTKUZSIXOSN-NSHDSACASA-N 1 2 233.315 1.580 20 0 BDADLO CC(=O)CCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000669700455 487696477 /nfs/dbraw/zinc/69/64/77/487696477.db2.gz KOYFKOIOTNXTPG-UHFFFAOYSA-N 1 2 248.282 1.040 20 0 BDADLO COCC1(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC000653474534 487701195 /nfs/dbraw/zinc/70/11/95/487701195.db2.gz RZTPMWSLBFFCSM-UHFFFAOYSA-N 1 2 247.302 1.202 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)nn2)oc1C ZINC000669703928 487701227 /nfs/dbraw/zinc/70/12/27/487701227.db2.gz RSYSDBVWHXRSTB-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1c[nH+]c[nH]1 ZINC000671711679 487701673 /nfs/dbraw/zinc/70/16/73/487701673.db2.gz IHMALFCSLQSTCG-APPZFPTMSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1c[nH]c[nH+]1 ZINC000671711679 487701679 /nfs/dbraw/zinc/70/16/79/487701679.db2.gz IHMALFCSLQSTCG-APPZFPTMSA-N 1 2 249.236 1.561 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671714580 487704574 /nfs/dbraw/zinc/70/45/74/487704574.db2.gz YXICZUJQYDYHPI-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671714580 487704580 /nfs/dbraw/zinc/70/45/80/487704580.db2.gz YXICZUJQYDYHPI-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)NC1CC=CC1 ZINC000675323530 487704895 /nfs/dbraw/zinc/70/48/95/487704895.db2.gz XIJXNLNQFQXUEI-UHFFFAOYSA-N 1 2 246.314 1.511 20 0 BDADLO CCC(C)(CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000681048818 487705975 /nfs/dbraw/zinc/70/59/75/487705975.db2.gz PLSZHGFYBDMELN-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CCC(C)(CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000681048818 487705978 /nfs/dbraw/zinc/70/59/78/487705978.db2.gz PLSZHGFYBDMELN-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC(F)F ZINC000671719640 487707278 /nfs/dbraw/zinc/70/72/78/487707278.db2.gz PLGBTUILHGAZFL-UWVGGRQHSA-N 1 2 234.290 1.047 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+]Cc2cn(C)nn2)c1 ZINC000681053699 487708476 /nfs/dbraw/zinc/70/84/76/487708476.db2.gz BAPOFKQVEXJASS-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)C1CCC1 ZINC000457824488 487709062 /nfs/dbraw/zinc/70/90/62/487709062.db2.gz ZJSDNRHZVLLXSO-SECBINFHSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CC12CCC2)Cn1cc[nH+]c1 ZINC000675333109 487710434 /nfs/dbraw/zinc/71/04/34/487710434.db2.gz HKEJRXJQFTVJSW-NEPJUHHUSA-N 1 2 247.342 1.826 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)CC(=O)NC2CC2)o1 ZINC000683899751 487711494 /nfs/dbraw/zinc/71/14/94/487711494.db2.gz ZBYWJQJLSWRJBO-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)CC(=O)NC2CC2)o1 ZINC000683899751 487711499 /nfs/dbraw/zinc/71/14/99/487711499.db2.gz ZBYWJQJLSWRJBO-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc(N)[nH+]1 ZINC000631165578 487719925 /nfs/dbraw/zinc/71/99/25/487719925.db2.gz NXPHHKGKDVQMKV-IVZWLZJFSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)[nH+]1 ZINC000631165578 487719928 /nfs/dbraw/zinc/71/99/28/487719928.db2.gz NXPHHKGKDVQMKV-IVZWLZJFSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(NC2C[C@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631187992 487719935 /nfs/dbraw/zinc/71/99/35/487719935.db2.gz DJPGIEXTGLZEGN-BQBZGAKWSA-N 1 2 237.307 1.130 20 0 BDADLO Cc1nc(N)nc(NC2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631187992 487719937 /nfs/dbraw/zinc/71/99/37/487719937.db2.gz DJPGIEXTGLZEGN-BQBZGAKWSA-N 1 2 237.307 1.130 20 0 BDADLO CC(C)(C)[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000354417394 487720525 /nfs/dbraw/zinc/72/05/25/487720525.db2.gz HXZUNUHOMOHHMH-JTQLQIEISA-N 1 2 235.331 1.595 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000668419815 487722237 /nfs/dbraw/zinc/72/22/37/487722237.db2.gz MXLWXCNJEJYDNJ-QMTHXVAHSA-N 1 2 246.310 1.566 20 0 BDADLO CN(CC(C)(C)C)c1nc[nH+]c2c1OCCN2 ZINC000665697813 487732650 /nfs/dbraw/zinc/73/26/50/487732650.db2.gz VVSGQINNUFAVTN-UHFFFAOYSA-N 1 2 236.319 1.763 20 0 BDADLO CN(CC(C)(C)C)c1[nH+]cnc2c1OCCN2 ZINC000665697813 487732653 /nfs/dbraw/zinc/73/26/53/487732653.db2.gz VVSGQINNUFAVTN-UHFFFAOYSA-N 1 2 236.319 1.763 20 0 BDADLO CC[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665705931 487736446 /nfs/dbraw/zinc/73/64/46/487736446.db2.gz RTXMWUOZVTVAQA-SECBINFHSA-N 1 2 234.303 1.517 20 0 BDADLO CC[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665705931 487736450 /nfs/dbraw/zinc/73/64/50/487736450.db2.gz RTXMWUOZVTVAQA-SECBINFHSA-N 1 2 234.303 1.517 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665721748 487740506 /nfs/dbraw/zinc/74/05/06/487740506.db2.gz GHFHBHPBWIROMW-BDAKNGLRSA-N 1 2 234.303 1.739 20 0 BDADLO CC[C@@H]1C[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665721748 487740507 /nfs/dbraw/zinc/74/05/07/487740507.db2.gz GHFHBHPBWIROMW-BDAKNGLRSA-N 1 2 234.303 1.739 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666178287 487745749 /nfs/dbraw/zinc/74/57/49/487745749.db2.gz LAQJLTYNBCEAME-GHMZBOCLSA-N 1 2 235.331 1.782 20 0 BDADLO Cc1nc(N2CC(n3ccnc3)C2)c(C)c(C)[nH+]1 ZINC000675550076 487747022 /nfs/dbraw/zinc/74/70/22/487747022.db2.gz VEJXJRVFFGCUJQ-UHFFFAOYSA-N 1 2 243.314 1.660 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000669604049 487752944 /nfs/dbraw/zinc/75/29/44/487752944.db2.gz CDBBBTSNBDYFIW-UHFFFAOYSA-N 1 2 216.244 1.096 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1ccoc1)CC2 ZINC000681242693 487758942 /nfs/dbraw/zinc/75/89/42/487758942.db2.gz YHSKVKKFMFLMJA-UHFFFAOYSA-N 1 2 245.282 1.369 20 0 BDADLO FCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000759348339 585370546 /nfs/dbraw/zinc/37/05/46/585370546.db2.gz VIQXSMQRAXISBV-UHFFFAOYSA-N 1 2 201.285 1.991 20 0 BDADLO FCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000759348339 585370547 /nfs/dbraw/zinc/37/05/47/585370547.db2.gz VIQXSMQRAXISBV-UHFFFAOYSA-N 1 2 201.285 1.991 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)CCCF ZINC000887142333 585447230 /nfs/dbraw/zinc/44/72/30/585447230.db2.gz FVYXZGOVRLPECE-QMMMGPOBSA-N 1 2 200.261 1.168 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)CCCF ZINC000887142333 585447231 /nfs/dbraw/zinc/44/72/31/585447231.db2.gz FVYXZGOVRLPECE-QMMMGPOBSA-N 1 2 200.261 1.168 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679221704 487785014 /nfs/dbraw/zinc/78/50/14/487785014.db2.gz HAWBLTKCOMYMOK-WOPDTQHZSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679221704 487785020 /nfs/dbraw/zinc/78/50/20/487785020.db2.gz HAWBLTKCOMYMOK-WOPDTQHZSA-N 1 2 244.354 1.827 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679223482 487786064 /nfs/dbraw/zinc/78/60/64/487786064.db2.gz PYZBILMJESIHPJ-RYUDHWBXSA-N 1 2 244.354 1.973 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679223482 487786067 /nfs/dbraw/zinc/78/60/67/487786067.db2.gz PYZBILMJESIHPJ-RYUDHWBXSA-N 1 2 244.354 1.973 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000666352875 487792203 /nfs/dbraw/zinc/79/22/03/487792203.db2.gz HINGMSBMICLWLO-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666405903 487801020 /nfs/dbraw/zinc/80/10/20/487801020.db2.gz MDRBLUXITSWSBX-BBBLOLIVSA-N 1 2 233.315 1.287 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666405903 487801024 /nfs/dbraw/zinc/80/10/24/487801024.db2.gz MDRBLUXITSWSBX-BBBLOLIVSA-N 1 2 233.315 1.287 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666405906 487801212 /nfs/dbraw/zinc/80/12/12/487801212.db2.gz MDRBLUXITSWSBX-UTLUCORTSA-N 1 2 233.315 1.287 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666405906 487801221 /nfs/dbraw/zinc/80/12/21/487801221.db2.gz MDRBLUXITSWSBX-UTLUCORTSA-N 1 2 233.315 1.287 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)[C@@H](C)O1 ZINC000668031947 487806427 /nfs/dbraw/zinc/80/64/27/487806427.db2.gz NNCUVJROSVSXEA-GRYCIOLGSA-N 1 2 249.358 1.827 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC1 ZINC000665885052 487813056 /nfs/dbraw/zinc/81/30/56/487813056.db2.gz XQJSSUZDDNUPSZ-NXEZZACHSA-N 1 2 219.288 1.050 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000666490605 487820388 /nfs/dbraw/zinc/82/03/88/487820388.db2.gz RSMMADRAMIAYDQ-PWSUYJOCSA-N 1 2 235.287 1.111 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC2(COC2)C1 ZINC000666494838 487822321 /nfs/dbraw/zinc/82/23/21/487822321.db2.gz XHLRHRIORAKWDB-UHFFFAOYSA-N 1 2 247.298 1.066 20 0 BDADLO O=C(C1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828344 487822717 /nfs/dbraw/zinc/82/27/17/487822717.db2.gz BZHGAIVKXXWRKU-UHFFFAOYSA-N 1 2 233.315 1.916 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](F)C2)C1 ZINC000649937935 487824035 /nfs/dbraw/zinc/82/40/35/487824035.db2.gz BZBVECMQWNCPTI-SRVKXCTJSA-N 1 2 242.338 1.535 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@H](F)C2)C1 ZINC000649937935 487824038 /nfs/dbraw/zinc/82/40/38/487824038.db2.gz BZBVECMQWNCPTI-SRVKXCTJSA-N 1 2 242.338 1.535 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000676241299 487827769 /nfs/dbraw/zinc/82/77/69/487827769.db2.gz QXGDNTZCFRRPAK-NEPJUHHUSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000676241299 487827776 /nfs/dbraw/zinc/82/77/76/487827776.db2.gz QXGDNTZCFRRPAK-NEPJUHHUSA-N 1 2 234.274 1.461 20 0 BDADLO Cc1ncc([C@H](C)[NH+]2CCOCC2)c(C)n1 ZINC000681639640 487829088 /nfs/dbraw/zinc/82/90/88/487829088.db2.gz AKFBZJFRSJILHL-JTQLQIEISA-N 1 2 221.304 1.487 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681654043 487830913 /nfs/dbraw/zinc/83/09/13/487830913.db2.gz ZUTSKLFDRGVUBV-RYUDHWBXSA-N 1 2 248.330 1.467 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@H]2COC)no1 ZINC000674466874 487832774 /nfs/dbraw/zinc/83/27/74/487832774.db2.gz PAILQWBSBBNUSS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@H]2COC)no1 ZINC000674466874 487832779 /nfs/dbraw/zinc/83/27/79/487832779.db2.gz PAILQWBSBBNUSS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862881 528507109 /nfs/dbraw/zinc/50/71/09/528507109.db2.gz LJILXQMZIYCMOW-WAYWQWQTSA-N 1 2 221.304 1.975 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCC1(C)C ZINC000846963226 588298718 /nfs/dbraw/zinc/29/87/18/588298718.db2.gz XNTPNUCWJXMINE-SNVBAGLBSA-N 1 2 213.321 1.964 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCOC(F)F ZINC000851777858 588626741 /nfs/dbraw/zinc/62/67/41/588626741.db2.gz AOBZLXBGKSRQJA-KDZIRCDLSA-N 1 2 241.303 1.067 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C2CCC1CC2 ZINC000558393637 322949445 /nfs/dbraw/zinc/94/94/45/322949445.db2.gz JXHWOWSBGQLPEA-UHFFFAOYSA-N 1 2 219.288 1.116 20 0 BDADLO CCc1ccc(CC(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000668995466 487843973 /nfs/dbraw/zinc/84/39/73/487843973.db2.gz MLAFGZMFNFLDTJ-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO CCc1ccc(CC(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000668995466 487843974 /nfs/dbraw/zinc/84/39/74/487843974.db2.gz MLAFGZMFNFLDTJ-UHFFFAOYSA-N 1 2 244.298 1.226 20 0 BDADLO Cc1ccoc1CC(=O)NCc1c[nH+]c[nH]1 ZINC000668996202 487844664 /nfs/dbraw/zinc/84/46/64/487844664.db2.gz WOSKMBWLVZZOOB-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO Cc1ccoc1CC(=O)NCc1c[nH]c[nH+]1 ZINC000668996202 487844668 /nfs/dbraw/zinc/84/46/68/487844668.db2.gz WOSKMBWLVZZOOB-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO COc1ccc[nH+]c1NCc1cc(C)nn1C ZINC000575158405 487845972 /nfs/dbraw/zinc/84/59/72/487845972.db2.gz PLZBQRRJKWPQAJ-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cncc(F)c1 ZINC000681750494 487853115 /nfs/dbraw/zinc/85/31/15/487853115.db2.gz BSCLYWUWXWGLOF-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cncc(F)c1 ZINC000681750494 487853119 /nfs/dbraw/zinc/85/31/19/487853119.db2.gz BSCLYWUWXWGLOF-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO COCC(C)(C)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668496665 487853825 /nfs/dbraw/zinc/85/38/25/487853825.db2.gz AIKSCTOIWHFOJG-VIFPVBQESA-N 1 2 237.290 1.361 20 0 BDADLO COCC(C)(C)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000668496665 487853827 /nfs/dbraw/zinc/85/38/27/487853827.db2.gz AIKSCTOIWHFOJG-VIFPVBQESA-N 1 2 237.290 1.361 20 0 BDADLO Cc1nc(N2CCC[C@@H](OC(F)F)C2)cc[nH+]1 ZINC000679709359 487853889 /nfs/dbraw/zinc/85/38/89/487853889.db2.gz CDEFVLYOMAFGFM-SECBINFHSA-N 1 2 243.257 1.993 20 0 BDADLO Cc1nc(N2CCCOC[C@H]2C)cc[nH+]1 ZINC000676492976 487857034 /nfs/dbraw/zinc/85/70/34/487857034.db2.gz ZXHVYQLWCWKWOW-SECBINFHSA-N 1 2 207.277 1.400 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccccn1 ZINC000681793095 487863800 /nfs/dbraw/zinc/86/38/00/487863800.db2.gz MKVCDYGPQIUQDX-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO COCc1nnc(C[NH2+]C[C@@H](C)C(C)(C)C)[nH]1 ZINC000668509938 487867059 /nfs/dbraw/zinc/86/70/59/487867059.db2.gz LQBSOEIJPIWWKZ-SECBINFHSA-N 1 2 240.351 1.723 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1nnc[nH]1)C(C)(C)C ZINC000670264630 487867408 /nfs/dbraw/zinc/86/74/08/487867408.db2.gz GHJUBGWFUBVNIY-VIFPVBQESA-N 1 2 210.325 1.919 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1nnc[nH]1)C(C)(C)C ZINC000670264630 487867414 /nfs/dbraw/zinc/86/74/14/487867414.db2.gz GHJUBGWFUBVNIY-VIFPVBQESA-N 1 2 210.325 1.919 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CCCF ZINC000934821603 641280514 /nfs/dbraw/zinc/28/05/14/641280514.db2.gz SQJJDZJSKNDTRP-UHFFFAOYSA-N 1 2 205.273 1.666 20 0 BDADLO CCO[C@H](CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000531013185 322972899 /nfs/dbraw/zinc/97/28/99/322972899.db2.gz WZKRBKLZVZVMGZ-SNVBAGLBSA-N 1 2 225.292 1.149 20 0 BDADLO CCOCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000682033936 487885136 /nfs/dbraw/zinc/88/51/36/487885136.db2.gz WUYIGBGCRFKOSZ-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CCOCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000682033936 487885142 /nfs/dbraw/zinc/88/51/42/487885142.db2.gz WUYIGBGCRFKOSZ-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCCOC[C@@H]1C ZINC000676714553 487901863 /nfs/dbraw/zinc/90/18/63/487901863.db2.gz VZADNNDUIZGJDE-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCCOC[C@@H]1C ZINC000676714553 487901866 /nfs/dbraw/zinc/90/18/66/487901866.db2.gz VZADNNDUIZGJDE-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)[C@H](C)[C@H](C)O1 ZINC000682091062 487908575 /nfs/dbraw/zinc/90/85/75/487908575.db2.gz FFSISNNCAZHXHS-BBBLOLIVSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)[C@H](C)[C@H](C)O1 ZINC000682091062 487908577 /nfs/dbraw/zinc/90/85/77/487908577.db2.gz FFSISNNCAZHXHS-BBBLOLIVSA-N 1 2 210.277 1.672 20 0 BDADLO OCc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000227459903 487914225 /nfs/dbraw/zinc/91/42/25/487914225.db2.gz UEELAEBRXZMMQW-UHFFFAOYSA-N 1 2 235.312 1.320 20 0 BDADLO COC[C@@H](C)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682156956 487917964 /nfs/dbraw/zinc/91/79/64/487917964.db2.gz OSVXPRJPMCPUDW-DTWKUNHWSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@@H](C)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682156956 487917967 /nfs/dbraw/zinc/91/79/67/487917967.db2.gz OSVXPRJPMCPUDW-DTWKUNHWSA-N 1 2 241.253 1.532 20 0 BDADLO CC[NH+]1CCC(Nc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000387406366 487921730 /nfs/dbraw/zinc/92/17/30/487921730.db2.gz RTSHOJGJISFNIE-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792764 487929331 /nfs/dbraw/zinc/92/93/31/487929331.db2.gz RYSSVITUWQQROB-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000676792764 487929333 /nfs/dbraw/zinc/92/93/33/487929333.db2.gz RYSSVITUWQQROB-UHFFFAOYSA-N 1 2 245.330 1.745 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000676830795 487935468 /nfs/dbraw/zinc/93/54/68/487935468.db2.gz SDWBXFVSOPYYPO-JTQLQIEISA-N 1 2 237.303 1.147 20 0 BDADLO CC(C)(C)n1ncnc1C[N@H+]1CC=CCC1 ZINC000669932816 487936798 /nfs/dbraw/zinc/93/67/98/487936798.db2.gz LZMGTMOCAQHEPU-UHFFFAOYSA-N 1 2 220.320 1.795 20 0 BDADLO CC(C)(C)n1ncnc1C[N@@H+]1CC=CCC1 ZINC000669932816 487936803 /nfs/dbraw/zinc/93/68/03/487936803.db2.gz LZMGTMOCAQHEPU-UHFFFAOYSA-N 1 2 220.320 1.795 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000365101554 487938735 /nfs/dbraw/zinc/93/87/35/487938735.db2.gz UAFBSSSPEJQSIK-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nnnc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000365101554 487938740 /nfs/dbraw/zinc/93/87/40/487938740.db2.gz UAFBSSSPEJQSIK-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CCC[C@@H](O)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000682363682 487939081 /nfs/dbraw/zinc/93/90/81/487939081.db2.gz RIRGVCGOIWYOHA-ZJUUUORDSA-N 1 2 239.319 1.528 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCCCO1 ZINC000682366070 487940250 /nfs/dbraw/zinc/94/02/50/487940250.db2.gz NQFIBVSBIVYDHE-UHFFFAOYSA-N 1 2 223.276 1.217 20 0 BDADLO Cc1cncc(C[N@H+](C)CC(=O)N2CCCC2)c1 ZINC000682366495 487941137 /nfs/dbraw/zinc/94/11/37/487941137.db2.gz JNTCJAGJCNGGNG-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1cncc(C[N@@H+](C)CC(=O)N2CCCC2)c1 ZINC000682366495 487941144 /nfs/dbraw/zinc/94/11/44/487941144.db2.gz JNTCJAGJCNGGNG-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000676885806 487942028 /nfs/dbraw/zinc/94/20/28/487942028.db2.gz XYOJUEDRMNLFRK-CABZTGNLSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000672325485 487943610 /nfs/dbraw/zinc/94/36/10/487943610.db2.gz NDMALFKDGFTZIK-GHMZBOCLSA-N 1 2 246.314 1.616 20 0 BDADLO CCCCCNC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661083863 487949718 /nfs/dbraw/zinc/94/97/18/487949718.db2.gz NEDUJIDMCAWPRR-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO CCCCCNC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661083863 487949721 /nfs/dbraw/zinc/94/97/21/487949721.db2.gz NEDUJIDMCAWPRR-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncc(C)c1 ZINC000189750867 487952603 /nfs/dbraw/zinc/95/26/03/487952603.db2.gz BTKVXPOYXYVKNU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cncc(C)c1 ZINC000189750867 487952607 /nfs/dbraw/zinc/95/26/07/487952607.db2.gz BTKVXPOYXYVKNU-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cc(NC(=O)N2CCC(O)CC2)c(C)c[nH+]1 ZINC000560412414 322986988 /nfs/dbraw/zinc/98/69/88/322986988.db2.gz UDUNTVPRKVROFC-UHFFFAOYSA-N 1 2 249.314 1.109 20 0 BDADLO CC[C@@H]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000560453791 322987461 /nfs/dbraw/zinc/98/74/61/322987461.db2.gz WXJLPUDFOSAPRQ-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2ncccc2C)n1 ZINC000560930235 322993414 /nfs/dbraw/zinc/99/34/14/322993414.db2.gz FNMCJUHJGSYQLO-WAYWQWQTSA-N 1 2 230.271 1.663 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000561268625 322998405 /nfs/dbraw/zinc/99/84/05/322998405.db2.gz CRJHUIPTUXYXDD-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCCF ZINC000428481974 323000655 /nfs/dbraw/zinc/00/06/55/323000655.db2.gz GHRBYGKJCUAIRN-UHFFFAOYSA-N 1 2 213.256 1.127 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCCCF ZINC000428481974 323000656 /nfs/dbraw/zinc/00/06/56/323000656.db2.gz GHRBYGKJCUAIRN-UHFFFAOYSA-N 1 2 213.256 1.127 20 0 BDADLO Cc1cc2ccccc2[nH+]c1N(C)CCC(N)=O ZINC000561448439 323001749 /nfs/dbraw/zinc/00/17/49/323001749.db2.gz JVTGCUZLOFWTMJ-UHFFFAOYSA-N 1 2 243.310 1.855 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000564523206 323009254 /nfs/dbraw/zinc/00/92/54/323009254.db2.gz JEBBYVQBXCSMDV-GHMZBOCLSA-N 1 2 235.287 1.111 20 0 BDADLO CCO[C@H]1C[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000564523220 323009264 /nfs/dbraw/zinc/00/92/64/323009264.db2.gz JEBBYVQBXCSMDV-QWRGUYRKSA-N 1 2 235.287 1.111 20 0 BDADLO CC(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000562268128 323014358 /nfs/dbraw/zinc/01/43/58/323014358.db2.gz HUYQPCDPAIZCJP-UHFFFAOYSA-N 1 2 209.293 1.077 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ncnn1CCF ZINC000562510116 323022367 /nfs/dbraw/zinc/02/23/67/323022367.db2.gz FMUWJXQBIGMTAR-DTORHVGOSA-N 1 2 212.272 1.230 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ncnn1CCF ZINC000562510116 323022368 /nfs/dbraw/zinc/02/23/68/323022368.db2.gz FMUWJXQBIGMTAR-DTORHVGOSA-N 1 2 212.272 1.230 20 0 BDADLO CC1CCN(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000562528274 323023355 /nfs/dbraw/zinc/02/33/55/323023355.db2.gz FMEBPSNKVXFQKJ-UHFFFAOYSA-N 1 2 248.330 1.592 20 0 BDADLO COC(=O)c1csc(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000562542330 323023535 /nfs/dbraw/zinc/02/35/35/323023535.db2.gz ZWGQAINHTZQERP-OCAPTIKFSA-N 1 2 240.328 1.912 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000562542330 323023536 /nfs/dbraw/zinc/02/35/36/323023536.db2.gz ZWGQAINHTZQERP-OCAPTIKFSA-N 1 2 240.328 1.912 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCc1ccccn1)C1CC1 ZINC000562703508 323028258 /nfs/dbraw/zinc/02/82/58/323028258.db2.gz CKJOMTUKNXBUBI-AWEZNQCLSA-N 1 2 248.326 1.555 20 0 BDADLO Cn1cc(C[NH2+]Cc2noc3ccccc23)nn1 ZINC000565215533 323033865 /nfs/dbraw/zinc/03/38/65/323033865.db2.gz HXKIZWMWGKCTGW-UHFFFAOYSA-N 1 2 243.270 1.246 20 0 BDADLO CC(C)(NC(=O)Cn1cc[nH+]c1)c1cccs1 ZINC000569659271 323035838 /nfs/dbraw/zinc/03/58/38/323035838.db2.gz JUTUYBXPHNNBKU-UHFFFAOYSA-N 1 2 249.339 1.996 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)CC1 ZINC000569726774 323039150 /nfs/dbraw/zinc/03/91/50/323039150.db2.gz MTPUAURKADBROZ-HAQNSBGRSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N[C@H]2CC23CC3)[nH+]1 ZINC000570510589 323061721 /nfs/dbraw/zinc/06/17/21/323061721.db2.gz RGWSEQZXDZDDIK-VIFPVBQESA-N 1 2 247.346 1.447 20 0 BDADLO CC(C)c1nc(N[C@H]2CC23CC3)nc(N(C)C)[nH+]1 ZINC000570510589 323061722 /nfs/dbraw/zinc/06/17/22/323061722.db2.gz RGWSEQZXDZDDIK-VIFPVBQESA-N 1 2 247.346 1.447 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CCC(=O)C1 ZINC000570633551 323065354 /nfs/dbraw/zinc/06/53/54/323065354.db2.gz BLYZNEOCMYRILZ-LLVKDONJSA-N 1 2 249.314 1.149 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CO[C@H](C)C1)n1cc[nH+]c1 ZINC000570727906 323068778 /nfs/dbraw/zinc/06/87/78/323068778.db2.gz VNYWDBPYKPYZNU-HBNTYKKESA-N 1 2 237.303 1.128 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C2CCC1CC2 ZINC000570895078 323073551 /nfs/dbraw/zinc/07/35/51/323073551.db2.gz CQZYTJJLTCRHSG-UHFFFAOYSA-N 1 2 205.261 1.037 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201822 323085275 /nfs/dbraw/zinc/08/52/75/323085275.db2.gz MLDYNBGAJKVMHB-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1ncnc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201822 323085276 /nfs/dbraw/zinc/08/52/76/323085276.db2.gz MLDYNBGAJKVMHB-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CC[C@@H](Nc1nc(N)c2ccccc2[nH+]1)[C@H](C)O ZINC000571032594 323104170 /nfs/dbraw/zinc/10/41/70/323104170.db2.gz MYDCIWPGTUWLDX-WCBMZHEXSA-N 1 2 246.314 1.036 20 0 BDADLO CC(=O)CCSc1nc(N)cc(C)[nH+]1 ZINC000096999423 323104842 /nfs/dbraw/zinc/10/48/42/323104842.db2.gz XVRFXLKZRSGQKR-UHFFFAOYSA-N 1 2 211.290 1.438 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccn[nH]2)[nH+]1 ZINC000563284767 323108303 /nfs/dbraw/zinc/10/83/03/323108303.db2.gz JFTDDIBBADNAJW-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO Cc1cc(NC(=O)c2cccnc2)c(C)c[nH+]1 ZINC000534299635 323115917 /nfs/dbraw/zinc/11/59/17/323115917.db2.gz ZZDBVEUVQKRFJI-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO CCN(CC)C(=O)NCCNc1cccc[nH+]1 ZINC000531865023 323118370 /nfs/dbraw/zinc/11/83/70/323118370.db2.gz NTVZPBIQSTYGGX-UHFFFAOYSA-N 1 2 236.319 1.545 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C)CC1 ZINC000563380253 323121950 /nfs/dbraw/zinc/12/19/50/323121950.db2.gz BELLYUJBEPQMIP-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C)CC1 ZINC000563380253 323121951 /nfs/dbraw/zinc/12/19/51/323121951.db2.gz BELLYUJBEPQMIP-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO CCC1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000563381305 323121980 /nfs/dbraw/zinc/12/19/80/323121980.db2.gz QREXMTWIHKGXOA-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO CCC1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000563381305 323121981 /nfs/dbraw/zinc/12/19/81/323121981.db2.gz QREXMTWIHKGXOA-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@@H]1C ZINC000563398138 323122888 /nfs/dbraw/zinc/12/28/88/323122888.db2.gz OZNZYWALXCTLMV-BBBLOLIVSA-N 1 2 221.304 1.455 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@@H]1C ZINC000563398138 323122889 /nfs/dbraw/zinc/12/28/89/323122889.db2.gz OZNZYWALXCTLMV-BBBLOLIVSA-N 1 2 221.304 1.455 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC[S@@](=O)C1 ZINC000563420746 323124100 /nfs/dbraw/zinc/12/41/00/323124100.db2.gz XKEAKHLVDJDQTD-RFAUZJTJSA-N 1 2 225.317 1.026 20 0 BDADLO CC(C)n1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000563413083 323124857 /nfs/dbraw/zinc/12/48/57/323124857.db2.gz LORZIEHOAUDZHJ-SECBINFHSA-N 1 2 247.302 1.678 20 0 BDADLO COc1nn(C)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000563440543 323125963 /nfs/dbraw/zinc/12/59/63/323125963.db2.gz QUSCIDQCCNFQFT-UHFFFAOYSA-N 1 2 235.291 1.381 20 0 BDADLO CC[C@H](COC)Nc1nc(N)c2ccccc2[nH+]1 ZINC000563489315 323127754 /nfs/dbraw/zinc/12/77/54/323127754.db2.gz ZEBJEQIXMMFYLW-SECBINFHSA-N 1 2 246.314 1.301 20 0 BDADLO CCc1[nH+]c(C)ccc1OC[C@H]1CCCNC1=O ZINC000571150136 323136564 /nfs/dbraw/zinc/13/65/64/323136564.db2.gz QGWGFIGPIGZWFF-LLVKDONJSA-N 1 2 248.326 1.857 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000571202458 323138036 /nfs/dbraw/zinc/13/80/36/323138036.db2.gz ACEHITJOSLFKAT-VIFPVBQESA-N 1 2 238.335 1.159 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000571202458 323138037 /nfs/dbraw/zinc/13/80/37/323138037.db2.gz ACEHITJOSLFKAT-VIFPVBQESA-N 1 2 238.335 1.159 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+][C@H](CCO)C(F)F ZINC000571326562 323141512 /nfs/dbraw/zinc/14/15/12/323141512.db2.gz HYVQCDUZHZNTSI-NXEZZACHSA-N 1 2 239.306 1.389 20 0 BDADLO CC(C)CN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049459706 323160747 /nfs/dbraw/zinc/16/07/47/323160747.db2.gz GTSXQBJSDIRAAV-NSHDSACASA-N 1 2 238.335 1.569 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H]2CO)c(C)c[nH+]1 ZINC000535061189 323164815 /nfs/dbraw/zinc/16/48/15/323164815.db2.gz SUODMVVZEAHQRQ-NSHDSACASA-N 1 2 249.314 1.109 20 0 BDADLO CCCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535059086 323164935 /nfs/dbraw/zinc/16/49/35/323164935.db2.gz BYHSRUZFENSGPM-UHFFFAOYSA-N 1 2 221.304 1.994 20 0 BDADLO Cc1cc(CNC(=O)Nc2cc[nH+]cc2C)no1 ZINC000535060943 323164938 /nfs/dbraw/zinc/16/49/38/323164938.db2.gz OJAUTUGTIAZRPH-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO Cc1cc2[nH+]cn(CC3(CO)COC3)c2cc1C ZINC000304976783 323166330 /nfs/dbraw/zinc/16/63/30/323166330.db2.gz DMSHXSHWARYXAV-UHFFFAOYSA-N 1 2 246.310 1.662 20 0 BDADLO COC(=O)CSCc1cc(OC)cc(C)[nH+]1 ZINC000535256007 323169313 /nfs/dbraw/zinc/16/93/13/323169313.db2.gz YQHXHFARJKBKSR-UHFFFAOYSA-N 1 2 241.312 1.805 20 0 BDADLO COC(=O)C[C@@H]1CC[C@@H](Nc2c[nH]c[nH+]2)[C@H]1C ZINC000564537175 323174434 /nfs/dbraw/zinc/17/44/34/323174434.db2.gz PJLSMHKTTNYBDK-LPEHRKFASA-N 1 2 237.303 1.799 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC2(F)F)c(C)c[nH+]1 ZINC000563860586 323181389 /nfs/dbraw/zinc/18/13/89/323181389.db2.gz LVZKHZSTLPITPM-QMMMGPOBSA-N 1 2 226.226 1.714 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000529709883 323186059 /nfs/dbraw/zinc/18/60/59/323186059.db2.gz RWWCDMPYTXELJH-GFCCVEGCSA-N 1 2 245.326 1.528 20 0 BDADLO Nc1nc(NCc2ccoc2)[nH+]c2ccccc12 ZINC000535721327 323189219 /nfs/dbraw/zinc/18/92/19/323189219.db2.gz HNRWGIOXJNCASL-UHFFFAOYSA-N 1 2 240.266 1.669 20 0 BDADLO C[N@H+](Cc1cccs1)Cc1nnc2n1CCC2 ZINC000535782649 323191302 /nfs/dbraw/zinc/19/13/02/323191302.db2.gz HKFDCCUSQOXTFF-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO C[N@@H+](Cc1cccs1)Cc1nnc2n1CCC2 ZINC000535782649 323191303 /nfs/dbraw/zinc/19/13/03/323191303.db2.gz HKFDCCUSQOXTFF-UHFFFAOYSA-N 1 2 248.355 1.918 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000530002555 323195612 /nfs/dbraw/zinc/19/56/12/323195612.db2.gz MKEIAVCJUUMDMJ-VHSXEESVSA-N 1 2 247.323 1.686 20 0 BDADLO Cc1ocnc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575416 323198129 /nfs/dbraw/zinc/19/81/29/323198129.db2.gz RKMGFEVDSZVAAZ-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1cc(NC(=O)NC2(C3CC3)CC2)cc[nH+]1 ZINC000536620907 323198821 /nfs/dbraw/zinc/19/88/21/323198821.db2.gz KNZMRHLYLPIXPH-UHFFFAOYSA-N 1 2 231.299 1.876 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2c[nH]nc2C)cn1 ZINC000536670108 323200317 /nfs/dbraw/zinc/20/03/17/323200317.db2.gz HOMSELOOXWJFDX-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2c[nH]nc2C)cn1 ZINC000536670108 323200318 /nfs/dbraw/zinc/20/03/18/323200318.db2.gz HOMSELOOXWJFDX-UHFFFAOYSA-N 1 2 233.319 1.567 20 0 BDADLO CCC[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000041979414 323216097 /nfs/dbraw/zinc/21/60/97/323216097.db2.gz RHAZVYDUNMGRGP-SNVBAGLBSA-N 1 2 209.293 1.436 20 0 BDADLO CCC[C@@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418083780 323347470 /nfs/dbraw/zinc/34/74/70/323347470.db2.gz NDOIURNOSVCFRH-SECBINFHSA-N 1 2 219.350 1.151 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000530404351 323384494 /nfs/dbraw/zinc/38/44/94/323384494.db2.gz LNQKCRNIXXCJLS-IJLUTSLNSA-N 1 2 249.358 1.856 20 0 BDADLO CCOC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000309679414 323445544 /nfs/dbraw/zinc/44/55/44/323445544.db2.gz ZCABRYXZPYILLV-LLVKDONJSA-N 1 2 229.320 1.080 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000667212989 487958576 /nfs/dbraw/zinc/95/85/76/487958576.db2.gz HFYCPMWUCKZKLL-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000667212989 487958581 /nfs/dbraw/zinc/95/85/81/487958581.db2.gz HFYCPMWUCKZKLL-SNVBAGLBSA-N 1 2 247.342 1.964 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1(C)CCC1 ZINC000572194653 323562419 /nfs/dbraw/zinc/56/24/19/323562419.db2.gz HVKHNDDWGXVHEX-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CCn1ncc(CN[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000527924147 323730899 /nfs/dbraw/zinc/73/08/99/323730899.db2.gz PMMFPJWQEHKGID-ONGXEEELSA-N 1 2 246.318 1.290 20 0 BDADLO CC(C)CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000123089572 324081395 /nfs/dbraw/zinc/08/13/95/324081395.db2.gz DFIUZMQOJQFTGK-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CCc1cnc(CNc2nc[nH+]c(N)c2OC)o1 ZINC000231689840 324207197 /nfs/dbraw/zinc/20/71/97/324207197.db2.gz VKPPIEXBPCFXMR-UHFFFAOYSA-N 1 2 249.274 1.230 20 0 BDADLO CCc1cnc(CNc2[nH+]cnc(N)c2OC)o1 ZINC000231689840 324207200 /nfs/dbraw/zinc/20/72/00/324207200.db2.gz VKPPIEXBPCFXMR-UHFFFAOYSA-N 1 2 249.274 1.230 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCC12CC2 ZINC000529006744 324230700 /nfs/dbraw/zinc/23/07/00/324230700.db2.gz QQAOSSAPEVGTTP-LBPRGKRZSA-N 1 2 247.342 1.659 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000529074265 324244109 /nfs/dbraw/zinc/24/41/09/324244109.db2.gz OTLYRTYBXXNYDM-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529581665 324350790 /nfs/dbraw/zinc/35/07/90/324350790.db2.gz BKWFRGGTMIHRMM-FRRDWIJNSA-N 1 2 247.342 1.826 20 0 BDADLO Cn1nncc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529649004 324371213 /nfs/dbraw/zinc/37/12/13/324371213.db2.gz MKANSUGISLPHDD-UHFFFAOYSA-N 1 2 232.287 1.083 20 0 BDADLO c1coc(CC2C[NH+](Cc3cnccn3)C2)c1 ZINC000529648961 324371221 /nfs/dbraw/zinc/37/12/21/324371221.db2.gz LTNODTDSNWDOLS-UHFFFAOYSA-N 1 2 229.283 1.744 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000529664721 324373601 /nfs/dbraw/zinc/37/36/01/324373601.db2.gz DPCPZLHNIDXBHP-LBPRGKRZSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000529664721 324373605 /nfs/dbraw/zinc/37/36/05/324373605.db2.gz DPCPZLHNIDXBHP-LBPRGKRZSA-N 1 2 239.315 1.825 20 0 BDADLO O=C(NCC1CC=CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000529707953 324380911 /nfs/dbraw/zinc/38/09/11/324380911.db2.gz WAHUGNBURDLNFM-LBPRGKRZSA-N 1 2 245.326 1.528 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(Cc2ccco2)C1 ZINC000529861488 324415220 /nfs/dbraw/zinc/41/52/20/324415220.db2.gz AHEVYOMHYWBZLS-UHFFFAOYSA-N 1 2 245.282 1.246 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)Cc1ccccc1 ZINC000129229658 324930960 /nfs/dbraw/zinc/93/09/60/324930960.db2.gz FAROCJNNYRPQSZ-MRXNPFEDSA-N 1 2 234.324 1.869 20 0 BDADLO c1snnc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000130032577 325005952 /nfs/dbraw/zinc/00/59/52/325005952.db2.gz HLIJTFDTYLCSHI-VIFPVBQESA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000130032577 325005955 /nfs/dbraw/zinc/00/59/55/325005955.db2.gz HLIJTFDTYLCSHI-VIFPVBQESA-N 1 2 239.344 1.539 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)o2)ccn1 ZINC000542616471 325036662 /nfs/dbraw/zinc/03/66/62/325036662.db2.gz ZPJZWPBFRIPORV-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H](C)OC)C1CCCCC1 ZINC000542614560 325037309 /nfs/dbraw/zinc/03/73/09/325037309.db2.gz SNWFQCXYWATQJM-JQWIXIFHSA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(C)CC1 ZINC000130305983 325037726 /nfs/dbraw/zinc/03/77/26/325037726.db2.gz PDHIBCGHNRDEPR-UHFFFAOYSA-N 1 2 235.331 1.955 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ncccc1C ZINC000071339935 325069715 /nfs/dbraw/zinc/06/97/15/325069715.db2.gz GMWLUEAYUYGXRX-UHFFFAOYSA-N 1 2 230.315 1.896 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132493436 325221703 /nfs/dbraw/zinc/22/17/03/325221703.db2.gz XBYNYVVNSJXCDI-LBPRGKRZSA-N 1 2 249.358 1.769 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132493436 325221705 /nfs/dbraw/zinc/22/17/05/325221705.db2.gz XBYNYVVNSJXCDI-LBPRGKRZSA-N 1 2 249.358 1.769 20 0 BDADLO CC(C)OC(=O)CC[NH+]1CC(C(F)(F)F)C1 ZINC000564293259 325231758 /nfs/dbraw/zinc/23/17/58/325231758.db2.gz CLBGTNVBRXGAJS-UHFFFAOYSA-N 1 2 239.237 1.822 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnn(C)c1C ZINC000132863360 325249681 /nfs/dbraw/zinc/24/96/81/325249681.db2.gz VIMKGXAFHPONOI-UHFFFAOYSA-N 1 2 246.270 1.384 20 0 BDADLO Cc1cnc(C[NH+]2CCC(n3cncn3)CC2)o1 ZINC000075678688 325305981 /nfs/dbraw/zinc/30/59/81/325305981.db2.gz ULMAAAQSAXQVBX-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@]2(C)CCOC2)n1 ZINC000547257491 325334274 /nfs/dbraw/zinc/33/42/74/325334274.db2.gz JHHFZHLGSDLVOX-LBPRGKRZSA-N 1 2 248.286 1.072 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)NC1CCC1 ZINC000134453962 325359211 /nfs/dbraw/zinc/35/92/11/325359211.db2.gz IBLBJUITLHISBB-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000134492200 325361019 /nfs/dbraw/zinc/36/10/19/325361019.db2.gz DSMNHOZKQBZSRF-UHFFFAOYSA-N 1 2 233.246 1.521 20 0 BDADLO CC(C)SCC(=O)NCCc1c[nH+]cn1C ZINC000547483037 325361476 /nfs/dbraw/zinc/36/14/76/325361476.db2.gz OXODFRQKRBWILO-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO N#Cc1cnccc1NCc1ccn2cc[nH+]c2c1 ZINC000547511841 325367016 /nfs/dbraw/zinc/36/70/16/325367016.db2.gz KUOMDHOFCSFDCZ-UHFFFAOYSA-N 1 2 249.277 1.635 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(CO)o1 ZINC000547524897 325369327 /nfs/dbraw/zinc/36/93/27/325369327.db2.gz RIDRWVALHYOANJ-ZDUSSCGKSA-N 1 2 239.315 1.773 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(CO)o1 ZINC000547524897 325369330 /nfs/dbraw/zinc/36/93/30/325369330.db2.gz RIDRWVALHYOANJ-ZDUSSCGKSA-N 1 2 239.315 1.773 20 0 BDADLO CCN(C(C)=O)c1nc(C[N@H+](C)CC)cs1 ZINC000077242342 325371261 /nfs/dbraw/zinc/37/12/61/325371261.db2.gz SMDYVUWBTNRODB-UHFFFAOYSA-N 1 2 241.360 1.968 20 0 BDADLO CCN(C(C)=O)c1nc(C[N@@H+](C)CC)cs1 ZINC000077242342 325371262 /nfs/dbraw/zinc/37/12/62/325371262.db2.gz SMDYVUWBTNRODB-UHFFFAOYSA-N 1 2 241.360 1.968 20 0 BDADLO CCCN(CCC)C(=O)Cc1c[nH+]cn1C ZINC000547539879 325371703 /nfs/dbraw/zinc/37/17/03/325371703.db2.gz CYFGHDGSPVQQOR-UHFFFAOYSA-N 1 2 223.320 1.611 20 0 BDADLO O=C(/C=C/c1cccnc1)NCCc1[nH]cc[nH+]1 ZINC000135071466 325391836 /nfs/dbraw/zinc/39/18/36/325391836.db2.gz ZACRDNLXXKTIEJ-ONEGZZNKSA-N 1 2 242.282 1.177 20 0 BDADLO NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000078450240 325418840 /nfs/dbraw/zinc/41/88/40/325418840.db2.gz CCWGRKFKJKIIKZ-UHFFFAOYSA-N 1 2 230.271 1.100 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(NC(C)=O)cn1 ZINC000564346015 325444541 /nfs/dbraw/zinc/44/45/41/325444541.db2.gz DFKPVLZGEQFKRW-UHFFFAOYSA-N 1 2 246.270 1.293 20 0 BDADLO O=S1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000551068665 325548036 /nfs/dbraw/zinc/54/80/36/325548036.db2.gz FKKDOPHGAHHDSS-LBPRGKRZSA-N 1 2 227.373 1.940 20 0 BDADLO CCCCO[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552557589 325653196 /nfs/dbraw/zinc/65/31/96/325653196.db2.gz IFHFOMVKOHQRLT-ZJUUUORDSA-N 1 2 239.319 1.792 20 0 BDADLO CCc1nn(C)cc1NCc1[nH+]ccn1CC ZINC000091070647 325683243 /nfs/dbraw/zinc/68/32/43/325683243.db2.gz RYOCHLMFZSMJFO-UHFFFAOYSA-N 1 2 233.319 1.811 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1(CF)CCC1 ZINC000564889447 325823060 /nfs/dbraw/zinc/82/30/60/325823060.db2.gz CBLQLEACWSLRFW-UHFFFAOYSA-N 1 2 240.282 1.075 20 0 BDADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1O ZINC000565606803 325934269 /nfs/dbraw/zinc/93/42/69/325934269.db2.gz DHHYOUFYHAIQIP-UHFFFAOYSA-N 1 2 248.326 1.981 20 0 BDADLO Cc1cccc(F)c1NC(=O)Cn1cc[nH+]c1 ZINC000565935617 325975693 /nfs/dbraw/zinc/97/56/93/325975693.db2.gz SVHADSIPHPTVHG-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO Cc1cccc(CCSc2nncn2C)[nH+]1 ZINC000566209354 326013585 /nfs/dbraw/zinc/01/35/85/326013585.db2.gz TULUBOWRMAWLEN-UHFFFAOYSA-N 1 2 234.328 1.853 20 0 BDADLO C[C@H](CC(=O)NCC(C)(F)F)n1cc[nH+]c1 ZINC000566304833 326031573 /nfs/dbraw/zinc/03/15/73/326031573.db2.gz QQRXDQKHPWFKLS-MRVPVSSYSA-N 1 2 231.246 1.606 20 0 BDADLO C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1F)c1[nH]cc[nH+]1 ZINC000566471029 326052871 /nfs/dbraw/zinc/05/28/71/326052871.db2.gz QSVHQKZAAPFDFI-FWWHASMVSA-N 1 2 211.240 1.335 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC1(O)CCC1 ZINC000566485820 326057000 /nfs/dbraw/zinc/05/70/00/326057000.db2.gz WAQJNCZBIGMRCL-UHFFFAOYSA-N 1 2 221.304 1.232 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](F)C1 ZINC000566567978 326064760 /nfs/dbraw/zinc/06/47/60/326064760.db2.gz HSGUYSJVLNWVBI-VIFPVBQESA-N 1 2 225.267 1.221 20 0 BDADLO Cc1cnn(CCC(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000566572996 326065821 /nfs/dbraw/zinc/06/58/21/326065821.db2.gz ZUSCSXKYNDBYTB-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO CN(CCC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC000566731235 326077275 /nfs/dbraw/zinc/07/72/75/326077275.db2.gz NQPOUYXNCTWQLT-UHFFFAOYSA-N 1 2 235.209 1.294 20 0 BDADLO Cc1ocnc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567279155 326155047 /nfs/dbraw/zinc/15/50/47/326155047.db2.gz YEBYXICMFCYNBO-VIFPVBQESA-N 1 2 248.286 1.447 20 0 BDADLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)on1 ZINC000155027561 326180206 /nfs/dbraw/zinc/18/02/06/326180206.db2.gz SOJSIWQQCFTWBE-UHFFFAOYSA-N 1 2 248.286 1.342 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccn1C ZINC000567518023 326208951 /nfs/dbraw/zinc/20/89/51/326208951.db2.gz DIAZMCFACSFBSY-SNVBAGLBSA-N 1 2 246.314 1.243 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccn1C ZINC000567518023 326208954 /nfs/dbraw/zinc/20/89/54/326208954.db2.gz DIAZMCFACSFBSY-SNVBAGLBSA-N 1 2 246.314 1.243 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567519746 326209411 /nfs/dbraw/zinc/20/94/11/326209411.db2.gz PIDMDSZSXPFMBN-ZJUUUORDSA-N 1 2 239.319 1.648 20 0 BDADLO COc1ccnc(CNCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000567522402 326209944 /nfs/dbraw/zinc/20/99/44/326209944.db2.gz OQSXVTINLMDAAW-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)C1CCC1 ZINC000156253812 326225352 /nfs/dbraw/zinc/22/53/52/326225352.db2.gz IGODYJDZVCFVNM-BQYQJAHWSA-N 1 2 233.315 1.927 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000567604305 326227388 /nfs/dbraw/zinc/22/73/88/326227388.db2.gz OABHTHBYOPHTCZ-WISYIIOYSA-N 1 2 248.330 1.369 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000156821305 326243402 /nfs/dbraw/zinc/24/34/02/326243402.db2.gz DRQWAQKQDVUUND-WCQYABFASA-N 1 2 236.315 1.053 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cccnc1 ZINC000156821305 326243404 /nfs/dbraw/zinc/24/34/04/326243404.db2.gz DRQWAQKQDVUUND-WCQYABFASA-N 1 2 236.315 1.053 20 0 BDADLO COc1ccc[nH+]c1NCC1(CCO)CC1 ZINC000156834947 326243967 /nfs/dbraw/zinc/24/39/67/326243967.db2.gz SKXDURHNLUXAJY-UHFFFAOYSA-N 1 2 222.288 1.665 20 0 BDADLO Cc1cc(N[C@H]2CO[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000567768605 326256752 /nfs/dbraw/zinc/25/67/52/326256752.db2.gz SCIDXZQFFBHNDA-MWLCHTKSSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)nc1 ZINC000157147706 326258785 /nfs/dbraw/zinc/25/87/85/326258785.db2.gz AMBDWOZKJCXSSI-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)nc1 ZINC000157147706 326258787 /nfs/dbraw/zinc/25/87/87/326258787.db2.gz AMBDWOZKJCXSSI-NWDGAFQWSA-N 1 2 220.316 1.999 20 0 BDADLO COCC1(CNc2nc(C)[nH+]cc2C)CCC1 ZINC000567915227 326282880 /nfs/dbraw/zinc/28/28/80/326282880.db2.gz LITRTNMPLVSFMP-UHFFFAOYSA-N 1 2 235.331 1.744 20 0 BDADLO CC[N@H+](Cc1ccc(Cl)cn1)C1COC1 ZINC000568026787 326297841 /nfs/dbraw/zinc/29/78/41/326297841.db2.gz LHKVUKSFFOUTQK-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO CC[N@@H+](Cc1ccc(Cl)cn1)C1COC1 ZINC000568026787 326297842 /nfs/dbraw/zinc/29/78/42/326297842.db2.gz LHKVUKSFFOUTQK-UHFFFAOYSA-N 1 2 226.707 1.956 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@]12CCOC2)c1[nH]cc[nH+]1 ZINC000568107318 326308852 /nfs/dbraw/zinc/30/88/52/326308852.db2.gz JLHVYIYDONFFDY-KBVBSXBZSA-N 1 2 235.287 1.014 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCOC1)C1CC1 ZINC000568121104 326310207 /nfs/dbraw/zinc/31/02/07/326310207.db2.gz SAUFHAZEWSAFOF-GHMZBOCLSA-N 1 2 249.314 1.024 20 0 BDADLO CC(C)c1nsc(N2CCn3c[nH+]cc3C2)n1 ZINC000568151355 326313856 /nfs/dbraw/zinc/31/38/56/326313856.db2.gz XVIPTDARQREWFQ-UHFFFAOYSA-N 1 2 249.343 1.878 20 0 BDADLO CCc1ccc(C[N@@H+]2CCn3nncc3C2)cc1 ZINC000568183449 326322021 /nfs/dbraw/zinc/32/20/21/326322021.db2.gz UYUOKNJPYCVTGL-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCc1ccc(C[N@H+]2CCn3nncc3C2)cc1 ZINC000568183449 326322022 /nfs/dbraw/zinc/32/20/22/326322022.db2.gz UYUOKNJPYCVTGL-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCOC1CN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000568358830 326348841 /nfs/dbraw/zinc/34/88/41/326348841.db2.gz ZUJUFAWEKYHFHS-UHFFFAOYSA-N 1 2 249.314 1.373 20 0 BDADLO Cc1nnc(NCCCCn2cc[nH+]c2)nc1C ZINC000159125534 326350631 /nfs/dbraw/zinc/35/06/31/326350631.db2.gz OHKXGNIVFDEIJR-UHFFFAOYSA-N 1 2 246.318 1.577 20 0 BDADLO CC(C)(NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1[nH]cc[nH+]1 ZINC000568520718 326362631 /nfs/dbraw/zinc/36/26/31/326362631.db2.gz MZCSSXFMBYEQLU-MYJAWHEDSA-N 1 2 233.315 1.807 20 0 BDADLO Cc1cc(C(=O)COCc2[nH]cc[nH+]2)c(C)n1C ZINC000568547998 326364971 /nfs/dbraw/zinc/36/49/71/326364971.db2.gz YGWTVYBNLRKVBA-UHFFFAOYSA-N 1 2 247.298 1.765 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000568634799 326369794 /nfs/dbraw/zinc/36/97/94/326369794.db2.gz MHZRJQDBCVNERB-ZANVPECISA-N 1 2 249.289 1.761 20 0 BDADLO CCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000568664103 326371855 /nfs/dbraw/zinc/37/18/55/326371855.db2.gz IYWZBSJQFBHCEN-JGVFFNPUSA-N 1 2 208.265 1.208 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCCCCn1cc[nH+]c1 ZINC000568686299 326372488 /nfs/dbraw/zinc/37/24/88/326372488.db2.gz QVWPWBPYVUPALP-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)(NC(=O)C1CCOCC1)c1[nH]cc[nH+]1 ZINC000568757235 326375390 /nfs/dbraw/zinc/37/53/90/326375390.db2.gz DNHBBRPSDQQHJI-UHFFFAOYSA-N 1 2 237.303 1.188 20 0 BDADLO CC1(C[NH+]2CC(OCC(F)F)C2)CC1 ZINC000568966160 326384051 /nfs/dbraw/zinc/38/40/51/326384051.db2.gz LTYXYIWKYRSTNU-UHFFFAOYSA-N 1 2 205.248 1.752 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC1(C)C ZINC000569034680 326387598 /nfs/dbraw/zinc/38/75/98/326387598.db2.gz HOFCHXKYCWUVFQ-LLVKDONJSA-N 1 2 235.331 1.658 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)o1)[C@H]1CCOC1 ZINC000569050370 326387779 /nfs/dbraw/zinc/38/77/79/326387779.db2.gz LJKXLAQKCGWWTJ-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1CCOC1 ZINC000569050370 326387781 /nfs/dbraw/zinc/38/77/81/326387781.db2.gz LJKXLAQKCGWWTJ-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000569061792 326388171 /nfs/dbraw/zinc/38/81/71/326388171.db2.gz VUMOVZQEDRPQSD-VHSXEESVSA-N 1 2 225.292 1.368 20 0 BDADLO C[C@H](CC(=O)N1CC2(CC2)C1)n1cc[nH+]c1 ZINC000569110073 326390677 /nfs/dbraw/zinc/39/06/77/326390677.db2.gz FNLBPTXINITJRB-SNVBAGLBSA-N 1 2 219.288 1.457 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000163921232 326407299 /nfs/dbraw/zinc/40/72/99/326407299.db2.gz DCZKRGWNUJTVTD-AXFHLTTASA-N 1 2 243.347 1.323 20 0 BDADLO O=C(Cc1ccoc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147398 487972348 /nfs/dbraw/zinc/97/23/48/487972348.db2.gz MNUOIBABTUIODS-LLVKDONJSA-N 1 2 245.282 1.150 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000573181677 326433330 /nfs/dbraw/zinc/43/33/30/326433330.db2.gz UQXPGDPXIMBPQZ-ZSBIGDGJSA-N 1 2 231.299 1.732 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000573222407 326436717 /nfs/dbraw/zinc/43/67/17/326436717.db2.gz NFBOLKPCFSPZAR-HOSYDEDBSA-N 1 2 249.314 1.080 20 0 BDADLO COC(C)(C)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000682534031 487979721 /nfs/dbraw/zinc/97/97/21/487979721.db2.gz HSTXCSJSZPGTFB-SECBINFHSA-N 1 2 237.290 1.503 20 0 BDADLO COC(C)(C)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000682534031 487979723 /nfs/dbraw/zinc/97/97/23/487979723.db2.gz HSTXCSJSZPGTFB-SECBINFHSA-N 1 2 237.290 1.503 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccccn1 ZINC000653612232 487982193 /nfs/dbraw/zinc/98/21/93/487982193.db2.gz FAFZCMPGESUSEX-ZJUUUORDSA-N 1 2 243.314 1.866 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)o1 ZINC000093384460 487982955 /nfs/dbraw/zinc/98/29/55/487982955.db2.gz HBUOGYUXARADGO-VIFPVBQESA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)o1 ZINC000093384460 487982961 /nfs/dbraw/zinc/98/29/61/487982961.db2.gz HBUOGYUXARADGO-VIFPVBQESA-N 1 2 245.344 1.453 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC[C@H]2c2cccc(F)c2)C1=O ZINC000674009213 487985990 /nfs/dbraw/zinc/98/59/90/487985990.db2.gz HOXYETWHMBJBKR-STQMWFEESA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@H]([N@H+]2CC[C@H]2c2cccc(F)c2)C1=O ZINC000674009213 487985998 /nfs/dbraw/zinc/98/59/98/487985998.db2.gz HOXYETWHMBJBKR-STQMWFEESA-N 1 2 248.301 1.803 20 0 BDADLO CCC[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665690211 487988291 /nfs/dbraw/zinc/98/82/91/487988291.db2.gz AMCGZTYVKDJRMV-QMMMGPOBSA-N 1 2 222.292 1.881 20 0 BDADLO CCC[C@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665690211 487988296 /nfs/dbraw/zinc/98/82/96/487988296.db2.gz AMCGZTYVKDJRMV-QMMMGPOBSA-N 1 2 222.292 1.881 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013541 487994356 /nfs/dbraw/zinc/99/43/56/487994356.db2.gz OSMVZPHEXBWKIM-SNVBAGLBSA-N 1 2 208.236 1.058 20 0 BDADLO NC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013541 487994361 /nfs/dbraw/zinc/99/43/61/487994361.db2.gz OSMVZPHEXBWKIM-SNVBAGLBSA-N 1 2 208.236 1.058 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCc1[nH]cc[nH+]1 ZINC000668603093 487996128 /nfs/dbraw/zinc/99/61/28/487996128.db2.gz BITFXFGFQMBPPH-VIFPVBQESA-N 1 2 233.271 1.498 20 0 BDADLO Cc1ccn([C@H](C)CC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000668604630 487998121 /nfs/dbraw/zinc/99/81/21/487998121.db2.gz RWQUBPKFYZBOER-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO CCc1c[nH]c(=O)c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000668604859 487998586 /nfs/dbraw/zinc/99/85/86/487998586.db2.gz VDICSANACPEWNH-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc(NCC2CC2)[nH+]cn1 ZINC000682619212 488002221 /nfs/dbraw/zinc/00/22/21/488002221.db2.gz FFOBZDRGGKEKDE-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc(NCC2CC2)nc[nH+]1 ZINC000682619212 488002226 /nfs/dbraw/zinc/00/22/26/488002226.db2.gz FFOBZDRGGKEKDE-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC1(C)C ZINC000134869916 488002816 /nfs/dbraw/zinc/00/28/16/488002816.db2.gz KDLZUVAXWONFSL-ZCFIWIBFSA-N 1 2 208.265 1.278 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC1(C)C ZINC000134869916 488002823 /nfs/dbraw/zinc/00/28/23/488002823.db2.gz KDLZUVAXWONFSL-ZCFIWIBFSA-N 1 2 208.265 1.278 20 0 BDADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)C)sn1 ZINC000682674048 488011199 /nfs/dbraw/zinc/01/11/99/488011199.db2.gz YSVZVKMGOSKRCF-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO Cc1cc(C[N@H+](CC(N)=O)C(C)C)sn1 ZINC000682674048 488011206 /nfs/dbraw/zinc/01/12/06/488011206.db2.gz YSVZVKMGOSKRCF-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO CC[C@H](NC(=O)Cc1ccoc1)c1[nH]cc[nH+]1 ZINC000442793124 488019372 /nfs/dbraw/zinc/01/93/72/488019372.db2.gz AVAAMYAQHOSXKW-JTQLQIEISA-N 1 2 233.271 1.813 20 0 BDADLO CN(Cc1cnn(C)c1)Cc1c[nH+]c2n1CCC2 ZINC000667484453 488024378 /nfs/dbraw/zinc/02/43/78/488024378.db2.gz MONLVRSZJRTSCB-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000667495496 488027457 /nfs/dbraw/zinc/02/74/57/488027457.db2.gz LPSZAHRJAZOVKX-MRVPVSSYSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000667495496 488027460 /nfs/dbraw/zinc/02/74/60/488027460.db2.gz LPSZAHRJAZOVKX-MRVPVSSYSA-N 1 2 249.236 1.006 20 0 BDADLO Cc1ccc2cc(C[N@H+](C)CC(N)=O)[nH]c2c1 ZINC000667496516 488028451 /nfs/dbraw/zinc/02/84/51/488028451.db2.gz XJTACFBFBQEKNP-UHFFFAOYSA-N 1 2 231.299 1.393 20 0 BDADLO Cc1ccc2cc(C[N@@H+](C)CC(N)=O)[nH]c2c1 ZINC000667496516 488028457 /nfs/dbraw/zinc/02/84/57/488028457.db2.gz XJTACFBFBQEKNP-UHFFFAOYSA-N 1 2 231.299 1.393 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682758216 488030186 /nfs/dbraw/zinc/03/01/86/488030186.db2.gz AWYMDDRVSSDZSR-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682758216 488030190 /nfs/dbraw/zinc/03/01/90/488030190.db2.gz AWYMDDRVSSDZSR-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1cc(C)ncn1 ZINC000677425162 488033971 /nfs/dbraw/zinc/03/39/71/488033971.db2.gz ZQDNNFKIBWFHHN-UHFFFAOYSA-N 1 2 232.287 1.680 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3c2CCC3)[C@@H](C)CO1 ZINC000667517723 488036260 /nfs/dbraw/zinc/03/62/60/488036260.db2.gz CQZDYMYGYPHSNX-WDEREUQCSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)[C@@H](C)CO1 ZINC000667517723 488036264 /nfs/dbraw/zinc/03/62/64/488036264.db2.gz CQZDYMYGYPHSNX-WDEREUQCSA-N 1 2 235.331 1.439 20 0 BDADLO CC[C@@H]1COCCN1Cc1c[nH+]c2n1CCC2 ZINC000667532422 488040114 /nfs/dbraw/zinc/04/01/14/488040114.db2.gz MLQLSADCXPEWJT-LLVKDONJSA-N 1 2 235.331 1.440 20 0 BDADLO C[N@H+](Cc1cn(C2CCC2)nn1)[C@H]1CCOC1 ZINC000667597364 488056050 /nfs/dbraw/zinc/05/60/50/488056050.db2.gz KRZMFGAQANLXMG-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO C[N@@H+](Cc1cn(C2CCC2)nn1)[C@H]1CCOC1 ZINC000667597364 488056052 /nfs/dbraw/zinc/05/60/52/488056052.db2.gz KRZMFGAQANLXMG-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078526 488061094 /nfs/dbraw/zinc/06/10/94/488061094.db2.gz CSZZSAQBBDRQHS-VHSXEESVSA-N 1 2 248.330 1.347 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670078527 488061131 /nfs/dbraw/zinc/06/11/31/488061131.db2.gz CSZZSAQBBDRQHS-ZJUUUORDSA-N 1 2 248.330 1.347 20 0 BDADLO COC1(CC(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000682901702 488062533 /nfs/dbraw/zinc/06/25/33/488062533.db2.gz WCWNATJXVVGYCN-UHFFFAOYSA-N 1 2 249.314 1.226 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)NC1CC=CC1 ZINC000670080168 488064786 /nfs/dbraw/zinc/06/47/86/488064786.db2.gz VWPXYUSDAZLXAR-UHFFFAOYSA-N 1 2 246.314 1.410 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000249041208 488067451 /nfs/dbraw/zinc/06/74/51/488067451.db2.gz CDOWPSNMNUXBEA-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000249041208 488067458 /nfs/dbraw/zinc/06/74/58/488067458.db2.gz CDOWPSNMNUXBEA-QJPTWQEYSA-N 1 2 242.363 1.400 20 0 BDADLO O=C(c1cnco1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000677538987 488068220 /nfs/dbraw/zinc/06/82/20/488068220.db2.gz OETXWUSLJDYBRM-SNVBAGLBSA-N 1 2 246.270 1.348 20 0 BDADLO CCn1cnc(C(=O)Nc2c[nH+]ccc2OC)c1 ZINC000667679881 488084297 /nfs/dbraw/zinc/08/42/97/488084297.db2.gz QPSRMRCGAOXDEW-UHFFFAOYSA-N 1 2 246.270 1.559 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000683011881 488091649 /nfs/dbraw/zinc/09/16/49/488091649.db2.gz VPVJKQRJMJWWCK-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000683011881 488091652 /nfs/dbraw/zinc/09/16/52/488091652.db2.gz VPVJKQRJMJWWCK-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnnn1C)c1ccccc1F ZINC000389387795 488093495 /nfs/dbraw/zinc/09/34/95/488093495.db2.gz QKKYICCWVGVTQT-LLVKDONJSA-N 1 2 249.293 1.590 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1ncccn1 ZINC000683019109 488095570 /nfs/dbraw/zinc/09/55/70/488095570.db2.gz YVJSUOSBXKUSSO-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1ncccn1 ZINC000683019109 488095574 /nfs/dbraw/zinc/09/55/74/488095574.db2.gz YVJSUOSBXKUSSO-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CCc1nnc(C[N@@H+](C)Cc2ccn(CC)c2)[nH]1 ZINC000683029019 488098803 /nfs/dbraw/zinc/09/88/03/488098803.db2.gz IDFLIAYMQLQFMZ-UHFFFAOYSA-N 1 2 247.346 1.821 20 0 BDADLO CCc1nnc(C[N@H+](C)Cc2ccn(CC)c2)[nH]1 ZINC000683029019 488098809 /nfs/dbraw/zinc/09/88/09/488098809.db2.gz IDFLIAYMQLQFMZ-UHFFFAOYSA-N 1 2 247.346 1.821 20 0 BDADLO CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]c(C(=O)[O-])c1 ZINC000092632978 488099386 /nfs/dbraw/zinc/09/93/86/488099386.db2.gz WPJWFSJJLLVDLW-LLVKDONJSA-N 1 2 249.314 1.310 20 0 BDADLO CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]c(C(=O)[O-])c1 ZINC000092632978 488099391 /nfs/dbraw/zinc/09/93/91/488099391.db2.gz WPJWFSJJLLVDLW-LLVKDONJSA-N 1 2 249.314 1.310 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000683028728 488101082 /nfs/dbraw/zinc/10/10/82/488101082.db2.gz BUUOARYKCAQTLS-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000683028728 488101085 /nfs/dbraw/zinc/10/10/85/488101085.db2.gz BUUOARYKCAQTLS-NSHDSACASA-N 1 2 233.315 1.100 20 0 BDADLO COCC1([N@H+](C)Cc2nccs2)CC1 ZINC000677727777 488104650 /nfs/dbraw/zinc/10/46/50/488104650.db2.gz GMCOVSWKQNXGJV-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO COCC1([N@@H+](C)Cc2nccs2)CC1 ZINC000677727777 488104654 /nfs/dbraw/zinc/10/46/54/488104654.db2.gz GMCOVSWKQNXGJV-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1C[C@H]1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000683108929 488107603 /nfs/dbraw/zinc/10/76/03/488107603.db2.gz AMAWHHCCHYAPSO-MNOVXSKESA-N 1 2 235.331 1.578 20 0 BDADLO CC[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000666682807 488107407 /nfs/dbraw/zinc/10/74/07/488107407.db2.gz VEOKUBFCEXLEHI-LBPRGKRZSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@H](C(=O)NC1CC1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734945 488113193 /nfs/dbraw/zinc/11/31/93/488113193.db2.gz WSCHADZWCAPTMU-MRVPVSSYSA-N 1 2 244.285 1.385 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000666399985 488113194 /nfs/dbraw/zinc/11/31/94/488113194.db2.gz LDKLZMJSJWQVRT-SNVBAGLBSA-N 1 2 249.289 1.733 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2[nH]nc3ccccc32)CCO1 ZINC000666399985 488113196 /nfs/dbraw/zinc/11/31/96/488113196.db2.gz LDKLZMJSJWQVRT-SNVBAGLBSA-N 1 2 249.289 1.733 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000670108408 488116805 /nfs/dbraw/zinc/11/68/05/488116805.db2.gz PYWNIIOXBMKLEO-ZETCQYMHSA-N 1 2 247.245 1.446 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000670108408 488116809 /nfs/dbraw/zinc/11/68/09/488116809.db2.gz PYWNIIOXBMKLEO-ZETCQYMHSA-N 1 2 247.245 1.446 20 0 BDADLO Cc1cc(N2CCOC[C@@H]2c2ccco2)nc[nH+]1 ZINC000674068708 488119301 /nfs/dbraw/zinc/11/93/01/488119301.db2.gz OBUPNQXQGURIRH-LLVKDONJSA-N 1 2 245.282 1.956 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCCc2sccc2C1 ZINC000674252056 487537930 /nfs/dbraw/zinc/53/79/30/487537930.db2.gz ZAJPBKQNWBNKEV-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1ncnc1C[N@H+]1CCCc2sccc2C1 ZINC000674252056 487537935 /nfs/dbraw/zinc/53/79/35/487537935.db2.gz ZAJPBKQNWBNKEV-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC=CC1 ZINC000655222554 487544404 /nfs/dbraw/zinc/54/44/04/487544404.db2.gz DCBHLDXDEMIZIH-LLVKDONJSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)C[C@@H](O)C2CC2)no1 ZINC000685566339 487548619 /nfs/dbraw/zinc/54/86/19/487548619.db2.gz ITEUJEDGGXOLFM-GMSGAONNSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@@H](O)C2CC2)no1 ZINC000685566339 487548623 /nfs/dbraw/zinc/54/86/23/487548623.db2.gz ITEUJEDGGXOLFM-GMSGAONNSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1oc(C)nc1C)CC2 ZINC000685572339 487552539 /nfs/dbraw/zinc/55/25/39/487552539.db2.gz RVRWRBJGYYHTSX-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2c[nH]cn2)c1 ZINC000680259415 487554646 /nfs/dbraw/zinc/55/46/46/487554646.db2.gz CPQPXNHJSSUAAA-UHFFFAOYSA-N 1 2 231.259 1.123 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1csnn1 ZINC000668240940 487533070 /nfs/dbraw/zinc/53/30/70/487533070.db2.gz XBTCSHYRRWBUDF-OVYXKVPISA-N 1 2 239.344 1.756 20 0 BDADLO Cc1noc2ncnc(N(C)Cc3[nH]cc[nH+]3)c12 ZINC000669652597 487471458 /nfs/dbraw/zinc/47/14/58/487471458.db2.gz JWQSNFQUDQTUSI-UHFFFAOYSA-N 1 2 244.258 1.286 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000679853172 487472677 /nfs/dbraw/zinc/47/26/77/487472677.db2.gz JEBLNOHHABPAGI-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO CO[C@H](C)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000679853172 487472682 /nfs/dbraw/zinc/47/26/82/487472682.db2.gz JEBLNOHHABPAGI-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO C[N@H+](CC(=O)Nc1ccccc1)Cc1cn[nH]c1 ZINC000673927833 487485735 /nfs/dbraw/zinc/48/57/35/487485735.db2.gz OWVBMAXQBCQVPP-UHFFFAOYSA-N 1 2 244.298 1.480 20 0 BDADLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cn[nH]c1 ZINC000673927833 487485738 /nfs/dbraw/zinc/48/57/38/487485738.db2.gz OWVBMAXQBCQVPP-UHFFFAOYSA-N 1 2 244.298 1.480 20 0 BDADLO O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000668760209 487495215 /nfs/dbraw/zinc/49/52/15/487495215.db2.gz YLEIXTQMRYIFGY-CYZMBNFOSA-N 1 2 245.326 1.703 20 0 BDADLO CCCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000668230587 487495489 /nfs/dbraw/zinc/49/54/89/487495489.db2.gz XMFBMSIZSGLROT-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO CCCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000668230587 487495495 /nfs/dbraw/zinc/49/54/95/487495495.db2.gz XMFBMSIZSGLROT-SNVBAGLBSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000679943805 487499262 /nfs/dbraw/zinc/49/92/62/487499262.db2.gz ZXEVUCHGBJHMGL-QMMMGPOBSA-N 1 2 233.275 1.065 20 0 BDADLO FC1CC2(C1)CN(Cc1c[nH+]c3n1CCC3)C2 ZINC000668232079 487499664 /nfs/dbraw/zinc/49/96/64/487499664.db2.gz BCQBPIHSWFBUPL-UHFFFAOYSA-N 1 2 235.306 1.763 20 0 BDADLO CCOC1(C)C[NH+](Cc2cnn3c2CCC3)C1 ZINC000668232430 487501107 /nfs/dbraw/zinc/50/11/07/487501107.db2.gz QNEKVWZIBKDTMS-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCCOC3)nn2c1CCC2 ZINC000668232428 487501152 /nfs/dbraw/zinc/50/11/52/487501152.db2.gz QMAFWDSKQDZBPR-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO [NH3+]C1(CC(=O)Nc2ccc3nn[nH]c3c2)CCC1 ZINC000237730048 487505450 /nfs/dbraw/zinc/50/54/50/487505450.db2.gz KEEYSQQPTZVOLL-UHFFFAOYSA-N 1 2 245.286 1.168 20 0 BDADLO Cc1cc(N2CC(C3CCOCC3)C2)nc[nH+]1 ZINC000669661365 487511698 /nfs/dbraw/zinc/51/16/98/487511698.db2.gz UTUMLRVWSAXKLT-UHFFFAOYSA-N 1 2 233.315 1.648 20 0 BDADLO CC(C)(C(=O)Nc1ccc(F)cn1)c1c[nH+]c[nH]1 ZINC000670460283 487512122 /nfs/dbraw/zinc/51/21/22/487512122.db2.gz MKIZWJJCJYMALO-UHFFFAOYSA-N 1 2 248.261 1.860 20 0 BDADLO CC(C)(C(=O)Nc1ccc(F)cn1)c1c[nH]c[nH+]1 ZINC000670460283 487512129 /nfs/dbraw/zinc/51/21/29/487512129.db2.gz MKIZWJJCJYMALO-UHFFFAOYSA-N 1 2 248.261 1.860 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668704530 488142105 /nfs/dbraw/zinc/14/21/05/488142105.db2.gz DIIUHNHMFMTXCY-ZYHUDNBSSA-N 1 2 221.304 1.186 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668704530 488142108 /nfs/dbraw/zinc/14/21/08/488142108.db2.gz DIIUHNHMFMTXCY-ZYHUDNBSSA-N 1 2 221.304 1.186 20 0 BDADLO CC(C)C1C[NH+](Cc2cn(C(C)C)nn2)C1 ZINC000685430370 487522199 /nfs/dbraw/zinc/52/21/99/487522199.db2.gz KJIYDAYFTQWTML-UHFFFAOYSA-N 1 2 222.336 1.947 20 0 BDADLO CCc1nnc(C[NH+]2CCC(OC)CC2)s1 ZINC000680043449 487524918 /nfs/dbraw/zinc/52/49/18/487524918.db2.gz GHRAJNOGQIJOQY-UHFFFAOYSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+](C)C[C@H]2CCCO2)s1 ZINC000680044652 487526430 /nfs/dbraw/zinc/52/64/30/487526430.db2.gz AGOXTSLHVUSPAN-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@@H+](C)C[C@H]2CCCO2)s1 ZINC000680044652 487526433 /nfs/dbraw/zinc/52/64/33/487526433.db2.gz AGOXTSLHVUSPAN-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO OC[C@@H]1CCCCC[N@@H+]1Cc1csnn1 ZINC000379843310 488153351 /nfs/dbraw/zinc/15/33/51/488153351.db2.gz HELLKTJEGXDNPA-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO OC[C@@H]1CCCCC[N@H+]1Cc1csnn1 ZINC000379843310 488153355 /nfs/dbraw/zinc/15/33/55/488153355.db2.gz HELLKTJEGXDNPA-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H]2CCC[C@@H]2F)nn1 ZINC000339590030 488159759 /nfs/dbraw/zinc/15/97/59/488159759.db2.gz MSCFQPCFPXNNCZ-QWRGUYRKSA-N 1 2 226.299 1.839 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)CC1CCCC1 ZINC000670983172 487535571 /nfs/dbraw/zinc/53/55/71/487535571.db2.gz PQURRQDZCAMUIT-GFCCVEGCSA-N 1 2 237.347 1.783 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)CC1CCCC1 ZINC000670983172 487535581 /nfs/dbraw/zinc/53/55/81/487535581.db2.gz PQURRQDZCAMUIT-GFCCVEGCSA-N 1 2 237.347 1.783 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOC[C@H]2C)o1 ZINC000685578118 487557139 /nfs/dbraw/zinc/55/71/39/487557139.db2.gz SQQWZGQHAMYGGX-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOC[C@H]2C)o1 ZINC000685578118 487557143 /nfs/dbraw/zinc/55/71/43/487557143.db2.gz SQQWZGQHAMYGGX-MRVPVSSYSA-N 1 2 210.277 1.512 20 0 BDADLO CCCc1nnnn1Cc1[nH+]ccn1C(F)F ZINC000674345461 487562649 /nfs/dbraw/zinc/56/26/49/487562649.db2.gz CEYBRSDVTFZIGL-UHFFFAOYSA-N 1 2 242.233 1.266 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000119638014 487602840 /nfs/dbraw/zinc/60/28/40/487602840.db2.gz AIHHFSXGSDAWIR-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000119638014 487602843 /nfs/dbraw/zinc/60/28/43/487602843.db2.gz AIHHFSXGSDAWIR-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665924671 487649845 /nfs/dbraw/zinc/64/98/45/487649845.db2.gz YZURLTGDHOSBCK-GHMZBOCLSA-N 1 2 235.331 1.782 20 0 BDADLO Cc1nc(N2CCO[C@H]([C@H]3CCCO3)C2)cc[nH+]1 ZINC000674934859 487658517 /nfs/dbraw/zinc/65/85/17/487658517.db2.gz DVMSORSGEVECNX-NEPJUHHUSA-N 1 2 249.314 1.169 20 0 BDADLO CCc1noc(C[N@H+](C)CC(C)(C)OC)n1 ZINC000675199843 487680458 /nfs/dbraw/zinc/68/04/58/487680458.db2.gz GTNMHEJJWBEEOL-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1noc(C[N@@H+](C)CC(C)(C)OC)n1 ZINC000675199843 487680462 /nfs/dbraw/zinc/68/04/62/487680462.db2.gz GTNMHEJJWBEEOL-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1cnc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000677802352 488125765 /nfs/dbraw/zinc/12/57/65/488125765.db2.gz OFCTXUIYGSMZOZ-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CCC[C@H]1C ZINC000230720949 488141952 /nfs/dbraw/zinc/14/19/52/488141952.db2.gz PVDOQWXMIAXILT-RKDXNWHRSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CCC[C@H]1C ZINC000230720949 488141957 /nfs/dbraw/zinc/14/19/57/488141957.db2.gz PVDOQWXMIAXILT-RKDXNWHRSA-N 1 2 236.319 1.916 20 0 BDADLO Cc1noc(C[N@H+](C)CCOC(C)(C)C)n1 ZINC000676042696 488155041 /nfs/dbraw/zinc/15/50/41/488155041.db2.gz CHPYLRNRPGTOHN-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOC(C)(C)C)n1 ZINC000676042696 488155047 /nfs/dbraw/zinc/15/50/47/488155047.db2.gz CHPYLRNRPGTOHN-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cccnc2)nn1 ZINC000404417514 488157254 /nfs/dbraw/zinc/15/72/54/488157254.db2.gz AEVBMFSIIVEROW-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO CC[C@H](NC(=O)c1n[nH]cc1C)c1[nH]cc[nH+]1 ZINC000380053649 488169105 /nfs/dbraw/zinc/16/91/05/488169105.db2.gz WDPUZKQEMGKHGP-QMMMGPOBSA-N 1 2 233.275 1.322 20 0 BDADLO c1nn2c(c1C[N@@H+]1CCO[C@H](C3CC3)C1)CCC2 ZINC000668005912 488183260 /nfs/dbraw/zinc/18/32/60/488183260.db2.gz BITIPRBYGRLYKG-AWEZNQCLSA-N 1 2 247.342 1.440 20 0 BDADLO c1nn2c(c1C[N@H+]1CCO[C@H](C3CC3)C1)CCC2 ZINC000668005912 488183263 /nfs/dbraw/zinc/18/32/63/488183263.db2.gz BITIPRBYGRLYKG-AWEZNQCLSA-N 1 2 247.342 1.440 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000668029711 488190201 /nfs/dbraw/zinc/19/02/01/488190201.db2.gz OMSBBFUOFAYHJV-RYUDHWBXSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cc(NC(=O)N2CCCOC[C@@H]2C)cc[nH+]1 ZINC000678096296 488197231 /nfs/dbraw/zinc/19/72/31/488197231.db2.gz KOXIMJCCAXTGRV-NSHDSACASA-N 1 2 249.314 1.455 20 0 BDADLO Cc1cc(NC(=O)NCc2cocn2)cc[nH+]1 ZINC000678096574 488197265 /nfs/dbraw/zinc/19/72/65/488197265.db2.gz QKNFWDDVGJXJHX-UHFFFAOYSA-N 1 2 232.243 1.122 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1nccs1 ZINC000683621695 488203481 /nfs/dbraw/zinc/20/34/81/488203481.db2.gz CIOSUGJUFSUTEF-UHFFFAOYSA-N 1 2 233.296 1.775 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)nc2)[C@@H](C)CO1 ZINC000678153667 488209740 /nfs/dbraw/zinc/20/97/40/488209740.db2.gz POZUWIBPFVOMSB-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)[C@@H](C)CO1 ZINC000678153667 488209744 /nfs/dbraw/zinc/20/97/44/488209744.db2.gz POZUWIBPFVOMSB-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]([NH2+]Cc1cncs1)c1csnn1 ZINC000398226670 488215314 /nfs/dbraw/zinc/21/53/14/488215314.db2.gz GWTJXVMEFRLXFV-ZCFIWIBFSA-N 1 2 226.330 1.845 20 0 BDADLO c1cc(C[N@@H+]2CCOc3ccccc3C2)n[nH]1 ZINC000678195639 488215654 /nfs/dbraw/zinc/21/56/54/488215654.db2.gz CEQYULAFKDUUQK-UHFFFAOYSA-N 1 2 229.283 1.804 20 0 BDADLO c1cc(C[N@H+]2CCOc3ccccc3C2)n[nH]1 ZINC000678195639 488215656 /nfs/dbraw/zinc/21/56/56/488215656.db2.gz CEQYULAFKDUUQK-UHFFFAOYSA-N 1 2 229.283 1.804 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCOc2ccccc2C1 ZINC000678196089 488217083 /nfs/dbraw/zinc/21/70/83/488217083.db2.gz NOBCMIVAJCGENJ-UHFFFAOYSA-N 1 2 229.283 1.804 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCOc2ccccc2C1 ZINC000678196089 488217086 /nfs/dbraw/zinc/21/70/86/488217086.db2.gz NOBCMIVAJCGENJ-UHFFFAOYSA-N 1 2 229.283 1.804 20 0 BDADLO O=C(CCCF)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668192023 488218162 /nfs/dbraw/zinc/21/81/62/488218162.db2.gz RURFVOXXZNNFEM-LLVKDONJSA-N 1 2 239.294 1.796 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N)nc2)[C@@H](C)CO1 ZINC000224956448 488218644 /nfs/dbraw/zinc/21/86/44/488218644.db2.gz NSJHSLSYOFAPKA-UWVGGRQHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N)nc2)[C@@H](C)CO1 ZINC000224956448 488218646 /nfs/dbraw/zinc/21/86/46/488218646.db2.gz NSJHSLSYOFAPKA-UWVGGRQHSA-N 1 2 221.304 1.273 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)o1 ZINC000231651344 488219054 /nfs/dbraw/zinc/21/90/54/488219054.db2.gz LTGXXDHHZBLDSB-VIFPVBQESA-N 1 2 239.319 1.376 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2Cc2cn[nH]c2)[nH]1 ZINC000678222426 488220926 /nfs/dbraw/zinc/22/09/26/488220926.db2.gz QTPMWAYQGLPDSI-NSHDSACASA-N 1 2 231.303 1.860 20 0 BDADLO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000678222426 488220930 /nfs/dbraw/zinc/22/09/30/488220930.db2.gz QTPMWAYQGLPDSI-NSHDSACASA-N 1 2 231.303 1.860 20 0 BDADLO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000678222426 488220933 /nfs/dbraw/zinc/22/09/33/488220933.db2.gz QTPMWAYQGLPDSI-NSHDSACASA-N 1 2 231.303 1.860 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153138 488241877 /nfs/dbraw/zinc/24/18/77/488241877.db2.gz RXCMXZIMBJGHGT-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO CC(C)C[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149077 488242105 /nfs/dbraw/zinc/24/21/05/488242105.db2.gz FGZVIOQMEDRBML-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155900 488242548 /nfs/dbraw/zinc/24/25/48/488242548.db2.gz DAUMVGQUTNPEDR-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)co1 ZINC000672158428 488243251 /nfs/dbraw/zinc/24/32/51/488243251.db2.gz YXMBQZBNNLULGP-NSHDSACASA-N 1 2 245.282 1.529 20 0 BDADLO Cc1nnc(NCC[NH+]2Cc3ccccc3C2)o1 ZINC000672194903 488244223 /nfs/dbraw/zinc/24/42/23/488244223.db2.gz BFTGEQDEKXPMFP-UHFFFAOYSA-N 1 2 244.298 1.806 20 0 BDADLO CCCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000683917139 488244402 /nfs/dbraw/zinc/24/44/02/488244402.db2.gz OOXIXBVJMHUCAK-UHFFFAOYSA-N 1 2 223.320 1.946 20 0 BDADLO Cc1cc(=O)[nH]c(C=Cc2cn(C)c[nH+]2)n1 ZINC000672776489 488266289 /nfs/dbraw/zinc/26/62/89/488266289.db2.gz QPNOEKQDLWGMIU-ONEGZZNKSA-N 1 2 216.244 1.395 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000679319203 488334596 /nfs/dbraw/zinc/33/45/96/488334596.db2.gz UNVNLLCCYQLHJE-UHFFFAOYSA-N 1 2 243.310 1.460 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000679319203 488334599 /nfs/dbraw/zinc/33/45/99/488334599.db2.gz UNVNLLCCYQLHJE-UHFFFAOYSA-N 1 2 243.310 1.460 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000679319203 488334602 /nfs/dbraw/zinc/33/46/02/488334602.db2.gz UNVNLLCCYQLHJE-UHFFFAOYSA-N 1 2 243.310 1.460 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000679319203 488334604 /nfs/dbraw/zinc/33/46/04/488334604.db2.gz UNVNLLCCYQLHJE-UHFFFAOYSA-N 1 2 243.310 1.460 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1F ZINC000673057426 488272543 /nfs/dbraw/zinc/27/25/43/488272543.db2.gz YWHQQZUGKRKOLH-NXEZZACHSA-N 1 2 239.294 1.549 20 0 BDADLO Cc1nnc(C[N@@H+](C)C(C)(C)CO)s1 ZINC000678624474 488273520 /nfs/dbraw/zinc/27/35/20/488273520.db2.gz CWXWXWCXDFPCMH-UHFFFAOYSA-N 1 2 215.322 1.049 20 0 BDADLO CC(C)N1C[C@H](Nc2cc[nH+]cc2F)CC1=O ZINC000678787432 488282614 /nfs/dbraw/zinc/28/26/14/488282614.db2.gz OITXXGLYZQEQTL-SECBINFHSA-N 1 2 237.278 1.064 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cncc(F)c1 ZINC000673606293 488296803 /nfs/dbraw/zinc/29/68/03/488296803.db2.gz LOWKRYPUXMRRIS-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC=CCC1 ZINC000679323149 488336502 /nfs/dbraw/zinc/33/65/02/488336502.db2.gz KIVFEURLFTUMNY-LBPRGKRZSA-N 1 2 234.274 1.614 20 0 BDADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC=CCC1 ZINC000679323149 488336503 /nfs/dbraw/zinc/33/65/03/488336503.db2.gz KIVFEURLFTUMNY-LBPRGKRZSA-N 1 2 234.274 1.614 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)Cc1cnn(C)c1 ZINC000679085994 488307239 /nfs/dbraw/zinc/30/72/39/488307239.db2.gz DHGJJUMODUYTQL-SNVBAGLBSA-N 1 2 246.314 1.867 20 0 BDADLO CCC(O)(CC)C[N@H+](C)Cc1nnc(C)[nH]1 ZINC000679134985 488311888 /nfs/dbraw/zinc/31/18/88/488311888.db2.gz JPQXYXRBZSKCDS-UHFFFAOYSA-N 1 2 226.324 1.096 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000679134985 488311894 /nfs/dbraw/zinc/31/18/94/488311894.db2.gz JPQXYXRBZSKCDS-UHFFFAOYSA-N 1 2 226.324 1.096 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1F ZINC000679225507 488316974 /nfs/dbraw/zinc/31/69/74/488316974.db2.gz QVOMTIPIPCHMGY-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1F ZINC000679225507 488316975 /nfs/dbraw/zinc/31/69/75/488316975.db2.gz QVOMTIPIPCHMGY-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CCN(Cc2c[nH+]cn2C)C[C@@H]1F ZINC000679225507 488316977 /nfs/dbraw/zinc/31/69/77/488316977.db2.gz QVOMTIPIPCHMGY-KOLCDFICSA-N 1 2 211.284 1.600 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679222702 488320552 /nfs/dbraw/zinc/32/05/52/488320552.db2.gz JSYCXVAJTWQWON-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679222702 488320553 /nfs/dbraw/zinc/32/05/53/488320553.db2.gz JSYCXVAJTWQWON-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO CC[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000684495609 488321996 /nfs/dbraw/zinc/32/19/96/488321996.db2.gz RZZDJQWOTBMXDJ-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO CC[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000684495609 488321997 /nfs/dbraw/zinc/32/19/97/488321997.db2.gz RZZDJQWOTBMXDJ-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225177 488322054 /nfs/dbraw/zinc/32/20/54/488322054.db2.gz QBHCRHLXJZHGFV-GMTAPVOTSA-N 1 2 244.354 1.970 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225177 488322055 /nfs/dbraw/zinc/32/20/55/488322055.db2.gz QBHCRHLXJZHGFV-GMTAPVOTSA-N 1 2 244.354 1.970 20 0 BDADLO Cc1c(C[N@H+](C)Cc2ccnc(C)n2)cnn1C ZINC000684620201 488334277 /nfs/dbraw/zinc/33/42/77/488334277.db2.gz AWZXXDHCPPACQW-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2ccnc(C)n2)cnn1C ZINC000684620201 488334278 /nfs/dbraw/zinc/33/42/78/488334278.db2.gz AWZXXDHCPPACQW-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000679335589 488341424 /nfs/dbraw/zinc/34/14/24/488341424.db2.gz FJNDAGZRAMAHBH-DTWKUNHWSA-N 1 2 234.307 1.049 20 0 BDADLO Cc1ccnc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000684886897 488350586 /nfs/dbraw/zinc/35/05/86/488350586.db2.gz TZEGEMUTOBSYOS-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)c1ccncc1 ZINC000679834152 488367415 /nfs/dbraw/zinc/36/74/15/488367415.db2.gz UAZPIOZMSSGSGA-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)c1ccncc1 ZINC000679834152 488367416 /nfs/dbraw/zinc/36/74/16/488367416.db2.gz UAZPIOZMSSGSGA-LLVKDONJSA-N 1 2 245.330 1.793 20 0 BDADLO CCc1cc(N(C)Cc2ncc[nH]2)nc(C)[nH+]1 ZINC000679838423 488367975 /nfs/dbraw/zinc/36/79/75/488367975.db2.gz MEKLMGRSMGXANF-UHFFFAOYSA-N 1 2 231.303 1.707 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(F)cc1O ZINC000493184733 490121453 /nfs/dbraw/zinc/12/14/53/490121453.db2.gz FFRGBQKFVYETIN-RQOWECAXSA-N 1 2 247.229 1.906 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc2ccccn21 ZINC000079442173 490442199 /nfs/dbraw/zinc/44/21/99/490442199.db2.gz NYLJUIDJTKSWHJ-UHFFFAOYSA-N 1 2 234.303 1.198 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000079442173 490442207 /nfs/dbraw/zinc/44/22/07/490442207.db2.gz NYLJUIDJTKSWHJ-UHFFFAOYSA-N 1 2 234.303 1.198 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725035 490458718 /nfs/dbraw/zinc/45/87/18/490458718.db2.gz XQRPDMMZMRRTAU-NXEZZACHSA-N 1 2 233.315 1.766 20 0 BDADLO CCC(CC)(CC)NC(=O)Cn1cc[nH+]c1 ZINC000073985814 490472381 /nfs/dbraw/zinc/47/23/81/490472381.db2.gz BCBXTKJNWGOORF-UHFFFAOYSA-N 1 2 223.320 1.968 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000074034096 490474538 /nfs/dbraw/zinc/47/45/38/490474538.db2.gz PWCBRMDUACYIDY-RYUDHWBXSA-N 1 2 233.315 1.674 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccncc1 ZINC000074726880 490501238 /nfs/dbraw/zinc/50/12/38/490501238.db2.gz YAPFFQNAGKGFOI-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccncc1 ZINC000074726880 490501243 /nfs/dbraw/zinc/50/12/43/490501243.db2.gz YAPFFQNAGKGFOI-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccc(N(C)C)nc2)[C@H]1C ZINC000126550504 490504135 /nfs/dbraw/zinc/50/41/35/490504135.db2.gz GNRZSFGKVYROPP-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccc(N(C)C)nc2)[C@H]1C ZINC000126550504 490504142 /nfs/dbraw/zinc/50/41/42/490504142.db2.gz GNRZSFGKVYROPP-RYUDHWBXSA-N 1 2 249.358 1.757 20 0 BDADLO CC(C)n1ncnc1C[N@H+](CCO)C1CCC1 ZINC000228521042 490541952 /nfs/dbraw/zinc/54/19/52/490541952.db2.gz JIERTRVZMLRZNH-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](CCO)C1CCC1 ZINC000228521042 490541957 /nfs/dbraw/zinc/54/19/57/490541957.db2.gz JIERTRVZMLRZNH-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO COc1ccc(N[C@H]2CCOC[C@@H]2C)[nH+]c1 ZINC000300862397 490572231 /nfs/dbraw/zinc/57/22/31/490572231.db2.gz NWTWSINNNURCOL-ONGXEEELSA-N 1 2 222.288 1.927 20 0 BDADLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128371098 490578037 /nfs/dbraw/zinc/57/80/37/490578037.db2.gz SOZLLAVUVYGSKB-WCBMZHEXSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128371098 490578043 /nfs/dbraw/zinc/57/80/43/490578043.db2.gz SOZLLAVUVYGSKB-WCBMZHEXSA-N 1 2 227.333 1.273 20 0 BDADLO Cc1cc(NCC2(CO)CC2)nc(C2CC2)[nH+]1 ZINC000080687336 490649244 /nfs/dbraw/zinc/64/92/44/490649244.db2.gz SLGFLZALLOXCBR-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO Cn1ccc(NCc2cn3ccccc3[nH+]2)n1 ZINC000088627186 491075907 /nfs/dbraw/zinc/07/59/07/491075907.db2.gz WBSFKLGXPQVKFX-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO CCOc1ccc(C[N@H+](C)Cc2cn[nH]c2)nc1 ZINC000088537448 491104744 /nfs/dbraw/zinc/10/47/44/491104744.db2.gz IQFIUBJMGIMJKV-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CCOc1ccc(C[N@@H+](C)Cc2cn[nH]c2)nc1 ZINC000088537448 491104745 /nfs/dbraw/zinc/10/47/45/491104745.db2.gz IQFIUBJMGIMJKV-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO O=C1C[C@@H]([C@@H]2CCC[N@@H+](CC(F)F)C2)CN1 ZINC000671448510 491105665 /nfs/dbraw/zinc/10/56/65/491105665.db2.gz ADMIVSLDLHRVBF-RKDXNWHRSA-N 1 2 232.274 1.100 20 0 BDADLO O=C1C[C@@H]([C@@H]2CCC[N@H+](CC(F)F)C2)CN1 ZINC000671448510 491105666 /nfs/dbraw/zinc/10/56/66/491105666.db2.gz ADMIVSLDLHRVBF-RKDXNWHRSA-N 1 2 232.274 1.100 20 0 BDADLO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000395144447 491125403 /nfs/dbraw/zinc/12/54/03/491125403.db2.gz WEQLVUCMQFQBCY-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1csnn1 ZINC000395144447 491125404 /nfs/dbraw/zinc/12/54/04/491125404.db2.gz WEQLVUCMQFQBCY-PSASIEDQSA-N 1 2 227.333 1.131 20 0 BDADLO COc1cc(C)nc(NCc2ccc(N)[nH+]c2)n1 ZINC000308378312 491136109 /nfs/dbraw/zinc/13/61/09/491136109.db2.gz PPNLAECXDSJCQV-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO C[C@@](O)(CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000309788734 491156506 /nfs/dbraw/zinc/15/65/06/491156506.db2.gz TYXSKVCSGFHEPN-SNVBAGLBSA-N 1 2 242.710 1.285 20 0 BDADLO C[C@@](O)(CNc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000309788734 491156507 /nfs/dbraw/zinc/15/65/07/491156507.db2.gz TYXSKVCSGFHEPN-SNVBAGLBSA-N 1 2 242.710 1.285 20 0 BDADLO CSCC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000890872905 582583033 /nfs/dbraw/zinc/58/30/33/582583033.db2.gz PCNXLLYIGMYPRJ-UHFFFAOYSA-N 1 2 227.333 1.141 20 0 BDADLO Cc1ccc(CCNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000493545665 533790214 /nfs/dbraw/zinc/79/02/14/533790214.db2.gz DBMHRJFHCVZJDN-HWKANZROSA-N 1 2 245.282 1.683 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([NH+]2CC(F)C2)CC1 ZINC001172781582 974940251 /nfs/dbraw/zinc/94/02/51/974940251.db2.gz JKDOLGWGPJRPPG-KOLCDFICSA-N 1 2 229.295 1.762 20 0 BDADLO O=C(NC/C=C/Cl)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000891199304 582625555 /nfs/dbraw/zinc/62/55/55/582625555.db2.gz PBRSXHJOXCOMBF-WTJMVXMFSA-N 1 2 239.706 1.383 20 0 BDADLO O=C(NC/C=C/Cl)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000891199304 582625557 /nfs/dbraw/zinc/62/55/57/582625557.db2.gz PBRSXHJOXCOMBF-WTJMVXMFSA-N 1 2 239.706 1.383 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000891202794 582628173 /nfs/dbraw/zinc/62/81/73/582628173.db2.gz VHFCBRMPEJMMIF-FAIQTLDISA-N 1 2 239.706 1.314 20 0 BDADLO COc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000492771526 534025596 /nfs/dbraw/zinc/02/55/96/534025596.db2.gz SFPZLACNLGVGBG-DUXPYHPUSA-N 1 2 244.254 1.465 20 0 BDADLO C[C@H](O)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000494892165 534088894 /nfs/dbraw/zinc/08/88/94/534088894.db2.gz RRVIVPOOWPRTJX-GXSJLCMTSA-N 1 2 238.335 1.397 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1noc(C)n1 ZINC000351480909 535769793 /nfs/dbraw/zinc/76/97/93/535769793.db2.gz WGWGUSSWRZGYOO-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1noc(C)n1 ZINC000351480909 535769797 /nfs/dbraw/zinc/76/97/97/535769797.db2.gz WGWGUSSWRZGYOO-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@@H]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000492892945 534149099 /nfs/dbraw/zinc/14/90/99/534149099.db2.gz FRUNGNXWMBYYIT-HWKXXFMVSA-N 1 2 249.314 1.495 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492900259 534262301 /nfs/dbraw/zinc/26/23/01/534262301.db2.gz UTOCNCIMYIZFGI-SRIDUCRUSA-N 1 2 205.261 1.338 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)[C@@H](C)O1 ZINC000492809531 534277461 /nfs/dbraw/zinc/27/74/61/534277461.db2.gz GDQOYKLHEGDFGR-LOTCAWRZSA-N 1 2 249.314 1.447 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC)cn1 ZINC000347781655 536177596 /nfs/dbraw/zinc/17/75/96/536177596.db2.gz MCHSISNYWBERPU-CYBMUJFWSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC)cn1 ZINC000347781655 536177599 /nfs/dbraw/zinc/17/75/99/536177599.db2.gz MCHSISNYWBERPU-CYBMUJFWSA-N 1 2 247.342 1.354 20 0 BDADLO C[N@H+](Cc1ncccc1Cl)C1(CO)CC1 ZINC000528508609 517938794 /nfs/dbraw/zinc/93/87/94/517938794.db2.gz XCFORMKEFMSYBM-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO C[N@@H+](Cc1ncccc1Cl)C1(CO)CC1 ZINC000528508609 517938806 /nfs/dbraw/zinc/93/88/06/517938806.db2.gz XCFORMKEFMSYBM-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO O=C(CCC1CCC1)NCc1[nH]cc[nH+]1 ZINC000487685524 534327288 /nfs/dbraw/zinc/32/72/88/534327288.db2.gz IIWZWKGIBUBUFV-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488406742 534435242 /nfs/dbraw/zinc/43/52/42/534435242.db2.gz BGVSDFRHBHVPKJ-RKDXNWHRSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)C[C@H]2C)[nH+]1 ZINC000488406742 534435249 /nfs/dbraw/zinc/43/52/49/534435249.db2.gz BGVSDFRHBHVPKJ-RKDXNWHRSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1ccsc1C[NH+]1CC2(C1)CNC(=O)O2 ZINC000496137829 534468967 /nfs/dbraw/zinc/46/89/67/534468967.db2.gz OGOGCFOVGPYGBY-UHFFFAOYSA-N 1 2 238.312 1.351 20 0 BDADLO Cc1cnc(CNC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492858207 534553465 /nfs/dbraw/zinc/55/34/65/534553465.db2.gz FKNNBLVPEBFUBG-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO Cc1cnc(CNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000492869560 534553705 /nfs/dbraw/zinc/55/37/05/534553705.db2.gz UQDOWWGTAUXEMI-IHWYPQMZSA-N 1 2 232.243 1.036 20 0 BDADLO Cc1occc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496850335 534571927 /nfs/dbraw/zinc/57/19/27/534571927.db2.gz XCITXFLVTSYSGP-NSHDSACASA-N 1 2 236.271 1.224 20 0 BDADLO Cc1occc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496850335 534571933 /nfs/dbraw/zinc/57/19/33/534571933.db2.gz XCITXFLVTSYSGP-NSHDSACASA-N 1 2 236.271 1.224 20 0 BDADLO CC(=O)N[C@H](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000302477919 534615947 /nfs/dbraw/zinc/61/59/47/534615947.db2.gz XNWKFNGMOSPSJA-LLVKDONJSA-N 1 2 247.342 1.823 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\c1cncs1 ZINC000493327534 534787109 /nfs/dbraw/zinc/78/71/09/534787109.db2.gz VYSKQBMQTDEDGN-IHWYPQMZSA-N 1 2 248.311 1.206 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N(CC(F)F)C1CC1 ZINC000493326860 534800626 /nfs/dbraw/zinc/80/06/26/534800626.db2.gz TWOVUROKTRPMRD-RJRFIUFISA-N 1 2 241.241 1.679 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000493240201 534802863 /nfs/dbraw/zinc/80/28/63/534802863.db2.gz ODGUXPIJAGKACU-BYIQDMNASA-N 1 2 237.278 1.820 20 0 BDADLO O=C1O[C@H](Cn2cc[nH+]c2)CN1c1ccccc1 ZINC000172742084 534822719 /nfs/dbraw/zinc/82/27/19/534822719.db2.gz CTUGLNTYROKGQO-GFCCVEGCSA-N 1 2 243.266 1.909 20 0 BDADLO CC[S@@](=O)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000892453858 582890248 /nfs/dbraw/zinc/89/02/48/582890248.db2.gz ZCGVNKNTOUVZAU-JDNHERCYSA-N 1 2 242.344 1.315 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892502515 582899454 /nfs/dbraw/zinc/89/94/54/582899454.db2.gz SCGLKLOQQWFJHW-HOSYDEDBSA-N 1 2 238.331 1.954 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](C)[C@H](O)C2)cc[nH+]1 ZINC000301966279 534909913 /nfs/dbraw/zinc/90/99/13/534909913.db2.gz YCERHCMVKUVLIF-GHMZBOCLSA-N 1 2 235.331 1.807 20 0 BDADLO CC(=O)CN(CC(C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493614635 526431572 /nfs/dbraw/zinc/43/15/72/526431572.db2.gz DSKBWPMBWXIIAE-SNAWJCMRSA-N 1 2 249.314 1.497 20 0 BDADLO CC(C)(O)CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492896997 527331155 /nfs/dbraw/zinc/33/11/55/527331155.db2.gz JUDBELHTHQJXOA-UTCJRWHESA-N 1 2 249.314 1.185 20 0 BDADLO C/C=C(/C=C/C(=O)NCc1c[nH+]cn1C)CC ZINC000493845476 527553301 /nfs/dbraw/zinc/55/33/01/527553301.db2.gz AZPIQBFGYJABNF-HNGDNPSASA-N 1 2 233.315 1.949 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000493523315 527556180 /nfs/dbraw/zinc/55/61/80/527556180.db2.gz KRWVQJSHDGAFSQ-JYESYGNLSA-N 1 2 247.342 1.986 20 0 BDADLO CC(C)(C)C=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000493523315 527556185 /nfs/dbraw/zinc/55/61/85/527556185.db2.gz KRWVQJSHDGAFSQ-JYESYGNLSA-N 1 2 247.342 1.986 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493523314 527557190 /nfs/dbraw/zinc/55/71/90/527557190.db2.gz KRWVQJSHDGAFSQ-GFVADAIESA-N 1 2 247.342 1.986 20 0 BDADLO CC(C)(C)C=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000493523314 527557195 /nfs/dbraw/zinc/55/71/95/527557195.db2.gz KRWVQJSHDGAFSQ-GFVADAIESA-N 1 2 247.342 1.986 20 0 BDADLO C/C=C/C=C/C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000493797317 527578997 /nfs/dbraw/zinc/57/89/97/527578997.db2.gz XNGSQYIPVPCCMV-IUNRWVRJSA-N 1 2 210.302 1.726 20 0 BDADLO C/C=C/C=C\C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000493797318 527600702 /nfs/dbraw/zinc/60/07/02/527600702.db2.gz XNGSQYIPVPCCMV-MSZWJBESSA-N 1 2 210.302 1.726 20 0 BDADLO CCC1(NC(=O)/C=C\c2[nH]cc[nH+]2)CCC1 ZINC000493268690 527772019 /nfs/dbraw/zinc/77/20/19/527772019.db2.gz JBZIBHRECZHLNP-PLNGDYQASA-N 1 2 219.288 1.872 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493773448 527793504 /nfs/dbraw/zinc/79/35/04/527793504.db2.gz ASEPKSOILHUDAK-UFFNRZRYSA-N 1 2 233.315 1.927 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493720181 527796949 /nfs/dbraw/zinc/79/69/49/527796949.db2.gz QBTUNOSNOUIVPE-XOULXFPDSA-N 1 2 235.287 1.107 20 0 BDADLO CCC[N@H+](C/C=C\c1ccncc1)CC(=O)OC ZINC000494427997 527869475 /nfs/dbraw/zinc/86/94/75/527869475.db2.gz HFGQLIFZPRCMRL-PLNGDYQASA-N 1 2 248.326 1.980 20 0 BDADLO CCC[N@@H+](C/C=C\c1ccncc1)CC(=O)OC ZINC000494427997 527869477 /nfs/dbraw/zinc/86/94/77/527869477.db2.gz HFGQLIFZPRCMRL-PLNGDYQASA-N 1 2 248.326 1.980 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492807726 527886233 /nfs/dbraw/zinc/88/62/33/527886233.db2.gz BKUYUIWNXCPIOG-RXNFCKPNSA-N 1 2 237.303 1.090 20 0 BDADLO CC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493342418 527933744 /nfs/dbraw/zinc/93/37/44/527933744.db2.gz YBNDDXCZWMKEJF-ONEGZZNKSA-N 1 2 219.288 1.729 20 0 BDADLO CC(C)CONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815135 528116246 /nfs/dbraw/zinc/11/62/46/528116246.db2.gz WJYRMODIPURSLR-ARJAWSKDSA-N 1 2 209.249 1.127 20 0 BDADLO CCCCCOCC(=O)NCCc1[nH]cc[nH+]1 ZINC000174749405 528227230 /nfs/dbraw/zinc/22/72/30/528227230.db2.gz TWQGSYXBOKYQBN-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@]2(C)CCO[C@H]2C)no1 ZINC000494222840 528283410 /nfs/dbraw/zinc/28/34/10/528283410.db2.gz IULZSSXQUMKGAF-CABZTGNLSA-N 1 2 239.319 1.850 20 0 BDADLO CCO/C=C/C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000492929951 528461565 /nfs/dbraw/zinc/46/15/65/528461565.db2.gz VBDXBNYZTLPVBI-BIPYJSMBSA-N 1 2 249.314 1.424 20 0 BDADLO CCO/C=C/C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000493698755 528494753 /nfs/dbraw/zinc/49/47/53/528494753.db2.gz UWDZFHITFSTKMH-OLKPEBQYSA-N 1 2 237.303 1.630 20 0 BDADLO CCOC=CC(=O)Nc1cc[nH+]cc1CC ZINC000493748521 528518944 /nfs/dbraw/zinc/51/89/44/528518944.db2.gz DKFGRVYDDIREGV-VURMDHGXSA-N 1 2 220.272 1.555 20 0 BDADLO CCOC=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000493385250 528519287 /nfs/dbraw/zinc/51/92/87/528519287.db2.gz LBUXZLVLJUNXNZ-WAYWQWQTSA-N 1 2 220.272 1.609 20 0 BDADLO CCOC1CN(C(=O)/C=C\c2[nH+]ccn2CC)C1 ZINC000493349869 528535356 /nfs/dbraw/zinc/53/53/56/528535356.db2.gz IIYYRTZVRTZBAY-WAYWQWQTSA-N 1 2 249.314 1.164 20 0 BDADLO CCO/C=C\C(=O)Nc1c[nH+]ccc1OC ZINC000493226000 528541073 /nfs/dbraw/zinc/54/10/73/528541073.db2.gz RDZURTOUVQQAQB-ALCCZGGFSA-N 1 2 222.244 1.579 20 0 BDADLO CCOCC(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493132515 528568880 /nfs/dbraw/zinc/56/88/80/528568880.db2.gz QUGGADCRZWHOMJ-AATRIKPKSA-N 1 2 237.303 1.354 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493124661 528699211 /nfs/dbraw/zinc/69/92/11/528699211.db2.gz WVGNSWUCBODXLW-FSIBCCDJSA-N 1 2 219.288 1.680 20 0 BDADLO CC/C=C\CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493208446 528792259 /nfs/dbraw/zinc/79/22/59/528792259.db2.gz PWSRSUZRGXRIEB-IGTJQSIKSA-N 1 2 233.315 1.999 20 0 BDADLO CCC[C@@H](C)N(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488385539 528888404 /nfs/dbraw/zinc/88/84/04/528888404.db2.gz LHCFZIMDAXAUQL-SECBINFHSA-N 1 2 237.351 1.871 20 0 BDADLO CCC[C@@H](C)N(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488385539 528888409 /nfs/dbraw/zinc/88/84/09/528888409.db2.gz LHCFZIMDAXAUQL-SECBINFHSA-N 1 2 237.351 1.871 20 0 BDADLO CCN(c1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000488391828 528939587 /nfs/dbraw/zinc/93/95/87/528939587.db2.gz PMQAZJAYOCVQEK-UHFFFAOYSA-N 1 2 223.324 1.481 20 0 BDADLO CCN(c1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC000488391828 528939588 /nfs/dbraw/zinc/93/95/88/528939588.db2.gz PMQAZJAYOCVQEK-UHFFFAOYSA-N 1 2 223.324 1.481 20 0 BDADLO CC1(C)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862737 528940686 /nfs/dbraw/zinc/94/06/86/528940686.db2.gz RPBQDUXDKNJJGQ-PLNGDYQASA-N 1 2 219.288 1.824 20 0 BDADLO CC1(C)CCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000487928631 528945174 /nfs/dbraw/zinc/94/51/74/528945174.db2.gz JBPFWUASXWYJIO-UHFFFAOYSA-N 1 2 244.289 1.918 20 0 BDADLO CC1(C)CCC[N@H+]1Cc1ncnn1CC(F)F ZINC000487928631 528945177 /nfs/dbraw/zinc/94/51/77/528945177.db2.gz JBPFWUASXWYJIO-UHFFFAOYSA-N 1 2 244.289 1.918 20 0 BDADLO CC1(C)CN(C[N@@H+]2CCC[C@](C)(F)C2)C(=O)O1 ZINC000495937255 529121514 /nfs/dbraw/zinc/12/15/14/529121514.db2.gz VAUDSKPJPOPMGU-LBPRGKRZSA-N 1 2 244.310 1.999 20 0 BDADLO CC1(C)CN(C[N@H+]2CCC[C@](C)(F)C2)C(=O)O1 ZINC000495937255 529121517 /nfs/dbraw/zinc/12/15/17/529121517.db2.gz VAUDSKPJPOPMGU-LBPRGKRZSA-N 1 2 244.310 1.999 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488186464 529156611 /nfs/dbraw/zinc/15/66/11/529156611.db2.gz SXIKITXLKPIKPJ-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488186464 529156614 /nfs/dbraw/zinc/15/66/14/529156614.db2.gz SXIKITXLKPIKPJ-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1CCN1C(=O)/C=C/c1[nH+]ccn1CC ZINC000492853616 529240079 /nfs/dbraw/zinc/24/00/79/529240079.db2.gz ONYXRMOWVONDTI-QRGHLMKCSA-N 1 2 233.315 1.927 20 0 BDADLO CC[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493071969 529299571 /nfs/dbraw/zinc/29/95/71/529299571.db2.gz PQVWXYOUHMQUAO-BRAIEQGRSA-N 1 2 219.288 1.824 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC000335937778 534942787 /nfs/dbraw/zinc/94/27/87/534942787.db2.gz OXYBLZJPNHKYNG-MEDUHNTESA-N 1 2 245.388 1.398 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H]1CCCCO1 ZINC000335937778 534942790 /nfs/dbraw/zinc/94/27/90/534942790.db2.gz OXYBLZJPNHKYNG-MEDUHNTESA-N 1 2 245.388 1.398 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C[C@@H]21 ZINC000263239884 535039355 /nfs/dbraw/zinc/03/93/55/535039355.db2.gz OMEJBIODZYFEPT-HRDYMLBCSA-N 1 2 244.285 1.098 20 0 BDADLO CCCCc1nc(C[NH2+][C@H](CO)C(C)C)no1 ZINC000180619248 535103630 /nfs/dbraw/zinc/10/36/30/535103630.db2.gz BOSIDGBDVBABGF-SNVBAGLBSA-N 1 2 241.335 1.519 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263309653 535195926 /nfs/dbraw/zinc/19/59/26/535195926.db2.gz YJUWZGGWEZQILC-UWVGGRQHSA-N 1 2 246.301 1.488 20 0 BDADLO CC1=C(C(=O)N2CCn3cc[nH+]c3C2)CCC1 ZINC000335825675 535220361 /nfs/dbraw/zinc/22/03/61/535220361.db2.gz GIWBRTJWWIVFLA-UHFFFAOYSA-N 1 2 231.299 1.726 20 0 BDADLO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353165879 535268893 /nfs/dbraw/zinc/26/88/93/535268893.db2.gz JKDXGGONNMUCKQ-VIFPVBQESA-N 1 2 234.290 1.631 20 0 BDADLO CC(C)NC(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353165879 535268897 /nfs/dbraw/zinc/26/88/97/535268897.db2.gz JKDXGGONNMUCKQ-VIFPVBQESA-N 1 2 234.290 1.631 20 0 BDADLO CCC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155271148 535333963 /nfs/dbraw/zinc/33/39/63/535333963.db2.gz VNBIYJFZGCRTBS-UHFFFAOYSA-N 1 2 249.314 1.575 20 0 BDADLO CC[C@@H](C)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000079794579 535543212 /nfs/dbraw/zinc/54/32/12/535543212.db2.gz OUEHNHTUCVIRMM-LLVKDONJSA-N 1 2 238.335 1.713 20 0 BDADLO CCO[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000078879530 535556749 /nfs/dbraw/zinc/55/67/49/535556749.db2.gz KAVQBYFFCXRJJH-SECBINFHSA-N 1 2 237.303 1.511 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000250663054 535620115 /nfs/dbraw/zinc/62/01/15/535620115.db2.gz GNDZEVBPDPVXCX-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000250663054 535620120 /nfs/dbraw/zinc/62/01/20/535620120.db2.gz GNDZEVBPDPVXCX-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000091008174 535669095 /nfs/dbraw/zinc/66/90/95/535669095.db2.gz VOXOKBSSAZPAFN-ZYHUDNBSSA-N 1 2 238.331 1.702 20 0 BDADLO CC[N@H+](CCC(=O)OC(C)(C)C)CC(=O)OC ZINC000343124247 535707656 /nfs/dbraw/zinc/70/76/56/535707656.db2.gz ZKPJEFPXLILNSQ-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CC[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)OC ZINC000343124247 535707661 /nfs/dbraw/zinc/70/76/61/535707661.db2.gz ZKPJEFPXLILNSQ-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnc(N)s2)CCO1 ZINC000261593360 535741843 /nfs/dbraw/zinc/74/18/43/535741843.db2.gz WRYMWFHZSLXDRP-VIFPVBQESA-N 1 2 241.360 1.726 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnc(N)s2)CCO1 ZINC000261593360 535741847 /nfs/dbraw/zinc/74/18/47/535741847.db2.gz WRYMWFHZSLXDRP-VIFPVBQESA-N 1 2 241.360 1.726 20 0 BDADLO CC[C@@H](NC(=O)c1ncoc1C)c1[nH]cc[nH+]1 ZINC000347939889 535802516 /nfs/dbraw/zinc/80/25/16/535802516.db2.gz BDJRHVOJFQRXGS-MRVPVSSYSA-N 1 2 234.259 1.587 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1Cc1[nH+]cc(C)n1C ZINC000342796848 535853839 /nfs/dbraw/zinc/85/38/39/535853839.db2.gz BOMSVTOMZIVOEF-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000335306900 535937329 /nfs/dbraw/zinc/93/73/29/535937329.db2.gz UTYLVXMALLXLIQ-WCQYABFASA-N 1 2 233.315 1.662 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000335652588 535943065 /nfs/dbraw/zinc/94/30/65/535943065.db2.gz NQUSLRVOTFMLLT-SCZZXKLOSA-N 1 2 223.276 1.015 20 0 BDADLO CC[C@H](C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000336120212 536109261 /nfs/dbraw/zinc/10/92/61/536109261.db2.gz LCUNGMBUVKPYPY-AAEUAGOBSA-N 1 2 247.342 1.601 20 0 BDADLO CCc1cc(N2CCOC[C@H]2CC)nc(C)[nH+]1 ZINC000302038088 536147636 /nfs/dbraw/zinc/14/76/36/536147636.db2.gz GLWSEWZHGOSMMR-GFCCVEGCSA-N 1 2 235.331 1.963 20 0 BDADLO CSC[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000892605365 582927621 /nfs/dbraw/zinc/92/76/21/582927621.db2.gz QKXNQBIKODHANT-QMMMGPOBSA-N 1 2 226.349 1.706 20 0 BDADLO CSC[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000892605365 582927623 /nfs/dbraw/zinc/92/76/23/582927623.db2.gz QKXNQBIKODHANT-QMMMGPOBSA-N 1 2 226.349 1.706 20 0 BDADLO CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171690310 536314297 /nfs/dbraw/zinc/31/42/97/536314297.db2.gz WNHNCXADAJEWQF-QMMMGPOBSA-N 1 2 208.265 1.276 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000260128077 536462987 /nfs/dbraw/zinc/46/29/87/536462987.db2.gz RCFYOSPFKIZDQZ-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccncc1 ZINC000260128077 536462988 /nfs/dbraw/zinc/46/29/88/536462988.db2.gz RCFYOSPFKIZDQZ-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351969086 536628581 /nfs/dbraw/zinc/62/85/81/536628581.db2.gz URABVVACHVYPFA-DCAQKATOSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351969086 536628585 /nfs/dbraw/zinc/62/85/85/536628585.db2.gz URABVVACHVYPFA-DCAQKATOSA-N 1 2 241.331 1.437 20 0 BDADLO COCCN(C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000348844695 536704490 /nfs/dbraw/zinc/70/44/90/536704490.db2.gz PUQWPKPAXRRBHG-UHFFFAOYSA-N 1 2 249.314 1.455 20 0 BDADLO COC(=O)[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)[C@@H](C)O ZINC000248969044 536732804 /nfs/dbraw/zinc/73/28/04/536732804.db2.gz CEMUXZIKWMVUFE-DNRKLUKYSA-N 1 2 243.347 1.323 20 0 BDADLO COc1ccccc1C[NH2+]Cc1cn(C)nn1 ZINC000054858428 537047482 /nfs/dbraw/zinc/04/74/82/537047482.db2.gz MUSRIROSPFQGCS-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO CN(C)c1cc(N[C@@H](CO)CC2CC2)[nH+]cn1 ZINC000892976241 583023858 /nfs/dbraw/zinc/02/38/58/583023858.db2.gz CBKHRSWLHUHETF-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(N[C@@H](CO)CC2CC2)nc[nH+]1 ZINC000892976241 583023860 /nfs/dbraw/zinc/02/38/60/583023860.db2.gz CBKHRSWLHUHETF-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO c1[nH]cc(CCc2nc(-c3cccnc3)no2)[nH+]1 ZINC000438833629 566372264 /nfs/dbraw/zinc/37/22/64/566372264.db2.gz QLDOGTDIEULOPB-UHFFFAOYSA-N 1 2 241.254 1.640 20 0 BDADLO c1[nH]c(CCc2nc(-c3cccnc3)no2)c[nH+]1 ZINC000438833629 566372276 /nfs/dbraw/zinc/37/22/76/566372276.db2.gz QLDOGTDIEULOPB-UHFFFAOYSA-N 1 2 241.254 1.640 20 0 BDADLO CCCC(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893519523 583156115 /nfs/dbraw/zinc/15/61/15/583156115.db2.gz QUVUMEXAMNGYOK-VIFPVBQESA-N 1 2 208.261 1.980 20 0 BDADLO CCCC(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893519522 583156130 /nfs/dbraw/zinc/15/61/30/583156130.db2.gz QUVUMEXAMNGYOK-SECBINFHSA-N 1 2 208.261 1.980 20 0 BDADLO CSCCCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000893674356 583193002 /nfs/dbraw/zinc/19/30/02/583193002.db2.gz GRADPNOFENUJOC-UHFFFAOYSA-N 1 2 240.376 1.732 20 0 BDADLO CSCCCN(C)c1cc(N(C)C)nc[nH+]1 ZINC000893674356 583193006 /nfs/dbraw/zinc/19/30/06/583193006.db2.gz GRADPNOFENUJOC-UHFFFAOYSA-N 1 2 240.376 1.732 20 0 BDADLO Cc1nn(CC2CC2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852962329 588714746 /nfs/dbraw/zinc/71/47/46/588714746.db2.gz FFCBTMBLORBOEE-ZDUSSCGKSA-N 1 2 249.358 1.913 20 0 BDADLO Cc1nn(CC2CC2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852962329 588714747 /nfs/dbraw/zinc/71/47/47/588714747.db2.gz FFCBTMBLORBOEE-ZDUSSCGKSA-N 1 2 249.358 1.913 20 0 BDADLO COc1ccccc1[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000853092840 588719369 /nfs/dbraw/zinc/71/93/69/588719369.db2.gz PFUOMGFVNQKANG-GFCCVEGCSA-N 1 2 247.298 1.242 20 0 BDADLO CN(C)c1ccc(CNc2cc(F)ncn2)c[nH+]1 ZINC000853153616 588723064 /nfs/dbraw/zinc/72/30/64/588723064.db2.gz YCOBIZODLBZMLT-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO Cc1ccc(CCNc2cc(F)ncn2)c[nH+]1 ZINC000853315201 588732267 /nfs/dbraw/zinc/73/22/67/588732267.db2.gz YFFJITWQLAFLBZ-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Fc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)ncn1 ZINC000853427551 588741492 /nfs/dbraw/zinc/74/14/92/588741492.db2.gz NZDCVNOZOQHXQB-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO Fc1cc(N2CCC(c3c[nH+]c[nH]3)CC2)ncn1 ZINC000853427551 588741493 /nfs/dbraw/zinc/74/14/93/588741493.db2.gz NZDCVNOZOQHXQB-UHFFFAOYSA-N 1 2 247.277 1.723 20 0 BDADLO CC[C@]1(C)CC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501682 588746520 /nfs/dbraw/zinc/74/65/20/588746520.db2.gz KUVDXIRVLCUARE-LLVKDONJSA-N 1 2 225.292 1.224 20 0 BDADLO CC[C@]1(C)CC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501682 588746521 /nfs/dbraw/zinc/74/65/21/588746521.db2.gz KUVDXIRVLCUARE-LLVKDONJSA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c(=O)o1 ZINC000853505927 588746635 /nfs/dbraw/zinc/74/66/35/588746635.db2.gz CYYIWVFHYCHHCB-JTQLQIEISA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@H](C(C)(C)C)C2)c(=O)o1 ZINC000853505927 588746636 /nfs/dbraw/zinc/74/66/36/588746636.db2.gz CYYIWVFHYCHHCB-JTQLQIEISA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c(=O)o1 ZINC000853509539 588746745 /nfs/dbraw/zinc/74/67/45/588746745.db2.gz YGHJJNOKIDRTHS-SECBINFHSA-N 1 2 237.303 1.367 20 0 BDADLO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c(=O)o1 ZINC000853509539 588746746 /nfs/dbraw/zinc/74/67/46/588746746.db2.gz YGHJJNOKIDRTHS-SECBINFHSA-N 1 2 237.303 1.367 20 0 BDADLO Cc1nn(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c(=O)o1 ZINC000853506079 588746788 /nfs/dbraw/zinc/74/67/88/588746788.db2.gz GIRCDPXNVRPZGL-VIFPVBQESA-N 1 2 239.319 1.470 20 0 BDADLO Cc1nn(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c(=O)o1 ZINC000853506079 588746789 /nfs/dbraw/zinc/74/67/89/588746789.db2.gz GIRCDPXNVRPZGL-VIFPVBQESA-N 1 2 239.319 1.470 20 0 BDADLO COC[C@H]1CC[N@@H+]1CN1CC[C@H](C(C)C)C1=O ZINC000853513307 588747079 /nfs/dbraw/zinc/74/70/79/588747079.db2.gz CCDGVPCHGZGOGW-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@H]1CC[N@H+]1CN1CC[C@H](C(C)C)C1=O ZINC000853513307 588747080 /nfs/dbraw/zinc/74/70/80/588747080.db2.gz CCDGVPCHGZGOGW-VXGBXAGGSA-N 1 2 240.347 1.169 20 0 BDADLO CC(C)[C@@H]1CCN(C[N@@H+]2CC[C@@H](F)C2)C1=O ZINC000853517612 588747349 /nfs/dbraw/zinc/74/73/49/588747349.db2.gz YXAVLCSZFNPPNM-MNOVXSKESA-N 1 2 228.311 1.492 20 0 BDADLO CC(C)[C@@H]1CCN(C[N@H+]2CC[C@@H](F)C2)C1=O ZINC000853517612 588747350 /nfs/dbraw/zinc/74/73/50/588747350.db2.gz YXAVLCSZFNPPNM-MNOVXSKESA-N 1 2 228.311 1.492 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H](OC)C1CCC1 ZINC000853674240 588754876 /nfs/dbraw/zinc/75/48/76/588754876.db2.gz UTAWOJFODREPFJ-WCBMZHEXSA-N 1 2 230.308 1.335 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cncs1 ZINC000853674118 588755014 /nfs/dbraw/zinc/75/50/14/588755014.db2.gz SAMVNRZSHFQQTL-LURJTMIESA-N 1 2 215.278 1.176 20 0 BDADLO CC1(CO[NH+]=C(N)[C@@H]2CCCO2)CCC1 ZINC000853698715 588757654 /nfs/dbraw/zinc/75/76/54/588757654.db2.gz SDLTYKKVYDGCDQ-VIFPVBQESA-N 1 2 212.293 1.854 20 0 BDADLO COc1ccc(N[C@H]2C[C@@H](C)n3ncnc32)[nH+]c1 ZINC000853771194 588762459 /nfs/dbraw/zinc/76/24/59/588762459.db2.gz WDJWYHNZUXIYNF-SCZZXKLOSA-N 1 2 245.286 1.800 20 0 BDADLO CC(C)c1nc(N(C)Cc2cn(C)nn2)cc[nH+]1 ZINC000853860943 588766517 /nfs/dbraw/zinc/76/65/17/588766517.db2.gz RGVLPNOFANFLSV-UHFFFAOYSA-N 1 2 246.318 1.365 20 0 BDADLO C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854182677 588777071 /nfs/dbraw/zinc/77/70/71/588777071.db2.gz PHNRINILTRHIOG-VIFPVBQESA-N 1 2 207.277 1.353 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](C2CC2)C1 ZINC000854487481 588789358 /nfs/dbraw/zinc/78/93/58/588789358.db2.gz ORTZUDPNVJHQAM-LLVKDONJSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000854526338 588790676 /nfs/dbraw/zinc/79/06/76/588790676.db2.gz MJMRDVPOSXTWFV-CYBMUJFWSA-N 1 2 245.326 1.743 20 0 BDADLO COCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345128 588794639 /nfs/dbraw/zinc/79/46/39/588794639.db2.gz XIJRVNYTNUYKME-JTQLQIEISA-N 1 2 239.319 1.060 20 0 BDADLO CO[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000854684823 588801141 /nfs/dbraw/zinc/80/11/41/588801141.db2.gz GJEJBJOOZJFKKT-MNOVXSKESA-N 1 2 249.314 1.259 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854684557 588801276 /nfs/dbraw/zinc/80/12/76/588801276.db2.gz BNRYKADWWJMCFA-HLTSFMKQSA-N 1 2 205.261 1.100 20 0 BDADLO Cc1ccoc1CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000854684950 588801303 /nfs/dbraw/zinc/80/13/03/588801303.db2.gz GZTMOHLXCDODFH-JTQLQIEISA-N 1 2 245.282 1.588 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CC2)C1 ZINC000854686557 588801415 /nfs/dbraw/zinc/80/14/15/588801415.db2.gz YFNQQSSRKQUELD-VIFPVBQESA-N 1 2 231.299 1.137 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CC2)C1 ZINC000854686557 588801416 /nfs/dbraw/zinc/80/14/16/588801416.db2.gz YFNQQSSRKQUELD-VIFPVBQESA-N 1 2 231.299 1.137 20 0 BDADLO CC(C)(NC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000854824931 588812086 /nfs/dbraw/zinc/81/20/86/588812086.db2.gz SMYXEUMYWYBEQK-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854842210 588813036 /nfs/dbraw/zinc/81/30/36/588813036.db2.gz GKDSTNWJDJTXLS-UWVGGRQHSA-N 1 2 221.304 1.361 20 0 BDADLO CC1=NO[C@@H](C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000854960200 588818961 /nfs/dbraw/zinc/81/89/61/588818961.db2.gz FLKSOBIYZCHVCB-GFCCVEGCSA-N 1 2 247.298 1.479 20 0 BDADLO CC(C)c1ocnc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134424 588822777 /nfs/dbraw/zinc/82/27/77/588822777.db2.gz NXWOIZSMHVZBBN-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CC(C)c1ocnc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134424 588822778 /nfs/dbraw/zinc/82/27/78/588822778.db2.gz NXWOIZSMHVZBBN-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CC1=C(C(=O)N(C)Cc2c[nH+]c[nH]2)CCCO1 ZINC000855135385 588823215 /nfs/dbraw/zinc/82/32/15/588823215.db2.gz IPJHKLJPFXNBIJ-UHFFFAOYSA-N 1 2 235.287 1.453 20 0 BDADLO CC1=C(C(=O)N(C)Cc2c[nH]c[nH+]2)CCCO1 ZINC000855135385 588823216 /nfs/dbraw/zinc/82/32/16/588823216.db2.gz IPJHKLJPFXNBIJ-UHFFFAOYSA-N 1 2 235.287 1.453 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C(F)F)CC1 ZINC000855135429 588823248 /nfs/dbraw/zinc/82/32/48/588823248.db2.gz KWTTWTSEQRFSBN-UHFFFAOYSA-N 1 2 229.230 1.413 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C(F)F)CC1 ZINC000855135429 588823249 /nfs/dbraw/zinc/82/32/49/588823249.db2.gz KWTTWTSEQRFSBN-UHFFFAOYSA-N 1 2 229.230 1.413 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)nc1 ZINC000855136319 588823522 /nfs/dbraw/zinc/82/35/22/588823522.db2.gz OPZHKGJJZUCTTI-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)nc1 ZINC000855136319 588823523 /nfs/dbraw/zinc/82/35/23/588823523.db2.gz OPZHKGJJZUCTTI-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2C[C@H](C)OC(C)(C)C2)C1 ZINC000113242346 588827935 /nfs/dbraw/zinc/82/79/35/588827935.db2.gz YNTVIZVTEQJVPO-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2C[C@H](C)OC(C)(C)C2)C1 ZINC000113242346 588827936 /nfs/dbraw/zinc/82/79/36/588827936.db2.gz YNTVIZVTEQJVPO-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](CCNC(=O)[C@H](F)C(F)(F)F)[NH+](C)C ZINC000855416735 588832108 /nfs/dbraw/zinc/83/21/08/588832108.db2.gz ZIRKNOGCMOERGH-RQJHMYQMSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@H](CCNC(=O)C(F)C(F)(F)F)[NH+](C)C ZINC000855416735 588832109 /nfs/dbraw/zinc/83/21/09/588832109.db2.gz ZIRKNOGCMOERGH-RQJHMYQMSA-N 1 2 244.232 1.343 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000855427902 588834194 /nfs/dbraw/zinc/83/41/94/588834194.db2.gz PMGSPBIBVVMWIN-GHMZBOCLSA-N 1 2 231.299 1.280 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000855432805 588835646 /nfs/dbraw/zinc/83/56/46/588835646.db2.gz BLERNBNILXHASB-VHSXEESVSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000855432805 588835647 /nfs/dbraw/zinc/83/56/47/588835647.db2.gz BLERNBNILXHASB-VHSXEESVSA-N 1 2 231.299 1.349 20 0 BDADLO Cn1ncc(CNc2cc3cc[nH]c3c[nH+]2)n1 ZINC000804848953 582607914 /nfs/dbraw/zinc/60/79/14/582607914.db2.gz WQSPCFAATVXQBX-UHFFFAOYSA-N 1 2 228.259 1.304 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000846091666 582644884 /nfs/dbraw/zinc/64/48/84/582644884.db2.gz NNUZXHLHAGVJAY-NSHDSACASA-N 1 2 240.347 1.757 20 0 BDADLO C[C@@H]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC000855796363 588848728 /nfs/dbraw/zinc/84/87/28/588848728.db2.gz HERGBHMOUURSLQ-NXEZZACHSA-N 1 2 237.303 1.026 20 0 BDADLO NC(=O)[C@@H]1CCCCN1Cc1[nH+]ccn1C1CC1 ZINC000891489113 582692552 /nfs/dbraw/zinc/69/25/52/582692552.db2.gz FKHOCKIZCCQCNH-NSHDSACASA-N 1 2 248.330 1.058 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891542705 582695553 /nfs/dbraw/zinc/69/55/53/582695553.db2.gz JQIVFSNMEHIIJZ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891542705 582695554 /nfs/dbraw/zinc/69/55/54/582695554.db2.gz JQIVFSNMEHIIJZ-SNVBAGLBSA-N 1 2 235.331 1.518 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)cnc1F ZINC000891542140 582695848 /nfs/dbraw/zinc/69/58/48/582695848.db2.gz JACWNXRWSOBMBT-JTQLQIEISA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)cnc1F ZINC000891542140 582695850 /nfs/dbraw/zinc/69/58/50/582695850.db2.gz JACWNXRWSOBMBT-JTQLQIEISA-N 1 2 224.279 1.750 20 0 BDADLO CCc1c(C)nc2ncnn2c1-n1cc[nH+]c1 ZINC000891547516 582696320 /nfs/dbraw/zinc/69/63/20/582696320.db2.gz ATORJKRMUAWXME-UHFFFAOYSA-N 1 2 228.259 1.181 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000891561908 582697432 /nfs/dbraw/zinc/69/74/32/582697432.db2.gz HNDQWUNCNPPKMW-GFCCVEGCSA-N 1 2 235.331 1.829 20 0 BDADLO CCOc1ccc(C[N@H+](CC)CC(=O)NC)o1 ZINC000891612318 582702354 /nfs/dbraw/zinc/70/23/54/582702354.db2.gz VYZLSMZCTCHUQN-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO CCOc1ccc(C[N@@H+](CC)CC(=O)NC)o1 ZINC000891612318 582702356 /nfs/dbraw/zinc/70/23/56/582702356.db2.gz VYZLSMZCTCHUQN-UHFFFAOYSA-N 1 2 240.303 1.246 20 0 BDADLO CC[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)CCO1 ZINC000891684865 582710284 /nfs/dbraw/zinc/71/02/84/582710284.db2.gz YNLPPKMTOZTGRL-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO CC[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)CCO1 ZINC000891684865 582710285 /nfs/dbraw/zinc/71/02/85/582710285.db2.gz YNLPPKMTOZTGRL-SNVBAGLBSA-N 1 2 236.319 1.158 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC(C2CC2)C2CC2)c1 ZINC000891723333 582713927 /nfs/dbraw/zinc/71/39/27/582713927.db2.gz MFCUXRIKFGVCMD-UHFFFAOYSA-N 1 2 248.330 1.408 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cncs1 ZINC000131464497 582718053 /nfs/dbraw/zinc/71/80/53/582718053.db2.gz NLRMDTLKOJAFAC-UHFFFAOYSA-N 1 2 210.262 1.124 20 0 BDADLO COc1nccc(C[N@H+](C)[C@H]2CCOC2)c1F ZINC000891936636 582740854 /nfs/dbraw/zinc/74/08/54/582740854.db2.gz ZZEYXBKIROTLDG-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COc1nccc(C[N@@H+](C)[C@H]2CCOC2)c1F ZINC000891936636 582740855 /nfs/dbraw/zinc/74/08/55/582740855.db2.gz ZZEYXBKIROTLDG-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO C[N@H+](Cc1nccn1C1CC1)[C@H]1CCOC1 ZINC000891936587 582740983 /nfs/dbraw/zinc/74/09/83/582740983.db2.gz XXYVMKMHCLFQMM-NSHDSACASA-N 1 2 221.304 1.439 20 0 BDADLO C[N@@H+](Cc1nccn1C1CC1)[C@H]1CCOC1 ZINC000891936587 582740985 /nfs/dbraw/zinc/74/09/85/582740985.db2.gz XXYVMKMHCLFQMM-NSHDSACASA-N 1 2 221.304 1.439 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCCCNC2=O)[nH+]1 ZINC000891960672 582748325 /nfs/dbraw/zinc/74/83/25/582748325.db2.gz PFVKJJYMZCXLKJ-ONGXEEELSA-N 1 2 249.314 1.216 20 0 BDADLO CCn1cc(C[N@@H+]2CCc3cn[nH]c3C2)c(C)n1 ZINC000892091693 582789956 /nfs/dbraw/zinc/78/99/56/582789956.db2.gz NDMVJPOYYOYAKQ-UHFFFAOYSA-N 1 2 245.330 1.493 20 0 BDADLO COCC[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892251350 582813502 /nfs/dbraw/zinc/81/35/02/582813502.db2.gz IMEUVVXTLOKRPI-NXEZZACHSA-N 1 2 224.304 1.972 20 0 BDADLO O[C@H]1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000892325821 582845958 /nfs/dbraw/zinc/84/59/58/582845958.db2.gz RAXTZMKOVFCCKE-NSHDSACASA-N 1 2 245.326 1.802 20 0 BDADLO Cc1cccnc1CNc1cc(N(C)C)nc[nH+]1 ZINC000892339787 582860294 /nfs/dbraw/zinc/86/02/94/582860294.db2.gz LSVDFPXMNONQMU-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1cccnc1CNc1cc(N(C)C)[nH+]cn1 ZINC000892339787 582860297 /nfs/dbraw/zinc/86/02/97/582860297.db2.gz LSVDFPXMNONQMU-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CC[C@H](CO)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856287174 588867533 /nfs/dbraw/zinc/86/75/33/588867533.db2.gz OVURNVUBHIJBHN-SNVBAGLBSA-N 1 2 247.298 1.600 20 0 BDADLO CC[S@@](=O)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000892453860 582890307 /nfs/dbraw/zinc/89/03/07/582890307.db2.gz ZCGVNKNTOUVZAU-XXFAHNHDSA-N 1 2 242.344 1.315 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CCC(=O)N(C)C2)[nH+]1 ZINC000892616079 582931005 /nfs/dbraw/zinc/93/10/05/582931005.db2.gz XHSWMSUUDWIJKW-ZJUUUORDSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCC(=O)N(C)C2)[nH+]1 ZINC000892616075 582931199 /nfs/dbraw/zinc/93/11/99/582931199.db2.gz XHSWMSUUDWIJKW-VHSXEESVSA-N 1 2 249.314 1.168 20 0 BDADLO CNc1cc(NC[C@@H](O)c2ccc(C)o2)[nH+]cn1 ZINC000892663084 582944592 /nfs/dbraw/zinc/94/45/92/582944592.db2.gz RYJIRVOHKUCGMJ-SECBINFHSA-N 1 2 248.286 1.565 20 0 BDADLO CCOc1ccc(CN[C@@H]2CCC[N@H+](C)C2)o1 ZINC000892665770 582945278 /nfs/dbraw/zinc/94/52/78/582945278.db2.gz UKIMSWFTVCWOTR-LLVKDONJSA-N 1 2 238.331 1.862 20 0 BDADLO CCOc1ccc(CN[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000892665770 582945279 /nfs/dbraw/zinc/94/52/79/582945279.db2.gz UKIMSWFTVCWOTR-LLVKDONJSA-N 1 2 238.331 1.862 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccccc2CO)nn1 ZINC000892672498 582947683 /nfs/dbraw/zinc/94/76/83/582947683.db2.gz OIWMNKNHWZDRQW-UHFFFAOYSA-N 1 2 246.314 1.080 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCc1ccco1 ZINC000856223697 588864858 /nfs/dbraw/zinc/86/48/58/588864858.db2.gz DZPGJSHTURCVFF-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000851749863 582966183 /nfs/dbraw/zinc/96/61/83/582966183.db2.gz OQJHRDHIABKYPC-VIFPVBQESA-N 1 2 245.319 1.069 20 0 BDADLO C[C@@H](NC(=O)c1cccc(F)n1)c1[nH+]ccn1C ZINC000856281214 588866770 /nfs/dbraw/zinc/86/67/70/588866770.db2.gz MVNXNJJUMPJDMA-MRVPVSSYSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@@H](NC(=O)C1(F)CC1)c1[nH+]ccn1C ZINC000856280447 588866842 /nfs/dbraw/zinc/86/68/42/588866842.db2.gz RVQJXWOVRJGENC-SSDOTTSWSA-N 1 2 211.240 1.099 20 0 BDADLO C[C@H](NC(=O)/C=C\[C@H]1CCOC1)c1[nH+]ccn1C ZINC000856280183 588867037 /nfs/dbraw/zinc/86/70/37/588867037.db2.gz KFXTWYAQDPAKQM-WZQADMAKSA-N 1 2 249.314 1.190 20 0 BDADLO FC(F)OCC[N@@H+]1CCOCC12CC2 ZINC000852018215 582992960 /nfs/dbraw/zinc/99/29/60/582992960.db2.gz KEADESLTGFUSFY-UHFFFAOYSA-N 1 2 207.220 1.090 20 0 BDADLO FC(F)OCC[N@H+]1CCOCC12CC2 ZINC000852018215 582992961 /nfs/dbraw/zinc/99/29/61/582992961.db2.gz KEADESLTGFUSFY-UHFFFAOYSA-N 1 2 207.220 1.090 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)CCCO)[nH+]1 ZINC000892884368 583005345 /nfs/dbraw/zinc/00/53/45/583005345.db2.gz ZEFGNYXBHPQKHM-NXEZZACHSA-N 1 2 224.304 1.708 20 0 BDADLO CC[C@H](CO)Nc1cc(NC2CC=CC2)[nH+]cn1 ZINC000892918043 583009610 /nfs/dbraw/zinc/00/96/10/583009610.db2.gz VPXJUMYIXIXNCK-SNVBAGLBSA-N 1 2 248.330 1.790 20 0 BDADLO CC[C@H](CO)Nc1cc(NC2CC=CC2)nc[nH+]1 ZINC000892918043 583009612 /nfs/dbraw/zinc/00/96/12/583009612.db2.gz VPXJUMYIXIXNCK-SNVBAGLBSA-N 1 2 248.330 1.790 20 0 BDADLO C[NH+]1CCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000114201658 588872107 /nfs/dbraw/zinc/87/21/07/588872107.db2.gz VYPKSTKCDZVUAU-UHFFFAOYSA-N 1 2 233.271 1.149 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC000892959831 583021151 /nfs/dbraw/zinc/02/11/51/583021151.db2.gz QBQNWEFYMZLRAY-GMTAPVOTSA-N 1 2 236.315 1.850 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccncc1F ZINC000648374229 583023159 /nfs/dbraw/zinc/02/31/59/583023159.db2.gz MOSWTVXTCNYAFL-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccncc1F ZINC000648374229 583023162 /nfs/dbraw/zinc/02/31/62/583023162.db2.gz MOSWTVXTCNYAFL-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO CNc1cc(N2CCOC3(CCC3)C2)nc[nH+]1 ZINC000893056909 583039428 /nfs/dbraw/zinc/03/94/28/583039428.db2.gz WKHUTFBGOIXMAQ-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO CNc1cc(N2CCOC3(CCC3)C2)[nH+]cn1 ZINC000893056909 583039429 /nfs/dbraw/zinc/03/94/29/583039429.db2.gz WKHUTFBGOIXMAQ-UHFFFAOYSA-N 1 2 234.303 1.278 20 0 BDADLO CCc1cc(N[C@H](C)c2nc[nH]n2)nc(CC)[nH+]1 ZINC000893065075 583040422 /nfs/dbraw/zinc/04/04/22/583040422.db2.gz JGWLNKZXIYAMJJ-MRVPVSSYSA-N 1 2 246.318 1.893 20 0 BDADLO CCc1cc(N[C@H](C)c2nnc[nH]2)nc(CC)[nH+]1 ZINC000893065075 583040424 /nfs/dbraw/zinc/04/04/24/583040424.db2.gz JGWLNKZXIYAMJJ-MRVPVSSYSA-N 1 2 246.318 1.893 20 0 BDADLO C[C@](CO)([NH2+]Cc1cocn1)c1ccccc1 ZINC000395149079 583045539 /nfs/dbraw/zinc/04/55/39/583045539.db2.gz IOVPBBKFHNPVNB-CYBMUJFWSA-N 1 2 232.283 1.672 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)[C@@H]2CCCO2)n1 ZINC000854132188 583075761 /nfs/dbraw/zinc/07/57/61/583075761.db2.gz OKMIMNCHTRBFAS-ZJUUUORDSA-N 1 2 239.319 1.537 20 0 BDADLO CCc1cc(N2CC[C@](O)(CC)C2)nc(CC)[nH+]1 ZINC000893279792 583083646 /nfs/dbraw/zinc/08/36/46/583083646.db2.gz QXDQPAWDMDAFCA-CQSZACIVSA-N 1 2 249.358 1.953 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2cocn2)c1 ZINC000397872386 583110202 /nfs/dbraw/zinc/11/02/02/583110202.db2.gz GGXJUHVBCHYZAH-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cn1nnc(C[NH2+]Cc2ccccc2C2CC2)n1 ZINC000398026891 583117024 /nfs/dbraw/zinc/11/70/24/583117024.db2.gz HSHWIFMTGHPQCG-UHFFFAOYSA-N 1 2 243.314 1.377 20 0 BDADLO CCc1cc(N(C)CC2(CO)CC2)nc(CC)[nH+]1 ZINC000893382445 583133462 /nfs/dbraw/zinc/13/34/62/583133462.db2.gz PUCXFTMTLDBVFF-UHFFFAOYSA-N 1 2 249.358 1.810 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1cccn1C ZINC000893515352 583155647 /nfs/dbraw/zinc/15/56/47/583155647.db2.gz FTRWCKDLSAGKAU-NSHDSACASA-N 1 2 245.282 1.832 20 0 BDADLO COC1CCC(C[NH+]2CC(F)C2)CC1 ZINC000893522382 583157010 /nfs/dbraw/zinc/15/70/10/583157010.db2.gz SHOYMRBPZXEEJE-UHFFFAOYSA-N 1 2 201.285 1.845 20 0 BDADLO FCCn1cc(C[NH2+]Cc2ccno2)cn1 ZINC000893547674 583162073 /nfs/dbraw/zinc/16/20/73/583162073.db2.gz ACMXDOPMOODWDS-UHFFFAOYSA-N 1 2 224.239 1.130 20 0 BDADLO CC[C@@H]1CN(c2ccc([C@H](C)O)c[nH+]2)CCO1 ZINC000213220950 583164485 /nfs/dbraw/zinc/16/44/85/583164485.db2.gz GJTHSLIHIYMHIG-CMPLNLGQSA-N 1 2 236.315 1.750 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000893578289 583166774 /nfs/dbraw/zinc/16/67/74/583166774.db2.gz KSTIAZUXEHQSBA-NKWVEPMBSA-N 1 2 243.332 1.449 20 0 BDADLO C[C@]1(O)CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000893601078 583171047 /nfs/dbraw/zinc/17/10/47/583171047.db2.gz YBLWXNFWNKPEPV-ZDUSSCGKSA-N 1 2 246.314 1.471 20 0 BDADLO O=C(Nc1ccc(Cl)nc1)[C@@H]1CSC[NH2+]1 ZINC000122109008 583172692 /nfs/dbraw/zinc/17/26/92/583172692.db2.gz WXIHGCGFTRPXHA-ZETCQYMHSA-N 1 2 243.719 1.336 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCn2ncnc2C1 ZINC000893660443 583189350 /nfs/dbraw/zinc/18/93/50/583189350.db2.gz DSKMGZXIZFBWND-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCn2ncnc2C1 ZINC000893660443 583189352 /nfs/dbraw/zinc/18/93/52/583189352.db2.gz DSKMGZXIZFBWND-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC[C@H](F)C1 ZINC000857049773 588884803 /nfs/dbraw/zinc/88/48/03/588884803.db2.gz SXIDPBIEARWAQY-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC[C@H](F)C1 ZINC000857049773 588884804 /nfs/dbraw/zinc/88/48/04/588884804.db2.gz SXIDPBIEARWAQY-JTQLQIEISA-N 1 2 209.268 1.719 20 0 BDADLO C[C@H](O)c1cccc(NCC2=CCCOC2)[nH+]1 ZINC000893866567 583234761 /nfs/dbraw/zinc/23/47/61/583234761.db2.gz JGPPOAVVYUPHLY-JTQLQIEISA-N 1 2 234.299 1.894 20 0 BDADLO C[C@@H](O)c1cccc(NCC2=CCCOC2)[nH+]1 ZINC000893866569 583235109 /nfs/dbraw/zinc/23/51/09/583235109.db2.gz JGPPOAVVYUPHLY-SNVBAGLBSA-N 1 2 234.299 1.894 20 0 BDADLO CCN(CC(=O)NC)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893940192 583255176 /nfs/dbraw/zinc/25/51/76/583255176.db2.gz LAMDZZQJWGXYAA-UHFFFAOYSA-N 1 2 238.335 1.101 20 0 BDADLO Cc1ncoc1C[N@@H+](C)Cc1cnccn1 ZINC000893977912 583266353 /nfs/dbraw/zinc/26/63/53/583266353.db2.gz NIPPGVYLOKAQFW-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO Cc1ncoc1C[N@H+](C)Cc1cnccn1 ZINC000893977912 583266355 /nfs/dbraw/zinc/26/63/55/583266355.db2.gz NIPPGVYLOKAQFW-UHFFFAOYSA-N 1 2 218.260 1.405 20 0 BDADLO Cc1ncoc1C[N@H+](CCO)Cc1cccnc1 ZINC000894001728 583272794 /nfs/dbraw/zinc/27/27/94/583272794.db2.gz JPEZYYSYLLGHTO-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1ncoc1C[N@@H+](CCO)Cc1cccnc1 ZINC000894001728 583272796 /nfs/dbraw/zinc/27/27/96/583272796.db2.gz JPEZYYSYLLGHTO-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO CCC[C@@H](CNc1cc(N(C)C)nc[nH+]1)OC ZINC000894016112 583275476 /nfs/dbraw/zinc/27/54/76/583275476.db2.gz KLUOSHBKDGZQET-JTQLQIEISA-N 1 2 238.335 1.770 20 0 BDADLO CCC[C@@H](CNc1cc(N(C)C)[nH+]cn1)OC ZINC000894016112 583275477 /nfs/dbraw/zinc/27/54/77/583275477.db2.gz KLUOSHBKDGZQET-JTQLQIEISA-N 1 2 238.335 1.770 20 0 BDADLO CC(C)c1c[nH]c(C[NH+]2CCC(C)(O)CC2)n1 ZINC000894031508 583277136 /nfs/dbraw/zinc/27/71/36/583277136.db2.gz YZJUWLPYZGRRMM-UHFFFAOYSA-N 1 2 237.347 1.880 20 0 BDADLO CN(C)c1cc(NCCC(C)(C)CO)[nH+]cn1 ZINC000894029411 583281866 /nfs/dbraw/zinc/28/18/66/583281866.db2.gz DJDXZZWJSGYTNV-UHFFFAOYSA-N 1 2 238.335 1.363 20 0 BDADLO CN(C)c1cc(NCCC(C)(C)CO)nc[nH+]1 ZINC000894029411 583281869 /nfs/dbraw/zinc/28/18/69/583281869.db2.gz DJDXZZWJSGYTNV-UHFFFAOYSA-N 1 2 238.335 1.363 20 0 BDADLO CN(Cc1cnn(C2CCC2)c1)Cc1[nH]cc[nH+]1 ZINC000894092369 583299496 /nfs/dbraw/zinc/29/94/96/583299496.db2.gz ZFODTVMWMRGTRI-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO OCCC[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000894134486 583313518 /nfs/dbraw/zinc/31/35/18/583313518.db2.gz MMTOLBQBFHUBRF-NSHDSACASA-N 1 2 246.314 1.328 20 0 BDADLO COCc1nccc(NCCc2cn(C)c[nH+]2)n1 ZINC000894150873 583319051 /nfs/dbraw/zinc/31/90/51/583319051.db2.gz HQBWVASOCXRVPC-UHFFFAOYSA-N 1 2 247.302 1.011 20 0 BDADLO C[C@H]1CC[C@H](CNc2cc(N(C)C)nc[nH+]2)O1 ZINC000894152355 583319191 /nfs/dbraw/zinc/31/91/91/583319191.db2.gz KKCULMVWTRIGNW-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1CC[C@H](CNc2cc(N(C)C)[nH+]cn2)O1 ZINC000894152355 583319193 /nfs/dbraw/zinc/31/91/93/583319193.db2.gz KKCULMVWTRIGNW-VHSXEESVSA-N 1 2 236.319 1.522 20 0 BDADLO CCc1cc(NC[C@H]2COCO2)nc(CC)[nH+]1 ZINC000894178289 583328778 /nfs/dbraw/zinc/32/87/78/583328778.db2.gz LLQAYBQYTFBEIH-JTQLQIEISA-N 1 2 237.303 1.386 20 0 BDADLO Cc1ncoc1CN[C@@H]1CCC[N@@H+](C)C1 ZINC000894199898 583336678 /nfs/dbraw/zinc/33/66/78/583336678.db2.gz SYRUDCOPRHRSJQ-SNVBAGLBSA-N 1 2 209.293 1.167 20 0 BDADLO Cc1ncoc1CN[C@@H]1CCC[N@H+](C)C1 ZINC000894199898 583336680 /nfs/dbraw/zinc/33/66/80/583336680.db2.gz SYRUDCOPRHRSJQ-SNVBAGLBSA-N 1 2 209.293 1.167 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCNC(=O)CC2)[nH+]1 ZINC000894206774 583349579 /nfs/dbraw/zinc/34/95/79/583349579.db2.gz OXILEFZZKSFBOB-VHSXEESVSA-N 1 2 249.314 1.216 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CN1CCC1=O ZINC000857235824 588900524 /nfs/dbraw/zinc/90/05/24/588900524.db2.gz AWFRBHHVDADGPN-MNOVXSKESA-N 1 2 226.320 1.066 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CN1CCC1=O ZINC000857235824 588900525 /nfs/dbraw/zinc/90/05/25/588900525.db2.gz AWFRBHHVDADGPN-MNOVXSKESA-N 1 2 226.320 1.066 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)cc(=O)[nH]1 ZINC000894239056 583386571 /nfs/dbraw/zinc/38/65/71/583386571.db2.gz OFZXYAUCSTWLOW-UHFFFAOYSA-N 1 2 230.271 1.806 20 0 BDADLO O=C1CCN1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000857229599 588897014 /nfs/dbraw/zinc/89/70/14/588897014.db2.gz WJTMWKIPSNVEKI-UHFFFAOYSA-N 1 2 248.301 1.980 20 0 BDADLO O=C1CCN1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000857229599 588897016 /nfs/dbraw/zinc/89/70/16/588897016.db2.gz WJTMWKIPSNVEKI-UHFFFAOYSA-N 1 2 248.301 1.980 20 0 BDADLO CN(C)c1cccc(C[NH2+]Cc2cnc[nH]2)n1 ZINC000894358120 583436773 /nfs/dbraw/zinc/43/67/73/583436773.db2.gz CIKFELHRTZTKAQ-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1CN1CCC1=O ZINC000857234697 588898986 /nfs/dbraw/zinc/89/89/86/588898986.db2.gz MAWVPVWIPYMNPB-SNVBAGLBSA-N 1 2 216.284 1.753 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1CN1CCC1=O ZINC000857234697 588898987 /nfs/dbraw/zinc/89/89/87/588898987.db2.gz MAWVPVWIPYMNPB-SNVBAGLBSA-N 1 2 216.284 1.753 20 0 BDADLO CC(C)=CCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000894390654 583446492 /nfs/dbraw/zinc/44/64/92/583446492.db2.gz LQNCTSWLDVAASB-UHFFFAOYSA-N 1 2 236.319 1.576 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](CO)CCF)[nH+]1 ZINC000894401729 583449911 /nfs/dbraw/zinc/44/99/11/583449911.db2.gz DXKSMHQMOOPQFV-RKDXNWHRSA-N 1 2 228.267 1.267 20 0 BDADLO O=C1CCN1C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000857236473 588899745 /nfs/dbraw/zinc/89/97/45/588899745.db2.gz FIULIWRLSODHGP-UHFFFAOYSA-N 1 2 243.310 1.361 20 0 BDADLO O=C1CCN1C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000857236473 588899746 /nfs/dbraw/zinc/89/97/46/588899746.db2.gz FIULIWRLSODHGP-UHFFFAOYSA-N 1 2 243.310 1.361 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC(C)(C)C2)[nH+]cn1 ZINC000894481805 583469164 /nfs/dbraw/zinc/46/91/64/583469164.db2.gz RYQVADZYQYOEAT-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(N[C@@H]2COC(C)(C)C2)nc[nH+]1 ZINC000894481805 583469165 /nfs/dbraw/zinc/46/91/65/583469165.db2.gz RYQVADZYQYOEAT-VIFPVBQESA-N 1 2 236.319 1.522 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000894488525 583470476 /nfs/dbraw/zinc/47/04/76/583470476.db2.gz YVFPOOJJIZJTFP-UWVGGRQHSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000894488525 583470477 /nfs/dbraw/zinc/47/04/77/583470477.db2.gz YVFPOOJJIZJTFP-UWVGGRQHSA-N 1 2 223.320 1.507 20 0 BDADLO CNc1cc(N2CC3(CCC3)OC[C@@H]2C)nc[nH+]1 ZINC000894525567 583477234 /nfs/dbraw/zinc/47/72/34/583477234.db2.gz DSIKQOOXAHQWNO-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CC3(CCC3)OC[C@@H]2C)[nH+]cn1 ZINC000894525567 583477236 /nfs/dbraw/zinc/47/72/36/583477236.db2.gz DSIKQOOXAHQWNO-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1C ZINC000894532541 583478203 /nfs/dbraw/zinc/47/82/03/583478203.db2.gz HVZAOFJGCSDCEP-PELKAZGASA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1C ZINC000894532541 583478205 /nfs/dbraw/zinc/47/82/05/583478205.db2.gz HVZAOFJGCSDCEP-PELKAZGASA-N 1 2 223.320 1.229 20 0 BDADLO CO[C@H]1C[N@H+](Cc2n[nH]c(C)c2C)CC[C@@H]1C ZINC000894532967 583478274 /nfs/dbraw/zinc/47/82/74/583478274.db2.gz LRMZXMPEPYXBFO-ZANVPECISA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2n[nH]c(C)c2C)CC[C@@H]1C ZINC000894532967 583478276 /nfs/dbraw/zinc/47/82/76/583478276.db2.gz LRMZXMPEPYXBFO-ZANVPECISA-N 1 2 237.347 1.883 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000894535405 583479688 /nfs/dbraw/zinc/47/96/88/583479688.db2.gz SGKORLHEOBWPPL-GDPRMGEGSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000894535405 583479690 /nfs/dbraw/zinc/47/96/90/583479690.db2.gz SGKORLHEOBWPPL-GDPRMGEGSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000894566483 583484246 /nfs/dbraw/zinc/48/42/46/583484246.db2.gz KUNZLUWVBSYSBS-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000894566483 583484247 /nfs/dbraw/zinc/48/42/47/583484247.db2.gz KUNZLUWVBSYSBS-FVMDXXJSSA-N 1 2 242.344 1.326 20 0 BDADLO CCc1nnc(C[NH+]2CC(C3CC3)C2)s1 ZINC000894567171 583484877 /nfs/dbraw/zinc/48/48/77/583484877.db2.gz SOQACANDKAHZBV-UHFFFAOYSA-N 1 2 223.345 1.942 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000894566693 583485371 /nfs/dbraw/zinc/48/53/71/583485371.db2.gz NADXGPAGRQCATP-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000894566693 583485373 /nfs/dbraw/zinc/48/53/73/583485373.db2.gz NADXGPAGRQCATP-JDNHERCYSA-N 1 2 242.344 1.183 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cc(F)ncc1F ZINC000894585370 583489299 /nfs/dbraw/zinc/48/92/99/583489299.db2.gz GHBSZUAAWQAXCC-UHFFFAOYSA-N 1 2 238.241 1.715 20 0 BDADLO Cc1cnn(C)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000894585119 583489368 /nfs/dbraw/zinc/48/93/68/583489368.db2.gz DFAAINOOWLARHJ-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CN(Cc1cnn2c1CCC2)Cc1[nH]cc[nH+]1 ZINC000894587201 583490153 /nfs/dbraw/zinc/49/01/53/583490153.db2.gz UTGSOHYKXRZZOV-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO O[C@H]1Cc2ccccc2N(Cc2c[nH+]c[nH]2)C1 ZINC000894592527 583492018 /nfs/dbraw/zinc/49/20/18/583492018.db2.gz JSMAMIOGXFJKLS-LBPRGKRZSA-N 1 2 229.283 1.333 20 0 BDADLO O[C@H]1Cc2ccccc2N(Cc2c[nH]c[nH+]2)C1 ZINC000894592527 583492019 /nfs/dbraw/zinc/49/20/19/583492019.db2.gz JSMAMIOGXFJKLS-LBPRGKRZSA-N 1 2 229.283 1.333 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccnc(OC)c1F ZINC000894613099 583494162 /nfs/dbraw/zinc/49/41/62/583494162.db2.gz SHILYMDCTJVWJN-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccnc(OC)c1F ZINC000894613099 583494165 /nfs/dbraw/zinc/49/41/65/583494165.db2.gz SHILYMDCTJVWJN-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO CN(CC1=CCSC1)c1nccn2c[nH+]cc12 ZINC000894639516 583498775 /nfs/dbraw/zinc/49/87/75/583498775.db2.gz QOZUOXNTQBYBIZ-UHFFFAOYSA-N 1 2 246.339 1.839 20 0 BDADLO CC(C)N(Cc1[nH+]ccn1C1CC1)C1COC1 ZINC000894658395 583499215 /nfs/dbraw/zinc/49/92/15/583499215.db2.gz GGZVGPPLSVNSEP-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CC[C@H](F)C1)COCC2 ZINC000894670424 583503270 /nfs/dbraw/zinc/50/32/70/583503270.db2.gz HDALENJUUXJBCD-VIFPVBQESA-N 1 2 239.294 1.037 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CC[C@H](F)C1)COCC2 ZINC000894670424 583503272 /nfs/dbraw/zinc/50/32/72/583503272.db2.gz HDALENJUUXJBCD-VIFPVBQESA-N 1 2 239.294 1.037 20 0 BDADLO COc1ccc(C[NH2+][C@@H]2CCn3ccnc32)nc1 ZINC000894669136 583503523 /nfs/dbraw/zinc/50/35/23/583503523.db2.gz QSDFOQAZRCBFFU-GFCCVEGCSA-N 1 2 244.298 1.521 20 0 BDADLO COCCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000894672625 583503905 /nfs/dbraw/zinc/50/39/05/583503905.db2.gz WRASWZFFUOPOIF-SNVBAGLBSA-N 1 2 243.278 1.849 20 0 BDADLO COCCOc1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000894672625 583503907 /nfs/dbraw/zinc/50/39/07/583503907.db2.gz WRASWZFFUOPOIF-SNVBAGLBSA-N 1 2 243.278 1.849 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000894672101 583504308 /nfs/dbraw/zinc/50/43/08/583504308.db2.gz SWIFDXWIUKNIJN-MRVPVSSYSA-N 1 2 225.292 1.940 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000894672101 583504310 /nfs/dbraw/zinc/50/43/10/583504310.db2.gz SWIFDXWIUKNIJN-MRVPVSSYSA-N 1 2 225.292 1.940 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000894736896 583514709 /nfs/dbraw/zinc/51/47/09/583514709.db2.gz WBJGDSKEFDGSDF-PELKAZGASA-N 1 2 249.318 1.311 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000894736896 583514711 /nfs/dbraw/zinc/51/47/11/583514711.db2.gz WBJGDSKEFDGSDF-PELKAZGASA-N 1 2 249.318 1.311 20 0 BDADLO c1cc(C[NH2+]CCO[C@@H]2CCCCO2)[nH]n1 ZINC000894798548 583522175 /nfs/dbraw/zinc/52/21/75/583522175.db2.gz FYMPLAJLVUZYEF-LLVKDONJSA-N 1 2 225.292 1.043 20 0 BDADLO CCOC1C[NH+](Cc2c3c(nn2C)CCC3)C1 ZINC000894819741 583524748 /nfs/dbraw/zinc/52/47/48/583524748.db2.gz PVTAZMHYDBEAMS-UHFFFAOYSA-N 1 2 235.331 1.130 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1cc(C)co1 ZINC000894819203 583524865 /nfs/dbraw/zinc/52/48/65/583524865.db2.gz VQUUGUYZMJKDOP-LBPRGKRZSA-N 1 2 239.315 1.825 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1cc(C)co1 ZINC000894819203 583524868 /nfs/dbraw/zinc/52/48/68/583524868.db2.gz VQUUGUYZMJKDOP-LBPRGKRZSA-N 1 2 239.315 1.825 20 0 BDADLO COC1C[NH+](Cc2cccc3c2OCC3)C1 ZINC000894820538 583525170 /nfs/dbraw/zinc/52/51/70/583525170.db2.gz WTZXQRDVTLIJML-UHFFFAOYSA-N 1 2 219.284 1.452 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C3CCC3)nn2)[C@H]1C ZINC000894862577 583536847 /nfs/dbraw/zinc/53/68/47/583536847.db2.gz ZEMAPIGYBATYAX-UWVGGRQHSA-N 1 2 220.320 1.843 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)[C@H]1C ZINC000894862577 583536849 /nfs/dbraw/zinc/53/68/49/583536849.db2.gz ZEMAPIGYBATYAX-UWVGGRQHSA-N 1 2 220.320 1.843 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000894862902 583537122 /nfs/dbraw/zinc/53/71/22/583537122.db2.gz MEKMLWBBDNVQRX-AOOOYVTPSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000894862902 583537124 /nfs/dbraw/zinc/53/71/24/583537124.db2.gz MEKMLWBBDNVQRX-AOOOYVTPSA-N 1 2 223.320 1.507 20 0 BDADLO COC(=O)[C@H]1[C@H](C[N@@H+]2CC[C@H](F)C2)C1(F)F ZINC000894888884 583547142 /nfs/dbraw/zinc/54/71/42/583547142.db2.gz KLIKYMWZRPYCGZ-BIIVOSGPSA-N 1 2 237.221 1.085 20 0 BDADLO COC(=O)[C@H]1[C@H](C[N@H+]2CC[C@H](F)C2)C1(F)F ZINC000894888884 583547144 /nfs/dbraw/zinc/54/71/44/583547144.db2.gz KLIKYMWZRPYCGZ-BIIVOSGPSA-N 1 2 237.221 1.085 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](CF)C2)c(C)n1 ZINC000894888542 583547313 /nfs/dbraw/zinc/54/73/13/583547313.db2.gz RALMUASIZPBMRH-LBPRGKRZSA-N 1 2 241.310 1.382 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](CF)C2)c(C)n1 ZINC000894888542 583547315 /nfs/dbraw/zinc/54/73/15/583547315.db2.gz RALMUASIZPBMRH-LBPRGKRZSA-N 1 2 241.310 1.382 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000894912846 583554921 /nfs/dbraw/zinc/55/49/21/583554921.db2.gz JBUBZAUFMKKXID-ZYHUDNBSSA-N 1 2 248.330 1.574 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000894925816 583556764 /nfs/dbraw/zinc/55/67/64/583556764.db2.gz ONFNYOZCFCCSEM-BQBZGAKWSA-N 1 2 229.305 1.140 20 0 BDADLO Cc1n[nH]c(C[NH+]2CC(O)(C(C)C)C2)c1C ZINC000894970576 583560830 /nfs/dbraw/zinc/56/08/30/583560830.db2.gz HKPNRBXQYAFCHK-UHFFFAOYSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1C ZINC000895035067 583570506 /nfs/dbraw/zinc/57/05/06/583570506.db2.gz WIJRLHVZAYAXBY-CABZTGNLSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1C ZINC000895035067 583570507 /nfs/dbraw/zinc/57/05/07/583570507.db2.gz WIJRLHVZAYAXBY-CABZTGNLSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)no1 ZINC000857850123 588912930 /nfs/dbraw/zinc/91/29/30/588912930.db2.gz OQZCINCZTWMMAN-NSHDSACASA-N 1 2 232.287 1.873 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H](CF)C1 ZINC000881602348 583580307 /nfs/dbraw/zinc/58/03/07/583580307.db2.gz WNJNGHVGUDQYFN-SNVBAGLBSA-N 1 2 239.294 1.550 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cccn2C)[C@H]1C ZINC000895113302 583591072 /nfs/dbraw/zinc/59/10/72/583591072.db2.gz IMEDHPZECFYAEK-DCAQKATOSA-N 1 2 235.331 1.122 20 0 BDADLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cccn2C)[C@H]1C ZINC000895113302 583591074 /nfs/dbraw/zinc/59/10/74/583591074.db2.gz IMEDHPZECFYAEK-DCAQKATOSA-N 1 2 235.331 1.122 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cccc(O)c1 ZINC000895112276 583591223 /nfs/dbraw/zinc/59/12/23/583591223.db2.gz CGJACNJUELQQLG-AXFHLTTASA-N 1 2 248.326 1.490 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cccc(O)c1 ZINC000895112276 583591225 /nfs/dbraw/zinc/59/12/25/583591225.db2.gz CGJACNJUELQQLG-AXFHLTTASA-N 1 2 248.326 1.490 20 0 BDADLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)ccn1 ZINC000895120620 583594429 /nfs/dbraw/zinc/59/44/29/583594429.db2.gz NAQZSMLRLCKHJJ-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)ccn1 ZINC000895120620 583594430 /nfs/dbraw/zinc/59/44/30/583594430.db2.gz NAQZSMLRLCKHJJ-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1occc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895120981 583595389 /nfs/dbraw/zinc/59/53/89/583595389.db2.gz OFCDCQXXYGBIBT-IVZWLZJFSA-N 1 2 236.315 1.685 20 0 BDADLO Cc1occc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895120981 583595391 /nfs/dbraw/zinc/59/53/91/583595391.db2.gz OFCDCQXXYGBIBT-IVZWLZJFSA-N 1 2 236.315 1.685 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC000895148790 583605524 /nfs/dbraw/zinc/60/55/24/583605524.db2.gz OXCSEZOCMPPQDG-WDEREUQCSA-N 1 2 242.363 1.859 20 0 BDADLO CCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000142393910 583611763 /nfs/dbraw/zinc/61/17/63/583611763.db2.gz ZSDCBUIDAXJFLI-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO Cn1ncnc1C[NH+]1CC(C2CCCC2)C1 ZINC000639254480 583612929 /nfs/dbraw/zinc/61/29/29/583612929.db2.gz WKIYMHIRWOYWKT-UHFFFAOYSA-N 1 2 220.320 1.437 20 0 BDADLO CCCSC[C@@H](C)[NH2+]CC(=O)NOCC ZINC000895174541 583614929 /nfs/dbraw/zinc/61/49/29/583614929.db2.gz GVTDXYDYSMDODI-SECBINFHSA-N 1 2 234.365 1.175 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)C2N=NC(=O)N2C)cn1 ZINC000895178904 583617098 /nfs/dbraw/zinc/61/70/98/583617098.db2.gz YZNNPFOCHUANIW-SECBINFHSA-N 1 2 247.302 1.075 20 0 BDADLO Cc1ncoc1C[NH+]1CC2(CC2(F)F)C1 ZINC000895183788 583618283 /nfs/dbraw/zinc/61/82/83/583618283.db2.gz OMCDASJPWBVBEV-UHFFFAOYSA-N 1 2 214.215 1.824 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1C ZINC000882525946 583618995 /nfs/dbraw/zinc/61/89/95/583618995.db2.gz UHEDYQLUHSEDSQ-MXWKQRLJSA-N 1 2 219.288 1.825 20 0 BDADLO FCCn1cc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000895191096 583621300 /nfs/dbraw/zinc/62/13/00/583621300.db2.gz HCLRWKHXEWIWKY-NSHDSACASA-N 1 2 229.274 1.787 20 0 BDADLO FCCn1cc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000895191096 583621303 /nfs/dbraw/zinc/62/13/03/583621303.db2.gz HCLRWKHXEWIWKY-NSHDSACASA-N 1 2 229.274 1.787 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2nccn2C)c2[nH+]ccn21 ZINC000857773222 588910931 /nfs/dbraw/zinc/91/09/31/588910931.db2.gz LWERZWOLFWLYED-DTWKUNHWSA-N 1 2 245.286 1.052 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)c2nccn2C)c2[nH+]ccn21 ZINC000857773220 588911111 /nfs/dbraw/zinc/91/11/11/588911111.db2.gz LWERZWOLFWLYED-BDAKNGLRSA-N 1 2 245.286 1.052 20 0 BDADLO Cc1nnc(CN(C)Cc2c(C)cc[nH+]c2N)o1 ZINC000895251857 583633305 /nfs/dbraw/zinc/63/33/05/583633305.db2.gz YIYSLKCKGKIMPJ-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO Cc1[nH]nc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1C ZINC000895260764 583634100 /nfs/dbraw/zinc/63/41/00/583634100.db2.gz SAVPCQQGJUQKDX-IUCAKERBSA-N 1 2 237.347 1.475 20 0 BDADLO CC1=NO[C@H](C[NH2+]Cc2nccs2)C1 ZINC000895308812 583646409 /nfs/dbraw/zinc/64/64/09/583646409.db2.gz OOAQOMFBEICDLU-QMMMGPOBSA-N 1 2 211.290 1.398 20 0 BDADLO FCCn1cc(NCc2c[nH+]c[nH]2)cn1 ZINC000895392088 583664063 /nfs/dbraw/zinc/66/40/63/583664063.db2.gz LCWMASWNWFPZQJ-UHFFFAOYSA-N 1 2 209.228 1.188 20 0 BDADLO FCCn1cc(NCc2c[nH]c[nH+]2)cn1 ZINC000895392088 583664064 /nfs/dbraw/zinc/66/40/64/583664064.db2.gz LCWMASWNWFPZQJ-UHFFFAOYSA-N 1 2 209.228 1.188 20 0 BDADLO CCC(CC)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895398118 583664906 /nfs/dbraw/zinc/66/49/06/583664906.db2.gz MNFWJAGGORGBOP-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO CCC(CC)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895398118 583664907 /nfs/dbraw/zinc/66/49/07/583664907.db2.gz MNFWJAGGORGBOP-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO FC(F)[C@H]1CC[N@@H+]1CCC[C@H]1CCO1 ZINC000895431880 583670730 /nfs/dbraw/zinc/67/07/30/583670730.db2.gz RPWQNHAZJRRXOI-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@H]1CC[N@H+]1CCC[C@H]1CCO1 ZINC000895431880 583670731 /nfs/dbraw/zinc/67/07/31/583670731.db2.gz RPWQNHAZJRRXOI-DTWKUNHWSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@@H](O)C1([NH2+][C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000895441932 583675074 /nfs/dbraw/zinc/67/50/74/583675074.db2.gz HRIFJDHFAOAKFP-RKDXNWHRSA-N 1 2 229.320 1.220 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nccs1 ZINC000895450096 583675900 /nfs/dbraw/zinc/67/59/00/583675900.db2.gz SUDSOFARVMEVMK-QMMMGPOBSA-N 1 2 239.344 1.954 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nccs1 ZINC000895450096 583675902 /nfs/dbraw/zinc/67/59/02/583675902.db2.gz SUDSOFARVMEVMK-QMMMGPOBSA-N 1 2 239.344 1.954 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3nccnc3C2)o1 ZINC000895455781 583677167 /nfs/dbraw/zinc/67/71/67/583677167.db2.gz CVKJPABTDXYDEV-UHFFFAOYSA-N 1 2 245.282 1.637 20 0 BDADLO COc1ccc(C[N@H+]2CCc3nccnc3C2)o1 ZINC000895455781 583677168 /nfs/dbraw/zinc/67/71/68/583677168.db2.gz CVKJPABTDXYDEV-UHFFFAOYSA-N 1 2 245.282 1.637 20 0 BDADLO CC1(C)CC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000857884850 588920840 /nfs/dbraw/zinc/92/08/40/588920840.db2.gz GJQRGTVTPJZHAO-JTQLQIEISA-N 1 2 233.315 1.360 20 0 BDADLO Cc1cnc(NCc2cc(N(C)C)cc[nH+]2)nc1 ZINC000895465939 583678856 /nfs/dbraw/zinc/67/88/56/583678856.db2.gz NSYQFEWZUSWMHK-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1nnc(NCc2cc(N(C)C)cc[nH+]2)s1 ZINC000895466998 583679071 /nfs/dbraw/zinc/67/90/71/583679071.db2.gz ZTZLTRPXSCEMHR-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO COC(=O)CC1CC(Nc2cc(C)[nH+]cn2)C1 ZINC000895498401 583681441 /nfs/dbraw/zinc/68/14/41/583681441.db2.gz OARREOJERYCWLL-UHFFFAOYSA-N 1 2 235.287 1.539 20 0 BDADLO COC(=O)/C(C)=C/CNc1cc(CO)cc[nH+]1 ZINC000895513489 583682517 /nfs/dbraw/zinc/68/25/17/583682517.db2.gz ONYGGYUUADNJTQ-YCRREMRBSA-N 1 2 236.271 1.105 20 0 BDADLO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC000895535341 583683980 /nfs/dbraw/zinc/68/39/80/583683980.db2.gz ZMCDMTZDAQZZDL-HTRCEHHLSA-N 1 2 245.124 1.068 20 0 BDADLO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC000895535341 583683982 /nfs/dbraw/zinc/68/39/82/583683982.db2.gz ZMCDMTZDAQZZDL-HTRCEHHLSA-N 1 2 245.124 1.068 20 0 BDADLO COC(=O)/C(C)=C/CNc1cc[nH+]c(C2CC2)n1 ZINC000895515147 583683203 /nfs/dbraw/zinc/68/32/03/583683203.db2.gz YEARCKPRANFBHW-WEVVVXLNSA-N 1 2 247.298 1.885 20 0 BDADLO NC(CO)=[NH+]OCCCOCc1ccccc1 ZINC000883012621 583684189 /nfs/dbraw/zinc/68/41/89/583684189.db2.gz MNTMPAHKLNIHLC-UHFFFAOYSA-N 1 2 238.287 1.084 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885896 588921360 /nfs/dbraw/zinc/92/13/60/588921360.db2.gz PRFXCEBOZBFQHO-ZUYFITGHSA-N 1 2 219.288 1.280 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857889392 588921514 /nfs/dbraw/zinc/92/15/14/588921514.db2.gz JUNABCICADUIAY-SNVBAGLBSA-N 1 2 219.288 1.280 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000895538012 583687290 /nfs/dbraw/zinc/68/72/90/583687290.db2.gz YEUNGVWHLLPBIK-SFKDOBOXSA-N 1 2 245.330 1.788 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000895538012 583687291 /nfs/dbraw/zinc/68/72/91/583687291.db2.gz YEUNGVWHLLPBIK-SFKDOBOXSA-N 1 2 245.330 1.788 20 0 BDADLO CCC[N@H+](CCC(=O)N(C)OC)CC(F)F ZINC000788015916 583690680 /nfs/dbraw/zinc/69/06/80/583690680.db2.gz HMVXVQSAIGHFSE-UHFFFAOYSA-N 1 2 238.278 1.373 20 0 BDADLO CCC[N@@H+](CCC(=O)N(C)OC)CC(F)F ZINC000788015916 583690681 /nfs/dbraw/zinc/69/06/81/583690681.db2.gz HMVXVQSAIGHFSE-UHFFFAOYSA-N 1 2 238.278 1.373 20 0 BDADLO Cc1ncoc1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000895564760 583690855 /nfs/dbraw/zinc/69/08/55/583690855.db2.gz LPEHONLQUAGXKV-UHFFFAOYSA-N 1 2 223.320 1.509 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000895564760 583690857 /nfs/dbraw/zinc/69/08/57/583690857.db2.gz LPEHONLQUAGXKV-UHFFFAOYSA-N 1 2 223.320 1.509 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C(C)(C)C2)sn1 ZINC000895565315 583693721 /nfs/dbraw/zinc/69/37/21/583693721.db2.gz YBSXGTAAWVOWQU-UHFFFAOYSA-N 1 2 239.388 1.978 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C(C)(C)C2)sn1 ZINC000895565315 583693722 /nfs/dbraw/zinc/69/37/22/583693722.db2.gz YBSXGTAAWVOWQU-UHFFFAOYSA-N 1 2 239.388 1.978 20 0 BDADLO C[C@H]1CO[C@@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608617 583695379 /nfs/dbraw/zinc/69/53/79/583695379.db2.gz QVIJSCYSIIKUTI-GHMZBOCLSA-N 1 2 249.314 1.035 20 0 BDADLO COC(=O)C[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC000895617557 583697271 /nfs/dbraw/zinc/69/72/71/583697271.db2.gz CAIXDZHMNLEFAS-MWLCHTKSSA-N 1 2 249.314 1.420 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC000895649438 583699582 /nfs/dbraw/zinc/69/95/82/583699582.db2.gz QJENJFUOMUOMNT-PRHODGIISA-N 1 2 243.228 1.671 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)c(F)c(F)c1)C2 ZINC000895649438 583699583 /nfs/dbraw/zinc/69/95/83/583699583.db2.gz QJENJFUOMUOMNT-PRHODGIISA-N 1 2 243.228 1.671 20 0 BDADLO Cc1cc(N[C@H]2CCCNC(=O)C2)c[nH+]c1C ZINC000895645036 583700333 /nfs/dbraw/zinc/70/03/33/583700333.db2.gz KYHPJWPEFFVECR-NSHDSACASA-N 1 2 233.315 1.779 20 0 BDADLO Cc1occc1C[N@@H+]1CCc2ncncc2C1 ZINC000895723177 583712952 /nfs/dbraw/zinc/71/29/52/583712952.db2.gz DKJOTVXAEGDGTH-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1occc1C[N@H+]1CCc2ncncc2C1 ZINC000895723177 583712953 /nfs/dbraw/zinc/71/29/53/583712953.db2.gz DKJOTVXAEGDGTH-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO c1cc(C[N@@H+]2CCCn3nncc3C2)co1 ZINC000895757046 583720437 /nfs/dbraw/zinc/72/04/37/583720437.db2.gz OIMKZHLAJUDQMA-UHFFFAOYSA-N 1 2 218.260 1.277 20 0 BDADLO c1cc(C[N@H+]2CCCn3nncc3C2)co1 ZINC000895757046 583720439 /nfs/dbraw/zinc/72/04/39/583720439.db2.gz OIMKZHLAJUDQMA-UHFFFAOYSA-N 1 2 218.260 1.277 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)CCO1 ZINC000895762759 583722365 /nfs/dbraw/zinc/72/23/65/583722365.db2.gz SUDUNNKMUYDPMT-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)CCO1 ZINC000895762759 583722366 /nfs/dbraw/zinc/72/23/66/583722366.db2.gz SUDUNNKMUYDPMT-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO CCC/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857936397 588924245 /nfs/dbraw/zinc/92/42/45/588924245.db2.gz FQBSEQJGOKHDLB-WYGGZMRJSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCOC1=O ZINC000895804431 583731686 /nfs/dbraw/zinc/73/16/86/583731686.db2.gz SMDNATYBASKVMW-SKDRFNHKSA-N 1 2 237.274 1.662 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1(F)F ZINC000857976396 588925259 /nfs/dbraw/zinc/92/52/59/588925259.db2.gz CWWLETJLRMFUBC-XVKPBYJWSA-N 1 2 241.241 1.489 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000895910295 583745105 /nfs/dbraw/zinc/74/51/05/583745105.db2.gz PDVDWSLDGHMYBZ-PSASIEDQSA-N 1 2 234.303 1.498 20 0 BDADLO C[C@@H]1COC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000895910295 583745107 /nfs/dbraw/zinc/74/51/07/583745107.db2.gz PDVDWSLDGHMYBZ-PSASIEDQSA-N 1 2 234.303 1.498 20 0 BDADLO CC(C)OC1C[NH+](Cc2cccnc2)C1 ZINC000895952842 583751447 /nfs/dbraw/zinc/75/14/47/583751447.db2.gz QCIPLJBPGCSHJF-UHFFFAOYSA-N 1 2 206.289 1.691 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CC12CC2 ZINC000857977144 588926596 /nfs/dbraw/zinc/92/65/96/588926596.db2.gz SIEVRINHZLHOFV-IUCAKERBSA-N 1 2 217.272 1.244 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc3c2OCC3)CCO1 ZINC000895964512 583754055 /nfs/dbraw/zinc/75/40/55/583754055.db2.gz XKQDRVNXHCQHEI-ZDUSSCGKSA-N 1 2 249.310 1.426 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc3c2OCC3)CCO1 ZINC000895964512 583754056 /nfs/dbraw/zinc/75/40/56/583754056.db2.gz XKQDRVNXHCQHEI-ZDUSSCGKSA-N 1 2 249.310 1.426 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CC1(F)F ZINC000857976916 588926767 /nfs/dbraw/zinc/92/67/67/588926767.db2.gz OMAYAZNSKDIOGA-RQJHMYQMSA-N 1 2 227.214 1.099 20 0 BDADLO COCC1C[NH+](Cc2cnc(Cl)n2C)C1 ZINC000895975219 583756954 /nfs/dbraw/zinc/75/69/54/583756954.db2.gz ROWLTDZWVSDSHA-UHFFFAOYSA-N 1 2 229.711 1.152 20 0 BDADLO COCC1C[NH+](Cc2nc(C)cs2)C1 ZINC000895971975 583756990 /nfs/dbraw/zinc/75/69/90/583756990.db2.gz ZWEZXBGGGLFLRN-UHFFFAOYSA-N 1 2 212.318 1.530 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000857977473 588926933 /nfs/dbraw/zinc/92/69/33/588926933.db2.gz VWGLKUITCVDYGC-WHOHXGKFSA-N 1 2 245.326 1.880 20 0 BDADLO CCC/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977484 588927000 /nfs/dbraw/zinc/92/70/00/588927000.db2.gz VYULTKRVDRMSOE-ORAHPGNNSA-N 1 2 219.288 1.800 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCCCO1 ZINC000857980584 588927182 /nfs/dbraw/zinc/92/71/82/588927182.db2.gz LWGVKQZOWMEEAA-GXSJLCMTSA-N 1 2 235.287 1.013 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccc(F)n1 ZINC000857980788 588927361 /nfs/dbraw/zinc/92/73/61/588927361.db2.gz PWFRWROYTKPNKU-QMMMGPOBSA-N 1 2 246.245 1.292 20 0 BDADLO CC[C@@](C)(OC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979121 588927418 /nfs/dbraw/zinc/92/74/18/588927418.db2.gz NDXXXXSGXDOTGQ-JOYOIKCWSA-N 1 2 237.303 1.259 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3ncncc3C2)o1 ZINC000896037746 583766317 /nfs/dbraw/zinc/76/63/17/583766317.db2.gz BLWYWCCKRVLNRM-UHFFFAOYSA-N 1 2 245.282 1.637 20 0 BDADLO COc1ccc(C[N@H+]2CCc3ncncc3C2)o1 ZINC000896037746 583766318 /nfs/dbraw/zinc/76/63/18/583766318.db2.gz BLWYWCCKRVLNRM-UHFFFAOYSA-N 1 2 245.282 1.637 20 0 BDADLO COCCOC[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000896038658 583766330 /nfs/dbraw/zinc/76/63/30/583766330.db2.gz UVUNNGJGNRUVNC-YUMQZZPRSA-N 1 2 211.252 1.281 20 0 BDADLO C[NH+](C)C1(c2nc(C3CCOCC3)no2)CC1 ZINC000896059257 583767515 /nfs/dbraw/zinc/76/75/15/583767515.db2.gz NEFUTUFMOGONEQ-UHFFFAOYSA-N 1 2 237.303 1.514 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCO1 ZINC000857982650 588927774 /nfs/dbraw/zinc/92/77/74/588927774.db2.gz KWABOUNOHIEVHS-CABZTGNLSA-N 1 2 235.287 1.013 20 0 BDADLO O=C(CC[C@@H]1CCOC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983010 588928179 /nfs/dbraw/zinc/92/81/79/588928179.db2.gz ODWLTBQNALGZJJ-MNOVXSKESA-N 1 2 249.314 1.261 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000857981915 588928277 /nfs/dbraw/zinc/92/82/77/588928277.db2.gz CFLLJRNAWUHTKR-XZUYRWCXSA-N 1 2 245.326 1.880 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(C2CC2)CC1 ZINC000896156162 583776109 /nfs/dbraw/zinc/77/61/09/583776109.db2.gz RMTNSHXYOYWUHS-UHFFFAOYSA-N 1 2 219.288 1.227 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@H](O)C2CCC2)n1 ZINC000896164090 583776493 /nfs/dbraw/zinc/77/64/93/583776493.db2.gz GAEGJEAWIGXUDX-NSHDSACASA-N 1 2 248.286 1.227 20 0 BDADLO C[C@@]1(CNc2cc(CO)cc[nH+]2)CCCCO1 ZINC000896179915 583779607 /nfs/dbraw/zinc/77/96/07/583779607.db2.gz AVJVPMNVUAPDGV-ZDUSSCGKSA-N 1 2 236.315 1.945 20 0 BDADLO CCC[C@H](O)CCNc1cc[nH+]c(C)n1 ZINC000896185768 583780130 /nfs/dbraw/zinc/78/01/30/583780130.db2.gz AAIZYZPRAINYDT-JTQLQIEISA-N 1 2 209.293 1.748 20 0 BDADLO CCC[C@@H](O)CCNc1nc[nH+]c(N)c1OC ZINC000896186989 583780944 /nfs/dbraw/zinc/78/09/44/583780944.db2.gz VITUXZMZULRRDU-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BDADLO CCC[C@@H](O)CCNc1[nH+]cnc(N)c1OC ZINC000896186989 583780946 /nfs/dbraw/zinc/78/09/46/583780946.db2.gz VITUXZMZULRRDU-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1=CCCC1 ZINC000857986944 588929437 /nfs/dbraw/zinc/92/94/37/588929437.db2.gz QAJUJPYLDZPGCA-SNVBAGLBSA-N 1 2 217.272 1.554 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1C ZINC000857988323 588929511 /nfs/dbraw/zinc/92/95/11/588929511.db2.gz ILHZWCYVOLNRIZ-SNVBAGLBSA-N 1 2 244.298 1.405 20 0 BDADLO O=C1NCCC2(CCN(c3cccc[nH+]3)CC2)O1 ZINC000896304457 583789859 /nfs/dbraw/zinc/78/98/59/583789859.db2.gz HTMZWARKXPCODJ-UHFFFAOYSA-N 1 2 247.298 1.551 20 0 BDADLO CCO[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000896404977 583800281 /nfs/dbraw/zinc/80/02/81/583800281.db2.gz UUXPBXQZMRIDKU-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO CCO[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000896404977 583800283 /nfs/dbraw/zinc/80/02/83/583800283.db2.gz UUXPBXQZMRIDKU-JTQLQIEISA-N 1 2 236.319 1.158 20 0 BDADLO C[NH+](C)C1(c2nc(C3(C)CC3)no2)CC1 ZINC000896443172 583802651 /nfs/dbraw/zinc/80/26/51/583802651.db2.gz DZGDVGZMXHXKPU-UHFFFAOYSA-N 1 2 207.277 1.672 20 0 BDADLO COC1(C(=O)N2CCNc3[nH+]cc(C)cc32)CC1 ZINC000858002524 588930544 /nfs/dbraw/zinc/93/05/44/588930544.db2.gz VMFIFLPHICYUPI-UHFFFAOYSA-N 1 2 247.298 1.328 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857941841 588924551 /nfs/dbraw/zinc/92/45/51/588924551.db2.gz OFARKASKOMAEQA-RUYJGKKWSA-N 1 2 233.315 1.670 20 0 BDADLO COCc1cc(C[N@@H+]2CCOC[C@@H](C)C2)no1 ZINC000896598962 583816948 /nfs/dbraw/zinc/81/69/48/583816948.db2.gz HTJLOTUNSGXGJB-JTQLQIEISA-N 1 2 240.303 1.289 20 0 BDADLO COCc1cc(C[N@H+]2CCOC[C@@H](C)C2)no1 ZINC000896598962 583816949 /nfs/dbraw/zinc/81/69/49/583816949.db2.gz HTJLOTUNSGXGJB-JTQLQIEISA-N 1 2 240.303 1.289 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cc(C)ncn1)C2 ZINC000896650983 583821027 /nfs/dbraw/zinc/82/10/27/583821027.db2.gz OPDCDNUVULPQDJ-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO Cn1nnc2c1C[C@@H](Nc1cccc[nH+]1)CC2 ZINC000896680014 583822891 /nfs/dbraw/zinc/82/28/91/583822891.db2.gz KJVSCHVLXFWPDS-VIFPVBQESA-N 1 2 229.287 1.180 20 0 BDADLO O=c1ccc(C[N@@H+]2CCn3cccc3C2)c[nH]1 ZINC000896761990 583831261 /nfs/dbraw/zinc/83/12/61/583831261.db2.gz YBHKAURXOWYLGE-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO O=c1ccc(C[N@H+]2CCn3cccc3C2)c[nH]1 ZINC000896761990 583831262 /nfs/dbraw/zinc/83/12/62/583831262.db2.gz YBHKAURXOWYLGE-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CCO[C@H]2C)[nH+]c1C ZINC000896912661 583853631 /nfs/dbraw/zinc/85/36/31/583853631.db2.gz CLAPFSGLNGULHU-UWVGGRQHSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CCCOC2)[nH+]c1C ZINC000896920814 583856581 /nfs/dbraw/zinc/85/65/81/583856581.db2.gz SLXIEPAXHNNKCG-JTQLQIEISA-N 1 2 237.303 1.069 20 0 BDADLO CO[C@H](C)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920351 583857534 /nfs/dbraw/zinc/85/75/34/583857534.db2.gz CICHCASYFYIHJI-SSDOTTSWSA-N 1 2 225.292 1.068 20 0 BDADLO COCCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920366 583857812 /nfs/dbraw/zinc/85/78/12/583857812.db2.gz CUCPOPPRLWSNMB-UHFFFAOYSA-N 1 2 239.319 1.459 20 0 BDADLO CONC(=O)C[NH2+]CCc1cc(C)cc(C)c1 ZINC000896925085 583858019 /nfs/dbraw/zinc/85/80/19/583858019.db2.gz TUHHYRKUEBMVNW-UHFFFAOYSA-N 1 2 236.315 1.113 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000896926978 583858441 /nfs/dbraw/zinc/85/84/41/583858441.db2.gz MSUSMNJOQLCHNY-XKGSQUFQSA-N 1 2 240.347 1.468 20 0 BDADLO Cc1noc(C)c1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896928828 583859262 /nfs/dbraw/zinc/85/92/62/583859262.db2.gz BWNHAERXRXJPRO-UHFFFAOYSA-N 1 2 248.286 1.561 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858183400 588937555 /nfs/dbraw/zinc/93/75/55/588937555.db2.gz DPIHJZHZGKZWKQ-MIMYLULJSA-N 1 2 226.320 1.078 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C2OCCO2)cc[nH+]1 ZINC000897006435 583868352 /nfs/dbraw/zinc/86/83/52/583868352.db2.gz GGCRULLCKZWNMV-SNVBAGLBSA-N 1 2 235.287 1.127 20 0 BDADLO C[C@H]1CC2(CC(Nc3cc(CO)cc[nH+]3)C2)CO1 ZINC000897046210 583872854 /nfs/dbraw/zinc/87/28/54/583872854.db2.gz RJFVWTNHJRHDQL-JKDOVBDQSA-N 1 2 248.326 1.943 20 0 BDADLO C[C@@H]1CC2(CC(Nc3cc(CO)cc[nH+]3)C2)CO1 ZINC000897046211 583873073 /nfs/dbraw/zinc/87/30/73/583873073.db2.gz RJFVWTNHJRHDQL-PWQPVHBWSA-N 1 2 248.326 1.943 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2CC23CC(O)C3)[nH+]1 ZINC000897087443 583878399 /nfs/dbraw/zinc/87/83/99/583878399.db2.gz NKALNRNTPJKSPG-CQFAJZQUSA-N 1 2 234.299 1.460 20 0 BDADLO OC[C@@H]1CCN1c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000897119727 583882274 /nfs/dbraw/zinc/88/22/74/583882274.db2.gz GQSXLHYDDBKJBZ-NSHDSACASA-N 1 2 245.326 1.802 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1nccn2c[nH+]cc12 ZINC000897142114 583883727 /nfs/dbraw/zinc/88/37/27/583883727.db2.gz GDJIGRBONXZIFP-MWLCHTKSSA-N 1 2 232.287 1.343 20 0 BDADLO CCc1ccc(C(=O)NCc2[nH+]ccn2C)s1 ZINC000728545267 583896642 /nfs/dbraw/zinc/89/66/42/583896642.db2.gz WLOBBDJMFSQNEF-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO Cc1scc(CNC(=O)Cc2[nH]cc[nH+]2)c1C ZINC000870297671 583914040 /nfs/dbraw/zinc/91/40/40/583914040.db2.gz QVYNRYRYFZWWKM-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@@H](O)[C@@H](F)C2)[nH+]c1 ZINC000897378517 583946174 /nfs/dbraw/zinc/94/61/74/583946174.db2.gz CNRLVPIKDLWQIB-INTQDDNPSA-N 1 2 240.278 1.044 20 0 BDADLO Cc1cnc2c(c1)N(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000888145225 583970665 /nfs/dbraw/zinc/97/06/65/583970665.db2.gz CZNVAXQMUUIDFK-UHFFFAOYSA-N 1 2 242.282 1.245 20 0 BDADLO Cc1cnc2c(c1)N(C(=O)Cc1c[nH]c[nH+]1)CC2 ZINC000888145225 583970666 /nfs/dbraw/zinc/97/06/66/583970666.db2.gz CZNVAXQMUUIDFK-UHFFFAOYSA-N 1 2 242.282 1.245 20 0 BDADLO CCc1nc(N[C@@H]2COC[C@@H]2C2CC2)cc[nH+]1 ZINC000897451445 583986118 /nfs/dbraw/zinc/98/61/18/583986118.db2.gz NAVVYEPDNACULF-GHMZBOCLSA-N 1 2 233.315 1.876 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2COC[C@@H]2C2CC2)c1 ZINC000897449574 583987039 /nfs/dbraw/zinc/98/70/39/583987039.db2.gz AOALZMDFMOQGLY-NEPJUHHUSA-N 1 2 234.299 1.411 20 0 BDADLO Nc1nc(NC/C=C/Cl)nc(C2CC2)[nH+]1 ZINC000897500631 583997790 /nfs/dbraw/zinc/99/77/90/583997790.db2.gz HIXXRNUBYNWAGX-DAFODLJHSA-N 1 2 225.683 1.496 20 0 BDADLO Nc1nc(NC/C=C/Cl)[nH+]c(C2CC2)n1 ZINC000897500631 583997791 /nfs/dbraw/zinc/99/77/91/583997791.db2.gz HIXXRNUBYNWAGX-DAFODLJHSA-N 1 2 225.683 1.496 20 0 BDADLO CC[C@H](NC(=O)c1ccc(C=O)[nH]1)c1[nH]cc[nH+]1 ZINC000785420955 584007217 /nfs/dbraw/zinc/00/72/17/584007217.db2.gz HQMOOGJHGPFQNM-VIFPVBQESA-N 1 2 246.270 1.431 20 0 BDADLO Cc1ccc(C[NH+]2CC(N3CCCC3=O)C2)nc1 ZINC000897786799 584048326 /nfs/dbraw/zinc/04/83/26/584048326.db2.gz ZXJHQLJLPKUJJJ-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cnccc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897785179 584048360 /nfs/dbraw/zinc/04/83/60/584048360.db2.gz YBDGPMPGSCMJQV-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2CC(C3CC3)C2)c[nH+]1 ZINC000897807545 584049800 /nfs/dbraw/zinc/04/98/00/584049800.db2.gz BTPBUKMRQQFESY-UHFFFAOYSA-N 1 2 247.342 1.795 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCCCCF)c[nH+]1 ZINC000897808132 584049807 /nfs/dbraw/zinc/04/98/07/584049807.db2.gz MNHFZFRIEOLAFN-UHFFFAOYSA-N 1 2 241.310 1.793 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OC ZINC000897834454 584052766 /nfs/dbraw/zinc/05/27/66/584052766.db2.gz PEYLYDJFMDGEEI-OPRDCNLKSA-N 1 2 231.361 1.669 20 0 BDADLO COC[C@@H](C)C[NH+]1CC(OC)(C(F)(F)F)C1 ZINC000897880206 584057325 /nfs/dbraw/zinc/05/73/25/584057325.db2.gz NXRFVXOLZPOSSW-QMMMGPOBSA-N 1 2 241.253 1.532 20 0 BDADLO CC(=O)c1cn(C2C[NH+](CC3(C)CC3)C2)nn1 ZINC000897939406 584063084 /nfs/dbraw/zinc/06/30/84/584063084.db2.gz VMFIORVCOCOHCW-UHFFFAOYSA-N 1 2 234.303 1.138 20 0 BDADLO COC(=O)c1coc(C[NH2+]Cc2cn(C)cn2)c1 ZINC000898046124 584073921 /nfs/dbraw/zinc/07/39/21/584073921.db2.gz ZBXBZWXGTIDLRO-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO COC(=O)c1coc(CNCc2cn(C)c[nH+]2)c1 ZINC000898046124 584073922 /nfs/dbraw/zinc/07/39/22/584073922.db2.gz ZBXBZWXGTIDLRO-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO CCn1ncc(CN[C@H]2CCCn3cc[nH+]c32)n1 ZINC000858444587 588955678 /nfs/dbraw/zinc/95/56/78/588955678.db2.gz NEEMYLNNLQVTKF-NSHDSACASA-N 1 2 246.318 1.119 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187060 584094008 /nfs/dbraw/zinc/09/40/08/584094008.db2.gz CPNVXQXBRMTZKX-WDEREUQCSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898187060 584094009 /nfs/dbraw/zinc/09/40/09/584094009.db2.gz CPNVXQXBRMTZKX-WDEREUQCSA-N 1 2 213.252 1.493 20 0 BDADLO CSc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898188141 584094480 /nfs/dbraw/zinc/09/44/80/584094480.db2.gz KNIMPZBYJQWLPB-ZJUUUORDSA-N 1 2 245.319 1.906 20 0 BDADLO CSc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)o1 ZINC000898188141 584094482 /nfs/dbraw/zinc/09/44/82/584094482.db2.gz KNIMPZBYJQWLPB-ZJUUUORDSA-N 1 2 245.319 1.906 20 0 BDADLO Cc1c(C[N@@H+]2CC[C@H](O)[C@H](F)C2)ccnc1F ZINC000898189533 584094983 /nfs/dbraw/zinc/09/49/83/584094983.db2.gz VFAIFPYACCTKEC-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO Cc1c(C[N@H+]2CC[C@H](O)[C@H](F)C2)ccnc1F ZINC000898189533 584094984 /nfs/dbraw/zinc/09/49/84/584094984.db2.gz VFAIFPYACCTKEC-MNOVXSKESA-N 1 2 242.269 1.434 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cnn3ccccc23)C[C@H]1F ZINC000898194365 584095972 /nfs/dbraw/zinc/09/59/72/584095972.db2.gz YDOBTNWGDSMLGQ-YPMHNXCESA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cnn3ccccc23)C[C@H]1F ZINC000898194365 584095975 /nfs/dbraw/zinc/09/59/75/584095975.db2.gz YDOBTNWGDSMLGQ-YPMHNXCESA-N 1 2 249.289 1.239 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898195299 584096755 /nfs/dbraw/zinc/09/67/55/584096755.db2.gz VXFCVAWFOJMGMP-WDEREUQCSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)o1 ZINC000898195299 584096756 /nfs/dbraw/zinc/09/67/56/584096756.db2.gz VXFCVAWFOJMGMP-WDEREUQCSA-N 1 2 213.252 1.493 20 0 BDADLO COC[C@@H](C)C[NH2+]c1ccc(OC)c(N)c1 ZINC000841039838 584116278 /nfs/dbraw/zinc/11/62/78/584116278.db2.gz CMEZEURVLRBMMD-VIFPVBQESA-N 1 2 224.304 1.972 20 0 BDADLO CC(C)n1cc(C[NH2+]C/C=C\Cl)nn1 ZINC000898426842 584132534 /nfs/dbraw/zinc/13/25/34/584132534.db2.gz AUGZCCJGVLSLJI-ARJAWSKDSA-N 1 2 214.700 1.701 20 0 BDADLO CCn1nc(C)c(C[NH2+]C/C=C/Cl)n1 ZINC000898430049 584134326 /nfs/dbraw/zinc/13/43/26/584134326.db2.gz TXFXJQBIKFRZCR-SNAWJCMRSA-N 1 2 214.700 1.449 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1CCC1 ZINC000898484214 584139143 /nfs/dbraw/zinc/13/91/43/584139143.db2.gz SHEAPSTWIXEPDK-LLVKDONJSA-N 1 2 228.311 1.337 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1CCC1 ZINC000898484214 584139144 /nfs/dbraw/zinc/13/91/44/584139144.db2.gz SHEAPSTWIXEPDK-LLVKDONJSA-N 1 2 228.311 1.337 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898483176 584139530 /nfs/dbraw/zinc/13/95/30/584139530.db2.gz INUXFRMIYKZWEU-VWYCJHECSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898483176 584139532 /nfs/dbraw/zinc/13/95/32/584139532.db2.gz INUXFRMIYKZWEU-VWYCJHECSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)C1CC1 ZINC000898494195 584140174 /nfs/dbraw/zinc/14/01/74/584140174.db2.gz HNVZNTRZHKUOBP-JQWIXIFHSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)C1CC1 ZINC000898494195 584140177 /nfs/dbraw/zinc/14/01/77/584140177.db2.gz HNVZNTRZHKUOBP-JQWIXIFHSA-N 1 2 242.338 1.583 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1CC=CC1 ZINC000898494489 584140186 /nfs/dbraw/zinc/14/01/86/584140186.db2.gz LRRXBFMQXXLBGW-GFCCVEGCSA-N 1 2 240.322 1.503 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1CC=CC1 ZINC000898494489 584140189 /nfs/dbraw/zinc/14/01/89/584140189.db2.gz LRRXBFMQXXLBGW-GFCCVEGCSA-N 1 2 240.322 1.503 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1CC=CC1 ZINC000898494490 584140376 /nfs/dbraw/zinc/14/03/76/584140376.db2.gz LRRXBFMQXXLBGW-LBPRGKRZSA-N 1 2 240.322 1.503 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)C1CC=CC1 ZINC000898494490 584140377 /nfs/dbraw/zinc/14/03/77/584140377.db2.gz LRRXBFMQXXLBGW-LBPRGKRZSA-N 1 2 240.322 1.503 20 0 BDADLO CCCCN(O)C(=O)NCc1cn(C)c[nH+]1 ZINC000898612045 584146665 /nfs/dbraw/zinc/14/66/65/584146665.db2.gz CTLFDDIWJICPMP-UHFFFAOYSA-N 1 2 226.280 1.121 20 0 BDADLO CS[C@@H](C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899035 584165196 /nfs/dbraw/zinc/16/51/96/584165196.db2.gz BZPOCSWESLRLME-VIFPVBQESA-N 1 2 241.360 1.486 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC/C=C/Cl ZINC000899034377 584171545 /nfs/dbraw/zinc/17/15/45/584171545.db2.gz YDRYCGMKJLVCMJ-NSCUHMNNSA-N 1 2 228.683 1.304 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC/C=C/Cl ZINC000899035146 584172164 /nfs/dbraw/zinc/17/21/64/584172164.db2.gz MYWYQRLDHXIJDO-NSCUHMNNSA-N 1 2 228.683 1.304 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC/C=C/Cl ZINC000899035146 584172165 /nfs/dbraw/zinc/17/21/65/584172165.db2.gz MYWYQRLDHXIJDO-NSCUHMNNSA-N 1 2 228.683 1.304 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000899408926 584213118 /nfs/dbraw/zinc/21/31/18/584213118.db2.gz UESPNIAIBXRUDJ-WISYIIOYSA-N 1 2 247.342 1.751 20 0 BDADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000858588000 588967726 /nfs/dbraw/zinc/96/77/26/588967726.db2.gz VBKFNWMNKDJIKP-RKDXNWHRSA-N 1 2 241.291 1.042 20 0 BDADLO C/C(=C(\F)C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000899905315 584251102 /nfs/dbraw/zinc/25/11/02/584251102.db2.gz VLMXTVXRILDZNH-PKNBQFBNSA-N 1 2 226.295 1.414 20 0 BDADLO CC[C@@H](C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899905491 584251388 /nfs/dbraw/zinc/25/13/88/584251388.db2.gz VKNSALBZRMYKLA-LMMOQWNQSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000899916976 584254795 /nfs/dbraw/zinc/25/47/95/584254795.db2.gz DBESCIPERRAQCM-VXGBXAGGSA-N 1 2 247.342 1.998 20 0 BDADLO C/C(Cl)=C\C(=O)NCCCn1cc[nH+]c1 ZINC000899921263 584256466 /nfs/dbraw/zinc/25/64/66/584256466.db2.gz UJBDMFVXILFXQP-VQHVLOKHSA-N 1 2 227.695 1.532 20 0 BDADLO C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000899936930 584258717 /nfs/dbraw/zinc/25/87/17/584258717.db2.gz JXNHBEMYVMRGLG-VIFPVBQESA-N 1 2 207.277 1.353 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000900070593 584269325 /nfs/dbraw/zinc/26/93/25/584269325.db2.gz ADEVMAUDSMDWTF-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000900065199 584270402 /nfs/dbraw/zinc/27/04/02/584270402.db2.gz CVBYUWDFTPVJMI-UHFFFAOYSA-N 1 2 221.304 1.743 20 0 BDADLO COCOCCCNc1cc[nH+]c(C2CC2)n1 ZINC000858606359 588970732 /nfs/dbraw/zinc/97/07/32/588970732.db2.gz SXBDSQUUNMRVMT-UHFFFAOYSA-N 1 2 237.303 1.777 20 0 BDADLO CN(CC1CCCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900109792 584276450 /nfs/dbraw/zinc/27/64/50/584276450.db2.gz LIWLUMQTPUVNIY-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]1c1ccccc1 ZINC000900202512 584287923 /nfs/dbraw/zinc/28/79/23/584287923.db2.gz KVJMWDFNUIOXOH-CYBMUJFWSA-N 1 2 241.294 1.926 20 0 BDADLO CCc1nnc(NC(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900315418 584294334 /nfs/dbraw/zinc/29/43/34/584294334.db2.gz FCIXPZUPEOGMBB-UHFFFAOYSA-N 1 2 237.288 1.005 20 0 BDADLO CCc1nnc(NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000900315418 584294335 /nfs/dbraw/zinc/29/43/35/584294335.db2.gz FCIXPZUPEOGMBB-UHFFFAOYSA-N 1 2 237.288 1.005 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)CCF)cn2c1 ZINC000900361331 584295967 /nfs/dbraw/zinc/29/59/67/584295967.db2.gz IJBHCNCSJHXELF-UHFFFAOYSA-N 1 2 235.262 1.619 20 0 BDADLO C[C@H](CNC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900367290 584297071 /nfs/dbraw/zinc/29/70/71/584297071.db2.gz LIVXCXNXRIYKKA-SNVBAGLBSA-N 1 2 233.315 1.656 20 0 BDADLO CCC[C@@H](CC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900419406 584306937 /nfs/dbraw/zinc/30/69/37/584306937.db2.gz XIYWQZWDVLJRTR-SECBINFHSA-N 1 2 209.293 1.647 20 0 BDADLO CCC[C@@H](CC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900419406 584306938 /nfs/dbraw/zinc/30/69/38/584306938.db2.gz XIYWQZWDVLJRTR-SECBINFHSA-N 1 2 209.293 1.647 20 0 BDADLO Cc1[nH]nc(NC(=O)Cc2[nH]c[nH+]c2C)c1C ZINC000900551857 584321911 /nfs/dbraw/zinc/32/19/11/584321911.db2.gz YLOSSQHSVUKMOU-UHFFFAOYSA-N 1 2 233.275 1.239 20 0 BDADLO CC(C)(C)SCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900530638 584323001 /nfs/dbraw/zinc/32/30/01/584323001.db2.gz XXQHWUSHOULDNL-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CC(C)(C)SCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900530638 584323002 /nfs/dbraw/zinc/32/30/02/584323002.db2.gz XXQHWUSHOULDNL-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO COCc1cn(Cc2[nH+]ccn2C(F)F)nn1 ZINC000900532520 584323247 /nfs/dbraw/zinc/32/32/47/584323247.db2.gz MXYNJARWSKYYRZ-UHFFFAOYSA-N 1 2 243.217 1.064 20 0 BDADLO C/C(=C(/F)C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000900665035 584337468 /nfs/dbraw/zinc/33/74/68/584337468.db2.gz HYCQMIYGJXSLQG-YFHOEESVSA-N 1 2 223.251 1.679 20 0 BDADLO CC(=C(F)C(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000900665035 584337470 /nfs/dbraw/zinc/33/74/70/584337470.db2.gz HYCQMIYGJXSLQG-YFHOEESVSA-N 1 2 223.251 1.679 20 0 BDADLO CC[C@@H](O)[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900670871 584339572 /nfs/dbraw/zinc/33/95/72/584339572.db2.gz IMNHKEOHQHFDQR-MWLCHTKSSA-N 1 2 247.298 1.680 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900740284 584347862 /nfs/dbraw/zinc/34/78/62/584347862.db2.gz VHGHVTXBSHADPZ-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900740284 584347863 /nfs/dbraw/zinc/34/78/63/584347863.db2.gz VHGHVTXBSHADPZ-NXEZZACHSA-N 1 2 235.331 1.893 20 0 BDADLO C/C(Cl)=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000900787715 584351495 /nfs/dbraw/zinc/35/14/95/584351495.db2.gz RJVQAPHSQORLQW-QFQXNISHSA-N 1 2 241.722 1.778 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000900849467 584357139 /nfs/dbraw/zinc/35/71/39/584357139.db2.gz YUJLXBKGNXTYHO-PWSUYJOCSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000900896826 584362199 /nfs/dbraw/zinc/36/21/99/584362199.db2.gz YGOVLWWJDJGXNN-DTORHVGOSA-N 1 2 207.277 1.067 20 0 BDADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)[C@H]1C ZINC000900944554 584368623 /nfs/dbraw/zinc/36/86/23/584368623.db2.gz DBXMUGHRRFXNMY-MNOVXSKESA-N 1 2 233.315 1.750 20 0 BDADLO C[C@@H](Cc1ccncc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900968837 584369140 /nfs/dbraw/zinc/36/91/40/584369140.db2.gz YPFOCHGXNUIHLC-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO C[C@@H](Cc1ccncc1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900968837 584369141 /nfs/dbraw/zinc/36/91/41/584369141.db2.gz YPFOCHGXNUIHLC-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO CCC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900972304 584369577 /nfs/dbraw/zinc/36/95/77/584369577.db2.gz WVFMNARLZRHQNJ-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CCC1(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900972304 584369579 /nfs/dbraw/zinc/36/95/79/584369579.db2.gz WVFMNARLZRHQNJ-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000900972835 584369630 /nfs/dbraw/zinc/36/96/30/584369630.db2.gz MNZVUYUZVSJDNX-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC1(CNC(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC000900972835 584369631 /nfs/dbraw/zinc/36/96/31/584369631.db2.gz MNZVUYUZVSJDNX-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC(C)CC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000901015255 584374465 /nfs/dbraw/zinc/37/44/65/584374465.db2.gz BUZUZIRFWLSZDS-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)CC1(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901015255 584374466 /nfs/dbraw/zinc/37/44/66/584374466.db2.gz BUZUZIRFWLSZDS-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](N(C)C(=O)Cc1c[nH+]c[nH]1)C1(C)CC1 ZINC000900989386 584374643 /nfs/dbraw/zinc/37/46/43/584374643.db2.gz QMMZMKMWXQTVIS-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H](O)C(C)(C)C)[nH+]c1C ZINC000900997803 584375366 /nfs/dbraw/zinc/37/53/66/584375366.db2.gz OSTIYMNFHMXDIH-SNVBAGLBSA-N 1 2 239.319 1.050 20 0 BDADLO CC[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000901022286 584378147 /nfs/dbraw/zinc/37/81/47/584378147.db2.gz SMVXSBCDHDOJOI-ONGXEEELSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000901022286 584378148 /nfs/dbraw/zinc/37/81/48/584378148.db2.gz SMVXSBCDHDOJOI-ONGXEEELSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NC1=[NH+]CCS1 ZINC000901153690 584391683 /nfs/dbraw/zinc/39/16/83/584391683.db2.gz FIJVBPSPEPZTAT-VGMNWLOBSA-N 1 2 224.329 1.642 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901181018 584392176 /nfs/dbraw/zinc/39/21/76/584392176.db2.gz ZGKNHOMSVMVMPQ-SECBINFHSA-N 1 2 209.293 1.503 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901181018 584392179 /nfs/dbraw/zinc/39/21/79/584392179.db2.gz ZGKNHOMSVMVMPQ-SECBINFHSA-N 1 2 209.293 1.503 20 0 BDADLO CS[C@H](C)CNC(=O)CNc1cccc[nH+]1 ZINC000901177986 584396112 /nfs/dbraw/zinc/39/61/12/584396112.db2.gz JRYXITGRMRCBIS-SECBINFHSA-N 1 2 239.344 1.361 20 0 BDADLO C/C=C/[C@@H](O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000901177226 584396369 /nfs/dbraw/zinc/39/63/69/584396369.db2.gz LIPXYGVGXYATND-MVIFTORASA-N 1 2 249.314 1.332 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)N(C)CCC(C)=O ZINC000901248449 584409325 /nfs/dbraw/zinc/40/93/25/584409325.db2.gz ZVKQAKPGOWCHMD-UHFFFAOYSA-N 1 2 249.314 1.483 20 0 BDADLO C/C=C/[C@H](O)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000901302427 584419415 /nfs/dbraw/zinc/41/94/15/584419415.db2.gz XIGNVDXPTJLXFD-BMRYVVEKSA-N 1 2 235.287 1.010 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC(F)(F)C1 ZINC000901335580 584426440 /nfs/dbraw/zinc/42/64/40/584426440.db2.gz GCVLNWLMKUKFIF-UHFFFAOYSA-N 1 2 241.241 1.361 20 0 BDADLO Cc1ccc2c(c1)CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000901320221 584429931 /nfs/dbraw/zinc/42/99/31/584429931.db2.gz AQZCNFHBKDWKAI-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO Cc1ccc2c(c1)CCN2C(=O)Cc1c[nH]c[nH+]1 ZINC000901320221 584429932 /nfs/dbraw/zinc/42/99/32/584429932.db2.gz AQZCNFHBKDWKAI-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO CC[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(=O)OC ZINC000901663337 584477088 /nfs/dbraw/zinc/47/70/88/584477088.db2.gz NIKZLDNLVJWYMR-URAGZPLESA-N 1 2 241.331 1.485 20 0 BDADLO Cn1c[nH+]c(CSc2nc(CO)cs2)c1 ZINC000901694827 584482692 /nfs/dbraw/zinc/48/26/92/584482692.db2.gz CPGSRNYQIVLCBF-UHFFFAOYSA-N 1 2 241.341 1.661 20 0 BDADLO CC[C@H]([NH2+]CCc1cccnc1C)C(=O)OC ZINC000901702288 584483128 /nfs/dbraw/zinc/48/31/28/584483128.db2.gz QVKXGZJJJUQSPH-LBPRGKRZSA-N 1 2 236.315 1.474 20 0 BDADLO CC[N@H+](CCOC)CN1Cc2ccccc2C1=O ZINC000902076801 584520328 /nfs/dbraw/zinc/52/03/28/584520328.db2.gz AJRHOLNASHASMA-UHFFFAOYSA-N 1 2 248.326 1.568 20 0 BDADLO CC[N@@H+](CCOC)CN1Cc2ccccc2C1=O ZINC000902076801 584520330 /nfs/dbraw/zinc/52/03/30/584520330.db2.gz AJRHOLNASHASMA-UHFFFAOYSA-N 1 2 248.326 1.568 20 0 BDADLO C[N@H+](CC1CC1)Cn1ncc2sccc2c1=O ZINC000902065211 584522561 /nfs/dbraw/zinc/52/25/61/584522561.db2.gz FQMWRYILCBEVDG-UHFFFAOYSA-N 1 2 249.339 1.757 20 0 BDADLO C[N@@H+](CC1CC1)Cn1ncc2sccc2c1=O ZINC000902065211 584522562 /nfs/dbraw/zinc/52/25/62/584522562.db2.gz FQMWRYILCBEVDG-UHFFFAOYSA-N 1 2 249.339 1.757 20 0 BDADLO NC(=[NH+]OCCOC1CC1)c1ccccc1 ZINC000902122053 584528515 /nfs/dbraw/zinc/52/85/15/584528515.db2.gz BWFRTPMHDVPXEC-UHFFFAOYSA-N 1 2 220.272 1.712 20 0 BDADLO CCOc1cncc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000902127798 584528831 /nfs/dbraw/zinc/52/88/31/584528831.db2.gz XIQNVYSNQHYSRJ-UHFFFAOYSA-N 1 2 247.302 1.827 20 0 BDADLO NC(=[NH+]OC[C@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000902124242 584529325 /nfs/dbraw/zinc/52/93/25/584529325.db2.gz XILZKOGZBDPKKC-TZMCWYRMSA-N 1 2 246.310 1.960 20 0 BDADLO C[N@H+](CCOC(C)(C)C)CN1CCOC1=O ZINC000902187955 584533837 /nfs/dbraw/zinc/53/38/37/584533837.db2.gz HSZFRFGBSMNPIK-UHFFFAOYSA-N 1 2 230.308 1.143 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)CN1CCOC1=O ZINC000902187955 584533839 /nfs/dbraw/zinc/53/38/39/584533839.db2.gz HSZFRFGBSMNPIK-UHFFFAOYSA-N 1 2 230.308 1.143 20 0 BDADLO CO[C@@H]1CC[N@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902168690 584534594 /nfs/dbraw/zinc/53/45/94/584534594.db2.gz IAUYJPAMWQSXCC-GFCCVEGCSA-N 1 2 246.310 1.321 20 0 BDADLO CO[C@@H]1CC[N@@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902168690 584534597 /nfs/dbraw/zinc/53/45/97/584534597.db2.gz IAUYJPAMWQSXCC-GFCCVEGCSA-N 1 2 246.310 1.321 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H]1F ZINC000902212733 584536159 /nfs/dbraw/zinc/53/61/59/584536159.db2.gz IOFJSHOBBVIWKF-VPOLOUISSA-N 1 2 226.295 1.102 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C[C@H]1F ZINC000902212733 584536157 /nfs/dbraw/zinc/53/61/57/584536157.db2.gz IOFJSHOBBVIWKF-VPOLOUISSA-N 1 2 226.295 1.102 20 0 BDADLO CCn1cc(CNc2cc(C)[nH+]cn2)c(C)n1 ZINC000902193975 584536491 /nfs/dbraw/zinc/53/64/91/584536491.db2.gz FPLLICKIANEWRR-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO Cc1cc(NCc2cnc(Cl)n2C)nc[nH+]1 ZINC000902195631 584536503 /nfs/dbraw/zinc/53/65/03/584536503.db2.gz NWJJESQFFLNWDH-UHFFFAOYSA-N 1 2 237.694 1.784 20 0 BDADLO CCn1cnc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000902333245 584563782 /nfs/dbraw/zinc/56/37/82/584563782.db2.gz JFXWTKVOSFHBTD-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnc(F)c2)C[C@H](C)O1 ZINC000859056800 588995038 /nfs/dbraw/zinc/99/50/38/588995038.db2.gz ZYYDCZBDRHCYPW-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnc(F)c2)C[C@H](C)O1 ZINC000859056800 588995039 /nfs/dbraw/zinc/99/50/39/588995039.db2.gz ZYYDCZBDRHCYPW-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO CN(C)c1ccc(Cn2cnc(Cl)n2)c[nH+]1 ZINC000902399786 584586240 /nfs/dbraw/zinc/58/62/40/584586240.db2.gz GYOCPIIZHXITAX-UHFFFAOYSA-N 1 2 237.694 1.441 20 0 BDADLO CNc1ccc(C)cc1C[NH2+]Cc1ncn(C)n1 ZINC000902444357 584598971 /nfs/dbraw/zinc/59/89/71/584598971.db2.gz HCWVOBVGEKEREQ-UHFFFAOYSA-N 1 2 245.330 1.455 20 0 BDADLO CC[N@H+](CCOC)Cc1cnns1 ZINC000859089849 588999873 /nfs/dbraw/zinc/99/98/73/588999873.db2.gz DLDZWUMPKMVHCE-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO CC[N@@H+](CCOC)Cc1cnns1 ZINC000859089849 588999875 /nfs/dbraw/zinc/99/98/75/588999875.db2.gz DLDZWUMPKMVHCE-UHFFFAOYSA-N 1 2 201.295 1.006 20 0 BDADLO Cc1nn(Cc2c[nH+]ccc2C)cc1CO ZINC000902498204 584619274 /nfs/dbraw/zinc/61/92/74/584619274.db2.gz XDVJWHYFOMBEPD-UHFFFAOYSA-N 1 2 217.272 1.436 20 0 BDADLO C[C@H]1C[C@@H](NCc2csc(N)n2)c2[nH+]ccn21 ZINC000902499215 584619940 /nfs/dbraw/zinc/61/99/40/584619940.db2.gz IGPCTDHROLVRFO-IONNQARKSA-N 1 2 249.343 1.717 20 0 BDADLO CCO[C@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000902527168 584632578 /nfs/dbraw/zinc/63/25/78/584632578.db2.gz FBAKVEXPVIAOHD-JTQLQIEISA-N 1 2 229.711 1.605 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000902527168 584632579 /nfs/dbraw/zinc/63/25/79/584632579.db2.gz FBAKVEXPVIAOHD-JTQLQIEISA-N 1 2 229.711 1.605 20 0 BDADLO CCc1c(C)on(Cc2ccc[nH+]c2N)c1=O ZINC000902579175 584638132 /nfs/dbraw/zinc/63/81/32/584638132.db2.gz ITQIEFWIQWHATJ-UHFFFAOYSA-N 1 2 233.271 1.338 20 0 BDADLO CO[C@H](C)CO[NH+]=C(N)Cc1ccccc1F ZINC000902622315 584645336 /nfs/dbraw/zinc/64/53/36/584645336.db2.gz DIOJQAFSNKFVTH-SECBINFHSA-N 1 2 240.278 1.902 20 0 BDADLO CCC1(CC)CCN(C[N@@H+]2CC[C@H]2CO)C1=O ZINC000902634928 584648466 /nfs/dbraw/zinc/64/84/66/584648466.db2.gz WFQDALXHEMUSFF-NSHDSACASA-N 1 2 240.347 1.049 20 0 BDADLO CCC1(CC)CCN(C[N@H+]2CC[C@H]2CO)C1=O ZINC000902634928 584648468 /nfs/dbraw/zinc/64/84/68/584648468.db2.gz WFQDALXHEMUSFF-NSHDSACASA-N 1 2 240.347 1.049 20 0 BDADLO OCCOCCOc1ccc2c[nH+]ccc2c1 ZINC000902638637 584648832 /nfs/dbraw/zinc/64/88/32/584648832.db2.gz QFQVLACFSJMBLJ-UHFFFAOYSA-N 1 2 233.267 1.623 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1cccnc1=S ZINC000902640253 584648964 /nfs/dbraw/zinc/64/89/64/584648964.db2.gz WPYQBHWWKIMWFU-NXEZZACHSA-N 1 2 239.344 1.679 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1cccnc1=S ZINC000902640253 584648965 /nfs/dbraw/zinc/64/89/65/584648965.db2.gz WPYQBHWWKIMWFU-NXEZZACHSA-N 1 2 239.344 1.679 20 0 BDADLO CCn1c[nH+]c(CNc2nncn2C2CC2)c1 ZINC000902658016 584650458 /nfs/dbraw/zinc/65/04/58/584650458.db2.gz NIGAPXHWYDZMJS-UHFFFAOYSA-N 1 2 232.291 1.442 20 0 BDADLO CCc1onc(C)c1CO[NH+]=C(N)[C@@H](C)OC ZINC000902717986 584657761 /nfs/dbraw/zinc/65/77/61/584657761.db2.gz XMQCTJUKBCVWRO-MRVPVSSYSA-N 1 2 241.291 1.579 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)[C@@H](C)OC ZINC000902717485 584657770 /nfs/dbraw/zinc/65/77/70/584657770.db2.gz PUYWABRATOFVOI-WHXYTISESA-N 1 2 216.281 1.112 20 0 BDADLO CC1CC(CO[NH+]=C(N)[C@@H]2CCCO2)C1 ZINC000902739504 584663294 /nfs/dbraw/zinc/66/32/94/584663294.db2.gz PMMVJJAKJGILHL-RTBKNWGFSA-N 1 2 212.293 1.710 20 0 BDADLO CN(C)C(=O)COc1ccc2c(c1)[nH+]cn2C ZINC000902781485 584670293 /nfs/dbraw/zinc/67/02/93/584670293.db2.gz WCIAQCXSASTMHF-UHFFFAOYSA-N 1 2 233.271 1.040 20 0 BDADLO CN(C)c1ccc(COc2cncnc2)c[nH+]1 ZINC000902904902 584694751 /nfs/dbraw/zinc/69/47/51/584694751.db2.gz JHMOQUBJRKOMID-UHFFFAOYSA-N 1 2 230.271 1.517 20 0 BDADLO Cc1cc(CNC(=O)OC2COC2)cc(C)[nH+]1 ZINC000902947339 584703590 /nfs/dbraw/zinc/70/35/90/584703590.db2.gz IVQHVEKYNVCXKO-UHFFFAOYSA-N 1 2 236.271 1.323 20 0 BDADLO COc1ncc(C[N@@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC000902994897 584712248 /nfs/dbraw/zinc/71/22/48/584712248.db2.gz KFIIRIYSSIEYNP-LLVKDONJSA-N 1 2 239.294 1.728 20 0 BDADLO COc1ncc(C[N@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC000902994897 584712249 /nfs/dbraw/zinc/71/22/49/584712249.db2.gz KFIIRIYSSIEYNP-LLVKDONJSA-N 1 2 239.294 1.728 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000654 584715648 /nfs/dbraw/zinc/71/56/48/584715648.db2.gz ICWFFYUCFWIFIC-NWDGAFQWSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000654 584715649 /nfs/dbraw/zinc/71/56/49/584715649.db2.gz ICWFFYUCFWIFIC-NWDGAFQWSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903000422 584715692 /nfs/dbraw/zinc/71/56/92/584715692.db2.gz GBEKCTYFUHRFIX-SECBINFHSA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903000422 584715693 /nfs/dbraw/zinc/71/56/93/584715693.db2.gz GBEKCTYFUHRFIX-SECBINFHSA-N 1 2 216.300 1.335 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](F)C1)NC1CCCC1 ZINC000903004032 584717056 /nfs/dbraw/zinc/71/70/56/584717056.db2.gz YFCBCWXWCQZUDA-SNVBAGLBSA-N 1 2 228.311 1.479 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](F)C1)NC1CCCC1 ZINC000903004032 584717058 /nfs/dbraw/zinc/71/70/58/584717058.db2.gz YFCBCWXWCQZUDA-SNVBAGLBSA-N 1 2 228.311 1.479 20 0 BDADLO C[C@H]([NH2+]C/C=C\Cl)c1cc(CO)on1 ZINC000903446516 584770031 /nfs/dbraw/zinc/77/00/31/584770031.db2.gz YIKAGQWZDOEPAT-XDVGHUOJSA-N 1 2 216.668 1.570 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]C/C=C/Cl ZINC000903446587 584770067 /nfs/dbraw/zinc/77/00/67/584770067.db2.gz ZEDOXSACLOGXBP-YUDCMIJISA-N 1 2 201.657 1.781 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Oc1cnn(C)c1 ZINC000904021801 584836886 /nfs/dbraw/zinc/83/68/86/584836886.db2.gz CTQVPLYRVISQCW-LLVKDONJSA-N 1 2 237.303 1.198 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Oc1cnn(C)c1 ZINC000904021801 584836887 /nfs/dbraw/zinc/83/68/87/584836887.db2.gz CTQVPLYRVISQCW-LLVKDONJSA-N 1 2 237.303 1.198 20 0 BDADLO COCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904271800 584858541 /nfs/dbraw/zinc/85/85/41/584858541.db2.gz ADKVKBGBZRKHPW-UHFFFAOYSA-N 1 2 234.259 1.211 20 0 BDADLO CSCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272417 584858577 /nfs/dbraw/zinc/85/85/77/584858577.db2.gz QOUSNRLHUUQSBC-UHFFFAOYSA-N 1 2 236.300 1.885 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(C2(C)COC2)n1 ZINC000904269801 584858706 /nfs/dbraw/zinc/85/87/06/584858706.db2.gz SNGFXVIOQHBNCM-UHFFFAOYSA-N 1 2 246.270 1.310 20 0 BDADLO CCOCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257389 584859186 /nfs/dbraw/zinc/85/91/86/584859186.db2.gz WNVUQZQQJREJBF-UHFFFAOYSA-N 1 2 234.259 1.559 20 0 BDADLO C[N@@H+]1CCO[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000904324845 584865574 /nfs/dbraw/zinc/86/55/74/584865574.db2.gz SZPFUGOQNQWZHR-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[N@H+]1CCO[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000904324845 584865575 /nfs/dbraw/zinc/86/55/75/584865575.db2.gz SZPFUGOQNQWZHR-SNVBAGLBSA-N 1 2 246.270 1.135 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)[C@H](C)[C@@H](C)O1 ZINC000904345905 584868218 /nfs/dbraw/zinc/86/82/18/584868218.db2.gz LLQLLUQVAJPWSE-OPRDCNLKSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)[C@H](C)[C@@H](C)O1 ZINC000904345905 584868220 /nfs/dbraw/zinc/86/82/20/584868220.db2.gz LLQLLUQVAJPWSE-OPRDCNLKSA-N 1 2 236.319 1.057 20 0 BDADLO Cc1cc(NCc2ccc(N)nn2)c[nH+]c1C ZINC000904386273 584877715 /nfs/dbraw/zinc/87/77/15/584877715.db2.gz VHDPIRBTZIEPEM-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CNOC1 ZINC000904426781 584881508 /nfs/dbraw/zinc/88/15/08/584881508.db2.gz ILXSWCTVQMJAMW-NSHDSACASA-N 1 2 245.282 1.335 20 0 BDADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000828529861 584903590 /nfs/dbraw/zinc/90/35/90/584903590.db2.gz WNSVMCBCLXWIRV-ZETCQYMHSA-N 1 2 219.210 1.794 20 0 BDADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000828529861 584903591 /nfs/dbraw/zinc/90/35/91/584903591.db2.gz WNSVMCBCLXWIRV-ZETCQYMHSA-N 1 2 219.210 1.794 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761080490 584908984 /nfs/dbraw/zinc/90/89/84/584908984.db2.gz DKGLNSREOZEFBK-SFYZADRCSA-N 1 2 211.696 1.668 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761080490 584908985 /nfs/dbraw/zinc/90/89/85/584908985.db2.gz DKGLNSREOZEFBK-SFYZADRCSA-N 1 2 211.696 1.668 20 0 BDADLO c1ccc(-n2nnnc2C[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761085820 584909282 /nfs/dbraw/zinc/90/92/82/584909282.db2.gz CXRPMYIYCDVXKB-CMPLNLGQSA-N 1 2 241.298 1.257 20 0 BDADLO c1ccc(-n2nnnc2C[N@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761085820 584909283 /nfs/dbraw/zinc/90/92/83/584909283.db2.gz CXRPMYIYCDVXKB-CMPLNLGQSA-N 1 2 241.298 1.257 20 0 BDADLO C[N@H+](CC(=O)OCc1ccccc1)C1CC1 ZINC000731030323 584921579 /nfs/dbraw/zinc/92/15/79/584921579.db2.gz DTYUVJUXWNLUJY-UHFFFAOYSA-N 1 2 219.284 1.824 20 0 BDADLO C[N@@H+](CC(=O)OCc1ccccc1)C1CC1 ZINC000731030323 584921580 /nfs/dbraw/zinc/92/15/80/584921580.db2.gz DTYUVJUXWNLUJY-UHFFFAOYSA-N 1 2 219.284 1.824 20 0 BDADLO COC(=O)c1ccc(/C=C/c2[nH]cc[nH+]2)nc1 ZINC000731156473 584922692 /nfs/dbraw/zinc/92/26/92/584922692.db2.gz GCZURNWKMHOWFJ-SNAWJCMRSA-N 1 2 229.239 1.762 20 0 BDADLO c1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)on1 ZINC000731850094 584929477 /nfs/dbraw/zinc/92/94/77/584929477.db2.gz ODTAAUSOIJVRLZ-NSHDSACASA-N 1 2 238.287 1.402 20 0 BDADLO c1cc(C[N@H+]2CCCC[C@H]2C2OCCO2)on1 ZINC000731850094 584929478 /nfs/dbraw/zinc/92/94/78/584929478.db2.gz ODTAAUSOIJVRLZ-NSHDSACASA-N 1 2 238.287 1.402 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)Cc1ccno1 ZINC000731849157 584929637 /nfs/dbraw/zinc/92/96/37/584929637.db2.gz SUMUYMFWFROUOA-UHFFFAOYSA-N 1 2 221.260 1.911 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccno1 ZINC000731849157 584929638 /nfs/dbraw/zinc/92/96/38/584929638.db2.gz SUMUYMFWFROUOA-UHFFFAOYSA-N 1 2 221.260 1.911 20 0 BDADLO CCN(CC)C(=O)CNc1cc[nH+]c(C2CC2)n1 ZINC000731988370 584932672 /nfs/dbraw/zinc/93/26/72/584932672.db2.gz QYAZEDROJPWFKZ-UHFFFAOYSA-N 1 2 248.330 1.634 20 0 BDADLO CC(C)c1nccc(-n2c[nH+]c(CCCO)c2)n1 ZINC000732042651 584932926 /nfs/dbraw/zinc/93/29/26/584932926.db2.gz JSFSHFZULIWSOV-UHFFFAOYSA-N 1 2 246.314 1.711 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000837676340 584938542 /nfs/dbraw/zinc/93/85/42/584938542.db2.gz MQSMLRNCUFMERV-MWLCHTKSSA-N 1 2 233.315 1.880 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1scnc1Cl ZINC000733955601 584955350 /nfs/dbraw/zinc/95/53/50/584955350.db2.gz LDGYURZKPFQMMF-UHFFFAOYSA-N 1 2 242.691 1.450 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1=COCCC1 ZINC000733968049 584955960 /nfs/dbraw/zinc/95/59/60/584955960.db2.gz OQIWPMOGSKLNJS-UHFFFAOYSA-N 1 2 243.266 1.967 20 0 BDADLO COC1C[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000733996732 584956187 /nfs/dbraw/zinc/95/61/87/584956187.db2.gz VRTAJIRJDDHDTJ-UHFFFAOYSA-N 1 2 234.299 1.476 20 0 BDADLO CCOCC[N@H+](CC)Cc1nonc1C ZINC000734148995 584957832 /nfs/dbraw/zinc/95/78/32/584957832.db2.gz SSJAESZXXUETJA-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nonc1C ZINC000734148995 584957833 /nfs/dbraw/zinc/95/78/33/584957833.db2.gz SSJAESZXXUETJA-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO C[N@H+](CCc1ccccc1F)Cc1cnn[nH]1 ZINC000734747614 584967625 /nfs/dbraw/zinc/96/76/25/584967625.db2.gz MYFODTGHAOJBBF-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1ccccc1F)Cc1cnn[nH]1 ZINC000734747614 584967626 /nfs/dbraw/zinc/96/76/26/584967626.db2.gz MYFODTGHAOJBBF-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@H+](CCc1ccccc1F)Cc1c[nH]nn1 ZINC000734747614 584967627 /nfs/dbraw/zinc/96/76/27/584967627.db2.gz MYFODTGHAOJBBF-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1ccccc1F)Cc1c[nH]nn1 ZINC000734747614 584967628 /nfs/dbraw/zinc/96/76/28/584967628.db2.gz MYFODTGHAOJBBF-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@H+](CCc1ccccc1F)Cc1cn[nH]n1 ZINC000734747614 584967629 /nfs/dbraw/zinc/96/76/29/584967629.db2.gz MYFODTGHAOJBBF-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO C[N@@H+](CCc1ccccc1F)Cc1cn[nH]n1 ZINC000734747614 584967630 /nfs/dbraw/zinc/96/76/30/584967630.db2.gz MYFODTGHAOJBBF-UHFFFAOYSA-N 1 2 234.278 1.618 20 0 BDADLO CCC/C=C\C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819765515 585006063 /nfs/dbraw/zinc/00/60/63/585006063.db2.gz CGXBOFPVBJMCSN-RPSMYOMKSA-N 1 2 212.318 1.950 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000821261741 585015630 /nfs/dbraw/zinc/01/56/30/585015630.db2.gz ROMOZYAUNFUQOW-ZWNOBZJWSA-N 1 2 218.300 1.965 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000821261741 585015631 /nfs/dbraw/zinc/01/56/31/585015631.db2.gz ROMOZYAUNFUQOW-ZWNOBZJWSA-N 1 2 218.300 1.965 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2=CCCCCC2)c1 ZINC000890108391 585023723 /nfs/dbraw/zinc/02/37/23/585023723.db2.gz YUYUGTGQCOMARK-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO CCOC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000756485218 585028102 /nfs/dbraw/zinc/02/81/02/585028102.db2.gz AAKLSYDAROPWEK-UHFFFAOYSA-N 1 2 235.331 1.786 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788083673 585030945 /nfs/dbraw/zinc/03/09/45/585030945.db2.gz LYMDJAHQOYOILJ-UTLUCORTSA-N 1 2 215.268 1.229 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788083673 585030946 /nfs/dbraw/zinc/03/09/46/585030946.db2.gz LYMDJAHQOYOILJ-UTLUCORTSA-N 1 2 215.268 1.229 20 0 BDADLO C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522926 585035043 /nfs/dbraw/zinc/03/50/43/585035043.db2.gz REBNASDCCHHDKI-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC(=O)[O-] ZINC000737522926 585035044 /nfs/dbraw/zinc/03/50/44/585035044.db2.gz REBNASDCCHHDKI-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCC(=O)[O-] ZINC000737522926 585035045 /nfs/dbraw/zinc/03/50/45/585035045.db2.gz REBNASDCCHHDKI-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000737522926 585035046 /nfs/dbraw/zinc/03/50/46/585035046.db2.gz REBNASDCCHHDKI-NEPJUHHUSA-N 1 2 240.347 1.410 20 0 BDADLO C/C=C\C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000737837153 585038532 /nfs/dbraw/zinc/03/85/32/585038532.db2.gz JXZPHCKEYVFVFV-CJHWANRJSA-N 1 2 219.288 1.623 20 0 BDADLO CC[C@@](C)(CO)C(=O)OCc1cc[nH+]c(N)c1 ZINC000838210400 585048373 /nfs/dbraw/zinc/04/83/73/585048373.db2.gz TUQDJMWCWWIYQA-LBPRGKRZSA-N 1 2 238.287 1.116 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000838657433 585063937 /nfs/dbraw/zinc/06/39/37/585063937.db2.gz VYGZQDUBIBQOCF-MNOVXSKESA-N 1 2 248.330 1.597 20 0 BDADLO CC(C)(NC(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000838635306 585064201 /nfs/dbraw/zinc/06/42/01/585064201.db2.gz RBFHEAJYPNRWBR-JTQLQIEISA-N 1 2 248.330 1.816 20 0 BDADLO O[C@@H](C[N@@H+]1CCOC[C@@H]1c1ccco1)C1CC1 ZINC000838847756 585074611 /nfs/dbraw/zinc/07/46/11/585074611.db2.gz BXYWUKBWGRRFPU-NEPJUHHUSA-N 1 2 237.299 1.424 20 0 BDADLO O[C@@H](C[N@H+]1CCOC[C@@H]1c1ccco1)C1CC1 ZINC000838847756 585074612 /nfs/dbraw/zinc/07/46/12/585074612.db2.gz BXYWUKBWGRRFPU-NEPJUHHUSA-N 1 2 237.299 1.424 20 0 BDADLO CCn1ncc(CNc2ccc(N(C)C)[nH+]c2)n1 ZINC000838888262 585078465 /nfs/dbraw/zinc/07/84/65/585078465.db2.gz DJDHKTFSHUFEIX-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2ccoc2)n1 ZINC000838976814 585083552 /nfs/dbraw/zinc/08/35/52/585083552.db2.gz INZYLURXMGYGKT-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CC(C)OC1CC([N@@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000838981884 585084468 /nfs/dbraw/zinc/08/44/68/585084468.db2.gz JNQKFCZYYMXVEB-VQXHTEKXSA-N 1 2 249.301 1.908 20 0 BDADLO CC(C)OC1CC([N@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000838981884 585084469 /nfs/dbraw/zinc/08/44/69/585084469.db2.gz JNQKFCZYYMXVEB-VQXHTEKXSA-N 1 2 249.301 1.908 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)n1 ZINC000839032109 585088593 /nfs/dbraw/zinc/08/85/93/585088593.db2.gz YSLGCFTZHABBLG-PWSUYJOCSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)n1 ZINC000839032109 585088594 /nfs/dbraw/zinc/08/85/94/585088594.db2.gz YSLGCFTZHABBLG-PWSUYJOCSA-N 1 2 238.335 1.155 20 0 BDADLO Cn1ncc(C[NH+]2CC3(C2)CCCCC3)n1 ZINC000839133184 585094012 /nfs/dbraw/zinc/09/40/12/585094012.db2.gz WSUMJKKNDFOBCH-UHFFFAOYSA-N 1 2 220.320 1.581 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccn2C)C1 ZINC000839132137 585094067 /nfs/dbraw/zinc/09/40/67/585094067.db2.gz AFVJKIDWEQAEQK-UHFFFAOYSA-N 1 2 208.305 1.228 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(C)(CC)C2)n1 ZINC000839143598 585094797 /nfs/dbraw/zinc/09/47/97/585094797.db2.gz QSGJTJWRFAJFGL-UHFFFAOYSA-N 1 2 222.336 1.838 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201489 585099528 /nfs/dbraw/zinc/09/95/28/585099528.db2.gz MAKMJFYJMHASKZ-DCAQKATOSA-N 1 2 243.372 1.908 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201489 585099529 /nfs/dbraw/zinc/09/95/29/585099529.db2.gz MAKMJFYJMHASKZ-DCAQKATOSA-N 1 2 243.372 1.908 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ncccn1 ZINC000740742184 585106167 /nfs/dbraw/zinc/10/61/67/585106167.db2.gz BGANXWJFPUDWHA-UHFFFAOYSA-N 1 2 230.227 1.133 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(C)=O ZINC000741148035 585110793 /nfs/dbraw/zinc/11/07/93/585110793.db2.gz GPZVUGUVHFNBEZ-MNOVXSKESA-N 1 2 227.304 1.382 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(C)=O ZINC000741148035 585110794 /nfs/dbraw/zinc/11/07/94/585110794.db2.gz GPZVUGUVHFNBEZ-MNOVXSKESA-N 1 2 227.304 1.382 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@H]1CCOC1 ZINC000741785158 585118897 /nfs/dbraw/zinc/11/88/97/585118897.db2.gz NUCIRJWCJXRPMB-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@H]1CCOC1 ZINC000741785158 585118898 /nfs/dbraw/zinc/11/88/98/585118898.db2.gz NUCIRJWCJXRPMB-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](O)c1ccccc1C ZINC000741807226 585119882 /nfs/dbraw/zinc/11/98/82/585119882.db2.gz XNEMKTJIEIVQMO-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1C ZINC000741807226 585119883 /nfs/dbraw/zinc/11/98/83/585119883.db2.gz XNEMKTJIEIVQMO-LBPRGKRZSA-N 1 2 237.299 1.133 20 0 BDADLO CSCCCO[NH+]=C(N)COC(C)C ZINC000742357163 585124681 /nfs/dbraw/zinc/12/46/81/585124681.db2.gz PCOFIAMESQBYJT-UHFFFAOYSA-N 1 2 220.338 1.663 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@H]1CC1(Cl)Cl ZINC000743273031 585134568 /nfs/dbraw/zinc/13/45/68/585134568.db2.gz MSECQKQVHMFNJY-SSDOTTSWSA-N 1 2 240.130 1.675 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@H]1CC1(Cl)Cl ZINC000743273031 585134569 /nfs/dbraw/zinc/13/45/69/585134569.db2.gz MSECQKQVHMFNJY-SSDOTTSWSA-N 1 2 240.130 1.675 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000789299950 585141887 /nfs/dbraw/zinc/14/18/87/585141887.db2.gz GBGMWBWQKCRHMR-ZJUUUORDSA-N 1 2 206.293 1.453 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000789299950 585141888 /nfs/dbraw/zinc/14/18/88/585141888.db2.gz GBGMWBWQKCRHMR-ZJUUUORDSA-N 1 2 206.293 1.453 20 0 BDADLO Cc1nonc1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000744423546 585150465 /nfs/dbraw/zinc/15/04/65/585150465.db2.gz JYYFPCCLGHYEFD-LLVKDONJSA-N 1 2 241.360 1.951 20 0 BDADLO Cc1nonc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000744423546 585150466 /nfs/dbraw/zinc/15/04/66/585150466.db2.gz JYYFPCCLGHYEFD-LLVKDONJSA-N 1 2 241.360 1.951 20 0 BDADLO CC(C)CCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746470643 585168174 /nfs/dbraw/zinc/16/81/74/585168174.db2.gz SMBVRUYJFUSGDO-MRXNPFEDSA-N 1 2 246.420 1.029 20 0 BDADLO CCC1(O)CC[NH+](Cn2ccsc2=O)CC1 ZINC000746613872 585171007 /nfs/dbraw/zinc/17/10/07/585171007.db2.gz HLQNUNONBAFHIJ-UHFFFAOYSA-N 1 2 242.344 1.104 20 0 BDADLO CCCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000789613029 585177367 /nfs/dbraw/zinc/17/73/67/585177367.db2.gz WIAZPNLYKWPXKJ-SECBINFHSA-N 1 2 200.282 1.854 20 0 BDADLO CC[C@H](SC)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000747590556 585181022 /nfs/dbraw/zinc/18/10/22/585181022.db2.gz LKMKQTWKHCWMBM-UWVGGRQHSA-N 1 2 230.377 1.291 20 0 BDADLO CC[C@H](SC)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000747590556 585181023 /nfs/dbraw/zinc/18/10/23/585181023.db2.gz LKMKQTWKHCWMBM-UWVGGRQHSA-N 1 2 230.377 1.291 20 0 BDADLO [O-]C1=C[NH+]=C(N[NH2+]CCCOc2ccccc2)C1 ZINC000747631260 585181407 /nfs/dbraw/zinc/18/14/07/585181407.db2.gz GOJKWVKRUXNFPZ-UHFFFAOYSA-N 1 2 247.298 1.404 20 0 BDADLO Cc1ccoc1C(=O)OCc1c[nH+]cn1C ZINC000747783901 585184359 /nfs/dbraw/zinc/18/43/59/585184359.db2.gz QJMHLGPKQMXVNT-UHFFFAOYSA-N 1 2 220.228 1.679 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C1CC=CC1 ZINC000789790777 585200575 /nfs/dbraw/zinc/20/05/75/585200575.db2.gz AZDYLAVNUMPBBV-UHFFFAOYSA-N 1 2 234.299 1.862 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cccc(F)n2)c[nH+]1 ZINC000749297059 585201069 /nfs/dbraw/zinc/20/10/69/585201069.db2.gz KAXDOWNMGYWVDV-UHFFFAOYSA-N 1 2 234.234 1.182 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnnn2C)Cc2ccccc21 ZINC000749898691 585208031 /nfs/dbraw/zinc/20/80/31/585208031.db2.gz HLAGKDJGTBPHLD-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnnn2C)Cc2ccccc21 ZINC000749898691 585208032 /nfs/dbraw/zinc/20/80/32/585208032.db2.gz HLAGKDJGTBPHLD-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO COC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCSC ZINC000886945989 585223363 /nfs/dbraw/zinc/22/33/63/585223363.db2.gz FPXROHAKBHOBMZ-VHSXEESVSA-N 1 2 247.360 1.050 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)CCn1cc[nH+]c1 ZINC000751322579 585226889 /nfs/dbraw/zinc/22/68/89/585226889.db2.gz FIAIIKDNFPFUBY-NSHDSACASA-N 1 2 247.298 1.614 20 0 BDADLO C/C=C\C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751425346 585230108 /nfs/dbraw/zinc/23/01/08/585230108.db2.gz KPOWTIBJNAMAFZ-IHWYPQMZSA-N 1 2 219.288 1.692 20 0 BDADLO C/C=C\C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751425346 585230109 /nfs/dbraw/zinc/23/01/09/585230109.db2.gz KPOWTIBJNAMAFZ-IHWYPQMZSA-N 1 2 219.288 1.692 20 0 BDADLO c1nc(C2CC[NH+](Cc3cccnc3)CC2)n[nH]1 ZINC000751500229 585231414 /nfs/dbraw/zinc/23/14/14/585231414.db2.gz VTJOAHQVRIQDSL-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO CCCc1cc(C(=O)OCc2c[nH+]cn2C)n[nH]1 ZINC000753147455 585254447 /nfs/dbraw/zinc/25/44/47/585254447.db2.gz PTHWYGUGQHCCPX-UHFFFAOYSA-N 1 2 248.286 1.453 20 0 BDADLO CCON(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000753401291 585258153 /nfs/dbraw/zinc/25/81/53/585258153.db2.gz UNODBWMTZANNQI-UHFFFAOYSA-N 1 2 240.307 1.256 20 0 BDADLO CCC(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000753770567 585268360 /nfs/dbraw/zinc/26/83/60/585268360.db2.gz KFGWVNGPAWRQRT-NXEZZACHSA-N 1 2 231.361 1.197 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000753834900 585270792 /nfs/dbraw/zinc/27/07/92/585270792.db2.gz XRASMBDRBJMCNX-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000753834900 585270793 /nfs/dbraw/zinc/27/07/93/585270793.db2.gz XRASMBDRBJMCNX-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC1(Cl)Cl ZINC000754301175 585282230 /nfs/dbraw/zinc/28/22/30/585282230.db2.gz BNXUNGWLZWLHLK-LURJTMIESA-N 1 2 234.086 1.220 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC1(Cl)Cl ZINC000754301175 585282231 /nfs/dbraw/zinc/28/22/31/585282231.db2.gz BNXUNGWLZWLHLK-LURJTMIESA-N 1 2 234.086 1.220 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000754385413 585283762 /nfs/dbraw/zinc/28/37/62/585283762.db2.gz MAGACSMYLIMTCU-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000754385413 585283763 /nfs/dbraw/zinc/28/37/63/585283763.db2.gz MAGACSMYLIMTCU-VIFPVBQESA-N 1 2 237.303 1.415 20 0 BDADLO CC(C)SCC(=O)OCc1c[nH+]cn1C ZINC000754682920 585289115 /nfs/dbraw/zinc/28/91/15/585289115.db2.gz FGGFMBDPVIISPK-UHFFFAOYSA-N 1 2 228.317 1.605 20 0 BDADLO CCC1(C(=O)Nc2ccc[nH+]c2N(C)C)COC1 ZINC000755205247 585296226 /nfs/dbraw/zinc/29/62/26/585296226.db2.gz PFOJCBNVSXRXFC-UHFFFAOYSA-N 1 2 249.314 1.513 20 0 BDADLO CN(C)c1cc(COC(=O)C(C)(C)F)cc[nH+]1 ZINC000755894746 585309463 /nfs/dbraw/zinc/30/94/63/585309463.db2.gz MBUUUCYAOOJVJV-UHFFFAOYSA-N 1 2 240.278 1.939 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000756623435 585321848 /nfs/dbraw/zinc/32/18/48/585321848.db2.gz XYXWUEJEYIOWGR-UHFFFAOYSA-N 1 2 249.314 1.313 20 0 BDADLO CC1(C)CC[C@@H](C[NH2+][C@]2(C)CCOC2=O)O1 ZINC000839606386 585331841 /nfs/dbraw/zinc/33/18/41/585331841.db2.gz PCNDTTRJFQWIKP-JOYOIKCWSA-N 1 2 227.304 1.239 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@H+](C/C=C/Cl)C2)n1 ZINC000839657717 585333830 /nfs/dbraw/zinc/33/38/30/585333830.db2.gz BBBHCUKCBSXRLB-LXOKAJLYSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1n[nH]c([C@H]2CC[N@@H+](C/C=C/Cl)C2)n1 ZINC000839657717 585333831 /nfs/dbraw/zinc/33/38/31/585333831.db2.gz BBBHCUKCBSXRLB-LXOKAJLYSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](C/C=C/Cl)C2)n[nH]1 ZINC000839657717 585333832 /nfs/dbraw/zinc/33/38/32/585333832.db2.gz BBBHCUKCBSXRLB-LXOKAJLYSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](C/C=C/Cl)C2)n[nH]1 ZINC000839657717 585333833 /nfs/dbraw/zinc/33/38/33/585333833.db2.gz BBBHCUKCBSXRLB-LXOKAJLYSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@H+](C/C=C/Cl)C2)n1 ZINC000839657716 585333977 /nfs/dbraw/zinc/33/39/77/585333977.db2.gz BBBHCUKCBSXRLB-HDMKULJXSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@@H+](C/C=C/Cl)C2)n1 ZINC000839657716 585333978 /nfs/dbraw/zinc/33/39/78/585333978.db2.gz BBBHCUKCBSXRLB-HDMKULJXSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](C/C=C/Cl)C2)n[nH]1 ZINC000839657716 585333979 /nfs/dbraw/zinc/33/39/79/585333979.db2.gz BBBHCUKCBSXRLB-HDMKULJXSA-N 1 2 226.711 1.655 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](C/C=C/Cl)C2)n[nH]1 ZINC000839657716 585333980 /nfs/dbraw/zinc/33/39/80/585333980.db2.gz BBBHCUKCBSXRLB-HDMKULJXSA-N 1 2 226.711 1.655 20 0 BDADLO CCN1CC[N@H+](Cc2cc(C)oc2C)CC1=O ZINC000758014110 585348299 /nfs/dbraw/zinc/34/82/99/585348299.db2.gz CEWWRMHROVODNU-UHFFFAOYSA-N 1 2 236.315 1.561 20 0 BDADLO CCN1CC[N@@H+](Cc2cc(C)oc2C)CC1=O ZINC000758014110 585348300 /nfs/dbraw/zinc/34/83/00/585348300.db2.gz CEWWRMHROVODNU-UHFFFAOYSA-N 1 2 236.315 1.561 20 0 BDADLO C[C@H]1CCC[C@@H]([N@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300744 585353281 /nfs/dbraw/zinc/35/32/81/585353281.db2.gz PFVZMBIWRQSJGT-WDEREUQCSA-N 1 2 238.335 1.050 20 0 BDADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cn2ncn(C)c2=O)C1 ZINC000758300744 585353282 /nfs/dbraw/zinc/35/32/82/585353282.db2.gz PFVZMBIWRQSJGT-WDEREUQCSA-N 1 2 238.335 1.050 20 0 BDADLO CO[C@@H]1CC[N@H+](Cn2cc(C)cnc2=S)C1 ZINC000758354430 585354393 /nfs/dbraw/zinc/35/43/93/585354393.db2.gz HNDJUVXGVTZCCY-SNVBAGLBSA-N 1 2 239.344 1.599 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cn2cc(C)cnc2=S)C1 ZINC000758354430 585354394 /nfs/dbraw/zinc/35/43/94/585354394.db2.gz HNDJUVXGVTZCCY-SNVBAGLBSA-N 1 2 239.344 1.599 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC[C@H]1CCCCO1 ZINC000758763687 585359752 /nfs/dbraw/zinc/35/97/52/585359752.db2.gz OWTIIXBXDBFQQD-VHSXEESVSA-N 1 2 230.308 1.479 20 0 BDADLO C[C@@H]1C[NH+]=C(N2CCN(CCF)CC2)S1 ZINC000759348021 585370430 /nfs/dbraw/zinc/37/04/30/585370430.db2.gz XJVAWCXVFAQEAJ-SECBINFHSA-N 1 2 231.340 1.065 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCC1OCCCO1 ZINC000760434739 585392696 /nfs/dbraw/zinc/39/26/96/585392696.db2.gz ZYFVGHLQZHEYQW-UHFFFAOYSA-N 1 2 246.307 1.063 20 0 BDADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761088733 585407634 /nfs/dbraw/zinc/40/76/34/585407634.db2.gz QTVOPEQPGXNFRW-USWWRNFRSA-N 1 2 234.274 1.446 20 0 BDADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761088733 585407635 /nfs/dbraw/zinc/40/76/35/585407635.db2.gz QTVOPEQPGXNFRW-USWWRNFRSA-N 1 2 234.274 1.446 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761096388 585408833 /nfs/dbraw/zinc/40/88/33/585408833.db2.gz RBMZLZNPSYJMTB-BDAKNGLRSA-N 1 2 205.261 1.541 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761096388 585408834 /nfs/dbraw/zinc/40/88/34/585408834.db2.gz RBMZLZNPSYJMTB-BDAKNGLRSA-N 1 2 205.261 1.541 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1cn(C)nn1 ZINC000761311722 585413423 /nfs/dbraw/zinc/41/34/23/585413423.db2.gz AMVVKJQNDPDYKG-UHFFFAOYSA-N 1 2 245.286 1.170 20 0 BDADLO CCCC1(C(=O)OCC[NH+]2CCOCC2)CC1 ZINC000761454663 585416118 /nfs/dbraw/zinc/41/61/18/585416118.db2.gz MGNGXQBFFVHOLY-UHFFFAOYSA-N 1 2 241.331 1.442 20 0 BDADLO CCc1nc(-c2cccnc2-n2cc[nH+]c2)no1 ZINC000761697087 585417991 /nfs/dbraw/zinc/41/79/91/585417991.db2.gz DLUQYHPUUHGVPP-UHFFFAOYSA-N 1 2 241.254 1.880 20 0 BDADLO FC(F)C[N@H+](C[C@@H]1COCCO1)C1CCC1 ZINC000887102279 585440056 /nfs/dbraw/zinc/44/00/56/585440056.db2.gz JODSNNXQNBXYEJ-SNVBAGLBSA-N 1 2 235.274 1.521 20 0 BDADLO FC(F)C[N@@H+](C[C@@H]1COCCO1)C1CCC1 ZINC000887102279 585440057 /nfs/dbraw/zinc/44/00/57/585440057.db2.gz JODSNNXQNBXYEJ-SNVBAGLBSA-N 1 2 235.274 1.521 20 0 BDADLO CCCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000763141270 585443519 /nfs/dbraw/zinc/44/35/19/585443519.db2.gz JTOSVYYRCATPHZ-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO CCCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000763141270 585443520 /nfs/dbraw/zinc/44/35/20/585443520.db2.gz JTOSVYYRCATPHZ-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO CCCCCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000763141270 585443521 /nfs/dbraw/zinc/44/35/21/585443521.db2.gz JTOSVYYRCATPHZ-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO CCCCCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000763141270 585443522 /nfs/dbraw/zinc/44/35/22/585443522.db2.gz JTOSVYYRCATPHZ-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO COCC[C@H](C)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000763289685 585446188 /nfs/dbraw/zinc/44/61/88/585446188.db2.gz SZODFYUVVATULK-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO O=C1O[C@H](C[N@H+]2CCC=C(F)C2)CC12CC2 ZINC000763729587 585453459 /nfs/dbraw/zinc/45/34/59/585453459.db2.gz HSYPAWSSEOXOLG-JTQLQIEISA-N 1 2 225.263 1.641 20 0 BDADLO O=C1O[C@H](C[N@@H+]2CCC=C(F)C2)CC12CC2 ZINC000763729587 585453460 /nfs/dbraw/zinc/45/34/60/585453460.db2.gz HSYPAWSSEOXOLG-JTQLQIEISA-N 1 2 225.263 1.641 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000763877354 585455958 /nfs/dbraw/zinc/45/59/58/585455958.db2.gz YEWYRVVQAODTRC-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO CC[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000763877354 585455959 /nfs/dbraw/zinc/45/59/59/585455959.db2.gz YEWYRVVQAODTRC-ZETCQYMHSA-N 1 2 242.216 1.051 20 0 BDADLO CNc1ncc(C(=O)Nc2cc[nH+]cc2C)s1 ZINC000764187755 585461383 /nfs/dbraw/zinc/46/13/83/585461383.db2.gz NWEYAMLHMOJHDB-UHFFFAOYSA-N 1 2 248.311 1.562 20 0 BDADLO C[C@H](CC[NH+](C)C)NC(=O)[C@H](F)C(F)(F)F ZINC000764508181 585467037 /nfs/dbraw/zinc/46/70/37/585467037.db2.gz QHZNIEBJBOCHQD-RQJHMYQMSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@H](CC[NH+](C)C)NC(=O)C(F)C(F)(F)F ZINC000764508181 585467038 /nfs/dbraw/zinc/46/70/38/585467038.db2.gz QHZNIEBJBOCHQD-RQJHMYQMSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@H]1OCC[N@H+](CN2C(=O)CC23CCC3)[C@@H]1C ZINC000765099153 585481203 /nfs/dbraw/zinc/48/12/03/585481203.db2.gz MRHSOHURGKMNIQ-GHMZBOCLSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2C(=O)CC23CCC3)[C@@H]1C ZINC000765099153 585481204 /nfs/dbraw/zinc/48/12/04/585481204.db2.gz MRHSOHURGKMNIQ-GHMZBOCLSA-N 1 2 238.331 1.208 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2cnns2)[nH]1 ZINC000859222874 589021500 /nfs/dbraw/zinc/02/15/00/589021500.db2.gz ODAINKRPRQHXPV-SECBINFHSA-N 1 2 235.316 1.598 20 0 BDADLO FCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766255521 585499774 /nfs/dbraw/zinc/49/97/74/585499774.db2.gz FGSBVRSDXLSPTA-SNVBAGLBSA-N 1 2 238.310 1.831 20 0 BDADLO FCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766255521 585499775 /nfs/dbraw/zinc/49/97/75/585499775.db2.gz FGSBVRSDXLSPTA-SNVBAGLBSA-N 1 2 238.310 1.831 20 0 BDADLO O=C(CCN1CC[NH+](C2CC2)CC1)C1CC1 ZINC000767350883 585517004 /nfs/dbraw/zinc/51/70/04/585517004.db2.gz PKSIIWZFORITKZ-UHFFFAOYSA-N 1 2 222.332 1.136 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nncn2C)c(C)o1 ZINC000767354510 585517416 /nfs/dbraw/zinc/51/74/16/585517416.db2.gz RTSPULCHYUZLLA-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cnn(C)c1 ZINC000805350962 585523364 /nfs/dbraw/zinc/52/33/64/585523364.db2.gz AEATUQWQPIWGCV-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO CCOC(=O)N1CC[NH+](Cc2ccoc2)CC1 ZINC000768143307 585533021 /nfs/dbraw/zinc/53/30/21/585533021.db2.gz RROBQOVULIKRLB-UHFFFAOYSA-N 1 2 238.287 1.554 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)OCc2ccccc2)C[C@@H]1O ZINC000768769056 585542697 /nfs/dbraw/zinc/54/26/97/585542697.db2.gz QHSWLDWESFJWOL-AAEUAGOBSA-N 1 2 249.310 1.042 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)OCc2ccccc2)C[C@@H]1O ZINC000768769056 585542698 /nfs/dbraw/zinc/54/26/98/585542698.db2.gz QHSWLDWESFJWOL-AAEUAGOBSA-N 1 2 249.310 1.042 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)OCc2ccccc2)C[C@H]1O ZINC000768769065 585543002 /nfs/dbraw/zinc/54/30/02/585543002.db2.gz QHSWLDWESFJWOL-WCQYABFASA-N 1 2 249.310 1.042 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)OCc2ccccc2)C[C@H]1O ZINC000768769065 585543003 /nfs/dbraw/zinc/54/30/03/585543003.db2.gz QHSWLDWESFJWOL-WCQYABFASA-N 1 2 249.310 1.042 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1csnn1 ZINC000769035092 585547839 /nfs/dbraw/zinc/54/78/39/585547839.db2.gz FXOOLHRSIOWTNM-UHFFFAOYSA-N 1 2 248.355 1.998 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1csnn1 ZINC000769035092 585547840 /nfs/dbraw/zinc/54/78/40/585547840.db2.gz FXOOLHRSIOWTNM-UHFFFAOYSA-N 1 2 248.355 1.998 20 0 BDADLO C[C@@H]1COCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000769266498 585551963 /nfs/dbraw/zinc/55/19/63/585551963.db2.gz KUUWRBDDBPHTLH-MNOVXSKESA-N 1 2 238.287 1.099 20 0 BDADLO C[NH+]1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000769352636 585554449 /nfs/dbraw/zinc/55/44/49/585554449.db2.gz FXUXUEZQGAMVGF-LBPRGKRZSA-N 1 2 236.290 1.471 20 0 BDADLO CC[C@@H](NC(=O)C[C@H](C)OC)c1[nH]cc[nH+]1 ZINC000769670031 585561536 /nfs/dbraw/zinc/56/15/36/585561536.db2.gz RXLDNXNRROXAAF-DTWKUNHWSA-N 1 2 225.292 1.402 20 0 BDADLO CC[C@H](NC(=O)C[C@H](C)OC)c1[nH]cc[nH+]1 ZINC000769670032 585561568 /nfs/dbraw/zinc/56/15/68/585561568.db2.gz RXLDNXNRROXAAF-IUCAKERBSA-N 1 2 225.292 1.402 20 0 BDADLO COC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000770236751 585572222 /nfs/dbraw/zinc/57/22/22/585572222.db2.gz WWDVIGLVXKNTCD-SECBINFHSA-N 1 2 233.271 1.099 20 0 BDADLO O=C(Nc1ccncc1)c1cccc2[nH+]ccn21 ZINC000770398194 585573729 /nfs/dbraw/zinc/57/37/29/585573729.db2.gz ZVCDPIZSYRHCCM-UHFFFAOYSA-N 1 2 238.250 1.404 20 0 BDADLO CCOCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770396500 585573821 /nfs/dbraw/zinc/57/38/21/585573821.db2.gz RVGPPFOZCGPDGF-UHFFFAOYSA-N 1 2 247.298 1.491 20 0 BDADLO O=C(N[C@H]1CCCOC1)c1cccc2[nH+]ccn21 ZINC000770416230 585574184 /nfs/dbraw/zinc/57/41/84/585574184.db2.gz FJHCBHPIPVYMDE-JTQLQIEISA-N 1 2 245.282 1.243 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@](C)(CO)C2CC2)[nH+]1 ZINC000770462412 585574386 /nfs/dbraw/zinc/57/43/86/585574386.db2.gz LXWUBMOJODROEH-ZDUSSCGKSA-N 1 2 246.314 1.839 20 0 BDADLO CC(C)OC[C@@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000770689685 585580054 /nfs/dbraw/zinc/58/00/54/585580054.db2.gz RECGIXHAACSVNG-ZDUSSCGKSA-N 1 2 239.315 1.905 20 0 BDADLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000770689685 585580055 /nfs/dbraw/zinc/58/00/55/585580055.db2.gz RECGIXHAACSVNG-ZDUSSCGKSA-N 1 2 239.315 1.905 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000771802256 585600334 /nfs/dbraw/zinc/60/03/34/585600334.db2.gz NRHMYLHKGNVLSN-PWSUYJOCSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1cc(NC[C@H](O)c2cccnc2)nc[nH+]1 ZINC000771922192 585604600 /nfs/dbraw/zinc/60/46/00/585604600.db2.gz NFTFMFNVCWDZGU-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO CCc1cc(NC[C@H](O)c2cccnc2)nc[nH+]1 ZINC000771922204 585604701 /nfs/dbraw/zinc/60/47/01/585604701.db2.gz NNWYMKLEVATHPE-LBPRGKRZSA-N 1 2 244.298 1.580 20 0 BDADLO O=C(Cc1cccc(O)c1)OCCn1cc[nH+]c1 ZINC000771940640 585605245 /nfs/dbraw/zinc/60/52/45/585605245.db2.gz QMQNPASOARSEBY-UHFFFAOYSA-N 1 2 246.266 1.375 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cc(O)cc(O)c1 ZINC000772053212 585607658 /nfs/dbraw/zinc/60/76/58/585607658.db2.gz APBLXVRQYJFZIV-UHFFFAOYSA-N 1 2 248.238 1.151 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000772747370 585622887 /nfs/dbraw/zinc/62/28/87/585622887.db2.gz MYMZMECQNLTEOL-GFCCVEGCSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000772747370 585622888 /nfs/dbraw/zinc/62/28/88/585622888.db2.gz MYMZMECQNLTEOL-GFCCVEGCSA-N 1 2 249.289 1.714 20 0 BDADLO Cn1c[nH+]cc1C[NH2+]C1(C(=O)[O-])CCCCC1 ZINC000772824474 585624938 /nfs/dbraw/zinc/62/49/38/585624938.db2.gz LFUPTACUOBCNMK-UHFFFAOYSA-N 1 2 237.303 1.297 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCC(C)(C)C)C1 ZINC000805477291 585631088 /nfs/dbraw/zinc/63/10/88/585631088.db2.gz IBSQRRQGZGZFDH-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCC(C)(C)C)C1 ZINC000805477291 585631089 /nfs/dbraw/zinc/63/10/89/585631089.db2.gz IBSQRRQGZGZFDH-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1cnccn1 ZINC000774037651 585648771 /nfs/dbraw/zinc/64/87/71/585648771.db2.gz OKNHIRBSPHVTPI-CMPLNLGQSA-N 1 2 249.314 1.565 20 0 BDADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1cnccn1 ZINC000774037651 585648772 /nfs/dbraw/zinc/64/87/72/585648772.db2.gz OKNHIRBSPHVTPI-CMPLNLGQSA-N 1 2 249.314 1.565 20 0 BDADLO C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[nH]2)Cc2ccccc21 ZINC000774545404 585660814 /nfs/dbraw/zinc/66/08/14/585660814.db2.gz AECNWKIWQGQAML-SECBINFHSA-N 1 2 244.298 1.630 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[nH]2)Cc2ccccc21 ZINC000774545404 585660815 /nfs/dbraw/zinc/66/08/15/585660815.db2.gz AECNWKIWQGQAML-SECBINFHSA-N 1 2 244.298 1.630 20 0 BDADLO CCc1cc(CNc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000774529754 585661062 /nfs/dbraw/zinc/66/10/62/585661062.db2.gz LTPJABCXFCVOHL-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000774905234 585668902 /nfs/dbraw/zinc/66/89/02/585668902.db2.gz YRKNZKAZKNNIDJ-NSHDSACASA-N 1 2 219.288 1.461 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000774905234 585668903 /nfs/dbraw/zinc/66/89/03/585668903.db2.gz YRKNZKAZKNNIDJ-NSHDSACASA-N 1 2 219.288 1.461 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000774905234 585668904 /nfs/dbraw/zinc/66/89/04/585668904.db2.gz YRKNZKAZKNNIDJ-NSHDSACASA-N 1 2 219.288 1.461 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000774905234 585668905 /nfs/dbraw/zinc/66/89/05/585668905.db2.gz YRKNZKAZKNNIDJ-NSHDSACASA-N 1 2 219.288 1.461 20 0 BDADLO COc1cc[nH+]cc1COC(=O)Cc1cc[nH]n1 ZINC000805527994 585669025 /nfs/dbraw/zinc/66/90/25/585669025.db2.gz OFFWDFWCRLLYFP-UHFFFAOYSA-N 1 2 247.254 1.099 20 0 BDADLO CC(C)N1CC[N@H+](C[C@H]2CCC=CO2)CC1=O ZINC000775056130 585671188 /nfs/dbraw/zinc/67/11/88/585671188.db2.gz WLYRKIIMURBXQL-GFCCVEGCSA-N 1 2 238.331 1.232 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@H]2CCC=CO2)CC1=O ZINC000775056130 585671189 /nfs/dbraw/zinc/67/11/89/585671189.db2.gz WLYRKIIMURBXQL-GFCCVEGCSA-N 1 2 238.331 1.232 20 0 BDADLO C[C@@H]1C[NH+](C[C@@H]2CCC=CO2)C[C@@H](C)S1=O ZINC000775116385 585672584 /nfs/dbraw/zinc/67/25/84/585672584.db2.gz UNFWZRWNVRGNKT-UTUOFQBUSA-N 1 2 243.372 1.520 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1nccn1C(F)F ZINC000775566702 585679328 /nfs/dbraw/zinc/67/93/28/585679328.db2.gz AFMAVDPSSAVVES-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1nccn1C(F)F ZINC000775566702 585679329 /nfs/dbraw/zinc/67/93/29/585679329.db2.gz AFMAVDPSSAVVES-VIFPVBQESA-N 1 2 245.273 1.889 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCc2c[nH+]cn2C)CCO1 ZINC000776525348 585699877 /nfs/dbraw/zinc/69/98/77/585699877.db2.gz SLJYOEDQXAEPLR-NXEZZACHSA-N 1 2 238.287 1.278 20 0 BDADLO COc1cc[nH+]cc1COC(=O)COC(F)F ZINC000805571173 585701814 /nfs/dbraw/zinc/70/18/14/585701814.db2.gz YVXWLUIIONERKI-UHFFFAOYSA-N 1 2 247.197 1.373 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000776700921 585703274 /nfs/dbraw/zinc/70/32/74/585703274.db2.gz MSXWBGOWMRGLET-URLYPYJESA-N 1 2 220.272 1.472 20 0 BDADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCOC1 ZINC000776899349 585706760 /nfs/dbraw/zinc/70/67/60/585706760.db2.gz ASVGPFJSLVNDAI-SNVBAGLBSA-N 1 2 245.282 1.195 20 0 BDADLO C/C=C\C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777457294 585712723 /nfs/dbraw/zinc/71/27/23/585712723.db2.gz MXFFIEOBHXWWLO-MDHMXLOGSA-N 1 2 205.261 1.649 20 0 BDADLO c1ccc2c(c1)C[N@H+](CC1OCCO1)CCO2 ZINC000777560844 585715048 /nfs/dbraw/zinc/71/50/48/585715048.db2.gz XLDLWJJROFLZMC-UHFFFAOYSA-N 1 2 235.283 1.254 20 0 BDADLO c1ccc2c(c1)C[N@@H+](CC1OCCO1)CCO2 ZINC000777560844 585715049 /nfs/dbraw/zinc/71/50/49/585715049.db2.gz XLDLWJJROFLZMC-UHFFFAOYSA-N 1 2 235.283 1.254 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCCC2=O)C[C@H]1F ZINC000777967113 585724710 /nfs/dbraw/zinc/72/47/10/585724710.db2.gz IEGYJCLINHRKRG-NXEZZACHSA-N 1 2 214.284 1.246 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCCC2=O)C[C@H]1F ZINC000777967113 585724711 /nfs/dbraw/zinc/72/47/11/585724711.db2.gz IEGYJCLINHRKRG-NXEZZACHSA-N 1 2 214.284 1.246 20 0 BDADLO O=C(C=C1CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779095968 585745292 /nfs/dbraw/zinc/74/52/92/585745292.db2.gz NVWFFVLXGKFUPN-NSHDSACASA-N 1 2 231.299 1.424 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000779198710 585747181 /nfs/dbraw/zinc/74/71/81/585747181.db2.gz KXQYPZKVVFYPEC-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000779198710 585747182 /nfs/dbraw/zinc/74/71/82/585747182.db2.gz KXQYPZKVVFYPEC-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000779421975 585754625 /nfs/dbraw/zinc/75/46/25/585754625.db2.gz HJKBXBWMABOBSX-LLVKDONJSA-N 1 2 238.331 1.298 20 0 BDADLO CC[C@H](CO)C(=O)Nc1c[nH+]ccc1OC ZINC000779752732 585760918 /nfs/dbraw/zinc/76/09/18/585760918.db2.gz HLYATWADXYTILP-MRVPVSSYSA-N 1 2 224.260 1.047 20 0 BDADLO CC[C@H](CO)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000779764060 585761509 /nfs/dbraw/zinc/76/15/09/585761509.db2.gz NJDDOGHLKCDAAU-SNVBAGLBSA-N 1 2 247.298 1.600 20 0 BDADLO COC1CCC(C(=O)NC2=[NH+]CCS2)CC1 ZINC000780226993 585773949 /nfs/dbraw/zinc/77/39/49/585773949.db2.gz ITZNOTJTPRIVFR-UHFFFAOYSA-N 1 2 242.344 1.411 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781354174 585795094 /nfs/dbraw/zinc/79/50/94/585795094.db2.gz OTQQKQQXVSHVTQ-SFYZADRCSA-N 1 2 235.230 1.006 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781354174 585795095 /nfs/dbraw/zinc/79/50/95/585795095.db2.gz OTQQKQQXVSHVTQ-SFYZADRCSA-N 1 2 235.230 1.006 20 0 BDADLO CC[C@@](C)(CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000782025625 585807069 /nfs/dbraw/zinc/80/70/69/585807069.db2.gz KMIPUTSHVMLORH-ZDUSSCGKSA-N 1 2 247.298 1.225 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)OCCn1cc[nH+]c1 ZINC000782337004 585815462 /nfs/dbraw/zinc/81/54/62/585815462.db2.gz SXLPUYAADNAUAG-ONEGZZNKSA-N 1 2 231.255 1.468 20 0 BDADLO CC(C)c1nc(N2C[C@H]3C[C@@]3(CO)C2)cc[nH+]1 ZINC000782402608 585817620 /nfs/dbraw/zinc/81/76/20/585817620.db2.gz JBHJMXWAOHWPER-MFKMUULPSA-N 1 2 233.315 1.419 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000782538188 585819839 /nfs/dbraw/zinc/81/98/39/585819839.db2.gz BZXRETRFLFHHOC-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000782538188 585819840 /nfs/dbraw/zinc/81/98/40/585819840.db2.gz BZXRETRFLFHHOC-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000782590889 585820953 /nfs/dbraw/zinc/82/09/53/585820953.db2.gz HUENBCQAOHPJTF-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000782590889 585820954 /nfs/dbraw/zinc/82/09/54/585820954.db2.gz HUENBCQAOHPJTF-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782611845 585822332 /nfs/dbraw/zinc/82/23/32/585822332.db2.gz FNLXWIIYNAUFHH-HOTUBEGUSA-N 1 2 237.303 1.007 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782611845 585822333 /nfs/dbraw/zinc/82/23/33/585822333.db2.gz FNLXWIIYNAUFHH-HOTUBEGUSA-N 1 2 237.303 1.007 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)oc1C ZINC000782636316 585823699 /nfs/dbraw/zinc/82/36/99/585823699.db2.gz XTYMVIPIZDKUIB-CMPLNLGQSA-N 1 2 222.288 1.106 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)oc1C ZINC000782636316 585823700 /nfs/dbraw/zinc/82/37/00/585823700.db2.gz XTYMVIPIZDKUIB-CMPLNLGQSA-N 1 2 222.288 1.106 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H](C)COC ZINC000782861630 585825081 /nfs/dbraw/zinc/82/50/81/585825081.db2.gz XOODKHDZVJGEIB-VIFPVBQESA-N 1 2 238.287 1.623 20 0 BDADLO O=C(C=Cc1ccc[nH]1)NCc1c[nH+]c[nH]1 ZINC000783641367 585839077 /nfs/dbraw/zinc/83/90/77/585839077.db2.gz DUYCTDCVZHHQPJ-ARJAWSKDSA-N 1 2 216.244 1.067 20 0 BDADLO O=C(C=Cc1ccc[nH]1)NCc1c[nH]c[nH+]1 ZINC000783641367 585839078 /nfs/dbraw/zinc/83/90/78/585839078.db2.gz DUYCTDCVZHHQPJ-ARJAWSKDSA-N 1 2 216.244 1.067 20 0 BDADLO CCn1cc(C(=O)OCCCn2cc[nH+]c2)cn1 ZINC000783673994 585839912 /nfs/dbraw/zinc/83/99/12/585839912.db2.gz SKEUDBZYONNKIN-UHFFFAOYSA-N 1 2 248.286 1.347 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)s1 ZINC000783729079 585840756 /nfs/dbraw/zinc/84/07/56/585840756.db2.gz LXINPXAJFLWUHU-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)s1 ZINC000783729079 585840757 /nfs/dbraw/zinc/84/07/57/585840757.db2.gz LXINPXAJFLWUHU-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC000783733465 585841254 /nfs/dbraw/zinc/84/12/54/585841254.db2.gz HTMSKUCITOOPMU-MFKMUULPSA-N 1 2 234.299 1.366 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC000783733465 585841255 /nfs/dbraw/zinc/84/12/55/585841255.db2.gz HTMSKUCITOOPMU-MFKMUULPSA-N 1 2 234.299 1.366 20 0 BDADLO CCNC(=S)Nc1cc(N(C)C)cc[nH+]1 ZINC000783764247 585842640 /nfs/dbraw/zinc/84/26/40/585842640.db2.gz SSBQCFQBJCUDMO-UHFFFAOYSA-N 1 2 224.333 1.454 20 0 BDADLO CCCNC(=S)Nc1cc(N(C)C)cc[nH+]1 ZINC000783764021 585842650 /nfs/dbraw/zinc/84/26/50/585842650.db2.gz QWXLDECVBBFVOP-UHFFFAOYSA-N 1 2 238.360 1.844 20 0 BDADLO CO[C@H]1C[N@H+](Cn2ccsc2=O)CC[C@H]1C ZINC000783972035 585846206 /nfs/dbraw/zinc/84/62/06/585846206.db2.gz NCCBXCQNDNCQCH-ZJUUUORDSA-N 1 2 242.344 1.224 20 0 BDADLO CO[C@H]1C[N@@H+](Cn2ccsc2=O)CC[C@H]1C ZINC000783972035 585846207 /nfs/dbraw/zinc/84/62/07/585846207.db2.gz NCCBXCQNDNCQCH-ZJUUUORDSA-N 1 2 242.344 1.224 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H]3C[C@H]32)s1 ZINC000784220386 585853022 /nfs/dbraw/zinc/85/30/22/585853022.db2.gz ASTYWCVPSXPKKR-JGVFFNPUSA-N 1 2 209.318 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H]3C[C@H]32)s1 ZINC000784220386 585853023 /nfs/dbraw/zinc/85/30/23/585853023.db2.gz ASTYWCVPSXPKKR-JGVFFNPUSA-N 1 2 209.318 1.695 20 0 BDADLO CC(C)[C@@H](F)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000784300245 585855125 /nfs/dbraw/zinc/85/51/25/585855125.db2.gz UVPBBFJTMBUFDS-GFCCVEGCSA-N 1 2 249.289 1.945 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCCn1cc[nH+]c1 ZINC000784304096 585855319 /nfs/dbraw/zinc/85/53/19/585855319.db2.gz JXQQXPPAVPMVIB-SECBINFHSA-N 1 2 214.240 1.420 20 0 BDADLO CC1(C)C[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000784341263 585856452 /nfs/dbraw/zinc/85/64/52/585856452.db2.gz VJJAYODBJCKCST-SNVBAGLBSA-N 1 2 222.288 1.863 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000784524854 585861934 /nfs/dbraw/zinc/86/19/34/585861934.db2.gz HIAIZUVIUTWDNT-ONGXEEELSA-N 1 2 239.294 1.308 20 0 BDADLO CC(=O)CCCC(=O)OCCCn1cc[nH+]c1 ZINC000784785511 585866047 /nfs/dbraw/zinc/86/60/47/585866047.db2.gz WMQFNMVBTUAYGL-UHFFFAOYSA-N 1 2 238.287 1.576 20 0 BDADLO CS/C=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784913967 585868222 /nfs/dbraw/zinc/86/82/22/585868222.db2.gz JYEPQUGIKNTELV-ANRVEHPFSA-N 1 2 245.344 1.127 20 0 BDADLO CCc1n[nH]cc1C(=O)OCCn1cc[nH+]c1 ZINC000785169037 585871250 /nfs/dbraw/zinc/87/12/50/585871250.db2.gz KGNMQUVCZRQURX-UHFFFAOYSA-N 1 2 234.259 1.026 20 0 BDADLO CC1(C)CC[C@@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000785273431 585872231 /nfs/dbraw/zinc/87/22/31/585872231.db2.gz QWEROSYLPMUKGT-JTQLQIEISA-N 1 2 238.287 1.384 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000785420968 585873297 /nfs/dbraw/zinc/87/32/97/585873297.db2.gz IAIIMZMCGYWMNF-NXEZZACHSA-N 1 2 235.287 1.670 20 0 BDADLO CC[C@@H](NC(=O)/C=C\SC)c1[nH]cc[nH+]1 ZINC000785420756 585873426 /nfs/dbraw/zinc/87/34/26/585873426.db2.gz BYROMEYQHLFBNJ-RBMBQVQZSA-N 1 2 225.317 1.854 20 0 BDADLO CC[C@@H](NC(=O)C=CSC)c1[nH]cc[nH+]1 ZINC000785420756 585873427 /nfs/dbraw/zinc/87/34/27/585873427.db2.gz BYROMEYQHLFBNJ-RBMBQVQZSA-N 1 2 225.317 1.854 20 0 BDADLO CC(C)OCc1noc(Cn2cc[nH+]c2)n1 ZINC000785560910 585875651 /nfs/dbraw/zinc/87/56/51/585875651.db2.gz UGPVTDJLRSKHGF-UHFFFAOYSA-N 1 2 222.248 1.239 20 0 BDADLO Cc1cncc(COC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000785680103 585877921 /nfs/dbraw/zinc/87/79/21/585877921.db2.gz VIRPHMMXEBNTBO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cncc(COC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000785680103 585877922 /nfs/dbraw/zinc/87/79/22/585877922.db2.gz VIRPHMMXEBNTBO-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)C(=O)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785728461 585879004 /nfs/dbraw/zinc/87/90/04/585879004.db2.gz HRCUEVRDCLZWDO-QWRGUYRKSA-N 1 2 241.331 1.628 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1ccc(F)cn1 ZINC000786747352 585897073 /nfs/dbraw/zinc/89/70/73/585897073.db2.gz VGCZPTNHGAMJOB-SSDOTTSWSA-N 1 2 227.239 1.254 20 0 BDADLO COC(C)(C)CCO[NH+]=C(N)COC(C)C ZINC000786742580 585897159 /nfs/dbraw/zinc/89/71/59/585897159.db2.gz RORHGLPFRITJMX-UHFFFAOYSA-N 1 2 232.324 1.725 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(Cl)cs1 ZINC000787084532 585900831 /nfs/dbraw/zinc/90/08/31/585900831.db2.gz TYOIGYLLLOGOLY-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(Cl)cs1 ZINC000787084532 585900832 /nfs/dbraw/zinc/90/08/32/585900832.db2.gz TYOIGYLLLOGOLY-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO Fc1ccc(C[N@@H+]2CCC3(C2)OCCO3)nc1 ZINC000787258423 585904091 /nfs/dbraw/zinc/90/40/91/585904091.db2.gz AVWGRLWJZMXGBH-UHFFFAOYSA-N 1 2 238.262 1.170 20 0 BDADLO Fc1ccc(C[N@H+]2CCC3(C2)OCCO3)nc1 ZINC000787258423 585904092 /nfs/dbraw/zinc/90/40/92/585904092.db2.gz AVWGRLWJZMXGBH-UHFFFAOYSA-N 1 2 238.262 1.170 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(F)cn1 ZINC000787270385 585904225 /nfs/dbraw/zinc/90/42/25/585904225.db2.gz PMLHAEYZSLWMNI-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(F)cn1 ZINC000787270385 585904226 /nfs/dbraw/zinc/90/42/26/585904226.db2.gz PMLHAEYZSLWMNI-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO O[C@H]1C[N@H+](CC2(O)CCCCC2)CC(F)(F)C1 ZINC000787361206 585907634 /nfs/dbraw/zinc/90/76/34/585907634.db2.gz QDVNWJPCRSTIGY-SNVBAGLBSA-N 1 2 249.301 1.384 20 0 BDADLO O[C@H]1C[N@@H+](CC2(O)CCCCC2)CC(F)(F)C1 ZINC000787361206 585907635 /nfs/dbraw/zinc/90/76/35/585907635.db2.gz QDVNWJPCRSTIGY-SNVBAGLBSA-N 1 2 249.301 1.384 20 0 BDADLO Nc1cc(COC(=O)c2ccccn2)cc[nH+]1 ZINC000787578457 585912104 /nfs/dbraw/zinc/91/21/04/585912104.db2.gz ITBAOFMWURHQGT-UHFFFAOYSA-N 1 2 229.239 1.416 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000788838468 585931055 /nfs/dbraw/zinc/93/10/55/585931055.db2.gz BMSXMQLXEJHEOH-JXMFCEOTSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000788838468 585931056 /nfs/dbraw/zinc/93/10/56/585931056.db2.gz BMSXMQLXEJHEOH-JXMFCEOTSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000789577085 585944290 /nfs/dbraw/zinc/94/42/90/585944290.db2.gz MUYSWIOBOGQYQC-GRYCIOLGSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H](C)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789612793 585946662 /nfs/dbraw/zinc/94/66/62/585946662.db2.gz VLKBYOIXXGUICP-IUCAKERBSA-N 1 2 200.282 1.710 20 0 BDADLO O=C1C[N@H+](Cc2cc3ccccc3[nH]2)CCCN1 ZINC000789729953 585949189 /nfs/dbraw/zinc/94/91/89/585949189.db2.gz YDKOUQSTNVDNSO-UHFFFAOYSA-N 1 2 243.310 1.490 20 0 BDADLO O=C1C[N@@H+](Cc2cc3ccccc3[nH]2)CCCN1 ZINC000789729953 585949190 /nfs/dbraw/zinc/94/91/90/585949190.db2.gz YDKOUQSTNVDNSO-UHFFFAOYSA-N 1 2 243.310 1.490 20 0 BDADLO C/C=C(/CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000789766063 585949507 /nfs/dbraw/zinc/94/95/07/585949507.db2.gz TXCJQDKLJGYAOO-KMKOMSMNSA-N 1 2 219.288 1.623 20 0 BDADLO c1c[nH+]c(COC[C@H]2COc3ccccc3O2)[nH]1 ZINC000789965569 585954986 /nfs/dbraw/zinc/95/49/86/585954986.db2.gz CPJURVNHIIRPEP-JTQLQIEISA-N 1 2 246.266 1.766 20 0 BDADLO C[C@H](O)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000790086873 585957939 /nfs/dbraw/zinc/95/79/39/585957939.db2.gz MVQXGLZFNFGGNT-JTQLQIEISA-N 1 2 247.298 1.225 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cnc(C)cn2)cnn1C ZINC000790453105 585964859 /nfs/dbraw/zinc/96/48/59/585964859.db2.gz NPOUEWIAJMYJEM-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cnc(C)cn2)cnn1C ZINC000790453105 585964860 /nfs/dbraw/zinc/96/48/60/585964860.db2.gz NPOUEWIAJMYJEM-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ncccn1 ZINC000791393154 585980222 /nfs/dbraw/zinc/98/02/22/585980222.db2.gz UDKCIWDSLXAHBM-NSHDSACASA-N 1 2 249.314 1.394 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ncccn1 ZINC000791393154 585980223 /nfs/dbraw/zinc/98/02/23/585980223.db2.gz UDKCIWDSLXAHBM-NSHDSACASA-N 1 2 249.314 1.394 20 0 BDADLO C[C@@]1(C(=O)OCc2cc[nH+]c(N)c2)CCCO1 ZINC000792012561 585993476 /nfs/dbraw/zinc/99/34/76/585993476.db2.gz UKSHPBXGDGEQQE-LBPRGKRZSA-N 1 2 236.271 1.276 20 0 BDADLO C[C@@]1(C(=O)OCc2cc[nH+]c(N)c2)CCOC1 ZINC000792134883 585996371 /nfs/dbraw/zinc/99/63/71/585996371.db2.gz KJQIFNVKCABZMC-GFCCVEGCSA-N 1 2 236.271 1.134 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792149401 585996779 /nfs/dbraw/zinc/99/67/79/585996779.db2.gz HJGSHYVFFHPEMK-GHMZBOCLSA-N 1 2 234.299 1.999 20 0 BDADLO C[C@H]1C[C@H](C(=O)OCc2cc[nH+]c(N)c2)CO1 ZINC000792168584 585996901 /nfs/dbraw/zinc/99/69/01/585996901.db2.gz AWYFLBBWGXHPMJ-WPRPVWTQSA-N 1 2 236.271 1.132 20 0 BDADLO CC[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000792289726 585999211 /nfs/dbraw/zinc/99/92/11/585999211.db2.gz SXOHYWKOEDOUAR-GHMZBOCLSA-N 1 2 243.347 1.467 20 0 BDADLO C/C=C(\CC)C(=O)OCCc1c[nH+]cn1C ZINC000793236648 586014694 /nfs/dbraw/zinc/01/46/94/586014694.db2.gz AZXSIONPDRHPSB-ONNFQVAWSA-N 1 2 222.288 1.862 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)CC(C)(F)F ZINC000793256877 586015244 /nfs/dbraw/zinc/01/52/44/586015244.db2.gz DYUGTIIBWQMJPX-UHFFFAOYSA-N 1 2 232.230 1.551 20 0 BDADLO CCC/C=C/C(=O)OCCc1c[nH+]cn1C ZINC000793256101 586015375 /nfs/dbraw/zinc/01/53/75/586015375.db2.gz OCIUYXZIIFXMMB-AATRIKPKSA-N 1 2 222.288 1.862 20 0 BDADLO OCc1ccc(C[NH2+]Cc2cccnc2F)o1 ZINC000793285921 586016009 /nfs/dbraw/zinc/01/60/09/586016009.db2.gz ZBLOFSZBJWLVNP-UHFFFAOYSA-N 1 2 236.246 1.596 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)nn2C)on1 ZINC000793528131 586022017 /nfs/dbraw/zinc/02/20/17/586022017.db2.gz SAPBWKKPROZSPZ-JTQLQIEISA-N 1 2 234.303 1.876 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)nn2C)on1 ZINC000793528133 586022078 /nfs/dbraw/zinc/02/20/78/586022078.db2.gz SAPBWKKPROZSPZ-SNVBAGLBSA-N 1 2 234.303 1.876 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCOC1CCC1 ZINC000793583214 586023556 /nfs/dbraw/zinc/02/35/56/586023556.db2.gz WHADOTIUAIQUTF-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCOC1CCC1 ZINC000793583214 586023557 /nfs/dbraw/zinc/02/35/57/586023557.db2.gz WHADOTIUAIQUTF-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1cccnc1F ZINC000793999449 586030003 /nfs/dbraw/zinc/03/00/03/586030003.db2.gz LANNTERVEKURSA-UHFFFAOYSA-N 1 2 248.261 1.124 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1nnc(C)[nH]1 ZINC000794403598 586038561 /nfs/dbraw/zinc/03/85/61/586038561.db2.gz FBZBCISCTMPHPQ-UHFFFAOYSA-N 1 2 245.330 1.573 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1nnc(C)[nH]1 ZINC000794403598 586038562 /nfs/dbraw/zinc/03/85/62/586038562.db2.gz FBZBCISCTMPHPQ-UHFFFAOYSA-N 1 2 245.330 1.573 20 0 BDADLO CC[C@H]1CC(=O)N(C[NH+]2CCC(F)(F)CC2)C1 ZINC000794688805 586047059 /nfs/dbraw/zinc/04/70/59/586047059.db2.gz SBSBBXNCARQKBS-JTQLQIEISA-N 1 2 246.301 1.934 20 0 BDADLO Cc1nccc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000794712616 586047132 /nfs/dbraw/zinc/04/71/32/586047132.db2.gz BZIYPWCGPSDXSV-UHFFFAOYSA-N 1 2 242.282 1.832 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]2C[C@H]21 ZINC000794794636 586049054 /nfs/dbraw/zinc/04/90/54/586049054.db2.gz KRRJZNWSMIMBIK-NWDGAFQWSA-N 1 2 248.330 1.467 20 0 BDADLO FC(F)OCCN1CCc2[nH+]c[nH]c2C1 ZINC000859305648 589029594 /nfs/dbraw/zinc/02/95/94/589029594.db2.gz KSFFINXLVCLOHP-UHFFFAOYSA-N 1 2 217.219 1.007 20 0 BDADLO O=C1CCCN1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000795651951 586089928 /nfs/dbraw/zinc/08/99/28/586089928.db2.gz UGXAAWFDYROZAN-UHFFFAOYSA-N 1 2 246.310 1.949 20 0 BDADLO O=C1CCCN1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000795651951 586089929 /nfs/dbraw/zinc/08/99/29/586089929.db2.gz UGXAAWFDYROZAN-UHFFFAOYSA-N 1 2 246.310 1.949 20 0 BDADLO COc1ccccc1[C@H](CO)[NH2+]Cc1cnc[nH]1 ZINC000796449696 586103477 /nfs/dbraw/zinc/10/34/77/586103477.db2.gz KNNLYJJDBURVDG-LBPRGKRZSA-N 1 2 247.298 1.242 20 0 BDADLO CCC(=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000796585275 586108036 /nfs/dbraw/zinc/10/80/36/586108036.db2.gz VEZNKYCZYGIOIW-VIFPVBQESA-N 1 2 235.274 1.712 20 0 BDADLO CCC(=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000796585275 586108037 /nfs/dbraw/zinc/10/80/37/586108037.db2.gz VEZNKYCZYGIOIW-VIFPVBQESA-N 1 2 235.274 1.712 20 0 BDADLO C[C@H]([NH2+]CC1OCCO1)c1c(F)cncc1F ZINC000796639437 586109060 /nfs/dbraw/zinc/10/90/60/586109060.db2.gz MGBXYCWKJNZQQN-ZETCQYMHSA-N 1 2 244.241 1.383 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC(F)(F)C1 ZINC000796741486 586111251 /nfs/dbraw/zinc/11/12/51/586111251.db2.gz VXEAFKYBTRVMLA-MRVPVSSYSA-N 1 2 244.241 1.899 20 0 BDADLO C[N@H+](CC[S@@](C)=O)Cc1ccccc1F ZINC000798194511 586139623 /nfs/dbraw/zinc/13/96/23/586139623.db2.gz FTJKBAXWKBZAQC-OAHLLOKOSA-N 1 2 229.320 1.636 20 0 BDADLO C[N@@H+](CC[S@@](C)=O)Cc1ccccc1F ZINC000798194511 586139624 /nfs/dbraw/zinc/13/96/24/586139624.db2.gz FTJKBAXWKBZAQC-OAHLLOKOSA-N 1 2 229.320 1.636 20 0 BDADLO CC(=O)CCCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798836313 586151091 /nfs/dbraw/zinc/15/10/91/586151091.db2.gz AXURROAYEGRZRD-NSHDSACASA-N 1 2 229.320 1.485 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(C3CC3)no2)CC[N@@H+]1C ZINC000799644404 586187309 /nfs/dbraw/zinc/18/73/09/586187309.db2.gz IXZCTTIIPZSBHP-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(C3CC3)no2)CC[N@H+]1C ZINC000799644404 586187312 /nfs/dbraw/zinc/18/73/12/586187312.db2.gz IXZCTTIIPZSBHP-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO COCC[N@H+](CCF)CC(=O)NCC(C)(C)C ZINC000859349510 589033410 /nfs/dbraw/zinc/03/34/10/589033410.db2.gz AJGPHTYVIDRBDF-UHFFFAOYSA-N 1 2 248.342 1.067 20 0 BDADLO COCC[N@@H+](CCF)CC(=O)NCC(C)(C)C ZINC000859349510 589033412 /nfs/dbraw/zinc/03/34/12/589033412.db2.gz AJGPHTYVIDRBDF-UHFFFAOYSA-N 1 2 248.342 1.067 20 0 BDADLO O=c1sccn1C[NH+]1CCC2(CCO2)CC1 ZINC000799957183 586203124 /nfs/dbraw/zinc/20/31/24/586203124.db2.gz CHZGQAHHZZDYHG-UHFFFAOYSA-N 1 2 240.328 1.122 20 0 BDADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000839899358 586212871 /nfs/dbraw/zinc/21/28/71/586212871.db2.gz MBWXPQLCEGEBGF-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000839899358 586212874 /nfs/dbraw/zinc/21/28/74/586212874.db2.gz MBWXPQLCEGEBGF-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000839899358 586212877 /nfs/dbraw/zinc/21/28/77/586212877.db2.gz MBWXPQLCEGEBGF-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000839899358 586212880 /nfs/dbraw/zinc/21/28/80/586212880.db2.gz MBWXPQLCEGEBGF-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO Cc1nc(N2CCO[C@H](C(F)F)C2)cc[nH+]1 ZINC000800877125 586235394 /nfs/dbraw/zinc/23/53/94/586235394.db2.gz ZQJRWEHIWNPQML-QMMMGPOBSA-N 1 2 229.230 1.255 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000801563376 586263288 /nfs/dbraw/zinc/26/32/88/586263288.db2.gz OWVSGQKZGVCVLE-LURJTMIESA-N 1 2 233.180 1.905 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000801563376 586263290 /nfs/dbraw/zinc/26/32/90/586263290.db2.gz OWVSGQKZGVCVLE-LURJTMIESA-N 1 2 233.180 1.905 20 0 BDADLO O=C(CC[N@@H+]1CCO[C@@H](C(F)F)C1)C1CC1 ZINC000801563192 586263335 /nfs/dbraw/zinc/26/33/35/586263335.db2.gz ADUAOMCYHBWIMF-SNVBAGLBSA-N 1 2 233.258 1.322 20 0 BDADLO O=C(CC[N@H+]1CCO[C@@H](C(F)F)C1)C1CC1 ZINC000801563192 586263337 /nfs/dbraw/zinc/26/33/37/586263337.db2.gz ADUAOMCYHBWIMF-SNVBAGLBSA-N 1 2 233.258 1.322 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801568066 586263998 /nfs/dbraw/zinc/26/39/98/586263998.db2.gz XAOQQMQXURZXEB-NXEZZACHSA-N 1 2 249.301 1.910 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801568066 586264000 /nfs/dbraw/zinc/26/40/00/586264000.db2.gz XAOQQMQXURZXEB-NXEZZACHSA-N 1 2 249.301 1.910 20 0 BDADLO CC(C)(C)C(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801566640 586264630 /nfs/dbraw/zinc/26/46/30/586264630.db2.gz DNDCCFXTVSPWDO-SECBINFHSA-N 1 2 249.301 1.958 20 0 BDADLO CC(C)(C)C(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801566640 586264631 /nfs/dbraw/zinc/26/46/31/586264631.db2.gz DNDCCFXTVSPWDO-SECBINFHSA-N 1 2 249.301 1.958 20 0 BDADLO CCN1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)C1=O ZINC000801684201 586268369 /nfs/dbraw/zinc/26/83/69/586268369.db2.gz VLICWRZBYGDQOQ-JTQLQIEISA-N 1 2 248.330 1.633 20 0 BDADLO O=C1CC[C@H](C[N@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477420 589040006 /nfs/dbraw/zinc/04/00/06/589040006.db2.gz CTWDVOBHPNUZGL-GFCCVEGCSA-N 1 2 233.267 1.413 20 0 BDADLO O=C1CC[C@H](C[N@@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477420 589040008 /nfs/dbraw/zinc/04/00/08/589040008.db2.gz CTWDVOBHPNUZGL-GFCCVEGCSA-N 1 2 233.267 1.413 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000801944302 586281821 /nfs/dbraw/zinc/28/18/21/586281821.db2.gz RYUUYZKAMHQSGR-DOMZBBRYSA-N 1 2 247.338 1.939 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000801944302 586281823 /nfs/dbraw/zinc/28/18/23/586281823.db2.gz RYUUYZKAMHQSGR-DOMZBBRYSA-N 1 2 247.338 1.939 20 0 BDADLO C[C@H]1CN(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000839950139 586285048 /nfs/dbraw/zinc/28/50/48/586285048.db2.gz OOPWUTXMEVHLDQ-YFKTTZPYSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@H]1CN(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000839950139 586285052 /nfs/dbraw/zinc/28/50/52/586285052.db2.gz OOPWUTXMEVHLDQ-YFKTTZPYSA-N 1 2 240.347 1.168 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@@H](C)[C@@H](C)C2=O)CCO1 ZINC000839956523 586292735 /nfs/dbraw/zinc/29/27/35/586292735.db2.gz ABEVYQYGEVWOEL-IJLUTSLNSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@@H](C)[C@@H](C)C2=O)CCO1 ZINC000839956523 586292737 /nfs/dbraw/zinc/29/27/37/586292737.db2.gz ABEVYQYGEVWOEL-IJLUTSLNSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1C[N@H+](CN2C[C@H](C)[C@@H](C)C2=O)CCO1 ZINC000839956525 586292947 /nfs/dbraw/zinc/29/29/47/586292947.db2.gz ABEVYQYGEVWOEL-QJPTWQEYSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2C[C@H](C)[C@@H](C)C2=O)CCO1 ZINC000839956525 586292948 /nfs/dbraw/zinc/29/29/48/586292948.db2.gz ABEVYQYGEVWOEL-QJPTWQEYSA-N 1 2 240.347 1.169 20 0 BDADLO CCO[C@@H](CC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802232529 586297172 /nfs/dbraw/zinc/29/71/72/586297172.db2.gz JSUXSHNQAUXMLE-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO CCO[C@@H](CC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802232529 586297174 /nfs/dbraw/zinc/29/71/74/586297174.db2.gz JSUXSHNQAUXMLE-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO Cc1ncoc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240895 586298643 /nfs/dbraw/zinc/29/86/43/586298643.db2.gz GLFXGKLVEQWMPU-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO Cc1ncoc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240895 586298644 /nfs/dbraw/zinc/29/86/44/586298644.db2.gz GLFXGKLVEQWMPU-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO Cn1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1 ZINC000802244333 586298723 /nfs/dbraw/zinc/29/87/23/586298723.db2.gz NLQSILITQUGESV-NSHDSACASA-N 1 2 240.278 1.226 20 0 BDADLO Cn1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1 ZINC000802244333 586298724 /nfs/dbraw/zinc/29/87/24/586298724.db2.gz NLQSILITQUGESV-NSHDSACASA-N 1 2 240.278 1.226 20 0 BDADLO CC(C)(C)OCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239719 586298732 /nfs/dbraw/zinc/29/87/32/586298732.db2.gz XWAIUBCEJZDDNL-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO CC(C)(C)OCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239719 586298733 /nfs/dbraw/zinc/29/87/33/586298733.db2.gz XWAIUBCEJZDDNL-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO C[C@@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCCO1 ZINC000802243485 586298747 /nfs/dbraw/zinc/29/87/47/586298747.db2.gz GOEDPFTUXLAIJX-JQWIXIFHSA-N 1 2 245.294 1.143 20 0 BDADLO C[C@@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCCO1 ZINC000802243485 586298748 /nfs/dbraw/zinc/29/87/48/586298748.db2.gz GOEDPFTUXLAIJX-JQWIXIFHSA-N 1 2 245.294 1.143 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCCCO1 ZINC000802242637 586299263 /nfs/dbraw/zinc/29/92/63/586299263.db2.gz NKILSDUFVBTYNY-WDEREUQCSA-N 1 2 245.294 1.143 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CCCCO1 ZINC000802242637 586299265 /nfs/dbraw/zinc/29/92/65/586299265.db2.gz NKILSDUFVBTYNY-WDEREUQCSA-N 1 2 245.294 1.143 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCCCO1 ZINC000802242634 586299350 /nfs/dbraw/zinc/29/93/50/586299350.db2.gz NKILSDUFVBTYNY-GHMZBOCLSA-N 1 2 245.294 1.143 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCCCO1 ZINC000802242634 586299352 /nfs/dbraw/zinc/29/93/52/586299352.db2.gz NKILSDUFVBTYNY-GHMZBOCLSA-N 1 2 245.294 1.143 20 0 BDADLO CC1(C)C[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)CCO1 ZINC000839965380 586304724 /nfs/dbraw/zinc/30/47/24/586304724.db2.gz VAHWXNGTMKOKNW-MNOVXSKESA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)CCO1 ZINC000839965380 586304726 /nfs/dbraw/zinc/30/47/26/586304726.db2.gz VAHWXNGTMKOKNW-MNOVXSKESA-N 1 2 238.331 1.066 20 0 BDADLO FC(F)[C@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000802653792 586308106 /nfs/dbraw/zinc/30/81/06/586308106.db2.gz STBQIMNYLHDEKR-SNVBAGLBSA-N 1 2 233.258 1.299 20 0 BDADLO FC(F)[C@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000802653792 586308107 /nfs/dbraw/zinc/30/81/07/586308107.db2.gz STBQIMNYLHDEKR-SNVBAGLBSA-N 1 2 233.258 1.299 20 0 BDADLO Cn1ncc(C[N@@H+]2CCCC(F)(F)CC2)n1 ZINC000859541386 589043755 /nfs/dbraw/zinc/04/37/55/589043755.db2.gz YCAYELSXYXFXJV-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO Cn1ncc(C[N@H+]2CCCC(F)(F)CC2)n1 ZINC000859541386 589043757 /nfs/dbraw/zinc/04/37/57/589043757.db2.gz YCAYELSXYXFXJV-UHFFFAOYSA-N 1 2 230.262 1.436 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335672 586390934 /nfs/dbraw/zinc/39/09/34/586390934.db2.gz CZIVITGGPLSMCG-MRVPVSSYSA-N 1 2 225.267 1.062 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804334035 586390956 /nfs/dbraw/zinc/39/09/56/586390956.db2.gz WKQVKACHQOYQMM-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCC(C)(C)C2=O)C[C@@H]1F ZINC000840043924 586392642 /nfs/dbraw/zinc/39/26/42/586392642.db2.gz WKSLXSFQNQMOCX-QWRGUYRKSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCC(C)(C)C2=O)C[C@@H]1F ZINC000840043924 586392644 /nfs/dbraw/zinc/39/26/44/586392644.db2.gz WKSLXSFQNQMOCX-QWRGUYRKSA-N 1 2 242.338 1.882 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cc(Cl)[nH]n1 ZINC000807121882 586423839 /nfs/dbraw/zinc/42/38/39/586423839.db2.gz MVHNSTRIEUXBGL-UHFFFAOYSA-N 1 2 239.666 1.358 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2COC)C1 ZINC000840084386 586424645 /nfs/dbraw/zinc/42/46/45/586424645.db2.gz RUXRLJMXGRRDMJ-VXGBXAGGSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H]2COC)C1 ZINC000840084386 586424647 /nfs/dbraw/zinc/42/46/47/586424647.db2.gz RUXRLJMXGRRDMJ-VXGBXAGGSA-N 1 2 240.347 1.313 20 0 BDADLO C[N@H+](C/C=C/Cl)CC(=O)NCc1ccco1 ZINC000807264072 586431263 /nfs/dbraw/zinc/43/12/63/586431263.db2.gz ZPCQHJRJBYPDFP-HWKANZROSA-N 1 2 242.706 1.580 20 0 BDADLO C[N@@H+](C/C=C/Cl)CC(=O)NCc1ccco1 ZINC000807264072 586431264 /nfs/dbraw/zinc/43/12/64/586431264.db2.gz ZPCQHJRJBYPDFP-HWKANZROSA-N 1 2 242.706 1.580 20 0 BDADLO CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000840099974 586445937 /nfs/dbraw/zinc/44/59/37/586445937.db2.gz RATQBFOZLGIFDT-JQWIXIFHSA-N 1 2 244.310 1.015 20 0 BDADLO CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000840099974 586445939 /nfs/dbraw/zinc/44/59/39/586445939.db2.gz RATQBFOZLGIFDT-JQWIXIFHSA-N 1 2 244.310 1.015 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2CCSC2=O)C1 ZINC000840100564 586446025 /nfs/dbraw/zinc/44/60/25/586446025.db2.gz NCOIQRPVOLAZCW-JTQLQIEISA-N 1 2 232.324 1.937 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2CCSC2=O)C1 ZINC000840100564 586446026 /nfs/dbraw/zinc/44/60/26/586446026.db2.gz NCOIQRPVOLAZCW-JTQLQIEISA-N 1 2 232.324 1.937 20 0 BDADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@H](F)C2)[C@@H]1C1CC1 ZINC000840102628 586446661 /nfs/dbraw/zinc/44/66/61/586446661.db2.gz XWUZORCTFZHJOP-WDEREUQCSA-N 1 2 240.322 1.635 20 0 BDADLO CC1(C)C(=O)N(C[N@H+]2CC[C@H](F)C2)[C@@H]1C1CC1 ZINC000840102628 586446663 /nfs/dbraw/zinc/44/66/63/586446663.db2.gz XWUZORCTFZHJOP-WDEREUQCSA-N 1 2 240.322 1.635 20 0 BDADLO F[C@H]1CC[N@H+](Cn2nccc2-c2cccnc2)C1 ZINC000840103242 586446969 /nfs/dbraw/zinc/44/69/69/586446969.db2.gz LNMOGRUTRQURNA-LBPRGKRZSA-N 1 2 246.289 1.946 20 0 BDADLO F[C@H]1CC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000840103242 586446970 /nfs/dbraw/zinc/44/69/70/586446970.db2.gz LNMOGRUTRQURNA-LBPRGKRZSA-N 1 2 246.289 1.946 20 0 BDADLO C[C@@H]1OCC[N@H+](CN2CC(C)(C)CC2=O)[C@H]1C ZINC000808171298 586466544 /nfs/dbraw/zinc/46/65/44/586466544.db2.gz KHFSCQBILXBYPE-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1OCC[N@@H+](CN2CC(C)(C)CC2=O)[C@H]1C ZINC000808171298 586466546 /nfs/dbraw/zinc/46/65/46/586466546.db2.gz KHFSCQBILXBYPE-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO COc1cncc(CO[NH+]=C(N)[C@@H](C)OC)c1 ZINC000808258442 586468594 /nfs/dbraw/zinc/46/85/94/586468594.db2.gz JWAWSPBKKGPTEP-MRVPVSSYSA-N 1 2 239.275 1.124 20 0 BDADLO CC(C)C(=O)CCN1CC[NH+](C2CC2)CC1 ZINC000808714209 586483582 /nfs/dbraw/zinc/48/35/82/586483582.db2.gz XWLWLXWREMNXHU-UHFFFAOYSA-N 1 2 224.348 1.382 20 0 BDADLO CCOC(=O)C[N@H+](CCC(=O)C(C)C)C1CC1 ZINC000808719495 586484269 /nfs/dbraw/zinc/48/42/69/586484269.db2.gz XKOFLJWZELDAPY-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(=O)C(C)C)C1CC1 ZINC000808719495 586484270 /nfs/dbraw/zinc/48/42/70/586484270.db2.gz XKOFLJWZELDAPY-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO CC(C)C(=O)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000808753369 586488441 /nfs/dbraw/zinc/48/84/41/586488441.db2.gz YIPGVBGFCXEONF-CDMJZVDBSA-N 1 2 245.388 1.443 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000808753369 586488443 /nfs/dbraw/zinc/48/84/43/586488443.db2.gz YIPGVBGFCXEONF-CDMJZVDBSA-N 1 2 245.388 1.443 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2nonc2C)c1C ZINC000809743721 586516098 /nfs/dbraw/zinc/51/60/98/586516098.db2.gz BEFFEACZPCUDJW-UHFFFAOYSA-N 1 2 249.318 1.501 20 0 BDADLO CC(C)[N@H+](Cc1cnn(C)n1)Cc1ccccn1 ZINC000809936254 586523805 /nfs/dbraw/zinc/52/38/05/586523805.db2.gz UEKLGJYCEOHVMY-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO CC(C)[N@@H+](Cc1cnn(C)n1)Cc1ccccn1 ZINC000809936254 586523807 /nfs/dbraw/zinc/52/38/07/586523807.db2.gz UEKLGJYCEOHVMY-UHFFFAOYSA-N 1 2 245.330 1.621 20 0 BDADLO C[NH+]1CCN(C(=O)C2(F)CCCCC2)CC1 ZINC000809934470 586524561 /nfs/dbraw/zinc/52/45/61/586524561.db2.gz CIIOOUWNZJVWDF-UHFFFAOYSA-N 1 2 228.311 1.433 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cnn(C)n2)CCS1 ZINC000809951172 586526069 /nfs/dbraw/zinc/52/60/69/586526069.db2.gz ZPGGQDUJQMWMJC-LLVKDONJSA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cnn(C)n2)CCS1 ZINC000809951172 586526071 /nfs/dbraw/zinc/52/60/71/586526071.db2.gz ZPGGQDUJQMWMJC-LLVKDONJSA-N 1 2 240.376 1.389 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000809968168 586527136 /nfs/dbraw/zinc/52/71/36/586527136.db2.gz PMNFAMQRZWFCER-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000809968168 586527137 /nfs/dbraw/zinc/52/71/37/586527137.db2.gz PMNFAMQRZWFCER-ZETCQYMHSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000809968167 586527313 /nfs/dbraw/zinc/52/73/13/586527313.db2.gz PMNFAMQRZWFCER-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000809968167 586527316 /nfs/dbraw/zinc/52/73/16/586527316.db2.gz PMNFAMQRZWFCER-SSDOTTSWSA-N 1 2 234.225 1.199 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn(C)n1)c1c(C)noc1C ZINC000809975186 586527890 /nfs/dbraw/zinc/52/78/90/586527890.db2.gz ACBWZEVTGKBGTD-NSHDSACASA-N 1 2 249.318 1.661 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cccnc1C ZINC000809996708 586528275 /nfs/dbraw/zinc/52/82/75/586528275.db2.gz LQUPKYNXQPRILM-VIFPVBQESA-N 1 2 223.276 1.423 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cnn(C)n2)ccn1 ZINC000810017953 586531365 /nfs/dbraw/zinc/53/13/65/586531365.db2.gz ARJKJFFCWDCAFN-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000810204603 586536492 /nfs/dbraw/zinc/53/64/92/586536492.db2.gz BKQWATRFJFHXRJ-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC000810204603 586536495 /nfs/dbraw/zinc/53/64/95/586536495.db2.gz BKQWATRFJFHXRJ-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204603 586536497 /nfs/dbraw/zinc/53/64/97/586536497.db2.gz BKQWATRFJFHXRJ-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204603 586536499 /nfs/dbraw/zinc/53/64/99/586536499.db2.gz BKQWATRFJFHXRJ-RQJHMYQMSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000810204601 586536773 /nfs/dbraw/zinc/53/67/73/586536773.db2.gz BKQWATRFJFHXRJ-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000810204601 586536774 /nfs/dbraw/zinc/53/67/74/586536774.db2.gz BKQWATRFJFHXRJ-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204601 586536776 /nfs/dbraw/zinc/53/67/76/586536776.db2.gz BKQWATRFJFHXRJ-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000810204601 586536777 /nfs/dbraw/zinc/53/67/77/586536777.db2.gz BKQWATRFJFHXRJ-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO C[C@@H](O)CSCc1cc[nH+]c(N(C)C)c1 ZINC000840212608 586548499 /nfs/dbraw/zinc/54/84/99/586548499.db2.gz YFYLHVILWPBBTM-SECBINFHSA-N 1 2 226.345 1.762 20 0 BDADLO COC1(COC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000811169232 586556204 /nfs/dbraw/zinc/55/62/04/586556204.db2.gz FNPMLACFAMQSIN-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COC1(COC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000811169232 586556205 /nfs/dbraw/zinc/55/62/05/586556205.db2.gz FNPMLACFAMQSIN-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cn(C)cn1 ZINC000811227670 586557590 /nfs/dbraw/zinc/55/75/90/586557590.db2.gz UAYPEBNOSORLPM-UHFFFAOYSA-N 1 2 247.254 1.181 20 0 BDADLO CCc1ccc(C(=O)NCc2c[nH+]cn2C)s1 ZINC000811589106 586561840 /nfs/dbraw/zinc/56/18/40/586561840.db2.gz JUEFXTHATUDGEN-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000812349351 586574314 /nfs/dbraw/zinc/57/43/14/586574314.db2.gz MSXLQVSYYBVUEH-NXEZZACHSA-N 1 2 247.298 1.488 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOC/C=C/Cl ZINC000812403921 586576007 /nfs/dbraw/zinc/57/60/07/586576007.db2.gz UFNFCIYKAMBEPB-HNQUOIGGSA-N 1 2 229.667 1.074 20 0 BDADLO Cn1cc[nH+]c1CNc1ncc2c(n1)CCCC2 ZINC000840255594 586577845 /nfs/dbraw/zinc/57/78/45/586577845.db2.gz KDFZDZFQJHPWFB-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000812876498 586588398 /nfs/dbraw/zinc/58/83/98/586588398.db2.gz FWVFEWWBCFRBAS-LLVKDONJSA-N 1 2 240.347 1.757 20 0 BDADLO COC[C@@H](C)[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000813072419 586589848 /nfs/dbraw/zinc/58/98/48/586589848.db2.gz HKVZGQNFUXMXHB-ZJUUUORDSA-N 1 2 240.303 1.382 20 0 BDADLO CC(C)(C)C[C@@H](O)CC(=O)NC1=[NH+]CCS1 ZINC000813378477 586601630 /nfs/dbraw/zinc/60/16/30/586601630.db2.gz PVJBBFSFFUSYTJ-QMMMGPOBSA-N 1 2 244.360 1.393 20 0 BDADLO COC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000813593991 586604095 /nfs/dbraw/zinc/60/40/95/586604095.db2.gz ICZHFPTYPIGCBV-UHFFFAOYSA-N 1 2 246.270 1.228 20 0 BDADLO CN(CCC[NH+](C)C)C(=O)[C@H](F)C(F)(F)F ZINC000815951348 586699617 /nfs/dbraw/zinc/69/96/17/586699617.db2.gz AZEWTLZCKSKPIJ-ZETCQYMHSA-N 1 2 244.232 1.297 20 0 BDADLO CN(CCC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000815951348 586699618 /nfs/dbraw/zinc/69/96/18/586699618.db2.gz AZEWTLZCKSKPIJ-ZETCQYMHSA-N 1 2 244.232 1.297 20 0 BDADLO CC[C@@H](NC(=O)c1cc(C=O)c[nH]1)c1[nH]cc[nH+]1 ZINC000816144293 586710884 /nfs/dbraw/zinc/71/08/84/586710884.db2.gz SROVTLJNCIXQAR-SECBINFHSA-N 1 2 246.270 1.431 20 0 BDADLO Cc1nocc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000816515427 586738085 /nfs/dbraw/zinc/73/80/85/586738085.db2.gz ZDYNNQJZPVWWFM-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO C[NH+](C)C1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000816524203 586738185 /nfs/dbraw/zinc/73/81/85/586738185.db2.gz WKCKXBCCCQMRKL-KPGICGJXSA-N 1 2 242.216 1.096 20 0 BDADLO C[NH+](C)C1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC000816524203 586738188 /nfs/dbraw/zinc/73/81/88/586738188.db2.gz WKCKXBCCCQMRKL-KPGICGJXSA-N 1 2 242.216 1.096 20 0 BDADLO C[NH+]1CCC(ONC(=O)[C@@H]2CCCS2)CC1 ZINC000816533977 586739158 /nfs/dbraw/zinc/73/91/58/586739158.db2.gz RNLCAOHQFGETAP-JTQLQIEISA-N 1 2 244.360 1.024 20 0 BDADLO c1nc(C[NH+]2CCC3(CC2)OCCCO3)co1 ZINC000816645020 586748103 /nfs/dbraw/zinc/74/81/03/586748103.db2.gz DGGMIWPVLCEUEH-UHFFFAOYSA-N 1 2 238.287 1.404 20 0 BDADLO C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C[NH+](C)C ZINC000816721545 586760524 /nfs/dbraw/zinc/76/05/24/586760524.db2.gz FOACDZSICKSHDM-BQBZGAKWSA-N 1 2 244.232 1.201 20 0 BDADLO C[C@@H](CNC(=O)C(F)C(F)(F)F)C[NH+](C)C ZINC000816721545 586760525 /nfs/dbraw/zinc/76/05/25/586760525.db2.gz FOACDZSICKSHDM-BQBZGAKWSA-N 1 2 244.232 1.201 20 0 BDADLO Cc1cccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000816821880 586764716 /nfs/dbraw/zinc/76/47/16/586764716.db2.gz PPJLDQVVFMKIEC-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO CCONC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816831256 586767001 /nfs/dbraw/zinc/76/70/01/586767001.db2.gz MALPLMGRJHSLRX-CYBMUJFWSA-N 1 2 248.326 1.576 20 0 BDADLO CCONC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816831256 586767002 /nfs/dbraw/zinc/76/70/02/586767002.db2.gz MALPLMGRJHSLRX-CYBMUJFWSA-N 1 2 248.326 1.576 20 0 BDADLO C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816910155 586770698 /nfs/dbraw/zinc/77/06/98/586770698.db2.gz VSQDSOCPZFWCEI-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO C[C@H](c1ccncc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816907098 586770728 /nfs/dbraw/zinc/77/07/28/586770728.db2.gz HYHREFWFHOAMMF-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccncc1 ZINC000816934290 586772175 /nfs/dbraw/zinc/77/21/75/586772175.db2.gz SSUBJNWRSFFHEP-LLVKDONJSA-N 1 2 244.298 1.615 20 0 BDADLO COCc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816974053 586775837 /nfs/dbraw/zinc/77/58/37/586775837.db2.gz PUWOUAWKWULNGG-UHFFFAOYSA-N 1 2 245.282 1.737 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1=CCCCO1 ZINC000817087693 586781147 /nfs/dbraw/zinc/78/11/47/586781147.db2.gz WWXTWJOFXAXTPQ-UHFFFAOYSA-N 1 2 248.282 1.401 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817197588 586785276 /nfs/dbraw/zinc/78/52/76/586785276.db2.gz CLSDUGFTUFNUEF-TUAOUCFPSA-N 1 2 248.326 1.942 20 0 BDADLO CC[C@@H]1C[NH+](Cc2nonc2C)C[C@@H](CC)O1 ZINC000817280398 586792133 /nfs/dbraw/zinc/79/21/33/586792133.db2.gz FCMYPUXVQMXCMX-GHMZBOCLSA-N 1 2 239.319 1.767 20 0 BDADLO COC1CC(C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000859846707 589066123 /nfs/dbraw/zinc/06/61/23/589066123.db2.gz FTZORBQZXWVFGM-UHFFFAOYSA-N 1 2 236.271 1.132 20 0 BDADLO COc1cc(Cl)ccc1OC(=O)C[NH+](C)C ZINC000817657819 586815875 /nfs/dbraw/zinc/81/58/75/586815875.db2.gz QAUMMCPDBDQIGX-UHFFFAOYSA-N 1 2 243.690 1.816 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)n(C)n1 ZINC000859908860 589070346 /nfs/dbraw/zinc/07/03/46/589070346.db2.gz QIVCJXFZQSRCMD-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CCF)C2)n(C)n1 ZINC000859908860 589070348 /nfs/dbraw/zinc/07/03/48/589070348.db2.gz QIVCJXFZQSRCMD-LBPRGKRZSA-N 1 2 241.310 1.289 20 0 BDADLO COc1cccc2c1C[N@@H+]([C@H]1CCOC1=O)C2 ZINC000859937407 589071934 /nfs/dbraw/zinc/07/19/34/589071934.db2.gz CVGWKLOKZQVVPD-NSHDSACASA-N 1 2 233.267 1.326 20 0 BDADLO COc1cccc2c1C[N@H+]([C@H]1CCOC1=O)C2 ZINC000859937407 589071936 /nfs/dbraw/zinc/07/19/36/589071936.db2.gz CVGWKLOKZQVVPD-NSHDSACASA-N 1 2 233.267 1.326 20 0 BDADLO COc1cccc2c1C[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000859937406 589072348 /nfs/dbraw/zinc/07/23/48/589072348.db2.gz CVGWKLOKZQVVPD-LLVKDONJSA-N 1 2 233.267 1.326 20 0 BDADLO COc1cccc2c1C[N@H+]([C@@H]1CCOC1=O)C2 ZINC000859937406 589072350 /nfs/dbraw/zinc/07/23/50/589072350.db2.gz CVGWKLOKZQVVPD-LLVKDONJSA-N 1 2 233.267 1.326 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000818345270 586887674 /nfs/dbraw/zinc/88/76/74/586887674.db2.gz SPYRRRCJHZLHJP-JTQLQIEISA-N 1 2 245.330 1.852 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/[C@H]1CCCO1 ZINC000819022140 586924470 /nfs/dbraw/zinc/92/44/70/586924470.db2.gz CGJBOXPUEDFZPX-MVIFTORASA-N 1 2 249.314 1.114 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=C[C@@H]1CCCO1 ZINC000819283399 586947759 /nfs/dbraw/zinc/94/77/59/586947759.db2.gz JYNXTSUXFHVIHR-FJOGCWAESA-N 1 2 246.310 1.740 20 0 BDADLO CC1(C)Cc2cc([NH2+]CCC(N)=O)ccc2O1 ZINC000819457908 586966248 /nfs/dbraw/zinc/96/62/48/586966248.db2.gz FVRCPEYUFIHTFD-UHFFFAOYSA-N 1 2 234.299 1.687 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccns2)[nH]1 ZINC000860060857 589077748 /nfs/dbraw/zinc/07/77/48/589077748.db2.gz BSQUYIRWZQCSMX-NKWVEPMBSA-N 1 2 237.332 1.981 20 0 BDADLO CC[C@H](NC(=O)/C=C/[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498383 586970380 /nfs/dbraw/zinc/97/03/80/586970380.db2.gz FOROEGXJHFZAEL-PVTPVBHGSA-N 1 2 249.314 1.712 20 0 BDADLO CC[C@H](NC(=O)C=C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498383 586970381 /nfs/dbraw/zinc/97/03/81/586970381.db2.gz FOROEGXJHFZAEL-PVTPVBHGSA-N 1 2 249.314 1.712 20 0 BDADLO CC[C@H](NC(=O)/C=C\[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498381 586970466 /nfs/dbraw/zinc/97/04/66/586970466.db2.gz FOROEGXJHFZAEL-MXFLAHGMSA-N 1 2 249.314 1.712 20 0 BDADLO CC[C@H](NC(=O)C=C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000819498381 586970468 /nfs/dbraw/zinc/97/04/68/586970468.db2.gz FOROEGXJHFZAEL-MXFLAHGMSA-N 1 2 249.314 1.712 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccns1 ZINC000860062377 589078549 /nfs/dbraw/zinc/07/85/49/589078549.db2.gz WAGKLPVEYQZEAA-ZCFIWIBFSA-N 1 2 209.278 1.112 20 0 BDADLO CC[C@H](SC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775719 586992257 /nfs/dbraw/zinc/99/22/57/586992257.db2.gz FWGIZJGURSRYLN-RQJHMYQMSA-N 1 2 232.374 1.736 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)[C@H]2CC2(C)C)S1 ZINC000819777391 586992844 /nfs/dbraw/zinc/99/28/44/586992844.db2.gz RQFLTILFLMFOBR-RNFRBKRXSA-N 1 2 212.318 1.640 20 0 BDADLO CC1=C(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000819967643 587008518 /nfs/dbraw/zinc/00/85/18/587008518.db2.gz JQZDFMSYDDNZBI-UHFFFAOYSA-N 1 2 247.298 1.379 20 0 BDADLO CC1=C(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000819967643 587008521 /nfs/dbraw/zinc/00/85/21/587008521.db2.gz JQZDFMSYDDNZBI-UHFFFAOYSA-N 1 2 247.298 1.379 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC2(C)C)[nH+]1 ZINC000820177186 587032074 /nfs/dbraw/zinc/03/20/74/587032074.db2.gz OYXNOIAEKMPQEA-UHFFFAOYSA-N 1 2 221.304 1.526 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000820238488 587037750 /nfs/dbraw/zinc/03/77/50/587037750.db2.gz QMPGVAVSQPILTL-GHMZBOCLSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000820238488 587037752 /nfs/dbraw/zinc/03/77/52/587037752.db2.gz QMPGVAVSQPILTL-GHMZBOCLSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820238075 587037976 /nfs/dbraw/zinc/03/79/76/587037976.db2.gz JSRLXRNEAWYPBD-GMTAPVOTSA-N 1 2 237.303 1.239 20 0 BDADLO C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820238075 587037978 /nfs/dbraw/zinc/03/79/78/587037978.db2.gz JSRLXRNEAWYPBD-GMTAPVOTSA-N 1 2 237.303 1.239 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1[nH]cc[nH+]1 ZINC000820267839 587039290 /nfs/dbraw/zinc/03/92/90/587039290.db2.gz KGBYHRNJODTMJX-RITPCOANSA-N 1 2 248.113 1.781 20 0 BDADLO Cc1cnc(N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000820598227 587058022 /nfs/dbraw/zinc/05/80/22/587058022.db2.gz AGENFLDVFRLCBM-UHFFFAOYSA-N 1 2 244.298 1.705 20 0 BDADLO Cc1cnc(N[C@H](C)C[NH+]2CCOCC2)o1 ZINC000820630477 587060294 /nfs/dbraw/zinc/06/02/94/587060294.db2.gz USILETDWIGFASC-SECBINFHSA-N 1 2 225.292 1.116 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2cc[nH]n2)on1 ZINC000820809852 587074155 /nfs/dbraw/zinc/07/41/55/587074155.db2.gz JEKZSUAJHRIZMA-ZETCQYMHSA-N 1 2 222.248 1.257 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000820858416 587077862 /nfs/dbraw/zinc/07/78/62/587077862.db2.gz YEAGMXJTJMYGCI-UFFNRZRYSA-N 1 2 236.271 1.162 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC[C@H]2C(F)F)c1 ZINC000820869610 587078373 /nfs/dbraw/zinc/07/83/73/587078373.db2.gz WMOLJMIZXAMGPC-HPOULIHZSA-N 1 2 241.241 1.299 20 0 BDADLO Cc1cccn2c(C[N@@H+](C)[C@H](C)C(=O)[O-])c[nH+]c12 ZINC000821125277 587097669 /nfs/dbraw/zinc/09/76/69/587097669.db2.gz CNUKHGSPVOWRJD-SNVBAGLBSA-N 1 2 247.298 1.548 20 0 BDADLO Cc1cccn2c(C[N@H+](C)[C@H](C)C(=O)[O-])c[nH+]c12 ZINC000821125277 587097671 /nfs/dbraw/zinc/09/76/71/587097671.db2.gz CNUKHGSPVOWRJD-SNVBAGLBSA-N 1 2 247.298 1.548 20 0 BDADLO Cc1c[nH+]ccc1CC[NH2+][C@H](C)CC(=O)[O-] ZINC000821140801 587097936 /nfs/dbraw/zinc/09/79/36/587097936.db2.gz DYKSYDNLYOYTDR-SNVBAGLBSA-N 1 2 222.288 1.385 20 0 BDADLO COC(=O)CC1(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC000821257579 587103742 /nfs/dbraw/zinc/10/37/42/587103742.db2.gz ANFWOOYKZAHQJB-UHFFFAOYSA-N 1 2 246.310 1.741 20 0 BDADLO COC(=O)CC1(C[N@H+]2Cc3ccncc3C2)CC1 ZINC000821257579 587103744 /nfs/dbraw/zinc/10/37/44/587103744.db2.gz ANFWOOYKZAHQJB-UHFFFAOYSA-N 1 2 246.310 1.741 20 0 BDADLO C[C@H]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000821295887 587105632 /nfs/dbraw/zinc/10/56/32/587105632.db2.gz ZMMWKMHOUJYALC-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[C@H]1OC ZINC000821308099 587106286 /nfs/dbraw/zinc/10/62/86/587106286.db2.gz KGRLRDZYRRMHME-OPRDCNLKSA-N 1 2 237.303 1.115 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@](C)(O)CC ZINC000821308055 587106393 /nfs/dbraw/zinc/10/63/93/587106393.db2.gz JMSKGLWWBBDCJT-CABZTGNLSA-N 1 2 239.319 1.241 20 0 BDADLO CCC[C@H](O)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000821309330 587106438 /nfs/dbraw/zinc/10/64/38/587106438.db2.gz RLZHCHPMKWXLQC-UWVGGRQHSA-N 1 2 239.319 1.241 20 0 BDADLO CC/C=C/CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821307406 587106600 /nfs/dbraw/zinc/10/66/00/587106600.db2.gz FWDYXZQTTGIORK-DEQVHDEQSA-N 1 2 219.288 1.516 20 0 BDADLO O=C(NN1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821344397 587110112 /nfs/dbraw/zinc/11/01/12/587110112.db2.gz RQBOXWPCIHOXIW-NXEZZACHSA-N 1 2 234.303 1.030 20 0 BDADLO O=C(NN1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821344397 587110114 /nfs/dbraw/zinc/11/01/14/587110114.db2.gz RQBOXWPCIHOXIW-NXEZZACHSA-N 1 2 234.303 1.030 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H]1CCC(=O)O1 ZINC000821368120 587112700 /nfs/dbraw/zinc/11/27/00/587112700.db2.gz KASRUMBQNXZVPG-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H]1CCC(=O)O1 ZINC000821368120 587112702 /nfs/dbraw/zinc/11/27/02/587112702.db2.gz KASRUMBQNXZVPG-QMMMGPOBSA-N 1 2 221.247 1.669 20 0 BDADLO CO[C@H](C)C(=O)OCCc1cn2ccccc2[nH+]1 ZINC000821595644 587131454 /nfs/dbraw/zinc/13/14/54/587131454.db2.gz FRKIBRHXEBUQJB-SNVBAGLBSA-N 1 2 248.282 1.455 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@H](C)C2CC2)no1 ZINC000822876386 587191219 /nfs/dbraw/zinc/19/12/19/587191219.db2.gz ZBAPHXRHTMOTBK-SVRRBLITSA-N 1 2 211.265 1.229 20 0 BDADLO CCC[C@H](CC)C(=O)NCc1c[nH+]cn1C ZINC000822997717 587197317 /nfs/dbraw/zinc/19/73/17/587197317.db2.gz NWKJEKLDLCAFSN-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO CC(C)=CC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823056669 587200189 /nfs/dbraw/zinc/20/01/89/587200189.db2.gz FENAWRJPEHPGPJ-UHFFFAOYSA-N 1 2 248.330 1.020 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC2C[C@H]3C[C@H]3C2)c1 ZINC000823312627 587215827 /nfs/dbraw/zinc/21/58/27/587215827.db2.gz KJXGUOASWYNECN-XMGPGXISSA-N 1 2 231.299 1.348 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000823458938 587223376 /nfs/dbraw/zinc/22/33/76/587223376.db2.gz KGFLRDZBUYTFRM-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000823458938 587223378 /nfs/dbraw/zinc/22/33/78/587223378.db2.gz KGFLRDZBUYTFRM-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCCOC[C@H]2C)n1 ZINC000823458939 587223503 /nfs/dbraw/zinc/22/35/03/587223503.db2.gz KGFLRDZBUYTFRM-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCCOC[C@H]2C)n1 ZINC000823458939 587223504 /nfs/dbraw/zinc/22/35/04/587223504.db2.gz KGFLRDZBUYTFRM-SNVBAGLBSA-N 1 2 238.335 1.217 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823477505 587225285 /nfs/dbraw/zinc/22/52/85/587225285.db2.gz SHEPAJIMNWDLMX-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823477505 587225287 /nfs/dbraw/zinc/22/52/87/587225287.db2.gz SHEPAJIMNWDLMX-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO CCC[C@H](CC)C(=O)NCCc1cn(C)c[nH+]1 ZINC000823509733 587228679 /nfs/dbraw/zinc/22/86/79/587228679.db2.gz JGHHAONXNVNJKI-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C=CCC1 ZINC000823628760 587233082 /nfs/dbraw/zinc/23/30/82/587233082.db2.gz ZJJBOBPKITXVOS-RISCZKNCSA-N 1 2 245.326 1.670 20 0 BDADLO CCON(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000823793075 587240394 /nfs/dbraw/zinc/24/03/94/587240394.db2.gz KDBGBIQYUBZTAL-QMMMGPOBSA-N 1 2 226.280 1.074 20 0 BDADLO CCn1nc(C)c(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000824313882 587265926 /nfs/dbraw/zinc/26/59/26/587265926.db2.gz CZIBOFKCNANCLP-DTORHVGOSA-N 1 2 208.309 1.589 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000824313882 587265927 /nfs/dbraw/zinc/26/59/27/587265927.db2.gz CZIBOFKCNANCLP-DTORHVGOSA-N 1 2 208.309 1.589 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)C[C@H](C)OC)n1 ZINC000824377153 587268046 /nfs/dbraw/zinc/26/80/46/587268046.db2.gz VZXUPUVTXMHANU-VIFPVBQESA-N 1 2 226.324 1.073 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)C[C@H](C)OC)n1 ZINC000824377153 587268047 /nfs/dbraw/zinc/26/80/47/587268047.db2.gz VZXUPUVTXMHANU-VIFPVBQESA-N 1 2 226.324 1.073 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC000824370915 587268297 /nfs/dbraw/zinc/26/82/97/587268297.db2.gz SXQGWCBHFRWEQV-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC000824370915 587268298 /nfs/dbraw/zinc/26/82/98/587268298.db2.gz SXQGWCBHFRWEQV-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000824397999 587269194 /nfs/dbraw/zinc/26/91/94/587269194.db2.gz FTQJHVCLXYOZQB-XTYWZOAOSA-N 1 2 245.326 1.834 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)C[C@H](C)OC)n1 ZINC000824422989 587270043 /nfs/dbraw/zinc/27/00/43/587270043.db2.gz ISWDUMUAIQIJNF-JTQLQIEISA-N 1 2 240.351 1.463 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)C[C@H](C)OC)n1 ZINC000824422989 587270045 /nfs/dbraw/zinc/27/00/45/587270045.db2.gz ISWDUMUAIQIJNF-JTQLQIEISA-N 1 2 240.351 1.463 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C12CC(C1)C2 ZINC000860273286 589093241 /nfs/dbraw/zinc/09/32/41/589093241.db2.gz VQWOBGOWPYERQK-UHFFFAOYSA-N 1 2 220.272 1.306 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000824628783 587280186 /nfs/dbraw/zinc/28/01/86/587280186.db2.gz KRYXIUGUHUOYSX-MNOVXSKESA-N 1 2 237.303 1.183 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000824628783 587280188 /nfs/dbraw/zinc/28/01/88/587280188.db2.gz KRYXIUGUHUOYSX-MNOVXSKESA-N 1 2 237.303 1.183 20 0 BDADLO CC1(C)CC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000824823398 587288823 /nfs/dbraw/zinc/28/88/23/587288823.db2.gz BHYWLFHWPMLMEJ-UHFFFAOYSA-N 1 2 220.320 1.987 20 0 BDADLO CC1(C)CC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000824823398 587288824 /nfs/dbraw/zinc/28/88/24/587288824.db2.gz BHYWLFHWPMLMEJ-UHFFFAOYSA-N 1 2 220.320 1.987 20 0 BDADLO COCC1(N(C)C(=O)/C=C/c2cn(C)c[nH+]2)CC1 ZINC000824812354 587288851 /nfs/dbraw/zinc/28/88/51/587288851.db2.gz BVVJLOAPIKZBAP-SNAWJCMRSA-N 1 2 249.314 1.071 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000825118418 587305669 /nfs/dbraw/zinc/30/56/69/587305669.db2.gz SZOADBNSOLXYMA-UEJVZZJDSA-N 1 2 235.274 1.960 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCC2=CCCC2)c1 ZINC000825660853 587329710 /nfs/dbraw/zinc/32/97/10/587329710.db2.gz BPEBSCUFKQQGJX-VOTSOKGWSA-N 1 2 231.299 1.660 20 0 BDADLO CC(C)(CNC(=O)Cc1[nH]cc[nH+]1)C(C)(F)F ZINC000825819817 587340367 /nfs/dbraw/zinc/34/03/67/587340367.db2.gz FQCJNIWECLCVAV-UHFFFAOYSA-N 1 2 245.273 1.750 20 0 BDADLO Cc1nonc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000825922295 587345468 /nfs/dbraw/zinc/34/54/68/587345468.db2.gz OIIPPDRBMWYDHH-UHFFFAOYSA-N 1 2 247.302 1.279 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C1CC1 ZINC000825963529 587347065 /nfs/dbraw/zinc/34/70/65/587347065.db2.gz LILMLOFAOFONPR-JTQLQIEISA-N 1 2 219.288 1.353 20 0 BDADLO CCCn1nccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000826113664 587351020 /nfs/dbraw/zinc/35/10/20/587351020.db2.gz OHPPKCZXCLTEDK-UHFFFAOYSA-N 1 2 237.347 1.496 20 0 BDADLO Cc1ccc(-c2nn[nH]n2)c(NC2CC=CC2)[nH+]1 ZINC000826274994 587351684 /nfs/dbraw/zinc/35/16/84/587351684.db2.gz KZLUAQWMXZJDKW-UHFFFAOYSA-N 1 2 242.286 1.701 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000826575028 587355580 /nfs/dbraw/zinc/35/55/80/587355580.db2.gz GLRQSRKRDSDZJY-YPMHNXCESA-N 1 2 245.282 1.470 20 0 BDADLO CC[C@](C)(O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000826600868 587356262 /nfs/dbraw/zinc/35/62/62/587356262.db2.gz YZUCQDRDHARSBW-ZDUSSCGKSA-N 1 2 247.298 1.742 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)nn1 ZINC000826878341 587364740 /nfs/dbraw/zinc/36/47/40/587364740.db2.gz XFAUYYSPARDKPC-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)nn1 ZINC000826878341 587364741 /nfs/dbraw/zinc/36/47/41/587364741.db2.gz XFAUYYSPARDKPC-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CSC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000827388274 587379453 /nfs/dbraw/zinc/37/94/53/587379453.db2.gz CLZFMDFQUUEWBH-UHFFFAOYSA-N 1 2 224.329 1.892 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCC1(C)CC1 ZINC000827423268 587380964 /nfs/dbraw/zinc/38/09/64/587380964.db2.gz LKLRGXQLPYTNMY-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCC1(C)CC1 ZINC000827423268 587380965 /nfs/dbraw/zinc/38/09/65/587380965.db2.gz LKLRGXQLPYTNMY-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@H]1C ZINC000827945618 587412593 /nfs/dbraw/zinc/41/25/93/587412593.db2.gz XRJJXTNGBKCARP-RNFRBKRXSA-N 1 2 241.726 1.653 20 0 BDADLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@H]1C ZINC000827945618 587412594 /nfs/dbraw/zinc/41/25/94/587412594.db2.gz XRJJXTNGBKCARP-RNFRBKRXSA-N 1 2 241.726 1.653 20 0 BDADLO C[S@](=O)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000828127817 587420854 /nfs/dbraw/zinc/42/08/54/587420854.db2.gz XJPOSINWMOGFHQ-INIZCTEOSA-N 1 2 238.356 1.425 20 0 BDADLO C[S@](=O)CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000828127817 587420855 /nfs/dbraw/zinc/42/08/55/587420855.db2.gz XJPOSINWMOGFHQ-INIZCTEOSA-N 1 2 238.356 1.425 20 0 BDADLO O=C(N[C@H]1CCC[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC000828280295 587431036 /nfs/dbraw/zinc/43/10/36/587431036.db2.gz FNFZJBQQDDOAFM-JQWIXIFHSA-N 1 2 245.282 1.206 20 0 BDADLO CCCONC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000828307633 587434001 /nfs/dbraw/zinc/43/40/01/587434001.db2.gz TUGBMUPBDYAVIX-UHFFFAOYSA-N 1 2 238.291 1.058 20 0 BDADLO CCCONC(=O)NCc1[nH+]ccn1CC ZINC000828339098 587437375 /nfs/dbraw/zinc/43/73/75/587437375.db2.gz XVGHCYAPMXAIJE-UHFFFAOYSA-N 1 2 226.280 1.044 20 0 BDADLO CSC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000828360908 587438528 /nfs/dbraw/zinc/43/85/28/587438528.db2.gz IKWGKSISGBMZTB-UHFFFAOYSA-N 1 2 213.306 1.168 20 0 BDADLO CSC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000828360908 587438529 /nfs/dbraw/zinc/43/85/29/587438529.db2.gz IKWGKSISGBMZTB-UHFFFAOYSA-N 1 2 213.306 1.168 20 0 BDADLO C[C@@H]1CC(NC(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)C1 ZINC000828453989 587443197 /nfs/dbraw/zinc/44/31/97/587443197.db2.gz MTTPKBABIRACQH-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO CC(=O)[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000828866524 587467899 /nfs/dbraw/zinc/46/78/99/587467899.db2.gz GHVBFFIQWNSXAR-NEPJUHHUSA-N 1 2 241.331 1.628 20 0 BDADLO CC(=O)[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC000828866524 587467900 /nfs/dbraw/zinc/46/79/00/587467900.db2.gz GHVBFFIQWNSXAR-NEPJUHHUSA-N 1 2 241.331 1.628 20 0 BDADLO CS[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828931485 587472937 /nfs/dbraw/zinc/47/29/37/587472937.db2.gz VQVWHBOKZXBWGC-DTWKUNHWSA-N 1 2 239.344 1.353 20 0 BDADLO CN(CCc1cccs1)C(=O)Cc1[nH]cc[nH+]1 ZINC000829119346 587483436 /nfs/dbraw/zinc/48/34/36/587483436.db2.gz SVOFUPAITAKNIT-UHFFFAOYSA-N 1 2 249.339 1.715 20 0 BDADLO C[C@H]1CCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829144011 587484827 /nfs/dbraw/zinc/48/48/27/587484827.db2.gz ALSROONRDYTOID-TYRPZCRBSA-N 1 2 205.261 1.054 20 0 BDADLO COC[C@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829142385 587484847 /nfs/dbraw/zinc/48/48/47/587484847.db2.gz AYAITAIKEDWHLY-QMMMGPOBSA-N 1 2 241.722 1.523 20 0 BDADLO COC[C@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829142385 587484848 /nfs/dbraw/zinc/48/48/48/587484848.db2.gz AYAITAIKEDWHLY-QMMMGPOBSA-N 1 2 241.722 1.523 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2C=CCC2)c1 ZINC000829150855 587485586 /nfs/dbraw/zinc/48/55/86/587485586.db2.gz PWKBSNBUGXCZKD-MLRMMBSGSA-N 1 2 231.299 1.516 20 0 BDADLO CCC1(CC)[C@@H]([NH2+]Cc2c[nH]nn2)C[C@@H]1OC ZINC000829218767 587489031 /nfs/dbraw/zinc/48/90/31/587489031.db2.gz HVBKMBOMJLHJET-QWRGUYRKSA-N 1 2 238.335 1.488 20 0 BDADLO CCC1(CC)[C@@H]([NH2+]Cc2cn[nH]n2)C[C@@H]1OC ZINC000829218767 587489033 /nfs/dbraw/zinc/48/90/33/587489033.db2.gz HVBKMBOMJLHJET-QWRGUYRKSA-N 1 2 238.335 1.488 20 0 BDADLO CC/C(C)=C/C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829398388 587495687 /nfs/dbraw/zinc/49/56/87/587495687.db2.gz CFRLIHZPDQMJRV-JXMROGBWSA-N 1 2 248.330 1.623 20 0 BDADLO CC/C(C)=C/C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829398388 587495688 /nfs/dbraw/zinc/49/56/88/587495688.db2.gz CFRLIHZPDQMJRV-JXMROGBWSA-N 1 2 248.330 1.623 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)c3ccoc3)cc2C1 ZINC000829463330 587498787 /nfs/dbraw/zinc/49/87/87/587498787.db2.gz QYJOTVTVJRKVMC-UHFFFAOYSA-N 1 2 246.270 1.174 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)c3ccoc3)cc2C1 ZINC000829463330 587498789 /nfs/dbraw/zinc/49/87/89/587498789.db2.gz QYJOTVTVJRKVMC-UHFFFAOYSA-N 1 2 246.270 1.174 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000830028520 587532389 /nfs/dbraw/zinc/53/23/89/587532389.db2.gz NKLJGMVJVRNIGH-SCZZXKLOSA-N 1 2 208.309 1.447 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000830028520 587532390 /nfs/dbraw/zinc/53/23/90/587532390.db2.gz NKLJGMVJVRNIGH-SCZZXKLOSA-N 1 2 208.309 1.447 20 0 BDADLO C[C@H]1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)CCO1 ZINC000830128835 587537278 /nfs/dbraw/zinc/53/72/78/587537278.db2.gz LIPQIIJJJJYKKX-UFFNRZRYSA-N 1 2 249.314 1.071 20 0 BDADLO C[C@@H]1COC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830223822 587542329 /nfs/dbraw/zinc/54/23/29/587542329.db2.gz VFSHFVURDRIZHV-PRHODGIISA-N 1 2 245.282 1.328 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC(F)(F)C1 ZINC000830515704 587554813 /nfs/dbraw/zinc/55/48/13/587554813.db2.gz CLBUKBLCZZYIOA-QMMMGPOBSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC2CCC1CC2 ZINC000830510043 587555132 /nfs/dbraw/zinc/55/51/32/587555132.db2.gz GGSXWQNOAWFESA-VQXHTEKXSA-N 1 2 233.315 1.647 20 0 BDADLO O[C@@H](C[N@@H+]1CC[C@@H](F)C1)c1ccc(F)cn1 ZINC000831228486 587592850 /nfs/dbraw/zinc/59/28/50/587592850.db2.gz LYCSKPFIJRYJGE-KOLCDFICSA-N 1 2 228.242 1.298 20 0 BDADLO O[C@@H](C[N@H+]1CC[C@@H](F)C1)c1ccc(F)cn1 ZINC000831228486 587592851 /nfs/dbraw/zinc/59/28/51/587592851.db2.gz LYCSKPFIJRYJGE-KOLCDFICSA-N 1 2 228.242 1.298 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)C12CCC2 ZINC000831308492 587597449 /nfs/dbraw/zinc/59/74/49/587597449.db2.gz NCOCWJAJJHDYMI-GARJFASQSA-N 1 2 239.315 1.239 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cncc(F)c1 ZINC000831760714 587631061 /nfs/dbraw/zinc/63/10/61/587631061.db2.gz JWLPZSMCQMOGRB-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO Cc1ccc(OCC[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000831760372 587631087 /nfs/dbraw/zinc/63/10/87/587631087.db2.gz YPYRYKXUZGNVLG-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccc(OCC[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000831760372 587631088 /nfs/dbraw/zinc/63/10/88/587631088.db2.gz YPYRYKXUZGNVLG-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO CC(C)C(CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000832820259 587692311 /nfs/dbraw/zinc/69/23/11/587692311.db2.gz VYGVPYJJOUSJAW-UHFFFAOYSA-N 1 2 237.347 1.997 20 0 BDADLO CC(C)CCC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833298810 587705145 /nfs/dbraw/zinc/70/51/45/587705145.db2.gz DIWBGFNMYVXFOX-JTQLQIEISA-N 1 2 221.304 1.880 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000833300242 587705209 /nfs/dbraw/zinc/70/52/09/587705209.db2.gz OLBRLEUFOYHYQS-KOLCDFICSA-N 1 2 233.315 1.880 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)n1C ZINC000833305490 587705340 /nfs/dbraw/zinc/70/53/40/587705340.db2.gz QKZRAERFUDIKLA-SNVBAGLBSA-N 1 2 244.298 1.405 20 0 BDADLO CC[C@@H](CO)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000833336774 587707009 /nfs/dbraw/zinc/70/70/09/587707009.db2.gz IHFBNTMNEGAVHB-JTQLQIEISA-N 1 2 247.298 1.177 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000834370740 587753211 /nfs/dbraw/zinc/75/32/11/587753211.db2.gz DKBIAPRMWNCXDV-DCAQKATOSA-N 1 2 249.314 1.026 20 0 BDADLO CCOC1C[NH+](C[C@H](O)c2ccccc2C)C1 ZINC000834377129 587753602 /nfs/dbraw/zinc/75/36/02/587753602.db2.gz BKOWBLJJCWANHC-AWEZNQCLSA-N 1 2 235.327 1.749 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC12CCCC2 ZINC000834426659 587754984 /nfs/dbraw/zinc/75/49/84/587754984.db2.gz DSTFMONLXHXQRP-SECBINFHSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCS1 ZINC000834626132 587761828 /nfs/dbraw/zinc/76/18/28/587761828.db2.gz HBFHMPYOQTYYDJ-BDAKNGLRSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000834626132 587761829 /nfs/dbraw/zinc/76/18/29/587761829.db2.gz HBFHMPYOQTYYDJ-BDAKNGLRSA-N 1 2 239.344 1.353 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835195043 587788392 /nfs/dbraw/zinc/78/83/92/587788392.db2.gz VUZCLWCELAAGSO-HTQZYQBOSA-N 1 2 248.204 1.662 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000835325956 587796650 /nfs/dbraw/zinc/79/66/50/587796650.db2.gz ZJNNREBGJNIQAX-MDZLAQPJSA-N 1 2 248.326 1.942 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccsn1 ZINC000835370065 587798533 /nfs/dbraw/zinc/79/85/33/587798533.db2.gz CMZBBPZOVDGJAZ-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccsn1 ZINC000835370065 587798534 /nfs/dbraw/zinc/79/85/34/587798534.db2.gz CMZBBPZOVDGJAZ-MRVPVSSYSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CC1(F)F ZINC000835372440 587798554 /nfs/dbraw/zinc/79/85/54/587798554.db2.gz UYMFIYYSUNABKN-HTQZYQBOSA-N 1 2 237.221 1.229 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CC1(F)F ZINC000835372440 587798555 /nfs/dbraw/zinc/79/85/55/587798555.db2.gz UYMFIYYSUNABKN-HTQZYQBOSA-N 1 2 237.221 1.229 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CC1(F)F ZINC000835372441 587798608 /nfs/dbraw/zinc/79/86/08/587798608.db2.gz UYMFIYYSUNABKN-JGVFFNPUSA-N 1 2 237.221 1.229 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CC1(F)F ZINC000835372441 587798609 /nfs/dbraw/zinc/79/86/09/587798609.db2.gz UYMFIYYSUNABKN-JGVFFNPUSA-N 1 2 237.221 1.229 20 0 BDADLO CCC(CC)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836196224 587828586 /nfs/dbraw/zinc/82/85/86/587828586.db2.gz GJGGEXXNJHCFLL-JTQLQIEISA-N 1 2 236.319 1.816 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836284083 587830182 /nfs/dbraw/zinc/83/01/82/587830182.db2.gz GGCPEHQVLNUFAO-VWYCJHECSA-N 1 2 248.330 1.816 20 0 BDADLO C[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000836349242 587831267 /nfs/dbraw/zinc/83/12/67/587831267.db2.gz SLVDQGPHSJYGED-ONGXEEELSA-N 1 2 248.330 1.673 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836457623 587833572 /nfs/dbraw/zinc/83/35/72/587833572.db2.gz XHACKQNUWVJDNQ-ZJUUUORDSA-N 1 2 248.330 1.816 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836520514 587834609 /nfs/dbraw/zinc/83/46/09/587834609.db2.gz ZOPVETMWIWZEDV-MXWKQRLJSA-N 1 2 248.330 1.768 20 0 BDADLO CCC/C=C/C(=O)NCc1[nH+]ccn1CC ZINC000836807584 587838306 /nfs/dbraw/zinc/83/83/06/587838306.db2.gz LOSKDGOTMBZVOH-VOTSOKGWSA-N 1 2 221.304 1.876 20 0 BDADLO CCC1(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)COC1 ZINC000836953368 587843440 /nfs/dbraw/zinc/84/34/40/587843440.db2.gz FDMPLXJTQZBQCY-UWVGGRQHSA-N 1 2 249.314 1.432 20 0 BDADLO CCC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000837262314 587862455 /nfs/dbraw/zinc/86/24/55/587862455.db2.gz YOKNDFQSLFSRHK-UHFFFAOYSA-N 1 2 229.283 1.816 20 0 BDADLO C/C(=C\C(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000837716772 587892313 /nfs/dbraw/zinc/89/23/13/587892313.db2.gz FHYLUQRYAHPLKS-JXMROGBWSA-N 1 2 233.315 1.435 20 0 BDADLO CCCNC(=S)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000840809780 587922798 /nfs/dbraw/zinc/92/27/98/587922798.db2.gz JBBGEQQHIVHUAB-DTWKUNHWSA-N 1 2 238.360 1.763 20 0 BDADLO C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000841063571 587941458 /nfs/dbraw/zinc/94/14/58/587941458.db2.gz NPUHGECHVNEPJA-JTQLQIEISA-N 1 2 247.342 1.016 20 0 BDADLO Cc1nc(CC(N)=[NH+]OCC[C@H](C)O)cs1 ZINC000842023061 587989391 /nfs/dbraw/zinc/98/93/91/587989391.db2.gz DQEBYXLNYXKFAA-ZETCQYMHSA-N 1 2 243.332 1.263 20 0 BDADLO CC[C@H](CO[NH+]=C(N)COC(C)C)OC ZINC000842025811 587990187 /nfs/dbraw/zinc/99/01/87/587990187.db2.gz UNKLILZUCQHGAE-SECBINFHSA-N 1 2 218.297 1.335 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)NOC)[C@@H]1CC1(C)C ZINC000842166571 588005687 /nfs/dbraw/zinc/00/56/87/588005687.db2.gz LWZTWWYCTKPUMO-DTWKUNHWSA-N 1 2 214.309 1.078 20 0 BDADLO NC(=[NH+]OCCC[C@H]1CCOC1)[C@@H]1CCCO1 ZINC000842650029 588048927 /nfs/dbraw/zinc/04/89/27/588048927.db2.gz IGZAOLVVCIKJPA-QWRGUYRKSA-N 1 2 242.319 1.481 20 0 BDADLO CC(C)CCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655899 588050355 /nfs/dbraw/zinc/05/03/55/588050355.db2.gz JKURNJQVLBUDKO-NSHDSACASA-N 1 2 244.335 1.727 20 0 BDADLO O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCCO1 ZINC000867317561 588078681 /nfs/dbraw/zinc/07/86/81/588078681.db2.gz PLUPHRHOHHOPEK-VIFPVBQESA-N 1 2 248.273 1.127 20 0 BDADLO O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCCO1 ZINC000867317561 588078682 /nfs/dbraw/zinc/07/86/82/588078682.db2.gz PLUPHRHOHHOPEK-VIFPVBQESA-N 1 2 248.273 1.127 20 0 BDADLO COC[C@@H](C)OC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000867317873 588078932 /nfs/dbraw/zinc/07/89/32/588078932.db2.gz VVGXUEINAPTPFP-RKDXNWHRSA-N 1 2 239.275 1.089 20 0 BDADLO CC[NH2+]Cc1noc(C2(CCOC)CCC2)n1 ZINC000843144370 588086264 /nfs/dbraw/zinc/08/62/64/588086264.db2.gz BDBLWWBQZNIHJK-UHFFFAOYSA-N 1 2 239.319 1.637 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)CCCOC)n1 ZINC000843145020 588086480 /nfs/dbraw/zinc/08/64/80/588086480.db2.gz RPCUOLLYLIVDBL-VIFPVBQESA-N 1 2 227.308 1.709 20 0 BDADLO CC[NH2+]Cc1noc(Cc2c(C)noc2C)n1 ZINC000843145818 588086774 /nfs/dbraw/zinc/08/67/74/588086774.db2.gz QZOQSVQNZLZDMU-UHFFFAOYSA-N 1 2 236.275 1.375 20 0 BDADLO CCC[C@@H](C)c1noc(C[NH2+]CCOC)n1 ZINC000843185522 588090650 /nfs/dbraw/zinc/09/06/50/588090650.db2.gz UTUBLCXGZTYCSR-SECBINFHSA-N 1 2 227.308 1.709 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(C(F)F)CC1 ZINC000843788641 588140342 /nfs/dbraw/zinc/14/03/42/588140342.db2.gz GOMLMKFABQZDOX-UHFFFAOYSA-N 1 2 229.230 1.082 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(F)CC1 ZINC000843828426 588143196 /nfs/dbraw/zinc/14/31/96/588143196.db2.gz QRWXNFSZWNJPFK-UHFFFAOYSA-N 1 2 233.246 1.453 20 0 BDADLO O=C([C@@H]1CCC(=O)C1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000843845955 588144839 /nfs/dbraw/zinc/14/48/39/588144839.db2.gz MZZWOBGKWCSOQL-KOLCDFICSA-N 1 2 247.298 1.442 20 0 BDADLO CC(C)c1nn(C)cc1-c1c[nH+]cn1C ZINC000844227989 588174598 /nfs/dbraw/zinc/17/45/98/588174598.db2.gz AFSHQCKBTQSTRO-UHFFFAOYSA-N 1 2 204.277 1.944 20 0 BDADLO C[C@@H](CC(=O)OCc1ccn(C)n1)n1cc[nH+]c1 ZINC000844348917 588186570 /nfs/dbraw/zinc/18/65/70/588186570.db2.gz DIETZKLNEAOWAF-JTQLQIEISA-N 1 2 248.286 1.311 20 0 BDADLO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)OCC(C)C ZINC000844374297 588188406 /nfs/dbraw/zinc/18/84/06/588188406.db2.gz GDZGSMDRBZTXNB-NEPJUHHUSA-N 1 2 245.363 1.572 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnoc2C)[C@H](C)CO1 ZINC000844390313 588189165 /nfs/dbraw/zinc/18/91/65/588189165.db2.gz GJJYUVBHNJYJPT-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnoc2C)[C@H](C)CO1 ZINC000844390313 588189167 /nfs/dbraw/zinc/18/91/67/588189167.db2.gz GJJYUVBHNJYJPT-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO C[C@H](CCO)[N@H+](C)Cc1ncc(Cl)n1C ZINC000844446088 588190617 /nfs/dbraw/zinc/19/06/17/588190617.db2.gz FPHFJYGZKMPQHL-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@H](CCO)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000844446088 588190619 /nfs/dbraw/zinc/19/06/19/588190619.db2.gz FPHFJYGZKMPQHL-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000844455384 588196344 /nfs/dbraw/zinc/19/63/44/588196344.db2.gz AKFLXNKMLAJLAB-KNVOCYPGSA-N 1 2 231.271 1.543 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000844455384 588196345 /nfs/dbraw/zinc/19/63/45/588196345.db2.gz AKFLXNKMLAJLAB-KNVOCYPGSA-N 1 2 231.271 1.543 20 0 BDADLO Fc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844460179 588196857 /nfs/dbraw/zinc/19/68/57/588196857.db2.gz WHZRHCVDVKRNSA-AOOOYVTPSA-N 1 2 228.217 1.918 20 0 BDADLO Fc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844460179 588196858 /nfs/dbraw/zinc/19/68/58/588196858.db2.gz WHZRHCVDVKRNSA-AOOOYVTPSA-N 1 2 228.217 1.918 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(F)F)CC1(C)C ZINC000844552383 588202067 /nfs/dbraw/zinc/20/20/67/588202067.db2.gz MRSAXZIVILEIAK-SSDOTTSWSA-N 1 2 243.257 1.595 20 0 BDADLO Cc1cc(COC(=O)C[C@H](C)n2cc[nH+]c2)no1 ZINC000844583734 588204764 /nfs/dbraw/zinc/20/47/64/588204764.db2.gz GUKLWTQFCSPAHP-VIFPVBQESA-N 1 2 249.270 1.874 20 0 BDADLO COC(=O)CCCO[NH+]=C(N)COC(C)(C)C ZINC000844766353 588216475 /nfs/dbraw/zinc/21/64/75/588216475.db2.gz IFAZULBZSYVZHK-UHFFFAOYSA-N 1 2 246.307 1.253 20 0 BDADLO C[C@@H](CC(=O)OCC(F)F)n1cc[nH+]c1 ZINC000845282531 588225318 /nfs/dbraw/zinc/22/53/18/588225318.db2.gz OYUTWLVANPBGBP-ZETCQYMHSA-N 1 2 218.203 1.643 20 0 BDADLO C[C@@H](O)CCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284089 588225833 /nfs/dbraw/zinc/22/58/33/588225833.db2.gz KNQXBPZSHUGILZ-GHMZBOCLSA-N 1 2 240.303 1.538 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845480100 588230242 /nfs/dbraw/zinc/23/02/42/588230242.db2.gz YUJRZLMNYCNVAS-NWDGAFQWSA-N 1 2 234.299 1.900 20 0 BDADLO CCONC(=O)C[NH2+]CC(C(C)C)C(C)C ZINC000846083557 588255745 /nfs/dbraw/zinc/25/57/45/588255745.db2.gz SULWBPWVHRFZDI-UHFFFAOYSA-N 1 2 230.352 1.572 20 0 BDADLO CCONC(=O)C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000846084953 588255777 /nfs/dbraw/zinc/25/57/77/588255777.db2.gz GGLMLSUOEMYZRN-BDAKNGLRSA-N 1 2 214.309 1.078 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000846091465 588256162 /nfs/dbraw/zinc/25/61/62/588256162.db2.gz MOGCDINXLLNOAB-NXEZZACHSA-N 1 2 246.376 1.174 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](CC)C1CCC1 ZINC000846090246 588256462 /nfs/dbraw/zinc/25/64/62/588256462.db2.gz DOOIRFRYACGTKV-JTQLQIEISA-N 1 2 214.309 1.222 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)CCO)c1 ZINC000846213208 588259646 /nfs/dbraw/zinc/25/96/46/588259646.db2.gz PYSXHPOAQSBCHO-SECBINFHSA-N 1 2 210.277 1.411 20 0 BDADLO CCCONC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846278309 588263703 /nfs/dbraw/zinc/26/37/03/588263703.db2.gz QTPAOADTDJOMLQ-VIFPVBQESA-N 1 2 211.265 1.292 20 0 BDADLO OC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846772299 588287420 /nfs/dbraw/zinc/28/74/20/588287420.db2.gz RMJKFVHNYBBTGC-UHFFFAOYSA-N 1 2 244.697 1.831 20 0 BDADLO CC[N@@H+](Cc1cnsn1)C[C@@H]1CCOC1 ZINC000846775520 588287600 /nfs/dbraw/zinc/28/76/00/588287600.db2.gz OSQXNIUNIALFRF-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CC[N@H+](Cc1cnsn1)C[C@@H]1CCOC1 ZINC000846775520 588287601 /nfs/dbraw/zinc/28/76/01/588287601.db2.gz OSQXNIUNIALFRF-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CCCC[N@H+](CCOC)Cc1cnsn1 ZINC000846803808 588289160 /nfs/dbraw/zinc/28/91/60/588289160.db2.gz SRQALTZZOMHUEM-UHFFFAOYSA-N 1 2 229.349 1.787 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1cnsn1 ZINC000846803808 588289161 /nfs/dbraw/zinc/28/91/61/588289161.db2.gz SRQALTZZOMHUEM-UHFFFAOYSA-N 1 2 229.349 1.787 20 0 BDADLO CCOC[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846809327 588290317 /nfs/dbraw/zinc/29/03/17/588290317.db2.gz QONHTINMFFUWNE-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846809327 588290318 /nfs/dbraw/zinc/29/03/18/588290318.db2.gz QONHTINMFFUWNE-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO CC(C)C[C@@H](CO)[N@H+](C)Cc1cnsn1 ZINC000846856990 588293731 /nfs/dbraw/zinc/29/37/31/588293731.db2.gz GCVZGIDKCFBMDX-JTQLQIEISA-N 1 2 229.349 1.377 20 0 BDADLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cnsn1 ZINC000846856990 588293732 /nfs/dbraw/zinc/29/37/32/588293732.db2.gz GCVZGIDKCFBMDX-JTQLQIEISA-N 1 2 229.349 1.377 20 0 BDADLO C[C@@H]1CSCC[N@H+](Cc2cnsn2)C1 ZINC000846871017 588294335 /nfs/dbraw/zinc/29/43/35/588294335.db2.gz GSVUOBUDYCAVCC-QMMMGPOBSA-N 1 2 229.374 1.723 20 0 BDADLO C[C@@H]1CSCC[N@@H+](Cc2cnsn2)C1 ZINC000846871017 588294336 /nfs/dbraw/zinc/29/43/36/588294336.db2.gz GSVUOBUDYCAVCC-QMMMGPOBSA-N 1 2 229.374 1.723 20 0 BDADLO c1nsnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000846896274 588296052 /nfs/dbraw/zinc/29/60/52/588296052.db2.gz VZMJPVYTRPBGMR-GHMZBOCLSA-N 1 2 239.344 1.682 20 0 BDADLO c1nsnc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000846896274 588296053 /nfs/dbraw/zinc/29/60/53/588296053.db2.gz VZMJPVYTRPBGMR-GHMZBOCLSA-N 1 2 239.344 1.682 20 0 BDADLO CON1CC[NH+](Cc2scnc2C)CC1 ZINC000846970451 588299061 /nfs/dbraw/zinc/29/90/61/588299061.db2.gz GAZBUOOISXAKKU-UHFFFAOYSA-N 1 2 227.333 1.131 20 0 BDADLO CON1CC[NH+](CCC(F)(F)F)CC1 ZINC000846971074 588299283 /nfs/dbraw/zinc/29/92/83/588299283.db2.gz KALXWCKFUADAEU-UHFFFAOYSA-N 1 2 212.215 1.118 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)on1 ZINC000847015548 588301583 /nfs/dbraw/zinc/30/15/83/588301583.db2.gz WZDHDDWHQVNWKR-DTORHVGOSA-N 1 2 242.225 1.574 20 0 BDADLO CC(=O)c1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)on1 ZINC000847015548 588301584 /nfs/dbraw/zinc/30/15/84/588301584.db2.gz WZDHDDWHQVNWKR-DTORHVGOSA-N 1 2 242.225 1.574 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000847061876 588305493 /nfs/dbraw/zinc/30/54/93/588305493.db2.gz DMFBPINYEFRUSH-MRVPVSSYSA-N 1 2 225.292 1.740 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000847061876 588305494 /nfs/dbraw/zinc/30/54/94/588305494.db2.gz DMFBPINYEFRUSH-MRVPVSSYSA-N 1 2 225.292 1.740 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)C(C)C)n1 ZINC000847066926 588305769 /nfs/dbraw/zinc/30/57/69/588305769.db2.gz UOXPHSONQVUQKL-SECBINFHSA-N 1 2 239.319 1.986 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)C(C)C)n1 ZINC000847066926 588305770 /nfs/dbraw/zinc/30/57/70/588305770.db2.gz UOXPHSONQVUQKL-SECBINFHSA-N 1 2 239.319 1.986 20 0 BDADLO C[N@H+](Cn1ccc(C(F)(F)F)n1)[C@H]1CCOC1 ZINC000106858123 588313393 /nfs/dbraw/zinc/31/33/93/588313393.db2.gz ZQXBPSLHDRUQRA-QMMMGPOBSA-N 1 2 249.236 1.580 20 0 BDADLO C[N@@H+](Cn1ccc(C(F)(F)F)n1)[C@H]1CCOC1 ZINC000106858123 588313395 /nfs/dbraw/zinc/31/33/95/588313395.db2.gz ZQXBPSLHDRUQRA-QMMMGPOBSA-N 1 2 249.236 1.580 20 0 BDADLO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)o1 ZINC000847526036 588315483 /nfs/dbraw/zinc/31/54/83/588315483.db2.gz RGTPSDCYNIJECZ-SECBINFHSA-N 1 2 238.287 1.064 20 0 BDADLO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000847526036 588315485 /nfs/dbraw/zinc/31/54/85/588315485.db2.gz RGTPSDCYNIJECZ-SECBINFHSA-N 1 2 238.287 1.064 20 0 BDADLO CON(C(=O)C[NH+]1CC(C)(C)C1)C1CCCC1 ZINC000847730451 588327873 /nfs/dbraw/zinc/32/78/73/588327873.db2.gz SVSGDDVUBNYTEH-UHFFFAOYSA-N 1 2 240.347 1.661 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1=C(C)OCCC1 ZINC000848174776 588365110 /nfs/dbraw/zinc/36/51/10/588365110.db2.gz VTDDJEGRTGBQIH-UHFFFAOYSA-N 1 2 249.314 1.604 20 0 BDADLO COc1c(C)[nH+]cnc1NCCOC1CCC1 ZINC000848669462 588404571 /nfs/dbraw/zinc/40/45/71/588404571.db2.gz FLMWBOBVASHTTO-UHFFFAOYSA-N 1 2 237.303 1.775 20 0 BDADLO Cn1c(C[NH+]2CCC(C)(O)CC2)cnc1Cl ZINC000848887062 588416906 /nfs/dbraw/zinc/41/69/06/588416906.db2.gz MSLYOJGTDDKRGJ-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCOC1)C(=O)OCc1ccccc1 ZINC000848920388 588420554 /nfs/dbraw/zinc/42/05/54/588420554.db2.gz FSNXAULJCNXMPR-WCQYABFASA-N 1 2 249.310 1.497 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000849395414 588476433 /nfs/dbraw/zinc/47/64/33/588476433.db2.gz VRCPKZFUMCCWSH-NXEZZACHSA-N 1 2 234.303 1.379 20 0 BDADLO c1cc(C[NH2+]Cc2cnn3c2CCC3)no1 ZINC000850171027 588523465 /nfs/dbraw/zinc/52/34/65/588523465.db2.gz VNHKSPUNDIVBFA-UHFFFAOYSA-N 1 2 218.260 1.107 20 0 BDADLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc[nH]1 ZINC000850228203 588530528 /nfs/dbraw/zinc/53/05/28/588530528.db2.gz ADFCPCZNSSKEBR-SECBINFHSA-N 1 2 248.334 1.607 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccnc2F)n1 ZINC000850281336 588534736 /nfs/dbraw/zinc/53/47/36/588534736.db2.gz IBKLNYFVEILPCP-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CCCn1nccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000850312275 588536188 /nfs/dbraw/zinc/53/61/88/588536188.db2.gz GRVWQKXXDUKREO-LBPRGKRZSA-N 1 2 245.330 1.724 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccoc2)c2ncnn21 ZINC000850351800 588537875 /nfs/dbraw/zinc/53/78/75/588537875.db2.gz HXJSMMXVDHMDAM-WPRPVWTQSA-N 1 2 218.260 1.667 20 0 BDADLO COCC[NH+](CC=C(Cl)Cl)CCOC ZINC000851714992 588615614 /nfs/dbraw/zinc/61/56/14/588615614.db2.gz MSSJBKPHEALGFA-UHFFFAOYSA-N 1 2 242.146 1.900 20 0 BDADLO C[N@H+](Cc1cnon1)Cc1ccc(F)cc1 ZINC000851712437 588615628 /nfs/dbraw/zinc/61/56/28/588615628.db2.gz OGYKBSJFVSHUNA-UHFFFAOYSA-N 1 2 221.235 1.841 20 0 BDADLO C[N@@H+](Cc1cnon1)Cc1ccc(F)cc1 ZINC000851712437 588615629 /nfs/dbraw/zinc/61/56/29/588615629.db2.gz OGYKBSJFVSHUNA-UHFFFAOYSA-N 1 2 221.235 1.841 20 0 BDADLO C[N@H+](CCOC(F)F)CC(=O)OC(C)(C)C ZINC000851745712 588621690 /nfs/dbraw/zinc/62/16/90/588621690.db2.gz LYPXPVNHSBRKEW-UHFFFAOYSA-N 1 2 239.262 1.499 20 0 BDADLO C[N@@H+](CCOC(F)F)CC(=O)OC(C)(C)C ZINC000851745712 588621691 /nfs/dbraw/zinc/62/16/91/588621691.db2.gz LYPXPVNHSBRKEW-UHFFFAOYSA-N 1 2 239.262 1.499 20 0 BDADLO C[N@H+](CC[C@@H]1COC(C)(C)O1)CC(F)F ZINC000851750497 588623060 /nfs/dbraw/zinc/62/30/60/588623060.db2.gz CFIRXHFDYIYBRW-MRVPVSSYSA-N 1 2 223.263 1.725 20 0 BDADLO C[N@@H+](CC[C@@H]1COC(C)(C)O1)CC(F)F ZINC000851750497 588623061 /nfs/dbraw/zinc/62/30/61/588623061.db2.gz CFIRXHFDYIYBRW-MRVPVSSYSA-N 1 2 223.263 1.725 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCOC(F)F ZINC000851777858 588626740 /nfs/dbraw/zinc/62/67/40/588626740.db2.gz AOBZLXBGKSRQJA-KDZIRCDLSA-N 1 2 241.303 1.067 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC000851808019 588631624 /nfs/dbraw/zinc/63/16/24/588631624.db2.gz DZYIJJDSZHOCGZ-LBPRGKRZSA-N 1 2 247.302 1.449 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cnon1 ZINC000851808019 588631625 /nfs/dbraw/zinc/63/16/25/588631625.db2.gz DZYIJJDSZHOCGZ-LBPRGKRZSA-N 1 2 247.302 1.449 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccc(F)n2)[C@H]1C ZINC000851812258 588632875 /nfs/dbraw/zinc/63/28/75/588632875.db2.gz CRDBPZFOEBBPPE-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccc(F)n2)[C@H]1C ZINC000851812258 588632876 /nfs/dbraw/zinc/63/28/76/588632876.db2.gz CRDBPZFOEBBPPE-VHSXEESVSA-N 1 2 224.279 1.830 20 0 BDADLO CCOP(=O)(OCC)[C@@H](O)Cn1cc[nH+]c1 ZINC000851820461 588633364 /nfs/dbraw/zinc/63/33/64/588633364.db2.gz BCSUMXLJJQEEJI-SECBINFHSA-N 1 2 248.219 1.468 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851841177 588634342 /nfs/dbraw/zinc/63/43/42/588634342.db2.gz FSQDERXPGFQFLW-UWVGGRQHSA-N 1 2 245.319 1.021 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851841177 588634343 /nfs/dbraw/zinc/63/43/43/588634343.db2.gz FSQDERXPGFQFLW-UWVGGRQHSA-N 1 2 245.319 1.021 20 0 BDADLO CC(C)CS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000851856146 588635550 /nfs/dbraw/zinc/63/55/50/588635550.db2.gz JHLKHOJSQSZCLD-SECBINFHSA-N 1 2 245.348 1.057 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000851864674 588636367 /nfs/dbraw/zinc/63/63/67/588636367.db2.gz HQQICZSKKUXABF-UHFFFAOYSA-N 1 2 238.287 1.511 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)CC(F)(F)C(F)F ZINC000851876009 588638025 /nfs/dbraw/zinc/63/80/25/588638025.db2.gz VJWBGIXOYFGGNO-UHFFFAOYSA-N 1 2 225.189 1.742 20 0 BDADLO c1nonc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000851953670 588647501 /nfs/dbraw/zinc/64/75/01/588647501.db2.gz CSCQWVAEESYYJV-LBPRGKRZSA-N 1 2 237.303 1.461 20 0 BDADLO c1nonc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000851953670 588647502 /nfs/dbraw/zinc/64/75/02/588647502.db2.gz CSCQWVAEESYYJV-LBPRGKRZSA-N 1 2 237.303 1.461 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1cnon1)CC2 ZINC000851985168 588651307 /nfs/dbraw/zinc/65/13/07/588651307.db2.gz KHXDHZSRDSWZCZ-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1cnon1)CC2 ZINC000851985168 588651308 /nfs/dbraw/zinc/65/13/08/588651308.db2.gz KHXDHZSRDSWZCZ-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CC1(C)OC[C@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000852006820 588654924 /nfs/dbraw/zinc/65/49/24/588654924.db2.gz DYMUQTLTODPTOC-NSHDSACASA-N 1 2 234.299 1.549 20 0 BDADLO CC1(C)OC[C@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000852006820 588654925 /nfs/dbraw/zinc/65/49/25/588654925.db2.gz DYMUQTLTODPTOC-NSHDSACASA-N 1 2 234.299 1.549 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCOC[C@H]2CC(F)F)O1 ZINC000852047029 588657448 /nfs/dbraw/zinc/65/74/48/588657448.db2.gz UCYAQQVFNUBXEE-BDAKNGLRSA-N 1 2 249.257 1.048 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCOC[C@H]2CC(F)F)O1 ZINC000852047029 588657449 /nfs/dbraw/zinc/65/74/49/588657449.db2.gz UCYAQQVFNUBXEE-BDAKNGLRSA-N 1 2 249.257 1.048 20 0 BDADLO CO[C@H]1CC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC000852053964 588657842 /nfs/dbraw/zinc/65/78/42/588657842.db2.gz LLAHMSLYVPYROX-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO CO[C@H]1CC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC000852053964 588657843 /nfs/dbraw/zinc/65/78/43/588657843.db2.gz LLAHMSLYVPYROX-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO CCCOC(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000852060491 588658547 /nfs/dbraw/zinc/65/85/47/588658547.db2.gz GTQBMZGDUNHLSC-SNVBAGLBSA-N 1 2 237.303 1.040 20 0 BDADLO O[C@H](C[N@@H+]1CCn2cncc2C1)c1ccccc1 ZINC000852060108 588658678 /nfs/dbraw/zinc/65/86/78/588658678.db2.gz BURKTPQOCBRLAO-CQSZACIVSA-N 1 2 243.310 1.432 20 0 BDADLO O[C@H](C[N@H+]1CCn2cncc2C1)c1ccccc1 ZINC000852060108 588658679 /nfs/dbraw/zinc/65/86/79/588658679.db2.gz BURKTPQOCBRLAO-CQSZACIVSA-N 1 2 243.310 1.432 20 0 BDADLO O[C@H](CN1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000852060108 588658680 /nfs/dbraw/zinc/65/86/80/588658680.db2.gz BURKTPQOCBRLAO-CQSZACIVSA-N 1 2 243.310 1.432 20 0 BDADLO c1nonc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000852170632 588669225 /nfs/dbraw/zinc/66/92/25/588669225.db2.gz JPHDFNGMGFPOFS-UHFFFAOYSA-N 1 2 245.286 1.239 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](CCOC(F)F)C2)n[nH]1 ZINC000852176754 588669545 /nfs/dbraw/zinc/66/95/45/588669545.db2.gz WUQQVNUITWUCHE-MRVPVSSYSA-N 1 2 246.261 1.142 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](CCOC(F)F)C2)n[nH]1 ZINC000852176754 588669546 /nfs/dbraw/zinc/66/95/46/588669546.db2.gz WUQQVNUITWUCHE-MRVPVSSYSA-N 1 2 246.261 1.142 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000852214626 588672899 /nfs/dbraw/zinc/67/28/99/588672899.db2.gz YGQGEOADEBAQKZ-BIIVOSGPSA-N 1 2 242.273 1.625 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000852214626 588672900 /nfs/dbraw/zinc/67/29/00/588672900.db2.gz YGQGEOADEBAQKZ-BIIVOSGPSA-N 1 2 242.273 1.625 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC1(C)C ZINC000852338195 588678819 /nfs/dbraw/zinc/67/88/19/588678819.db2.gz NIXGUWKTQFDIBE-SNVBAGLBSA-N 1 2 236.319 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC1(C)C ZINC000852338195 588678820 /nfs/dbraw/zinc/67/88/20/588678820.db2.gz NIXGUWKTQFDIBE-SNVBAGLBSA-N 1 2 236.319 1.740 20 0 BDADLO CC[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000852363692 588679858 /nfs/dbraw/zinc/67/98/58/588679858.db2.gz SYYGHFKAFXFVKK-GHMZBOCLSA-N 1 2 248.330 1.816 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1C=CCC1 ZINC000852371240 588680285 /nfs/dbraw/zinc/68/02/85/588680285.db2.gz DIMHLNUNHMQWAO-WDEREUQCSA-N 1 2 248.330 1.982 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000852518783 588687619 /nfs/dbraw/zinc/68/76/19/588687619.db2.gz NVYNBIPJQZMZNS-LLVKDONJSA-N 1 2 241.331 1.607 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000852518783 588687620 /nfs/dbraw/zinc/68/76/20/588687620.db2.gz NVYNBIPJQZMZNS-LLVKDONJSA-N 1 2 241.331 1.607 20 0 BDADLO CC(C)CC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000852553436 588689748 /nfs/dbraw/zinc/68/97/48/588689748.db2.gz RQKKJLWIPPBMCM-UHFFFAOYSA-N 1 2 238.335 1.252 20 0 BDADLO CC(C)CC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000852553436 588689749 /nfs/dbraw/zinc/68/97/49/588689749.db2.gz RQKKJLWIPPBMCM-UHFFFAOYSA-N 1 2 238.335 1.252 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000852586052 588692431 /nfs/dbraw/zinc/69/24/31/588692431.db2.gz BVIHGXYUNLMHST-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000852586052 588692432 /nfs/dbraw/zinc/69/24/32/588692432.db2.gz BVIHGXYUNLMHST-BDAKNGLRSA-N 1 2 225.292 1.377 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@@H+]2CCC(=O)CC ZINC000852704564 588696907 /nfs/dbraw/zinc/69/69/07/588696907.db2.gz DOVFTXJOQWJCHS-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(=O)C12CC(C1)C[N@H+]2CCC(=O)CC ZINC000852704564 588696908 /nfs/dbraw/zinc/69/69/08/588696908.db2.gz DOVFTXJOQWJCHS-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCOC(F)F)CCO1 ZINC000852783727 588700489 /nfs/dbraw/zinc/70/04/89/588700489.db2.gz UFCXDQQBIPPQHT-SECBINFHSA-N 1 2 245.216 1.582 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCOC(F)F)CCO1 ZINC000852783727 588700488 /nfs/dbraw/zinc/70/04/88/588700488.db2.gz UFCXDQQBIPPQHT-SECBINFHSA-N 1 2 245.216 1.582 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCC[NH+]2CCC2)CCC1=O ZINC000861388468 589162331 /nfs/dbraw/zinc/16/23/31/589162331.db2.gz KWUBMMCXDPYFKX-MNOVXSKESA-N 1 2 239.315 1.241 20 0 BDADLO CSC(C)(C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763924 589176939 /nfs/dbraw/zinc/17/69/39/589176939.db2.gz DSLWTXVVJZUOAQ-UHFFFAOYSA-N 1 2 239.344 1.436 20 0 BDADLO CSC(C)(C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763924 589176940 /nfs/dbraw/zinc/17/69/40/589176940.db2.gz DSLWTXVVJZUOAQ-UHFFFAOYSA-N 1 2 239.344 1.436 20 0 BDADLO Cc1c(F)nccc1C[NH2+]Cc1ccon1 ZINC000862283602 589199617 /nfs/dbraw/zinc/19/96/17/589199617.db2.gz LPVIJMXOMUFUBF-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO Cc1c(F)nccc1C[NH2+]CC(F)F ZINC000862364762 589204447 /nfs/dbraw/zinc/20/44/47/589204447.db2.gz GXUCDRMSERCUER-UHFFFAOYSA-N 1 2 204.195 1.884 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccnc(F)c1 ZINC000862367714 589205018 /nfs/dbraw/zinc/20/50/18/589205018.db2.gz SEPOARPWUHLRPN-UHFFFAOYSA-N 1 2 222.223 1.202 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccns1 ZINC000862411259 589210545 /nfs/dbraw/zinc/21/05/45/589210545.db2.gz CKLNQKZTPVFMGG-UHFFFAOYSA-N 1 2 236.300 1.046 20 0 BDADLO FCC[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000862530511 589218483 /nfs/dbraw/zinc/21/84/83/589218483.db2.gz NZXRDNPEDUPHIN-NSHDSACASA-N 1 2 213.252 1.840 20 0 BDADLO FCC[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000862530511 589218484 /nfs/dbraw/zinc/21/84/84/589218484.db2.gz NZXRDNPEDUPHIN-NSHDSACASA-N 1 2 213.252 1.840 20 0 BDADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1cocn1 ZINC000862555354 589221546 /nfs/dbraw/zinc/22/15/46/589221546.db2.gz JYPPWRRPHYCKJE-UHFFFAOYSA-N 1 2 232.287 1.575 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC000862971784 589249810 /nfs/dbraw/zinc/24/98/10/589249810.db2.gz WKOZOFVVCYIONI-GZTOBOFZSA-N 1 2 240.347 1.036 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC000862971784 589249811 /nfs/dbraw/zinc/24/98/11/589249811.db2.gz WKOZOFVVCYIONI-GZTOBOFZSA-N 1 2 240.347 1.036 20 0 BDADLO CCC/C(C)=C\C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862973967 589250451 /nfs/dbraw/zinc/25/04/51/589250451.db2.gz XWDMYDDMJHSARI-KGTBHZDVSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C(C)=C\C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862973967 589250452 /nfs/dbraw/zinc/25/04/52/589250452.db2.gz XWDMYDDMJHSARI-KGTBHZDVSA-N 1 2 240.347 1.180 20 0 BDADLO CCO[C@@H](CO[NH+]=C(N)[C@H](C)OC)C1CC1 ZINC000863458645 589289876 /nfs/dbraw/zinc/28/98/76/589289876.db2.gz BWONYEMSBYKPKJ-WPRPVWTQSA-N 1 2 230.308 1.335 20 0 BDADLO COC1(C(N)=[NH+]OCC[C@H](C)O)CCCC1 ZINC000863476996 589292202 /nfs/dbraw/zinc/29/22/02/589292202.db2.gz DQAWXVUALBXXRV-VIFPVBQESA-N 1 2 230.308 1.215 20 0 BDADLO COCCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478589 589292326 /nfs/dbraw/zinc/29/23/26/589292326.db2.gz RRHAIKAOOMYSBF-UHFFFAOYSA-N 1 2 230.308 1.481 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nnc(C)s2)C1 ZINC000864053698 589336119 /nfs/dbraw/zinc/33/61/19/589336119.db2.gz MSGVVAHOJJQCFO-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(C)s2)C1 ZINC000864053698 589336121 /nfs/dbraw/zinc/33/61/21/589336121.db2.gz MSGVVAHOJJQCFO-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CC1(F)F ZINC000864071730 589339282 /nfs/dbraw/zinc/33/92/82/589339282.db2.gz JWRVTJLXYKPSBX-ZETCQYMHSA-N 1 2 229.230 1.114 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC[C@H]1CC1(F)F ZINC000864071730 589339284 /nfs/dbraw/zinc/33/92/84/589339284.db2.gz JWRVTJLXYKPSBX-ZETCQYMHSA-N 1 2 229.230 1.114 20 0 BDADLO C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CC1(F)F ZINC000864074048 589339724 /nfs/dbraw/zinc/33/97/24/589339724.db2.gz VODQQOWRYPMGGI-VIFPVBQESA-N 1 2 229.230 1.114 20 0 BDADLO C[C@@]1(CNC(=O)Cc2c[nH+]c[nH]2)CC1(F)F ZINC000864074048 589339726 /nfs/dbraw/zinc/33/97/26/589339726.db2.gz VODQQOWRYPMGGI-VIFPVBQESA-N 1 2 229.230 1.114 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC12CC2 ZINC000864079713 589341065 /nfs/dbraw/zinc/34/10/65/589341065.db2.gz YZJLVHSGUVHONU-JTQLQIEISA-N 1 2 233.315 1.649 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CCCC12CC2 ZINC000864079713 589341066 /nfs/dbraw/zinc/34/10/66/589341066.db2.gz YZJLVHSGUVHONU-JTQLQIEISA-N 1 2 233.315 1.649 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864392038 589357818 /nfs/dbraw/zinc/35/78/18/589357818.db2.gz HJJXQEPOBIGWNT-KOLCDFICSA-N 1 2 237.303 1.234 20 0 BDADLO CCCCN(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864444964 589363960 /nfs/dbraw/zinc/36/39/60/589363960.db2.gz HVTICWKCIOAIRI-SNVBAGLBSA-N 1 2 225.292 1.092 20 0 BDADLO CC(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000864491843 589374443 /nfs/dbraw/zinc/37/44/43/589374443.db2.gz FHOAJSKWUAWVNS-CYBMUJFWSA-N 1 2 232.327 1.945 20 0 BDADLO CC(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000864491843 589374445 /nfs/dbraw/zinc/37/44/45/589374445.db2.gz FHOAJSKWUAWVNS-CYBMUJFWSA-N 1 2 232.327 1.945 20 0 BDADLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C1CC1 ZINC000864644662 589387326 /nfs/dbraw/zinc/38/73/26/589387326.db2.gz HRPRJGUVROVPAI-LBPRGKRZSA-N 1 2 236.319 1.051 20 0 BDADLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C1CC1 ZINC000864644662 589387327 /nfs/dbraw/zinc/38/73/27/589387327.db2.gz HRPRJGUVROVPAI-LBPRGKRZSA-N 1 2 236.319 1.051 20 0 BDADLO CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CCCCC1 ZINC000864678564 589388832 /nfs/dbraw/zinc/38/88/32/589388832.db2.gz UBPAXASRZQKYKO-NSHDSACASA-N 1 2 237.303 1.234 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@]12C[C@@H]1CCCC2 ZINC000864868231 589398741 /nfs/dbraw/zinc/39/87/41/589398741.db2.gz RZJPQKRWFBVQOR-AAEUAGOBSA-N 1 2 233.315 1.580 20 0 BDADLO CN(CC1CCCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865048880 589406456 /nfs/dbraw/zinc/40/64/56/589406456.db2.gz BNHBSLCULVULJK-NSHDSACASA-N 1 2 237.303 1.092 20 0 BDADLO CC(C)(C)c1cn(CC(=O)N2CCC2)c[nH+]1 ZINC000865375731 589428557 /nfs/dbraw/zinc/42/85/57/589428557.db2.gz MAUGLINWRZTECK-UHFFFAOYSA-N 1 2 221.304 1.413 20 0 BDADLO OCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865399535 589432331 /nfs/dbraw/zinc/43/23/31/589432331.db2.gz QHTACDFDVUMXHE-UHFFFAOYSA-N 1 2 212.640 1.016 20 0 BDADLO COC[C@H](C)Nc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865402266 589432877 /nfs/dbraw/zinc/43/28/77/589432877.db2.gz LMPFYHLGKKTBGL-LURJTMIESA-N 1 2 240.694 1.480 20 0 BDADLO CC(C)Cc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000865401796 589433304 /nfs/dbraw/zinc/43/33/04/589433304.db2.gz KXLKFOUEFYHCEA-VIFPVBQESA-N 1 2 209.293 1.468 20 0 BDADLO Clc1cc2c(nc[nH+]c2N2CCC2)[nH]1 ZINC000865426339 589435008 /nfs/dbraw/zinc/43/50/08/589435008.db2.gz LITLNGCWXXKZHS-UHFFFAOYSA-N 1 2 208.652 1.773 20 0 BDADLO Clc1cc2c(nc[nH+]c2NC2CCC2)[nH]1 ZINC000865526185 589443318 /nfs/dbraw/zinc/44/33/18/589443318.db2.gz MSTHUCDICLFTQK-UHFFFAOYSA-N 1 2 222.679 1.998 20 0 BDADLO C[C@H](O)c1ccc(NCC2(C)COC2)[nH+]c1 ZINC000865536720 589444378 /nfs/dbraw/zinc/44/43/78/589444378.db2.gz JEILMHYOTNYZMY-VIFPVBQESA-N 1 2 222.288 1.583 20 0 BDADLO CC(C)Cc1cc(N[C@@H](C)CCO)nc[nH+]1 ZINC000865548135 589445065 /nfs/dbraw/zinc/44/50/65/589445065.db2.gz WTKFOIXALWXHPQ-JTQLQIEISA-N 1 2 223.320 1.858 20 0 BDADLO CN(C)c1n[nH]c(NCc2cn(C3CC3)c[nH+]2)n1 ZINC000865564753 589446864 /nfs/dbraw/zinc/44/68/64/589446864.db2.gz QCTJBSRHFVWFJR-UHFFFAOYSA-N 1 2 247.306 1.014 20 0 BDADLO CN(C)c1nc(NCc2cn(C3CC3)c[nH+]2)n[nH]1 ZINC000865564753 589446865 /nfs/dbraw/zinc/44/68/65/589446865.db2.gz QCTJBSRHFVWFJR-UHFFFAOYSA-N 1 2 247.306 1.014 20 0 BDADLO Cc1cc(F)ncc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000865598726 589449579 /nfs/dbraw/zinc/44/95/79/589449579.db2.gz KLVYGVRKBBWQSL-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO C[C@H](O)c1ccc(N2CCOCC3(CC3)C2)[nH+]c1 ZINC000865669550 589455523 /nfs/dbraw/zinc/45/55/23/589455523.db2.gz GVJWASIGYGSKPD-NSHDSACASA-N 1 2 248.326 1.752 20 0 BDADLO FC1CN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865672223 589455630 /nfs/dbraw/zinc/45/56/30/589455630.db2.gz OPBDHGGGJHZRCP-UHFFFAOYSA-N 1 2 226.642 1.721 20 0 BDADLO Cc1nc(N2CCCC3(CCCC3)C2)nc(N)[nH+]1 ZINC000865711945 589458093 /nfs/dbraw/zinc/45/80/93/589458093.db2.gz RJLNSZCPUMPXFS-UHFFFAOYSA-N 1 2 247.346 1.923 20 0 BDADLO Cc1nc(N)nc(N2CCCC3(CCCC3)C2)[nH+]1 ZINC000865711945 589458094 /nfs/dbraw/zinc/45/80/94/589458094.db2.gz RJLNSZCPUMPXFS-UHFFFAOYSA-N 1 2 247.346 1.923 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H](C)c2ncnn2C)[nH+]c1 ZINC000865720541 589458127 /nfs/dbraw/zinc/45/81/27/589458127.db2.gz IMAAWFOUNIMECZ-IUCAKERBSA-N 1 2 247.302 1.437 20 0 BDADLO CCOC(=O)c1cc(C[NH2+]CC2(F)CC2)on1 ZINC000865764145 589461180 /nfs/dbraw/zinc/46/11/80/589461180.db2.gz SUKJUWAVXFHGOD-UHFFFAOYSA-N 1 2 242.250 1.443 20 0 BDADLO COC[C@@H](O)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865766161 589461553 /nfs/dbraw/zinc/46/15/53/589461553.db2.gz CUDTURRPZBTAIR-NSHDSACASA-N 1 2 239.319 1.094 20 0 BDADLO Nc1nc(N[C@H]2C[C@@H](O)C2)nc(C2CCCC2)[nH+]1 ZINC000865862698 589465838 /nfs/dbraw/zinc/46/58/38/589465838.db2.gz QGYIWMYICKMRRE-DTORHVGOSA-N 1 2 249.318 1.047 20 0 BDADLO Nc1nc(N[C@H]2C[C@@H](O)C2)[nH+]c(C2CCCC2)n1 ZINC000865862698 589465839 /nfs/dbraw/zinc/46/58/39/589465839.db2.gz QGYIWMYICKMRRE-DTORHVGOSA-N 1 2 249.318 1.047 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 ZINC000865861988 589465979 /nfs/dbraw/zinc/46/59/79/589465979.db2.gz ARTSJUXMANQRNC-DTORHVGOSA-N 1 2 222.292 1.234 20 0 BDADLO CCCNc1cc(N[C@H]2C[C@@H](O)C2)[nH+]cn1 ZINC000865861988 589465980 /nfs/dbraw/zinc/46/59/80/589465980.db2.gz ARTSJUXMANQRNC-DTORHVGOSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H]2CCC[C@H]2O)[nH+]c1 ZINC000865868803 589466029 /nfs/dbraw/zinc/46/60/29/589466029.db2.gz NTOYSDBHLPZLAH-FBIMIBRVSA-N 1 2 222.288 1.460 20 0 BDADLO C[C@@H](O)c1ccc(N2CCO[C@@H](CF)C2)[nH+]c1 ZINC000865875528 589466564 /nfs/dbraw/zinc/46/65/64/589466564.db2.gz CRCIDRIVGHKQFP-KOLCDFICSA-N 1 2 240.278 1.310 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H]2C[C@@](C)(O)C2)[nH+]c1 ZINC000865882167 589467298 /nfs/dbraw/zinc/46/72/98/589467298.db2.gz NGCFPXGVEQMRBW-UISBYWKRSA-N 1 2 222.288 1.460 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(CC1CC1)CC1CC1 ZINC000865901123 589467668 /nfs/dbraw/zinc/46/76/68/589467668.db2.gz MEQZYZSKQOXCEM-LBPRGKRZSA-N 1 2 249.314 1.092 20 0 BDADLO C[C@H](O)c1ccc(N[C@H](CO)CCF)[nH+]c1 ZINC000865910608 589468190 /nfs/dbraw/zinc/46/81/90/589468190.db2.gz FRLATPCLBPCUOM-WPRPVWTQSA-N 1 2 228.267 1.267 20 0 BDADLO FCC[N@@H+]1CCC[C@@H](Nc2nccnc2F)C1 ZINC000865927687 589469021 /nfs/dbraw/zinc/46/90/21/589469021.db2.gz FVOSEFFMVBBIFI-SECBINFHSA-N 1 2 242.273 1.462 20 0 BDADLO FCC[N@H+]1CCC[C@@H](Nc2nccnc2F)C1 ZINC000865927687 589469022 /nfs/dbraw/zinc/46/90/22/589469022.db2.gz FVOSEFFMVBBIFI-SECBINFHSA-N 1 2 242.273 1.462 20 0 BDADLO Cc1nsc(N[C@@H]2CCC[N@H+](CCF)C2)n1 ZINC000865928412 589469114 /nfs/dbraw/zinc/46/91/14/589469114.db2.gz XJEKFKQXFMFTIQ-SECBINFHSA-N 1 2 244.339 1.692 20 0 BDADLO Cc1nsc(N[C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865928412 589469115 /nfs/dbraw/zinc/46/91/15/589469115.db2.gz XJEKFKQXFMFTIQ-SECBINFHSA-N 1 2 244.339 1.692 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H]2C[C@H](O)C2)[nH+]c1 ZINC000865956168 589470204 /nfs/dbraw/zinc/47/02/04/589470204.db2.gz SSYCGJYPOIHVRF-SZEHBUNVSA-N 1 2 208.261 1.070 20 0 BDADLO CCn1ncc(CNc2ccc([C@H](C)O)c[nH+]2)n1 ZINC000865963857 589470374 /nfs/dbraw/zinc/47/03/74/589470374.db2.gz CMDWQXCHQDBVSO-VIFPVBQESA-N 1 2 247.302 1.358 20 0 BDADLO CCn1nncc1CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865964000 589470513 /nfs/dbraw/zinc/47/05/13/589470513.db2.gz DQLCJCABJNXLQQ-SECBINFHSA-N 1 2 247.302 1.358 20 0 BDADLO CCc1cc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)nc[nH+]1 ZINC000866043477 589473465 /nfs/dbraw/zinc/47/34/65/589473465.db2.gz KSSIUZCXQQRTIP-CRWJRVTASA-N 1 2 245.326 1.874 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](O)CC(C)(C)C1 ZINC000866227557 589481664 /nfs/dbraw/zinc/48/16/64/589481664.db2.gz FHOYRANCOUWLKU-JTQLQIEISA-N 1 2 236.315 1.687 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1nc[nH+]c(C)c1OC ZINC000866304173 589485320 /nfs/dbraw/zinc/48/53/20/589485320.db2.gz VCHCXOUBBIOISV-WCBMZHEXSA-N 1 2 239.319 1.755 20 0 BDADLO C[C@H](N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1)C1(C)CC1 ZINC000866438128 589492866 /nfs/dbraw/zinc/49/28/66/589492866.db2.gz BVSOZYMEDPZQLW-WCBMZHEXSA-N 1 2 237.303 1.090 20 0 BDADLO C[C@@H]1CCCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867491295 589522586 /nfs/dbraw/zinc/52/25/86/589522586.db2.gz PBBSCRKKRVXDKK-MWLCHTKSSA-N 1 2 237.303 1.092 20 0 BDADLO COC[C@@H](C)OC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000867533647 589524789 /nfs/dbraw/zinc/52/47/89/589524789.db2.gz OSYRXUBWNDOAKD-RKDXNWHRSA-N 1 2 241.291 1.242 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)OCCCF ZINC000867756103 589532975 /nfs/dbraw/zinc/53/29/75/589532975.db2.gz GFFWBDYQKQAINC-UHFFFAOYSA-N 1 2 215.228 1.338 20 0 BDADLO CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H](C)C(C)C ZINC000868432157 589558328 /nfs/dbraw/zinc/55/83/28/589558328.db2.gz ZREYEPGNIJOFFQ-ONGXEEELSA-N 1 2 239.319 1.336 20 0 BDADLO Cc1nocc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620597 589568201 /nfs/dbraw/zinc/56/82/01/589568201.db2.gz CFSRKCVUHUPKIO-SECBINFHSA-N 1 2 232.243 1.054 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620961 589568499 /nfs/dbraw/zinc/56/84/99/589568499.db2.gz MYTRNANNDUNWNY-PTDYZRSTSA-N 1 2 223.251 1.708 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\SC ZINC000868677388 589572618 /nfs/dbraw/zinc/57/26/18/589572618.db2.gz KOVFSBFAGNJKKN-BZJXQOFCSA-N 1 2 239.344 1.957 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000868699246 589573958 /nfs/dbraw/zinc/57/39/58/589573958.db2.gz RJPLVUJMPBHVFX-YUSALJHKSA-N 1 2 247.342 1.606 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000868710692 589574204 /nfs/dbraw/zinc/57/42/04/589574204.db2.gz KNHRIVOMLAQUSG-UMNHJUIQSA-N 1 2 249.314 1.092 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccon1)c1cnn(C)c1 ZINC000122424180 589589242 /nfs/dbraw/zinc/58/92/42/589589242.db2.gz XUEYKUCIHQACRE-LLVKDONJSA-N 1 2 220.276 1.649 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC12CC2 ZINC000869749909 589626758 /nfs/dbraw/zinc/62/67/58/589626758.db2.gz GRHVYTTXJMQBCB-VIFPVBQESA-N 1 2 219.288 1.401 20 0 BDADLO CCOC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000869768770 589628966 /nfs/dbraw/zinc/62/89/66/589628966.db2.gz NSLQABLGNISFBM-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000869888656 589635987 /nfs/dbraw/zinc/63/59/87/589635987.db2.gz TTYCWLZWFCMUSE-NUGNTBJXSA-N 1 2 246.310 1.999 20 0 BDADLO CC(C)COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000122913896 589643701 /nfs/dbraw/zinc/64/37/01/589643701.db2.gz FOYIURFRYLWJFQ-SNVBAGLBSA-N 1 2 231.361 1.623 20 0 BDADLO CCc1cc(NCCC[S@](C)=O)nc[nH+]1 ZINC000123472055 589720462 /nfs/dbraw/zinc/72/04/62/589720462.db2.gz VYRYKGVREUMSNL-OAHLLOKOSA-N 1 2 227.333 1.220 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)c(C)o1 ZINC000123488223 589730680 /nfs/dbraw/zinc/73/06/80/589730680.db2.gz CTBPTCLXLSDMCX-SECBINFHSA-N 1 2 222.288 1.217 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)c(C)o1 ZINC000123488223 589730683 /nfs/dbraw/zinc/73/06/83/589730683.db2.gz CTBPTCLXLSDMCX-SECBINFHSA-N 1 2 222.288 1.217 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000871209561 589746001 /nfs/dbraw/zinc/74/60/01/589746001.db2.gz VCEFKMALXDRFEZ-PHDIDXHHSA-N 1 2 233.193 1.019 20 0 BDADLO CCS(=O)(=O)Cc1[nH+]ccn1CC(F)F ZINC000871615438 589777028 /nfs/dbraw/zinc/77/70/28/589777028.db2.gz XLCCBPGMIZKOKE-UHFFFAOYSA-N 1 2 238.259 1.083 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871522215 589764837 /nfs/dbraw/zinc/76/48/37/589764837.db2.gz IEQVUWRSRRAPFP-PHIMTYICSA-N 1 2 231.299 1.377 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCO[C@@H]1C ZINC000871727945 589799918 /nfs/dbraw/zinc/79/99/18/589799918.db2.gz OTNDZSDJSCPBJO-NXEZZACHSA-N 1 2 230.308 1.335 20 0 BDADLO Cc1cc(C)c(CO[NH+]=C(N)CCO)c(C)n1 ZINC000871742788 589802897 /nfs/dbraw/zinc/80/28/97/589802897.db2.gz WNZFAUQOEHYOFG-UHFFFAOYSA-N 1 2 237.303 1.388 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)COC1CCC1 ZINC000871776156 589813573 /nfs/dbraw/zinc/81/35/73/589813573.db2.gz SIJBBAWXUSPKOB-QMMMGPOBSA-N 1 2 216.281 1.089 20 0 BDADLO C[C@H]1C[C@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778668 589815193 /nfs/dbraw/zinc/81/51/93/589815193.db2.gz RVPUDCSTHWWKEU-IUCAKERBSA-N 1 2 212.293 1.710 20 0 BDADLO O=c1c2occc2cnn1CCCn1cc[nH+]c1 ZINC000871961985 589846270 /nfs/dbraw/zinc/84/62/70/589846270.db2.gz UHIKBVWRMLVWFO-UHFFFAOYSA-N 1 2 244.254 1.276 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)Cn2ccc(C)n2)n1 ZINC000872171290 589888138 /nfs/dbraw/zinc/88/81/38/589888138.db2.gz PHCWDBQSROHVBY-SECBINFHSA-N 1 2 249.318 1.488 20 0 BDADLO CC(C)c1cc(NCC[S@@](C)=O)nc[nH+]1 ZINC000124024365 589905887 /nfs/dbraw/zinc/90/58/87/589905887.db2.gz DDZWLDCDDWYOEH-HNNXBMFYSA-N 1 2 227.333 1.390 20 0 BDADLO Cc1nc(NCCC[C@H]2CCOC2=O)cc[nH+]1 ZINC000872703849 589963519 /nfs/dbraw/zinc/96/35/19/589963519.db2.gz LUVRFPJFJMFUDT-JTQLQIEISA-N 1 2 235.287 1.540 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC12CCC2 ZINC000872774851 589967695 /nfs/dbraw/zinc/96/76/95/589967695.db2.gz JBXGKXDPDCSBIU-QMMMGPOBSA-N 1 2 244.302 1.300 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)N[C@@H]1CCn2cc[nH+]c21 ZINC000873026637 589979625 /nfs/dbraw/zinc/97/96/25/589979625.db2.gz JIQGZQYZTKUYAE-NXEZZACHSA-N 1 2 246.314 1.570 20 0 BDADLO O=C(N[C@H]1CC12CCC2)N[C@H]1CCn2cc[nH+]c21 ZINC000873026638 589979794 /nfs/dbraw/zinc/97/97/94/589979794.db2.gz JIQGZQYZTKUYAE-UWVGGRQHSA-N 1 2 246.314 1.570 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ccon2)n1C ZINC000873069994 589982581 /nfs/dbraw/zinc/98/25/81/589982581.db2.gz PHMAUJBMXNHJIN-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(N)cn2)C[C@H](C2CC2)O1 ZINC000873209880 589995004 /nfs/dbraw/zinc/99/50/04/589995004.db2.gz UZIFYRZKMMCLNV-JOYOIKCWSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@H](C2CC2)O1 ZINC000873209880 589995005 /nfs/dbraw/zinc/99/50/05/589995005.db2.gz UZIFYRZKMMCLNV-JOYOIKCWSA-N 1 2 248.330 1.058 20 0 BDADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)=O ZINC000873359291 590030147 /nfs/dbraw/zinc/03/01/47/590030147.db2.gz BPEMQQBHNLBLCW-NWDGAFQWSA-N 1 2 241.331 1.772 20 0 BDADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)=O ZINC000873359291 590030151 /nfs/dbraw/zinc/03/01/51/590030151.db2.gz BPEMQQBHNLBLCW-NWDGAFQWSA-N 1 2 241.331 1.772 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)NC1=[NH+]CCS1 ZINC000873838054 590073888 /nfs/dbraw/zinc/07/38/88/590073888.db2.gz PQCPNBYHQGUGFZ-ZETCQYMHSA-N 1 2 230.333 1.003 20 0 BDADLO Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874063183 590089367 /nfs/dbraw/zinc/08/93/67/590089367.db2.gz AIMRRBVBVMIFGY-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874063183 590089369 /nfs/dbraw/zinc/08/93/69/590089369.db2.gz AIMRRBVBVMIFGY-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO C[C@@H](O)c1ccc(N2CCCOCC2)[nH+]c1 ZINC000124937868 590102486 /nfs/dbraw/zinc/10/24/86/590102486.db2.gz CXKZSPHKXVAKCZ-SNVBAGLBSA-N 1 2 222.288 1.362 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(F)nc1 ZINC000125148509 590126433 /nfs/dbraw/zinc/12/64/33/590126433.db2.gz ZXMISQDLDPTVCG-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CC12CCC2)n1cc[nH+]c1 ZINC000874771316 590127301 /nfs/dbraw/zinc/12/73/01/590127301.db2.gz CVLFREPFFDMXQF-WDEREUQCSA-N 1 2 233.315 1.893 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC23CCC3)[nH+]1 ZINC000874771944 590127937 /nfs/dbraw/zinc/12/79/37/590127937.db2.gz IMTSTDDUISLWDP-SNVBAGLBSA-N 1 2 233.315 1.573 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CCC2 ZINC000874777014 590128773 /nfs/dbraw/zinc/12/87/73/590128773.db2.gz IBYBBLNHGCHTDI-GXSJLCMTSA-N 1 2 233.315 1.647 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CCC2 ZINC000874777014 590128774 /nfs/dbraw/zinc/12/87/74/590128774.db2.gz IBYBBLNHGCHTDI-GXSJLCMTSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000874776423 590128953 /nfs/dbraw/zinc/12/89/53/590128953.db2.gz CBUPDWJKRXAWDL-GHMZBOCLSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000874776355 590129085 /nfs/dbraw/zinc/12/90/85/590129085.db2.gz AHGATEOUBOUVBA-GHMZBOCLSA-N 1 2 245.326 1.504 20 0 BDADLO CC1(NC(=O)CCc2[nH]cc[nH+]2)CC(F)(F)C1 ZINC000874852890 590147432 /nfs/dbraw/zinc/14/74/32/590147432.db2.gz JFDUJFTZKNXBTR-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO CCON(CC)C(=O)NCc1[nH+]ccn1CC ZINC000875636299 590167268 /nfs/dbraw/zinc/16/72/68/590167268.db2.gz LHMODYYSMXABGX-UHFFFAOYSA-N 1 2 240.307 1.386 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc3c(cnn3C)c2)CCO1 ZINC000876557993 590215973 /nfs/dbraw/zinc/21/59/73/590215973.db2.gz NLAAOWJCIMTSLP-JTQLQIEISA-N 1 2 246.314 1.189 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc3c(cnn3C)c2)CCO1 ZINC000876557993 590215974 /nfs/dbraw/zinc/21/59/74/590215974.db2.gz NLAAOWJCIMTSLP-JTQLQIEISA-N 1 2 246.314 1.189 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(C)cc1F ZINC000876577631 590217968 /nfs/dbraw/zinc/21/79/68/590217968.db2.gz HGILIDWMPGRPOE-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(C)cc1F ZINC000876577631 590217970 /nfs/dbraw/zinc/21/79/70/590217970.db2.gz HGILIDWMPGRPOE-UHFFFAOYSA-N 1 2 238.306 1.702 20 0 BDADLO CSC(C)(C)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000876751014 590238401 /nfs/dbraw/zinc/23/84/01/590238401.db2.gz ZUEMEDMQOZVZMD-UHFFFAOYSA-N 1 2 228.365 1.768 20 0 BDADLO CSC(C)(C)CC[N@H+](C)Cc1nnc[nH]1 ZINC000876751014 590238398 /nfs/dbraw/zinc/23/83/98/590238398.db2.gz ZUEMEDMQOZVZMD-UHFFFAOYSA-N 1 2 228.365 1.768 20 0 BDADLO O=C(OCCF)c1ccnc(-n2cc[nH+]c2)c1 ZINC000126166799 590245231 /nfs/dbraw/zinc/24/52/31/590245231.db2.gz VHTLGWFMLVNXMM-UHFFFAOYSA-N 1 2 235.218 1.394 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nc(Cl)cs1 ZINC000877320874 590315056 /nfs/dbraw/zinc/31/50/56/590315056.db2.gz ZZMANCVQPPGFMD-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877320874 590315059 /nfs/dbraw/zinc/31/50/59/590315059.db2.gz ZZMANCVQPPGFMD-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO COC1(C)C[NH+](Cc2cnc3c(cnn3C)c2)C1 ZINC000877533355 590350346 /nfs/dbraw/zinc/35/03/46/590350346.db2.gz NDFGTURYGUBMRZ-UHFFFAOYSA-N 1 2 246.314 1.189 20 0 BDADLO Cc1noc(C2C[NH+](Cc3ccns3)C2)n1 ZINC000877580055 590364447 /nfs/dbraw/zinc/36/44/47/590364447.db2.gz KISDNZIYHQHDBN-UHFFFAOYSA-N 1 2 236.300 1.434 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000877629704 590377918 /nfs/dbraw/zinc/37/79/18/590377918.db2.gz VKYDIWRJJNVSIL-NEPJUHHUSA-N 1 2 244.298 1.083 20 0 BDADLO C[N@H+](Cc1nc(Cl)cs1)C1(CO)CC1 ZINC000877641586 590382897 /nfs/dbraw/zinc/38/28/97/590382897.db2.gz ADEKDRBFZUMLBU-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO C[N@@H+](Cc1nc(Cl)cs1)C1(CO)CC1 ZINC000877641586 590382901 /nfs/dbraw/zinc/38/29/01/590382901.db2.gz ADEKDRBFZUMLBU-UHFFFAOYSA-N 1 2 232.736 1.753 20 0 BDADLO Clc1csc(CNCc2[nH]cc[nH+]2)n1 ZINC000877673736 590390239 /nfs/dbraw/zinc/39/02/39/590390239.db2.gz QSMMYEVGJJUJAO-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO Cc1[nH]c(CN2C[C@H](O)CC(C)(C)C2)[nH+]c1C ZINC000877751438 590416016 /nfs/dbraw/zinc/41/60/16/590416016.db2.gz GFOONXLGYWMLDW-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO CC(C)(C)OC1C[NH+](Cc2cnn3c2CCC3)C1 ZINC000877770775 590422057 /nfs/dbraw/zinc/42/20/57/590422057.db2.gz ZPCHXUOQQOGADF-UHFFFAOYSA-N 1 2 249.358 1.829 20 0 BDADLO Cc1nocc1NC(=O)NCCn1cc[nH+]c1 ZINC000888751732 590426766 /nfs/dbraw/zinc/42/67/66/590426766.db2.gz NMJVZOFQGJQLJL-UHFFFAOYSA-N 1 2 235.247 1.001 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877812923 590426917 /nfs/dbraw/zinc/42/69/17/590426917.db2.gz UZDNTDDGUQENSW-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877812923 590426918 /nfs/dbraw/zinc/42/69/18/590426918.db2.gz UZDNTDDGUQENSW-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)nn1 ZINC000877812429 590427536 /nfs/dbraw/zinc/42/75/36/590427536.db2.gz PVCAFFYRXHCGGT-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)nn1 ZINC000877812429 590427537 /nfs/dbraw/zinc/42/75/37/590427537.db2.gz PVCAFFYRXHCGGT-VIFPVBQESA-N 1 2 248.252 1.589 20 0 BDADLO O=C1C[N@H+](CC[C@H]2CCCC2(F)F)CCN1 ZINC000877905908 590444469 /nfs/dbraw/zinc/44/44/69/590444469.db2.gz FJPJVABZPJLWNJ-SECBINFHSA-N 1 2 232.274 1.244 20 0 BDADLO O=C1C[N@@H+](CC[C@H]2CCCC2(F)F)CCN1 ZINC000877905908 590444471 /nfs/dbraw/zinc/44/44/71/590444471.db2.gz FJPJVABZPJLWNJ-SECBINFHSA-N 1 2 232.274 1.244 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000877920899 590447504 /nfs/dbraw/zinc/44/75/04/590447504.db2.gz ATQODZRPJOHVRT-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000877920899 590447505 /nfs/dbraw/zinc/44/75/05/590447505.db2.gz ATQODZRPJOHVRT-SNVBAGLBSA-N 1 2 227.304 1.050 20 0 BDADLO CC(C)[C@H](O)CC[N@H+](C)Cc1cscn1 ZINC000877996109 590468521 /nfs/dbraw/zinc/46/85/21/590468521.db2.gz NKVOHKWCBNEVKR-LLVKDONJSA-N 1 2 228.361 1.982 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+](C)Cc1cscn1 ZINC000877996109 590468523 /nfs/dbraw/zinc/46/85/23/590468523.db2.gz NKVOHKWCBNEVKR-LLVKDONJSA-N 1 2 228.361 1.982 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1nocc1C ZINC000878035599 590477249 /nfs/dbraw/zinc/47/72/49/590477249.db2.gz ZNFUOYFQBFTIDY-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1nocc1C ZINC000878035599 590477251 /nfs/dbraw/zinc/47/72/51/590477251.db2.gz ZNFUOYFQBFTIDY-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO O=S1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878093355 590492098 /nfs/dbraw/zinc/49/20/98/590492098.db2.gz IUMTZUBGPAVFMX-SDDRHHMPSA-N 1 2 243.372 1.008 20 0 BDADLO Cc1conc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000878103458 590495315 /nfs/dbraw/zinc/49/53/15/590495315.db2.gz LAVGPXDDOUXZBY-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1conc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000878103458 590495316 /nfs/dbraw/zinc/49/53/16/590495316.db2.gz LAVGPXDDOUXZBY-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1conc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000878176936 590516163 /nfs/dbraw/zinc/51/61/63/590516163.db2.gz PILSRFFFWDFQDB-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC=CCC1 ZINC000878385492 590557782 /nfs/dbraw/zinc/55/77/82/590557782.db2.gz ZHVWTKWFVODBIQ-UHFFFAOYSA-N 1 2 245.388 1.852 20 0 BDADLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC=CCC1 ZINC000878385492 590557784 /nfs/dbraw/zinc/55/77/84/590557784.db2.gz ZHVWTKWFVODBIQ-UHFFFAOYSA-N 1 2 245.388 1.852 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000878466240 590573494 /nfs/dbraw/zinc/57/34/94/590573494.db2.gz IXROKGZRTVQQAC-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000878466240 590573495 /nfs/dbraw/zinc/57/34/95/590573495.db2.gz IXROKGZRTVQQAC-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000878536939 590588674 /nfs/dbraw/zinc/58/86/74/590588674.db2.gz FCINHYQBQARBNB-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000878536939 590588676 /nfs/dbraw/zinc/58/86/76/590588676.db2.gz FCINHYQBQARBNB-GHMZBOCLSA-N 1 2 243.347 1.827 20 0 BDADLO C=C/C=C/CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000878539596 590588908 /nfs/dbraw/zinc/58/89/08/590588908.db2.gz QDAOYDGXGGGHDW-ONEGZZNKSA-N 1 2 248.330 1.822 20 0 BDADLO CC1(C)CO[C@H](C[NH2+][C@]2(C)CCOC2=O)C1 ZINC000878632329 590598152 /nfs/dbraw/zinc/59/81/52/590598152.db2.gz PDSXMMLXEKBBFL-JOYOIKCWSA-N 1 2 227.304 1.097 20 0 BDADLO FC(F)Cn1cc[nH+]c1CN1CC[C@@H](F)C1 ZINC000878662530 590605238 /nfs/dbraw/zinc/60/52/38/590605238.db2.gz PZXFJUSDUNGXMI-MRVPVSSYSA-N 1 2 233.237 1.692 20 0 BDADLO CC[C@@H](C)N1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC000878684713 590609137 /nfs/dbraw/zinc/60/91/37/590609137.db2.gz YMRWCVCIXYZHGG-KGLIPLIRSA-N 1 2 242.407 1.810 20 0 BDADLO ClC1=CCCN(CCC[NH+]2CCOCC2)C1 ZINC000878791210 590623842 /nfs/dbraw/zinc/62/38/42/590623842.db2.gz IVMPOSQOXVNYJG-UHFFFAOYSA-N 1 2 244.766 1.537 20 0 BDADLO Cc1nonc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878875928 590637924 /nfs/dbraw/zinc/63/79/24/590637924.db2.gz HEICYYSYOYNJFH-LLVKDONJSA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nonc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878875928 590637925 /nfs/dbraw/zinc/63/79/25/590637925.db2.gz HEICYYSYOYNJFH-LLVKDONJSA-N 1 2 233.275 1.438 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@@H](O)C(C)C)o1 ZINC000878920959 590652732 /nfs/dbraw/zinc/65/27/32/590652732.db2.gz JNWXBUPEQMFLLX-SNVBAGLBSA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@@H](O)C(C)C)o1 ZINC000878920959 590652734 /nfs/dbraw/zinc/65/27/34/590652734.db2.gz JNWXBUPEQMFLLX-SNVBAGLBSA-N 1 2 227.308 1.217 20 0 BDADLO CO[C@@H]1C[N@@H+](C2CC(OC(C)(C)C)C2)CCO1 ZINC000878969764 590663688 /nfs/dbraw/zinc/66/36/88/590663688.db2.gz BSEXXWVXSQPNSP-MCIGGMRASA-N 1 2 243.347 1.637 20 0 BDADLO CO[C@@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CCO1 ZINC000878969764 590663691 /nfs/dbraw/zinc/66/36/91/590663691.db2.gz BSEXXWVXSQPNSP-MCIGGMRASA-N 1 2 243.347 1.637 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000878969867 590663930 /nfs/dbraw/zinc/66/39/30/590663930.db2.gz FOWADHNNGJWFTA-JTQLQIEISA-N 1 2 213.302 1.553 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000878969867 590663933 /nfs/dbraw/zinc/66/39/33/590663933.db2.gz FOWADHNNGJWFTA-JTQLQIEISA-N 1 2 213.302 1.553 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000878970065 590664912 /nfs/dbraw/zinc/66/49/12/590664912.db2.gz JANPMZYNDOEYKZ-AWEZNQCLSA-N 1 2 249.310 1.522 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC000878970065 590664914 /nfs/dbraw/zinc/66/49/14/590664914.db2.gz JANPMZYNDOEYKZ-AWEZNQCLSA-N 1 2 249.310 1.522 20 0 BDADLO CO[C@H]1C[C@H](CNC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000879071829 590691742 /nfs/dbraw/zinc/69/17/42/590691742.db2.gz WQNMMLCUPDIYEZ-UMSPYCQHSA-N 1 2 249.314 1.358 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](CF)C1 ZINC000879072698 590692347 /nfs/dbraw/zinc/69/23/47/590692347.db2.gz IYXDGZHUFNINIW-SNVBAGLBSA-N 1 2 237.278 1.635 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC(F)CC1 ZINC000879073163 590692377 /nfs/dbraw/zinc/69/23/77/590692377.db2.gz QQUYNQMECAQIHK-UHFFFAOYSA-N 1 2 237.278 1.778 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2noc(C)n2)C1 ZINC000879322587 590742871 /nfs/dbraw/zinc/74/28/71/590742871.db2.gz WUURSDXHPDBPHJ-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2noc(C)n2)C1 ZINC000879322587 590742875 /nfs/dbraw/zinc/74/28/75/590742875.db2.gz WUURSDXHPDBPHJ-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cnsn2)C1 ZINC000879325091 590746307 /nfs/dbraw/zinc/74/63/07/590746307.db2.gz LCAFHCNCJPWDQT-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnsn2)C1 ZINC000879325091 590746309 /nfs/dbraw/zinc/74/63/09/590746309.db2.gz LCAFHCNCJPWDQT-PSASIEDQSA-N 1 2 227.333 1.537 20 0 BDADLO CCOCC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501679 590783249 /nfs/dbraw/zinc/78/32/49/590783249.db2.gz POQIQASOKQRWFK-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CCOCC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879501679 590783251 /nfs/dbraw/zinc/78/32/51/590783251.db2.gz POQIQASOKQRWFK-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](O)CC(C)(C)C2)no1 ZINC000879624463 590837268 /nfs/dbraw/zinc/83/72/68/590837268.db2.gz UQMJPHUCNWGIEY-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H](O)CC(C)(C)C2)no1 ZINC000879624463 590837272 /nfs/dbraw/zinc/83/72/72/590837272.db2.gz UQMJPHUCNWGIEY-WPRPVWTQSA-N 1 2 239.319 1.532 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879747168 590861585 /nfs/dbraw/zinc/86/15/85/590861585.db2.gz CNIXNJVBUOFCBL-GFCCVEGCSA-N 1 2 234.299 1.700 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879747168 590861588 /nfs/dbraw/zinc/86/15/88/590861588.db2.gz CNIXNJVBUOFCBL-GFCCVEGCSA-N 1 2 234.299 1.700 20 0 BDADLO Cc1conc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000879787549 590870364 /nfs/dbraw/zinc/87/03/64/590870364.db2.gz KEAXTKIFGKBQAY-SNVBAGLBSA-N 1 2 232.287 1.804 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cnon2)C1 ZINC000880003484 590906528 /nfs/dbraw/zinc/90/65/28/590906528.db2.gz HSQMYEQZOHMHNE-QMMMGPOBSA-N 1 2 235.209 1.844 20 0 BDADLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnon2)C1 ZINC000880003484 590906530 /nfs/dbraw/zinc/90/65/30/590906530.db2.gz HSQMYEQZOHMHNE-QMMMGPOBSA-N 1 2 235.209 1.844 20 0 BDADLO O[C@H]1C[C@]([NH2+]Cc2c[nH]cn2)(c2ccccc2)C1 ZINC000880222408 590960576 /nfs/dbraw/zinc/96/05/76/590960576.db2.gz QEKSAUVPZQMDNY-OKILXGFUSA-N 1 2 243.310 1.550 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@H](CF)C2)n1 ZINC000880230988 590962495 /nfs/dbraw/zinc/96/24/95/590962495.db2.gz RWIMTXSWKGXDMX-SECBINFHSA-N 1 2 227.283 1.814 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@H](CF)C2)n1 ZINC000880230988 590962498 /nfs/dbraw/zinc/96/24/98/590962498.db2.gz RWIMTXSWKGXDMX-SECBINFHSA-N 1 2 227.283 1.814 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@H](CF)C1 ZINC000880299927 590994995 /nfs/dbraw/zinc/99/49/95/590994995.db2.gz MHUIFCDJUPOVTK-HTQZYQBOSA-N 1 2 215.297 1.891 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@H](CF)C1 ZINC000880299927 590994997 /nfs/dbraw/zinc/99/49/97/590994997.db2.gz MHUIFCDJUPOVTK-HTQZYQBOSA-N 1 2 215.297 1.891 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880316656 591004146 /nfs/dbraw/zinc/00/41/46/591004146.db2.gz JLWILUKBWUYGFO-DTWKUNHWSA-N 1 2 238.312 1.248 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316656 591004149 /nfs/dbraw/zinc/00/41/49/591004149.db2.gz JLWILUKBWUYGFO-DTWKUNHWSA-N 1 2 238.312 1.248 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880316434 591004338 /nfs/dbraw/zinc/00/43/38/591004338.db2.gz CKBYWAQCLKMOFM-VIFPVBQESA-N 1 2 249.343 1.261 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316434 591004341 /nfs/dbraw/zinc/00/43/41/591004341.db2.gz CKBYWAQCLKMOFM-VIFPVBQESA-N 1 2 249.343 1.261 20 0 BDADLO CC(=O)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880368021 591012050 /nfs/dbraw/zinc/01/20/50/591012050.db2.gz RJDHQFIEQUPBCE-UHFFFAOYSA-N 1 2 205.261 1.034 20 0 BDADLO C[C@H]1c2sccc2CC[N@H+]1Cc1nncn1C ZINC000880377577 591017045 /nfs/dbraw/zinc/01/70/45/591017045.db2.gz ZLNRRSUHENTFTE-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1nncn1C ZINC000880377577 591017049 /nfs/dbraw/zinc/01/70/49/591017049.db2.gz ZLNRRSUHENTFTE-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC000880418770 591027893 /nfs/dbraw/zinc/02/78/93/591027893.db2.gz NTVFCTIUURWDFZ-YSILXZLZSA-N 1 2 208.088 1.372 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC000880418770 591027897 /nfs/dbraw/zinc/02/78/97/591027897.db2.gz NTVFCTIUURWDFZ-YSILXZLZSA-N 1 2 208.088 1.372 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000128447616 591057601 /nfs/dbraw/zinc/05/76/01/591057601.db2.gz NPCHMUSYDKRFPN-GHMZBOCLSA-N 1 2 229.320 1.344 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880504097 591077999 /nfs/dbraw/zinc/07/79/99/591077999.db2.gz SDAKCFAAKUTXNE-PWSUYJOCSA-N 1 2 227.304 1.241 20 0 BDADLO OC1(c2cn(Cc3[nH]cc[nH+]3)nn2)CCCCC1 ZINC000880948867 591154217 /nfs/dbraw/zinc/15/42/17/591154217.db2.gz KJCZQGKWGAJEMJ-UHFFFAOYSA-N 1 2 247.302 1.201 20 0 BDADLO Cc1cc(Cn2cc(CC(C)(C)O)nn2)cc[nH+]1 ZINC000881323502 591190202 /nfs/dbraw/zinc/19/02/02/591190202.db2.gz KARVRXBVQWTVIK-UHFFFAOYSA-N 1 2 246.314 1.343 20 0 BDADLO C[C@@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000881480030 591209864 /nfs/dbraw/zinc/20/98/64/591209864.db2.gz LAXYTRMBEGFMBV-SNVBAGLBSA-N 1 2 207.277 1.284 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000881498356 591220956 /nfs/dbraw/zinc/22/09/56/591220956.db2.gz ISCOLJWDJWUZBT-WDEREUQCSA-N 1 2 245.326 1.597 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000881498356 591220958 /nfs/dbraw/zinc/22/09/58/591220958.db2.gz ISCOLJWDJWUZBT-WDEREUQCSA-N 1 2 245.326 1.597 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1(CC2CC2)CC1 ZINC000881520264 591228089 /nfs/dbraw/zinc/22/80/89/591228089.db2.gz KDYHXDQEXQTPGW-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC[C@]1(C)CC1(C)C ZINC000881542613 591235867 /nfs/dbraw/zinc/23/58/67/591235867.db2.gz ASYUDBSCKBQWKQ-AWEZNQCLSA-N 1 2 249.358 1.905 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000881564284 591240204 /nfs/dbraw/zinc/24/02/04/591240204.db2.gz QGVJHQCCCWTQQT-MVZIDQBPSA-N 1 2 245.326 1.694 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000881571241 591244791 /nfs/dbraw/zinc/24/47/91/591244791.db2.gz XQQVDYCPHCVBFZ-SGUJLRQBSA-N 1 2 233.315 1.837 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000881571241 591244793 /nfs/dbraw/zinc/24/47/93/591244793.db2.gz XQQVDYCPHCVBFZ-SGUJLRQBSA-N 1 2 233.315 1.837 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC(F)CC1 ZINC000881610984 591256566 /nfs/dbraw/zinc/25/65/66/591256566.db2.gz DPPNURASOUNKEM-UHFFFAOYSA-N 1 2 239.294 1.313 20 0 BDADLO Cc1[nH+]cnc(NCCn2cccn2)c1C ZINC000881836398 591274021 /nfs/dbraw/zinc/27/40/21/591274021.db2.gz WYAJDNCUOFIOOB-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO Cc1[nH+]cnc(NCC2(O)CCC2)c1C ZINC000881956724 591284321 /nfs/dbraw/zinc/28/43/21/591284321.db2.gz YAUPCXGQUGTCOC-UHFFFAOYSA-N 1 2 207.277 1.420 20 0 BDADLO COCC[C@@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000881969347 591284906 /nfs/dbraw/zinc/28/49/06/591284906.db2.gz MXMRJFYWAAJXIJ-GFCCVEGCSA-N 1 2 239.319 1.293 20 0 BDADLO CCc1cc(CNc2cc(CO)cc[nH+]2)[nH]n1 ZINC000881977926 591285123 /nfs/dbraw/zinc/28/51/23/591285123.db2.gz DZVKZQQSDUHAKF-UHFFFAOYSA-N 1 2 232.287 1.472 20 0 BDADLO CCc1cc(CNc2cc(CO)cc[nH+]2)n[nH]1 ZINC000881977926 591285127 /nfs/dbraw/zinc/28/51/27/591285127.db2.gz DZVKZQQSDUHAKF-UHFFFAOYSA-N 1 2 232.287 1.472 20 0 BDADLO Cc1[nH+]cnc(NCC2(C)COC2)c1C ZINC000881981492 591285567 /nfs/dbraw/zinc/28/55/67/591285567.db2.gz FGQGARROIXNEQL-UHFFFAOYSA-N 1 2 207.277 1.542 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCC[C@H](C(N)=O)C2)c1C ZINC000882000886 591286588 /nfs/dbraw/zinc/28/65/88/591286588.db2.gz HEJWYMIFZWVYIW-QWRGUYRKSA-N 1 2 248.330 1.549 20 0 BDADLO CS[C@@H](CO)[C@H](C)Nc1nc[nH+]c(C)c1C ZINC000882004206 591286711 /nfs/dbraw/zinc/28/67/11/591286711.db2.gz AJCGEKFTUXAUGS-UWVGGRQHSA-N 1 2 241.360 1.618 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCC[C@@H](C(N)=O)C2)c1C ZINC000882000884 591286987 /nfs/dbraw/zinc/28/69/87/591286987.db2.gz HEJWYMIFZWVYIW-GHMZBOCLSA-N 1 2 248.330 1.549 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](C)C[C@@H](C)O)c1C ZINC000882007678 591287449 /nfs/dbraw/zinc/28/74/49/591287449.db2.gz LTUHMJAWVOIUCW-RKDXNWHRSA-N 1 2 223.320 1.912 20 0 BDADLO C[C@](O)(CNc1cc(CO)cc[nH+]1)c1ccco1 ZINC000882019304 591288139 /nfs/dbraw/zinc/28/81/39/591288139.db2.gz LTZAXSYZDNMREO-ZDUSSCGKSA-N 1 2 248.282 1.487 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2CCCN(C(N)=O)C2)c1C ZINC000882036061 591290383 /nfs/dbraw/zinc/29/03/83/591290383.db2.gz VGFUOVMYJCGSDL-SNVBAGLBSA-N 1 2 249.318 1.048 20 0 BDADLO Cc1[nH+]cnc(NC[C@]2(O)CCSC2)c1C ZINC000882049271 591291578 /nfs/dbraw/zinc/29/15/78/591291578.db2.gz OKJVUVJKIZFUDI-LLVKDONJSA-N 1 2 239.344 1.373 20 0 BDADLO Cc1cnc(C)c(N2CC(n3cc[nH+]c3)C2)n1 ZINC000882085013 591295088 /nfs/dbraw/zinc/29/50/88/591295088.db2.gz SFKLPTRDKQLJAB-UHFFFAOYSA-N 1 2 229.287 1.351 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H]([C@@H]3CCOC3)C2)c1C ZINC000882125102 591301881 /nfs/dbraw/zinc/30/18/81/591301881.db2.gz MGPOPPJXYULGCM-QWHCGFSZSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH+]cnc(N(C)CC2CCOCC2)c1C ZINC000882149635 591305856 /nfs/dbraw/zinc/30/58/56/591305856.db2.gz HHQMWSJFNVZMHK-UHFFFAOYSA-N 1 2 235.331 1.956 20 0 BDADLO Cc1[nH+]cnc(NCc2cc[nH]c(=O)c2)c1C ZINC000882148805 591306027 /nfs/dbraw/zinc/30/60/27/591306027.db2.gz ZNKSWGXZDHNXQC-UHFFFAOYSA-N 1 2 230.271 1.806 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]([C@@H](C)O)C2)c1C ZINC000882168286 591310107 /nfs/dbraw/zinc/31/01/07/591310107.db2.gz FIJFRFAWUXGDDO-GHMZBOCLSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1[nH+]cnc(N2CCC(C)(CO)CC2)c1C ZINC000882188941 591313349 /nfs/dbraw/zinc/31/33/49/591313349.db2.gz KSKSHUWPYRLISD-UHFFFAOYSA-N 1 2 235.331 1.692 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](O)[C@H](C)C2)c1C ZINC000882209402 591316080 /nfs/dbraw/zinc/31/60/80/591316080.db2.gz BAFVQXZYJDRGCD-KCJUWKMLSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1[nH+]cnc(NCC2OCCCO2)c1C ZINC000882239841 591319997 /nfs/dbraw/zinc/31/99/97/591319997.db2.gz KWQHDMBOEMNRTO-UHFFFAOYSA-N 1 2 223.276 1.268 20 0 BDADLO CNC(=O)[C@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882297831 591327064 /nfs/dbraw/zinc/32/70/64/591327064.db2.gz HPUQKJKLIOJKPE-CYBMUJFWSA-N 1 2 248.330 1.056 20 0 BDADLO CO[C@H]1CCN(c2nc[nH+]c(C)c2C)C[C@@H]1C ZINC000882419087 591345612 /nfs/dbraw/zinc/34/56/12/591345612.db2.gz BVJUGQCTYFTLLK-CABZTGNLSA-N 1 2 235.331 1.955 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1nc[nH+]c(C)c1C ZINC000882427597 591346936 /nfs/dbraw/zinc/34/69/36/591346936.db2.gz VIPOUBHXOYIHQA-SSDOTTSWSA-N 1 2 222.292 1.030 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@]2(O)CCOC2)c1C ZINC000882526908 591382424 /nfs/dbraw/zinc/38/24/24/591382424.db2.gz SVOVHSFEZNDJNI-GFCCVEGCSA-N 1 2 237.303 1.047 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@]23CCCO3)c[nH+]1 ZINC000882607844 591398493 /nfs/dbraw/zinc/39/84/93/591398493.db2.gz RHXPRVSBPRCIPQ-YPMHNXCESA-N 1 2 249.314 1.550 20 0 BDADLO Cc1[nH+]cnc(NCCO[C@@H]2CC2(F)F)c1C ZINC000882615586 591400486 /nfs/dbraw/zinc/40/04/86/591400486.db2.gz VLUALYYVPWYESQ-SECBINFHSA-N 1 2 243.257 1.930 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1C ZINC000882617864 591400834 /nfs/dbraw/zinc/40/08/34/591400834.db2.gz XFFMAMPRSKBCJG-GDGBQDQQSA-N 1 2 235.331 1.547 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2C[C@@H](O)C23CCC3)c1C ZINC000882621973 591401458 /nfs/dbraw/zinc/40/14/58/591401458.db2.gz DYIGGCCAZNIGEU-WDEREUQCSA-N 1 2 233.315 1.809 20 0 BDADLO CC(C)(CNc1ncc(C=O)cn1)n1cc[nH+]c1 ZINC000882625560 591402672 /nfs/dbraw/zinc/40/26/72/591402672.db2.gz JYTJJQCODQIXFI-UHFFFAOYSA-N 1 2 245.286 1.333 20 0 BDADLO Cc1[nH+]cnc(N2CCC3(COC3)C2)c1C ZINC000882632953 591405223 /nfs/dbraw/zinc/40/52/23/591405223.db2.gz BKFOJLJSGHTJED-UHFFFAOYSA-N 1 2 219.288 1.320 20 0 BDADLO COC(=O)C1=CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000882651096 591407335 /nfs/dbraw/zinc/40/73/35/591407335.db2.gz MPJKJNDKUPSANW-VIFPVBQESA-N 1 2 236.246 1.316 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H]3CCC[C@]3(CO)C2)c1C ZINC000882663280 591407942 /nfs/dbraw/zinc/40/79/42/591407942.db2.gz MAJGBZFSDQQJEK-GXTWGEPZSA-N 1 2 247.342 1.692 20 0 BDADLO CS[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1 ZINC000882687847 591411143 /nfs/dbraw/zinc/41/11/43/591411143.db2.gz KJAPULSOHGXHMI-ZKCHVHJHSA-N 1 2 212.293 1.949 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1C ZINC000882681201 591411754 /nfs/dbraw/zinc/41/17/54/591411754.db2.gz LFXDJZPFTOULFB-NWBUJAPZSA-N 1 2 245.326 1.929 20 0 BDADLO C[C@H](O)CSc1[nH+]cnc2[nH]ccc21 ZINC000882738572 591424896 /nfs/dbraw/zinc/42/48/96/591424896.db2.gz ZSCWELFDIWKGPO-LURJTMIESA-N 1 2 209.274 1.431 20 0 BDADLO C=C/C=C/CCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000882796414 591441841 /nfs/dbraw/zinc/44/18/41/591441841.db2.gz WRENPQRONCBMBK-ZWNMCFTASA-N 1 2 248.330 1.814 20 0 BDADLO C=C/C=C/CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000882796414 591441842 /nfs/dbraw/zinc/44/18/42/591441842.db2.gz WRENPQRONCBMBK-ZWNMCFTASA-N 1 2 248.330 1.814 20 0 BDADLO C[C@H](O)c1ccc(N2CCCO[C@@H](C)C2)[nH+]c1 ZINC000213278666 591458261 /nfs/dbraw/zinc/45/82/61/591458261.db2.gz BOCFHNBEIYTLGM-QWRGUYRKSA-N 1 2 236.315 1.750 20 0 BDADLO COC[C@H]1C[C@@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882906847 591473661 /nfs/dbraw/zinc/47/36/61/591473661.db2.gz YQAOXBFWENUVHG-PHIMTYICSA-N 1 2 221.304 1.930 20 0 BDADLO CC(C)OCC(N)=[NH+]O[C@@H](C)c1ncccn1 ZINC000882960103 591486187 /nfs/dbraw/zinc/48/61/87/591486187.db2.gz ABXPXCKWHPFJCO-VIFPVBQESA-N 1 2 238.291 1.461 20 0 BDADLO NC(CO)=[NH+]OCCCCC(F)(F)F ZINC000883011987 591513324 /nfs/dbraw/zinc/51/33/24/591513324.db2.gz PETJHXRHIPXRTM-UHFFFAOYSA-N 1 2 214.187 1.210 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCCOC(F)(F)F ZINC000882981656 591490875 /nfs/dbraw/zinc/49/08/75/591490875.db2.gz PVXWBTVPQVXTCF-LURJTMIESA-N 1 2 244.213 1.446 20 0 BDADLO C=C/C=C/CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000882990626 591497696 /nfs/dbraw/zinc/49/76/96/591497696.db2.gz SQVBOIGNBVHRHS-HMDXOVGESA-N 1 2 210.277 1.796 20 0 BDADLO Cc1ncc(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000882990523 591497838 /nfs/dbraw/zinc/49/78/38/591497838.db2.gz PHVSLEPOQJQOBC-SECBINFHSA-N 1 2 225.248 1.160 20 0 BDADLO Cc1nc(N2CCC3(CC2)COCCO3)cc[nH+]1 ZINC000882996951 591500240 /nfs/dbraw/zinc/50/02/40/591500240.db2.gz PLQZZXBXTAFRMA-UHFFFAOYSA-N 1 2 249.314 1.171 20 0 BDADLO Cc1cccc(C)c1OCCO[NH+]=C(N)CO ZINC000883009354 591509417 /nfs/dbraw/zinc/50/94/17/591509417.db2.gz FJKBOODSXRWSQH-UHFFFAOYSA-N 1 2 238.287 1.173 20 0 BDADLO NC(CO)=[NH+]O[C@H]1CCCc2ccccc21 ZINC000883011727 591510357 /nfs/dbraw/zinc/51/03/57/591510357.db2.gz HKYZRMYVKOKNLT-NSHDSACASA-N 1 2 220.272 1.555 20 0 BDADLO C[C@@H](CO[NH+]=C(N)CO)C1CCCCC1 ZINC000883012464 591512429 /nfs/dbraw/zinc/51/24/29/591512429.db2.gz HKBWUKUVMZETDP-VIFPVBQESA-N 1 2 214.309 1.694 20 0 BDADLO NC(CO)=[NH+]OCC/C=C/c1ccccc1 ZINC000883012854 591512919 /nfs/dbraw/zinc/51/29/19/591512919.db2.gz VVHFCMUOPLODJG-XBXARRHUSA-N 1 2 220.272 1.581 20 0 BDADLO Cc1cc(CO[NH+]=C(N)CO)cc(Cl)n1 ZINC000883012373 591513156 /nfs/dbraw/zinc/51/31/56/591513156.db2.gz DBQRETDBIFMDJW-UHFFFAOYSA-N 1 2 229.667 1.034 20 0 BDADLO Cc1nnc([C@H](C)O[NH+]=C(N)c2ccccc2)o1 ZINC000883048333 591528387 /nfs/dbraw/zinc/52/83/87/591528387.db2.gz MRZRBVUMMPBKJM-QMMMGPOBSA-N 1 2 246.270 1.986 20 0 BDADLO CC[C@H](O[NH+]=C(N)c1ccccc1C)C(N)=O ZINC000883059197 591531501 /nfs/dbraw/zinc/53/15/01/591531501.db2.gz OHKPDBRHVBTRAY-JTQLQIEISA-N 1 2 235.287 1.105 20 0 BDADLO Cc1nc(CC[NH2+]Cc2nc(C(C)C)c[nH]2)n[nH]1 ZINC000883080852 591538041 /nfs/dbraw/zinc/53/80/41/591538041.db2.gz NAGCLQFBSZTMNF-UHFFFAOYSA-N 1 2 248.334 1.292 20 0 BDADLO Cc1nnc(CC[NH2+]Cc2nc(C(C)C)c[nH]2)[nH]1 ZINC000883080852 591538045 /nfs/dbraw/zinc/53/80/45/591538045.db2.gz NAGCLQFBSZTMNF-UHFFFAOYSA-N 1 2 248.334 1.292 20 0 BDADLO C=C/C=C\CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883143418 591550461 /nfs/dbraw/zinc/55/04/61/591550461.db2.gz KEQNQAMOWMGCSW-QMAVJUDZSA-N 1 2 248.330 1.703 20 0 BDADLO COCC[N@H+](C)Cn1cc(C)cnc1=S ZINC000131467802 591610503 /nfs/dbraw/zinc/61/05/03/591610503.db2.gz MYTCNUJAEKKRQO-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO COCC[N@@H+](C)Cn1cc(C)cnc1=S ZINC000131467802 591610505 /nfs/dbraw/zinc/61/05/05/591610505.db2.gz MYTCNUJAEKKRQO-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO C[C@H](NC1(c2ncccn2)CCC1)c1[nH]cc[nH+]1 ZINC000883311886 591611146 /nfs/dbraw/zinc/61/11/46/591611146.db2.gz NQUJDTZEUWBYHL-JTQLQIEISA-N 1 2 243.314 1.930 20 0 BDADLO C[C@@H]1CN(C)C[C@H]1[NH2+]C1(c2ncccn2)CCC1 ZINC000883312469 591612360 /nfs/dbraw/zinc/61/23/60/591612360.db2.gz DMBRFCLHHWMLFD-VXGBXAGGSA-N 1 2 246.358 1.396 20 0 BDADLO Cc1cc(N[C@@H](C)CC(N)=O)c[nH+]c1C ZINC000883341243 591620521 /nfs/dbraw/zinc/62/05/21/591620521.db2.gz KYFCIOWMPPQJCU-QMMMGPOBSA-N 1 2 207.277 1.374 20 0 BDADLO CC1(C)SC(=O)N(C[NH+]2CCCCC2)C1=O ZINC000132113160 591688002 /nfs/dbraw/zinc/68/80/02/591688002.db2.gz KSXROIHISCPPRR-UHFFFAOYSA-N 1 2 242.344 1.904 20 0 BDADLO C=C/C=C/CCNC(=O)NCc1[nH+]ccn1CC ZINC000883674997 591716026 /nfs/dbraw/zinc/71/60/26/591716026.db2.gz YOOWPTVBPZWTOA-AATRIKPKSA-N 1 2 248.330 1.835 20 0 BDADLO CC(C)=CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800082514 591818672 /nfs/dbraw/zinc/81/86/72/591818672.db2.gz PVZVYXFOIRILRD-LLVKDONJSA-N 1 2 227.304 1.217 20 0 BDADLO CC(C)=CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800082514 591818674 /nfs/dbraw/zinc/81/86/74/591818674.db2.gz PVZVYXFOIRILRD-LLVKDONJSA-N 1 2 227.304 1.217 20 0 BDADLO CC/C=C(/C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800106022 591823819 /nfs/dbraw/zinc/82/38/19/591823819.db2.gz AACLYEKRKASVJS-DKRCXCIFSA-N 1 2 241.331 1.607 20 0 BDADLO CC/C=C(/C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800106022 591823822 /nfs/dbraw/zinc/82/38/22/591823822.db2.gz AACLYEKRKASVJS-DKRCXCIFSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCCF ZINC000884083306 591847720 /nfs/dbraw/zinc/84/77/20/591847720.db2.gz KDHGUVMZAVLVFH-JTQLQIEISA-N 1 2 242.298 1.273 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000134554948 591935753 /nfs/dbraw/zinc/93/57/53/591935753.db2.gz QHLOXIRGOANGGA-ONGXEEELSA-N 1 2 225.336 1.776 20 0 BDADLO CCc1nc(N(C)Cc2cnn(C)c2C)cc[nH+]1 ZINC000884491606 591955182 /nfs/dbraw/zinc/95/51/82/591955182.db2.gz ZEDQWURUUJXCRW-UHFFFAOYSA-N 1 2 245.330 1.717 20 0 BDADLO CCc1nc(N(CCO)[C@@H](C)CC)cc[nH+]1 ZINC000884508962 591961380 /nfs/dbraw/zinc/96/13/80/591961380.db2.gz SUYQBUJMHAZJIA-JTQLQIEISA-N 1 2 223.320 1.636 20 0 BDADLO CCc1nc(N[C@@H](CCOC)COC)cc[nH+]1 ZINC000884511461 591961399 /nfs/dbraw/zinc/96/13/99/591961399.db2.gz HNCTZDCODVNSDQ-JTQLQIEISA-N 1 2 239.319 1.502 20 0 BDADLO CCc1nc(N(C)CC(C)(C)CO)cc[nH+]1 ZINC000884519679 591964113 /nfs/dbraw/zinc/96/41/13/591964113.db2.gz ZSMVVLMHTSVSJZ-UHFFFAOYSA-N 1 2 223.320 1.494 20 0 BDADLO CCc1nc(NC[C@@H]2CC(C)=NO2)cc[nH+]1 ZINC000884521482 591964844 /nfs/dbraw/zinc/96/48/44/591964844.db2.gz YGBOMWQUOCQKAD-VIFPVBQESA-N 1 2 220.276 1.616 20 0 BDADLO CCc1nc(NCc2ccc(OC)nn2)cc[nH+]1 ZINC000884524278 591965704 /nfs/dbraw/zinc/96/57/04/591965704.db2.gz TZSRLBUZTULKJK-UHFFFAOYSA-N 1 2 245.286 1.450 20 0 BDADLO CCc1nc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc[nH+]1 ZINC000884531148 591968586 /nfs/dbraw/zinc/96/85/86/591968586.db2.gz FFNOJXXHWIMVDO-TUAOUCFPSA-N 1 2 247.342 1.636 20 0 BDADLO CCc1nc(N[C@H](CC)C(OC)OC)cc[nH+]1 ZINC000884550756 591976370 /nfs/dbraw/zinc/97/63/70/591976370.db2.gz KXIUWPOMOGKAIG-SECBINFHSA-N 1 2 239.319 1.848 20 0 BDADLO CCc1nc(N[C@H](C)c2nccc(N)n2)cc[nH+]1 ZINC000884552302 591976459 /nfs/dbraw/zinc/97/64/59/591976459.db2.gz XJMOIAXLJBVEBS-MRVPVSSYSA-N 1 2 244.302 1.584 20 0 BDADLO CCc1nc(N2CCC[C@@](O)(C3CC3)C2)cc[nH+]1 ZINC000884556471 591978527 /nfs/dbraw/zinc/97/85/27/591978527.db2.gz QZDSUEWJPQRSOE-AWEZNQCLSA-N 1 2 247.342 1.780 20 0 BDADLO CCc1nc(NCc2conc2C)cc[nH+]1 ZINC000884569552 591983116 /nfs/dbraw/zinc/98/31/16/591983116.db2.gz QJCSTTSCVSJSRF-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CCc1nc(N(C)[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000884569762 591983480 /nfs/dbraw/zinc/98/34/80/591983480.db2.gz XJPWAAFXFNMQQS-GHMZBOCLSA-N 1 2 235.331 1.779 20 0 BDADLO CCc1nc(N[C@H]2C[C@H](OC)C2)cc[nH+]1 ZINC000884567401 591983663 /nfs/dbraw/zinc/98/36/63/591983663.db2.gz JAWDPVRCLSERLV-KYZUINATSA-N 1 2 207.277 1.628 20 0 BDADLO CCc1nc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc[nH+]1 ZINC000884570637 591984099 /nfs/dbraw/zinc/98/40/99/591984099.db2.gz UJNUEZCIUGGRNS-YHMRHEDISA-N 1 2 245.326 1.874 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1Cl ZINC000884621496 591995970 /nfs/dbraw/zinc/99/59/70/591995970.db2.gz KGAGZKGTSKSLTQ-PSVAKVPMSA-N 1 2 242.706 1.340 20 0 BDADLO CCCNc1cc(NCC(C)(C)CO)nc[nH+]1 ZINC000135218692 591997756 /nfs/dbraw/zinc/99/77/56/591997756.db2.gz HLNBSLAPPOHOOL-UHFFFAOYSA-N 1 2 238.335 1.729 20 0 BDADLO CCCNc1cc(NCC(C)(C)CO)[nH+]cn1 ZINC000135218692 591997759 /nfs/dbraw/zinc/99/77/59/591997759.db2.gz HLNBSLAPPOHOOL-UHFFFAOYSA-N 1 2 238.335 1.729 20 0 BDADLO CCc1nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc[nH+]1 ZINC000884646101 592001880 /nfs/dbraw/zinc/00/18/80/592001880.db2.gz HNJMIQYMDXHUJZ-AXFHLTTASA-N 1 2 233.315 1.246 20 0 BDADLO OCC[C@H](Nc1cc[nH+]cc1F)C(F)(F)F ZINC000884832797 592024139 /nfs/dbraw/zinc/02/41/39/592024139.db2.gz AHKYGFQWCDOPCG-QMMMGPOBSA-N 1 2 238.184 1.368 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC(=O)[C@H]1C ZINC000885058687 592042225 /nfs/dbraw/zinc/04/22/25/592042225.db2.gz MKZVTUYAVHFDFQ-VHSXEESVSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC(=O)[C@H]1C ZINC000885058687 592042227 /nfs/dbraw/zinc/04/22/27/592042227.db2.gz MKZVTUYAVHFDFQ-VHSXEESVSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H](CC(=O)N1CC(=O)CC[C@H]1C)n1cc[nH+]c1 ZINC000885075003 592046534 /nfs/dbraw/zinc/04/65/34/592046534.db2.gz XMKGYGRRUQUNOL-MNOVXSKESA-N 1 2 249.314 1.414 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)CC[C@@H]1C ZINC000885076473 592046906 /nfs/dbraw/zinc/04/69/06/592046906.db2.gz UXJULEMXSLIGED-ZJUUUORDSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)CC[C@@H]1C ZINC000885076473 592046909 /nfs/dbraw/zinc/04/69/09/592046909.db2.gz UXJULEMXSLIGED-ZJUUUORDSA-N 1 2 249.314 1.168 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@](C)(O)C(F)F ZINC000885965792 592116939 /nfs/dbraw/zinc/11/69/39/592116939.db2.gz VLSXGFDDMWDKDW-VIFPVBQESA-N 1 2 236.287 1.591 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@](C)(O)C(F)F ZINC000885965792 592116940 /nfs/dbraw/zinc/11/69/40/592116940.db2.gz VLSXGFDDMWDKDW-VIFPVBQESA-N 1 2 236.287 1.591 20 0 BDADLO COCC[N@@H+]1CC[C@@H](NCc2cc(C)co2)C1 ZINC000885974993 592119060 /nfs/dbraw/zinc/11/90/60/592119060.db2.gz HTPYRRXKHFTIPK-GFCCVEGCSA-N 1 2 238.331 1.398 20 0 BDADLO COCC[N@H+]1CC[C@@H](NCc2cc(C)co2)C1 ZINC000885974993 592119062 /nfs/dbraw/zinc/11/90/62/592119062.db2.gz HTPYRRXKHFTIPK-GFCCVEGCSA-N 1 2 238.331 1.398 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000885993663 592123892 /nfs/dbraw/zinc/12/38/92/592123892.db2.gz SFTZPIWCAPTRKK-WDMOLILDSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000885993663 592123894 /nfs/dbraw/zinc/12/38/94/592123894.db2.gz SFTZPIWCAPTRKK-WDMOLILDSA-N 1 2 247.342 1.895 20 0 BDADLO O=S1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886005558 592128153 /nfs/dbraw/zinc/12/81/53/592128153.db2.gz DPUSJSMIDVLSHL-NEPJUHHUSA-N 1 2 243.372 1.008 20 0 BDADLO CC(C)[N@@H+](C/C=C/Cl)CCS(C)(=O)=O ZINC000137098737 592154135 /nfs/dbraw/zinc/15/41/35/592154135.db2.gz RNUKTSQFCURDCE-SNAWJCMRSA-N 1 2 239.768 1.494 20 0 BDADLO CC(C)[N@H+](C/C=C/Cl)CCS(C)(=O)=O ZINC000137098737 592154137 /nfs/dbraw/zinc/15/41/37/592154137.db2.gz RNUKTSQFCURDCE-SNAWJCMRSA-N 1 2 239.768 1.494 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080789 592144562 /nfs/dbraw/zinc/14/45/62/592144562.db2.gz FZJRLHOVHXJMJL-OCCSQVGLSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080789 592144563 /nfs/dbraw/zinc/14/45/63/592144563.db2.gz FZJRLHOVHXJMJL-OCCSQVGLSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080789 592144566 /nfs/dbraw/zinc/14/45/66/592144566.db2.gz FZJRLHOVHXJMJL-OCCSQVGLSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886080789 592144569 /nfs/dbraw/zinc/14/45/69/592144569.db2.gz FZJRLHOVHXJMJL-OCCSQVGLSA-N 1 2 247.342 1.725 20 0 BDADLO Cc1coc(C[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000886087273 592145116 /nfs/dbraw/zinc/14/51/16/592145116.db2.gz REUIYEIFQFETFX-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO FC1(F)CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886117011 592157133 /nfs/dbraw/zinc/15/71/33/592157133.db2.gz XKXLZWUYKWVVLB-UWVGGRQHSA-N 1 2 217.259 1.754 20 0 BDADLO FC1(F)CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886117011 592157132 /nfs/dbraw/zinc/15/71/32/592157132.db2.gz XKXLZWUYKWVVLB-UWVGGRQHSA-N 1 2 217.259 1.754 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886183764 592171797 /nfs/dbraw/zinc/17/17/97/592171797.db2.gz MTWJNCLNSABCMF-DLOVCJGASA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886183764 592171799 /nfs/dbraw/zinc/17/17/99/592171799.db2.gz MTWJNCLNSABCMF-DLOVCJGASA-N 1 2 241.331 1.437 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncco2)[nH]n1 ZINC000886273989 592193349 /nfs/dbraw/zinc/19/33/49/592193349.db2.gz KIECOUYCEMZTCN-QMMMGPOBSA-N 1 2 206.249 1.557 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ncco1 ZINC000886273556 592194139 /nfs/dbraw/zinc/19/41/39/592194139.db2.gz BURRAZJBBGSYRT-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO CCn1cc(Cl)c(NCc2c[nH+]cn2C)n1 ZINC000886368270 592220653 /nfs/dbraw/zinc/22/06/53/592220653.db2.gz KUIAUXLKBZVOJQ-UHFFFAOYSA-N 1 2 239.710 1.902 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ncco1 ZINC000886528438 592247486 /nfs/dbraw/zinc/24/74/86/592247486.db2.gz MBYDCSUZQFCRHH-DTWKUNHWSA-N 1 2 239.319 1.628 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ncco1 ZINC000886530998 592248007 /nfs/dbraw/zinc/24/80/07/592248007.db2.gz UYUGJRKTDLNAJB-IUCAKERBSA-N 1 2 222.244 1.652 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ncnn1C)c1cnn(C)c1 ZINC000886534738 592250415 /nfs/dbraw/zinc/25/04/15/592250415.db2.gz NQSKVOVROQTFCI-GFCCVEGCSA-N 1 2 248.334 1.036 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ncco1 ZINC000886538710 592252659 /nfs/dbraw/zinc/25/26/59/592252659.db2.gz MLRSLYHPEAAWQP-VHSXEESVSA-N 1 2 209.293 1.419 20 0 BDADLO CC(C)[C@H]([NH2+]CC(F)(F)CO)c1cnn(C)c1 ZINC000886591938 592271055 /nfs/dbraw/zinc/27/10/55/592271055.db2.gz GIFVEJZDHRCJBC-JTQLQIEISA-N 1 2 247.289 1.334 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C(C)(C)F)C2 ZINC000886616516 592276129 /nfs/dbraw/zinc/27/61/29/592276129.db2.gz IICJBQWTYORKBJ-UHFFFAOYSA-N 1 2 239.294 1.536 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)[C@H]1CC1(C)C)C2 ZINC000886618260 592277043 /nfs/dbraw/zinc/27/70/43/592277043.db2.gz TVBRQLYTJXXURA-SNVBAGLBSA-N 1 2 247.342 1.834 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1(C)CCC1)C2 ZINC000886619913 592278002 /nfs/dbraw/zinc/27/80/02/592278002.db2.gz VURIFZAUAAGFQF-UHFFFAOYSA-N 1 2 247.342 1.978 20 0 BDADLO CC[C@H](C)C(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886626218 592280571 /nfs/dbraw/zinc/28/05/71/592280571.db2.gz SZJKTQJEYKNUGJ-JTQLQIEISA-N 1 2 235.331 1.834 20 0 BDADLO O=C(c1cccnc1)N1CC[NH+](C2CC2)CC1 ZINC000074765968 592309559 /nfs/dbraw/zinc/30/95/59/592309559.db2.gz BGNWBVYTAKLQLP-UHFFFAOYSA-N 1 2 231.299 1.002 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)no1 ZINC000886836059 592357139 /nfs/dbraw/zinc/35/71/39/592357139.db2.gz VCOLZIJCEWLBOH-MNOVXSKESA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)no1 ZINC000886836059 592357145 /nfs/dbraw/zinc/35/71/45/592357145.db2.gz VCOLZIJCEWLBOH-MNOVXSKESA-N 1 2 237.303 1.379 20 0 BDADLO CC[NH2+][C@H](C[C@H]1CCCO1)C(=O)OCC ZINC000886961776 592402303 /nfs/dbraw/zinc/40/23/03/592402303.db2.gz XLEDOCDRXCYXEH-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CCCCCF ZINC000887077680 592435563 /nfs/dbraw/zinc/43/55/63/592435563.db2.gz RFQBNWYOKDQPRG-SNVBAGLBSA-N 1 2 249.351 1.717 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CCCCCF ZINC000887077680 592435566 /nfs/dbraw/zinc/43/55/66/592435566.db2.gz RFQBNWYOKDQPRG-SNVBAGLBSA-N 1 2 249.351 1.717 20 0 BDADLO CCOCCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074579 592435841 /nfs/dbraw/zinc/43/58/41/592435841.db2.gz ZUKYDVMBQPKFMO-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCOCCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074579 592435844 /nfs/dbraw/zinc/43/58/44/592435844.db2.gz ZUKYDVMBQPKFMO-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO COCCOCC[N@H+](CC(F)F)C1CCC1 ZINC000887100679 592442031 /nfs/dbraw/zinc/44/20/31/592442031.db2.gz LNGWKNVJLVKENS-UHFFFAOYSA-N 1 2 237.290 1.769 20 0 BDADLO COCCOCC[N@@H+](CC(F)F)C1CCC1 ZINC000887100679 592442033 /nfs/dbraw/zinc/44/20/33/592442033.db2.gz LNGWKNVJLVKENS-UHFFFAOYSA-N 1 2 237.290 1.769 20 0 BDADLO C[N@H+](CCCF)Cc1cn(CC2CC2)nn1 ZINC000887142698 592458890 /nfs/dbraw/zinc/45/88/90/592458890.db2.gz WWVYSVVMMRODNR-UHFFFAOYSA-N 1 2 226.299 1.480 20 0 BDADLO C[N@@H+](CCCF)Cc1cn(CC2CC2)nn1 ZINC000887142698 592458894 /nfs/dbraw/zinc/45/88/94/592458894.db2.gz WWVYSVVMMRODNR-UHFFFAOYSA-N 1 2 226.299 1.480 20 0 BDADLO CCc1cnc(NC(=O)Cn2cc[nH+]c2)o1 ZINC000887236926 592469325 /nfs/dbraw/zinc/46/93/25/592469325.db2.gz APGTURIZNLDSCS-UHFFFAOYSA-N 1 2 220.232 1.072 20 0 BDADLO C[C@@H](NC(=O)/C=C/c1cccnc1)c1[nH]cc[nH+]1 ZINC000140906811 592498549 /nfs/dbraw/zinc/49/85/49/592498549.db2.gz LTOOQUSMYPWFJC-ORAHPGNNSA-N 1 2 242.282 1.695 20 0 BDADLO CCn1cc(C[N@H+](C)[C@@H](C)c2ccccn2)nn1 ZINC000887555399 592525112 /nfs/dbraw/zinc/52/51/12/592525112.db2.gz IIVWIYCUCHDQBO-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)nn1 ZINC000887555399 592525114 /nfs/dbraw/zinc/52/51/14/592525114.db2.gz IIVWIYCUCHDQBO-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[C@@H]2C1 ZINC000888070797 592573921 /nfs/dbraw/zinc/57/39/21/592573921.db2.gz BQBNOUITSQLEBV-AOOOYVTPSA-N 1 2 242.282 1.818 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889589741 592623506 /nfs/dbraw/zinc/62/35/06/592623506.db2.gz FJYJAZVMRYBGBO-IJLUTSLNSA-N 1 2 233.315 1.578 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889608247 592628406 /nfs/dbraw/zinc/62/84/06/592628406.db2.gz FJOPEHSPVMTKQP-LPEHRKFASA-N 1 2 219.288 1.257 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccnn1C1CC1 ZINC000889686206 592643470 /nfs/dbraw/zinc/64/34/70/592643470.db2.gz PWAWQUWCXPHOSK-UHFFFAOYSA-N 1 2 231.259 1.053 20 0 BDADLO COCC(C)(C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890103979 592680387 /nfs/dbraw/zinc/68/03/87/592680387.db2.gz FYANYLUKSQSPQL-UHFFFAOYSA-N 1 2 239.319 1.099 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2(CCF)CC2)c1 ZINC000890106633 592681490 /nfs/dbraw/zinc/68/14/90/592681490.db2.gz CXOJVFHPGUNWGD-UHFFFAOYSA-N 1 2 225.267 1.176 20 0 BDADLO C/C=C(/CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890106763 592681530 /nfs/dbraw/zinc/68/15/30/592681530.db2.gz DJMSZIIINIBZHD-WTKPLQERSA-N 1 2 207.277 1.393 20 0 BDADLO CSCC(C)(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890106819 592681951 /nfs/dbraw/zinc/68/19/51/592681951.db2.gz FHMBJYCVIMBIMI-UHFFFAOYSA-N 1 2 241.360 1.426 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107020 592682134 /nfs/dbraw/zinc/68/21/34/592682134.db2.gz GLKJKURMFQCEOR-KOLCDFICSA-N 1 2 239.319 1.097 20 0 BDADLO CS[C@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890109271 592682743 /nfs/dbraw/zinc/68/27/43/592682743.db2.gz ITOZSPVQEGEFMW-MRVPVSSYSA-N 1 2 227.333 1.178 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCCCS2)c1 ZINC000890109155 592682852 /nfs/dbraw/zinc/68/28/52/592682852.db2.gz DVCHSYASSYGNLI-JTQLQIEISA-N 1 2 239.344 1.322 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109252 592683010 /nfs/dbraw/zinc/68/30/10/592683010.db2.gz HXKYQOBJPZXCGX-MDZDMXLPSA-N 1 2 221.304 1.783 20 0 BDADLO C[C@H]1CC/C(=C\C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110816 592684683 /nfs/dbraw/zinc/68/46/83/592684683.db2.gz WBDQQAKKPMWLSA-OTXQMUPVSA-N 1 2 233.315 1.783 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2ccco2)c1 ZINC000890116799 592685297 /nfs/dbraw/zinc/68/52/97/592685297.db2.gz ATXVENIATZIRBU-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO Cc1cc(C)cc(C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890120175 592686558 /nfs/dbraw/zinc/68/65/58/592686558.db2.gz VLANAIVJTQQIOY-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)o1 ZINC000890120240 592686680 /nfs/dbraw/zinc/68/66/80/592686680.db2.gz XLOYTFCXGHDKJW-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890120017 592686925 /nfs/dbraw/zinc/68/69/25/592686925.db2.gz SLFRUNMGDVRPRA-PRULPYPASA-N 1 2 247.342 1.719 20 0 BDADLO FC(F)c1noc(C[NH2+][C@H]2CCCOC2)n1 ZINC000895726685 636174785 /nfs/dbraw/zinc/17/47/85/636174785.db2.gz FJSFSUSYQQWHRP-LURJTMIESA-N 1 2 233.218 1.276 20 0 BDADLO O=C([O-])c1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000236485423 598202429 /nfs/dbraw/zinc/20/24/29/598202429.db2.gz JVIAFKHZLKKXTF-UHFFFAOYSA-N 1 2 245.282 1.371 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC001027710563 635120580 /nfs/dbraw/zinc/12/05/80/635120580.db2.gz WRMFQNUWYYSFJW-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC001027710563 635120584 /nfs/dbraw/zinc/12/05/84/635120584.db2.gz WRMFQNUWYYSFJW-LBPRGKRZSA-N 1 2 237.303 1.084 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nncs2)C1 ZINC000931475398 634501035 /nfs/dbraw/zinc/50/10/35/634501035.db2.gz TWRZEEDZWPROFZ-RKDXNWHRSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nncs2)C1 ZINC000931475398 634501041 /nfs/dbraw/zinc/50/10/41/634501041.db2.gz TWRZEEDZWPROFZ-RKDXNWHRSA-N 1 2 227.333 1.537 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@](C)(CC)OC)C(=O)OC ZINC000319036698 635489800 /nfs/dbraw/zinc/48/98/00/635489800.db2.gz KLYKFMYBSYGUNL-GVXVVHGQSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccnn2C)no1 ZINC000235200265 635568929 /nfs/dbraw/zinc/56/89/29/635568929.db2.gz YMJWPWCHXDCUBE-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO CC(C)OC[C@@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000337505596 635576870 /nfs/dbraw/zinc/57/68/70/635576870.db2.gz OMCBLPBKCRZZIR-SECBINFHSA-N 1 2 242.323 1.039 20 0 BDADLO CO[C@H](C)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324799 631251369 /nfs/dbraw/zinc/25/13/69/631251369.db2.gz FGUTUKYTXDOQFF-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933324799 631251379 /nfs/dbraw/zinc/25/13/79/631251379.db2.gz FGUTUKYTXDOQFF-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO COC[C@H]1COCC[N@@H+]1Cc1cccnc1C ZINC000933326719 631259251 /nfs/dbraw/zinc/25/92/51/631259251.db2.gz GBGCMPJVAGBQIB-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1COCC[N@H+]1Cc1cccnc1C ZINC000933326719 631259257 /nfs/dbraw/zinc/25/92/57/631259257.db2.gz GBGCMPJVAGBQIB-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@H]1COCC[N@@H+]1CCc1cncs1 ZINC000933330862 631264441 /nfs/dbraw/zinc/26/44/41/631264441.db2.gz KATZTPRFRYIFDG-JTQLQIEISA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@H]1COCC[N@H+]1CCc1cncs1 ZINC000933330862 631264444 /nfs/dbraw/zinc/26/44/44/631264444.db2.gz KATZTPRFRYIFDG-JTQLQIEISA-N 1 2 242.344 1.033 20 0 BDADLO Nc1ccc(CNC(=O)CCC(F)(F)F)c[nH+]1 ZINC000308385084 631307730 /nfs/dbraw/zinc/30/77/30/631307730.db2.gz GHWWYBXXRSQHKC-UHFFFAOYSA-N 1 2 247.220 1.623 20 0 BDADLO CC1(C(=O)NCc2ccc(N)[nH+]c2)CCCC1 ZINC000308390081 631309752 /nfs/dbraw/zinc/30/97/52/631309752.db2.gz IVDNDECFHOVOKG-UHFFFAOYSA-N 1 2 233.315 1.860 20 0 BDADLO COC1(CC(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000308380779 631313479 /nfs/dbraw/zinc/31/34/79/631313479.db2.gz UKQBWYCIHQTMTA-UHFFFAOYSA-N 1 2 249.314 1.239 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@H](O)C2)c1F ZINC000891451244 631353021 /nfs/dbraw/zinc/35/30/21/631353021.db2.gz PITNTMKYBNOWCG-JTQLQIEISA-N 1 2 240.278 1.186 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@H](O)C2)c1F ZINC000891451244 631353024 /nfs/dbraw/zinc/35/30/24/631353024.db2.gz PITNTMKYBNOWCG-JTQLQIEISA-N 1 2 240.278 1.186 20 0 BDADLO C[C@H]([NH2+]CCCF)C(=O)OC(C)(C)C ZINC000308567240 631432019 /nfs/dbraw/zinc/43/20/19/631432019.db2.gz YZXZGWCLXMYGFL-QMMMGPOBSA-N 1 2 205.273 1.666 20 0 BDADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]1CO ZINC000934014076 631595171 /nfs/dbraw/zinc/59/51/71/631595171.db2.gz KIYKHSNPAQPVAI-VHSXEESVSA-N 1 2 229.320 1.173 20 0 BDADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]1CO ZINC000934014076 631595174 /nfs/dbraw/zinc/59/51/74/631595174.db2.gz KIYKHSNPAQPVAI-VHSXEESVSA-N 1 2 229.320 1.173 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000934026766 631605489 /nfs/dbraw/zinc/60/54/89/631605489.db2.gz HKNNZHDJELUUEZ-VIFPVBQESA-N 1 2 218.256 1.394 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC000934026766 631605493 /nfs/dbraw/zinc/60/54/93/631605493.db2.gz HKNNZHDJELUUEZ-VIFPVBQESA-N 1 2 218.256 1.394 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934027008 631607397 /nfs/dbraw/zinc/60/73/97/631607397.db2.gz IOYYODUXEGYWBN-LBPRGKRZSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934027008 631607403 /nfs/dbraw/zinc/60/74/03/631607403.db2.gz IOYYODUXEGYWBN-LBPRGKRZSA-N 1 2 244.294 1.908 20 0 BDADLO OC[C@@H]1CC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934028220 631627106 /nfs/dbraw/zinc/62/71/06/631627106.db2.gz YDKUVDRDMXRYMK-KWQFWETISA-N 1 2 243.253 1.065 20 0 BDADLO OC[C@@H]1CC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934028220 631627109 /nfs/dbraw/zinc/62/71/09/631627109.db2.gz YDKUVDRDMXRYMK-KWQFWETISA-N 1 2 243.253 1.065 20 0 BDADLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CO ZINC000934031650 631631733 /nfs/dbraw/zinc/63/17/33/631631733.db2.gz QYJCCELINLJLDG-NWDGAFQWSA-N 1 2 248.326 1.389 20 0 BDADLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]1CO ZINC000934031650 631631734 /nfs/dbraw/zinc/63/17/34/631631734.db2.gz QYJCCELINLJLDG-NWDGAFQWSA-N 1 2 248.326 1.389 20 0 BDADLO Cc1csc(C[NH2+][C@H](C)C(=O)NCCF)n1 ZINC000282827326 635672402 /nfs/dbraw/zinc/67/24/02/635672402.db2.gz YZHIYFUPBKOICM-MRVPVSSYSA-N 1 2 245.323 1.015 20 0 BDADLO C/C=C(/C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000308871328 631700016 /nfs/dbraw/zinc/70/00/16/631700016.db2.gz ZANGAIXGCZEMAM-BAQGIRSFSA-N 1 2 206.245 1.673 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cnc[nH]1)C(F)(F)F ZINC000308966359 631771911 /nfs/dbraw/zinc/77/19/11/631771911.db2.gz VZLWUHPCEHVDGB-ZETCQYMHSA-N 1 2 223.198 1.077 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+][C@@H]1CCOC1)CCC2 ZINC000308996225 631779432 /nfs/dbraw/zinc/77/94/32/631779432.db2.gz MROGHAXSQPWMCH-PSASIEDQSA-N 1 2 207.277 1.166 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CO)cs1 ZINC000309052384 631828095 /nfs/dbraw/zinc/82/80/95/631828095.db2.gz QLZLVIOUGKSPIR-LLVKDONJSA-N 1 2 227.329 1.250 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2CO)cs1 ZINC000309052384 631828099 /nfs/dbraw/zinc/82/80/99/631828099.db2.gz QLZLVIOUGKSPIR-LLVKDONJSA-N 1 2 227.329 1.250 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2cccc(F)c2)C[C@@H]1F ZINC000934562181 631924196 /nfs/dbraw/zinc/92/41/96/631924196.db2.gz YTWAYSAXKDBGST-QWHCGFSZSA-N 1 2 241.281 1.773 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@@H]1F ZINC000934562181 631924202 /nfs/dbraw/zinc/92/42/02/631924202.db2.gz YTWAYSAXKDBGST-QWHCGFSZSA-N 1 2 241.281 1.773 20 0 BDADLO Cc1cc(NC(=O)c2cnsn2)cc[nH+]1 ZINC000082269750 631929723 /nfs/dbraw/zinc/92/97/23/631929723.db2.gz MHHJEVREEKJRQK-UHFFFAOYSA-N 1 2 220.257 1.494 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)n1 ZINC000934572008 631945310 /nfs/dbraw/zinc/94/53/10/631945310.db2.gz HYXGNSOVPFOPJW-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(C)n1 ZINC000934572008 631945315 /nfs/dbraw/zinc/94/53/15/631945315.db2.gz HYXGNSOVPFOPJW-QWHCGFSZSA-N 1 2 238.306 1.603 20 0 BDADLO O[C@H]1CC[N@H+](CCc2cscn2)C[C@@H]1F ZINC000934574470 631947656 /nfs/dbraw/zinc/94/76/56/631947656.db2.gz SUQQTFQFNRFJPI-UWVGGRQHSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2cscn2)C[C@@H]1F ZINC000934574470 631947664 /nfs/dbraw/zinc/94/76/64/631947664.db2.gz SUQQTFQFNRFJPI-UWVGGRQHSA-N 1 2 230.308 1.090 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)SC)n1 ZINC000308856996 631960520 /nfs/dbraw/zinc/96/05/20/631960520.db2.gz RQMNIKZWYBOQKL-SSDOTTSWSA-N 1 2 215.322 1.473 20 0 BDADLO CC[C@@H](OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000309314182 631991659 /nfs/dbraw/zinc/99/16/59/631991659.db2.gz YEMNWSRJMFOIFL-SECBINFHSA-N 1 2 224.260 1.132 20 0 BDADLO C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CCN1C ZINC000161538987 632075856 /nfs/dbraw/zinc/07/58/56/632075856.db2.gz IXXLXMONQWLHOY-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO C[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CCN1C ZINC000161538987 632075859 /nfs/dbraw/zinc/07/58/59/632075859.db2.gz IXXLXMONQWLHOY-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO Cc1nn(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000161564007 632086190 /nfs/dbraw/zinc/08/61/90/632086190.db2.gz PEQCOQINUSLWOA-UHFFFAOYSA-N 1 2 224.264 1.543 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CC[C@@H](C)O ZINC000934820469 632091026 /nfs/dbraw/zinc/09/10/26/632091026.db2.gz QHESKZIGAQUWQJ-SECBINFHSA-N 1 2 217.309 1.077 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H](C)C2)nc(N)[nH+]1 ZINC000308903188 632118238 /nfs/dbraw/zinc/11/82/38/632118238.db2.gz UTNBOXWFXPEYLW-POYBYMJQSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000308903188 632118242 /nfs/dbraw/zinc/11/82/42/632118242.db2.gz UTNBOXWFXPEYLW-POYBYMJQSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N[C@H]2CC[C@@H](C)C2)nc(N)[nH+]1 ZINC000308903189 632118809 /nfs/dbraw/zinc/11/88/09/632118809.db2.gz UTNBOXWFXPEYLW-SVRRBLITSA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000308903189 632118812 /nfs/dbraw/zinc/11/88/12/632118812.db2.gz UTNBOXWFXPEYLW-SVRRBLITSA-N 1 2 207.281 1.363 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000126276138 632119056 /nfs/dbraw/zinc/11/90/56/632119056.db2.gz BNPWFUWFOPPLRY-DLOVCJGASA-N 1 2 243.347 1.589 20 0 BDADLO COC[C@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000088001094 635798447 /nfs/dbraw/zinc/79/84/47/635798447.db2.gz ITBBCGHWEQCVBT-VIFPVBQESA-N 1 2 225.292 1.764 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000161878523 632440782 /nfs/dbraw/zinc/44/07/82/632440782.db2.gz JMRPLIPNQHVRPF-LLVKDONJSA-N 1 2 231.336 1.326 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000309682216 632650691 /nfs/dbraw/zinc/65/06/91/632650691.db2.gz NMOJUULBPBURRS-GFCCVEGCSA-N 1 2 231.336 1.182 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]CC1(OC)CCCC1 ZINC000309972908 632688639 /nfs/dbraw/zinc/68/86/39/632688639.db2.gz QMHGVRHRQCHUAM-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1)c1cnn(C)n1 ZINC000924534341 632762216 /nfs/dbraw/zinc/76/22/16/632762216.db2.gz QFXBMBZRXQPPIE-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO CCC(=CC(=O)NCCc1[nH]cc[nH+]1)CC ZINC000177750910 632872246 /nfs/dbraw/zinc/87/22/46/632872246.db2.gz YJUJZPRDWVXNOS-UHFFFAOYSA-N 1 2 221.304 1.815 20 0 BDADLO CC(C)(C)OCCC[NH2+][C@]1(C)CCOC1=O ZINC000309324959 632939436 /nfs/dbraw/zinc/93/94/36/632939436.db2.gz GHBHGPZCEJMCNP-GFCCVEGCSA-N 1 2 229.320 1.487 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000161878414 633014532 /nfs/dbraw/zinc/01/45/32/633014532.db2.gz JMRPLIPNQHVRPF-NSHDSACASA-N 1 2 231.336 1.326 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894381694 635872961 /nfs/dbraw/zinc/87/29/61/635872961.db2.gz ITXHHAGZKYTASP-NXEZZACHSA-N 1 2 238.335 1.727 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894381694 635872965 /nfs/dbraw/zinc/87/29/65/635872965.db2.gz ITXHHAGZKYTASP-NXEZZACHSA-N 1 2 238.335 1.727 20 0 BDADLO COC(C)(C)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892901757 633240839 /nfs/dbraw/zinc/24/08/39/633240839.db2.gz CROVJZMKPGPHGM-UHFFFAOYSA-N 1 2 238.335 1.404 20 0 BDADLO COC(C)(C)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892901757 633240841 /nfs/dbraw/zinc/24/08/41/633240841.db2.gz CROVJZMKPGPHGM-UHFFFAOYSA-N 1 2 238.335 1.404 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCOC1 ZINC000070464217 636028166 /nfs/dbraw/zinc/02/81/66/636028166.db2.gz MSRYPDXVIWKBRZ-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889605855 636055243 /nfs/dbraw/zinc/05/52/43/636055243.db2.gz LDKWJIWMQRHADU-CKYFFXLPSA-N 1 2 233.315 1.565 20 0 BDADLO CC(C)OCCNc1cc(N(C)C)nc[nH+]1 ZINC000893160706 633855979 /nfs/dbraw/zinc/85/59/79/633855979.db2.gz QZWSOMAQEOBCIT-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO CC(C)OCCNc1cc(N(C)C)[nH+]cn1 ZINC000893160706 633855982 /nfs/dbraw/zinc/85/59/82/633855982.db2.gz QZWSOMAQEOBCIT-UHFFFAOYSA-N 1 2 224.308 1.380 20 0 BDADLO C/C=C\C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000309355658 633901712 /nfs/dbraw/zinc/90/17/12/633901712.db2.gz HVTHIIXLMKMDRI-IHWYPQMZSA-N 1 2 219.288 1.623 20 0 BDADLO CC[NH2+]Cc1noc(CCOC(C)C)n1 ZINC000309646844 633980438 /nfs/dbraw/zinc/98/04/38/633980438.db2.gz QUOZZTQYLXREAK-UHFFFAOYSA-N 1 2 213.281 1.147 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000309689432 633989104 /nfs/dbraw/zinc/98/91/04/633989104.db2.gz PEYBUENMKAOKOV-GHMZBOCLSA-N 1 2 229.320 1.200 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000309689436 633989730 /nfs/dbraw/zinc/98/97/30/633989730.db2.gz PEYBUENMKAOKOV-WDEREUQCSA-N 1 2 229.320 1.200 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC2CC2)c[nH+]1 ZINC000895477127 636149643 /nfs/dbraw/zinc/14/96/43/636149643.db2.gz WXOVFCRBJNFKFM-UHFFFAOYSA-N 1 2 207.277 1.205 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]c1)c1nnnn1C1CC1 ZINC000191828845 634223138 /nfs/dbraw/zinc/22/31/38/634223138.db2.gz IPKYKKUTXMEGCE-MRVPVSSYSA-N 1 2 232.291 1.187 20 0 BDADLO Cc1nccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000956944791 634312214 /nfs/dbraw/zinc/31/22/14/634312214.db2.gz SUBRHGOZPSMYAR-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1nccc(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000956944791 634312216 /nfs/dbraw/zinc/31/22/16/634312216.db2.gz SUBRHGOZPSMYAR-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1ncccn1 ZINC001027711934 635124563 /nfs/dbraw/zinc/12/45/63/635124563.db2.gz VVPLDUKAZJDVKB-PWSUYJOCSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1ncccn1 ZINC001027711934 635124568 /nfs/dbraw/zinc/12/45/68/635124568.db2.gz VVPLDUKAZJDVKB-PWSUYJOCSA-N 1 2 248.330 1.138 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000162886196 635149321 /nfs/dbraw/zinc/14/93/21/635149321.db2.gz CKKHRMYGBUCGJY-MNOVXSKESA-N 1 2 229.320 1.200 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980655590 635248659 /nfs/dbraw/zinc/24/86/59/635248659.db2.gz CKRWVXDRUPCSCV-QWRGUYRKSA-N 1 2 228.311 1.146 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980655590 635248668 /nfs/dbraw/zinc/24/86/68/635248668.db2.gz CKRWVXDRUPCSCV-QWRGUYRKSA-N 1 2 228.311 1.146 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000924034558 635585389 /nfs/dbraw/zinc/58/53/89/635585389.db2.gz KXZYATIXFLPBBU-VGDYDELISA-N 1 2 247.342 1.669 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)C(=O)OC(C)(C)C ZINC000251533533 635704058 /nfs/dbraw/zinc/70/40/58/635704058.db2.gz GIIXIAYEYKYUOH-GARJFASQSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000924971082 635818266 /nfs/dbraw/zinc/81/82/66/635818266.db2.gz AFLKPQOTZADZCF-VIFPVBQESA-N 1 2 247.298 1.721 20 0 BDADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)no1 ZINC001029180626 636003581 /nfs/dbraw/zinc/00/35/81/636003581.db2.gz VVDYTJUPCSBQLN-TXEJJXNPSA-N 1 2 249.314 1.178 20 0 BDADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)no1 ZINC001029180626 636003584 /nfs/dbraw/zinc/00/35/84/636003584.db2.gz VVDYTJUPCSBQLN-TXEJJXNPSA-N 1 2 249.314 1.178 20 0 BDADLO NC(=O)[C@]12CCC[C@H]1CN(c1cc[nH+]cc1F)C2 ZINC000896914518 636256279 /nfs/dbraw/zinc/25/62/79/636256279.db2.gz BAXXYGFAGKHRMD-ZANVPECISA-N 1 2 249.289 1.313 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889612673 636538857 /nfs/dbraw/zinc/53/88/57/636538857.db2.gz QKGIYWDOJVRUAE-QJPTWQEYSA-N 1 2 245.326 1.798 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCc2ccccc2C1 ZINC000074673248 636652971 /nfs/dbraw/zinc/65/29/71/636652971.db2.gz QAINDVOXCOBFPN-UHFFFAOYSA-N 1 2 241.294 1.537 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)c(C)nn1 ZINC000929109232 636805697 /nfs/dbraw/zinc/80/56/97/636805697.db2.gz KRMSUMZARZMUQB-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)c(C)nn1 ZINC000929109232 636805701 /nfs/dbraw/zinc/80/57/01/636805701.db2.gz KRMSUMZARZMUQB-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cn1ncc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865376370 636812365 /nfs/dbraw/zinc/81/23/65/636812365.db2.gz KXBRHIJPGNDVJB-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)C(=O)c1ccc(O)cc1 ZINC000929126220 636814205 /nfs/dbraw/zinc/81/42/05/636814205.db2.gz TYOUETHUMPKXMF-LLVKDONJSA-N 1 2 249.310 1.543 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923889609 636998374 /nfs/dbraw/zinc/99/83/74/636998374.db2.gz UJXZKNZFBQQEDY-GHMZBOCLSA-N 1 2 241.331 1.770 20 0 BDADLO CCC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923889609 636998380 /nfs/dbraw/zinc/99/83/80/636998380.db2.gz UJXZKNZFBQQEDY-GHMZBOCLSA-N 1 2 241.331 1.770 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923893795 637015590 /nfs/dbraw/zinc/01/55/90/637015590.db2.gz OOGXFMQLDOFDFB-GHMZBOCLSA-N 1 2 227.304 1.380 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923893795 637015593 /nfs/dbraw/zinc/01/55/93/637015593.db2.gz OOGXFMQLDOFDFB-GHMZBOCLSA-N 1 2 227.304 1.380 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(C3CC3)no2)O1 ZINC000923802153 637020466 /nfs/dbraw/zinc/02/04/66/637020466.db2.gz VHMWYTMOTGSLHV-CBAPKCEASA-N 1 2 223.276 1.339 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(C3CC3)no2)O1 ZINC000923802153 637020470 /nfs/dbraw/zinc/02/04/70/637020470.db2.gz VHMWYTMOTGSLHV-CBAPKCEASA-N 1 2 223.276 1.339 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000901011025 637223021 /nfs/dbraw/zinc/22/30/21/637223021.db2.gz WMEJFPSRFNZBKD-LBPRGKRZSA-N 1 2 247.342 1.998 20 0 BDADLO CC(=O)c1ccn(Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000902308293 637290747 /nfs/dbraw/zinc/29/07/47/637290747.db2.gz CGDIICIATBDYCO-UHFFFAOYSA-N 1 2 244.298 1.595 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(COC2CC2)n1 ZINC000904263987 637394994 /nfs/dbraw/zinc/39/49/94/637394994.db2.gz BMXATAHUHQBGKI-UHFFFAOYSA-N 1 2 246.270 1.701 20 0 BDADLO CC[NH2+]Cc1noc(CCc2cc(C)on2)n1 ZINC000904494372 637423219 /nfs/dbraw/zinc/42/32/19/637423219.db2.gz KGTMFQPQLQKXHS-UHFFFAOYSA-N 1 2 236.275 1.261 20 0 BDADLO CC[C@](O)(C[NH2+]Cc1cocn1)C(F)(F)F ZINC000905101585 637611769 /nfs/dbraw/zinc/61/17/69/637611769.db2.gz LXZQGUAUTJHJGP-QMMMGPOBSA-N 1 2 238.209 1.468 20 0 BDADLO Cn1c[nH+]cc1CNc1nnc(C2CCC2)o1 ZINC000905425669 637811495 /nfs/dbraw/zinc/81/14/95/637811495.db2.gz CDTGUIJKWNYHBW-UHFFFAOYSA-N 1 2 233.275 1.683 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1C=CCC1)C(=O)OC ZINC000905780903 637910115 /nfs/dbraw/zinc/91/01/15/637910115.db2.gz UASGHWCEEXQFNX-AXFHLTTASA-N 1 2 211.305 1.882 20 0 BDADLO CCOC(C)(C)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000905765492 637921310 /nfs/dbraw/zinc/92/13/10/637921310.db2.gz OUZLWICFXJUCOO-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CC1=CCOCC1)C(=O)OC ZINC000905769638 637924544 /nfs/dbraw/zinc/92/45/44/637924544.db2.gz IJVUSNXYUODDDT-JQWIXIFHSA-N 1 2 241.331 1.510 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOC2CC2)n1 ZINC000905845696 637960938 /nfs/dbraw/zinc/96/09/38/637960938.db2.gz IJYJUWMCOXOXQM-ZETCQYMHSA-N 1 2 211.265 1.208 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOC2CC2)o1 ZINC000905846116 637962467 /nfs/dbraw/zinc/96/24/67/637962467.db2.gz LYRUKHPOQWLEPU-SSDOTTSWSA-N 1 2 211.265 1.208 20 0 BDADLO CC[C@@](O)(C[N@@H+]1CCO[C@@H](C)C1)C(F)(F)F ZINC000905893829 637968898 /nfs/dbraw/zinc/96/88/98/637968898.db2.gz BOBIXVXFPPHNCL-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@](O)(C[N@H+]1CCO[C@@H](C)C1)C(F)(F)F ZINC000905893829 637968902 /nfs/dbraw/zinc/96/89/02/637968902.db2.gz BOBIXVXFPPHNCL-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CCOC1C[NH+](C[C@H](O)c2cccc(C)c2)C1 ZINC000905959330 638006897 /nfs/dbraw/zinc/00/68/97/638006897.db2.gz SDUFCHRVUVLAMZ-AWEZNQCLSA-N 1 2 235.327 1.749 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)c2cccc(C)c2)C1 ZINC000905959333 638007470 /nfs/dbraw/zinc/00/74/70/638007470.db2.gz SDUFCHRVUVLAMZ-CQSZACIVSA-N 1 2 235.327 1.749 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H](C)CO)c(C)[nH+]1 ZINC000906049738 638036843 /nfs/dbraw/zinc/03/68/43/638036843.db2.gz BJBHXCOTOLBSOK-VIFPVBQESA-N 1 2 222.288 1.117 20 0 BDADLO c1ncc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC000906163249 638100980 /nfs/dbraw/zinc/10/09/80/638100980.db2.gz COOMCLAWMADJQY-UHFFFAOYSA-N 1 2 212.256 1.539 20 0 BDADLO CC1(F)CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906318136 638136056 /nfs/dbraw/zinc/13/60/56/638136056.db2.gz JAJKFNSCSSFCIR-UHFFFAOYSA-N 1 2 238.310 1.937 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)[C@H]2CCOC2)c(C)[nH+]1 ZINC000906605705 638225020 /nfs/dbraw/zinc/22/50/20/638225020.db2.gz KASJKRSCBLNHTF-LBPRGKRZSA-N 1 2 248.326 1.868 20 0 BDADLO Cc1cc(C)c(C(=O)NCC2(C)COC2)c(C)[nH+]1 ZINC000906667183 638230172 /nfs/dbraw/zinc/23/01/72/638230172.db2.gz USGFDOOSOFWSSZ-UHFFFAOYSA-N 1 2 248.326 1.773 20 0 BDADLO CCO[C@H]1[C@H](C(=O)Nc2cc[nH+]c(C)c2)[C@@H]1C ZINC000906659899 638233917 /nfs/dbraw/zinc/23/39/17/638233917.db2.gz GPBDMRQGFICWOX-MVWJERBFSA-N 1 2 234.299 1.421 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCCCC2 ZINC000907256021 638334083 /nfs/dbraw/zinc/33/40/83/638334083.db2.gz ZHSGKHKBFDIPRI-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(C2CC2)CCC1 ZINC000907308135 638338219 /nfs/dbraw/zinc/33/82/19/638338219.db2.gz OYSSINOLZVRFFN-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO C[C@@H]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000907297227 638345172 /nfs/dbraw/zinc/34/51/72/638345172.db2.gz YHMMSTDBRPTVHI-BXUZGUMPSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCO[C@H]1C1CC1 ZINC000907351271 638357985 /nfs/dbraw/zinc/35/79/85/638357985.db2.gz OGJIVTGFNSNYMS-QWHCGFSZSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000907360675 638362061 /nfs/dbraw/zinc/36/20/61/638362061.db2.gz DUVTUECLWUMYSU-GMTAPVOTSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907422787 638378030 /nfs/dbraw/zinc/37/80/30/638378030.db2.gz SMEFFMPUBTYOAA-LURJTMIESA-N 1 2 235.209 1.409 20 0 BDADLO CC(C)C(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907609912 638410151 /nfs/dbraw/zinc/41/01/51/638410151.db2.gz DRJVCVXYBOLOIQ-UHFFFAOYSA-N 1 2 223.320 1.751 20 0 BDADLO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907676361 638442024 /nfs/dbraw/zinc/44/20/24/638442024.db2.gz LPXWSXGXZXKXDB-OUAUKWLOSA-N 1 2 235.331 1.845 20 0 BDADLO CCn1ccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000907687295 638446828 /nfs/dbraw/zinc/44/68/28/638446828.db2.gz CBWHNLITGCKIEL-UHFFFAOYSA-N 1 2 246.314 1.432 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927478654 638453427 /nfs/dbraw/zinc/45/34/27/638453427.db2.gz CGECPVWGZIWNSG-QJPTWQEYSA-N 1 2 233.315 1.436 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CC12CCCC2 ZINC000907737624 638461138 /nfs/dbraw/zinc/46/11/38/638461138.db2.gz FRBDEKAYPQZCMY-LLVKDONJSA-N 1 2 245.326 1.942 20 0 BDADLO Cc1cc(C)c(C(=O)NCCCCO)c(C)[nH+]1 ZINC000907803347 638469824 /nfs/dbraw/zinc/46/98/24/638469824.db2.gz MXQHTQLZWWPIMA-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO CSC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000907831240 638480843 /nfs/dbraw/zinc/48/08/43/638480843.db2.gz FTASIKYAPXHIRN-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO CC[C@H](O)[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907905663 638508836 /nfs/dbraw/zinc/50/88/36/638508836.db2.gz UVAGLGLNAFRWGA-ONGXEEELSA-N 1 2 247.298 1.680 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC2(CCC2)CC1 ZINC000908161225 638581816 /nfs/dbraw/zinc/58/18/16/638581816.db2.gz RDZSCZPFKRVPCJ-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO C/C(Cl)=C\C(=O)NCc1c[nH+]cn1C ZINC000908259887 638626245 /nfs/dbraw/zinc/62/62/45/638626245.db2.gz JUMCEEWOCZQUFP-XVNBXDOJSA-N 1 2 213.668 1.179 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000908286009 638631962 /nfs/dbraw/zinc/63/19/62/638631962.db2.gz YLOGTISIGDCEKK-ZDUSSCGKSA-N 1 2 245.326 1.743 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC(C2CC2)C1 ZINC000908319027 638641696 /nfs/dbraw/zinc/64/16/96/638641696.db2.gz RKAXZEWVDPQKRA-UHFFFAOYSA-N 1 2 231.299 1.362 20 0 BDADLO CC(C)C1(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000908426900 638706647 /nfs/dbraw/zinc/70/66/47/638706647.db2.gz JGOIJVLRKSFDNQ-UHFFFAOYSA-N 1 2 233.315 1.798 20 0 BDADLO CCc1nocc1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908433986 638710770 /nfs/dbraw/zinc/71/07/70/638710770.db2.gz AXKKTBBHJDWNSE-UHFFFAOYSA-N 1 2 248.286 1.161 20 0 BDADLO CC[C@@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908557752 639014755 /nfs/dbraw/zinc/01/47/55/639014755.db2.gz JTYRXHDHSZQIER-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C/C(=C(/F)C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000908761843 639062988 /nfs/dbraw/zinc/06/29/88/639062988.db2.gz YLLONHFJJNEKSN-BKLZJWBFSA-N 1 2 249.289 1.578 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C2CCC2)CCC1 ZINC000909919691 639261254 /nfs/dbraw/zinc/26/12/54/639261254.db2.gz ZMJRHWZMQJJFFH-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)C=CCC1 ZINC000930221762 639640407 /nfs/dbraw/zinc/64/04/07/639640407.db2.gz LVOXHSXJTDSVBN-LBPRGKRZSA-N 1 2 219.288 1.356 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)s1 ZINC000930363957 639725683 /nfs/dbraw/zinc/72/56/83/639725683.db2.gz CKDAZVZOYTZAGT-ZJUUUORDSA-N 1 2 239.344 1.682 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)s1 ZINC000930363957 639725689 /nfs/dbraw/zinc/72/56/89/639725689.db2.gz CKDAZVZOYTZAGT-ZJUUUORDSA-N 1 2 239.344 1.682 20 0 BDADLO C[C@@H](C1CC1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498300 639786427 /nfs/dbraw/zinc/78/64/27/639786427.db2.gz GMSUEBVKEQEJSO-WPRPVWTQSA-N 1 2 236.319 1.488 20 0 BDADLO C[C@@H](C1CC1)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498300 639786434 /nfs/dbraw/zinc/78/64/34/639786434.db2.gz GMSUEBVKEQEJSO-WPRPVWTQSA-N 1 2 236.319 1.488 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)s1 ZINC000930517370 639794452 /nfs/dbraw/zinc/79/44/52/639794452.db2.gz WFLLCRYSAVCJHT-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H](c3ccncc3)C2)s1 ZINC000930517370 639794461 /nfs/dbraw/zinc/79/44/61/639794461.db2.gz WFLLCRYSAVCJHT-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO C[N@H+](Cc1cnc(C2CC2)o1)C(C)(C)C(N)=O ZINC000930597774 639816309 /nfs/dbraw/zinc/81/63/09/639816309.db2.gz ZVAVAQNUHDNDPP-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO C[N@@H+](Cc1cnc(C2CC2)o1)C(C)(C)C(N)=O ZINC000930597774 639816310 /nfs/dbraw/zinc/81/63/10/639816310.db2.gz ZVAVAQNUHDNDPP-UHFFFAOYSA-N 1 2 237.303 1.248 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000930603473 639817491 /nfs/dbraw/zinc/81/74/91/639817491.db2.gz MQXYGTWKGKQOMK-GUBZILKMSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000930603473 639817492 /nfs/dbraw/zinc/81/74/92/639817492.db2.gz MQXYGTWKGKQOMK-GUBZILKMSA-N 1 2 217.284 1.618 20 0 BDADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930622811 639826930 /nfs/dbraw/zinc/82/69/30/639826930.db2.gz KZLOCNGQPAERFU-GZMMTYOYSA-N 1 2 243.257 1.240 20 0 BDADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930622811 639826933 /nfs/dbraw/zinc/82/69/33/639826933.db2.gz KZLOCNGQPAERFU-GZMMTYOYSA-N 1 2 243.257 1.240 20 0 BDADLO CO[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000911890066 639869716 /nfs/dbraw/zinc/86/97/16/639869716.db2.gz UHBGBTJADMPZMB-GHMZBOCLSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(CC2(F)F)C1 ZINC000911920625 639879795 /nfs/dbraw/zinc/87/97/95/639879795.db2.gz IKDFWWJMSUAKSI-SNVBAGLBSA-N 1 2 241.241 1.210 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C(=O)OC)[C@H](C)CC)OC ZINC000385978373 711478627 /nfs/dbraw/zinc/47/86/27/711478627.db2.gz CLEARIATZNTEHI-IJLUTSLNSA-N 1 2 245.363 1.979 20 0 BDADLO COc1nnc(C[N@H+](C)C(C)(C)C)s1 ZINC000930824077 639924488 /nfs/dbraw/zinc/92/44/88/639924488.db2.gz ANTDBHFDLCGSFM-UHFFFAOYSA-N 1 2 215.322 1.777 20 0 BDADLO COc1nnc(C[N@@H+](C)C(C)(C)C)s1 ZINC000930824077 639924493 /nfs/dbraw/zinc/92/44/93/639924493.db2.gz ANTDBHFDLCGSFM-UHFFFAOYSA-N 1 2 215.322 1.777 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000930828454 639932181 /nfs/dbraw/zinc/93/21/81/639932181.db2.gz YGKRISJDRYWYER-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000930828454 639932184 /nfs/dbraw/zinc/93/21/84/639932184.db2.gz YGKRISJDRYWYER-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930872049 639961386 /nfs/dbraw/zinc/96/13/86/639961386.db2.gz GXXZJPZQSCXBHN-SKDRFNHKSA-N 1 2 229.320 1.221 20 0 BDADLO CC(C)[C@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930870178 639961812 /nfs/dbraw/zinc/96/18/12/639961812.db2.gz BTOOGSKEFKDTLJ-BXKDBHETSA-N 1 2 229.320 1.077 20 0 BDADLO C[C@H]1CCCCN1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000912148583 639974967 /nfs/dbraw/zinc/97/49/67/639974967.db2.gz VYUJPLIXWCOYGC-HBNTYKKESA-N 1 2 248.330 1.419 20 0 BDADLO C[C@H]1CCCCN1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000912148583 639974974 /nfs/dbraw/zinc/97/49/74/639974974.db2.gz VYUJPLIXWCOYGC-HBNTYKKESA-N 1 2 248.330 1.419 20 0 BDADLO COC/C(C)=C\C[N@H+](C)Cc1cnc[nH]1 ZINC000930913593 639984772 /nfs/dbraw/zinc/98/47/72/639984772.db2.gz BHRKCNOPUXNQLC-WMZJFQQLSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)Cc1cnc[nH]1 ZINC000930913593 639984779 /nfs/dbraw/zinc/98/47/79/639984779.db2.gz BHRKCNOPUXNQLC-WMZJFQQLSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C\C[N@H+](C)Cc1c[nH]cn1 ZINC000930913593 639984785 /nfs/dbraw/zinc/98/47/85/639984785.db2.gz BHRKCNOPUXNQLC-WMZJFQQLSA-N 1 2 209.293 1.434 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)Cc1c[nH]cn1 ZINC000930913593 639984792 /nfs/dbraw/zinc/98/47/92/639984792.db2.gz BHRKCNOPUXNQLC-WMZJFQQLSA-N 1 2 209.293 1.434 20 0 BDADLO [NH3+][C@@H](CC(=O)N(C1CC1)C1CCCC1)C(F)F ZINC000912334090 640032608 /nfs/dbraw/zinc/03/26/08/640032608.db2.gz WSWJCMHSNWXBHO-JTQLQIEISA-N 1 2 246.301 1.903 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCC1 ZINC000668953580 640036737 /nfs/dbraw/zinc/03/67/37/640036737.db2.gz OWLLPUFOGANTDS-VXGBXAGGSA-N 1 2 247.342 1.925 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nncs1 ZINC000931258610 640117715 /nfs/dbraw/zinc/11/77/15/640117715.db2.gz YIYNEQFTPATUFX-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nncs1 ZINC000931258610 640117720 /nfs/dbraw/zinc/11/77/20/640117720.db2.gz YIYNEQFTPATUFX-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000912514044 640103600 /nfs/dbraw/zinc/10/36/00/640103600.db2.gz CVCPZROMPFKBCA-SNVBAGLBSA-N 1 2 207.277 1.257 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000931222348 640105358 /nfs/dbraw/zinc/10/53/58/640105358.db2.gz KHQKLBXNTJQECV-GHMZBOCLSA-N 1 2 249.314 1.151 20 0 BDADLO CC1=C(C(=O)N[C@H](CO)c2c[nH+]cn2C)CCC1 ZINC000912615689 640139722 /nfs/dbraw/zinc/13/97/22/640139722.db2.gz UTHZGSKERRELEW-LLVKDONJSA-N 1 2 249.314 1.070 20 0 BDADLO CC1=C(C(=O)N[C@@H](CO)c2c[nH+]cn2C)CCC1 ZINC000912615691 640140338 /nfs/dbraw/zinc/14/03/38/640140338.db2.gz UTHZGSKERRELEW-NSHDSACASA-N 1 2 249.314 1.070 20 0 BDADLO CC(C)(CNC(=O)/C=C\C1CC1)n1cc[nH+]c1 ZINC000912615662 640141043 /nfs/dbraw/zinc/14/10/43/640141043.db2.gz OWYRPMFMJADSNQ-WAYWQWQTSA-N 1 2 233.315 1.701 20 0 BDADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCC(F)(F)F)C2 ZINC000931313501 640153101 /nfs/dbraw/zinc/15/31/01/640153101.db2.gz JGZDPTHFNXOEKK-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCC(F)(F)F)C2 ZINC000931313501 640153106 /nfs/dbraw/zinc/15/31/06/640153106.db2.gz JGZDPTHFNXOEKK-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO CC1CC(CNC(=O)CNc2cccc[nH+]2)C1 ZINC000912827389 640214389 /nfs/dbraw/zinc/21/43/89/640214389.db2.gz NNWUAJMTRABIBS-UHFFFAOYSA-N 1 2 233.315 1.656 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461599 640220316 /nfs/dbraw/zinc/22/03/16/640220316.db2.gz VZUIAHBOEUFMIB-POYBYMJQSA-N 1 2 249.236 1.252 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)Cc2c[nH]nc21 ZINC000931461599 640220324 /nfs/dbraw/zinc/22/03/24/640220324.db2.gz VZUIAHBOEUFMIB-POYBYMJQSA-N 1 2 249.236 1.252 20 0 BDADLO C/C=C\C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000912910276 640235278 /nfs/dbraw/zinc/23/52/78/640235278.db2.gz SOGIBBGTTSXCIN-DJWKRKHSSA-N 1 2 245.326 1.874 20 0 BDADLO CC[C@H](CO)[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000931536599 640261908 /nfs/dbraw/zinc/26/19/08/640261908.db2.gz WCWYNFFJVPRTIY-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](CO)[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000931536599 640261915 /nfs/dbraw/zinc/26/19/15/640261915.db2.gz WCWYNFFJVPRTIY-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+][C@@H](CC)CO ZINC000931614514 640290197 /nfs/dbraw/zinc/29/01/97/640290197.db2.gz WQFUPEUOPGCWEM-QWRGUYRKSA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccns1 ZINC000913057653 640295307 /nfs/dbraw/zinc/29/53/07/640295307.db2.gz QSPFTJQDMLBUMJ-SSDOTTSWSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccns1 ZINC000913057653 640295320 /nfs/dbraw/zinc/29/53/20/640295320.db2.gz QSPFTJQDMLBUMJ-SSDOTTSWSA-N 1 2 236.300 1.684 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccns1 ZINC000913057516 640295808 /nfs/dbraw/zinc/29/58/08/640295808.db2.gz OHZCDRISNWQZMI-HTQZYQBOSA-N 1 2 248.311 1.619 20 0 BDADLO CC1(C)CNC(=O)[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC000931658369 640306695 /nfs/dbraw/zinc/30/66/95/640306695.db2.gz KOHJFYTWLNGKKF-XUTFHDRNSA-N 1 2 237.130 1.420 20 0 BDADLO c1nc2c([nH]1)C1(CCC1)[N@H+](CC1OCCO1)CC2 ZINC000931678500 640311064 /nfs/dbraw/zinc/31/10/64/640311064.db2.gz ILNLSJTYFRGBNV-UHFFFAOYSA-N 1 2 249.314 1.020 20 0 BDADLO c1nc2c([nH]1)C1(CCC1)[N@@H+](CC1OCCO1)CC2 ZINC000931678500 640311069 /nfs/dbraw/zinc/31/10/69/640311069.db2.gz ILNLSJTYFRGBNV-UHFFFAOYSA-N 1 2 249.314 1.020 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CC=CCC1 ZINC000913151120 640314129 /nfs/dbraw/zinc/31/41/29/640314129.db2.gz TVVYLJVLZGZCBQ-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931769279 640360972 /nfs/dbraw/zinc/36/09/72/640360972.db2.gz VALNBZRHVGCUPV-GMSGAONNSA-N 1 2 215.256 1.701 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931925440 640392177 /nfs/dbraw/zinc/39/21/77/640392177.db2.gz KXRVFSDDKOZDPG-HIFRSBDPSA-N 1 2 245.322 1.823 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931925440 640392181 /nfs/dbraw/zinc/39/21/81/640392181.db2.gz KXRVFSDDKOZDPG-HIFRSBDPSA-N 1 2 245.322 1.823 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3cn(C)cn3)C2)no1 ZINC000931938588 640395800 /nfs/dbraw/zinc/39/58/00/640395800.db2.gz TWUDHJCCQSLOSB-SNVBAGLBSA-N 1 2 247.302 1.101 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3cn(C)cn3)C2)no1 ZINC000931938588 640395802 /nfs/dbraw/zinc/39/58/02/640395802.db2.gz TWUDHJCCQSLOSB-SNVBAGLBSA-N 1 2 247.302 1.101 20 0 BDADLO C[N@@H+]1CCC[C@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000044539394 640399788 /nfs/dbraw/zinc/39/97/88/640399788.db2.gz FRBVWPVVUANPTG-SNVBAGLBSA-N 1 2 249.314 1.534 20 0 BDADLO C[N@H+]1CCC[C@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000044539394 640399792 /nfs/dbraw/zinc/39/97/92/640399792.db2.gz FRBVWPVVUANPTG-SNVBAGLBSA-N 1 2 249.314 1.534 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=S)NC(C)(C)C ZINC000054937235 640423252 /nfs/dbraw/zinc/42/32/52/640423252.db2.gz XOMCTNLOVCZTDI-VIFPVBQESA-N 1 2 240.376 1.534 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932261127 640461550 /nfs/dbraw/zinc/46/15/50/640461550.db2.gz HVJQUFGQFHEJEB-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932261127 640461555 /nfs/dbraw/zinc/46/15/55/640461555.db2.gz HVJQUFGQFHEJEB-ZDUSSCGKSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC000932350445 640494551 /nfs/dbraw/zinc/49/45/51/640494551.db2.gz LQPGTBNJXARQLP-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CCO[C@@H](C)CC2)n1 ZINC000932350445 640494557 /nfs/dbraw/zinc/49/45/57/640494557.db2.gz LQPGTBNJXARQLP-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cn1ncc(Cl)c1C ZINC000156755857 640497540 /nfs/dbraw/zinc/49/75/40/640497540.db2.gz ULTVCKOABRVFQO-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cn1ncc(Cl)c1C ZINC000156755857 640497545 /nfs/dbraw/zinc/49/75/45/640497545.db2.gz ULTVCKOABRVFQO-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C)C(C)(C)OC ZINC000932371197 640501910 /nfs/dbraw/zinc/50/19/10/640501910.db2.gz YGAJSDWEGNPXRK-UWVGGRQHSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@@H](F)CC[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001030050714 640547743 /nfs/dbraw/zinc/54/77/43/640547743.db2.gz OQTWNBOAKUHLEF-SSDOTTSWSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H]1COC[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000932487879 640552267 /nfs/dbraw/zinc/55/22/67/640552267.db2.gz DDKDUJSPPGKNBE-RITPCOANSA-N 1 2 233.218 1.132 20 0 BDADLO CCN(Cc1ccccn1)c1cc(NC)[nH+]cn1 ZINC000157048391 640565495 /nfs/dbraw/zinc/56/54/95/640565495.db2.gz DVFIWZUTAXVMKK-UHFFFAOYSA-N 1 2 243.314 1.940 20 0 BDADLO CCN(Cc1ccccn1)c1cc(NC)nc[nH+]1 ZINC000157048391 640565503 /nfs/dbraw/zinc/56/55/03/640565503.db2.gz DVFIWZUTAXVMKK-UHFFFAOYSA-N 1 2 243.314 1.940 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCn2cccc2C1 ZINC000932526410 640567051 /nfs/dbraw/zinc/56/70/51/640567051.db2.gz SKWBHLGWCLEFDK-UHFFFAOYSA-N 1 2 236.315 1.647 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCn2cccc2C1 ZINC000932526410 640567056 /nfs/dbraw/zinc/56/70/56/640567056.db2.gz SKWBHLGWCLEFDK-UHFFFAOYSA-N 1 2 236.315 1.647 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602871 640582455 /nfs/dbraw/zinc/58/24/55/640582455.db2.gz LDFQHOSWMFXMPJ-SNVBAGLBSA-N 1 2 235.331 1.611 20 0 BDADLO CO[C@H](C)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602871 640582461 /nfs/dbraw/zinc/58/24/61/640582461.db2.gz LDFQHOSWMFXMPJ-SNVBAGLBSA-N 1 2 235.331 1.611 20 0 BDADLO CCC[C@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000932615484 640588939 /nfs/dbraw/zinc/58/89/39/640588939.db2.gz QEQWBNQHWWPONI-JTQLQIEISA-N 1 2 233.271 1.434 20 0 BDADLO Cc1ccccc1C[NH+]1CC(NC(=O)C(C)C)C1 ZINC001030112922 640601937 /nfs/dbraw/zinc/60/19/37/640601937.db2.gz MLROPCYAGULQTG-UHFFFAOYSA-N 1 2 246.354 1.951 20 0 BDADLO CCC1(CC(=O)N2CC(n3cc[nH+]c3)C2)COC1 ZINC000932827770 640613997 /nfs/dbraw/zinc/61/39/97/640613997.db2.gz YZZGMUVKGJWKNA-UHFFFAOYSA-N 1 2 249.314 1.083 20 0 BDADLO CCCNC(=O)CCC[N@@H+]1CCCC(=O)[C@@H]1C ZINC000932848393 640620815 /nfs/dbraw/zinc/62/08/15/640620815.db2.gz HXHYFAAZSIBHQM-NSHDSACASA-N 1 2 240.347 1.346 20 0 BDADLO CCCNC(=O)CCC[N@H+]1CCCC(=O)[C@@H]1C ZINC000932848393 640620820 /nfs/dbraw/zinc/62/08/20/640620820.db2.gz HXHYFAAZSIBHQM-NSHDSACASA-N 1 2 240.347 1.346 20 0 BDADLO CCc1ncc(C[N@@H+]2C3CCC2(C(N)=O)CC3)o1 ZINC000932937342 640651084 /nfs/dbraw/zinc/65/10/84/640651084.db2.gz LOTMRZMIDFGIIH-UHFFFAOYSA-N 1 2 249.314 1.219 20 0 BDADLO CCc1ncc(C[N@H+]2C3CCC2(C(N)=O)CC3)o1 ZINC000932937342 640651087 /nfs/dbraw/zinc/65/10/87/640651087.db2.gz LOTMRZMIDFGIIH-UHFFFAOYSA-N 1 2 249.314 1.219 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nnc(CC)o2)C1 ZINC000932980921 640661142 /nfs/dbraw/zinc/66/11/42/640661142.db2.gz RGMOXCPKAAUETM-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nnc(CC)o2)C1 ZINC000932980921 640661145 /nfs/dbraw/zinc/66/11/45/640661145.db2.gz RGMOXCPKAAUETM-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO C[C@H](C(=O)NC1C[NH+](CCCF)C1)C1CC1 ZINC001030194440 640670777 /nfs/dbraw/zinc/67/07/77/640670777.db2.gz MRJOJGTWFKGHKF-VIFPVBQESA-N 1 2 228.311 1.193 20 0 BDADLO COCc1noc([C@H]([NH3+])c2ccccc2)n1 ZINC000045893330 640673733 /nfs/dbraw/zinc/67/37/33/640673733.db2.gz MQFOOJVYMKOLTR-SNVBAGLBSA-N 1 2 219.244 1.264 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933203323 640680822 /nfs/dbraw/zinc/68/08/22/640680822.db2.gz PATGEQLOMGUQQF-ZDUSSCGKSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933203323 640680826 /nfs/dbraw/zinc/68/08/26/640680826.db2.gz PATGEQLOMGUQQF-ZDUSSCGKSA-N 1 2 247.342 1.786 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1conc1C ZINC000933217520 640683163 /nfs/dbraw/zinc/68/31/63/640683163.db2.gz FPVOBWPLDKBHPB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1conc1C ZINC000933217520 640683168 /nfs/dbraw/zinc/68/31/68/640683168.db2.gz FPVOBWPLDKBHPB-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO C[C@H](CNC(=O)[C@]1(C)C=CCC1)Cn1cc[nH+]c1 ZINC000933299418 640702761 /nfs/dbraw/zinc/70/27/61/640702761.db2.gz RYQHPEYPFOOPNT-TZMCWYRMSA-N 1 2 247.342 1.992 20 0 BDADLO FCC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933675553 640740628 /nfs/dbraw/zinc/74/06/28/640740628.db2.gz PIWVCZGTSKBBFH-GHMZBOCLSA-N 1 2 217.284 1.083 20 0 BDADLO FCC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933675553 640740633 /nfs/dbraw/zinc/74/06/33/640740633.db2.gz PIWVCZGTSKBBFH-GHMZBOCLSA-N 1 2 217.284 1.083 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001030358061 640785793 /nfs/dbraw/zinc/78/57/93/640785793.db2.gz RIZZYJRFJCUYJT-GFCCVEGCSA-N 1 2 236.359 1.943 20 0 BDADLO CCC[C@@H](OC)c1noc(C[NH2+]CCOC)n1 ZINC000227310879 640827175 /nfs/dbraw/zinc/82/71/75/640827175.db2.gz ZMERNPFGOMLLTE-SECBINFHSA-N 1 2 243.307 1.293 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1cncs1 ZINC000229129116 640925559 /nfs/dbraw/zinc/92/55/59/640925559.db2.gz WSPIQTURCBVBEC-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO CCCNc1cc(N[C@H](C)COC)nc[nH+]1 ZINC000087807838 641050956 /nfs/dbraw/zinc/05/09/56/641050956.db2.gz AOPCRHRYHAKCNB-SECBINFHSA-N 1 2 224.308 1.745 20 0 BDADLO CCCNc1cc(N[C@H](C)COC)[nH+]cn1 ZINC000087807838 641050959 /nfs/dbraw/zinc/05/09/59/641050959.db2.gz AOPCRHRYHAKCNB-SECBINFHSA-N 1 2 224.308 1.745 20 0 BDADLO CNc1cc(N2C[C@H](C)S[C@@H](C)C2)nc[nH+]1 ZINC000087830972 641063608 /nfs/dbraw/zinc/06/36/08/641063608.db2.gz HJESEIDNQULQIL-IUCAKERBSA-N 1 2 238.360 1.849 20 0 BDADLO CNc1cc(N2C[C@H](C)S[C@@H](C)C2)[nH+]cn1 ZINC000087830972 641063610 /nfs/dbraw/zinc/06/36/10/641063610.db2.gz HJESEIDNQULQIL-IUCAKERBSA-N 1 2 238.360 1.849 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000934105997 641068110 /nfs/dbraw/zinc/06/81/10/641068110.db2.gz ACEMAGDCDQSVOO-NEPJUHHUSA-N 1 2 238.287 1.486 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000934105997 641068115 /nfs/dbraw/zinc/06/81/15/641068115.db2.gz ACEMAGDCDQSVOO-NEPJUHHUSA-N 1 2 238.287 1.486 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1cccnc1)C1CC1 ZINC000934235538 641112075 /nfs/dbraw/zinc/11/20/75/641112075.db2.gz WTVAKQLYQWCTIO-MFKMUULPSA-N 1 2 248.326 1.554 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000932972646 641169440 /nfs/dbraw/zinc/16/94/40/641169440.db2.gz GLIPJPXQIWXOCZ-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000932972646 641169444 /nfs/dbraw/zinc/16/94/44/641169444.db2.gz GLIPJPXQIWXOCZ-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)ccn1 ZINC000934564998 641197124 /nfs/dbraw/zinc/19/71/24/641197124.db2.gz IPFGDRJIYMSGOX-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)ccn1 ZINC000934564998 641197129 /nfs/dbraw/zinc/19/71/29/641197129.db2.gz IPFGDRJIYMSGOX-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@H]2CC2(Cl)Cl)C[C@@H]1F ZINC000934579540 641207824 /nfs/dbraw/zinc/20/78/24/641207824.db2.gz BVVDKABDTQKJKV-GJMOJQLCSA-N 1 2 242.121 1.585 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C[C@@H]1F ZINC000934579540 641207829 /nfs/dbraw/zinc/20/78/29/641207829.db2.gz BVVDKABDTQKJKV-GJMOJQLCSA-N 1 2 242.121 1.585 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cncnc1 ZINC000232087844 641239905 /nfs/dbraw/zinc/23/99/05/641239905.db2.gz POVGGPGRFVGOKT-UHFFFAOYSA-N 1 2 217.276 1.866 20 0 BDADLO CC[C@@H](CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934871237 641293538 /nfs/dbraw/zinc/29/35/38/641293538.db2.gz ZMKGQOXWVDBMMW-JTQLQIEISA-N 1 2 247.298 1.454 20 0 BDADLO CC[NH+]1CC(NC(=O)c2nccc3occc32)C1 ZINC001030716835 641319730 /nfs/dbraw/zinc/31/97/30/641319730.db2.gz AUXLVMZAAJAWHI-UHFFFAOYSA-N 1 2 245.282 1.262 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030811319 641364461 /nfs/dbraw/zinc/36/44/61/641364461.db2.gz XMIDMEPHCZCRJE-NSHDSACASA-N 1 2 242.338 1.583 20 0 BDADLO COc1nnc(C[N@@H+]2C[C@@H](C)C[C@H]2C)s1 ZINC000929698003 641404736 /nfs/dbraw/zinc/40/47/36/641404736.db2.gz YIGOZDMLHNXVQS-JGVFFNPUSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2C[C@@H](C)C[C@H]2C)s1 ZINC000929698003 641404743 /nfs/dbraw/zinc/40/47/43/641404743.db2.gz YIGOZDMLHNXVQS-JGVFFNPUSA-N 1 2 227.333 1.777 20 0 BDADLO CC[NH+]1CC(NC(=O)c2occc2Cl)C1 ZINC001030906951 641413820 /nfs/dbraw/zinc/41/38/20/641413820.db2.gz MIIYCCLGUJPPSL-UHFFFAOYSA-N 1 2 228.679 1.367 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2occc2Cl)C1 ZINC001030907739 641415438 /nfs/dbraw/zinc/41/54/38/641415438.db2.gz WPUVNVPBMNOUMR-UHFFFAOYSA-N 1 2 242.706 1.757 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030911560 641417087 /nfs/dbraw/zinc/41/70/87/641417087.db2.gz SHMNSXOTPXPRON-JQWIXIFHSA-N 1 2 224.348 1.633 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000913750996 641465945 /nfs/dbraw/zinc/46/59/45/641465945.db2.gz LTEGKMUFEUJKQL-PHIMTYICSA-N 1 2 231.299 1.377 20 0 BDADLO CC[C@@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000935759631 641476439 /nfs/dbraw/zinc/47/64/39/641476439.db2.gz NLDRIVFUYDHXFI-GFCCVEGCSA-N 1 2 233.271 1.434 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001030945257 641498944 /nfs/dbraw/zinc/49/89/44/641498944.db2.gz FIZHLXAKBLZNPH-VIFPVBQESA-N 1 2 238.356 1.672 20 0 BDADLO Cc1oc(C=O)cc1C(=O)NCc1c[nH+]cn1C ZINC000936023975 641519242 /nfs/dbraw/zinc/51/92/42/641519242.db2.gz DBKGPNPDPQLWSH-UHFFFAOYSA-N 1 2 247.254 1.064 20 0 BDADLO CCOC[C@H]1CC[N@H+](Cc2nncs2)C1 ZINC000929777441 641531318 /nfs/dbraw/zinc/53/13/18/641531318.db2.gz COZOSCSWDSLQEM-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CCOC[C@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000929777441 641531322 /nfs/dbraw/zinc/53/13/22/641531322.db2.gz COZOSCSWDSLQEM-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CCN(CC)C(=O)C[NH2+]Cc1csc(C)n1 ZINC000041011020 641539683 /nfs/dbraw/zinc/53/96/83/641539683.db2.gz ZTKCBWRVJXANAN-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCCCCCNC(=O)NCCn1cc[nH+]c1 ZINC000042920440 641560234 /nfs/dbraw/zinc/56/02/34/641560234.db2.gz RSBSURBDJKBFFE-UHFFFAOYSA-N 1 2 238.335 1.763 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CC1(C)C ZINC000914379665 641654344 /nfs/dbraw/zinc/65/43/44/641654344.db2.gz CGHGKQLIUZYRTQ-CYBMUJFWSA-N 1 2 235.331 1.813 20 0 BDADLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1CCF ZINC000992948951 641683725 /nfs/dbraw/zinc/68/37/25/641683725.db2.gz NVFKCHRENBVJFF-YUMQZZPRSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1CCF ZINC000992948951 641683728 /nfs/dbraw/zinc/68/37/28/641683728.db2.gz NVFKCHRENBVJFF-YUMQZZPRSA-N 1 2 238.253 1.190 20 0 BDADLO CC[C@@H]1CC[N@H+](Cc2nnc(OC)s2)C1 ZINC000929822578 641697065 /nfs/dbraw/zinc/69/70/65/641697065.db2.gz PGDUUKNKXFJHAX-MRVPVSSYSA-N 1 2 227.333 1.779 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cc2nnc(OC)s2)C1 ZINC000929822578 641697068 /nfs/dbraw/zinc/69/70/68/641697068.db2.gz PGDUUKNKXFJHAX-MRVPVSSYSA-N 1 2 227.333 1.779 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cnoc2C2CC2)C1 ZINC001031191612 641795016 /nfs/dbraw/zinc/79/50/16/641795016.db2.gz SEUIBACFSVUAMC-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO C[C@@](O)(CC[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000189846222 641819741 /nfs/dbraw/zinc/81/97/41/641819741.db2.gz HAOREUQPTYSCDQ-CQSZACIVSA-N 1 2 245.326 1.797 20 0 BDADLO c1cn(Cc2cnn(-c3ccccc3)n2)c[nH+]1 ZINC000076829810 641829496 /nfs/dbraw/zinc/82/94/96/641829496.db2.gz XQFCTGAEYJCWGM-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO CCN(C(=O)c1ccco1)C1C[NH+](CC)C1 ZINC000949584926 641843689 /nfs/dbraw/zinc/84/36/89/641843689.db2.gz BNYDIANDNAJAAD-UHFFFAOYSA-N 1 2 222.288 1.446 20 0 BDADLO CCN(C(=O)c1cc(C)no1)C1C[NH+](CC)C1 ZINC000949666205 641852930 /nfs/dbraw/zinc/85/29/30/641852930.db2.gz SNAOBDZRBKRZIO-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1ncc(C[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000628117807 641857411 /nfs/dbraw/zinc/85/74/11/641857411.db2.gz VRXYTGYNKRGIKM-IUCAKERBSA-N 1 2 210.277 1.592 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](CCC(=O)CC)C1CC1 ZINC000190346115 641859325 /nfs/dbraw/zinc/85/93/25/641859325.db2.gz HTOCYUCVWGHSJO-JTQLQIEISA-N 1 2 241.331 1.772 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](CCC(=O)CC)C1CC1 ZINC000190346115 641859326 /nfs/dbraw/zinc/85/93/26/641859326.db2.gz HTOCYUCVWGHSJO-JTQLQIEISA-N 1 2 241.331 1.772 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1)c1nnnn1C1CC1 ZINC000190489900 641867734 /nfs/dbraw/zinc/86/77/34/641867734.db2.gz XBRUYRJOTDQSCM-VIFPVBQESA-N 1 2 244.302 1.254 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001031279367 641870850 /nfs/dbraw/zinc/87/08/50/641870850.db2.gz AALKIDYEWXJHMR-UONOGXRCSA-N 1 2 244.338 1.610 20 0 BDADLO COCC[NH+]1CC(NC(=O)c2ccc(C)cc2)C1 ZINC001031299776 641874890 /nfs/dbraw/zinc/87/48/90/641874890.db2.gz FHLYWXCQFNWABY-UHFFFAOYSA-N 1 2 248.326 1.055 20 0 BDADLO CCOc1ccc(C(=O)NC2C[NH+](CC)C2)cc1 ZINC001031335813 641977875 /nfs/dbraw/zinc/97/78/75/641977875.db2.gz FTRRNVKGIVAPGZ-UHFFFAOYSA-N 1 2 248.326 1.519 20 0 BDADLO CCNC(=O)C[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000917068605 642001663 /nfs/dbraw/zinc/00/16/63/642001663.db2.gz IPWLPZOMVIZTCG-SSDOTTSWSA-N 1 2 239.146 1.248 20 0 BDADLO CCNC(=O)C[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000917068605 642001668 /nfs/dbraw/zinc/00/16/68/642001668.db2.gz IPWLPZOMVIZTCG-SSDOTTSWSA-N 1 2 239.146 1.248 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001031371197 642028815 /nfs/dbraw/zinc/02/88/15/642028815.db2.gz OCJKTDGPCDGGSI-UHFFFAOYSA-N 1 2 244.338 1.609 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(COC)cc2)C1 ZINC001031373088 642031605 /nfs/dbraw/zinc/03/16/05/642031605.db2.gz FROCDKSNNYPGTM-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO Cc1ccoc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031549274 642293605 /nfs/dbraw/zinc/29/36/05/642293605.db2.gz IMWWORQRCDVBDI-UHFFFAOYSA-N 1 2 240.278 1.219 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CC2CC2)on1 ZINC000933215575 642393899 /nfs/dbraw/zinc/39/38/99/642393899.db2.gz SLWSEUBBASLGEY-GFCCVEGCSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2CC2CC2)on1 ZINC000933215575 642393902 /nfs/dbraw/zinc/39/39/02/642393902.db2.gz SLWSEUBBASLGEY-GFCCVEGCSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C)nc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000930104178 642401403 /nfs/dbraw/zinc/40/14/03/642401403.db2.gz ABODURXHFZQWEI-GFCCVEGCSA-N 1 2 233.315 1.019 20 0 BDADLO Cc1cc(C)nc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000930104178 642401405 /nfs/dbraw/zinc/40/14/05/642401405.db2.gz ABODURXHFZQWEI-GFCCVEGCSA-N 1 2 233.315 1.019 20 0 BDADLO C[C@@H](CNC(=O)C1(C)CC=CC1)Cn1cc[nH+]c1 ZINC000933297249 642509681 /nfs/dbraw/zinc/50/96/81/642509681.db2.gz FBMSCTIZBQETLT-LBPRGKRZSA-N 1 2 247.342 1.992 20 0 BDADLO CC[C@@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179513751 642723927 /nfs/dbraw/zinc/72/39/27/642723927.db2.gz HIJCJSZRNAXUDX-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCCC#N ZINC000069068046 642823838 /nfs/dbraw/zinc/82/38/38/642823838.db2.gz NCFKHINXPHIZRA-JTQLQIEISA-N 1 2 235.287 1.302 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCCC#N ZINC000069068046 642823844 /nfs/dbraw/zinc/82/38/44/642823844.db2.gz NCFKHINXPHIZRA-JTQLQIEISA-N 1 2 235.287 1.302 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccco1 ZINC001009925952 642846206 /nfs/dbraw/zinc/84/62/06/642846206.db2.gz MOYBKKHVHBLWLB-SECBINFHSA-N 1 2 226.251 1.053 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccco1 ZINC001009925952 642846207 /nfs/dbraw/zinc/84/62/07/642846207.db2.gz MOYBKKHVHBLWLB-SECBINFHSA-N 1 2 226.251 1.053 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000181433182 642871694 /nfs/dbraw/zinc/87/16/94/642871694.db2.gz UREHBLIGVVYBJM-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000181433182 642871695 /nfs/dbraw/zinc/87/16/95/642871695.db2.gz UREHBLIGVVYBJM-LLVKDONJSA-N 1 2 229.320 1.032 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010835110 642874213 /nfs/dbraw/zinc/87/42/13/642874213.db2.gz SGAOMLCFAPBBKV-JTQLQIEISA-N 1 2 239.294 1.097 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010835110 642874217 /nfs/dbraw/zinc/87/42/17/642874217.db2.gz SGAOMLCFAPBBKV-JTQLQIEISA-N 1 2 239.294 1.097 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1ccncc1 ZINC000069794806 642905610 /nfs/dbraw/zinc/90/56/10/642905610.db2.gz LKYIWJWNBCIYFS-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015542863 642907622 /nfs/dbraw/zinc/90/76/22/642907622.db2.gz SRTHFVUEJZMOMO-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015542863 642907627 /nfs/dbraw/zinc/90/76/27/642907627.db2.gz SRTHFVUEJZMOMO-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccc(C)cc1 ZINC000069794678 642907793 /nfs/dbraw/zinc/90/77/93/642907793.db2.gz KFKMEKQFHAUYLR-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000069890318 642928142 /nfs/dbraw/zinc/92/81/42/642928142.db2.gz ALKXVGNRHXVWAY-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018879167 643013837 /nfs/dbraw/zinc/01/38/37/643013837.db2.gz ZRTYXPDDCZYFPO-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001018879167 643013844 /nfs/dbraw/zinc/01/38/44/643013844.db2.gz ZRTYXPDDCZYFPO-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032091237 643246970 /nfs/dbraw/zinc/24/69/70/643246970.db2.gz LHMKDNJYZZLSDJ-AAEUAGOBSA-N 1 2 242.338 1.440 20 0 BDADLO C/C=C/C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082275500 643291377 /nfs/dbraw/zinc/29/13/77/643291377.db2.gz BASPBELNSJZABW-XCRNYIDWSA-N 1 2 219.288 1.692 20 0 BDADLO Cc1nc(N[C@@H](C)Cc2ccco2)nc(N)[nH+]1 ZINC000306093073 643298037 /nfs/dbraw/zinc/29/80/37/643298037.db2.gz MOYPRCSYOFWFRC-ZETCQYMHSA-N 1 2 233.275 1.398 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)Cc2ccco2)[nH+]1 ZINC000306093073 643298043 /nfs/dbraw/zinc/29/80/43/643298043.db2.gz MOYPRCSYOFWFRC-ZETCQYMHSA-N 1 2 233.275 1.398 20 0 BDADLO O=C(Cn1cc[nH+]c1)NNc1ccc(F)cc1 ZINC000072861617 643314844 /nfs/dbraw/zinc/31/48/44/643314844.db2.gz MBKNCQMSXKMOEG-UHFFFAOYSA-N 1 2 234.234 1.166 20 0 BDADLO COCCCCc1noc([C@@H](C)[NH+](C)C)n1 ZINC000923875587 643389200 /nfs/dbraw/zinc/38/92/00/643389200.db2.gz OHJSNRPWSWTIHL-SECBINFHSA-N 1 2 227.308 1.661 20 0 BDADLO C[NH+](C)c1ccc(N[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000926026514 643389342 /nfs/dbraw/zinc/38/93/42/643389342.db2.gz JWKKRGVFMPDSLL-GFCCVEGCSA-N 1 2 247.342 1.689 20 0 BDADLO O=C(C1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001032242108 643393206 /nfs/dbraw/zinc/39/32/06/643393206.db2.gz ITWYHKZTDAVFHW-XXQRJYNVSA-N 1 2 240.734 1.434 20 0 BDADLO O=C(C1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001032242108 643393212 /nfs/dbraw/zinc/39/32/12/643393212.db2.gz ITWYHKZTDAVFHW-XXQRJYNVSA-N 1 2 240.734 1.434 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](F)CC ZINC001032249335 643400403 /nfs/dbraw/zinc/40/04/03/643400403.db2.gz IOIRPBVBVLENJH-WOPDTQHZSA-N 1 2 242.338 1.820 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](F)CC ZINC001032249335 643400406 /nfs/dbraw/zinc/40/04/06/643400406.db2.gz IOIRPBVBVLENJH-WOPDTQHZSA-N 1 2 242.338 1.820 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032252314 643402134 /nfs/dbraw/zinc/40/21/34/643402134.db2.gz RWBNZJHKTIWHBR-NBLPHYOQSA-N 1 2 242.750 1.824 20 0 BDADLO CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001032252314 643402137 /nfs/dbraw/zinc/40/21/37/643402137.db2.gz RWBNZJHKTIWHBR-NBLPHYOQSA-N 1 2 242.750 1.824 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000075611800 643474334 /nfs/dbraw/zinc/47/43/34/643474334.db2.gz BBEYHZCDXCIQSR-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1cccc(Cl)n1 ZINC000075611800 643474342 /nfs/dbraw/zinc/47/43/42/643474342.db2.gz BBEYHZCDXCIQSR-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCOCC1(C)C ZINC000084002634 643637795 /nfs/dbraw/zinc/63/77/95/643637795.db2.gz AQGITEOXJVMYMQ-BJMVGYQFSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCOCC1(C)C ZINC000084002634 643637794 /nfs/dbraw/zinc/63/77/94/643637794.db2.gz AQGITEOXJVMYMQ-BJMVGYQFSA-N 1 2 227.304 1.217 20 0 BDADLO CCCCO[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000085988402 643880676 /nfs/dbraw/zinc/88/06/76/643880676.db2.gz IDLDWVRJHXQFQR-JTQLQIEISA-N 1 2 240.303 1.669 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922181074 643893382 /nfs/dbraw/zinc/89/33/82/643893382.db2.gz MDGKNQWDPGCEAB-APPZFPTMSA-N 1 2 206.245 1.363 20 0 BDADLO Cc1noc(C)c1[C@H](C)N[C@@H]1CC[N@H+](C)C1 ZINC000086109788 643909933 /nfs/dbraw/zinc/90/99/33/643909933.db2.gz ZPJYURSOCFZHNR-GZMMTYOYSA-N 1 2 223.320 1.646 20 0 BDADLO Cc1noc(C)c1[C@H](C)N[C@@H]1CC[N@@H+](C)C1 ZINC000086109788 643909939 /nfs/dbraw/zinc/90/99/39/643909939.db2.gz ZPJYURSOCFZHNR-GZMMTYOYSA-N 1 2 223.320 1.646 20 0 BDADLO c1ccc2oc(C[NH2+]CC3OCCCO3)nc2c1 ZINC000922279564 643946538 /nfs/dbraw/zinc/94/65/38/643946538.db2.gz NAAQIZZNTDFACE-UHFFFAOYSA-N 1 2 248.282 1.680 20 0 BDADLO CCOCCCC(=O)OCc1ccc[nH+]c1N ZINC000922348147 643977722 /nfs/dbraw/zinc/97/77/22/643977722.db2.gz GLACOIMDMPYQHB-UHFFFAOYSA-N 1 2 238.287 1.524 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922365086 643981191 /nfs/dbraw/zinc/98/11/91/643981191.db2.gz VEKGPVUVLJYAHV-ZJUUUORDSA-N 1 2 236.271 1.132 20 0 BDADLO CSC[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922430777 643994011 /nfs/dbraw/zinc/99/40/11/643994011.db2.gz UEPPXEPTKHYZRH-MRVPVSSYSA-N 1 2 240.328 1.706 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1=COCC1 ZINC000922456132 643996286 /nfs/dbraw/zinc/99/62/86/643996286.db2.gz RFHYUWGSEOIOPG-UHFFFAOYSA-N 1 2 220.228 1.011 20 0 BDADLO Cc1nn(C)cc1C(=O)OCc1ccc[nH+]c1N ZINC000922452935 643996444 /nfs/dbraw/zinc/99/64/44/643996444.db2.gz VWMAXWHBHUOWPK-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000922493165 644003773 /nfs/dbraw/zinc/00/37/73/644003773.db2.gz LYIFERHLXIPEOH-WOPDTQHZSA-N 1 2 241.331 1.296 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000922493165 644003780 /nfs/dbraw/zinc/00/37/80/644003780.db2.gz LYIFERHLXIPEOH-WOPDTQHZSA-N 1 2 241.331 1.296 20 0 BDADLO C/C=C(\C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922511677 644009379 /nfs/dbraw/zinc/00/93/79/644009379.db2.gz JKMJUYLYWANZPZ-FPYGCLRLSA-N 1 2 206.245 1.673 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1CCSC1 ZINC000922529463 644017112 /nfs/dbraw/zinc/01/71/12/644017112.db2.gz FRTHUKBGUKBNTH-SECBINFHSA-N 1 2 238.312 1.460 20 0 BDADLO CC[C@H](C)OCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922550627 644017988 /nfs/dbraw/zinc/01/79/88/644017988.db2.gz IXMKGVVPOSUUIR-VIFPVBQESA-N 1 2 238.287 1.522 20 0 BDADLO CS[C@@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922562766 644021268 /nfs/dbraw/zinc/02/12/68/644021268.db2.gz RQHXVNZKJACVOQ-QMMMGPOBSA-N 1 2 240.328 1.849 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2C[C@]23CCOC3)c[nH+]1 ZINC000922613752 644042025 /nfs/dbraw/zinc/04/20/25/644042025.db2.gz KJDLYRWXIQVWQC-GWCFXTLKSA-N 1 2 248.282 1.134 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(F)nc1)c1cn(C)nn1 ZINC000922635114 644047872 /nfs/dbraw/zinc/04/78/72/644047872.db2.gz NJHRBVVQMBWTKH-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO CC(C)/C=C\C(=O)OCc1ccc(N)[nH+]c1 ZINC000922655931 644059619 /nfs/dbraw/zinc/05/96/19/644059619.db2.gz INGACCOVMQAOGK-UTCJRWHESA-N 1 2 220.272 1.919 20 0 BDADLO Nc1ccc(COC(=O)C2CC3(CC3)C2)c[nH+]1 ZINC000922874293 644122376 /nfs/dbraw/zinc/12/23/76/644122376.db2.gz RMPFICPRLCTVRI-UHFFFAOYSA-N 1 2 232.283 1.897 20 0 BDADLO CC(C)/C=C/C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000192881099 644193543 /nfs/dbraw/zinc/19/35/43/644193543.db2.gz FMRDVGPBAKAJGP-ZYOFXKKJSA-N 1 2 241.331 1.463 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cc(C3CC3)nn2C)n1 ZINC000922946921 644198243 /nfs/dbraw/zinc/19/82/43/644198243.db2.gz CXISXCDDMJLHIM-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086935583 644298076 /nfs/dbraw/zinc/29/80/76/644298076.db2.gz FAVIQRPEJBLVDB-XHNCKOQMSA-N 1 2 217.334 1.422 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](COC)C(C)C ZINC000083400179 644402783 /nfs/dbraw/zinc/40/27/83/644402783.db2.gz KPIRDOPJSMLONT-NSHDSACASA-N 1 2 231.336 1.590 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000923440494 644432770 /nfs/dbraw/zinc/43/27/70/644432770.db2.gz HRCDGAIHOAMEPD-OUAUKWLOSA-N 1 2 238.287 1.097 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000087376978 644491467 /nfs/dbraw/zinc/49/14/67/644491467.db2.gz NHXJGMVHSSSXIK-JTQLQIEISA-N 1 2 224.329 1.944 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000087376978 644491475 /nfs/dbraw/zinc/49/14/75/644491475.db2.gz NHXJGMVHSSSXIK-JTQLQIEISA-N 1 2 224.329 1.944 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1cccs1 ZINC000091535438 644629206 /nfs/dbraw/zinc/62/92/06/644629206.db2.gz OAHYXIVMCQRUKE-UHFFFAOYSA-N 1 2 228.317 1.200 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1cccs1 ZINC000091535438 644629211 /nfs/dbraw/zinc/62/92/11/644629211.db2.gz OAHYXIVMCQRUKE-UHFFFAOYSA-N 1 2 228.317 1.200 20 0 BDADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000760226388 644647608 /nfs/dbraw/zinc/64/76/08/644647608.db2.gz NDMWOFGKVKCZPD-JTQLQIEISA-N 1 2 247.302 1.272 20 0 BDADLO COc1ccsc1C[N@@H+]1CCCNC(=O)C1 ZINC000769114322 644678590 /nfs/dbraw/zinc/67/85/90/644678590.db2.gz KDTPYQISIZLLKI-UHFFFAOYSA-N 1 2 240.328 1.079 20 0 BDADLO COc1ccsc1C[N@H+]1CCCNC(=O)C1 ZINC000769114322 644678599 /nfs/dbraw/zinc/67/85/99/644678599.db2.gz KDTPYQISIZLLKI-UHFFFAOYSA-N 1 2 240.328 1.079 20 0 BDADLO CC[C@H](CCO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000094954269 644734368 /nfs/dbraw/zinc/73/43/68/644734368.db2.gz BZLCVAYVTPRHAZ-WDEREUQCSA-N 1 2 245.363 1.715 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC12CCC2 ZINC000793240811 644801669 /nfs/dbraw/zinc/80/16/69/644801669.db2.gz GXEHOBXKDIWETH-NSHDSACASA-N 1 2 234.299 1.696 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC[C@@H]1C=CCC1 ZINC000834327120 645138907 /nfs/dbraw/zinc/13/89/07/645138907.db2.gz POEMSTSCNCSSHY-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926525285 645255354 /nfs/dbraw/zinc/25/53/54/645255354.db2.gz JQOVGPMSFMMJGS-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)c2cnnn2C)c1 ZINC000926659392 645343111 /nfs/dbraw/zinc/34/31/11/645343111.db2.gz HUMIMNWYVBGTSG-VIFPVBQESA-N 1 2 247.302 1.530 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)c1 ZINC000846980705 645411936 /nfs/dbraw/zinc/41/19/36/645411936.db2.gz SRNMSYAFMYSHTQ-YPMHNXCESA-N 1 2 246.310 1.495 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@H+]([C@H]3CCOC3=O)C2)c1 ZINC000846980705 645411944 /nfs/dbraw/zinc/41/19/44/645411944.db2.gz SRNMSYAFMYSHTQ-YPMHNXCESA-N 1 2 246.310 1.495 20 0 BDADLO OCC[C@@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000847003634 645413032 /nfs/dbraw/zinc/41/30/32/645413032.db2.gz PEONTMHIKYIFMT-SNVBAGLBSA-N 1 2 241.360 1.523 20 0 BDADLO OCC[C@@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000847003634 645413038 /nfs/dbraw/zinc/41/30/38/645413038.db2.gz PEONTMHIKYIFMT-SNVBAGLBSA-N 1 2 241.360 1.523 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000857439094 645558924 /nfs/dbraw/zinc/55/89/24/645558924.db2.gz HUAVVCDBMUFGDA-UHFFFAOYSA-N 1 2 233.246 1.754 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccc(O)cc1 ZINC000857471767 645569131 /nfs/dbraw/zinc/56/91/31/645569131.db2.gz KHFWEAFJHCPHGA-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@]12C[C@H]1CCCC2 ZINC000927435117 645612565 /nfs/dbraw/zinc/61/25/65/645612565.db2.gz DDBVUGMZIQSBSU-RISCZKNCSA-N 1 2 247.342 1.659 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927492874 645627922 /nfs/dbraw/zinc/62/79/22/645627922.db2.gz JLTINTROZNCZAI-AVGNSLFASA-N 1 2 247.342 1.826 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)cnc1F ZINC000857623325 645630937 /nfs/dbraw/zinc/63/09/37/645630937.db2.gz XFGPBJDUYVWPBO-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO Cc1ncc(COC(=O)CCCn2cc[nH+]c2)o1 ZINC000857656277 645639271 /nfs/dbraw/zinc/63/92/71/645639271.db2.gz KBCPFJRHOALJBZ-UHFFFAOYSA-N 1 2 249.270 1.703 20 0 BDADLO CC1(C)C[N@@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC000930269343 645694961 /nfs/dbraw/zinc/69/49/61/645694961.db2.gz WGYVVIKJIPVXIG-NSHDSACASA-N 1 2 242.269 1.563 20 0 BDADLO CC1(C)C[N@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC000930269343 645694950 /nfs/dbraw/zinc/69/49/50/645694950.db2.gz WGYVVIKJIPVXIG-NSHDSACASA-N 1 2 242.269 1.563 20 0 BDADLO CC[C@]1(C)CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866551591 645730339 /nfs/dbraw/zinc/73/03/39/645730339.db2.gz NURIHOLCZOHBBL-CMPLNLGQSA-N 1 2 237.303 1.092 20 0 BDADLO CCCNc1cc(NCCn2cccn2)nc[nH+]1 ZINC000130607958 645845477 /nfs/dbraw/zinc/84/54/77/645845477.db2.gz ZPKFJJASYJIPKU-UHFFFAOYSA-N 1 2 246.318 1.607 20 0 BDADLO CCCNc1cc(NCCn2cccn2)[nH+]cn1 ZINC000130607958 645845478 /nfs/dbraw/zinc/84/54/78/645845478.db2.gz ZPKFJJASYJIPKU-UHFFFAOYSA-N 1 2 246.318 1.607 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CC(C)C ZINC000928637082 645852102 /nfs/dbraw/zinc/85/21/02/645852102.db2.gz ZNHBUENARLCEAQ-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC(C)C ZINC000928637083 645853149 /nfs/dbraw/zinc/85/31/49/645853149.db2.gz ZNHBUENARLCEAQ-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO C[NH+]1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC000929100494 645940871 /nfs/dbraw/zinc/94/08/71/645940871.db2.gz MHUJFGRYZMXBIF-UHFFFAOYSA-N 1 2 246.310 1.009 20 0 BDADLO C[C@H](c1nc(C2CSC2)no1)[NH+](C)C ZINC000924109440 645980131 /nfs/dbraw/zinc/98/01/31/645980131.db2.gz ARILSDIPKXONSO-ZCFIWIBFSA-N 1 2 213.306 1.523 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCc1ccns1 ZINC000929252919 646035654 /nfs/dbraw/zinc/03/56/54/646035654.db2.gz ZWFVOMLOYMUFIO-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO C[C@H]1COCC[N@H+]1CCc1ccns1 ZINC000929252919 646035660 /nfs/dbraw/zinc/03/56/60/646035660.db2.gz ZWFVOMLOYMUFIO-VIFPVBQESA-N 1 2 212.318 1.406 20 0 BDADLO Cc1cc(C[N@H+](C)CCOC2CC2)no1 ZINC000929257498 646040498 /nfs/dbraw/zinc/04/04/98/646040498.db2.gz NVQXGTMTMOSIPC-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOC2CC2)no1 ZINC000929257498 646040502 /nfs/dbraw/zinc/04/05/02/646040502.db2.gz NVQXGTMTMOSIPC-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nnsc1[C@@H](C)[NH+]1CCSCC1 ZINC000929276067 646057627 /nfs/dbraw/zinc/05/76/27/646057627.db2.gz ICOOVSYGGKQFSK-MRVPVSSYSA-N 1 2 229.374 1.956 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccnn2C)nn1 ZINC000924643560 646084098 /nfs/dbraw/zinc/08/40/98/646084098.db2.gz KSZIGPSKYZVHFZ-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO CON1CC[C@@H]([N@H+](C)Cc2ccoc2C)C1=O ZINC000929336111 646084943 /nfs/dbraw/zinc/08/49/43/646084943.db2.gz QAYMQSKAWKSFGV-LLVKDONJSA-N 1 2 238.287 1.182 20 0 BDADLO CON1CC[C@@H]([N@@H+](C)Cc2ccoc2C)C1=O ZINC000929336111 646084948 /nfs/dbraw/zinc/08/49/48/646084948.db2.gz QAYMQSKAWKSFGV-LLVKDONJSA-N 1 2 238.287 1.182 20 0 BDADLO COCCC[N@H+](C)Cc1c(F)cncc1F ZINC000929351628 646094490 /nfs/dbraw/zinc/09/44/90/646094490.db2.gz JZXBPGRBSXHCMA-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO COCCC[N@@H+](C)Cc1c(F)cncc1F ZINC000929351628 646094497 /nfs/dbraw/zinc/09/44/97/646094497.db2.gz JZXBPGRBSXHCMA-UHFFFAOYSA-N 1 2 230.258 1.828 20 0 BDADLO CCc1ncc(C[N@@H+](CC)Cc2cnn(C)c2)o1 ZINC000929464341 646127600 /nfs/dbraw/zinc/12/76/00/646127600.db2.gz LKLMKUZPVHMDBU-UHFFFAOYSA-N 1 2 248.330 1.993 20 0 BDADLO CCc1ncc(C[N@H+](CC)Cc2cnn(C)c2)o1 ZINC000929464341 646127606 /nfs/dbraw/zinc/12/76/06/646127606.db2.gz LKLMKUZPVHMDBU-UHFFFAOYSA-N 1 2 248.330 1.993 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@@H]1CCCOC1 ZINC000929608920 646197775 /nfs/dbraw/zinc/19/77/75/646197775.db2.gz UDEBVTILPPGUSK-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@@H]1CCCOC1 ZINC000929608920 646197780 /nfs/dbraw/zinc/19/77/80/646197780.db2.gz UDEBVTILPPGUSK-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO CC(C)c1nsc(C[N@H+](C)C(C)(C)CO)n1 ZINC000929674540 646235691 /nfs/dbraw/zinc/23/56/91/646235691.db2.gz MNVLMHWJQZSHDS-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nsc(C[N@@H+](C)C(C)(C)CO)n1 ZINC000929674540 646235696 /nfs/dbraw/zinc/23/56/96/646235696.db2.gz MNVLMHWJQZSHDS-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000925459234 646287455 /nfs/dbraw/zinc/28/74/55/646287455.db2.gz FAWFUEPNBGIBAB-JTQLQIEISA-N 1 2 248.334 1.741 20 0 BDADLO COc1nnc(C[N@@H+]2CCC[C@H]2C)s1 ZINC000929756024 646288004 /nfs/dbraw/zinc/28/80/04/646288004.db2.gz ZYJLBJGVCWBAIF-SSDOTTSWSA-N 1 2 213.306 1.531 20 0 BDADLO COc1nnc(C[N@H+]2CCC[C@H]2C)s1 ZINC000929756024 646288007 /nfs/dbraw/zinc/28/80/07/646288007.db2.gz ZYJLBJGVCWBAIF-SSDOTTSWSA-N 1 2 213.306 1.531 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC000929788504 646318557 /nfs/dbraw/zinc/31/85/57/646318557.db2.gz NRPCLFDFVSRVJE-NSHDSACASA-N 1 2 228.242 1.317 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000929788504 646318561 /nfs/dbraw/zinc/31/85/61/646318561.db2.gz NRPCLFDFVSRVJE-NSHDSACASA-N 1 2 228.242 1.317 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+](C)Cc1cnccn1 ZINC000929797786 646325064 /nfs/dbraw/zinc/32/50/64/646325064.db2.gz LBLBEPRAFIJZFU-UXBLZVDNSA-N 1 2 235.287 1.028 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+](C)Cc1cnccn1 ZINC000929797786 646325071 /nfs/dbraw/zinc/32/50/71/646325071.db2.gz LBLBEPRAFIJZFU-UXBLZVDNSA-N 1 2 235.287 1.028 20 0 BDADLO COc1nnc(C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC000929830057 646345790 /nfs/dbraw/zinc/34/57/90/646345790.db2.gz YMJWRBNAUSTDLZ-HTQZYQBOSA-N 1 2 227.333 1.920 20 0 BDADLO COC/C(C)=C/C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000929836040 646350452 /nfs/dbraw/zinc/35/04/52/646350452.db2.gz PCENSQJGUAELLL-YTRUQHMWSA-N 1 2 243.347 1.851 20 0 BDADLO COC/C(C)=C/C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000929836040 646350454 /nfs/dbraw/zinc/35/04/54/646350454.db2.gz PCENSQJGUAELLL-YTRUQHMWSA-N 1 2 243.347 1.851 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000925647919 646389727 /nfs/dbraw/zinc/38/97/27/646389727.db2.gz KJAMUGYKBGIVLE-ZETCQYMHSA-N 1 2 235.291 1.271 20 0 BDADLO CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930028159 646401099 /nfs/dbraw/zinc/40/10/99/646401099.db2.gz JZUYIBLXJRQNPU-UHFFFAOYSA-N 1 2 203.245 1.655 20 0 BDADLO C[N@H+](Cc1nncs1)CC1(O)CCCC1 ZINC000930081154 646424312 /nfs/dbraw/zinc/42/43/12/646424312.db2.gz HIHVDOLLWWIKCR-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO C[N@@H+](Cc1nncs1)CC1(O)CCCC1 ZINC000930081154 646424315 /nfs/dbraw/zinc/42/43/15/646424315.db2.gz HIHVDOLLWWIKCR-UHFFFAOYSA-N 1 2 227.333 1.275 20 0 BDADLO CC1=CC[N@H+](CC(=O)Nc2cccnn2)CC1 ZINC000930095652 646433107 /nfs/dbraw/zinc/43/31/07/646433107.db2.gz SBWNLVSPDRWCST-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO CC1=CC[N@@H+](CC(=O)Nc2cccnn2)CC1 ZINC000930095652 646433111 /nfs/dbraw/zinc/43/31/11/646433111.db2.gz SBWNLVSPDRWCST-UHFFFAOYSA-N 1 2 232.287 1.067 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@H]2C2CC2)o1 ZINC000930130664 646452916 /nfs/dbraw/zinc/45/29/16/646452916.db2.gz RTCCLVACHBGSJM-LBPRGKRZSA-N 1 2 236.315 1.848 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@H]2C2CC2)o1 ZINC000930130664 646452920 /nfs/dbraw/zinc/45/29/20/646452920.db2.gz RTCCLVACHBGSJM-LBPRGKRZSA-N 1 2 236.315 1.848 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000930132296 646452974 /nfs/dbraw/zinc/45/29/74/646452974.db2.gz WEZRDNPOKNOYSQ-WPRPVWTQSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000930132296 646452976 /nfs/dbraw/zinc/45/29/76/646452976.db2.gz WEZRDNPOKNOYSQ-WPRPVWTQSA-N 1 2 237.290 1.095 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@H](C3CC3)C2)s1 ZINC000930138723 646454966 /nfs/dbraw/zinc/45/49/66/646454966.db2.gz ARWRJNUOQNAZGD-VIFPVBQESA-N 1 2 239.344 1.779 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@H](C3CC3)C2)s1 ZINC000930138723 646454969 /nfs/dbraw/zinc/45/49/69/646454969.db2.gz ARWRJNUOQNAZGD-VIFPVBQESA-N 1 2 239.344 1.779 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC000930160945 646464499 /nfs/dbraw/zinc/46/44/99/646464499.db2.gz CJAKHOYCRRORHN-WRWORJQWSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC000930160945 646464502 /nfs/dbraw/zinc/46/45/02/646464502.db2.gz CJAKHOYCRRORHN-WRWORJQWSA-N 1 2 228.242 1.172 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000925821650 646495573 /nfs/dbraw/zinc/49/55/73/646495573.db2.gz NZTGCCDEUNVSBY-JDNHERCYSA-N 1 2 243.332 1.479 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H]2CNOC2)c(C)s1 ZINC000925871127 646521860 /nfs/dbraw/zinc/52/18/60/646521860.db2.gz NKNZFUSYJXKOQW-MUWHJKNJSA-N 1 2 227.333 1.314 20 0 BDADLO O[C@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC000725662399 711669055 /nfs/dbraw/zinc/66/90/55/711669055.db2.gz YVVMNESVNQPVHF-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO O[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC000725662399 711669056 /nfs/dbraw/zinc/66/90/56/711669056.db2.gz YVVMNESVNQPVHF-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO Cn1c[nH+]c(CCNc2nccnc2Cl)c1 ZINC000313348865 711718725 /nfs/dbraw/zinc/71/87/25/711718725.db2.gz IPTHAWKSWHQRJS-UHFFFAOYSA-N 1 2 237.694 1.518 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCOC[C@H]1C ZINC000399644663 711757584 /nfs/dbraw/zinc/75/75/84/711757584.db2.gz HVFHNTVEVSWPGP-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCOC[C@H]1C ZINC000399644663 711757586 /nfs/dbraw/zinc/75/75/86/711757586.db2.gz HVFHNTVEVSWPGP-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000061589188 711839100 /nfs/dbraw/zinc/83/91/00/711839100.db2.gz UWONAIWWLVMUNA-BDAKNGLRSA-N 1 2 217.334 1.423 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2CC(O)C2)s1 ZINC000702676541 712059475 /nfs/dbraw/zinc/05/94/75/712059475.db2.gz JWLJSKLRSFGBEC-UHFFFAOYSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2CC(O)C2)s1 ZINC000702676541 712059476 /nfs/dbraw/zinc/05/94/76/712059476.db2.gz JWLJSKLRSFGBEC-UHFFFAOYSA-N 1 2 241.360 1.303 20 0 BDADLO Nc1ccc(CNC(=O)[C@H]2CC23CC3)c[nH+]1 ZINC000705147524 712122993 /nfs/dbraw/zinc/12/29/93/712122993.db2.gz ZIMDGGXGAFXWRT-SECBINFHSA-N 1 2 217.272 1.080 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)C(F)(F)F)n1 ZINC000705469866 712132163 /nfs/dbraw/zinc/13/21/63/712132163.db2.gz KLGMKRUYWZONQV-LURJTMIESA-N 1 2 237.225 1.920 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCOC1CC1 ZINC000711760355 712326317 /nfs/dbraw/zinc/32/63/17/712326317.db2.gz UMMHSANLLFACNQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCOC1CC1 ZINC000711760355 712326320 /nfs/dbraw/zinc/32/63/20/712326320.db2.gz UMMHSANLLFACNQ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001079323416 712346260 /nfs/dbraw/zinc/34/62/60/712346260.db2.gz PVTMJBJRFHJCSH-PSASIEDQSA-N 1 2 239.344 1.100 20 0 BDADLO CC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001079323416 712346261 /nfs/dbraw/zinc/34/62/61/712346261.db2.gz PVTMJBJRFHJCSH-PSASIEDQSA-N 1 2 239.344 1.100 20 0 BDADLO CC1(C)CN(C(=O)C(F)C(F)(F)F)CC[NH2+]1 ZINC000378863345 712364713 /nfs/dbraw/zinc/36/47/13/712364713.db2.gz VHFMMJYDVDVDFT-ZCFIWIBFSA-N 1 2 242.216 1.097 20 0 BDADLO CC1(C)CN(C(=O)[C@@H](F)C(F)(F)F)CC[NH2+]1 ZINC000378863345 712364714 /nfs/dbraw/zinc/36/47/14/712364714.db2.gz VHFMMJYDVDVDFT-ZCFIWIBFSA-N 1 2 242.216 1.097 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1cc(NC)nc[nH+]1 ZINC000716864209 712579266 /nfs/dbraw/zinc/57/92/66/712579266.db2.gz GRBZLNDFJWFOQR-DTWKUNHWSA-N 1 2 224.308 1.480 20 0 BDADLO C[C@H](CC(=O)O[C@H]1CCSC1)n1cc[nH+]c1 ZINC000845461063 712606900 /nfs/dbraw/zinc/60/69/00/712606900.db2.gz YXUKPRIYEDWHAY-ZJUUUORDSA-N 1 2 240.328 1.883 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000717637172 712665590 /nfs/dbraw/zinc/66/55/90/712665590.db2.gz GAAWTOKASLYLEC-NSHDSACASA-N 1 2 229.320 1.080 20 0 BDADLO CNc1cc(N[C@@H]2CCS[C@H]2C)nc[nH+]1 ZINC000380177010 712706332 /nfs/dbraw/zinc/70/63/32/712706332.db2.gz KHTNYGXCIGHZSX-JGVFFNPUSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@@H]2CCS[C@H]2C)[nH+]cn1 ZINC000380177010 712706334 /nfs/dbraw/zinc/70/63/34/712706334.db2.gz KHTNYGXCIGHZSX-JGVFFNPUSA-N 1 2 224.333 1.824 20 0 BDADLO CC[NH2+]Cc1noc(C2(C)CC(F)(F)C2)n1 ZINC000720425559 712841862 /nfs/dbraw/zinc/84/18/62/712841862.db2.gz SXWOVYJFOBZMTP-UHFFFAOYSA-N 1 2 231.246 1.866 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720789063 712865981 /nfs/dbraw/zinc/86/59/81/712865981.db2.gz OFGKTCPSZNHSNI-GARJFASQSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720789063 712865982 /nfs/dbraw/zinc/86/59/82/712865982.db2.gz OFGKTCPSZNHSNI-GARJFASQSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1nc(F)ccc1C[NH2+]Cc1ccon1 ZINC000381369276 710627688 /nfs/dbraw/zinc/62/76/88/710627688.db2.gz HTRJEYYYYQAEQS-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000381448732 710637269 /nfs/dbraw/zinc/63/72/69/710637269.db2.gz GRGNUBSKRADQJB-SCZZXKLOSA-N 1 2 229.320 1.077 20 0 BDADLO O=C(NC[C@H]1CC[N@H+]1CCF)C1=CCCC1 ZINC001038167839 710676974 /nfs/dbraw/zinc/67/69/74/710676974.db2.gz KJZXZJNRWGQLCX-LLVKDONJSA-N 1 2 226.295 1.257 20 0 BDADLO O=C(NC[C@H]1CC[N@@H+]1CCF)C1=CCCC1 ZINC001038167839 710676975 /nfs/dbraw/zinc/67/69/75/710676975.db2.gz KJZXZJNRWGQLCX-LLVKDONJSA-N 1 2 226.295 1.257 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000380372170 712900292 /nfs/dbraw/zinc/90/02/92/712900292.db2.gz BNKLDNXXNUUUHU-WJHWTWHCSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000380372170 712900293 /nfs/dbraw/zinc/90/02/93/712900293.db2.gz BNKLDNXXNUUUHU-WJHWTWHCSA-N 1 2 227.304 1.215 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)sn2)C1 ZINC001042663506 710796838 /nfs/dbraw/zinc/79/68/38/710796838.db2.gz HJROBULZIAUHHO-UHFFFAOYSA-N 1 2 239.344 1.228 20 0 BDADLO CCc1occc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001042676367 710797206 /nfs/dbraw/zinc/79/72/06/710797206.db2.gz QMWMKPYLGZUESJ-UHFFFAOYSA-N 1 2 236.315 1.618 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2nccs2)C1 ZINC001046085743 710845349 /nfs/dbraw/zinc/84/53/49/710845349.db2.gz DAJOVRSEFAKGHL-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2nccs2)C1 ZINC001046085743 710845351 /nfs/dbraw/zinc/84/53/51/710845351.db2.gz DAJOVRSEFAKGHL-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO C[C@@]1(NC(=O)C2CC2)CC[N@H+](Cc2ccon2)C1 ZINC001046092904 710847697 /nfs/dbraw/zinc/84/76/97/710847697.db2.gz SAJPLVHTHKLEHX-CYBMUJFWSA-N 1 2 249.314 1.165 20 0 BDADLO C[C@@]1(NC(=O)C2CC2)CC[N@@H+](Cc2ccon2)C1 ZINC001046092904 710847698 /nfs/dbraw/zinc/84/76/98/710847698.db2.gz SAJPLVHTHKLEHX-CYBMUJFWSA-N 1 2 249.314 1.165 20 0 BDADLO Cc1nc(N2CC[C@H](NC(=O)C(C)C)C2)cc[nH+]1 ZINC001058280608 710968150 /nfs/dbraw/zinc/96/81/50/710968150.db2.gz OLUAOUBPGQWCJS-NSHDSACASA-N 1 2 248.330 1.136 20 0 BDADLO CC[C@H](Nc1cc(NC)[nH+]cn1)[C@@H](C)O ZINC000386768094 711037200 /nfs/dbraw/zinc/03/72/00/711037200.db2.gz JVIGZJKCXBPXQP-SFYZADRCSA-N 1 2 210.281 1.090 20 0 BDADLO CC[C@H](Nc1cc(NC)nc[nH+]1)[C@@H](C)O ZINC000386768094 711037204 /nfs/dbraw/zinc/03/72/04/711037204.db2.gz JVIGZJKCXBPXQP-SFYZADRCSA-N 1 2 210.281 1.090 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)[C@H](C)O ZINC000386898394 711038210 /nfs/dbraw/zinc/03/82/10/711038210.db2.gz LKGIGOMMMWNIAN-GUBZILKMSA-N 1 2 231.336 1.466 20 0 BDADLO CNc1cc(N[C@@H](C)[C@@H]2CCCOC2)[nH+]cn1 ZINC000388952201 711070615 /nfs/dbraw/zinc/07/06/15/711070615.db2.gz AFPMFPQHFMNFBO-VHSXEESVSA-N 1 2 236.319 1.745 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+]CC1(C)CC1 ZINC000389901674 711097165 /nfs/dbraw/zinc/09/71/65/711097165.db2.gz DOAAMKUJDVGNLO-JTQLQIEISA-N 1 2 213.321 1.964 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000390436321 711116282 /nfs/dbraw/zinc/11/62/82/711116282.db2.gz SIHIAFKYNAIAKM-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1cc([C@@H](C)N[C@H]2CC[N@H+](C)C2)n(C)n1 ZINC000390420786 711116789 /nfs/dbraw/zinc/11/67/89/711116789.db2.gz JNVNKENNPBTMCJ-MNOVXSKESA-N 1 2 222.336 1.083 20 0 BDADLO Cc1cc([C@@H](C)N[C@H]2CC[N@@H+](C)C2)n(C)n1 ZINC000390420786 711116793 /nfs/dbraw/zinc/11/67/93/711116793.db2.gz JNVNKENNPBTMCJ-MNOVXSKESA-N 1 2 222.336 1.083 20 0 BDADLO CCCN1CC[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC000391848205 711140331 /nfs/dbraw/zinc/14/03/31/711140331.db2.gz IDZDFNASHAMGCL-SNVBAGLBSA-N 1 2 240.376 1.420 20 0 BDADLO C[N@@H+]1CC[C@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000393809680 711175709 /nfs/dbraw/zinc/17/57/09/711175709.db2.gz ZLJRKOXVJQQOHU-QWRGUYRKSA-N 1 2 220.320 1.081 20 0 BDADLO C[N@H+]1CC[C@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000393809680 711175713 /nfs/dbraw/zinc/17/57/13/711175713.db2.gz ZLJRKOXVJQQOHU-QWRGUYRKSA-N 1 2 220.320 1.081 20 0 BDADLO Cc1cnn(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000394096774 711183412 /nfs/dbraw/zinc/18/34/12/711183412.db2.gz XLHTYMUYNLKQAR-UHFFFAOYSA-N 1 2 247.327 1.347 20 0 BDADLO C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)c1ccccc1 ZINC000724763668 710745972 /nfs/dbraw/zinc/74/59/72/710745972.db2.gz ZWDHMCNAMJAECZ-SCZZXKLOSA-N 1 2 242.269 1.846 20 0 BDADLO CC(C)CCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900402519 710843339 /nfs/dbraw/zinc/84/33/39/710843339.db2.gz KVTXETUAGWFZAU-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CCC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001056825286 710948763 /nfs/dbraw/zinc/94/87/63/710948763.db2.gz FJFAYLVBBZZCFI-LLVKDONJSA-N 1 2 248.330 1.232 20 0 BDADLO CCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001068990751 711031172 /nfs/dbraw/zinc/03/11/72/711031172.db2.gz WMCHBGRVTSUSEB-GXSJLCMTSA-N 1 2 248.330 1.596 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2nc(C)ccc2O)[nH]1 ZINC000392494009 711149029 /nfs/dbraw/zinc/14/90/29/711149029.db2.gz YVYJALAILHXLKG-MRVPVSSYSA-N 1 2 247.302 1.373 20 0 BDADLO COc1c(C)c[nH+]c(CNCc2cocn2)c1C ZINC000397922324 711396380 /nfs/dbraw/zinc/39/63/80/711396380.db2.gz IJASERALOVHADP-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CC1(C)C[C@H](O)CC[N@H+](Cc2cnsn2)C1 ZINC000399825687 711435425 /nfs/dbraw/zinc/43/54/25/711435425.db2.gz CHRBFPHYQQMAKC-SNVBAGLBSA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[C@H](O)CC[N@@H+](Cc2cnsn2)C1 ZINC000399825687 711435426 /nfs/dbraw/zinc/43/54/26/711435426.db2.gz CHRBFPHYQQMAKC-SNVBAGLBSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]([NH2+]CCCCO)C(=O)OC(C)(C)C ZINC000235209088 711468913 /nfs/dbraw/zinc/46/89/13/711468913.db2.gz ZBLARKQVDCTXLS-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO Cc1cn(C)nc1C[NH2+][C@H](C)c1nccnc1C ZINC000723489926 711513186 /nfs/dbraw/zinc/51/31/86/711513186.db2.gz WAVILAIEDWCXMY-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1cccc(F)c1)C(F)F ZINC000724692416 711609081 /nfs/dbraw/zinc/60/90/81/711609081.db2.gz GFIMVSRTHIPQRD-MRVPVSSYSA-N 1 2 232.205 1.747 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1ccc(F)cc1)C(F)F ZINC000724692558 711609126 /nfs/dbraw/zinc/60/91/26/711609126.db2.gz KFKOFYMBRWNYJN-QMMMGPOBSA-N 1 2 232.205 1.747 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725022818 711643692 /nfs/dbraw/zinc/64/36/92/711643692.db2.gz FCFRBCSFKOSRKF-NSHDSACASA-N 1 2 229.320 1.080 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccc(F)n2)cn1 ZINC000851713707 711686299 /nfs/dbraw/zinc/68/62/99/711686299.db2.gz JPKYSSOTZYXMIB-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccc(F)n2)cn1 ZINC000851713707 711686301 /nfs/dbraw/zinc/68/63/01/711686301.db2.gz JPKYSSOTZYXMIB-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000924031155 711710553 /nfs/dbraw/zinc/71/05/53/711710553.db2.gz ODVYXRGFABFPNF-RHYQMDGZSA-N 1 2 233.315 1.291 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N1CC[C@@H]1C(F)F ZINC000931423095 711711881 /nfs/dbraw/zinc/71/18/81/711711881.db2.gz BDQNETVPAHFFLR-NXEZZACHSA-N 1 2 234.290 1.047 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@H](C3CC3)O2)nc(N)[nH+]1 ZINC000722327365 711737930 /nfs/dbraw/zinc/73/79/30/711737930.db2.gz ADTWAXMMETUTNQ-NXEZZACHSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CC[C@H](C3CC3)O2)[nH+]1 ZINC000722327365 711737932 /nfs/dbraw/zinc/73/79/32/711737932.db2.gz ADTWAXMMETUTNQ-NXEZZACHSA-N 1 2 249.318 1.132 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1CC(=O)c1cccn1C ZINC000398986099 711742779 /nfs/dbraw/zinc/74/27/79/711742779.db2.gz DGRQSKZSFLAIOG-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO C[C@@H]1COCCC[N@H+]1CC(=O)c1cccn1C ZINC000398986099 711742780 /nfs/dbraw/zinc/74/27/80/711742780.db2.gz DGRQSKZSFLAIOG-LLVKDONJSA-N 1 2 236.315 1.319 20 0 BDADLO Cc1nc(N[C@H]2CCN(C(=O)C(C)C)C2)cc[nH+]1 ZINC001058832302 711744483 /nfs/dbraw/zinc/74/44/83/711744483.db2.gz ICWWUBUYOTXZKS-NSHDSACASA-N 1 2 248.330 1.454 20 0 BDADLO FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000722389494 711753025 /nfs/dbraw/zinc/75/30/25/711753025.db2.gz OHQJDUDINDYLFI-IUCAKERBSA-N 1 2 249.236 1.609 20 0 BDADLO CCc1cc(N2C[C@H]3C[C@@]3(O)C2)nc(CC)[nH+]1 ZINC000895155613 711778023 /nfs/dbraw/zinc/77/80/23/711778023.db2.gz GWELOPRCMIXEFV-NOZJJQNGSA-N 1 2 233.315 1.172 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391811 711789011 /nfs/dbraw/zinc/78/90/11/711789011.db2.gz BOWDBMNVIRFZML-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391811 711789012 /nfs/dbraw/zinc/78/90/12/711789012.db2.gz BOWDBMNVIRFZML-UHFFFAOYSA-N 1 2 246.314 1.461 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](O)C2(C)C)s1 ZINC000702683682 711871301 /nfs/dbraw/zinc/87/13/01/711871301.db2.gz CRYDGDXHDJXMLO-QMMMGPOBSA-N 1 2 241.360 1.446 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](O)C2(C)C)s1 ZINC000702683682 711871302 /nfs/dbraw/zinc/87/13/02/711871302.db2.gz CRYDGDXHDJXMLO-QMMMGPOBSA-N 1 2 241.360 1.446 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)c1ccsc1 ZINC001031536249 711877468 /nfs/dbraw/zinc/87/74/68/711877468.db2.gz JCSMIYVFENCGDZ-UHFFFAOYSA-N 1 2 242.319 1.379 20 0 BDADLO CC[C@](C)(CO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000085494513 711935567 /nfs/dbraw/zinc/93/55/67/711935567.db2.gz LBXROYSPACZBBL-JOYOIKCWSA-N 1 2 231.336 1.467 20 0 BDADLO C[N@H+](Cc1scnc1Cl)C(C)(C)CO ZINC000721922161 711937193 /nfs/dbraw/zinc/93/71/93/711937193.db2.gz NTBQASPKALNHFX-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO C[N@@H+](Cc1scnc1Cl)C(C)(C)CO ZINC000721922161 711937196 /nfs/dbraw/zinc/93/71/96/711937196.db2.gz NTBQASPKALNHFX-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001032848085 711963121 /nfs/dbraw/zinc/96/31/21/711963121.db2.gz QJWXBAUGPPTZKS-ZYHUDNBSSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001032848085 711963122 /nfs/dbraw/zinc/96/31/22/711963122.db2.gz QJWXBAUGPPTZKS-ZYHUDNBSSA-N 1 2 248.330 1.090 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CCCCO2)c[nH+]1 ZINC000922549905 711973083 /nfs/dbraw/zinc/97/30/83/711973083.db2.gz ZEJWTFQLVUFTRG-JTQLQIEISA-N 1 2 236.271 1.276 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1C[C@]12CCOC2 ZINC000922612667 711974556 /nfs/dbraw/zinc/97/45/56/711974556.db2.gz BMWZNBRECOBKDD-GWCFXTLKSA-N 1 2 248.282 1.134 20 0 BDADLO c1nn(-c2ccccc2)nc1C[NH2+]C1CSC1 ZINC000702031559 712036676 /nfs/dbraw/zinc/03/66/76/712036676.db2.gz XFZNBOLFSVOSKQ-UHFFFAOYSA-N 1 2 246.339 1.472 20 0 BDADLO O[C@@H](C[NH+]1CC2(C1)CCCO2)c1ccccc1 ZINC000702856714 712061380 /nfs/dbraw/zinc/06/13/80/712061380.db2.gz FCYWMLGPMSGWNI-ZDUSSCGKSA-N 1 2 233.311 1.585 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(N)nn2)[C@H](C)CO1 ZINC000703980933 712097769 /nfs/dbraw/zinc/09/77/69/712097769.db2.gz AXJUHMIBOZCNPC-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(N)nn2)[C@H](C)CO1 ZINC000703980933 712097771 /nfs/dbraw/zinc/09/77/71/712097771.db2.gz AXJUHMIBOZCNPC-MWLCHTKSSA-N 1 2 236.319 1.058 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nn2)[C@H]1C ZINC000706894602 712159744 /nfs/dbraw/zinc/15/97/44/712159744.db2.gz APLFKAGQTJTXEK-SFYZADRCSA-N 1 2 211.696 1.970 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)[C@H]1C ZINC000706894602 712159745 /nfs/dbraw/zinc/15/97/45/712159745.db2.gz APLFKAGQTJTXEK-SFYZADRCSA-N 1 2 211.696 1.970 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC[C@@]1(C)CC ZINC000707346136 712168564 /nfs/dbraw/zinc/16/85/64/712168564.db2.gz YJTAQCVVEMWEGX-KTRBRXNASA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC[C@@]1(C)CC ZINC000707346136 712168566 /nfs/dbraw/zinc/16/85/66/712168566.db2.gz YJTAQCVVEMWEGX-KTRBRXNASA-N 1 2 241.331 1.607 20 0 BDADLO CCOC[C@H]1CCN(c2cc(NC)[nH+]cn2)C1 ZINC000707518073 712171995 /nfs/dbraw/zinc/17/19/95/712171995.db2.gz PBIXEOBWIMZTEF-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CCOC[C@H]1CCN(c2cc(NC)nc[nH+]2)C1 ZINC000707518073 712171997 /nfs/dbraw/zinc/17/19/97/712171997.db2.gz PBIXEOBWIMZTEF-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO Cc1noc(C)c1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000710012210 712240731 /nfs/dbraw/zinc/24/07/31/712240731.db2.gz HGJMEAPGOLPZII-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H](CF)C1 ZINC000711509084 712308221 /nfs/dbraw/zinc/30/82/21/712308221.db2.gz PFPKVQVQGJMKMO-QMMMGPOBSA-N 1 2 240.282 1.253 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H](CF)C1 ZINC000711509084 712308222 /nfs/dbraw/zinc/30/82/22/712308222.db2.gz PFPKVQVQGJMKMO-QMMMGPOBSA-N 1 2 240.282 1.253 20 0 BDADLO COC(C)(C)CCNc1[nH+]cnc2c1cnn2C ZINC000711835869 712333867 /nfs/dbraw/zinc/33/38/67/712333867.db2.gz MUBKKIOPOPVPFT-UHFFFAOYSA-N 1 2 249.318 1.590 20 0 BDADLO CC(C)c1ncn(Cc2ccc(N)[nH+]c2)n1 ZINC000390554202 712420753 /nfs/dbraw/zinc/42/07/53/712420753.db2.gz ZTXOOSBJDQTENV-UHFFFAOYSA-N 1 2 217.276 1.257 20 0 BDADLO CCc1nc(CNC[C@H]2CC[N@@H+]2C)cs1 ZINC000712531041 712441406 /nfs/dbraw/zinc/44/14/06/712441406.db2.gz IOCBOOZXSRMZCO-SNVBAGLBSA-N 1 2 225.361 1.499 20 0 BDADLO CCc1nc(CNC[C@H]2CC[N@H+]2C)cs1 ZINC000712531041 712441408 /nfs/dbraw/zinc/44/14/08/712441408.db2.gz IOCBOOZXSRMZCO-SNVBAGLBSA-N 1 2 225.361 1.499 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795230 712449168 /nfs/dbraw/zinc/44/91/68/712449168.db2.gz IKIIZWDGVYJWBT-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](O)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795230 712449170 /nfs/dbraw/zinc/44/91/70/712449170.db2.gz IKIIZWDGVYJWBT-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ccc(C)nc2)nn1 ZINC000714491781 712492193 /nfs/dbraw/zinc/49/21/93/712492193.db2.gz IPXFIGKIWDMFPF-UHFFFAOYSA-N 1 2 245.330 1.681 20 0 BDADLO CCn1cc(C[NH2+][C@H](CO)c2ccccc2)nn1 ZINC000714876013 712502531 /nfs/dbraw/zinc/50/25/31/712502531.db2.gz MYSGWNSBMATANP-CYBMUJFWSA-N 1 2 246.314 1.121 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cn1 ZINC000715858260 712537252 /nfs/dbraw/zinc/53/72/52/712537252.db2.gz XABFSIBYEVTBOJ-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2cn(C)nn2)cn1 ZINC000715883246 712539913 /nfs/dbraw/zinc/53/99/13/712539913.db2.gz MTDRRDUQFQLODC-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000716485408 712565702 /nfs/dbraw/zinc/56/57/02/712565702.db2.gz NJDFFCRNZQLDKJ-QTKMDUPCSA-N 1 2 245.326 1.572 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)no1 ZINC000716794018 712573980 /nfs/dbraw/zinc/57/39/80/712573980.db2.gz JOPPMZWWNINYOU-LBPRGKRZSA-N 1 2 249.314 1.084 20 0 BDADLO CCCOC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000859080491 712617572 /nfs/dbraw/zinc/61/75/72/712617572.db2.gz LTEWVLHEJBBHQF-JTQLQIEISA-N 1 2 237.303 1.756 20 0 BDADLO Cc1cc(F)ccc1C[NH2+]Cc1cnn(C)n1 ZINC000389828279 712690659 /nfs/dbraw/zinc/69/06/59/712690659.db2.gz VDJYSZCDYYQWFZ-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000719636094 712815191 /nfs/dbraw/zinc/81/51/91/712815191.db2.gz GFTBLUXGDYRQSM-QWRGUYRKSA-N 1 2 237.351 1.041 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720433799 712842550 /nfs/dbraw/zinc/84/25/50/712842550.db2.gz WFBQQCWDFVXAFY-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCO[C@H](C)CC1 ZINC000720433799 712842552 /nfs/dbraw/zinc/84/25/52/712842552.db2.gz WFBQQCWDFVXAFY-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO C[C@@H](C(=O)NCc1ccc(N)[nH+]c1)[C@@H]1CCCO1 ZINC000720608524 712858587 /nfs/dbraw/zinc/85/85/87/712858587.db2.gz BUFTWKYNWZGNIP-KOLCDFICSA-N 1 2 249.314 1.095 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788082 712865578 /nfs/dbraw/zinc/86/55/78/712865578.db2.gz IGDDSVRNTPHMIE-WOPDTQHZSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788082 712865580 /nfs/dbraw/zinc/86/55/80/712865580.db2.gz IGDDSVRNTPHMIE-WOPDTQHZSA-N 1 2 241.331 1.439 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1C[C@H](O)C1 ZINC000720978605 712885228 /nfs/dbraw/zinc/88/52/28/712885228.db2.gz MMRIMACZEXZCQJ-KYZUINATSA-N 1 2 208.261 1.273 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C ZINC000721000225 712886449 /nfs/dbraw/zinc/88/64/49/712886449.db2.gz ZKISBJNAXCMFOO-BBBLOLIVSA-N 1 2 229.320 1.077 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987432 957298887 /nfs/dbraw/zinc/29/88/87/957298887.db2.gz RSMIVDIRWJQRJR-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139987432 957298894 /nfs/dbraw/zinc/29/88/94/957298894.db2.gz RSMIVDIRWJQRJR-JTQLQIEISA-N 1 2 241.722 1.741 20 0 BDADLO Cc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cn1 ZINC000724770014 959430898 /nfs/dbraw/zinc/43/08/98/959430898.db2.gz FJTXKTHOSQXCNC-QMMMGPOBSA-N 1 2 229.230 1.311 20 0 BDADLO CC(C)CNC(=S)N[C@@H](C)Cn1cc[nH+]c1 ZINC000136032148 959960832 /nfs/dbraw/zinc/96/08/32/959960832.db2.gz MHZTZSAQZMPJDH-JTQLQIEISA-N 1 2 240.376 1.392 20 0 BDADLO O[C@H](CNc1cc[nH+]cc1F)c1ccco1 ZINC000309469978 960286241 /nfs/dbraw/zinc/28/62/41/960286241.db2.gz AFRJUCXMZXLQRL-SNVBAGLBSA-N 1 2 222.219 1.959 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ncc2F)C1 ZINC001140605692 960453835 /nfs/dbraw/zinc/45/38/35/960453835.db2.gz INCVQXZUDPSSRR-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO COCC[N@H+](Cc1cc(C)[nH]n1)C(C)C ZINC001203075247 960671825 /nfs/dbraw/zinc/67/18/25/960671825.db2.gz BFFFTYILUAOVJH-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO COCC[N@@H+](Cc1cc(C)[nH]n1)C(C)C ZINC001203075247 960671835 /nfs/dbraw/zinc/67/18/35/960671835.db2.gz BFFFTYILUAOVJH-UHFFFAOYSA-N 1 2 211.309 1.575 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052709893 963515914 /nfs/dbraw/zinc/51/59/14/963515914.db2.gz LSJCVSHQVZKINR-JTQLQIEISA-N 1 2 221.304 1.344 20 0 BDADLO CNc1ncccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052709893 963515921 /nfs/dbraw/zinc/51/59/21/963515921.db2.gz LSJCVSHQVZKINR-JTQLQIEISA-N 1 2 221.304 1.344 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@H]2CCOC2)n1 ZINC000401553305 965497817 /nfs/dbraw/zinc/49/78/17/965497817.db2.gz JNZXFTFQXLMCLG-VIFPVBQESA-N 1 2 225.292 1.148 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1ncc[nH]1 ZINC001203983561 966841942 /nfs/dbraw/zinc/84/19/42/966841942.db2.gz JDPLHIPOVWZSQO-UHFFFAOYSA-N 1 2 219.292 1.128 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1ncc[nH]1 ZINC001203983561 966841945 /nfs/dbraw/zinc/84/19/45/966841945.db2.gz JDPLHIPOVWZSQO-UHFFFAOYSA-N 1 2 219.292 1.128 20 0 BDADLO CCC(F)(F)CNc1cc(NC)[nH+]cn1 ZINC000697967260 968050496 /nfs/dbraw/zinc/05/04/96/968050496.db2.gz FECVEDPWSAKPMG-UHFFFAOYSA-N 1 2 216.235 1.976 20 0 BDADLO CCC(F)(F)CNc1cc(NC)nc[nH+]1 ZINC000697967260 968050506 /nfs/dbraw/zinc/05/05/06/968050506.db2.gz FECVEDPWSAKPMG-UHFFFAOYSA-N 1 2 216.235 1.976 20 0 BDADLO O[C@H](C[N@@H+]1CCCCC12COC2)C(F)(F)F ZINC001250972262 968228608 /nfs/dbraw/zinc/22/86/08/968228608.db2.gz DNTLUGPHIMKTCT-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@H](C[N@H+]1CCCCC12COC2)C(F)(F)F ZINC001250972262 968228618 /nfs/dbraw/zinc/22/86/18/968228618.db2.gz DNTLUGPHIMKTCT-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@@H](C[N@@H+]1CCCCC12COC2)C(F)(F)F ZINC001250972263 968227184 /nfs/dbraw/zinc/22/71/84/968227184.db2.gz DNTLUGPHIMKTCT-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@@H](C[N@H+]1CCCCC12COC2)C(F)(F)F ZINC001250972263 968227193 /nfs/dbraw/zinc/22/71/93/968227193.db2.gz DNTLUGPHIMKTCT-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@H](C)O ZINC001251972605 968414111 /nfs/dbraw/zinc/41/41/11/968414111.db2.gz PCILTJDATCWQLT-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO OCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000164430479 968516274 /nfs/dbraw/zinc/51/62/74/968516274.db2.gz ANFPLQLCAHFPKP-UHFFFAOYSA-N 1 2 213.227 1.389 20 0 BDADLO CC[N@H+](CCCC(=O)OC)Cc1ncccn1 ZINC001207010112 968547334 /nfs/dbraw/zinc/54/73/34/968547334.db2.gz IQYNKIACPIOHSJ-UHFFFAOYSA-N 1 2 237.303 1.252 20 0 BDADLO CC[N@@H+](CCCC(=O)OC)Cc1ncccn1 ZINC001207010112 968547338 /nfs/dbraw/zinc/54/73/38/968547338.db2.gz IQYNKIACPIOHSJ-UHFFFAOYSA-N 1 2 237.303 1.252 20 0 BDADLO CCCC[C@H](O)C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001252095457 968572185 /nfs/dbraw/zinc/57/21/85/968572185.db2.gz XVKCWZLUKRXFIN-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207073897 968603757 /nfs/dbraw/zinc/60/37/57/968603757.db2.gz NIPGGNZDSBKZBV-LLVKDONJSA-N 1 2 222.288 1.398 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207073897 968603766 /nfs/dbraw/zinc/60/37/66/968603766.db2.gz NIPGGNZDSBKZBV-LLVKDONJSA-N 1 2 222.288 1.398 20 0 BDADLO CC[C@H]([NH2+]CC(C)(C)O)C(=O)OC(C)(C)C ZINC001252368656 968647707 /nfs/dbraw/zinc/64/77/07/968647707.db2.gz LIBSKGXNSKJBFZ-VIFPVBQESA-N 1 2 231.336 1.467 20 0 BDADLO CC(C)(O)C[NH2+]CC(F)(F)c1ccccn1 ZINC001252367990 968647819 /nfs/dbraw/zinc/64/78/19/968647819.db2.gz ZHXWYGCOUBRVJV-UHFFFAOYSA-N 1 2 230.258 1.534 20 0 BDADLO COC(C[N@@H+]1CCN(C(C)C)[C@@H](C)C1)OC ZINC001207256512 968695198 /nfs/dbraw/zinc/69/51/98/968695198.db2.gz WWMCCPBKNLOURS-NSHDSACASA-N 1 2 230.352 1.020 20 0 BDADLO COC(C[N@H+]1CCN(C(C)C)[C@@H](C)C1)OC ZINC001207256512 968695205 /nfs/dbraw/zinc/69/52/05/968695205.db2.gz WWMCCPBKNLOURS-NSHDSACASA-N 1 2 230.352 1.020 20 0 BDADLO OC1C[NH+](CCCc2ccccc2F)C1 ZINC001207490328 968803244 /nfs/dbraw/zinc/80/32/44/968803244.db2.gz QDIAZWNCERXMIT-UHFFFAOYSA-N 1 2 209.264 1.435 20 0 BDADLO CCC[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252779746 968952426 /nfs/dbraw/zinc/95/24/26/968952426.db2.gz UEFPPFSDKKGXIN-ONGXEEELSA-N 1 2 224.304 1.708 20 0 BDADLO CCC(=O)C(C)(C)C[NH+]1CC(OC(C)=O)C1 ZINC001208916001 969299622 /nfs/dbraw/zinc/29/96/22/969299622.db2.gz DNODQQJQDNYEBD-UHFFFAOYSA-N 1 2 227.304 1.239 20 0 BDADLO CC1(C)OCC(C[N@H+]2C[C@@H](F)[C@@H](F)C2)CO1 ZINC001209193019 969381117 /nfs/dbraw/zinc/38/11/17/969381117.db2.gz RPDBOVLXTSHRAN-AOOOYVTPSA-N 1 2 235.274 1.377 20 0 BDADLO CC1(C)OCC(C[N@@H+]2C[C@@H](F)[C@@H](F)C2)CO1 ZINC001209193019 969381125 /nfs/dbraw/zinc/38/11/25/969381125.db2.gz RPDBOVLXTSHRAN-AOOOYVTPSA-N 1 2 235.274 1.377 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)ccn1 ZINC001209637756 969568261 /nfs/dbraw/zinc/56/82/61/969568261.db2.gz NWYSVTZWCXDPFF-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)ccn1 ZINC001209637756 969568265 /nfs/dbraw/zinc/56/82/65/969568265.db2.gz NWYSVTZWCXDPFF-KOLCDFICSA-N 1 2 224.279 1.880 20 0 BDADLO COc1cc(Nc2ccnn2C)cc(C)[nH+]1 ZINC001210775989 970027011 /nfs/dbraw/zinc/02/70/11/970027011.db2.gz KLFSEUUNAQUNQW-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1[C@@H]1CCSC1 ZINC001255282596 970038480 /nfs/dbraw/zinc/03/84/80/970038480.db2.gz RQEJMPYPQHALAX-BDAKNGLRSA-N 1 2 237.315 1.584 20 0 BDADLO C[C@@]1(CO)CC(F)(F)C[N@H+]1[C@@H]1CCSC1 ZINC001255282596 970038483 /nfs/dbraw/zinc/03/84/83/970038483.db2.gz RQEJMPYPQHALAX-BDAKNGLRSA-N 1 2 237.315 1.584 20 0 BDADLO FC1(F)C[NH2+]CCN([C@H]2CCSC2)C1 ZINC001255282190 970039199 /nfs/dbraw/zinc/03/91/99/970039199.db2.gz MIPYUOGUEGFQAR-QMMMGPOBSA-N 1 2 222.304 1.032 20 0 BDADLO OC1C[NH+](Cc2cc3ccccc3o2)C1 ZINC000291406162 970167485 /nfs/dbraw/zinc/16/74/85/970167485.db2.gz FVRYXLKQKQPXNE-UHFFFAOYSA-N 1 2 203.241 1.609 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@@H](C)CC(F)(F)F ZINC001255646865 970426911 /nfs/dbraw/zinc/42/69/11/970426911.db2.gz QUSPKGIEJACIFB-ZETCQYMHSA-N 1 2 226.242 1.395 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@@H](C)CC(F)(F)F ZINC001255646865 970426918 /nfs/dbraw/zinc/42/69/18/970426918.db2.gz QUSPKGIEJACIFB-ZETCQYMHSA-N 1 2 226.242 1.395 20 0 BDADLO Cc1nnc2n1CC[N@@H+]([C@H](C)CC(F)(F)F)C2 ZINC001255657218 970439071 /nfs/dbraw/zinc/43/90/71/970439071.db2.gz FYDUHNUBBGFKFQ-SSDOTTSWSA-N 1 2 248.252 1.743 20 0 BDADLO Cc1nnc2n1CC[N@H+]([C@H](C)CC(F)(F)F)C2 ZINC001255657218 970439079 /nfs/dbraw/zinc/43/90/79/970439079.db2.gz FYDUHNUBBGFKFQ-SSDOTTSWSA-N 1 2 248.252 1.743 20 0 BDADLO CC[C@@H]1C[C@@H]([N@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206923 970580527 /nfs/dbraw/zinc/58/05/27/970580527.db2.gz INMDYDBOUGQWBN-WDEREUQCSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H]1C[C@@H]([N@@H+](C)Cc2noc(C)n2)CCO1 ZINC001170206923 970580533 /nfs/dbraw/zinc/58/05/33/970580533.db2.gz INMDYDBOUGQWBN-WDEREUQCSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H]1CC[C@H]([NH+]2CC(F)(CO)C2)C1 ZINC001173272951 975152625 /nfs/dbraw/zinc/15/26/25/975152625.db2.gz LLUNSFOKOLAEBK-UWVGGRQHSA-N 1 2 201.285 1.581 20 0 BDADLO COC(=O)CCCC[C@H](C)[NH+]1CC(F)C1 ZINC001173448062 975390180 /nfs/dbraw/zinc/39/01/80/975390180.db2.gz TWNLBDIFISKAOG-VIFPVBQESA-N 1 2 217.284 1.762 20 0 BDADLO CC(C)(CF)[NH2+]Cc1cc2n(n1)CCC2 ZINC001333307255 975640999 /nfs/dbraw/zinc/64/09/99/975640999.db2.gz KJAYGPQPHIEOCL-UHFFFAOYSA-N 1 2 211.284 1.667 20 0 BDADLO CON(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001334305725 976437989 /nfs/dbraw/zinc/43/79/89/976437989.db2.gz YXJLWTSKHSWTQT-JTQLQIEISA-N 1 2 237.303 1.244 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)CC1CCC1)[C@@H](C)O ZINC001334404174 976494146 /nfs/dbraw/zinc/49/41/46/976494146.db2.gz ZUYUBTLPUBHXGG-KKZNHRDASA-N 1 2 229.320 1.077 20 0 BDADLO Nc1cc(N2CC[C@@]3(CC3(F)F)C2)[nH+]cn1 ZINC001336682710 977854312 /nfs/dbraw/zinc/85/43/12/977854312.db2.gz SQMYKPJBMQKWRR-SECBINFHSA-N 1 2 226.230 1.294 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@H](C)[C@@H]2CC2(F)F)n1 ZINC001336758215 977924806 /nfs/dbraw/zinc/92/48/06/977924806.db2.gz PUCIPDQKQUUXMF-RQJHMYQMSA-N 1 2 246.261 1.084 20 0 BDADLO O[C@H]1C[N@H+](Cc2cnsc2)CC[C@@H]1F ZINC001232224539 977949811 /nfs/dbraw/zinc/94/98/11/977949811.db2.gz LWHQXZVGIJDIOG-IUCAKERBSA-N 1 2 216.281 1.048 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cnsc2)CC[C@@H]1F ZINC001232224539 977949826 /nfs/dbraw/zinc/94/98/26/977949826.db2.gz LWHQXZVGIJDIOG-IUCAKERBSA-N 1 2 216.281 1.048 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC[C@@H](O)C2)s1 ZINC001232243181 977970466 /nfs/dbraw/zinc/97/04/66/977970466.db2.gz SYOOMFSPNIOHRA-SECBINFHSA-N 1 2 227.333 1.193 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC[C@@H](O)C2)s1 ZINC001232243181 977970471 /nfs/dbraw/zinc/97/04/71/977970471.db2.gz SYOOMFSPNIOHRA-SECBINFHSA-N 1 2 227.333 1.193 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(F)c(C)c(F)c1 ZINC001232421103 978057663 /nfs/dbraw/zinc/05/76/63/978057663.db2.gz XLPXXNVVPKRNJR-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(F)c(C)c(F)c1 ZINC001232421103 978057674 /nfs/dbraw/zinc/05/76/74/978057674.db2.gz XLPXXNVVPKRNJR-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO Cc1[nH]c(CN2CC[C@@](O)(C(F)(F)F)C2)c[nH+]1 ZINC001232460396 978094279 /nfs/dbraw/zinc/09/42/79/978094279.db2.gz PHIIEASHRSFOBP-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO Cc1[nH]cc(CN2CC[C@@](O)(C(F)(F)F)C2)[nH+]1 ZINC001232460396 978094288 /nfs/dbraw/zinc/09/42/88/978094288.db2.gz PHIIEASHRSFOBP-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO Cc1[nH]c([C@@H]2CCCN2C(=O)C(F)F)[nH+]c1C ZINC001595990199 978160963 /nfs/dbraw/zinc/16/09/63/978160963.db2.gz UKJGNRALIGDMOW-QMMMGPOBSA-N 1 2 243.257 1.955 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cccc(CF)n1 ZINC001232536294 978164064 /nfs/dbraw/zinc/16/40/64/978164064.db2.gz AMUWEGNFIADMOS-UHFFFAOYSA-N 1 2 239.294 1.071 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cccc(CF)n1 ZINC001232536294 978164074 /nfs/dbraw/zinc/16/40/74/978164074.db2.gz AMUWEGNFIADMOS-UHFFFAOYSA-N 1 2 239.294 1.071 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721929611 978367886 /nfs/dbraw/zinc/36/78/86/978367886.db2.gz OWCLDZWCLZOCON-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cnc1C ZINC001233156413 978476453 /nfs/dbraw/zinc/47/64/53/978476453.db2.gz MRLGHLXPDXSOSH-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1sncc1C ZINC001233322408 978562934 /nfs/dbraw/zinc/56/29/34/978562934.db2.gz CWRUDIXQMGXLNO-QWRGUYRKSA-N 1 2 237.372 1.730 20 0 BDADLO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1sncc1C ZINC001233322408 978562941 /nfs/dbraw/zinc/56/29/41/978562941.db2.gz CWRUDIXQMGXLNO-QWRGUYRKSA-N 1 2 237.372 1.730 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)o1 ZINC001233365145 978574485 /nfs/dbraw/zinc/57/44/85/978574485.db2.gz BDWBMPSAQJFAQK-LSJOCFKGSA-N 1 2 210.252 1.773 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)o1 ZINC001233365145 978574490 /nfs/dbraw/zinc/57/44/90/978574490.db2.gz BDWBMPSAQJFAQK-LSJOCFKGSA-N 1 2 210.252 1.773 20 0 BDADLO CCCn1c[nH+]cc1CN1CCO[C@H](C)C1 ZINC001180368501 978876437 /nfs/dbraw/zinc/87/64/37/978876437.db2.gz MUJOOZUWIMDRPE-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO C[C@@H](O)C(C)(C)CNc1cc(N(C)C)nc[nH+]1 ZINC001339869116 978929091 /nfs/dbraw/zinc/92/90/91/978929091.db2.gz LWNADRONMIWFFM-SECBINFHSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@@H](O)C(C)(C)CNc1cc(N(C)C)[nH+]cn1 ZINC001339869116 978929098 /nfs/dbraw/zinc/92/90/98/978929098.db2.gz LWNADRONMIWFFM-SECBINFHSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@H](C1CC1)N(C(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC001339925217 978942461 /nfs/dbraw/zinc/94/24/61/978942461.db2.gz GDJKYZAJXPALDT-XCBNKYQSSA-N 1 2 246.301 1.758 20 0 BDADLO COc1ncc(C[NH+]2CC3(CSC3)C2)cn1 ZINC001206432492 978949699 /nfs/dbraw/zinc/94/96/99/978949699.db2.gz LWUGGQLHMBWBQN-UHFFFAOYSA-N 1 2 237.328 1.034 20 0 BDADLO COCC[N@H+](C)Cc1cncc(F)c1Cl ZINC001235493145 979054868 /nfs/dbraw/zinc/05/48/68/979054868.db2.gz SNUHMYVTEVHGJO-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COCC[N@@H+](C)Cc1cncc(F)c1Cl ZINC001235493145 979054876 /nfs/dbraw/zinc/05/48/76/979054876.db2.gz SNUHMYVTEVHGJO-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@H]2C[C@@]2(F)Cl)c1 ZINC001181668270 979239277 /nfs/dbraw/zinc/23/92/77/979239277.db2.gz OVSJAAQPEDHXMN-SCZZXKLOSA-N 1 2 245.685 1.003 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nonc1C ZINC001181992945 979400070 /nfs/dbraw/zinc/40/00/70/979400070.db2.gz JXIAPMWDNGQUQS-SECBINFHSA-N 1 2 238.291 1.191 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nonc1C ZINC001181992945 979400082 /nfs/dbraw/zinc/40/00/82/979400082.db2.gz JXIAPMWDNGQUQS-SECBINFHSA-N 1 2 238.291 1.191 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603868435 979535101 /nfs/dbraw/zinc/53/51/01/979535101.db2.gz CFSBXGVCJGVXKA-GHMZBOCLSA-N 1 2 228.336 1.170 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603868435 979535109 /nfs/dbraw/zinc/53/51/09/979535109.db2.gz CFSBXGVCJGVXKA-GHMZBOCLSA-N 1 2 228.336 1.170 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC1(C)C)n1cc[nH+]c1 ZINC001341969148 979607651 /nfs/dbraw/zinc/60/76/51/979607651.db2.gz MCKTZTUXUHHZSN-ZJUUUORDSA-N 1 2 221.304 1.749 20 0 BDADLO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)[O-])co1 ZINC001604333488 979620099 /nfs/dbraw/zinc/62/00/99/979620099.db2.gz WOERRYZZVPPVRR-SCZZXKLOSA-N 1 2 240.303 1.612 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccnc2Cl)CC[C@@H]1O ZINC001236611938 979677797 /nfs/dbraw/zinc/67/77/97/979677797.db2.gz BDNDPOWSMSKAEN-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccnc2Cl)CC[C@@H]1O ZINC001236611938 979677802 /nfs/dbraw/zinc/67/78/02/979677802.db2.gz BDNDPOWSMSKAEN-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO Cc1cc(Cl)cc(C[NH+]2CC(CO)C2)n1 ZINC001236638063 979686175 /nfs/dbraw/zinc/68/61/75/979686175.db2.gz FWLDTYIIBDSKRT-UHFFFAOYSA-N 1 2 226.707 1.468 20 0 BDADLO C[C@H]([NH3+])C[N@H+](C)Cc1sccc1C(=O)[O-] ZINC001236900280 979786640 /nfs/dbraw/zinc/78/66/40/979786640.db2.gz RQWSJKJTZWDTAM-ZETCQYMHSA-N 1 2 228.317 1.225 20 0 BDADLO C[C@H]([NH3+])C[N@@H+](C)Cc1sccc1C(=O)[O-] ZINC001236900280 979786644 /nfs/dbraw/zinc/78/66/44/979786644.db2.gz RQWSJKJTZWDTAM-ZETCQYMHSA-N 1 2 228.317 1.225 20 0 BDADLO CC1(CC(=O)NCCn2cc[nH+]c2)CCC1 ZINC001185092005 980168529 /nfs/dbraw/zinc/16/85/29/980168529.db2.gz SDAAGWSWFGQKGJ-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO COCC[N@H+](C)Cc1cc(OC)ncc1Cl ZINC001238359326 980243968 /nfs/dbraw/zinc/24/39/68/980243968.db2.gz FRGNEVFAXOLFEZ-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO COCC[N@@H+](C)Cc1cc(OC)ncc1Cl ZINC001238359326 980243988 /nfs/dbraw/zinc/24/39/88/980243988.db2.gz FRGNEVFAXOLFEZ-UHFFFAOYSA-N 1 2 244.722 1.822 20 0 BDADLO CCCNc1cc(N[C@@H](CO)C(C)C)[nH+]cn1 ZINC000156832907 980798371 /nfs/dbraw/zinc/79/83/71/980798371.db2.gz ZOCDNPCOZMCIBZ-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO CC(C)SCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001346802979 980911969 /nfs/dbraw/zinc/91/19/69/980911969.db2.gz ZLFYKHSGUSMOEO-SNVBAGLBSA-N 1 2 241.360 1.702 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc[nH]2)CC(C)(C)C1 ZINC001347114640 980976186 /nfs/dbraw/zinc/97/61/86/980976186.db2.gz VHXRSXPIBFDRJD-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc[nH]2)CC(C)(C)C1 ZINC001347114640 980976190 /nfs/dbraw/zinc/97/61/90/980976190.db2.gz VHXRSXPIBFDRJD-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[S@](=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC001348361019 981344360 /nfs/dbraw/zinc/34/43/60/981344360.db2.gz ZXNVFSXDCUFJQY-FTGAXOIBSA-N 1 2 224.329 1.793 20 0 BDADLO CCNC(=S)Nc1cccc2[nH+]ccn21 ZINC001195299451 982179851 /nfs/dbraw/zinc/17/98/51/982179851.db2.gz BGTDNAJVVMJQBH-UHFFFAOYSA-N 1 2 220.301 1.641 20 0 BDADLO CC(C)c1ocnc1C[N@@H+]1CC=C[C@@H]1CO ZINC001352950888 982646247 /nfs/dbraw/zinc/64/62/47/982646247.db2.gz TXKBSKQCZBRZNV-SNVBAGLBSA-N 1 2 222.288 1.531 20 0 BDADLO CC(C)c1ocnc1C[N@H+]1CC=C[C@@H]1CO ZINC001352950888 982646260 /nfs/dbraw/zinc/64/62/60/982646260.db2.gz TXKBSKQCZBRZNV-SNVBAGLBSA-N 1 2 222.288 1.531 20 0 BDADLO CN(Cc1nccs1)C(=O)Cc1c[nH+]c[nH]1 ZINC001353887867 983054478 /nfs/dbraw/zinc/05/44/78/983054478.db2.gz RNWVAARXZMSZBO-UHFFFAOYSA-N 1 2 236.300 1.067 20 0 BDADLO O=C1CCC[N@@H+](C[C@@H]2CCOC2)C[C@H]1F ZINC001202463684 983671925 /nfs/dbraw/zinc/67/19/25/983671925.db2.gz CPLVCVQVDZUZBY-VHSXEESVSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[N@H+](C[C@@H]2CCOC2)C[C@H]1F ZINC001202463684 983671931 /nfs/dbraw/zinc/67/19/31/983671931.db2.gz CPLVCVQVDZUZBY-VHSXEESVSA-N 1 2 215.268 1.026 20 0 BDADLO Cc1cc(-c2cnc(C)c(N)c2)c[nH+]c1N ZINC001242411626 983721155 /nfs/dbraw/zinc/72/11/55/983721155.db2.gz JPMBTSBQGBGJIR-UHFFFAOYSA-N 1 2 214.272 1.925 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)OCc1c[nH+]cn1C ZINC001357818288 983780251 /nfs/dbraw/zinc/78/02/51/983780251.db2.gz DKIZKZMNUMVSMA-MNOVXSKESA-N 1 2 238.287 1.278 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001172415928 974684739 /nfs/dbraw/zinc/68/47/39/974684739.db2.gz BYYFLKHWHLJGQA-SNVBAGLBSA-N 1 2 221.304 1.607 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1Cc2cncnc2C1 ZINC001172415928 974684744 /nfs/dbraw/zinc/68/47/44/974684744.db2.gz BYYFLKHWHLJGQA-SNVBAGLBSA-N 1 2 221.304 1.607 20 0 BDADLO C[C@H]1OCC[C@H]1COCc1c[nH+]cn1C ZINC001222585427 972588758 /nfs/dbraw/zinc/58/87/58/972588758.db2.gz IQGUDTYFSYFJPT-ZJUUUORDSA-N 1 2 210.277 1.362 20 0 BDADLO C[C@H](OCc1c[nH+]cn1C)c1ncccn1 ZINC001222587319 972588792 /nfs/dbraw/zinc/58/87/92/972588792.db2.gz RKKOEJGUQZQNGG-VIFPVBQESA-N 1 2 218.260 1.488 20 0 BDADLO CCC(CC)[N@H+](CCOC)Cc1nnc[nH]1 ZINC001327546946 972624722 /nfs/dbraw/zinc/62/47/22/972624722.db2.gz OFRZHYKIKAWMQQ-UHFFFAOYSA-N 1 2 226.324 1.442 20 0 BDADLO CCC(CC)[N@@H+](CCOC)Cc1nnc[nH]1 ZINC001327546946 972624727 /nfs/dbraw/zinc/62/47/27/972624727.db2.gz OFRZHYKIKAWMQQ-UHFFFAOYSA-N 1 2 226.324 1.442 20 0 BDADLO C[C@H](C(=O)NCC[C@@H]1CC1(F)F)n1cc[nH+]c1 ZINC001328595171 973183542 /nfs/dbraw/zinc/18/35/42/973183542.db2.gz PVUVDEQIWXECMG-RKDXNWHRSA-N 1 2 243.257 1.606 20 0 BDADLO CC(C)CC[C@@H](C)[NH+]1CC(S(C)(=O)=O)C1 ZINC001256370614 970778127 /nfs/dbraw/zinc/77/81/27/970778127.db2.gz KCTKPCKKRTXJKF-SNVBAGLBSA-N 1 2 233.377 1.540 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccccn2)CCO1 ZINC001256423111 970830942 /nfs/dbraw/zinc/83/09/42/970830942.db2.gz DPZQFQCKRKFPCW-RISCZKNCSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccccn2)CCO1 ZINC001256423111 970830949 /nfs/dbraw/zinc/83/09/49/970830949.db2.gz DPZQFQCKRKFPCW-RISCZKNCSA-N 1 2 248.326 1.302 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001256619239 970884467 /nfs/dbraw/zinc/88/44/67/970884467.db2.gz WHQPDDGCPDQNGV-JGVFFNPUSA-N 1 2 204.233 1.438 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329619577 973846796 /nfs/dbraw/zinc/84/67/96/973846796.db2.gz DWZOMNFAOHTUSZ-SNVBAGLBSA-N 1 2 223.320 1.995 20 0 BDADLO CNc1cc(Nc2cc(=O)[nH]c(OC)n2)cc[nH+]1 ZINC001216333464 971043625 /nfs/dbraw/zinc/04/36/25/971043625.db2.gz ZCEQWVRZDGFICC-UHFFFAOYSA-N 1 2 247.258 1.371 20 0 BDADLO COC(=O)CC1CCC([NH+]2CC(F)C2)CC1 ZINC001256982540 971057735 /nfs/dbraw/zinc/05/77/35/971057735.db2.gz TXFXNKKLLIQMAW-UHFFFAOYSA-N 1 2 229.295 1.762 20 0 BDADLO C[C@]1(F)CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001170547625 971148693 /nfs/dbraw/zinc/14/86/93/971148693.db2.gz AZBWLNDZGRNBPB-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO C[C@]1(F)CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001170547625 971148700 /nfs/dbraw/zinc/14/87/00/971148700.db2.gz AZBWLNDZGRNBPB-QWRGUYRKSA-N 1 2 249.351 1.245 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2CCc3cccnc32)nn1 ZINC000404473460 971167707 /nfs/dbraw/zinc/16/77/07/971167707.db2.gz NSQZSOYIBKTRBN-GFCCVEGCSA-N 1 2 243.314 1.470 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+](C)Cc1ccns1 ZINC000404600120 971176111 /nfs/dbraw/zinc/17/61/11/971176111.db2.gz HOKGHRYPZMOQFU-UITAMQMPSA-N 1 2 240.328 1.694 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+](C)Cc1ccns1 ZINC000404600120 971176117 /nfs/dbraw/zinc/17/61/17/971176117.db2.gz HOKGHRYPZMOQFU-UITAMQMPSA-N 1 2 240.328 1.694 20 0 BDADLO CC[C@@H](C)[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001257437947 971348415 /nfs/dbraw/zinc/34/84/15/971348415.db2.gz OSMFTMFZCHTZML-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](C)[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001257437947 971348420 /nfs/dbraw/zinc/34/84/20/971348420.db2.gz OSMFTMFZCHTZML-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1nnc([C@@H]2[NH2+]CCc3ccccc32)o1 ZINC001217719714 971357968 /nfs/dbraw/zinc/35/79/68/971357968.db2.gz CNSOYLFIYLBTAW-LLVKDONJSA-N 1 2 215.256 1.613 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc([C@H]([NH3+])c2ccc(O)cc2)o1 ZINC001217737318 971376404 /nfs/dbraw/zinc/37/64/04/971376404.db2.gz WDJMTSPTRVOQTP-PPKCKEKNSA-N 1 2 245.282 1.947 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCCC1 ZINC001257458845 971377757 /nfs/dbraw/zinc/37/77/57/971377757.db2.gz DMHQEQKYZCLKGA-TXEJJXNPSA-N 1 2 223.316 1.751 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCCC1 ZINC001257458845 971377761 /nfs/dbraw/zinc/37/77/61/971377761.db2.gz DMHQEQKYZCLKGA-TXEJJXNPSA-N 1 2 223.316 1.751 20 0 BDADLO CS(=O)(=O)C1C[NH+](C2CCCCC2)C1 ZINC001257460349 971381954 /nfs/dbraw/zinc/38/19/54/971381954.db2.gz ZSZHXLKQEJMWSY-UHFFFAOYSA-N 1 2 217.334 1.048 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1[C@@H]1CCCSC1 ZINC001257667470 971465566 /nfs/dbraw/zinc/46/55/66/971465566.db2.gz DGCFGJSCJMFUJW-BDAKNGLRSA-N 1 2 237.315 1.584 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1[C@@H]1CCCSC1 ZINC001257667470 971465571 /nfs/dbraw/zinc/46/55/71/971465571.db2.gz DGCFGJSCJMFUJW-BDAKNGLRSA-N 1 2 237.315 1.584 20 0 BDADLO CO[C@@H](C)CNc1nc(C)[nH+]c2c1CCC2 ZINC001158807921 971467761 /nfs/dbraw/zinc/46/77/61/971467761.db2.gz ASKLVBGEXFVELN-QMMMGPOBSA-N 1 2 221.304 1.721 20 0 BDADLO COc1ccc(-c2ccc[nH+]c2N)cc1N ZINC001244897273 971483951 /nfs/dbraw/zinc/48/39/51/971483951.db2.gz AFGVGWZMVWGAFZ-UHFFFAOYSA-N 1 2 215.256 1.922 20 0 BDADLO C[C@@H]1C[C@@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001257937317 971544196 /nfs/dbraw/zinc/54/41/96/971544196.db2.gz JNXWOUZHCXNDOI-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO OCc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218012225 971568471 /nfs/dbraw/zinc/56/84/71/971568471.db2.gz IHGBVBMNRZDGSO-NSHDSACASA-N 1 2 243.253 1.555 20 0 BDADLO Cc1cc(C)nc(O[C@H]2C[NH2+]CC2(F)F)c1 ZINC001218232211 971641827 /nfs/dbraw/zinc/64/18/27/971641827.db2.gz BMOPCLQPMYVQLE-VIFPVBQESA-N 1 2 228.242 1.684 20 0 BDADLO C[C@@H](c1nc([C@]2(C)CCCO2)no1)n1cc[nH+]c1 ZINC001324702760 971720111 /nfs/dbraw/zinc/72/01/11/971720111.db2.gz JPQPMDYYEKCRDS-CABZTGNLSA-N 1 2 248.286 1.901 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(O[C@H]2C[C@H](O)C2)cc1 ZINC001218363991 971745774 /nfs/dbraw/zinc/74/57/74/971745774.db2.gz OGOHVXYQKMTRGX-AULYBMBSSA-N 1 2 244.294 1.989 20 0 BDADLO O=C1CCC[N@@H+](CCCCCO)C[C@@H]1F ZINC001206082307 971820588 /nfs/dbraw/zinc/82/05/88/971820588.db2.gz WLFWWCLTSBZNQE-JTQLQIEISA-N 1 2 217.284 1.152 20 0 BDADLO O=C1CCC[N@H+](CCCCCO)C[C@@H]1F ZINC001206082307 971820591 /nfs/dbraw/zinc/82/05/91/971820591.db2.gz WLFWWCLTSBZNQE-JTQLQIEISA-N 1 2 217.284 1.152 20 0 BDADLO CC[C@H](C)OCC[C@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001172322983 974532636 /nfs/dbraw/zinc/53/26/36/974532636.db2.gz ZPAQWZAPIIMTLH-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO COc1ncnc(C)c1-c1c[nH+]c(N)c(C)c1 ZINC001245539057 971855019 /nfs/dbraw/zinc/85/50/19/971855019.db2.gz QEGZGKGRBGKSGV-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO OC1(C(F)(F)F)C[NH+]([C@H]2CCCOCC2)C1 ZINC001170810192 971874989 /nfs/dbraw/zinc/87/49/89/971874989.db2.gz YCGVXBYOBGOYPF-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO CC1(C)C[C@@H]([NH+]2CC3(C2)CC(F)(F)CO3)CO1 ZINC001172288799 974555802 /nfs/dbraw/zinc/55/58/02/974555802.db2.gz KWZJGVDWGDHRCJ-SECBINFHSA-N 1 2 247.285 1.664 20 0 BDADLO O=C(Nc1ccc(C2CCC2)nc1)C1(F)C[NH2+]C1 ZINC001218739448 971929494 /nfs/dbraw/zinc/92/94/94/971929494.db2.gz ZXJVYRPCRGJITG-UHFFFAOYSA-N 1 2 249.289 1.599 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1nnnn1C ZINC000189818024 972010991 /nfs/dbraw/zinc/01/09/91/972010991.db2.gz FKKMXLXATRKICY-DTWKUNHWSA-N 1 2 232.291 1.017 20 0 BDADLO c1c[nH]c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000190579798 972033934 /nfs/dbraw/zinc/03/39/34/972033934.db2.gz ZUCXOPSIDBVFTN-UHFFFAOYSA-N 1 2 243.314 1.127 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CC12CCC2)n1cc[nH+]c1 ZINC001329917050 972111068 /nfs/dbraw/zinc/11/10/68/972111068.db2.gz WFLKITSZASYCSE-VHSXEESVSA-N 1 2 219.288 1.503 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)[C@@H](C)O ZINC001172363666 974636715 /nfs/dbraw/zinc/63/67/15/974636715.db2.gz NBQKIPKEPMTKNT-LZQZFOIKSA-N 1 2 243.347 1.323 20 0 BDADLO CC1(C[N@H+]2Cc3cncnc3C2)CCOCC1 ZINC001207963505 956897863 /nfs/dbraw/zinc/89/78/63/956897863.db2.gz JSZWRUHQASVMQL-UHFFFAOYSA-N 1 2 233.315 1.609 20 0 BDADLO CC1(C[N@@H+]2Cc3cncnc3C2)CCOCC1 ZINC001207963505 956897853 /nfs/dbraw/zinc/89/78/53/956897853.db2.gz JSZWRUHQASVMQL-UHFFFAOYSA-N 1 2 233.315 1.609 20 0 BDADLO C[C@@H]1C[C@@H](C[N@@H+]2CCC(=O)C2)C[C@H](C)O1 ZINC000724473894 957013702 /nfs/dbraw/zinc/01/37/02/957013702.db2.gz FYFNPGSVIGXPKA-JGPRNRPPSA-N 1 2 211.305 1.465 20 0 BDADLO C[C@@H]1C[C@@H](C[N@H+]2CCC(=O)C2)C[C@H](C)O1 ZINC000724473894 957013715 /nfs/dbraw/zinc/01/37/15/957013715.db2.gz FYFNPGSVIGXPKA-JGPRNRPPSA-N 1 2 211.305 1.465 20 0 BDADLO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCOC(=O)C2)CC1 ZINC001208166926 957049134 /nfs/dbraw/zinc/04/91/34/957049134.db2.gz CVNURKUUZFYJKF-VXGBXAGGSA-N 1 2 223.316 1.838 20 0 BDADLO CC1=C[C@@H](C)[C@@H](C[N@H+]2CCOC(=O)C2)CC1 ZINC001208166926 957049147 /nfs/dbraw/zinc/04/91/47/957049147.db2.gz CVNURKUUZFYJKF-VXGBXAGGSA-N 1 2 223.316 1.838 20 0 BDADLO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC001171018439 972246690 /nfs/dbraw/zinc/24/66/90/972246690.db2.gz NUYXKSLQTIHJNS-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnnc1 ZINC001139984802 957296833 /nfs/dbraw/zinc/29/68/33/957296833.db2.gz AQQPJDKIJFCALO-GFCCVEGCSA-N 1 2 219.288 1.420 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccnnc1 ZINC001139984802 957296843 /nfs/dbraw/zinc/29/68/43/957296843.db2.gz AQQPJDKIJFCALO-GFCCVEGCSA-N 1 2 219.288 1.420 20 0 BDADLO COCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001209048644 957303710 /nfs/dbraw/zinc/30/37/10/957303710.db2.gz MMZBCBXOOFRILP-SECBINFHSA-N 1 2 203.257 1.026 20 0 BDADLO COCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001209048644 957303717 /nfs/dbraw/zinc/30/37/17/957303717.db2.gz MMZBCBXOOFRILP-SECBINFHSA-N 1 2 203.257 1.026 20 0 BDADLO CCCc1cc(NC(=O)[C@H]2CC[N@@H+]2CC)n[nH]1 ZINC001136840292 972272698 /nfs/dbraw/zinc/27/26/98/972272698.db2.gz KELYHMVJPUJKDB-SNVBAGLBSA-N 1 2 236.319 1.395 20 0 BDADLO CCCc1cc(NC(=O)[C@H]2CC[N@H+]2CC)n[nH]1 ZINC001136840292 972272703 /nfs/dbraw/zinc/27/27/03/972272703.db2.gz KELYHMVJPUJKDB-SNVBAGLBSA-N 1 2 236.319 1.395 20 0 BDADLO CC[C@@H](C)[C@H](C)OCC[NH+]1CCOCC1 ZINC001210208135 957670427 /nfs/dbraw/zinc/67/04/27/957670427.db2.gz ROJYAGURYBFEMZ-NEPJUHHUSA-N 1 2 215.337 1.770 20 0 BDADLO O=C1CCC[C@]2(CCC[N@H+](Cc3cnc[nH]3)C2)N1 ZINC001136868791 972282874 /nfs/dbraw/zinc/28/28/74/972282874.db2.gz SFJKLSLYVFBIKM-CYBMUJFWSA-N 1 2 248.330 1.044 20 0 BDADLO O=C1CCC[C@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)N1 ZINC001136868791 972282876 /nfs/dbraw/zinc/28/28/76/972282876.db2.gz SFJKLSLYVFBIKM-CYBMUJFWSA-N 1 2 248.330 1.044 20 0 BDADLO c1ncc(C[NH+]2CCC(c3ncccn3)CC2)[nH]1 ZINC001136871470 972288632 /nfs/dbraw/zinc/28/86/32/972288632.db2.gz MBEPEOLRPMYSCD-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO CC1(C)c2c[nH+]c(NC3CC(=O)C3)cc2NC1=O ZINC001167335746 957793040 /nfs/dbraw/zinc/79/30/40/957793040.db2.gz GKXVFAYVRVLKKF-UHFFFAOYSA-N 1 2 245.282 1.455 20 0 BDADLO FC1(F)C[NH2+]CCN(CC2CCCC2)C1 ZINC001210815575 957909544 /nfs/dbraw/zinc/90/95/44/957909544.db2.gz WFQPXTBNIGBFFU-UHFFFAOYSA-N 1 2 218.291 1.717 20 0 BDADLO O=c1cccc(C[NH+]2CC(C(F)F)C2)[nH]1 ZINC001207074825 957922665 /nfs/dbraw/zinc/92/26/65/957922665.db2.gz PHUKGMLUTIPKHM-UHFFFAOYSA-N 1 2 214.215 1.484 20 0 BDADLO Cc1cccn2c(CN(C)C3COC3)c[nH+]c12 ZINC001136964410 972306302 /nfs/dbraw/zinc/30/63/02/972306302.db2.gz PCIAIGBZJNWWJW-UHFFFAOYSA-N 1 2 231.299 1.473 20 0 BDADLO Cc1cccn2c(CN3CCC(=O)CC3)c[nH+]c12 ZINC001136958173 972304812 /nfs/dbraw/zinc/30/48/12/972304812.db2.gz CFYTXPMJYKRTEY-UHFFFAOYSA-N 1 2 243.310 1.808 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001137564499 957949104 /nfs/dbraw/zinc/94/91/04/957949104.db2.gz MMLVQJBKZOYRQK-UKKRHICBSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001137564499 957949111 /nfs/dbraw/zinc/94/91/11/957949111.db2.gz MMLVQJBKZOYRQK-UKKRHICBSA-N 1 2 249.314 1.197 20 0 BDADLO CC[C@](C)([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000086799498 957992997 /nfs/dbraw/zinc/99/29/97/957992997.db2.gz CIRDHDDVMOLFHD-NSHDSACASA-N 1 2 225.292 1.116 20 0 BDADLO C[NH2+]CCC[N@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000087471996 958013339 /nfs/dbraw/zinc/01/33/39/958013339.db2.gz XQEAVELSNXHNSW-UHFFFAOYSA-N 1 2 226.276 1.019 20 0 BDADLO C[NH2+]CCC[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000087471996 958013351 /nfs/dbraw/zinc/01/33/51/958013351.db2.gz XQEAVELSNXHNSW-UHFFFAOYSA-N 1 2 226.276 1.019 20 0 BDADLO Cc1cccc(C2(NC(=O)C3(F)C[NH2+]C3)CC2)c1 ZINC001221328325 972316878 /nfs/dbraw/zinc/31/68/78/972316878.db2.gz GHFPEPBDFFSDGR-UHFFFAOYSA-N 1 2 248.301 1.412 20 0 BDADLO C[C@H](C(=O)N1CC[C@H]1C(F)(F)F)n1cc[nH+]c1 ZINC001347784507 958137501 /nfs/dbraw/zinc/13/75/01/958137501.db2.gz JJLXOWCMPRILAL-SFYZADRCSA-N 1 2 247.220 1.607 20 0 BDADLO [NH3+]CCCCNC(=O)c1cc(F)c(O)cc1F ZINC001221346509 972323694 /nfs/dbraw/zinc/32/36/94/972323694.db2.gz JSSRRVMKUJVWHC-UHFFFAOYSA-N 1 2 244.241 1.139 20 0 BDADLO COC(=[NH2+])c1cccc(NC2CN(C(C)=O)C2)c1 ZINC001171080004 972326742 /nfs/dbraw/zinc/32/67/42/972326742.db2.gz LKSTYECREWNUSW-UHFFFAOYSA-N 1 2 247.298 1.301 20 0 BDADLO Cc1nccc(C[N@@H+]2CCCC23COC3)n1 ZINC001207166765 958283498 /nfs/dbraw/zinc/28/34/98/958283498.db2.gz ZADINBHTEUEQKC-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1nccc(C[N@H+]2CCCC23COC3)n1 ZINC001207166765 958283516 /nfs/dbraw/zinc/28/35/16/958283516.db2.gz ZADINBHTEUEQKC-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2CC2CC2)on1 ZINC000933210980 958295770 /nfs/dbraw/zinc/29/57/70/958295770.db2.gz HKZVJEGYGFFCMK-LLVKDONJSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2CC2CC2)on1 ZINC000933210980 958295788 /nfs/dbraw/zinc/29/57/88/958295788.db2.gz HKZVJEGYGFFCMK-LLVKDONJSA-N 1 2 222.288 1.676 20 0 BDADLO COc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)cn1 ZINC001137031939 972335946 /nfs/dbraw/zinc/33/59/46/972335946.db2.gz RCSBTKZRNDRYCN-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)cn1 ZINC001137031939 972335951 /nfs/dbraw/zinc/33/59/51/972335951.db2.gz RCSBTKZRNDRYCN-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140469426 958538682 /nfs/dbraw/zinc/53/86/82/958538682.db2.gz OSFKXGAQRVRTPQ-NXEZZACHSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140469426 958538704 /nfs/dbraw/zinc/53/87/04/958538704.db2.gz OSFKXGAQRVRTPQ-NXEZZACHSA-N 1 2 249.314 1.510 20 0 BDADLO C[C@@H](OCCn1cc[nH+]c1)c1cncnc1 ZINC001222134200 972380159 /nfs/dbraw/zinc/38/01/59/972380159.db2.gz BQHXHOWYWCWCAL-SNVBAGLBSA-N 1 2 218.260 1.451 20 0 BDADLO C[C@H](OCCn1cc[nH+]c1)C1CCOCC1 ZINC001222134951 972380276 /nfs/dbraw/zinc/38/02/76/972380276.db2.gz SXNGWFNPBNCDTF-NSHDSACASA-N 1 2 224.304 1.715 20 0 BDADLO C[S@](=O)CC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724380996 958832037 /nfs/dbraw/zinc/83/20/37/958832037.db2.gz JXWZOXPAJGPFNE-INIZCTEOSA-N 1 2 244.360 1.440 20 0 BDADLO COC(=O)[C@@H]1CC[C@H](OCCn2cc[nH+]c2)C1 ZINC001222134822 972381261 /nfs/dbraw/zinc/38/12/61/972381261.db2.gz PFHVPNRHELLWCP-MNOVXSKESA-N 1 2 238.287 1.241 20 0 BDADLO CCCCOC(=O)[C@@H](C)OCCn1cc[nH+]c1 ZINC001222134916 972384934 /nfs/dbraw/zinc/38/49/34/972384934.db2.gz RVYFIBLNXBRPCN-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO C[C@@H]1COCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222139943 972388616 /nfs/dbraw/zinc/38/86/16/972388616.db2.gz YXXOPYFPWCWKBD-MNOVXSKESA-N 1 2 210.277 1.325 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1C/C=C\Cl ZINC000588527580 958955509 /nfs/dbraw/zinc/95/55/09/958955509.db2.gz ZAZBYDDDZYVOJC-OAQKJQOQSA-N 1 2 217.696 1.766 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1C/C=C\Cl ZINC000588527580 958955525 /nfs/dbraw/zinc/95/55/25/958955525.db2.gz ZAZBYDDDZYVOJC-OAQKJQOQSA-N 1 2 217.696 1.766 20 0 BDADLO CCO/C=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001167598355 959013779 /nfs/dbraw/zinc/01/37/79/959013779.db2.gz SGMCEAGVJKCROM-YVMONPNESA-N 1 2 231.255 1.823 20 0 BDADLO Cc1[nH+]c[nH]c1CN1Cc2ncsc2C1 ZINC001204593906 959017556 /nfs/dbraw/zinc/01/75/56/959017556.db2.gz IBSGVFBVMXOBHH-UHFFFAOYSA-N 1 2 220.301 1.690 20 0 BDADLO CC(C)(CNc1ccc2c([nH+]1)CCOC2)C(N)=O ZINC001167601654 959028919 /nfs/dbraw/zinc/02/89/19/959028919.db2.gz DKPLWDHMQXABJK-UHFFFAOYSA-N 1 2 249.314 1.078 20 0 BDADLO CN(C)c1ccc(NCC(C)(C)C(N)=O)[nH+]c1 ZINC001167605766 959038408 /nfs/dbraw/zinc/03/84/08/959038408.db2.gz IDIWMXXMAFBTCN-UHFFFAOYSA-N 1 2 236.319 1.071 20 0 BDADLO CC(C)=CC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001143929084 972398680 /nfs/dbraw/zinc/39/86/80/972398680.db2.gz ZUNMSYMHXCNMPT-UHFFFAOYSA-N 1 2 207.277 1.343 20 0 BDADLO Cc1ccc(NCc2cc[nH+]c(N)c2)nn1 ZINC001167617185 959086280 /nfs/dbraw/zinc/08/62/80/959086280.db2.gz IPACMDQFZGNCOX-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO C/C=C(\CC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000588568948 959244982 /nfs/dbraw/zinc/24/49/82/959244982.db2.gz OALBQVOWKFLAEW-ZFSPTPKQSA-N 1 2 241.331 1.607 20 0 BDADLO CCn1cc(C[NH2+][C@H]2CCCc3n[nH]cc32)nn1 ZINC000404419893 959252931 /nfs/dbraw/zinc/25/29/31/959252931.db2.gz BAOWCOHLQYFSCU-NSHDSACASA-N 1 2 246.318 1.188 20 0 BDADLO COC(C)(C)CC[NH2+][C@]1(C)CCOC1=O ZINC000308900324 959284848 /nfs/dbraw/zinc/28/48/48/959284848.db2.gz BFCUNGKRFWKPCB-LLVKDONJSA-N 1 2 215.293 1.097 20 0 BDADLO CN(CC1CCCC1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724753598 959359259 /nfs/dbraw/zinc/35/92/59/959359259.db2.gz WTWLLHYTXOQGLK-SECBINFHSA-N 1 2 234.290 1.618 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@]12C[C@H]1CCCC2)C(F)F ZINC000724763266 959425104 /nfs/dbraw/zinc/42/51/04/959425104.db2.gz WKNFLAWEGPWDJT-SOCHQFKDSA-N 1 2 232.274 1.418 20 0 BDADLO Cc1cc(COC2CC(O)C2)cc(C)[nH+]1 ZINC001217851917 959657870 /nfs/dbraw/zinc/65/78/70/959657870.db2.gz SCQGFVKOZJUZSW-UHFFFAOYSA-N 1 2 207.273 1.738 20 0 BDADLO Cn1cnc2ccc(C[NH+]3CCOCC3)cc21 ZINC001140735713 959772912 /nfs/dbraw/zinc/77/29/12/959772912.db2.gz ZPXLVNPJFSDVHN-UHFFFAOYSA-N 1 2 231.299 1.406 20 0 BDADLO COc1cc2c(cc1OC1CC(O)C1)C=[NH+]CC2 ZINC001218257507 959916495 /nfs/dbraw/zinc/91/64/95/959916495.db2.gz TZRZHFBLBCMFNQ-UHFFFAOYSA-N 1 2 247.294 1.572 20 0 BDADLO OCC[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000694966874 960063467 /nfs/dbraw/zinc/06/34/67/960063467.db2.gz SFEGOVUECYVJAL-SZTZYQKNSA-N 1 2 247.338 1.783 20 0 BDADLO OCC[C@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000694966874 960063479 /nfs/dbraw/zinc/06/34/79/960063479.db2.gz SFEGOVUECYVJAL-SZTZYQKNSA-N 1 2 247.338 1.783 20 0 BDADLO O=C1CCCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141045973 960253285 /nfs/dbraw/zinc/25/32/85/960253285.db2.gz HXKFLASCSPGARQ-UHFFFAOYSA-N 1 2 229.283 1.499 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC001141130235 960353469 /nfs/dbraw/zinc/35/34/69/960353469.db2.gz FOPBYSWRLKQKDC-JTQLQIEISA-N 1 2 208.261 1.476 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC001141130235 960353477 /nfs/dbraw/zinc/35/34/77/960353477.db2.gz FOPBYSWRLKQKDC-JTQLQIEISA-N 1 2 208.261 1.476 20 0 BDADLO O[C@]1(C2CC2)CCC[N@H+](Cc2nncs2)C1 ZINC000930997156 960480687 /nfs/dbraw/zinc/48/06/87/960480687.db2.gz DKYLJUIDEIJSQY-LLVKDONJSA-N 1 2 239.344 1.275 20 0 BDADLO O[C@]1(C2CC2)CCC[N@@H+](Cc2nncs2)C1 ZINC000930997156 960480696 /nfs/dbraw/zinc/48/06/96/960480696.db2.gz DKYLJUIDEIJSQY-LLVKDONJSA-N 1 2 239.344 1.275 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(CO)o1 ZINC001140682367 960492220 /nfs/dbraw/zinc/49/22/20/960492220.db2.gz ZDZONQLGJNALMU-ZDUSSCGKSA-N 1 2 239.315 1.629 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(CO)o1 ZINC001140682367 960492232 /nfs/dbraw/zinc/49/22/32/960492232.db2.gz ZDZONQLGJNALMU-ZDUSSCGKSA-N 1 2 239.315 1.629 20 0 BDADLO C[N@H+](Cc1ccc(CO)o1)Cc1cncnc1 ZINC001140684602 960497996 /nfs/dbraw/zinc/49/79/96/960497996.db2.gz RBKOQGJUQWZYHR-UHFFFAOYSA-N 1 2 233.271 1.194 20 0 BDADLO C[N@@H+](Cc1ccc(CO)o1)Cc1cncnc1 ZINC001140684602 960498004 /nfs/dbraw/zinc/49/80/04/960498004.db2.gz RBKOQGJUQWZYHR-UHFFFAOYSA-N 1 2 233.271 1.194 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3ncn(C)c3c2)C1 ZINC001140733948 960538120 /nfs/dbraw/zinc/53/81/20/960538120.db2.gz APIAMMLXTPJZIG-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO COCC[N@H+](C)Cc1ccc(O)c(F)c1F ZINC001140890120 960666320 /nfs/dbraw/zinc/66/63/20/960666320.db2.gz WHIASWOEXDNHRJ-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO COCC[N@@H+](C)Cc1ccc(O)c(F)c1F ZINC001140890120 960666328 /nfs/dbraw/zinc/66/63/28/960666328.db2.gz WHIASWOEXDNHRJ-UHFFFAOYSA-N 1 2 231.242 1.749 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001222595113 960720522 /nfs/dbraw/zinc/72/05/22/960720522.db2.gz PCEIPIAHHBRGFP-HOSYDEDBSA-N 1 2 204.273 1.901 20 0 BDADLO Cn1c[nH+]cc1COC[C@@H]1Cc2ccccc2O1 ZINC001222593953 960722659 /nfs/dbraw/zinc/72/26/59/960722659.db2.gz ABZLLNGSQXLNSK-ZDUSSCGKSA-N 1 2 244.294 1.940 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC001203082998 960774899 /nfs/dbraw/zinc/77/48/99/960774899.db2.gz FIPDKJHWZVMCHR-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC001203082998 960774908 /nfs/dbraw/zinc/77/49/08/960774908.db2.gz FIPDKJHWZVMCHR-ZYHUDNBSSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1F ZINC001141031548 960821840 /nfs/dbraw/zinc/82/18/40/960821840.db2.gz RATXMHNYQWEAEF-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1F ZINC001141031548 960821844 /nfs/dbraw/zinc/82/18/44/960821844.db2.gz RATXMHNYQWEAEF-RYUDHWBXSA-N 1 2 224.279 1.559 20 0 BDADLO c1coc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001141004600 960800274 /nfs/dbraw/zinc/80/02/74/960800274.db2.gz HWSMIRWLQAAWIL-WDEREUQCSA-N 1 2 222.288 1.676 20 0 BDADLO c1coc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001141004600 960800279 /nfs/dbraw/zinc/80/02/79/960800279.db2.gz HWSMIRWLQAAWIL-WDEREUQCSA-N 1 2 222.288 1.676 20 0 BDADLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncco1 ZINC001141004135 960802045 /nfs/dbraw/zinc/80/20/45/960802045.db2.gz TXXGTYGYHOIWDF-ZDUSSCGKSA-N 1 2 249.314 1.261 20 0 BDADLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncco1 ZINC001141004135 960802046 /nfs/dbraw/zinc/80/20/46/960802046.db2.gz TXXGTYGYHOIWDF-ZDUSSCGKSA-N 1 2 249.314 1.261 20 0 BDADLO O=C1OCCC12CC[NH+](Cc1ncco1)CC2 ZINC001141010498 960811238 /nfs/dbraw/zinc/81/12/38/960811238.db2.gz VNEXVVPQHYZGSP-UHFFFAOYSA-N 1 2 236.271 1.204 20 0 BDADLO Cc1ccncc1C[N@H+](C)C1(C)COC1 ZINC001141036073 960827234 /nfs/dbraw/zinc/82/72/34/960827234.db2.gz KFWSMEAATXMILM-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccncc1C[N@@H+](C)C1(C)COC1 ZINC001141036073 960827227 /nfs/dbraw/zinc/82/72/27/960827227.db2.gz KFWSMEAATXMILM-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO O=C1CCN(Cc2ccn3cc[nH+]c3c2)C[C@@H]1F ZINC001141046025 960832986 /nfs/dbraw/zinc/83/29/86/960832986.db2.gz KBHPCEYKKPAGOY-NSHDSACASA-N 1 2 247.273 1.447 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccn2ccnc2c1 ZINC001141046682 960833026 /nfs/dbraw/zinc/83/30/26/960833026.db2.gz LBEGIYSBNPPHBH-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccn2ccnc2c1 ZINC001141046682 960833035 /nfs/dbraw/zinc/83/30/35/960833035.db2.gz LBEGIYSBNPPHBH-CYBMUJFWSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@H]1CN(Cc2ccn3cc[nH+]c3c2)CCC1=O ZINC001141046958 960834504 /nfs/dbraw/zinc/83/45/04/960834504.db2.gz ATSNNFXXCJJOIC-NSHDSACASA-N 1 2 243.310 1.745 20 0 BDADLO O[C@@H]1CCN(Cc2ccn3cc[nH+]c3c2)C[C@H]1F ZINC001141047500 960835233 /nfs/dbraw/zinc/83/52/33/960835233.db2.gz KBCJADQECMZDGZ-VXGBXAGGSA-N 1 2 249.289 1.239 20 0 BDADLO CCCCc1ncc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)[nH]1 ZINC001141071194 960860713 /nfs/dbraw/zinc/86/07/13/960860713.db2.gz FYWQFUMBVFJTFP-WCQYABFASA-N 1 2 249.358 1.973 20 0 BDADLO CCCCc1ncc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)[nH]1 ZINC001141071194 960860718 /nfs/dbraw/zinc/86/07/18/960860718.db2.gz FYWQFUMBVFJTFP-WCQYABFASA-N 1 2 249.358 1.973 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c[nH]1 ZINC001141071194 960860724 /nfs/dbraw/zinc/86/07/24/960860724.db2.gz FYWQFUMBVFJTFP-WCQYABFASA-N 1 2 249.358 1.973 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c[nH]1 ZINC001141071194 960860735 /nfs/dbraw/zinc/86/07/35/960860735.db2.gz FYWQFUMBVFJTFP-WCQYABFASA-N 1 2 249.358 1.973 20 0 BDADLO COc1cc(C[N@H+](C)CCF)cc(O)c1OC ZINC001141175672 960913078 /nfs/dbraw/zinc/91/30/78/960913078.db2.gz UVFGLFNAFCMAAI-UHFFFAOYSA-N 1 2 243.278 1.811 20 0 BDADLO COc1cc(C[N@@H+](C)CCF)cc(O)c1OC ZINC001141175672 960913085 /nfs/dbraw/zinc/91/30/85/960913085.db2.gz UVFGLFNAFCMAAI-UHFFFAOYSA-N 1 2 243.278 1.811 20 0 BDADLO CN(C)c1cccc(C[NH+]2CCN(C#N)CC2)c1 ZINC001141272468 961035931 /nfs/dbraw/zinc/03/59/31/961035931.db2.gz OYWGBYIGBNRUBJ-UHFFFAOYSA-N 1 2 244.342 1.351 20 0 BDADLO C[C@H]1CC[N@@H+]1Cc1cn2c(n1)COCC2 ZINC001141526897 961101105 /nfs/dbraw/zinc/10/11/05/961101105.db2.gz PRKQQLYCBNMIEV-VIFPVBQESA-N 1 2 207.277 1.008 20 0 BDADLO C[C@H]1CC[N@H+]1Cc1cn2c(n1)COCC2 ZINC001141526897 961101112 /nfs/dbraw/zinc/10/11/12/961101112.db2.gz PRKQQLYCBNMIEV-VIFPVBQESA-N 1 2 207.277 1.008 20 0 BDADLO C[NH+]1CC(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001142246021 961371035 /nfs/dbraw/zinc/37/10/35/961371035.db2.gz VECDHVLZYHTNMY-UHFFFAOYSA-N 1 2 244.747 1.374 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)o1 ZINC001142611577 961521918 /nfs/dbraw/zinc/52/19/18/961521918.db2.gz HFJPJEXCWFJNQQ-RKDXNWHRSA-N 1 2 241.262 1.999 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)o1 ZINC001142611577 961521927 /nfs/dbraw/zinc/52/19/27/961521927.db2.gz HFJPJEXCWFJNQQ-RKDXNWHRSA-N 1 2 241.262 1.999 20 0 BDADLO Cc1c[nH]c(CCNC(=O)/C=C/C(C)C)[nH+]1 ZINC001142662053 961565138 /nfs/dbraw/zinc/56/51/38/961565138.db2.gz SNMNRTZFUMZYSE-SNAWJCMRSA-N 1 2 221.304 1.589 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC001344539083 961684950 /nfs/dbraw/zinc/68/49/50/961684950.db2.gz LUUTVJJDMBMOFY-WYUUTHIRSA-N 1 2 233.315 1.749 20 0 BDADLO c1cn2cccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)c2n1 ZINC001142963620 961858032 /nfs/dbraw/zinc/85/80/32/961858032.db2.gz PFIVESVOILMBLJ-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2cccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)c2n1 ZINC001142963620 961858042 /nfs/dbraw/zinc/85/80/42/961858042.db2.gz PFIVESVOILMBLJ-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO c1cn2cc(CN3C[C@H]4C[C@@H](C3)O4)ccc2[nH+]1 ZINC001143027801 961868891 /nfs/dbraw/zinc/86/88/91/961868891.db2.gz SGVLFJPRAZVSMP-TXEJJXNPSA-N 1 2 229.283 1.307 20 0 BDADLO CCCOC1CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143028674 961871040 /nfs/dbraw/zinc/87/10/40/961871040.db2.gz GAKQWKHAPQDVIF-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(C)Cc1nccs1 ZINC001149240699 962048987 /nfs/dbraw/zinc/04/89/87/962048987.db2.gz BPXZXFLOCZAFNQ-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(C)Cc1nccs1 ZINC001149240699 962049008 /nfs/dbraw/zinc/04/90/08/962049008.db2.gz BPXZXFLOCZAFNQ-SECBINFHSA-N 1 2 239.344 1.196 20 0 BDADLO CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001151474884 962295899 /nfs/dbraw/zinc/29/58/99/962295899.db2.gz RRYGDCGGWXFKCM-SNVBAGLBSA-N 1 2 239.319 1.411 20 0 BDADLO CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001151474884 962295907 /nfs/dbraw/zinc/29/59/07/962295907.db2.gz RRYGDCGGWXFKCM-SNVBAGLBSA-N 1 2 239.319 1.411 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000048573384 962434109 /nfs/dbraw/zinc/43/41/09/962434109.db2.gz SCBOFENUIFSHJK-QWRGUYRKSA-N 1 2 247.298 1.785 20 0 BDADLO [NH3+][C@H]1CN(C[C@H]2CCCCO2)CCC1(F)F ZINC001206648197 962606634 /nfs/dbraw/zinc/60/66/34/962606634.db2.gz MJSLQELUAZZVBA-ZJUUUORDSA-N 1 2 234.290 1.224 20 0 BDADLO Cc1cc2[nH]c(C(=O)NC3C[NH+](C)C3)cc2s1 ZINC001154006297 962681135 /nfs/dbraw/zinc/68/11/35/962681135.db2.gz MYELESCHJAEJEI-UHFFFAOYSA-N 1 2 249.339 1.582 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC=CC1 ZINC001154518100 962786677 /nfs/dbraw/zinc/78/66/77/962786677.db2.gz SZBFONIDPPTSTM-UHFFFAOYSA-N 1 2 213.240 1.346 20 0 BDADLO CC/C(C)=C\C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001269780540 962793503 /nfs/dbraw/zinc/79/35/03/962793503.db2.gz INNAOTRCYMNSEF-FLIBITNWSA-N 1 2 240.347 1.132 20 0 BDADLO O=C(Nc1cnoc1)c1cccc2[nH+]ccn21 ZINC001154518370 962794941 /nfs/dbraw/zinc/79/49/41/962794941.db2.gz YRFDKSZPUREONX-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO C=Cc1ccc(NCCn2ccnn2)[nH+]c1 ZINC001154621980 962815770 /nfs/dbraw/zinc/81/57/70/962815770.db2.gz AVNREULGNDVLAJ-UHFFFAOYSA-N 1 2 215.260 1.428 20 0 BDADLO COc1ccc(C)[nH+]c1N1CCn2nncc2C1 ZINC001154818496 962858296 /nfs/dbraw/zinc/85/82/96/962858296.db2.gz XZUNWSXURPNHBN-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO COc1cc(NC(=[NH2+])C(C)(C)C)ncn1 ZINC001155176294 962994170 /nfs/dbraw/zinc/99/41/70/962994170.db2.gz YKDGHZCPRFGUDC-UHFFFAOYSA-N 1 2 208.265 1.920 20 0 BDADLO C=Cc1ccc(NC[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001155197255 963019653 /nfs/dbraw/zinc/01/96/53/963019653.db2.gz KHPBYALFIZPMPW-GFCCVEGCSA-N 1 2 233.315 1.467 20 0 BDADLO C=Cc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001155197255 963019671 /nfs/dbraw/zinc/01/96/71/963019671.db2.gz KHPBYALFIZPMPW-GFCCVEGCSA-N 1 2 233.315 1.467 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCC2(O)CCC2)no1 ZINC001167967047 963032304 /nfs/dbraw/zinc/03/23/04/963032304.db2.gz CNTSGZWJMUGXSC-UHFFFAOYSA-N 1 2 239.319 1.508 20 0 BDADLO CCC(CO)(CO)Nc1cc2cc(C)[nH]c2c[nH+]1 ZINC001167969385 963041485 /nfs/dbraw/zinc/04/14/85/963041485.db2.gz DKFZZKIDKIKNCJ-UHFFFAOYSA-N 1 2 249.314 1.417 20 0 BDADLO CSc1cc(NCCNC(C)=O)nc(C)[nH+]1 ZINC001161652832 963043358 /nfs/dbraw/zinc/04/33/58/963043358.db2.gz JBSBYNWTLJMOPY-UHFFFAOYSA-N 1 2 240.332 1.055 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1(F)CCCCC1 ZINC001270686641 963069288 /nfs/dbraw/zinc/06/92/88/963069288.db2.gz TVRJSINKGQNTQC-PHIMTYICSA-N 1 2 240.322 1.574 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1(F)CCCCC1 ZINC001270686641 963069302 /nfs/dbraw/zinc/06/93/02/963069302.db2.gz TVRJSINKGQNTQC-PHIMTYICSA-N 1 2 240.322 1.574 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H]1CCO ZINC000303741062 963075543 /nfs/dbraw/zinc/07/55/43/963075543.db2.gz GPCUQLHEGBWCKA-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H]1CCO ZINC000303741062 963075561 /nfs/dbraw/zinc/07/55/61/963075561.db2.gz GPCUQLHEGBWCKA-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO CCC1(C(=O)N2CC3(CC[N@@H+]3C)C2)CCC1 ZINC001270747067 963098856 /nfs/dbraw/zinc/09/88/56/963098856.db2.gz NDZMLELYWMJYHV-UHFFFAOYSA-N 1 2 222.332 1.483 20 0 BDADLO CCC1(C(=O)N2CC3(CC[N@H+]3C)C2)CCC1 ZINC001270747067 963098867 /nfs/dbraw/zinc/09/88/67/963098867.db2.gz NDZMLELYWMJYHV-UHFFFAOYSA-N 1 2 222.332 1.483 20 0 BDADLO CNC(=S)NCc1c[nH+]c(C)cc1C ZINC000307575948 963134361 /nfs/dbraw/zinc/13/43/61/963134361.db2.gz LOSALTAWFAHSGT-UHFFFAOYSA-N 1 2 209.318 1.292 20 0 BDADLO c1cn(CCCNc2cccc3ncnn32)c[nH+]1 ZINC001161684949 963204074 /nfs/dbraw/zinc/20/40/74/963204074.db2.gz YWRJRZWCNNMGMM-UHFFFAOYSA-N 1 2 242.286 1.428 20 0 BDADLO CC[C@@H](C)Nc1cc[nH+]c(C(=O)OC)c1C ZINC001168002919 963238405 /nfs/dbraw/zinc/23/84/05/963238405.db2.gz FIDRCMFTTVZISY-MRVPVSSYSA-N 1 2 222.288 1.809 20 0 BDADLO CC1(Nc2cc(N3CCOCC3)nc[nH+]2)CCC1 ZINC001156067035 963247509 /nfs/dbraw/zinc/24/75/09/963247509.db2.gz HPUGAHWTRFVGRA-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO CC1(Nc2cc(N3CCOCC3)[nH+]cn2)CCC1 ZINC001156067035 963247518 /nfs/dbraw/zinc/24/75/18/963247518.db2.gz HPUGAHWTRFVGRA-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO C[C@H]1CN(C)C(=O)CN1c1cccc(C2CC2)[nH+]1 ZINC001156191835 963282828 /nfs/dbraw/zinc/28/28/28/963282828.db2.gz FCHSLHOLMYJZMM-JTQLQIEISA-N 1 2 245.326 1.626 20 0 BDADLO Cc1c(F)cc[nH+]c1NCC(=O)N1CCCC1 ZINC001156347024 963322824 /nfs/dbraw/zinc/32/28/24/963322824.db2.gz UPWXBJJQRDILRA-UHFFFAOYSA-N 1 2 237.278 1.563 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)no1 ZINC000721836415 963372875 /nfs/dbraw/zinc/37/28/75/963372875.db2.gz ZVHPAWYXCUOTTE-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](C(C)(C)O)C2)no1 ZINC000721836415 963372884 /nfs/dbraw/zinc/37/28/84/963372884.db2.gz ZVHPAWYXCUOTTE-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cc(C=O)c[nH]2)c[nH+]1 ZINC001156538634 963378177 /nfs/dbraw/zinc/37/81/77/963378177.db2.gz YZTNHVKEEQWWBZ-UHFFFAOYSA-N 1 2 246.270 1.043 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cc(C=O)c[nH]2)[nH+]1 ZINC001156538634 963378182 /nfs/dbraw/zinc/37/81/82/963378182.db2.gz YZTNHVKEEQWWBZ-UHFFFAOYSA-N 1 2 246.270 1.043 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccccc2O)[nH+]1 ZINC001156538415 963380300 /nfs/dbraw/zinc/38/03/00/963380300.db2.gz UNTLFZJXHYUXHU-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CSc1cc[nH+]c(NC2CC(=O)C2)c1 ZINC001156618625 963414479 /nfs/dbraw/zinc/41/44/79/963414479.db2.gz SSLQDBWJZUXUTK-UHFFFAOYSA-N 1 2 208.286 1.947 20 0 BDADLO COc1cc[nH+]c(Nc2cnc3ccnn3c2)c1 ZINC001204773429 963432590 /nfs/dbraw/zinc/43/25/90/963432590.db2.gz CWINWWKZUIXBIH-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO C[C@H](Nc1cc(N)nc[nH+]1)c1ccc(F)cn1 ZINC001156679069 963436677 /nfs/dbraw/zinc/43/66/77/963436677.db2.gz OZFGORZLIAWDMD-ZETCQYMHSA-N 1 2 233.250 1.766 20 0 BDADLO CN(C)c1cncc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756522 963452653 /nfs/dbraw/zinc/45/26/53/963452653.db2.gz ZYGFWZREXBASRF-UHFFFAOYSA-N 1 2 244.302 1.132 20 0 BDADLO COCc1ccnc(NCc2cc[nH+]c(N)c2)n1 ZINC001156757137 963454610 /nfs/dbraw/zinc/45/46/10/963454610.db2.gz NYTSCQWZCCEFBW-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)C1(CC3CC3)CC1)C2 ZINC001271857806 963669259 /nfs/dbraw/zinc/66/92/59/963669259.db2.gz AUOFSVDOBGTDLT-UHFFFAOYSA-N 1 2 234.343 1.483 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)C1(CC3CC3)CC1)C2 ZINC001271857806 963669262 /nfs/dbraw/zinc/66/92/62/963669262.db2.gz AUOFSVDOBGTDLT-UHFFFAOYSA-N 1 2 234.343 1.483 20 0 BDADLO CN(C)c1cc(NC[C@H]2CC(C)(C)O2)[nH+]cn1 ZINC001157654692 963691797 /nfs/dbraw/zinc/69/17/97/963691797.db2.gz NCNZKTKLTZOBFI-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(NC[C@H]2CC(C)(C)O2)nc[nH+]1 ZINC001157654692 963691803 /nfs/dbraw/zinc/69/18/03/963691803.db2.gz NCNZKTKLTZOBFI-SECBINFHSA-N 1 2 236.319 1.522 20 0 BDADLO CCCCCOC(=O)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168106396 963729748 /nfs/dbraw/zinc/72/97/48/963729748.db2.gz ZEKPHWGESORRJJ-NWDGAFQWSA-N 1 2 243.347 1.877 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001088438117 963778622 /nfs/dbraw/zinc/77/86/22/963778622.db2.gz MKAXDVDXQOGSRD-KOLCDFICSA-N 1 2 237.303 1.082 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001088438117 963778625 /nfs/dbraw/zinc/77/86/25/963778625.db2.gz MKAXDVDXQOGSRD-KOLCDFICSA-N 1 2 237.303 1.082 20 0 BDADLO CCCNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001168132866 963823270 /nfs/dbraw/zinc/82/32/70/963823270.db2.gz NSBCPAKEROGKNL-UHFFFAOYSA-N 1 2 207.233 1.234 20 0 BDADLO CSCc1cc[nH+]c(NCC2OCCO2)c1 ZINC001158202943 963825451 /nfs/dbraw/zinc/82/54/51/963825451.db2.gz BCNKHVGJNFTSAR-UHFFFAOYSA-N 1 2 240.328 1.729 20 0 BDADLO O=C(CC[N@H+]1CC[C@@H](F)C1)NOC1CCC1 ZINC001158455479 963879994 /nfs/dbraw/zinc/87/99/94/963879994.db2.gz NPHJHRJKYUIOJO-SECBINFHSA-N 1 2 230.283 1.021 20 0 BDADLO O=C(CC[N@@H+]1CC[C@@H](F)C1)NOC1CCC1 ZINC001158455479 963879996 /nfs/dbraw/zinc/87/99/96/963879996.db2.gz NPHJHRJKYUIOJO-SECBINFHSA-N 1 2 230.283 1.021 20 0 BDADLO C=CC(=O)NCCNc1ccc(Cl)c(N)[nH+]1 ZINC001158839712 963942286 /nfs/dbraw/zinc/94/22/86/963942286.db2.gz SAWCNRRHGURASD-UHFFFAOYSA-N 1 2 240.694 1.031 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168236707 964014811 /nfs/dbraw/zinc/01/48/11/964014811.db2.gz YRMCKWFTJHDZIV-CABZTGNLSA-N 1 2 249.310 1.314 20 0 BDADLO CC(C)c1ccc(N2C[C@H](O)C[C@@H]2CO)[nH+]c1 ZINC001159251034 964030160 /nfs/dbraw/zinc/03/01/60/964030160.db2.gz QZFPERSKHWLFNL-VXGBXAGGSA-N 1 2 236.315 1.137 20 0 BDADLO CCOCC[C@H](C)[NH2+]C(C)(C)C(=O)OCC ZINC001172412525 974677090 /nfs/dbraw/zinc/67/70/90/974677090.db2.gz YCFOWESBUAEQIR-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO CC/C(C)=C\C(=O)NCC[NH2+]Cc1ncccn1 ZINC001126752038 964164582 /nfs/dbraw/zinc/16/45/82/964164582.db2.gz LATUTIZIRVPTBV-LUAWRHEFSA-N 1 2 248.330 1.039 20 0 BDADLO COc1ccc(-c2noc(C[NH+]3CCC3)n2)nc1 ZINC001212095407 964251850 /nfs/dbraw/zinc/25/18/50/964251850.db2.gz GVDPULLUGDBCQI-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO COc1cccc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212093311 964252180 /nfs/dbraw/zinc/25/21/80/964252180.db2.gz QNLQPCGEJPMZAS-UHFFFAOYSA-N 1 2 245.282 1.951 20 0 BDADLO Cc1cc(N(C)C)ncc1NC1C[NH+](C(C)C)C1 ZINC001168315205 964426668 /nfs/dbraw/zinc/42/66/68/964426668.db2.gz KRJGUJUIWDLTMX-UHFFFAOYSA-N 1 2 248.374 1.961 20 0 BDADLO CC(C)[NH+]1CC(Nc2c[n+]([O-])ccc2Cl)C1 ZINC001168315986 964434762 /nfs/dbraw/zinc/43/47/62/964434762.db2.gz RUGJWTDRXJOAJW-UHFFFAOYSA-N 1 2 241.722 1.478 20 0 BDADLO CCC1(CNc2ccn3cc(N)[nH+]c3c2)COC1 ZINC001168327785 964461576 /nfs/dbraw/zinc/46/15/76/964461576.db2.gz VEFOFMAVQLTLSK-UHFFFAOYSA-N 1 2 246.314 1.755 20 0 BDADLO Nc1cc[nH]c(=O)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213029165 964510309 /nfs/dbraw/zinc/51/03/09/964510309.db2.gz HDFIKBZUXWQEOL-UHFFFAOYSA-N 1 2 241.254 1.989 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C2CC(F)C2)[nH+]1 ZINC001142579867 964634838 /nfs/dbraw/zinc/63/48/38/964634838.db2.gz RSLRZGBVTFPZGC-UHFFFAOYSA-N 1 2 225.267 1.125 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c1C ZINC001206677133 964644667 /nfs/dbraw/zinc/64/46/67/964644667.db2.gz YQPNASYRXACXTE-NSHDSACASA-N 1 2 243.301 1.800 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC(F)(F)[C@@H](N)C2)c1C ZINC001206677133 964644673 /nfs/dbraw/zinc/64/46/73/964644673.db2.gz YQPNASYRXACXTE-NSHDSACASA-N 1 2 243.301 1.800 20 0 BDADLO c1cn(CCCNc2ncnc3ccoc32)c[nH+]1 ZINC001161681344 964683443 /nfs/dbraw/zinc/68/34/43/964683443.db2.gz SGFZYWMUAHLXLT-UHFFFAOYSA-N 1 2 243.270 1.922 20 0 BDADLO C[C@H](C(=O)NC1(C)CCCC1)n1cc[nH+]c1 ZINC000139365963 964754420 /nfs/dbraw/zinc/75/44/20/964754420.db2.gz HBZJFEPPFBSKAJ-SNVBAGLBSA-N 1 2 221.304 1.893 20 0 BDADLO Nc1cn2ccc(NCC(F)F)cc2[nH+]1 ZINC001161813410 964766914 /nfs/dbraw/zinc/76/69/14/964766914.db2.gz COVUGROUEMFMHV-UHFFFAOYSA-N 1 2 212.203 1.594 20 0 BDADLO Cc1ccc(-c2cc[nH+]c(NCC(N)=O)c2)cc1 ZINC001161837096 964781432 /nfs/dbraw/zinc/78/14/32/964781432.db2.gz JPMJIICVTHEGDR-UHFFFAOYSA-N 1 2 241.294 1.954 20 0 BDADLO NC(=O)CNc1cc2cc(F)ccc2c[nH+]1 ZINC001161836986 964781488 /nfs/dbraw/zinc/78/14/88/964781488.db2.gz HLCWWICXBOQSFI-UHFFFAOYSA-N 1 2 219.219 1.271 20 0 BDADLO CSc1cc(NCc2cnn(C)c2)nc(C)[nH+]1 ZINC001161848515 964789226 /nfs/dbraw/zinc/78/92/26/964789226.db2.gz ACVQNAPAKUJQNR-UHFFFAOYSA-N 1 2 249.343 1.853 20 0 BDADLO c1cn2ccc(NCc3ncon3)cc2[nH+]1 ZINC001162280710 964906794 /nfs/dbraw/zinc/90/67/94/964906794.db2.gz OFIUCMRWPDTPSQ-UHFFFAOYSA-N 1 2 215.216 1.329 20 0 BDADLO Cc1nc(N[C@H]2CCC[C@H]2CO)c2c([nH+]1)CCC2 ZINC001162607988 965074633 /nfs/dbraw/zinc/07/46/33/965074633.db2.gz NXLXYEQWEJRUOL-JQWIXIFHSA-N 1 2 247.342 1.847 20 0 BDADLO Cc1ccc(NC[C@@H]2C[N@H+](C)CCO2)c(F)n1 ZINC001162688950 965124806 /nfs/dbraw/zinc/12/48/06/965124806.db2.gz XZCSTWMWASTHBF-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)c(F)n1 ZINC001162688950 965124810 /nfs/dbraw/zinc/12/48/10/965124810.db2.gz XZCSTWMWASTHBF-SNVBAGLBSA-N 1 2 239.294 1.272 20 0 BDADLO Cn1ccc(CNc2cccc[nH+]2)cc1=O ZINC001168395696 965148618 /nfs/dbraw/zinc/14/86/18/965148618.db2.gz JEGWLZOSEVLDEA-UHFFFAOYSA-N 1 2 215.256 1.392 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)CCO)C(=O)OC(C)(C)C ZINC000227951660 965278264 /nfs/dbraw/zinc/27/82/64/965278264.db2.gz JMKPZZYCBHJVDW-JTQLQIEISA-N 1 2 245.363 1.715 20 0 BDADLO C[N@H+](Cc1ccc(Cl)c(O)c1)C1COC1 ZINC001231734216 965281847 /nfs/dbraw/zinc/28/18/47/965281847.db2.gz SIDCEWAVUUBEQE-UHFFFAOYSA-N 1 2 227.691 1.876 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)c(O)c1)C1COC1 ZINC001231734216 965281860 /nfs/dbraw/zinc/28/18/60/965281860.db2.gz SIDCEWAVUUBEQE-UHFFFAOYSA-N 1 2 227.691 1.876 20 0 BDADLO CCc1cc(N[C@@H](C)C(=O)OC(C)C)cc[nH+]1 ZINC001163408054 965399002 /nfs/dbraw/zinc/39/90/02/965399002.db2.gz SGBOFAOZOHNCHP-JTQLQIEISA-N 1 2 236.315 1.818 20 0 BDADLO Cc1[nH+]ccn1CCNc1nc2[nH]ccc2c[nH+]1 ZINC001163919222 965632644 /nfs/dbraw/zinc/63/26/44/965632644.db2.gz BZHFSIDCOQGBPT-UHFFFAOYSA-N 1 2 242.286 1.527 20 0 BDADLO Cc1cc(NC[C@H]2CCC(=O)N2)ccc1[NH+](C)C ZINC001164172107 965775937 /nfs/dbraw/zinc/77/59/37/965775937.db2.gz WTVOPSCHEOBHTF-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@@H](F)[C@@H](O)CC1 ZINC001164238977 965810371 /nfs/dbraw/zinc/81/03/71/965810371.db2.gz LRNFCAXQNNLQSY-MNOVXSKESA-N 1 2 242.269 1.828 20 0 BDADLO C[C@H]1C[C@@H](CF)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001164255640 965812044 /nfs/dbraw/zinc/81/20/44/965812044.db2.gz IOGWXTTWBBFDPB-UWVGGRQHSA-N 1 2 238.310 1.727 20 0 BDADLO C[C@H]1C[C@@H](CF)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001164255640 965812053 /nfs/dbraw/zinc/81/20/53/965812053.db2.gz IOGWXTTWBBFDPB-UWVGGRQHSA-N 1 2 238.310 1.727 20 0 BDADLO Cc1nc(NCC[C@@H](C)NC(=O)C2CC2)cc[nH+]1 ZINC001106200274 965817281 /nfs/dbraw/zinc/81/72/81/965817281.db2.gz VWXJHNOKAVVTFH-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO CCN(C)c1cc(NCCn2cccc2)[nH+]cn1 ZINC001164442503 965886352 /nfs/dbraw/zinc/88/63/52/965886352.db2.gz CGGSQJDRMCPLBZ-UHFFFAOYSA-N 1 2 245.330 1.846 20 0 BDADLO CCN(C)c1cc(NCCn2cccc2)nc[nH+]1 ZINC001164442503 965886356 /nfs/dbraw/zinc/88/63/56/965886356.db2.gz CGGSQJDRMCPLBZ-UHFFFAOYSA-N 1 2 245.330 1.846 20 0 BDADLO Cc1ncnc(N2CC[NH2+]CC(F)(F)C2)c1C ZINC001164492697 965895930 /nfs/dbraw/zinc/89/59/30/965895930.db2.gz FPADTNANEBYACG-UHFFFAOYSA-N 1 2 242.273 1.138 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001031181814 965924961 /nfs/dbraw/zinc/92/49/61/965924961.db2.gz SKFBQWDVUYYLTN-OCCSQVGLSA-N 1 2 238.375 1.879 20 0 BDADLO CC(C)C[C@@H](O)CNc1cc[nH+]cc1F ZINC000699648606 966021206 /nfs/dbraw/zinc/02/12/06/966021206.db2.gz PMWJCNZIYSEFTR-SECBINFHSA-N 1 2 212.268 1.462 20 0 BDADLO Nc1cc(N2CC[C@H]3CCCO[C@H]3C2)[nH+]cn1 ZINC001165332656 966058890 /nfs/dbraw/zinc/05/88/90/966058890.db2.gz FGCVGOZBOBTQES-ZJUUUORDSA-N 1 2 234.303 1.064 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cncc(F)c2Cl)C1 ZINC001235489954 966074420 /nfs/dbraw/zinc/07/44/20/966074420.db2.gz WIBTWFBCMVONEB-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cncc(F)c2Cl)C1 ZINC001235489954 966074433 /nfs/dbraw/zinc/07/44/33/966074433.db2.gz WIBTWFBCMVONEB-LLVKDONJSA-N 1 2 244.697 1.831 20 0 BDADLO COC[C@@]12CCC[C@@H]1CN(c1cc(N)nc[nH+]1)C2 ZINC001165929815 966202268 /nfs/dbraw/zinc/20/22/68/966202268.db2.gz VBZVGOGOYHBBFB-MFKMUULPSA-N 1 2 248.330 1.312 20 0 BDADLO COCC(C)(C)Nc1ccn2cc(N)[nH+]c2c1 ZINC001166002223 966227475 /nfs/dbraw/zinc/22/74/75/966227475.db2.gz GSJYVRYEWYCZTF-UHFFFAOYSA-N 1 2 234.303 1.753 20 0 BDADLO Cc1nc(N2CC[C@H](CO)C2)c2c([nH+]1)CCC2 ZINC001166550262 966295546 /nfs/dbraw/zinc/29/55/46/966295546.db2.gz RLWDSOIKNHUJAW-JTQLQIEISA-N 1 2 233.315 1.092 20 0 BDADLO C[C@H]1C(=O)NCCN1c1cccc(C2CC2)[nH+]1 ZINC001166562235 966306558 /nfs/dbraw/zinc/30/65/58/966306558.db2.gz HOKZUIBJWZBBHC-VIFPVBQESA-N 1 2 231.299 1.284 20 0 BDADLO NC(=O)N1CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001166574253 966309758 /nfs/dbraw/zinc/30/97/58/966309758.db2.gz OHJJOCGMOPEKEF-UHFFFAOYSA-N 1 2 246.314 1.160 20 0 BDADLO CCN(CCC(N)=O)c1cc(N)cc(Cl)[nH+]1 ZINC001166587989 966310865 /nfs/dbraw/zinc/31/08/65/966310865.db2.gz MIVVESRNBAYKJB-UHFFFAOYSA-N 1 2 242.710 1.019 20 0 BDADLO c1cc(C2CC2)[nH+]c(N2CCC3(C2)OCCO3)c1 ZINC001166590719 966316392 /nfs/dbraw/zinc/31/63/92/966316392.db2.gz LIVBRPDVWPFARC-UHFFFAOYSA-N 1 2 246.310 1.912 20 0 BDADLO CCc1cc(N2CCNC(=O)C2(C)C)nc(C)[nH+]1 ZINC001166606494 966323333 /nfs/dbraw/zinc/32/33/33/966323333.db2.gz JYLYQJNYRANDNO-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCNC(=O)C1(C)C ZINC001166607077 966324883 /nfs/dbraw/zinc/32/48/83/966324883.db2.gz UMQNHVUFMXZFPW-UHFFFAOYSA-N 1 2 237.278 1.244 20 0 BDADLO CC[C@H](C)CCC(=O)NCCc1[nH+]ccn1C ZINC001124010753 966350836 /nfs/dbraw/zinc/35/08/36/966350836.db2.gz LGXXBCXHPWFCFJ-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO Cc1cc(N[C@H]2CCN(C)C2=O)ccc1[NH+](C)C ZINC001166692347 966365362 /nfs/dbraw/zinc/36/53/62/966365362.db2.gz FXRRIZVFPJMPSW-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(N[C@@H]2CCN(C)C2=O)[nH+]c2cc[nH]c21 ZINC001166695046 966367594 /nfs/dbraw/zinc/36/75/94/966367594.db2.gz QRWKYLFVHMWSOO-SNVBAGLBSA-N 1 2 244.298 1.514 20 0 BDADLO CCc1cn(Cc2cc(OC)no2)c[nH+]1 ZINC001166823861 966425845 /nfs/dbraw/zinc/42/58/45/966425845.db2.gz YSSDPBGSMXPAIJ-UHFFFAOYSA-N 1 2 207.233 1.490 20 0 BDADLO Cc1nc(N2CC3(CCO3)C2)c(C)c(C)[nH+]1 ZINC001166943193 966448131 /nfs/dbraw/zinc/44/81/31/966448131.db2.gz ZWOCPZKDSOBFHG-UHFFFAOYSA-N 1 2 219.288 1.381 20 0 BDADLO C[C@@H]1C[C@H](O)CCN1c1ccc(Cl)c(N)[nH+]1 ZINC001166962058 966483674 /nfs/dbraw/zinc/48/36/74/966483674.db2.gz SPIJIXVHHZPXEN-HTQZYQBOSA-N 1 2 241.722 1.667 20 0 BDADLO CO[C@@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000181447944 966517924 /nfs/dbraw/zinc/51/79/24/966517924.db2.gz MQLSJDBJLBNQGJ-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CO[C@@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000181447944 966517932 /nfs/dbraw/zinc/51/79/32/966517932.db2.gz MQLSJDBJLBNQGJ-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO COC(CN(C)c1cc(SC)cc[nH+]1)OC ZINC001167029906 966527275 /nfs/dbraw/zinc/52/72/75/966527275.db2.gz VATQHGZEZRNEMY-UHFFFAOYSA-N 1 2 242.344 1.859 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001203205953 966543482 /nfs/dbraw/zinc/54/34/82/966543482.db2.gz KCZXYXXTQZHMKT-ONGXEEELSA-N 1 2 206.293 1.569 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001203205953 966543490 /nfs/dbraw/zinc/54/34/90/966543490.db2.gz KCZXYXXTQZHMKT-ONGXEEELSA-N 1 2 206.293 1.569 20 0 BDADLO Cc1conc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001127644981 966550958 /nfs/dbraw/zinc/55/09/58/966550958.db2.gz RXKWNEWONPFYLW-UHFFFAOYSA-N 1 2 217.228 1.361 20 0 BDADLO O[C@H]1CCN(c2ccc(Nc3cnoc3)c[nH+]2)C1 ZINC001203237142 966573531 /nfs/dbraw/zinc/57/35/31/966573531.db2.gz UPLOFUDYJVUGMO-NSHDSACASA-N 1 2 246.270 1.384 20 0 BDADLO CCn1ccc(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC001203421869 966641518 /nfs/dbraw/zinc/64/15/18/966641518.db2.gz HMRSUQWDHFGUDT-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO Cc1cc(C)c(Nc2ccc(C(N)=O)nc2)c[nH+]1 ZINC001203431212 966644494 /nfs/dbraw/zinc/64/44/94/966644494.db2.gz UGDAKWVTWMHZQX-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO CNc1ccc(Nc2cc(N)c(O)cc2O)c[nH+]1 ZINC001203459289 966652268 /nfs/dbraw/zinc/65/22/68/966652268.db2.gz JHBKXSYTWSZODF-UHFFFAOYSA-N 1 2 246.270 1.860 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cnn(C)n2)c1 ZINC001203656626 966714033 /nfs/dbraw/zinc/71/40/33/966714033.db2.gz XTMZKONFJHOPPE-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO Cc1cccc(C[NH+]2CCN(C#N)CC2)c1 ZINC001203894161 966811787 /nfs/dbraw/zinc/81/17/87/966811787.db2.gz OXNUTZQCUDCRHR-UHFFFAOYSA-N 1 2 215.300 1.594 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)NC[C@H]2C)c1 ZINC001203895251 966813143 /nfs/dbraw/zinc/81/31/43/966813143.db2.gz RQSZGKUEDCMRSD-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)NC[C@H]2C)c1 ZINC001203895251 966813147 /nfs/dbraw/zinc/81/31/47/966813147.db2.gz RQSZGKUEDCMRSD-LLVKDONJSA-N 1 2 218.300 1.315 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001203976516 966834600 /nfs/dbraw/zinc/83/46/00/966834600.db2.gz AEIUFKUWVGMYND-QWRGUYRKSA-N 1 2 221.304 1.411 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001203976516 966834603 /nfs/dbraw/zinc/83/46/03/966834603.db2.gz AEIUFKUWVGMYND-QWRGUYRKSA-N 1 2 221.304 1.411 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001203976512 966834658 /nfs/dbraw/zinc/83/46/58/966834658.db2.gz AEIUFKUWVGMYND-GHMZBOCLSA-N 1 2 221.304 1.411 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001203976512 966834662 /nfs/dbraw/zinc/83/46/62/966834662.db2.gz AEIUFKUWVGMYND-GHMZBOCLSA-N 1 2 221.304 1.411 20 0 BDADLO FC1CN(C2CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC001203981078 966837429 /nfs/dbraw/zinc/83/74/29/966837429.db2.gz BMGHQCWVLGAPHT-UHFFFAOYSA-N 1 2 238.310 1.028 20 0 BDADLO Cc1ccnn1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC001203982598 966838801 /nfs/dbraw/zinc/83/88/01/966838801.db2.gz RZYQJKDSBPDCGN-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc[nH]2)CC[C@H]1F ZINC001204006963 966845005 /nfs/dbraw/zinc/84/50/05/966845005.db2.gz MTBJSJLVZORVRZ-SNVBAGLBSA-N 1 2 210.252 1.518 20 0 BDADLO O=C1CC[N@H+](Cc2ccc[nH]2)CC[C@H]1F ZINC001204006963 966845009 /nfs/dbraw/zinc/84/50/09/966845009.db2.gz MTBJSJLVZORVRZ-SNVBAGLBSA-N 1 2 210.252 1.518 20 0 BDADLO O=C1C[N@@H+](Cc2ccc[nH]2)CC2(CCCC2)N1 ZINC001204011168 966850866 /nfs/dbraw/zinc/85/08/66/966850866.db2.gz WGBKBPRDFITYPX-UHFFFAOYSA-N 1 2 233.315 1.259 20 0 BDADLO O=C1C[N@H+](Cc2ccc[nH]2)CC2(CCCC2)N1 ZINC001204011168 966850863 /nfs/dbraw/zinc/85/08/63/966850863.db2.gz WGBKBPRDFITYPX-UHFFFAOYSA-N 1 2 233.315 1.259 20 0 BDADLO O=C1C[N@H+](Cc2ccsc2)C[C@H]2CCCN12 ZINC001204039994 966863327 /nfs/dbraw/zinc/86/33/27/966863327.db2.gz GJHNWSVEHBZWNI-LLVKDONJSA-N 1 2 236.340 1.555 20 0 BDADLO O=C1C[N@@H+](Cc2ccsc2)C[C@H]2CCCN12 ZINC001204039994 966863331 /nfs/dbraw/zinc/86/33/31/966863331.db2.gz GJHNWSVEHBZWNI-LLVKDONJSA-N 1 2 236.340 1.555 20 0 BDADLO C[C@H]1CCN(Cc2c[nH+]cn2C)CCC1=O ZINC001204383222 966979293 /nfs/dbraw/zinc/97/92/93/966979293.db2.gz BAQCWWRWSPTWOU-JTQLQIEISA-N 1 2 221.304 1.221 20 0 BDADLO CCN(CC(=O)OC)Cc1ccc2[nH+]ccn2c1 ZINC001143035119 966990064 /nfs/dbraw/zinc/99/00/64/966990064.db2.gz CZVNQCWRKQHZKT-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO Nc1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)ccn1 ZINC001168612991 966994286 /nfs/dbraw/zinc/99/42/86/966994286.db2.gz NPJSBPJJRVUVPK-LLVKDONJSA-N 1 2 243.314 1.724 20 0 BDADLO Nc1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)ccn1 ZINC001168612991 966994294 /nfs/dbraw/zinc/99/42/94/966994294.db2.gz NPJSBPJJRVUVPK-LLVKDONJSA-N 1 2 243.314 1.724 20 0 BDADLO Cc1c(F)cccc1C[N@@H+]1CCCNC(=O)C1 ZINC001204508327 967010291 /nfs/dbraw/zinc/01/02/91/967010291.db2.gz OAKGYBOEMVAKJD-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1c(F)cccc1C[N@H+]1CCCNC(=O)C1 ZINC001204508327 967010302 /nfs/dbraw/zinc/01/03/02/967010302.db2.gz OAKGYBOEMVAKJD-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO CS[C@H](C)CCN1CC2(CC[N@@H+]2C)C1 ZINC001276470888 967024941 /nfs/dbraw/zinc/02/49/41/967024941.db2.gz SNMFBCVEHATQAU-SNVBAGLBSA-N 1 2 214.378 1.518 20 0 BDADLO CS[C@H](C)CCN1CC2(CC[N@H+]2C)C1 ZINC001276470888 967024947 /nfs/dbraw/zinc/02/49/47/967024947.db2.gz SNMFBCVEHATQAU-SNVBAGLBSA-N 1 2 214.378 1.518 20 0 BDADLO Nc1ccc2c(cnn2-c2ccc[nH+]c2N)c1 ZINC001212398130 967032099 /nfs/dbraw/zinc/03/20/99/967032099.db2.gz HQXVULXCVFQZSB-UHFFFAOYSA-N 1 2 225.255 1.585 20 0 BDADLO COc1cc(C[NH+]2CC3(COC3)C2)ccc1F ZINC001204554746 967047190 /nfs/dbraw/zinc/04/71/90/967047190.db2.gz IIGJCXJMQWDKGP-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO Cc1cc(-n2nc3cnccc3c2N)c[nH+]c1N ZINC001249779184 967052495 /nfs/dbraw/zinc/05/24/95/967052495.db2.gz RGRALUZXQRYQSH-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1cc(-n2nc3ncccc3c2N)c[nH+]c1N ZINC001249781412 967055263 /nfs/dbraw/zinc/05/52/63/967055263.db2.gz CYGUELWSBGKCLC-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1cc(-n2cc(N)c(Cl)n2)c[nH+]c1N ZINC001249785835 967065191 /nfs/dbraw/zinc/06/51/91/967065191.db2.gz FOHVFVFANWVMFT-UHFFFAOYSA-N 1 2 223.667 1.394 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001204576376 967067559 /nfs/dbraw/zinc/06/75/59/967067559.db2.gz MNWGHSQGJLDDEF-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001204576376 967067574 /nfs/dbraw/zinc/06/75/74/967067574.db2.gz MNWGHSQGJLDDEF-SNVBAGLBSA-N 1 2 235.331 1.530 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(F)(F)CC[C@H]1CO ZINC001204587655 967075650 /nfs/dbraw/zinc/07/56/50/967075650.db2.gz IDEUTWNCPMIETF-VIFPVBQESA-N 1 2 245.273 1.310 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)C[C@H]1C ZINC001204587930 967076058 /nfs/dbraw/zinc/07/60/58/967076058.db2.gz NYJCVXJJEQPDAP-MRVPVSSYSA-N 1 2 207.277 1.272 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001204601791 967097941 /nfs/dbraw/zinc/09/79/41/967097941.db2.gz NLRZAKDOWAHSST-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001204601791 967097952 /nfs/dbraw/zinc/09/79/52/967097952.db2.gz NLRZAKDOWAHSST-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO Cc1cc(CCCCCC(N)=O)cc[nH+]1 ZINC001250268582 967585456 /nfs/dbraw/zinc/58/54/56/967585456.db2.gz GRLGTQZRJIBEBQ-UHFFFAOYSA-N 1 2 206.289 1.978 20 0 BDADLO CC1(O)C[NH+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168714497 967603133 /nfs/dbraw/zinc/60/31/33/967603133.db2.gz BQECHBVRRBTHPI-JTQLQIEISA-N 1 2 237.730 1.874 20 0 BDADLO CC(C)n1cc(CCn2cc[nH+]c2)cn1 ZINC001250318303 967687399 /nfs/dbraw/zinc/68/73/99/967687399.db2.gz AQJHPGMEZFRHHZ-UHFFFAOYSA-N 1 2 204.277 1.903 20 0 BDADLO COc1cccc(CCn2cc[nH+]c2)n1 ZINC001250319531 967693334 /nfs/dbraw/zinc/69/33/34/967693334.db2.gz UJGCADFAQPYJIL-UHFFFAOYSA-N 1 2 203.245 1.529 20 0 BDADLO Cc1cc(CO)ccc1CCn1cc[nH+]c1 ZINC001250319094 967695318 /nfs/dbraw/zinc/69/53/18/967695318.db2.gz AIJIALYYMHFOTF-UHFFFAOYSA-N 1 2 216.284 1.927 20 0 BDADLO Cc1cc(CO)cc(CCn2cc[nH+]c2)c1 ZINC001250318662 967694841 /nfs/dbraw/zinc/69/48/41/967694841.db2.gz JLUPCYMAAXDBKB-UHFFFAOYSA-N 1 2 216.284 1.927 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ncccc2C)C[C@H]1C ZINC001205814199 967835375 /nfs/dbraw/zinc/83/53/75/967835375.db2.gz XBEFXRNFXHUQQZ-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ncccc2C)C[C@H]1C ZINC001205814199 967835377 /nfs/dbraw/zinc/83/53/77/967835377.db2.gz XBEFXRNFXHUQQZ-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1cnccc1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001205828506 967843224 /nfs/dbraw/zinc/84/32/24/967843224.db2.gz YFMXAMNFVWMBBY-LBPRGKRZSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001205828506 967843229 /nfs/dbraw/zinc/84/32/29/967843229.db2.gz YFMXAMNFVWMBBY-LBPRGKRZSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1ccc(-c2noc(Cn3cc[nH+]c3)n2)nc1 ZINC001212537596 967850974 /nfs/dbraw/zinc/85/09/74/967850974.db2.gz YXXZUHHGZVRTAF-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO Cc1ccncc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212537600 967852057 /nfs/dbraw/zinc/85/20/57/967852057.db2.gz ZFSMHZLTJCTJIT-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)n(C)n1 ZINC001205882930 967870761 /nfs/dbraw/zinc/87/07/61/967870761.db2.gz USASBMMTBQRTRB-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO Cc1cc(C[N@H+]2CCCC(=O)[C@@H](C)C2)n(C)n1 ZINC001205882930 967870762 /nfs/dbraw/zinc/87/07/62/967870762.db2.gz USASBMMTBQRTRB-JTQLQIEISA-N 1 2 235.331 1.530 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1ncnc2nc[nH]c21 ZINC001162656438 967883196 /nfs/dbraw/zinc/88/31/96/967883196.db2.gz VFLLXTWNWZKQGG-UHFFFAOYSA-N 1 2 218.264 1.788 20 0 BDADLO C[NH+]1CC(Oc2n[nH]c3ccc(F)cc32)C1 ZINC001229907257 967923075 /nfs/dbraw/zinc/92/30/75/967923075.db2.gz AACJFUZXTYUDPP-UHFFFAOYSA-N 1 2 221.235 1.395 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@H](C)C2)co1 ZINC001206041554 967999494 /nfs/dbraw/zinc/99/94/94/967999494.db2.gz RNKMGFXXZXGJBX-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@H](C)C2)co1 ZINC001206041554 967999507 /nfs/dbraw/zinc/99/95/07/967999507.db2.gz RNKMGFXXZXGJBX-SECBINFHSA-N 1 2 210.277 1.451 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccnn1 ZINC001533646085 968009621 /nfs/dbraw/zinc/00/96/21/968009621.db2.gz WAFSYTTWRNXEFI-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO CCOC(=O)c1cc(C[N@H+](C)C2CC2)nn1C ZINC001250535444 968041768 /nfs/dbraw/zinc/04/17/68/968041768.db2.gz DPMAJBUFTWOAQB-UHFFFAOYSA-N 1 2 237.303 1.191 20 0 BDADLO CCOC(=O)c1cc(C[N@@H+](C)C2CC2)nn1C ZINC001250535444 968041778 /nfs/dbraw/zinc/04/17/78/968041778.db2.gz DPMAJBUFTWOAQB-UHFFFAOYSA-N 1 2 237.303 1.191 20 0 BDADLO CCOC(=O)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001206073809 968043814 /nfs/dbraw/zinc/04/38/14/968043814.db2.gz DXDFJROFDWPCSJ-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001206073809 968043823 /nfs/dbraw/zinc/04/38/23/968043823.db2.gz DXDFJROFDWPCSJ-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001206073810 968044057 /nfs/dbraw/zinc/04/40/57/968044057.db2.gz DXDFJROFDWPCSJ-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001206073810 968044065 /nfs/dbraw/zinc/04/40/65/968044065.db2.gz DXDFJROFDWPCSJ-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cnn(C)c1 ZINC001118427979 968151670 /nfs/dbraw/zinc/15/16/70/968151670.db2.gz PFTDWCBOSBROBH-ATZCPNFKSA-N 1 2 246.318 1.368 20 0 BDADLO C[C@@H](OC1C[NH+](C)C1)C(=O)OC(C)(C)C ZINC001206241057 968162496 /nfs/dbraw/zinc/16/24/96/968162496.db2.gz CJUGRRBSHWHSNL-MRVPVSSYSA-N 1 2 215.293 1.047 20 0 BDADLO C[NH+]1CC(OCc2ccc3c(c2)OCO3)C1 ZINC001206258379 968178489 /nfs/dbraw/zinc/17/84/89/968178489.db2.gz JNXJKNYGLPDNMJ-UHFFFAOYSA-N 1 2 221.256 1.246 20 0 BDADLO O[C@@H](C[N@@H+]1CCc2occc2C1)C(F)(F)F ZINC001250977430 968232081 /nfs/dbraw/zinc/23/20/81/968232081.db2.gz YFUVCBINKZNRMC-VIFPVBQESA-N 1 2 235.205 1.561 20 0 BDADLO O[C@@H](C[N@H+]1CCc2occc2C1)C(F)(F)F ZINC001250977430 968232092 /nfs/dbraw/zinc/23/20/92/968232092.db2.gz YFUVCBINKZNRMC-VIFPVBQESA-N 1 2 235.205 1.561 20 0 BDADLO Cn1nccc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001206355565 968254150 /nfs/dbraw/zinc/25/41/50/968254150.db2.gz ROKRBRALWOJVGH-VIFPVBQESA-N 1 2 241.335 1.450 20 0 BDADLO C[C@@H](CCO)Nc1ccc2c([nH+]1)CCOC2 ZINC001165867468 968299000 /nfs/dbraw/zinc/29/90/00/968299000.db2.gz OYOCVEYZKJOZSN-VIFPVBQESA-N 1 2 222.288 1.337 20 0 BDADLO CC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001251811483 968344646 /nfs/dbraw/zinc/34/46/46/968344646.db2.gz QUAUYYPJFFLCPS-MNOVXSKESA-N 1 2 229.320 1.079 20 0 BDADLO C[C@H](O)CNc1ccccc1-n1cc[nH+]c1 ZINC001251953084 968388314 /nfs/dbraw/zinc/38/83/14/968388314.db2.gz QKPFCAFELQYTCT-JTQLQIEISA-N 1 2 217.272 1.665 20 0 BDADLO COc1cccnc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001206619921 968422126 /nfs/dbraw/zinc/42/21/26/968422126.db2.gz LZCXOOYEXGIYKT-DCAQKATOSA-N 1 2 236.290 1.880 20 0 BDADLO COc1cccnc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001206619921 968422130 /nfs/dbraw/zinc/42/21/30/968422130.db2.gz LZCXOOYEXGIYKT-DCAQKATOSA-N 1 2 236.290 1.880 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(CO)on1 ZINC001119622735 968439270 /nfs/dbraw/zinc/43/92/70/968439270.db2.gz UJMDYLAXUBNOPG-VHSXEESVSA-N 1 2 247.298 1.974 20 0 BDADLO Oc1cc2c(cc1OC1CCOCC1)CC[NH+]=C2 ZINC001230915216 968489263 /nfs/dbraw/zinc/48/92/63/968489263.db2.gz OMUBKLXRJLFBMB-UHFFFAOYSA-N 1 2 247.294 1.925 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164121790 968509530 /nfs/dbraw/zinc/50/95/30/968509530.db2.gz FWTFRURIJFNEFJ-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO Cc1ncsc1C[N@H+]1CCCN(C)C(=O)C1 ZINC001206989801 968527431 /nfs/dbraw/zinc/52/74/31/968527431.db2.gz MUTLYBHNQFZATI-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC001206989801 968527435 /nfs/dbraw/zinc/52/74/35/968527435.db2.gz MUTLYBHNQFZATI-UHFFFAOYSA-N 1 2 239.344 1.116 20 0 BDADLO COc1cncc(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001206990087 968528547 /nfs/dbraw/zinc/52/85/47/968528547.db2.gz ZEERFIDBBVJXLC-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO O=c1[nH]cccc1C[N@@H+]1Cc2ccncc2C1 ZINC001207005265 968540261 /nfs/dbraw/zinc/54/02/61/968540261.db2.gz HGHDCYFAVHAFSO-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO O=c1[nH]cccc1C[N@H+]1Cc2ccncc2C1 ZINC001207005265 968540263 /nfs/dbraw/zinc/54/02/63/968540263.db2.gz HGHDCYFAVHAFSO-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO c1cnc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)nc1 ZINC001207012913 968548577 /nfs/dbraw/zinc/54/85/77/968548577.db2.gz USLOLFNZVRCXIJ-NEPJUHHUSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)nc1 ZINC001207012913 968548581 /nfs/dbraw/zinc/54/85/81/968548581.db2.gz USLOLFNZVRCXIJ-NEPJUHHUSA-N 1 2 233.315 1.478 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1ccc(F)cn1)C2 ZINC001207037269 968567841 /nfs/dbraw/zinc/56/78/41/968567841.db2.gz VARRESHROYHNAU-UHFFFAOYSA-N 1 2 222.263 1.177 20 0 BDADLO c1nc(C[N@@H+]2CC[C@H]3OCC[C@H]32)n2ccccc12 ZINC001207050540 968578426 /nfs/dbraw/zinc/57/84/26/968578426.db2.gz PYRLLSVHEULWOA-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO c1nc(C[N@H+]2CC[C@H]3OCC[C@H]32)n2ccccc12 ZINC001207050540 968578430 /nfs/dbraw/zinc/57/84/30/968578430.db2.gz PYRLLSVHEULWOA-CHWSQXEVSA-N 1 2 243.310 1.698 20 0 BDADLO c1nc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)n2ccccc12 ZINC001207058391 968583436 /nfs/dbraw/zinc/58/34/36/968583436.db2.gz WVFAVMCGFKUZFZ-WCQYABFASA-N 1 2 243.310 1.555 20 0 BDADLO c1nc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)n2ccccc12 ZINC001207058391 968583451 /nfs/dbraw/zinc/58/34/51/968583451.db2.gz WVFAVMCGFKUZFZ-WCQYABFASA-N 1 2 243.310 1.555 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC001207062107 968586148 /nfs/dbraw/zinc/58/61/48/968586148.db2.gz ZZKRDVKHUKSCMJ-PHIMTYICSA-N 1 2 237.372 1.730 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC001207062107 968586152 /nfs/dbraw/zinc/58/61/52/968586152.db2.gz ZZKRDVKHUKSCMJ-PHIMTYICSA-N 1 2 237.372 1.730 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2cccc(=O)[nH]2)C[C@@H]1F ZINC001207065292 968596344 /nfs/dbraw/zinc/59/63/44/968596344.db2.gz NDUPISMSTNNVHD-CMPLNLGQSA-N 1 2 240.278 1.082 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2cccc(=O)[nH]2)C[C@@H]1F ZINC001207065292 968596354 /nfs/dbraw/zinc/59/63/54/968596354.db2.gz NDUPISMSTNNVHD-CMPLNLGQSA-N 1 2 240.278 1.082 20 0 BDADLO CCc1nccc(C[NH+]2CC3(CSC3)C2)n1 ZINC001207089234 968623498 /nfs/dbraw/zinc/62/34/98/968623498.db2.gz IOGHAGZOEVGIGN-UHFFFAOYSA-N 1 2 235.356 1.588 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207097189 968628439 /nfs/dbraw/zinc/62/84/39/968628439.db2.gz MLVZVEFJXMBTOQ-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207097189 968628445 /nfs/dbraw/zinc/62/84/45/968628445.db2.gz MLVZVEFJXMBTOQ-GFCCVEGCSA-N 1 2 242.269 1.707 20 0 BDADLO C[N@H+](Cc1ncc(F)cc1F)[C@H]1CCOC1 ZINC001207097493 968629994 /nfs/dbraw/zinc/62/99/94/968629994.db2.gz RGMDFUHOXLAKMH-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO C[N@@H+](Cc1ncc(F)cc1F)[C@H]1CCOC1 ZINC001207097493 968630000 /nfs/dbraw/zinc/63/00/00/968630000.db2.gz RGMDFUHOXLAKMH-VIFPVBQESA-N 1 2 228.242 1.581 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1F ZINC001207155706 968667526 /nfs/dbraw/zinc/66/75/26/968667526.db2.gz ZIIXROFTLKXSGU-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1F ZINC001207155706 968667533 /nfs/dbraw/zinc/66/75/33/968667533.db2.gz ZIIXROFTLKXSGU-NWDGAFQWSA-N 1 2 224.279 1.559 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001207163864 968669458 /nfs/dbraw/zinc/66/94/58/968669458.db2.gz QWBWSLFWBCKJHK-PSASIEDQSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](F)C[C@H]2C)n1 ZINC001207163864 968669467 /nfs/dbraw/zinc/66/94/67/968669467.db2.gz QWBWSLFWBCKJHK-PSASIEDQSA-N 1 2 209.268 1.717 20 0 BDADLO C=Cc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001240829424 968714250 /nfs/dbraw/zinc/71/42/50/968714250.db2.gz IUQZMBLUDCVPKG-UHFFFAOYSA-N 1 2 200.245 1.922 20 0 BDADLO CC(=O)CCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000828026336 968747366 /nfs/dbraw/zinc/74/73/66/968747366.db2.gz MAYPTIGEXRRWEG-UHFFFAOYSA-N 1 2 223.276 1.012 20 0 BDADLO COc1ccccc1CC[NH+]1CC(OC)C1 ZINC001207453375 968774869 /nfs/dbraw/zinc/77/48/69/968774869.db2.gz JDDXJPRZGYSDNS-UHFFFAOYSA-N 1 2 221.300 1.568 20 0 BDADLO COc1ccc(CC[N@@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001207477047 968794370 /nfs/dbraw/zinc/79/43/70/968794370.db2.gz QPGMVRZAZVRKRX-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccc(CC[N@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001207477047 968794380 /nfs/dbraw/zinc/79/43/80/968794380.db2.gz QPGMVRZAZVRKRX-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO Fc1ccccc1CC[N@@H+]1CCC12COC2 ZINC001207502023 968806904 /nfs/dbraw/zinc/80/69/04/968806904.db2.gz GXPCIIAECKHHOV-UHFFFAOYSA-N 1 2 221.275 1.843 20 0 BDADLO Fc1ccccc1CC[N@H+]1CCC12COC2 ZINC001207502023 968806908 /nfs/dbraw/zinc/80/69/08/968806908.db2.gz GXPCIIAECKHHOV-UHFFFAOYSA-N 1 2 221.275 1.843 20 0 BDADLO COC1(C[NH2+][C@]2(C)CC(C)(C)OC2=O)CCC1 ZINC001207502213 968808385 /nfs/dbraw/zinc/80/83/85/968808385.db2.gz RMGYPDCIIPXVLW-GFCCVEGCSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H]1CNC(=O)C[N@@H+]1CCc1ccc(F)cc1 ZINC001207517472 968813874 /nfs/dbraw/zinc/81/38/74/968813874.db2.gz SKUJUUHXULBOFG-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@@H]1CNC(=O)C[N@H+]1CCc1ccc(F)cc1 ZINC001207517472 968813884 /nfs/dbraw/zinc/81/38/84/968813884.db2.gz SKUJUUHXULBOFG-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO O=C1C[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CCO1 ZINC001207631546 968848651 /nfs/dbraw/zinc/84/86/51/968848651.db2.gz JAKTVWCVMIDVOC-HBNTYKKESA-N 1 2 207.273 1.057 20 0 BDADLO O=C1C[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CCO1 ZINC001207631546 968848655 /nfs/dbraw/zinc/84/86/55/968848655.db2.gz JAKTVWCVMIDVOC-HBNTYKKESA-N 1 2 207.273 1.057 20 0 BDADLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@@H]1CC12CC2 ZINC001085842323 968860965 /nfs/dbraw/zinc/86/09/65/968860965.db2.gz QDMWPZAWFVAKAP-MNOVXSKESA-N 1 2 240.322 1.289 20 0 BDADLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@@H]1CC12CC2 ZINC001085842323 968860969 /nfs/dbraw/zinc/86/09/69/968860969.db2.gz QDMWPZAWFVAKAP-MNOVXSKESA-N 1 2 240.322 1.289 20 0 BDADLO CC(C)=CC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108235818 968925410 /nfs/dbraw/zinc/92/54/10/968925410.db2.gz RDBMZIGJYFNOTJ-JTQLQIEISA-N 1 2 248.330 1.668 20 0 BDADLO Nc1cc(-c2cnc3c(c2)CCC(=O)N3)cc[nH+]1 ZINC001241161966 968939590 /nfs/dbraw/zinc/93/95/90/968939590.db2.gz CRCLCNYJVGPKSP-UHFFFAOYSA-N 1 2 240.266 1.611 20 0 BDADLO CCC[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252779744 968952251 /nfs/dbraw/zinc/95/22/51/968952251.db2.gz UEFPPFSDKKGXIN-KOLCDFICSA-N 1 2 224.304 1.708 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001252799478 968980857 /nfs/dbraw/zinc/98/08/57/968980857.db2.gz WDWGUVXVFKVWOJ-AXFHLTTASA-N 1 2 231.336 1.325 20 0 BDADLO CCC[C@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252799753 968986657 /nfs/dbraw/zinc/98/66/57/968986657.db2.gz ZPZIFDWQEXCHJM-VIFPVBQESA-N 1 2 227.308 1.444 20 0 BDADLO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCOC(=O)C2)CC1 ZINC001208166912 969099114 /nfs/dbraw/zinc/09/91/14/969099114.db2.gz CVNURKUUZFYJKF-NWDGAFQWSA-N 1 2 223.316 1.838 20 0 BDADLO CC1=C[C@H](C)[C@@H](C[N@H+]2CCOC(=O)C2)CC1 ZINC001208166912 969099120 /nfs/dbraw/zinc/09/91/20/969099120.db2.gz CVNURKUUZFYJKF-NWDGAFQWSA-N 1 2 223.316 1.838 20 0 BDADLO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCOC(=O)C2)CC1 ZINC001208166910 969100835 /nfs/dbraw/zinc/10/08/35/969100835.db2.gz CVNURKUUZFYJKF-NEPJUHHUSA-N 1 2 223.316 1.838 20 0 BDADLO CC1=C[C@@H](C)[C@H](C[N@H+]2CCOC(=O)C2)CC1 ZINC001208166910 969100840 /nfs/dbraw/zinc/10/08/40/969100840.db2.gz CVNURKUUZFYJKF-NEPJUHHUSA-N 1 2 223.316 1.838 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC001253448070 969176969 /nfs/dbraw/zinc/17/69/69/969176969.db2.gz HZEDJUIQQNKHAW-ZYHUDNBSSA-N 1 2 243.347 1.216 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1C[C@@H](O)COC(C)(C)C ZINC001253448070 969176977 /nfs/dbraw/zinc/17/69/77/969176977.db2.gz HZEDJUIQQNKHAW-ZYHUDNBSSA-N 1 2 243.347 1.216 20 0 BDADLO CNc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001242070313 969196323 /nfs/dbraw/zinc/19/63/23/969196323.db2.gz ZZNDSHLKPCGIMD-UHFFFAOYSA-N 1 2 200.245 1.768 20 0 BDADLO CCCCC[C@@H](O)C[N@H+](C)Cc1ncccn1 ZINC001253519748 969197474 /nfs/dbraw/zinc/19/74/74/969197474.db2.gz RNDADQQRMKMHEL-GFCCVEGCSA-N 1 2 237.347 1.850 20 0 BDADLO CCCCC[C@@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001253519748 969197477 /nfs/dbraw/zinc/19/74/77/969197477.db2.gz RNDADQQRMKMHEL-GFCCVEGCSA-N 1 2 237.347 1.850 20 0 BDADLO COc1c(C)ncnc1-c1c[nH+]c(N)cc1C ZINC001242077768 969200312 /nfs/dbraw/zinc/20/03/12/969200312.db2.gz KBSNPMRANLDNSZ-UHFFFAOYSA-N 1 2 230.271 1.746 20 0 BDADLO CNc1ccc(NC2COC(C)(C)OC2)c[nH+]1 ZINC001168910489 969266398 /nfs/dbraw/zinc/26/63/98/969266398.db2.gz XOURIFHVCNUERO-UHFFFAOYSA-N 1 2 237.303 1.687 20 0 BDADLO FC1(F)COC2(C[NH+](C[C@@H]3CCC=CO3)C2)C1 ZINC001208883088 969270374 /nfs/dbraw/zinc/27/03/74/969270374.db2.gz RYSFCOFWQFNHBX-JTQLQIEISA-N 1 2 245.269 1.789 20 0 BDADLO C[C@@H](c1nc(-c2ccccn2)no1)n1cc[nH+]c1 ZINC000349796507 969315754 /nfs/dbraw/zinc/31/57/54/969315754.db2.gz MSPDOAPUDMJOLF-VIFPVBQESA-N 1 2 241.254 1.937 20 0 BDADLO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCC[C@@H](F)C1 ZINC001253682803 969329053 /nfs/dbraw/zinc/32/90/53/969329053.db2.gz VITJUAOBOGBLGP-NXEZZACHSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCC[C@@H](F)C1 ZINC001253682803 969329058 /nfs/dbraw/zinc/32/90/58/969329058.db2.gz VITJUAOBOGBLGP-NXEZZACHSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001253756316 969374926 /nfs/dbraw/zinc/37/49/26/969374926.db2.gz DAOXPNAJXIOVDO-MWLCHTKSSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001253756316 969374934 /nfs/dbraw/zinc/37/49/34/969374934.db2.gz DAOXPNAJXIOVDO-MWLCHTKSSA-N 1 2 217.284 1.006 20 0 BDADLO Cc1cc(NCC2OCCO2)ccc1[NH+](C)C ZINC001169065859 969378678 /nfs/dbraw/zinc/37/86/78/969378678.db2.gz MHTHQUGRCUCWAP-UHFFFAOYSA-N 1 2 236.315 1.846 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H](O)C(C)C ZINC001253778214 969399115 /nfs/dbraw/zinc/39/91/15/969399115.db2.gz JAPMJZUYQKPLTK-VXGBXAGGSA-N 1 2 245.363 1.571 20 0 BDADLO COc1cncc(CCNc2cc[nH+]cc2F)c1 ZINC001169264506 969521857 /nfs/dbraw/zinc/52/18/57/969521857.db2.gz PDGKMGIDDLBMTD-UHFFFAOYSA-N 1 2 247.273 1.701 20 0 BDADLO Cc1n[nH]cc1C[NH+]1CC(C(F)F)C1 ZINC001209559753 969544739 /nfs/dbraw/zinc/54/47/39/969544739.db2.gz DQXJASUKWVYHGE-UHFFFAOYSA-N 1 2 201.220 1.415 20 0 BDADLO Nc1[nH+]c(NCC2(CO)CCC2)ccc1Cl ZINC001156279834 969552469 /nfs/dbraw/zinc/55/24/69/969552469.db2.gz MEBFKYDRWXBRJK-UHFFFAOYSA-N 1 2 241.722 1.892 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)[nH]1 ZINC001209574891 969557801 /nfs/dbraw/zinc/55/78/01/969557801.db2.gz YQYNTWVWOAGYHE-LLVKDONJSA-N 1 2 207.321 1.459 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)[C@H](C)C2)[nH]1 ZINC001209574891 969557811 /nfs/dbraw/zinc/55/78/11/969557811.db2.gz YQYNTWVWOAGYHE-LLVKDONJSA-N 1 2 207.321 1.459 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCCOC1 ZINC001254367174 969578021 /nfs/dbraw/zinc/57/80/21/969578021.db2.gz CUEMGKNNNRWUCE-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO Nc1cncc(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209842222 969651900 /nfs/dbraw/zinc/65/19/00/969651900.db2.gz GBDAMTCNIPOIDP-UHFFFAOYSA-N 1 2 226.243 1.679 20 0 BDADLO C[NH+]1CC(OCc2ccc3nonc3c2)C1 ZINC001209858218 969669361 /nfs/dbraw/zinc/66/93/61/969669361.db2.gz MADZFTGYKWZMRB-UHFFFAOYSA-N 1 2 219.244 1.053 20 0 BDADLO COc1cc(Nc2ccnnc2)cc(C)[nH+]1 ZINC001209958372 969718476 /nfs/dbraw/zinc/71/84/76/969718476.db2.gz CKBPHQFCXPJNJF-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO COC(=O)c1n[nH]cc1Nc1c[nH+]cc(C)c1C ZINC001169575394 969772055 /nfs/dbraw/zinc/77/20/55/969772055.db2.gz MPXDJHAYJZZLNE-UHFFFAOYSA-N 1 2 246.270 1.952 20 0 BDADLO C[C@@H](OCC[NH+]1CCOCC1)C1CCCC1 ZINC001210225288 969838836 /nfs/dbraw/zinc/83/88/36/969838836.db2.gz QPHXZMAMFOAGKT-GFCCVEGCSA-N 1 2 227.348 1.914 20 0 BDADLO C=CC(=O)NCCNc1ccc2[nH+]cn(C)c2c1 ZINC001169804683 969851003 /nfs/dbraw/zinc/85/10/03/969851003.db2.gz MJKDIZVBHRBKLP-UHFFFAOYSA-N 1 2 244.298 1.287 20 0 BDADLO Cc1[nH+]cc(Nc2cnn(C)c2)cc1N ZINC001210286247 969853320 /nfs/dbraw/zinc/85/33/20/969853320.db2.gz YXDKWPJVQFIMPK-UHFFFAOYSA-N 1 2 203.249 1.449 20 0 BDADLO CCOc1nccnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287622 969854212 /nfs/dbraw/zinc/85/42/12/969854212.db2.gz YHUIHXMZQCNQCB-UHFFFAOYSA-N 1 2 245.286 1.905 20 0 BDADLO COc1cncc(Nc2c[nH+]c(C)c(N)c2)n1 ZINC001210286654 969855191 /nfs/dbraw/zinc/85/51/91/969855191.db2.gz BYVJIQARNIYQIJ-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO Cc1[nH+]cc(Nc2ncccc2CCO)cc1N ZINC001210288938 969857314 /nfs/dbraw/zinc/85/73/14/969857314.db2.gz XJMDCPQWUIBYEG-UHFFFAOYSA-N 1 2 244.298 1.646 20 0 BDADLO Cc1[nH+]cc(Nc2ccccc2C(N)=O)cc1N ZINC001210287954 969857773 /nfs/dbraw/zinc/85/77/73/969857773.db2.gz ITHZONZAHCZPCR-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO Cc1[nH+]cc(Nc2ccc(C(N)=O)cc2)cc1N ZINC001210288897 969858031 /nfs/dbraw/zinc/85/80/31/969858031.db2.gz WOINAPBTGXPPHI-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO CCCCCCOC(=O)C[NH2+]C1CCOCC1 ZINC001255036119 969860109 /nfs/dbraw/zinc/86/01/09/969860109.db2.gz UGEBOMRLKXKHEV-UHFFFAOYSA-N 1 2 243.347 1.879 20 0 BDADLO C=CC(=O)NCCNc1ccc([NH+](C)C)c(C)c1 ZINC001169814675 969866361 /nfs/dbraw/zinc/86/63/61/969866361.db2.gz WDLKWFYZHKSEFL-UHFFFAOYSA-N 1 2 247.342 1.775 20 0 BDADLO C[NH+]1CC(OCCOCc2ccccc2)C1 ZINC001210497063 969906835 /nfs/dbraw/zinc/90/68/35/969906835.db2.gz NVVZKTUGPGTYJT-UHFFFAOYSA-N 1 2 221.300 1.534 20 0 BDADLO COc1cc[nH+]cc1Nc1ccnc(C(C)=O)c1 ZINC001210590665 969965605 /nfs/dbraw/zinc/96/56/05/969965605.db2.gz YCMHZBWKZUNGJZ-UHFFFAOYSA-N 1 2 243.266 1.853 20 0 BDADLO CCOc1ccc(NCc2cc[nH+]c(N)c2)nn1 ZINC001156755691 969993919 /nfs/dbraw/zinc/99/39/19/969993919.db2.gz ILNGRHIRMBGGPK-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCSC2)CCCC1 ZINC001255269884 970020315 /nfs/dbraw/zinc/02/03/15/970020315.db2.gz QOLBVHBNUKDZEH-SECBINFHSA-N 1 2 229.345 1.567 20 0 BDADLO COc1cc(-n2cc(N)cn2)cc(C)[nH+]1 ZINC001210776427 970027410 /nfs/dbraw/zinc/02/74/10/970027410.db2.gz PDXGYNJKNRTVMT-UHFFFAOYSA-N 1 2 204.233 1.167 20 0 BDADLO [NH2+]=CNc1ccc(Cn2ccccc2=O)cn1 ZINC001157080160 970081495 /nfs/dbraw/zinc/08/14/95/970081495.db2.gz QBBGVVAJERVGLY-UHFFFAOYSA-N 1 2 228.255 1.311 20 0 BDADLO COc1ccc2nc(NC=[NH2+])c(C)nc2c1 ZINC001157080512 970082421 /nfs/dbraw/zinc/08/24/21/970082421.db2.gz YHIBTTXCCJFJSJ-UHFFFAOYSA-N 1 2 216.244 1.966 20 0 BDADLO OC1C[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000291433422 970173125 /nfs/dbraw/zinc/17/31/25/970173125.db2.gz JOUMPFCTEAFGPF-UHFFFAOYSA-N 1 2 240.306 1.925 20 0 BDADLO Cc1ccc(-c2n[nH]cc2C[NH+]2CC(O)C2)cc1 ZINC000291433413 970173818 /nfs/dbraw/zinc/17/38/18/970173818.db2.gz JOLCTCFXWDQZSY-UHFFFAOYSA-N 1 2 243.310 1.562 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCOC[C@@H]2C)c1C ZINC000091810303 970268175 /nfs/dbraw/zinc/26/81/75/970268175.db2.gz QMHJJFRXYGBXFT-JTQLQIEISA-N 1 2 237.347 1.741 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCOC[C@@H]2C)c1C ZINC000091810303 970268183 /nfs/dbraw/zinc/26/81/83/970268183.db2.gz QMHJJFRXYGBXFT-JTQLQIEISA-N 1 2 237.347 1.741 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C1(F)C[NH2+]C1 ZINC001157451048 970308815 /nfs/dbraw/zinc/30/88/15/970308815.db2.gz JTDMLVIILICBHV-RKDXNWHRSA-N 1 2 214.284 1.087 20 0 BDADLO Cc1cc(C)c(Nc2ccnc(C(N)=O)c2)c[nH+]1 ZINC001213508498 970332789 /nfs/dbraw/zinc/33/27/89/970332789.db2.gz UXZJASFJEFTSJW-UHFFFAOYSA-N 1 2 242.282 1.358 20 0 BDADLO Cc1cc(C)c(Nc2cnn(C)n2)c[nH+]1 ZINC001213508370 970334170 /nfs/dbraw/zinc/33/41/70/970334170.db2.gz REGIOXZOBNUFFW-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO Cc1c[nH+]cc(Nc2cnc(C(N)=O)nc2)c1C ZINC001213527343 970349062 /nfs/dbraw/zinc/34/90/62/970349062.db2.gz GZIFKFGQQMBRFD-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO COC[C@H](C)[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001255578141 970377201 /nfs/dbraw/zinc/37/72/01/970377201.db2.gz DZWFIUYDALKDPY-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H](C)[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001255578141 970377211 /nfs/dbraw/zinc/37/72/11/970377211.db2.gz DZWFIUYDALKDPY-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@H]2CC2(F)F)CCO1 ZINC001170164301 970518446 /nfs/dbraw/zinc/51/84/46/970518446.db2.gz HPYITBDKUPOBCE-HLTSFMKQSA-N 1 2 205.248 1.941 20 0 BDADLO CC(C)(C)C(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000179984190 970528818 /nfs/dbraw/zinc/52/88/18/970528818.db2.gz GHRMVHZSECNNMK-UHFFFAOYSA-N 1 2 249.358 1.705 20 0 BDADLO C[C@@H]1C[C@H](C)CCN(c2cc(N)nc[nH+]2)C1 ZINC000723821014 970605240 /nfs/dbraw/zinc/60/52/40/970605240.db2.gz YAUVWXPXHGHZCF-NXEZZACHSA-N 1 2 220.320 1.931 20 0 BDADLO Cc1noc(CC[NH2+][C@@H]2CCCc3[nH]ncc32)n1 ZINC000401529820 970700924 /nfs/dbraw/zinc/70/09/24/970700924.db2.gz AJAWPKOQXNETCQ-SNVBAGLBSA-N 1 2 247.302 1.311 20 0 BDADLO CC1=C[C@H](OCc2c[nH+]cn2C)CC(=O)O1 ZINC001222595218 972594487 /nfs/dbraw/zinc/59/44/87/972594487.db2.gz UBMSFJUSDXQEEF-JTQLQIEISA-N 1 2 222.244 1.156 20 0 BDADLO CC(C)C[C@@H](O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144165264 972620877 /nfs/dbraw/zinc/62/08/77/972620877.db2.gz IKTFSKBCURCFLX-SNVBAGLBSA-N 1 2 247.298 1.680 20 0 BDADLO C[C@H]([NH2+]Cc1ncn[nH]1)C1CCC(F)CC1 ZINC001327588684 972656887 /nfs/dbraw/zinc/65/68/87/972656887.db2.gz QWRXEHPERKCCET-IDKOKCKLSA-N 1 2 226.299 1.811 20 0 BDADLO O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NCCn1cc[nH+]c1 ZINC001144288456 972749244 /nfs/dbraw/zinc/74/92/44/972749244.db2.gz YOYSYDAVYTXXJT-FRRDWIJNSA-N 1 2 247.342 1.826 20 0 BDADLO C[C@@H](C1CC1)[N@H+](Cc1nnc[nH]1)C1CC1 ZINC001327865799 972768370 /nfs/dbraw/zinc/76/83/70/972768370.db2.gz SJALAUCRJNGGHR-QMMMGPOBSA-N 1 2 206.293 1.568 20 0 BDADLO C[C@@H](C1CC1)[N@@H+](Cc1nnc[nH]1)C1CC1 ZINC001327865799 972768383 /nfs/dbraw/zinc/76/83/83/972768383.db2.gz SJALAUCRJNGGHR-QMMMGPOBSA-N 1 2 206.293 1.568 20 0 BDADLO CS[C@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327870135 972770974 /nfs/dbraw/zinc/77/09/74/972770974.db2.gz CVUOFGOYRKBHBO-VIFPVBQESA-N 1 2 226.349 1.522 20 0 BDADLO CS[C@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327870135 972770979 /nfs/dbraw/zinc/77/09/79/972770979.db2.gz CVUOFGOYRKBHBO-VIFPVBQESA-N 1 2 226.349 1.522 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)nc1 ZINC001144420024 972814011 /nfs/dbraw/zinc/81/40/11/972814011.db2.gz QADFHPKGGDYYQJ-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO COc1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)nc1 ZINC001144420024 972814016 /nfs/dbraw/zinc/81/40/16/972814016.db2.gz QADFHPKGGDYYQJ-LLVKDONJSA-N 1 2 248.326 1.891 20 0 BDADLO C[C@@H](CC(=O)OC1CCC1)n1cc[nH+]c1 ZINC000845476671 972827624 /nfs/dbraw/zinc/82/76/24/972827624.db2.gz HSVBGMFDASZYNE-VIFPVBQESA-N 1 2 208.261 1.930 20 0 BDADLO CCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091305083 973032349 /nfs/dbraw/zinc/03/23/49/973032349.db2.gz MSYLNWPAMRGJIT-PHIMTYICSA-N 1 2 248.330 1.502 20 0 BDADLO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1nnc[nH]1 ZINC001328410115 973034756 /nfs/dbraw/zinc/03/47/56/973034756.db2.gz KZPABGIZIGARKK-SSDOTTSWSA-N 1 2 236.241 1.871 20 0 BDADLO Cc1cc(COC2C[NH+](C)C2)cc(C)n1 ZINC001223423855 973064090 /nfs/dbraw/zinc/06/40/90/973064090.db2.gz ZZSLJXPQOLKBTL-UHFFFAOYSA-N 1 2 206.289 1.529 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CC=CC2)c1 ZINC001146702254 973198840 /nfs/dbraw/zinc/19/88/40/973198840.db2.gz HOTQECNKJGFBPD-UHFFFAOYSA-N 1 2 219.288 1.045 20 0 BDADLO CCOc1cccc(COC2C[NH+](C)C2)c1 ZINC001223768573 973252323 /nfs/dbraw/zinc/25/23/23/973252323.db2.gz IUVBBOMQSLLVBB-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CC[NH+]1CC(OCc2ncc(C)s2)C1 ZINC001223857322 973304920 /nfs/dbraw/zinc/30/49/20/973304920.db2.gz BLPJLSHSTDYRHP-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO Cn1nc(C2CC2)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001328725600 973307914 /nfs/dbraw/zinc/30/79/14/973307914.db2.gz VRENWSBIHMMZAK-UHFFFAOYSA-N 1 2 245.286 1.202 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CCO1 ZINC001329104950 973484273 /nfs/dbraw/zinc/48/42/73/973484273.db2.gz KAHOVJIIKDJITM-OUAUKWLOSA-N 1 2 249.314 1.259 20 0 BDADLO CCO[C@H](C[NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC001329224098 973571320 /nfs/dbraw/zinc/57/13/20/973571320.db2.gz VTHZPCSCVJTHRZ-LDYMZIIASA-N 1 2 239.319 1.844 20 0 BDADLO Cc1cccc(OCCOC2C[NH+](C)C2)c1 ZINC001224407245 973626361 /nfs/dbraw/zinc/62/63/61/973626361.db2.gz JTIOYLDMITVIJH-UHFFFAOYSA-N 1 2 221.300 1.704 20 0 BDADLO C[NH+](C)Cc1nnc([C@@]23C[C@@H]2COC3(C)C)o1 ZINC001329324176 973681627 /nfs/dbraw/zinc/68/16/27/973681627.db2.gz QBFVHMKEWWSDGP-PRHODGIISA-N 1 2 237.303 1.198 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccno2)c(C(F)F)n1 ZINC001329507092 973804074 /nfs/dbraw/zinc/80/40/74/973804074.db2.gz MSFKMAXDCQIDIQ-UHFFFAOYSA-N 1 2 242.229 1.636 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)OC(C)C ZINC001329597586 973845129 /nfs/dbraw/zinc/84/51/29/973845129.db2.gz SPMGVYUIRRDMOV-GHMZBOCLSA-N 1 2 231.336 1.325 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CC(F)(F)C2)c1 ZINC001329617831 973846024 /nfs/dbraw/zinc/84/60/24/973846024.db2.gz REJDPFOXRKVGEI-UHFFFAOYSA-N 1 2 243.257 1.124 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ncc[nH]1 ZINC001148505350 973852412 /nfs/dbraw/zinc/85/24/12/973852412.db2.gz FOLPRKRXRKQZHZ-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329791842 973937906 /nfs/dbraw/zinc/93/79/06/973937906.db2.gz FHDFEYIXWYWCKH-HBNTYKKESA-N 1 2 249.314 1.008 20 0 BDADLO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329791842 973937922 /nfs/dbraw/zinc/93/79/22/973937922.db2.gz FHDFEYIXWYWCKH-HBNTYKKESA-N 1 2 249.314 1.008 20 0 BDADLO c1n[nH]c(C[NH2+][C@H](Cc2ccccc2)C2CC2)n1 ZINC001329876216 973990769 /nfs/dbraw/zinc/99/07/69/973990769.db2.gz JCOKDFJQPIIZKE-CYBMUJFWSA-N 1 2 242.326 1.916 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2CCC1CC2 ZINC001329904687 974014259 /nfs/dbraw/zinc/01/42/59/974014259.db2.gz MJLVXJDXVMDRSH-XSRFYTQQSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2CCC1CC2 ZINC001329904687 974014271 /nfs/dbraw/zinc/01/42/71/974014271.db2.gz MJLVXJDXVMDRSH-XSRFYTQQSA-N 1 2 247.342 1.989 20 0 BDADLO Cc1nc(NCCNC(=O)C2CCC2)cc[nH+]1 ZINC001093450382 974016290 /nfs/dbraw/zinc/01/62/90/974016290.db2.gz ZEVQSGKFWWVRHU-UHFFFAOYSA-N 1 2 234.303 1.113 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2CCC(=O)CC2)o1 ZINC001329913564 974021988 /nfs/dbraw/zinc/02/19/88/974021988.db2.gz UAXAGKWOZWYWKM-UHFFFAOYSA-N 1 2 237.303 1.569 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2CCC(=O)CC2)o1 ZINC001329913564 974021997 /nfs/dbraw/zinc/02/19/97/974021997.db2.gz UAXAGKWOZWYWKM-UHFFFAOYSA-N 1 2 237.303 1.569 20 0 BDADLO Cc1nc(NCCNC(=O)/C=C\C2CC2)cc[nH+]1 ZINC001093570094 974030196 /nfs/dbraw/zinc/03/01/96/974030196.db2.gz MVFRCRCEUOYUJL-PLNGDYQASA-N 1 2 246.314 1.279 20 0 BDADLO C/C=C(/C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093544646 974031119 /nfs/dbraw/zinc/03/11/19/974031119.db2.gz QHCRAKGORMBOHG-WTKPLQERSA-N 1 2 234.303 1.279 20 0 BDADLO CC(C)=CC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094291785 974065574 /nfs/dbraw/zinc/06/55/74/974065574.db2.gz QBQAZNPBLGAKDY-UHFFFAOYSA-N 1 2 248.330 1.669 20 0 BDADLO CCOC(=[NH2+])CCCCOC[C@H]1CCO1 ZINC001224963107 974102453 /nfs/dbraw/zinc/10/24/53/974102453.db2.gz FXEYXBLOUGAVFR-SNVBAGLBSA-N 1 2 215.293 1.976 20 0 BDADLO CCOC1CC(c2nnc(C[NH+](C)C)o2)C1 ZINC001330100340 974105568 /nfs/dbraw/zinc/10/55/68/974105568.db2.gz OTBIOERSCOKFOC-UHFFFAOYSA-N 1 2 225.292 1.414 20 0 BDADLO OCC(F)(F)C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171780518 974171371 /nfs/dbraw/zinc/17/13/71/974171371.db2.gz LWJISEXEMGZOPT-VIFPVBQESA-N 1 2 245.244 1.510 20 0 BDADLO CC(=O)NC1C[NH+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171804562 974190865 /nfs/dbraw/zinc/19/08/65/974190865.db2.gz GXUUCHXEXSQMEX-GFCCVEGCSA-N 1 2 248.301 1.113 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccncc1 ZINC001204080659 974257030 /nfs/dbraw/zinc/25/70/30/974257030.db2.gz SYKCMDCJERHYIF-MJBXVCDLSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccncc1 ZINC001204080659 974257047 /nfs/dbraw/zinc/25/70/47/974257047.db2.gz SYKCMDCJERHYIF-MJBXVCDLSA-N 1 2 248.326 1.053 20 0 BDADLO COCC(C)(C)N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001330459872 974269290 /nfs/dbraw/zinc/26/92/90/974269290.db2.gz QGRDTSDTXBJCLV-JTQLQIEISA-N 1 2 239.319 1.328 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1nnc[nH]1)C1CCCCC1 ZINC001330546165 974305396 /nfs/dbraw/zinc/30/53/96/974305396.db2.gz CFKYERGBEHWADR-SNVBAGLBSA-N 1 2 238.335 1.320 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1nnc[nH]1)C1CCCCC1 ZINC001330546165 974305411 /nfs/dbraw/zinc/30/54/11/974305411.db2.gz CFKYERGBEHWADR-SNVBAGLBSA-N 1 2 238.335 1.320 20 0 BDADLO CC[C@@H](CC(=O)OC)Oc1cc[nH+]cc1 ZINC001225290719 974362238 /nfs/dbraw/zinc/36/22/38/974362238.db2.gz GYWRBNFDMJXCMN-VIFPVBQESA-N 1 2 209.245 1.802 20 0 BDADLO c1cc2n(c1C[N@@H+]1CCn3cncc3C1)CCC2 ZINC001248823780 974383611 /nfs/dbraw/zinc/38/36/11/974383611.db2.gz LGDHNVCXPPBTAL-UHFFFAOYSA-N 1 2 242.326 1.647 20 0 BDADLO c1cc2n(c1C[N@H+]1CCn3cncc3C1)CCC2 ZINC001248823780 974383618 /nfs/dbraw/zinc/38/36/18/974383618.db2.gz LGDHNVCXPPBTAL-UHFFFAOYSA-N 1 2 242.326 1.647 20 0 BDADLO Cc1nc([C@H](C)Nc2cc[nH+]cc2F)no1 ZINC001330816605 974488781 /nfs/dbraw/zinc/48/87/81/974488781.db2.gz OTRDOCFBRRGCEE-LURJTMIESA-N 1 2 222.223 1.507 20 0 BDADLO CC1(C)C[C@@H]([NH+]2CC(Oc3cccnc3)C2)CO1 ZINC001172287301 974551086 /nfs/dbraw/zinc/55/10/86/974551086.db2.gz SWDHAUHVQJFFOB-LLVKDONJSA-N 1 2 248.326 1.712 20 0 BDADLO C[NH+]1CC(Oc2nccc3ccccc32)C1 ZINC001225751015 974668026 /nfs/dbraw/zinc/66/80/26/974668026.db2.gz WVDHOJRBHOAVFP-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO O=C(CCC(F)F)N[C@H]1CCn2c[nH+]cc2C1 ZINC001331477635 974737486 /nfs/dbraw/zinc/73/74/86/974737486.db2.gz DBRVCWKGUVKRKH-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO CCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)COC1 ZINC001331501492 974742120 /nfs/dbraw/zinc/74/21/20/974742120.db2.gz KUDOFDHVJAOIFM-NXEZZACHSA-N 1 2 249.314 1.056 20 0 BDADLO CCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)COC1 ZINC001331501492 974742126 /nfs/dbraw/zinc/74/21/26/974742126.db2.gz KUDOFDHVJAOIFM-NXEZZACHSA-N 1 2 249.314 1.056 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc(O)ccc2F)C1 ZINC001226126025 974801617 /nfs/dbraw/zinc/80/16/17/974801617.db2.gz GHUXXDIRJAMURP-SNVBAGLBSA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc(O)ccc2F)C1 ZINC001226126025 974801622 /nfs/dbraw/zinc/80/16/22/974801622.db2.gz GHUXXDIRJAMURP-SNVBAGLBSA-N 1 2 241.262 1.241 20 0 BDADLO CC(=O)Nc1ncccc1OC1C[NH+](C(C)C)C1 ZINC001226155085 974810885 /nfs/dbraw/zinc/81/08/85/974810885.db2.gz IBDBMWJDFCZVSX-UHFFFAOYSA-N 1 2 249.314 1.511 20 0 BDADLO OC1C[NH+](Cc2ccc(Nc3cnoc3)cc2)C1 ZINC001212665605 974846689 /nfs/dbraw/zinc/84/66/89/974846689.db2.gz WZXQFHVVJFRHGY-UHFFFAOYSA-N 1 2 245.282 1.595 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3cnoc3c2)C1 ZINC001226450918 974902053 /nfs/dbraw/zinc/90/20/53/974902053.db2.gz JCKMSQDQRAOPOL-LBPRGKRZSA-N 1 2 248.282 1.537 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3cnoc3c2)C1 ZINC001226450918 974902056 /nfs/dbraw/zinc/90/20/56/974902056.db2.gz JCKMSQDQRAOPOL-LBPRGKRZSA-N 1 2 248.282 1.537 20 0 BDADLO COC(=O)[C@H]1CCC[C@H]([NH+]2CC(F)C2)CC1 ZINC001172781585 974939683 /nfs/dbraw/zinc/93/96/83/974939683.db2.gz JKDOLGWGPJRPPG-ONGXEEELSA-N 1 2 229.295 1.762 20 0 BDADLO CO[C@@H]1CCC[C@H]([NH+]2CC(C)(F)C2)C1 ZINC001172931663 974982758 /nfs/dbraw/zinc/98/27/58/974982758.db2.gz PFDZQPOCSRSWDC-VHSXEESVSA-N 1 2 201.285 1.988 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173141157 975045993 /nfs/dbraw/zinc/04/59/93/975045993.db2.gz MTFWCPXBUZLLSE-MRVPVSSYSA-N 1 2 240.328 1.105 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173141157 975046000 /nfs/dbraw/zinc/04/60/00/975046000.db2.gz MTFWCPXBUZLLSE-MRVPVSSYSA-N 1 2 240.328 1.105 20 0 BDADLO CCc1ccc(C[C@@H](C)[NH2+]CC(=O)OC)cc1 ZINC001173235167 975076761 /nfs/dbraw/zinc/07/67/61/975076761.db2.gz KDZZOLZECVZFDO-LLVKDONJSA-N 1 2 235.327 1.943 20 0 BDADLO CCCC[C@H](CC(C)C)[NH2+][C@H](CO)C(=O)OC ZINC001173247555 975084877 /nfs/dbraw/zinc/08/48/77/975084877.db2.gz WQHPIZIDKNAFTN-VXGBXAGGSA-N 1 2 245.363 1.715 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001332400624 975095179 /nfs/dbraw/zinc/09/51/79/975095179.db2.gz IOSPWNSEEWECSQ-ANRSDYALSA-N 1 2 229.305 1.088 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1cncc(F)c1 ZINC001226843853 975117626 /nfs/dbraw/zinc/11/76/26/975117626.db2.gz QBNTVYXTBQAYFW-SNVBAGLBSA-N 1 2 240.278 1.320 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](CC)C1)[C@@H](C)O ZINC001173267562 975132156 /nfs/dbraw/zinc/13/21/56/975132156.db2.gz SDLJVTYTCVEXDR-WYUUTHIRSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC001332459255 975142317 /nfs/dbraw/zinc/14/23/17/975142317.db2.gz LNEQWYPTPNNGSC-WCBMZHEXSA-N 1 2 246.318 1.325 20 0 BDADLO CC[C@@H]1CC[C@@H]([NH2+][C@@]2(C(=O)OC)CCOC2)C1 ZINC001173274343 975155722 /nfs/dbraw/zinc/15/57/22/975155722.db2.gz INGIZBVGXVRCKU-WZRBSPASSA-N 1 2 241.331 1.487 20 0 BDADLO COC/C(C)=C/C[NH2+][C@H](C)c1nnc(C)o1 ZINC001332888082 975310612 /nfs/dbraw/zinc/31/06/12/975310612.db2.gz ZBFHVQQXTQPVEU-WHXYTISESA-N 1 2 225.292 1.621 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001332917965 975320163 /nfs/dbraw/zinc/32/01/63/975320163.db2.gz HEHLVCOOIYVRPR-CSYMLDBXSA-N 1 2 233.315 1.605 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@H]1CCCOC1=O ZINC001227264201 975339948 /nfs/dbraw/zinc/33/99/48/975339948.db2.gz KTRSFJJELQAAMY-JTQLQIEISA-N 1 2 221.256 1.783 20 0 BDADLO Cc1nnsc1[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC001333051615 975388489 /nfs/dbraw/zinc/38/84/89/975388489.db2.gz SFUJMLMFARGWMI-SECBINFHSA-N 1 2 249.343 1.620 20 0 BDADLO COC[C@@H](C)[C@H](C)c1nnc(C[NH+](C)C)o1 ZINC001333123246 975464229 /nfs/dbraw/zinc/46/42/29/975464229.db2.gz ZSBPYJLPOCWDAC-BDAKNGLRSA-N 1 2 227.308 1.517 20 0 BDADLO C[NH+]1CC(Oc2cc(=O)oc3ccccc23)C1 ZINC001227515567 975496965 /nfs/dbraw/zinc/49/69/65/975496965.db2.gz RAOCZEMTLUNPLP-UHFFFAOYSA-N 1 2 231.251 1.486 20 0 BDADLO Cc1nocc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001333314605 975645771 /nfs/dbraw/zinc/64/57/71/975645771.db2.gz ATGPHQZXOTWZIO-QMMMGPOBSA-N 1 2 220.232 1.379 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227807549 975711914 /nfs/dbraw/zinc/71/19/14/975711914.db2.gz ZPWCHZKAQJPJDH-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227807549 975711932 /nfs/dbraw/zinc/71/19/32/975711932.db2.gz ZPWCHZKAQJPJDH-MRVPVSSYSA-N 1 2 248.286 1.137 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCc2cnccn2)no1 ZINC001333399108 975753880 /nfs/dbraw/zinc/75/38/80/975753880.db2.gz ALSUISVHHLQQKH-MRVPVSSYSA-N 1 2 233.275 1.061 20 0 BDADLO O=C(CC1CCC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001333423092 975766370 /nfs/dbraw/zinc/76/63/70/975766370.db2.gz DABXCPCPVIBTFS-GFCCVEGCSA-N 1 2 248.330 1.073 20 0 BDADLO c1cncc(C[NH2+]Cc2noc3c2COCC3)c1 ZINC001333520946 975827757 /nfs/dbraw/zinc/82/77/57/975827757.db2.gz WDSLHSXLFMWVFV-UHFFFAOYSA-N 1 2 245.282 1.432 20 0 BDADLO CC[N@H+](CCc1cccs1)Cc1nnc[nH]1 ZINC001333580997 975863577 /nfs/dbraw/zinc/86/35/77/975863577.db2.gz BKAPDTFSOJSGPX-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO CC[N@@H+](CCc1cccs1)Cc1nnc[nH]1 ZINC001333580997 975863581 /nfs/dbraw/zinc/86/35/81/975863581.db2.gz BKAPDTFSOJSGPX-UHFFFAOYSA-N 1 2 236.344 1.931 20 0 BDADLO Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)c2ncco2)c1C ZINC001333596689 975879970 /nfs/dbraw/zinc/87/99/70/975879970.db2.gz LILVCGJLEDGILN-VIFPVBQESA-N 1 2 248.286 1.638 20 0 BDADLO Cc1ccc(O)cc1OC[C@H]1C[N@H+](C)CCO1 ZINC001228068842 975889944 /nfs/dbraw/zinc/88/99/44/975889944.db2.gz PYBBLQRTSCNSRM-GFCCVEGCSA-N 1 2 237.299 1.410 20 0 BDADLO Cc1ccc(O)cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001228068842 975889950 /nfs/dbraw/zinc/88/99/50/975889950.db2.gz PYBBLQRTSCNSRM-GFCCVEGCSA-N 1 2 237.299 1.410 20 0 BDADLO CN=c1c(N)c(Cl)ncn1-c1cc[nH+]cc1 ZINC001173881601 975922465 /nfs/dbraw/zinc/92/24/65/975922465.db2.gz ARELBFGCEGBOEQ-UHFFFAOYSA-N 1 2 235.678 1.033 20 0 BDADLO Nc1ccccc1-c1nnn(-c2cc[nH+]cc2)n1 ZINC001173883363 975956972 /nfs/dbraw/zinc/95/69/72/975956972.db2.gz HBLSSUXQYAAYJO-UHFFFAOYSA-N 1 2 238.254 1.307 20 0 BDADLO COc1ccc2ccc(NC[C@H](O)CO)[nH+]c2c1 ZINC001333681054 975987099 /nfs/dbraw/zinc/98/70/99/975987099.db2.gz YHQDSKNDTPFAQM-JTQLQIEISA-N 1 2 248.282 1.009 20 0 BDADLO Cc1nnc([C@@H](C)NC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001333691768 975991679 /nfs/dbraw/zinc/99/16/79/975991679.db2.gz XEEMIDVWFWCWGE-HTQZYQBOSA-N 1 2 249.274 1.013 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC001333704264 976015848 /nfs/dbraw/zinc/01/58/48/976015848.db2.gz VGSXMRVGBZMBJL-LLVKDONJSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1coc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC001333704264 976015866 /nfs/dbraw/zinc/01/58/66/976015866.db2.gz VGSXMRVGBZMBJL-LLVKDONJSA-N 1 2 222.288 1.251 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001333745560 976055900 /nfs/dbraw/zinc/05/59/00/976055900.db2.gz LZZDZUSPIQCNSY-QWHCGFSZSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001333745560 976055921 /nfs/dbraw/zinc/05/59/21/976055921.db2.gz LZZDZUSPIQCNSY-QWHCGFSZSA-N 1 2 249.358 1.810 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)nc1C ZINC001228298044 976078276 /nfs/dbraw/zinc/07/82/76/976078276.db2.gz FMVAJCSLOOGQIN-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)nc1C ZINC001228298044 976078293 /nfs/dbraw/zinc/07/82/93/976078293.db2.gz FMVAJCSLOOGQIN-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO CC(C)(C)[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001333943955 976179617 /nfs/dbraw/zinc/17/96/17/976179617.db2.gz CZKIQYCAMITNGB-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[NH+]1CC(Oc2ccc3sc(=O)oc3c2)C1 ZINC001228424190 976199445 /nfs/dbraw/zinc/19/94/45/976199445.db2.gz XAAWWFKIRUWXSG-UHFFFAOYSA-N 1 2 237.280 1.547 20 0 BDADLO Cc1cnc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)o1 ZINC001333984156 976199669 /nfs/dbraw/zinc/19/96/69/976199669.db2.gz LEBPQNONODHNTL-SSDOTTSWSA-N 1 2 234.259 1.523 20 0 BDADLO Cc1cnc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)o1 ZINC001333984156 976199675 /nfs/dbraw/zinc/19/96/75/976199675.db2.gz LEBPQNONODHNTL-SSDOTTSWSA-N 1 2 234.259 1.523 20 0 BDADLO COc1ncc(Nc2cccc3[nH+]ccn32)cn1 ZINC001174033103 976232280 /nfs/dbraw/zinc/23/22/80/976232280.db2.gz WMFNHRPDUFYFCI-UHFFFAOYSA-N 1 2 241.254 1.877 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccnc2)C1 ZINC001206221011 976296266 /nfs/dbraw/zinc/29/62/66/976296266.db2.gz CSHUFQCCBGTZEH-JTQLQIEISA-N 1 2 245.248 1.547 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccnc2)C1 ZINC001206221011 976296292 /nfs/dbraw/zinc/29/62/92/976296292.db2.gz CSHUFQCCBGTZEH-JTQLQIEISA-N 1 2 245.248 1.547 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001334290155 976416001 /nfs/dbraw/zinc/41/60/01/976416001.db2.gz OXVXZJYZNKIVPC-LBPRGKRZSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CC[C@@]12CCOC2 ZINC001334290155 976416011 /nfs/dbraw/zinc/41/60/11/976416011.db2.gz OXVXZJYZNKIVPC-LBPRGKRZSA-N 1 2 221.304 1.093 20 0 BDADLO C[NH+]1CC(Oc2nccc3cccnc32)C1 ZINC001228813442 976504435 /nfs/dbraw/zinc/50/44/35/976504435.db2.gz WUPHMJNHJHAFRW-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001334601324 976563876 /nfs/dbraw/zinc/56/38/76/976563876.db2.gz ALCIWWSURCCDTB-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO Nc1cn[nH+]cc1Nc1cccc2[nH]ncc21 ZINC001174343225 976567812 /nfs/dbraw/zinc/56/78/12/976567812.db2.gz KIAWNUKFGVLRTQ-UHFFFAOYSA-N 1 2 226.243 1.679 20 0 BDADLO Cc1cn(C)nc1CSCCn1cc[nH+]c1 ZINC001334708894 976595579 /nfs/dbraw/zinc/59/55/79/976595579.db2.gz YOMGTNBHYQXMLB-UHFFFAOYSA-N 1 2 236.344 1.858 20 0 BDADLO Cc1[nH]c(CNC(=O)C2CCOCC2)[nH+]c1C ZINC001334764998 976631165 /nfs/dbraw/zinc/63/11/65/976631165.db2.gz ZOLITQMBSZHYLO-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO CC[NH+]1CC(Oc2ccnc(OC(F)F)c2)C1 ZINC001229086685 976708601 /nfs/dbraw/zinc/70/86/01/976708601.db2.gz JPKOFWQUAFAPGR-UHFFFAOYSA-N 1 2 244.241 1.766 20 0 BDADLO Nc1cn[nH+]cc1Nc1ccc2c[nH]nc2c1 ZINC001174498502 976717457 /nfs/dbraw/zinc/71/74/57/976717457.db2.gz LVMPJLJITIUMKW-UHFFFAOYSA-N 1 2 226.243 1.679 20 0 BDADLO COCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001334878167 976766277 /nfs/dbraw/zinc/76/62/77/976766277.db2.gz OBKPDXFOAJHRRY-UHFFFAOYSA-N 1 2 247.298 1.719 20 0 BDADLO Cc1cc(Nc2cc(=O)[nH]c(Cl)n2)cc[nH+]1 ZINC001174652899 976937147 /nfs/dbraw/zinc/93/71/47/976937147.db2.gz IMNCMHMYXJBPRC-UHFFFAOYSA-N 1 2 236.662 1.705 20 0 BDADLO CC(C)[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ncon1 ZINC001335449274 977068268 /nfs/dbraw/zinc/06/82/68/977068268.db2.gz TYVUNFQQYBVNMK-GMSGAONNSA-N 1 2 249.261 1.372 20 0 BDADLO CC[NH+]1CC(Oc2cc(F)ccc2O)C1 ZINC001230291262 977170160 /nfs/dbraw/zinc/17/01/60/977170160.db2.gz MPUABUSGNKSNTE-UHFFFAOYSA-N 1 2 211.236 1.614 20 0 BDADLO CC[C@H](F)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001335847508 977326537 /nfs/dbraw/zinc/32/65/37/977326537.db2.gz XOKLXBNBYVYXCG-QMMMGPOBSA-N 1 2 213.256 1.391 20 0 BDADLO Cc1cnn(C)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175340104 977388628 /nfs/dbraw/zinc/38/86/28/977388628.db2.gz AFBZBISXMJYWQM-UHFFFAOYSA-N 1 2 231.303 1.933 20 0 BDADLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001336009531 977423037 /nfs/dbraw/zinc/42/30/37/977423037.db2.gz XBBINMYBAFWYRX-DBIOUOCHSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001336009531 977423041 /nfs/dbraw/zinc/42/30/41/977423041.db2.gz XBBINMYBAFWYRX-DBIOUOCHSA-N 1 2 249.314 1.054 20 0 BDADLO COC(=O)/C=C/c1cccc(OC2C[NH+](C)C2)c1 ZINC001231016106 977426047 /nfs/dbraw/zinc/42/60/47/977426047.db2.gz UFBQAKARIAXXKZ-VOTSOKGWSA-N 1 2 247.294 1.566 20 0 BDADLO C[N@@H+](CCCNC(=O)C1CC1)Cc1ccon1 ZINC001231065219 977455596 /nfs/dbraw/zinc/45/55/96/977455596.db2.gz WEQILUPUROHZGR-UHFFFAOYSA-N 1 2 237.303 1.023 20 0 BDADLO C[N@H+](CCCNC(=O)C1CC1)Cc1ccon1 ZINC001231065219 977455589 /nfs/dbraw/zinc/45/55/89/977455589.db2.gz WEQILUPUROHZGR-UHFFFAOYSA-N 1 2 237.303 1.023 20 0 BDADLO c1[nH]c2cccnc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231490989 977612156 /nfs/dbraw/zinc/61/21/56/977612156.db2.gz BDLCFLNAAPYEDD-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]c2cccnc2c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001231490989 977612158 /nfs/dbraw/zinc/61/21/58/977612158.db2.gz BDLCFLNAAPYEDD-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO CCc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)nc1 ZINC001231640891 977661783 /nfs/dbraw/zinc/66/17/83/977661783.db2.gz PEKJMVZNCUOUBX-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO CCc1ccc(C[N@H+]2CCCN(C)C(=O)C2)nc1 ZINC001231640891 977661797 /nfs/dbraw/zinc/66/17/97/977661797.db2.gz PEKJMVZNCUOUBX-UHFFFAOYSA-N 1 2 247.342 1.308 20 0 BDADLO CC[C@@H](F)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001336416021 977671787 /nfs/dbraw/zinc/67/17/87/977671787.db2.gz HLNFWJZFIULZGF-VHSXEESVSA-N 1 2 239.294 1.484 20 0 BDADLO O=C1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001231970569 977819337 /nfs/dbraw/zinc/81/93/37/977819337.db2.gz RZJATMHOSCYEBY-UHFFFAOYSA-N 1 2 229.283 1.728 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1ccc(=O)[nH]n1 ZINC001232021758 977850686 /nfs/dbraw/zinc/85/06/86/977850686.db2.gz SPDKTMXNXVSREU-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1ccc(=O)[nH]n1 ZINC001232021758 977850691 /nfs/dbraw/zinc/85/06/91/977850691.db2.gz SPDKTMXNXVSREU-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO O=c1ccc(C[N@H+]2CCC[C@H](F)C2)n[nH]1 ZINC001232024177 977854710 /nfs/dbraw/zinc/85/47/10/977854710.db2.gz KHRWZRZPNZCTEM-QMMMGPOBSA-N 1 2 211.240 1.116 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC[C@H](F)C2)n[nH]1 ZINC001232024177 977854720 /nfs/dbraw/zinc/85/47/20/977854720.db2.gz KHRWZRZPNZCTEM-QMMMGPOBSA-N 1 2 211.240 1.116 20 0 BDADLO CC(=O)N1CC=C(Nc2cccc(C)[nH+]2)CC1 ZINC001176026865 977865441 /nfs/dbraw/zinc/86/54/41/977865441.db2.gz XNRUTTCKVMSZQB-UHFFFAOYSA-N 1 2 231.299 1.938 20 0 BDADLO CCOC(=O)c1cc(C)n(-c2[nH]cc[nH+]2)c1N ZINC001176078918 977870666 /nfs/dbraw/zinc/87/06/66/977870666.db2.gz CMOFBGBPIYUPPS-UHFFFAOYSA-N 1 2 234.259 1.268 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc2ncccc2[nH]1 ZINC001232063502 977877330 /nfs/dbraw/zinc/87/73/30/977877330.db2.gz LYCFTXAWPFPYKM-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc2ncccc2[nH]1 ZINC001232063502 977877331 /nfs/dbraw/zinc/87/73/31/977877331.db2.gz LYCFTXAWPFPYKM-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cc2ccncc2[nH]1 ZINC001232089893 977889231 /nfs/dbraw/zinc/88/92/31/977889231.db2.gz GETRKOXRABGJKA-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cc2ccncc2[nH]1 ZINC001232089893 977889232 /nfs/dbraw/zinc/88/92/32/977889232.db2.gz GETRKOXRABGJKA-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232155749 977897556 /nfs/dbraw/zinc/89/75/56/977897556.db2.gz PNDQQRKJALUHCH-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2nc(Cl)ccc2F)C1 ZINC001232155749 977897557 /nfs/dbraw/zinc/89/75/57/977897557.db2.gz PNDQQRKJALUHCH-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cn(C)nc1C1CC1 ZINC001232170595 977900113 /nfs/dbraw/zinc/90/01/13/977900113.db2.gz ZKLSGNNVMUXBGM-ZDUSSCGKSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cn(C)nc1C1CC1 ZINC001232170595 977900117 /nfs/dbraw/zinc/90/01/17/977900117.db2.gz ZKLSGNNVMUXBGM-ZDUSSCGKSA-N 1 2 249.358 1.908 20 0 BDADLO c1[nH+]cn2ccnc(N3CCOCC4(CC4)C3)c12 ZINC001336748851 977910492 /nfs/dbraw/zinc/91/04/92/977910492.db2.gz ZNPVARJFTXQMAK-UHFFFAOYSA-N 1 2 244.298 1.346 20 0 BDADLO OC1CC2(C1)C[NH+](Cc1ccns1)C2 ZINC001232189304 977912214 /nfs/dbraw/zinc/91/22/14/977912214.db2.gz GESYZJFEWNTOLL-UHFFFAOYSA-N 1 2 210.302 1.100 20 0 BDADLO C[C@@H](CC(C)(C)O)Nc1cc(N(C)C)nc[nH+]1 ZINC001336766098 977935103 /nfs/dbraw/zinc/93/51/03/977935103.db2.gz DJYBQZBXUJEETF-VIFPVBQESA-N 1 2 238.335 1.504 20 0 BDADLO C[C@@H](CC(C)(C)O)Nc1cc(N(C)C)[nH+]cn1 ZINC001336766098 977935112 /nfs/dbraw/zinc/93/51/12/977935112.db2.gz DJYBQZBXUJEETF-VIFPVBQESA-N 1 2 238.335 1.504 20 0 BDADLO C[C@H](CC(C)(C)O)Nc1cc(N(C)C)nc[nH+]1 ZINC001336766097 977935586 /nfs/dbraw/zinc/93/55/86/977935586.db2.gz DJYBQZBXUJEETF-SECBINFHSA-N 1 2 238.335 1.504 20 0 BDADLO C[C@H](CC(C)(C)O)Nc1cc(N(C)C)[nH+]cn1 ZINC001336766097 977935592 /nfs/dbraw/zinc/93/55/92/977935592.db2.gz DJYBQZBXUJEETF-SECBINFHSA-N 1 2 238.335 1.504 20 0 BDADLO COc1ccc(Nc2c[nH+]ccc2OC)nn1 ZINC001176119522 977948575 /nfs/dbraw/zinc/94/85/75/977948575.db2.gz RRGOEXRMKBVFPC-UHFFFAOYSA-N 1 2 232.243 1.632 20 0 BDADLO O=C([O-])C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001595102802 977953082 /nfs/dbraw/zinc/95/30/82/977953082.db2.gz UINWCFQCNXCBME-GFCCVEGCSA-N 1 2 245.282 1.299 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnsc2)C1 ZINC001232227350 977959992 /nfs/dbraw/zinc/95/99/92/977959992.db2.gz LWQGTZXDSLBZLC-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnsc2)C1 ZINC001232227350 977960020 /nfs/dbraw/zinc/96/00/20/977960020.db2.gz LWQGTZXDSLBZLC-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cnsc1 ZINC001232230421 977964320 /nfs/dbraw/zinc/96/43/20/977964320.db2.gz IYYGZOGZEYVXGI-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cnsc1 ZINC001232230421 977964331 /nfs/dbraw/zinc/96/43/31/977964331.db2.gz IYYGZOGZEYVXGI-NSHDSACASA-N 1 2 226.345 2.000 20 0 BDADLO COCc1cccc(C[N@@H+]2CCCC23COC3)n1 ZINC001232254391 977979578 /nfs/dbraw/zinc/97/95/78/977979578.db2.gz FWPGVDNRKBSHJP-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO COCc1cccc(C[N@H+]2CCCC23COC3)n1 ZINC001232254391 977979589 /nfs/dbraw/zinc/97/95/89/977979589.db2.gz FWPGVDNRKBSHJP-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO COCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001232251872 977980192 /nfs/dbraw/zinc/98/01/92/977980192.db2.gz JUAXDVLDJFQHRE-OKILXGFUSA-N 1 2 248.326 1.591 20 0 BDADLO COCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001232251872 977980202 /nfs/dbraw/zinc/98/02/02/977980202.db2.gz JUAXDVLDJFQHRE-OKILXGFUSA-N 1 2 248.326 1.591 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)nc1C ZINC001232340521 978020268 /nfs/dbraw/zinc/02/02/68/978020268.db2.gz USSFAJUTTMISIC-NSHDSACASA-N 1 2 249.314 1.110 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N)nc1C ZINC001232340521 978020278 /nfs/dbraw/zinc/02/02/78/978020278.db2.gz USSFAJUTTMISIC-NSHDSACASA-N 1 2 249.314 1.110 20 0 BDADLO F[C@H]1C[N@H+](Cc2n[nH]c3c2CCC3)C[C@@H]2C[C@@H]21 ZINC001232424073 978059852 /nfs/dbraw/zinc/05/98/52/978059852.db2.gz BQERDUPTEKOLMF-LSJOCFKGSA-N 1 2 235.306 1.688 20 0 BDADLO F[C@H]1C[N@@H+](Cc2n[nH]c3c2CCC3)C[C@@H]2C[C@@H]21 ZINC001232424073 978059859 /nfs/dbraw/zinc/05/98/59/978059859.db2.gz BQERDUPTEKOLMF-LSJOCFKGSA-N 1 2 235.306 1.688 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@@H+]1CCCCC12COC2 ZINC001232426933 978061036 /nfs/dbraw/zinc/06/10/36/978061036.db2.gz OIMKPIJXSCTCRW-UHFFFAOYSA-N 1 2 247.342 1.653 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@H+]1CCCCC12COC2 ZINC001232426933 978061044 /nfs/dbraw/zinc/06/10/44/978061044.db2.gz OIMKPIJXSCTCRW-UHFFFAOYSA-N 1 2 247.342 1.653 20 0 BDADLO Cc1[nH]c(CN2CCCC(=O)[C@H](F)C2)c[nH+]1 ZINC001232459191 978084793 /nfs/dbraw/zinc/08/47/93/978084793.db2.gz AIBARVGTRFFFKP-SNVBAGLBSA-N 1 2 225.267 1.221 20 0 BDADLO Cc1[nH]cc(CN2CCCC(=O)[C@H](F)C2)[nH+]1 ZINC001232459191 978084804 /nfs/dbraw/zinc/08/48/04/978084804.db2.gz AIBARVGTRFFFKP-SNVBAGLBSA-N 1 2 225.267 1.221 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)CC[C@@H]2CO)c[nH+]1 ZINC001232459225 978088121 /nfs/dbraw/zinc/08/81/21/978088121.db2.gz BBFCBSPINADJRU-SNVBAGLBSA-N 1 2 245.273 1.310 20 0 BDADLO Cc1[nH]cc(CN2CC(F)(F)CC[C@@H]2CO)[nH+]1 ZINC001232459225 978088130 /nfs/dbraw/zinc/08/81/30/978088130.db2.gz BBFCBSPINADJRU-SNVBAGLBSA-N 1 2 245.273 1.310 20 0 BDADLO OCCn1cc(Nc2cccc3[nH+]ccn32)cn1 ZINC001176472208 978091738 /nfs/dbraw/zinc/09/17/38/978091738.db2.gz UYBJWUDXSZRRMK-UHFFFAOYSA-N 1 2 243.270 1.267 20 0 BDADLO Cc1[nH]c(CN2CC(Oc3ccccc3)C2)c[nH+]1 ZINC001232462485 978100898 /nfs/dbraw/zinc/10/08/98/978100898.db2.gz PZKFVENPHOXBRD-UHFFFAOYSA-N 1 2 243.310 1.981 20 0 BDADLO Cc1[nH]cc(CN2CC(Oc3ccccc3)C2)[nH+]1 ZINC001232462485 978100918 /nfs/dbraw/zinc/10/09/18/978100918.db2.gz PZKFVENPHOXBRD-UHFFFAOYSA-N 1 2 243.310 1.981 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001176515715 978111200 /nfs/dbraw/zinc/11/12/00/978111200.db2.gz MATLDWBVQFWQNE-PWSUYJOCSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001176515715 978111211 /nfs/dbraw/zinc/11/12/11/978111211.db2.gz MATLDWBVQFWQNE-PWSUYJOCSA-N 1 2 249.314 1.218 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC001232466053 978121155 /nfs/dbraw/zinc/12/11/55/978121155.db2.gz UFCPZGHTBAYFDG-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2c[nH]c(C)n2)C1 ZINC001232466053 978121166 /nfs/dbraw/zinc/12/11/66/978121166.db2.gz UFCPZGHTBAYFDG-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C[C@H]1CC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC001232466053 978121176 /nfs/dbraw/zinc/12/11/76/978121176.db2.gz UFCPZGHTBAYFDG-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)C[C@H]1CC[N@@H+](Cc2cnc(C)[nH]2)C1 ZINC001232466053 978121182 /nfs/dbraw/zinc/12/11/82/978121182.db2.gz UFCPZGHTBAYFDG-SNVBAGLBSA-N 1 2 237.303 1.103 20 0 BDADLO CCc1csc(C[N@@H+]2CC[C@@H]2COC)n1 ZINC001232476434 978126430 /nfs/dbraw/zinc/12/64/30/978126430.db2.gz AEZZQLMYYBLCBH-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1csc(C[N@H+]2CC[C@@H]2COC)n1 ZINC001232476434 978126440 /nfs/dbraw/zinc/12/64/40/978126440.db2.gz AEZZQLMYYBLCBH-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO COc1cncc(OC)c1C[NH+]1CC(C)(C)C1 ZINC001232500128 978152034 /nfs/dbraw/zinc/15/20/34/978152034.db2.gz FQIBDUCMVCUQOH-UHFFFAOYSA-N 1 2 236.315 1.941 20 0 BDADLO Cn1cnc(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176742966 978170075 /nfs/dbraw/zinc/17/00/75/978170075.db2.gz GFHVJSICSDDPHB-UHFFFAOYSA-N 1 2 244.302 1.554 20 0 BDADLO c1[nH]c2nccnc2c1C[NH+]1CC2(C1)CCCO2 ZINC001232545405 978172481 /nfs/dbraw/zinc/17/24/81/978172481.db2.gz MYUCZQBHCMGDRH-UHFFFAOYSA-N 1 2 244.298 1.274 20 0 BDADLO CC[C@@]1(C)CN(c2cc(N)nc[nH+]2)CCO1 ZINC001337131746 978178437 /nfs/dbraw/zinc/17/84/37/978178437.db2.gz NKTMGNMGFITEKO-NSHDSACASA-N 1 2 222.292 1.064 20 0 BDADLO CO[C@@]1(C)CCCN(c2cc(N)nc[nH+]2)CC1 ZINC001337145975 978184245 /nfs/dbraw/zinc/18/42/45/978184245.db2.gz QNZXHVMPEAFDLQ-LBPRGKRZSA-N 1 2 236.319 1.454 20 0 BDADLO C[C@]1(F)CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1F ZINC001176829677 978191652 /nfs/dbraw/zinc/19/16/52/978191652.db2.gz XAHITIAOKLHHMD-KOLCDFICSA-N 1 2 243.257 1.251 20 0 BDADLO CC1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001176829651 978192113 /nfs/dbraw/zinc/19/21/13/978192113.db2.gz VYSSLPLAWXHNCP-UHFFFAOYSA-N 1 2 207.277 1.209 20 0 BDADLO CCCN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001337239460 978211197 /nfs/dbraw/zinc/21/11/97/978211197.db2.gz OUCXTUYOGHPKKZ-SNVBAGLBSA-N 1 2 221.304 1.845 20 0 BDADLO CC1(O)C[NH+](Cc2cncc3cnccc32)C1 ZINC001232649395 978213688 /nfs/dbraw/zinc/21/36/88/978213688.db2.gz KUDYQVDYZOVKNC-UHFFFAOYSA-N 1 2 229.283 1.196 20 0 BDADLO Cc1cnc(NC(=O)CCn2cc[nH+]c2)nc1C ZINC001176872463 978218711 /nfs/dbraw/zinc/21/87/11/978218711.db2.gz IWQAVWYKBIBRPW-UHFFFAOYSA-N 1 2 245.286 1.319 20 0 BDADLO Cc1ncc(NC(=O)CCn2cc[nH+]c2)nc1C ZINC001176873271 978219036 /nfs/dbraw/zinc/21/90/36/978219036.db2.gz FIUWTSOXKSURGD-UHFFFAOYSA-N 1 2 245.286 1.319 20 0 BDADLO COCCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001176877571 978227463 /nfs/dbraw/zinc/22/74/63/978227463.db2.gz GLIXYJWSRKYTMG-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO CNc1ccccc1C[NH+]1CC2(CCO2)C1 ZINC001232672786 978230302 /nfs/dbraw/zinc/23/03/02/978230302.db2.gz KPSAYWVZOYOPSD-UHFFFAOYSA-N 1 2 218.300 1.703 20 0 BDADLO Nc1cc(N[C@@H](c2ncccn2)C2CC2)[nH+]cn1 ZINC001337266726 978252744 /nfs/dbraw/zinc/25/27/44/978252744.db2.gz MCWKICFNNXBHHE-LLVKDONJSA-N 1 2 242.286 1.412 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H](C)C(C)(F)F)c[nH+]1 ZINC001597257222 978306471 /nfs/dbraw/zinc/30/64/71/978306471.db2.gz GDGQEYGLOVJLRZ-ZETCQYMHSA-N 1 2 245.273 1.880 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H](C)C(C)(F)F)[nH+]1 ZINC001597257222 978306485 /nfs/dbraw/zinc/30/64/85/978306485.db2.gz GDGQEYGLOVJLRZ-ZETCQYMHSA-N 1 2 245.273 1.880 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2scnc2Cl)C[C@H]1O ZINC000721929611 978367875 /nfs/dbraw/zinc/36/78/75/978367875.db2.gz OWCLDZWCLZOCON-HTQZYQBOSA-N 1 2 246.763 1.999 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@H]2CCC=CO2)[nH+]1 ZINC001597811334 978374365 /nfs/dbraw/zinc/37/43/65/978374365.db2.gz BUWODGDAZSSVQI-LLVKDONJSA-N 1 2 249.314 1.842 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@H]2CCC=CO2)c[nH+]1 ZINC001597811334 978374375 /nfs/dbraw/zinc/37/43/75/978374375.db2.gz BUWODGDAZSSVQI-LLVKDONJSA-N 1 2 249.314 1.842 20 0 BDADLO Cc1cccnc1[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001337501091 978378911 /nfs/dbraw/zinc/37/89/11/978378911.db2.gz UGIHQURBUXDNMD-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO Cc1cc(-n2ncc3cc(N)ccc32)c[nH+]c1N ZINC001249785130 978387672 /nfs/dbraw/zinc/38/76/72/978387672.db2.gz ZAHYRKHHUBAPJD-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO CC[N@H+](Cc1nc2ccccn2n1)C1CC1 ZINC001233069341 978456235 /nfs/dbraw/zinc/45/62/35/978456235.db2.gz RYEFGELZMPHQJS-UHFFFAOYSA-N 1 2 216.288 1.714 20 0 BDADLO CC[N@@H+](Cc1nc2ccccn2n1)C1CC1 ZINC001233069341 978456246 /nfs/dbraw/zinc/45/62/46/978456246.db2.gz RYEFGELZMPHQJS-UHFFFAOYSA-N 1 2 216.288 1.714 20 0 BDADLO Cc1cc(F)cc(N2CCC(C(N)=O)CC2)[nH+]1 ZINC001337698804 978463655 /nfs/dbraw/zinc/46/36/55/978463655.db2.gz UCTWEFXMSSTUHT-UHFFFAOYSA-N 1 2 237.278 1.231 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cnc1C ZINC001233156413 978476448 /nfs/dbraw/zinc/47/64/48/978476448.db2.gz MRLGHLXPDXSOSH-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[C@H](F)C1 ZINC001177997967 978483284 /nfs/dbraw/zinc/48/32/84/978483284.db2.gz IJUNEWADTLUNCE-KYZUINATSA-N 1 2 225.267 1.207 20 0 BDADLO Cc1cccc(N)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177998344 978487995 /nfs/dbraw/zinc/48/79/95/978487995.db2.gz PJIDOYUXTFIHAT-UHFFFAOYSA-N 1 2 244.298 1.872 20 0 BDADLO CC(=O)CC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000284 978488476 /nfs/dbraw/zinc/48/84/76/978488476.db2.gz HFMDCGVMCIJBCY-UHFFFAOYSA-N 1 2 237.303 1.216 20 0 BDADLO CCc1ccc(N2CCC[C@@H](C(=O)NC)C2)[nH+]c1 ZINC001337772035 978490105 /nfs/dbraw/zinc/49/01/05/978490105.db2.gz MKYLGOZQAVTKAA-GFCCVEGCSA-N 1 2 247.342 1.606 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@@H]1F ZINC001204208899 978495914 /nfs/dbraw/zinc/49/59/14/978495914.db2.gz WAFFWIGPLHLYRA-CMPLNLGQSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@@H]1F ZINC001204208899 978495918 /nfs/dbraw/zinc/49/59/18/978495918.db2.gz WAFFWIGPLHLYRA-CMPLNLGQSA-N 1 2 245.244 1.870 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC001233236611 978511813 /nfs/dbraw/zinc/51/18/13/978511813.db2.gz ZDJKAQWAYWZFNA-AAEUAGOBSA-N 1 2 249.289 1.503 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnn3ccccc23)C[C@@H]1F ZINC001233236611 978511819 /nfs/dbraw/zinc/51/18/19/978511819.db2.gz ZDJKAQWAYWZFNA-AAEUAGOBSA-N 1 2 249.289 1.503 20 0 BDADLO O=C(N[C@@H]1C[C@@H]1C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178122041 978514754 /nfs/dbraw/zinc/51/47/54/978514754.db2.gz QFFGJKRUQINXEE-IJLUTSLNSA-N 1 2 245.326 1.360 20 0 BDADLO CCOC(=O)[C@@H](C)c1cc[nH+]c(NC)c1 ZINC001249857818 978516669 /nfs/dbraw/zinc/51/66/69/978516669.db2.gz LLEYSRNPIINVSA-QMMMGPOBSA-N 1 2 208.261 1.790 20 0 BDADLO Cc1cnsc1C[N@@H+]1CC[C@H](F)C1 ZINC001233318701 978550971 /nfs/dbraw/zinc/55/09/71/978550971.db2.gz NQDDYXUKJZTCKE-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1cnsc1C[N@H+]1CC[C@H](F)C1 ZINC001233318701 978550976 /nfs/dbraw/zinc/55/09/76/978550976.db2.gz NQDDYXUKJZTCKE-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCC1=O ZINC001233361042 978571300 /nfs/dbraw/zinc/57/13/00/978571300.db2.gz WGYYTKYEXDTEKT-LLVKDONJSA-N 1 2 243.310 1.745 20 0 BDADLO C[NH+]1CC(OC[C@@H]2COc3ccccc3O2)C1 ZINC001206331970 978583593 /nfs/dbraw/zinc/58/35/93/978583593.db2.gz AAPBGQNPSIPEEK-LLVKDONJSA-N 1 2 235.283 1.157 20 0 BDADLO CCCOC1CN(Cc2cccc(N)[nH+]2)C1 ZINC001233371393 978584645 /nfs/dbraw/zinc/58/46/45/978584645.db2.gz OJHFITUJSSULFT-UHFFFAOYSA-N 1 2 221.304 1.275 20 0 BDADLO Nc1cccc(CN2CCC(=O)[C@H](F)CC2)[nH+]1 ZINC001233368976 978584770 /nfs/dbraw/zinc/58/47/70/978584770.db2.gz RCRNVRNADOFNLF-SNVBAGLBSA-N 1 2 237.278 1.167 20 0 BDADLO CCOC(=O)CN(Cc1cccc(N)[nH+]1)C1CC1 ZINC001233372756 978586834 /nfs/dbraw/zinc/58/68/34/978586834.db2.gz DCXZVPXNHWTTFK-UHFFFAOYSA-N 1 2 249.314 1.191 20 0 BDADLO Nc1cccc(CN2CCC(=O)C(F)(F)C2)[nH+]1 ZINC001233371798 978588837 /nfs/dbraw/zinc/58/88/37/978588837.db2.gz JKBYTLCFISKCNN-UHFFFAOYSA-N 1 2 241.241 1.074 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC001233394004 978600556 /nfs/dbraw/zinc/60/05/56/978600556.db2.gz VWRILVDPZMEWAM-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1c(F)ccc(O)c1F ZINC001233394004 978600560 /nfs/dbraw/zinc/60/05/60/978600560.db2.gz VWRILVDPZMEWAM-QMMMGPOBSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cncc(Cl)n2)C[C@H]1O ZINC001233446666 978601236 /nfs/dbraw/zinc/60/12/36/978601236.db2.gz DIVSFADIEMHKBY-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cncc(Cl)n2)C[C@H]1O ZINC001233446666 978601238 /nfs/dbraw/zinc/60/12/38/978601238.db2.gz DIVSFADIEMHKBY-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO CCc1[nH]c(CNC(=O)CCC2CC2)c[nH+]1 ZINC001178670374 978603398 /nfs/dbraw/zinc/60/33/98/978603398.db2.gz WQOXUKXNGUULRI-UHFFFAOYSA-N 1 2 221.304 1.779 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCC2CC2)[nH+]1 ZINC001178670374 978603403 /nfs/dbraw/zinc/60/34/03/978603403.db2.gz WQOXUKXNGUULRI-UHFFFAOYSA-N 1 2 221.304 1.779 20 0 BDADLO C1=CC[NH+](Cc2cnnn2Cc2ccccc2)C1 ZINC001233461038 978604783 /nfs/dbraw/zinc/60/47/83/978604783.db2.gz DWCDRHDVXDCBHF-UHFFFAOYSA-N 1 2 240.310 1.698 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cncc(Cl)n2)C1 ZINC001233447212 978605393 /nfs/dbraw/zinc/60/53/93/978605393.db2.gz XLEZMJDKEUDGEG-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cncc(Cl)n2)C1 ZINC001233447212 978605401 /nfs/dbraw/zinc/60/54/01/978605401.db2.gz XLEZMJDKEUDGEG-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO c1nnn(Cc2ccccc2)c1C[NH+]1CCC1 ZINC001233460738 978607836 /nfs/dbraw/zinc/60/78/36/978607836.db2.gz QNBQSVSLYPZZDV-UHFFFAOYSA-N 1 2 228.299 1.532 20 0 BDADLO CN(C)c1cc[nH+]c(CNc2ncc(O)cn2)c1 ZINC001338099844 978612368 /nfs/dbraw/zinc/61/23/68/978612368.db2.gz WWYFRQOROIZRFN-UHFFFAOYSA-N 1 2 245.286 1.255 20 0 BDADLO Cc1ccn(CC(=O)Nc2c(C)c[nH+]cc2C)n1 ZINC001338240895 978639995 /nfs/dbraw/zinc/63/99/95/978639995.db2.gz FBIGCWZKEFFJJI-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCOC[C@@H]1C ZINC001338239765 978640150 /nfs/dbraw/zinc/64/01/50/978640150.db2.gz ANANXNWHMPXSDM-RYUDHWBXSA-N 1 2 248.326 1.731 20 0 BDADLO CCC1(C(=O)N2CCc3[nH+]ccn3CC2)CCC1 ZINC001179022880 978655283 /nfs/dbraw/zinc/65/52/83/978655283.db2.gz PAZVPPLAXXXICO-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)sc1C ZINC001233654656 978661453 /nfs/dbraw/zinc/66/14/53/978661453.db2.gz DXBZXEVFSCBNFZ-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)sc1C ZINC001233654656 978661461 /nfs/dbraw/zinc/66/14/61/978661461.db2.gz DXBZXEVFSCBNFZ-VIFPVBQESA-N 1 2 238.356 1.685 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2cncn2C)[nH+]1 ZINC001179092469 978667819 /nfs/dbraw/zinc/66/78/19/978667819.db2.gz ORCGRTIEFNXLSQ-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2cncn2C)c[nH+]1 ZINC001179092469 978667824 /nfs/dbraw/zinc/66/78/24/978667824.db2.gz ORCGRTIEFNXLSQ-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1C(=O)[O-] ZINC001600207798 978679071 /nfs/dbraw/zinc/67/90/71/978679071.db2.gz MWDAWAKNWACKLO-LBPRGKRZSA-N 1 2 248.326 1.535 20 0 BDADLO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)[O-])[nH+]1 ZINC001600541821 978702651 /nfs/dbraw/zinc/70/26/51/978702651.db2.gz FHYYBLYVAOGHKH-NSHDSACASA-N 1 2 249.314 1.351 20 0 BDADLO Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)[O-])[nH+]1 ZINC001600541821 978702657 /nfs/dbraw/zinc/70/26/57/978702657.db2.gz FHYYBLYVAOGHKH-NSHDSACASA-N 1 2 249.314 1.351 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2cc(O)cc(F)c2)C1 ZINC001233817203 978703974 /nfs/dbraw/zinc/70/39/74/978703974.db2.gz NXOGNKOPQQNKQB-GFCCVEGCSA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2cc(O)cc(F)c2)C1 ZINC001233817203 978703980 /nfs/dbraw/zinc/70/39/80/978703980.db2.gz NXOGNKOPQQNKQB-GFCCVEGCSA-N 1 2 241.262 1.241 20 0 BDADLO Cc1[nH+]c(C(=O)[O-])cn1C[C@H]1CCCC[NH2+]C1 ZINC001600685691 978720415 /nfs/dbraw/zinc/72/04/15/978720415.db2.gz XKIIDZQLOJSZOD-JTQLQIEISA-N 1 2 237.303 1.279 20 0 BDADLO Cc1[nH+]ccn1CCCn1cc(C(=O)[O-])[nH+]c1C ZINC001600755397 978728537 /nfs/dbraw/zinc/72/85/37/978728537.db2.gz RQSCZDSEYHZMNY-UHFFFAOYSA-N 1 2 248.286 1.485 20 0 BDADLO COC1C[NH+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233964282 978741173 /nfs/dbraw/zinc/74/11/73/978741173.db2.gz LAPGMEWLPZONJY-UHFFFAOYSA-N 1 2 244.294 1.771 20 0 BDADLO [NH3+]CC12CCC(CC1)C[N@@H+]2CCCC(=O)[O-] ZINC001601184886 978789533 /nfs/dbraw/zinc/78/95/33/978789533.db2.gz MSKFGCLZJVJMIG-UHFFFAOYSA-N 1 2 226.320 1.055 20 0 BDADLO [NH3+]CC12CCC(CC1)C[N@H+]2CCCC(=O)[O-] ZINC001601184886 978789539 /nfs/dbraw/zinc/78/95/39/978789539.db2.gz MSKFGCLZJVJMIG-UHFFFAOYSA-N 1 2 226.320 1.055 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001601190666 978792233 /nfs/dbraw/zinc/79/22/33/978792233.db2.gz QHIDHBRVUMZDSG-GFCCVEGCSA-N 1 2 234.299 1.308 20 0 BDADLO [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001601190666 978792237 /nfs/dbraw/zinc/79/22/37/978792237.db2.gz QHIDHBRVUMZDSG-GFCCVEGCSA-N 1 2 234.299 1.308 20 0 BDADLO COC[C@H](C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001339104184 978795153 /nfs/dbraw/zinc/79/51/53/978795153.db2.gz YXOHHDHVDGMPJZ-SECBINFHSA-N 1 2 236.315 1.731 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)Cc1cnn(C)c1 ZINC001339103000 978795186 /nfs/dbraw/zinc/79/51/86/978795186.db2.gz MGMWBBZADMUBIQ-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCc2ccsc2C1 ZINC001339247252 978823275 /nfs/dbraw/zinc/82/32/75/978823275.db2.gz CBOPIUUGINUZFO-UHFFFAOYSA-N 1 2 247.323 1.599 20 0 BDADLO C=C(F)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001180115725 978823767 /nfs/dbraw/zinc/82/37/67/978823767.db2.gz LNRXRSVFJUVVDX-SECBINFHSA-N 1 2 223.251 1.599 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001339345145 978839693 /nfs/dbraw/zinc/83/96/93/978839693.db2.gz HEYVAJXDPOGHRB-AXFHLTTASA-N 1 2 223.320 1.995 20 0 BDADLO C[NH+]1CC(Oc2ccc([C@@H]3CCC(=O)N3)cc2)C1 ZINC001234482155 978846903 /nfs/dbraw/zinc/84/69/03/978846903.db2.gz OFYYXSFDOPYGPG-ZDUSSCGKSA-N 1 2 246.310 1.331 20 0 BDADLO Cc1cc(NC(=O)c2c[nH]c(C(C)C)n2)cc[nH+]1 ZINC001339431798 978851277 /nfs/dbraw/zinc/85/12/77/978851277.db2.gz MJSHYMMXLDCNBB-UHFFFAOYSA-N 1 2 244.298 1.911 20 0 BDADLO CC(C)(C)OCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001180319014 978856920 /nfs/dbraw/zinc/85/69/20/978856920.db2.gz PTPVRSYXVLMZSQ-UHFFFAOYSA-N 1 2 248.326 1.746 20 0 BDADLO CCOC(=[NH2+])c1ccc(O[C@H]2CCOC2=O)cc1 ZINC001234584206 978865686 /nfs/dbraw/zinc/86/56/86/978865686.db2.gz AMXMIQGFBHKLMI-NSHDSACASA-N 1 2 249.266 1.743 20 0 BDADLO O=C([O-])CCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001601987425 978878141 /nfs/dbraw/zinc/87/81/41/978878141.db2.gz DDLQPAJQZVPSPM-MNOVXSKESA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001601987425 978878144 /nfs/dbraw/zinc/87/81/44/978878144.db2.gz DDLQPAJQZVPSPM-MNOVXSKESA-N 1 2 226.320 1.068 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]1 ZINC001339711255 978896112 /nfs/dbraw/zinc/89/61/12/978896112.db2.gz DSSFQUBXPPRCHY-PHIMTYICSA-N 1 2 238.262 1.133 20 0 BDADLO Nc1cc(N2CC[C@H]3CSC[C@@H]3C2)[nH+]cn1 ZINC001339798369 978916832 /nfs/dbraw/zinc/91/68/32/978916832.db2.gz GWKNIAFJROPRED-IUCAKERBSA-N 1 2 236.344 1.248 20 0 BDADLO CC[NH+]1CC(Oc2cc(C(F)(F)F)[nH]n2)C1 ZINC001234855530 978919412 /nfs/dbraw/zinc/91/94/12/978919412.db2.gz TTZWNQDPERFCCP-UHFFFAOYSA-N 1 2 235.209 1.511 20 0 BDADLO CC(C)[C@@H](Nc1cc(N)nc[nH+]1)c1cnn(C)c1 ZINC001339830193 978919907 /nfs/dbraw/zinc/91/99/07/978919907.db2.gz QTZXSUPYTOAIBU-GFCCVEGCSA-N 1 2 246.318 1.602 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc(F)cn1 ZINC001234997569 978944241 /nfs/dbraw/zinc/94/42/41/978944241.db2.gz BANYAFFPYPETMQ-UHFFFAOYSA-N 1 2 213.256 1.084 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc(F)cn1 ZINC001234997569 978944242 /nfs/dbraw/zinc/94/42/42/978944242.db2.gz BANYAFFPYPETMQ-UHFFFAOYSA-N 1 2 213.256 1.084 20 0 BDADLO C[C@]1(O)CCCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235008001 978950415 /nfs/dbraw/zinc/95/04/15/978950415.db2.gz TXDMJYQCWSOIKL-LBPRGKRZSA-N 1 2 239.294 1.353 20 0 BDADLO C[C@]1(O)CCCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235008001 978950419 /nfs/dbraw/zinc/95/04/19/978950419.db2.gz TXDMJYQCWSOIKL-LBPRGKRZSA-N 1 2 239.294 1.353 20 0 BDADLO Fc1cnc(C[N@@H+]2CC3CCC2CC3)nc1 ZINC001235009776 978951456 /nfs/dbraw/zinc/95/14/56/978951456.db2.gz AZNJJMHHGIIJGQ-UHFFFAOYSA-N 1 2 221.279 1.990 20 0 BDADLO Fc1cnc(C[N@H+]2CC3CCC2CC3)nc1 ZINC001235009776 978951459 /nfs/dbraw/zinc/95/14/59/978951459.db2.gz AZNJJMHHGIIJGQ-UHFFFAOYSA-N 1 2 221.279 1.990 20 0 BDADLO Cc1cnc(CNC(=O)[C@@H](C)n2cc[nH+]c2)o1 ZINC001339984512 978951699 /nfs/dbraw/zinc/95/16/99/978951699.db2.gz ZEWOAFSXTQKGTN-SECBINFHSA-N 1 2 234.259 1.057 20 0 BDADLO C[N@H+](Cc1ncc(F)cn1)[C@H]1CCCOC1 ZINC001235023612 978954403 /nfs/dbraw/zinc/95/44/03/978954403.db2.gz QGPBBWVIZIOMID-JTQLQIEISA-N 1 2 225.267 1.227 20 0 BDADLO C[N@@H+](Cc1ncc(F)cn1)[C@H]1CCCOC1 ZINC001235023612 978954405 /nfs/dbraw/zinc/95/44/05/978954405.db2.gz QGPBBWVIZIOMID-JTQLQIEISA-N 1 2 225.267 1.227 20 0 BDADLO Fc1cnc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)nc1 ZINC001235017054 978954978 /nfs/dbraw/zinc/95/49/78/978954978.db2.gz LHNZYPJHXGYXSF-KOLCDFICSA-N 1 2 237.278 1.227 20 0 BDADLO Fc1cnc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)nc1 ZINC001235017054 978954982 /nfs/dbraw/zinc/95/49/82/978954982.db2.gz LHNZYPJHXGYXSF-KOLCDFICSA-N 1 2 237.278 1.227 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncc(F)cn2)[C@@H](C)C1 ZINC001235020953 978955659 /nfs/dbraw/zinc/95/56/59/978955659.db2.gz JJTOACYZUYAHMJ-GXSJLCMTSA-N 1 2 239.294 1.615 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncc(F)cn2)[C@@H](C)C1 ZINC001235020953 978955665 /nfs/dbraw/zinc/95/56/65/978955665.db2.gz JJTOACYZUYAHMJ-GXSJLCMTSA-N 1 2 239.294 1.615 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2ncc(F)cn2)[C@H](C)C1 ZINC001235020954 978955992 /nfs/dbraw/zinc/95/59/92/978955992.db2.gz JJTOACYZUYAHMJ-KOLCDFICSA-N 1 2 239.294 1.615 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2ncc(F)cn2)[C@H](C)C1 ZINC001235020954 978955996 /nfs/dbraw/zinc/95/59/96/978955996.db2.gz JJTOACYZUYAHMJ-KOLCDFICSA-N 1 2 239.294 1.615 20 0 BDADLO Cc1nnc(-c2ccc(C[NH+]3CC(O)C3)cc2)o1 ZINC001235044257 978960124 /nfs/dbraw/zinc/96/01/24/978960124.db2.gz HKNFDWLJFHCDMM-UHFFFAOYSA-N 1 2 245.282 1.222 20 0 BDADLO C[C@H](C(=O)N1CC[C@]2(CCOC2)C1)n1cc[nH+]c1 ZINC001340235302 978994138 /nfs/dbraw/zinc/99/41/38/978994138.db2.gz BGTUKASGAORNJR-YPMHNXCESA-N 1 2 249.314 1.083 20 0 BDADLO Cc1cccc(F)c1C(=O)NCCn1cc[nH+]c1 ZINC001340363977 979016078 /nfs/dbraw/zinc/01/60/78/979016078.db2.gz NGRKLBDOBHGSNG-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO Cc1cnc(F)c(C[N@@H+]2CCn3nccc3C2)c1 ZINC001235342804 979030866 /nfs/dbraw/zinc/03/08/66/979030866.db2.gz LFZKPLIWIXYIDH-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cnc(F)c(C[N@H+]2CCn3nccc3C2)c1 ZINC001235342804 979030868 /nfs/dbraw/zinc/03/08/68/979030868.db2.gz LFZKPLIWIXYIDH-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO COc1cncc(C[N@H+](C)C2(C)COC2)c1C ZINC001235466177 979048360 /nfs/dbraw/zinc/04/83/60/979048360.db2.gz YMKPUZVQCXYLIE-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO COc1cncc(C[N@@H+](C)C2(C)COC2)c1C ZINC001235466177 979048367 /nfs/dbraw/zinc/04/83/67/979048367.db2.gz YMKPUZVQCXYLIE-UHFFFAOYSA-N 1 2 236.315 1.619 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cncc(F)c1Cl ZINC001235487614 979051118 /nfs/dbraw/zinc/05/11/18/979051118.db2.gz GJEVAXOXTGAXGP-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cncc(F)c1Cl ZINC001235487614 979051124 /nfs/dbraw/zinc/05/11/24/979051124.db2.gz GJEVAXOXTGAXGP-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO Cc1cc(CC(=O)Nc2c(C)c[nH+]cc2C)no1 ZINC001340809810 979115858 /nfs/dbraw/zinc/11/58/58/979115858.db2.gz FZBRJXIHYLAEKU-UHFFFAOYSA-N 1 2 245.282 1.598 20 0 BDADLO COC(C)(C)c1noc(CCc2c[nH]c[nH+]2)n1 ZINC001340959990 979175783 /nfs/dbraw/zinc/17/57/83/979175783.db2.gz KDNXURRABCKELS-UHFFFAOYSA-N 1 2 236.275 1.459 20 0 BDADLO [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989182 979273191 /nfs/dbraw/zinc/27/31/91/979273191.db2.gz IGFXDGSVQKSZCZ-FZMZJTMJSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001235989182 979273202 /nfs/dbraw/zinc/27/32/02/979273202.db2.gz IGFXDGSVQKSZCZ-FZMZJTMJSA-N 1 2 246.310 1.308 20 0 BDADLO CCC1(CC)C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001181887889 979360688 /nfs/dbraw/zinc/36/06/88/979360688.db2.gz JHCUZQNXEKDHGC-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO Nc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236252862 979473035 /nfs/dbraw/zinc/47/30/35/979473035.db2.gz QRPIDZZXRMHDGA-LLVKDONJSA-N 1 2 205.305 1.192 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]([NH3+])C(F)F)cnc1C ZINC001341607972 979487075 /nfs/dbraw/zinc/48/70/75/979487075.db2.gz PUOJTNLSYMNZAL-SECBINFHSA-N 1 2 243.257 1.619 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2C[C@H]2c2ccccc2F)C1 ZINC001182290516 979491586 /nfs/dbraw/zinc/49/15/86/979491586.db2.gz ZTOILIYBRVEVGL-RYUDHWBXSA-N 1 2 248.301 1.359 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2cccs2)o1 ZINC001341626638 979497283 /nfs/dbraw/zinc/49/72/83/979497283.db2.gz WYNNZXBDNMZXFP-UHFFFAOYSA-N 1 2 237.328 1.978 20 0 BDADLO Nc1ccc(-c2cccc3c2CNC3=O)c[nH+]1 ZINC001236312394 979516063 /nfs/dbraw/zinc/51/60/63/979516063.db2.gz OJIYIDMDDGIXPJ-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO Nc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001236311487 979517375 /nfs/dbraw/zinc/51/73/75/979517375.db2.gz BBGKREVLXQJPGR-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Cc1c(C(N)=O)cccc1-c1ccc(N)[nH+]c1 ZINC001236313630 979520719 /nfs/dbraw/zinc/52/07/19/979520719.db2.gz RXHLLABTNDLCAE-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO NC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1F ZINC001236314635 979522935 /nfs/dbraw/zinc/52/29/35/979522935.db2.gz CZDZTWFIANITNG-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO O=C(C(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC001182668835 979588667 /nfs/dbraw/zinc/58/86/67/979588667.db2.gz KYUFBRWWDMMSNS-UHFFFAOYSA-N 1 2 247.298 1.026 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C(=O)[O-])[N@H+](C)C1CC1 ZINC001604333491 979620394 /nfs/dbraw/zinc/62/03/94/979620394.db2.gz WQWLKDGMOXYHDI-FSZOTQKASA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C(=O)[O-])[N@@H+](C)C1CC1 ZINC001604333491 979620400 /nfs/dbraw/zinc/62/04/00/979620400.db2.gz WQWLKDGMOXYHDI-FSZOTQKASA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@@H]1C(=O)[O-])[N@H+](C)C1CC1 ZINC001604333493 979622093 /nfs/dbraw/zinc/62/20/93/979622093.db2.gz WQWLKDGMOXYHDI-QSFUFRPTSA-N 1 2 240.347 1.168 20 0 BDADLO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@@H]1C(=O)[O-])[N@@H+](C)C1CC1 ZINC001604333493 979622101 /nfs/dbraw/zinc/62/21/01/979622101.db2.gz WQWLKDGMOXYHDI-QSFUFRPTSA-N 1 2 240.347 1.168 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nccnc2Cl)C1 ZINC001236607203 979677109 /nfs/dbraw/zinc/67/71/09/979677109.db2.gz CHMLKSKAKHDWNR-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236607203 979677117 /nfs/dbraw/zinc/67/71/17/979677117.db2.gz CHMLKSKAKHDWNR-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604753604 979716207 /nfs/dbraw/zinc/71/62/07/979716207.db2.gz DUBLJKLYSDZYMG-IJLUTSLNSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604753604 979716221 /nfs/dbraw/zinc/71/62/21/979716221.db2.gz DUBLJKLYSDZYMG-IJLUTSLNSA-N 1 2 240.347 1.171 20 0 BDADLO C[N@H+](CCF)Cc1cc(-c2nn[nH]n2)cs1 ZINC001604758497 979718678 /nfs/dbraw/zinc/71/86/78/979718678.db2.gz BCIWCGBTWIOAMG-UHFFFAOYSA-N 1 2 241.295 1.330 20 0 BDADLO C[N@@H+](CCF)Cc1cc(-c2nn[nH]n2)cs1 ZINC001604758497 979718683 /nfs/dbraw/zinc/71/86/83/979718683.db2.gz BCIWCGBTWIOAMG-UHFFFAOYSA-N 1 2 241.295 1.330 20 0 BDADLO Cn1ncc2c1CC[N@H+](CC1OC=CC1=S)C2 ZINC001237184712 979837045 /nfs/dbraw/zinc/83/70/45/979837045.db2.gz PBTLKTYPVKFLNY-UHFFFAOYSA-N 1 2 249.339 1.860 20 0 BDADLO Cn1ncc2c1CC[N@@H+](CC1OC=CC1=S)C2 ZINC001237184712 979837047 /nfs/dbraw/zinc/83/70/47/979837047.db2.gz PBTLKTYPVKFLNY-UHFFFAOYSA-N 1 2 249.339 1.860 20 0 BDADLO Oc1cc(F)cc(C[NH+]2CC3(COC3)C2)c1 ZINC001237284604 979861099 /nfs/dbraw/zinc/86/10/99/979861099.db2.gz KLIPFZCHPKPPSY-UHFFFAOYSA-N 1 2 223.247 1.364 20 0 BDADLO COCC1C[NH+](Cc2cc3ccccn3n2)C1 ZINC001237443746 979894745 /nfs/dbraw/zinc/89/47/45/979894745.db2.gz WERSXRSDDAWCAF-UHFFFAOYSA-N 1 2 231.299 1.413 20 0 BDADLO C[C@]1(C(=O)NCCNc2cccc[nH+]2)C=CCC1 ZINC001342865071 979923146 /nfs/dbraw/zinc/92/31/46/979923146.db2.gz XEKKCTVZVRYAKD-AWEZNQCLSA-N 1 2 245.326 1.966 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(Cl)ccnc2F)C[C@H]1O ZINC001183991601 979924969 /nfs/dbraw/zinc/92/49/69/979924969.db2.gz MCBWYNMONHXBDI-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(Cl)ccnc2F)C[C@H]1O ZINC001183991601 979924964 /nfs/dbraw/zinc/92/49/64/979924964.db2.gz MCBWYNMONHXBDI-OIBJUYFYSA-N 1 2 244.697 1.687 20 0 BDADLO CCc1ccccc1C[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001184002499 979928801 /nfs/dbraw/zinc/92/88/01/979928801.db2.gz RCFQJYWAZABJGY-ZDUSSCGKSA-N 1 2 245.326 1.795 20 0 BDADLO CCn1c[nH+]cc1CN1CCC(=O)C(C)(C)C1 ZINC001237596927 979944164 /nfs/dbraw/zinc/94/41/64/979944164.db2.gz JTCZYCLBCJXBRG-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001606028605 979946161 /nfs/dbraw/zinc/94/61/61/979946161.db2.gz WFYHWLCSOLBBBW-UHFFFAOYSA-N 1 2 239.319 1.096 20 0 BDADLO C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001606028605 979946169 /nfs/dbraw/zinc/94/61/69/979946169.db2.gz WFYHWLCSOLBBBW-UHFFFAOYSA-N 1 2 239.319 1.096 20 0 BDADLO CCn1c[nH+]cc1CN1CC(O)(C(F)(F)F)C1 ZINC001237588386 979951878 /nfs/dbraw/zinc/95/18/78/979951878.db2.gz RSXVSDPJWVDYSF-UHFFFAOYSA-N 1 2 249.236 1.012 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@H]2CCCOC2)n1 ZINC001237638945 979990972 /nfs/dbraw/zinc/99/09/72/979990972.db2.gz IVUOMFAYIFUJLS-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1coc(C[N@H+](C)[C@H]2CCCOC2)n1 ZINC001237638945 979990981 /nfs/dbraw/zinc/99/09/81/979990981.db2.gz IVUOMFAYIFUJLS-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237644938 979993821 /nfs/dbraw/zinc/99/38/21/979993821.db2.gz BLAFCHGXTBNYOJ-LSJOCFKGSA-N 1 2 223.295 1.762 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237644938 979993828 /nfs/dbraw/zinc/99/38/28/979993828.db2.gz BLAFCHGXTBNYOJ-LSJOCFKGSA-N 1 2 223.295 1.762 20 0 BDADLO CC(=O)C1CC[NH+](Cc2nc(C)co2)CC1 ZINC001237644565 979994466 /nfs/dbraw/zinc/99/44/66/979994466.db2.gz FHXRNQRBFFCUQC-UHFFFAOYSA-N 1 2 222.288 1.784 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237644935 979994522 /nfs/dbraw/zinc/99/45/22/979994522.db2.gz BLAFCHGXTBNYOJ-INTQDDNPSA-N 1 2 223.295 1.762 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237644935 979994531 /nfs/dbraw/zinc/99/45/31/979994531.db2.gz BLAFCHGXTBNYOJ-INTQDDNPSA-N 1 2 223.295 1.762 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCOC[C@@H]1C ZINC001237652498 979998185 /nfs/dbraw/zinc/99/81/85/979998185.db2.gz UXNFTVDWZRKLRD-VIFPVBQESA-N 1 2 209.293 1.193 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCOC[C@@H]1C ZINC001237652498 979998193 /nfs/dbraw/zinc/99/81/93/979998193.db2.gz UXNFTVDWZRKLRD-VIFPVBQESA-N 1 2 209.293 1.193 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001237646541 979999461 /nfs/dbraw/zinc/99/94/61/979999461.db2.gz LZPXUIHKQLAGAW-PHIMTYICSA-N 1 2 233.315 1.668 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001237646541 979999465 /nfs/dbraw/zinc/99/94/65/979999465.db2.gz LZPXUIHKQLAGAW-PHIMTYICSA-N 1 2 233.315 1.668 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2cn[nH]c2CC)C1 ZINC001237651830 980013538 /nfs/dbraw/zinc/01/35/38/980013538.db2.gz YUWQYLKCRFXYBP-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2cn[nH]c2CC)C1 ZINC001237651830 980013547 /nfs/dbraw/zinc/01/35/47/980013547.db2.gz YUWQYLKCRFXYBP-LBPRGKRZSA-N 1 2 237.347 1.973 20 0 BDADLO NC(=O)c1cccc(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001237696677 980029039 /nfs/dbraw/zinc/02/90/39/980029039.db2.gz FNLKBBPOGRILES-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO NC(=O)c1cccc(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001237696677 980029046 /nfs/dbraw/zinc/02/90/46/980029046.db2.gz FNLKBBPOGRILES-UHFFFAOYSA-N 1 2 246.310 1.150 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@]3(CCO3)C2)nc1 ZINC001237807985 980054869 /nfs/dbraw/zinc/05/48/69/980054869.db2.gz LBCFPECBJGDIPU-ZDUSSCGKSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@]3(CCO3)C2)nc1 ZINC001237807985 980054882 /nfs/dbraw/zinc/05/48/82/980054882.db2.gz LBCFPECBJGDIPU-ZDUSSCGKSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1[nH]c(C[NH2+][C@H](CC(=O)[O-])C2CC2)c(C)[nH+]1 ZINC001607950422 980143545 /nfs/dbraw/zinc/14/35/45/980143545.db2.gz NXZWKNLEJCXRLM-SNVBAGLBSA-N 1 2 237.303 1.369 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NN1C[C@H]2CCC[C@@H]2C1 ZINC001608161256 980169514 /nfs/dbraw/zinc/16/95/14/980169514.db2.gz BDXRBCFDFBZEFP-GHMZBOCLSA-N 1 2 248.330 1.105 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NN1C[C@H]2CCC[C@@H]2C1 ZINC001608161256 980169526 /nfs/dbraw/zinc/16/95/26/980169526.db2.gz BDXRBCFDFBZEFP-GHMZBOCLSA-N 1 2 248.330 1.105 20 0 BDADLO Nc1ccnc(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001238159246 980186315 /nfs/dbraw/zinc/18/63/15/980186315.db2.gz HLUXNBVHWNSRJO-DTORHVGOSA-N 1 2 249.289 1.214 20 0 BDADLO Nc1ccnc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001238159246 980186324 /nfs/dbraw/zinc/18/63/24/980186324.db2.gz HLUXNBVHWNSRJO-DTORHVGOSA-N 1 2 249.289 1.214 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001185178394 980191440 /nfs/dbraw/zinc/19/14/40/980191440.db2.gz CTAOBXCNHBWIHB-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO Cc1ncncc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001238164804 980191566 /nfs/dbraw/zinc/19/15/66/980191566.db2.gz PIBGNKKRKYOZKC-LDYMZIIASA-N 1 2 209.268 1.717 20 0 BDADLO Cc1ncncc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001238164804 980191568 /nfs/dbraw/zinc/19/15/68/980191568.db2.gz PIBGNKKRKYOZKC-LDYMZIIASA-N 1 2 209.268 1.717 20 0 BDADLO Cc1ncncc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001238165195 980195058 /nfs/dbraw/zinc/19/50/58/980195058.db2.gz SGPYSXZCYLFOOK-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ncncc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001238165195 980195063 /nfs/dbraw/zinc/19/50/63/980195063.db2.gz SGPYSXZCYLFOOK-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO C[C@H]([NH3+])CONC(=O)[C@H](C)c1cccs1 ZINC001343798647 980243384 /nfs/dbraw/zinc/24/33/84/980243384.db2.gz PFUDNXDWNRQCBO-JGVFFNPUSA-N 1 2 228.317 1.247 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H]2C)c(C)c1 ZINC001238426898 980256009 /nfs/dbraw/zinc/25/60/09/980256009.db2.gz OLAZORKRNZFVRF-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H]2C)c(C)c1 ZINC001238426898 980256017 /nfs/dbraw/zinc/25/60/17/980256017.db2.gz OLAZORKRNZFVRF-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO CCc1cc(N2CC[C@H](C)[C@@H](O)C2)nc(CC)[nH+]1 ZINC001185969528 980308592 /nfs/dbraw/zinc/30/85/92/980308592.db2.gz NELXNPCUTPAVMF-JQWIXIFHSA-N 1 2 249.358 1.809 20 0 BDADLO COCCNC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001186494124 980379796 /nfs/dbraw/zinc/37/97/96/980379796.db2.gz ZAJMZVWBZQMKJL-UHFFFAOYSA-N 1 2 248.286 1.411 20 0 BDADLO C=Cc1ccc(C(=O)NC2C[NH+](C)C2)cc1 ZINC001186526704 980390348 /nfs/dbraw/zinc/39/03/48/980390348.db2.gz OBRBIGIRRLFZPJ-UHFFFAOYSA-N 1 2 216.284 1.373 20 0 BDADLO CC(C)n1c[nH+]cc1CNC(=O)NCC1CC1 ZINC001186638440 980426987 /nfs/dbraw/zinc/42/69/87/980426987.db2.gz JDHZSJAPUSSEGI-UHFFFAOYSA-N 1 2 236.319 1.673 20 0 BDADLO c1cn(Cc2ccc(-c3cnoc3)nc2)c[nH+]1 ZINC001239170880 980482233 /nfs/dbraw/zinc/48/22/33/980482233.db2.gz DVGXQTLTTUJYQZ-UHFFFAOYSA-N 1 2 226.239 1.981 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1(C2CC2)CC1 ZINC001344849790 980485324 /nfs/dbraw/zinc/48/53/24/980485324.db2.gz COMLQNQYIBWRMM-LLVKDONJSA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1(C2CC2)CC1 ZINC001344849790 980485327 /nfs/dbraw/zinc/48/53/27/980485327.db2.gz COMLQNQYIBWRMM-LLVKDONJSA-N 1 2 241.306 1.764 20 0 BDADLO CCn1c[nH+]cc1COC(=O)Cc1ccoc1 ZINC001344971524 980509862 /nfs/dbraw/zinc/50/98/62/980509862.db2.gz HWCBDSWONMOFRW-UHFFFAOYSA-N 1 2 234.255 1.782 20 0 BDADLO Cc1oncc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC001345400449 980607136 /nfs/dbraw/zinc/60/71/36/980607136.db2.gz MOBGWTQCVFCETF-LLVKDONJSA-N 1 2 249.318 1.598 20 0 BDADLO CCOCC1(c2nnc(C[NH+](C)C)o2)CC1 ZINC001345571465 980635420 /nfs/dbraw/zinc/63/54/20/980635420.db2.gz YPBJICZLIHIXHU-UHFFFAOYSA-N 1 2 225.292 1.199 20 0 BDADLO CCn1nnnc1SCc1ccc(C)[nH+]c1C ZINC001188479189 980647105 /nfs/dbraw/zinc/64/71/05/980647105.db2.gz AJVRRVYWNBLYDV-UHFFFAOYSA-N 1 2 249.343 1.997 20 0 BDADLO COc1cc2[nH+]ccn2cc1C1=CCOC1 ZINC001239490537 980648234 /nfs/dbraw/zinc/64/82/34/980648234.db2.gz PREBWGYXQUVUHU-UHFFFAOYSA-N 1 2 216.240 1.757 20 0 BDADLO COc1cc(CC[NH+]2CCOCC2)cnc1F ZINC001250276708 980650694 /nfs/dbraw/zinc/65/06/94/980650694.db2.gz MMMKFXUIOYMXPZ-UHFFFAOYSA-N 1 2 240.278 1.104 20 0 BDADLO COc1ncc(CC[NH+]2CCOCC2)cc1C ZINC001250277835 980650735 /nfs/dbraw/zinc/65/07/35/980650735.db2.gz PDODTOAIPJBJHA-UHFFFAOYSA-N 1 2 236.315 1.273 20 0 BDADLO C[N@H+](CC(=O)OC[C@@H]1CCO1)Cc1ccccc1 ZINC001346033970 980735834 /nfs/dbraw/zinc/73/58/34/980735834.db2.gz BQOYNDSEGLVTRS-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO C[N@@H+](CC(=O)OC[C@@H]1CCO1)Cc1ccccc1 ZINC001346033970 980735840 /nfs/dbraw/zinc/73/58/40/980735840.db2.gz BQOYNDSEGLVTRS-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO CCc1[nH]nc2ncc(CCn3cc[nH+]c3)cc12 ZINC001250318915 980757155 /nfs/dbraw/zinc/75/71/55/980757155.db2.gz MEGPINQNISVLDT-UHFFFAOYSA-N 1 2 241.298 1.960 20 0 BDADLO CC(C)n1nccc1CCn1cc[nH+]c1 ZINC001250318891 980759385 /nfs/dbraw/zinc/75/93/85/980759385.db2.gz KZMRSNNNNDKYIW-UHFFFAOYSA-N 1 2 204.277 1.903 20 0 BDADLO CCCNc1cc(N[C@@H](CO)C(C)C)nc[nH+]1 ZINC000156832907 980798367 /nfs/dbraw/zinc/79/83/67/980798367.db2.gz ZOCDNPCOZMCIBZ-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1c[nH]c(=O)[nH]1 ZINC001189536378 980804030 /nfs/dbraw/zinc/80/40/30/980804030.db2.gz MKRDEGOQYBBJIZ-UHFFFAOYSA-N 1 2 243.226 1.015 20 0 BDADLO CC(C)C(NC(=O)C[C@@H]([NH3+])C(F)F)C(C)C ZINC001346397300 980825697 /nfs/dbraw/zinc/82/56/97/980825697.db2.gz YSDKHQUYDOSSGZ-MRVPVSSYSA-N 1 2 236.306 1.766 20 0 BDADLO CCc1cn(CCc2nnn(C(C)(C)C)n2)c[nH+]1 ZINC001190104025 980847238 /nfs/dbraw/zinc/84/72/38/980847238.db2.gz OKCZFCSCWMMDJO-UHFFFAOYSA-N 1 2 248.334 1.430 20 0 BDADLO C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001346517829 980855111 /nfs/dbraw/zinc/85/51/11/980855111.db2.gz GSKUUMTUDOQMGZ-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cn1 ZINC001346841739 980919037 /nfs/dbraw/zinc/91/90/37/980919037.db2.gz GBDVRZDNGGYTSE-MWLCHTKSSA-N 1 2 244.302 1.371 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccnn1C ZINC001346867050 980922804 /nfs/dbraw/zinc/92/28/04/980922804.db2.gz FMIRSDBRZFSHMV-GUBZILKMSA-N 1 2 246.318 1.368 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC001347142555 980989650 /nfs/dbraw/zinc/98/96/50/980989650.db2.gz DLJBYYAOGVSQFK-FZMZJTMJSA-N 1 2 247.342 1.802 20 0 BDADLO C[NH+]1CC(NC(=O)NC2CCCCCC2)C1 ZINC001191278852 981008659 /nfs/dbraw/zinc/00/86/59/981008659.db2.gz WZXKQCTXBJCXHA-UHFFFAOYSA-N 1 2 225.336 1.322 20 0 BDADLO Cc1ccc(-c2ccc(C(N)=O)cc2)[nH+]c1N ZINC001239869081 981010785 /nfs/dbraw/zinc/01/07/85/981010785.db2.gz JPIZRKXQABTBRN-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(C)o2)C1 ZINC001203293726 981160192 /nfs/dbraw/zinc/16/01/92/981160192.db2.gz ARFPPMSYUYGQPI-UHFFFAOYSA-N 1 2 223.272 1.583 20 0 BDADLO Fc1cnc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240218108 981166338 /nfs/dbraw/zinc/16/63/38/981166338.db2.gz AWBJVBOVDXTCEO-UHFFFAOYSA-N 1 2 214.203 1.930 20 0 BDADLO NC(=O)c1ccncc1-c1ccc2[nH+]ccn2c1 ZINC001240219583 981169665 /nfs/dbraw/zinc/16/96/65/981169665.db2.gz OUYVKVFMIIFXNG-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO CN(CC1=CCCOC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001347999735 981240101 /nfs/dbraw/zinc/24/01/01/981240101.db2.gz WMOHCKRUTGROGP-UHFFFAOYSA-N 1 2 249.314 1.147 20 0 BDADLO Cn1cc(-c2cc(-n3ccnc3)cc[nH+]2)cn1 ZINC001240295402 981245203 /nfs/dbraw/zinc/24/52/03/981245203.db2.gz ZXCLHEVCXRMLMN-UHFFFAOYSA-N 1 2 225.255 1.668 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]C(C)(C)c2cnn(C)c2)[nH]1 ZINC001193155037 981256475 /nfs/dbraw/zinc/25/64/75/981256475.db2.gz REFZKHUZIXIJBW-MRVPVSSYSA-N 1 2 248.334 1.433 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001348186964 981306070 /nfs/dbraw/zinc/30/60/70/981306070.db2.gz CMOYXHORQUVUGS-NWDGAFQWSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@]1(F)CCCN(c2cc(N)nc[nH+]2)C1 ZINC001348196387 981306249 /nfs/dbraw/zinc/30/62/49/981306249.db2.gz VLRZRFRFUNOJOS-SNVBAGLBSA-N 1 2 210.256 1.387 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccnc(F)c2C)n1C ZINC001348380778 981350907 /nfs/dbraw/zinc/35/09/07/981350907.db2.gz YZZVAPDDRFTNRU-UHFFFAOYSA-N 1 2 249.293 1.256 20 0 BDADLO CCn1cccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001348653211 981413833 /nfs/dbraw/zinc/41/38/33/981413833.db2.gz FZAFAJZNMSUSAP-UHFFFAOYSA-N 1 2 244.298 1.361 20 0 BDADLO COc1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496146 981416053 /nfs/dbraw/zinc/41/60/53/981416053.db2.gz ILUYWAYTYGBWLM-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO NC(=O)c1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497242 981418978 /nfs/dbraw/zinc/41/89/78/981418978.db2.gz ORVPFMBNFUTNCE-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cnccn1 ZINC001348955908 981487420 /nfs/dbraw/zinc/48/74/20/981487420.db2.gz RRZYKOWJJTWIGD-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cnccn1 ZINC001348955908 981487421 /nfs/dbraw/zinc/48/74/21/981487421.db2.gz RRZYKOWJJTWIGD-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@H]1F ZINC001349470801 981561401 /nfs/dbraw/zinc/56/14/01/981561401.db2.gz NDIGZNBVWIPVKN-GMTAPVOTSA-N 1 2 249.289 1.135 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CC1CC(F)(F)C1 ZINC001349721399 981674418 /nfs/dbraw/zinc/67/44/18/981674418.db2.gz RYQROHYBSKXJMN-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CCCO1 ZINC001349790996 981739149 /nfs/dbraw/zinc/73/91/49/981739149.db2.gz CPUQJJTXKDIFGW-NSHDSACASA-N 1 2 234.299 1.628 20 0 BDADLO CO[C@@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791303 981746635 /nfs/dbraw/zinc/74/66/35/981746635.db2.gz HCWFVAWVIBLAEK-VIFPVBQESA-N 1 2 208.261 1.094 20 0 BDADLO Cc1[nH]c(-c2cccc(NC(=O)CO)c2)[nH+]c1C ZINC001583354489 981812904 /nfs/dbraw/zinc/81/29/04/981812904.db2.gz BVUYTUFZSBHSEU-UHFFFAOYSA-N 1 2 245.282 1.624 20 0 BDADLO Cc1ccc(OC(=O)NC2C[NH+](C)C2)cc1 ZINC001194473168 981813350 /nfs/dbraw/zinc/81/33/50/981813350.db2.gz KJOHVENKSDCTOC-UHFFFAOYSA-N 1 2 220.272 1.397 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnc2ccccn12 ZINC001583877934 981841889 /nfs/dbraw/zinc/84/18/89/981841889.db2.gz RIOPNYIUBFACJO-UHFFFAOYSA-N 1 2 241.254 1.170 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cncnc1C ZINC001584257077 981861610 /nfs/dbraw/zinc/86/16/10/981861610.db2.gz NVIKKEKECYSPLZ-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)C(C)(F)F ZINC001350511723 981991454 /nfs/dbraw/zinc/99/14/54/981991454.db2.gz QQYWBQLWKXOJQG-QMMMGPOBSA-N 1 2 245.273 1.370 20 0 BDADLO CCCn1cc(NC(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC001586832170 982024820 /nfs/dbraw/zinc/02/48/20/982024820.db2.gz KVZFHBLFJYKHLE-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccco1 ZINC001586849750 982029389 /nfs/dbraw/zinc/02/93/89/982029389.db2.gz QKAAKGQUUBBOFZ-UHFFFAOYSA-N 1 2 233.271 1.213 20 0 BDADLO C/C=C(\C)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001350750182 982066092 /nfs/dbraw/zinc/06/60/92/982066092.db2.gz IUCNMYLEKQRYPU-WEVVVXLNSA-N 1 2 237.303 1.319 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N1CCOc2ccccc21 ZINC001587804804 982094082 /nfs/dbraw/zinc/09/40/82/982094082.db2.gz XSGAXYNWXHBVCA-UHFFFAOYSA-N 1 2 243.266 1.378 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cnnn1C ZINC001350977761 982143940 /nfs/dbraw/zinc/14/39/40/982143940.db2.gz LVRRYNYNIZLFTH-MRVPVSSYSA-N 1 2 247.302 1.531 20 0 BDADLO C1=CC[N@H+](Cc2noc3c2COCC3)CC1 ZINC001351184626 982229348 /nfs/dbraw/zinc/22/93/48/982229348.db2.gz YSCBHKXZIYHBDD-UHFFFAOYSA-N 1 2 220.272 1.509 20 0 BDADLO C1=CC[N@@H+](Cc2noc3c2COCC3)CC1 ZINC001351184626 982229362 /nfs/dbraw/zinc/22/93/62/982229362.db2.gz YSCBHKXZIYHBDD-UHFFFAOYSA-N 1 2 220.272 1.509 20 0 BDADLO Nc1cc(-c2cccc3c2CC(=O)N3)cc[nH+]1 ZINC001241162451 982302149 /nfs/dbraw/zinc/30/21/49/982302149.db2.gz JIUHLYMSJGKBLC-UHFFFAOYSA-N 1 2 225.251 1.825 20 0 BDADLO COC(=O)c1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241163851 982306358 /nfs/dbraw/zinc/30/63/58/982306358.db2.gz QTLYCZSFKVJZAP-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO Cn1nnc2cc(-c3cc[nH+]c(N)c3)ccc21 ZINC001241170330 982316165 /nfs/dbraw/zinc/31/61/65/982316165.db2.gz HZOTWHSQNVANTE-UHFFFAOYSA-N 1 2 225.255 1.613 20 0 BDADLO CC(=O)Nc1ccc(-c2cc[nH+]c(N)c2)c(C)n1 ZINC001241170391 982316285 /nfs/dbraw/zinc/31/62/85/982316285.db2.gz LXPUFKLDVYHNKK-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO NC(=O)Cc1ccccc1-c1cc[nH+]c(N)c1 ZINC001241170381 982317930 /nfs/dbraw/zinc/31/79/30/982317930.db2.gz LOELQNLAKDLHBC-UHFFFAOYSA-N 1 2 227.267 1.359 20 0 BDADLO CN(C)C(=O)c1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241170848 982319614 /nfs/dbraw/zinc/31/96/14/982319614.db2.gz UJIYKJKSBYKEML-UHFFFAOYSA-N 1 2 242.282 1.428 20 0 BDADLO Nc1cc(-c2cccc3c2NC(=O)NC3)cc[nH+]1 ZINC001241170449 982320142 /nfs/dbraw/zinc/32/01/42/982320142.db2.gz NZGXJGCFLQBYNO-UHFFFAOYSA-N 1 2 240.266 1.966 20 0 BDADLO CCc1[nH]c(CNC(=O)OC2CCC2)c[nH+]1 ZINC001195635981 982328553 /nfs/dbraw/zinc/32/85/53/982328553.db2.gz SKDUCAHVJWZOIA-UHFFFAOYSA-N 1 2 223.276 1.751 20 0 BDADLO CCc1[nH]cc(CNC(=O)OC2CCC2)[nH+]1 ZINC001195635981 982328558 /nfs/dbraw/zinc/32/85/58/982328558.db2.gz SKDUCAHVJWZOIA-UHFFFAOYSA-N 1 2 223.276 1.751 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001195833987 982363098 /nfs/dbraw/zinc/36/30/98/982363098.db2.gz ILDHNZNOUDXKMX-MWLCHTKSSA-N 1 2 206.293 1.222 20 0 BDADLO c1nn[nH]c1CC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001195833987 982363104 /nfs/dbraw/zinc/36/31/04/982363104.db2.gz ILDHNZNOUDXKMX-MWLCHTKSSA-N 1 2 206.293 1.222 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1ccnc(N)n1 ZINC001241235981 982385542 /nfs/dbraw/zinc/38/55/42/982385542.db2.gz YMUGNGGNXYNXML-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(=O)n(C)c1 ZINC001241243429 982386420 /nfs/dbraw/zinc/38/64/20/982386420.db2.gz SUFOPVZUNDTXHO-UHFFFAOYSA-N 1 2 244.298 1.217 20 0 BDADLO Cc1cncc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC001203174814 982390223 /nfs/dbraw/zinc/39/02/23/982390223.db2.gz HJWPXZDICLXBOZ-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1cncc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC001203174814 982390227 /nfs/dbraw/zinc/39/02/27/982390227.db2.gz HJWPXZDICLXBOZ-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO C[C@H](C(=O)NCC(C)(C)C1CC1)n1cc[nH+]c1 ZINC001351833615 982398207 /nfs/dbraw/zinc/39/82/07/982398207.db2.gz HUTFPPKLBPZJPV-SNVBAGLBSA-N 1 2 235.331 1.997 20 0 BDADLO O=C(NCCC(F)F)N1CCn2c[nH+]cc2C1 ZINC001351925506 982412444 /nfs/dbraw/zinc/41/24/44/982412444.db2.gz UNNMZAUDWSCQOC-UHFFFAOYSA-N 1 2 244.245 1.064 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2Cc3cn[nH]c3C[C@@H](C)C2)O1 ZINC001197787027 982592915 /nfs/dbraw/zinc/59/29/15/982592915.db2.gz TWTWKHYISVHSKJ-NTZNESFSSA-N 1 2 249.358 1.971 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2Cc3cn[nH]c3C[C@@H](C)C2)O1 ZINC001197787025 982594524 /nfs/dbraw/zinc/59/45/24/982594524.db2.gz TWTWKHYISVHSKJ-NQBHXWOUSA-N 1 2 249.358 1.971 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@@H+](CC2(C)COC2)C1 ZINC001197787990 982595587 /nfs/dbraw/zinc/59/55/87/982595587.db2.gz ZHWKASUFQUIDIL-SNVBAGLBSA-N 1 2 235.331 1.440 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@H+](CC2(C)COC2)C1 ZINC001197787990 982595601 /nfs/dbraw/zinc/59/56/01/982595601.db2.gz ZHWKASUFQUIDIL-SNVBAGLBSA-N 1 2 235.331 1.440 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)C1CCCC1 ZINC001352854573 982604626 /nfs/dbraw/zinc/60/46/26/982604626.db2.gz LPNOSVMASOODEC-LLVKDONJSA-N 1 2 249.358 1.905 20 0 BDADLO C[NH+]1CC(NC(=O)c2cccc(C3CCC3)n2)C1 ZINC001197875438 982618515 /nfs/dbraw/zinc/61/85/15/982618515.db2.gz RMNUAWIDLIHLGZ-UHFFFAOYSA-N 1 2 245.326 1.393 20 0 BDADLO c1nnc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)[nH]1 ZINC001352929836 982639838 /nfs/dbraw/zinc/63/98/38/982639838.db2.gz MBEXEYFLJOZXGS-JTQLQIEISA-N 1 2 236.319 1.386 20 0 BDADLO Cc1cnc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)o1 ZINC001353241083 982801274 /nfs/dbraw/zinc/80/12/74/982801274.db2.gz ZUDWNDPRPPTIHX-QWRGUYRKSA-N 1 2 239.319 1.504 20 0 BDADLO CCc1cnc(C[NH2+]C[C@@H](O)c2ccccn2)o1 ZINC001353325410 982837683 /nfs/dbraw/zinc/83/76/83/982837683.db2.gz AUDQLRARXSGZSR-GFCCVEGCSA-N 1 2 247.298 1.455 20 0 BDADLO Cc1cc(-c2cnc(N)nc2C)cn2cc[nH+]c12 ZINC001241646477 982888071 /nfs/dbraw/zinc/88/80/71/982888071.db2.gz DUSZBGYEHBZCDB-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO Nc1cc(N[C@H](CCO)c2ccccc2)[nH+]cn1 ZINC001354002418 983113455 /nfs/dbraw/zinc/11/34/55/983113455.db2.gz JEHPADHNNSTGDF-LLVKDONJSA-N 1 2 244.298 1.594 20 0 BDADLO CNC(=O)c1ccccc1Nc1ccc(N)[nH+]c1 ZINC001201286958 983162736 /nfs/dbraw/zinc/16/27/36/983162736.db2.gz KHVDIZAWZZUBJR-UHFFFAOYSA-N 1 2 242.282 1.767 20 0 BDADLO Cn1nc(Nc2ccc(N)[nH+]c2)c2cccnc21 ZINC001201272570 983172451 /nfs/dbraw/zinc/17/24/51/983172451.db2.gz QDQFWORRJGFDPJ-UHFFFAOYSA-N 1 2 240.270 1.689 20 0 BDADLO Nc1ccc(Nc2c(F)cncc2F)c[nH+]1 ZINC001201272586 983173746 /nfs/dbraw/zinc/17/37/46/983173746.db2.gz RBBGVQDJTRKBBF-UHFFFAOYSA-N 1 2 222.198 1.503 20 0 BDADLO Cc1cc(C(N)=O)c(Nc2ccc(N)[nH+]c2)s1 ZINC001201275951 983176336 /nfs/dbraw/zinc/17/63/36/983176336.db2.gz NMMRGIISJGWWGR-UHFFFAOYSA-N 1 2 248.311 1.876 20 0 BDADLO Nc1ccc(Nc2cnn3cccnc23)c[nH+]1 ZINC001201275873 983177354 /nfs/dbraw/zinc/17/73/54/983177354.db2.gz LZCNPGNDPBWZLK-UHFFFAOYSA-N 1 2 226.243 1.450 20 0 BDADLO COc1cccnc1Nc1ccc(N)[nH+]c1 ZINC001201276591 983177375 /nfs/dbraw/zinc/17/73/75/983177375.db2.gz WZTJNCKBXWCIIY-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO NC(=O)c1cccc(F)c1Nc1ccc(N)[nH+]c1 ZINC001201294571 983181665 /nfs/dbraw/zinc/18/16/65/983181665.db2.gz FTNSNPBRRQXMDL-UHFFFAOYSA-N 1 2 246.245 1.645 20 0 BDADLO CN1C(=O)Cc2cc(-c3[nH]cc[nH+]3)ccc21 ZINC001242016266 983216004 /nfs/dbraw/zinc/21/60/04/983216004.db2.gz YFNUDJHCZQXFML-UHFFFAOYSA-N 1 2 213.240 1.596 20 0 BDADLO NC(=O)c1cc(-c2[nH]cc[nH+]2)ccc1F ZINC001242017490 983216933 /nfs/dbraw/zinc/21/69/33/983216933.db2.gz NBPTWPIRPGFOOM-UHFFFAOYSA-N 1 2 205.192 1.315 20 0 BDADLO O=C1CC[N@@H+](C[C@@H]2CC=CCC2)C[C@H]1F ZINC001201423799 983224712 /nfs/dbraw/zinc/22/47/12/983224712.db2.gz SSSKJYRYLXWMFP-GHMZBOCLSA-N 1 2 211.280 1.956 20 0 BDADLO O=C1CC[N@H+](C[C@@H]2CC=CCC2)C[C@H]1F ZINC001201423799 983224722 /nfs/dbraw/zinc/22/47/22/983224722.db2.gz SSSKJYRYLXWMFP-GHMZBOCLSA-N 1 2 211.280 1.956 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001201427971 983229314 /nfs/dbraw/zinc/22/93/14/983229314.db2.gz OKOBKHUFRVJKHX-VWYCJHECSA-N 1 2 207.273 1.342 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201427971 983229324 /nfs/dbraw/zinc/22/93/24/983229324.db2.gz OKOBKHUFRVJKHX-VWYCJHECSA-N 1 2 207.273 1.342 20 0 BDADLO CC(C)C[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001201463908 983231651 /nfs/dbraw/zinc/23/16/51/983231651.db2.gz OONPYPBPTZIKSU-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO CC(C)C[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001201463908 983231661 /nfs/dbraw/zinc/23/16/61/983231661.db2.gz OONPYPBPTZIKSU-VIFPVBQESA-N 1 2 207.264 1.734 20 0 BDADLO Cc1cc(C)c(CN2C(=O)NC3(CC3)C2=O)c[nH+]1 ZINC001354269109 983244268 /nfs/dbraw/zinc/24/42/68/983244268.db2.gz IBYDFWXYXWLTJI-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO CCC(CC)C[N@@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001201534372 983289148 /nfs/dbraw/zinc/28/91/48/983289148.db2.gz GZYCAYBMSBFFMS-ZDUSSCGKSA-N 1 2 243.347 1.687 20 0 BDADLO CCC(CC)C[N@H+]1CCOC[C@@]1(C)C(=O)OC ZINC001201534372 983289156 /nfs/dbraw/zinc/28/91/56/983289156.db2.gz GZYCAYBMSBFFMS-ZDUSSCGKSA-N 1 2 243.347 1.687 20 0 BDADLO COc1cc(OC)nc(-c2c[nH+]c(N)cc2C)n1 ZINC001242071238 983305616 /nfs/dbraw/zinc/30/56/16/983305616.db2.gz XLBZOFDFPVWILY-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc(F)c(C)n1 ZINC001242072545 983310085 /nfs/dbraw/zinc/31/00/85/983310085.db2.gz LLJASUHCDKHEGK-UHFFFAOYSA-N 1 2 218.235 1.877 20 0 BDADLO CCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201704489 983417241 /nfs/dbraw/zinc/41/72/41/983417241.db2.gz VIMCPCVYEAIVOA-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO CCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201704489 983417249 /nfs/dbraw/zinc/41/72/49/983417249.db2.gz VIMCPCVYEAIVOA-SECBINFHSA-N 1 2 207.264 1.736 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cccn2C2CC2)C[C@H]1F ZINC001355372966 983480623 /nfs/dbraw/zinc/48/06/23/983480623.db2.gz HKMMTUAGRVAJHI-OLZOCXBDSA-N 1 2 238.306 1.728 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cccn2C2CC2)C[C@H]1F ZINC001355372966 983480641 /nfs/dbraw/zinc/48/06/41/983480641.db2.gz HKMMTUAGRVAJHI-OLZOCXBDSA-N 1 2 238.306 1.728 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccn2C2CC2)C[C@H]1F ZINC001355372963 983481472 /nfs/dbraw/zinc/48/14/72/983481472.db2.gz HKMMTUAGRVAJHI-CHWSQXEVSA-N 1 2 238.306 1.728 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccn2C2CC2)C[C@H]1F ZINC001355372963 983481475 /nfs/dbraw/zinc/48/14/75/983481475.db2.gz HKMMTUAGRVAJHI-CHWSQXEVSA-N 1 2 238.306 1.728 20 0 BDADLO c1nn(C2CCOCC2)c2c1C[N@@H+](CC1CC1)C2 ZINC001201951300 983519909 /nfs/dbraw/zinc/51/99/09/983519909.db2.gz BLOUTVGMGPPTGT-UHFFFAOYSA-N 1 2 247.342 1.960 20 0 BDADLO c1nn(C2CCOCC2)c2c1C[N@H+](CC1CC1)C2 ZINC001201951300 983519913 /nfs/dbraw/zinc/51/99/13/983519913.db2.gz BLOUTVGMGPPTGT-UHFFFAOYSA-N 1 2 247.342 1.960 20 0 BDADLO Nc1cccc(-c2ccc(-n3ccnn3)cc2)[nH+]1 ZINC001242413084 983725017 /nfs/dbraw/zinc/72/50/17/983725017.db2.gz RTZLGKJPHOIKKQ-UHFFFAOYSA-N 1 2 237.266 1.912 20 0 BDADLO C[C@@H](C[N@H+](C)CN1CCC1=O)c1nccs1 ZINC000857234183 983798769 /nfs/dbraw/zinc/79/87/69/983798769.db2.gz NITLCNALTRNMML-VIFPVBQESA-N 1 2 239.344 1.368 20 0 BDADLO C[C@@H](C[N@@H+](C)CN1CCC1=O)c1nccs1 ZINC000857234183 983798777 /nfs/dbraw/zinc/79/87/77/983798777.db2.gz NITLCNALTRNMML-VIFPVBQESA-N 1 2 239.344 1.368 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccnc(F)c1 ZINC000859111548 983804252 /nfs/dbraw/zinc/80/42/52/983804252.db2.gz BNWCPLOSLKIMPY-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccnc(F)c1 ZINC000859111548 983804255 /nfs/dbraw/zinc/80/42/55/983804255.db2.gz BNWCPLOSLKIMPY-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CCC[C@@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001252770414 983872864 /nfs/dbraw/zinc/87/28/64/983872864.db2.gz BTDNHDQSBNSUQK-LLVKDONJSA-N 1 2 243.347 1.613 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834674 983894133 /nfs/dbraw/zinc/89/41/33/983894133.db2.gz UKEIMPUGLSIWRO-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473834674 983894139 /nfs/dbraw/zinc/89/41/39/983894139.db2.gz UKEIMPUGLSIWRO-GHMZBOCLSA-N 1 2 249.314 1.218 20 0 BDADLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(CO)o1 ZINC000873187113 983898886 /nfs/dbraw/zinc/89/88/86/983898886.db2.gz LOOXLOOEAMTBCS-SNVBAGLBSA-N 1 2 247.298 1.721 20 0 BDADLO CC(C)n1nccc1C[NH2+][C@H]1CCn2ccnc21 ZINC001474155318 983899479 /nfs/dbraw/zinc/89/94/79/983899479.db2.gz FSOWCFDGXZHGCW-LBPRGKRZSA-N 1 2 245.330 1.895 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001137870385 983938864 /nfs/dbraw/zinc/93/88/64/983938864.db2.gz QHGRCEFOAUKTJS-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO Cc1cc(-c2c[nH]c(=O)c(F)c2)c[nH+]c1N ZINC001242616629 984002233 /nfs/dbraw/zinc/00/22/33/984002233.db2.gz VBGYUYNHQUOXTK-UHFFFAOYSA-N 1 2 219.219 1.879 20 0 BDADLO c1c(C[NH+]2CC3(CCC3)C2)nn2c1CCC2 ZINC001560875659 984010209 /nfs/dbraw/zinc/01/02/09/984010209.db2.gz AEKKTAWVVUKTTL-UHFFFAOYSA-N 1 2 217.316 1.815 20 0 BDADLO Cc1c[nH+]c(Nc2cccc(=O)[nH]2)c(N)c1 ZINC001212787994 984021883 /nfs/dbraw/zinc/02/18/83/984021883.db2.gz XDXRLONFQMKAKE-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO CO[C@@H](C[NH2+]Cc1nccs1)C(F)(F)F ZINC000379945550 984038070 /nfs/dbraw/zinc/03/80/70/984038070.db2.gz QOQLGPGILBFXJY-LURJTMIESA-N 1 2 240.250 1.810 20 0 BDADLO CCCNC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001202603323 984112624 /nfs/dbraw/zinc/11/26/24/984112624.db2.gz DPDWRQVLSVYQCJ-UHFFFAOYSA-N 1 2 236.319 1.817 20 0 BDADLO CCCCC[C@@H](O)C[NH2+]Cc1noc(C)n1 ZINC001253519705 984188205 /nfs/dbraw/zinc/18/82/05/984188205.db2.gz QRRZWGUQJODNEW-SNVBAGLBSA-N 1 2 227.308 1.409 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717398394 984188751 /nfs/dbraw/zinc/18/87/51/984188751.db2.gz VJNWLWYDJVGMQU-NSHDSACASA-N 1 2 223.320 1.623 20 0 BDADLO Cc1c(-c2ccn3cc(N)[nH+]c3c2)cnn1C ZINC001240381293 984254896 /nfs/dbraw/zinc/25/48/96/984254896.db2.gz IMJBBPXJBXAQIQ-UHFFFAOYSA-N 1 2 227.271 1.625 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000389344772 984330453 /nfs/dbraw/zinc/33/04/53/984330453.db2.gz TYEZLUTWZWMREL-RNFRBKRXSA-N 1 2 225.210 1.432 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000389344772 984330460 /nfs/dbraw/zinc/33/04/60/984330460.db2.gz TYEZLUTWZWMREL-RNFRBKRXSA-N 1 2 225.210 1.432 20 0 BDADLO COc1cccc([C@H](O)C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718306511 984427473 /nfs/dbraw/zinc/42/74/73/984427473.db2.gz MPTJLUCZAZKFPL-FPMFFAJLSA-N 1 2 249.310 1.202 20 0 BDADLO COc1cccc([C@H](O)C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718306511 984427488 /nfs/dbraw/zinc/42/74/88/984427488.db2.gz MPTJLUCZAZKFPL-FPMFFAJLSA-N 1 2 249.310 1.202 20 0 BDADLO CCONC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001440852036 984439872 /nfs/dbraw/zinc/43/98/72/984439872.db2.gz LFKMOZSVWHFGCZ-UHFFFAOYSA-N 1 2 245.282 1.483 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(-n2nccn2)cc1 ZINC001243070483 984495841 /nfs/dbraw/zinc/49/58/41/984495841.db2.gz FSNIBPADTNBFJU-UHFFFAOYSA-N 1 2 225.255 1.668 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(C2(C)OCCO2)nc1 ZINC001243070888 984499063 /nfs/dbraw/zinc/49/90/63/984499063.db2.gz AQAMWAMGPHFNRB-UHFFFAOYSA-N 1 2 245.282 1.702 20 0 BDADLO CC(=O)Nc1cc(C)c(-c2c[nH+]cn2C)cn1 ZINC001243071717 984500447 /nfs/dbraw/zinc/50/04/47/984500447.db2.gz YZZPHWOPJKOXEA-UHFFFAOYSA-N 1 2 230.271 1.749 20 0 BDADLO Cn1c[nH+]cc1-c1cnc2c(c1)C1(CC1)C(=O)N2 ZINC001243072638 984502940 /nfs/dbraw/zinc/50/29/40/984502940.db2.gz SOBYONNKTZGQSE-UHFFFAOYSA-N 1 2 240.266 1.466 20 0 BDADLO Cc1c(-c2c[nH+]cn2C)ccc2c1NC(=O)CO2 ZINC001243072496 984506076 /nfs/dbraw/zinc/50/60/76/984506076.db2.gz QAHQTIJYTLKJCI-UHFFFAOYSA-N 1 2 243.266 1.726 20 0 BDADLO COc1cnccc1-c1ccc[nH+]c1N ZINC001243074194 984507921 /nfs/dbraw/zinc/50/79/21/984507921.db2.gz CXQHKQLGRPCEJQ-UHFFFAOYSA-N 1 2 201.229 1.734 20 0 BDADLO COC(=O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001243148836 984608859 /nfs/dbraw/zinc/60/88/59/984608859.db2.gz XCGUCTRRNLVFTD-UHFFFAOYSA-N 1 2 229.239 1.512 20 0 BDADLO C/C(=C/C[N@@H+]1CCc2[nH+]ccc(N)c2C1)C(=O)[O-] ZINC001588961163 984735160 /nfs/dbraw/zinc/73/51/60/984735160.db2.gz JLYVXNTXSIMIFH-OQFOIZHKSA-N 1 2 247.298 1.053 20 0 BDADLO C/C(=C/C[N@H+]1CCc2[nH+]ccc(N)c2C1)C(=O)[O-] ZINC001588961163 984735166 /nfs/dbraw/zinc/73/51/66/984735166.db2.gz JLYVXNTXSIMIFH-OQFOIZHKSA-N 1 2 247.298 1.053 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(NC)nc1 ZINC001577767682 984761982 /nfs/dbraw/zinc/76/19/82/984761982.db2.gz OOSFISQSOPTBOJ-SNVBAGLBSA-N 1 2 234.303 1.156 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(NC)nc1 ZINC001577767682 984761996 /nfs/dbraw/zinc/76/19/96/984761996.db2.gz OOSFISQSOPTBOJ-SNVBAGLBSA-N 1 2 234.303 1.156 20 0 BDADLO C[C@@H](C(=O)Nc1c(O)cccc1F)n1cc[nH+]c1 ZINC001453016925 984982248 /nfs/dbraw/zinc/98/22/48/984982248.db2.gz PFEAXUXSOIRENY-QMMMGPOBSA-N 1 2 249.245 1.928 20 0 BDADLO Cc1c(-c2ccc[nH+]c2N)ccc2ncnn21 ZINC001243473364 985023632 /nfs/dbraw/zinc/02/36/32/985023632.db2.gz AGDUKCBCJWNTIQ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1cn2cc(-c3ccc[nH+]c3N)cnc2n1 ZINC001243475000 985029418 /nfs/dbraw/zinc/02/94/18/985029418.db2.gz VGIXKTWHIWSKEB-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CCc1nnc2ccc(-c3ccc[nH+]c3N)cn21 ZINC001243475490 985032540 /nfs/dbraw/zinc/03/25/40/985032540.db2.gz JVYFQJSYYCJWOO-UHFFFAOYSA-N 1 2 239.282 1.936 20 0 BDADLO CC(C)Oc1ncc(-c2ccc[nH+]c2N)cn1 ZINC001243477918 985037174 /nfs/dbraw/zinc/03/71/74/985037174.db2.gz RQMWKXMXXKECCH-UHFFFAOYSA-N 1 2 230.271 1.908 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2c(c1)CCCN2 ZINC001243476505 985037862 /nfs/dbraw/zinc/03/78/62/985037862.db2.gz DRNYIXMBBUUDGY-UHFFFAOYSA-N 1 2 226.283 1.727 20 0 BDADLO COC(C[NH2+][C@@H](C)c1nnc(C)s1)OC ZINC000380202450 985072654 /nfs/dbraw/zinc/07/26/54/985072654.db2.gz UTUOLRVYGVFAIU-LURJTMIESA-N 1 2 231.321 1.116 20 0 BDADLO CCc1[nH]c(CNC(=O)c2cccn2C)c[nH+]1 ZINC001456145108 985107350 /nfs/dbraw/zinc/10/73/50/985107350.db2.gz ZBSHEOPLQWMFDH-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2cccn2C)[nH+]1 ZINC001456145108 985107358 /nfs/dbraw/zinc/10/73/58/985107358.db2.gz ZBSHEOPLQWMFDH-UHFFFAOYSA-N 1 2 232.287 1.241 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccc(=O)[nH]c2)c[nH+]1 ZINC001456138529 985112909 /nfs/dbraw/zinc/11/29/09/985112909.db2.gz JLJUPUCLZIGREH-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccc(=O)[nH]c2)[nH+]1 ZINC001456138529 985112917 /nfs/dbraw/zinc/11/29/17/985112917.db2.gz JLJUPUCLZIGREH-UHFFFAOYSA-N 1 2 246.270 1.003 20 0 BDADLO CCc1[nH]c(CNC(=O)c2ccccc2)c[nH+]1 ZINC001456141896 985115776 /nfs/dbraw/zinc/11/57/76/985115776.db2.gz XKPFOFNZMBNYRG-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2ccccc2)[nH+]1 ZINC001456141896 985115788 /nfs/dbraw/zinc/11/57/88/985115788.db2.gz XKPFOFNZMBNYRG-UHFFFAOYSA-N 1 2 229.283 1.902 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N)[nH+]c2)[C@@H](C)O1 ZINC000686427157 985118726 /nfs/dbraw/zinc/11/87/26/985118726.db2.gz OLIKIAWEBOGWMS-FXPVBKGRSA-N 1 2 249.314 1.094 20 0 BDADLO Cc1nonc1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456339679 985132581 /nfs/dbraw/zinc/13/25/81/985132581.db2.gz DFQYGIVRQQSXHQ-UHFFFAOYSA-N 1 2 249.274 1.155 20 0 BDADLO Cc1nonc1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456339679 985132590 /nfs/dbraw/zinc/13/25/90/985132590.db2.gz DFQYGIVRQQSXHQ-UHFFFAOYSA-N 1 2 249.274 1.155 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+]Cc1cnn3c1CCC3)CC2 ZINC001327253714 985206341 /nfs/dbraw/zinc/20/63/41/985206341.db2.gz HAEKNZLXSFWVRN-NSHDSACASA-N 1 2 243.314 1.260 20 0 BDADLO CNc1ccc(NC(=O)Cc2c[nH+]cn2C)cn1 ZINC001578758722 985325866 /nfs/dbraw/zinc/32/58/66/985325866.db2.gz LXXNCNFFAUWPLB-UHFFFAOYSA-N 1 2 245.286 1.038 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)C[C@@H]1CCCOC1 ZINC001459575629 985534158 /nfs/dbraw/zinc/53/41/58/985534158.db2.gz BBICHAYZOAPXFP-UWVGGRQHSA-N 1 2 241.360 1.958 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC001459575629 985534181 /nfs/dbraw/zinc/53/41/81/985534181.db2.gz BBICHAYZOAPXFP-UWVGGRQHSA-N 1 2 241.360 1.958 20 0 BDADLO CC(=O)Nc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243947598 985625344 /nfs/dbraw/zinc/62/53/44/985625344.db2.gz MNILLVQQIWOJAY-UHFFFAOYSA-N 1 2 218.260 1.159 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCc2cncs2)no1 ZINC001459908358 985659373 /nfs/dbraw/zinc/65/93/73/985659373.db2.gz AKRNAMUOWTWRFJ-SSDOTTSWSA-N 1 2 238.316 1.728 20 0 BDADLO C[C@H](c1csnn1)[NH+]1CCC(C)(CO)CC1 ZINC001459907705 985662950 /nfs/dbraw/zinc/66/29/50/985662950.db2.gz JGZJMVNVGYEDIQ-SECBINFHSA-N 1 2 241.360 1.694 20 0 BDADLO COC[C@H]([NH3+])C(=O)O[C@@H]1CCCC(C)(C)C1 ZINC001579089918 985707941 /nfs/dbraw/zinc/70/79/41/985707941.db2.gz ALTOIZUQDQIBPC-ZJUUUORDSA-N 1 2 229.320 1.472 20 0 BDADLO Cn1cnc(C[NH2+]C/C=C\c2ccc(F)cc2)n1 ZINC001461359704 986043648 /nfs/dbraw/zinc/04/36/48/986043648.db2.gz WYVSGRVRBVZWEC-IHWYPQMZSA-N 1 2 246.289 1.757 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cccc(O)c2)[nH]1 ZINC001461403233 986055082 /nfs/dbraw/zinc/05/50/82/986055082.db2.gz YBYIHSAMPBMALL-SECBINFHSA-N 1 2 246.314 1.924 20 0 BDADLO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1nnc(CO)[nH]1 ZINC001461840341 986189984 /nfs/dbraw/zinc/18/99/84/986189984.db2.gz CQEYZQDXIVPENN-VHSXEESVSA-N 1 2 238.335 1.213 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(F)c1CO ZINC001244562252 986250507 /nfs/dbraw/zinc/25/05/07/986250507.db2.gz VFCYKRWTEUPDJY-UHFFFAOYSA-N 1 2 206.220 1.719 20 0 BDADLO Cc1n[nH]c(NC(=O)[C@](C)(C[NH3+])CC(C)C)n1 ZINC001579864571 986287507 /nfs/dbraw/zinc/28/75/07/986287507.db2.gz YESKYOWXGLTITL-NSHDSACASA-N 1 2 239.323 1.063 20 0 BDADLO C[N@H+](CCCO)Cc1ccc(O)c(F)c1F ZINC001462152683 986298820 /nfs/dbraw/zinc/29/88/20/986298820.db2.gz XQXAWIBKNIMPQF-UHFFFAOYSA-N 1 2 231.242 1.485 20 0 BDADLO C[N@@H+](CCCO)Cc1ccc(O)c(F)c1F ZINC001462152683 986298831 /nfs/dbraw/zinc/29/88/31/986298831.db2.gz XQXAWIBKNIMPQF-UHFFFAOYSA-N 1 2 231.242 1.485 20 0 BDADLO CCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096308119 986388367 /nfs/dbraw/zinc/38/83/67/986388367.db2.gz XEDQHBOZOWQQHA-LLVKDONJSA-N 1 2 248.330 1.280 20 0 BDADLO Fc1cccc2c1CC[C@H]2[NH2+]Cc1cnn[nH]1 ZINC000398366380 986478583 /nfs/dbraw/zinc/47/85/83/986478583.db2.gz PFKIHEHHTWLDDY-GFCCVEGCSA-N 1 2 232.262 1.721 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)no1 ZINC001262011090 986533785 /nfs/dbraw/zinc/53/37/85/986533785.db2.gz YEEHMKYEFHTJKQ-QXEWZRGKSA-N 1 2 239.319 1.986 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCCSC1 ZINC001262643535 986576322 /nfs/dbraw/zinc/57/63/22/986576322.db2.gz UUYDBKNVJKFSMM-UHFFFAOYSA-N 1 2 239.344 1.586 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(F)CC1 ZINC000689456268 986616774 /nfs/dbraw/zinc/61/67/74/986616774.db2.gz HZHLKAPFIZYWAQ-UHFFFAOYSA-N 1 2 226.255 1.006 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(F)CC1 ZINC000689456268 986616778 /nfs/dbraw/zinc/61/67/78/986616778.db2.gz HZHLKAPFIZYWAQ-UHFFFAOYSA-N 1 2 226.255 1.006 20 0 BDADLO Cc1[nH]c([C@H]2CCCN2C(=O)N(C)C)[nH+]c1C ZINC001464516606 986636775 /nfs/dbraw/zinc/63/67/75/986636775.db2.gz MRAIETLTDVCWEH-SNVBAGLBSA-N 1 2 236.319 1.845 20 0 BDADLO COCNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001245118444 986666206 /nfs/dbraw/zinc/66/62/06/986666206.db2.gz AGYXIFNXMZQHCI-UHFFFAOYSA-N 1 2 245.282 1.421 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC001464885207 986669278 /nfs/dbraw/zinc/66/92/78/986669278.db2.gz VCAGPGQURGVATH-VIFPVBQESA-N 1 2 243.257 1.435 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC001464885202 986670436 /nfs/dbraw/zinc/67/04/36/986670436.db2.gz VCAGPGQURGVATH-SECBINFHSA-N 1 2 243.257 1.435 20 0 BDADLO O=S1(=O)CC=C(c2ccn3cc[nH+]c3c2)CC1 ZINC001245207879 986729214 /nfs/dbraw/zinc/72/92/14/986729214.db2.gz AOJGMZSTANZHFZ-UHFFFAOYSA-N 1 2 248.307 1.536 20 0 BDADLO COCn1cc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245221196 986743457 /nfs/dbraw/zinc/74/34/57/986743457.db2.gz RHTHKIVBAUBNDD-UHFFFAOYSA-N 1 2 218.260 1.440 20 0 BDADLO O=C1C[C@@H]2CC([NH+]3C[C@@H](F)[C@H](F)C3)C[C@H]2C1 ZINC001254944675 986755244 /nfs/dbraw/zinc/75/52/44/986755244.db2.gz CTPUMARSKAAWRZ-LDDIKCJXSA-N 1 2 229.270 1.736 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCn3cncc3C2)[nH]1 ZINC001137329623 986785083 /nfs/dbraw/zinc/78/50/83/986785083.db2.gz HLEATFIVPDSADU-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCn3cncc3C2)[nH]1 ZINC001137329623 986785095 /nfs/dbraw/zinc/78/50/95/986785095.db2.gz HLEATFIVPDSADU-UHFFFAOYSA-N 1 2 230.315 1.844 20 0 BDADLO COC(=O)C1([NH2+][C@H]2CCSC2)CCCCC1 ZINC001255268428 986880867 /nfs/dbraw/zinc/88/08/67/986880867.db2.gz IVXQEBZBCRTPFA-JTQLQIEISA-N 1 2 243.372 1.957 20 0 BDADLO CCN(Cc1ccnc(C)c1)C1C[NH+](C)C1 ZINC001137418231 986889107 /nfs/dbraw/zinc/88/91/07/986889107.db2.gz QTZIPVIIAXPKGN-UHFFFAOYSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cc(-c2nccc3c2C(=O)NC3)c[nH+]c1N ZINC001245534984 986909834 /nfs/dbraw/zinc/90/98/34/986909834.db2.gz DDIWBAQABUKTTR-UHFFFAOYSA-N 1 2 240.266 1.278 20 0 BDADLO Cc1cc(-c2ccnc(N(C)C)n2)c[nH+]c1N ZINC001245536216 986914243 /nfs/dbraw/zinc/91/42/43/986914243.db2.gz RJCKJXQLJRNYGZ-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO CC(=O)Nc1cccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245536659 986914474 /nfs/dbraw/zinc/91/44/74/986914474.db2.gz XGMUHQMJGOMMHE-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO Cc1cc(-c2cnc3n[nH]nc3c2)c[nH+]c1N ZINC001245538178 986920293 /nfs/dbraw/zinc/92/02/93/986920293.db2.gz XOQSTBHIFDKWKG-UHFFFAOYSA-N 1 2 226.243 1.306 20 0 BDADLO CNC(=O)c1cccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245537258 986921509 /nfs/dbraw/zinc/92/15/09/986921509.db2.gz HKJMAGDKZKEFGP-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO CC(=O)Nc1cc(-c2c[nH+]c(N)c(C)c2)ccn1 ZINC001245538840 986923554 /nfs/dbraw/zinc/92/35/54/986923554.db2.gz IKFHDJAGCOVJOX-UHFFFAOYSA-N 1 2 242.282 1.993 20 0 BDADLO Cc1cc(-c2cn3ncnc3cc2F)c[nH+]c1N ZINC001245540723 986923843 /nfs/dbraw/zinc/92/38/43/986923843.db2.gz FZHYRDMFIQHNMR-UHFFFAOYSA-N 1 2 243.245 1.821 20 0 BDADLO Cc1cc(-c2cccc(=O)n2C)c[nH+]c1N ZINC001245539503 986924692 /nfs/dbraw/zinc/92/46/92/986924692.db2.gz MFZUCWDXFVUVEZ-UHFFFAOYSA-N 1 2 215.256 1.338 20 0 BDADLO C[C@@H](NC(=S)NC1C[NH+](C)C1)c1ccccc1 ZINC001245543660 986929244 /nfs/dbraw/zinc/92/92/44/986929244.db2.gz YPMYANVMOTUFJX-SNVBAGLBSA-N 1 2 249.383 1.526 20 0 BDADLO Cc1cc(-c2cc(F)cn3ncnc23)c[nH+]c1N ZINC001245541137 986929912 /nfs/dbraw/zinc/92/99/12/986929912.db2.gz MAZSLPWIYZVYNF-UHFFFAOYSA-N 1 2 243.245 1.821 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)F ZINC001468856307 986945824 /nfs/dbraw/zinc/94/58/24/986945824.db2.gz GEZXHMRQKSQXEY-SSDOTTSWSA-N 1 2 217.219 1.043 20 0 BDADLO CCC(CC)([NH2+][C@@H](C)COC)C(=O)OC ZINC001255567683 987017368 /nfs/dbraw/zinc/01/73/68/987017368.db2.gz YCKQHIHQIAILBF-VIFPVBQESA-N 1 2 217.309 1.343 20 0 BDADLO c1cn(CCc2nnc([C@H]3CCOC3)o2)c[nH+]1 ZINC001255530332 987001350 /nfs/dbraw/zinc/00/13/50/987001350.db2.gz DTTIUEGTWYVTMY-VIFPVBQESA-N 1 2 234.259 1.013 20 0 BDADLO COC[C@H](C)[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001255562961 987016025 /nfs/dbraw/zinc/01/60/25/987016025.db2.gz HDFULAGFASLOOK-ONGXEEELSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC=CO1 ZINC001470394141 987040276 /nfs/dbraw/zinc/04/02/76/987040276.db2.gz LXYIAAMRUQTFHY-LLVKDONJSA-N 1 2 243.266 1.966 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1[C@H](C)CC(F)(F)F ZINC001255645505 987045858 /nfs/dbraw/zinc/04/58/58/987045858.db2.gz GADXQGZFGUHTFO-HTQZYQBOSA-N 1 2 239.237 1.965 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1[C@H](C)CC(F)(F)F ZINC001255645505 987045872 /nfs/dbraw/zinc/04/58/72/987045872.db2.gz GADXQGZFGUHTFO-HTQZYQBOSA-N 1 2 239.237 1.965 20 0 BDADLO COC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1N ZINC001245900044 987129574 /nfs/dbraw/zinc/12/95/74/987129574.db2.gz IGJHANKXJHBEOI-UHFFFAOYSA-N 1 2 243.266 1.700 20 0 BDADLO Cc1ccc(Cn2[nH]c(C[NH3+])cc2=O)cc1 ZINC001245923989 987170046 /nfs/dbraw/zinc/17/00/46/987170046.db2.gz LMZSFSRRDJBFQP-UHFFFAOYSA-N 1 2 217.272 1.404 20 0 BDADLO Cc1nc(-n2[nH]c(C[NH3+])cc2=O)sc1C ZINC001245925156 987174167 /nfs/dbraw/zinc/17/41/67/987174167.db2.gz URAKXBONYXGLRH-UHFFFAOYSA-N 1 2 224.289 1.110 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1C1CCCCC1 ZINC001245927010 987178268 /nfs/dbraw/zinc/17/82/68/987178268.db2.gz IURUWCGRFCKMFQ-UHFFFAOYSA-N 1 2 221.304 1.781 20 0 BDADLO Cc1nc(NCCN(C)C(=O)C2CCC2)cc[nH+]1 ZINC001101498402 987191164 /nfs/dbraw/zinc/19/11/64/987191164.db2.gz UTUJGDWDLDFYRK-UHFFFAOYSA-N 1 2 248.330 1.455 20 0 BDADLO C[C@H](C(=O)NCc1ccc(O)cc1)n1cc[nH+]c1 ZINC001115900635 987407563 /nfs/dbraw/zinc/40/75/63/987407563.db2.gz SIBWBHLZVTVMIO-SNVBAGLBSA-N 1 2 245.282 1.466 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC001473387791 987415974 /nfs/dbraw/zinc/41/59/74/987415974.db2.gz MECUKPWOXBLYJD-OUAUKWLOSA-N 1 2 249.301 1.239 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H]1CCCC[C@H]1O ZINC001473387791 987415981 /nfs/dbraw/zinc/41/59/81/987415981.db2.gz MECUKPWOXBLYJD-OUAUKWLOSA-N 1 2 249.301 1.239 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(C)CC1 ZINC001116097829 987444418 /nfs/dbraw/zinc/44/44/18/987444418.db2.gz YNISFDJXSNLGLE-SECBINFHSA-N 1 2 222.292 1.123 20 0 BDADLO C[C@@H](C(=O)N1CCSC[C@H]1C)n1cc[nH+]c1 ZINC001116105067 987446840 /nfs/dbraw/zinc/44/68/40/987446840.db2.gz CXGUBLBHABPQDF-ZJUUUORDSA-N 1 2 239.344 1.408 20 0 BDADLO CCC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(C)=O ZINC001116171384 987462015 /nfs/dbraw/zinc/46/20/15/987462015.db2.gz SQINKMLHFHLOFC-VXGBXAGGSA-N 1 2 241.331 1.772 20 0 BDADLO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(C)=O ZINC001116171384 987462023 /nfs/dbraw/zinc/46/20/23/987462023.db2.gz SQINKMLHFHLOFC-VXGBXAGGSA-N 1 2 241.331 1.772 20 0 BDADLO C[C@H](C(=O)NCC1(C)CCC1)n1cc[nH+]c1 ZINC001116226535 987490731 /nfs/dbraw/zinc/49/07/31/987490731.db2.gz WVUSPHFPPBQDQX-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO COCc1nnc2n1CC[N@@H+](CC=C(C)C)C2 ZINC001473618719 987508209 /nfs/dbraw/zinc/50/82/09/987508209.db2.gz UZWPYBDQEBYPQC-UHFFFAOYSA-N 1 2 236.319 1.206 20 0 BDADLO COCc1nnc2n1CC[N@H+](CC=C(C)C)C2 ZINC001473618719 987508221 /nfs/dbraw/zinc/50/82/21/987508221.db2.gz UZWPYBDQEBYPQC-UHFFFAOYSA-N 1 2 236.319 1.206 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1ncccn1 ZINC001473753168 987543490 /nfs/dbraw/zinc/54/34/90/987543490.db2.gz RMXWNDXVEHNXQY-UHFFFAOYSA-N 1 2 231.246 1.190 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1ncccn1 ZINC001473753168 987543493 /nfs/dbraw/zinc/54/34/93/987543493.db2.gz RMXWNDXVEHNXQY-UHFFFAOYSA-N 1 2 231.246 1.190 20 0 BDADLO O=C(c1cnco1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001116395352 987551897 /nfs/dbraw/zinc/55/18/97/987551897.db2.gz CODFUGKSFAGERK-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO O=C(c1cnco1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001116395352 987551906 /nfs/dbraw/zinc/55/19/06/987551906.db2.gz CODFUGKSFAGERK-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO c1cc(C[NH2+]CCn2cnc3ccccc32)[nH]n1 ZINC001473961916 987624198 /nfs/dbraw/zinc/62/41/98/987624198.db2.gz RWUTUYVWUCCJFL-UHFFFAOYSA-N 1 2 241.298 1.549 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2cccnc2C)[nH]1 ZINC001474097428 987642536 /nfs/dbraw/zinc/64/25/36/987642536.db2.gz OBGFOFDUXQWBHC-JTQLQIEISA-N 1 2 245.330 1.921 20 0 BDADLO OC[C@@H]([NH2+]Cc1cccn1C1CC1)c1ncc[nH]1 ZINC001474724027 987810784 /nfs/dbraw/zinc/81/07/84/987810784.db2.gz MTULHEJSXZDPAW-GFCCVEGCSA-N 1 2 246.314 1.369 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCCC1(F)F)n1cc[nH+]c1 ZINC001117673243 987859215 /nfs/dbraw/zinc/85/92/15/987859215.db2.gz GGAQVHYVQNBPOZ-DTWKUNHWSA-N 1 2 243.257 1.748 20 0 BDADLO COC(=O)NC1C[NH+](Cc2cccc(C)c2C)C1 ZINC001117813906 987935922 /nfs/dbraw/zinc/93/59/22/987935922.db2.gz GGTBZXSBZQEDKO-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO C[C@@H]1OCC[C@@H]1c1nnc(Cn2cc[nH+]c2)o1 ZINC001118257930 988157947 /nfs/dbraw/zinc/15/79/47/988157947.db2.gz JRIRJSYBBNIIBA-IUCAKERBSA-N 1 2 234.259 1.207 20 0 BDADLO C[C@@]1(C(=O)NCC2C[NH+](CCF)C2)C=CCC1 ZINC001494584798 988164714 /nfs/dbraw/zinc/16/47/14/988164714.db2.gz NUHIHQBACSCTCO-CYBMUJFWSA-N 1 2 240.322 1.360 20 0 BDADLO C[C@@H](C(=O)NC1CC=CC1)n1cc[nH+]c1 ZINC001118298872 988205157 /nfs/dbraw/zinc/20/51/57/988205157.db2.gz TZXIXBGSNBQMCW-VIFPVBQESA-N 1 2 205.261 1.279 20 0 BDADLO C[NH+](C)Cc1nnc([C@H]2CC=CCC2)o1 ZINC001322338335 988212854 /nfs/dbraw/zinc/21/28/54/988212854.db2.gz BKCWVTPDUWKAEF-VIFPVBQESA-N 1 2 207.277 1.955 20 0 BDADLO CC1(C)C[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)CO1 ZINC001246603454 988214726 /nfs/dbraw/zinc/21/47/26/988214726.db2.gz YTVWKDKWIWSMGA-DTWKUNHWSA-N 1 2 234.290 1.222 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@H]1C)n1cc[nH+]c1 ZINC001322398086 988242376 /nfs/dbraw/zinc/24/23/76/988242376.db2.gz UTQOTZHBUJICOE-ZJUUUORDSA-N 1 2 207.277 1.455 20 0 BDADLO CS[C@@H](C)CCc1nnc(C[NH+](C)C)o1 ZINC001118360986 988250211 /nfs/dbraw/zinc/25/02/11/988250211.db2.gz RCDOYAXXYOSULM-QMMMGPOBSA-N 1 2 229.349 1.815 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2CCCOCC2)o1 ZINC001118372564 988277736 /nfs/dbraw/zinc/27/77/36/988277736.db2.gz YVFVEEXABYISBO-SECBINFHSA-N 1 2 225.292 1.415 20 0 BDADLO CCC[C@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001118495813 988382728 /nfs/dbraw/zinc/38/27/28/988382728.db2.gz DBUZMVUILZFVHY-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CCC[C@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001118495813 988382739 /nfs/dbraw/zinc/38/27/39/988382739.db2.gz DBUZMVUILZFVHY-JTQLQIEISA-N 1 2 208.309 1.817 20 0 BDADLO CC[N@H+](CCc1ccccc1)Cc1nnc[nH]1 ZINC001118493031 988383335 /nfs/dbraw/zinc/38/33/35/988383335.db2.gz QSDYFFAJCDGHJV-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO CC[N@@H+](CCc1ccccc1)Cc1nnc[nH]1 ZINC001118493031 988383348 /nfs/dbraw/zinc/38/33/48/988383348.db2.gz QSDYFFAJCDGHJV-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO FC1(F)C[C@@]12CCC[N@H+](Cc1nnc[nH]1)C2 ZINC001118501269 988397216 /nfs/dbraw/zinc/39/72/16/988397216.db2.gz TWCLWWHSKRAIHQ-SECBINFHSA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@@]12CCC[N@@H+](Cc1nnc[nH]1)C2 ZINC001118501269 988397227 /nfs/dbraw/zinc/39/72/27/988397227.db2.gz TWCLWWHSKRAIHQ-SECBINFHSA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@@]12CCC[N@H+](Cc1nc[nH]n1)C2 ZINC001118501269 988397238 /nfs/dbraw/zinc/39/72/38/988397238.db2.gz TWCLWWHSKRAIHQ-SECBINFHSA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@@]12CCC[N@@H+](Cc1nc[nH]n1)C2 ZINC001118501269 988397249 /nfs/dbraw/zinc/39/72/49/988397249.db2.gz TWCLWWHSKRAIHQ-SECBINFHSA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@]12CCC[N@H+](Cc1nnc[nH]1)C2 ZINC001118501270 988397590 /nfs/dbraw/zinc/39/75/90/988397590.db2.gz TWCLWWHSKRAIHQ-VIFPVBQESA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@]12CCC[N@@H+](Cc1nnc[nH]1)C2 ZINC001118501270 988397592 /nfs/dbraw/zinc/39/75/92/988397592.db2.gz TWCLWWHSKRAIHQ-VIFPVBQESA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@]12CCC[N@H+](Cc1nc[nH]n1)C2 ZINC001118501270 988397598 /nfs/dbraw/zinc/39/75/98/988397598.db2.gz TWCLWWHSKRAIHQ-VIFPVBQESA-N 1 2 228.246 1.426 20 0 BDADLO FC1(F)C[C@]12CCC[N@@H+](Cc1nc[nH]n1)C2 ZINC001118501270 988397602 /nfs/dbraw/zinc/39/76/02/988397602.db2.gz TWCLWWHSKRAIHQ-VIFPVBQESA-N 1 2 228.246 1.426 20 0 BDADLO COc1cccc(Cc2nnc(C[NH+](C)C)o2)c1 ZINC001322983721 988424008 /nfs/dbraw/zinc/42/40/08/988424008.db2.gz OOSUFNYQYZWMNC-UHFFFAOYSA-N 1 2 247.298 1.731 20 0 BDADLO CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001323338584 988503232 /nfs/dbraw/zinc/50/32/32/988503232.db2.gz AEKCCKRNZMFWKT-AYYIZTPMSA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001323338584 988503246 /nfs/dbraw/zinc/50/32/46/988503246.db2.gz AEKCCKRNZMFWKT-AYYIZTPMSA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001323338586 988503480 /nfs/dbraw/zinc/50/34/80/988503480.db2.gz AEKCCKRNZMFWKT-OAQKJQOQSA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001323338586 988503493 /nfs/dbraw/zinc/50/34/93/988503493.db2.gz AEKCCKRNZMFWKT-OAQKJQOQSA-N 1 2 244.766 1.976 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC001118724563 988524587 /nfs/dbraw/zinc/52/45/87/988524587.db2.gz BSGKRWQMANMACN-NXEZZACHSA-N 1 2 205.261 1.279 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)n[nH]1 ZINC001118756554 988553733 /nfs/dbraw/zinc/55/37/33/988553733.db2.gz GIIFAGMLHZASDA-KOLCDFICSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)n[nH]1 ZINC001118756554 988553745 /nfs/dbraw/zinc/55/37/45/988553745.db2.gz GIIFAGMLHZASDA-KOLCDFICSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1noc(C)c1NC(=O)Cc1c[nH+]cn1C ZINC001323593002 988561073 /nfs/dbraw/zinc/56/10/73/988561073.db2.gz ILYXAKVGHCSZNH-UHFFFAOYSA-N 1 2 234.259 1.206 20 0 BDADLO C[C@H](C(=O)NC[C@]1(C)CCCO1)n1cc[nH+]c1 ZINC001323739609 988601525 /nfs/dbraw/zinc/60/15/25/988601525.db2.gz YKILUHWSJYIEJB-PWSUYJOCSA-N 1 2 237.303 1.129 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(F)F ZINC001548718100 988663212 /nfs/dbraw/zinc/66/32/12/988663212.db2.gz WTUFNSLNSIDBTD-SFYZADRCSA-N 1 2 243.257 1.215 20 0 BDADLO FCC[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC001324255606 988762809 /nfs/dbraw/zinc/76/28/09/988762809.db2.gz PJTXNLIFIUFLEL-UHFFFAOYSA-N 1 2 238.310 1.721 20 0 BDADLO FCC[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC001324255606 988762821 /nfs/dbraw/zinc/76/28/21/988762821.db2.gz PJTXNLIFIUFLEL-UHFFFAOYSA-N 1 2 238.310 1.721 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001324372759 988818554 /nfs/dbraw/zinc/81/85/54/988818554.db2.gz DWOCOWVFLPKEPA-UTLUCORTSA-N 1 2 207.277 1.311 20 0 BDADLO OCCCCc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001247012658 988840260 /nfs/dbraw/zinc/84/02/60/988840260.db2.gz XXZACESPSGPZSI-UHFFFAOYSA-N 1 2 232.283 1.813 20 0 BDADLO CN(CC1(C)COC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001119108432 988840265 /nfs/dbraw/zinc/84/02/65/988840265.db2.gz WITHCWCZQVFTNC-NXEZZACHSA-N 1 2 249.314 1.008 20 0 BDADLO CN(CC1(C)COC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001119108432 988840266 /nfs/dbraw/zinc/84/02/66/988840266.db2.gz WITHCWCZQVFTNC-NXEZZACHSA-N 1 2 249.314 1.008 20 0 BDADLO OCCCc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001247012668 988840987 /nfs/dbraw/zinc/84/09/87/988840987.db2.gz YHHKQSXFYHBAIW-UHFFFAOYSA-N 1 2 218.256 1.423 20 0 BDADLO Cc1ccc(-c2noc(Cc3c[nH]c[nH+]3)n2)nc1 ZINC001247137895 988852712 /nfs/dbraw/zinc/85/27/12/988852712.db2.gz MSSHQHOMGYBFPZ-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(Cl)nn2)CC12CC2 ZINC001119245163 988859879 /nfs/dbraw/zinc/85/98/79/988859879.db2.gz MUBIFJCLSORACL-VIFPVBQESA-N 1 2 239.706 1.087 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(Cl)nn2)CC12CC2 ZINC001119245163 988859883 /nfs/dbraw/zinc/85/98/83/988859883.db2.gz MUBIFJCLSORACL-VIFPVBQESA-N 1 2 239.706 1.087 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CN1C(=O)CC1(C)C ZINC001324548061 988867615 /nfs/dbraw/zinc/86/76/15/988867615.db2.gz KZRADCWOLVFRDC-JTQLQIEISA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CN1C(=O)CC1(C)C ZINC001324548061 988867628 /nfs/dbraw/zinc/86/76/28/988867628.db2.gz KZRADCWOLVFRDC-JTQLQIEISA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H](C(=O)NC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001324604512 988890867 /nfs/dbraw/zinc/89/08/67/988890867.db2.gz MWUZFJHVTMYSDD-SSDOTTSWSA-N 1 2 229.230 1.358 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](CC1CC1)C(=O)OC)OC ZINC001119302231 988912250 /nfs/dbraw/zinc/91/22/50/988912250.db2.gz OTHIFMOEHDTRNI-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CCC[C@H](C[NH2+][C@H](CC1CC1)C(=O)OC)OC ZINC001119302236 988912352 /nfs/dbraw/zinc/91/23/52/988912352.db2.gz OTHIFMOEHDTRNI-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCSC1 ZINC001514643782 988921154 /nfs/dbraw/zinc/92/11/54/988921154.db2.gz CGJABWUGMDLLLG-RKDXNWHRSA-N 1 2 237.328 1.436 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCSC1 ZINC001514643782 988921160 /nfs/dbraw/zinc/92/11/60/988921160.db2.gz CGJABWUGMDLLLG-RKDXNWHRSA-N 1 2 237.328 1.436 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC001324764138 988975490 /nfs/dbraw/zinc/97/54/90/988975490.db2.gz NXSSYLJXWSPSAJ-VWYCJHECSA-N 1 2 237.303 1.128 20 0 BDADLO FC(F)c1nnc(N2CCn3c[nH+]cc3C2)o1 ZINC001324897098 989013408 /nfs/dbraw/zinc/01/34/08/989013408.db2.gz WRYCLESXNUJUBN-UHFFFAOYSA-N 1 2 241.201 1.224 20 0 BDADLO Cc1cnc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)o1 ZINC001119409958 989049779 /nfs/dbraw/zinc/04/97/79/989049779.db2.gz SMRARHORGYOFOK-NXEZZACHSA-N 1 2 225.292 1.114 20 0 BDADLO Cc1cnc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001119409958 989049790 /nfs/dbraw/zinc/04/97/90/989049790.db2.gz SMRARHORGYOFOK-NXEZZACHSA-N 1 2 225.292 1.114 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cc(C)ccn2)no1 ZINC001247960823 989050437 /nfs/dbraw/zinc/05/04/37/989050437.db2.gz DFLLYHRCZGDGPM-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO CCc1ccc(N2CC(C)(OC)C2)[nH+]c1 ZINC001515594031 989074469 /nfs/dbraw/zinc/07/44/69/989074469.db2.gz DECWBUUNFJIFKU-UHFFFAOYSA-N 1 2 206.289 1.869 20 0 BDADLO Nc1cc(N2CCC[C@@H]2C2CCOCC2)[nH+]cn1 ZINC001515606032 989075142 /nfs/dbraw/zinc/07/51/42/989075142.db2.gz NUUMZZXRKFUIFO-LLVKDONJSA-N 1 2 248.330 1.454 20 0 BDADLO CCc1ccc(N2CC(O)(C3CC3)C2)[nH+]c1 ZINC001515659124 989093439 /nfs/dbraw/zinc/09/34/39/989093439.db2.gz MZSFBNRZPOODQF-UHFFFAOYSA-N 1 2 218.300 1.605 20 0 BDADLO CCc1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]c1 ZINC001515769045 989112130 /nfs/dbraw/zinc/11/21/30/989112130.db2.gz RCNMOZBGNBSDJN-GDNZZTSVSA-N 1 2 218.300 1.319 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOC[C@H]2C2CC2)c1C ZINC001119507606 989117096 /nfs/dbraw/zinc/11/70/96/989117096.db2.gz NHIBNXULNZLCRL-ZDUSSCGKSA-N 1 2 235.331 1.637 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOC[C@H]2C2CC2)c1C ZINC001119507606 989117106 /nfs/dbraw/zinc/11/71/06/989117106.db2.gz NHIBNXULNZLCRL-ZDUSSCGKSA-N 1 2 235.331 1.637 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)[C@@](C)(CO)C2)[nH+]1 ZINC001515907087 989126824 /nfs/dbraw/zinc/12/68/24/989126824.db2.gz DSHUEELVZQQNBP-TVQRCGJNSA-N 1 2 238.306 1.984 20 0 BDADLO COC(=O)C1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001516143855 989140085 /nfs/dbraw/zinc/14/00/85/989140085.db2.gz UBDHNXOZLYRBOQ-UHFFFAOYSA-N 1 2 247.298 1.272 20 0 BDADLO c1nc(N[C@@H]2C[C@@H]3CC[C@H]2O3)cc(NC2CC2)[nH+]1 ZINC001516803826 989174607 /nfs/dbraw/zinc/17/46/07/989174607.db2.gz RQFOQIFEZRYJGN-HBNTYKKESA-N 1 2 246.314 1.783 20 0 BDADLO c1nc(NC2CC2)cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)[nH+]1 ZINC001516803826 989174619 /nfs/dbraw/zinc/17/46/19/989174619.db2.gz RQFOQIFEZRYJGN-HBNTYKKESA-N 1 2 246.314 1.783 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc3n2CCC3)CCO1 ZINC001248821159 989176044 /nfs/dbraw/zinc/17/60/44/989176044.db2.gz QFPYIEBAPQOKSA-LLVKDONJSA-N 1 2 220.316 1.655 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc3n2CCC3)CCO1 ZINC001248821159 989176049 /nfs/dbraw/zinc/17/60/49/989176049.db2.gz QFPYIEBAPQOKSA-LLVKDONJSA-N 1 2 220.316 1.655 20 0 BDADLO Cc1nc(C[NH+]2CC(CO)C2)ccc1Cl ZINC001248877716 989208083 /nfs/dbraw/zinc/20/80/83/989208083.db2.gz LYWQPEBJNLPPGF-UHFFFAOYSA-N 1 2 226.707 1.468 20 0 BDADLO Cc1[nH+]cc(C[N@H+](CC(=O)[O-])C2CCC2)n1C ZINC001119601747 989215687 /nfs/dbraw/zinc/21/56/87/989215687.db2.gz FAKDYTBJJHNSLZ-UHFFFAOYSA-N 1 2 237.303 1.168 20 0 BDADLO Cc1[nH+]cc(C[N@@H+](CC(=O)[O-])C2CCC2)n1C ZINC001119601747 989215699 /nfs/dbraw/zinc/21/56/99/989215699.db2.gz FAKDYTBJJHNSLZ-UHFFFAOYSA-N 1 2 237.303 1.168 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248932257 989219746 /nfs/dbraw/zinc/21/97/46/989219746.db2.gz FTYUNVBNIOGBGS-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nc(C)cc(C)n2)C1 ZINC001248932257 989219753 /nfs/dbraw/zinc/21/97/53/989219753.db2.gz FTYUNVBNIOGBGS-LBPRGKRZSA-N 1 2 235.331 1.704 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cccnn1 ZINC001518046980 989271122 /nfs/dbraw/zinc/27/11/22/989271122.db2.gz BHTBAHWCRKOMLU-UHFFFAOYSA-N 1 2 232.243 1.050 20 0 BDADLO O=C(CCF)OCC1CN(c2cccc[nH+]2)C1 ZINC001518477165 989312099 /nfs/dbraw/zinc/31/20/99/989312099.db2.gz RNEGUFKHNBHDLV-UHFFFAOYSA-N 1 2 238.262 1.421 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)s1 ZINC001119685382 989322131 /nfs/dbraw/zinc/32/21/31/989322131.db2.gz OGMAFCIIIVCLSX-UWVGGRQHSA-N 1 2 239.344 1.539 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)s1 ZINC001119685382 989322142 /nfs/dbraw/zinc/32/21/42/989322142.db2.gz OGMAFCIIIVCLSX-UWVGGRQHSA-N 1 2 239.344 1.539 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(CF)CCC1 ZINC001326051399 989347576 /nfs/dbraw/zinc/34/75/76/989347576.db2.gz RTCATTRFZMILNB-UHFFFAOYSA-N 1 2 226.251 1.566 20 0 BDADLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1nncs1 ZINC001119756739 989387417 /nfs/dbraw/zinc/38/74/17/989387417.db2.gz WPBKKPIDXSPKSL-YUMQZZPRSA-N 1 2 227.333 1.272 20 0 BDADLO C[C@@H]1CCSCC[N@@H+]1Cc1nncs1 ZINC001119766182 989394175 /nfs/dbraw/zinc/39/41/75/989394175.db2.gz QXVSJDBFGJTSEJ-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@@H]1CCSCC[N@H+]1Cc1nncs1 ZINC001119766182 989394188 /nfs/dbraw/zinc/39/41/88/989394188.db2.gz QXVSJDBFGJTSEJ-MRVPVSSYSA-N 1 2 229.374 1.866 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC[C@@H](F)C1 ZINC001326184852 989414553 /nfs/dbraw/zinc/41/45/53/989414553.db2.gz TZUCNDJQTZYGSZ-WDEREUQCSA-N 1 2 240.278 1.955 20 0 BDADLO COC/C(C)=C\C[NH2+][C@H](C)c1ncn(C)n1 ZINC001119841108 989435845 /nfs/dbraw/zinc/43/58/45/989435845.db2.gz RWRQIAHJVTWFGL-HYHWUIIZSA-N 1 2 224.308 1.058 20 0 BDADLO C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC001599880250 989474583 /nfs/dbraw/zinc/47/45/83/989474583.db2.gz DTJPSKVKAJFPDH-JOYOIKCWSA-N 1 2 234.299 1.225 20 0 BDADLO CC[N@H+](CCSC)CC(=O)OC(C)C ZINC001326340417 989502187 /nfs/dbraw/zinc/50/21/87/989502187.db2.gz JSSFEIIXNJTAIU-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO CC[N@@H+](CCSC)CC(=O)OC(C)C ZINC001326340417 989502204 /nfs/dbraw/zinc/50/22/04/989502204.db2.gz JSSFEIIXNJTAIU-UHFFFAOYSA-N 1 2 219.350 1.623 20 0 BDADLO CCc1cc(N[C@@H](C)CC(N)=O)nc(CC)[nH+]1 ZINC001119968860 989523620 /nfs/dbraw/zinc/52/36/20/989523620.db2.gz LHNWHAKBSMFINV-QMMMGPOBSA-N 1 2 236.319 1.277 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@]1(C)CCCO1 ZINC001520440332 989561706 /nfs/dbraw/zinc/56/17/06/989561706.db2.gz FBWAEMNMVRNYKV-GFCCVEGCSA-N 1 2 238.287 1.515 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)c1ncon1)n1cc[nH+]c1 ZINC001326514228 989590452 /nfs/dbraw/zinc/59/04/52/989590452.db2.gz CRHCWCYQMZBPLZ-RKDXNWHRSA-N 1 2 249.274 1.095 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC(C1CC1)C1CC1 ZINC001520760826 989600854 /nfs/dbraw/zinc/60/08/54/989600854.db2.gz IPXNCODLDWKMRN-UHFFFAOYSA-N 1 2 247.342 1.658 20 0 BDADLO C[C@H](C(=O)N1CCC[C@H](F)C1)n1cc[nH+]c1 ZINC001326627403 989632793 /nfs/dbraw/zinc/63/27/93/989632793.db2.gz POHLVEMVZLITDF-ZJUUUORDSA-N 1 2 225.267 1.405 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC001326795880 989716198 /nfs/dbraw/zinc/71/61/98/989716198.db2.gz NDBDVJFWJUZYNM-NXEZZACHSA-N 1 2 246.318 1.325 20 0 BDADLO CCO[C@H](Cc1nnc(C[NH+](C)C)o1)C(C)C ZINC001326988105 989800996 /nfs/dbraw/zinc/80/09/96/989800996.db2.gz XOOWVNGDGBYRPA-SNVBAGLBSA-N 1 2 241.335 1.735 20 0 BDADLO C[C@@H]1CCC(F)(F)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001120742082 989861982 /nfs/dbraw/zinc/86/19/82/989861982.db2.gz MZWSDNQMLMWVIP-MRVPVSSYSA-N 1 2 243.257 1.598 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC[C@]12CCOC2 ZINC001522661982 989868089 /nfs/dbraw/zinc/86/80/89/989868089.db2.gz MEWUAHKUTCOWRW-CYBMUJFWSA-N 1 2 249.314 1.055 20 0 BDADLO Cc1nn(C)c(C)c1Nc1cc[nH+]c(N)n1 ZINC001120793119 989885047 /nfs/dbraw/zinc/88/50/47/989885047.db2.gz KUZJYIRZPXXUDV-UHFFFAOYSA-N 1 2 218.264 1.153 20 0 BDADLO CCc1nocc1CN(C)c1cc(N)nc[nH+]1 ZINC001120850725 989921318 /nfs/dbraw/zinc/92/13/18/989921318.db2.gz CSVNNVQARYMZBO-UHFFFAOYSA-N 1 2 233.275 1.246 20 0 BDADLO COCCOCCN(C)c1cc(F)cc(C)[nH+]1 ZINC001120849856 989921346 /nfs/dbraw/zinc/92/13/46/989921346.db2.gz YGNOWFADHHTSML-UHFFFAOYSA-N 1 2 242.294 1.628 20 0 BDADLO Cc1cc(F)cc(N2C[C@H](C)C[C@H](O)C2)[nH+]1 ZINC001120857242 989927061 /nfs/dbraw/zinc/92/70/61/989927061.db2.gz VZJNRQCWNMUXPK-KCJUWKMLSA-N 1 2 224.279 1.736 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCc2ccco2)c1 ZINC001524815855 990014463 /nfs/dbraw/zinc/01/44/63/990014463.db2.gz BIBPZNYPWIQYHK-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO C[C@@H]1[C@@H](C(=O)OCCn2cc[nH+]c2)C1(F)F ZINC001525468045 990052288 /nfs/dbraw/zinc/05/22/88/990052288.db2.gz DEPZWDWVGVSFOO-SFYZADRCSA-N 1 2 230.214 1.328 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@@H]1F ZINC001527706517 990240347 /nfs/dbraw/zinc/24/03/47/990240347.db2.gz IYEQKOINCIFUHW-UWVGGRQHSA-N 1 2 225.267 1.138 20 0 BDADLO CC1(F)CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001122186728 990282388 /nfs/dbraw/zinc/28/23/88/990282388.db2.gz WKBVZAYXSLFCKC-ZETCQYMHSA-N 1 2 238.253 1.320 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(F)nc1 ZINC001534711520 990455405 /nfs/dbraw/zinc/45/54/05/990455405.db2.gz ABDUZNPHQXEJLA-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO Cc1cc(CNC(=O)c2cncnc2)cc(C)[nH+]1 ZINC001536665068 990489574 /nfs/dbraw/zinc/48/95/74/990489574.db2.gz CEZBXBZHYPAUBL-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO CC(=O)CCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123051105 990491883 /nfs/dbraw/zinc/49/18/83/990491883.db2.gz UEXUBJPELHIJHB-UHFFFAOYSA-N 1 2 238.287 1.531 20 0 BDADLO O=C(NC1=NCCS1)c1cc2c[nH+]ccc2[nH]1 ZINC001540719208 990643148 /nfs/dbraw/zinc/64/31/48/990643148.db2.gz ZJSMZOFBNUETHR-UHFFFAOYSA-N 1 2 246.295 1.396 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H]1F ZINC001123759776 990661956 /nfs/dbraw/zinc/66/19/56/990661956.db2.gz GNVPZCLWZJJKKT-VHSXEESVSA-N 1 2 225.267 1.090 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C2CC2)C1 ZINC001123776010 990666790 /nfs/dbraw/zinc/66/67/90/990666790.db2.gz MEPWGVKXPGLAFE-GFCCVEGCSA-N 1 2 247.342 1.611 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C ZINC001542729703 990670525 /nfs/dbraw/zinc/67/05/25/990670525.db2.gz OJCRIURRJFFZCT-UHFFFAOYSA-N 1 2 223.320 1.765 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC(C2CC2)C1 ZINC001123884760 990692391 /nfs/dbraw/zinc/69/23/91/990692391.db2.gz YHTBJXOWHAYEBA-UHFFFAOYSA-N 1 2 233.315 1.221 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)c1ccco1 ZINC001123920696 990703917 /nfs/dbraw/zinc/70/39/17/990703917.db2.gz ASQIJYXONJHDSE-SNVBAGLBSA-N 1 2 247.298 1.476 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2[nH+]ccn2C)CC1 ZINC001123925521 990705296 /nfs/dbraw/zinc/70/52/96/990705296.db2.gz OPZARFYYZDBCDG-HAQNSBGRSA-N 1 2 249.358 1.905 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1COC ZINC001544261257 990717510 /nfs/dbraw/zinc/71/75/10/990717510.db2.gz PKULCLVIJNCQPX-ZDUSSCGKSA-N 1 2 248.326 1.866 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccccc1COC ZINC001544261257 990717517 /nfs/dbraw/zinc/71/75/17/990717517.db2.gz PKULCLVIJNCQPX-ZDUSSCGKSA-N 1 2 248.326 1.866 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001123990562 990724315 /nfs/dbraw/zinc/72/43/15/990724315.db2.gz NTDGUTONBZCCHT-ZWNOBZJWSA-N 1 2 247.342 1.847 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1CC12CCC2 ZINC001124011128 990731946 /nfs/dbraw/zinc/73/19/46/990731946.db2.gz MGXMQGJLALFVCS-SNVBAGLBSA-N 1 2 233.315 1.269 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001124020085 990735119 /nfs/dbraw/zinc/73/51/19/990735119.db2.gz NQOCXZUKYJUFAL-SDDRHHMPSA-N 1 2 247.342 1.515 20 0 BDADLO O=C(NCCC(F)F)[C@@H]1CCc2c[nH+]cn2C1 ZINC001124028685 990738335 /nfs/dbraw/zinc/73/83/35/990738335.db2.gz HYGZKDQOJSALJI-MRVPVSSYSA-N 1 2 243.257 1.217 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC12CCCC2 ZINC001548694179 990775955 /nfs/dbraw/zinc/77/59/55/990775955.db2.gz QSCGSLOFBHFKQL-LLVKDONJSA-N 1 2 247.342 1.802 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001556663730 990842547 /nfs/dbraw/zinc/84/25/47/990842547.db2.gz SRHFYRISOQUAHH-JTQLQIEISA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001556663730 990842550 /nfs/dbraw/zinc/84/25/50/990842550.db2.gz SRHFYRISOQUAHH-JTQLQIEISA-N 1 2 237.303 1.026 20 0 BDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H](F)C1 ZINC001556683839 990844177 /nfs/dbraw/zinc/84/41/77/990844177.db2.gz RFKVUXQCXPUKIC-UWVGGRQHSA-N 1 2 237.278 1.016 20 0 BDADLO CC[N@H+](Cc1ccc(F)nc1)C1COC1 ZINC001137741689 990847602 /nfs/dbraw/zinc/84/76/02/990847602.db2.gz PHIUSMBOGNYNLE-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO CC[N@@H+](Cc1ccc(F)nc1)C1COC1 ZINC001137741689 990847603 /nfs/dbraw/zinc/84/76/03/990847603.db2.gz PHIUSMBOGNYNLE-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO C=C/C=C/CC(=O)NCCc1cn(C)c[nH+]1 ZINC001556945450 990865372 /nfs/dbraw/zinc/86/53/72/990865372.db2.gz FHQYAINNMWQCKO-SNAWJCMRSA-N 1 2 219.288 1.211 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(CO)cc1 ZINC001557224007 990880280 /nfs/dbraw/zinc/88/02/80/990880280.db2.gz GNHFZXDKZOXFBD-UHFFFAOYSA-N 1 2 245.282 1.392 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnc2ccccn12 ZINC001557397073 990888584 /nfs/dbraw/zinc/88/85/84/990888584.db2.gz XSKVIKNLDCQHBM-JTQLQIEISA-N 1 2 244.298 1.367 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnc2ccccn12 ZINC001557397073 990888589 /nfs/dbraw/zinc/88/85/89/990888589.db2.gz XSKVIKNLDCQHBM-JTQLQIEISA-N 1 2 244.298 1.367 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnc(N)nc1 ZINC001138166271 990894782 /nfs/dbraw/zinc/89/47/82/990894782.db2.gz KZBAKQAXXBNFNP-SNVBAGLBSA-N 1 2 243.314 1.437 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnc(N)nc1 ZINC001138166271 990894783 /nfs/dbraw/zinc/89/47/83/990894783.db2.gz KZBAKQAXXBNFNP-SNVBAGLBSA-N 1 2 243.314 1.437 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(O)cc(O)c2)CCCC1=O ZINC001138324518 990918915 /nfs/dbraw/zinc/91/89/15/990918915.db2.gz QUECETNOUJXBKH-JTQLQIEISA-N 1 2 249.310 1.899 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(O)cc(O)c2)CCCC1=O ZINC001138324518 990918921 /nfs/dbraw/zinc/91/89/21/990918921.db2.gz QUECETNOUJXBKH-JTQLQIEISA-N 1 2 249.310 1.899 20 0 BDADLO CCOc1ccc(C[NH+]2CC(O)C2)c(C)c1 ZINC001138430952 990947356 /nfs/dbraw/zinc/94/73/56/990947356.db2.gz OALJSXIPQVNMCY-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CC=CCC2)c[nH+]1 ZINC001558497265 990949982 /nfs/dbraw/zinc/94/99/82/990949982.db2.gz IDBQGRHJCGLFOH-JTQLQIEISA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CC=CCC2)[nH+]1 ZINC001558497265 990949985 /nfs/dbraw/zinc/94/99/85/990949985.db2.gz IDBQGRHJCGLFOH-JTQLQIEISA-N 1 2 233.315 1.945 20 0 BDADLO COC1C[NH+](Cc2ccc(N(C)C)s2)C1 ZINC001138489162 990958983 /nfs/dbraw/zinc/95/89/83/990958983.db2.gz DNACJYQIVSSDSR-UHFFFAOYSA-N 1 2 226.345 1.645 20 0 BDADLO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC001308472346 991003564 /nfs/dbraw/zinc/00/35/64/991003564.db2.gz ZVUVVXCHVHQDGI-MNOVXSKESA-N 1 2 243.738 1.731 20 0 BDADLO CCOC1C[NH+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138736746 991024139 /nfs/dbraw/zinc/02/41/39/991024139.db2.gz CCFMPZKYIIUZME-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258151686 991034551 /nfs/dbraw/zinc/03/45/51/991034551.db2.gz KZZMWMIXHRRPQI-QCNOEVLYSA-N 1 2 243.347 1.325 20 0 BDADLO OCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001138803150 991058521 /nfs/dbraw/zinc/05/85/21/991058521.db2.gz NNGTYZJPDXWBPN-UONOGXRCSA-N 1 2 249.310 1.031 20 0 BDADLO OCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC001138803150 991058528 /nfs/dbraw/zinc/05/85/28/991058528.db2.gz NNGTYZJPDXWBPN-UONOGXRCSA-N 1 2 249.310 1.031 20 0 BDADLO CCc1[nH]c(CNc2nc(C)cnc2C)c[nH+]1 ZINC001559290131 991065479 /nfs/dbraw/zinc/06/54/79/991065479.db2.gz DMNPRVCKUDOCKP-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO CCc1[nH]cc(CNc2nc(C)cnc2C)[nH+]1 ZINC001559290131 991065490 /nfs/dbraw/zinc/06/54/90/991065490.db2.gz DMNPRVCKUDOCKP-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)CC[C@@H]1F ZINC001138818697 991069949 /nfs/dbraw/zinc/06/99/49/991069949.db2.gz VZLVQQDASMVDMU-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@@H]1F ZINC001138818697 991069957 /nfs/dbraw/zinc/06/99/57/991069957.db2.gz VZLVQQDASMVDMU-VHSXEESVSA-N 1 2 244.697 1.640 20 0 BDADLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)nn1C ZINC001138827892 991078303 /nfs/dbraw/zinc/07/83/03/991078303.db2.gz KGNNZCXQUCRTPJ-TXEJJXNPSA-N 1 2 233.315 1.424 20 0 BDADLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)nn1C ZINC001138827892 991078313 /nfs/dbraw/zinc/07/83/13/991078313.db2.gz KGNNZCXQUCRTPJ-TXEJJXNPSA-N 1 2 233.315 1.424 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CCOCC3)nn1C ZINC001138827807 991080824 /nfs/dbraw/zinc/08/08/24/991080824.db2.gz FZNUKARKPRGMAQ-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO CC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccco2)CCO1 ZINC001258198509 991116397 /nfs/dbraw/zinc/11/63/97/991116397.db2.gz ZVVACCRAIOCPBG-GXFFZTMASA-N 1 2 237.299 1.500 20 0 BDADLO CC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccco2)CCO1 ZINC001258198509 991116403 /nfs/dbraw/zinc/11/64/03/991116403.db2.gz ZVVACCRAIOCPBG-GXFFZTMASA-N 1 2 237.299 1.500 20 0 BDADLO CCCn1cc(C[N@@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001139043147 991131755 /nfs/dbraw/zinc/13/17/55/991131755.db2.gz OKAGAEJUMRXOSP-ZDUSSCGKSA-N 1 2 235.331 1.847 20 0 BDADLO CCCn1cc(C[N@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001139043147 991131760 /nfs/dbraw/zinc/13/17/60/991131760.db2.gz OKAGAEJUMRXOSP-ZDUSSCGKSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(CO)cs2)[C@H]1C ZINC001308790217 991134533 /nfs/dbraw/zinc/13/45/33/991134533.db2.gz PNTOKVCCLRUAPM-YUMQZZPRSA-N 1 2 212.318 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(CO)cs2)[C@H]1C ZINC001308790217 991134540 /nfs/dbraw/zinc/13/45/40/991134540.db2.gz PNTOKVCCLRUAPM-YUMQZZPRSA-N 1 2 212.318 1.476 20 0 BDADLO CS(=O)(=O)C1C[NH+](C2CCCCCCC2)C1 ZINC001258240712 991190178 /nfs/dbraw/zinc/19/01/78/991190178.db2.gz SMUWNZCXANXAGU-UHFFFAOYSA-N 1 2 245.388 1.828 20 0 BDADLO CCOc1ccc(NC(=O)NC2C[NH+](C)C2)cc1 ZINC001202910804 991196474 /nfs/dbraw/zinc/19/64/74/991196474.db2.gz VSQJTJJOBGXIDP-UHFFFAOYSA-N 1 2 249.314 1.521 20 0 BDADLO Nc1ncc(C[N@@H+]2CCc3cnccc3C2)s1 ZINC001139224776 991200685 /nfs/dbraw/zinc/20/06/85/991200685.db2.gz KBZRRZOCQYJKEI-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ncc(C[N@H+]2CCc3cnccc3C2)s1 ZINC001139224776 991200695 /nfs/dbraw/zinc/20/06/95/991200695.db2.gz KBZRRZOCQYJKEI-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Cn1ncc2c1CC[N@H+](Cc1cnc(N)s1)C2 ZINC001139229467 991211763 /nfs/dbraw/zinc/21/17/63/991211763.db2.gz YQTFKNLGFCUIEZ-UHFFFAOYSA-N 1 2 249.343 1.017 20 0 BDADLO Cn1ncc2c1CC[N@@H+](Cc1cnc(N)s1)C2 ZINC001139229467 991211772 /nfs/dbraw/zinc/21/17/72/991211772.db2.gz YQTFKNLGFCUIEZ-UHFFFAOYSA-N 1 2 249.343 1.017 20 0 BDADLO O=C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360055 991227837 /nfs/dbraw/zinc/22/78/37/991227837.db2.gz GZKSODOXXDEDQG-UHFFFAOYSA-N 1 2 241.294 1.647 20 0 BDADLO Clc1cccc(C[NH+]2CC3(C2)CCOC3)n1 ZINC001139545712 991263571 /nfs/dbraw/zinc/26/35/71/991263571.db2.gz JDMYAXGFIFKHOL-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO CCc1[nH]c(CNC(=O)O[C@H](C)COC)c[nH+]1 ZINC001309919409 991287551 /nfs/dbraw/zinc/28/75/51/991287551.db2.gz CYFLAFIKYMCTSB-MRVPVSSYSA-N 1 2 241.291 1.233 20 0 BDADLO CCc1[nH]cc(CNC(=O)O[C@H](C)COC)[nH+]1 ZINC001309919409 991287563 /nfs/dbraw/zinc/28/75/63/991287563.db2.gz CYFLAFIKYMCTSB-MRVPVSSYSA-N 1 2 241.291 1.233 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC001559900050 991312083 /nfs/dbraw/zinc/31/20/83/991312083.db2.gz WQHNIKZIYOLGON-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC001559903035 991318695 /nfs/dbraw/zinc/31/86/95/991318695.db2.gz ORGKILBYOHTWPE-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC001559903035 991318707 /nfs/dbraw/zinc/31/87/07/991318707.db2.gz ORGKILBYOHTWPE-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO COCc1nnc2n1CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC001559974582 991348657 /nfs/dbraw/zinc/34/86/57/991348657.db2.gz ZVDFFLYOQBJQIM-LLVKDONJSA-N 1 2 248.330 1.349 20 0 BDADLO COCc1nnc2n1CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC001559974582 991348666 /nfs/dbraw/zinc/34/86/66/991348666.db2.gz ZVDFFLYOQBJQIM-LLVKDONJSA-N 1 2 248.330 1.349 20 0 BDADLO CCCCC[C@@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001258431093 991364400 /nfs/dbraw/zinc/36/44/00/991364400.db2.gz XDCLZXVRTWFCAH-NEPJUHHUSA-N 1 2 245.363 1.859 20 0 BDADLO CCCCC[C@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001258431094 991364644 /nfs/dbraw/zinc/36/46/44/991364644.db2.gz XDCLZXVRTWFCAH-RYUDHWBXSA-N 1 2 245.363 1.859 20 0 BDADLO Cc1cnc(C[N@H+]2CCc3nccn3CC2)s1 ZINC001139814135 991376126 /nfs/dbraw/zinc/37/61/26/991376126.db2.gz YIEHNYXNSICYTN-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO Cc1cnc(C[N@@H+]2CCc3nccn3CC2)s1 ZINC001139814135 991376135 /nfs/dbraw/zinc/37/61/35/991376135.db2.gz YIEHNYXNSICYTN-UHFFFAOYSA-N 1 2 248.355 1.706 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)nc1 ZINC001139839719 991401577 /nfs/dbraw/zinc/40/15/77/991401577.db2.gz PXNKROROGLYTSS-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)nc1 ZINC001139839719 991401583 /nfs/dbraw/zinc/40/15/83/991401583.db2.gz PXNKROROGLYTSS-QWHCGFSZSA-N 1 2 238.306 1.685 20 0 BDADLO Cc1ccc(C[NH+]2CCN(CCF)CC2)cn1 ZINC001139932617 991422748 /nfs/dbraw/zinc/42/27/48/991422748.db2.gz FVBWWUCQPVKTEB-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO Cc1noc(C[N@H+]2C[C@@H](C)OCC[C@H]2C)n1 ZINC001560233071 991431453 /nfs/dbraw/zinc/43/14/53/991431453.db2.gz QJOBBNMYMRPDOC-RKDXNWHRSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@@H+]2C[C@@H](C)OCC[C@H]2C)n1 ZINC001560233071 991431459 /nfs/dbraw/zinc/43/14/59/991431459.db2.gz QJOBBNMYMRPDOC-RKDXNWHRSA-N 1 2 225.292 1.377 20 0 BDADLO c1cnnc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001139970918 991438118 /nfs/dbraw/zinc/43/81/18/991438118.db2.gz NAHZVRIWCQXXMM-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO c1cnnc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001139970918 991438124 /nfs/dbraw/zinc/43/81/24/991438124.db2.gz NAHZVRIWCQXXMM-ZDUSSCGKSA-N 1 2 241.298 1.604 20 0 BDADLO CCn1nncc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC001560343200 991458224 /nfs/dbraw/zinc/45/82/24/991458224.db2.gz WKXSEDHDYBMKFA-UHFFFAOYSA-N 1 2 248.334 1.365 20 0 BDADLO CC(C)(F)C(=O)NC[C@H]1CCCC[N@@H+]1CCF ZINC001317164426 991458606 /nfs/dbraw/zinc/45/86/06/991458606.db2.gz DISGKFDFOCXGES-SNVBAGLBSA-N 1 2 248.317 1.675 20 0 BDADLO CC(C)(F)C(=O)NC[C@H]1CCCC[N@H+]1CCF ZINC001317164426 991458611 /nfs/dbraw/zinc/45/86/11/991458611.db2.gz DISGKFDFOCXGES-SNVBAGLBSA-N 1 2 248.317 1.675 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139992328 991465756 /nfs/dbraw/zinc/46/57/56/991465756.db2.gz FLTIZBBXTWRURB-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cnc(Cl)nc1 ZINC001139992328 991465761 /nfs/dbraw/zinc/46/57/61/991465761.db2.gz FLTIZBBXTWRURB-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO CO[C@@H](C)C1C[NH+](Cc2cnc(Cl)nc2)C1 ZINC001139993660 991474213 /nfs/dbraw/zinc/47/42/13/991474213.db2.gz UTEZRMKURWEUTO-QMMMGPOBSA-N 1 2 241.722 1.597 20 0 BDADLO Nc1nccnc1C[NH+]1CC(c2cccnc2)C1 ZINC001140012139 991483391 /nfs/dbraw/zinc/48/33/91/991483391.db2.gz NGHXKMUAKVOPNE-UHFFFAOYSA-N 1 2 241.298 1.053 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001560487116 991485838 /nfs/dbraw/zinc/48/58/38/991485838.db2.gz DQMDYVRZPGDLJE-ZETCQYMHSA-N 1 2 235.280 1.131 20 0 BDADLO CCCn1cncc1C[NH2+]Cc1cn(C)cn1 ZINC001560616241 991518996 /nfs/dbraw/zinc/51/89/96/991518996.db2.gz VDSOHRXUFVYRIA-UHFFFAOYSA-N 1 2 233.319 1.316 20 0 BDADLO COC(=O)C1([NH2+][C@H](C)Cc2cccnc2)CCC1 ZINC001258610212 991529782 /nfs/dbraw/zinc/52/97/82/991529782.db2.gz HRWKXPJXWSCPPL-LLVKDONJSA-N 1 2 248.326 1.698 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc2n(n1)CCCC2 ZINC001140187529 991554271 /nfs/dbraw/zinc/55/42/71/991554271.db2.gz SHULOKKDYPNDCR-LLVKDONJSA-N 1 2 248.330 1.252 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc2n(n1)CCCC2 ZINC001140187529 991554284 /nfs/dbraw/zinc/55/42/84/991554284.db2.gz SHULOKKDYPNDCR-LLVKDONJSA-N 1 2 248.330 1.252 20 0 BDADLO Cc1cc(C[NH+]2CCN(C#N)CC2)c(C)cc1O ZINC001140203770 991562537 /nfs/dbraw/zinc/56/25/37/991562537.db2.gz WSZJKTBCMYYXOU-UHFFFAOYSA-N 1 2 245.326 1.608 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140230930 991567842 /nfs/dbraw/zinc/56/78/42/991567842.db2.gz ARAZOHSNSGZXIW-UHFFFAOYSA-N 1 2 232.283 1.440 20 0 BDADLO Oc1cnccc1C[N@@H+]1CCOCC12CC2 ZINC001140280996 991602338 /nfs/dbraw/zinc/60/23/38/991602338.db2.gz SBUOAMXEOGIYGO-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Oc1cnccc1C[N@H+]1CCOCC12CC2 ZINC001140280996 991602344 /nfs/dbraw/zinc/60/23/44/991602344.db2.gz SBUOAMXEOGIYGO-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Cc1cccc(CNC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001317998823 991609700 /nfs/dbraw/zinc/60/97/00/991609700.db2.gz OUGUGIZZOZDDNR-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)C(C)(C)CC)C1 ZINC001318059253 991617243 /nfs/dbraw/zinc/61/72/43/991617243.db2.gz IANFQHCVTIHTBH-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258686270 991619752 /nfs/dbraw/zinc/61/97/52/991619752.db2.gz ASSHILMDIUIPSO-GMTAPVOTSA-N 1 2 243.347 1.325 20 0 BDADLO C[C@H](C(=O)N(C)CCC(F)(F)F)n1cc[nH+]c1 ZINC001318097661 991623660 /nfs/dbraw/zinc/62/36/60/991623660.db2.gz ZELUAOUGFBSKOZ-MRVPVSSYSA-N 1 2 249.236 1.855 20 0 BDADLO C[C@H](C(=O)NC1CCSCC1)n1cc[nH+]c1 ZINC001318102481 991623721 /nfs/dbraw/zinc/62/37/21/991623721.db2.gz VNGCDRZALJFJGD-SECBINFHSA-N 1 2 239.344 1.456 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)C1(F)CCCC1 ZINC001318129217 991626306 /nfs/dbraw/zinc/62/63/06/991626306.db2.gz LAACWCZHZRUQFW-UHFFFAOYSA-N 1 2 246.301 1.286 20 0 BDADLO CSC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318618214 991688357 /nfs/dbraw/zinc/68/83/57/991688357.db2.gz SAVZZPGIQAIPSU-DTWKUNHWSA-N 1 2 227.333 1.312 20 0 BDADLO COC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(C)C ZINC001318689255 991698577 /nfs/dbraw/zinc/69/85/77/991698577.db2.gz PUADFQFIDQVPKI-QWRGUYRKSA-N 1 2 239.319 1.231 20 0 BDADLO C[C@@H](C(=O)N1CCCC1(C)C)n1cc[nH+]c1 ZINC001318831325 991719544 /nfs/dbraw/zinc/71/95/44/991719544.db2.gz WUMMOMGZOSQTGR-JTQLQIEISA-N 1 2 221.304 1.845 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N ZINC001563977889 991754913 /nfs/dbraw/zinc/75/49/13/991754913.db2.gz LUIPBATYXULMFO-ONGXEEELSA-N 1 2 248.330 1.652 20 0 BDADLO C[C@@H](F)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001564815910 991774602 /nfs/dbraw/zinc/77/46/02/991774602.db2.gz MXKMGOPLQOTKTK-SECBINFHSA-N 1 2 240.282 1.156 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001319116566 991788525 /nfs/dbraw/zinc/78/85/25/991788525.db2.gz KMKYYDSCGPTTMM-WDEREUQCSA-N 1 2 221.304 1.703 20 0 BDADLO C[N@H+](CCOC(C)(C)C)CN1C(=O)CC1(C)C ZINC001319226314 991819179 /nfs/dbraw/zinc/81/91/79/991819179.db2.gz GMHBJYZOZNCVEE-UHFFFAOYSA-N 1 2 242.363 1.702 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)CC1(C)C ZINC001319226314 991819183 /nfs/dbraw/zinc/81/91/83/991819183.db2.gz GMHBJYZOZNCVEE-UHFFFAOYSA-N 1 2 242.363 1.702 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C=CCCC1)n1cc[nH+]c1 ZINC001319254866 991825886 /nfs/dbraw/zinc/82/58/86/991825886.db2.gz CFRXBYJDWPULEP-WDEREUQCSA-N 1 2 219.288 1.669 20 0 BDADLO CC1(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC001319348478 991844812 /nfs/dbraw/zinc/84/48/12/991844812.db2.gz SWPCBYPTKJYSIV-UHFFFAOYSA-N 1 2 244.298 1.686 20 0 BDADLO O=C(c1cnco1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001319531720 991886615 /nfs/dbraw/zinc/88/66/15/991886615.db2.gz QZOVZGILVTVTQT-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO CC[NH+]1CC(NC(=O)COc2ccc(C)cc2)C1 ZINC001567815915 992096644 /nfs/dbraw/zinc/09/66/44/992096644.db2.gz IPAQSPQDXVJWRR-UHFFFAOYSA-N 1 2 248.326 1.194 20 0 BDADLO CCC1(C(=O)NC2C[NH+](CCCF)C2)CC1 ZINC001567805672 992100116 /nfs/dbraw/zinc/10/01/16/992100116.db2.gz HWFJUUCRRAIOMK-UHFFFAOYSA-N 1 2 228.311 1.337 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccsn1 ZINC001567821352 992102482 /nfs/dbraw/zinc/10/24/82/992102482.db2.gz LOIWJBQSRJSWFJ-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO CC[C@H](C)S(=O)(=O)Nc1cc[nH+]cc1 ZINC001260721899 992131684 /nfs/dbraw/zinc/13/16/84/992131684.db2.gz LFUDNLIXJJRJRY-QMMMGPOBSA-N 1 2 214.290 1.044 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC001260738495 992154629 /nfs/dbraw/zinc/15/46/29/992154629.db2.gz CBPPEXDSSCJDHR-GHMZBOCLSA-N 1 2 248.392 1.141 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001260738495 992154634 /nfs/dbraw/zinc/15/46/34/992154634.db2.gz CBPPEXDSSCJDHR-GHMZBOCLSA-N 1 2 248.392 1.141 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001261213420 992196353 /nfs/dbraw/zinc/19/63/53/992196353.db2.gz JYSWLANNHYPBFK-MNOVXSKESA-N 1 2 239.319 1.328 20 0 BDADLO CC(C)c1coc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001569319034 992358568 /nfs/dbraw/zinc/35/85/68/992358568.db2.gz IECKBFNGEJVKIR-JTQLQIEISA-N 1 2 237.303 1.831 20 0 BDADLO CC(C)c1coc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001569319034 992358577 /nfs/dbraw/zinc/35/85/77/992358577.db2.gz IECKBFNGEJVKIR-JTQLQIEISA-N 1 2 237.303 1.831 20 0 BDADLO Cc1nc(CO[NH+]=C(N)CCO)c(C)s1 ZINC001320797274 992360546 /nfs/dbraw/zinc/36/05/46/992360546.db2.gz GEUHNXISBGXPOQ-UHFFFAOYSA-N 1 2 229.305 1.141 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cccnc1 ZINC001320999486 992427254 /nfs/dbraw/zinc/42/72/54/992427254.db2.gz NDJYNVGPQWMHHG-ZJUUUORDSA-N 1 2 231.303 1.622 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCOC(=O)N(C)C ZINC001261658646 992451711 /nfs/dbraw/zinc/45/17/11/992451711.db2.gz MBVFBHHWYIJLFU-UHFFFAOYSA-N 1 2 238.291 1.204 20 0 BDADLO CON(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001261728226 992467099 /nfs/dbraw/zinc/46/70/99/992467099.db2.gz NILNEYISBHKGNR-JTQLQIEISA-N 1 2 237.303 1.244 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCCOCC1 ZINC001261783577 992509222 /nfs/dbraw/zinc/50/92/22/992509222.db2.gz RLJDTNBSYKBMKB-MNOVXSKESA-N 1 2 249.314 1.261 20 0 BDADLO CCC[C@@H](CCO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001261880339 992556779 /nfs/dbraw/zinc/55/67/79/992556779.db2.gz XJNGONZRYDYUJX-QWRGUYRKSA-N 1 2 239.319 1.111 20 0 BDADLO CC(=O)C1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001261914993 992576752 /nfs/dbraw/zinc/57/67/52/992576752.db2.gz UYSJRDUJFVOFEQ-SNVBAGLBSA-N 1 2 249.314 1.272 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](C)c1noc(C)n1)OC ZINC001262010556 992594667 /nfs/dbraw/zinc/59/46/67/992594667.db2.gz JGZXFJDTYWGJAC-SCZZXKLOSA-N 1 2 227.308 1.844 20 0 BDADLO CC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC001262013456 992602302 /nfs/dbraw/zinc/60/23/02/992602302.db2.gz CPSGLXOPTUVLDD-CQSZACIVSA-N 1 2 243.310 1.688 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(C(=O)[O-])C2)C1 ZINC001573406677 992611835 /nfs/dbraw/zinc/61/18/35/992611835.db2.gz CMEQWKCHXOZATK-HSOILSAZSA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C(=O)[O-])C2)C1 ZINC001573406677 992611844 /nfs/dbraw/zinc/61/18/44/992611844.db2.gz CMEQWKCHXOZATK-HSOILSAZSA-N 1 2 240.347 1.312 20 0 BDADLO CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(C(=O)[O-])C1 ZINC001573524364 992624600 /nfs/dbraw/zinc/62/46/00/992624600.db2.gz DZSDTBXXIPQMJI-MCIGGMRASA-N 1 2 242.363 1.416 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ocnc2C)[C@H](C)CO1 ZINC001262111674 992682085 /nfs/dbraw/zinc/68/20/85/992682085.db2.gz MHPKFNFFYZGDHM-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ocnc2C)[C@H](C)CO1 ZINC001262111674 992682089 /nfs/dbraw/zinc/68/20/89/992682089.db2.gz MHPKFNFFYZGDHM-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO C[NH2+]CC(=O)OCc1c(F)cccc1Cl ZINC001573895477 992752798 /nfs/dbraw/zinc/75/27/98/992752798.db2.gz LXBOHAJWJZYAOG-UHFFFAOYSA-N 1 2 231.654 1.742 20 0 BDADLO CO[C@H]1C[NH2+][C@@H](C(=O)O[C@@H]2CCC[C@H](C)C2)C1 ZINC001574000942 992791153 /nfs/dbraw/zinc/79/11/53/992791153.db2.gz QXJUNYHWNZSDJS-IRCOFANPSA-N 1 2 241.331 1.485 20 0 BDADLO CNc1cc(NC/C=C\C2CC2)nc[nH+]1 ZINC001262365705 992861433 /nfs/dbraw/zinc/86/14/33/992861433.db2.gz KABJORXUHDYBLD-IHWYPQMZSA-N 1 2 204.277 1.896 20 0 BDADLO CNc1cc(NC/C=C\C2CC2)[nH+]cn1 ZINC001262365705 992861439 /nfs/dbraw/zinc/86/14/39/992861439.db2.gz KABJORXUHDYBLD-IHWYPQMZSA-N 1 2 204.277 1.896 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)OCC1CC1 ZINC001262805016 993067887 /nfs/dbraw/zinc/06/78/87/993067887.db2.gz BSQGTGOZZOHTSE-LLVKDONJSA-N 1 2 248.326 1.874 20 0 BDADLO COc1cc(-c2ccc[nH+]c2N)c(F)cn1 ZINC000380602311 993340113 /nfs/dbraw/zinc/34/01/13/993340113.db2.gz VPFKISKXADMNDN-UHFFFAOYSA-N 1 2 219.219 1.874 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000380824394 993351818 /nfs/dbraw/zinc/35/18/18/993351818.db2.gz YOGSJSYARSGJEC-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(C)c1 ZINC000380824394 993351821 /nfs/dbraw/zinc/35/18/21/993351821.db2.gz YOGSJSYARSGJEC-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2CCCOC2)no1 ZINC000381125733 993372191 /nfs/dbraw/zinc/37/21/91/993372191.db2.gz JJUYMENCTAFJEE-SECBINFHSA-N 1 2 225.292 1.462 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1conc1C ZINC001263663014 993454428 /nfs/dbraw/zinc/45/44/28/993454428.db2.gz RAVUSDQWUZTUBN-UHFFFAOYSA-N 1 2 235.243 1.556 20 0 BDADLO CNc1cc(CNC(=O)N2C[C@H](C)[C@@H]2C)cc[nH+]1 ZINC001263778948 993506767 /nfs/dbraw/zinc/50/67/67/993506767.db2.gz VIPPJOOKJCBFQG-UWVGGRQHSA-N 1 2 248.330 1.673 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C[NH2+][C@](C)(CC(=O)[O-])C1CC1 ZINC001598602548 993581810 /nfs/dbraw/zinc/58/18/10/993581810.db2.gz DCCHXRBZEMRNSA-DGCLKSJQSA-N 1 2 240.347 1.314 20 0 BDADLO C[N@H+]1CCC[C@@H]1C[NH2+][C@](C)(CC(=O)[O-])C1CC1 ZINC001598602548 993581816 /nfs/dbraw/zinc/58/18/16/993581816.db2.gz DCCHXRBZEMRNSA-DGCLKSJQSA-N 1 2 240.347 1.314 20 0 BDADLO CCC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000389959141 993771367 /nfs/dbraw/zinc/77/13/67/993771367.db2.gz VIECXGCJXFHRIT-ONGXEEELSA-N 1 2 215.293 1.097 20 0 BDADLO O=C1SCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000390784621 993802665 /nfs/dbraw/zinc/80/26/65/993802665.db2.gz NFPMHFQYOAMXBS-QWRGUYRKSA-N 1 2 237.324 1.342 20 0 BDADLO CC[C@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCF ZINC001265651591 993891619 /nfs/dbraw/zinc/89/16/19/993891619.db2.gz MRVWEXIUYXIDOS-QWRGUYRKSA-N 1 2 248.317 1.675 20 0 BDADLO CC[C@H](F)C(=O)NC[C@@H]1CCCC[N@H+]1CCF ZINC001265651591 993891621 /nfs/dbraw/zinc/89/16/21/993891621.db2.gz MRVWEXIUYXIDOS-QWRGUYRKSA-N 1 2 248.317 1.675 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001316601356 994097271 /nfs/dbraw/zinc/09/72/71/994097271.db2.gz GCBPMKJCIWLJIC-VXGBXAGGSA-N 1 2 244.354 1.781 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001316601356 994097286 /nfs/dbraw/zinc/09/72/86/994097286.db2.gz GCBPMKJCIWLJIC-VXGBXAGGSA-N 1 2 244.354 1.781 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cccnc1F ZINC001288770118 994479918 /nfs/dbraw/zinc/47/99/18/994479918.db2.gz BFZLJEKREJMBPX-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001294145426 994684224 /nfs/dbraw/zinc/68/42/24/994684224.db2.gz IGYZZWCIHGJZCD-JGVFFNPUSA-N 1 2 241.241 1.066 20 0 BDADLO CNc1cc(NC[C@@](C)(O)c2ccco2)nc[nH+]1 ZINC001336708084 995084871 /nfs/dbraw/zinc/08/48/71/995084871.db2.gz WUFPEFQABHOTPT-GFCCVEGCSA-N 1 2 248.286 1.431 20 0 BDADLO CNc1cc(NC[C@@](C)(O)c2ccco2)[nH+]cn1 ZINC001336708084 995084879 /nfs/dbraw/zinc/08/48/79/995084879.db2.gz WUFPEFQABHOTPT-GFCCVEGCSA-N 1 2 248.286 1.431 20 0 BDADLO CN1C[C@@H](C[N@@H+]2CCC=C(Cl)C2)OC1=O ZINC001336773605 995102336 /nfs/dbraw/zinc/10/23/36/995102336.db2.gz LBJCOVFOVZECBW-VIFPVBQESA-N 1 2 230.695 1.265 20 0 BDADLO CN1C[C@@H](C[N@H+]2CCC=C(Cl)C2)OC1=O ZINC001336773605 995102340 /nfs/dbraw/zinc/10/23/40/995102340.db2.gz LBJCOVFOVZECBW-VIFPVBQESA-N 1 2 230.695 1.265 20 0 BDADLO CC1CC[NH+](CC(=O)Nc2ccsn2)CC1 ZINC001302924342 995132098 /nfs/dbraw/zinc/13/20/98/995132098.db2.gz KTPPRKQQGLMOIF-UHFFFAOYSA-N 1 2 239.344 1.814 20 0 BDADLO CCc1cn(Cc2occc2C(=O)OC)c[nH+]1 ZINC001307397934 995345066 /nfs/dbraw/zinc/34/50/66/995345066.db2.gz YENNFOCBAUQMNU-UHFFFAOYSA-N 1 2 234.255 1.873 20 0 BDADLO FC1(F)[C@H]2CC[N@H+](Cc3ncccn3)C[C@H]21 ZINC001307598013 995412384 /nfs/dbraw/zinc/41/23/84/995412384.db2.gz SHUSRSJJMITDEC-DTWKUNHWSA-N 1 2 225.242 1.564 20 0 BDADLO FC1(F)[C@H]2CC[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001307598013 995412392 /nfs/dbraw/zinc/41/23/92/995412392.db2.gz SHUSRSJJMITDEC-DTWKUNHWSA-N 1 2 225.242 1.564 20 0 BDADLO CC[C@@H](NCCn1cc[nH+]c1)c1noc(C)n1 ZINC001307668958 995430275 /nfs/dbraw/zinc/43/02/75/995430275.db2.gz JKNGTAGEWOKXPF-SNVBAGLBSA-N 1 2 235.291 1.315 20 0 BDADLO CC1(C)C[N@H+](CC(F)F)[C@@H]2COC[C@@H]21 ZINC000650347423 398135871 /nfs/dbraw/zinc/13/58/71/398135871.db2.gz AFHHZELYSUKMEB-JGVFFNPUSA-N 1 2 205.248 1.608 20 0 BDADLO CC1(C)C[N@@H+](CC(F)F)[C@@H]2COC[C@@H]21 ZINC000650347423 398135873 /nfs/dbraw/zinc/13/58/73/398135873.db2.gz AFHHZELYSUKMEB-JGVFFNPUSA-N 1 2 205.248 1.608 20 0 BDADLO OCCC[N@H+](CCO)Cc1c(F)cccc1F ZINC000093324185 343976681 /nfs/dbraw/zinc/97/66/81/343976681.db2.gz IECPVAGLNHBPKS-UHFFFAOYSA-N 1 2 245.269 1.142 20 0 BDADLO OCCC[N@@H+](CCO)Cc1c(F)cccc1F ZINC000093324185 343976682 /nfs/dbraw/zinc/97/66/82/343976682.db2.gz IECPVAGLNHBPKS-UHFFFAOYSA-N 1 2 245.269 1.142 20 0 BDADLO C[C@H]([C@H](C)O)n1c2ccccc2[nH+]c1NCCO ZINC000268016284 538916182 /nfs/dbraw/zinc/91/61/82/538916182.db2.gz CIBVSJOFGNDFEN-ZJUUUORDSA-N 1 2 249.314 1.382 20 0 BDADLO CCC(CC)(CCO)[NH2+]CC(=O)OC(C)(C)C ZINC000338367141 168320476 /nfs/dbraw/zinc/32/04/76/168320476.db2.gz ADRJNTPVSLEHHC-UHFFFAOYSA-N 1 2 245.363 1.859 20 0 BDADLO C[C@H](CC1CC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161621051 349476774 /nfs/dbraw/zinc/47/67/74/349476774.db2.gz UKSKQZVZHNZSKG-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CCC(CC)([NH2+]C[C@@H](O)CSC)C(=O)OC ZINC000336738791 168331019 /nfs/dbraw/zinc/33/10/19/168331019.db2.gz OPHFHFQBKDZWQF-SECBINFHSA-N 1 2 249.376 1.032 20 0 BDADLO CCC(CC)([NH2+]CCOCC1CC1)C(=O)OC ZINC000338345057 168331441 /nfs/dbraw/zinc/33/14/41/168331441.db2.gz DEOWHQZXMMJOSL-UHFFFAOYSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCO[C@H]1C(C)C ZINC000572899643 398148421 /nfs/dbraw/zinc/14/84/21/398148421.db2.gz GDCBGWCLONAVTD-OLZOCXBDSA-N 1 2 249.358 1.988 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000649333859 398150684 /nfs/dbraw/zinc/15/06/84/398150684.db2.gz HTVGTUHZPJWJIB-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000649333859 398150685 /nfs/dbraw/zinc/15/06/85/398150685.db2.gz HTVGTUHZPJWJIB-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)C(F)F ZINC000379546827 398152259 /nfs/dbraw/zinc/15/22/59/398152259.db2.gz XMCFCOPLONKERN-BQBZGAKWSA-N 1 2 208.252 1.096 20 0 BDADLO CCn1c[nH+]cc1CN[C@@H](C)C(F)F ZINC000389942923 398152797 /nfs/dbraw/zinc/15/27/97/398152797.db2.gz OHIGMAMZDDRRNM-ZETCQYMHSA-N 1 2 203.236 1.646 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccn1 ZINC000563369330 398167562 /nfs/dbraw/zinc/16/75/62/398167562.db2.gz JPNDDGXFIQEAKB-JTQLQIEISA-N 1 2 244.298 1.300 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccn1 ZINC000563369330 398167571 /nfs/dbraw/zinc/16/75/71/398167571.db2.gz JPNDDGXFIQEAKB-JTQLQIEISA-N 1 2 244.298 1.300 20 0 BDADLO Cc1cc(C[NH2+]Cc2csc(C)n2)n(C)n1 ZINC000084244164 178029527 /nfs/dbraw/zinc/02/95/27/178029527.db2.gz GACLKVBPUQRAPE-UHFFFAOYSA-N 1 2 236.344 1.783 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CO)c2ccccc2)nn1C ZINC000359510460 178030523 /nfs/dbraw/zinc/03/05/23/178030523.db2.gz HQFSPHKFGHBXOW-AWEZNQCLSA-N 1 2 245.326 1.552 20 0 BDADLO Cc1cc(CN[C@@H](C)c2[nH]cc[nH+]2)on1 ZINC000309041992 178031018 /nfs/dbraw/zinc/03/10/18/178031018.db2.gz KMEJSCJFYMPOAK-QMMMGPOBSA-N 1 2 206.249 1.557 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncc[nH]2)on1 ZINC000309041992 178031019 /nfs/dbraw/zinc/03/10/19/178031019.db2.gz KMEJSCJFYMPOAK-QMMMGPOBSA-N 1 2 206.249 1.557 20 0 BDADLO Cc1cc(CN[C@@H](c2[nH+]ccn2C)C2CC2)no1 ZINC000362374774 178031914 /nfs/dbraw/zinc/03/19/14/178031914.db2.gz DDRVJVAIQWDSDD-GFCCVEGCSA-N 1 2 246.314 1.957 20 0 BDADLO Cc1cc(C[NH2+][C@@H](CCO)c2ccco2)on1 ZINC000274446814 178032116 /nfs/dbraw/zinc/03/21/16/178032116.db2.gz UKJPEEVKWIJJOE-NSHDSACASA-N 1 2 236.271 1.789 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000112989657 136216337 /nfs/dbraw/zinc/21/63/37/136216337.db2.gz MNIQOSMTDDJLQO-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000112989657 136216338 /nfs/dbraw/zinc/21/63/38/136216338.db2.gz MNIQOSMTDDJLQO-JTQLQIEISA-N 1 2 225.292 1.236 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)no1 ZINC000352746034 178042092 /nfs/dbraw/zinc/04/20/92/178042092.db2.gz OAPKXIDEDJROPH-ZANVPECISA-N 1 2 235.331 1.555 20 0 BDADLO Cc1cc(CSc2nc(N)cc(C)[nH+]2)ncn1 ZINC000291673210 178053724 /nfs/dbraw/zinc/05/37/24/178053724.db2.gz MNMDDTGCWIGGAB-UHFFFAOYSA-N 1 2 247.327 1.758 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000423174154 398164115 /nfs/dbraw/zinc/16/41/15/398164115.db2.gz BLZXWQMQMWIHKJ-PSASIEDQSA-N 1 2 241.360 1.647 20 0 BDADLO CCC(CC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000126447129 168337723 /nfs/dbraw/zinc/33/77/23/168337723.db2.gz DEUYRWNEXKGSOM-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO Cc1cc(F)cc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000173477503 178076520 /nfs/dbraw/zinc/07/65/20/178076520.db2.gz KRKIMBQZDMOCBF-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO CCC(CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000331018756 168338093 /nfs/dbraw/zinc/33/80/93/168338093.db2.gz INNJKGZRJKVZBW-UHFFFAOYSA-N 1 2 209.293 1.771 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2cccnc2)nn1 ZINC000336684970 398188123 /nfs/dbraw/zinc/18/81/23/398188123.db2.gz CXPVKDBFIVXTTN-UHFFFAOYSA-N 1 2 231.303 1.544 20 0 BDADLO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)nc[nH+]1 ZINC000301775546 178114771 /nfs/dbraw/zinc/11/47/71/178114771.db2.gz NSJLOGKHXBHEOZ-WDEREUQCSA-N 1 2 221.304 1.525 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295060877 178085287 /nfs/dbraw/zinc/08/52/87/178085287.db2.gz QFSSTLUWZDBJND-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295060877 178085289 /nfs/dbraw/zinc/08/52/89/178085289.db2.gz QFSSTLUWZDBJND-JTQLQIEISA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295060880 178085734 /nfs/dbraw/zinc/08/57/34/178085734.db2.gz QFSSTLUWZDBJND-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295060880 178085738 /nfs/dbraw/zinc/08/57/38/178085738.db2.gz QFSSTLUWZDBJND-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc([NH+](C)C)ccc1NCc1cnn(C)n1 ZINC000293633804 178095784 /nfs/dbraw/zinc/09/57/84/178095784.db2.gz RGBGCTJQLCYHJX-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000649946032 398193612 /nfs/dbraw/zinc/19/36/12/398193612.db2.gz DXCSCJGXGTUVLM-LLVKDONJSA-N 1 2 246.289 1.811 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000649946032 398193614 /nfs/dbraw/zinc/19/36/14/398193614.db2.gz DXCSCJGXGTUVLM-LLVKDONJSA-N 1 2 246.289 1.811 20 0 BDADLO CCC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000558646462 398184750 /nfs/dbraw/zinc/18/47/50/398184750.db2.gz LXHZLXSHBBCPOD-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1cc(N2CC(CC(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000360061768 178113233 /nfs/dbraw/zinc/11/32/33/178113233.db2.gz CAKORVTUOPICPM-UHFFFAOYSA-N 1 2 248.330 1.220 20 0 BDADLO Cc1cc(N2CCOCC[C@@H]2C)nc[nH+]1 ZINC000301991851 178115738 /nfs/dbraw/zinc/11/57/38/178115738.db2.gz NNKYBOINDAUNRY-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1cc(N2CC[NH+](Cc3ccno3)CC2)n[nH]1 ZINC000375358332 178115904 /nfs/dbraw/zinc/11/59/04/178115904.db2.gz VXKGGAONCGOBNW-UHFFFAOYSA-N 1 2 247.302 1.028 20 0 BDADLO Cc1cc(NC(=O)CCn2cncn2)cc[nH+]1 ZINC000298079395 178131376 /nfs/dbraw/zinc/13/13/76/178131376.db2.gz KBCWMFASUXJJPD-UHFFFAOYSA-N 1 2 231.259 1.010 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000573084690 398208420 /nfs/dbraw/zinc/20/84/20/398208420.db2.gz QNGLRBAWQUMHPQ-DGCLKSJQSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H](C)CCO)cc[nH+]1 ZINC000271167363 178138525 /nfs/dbraw/zinc/13/85/25/178138525.db2.gz XHJXPUMWBVUXND-VIFPVBQESA-N 1 2 237.303 1.530 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCOC2)cc[nH+]1 ZINC000119818876 178141252 /nfs/dbraw/zinc/14/12/52/178141252.db2.gz NZCACKRPMDDCAD-QWRGUYRKSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCOC2)cc[nH+]1 ZINC000119818633 178141322 /nfs/dbraw/zinc/14/13/22/178141322.db2.gz NZCACKRPMDDCAD-WDEREUQCSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1cc(NCCn2ccnn2)nc(C(C)C)[nH+]1 ZINC000136313029 178164738 /nfs/dbraw/zinc/16/47/38/178164738.db2.gz FVALKYAUZWCHIX-UHFFFAOYSA-N 1 2 246.318 1.612 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)n2cccn2)cc[nH+]1 ZINC000299240904 178147952 /nfs/dbraw/zinc/14/79/52/178147952.db2.gz VSUUMSWSAHVDGC-JTQLQIEISA-N 1 2 230.271 1.786 20 0 BDADLO COc1cc(O)cc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000576375378 365580816 /nfs/dbraw/zinc/58/08/16/365580816.db2.gz TYNFHHUGADRIHM-UHFFFAOYSA-N 1 2 247.254 1.236 20 0 BDADLO Cc1cc(NCC2(CO)CCC2)nc[nH+]1 ZINC000302199546 178156954 /nfs/dbraw/zinc/15/69/54/178156954.db2.gz YRDSQPLBLPARDL-UHFFFAOYSA-N 1 2 207.277 1.360 20 0 BDADLO Cc1cc(NC[C@@]2(O)CCOC2)nc(C2CC2)[nH+]1 ZINC000178961827 178168172 /nfs/dbraw/zinc/16/81/72/178168172.db2.gz USTAUGYCHNHWCZ-ZDUSSCGKSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cc(NC[C@H](O)c2ccco2)nc[nH+]1 ZINC000301275808 178168355 /nfs/dbraw/zinc/16/83/55/178168355.db2.gz WJLCTORUWBCWEG-VIFPVBQESA-N 1 2 219.244 1.524 20 0 BDADLO Cc1cc(NC[C@H](O)c2ccncc2)nc[nH+]1 ZINC000128519672 178168831 /nfs/dbraw/zinc/16/88/31/178168831.db2.gz QDAAMTINGGNKOZ-NSHDSACASA-N 1 2 230.271 1.326 20 0 BDADLO Cc1cc(CNc2cc(C)[nH+]cn2)no1 ZINC000044726146 178171924 /nfs/dbraw/zinc/17/19/24/178171924.db2.gz CMOLRTGXUGLYHJ-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO Cc1nnc(CNc2cc(C)[nH+]cn2)n1C1CC1 ZINC000302122191 178176119 /nfs/dbraw/zinc/17/61/19/178176119.db2.gz GQEBETVLPVKYDJ-UHFFFAOYSA-N 1 2 244.302 1.632 20 0 BDADLO Cc1cc(N[C@@H](CCO)C2CC2)nc[nH+]1 ZINC000301353055 178179651 /nfs/dbraw/zinc/17/96/51/178179651.db2.gz MAYMZVALYHBZCN-JTQLQIEISA-N 1 2 207.277 1.358 20 0 BDADLO Cc1cc(N[C@H](C)CO[C@H]2CCOC2)nc[nH+]1 ZINC000133812916 178186579 /nfs/dbraw/zinc/18/65/79/178186579.db2.gz OOWZXDDLRCNOJN-MNOVXSKESA-N 1 2 237.303 1.391 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000421382446 192325829 /nfs/dbraw/zinc/32/58/29/192325829.db2.gz XQNRNXPQYPRQIT-PSASIEDQSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000421382446 192325832 /nfs/dbraw/zinc/32/58/32/192325832.db2.gz XQNRNXPQYPRQIT-PSASIEDQSA-N 1 2 245.273 1.623 20 0 BDADLO CC(C)(C)[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000073390409 343987020 /nfs/dbraw/zinc/98/70/20/343987020.db2.gz JOGNWGGBJFEMLQ-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1CCC1 ZINC000366770873 136222955 /nfs/dbraw/zinc/22/29/55/136222955.db2.gz GRSUEMGSNVHAHF-UHFFFAOYSA-N 1 2 247.342 1.978 20 0 BDADLO C[C@H]1CC[N@H+](CCc2ccnn2C)CC1(F)F ZINC000334233180 136224260 /nfs/dbraw/zinc/22/42/60/136224260.db2.gz NXVJNDXJZXBYRW-JTQLQIEISA-N 1 2 243.301 1.940 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2ccnn2C)CC1(F)F ZINC000334233180 136224261 /nfs/dbraw/zinc/22/42/61/136224261.db2.gz NXVJNDXJZXBYRW-JTQLQIEISA-N 1 2 243.301 1.940 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nnc[nH]2)c(C)o1 ZINC000037919589 178228757 /nfs/dbraw/zinc/22/87/57/178228757.db2.gz DLCUKNXLISNMLU-MRVPVSSYSA-N 1 2 220.276 1.865 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)no1 ZINC000336618853 178230543 /nfs/dbraw/zinc/23/05/43/178230543.db2.gz FDLYJCZRAWJRRR-MWLCHTKSSA-N 1 2 246.314 1.914 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000279802014 538936735 /nfs/dbraw/zinc/93/67/35/538936735.db2.gz HACVGCFGKOLFQI-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000279802014 538936737 /nfs/dbraw/zinc/93/67/37/538936737.db2.gz HACVGCFGKOLFQI-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2=O)s1 ZINC000076342505 398235958 /nfs/dbraw/zinc/23/59/58/398235958.db2.gz VWNSOAKBUDWWTG-SNVBAGLBSA-N 1 2 225.313 1.804 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CCOC2=O)s1 ZINC000076342505 398235962 /nfs/dbraw/zinc/23/59/62/398235962.db2.gz VWNSOAKBUDWWTG-SNVBAGLBSA-N 1 2 225.313 1.804 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)c2[nH+]ccn21 ZINC000650075933 398233385 /nfs/dbraw/zinc/23/33/85/398233385.db2.gz CDRMFYRCXLBWMB-HBNTYKKESA-N 1 2 249.314 1.574 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2nnnn2C)c(C)o1 ZINC000330864126 178251783 /nfs/dbraw/zinc/25/17/83/178251783.db2.gz RBBTVXXJOROAOH-QMMMGPOBSA-N 1 2 235.291 1.271 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000361683694 178265430 /nfs/dbraw/zinc/26/54/30/178265430.db2.gz DOAHLHLJVUXJBF-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)[nH]n1 ZINC000361683694 178265433 /nfs/dbraw/zinc/26/54/33/178265433.db2.gz DOAHLHLJVUXJBF-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n[nH]1 ZINC000361683694 178265436 /nfs/dbraw/zinc/26/54/36/178265436.db2.gz DOAHLHLJVUXJBF-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n[nH]1 ZINC000361683694 178265437 /nfs/dbraw/zinc/26/54/37/178265437.db2.gz DOAHLHLJVUXJBF-NSHDSACASA-N 1 2 245.330 1.821 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(F)cc1 ZINC000076418933 398239604 /nfs/dbraw/zinc/23/96/04/398239604.db2.gz DWBXMXCNKROZPX-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)cc1 ZINC000076418933 398239606 /nfs/dbraw/zinc/23/96/06/398239606.db2.gz DWBXMXCNKROZPX-GFCCVEGCSA-N 1 2 236.290 1.536 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(C)s1 ZINC000076497099 398241892 /nfs/dbraw/zinc/24/18/92/398241892.db2.gz UCDPWGQJNLJYNU-UHFFFAOYSA-N 1 2 213.302 1.661 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(C)s1 ZINC000076497099 398241894 /nfs/dbraw/zinc/24/18/94/398241894.db2.gz UCDPWGQJNLJYNU-UHFFFAOYSA-N 1 2 213.302 1.661 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c[nH]c[nH+]1 ZINC000576562239 365624967 /nfs/dbraw/zinc/62/49/67/365624967.db2.gz YAEPGIGIOAMFLL-OUAUKWLOSA-N 1 2 247.342 1.992 20 0 BDADLO Cc1cc[nH]c1C(=O)NCCCn1cc[nH+]c1 ZINC000281940016 178313595 /nfs/dbraw/zinc/31/35/95/178313595.db2.gz WOKGBBOHEPUQES-UHFFFAOYSA-N 1 2 232.287 1.340 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000287025715 538944307 /nfs/dbraw/zinc/94/43/07/538944307.db2.gz IBZHSRLEASRYSP-SNVBAGLBSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000287025715 538944308 /nfs/dbraw/zinc/94/43/08/538944308.db2.gz IBZHSRLEASRYSP-SNVBAGLBSA-N 1 2 221.304 1.647 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]cn2CC)CCO1 ZINC000417697668 398253267 /nfs/dbraw/zinc/25/32/67/398253267.db2.gz IEEAWKXTRFDFOB-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO C[C@@H](CC(=O)NCCc1ccc[nH]1)n1cc[nH+]c1 ZINC000576641996 365647766 /nfs/dbraw/zinc/64/77/66/365647766.db2.gz ZYQAHNYBRSEQKG-NSHDSACASA-N 1 2 246.314 1.521 20 0 BDADLO CCN1C[C@@H](C)[N@@H+](Cc2ncccc2O)[C@@H](C)C1 ZINC000576645067 365649850 /nfs/dbraw/zinc/64/98/50/365649850.db2.gz SFBZNRIRFNDZQL-TXEJJXNPSA-N 1 2 249.358 1.702 20 0 BDADLO CCN1C[C@@H](C)[N@H+](Cc2ncccc2O)[C@@H](C)C1 ZINC000576645067 365649854 /nfs/dbraw/zinc/64/98/54/365649854.db2.gz SFBZNRIRFNDZQL-TXEJJXNPSA-N 1 2 249.358 1.702 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2ccnn2C)on1 ZINC000576695843 365659882 /nfs/dbraw/zinc/65/98/82/365659882.db2.gz GOFBYEZBPZHLSF-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO Cc1cc(N[C@@H](CO)CCC(C)C)nc[nH+]1 ZINC000624530662 343996624 /nfs/dbraw/zinc/99/66/24/343996624.db2.gz QZXDBCKTJYFXPW-LLVKDONJSA-N 1 2 223.320 1.994 20 0 BDADLO CC(=O)c1ccc(NCc2c[nH+]cn2C)nc1 ZINC000291071062 538946811 /nfs/dbraw/zinc/94/68/11/538946811.db2.gz HASSCSSGGMOHAB-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO CCC[C@@H](CC)NC(=O)NCc1c[nH+]cn1C ZINC000290885289 538947093 /nfs/dbraw/zinc/94/70/93/538947093.db2.gz SSLOVVZYHVTJNQ-SNVBAGLBSA-N 1 2 238.335 1.798 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1C=CCC1 ZINC000291212269 538947320 /nfs/dbraw/zinc/94/73/20/538947320.db2.gz MFJNHPLNEPNJDC-SNVBAGLBSA-N 1 2 219.288 1.393 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1ccccc1 ZINC000291514736 538947911 /nfs/dbraw/zinc/94/79/11/538947911.db2.gz ULCAKOLCAGMAMT-UHFFFAOYSA-N 1 2 243.310 1.669 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1cccs1 ZINC000291457345 538948015 /nfs/dbraw/zinc/94/80/15/538948015.db2.gz NSOVDJXLPKIULC-SECBINFHSA-N 1 2 249.339 1.902 20 0 BDADLO CC(C)C[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291465914 538948091 /nfs/dbraw/zinc/94/80/91/538948091.db2.gz OQXHYAKPROWSSY-JTQLQIEISA-N 1 2 223.320 1.719 20 0 BDADLO Cc1ccc(C)c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291459133 538948260 /nfs/dbraw/zinc/94/82/60/538948260.db2.gz NXXLGRPRPFXKQN-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc2ccccc2n1C ZINC000602443135 349544314 /nfs/dbraw/zinc/54/43/14/349544314.db2.gz RJYMUDGLQPIJSL-UHFFFAOYSA-N 1 2 246.310 1.783 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc2ccccc2n1C ZINC000602443135 349544320 /nfs/dbraw/zinc/54/43/20/349544320.db2.gz RJYMUDGLQPIJSL-UHFFFAOYSA-N 1 2 246.310 1.783 20 0 BDADLO CC(C)C(C)(C)C(=O)NCc1c[nH+]cn1C ZINC000291121054 538947830 /nfs/dbraw/zinc/94/78/30/538947830.db2.gz DJNNNJNCIBDGRS-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO CCCCO[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291142127 538947863 /nfs/dbraw/zinc/94/78/63/538947863.db2.gz GDPOPCLTWGOLSH-SNVBAGLBSA-N 1 2 239.319 1.242 20 0 BDADLO Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)o1 ZINC000155086762 178376878 /nfs/dbraw/zinc/37/68/78/178376878.db2.gz LGMZEOLLTSGEEG-UHFFFAOYSA-N 1 2 247.298 1.947 20 0 BDADLO O=C1CCC(C[N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000649468783 398269036 /nfs/dbraw/zinc/26/90/36/398269036.db2.gz AWKWNOVNKUXJMA-JTQLQIEISA-N 1 2 247.285 1.448 20 0 BDADLO O=C1CCC(C[N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000649468783 398269040 /nfs/dbraw/zinc/26/90/40/398269040.db2.gz AWKWNOVNKUXJMA-JTQLQIEISA-N 1 2 247.285 1.448 20 0 BDADLO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(F)F ZINC000378857863 346847612 /nfs/dbraw/zinc/84/76/12/346847612.db2.gz LYQATJTUMYTNIF-WPRPVWTQSA-N 1 2 218.291 1.714 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421414110 192342465 /nfs/dbraw/zinc/34/24/65/192342465.db2.gz AAFUZWPTSJUIGG-TUAOUCFPSA-N 1 2 233.315 1.436 20 0 BDADLO O=S1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000600117258 342674176 /nfs/dbraw/zinc/67/41/76/342674176.db2.gz JPQJCNLCFPOZMO-UHFFFAOYSA-N 1 2 249.339 1.127 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC000600146056 342690214 /nfs/dbraw/zinc/69/02/14/342690214.db2.gz UYHMJDICFJCSER-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC000600146056 342690216 /nfs/dbraw/zinc/69/02/16/342690216.db2.gz UYHMJDICFJCSER-GLEZIHRCSA-N 1 2 230.333 1.182 20 0 BDADLO COC(=O)[C@H](NCc1[nH]cc(C)[nH+]1)C(C)(C)C ZINC000600149436 342691337 /nfs/dbraw/zinc/69/13/37/342691337.db2.gz YEPWYGOEGZMPIS-JTQLQIEISA-N 1 2 239.319 1.395 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H](C)C2CC2)no1 ZINC000182388936 538963276 /nfs/dbraw/zinc/96/32/76/538963276.db2.gz ALGZJYLFJIMYJC-QMMMGPOBSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H](C)C2CC2)no1 ZINC000182388936 538963277 /nfs/dbraw/zinc/96/32/77/538963277.db2.gz ALGZJYLFJIMYJC-QMMMGPOBSA-N 1 2 225.292 1.446 20 0 BDADLO CCc1cc(N[C@H](C)Cc2cnn(C)c2)nc[nH+]1 ZINC000649479997 398277450 /nfs/dbraw/zinc/27/74/50/398277450.db2.gz MQBBQQBQBURMNG-SNVBAGLBSA-N 1 2 245.330 1.816 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)O)C1CCCCC1 ZINC000309610960 342746671 /nfs/dbraw/zinc/74/66/71/342746671.db2.gz BIUPIKJBWPRCNG-MWLCHTKSSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1cc(CNC(=O)[C@H](O)C2CC2)cc(C)[nH+]1 ZINC000616364775 342723511 /nfs/dbraw/zinc/72/35/11/342723511.db2.gz OPMGRHYOBDZVCE-GFCCVEGCSA-N 1 2 234.299 1.086 20 0 BDADLO COCC1=CC[N@@H+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000583942452 342729403 /nfs/dbraw/zinc/72/94/03/342729403.db2.gz DYYSFWNUEULHSJ-JTQLQIEISA-N 1 2 248.330 1.229 20 0 BDADLO COCC1=CC[N@H+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000583942452 342729404 /nfs/dbraw/zinc/72/94/04/342729404.db2.gz DYYSFWNUEULHSJ-JTQLQIEISA-N 1 2 248.330 1.229 20 0 BDADLO CCc1cc(NC[C@@]2(C)CCOC2)nc[nH+]1 ZINC000309632386 342761367 /nfs/dbraw/zinc/76/13/67/342761367.db2.gz IERLGFWAOHSMOK-GFCCVEGCSA-N 1 2 221.304 1.878 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCC[C@H](C)C1 ZINC000066405857 342799443 /nfs/dbraw/zinc/79/94/43/342799443.db2.gz XSDRNDQQYVNNFK-NSHDSACASA-N 1 2 237.351 1.705 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCC[C@H](C)C1 ZINC000066405857 342799444 /nfs/dbraw/zinc/79/94/44/342799444.db2.gz XSDRNDQQYVNNFK-NSHDSACASA-N 1 2 237.351 1.705 20 0 BDADLO COc1ccc[nH+]c1N1CCO[C@@H](CCF)C1 ZINC000624653055 342808607 /nfs/dbraw/zinc/80/86/07/342808607.db2.gz ZFGLHPVXHFMHEA-JTQLQIEISA-N 1 2 240.278 1.655 20 0 BDADLO Cn1c[nH+]cc1CNC(C)(C)C(F)F ZINC000379595546 538978829 /nfs/dbraw/zinc/97/88/29/538978829.db2.gz DPEIZPGRPIPHBQ-UHFFFAOYSA-N 1 2 203.236 1.553 20 0 BDADLO CC(C)c1[nH+]cc(-c2ccnn2C)n1C ZINC000630050482 361913821 /nfs/dbraw/zinc/91/38/21/361913821.db2.gz GKXZTIPDMSZHGX-UHFFFAOYSA-N 1 2 204.277 1.944 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCCC12CC2 ZINC000624758218 342825795 /nfs/dbraw/zinc/82/57/95/342825795.db2.gz LRJFFTUDDJDGDN-VIFPVBQESA-N 1 2 248.330 1.482 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCCC12CC2 ZINC000624758218 342825796 /nfs/dbraw/zinc/82/57/96/342825796.db2.gz LRJFFTUDDJDGDN-VIFPVBQESA-N 1 2 248.330 1.482 20 0 BDADLO Cc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc[nH+]1 ZINC000624745821 342824020 /nfs/dbraw/zinc/82/40/20/342824020.db2.gz KYKWJWSYBQPWRY-HOSYDEDBSA-N 1 2 219.288 1.135 20 0 BDADLO CCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000624735974 342824285 /nfs/dbraw/zinc/82/42/85/342824285.db2.gz DVZUCTUGJTUJGY-SNVBAGLBSA-N 1 2 209.293 1.578 20 0 BDADLO CO[C@H]1C[C@H](Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000624735241 342824303 /nfs/dbraw/zinc/82/43/03/342824303.db2.gz ZUCWJIACKRTHEN-KYZUINATSA-N 1 2 244.298 1.054 20 0 BDADLO [NH3+][C@H](C(=O)N1CCCCC1)c1cscn1 ZINC000335479617 398291102 /nfs/dbraw/zinc/29/11/02/398291102.db2.gz WMJLMOKWNQUNAW-VIFPVBQESA-N 1 2 225.317 1.155 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cccc(F)c1 ZINC000189032131 538980204 /nfs/dbraw/zinc/98/02/04/538980204.db2.gz ULVKTVGRYJMZLL-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cccc(F)c1 ZINC000189032131 538980205 /nfs/dbraw/zinc/98/02/05/538980205.db2.gz ULVKTVGRYJMZLL-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO C/C=C\CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000624829459 342833336 /nfs/dbraw/zinc/83/33/36/342833336.db2.gz YWJVIRMJBVYTHW-DLRQAJBASA-N 1 2 248.330 1.495 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn[nH]c1)c1ccco1 ZINC000381447014 539000901 /nfs/dbraw/zinc/00/09/01/539000901.db2.gz GCXLIXHGCKDEKT-SNVBAGLBSA-N 1 2 221.260 1.480 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)ccc1O ZINC000193636119 539006815 /nfs/dbraw/zinc/00/68/15/539006815.db2.gz URSMPLYJFJNWFT-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)ccc1O ZINC000193636119 539006816 /nfs/dbraw/zinc/00/68/16/539006816.db2.gz URSMPLYJFJNWFT-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1nsc(N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000381818248 539007651 /nfs/dbraw/zinc/00/76/51/539007651.db2.gz JZKDCRPURLULQP-SNVBAGLBSA-N 1 2 238.360 1.165 20 0 BDADLO Cc1nsc(N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000381818248 539007653 /nfs/dbraw/zinc/00/76/53/539007653.db2.gz JZKDCRPURLULQP-SNVBAGLBSA-N 1 2 238.360 1.165 20 0 BDADLO Nc1[nH+]cnc(N2CC3(C2)CCCO3)c1Cl ZINC000624543629 344005283 /nfs/dbraw/zinc/00/52/83/344005283.db2.gz FEEUZJFTGUMSPQ-UHFFFAOYSA-N 1 2 240.694 1.081 20 0 BDADLO C[C@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CO1 ZINC000401435608 259322972 /nfs/dbraw/zinc/32/29/72/259322972.db2.gz YQBUNPJYUVVHPO-WDSKDSINSA-N 1 2 228.683 1.302 20 0 BDADLO C[C@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)CO1 ZINC000401435608 259322973 /nfs/dbraw/zinc/32/29/73/259322973.db2.gz YQBUNPJYUVVHPO-WDSKDSINSA-N 1 2 228.683 1.302 20 0 BDADLO Nc1[nH+]cnc(N[C@H](CO)CC2CC2)c1Cl ZINC000381199769 538996078 /nfs/dbraw/zinc/99/60/78/538996078.db2.gz FEELICGXYWJRIK-ZETCQYMHSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(N[C@H](CO)CC2CC2)c1Cl ZINC000381199769 538996080 /nfs/dbraw/zinc/99/60/80/538996080.db2.gz FEELICGXYWJRIK-ZETCQYMHSA-N 1 2 242.710 1.285 20 0 BDADLO CCc1cc(N2CC3(C2)CCCO3)nc(C)[nH+]1 ZINC000624543108 344005414 /nfs/dbraw/zinc/00/54/14/344005414.db2.gz MILNHZDIXGAYCC-UHFFFAOYSA-N 1 2 233.315 1.717 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1CCCc2occc21 ZINC000192916554 538999514 /nfs/dbraw/zinc/99/95/14/538999514.db2.gz UBCAXJRMQJPFHK-JTQLQIEISA-N 1 2 232.287 1.575 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1[nH]c2ccccc2[nH+]1 ZINC000649501683 398299525 /nfs/dbraw/zinc/29/95/25/398299525.db2.gz QVVQXMXOACJTDS-LDYMZIIASA-N 1 2 217.272 1.522 20 0 BDADLO CCc1cc(NC[C@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000388773211 539014936 /nfs/dbraw/zinc/01/49/36/539014936.db2.gz URVAMLBSICSDEC-MNOVXSKESA-N 1 2 235.331 1.688 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CCCc3cccnc32)nn1 ZINC000389814180 539017702 /nfs/dbraw/zinc/01/77/02/539017702.db2.gz LSGVZXJDCJHRFC-GFCCVEGCSA-N 1 2 243.314 1.377 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000348850101 136242228 /nfs/dbraw/zinc/24/22/28/136242228.db2.gz SDDQCSUMHNDLED-SNVBAGLBSA-N 1 2 240.351 1.500 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000348850101 136242229 /nfs/dbraw/zinc/24/22/29/136242229.db2.gz SDDQCSUMHNDLED-SNVBAGLBSA-N 1 2 240.351 1.500 20 0 BDADLO CC(C)(C)CNC(=O)C[NH+]1CCSCC1 ZINC000625083694 342849042 /nfs/dbraw/zinc/84/90/42/342849042.db2.gz SXUXEKUHEMYFNA-UHFFFAOYSA-N 1 2 230.377 1.198 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@@]12CCOC2 ZINC000367062052 136242571 /nfs/dbraw/zinc/24/25/71/136242571.db2.gz JJLINSHBNJCWSR-ZDUSSCGKSA-N 1 2 249.314 1.702 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@@]12CCOC2 ZINC000367062052 136242572 /nfs/dbraw/zinc/24/25/72/136242572.db2.gz JJLINSHBNJCWSR-ZDUSSCGKSA-N 1 2 249.314 1.702 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cnoc1C ZINC000189303772 346868126 /nfs/dbraw/zinc/86/81/26/346868126.db2.gz OJRCPVNAWUYMPE-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cnoc1C ZINC000189303772 346868131 /nfs/dbraw/zinc/86/81/31/346868131.db2.gz OJRCPVNAWUYMPE-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000037331512 398316012 /nfs/dbraw/zinc/31/60/12/398316012.db2.gz NVUABDWRVNRDCH-UHFFFAOYSA-N 1 2 232.327 1.706 20 0 BDADLO C[N@H+](Cc1noc(C2CCC2)n1)CC(C)(C)O ZINC000625165379 342898781 /nfs/dbraw/zinc/89/87/81/342898781.db2.gz BDMMGKKBXMIMDP-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[N@@H+](Cc1noc(C2CCC2)n1)CC(C)(C)O ZINC000625165379 342898782 /nfs/dbraw/zinc/89/87/82/342898782.db2.gz BDMMGKKBXMIMDP-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CC1)c1cccs1 ZINC000041672580 398320824 /nfs/dbraw/zinc/32/08/24/398320824.db2.gz RMIXJXLVMXRJKH-SNVBAGLBSA-N 1 2 225.313 1.962 20 0 BDADLO COC(=O)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000134782003 342886029 /nfs/dbraw/zinc/88/60/29/342886029.db2.gz NXULWUVFHPFMHZ-UHFFFAOYSA-N 1 2 249.314 1.929 20 0 BDADLO CCCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332380458 398313408 /nfs/dbraw/zinc/31/34/08/398313408.db2.gz OGIMJZCPSXAEMM-ZJUUUORDSA-N 1 2 224.308 1.367 20 0 BDADLO CCCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000332380458 398313412 /nfs/dbraw/zinc/31/34/12/398313412.db2.gz OGIMJZCPSXAEMM-ZJUUUORDSA-N 1 2 224.308 1.367 20 0 BDADLO CCCC[N@@H+]1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000332380458 398313413 /nfs/dbraw/zinc/31/34/13/398313413.db2.gz OGIMJZCPSXAEMM-ZJUUUORDSA-N 1 2 224.308 1.367 20 0 BDADLO CCCC[N@H+]1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000332380458 398313416 /nfs/dbraw/zinc/31/34/16/398313416.db2.gz OGIMJZCPSXAEMM-ZJUUUORDSA-N 1 2 224.308 1.367 20 0 BDADLO CO[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000336085349 398315277 /nfs/dbraw/zinc/31/52/77/398315277.db2.gz WSXSBEYEAVXDFE-LLVKDONJSA-N 1 2 245.282 1.195 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000625177947 342902172 /nfs/dbraw/zinc/90/21/72/342902172.db2.gz BRQSILUHQDNRLJ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625177947 342902173 /nfs/dbraw/zinc/90/21/73/342902173.db2.gz BRQSILUHQDNRLJ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)OC(C)(C)C ZINC000312992769 259329067 /nfs/dbraw/zinc/32/90/67/259329067.db2.gz OFYITQIHDDQGKN-UWVGGRQHSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045784530 342923255 /nfs/dbraw/zinc/92/32/55/342923255.db2.gz WDERLJMDXACQFV-DTWKUNHWSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045784530 342923256 /nfs/dbraw/zinc/92/32/56/342923256.db2.gz WDERLJMDXACQFV-DTWKUNHWSA-N 1 2 224.304 1.901 20 0 BDADLO CC=CC=CC(=O)NCc1[nH]c[nH+]c1C ZINC000380169974 346874669 /nfs/dbraw/zinc/87/46/69/346874669.db2.gz JHRKCNIUPQRDJO-ICWBMWKASA-N 1 2 205.261 1.467 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000037303285 342926743 /nfs/dbraw/zinc/92/67/43/342926743.db2.gz OPDJPHBHUDQVBZ-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000037303281 342926832 /nfs/dbraw/zinc/92/68/32/342926832.db2.gz OPDJPHBHUDQVBZ-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000351603323 136247442 /nfs/dbraw/zinc/24/74/42/136247442.db2.gz QIOXQCXBSHVFGD-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000351603323 136247443 /nfs/dbraw/zinc/24/74/43/136247443.db2.gz QIOXQCXBSHVFGD-ZJUUUORDSA-N 1 2 221.304 1.394 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000234566160 342929951 /nfs/dbraw/zinc/92/99/51/342929951.db2.gz GIBUTHVESZKGAT-SDDRHHMPSA-N 1 2 241.331 1.079 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000602633310 349649836 /nfs/dbraw/zinc/64/98/36/349649836.db2.gz GZKSTLPAQLWUGF-NSHDSACASA-N 1 2 221.300 1.689 20 0 BDADLO Clc1cnccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000351652080 136249315 /nfs/dbraw/zinc/24/93/15/136249315.db2.gz ZFJXIOBXUHIZHS-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1cnccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000351652080 136249316 /nfs/dbraw/zinc/24/93/16/136249316.db2.gz ZFJXIOBXUHIZHS-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000336308207 398329555 /nfs/dbraw/zinc/32/95/55/398329555.db2.gz NBRPQZXCQKJNHT-SNVBAGLBSA-N 1 2 242.388 1.435 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000336308207 398329556 /nfs/dbraw/zinc/32/95/56/398329556.db2.gz NBRPQZXCQKJNHT-SNVBAGLBSA-N 1 2 242.388 1.435 20 0 BDADLO COC1(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000234613891 342932707 /nfs/dbraw/zinc/93/27/07/342932707.db2.gz BSSGSNNQEVMWGX-SECBINFHSA-N 1 2 237.303 1.546 20 0 BDADLO Cc1nc(N[C@@H]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000304471207 398336707 /nfs/dbraw/zinc/33/67/07/398336707.db2.gz NJHHEVHXOZQJJZ-MRVPVSSYSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC(C)(C)C2)[nH+]1 ZINC000304471207 398336708 /nfs/dbraw/zinc/33/67/08/398336708.db2.gz NJHHEVHXOZQJJZ-MRVPVSSYSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N(C)[C@@H](C)C2(C)CC2)nc(N)[nH+]1 ZINC000385595258 398338333 /nfs/dbraw/zinc/33/83/33/398338333.db2.gz CIDZFCQOTMKWCG-ZETCQYMHSA-N 1 2 221.308 1.217 20 0 BDADLO Cc1nc(N)nc(N(C)[C@@H](C)C2(C)CC2)[nH+]1 ZINC000385595258 398338334 /nfs/dbraw/zinc/33/83/34/398338334.db2.gz CIDZFCQOTMKWCG-ZETCQYMHSA-N 1 2 221.308 1.217 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)(F)F ZINC000493839571 529456738 /nfs/dbraw/zinc/45/67/38/529456738.db2.gz BEYBHQQCENCLHV-RTMURIBGSA-N 1 2 247.220 1.880 20 0 BDADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)O ZINC000493400981 529456758 /nfs/dbraw/zinc/45/67/58/529456758.db2.gz KHTBWMDFKTZYTM-CYNONHLPSA-N 1 2 237.303 1.089 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000355114083 398331609 /nfs/dbraw/zinc/33/16/09/398331609.db2.gz CQBIXAJFLHRXAY-UTUOFQBUSA-N 1 2 247.342 1.782 20 0 BDADLO COC(=O)c1[nH]c(C[N@@H+]2CC[C@H](F)C2)cc1C ZINC000602674071 349667461 /nfs/dbraw/zinc/66/74/61/349667461.db2.gz DOIPZZBTMWSTGG-VIFPVBQESA-N 1 2 240.278 1.654 20 0 BDADLO COC(=O)c1[nH]c(C[N@H+]2CC[C@H](F)C2)cc1C ZINC000602674071 349667463 /nfs/dbraw/zinc/66/74/63/349667463.db2.gz DOIPZZBTMWSTGG-VIFPVBQESA-N 1 2 240.278 1.654 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000602683931 349675433 /nfs/dbraw/zinc/67/54/33/349675433.db2.gz YFIRIYUULSLKQV-KXUCPTDWSA-N 1 2 231.361 1.810 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000602682843 349675541 /nfs/dbraw/zinc/67/55/41/349675541.db2.gz SIYBRCQKPPPJTD-WOPDTQHZSA-N 1 2 243.347 1.874 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1(C)CC1 ZINC000234786123 342942309 /nfs/dbraw/zinc/94/23/09/342942309.db2.gz UWXLGFNBMOVTPM-UHFFFAOYSA-N 1 2 208.265 1.279 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1(C)CC1 ZINC000234786123 342942312 /nfs/dbraw/zinc/94/23/12/342942312.db2.gz UWXLGFNBMOVTPM-UHFFFAOYSA-N 1 2 208.265 1.279 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCO[C@H](C)C1 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/nfs/dbraw/zinc/19/24/82/343192482.db2.gz ZZQVPKZCNQGIGW-SSDOTTSWSA-N 1 2 240.332 1.375 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000134806405 343195242 /nfs/dbraw/zinc/19/52/42/343195242.db2.gz QYFPMCSIUIHZGN-RKDXNWHRSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H](C)C[C@@H](C)C1 ZINC000134806405 343195244 /nfs/dbraw/zinc/19/52/44/343195244.db2.gz QYFPMCSIUIHZGN-RKDXNWHRSA-N 1 2 236.319 1.550 20 0 BDADLO CCC(C)(C)N(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000625299067 343226613 /nfs/dbraw/zinc/22/66/13/343226613.db2.gz DCWSBMKDTJKWNW-UHFFFAOYSA-N 1 2 224.308 1.740 20 0 BDADLO CCC(C)(C)N(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000625299067 343226614 /nfs/dbraw/zinc/22/66/14/343226614.db2.gz DCWSBMKDTJKWNW-UHFFFAOYSA-N 1 2 224.308 1.740 20 0 BDADLO COc1cncc(C[N@H+]2CC=CCC2)n1 ZINC000625310481 343232192 /nfs/dbraw/zinc/23/21/92/343232192.db2.gz UCGHNEFSUSFMJM-UHFFFAOYSA-N 1 2 205.261 1.247 20 0 BDADLO COc1cncc(C[N@@H+]2CC=CCC2)n1 ZINC000625310481 343232195 /nfs/dbraw/zinc/23/21/95/343232195.db2.gz UCGHNEFSUSFMJM-UHFFFAOYSA-N 1 2 205.261 1.247 20 0 BDADLO C/C=C/c1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030588 362145503 /nfs/dbraw/zinc/14/55/03/362145503.db2.gz BHDLQWRHXMXJNH-ONEGZZNKSA-N 1 2 230.271 1.763 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)C(F)F ZINC000641022253 362138631 /nfs/dbraw/zinc/13/86/31/362138631.db2.gz AGHYOOOBMIYDBL-HTQZYQBOSA-N 1 2 246.261 1.224 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121463597 343267160 /nfs/dbraw/zinc/26/71/60/343267160.db2.gz YOVNZXHXUPLOPD-AAEUAGOBSA-N 1 2 235.331 1.515 20 0 BDADLO CCCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000609075394 343279670 /nfs/dbraw/zinc/27/96/70/343279670.db2.gz XWRKQVBJWGBUQC-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CCCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000609075394 343279672 /nfs/dbraw/zinc/27/96/72/343279672.db2.gz XWRKQVBJWGBUQC-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CCO[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000625371546 343359373 /nfs/dbraw/zinc/35/93/73/343359373.db2.gz PMHOPAVEZFICDS-NSHDSACASA-N 1 2 239.319 1.429 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1CC1)c1ccc(OC)cc1 ZINC000037967906 343363055 /nfs/dbraw/zinc/36/30/55/343363055.db2.gz KQCWGSODOLZZBD-ZDUSSCGKSA-N 1 2 249.310 1.909 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@](C)(O)C1CC1 ZINC000348834357 136301343 /nfs/dbraw/zinc/30/13/43/136301343.db2.gz ONTSTKQNLWNLNS-CYBMUJFWSA-N 1 2 249.314 1.094 20 0 BDADLO CC/C=C/CCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641066328 362174889 /nfs/dbraw/zinc/17/48/89/362174889.db2.gz YUDYQJYCXRXRHC-AAOUONPWSA-N 1 2 236.319 1.295 20 0 BDADLO CSCC[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000151131724 343347736 /nfs/dbraw/zinc/34/77/36/343347736.db2.gz HINTZFREQZVWQW-UHFFFAOYSA-N 1 2 227.333 1.742 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000151131724 343347737 /nfs/dbraw/zinc/34/77/37/343347737.db2.gz HINTZFREQZVWQW-UHFFFAOYSA-N 1 2 227.333 1.742 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCCS2)c[nH+]1 ZINC000335672779 136317091 /nfs/dbraw/zinc/31/70/91/136317091.db2.gz RMHCYYSMKAENCK-VIFPVBQESA-N 1 2 239.344 1.734 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C(=O)c1ccc(F)cc1 ZINC000349108812 136323774 /nfs/dbraw/zinc/32/37/74/136323774.db2.gz LTTRKIFEICPJDK-UHFFFAOYSA-N 1 2 247.229 1.048 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C(=O)c1ccc(F)cc1 ZINC000349108812 136323775 /nfs/dbraw/zinc/32/37/75/136323775.db2.gz LTTRKIFEICPJDK-UHFFFAOYSA-N 1 2 247.229 1.048 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn(C)nn1 ZINC000335689383 136324030 /nfs/dbraw/zinc/32/40/30/136324030.db2.gz OSTYQWBYWGRNQQ-CBAPKCEASA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn(C)nn1 ZINC000335689383 136324031 /nfs/dbraw/zinc/32/40/31/136324031.db2.gz OSTYQWBYWGRNQQ-CBAPKCEASA-N 1 2 248.252 1.588 20 0 BDADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000041787117 343424057 /nfs/dbraw/zinc/42/40/57/343424057.db2.gz JSUGCHBRKGTVLP-UHFFFAOYSA-N 1 2 245.326 1.708 20 0 BDADLO CC[C@@H](C)CCC(=O)NCC[NH+]1CCOCC1 ZINC000349037757 136320221 /nfs/dbraw/zinc/32/02/21/136320221.db2.gz AYOVHDMAMZYADE-GFCCVEGCSA-N 1 2 242.363 1.261 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000349422888 136345625 /nfs/dbraw/zinc/34/56/25/136345625.db2.gz WCZCMKREHVIMJJ-MRVPVSSYSA-N 1 2 237.225 1.073 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000349422888 136345626 /nfs/dbraw/zinc/34/56/26/136345626.db2.gz WCZCMKREHVIMJJ-MRVPVSSYSA-N 1 2 237.225 1.073 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]2C[C@@H]2C)cc[nH+]1 ZINC000335724025 136346633 /nfs/dbraw/zinc/34/66/33/136346633.db2.gz KRDYZYUMLYZHMY-WPRPVWTQSA-N 1 2 204.273 1.797 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(O)cc1 ZINC000335732564 136349433 /nfs/dbraw/zinc/34/94/33/136349433.db2.gz FPXVTJAJJCWUAA-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000335735133 136350093 /nfs/dbraw/zinc/35/00/93/136350093.db2.gz OJQDZLFEVQXBRV-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000335735133 136350094 /nfs/dbraw/zinc/35/00/94/136350094.db2.gz OJQDZLFEVQXBRV-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CCC(CO)CC1 ZINC000335735800 136350105 /nfs/dbraw/zinc/35/01/05/136350105.db2.gz LSANCTCDWOYYQR-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccnn1C ZINC000335681460 136328876 /nfs/dbraw/zinc/32/88/76/136328876.db2.gz FCWGVNZOOUGPDS-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccnn1C ZINC000335681460 136328877 /nfs/dbraw/zinc/32/88/77/136328877.db2.gz FCWGVNZOOUGPDS-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO COCc1cnc(C[N@H+](C)[C@H](C)CO)s1 ZINC000349294846 136337980 /nfs/dbraw/zinc/33/79/80/136337980.db2.gz ILTGADDYBSEQGV-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1cnc(C[N@@H+](C)[C@H](C)CO)s1 ZINC000349294846 136337981 /nfs/dbraw/zinc/33/79/81/136337981.db2.gz ILTGADDYBSEQGV-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367087762 136341099 /nfs/dbraw/zinc/34/10/99/136341099.db2.gz ZESCKVWDUWSUCA-WXHSDQCUSA-N 1 2 245.326 1.211 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000335896156 136359120 /nfs/dbraw/zinc/35/91/20/136359120.db2.gz VDSLYSSIEQZKFK-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(=O)c1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641090149 362221092 /nfs/dbraw/zinc/22/10/92/362221092.db2.gz VICIXGRKEUQARU-UHFFFAOYSA-N 1 2 216.244 1.232 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000367109610 136361949 /nfs/dbraw/zinc/36/19/49/136361949.db2.gz UYUHFWOYUGLFMV-LLVKDONJSA-N 1 2 240.347 1.060 20 0 BDADLO C/C=C\c1cn(CCn2cc[nH+]c2)nn1 ZINC000641123121 362230669 /nfs/dbraw/zinc/23/06/69/362230669.db2.gz FQPNNMMJIBXXRK-IHWYPQMZSA-N 1 2 203.249 1.208 20 0 BDADLO C[N@@H+](Cc1ccoc1)C[C@H](O)C(F)(F)F ZINC000082680177 343459303 /nfs/dbraw/zinc/45/93/03/343459303.db2.gz ADCBSQHCODPPFW-QMMMGPOBSA-N 1 2 223.194 1.635 20 0 BDADLO C[N@H+](Cc1ccoc1)C[C@H](O)C(F)(F)F ZINC000082680177 343459304 /nfs/dbraw/zinc/45/93/04/343459304.db2.gz ADCBSQHCODPPFW-QMMMGPOBSA-N 1 2 223.194 1.635 20 0 BDADLO CCN(CC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043476061 343474631 /nfs/dbraw/zinc/47/46/31/343474631.db2.gz XYEPWXPKJXPPIA-UHFFFAOYSA-N 1 2 246.314 1.886 20 0 BDADLO Cc1cc(C[NH+]2CCC3(CC2)OCCO3)no1 ZINC000045749213 343533684 /nfs/dbraw/zinc/53/36/84/343533684.db2.gz CHSSVXKLYGFFHL-UHFFFAOYSA-N 1 2 238.287 1.322 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000176435691 365755955 /nfs/dbraw/zinc/75/59/55/365755955.db2.gz FXWFFSUPUGMZFV-VIFPVBQESA-N 1 2 227.329 1.784 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000176435691 365755961 /nfs/dbraw/zinc/75/59/61/365755961.db2.gz FXWFFSUPUGMZFV-VIFPVBQESA-N 1 2 227.329 1.784 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000048142514 343571820 /nfs/dbraw/zinc/57/18/20/343571820.db2.gz ZAMSVGOGSFZQMO-VHSXEESVSA-N 1 2 225.288 1.752 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](Cc1cn[nH]c1)C1CCC1 ZINC000616739580 343556671 /nfs/dbraw/zinc/55/66/71/343556671.db2.gz OZUQNWNQOVKLAI-SECBINFHSA-N 1 2 237.303 1.326 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](Cc1cn[nH]c1)C1CCC1 ZINC000616739580 343556672 /nfs/dbraw/zinc/55/66/72/343556672.db2.gz OZUQNWNQOVKLAI-SECBINFHSA-N 1 2 237.303 1.326 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047577851 343563434 /nfs/dbraw/zinc/56/34/34/343563434.db2.gz DZFXJHKMUCTMKB-ZJUUUORDSA-N 1 2 224.308 1.369 20 0 BDADLO Cc1ccccc1OCC(=O)NCc1[nH]cc[nH+]1 ZINC000070991627 343582517 /nfs/dbraw/zinc/58/25/17/343582517.db2.gz AVKLNYVMYXMSTD-UHFFFAOYSA-N 1 2 245.282 1.413 20 0 BDADLO CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048807492 343588318 /nfs/dbraw/zinc/58/83/18/343588318.db2.gz WHCKRGJNHRSYJO-UHFFFAOYSA-N 1 2 234.299 1.477 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000049068765 343592798 /nfs/dbraw/zinc/59/27/98/343592798.db2.gz SENGZJRYOAZXFF-NTZNESFSSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000049068765 343592800 /nfs/dbraw/zinc/59/28/00/343592800.db2.gz SENGZJRYOAZXFF-NTZNESFSSA-N 1 2 248.326 1.322 20 0 BDADLO CC(C)c1noc(C[N@H+](CCCO)C2CC2)n1 ZINC000379586988 343580926 /nfs/dbraw/zinc/58/09/26/343580926.db2.gz LGBOITXXEPZTSM-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1noc(C[N@@H+](CCCO)C2CC2)n1 ZINC000379586988 343580928 /nfs/dbraw/zinc/58/09/28/343580928.db2.gz LGBOITXXEPZTSM-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[N@H+](CCO)Cc1nc(-c2ccccc2)no1 ZINC000049633883 343604913 /nfs/dbraw/zinc/60/49/13/343604913.db2.gz WYTDMQHEXMNPDV-UHFFFAOYSA-N 1 2 233.271 1.161 20 0 BDADLO C[N@@H+](CCO)Cc1nc(-c2ccccc2)no1 ZINC000049633883 343604914 /nfs/dbraw/zinc/60/49/14/343604914.db2.gz WYTDMQHEXMNPDV-UHFFFAOYSA-N 1 2 233.271 1.161 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cscn1 ZINC000622745345 343605936 /nfs/dbraw/zinc/60/59/36/343605936.db2.gz IGEHOCPHEXNWNH-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cscn1 ZINC000622745345 343605937 /nfs/dbraw/zinc/60/59/37/343605937.db2.gz IGEHOCPHEXNWNH-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCCO1)C(C)(C)C ZINC000119109168 343641944 /nfs/dbraw/zinc/64/19/44/343641944.db2.gz ZJCRGTUTUYVDRK-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)OC(C)C ZINC000602943814 349825699 /nfs/dbraw/zinc/82/56/99/349825699.db2.gz REQDQMIULATTHL-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)OC(C)C ZINC000602943814 349825700 /nfs/dbraw/zinc/82/57/00/349825700.db2.gz REQDQMIULATTHL-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO Cc1cc(CNC(=O)C[C@@H]2CCCO2)cc(C)[nH+]1 ZINC000421573771 192364143 /nfs/dbraw/zinc/36/41/43/192364143.db2.gz CAADCZZAJHYEON-ZDUSSCGKSA-N 1 2 248.326 1.884 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000678265957 488230390 /nfs/dbraw/zinc/23/03/90/488230390.db2.gz GJGBJTMXOFXYBT-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000678265957 488230393 /nfs/dbraw/zinc/23/03/93/488230393.db2.gz GJGBJTMXOFXYBT-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccsc1 ZINC000088094367 343705791 /nfs/dbraw/zinc/70/57/91/343705791.db2.gz XIIYVKWCFKVNIF-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccsc1 ZINC000088094367 343705792 /nfs/dbraw/zinc/70/57/92/343705792.db2.gz XIIYVKWCFKVNIF-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1cc(C3CC3)no1)C2 ZINC000625434141 343735313 /nfs/dbraw/zinc/73/53/13/343735313.db2.gz FVZKWEZAIMAAFJ-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C(=O)OC ZINC000206902450 343721658 /nfs/dbraw/zinc/72/16/58/343721658.db2.gz RZNMMCDSJLKNHZ-JGVFFNPUSA-N 1 2 221.247 1.715 20 0 BDADLO CS[C@@H](CO)[C@@H](C)Nc1cc[nH+]cc1F ZINC000380301809 343722836 /nfs/dbraw/zinc/72/28/36/343722836.db2.gz DWCIYLVPZGLITA-XCBNKYQSSA-N 1 2 230.308 1.167 20 0 BDADLO CS[C@H](CO)[C@@H](C)Nc1cc[nH+]cc1F ZINC000380301790 343723012 /nfs/dbraw/zinc/72/30/12/343723012.db2.gz DWCIYLVPZGLITA-GMSGAONNSA-N 1 2 230.308 1.167 20 0 BDADLO CCCNC(=O)C[N@H+](C)Cc1ccsc1 ZINC000061800464 343729228 /nfs/dbraw/zinc/72/92/28/343729228.db2.gz GDUPAPYKDZKGKI-UHFFFAOYSA-N 1 2 226.345 1.706 20 0 BDADLO CCCNC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000061800464 343729231 /nfs/dbraw/zinc/72/92/31/343729231.db2.gz GDUPAPYKDZKGKI-UHFFFAOYSA-N 1 2 226.345 1.706 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CSC2(C)C)C1 ZINC000584182397 343770947 /nfs/dbraw/zinc/77/09/47/343770947.db2.gz ZLORZMWVFICSRW-VIFPVBQESA-N 1 2 242.388 1.338 20 0 BDADLO C/C=C/CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000624389330 343749318 /nfs/dbraw/zinc/74/93/18/343749318.db2.gz XERJUNGQVIHRAT-XNPJLODASA-N 1 2 222.292 1.356 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000577060209 365797849 /nfs/dbraw/zinc/79/78/49/365797849.db2.gz AMMXFECGMMWRLO-JQWIXIFHSA-N 1 2 248.330 1.265 20 0 BDADLO COc1ccc[nH+]c1N1CCc2nccnc2C1 ZINC000624410541 343763366 /nfs/dbraw/zinc/76/33/66/343763366.db2.gz XGNYPYQNDKJNGF-UHFFFAOYSA-N 1 2 242.282 1.443 20 0 BDADLO CN(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492811087 529850800 /nfs/dbraw/zinc/85/08/00/529850800.db2.gz JVANAFKPLWKRAL-NSCUHMNNSA-N 1 2 215.203 1.146 20 0 BDADLO CCNC(=O)CN(C)Cc1[nH+]ccn1C(C)C ZINC000624482201 343906652 /nfs/dbraw/zinc/90/66/52/343906652.db2.gz JPTIUBQPZCATFL-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CSC[C@@H]1C ZINC000672222138 488245984 /nfs/dbraw/zinc/24/59/84/488245984.db2.gz AQKOJDFBALUTLU-OIBJUYFYSA-N 1 2 239.344 1.128 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CSC[C@@H]1C ZINC000672222138 488245983 /nfs/dbraw/zinc/24/59/83/488245983.db2.gz AQKOJDFBALUTLU-OIBJUYFYSA-N 1 2 239.344 1.128 20 0 BDADLO C[C@@H]1CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000641239793 362294025 /nfs/dbraw/zinc/29/40/25/362294025.db2.gz BZEPQXVZLXWDHO-SECBINFHSA-N 1 2 215.256 1.569 20 0 BDADLO C[N@H+](CC(=O)NC1CC1)Cc1cnc(C2CC2)o1 ZINC000628122362 343974308 /nfs/dbraw/zinc/97/43/08/343974308.db2.gz UBKLBVOZRYUPMX-UHFFFAOYSA-N 1 2 249.314 1.262 20 0 BDADLO C[N@@H+](CC(=O)NC1CC1)Cc1cnc(C2CC2)o1 ZINC000628122362 343974310 /nfs/dbraw/zinc/97/43/10/343974310.db2.gz UBKLBVOZRYUPMX-UHFFFAOYSA-N 1 2 249.314 1.262 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1Cc1[nH]cc(C)[nH+]1 ZINC000628119583 343968211 /nfs/dbraw/zinc/96/82/11/343968211.db2.gz AWGKEUMWHOGICH-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@H]1C)n1cc[nH+]c1 ZINC000641246756 362317149 /nfs/dbraw/zinc/31/71/49/362317149.db2.gz IYPBJSHXAONGBQ-VHSXEESVSA-N 1 2 207.277 1.455 20 0 BDADLO COCCOCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727026 344058512 /nfs/dbraw/zinc/05/85/12/344058512.db2.gz OVJVWXSBFTZXEL-UHFFFAOYSA-N 1 2 237.299 1.371 20 0 BDADLO COCCOCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727026 344058514 /nfs/dbraw/zinc/05/85/14/344058514.db2.gz OVJVWXSBFTZXEL-UHFFFAOYSA-N 1 2 237.299 1.371 20 0 BDADLO CCO[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000625742505 344061627 /nfs/dbraw/zinc/06/16/27/344061627.db2.gz NIMLXHYRPJYOGM-SNVBAGLBSA-N 1 2 225.292 1.087 20 0 BDADLO CCO[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000625742505 344061629 /nfs/dbraw/zinc/06/16/29/344061629.db2.gz NIMLXHYRPJYOGM-SNVBAGLBSA-N 1 2 225.292 1.087 20 0 BDADLO Cc1cncnc1Nc1ccc(N(C)C)[nH+]c1 ZINC000641275306 362341300 /nfs/dbraw/zinc/34/13/00/362341300.db2.gz NAIJPLYCERMNCY-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)Cc1ccc(F)cc1 ZINC000573358438 344109178 /nfs/dbraw/zinc/10/91/78/344109178.db2.gz OPWUJLNBYQVTIT-ZDUSSCGKSA-N 1 2 249.289 1.242 20 0 BDADLO Cc1cncnc1NCc1ccc[nH+]c1N(C)C ZINC000641287884 362346087 /nfs/dbraw/zinc/34/60/87/362346087.db2.gz APANDBAGARCTDR-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)CC1(C)COC1 ZINC000625793463 344076995 /nfs/dbraw/zinc/07/69/95/344076995.db2.gz WRESNTZEBQAZTH-UHFFFAOYSA-N 1 2 247.245 1.476 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)CC1(C)COC1 ZINC000625793463 344076997 /nfs/dbraw/zinc/07/69/97/344076997.db2.gz WRESNTZEBQAZTH-UHFFFAOYSA-N 1 2 247.245 1.476 20 0 BDADLO COC(=O)c1ccnc(NCc2[nH+]ccn2C)c1 ZINC000234654169 344171914 /nfs/dbraw/zinc/17/19/14/344171914.db2.gz PPIHNGIYGCXRNV-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO CC[C@@H](C)Cc1noc(Cn2cc[nH+]c2)n1 ZINC000632248544 344147969 /nfs/dbraw/zinc/14/79/69/344147969.db2.gz UBKLSRGUDSYFEO-SECBINFHSA-N 1 2 220.276 1.903 20 0 BDADLO CN1CCCC[C@H]([N@H+](C)Cc2ccon2)C1=O ZINC000634740062 344162302 /nfs/dbraw/zinc/16/23/02/344162302.db2.gz MZLRKOPCFOIJKA-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CN1CCCC[C@H]([N@@H+](C)Cc2ccon2)C1=O ZINC000634740062 344162305 /nfs/dbraw/zinc/16/23/05/344162305.db2.gz MZLRKOPCFOIJKA-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000572779615 323068980 /nfs/dbraw/zinc/06/89/80/323068980.db2.gz PUYJYXFRYHDXOD-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000572779615 323068981 /nfs/dbraw/zinc/06/89/81/323068981.db2.gz PUYJYXFRYHDXOD-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO Cc1cc(N[C@@H](C)CC[S@](C)=O)nc[nH+]1 ZINC000130259063 344219521 /nfs/dbraw/zinc/21/95/21/344219521.db2.gz JZRPWWNRHWOGPO-VXJOIVPMSA-N 1 2 227.333 1.354 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)CCCO1 ZINC000641338507 362368448 /nfs/dbraw/zinc/36/84/48/362368448.db2.gz KBBAMFMGUSXCIE-SECBINFHSA-N 1 2 210.252 1.836 20 0 BDADLO CO[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641338872 362369068 /nfs/dbraw/zinc/36/90/68/362369068.db2.gz NOKOUVKQGJZOIJ-SECBINFHSA-N 1 2 210.252 1.836 20 0 BDADLO CC(C)c1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000408215616 344251979 /nfs/dbraw/zinc/25/19/79/344251979.db2.gz QULDQJTXSDLOOQ-UHFFFAOYSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000408215616 344251981 /nfs/dbraw/zinc/25/19/81/344251981.db2.gz QULDQJTXSDLOOQ-UHFFFAOYSA-N 1 2 225.292 1.148 20 0 BDADLO Cc1ncsc1CNc1cc(CO)cc[nH+]1 ZINC000641346699 362374082 /nfs/dbraw/zinc/37/40/82/362374082.db2.gz NXEBZHGKAOKPLD-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccon1 ZINC000622082572 344289648 /nfs/dbraw/zinc/28/96/48/344289648.db2.gz PRQWFPAVICBDDI-MRVPVSSYSA-N 1 2 234.259 1.382 20 0 BDADLO CCc1cc(NC[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000084234090 344365207 /nfs/dbraw/zinc/36/52/07/344365207.db2.gz FLVPCGTYDCCOQU-KOLCDFICSA-N 1 2 221.304 1.612 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1[nH+]ccn1C ZINC000620592287 344325690 /nfs/dbraw/zinc/32/56/90/344325690.db2.gz OEYALYQYAXYHAY-CIUDSAMLSA-N 1 2 207.277 1.253 20 0 BDADLO Cc1ccc2[nH+]c(CSCCC(N)=O)cn2c1 ZINC000600608624 344334827 /nfs/dbraw/zinc/33/48/27/344334827.db2.gz DEVIHCNFYLHLHK-UHFFFAOYSA-N 1 2 249.339 1.751 20 0 BDADLO CCC[C@@H](C[NH2+][C@H](C(=O)OC)C1CC1)OCC ZINC000600605419 344339304 /nfs/dbraw/zinc/33/93/04/344339304.db2.gz NQYZLEPZZWGIOZ-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)C1CC1)c1[nH+]ccn1C ZINC000620603164 344352745 /nfs/dbraw/zinc/35/27/45/344352745.db2.gz ICXCVOSFLOZWPD-RKDXNWHRSA-N 1 2 221.304 1.643 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1[nH+]ccn1C ZINC000620608995 344359299 /nfs/dbraw/zinc/35/92/99/344359299.db2.gz RBJCNDDMUHUANW-IEBDPFPHSA-N 1 2 233.315 1.643 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634778995 344307213 /nfs/dbraw/zinc/30/72/13/344307213.db2.gz XSVVZBAXJNPGKK-PHIMTYICSA-N 1 2 249.314 1.415 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634778995 344307216 /nfs/dbraw/zinc/30/72/16/344307216.db2.gz XSVVZBAXJNPGKK-PHIMTYICSA-N 1 2 249.314 1.415 20 0 BDADLO C[C@@H](CO)[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641391076 362389410 /nfs/dbraw/zinc/38/94/10/362389410.db2.gz MAJULZPDTZLBST-DTWKUNHWSA-N 1 2 210.277 1.003 20 0 BDADLO CC1(C)[C@H](Nc2cc(CO)cc[nH+]2)[C@H]2CCO[C@@H]21 ZINC000641390847 362389642 /nfs/dbraw/zinc/38/96/42/362389642.db2.gz IWGKGFXDZJNBBP-RTXFEEFZSA-N 1 2 248.326 1.799 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CC=CCC1 ZINC000641401980 362396021 /nfs/dbraw/zinc/39/60/21/362396021.db2.gz DPEHXMIRCDBZAV-SNVBAGLBSA-N 1 2 246.314 1.239 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CC=CCC1 ZINC000641401980 362396028 /nfs/dbraw/zinc/39/60/28/362396028.db2.gz DPEHXMIRCDBZAV-SNVBAGLBSA-N 1 2 246.314 1.239 20 0 BDADLO CC(C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042511706 344442234 /nfs/dbraw/zinc/44/22/34/344442234.db2.gz KYYDTMIQNLKSQJ-SNVBAGLBSA-N 1 2 209.293 1.434 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1cccc(F)c1F ZINC000389331342 344460224 /nfs/dbraw/zinc/46/02/24/344460224.db2.gz PTLBGMXPQMTKOT-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1cc2ccccc2o1 ZINC000389337620 344460637 /nfs/dbraw/zinc/46/06/37/344460637.db2.gz ZCZONCPRLFPCSO-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CSCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000120069620 344535180 /nfs/dbraw/zinc/53/51/80/344535180.db2.gz SWRKJGVCCFCXNI-UHFFFAOYSA-N 1 2 225.317 1.875 20 0 BDADLO CCC[C@@H](CCO)CNc1cc(CO)cc[nH+]1 ZINC000641407171 362398759 /nfs/dbraw/zinc/39/87/59/362398759.db2.gz XPBXKYGKNQRVHW-NSHDSACASA-N 1 2 238.331 1.785 20 0 BDADLO CCn1c(C)nnc1SCc1ccc[nH+]c1N ZINC000641448407 362424802 /nfs/dbraw/zinc/42/48/02/362424802.db2.gz AHNJVAGPRRJIGD-UHFFFAOYSA-N 1 2 249.343 1.876 20 0 BDADLO C[C@@H](O)[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641452994 362427982 /nfs/dbraw/zinc/42/79/82/362427982.db2.gz NUEHYDYAWQKHCQ-ZYHUDNBSSA-N 1 2 236.315 1.171 20 0 BDADLO CC(C)OC(=O)CSCc1cn(C)c[nH+]1 ZINC000603319121 349913820 /nfs/dbraw/zinc/91/38/20/349913820.db2.gz KYBMQUIBWLHRCR-UHFFFAOYSA-N 1 2 228.317 1.605 20 0 BDADLO C[C@@H](O)C[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641458690 362434318 /nfs/dbraw/zinc/43/43/18/362434318.db2.gz HDWRMMWWJMLAKO-NXEZZACHSA-N 1 2 224.279 1.960 20 0 BDADLO C[C@H](O)C[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000641458691 362434593 /nfs/dbraw/zinc/43/45/93/362434593.db2.gz HDWRMMWWJMLAKO-UWVGGRQHSA-N 1 2 224.279 1.960 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC=CCC1 ZINC000577768881 344596883 /nfs/dbraw/zinc/59/68/83/344596883.db2.gz VDZKZZAYPVYYGP-SECBINFHSA-N 1 2 234.303 1.258 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC=CCC1 ZINC000577768881 344596885 /nfs/dbraw/zinc/59/68/85/344596885.db2.gz VDZKZZAYPVYYGP-SECBINFHSA-N 1 2 234.303 1.258 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C/c1ccccc1 ZINC000048584141 344588902 /nfs/dbraw/zinc/58/89/02/344588902.db2.gz GWTGBIQQMBPSSG-RMKNXTFCSA-N 1 2 219.284 1.805 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C/c1ccccc1 ZINC000048584141 344588905 /nfs/dbraw/zinc/58/89/05/344588905.db2.gz GWTGBIQQMBPSSG-RMKNXTFCSA-N 1 2 219.284 1.805 20 0 BDADLO CO[C@H]1CCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC000641481282 362448468 /nfs/dbraw/zinc/44/84/68/362448468.db2.gz WJOXCXFEKDKVCD-NEPJUHHUSA-N 1 2 236.315 1.801 20 0 BDADLO C[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641476123 362449199 /nfs/dbraw/zinc/44/91/99/362449199.db2.gz XOABDDSCZDIVEZ-GXSJLCMTSA-N 1 2 222.288 1.553 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)[C@H]1CCCOC1 ZINC000641484615 362452493 /nfs/dbraw/zinc/45/24/93/362452493.db2.gz VXYLDVKMVXTTGX-UWVGGRQHSA-N 1 2 224.279 1.870 20 0 BDADLO OC[C@@H](CC1CCC1)Nc1cc[nH+]cc1F ZINC000641545230 362492294 /nfs/dbraw/zinc/49/22/94/362492294.db2.gz BVXOVUOJNTXQOB-SNVBAGLBSA-N 1 2 224.279 1.606 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCc1[nH]c[nH+]c1C ZINC000625966512 344614584 /nfs/dbraw/zinc/61/45/84/344614584.db2.gz HPWRXODDFIFQEX-LLVKDONJSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1cncnc1N(C)Cc1ccc(N)[nH+]c1 ZINC000641493487 362459854 /nfs/dbraw/zinc/45/98/54/362459854.db2.gz HUTSZIVMDOHSPD-UHFFFAOYSA-N 1 2 229.287 1.229 20 0 BDADLO Fc1c[nH+]ccc1N1CCO[C@]2(CCOC2)C1 ZINC000641496566 362461608 /nfs/dbraw/zinc/46/16/08/362461608.db2.gz PBXPJHONQGFRAO-GFCCVEGCSA-N 1 2 238.262 1.216 20 0 BDADLO OCc1cc[nH+]c(NCc2nnc(C3CC3)o2)c1 ZINC000641500354 362462940 /nfs/dbraw/zinc/46/29/40/362462940.db2.gz FUPYYFXVXYODHG-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO OCC[C@@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641503836 362466199 /nfs/dbraw/zinc/46/61/99/362466199.db2.gz IAFGADYVMHVHCY-NWDGAFQWSA-N 1 2 236.315 1.537 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cnccn1 ZINC000049236025 344600875 /nfs/dbraw/zinc/60/08/75/344600875.db2.gz YQJPNDFPPNWLDO-SECBINFHSA-N 1 2 203.249 1.174 20 0 BDADLO OC[C@@H](CC(F)F)Nc1cc[nH+]cc1F ZINC000641536553 362486481 /nfs/dbraw/zinc/48/64/81/362486481.db2.gz ONKTVAAGXOLCCD-ZCFIWIBFSA-N 1 2 220.194 1.071 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@@H](CCF)C1 ZINC000626002282 344662810 /nfs/dbraw/zinc/66/28/10/344662810.db2.gz KCHDVEQMDTXIEC-NSHDSACASA-N 1 2 241.310 1.463 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H](CCF)C1 ZINC000626002281 344662994 /nfs/dbraw/zinc/66/29/94/344662994.db2.gz KCHDVEQMDTXIEC-LLVKDONJSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005477 344668571 /nfs/dbraw/zinc/66/85/71/344668571.db2.gz DAICGHUEQRFBGT-LLVKDONJSA-N 1 2 228.267 1.543 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005477 344668573 /nfs/dbraw/zinc/66/85/73/344668573.db2.gz DAICGHUEQRFBGT-LLVKDONJSA-N 1 2 228.267 1.543 20 0 BDADLO CSCC[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC000152586864 344640385 /nfs/dbraw/zinc/64/03/85/344640385.db2.gz AISWHOIBYJILFD-UHFFFAOYSA-N 1 2 243.332 1.216 20 0 BDADLO CSCC[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC000152586864 344640386 /nfs/dbraw/zinc/64/03/86/344640386.db2.gz AISWHOIBYJILFD-UHFFFAOYSA-N 1 2 243.332 1.216 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](C2CC2)C1 ZINC000290789137 537855225 /nfs/dbraw/zinc/85/52/25/537855225.db2.gz DKXCMDWJYHJSAI-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](C2CC2)C1 ZINC000290789137 537855232 /nfs/dbraw/zinc/85/52/32/537855232.db2.gz DKXCMDWJYHJSAI-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)no1 ZINC000152827433 344697370 /nfs/dbraw/zinc/69/73/70/344697370.db2.gz HUGUREYWBUWFMJ-GHMZBOCLSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)no1 ZINC000152827433 344697372 /nfs/dbraw/zinc/69/73/72/344697372.db2.gz HUGUREYWBUWFMJ-GHMZBOCLSA-N 1 2 237.303 1.379 20 0 BDADLO CC1=C[C@@H](C)CN(c2cc(CO)cc[nH+]2)C1 ZINC000641547605 362494865 /nfs/dbraw/zinc/49/48/65/362494865.db2.gz CNXJZEXRRSPQCI-SNVBAGLBSA-N 1 2 218.300 1.976 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\C1CCOCC1 ZINC000492856737 530025876 /nfs/dbraw/zinc/02/58/76/530025876.db2.gz WPPZKRIUTLRUSX-IHWYPQMZSA-N 1 2 249.314 1.351 20 0 BDADLO CSCCC[N@H+](C)Cc1nnc(C)n1C ZINC000075714936 344777323 /nfs/dbraw/zinc/77/73/23/344777323.db2.gz MPXQQFGPFDCGNJ-UHFFFAOYSA-N 1 2 228.365 1.308 20 0 BDADLO CSCCC[N@@H+](C)Cc1nnc(C)n1C ZINC000075714936 344777324 /nfs/dbraw/zinc/77/73/24/344777324.db2.gz MPXQQFGPFDCGNJ-UHFFFAOYSA-N 1 2 228.365 1.308 20 0 BDADLO Cc1cnc(C[N@H+](CCO)Cc2ccccc2)o1 ZINC000075713251 344784791 /nfs/dbraw/zinc/78/47/91/344784791.db2.gz HGXFASIENYIQSN-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO Cc1cnc(C[N@@H+](CCO)Cc2ccccc2)o1 ZINC000075713251 344784795 /nfs/dbraw/zinc/78/47/95/344784795.db2.gz HGXFASIENYIQSN-UHFFFAOYSA-N 1 2 246.310 1.978 20 0 BDADLO CCCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075711229 344785135 /nfs/dbraw/zinc/78/51/35/344785135.db2.gz PQLJMNOUPAMHGR-UHFFFAOYSA-N 1 2 249.236 1.862 20 0 BDADLO Cc1nnc(C[NH+]2C[C@@H](C)S[C@H](C)C2)o1 ZINC000075891547 344787391 /nfs/dbraw/zinc/78/73/91/344787391.db2.gz LVTZWNZSTOTFER-HTQZYQBOSA-N 1 2 227.333 1.704 20 0 BDADLO CCn1cc(CC[N@@H+]2Cc3cccnc3C2)cn1 ZINC000574394946 344834957 /nfs/dbraw/zinc/83/49/57/344834957.db2.gz ZGRKBFDQNPOOIB-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1cc(CC[N@H+]2Cc3cccnc3C2)cn1 ZINC000574394946 344834960 /nfs/dbraw/zinc/83/49/60/344834960.db2.gz ZGRKBFDQNPOOIB-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000153303293 344847174 /nfs/dbraw/zinc/84/71/74/344847174.db2.gz CBBAVFPOZVFCTE-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO Cc1c[nH]c(CN2CCC[C@H]2c2ncon2)[nH+]1 ZINC000628161070 344858269 /nfs/dbraw/zinc/85/82/69/344858269.db2.gz QRDGACOGFLUXMN-VIFPVBQESA-N 1 2 233.275 1.438 20 0 BDADLO Cc1ccc(NCc2c[nH+]cn2C)cc1C(N)=O ZINC000129460130 178765995 /nfs/dbraw/zinc/76/59/95/178765995.db2.gz XNHLCPRPNMWUJK-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO Cc1c[nH]c(C[N@H+](CCCO)C2CC2)n1 ZINC000628173808 344894555 /nfs/dbraw/zinc/89/45/55/344894555.db2.gz LUCYWQPNHNJFAN-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1c[nH]c(C[N@@H+](CCCO)C2CC2)n1 ZINC000628173808 344894559 /nfs/dbraw/zinc/89/45/59/344894559.db2.gz LUCYWQPNHNJFAN-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@H](C)[C@@H]2C)[nH+]1 ZINC000628175833 344899944 /nfs/dbraw/zinc/89/99/44/344899944.db2.gz LKOYITNEUFNUTM-UWVGGRQHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1cc[nH+]cc1Cn1nnnc1C(C)(C)C ZINC000418841708 192081236 /nfs/dbraw/zinc/08/12/36/192081236.db2.gz HJFVFHKSYSQRNW-UHFFFAOYSA-N 1 2 231.303 1.722 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@@H]2C2CC2)[nH+]c1C ZINC000628183704 344932622 /nfs/dbraw/zinc/93/26/22/344932622.db2.gz KPZGHHFGCNMEPW-GFCCVEGCSA-N 1 2 235.331 1.637 20 0 BDADLO CCN(CCCO)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628183648 344932790 /nfs/dbraw/zinc/93/27/90/344932790.db2.gz IVRCCGBIWULNTI-UHFFFAOYSA-N 1 2 211.309 1.231 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cnc(C)o2)[C@H](C)C1 ZINC000628179419 344914855 /nfs/dbraw/zinc/91/48/55/344914855.db2.gz ZHMFIJQFGAVWAC-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cnc(C)o2)[C@H](C)C1 ZINC000628179419 344914856 /nfs/dbraw/zinc/91/48/56/344914856.db2.gz ZHMFIJQFGAVWAC-SECBINFHSA-N 1 2 237.303 1.036 20 0 BDADLO COCCOCC[N@H+](C)Cc1csc(C)n1 ZINC000079403968 344963787 /nfs/dbraw/zinc/96/37/87/344963787.db2.gz BYRFFSDAEIUAHG-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO COCCOCC[N@@H+](C)Cc1csc(C)n1 ZINC000079403968 344963791 /nfs/dbraw/zinc/96/37/91/344963791.db2.gz BYRFFSDAEIUAHG-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO CCc1nc(C[N@H+](CCO)CCOC)cs1 ZINC000122638788 344967075 /nfs/dbraw/zinc/96/70/75/344967075.db2.gz YHZMFNAOWJJROL-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO CCc1nc(C[N@@H+](CCO)CCOC)cs1 ZINC000122638788 344967078 /nfs/dbraw/zinc/96/70/78/344967078.db2.gz YHZMFNAOWJJROL-UHFFFAOYSA-N 1 2 244.360 1.146 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccc[nH]2)[nH+]c1C ZINC000628188315 344940823 /nfs/dbraw/zinc/94/08/23/344940823.db2.gz WBDPZFVBLAZCOR-UHFFFAOYSA-N 1 2 218.304 1.987 20 0 BDADLO CC1(C)SC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641559586 362504592 /nfs/dbraw/zinc/50/45/92/362504592.db2.gz PIOSYEAKPPDTMV-SECBINFHSA-N 1 2 224.329 1.880 20 0 BDADLO Fc1c[nH+]ccc1NCCCOC(F)F ZINC000641557988 362503039 /nfs/dbraw/zinc/50/30/39/362503039.db2.gz PZXTZURVODBVFU-UHFFFAOYSA-N 1 2 220.194 1.684 20 0 BDADLO C[C@](CO)(Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000154293854 345023859 /nfs/dbraw/zinc/02/38/59/345023859.db2.gz BCMNXZMTDIHYQT-CYBMUJFWSA-N 1 2 233.315 1.927 20 0 BDADLO CO[C@@H](CNc1cc[nH+]cc1F)C1CC1 ZINC000641616957 362549753 /nfs/dbraw/zinc/54/97/53/362549753.db2.gz XYDRYDJNQIVWCI-NSHDSACASA-N 1 2 210.252 1.480 20 0 BDADLO CO[C@H]1COCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641617322 362549889 /nfs/dbraw/zinc/54/98/89/362549889.db2.gz FHCYMIHLKUDWPB-SKDRFNHKSA-N 1 2 240.278 1.106 20 0 BDADLO Cc1nccnc1CCNc1cc(CO)cc[nH+]1 ZINC000641614898 362550392 /nfs/dbraw/zinc/55/03/92/362550392.db2.gz CMRRQDKTQNYVBZ-UHFFFAOYSA-N 1 2 244.298 1.327 20 0 BDADLO CO[C@@H](CNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641614856 362550432 /nfs/dbraw/zinc/55/04/32/362550432.db2.gz BFLMKAVWTCBZLT-NSHDSACASA-N 1 2 222.288 1.411 20 0 BDADLO Fc1c[nH+]ccc1N1CC[C@H](n2cccn2)C1 ZINC000641620096 362551956 /nfs/dbraw/zinc/55/19/56/362551956.db2.gz CQJIUSKTNULPLN-JTQLQIEISA-N 1 2 232.262 1.869 20 0 BDADLO OC[C@@H]1CN(c2cc[nH+]cc2F)CCC1(F)F ZINC000641620134 362552026 /nfs/dbraw/zinc/55/20/26/362552026.db2.gz CWWXXBZCDNJCEW-QMMMGPOBSA-N 1 2 246.232 1.675 20 0 BDADLO Cc1cncc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000080006210 345078521 /nfs/dbraw/zinc/07/85/21/345078521.db2.gz RLGUTXVWEMKBPG-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CN(c1cc[nH+]cc1F)[C@H]1CCCOC1 ZINC000641591699 362533866 /nfs/dbraw/zinc/53/38/66/362533866.db2.gz CTVICBHFPHQUOR-VIFPVBQESA-N 1 2 210.252 1.836 20 0 BDADLO CO[C@](C)(CNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641622630 362554333 /nfs/dbraw/zinc/55/43/33/362554333.db2.gz MPXCBGYYSOBBBF-CYBMUJFWSA-N 1 2 236.315 1.801 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2cc(CO)cc[nH+]2)C1 ZINC000641592403 362534517 /nfs/dbraw/zinc/53/45/17/362534517.db2.gz LHPNCAJKZAXXBN-PHIMTYICSA-N 1 2 222.288 1.188 20 0 BDADLO CCc1nnc(CNc2cc[nH+]cc2F)s1 ZINC000641604192 362541362 /nfs/dbraw/zinc/54/13/62/362541362.db2.gz LNNZQLXZTFUFQF-UHFFFAOYSA-N 1 2 238.291 1.669 20 0 BDADLO CCNC(=O)[C@@H](Nc1cc[nH+]cc1F)C(C)C ZINC000641611185 362546396 /nfs/dbraw/zinc/54/63/96/362546396.db2.gz MBZYMYUYSMGXRI-NSHDSACASA-N 1 2 239.294 1.215 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000641646312 362572624 /nfs/dbraw/zinc/57/26/24/362572624.db2.gz QJYQUVNAVVIEOA-NEPJUHHUSA-N 1 2 234.299 1.189 20 0 BDADLO CCC(CC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155814143 345106849 /nfs/dbraw/zinc/10/68/49/345106849.db2.gz IHTPBWUMBKOATP-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO COC1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641628388 362559057 /nfs/dbraw/zinc/55/90/57/362559057.db2.gz ITXOMRIIIFSGDG-UHFFFAOYSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]cc2F)CS1 ZINC000641631323 362562757 /nfs/dbraw/zinc/56/27/57/362562757.db2.gz HXAKRVBVFFUPSG-YUMQZZPRSA-N 1 2 212.293 1.949 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CS1 ZINC000641632083 362563277 /nfs/dbraw/zinc/56/32/77/362563277.db2.gz KRDDVVQCWKWNKB-SCZZXKLOSA-N 1 2 224.329 1.880 20 0 BDADLO Cc1cc(CNc2ncncc2C)cc(C)[nH+]1 ZINC000641640011 362566250 /nfs/dbraw/zinc/56/62/50/362566250.db2.gz LEXQSCGDNQOHBH-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000634987292 345169378 /nfs/dbraw/zinc/16/93/78/345169378.db2.gz QZBCDQBKAXRTTC-GXFFZTMASA-N 1 2 232.283 1.886 20 0 BDADLO C[NH+](C)[C@H](CNCc1ccon1)c1ccco1 ZINC000634949847 345124764 /nfs/dbraw/zinc/12/47/64/345124764.db2.gz BQYNPSVMDAXQAS-LLVKDONJSA-N 1 2 235.287 1.660 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156275791 345143391 /nfs/dbraw/zinc/14/33/91/345143391.db2.gz FDDHKDGXJJBZBA-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156275791 345143392 /nfs/dbraw/zinc/14/33/92/345143392.db2.gz FDDHKDGXJJBZBA-QWRGUYRKSA-N 1 2 228.336 1.012 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156293677 345147093 /nfs/dbraw/zinc/14/70/93/345147093.db2.gz DTZVBFSPMOEPCP-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635053244 345229479 /nfs/dbraw/zinc/22/94/79/345229479.db2.gz FMNDRGFJHZPBSB-NXEZZACHSA-N 1 2 231.255 1.423 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635053244 345229483 /nfs/dbraw/zinc/22/94/83/345229483.db2.gz FMNDRGFJHZPBSB-NXEZZACHSA-N 1 2 231.255 1.423 20 0 BDADLO CCc1c[nH]c(CC(=O)NC(CC)CC)[nH+]1 ZINC000635085426 345243598 /nfs/dbraw/zinc/24/35/98/345243598.db2.gz ACMOIOAKFAYBGT-UHFFFAOYSA-N 1 2 223.320 1.819 20 0 BDADLO CN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635111811 345248985 /nfs/dbraw/zinc/24/89/85/345248985.db2.gz PQYVGMFFAMVVOP-GHMZBOCLSA-N 1 2 245.282 1.765 20 0 BDADLO CN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635111811 345248988 /nfs/dbraw/zinc/24/89/88/345248988.db2.gz PQYVGMFFAMVVOP-GHMZBOCLSA-N 1 2 245.282 1.765 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2c(C)n[nH]c2C)[nH+]1 ZINC000635344749 345315194 /nfs/dbraw/zinc/31/51/94/345315194.db2.gz GUPBMGVPOHTLOM-UHFFFAOYSA-N 1 2 247.302 1.493 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635188387 345267778 /nfs/dbraw/zinc/26/77/78/345267778.db2.gz LNYWJUMBBJDYAB-JMJZKYOTSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635188387 345267779 /nfs/dbraw/zinc/26/77/79/345267779.db2.gz LNYWJUMBBJDYAB-JMJZKYOTSA-N 1 2 233.315 1.770 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635200779 345271544 /nfs/dbraw/zinc/27/15/44/345271544.db2.gz XPIAMRHZTHGDID-NXEZZACHSA-N 1 2 221.304 1.772 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635200779 345271547 /nfs/dbraw/zinc/27/15/47/345271547.db2.gz XPIAMRHZTHGDID-NXEZZACHSA-N 1 2 221.304 1.772 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635298844 345297364 /nfs/dbraw/zinc/29/73/64/345297364.db2.gz ARKYQKOXCVRQJD-SGIHWFKDSA-N 1 2 219.288 1.285 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635298844 345297366 /nfs/dbraw/zinc/29/73/66/345297366.db2.gz ARKYQKOXCVRQJD-SGIHWFKDSA-N 1 2 219.288 1.285 20 0 BDADLO COC(=O)C1(C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000425277404 192086963 /nfs/dbraw/zinc/08/69/63/192086963.db2.gz DZNJJBBCTNURFH-UHFFFAOYSA-N 1 2 247.298 1.353 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000408465047 345312374 /nfs/dbraw/zinc/31/23/74/345312374.db2.gz HTUQZLVLZBMUTD-WCBMZHEXSA-N 1 2 224.308 1.285 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000408465047 345312375 /nfs/dbraw/zinc/31/23/75/345312375.db2.gz HTUQZLVLZBMUTD-WCBMZHEXSA-N 1 2 224.308 1.285 20 0 BDADLO CCc1nnc(C[N@H+](CCCCO)C2CC2)[nH]1 ZINC000158653058 345361652 /nfs/dbraw/zinc/36/16/52/345361652.db2.gz CJFWYZSIIKMVGF-UHFFFAOYSA-N 1 2 238.335 1.104 20 0 BDADLO CCc1nnc(C[N@@H+](CCCCO)C2CC2)[nH]1 ZINC000158653058 345361655 /nfs/dbraw/zinc/36/16/55/345361655.db2.gz CJFWYZSIIKMVGF-UHFFFAOYSA-N 1 2 238.335 1.104 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1C[C@H]1C ZINC000619433779 345384283 /nfs/dbraw/zinc/38/42/83/345384283.db2.gz WJCFHQFHPWHURP-KATARQTJSA-N 1 2 215.268 1.228 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1C[C@H]1C ZINC000619433779 345384286 /nfs/dbraw/zinc/38/42/86/345384286.db2.gz WJCFHQFHPWHURP-KATARQTJSA-N 1 2 215.268 1.228 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115528 345334429 /nfs/dbraw/zinc/33/44/29/345334429.db2.gz WQGNWAHDKSWCJB-UHFFFAOYSA-N 1 2 220.320 1.879 20 0 BDADLO Cc1nc(C[N@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115528 345334431 /nfs/dbraw/zinc/33/44/31/345334431.db2.gz WQGNWAHDKSWCJB-UHFFFAOYSA-N 1 2 220.320 1.879 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331574847 345423002 /nfs/dbraw/zinc/42/30/02/345423002.db2.gz FABVTOYSVQOQOB-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H](CO)CC2)no1 ZINC000331574847 345423008 /nfs/dbraw/zinc/42/30/08/345423008.db2.gz FABVTOYSVQOQOB-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO COC(C)(C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000574893681 345437551 /nfs/dbraw/zinc/43/75/51/345437551.db2.gz VHALGRBZISEGRV-UHFFFAOYSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1nc2[nH]ccc2c(NC2CCC(O)CC2)[nH+]1 ZINC000080762443 345449518 /nfs/dbraw/zinc/44/95/18/345449518.db2.gz OWASNMZHOBMWRG-UHFFFAOYSA-N 1 2 246.314 1.982 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C(C)C)C2CC2)[nH+]1 ZINC000635495249 345398157 /nfs/dbraw/zinc/39/81/57/345398157.db2.gz CSEDGEKZOBLBLA-UHFFFAOYSA-N 1 2 235.331 1.914 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635506151 345402277 /nfs/dbraw/zinc/40/22/77/345402277.db2.gz NIDYIPMURUPVRB-GWOFURMSSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635506151 345402278 /nfs/dbraw/zinc/40/22/78/345402278.db2.gz NIDYIPMURUPVRB-GWOFURMSSA-N 1 2 233.315 1.818 20 0 BDADLO C[C@H](CNC(=O)C1CC=CC1)Cn1cc[nH+]c1 ZINC000081799392 345492748 /nfs/dbraw/zinc/49/27/48/345492748.db2.gz WVRDGBBAPMWPRI-LLVKDONJSA-N 1 2 233.315 1.602 20 0 BDADLO OCc1cc[nH+]c(NCCc2ccoc2)c1 ZINC000641659078 362584190 /nfs/dbraw/zinc/58/41/90/362584190.db2.gz LFQCBYQKEOLFTC-UHFFFAOYSA-N 1 2 218.256 1.243 20 0 BDADLO OCc1cc[nH+]c(NCCO[C@@H]2CC2(F)F)c1 ZINC000641659465 362584583 /nfs/dbraw/zinc/58/45/83/362584583.db2.gz OJEPQJUZLIEGRD-SECBINFHSA-N 1 2 244.241 1.410 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)C1(CO)CC1 ZINC000641659628 362585515 /nfs/dbraw/zinc/58/55/15/362585515.db2.gz SCRGGCMNOBELLE-QMMMGPOBSA-N 1 2 210.252 1.216 20 0 BDADLO Fc1c[nH+]ccc1N1CCC2(COC2)C1 ZINC000641667034 362589376 /nfs/dbraw/zinc/58/93/76/362589376.db2.gz AJCXZUSIHZYHAK-UHFFFAOYSA-N 1 2 208.236 1.447 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)Nc1cc[nH+]cc1C ZINC000635535145 345487314 /nfs/dbraw/zinc/48/73/14/345487314.db2.gz LHDMSSJNGWHNCL-NSHDSACASA-N 1 2 236.315 1.548 20 0 BDADLO C[C@H](O)CCN(C)c1cc[nH+]c2ccncc21 ZINC000085688513 345528885 /nfs/dbraw/zinc/52/88/85/345528885.db2.gz USERSAZTGRDPAH-JTQLQIEISA-N 1 2 231.299 1.837 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC2(CC2)CC1 ZINC000635544136 345560089 /nfs/dbraw/zinc/56/00/89/345560089.db2.gz DFYIJHXTKUIGPK-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC2(CC2)CC1 ZINC000635544136 345560092 /nfs/dbraw/zinc/56/00/92/345560092.db2.gz DFYIJHXTKUIGPK-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC(C)C ZINC000062366924 192089341 /nfs/dbraw/zinc/08/93/41/192089341.db2.gz BPBGBLJYUIBOOU-UHFFFAOYSA-N 1 2 205.265 1.524 20 0 BDADLO COCCCOCCN(C)c1cc(C)[nH+]cn1 ZINC000091024127 345580677 /nfs/dbraw/zinc/58/06/77/345580677.db2.gz DDVFYEUOUKZXMY-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCC(CC)[N@H+](CCOC)Cc1n[nH]c(=O)[nH]1 ZINC000091555297 345598924 /nfs/dbraw/zinc/59/89/24/345598924.db2.gz BYWFNCPCARCMLY-UHFFFAOYSA-N 1 2 242.323 1.147 20 0 BDADLO CCC(CC)[N@@H+](CCOC)Cc1n[nH]c(=O)[nH]1 ZINC000091555297 345598926 /nfs/dbraw/zinc/59/89/26/345598926.db2.gz BYWFNCPCARCMLY-UHFFFAOYSA-N 1 2 242.323 1.147 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]cc2F)CC[S@@]1=O ZINC000603358105 349932540 /nfs/dbraw/zinc/93/25/40/349932540.db2.gz JDTBCLGHTPPRIO-ABKXIKBNSA-N 1 2 242.319 1.568 20 0 BDADLO Cc1cc(N2Cc3nc(C)[nH]c(=O)c3C2)nc[nH+]1 ZINC000641686695 362606910 /nfs/dbraw/zinc/60/69/10/362606910.db2.gz AMTIPTCQIINQGJ-UHFFFAOYSA-N 1 2 243.270 1.109 20 0 BDADLO Cc1cccnc1C[N@H+]1CCOC[C@@H]1C ZINC000093158807 345658382 /nfs/dbraw/zinc/65/83/82/345658382.db2.gz NCUFXKDUDJHKAU-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCOC[C@@H]1C ZINC000093158807 345658385 /nfs/dbraw/zinc/65/83/85/345658385.db2.gz NCUFXKDUDJHKAU-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO c1cc(C[N@@H+]2CCOCC23CCCC3)n[nH]1 ZINC000093840775 345665444 /nfs/dbraw/zinc/66/54/44/345665444.db2.gz OUKXNGHZKUJQFU-UHFFFAOYSA-N 1 2 221.304 1.555 20 0 BDADLO c1cc(C[N@H+]2CCOCC23CCCC3)n[nH]1 ZINC000093840775 345665446 /nfs/dbraw/zinc/66/54/46/345665446.db2.gz OUKXNGHZKUJQFU-UHFFFAOYSA-N 1 2 221.304 1.555 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cncs2)C1 ZINC000093887373 345666516 /nfs/dbraw/zinc/66/65/16/345666516.db2.gz ZQZKWFLVEJPJHH-SNVBAGLBSA-N 1 2 244.291 1.230 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cncs2)C1 ZINC000093887373 345666522 /nfs/dbraw/zinc/66/65/22/345666522.db2.gz ZQZKWFLVEJPJHH-SNVBAGLBSA-N 1 2 244.291 1.230 20 0 BDADLO N#Cc1c(Cl)nsc1-n1cc[nH+]c1 ZINC000092583353 345640013 /nfs/dbraw/zinc/64/00/13/345640013.db2.gz OTEPORFHFRELMZ-UHFFFAOYSA-N 1 2 210.649 1.854 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C)o2)C1 ZINC000093887474 345667283 /nfs/dbraw/zinc/66/72/83/345667283.db2.gz SBJNEUHPGVUIMA-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000093887474 345667285 /nfs/dbraw/zinc/66/72/85/345667285.db2.gz SBJNEUHPGVUIMA-LBPRGKRZSA-N 1 2 241.262 1.675 20 0 BDADLO c1cnn([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000092967598 345650035 /nfs/dbraw/zinc/65/00/35/345650035.db2.gz VGJPJCONVQVQQS-LBPRGKRZSA-N 1 2 231.303 1.443 20 0 BDADLO c1cnn([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000092967598 345650036 /nfs/dbraw/zinc/65/00/36/345650036.db2.gz VGJPJCONVQVQQS-LBPRGKRZSA-N 1 2 231.303 1.443 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1CCCn2nccc21 ZINC000641684333 362603142 /nfs/dbraw/zinc/60/31/42/362603142.db2.gz GLMINPYJBKWBSF-NSHDSACASA-N 1 2 232.262 1.786 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)[C@H](C)O1 ZINC000641681428 362603406 /nfs/dbraw/zinc/60/34/06/362603406.db2.gz HHYKVWROSISULR-VHSKPIJISA-N 1 2 210.252 1.620 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1CSC1 ZINC000641682797 362604891 /nfs/dbraw/zinc/60/48/91/362604891.db2.gz REITZSMEAVUQFP-UHFFFAOYSA-N 1 2 235.316 1.138 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000093444821 345670838 /nfs/dbraw/zinc/67/08/38/345670838.db2.gz SFXZTEZYMXRXOX-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ncccc1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000093444821 345670843 /nfs/dbraw/zinc/67/08/43/345670843.db2.gz SFXZTEZYMXRXOX-UHFFFAOYSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC1(O)CCCC1 ZINC000093503259 345674369 /nfs/dbraw/zinc/67/43/69/345674369.db2.gz LSTFJXXCGOLRMQ-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC1(O)CCCC1 ZINC000093503259 345674372 /nfs/dbraw/zinc/67/43/72/345674372.db2.gz LSTFJXXCGOLRMQ-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO COC[C@@H]([NH2+]Cc1ccncc1N)c1ccco1 ZINC000641732435 362652592 /nfs/dbraw/zinc/65/25/92/362652592.db2.gz UPRJFKDXKDGWDN-GFCCVEGCSA-N 1 2 247.298 1.734 20 0 BDADLO COc1cc(C)ccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000221020992 345746903 /nfs/dbraw/zinc/74/69/03/345746903.db2.gz SDNNQXXPPXIRIA-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C)ccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000221020992 345746905 /nfs/dbraw/zinc/74/69/05/345746905.db2.gz SDNNQXXPPXIRIA-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO CC(=O)N1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000221495470 345747601 /nfs/dbraw/zinc/74/76/01/345747601.db2.gz VHXQYCLSHVPPTC-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CC(C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000149597994 345716916 /nfs/dbraw/zinc/71/69/16/345716916.db2.gz RZMRAVCTUCAPCU-UHFFFAOYSA-N 1 2 207.277 1.313 20 0 BDADLO OCCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000168567104 345723241 /nfs/dbraw/zinc/72/32/41/345723241.db2.gz ZMJJCKVBWGKNNY-UHFFFAOYSA-N 1 2 230.311 1.908 20 0 BDADLO OCCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000168567104 345723242 /nfs/dbraw/zinc/72/32/42/345723242.db2.gz ZMJJCKVBWGKNNY-UHFFFAOYSA-N 1 2 230.311 1.908 20 0 BDADLO CN(C(=O)C[N@H+](C)Cc1ccoc1)C1CC1 ZINC000138375250 345765559 /nfs/dbraw/zinc/76/55/59/345765559.db2.gz AUHKHDKDBCYLRC-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO CN(C(=O)C[N@@H+](C)Cc1ccoc1)C1CC1 ZINC000138375250 345765564 /nfs/dbraw/zinc/76/55/64/345765564.db2.gz AUHKHDKDBCYLRC-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO CCOC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000261322375 345797464 /nfs/dbraw/zinc/79/74/64/345797464.db2.gz KOPAXFPFYKMFIC-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@H](C)C[C@H]2C)[nH+]1 ZINC000635595082 345882000 /nfs/dbraw/zinc/88/20/00/345882000.db2.gz CHEZPSHUONLIDD-NXEZZACHSA-N 1 2 235.331 1.772 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1C ZINC000635649848 345927249 /nfs/dbraw/zinc/92/72/49/345927249.db2.gz UBJKROYMJMFEKI-GWOFURMSSA-N 1 2 233.315 1.770 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1C ZINC000635649848 345927255 /nfs/dbraw/zinc/92/72/55/345927255.db2.gz UBJKROYMJMFEKI-GWOFURMSSA-N 1 2 233.315 1.770 20 0 BDADLO CNc1cc(NCc2ccco2)nc[nH+]1 ZINC000087806794 345942054 /nfs/dbraw/zinc/94/20/54/345942054.db2.gz HMTKCSUNDRTSAC-UHFFFAOYSA-N 1 2 204.233 1.723 20 0 BDADLO CNc1cc(NCc2ccco2)[nH+]cn1 ZINC000087806794 345942056 /nfs/dbraw/zinc/94/20/56/345942056.db2.gz HMTKCSUNDRTSAC-UHFFFAOYSA-N 1 2 204.233 1.723 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635675495 345972614 /nfs/dbraw/zinc/97/26/14/345972614.db2.gz IFGZDUHWKFWSDX-GWOFURMSSA-N 1 2 233.315 1.913 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635675495 345972616 /nfs/dbraw/zinc/97/26/16/345972616.db2.gz IFGZDUHWKFWSDX-GWOFURMSSA-N 1 2 233.315 1.913 20 0 BDADLO CCc1c[nH]c(CC(=O)N2[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC000635677715 345974858 /nfs/dbraw/zinc/97/48/58/345974858.db2.gz VRTCDJOGVUCFBS-UWVGGRQHSA-N 1 2 235.331 1.914 20 0 BDADLO C[C@H](C(=O)Nc1cccc(Cl)c1O)[NH+](C)C ZINC000635740823 346040181 /nfs/dbraw/zinc/04/01/81/346040181.db2.gz XBCFVLNBRBBLJH-SSDOTTSWSA-N 1 2 242.706 1.934 20 0 BDADLO CO[C@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC000418997335 192096558 /nfs/dbraw/zinc/09/65/58/192096558.db2.gz UCAIHMFVZDMAAZ-NSHDSACASA-N 1 2 223.320 1.680 20 0 BDADLO O=C(Nc1cnns1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635830180 346085304 /nfs/dbraw/zinc/08/53/04/346085304.db2.gz UWQSXJDWMMUWSC-PHDIDXHHSA-N 1 2 235.272 1.003 20 0 BDADLO O=C(Nc1cnns1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635830180 346085307 /nfs/dbraw/zinc/08/53/07/346085307.db2.gz UWQSXJDWMMUWSC-PHDIDXHHSA-N 1 2 235.272 1.003 20 0 BDADLO CC(C)C[C@H](C(=O)NCCF)n1cc[nH+]c1 ZINC000635889558 346099565 /nfs/dbraw/zinc/09/95/65/346099565.db2.gz KZDWOYBTQPYOLO-SNVBAGLBSA-N 1 2 227.283 1.556 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccncc1 ZINC000169798194 346103346 /nfs/dbraw/zinc/10/33/46/346103346.db2.gz WKZAUNKIJVVMGG-LLVKDONJSA-N 1 2 242.282 1.023 20 0 BDADLO c1cc(NC[C@H]2CC23CC3)nc(C2CC2)[nH+]1 ZINC000419001732 192096870 /nfs/dbraw/zinc/09/68/70/192096870.db2.gz ZATNMMKMRPOHGX-SNVBAGLBSA-N 1 2 215.300 1.988 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(C)(CC)C2)[nH+]1 ZINC000635950473 346121230 /nfs/dbraw/zinc/12/12/30/346121230.db2.gz NEQSALNLQAVDQQ-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000635951650 346121920 /nfs/dbraw/zinc/12/19/20/346121920.db2.gz VOFJFBXFOJUKTA-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000635951650 346121923 /nfs/dbraw/zinc/12/19/23/346121923.db2.gz VOFJFBXFOJUKTA-HBNTYKKESA-N 1 2 249.314 1.151 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000635952542 346122406 /nfs/dbraw/zinc/12/24/06/346122406.db2.gz UKQFZCGBXQZTRD-RKDXNWHRSA-N 1 2 239.319 1.384 20 0 BDADLO CC/C=C\CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635984606 346138125 /nfs/dbraw/zinc/13/81/25/346138125.db2.gz SACKMAQWHPSVED-WAYWQWQTSA-N 1 2 221.304 1.597 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@H](F)C2)[nH+]1 ZINC000635982347 346147196 /nfs/dbraw/zinc/14/71/96/346147196.db2.gz CXQXHPFRDZUJKW-QMMMGPOBSA-N 1 2 225.267 1.085 20 0 BDADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1O)[NH+](C)C ZINC000636016979 346156955 /nfs/dbraw/zinc/15/69/55/346156955.db2.gz WSARTXWIXZXMIB-ZCFIWIBFSA-N 1 2 244.241 1.559 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)o1 ZINC000628244750 346209433 /nfs/dbraw/zinc/20/94/33/346209433.db2.gz UNAMPFYKZXEUDD-LPEHRKFASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)o1 ZINC000628244750 346209435 /nfs/dbraw/zinc/20/94/35/346209435.db2.gz UNAMPFYKZXEUDD-LPEHRKFASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2nnc(C)s2)o1 ZINC000628236327 346190373 /nfs/dbraw/zinc/19/03/73/346190373.db2.gz XSGGPRPHGSKPOH-UHFFFAOYSA-N 1 2 238.316 1.741 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2nccn2CC)[nH+]1 ZINC000636046040 346228696 /nfs/dbraw/zinc/22/86/96/346228696.db2.gz VUEFXENSWLEWDV-UHFFFAOYSA-N 1 2 247.302 1.370 20 0 BDADLO CCc1cc(NCCc2ccc(C)[nH+]c2)ncn1 ZINC000603393295 349945071 /nfs/dbraw/zinc/94/50/71/349945071.db2.gz HLKVSAIKUAVBKG-UHFFFAOYSA-N 1 2 242.326 1.819 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C(C)C)C(C)C ZINC000636799530 349948182 /nfs/dbraw/zinc/94/81/82/349948182.db2.gz OLEYKSZRMOWJHV-LBPRGKRZSA-N 1 2 242.363 1.353 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C(C)C)C(C)C ZINC000636799530 349948186 /nfs/dbraw/zinc/94/81/86/349948186.db2.gz OLEYKSZRMOWJHV-LBPRGKRZSA-N 1 2 242.363 1.353 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332904934 537966468 /nfs/dbraw/zinc/96/64/68/537966468.db2.gz YDDLOSRWOFYLIH-LDYMZIIASA-N 1 2 248.330 1.365 20 0 BDADLO CC1(C)C[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332904934 537966474 /nfs/dbraw/zinc/96/64/74/537966474.db2.gz YDDLOSRWOFYLIH-LDYMZIIASA-N 1 2 248.330 1.365 20 0 BDADLO COCC1CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000631333367 346286471 /nfs/dbraw/zinc/28/64/71/346286471.db2.gz BVLKIBLBHUNZJD-UHFFFAOYSA-N 1 2 247.342 1.746 20 0 BDADLO COCc1cc(C[NH2+]Cc2cnccc2C)no1 ZINC000641759039 362689586 /nfs/dbraw/zinc/68/95/86/362689586.db2.gz ZSBPFGRQOWOYFN-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)N=c1[nH][nH]cc1C1CC1 ZINC000636064185 346307818 /nfs/dbraw/zinc/30/78/18/346307818.db2.gz ZHSADBGJDULMIX-NSHDSACASA-N 1 2 248.330 1.132 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)N=c1[nH][nH]cc1C1CC1 ZINC000636064185 346307821 /nfs/dbraw/zinc/30/78/21/346307821.db2.gz ZHSADBGJDULMIX-NSHDSACASA-N 1 2 248.330 1.132 20 0 BDADLO Cc1cc(CNc2cc(CO)cc[nH+]2)sn1 ZINC000641762069 362684624 /nfs/dbraw/zinc/68/46/24/362684624.db2.gz CXLUEGNPPKBQSW-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO COc1cncc(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000636209549 346355621 /nfs/dbraw/zinc/35/56/21/346355621.db2.gz UJNIJMDLROVGDC-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636278859 346375830 /nfs/dbraw/zinc/37/58/30/346375830.db2.gz APURFJAHYSJLNM-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO COC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636278859 346375832 /nfs/dbraw/zinc/37/58/32/346375832.db2.gz APURFJAHYSJLNM-GMTAPVOTSA-N 1 2 249.314 1.151 20 0 BDADLO C/C=C/CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636284474 346378199 /nfs/dbraw/zinc/37/81/99/346378199.db2.gz BPRFUNSOBPQTHD-HWKANZROSA-N 1 2 207.277 1.207 20 0 BDADLO C/C=C\CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636284475 346378335 /nfs/dbraw/zinc/37/83/35/346378335.db2.gz BPRFUNSOBPQTHD-HYXAFXHYSA-N 1 2 207.277 1.207 20 0 BDADLO CCCC[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000282435214 346403525 /nfs/dbraw/zinc/40/35/25/346403525.db2.gz DKPZVUVXHREJKT-SECBINFHSA-N 1 2 209.293 1.852 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1F ZINC000679219592 488317348 /nfs/dbraw/zinc/31/73/48/488317348.db2.gz DONFLHSHTBNGGV-ONGXEEELSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1F ZINC000679219592 488317349 /nfs/dbraw/zinc/31/73/49/488317349.db2.gz DONFLHSHTBNGGV-ONGXEEELSA-N 1 2 228.311 1.193 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@H]2CCOC2=O)c1 ZINC000298845891 179072210 /nfs/dbraw/zinc/07/22/10/179072210.db2.gz JRFVRKVSADUQMH-LBPRGKRZSA-N 1 2 219.284 1.742 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@H]2CCOC2=O)c1 ZINC000298845891 179072212 /nfs/dbraw/zinc/07/22/12/179072212.db2.gz JRFVRKVSADUQMH-LBPRGKRZSA-N 1 2 219.284 1.742 20 0 BDADLO Cc1cccc(C[NH+]2CC(NC(=O)C3CC3)C2)c1 ZINC000297292999 179073025 /nfs/dbraw/zinc/07/30/25/179073025.db2.gz AZPVTMIBKXUIRI-UHFFFAOYSA-N 1 2 244.338 1.705 20 0 BDADLO Cc1cccc(C[NH+]2CCS(=O)CC2)c1 ZINC000112598841 179078296 /nfs/dbraw/zinc/07/82/96/179078296.db2.gz XJLGNSUBFDLHQR-UHFFFAOYSA-N 1 2 223.341 1.559 20 0 BDADLO Cc1cccc(C[NH+]2CCOCC2)c1F ZINC000075928281 179079635 /nfs/dbraw/zinc/07/96/35/179079635.db2.gz YYSIJCJDUNPDOT-UHFFFAOYSA-N 1 2 209.264 1.966 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000603412556 349961261 /nfs/dbraw/zinc/96/12/61/349961261.db2.gz FDILLZPMGBFKNY-MRVPVSSYSA-N 1 2 216.235 1.008 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000603412556 349961263 /nfs/dbraw/zinc/96/12/63/349961263.db2.gz FDILLZPMGBFKNY-MRVPVSSYSA-N 1 2 216.235 1.008 20 0 BDADLO C[C@H]([NH2+]Cc1cnc(N(C)C)s1)C(F)F ZINC000641794179 362734278 /nfs/dbraw/zinc/73/42/78/362734278.db2.gz RDHUIKZWCNDHIO-LURJTMIESA-N 1 2 235.303 1.952 20 0 BDADLO Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641798965 362745998 /nfs/dbraw/zinc/74/59/98/362745998.db2.gz RTWNPMNIGWMLHC-FPMFFAJLSA-N 1 2 248.374 1.022 20 0 BDADLO Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000641798967 362747465 /nfs/dbraw/zinc/74/74/65/362747465.db2.gz RTWNPMNIGWMLHC-UBHSHLNASA-N 1 2 248.374 1.022 20 0 BDADLO FC(F)CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000603416286 349963975 /nfs/dbraw/zinc/96/39/75/349963975.db2.gz OEXNZBMRGYZQKB-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cncs1 ZINC000580093965 346520413 /nfs/dbraw/zinc/52/04/13/346520413.db2.gz KCRISEVEFPJIIS-UHFFFAOYSA-N 1 2 236.300 1.290 20 0 BDADLO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccn[nH]1 ZINC000171734635 346488118 /nfs/dbraw/zinc/48/81/18/346488118.db2.gz NMUQOFXCXGVMKK-SECBINFHSA-N 1 2 239.319 1.620 20 0 BDADLO COCC1(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000401292286 346561117 /nfs/dbraw/zinc/56/11/17/346561117.db2.gz YCYURJQHRQVYRM-SECBINFHSA-N 1 2 237.303 1.404 20 0 BDADLO CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226953 488322461 /nfs/dbraw/zinc/32/24/61/488322461.db2.gz WCWKIEYJUUTVTO-ZJUUUORDSA-N 1 2 216.300 1.193 20 0 BDADLO CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226953 488322462 /nfs/dbraw/zinc/32/24/62/488322462.db2.gz WCWKIEYJUUTVTO-ZJUUUORDSA-N 1 2 216.300 1.193 20 0 BDADLO O=C([C@H]1CCCS1)N1CC(n2cc[nH+]c2)C1 ZINC000525775253 259391077 /nfs/dbraw/zinc/39/10/77/259391077.db2.gz SDHYCYNFNSIMEN-SNVBAGLBSA-N 1 2 237.328 1.162 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000186762206 346534666 /nfs/dbraw/zinc/53/46/66/346534666.db2.gz RBROUWYWEVDOFQ-ZYHUDNBSSA-N 1 2 235.331 1.658 20 0 BDADLO COc1ccc(CNc2nc(C)[nH+]cc2C)cn1 ZINC000577110446 365819781 /nfs/dbraw/zinc/81/97/81/365819781.db2.gz KZEJHALDERXBQJ-UHFFFAOYSA-N 1 2 244.298 1.531 20 0 BDADLO CSCCCN(C)c1cc(CO)cc[nH+]1 ZINC000300808674 346538269 /nfs/dbraw/zinc/53/82/69/346538269.db2.gz GUWSPCHWUAIVCW-UHFFFAOYSA-N 1 2 226.345 1.763 20 0 BDADLO CCC[C@H](C)[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC000563628254 323132458 /nfs/dbraw/zinc/13/24/58/323132458.db2.gz BTWWLSNBIUKJIR-ONGXEEELSA-N 1 2 223.320 1.994 20 0 BDADLO CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000221621234 346694168 /nfs/dbraw/zinc/69/41/68/346694168.db2.gz BHHDQOLNFNMODS-GFCCVEGCSA-N 1 2 222.263 1.319 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2ccncc2)CCO1 ZINC000626174503 346758809 /nfs/dbraw/zinc/75/88/09/346758809.db2.gz SKQQHOZHEXQBOJ-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2ccncc2)CCO1 ZINC000626174503 346758812 /nfs/dbraw/zinc/75/88/12/346758812.db2.gz SKQQHOZHEXQBOJ-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589987356 346760983 /nfs/dbraw/zinc/76/09/83/346760983.db2.gz BMVFDGOGQREAJJ-UHFFFAOYSA-N 1 2 220.272 1.471 20 0 BDADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000168629463 346738707 /nfs/dbraw/zinc/73/87/07/346738707.db2.gz TWLYLGUNZBSJJZ-VIFPVBQESA-N 1 2 217.272 1.788 20 0 BDADLO COC[C@@]1(C)C[N@H+](CCC(F)(F)F)CCO1 ZINC000626174069 346747536 /nfs/dbraw/zinc/74/75/36/346747536.db2.gz JMMLVQYNDOBGNC-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO COC[C@@]1(C)C[N@@H+](CCC(F)(F)F)CCO1 ZINC000626174069 346747539 /nfs/dbraw/zinc/74/75/39/346747539.db2.gz JMMLVQYNDOBGNC-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC(=O)N1CC[C@@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000176638138 365857465 /nfs/dbraw/zinc/85/74/65/365857465.db2.gz ISXVWNQFYPUZMR-LLVKDONJSA-N 1 2 247.298 1.197 20 0 BDADLO CCn1nncc1C[N@@H+]1CCC[C@H](F)C1 ZINC000577184014 365865251 /nfs/dbraw/zinc/86/52/51/365865251.db2.gz IEIVHWQJCAZCRL-VIFPVBQESA-N 1 2 212.272 1.232 20 0 BDADLO CCn1nncc1C[N@H+]1CCC[C@H](F)C1 ZINC000577184014 365865254 /nfs/dbraw/zinc/86/52/54/365865254.db2.gz IEIVHWQJCAZCRL-VIFPVBQESA-N 1 2 212.272 1.232 20 0 BDADLO COC[C@@H](C)CNc1ccc(N(C)C)c[nH+]1 ZINC000188135837 346790397 /nfs/dbraw/zinc/79/03/97/346790397.db2.gz AQGXCYMHKYANJR-JTQLQIEISA-N 1 2 223.320 1.842 20 0 BDADLO CSCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000571096987 323135370 /nfs/dbraw/zinc/13/53/70/323135370.db2.gz MJPKPIUJVZGUHB-UHFFFAOYSA-N 1 2 227.333 1.432 20 0 BDADLO c1cn(Cc2nc(-c3cscn3)no2)c[nH+]1 ZINC000580258663 346800634 /nfs/dbraw/zinc/80/06/34/346800634.db2.gz QXQSVKOECBGPRL-UHFFFAOYSA-N 1 2 233.256 1.438 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC[C@@H](C)C2)no1 ZINC000185261757 347195335 /nfs/dbraw/zinc/19/53/35/347195335.db2.gz RMYKJTNUIXJOAU-SNVBAGLBSA-N 1 2 239.319 1.838 20 0 BDADLO COCc1nc(C[N@H+]2CCCC[C@@H](C)C2)no1 ZINC000185261757 347195337 /nfs/dbraw/zinc/19/53/37/347195337.db2.gz RMYKJTNUIXJOAU-SNVBAGLBSA-N 1 2 239.319 1.838 20 0 BDADLO Cc1cccc([C@H](C)[N@H+](C)Cc2nnnn2C)c1 ZINC000341550563 179193951 /nfs/dbraw/zinc/19/39/51/179193951.db2.gz RKHQPEWIAUXDSB-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1cccc([C@H](C)[N@@H+](C)Cc2nnnn2C)c1 ZINC000341550563 179193954 /nfs/dbraw/zinc/19/39/54/179193954.db2.gz RKHQPEWIAUXDSB-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnnn1C ZINC000188578537 347285141 /nfs/dbraw/zinc/28/51/41/347285141.db2.gz SLFFNBXLXJFIMC-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnnn1C ZINC000188578537 347285143 /nfs/dbraw/zinc/28/51/43/347285143.db2.gz SLFFNBXLXJFIMC-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+][C@@H](CCO)C(F)F ZINC000571326570 323141490 /nfs/dbraw/zinc/14/14/90/323141490.db2.gz HYVQCDUZHZNTSI-ZJUUUORDSA-N 1 2 239.306 1.389 20 0 BDADLO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ncn(C)n1 ZINC000336225381 179214164 /nfs/dbraw/zinc/21/41/64/179214164.db2.gz ZTDQDRHIEWIDAZ-ZDUSSCGKSA-N 1 2 242.326 1.901 20 0 BDADLO COCC(COC)Nc1[nH+]c2ccccc2n1C ZINC000388384061 347375973 /nfs/dbraw/zinc/37/59/73/347375973.db2.gz XNYRPXYHLZYLOJ-UHFFFAOYSA-N 1 2 249.314 1.069 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC12CC2 ZINC000616921539 347451000 /nfs/dbraw/zinc/45/10/00/347451000.db2.gz ULQAIBDJVSMEBC-VIFPVBQESA-N 1 2 205.261 1.168 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC12CC2 ZINC000616921539 347451005 /nfs/dbraw/zinc/45/10/05/347451005.db2.gz ULQAIBDJVSMEBC-VIFPVBQESA-N 1 2 205.261 1.168 20 0 BDADLO CCCCO[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924303 347454400 /nfs/dbraw/zinc/45/44/00/347454400.db2.gz DJKGDUPSTYLSQJ-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO CCCCO[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924303 347454403 /nfs/dbraw/zinc/45/44/03/347454403.db2.gz DJKGDUPSTYLSQJ-SNVBAGLBSA-N 1 2 239.319 1.573 20 0 BDADLO CCCn1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616927647 347455500 /nfs/dbraw/zinc/45/55/00/347455500.db2.gz NCWBZSQAGOIULX-UHFFFAOYSA-N 1 2 247.302 1.288 20 0 BDADLO CCCn1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616927647 347455503 /nfs/dbraw/zinc/45/55/03/347455503.db2.gz NCWBZSQAGOIULX-UHFFFAOYSA-N 1 2 247.302 1.288 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928591 347494933 /nfs/dbraw/zinc/49/49/33/347494933.db2.gz FZNPKKRJENSSSL-VHSXEESVSA-N 1 2 239.319 1.287 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928591 347494937 /nfs/dbraw/zinc/49/49/37/347494937.db2.gz FZNPKKRJENSSSL-VHSXEESVSA-N 1 2 239.319 1.287 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)c(C)nn1 ZINC000616926671 347457991 /nfs/dbraw/zinc/45/79/91/347457991.db2.gz LILVLMVJUUIQPY-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)c(C)nn1 ZINC000616926671 347457994 /nfs/dbraw/zinc/45/79/94/347457994.db2.gz LILVLMVJUUIQPY-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO COCC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926553 347458414 /nfs/dbraw/zinc/45/84/14/347458414.db2.gz HKJOQSQBIBXDGV-UHFFFAOYSA-N 1 2 225.292 1.041 20 0 BDADLO COCC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926553 347458417 /nfs/dbraw/zinc/45/84/17/347458417.db2.gz HKJOQSQBIBXDGV-UHFFFAOYSA-N 1 2 225.292 1.041 20 0 BDADLO CCCCOCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925919 347458729 /nfs/dbraw/zinc/45/87/29/347458729.db2.gz VQDFLQNOGSMEQX-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCCCOCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925919 347458733 /nfs/dbraw/zinc/45/87/33/347458733.db2.gz VQDFLQNOGSMEQX-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CC(C)OC(=O)CCN1CCn2c[nH+]cc2C1 ZINC000590599070 347479556 /nfs/dbraw/zinc/47/95/56/347479556.db2.gz GIXJYOHEIRLQGJ-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO Cc1ccccc1C(C)(C)[NH2+]Cc1nnn(C)n1 ZINC000292899090 179255959 /nfs/dbraw/zinc/25/59/59/179255959.db2.gz GJOPRKFPEZYMFG-UHFFFAOYSA-N 1 2 245.330 1.543 20 0 BDADLO CCC(=O)CCC[N@H+](C)[C@H](C)C(=O)OC ZINC000590735506 347501368 /nfs/dbraw/zinc/50/13/68/347501368.db2.gz BGNKRFXVJFIARR-SECBINFHSA-N 1 2 215.293 1.239 20 0 BDADLO CCC(=O)CCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000590735506 347501372 /nfs/dbraw/zinc/50/13/72/347501372.db2.gz BGNKRFXVJFIARR-SECBINFHSA-N 1 2 215.293 1.239 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590816504 347567606 /nfs/dbraw/zinc/56/76/06/347567606.db2.gz YGPPHJMYGWLMES-JTQLQIEISA-N 1 2 245.286 1.084 20 0 BDADLO O=C(c1cnc[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590816504 347567610 /nfs/dbraw/zinc/56/76/10/347567610.db2.gz YGPPHJMYGWLMES-JTQLQIEISA-N 1 2 245.286 1.084 20 0 BDADLO Cc1occc1CNC(=O)NCc1[nH+]ccn1C ZINC000590860453 347575729 /nfs/dbraw/zinc/57/57/29/347575729.db2.gz MTBGSDXKYFQZJZ-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC1(O)CCC1)C(C)(C)C ZINC000591019329 347605826 /nfs/dbraw/zinc/60/58/26/347605826.db2.gz WFLFCKCCZGQZLU-SNVBAGLBSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1cn[nH]c1)C(C)(C)C ZINC000590954458 347593821 /nfs/dbraw/zinc/59/38/21/347593821.db2.gz LGZPZLIKGXPHIX-SNVBAGLBSA-N 1 2 239.319 1.130 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@H](C)C(C)C ZINC000636602414 347548190 /nfs/dbraw/zinc/54/81/90/347548190.db2.gz NRHPTIDMXZUMNO-NEPJUHHUSA-N 1 2 242.363 1.210 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@H](C)C(C)C ZINC000636602414 347548191 /nfs/dbraw/zinc/54/81/91/347548191.db2.gz NRHPTIDMXZUMNO-NEPJUHHUSA-N 1 2 242.363 1.210 20 0 BDADLO Cn1cc(NC(=O)CCCn2cc[nH+]c2)cn1 ZINC000591129773 347623632 /nfs/dbraw/zinc/62/36/32/347623632.db2.gz GKMKPWXMCCGERV-UHFFFAOYSA-N 1 2 233.275 1.036 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCOCC1CCC1 ZINC000419187692 192108222 /nfs/dbraw/zinc/10/82/22/192108222.db2.gz JNDXUBCOJMLKGS-UHFFFAOYSA-N 1 2 243.347 1.734 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000592376719 347771573 /nfs/dbraw/zinc/77/15/73/347771573.db2.gz FQRAXQSTPZAIAP-VWYCJHECSA-N 1 2 243.347 1.874 20 0 BDADLO CC[C@H]([NH2+]C1CC(OC)C1)C(=O)OC(C)(C)C ZINC000592527741 347795427 /nfs/dbraw/zinc/79/54/27/347795427.db2.gz OWPMSTQPJUEXRG-ILDUYXDCSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493449564 347808005 /nfs/dbraw/zinc/80/80/05/347808005.db2.gz GYCVEGDNHKDSOS-SNAWJCMRSA-N 1 2 245.286 1.412 20 0 BDADLO Cc1ccccc1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336374198 179302234 /nfs/dbraw/zinc/30/22/34/179302234.db2.gz IYZBFIAOJDCHNR-SNVBAGLBSA-N 1 2 240.253 1.931 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000577335619 365926190 /nfs/dbraw/zinc/92/61/90/365926190.db2.gz GSFHVQYGPOGZHR-SNVBAGLBSA-N 1 2 231.299 1.045 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000577335619 365926198 /nfs/dbraw/zinc/92/61/98/365926198.db2.gz GSFHVQYGPOGZHR-SNVBAGLBSA-N 1 2 231.299 1.045 20 0 BDADLO Cc1csc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593097173 347854114 /nfs/dbraw/zinc/85/41/14/347854114.db2.gz KHBHCOWOJZOJLU-UTEYVOQOSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1csc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593097173 347854117 /nfs/dbraw/zinc/85/41/17/347854117.db2.gz KHBHCOWOJZOJLU-UTEYVOQOSA-N 1 2 242.369 1.157 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)nc1 ZINC000593099017 347856145 /nfs/dbraw/zinc/85/61/45/347856145.db2.gz GUNVEEZLASMZGM-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)nc1 ZINC000593099017 347856147 /nfs/dbraw/zinc/85/61/47/347856147.db2.gz GUNVEEZLASMZGM-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO Cc1ccccc1OCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368335835 179310485 /nfs/dbraw/zinc/31/04/85/179310485.db2.gz ZXPAUAKCCQAAOX-GXTWGEPZSA-N 1 2 233.311 1.847 20 0 BDADLO Cc1ccccc1OCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368335835 179310487 /nfs/dbraw/zinc/31/04/87/179310487.db2.gz ZXPAUAKCCQAAOX-GXTWGEPZSA-N 1 2 233.311 1.847 20 0 BDADLO FC1(F)CCC[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000390713242 259398513 /nfs/dbraw/zinc/39/85/13/259398513.db2.gz XJZFMZOPZXKQOM-MRVPVSSYSA-N 1 2 215.247 1.935 20 0 BDADLO Cn1cc(CSCCCn2cc[nH+]c2)cn1 ZINC000593436282 347889747 /nfs/dbraw/zinc/88/97/47/347889747.db2.gz HSTNPFGABZLAEU-UHFFFAOYSA-N 1 2 236.344 1.940 20 0 BDADLO C[C@H]1CSC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577387259 365941591 /nfs/dbraw/zinc/94/15/91/365941591.db2.gz DMIXCIKXICZPAB-VHSXEESVSA-N 1 2 242.388 1.196 20 0 BDADLO COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)C(=O)OC ZINC000593621314 347916720 /nfs/dbraw/zinc/91/67/20/347916720.db2.gz INZXXZYTQVVJCC-NXEZZACHSA-N 1 2 231.336 1.589 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ncoc1C1CC1 ZINC000577420525 365951528 /nfs/dbraw/zinc/95/15/28/365951528.db2.gz VYJNCKNVZNWCNM-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CCC[C@H]([NH2+]CC1(COC)CC1)C(=O)OCC ZINC000594552360 348068570 /nfs/dbraw/zinc/06/85/70/348068570.db2.gz VPLGBWZGQZDWGY-NSHDSACASA-N 1 2 243.347 1.734 20 0 BDADLO CC[C@H](C[NH2+][C@H](C(=O)OC(C)C)C(C)C)OC ZINC000419277841 192111430 /nfs/dbraw/zinc/11/14/30/192111430.db2.gz GTXHNKNARRBIMC-NEPJUHHUSA-N 1 2 245.363 1.977 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2CC3(CC3)C2)c1 ZINC000616208303 348143343 /nfs/dbraw/zinc/14/33/43/348143343.db2.gz XPLRYTRSDYXNHR-UHFFFAOYSA-N 1 2 233.315 1.269 20 0 BDADLO CS[C@H](C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594949341 348147244 /nfs/dbraw/zinc/14/72/44/348147244.db2.gz CHWUJTURGLZXDP-MRVPVSSYSA-N 1 2 243.380 1.269 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@H](C)Nc1ccc[nH+]c1C ZINC000594961425 348151544 /nfs/dbraw/zinc/15/15/44/348151544.db2.gz ZOZWJNBCQYUESS-INTQDDNPSA-N 1 2 234.299 2.000 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)Nc1ccc[nH+]c1C ZINC000594961424 348151581 /nfs/dbraw/zinc/15/15/81/348151581.db2.gz ZOZWJNBCQYUESS-FBIMIBRVSA-N 1 2 234.299 2.000 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594920137 348154573 /nfs/dbraw/zinc/15/45/73/348154573.db2.gz DENGHZZYWJWKKL-GARJFASQSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H](CSCCF)[NH2+]CC(F)(F)CO ZINC000595031891 348175247 /nfs/dbraw/zinc/17/52/47/348175247.db2.gz DPXQEOOQENDRHN-ZETCQYMHSA-N 1 2 231.283 1.295 20 0 BDADLO CC(=O)CCC(=O)Nc1cc[nH+]cc1C ZINC000203575768 348201391 /nfs/dbraw/zinc/20/13/91/348201391.db2.gz PEEBXRCYWBOCJM-UHFFFAOYSA-N 1 2 206.245 1.698 20 0 BDADLO Cc1[nH+]cc(Br)n1CC(C)(C)O ZINC000223647979 348239411 /nfs/dbraw/zinc/23/94/11/348239411.db2.gz CAOHGVUQACZWKK-UHFFFAOYSA-N 1 2 233.109 1.725 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C1CC1 ZINC000396567176 348255405 /nfs/dbraw/zinc/25/54/05/348255405.db2.gz CNHXCTVSRFSKLK-UWVGGRQHSA-N 1 2 227.304 1.095 20 0 BDADLO Cn1ccc(CNc2cc[nH+]cc2F)n1 ZINC000308888434 323180759 /nfs/dbraw/zinc/18/07/59/323180759.db2.gz VFSZPNINXCOXIE-UHFFFAOYSA-N 1 2 206.224 1.566 20 0 BDADLO Cc1cccnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279252586 179389466 /nfs/dbraw/zinc/38/94/66/179389466.db2.gz TYJPGSMSCKUPEG-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](C)CC(C)C ZINC000595532640 348274586 /nfs/dbraw/zinc/27/45/86/348274586.db2.gz UONMEDPVKMSAEC-PWSUYJOCSA-N 1 2 231.336 1.182 20 0 BDADLO CCCC[C@@H]([NH2+][C@H]1C[C@@H](OCC)C1)C(=O)OC ZINC000419304827 192120402 /nfs/dbraw/zinc/12/04/02/192120402.db2.gz QEDUCVCRIQCURQ-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO CC[C@@H](CN1CC[N@H+](CC)C[C@@H]1CC)OC ZINC000419283177 192122150 /nfs/dbraw/zinc/12/21/50/192122150.db2.gz LGXYITDPRQWPEI-STQMWFEESA-N 1 2 228.380 1.828 20 0 BDADLO CC[C@@H](CN1CC[N@@H+](CC)C[C@@H]1CC)OC ZINC000419283177 192122152 /nfs/dbraw/zinc/12/21/52/192122152.db2.gz LGXYITDPRQWPEI-STQMWFEESA-N 1 2 228.380 1.828 20 0 BDADLO Cc1cc(C)c(NC(=O)Cn2cncn2)c(C)[nH+]1 ZINC000642135741 362884515 /nfs/dbraw/zinc/88/45/15/362884515.db2.gz WWFJUDRLTKYHSQ-UHFFFAOYSA-N 1 2 245.286 1.237 20 0 BDADLO CCOCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595769425 348335704 /nfs/dbraw/zinc/33/57/04/348335704.db2.gz LYPWDRCVMRSGJI-LLVKDONJSA-N 1 2 235.299 1.294 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000595782371 348345237 /nfs/dbraw/zinc/34/52/37/348345237.db2.gz ZBKWEDXNRFDPBY-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000595782371 348345238 /nfs/dbraw/zinc/34/52/38/348345238.db2.gz ZBKWEDXNRFDPBY-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO O=C(C[N@H+]1CC[C@H](CO)C1)c1ccccc1F ZINC000162132062 362893203 /nfs/dbraw/zinc/89/32/03/362893203.db2.gz CTOYQNAUOPCAEK-JTQLQIEISA-N 1 2 237.274 1.323 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](CO)C1)c1ccccc1F ZINC000162132062 362893208 /nfs/dbraw/zinc/89/32/08/362893208.db2.gz CTOYQNAUOPCAEK-JTQLQIEISA-N 1 2 237.274 1.323 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCc2nccnc2C1 ZINC000595862084 348383235 /nfs/dbraw/zinc/38/32/35/348383235.db2.gz CCGQEONYMHSSNY-UHFFFAOYSA-N 1 2 249.314 1.178 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCc2nccnc2C1 ZINC000595862084 348383238 /nfs/dbraw/zinc/38/32/38/348383238.db2.gz CCGQEONYMHSSNY-UHFFFAOYSA-N 1 2 249.314 1.178 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C)CCCC1 ZINC000082687010 348355042 /nfs/dbraw/zinc/35/50/42/348355042.db2.gz JQBYJESRLICSTC-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595832101 348365614 /nfs/dbraw/zinc/36/56/14/348365614.db2.gz IEGVBPASNBVJKL-UHFFFAOYSA-N 1 2 238.287 1.417 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CC2CC1(C)C2 ZINC000595917270 348400319 /nfs/dbraw/zinc/40/03/19/348400319.db2.gz YLZOWFCTLBEVGE-KSGYAGIASA-N 1 2 246.310 1.780 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CC2CC1(C)C2 ZINC000595917270 348400321 /nfs/dbraw/zinc/40/03/21/348400321.db2.gz YLZOWFCTLBEVGE-KSGYAGIASA-N 1 2 246.310 1.780 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000596045585 348428792 /nfs/dbraw/zinc/42/87/92/348428792.db2.gz KHRKMWCIQGTOST-SFYZADRCSA-N 1 2 235.274 1.819 20 0 BDADLO Cc1nc(C)c(CN[C@H]2CCC[N@@H+](C)C2)o1 ZINC000311717108 349988247 /nfs/dbraw/zinc/98/82/47/349988247.db2.gz XELHVGLDMAGCQZ-NSHDSACASA-N 1 2 223.320 1.475 20 0 BDADLO Cc1nc(C)c(CN[C@H]2CCC[N@H+](C)C2)o1 ZINC000311717108 349988250 /nfs/dbraw/zinc/98/82/50/349988250.db2.gz XELHVGLDMAGCQZ-NSHDSACASA-N 1 2 223.320 1.475 20 0 BDADLO Cc1cc[nH+]c(N[C@@H](C)CO)c1Cl ZINC000306503836 179453921 /nfs/dbraw/zinc/45/39/21/179453921.db2.gz IFVJMRGGLBGRDE-ZETCQYMHSA-N 1 2 200.669 1.836 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000627373972 348499076 /nfs/dbraw/zinc/49/90/76/348499076.db2.gz GQOIGIBOXBTWMV-NXEZZACHSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000627373972 348499077 /nfs/dbraw/zinc/49/90/77/348499077.db2.gz GQOIGIBOXBTWMV-NXEZZACHSA-N 1 2 249.314 1.110 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC[C@H]3C[C@H]3C2)c1 ZINC000596509916 348572487 /nfs/dbraw/zinc/57/24/87/348572487.db2.gz KFPDIBDBRAPGHK-RYUDHWBXSA-N 1 2 246.310 1.643 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)CO)c(C)c[nH+]1 ZINC000536619246 323198675 /nfs/dbraw/zinc/19/86/75/323198675.db2.gz PSRIBSURQWFIHH-UHFFFAOYSA-N 1 2 237.303 1.013 20 0 BDADLO CSCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863237 348836093 /nfs/dbraw/zinc/83/60/93/348836093.db2.gz LSFBTJUBZIBHGC-UHFFFAOYSA-N 1 2 227.333 1.511 20 0 BDADLO CSCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863237 348836097 /nfs/dbraw/zinc/83/60/97/348836097.db2.gz LSFBTJUBZIBHGC-UHFFFAOYSA-N 1 2 227.333 1.511 20 0 BDADLO CSCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598459192 348976509 /nfs/dbraw/zinc/97/65/09/348976509.db2.gz DXTICLQSFYHCDY-MRVPVSSYSA-N 1 2 227.333 1.350 20 0 BDADLO CCCSCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460160 348977272 /nfs/dbraw/zinc/97/72/72/348977272.db2.gz RCYPXSWXGSQUQD-VIFPVBQESA-N 1 2 241.360 1.741 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N2CCCC2)o1 ZINC000042978252 348988588 /nfs/dbraw/zinc/98/85/88/348988588.db2.gz UTUACRWFGCQILV-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCCC2)o1 ZINC000042978252 348988591 /nfs/dbraw/zinc/98/85/91/348988591.db2.gz UTUACRWFGCQILV-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345657 349083809 /nfs/dbraw/zinc/08/38/09/349083809.db2.gz ZJVXVFMQFUMCSJ-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345657 349083812 /nfs/dbraw/zinc/08/38/12/349083812.db2.gz ZJVXVFMQFUMCSJ-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000421767361 192381121 /nfs/dbraw/zinc/38/11/21/192381121.db2.gz KLNILOHTZXFVSS-UHFFFAOYSA-N 1 2 246.314 1.663 20 0 BDADLO Cc1nc(NCC2CC2)nc(NCC2CC2)[nH+]1 ZINC000201579190 349098134 /nfs/dbraw/zinc/09/81/34/349098134.db2.gz NSSRFISKBQFPMG-UHFFFAOYSA-N 1 2 233.319 1.824 20 0 BDADLO Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@H]3C)[nH+]c12 ZINC000599255134 349131129 /nfs/dbraw/zinc/13/11/29/349131129.db2.gz UYHSKXLTBYOWLI-CMPLNLGQSA-N 1 2 243.310 1.915 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](OCC)C1CC1 ZINC000599281427 349139357 /nfs/dbraw/zinc/13/93/57/349139357.db2.gz TYYCBIMKTTULAP-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000421781992 192385842 /nfs/dbraw/zinc/38/58/42/192385842.db2.gz ZYPLVWXXJZZWHS-UHFFFAOYSA-N 1 2 246.314 1.929 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]1C ZINC000382198888 349180277 /nfs/dbraw/zinc/18/02/77/349180277.db2.gz DLHFXCWRRHPOLP-MXWKQRLJSA-N 1 2 213.321 1.962 20 0 BDADLO CO[C@H](C)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599650595 349234584 /nfs/dbraw/zinc/23/45/84/349234584.db2.gz UAMVJXSNXQHVTK-SECBINFHSA-N 1 2 231.336 1.731 20 0 BDADLO C[C@@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599653896 349235483 /nfs/dbraw/zinc/23/54/83/349235483.db2.gz WVLHHWABBRZHFH-MRVPVSSYSA-N 1 2 217.309 1.077 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000187678939 538033233 /nfs/dbraw/zinc/03/32/33/538033233.db2.gz JXDQCNUQIYIGKI-SWPVVBRQSA-N 1 2 223.320 1.528 20 0 BDADLO CSC[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601574986 349302133 /nfs/dbraw/zinc/30/21/33/349302133.db2.gz SWEXNSDQOONBNC-MRVPVSSYSA-N 1 2 242.348 1.303 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cscn1 ZINC000161153667 349394398 /nfs/dbraw/zinc/39/43/98/349394398.db2.gz QRMPGHNDYDXZGD-DTWKUNHWSA-N 1 2 239.344 1.462 20 0 BDADLO Cc1nc(N2CCC(C3CC3)CC2)nc(N)[nH+]1 ZINC000631280894 349361886 /nfs/dbraw/zinc/36/18/86/349361886.db2.gz ZCJUZFNQKGYFFE-UHFFFAOYSA-N 1 2 233.319 1.219 20 0 BDADLO Cc1nc(N)nc(N2CCC(C3CC3)CC2)[nH+]1 ZINC000631280894 349361888 /nfs/dbraw/zinc/36/18/88/349361888.db2.gz ZCJUZFNQKGYFFE-UHFFFAOYSA-N 1 2 233.319 1.219 20 0 BDADLO COCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785681 350032726 /nfs/dbraw/zinc/03/27/26/350032726.db2.gz VATOMOOTFFUNDL-UHFFFAOYSA-N 1 2 233.271 1.699 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1C ZINC000603791202 350027363 /nfs/dbraw/zinc/02/73/63/350027363.db2.gz ODWNUTUFAFSKEI-SCZZXKLOSA-N 1 2 204.273 1.660 20 0 BDADLO Cn1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000603809242 350036732 /nfs/dbraw/zinc/03/67/32/350036732.db2.gz WJYXLPMCPGZDBR-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO O=C(C[C@@H]1CCCO1)Nc1ccc2[nH+]ccn2c1 ZINC000603809268 350036908 /nfs/dbraw/zinc/03/69/08/350036908.db2.gz XGQWQRNOPISPGJ-NSHDSACASA-N 1 2 245.282 1.842 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc[nH]c1 ZINC000603883798 350048135 /nfs/dbraw/zinc/04/81/35/350048135.db2.gz JWJWPQPUHCVQEO-UHFFFAOYSA-N 1 2 226.239 1.915 20 0 BDADLO Cn1c[nH+]c2c1CCN(C(=O)N[C@@H]1CC1(C)C)C2 ZINC000603984720 350065075 /nfs/dbraw/zinc/06/50/75/350065075.db2.gz XHAFCWWXFGPYQU-LLVKDONJSA-N 1 2 248.330 1.286 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@H]2CCCO2)[nH+]1 ZINC000329450951 179998251 /nfs/dbraw/zinc/99/82/51/179998251.db2.gz DQBIIEVOMSKYQA-SNVBAGLBSA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](CO)[C@@H]2C)[nH+]1 ZINC000362685032 180003976 /nfs/dbraw/zinc/00/39/76/180003976.db2.gz QWLHLVIGAQWYTF-WCBMZHEXSA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCSC2)[nH+]1 ZINC000309590946 180025693 /nfs/dbraw/zinc/02/56/93/180025693.db2.gz UTNTWKDLBWJTTM-QMMMGPOBSA-N 1 2 239.348 1.163 20 0 BDADLO Cc1nc(N[C@H]2CCSC2)nc(N(C)C)[nH+]1 ZINC000309590946 180025694 /nfs/dbraw/zinc/02/56/94/180025694.db2.gz UTNTWKDLBWJTTM-QMMMGPOBSA-N 1 2 239.348 1.163 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1c(C)noc1C ZINC000051791815 350116819 /nfs/dbraw/zinc/11/68/19/350116819.db2.gz ILVWNBXNURGMFE-UHFFFAOYSA-N 1 2 239.319 1.202 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1c(C)noc1C ZINC000051791815 350116822 /nfs/dbraw/zinc/11/68/22/350116822.db2.gz ILVWNBXNURGMFE-UHFFFAOYSA-N 1 2 239.319 1.202 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](C)O)no1 ZINC000369388684 180041153 /nfs/dbraw/zinc/04/11/53/180041153.db2.gz HGWQPGWHRGZMPV-WPRPVWTQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](C)O)no1 ZINC000369388684 180041155 /nfs/dbraw/zinc/04/11/55/180041155.db2.gz HGWQPGWHRGZMPV-WPRPVWTQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)no1 ZINC000371381750 180043199 /nfs/dbraw/zinc/04/31/99/180043199.db2.gz WBILDTOWUZOERC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)no1 ZINC000371381750 180043200 /nfs/dbraw/zinc/04/32/00/180043200.db2.gz WBILDTOWUZOERC-SNVBAGLBSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nnc([C@@H]2CC[N@H+](Cc3nccs3)C2)[nH]1 ZINC000333099512 180044876 /nfs/dbraw/zinc/04/48/76/180044876.db2.gz DPPPKZRIZNDFKT-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3nccs3)C2)[nH]1 ZINC000333099512 180044878 /nfs/dbraw/zinc/04/48/78/180044878.db2.gz DPPPKZRIZNDFKT-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3nccs3)C2)n1 ZINC000333099512 180044879 /nfs/dbraw/zinc/04/48/79/180044879.db2.gz DPPPKZRIZNDFKT-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3nccs3)C2)n1 ZINC000333099512 180044882 /nfs/dbraw/zinc/04/48/82/180044882.db2.gz DPPPKZRIZNDFKT-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3nccs3)C2)n[nH]1 ZINC000333099512 180044884 /nfs/dbraw/zinc/04/48/84/180044884.db2.gz DPPPKZRIZNDFKT-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3nccs3)C2)n[nH]1 ZINC000333099512 180044886 /nfs/dbraw/zinc/04/48/86/180044886.db2.gz DPPPKZRIZNDFKT-SECBINFHSA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCCC[C@H](CO)C2)no1 ZINC000368124371 180047061 /nfs/dbraw/zinc/04/70/61/180047061.db2.gz QWVYSPOYONGRPM-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCCC[C@H](CO)C2)no1 ZINC000368124371 180047064 /nfs/dbraw/zinc/04/70/64/180047064.db2.gz QWVYSPOYONGRPM-ONGXEEELSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)no1 ZINC000361589928 180047381 /nfs/dbraw/zinc/04/73/81/180047381.db2.gz IHGAHOCBBFDDOB-ONGXEEELSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](n3cccn3)C2)no1 ZINC000361589928 180047382 /nfs/dbraw/zinc/04/73/82/180047382.db2.gz IHGAHOCBBFDDOB-ONGXEEELSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@]2(C)CCO[C@H]2C)no1 ZINC000336744252 180051351 /nfs/dbraw/zinc/05/13/51/180051351.db2.gz PZEFFZGTNIAEMU-LAEOZQHASA-N 1 2 225.292 1.596 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)no1 ZINC000329171282 180051360 /nfs/dbraw/zinc/05/13/60/180051360.db2.gz JZOQKSLTDVUIOF-LKEWCRSYSA-N 1 2 211.265 1.206 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)no1 ZINC000308916050 180051963 /nfs/dbraw/zinc/05/19/63/180051963.db2.gz BFJJXQNZUZKMRS-ZKWXMUAHSA-N 1 2 227.333 1.780 20 0 BDADLO Cc1nc(N2C[C@@H](C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000359729800 180067094 /nfs/dbraw/zinc/06/70/94/180067094.db2.gz OARHBHDLAOCMPK-RNCFNFMXSA-N 1 2 247.342 1.481 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CC[C@H](O)C2)[nH+]1 ZINC000352614430 180060007 /nfs/dbraw/zinc/06/00/07/180060007.db2.gz XONDHLZGRCMWSF-UWVGGRQHSA-N 1 2 246.314 1.261 20 0 BDADLO Cc1nc(N2CC[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000268019141 180067438 /nfs/dbraw/zinc/06/74/38/180067438.db2.gz WJEKDOLVSYTHOB-JTQLQIEISA-N 1 2 233.315 1.235 20 0 BDADLO Cc1cc(C(=O)C[N@H+](C)CCCO)c(C)n1C ZINC000304180900 350147326 /nfs/dbraw/zinc/14/73/26/350147326.db2.gz MHHVAGVDFZQLGV-UHFFFAOYSA-N 1 2 238.331 1.139 20 0 BDADLO Cc1cc(C(=O)C[N@@H+](C)CCCO)c(C)n1C ZINC000304180900 350147330 /nfs/dbraw/zinc/14/73/30/350147330.db2.gz MHHVAGVDFZQLGV-UHFFFAOYSA-N 1 2 238.331 1.139 20 0 BDADLO Cc1nc(N(C)CC[C@H](C)O)c2c([nH+]1)CCCC2 ZINC000272941489 180068399 /nfs/dbraw/zinc/06/83/99/180068399.db2.gz WWTXJUJGGKQWHA-JTQLQIEISA-N 1 2 249.358 1.871 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H]2O)c2c([nH+]1)CCCC2 ZINC000302046631 180070069 /nfs/dbraw/zinc/07/00/69/180070069.db2.gz LEGZYDCCJUFBCY-CHWSQXEVSA-N 1 2 247.342 1.989 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccc(O)c1 ZINC000093055368 191035108 /nfs/dbraw/zinc/03/51/08/191035108.db2.gz RZLJOZICSVYEMV-ZDUSSCGKSA-N 1 2 248.326 1.349 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(O)c1 ZINC000093055368 191035113 /nfs/dbraw/zinc/03/51/13/191035113.db2.gz RZLJOZICSVYEMV-ZDUSSCGKSA-N 1 2 248.326 1.349 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cncs1 ZINC000093054636 191035295 /nfs/dbraw/zinc/03/52/95/191035295.db2.gz MZWCHKUXXZCDPC-JTQLQIEISA-N 1 2 239.344 1.100 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cncs1 ZINC000093054636 191035299 /nfs/dbraw/zinc/03/52/99/191035299.db2.gz MZWCHKUXXZCDPC-JTQLQIEISA-N 1 2 239.344 1.100 20 0 BDADLO CCC[C@@H]([NH2+]CC(C)(C)OC)C(=O)OCC ZINC000133061952 191036376 /nfs/dbraw/zinc/03/63/76/191036376.db2.gz HWIRDGBRIYCXGL-SNVBAGLBSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1nc2n(c1C)CC[N@@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000376612645 180109164 /nfs/dbraw/zinc/10/91/64/180109164.db2.gz WMFFWEFBKINRDY-QWHCGFSZSA-N 1 2 249.358 1.619 20 0 BDADLO Cc1nc2n(c1C)CC[N@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000376612645 180109167 /nfs/dbraw/zinc/10/91/67/180109167.db2.gz WMFFWEFBKINRDY-QWHCGFSZSA-N 1 2 249.358 1.619 20 0 BDADLO Cc1[nH+]c2n(c1C)CCN([C@H]1CCCC[C@H]1O)C2 ZINC000376612645 180109169 /nfs/dbraw/zinc/10/91/69/180109169.db2.gz WMFFWEFBKINRDY-QWHCGFSZSA-N 1 2 249.358 1.619 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc[nH]n1 ZINC000093340356 191037716 /nfs/dbraw/zinc/03/77/16/191037716.db2.gz BLETVAJKWKVZCK-LBPRGKRZSA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc[nH]n1 ZINC000093340356 191037718 /nfs/dbraw/zinc/03/77/18/191037718.db2.gz BLETVAJKWKVZCK-LBPRGKRZSA-N 1 2 223.320 1.657 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)NCCF ZINC000281927449 180103093 /nfs/dbraw/zinc/10/30/93/180103093.db2.gz WLVPILQFNQYMDM-UHFFFAOYSA-N 1 2 235.262 1.430 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H](C)C(F)(F)F)c[nH+]1 ZINC000356418495 180129518 /nfs/dbraw/zinc/12/95/18/180129518.db2.gz XRLRSSATTGRVTR-YFKPBYRVSA-N 1 2 235.209 1.646 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c[nH+]1 ZINC000333088777 180134295 /nfs/dbraw/zinc/13/42/95/180134295.db2.gz SDSGLCSLWFVQEW-FXPVBKGRSA-N 1 2 235.287 1.015 20 0 BDADLO CCc1ccc(C[NH+]2CC(O)(COC)C2)s1 ZINC000384077565 350178423 /nfs/dbraw/zinc/17/84/23/350178423.db2.gz QXGOCLSHFZFURA-UHFFFAOYSA-N 1 2 241.356 1.504 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1 ZINC000336624964 180118498 /nfs/dbraw/zinc/11/84/98/180118498.db2.gz LWFNPZHYVIIAJK-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]1C(F)F ZINC000338224174 180118734 /nfs/dbraw/zinc/11/87/34/180118734.db2.gz DBBGGHNYHUEYOE-RNFRBKRXSA-N 1 2 229.230 1.236 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC=CCC1 ZINC000336321074 180120238 /nfs/dbraw/zinc/12/02/38/180120238.db2.gz MEWPQRFWXLQWRM-SNVBAGLBSA-N 1 2 219.288 1.691 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@@H]1c1ccco1 ZINC000604886707 350194371 /nfs/dbraw/zinc/19/43/71/350194371.db2.gz ODHKWIBJWMNHIU-LLVKDONJSA-N 1 2 247.298 1.587 20 0 BDADLO CCC(=O)N1CC[N@H+](CCSC(C)C)C1 ZINC000425507608 538068159 /nfs/dbraw/zinc/06/81/59/538068159.db2.gz FFXYKYCBEDILGD-UHFFFAOYSA-N 1 2 230.377 1.640 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCSC(C)C)C1 ZINC000425507608 538068165 /nfs/dbraw/zinc/06/81/65/538068165.db2.gz FFXYKYCBEDILGD-UHFFFAOYSA-N 1 2 230.377 1.640 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)s1 ZINC000191781557 180147004 /nfs/dbraw/zinc/14/70/04/180147004.db2.gz AXMHCKRRDWVIPZ-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)s1 ZINC000191781557 180147006 /nfs/dbraw/zinc/14/70/06/180147006.db2.gz AXMHCKRRDWVIPZ-WPRPVWTQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncc(C[NH2+]CN2CCC(=O)CC2)s1 ZINC000275808825 180152098 /nfs/dbraw/zinc/15/20/98/180152098.db2.gz PSWFGFRTAKVXNV-UHFFFAOYSA-N 1 2 239.344 1.164 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H](O)CCC(C)C)C(=O)OC ZINC000428293026 191077559 /nfs/dbraw/zinc/07/75/59/191077559.db2.gz FCTXMGBPBIOBHP-AAEUAGOBSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1nc(N2CC[C@](O)(C(F)(F)F)C2)cc[nH+]1 ZINC000078299933 180195195 /nfs/dbraw/zinc/19/51/95/180195195.db2.gz BMUYVXLJMBFFRP-SECBINFHSA-N 1 2 247.220 1.289 20 0 BDADLO Cc1nc(NCC2([S@](C)=O)CC2)cc[nH+]1 ZINC000281451650 180197558 /nfs/dbraw/zinc/19/75/58/180197558.db2.gz AIIWUUMXCGNXQO-HNNXBMFYSA-N 1 2 225.317 1.108 20 0 BDADLO Cc1nc(NCC(=O)N2CCCCC2)cc[nH+]1 ZINC000134778481 180199460 /nfs/dbraw/zinc/19/94/60/180199460.db2.gz MIHLZSZDAAGTID-UHFFFAOYSA-N 1 2 234.303 1.209 20 0 BDADLO Cc1nnc(CCNc2cc[nH+]c(C)n2)s1 ZINC000291156684 180201270 /nfs/dbraw/zinc/20/12/70/180201270.db2.gz PPAWJKNFJOUXJN-UHFFFAOYSA-N 1 2 235.316 1.600 20 0 BDADLO Cc1nc(N[C@@H]2CC(=O)N3CCCC[C@@H]23)cc[nH+]1 ZINC000374581381 180202921 /nfs/dbraw/zinc/20/29/21/180202921.db2.gz AUBRSRHOVFBOAU-MNOVXSKESA-N 1 2 246.314 1.350 20 0 BDADLO Cc1nc(CNc2cc[nH+]c(C)n2)no1 ZINC000078263836 180203156 /nfs/dbraw/zinc/20/31/56/180203156.db2.gz OINZGAZKMQUZAR-UHFFFAOYSA-N 1 2 205.221 1.089 20 0 BDADLO Cc1nc(N[C@H](CO)C(C)(C)C)cc[nH+]1 ZINC000268511926 180206178 /nfs/dbraw/zinc/20/61/78/180206178.db2.gz WUZYPAAMWNIHBZ-SECBINFHSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1nccc(CN2CCc3c([nH+]cn3C)C2)n1 ZINC000373645846 180185659 /nfs/dbraw/zinc/18/56/59/180185659.db2.gz FTJOZYXBDBAWBZ-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345760099 133795014 /nfs/dbraw/zinc/79/50/14/133795014.db2.gz MQJBPIGENCCLSM-IVZWLZJFSA-N 1 2 248.317 1.925 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371335955 180221441 /nfs/dbraw/zinc/22/14/41/180221441.db2.gz MTXGWPGSLJKURJ-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ncccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371335955 180221443 /nfs/dbraw/zinc/22/14/43/180221443.db2.gz MTXGWPGSLJKURJ-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cnc([C@H](C)N(C)Cc2[nH+]ccn2C)cn1 ZINC000428308579 191081316 /nfs/dbraw/zinc/08/13/16/191081316.db2.gz IIXHMWBHMONJIK-NSHDSACASA-N 1 2 245.330 1.712 20 0 BDADLO Cc1nccnc1N(C)Cc1[nH+]ccn1C ZINC000290434745 180275535 /nfs/dbraw/zinc/27/55/35/180275535.db2.gz BDWIDIRPARNVTO-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO Cc1cc(C)c(CNC(=O)N2CC=CC2)c[nH+]1 ZINC000637205045 350271720 /nfs/dbraw/zinc/27/17/20/350271720.db2.gz CEESSXFKYXZTBV-UHFFFAOYSA-N 1 2 231.299 1.780 20 0 BDADLO Cc1cc(C)c(CNC(=O)NC2(C)COC2)c[nH+]1 ZINC000637206368 350271788 /nfs/dbraw/zinc/27/17/88/350271788.db2.gz RGPHACOAGQKXRI-UHFFFAOYSA-N 1 2 249.314 1.287 20 0 BDADLO Cc1ncsc1C[N@H+](C)CC1OCCO1 ZINC000182258501 180313550 /nfs/dbraw/zinc/31/35/50/180313550.db2.gz FXPIVAOWJRYGMG-UHFFFAOYSA-N 1 2 228.317 1.256 20 0 BDADLO Cc1ncsc1C[N@@H+](C)CC1OCCO1 ZINC000182258501 180313552 /nfs/dbraw/zinc/31/35/52/180313552.db2.gz FXPIVAOWJRYGMG-UHFFFAOYSA-N 1 2 228.317 1.256 20 0 BDADLO Cc1ncsc1C[NH+]1CC(n2ccnn2)C1 ZINC000355040187 180316136 /nfs/dbraw/zinc/31/61/36/180316136.db2.gz HIMINPSQHBHEHW-UHFFFAOYSA-N 1 2 235.316 1.100 20 0 BDADLO Cc1ncsc1C(=O)NCc1[nH]c[nH+]c1C ZINC000266966741 180304789 /nfs/dbraw/zinc/30/47/89/180304789.db2.gz JZNMIEBFIOBPPD-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1ncsc1C(=O)Nc1cc[nH+]cc1O ZINC000109889348 180306543 /nfs/dbraw/zinc/30/65/43/180306543.db2.gz AXRYQADBHDFOTD-UHFFFAOYSA-N 1 2 235.268 1.804 20 0 BDADLO CCOC(=O)C[NH+]1CCC(OCC)CC1 ZINC000040689609 350395595 /nfs/dbraw/zinc/39/55/95/350395595.db2.gz OQLDHQFZBHCMIH-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO Cc1nn(C)c(C)c1N[C@H]1CCn2cc[nH+]c21 ZINC000293584541 180345801 /nfs/dbraw/zinc/34/58/01/180345801.db2.gz AYXAJSMERXDZSM-JTQLQIEISA-N 1 2 231.303 1.790 20 0 BDADLO CC1CC(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637293004 350407873 /nfs/dbraw/zinc/40/78/73/350407873.db2.gz IHTUQVGUNVZGDA-VQXHTEKXSA-N 1 2 248.330 1.153 20 0 BDADLO CCCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427987274 191104117 /nfs/dbraw/zinc/10/41/17/191104117.db2.gz AUEPSUGGSGRCQI-LLVKDONJSA-N 1 2 235.331 1.894 20 0 BDADLO CC[C@@H](NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000336646354 350416142 /nfs/dbraw/zinc/41/61/42/350416142.db2.gz CSJVDXYTLPIZIQ-ZCFIWIBFSA-N 1 2 207.199 1.840 20 0 BDADLO CCc1nc(C[N@H+](C)CCCSC)no1 ZINC000336692883 350449329 /nfs/dbraw/zinc/44/93/29/350449329.db2.gz ANCUXFGAWGHNJE-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1nc(C[N@@H+](C)CCCSC)no1 ZINC000336692883 350449333 /nfs/dbraw/zinc/44/93/33/350449333.db2.gz ANCUXFGAWGHNJE-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427992746 191104983 /nfs/dbraw/zinc/10/49/83/191104983.db2.gz MTTDXDJKRHQXQP-JTQLQIEISA-N 1 2 221.304 1.504 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1cnccn1 ZINC000631348205 350470998 /nfs/dbraw/zinc/47/09/98/350470998.db2.gz QFWNMNYVLSEUEY-VIFPVBQESA-N 1 2 241.298 1.739 20 0 BDADLO CCC[C@@H](O)CNc1nc(C)[nH+]cc1C ZINC000564010095 323351901 /nfs/dbraw/zinc/35/19/01/323351901.db2.gz NTAYREHCAGZKGX-SNVBAGLBSA-N 1 2 209.293 1.088 20 0 BDADLO CC[N@H+](Cc1nc(C(C)C)no1)[C@H]1CCOC1 ZINC000336720574 350476940 /nfs/dbraw/zinc/47/69/40/350476940.db2.gz SDTLLNKIMULFER-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@@H+](Cc1nc(C(C)C)no1)[C@H]1CCOC1 ZINC000336720574 350476944 /nfs/dbraw/zinc/47/69/44/350476944.db2.gz SDTLLNKIMULFER-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CN(C)c1ccc(Nc2cnccn2)c[nH+]1 ZINC000642226410 362962260 /nfs/dbraw/zinc/96/22/60/362962260.db2.gz BGDOZTDELDZXLS-UHFFFAOYSA-N 1 2 215.260 1.103 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](F)C2)[nH]1 ZINC000580336591 350511633 /nfs/dbraw/zinc/51/16/33/350511633.db2.gz SZYOPCATXDLRCR-VIFPVBQESA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](F)C2)[nH]1 ZINC000580336591 350511637 /nfs/dbraw/zinc/51/16/37/350511637.db2.gz SZYOPCATXDLRCR-VIFPVBQESA-N 1 2 240.278 1.735 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCOC1=O)[C@@H]1COc2ccccc21 ZINC000163004542 350494175 /nfs/dbraw/zinc/49/41/75/350494175.db2.gz VHIBKXPZAAVWBA-ZMLRMANQSA-N 1 2 247.294 1.456 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337417142 350582289 /nfs/dbraw/zinc/58/22/89/350582289.db2.gz RXLYPJIZSKXTKV-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337417142 350582292 /nfs/dbraw/zinc/58/22/92/350582292.db2.gz RXLYPJIZSKXTKV-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc[nH+]c(C3CC3)n2)[nH]1 ZINC000286567050 180442129 /nfs/dbraw/zinc/44/21/29/180442129.db2.gz PWSLRYIBRGSALT-SSDOTTSWSA-N 1 2 244.302 1.954 20 0 BDADLO FC(F)(F)[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000606898412 350619916 /nfs/dbraw/zinc/61/99/16/350619916.db2.gz GMCMIYGMOSSEBS-DTWKUNHWSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000606898412 350619920 /nfs/dbraw/zinc/61/99/20/350619920.db2.gz GMCMIYGMOSSEBS-DTWKUNHWSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000606895439 350620750 /nfs/dbraw/zinc/62/07/50/350620750.db2.gz ZTJCHCPTYMUDPN-MRVPVSSYSA-N 1 2 232.205 1.849 20 0 BDADLO Cc1ccsc1C[N@@H+](C)Cc1ncnn1C ZINC000157422571 191116801 /nfs/dbraw/zinc/11/68/01/191116801.db2.gz HALKBMSNOLJNHU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccsc1C[N@H+](C)Cc1ncnn1C ZINC000157422571 191116804 /nfs/dbraw/zinc/11/68/04/191116804.db2.gz HALKBMSNOLJNHU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO C/C=C/CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000637489347 350651757 /nfs/dbraw/zinc/65/17/57/350651757.db2.gz WOSGPRCTDSLZOD-JDGPPOGSSA-N 1 2 248.330 1.806 20 0 BDADLO CC[N@H+](Cc1cccs1)Cc1nnnn1C ZINC000356029146 350670720 /nfs/dbraw/zinc/67/07/20/350670720.db2.gz NWBPTTLDOHAAMF-UHFFFAOYSA-N 1 2 237.332 1.294 20 0 BDADLO CC[N@@H+](Cc1cccs1)Cc1nnnn1C ZINC000356029146 350670725 /nfs/dbraw/zinc/67/07/25/350670725.db2.gz NWBPTTLDOHAAMF-UHFFFAOYSA-N 1 2 237.332 1.294 20 0 BDADLO CCC[C@@H](C(=O)OCC)[NH+]1CCSCC1 ZINC000096593464 350679135 /nfs/dbraw/zinc/67/91/35/350679135.db2.gz WGMXMCRUIFQOMJ-JTQLQIEISA-N 1 2 231.361 1.767 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CC[S@]1=O ZINC000361318770 191117811 /nfs/dbraw/zinc/11/78/11/191117811.db2.gz PIPQVSVUQYMSHP-ABYLEIOUSA-N 1 2 249.379 1.995 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)CC[S@]1=O ZINC000361318770 191117812 /nfs/dbraw/zinc/11/78/12/191117812.db2.gz PIPQVSVUQYMSHP-ABYLEIOUSA-N 1 2 249.379 1.995 20 0 BDADLO FC(F)(F)[C@H]1C[C@H](Nc2c[nH]c[nH+]2)CCO1 ZINC000309528736 350701812 /nfs/dbraw/zinc/70/18/12/350701812.db2.gz CTEPPCDUPKFVBQ-RNFRBKRXSA-N 1 2 235.209 1.932 20 0 BDADLO Nc1[nH+]cnc(N2C[C@@H]3C[C@H]2CS3)c1Cl ZINC000563312458 350817449 /nfs/dbraw/zinc/81/74/49/350817449.db2.gz NRWDTCOVUGJMJD-WDSKDSINSA-N 1 2 242.735 1.406 20 0 BDADLO CC[N@H+](Cc1csc(COC)n1)[C@H](C)CO ZINC000339631368 350770453 /nfs/dbraw/zinc/77/04/53/350770453.db2.gz WBNSREPPBQXMGV-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO CC[N@@H+](Cc1csc(COC)n1)[C@H](C)CO ZINC000339631368 350770455 /nfs/dbraw/zinc/77/04/55/350770455.db2.gz WBNSREPPBQXMGV-SECBINFHSA-N 1 2 244.360 1.492 20 0 BDADLO CCc1cc(N[C@H]2CC[C@H](O)CC2)nc[nH+]1 ZINC000252701445 538099628 /nfs/dbraw/zinc/09/96/28/538099628.db2.gz DFJUOOOKYJIHSV-XYPYZODXSA-N 1 2 221.304 1.754 20 0 BDADLO COC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000616617247 350863255 /nfs/dbraw/zinc/86/32/55/350863255.db2.gz KRURDOYGIDNCPB-VIFPVBQESA-N 1 2 209.249 1.286 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000052073632 350929104 /nfs/dbraw/zinc/92/91/04/350929104.db2.gz PXAFERQSEVGACB-SNVBAGLBSA-N 1 2 238.306 1.955 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052073632 350929108 /nfs/dbraw/zinc/92/91/08/350929108.db2.gz PXAFERQSEVGACB-SNVBAGLBSA-N 1 2 238.306 1.955 20 0 BDADLO Clc1cscc1C[NH2+]Cc1cnn[nH]1 ZINC000623578200 363009998 /nfs/dbraw/zinc/00/99/98/363009998.db2.gz ZJMRTYXHFRVZDG-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO CCc1nnc(C[NH+]2CCC(O)CC2)s1 ZINC000680046449 487527479 /nfs/dbraw/zinc/52/74/79/487527479.db2.gz YTYXRCGRIXSHJV-UHFFFAOYSA-N 1 2 227.333 1.057 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)OC3(CCC3)C2)[nH+]1 ZINC000628323102 351212572 /nfs/dbraw/zinc/21/25/72/351212572.db2.gz ZXIKZILLPGJTBN-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000379994774 351307396 /nfs/dbraw/zinc/30/73/96/351307396.db2.gz VKVIIPONAMLCFI-QXFUBDJGSA-N 1 2 235.335 1.829 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H](C)[C@H](C)C2)[nH+]1 ZINC000379994774 351307400 /nfs/dbraw/zinc/30/74/00/351307400.db2.gz VKVIIPONAMLCFI-QXFUBDJGSA-N 1 2 235.335 1.829 20 0 BDADLO CC1(C)C[N@H+](Cc2ncc[nH]2)CCS1 ZINC000267596969 351316548 /nfs/dbraw/zinc/31/65/48/351316548.db2.gz KTSZVPPLULZSAM-UHFFFAOYSA-N 1 2 211.334 1.737 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)CCS1 ZINC000267596969 351316552 /nfs/dbraw/zinc/31/65/52/351316552.db2.gz KTSZVPPLULZSAM-UHFFFAOYSA-N 1 2 211.334 1.737 20 0 BDADLO CCN(Cc1[nH+]ccn1C)Cc1ccncc1 ZINC000267972801 351325054 /nfs/dbraw/zinc/32/50/54/351325054.db2.gz ZXZAGQFWRLHKST-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@H+](Cc1nccn1C)Cc1ccncc1 ZINC000267972801 351325061 /nfs/dbraw/zinc/32/50/61/351325061.db2.gz ZXZAGQFWRLHKST-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1nccn1C)Cc1ccncc1 ZINC000267972801 351325065 /nfs/dbraw/zinc/32/50/65/351325065.db2.gz ZXZAGQFWRLHKST-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CCCCc1cc(NCCCCO)nc[nH+]1 ZINC000631251228 351391075 /nfs/dbraw/zinc/39/10/75/351391075.db2.gz VPOJCRBPKGMZNJ-UHFFFAOYSA-N 1 2 223.320 1.426 20 0 BDADLO C[C@@H]([NH2+]Cc1ccns1)c1nccn1C ZINC000404354144 351399714 /nfs/dbraw/zinc/39/97/14/351399714.db2.gz MDGBGIQRXGVHDZ-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CCc1cc(NCc2ccns2)nc[nH+]1 ZINC000404301937 351349389 /nfs/dbraw/zinc/34/93/89/351349389.db2.gz ACDWTJWWJAYOLA-UHFFFAOYSA-N 1 2 220.301 1.530 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccco1 ZINC000607446878 351459897 /nfs/dbraw/zinc/45/98/97/351459897.db2.gz COHRSPGNYOPOSC-SNVBAGLBSA-N 1 2 233.271 1.396 20 0 BDADLO CCN1CCC[N@H+](Cc2cncs2)CC1=O ZINC000276168583 351611715 /nfs/dbraw/zinc/61/17/15/351611715.db2.gz IWJRSUGIDDCDDS-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CCN1CCC[N@@H+](Cc2cncs2)CC1=O ZINC000276168583 351611719 /nfs/dbraw/zinc/61/17/19/351611719.db2.gz IWJRSUGIDDCDDS-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000618857376 351642296 /nfs/dbraw/zinc/64/22/96/351642296.db2.gz DZNPPYVHHBQVOT-SKDRFNHKSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000618857376 351642298 /nfs/dbraw/zinc/64/22/98/351642298.db2.gz DZNPPYVHHBQVOT-SKDRFNHKSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1cccnc1NC(=O)CCc1c[nH+]cn1C ZINC000276541797 351630070 /nfs/dbraw/zinc/63/00/70/351630070.db2.gz JBMBGVWFRKLGMV-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO CCO[C@H]1C[C@@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000577701885 366038085 /nfs/dbraw/zinc/03/80/85/366038085.db2.gz GJLYENAXWXWWQU-QWRGUYRKSA-N 1 2 235.287 1.111 20 0 BDADLO COc1ccc(NC(=O)Cn2cc[nH+]c2)cc1F ZINC000577807838 366063998 /nfs/dbraw/zinc/06/39/98/366063998.db2.gz YLWVNMAVAARTNG-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000278731928 351779250 /nfs/dbraw/zinc/77/92/50/351779250.db2.gz UINCKWHSISLATD-LLVKDONJSA-N 1 2 235.331 1.909 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2Cc2cnccn2)[nH]1 ZINC000577811165 366067536 /nfs/dbraw/zinc/06/75/36/366067536.db2.gz BMBYMYBAGNXDJW-LBPRGKRZSA-N 1 2 243.314 1.927 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccco1 ZINC000607629381 351787395 /nfs/dbraw/zinc/78/73/95/351787395.db2.gz XYRGJZCHNGNMTP-QWRGUYRKSA-N 1 2 247.298 1.785 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccco1 ZINC000607651345 351825024 /nfs/dbraw/zinc/82/50/24/351825024.db2.gz SCUQHHOHTHKRIF-JTQLQIEISA-N 1 2 245.282 1.663 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CCOc3ccccc32)nn1 ZINC000054859932 180651570 /nfs/dbraw/zinc/65/15/70/180651570.db2.gz HPPXYSOFNZTREE-GFCCVEGCSA-N 1 2 244.298 1.429 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000618867748 351858933 /nfs/dbraw/zinc/85/89/33/351858933.db2.gz YKZLZRXCGOMPCN-NEPJUHHUSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000618867750 351859122 /nfs/dbraw/zinc/85/91/22/351859122.db2.gz YKZLZRXCGOMPCN-RYUDHWBXSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1cc(C[NH2+][C@H]2COc3ccc(F)cc32)nn1 ZINC000341491837 180652032 /nfs/dbraw/zinc/65/20/32/180652032.db2.gz KOAFWARFCMEJEO-NSHDSACASA-N 1 2 248.261 1.178 20 0 BDADLO C[N@H+](Cc1cscn1)Cc1ccc(=O)[nH]c1 ZINC000637972929 351847815 /nfs/dbraw/zinc/84/78/15/351847815.db2.gz FGMBWHKYSLNKJV-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO C[N@@H+](Cc1cscn1)Cc1ccc(=O)[nH]c1 ZINC000637972929 351847818 /nfs/dbraw/zinc/84/78/18/351847818.db2.gz FGMBWHKYSLNKJV-UHFFFAOYSA-N 1 2 235.312 1.876 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)Cc1cn[nH]c1 ZINC000638081909 351955033 /nfs/dbraw/zinc/95/50/33/351955033.db2.gz AOEDLPNZQXIAEQ-LBPRGKRZSA-N 1 2 245.330 1.726 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000638081909 351955035 /nfs/dbraw/zinc/95/50/35/351955035.db2.gz AOEDLPNZQXIAEQ-LBPRGKRZSA-N 1 2 245.330 1.726 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000638084725 351959518 /nfs/dbraw/zinc/95/95/18/351959518.db2.gz LKQHHGSLXXYGMW-NTZNESFSSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000638084725 351959520 /nfs/dbraw/zinc/95/95/20/351959520.db2.gz LKQHHGSLXXYGMW-NTZNESFSSA-N 1 2 249.358 1.980 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CCn2nc(C)nc2C1)OC ZINC000638091514 351969143 /nfs/dbraw/zinc/96/91/43/351969143.db2.gz WVHYZXPEHJFFPR-LBPRGKRZSA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@@](C)(C[N@H+]1CCn2nc(C)nc2C1)OC ZINC000638091514 351969146 /nfs/dbraw/zinc/96/91/46/351969146.db2.gz WVHYZXPEHJFFPR-LBPRGKRZSA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000618874218 351994890 /nfs/dbraw/zinc/99/48/90/351994890.db2.gz NABYIADXFBEAPY-UTUOFQBUSA-N 1 2 247.342 1.828 20 0 BDADLO CC1(C)C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284329162 351995515 /nfs/dbraw/zinc/99/55/15/351995515.db2.gz IOFIWAQLOWKVBC-FSIBCCDJSA-N 1 2 249.314 1.497 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)c(F)c1 ZINC000638181551 352048458 /nfs/dbraw/zinc/04/84/58/352048458.db2.gz HOMMPFROUORRCA-GFCCVEGCSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)c(F)c1 ZINC000638181551 352048461 /nfs/dbraw/zinc/04/84/61/352048461.db2.gz HOMMPFROUORRCA-GFCCVEGCSA-N 1 2 236.290 1.454 20 0 BDADLO CO[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)C(C)C ZINC000410878308 191150082 /nfs/dbraw/zinc/15/00/82/191150082.db2.gz XADPAOHLLHZGDD-GFCCVEGCSA-N 1 2 247.298 1.944 20 0 BDADLO CCc1cc(C[NH2+]Cc2snnc2C)on1 ZINC000638274890 352110181 /nfs/dbraw/zinc/11/01/81/352110181.db2.gz QESQWNVZRUIGBJ-UHFFFAOYSA-N 1 2 238.316 1.687 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000287045786 352111785 /nfs/dbraw/zinc/11/17/85/352111785.db2.gz JAXYTNNJZWFATK-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1cccc(F)c1N ZINC000638371679 352185093 /nfs/dbraw/zinc/18/50/93/352185093.db2.gz OVEBLKKBASHPSB-UHFFFAOYSA-N 1 2 249.293 1.309 20 0 BDADLO CC[N@H+](Cc1cnnn1C)Cc1ccncc1 ZINC000289953539 352204249 /nfs/dbraw/zinc/20/42/49/352204249.db2.gz YAHDQQHAZQCWLM-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC[N@@H+](Cc1cnnn1C)Cc1ccncc1 ZINC000289953539 352204252 /nfs/dbraw/zinc/20/42/52/352204252.db2.gz YAHDQQHAZQCWLM-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1n[nH]cc1C ZINC000290391529 352222842 /nfs/dbraw/zinc/22/28/42/352222842.db2.gz JNELUPQVFDTCNM-UHFFFAOYSA-N 1 2 233.319 1.474 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1n[nH]cc1C ZINC000290391529 352222846 /nfs/dbraw/zinc/22/28/46/352222846.db2.gz JNELUPQVFDTCNM-UHFFFAOYSA-N 1 2 233.319 1.474 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1[nH]ncc1C ZINC000290391529 352222849 /nfs/dbraw/zinc/22/28/49/352222849.db2.gz JNELUPQVFDTCNM-UHFFFAOYSA-N 1 2 233.319 1.474 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1[nH]ncc1C ZINC000290391529 352222856 /nfs/dbraw/zinc/22/28/56/352222856.db2.gz JNELUPQVFDTCNM-UHFFFAOYSA-N 1 2 233.319 1.474 20 0 BDADLO O=C1CC[C@@H](COc2cc[nH+]cc2)CCN1 ZINC000642268484 363128965 /nfs/dbraw/zinc/12/89/65/363128965.db2.gz ZZAXRPLXTHMNHK-SNVBAGLBSA-N 1 2 220.272 1.377 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cccnc2)n1 ZINC000020351110 180701802 /nfs/dbraw/zinc/70/18/02/180701802.db2.gz ZHVBTVTXYSCPKX-UHFFFAOYSA-N 1 2 202.261 1.105 20 0 BDADLO C[C@H]1CC[C@@H](c2noc(C[NH+](C)C)n2)O1 ZINC000528239571 323792591 /nfs/dbraw/zinc/79/25/91/323792591.db2.gz PHSBZDLNFGSREQ-YUMQZZPRSA-N 1 2 211.265 1.371 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H]1CCC(C)(C)O1)C(=O)OC ZINC000411438438 191186742 /nfs/dbraw/zinc/18/67/42/191186742.db2.gz KFILZJQGYBPQBC-ZWNOBZJWSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1cc(NCc2cc(C)on2)nc[nH+]1 ZINC000044726147 352384904 /nfs/dbraw/zinc/38/49/04/352384904.db2.gz WDTKVFMTLLTRGN-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCc2ccccn2)[nH]1 ZINC000411414768 191183678 /nfs/dbraw/zinc/18/36/78/191183678.db2.gz IRQFJFZPLBOQHH-SNVBAGLBSA-N 1 2 245.330 1.744 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCc2ccccn2)[nH]1 ZINC000411414768 191183680 /nfs/dbraw/zinc/18/36/80/191183680.db2.gz IRQFJFZPLBOQHH-SNVBAGLBSA-N 1 2 245.330 1.744 20 0 BDADLO C(=C/c1ccccc1)\C[N@@H+]1CCc2n[nH]nc2C1 ZINC000411620581 191198377 /nfs/dbraw/zinc/19/83/77/191198377.db2.gz PTCCPIFTGIAGCU-QPJJXVBHSA-N 1 2 240.310 1.876 20 0 BDADLO C(=C/c1ccccc1)\C[N@H+]1CCc2n[nH]nc2C1 ZINC000411620581 191198378 /nfs/dbraw/zinc/19/83/78/191198378.db2.gz PTCCPIFTGIAGCU-QPJJXVBHSA-N 1 2 240.310 1.876 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCC1(C)C ZINC000274586914 180744713 /nfs/dbraw/zinc/74/47/13/180744713.db2.gz INAYMEZZHCHUGE-JTQLQIEISA-N 1 2 235.331 1.863 20 0 BDADLO C/C=C/CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638689320 352525241 /nfs/dbraw/zinc/52/52/41/352525241.db2.gz ISUBTOJFQQYMEZ-KXMPLOMGSA-N 1 2 240.253 1.657 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411865723 191224098 /nfs/dbraw/zinc/22/40/98/191224098.db2.gz UTJJMTYAEMHKBG-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411865723 191224100 /nfs/dbraw/zinc/22/41/00/191224100.db2.gz UTJJMTYAEMHKBG-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000340942907 352682305 /nfs/dbraw/zinc/68/23/05/352682305.db2.gz RYFFZCLJUYTLKJ-UHFFFAOYSA-N 1 2 238.335 1.911 20 0 BDADLO CC(C)C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCCC1 ZINC000340942907 352682306 /nfs/dbraw/zinc/68/23/06/352682306.db2.gz RYFFZCLJUYTLKJ-UHFFFAOYSA-N 1 2 238.335 1.911 20 0 BDADLO COc1ccc(NC[C@@H]2C[C@H]3C[C@H]3C2)[nH+]c1 ZINC000638781078 352733691 /nfs/dbraw/zinc/73/36/91/352733691.db2.gz RYDRQSOHPOFXMP-JGPRNRPPSA-N 1 2 218.300 1.970 20 0 BDADLO CO[C@@H](CNc1ccc[nH+]c1C)[C@H]1CCOC1 ZINC000638786136 352740819 /nfs/dbraw/zinc/74/08/19/352740819.db2.gz KCCAMMBSLDEYBF-AAEUAGOBSA-N 1 2 236.315 1.853 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086935079 352747645 /nfs/dbraw/zinc/74/76/45/352747645.db2.gz VZCARBHSKPUGAP-FXQIFTODSA-N 1 2 203.307 1.032 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000334181812 352769736 /nfs/dbraw/zinc/76/97/36/352769736.db2.gz BRANYJLFTKSUGC-OLZOCXBDSA-N 1 2 235.331 1.564 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000334181812 352769739 /nfs/dbraw/zinc/76/97/39/352769739.db2.gz BRANYJLFTKSUGC-OLZOCXBDSA-N 1 2 235.331 1.564 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)nc1 ZINC000334212747 352810985 /nfs/dbraw/zinc/81/09/85/352810985.db2.gz IGPKREBBOKXTGZ-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)nc1 ZINC000334212747 352810988 /nfs/dbraw/zinc/81/09/88/352810988.db2.gz IGPKREBBOKXTGZ-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@@H](C)O1 ZINC000334217069 352816840 /nfs/dbraw/zinc/81/68/40/352816840.db2.gz WGMAPDCJHFWVTN-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@H](C)O1 ZINC000334217069 352816843 /nfs/dbraw/zinc/81/68/43/352816843.db2.gz WGMAPDCJHFWVTN-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000334188861 352778847 /nfs/dbraw/zinc/77/88/47/352778847.db2.gz KDTHLGJVKGOWLO-NSHDSACASA-N 1 2 223.320 1.430 20 0 BDADLO CC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000334188861 352778850 /nfs/dbraw/zinc/77/88/50/352778850.db2.gz KDTHLGJVKGOWLO-NSHDSACASA-N 1 2 223.320 1.430 20 0 BDADLO CC(C)(C)n1ncnc1C[NH+]1CCSCC1 ZINC000334200303 352793039 /nfs/dbraw/zinc/79/30/39/352793039.db2.gz NCIBRJSMTITWIW-UHFFFAOYSA-N 1 2 240.376 1.582 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C(F)F ZINC000334238917 352857603 /nfs/dbraw/zinc/85/76/03/352857603.db2.gz UALYFGPQDUPEAA-SECBINFHSA-N 1 2 243.257 1.517 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2ccon2)[nH]1 ZINC000334249928 352843626 /nfs/dbraw/zinc/84/36/26/352843626.db2.gz YAACHXBPOOYYTA-JTQLQIEISA-N 1 2 218.260 1.735 20 0 BDADLO Cc1nc(NCc2cc(C(C)C)no2)cc[nH+]1 ZINC000608085921 352932816 /nfs/dbraw/zinc/93/28/16/352932816.db2.gz FWEYOKFZKHCDFH-UHFFFAOYSA-N 1 2 232.287 1.930 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000334354937 352991390 /nfs/dbraw/zinc/99/13/90/352991390.db2.gz AOLGVFJTDVAJKZ-QWRGUYRKSA-N 1 2 235.331 1.815 20 0 BDADLO Cc1cnc(NC(=O)NCc2[nH]cc[nH+]2)o1 ZINC000334326695 352962373 /nfs/dbraw/zinc/96/23/73/352962373.db2.gz BTPOTTJNWVZPIZ-UHFFFAOYSA-N 1 2 221.220 1.028 20 0 BDADLO Cc1nc(N2CCCOC(C)(C)C2)cc[nH+]1 ZINC000608086263 352965887 /nfs/dbraw/zinc/96/58/87/352965887.db2.gz GJBFCUKPGJPJLV-UHFFFAOYSA-N 1 2 221.304 1.790 20 0 BDADLO FC1(F)CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638840520 353017134 /nfs/dbraw/zinc/01/71/34/353017134.db2.gz DCYNUAJCOJJGFB-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638840520 353017138 /nfs/dbraw/zinc/01/71/38/353017138.db2.gz DCYNUAJCOJJGFB-SECBINFHSA-N 1 2 205.248 1.897 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2ccns2)[nH]1 ZINC000638823337 353004272 /nfs/dbraw/zinc/00/42/72/353004272.db2.gz RCZGZSHZJVUTQP-ZETCQYMHSA-N 1 2 237.332 1.674 20 0 BDADLO C[C@H](C(=O)N(C)C1CCCC1)[NH+]1CCOCC1 ZINC000334362194 353013942 /nfs/dbraw/zinc/01/39/42/353013942.db2.gz KDVBPKCILMTRLK-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000334384320 353047334 /nfs/dbraw/zinc/04/73/34/353047334.db2.gz IFVFIVOXKWYWBX-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334381776 353048159 /nfs/dbraw/zinc/04/81/59/353048159.db2.gz JWRSLOKRNWXSTQ-WCQYABFASA-N 1 2 247.342 1.702 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc2[nH]cnc21 ZINC000073817583 353110115 /nfs/dbraw/zinc/11/01/15/353110115.db2.gz QOPJYUIIVGSIDQ-UHFFFAOYSA-N 1 2 241.254 1.398 20 0 BDADLO Cc1nnc(CC[NH2+]Cc2cc(C3CC3)no2)[nH]1 ZINC000638949981 353154377 /nfs/dbraw/zinc/15/43/77/353154377.db2.gz KTAXLRMXIWEODU-UHFFFAOYSA-N 1 2 247.302 1.311 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329707020 538109377 /nfs/dbraw/zinc/10/93/77/538109377.db2.gz KIRSHEKLSLEVLM-MWLCHTKSSA-N 1 2 234.303 1.269 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329707020 538109378 /nfs/dbraw/zinc/10/93/78/538109378.db2.gz KIRSHEKLSLEVLM-MWLCHTKSSA-N 1 2 234.303 1.269 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329707020 538109379 /nfs/dbraw/zinc/10/93/79/538109379.db2.gz KIRSHEKLSLEVLM-MWLCHTKSSA-N 1 2 234.303 1.269 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329707020 538109380 /nfs/dbraw/zinc/10/93/80/538109380.db2.gz KIRSHEKLSLEVLM-MWLCHTKSSA-N 1 2 234.303 1.269 20 0 BDADLO COC1CC(N(C)c2cc[nH+]c(C)n2)C1 ZINC000343251830 353195418 /nfs/dbraw/zinc/19/54/18/353195418.db2.gz POTFHESNRNPHCZ-UHFFFAOYSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1sccc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000638978646 353185624 /nfs/dbraw/zinc/18/56/24/353185624.db2.gz KRGHTWUQZJDZGI-MRVPVSSYSA-N 1 2 228.342 1.658 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]CCC(C)(C)O)no1 ZINC000331270553 353232329 /nfs/dbraw/zinc/23/23/29/353232329.db2.gz MMIBNVUOQMVJEK-UHFFFAOYSA-N 1 2 241.335 1.618 20 0 BDADLO CN(c1cc[nH+]c2ccncc21)[C@@H]1CCC[C@@H]1O ZINC000343253230 353247638 /nfs/dbraw/zinc/24/76/38/353247638.db2.gz RZKDVLOKJULLJG-KGLIPLIRSA-N 1 2 243.310 1.979 20 0 BDADLO Cc1cc(N(C)[C@H]2CCCOC2)nc[nH+]1 ZINC000343261085 353265856 /nfs/dbraw/zinc/26/58/56/353265856.db2.gz DEGSMXSWUUIPCW-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCCOC2)nc[nH+]1 ZINC000343261089 353265993 /nfs/dbraw/zinc/26/59/93/353265993.db2.gz DEGSMXSWUUIPCW-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(CO)CC1 ZINC000134577190 538113283 /nfs/dbraw/zinc/11/32/83/538113283.db2.gz MBAMSJKYUZCYQT-MRVPVSSYSA-N 1 2 209.293 1.141 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000134559749 538113312 /nfs/dbraw/zinc/11/33/12/538113312.db2.gz VMOFFBHETXKXPG-WCBMZHEXSA-N 1 2 209.293 1.548 20 0 BDADLO CC(C)c1nc(N(C)[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000343272184 353294561 /nfs/dbraw/zinc/29/45/61/353294561.db2.gz SSWQKZGIXUYEIP-JTQLQIEISA-N 1 2 248.330 1.267 20 0 BDADLO CCN(C[C@H](C)O)c1cc(C)[nH+]c(C2CC2)n1 ZINC000343273444 353301219 /nfs/dbraw/zinc/30/12/19/353301219.db2.gz WSJJNHHNHOPYOC-JTQLQIEISA-N 1 2 235.331 1.870 20 0 BDADLO CC[C@@]1(O)CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000334500695 353332698 /nfs/dbraw/zinc/33/26/98/353332698.db2.gz KFBVDHDNMJVUNP-CQSZACIVSA-N 1 2 245.326 1.925 20 0 BDADLO CO[C@H](C[NH2+]CC(F)(F)CO)CC(C)C ZINC000639055410 353358027 /nfs/dbraw/zinc/35/80/27/353358027.db2.gz ZXZGKDIJGGCHFS-VIFPVBQESA-N 1 2 225.279 1.265 20 0 BDADLO Cc1ccc(CC[NH2+]CC(F)(F)CO)cc1 ZINC000639054726 353360977 /nfs/dbraw/zinc/36/09/77/353360977.db2.gz OOBYMHRTXLZLJY-UHFFFAOYSA-N 1 2 229.270 1.755 20 0 BDADLO CC(C)C1(C[N@@H+]2CCn3ncnc3C2)CC1 ZINC000639057317 353362952 /nfs/dbraw/zinc/36/29/52/353362952.db2.gz MAKGYYSBQANLTH-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO CC(C)C1(C[N@H+]2CCn3ncnc3C2)CC1 ZINC000639057317 353362955 /nfs/dbraw/zinc/36/29/55/353362955.db2.gz MAKGYYSBQANLTH-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO CC[N@H+](CC(F)F)C[C@@]1(OC)CCOC1 ZINC000639058048 353364030 /nfs/dbraw/zinc/36/40/30/353364030.db2.gz GLKHAYBVPYMMHL-JTQLQIEISA-N 1 2 223.263 1.379 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@@]1(OC)CCOC1 ZINC000639058048 353364031 /nfs/dbraw/zinc/36/40/31/353364031.db2.gz GLKHAYBVPYMMHL-JTQLQIEISA-N 1 2 223.263 1.379 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC=CCC1 ZINC000123078315 324080081 /nfs/dbraw/zinc/08/00/81/324080081.db2.gz JDWXYPRKKZMMGW-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO CN1CCC[C@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000537610525 324084228 /nfs/dbraw/zinc/08/42/28/324084228.db2.gz XMAJRLRUYPNEEQ-JTQLQIEISA-N 1 2 212.268 1.166 20 0 BDADLO CN1CCC[C@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000537610525 324084230 /nfs/dbraw/zinc/08/42/30/324084230.db2.gz XMAJRLRUYPNEEQ-JTQLQIEISA-N 1 2 212.268 1.166 20 0 BDADLO CCc1cc(N[C@H]2C[C@@](C)(O)C2)nc[nH+]1 ZINC000642298187 363227799 /nfs/dbraw/zinc/22/77/99/363227799.db2.gz GESQFWTUDNOALC-JGZJWPJOSA-N 1 2 207.277 1.364 20 0 BDADLO CC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH]nn1 ZINC000398390100 363229107 /nfs/dbraw/zinc/22/91/07/363229107.db2.gz ZDRZPPRJAQJUHW-LBPRGKRZSA-N 1 2 230.315 1.916 20 0 BDADLO CC[C@@H](Cc1ccccc1)[NH2+]Cc1cn[nH]n1 ZINC000398390100 363229110 /nfs/dbraw/zinc/22/91/10/363229110.db2.gz ZDRZPPRJAQJUHW-LBPRGKRZSA-N 1 2 230.315 1.916 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000093342384 353483007 /nfs/dbraw/zinc/48/30/07/353483007.db2.gz KMYLFFZOYCKDIK-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000093342384 353483008 /nfs/dbraw/zinc/48/30/08/353483008.db2.gz KMYLFFZOYCKDIK-ZJUUUORDSA-N 1 2 239.319 1.396 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(C(F)F)nc1 ZINC000639096416 353485402 /nfs/dbraw/zinc/48/54/02/353485402.db2.gz DLFTUKZAHNWEKO-UHFFFAOYSA-N 1 2 243.257 1.326 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(C(F)F)nc1 ZINC000639096416 353485403 /nfs/dbraw/zinc/48/54/03/353485403.db2.gz DLFTUKZAHNWEKO-UHFFFAOYSA-N 1 2 243.257 1.326 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000093145684 353469697 /nfs/dbraw/zinc/46/96/97/353469697.db2.gz KZPGUXKVBYDSNL-VIFPVBQESA-N 1 2 211.309 1.309 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C[C@H](C)O)C(C)C ZINC000093145684 353469699 /nfs/dbraw/zinc/46/96/99/353469699.db2.gz KZPGUXKVBYDSNL-VIFPVBQESA-N 1 2 211.309 1.309 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)C(C)C ZINC000191717029 353506488 /nfs/dbraw/zinc/50/64/88/353506488.db2.gz HNXQZIGVEXDRIL-AEJSXWLSSA-N 1 2 217.309 1.197 20 0 BDADLO CCC[C@H](C[N@@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639098144 353497076 /nfs/dbraw/zinc/49/70/76/353497076.db2.gz HHIAHHIASHMFMZ-GHMZBOCLSA-N 1 2 238.335 1.470 20 0 BDADLO CCC[C@H](C[N@H+]1CCn2cnnc2[C@H]1C)OC ZINC000639098144 353497079 /nfs/dbraw/zinc/49/70/79/353497079.db2.gz HHIAHHIASHMFMZ-GHMZBOCLSA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096641831 353688391 /nfs/dbraw/zinc/68/83/91/353688391.db2.gz YJHZJAQJDZWACV-SNVBAGLBSA-N 1 2 221.304 1.218 20 0 BDADLO Fc1ccccc1C[NH2+]Cc1csnn1 ZINC000036901941 181012759 /nfs/dbraw/zinc/01/27/59/181012759.db2.gz ZJCOICFPILCHDS-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO OCC[N@H+](CCC[C@H]1CCO1)CC(F)F ZINC000639124907 353812867 /nfs/dbraw/zinc/81/28/67/353812867.db2.gz ZAVKPFIFGQIRRS-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO OCC[N@@H+](CCC[C@H]1CCO1)CC(F)F ZINC000639124907 353812870 /nfs/dbraw/zinc/81/28/70/353812870.db2.gz ZAVKPFIFGQIRRS-VIFPVBQESA-N 1 2 223.263 1.115 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1(C)CC1 ZINC000334520780 353885373 /nfs/dbraw/zinc/88/53/73/353885373.db2.gz PSOSLIBSUFBWMQ-UHFFFAOYSA-N 1 2 247.342 1.978 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000639144951 353851121 /nfs/dbraw/zinc/85/11/21/353851121.db2.gz IVHMMEAVJWJXDM-GFCCVEGCSA-N 1 2 242.269 1.314 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000639144951 353851122 /nfs/dbraw/zinc/85/11/22/353851122.db2.gz IVHMMEAVJWJXDM-GFCCVEGCSA-N 1 2 242.269 1.314 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2ccns2)n1 ZINC000639147706 353852593 /nfs/dbraw/zinc/85/25/93/353852593.db2.gz VQUOZXZDSGQQMQ-UHFFFAOYSA-N 1 2 238.316 1.859 20 0 BDADLO CO[C@@H](C[NH2+]C1(C(F)F)CC1)[C@H]1CCOC1 ZINC000639139308 353855553 /nfs/dbraw/zinc/85/55/53/353855553.db2.gz INYXEZXNTSBHAW-IUCAKERBSA-N 1 2 235.274 1.425 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc[nH+]1 ZINC000343553948 353920364 /nfs/dbraw/zinc/92/03/64/353920364.db2.gz VKYUUVJCFVJXSS-TUAOUCFPSA-N 1 2 247.342 1.807 20 0 BDADLO C[C@H](Cc1cnccn1)[NH2+]CC(F)F ZINC000639161351 353930951 /nfs/dbraw/zinc/93/09/51/353930951.db2.gz BOHKUAWJOJGCJQ-SSDOTTSWSA-N 1 2 201.220 1.262 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000343687560 353964253 /nfs/dbraw/zinc/96/42/53/353964253.db2.gz KGILNUNJXJCWMP-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000343687560 353964255 /nfs/dbraw/zinc/96/42/55/353964255.db2.gz KGILNUNJXJCWMP-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000343740184 353969527 /nfs/dbraw/zinc/96/95/27/353969527.db2.gz YJOANKDZLCHFSF-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)C(C)(C)C)no1 ZINC000343751336 353972571 /nfs/dbraw/zinc/97/25/71/353972571.db2.gz DFNRRXHYIADOOL-SECBINFHSA-N 1 2 241.335 1.610 20 0 BDADLO COc1cncc(C[N@@H+]2CCOCC2(C)C)c1 ZINC000343766486 353980502 /nfs/dbraw/zinc/98/05/02/353980502.db2.gz NSJWWSNHRCKGPP-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cncc(C[N@H+]2CCOCC2(C)C)c1 ZINC000343766486 353980503 /nfs/dbraw/zinc/98/05/03/353980503.db2.gz NSJWWSNHRCKGPP-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000334545522 353983005 /nfs/dbraw/zinc/98/30/05/353983005.db2.gz SHLRQODJQQUDDO-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000334545522 353983007 /nfs/dbraw/zinc/98/30/07/353983007.db2.gz SHLRQODJQQUDDO-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000334549566 353988896 /nfs/dbraw/zinc/98/88/96/353988896.db2.gz IZMFHBSXQNXJER-CMPLNLGQSA-N 1 2 233.315 1.978 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000334552830 353994763 /nfs/dbraw/zinc/99/47/63/353994763.db2.gz OBROXVNBOIVNGZ-AOOOYVTPSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000334552830 353994766 /nfs/dbraw/zinc/99/47/66/353994766.db2.gz OBROXVNBOIVNGZ-AOOOYVTPSA-N 1 2 240.376 1.624 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)F)[C@]12CCCO2 ZINC000639163902 353960126 /nfs/dbraw/zinc/96/01/26/353960126.db2.gz YMFXUMYIVNIOQC-IQJOONFLSA-N 1 2 235.274 1.568 20 0 BDADLO C[C@H]1COCCN1c1[nH+]c2cccc(F)c2n1C ZINC000334555141 354000107 /nfs/dbraw/zinc/00/01/07/354000107.db2.gz LFEGLXZBQGMVOS-VIFPVBQESA-N 1 2 249.289 1.938 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnccn1 ZINC000334557050 354003290 /nfs/dbraw/zinc/00/32/90/354003290.db2.gz JKIPKVFDBQXERQ-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnccn1 ZINC000334557050 354003293 /nfs/dbraw/zinc/00/32/93/354003293.db2.gz JKIPKVFDBQXERQ-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000334558055 354005701 /nfs/dbraw/zinc/00/57/01/354005701.db2.gz FZEWBXZMGWBKKC-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000334558055 354005704 /nfs/dbraw/zinc/00/57/04/354005704.db2.gz FZEWBXZMGWBKKC-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO CCC[C@H](Nc1cc[nH+]c(C(C)C)n1)C(N)=O ZINC000343908918 354037724 /nfs/dbraw/zinc/03/77/24/354037724.db2.gz IQDKIBSBCIJVRZ-VIFPVBQESA-N 1 2 236.319 1.088 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000343983722 354059206 /nfs/dbraw/zinc/05/92/06/354059206.db2.gz VFFPURZHRZQSBW-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000343983722 354059208 /nfs/dbraw/zinc/05/92/08/354059208.db2.gz VFFPURZHRZQSBW-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO Cc1csc(C[NH2+][C@H](C)C(=O)NC(C)C)n1 ZINC000038091561 358482873 /nfs/dbraw/zinc/48/28/73/358482873.db2.gz XJKBLJDKCIFORU-SECBINFHSA-N 1 2 241.360 1.454 20 0 BDADLO CC[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082388 354136095 /nfs/dbraw/zinc/13/60/95/354136095.db2.gz DGBPVWCMXHFTFU-IUCAKERBSA-N 1 2 224.308 1.488 20 0 BDADLO CC[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344082388 354136099 /nfs/dbraw/zinc/13/60/99/354136099.db2.gz DGBPVWCMXHFTFU-IUCAKERBSA-N 1 2 224.308 1.488 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCS[C@H](C)C2)[nH]1 ZINC000334562101 354117159 /nfs/dbraw/zinc/11/71/59/354117159.db2.gz IYYMLPYTVBBVHN-HTQZYQBOSA-N 1 2 226.349 1.611 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCS[C@H](C)C2)[nH]1 ZINC000334562101 354117162 /nfs/dbraw/zinc/11/71/62/354117162.db2.gz IYYMLPYTVBBVHN-HTQZYQBOSA-N 1 2 226.349 1.611 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)[C@H]2CCCS2)C1 ZINC000334562651 354118836 /nfs/dbraw/zinc/11/88/36/354118836.db2.gz HYDJMJKQAUUYRE-SNVBAGLBSA-N 1 2 228.361 1.091 20 0 BDADLO Cn1nccc1CCNc1cccc[nH+]1 ZINC000231039366 363336923 /nfs/dbraw/zinc/33/69/23/363336923.db2.gz CGDCYHUNBLJDQR-UHFFFAOYSA-N 1 2 202.261 1.470 20 0 BDADLO Cc1cc(N[C@@H](CCO)C(C)C)nc[nH+]1 ZINC000230915065 363328558 /nfs/dbraw/zinc/32/85/58/363328558.db2.gz PEDDXNBYEGRTNX-JTQLQIEISA-N 1 2 209.293 1.604 20 0 BDADLO c1cc(C[N@@H+]2CCOCC3(CC3)C2)n[nH]1 ZINC000334584325 354206384 /nfs/dbraw/zinc/20/63/84/354206384.db2.gz OHZNRUBDVDICBJ-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO c1cc(C[N@H+]2CCOCC3(CC3)C2)n[nH]1 ZINC000334584325 354206386 /nfs/dbraw/zinc/20/63/86/354206386.db2.gz OHZNRUBDVDICBJ-UHFFFAOYSA-N 1 2 207.277 1.022 20 0 BDADLO Cc1cocc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000627141641 363361617 /nfs/dbraw/zinc/36/16/17/363361617.db2.gz AXSPODKMOAUFPU-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(C)C ZINC000232044166 363361666 /nfs/dbraw/zinc/36/16/66/363361666.db2.gz HNXQZIGVEXDRIL-OPRDCNLKSA-N 1 2 217.309 1.197 20 0 BDADLO Cc1ncc(CN[C@H]2CCC[N@H+](C)[C@H]2C)cn1 ZINC000344339593 354236257 /nfs/dbraw/zinc/23/62/57/354236257.db2.gz YLCRVBKZOOKYQE-GWCFXTLKSA-N 1 2 234.347 1.357 20 0 BDADLO Cc1ncc(CN[C@H]2CCC[N@@H+](C)[C@H]2C)cn1 ZINC000344339593 354236259 /nfs/dbraw/zinc/23/62/59/354236259.db2.gz YLCRVBKZOOKYQE-GWCFXTLKSA-N 1 2 234.347 1.357 20 0 BDADLO Cc1ncc(CN[C@H]2CCC[N@H+](C)[C@@H]2C)cn1 ZINC000344339595 354236331 /nfs/dbraw/zinc/23/63/31/354236331.db2.gz YLCRVBKZOOKYQE-MFKMUULPSA-N 1 2 234.347 1.357 20 0 BDADLO Cc1ncc(CN[C@H]2CCC[N@@H+](C)[C@@H]2C)cn1 ZINC000344339595 354236334 /nfs/dbraw/zinc/23/63/34/354236334.db2.gz YLCRVBKZOOKYQE-MFKMUULPSA-N 1 2 234.347 1.357 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCC3)n(C)n1 ZINC000334611476 354295109 /nfs/dbraw/zinc/29/51/09/354295109.db2.gz QJXBJUWWPKNADY-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCC3)n(C)n1 ZINC000334611476 354295113 /nfs/dbraw/zinc/29/51/13/354295113.db2.gz QJXBJUWWPKNADY-UHFFFAOYSA-N 1 2 235.331 1.483 20 0 BDADLO Cc1occc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000334608784 354316552 /nfs/dbraw/zinc/31/65/52/354316552.db2.gz FNBLLRTXJURBIU-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO Cc1occc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000334608784 354316555 /nfs/dbraw/zinc/31/65/55/354316555.db2.gz FNBLLRTXJURBIU-ZDUSSCGKSA-N 1 2 237.299 1.579 20 0 BDADLO CO[C@@](C)(C[N@@H+]1CCOCC(F)(F)C1)C1CC1 ZINC000639186364 354379889 /nfs/dbraw/zinc/37/98/89/354379889.db2.gz LAZYRDKFHAFOMG-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO CO[C@@](C)(C[N@H+]1CCOCC(F)(F)C1)C1CC1 ZINC000639186364 354379892 /nfs/dbraw/zinc/37/98/92/354379892.db2.gz LAZYRDKFHAFOMG-NSHDSACASA-N 1 2 249.301 1.769 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334627815 354369187 /nfs/dbraw/zinc/36/91/87/354369187.db2.gz UDLJQGBLOSRAOU-CYBMUJFWSA-N 1 2 248.326 1.895 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334627815 354369190 /nfs/dbraw/zinc/36/91/90/354369190.db2.gz UDLJQGBLOSRAOU-CYBMUJFWSA-N 1 2 248.326 1.895 20 0 BDADLO Cc1cc(NC(=O)c2ccncc2C)cc[nH+]1 ZINC000334630192 354372701 /nfs/dbraw/zinc/37/27/01/354372701.db2.gz XOOXAUFGPAQSOM-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC(=O)N1 ZINC000334645638 354434998 /nfs/dbraw/zinc/43/49/98/354434998.db2.gz GYFZOYJFYIUKQO-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC(=O)N1 ZINC000334645638 354435000 /nfs/dbraw/zinc/43/50/00/354435000.db2.gz GYFZOYJFYIUKQO-NSHDSACASA-N 1 2 244.338 1.884 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CCc2ccc(F)cc2C1 ZINC000179077169 366204238 /nfs/dbraw/zinc/20/42/38/366204238.db2.gz ZUIPNHQYUYDOHH-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CCc2ccc(F)cc2C1 ZINC000179077169 366204247 /nfs/dbraw/zinc/20/42/47/366204247.db2.gz ZUIPNHQYUYDOHH-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]2C)c[nH+]1 ZINC000334641894 354397834 /nfs/dbraw/zinc/39/78/34/354397834.db2.gz DWWLGXXPLILJHC-IONNQARKSA-N 1 2 207.277 1.637 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(Cl)o2)C1 ZINC000334644446 354402221 /nfs/dbraw/zinc/40/22/21/354402221.db2.gz DFWFYVVFYRTLLI-UHFFFAOYSA-N 1 2 215.680 1.747 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@@H](CF)C2)no1 ZINC000334648414 354439104 /nfs/dbraw/zinc/43/91/04/354439104.db2.gz XOKAJUYVYWLFCS-NSHDSACASA-N 1 2 228.267 1.543 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@@H](CF)C2)no1 ZINC000334648414 354439107 /nfs/dbraw/zinc/43/91/07/354439107.db2.gz XOKAJUYVYWLFCS-NSHDSACASA-N 1 2 228.267 1.543 20 0 BDADLO C[C@]1(C(=O)Nc2c[nH+]c3n2CCCC3)CCOC1 ZINC000334668152 354408180 /nfs/dbraw/zinc/40/81/80/354408180.db2.gz RJRSOHJVFIBIHO-ZDUSSCGKSA-N 1 2 249.314 1.585 20 0 BDADLO C[C@]1(c2ccccc2)CC[N@H+](Cc2cnn[nH]2)C1 ZINC000334679385 354425097 /nfs/dbraw/zinc/42/50/97/354425097.db2.gz SZEOSUNEKYFNSA-AWEZNQCLSA-N 1 2 242.326 1.968 20 0 BDADLO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000334679385 354425099 /nfs/dbraw/zinc/42/50/99/354425099.db2.gz SZEOSUNEKYFNSA-AWEZNQCLSA-N 1 2 242.326 1.968 20 0 BDADLO C[C@]1(c2ccccc2)CC[N@H+](Cc2cn[nH]n2)C1 ZINC000334679385 354425102 /nfs/dbraw/zinc/42/51/02/354425102.db2.gz SZEOSUNEKYFNSA-AWEZNQCLSA-N 1 2 242.326 1.968 20 0 BDADLO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000334679385 354425104 /nfs/dbraw/zinc/42/51/04/354425104.db2.gz SZEOSUNEKYFNSA-AWEZNQCLSA-N 1 2 242.326 1.968 20 0 BDADLO CCC[C@H]1C[N@H+](CC(=O)N[C@@H](C)CC)CCO1 ZINC000179150649 366211787 /nfs/dbraw/zinc/21/17/87/366211787.db2.gz ZQIMGZXPDVAAQY-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCC[C@H]1C[N@@H+](CC(=O)N[C@@H](C)CC)CCO1 ZINC000179150649 366211790 /nfs/dbraw/zinc/21/17/90/366211790.db2.gz ZQIMGZXPDVAAQY-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cc(CN2C(=O)N[C@@H](C)C2=O)cc(C)[nH+]1 ZINC000334661956 354461639 /nfs/dbraw/zinc/46/16/39/354461639.db2.gz DSZJKBYLLCWEJE-VIFPVBQESA-N 1 2 233.271 1.139 20 0 BDADLO Cc1cc(CN2C(=O)[C@H](C)N(C)C2=O)cc(C)[nH+]1 ZINC000334662763 354462374 /nfs/dbraw/zinc/46/23/74/354462374.db2.gz MYCVPGVLHKVWGE-JTQLQIEISA-N 1 2 247.298 1.481 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000334745468 354469182 /nfs/dbraw/zinc/46/91/82/354469182.db2.gz GZYAEVXWIVLOIF-NEPJUHHUSA-N 1 2 235.331 1.575 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000334745468 354469185 /nfs/dbraw/zinc/46/91/85/354469185.db2.gz GZYAEVXWIVLOIF-NEPJUHHUSA-N 1 2 235.331 1.575 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C3(C)CC3)CC2)c[nH+]1 ZINC000334734917 354536144 /nfs/dbraw/zinc/53/61/44/354536144.db2.gz ITWXQDHAQYDXDG-UHFFFAOYSA-N 1 2 219.288 1.781 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@@H]1C ZINC000334738484 354540757 /nfs/dbraw/zinc/54/07/57/354540757.db2.gz MPBOHPUCIWIOQD-JOYOIKCWSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000334700383 354492980 /nfs/dbraw/zinc/49/29/80/354492980.db2.gz IAMBGEWQERKKGZ-LLVKDONJSA-N 1 2 236.290 1.977 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000334700383 354492981 /nfs/dbraw/zinc/49/29/81/354492981.db2.gz IAMBGEWQERKKGZ-LLVKDONJSA-N 1 2 236.290 1.977 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@@H+]1CCC12CCC2 ZINC000334708628 354504452 /nfs/dbraw/zinc/50/44/52/354504452.db2.gz YDALDYKMIGKYHT-UHFFFAOYSA-N 1 2 218.304 1.811 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@H+]1CCC12CCC2 ZINC000334708628 354504454 /nfs/dbraw/zinc/50/44/54/354504454.db2.gz YDALDYKMIGKYHT-UHFFFAOYSA-N 1 2 218.304 1.811 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)c[nH+]1 ZINC000412688205 191305958 /nfs/dbraw/zinc/30/59/58/191305958.db2.gz OVQZXBFCWIQDRJ-XKSSXDPKSA-N 1 2 237.303 1.261 20 0 BDADLO COC(=O)C[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000366898154 354641011 /nfs/dbraw/zinc/64/10/11/354641011.db2.gz ZUWQSBAGCHXRGQ-UHFFFAOYSA-N 1 2 249.310 1.269 20 0 BDADLO COC(=O)C[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000366898154 354641014 /nfs/dbraw/zinc/64/10/14/354641014.db2.gz ZUWQSBAGCHXRGQ-UHFFFAOYSA-N 1 2 249.310 1.269 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C[C@@H]2C(F)F)cc[nH+]1 ZINC000335081788 354644959 /nfs/dbraw/zinc/64/49/59/354644959.db2.gz UVUBRIPYLXOZQZ-IUCAKERBSA-N 1 2 241.241 1.587 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000335089449 354624238 /nfs/dbraw/zinc/62/42/38/354624238.db2.gz FTXJJOLJZZIPKO-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000335089450 354624426 /nfs/dbraw/zinc/62/44/26/354624426.db2.gz FTXJJOLJZZIPKO-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccccc1 ZINC000345637642 354720823 /nfs/dbraw/zinc/72/08/23/354720823.db2.gz IKVOWMJGFGAWMG-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]1C(F)F ZINC000345798918 354773469 /nfs/dbraw/zinc/77/34/69/354773469.db2.gz IQLRPSUTPLYGPO-YUMQZZPRSA-N 1 2 229.230 1.043 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC(C)(C)C1 ZINC000335132291 354778897 /nfs/dbraw/zinc/77/88/97/354778897.db2.gz SXTNVRAWWKYTQY-UHFFFAOYSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCOCC(F)F)no1 ZINC000346374974 354903767 /nfs/dbraw/zinc/90/37/67/354903767.db2.gz BYVPAVRZXLMOMG-UHFFFAOYSA-N 1 2 249.261 1.484 20 0 BDADLO FC(F)n1ccc(C[NH+]2CCCC2)n1 ZINC000346682457 355010704 /nfs/dbraw/zinc/01/07/04/355010704.db2.gz CGKXBDXRWGCWBN-UHFFFAOYSA-N 1 2 201.220 1.874 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000335215296 355053321 /nfs/dbraw/zinc/05/33/21/355053321.db2.gz GZXPFDYRTBITEM-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000335215296 355053325 /nfs/dbraw/zinc/05/33/25/355053325.db2.gz GZXPFDYRTBITEM-BETUJISGSA-N 1 2 218.300 1.753 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000449756434 202022230 /nfs/dbraw/zinc/02/22/30/202022230.db2.gz BDQHUCABPYINRH-VXGBXAGGSA-N 1 2 223.320 1.847 20 0 BDADLO CC1(C[N@@H+]2CCn3cnnc3C2)CCC1 ZINC000335225916 355067037 /nfs/dbraw/zinc/06/70/37/355067037.db2.gz AVRNAEYGCDMDTB-UHFFFAOYSA-N 1 2 206.293 1.284 20 0 BDADLO CC1(C[N@H+]2CCn3cnnc3C2)CCC1 ZINC000335225916 355067039 /nfs/dbraw/zinc/06/70/39/355067039.db2.gz AVRNAEYGCDMDTB-UHFFFAOYSA-N 1 2 206.293 1.284 20 0 BDADLO Cc1cc(NCc2ccc[nH+]c2N(C)C)ncn1 ZINC000346736970 355089694 /nfs/dbraw/zinc/08/96/94/355089694.db2.gz ASWAUARBLMZMDJ-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO CC(C)N(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000335249049 355166898 /nfs/dbraw/zinc/16/68/98/355166898.db2.gz MZFWKSYYFMTPLS-MRVPVSSYSA-N 1 2 213.306 1.010 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000335249233 355168051 /nfs/dbraw/zinc/16/80/51/355168051.db2.gz IYVVXKPPOHXAIP-IONNQARKSA-N 1 2 225.317 1.154 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1C ZINC000639230020 355144223 /nfs/dbraw/zinc/14/42/23/355144223.db2.gz GHHSGLBIABHIMZ-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC000639230020 355144226 /nfs/dbraw/zinc/14/42/26/355144226.db2.gz GHHSGLBIABHIMZ-GHMZBOCLSA-N 1 2 238.335 1.062 20 0 BDADLO COc1ccncc1CN1CCn2cc[nH+]c2C1 ZINC000346886951 355144865 /nfs/dbraw/zinc/14/48/65/355144865.db2.gz VWNCCRQHDJKABR-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1cccnc1 ZINC000346919581 355154445 /nfs/dbraw/zinc/15/44/45/355154445.db2.gz BMXIQMDQZUBGOM-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346971901 355208240 /nfs/dbraw/zinc/20/82/40/355208240.db2.gz BTLADVOIYMJWCW-NSHDSACASA-N 1 2 220.272 1.392 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346971901 355208241 /nfs/dbraw/zinc/20/82/41/355208241.db2.gz BTLADVOIYMJWCW-NSHDSACASA-N 1 2 220.272 1.392 20 0 BDADLO CC[C@@H]([NH2+]Cc1nc2ccccc2o1)C(=O)NC ZINC000639242899 355229605 /nfs/dbraw/zinc/22/96/05/355229605.db2.gz WBUDIXQVYFFNLZ-SECBINFHSA-N 1 2 247.298 1.442 20 0 BDADLO COC[C@@H]([NH2+]Cc1cc(C)n(C)n1)c1ccco1 ZINC000347617492 355236301 /nfs/dbraw/zinc/23/63/01/355236301.db2.gz RBMUUILRLLBERL-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000347637685 355243857 /nfs/dbraw/zinc/24/38/57/355243857.db2.gz YWWPENAMTZYQJJ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C)CCO1 ZINC000347637685 355243858 /nfs/dbraw/zinc/24/38/58/355243858.db2.gz YWWPENAMTZYQJJ-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1nc(N2CCO[C@H](CF)C2)c(C)c(C)[nH+]1 ZINC000413468945 191383668 /nfs/dbraw/zinc/38/36/68/191383668.db2.gz DLISROFDPZEFSG-LLVKDONJSA-N 1 2 239.294 1.577 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347673080 355260617 /nfs/dbraw/zinc/26/06/17/355260617.db2.gz CVKDCORBUZBLHZ-VIFPVBQESA-N 1 2 245.273 1.483 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347673080 355260619 /nfs/dbraw/zinc/26/06/19/355260619.db2.gz CVKDCORBUZBLHZ-VIFPVBQESA-N 1 2 245.273 1.483 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@H](O)C(C)C ZINC000413532671 191393052 /nfs/dbraw/zinc/39/30/52/191393052.db2.gz BANHZSDBNGITAU-ZYHUDNBSSA-N 1 2 223.320 1.992 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413239433 191363314 /nfs/dbraw/zinc/36/33/14/191363314.db2.gz IVNVXBJHLMITGF-IUCAKERBSA-N 1 2 236.319 1.622 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413239433 191363316 /nfs/dbraw/zinc/36/33/16/191363316.db2.gz IVNVXBJHLMITGF-IUCAKERBSA-N 1 2 236.319 1.622 20 0 BDADLO OCCN(CC1CC1)c1cc(NC2CC2)[nH+]cn1 ZINC000413159362 191363555 /nfs/dbraw/zinc/36/35/55/191363555.db2.gz CBLMOQLLPFAHQE-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO OCCN(CC1CC1)c1cc(NC2CC2)nc[nH+]1 ZINC000413159362 191363557 /nfs/dbraw/zinc/36/35/57/191363557.db2.gz CBLMOQLLPFAHQE-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO CC(C)c1nc(NC[C@@]2(C)CCC(=O)N2)cc[nH+]1 ZINC000413343320 191372469 /nfs/dbraw/zinc/37/24/69/191372469.db2.gz PWZRNEMXDVWNRP-CYBMUJFWSA-N 1 2 248.330 1.103 20 0 BDADLO Cc1nnsc1C[NH+]1CC(C(F)F)C1 ZINC000639252757 355289835 /nfs/dbraw/zinc/28/98/35/355289835.db2.gz SLORRJHHSPJVRE-UHFFFAOYSA-N 1 2 219.260 1.543 20 0 BDADLO COc1cc(C)c(C[NH+]2CC(C)(O)C2)c(C)n1 ZINC000639253521 355291095 /nfs/dbraw/zinc/29/10/95/355291095.db2.gz IPKDRGOPQNTZBX-UHFFFAOYSA-N 1 2 236.315 1.274 20 0 BDADLO CC1(O)C[NH+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000639253502 355291210 /nfs/dbraw/zinc/29/12/10/355291210.db2.gz HUIHBPNUQPRYIC-UHFFFAOYSA-N 1 2 247.338 1.967 20 0 BDADLO CC1(O)C[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000639253475 355291415 /nfs/dbraw/zinc/29/14/15/355291415.db2.gz GPORGNGTDUYCAQ-UHFFFAOYSA-N 1 2 243.310 1.643 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[NH+]1CC(C)(CO)C1 ZINC000639254860 355294659 /nfs/dbraw/zinc/29/46/59/355294659.db2.gz DKVHTVOWTTWLDT-NSHDSACASA-N 1 2 235.331 1.185 20 0 BDADLO C[C@H]1[C@H](CO)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000413600387 191398808 /nfs/dbraw/zinc/39/88/08/191398808.db2.gz YQOIRYNCWUCLGB-JQWIXIFHSA-N 1 2 247.342 1.951 20 0 BDADLO Cc1nnsc1C[NH+]1CC2(C1)CCCOC2 ZINC000639250729 355281117 /nfs/dbraw/zinc/28/11/17/355281117.db2.gz AQKYBCJPJPIJBK-UHFFFAOYSA-N 1 2 239.344 1.459 20 0 BDADLO Cc1nnsc1C[NH+]1CC2(CC(F)C2)C1 ZINC000639252996 355287998 /nfs/dbraw/zinc/28/79/98/355287998.db2.gz YQDSCVUXCMRNBP-UHFFFAOYSA-N 1 2 227.308 1.780 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCOCCC(C)C ZINC000349744452 355421303 /nfs/dbraw/zinc/42/13/03/355421303.db2.gz MSQKKBIKIIFDHP-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOCCC(C)C ZINC000349744452 355421305 /nfs/dbraw/zinc/42/13/05/355421305.db2.gz MSQKKBIKIIFDHP-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C)CCC2 ZINC000335780371 355427481 /nfs/dbraw/zinc/42/74/81/355427481.db2.gz FGLXQZWGIXRGKT-JTQLQIEISA-N 1 2 236.319 1.340 20 0 BDADLO O[C@H](C[NH+]1CC(F)C1)C1CCCCC1 ZINC000335781218 355428210 /nfs/dbraw/zinc/42/82/10/355428210.db2.gz USJBKZSXFQDWKZ-LLVKDONJSA-N 1 2 201.285 1.581 20 0 BDADLO O=C(NCC(F)F)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335785773 355435273 /nfs/dbraw/zinc/43/52/73/355435273.db2.gz GDUSXHJMRQNRRX-ZCFIWIBFSA-N 1 2 229.230 1.211 20 0 BDADLO O=C(NCC(F)F)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000335785773 355435277 /nfs/dbraw/zinc/43/52/77/355435277.db2.gz GDUSXHJMRQNRRX-ZCFIWIBFSA-N 1 2 229.230 1.211 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)cnn2C)C[C@H](C)O1 ZINC000335811180 355496500 /nfs/dbraw/zinc/49/65/00/355496500.db2.gz QUMYJMPJISPWKN-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)cnn2C)C[C@H](C)O1 ZINC000335811180 355496505 /nfs/dbraw/zinc/49/65/05/355496505.db2.gz QUMYJMPJISPWKN-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO C[N@H+](Cc1ccccc1F)[C@H]1CCCNC1=O ZINC000335812081 355498532 /nfs/dbraw/zinc/49/85/32/355498532.db2.gz OGMUCGDZLXVCJC-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO C[N@@H+](Cc1ccccc1F)[C@H]1CCCNC1=O ZINC000335812081 355498537 /nfs/dbraw/zinc/49/85/37/355498537.db2.gz OGMUCGDZLXVCJC-LBPRGKRZSA-N 1 2 236.290 1.536 20 0 BDADLO C[NH2+]Cc1noc(COc2c(C)cccc2C)n1 ZINC000349856807 355501238 /nfs/dbraw/zinc/50/12/38/355501238.db2.gz SNGSYXUNFLEDSK-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO C[C@H]1CCN(Cc2cc[nH+]c(N)c2)CC1(F)F ZINC000335813669 355502066 /nfs/dbraw/zinc/50/20/66/355502066.db2.gz BMYZJKGMBLPVOG-VIFPVBQESA-N 1 2 241.285 1.971 20 0 BDADLO FC1(F)COCC[N@H+](CC2CCOCC2)C1 ZINC000335795155 355451051 /nfs/dbraw/zinc/45/10/51/355451051.db2.gz KPPVRMOMIGLCGL-UHFFFAOYSA-N 1 2 235.274 1.381 20 0 BDADLO FC1(F)COCC[N@@H+](CC2CCOCC2)C1 ZINC000335795155 355451056 /nfs/dbraw/zinc/45/10/56/355451056.db2.gz KPPVRMOMIGLCGL-UHFFFAOYSA-N 1 2 235.274 1.381 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000349803294 355465775 /nfs/dbraw/zinc/46/57/75/355465775.db2.gz XOQGLQAAFQZVDA-MRVPVSSYSA-N 1 2 246.232 1.667 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000349803294 355465779 /nfs/dbraw/zinc/46/57/79/355465779.db2.gz XOQGLQAAFQZVDA-MRVPVSSYSA-N 1 2 246.232 1.667 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000335802281 355471887 /nfs/dbraw/zinc/47/18/87/355471887.db2.gz IWQRRYHVRVSOKG-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000335802281 355471890 /nfs/dbraw/zinc/47/18/90/355471890.db2.gz IWQRRYHVRVSOKG-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000349852216 355482663 /nfs/dbraw/zinc/48/26/63/355482663.db2.gz BLSUXQBEWOMOAR-UHFFFAOYSA-N 1 2 229.283 1.152 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000349852216 355482667 /nfs/dbraw/zinc/48/26/67/355482667.db2.gz BLSUXQBEWOMOAR-UHFFFAOYSA-N 1 2 229.283 1.152 20 0 BDADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCCC1 ZINC000335809600 355484220 /nfs/dbraw/zinc/48/42/20/355484220.db2.gz CUVFWZDNWRSDED-SECBINFHSA-N 1 2 219.288 1.452 20 0 BDADLO Cc1nnc(C[N@H+](C)CCCCO)n1C1CC1 ZINC000349932172 355530003 /nfs/dbraw/zinc/53/00/03/355530003.db2.gz DMGAVVWECUNJTH-UHFFFAOYSA-N 1 2 238.335 1.126 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCCCO)n1C1CC1 ZINC000349932172 355530007 /nfs/dbraw/zinc/53/00/07/355530007.db2.gz DMGAVVWECUNJTH-UHFFFAOYSA-N 1 2 238.335 1.126 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000335824090 355545158 /nfs/dbraw/zinc/54/51/58/355545158.db2.gz AXKUKTSDWUNYJP-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1C[C@H]1CCCO1 ZINC000335824090 355545160 /nfs/dbraw/zinc/54/51/60/355545160.db2.gz AXKUKTSDWUNYJP-RKDXNWHRSA-N 1 2 205.248 1.895 20 0 BDADLO Cc1nc(N[C@@H](C)CCCCO)cc[nH+]1 ZINC000398646380 355548043 /nfs/dbraw/zinc/54/80/43/355548043.db2.gz ZYLGEVUPZYLJIM-VIFPVBQESA-N 1 2 209.293 1.170 20 0 BDADLO CC(C)OCC[C@@H](O)C[N@H+](C)CC(F)F ZINC000349899897 355521896 /nfs/dbraw/zinc/52/18/96/355521896.db2.gz WVOCCOYERJTEJC-SECBINFHSA-N 1 2 225.279 1.359 20 0 BDADLO CC(C)OCC[C@@H](O)C[N@@H+](C)CC(F)F ZINC000349899897 355521900 /nfs/dbraw/zinc/52/19/00/355521900.db2.gz WVOCCOYERJTEJC-SECBINFHSA-N 1 2 225.279 1.359 20 0 BDADLO C[NH2+]Cc1noc(COc2ccc(OC)cc2)n1 ZINC000349906739 355524078 /nfs/dbraw/zinc/52/40/78/355524078.db2.gz HLHNOZWLPFQBII-UHFFFAOYSA-N 1 2 249.270 1.377 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@]23CCOC3)cc[nH+]1 ZINC000335844052 355587203 /nfs/dbraw/zinc/58/72/03/355587203.db2.gz KCRVCVDDZUGQJQ-AAEUAGOBSA-N 1 2 232.283 1.177 20 0 BDADLO Cc1ccc(OCc2c[nH+]cn2C)nc1 ZINC000335852310 355596746 /nfs/dbraw/zinc/59/67/46/355596746.db2.gz VNYDYOWILAMDEZ-UHFFFAOYSA-N 1 2 203.245 1.703 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335836655 355564576 /nfs/dbraw/zinc/56/45/76/355564576.db2.gz HWSTXIXTMGDPDT-SNVBAGLBSA-N 1 2 242.282 1.863 20 0 BDADLO CS[C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000033227213 355571302 /nfs/dbraw/zinc/57/13/02/355571302.db2.gz VQHYSKLPLKDSPA-VIFPVBQESA-N 1 2 249.339 1.702 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000639302283 355646941 /nfs/dbraw/zinc/64/69/41/355646941.db2.gz LBCZQNQVGAXVND-KOLCDFICSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000639302283 355646944 /nfs/dbraw/zinc/64/69/44/355646944.db2.gz LBCZQNQVGAXVND-KOLCDFICSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1nc(C)no1)OC ZINC000639302277 355647037 /nfs/dbraw/zinc/64/70/37/355647037.db2.gz LBCZQNQVGAXVND-GXSJLCMTSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1nc(C)no1)OC ZINC000639302277 355647038 /nfs/dbraw/zinc/64/70/38/355647038.db2.gz LBCZQNQVGAXVND-GXSJLCMTSA-N 1 2 241.335 1.871 20 0 BDADLO O[C@H]1CC[N@H+](CCC[C@H]2CCO2)CC1(F)F ZINC000639310141 355666366 /nfs/dbraw/zinc/66/63/66/355666366.db2.gz OIUPCMVIYIXEIW-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@@H+](CCC[C@H]2CCO2)CC1(F)F ZINC000639310141 355666369 /nfs/dbraw/zinc/66/63/69/355666369.db2.gz OIUPCMVIYIXEIW-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]c[nH]2)sn1 ZINC000639300629 355632685 /nfs/dbraw/zinc/63/26/85/355632685.db2.gz BUXOOPFPUMYWDQ-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH]c[nH+]2)sn1 ZINC000639300629 355632687 /nfs/dbraw/zinc/63/26/87/355632687.db2.gz BUXOOPFPUMYWDQ-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO NC(=O)c1cc(C[NH2+]Cc2ccccc2F)on1 ZINC000350394656 355696204 /nfs/dbraw/zinc/69/62/04/355696204.db2.gz RNDBIIRNEIZXGP-UHFFFAOYSA-N 1 2 249.245 1.202 20 0 BDADLO Cc1nc(NC[C@](C)(O)C(C)C)cc[nH+]1 ZINC000389604368 355709708 /nfs/dbraw/zinc/70/97/08/355709708.db2.gz XEACBMOFVGNUOP-NSHDSACASA-N 1 2 209.293 1.026 20 0 BDADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCOC1CCC1 ZINC000332017467 181205405 /nfs/dbraw/zinc/20/54/05/181205405.db2.gz LFFXWQYINRENCQ-SCZZXKLOSA-N 1 2 230.283 1.503 20 0 BDADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCOC1CCC1 ZINC000332017467 181205406 /nfs/dbraw/zinc/20/54/06/181205406.db2.gz LFFXWQYINRENCQ-SCZZXKLOSA-N 1 2 230.283 1.503 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H](C2CC2)C1 ZINC000335890752 355682212 /nfs/dbraw/zinc/68/22/12/355682212.db2.gz FWGYOGXMTDMUSD-LLVKDONJSA-N 1 2 221.304 1.031 20 0 BDADLO Cc1cccc2c1C[N@H+](Cc1cn(C)nn1)CC2 ZINC000335890249 355682433 /nfs/dbraw/zinc/68/24/33/355682433.db2.gz SCQYCASWZCQMLY-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc2c1C[N@@H+](Cc1cn(C)nn1)CC2 ZINC000335890249 355682436 /nfs/dbraw/zinc/68/24/36/355682436.db2.gz SCQYCASWZCQMLY-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000639311482 355683309 /nfs/dbraw/zinc/68/33/09/355683309.db2.gz ZZLSWKZWNFAUMK-MWLCHTKSSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000639311482 355683312 /nfs/dbraw/zinc/68/33/12/355683312.db2.gz ZZLSWKZWNFAUMK-MWLCHTKSSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000350629071 355734629 /nfs/dbraw/zinc/73/46/29/355734629.db2.gz LHRLTZRBBDDJIN-TUAOUCFPSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000350629071 355734633 /nfs/dbraw/zinc/73/46/33/355734633.db2.gz LHRLTZRBBDDJIN-TUAOUCFPSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc[nH+]c(C2CC2)n1 ZINC000350723991 355749818 /nfs/dbraw/zinc/74/98/18/355749818.db2.gz GZFHYRVYJYAXND-WCBMZHEXSA-N 1 2 219.288 1.314 20 0 BDADLO Cc1cc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)on1 ZINC000336010866 134050889 /nfs/dbraw/zinc/05/08/89/134050889.db2.gz DIYQQRIJLBGBQV-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1cc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)on1 ZINC000336010866 134050890 /nfs/dbraw/zinc/05/08/90/134050890.db2.gz DIYQQRIJLBGBQV-ABKXIKBNSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ccc(NC(=O)NC[C@H]2C[C@@H](O)C2)c(C)[nH+]1 ZINC000626433149 355766537 /nfs/dbraw/zinc/76/65/37/355766537.db2.gz ZNTZKOIYQRCPER-PHIMTYICSA-N 1 2 249.314 1.591 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000336012775 134052159 /nfs/dbraw/zinc/05/21/59/134052159.db2.gz DYOINMZZBYIRBL-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N1CCn2cc[nH+]c2C1 ZINC000336015507 134053164 /nfs/dbraw/zinc/05/31/64/134053164.db2.gz VHSLIVUSMWKOGU-NXEZZACHSA-N 1 2 219.288 1.271 20 0 BDADLO COc1cc(C[NH2+]Cc2oc(C)nc2C)on1 ZINC000639326786 355732173 /nfs/dbraw/zinc/73/21/73/355732173.db2.gz UGDOCDOVGNFGMY-UHFFFAOYSA-N 1 2 237.259 1.578 20 0 BDADLO COC[C@H](C)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000608497751 355824141 /nfs/dbraw/zinc/82/41/41/355824141.db2.gz ZBRSXZIXLFCIAJ-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO COC[C@H](C)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000608497751 355824142 /nfs/dbraw/zinc/82/41/42/355824142.db2.gz ZBRSXZIXLFCIAJ-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO CCn1ncnc1C[NH+]1CC(CC2CC2)C1 ZINC000639341203 355782970 /nfs/dbraw/zinc/78/29/70/355782970.db2.gz QDAYZPLDKCSYAT-UHFFFAOYSA-N 1 2 220.320 1.530 20 0 BDADLO CSCCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352058681 134054544 /nfs/dbraw/zinc/05/45/44/134054544.db2.gz FQZRLISXFVBHHB-UHFFFAOYSA-N 1 2 241.360 1.901 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCC12CC2 ZINC000623254337 355852946 /nfs/dbraw/zinc/85/29/46/355852946.db2.gz ZDCKTCFXONMUAT-CMPLNLGQSA-N 1 2 245.326 1.504 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CC2(CC2)C1 ZINC000623254616 355856192 /nfs/dbraw/zinc/85/61/92/355856192.db2.gz MRJCGKATAKRTGQ-SNVBAGLBSA-N 1 2 231.299 1.114 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000623255190 355856759 /nfs/dbraw/zinc/85/67/59/355856759.db2.gz SURGOGMRVJWMNR-XKAARJIMSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H]1CCCCN1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632755376 355830756 /nfs/dbraw/zinc/83/07/56/355830756.db2.gz CIIBXOBVBCZXNA-JTQLQIEISA-N 1 2 236.319 1.836 20 0 BDADLO COCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000351474140 355997065 /nfs/dbraw/zinc/99/70/65/355997065.db2.gz FMJCQRKHBPFXHH-SECBINFHSA-N 1 2 239.319 1.797 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623256996 356002732 /nfs/dbraw/zinc/00/27/32/356002732.db2.gz UYRBHVGILGJZHZ-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)C[C@H]1O ZINC000351504880 356004706 /nfs/dbraw/zinc/00/47/06/356004706.db2.gz KZLMTYPAIDLMKH-GXSJLCMTSA-N 1 2 248.330 1.116 20 0 BDADLO C[C@H]1CN(c2cc(NCC3CC3)nc[nH+]2)C[C@H]1O ZINC000351504880 356004711 /nfs/dbraw/zinc/00/47/11/356004711.db2.gz KZLMTYPAIDLMKH-GXSJLCMTSA-N 1 2 248.330 1.116 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747247 355970191 /nfs/dbraw/zinc/97/01/91/355970191.db2.gz BXGWBFURJZIWON-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747247 355970196 /nfs/dbraw/zinc/97/01/96/355970196.db2.gz BXGWBFURJZIWON-HLTSFMKQSA-N 1 2 241.253 1.409 20 0 BDADLO CC(C)CCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257129 356017385 /nfs/dbraw/zinc/01/73/85/356017385.db2.gz DZEXASVEPSMMOY-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)c2noc(C)n2)C[C@@H]1O ZINC000351712834 356066707 /nfs/dbraw/zinc/06/67/07/356066707.db2.gz RRPUCWHYQPVSOF-QNSHHTMESA-N 1 2 225.292 1.142 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)c2noc(C)n2)C[C@@H]1O ZINC000351712834 356066711 /nfs/dbraw/zinc/06/67/11/356066711.db2.gz RRPUCWHYQPVSOF-QNSHHTMESA-N 1 2 225.292 1.142 20 0 BDADLO COc1ncncc1C[NH+]1CC(C)(C)C1 ZINC000639393931 356077164 /nfs/dbraw/zinc/07/71/64/356077164.db2.gz YFSDPZXBFXAGPP-UHFFFAOYSA-N 1 2 207.277 1.327 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261494 356152378 /nfs/dbraw/zinc/15/23/78/356152378.db2.gz UJBONAHOQFKCHQ-NEOSZVFXSA-N 1 2 231.299 1.446 20 0 BDADLO CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCCC1 ZINC000623261475 356152493 /nfs/dbraw/zinc/15/24/93/356152493.db2.gz TXXRIMLWKCFQGF-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262223 356162513 /nfs/dbraw/zinc/16/25/13/356162513.db2.gz TTYRWAGVQGOTMO-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H](c1ccccc1F)[N@H+](C)[C@H]1CCNC1=O ZINC000335919000 356166216 /nfs/dbraw/zinc/16/62/16/356166216.db2.gz VKMUKVWTVYMMEU-CABZTGNLSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccccc1F)[N@@H+](C)[C@H]1CCNC1=O ZINC000335919000 356166220 /nfs/dbraw/zinc/16/62/20/356166220.db2.gz VKMUKVWTVYMMEU-CABZTGNLSA-N 1 2 236.290 1.707 20 0 BDADLO O=C(C[C@H]1C=CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261297 356145118 /nfs/dbraw/zinc/14/51/18/356145118.db2.gz KEMDJWJWYTXRFK-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(C(=O)NC)CC1 ZINC000639441655 356219262 /nfs/dbraw/zinc/21/92/62/356219262.db2.gz GNXDQWTXDRTPOJ-UHFFFAOYSA-N 1 2 234.290 1.490 20 0 BDADLO CC[C@H](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000617636757 356229564 /nfs/dbraw/zinc/22/95/64/356229564.db2.gz HVWYXQZZOHDDQI-QMMMGPOBSA-N 1 2 209.293 1.884 20 0 BDADLO CCC(C)(C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623264443 356236366 /nfs/dbraw/zinc/23/63/66/356236366.db2.gz LQYOKKLBYXDIMJ-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC12CCC2 ZINC000623264507 356236443 /nfs/dbraw/zinc/23/64/43/356236443.db2.gz NEPINBKZQKXYOH-KOLCDFICSA-N 1 2 231.299 1.114 20 0 BDADLO CN(C)C(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000351912434 356197416 /nfs/dbraw/zinc/19/74/16/356197416.db2.gz IWMYWWLEQSFXOK-UHFFFAOYSA-N 1 2 245.282 1.339 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[S@@]1=O ZINC000351913726 356197636 /nfs/dbraw/zinc/19/76/36/356197636.db2.gz VFOCREKFOQRZKV-HFAKWTLXSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[S@@]1=O ZINC000351913726 356197639 /nfs/dbraw/zinc/19/76/39/356197639.db2.gz VFOCREKFOQRZKV-HFAKWTLXSA-N 1 2 231.361 1.008 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H]1CCc2ncnn21 ZINC000639469560 356255718 /nfs/dbraw/zinc/25/57/18/356255718.db2.gz SVXZHNKIBURTKT-SECBINFHSA-N 1 2 244.289 1.743 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H]1CCc2ncnn21 ZINC000639469560 356255720 /nfs/dbraw/zinc/25/57/20/356255720.db2.gz SVXZHNKIBURTKT-SECBINFHSA-N 1 2 244.289 1.743 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639458573 356245473 /nfs/dbraw/zinc/24/54/73/356245473.db2.gz SHFQWVJCSKDFES-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nc(C2CCC2)no1 ZINC000639458573 356245476 /nfs/dbraw/zinc/24/54/76/356245476.db2.gz SHFQWVJCSKDFES-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000336110054 134085658 /nfs/dbraw/zinc/08/56/58/134085658.db2.gz XRFPKWHPHJHKIE-GHMZBOCLSA-N 1 2 220.320 1.878 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000336110054 134085659 /nfs/dbraw/zinc/08/56/59/134085659.db2.gz XRFPKWHPHJHKIE-GHMZBOCLSA-N 1 2 220.320 1.878 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265334 356293104 /nfs/dbraw/zinc/29/31/04/356293104.db2.gz CMAKJRMNMRHXCA-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO CC1(C)CC[N@H+](Cc2c[nH]nn2)CCS1 ZINC000336271699 356327669 /nfs/dbraw/zinc/32/76/69/356327669.db2.gz LLYUSOLYIROWSP-UHFFFAOYSA-N 1 2 226.349 1.522 20 0 BDADLO CC1(C)CC[N@@H+](Cc2c[nH]nn2)CCS1 ZINC000336271699 356327670 /nfs/dbraw/zinc/32/76/70/356327670.db2.gz LLYUSOLYIROWSP-UHFFFAOYSA-N 1 2 226.349 1.522 20 0 BDADLO CC1(C)CC[N@H+](Cc2cnn[nH]2)CCS1 ZINC000336271699 356327671 /nfs/dbraw/zinc/32/76/71/356327671.db2.gz LLYUSOLYIROWSP-UHFFFAOYSA-N 1 2 226.349 1.522 20 0 BDADLO CC1(C)CC[N@@H+](Cc2cnn[nH]2)CCS1 ZINC000336271699 356327672 /nfs/dbraw/zinc/32/76/72/356327672.db2.gz LLYUSOLYIROWSP-UHFFFAOYSA-N 1 2 226.349 1.522 20 0 BDADLO CC1(C)CC[N@@H+](Cc2cn[nH]n2)CCS1 ZINC000336271699 356327674 /nfs/dbraw/zinc/32/76/74/356327674.db2.gz LLYUSOLYIROWSP-UHFFFAOYSA-N 1 2 226.349 1.522 20 0 BDADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000623266313 356304418 /nfs/dbraw/zinc/30/44/18/356304418.db2.gz YAIWJUDWYQVXJZ-UWVGGRQHSA-N 1 2 245.282 1.321 20 0 BDADLO CC[C@]1(O)CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000336119296 134089656 /nfs/dbraw/zinc/08/96/56/134089656.db2.gz ZABNMWBTRKPQRU-ZDUSSCGKSA-N 1 2 249.314 1.191 20 0 BDADLO Cc1ccc(NC(=O)N2C[C@@H](C)[C@@H](O)C2)c(C)[nH+]1 ZINC000352181769 134093848 /nfs/dbraw/zinc/09/38/48/134093848.db2.gz IDHKHUHTMCAVMD-PELKAZGASA-N 1 2 249.314 1.543 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000639501815 356328668 /nfs/dbraw/zinc/32/86/68/356328668.db2.gz YIVXHGNAHFDZBE-SECBINFHSA-N 1 2 239.237 1.619 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000639501815 356328671 /nfs/dbraw/zinc/32/86/71/356328671.db2.gz YIVXHGNAHFDZBE-SECBINFHSA-N 1 2 239.237 1.619 20 0 BDADLO CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623268481 356337853 /nfs/dbraw/zinc/33/78/53/356337853.db2.gz OOFHTBLUGVNSTC-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000302741871 181271438 /nfs/dbraw/zinc/27/14/38/181271438.db2.gz LHLIYXQAISYDAZ-NSHDSACASA-N 1 2 238.718 1.790 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000302741871 181271441 /nfs/dbraw/zinc/27/14/41/181271441.db2.gz LHLIYXQAISYDAZ-NSHDSACASA-N 1 2 238.718 1.790 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000639541998 356395035 /nfs/dbraw/zinc/39/50/35/356395035.db2.gz SJJPFTHUIUHJKI-LLVKDONJSA-N 1 2 248.330 1.381 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000639541998 356395039 /nfs/dbraw/zinc/39/50/39/356395039.db2.gz SJJPFTHUIUHJKI-LLVKDONJSA-N 1 2 248.330 1.381 20 0 BDADLO CCc1occc1C(=O)Nc1cc[nH+]cc1O ZINC000336150447 134104152 /nfs/dbraw/zinc/10/41/52/134104152.db2.gz XXYKDKLHIDVFSV-UHFFFAOYSA-N 1 2 232.239 1.617 20 0 BDADLO CC(C)SCC(=O)NCCc1[nH]cc[nH+]1 ZINC000128727109 324877934 /nfs/dbraw/zinc/87/79/34/324877934.db2.gz NWALAJQDTDTYFU-UHFFFAOYSA-N 1 2 227.333 1.210 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccsc1 ZINC000623280356 356452022 /nfs/dbraw/zinc/45/20/22/356452022.db2.gz UVHMTKJIJYYVGS-VIFPVBQESA-N 1 2 233.296 1.299 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CC)C[C@@H](C)O ZINC000352214451 134108404 /nfs/dbraw/zinc/10/84/04/134108404.db2.gz ZMSHGRNISCKZSR-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CC)C[C@@H](C)O ZINC000352214451 134108405 /nfs/dbraw/zinc/10/84/05/134108405.db2.gz ZMSHGRNISCKZSR-SNVBAGLBSA-N 1 2 240.351 1.199 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](CCc2cnccn2)CCN1C ZINC000639558720 356464205 /nfs/dbraw/zinc/46/42/05/356464205.db2.gz HRCMICRYOCOWMQ-RYUDHWBXSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](CCc2cnccn2)CCN1C ZINC000639558720 356464206 /nfs/dbraw/zinc/46/42/06/356464206.db2.gz HRCMICRYOCOWMQ-RYUDHWBXSA-N 1 2 234.347 1.044 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc2nccn21 ZINC000336162004 134111346 /nfs/dbraw/zinc/11/13/46/134111346.db2.gz GYTXWFJEVWTDIC-PWSUYJOCSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc2nccn21 ZINC000336162004 134111347 /nfs/dbraw/zinc/11/13/47/134111347.db2.gz GYTXWFJEVWTDIC-PWSUYJOCSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)CN1Cc1cccc2[nH+]ccn21 ZINC000336162004 134111348 /nfs/dbraw/zinc/11/13/48/134111348.db2.gz GYTXWFJEVWTDIC-PWSUYJOCSA-N 1 2 249.289 1.239 20 0 BDADLO O=C(Cc1cccs1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623282240 356467808 /nfs/dbraw/zinc/46/78/08/356467808.db2.gz QKEJXGVNQRVXTR-SECBINFHSA-N 1 2 247.323 1.228 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000066563108 181279629 /nfs/dbraw/zinc/27/96/29/181279629.db2.gz ZTYWMVFXXMWAJO-GFCCVEGCSA-N 1 2 236.290 1.666 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000066563108 181279631 /nfs/dbraw/zinc/27/96/31/181279631.db2.gz ZTYWMVFXXMWAJO-GFCCVEGCSA-N 1 2 236.290 1.666 20 0 BDADLO CC[C@H](C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000420656374 192256317 /nfs/dbraw/zinc/25/63/17/192256317.db2.gz UOWKCLMWYPDIJU-VIFPVBQESA-N 1 2 246.318 1.703 20 0 BDADLO Cc1cc(CNc2ncc(F)cn2)cc(C)[nH+]1 ZINC000420656798 192256417 /nfs/dbraw/zinc/25/64/17/192256417.db2.gz VMFYQHLUHSPUCF-UHFFFAOYSA-N 1 2 232.262 1.662 20 0 BDADLO NC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000263772084 181280518 /nfs/dbraw/zinc/28/05/18/181280518.db2.gz NJIHIWAVKRQEHK-VIFPVBQESA-N 1 2 244.298 1.265 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C[C@@H]2CCOC2)n1 ZINC000420913194 192272170 /nfs/dbraw/zinc/27/21/70/192272170.db2.gz IOIAABPUXNITOS-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C[C@@H]2CCOC2)n1 ZINC000420913194 192272171 /nfs/dbraw/zinc/27/21/71/192272171.db2.gz IOIAABPUXNITOS-VIFPVBQESA-N 1 2 243.738 1.542 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000639589405 356512865 /nfs/dbraw/zinc/51/28/65/356512865.db2.gz NBVOLUOXVCHJSC-CQSZACIVSA-N 1 2 231.295 1.707 20 0 BDADLO CC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000639589405 356512867 /nfs/dbraw/zinc/51/28/67/356512867.db2.gz NBVOLUOXVCHJSC-CQSZACIVSA-N 1 2 231.295 1.707 20 0 BDADLO CCc1nc([C@H](C)[NH2+]CC(C)=O)cs1 ZINC000639579474 356500070 /nfs/dbraw/zinc/50/00/70/356500070.db2.gz DJGMOLKNQYISLH-QMMMGPOBSA-N 1 2 212.318 1.945 20 0 BDADLO C[C@H]([NH2+]Cc1nc(C2CCC2)no1)c1cn[nH]c1 ZINC000639583919 356505825 /nfs/dbraw/zinc/50/58/25/356505825.db2.gz SGRUOZQHIGQBDY-QMMMGPOBSA-N 1 2 247.302 1.911 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639588683 356511512 /nfs/dbraw/zinc/51/15/12/356511512.db2.gz SYXBAQYOZKXPJA-VHSXEESVSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccns1 ZINC000639588683 356511514 /nfs/dbraw/zinc/51/15/14/356511514.db2.gz SYXBAQYOZKXPJA-VHSXEESVSA-N 1 2 242.344 1.115 20 0 BDADLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(C)=O)C1 ZINC000639602398 356521246 /nfs/dbraw/zinc/52/12/46/356521246.db2.gz UGHMNDXHUCSGMT-SECBINFHSA-N 1 2 239.237 1.619 20 0 BDADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(C)=O)C1 ZINC000639602398 356521250 /nfs/dbraw/zinc/52/12/50/356521250.db2.gz UGHMNDXHUCSGMT-SECBINFHSA-N 1 2 239.237 1.619 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H](CC)O1 ZINC000420946914 192276957 /nfs/dbraw/zinc/27/69/57/192276957.db2.gz MFXRTRLWDMQYKM-TXEJJXNPSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H](CC)O1 ZINC000420946914 192276959 /nfs/dbraw/zinc/27/69/59/192276959.db2.gz MFXRTRLWDMQYKM-TXEJJXNPSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000639606781 356527143 /nfs/dbraw/zinc/52/71/43/356527143.db2.gz OOHCFLUFNOWEHJ-IVZWLZJFSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000639606781 356527147 /nfs/dbraw/zinc/52/71/47/356527147.db2.gz OOHCFLUFNOWEHJ-IVZWLZJFSA-N 1 2 235.274 1.113 20 0 BDADLO CC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000639624128 356543453 /nfs/dbraw/zinc/54/34/53/356543453.db2.gz PDEYLMCOZUVYMM-RWMBFGLXSA-N 1 2 241.331 1.234 20 0 BDADLO CC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000639624128 356543458 /nfs/dbraw/zinc/54/34/58/356543458.db2.gz PDEYLMCOZUVYMM-RWMBFGLXSA-N 1 2 241.331 1.234 20 0 BDADLO Cn1c[nH+]cc1Cc1nc([C@H]2CCCOC2)no1 ZINC000350446822 366278545 /nfs/dbraw/zinc/27/85/45/366278545.db2.gz GVNAEXKBZVZMIQ-VIFPVBQESA-N 1 2 248.286 1.288 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000578115432 366271350 /nfs/dbraw/zinc/27/13/50/366271350.db2.gz JESUASDFVQNVCH-AAEUAGOBSA-N 1 2 245.326 1.980 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000639625172 356538452 /nfs/dbraw/zinc/53/84/52/356538452.db2.gz PVGMYQQOJBYHME-UHFFFAOYSA-N 1 2 221.304 1.621 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000639625172 356538456 /nfs/dbraw/zinc/53/84/56/356538456.db2.gz PVGMYQQOJBYHME-UHFFFAOYSA-N 1 2 221.304 1.621 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984241 192290464 /nfs/dbraw/zinc/29/04/64/192290464.db2.gz DYHMTJRVOATWTP-SECBINFHSA-N 1 2 214.284 1.246 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420984241 192290467 /nfs/dbraw/zinc/29/04/67/192290467.db2.gz DYHMTJRVOATWTP-SECBINFHSA-N 1 2 214.284 1.246 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000179721078 366291277 /nfs/dbraw/zinc/29/12/77/366291277.db2.gz LUQQTVALXOFCJD-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000179721078 366291283 /nfs/dbraw/zinc/29/12/83/366291283.db2.gz LUQQTVALXOFCJD-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000639648153 356554546 /nfs/dbraw/zinc/55/45/46/356554546.db2.gz YKEGDVUDUDVOIQ-UWVGGRQHSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000639648153 356554547 /nfs/dbraw/zinc/55/45/47/356554547.db2.gz YKEGDVUDUDVOIQ-UWVGGRQHSA-N 1 2 235.274 1.379 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H](O)C1CCC1 ZINC000449817416 202042289 /nfs/dbraw/zinc/04/22/89/202042289.db2.gz GYHNVSJOKUOBQH-NSHDSACASA-N 1 2 236.271 1.190 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cncs1 ZINC000623298508 356555588 /nfs/dbraw/zinc/55/55/88/356555588.db2.gz CJAGZTLZAVLDFE-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@]23CCOC3)c(C)[nH]1 ZINC000421024338 192305945 /nfs/dbraw/zinc/30/59/45/192305945.db2.gz RWFUBXXFAFYMQR-AWEZNQCLSA-N 1 2 248.326 1.679 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CC[C@@]23CCOC3)c(C)[nH]1 ZINC000421024338 192305947 /nfs/dbraw/zinc/30/59/47/192305947.db2.gz RWFUBXXFAFYMQR-AWEZNQCLSA-N 1 2 248.326 1.679 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299773 356559456 /nfs/dbraw/zinc/55/94/56/356559456.db2.gz CPJACCHFZZXSTO-ZJUUUORDSA-N 1 2 221.304 1.360 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000639659082 356566746 /nfs/dbraw/zinc/56/67/46/356566746.db2.gz LWZLEWYEWXALKU-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](O)CC1 ZINC000639659082 356566750 /nfs/dbraw/zinc/56/67/50/356566750.db2.gz LWZLEWYEWXALKU-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000639655320 356562960 /nfs/dbraw/zinc/56/29/60/356562960.db2.gz NDCMBXLWIMPHLA-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000639655320 356562961 /nfs/dbraw/zinc/56/29/61/356562961.db2.gz NDCMBXLWIMPHLA-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000449957541 202059701 /nfs/dbraw/zinc/05/97/01/202059701.db2.gz CWZNVRCGHBTYON-IJLUTSLNSA-N 1 2 235.331 1.682 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC(=O)N[C@H](C)C2)c(C)n1 ZINC000639666793 356580841 /nfs/dbraw/zinc/58/08/41/356580841.db2.gz VTLRXHRYBDMAGK-LLVKDONJSA-N 1 2 247.342 1.327 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC(=O)N[C@H](C)C2)c(C)n1 ZINC000639666793 356580844 /nfs/dbraw/zinc/58/08/44/356580844.db2.gz VTLRXHRYBDMAGK-LLVKDONJSA-N 1 2 247.342 1.327 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302299 356581917 /nfs/dbraw/zinc/58/19/17/356581917.db2.gz CWKOCODKFLZLBA-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302461 356582585 /nfs/dbraw/zinc/58/25/85/356582585.db2.gz HGGICIDIKZFENF-CSXHZRMWSA-N 1 2 245.326 1.837 20 0 BDADLO CCc1nc(N(CCO)[C@@H](C)CC)cc(C)[nH+]1 ZINC000288489301 363493146 /nfs/dbraw/zinc/49/31/46/363493146.db2.gz LSXLBLKJWZEBDH-NSHDSACASA-N 1 2 237.347 1.945 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC12CCC2 ZINC000623307869 356613996 /nfs/dbraw/zinc/61/39/96/356613996.db2.gz PTVYIPGQAYBOID-CMPLNLGQSA-N 1 2 245.326 1.504 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623307846 356614082 /nfs/dbraw/zinc/61/40/82/356614082.db2.gz PCEJBDMEUAWKTR-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO Cn1c[nH+]cc1CNc1ncc(Cl)cn1 ZINC000336660352 538456103 /nfs/dbraw/zinc/45/61/03/538456103.db2.gz BVSLCWGGJUXLJH-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1c[nH]cc1C1CC1 ZINC000639687891 356596003 /nfs/dbraw/zinc/59/60/03/356596003.db2.gz SYRAQOZOZXSHHL-UHFFFAOYSA-N 1 2 244.298 1.556 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1cccnc1 ZINC000639686985 356596708 /nfs/dbraw/zinc/59/67/08/356596708.db2.gz AEOXUBWRYRJIMU-GRYCIOLGSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1cccnc1 ZINC000639686985 356596710 /nfs/dbraw/zinc/59/67/10/356596710.db2.gz AEOXUBWRYRJIMU-GRYCIOLGSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@]12COC[C@]1(C)CN(c1cc(CO)cc[nH+]1)C2 ZINC000630091537 363509572 /nfs/dbraw/zinc/50/95/72/363509572.db2.gz HMUFDWYDISMTEI-OKILXGFUSA-N 1 2 248.326 1.437 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnc(C2CC2)o1 ZINC000639698025 356605703 /nfs/dbraw/zinc/60/57/03/356605703.db2.gz DJAHBIQCXAUUPB-UHFFFAOYSA-N 1 2 243.266 1.930 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[C@@H]1C)CC2 ZINC000627213932 363510162 /nfs/dbraw/zinc/51/01/62/363510162.db2.gz TXKMWWRZVGVBQA-WCQGTBRESA-N 1 2 247.342 1.669 20 0 BDADLO C[C@]1(C2CC2)CN(c2cc(CO)cc[nH+]2)CCO1 ZINC000630094922 363541616 /nfs/dbraw/zinc/54/16/16/363541616.db2.gz MXGFMIFPGRGMMT-CQSZACIVSA-N 1 2 248.326 1.579 20 0 BDADLO CC[N@H+](Cc1nc(C(=O)OC)cs1)C1CC1 ZINC000450256376 202111361 /nfs/dbraw/zinc/11/13/61/202111361.db2.gz PSSOKJQHJQWZAA-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CC[N@@H+](Cc1nc(C(=O)OC)cs1)C1CC1 ZINC000450256376 202111364 /nfs/dbraw/zinc/11/13/64/202111364.db2.gz PSSOKJQHJQWZAA-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CC[N@H+](Cc1cnn[nH]1)Cc1ccc(OC)cc1 ZINC000450272075 202115420 /nfs/dbraw/zinc/11/54/20/202115420.db2.gz VNUUMTKBDQMPCZ-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CC[N@@H+](Cc1cnn[nH]1)Cc1ccc(OC)cc1 ZINC000450272075 202115422 /nfs/dbraw/zinc/11/54/22/202115422.db2.gz VNUUMTKBDQMPCZ-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CC[N@H+](Cc1c[nH]nn1)Cc1ccc(OC)cc1 ZINC000450272075 202115424 /nfs/dbraw/zinc/11/54/24/202115424.db2.gz VNUUMTKBDQMPCZ-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CC[N@@H+](Cc1c[nH]nn1)Cc1ccc(OC)cc1 ZINC000450272075 202115428 /nfs/dbraw/zinc/11/54/28/202115428.db2.gz VNUUMTKBDQMPCZ-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO COC(=O)c1csc(C[N@H+](C)CC2CC2)n1 ZINC000450271382 202117157 /nfs/dbraw/zinc/11/71/57/202117157.db2.gz QOQKRCXHBGETRP-UHFFFAOYSA-N 1 2 240.328 1.772 20 0 BDADLO COC(=O)c1csc(C[N@@H+](C)CC2CC2)n1 ZINC000450271382 202117159 /nfs/dbraw/zinc/11/71/59/202117159.db2.gz QOQKRCXHBGETRP-UHFFFAOYSA-N 1 2 240.328 1.772 20 0 BDADLO COCC[N@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000450354012 202140955 /nfs/dbraw/zinc/14/09/55/202140955.db2.gz IPVMQGDOKIIPPT-UHFFFAOYSA-N 1 2 249.301 1.959 20 0 BDADLO COCC[N@@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000450354012 202140958 /nfs/dbraw/zinc/14/09/58/202140958.db2.gz IPVMQGDOKIIPPT-UHFFFAOYSA-N 1 2 249.301 1.959 20 0 BDADLO COC(=O)c1ccc(C[NH2+][C@H](C)C(C)(F)F)[nH]1 ZINC000389450725 356676130 /nfs/dbraw/zinc/67/61/30/356676130.db2.gz SMDIUKNYSGQYJZ-SSDOTTSWSA-N 1 2 246.257 1.935 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389480656 356688191 /nfs/dbraw/zinc/68/81/91/356688191.db2.gz UUVQZKSFFWBAKQ-HTQZYQBOSA-N 1 2 243.319 1.443 20 0 BDADLO CC(C)C[N@@H+]1CC[C@@H](CN=c2[nH]ncs2)C1 ZINC000450380897 202147340 /nfs/dbraw/zinc/14/73/40/202147340.db2.gz SGJQROGMCPEDJW-JTQLQIEISA-N 1 2 240.376 1.350 20 0 BDADLO CC(C)C[N@H+]1CC[C@@H](CN=c2[nH]ncs2)C1 ZINC000450380897 202147342 /nfs/dbraw/zinc/14/73/42/202147342.db2.gz SGJQROGMCPEDJW-JTQLQIEISA-N 1 2 240.376 1.350 20 0 BDADLO CC(C)CNC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733144 325025553 /nfs/dbraw/zinc/02/55/53/325025553.db2.gz XNAKOGJFALVITI-VIFPVBQESA-N 1 2 241.360 1.566 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389473393 356680977 /nfs/dbraw/zinc/68/09/77/356680977.db2.gz VHUWBMGTHSAXOY-QMMMGPOBSA-N 1 2 217.263 1.862 20 0 BDADLO Cc1c(C[NH2+][C@H](C)C(C)(F)F)cnn1C ZINC000389471969 356683677 /nfs/dbraw/zinc/68/36/77/356683677.db2.gz SKXGKOVZGZVBLD-MRVPVSSYSA-N 1 2 217.263 1.862 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000450423628 202159805 /nfs/dbraw/zinc/15/98/05/202159805.db2.gz OVJIQIDYLHAYED-GDLVEWKHSA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000450423628 202159807 /nfs/dbraw/zinc/15/98/07/202159807.db2.gz OVJIQIDYLHAYED-GDLVEWKHSA-N 1 2 245.388 1.587 20 0 BDADLO CCOCC[N@H+](CC)[C@@H](C)c1csnn1 ZINC000450397844 202153178 /nfs/dbraw/zinc/15/31/78/202153178.db2.gz YRPYSFNSCPIJHW-VIFPVBQESA-N 1 2 229.349 1.958 20 0 BDADLO CCOCC[N@@H+](CC)[C@@H](C)c1csnn1 ZINC000450397844 202153180 /nfs/dbraw/zinc/15/31/80/202153180.db2.gz YRPYSFNSCPIJHW-VIFPVBQESA-N 1 2 229.349 1.958 20 0 BDADLO c1nnsc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776618 356718098 /nfs/dbraw/zinc/71/80/98/356718098.db2.gz NYTZOKZNNQIXMB-SNVBAGLBSA-N 1 2 235.316 1.598 20 0 BDADLO c1nnsc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776618 356718101 /nfs/dbraw/zinc/71/81/01/356718101.db2.gz NYTZOKZNNQIXMB-SNVBAGLBSA-N 1 2 235.316 1.598 20 0 BDADLO FC(F)(F)COCCOCc1[nH]cc[nH+]1 ZINC000180030999 366358730 /nfs/dbraw/zinc/35/87/30/366358730.db2.gz NEOXHOKWIWUXLW-UHFFFAOYSA-N 1 2 224.182 1.505 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000639798551 356759416 /nfs/dbraw/zinc/75/94/16/356759416.db2.gz HRAHCPAIQZZBBI-IVZWLZJFSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000639798551 356759418 /nfs/dbraw/zinc/75/94/18/356759418.db2.gz HRAHCPAIQZZBBI-IVZWLZJFSA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000639798552 356759580 /nfs/dbraw/zinc/75/95/80/356759580.db2.gz HRAHCPAIQZZBBI-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000639798552 356759581 /nfs/dbraw/zinc/75/95/81/356759581.db2.gz HRAHCPAIQZZBBI-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO Cc1nccnc1C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000639800670 356763973 /nfs/dbraw/zinc/76/39/73/356763973.db2.gz MJOGQCUZBLTWCY-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000639800670 356763976 /nfs/dbraw/zinc/76/39/76/356763976.db2.gz MJOGQCUZBLTWCY-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000639800669 356764085 /nfs/dbraw/zinc/76/40/85/356764085.db2.gz MJOGQCUZBLTWCY-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccnc1C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000639800669 356764088 /nfs/dbraw/zinc/76/40/88/356764088.db2.gz MJOGQCUZBLTWCY-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CC(C)(C)CO2)o1 ZINC000639801114 356764737 /nfs/dbraw/zinc/76/47/37/356764737.db2.gz PDDBYXFMUAWLIK-JTQLQIEISA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CC(C)(C)CO2)o1 ZINC000639801114 356764738 /nfs/dbraw/zinc/76/47/38/356764738.db2.gz PDDBYXFMUAWLIK-JTQLQIEISA-N 1 2 239.319 1.625 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCC1)CC2 ZINC000623351411 356774661 /nfs/dbraw/zinc/77/46/61/356774661.db2.gz PEKSVVNIDJYNKL-NSHDSACASA-N 1 2 233.315 1.376 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000639812955 356791532 /nfs/dbraw/zinc/79/15/32/356791532.db2.gz DFPYVLOKWKIRMI-VHSXEESVSA-N 1 2 246.301 1.632 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000639812955 356791534 /nfs/dbraw/zinc/79/15/34/356791534.db2.gz DFPYVLOKWKIRMI-VHSXEESVSA-N 1 2 246.301 1.632 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000639829723 356814017 /nfs/dbraw/zinc/81/40/17/356814017.db2.gz GIAOSAJWBDRZQB-ZDUSSCGKSA-N 1 2 221.300 1.800 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000639829723 356814019 /nfs/dbraw/zinc/81/40/19/356814019.db2.gz GIAOSAJWBDRZQB-ZDUSSCGKSA-N 1 2 221.300 1.800 20 0 BDADLO CO[C@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000639833644 356820563 /nfs/dbraw/zinc/82/05/63/356820563.db2.gz QBLMIFMAAXEOSW-CMPLNLGQSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000639833644 356820566 /nfs/dbraw/zinc/82/05/66/356820566.db2.gz QBLMIFMAAXEOSW-CMPLNLGQSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639837236 356829575 /nfs/dbraw/zinc/82/95/75/356829575.db2.gz QDNAEBWXGFFJKY-QWRGUYRKSA-N 1 2 229.320 1.106 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639837236 356829579 /nfs/dbraw/zinc/82/95/79/356829579.db2.gz QDNAEBWXGFFJKY-QWRGUYRKSA-N 1 2 229.320 1.106 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114471630 356830299 /nfs/dbraw/zinc/83/02/99/356830299.db2.gz MZAXKBCQFHBRAT-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114471630 356830301 /nfs/dbraw/zinc/83/03/01/356830301.db2.gz MZAXKBCQFHBRAT-MRVPVSSYSA-N 1 2 225.317 1.566 20 0 BDADLO c1coc(-c2noc(CCc3c[nH]c[nH+]3)n2)c1 ZINC000351003681 538698797 /nfs/dbraw/zinc/69/87/97/538698797.db2.gz VKMJPGKMWSGFHE-UHFFFAOYSA-N 1 2 230.227 1.838 20 0 BDADLO c1coc(-c2noc(CCc3c[nH+]c[nH]3)n2)c1 ZINC000351003681 538698804 /nfs/dbraw/zinc/69/88/04/538698804.db2.gz VKMJPGKMWSGFHE-UHFFFAOYSA-N 1 2 230.227 1.838 20 0 BDADLO Nc1nc(NCCCO)[nH+]c2ccccc12 ZINC000041146484 356858391 /nfs/dbraw/zinc/85/83/91/356858391.db2.gz CHBDGGMMKRUMCC-UHFFFAOYSA-N 1 2 218.260 1.006 20 0 BDADLO CN(C)c1nc(NCCO)[nH+]c2ccccc21 ZINC000041147256 356859529 /nfs/dbraw/zinc/85/95/29/356859529.db2.gz OOQDSAOBSLXKJY-UHFFFAOYSA-N 1 2 232.287 1.100 20 0 BDADLO CCN(Cc1[nH+]cc(C)n1C)C[C@H](C)OC ZINC000361019096 356915418 /nfs/dbraw/zinc/91/54/18/356915418.db2.gz WWRPCQRYEOJTEF-NSHDSACASA-N 1 2 225.336 1.585 20 0 BDADLO CC[N@H+](Cc1nnnn1C(C)(C)C)C1CCC1 ZINC000362319913 356943707 /nfs/dbraw/zinc/94/37/07/356943707.db2.gz MKLFOWWOQXTUFQ-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO CC[N@@H+](Cc1nnnn1C(C)(C)C)C1CCC1 ZINC000362319913 356943713 /nfs/dbraw/zinc/94/37/13/356943713.db2.gz MKLFOWWOQXTUFQ-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO CC[N@@H+](Cc1nnc(C)s1)C[C@H](C)OC ZINC000361577146 356933864 /nfs/dbraw/zinc/93/38/64/356933864.db2.gz LLJRSFUZXJFZIX-QMMMGPOBSA-N 1 2 229.349 1.703 20 0 BDADLO CC[N@H+](Cc1nnc(C)s1)C[C@H](C)OC ZINC000361577146 356933866 /nfs/dbraw/zinc/93/38/66/356933866.db2.gz LLJRSFUZXJFZIX-QMMMGPOBSA-N 1 2 229.349 1.703 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c(C#N)c[nH+]1 ZINC000399518822 356968476 /nfs/dbraw/zinc/96/84/76/356968476.db2.gz PXTOQTKMFKCQRG-CKYFFXLPSA-N 1 2 231.299 1.661 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@@H]2C)c(C#N)c[nH+]1 ZINC000399579037 356981934 /nfs/dbraw/zinc/98/19/34/356981934.db2.gz KYYFRTKBILMCHH-MWLCHTKSSA-N 1 2 217.272 1.273 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCOC2=O)[C@H]1[C@H]1CCCO1 ZINC000367706678 356958011 /nfs/dbraw/zinc/95/80/11/356958011.db2.gz ODYMDZCHSFGBDP-MXWKQRLJSA-N 1 2 239.315 1.191 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCOC2=O)[C@H]1[C@H]1CCCO1 ZINC000367706678 356958013 /nfs/dbraw/zinc/95/80/13/356958013.db2.gz ODYMDZCHSFGBDP-MXWKQRLJSA-N 1 2 239.315 1.191 20 0 BDADLO CC[C@@H](NC(=O)COCC(F)F)c1[nH]cc[nH+]1 ZINC000626483570 357047301 /nfs/dbraw/zinc/04/73/01/357047301.db2.gz GMPGOMDIKUUWLT-SSDOTTSWSA-N 1 2 247.245 1.259 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2C[C@@H](O)C2)c(C)c[nH+]1 ZINC000626469905 357006892 /nfs/dbraw/zinc/00/68/92/357006892.db2.gz QVXJFMGXPPOQQC-PHIMTYICSA-N 1 2 249.314 1.013 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CCS1 ZINC000390587755 357102349 /nfs/dbraw/zinc/10/23/49/357102349.db2.gz RJJOPLMHXPVDEI-NWDGAFQWSA-N 1 2 246.420 1.126 20 0 BDADLO CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CCS1 ZINC000390587755 357102352 /nfs/dbraw/zinc/10/23/52/357102352.db2.gz RJJOPLMHXPVDEI-NWDGAFQWSA-N 1 2 246.420 1.126 20 0 BDADLO CCc1cc(C)c(C(=O)NCc2c[nH+]cn2C)o1 ZINC000355272645 538790893 /nfs/dbraw/zinc/79/08/93/538790893.db2.gz UZDTVLQWUZVBTE-UHFFFAOYSA-N 1 2 247.298 1.814 20 0 BDADLO CC[C@H](CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582364461 357111987 /nfs/dbraw/zinc/11/19/87/357111987.db2.gz HYNHXZZWIQPRIR-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO CC[N@@H+](Cc1nnc(C2CC2)o1)C[C@H](C)OC ZINC000582334784 357070837 /nfs/dbraw/zinc/07/08/37/357070837.db2.gz RKYPUZDDCSADLB-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@H+](Cc1nnc(C2CC2)o1)C[C@H](C)OC ZINC000582334784 357070839 /nfs/dbraw/zinc/07/08/39/357070839.db2.gz RKYPUZDDCSADLB-VIFPVBQESA-N 1 2 239.319 1.804 20 0 BDADLO CS(=O)(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000585378375 538800049 /nfs/dbraw/zinc/80/00/49/538800049.db2.gz AQWWIBWASVHFPG-UHFFFAOYSA-N 1 2 243.328 1.289 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000226435496 357148343 /nfs/dbraw/zinc/14/83/43/357148343.db2.gz MNLYQJPAVMALRR-LOKLDPHHSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000226435496 357148346 /nfs/dbraw/zinc/14/83/46/357148346.db2.gz MNLYQJPAVMALRR-LOKLDPHHSA-N 1 2 237.303 1.085 20 0 BDADLO CCc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)no1 ZINC000303992367 357155290 /nfs/dbraw/zinc/15/52/90/357155290.db2.gz MTOQVIMLWBGHBM-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCCC[C@H]2[C@H](C)O)no1 ZINC000303992367 357155291 /nfs/dbraw/zinc/15/52/91/357155291.db2.gz MTOQVIMLWBGHBM-UWVGGRQHSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[NH+]2CCC3(CCO3)CC2)no1 ZINC000374365773 357159729 /nfs/dbraw/zinc/15/97/29/357159729.db2.gz PUWHYHLFEYOCOU-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1nc(C[N@H+](CCCCO)C2CC2)no1 ZINC000304334598 357163409 /nfs/dbraw/zinc/16/34/09/357163409.db2.gz KKGBXYGDEONJNP-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@@H+](CCCCO)C2CC2)no1 ZINC000304334598 357163412 /nfs/dbraw/zinc/16/34/12/357163412.db2.gz KKGBXYGDEONJNP-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCc1ccncc1 ZINC000356773642 538814472 /nfs/dbraw/zinc/81/44/72/538814472.db2.gz FRCDRMRIFMMJBU-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO Fc1cccnc1CNCc1[nH]cc[nH+]1 ZINC000393609486 357289445 /nfs/dbraw/zinc/28/94/45/357289445.db2.gz TYVANHKNFMUSTD-UHFFFAOYSA-N 1 2 206.224 1.234 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOC(C)(C)C)o1 ZINC000393790762 357299350 /nfs/dbraw/zinc/29/93/50/357299350.db2.gz YPWSWXIISFHKHN-QMMMGPOBSA-N 1 2 227.308 1.844 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2cc(C)no2)[nH]1 ZINC000631103048 357246253 /nfs/dbraw/zinc/24/62/53/357246253.db2.gz XXINVUJIFKPRDQ-MRVPVSSYSA-N 1 2 235.291 1.514 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC3(C2)CCCO3)o1 ZINC000628427579 357258376 /nfs/dbraw/zinc/25/83/76/357258376.db2.gz LKVMKTQOWAITTN-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1cc(NC(=O)N2CC=CC2)cc[nH+]1 ZINC000639899563 357277619 /nfs/dbraw/zinc/27/76/19/357277619.db2.gz CHZLBGUBXSSGPX-UHFFFAOYSA-N 1 2 203.245 1.216 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc([C@@H]3C[C@@H]3C)no2)C1 ZINC000582716472 357369917 /nfs/dbraw/zinc/36/99/17/357369917.db2.gz ORKYXSFDENWJRU-AEJSXWLSSA-N 1 2 237.303 1.586 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc([C@@H]3C[C@@H]3C)no2)C1 ZINC000582716472 357369919 /nfs/dbraw/zinc/36/99/19/357369919.db2.gz ORKYXSFDENWJRU-AEJSXWLSSA-N 1 2 237.303 1.586 20 0 BDADLO CCc1cc(N(C)CCCC(=O)OC)nc[nH+]1 ZINC000050086299 357322193 /nfs/dbraw/zinc/32/21/93/357322193.db2.gz FGRZDKIZFFRYPR-UHFFFAOYSA-N 1 2 237.303 1.428 20 0 BDADLO c1cn(Cc2nc(Cc3cscn3)no2)c[nH+]1 ZINC000582699605 357366002 /nfs/dbraw/zinc/36/60/02/357366002.db2.gz XWTWQPXWXNDHNC-UHFFFAOYSA-N 1 2 247.283 1.362 20 0 BDADLO COCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000582853758 357420695 /nfs/dbraw/zinc/42/06/95/357420695.db2.gz DJMNFRSIAWOOPR-UHFFFAOYSA-N 1 2 247.298 1.409 20 0 BDADLO C[C@@H](CNC(=O)[C@@H]1CCC(=O)C1)Cn1cc[nH+]c1 ZINC000582906866 357423606 /nfs/dbraw/zinc/42/36/06/357423606.db2.gz NAOJFTVGEQKPFD-WDEREUQCSA-N 1 2 249.314 1.005 20 0 BDADLO C[C@@H](CC(=O)NCc1ccn(C)c1)n1cc[nH+]c1 ZINC000582907473 357433159 /nfs/dbraw/zinc/43/31/59/357433159.db2.gz IAQPJFZGFOOOHC-NSHDSACASA-N 1 2 246.314 1.489 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000582915990 357436596 /nfs/dbraw/zinc/43/65/96/357436596.db2.gz KLPYTENGCOSCPX-SCVCMEIPSA-N 1 2 235.331 1.741 20 0 BDADLO FC(F)C1([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000584382947 357468932 /nfs/dbraw/zinc/46/89/32/357468932.db2.gz VCXOOXXFZGJVOY-UHFFFAOYSA-N 1 2 238.241 1.797 20 0 BDADLO COCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583209354 357537368 /nfs/dbraw/zinc/53/73/68/357537368.db2.gz MRGUFAYFJDFSCG-UHFFFAOYSA-N 1 2 225.292 1.188 20 0 BDADLO CC1(C)C(C(=O)NCc2c[nH+]c[nH]2)C1(C)C ZINC000085710243 357558911 /nfs/dbraw/zinc/55/89/11/357558911.db2.gz ORMXYHNEKXRCEO-UHFFFAOYSA-N 1 2 221.304 1.708 20 0 BDADLO CC1(C)C(C(=O)NCc2c[nH]c[nH+]2)C1(C)C ZINC000085710243 357558917 /nfs/dbraw/zinc/55/89/17/357558917.db2.gz ORMXYHNEKXRCEO-UHFFFAOYSA-N 1 2 221.304 1.708 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1(CCO)CC1 ZINC000189261368 357626507 /nfs/dbraw/zinc/62/65/07/357626507.db2.gz VRMVWSOHXBZUBY-UHFFFAOYSA-N 1 2 249.314 1.674 20 0 BDADLO COc1cc(-c2cccc(N)[nH+]2)ccn1 ZINC000133313266 538877809 /nfs/dbraw/zinc/87/78/09/538877809.db2.gz SEIHHLIBZUFGJZ-UHFFFAOYSA-N 1 2 201.229 1.734 20 0 BDADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1 ZINC000189540147 357643861 /nfs/dbraw/zinc/64/38/61/357643861.db2.gz MJKMHLMUIKUXRV-STQMWFEESA-N 1 2 249.310 1.185 20 0 BDADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccccc1 ZINC000189540147 357643864 /nfs/dbraw/zinc/64/38/64/357643864.db2.gz MJKMHLMUIKUXRV-STQMWFEESA-N 1 2 249.310 1.185 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1csnn1 ZINC000064027544 357711357 /nfs/dbraw/zinc/71/13/57/357711357.db2.gz QAHBWMJZGUJPAP-UHFFFAOYSA-N 1 2 249.299 1.251 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000232857930 357686495 /nfs/dbraw/zinc/68/64/95/357686495.db2.gz YBWJNRZVAPYUKK-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CCC(=O)CCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000232857930 357686499 /nfs/dbraw/zinc/68/64/99/357686499.db2.gz YBWJNRZVAPYUKK-UHFFFAOYSA-N 1 2 240.347 1.298 20 0 BDADLO CCOC[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000583242973 357690786 /nfs/dbraw/zinc/69/07/86/357690786.db2.gz YAQCDNYWMXCQRQ-GFCCVEGCSA-N 1 2 247.298 1.343 20 0 BDADLO CCOC[C@@H]([NH2+][C@H](CC)C(=O)OCC)C(C)C ZINC000233754543 357743697 /nfs/dbraw/zinc/74/36/97/357743697.db2.gz BUHCSDGYZXHEDL-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC000545934056 325248609 /nfs/dbraw/zinc/24/86/09/325248609.db2.gz KTGKDXSELQPKAB-ABKXIKBNSA-N 1 2 244.360 1.436 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@H](C)C[S@](C)=O)o1 ZINC000545934056 325248613 /nfs/dbraw/zinc/24/86/13/325248613.db2.gz KTGKDXSELQPKAB-ABKXIKBNSA-N 1 2 244.360 1.436 20 0 BDADLO CCC1CCC([NH2+][C@H](C(=O)OC)[C@H](C)O)CC1 ZINC000191962896 357807146 /nfs/dbraw/zinc/80/71/46/357807146.db2.gz FJKKSWFBDIKSEU-XKGSQUFQSA-N 1 2 243.347 1.467 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@@H](C)O ZINC000191966050 357807367 /nfs/dbraw/zinc/80/73/67/357807367.db2.gz QSRSMDHLGVYVJT-KOLCDFICSA-N 1 2 243.347 1.467 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@H](C)O ZINC000191964480 357807373 /nfs/dbraw/zinc/80/73/73/357807373.db2.gz DYGMDHUZEXHYOD-HBNTYKKESA-N 1 2 243.347 1.467 20 0 BDADLO CCC(CC)C[N@@H+]1CC[C@H](C)S(=O)(=O)CC1 ZINC000192048755 357814702 /nfs/dbraw/zinc/81/47/02/357814702.db2.gz WRQGLUJIXKLPKB-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO CCC(CC)C[N@H+]1CC[C@H](C)S(=O)(=O)CC1 ZINC000192048755 357814706 /nfs/dbraw/zinc/81/47/06/357814706.db2.gz WRQGLUJIXKLPKB-NSHDSACASA-N 1 2 247.404 1.932 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@@H+]1C[Si](C)(C)C ZINC000192079646 357817069 /nfs/dbraw/zinc/81/70/69/357817069.db2.gz JHBZBDFRONPHBK-SNVBAGLBSA-N 1 2 249.452 1.373 20 0 BDADLO C[C@@H]1CCS(=O)(=O)CC[N@H+]1C[Si](C)(C)C ZINC000192079646 357817070 /nfs/dbraw/zinc/81/70/70/357817070.db2.gz JHBZBDFRONPHBK-SNVBAGLBSA-N 1 2 249.452 1.373 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926512 357851859 /nfs/dbraw/zinc/85/18/59/357851859.db2.gz YKDHNBOYVGULBY-PSASIEDQSA-N 1 2 222.288 1.536 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926512 357851863 /nfs/dbraw/zinc/85/18/63/357851863.db2.gz YKDHNBOYVGULBY-PSASIEDQSA-N 1 2 222.288 1.536 20 0 BDADLO COc1cccc2c1cc[nH+]c2NCCO ZINC000234911165 357836574 /nfs/dbraw/zinc/83/65/74/357836574.db2.gz TZRDLNCYNXGXLR-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO COc1cccc2c1cc[nH+]c2NC(CO)CO ZINC000234907815 357836777 /nfs/dbraw/zinc/83/67/77/357836777.db2.gz UIXXAXWHPCBPKV-UHFFFAOYSA-N 1 2 248.282 1.009 20 0 BDADLO COc1cccc2c1cc[nH+]c2NC[C@@H](O)CO ZINC000234913444 357836815 /nfs/dbraw/zinc/83/68/15/357836815.db2.gz ATBWWUHOSCORDC-SECBINFHSA-N 1 2 248.282 1.009 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)CC(C)(C)O ZINC000086274671 357879006 /nfs/dbraw/zinc/87/90/06/357879006.db2.gz DCROHGHZOAMRIB-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)CC(C)(C)O ZINC000086274671 357879008 /nfs/dbraw/zinc/87/90/08/357879008.db2.gz DCROHGHZOAMRIB-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)C[N@@H+](CCC(=O)[O-])CCn1cc[nH+]c1 ZINC000584416030 357916023 /nfs/dbraw/zinc/91/60/23/357916023.db2.gz IVHDHUGAKSVQSW-UHFFFAOYSA-N 1 2 239.319 1.316 20 0 BDADLO CC(C)C[N@H+](CCC(=O)[O-])CCn1cc[nH+]c1 ZINC000584416030 357916026 /nfs/dbraw/zinc/91/60/26/357916026.db2.gz IVHDHUGAKSVQSW-UHFFFAOYSA-N 1 2 239.319 1.316 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1[nH]cc[nH+]1 ZINC000610485402 357957774 /nfs/dbraw/zinc/95/77/74/357957774.db2.gz QWLZOJSBOLECLD-SECBINFHSA-N 1 2 239.319 1.572 20 0 BDADLO CCn1cc(CC[N@H+](C)Cc2cn[nH]c2C)cn1 ZINC000639970172 358022386 /nfs/dbraw/zinc/02/23/86/358022386.db2.gz DFJSZATWVWFKGJ-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO CCn1cc(CC[N@@H+](C)Cc2cn[nH]c2C)cn1 ZINC000639970172 358022387 /nfs/dbraw/zinc/02/23/87/358022387.db2.gz DFJSZATWVWFKGJ-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccns1 ZINC000639971506 358030265 /nfs/dbraw/zinc/03/02/65/358030265.db2.gz FACAQZYSCWANNS-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccns1 ZINC000639971506 358030268 /nfs/dbraw/zinc/03/02/68/358030268.db2.gz FACAQZYSCWANNS-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cncc(F)c1 ZINC000639971785 358031663 /nfs/dbraw/zinc/03/16/63/358031663.db2.gz WUFOZTQUXBHTJW-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cncc(F)c1 ZINC000639971785 358031666 /nfs/dbraw/zinc/03/16/66/358031666.db2.gz WUFOZTQUXBHTJW-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCC3)ccn12 ZINC000584538422 358049145 /nfs/dbraw/zinc/04/91/45/358049145.db2.gz PHISQUBGNOGTKN-UHFFFAOYSA-N 1 2 215.256 1.489 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1ccccn1)C(C)C ZINC000037661387 358090039 /nfs/dbraw/zinc/09/00/39/358090039.db2.gz LGITWDFVPGXZIF-GFCCVEGCSA-N 1 2 236.315 1.411 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000628459777 358094412 /nfs/dbraw/zinc/09/44/12/358094412.db2.gz XRROJKDXXZOFMF-NSHDSACASA-N 1 2 241.310 1.289 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000628459777 358094414 /nfs/dbraw/zinc/09/44/14/358094414.db2.gz XRROJKDXXZOFMF-NSHDSACASA-N 1 2 241.310 1.289 20 0 BDADLO CCc1cc(N2CC[C@@](C)(C(=O)OC)C2)nc[nH+]1 ZINC000610737572 358130685 /nfs/dbraw/zinc/13/06/85/358130685.db2.gz YIPQMGQWQYWXKM-CYBMUJFWSA-N 1 2 249.314 1.428 20 0 BDADLO CC1(F)CC[NH+](Cc2ncnn2CCF)CC1 ZINC000640071969 358167399 /nfs/dbraw/zinc/16/73/99/358167399.db2.gz WAYPLQLIANNEQJ-UHFFFAOYSA-N 1 2 244.289 1.572 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@](C)(O)C(F)(F)F ZINC000584729844 358168287 /nfs/dbraw/zinc/16/82/87/358168287.db2.gz GJFHAFSRYVEQRE-VIFPVBQESA-N 1 2 249.236 1.241 20 0 BDADLO CCOCC[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450650752 202225819 /nfs/dbraw/zinc/22/58/19/202225819.db2.gz ZPAILRBZXHTTKE-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO CCOCC[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450650752 202225821 /nfs/dbraw/zinc/22/58/21/202225821.db2.gz ZPAILRBZXHTTKE-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO COCC[N@H+](CCCF)CC(=O)OC(C)(C)C ZINC000610820145 358197457 /nfs/dbraw/zinc/19/74/57/358197457.db2.gz HAYWUTUBKNKHPG-UHFFFAOYSA-N 1 2 249.326 1.636 20 0 BDADLO COCC[N@@H+](CCCF)CC(=O)OC(C)(C)C ZINC000610820145 358197459 /nfs/dbraw/zinc/19/74/59/358197459.db2.gz HAYWUTUBKNKHPG-UHFFFAOYSA-N 1 2 249.326 1.636 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000640128187 358206066 /nfs/dbraw/zinc/20/60/66/358206066.db2.gz KIOZRUREVJNVRS-GWCFXTLKSA-N 1 2 247.298 1.297 20 0 BDADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCCF ZINC000610827924 358213116 /nfs/dbraw/zinc/21/31/16/358213116.db2.gz AWKPYYKZETWTPO-JTQLQIEISA-N 1 2 235.299 1.244 20 0 BDADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCCF ZINC000610827924 358213119 /nfs/dbraw/zinc/21/31/19/358213119.db2.gz AWKPYYKZETWTPO-JTQLQIEISA-N 1 2 235.299 1.244 20 0 BDADLO CC/C=C/CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000450687883 202233755 /nfs/dbraw/zinc/23/37/55/202233755.db2.gz BRLALURXPDFWBM-BQYQJAHWSA-N 1 2 249.362 1.861 20 0 BDADLO CC/C=C/CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000450687883 202233758 /nfs/dbraw/zinc/23/37/58/202233758.db2.gz BRLALURXPDFWBM-BQYQJAHWSA-N 1 2 249.362 1.861 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cnn[nH]2)C[C@@H]1O ZINC000450694404 202236862 /nfs/dbraw/zinc/23/68/62/202236862.db2.gz ORKMWZGNMFBGRG-MNOVXSKESA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C[C@@H]1O ZINC000450694404 202236864 /nfs/dbraw/zinc/23/68/64/202236864.db2.gz ORKMWZGNMFBGRG-MNOVXSKESA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2c[nH]nn2)C[C@@H]1O ZINC000450694404 202236867 /nfs/dbraw/zinc/23/68/67/202236867.db2.gz ORKMWZGNMFBGRG-MNOVXSKESA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C[C@@H]1O ZINC000450694404 202236869 /nfs/dbraw/zinc/23/68/69/202236869.db2.gz ORKMWZGNMFBGRG-MNOVXSKESA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cn[nH]n2)C[C@@H]1O ZINC000450694404 202236873 /nfs/dbraw/zinc/23/68/73/202236873.db2.gz ORKMWZGNMFBGRG-MNOVXSKESA-N 1 2 238.335 1.034 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@@H]1O ZINC000450694404 202236877 /nfs/dbraw/zinc/23/68/77/202236877.db2.gz ORKMWZGNMFBGRG-MNOVXSKESA-N 1 2 238.335 1.034 20 0 BDADLO Cc1nc(NCC2(CF)CCOCC2)cc[nH+]1 ZINC000450733108 202249268 /nfs/dbraw/zinc/24/92/68/202249268.db2.gz MXPQLTRERCMEJI-UHFFFAOYSA-N 1 2 239.294 1.385 20 0 BDADLO C[N@H+](CCc1ccccc1O)Cc1cnn[nH]1 ZINC000450712231 202242102 /nfs/dbraw/zinc/24/21/02/202242102.db2.gz DTSOXRWQVFHXHY-UHFFFAOYSA-N 1 2 232.287 1.185 20 0 BDADLO C[N@@H+](CCc1ccccc1O)Cc1cnn[nH]1 ZINC000450712231 202242106 /nfs/dbraw/zinc/24/21/06/202242106.db2.gz DTSOXRWQVFHXHY-UHFFFAOYSA-N 1 2 232.287 1.185 20 0 BDADLO C[N@H+](CCc1ccccc1O)Cc1c[nH]nn1 ZINC000450712231 202242109 /nfs/dbraw/zinc/24/21/09/202242109.db2.gz DTSOXRWQVFHXHY-UHFFFAOYSA-N 1 2 232.287 1.185 20 0 BDADLO C[N@@H+](CCc1ccccc1O)Cc1c[nH]nn1 ZINC000450712231 202242112 /nfs/dbraw/zinc/24/21/12/202242112.db2.gz DTSOXRWQVFHXHY-UHFFFAOYSA-N 1 2 232.287 1.185 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000225801343 358312595 /nfs/dbraw/zinc/31/25/95/358312595.db2.gz GNRQLLLQVPQTBK-GARJFASQSA-N 1 2 243.347 1.874 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242594 358343667 /nfs/dbraw/zinc/34/36/67/358343667.db2.gz DWRHGIQCIRDRCH-GRYCIOLGSA-N 1 2 242.363 1.353 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242594 358343669 /nfs/dbraw/zinc/34/36/69/358343669.db2.gz DWRHGIQCIRDRCH-GRYCIOLGSA-N 1 2 242.363 1.353 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CC[C@H](C)C1 ZINC000230611990 358408858 /nfs/dbraw/zinc/40/88/58/358408858.db2.gz GXMMZZSAQCYNDE-IUCAKERBSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CC[C@H](C)C1 ZINC000230611990 358408860 /nfs/dbraw/zinc/40/88/60/358408860.db2.gz GXMMZZSAQCYNDE-IUCAKERBSA-N 1 2 236.319 1.916 20 0 BDADLO CC(C)CCc1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000351187765 366445160 /nfs/dbraw/zinc/44/51/60/366445160.db2.gz SACUCKHFKPLUFL-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)CCc1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000351187765 366445164 /nfs/dbraw/zinc/44/51/64/366445164.db2.gz SACUCKHFKPLUFL-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CCn1cc[nH+]c1CNCc1ccno1 ZINC000230972945 358413918 /nfs/dbraw/zinc/41/39/18/358413918.db2.gz QHJOVTJYHXZZRF-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccno1 ZINC000230972945 358413921 /nfs/dbraw/zinc/41/39/21/358413921.db2.gz QHJOVTJYHXZZRF-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO Cc1cc(N(C)CCCn2cc[nH+]c2)n[nH]1 ZINC000640191757 358606399 /nfs/dbraw/zinc/60/63/99/358606399.db2.gz KPGUCNZWBDPYCM-UHFFFAOYSA-N 1 2 219.292 1.441 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCOC[C@H]2C)n1 ZINC000130772099 358643398 /nfs/dbraw/zinc/64/33/98/358643398.db2.gz QBVHUPDXNQDFEN-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cccc(C[N@H+]2CCOC[C@H]2C)n1 ZINC000130772099 358643402 /nfs/dbraw/zinc/64/34/02/358643402.db2.gz QBVHUPDXNQDFEN-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000049114078 358673508 /nfs/dbraw/zinc/67/35/08/358673508.db2.gz POZNBJRBWQHJJZ-SNVBAGLBSA-N 1 2 245.282 1.846 20 0 BDADLO OC[C@H]1C[C@H](O)CN1c1cc2ccccc2c[nH+]1 ZINC000631185148 358747764 /nfs/dbraw/zinc/74/77/64/358747764.db2.gz BELFOCIYFLJHQX-OLZOCXBDSA-N 1 2 244.294 1.167 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@@H]1C1CC1 ZINC000176045557 134290235 /nfs/dbraw/zinc/29/02/35/134290235.db2.gz DNMUVUNSXGWUDD-ZJUUUORDSA-N 1 2 219.288 1.115 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262393909 535436655 /nfs/dbraw/zinc/43/66/55/535436655.db2.gz NDJYPFUJXKFSSW-UWVGGRQHSA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262393909 535436659 /nfs/dbraw/zinc/43/66/59/535436659.db2.gz NDJYPFUJXKFSSW-UWVGGRQHSA-N 1 2 237.303 1.452 20 0 BDADLO Cn1c[nH+]cc1CN1CCOCC12CCC2 ZINC000135517886 358842468 /nfs/dbraw/zinc/84/24/68/358842468.db2.gz SUJXNOJTZLGFRQ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOCC12CCC2 ZINC000135517886 358842474 /nfs/dbraw/zinc/84/24/74/358842474.db2.gz SUJXNOJTZLGFRQ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cncc1C[N@H+]1CCOCC12CCC2 ZINC000135517886 358842480 /nfs/dbraw/zinc/84/24/80/358842480.db2.gz SUJXNOJTZLGFRQ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345823 358857013 /nfs/dbraw/zinc/85/70/13/358857013.db2.gz RXNHOAVINUQCDM-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345823 358857015 /nfs/dbraw/zinc/85/70/15/358857015.db2.gz RXNHOAVINUQCDM-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)n1 ZINC000640219979 358881857 /nfs/dbraw/zinc/88/18/57/358881857.db2.gz PGGNADIFZQRYMZ-ZDUSSCGKSA-N 1 2 249.362 1.755 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@@]2(C)C2CCCCC2)n1 ZINC000640219979 358881861 /nfs/dbraw/zinc/88/18/61/358881861.db2.gz PGGNADIFZQRYMZ-ZDUSSCGKSA-N 1 2 249.362 1.755 20 0 BDADLO CC[C@H](NC(=O)c1ccnn1C)c1[nH]cc[nH+]1 ZINC000140614627 358923242 /nfs/dbraw/zinc/92/32/42/358923242.db2.gz WZKRGTMURIFRDE-QMMMGPOBSA-N 1 2 233.275 1.024 20 0 BDADLO C(C1CCOCC1)[N@@H+]1OC2CCC1CC2 ZINC000640229017 358940342 /nfs/dbraw/zinc/94/03/42/358940342.db2.gz KOTMYKBGIYYUCB-UHFFFAOYSA-N 1 2 211.305 1.971 20 0 BDADLO C(C1CCOCC1)[N@H+]1OC2CCC1CC2 ZINC000640229017 358940346 /nfs/dbraw/zinc/94/03/46/358940346.db2.gz KOTMYKBGIYYUCB-UHFFFAOYSA-N 1 2 211.305 1.971 20 0 BDADLO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCC1(F)F ZINC000308844038 491138811 /nfs/dbraw/zinc/13/88/11/491138811.db2.gz LHOUOGUXFLIZOU-JGVFFNPUSA-N 1 2 241.303 1.197 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCCO1)CC2 ZINC000626613012 358982491 /nfs/dbraw/zinc/98/24/91/358982491.db2.gz ZHKYZIKZXPDVCU-LLVKDONJSA-N 1 2 249.314 1.308 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)CCO ZINC000231158644 359009880 /nfs/dbraw/zinc/00/98/80/359009880.db2.gz JHEQMKCTIIEETC-UHFFFAOYSA-N 1 2 249.318 1.184 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(F)cc1 ZINC000070978968 359067720 /nfs/dbraw/zinc/06/77/20/359067720.db2.gz HHHVCKLAALSPIV-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000070978949 359067836 /nfs/dbraw/zinc/06/78/36/359067836.db2.gz HGRVXIBKICPOJB-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO COc1ncccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070978960 359067949 /nfs/dbraw/zinc/06/79/49/359067949.db2.gz MKGDTZLACVFYIX-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO O=C(Cc1ccc(Cl)cc1)NCc1[nH]cc[nH+]1 ZINC000070990088 359068804 /nfs/dbraw/zinc/06/88/04/359068804.db2.gz UGWJJDACSGBZTJ-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070989910 359069059 /nfs/dbraw/zinc/06/90/59/359069059.db2.gz HRMJUAPNRAOVME-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(C)n1 ZINC000070991066 359069869 /nfs/dbraw/zinc/06/98/69/359069869.db2.gz VQMFVWKSMKATNV-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1cc(C)cc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990267 359069892 /nfs/dbraw/zinc/06/98/92/359069892.db2.gz JCENIKLCWFGXOM-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CC(C)=CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000072840220 359091249 /nfs/dbraw/zinc/09/12/49/359091249.db2.gz YTZUJOIPFLYOMN-JTQLQIEISA-N 1 2 217.334 1.072 20 0 BDADLO CC(C)=CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000072840220 359091250 /nfs/dbraw/zinc/09/12/50/359091250.db2.gz YTZUJOIPFLYOMN-JTQLQIEISA-N 1 2 217.334 1.072 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccncc1 ZINC000070650712 359060637 /nfs/dbraw/zinc/06/06/37/359060637.db2.gz RWKBBBCUMYMEKY-UHFFFAOYSA-N 1 2 216.244 1.077 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000247139370 359196138 /nfs/dbraw/zinc/19/61/38/359196138.db2.gz XCWKHIDDWJKMDP-GHMZBOCLSA-N 1 2 221.304 1.382 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)n[nH]1 ZINC000074685017 359123799 /nfs/dbraw/zinc/12/37/99/359123799.db2.gz JYCQYKDIPHZMHX-UHFFFAOYSA-N 1 2 216.244 1.674 20 0 BDADLO O=C(Nc1cccc2[nH]ccc21)[C@@H]1CSC[NH2+]1 ZINC000074895229 359133336 /nfs/dbraw/zinc/13/33/36/359133336.db2.gz XABKSABUWVCZEU-NSHDSACASA-N 1 2 247.323 1.769 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@H+](C)CC=C(C)C ZINC000611209633 359142537 /nfs/dbraw/zinc/14/25/37/359142537.db2.gz GFUXWPZPRDVSOU-LLVKDONJSA-N 1 2 229.320 1.463 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CC=C(C)C ZINC000611209633 359142538 /nfs/dbraw/zinc/14/25/38/359142538.db2.gz GFUXWPZPRDVSOU-LLVKDONJSA-N 1 2 229.320 1.463 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000246819279 359167326 /nfs/dbraw/zinc/16/73/26/359167326.db2.gz NRDUZOPAOSRHOY-UTUOFQBUSA-N 1 2 247.342 1.702 20 0 BDADLO COC(=O)CCC[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000152523618 359345248 /nfs/dbraw/zinc/34/52/48/359345248.db2.gz ADLZPXXKSLZTOU-JTQLQIEISA-N 1 2 245.319 1.117 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611669110 359414156 /nfs/dbraw/zinc/41/41/56/359414156.db2.gz YVGQQJCNDMRRFS-IEBDPFPHSA-N 1 2 229.295 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611669110 359414159 /nfs/dbraw/zinc/41/41/59/359414159.db2.gz YVGQQJCNDMRRFS-IEBDPFPHSA-N 1 2 229.295 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611502046 359384933 /nfs/dbraw/zinc/38/49/33/359384933.db2.gz MHUZWOJBQKPSPB-LPEHRKFASA-N 1 2 217.284 1.618 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611502046 359384936 /nfs/dbraw/zinc/38/49/36/359384936.db2.gz MHUZWOJBQKPSPB-LPEHRKFASA-N 1 2 217.284 1.618 20 0 BDADLO Cc1nocc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000633334512 359405839 /nfs/dbraw/zinc/40/58/39/359405839.db2.gz RPPIHHXKSSKXSH-XVKPBYJWSA-N 1 2 246.270 1.615 20 0 BDADLO CCCn1nccc1C(=O)NCc1[nH]c[nH+]c1C ZINC000611796286 359452643 /nfs/dbraw/zinc/45/26/43/359452643.db2.gz YBPLUVHHUSOJFK-UHFFFAOYSA-N 1 2 247.302 1.255 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cscn1 ZINC000611795651 359452738 /nfs/dbraw/zinc/45/27/38/359452738.db2.gz TVMLMXGIJIXHJJ-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1[C@H](C)C[C@@H]1C)CC2 ZINC000626725981 359583130 /nfs/dbraw/zinc/58/31/30/359583130.db2.gz KFEXIZDQNQKTKY-TUAOUCFPSA-N 1 2 247.342 1.763 20 0 BDADLO O=C(CCCF)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000612063508 359629956 /nfs/dbraw/zinc/62/99/56/359629956.db2.gz IZMQMIBFVUQXQP-UHFFFAOYSA-N 1 2 239.294 1.865 20 0 BDADLO O=C(CCCF)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000612063508 359629958 /nfs/dbraw/zinc/62/99/58/359629958.db2.gz IZMQMIBFVUQXQP-UHFFFAOYSA-N 1 2 239.294 1.865 20 0 BDADLO COC(=O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000035055302 359649199 /nfs/dbraw/zinc/64/91/99/359649199.db2.gz QAUICGHZVQVJKM-CQSZACIVSA-N 1 2 249.310 1.909 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c2ccncc12)[C@@H](C)O ZINC000450794099 202268559 /nfs/dbraw/zinc/26/85/59/202268559.db2.gz JLIHUPQEKDYOAO-MWLCHTKSSA-N 1 2 231.299 1.623 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c2ccncc12)[C@H](C)O ZINC000450794097 202269039 /nfs/dbraw/zinc/26/90/39/202269039.db2.gz JLIHUPQEKDYOAO-GXSJLCMTSA-N 1 2 231.299 1.623 20 0 BDADLO CCC1(CNc2cc[nH+]c(C)n2)COC1 ZINC000450841561 202283886 /nfs/dbraw/zinc/28/38/86/202283886.db2.gz CPNIBGJYCYPWHD-UHFFFAOYSA-N 1 2 207.277 1.045 20 0 BDADLO CCC1(CNc2cc(C)[nH+]c(C3CC3)n2)COC1 ZINC000450849119 202286854 /nfs/dbraw/zinc/28/68/54/202286854.db2.gz WARFDEBGMFZVGO-UHFFFAOYSA-N 1 2 247.342 1.923 20 0 BDADLO CC(C)c1nc(NC[C@@H](O)C2CCC2)cc[nH+]1 ZINC000450920388 202310363 /nfs/dbraw/zinc/31/03/63/202310363.db2.gz WRDYZMZRMBPZGW-LLVKDONJSA-N 1 2 235.331 1.595 20 0 BDADLO COC[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000450928263 202312593 /nfs/dbraw/zinc/31/25/93/202312593.db2.gz AUNCIQGWZKTTEP-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)NCC1CCCCC1 ZINC000451181995 202369251 /nfs/dbraw/zinc/36/92/51/202369251.db2.gz GHSQYGNBPSGBGX-GFCCVEGCSA-N 1 2 242.338 1.727 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NCC1CCCCC1 ZINC000451181995 202369253 /nfs/dbraw/zinc/36/92/53/202369253.db2.gz GHSQYGNBPSGBGX-GFCCVEGCSA-N 1 2 242.338 1.727 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451180317 202369540 /nfs/dbraw/zinc/36/95/40/202369540.db2.gz CQBBSDIHBCGELL-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451180317 202369542 /nfs/dbraw/zinc/36/95/42/202369542.db2.gz CQBBSDIHBCGELL-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451185318 202373065 /nfs/dbraw/zinc/37/30/65/202373065.db2.gz LHLHAROFXHDCLV-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO CCCCN(CC)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451185318 202373066 /nfs/dbraw/zinc/37/30/66/202373066.db2.gz LHLHAROFXHDCLV-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)nn1 ZINC000451185229 202373442 /nfs/dbraw/zinc/37/34/42/202373442.db2.gz AMIIHXLORFNJIH-QMMMGPOBSA-N 1 2 211.240 1.029 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)nn1 ZINC000451185229 202373445 /nfs/dbraw/zinc/37/34/45/202373445.db2.gz AMIIHXLORFNJIH-QMMMGPOBSA-N 1 2 211.240 1.029 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451195508 202374313 /nfs/dbraw/zinc/37/43/13/202374313.db2.gz XRYDKNJMOOHFCF-GRYCIOLGSA-N 1 2 242.338 1.820 20 0 BDADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451195508 202374316 /nfs/dbraw/zinc/37/43/16/202374316.db2.gz XRYDKNJMOOHFCF-GRYCIOLGSA-N 1 2 242.338 1.820 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451193737 202374928 /nfs/dbraw/zinc/37/49/28/202374928.db2.gz VCLDKRTUJVWKRF-GHMZBOCLSA-N 1 2 230.327 1.725 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451193737 202374931 /nfs/dbraw/zinc/37/49/31/202374931.db2.gz VCLDKRTUJVWKRF-GHMZBOCLSA-N 1 2 230.327 1.725 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451194630 202376148 /nfs/dbraw/zinc/37/61/48/202376148.db2.gz WGPNEAMHNHJRMD-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451194630 202376150 /nfs/dbraw/zinc/37/61/50/202376150.db2.gz WGPNEAMHNHJRMD-WDEREUQCSA-N 1 2 230.327 1.581 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)nc1 ZINC000451193826 202376895 /nfs/dbraw/zinc/37/68/95/202376895.db2.gz JVJQPDQXAGLLTP-SNVBAGLBSA-N 1 2 238.262 1.412 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)nc1 ZINC000451193826 202376899 /nfs/dbraw/zinc/37/68/99/202376899.db2.gz JVJQPDQXAGLLTP-SNVBAGLBSA-N 1 2 238.262 1.412 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451191369 202376919 /nfs/dbraw/zinc/37/69/19/202376919.db2.gz REENQEPGBQMCKP-DCAQKATOSA-N 1 2 230.327 1.724 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451191369 202376922 /nfs/dbraw/zinc/37/69/22/202376922.db2.gz REENQEPGBQMCKP-DCAQKATOSA-N 1 2 230.327 1.724 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H]2CCOC2(C)C)no1 ZINC000451236947 202383995 /nfs/dbraw/zinc/38/39/95/202383995.db2.gz QMYOEXUALWWDOS-SECBINFHSA-N 1 2 239.319 1.850 20 0 BDADLO CC[N@H+](CC(=O)NC(C)(C)CC)C1COC1 ZINC000451281999 202395659 /nfs/dbraw/zinc/39/56/59/202395659.db2.gz CNRMAYXJTWQUAA-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO CC[N@@H+](CC(=O)NC(C)(C)CC)C1COC1 ZINC000451281999 202395663 /nfs/dbraw/zinc/39/56/63/202395663.db2.gz CNRMAYXJTWQUAA-UHFFFAOYSA-N 1 2 228.336 1.012 20 0 BDADLO CC[N@H+](CC(=O)N1CCCCCC1)C1COC1 ZINC000451290357 202398009 /nfs/dbraw/zinc/39/80/09/202398009.db2.gz YGQIIKFBMWUZPN-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC[N@@H+](CC(=O)N1CCCCCC1)C1COC1 ZINC000451290357 202398012 /nfs/dbraw/zinc/39/80/12/202398012.db2.gz YGQIIKFBMWUZPN-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000578729820 366632703 /nfs/dbraw/zinc/63/27/03/366632703.db2.gz JYUWIMQYWYTKHC-TXEJJXNPSA-N 1 2 233.315 1.532 20 0 BDADLO Cc1c(Cl)c(CNc2c[nH]c[nH+]2)nn1C ZINC000578755193 366639014 /nfs/dbraw/zinc/63/90/14/366639014.db2.gz MPSXVDWGJJAHIK-UHFFFAOYSA-N 1 2 225.683 1.717 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)ccn1 ZINC000578763274 366642737 /nfs/dbraw/zinc/64/27/37/366642737.db2.gz SAOUFGCKHFQZMX-NSHDSACASA-N 1 2 233.315 1.091 20 0 BDADLO CC(=O)N1CC([NH2+][C@H](C)c2cscn2)C1 ZINC000578786873 366648589 /nfs/dbraw/zinc/64/85/89/366648589.db2.gz XDSWXMQHDHOYSE-SSDOTTSWSA-N 1 2 225.317 1.024 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1cccnc1 ZINC000088589288 359967938 /nfs/dbraw/zinc/96/79/38/359967938.db2.gz ZCBJRAIAFZREBQ-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc(C2CC2)on1 ZINC000088759426 359977529 /nfs/dbraw/zinc/97/75/29/359977529.db2.gz UNNXNUAVQGEPGA-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc(C2CC2)on1 ZINC000088759426 359977533 /nfs/dbraw/zinc/97/75/33/359977533.db2.gz UNNXNUAVQGEPGA-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1F ZINC000088759200 359977639 /nfs/dbraw/zinc/97/76/39/359977639.db2.gz VOVSXZHVJPFMRX-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1F ZINC000088759200 359977640 /nfs/dbraw/zinc/97/76/40/359977640.db2.gz VOVSXZHVJPFMRX-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO Cn1c[nH+]cc1CNc1cccc(C(N)=O)c1 ZINC000090153509 360059317 /nfs/dbraw/zinc/05/93/17/360059317.db2.gz NAJUIJJTTKXFOC-UHFFFAOYSA-N 1 2 230.271 1.131 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612793415 360060029 /nfs/dbraw/zinc/06/00/29/360060029.db2.gz JHHDDRAFDCOWIN-JMJZKYOTSA-N 1 2 249.314 1.007 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C2CCC1CC2 ZINC000612882065 360155102 /nfs/dbraw/zinc/15/51/02/360155102.db2.gz QAUAVFLQOJIDKR-UNXYVOJBSA-N 1 2 248.330 1.608 20 0 BDADLO Cc1cc(NC(=O)c2cccc(N)n2)cc[nH+]1 ZINC000092366199 360165058 /nfs/dbraw/zinc/16/50/58/360165058.db2.gz FVLUNCKAYRKFCA-UHFFFAOYSA-N 1 2 228.255 1.620 20 0 BDADLO FC(F)CN1CC[NH+](Cc2cncs2)CC1 ZINC000092586484 360183412 /nfs/dbraw/zinc/18/34/12/360183412.db2.gz GHELVIJJOGSYKL-UHFFFAOYSA-N 1 2 247.314 1.526 20 0 BDADLO CC(C)C[NH+](Cc1n[nH]c(=O)[nH]1)CC(C)C ZINC000092617313 360185021 /nfs/dbraw/zinc/18/50/21/360185021.db2.gz QUXPWKPNEZHMIG-UHFFFAOYSA-N 1 2 226.324 1.212 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1c[nH]nc1C ZINC000093359658 360237028 /nfs/dbraw/zinc/23/70/28/360237028.db2.gz HYSVJMJNRIMJSU-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1c[nH]nc1C ZINC000093359658 360237034 /nfs/dbraw/zinc/23/70/34/360237034.db2.gz HYSVJMJNRIMJSU-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612997040 360250200 /nfs/dbraw/zinc/25/02/00/360250200.db2.gz NEMCLIZKSQVVIW-LLVKDONJSA-N 1 2 245.326 1.693 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612997040 360250205 /nfs/dbraw/zinc/25/02/05/360250205.db2.gz NEMCLIZKSQVVIW-LLVKDONJSA-N 1 2 245.326 1.693 20 0 BDADLO O=C(Nc1ccccn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096785760 360354423 /nfs/dbraw/zinc/35/44/23/360354423.db2.gz OWYSISYGMMZHHB-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000096785677 360354179 /nfs/dbraw/zinc/35/41/79/360354179.db2.gz HZJPECFQZXVGJA-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC1 ZINC000096643141 360351355 /nfs/dbraw/zinc/35/13/55/360351355.db2.gz AVUBWFRNJTYSDV-SNVBAGLBSA-N 1 2 219.288 1.068 20 0 BDADLO Cc1ccc(CSCCC(N)=O)c(C)[nH+]1 ZINC000614063835 363721952 /nfs/dbraw/zinc/72/19/52/363721952.db2.gz JCEFGUCEVUPFNS-UHFFFAOYSA-N 1 2 224.329 1.807 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614199266 363740669 /nfs/dbraw/zinc/74/06/69/363740669.db2.gz RDOYSWFUCQPVIT-SECBINFHSA-N 1 2 233.315 1.383 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614199266 363740671 /nfs/dbraw/zinc/74/06/71/363740671.db2.gz RDOYSWFUCQPVIT-SECBINFHSA-N 1 2 233.315 1.383 20 0 BDADLO C[C@@H](O)CCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631118125 360539757 /nfs/dbraw/zinc/53/97/57/360539757.db2.gz FYNDNGGNYYSCRF-MRVPVSSYSA-N 1 2 246.314 1.970 20 0 BDADLO CCCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628917379 360752443 /nfs/dbraw/zinc/75/24/43/360752443.db2.gz IFKXUGDXYSZOMZ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCCC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628917379 360752450 /nfs/dbraw/zinc/75/24/50/360752450.db2.gz IFKXUGDXYSZOMZ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000628917413 360753034 /nfs/dbraw/zinc/75/30/34/360753034.db2.gz NQSOGEXLFRNGOZ-GHMZBOCLSA-N 1 2 242.363 1.115 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C(C)(C)C ZINC000628917413 360753039 /nfs/dbraw/zinc/75/30/39/360753039.db2.gz NQSOGEXLFRNGOZ-GHMZBOCLSA-N 1 2 242.363 1.115 20 0 BDADLO Cc1nc(N2CCC[C@@H](CC(C)C)C2)nc(N)[nH+]1 ZINC000631163635 360739172 /nfs/dbraw/zinc/73/91/72/360739172.db2.gz HDWCVTYZCAKWSG-NSHDSACASA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H](CC(C)C)C2)[nH+]1 ZINC000631163635 360739178 /nfs/dbraw/zinc/73/91/78/360739178.db2.gz HDWCVTYZCAKWSG-NSHDSACASA-N 1 2 249.362 1.855 20 0 BDADLO CSCC[C@H](CO)Nc1cccc[nH+]1 ZINC000154599302 360839560 /nfs/dbraw/zinc/83/95/60/360839560.db2.gz MYFRZLRHGONAKE-SECBINFHSA-N 1 2 212.318 1.608 20 0 BDADLO C[C@]1(CNC(=O)CCc2[nH]cc[nH+]2)C[C@H]2C[C@H]2C1 ZINC000629046181 360841925 /nfs/dbraw/zinc/84/19/25/360841925.db2.gz HBKQWAUBHSYFOJ-YABSGUDNSA-N 1 2 247.342 1.895 20 0 BDADLO CCCC[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000154574531 360830073 /nfs/dbraw/zinc/83/00/73/360830073.db2.gz UFTSNQSLCJWEFV-GFCCVEGCSA-N 1 2 241.331 1.655 20 0 BDADLO CCCC[C@H]([NH2+]CC1=CCCOC1)C(=O)OC ZINC000154574420 360830195 /nfs/dbraw/zinc/83/01/95/360830195.db2.gz UFTSNQSLCJWEFV-LBPRGKRZSA-N 1 2 241.331 1.655 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@]12C[C@H]1CCCC2 ZINC000634092276 360916927 /nfs/dbraw/zinc/91/69/27/360916927.db2.gz XNTDGCIRQMFWEP-ZWNOBZJWSA-N 1 2 233.315 1.791 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CC2=CCCOC2)n1 ZINC000309598610 491152958 /nfs/dbraw/zinc/15/29/58/491152958.db2.gz WYVDBNNNNVQRFW-QMMMGPOBSA-N 1 2 223.276 1.375 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@H]1C[C@@H]1C ZINC000629359825 361005094 /nfs/dbraw/zinc/00/50/94/361005094.db2.gz CKOBCVWSFJVTOS-JGVFFNPUSA-N 1 2 217.276 1.524 20 0 BDADLO COC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169807222 361142424 /nfs/dbraw/zinc/14/24/24/361142424.db2.gz MSTXTEGIIPRNHA-MRVPVSSYSA-N 1 2 209.249 1.356 20 0 BDADLO CCCC[C@@H](COC)Nc1nc(C)[nH+]c(N)n1 ZINC000631123295 361169821 /nfs/dbraw/zinc/16/98/21/361169821.db2.gz QVFQYJVDEIHXJS-VIFPVBQESA-N 1 2 239.323 1.210 20 0 BDADLO CCCC[C@@H](COC)Nc1nc(N)nc(C)[nH+]1 ZINC000631123295 361169822 /nfs/dbraw/zinc/16/98/22/361169822.db2.gz QVFQYJVDEIHXJS-VIFPVBQESA-N 1 2 239.323 1.210 20 0 BDADLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccco1 ZINC000640401123 361196837 /nfs/dbraw/zinc/19/68/37/361196837.db2.gz XEPXKUGYFOUVNU-JTQLQIEISA-N 1 2 245.282 1.622 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000309736197 491155282 /nfs/dbraw/zinc/15/52/82/491155282.db2.gz CJKGZQPRQLWCMC-CMPLNLGQSA-N 1 2 223.320 1.765 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332980927 361268918 /nfs/dbraw/zinc/26/89/18/361268918.db2.gz SHBQWZMMFPLAKY-ZJUUUORDSA-N 1 2 248.330 1.461 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332980927 361268923 /nfs/dbraw/zinc/26/89/23/361268923.db2.gz SHBQWZMMFPLAKY-ZJUUUORDSA-N 1 2 248.330 1.461 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000579139399 366723580 /nfs/dbraw/zinc/72/35/80/366723580.db2.gz GCIBIWSYKQFTMP-VWYCJHECSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000579139399 366723584 /nfs/dbraw/zinc/72/35/84/366723584.db2.gz GCIBIWSYKQFTMP-VWYCJHECSA-N 1 2 235.331 1.845 20 0 BDADLO CC[N@@H+](Cc1nnc(C)[nH]1)C[C@@H]1CCCO1 ZINC000428210562 201001331 /nfs/dbraw/zinc/00/13/31/201001331.db2.gz UBFUGGGIMOBBOV-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO CC[N@H+](Cc1nnc(C)[nH]1)C[C@@H]1CCCO1 ZINC000428210562 201001334 /nfs/dbraw/zinc/00/13/34/201001334.db2.gz UBFUGGGIMOBBOV-JTQLQIEISA-N 1 2 224.308 1.114 20 0 BDADLO Cc1ncc([C@H](C)[NH2+]Cc2cn(C)nn2)s1 ZINC000309773244 491156201 /nfs/dbraw/zinc/15/62/01/491156201.db2.gz LAGAGBSTEUJQDW-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)ncn1 ZINC000428348408 201010205 /nfs/dbraw/zinc/01/02/05/201010205.db2.gz PAOGPTCPWGGWFU-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)ncn1 ZINC000428348408 201010208 /nfs/dbraw/zinc/01/02/08/201010208.db2.gz PAOGPTCPWGGWFU-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ncc(C)o1 ZINC000579196519 366731524 /nfs/dbraw/zinc/73/15/24/366731524.db2.gz HOPBLTRDKSVJFF-HBNTYKKESA-N 1 2 240.303 1.438 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@@H]2CO)[nH]1 ZINC000428451493 201017789 /nfs/dbraw/zinc/01/77/89/201017789.db2.gz BWINGZOWOZHOMR-SNVBAGLBSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCCC[C@@H]2CO)[nH]1 ZINC000428451493 201017792 /nfs/dbraw/zinc/01/77/92/201017792.db2.gz BWINGZOWOZHOMR-SNVBAGLBSA-N 1 2 238.335 1.275 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ncn1 ZINC000428490811 201023634 /nfs/dbraw/zinc/02/36/34/201023634.db2.gz PGFICZBZPCYEHV-QJPTWQEYSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ncn1 ZINC000428490811 201023637 /nfs/dbraw/zinc/02/36/37/201023637.db2.gz PGFICZBZPCYEHV-QJPTWQEYSA-N 1 2 235.331 1.783 20 0 BDADLO CO[C@]1(C)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000428937255 201049816 /nfs/dbraw/zinc/04/98/16/201049816.db2.gz DLARKCWEQJUKBO-LLVKDONJSA-N 1 2 224.308 1.114 20 0 BDADLO CO[C@]1(C)CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000428937255 201049820 /nfs/dbraw/zinc/04/98/20/201049820.db2.gz DLARKCWEQJUKBO-LLVKDONJSA-N 1 2 224.308 1.114 20 0 BDADLO COCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928375 201050668 /nfs/dbraw/zinc/05/06/68/201050668.db2.gz KLDHPIAOKBXGFR-MRVPVSSYSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928375 201050669 /nfs/dbraw/zinc/05/06/69/201050669.db2.gz KLDHPIAOKBXGFR-MRVPVSSYSA-N 1 2 241.253 1.675 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cn2ccccc2n1 ZINC000429128365 201072268 /nfs/dbraw/zinc/07/22/68/201072268.db2.gz ORRQSJQYUGKQQV-UHFFFAOYSA-N 1 2 246.314 1.032 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cn2ccccc2n1 ZINC000429128365 201072271 /nfs/dbraw/zinc/07/22/71/201072271.db2.gz ORRQSJQYUGKQQV-UHFFFAOYSA-N 1 2 246.314 1.032 20 0 BDADLO CCC[C@@H](O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276871 363768981 /nfs/dbraw/zinc/76/89/81/363768981.db2.gz XILWYOPBYMCJGI-LLVKDONJSA-N 1 2 247.298 1.824 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000428970263 201054625 /nfs/dbraw/zinc/05/46/25/201054625.db2.gz YEOLTBYAUAZBPB-WPRPVWTQSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000428970263 201054629 /nfs/dbraw/zinc/05/46/29/201054629.db2.gz YEOLTBYAUAZBPB-WPRPVWTQSA-N 1 2 224.308 1.112 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cn[nH]c1 ZINC000614252905 363771298 /nfs/dbraw/zinc/77/12/98/363771298.db2.gz BVZPCBUWAXWFNI-ONGXEEELSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cn[nH]c1 ZINC000614252905 363771301 /nfs/dbraw/zinc/77/13/01/363771301.db2.gz BVZPCBUWAXWFNI-ONGXEEELSA-N 1 2 237.303 1.183 20 0 BDADLO CCc1nc(C)c(C[N@H+](C)Cc2ccnn2C)o1 ZINC000428976610 201054801 /nfs/dbraw/zinc/05/48/01/201054801.db2.gz JKJJZJIFEOPCAU-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nc(C)c(C[N@@H+](C)Cc2ccnn2C)o1 ZINC000428976610 201054805 /nfs/dbraw/zinc/05/48/05/201054805.db2.gz JKJJZJIFEOPCAU-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cn[nH]c1 ZINC000614252904 363771405 /nfs/dbraw/zinc/77/14/05/363771405.db2.gz BVZPCBUWAXWFNI-MWLCHTKSSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cn[nH]c1 ZINC000614252904 363771407 /nfs/dbraw/zinc/77/14/07/363771407.db2.gz BVZPCBUWAXWFNI-MWLCHTKSSA-N 1 2 237.303 1.183 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)n1 ZINC000429182947 201079058 /nfs/dbraw/zinc/07/90/58/201079058.db2.gz PTCKAVVJFCGUEN-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@H](O)C[C@@H]2C)n1 ZINC000429182947 201079062 /nfs/dbraw/zinc/07/90/62/201079062.db2.gz PTCKAVVJFCGUEN-UWVGGRQHSA-N 1 2 239.319 1.538 20 0 BDADLO CC[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)OC ZINC000429234548 201079751 /nfs/dbraw/zinc/07/97/51/201079751.db2.gz OVLPJYDOCPKXTG-CMPLNLGQSA-N 1 2 249.310 1.401 20 0 BDADLO CCc1nc(C[N@H+](C)C(C)(C)COC)no1 ZINC000429243226 201082951 /nfs/dbraw/zinc/08/29/51/201082951.db2.gz CNMFDPDFYQLJBJ-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nc(C[N@@H+](C)C(C)(C)COC)no1 ZINC000429243226 201082954 /nfs/dbraw/zinc/08/29/54/201082954.db2.gz CNMFDPDFYQLJBJ-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC2CC(O)C2)[nH+]1 ZINC000580510043 361394087 /nfs/dbraw/zinc/39/40/87/361394087.db2.gz OCAATIBVMFYRLO-UHFFFAOYSA-N 1 2 246.314 1.791 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000429268768 201084796 /nfs/dbraw/zinc/08/47/96/201084796.db2.gz AYUNDBSBWHRPHI-LLVKDONJSA-N 1 2 208.309 1.843 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1cn(C(C)C)nn1 ZINC000429268768 201084798 /nfs/dbraw/zinc/08/47/98/201084798.db2.gz AYUNDBSBWHRPHI-LLVKDONJSA-N 1 2 208.309 1.843 20 0 BDADLO CCc1nnc(C[N@H+](C)C(C)(C)COC)o1 ZINC000429267877 201085223 /nfs/dbraw/zinc/08/52/23/201085223.db2.gz ZYTASQVCRNXLAG-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nnc(C[N@@H+](C)C(C)(C)COC)o1 ZINC000429267877 201085226 /nfs/dbraw/zinc/08/52/26/201085226.db2.gz ZYTASQVCRNXLAG-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000429364801 201105032 /nfs/dbraw/zinc/10/50/32/201105032.db2.gz UEQPUJXPCGBWJC-NSHDSACASA-N 1 2 238.331 1.935 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000429364801 201105037 /nfs/dbraw/zinc/10/50/37/201105037.db2.gz UEQPUJXPCGBWJC-NSHDSACASA-N 1 2 238.331 1.935 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1cc(C)ncn1 ZINC000309871207 491157756 /nfs/dbraw/zinc/15/77/56/491157756.db2.gz QTFGXUYAVAWKRD-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc(CCc2c[nH]c[nH+]2)n1 ZINC000579258622 366752506 /nfs/dbraw/zinc/75/25/06/366752506.db2.gz UKPXOQJNGGCECL-APPZFPTMSA-N 1 2 218.260 1.701 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc(CCc2c[nH+]c[nH]2)n1 ZINC000579258622 366752512 /nfs/dbraw/zinc/75/25/12/366752512.db2.gz UKPXOQJNGGCECL-APPZFPTMSA-N 1 2 218.260 1.701 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CC1(O)CCC1 ZINC000429286261 201092995 /nfs/dbraw/zinc/09/29/95/201092995.db2.gz QZLHQWGXMDJWFM-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CC1(O)CCC1 ZINC000429286261 201092998 /nfs/dbraw/zinc/09/29/98/201092998.db2.gz QZLHQWGXMDJWFM-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO COCc1nc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000429572683 201119344 /nfs/dbraw/zinc/11/93/44/201119344.db2.gz WADWXYSWBGFUBH-VHSXEESVSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000429572683 201119347 /nfs/dbraw/zinc/11/93/47/201119347.db2.gz WADWXYSWBGFUBH-VHSXEESVSA-N 1 2 239.319 1.836 20 0 BDADLO CC(C)OC(=O)CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000429691073 201125382 /nfs/dbraw/zinc/12/53/82/201125382.db2.gz UUXRTIZUMLCSGD-JTQLQIEISA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)OC(=O)CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000429691073 201125385 /nfs/dbraw/zinc/12/53/85/201125385.db2.gz UUXRTIZUMLCSGD-JTQLQIEISA-N 1 2 227.304 1.239 20 0 BDADLO COC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000429710958 201130166 /nfs/dbraw/zinc/13/01/66/201130166.db2.gz CUBRRPIUGKNILX-QMMMGPOBSA-N 1 2 225.292 1.550 20 0 BDADLO COCC(C)(C)N(C)Cc1[nH+]cc(C)n1C ZINC000430114648 201145739 /nfs/dbraw/zinc/14/57/39/201145739.db2.gz SHYXWNPDAIDHSA-UHFFFAOYSA-N 1 2 225.336 1.585 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@H](O)C(F)(F)F ZINC000629594427 361486720 /nfs/dbraw/zinc/48/67/20/361486720.db2.gz CIMPOBLIWOIDQQ-YFKPBYRVSA-N 1 2 221.169 1.545 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](SC)C2)no1 ZINC000448545872 201198813 /nfs/dbraw/zinc/19/88/13/201198813.db2.gz NYQNZXPWPFFINX-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](SC)C2)no1 ZINC000448545872 201198816 /nfs/dbraw/zinc/19/88/16/201198816.db2.gz NYQNZXPWPFFINX-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CN(c1cc(N2CCCC2)[nH+]cn1)C1CC(O)C1 ZINC000433764226 201191433 /nfs/dbraw/zinc/19/14/33/201191433.db2.gz DALUZUNODXREPN-UHFFFAOYSA-N 1 2 248.330 1.036 20 0 BDADLO CN(c1cc(N2CCCC2)nc[nH+]1)C1CC(O)C1 ZINC000433764226 201191437 /nfs/dbraw/zinc/19/14/37/201191437.db2.gz DALUZUNODXREPN-UHFFFAOYSA-N 1 2 248.330 1.036 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@]2(C)CCOC2)[nH+]1 ZINC000433770360 201194551 /nfs/dbraw/zinc/19/45/51/201194551.db2.gz DRJFRNNDQLOWFF-ZDUSSCGKSA-N 1 2 246.314 1.527 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@H]1CCSC1 ZINC000434475037 201221859 /nfs/dbraw/zinc/22/18/59/201221859.db2.gz UXRRQAWVIVPCMJ-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@H]1CCSC1 ZINC000434475037 201221861 /nfs/dbraw/zinc/22/18/61/201221861.db2.gz UXRRQAWVIVPCMJ-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO COC(=O)C[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000434957792 201246298 /nfs/dbraw/zinc/24/62/98/201246298.db2.gz ILZPIQHSYJIVNX-SNVBAGLBSA-N 1 2 235.287 1.317 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000154165204 201265730 /nfs/dbraw/zinc/26/57/30/201265730.db2.gz OXPLFVGEUPSVSJ-QMMMGPOBSA-N 1 2 226.349 1.588 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1nsc(N(C)C)n1 ZINC000154165204 201265732 /nfs/dbraw/zinc/26/57/32/201265732.db2.gz OXPLFVGEUPSVSJ-QMMMGPOBSA-N 1 2 226.349 1.588 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cc2nnc3n2CCOC3)C1 ZINC000436118592 201310397 /nfs/dbraw/zinc/31/03/97/201310397.db2.gz PLBJGPPAAPFOFG-JTQLQIEISA-N 1 2 248.330 1.206 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC000436118592 201310400 /nfs/dbraw/zinc/31/04/00/201310400.db2.gz PLBJGPPAAPFOFG-JTQLQIEISA-N 1 2 248.330 1.206 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000155233154 201309086 /nfs/dbraw/zinc/30/90/86/201309086.db2.gz BXJVHNBHAGPZRR-GHMZBOCLSA-N 1 2 229.320 1.487 20 0 BDADLO CCc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(O)c1 ZINC000436821374 201337973 /nfs/dbraw/zinc/33/79/73/201337973.db2.gz PEURUXWKTYHELJ-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC12CC2 ZINC000629829671 361725586 /nfs/dbraw/zinc/72/55/86/361725586.db2.gz HIEXSBIMHATSSN-LLVKDONJSA-N 1 2 247.342 1.659 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cc2c(cccc2F)[nH]1 ZINC000437586078 201360784 /nfs/dbraw/zinc/36/07/84/201360784.db2.gz CPEKDLFDUCFZPE-UHFFFAOYSA-N 1 2 235.262 1.224 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cc2c(cccc2F)[nH]1 ZINC000437586078 201360788 /nfs/dbraw/zinc/36/07/88/201360788.db2.gz CPEKDLFDUCFZPE-UHFFFAOYSA-N 1 2 235.262 1.224 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1COCC1(C)C ZINC000614426574 363812087 /nfs/dbraw/zinc/81/20/87/363812087.db2.gz CYPHIXIHTDIBSS-VIFPVBQESA-N 1 2 237.303 1.183 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1COCC1(C)C ZINC000614426574 363812090 /nfs/dbraw/zinc/81/20/90/363812090.db2.gz CYPHIXIHTDIBSS-VIFPVBQESA-N 1 2 237.303 1.183 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1COCC1(C)C ZINC000614426573 363812225 /nfs/dbraw/zinc/81/22/25/363812225.db2.gz CYPHIXIHTDIBSS-SECBINFHSA-N 1 2 237.303 1.183 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1COCC1(C)C ZINC000614426573 363812230 /nfs/dbraw/zinc/81/22/30/363812230.db2.gz CYPHIXIHTDIBSS-SECBINFHSA-N 1 2 237.303 1.183 20 0 BDADLO CCn1nccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000437963139 201380308 /nfs/dbraw/zinc/38/03/08/201380308.db2.gz NOYGHYFSRKXQPR-LBPRGKRZSA-N 1 2 245.330 1.963 20 0 BDADLO O=C(CCCF)N[C@H]1CCc2c[nH+]cn2C1 ZINC000614702034 363931973 /nfs/dbraw/zinc/93/19/73/363931973.db2.gz FHIBYQGRUOYKDN-VIFPVBQESA-N 1 2 225.267 1.064 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N(C1CC1)C1CC1 ZINC000630394237 364116272 /nfs/dbraw/zinc/11/62/72/364116272.db2.gz KQZNVOFEUGWDME-UHFFFAOYSA-N 1 2 234.303 1.220 20 0 BDADLO CCOCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068256268 370766108 /nfs/dbraw/zinc/76/61/08/370766108.db2.gz SRLRVZMRWURWNX-UHFFFAOYSA-N 1 2 248.326 1.155 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068255963 370766183 /nfs/dbraw/zinc/76/61/83/370766183.db2.gz APVPLSFSYPEBIZ-RISCZKNCSA-N 1 2 244.338 1.774 20 0 BDADLO C[C@H](C(=O)C1CC1)n1cc(C[NH+]2CCCC2)nn1 ZINC000630605439 364335386 /nfs/dbraw/zinc/33/53/86/364335386.db2.gz ZMNDZJSIWIFWCN-SNVBAGLBSA-N 1 2 248.330 1.414 20 0 BDADLO C[C@@H](CC(=O)NCC1CC(C)C1)n1cc[nH+]c1 ZINC000622236749 370781239 /nfs/dbraw/zinc/78/12/39/370781239.db2.gz FBXMTESEMKAGAZ-CXQJBGSLSA-N 1 2 235.331 1.997 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@H]1C(F)(F)F ZINC000615028046 364394534 /nfs/dbraw/zinc/39/45/34/364394534.db2.gz VZWGLJKEBBWFDX-ZETCQYMHSA-N 1 2 233.193 1.046 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000615039104 364405122 /nfs/dbraw/zinc/40/51/22/364405122.db2.gz DNYIEAKCTXPQDL-ZYHUDNBSSA-N 1 2 249.314 1.040 20 0 BDADLO COC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000181683957 366838275 /nfs/dbraw/zinc/83/82/75/366838275.db2.gz SJUSSGNOETYOBC-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCn1cccn1 ZINC000134584115 541358345 /nfs/dbraw/zinc/35/83/45/541358345.db2.gz PZONCBGPLFCCDO-VIFPVBQESA-N 1 2 219.292 1.265 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2(O)CCCC2)[nH]1 ZINC000181773627 366848487 /nfs/dbraw/zinc/84/84/87/366848487.db2.gz NEGHMHDKPNTSHH-UHFFFAOYSA-N 1 2 238.335 1.104 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2(O)CCCC2)[nH]1 ZINC000181773627 366848490 /nfs/dbraw/zinc/84/84/90/366848490.db2.gz NEGHMHDKPNTSHH-UHFFFAOYSA-N 1 2 238.335 1.104 20 0 BDADLO Cc1oncc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000181742550 366844432 /nfs/dbraw/zinc/84/44/32/366844432.db2.gz VCKROCYOZFTVMZ-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1oncc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000181742550 366844436 /nfs/dbraw/zinc/84/44/36/366844436.db2.gz VCKROCYOZFTVMZ-NEPJUHHUSA-N 1 2 249.314 1.226 20 0 BDADLO O=C(C[C@H]1CCOC1)Nc1cccc2[nH+]ccn21 ZINC000579544638 366858925 /nfs/dbraw/zinc/85/89/25/366858925.db2.gz YFACZDWKZCOMGF-SNVBAGLBSA-N 1 2 245.282 1.699 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000551981311 364608624 /nfs/dbraw/zinc/60/86/24/364608624.db2.gz ODSLYXXGJDAMAM-RKDXNWHRSA-N 1 2 213.256 1.955 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000551981311 364608633 /nfs/dbraw/zinc/60/86/33/364608633.db2.gz ODSLYXXGJDAMAM-RKDXNWHRSA-N 1 2 213.256 1.955 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615356743 364721185 /nfs/dbraw/zinc/72/11/85/364721185.db2.gz MAGPAHAKLIGXMN-ZETCQYMHSA-N 1 2 243.257 1.286 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615356743 364721188 /nfs/dbraw/zinc/72/11/88/364721188.db2.gz MAGPAHAKLIGXMN-ZETCQYMHSA-N 1 2 243.257 1.286 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(F)F ZINC000615356905 364721586 /nfs/dbraw/zinc/72/15/86/364721586.db2.gz NXCCDRVIIPTTAP-HTQZYQBOSA-N 1 2 243.257 1.295 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)O ZINC000292872151 364773930 /nfs/dbraw/zinc/77/39/30/364773930.db2.gz TYFFBSULLNRJLQ-SECBINFHSA-N 1 2 249.318 1.325 20 0 BDADLO CCc1cc(N[C@@H]2CC[C@H](C(=O)OC)C2)nc[nH+]1 ZINC000618983087 364777376 /nfs/dbraw/zinc/77/73/76/364777376.db2.gz UQARPIBROSSEQS-GXSJLCMTSA-N 1 2 249.314 1.793 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nnc(CC)[nH]2)o1 ZINC000295927764 364782247 /nfs/dbraw/zinc/78/22/47/364782247.db2.gz FIWPDYWSHMLEAM-UHFFFAOYSA-N 1 2 234.303 1.812 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1C[C@H]1C ZINC000167382093 364791709 /nfs/dbraw/zinc/79/17/09/364791709.db2.gz CMPAEUVRALNYBD-RNFRBKRXSA-N 1 2 208.265 1.135 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1C[C@H]1C ZINC000167382093 364791713 /nfs/dbraw/zinc/79/17/13/364791713.db2.gz CMPAEUVRALNYBD-RNFRBKRXSA-N 1 2 208.265 1.135 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccco1 ZINC000573383809 364819359 /nfs/dbraw/zinc/81/93/59/364819359.db2.gz HYZPWEUWGPFGBQ-JTQLQIEISA-N 1 2 247.298 1.840 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccco1 ZINC000573383809 364819366 /nfs/dbraw/zinc/81/93/66/364819366.db2.gz HYZPWEUWGPFGBQ-JTQLQIEISA-N 1 2 247.298 1.840 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H](O)C2CCC2)[nH+]1 ZINC000573415708 364826966 /nfs/dbraw/zinc/82/69/66/364826966.db2.gz GOLNDSHLIAWJGC-LLVKDONJSA-N 1 2 246.314 1.261 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)Cn1cc[nH+]c1 ZINC000573620759 364876718 /nfs/dbraw/zinc/87/67/18/364876718.db2.gz RGKYDGIEJYIJOW-UWVGGRQHSA-N 1 2 207.277 1.283 20 0 BDADLO CS[C@H](C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601586219 541383874 /nfs/dbraw/zinc/38/38/74/541383874.db2.gz ANVKPGNEMKAZNE-MRVPVSSYSA-N 1 2 242.348 1.303 20 0 BDADLO C[NH2+]Cc1noc([C@H]2CCc3ccccc3O2)n1 ZINC000573665155 364886766 /nfs/dbraw/zinc/88/67/66/364886766.db2.gz RFZUBQRHMXMXFZ-LLVKDONJSA-N 1 2 245.282 1.855 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@@H](C(=O)[O-])C1 ZINC000573926665 364947897 /nfs/dbraw/zinc/94/78/97/364947897.db2.gz CBMZFOXKHHNENA-GXSJLCMTSA-N 1 2 249.314 1.179 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@@H](C(=O)[O-])C1 ZINC000573926665 364947902 /nfs/dbraw/zinc/94/79/02/364947902.db2.gz CBMZFOXKHHNENA-GXSJLCMTSA-N 1 2 249.314 1.179 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cccs1 ZINC000336014708 541424534 /nfs/dbraw/zinc/42/45/34/541424534.db2.gz DSYDSEUVRXFHOY-UHFFFAOYSA-N 1 2 221.285 1.412 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000573989970 364963256 /nfs/dbraw/zinc/96/32/56/364963256.db2.gz PBQBTJYQRCFPAD-PSASIEDQSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000573989970 364963260 /nfs/dbraw/zinc/96/32/60/364963260.db2.gz PBQBTJYQRCFPAD-PSASIEDQSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000574044500 364975682 /nfs/dbraw/zinc/97/56/82/364975682.db2.gz FJALXRJXLGAUIP-KGYLQXTDSA-N 1 2 247.342 1.824 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000653674771 541442786 /nfs/dbraw/zinc/44/27/86/541442786.db2.gz YWFFXCUADDQMNT-QMMMGPOBSA-N 1 2 226.276 1.344 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000653674771 541442789 /nfs/dbraw/zinc/44/27/89/541442789.db2.gz YWFFXCUADDQMNT-QMMMGPOBSA-N 1 2 226.276 1.344 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000574383826 365048447 /nfs/dbraw/zinc/04/84/47/365048447.db2.gz POAYATIPTCOOGL-UWVGGRQHSA-N 1 2 245.326 1.746 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000574383826 365048451 /nfs/dbraw/zinc/04/84/51/365048451.db2.gz POAYATIPTCOOGL-UWVGGRQHSA-N 1 2 245.326 1.746 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCCC1 ZINC000574288798 365031267 /nfs/dbraw/zinc/03/12/67/365031267.db2.gz UMRYOFJBXXMJKB-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCCC1 ZINC000574288798 365031271 /nfs/dbraw/zinc/03/12/71/365031271.db2.gz UMRYOFJBXXMJKB-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO CC(C)(C(=O)N1CCC1(C)C)[NH+]1CCOCC1 ZINC000574706629 365127909 /nfs/dbraw/zinc/12/79/09/365127909.db2.gz RCZRKDFFYCUYSD-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000574736220 365130570 /nfs/dbraw/zinc/13/05/70/365130570.db2.gz RTOYYZNZVXXBBH-ZJUUUORDSA-N 1 2 239.319 1.850 20 0 BDADLO CC1(C)C[C@H]([NH2+]C2(C(F)F)CC2)CO1 ZINC000575138716 365219671 /nfs/dbraw/zinc/21/96/71/365219671.db2.gz KCQIXIOGCGTXFK-ZETCQYMHSA-N 1 2 205.248 1.941 20 0 BDADLO CC(C)n1cnnc1SCc1cc[nH+]c(N)c1 ZINC000443477011 193022333 /nfs/dbraw/zinc/02/23/33/193022333.db2.gz OWYKIQWIAJSXRQ-UHFFFAOYSA-N 1 2 249.343 1.959 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@@H]2CO)[nH+]1 ZINC000443525519 193022919 /nfs/dbraw/zinc/02/29/19/193022919.db2.gz YUDPEDRXGXEVHN-KWQFWETISA-N 1 2 246.314 1.473 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2(C3CC3)CC2)[nH+]1 ZINC000443710379 193029036 /nfs/dbraw/zinc/02/90/36/193029036.db2.gz PHEFWLFAGAOFNT-UHFFFAOYSA-N 1 2 247.346 1.270 20 0 BDADLO Cc1nc(NCC2(C3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000443710379 193029038 /nfs/dbraw/zinc/02/90/38/193029038.db2.gz PHEFWLFAGAOFNT-UHFFFAOYSA-N 1 2 247.346 1.270 20 0 BDADLO C[C@@H](O)C1CC[NH+](Cc2cscn2)CC1 ZINC000171969000 365264455 /nfs/dbraw/zinc/26/44/55/365264455.db2.gz ZVLMFMQGOZKRGD-SECBINFHSA-N 1 2 226.345 1.736 20 0 BDADLO Nc1ccc(CNC(=O)Nc2ccccc2)c[nH+]1 ZINC000192030560 365270014 /nfs/dbraw/zinc/27/00/14/365270014.db2.gz HMHYTPAUYAQMMU-UHFFFAOYSA-N 1 2 242.282 1.986 20 0 BDADLO CCOCC[C@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000444602498 193051706 /nfs/dbraw/zinc/05/17/06/193051706.db2.gz JVARRYWNVYSMRH-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000444602498 193051708 /nfs/dbraw/zinc/05/17/08/193051708.db2.gz JVARRYWNVYSMRH-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000575176169 365229985 /nfs/dbraw/zinc/22/99/85/365229985.db2.gz SZACYTCSJMRJLD-GFCCVEGCSA-N 1 2 218.300 1.966 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@H]1CCCCO1)C2 ZINC000575176169 365229989 /nfs/dbraw/zinc/22/99/89/365229989.db2.gz SZACYTCSJMRJLD-GFCCVEGCSA-N 1 2 218.300 1.966 20 0 BDADLO COc1ccncc1C[NH2+]Cc1ccn(C)n1 ZINC000379858738 365322503 /nfs/dbraw/zinc/32/25/03/365322503.db2.gz IVFVCOCWOGZFDS-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000337553089 365404820 /nfs/dbraw/zinc/40/48/20/365404820.db2.gz QZCJZXMDBLGYQJ-NTZNESFSSA-N 1 2 247.342 1.750 20 0 BDADLO c1nc(NC2CC2)cc(NCC[C@@H]2CCOC2)[nH+]1 ZINC000575893466 365406313 /nfs/dbraw/zinc/40/63/13/365406313.db2.gz DCPHSMRZDQXQSP-SNVBAGLBSA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC[C@@H]2CCOC2)cc(NC2CC2)[nH+]1 ZINC000575893466 365406318 /nfs/dbraw/zinc/40/63/18/365406318.db2.gz DCPHSMRZDQXQSP-SNVBAGLBSA-N 1 2 248.330 1.889 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]1CC(C)C ZINC000576085771 365478472 /nfs/dbraw/zinc/47/84/72/365478472.db2.gz RUNNCMOOZRTWOQ-ZYHUDNBSSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@H]1CC(C)C ZINC000576085771 365478480 /nfs/dbraw/zinc/47/84/80/365478480.db2.gz RUNNCMOOZRTWOQ-ZYHUDNBSSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H](F)C2)cc[nH+]1 ZINC000576169858 365508801 /nfs/dbraw/zinc/50/88/01/365508801.db2.gz UQPNJWOGBTXUNJ-SNVBAGLBSA-N 1 2 237.278 1.778 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@H](F)C2)cc[nH+]1 ZINC000576169857 365508881 /nfs/dbraw/zinc/50/88/81/365508881.db2.gz UQPNJWOGBTXUNJ-JTQLQIEISA-N 1 2 237.278 1.778 20 0 BDADLO CNC(=O)c1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000180046480 541506337 /nfs/dbraw/zinc/50/63/37/541506337.db2.gz IWDNAQWTFODOPP-UHFFFAOYSA-N 1 2 245.282 1.486 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCc1ccoc1 ZINC000439902418 201465587 /nfs/dbraw/zinc/46/55/87/201465587.db2.gz OJJUXZHJWGNRFY-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCS[C@H](C)C1 ZINC000193333989 367168389 /nfs/dbraw/zinc/16/83/89/367168389.db2.gz KTTWZHBJNWQXOW-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncnc1C[N@H+]1CCS[C@H](C)C1 ZINC000193333989 367168392 /nfs/dbraw/zinc/16/83/92/367168392.db2.gz KTTWZHBJNWQXOW-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO C[C@@H](CC(=O)N[C@@H](C)C(C)(F)F)n1cc[nH+]c1 ZINC000580837614 367183864 /nfs/dbraw/zinc/18/38/64/367183864.db2.gz XFCBNQWWRLHCGB-IUCAKERBSA-N 1 2 245.273 1.994 20 0 BDADLO CCn1nccc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622345564 370859295 /nfs/dbraw/zinc/85/92/95/370859295.db2.gz HTNJQSLCEWVNIG-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO CCn1nccc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000622345564 370859298 /nfs/dbraw/zinc/85/92/98/370859298.db2.gz HTNJQSLCEWVNIG-UHFFFAOYSA-N 1 2 247.302 1.542 20 0 BDADLO COC[C@@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000193893695 367224066 /nfs/dbraw/zinc/22/40/66/367224066.db2.gz VTEINTHSDFRGAR-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO COC[C@@H](C)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000193893695 367224070 /nfs/dbraw/zinc/22/40/70/367224070.db2.gz VTEINTHSDFRGAR-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1O ZINC000622322501 370848874 /nfs/dbraw/zinc/84/88/74/370848874.db2.gz SEERVIZECKJUNW-SECBINFHSA-N 1 2 245.282 1.933 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1O ZINC000622322501 370848878 /nfs/dbraw/zinc/84/88/78/370848878.db2.gz SEERVIZECKJUNW-SECBINFHSA-N 1 2 245.282 1.933 20 0 BDADLO CC1(C[NH2+]c2ccc(-n3cnnn3)cc2)CC1 ZINC000581107294 367263076 /nfs/dbraw/zinc/26/30/76/367263076.db2.gz GYZAYQPLUOVEDB-UHFFFAOYSA-N 1 2 229.287 1.874 20 0 BDADLO Cc1cc(NC(=O)C2CCC(O)CC2)cc[nH+]1 ZINC000194300851 367277085 /nfs/dbraw/zinc/27/70/85/367277085.db2.gz BWCRTJWQSKFRJT-UHFFFAOYSA-N 1 2 234.299 1.880 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000581064141 367249501 /nfs/dbraw/zinc/24/95/01/367249501.db2.gz CFZIVAUVPBFDMT-KOLCDFICSA-N 1 2 234.303 1.207 20 0 BDADLO C[C@@H](c1nncn1C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000581328122 367351548 /nfs/dbraw/zinc/35/15/48/367351548.db2.gz JREAUDFUMGHAMW-BBBLOLIVSA-N 1 2 240.376 1.702 20 0 BDADLO C[C@H](c1nncn1C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000581328124 367351729 /nfs/dbraw/zinc/35/17/29/367351729.db2.gz JREAUDFUMGHAMW-OPRDCNLKSA-N 1 2 240.376 1.702 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000195513827 367365878 /nfs/dbraw/zinc/36/58/78/367365878.db2.gz BYRSGFVXMOOFIA-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000195513827 367365886 /nfs/dbraw/zinc/36/58/86/367365886.db2.gz BYRSGFVXMOOFIA-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000195513828 367366555 /nfs/dbraw/zinc/36/65/55/367366555.db2.gz BYRSGFVXMOOFIA-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000195513828 367366562 /nfs/dbraw/zinc/36/65/62/367366562.db2.gz BYRSGFVXMOOFIA-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H](O)C(C)(C)C1 ZINC000581440058 367472705 /nfs/dbraw/zinc/47/27/05/367472705.db2.gz SRIUZDWKPIWIDP-JTQLQIEISA-N 1 2 221.304 1.301 20 0 BDADLO CCc1nc(C[NH2+][C@H](COC)C(C)C)no1 ZINC000381646422 367442350 /nfs/dbraw/zinc/44/23/50/367442350.db2.gz BSQUIVCIXVXQAR-SECBINFHSA-N 1 2 227.308 1.393 20 0 BDADLO CCn1cc(NC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000581420595 367462054 /nfs/dbraw/zinc/46/20/54/367462054.db2.gz JBFJHUPMEWCJNV-UHFFFAOYSA-N 1 2 236.319 1.183 20 0 BDADLO CCO[C@H](CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000581499060 367526047 /nfs/dbraw/zinc/52/60/47/367526047.db2.gz RSFHFUGVQWUMMZ-RKDXNWHRSA-N 1 2 225.292 1.402 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+]CC(F)(F)CO ZINC000581488980 367518787 /nfs/dbraw/zinc/51/87/87/367518787.db2.gz INBMZUMKRAVDCG-VIFPVBQESA-N 1 2 225.279 1.001 20 0 BDADLO C[C@H]1CSC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000382438379 367523376 /nfs/dbraw/zinc/52/33/76/367523376.db2.gz QTMWZBADBOMJOZ-NTSWFWBYSA-N 1 2 244.751 1.876 20 0 BDADLO C[C@H]1CSC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000382438379 367523382 /nfs/dbraw/zinc/52/33/82/367523382.db2.gz QTMWZBADBOMJOZ-NTSWFWBYSA-N 1 2 244.751 1.876 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CC(F)(F)C1 ZINC000383557038 367639056 /nfs/dbraw/zinc/63/90/56/367639056.db2.gz REIAEWWSRGQZQT-UHFFFAOYSA-N 1 2 215.203 1.071 20 0 BDADLO Cc1cc(NC[C@@H](C)CCCO)nc[nH+]1 ZINC000384373210 367686446 /nfs/dbraw/zinc/68/64/46/367686446.db2.gz IXZOPEFKWZDVNJ-VIFPVBQESA-N 1 2 209.293 1.027 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(C(F)(F)F)CCC1 ZINC000622366460 370870877 /nfs/dbraw/zinc/87/08/77/370870877.db2.gz DSZSELINGHJQET-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H]1CC(C)C ZINC000385097944 367789141 /nfs/dbraw/zinc/78/91/41/367789141.db2.gz ALOUKSZEBMWVDF-RKDXNWHRSA-N 1 2 236.319 1.914 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H]1CC(C)C ZINC000385097944 367789148 /nfs/dbraw/zinc/78/91/48/367789148.db2.gz ALOUKSZEBMWVDF-RKDXNWHRSA-N 1 2 236.319 1.914 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](CO)[C@H]2CC)no1 ZINC000385863620 367870444 /nfs/dbraw/zinc/87/04/44/367870444.db2.gz HUXPEKXAINOQDB-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)no1 ZINC000385863620 367870450 /nfs/dbraw/zinc/87/04/50/367870450.db2.gz HUXPEKXAINOQDB-NXEZZACHSA-N 1 2 239.319 1.225 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000015294249 367937709 /nfs/dbraw/zinc/93/77/09/367937709.db2.gz ATSLJRONBGOWDB-UHFFFAOYSA-N 1 2 232.736 1.579 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000015294249 367937714 /nfs/dbraw/zinc/93/77/14/367937714.db2.gz ATSLJRONBGOWDB-UHFFFAOYSA-N 1 2 232.736 1.579 20 0 BDADLO CC(=O)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615577445 368110970 /nfs/dbraw/zinc/11/09/70/368110970.db2.gz SYQUQHBUDMUUPD-LBPRGKRZSA-N 1 2 249.314 1.312 20 0 BDADLO CC(=O)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615577445 368110971 /nfs/dbraw/zinc/11/09/71/368110971.db2.gz SYQUQHBUDMUUPD-LBPRGKRZSA-N 1 2 249.314 1.312 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000029594268 368243372 /nfs/dbraw/zinc/24/33/72/368243372.db2.gz GFUMQQQZZXYXJH-GFCCVEGCSA-N 1 2 243.310 1.803 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000615704807 368214241 /nfs/dbraw/zinc/21/42/41/368214241.db2.gz MNGADKLPXZQELI-WCBMZHEXSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000615704807 368214246 /nfs/dbraw/zinc/21/42/46/368214246.db2.gz MNGADKLPXZQELI-WCBMZHEXSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccco1 ZINC000042510946 368310180 /nfs/dbraw/zinc/31/01/80/368310180.db2.gz IWDRXLYQYUXGGP-LLVKDONJSA-N 1 2 247.298 1.614 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000045752122 368430592 /nfs/dbraw/zinc/43/05/92/368430592.db2.gz NSEKDSNHMVLRRE-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000045752122 368430599 /nfs/dbraw/zinc/43/05/99/368430599.db2.gz NSEKDSNHMVLRRE-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO Cc1ccc(NC(=O)Cn2cc[nH+]c2)nc1 ZINC000566652892 326071292 /nfs/dbraw/zinc/07/12/92/326071292.db2.gz VXGXJODPFOLZHJ-UHFFFAOYSA-N 1 2 216.244 1.225 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2cnn(C)c2)s1 ZINC000064138527 368602192 /nfs/dbraw/zinc/60/21/92/368602192.db2.gz RDUSKOUMJOBBBY-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2cnn(C)c2)s1 ZINC000064138527 368602197 /nfs/dbraw/zinc/60/21/97/368602197.db2.gz RDUSKOUMJOBBBY-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CCC1 ZINC000567121538 326120216 /nfs/dbraw/zinc/12/02/16/326120216.db2.gz JDJBQVVOYSPXJQ-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CCC1 ZINC000567121538 326120218 /nfs/dbraw/zinc/12/02/18/326120218.db2.gz JDJBQVVOYSPXJQ-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CC(C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457404797 203056562 /nfs/dbraw/zinc/05/65/62/203056562.db2.gz QILUKWXSQPRFRG-UHFFFAOYSA-N 1 2 238.335 1.308 20 0 BDADLO Cn1c[nH+]c2c1CCN(Cc1ccccn1)C2 ZINC000069464426 370935563 /nfs/dbraw/zinc/93/55/63/370935563.db2.gz BBCLVZJWPKPINB-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000074353060 368840146 /nfs/dbraw/zinc/84/01/46/368840146.db2.gz LPTJIBZFTNCFOS-ZJUUUORDSA-N 1 2 207.277 1.188 20 0 BDADLO Cc1cccc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000072628058 368777267 /nfs/dbraw/zinc/77/72/67/368777267.db2.gz KSPFIVNNDBMHAX-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO CC(C)[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000457421130 203059061 /nfs/dbraw/zinc/05/90/61/203059061.db2.gz KMHQGUFFJYYJII-SNVBAGLBSA-N 1 2 238.335 1.306 20 0 BDADLO CC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072800393 368781238 /nfs/dbraw/zinc/78/12/38/368781238.db2.gz AARWOSBWUVSJKL-VIFPVBQESA-N 1 2 210.302 1.241 20 0 BDADLO CC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072800393 368781240 /nfs/dbraw/zinc/78/12/40/368781240.db2.gz AARWOSBWUVSJKL-VIFPVBQESA-N 1 2 210.302 1.241 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2ccccn2)cn1 ZINC000072982296 368788911 /nfs/dbraw/zinc/78/89/11/368788911.db2.gz OEWHFHTYJKKCKH-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2ccccn2)cn1 ZINC000072982296 368788915 /nfs/dbraw/zinc/78/89/15/368788915.db2.gz OEWHFHTYJKKCKH-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCCC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000073201128 368798061 /nfs/dbraw/zinc/79/80/61/368798061.db2.gz NCSHXWHRAKDYBN-UHFFFAOYSA-N 1 2 209.293 1.578 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCCF)c2[nH+]ccn21 ZINC000615962703 368798373 /nfs/dbraw/zinc/79/83/73/368798373.db2.gz GPZXRVWKQFHHGU-BDAKNGLRSA-N 1 2 225.267 1.755 20 0 BDADLO Cc1cc(C[NH+]2CCOCC2)ccc1O ZINC000113566323 368895614 /nfs/dbraw/zinc/89/56/14/368895614.db2.gz JYOHRRFJXDIFMZ-UHFFFAOYSA-N 1 2 207.273 1.533 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)[C@H](C)CO1 ZINC000154837383 326166909 /nfs/dbraw/zinc/16/69/09/326166909.db2.gz YJMHZLKRHMTJHP-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO CCCc1cc(NC(=O)Cn2cc[nH+]c2)n(C)n1 ZINC000089395485 368943360 /nfs/dbraw/zinc/94/33/60/368943360.db2.gz IQZGALUOUXIUJI-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@H](C)CO1 ZINC000154837383 326166914 /nfs/dbraw/zinc/16/69/14/326166914.db2.gz YJMHZLKRHMTJHP-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C(C)(C)C ZINC000616111048 368957841 /nfs/dbraw/zinc/95/78/41/368957841.db2.gz AILJKOOZUOTNBE-MXWKQRLJSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)Cc1c[nH+]cn1C ZINC000616165650 369000422 /nfs/dbraw/zinc/00/04/22/369000422.db2.gz SHHZHGPZYCELHD-JTQLQIEISA-N 1 2 235.331 1.752 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000618419512 369141908 /nfs/dbraw/zinc/14/19/08/369141908.db2.gz GCCPXWNSCCFFOM-QWRGUYRKSA-N 1 2 221.304 1.436 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC2CC(C)(C)C2)c1 ZINC000457869733 203115257 /nfs/dbraw/zinc/11/52/57/203115257.db2.gz LTCXOCDJSMWONI-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000618618338 369186791 /nfs/dbraw/zinc/18/67/91/369186791.db2.gz IGRVEUOYAGPCIO-NXEZZACHSA-N 1 2 239.271 1.333 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC=CC2)[nH+]1 ZINC000567507947 326207326 /nfs/dbraw/zinc/20/73/26/326207326.db2.gz WLSHTDGNSYOSHO-UHFFFAOYSA-N 1 2 200.245 1.643 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458737761 203192931 /nfs/dbraw/zinc/19/29/31/203192931.db2.gz PUFZPMINBJJQNP-MWLCHTKSSA-N 1 2 236.319 1.060 20 0 BDADLO Cc1cccn2c(NC(=O)C3CC3)c[nH+]c12 ZINC000619010338 369256902 /nfs/dbraw/zinc/25/69/02/369256902.db2.gz BXYMDTJYNIUEFK-UHFFFAOYSA-N 1 2 215.256 1.991 20 0 BDADLO CC/C=C/CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000459015306 203222103 /nfs/dbraw/zinc/22/21/03/203222103.db2.gz OWWKCHSKBIIEQG-SNAWJCMRSA-N 1 2 236.319 1.228 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459319770 203254799 /nfs/dbraw/zinc/25/47/99/203254799.db2.gz DWZIKHXKYGWIGG-SNVBAGLBSA-N 1 2 233.315 1.575 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459319770 203254802 /nfs/dbraw/zinc/25/48/02/203254802.db2.gz DWZIKHXKYGWIGG-SNVBAGLBSA-N 1 2 233.315 1.575 20 0 BDADLO CCn1nncc1C[N@@H+]1CCOC[C@]1(C)CC ZINC000459383856 203269972 /nfs/dbraw/zinc/26/99/72/203269972.db2.gz GBQAXGYNQDWKMO-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1nncc1C[N@H+]1CCOC[C@]1(C)CC ZINC000459383856 203269975 /nfs/dbraw/zinc/26/99/75/203269975.db2.gz GBQAXGYNQDWKMO-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cc(CNCC[NH+]2CCSCC2)no1 ZINC000459470552 203288015 /nfs/dbraw/zinc/28/80/15/203288015.db2.gz UTAFYPJTXMLUEZ-UHFFFAOYSA-N 1 2 241.360 1.121 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619339990 369314531 /nfs/dbraw/zinc/31/45/31/369314531.db2.gz VOOGWUOTHOYPHF-IJLUTSLNSA-N 1 2 245.326 1.314 20 0 BDADLO CCOc1cc(C[NH+]2CC(OC)C2)ccc1O ZINC000459584772 203307476 /nfs/dbraw/zinc/30/74/76/203307476.db2.gz RIPASLVGTVXNEA-UHFFFAOYSA-N 1 2 237.299 1.622 20 0 BDADLO COC1C[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000459584006 203307730 /nfs/dbraw/zinc/30/77/30/203307730.db2.gz QOZSUMQQVFAQQA-UHFFFAOYSA-N 1 2 233.271 1.500 20 0 BDADLO Cn1nnc2cc(C[NH2+]CC(F)F)ccc21 ZINC000459547853 203299462 /nfs/dbraw/zinc/29/94/62/203299462.db2.gz OUCYSEORQBZLHA-UHFFFAOYSA-N 1 2 226.230 1.323 20 0 BDADLO CCC(F)(F)C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000623679218 369378764 /nfs/dbraw/zinc/37/87/64/369378764.db2.gz MQEHFLLTFHKLSQ-SNVBAGLBSA-N 1 2 236.306 1.342 20 0 BDADLO CCOC1(C)C[NH+](Cc2cnn3ccccc23)C1 ZINC000459622287 203318737 /nfs/dbraw/zinc/31/87/37/203318737.db2.gz OKKJHSOPZFFBQU-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CCOC1(C)C[NH+](Cc2conc2C)C1 ZINC000459618432 203320076 /nfs/dbraw/zinc/32/00/76/203320076.db2.gz ISMBMFCIVSVCPZ-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COc1ccc(F)c(C[NH+]2CC(C)(CO)C2)c1 ZINC000459624545 203321958 /nfs/dbraw/zinc/32/19/58/203321958.db2.gz VWYRYJNRMNZSLT-UHFFFAOYSA-N 1 2 239.290 1.649 20 0 BDADLO CCOC1(C)C[NH+](Cc2cnn(CC)c2)C1 ZINC000459624743 203321992 /nfs/dbraw/zinc/32/19/92/203321992.db2.gz RRDPVRRMLIXGMG-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000622485156 370952905 /nfs/dbraw/zinc/95/29/05/370952905.db2.gz FXKUYSSMWFPJKX-LLVKDONJSA-N 1 2 221.304 1.220 20 0 BDADLO CC(C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000082277243 370977495 /nfs/dbraw/zinc/97/74/95/370977495.db2.gz PUZLNTMETUXYFI-SECBINFHSA-N 1 2 209.293 1.643 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NC[C@H](C)O)[nH+]1 ZINC000631034670 370983530 /nfs/dbraw/zinc/98/35/30/370983530.db2.gz ZJQKNHGKEPZNLD-QMMMGPOBSA-N 1 2 234.303 1.296 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]1C ZINC000619665157 369516688 /nfs/dbraw/zinc/51/66/88/369516688.db2.gz JSEHDYYHSPPXDR-UWVGGRQHSA-N 1 2 222.292 1.075 20 0 BDADLO C[C@H](NC(=O)c1ccco1)c1[nH+]ccn1C ZINC000082277729 370979226 /nfs/dbraw/zinc/97/92/26/370979226.db2.gz MBQBFDPUWKORIK-QMMMGPOBSA-N 1 2 219.244 1.504 20 0 BDADLO CC(C)n1cc(C[NH2+]C2(CF)CCC2)nn1 ZINC000567853112 326271322 /nfs/dbraw/zinc/27/13/22/326271322.db2.gz OUJNTKXBZWANHD-UHFFFAOYSA-N 1 2 226.299 1.841 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCC1=CCCC1 ZINC000620008913 369666824 /nfs/dbraw/zinc/66/68/24/369666824.db2.gz WQJDKVFPZAWHSJ-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO CC(C)(C(=O)NCC1=CCCC1)c1c[nH]c[nH+]1 ZINC000620008842 369666964 /nfs/dbraw/zinc/66/69/64/369666964.db2.gz UWGBMGIRCRHMQR-UHFFFAOYSA-N 1 2 233.315 1.914 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000620078570 369714058 /nfs/dbraw/zinc/71/40/58/369714058.db2.gz MRSYIYSHIOSFMW-QMTHXVAHSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000620078566 369714350 /nfs/dbraw/zinc/71/43/50/369714350.db2.gz MRSYIYSHIOSFMW-HZMBPMFUSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C(C)C)C1CC1 ZINC000620044990 369688883 /nfs/dbraw/zinc/68/88/83/369688883.db2.gz RUFZFFXBKLMIFT-CYBMUJFWSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C(C)C)C1CC1 ZINC000620044990 369688886 /nfs/dbraw/zinc/68/88/86/369688886.db2.gz RUFZFFXBKLMIFT-CYBMUJFWSA-N 1 2 235.331 1.811 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000620074124 369707481 /nfs/dbraw/zinc/70/74/81/369707481.db2.gz BJUYVNLVBSJICK-HZMBPMFUSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCCCC1 ZINC000620411796 369867620 /nfs/dbraw/zinc/86/76/20/369867620.db2.gz IEFAYIHOVVLOKH-UHFFFAOYSA-N 1 2 221.304 1.676 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCc1ccco1 ZINC000620499694 369897339 /nfs/dbraw/zinc/89/73/39/369897339.db2.gz REYSBTQXENYOGZ-UHFFFAOYSA-N 1 2 247.298 1.615 20 0 BDADLO CCCCOCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620600525 369950540 /nfs/dbraw/zinc/95/05/40/369950540.db2.gz OYKLKHGLLJQOAT-JTQLQIEISA-N 1 2 239.319 1.414 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620601443 369950545 /nfs/dbraw/zinc/95/05/45/369950545.db2.gz XGQVLRFOJKFFES-VHSXEESVSA-N 1 2 223.320 1.889 20 0 BDADLO Cc1cccnc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604822 369952815 /nfs/dbraw/zinc/95/28/15/369952815.db2.gz XHPINPFMPHWUIQ-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO Cc1ccc(CC(=O)N[C@@H](C)c2[nH+]ccn2C)o1 ZINC000620604771 369952929 /nfs/dbraw/zinc/95/29/29/369952929.db2.gz WPSMSTMAFSTIBX-JTQLQIEISA-N 1 2 247.298 1.741 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1[nH+]ccn1C ZINC000620606116 369954533 /nfs/dbraw/zinc/95/45/33/369954533.db2.gz OEYALYQYAXYHAY-IWSPIJDZSA-N 1 2 207.277 1.253 20 0 BDADLO CC[C@@](C)(OC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605546 369954576 /nfs/dbraw/zinc/95/45/76/369954576.db2.gz GMMKEQRPJFDVIN-BXKDBHETSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1[nH+]ccn1C ZINC000620608134 369955311 /nfs/dbraw/zinc/95/53/11/369955311.db2.gz MRDGCYPCSHXFLP-UKKRHICBSA-N 1 2 233.315 1.643 20 0 BDADLO CCC[C@H](OC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620608108 369957016 /nfs/dbraw/zinc/95/70/16/369957016.db2.gz MJOJTLPKWMWAOM-ZJUUUORDSA-N 1 2 239.319 1.412 20 0 BDADLO CCOCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620647630 369972541 /nfs/dbraw/zinc/97/25/41/369972541.db2.gz GFVQLYHACWBECH-UHFFFAOYSA-N 1 2 233.271 1.618 20 0 BDADLO Cc1cn2ccc(NC(=O)[C@H]3CCOC3)cc2[nH+]1 ZINC000620649153 369972905 /nfs/dbraw/zinc/97/29/05/369972905.db2.gz VJHCYDVHAODDKQ-JTQLQIEISA-N 1 2 245.282 1.618 20 0 BDADLO C[C@H](NC(=O)C[C@H]1C=CCC1)c1[nH+]ccn1C ZINC000620591481 369944287 /nfs/dbraw/zinc/94/42/87/369944287.db2.gz CSKOWCILMUSVEG-QWRGUYRKSA-N 1 2 233.315 1.954 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)o1 ZINC000620593059 369946155 /nfs/dbraw/zinc/94/61/55/369946155.db2.gz VUKVAZRIQHBEBR-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO CC(C)OCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594557 369946692 /nfs/dbraw/zinc/94/66/92/369946692.db2.gz FRHVRMIFGMUZGI-VIFPVBQESA-N 1 2 225.292 1.022 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1CCCO1)c1[nH+]ccn1C ZINC000620597533 369947358 /nfs/dbraw/zinc/94/73/58/369947358.db2.gz WXOLAZORXHYTHE-NXEZZACHSA-N 1 2 237.303 1.166 20 0 BDADLO COCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597707 369947934 /nfs/dbraw/zinc/94/79/34/369947934.db2.gz ZAERVJFMPUUEKP-VIFPVBQESA-N 1 2 225.292 1.024 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)Cn1cc[nH+]c1 ZINC000621044401 370078573 /nfs/dbraw/zinc/07/85/73/370078573.db2.gz JGWWXQQTPCMCIU-JTQLQIEISA-N 1 2 221.304 1.388 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000621212342 370154610 /nfs/dbraw/zinc/15/46/10/370154610.db2.gz KHDYLQWKFUFNRW-CVZZAPKMSA-N 1 2 245.326 1.456 20 0 BDADLO CC[C@@H](C[C@H](C)CO)Nc1cc(C)[nH+]cn1 ZINC000309685577 370243272 /nfs/dbraw/zinc/24/32/72/370243272.db2.gz HGWLAKRLQPNSCK-ONGXEEELSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccnc(C)c1)CC2 ZINC000621276985 370207596 /nfs/dbraw/zinc/20/75/96/370207596.db2.gz ZMRFNSHDXGLNSC-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccnc(C)c1)CC2 ZINC000621276985 370207598 /nfs/dbraw/zinc/20/75/98/370207598.db2.gz ZMRFNSHDXGLNSC-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000309827271 370264506 /nfs/dbraw/zinc/26/45/06/370264506.db2.gz XPFMBFIZOLIEGV-APPZFPTMSA-N 1 2 239.344 1.788 20 0 BDADLO COC[C@@H]([NH2+]Cc1nccnc1C)c1ccco1 ZINC000621339122 370272319 /nfs/dbraw/zinc/27/23/19/370272319.db2.gz WKDIPZDUAGNNSA-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1CC(C)C1 ZINC000621448424 370356803 /nfs/dbraw/zinc/35/68/03/370356803.db2.gz IEUJAAXWZBCAER-UHFFFAOYSA-N 1 2 233.315 1.980 20 0 BDADLO CC1CC(CNC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000621572001 370392143 /nfs/dbraw/zinc/39/21/43/370392143.db2.gz WQWULIBXUKIFNM-UHFFFAOYSA-N 1 2 248.330 1.454 20 0 BDADLO Cc1nnc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)[nH]1 ZINC000621380675 370324465 /nfs/dbraw/zinc/32/44/65/370324465.db2.gz BJKDVLUEZWQTJT-SNVBAGLBSA-N 1 2 238.335 1.096 20 0 BDADLO Cc1nnc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)[nH]1 ZINC000621380675 370324468 /nfs/dbraw/zinc/32/44/68/370324468.db2.gz BJKDVLUEZWQTJT-SNVBAGLBSA-N 1 2 238.335 1.096 20 0 BDADLO CN(C)C(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621400235 370338975 /nfs/dbraw/zinc/33/89/75/370338975.db2.gz BCXHJSLBNPTCEW-NSHDSACASA-N 1 2 248.317 1.878 20 0 BDADLO CCc1nc(C[NH2+]C2CN(C(C)=O)C2)cs1 ZINC000568239692 326332972 /nfs/dbraw/zinc/33/29/72/326332972.db2.gz QNNHNWRNVAKZAL-UHFFFAOYSA-N 1 2 239.344 1.026 20 0 BDADLO Cc1nccc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000077323934 370410731 /nfs/dbraw/zinc/41/07/31/370410731.db2.gz DWRSQXMWINIBKN-UHFFFAOYSA-N 1 2 228.255 1.741 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000621717150 370466275 /nfs/dbraw/zinc/46/62/75/370466275.db2.gz XOMGTCJQZNBQMR-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000621717150 370466279 /nfs/dbraw/zinc/46/62/79/370466279.db2.gz XOMGTCJQZNBQMR-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000621732383 370487719 /nfs/dbraw/zinc/48/77/19/370487719.db2.gz YWKVHKDMOVGJEB-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000621732383 370487723 /nfs/dbraw/zinc/48/77/23/370487723.db2.gz YWKVHKDMOVGJEB-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CCc1nncn1CCNc1cc(CC)[nH+]cn1 ZINC000078560791 370574462 /nfs/dbraw/zinc/57/44/62/370574462.db2.gz DONRGVKJQGJQHY-UHFFFAOYSA-N 1 2 246.318 1.305 20 0 BDADLO CCc1cc(N[C@@H](C)CCOC)nc[nH+]1 ZINC000078598051 370580159 /nfs/dbraw/zinc/58/01/59/370580159.db2.gz BCHDFDLOZILMAQ-VIFPVBQESA-N 1 2 209.293 1.876 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000078679738 370589037 /nfs/dbraw/zinc/58/90/37/370589037.db2.gz HKXUWYUBKPTGOW-ZETCQYMHSA-N 1 2 220.276 1.865 20 0 BDADLO CCC(CC)(CO)C(=O)Nc1cc[nH+]cc1C ZINC000569116042 326391189 /nfs/dbraw/zinc/39/11/89/326391189.db2.gz FEWNZCHSLCTRRD-UHFFFAOYSA-N 1 2 236.315 1.549 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@H]1CCCCO1 ZINC000623961601 371199155 /nfs/dbraw/zinc/19/91/55/371199155.db2.gz IZWAFUCQNOBPMJ-RKDXNWHRSA-N 1 2 223.263 1.161 20 0 BDADLO COc1cncc(C[NH2+]Cc2cocn2)c1C ZINC000631069251 371292490 /nfs/dbraw/zinc/29/24/90/371292490.db2.gz QWRHQQQTQVCRLJ-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COc1ccc[nH+]c1N1CCC2(CCO2)CC1 ZINC000624187234 371377270 /nfs/dbraw/zinc/37/72/70/371377270.db2.gz RIXHNACGXRFLNF-UHFFFAOYSA-N 1 2 234.299 1.850 20 0 BDADLO O=C(c1ncccc1F)N1CCc2[nH]c[nH+]c2C1 ZINC000627373908 371592931 /nfs/dbraw/zinc/59/29/31/371592931.db2.gz FNGQRLUTJCUZNX-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO O=C(c1ncccc1F)N1CCc2[nH+]c[nH]c2C1 ZINC000627373908 371592935 /nfs/dbraw/zinc/59/29/35/371592935.db2.gz FNGQRLUTJCUZNX-UHFFFAOYSA-N 1 2 246.245 1.142 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C23CC(C2)C3)c2[nH+]ccn21 ZINC000627658459 371817522 /nfs/dbraw/zinc/81/75/22/371817522.db2.gz CACXJGIWKGDGBI-PSHCNPEKSA-N 1 2 231.299 1.805 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000227517536 371880280 /nfs/dbraw/zinc/88/02/80/371880280.db2.gz OPXPEBQMMDILLT-AXFHLTTASA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000058003171 371945873 /nfs/dbraw/zinc/94/58/73/371945873.db2.gz JOMOYTZVLMNROQ-JTQLQIEISA-N 1 2 235.283 1.443 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000058003171 371945879 /nfs/dbraw/zinc/94/58/79/371945879.db2.gz JOMOYTZVLMNROQ-JTQLQIEISA-N 1 2 235.283 1.443 20 0 BDADLO Cc1conc1C(=O)NCCCCn1cc[nH+]c1 ZINC000631275574 372094996 /nfs/dbraw/zinc/09/49/96/372094996.db2.gz GHTQRTWEPXHUAT-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)C(F)F ZINC000631148262 372210322 /nfs/dbraw/zinc/21/03/22/372210322.db2.gz TTYOTARUUUGZFF-MRVPVSSYSA-N 1 2 216.231 1.921 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2CC(C)C)nc(N)[nH+]1 ZINC000631163483 372213672 /nfs/dbraw/zinc/21/36/72/372213672.db2.gz PWGCCXWRYZUCHL-LLVKDONJSA-N 1 2 249.362 1.998 20 0 BDADLO Cc1nc(N)nc(N2CCCC[C@@H]2CC(C)C)[nH+]1 ZINC000631163483 372213676 /nfs/dbraw/zinc/21/36/76/372213676.db2.gz PWGCCXWRYZUCHL-LLVKDONJSA-N 1 2 249.362 1.998 20 0 BDADLO CC(=O)Nc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000631179486 372219416 /nfs/dbraw/zinc/21/94/16/372219416.db2.gz DXEKNFHMUQKSHS-UHFFFAOYSA-N 1 2 245.286 1.053 20 0 BDADLO CN(C)c1c[nH+]cc(N[C@@H]2CCOC2)c1 ZINC000631204264 372235711 /nfs/dbraw/zinc/23/57/11/372235711.db2.gz YFLFAWDLWGISAE-SECBINFHSA-N 1 2 207.277 1.348 20 0 BDADLO CCCCc1cc(NC[C@@H](C)OC)nc[nH+]1 ZINC000631241215 372255257 /nfs/dbraw/zinc/25/52/57/372255257.db2.gz PFTBJNVDYOXNQD-SNVBAGLBSA-N 1 2 223.320 1.688 20 0 BDADLO CCc1cc(N[C@H](C)c2n[nH]c(=O)n2C)nc[nH+]1 ZINC000631336452 372301877 /nfs/dbraw/zinc/30/18/77/372301877.db2.gz TXUFMVDMRPFDRI-SSDOTTSWSA-N 1 2 248.290 1.046 20 0 BDADLO Cc1cc(NC[C@@H]2C[C@H]2c2cccnc2)nc[nH+]1 ZINC000631354884 372310370 /nfs/dbraw/zinc/31/03/70/372310370.db2.gz KMMVHJVXTMXCLW-STQMWFEESA-N 1 2 240.310 1.818 20 0 BDADLO Cc1nccc(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000631368408 372317330 /nfs/dbraw/zinc/31/73/30/372317330.db2.gz ICPKNJQFQCRIQI-UHFFFAOYSA-N 1 2 231.303 1.251 20 0 BDADLO CCc1cc(NCc2cc(OC)no2)nc[nH+]1 ZINC000631370107 372319258 /nfs/dbraw/zinc/31/92/58/372319258.db2.gz YWQWBEREXDHLIB-UHFFFAOYSA-N 1 2 234.259 1.070 20 0 BDADLO Cc1noc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000631431657 372360476 /nfs/dbraw/zinc/36/04/76/372360476.db2.gz WEIRQKORJXCSEE-POYBYMJQSA-N 1 2 247.258 1.010 20 0 BDADLO CCCCc1cc(NCCOCCF)nc[nH+]1 ZINC000631382534 372326423 /nfs/dbraw/zinc/32/64/23/372326423.db2.gz BCVKUAQCLXSONX-UHFFFAOYSA-N 1 2 241.310 1.639 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CC2(C)C)nc(N)[nH+]1 ZINC000631386368 372328945 /nfs/dbraw/zinc/32/89/45/372328945.db2.gz WJYRVBPJFGWKBM-QMMMGPOBSA-N 1 2 221.308 1.075 20 0 BDADLO Cc1nc(N)nc(N(C)C[C@@H]2CC2(C)C)[nH+]1 ZINC000631386368 372328952 /nfs/dbraw/zinc/32/89/52/372328952.db2.gz WJYRVBPJFGWKBM-QMMMGPOBSA-N 1 2 221.308 1.075 20 0 BDADLO CC(C)(C)c1nc[nH]c1C(=O)NCc1c[nH+]c[nH]1 ZINC000631413501 372346238 /nfs/dbraw/zinc/34/62/38/372346238.db2.gz HBHRTVQIJJBODL-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO CC(C)(C)c1nc[nH]c1C(=O)NCc1c[nH]c[nH+]1 ZINC000631413501 372346243 /nfs/dbraw/zinc/34/62/43/372346243.db2.gz HBHRTVQIJJBODL-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO OC[C@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000631425435 372354889 /nfs/dbraw/zinc/35/48/89/372354889.db2.gz GYRKSRGNLNKNEF-KLPPZKSPSA-N 1 2 228.295 1.840 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2C[C@@H](CO)C2)cc[nH+]1 ZINC000631426493 372356296 /nfs/dbraw/zinc/35/62/96/372356296.db2.gz BBMKEVADSJYOSW-AOOOYVTPSA-N 1 2 235.331 1.379 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@]23C[C@H]2CCCC3)[nH+]1 ZINC000631476199 372385038 /nfs/dbraw/zinc/38/50/38/372385038.db2.gz PSZSZBPRHBCNRB-ZWNOBZJWSA-N 1 2 247.346 1.991 20 0 BDADLO Cc1nc(N[C@]23C[C@H]2CCCC3)nc(N(C)C)[nH+]1 ZINC000631476199 372385048 /nfs/dbraw/zinc/38/50/48/372385048.db2.gz PSZSZBPRHBCNRB-ZWNOBZJWSA-N 1 2 247.346 1.991 20 0 BDADLO Cc1conc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000632097328 372757538 /nfs/dbraw/zinc/75/75/38/372757538.db2.gz QDWSINWOZYYYOP-UHFFFAOYSA-N 1 2 245.242 1.357 20 0 BDADLO c1cnn(CCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000171859123 372798770 /nfs/dbraw/zinc/79/87/70/372798770.db2.gz JSMSVOXWNPHKNS-UHFFFAOYSA-N 1 2 229.287 1.663 20 0 BDADLO CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000632391338 372913646 /nfs/dbraw/zinc/91/36/46/372913646.db2.gz XIJFFDDSTKLRKC-MRVPVSSYSA-N 1 2 222.292 1.142 20 0 BDADLO O=C(C[C@H]1C=CCCC1)N1CCn2c[nH+]cc2C1 ZINC000290979810 182026350 /nfs/dbraw/zinc/02/63/50/182026350.db2.gz VHTNAVVWKTYLCW-LBPRGKRZSA-N 1 2 245.326 1.972 20 0 BDADLO O=C(C[C@H]1C=CCCC1)NCc1[nH]cc[nH+]1 ZINC000275275516 182026535 /nfs/dbraw/zinc/02/65/35/182026535.db2.gz JQFJYEHFGNMZEH-JTQLQIEISA-N 1 2 219.288 1.772 20 0 BDADLO CC[C@H](NC(=O)CC1CSC1)c1[nH]cc[nH+]1 ZINC000632509835 372978457 /nfs/dbraw/zinc/97/84/57/372978457.db2.gz PJKQXNSGAMRMBQ-VIFPVBQESA-N 1 2 239.344 1.730 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](C2CC2)C1 ZINC000291510719 182071686 /nfs/dbraw/zinc/07/16/86/182071686.db2.gz QQBGNLRDCOHMBB-LBPRGKRZSA-N 1 2 233.315 1.532 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000285785074 182071812 /nfs/dbraw/zinc/07/18/12/182071812.db2.gz LOPPZBDMMXBUHG-NWDGAFQWSA-N 1 2 249.314 1.053 20 0 BDADLO Cc1occc1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632917359 373218570 /nfs/dbraw/zinc/21/85/70/373218570.db2.gz FAETYGXABDXKFJ-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO CCC(CC)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632839446 373182758 /nfs/dbraw/zinc/18/27/58/373182758.db2.gz VFULANJPWMXLLJ-UHFFFAOYSA-N 1 2 224.308 1.740 20 0 BDADLO C[C@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000633081886 373289279 /nfs/dbraw/zinc/28/92/79/373289279.db2.gz JNFULVQODQWCFI-SECBINFHSA-N 1 2 236.319 1.597 20 0 BDADLO O=C(NC1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336541992 182104022 /nfs/dbraw/zinc/10/40/22/182104022.db2.gz XSCNOEGKKVEVFT-UHFFFAOYSA-N 1 2 248.330 1.851 20 0 BDADLO O=C(NC1CCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336541992 182104024 /nfs/dbraw/zinc/10/40/24/182104024.db2.gz XSCNOEGKKVEVFT-UHFFFAOYSA-N 1 2 248.330 1.851 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1(C2CC2)CC1 ZINC000633137062 373302404 /nfs/dbraw/zinc/30/24/04/373302404.db2.gz ZGBUJJKAFTZNKG-UHFFFAOYSA-N 1 2 248.330 1.741 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C)c1[nH]cc[nH+]1 ZINC000633169890 373319746 /nfs/dbraw/zinc/31/97/46/373319746.db2.gz GAKFQAKJJFGJRE-ZYUZMQFOSA-N 1 2 237.303 1.400 20 0 BDADLO CCC(C)(C)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633187958 373332220 /nfs/dbraw/zinc/33/22/20/373332220.db2.gz KECITTHEVCDPBY-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO O=C(NCC(F)(F)F)[C@@H]1CCc2[nH+]ccn2C1 ZINC000362981015 182123597 /nfs/dbraw/zinc/12/35/97/182123597.db2.gz XQDMLKGUQKONOK-SSDOTTSWSA-N 1 2 247.220 1.124 20 0 BDADLO Cc1nocc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000633280021 373443587 /nfs/dbraw/zinc/44/35/87/373443587.db2.gz CUYSHTCPFKSWGZ-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1nocc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000633280021 373443588 /nfs/dbraw/zinc/44/35/88/373443588.db2.gz CUYSHTCPFKSWGZ-MRVPVSSYSA-N 1 2 248.286 1.201 20 0 BDADLO CC[C@@H](O)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000633286197 373450388 /nfs/dbraw/zinc/45/03/88/373450388.db2.gz DNVUKLRPQHAOQM-VHSXEESVSA-N 1 2 239.319 1.241 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000633333561 373479474 /nfs/dbraw/zinc/47/94/74/373479474.db2.gz JMDHDEJUDYDVCD-GMTAPVOTSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000633333560 373479775 /nfs/dbraw/zinc/47/97/75/373479775.db2.gz JMDHDEJUDYDVCD-GARJFASQSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCCC12CC2 ZINC000633416274 373539010 /nfs/dbraw/zinc/53/90/10/373539010.db2.gz XJYXPQKNHRQEAH-SNVBAGLBSA-N 1 2 248.330 1.884 20 0 BDADLO CCOC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000633601999 373620612 /nfs/dbraw/zinc/62/06/12/373620612.db2.gz MSXCLRRSCGFMDX-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000633601999 373620620 /nfs/dbraw/zinc/62/06/20/373620620.db2.gz MSXCLRRSCGFMDX-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCC12CC2 ZINC000633779219 373752024 /nfs/dbraw/zinc/75/20/24/373752024.db2.gz ZMHRVYXSFIGQQN-JTQLQIEISA-N 1 2 219.288 1.332 20 0 BDADLO O=C(NCCF)Nc1ccn2cc[nH+]c2c1 ZINC000334756766 182180719 /nfs/dbraw/zinc/18/07/19/182180719.db2.gz MYTRLVRIFKNXQS-UHFFFAOYSA-N 1 2 222.223 1.425 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)Nc1ccccn1 ZINC000042899020 182176648 /nfs/dbraw/zinc/17/66/48/182176648.db2.gz GBOOXPPCJDIZMI-UHFFFAOYSA-N 1 2 245.286 1.490 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CC1 ZINC000362320920 182177222 /nfs/dbraw/zinc/17/72/22/182177222.db2.gz RGUOJOFWWACMEZ-NWDGAFQWSA-N 1 2 248.330 1.371 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)NCCC1CC1 ZINC000340997075 182188808 /nfs/dbraw/zinc/18/88/08/182188808.db2.gz VEBNPLJIVPHLJM-UHFFFAOYSA-N 1 2 248.330 1.593 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]23C[C@@H]2CCCC3)c[nH+]1 ZINC000634084811 373950046 /nfs/dbraw/zinc/95/00/46/373950046.db2.gz GVDOWDOMDAFMQY-CABZTGNLSA-N 1 2 219.288 1.781 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@]12C[C@H]1CCCC2 ZINC000634094617 373962731 /nfs/dbraw/zinc/96/27/31/373962731.db2.gz NUWAYXQFJORLQT-ZWNOBZJWSA-N 1 2 233.315 1.412 20 0 BDADLO O=C(NCCn1cc[nH+]c1)Nc1nccs1 ZINC000043160866 182214853 /nfs/dbraw/zinc/21/48/53/182214853.db2.gz YEAWTETUIRPCDZ-UHFFFAOYSA-N 1 2 237.288 1.161 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC(F)(F)C1 ZINC000302196245 182212155 /nfs/dbraw/zinc/21/21/55/182212155.db2.gz IBIVZNYNYJTEII-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(CCF)CC1 ZINC000354205743 182212451 /nfs/dbraw/zinc/21/24/51/182212451.db2.gz RWACKNAGYWXUKH-UHFFFAOYSA-N 1 2 225.267 1.208 20 0 BDADLO O=C(NC[C@H]1CCCO1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000365389390 182238845 /nfs/dbraw/zinc/23/88/45/182238845.db2.gz XVCKFJOXWOXAML-NXEZZACHSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(NC[C@H]1CCCO1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000365389390 182238847 /nfs/dbraw/zinc/23/88/47/182238847.db2.gz XVCKFJOXWOXAML-NXEZZACHSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC(F)(F)C1 ZINC000300897810 182247524 /nfs/dbraw/zinc/24/75/24/182247524.db2.gz VOBVNOHFQZIKHU-ZETCQYMHSA-N 1 2 229.230 1.461 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC(F)(F)C1 ZINC000300897810 182247525 /nfs/dbraw/zinc/24/75/25/182247525.db2.gz VOBVNOHFQZIKHU-ZETCQYMHSA-N 1 2 229.230 1.461 20 0 BDADLO COCC[C@H](COC)Nc1[nH+]cccc1OC ZINC000383673814 374318592 /nfs/dbraw/zinc/31/85/92/374318592.db2.gz ABOPJZCTFOANGY-SNVBAGLBSA-N 1 2 240.303 1.554 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000370390273 182290976 /nfs/dbraw/zinc/29/09/76/182290976.db2.gz MBTUJKYUWZSCNN-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC1 ZINC000270104295 182301734 /nfs/dbraw/zinc/30/17/34/182301734.db2.gz XFZDFBUGVXVHHD-LLVKDONJSA-N 1 2 246.314 1.076 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@H](F)CC ZINC000440486084 206077726 /nfs/dbraw/zinc/07/77/26/206077726.db2.gz JCOPXYDIZZXLRP-PWSUYJOCSA-N 1 2 230.327 1.725 20 0 BDADLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@H](F)CC ZINC000440486084 206077729 /nfs/dbraw/zinc/07/77/29/206077729.db2.gz JCOPXYDIZZXLRP-PWSUYJOCSA-N 1 2 230.327 1.725 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000448678538 206083965 /nfs/dbraw/zinc/08/39/65/206083965.db2.gz WWWSTCZBDBNYGJ-VXGBXAGGSA-N 1 2 247.342 1.810 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451591845 206109123 /nfs/dbraw/zinc/10/91/23/206109123.db2.gz OFDMLYAYNCNEMT-NEPJUHHUSA-N 1 2 245.363 1.713 20 0 BDADLO CC[N@H+](Cc1cnc2ccccn12)C1COC1 ZINC000449426415 206097843 /nfs/dbraw/zinc/09/78/43/206097843.db2.gz POYUXJZMXMOQJD-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@@H+](Cc1cnc2ccccn12)C1COC1 ZINC000449426415 206097846 /nfs/dbraw/zinc/09/78/46/206097846.db2.gz POYUXJZMXMOQJD-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000450451255 206102690 /nfs/dbraw/zinc/10/26/90/206102690.db2.gz HGSJNEIICXDNCO-LBPRGKRZSA-N 1 2 236.319 1.197 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000450451255 206102696 /nfs/dbraw/zinc/10/26/96/206102696.db2.gz HGSJNEIICXDNCO-LBPRGKRZSA-N 1 2 236.319 1.197 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000450451255 206102698 /nfs/dbraw/zinc/10/26/98/206102698.db2.gz HGSJNEIICXDNCO-LBPRGKRZSA-N 1 2 236.319 1.197 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000450451255 206102703 /nfs/dbraw/zinc/10/27/03/206102703.db2.gz HGSJNEIICXDNCO-LBPRGKRZSA-N 1 2 236.319 1.197 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000450451255 206102707 /nfs/dbraw/zinc/10/27/07/206102707.db2.gz HGSJNEIICXDNCO-LBPRGKRZSA-N 1 2 236.319 1.197 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000450451255 206102711 /nfs/dbraw/zinc/10/27/11/206102711.db2.gz HGSJNEIICXDNCO-LBPRGKRZSA-N 1 2 236.319 1.197 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1nccs1 ZINC000365207402 182342644 /nfs/dbraw/zinc/34/26/44/182342644.db2.gz XXGRAYMFCPGXOD-ZETCQYMHSA-N 1 2 248.311 1.154 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1nccs1 ZINC000365207402 182342646 /nfs/dbraw/zinc/34/26/46/182342646.db2.gz XXGRAYMFCPGXOD-ZETCQYMHSA-N 1 2 248.311 1.154 20 0 BDADLO COC(=O)[C@@H]([N@@H+]1CC[C@@H](F)C1)C1(OC)CCC1 ZINC000459493212 206131475 /nfs/dbraw/zinc/13/14/75/206131475.db2.gz YRSVJAPRCRELGW-NXEZZACHSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]([N@H+]1CC[C@@H](F)C1)C1(OC)CCC1 ZINC000459493212 206131480 /nfs/dbraw/zinc/13/14/80/206131480.db2.gz YRSVJAPRCRELGW-NXEZZACHSA-N 1 2 245.294 1.141 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCOC1 ZINC000266045626 182374862 /nfs/dbraw/zinc/37/48/62/182374862.db2.gz GSKGUEIVAAJGHF-VIFPVBQESA-N 1 2 231.255 1.309 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1cccnc1 ZINC000358769558 182374291 /nfs/dbraw/zinc/37/42/91/182374291.db2.gz SBGJJVGTZKBIFN-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363077227 182384244 /nfs/dbraw/zinc/38/42/44/182384244.db2.gz KGSJXMDRHSPKNC-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOCC12CCC2 ZINC000178488935 134307150 /nfs/dbraw/zinc/30/71/50/134307150.db2.gz SCXHUTHMHVGFHJ-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOCC12CCC2 ZINC000178488935 134307151 /nfs/dbraw/zinc/30/71/51/134307151.db2.gz SCXHUTHMHVGFHJ-NSHDSACASA-N 1 2 240.347 1.156 20 0 BDADLO O=C1C[C@@H](Nc2cccc[nH+]2)CN1C1CC1 ZINC000267584660 182777190 /nfs/dbraw/zinc/77/71/90/182777190.db2.gz BYGKHBIKFDHUPY-SECBINFHSA-N 1 2 217.272 1.257 20 0 BDADLO CCOCCC[NH2+]C(C)(C)C(=O)OCC ZINC000121552998 170379852 /nfs/dbraw/zinc/37/98/52/170379852.db2.gz RACZYUZZXXYZJI-UHFFFAOYSA-N 1 2 217.309 1.344 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587853 168934943 /nfs/dbraw/zinc/93/49/43/168934943.db2.gz PVKPSSTZOPDQAS-JQWIXIFHSA-N 1 2 247.310 1.125 20 0 BDADLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587853 168934944 /nfs/dbraw/zinc/93/49/44/168934944.db2.gz PVKPSSTZOPDQAS-JQWIXIFHSA-N 1 2 247.310 1.125 20 0 BDADLO OC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000015306895 183030387 /nfs/dbraw/zinc/03/03/87/183030387.db2.gz XKESWDDNCYJTJK-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OCCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000279532412 183047554 /nfs/dbraw/zinc/04/75/54/183047554.db2.gz RONUUYOHBSLWTD-UHFFFAOYSA-N 1 2 221.304 1.929 20 0 BDADLO OCCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000278789544 183052441 /nfs/dbraw/zinc/05/24/41/183052441.db2.gz QDTYMTZQXQIFIS-UHFFFAOYSA-N 1 2 236.319 1.483 20 0 BDADLO OCCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000278789544 183052442 /nfs/dbraw/zinc/05/24/42/183052442.db2.gz QDTYMTZQXQIFIS-UHFFFAOYSA-N 1 2 236.319 1.483 20 0 BDADLO OCCCNc1cc[nH+]c2ccncc12 ZINC000268021034 183060504 /nfs/dbraw/zinc/06/05/04/183060504.db2.gz YVNWSLDJENPHQM-UHFFFAOYSA-N 1 2 203.245 1.424 20 0 BDADLO OCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000153631038 183067501 /nfs/dbraw/zinc/06/75/01/183067501.db2.gz YVBFLFGIZYPCBZ-UHFFFAOYSA-N 1 2 227.254 1.922 20 0 BDADLO OCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000153631038 183067504 /nfs/dbraw/zinc/06/75/04/183067504.db2.gz YVBFLFGIZYPCBZ-UHFFFAOYSA-N 1 2 227.254 1.922 20 0 BDADLO OCC[N@H+](Cc1ccccc1)Cc1ncccn1 ZINC000054462452 183070502 /nfs/dbraw/zinc/07/05/02/183070502.db2.gz DRRXTUWCJDFFTF-UHFFFAOYSA-N 1 2 243.310 1.471 20 0 BDADLO OCC[N@@H+](Cc1ccccc1)Cc1ncccn1 ZINC000054462452 183070503 /nfs/dbraw/zinc/07/05/03/183070503.db2.gz DRRXTUWCJDFFTF-UHFFFAOYSA-N 1 2 243.310 1.471 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185588584 183075563 /nfs/dbraw/zinc/07/55/63/183075563.db2.gz PPWPNSDRGIFYPP-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185588584 183075564 /nfs/dbraw/zinc/07/55/64/183075564.db2.gz PPWPNSDRGIFYPP-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000336324701 183076738 /nfs/dbraw/zinc/07/67/38/183076738.db2.gz YTUFTVZCQPBBHC-GFCCVEGCSA-N 1 2 227.254 1.689 20 0 BDADLO OCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000336324701 183076741 /nfs/dbraw/zinc/07/67/41/183076741.db2.gz YTUFTVZCQPBBHC-GFCCVEGCSA-N 1 2 227.254 1.689 20 0 BDADLO OC[C@@H]([NH2+]Cc1cnns1)c1ccccc1 ZINC000290027074 183109267 /nfs/dbraw/zinc/10/92/67/183109267.db2.gz NCBWJBNUYQMUNO-LLVKDONJSA-N 1 2 235.312 1.361 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2cncs2)C1 ZINC000289660175 183135061 /nfs/dbraw/zinc/13/50/61/183135061.db2.gz CTJQGOBWBBSBHB-SNVBAGLBSA-N 1 2 230.308 1.440 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2cncs2)C1 ZINC000289660175 183135064 /nfs/dbraw/zinc/13/50/64/183135064.db2.gz CTJQGOBWBBSBHB-SNVBAGLBSA-N 1 2 230.308 1.440 20 0 BDADLO OC[C@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000082493722 183141334 /nfs/dbraw/zinc/14/13/34/183141334.db2.gz OUKUDFUDGOZGMQ-NSHDSACASA-N 1 2 234.324 1.966 20 0 BDADLO OC[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000183847485 183141769 /nfs/dbraw/zinc/14/17/69/183141769.db2.gz ZUZQCNPFVQKYNZ-LBPRGKRZSA-N 1 2 218.256 1.498 20 0 BDADLO CCCCc1nc(C[N@@H+]2CCC[C@H]2CO)no1 ZINC000336687088 169025540 /nfs/dbraw/zinc/02/55/40/169025540.db2.gz GLBCLCNNVRMUKJ-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1nc(C[N@H+]2CCC[C@H]2CO)no1 ZINC000336687088 169025543 /nfs/dbraw/zinc/02/55/43/169025543.db2.gz GLBCLCNNVRMUKJ-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1nc(C[N@@H+]2CCC[C@@H]2CO)no1 ZINC000303255501 169026090 /nfs/dbraw/zinc/02/60/90/169026090.db2.gz GLBCLCNNVRMUKJ-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1nc(C[N@H+]2CCC[C@@H]2CO)no1 ZINC000303255501 169026091 /nfs/dbraw/zinc/02/60/91/169026091.db2.gz GLBCLCNNVRMUKJ-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1nc(Cn2cc[nH+]c2)no1 ZINC000064931666 169026267 /nfs/dbraw/zinc/02/62/67/169026267.db2.gz JSHDNPGZEAZJDS-UHFFFAOYSA-N 1 2 206.249 1.657 20 0 BDADLO OC[C@H]1C=C[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000277199508 183146528 /nfs/dbraw/zinc/14/65/28/183146528.db2.gz ITKSYJNDCYXOTG-WDEREUQCSA-N 1 2 241.294 1.979 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCc1ccccc1 ZINC000366663755 183146727 /nfs/dbraw/zinc/14/67/27/183146727.db2.gz NZBZFNGVBMHJBZ-GFCCVEGCSA-N 1 2 241.281 1.931 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCc1ccccc1 ZINC000366663755 183146728 /nfs/dbraw/zinc/14/67/28/183146728.db2.gz NZBZFNGVBMHJBZ-GFCCVEGCSA-N 1 2 241.281 1.931 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2cccnc2)C1 ZINC000287095916 183157190 /nfs/dbraw/zinc/15/71/90/183157190.db2.gz WDGBOBKCMQSADL-LBPRGKRZSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2cccnc2)C1 ZINC000287095916 183157193 /nfs/dbraw/zinc/15/71/93/183157193.db2.gz WDGBOBKCMQSADL-LBPRGKRZSA-N 1 2 224.279 1.378 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000377700349 183157744 /nfs/dbraw/zinc/15/77/44/183157744.db2.gz NEUPJYKJTNYNCM-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000377700349 183157746 /nfs/dbraw/zinc/15/77/46/183157746.db2.gz NEUPJYKJTNYNCM-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO O[C@@H](C[N@@H+]1CCOC2(CCC2)C1)C(F)(F)F ZINC000121867890 183177232 /nfs/dbraw/zinc/17/72/32/183177232.db2.gz PSNXXPFOWRAFLN-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO O[C@@H](C[N@H+]1CCOC2(CCC2)C1)C(F)(F)F ZINC000121867890 183177234 /nfs/dbraw/zinc/17/72/34/183177234.db2.gz PSNXXPFOWRAFLN-QMMMGPOBSA-N 1 2 239.237 1.165 20 0 BDADLO CCCN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000339287573 169051219 /nfs/dbraw/zinc/05/12/19/169051219.db2.gz QORSSYZZZPPAAZ-UHFFFAOYSA-N 1 2 248.317 1.832 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000137031007 183200048 /nfs/dbraw/zinc/20/00/48/183200048.db2.gz BWCUSHFDHQDWFG-SNVBAGLBSA-N 1 2 224.329 1.587 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000137031007 183200049 /nfs/dbraw/zinc/20/00/49/183200049.db2.gz BWCUSHFDHQDWFG-SNVBAGLBSA-N 1 2 224.329 1.587 20 0 BDADLO O[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000336511433 183201240 /nfs/dbraw/zinc/20/12/40/183201240.db2.gz LGRJXHQBWWHQDQ-LLVKDONJSA-N 1 2 232.258 1.945 20 0 BDADLO O[C@@H]1C[NH+](Cc2ccc(Cl)c(F)c2)C[C@H]1O ZINC000236529759 183206724 /nfs/dbraw/zinc/20/67/24/183206724.db2.gz JTHNCFACQDYDJD-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[NH+](Cc2ccc(F)c(Cl)c2)C[C@H]1O ZINC000236529901 183207264 /nfs/dbraw/zinc/20/72/64/183207264.db2.gz CPMFETLHNZPDBZ-GHMZBOCLSA-N 1 2 245.681 1.017 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cccn1C ZINC000178870912 169100414 /nfs/dbraw/zinc/10/04/14/169100414.db2.gz MGFJNCFPQDRLRD-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cccn1C ZINC000178870912 169100415 /nfs/dbraw/zinc/10/04/15/169100415.db2.gz MGFJNCFPQDRLRD-UHFFFAOYSA-N 1 2 224.304 1.410 20 0 BDADLO O[C@H](CNc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000270287112 183225434 /nfs/dbraw/zinc/22/54/34/183225434.db2.gz KZRYYTWJDJQPEW-LLVKDONJSA-N 1 2 248.330 1.481 20 0 BDADLO O[C@H](CNc1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000270287112 183225435 /nfs/dbraw/zinc/22/54/35/183225435.db2.gz KZRYYTWJDJQPEW-LLVKDONJSA-N 1 2 248.330 1.481 20 0 BDADLO O[C@H]1C[NH+](Cc2cccc(Cl)c2F)C[C@@H]1O ZINC000236593888 183243930 /nfs/dbraw/zinc/24/39/30/183243930.db2.gz HIDXJDHRNBNPDY-UWVGGRQHSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000294775897 183245922 /nfs/dbraw/zinc/24/59/22/183245922.db2.gz KRLKNFQMYBIFAI-SNVBAGLBSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000294775897 183245926 /nfs/dbraw/zinc/24/59/26/183245926.db2.gz KRLKNFQMYBIFAI-SNVBAGLBSA-N 1 2 243.253 1.158 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H](O)C2)c1F ZINC000294940828 183273322 /nfs/dbraw/zinc/27/33/22/183273322.db2.gz PJCGVEGQMWWNAO-SSDOTTSWSA-N 1 2 229.226 1.237 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H](O)C2)c1F ZINC000294940828 183273324 /nfs/dbraw/zinc/27/33/24/183273324.db2.gz PJCGVEGQMWWNAO-SSDOTTSWSA-N 1 2 229.226 1.237 20 0 BDADLO CCCN(CCC)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000357042322 169144191 /nfs/dbraw/zinc/14/41/91/169144191.db2.gz KICZIRMUBMNOES-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO Oc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000238160430 183291370 /nfs/dbraw/zinc/29/13/70/183291370.db2.gz ALFSRBRPOVJIOU-UHFFFAOYSA-N 1 2 204.229 1.670 20 0 BDADLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092616782 169177327 /nfs/dbraw/zinc/17/73/27/169177327.db2.gz YZHJHGQCRBREFG-UHFFFAOYSA-N 1 2 246.314 1.510 20 0 BDADLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092616782 169177328 /nfs/dbraw/zinc/17/73/28/169177328.db2.gz YZHJHGQCRBREFG-UHFFFAOYSA-N 1 2 246.314 1.510 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CCC3CC3)C2)[nH]1 ZINC000329614835 183307380 /nfs/dbraw/zinc/30/73/80/183307380.db2.gz DBIVNHGCDHVFIJ-SNVBAGLBSA-N 1 2 236.319 1.490 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCC3CC3)C2)[nH]1 ZINC000329614835 183307383 /nfs/dbraw/zinc/30/73/83/183307383.db2.gz DBIVNHGCDHVFIJ-SNVBAGLBSA-N 1 2 236.319 1.490 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC3CCC3)C2)[nH]1 ZINC000329655596 183306971 /nfs/dbraw/zinc/30/69/71/183306971.db2.gz MGYZIYFTFXZEGC-SNVBAGLBSA-N 1 2 236.319 1.490 20 0 BDADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CCC3)C2)[nH]1 ZINC000329655596 183306972 /nfs/dbraw/zinc/30/69/72/183306972.db2.gz MGYZIYFTFXZEGC-SNVBAGLBSA-N 1 2 236.319 1.490 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000036915635 169227869 /nfs/dbraw/zinc/22/78/69/169227869.db2.gz FPIAJNBODBZALT-QMMMGPOBSA-N 1 2 241.360 1.628 20 0 BDADLO c1cc2nsnc2c(C[NH+]2CCOCC2)c1 ZINC000268882919 183344066 /nfs/dbraw/zinc/34/40/66/183344066.db2.gz MFDQWSBWWBXCMX-UHFFFAOYSA-N 1 2 235.312 1.524 20 0 BDADLO c1cn2c(cccc2CN2CCO[C@@H]3C[C@@H]32)[nH+]1 ZINC000366559517 183345053 /nfs/dbraw/zinc/34/50/53/183345053.db2.gz NNDDWVLJENLQOF-NWDGAFQWSA-N 1 2 229.283 1.307 20 0 BDADLO c1cn(-c2cccc(N[C@H]3CCCOC3)n2)c[nH+]1 ZINC000366459429 183334173 /nfs/dbraw/zinc/33/41/73/183334173.db2.gz WHJJIDAKXWGZRR-NSHDSACASA-N 1 2 244.298 1.280 20 0 BDADLO c1cc2[nH+]ccc(N[C@@H]3C[C@H]4CC[C@@H]3O4)c2cn1 ZINC000370346455 183363168 /nfs/dbraw/zinc/36/31/68/183363168.db2.gz HWXNHOLWFQXUJU-FZQKWOKYSA-N 1 2 241.294 1.784 20 0 BDADLO c1n[nH]cc1CCNc1cc[nH+]c2ccncc12 ZINC000357607799 183363623 /nfs/dbraw/zinc/36/36/23/183363623.db2.gz GGJWANUIKGPDDN-UHFFFAOYSA-N 1 2 239.282 1.429 20 0 BDADLO c1cc(C[NH+]2CCOCC2)cc2c1OCC2 ZINC000109824526 183367897 /nfs/dbraw/zinc/36/78/97/183367897.db2.gz GOISBAJLVPNVMT-UHFFFAOYSA-N 1 2 219.284 1.454 20 0 BDADLO c1[nH]nc2cc(C[N@@H+]3CCO[C@H]4C[C@H]43)ccc12 ZINC000366546343 183375047 /nfs/dbraw/zinc/37/50/47/183375047.db2.gz UJGJJPWHICMFJK-OLZOCXBDSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]nc2cc(C[N@H+]3CCO[C@H]4C[C@H]43)ccc12 ZINC000366546343 183375048 /nfs/dbraw/zinc/37/50/48/183375048.db2.gz UJGJJPWHICMFJK-OLZOCXBDSA-N 1 2 229.283 1.536 20 0 BDADLO CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000041816741 169250391 /nfs/dbraw/zinc/25/03/91/169250391.db2.gz YVBNUNKMHMQREM-UHFFFAOYSA-N 1 2 230.271 1.407 20 0 BDADLO CCCOc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000179594373 169324735 /nfs/dbraw/zinc/32/47/35/169324735.db2.gz QZNPNHZLFXPKAU-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO CCCOc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000179594373 169324737 /nfs/dbraw/zinc/32/47/37/169324737.db2.gz QZNPNHZLFXPKAU-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO CCC[C@@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000371701886 169349422 /nfs/dbraw/zinc/34/94/22/169349422.db2.gz VMIJIVKFDAXCBN-SNVBAGLBSA-N 1 2 235.331 1.970 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000299628138 169362453 /nfs/dbraw/zinc/36/24/53/169362453.db2.gz GDBOIJUXGKWAKF-LLVKDONJSA-N 1 2 223.320 1.920 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncnn2CC)CCS1 ZINC000193364908 259600963 /nfs/dbraw/zinc/60/09/63/259600963.db2.gz XWCJMAKYSWDXPW-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncnn2CC)CCS1 ZINC000193364908 259600964 /nfs/dbraw/zinc/60/09/64/259600964.db2.gz XWCJMAKYSWDXPW-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO c1nc(C[NH+]2CCC3(CC2)OCCO3)cs1 ZINC000085273808 183529587 /nfs/dbraw/zinc/52/95/87/183529587.db2.gz FFSBZFKUWHFZPZ-UHFFFAOYSA-N 1 2 240.328 1.482 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349203900 535462328 /nfs/dbraw/zinc/46/23/28/535462328.db2.gz TUOVRZRISUQIHU-NXEZZACHSA-N 1 2 239.319 1.582 20 0 BDADLO O=C1NCCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225334002 134355054 /nfs/dbraw/zinc/35/50/54/134355054.db2.gz VLZMEHKOPLKOKQ-LURJTMIESA-N 1 2 245.735 1.165 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000183663901 134355508 /nfs/dbraw/zinc/35/55/08/134355508.db2.gz YZVUONWIGGOOIP-QWRGUYRKSA-N 1 2 245.363 1.979 20 0 BDADLO CCCc1occc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000336990984 169609172 /nfs/dbraw/zinc/60/91/72/169609172.db2.gz KZGFNLXAMUXXKN-UHFFFAOYSA-N 1 2 247.298 1.928 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@@H]1CCCO1 ZINC000336420725 383835457 /nfs/dbraw/zinc/83/54/57/383835457.db2.gz LMERNWXOFWBGMS-BONVTDFDSA-N 1 2 231.361 1.008 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@@H]1CCCO1 ZINC000336420725 383835464 /nfs/dbraw/zinc/83/54/64/383835464.db2.gz LMERNWXOFWBGMS-BONVTDFDSA-N 1 2 231.361 1.008 20 0 BDADLO CCC[C@](C)([NH2+]CCn1cccn1)C(=O)OC ZINC000111247448 383842914 /nfs/dbraw/zinc/84/29/14/383842914.db2.gz BXPAUUHUKZTACW-LBPRGKRZSA-N 1 2 239.319 1.205 20 0 BDADLO c1cn(CCCNc2nncs2)c[nH+]1 ZINC000069965784 383856791 /nfs/dbraw/zinc/85/67/91/383856791.db2.gz JTZYQTSDYJSCIV-UHFFFAOYSA-N 1 2 209.278 1.237 20 0 BDADLO O=C(C1=CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000291113732 383908042 /nfs/dbraw/zinc/90/80/42/383908042.db2.gz MUJONYKLYCHGCQ-UHFFFAOYSA-N 1 2 231.299 1.726 20 0 BDADLO CCCn1ncnc1C[NH2+][C@@H](C)c1ccccn1 ZINC000088589311 383916061 /nfs/dbraw/zinc/91/60/61/383916061.db2.gz LEGMFDIXSRNMRW-NSHDSACASA-N 1 2 245.330 1.934 20 0 BDADLO CC[C@H](O)[C@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC000313134846 383920228 /nfs/dbraw/zinc/92/02/28/383920228.db2.gz DVGYKMUBCMYKRL-UWVGGRQHSA-N 1 2 249.318 1.325 20 0 BDADLO CC[C@@H](O)[C@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC000313134848 383920741 /nfs/dbraw/zinc/92/07/41/383920741.db2.gz DVGYKMUBCMYKRL-VHSXEESVSA-N 1 2 249.318 1.325 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(O)c1 ZINC000088751533 383921708 /nfs/dbraw/zinc/92/17/08/383921708.db2.gz XATVVHGCRMJSFR-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO COc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(O)c1 ZINC000088751533 383921713 /nfs/dbraw/zinc/92/17/13/383921713.db2.gz XATVVHGCRMJSFR-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO COC(=O)c1ccc(Cn2cc[nH+]c2)cc1F ZINC000089102290 383932380 /nfs/dbraw/zinc/93/23/80/383932380.db2.gz QMBOFWJKXCCFSR-UHFFFAOYSA-N 1 2 234.230 1.857 20 0 BDADLO CC[C@@H](O)[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC000313098243 383883733 /nfs/dbraw/zinc/88/37/33/383883733.db2.gz MTRSHUJNQZNBFR-VHSXEESVSA-N 1 2 209.293 1.746 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@@H](O)CC ZINC000313098244 383884637 /nfs/dbraw/zinc/88/46/37/383884637.db2.gz MTRSHUJNQZNBFR-ZJUUUORDSA-N 1 2 209.293 1.746 20 0 BDADLO CCc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088357762 383896939 /nfs/dbraw/zinc/89/69/39/383896939.db2.gz UKHZIVFJOSPUCP-GFCCVEGCSA-N 1 2 234.299 1.176 20 0 BDADLO CCN(CC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000112212420 383902686 /nfs/dbraw/zinc/90/26/86/383902686.db2.gz YMSSBUCRPNDBNP-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO CC[C@H](NC(=O)c1cc(C)nn1C)c1[nH]cc[nH+]1 ZINC000140451630 383903524 /nfs/dbraw/zinc/90/35/24/383903524.db2.gz CZCZSCLKWWDQGV-VIFPVBQESA-N 1 2 247.302 1.333 20 0 BDADLO Cc1ncc(C[N@H+](C2CC2)C2COC2)s1 ZINC000449352923 383936274 /nfs/dbraw/zinc/93/62/74/383936274.db2.gz ZJGASBIRSPVEEE-UHFFFAOYSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ncc(C[N@@H+](C2CC2)C2COC2)s1 ZINC000449352923 383936277 /nfs/dbraw/zinc/93/62/77/383936277.db2.gz ZJGASBIRSPVEEE-UHFFFAOYSA-N 1 2 224.329 1.815 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)OCC(F)(F)F ZINC000112676405 383939097 /nfs/dbraw/zinc/93/90/97/383939097.db2.gz AVYSVXXMKXQNCU-UHFFFAOYSA-N 1 2 237.181 1.209 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCOC(C)(C)C1 ZINC000569367470 383952087 /nfs/dbraw/zinc/95/20/87/383952087.db2.gz CTYPHTMUEOBNFW-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO Cc1nnsc1C[N@H+]1CCOC(C)(C)C1 ZINC000569367470 383952092 /nfs/dbraw/zinc/95/20/92/383952092.db2.gz CTYPHTMUEOBNFW-UHFFFAOYSA-N 1 2 227.333 1.457 20 0 BDADLO CN(CC(=O)OC(C)(C)C)Cc1[nH+]ccn1C ZINC000071115260 383972384 /nfs/dbraw/zinc/97/23/84/383972384.db2.gz MIUIOIWGSJFOSM-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CS(=O)(=O)CC[NH2+]Cc1c(F)cccc1F ZINC000037740401 384005478 /nfs/dbraw/zinc/00/54/78/384005478.db2.gz GWBFVWKUCWMMDM-UHFFFAOYSA-N 1 2 249.282 1.099 20 0 BDADLO COC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000069054118 384030000 /nfs/dbraw/zinc/03/00/00/384030000.db2.gz AJHZEXAKMIVJMW-NSHDSACASA-N 1 2 234.299 1.660 20 0 BDADLO COc1ncncc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000647217501 384038800 /nfs/dbraw/zinc/03/88/00/384038800.db2.gz UBRUGVCSCUSMRA-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO FCC(CF)[NH2+]C/C=C\c1ccncc1 ZINC000449379217 384083078 /nfs/dbraw/zinc/08/30/78/384083078.db2.gz HLHYIJVWRWUOOB-UPHRSURJSA-N 1 2 212.243 1.992 20 0 BDADLO C[C@@H]1[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1(F)F ZINC000336536261 384090310 /nfs/dbraw/zinc/09/03/10/384090310.db2.gz CTDSLKAOMRAMAD-VXNVDRBHSA-N 1 2 241.241 1.127 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000049956403 384071665 /nfs/dbraw/zinc/07/16/65/384071665.db2.gz QBARAMIIOQKYRO-VIFPVBQESA-N 1 2 225.263 1.819 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000049956403 384071671 /nfs/dbraw/zinc/07/16/71/384071671.db2.gz QBARAMIIOQKYRO-VIFPVBQESA-N 1 2 225.263 1.819 20 0 BDADLO COC[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000078948454 384109485 /nfs/dbraw/zinc/10/94/85/384109485.db2.gz OGQYYFADQLNJPB-ZETCQYMHSA-N 1 2 213.306 1.494 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](O)CC1 ZINC000293922003 384127808 /nfs/dbraw/zinc/12/78/08/384127808.db2.gz DTSIVHRMIVDZQY-NSHDSACASA-N 1 2 245.326 1.925 20 0 BDADLO O=C(CCc1cccs1)NCc1[nH]cc[nH+]1 ZINC000070651479 384130580 /nfs/dbraw/zinc/13/05/80/384130580.db2.gz UQPKFLKAZMJDDZ-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO COCCCn1nccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000449390614 384149421 /nfs/dbraw/zinc/14/94/21/384149421.db2.gz GVTBKPOFZXJAGP-LLVKDONJSA-N 1 2 241.310 1.463 20 0 BDADLO COCCCn1nccc1C[N@H+]1CC[C@@H](F)C1 ZINC000449390614 384149426 /nfs/dbraw/zinc/14/94/26/384149426.db2.gz GVTBKPOFZXJAGP-LLVKDONJSA-N 1 2 241.310 1.463 20 0 BDADLO O=C(CC[C@@H]1CCCCO1)NCc1[nH]cc[nH+]1 ZINC000070991073 384144864 /nfs/dbraw/zinc/14/48/64/384144864.db2.gz ODJDZEYRGZDXOY-JTQLQIEISA-N 1 2 237.303 1.375 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000071010201 384145298 /nfs/dbraw/zinc/14/52/98/384145298.db2.gz HSXPPBTZMKEUSL-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000071010201 384145307 /nfs/dbraw/zinc/14/53/07/384145307.db2.gz HSXPPBTZMKEUSL-UHFFFAOYSA-N 1 2 235.331 1.382 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1ccccc1)C1CC1 ZINC000041047497 384174986 /nfs/dbraw/zinc/17/49/86/384174986.db2.gz MAOFRVAWNYNGOV-GFCCVEGCSA-N 1 2 219.284 1.728 20 0 BDADLO CN(Cc1cccnc1)c1nc[nH+]c(N)c1Cl ZINC000234322211 384170589 /nfs/dbraw/zinc/17/05/89/384170589.db2.gz LZBXJBYRIYILOV-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO CC(F)(F)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647260543 384181615 /nfs/dbraw/zinc/18/16/15/384181615.db2.gz IXKMBLVJLQDMML-QMMMGPOBSA-N 1 2 243.257 1.217 20 0 BDADLO C[C@@H](CC(N)=O)[NH2+]CC(F)(F)c1ccccc1 ZINC000227904418 134399006 /nfs/dbraw/zinc/39/90/06/134399006.db2.gz UFJYIIYLCOYFMZ-VIFPVBQESA-N 1 2 242.269 1.632 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000445193002 384190848 /nfs/dbraw/zinc/19/08/48/384190848.db2.gz ZELJTCYVVJLSGL-UHFFFAOYSA-N 1 2 247.302 1.528 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703394 384190836 /nfs/dbraw/zinc/19/08/36/384190836.db2.gz JXCIXORKBNEKMK-RYUDHWBXSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703394 384190839 /nfs/dbraw/zinc/19/08/39/384190839.db2.gz JXCIXORKBNEKMK-RYUDHWBXSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)C2)o1 ZINC000042544288 384230673 /nfs/dbraw/zinc/23/06/73/384230673.db2.gz JUHPLJXIWKHCPT-QWRGUYRKSA-N 1 2 208.305 1.943 20 0 BDADLO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)C2)o1 ZINC000042544288 384230678 /nfs/dbraw/zinc/23/06/78/384230678.db2.gz JUHPLJXIWKHCPT-QWRGUYRKSA-N 1 2 208.305 1.943 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CCCOCC2)cc1 ZINC000336557460 384238218 /nfs/dbraw/zinc/23/82/18/384238218.db2.gz DPRCHASYXHKCPL-UHFFFAOYSA-N 1 2 248.326 1.656 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CCCOCC2)cc1 ZINC000336557460 384238222 /nfs/dbraw/zinc/23/82/22/384238222.db2.gz DPRCHASYXHKCPL-UHFFFAOYSA-N 1 2 248.326 1.656 20 0 BDADLO Cc1[nH]nc2cc(NC(=O)C[NH+](C)C)ccc12 ZINC000132175768 384220576 /nfs/dbraw/zinc/22/05/76/384220576.db2.gz NFDUBLMZGGOPLY-UHFFFAOYSA-N 1 2 232.287 1.371 20 0 BDADLO Cc1csc(C[NH2+]Cc2cncn2C)n1 ZINC000082394102 384227752 /nfs/dbraw/zinc/22/77/52/384227752.db2.gz SCIKCDYHGNDWGK-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC(C)C ZINC000132394156 384229054 /nfs/dbraw/zinc/22/90/54/384229054.db2.gz MHJPZYPIDTZBTF-UHFFFAOYSA-N 1 2 242.344 1.894 20 0 BDADLO CC[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000304401510 384276966 /nfs/dbraw/zinc/27/69/66/384276966.db2.gz AWWZDJPJTXWIOT-VIFPVBQESA-N 1 2 221.308 1.389 20 0 BDADLO CC[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000304401510 384276970 /nfs/dbraw/zinc/27/69/70/384276970.db2.gz AWWZDJPJTXWIOT-VIFPVBQESA-N 1 2 221.308 1.389 20 0 BDADLO C[C@H](O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000278947865 384244993 /nfs/dbraw/zinc/24/49/93/384244993.db2.gz WWHMZHCYOVFKFJ-VIFPVBQESA-N 1 2 221.304 1.927 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnccn2)CCO1 ZINC000560604215 384247383 /nfs/dbraw/zinc/24/73/83/384247383.db2.gz BWZQCTYDUQUMSQ-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnccn2)CCO1 ZINC000560604215 384247390 /nfs/dbraw/zinc/24/73/90/384247390.db2.gz BWZQCTYDUQUMSQ-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000093528234 384247808 /nfs/dbraw/zinc/24/78/08/384247808.db2.gz FRURFWRZRBBBIP-NSHDSACASA-N 1 2 211.261 1.127 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000093528234 384247816 /nfs/dbraw/zinc/24/78/16/384247816.db2.gz FRURFWRZRBBBIP-NSHDSACASA-N 1 2 211.261 1.127 20 0 BDADLO c1nc2n(n1)CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000559155831 384268421 /nfs/dbraw/zinc/26/84/21/384268421.db2.gz RYSPABLRBAWVML-LBPRGKRZSA-N 1 2 232.331 1.983 20 0 BDADLO c1nc2n(n1)CC[N@H+]([C@H]1C=CCCCCC1)C2 ZINC000559155831 384268424 /nfs/dbraw/zinc/26/84/24/384268424.db2.gz RYSPABLRBAWVML-LBPRGKRZSA-N 1 2 232.331 1.983 20 0 BDADLO CN(Cc1ccco1)C(=O)NCCn1cc[nH+]c1 ZINC000043311412 384269943 /nfs/dbraw/zinc/26/99/43/384269943.db2.gz HGXOGLQSHBENKH-UHFFFAOYSA-N 1 2 248.286 1.318 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)c1cccnc1)c1[nH]cc[nH+]1 ZINC000560698342 384304430 /nfs/dbraw/zinc/30/44/30/384304430.db2.gz KKIIGWBMTBZTRS-VHSXEESVSA-N 1 2 244.298 1.786 20 0 BDADLO Cc1[nH]nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000560698805 384304890 /nfs/dbraw/zinc/30/48/90/384304890.db2.gz XFNUSYYZCHAPOE-MRVPVSSYSA-N 1 2 233.275 1.241 20 0 BDADLO CC[C@@H](COC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119502284 384281369 /nfs/dbraw/zinc/28/13/69/384281369.db2.gz UWZLMFXEFLIXLM-JTQLQIEISA-N 1 2 237.303 1.937 20 0 BDADLO Cc1ccnc(N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000043561654 384286357 /nfs/dbraw/zinc/28/63/57/384286357.db2.gz VSPNEEXCKMQEIJ-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO C[C@H](CO)N(C)c1[nH+]c2ccccc2n1C ZINC000158996385 384296256 /nfs/dbraw/zinc/29/62/56/384296256.db2.gz CXPBTHYJCCYWCZ-SECBINFHSA-N 1 2 219.288 1.390 20 0 BDADLO c1ccc(N2CCOC3(CCOCC3)C2)[nH+]c1 ZINC000133587588 384299826 /nfs/dbraw/zinc/29/98/26/384299826.db2.gz UXVZNVFOZOJLRZ-UHFFFAOYSA-N 1 2 234.299 1.467 20 0 BDADLO Cc1nc(N2C[C@@H](C)S[C@@H](C)C2)nc(N)[nH+]1 ZINC000304511198 384343121 /nfs/dbraw/zinc/34/31/21/384343121.db2.gz RDQRCIGZASJNPA-KNVOCYPGSA-N 1 2 239.348 1.092 20 0 BDADLO Cc1nc(N)nc(N2C[C@@H](C)S[C@@H](C)C2)[nH+]1 ZINC000304511198 384343124 /nfs/dbraw/zinc/34/31/24/384343124.db2.gz RDQRCIGZASJNPA-KNVOCYPGSA-N 1 2 239.348 1.092 20 0 BDADLO CC[N@H+](Cc1cnc(C)cn1)C1COC1 ZINC000449424602 384324009 /nfs/dbraw/zinc/32/40/09/384324009.db2.gz KIRHYOHIUGPIMX-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CC[N@@H+](Cc1cnc(C)cn1)C1COC1 ZINC000449424602 384324012 /nfs/dbraw/zinc/32/40/12/384324012.db2.gz KIRHYOHIUGPIMX-UHFFFAOYSA-N 1 2 207.277 1.006 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccon1 ZINC000077313787 384403150 /nfs/dbraw/zinc/40/31/50/384403150.db2.gz LFPPSFLTHUOWFL-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccon1 ZINC000077313787 384403155 /nfs/dbraw/zinc/40/31/55/384403155.db2.gz LFPPSFLTHUOWFL-LBPRGKRZSA-N 1 2 224.304 1.922 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@]12C[C@@H]1CCC2 ZINC000643352285 384403875 /nfs/dbraw/zinc/40/38/75/384403875.db2.gz ADODBYRKMRZMGM-WDMOLILDSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC1(C)COC1 ZINC000121545433 384426592 /nfs/dbraw/zinc/42/65/92/384426592.db2.gz JLCLWDKJTWYUFX-UHFFFAOYSA-N 1 2 235.287 1.548 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000556502124 384414474 /nfs/dbraw/zinc/41/44/74/384414474.db2.gz KHCGADQYKUWGBJ-JTQLQIEISA-N 1 2 223.320 1.824 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H](CC2CC2)C1 ZINC000359686336 384378672 /nfs/dbraw/zinc/37/86/72/384378672.db2.gz GKIPCWVKONSBNQ-CYBMUJFWSA-N 1 2 247.342 1.922 20 0 BDADLO C[N@H+](CC[C@H]1CCOC1=O)Cc1nccs1 ZINC000120803486 384383868 /nfs/dbraw/zinc/38/38/68/384383868.db2.gz LVUNBEVVCNFTIU-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO C[N@@H+](CC[C@H]1CCOC1=O)Cc1nccs1 ZINC000120803486 384383873 /nfs/dbraw/zinc/38/38/73/384383873.db2.gz LVUNBEVVCNFTIU-VIFPVBQESA-N 1 2 240.328 1.528 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H]1C ZINC000120978176 384390323 /nfs/dbraw/zinc/39/03/23/384390323.db2.gz KYKABYZFIKGUMM-GMSGAONNSA-N 1 2 205.261 1.920 20 0 BDADLO CC(C)c1noc(OCCn2cc[nH+]c2)n1 ZINC000121914255 384444635 /nfs/dbraw/zinc/44/46/35/384444635.db2.gz FNWZZOXGOCPCEN-UHFFFAOYSA-N 1 2 222.248 1.469 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000556680071 384450604 /nfs/dbraw/zinc/45/06/04/384450604.db2.gz MVNBJOPRJHYQFX-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000556680071 384450611 /nfs/dbraw/zinc/45/06/11/384450611.db2.gz MVNBJOPRJHYQFX-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO C[C@H](CC(=O)NC(C)(C)C)n1cc[nH+]c1 ZINC000556686746 384453141 /nfs/dbraw/zinc/45/31/41/384453141.db2.gz PVYREKSQHXPQHS-SECBINFHSA-N 1 2 209.293 1.749 20 0 BDADLO C[C@H](F)CCNC(=O)CCCn1cc[nH+]c1 ZINC000647267356 384433128 /nfs/dbraw/zinc/43/31/28/384433128.db2.gz ILZYRSSOVCOWIB-JTQLQIEISA-N 1 2 227.283 1.528 20 0 BDADLO CC(C)N(Cc1c[nH+]cn1C)CC(F)F ZINC000135395826 384440732 /nfs/dbraw/zinc/44/07/32/384440732.db2.gz JOOFGDGFJPDZJS-UHFFFAOYSA-N 1 2 217.263 1.896 20 0 BDADLO Nc1[nH+]cnc(NCC[C@H]2CCCO2)c1Cl ZINC000236391392 384443301 /nfs/dbraw/zinc/44/33/01/384443301.db2.gz IFOFRPOGWIGGPJ-SSDOTTSWSA-N 1 2 242.710 1.693 20 0 BDADLO Nc1nc[nH+]c(NCC[C@H]2CCCO2)c1Cl ZINC000236391392 384443303 /nfs/dbraw/zinc/44/33/03/384443303.db2.gz IFOFRPOGWIGGPJ-SSDOTTSWSA-N 1 2 242.710 1.693 20 0 BDADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCNC(=O)C1 ZINC000078847175 384470587 /nfs/dbraw/zinc/47/05/87/384470587.db2.gz AZSZURDOTOQNRB-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCNC(=O)C1 ZINC000078847175 384470594 /nfs/dbraw/zinc/47/05/94/384470594.db2.gz AZSZURDOTOQNRB-LBPRGKRZSA-N 1 2 236.290 1.709 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)no1 ZINC000408433670 384473105 /nfs/dbraw/zinc/47/31/05/384473105.db2.gz NHLHLWFIGDAKCE-ATZCPNFKSA-N 1 2 239.319 1.359 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)no1 ZINC000408433670 384473112 /nfs/dbraw/zinc/47/31/12/384473112.db2.gz NHLHLWFIGDAKCE-ATZCPNFKSA-N 1 2 239.319 1.359 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)no1 ZINC000408433676 384473148 /nfs/dbraw/zinc/47/31/48/384473148.db2.gz NHLHLWFIGDAKCE-QXEWZRGKSA-N 1 2 239.319 1.359 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)no1 ZINC000408433676 384473155 /nfs/dbraw/zinc/47/31/55/384473155.db2.gz NHLHLWFIGDAKCE-QXEWZRGKSA-N 1 2 239.319 1.359 20 0 BDADLO CCCCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000079512048 384499751 /nfs/dbraw/zinc/49/97/51/384499751.db2.gz YQWUWFHFCHMMKR-NSHDSACASA-N 1 2 238.335 1.713 20 0 BDADLO OCC[N@H+](CCC[C@@H]1CCOC1)CC(F)F ZINC000400588843 384504110 /nfs/dbraw/zinc/50/41/10/384504110.db2.gz XFEMVMXEUCMGGJ-SNVBAGLBSA-N 1 2 237.290 1.363 20 0 BDADLO OCC[N@@H+](CCC[C@@H]1CCOC1)CC(F)F ZINC000400588843 384504116 /nfs/dbraw/zinc/50/41/16/384504116.db2.gz XFEMVMXEUCMGGJ-SNVBAGLBSA-N 1 2 237.290 1.363 20 0 BDADLO COc1ccc(N[C@@H]2CO[C@H](C)C2)[nH+]c1 ZINC000402134902 384505363 /nfs/dbraw/zinc/50/53/63/384505363.db2.gz IIVIJZREDRINRS-BDAKNGLRSA-N 1 2 208.261 1.680 20 0 BDADLO CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000079601240 384506551 /nfs/dbraw/zinc/50/65/51/384506551.db2.gz XPFSGZKGPKMYMA-LLVKDONJSA-N 1 2 233.315 1.307 20 0 BDADLO c1cn(C2CCN(Cc3csnn3)CC2)c[nH+]1 ZINC000122579425 384491116 /nfs/dbraw/zinc/49/11/16/384491116.db2.gz SREVECHHPXVUPU-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000248752896 384520857 /nfs/dbraw/zinc/52/08/57/384520857.db2.gz OXQCVFGAGDRSCE-GXFFZTMASA-N 1 2 237.299 1.146 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000248752896 384520862 /nfs/dbraw/zinc/52/08/62/384520862.db2.gz OXQCVFGAGDRSCE-GXFFZTMASA-N 1 2 237.299 1.146 20 0 BDADLO COCc1cc(C(=O)Nc2cc[nH+]cc2C)no1 ZINC000080111738 384528496 /nfs/dbraw/zinc/52/84/96/384528496.db2.gz CPXRPPMXABJOIV-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540670 384533899 /nfs/dbraw/zinc/53/38/99/384533899.db2.gz WKVZXGUSWHAFFF-OUAUKWLOSA-N 1 2 227.304 1.191 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540670 384533907 /nfs/dbraw/zinc/53/39/07/384533907.db2.gz WKVZXGUSWHAFFF-OUAUKWLOSA-N 1 2 227.304 1.191 20 0 BDADLO CCOc1ccc(NCc2[nH]cc[nH+]2)cc1CO ZINC000049715592 384559766 /nfs/dbraw/zinc/55/97/66/384559766.db2.gz ZIJDUILGWYBKLK-UHFFFAOYSA-N 1 2 247.298 1.913 20 0 BDADLO COCC(C)(C)[NH2+]Cc1noc(C2CC2)n1 ZINC000171202938 384563420 /nfs/dbraw/zinc/56/34/20/384563420.db2.gz SMAOTNXNMXHGQU-UHFFFAOYSA-N 1 2 225.292 1.462 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1C ZINC000123493133 384561811 /nfs/dbraw/zinc/56/18/11/384561811.db2.gz KXKUXVWXRHDJRT-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1C ZINC000123493133 384561816 /nfs/dbraw/zinc/56/18/16/384561816.db2.gz KXKUXVWXRHDJRT-GFCCVEGCSA-N 1 2 232.327 1.624 20 0 BDADLO CC[C@H](C)OCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000533556888 384566749 /nfs/dbraw/zinc/56/67/49/384566749.db2.gz MGTHNGXYEMIGEL-JTQLQIEISA-N 1 2 237.303 1.082 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN(C)CC1(C)C ZINC000335331039 384608741 /nfs/dbraw/zinc/60/87/41/384608741.db2.gz SWXUEJMCOIQSCN-UHFFFAOYSA-N 1 2 237.347 1.817 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN(C)CC1(C)C ZINC000335331039 384608745 /nfs/dbraw/zinc/60/87/45/384608745.db2.gz SWXUEJMCOIQSCN-UHFFFAOYSA-N 1 2 237.347 1.817 20 0 BDADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccon1 ZINC000172653831 384614547 /nfs/dbraw/zinc/61/45/47/384614547.db2.gz KNSBRWJKJKHUPL-UHFFFAOYSA-N 1 2 240.303 1.838 20 0 BDADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccon1 ZINC000172653831 384614553 /nfs/dbraw/zinc/61/45/53/384614553.db2.gz KNSBRWJKJKHUPL-UHFFFAOYSA-N 1 2 240.303 1.838 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1CC1OCCO1 ZINC000172691277 384620560 /nfs/dbraw/zinc/62/05/60/384620560.db2.gz KYUNHTLFQKEDDK-SNVBAGLBSA-N 1 2 222.288 1.238 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1CC1OCCO1 ZINC000172691277 384620565 /nfs/dbraw/zinc/62/05/65/384620565.db2.gz KYUNHTLFQKEDDK-SNVBAGLBSA-N 1 2 222.288 1.238 20 0 BDADLO COC[C@H]([NH2+]C1CCCCC1)C(=O)OC ZINC000196841525 384629034 /nfs/dbraw/zinc/62/90/34/384629034.db2.gz NMGLKLDRROGNBA-JTQLQIEISA-N 1 2 215.293 1.097 20 0 BDADLO C[C@H]([NH2+]Cc1csnn1)c1cncc(F)c1 ZINC000309811538 384630529 /nfs/dbraw/zinc/63/05/29/384630529.db2.gz UIJSNTXPVQKDPS-ZETCQYMHSA-N 1 2 238.291 1.923 20 0 BDADLO NC(=O)[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000151553748 384592959 /nfs/dbraw/zinc/59/29/59/384592959.db2.gz PRDOQIOGUJZOJB-ZJUUUORDSA-N 1 2 246.314 1.420 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000098177277 384599753 /nfs/dbraw/zinc/59/97/53/384599753.db2.gz QUNRTFROYKUNTF-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO c1c[nH]c(C[N@H+]2CCc3ccccc3C2)n1 ZINC000098177277 384599757 /nfs/dbraw/zinc/59/97/57/384599757.db2.gz QUNRTFROYKUNTF-UHFFFAOYSA-N 1 2 213.284 1.968 20 0 BDADLO COC[C@H]1C[N@H+](Cc2c(C)noc2C)CCO1 ZINC000172892292 384634257 /nfs/dbraw/zinc/63/42/57/384634257.db2.gz DSZWRDAGGLDSAD-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2c(C)noc2C)CCO1 ZINC000172892292 384634264 /nfs/dbraw/zinc/63/42/64/384634264.db2.gz DSZWRDAGGLDSAD-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO CCCOc1ccc(N2C(=O)C[C@H]([NH3+])C2=O)cc1 ZINC000516660213 384635812 /nfs/dbraw/zinc/63/58/12/384635812.db2.gz QVBKKLPHGVZZEZ-NSHDSACASA-N 1 2 248.282 1.066 20 0 BDADLO CCSCCC[NH2+][C@H](CC)C(=O)OC ZINC000300892402 384636983 /nfs/dbraw/zinc/63/69/83/384636983.db2.gz HTCNGHWMGGCENX-SECBINFHSA-N 1 2 219.350 1.671 20 0 BDADLO CCN(C(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000162531151 384638931 /nfs/dbraw/zinc/63/89/31/384638931.db2.gz UYBDPVCLILBMHU-UHFFFAOYSA-N 1 2 238.335 1.702 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccn(C)c2)n1 ZINC000309820942 384640905 /nfs/dbraw/zinc/64/09/05/384640905.db2.gz WHQZDRAPFKRTDL-MRVPVSSYSA-N 1 2 220.276 1.567 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCCC2(CC2)C1 ZINC000184832120 384652877 /nfs/dbraw/zinc/65/28/77/384652877.db2.gz NQJCITNNPAPDOC-UHFFFAOYSA-N 1 2 243.314 1.744 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000125503332 384723539 /nfs/dbraw/zinc/72/35/39/384723539.db2.gz SDIGNUFCFFCSNJ-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000125503332 384723543 /nfs/dbraw/zinc/72/35/43/384723543.db2.gz SDIGNUFCFFCSNJ-LBPRGKRZSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000125517170 384725167 /nfs/dbraw/zinc/72/51/67/384725167.db2.gz ROYASNSDZHKLOP-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000125517170 384725175 /nfs/dbraw/zinc/72/51/75/384725175.db2.gz ROYASNSDZHKLOP-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000556957260 384682272 /nfs/dbraw/zinc/68/22/72/384682272.db2.gz KFJRTJISMABIEV-GWCFXTLKSA-N 1 2 236.290 1.431 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000556957260 384682283 /nfs/dbraw/zinc/68/22/83/384682283.db2.gz KFJRTJISMABIEV-GWCFXTLKSA-N 1 2 236.290 1.431 20 0 BDADLO Nc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000086766352 384683516 /nfs/dbraw/zinc/68/35/16/384683516.db2.gz XCPTXEKCRBVKEY-OCAPTIKFSA-N 1 2 225.317 1.089 20 0 BDADLO Nc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000086766352 384683520 /nfs/dbraw/zinc/68/35/20/384683520.db2.gz XCPTXEKCRBVKEY-OCAPTIKFSA-N 1 2 225.317 1.089 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000037956972 384683962 /nfs/dbraw/zinc/68/39/62/384683962.db2.gz PDBNMEZVCHWBQW-CMPLNLGQSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCc1ccncc1 ZINC000049949592 384685593 /nfs/dbraw/zinc/68/55/93/384685593.db2.gz ZYBOPYSRALXKFB-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCc1ccncc1 ZINC000049949592 384685600 /nfs/dbraw/zinc/68/56/00/384685600.db2.gz ZYBOPYSRALXKFB-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO CCC[C@](C)([NH2+]CCCCO)C(=O)OC ZINC000309227374 384686441 /nfs/dbraw/zinc/68/64/41/384686441.db2.gz WFMBJSLCLCTUQA-NSHDSACASA-N 1 2 217.309 1.080 20 0 BDADLO CCCc1nc(C[N@H+](C)C[C@@H](C)O)cs1 ZINC000051838933 384691938 /nfs/dbraw/zinc/69/19/38/384691938.db2.gz SZBLNMWHRVEFRR-SECBINFHSA-N 1 2 228.361 1.908 20 0 BDADLO CCCc1nc(C[N@@H+](C)C[C@@H](C)O)cs1 ZINC000051838933 384691947 /nfs/dbraw/zinc/69/19/47/384691947.db2.gz SZBLNMWHRVEFRR-SECBINFHSA-N 1 2 228.361 1.908 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn(C)nc1C)c1ccco1 ZINC000163043411 384726929 /nfs/dbraw/zinc/72/69/29/384726929.db2.gz UUSLSQANKIFRCY-GFCCVEGCSA-N 1 2 249.314 1.799 20 0 BDADLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1cccnc1 ZINC000185278910 384698677 /nfs/dbraw/zinc/69/86/77/384698677.db2.gz BYRGEZAWMUNPOT-VIFPVBQESA-N 1 2 247.302 1.381 20 0 BDADLO CN(C)c1ccc(NCc2nccn2C)c[nH+]1 ZINC000051922085 384704964 /nfs/dbraw/zinc/70/49/64/384704964.db2.gz XLOSPJUTGPOQKN-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO COc1ncccc1NCc1[nH+]ccn1C ZINC000051922557 384705589 /nfs/dbraw/zinc/70/55/89/384705589.db2.gz KIBLEGJNNYBJPT-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccon2)C1=O ZINC000643680290 384716340 /nfs/dbraw/zinc/71/63/40/384716340.db2.gz JJVJKNIEJSWODE-JTQLQIEISA-N 1 2 237.303 1.164 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[C@@H]1C(C)C)CC2 ZINC000363704601 384718038 /nfs/dbraw/zinc/71/80/38/384718038.db2.gz VIZBXXKZDICEBD-VXGBXAGGSA-N 1 2 247.342 1.826 20 0 BDADLO CCN(CC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363706912 384718542 /nfs/dbraw/zinc/71/85/42/384718542.db2.gz IJJVSGQYMDXEIM-UHFFFAOYSA-N 1 2 236.319 1.469 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2C)CCO1 ZINC000125584268 384731620 /nfs/dbraw/zinc/73/16/20/384731620.db2.gz PQUNQTXKRMFGKN-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2C)CCO1 ZINC000125584268 384731627 /nfs/dbraw/zinc/73/16/27/384731627.db2.gz PQUNQTXKRMFGKN-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CCc1cc(N)nc(SC[C@H](C)C(C)=O)[nH+]1 ZINC000279012691 384732791 /nfs/dbraw/zinc/73/27/91/384732791.db2.gz AOVSXLGIVSRWLV-ZETCQYMHSA-N 1 2 239.344 1.938 20 0 BDADLO C[C@H]1C[C@@H](O)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000334813795 384732959 /nfs/dbraw/zinc/73/29/59/384732959.db2.gz XLPNPYCABOOZAK-WDEREUQCSA-N 1 2 245.326 1.780 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000185521649 384734258 /nfs/dbraw/zinc/73/42/58/384734258.db2.gz YIJOSEVCUPDTJO-WCQYABFASA-N 1 2 235.331 1.682 20 0 BDADLO O=C(C1CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000052584968 384734934 /nfs/dbraw/zinc/73/49/34/384734934.db2.gz PSDCBDYZJQORJO-UHFFFAOYSA-N 1 2 245.326 1.136 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000044478790 384738124 /nfs/dbraw/zinc/73/81/24/384738124.db2.gz HEMCUXKHWDPZLF-IUCAKERBSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000044478790 384738128 /nfs/dbraw/zinc/73/81/28/384738128.db2.gz HEMCUXKHWDPZLF-IUCAKERBSA-N 1 2 215.293 1.047 20 0 BDADLO Cc1occc1C[N@H+](C)CCCS(C)(=O)=O ZINC000103141380 384751975 /nfs/dbraw/zinc/75/19/75/384751975.db2.gz BUYICINXXDBYPO-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO Cc1occc1C[N@@H+](C)CCCS(C)(=O)=O ZINC000103141380 384751979 /nfs/dbraw/zinc/75/19/79/384751979.db2.gz BUYICINXXDBYPO-UHFFFAOYSA-N 1 2 245.344 1.455 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](CCC(F)(F)F)[C@H]12 ZINC000363732397 384753963 /nfs/dbraw/zinc/75/39/63/384753963.db2.gz CMKNLRVKHVAODF-YUMQZZPRSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](CCC(F)(F)F)[C@H]12 ZINC000363732397 384753973 /nfs/dbraw/zinc/75/39/73/384753973.db2.gz CMKNLRVKHVAODF-YUMQZZPRSA-N 1 2 237.221 1.576 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000647551809 384755143 /nfs/dbraw/zinc/75/51/43/384755143.db2.gz NIYBAEDCQFQROW-ZDUSSCGKSA-N 1 2 247.342 1.495 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cn1 ZINC000647551809 384755149 /nfs/dbraw/zinc/75/51/49/384755149.db2.gz NIYBAEDCQFQROW-ZDUSSCGKSA-N 1 2 247.342 1.495 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000103228930 384756154 /nfs/dbraw/zinc/75/61/54/384756154.db2.gz OPXNHLITEKQCQK-UHFFFAOYSA-N 1 2 237.299 1.608 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000103228930 384756167 /nfs/dbraw/zinc/75/61/67/384756167.db2.gz OPXNHLITEKQCQK-UHFFFAOYSA-N 1 2 237.299 1.608 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1nccs1 ZINC000126689862 384823706 /nfs/dbraw/zinc/82/37/06/384823706.db2.gz QKIVPFQOVRIGLV-RTHLEPHNSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1nccs1 ZINC000126689862 384823709 /nfs/dbraw/zinc/82/37/09/384823709.db2.gz QKIVPFQOVRIGLV-RTHLEPHNSA-N 1 2 232.374 1.342 20 0 BDADLO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccon1 ZINC000309781859 384828518 /nfs/dbraw/zinc/82/85/18/384828518.db2.gz NBPRGEIZZAYJCN-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCNC(=O)C1(C)C ZINC000104072821 384797650 /nfs/dbraw/zinc/79/76/50/384797650.db2.gz QGOQWGZSQMKICB-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCNC(=O)C1(C)C ZINC000104072821 384797659 /nfs/dbraw/zinc/79/76/59/384797659.db2.gz QGOQWGZSQMKICB-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO CC/C=C\CC[NH2+][C@](C)(COC)C(=O)OC ZINC000310037508 384802000 /nfs/dbraw/zinc/80/20/00/384802000.db2.gz VETGPVXPTOFDRB-ZHRWSRJISA-N 1 2 229.320 1.510 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H]2CCCCNC2=O)no1 ZINC000105609369 384877606 /nfs/dbraw/zinc/87/76/06/384877606.db2.gz FOSCMVOEYUZIDZ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H]2CCCCNC2=O)no1 ZINC000105609369 384877614 /nfs/dbraw/zinc/87/76/14/384877614.db2.gz FOSCMVOEYUZIDZ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000644454427 384885020 /nfs/dbraw/zinc/88/50/20/384885020.db2.gz VNXMBIXSSWCCTC-HTQZYQBOSA-N 1 2 238.253 1.538 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(F)(F)F ZINC000644454427 384885023 /nfs/dbraw/zinc/88/50/23/384885023.db2.gz VNXMBIXSSWCCTC-HTQZYQBOSA-N 1 2 238.253 1.538 20 0 BDADLO COCc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127343750 384887318 /nfs/dbraw/zinc/88/73/18/384887318.db2.gz WGIYNUNCLXVYPF-UHFFFAOYSA-N 1 2 248.326 1.107 20 0 BDADLO COCc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127343750 384887324 /nfs/dbraw/zinc/88/73/24/384887324.db2.gz WGIYNUNCLXVYPF-UHFFFAOYSA-N 1 2 248.326 1.107 20 0 BDADLO CCC[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112333680 384852958 /nfs/dbraw/zinc/85/29/58/384852958.db2.gz WMGRBBOLPOOANN-JTQLQIEISA-N 1 2 221.304 1.927 20 0 BDADLO CC[N@H+](C)Cc1c(Br)c(C)nn1C ZINC000084270549 384856394 /nfs/dbraw/zinc/85/63/94/384856394.db2.gz QVBLWKPDITZUMU-UHFFFAOYSA-N 1 2 246.152 1.943 20 0 BDADLO CC[N@@H+](C)Cc1c(Br)c(C)nn1C ZINC000084270549 384856398 /nfs/dbraw/zinc/85/63/98/384856398.db2.gz QVBLWKPDITZUMU-UHFFFAOYSA-N 1 2 246.152 1.943 20 0 BDADLO CN(Cc1nccs1)Cc1[nH+]ccn1C ZINC000175048552 384862512 /nfs/dbraw/zinc/86/25/12/384862512.db2.gz RMLLYKODOOBXFO-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CCCC[N@H+](CCOC)Cc1ncnn1C ZINC000177157022 384893732 /nfs/dbraw/zinc/89/37/32/384893732.db2.gz FYQUUOQHHAJKOJ-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO CCCC[N@@H+](CCOC)Cc1ncnn1C ZINC000177157022 384893737 /nfs/dbraw/zinc/89/37/37/384893737.db2.gz FYQUUOQHHAJKOJ-UHFFFAOYSA-N 1 2 226.324 1.064 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC(C)(C)C)[nH+]1 ZINC000518282207 384899192 /nfs/dbraw/zinc/89/91/92/384899192.db2.gz YCUZMINEUASACS-UHFFFAOYSA-N 1 2 237.351 1.516 20 0 BDADLO Cc1nc(NCCC(C)(C)C)nc(N(C)C)[nH+]1 ZINC000518282207 384899201 /nfs/dbraw/zinc/89/92/01/384899201.db2.gz YCUZMINEUASACS-UHFFFAOYSA-N 1 2 237.351 1.516 20 0 BDADLO Cc1cc(C)c(C(=O)NCCn2cc[nH+]c2)o1 ZINC000175364256 384900193 /nfs/dbraw/zinc/90/01/93/384900193.db2.gz TTYFKMJLXKQTBB-UHFFFAOYSA-N 1 2 233.271 1.523 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cscn1 ZINC000127829842 384918597 /nfs/dbraw/zinc/91/85/97/384918597.db2.gz ONZFXFHOXIWDJW-CAHLUQPWSA-N 1 2 240.250 1.717 20 0 BDADLO CCCc1nc(C[N@H+](C)C[C@H](C)O)cs1 ZINC000051838935 384924783 /nfs/dbraw/zinc/92/47/83/384924783.db2.gz SZBLNMWHRVEFRR-VIFPVBQESA-N 1 2 228.361 1.908 20 0 BDADLO CCCc1nc(C[N@@H+](C)C[C@H](C)O)cs1 ZINC000051838935 384924787 /nfs/dbraw/zinc/92/47/87/384924787.db2.gz SZBLNMWHRVEFRR-VIFPVBQESA-N 1 2 228.361 1.908 20 0 BDADLO COC(=O)[C@H](CC(F)(F)F)[NH2+]C[C@H]1C[C@@H]1C ZINC000309957335 384948028 /nfs/dbraw/zinc/94/80/28/384948028.db2.gz JAKARTZWHFRCPQ-RNJXMRFFSA-N 1 2 239.237 1.726 20 0 BDADLO C[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)[C@@H]1C ZINC000291853408 384974018 /nfs/dbraw/zinc/97/40/18/384974018.db2.gz JTPSBRSGFBBOHZ-NXEZZACHSA-N 1 2 236.319 1.360 20 0 BDADLO C[C@@H]1C[C@H]1Nc1cccc(-n2cc[nH+]c2)n1 ZINC000370747334 384975994 /nfs/dbraw/zinc/97/59/94/384975994.db2.gz NBRQUJOFVLOCJK-NXEZZACHSA-N 1 2 214.272 1.510 20 0 BDADLO Fc1ccc(CNc2cc[nH+]c(C3CC3)n2)nc1 ZINC000357157234 384983986 /nfs/dbraw/zinc/98/39/86/384983986.db2.gz SHVINEBIZKQTTF-UHFFFAOYSA-N 1 2 244.273 1.922 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000156856851 384994135 /nfs/dbraw/zinc/99/41/35/384994135.db2.gz OLDXHNGXFKWHSV-QMMMGPOBSA-N 1 2 248.252 1.904 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC000156856851 384994137 /nfs/dbraw/zinc/99/41/37/384994137.db2.gz OLDXHNGXFKWHSV-QMMMGPOBSA-N 1 2 248.252 1.904 20 0 BDADLO CC[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000156866095 384996181 /nfs/dbraw/zinc/99/61/81/384996181.db2.gz QERYUYQMOBAUFM-NSHDSACASA-N 1 2 217.272 1.716 20 0 BDADLO Nc1[nH+]cnc(NCC2(CO)CCC2)c1Cl ZINC000302862550 385010884 /nfs/dbraw/zinc/01/08/84/385010884.db2.gz WFCHXLHSPINISK-UHFFFAOYSA-N 1 2 242.710 1.287 20 0 BDADLO Nc1nc[nH+]c(NCC2(CO)CCC2)c1Cl ZINC000302862550 385010894 /nfs/dbraw/zinc/01/08/94/385010894.db2.gz WFCHXLHSPINISK-UHFFFAOYSA-N 1 2 242.710 1.287 20 0 BDADLO Cc1ccc(NC(=O)NC2CC2)c(C)[nH+]1 ZINC000130115382 385023172 /nfs/dbraw/zinc/02/31/72/385023172.db2.gz ZXXYPXRGXRNBCU-UHFFFAOYSA-N 1 2 205.261 1.982 20 0 BDADLO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000165081140 385065522 /nfs/dbraw/zinc/06/55/22/385065522.db2.gz FTBPPVZDSSVYJJ-JQWIXIFHSA-N 1 2 223.320 1.703 20 0 BDADLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCO ZINC000368406173 385073657 /nfs/dbraw/zinc/07/36/57/385073657.db2.gz ZNHLXERMRNUJEV-NSHDSACASA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCO ZINC000368406173 385073666 /nfs/dbraw/zinc/07/36/66/385073666.db2.gz ZNHLXERMRNUJEV-NSHDSACASA-N 1 2 238.335 1.063 20 0 BDADLO COC(=O)[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000060385042 385083189 /nfs/dbraw/zinc/08/31/89/385083189.db2.gz BUDVIDQFEUFALE-QMMMGPOBSA-N 1 2 236.296 1.988 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+](C)C[C@@H]1CCCO1 ZINC000568763094 385036420 /nfs/dbraw/zinc/03/64/20/385036420.db2.gz DGTKEEAQYMOMNB-ZJUUUORDSA-N 1 2 236.319 1.061 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000568763094 385036425 /nfs/dbraw/zinc/03/64/25/385036425.db2.gz DGTKEEAQYMOMNB-ZJUUUORDSA-N 1 2 236.319 1.061 20 0 BDADLO C[C@@H]1[NH2+]CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@H]1C ZINC000262715817 385041149 /nfs/dbraw/zinc/04/11/49/385041149.db2.gz DNYBDRWLPNBIFR-IUCAKERBSA-N 1 2 248.330 1.110 20 0 BDADLO Cc1coc(SCCC[NH+]2CCOCC2)n1 ZINC000188348139 385042393 /nfs/dbraw/zinc/04/23/93/385042393.db2.gz UBQUKFBUDHIYIR-UHFFFAOYSA-N 1 2 242.344 1.797 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CCC3)CC2)n[nH]1 ZINC000644692427 385110487 /nfs/dbraw/zinc/11/04/87/385110487.db2.gz FKRFRUUFGMUFCK-UHFFFAOYSA-N 1 2 220.320 1.879 20 0 BDADLO Cc1nc(N[C@H]2CC=CCC2)nc(N)[nH+]1 ZINC000308793252 385116387 /nfs/dbraw/zinc/11/63/87/385116387.db2.gz DNKJMLKUCVBEIU-QMMMGPOBSA-N 1 2 205.265 1.283 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CC=CCC2)[nH+]1 ZINC000308793252 385116394 /nfs/dbraw/zinc/11/63/94/385116394.db2.gz DNKJMLKUCVBEIU-QMMMGPOBSA-N 1 2 205.265 1.283 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1cccs1 ZINC000061512780 385119257 /nfs/dbraw/zinc/11/92/57/385119257.db2.gz VVRBAUASZAGJHN-UHFFFAOYSA-N 1 2 249.339 1.683 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc[nH]1 ZINC000491953631 385120972 /nfs/dbraw/zinc/12/09/72/385120972.db2.gz KNPOYZPIQHPLPP-WYGGZMRJSA-N 1 2 244.298 1.429 20 0 BDADLO CCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000189066501 385121699 /nfs/dbraw/zinc/12/16/99/385121699.db2.gz CEDMRTZNZWNGQK-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO CCc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000189066501 385121705 /nfs/dbraw/zinc/12/17/05/385121705.db2.gz CEDMRTZNZWNGQK-NSHDSACASA-N 1 2 232.327 1.569 20 0 BDADLO CC(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)nc1 ZINC000354439187 385128623 /nfs/dbraw/zinc/12/86/23/385128623.db2.gz BAMJXYDPZDCNHE-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CC(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)nc1 ZINC000354439187 385128628 /nfs/dbraw/zinc/12/86/28/385128628.db2.gz BAMJXYDPZDCNHE-UHFFFAOYSA-N 1 2 244.298 1.858 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1ncnn1CC(C)C ZINC000345834650 385133272 /nfs/dbraw/zinc/13/32/72/385133272.db2.gz MGQNMFBIJMSXGM-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1ncnn1CC(C)C ZINC000345834650 385133279 /nfs/dbraw/zinc/13/32/79/385133279.db2.gz MGQNMFBIJMSXGM-NSHDSACASA-N 1 2 240.351 1.137 20 0 BDADLO CCC(CC)[S@@](=O)Cc1[nH+]ccn1C ZINC000129298981 385136765 /nfs/dbraw/zinc/13/67/65/385136765.db2.gz XKZTYSCWNNNSTD-CQSZACIVSA-N 1 2 214.334 1.857 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000061800181 385138128 /nfs/dbraw/zinc/13/81/28/385138128.db2.gz BEDQTWUBXWWDGW-UHFFFAOYSA-N 1 2 212.318 1.268 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000061800181 385138139 /nfs/dbraw/zinc/13/81/39/385138139.db2.gz BEDQTWUBXWWDGW-UHFFFAOYSA-N 1 2 212.318 1.268 20 0 BDADLO CC[NH+]1CCN(Cc2cc(C(C)=O)no2)CC1 ZINC000559637538 385091137 /nfs/dbraw/zinc/09/11/37/385091137.db2.gz LLAMVPLUCMTZHN-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1COCC1(C)C ZINC000313000045 385095043 /nfs/dbraw/zinc/09/50/43/385095043.db2.gz WYRFFWHOJUBUQJ-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)ncn1 ZINC000644682195 385095469 /nfs/dbraw/zinc/09/54/69/385095469.db2.gz ODNWVUKVWYOXOZ-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)ncn1 ZINC000644682195 385095472 /nfs/dbraw/zinc/09/54/72/385095472.db2.gz ODNWVUKVWYOXOZ-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1nnc(C[NH2+][C@H](CO)c2ccccc2C)[nH]1 ZINC000644682262 385096314 /nfs/dbraw/zinc/09/63/14/385096314.db2.gz JUCATBAFTPCGLE-GFCCVEGCSA-N 1 2 246.314 1.245 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccon1 ZINC000644781015 385097414 /nfs/dbraw/zinc/09/74/14/385097414.db2.gz VNVRYZJRPPDEQZ-UHFFFAOYSA-N 1 2 249.270 1.068 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccon1 ZINC000644781015 385097423 /nfs/dbraw/zinc/09/74/23/385097423.db2.gz VNVRYZJRPPDEQZ-UHFFFAOYSA-N 1 2 249.270 1.068 20 0 BDADLO CC[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000292016406 385106850 /nfs/dbraw/zinc/10/68/50/385106850.db2.gz OVPYGKKJBXZWCD-JTQLQIEISA-N 1 2 236.319 1.362 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000152545060 385191921 /nfs/dbraw/zinc/19/19/21/385191921.db2.gz YOWJAONRSQRDHL-NSHDSACASA-N 1 2 237.328 1.603 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CCOC1)c1[nH]cc[nH+]1 ZINC000516663193 385149537 /nfs/dbraw/zinc/14/95/37/385149537.db2.gz HFRMDMBAAMNYAA-LDYMZIIASA-N 1 2 223.276 1.014 20 0 BDADLO CO[C@@H](C)C[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000304519712 385149880 /nfs/dbraw/zinc/14/98/80/385149880.db2.gz ACWBQCSNZLIUNX-JTQLQIEISA-N 1 2 238.331 1.781 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000304519712 385149883 /nfs/dbraw/zinc/14/98/83/385149883.db2.gz ACWBQCSNZLIUNX-JTQLQIEISA-N 1 2 238.331 1.781 20 0 BDADLO COc1cc(C[NH2+]Cc2csnn2)ccn1 ZINC000062058030 385155529 /nfs/dbraw/zinc/15/55/29/385155529.db2.gz FOGWYBFVAWUTKD-UHFFFAOYSA-N 1 2 236.300 1.232 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cccc(O)c1 ZINC000190034218 385207223 /nfs/dbraw/zinc/20/72/23/385207223.db2.gz HHQRYAVNSYOUBR-AWEZNQCLSA-N 1 2 247.294 1.674 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cccc(O)c1 ZINC000190034218 385207228 /nfs/dbraw/zinc/20/72/28/385207228.db2.gz HHQRYAVNSYOUBR-AWEZNQCLSA-N 1 2 247.294 1.674 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)CC1(CO)CC1 ZINC000190037690 385207764 /nfs/dbraw/zinc/20/77/64/385207764.db2.gz OIDKTRZOAMMTKP-UHFFFAOYSA-N 1 2 245.273 1.483 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)CC1(CO)CC1 ZINC000190037690 385207772 /nfs/dbraw/zinc/20/77/72/385207772.db2.gz OIDKTRZOAMMTKP-UHFFFAOYSA-N 1 2 245.273 1.483 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000308857765 385220405 /nfs/dbraw/zinc/22/04/05/385220405.db2.gz UKBWIXGYJDVCOE-RITPCOANSA-N 1 2 230.699 1.548 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000308857765 385220410 /nfs/dbraw/zinc/22/04/10/385220410.db2.gz UKBWIXGYJDVCOE-RITPCOANSA-N 1 2 230.699 1.548 20 0 BDADLO COc1cc(NC(=O)Cn2cc[nH+]c2)ccc1O ZINC000360545600 385243622 /nfs/dbraw/zinc/24/36/22/385243622.db2.gz LVRHAPHLLRZWDM-UHFFFAOYSA-N 1 2 247.254 1.236 20 0 BDADLO Cc1cc(NC(=O)C2CC(F)(F)C2)cc[nH+]1 ZINC000335777345 385246539 /nfs/dbraw/zinc/24/65/39/385246539.db2.gz LXPNVMNBFNMNJN-UHFFFAOYSA-N 1 2 226.226 1.796 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)OCC ZINC000037957761 385324121 /nfs/dbraw/zinc/32/41/21/385324121.db2.gz VJMACQHYRGAGJJ-WDEREUQCSA-N 1 2 229.320 1.487 20 0 BDADLO COC(=O)[C@H](C)[N@H+](Cc1cccnc1)C1CCC1 ZINC000191653077 385312968 /nfs/dbraw/zinc/31/29/68/385312968.db2.gz JMUWEZBBYQZURB-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](Cc1cccnc1)C1CCC1 ZINC000191653077 385312972 /nfs/dbraw/zinc/31/29/72/385312972.db2.gz JMUWEZBBYQZURB-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000177989688 385314202 /nfs/dbraw/zinc/31/42/02/385314202.db2.gz NRZHHLOYECHXCS-SNVBAGLBSA-N 1 2 231.246 1.235 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000177989688 385314204 /nfs/dbraw/zinc/31/42/04/385314204.db2.gz NRZHHLOYECHXCS-SNVBAGLBSA-N 1 2 231.246 1.235 20 0 BDADLO CCc1cc(N[C@@H](C)c2nc[nH]n2)nc(C)[nH+]1 ZINC000227867242 385271577 /nfs/dbraw/zinc/27/15/77/385271577.db2.gz HMAANVJVLHITEU-ZETCQYMHSA-N 1 2 232.291 1.639 20 0 BDADLO CCc1cc(N[C@@H](C)c2nnc[nH]2)nc(C)[nH+]1 ZINC000227867242 385271580 /nfs/dbraw/zinc/27/15/80/385271580.db2.gz HMAANVJVLHITEU-ZETCQYMHSA-N 1 2 232.291 1.639 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000130636284 385271995 /nfs/dbraw/zinc/27/19/95/385271995.db2.gz YEDGPDDAUNOLPQ-SNVBAGLBSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CCSC1 ZINC000130636284 385272003 /nfs/dbraw/zinc/27/20/03/385272003.db2.gz YEDGPDDAUNOLPQ-SNVBAGLBSA-N 1 2 211.334 1.655 20 0 BDADLO C[C@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000120193231 385272743 /nfs/dbraw/zinc/27/27/43/385272743.db2.gz IBVSJMWRTUDRTC-QMMMGPOBSA-N 1 2 222.292 1.091 20 0 BDADLO C[C@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000120193231 385272750 /nfs/dbraw/zinc/27/27/50/385272750.db2.gz IBVSJMWRTUDRTC-QMMMGPOBSA-N 1 2 222.292 1.091 20 0 BDADLO CCN(CC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177728576 385277221 /nfs/dbraw/zinc/27/72/21/385277221.db2.gz ADSYFWJFTWMZJH-UHFFFAOYSA-N 1 2 246.314 1.886 20 0 BDADLO CC[C@H](O)CCCNc1cc[nH+]c(C)n1 ZINC000308908126 385283813 /nfs/dbraw/zinc/28/38/13/385283813.db2.gz CZRPPMNBPXRXKH-JTQLQIEISA-N 1 2 209.293 1.748 20 0 BDADLO c1ccc(N2CCOC3(CCOCC3)CC2)[nH+]c1 ZINC000364241980 385285783 /nfs/dbraw/zinc/28/57/83/385285783.db2.gz PHIDEKQJADSPEG-UHFFFAOYSA-N 1 2 248.326 1.858 20 0 BDADLO CSCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC000178512733 385293870 /nfs/dbraw/zinc/29/38/70/385293870.db2.gz ROUFYISBRSSBIP-UHFFFAOYSA-N 1 2 229.349 1.988 20 0 BDADLO CSCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000178512733 385293875 /nfs/dbraw/zinc/29/38/75/385293875.db2.gz ROUFYISBRSSBIP-UHFFFAOYSA-N 1 2 229.349 1.988 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC(C)(C)C1 ZINC000292234219 385294748 /nfs/dbraw/zinc/29/47/48/385294748.db2.gz FWEDQLBUBPGJAV-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2ccon2)C[C@H]1C ZINC000191865440 385329920 /nfs/dbraw/zinc/32/99/20/385329920.db2.gz HOVSWVXWINBYRD-KOLCDFICSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2ccon2)C[C@H]1C ZINC000191865440 385329925 /nfs/dbraw/zinc/32/99/25/385329925.db2.gz HOVSWVXWINBYRD-KOLCDFICSA-N 1 2 238.287 1.306 20 0 BDADLO CCC[C@](C)([NH2+]CCOC(C)C)C(=O)OC ZINC000109803579 385339373 /nfs/dbraw/zinc/33/93/73/385339373.db2.gz PNOFTMAVMNQUQL-LBPRGKRZSA-N 1 2 231.336 1.733 20 0 BDADLO CCC[C@@](C)([NH2+]CCOC(C)C)C(=O)OC ZINC000109803583 385340039 /nfs/dbraw/zinc/34/00/39/385340039.db2.gz PNOFTMAVMNQUQL-GFCCVEGCSA-N 1 2 231.336 1.733 20 0 BDADLO C[N@H+](CC(F)F)C[C@@H](O)CC(F)(F)F ZINC000307940869 385351088 /nfs/dbraw/zinc/35/10/88/385351088.db2.gz XOCDWSRZRMRBIM-YFKPBYRVSA-N 1 2 221.169 1.497 20 0 BDADLO C[N@@H+](CC(F)F)C[C@@H](O)CC(F)(F)F ZINC000307940869 385351091 /nfs/dbraw/zinc/35/10/91/385351091.db2.gz XOCDWSRZRMRBIM-YFKPBYRVSA-N 1 2 221.169 1.497 20 0 BDADLO C[C@H](CCO)CCNc1nc[nH+]c(N)c1Cl ZINC000295003353 385371481 /nfs/dbraw/zinc/37/14/81/385371481.db2.gz RZLWKMWGQZXHSA-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO C[C@H](CCO)CCNc1[nH+]cnc(N)c1Cl ZINC000295003353 385371486 /nfs/dbraw/zinc/37/14/86/385371486.db2.gz RZLWKMWGQZXHSA-ZETCQYMHSA-N 1 2 244.726 1.533 20 0 BDADLO C[N@H+](CCO)Cc1nnc(-c2ccccc2)s1 ZINC000155103256 385375476 /nfs/dbraw/zinc/37/54/76/385375476.db2.gz HMIRTZANFYUATO-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO C[N@@H+](CCO)Cc1nnc(-c2ccccc2)s1 ZINC000155103256 385375479 /nfs/dbraw/zinc/37/54/79/385375479.db2.gz HMIRTZANFYUATO-UHFFFAOYSA-N 1 2 249.339 1.629 20 0 BDADLO CSCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000155148863 385377630 /nfs/dbraw/zinc/37/76/30/385377630.db2.gz KAQYHZUIDUVZOM-UHFFFAOYSA-N 1 2 241.360 1.485 20 0 BDADLO CCOCC[NH2+]C(CC)(CC)C(=O)OC ZINC000309031910 385379374 /nfs/dbraw/zinc/37/93/74/385379374.db2.gz FIIZCDLKGDPYGQ-UHFFFAOYSA-N 1 2 217.309 1.344 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)CCCCO ZINC000179877556 385383382 /nfs/dbraw/zinc/38/33/82/385383382.db2.gz WFIRRLNFVFBWLS-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)CCCCO ZINC000179877556 385383384 /nfs/dbraw/zinc/38/33/84/385383384.db2.gz WFIRRLNFVFBWLS-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CCSCC[NH2+][C@@H](CC(F)F)C(=O)OC ZINC000336765074 385394836 /nfs/dbraw/zinc/39/48/36/385394836.db2.gz QMFXCBDJGHDPGC-ZETCQYMHSA-N 1 2 241.303 1.526 20 0 BDADLO c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)nc1 ZINC000193709456 385409720 /nfs/dbraw/zinc/40/97/20/385409720.db2.gz WTVPEQXSEDNUQT-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO c1ccc(C[N@H+]2CCOC[C@]23CCOC3)nc1 ZINC000193709456 385409723 /nfs/dbraw/zinc/40/97/23/385409723.db2.gz WTVPEQXSEDNUQT-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)CO1 ZINC000492821883 385441543 /nfs/dbraw/zinc/44/15/43/385441543.db2.gz FVDSWRIKSZAULG-RWCMCFKCSA-N 1 2 235.287 1.059 20 0 BDADLO CC[C@H]([NH2+]CC1(C(F)F)CC1)C(=O)OC ZINC000309167509 385446857 /nfs/dbraw/zinc/44/68/57/385446857.db2.gz JSZJEPLMBGKJSU-ZETCQYMHSA-N 1 2 221.247 1.573 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCCO1 ZINC000170956986 385458011 /nfs/dbraw/zinc/45/80/11/385458011.db2.gz IQBRZJPBRGLYGX-SNVBAGLBSA-N 1 2 220.272 1.898 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000194759903 385447820 /nfs/dbraw/zinc/44/78/20/385447820.db2.gz GOJNAYQTXHTUBZ-CYBMUJFWSA-N 1 2 247.298 1.265 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@]23CCOC3=O)cn1 ZINC000194759903 385447823 /nfs/dbraw/zinc/44/78/23/385447823.db2.gz GOJNAYQTXHTUBZ-CYBMUJFWSA-N 1 2 247.298 1.265 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000194759889 385447897 /nfs/dbraw/zinc/44/78/97/385447897.db2.gz GOJNAYQTXHTUBZ-ZDUSSCGKSA-N 1 2 247.298 1.265 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@@]23CCOC3=O)cn1 ZINC000194759889 385447901 /nfs/dbraw/zinc/44/79/01/385447901.db2.gz GOJNAYQTXHTUBZ-ZDUSSCGKSA-N 1 2 247.298 1.265 20 0 BDADLO Cc1cncc(C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000364449830 385449599 /nfs/dbraw/zinc/44/95/99/385449599.db2.gz XEPMJEMGELXHMI-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1cncc(C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000364449830 385449601 /nfs/dbraw/zinc/44/96/01/385449601.db2.gz XEPMJEMGELXHMI-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000170956519 385458569 /nfs/dbraw/zinc/45/85/69/385458569.db2.gz MSIRCJLRXWIKGS-MWLCHTKSSA-N 1 2 220.272 1.754 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000155991114 385427387 /nfs/dbraw/zinc/42/73/87/385427387.db2.gz JBYNOIXZSLWXTA-VHSXEESVSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000155991114 385427388 /nfs/dbraw/zinc/42/73/88/385427388.db2.gz JBYNOIXZSLWXTA-VHSXEESVSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1nc([C@@H](C)NCC[NH+]2CCC2)cs1 ZINC000309121474 385427926 /nfs/dbraw/zinc/42/79/26/385427926.db2.gz NZUJXXZXMBXVRK-SECBINFHSA-N 1 2 225.361 1.808 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccccn1 ZINC000156067891 385433768 /nfs/dbraw/zinc/43/37/68/385433768.db2.gz CBPNBLFQRUZJNM-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccccn1 ZINC000156067891 385433769 /nfs/dbraw/zinc/43/37/69/385433769.db2.gz CBPNBLFQRUZJNM-MNOVXSKESA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H](O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000114710045 385436408 /nfs/dbraw/zinc/43/64/08/385436408.db2.gz TYHJIRLFADQUKP-MRVPVSSYSA-N 1 2 207.277 1.537 20 0 BDADLO C[C@H](CO)[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000179425154 385465221 /nfs/dbraw/zinc/46/52/21/385465221.db2.gz GGJAEHATOGQYTI-ZJUUUORDSA-N 1 2 247.298 1.081 20 0 BDADLO Cc1cc(NC(=O)N2CCOCC[C@@H]2C)cc[nH+]1 ZINC000362258605 385469895 /nfs/dbraw/zinc/46/98/95/385469895.db2.gz RGDSSYLUONWNNN-NSHDSACASA-N 1 2 249.314 1.455 20 0 BDADLO O=C1C[N@@H+](C/C=C/Cl)[C@H]2CCCC[C@H]2N1 ZINC000156865446 385470826 /nfs/dbraw/zinc/47/08/26/385470826.db2.gz NRXPVUXXGHWHPP-OJKCRXNLSA-N 1 2 228.723 1.482 20 0 BDADLO O=C1C[N@H+](C/C=C/Cl)[C@H]2CCCC[C@H]2N1 ZINC000156865446 385470831 /nfs/dbraw/zinc/47/08/31/385470831.db2.gz NRXPVUXXGHWHPP-OJKCRXNLSA-N 1 2 228.723 1.482 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000179521911 385471830 /nfs/dbraw/zinc/47/18/30/385471830.db2.gz PZMQNQOWDATDAU-NEPJUHHUSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000179521911 385471834 /nfs/dbraw/zinc/47/18/34/385471834.db2.gz PZMQNQOWDATDAU-NEPJUHHUSA-N 1 2 249.358 1.817 20 0 BDADLO O=S1CC[NH+](CCCCCF)CC1 ZINC000308195116 385480859 /nfs/dbraw/zinc/48/08/59/385480859.db2.gz RQBNBHUGEHCNQQ-UHFFFAOYSA-N 1 2 207.314 1.191 20 0 BDADLO CO[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492899343 385461707 /nfs/dbraw/zinc/46/17/07/385461707.db2.gz LZASKEHXHFECDJ-WYGGZMRJSA-N 1 2 235.287 1.060 20 0 BDADLO CO[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492899047 385462814 /nfs/dbraw/zinc/46/28/14/385462814.db2.gz LZASKEHXHFECDJ-DOGVGXBMSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(C[NH+]1Cc2ccccc2C1)NCC1CC1 ZINC000171573589 385498574 /nfs/dbraw/zinc/49/85/74/385498574.db2.gz JCTDXCZRTZUGOW-UHFFFAOYSA-N 1 2 230.311 1.528 20 0 BDADLO CC[C@H]1CN(Cc2[nH+]ccn2CC)C[C@H](C)O1 ZINC000111273707 385498557 /nfs/dbraw/zinc/49/85/57/385498557.db2.gz KOURZNCFPMTIGA-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c[nH+]c[nH]1 ZINC000179968987 385501221 /nfs/dbraw/zinc/50/12/21/385501221.db2.gz JECFMFPJMCFGMX-VIFPVBQESA-N 1 2 239.319 1.572 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c[nH]c[nH+]1 ZINC000179968987 385501226 /nfs/dbraw/zinc/50/12/26/385501226.db2.gz JECFMFPJMCFGMX-VIFPVBQESA-N 1 2 239.319 1.572 20 0 BDADLO Cn1cc[nH+]c1CN(Cc1cccnc1)C1CC1 ZINC000180280430 385518064 /nfs/dbraw/zinc/51/80/64/385518064.db2.gz OKYXGEMJVOCJSD-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CC(C)[C@H](C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493072793 385512165 /nfs/dbraw/zinc/51/21/65/385512165.db2.gz RFKNOLBZGSZNCZ-ORAHPGNNSA-N 1 2 221.304 1.831 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000563016451 385512516 /nfs/dbraw/zinc/51/25/16/385512516.db2.gz ICNBUDLIBLSCIF-VLEAKVRGSA-N 1 2 245.326 1.744 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000563016451 385512521 /nfs/dbraw/zinc/51/25/21/385512521.db2.gz ICNBUDLIBLSCIF-VLEAKVRGSA-N 1 2 245.326 1.744 20 0 BDADLO Cc1cnc(CC[N@@H+](C)Cc2ncc[nH]2)s1 ZINC000157685369 385516059 /nfs/dbraw/zinc/51/60/59/385516059.db2.gz QGCBVBYSZOZOLO-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO Cc1cnc(CC[N@H+](C)Cc2ncc[nH]2)s1 ZINC000157685369 385516061 /nfs/dbraw/zinc/51/60/61/385516061.db2.gz QGCBVBYSZOZOLO-UHFFFAOYSA-N 1 2 236.344 1.849 20 0 BDADLO NC(=O)C1([NH2+]Cc2c(F)cccc2F)CC1 ZINC000183845504 385539131 /nfs/dbraw/zinc/53/91/31/385539131.db2.gz KWUCDLQESRAZCO-UHFFFAOYSA-N 1 2 226.226 1.072 20 0 BDADLO O=C(NCc1ccc[nH]1)c1ccc2[nH+]ccn2c1 ZINC000081474113 385545906 /nfs/dbraw/zinc/54/59/06/385545906.db2.gz UZSZDRIHTHEJCF-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158051350 385546057 /nfs/dbraw/zinc/54/60/57/385546057.db2.gz XUZZMCMACDGRFB-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCc2cccc(F)c2C1 ZINC000158051350 385546061 /nfs/dbraw/zinc/54/60/61/385546061.db2.gz XUZZMCMACDGRFB-LBPRGKRZSA-N 1 2 236.290 1.448 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc(O)c1 ZINC000282200533 385520768 /nfs/dbraw/zinc/52/07/68/385520768.db2.gz GTJKBFZUGCWPCW-ZJUUUORDSA-N 1 2 246.314 1.933 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)no1 ZINC000107290071 385561802 /nfs/dbraw/zinc/56/18/02/385561802.db2.gz YAXVZZPAYCEQKW-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO CC[C@](C)([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OC ZINC000309409961 385572621 /nfs/dbraw/zinc/57/26/21/385572621.db2.gz BRCKVBYLIBDLTK-UMNHJUIQSA-N 1 2 229.320 1.485 20 0 BDADLO COC[C@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493188028 533130998 /nfs/dbraw/zinc/13/09/98/533130998.db2.gz LHYHMYCFQAFQSP-ZWNMCFTASA-N 1 2 249.314 1.308 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](O)C(C)C)CCCC1 ZINC000309433035 385580210 /nfs/dbraw/zinc/58/02/10/385580210.db2.gz GPYHOVXOJHTWRZ-SNVBAGLBSA-N 1 2 229.320 1.079 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000365065852 385587590 /nfs/dbraw/zinc/58/75/90/385587590.db2.gz GOMQVWGJXSLYJP-QNCMIEPLSA-N 1 2 247.342 1.979 20 0 BDADLO CCCCNc1cc(N[C@H](C)CO)nc(N)[nH+]1 ZINC000281036553 385630271 /nfs/dbraw/zinc/63/02/71/385630271.db2.gz VBBBFYGQPBAIDX-MRVPVSSYSA-N 1 2 239.323 1.064 20 0 BDADLO CCCCNc1cc(N[C@H](C)CO)[nH+]c(N)n1 ZINC000281036553 385630277 /nfs/dbraw/zinc/63/02/77/385630277.db2.gz VBBBFYGQPBAIDX-MRVPVSSYSA-N 1 2 239.323 1.064 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1cscn1 ZINC000182085807 385632058 /nfs/dbraw/zinc/63/20/58/385632058.db2.gz BUTNUUHZNVBUCD-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1cscn1 ZINC000182085807 385632063 /nfs/dbraw/zinc/63/20/63/385632063.db2.gz BUTNUUHZNVBUCD-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO CC[C@@H](C)OCC(=O)NCc1[nH]c[nH+]c1C ZINC000269772091 385634883 /nfs/dbraw/zinc/63/48/83/385634883.db2.gz PXGNOODOLJQKCM-MRVPVSSYSA-N 1 2 225.292 1.149 20 0 BDADLO Cc1nonc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000269571500 385610589 /nfs/dbraw/zinc/61/05/89/385610589.db2.gz NOMYPNVDOXZKCF-CYBMUJFWSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1nonc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000269571500 385610598 /nfs/dbraw/zinc/61/05/98/385610598.db2.gz NOMYPNVDOXZKCF-CYBMUJFWSA-N 1 2 247.298 1.543 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C)C1 ZINC000269594675 385613139 /nfs/dbraw/zinc/61/31/39/385613139.db2.gz UDQCJRONNJSPBP-PWSUYJOCSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@@H](C)C1 ZINC000269594675 385613145 /nfs/dbraw/zinc/61/31/45/385613145.db2.gz UDQCJRONNJSPBP-PWSUYJOCSA-N 1 2 234.299 1.638 20 0 BDADLO Cc1nonc1C[N@H+](C)CCc1nccs1 ZINC000269890426 385645198 /nfs/dbraw/zinc/64/51/98/385645198.db2.gz RZJKTTZUADLMKO-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nonc1C[N@@H+](C)CCc1nccs1 ZINC000269890426 385645204 /nfs/dbraw/zinc/64/52/04/385645204.db2.gz RZJKTTZUADLMKO-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2ncnn2CC)o1 ZINC000311768109 385665351 /nfs/dbraw/zinc/66/53/51/385665351.db2.gz MFWSLJPOSOSBPU-UHFFFAOYSA-N 1 2 249.318 1.447 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCO[C@H]2CCC[C@H]21 ZINC000281285580 385653146 /nfs/dbraw/zinc/65/31/46/385653146.db2.gz ZNWZZFVIWQPQHT-NEPJUHHUSA-N 1 2 249.314 1.053 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H](O)C(C)C ZINC000414524553 385661550 /nfs/dbraw/zinc/66/15/50/385661550.db2.gz IEHHVEIUNCEULU-MNOVXSKESA-N 1 2 211.309 1.295 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@H](OCC(C)C)C2)n1 ZINC000119510778 385671808 /nfs/dbraw/zinc/67/18/08/385671808.db2.gz RMQJNHBCGPLRRV-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@H](OCC(C)C)C2)n1 ZINC000119510778 385671818 /nfs/dbraw/zinc/67/18/18/385671818.db2.gz RMQJNHBCGPLRRV-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CC(C)=CCCNC(=O)CCc1c[nH+]cn1C ZINC000281512287 385676746 /nfs/dbraw/zinc/67/67/46/385676746.db2.gz GWBFWYMIDLQWCD-UHFFFAOYSA-N 1 2 235.331 1.825 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2nc(C)no2)C1 ZINC000408210020 385678249 /nfs/dbraw/zinc/67/82/49/385678249.db2.gz XMHUPXFQBHMZMN-GFCCVEGCSA-N 1 2 239.319 1.363 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000408210020 385678251 /nfs/dbraw/zinc/67/82/51/385678251.db2.gz XMHUPXFQBHMZMN-GFCCVEGCSA-N 1 2 239.319 1.363 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000337494895 385683984 /nfs/dbraw/zinc/68/39/84/385683984.db2.gz HWQOKHNBTLGURJ-JTQLQIEISA-N 1 2 237.274 1.788 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000337494895 385683988 /nfs/dbraw/zinc/68/39/88/385683988.db2.gz HWQOKHNBTLGURJ-JTQLQIEISA-N 1 2 237.274 1.788 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000270101403 385670704 /nfs/dbraw/zinc/67/07/04/385670704.db2.gz BPEAVDRTRFRHOH-UWVGGRQHSA-N 1 2 241.360 1.529 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC(C)(C)C2)n1 ZINC000335524893 385760780 /nfs/dbraw/zinc/76/07/80/385760780.db2.gz MQURBTPUQRCDGD-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC(C)(C)C2)n1 ZINC000335524893 385760786 /nfs/dbraw/zinc/76/07/86/385760786.db2.gz MQURBTPUQRCDGD-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cc1ccnc(N(C)Cc2[nH+]ccn2C)n1 ZINC000271002945 385770172 /nfs/dbraw/zinc/77/01/72/385770172.db2.gz YNYDVBVYBSYMRW-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000282539861 385771179 /nfs/dbraw/zinc/77/11/79/385771179.db2.gz QXLITPGUKFUVQW-VHSKPIJISA-N 1 2 237.303 1.148 20 0 BDADLO CC(C)COCC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000309662806 385773924 /nfs/dbraw/zinc/77/39/24/385773924.db2.gz GODTVLKWQKWYKU-JTQLQIEISA-N 1 2 226.324 1.138 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)[C@@H](C)O ZINC000271114252 385787910 /nfs/dbraw/zinc/78/79/10/385787910.db2.gz HDDFDPSRGUJXSM-SECBINFHSA-N 1 2 237.303 1.671 20 0 BDADLO c1ncc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000294004897 385783667 /nfs/dbraw/zinc/78/36/67/385783667.db2.gz MMAWFRPTQQCOSC-KGLIPLIRSA-N 1 2 245.326 1.620 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@H]2CCCC[C@H]21 ZINC000365797345 385783624 /nfs/dbraw/zinc/78/36/24/385783624.db2.gz MYJAHHZVSCVHBN-VXGBXAGGSA-N 1 2 233.315 1.674 20 0 BDADLO c1ncc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000294004897 385783672 /nfs/dbraw/zinc/78/36/72/385783672.db2.gz MMAWFRPTQQCOSC-KGLIPLIRSA-N 1 2 245.326 1.620 20 0 BDADLO O=C1OC[C@@H]2C[N@H+](CCC(F)(F)F)CCN12 ZINC000363868623 385783818 /nfs/dbraw/zinc/78/38/18/385783818.db2.gz XFHKEUXPAMWHPU-ZETCQYMHSA-N 1 2 238.209 1.075 20 0 BDADLO O=C1OC[C@@H]2C[N@@H+](CCC(F)(F)F)CCN12 ZINC000363868623 385783825 /nfs/dbraw/zinc/78/38/25/385783825.db2.gz XFHKEUXPAMWHPU-ZETCQYMHSA-N 1 2 238.209 1.075 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000282810945 385788102 /nfs/dbraw/zinc/78/81/02/385788102.db2.gz PDOAIJLIPXXDHV-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000282810945 385788108 /nfs/dbraw/zinc/78/81/08/385788108.db2.gz PDOAIJLIPXXDHV-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[N@H+](CCCO)Cc1noc(-c2ccccc2)n1 ZINC000281969653 385719849 /nfs/dbraw/zinc/71/98/49/385719849.db2.gz VNPVJVOHUXPFFF-UHFFFAOYSA-N 1 2 247.298 1.551 20 0 BDADLO C[N@@H+](CCCO)Cc1noc(-c2ccccc2)n1 ZINC000281969653 385719857 /nfs/dbraw/zinc/71/98/57/385719857.db2.gz VNPVJVOHUXPFFF-UHFFFAOYSA-N 1 2 247.298 1.551 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CO)c2ccccc2)o1 ZINC000182927871 385723152 /nfs/dbraw/zinc/72/31/52/385723152.db2.gz MVADQNSWFDMZFO-LBPRGKRZSA-N 1 2 232.283 1.806 20 0 BDADLO COC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000270601493 385723218 /nfs/dbraw/zinc/72/32/18/385723218.db2.gz WARHISKSNROUDQ-JTQLQIEISA-N 1 2 247.298 1.415 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)n[nH]1 ZINC000271174183 385798294 /nfs/dbraw/zinc/79/82/94/385798294.db2.gz GBYLNJGQXKWDGI-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO c1cc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)n[nH]1 ZINC000271174183 385798297 /nfs/dbraw/zinc/79/82/97/385798297.db2.gz GBYLNJGQXKWDGI-LBPRGKRZSA-N 1 2 244.298 1.458 20 0 BDADLO Cc1nc(CC[N@@H+](C)Cc2cn[nH]c2C)no1 ZINC000271204338 385803762 /nfs/dbraw/zinc/80/37/62/385803762.db2.gz XMHQWUFSFKJPBF-UHFFFAOYSA-N 1 2 235.291 1.084 20 0 BDADLO Cc1nc(CC[N@H+](C)Cc2cn[nH]c2C)no1 ZINC000271204338 385803765 /nfs/dbraw/zinc/80/37/65/385803765.db2.gz XMHQWUFSFKJPBF-UHFFFAOYSA-N 1 2 235.291 1.084 20 0 BDADLO c1coc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000271229640 385808229 /nfs/dbraw/zinc/80/82/29/385808229.db2.gz AUBQDNXTFOGHAQ-GFCCVEGCSA-N 1 2 236.315 1.186 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCC[C@@H]21 ZINC000337862765 385808675 /nfs/dbraw/zinc/80/86/75/385808675.db2.gz JLCWYKXHFQPTNW-ONGXEEELSA-N 1 2 243.314 1.742 20 0 BDADLO COc1nccnc1C[N@H+](C)Cc1ccncc1 ZINC000294126548 385808856 /nfs/dbraw/zinc/80/88/56/385808856.db2.gz FCNDNCALOMIMPA-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1nccnc1C[N@@H+](C)Cc1ccncc1 ZINC000294126548 385808861 /nfs/dbraw/zinc/80/88/61/385808861.db2.gz FCNDNCALOMIMPA-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCCO1 ZINC000283210634 385812649 /nfs/dbraw/zinc/81/26/49/385812649.db2.gz RPMUCYHSUPWWRP-SXGMEYSMSA-N 1 2 249.314 1.497 20 0 BDADLO C[N@H+](CCc1cnccn1)Cc1cscn1 ZINC000271298058 385814602 /nfs/dbraw/zinc/81/46/02/385814602.db2.gz DRWGLMVMDSMLJS-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1cnccn1)Cc1cscn1 ZINC000271298058 385814607 /nfs/dbraw/zinc/81/46/07/385814607.db2.gz DRWGLMVMDSMLJS-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]1C ZINC000294220263 385824611 /nfs/dbraw/zinc/82/46/11/385824611.db2.gz RJMJJHYQJOMYPH-VXNVDRBHSA-N 1 2 207.277 1.127 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1cccnc1 ZINC000283724929 385830320 /nfs/dbraw/zinc/83/03/20/385830320.db2.gz BNOXMWOIQXNWCC-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1cccnc1 ZINC000283724929 385830325 /nfs/dbraw/zinc/83/03/25/385830325.db2.gz BNOXMWOIQXNWCC-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CC(C)CONC(=O)CCc1[nH]cc[nH+]1 ZINC000283790664 385833650 /nfs/dbraw/zinc/83/36/50/385833650.db2.gz UTGVOEKUVWPGGX-UHFFFAOYSA-N 1 2 211.265 1.046 20 0 BDADLO CC(C)[C@@H](O)C[N@H+](C)Cc1nccn1C(F)F ZINC000283844541 385837515 /nfs/dbraw/zinc/83/75/15/385837515.db2.gz CPZRPAPHOAZWNG-VIFPVBQESA-N 1 2 247.289 1.727 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+](C)Cc1nccn1C(F)F ZINC000283844541 385837518 /nfs/dbraw/zinc/83/75/18/385837518.db2.gz CPZRPAPHOAZWNG-VIFPVBQESA-N 1 2 247.289 1.727 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000294350952 385839375 /nfs/dbraw/zinc/83/93/75/385839375.db2.gz FXTWNLNQRVGSFD-PFEDMVJOSA-N 1 2 221.304 1.744 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000148539818 385842283 /nfs/dbraw/zinc/84/22/83/385842283.db2.gz VLZVCUMWIJUAKL-RKDXNWHRSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@@H](CNC(=O)C(C)(C)F)Cn1cc[nH+]c1 ZINC000271116472 385788751 /nfs/dbraw/zinc/78/87/51/385788751.db2.gz DLJIMCCJVQIFPH-VIFPVBQESA-N 1 2 227.283 1.384 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000271117820 385790321 /nfs/dbraw/zinc/79/03/21/385790321.db2.gz IBOXFGWNAGQCOC-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)n1 ZINC000271117820 385790323 /nfs/dbraw/zinc/79/03/23/385790323.db2.gz IBOXFGWNAGQCOC-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)o1 ZINC000282824283 385790747 /nfs/dbraw/zinc/79/07/47/385790747.db2.gz ULLZKQJNGDUODD-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)NCC2(C)C)o1 ZINC000282824283 385790752 /nfs/dbraw/zinc/79/07/52/385790752.db2.gz ULLZKQJNGDUODD-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2nnc(C)[nH]2)cc1 ZINC000271170679 385796295 /nfs/dbraw/zinc/79/62/95/385796295.db2.gz DRQXHBWDOWWWCF-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2nnc(C)[nH]2)cc1 ZINC000271170679 385796300 /nfs/dbraw/zinc/79/63/00/385796300.db2.gz DRQXHBWDOWWWCF-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO CC1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647845518 385884857 /nfs/dbraw/zinc/88/48/57/385884857.db2.gz NVPFEDBXEYKICJ-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO CC1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000647845518 385884864 /nfs/dbraw/zinc/88/48/64/385884864.db2.gz NVPFEDBXEYKICJ-UHFFFAOYSA-N 1 2 234.303 1.517 20 0 BDADLO c1nc(N2CCCCCC2)c2c([nH+]1)NCCO2 ZINC000647844112 385894740 /nfs/dbraw/zinc/89/47/40/385894740.db2.gz RVHIOCZKTLFMTQ-UHFFFAOYSA-N 1 2 234.303 1.661 20 0 BDADLO c1nc2c(c(N3CCCCCC3)[nH+]1)OCCN2 ZINC000647844112 385894741 /nfs/dbraw/zinc/89/47/41/385894741.db2.gz RVHIOCZKTLFMTQ-UHFFFAOYSA-N 1 2 234.303 1.661 20 0 BDADLO CCC[C@@H]1C[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000308901322 385906423 /nfs/dbraw/zinc/90/64/23/385906423.db2.gz UIYLRWAVGRSACZ-HTQZYQBOSA-N 1 2 207.281 1.363 20 0 BDADLO CCC[C@@H]1C[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000308901322 385906427 /nfs/dbraw/zinc/90/64/27/385906427.db2.gz UIYLRWAVGRSACZ-HTQZYQBOSA-N 1 2 207.281 1.363 20 0 BDADLO O[C@H]1CCCC[C@@H]1Nc1cc[nH+]cc1F ZINC000308903336 385908154 /nfs/dbraw/zinc/90/81/54/385908154.db2.gz CRZFZLUOCALCHM-QWRGUYRKSA-N 1 2 210.252 1.936 20 0 BDADLO CC(C)N1CC[N@H+](Cc2ccn(C)c2)CC1=O ZINC000272521711 385909116 /nfs/dbraw/zinc/90/91/16/385909116.db2.gz LGXRDTQODHXMRC-UHFFFAOYSA-N 1 2 235.331 1.078 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2ccn(C)c2)CC1=O ZINC000272521711 385909122 /nfs/dbraw/zinc/90/91/22/385909122.db2.gz LGXRDTQODHXMRC-UHFFFAOYSA-N 1 2 235.331 1.078 20 0 BDADLO CC(C)(C(=O)NCC1CCC1)[NH+]1CCOCC1 ZINC000338157036 385909459 /nfs/dbraw/zinc/90/94/59/385909459.db2.gz PXQRCOCSOVRGCA-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO COc1nccc(C[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000294891919 385911894 /nfs/dbraw/zinc/91/18/94/385911894.db2.gz RKIWXNMPCHDVTM-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO COc1nccc(C[N@H+]2CCOC3(CCC3)C2)n1 ZINC000294891919 385911896 /nfs/dbraw/zinc/91/18/96/385911896.db2.gz RKIWXNMPCHDVTM-UHFFFAOYSA-N 1 2 249.314 1.240 20 0 BDADLO CN(CC1CCCC1)c1nc[nH+]c2c1OCCN2 ZINC000647861060 385917923 /nfs/dbraw/zinc/91/79/23/385917923.db2.gz LLXROLXNPJQJRJ-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO CN(CC1CCCC1)c1[nH+]cnc2c1OCCN2 ZINC000647861060 385917928 /nfs/dbraw/zinc/91/79/28/385917928.db2.gz LLXROLXNPJQJRJ-UHFFFAOYSA-N 1 2 248.330 1.907 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)nc1 ZINC000285376900 385919993 /nfs/dbraw/zinc/91/99/93/385919993.db2.gz RJGAJXKTWVQRAO-CQSZACIVSA-N 1 2 248.326 1.463 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)nc1 ZINC000285376900 385920000 /nfs/dbraw/zinc/92/00/00/385920000.db2.gz RJGAJXKTWVQRAO-CQSZACIVSA-N 1 2 248.326 1.463 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000338234110 385925586 /nfs/dbraw/zinc/92/55/86/385925586.db2.gz XLKUOHCOZRISFP-UKKRHICBSA-N 1 2 239.315 1.095 20 0 BDADLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCO ZINC000284328001 385861495 /nfs/dbraw/zinc/86/14/95/385861495.db2.gz QDFVVYJJZNCSDV-MRVPVSSYSA-N 1 2 214.696 1.510 20 0 BDADLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCO ZINC000284328001 385861500 /nfs/dbraw/zinc/86/15/00/385861500.db2.gz QDFVVYJJZNCSDV-MRVPVSSYSA-N 1 2 214.696 1.510 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+](C)[C@H](C)CO)cs1 ZINC000284354224 385863485 /nfs/dbraw/zinc/86/34/85/385863485.db2.gz DABDGFLAGATHGI-RKDXNWHRSA-N 1 2 244.360 1.663 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+](C)[C@H](C)CO)cs1 ZINC000284354224 385863487 /nfs/dbraw/zinc/86/34/87/385863487.db2.gz DABDGFLAGATHGI-RKDXNWHRSA-N 1 2 244.360 1.663 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000284397025 385865931 /nfs/dbraw/zinc/86/59/31/385865931.db2.gz NAQAGABCUVCRLZ-PBKGFPTLSA-N 1 2 249.314 1.354 20 0 BDADLO C[N@H+](CCOc1ccccc1)Cc1cnn[nH]1 ZINC000284380309 385866085 /nfs/dbraw/zinc/86/60/85/385866085.db2.gz UWJUAVAREPKFPU-UHFFFAOYSA-N 1 2 232.287 1.316 20 0 BDADLO C[N@@H+](CCOc1ccccc1)Cc1cnn[nH]1 ZINC000284380309 385866088 /nfs/dbraw/zinc/86/60/88/385866088.db2.gz UWJUAVAREPKFPU-UHFFFAOYSA-N 1 2 232.287 1.316 20 0 BDADLO Cn1nnnc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340191677 385868857 /nfs/dbraw/zinc/86/88/57/385868857.db2.gz TUNBOAYTUZPDJN-UHFFFAOYSA-N 1 2 235.335 1.388 20 0 BDADLO Cn1nnnc1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000340191677 385868861 /nfs/dbraw/zinc/86/88/61/385868861.db2.gz TUNBOAYTUZPDJN-UHFFFAOYSA-N 1 2 235.335 1.388 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284548635 385875839 /nfs/dbraw/zinc/87/58/39/385875839.db2.gz XQTVDPCOTVLMRO-FANORHCKSA-N 1 2 249.314 1.042 20 0 BDADLO c1[nH+]cn2c1CN(CCOc1ccccc1)CC2 ZINC000647940630 385878677 /nfs/dbraw/zinc/87/86/77/385878677.db2.gz MFNWQWSVOXKQDN-UHFFFAOYSA-N 1 2 243.310 1.778 20 0 BDADLO c1ncn2c1C[N@H+](CCOc1ccccc1)CC2 ZINC000647940630 385878681 /nfs/dbraw/zinc/87/86/81/385878681.db2.gz MFNWQWSVOXKQDN-UHFFFAOYSA-N 1 2 243.310 1.778 20 0 BDADLO c1ncn2c1C[N@@H+](CCOc1ccccc1)CC2 ZINC000647940630 385878685 /nfs/dbraw/zinc/87/86/85/385878685.db2.gz MFNWQWSVOXKQDN-UHFFFAOYSA-N 1 2 243.310 1.778 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)n1 ZINC000338371732 385979963 /nfs/dbraw/zinc/97/99/63/385979963.db2.gz OERCWQXVIROBBE-OKILXGFUSA-N 1 2 248.326 1.298 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)n1 ZINC000338371732 385979967 /nfs/dbraw/zinc/97/99/67/385979967.db2.gz OERCWQXVIROBBE-OKILXGFUSA-N 1 2 248.326 1.298 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCOC1 ZINC000425412299 385990679 /nfs/dbraw/zinc/99/06/79/385990679.db2.gz ZBWPCXASYOIFGG-ZCFIWIBFSA-N 1 2 233.218 1.228 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCOC1 ZINC000425412299 385990685 /nfs/dbraw/zinc/99/06/85/385990685.db2.gz ZBWPCXASYOIFGG-ZCFIWIBFSA-N 1 2 233.218 1.228 20 0 BDADLO C[N@H+](Cc1ccoc1)Cc1cn2cccnc2n1 ZINC000345088128 385990972 /nfs/dbraw/zinc/99/09/72/385990972.db2.gz BUISGOUVRJBEAC-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@@H+](Cc1ccoc1)Cc1cn2cccnc2n1 ZINC000345088128 385990978 /nfs/dbraw/zinc/99/09/78/385990978.db2.gz BUISGOUVRJBEAC-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336769697 385991461 /nfs/dbraw/zinc/99/14/61/385991461.db2.gz SGULCRCCFIIGSD-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084197 385936060 /nfs/dbraw/zinc/93/60/60/385936060.db2.gz ASUKYXPWODLORR-KXNHARMFSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342084197 385936066 /nfs/dbraw/zinc/93/60/66/385936066.db2.gz ASUKYXPWODLORR-KXNHARMFSA-N 1 2 240.347 1.153 20 0 BDADLO CO[C@@H](C)CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000272857286 385943489 /nfs/dbraw/zinc/94/34/89/385943489.db2.gz RKGATQTZKJKCTM-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000338302064 385953964 /nfs/dbraw/zinc/95/39/64/385953964.db2.gz AGVKHFDRWGWOAU-IONNQARKSA-N 1 2 227.333 1.628 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000338302064 385953969 /nfs/dbraw/zinc/95/39/69/385953969.db2.gz AGVKHFDRWGWOAU-IONNQARKSA-N 1 2 227.333 1.628 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000365208501 385955220 /nfs/dbraw/zinc/95/52/20/385955220.db2.gz ZKQLOMICEFJTHW-GFCCVEGCSA-N 1 2 247.342 1.926 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000338308693 385957301 /nfs/dbraw/zinc/95/73/01/385957301.db2.gz QGDFGTFWAAIWPE-IONNQARKSA-N 1 2 239.344 1.364 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000338308693 385957306 /nfs/dbraw/zinc/95/73/06/385957306.db2.gz QGDFGTFWAAIWPE-IONNQARKSA-N 1 2 239.344 1.364 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CCOC2)c[nH+]1 ZINC000335057631 385958870 /nfs/dbraw/zinc/95/88/70/385958870.db2.gz KGFGXMFBANDZHW-NSHDSACASA-N 1 2 234.299 1.351 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)on1 ZINC000335059125 385960866 /nfs/dbraw/zinc/96/08/66/385960866.db2.gz PQMAFUIICMHNOI-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO COC[C@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000273064285 385965709 /nfs/dbraw/zinc/96/57/09/385965709.db2.gz YTJDUIZGZPWGCL-JTQLQIEISA-N 1 2 237.303 1.427 20 0 BDADLO CC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)COC1 ZINC000273104408 385970212 /nfs/dbraw/zinc/97/02/12/385970212.db2.gz VGOCNKRGANEKJD-SNVBAGLBSA-N 1 2 249.314 1.152 20 0 BDADLO CCCc1noc(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000273402221 385997967 /nfs/dbraw/zinc/99/79/67/385997967.db2.gz RDJJCMDVXUKCSS-VIFPVBQESA-N 1 2 249.318 1.606 20 0 BDADLO Cc1ccoc1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000345061538 386002217 /nfs/dbraw/zinc/00/22/17/386002217.db2.gz UYSKHUSYPGQQFS-UHFFFAOYSA-N 1 2 247.298 1.821 20 0 BDADLO CCCCCS(=O)(=O)NCc1[nH+]ccn1C ZINC000273535125 386011262 /nfs/dbraw/zinc/01/12/62/386011262.db2.gz CVKAXKFUMBPWGQ-UHFFFAOYSA-N 1 2 245.348 1.030 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccn[nH]2)c[nH+]1 ZINC000335060183 386024614 /nfs/dbraw/zinc/02/46/14/386024614.db2.gz WIICRKOYVYKFNG-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000335060213 386024828 /nfs/dbraw/zinc/02/48/28/386024828.db2.gz YHFZOORHZLNXBC-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000335060213 386024830 /nfs/dbraw/zinc/02/48/30/386024830.db2.gz YHFZOORHZLNXBC-LBPRGKRZSA-N 1 2 245.244 1.871 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)[nH]n1 ZINC000335060076 386024983 /nfs/dbraw/zinc/02/49/83/386024983.db2.gz RZHVUXKZMXJBBM-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000286335796 386026877 /nfs/dbraw/zinc/02/68/77/386026877.db2.gz LSESNWUQDFUTGZ-NXEZZACHSA-N 1 2 207.277 1.135 20 0 BDADLO CCC[C@@H](OC)C(=O)NCc1[nH+]ccn1CC ZINC000295466485 386038096 /nfs/dbraw/zinc/03/80/96/386038096.db2.gz CNXZPORMYMVDKW-SNVBAGLBSA-N 1 2 239.319 1.334 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCO[C@@H]2C)cc(C)[nH+]1 ZINC000335076644 386046779 /nfs/dbraw/zinc/04/67/79/386046779.db2.gz ZXVLGKYTIBGRMS-YPMHNXCESA-N 1 2 248.326 1.740 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCO[C@H]2C)cc(C)[nH+]1 ZINC000335076641 386047276 /nfs/dbraw/zinc/04/72/76/386047276.db2.gz ZXVLGKYTIBGRMS-AAEUAGOBSA-N 1 2 248.326 1.740 20 0 BDADLO C[N@H+](CCc1ccccc1)Cc1cnn[nH]1 ZINC000295543795 386048607 /nfs/dbraw/zinc/04/86/07/386048607.db2.gz OOCDSCCLKFPBJC-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO C[N@@H+](CCc1ccccc1)Cc1cnn[nH]1 ZINC000295543795 386048614 /nfs/dbraw/zinc/04/86/14/386048614.db2.gz OOCDSCCLKFPBJC-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO C[N@H+](CCc1ccccc1)Cc1c[nH]nn1 ZINC000295543795 386048620 /nfs/dbraw/zinc/04/86/20/386048620.db2.gz OOCDSCCLKFPBJC-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO C[N@@H+](CCc1ccccc1)Cc1c[nH]nn1 ZINC000295543795 386048624 /nfs/dbraw/zinc/04/86/24/386048624.db2.gz OOCDSCCLKFPBJC-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO C[N@H+](CCc1ccccc1)Cc1cn[nH]n1 ZINC000295543795 386048627 /nfs/dbraw/zinc/04/86/27/386048627.db2.gz OOCDSCCLKFPBJC-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO C[N@@H+](CCc1ccccc1)Cc1cn[nH]n1 ZINC000295543795 386048632 /nfs/dbraw/zinc/04/86/32/386048632.db2.gz OOCDSCCLKFPBJC-UHFFFAOYSA-N 1 2 216.288 1.479 20 0 BDADLO COC(=O)C(C)(C)CCNc1cc[nH+]c(C)n1 ZINC000286552777 386049975 /nfs/dbraw/zinc/04/99/75/386049975.db2.gz JWLJQMQLUAYHRG-UHFFFAOYSA-N 1 2 237.303 1.786 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000286559279 386053210 /nfs/dbraw/zinc/05/32/10/386053210.db2.gz TTYQALLOMCRYPK-NSHDSACASA-N 1 2 242.269 1.938 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1Cc1cccnc1 ZINC000286559279 386053214 /nfs/dbraw/zinc/05/32/14/386053214.db2.gz TTYQALLOMCRYPK-NSHDSACASA-N 1 2 242.269 1.938 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000425434639 386053571 /nfs/dbraw/zinc/05/35/71/386053571.db2.gz QJRXSPUQXIXGBL-WCQGTBRESA-N 1 2 243.347 1.589 20 0 BDADLO COC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000224052713 386123467 /nfs/dbraw/zinc/12/34/67/386123467.db2.gz UUFCFOKQFLRQIZ-UHFFFAOYSA-N 1 2 208.261 1.754 20 0 BDADLO CCc1nc(N(C)[C@H]2CCN(C)C2=O)cc(C)[nH+]1 ZINC000287263943 386109172 /nfs/dbraw/zinc/10/91/72/386109172.db2.gz KYBJOIBFNBNFQW-JTQLQIEISA-N 1 2 248.330 1.014 20 0 BDADLO COc1ccc(C[N@H+](C2CC2)C2COC2)cc1O ZINC000295944825 386111878 /nfs/dbraw/zinc/11/18/78/386111878.db2.gz GOZWALYICUOHKR-UHFFFAOYSA-N 1 2 249.310 1.764 20 0 BDADLO COc1ccc(C[N@@H+](C2CC2)C2COC2)cc1O ZINC000295944825 386111884 /nfs/dbraw/zinc/11/18/84/386111884.db2.gz GOZWALYICUOHKR-UHFFFAOYSA-N 1 2 249.310 1.764 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(NC3CC3)[nH+]cn2)CO1 ZINC000645390928 386112344 /nfs/dbraw/zinc/11/23/44/386112344.db2.gz XOEDEZUDNRIJIX-PSASIEDQSA-N 1 2 234.303 1.640 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(NC3CC3)nc[nH+]2)CO1 ZINC000645390928 386112349 /nfs/dbraw/zinc/11/23/49/386112349.db2.gz XOEDEZUDNRIJIX-PSASIEDQSA-N 1 2 234.303 1.640 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccsc2)c[nH+]1 ZINC000334461041 386124039 /nfs/dbraw/zinc/12/40/39/386124039.db2.gz VMHUGMDQQIUKKR-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1ncnn1CC(C)C ZINC000345834649 386120590 /nfs/dbraw/zinc/12/05/90/386120590.db2.gz MGQNMFBIJMSXGM-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1ncnn1CC(C)C ZINC000345834649 386120593 /nfs/dbraw/zinc/12/05/93/386120593.db2.gz MGQNMFBIJMSXGM-LLVKDONJSA-N 1 2 240.351 1.137 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCOC[C@@H]2C)c[nH+]1 ZINC000286692491 386066381 /nfs/dbraw/zinc/06/63/81/386066381.db2.gz CSCKNKYFQMFCCA-WPRPVWTQSA-N 1 2 237.303 1.121 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC[C@](F)(CO)C1 ZINC000338591477 386067091 /nfs/dbraw/zinc/06/70/91/386067091.db2.gz IWENVDZFFGDAIO-GFCCVEGCSA-N 1 2 241.310 1.370 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338592210 386067306 /nfs/dbraw/zinc/06/73/06/386067306.db2.gz LBLYKCRABYGJKX-PWSUYJOCSA-N 1 2 247.310 1.125 20 0 BDADLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338592210 386067313 /nfs/dbraw/zinc/06/73/13/386067313.db2.gz LBLYKCRABYGJKX-PWSUYJOCSA-N 1 2 247.310 1.125 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425438978 386067788 /nfs/dbraw/zinc/06/77/88/386067788.db2.gz ARZMPMDGYSXYSG-UHFFFAOYSA-N 1 2 249.261 1.864 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425438978 386067799 /nfs/dbraw/zinc/06/77/99/386067799.db2.gz ARZMPMDGYSXYSG-UHFFFAOYSA-N 1 2 249.261 1.864 20 0 BDADLO CC(C)(C)OC(=O)CC[N@@H+]1CCOCC12CC2 ZINC000338598933 386069680 /nfs/dbraw/zinc/06/96/80/386069680.db2.gz NWJJENLQQGYWDU-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO CC(C)(C)OC(=O)CC[N@H+]1CCOCC12CC2 ZINC000338598933 386069684 /nfs/dbraw/zinc/06/96/84/386069684.db2.gz NWJJENLQQGYWDU-UHFFFAOYSA-N 1 2 241.331 1.583 20 0 BDADLO CO[C@@H](C[N@@H+]1CCn2cnnc2[C@H]1C)C1CC1 ZINC000425445225 386078991 /nfs/dbraw/zinc/07/89/91/386078991.db2.gz NPWMVFSEHIUTDG-KOLCDFICSA-N 1 2 236.319 1.080 20 0 BDADLO CO[C@@H](C[N@H+]1CCn2cnnc2[C@H]1C)C1CC1 ZINC000425445225 386078997 /nfs/dbraw/zinc/07/89/97/386078997.db2.gz NPWMVFSEHIUTDG-KOLCDFICSA-N 1 2 236.319 1.080 20 0 BDADLO CCCCNC(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000345840705 386122767 /nfs/dbraw/zinc/12/27/67/386122767.db2.gz RNCRYKJNHBMIQT-UHFFFAOYSA-N 1 2 234.290 1.634 20 0 BDADLO CCCCNC(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000345840705 386122770 /nfs/dbraw/zinc/12/27/70/386122770.db2.gz RNCRYKJNHBMIQT-UHFFFAOYSA-N 1 2 234.290 1.634 20 0 BDADLO CCc1cnc(C[NH+]2CC3(C2)CCOC3)s1 ZINC000334449661 386087574 /nfs/dbraw/zinc/08/75/74/386087574.db2.gz KBFLXMIIIQTIAK-UHFFFAOYSA-N 1 2 238.356 1.928 20 0 BDADLO CCOC[C@@H]([NH2+][C@H](C)C(=O)OC)C(C)C ZINC000189796257 386088684 /nfs/dbraw/zinc/08/86/84/386088684.db2.gz IFFHIHHLRRXSFM-NXEZZACHSA-N 1 2 217.309 1.199 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)on1 ZINC000286978149 386089722 /nfs/dbraw/zinc/08/97/22/386089722.db2.gz PTQNCNGRDNMDSW-LLVKDONJSA-N 1 2 228.267 1.279 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@](F)(CO)C2)on1 ZINC000286978149 386089725 /nfs/dbraw/zinc/08/97/25/386089725.db2.gz PTQNCNGRDNMDSW-LLVKDONJSA-N 1 2 228.267 1.279 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)C1COC1 ZINC000295813612 386090307 /nfs/dbraw/zinc/09/03/07/386090307.db2.gz SUOJXYYWZJPEPX-ONEGZZNKSA-N 1 2 235.287 1.059 20 0 BDADLO C[N@H+](Cc1ccc(Cl)o1)[C@@H]1CCNC1=O ZINC000334453258 386094907 /nfs/dbraw/zinc/09/49/07/386094907.db2.gz SUNKGBDQRFIJQG-MRVPVSSYSA-N 1 2 228.679 1.253 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)o1)[C@@H]1CCNC1=O ZINC000334453258 386094912 /nfs/dbraw/zinc/09/49/12/386094912.db2.gz SUNKGBDQRFIJQG-MRVPVSSYSA-N 1 2 228.679 1.253 20 0 BDADLO CCc1ccc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000335152064 386144962 /nfs/dbraw/zinc/14/49/62/386144962.db2.gz LMEBKQCCEZIJJU-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000335152064 386144965 /nfs/dbraw/zinc/14/49/65/386144965.db2.gz LMEBKQCCEZIJJU-LLVKDONJSA-N 1 2 220.316 1.865 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000274751668 386147383 /nfs/dbraw/zinc/14/73/83/386147383.db2.gz LKJSOPUUGUHVDC-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO CC[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(N)n2)C1 ZINC000310161605 386151430 /nfs/dbraw/zinc/15/14/30/386151430.db2.gz LPYBERIURRQKKD-WCBMZHEXSA-N 1 2 235.335 1.777 20 0 BDADLO CC[C@@H]1CC[C@H](C)N(c2nc(N)nc(C)[nH+]2)C1 ZINC000310161605 386151434 /nfs/dbraw/zinc/15/14/34/386151434.db2.gz LPYBERIURRQKKD-WCBMZHEXSA-N 1 2 235.335 1.777 20 0 BDADLO C[C@@H](CF)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000287987639 386159222 /nfs/dbraw/zinc/15/92/22/386159222.db2.gz AGMSGONFFPBDDK-VIFPVBQESA-N 1 2 248.261 1.355 20 0 BDADLO CC(C)[C@@H](NC(=O)c1cc[nH]c1)c1[nH]cc[nH+]1 ZINC000338881956 386165991 /nfs/dbraw/zinc/16/59/91/386165991.db2.gz XDJANGKAHVSJSA-SNVBAGLBSA-N 1 2 232.287 1.865 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCF)C1CC1 ZINC000346161841 386170143 /nfs/dbraw/zinc/17/01/43/386170143.db2.gz NENZRIZIIXVNFM-VIFPVBQESA-N 1 2 240.282 1.140 20 0 BDADLO COC1(C)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000310383106 386177372 /nfs/dbraw/zinc/17/73/72/386177372.db2.gz JMCNDGKZMAGIAG-UHFFFAOYSA-N 1 2 236.315 1.579 20 0 BDADLO CCN(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288276200 386180888 /nfs/dbraw/zinc/18/08/88/386180888.db2.gz UVRPXMFJYUIHGV-JTQLQIEISA-N 1 2 236.319 1.661 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000338930146 386183082 /nfs/dbraw/zinc/18/30/82/386183082.db2.gz JUYSHMPGUYZJMV-NRWUCQMLSA-N 1 2 247.342 1.824 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(=O)OC ZINC000338952111 386184035 /nfs/dbraw/zinc/18/40/35/386184035.db2.gz NSOILDVXIQFZDH-SRVKXCTJSA-N 1 2 241.331 1.343 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnccc1C ZINC000275152913 386185282 /nfs/dbraw/zinc/18/52/82/386185282.db2.gz YKRKBOUXMXBDJO-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cnccc1C ZINC000275152913 386185287 /nfs/dbraw/zinc/18/52/87/386185287.db2.gz YKRKBOUXMXBDJO-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO CN(CC1CC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000346214381 386187178 /nfs/dbraw/zinc/18/71/78/386187178.db2.gz GGQIACYBACDXRG-UHFFFAOYSA-N 1 2 221.304 1.556 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C)n1 ZINC000346209085 386187696 /nfs/dbraw/zinc/18/76/96/386187696.db2.gz NZWVFHXEJBWWRO-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)n1 ZINC000346209085 386187701 /nfs/dbraw/zinc/18/77/01/386187701.db2.gz NZWVFHXEJBWWRO-ZDUSSCGKSA-N 1 2 247.342 1.491 20 0 BDADLO CC(=O)Nc1cccc(OC(=O)C[NH+](C)C)c1 ZINC000263901651 386188128 /nfs/dbraw/zinc/18/81/28/386188128.db2.gz RHLFFGZYPDTLKA-UHFFFAOYSA-N 1 2 236.271 1.112 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000274598390 386126717 /nfs/dbraw/zinc/12/67/17/386126717.db2.gz LTWKPTMLQBBSSF-WDEREUQCSA-N 1 2 235.331 1.671 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000310128798 386128603 /nfs/dbraw/zinc/12/86/03/386128603.db2.gz YBHYEIHWXRPNMU-OYNCUSHFSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@H](C)[C@@H]2C)[nH+]1 ZINC000310128798 386128610 /nfs/dbraw/zinc/12/86/10/386128610.db2.gz YBHYEIHWXRPNMU-OYNCUSHFSA-N 1 2 235.335 1.999 20 0 BDADLO CCc1cccnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000287517166 386130597 /nfs/dbraw/zinc/13/05/97/386130597.db2.gz BLIJUFGDJYSQHO-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425471743 386133304 /nfs/dbraw/zinc/13/33/04/386133304.db2.gz HBDOCPYYXUDVSV-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425471743 386133308 /nfs/dbraw/zinc/13/33/08/386133308.db2.gz HBDOCPYYXUDVSV-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425471744 386133515 /nfs/dbraw/zinc/13/35/15/386133515.db2.gz HBDOCPYYXUDVSV-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425471744 386133516 /nfs/dbraw/zinc/13/35/16/386133516.db2.gz HBDOCPYYXUDVSV-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO CC(C)[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287579353 386134267 /nfs/dbraw/zinc/13/42/67/386134267.db2.gz QIJVXANYHBWSBD-NSHDSACASA-N 1 2 235.331 1.989 20 0 BDADLO CC1(C)CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000274636798 386136179 /nfs/dbraw/zinc/13/61/79/386136179.db2.gz XTKJGDJZTSCMOR-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000335143025 386141612 /nfs/dbraw/zinc/14/16/12/386141612.db2.gz BEZCZAZIEBFBEQ-DTORHVGOSA-N 1 2 240.376 1.693 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000335143025 386141618 /nfs/dbraw/zinc/14/16/18/386141618.db2.gz BEZCZAZIEBFBEQ-DTORHVGOSA-N 1 2 240.376 1.693 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274715749 386142481 /nfs/dbraw/zinc/14/24/81/386142481.db2.gz MWIXHFOYHLERFQ-UPJWGTAASA-N 1 2 249.358 1.928 20 0 BDADLO CCCn1cc(C[N@@H+]2CCOCC23CC3)cn1 ZINC000339003228 386201826 /nfs/dbraw/zinc/20/18/26/386201826.db2.gz YQTDVZYFKSXCGT-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCCn1cc(C[N@H+]2CCOCC23CC3)cn1 ZINC000339003228 386201833 /nfs/dbraw/zinc/20/18/33/386201833.db2.gz YQTDVZYFKSXCGT-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H](CO)c2ccccc2)o1 ZINC000264025837 386203977 /nfs/dbraw/zinc/20/39/77/386203977.db2.gz NWAWNANNIYBVLV-LBPRGKRZSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H](CO)c2ccccc2)o1 ZINC000264025837 386203982 /nfs/dbraw/zinc/20/39/82/386203982.db2.gz NWAWNANNIYBVLV-LBPRGKRZSA-N 1 2 247.298 1.543 20 0 BDADLO CCONC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000264051461 386206191 /nfs/dbraw/zinc/20/61/91/386206191.db2.gz BKSNDWLYBNUXBH-UHFFFAOYSA-N 1 2 248.286 1.393 20 0 BDADLO Fc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccn[nH]1)CO2 ZINC000288484088 386206654 /nfs/dbraw/zinc/20/66/54/386206654.db2.gz GRDDVWCTMIXKLD-GFCCVEGCSA-N 1 2 247.273 1.642 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCOC1CCC1 ZINC000347059932 386209148 /nfs/dbraw/zinc/20/91/48/386209148.db2.gz SEUIKKDTQOOADS-GLKRBJQHSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCOC1CCC1 ZINC000347059932 386209151 /nfs/dbraw/zinc/20/91/51/386209151.db2.gz SEUIKKDTQOOADS-GLKRBJQHSA-N 1 2 245.388 1.397 20 0 BDADLO Cc1nc(N[C@H]2CC3CCC2CC3)nc(N)[nH+]1 ZINC000310583465 386210439 /nfs/dbraw/zinc/21/04/39/386210439.db2.gz SNVXSZCYZRKVSD-RTBKNWGFSA-N 1 2 233.319 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CC3CCC2CC3)[nH+]1 ZINC000310583465 386210446 /nfs/dbraw/zinc/21/04/46/386210446.db2.gz SNVXSZCYZRKVSD-RTBKNWGFSA-N 1 2 233.319 1.753 20 0 BDADLO CCN(CC(C)C)C(=O)NCc1[nH+]ccn1C ZINC000264171304 386212812 /nfs/dbraw/zinc/21/28/12/386212812.db2.gz LXRUQONWTRMTRJ-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO C[C@H](NC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000264180573 386215147 /nfs/dbraw/zinc/21/51/47/386215147.db2.gz MBRJGBHWWFKFPX-QMMMGPOBSA-N 1 2 222.292 1.018 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(F)F ZINC000288614689 386219724 /nfs/dbraw/zinc/21/97/24/386219724.db2.gz QXMOEFRHMJLTNJ-SSDOTTSWSA-N 1 2 217.219 1.043 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)cn1 ZINC000264268593 386222857 /nfs/dbraw/zinc/22/28/57/386222857.db2.gz FVXHVGFPDNULPE-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)c1nncn1C ZINC000347033298 386223471 /nfs/dbraw/zinc/22/34/71/386223471.db2.gz MWRGJCJCPMKZOK-QMMMGPOBSA-N 1 2 214.338 1.171 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC000347033298 386223474 /nfs/dbraw/zinc/22/34/74/386223474.db2.gz MWRGJCJCPMKZOK-QMMMGPOBSA-N 1 2 214.338 1.171 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Cc1ccsc1 ZINC000264284543 386224095 /nfs/dbraw/zinc/22/40/95/386224095.db2.gz IYSBZNXGZCYEGL-UHFFFAOYSA-N 1 2 235.312 1.341 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347036441 386226031 /nfs/dbraw/zinc/22/60/31/386226031.db2.gz GXMYKEGXWNCNDV-MDZLAQPJSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347036441 386226035 /nfs/dbraw/zinc/22/60/35/386226035.db2.gz GXMYKEGXWNCNDV-MDZLAQPJSA-N 1 2 236.315 1.224 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000275648070 386227547 /nfs/dbraw/zinc/22/75/47/386227547.db2.gz BRTQCOVOOTVEKF-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000275648070 386227550 /nfs/dbraw/zinc/22/75/50/386227550.db2.gz BRTQCOVOOTVEKF-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@H](CC(C)C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000416158338 386230049 /nfs/dbraw/zinc/23/00/49/386230049.db2.gz KMWROYLMJOWABP-SNVBAGLBSA-N 1 2 239.319 1.429 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc(C)cn1 ZINC000336648478 386260492 /nfs/dbraw/zinc/26/04/92/386260492.db2.gz OTELIEQDZSNVTE-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc(C)cn1 ZINC000336648478 386260494 /nfs/dbraw/zinc/26/04/94/386260494.db2.gz OTELIEQDZSNVTE-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1=CCCCC1 ZINC000275750105 386234828 /nfs/dbraw/zinc/23/48/28/386234828.db2.gz SIVCEEPNWAZETJ-LLVKDONJSA-N 1 2 233.315 1.888 20 0 BDADLO Cc1ccn(C)c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000275740817 386236531 /nfs/dbraw/zinc/23/65/31/386236531.db2.gz BSZPNYGIAXODSK-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccncc1F ZINC000226223869 386240484 /nfs/dbraw/zinc/24/04/84/386240484.db2.gz BMJJYQIBHRFCDG-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)n1cccn1 ZINC000264519350 386243340 /nfs/dbraw/zinc/24/33/40/386243340.db2.gz MCLQIDAZIRXIDD-JTQLQIEISA-N 1 2 230.271 1.786 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000288961940 386244086 /nfs/dbraw/zinc/24/40/86/386244086.db2.gz BAGZRFXCWPRFIZ-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000288961940 386244092 /nfs/dbraw/zinc/24/40/92/386244092.db2.gz BAGZRFXCWPRFIZ-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000408362074 386244830 /nfs/dbraw/zinc/24/48/30/386244830.db2.gz LKOAJAPWKOPOAN-STQMWFEESA-N 1 2 243.310 1.623 20 0 BDADLO CCOCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275864581 386247047 /nfs/dbraw/zinc/24/70/47/386247047.db2.gz NDFLPCDAFTYKKJ-LBPRGKRZSA-N 1 2 246.314 1.520 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000275887046 386250156 /nfs/dbraw/zinc/25/01/56/386250156.db2.gz RJLSVXJXPALGJZ-JQWIXIFHSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000275887046 386250160 /nfs/dbraw/zinc/25/01/60/386250160.db2.gz RJLSVXJXPALGJZ-JQWIXIFHSA-N 1 2 240.303 1.219 20 0 BDADLO COCc1nc(C[N@H+](C)[C@H](C)CO)cs1 ZINC000336645571 386250671 /nfs/dbraw/zinc/25/06/71/386250671.db2.gz IDQXMFDJMXPCKC-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO COCc1nc(C[N@@H+](C)[C@H](C)CO)cs1 ZINC000336645571 386250675 /nfs/dbraw/zinc/25/06/75/386250675.db2.gz IDQXMFDJMXPCKC-MRVPVSSYSA-N 1 2 230.333 1.102 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cncc(C)c1 ZINC000275952145 386253887 /nfs/dbraw/zinc/25/38/87/386253887.db2.gz AGHIGQNYGJCSGV-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cncc(C)c1 ZINC000275952145 386253896 /nfs/dbraw/zinc/25/38/96/386253896.db2.gz AGHIGQNYGJCSGV-AWEZNQCLSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cncc(C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC000275984930 386258929 /nfs/dbraw/zinc/25/89/29/386258929.db2.gz FHXILGKPPWDIDI-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cncc(C[N@H+]2CCC[C@]23CCOC3=O)c1 ZINC000275984930 386258935 /nfs/dbraw/zinc/25/89/35/386258935.db2.gz FHXILGKPPWDIDI-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1cc(NC[C@@H](C)CC(F)F)nc[nH+]1 ZINC000645305566 386195027 /nfs/dbraw/zinc/19/50/27/386195027.db2.gz YIKKDUAWYSSRIT-ZETCQYMHSA-N 1 2 215.247 1.910 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366217679 386195020 /nfs/dbraw/zinc/19/50/20/386195020.db2.gz NLEVZWWYHYNTSO-KHQFGBGNSA-N 1 2 219.288 1.354 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366217679 386195024 /nfs/dbraw/zinc/19/50/24/386195024.db2.gz NLEVZWWYHYNTSO-KHQFGBGNSA-N 1 2 219.288 1.354 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCC(C)CC1)[C@H](C)O ZINC000191021543 386199789 /nfs/dbraw/zinc/19/97/89/386199789.db2.gz AEVBQRRRZHHOLJ-QONHTCSSSA-N 1 2 229.320 1.077 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCC(C)CC1)[C@@H](C)O ZINC000191021511 386199876 /nfs/dbraw/zinc/19/98/76/386199876.db2.gz AEVBQRRRZHHOLJ-VGRIYTJTSA-N 1 2 229.320 1.077 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1ccco1 ZINC000276443884 386324166 /nfs/dbraw/zinc/32/41/66/386324166.db2.gz AEEWGQNCEXJNSI-UHFFFAOYSA-N 1 2 233.271 1.262 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)nc1 ZINC000276213622 386285945 /nfs/dbraw/zinc/28/59/45/386285945.db2.gz KXVQZYAZDGLCTG-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)nc1 ZINC000276213622 386285948 /nfs/dbraw/zinc/28/59/48/386285948.db2.gz KXVQZYAZDGLCTG-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Nc1cc(CN2CCOCC(F)(F)C2)cc[nH+]1 ZINC000289349441 386287437 /nfs/dbraw/zinc/28/74/37/386287437.db2.gz FZXMWOKCSDKXPT-UHFFFAOYSA-N 1 2 243.257 1.131 20 0 BDADLO Cc1ccc2[nH+]c(CNCC(F)F)cn2c1 ZINC000298083560 386294995 /nfs/dbraw/zinc/29/49/95/386294995.db2.gz MADXXOQYGXUFIB-UHFFFAOYSA-N 1 2 225.242 1.997 20 0 BDADLO Cc1occc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000414399442 386296370 /nfs/dbraw/zinc/29/63/70/386296370.db2.gz SRHNMFWUZOTGHO-RBIVETJNSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1occc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000414399442 386296376 /nfs/dbraw/zinc/29/63/76/386296376.db2.gz SRHNMFWUZOTGHO-RBIVETJNSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000289413237 386301608 /nfs/dbraw/zinc/30/16/08/386301608.db2.gz AMGLEJJNQPANLD-VIFPVBQESA-N 1 2 238.335 1.111 20 0 BDADLO Cc1occc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000335266890 386305840 /nfs/dbraw/zinc/30/58/40/386305840.db2.gz ZFTNOZVTSIGQOG-QFYYESIMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1occc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000335266890 386305843 /nfs/dbraw/zinc/30/58/43/386305843.db2.gz ZFTNOZVTSIGQOG-QFYYESIMSA-N 1 2 241.356 1.931 20 0 BDADLO Cn1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)n1 ZINC000265223403 386317431 /nfs/dbraw/zinc/31/74/31/386317431.db2.gz HOIHHHGFURYOEG-CYBMUJFWSA-N 1 2 249.289 1.382 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnn(C)n1 ZINC000289537377 386323734 /nfs/dbraw/zinc/32/37/34/386323734.db2.gz CGUNHKQBYPFEGX-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnn(C)n1 ZINC000289537377 386323738 /nfs/dbraw/zinc/32/37/38/386323738.db2.gz CGUNHKQBYPFEGX-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO CO[C@H](CNC(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000297653473 386268412 /nfs/dbraw/zinc/26/84/12/386268412.db2.gz DTVDFJOCLKVSRD-GFCCVEGCSA-N 1 2 249.314 1.937 20 0 BDADLO CC(C)[C@@H](NC(=O)N(C)C)c1[nH]cc[nH+]1 ZINC000289168804 386269555 /nfs/dbraw/zinc/26/95/55/386269555.db2.gz IUYRONMTMZWLRN-MRVPVSSYSA-N 1 2 210.281 1.378 20 0 BDADLO CC(C)(C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297679521 386272313 /nfs/dbraw/zinc/27/23/13/386272313.db2.gz GVMOSGSSKJCPKA-UHFFFAOYSA-N 1 2 245.282 1.888 20 0 BDADLO Cc1nocc1C[NH2+]Cc1nnc2ccccn21 ZINC000339169428 386275867 /nfs/dbraw/zinc/27/58/67/386275867.db2.gz GGGDNNRFURUTIA-UHFFFAOYSA-N 1 2 243.270 1.316 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1csnn1 ZINC000289245455 386277282 /nfs/dbraw/zinc/27/72/82/386277282.db2.gz DXFLZDZBEBRLRZ-ZETCQYMHSA-N 1 2 201.295 1.005 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1csnn1 ZINC000289245455 386277284 /nfs/dbraw/zinc/27/72/84/386277284.db2.gz DXFLZDZBEBRLRZ-ZETCQYMHSA-N 1 2 201.295 1.005 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000339278716 386339769 /nfs/dbraw/zinc/33/97/69/386339769.db2.gz AUPWQRBXTCCEFK-NSHDSACASA-N 1 2 224.308 1.080 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1cn(C(C)C)nn1 ZINC000339278716 386339772 /nfs/dbraw/zinc/33/97/72/386339772.db2.gz AUPWQRBXTCCEFK-NSHDSACASA-N 1 2 224.308 1.080 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@](C)(F)C1 ZINC000347347982 386343522 /nfs/dbraw/zinc/34/35/22/386343522.db2.gz JTNHBEHOEHXQQP-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CC[C@](C)(F)C1 ZINC000347347982 386343526 /nfs/dbraw/zinc/34/35/26/386343526.db2.gz JTNHBEHOEHXQQP-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO CSC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276568816 386346522 /nfs/dbraw/zinc/34/65/22/386346522.db2.gz KALUEHOQTSONAK-MPJRPATESA-N 1 2 225.317 1.291 20 0 BDADLO COC[C@H]([NH2+]Cc1ccnc(C)n1)c1ccco1 ZINC000339291707 386346562 /nfs/dbraw/zinc/34/65/62/386346562.db2.gz WAFKOZRYGOPFRE-LBPRGKRZSA-N 1 2 247.298 1.855 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000298460852 386349849 /nfs/dbraw/zinc/34/98/49/386349849.db2.gz LLCWTAWVOREOHZ-NSHDSACASA-N 1 2 235.331 1.343 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000298460852 386349856 /nfs/dbraw/zinc/34/98/56/386349856.db2.gz LLCWTAWVOREOHZ-NSHDSACASA-N 1 2 235.331 1.343 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2csnn2)[C@H](C)C1 ZINC000336688263 386351372 /nfs/dbraw/zinc/35/13/72/386351372.db2.gz LLCUQOIPUUEFDO-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2csnn2)[C@H](C)C1 ZINC000336688263 386351375 /nfs/dbraw/zinc/35/13/75/386351375.db2.gz LLCUQOIPUUEFDO-SCZZXKLOSA-N 1 2 227.333 1.537 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cnn(C)n2)s1 ZINC000289778646 386354863 /nfs/dbraw/zinc/35/48/63/386354863.db2.gz KTQGMXNYAPCVEZ-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cnn(C)n2)s1 ZINC000289778646 386354872 /nfs/dbraw/zinc/35/48/72/386354872.db2.gz KTQGMXNYAPCVEZ-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CC(C)=CCNC(=O)NCc1[nH+]ccn1C ZINC000276635994 386356987 /nfs/dbraw/zinc/35/69/87/386356987.db2.gz WNYJWKBEEAZQAY-UHFFFAOYSA-N 1 2 222.292 1.186 20 0 BDADLO CCc1nc(CN2CCc3[nH+]c[nH]c3C2)cs1 ZINC000647933546 386364977 /nfs/dbraw/zinc/36/49/77/386364977.db2.gz SKIXYESWFPMMMV-UHFFFAOYSA-N 1 2 248.355 1.987 20 0 BDADLO CCO[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265749357 386365955 /nfs/dbraw/zinc/36/59/55/386365955.db2.gz IWLQMFVRSTYJSH-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO Cc1nnc([C@H](C)[NH+]2CCC(O)CC2)s1 ZINC000347370746 386367950 /nfs/dbraw/zinc/36/79/50/386367950.db2.gz XRTLWUMIKGGDOJ-ZETCQYMHSA-N 1 2 227.333 1.364 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)nn1C ZINC000336695113 386370901 /nfs/dbraw/zinc/37/09/01/386370901.db2.gz FREWAKCARXIODV-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)nn1C ZINC000336695113 386370906 /nfs/dbraw/zinc/37/09/06/386370906.db2.gz FREWAKCARXIODV-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)nn1C ZINC000336695092 386371771 /nfs/dbraw/zinc/37/17/71/386371771.db2.gz FREWAKCARXIODV-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)nn1C ZINC000336695092 386371776 /nfs/dbraw/zinc/37/17/76/386371776.db2.gz FREWAKCARXIODV-MNOVXSKESA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000289920254 386372132 /nfs/dbraw/zinc/37/21/32/386372132.db2.gz ONBCRLYUNJIELF-GFCCVEGCSA-N 1 2 231.303 1.362 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000289920254 386372138 /nfs/dbraw/zinc/37/21/38/386372138.db2.gz ONBCRLYUNJIELF-GFCCVEGCSA-N 1 2 231.303 1.362 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ncnn1C ZINC000276756872 386372310 /nfs/dbraw/zinc/37/23/10/386372310.db2.gz UGLJKIQLZNGKTB-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347385847 386375386 /nfs/dbraw/zinc/37/53/86/386375386.db2.gz PJJDQDTYJVDRNC-LBPRGKRZSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347385847 386375390 /nfs/dbraw/zinc/37/53/90/386375390.db2.gz PJJDQDTYJVDRNC-LBPRGKRZSA-N 1 2 230.327 1.727 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000289951197 386375881 /nfs/dbraw/zinc/37/58/81/386375881.db2.gz XXHZOKLPXSKZSD-LBPRGKRZSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000289951197 386375887 /nfs/dbraw/zinc/37/58/87/386375887.db2.gz XXHZOKLPXSKZSD-LBPRGKRZSA-N 1 2 241.310 1.025 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1Cc1cccn1C ZINC000276784271 386376084 /nfs/dbraw/zinc/37/60/84/386376084.db2.gz JUOLUGVSUOQFCZ-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1cccn1C ZINC000276784271 386376088 /nfs/dbraw/zinc/37/60/88/386376088.db2.gz JUOLUGVSUOQFCZ-SNVBAGLBSA-N 1 2 231.303 1.193 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CC[C@H]1CCCCO1 ZINC000347386116 386377436 /nfs/dbraw/zinc/37/74/36/386377436.db2.gz AVRBUNFEEYVOGU-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276507993 386336294 /nfs/dbraw/zinc/33/62/94/386336294.db2.gz ARNRASNOUNDVAA-SNAWJCMRSA-N 1 2 235.287 1.154 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCc1ccccc1 ZINC000366663756 386336362 /nfs/dbraw/zinc/33/63/62/386336362.db2.gz NZBZFNGVBMHJBZ-LBPRGKRZSA-N 1 2 241.281 1.931 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCc1ccccc1 ZINC000366663756 386336369 /nfs/dbraw/zinc/33/63/69/386336369.db2.gz NZBZFNGVBMHJBZ-LBPRGKRZSA-N 1 2 241.281 1.931 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000343221556 386436645 /nfs/dbraw/zinc/43/66/45/386436645.db2.gz DGYHTCANRKLJNU-NSHDSACASA-N 1 2 221.304 1.530 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000290572919 386452518 /nfs/dbraw/zinc/45/25/18/386452518.db2.gz YQWVIDYNTSSTMX-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CCCCO2)nn1C ZINC000336712211 386437306 /nfs/dbraw/zinc/43/73/06/386437306.db2.gz RQESEWUIQNNSMV-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CCCCO2)nn1C ZINC000336712211 386437309 /nfs/dbraw/zinc/43/73/09/386437309.db2.gz RQESEWUIQNNSMV-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000290572919 386452526 /nfs/dbraw/zinc/45/25/26/386452526.db2.gz YQWVIDYNTSSTMX-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000290449759 386437387 /nfs/dbraw/zinc/43/73/87/386437387.db2.gz ONQJDHWGVXFLBM-VHSXEESVSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000290449759 386437389 /nfs/dbraw/zinc/43/73/89/386437389.db2.gz ONQJDHWGVXFLBM-VHSXEESVSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCSC[C@H]1C ZINC000290472678 386438519 /nfs/dbraw/zinc/43/85/19/386438519.db2.gz QHACUQYWSNPVQU-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCSC[C@H]1C ZINC000290472678 386438523 /nfs/dbraw/zinc/43/85/23/386438523.db2.gz QHACUQYWSNPVQU-SECBINFHSA-N 1 2 211.334 1.655 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H]1C ZINC000519422588 386440233 /nfs/dbraw/zinc/44/02/33/386440233.db2.gz ZJRHZHDZNKPISD-BBBLOLIVSA-N 1 2 221.304 1.361 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H]1C ZINC000519422588 386440242 /nfs/dbraw/zinc/44/02/42/386440242.db2.gz ZJRHZHDZNKPISD-BBBLOLIVSA-N 1 2 221.304 1.361 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ncc(C)o1 ZINC000266505754 386443161 /nfs/dbraw/zinc/44/31/61/386443161.db2.gz BSBMEUUALPOEBA-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ncc(C)o1 ZINC000266505754 386443170 /nfs/dbraw/zinc/44/31/70/386443170.db2.gz BSBMEUUALPOEBA-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](F)C(F)(F)F ZINC000290480001 386443241 /nfs/dbraw/zinc/44/32/41/386443241.db2.gz ZUHJLHHCYYWOCQ-LURJTMIESA-N 1 2 239.172 1.235 20 0 BDADLO Cc1nc(N2CCC3(C2)CCOCC3)cc[nH+]1 ZINC000266490548 386443692 /nfs/dbraw/zinc/44/36/92/386443692.db2.gz SFHWTZFNZFQMLM-UHFFFAOYSA-N 1 2 233.315 1.792 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000299404824 386448709 /nfs/dbraw/zinc/44/87/09/386448709.db2.gz SLFKARIAEXLWIP-ZDUSSCGKSA-N 1 2 249.314 1.191 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccnc(N)c1 ZINC000299404824 386448714 /nfs/dbraw/zinc/44/87/14/386448714.db2.gz SLFKARIAEXLWIP-ZDUSSCGKSA-N 1 2 249.314 1.191 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000339474233 386448907 /nfs/dbraw/zinc/44/89/07/386448907.db2.gz WYAAEUDGIYZFRA-MNOVXSKESA-N 1 2 247.342 1.782 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2nc(C)no2)ccn1 ZINC000347554740 386450916 /nfs/dbraw/zinc/45/09/16/386450916.db2.gz GCIRWQDWNKXKAT-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO C[C@@H](O)CNc1cc(N(C)C2CCC2)nc[nH+]1 ZINC000298815761 386387979 /nfs/dbraw/zinc/38/79/79/386387979.db2.gz GFPWZFZBWDYLHZ-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@@H](O)CNc1cc(N(C)C2CCC2)[nH+]cn1 ZINC000298815761 386387982 /nfs/dbraw/zinc/38/79/82/386387982.db2.gz GFPWZFZBWDYLHZ-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000336704717 386392145 /nfs/dbraw/zinc/39/21/45/386392145.db2.gz NMVSDOGKIPOAJM-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000336704717 386392152 /nfs/dbraw/zinc/39/21/52/386392152.db2.gz NMVSDOGKIPOAJM-SECBINFHSA-N 1 2 237.303 1.415 20 0 BDADLO Cc1cnn(CCSCCn2cc[nH+]c2)c1 ZINC000340613175 386396072 /nfs/dbraw/zinc/39/60/72/386396072.db2.gz DCNDUAKZWGLHNN-UHFFFAOYSA-N 1 2 236.344 1.821 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2=O)o1 ZINC000336705504 386396748 /nfs/dbraw/zinc/39/67/48/386396748.db2.gz HYQOJQGHWDRYOI-CYBMUJFWSA-N 1 2 248.326 1.783 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2=O)o1 ZINC000336705504 386396755 /nfs/dbraw/zinc/39/67/55/386396755.db2.gz HYQOJQGHWDRYOI-CYBMUJFWSA-N 1 2 248.326 1.783 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000347450762 386409587 /nfs/dbraw/zinc/40/95/87/386409587.db2.gz JUTNATZJVCPICH-GRYCIOLGSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)C(C)(C)O)cn2c1 ZINC000277142315 386412078 /nfs/dbraw/zinc/41/20/78/386412078.db2.gz PHKQNFMOFRXRFL-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO CCOC1CC([N@H+](C)Cc2ncnn2CC)C1 ZINC000347455375 386412351 /nfs/dbraw/zinc/41/23/51/386412351.db2.gz NMNVZSQTOFEUQS-UHFFFAOYSA-N 1 2 238.335 1.297 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2ncnn2CC)C1 ZINC000347455375 386412353 /nfs/dbraw/zinc/41/23/53/386412353.db2.gz NMNVZSQTOFEUQS-UHFFFAOYSA-N 1 2 238.335 1.297 20 0 BDADLO C/C(=C\C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000299090921 386412582 /nfs/dbraw/zinc/41/25/82/386412582.db2.gz TYCWRZLYVNVSSS-PFEDMVJOSA-N 1 2 233.315 1.744 20 0 BDADLO CC(C)C(=O)CC[N@H+](C)Cc1ccon1 ZINC000290247890 386412762 /nfs/dbraw/zinc/41/27/62/386412762.db2.gz JRJURQIVXILZKT-UHFFFAOYSA-N 1 2 210.277 1.722 20 0 BDADLO CC(C)C(=O)CC[N@@H+](C)Cc1ccon1 ZINC000290247890 386412768 /nfs/dbraw/zinc/41/27/68/386412768.db2.gz JRJURQIVXILZKT-UHFFFAOYSA-N 1 2 210.277 1.722 20 0 BDADLO CN(C)c1ccc(CNC(=O)/C=C/C2CC2)c[nH+]1 ZINC000266271581 386419021 /nfs/dbraw/zinc/41/90/21/386419021.db2.gz QFFQHJCMROQHHU-SOFGYWHQSA-N 1 2 245.326 1.730 20 0 BDADLO COc1cccc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000647933891 386421057 /nfs/dbraw/zinc/42/10/57/386421057.db2.gz KOKGVAJKKDQUBA-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO CON(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000277265556 386421331 /nfs/dbraw/zinc/42/13/31/386421331.db2.gz RBEFWVJGQCUVIT-UHFFFAOYSA-N 1 2 248.286 1.346 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000290382640 386425399 /nfs/dbraw/zinc/42/53/99/386425399.db2.gz IRDZFIJBKIQTHB-ZJUUUORDSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000290382640 386425410 /nfs/dbraw/zinc/42/54/10/386425410.db2.gz IRDZFIJBKIQTHB-ZJUUUORDSA-N 1 2 209.293 1.327 20 0 BDADLO O=C(/C=C/C1CC1)NCCCNc1cccc[nH+]1 ZINC000266329543 386426616 /nfs/dbraw/zinc/42/66/16/386426616.db2.gz RROOOMWZXGWRTI-BQYQJAHWSA-N 1 2 245.326 1.966 20 0 BDADLO CCCCCOCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347505993 386428447 /nfs/dbraw/zinc/42/84/47/386428447.db2.gz AAOLPLQORZGENI-UHFFFAOYSA-N 1 2 239.319 1.575 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000339439905 386433277 /nfs/dbraw/zinc/43/32/77/386433277.db2.gz VJRIENSXEYBURF-GXFFZTMASA-N 1 2 235.331 1.815 20 0 BDADLO C[C@H](CO)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290697152 386468637 /nfs/dbraw/zinc/46/86/37/386468637.db2.gz NCACIFOHQSRWKC-SECBINFHSA-N 1 2 248.286 1.179 20 0 BDADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339563345 386478317 /nfs/dbraw/zinc/47/83/17/386478317.db2.gz KPMOENMIKHIOKC-QWRGUYRKSA-N 1 2 248.326 1.974 20 0 BDADLO COc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339563345 386478322 /nfs/dbraw/zinc/47/83/22/386478322.db2.gz KPMOENMIKHIOKC-QWRGUYRKSA-N 1 2 248.326 1.974 20 0 BDADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339563344 386478648 /nfs/dbraw/zinc/47/86/48/386478648.db2.gz KPMOENMIKHIOKC-MNOVXSKESA-N 1 2 248.326 1.974 20 0 BDADLO COc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339563344 386478655 /nfs/dbraw/zinc/47/86/55/386478655.db2.gz KPMOENMIKHIOKC-MNOVXSKESA-N 1 2 248.326 1.974 20 0 BDADLO Cc1cnn([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)c1 ZINC000290935502 386490620 /nfs/dbraw/zinc/49/06/20/386490620.db2.gz ZIPMCUCPZVPUHH-GFCCVEGCSA-N 1 2 243.314 1.741 20 0 BDADLO CC(C)N(CC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC000278172227 386496928 /nfs/dbraw/zinc/49/69/28/386496928.db2.gz QFVMSZCAMPAAKM-UHFFFAOYSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@H](C[N@H+](C)Cc1nnn(C)n1)c1ccccc1 ZINC000336783777 386507541 /nfs/dbraw/zinc/50/75/41/386507541.db2.gz FJJRJRYWDCACLL-LLVKDONJSA-N 1 2 245.330 1.446 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1nnn(C)n1)c1ccccc1 ZINC000336783777 386507547 /nfs/dbraw/zinc/50/75/47/386507547.db2.gz FJJRJRYWDCACLL-LLVKDONJSA-N 1 2 245.330 1.446 20 0 BDADLO CC[N@H+](CCc1c(C)noc1C)CC(=O)OC ZINC000339662641 386509531 /nfs/dbraw/zinc/50/95/31/386509531.db2.gz LANGKFBFWWKBLC-UHFFFAOYSA-N 1 2 240.303 1.329 20 0 BDADLO CC[N@@H+](CCc1c(C)noc1C)CC(=O)OC ZINC000339662641 386509540 /nfs/dbraw/zinc/50/95/40/386509540.db2.gz LANGKFBFWWKBLC-UHFFFAOYSA-N 1 2 240.303 1.329 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267195293 386509751 /nfs/dbraw/zinc/50/97/51/386509751.db2.gz NLIQPBKNZJARQU-GZMMTYOYSA-N 1 2 238.718 1.961 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267195293 386509756 /nfs/dbraw/zinc/50/97/56/386509756.db2.gz NLIQPBKNZJARQU-GZMMTYOYSA-N 1 2 238.718 1.961 20 0 BDADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H](O)c1cccc(F)c1 ZINC000267202237 386510376 /nfs/dbraw/zinc/51/03/76/386510376.db2.gz OTCXHHHBZILVSA-TVQRCGJNSA-N 1 2 249.289 1.761 20 0 BDADLO CCCCN(CC)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339671410 386510908 /nfs/dbraw/zinc/51/09/08/386510908.db2.gz IFURVZNEUMWLOU-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339671409 386513346 /nfs/dbraw/zinc/51/33/46/386513346.db2.gz IFURVZNEUMWLOU-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CC(C)=CC(=O)N(C)Cc1[nH+]ccn1C ZINC000061512825 386517530 /nfs/dbraw/zinc/51/75/30/386517530.db2.gz DZWWJTNUMPUELI-UHFFFAOYSA-N 1 2 207.277 1.345 20 0 BDADLO C[C@H](C(=O)NCCC(C)(C)C)[NH+]1CCOCC1 ZINC000339681104 386519900 /nfs/dbraw/zinc/51/99/00/386519900.db2.gz XPIXOAWJQGUDMT-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@H](C)C[C@@H]1C ZINC000519644975 386522322 /nfs/dbraw/zinc/52/23/22/386522322.db2.gz JVGIBHPHGONUFJ-LPEHRKFASA-N 1 2 221.304 1.598 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@H](C)C[C@@H]1C ZINC000519644975 386522328 /nfs/dbraw/zinc/52/23/28/386522328.db2.gz JVGIBHPHGONUFJ-LPEHRKFASA-N 1 2 221.304 1.598 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)CC(=O)N(C)C ZINC000278412338 386523814 /nfs/dbraw/zinc/52/38/14/386523814.db2.gz HGBDGMADYVNOIY-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)CC(=O)N(C)C ZINC000278412338 386523819 /nfs/dbraw/zinc/52/38/19/386523819.db2.gz HGBDGMADYVNOIY-UHFFFAOYSA-N 1 2 239.294 1.049 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nnc(C2CC2)o1 ZINC000290591074 386455190 /nfs/dbraw/zinc/45/51/90/386455190.db2.gz XJWBJOUDEFEQLQ-QMMMGPOBSA-N 1 2 233.275 1.644 20 0 BDADLO CC(C)c1noc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000290591182 386456117 /nfs/dbraw/zinc/45/61/17/386456117.db2.gz XLSMZYJXLVOAMM-SECBINFHSA-N 1 2 235.291 1.890 20 0 BDADLO Cc1c[nH]c(=NCC[N@H+]2CCOC[C@@H]2C)s1 ZINC000336778595 386464904 /nfs/dbraw/zinc/46/49/04/386464904.db2.gz LSXBPCHXKRYMQU-VIFPVBQESA-N 1 2 241.360 1.006 20 0 BDADLO Cc1c[nH]c(=NCC[N@@H+]2CCOC[C@@H]2C)s1 ZINC000336778595 386464907 /nfs/dbraw/zinc/46/49/07/386464907.db2.gz LSXBPCHXKRYMQU-VIFPVBQESA-N 1 2 241.360 1.006 20 0 BDADLO CC(C)(C)c1ncc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000310802170 386465184 /nfs/dbraw/zinc/46/51/84/386465184.db2.gz YMYVWODIPQSTHO-UHFFFAOYSA-N 1 2 245.330 1.787 20 0 BDADLO CCC[C@H]([NH2+]CC1(C)COC1)C(=O)OCC ZINC000097988468 386575760 /nfs/dbraw/zinc/57/57/60/386575760.db2.gz BWJZJXRUBAGMGO-JTQLQIEISA-N 1 2 229.320 1.344 20 0 BDADLO CC[C@H]1CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000291738466 386576990 /nfs/dbraw/zinc/57/69/90/386576990.db2.gz YJXUZEZDCBXUPG-MNOVXSKESA-N 1 2 236.319 1.466 20 0 BDADLO Cc1occc1C[N@H+]1CCN(CCO)C[C@@H]1C ZINC000414458728 386577690 /nfs/dbraw/zinc/57/76/90/386577690.db2.gz KUURKDXCKRJVBB-NSHDSACASA-N 1 2 238.331 1.086 20 0 BDADLO Cc1occc1C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000414458728 386577695 /nfs/dbraw/zinc/57/76/95/386577695.db2.gz KUURKDXCKRJVBB-NSHDSACASA-N 1 2 238.331 1.086 20 0 BDADLO CC[N@H+](CC(=O)NCC1CC1)Cc1ccccn1 ZINC000267922108 386598251 /nfs/dbraw/zinc/59/82/51/386598251.db2.gz NOPHVUFAIOMEES-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO CC[N@@H+](CC(=O)NCC1CC1)Cc1ccccn1 ZINC000267922108 386598261 /nfs/dbraw/zinc/59/82/61/386598261.db2.gz NOPHVUFAIOMEES-UHFFFAOYSA-N 1 2 247.342 1.430 20 0 BDADLO C[C@@H]1CCC[C@H](CNCC(F)(F)C[NH3+])C1 ZINC000414921620 386579275 /nfs/dbraw/zinc/57/92/75/386579275.db2.gz AVNYXWQSBCUWEB-ZJUUUORDSA-N 1 2 220.307 1.996 20 0 BDADLO Cn1c[nH+]cc1CSc1nnc(C2CC2)n1C ZINC000267759413 386580809 /nfs/dbraw/zinc/58/08/09/386580809.db2.gz IZPCYUMDNHOKBN-UHFFFAOYSA-N 1 2 249.343 1.718 20 0 BDADLO C[C@H]1[C@@H]([NH2+]Cc2csnn2)CCCN1C ZINC000336757273 386581536 /nfs/dbraw/zinc/58/15/36/386581536.db2.gz JZGWWQDRPRLLLT-WPRPVWTQSA-N 1 2 226.349 1.110 20 0 BDADLO C[C@H](Cc1ccc(F)cc1)[NH2+]CC(F)(F)CN ZINC000414921706 386585161 /nfs/dbraw/zinc/58/51/61/386585161.db2.gz BKZKKONVSBHGCS-SECBINFHSA-N 1 2 246.276 1.940 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000291849901 386591151 /nfs/dbraw/zinc/59/11/51/386591151.db2.gz OZOVWJSBUAMBIG-LLVKDONJSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000291849901 386591158 /nfs/dbraw/zinc/59/11/58/386591158.db2.gz OZOVWJSBUAMBIG-LLVKDONJSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cc(NC[C@@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000336738827 386595416 /nfs/dbraw/zinc/59/54/16/386595416.db2.gz KPOIXTMKQARMQS-KOLCDFICSA-N 1 2 221.304 1.291 20 0 BDADLO CC(C)c1nc(N2CC(=O)N(C)[C@@H](C)C2)cc[nH+]1 ZINC000336902672 386545954 /nfs/dbraw/zinc/54/59/54/386545954.db2.gz CKMHZCBTFJCDCB-JTQLQIEISA-N 1 2 248.330 1.267 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCc1cncs1 ZINC000519809015 386556353 /nfs/dbraw/zinc/55/63/53/386556353.db2.gz APZJHGMZCZGODC-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCc1cncs1 ZINC000519809015 386556359 /nfs/dbraw/zinc/55/63/59/386556359.db2.gz APZJHGMZCZGODC-UHFFFAOYSA-N 1 2 242.344 1.571 20 0 BDADLO COCc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000183890680 386558077 /nfs/dbraw/zinc/55/80/77/386558077.db2.gz ZSUTUIBLGODHEL-UHFFFAOYSA-N 1 2 245.269 1.550 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1cnn(C)c1 ZINC000425324430 386561178 /nfs/dbraw/zinc/56/11/78/386561178.db2.gz MOZOVQXWEBMKCY-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccccn2)C1 ZINC000267613695 386561768 /nfs/dbraw/zinc/56/17/68/386561768.db2.gz BVJSKTJNHLAWRO-LBPRGKRZSA-N 1 2 238.262 1.169 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccccn2)C1 ZINC000267613695 386561772 /nfs/dbraw/zinc/56/17/72/386561772.db2.gz BVJSKTJNHLAWRO-LBPRGKRZSA-N 1 2 238.262 1.169 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn[nH]c1C)[C@@H]1CCCO1 ZINC000278710774 386570557 /nfs/dbraw/zinc/57/05/57/386570557.db2.gz RTHJGSGLBHAGPC-NEPJUHHUSA-N 1 2 239.319 1.002 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NOC/C=C/Cl ZINC000291710475 386573766 /nfs/dbraw/zinc/57/37/66/386573766.db2.gz CZDMIFSWANOPBQ-GORDUTHDSA-N 1 2 243.694 1.153 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)C[C@H]1CCCCO1 ZINC000268172133 386625177 /nfs/dbraw/zinc/62/51/77/386625177.db2.gz QKQGRZQEKKKIEP-BDJLRTHQSA-N 1 2 242.344 1.238 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)Cc1ccccc1 ZINC000268144442 386625444 /nfs/dbraw/zinc/62/54/44/386625444.db2.gz IRJXMKDTAYWWCD-MRXNPFEDSA-N 1 2 234.324 1.869 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)C[C@@H]1CCCCO1 ZINC000268172137 386626023 /nfs/dbraw/zinc/62/60/23/386626023.db2.gz QKQGRZQEKKKIEP-MEDUHNTESA-N 1 2 242.344 1.238 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)CC1CCCC1 ZINC000268173442 386628550 /nfs/dbraw/zinc/62/85/50/386628550.db2.gz JSGFTDKGVRXLAI-UHFFFAOYSA-N 1 2 242.344 1.525 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC000336758579 386628684 /nfs/dbraw/zinc/62/86/84/386628684.db2.gz IHNMRCKLKVHXNH-OIBJUYFYSA-N 1 2 225.292 1.454 20 0 BDADLO COC[C@H]([NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC000336758581 386629423 /nfs/dbraw/zinc/62/94/23/386629423.db2.gz IHNMRCKLKVHXNH-XCBNKYQSSA-N 1 2 225.292 1.454 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCn2ncnc2C1 ZINC000328864650 386637479 /nfs/dbraw/zinc/63/74/79/386637479.db2.gz ZJSBGBDALZLZJE-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCn2ncnc2C1 ZINC000328864650 386637483 /nfs/dbraw/zinc/63/74/83/386637483.db2.gz ZJSBGBDALZLZJE-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1CN1CC(C)(C)OC1=O ZINC000179381373 386639282 /nfs/dbraw/zinc/63/92/82/386639282.db2.gz GAKVQQIUAHXSNA-SECBINFHSA-N 1 2 244.360 1.612 20 0 BDADLO C[C@@H]1CSCC[N@H+]1CN1CC(C)(C)OC1=O ZINC000179381373 386639288 /nfs/dbraw/zinc/63/92/88/386639288.db2.gz GAKVQQIUAHXSNA-SECBINFHSA-N 1 2 244.360 1.612 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)ncn1 ZINC000292256570 386641697 /nfs/dbraw/zinc/64/16/97/386641697.db2.gz VFFUBWHEDIRJRK-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)ncn1 ZINC000292256570 386641706 /nfs/dbraw/zinc/64/17/06/386641706.db2.gz VFFUBWHEDIRJRK-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO CC[C@@H](C)C[C@H](CO)Nc1cc(C)[nH+]cn1 ZINC000645355585 386652192 /nfs/dbraw/zinc/65/21/92/386652192.db2.gz MSJUZSKQMCVIIW-MWLCHTKSSA-N 1 2 223.320 1.994 20 0 BDADLO Cn1cccc1C[NH2+]C1(C(F)F)CC1 ZINC000336644935 386602339 /nfs/dbraw/zinc/60/23/39/386602339.db2.gz BACMUHVQUCBTOT-UHFFFAOYSA-N 1 2 200.232 1.912 20 0 BDADLO O=C(C=C1CCC1)NCCn1cc[nH+]c1 ZINC000267979749 386604083 /nfs/dbraw/zinc/60/40/83/386604083.db2.gz OJIWGGKTUAYWCO-UHFFFAOYSA-N 1 2 205.261 1.110 20 0 BDADLO COCc1cnc(C[NH2+][C@H](C)CF)s1 ZINC000336645271 386605421 /nfs/dbraw/zinc/60/54/21/386605421.db2.gz BJNRFWNYJNSFTD-SSDOTTSWSA-N 1 2 218.297 1.737 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+](CCO)C2CC2)[nH]1 ZINC000331445910 386607584 /nfs/dbraw/zinc/60/75/84/386607584.db2.gz FZNDFQFUXCLVLD-UHFFFAOYSA-N 1 2 238.335 1.059 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+](CCO)C2CC2)[nH]1 ZINC000331445910 386607593 /nfs/dbraw/zinc/60/75/93/386607593.db2.gz FZNDFQFUXCLVLD-UHFFFAOYSA-N 1 2 238.335 1.059 20 0 BDADLO CCC1(NC(=O)NCc2[nH+]ccn2C)CCC1 ZINC000268006481 386608032 /nfs/dbraw/zinc/60/80/32/386608032.db2.gz JHHWZYASUPKIBQ-UHFFFAOYSA-N 1 2 236.319 1.552 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]1C1CC1 ZINC000335491207 386609994 /nfs/dbraw/zinc/60/99/94/386609994.db2.gz LWTVLQXBDUMAPI-WCQYABFASA-N 1 2 245.326 1.456 20 0 BDADLO Cn1c[nH+]cc1COc1ccccc1OCCO ZINC000268058197 386612737 /nfs/dbraw/zinc/61/27/37/386612737.db2.gz BVUYRQSTGWUWOW-UHFFFAOYSA-N 1 2 248.282 1.370 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335494487 386614065 /nfs/dbraw/zinc/61/40/65/386614065.db2.gz JORHYOSPPOVFNH-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000292046587 386614133 /nfs/dbraw/zinc/61/41/33/386614133.db2.gz IRYADZKLPZHTNW-GFCCVEGCSA-N 1 2 247.342 1.909 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1O ZINC000335494487 386614071 /nfs/dbraw/zinc/61/40/71/386614071.db2.gz JORHYOSPPOVFNH-LDYMZIIASA-N 1 2 243.738 1.276 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H](F)C1 ZINC000335518572 386655291 /nfs/dbraw/zinc/65/52/91/386655291.db2.gz FSUBLSYCBABNRS-UWVGGRQHSA-N 1 2 239.294 1.658 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@H](F)C1 ZINC000335518572 386655297 /nfs/dbraw/zinc/65/52/97/386655297.db2.gz FSUBLSYCBABNRS-UWVGGRQHSA-N 1 2 239.294 1.658 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@H](C)[C@@H](C)O1 ZINC000525872193 386615452 /nfs/dbraw/zinc/61/54/52/386615452.db2.gz MMQOHCDGBGWWSI-GMTAPVOTSA-N 1 2 239.315 1.770 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@H](C)[C@@H](C)O1 ZINC000525872193 386615459 /nfs/dbraw/zinc/61/54/59/386615459.db2.gz MMQOHCDGBGWWSI-GMTAPVOTSA-N 1 2 239.315 1.770 20 0 BDADLO Cc1ncccc1N(C)C(=O)Cn1cc[nH+]c1 ZINC000520241923 386616745 /nfs/dbraw/zinc/61/67/45/386616745.db2.gz RAKANFSUSYXHKI-UHFFFAOYSA-N 1 2 230.271 1.250 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@](C)(O)C2)n1 ZINC000335495854 386618853 /nfs/dbraw/zinc/61/88/53/386618853.db2.gz OLXWKYXGUZIIHU-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@](C)(O)C2)n1 ZINC000335495854 386618857 /nfs/dbraw/zinc/61/88/57/386618857.db2.gz OLXWKYXGUZIIHU-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CO[C@H](C)c1noc(COc2cc[nH+]cc2)n1 ZINC000292397603 386663107 /nfs/dbraw/zinc/66/31/07/386663107.db2.gz IGEIWOQXAUMNMS-MRVPVSSYSA-N 1 2 235.243 1.751 20 0 BDADLO c1cn2c([nH+]1)CN(c1nnc(C3CC3)o1)CC2 ZINC000329398006 386663565 /nfs/dbraw/zinc/66/35/65/386663565.db2.gz VBPFIJZEQQOUDQ-UHFFFAOYSA-N 1 2 231.259 1.164 20 0 BDADLO CCn1nncc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000648059109 386675154 /nfs/dbraw/zinc/67/51/54/386675154.db2.gz XDMMTSFJQPSLKO-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO Nc1nc(NC2CCOCC2)[nH+]c2ccccc12 ZINC000301868208 386681386 /nfs/dbraw/zinc/68/13/86/386681386.db2.gz HWKICPBKOXXHGZ-UHFFFAOYSA-N 1 2 244.298 1.803 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@@H](C)OC)s1 ZINC000643420327 386681675 /nfs/dbraw/zinc/68/16/75/386681675.db2.gz LSFDYAPJLDMYAK-SECBINFHSA-N 1 2 243.376 1.957 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@@H](C)OC)s1 ZINC000643420327 386681678 /nfs/dbraw/zinc/68/16/78/386681678.db2.gz LSFDYAPJLDMYAK-SECBINFHSA-N 1 2 243.376 1.957 20 0 BDADLO CC[N@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000049832221 386658937 /nfs/dbraw/zinc/65/89/37/386658937.db2.gz BQSWGGHXHFVYJF-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO CC[N@@H+](CCO)Cc1nc(C(C)(C)C)no1 ZINC000049832221 386658944 /nfs/dbraw/zinc/65/89/44/386658944.db2.gz BQSWGGHXHFVYJF-UHFFFAOYSA-N 1 2 227.308 1.181 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CO1 ZINC000335481998 386709443 /nfs/dbraw/zinc/70/94/43/386709443.db2.gz UDCOPIABQBPMKF-ONGXEEELSA-N 1 2 245.282 1.242 20 0 BDADLO CN(CC(C)(C)C)C(=O)CCc1c[nH+]cn1C ZINC000279626585 386709960 /nfs/dbraw/zinc/70/99/60/386709960.db2.gz AEUFLSGUWRFDOY-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ncn(C)n1 ZINC000391899265 386692703 /nfs/dbraw/zinc/69/27/03/386692703.db2.gz DOJAXYRMLZFZKK-VHSXEESVSA-N 1 2 238.335 1.423 20 0 BDADLO Cc1ocnc1C(=O)NCCCCn1cc[nH+]c1 ZINC000520568204 386697652 /nfs/dbraw/zinc/69/76/52/386697652.db2.gz BVWUNZMJECNZRV-UHFFFAOYSA-N 1 2 248.286 1.390 20 0 BDADLO CC(C)n1nccc1C[N@H+](C)Cc1cnccn1 ZINC000279596022 386707902 /nfs/dbraw/zinc/70/79/02/386707902.db2.gz HZULXSJKPXZKFV-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO CC(C)n1nccc1C[N@@H+](C)Cc1cnccn1 ZINC000279596022 386707912 /nfs/dbraw/zinc/70/79/12/386707912.db2.gz HZULXSJKPXZKFV-UHFFFAOYSA-N 1 2 245.330 1.886 20 0 BDADLO Cc1nc(C)c(C(=O)N(C)Cc2[nH+]ccn2C)o1 ZINC000330479848 386730507 /nfs/dbraw/zinc/73/05/07/386730507.db2.gz QDPXCHNKMOXPBW-UHFFFAOYSA-N 1 2 248.286 1.297 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000292840839 386735459 /nfs/dbraw/zinc/73/54/59/386735459.db2.gz SBYWYMFIZJWRFO-SNVBAGLBSA-N 1 2 243.328 1.146 20 0 BDADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000292840839 386735465 /nfs/dbraw/zinc/73/54/65/386735465.db2.gz SBYWYMFIZJWRFO-SNVBAGLBSA-N 1 2 243.328 1.146 20 0 BDADLO CC[N@@H+](Cc1coc(C)n1)C[C@@H]1CCCO1 ZINC000647961331 386738600 /nfs/dbraw/zinc/73/86/00/386738600.db2.gz BCLCWHYVGCFPQQ-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[N@H+](Cc1coc(C)n1)C[C@@H]1CCCO1 ZINC000647961331 386738608 /nfs/dbraw/zinc/73/86/08/386738608.db2.gz BCLCWHYVGCFPQQ-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cn2cc(NC(=O)CC(C)(C)O)ccc2[nH+]1 ZINC000279655445 386713678 /nfs/dbraw/zinc/71/36/78/386713678.db2.gz YCARQIMUBGPEGI-UHFFFAOYSA-N 1 2 247.298 1.742 20 0 BDADLO COC(=O)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000330455238 386715264 /nfs/dbraw/zinc/71/52/64/386715264.db2.gz DFNPZEBHJJLKBU-UHFFFAOYSA-N 1 2 249.314 1.170 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cnn(C)c2C)[nH]1 ZINC000352847142 386715719 /nfs/dbraw/zinc/71/57/19/386715719.db2.gz WPZSZHVEGDXMRW-ZETCQYMHSA-N 1 2 234.307 1.006 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1[C@H](C)C1(F)F ZINC000334140240 386740114 /nfs/dbraw/zinc/74/01/14/386740114.db2.gz DLQBJDOFPLCZDP-OIBJUYFYSA-N 1 2 240.253 1.906 20 0 BDADLO Cc1ccnc(C[N@H+](CC(N)=O)C(C)(C)C)n1 ZINC000330456708 386719264 /nfs/dbraw/zinc/71/92/64/386719264.db2.gz GFTLTWHUWDDRSN-UHFFFAOYSA-N 1 2 236.319 1.921 20 0 BDADLO Cc1ccnc(C[N@@H+](CC(N)=O)C(C)(C)C)n1 ZINC000330456708 386719269 /nfs/dbraw/zinc/71/92/69/386719269.db2.gz GFTLTWHUWDDRSN-UHFFFAOYSA-N 1 2 236.319 1.921 20 0 BDADLO Cc1noc([C@H]2CCC[N@H+](Cc3cocn3)C2)n1 ZINC000191932811 386720691 /nfs/dbraw/zinc/72/06/91/386720691.db2.gz XLRBWYDKIGNKOR-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO Cc1noc([C@H]2CCC[N@@H+](Cc3cocn3)C2)n1 ZINC000191932811 386720700 /nfs/dbraw/zinc/72/07/00/386720700.db2.gz XLRBWYDKIGNKOR-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO CC(C)n1nccc1C[N@@H+]1CCOC[C@@H]1C ZINC000279685233 386721622 /nfs/dbraw/zinc/72/16/22/386721622.db2.gz QFHJPDHVMGJKOJ-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1nccc1C[N@H+]1CCOC[C@@H]1C ZINC000279685233 386721629 /nfs/dbraw/zinc/72/16/29/386721629.db2.gz QFHJPDHVMGJKOJ-NSHDSACASA-N 1 2 223.320 1.685 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1cccn1C ZINC000414491388 386721704 /nfs/dbraw/zinc/72/17/04/386721704.db2.gz PXOOXPXWSNDBSU-LBPRGKRZSA-N 1 2 236.315 1.456 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000268946202 386724386 /nfs/dbraw/zinc/72/43/86/386724386.db2.gz BIXLHPXCWGLSGT-OLZOCXBDSA-N 1 2 242.326 1.803 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000268946202 386724391 /nfs/dbraw/zinc/72/43/91/386724391.db2.gz BIXLHPXCWGLSGT-OLZOCXBDSA-N 1 2 242.326 1.803 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccccn2)cn1 ZINC000248145936 386747644 /nfs/dbraw/zinc/74/76/44/386747644.db2.gz VTLHPSBIHFRCSK-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccccn2)cn1 ZINC000248145936 386747651 /nfs/dbraw/zinc/74/76/51/386747651.db2.gz VTLHPSBIHFRCSK-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO CC1(C)CCC[N@H+](CCc2cnn[nH]2)CC1 ZINC000647965298 386749118 /nfs/dbraw/zinc/74/91/18/386749118.db2.gz QMWVDMVSDRVVRT-UHFFFAOYSA-N 1 2 222.336 1.859 20 0 BDADLO CC1(C)CCC[N@@H+](CCc2cnn[nH]2)CC1 ZINC000647965298 386749121 /nfs/dbraw/zinc/74/91/21/386749121.db2.gz QMWVDMVSDRVVRT-UHFFFAOYSA-N 1 2 222.336 1.859 20 0 BDADLO CCCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000248272106 386752794 /nfs/dbraw/zinc/75/27/94/386752794.db2.gz ZYLIQKQGALCDEQ-UHFFFAOYSA-N 1 2 244.298 1.797 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329644554 386753850 /nfs/dbraw/zinc/75/38/50/386753850.db2.gz ILFDAZGTLBWENB-SMDDNHRTSA-N 1 2 246.310 1.431 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1ccncc1 ZINC000357297625 386754655 /nfs/dbraw/zinc/75/46/55/386754655.db2.gz GIPSUFQITYJDPQ-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2CC(N)=O)no1 ZINC000330448658 386742217 /nfs/dbraw/zinc/74/22/17/386742217.db2.gz IRMAEZLLQNPIDX-VIFPVBQESA-N 1 2 238.291 1.658 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2CC(N)=O)no1 ZINC000330448658 386742223 /nfs/dbraw/zinc/74/22/23/386742223.db2.gz IRMAEZLLQNPIDX-VIFPVBQESA-N 1 2 238.291 1.658 20 0 BDADLO Cn1ccnc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000269055161 386743978 /nfs/dbraw/zinc/74/39/78/386743978.db2.gz YUFQTQJVQRYUQQ-LLVKDONJSA-N 1 2 245.330 1.870 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2cnccc2C)[N@H+](C)C1 ZINC000330568966 386790828 /nfs/dbraw/zinc/79/08/28/386790828.db2.gz NNXDJDIQIHFDMS-JQWIXIFHSA-N 1 2 249.314 1.048 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2cnccc2C)[N@@H+](C)C1 ZINC000330568966 386790830 /nfs/dbraw/zinc/79/08/30/386790830.db2.gz NNXDJDIQIHFDMS-JQWIXIFHSA-N 1 2 249.314 1.048 20 0 BDADLO CC[C@H](SC)C(=O)NCc1[nH+]ccn1C ZINC000269457586 386795351 /nfs/dbraw/zinc/79/53/51/386795351.db2.gz FIQJNJWCOZDPPM-QMMMGPOBSA-N 1 2 227.333 1.178 20 0 BDADLO COCC(=O)CSc1[nH+]cc2ccccn21 ZINC000280012857 386770296 /nfs/dbraw/zinc/77/02/96/386770296.db2.gz STDMMOOTUBBTMV-UHFFFAOYSA-N 1 2 236.296 1.642 20 0 BDADLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCNC1=O ZINC000269273154 386770750 /nfs/dbraw/zinc/77/07/50/386770750.db2.gz KJBRJLNIZVANRH-QMMMGPOBSA-N 1 2 244.747 1.722 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCNC1=O ZINC000269273154 386770757 /nfs/dbraw/zinc/77/07/57/386770757.db2.gz KJBRJLNIZVANRH-QMMMGPOBSA-N 1 2 244.747 1.722 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1F ZINC000340782326 386771111 /nfs/dbraw/zinc/77/11/11/386771111.db2.gz NEFDQAXDBYWZMI-BDAKNGLRSA-N 1 2 225.267 1.349 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]1F ZINC000340778092 386772303 /nfs/dbraw/zinc/77/23/03/386772303.db2.gz JEOWPTDQLQIXJH-UWVGGRQHSA-N 1 2 225.267 1.280 20 0 BDADLO C[N@H+](CC(N)=O)Cc1c[nH]nc1C(C)(C)C ZINC000330569436 386789218 /nfs/dbraw/zinc/78/92/18/386789218.db2.gz HVFWZXIKIPFPCO-UHFFFAOYSA-N 1 2 224.308 1.674 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1c[nH]nc1C(C)(C)C ZINC000330569436 386789228 /nfs/dbraw/zinc/78/92/28/386789228.db2.gz HVFWZXIKIPFPCO-UHFFFAOYSA-N 1 2 224.308 1.674 20 0 BDADLO Cc1cc(C)n(CC[N@@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000283193176 386824705 /nfs/dbraw/zinc/82/47/05/386824705.db2.gz QPWHCMVZVJBSAH-JTQLQIEISA-N 1 2 235.331 1.411 20 0 BDADLO Cc1cc(C)n(CC[N@H+]2CCC(=O)[C@@H](C)C2)n1 ZINC000283193176 386824713 /nfs/dbraw/zinc/82/47/13/386824713.db2.gz QPWHCMVZVJBSAH-JTQLQIEISA-N 1 2 235.331 1.411 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)C[C@H](C)O)cc[nH+]1 ZINC000340983793 386822309 /nfs/dbraw/zinc/82/23/09/386822309.db2.gz FHHXBXFHYJAJGF-ZJUUUORDSA-N 1 2 237.303 1.093 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000458112024 386822970 /nfs/dbraw/zinc/82/29/70/386822970.db2.gz VBESDLDEGCSGSF-GRYCIOLGSA-N 1 2 247.342 1.606 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cc(C)ncn2)CCO1 ZINC000293288756 386798170 /nfs/dbraw/zinc/79/81/70/386798170.db2.gz UGFUMSBTFOKUTL-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)CCO1 ZINC000293288756 386798173 /nfs/dbraw/zinc/79/81/73/386798173.db2.gz UGFUMSBTFOKUTL-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414935248 386806455 /nfs/dbraw/zinc/80/64/55/386806455.db2.gz VBSCTBGJBFTSJK-UHFFFAOYSA-N 1 2 206.280 1.749 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](C)c2cccnc2)n1C ZINC000341004718 386814856 /nfs/dbraw/zinc/81/48/56/386814856.db2.gz ADTZEQIGMJFTPL-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Cn1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)n1 ZINC000334749335 386815077 /nfs/dbraw/zinc/81/50/77/386815077.db2.gz MJYQNLQEQFBLSJ-QWHCGFSZSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)n1 ZINC000334749335 386815082 /nfs/dbraw/zinc/81/50/82/386815082.db2.gz MJYQNLQEQFBLSJ-QWHCGFSZSA-N 1 2 249.358 1.810 20 0 BDADLO CN(CCN1CCCC1=O)c1cccc[nH+]1 ZINC000301244793 386828065 /nfs/dbraw/zinc/82/80/65/386828065.db2.gz PQWUCVVBZIEIDU-UHFFFAOYSA-N 1 2 219.288 1.140 20 0 BDADLO COc1ncccc1CNCc1[nH+]cc(C)n1C ZINC000341086361 386833499 /nfs/dbraw/zinc/83/34/99/386833499.db2.gz COLVVLHQMTVMPT-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ncc(C)n1C ZINC000341086361 386833503 /nfs/dbraw/zinc/83/35/03/386833503.db2.gz COLVVLHQMTVMPT-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1ncncc1C[N@@H+]1CCS[C@H](C)C1 ZINC000648006586 386836768 /nfs/dbraw/zinc/83/67/68/386836768.db2.gz NCDLBXLJWPALSF-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO COc1ncncc1C[N@H+]1CCS[C@H](C)C1 ZINC000648006586 386836773 /nfs/dbraw/zinc/83/67/73/386836773.db2.gz NCDLBXLJWPALSF-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO C[C@H](O)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000249591772 386839334 /nfs/dbraw/zinc/83/93/34/386839334.db2.gz PFGIXNZITLFHQO-IUCAKERBSA-N 1 2 244.385 1.614 20 0 BDADLO C[C@H](O)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000249591772 386839341 /nfs/dbraw/zinc/83/93/41/386839341.db2.gz PFGIXNZITLFHQO-IUCAKERBSA-N 1 2 244.385 1.614 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC=C(C)C1 ZINC000280713839 386839808 /nfs/dbraw/zinc/83/98/08/386839808.db2.gz DXAJYBYZUUJDNX-ZDUSSCGKSA-N 1 2 246.310 1.948 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC=C(C)C1 ZINC000280713839 386839819 /nfs/dbraw/zinc/83/98/19/386839819.db2.gz DXAJYBYZUUJDNX-ZDUSSCGKSA-N 1 2 246.310 1.948 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC(OC(F)F)C1 ZINC000425341364 386841674 /nfs/dbraw/zinc/84/16/74/386841674.db2.gz CXRKGFACHUMYBH-UHFFFAOYSA-N 1 2 245.273 1.887 20 0 BDADLO COC[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000301555278 386853561 /nfs/dbraw/zinc/85/35/61/386853561.db2.gz RZWZOZWKCXVBRN-SNVBAGLBSA-N 1 2 207.277 1.400 20 0 BDADLO CC[C@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000341185126 386845344 /nfs/dbraw/zinc/84/53/44/386845344.db2.gz DYNRVJREDXYZRT-NSHDSACASA-N 1 2 236.319 1.467 20 0 BDADLO CN(C[C@H](O)C1CC1)c1cc[nH+]c(C2CC2)n1 ZINC000301546362 386853840 /nfs/dbraw/zinc/85/38/40/386853840.db2.gz PFDYGNDKLQAYLN-NSHDSACASA-N 1 2 233.315 1.561 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc(C)cs1 ZINC000293621396 386849608 /nfs/dbraw/zinc/84/96/08/386849608.db2.gz QIBHOSKJJXCFKB-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc(C)cs1 ZINC000293621396 386849615 /nfs/dbraw/zinc/84/96/15/386849615.db2.gz QIBHOSKJJXCFKB-VIFPVBQESA-N 1 2 212.318 1.672 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000357825687 386850897 /nfs/dbraw/zinc/85/08/97/386850897.db2.gz DSOLTEADLUBHNC-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000357825687 386850901 /nfs/dbraw/zinc/85/09/01/386850901.db2.gz DSOLTEADLUBHNC-ZDUSSCGKSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC000293650990 386854810 /nfs/dbraw/zinc/85/48/10/386854810.db2.gz SLUDRWTUKYFYPV-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000293650990 386854815 /nfs/dbraw/zinc/85/48/15/386854815.db2.gz SLUDRWTUKYFYPV-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO CCC(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000357917905 386864185 /nfs/dbraw/zinc/86/41/85/386864185.db2.gz WTSZEBGDNCEZJS-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000334831009 386866775 /nfs/dbraw/zinc/86/67/75/386866775.db2.gz WGHWXEFNTAJGRC-VIFPVBQESA-N 1 2 230.308 1.622 20 0 BDADLO Cc1ncsc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000334831009 386866777 /nfs/dbraw/zinc/86/67/77/386866777.db2.gz WGHWXEFNTAJGRC-VIFPVBQESA-N 1 2 230.308 1.622 20 0 BDADLO Cc1nc(NCCn2ccnc2)c(C)c(C)[nH+]1 ZINC000301712048 386871171 /nfs/dbraw/zinc/87/11/71/386871171.db2.gz YEVXUCCQFDHQEK-UHFFFAOYSA-N 1 2 231.303 1.710 20 0 BDADLO Cc1cc(C)nc(N(C)CCCn2cc[nH+]c2)n1 ZINC000301718735 386872268 /nfs/dbraw/zinc/87/22/68/386872268.db2.gz YYBJNONIUXQHLA-UHFFFAOYSA-N 1 2 245.330 1.816 20 0 BDADLO O=C(COC1CCCC1)NCCc1[nH]cc[nH+]1 ZINC000331578034 386872771 /nfs/dbraw/zinc/87/27/71/386872771.db2.gz FKXAXTCPXPSSID-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO CCC[C@H](NCc1c[nH+]cn1CC)C(=O)OC ZINC000418008573 386877772 /nfs/dbraw/zinc/87/77/72/386877772.db2.gz ONFCEOJSMHPEGK-NSHDSACASA-N 1 2 239.319 1.334 20 0 BDADLO Cc1nc(C(C)C)oc1C(=O)NCc1[nH]cc[nH+]1 ZINC000293784999 386879245 /nfs/dbraw/zinc/87/92/45/386879245.db2.gz QHNRSUAHFUTOJG-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1ccc(CCNc2ncc(F)cn2)c[nH+]1 ZINC000301795076 386879763 /nfs/dbraw/zinc/87/97/63/386879763.db2.gz TUFBYESZQSKRBA-UHFFFAOYSA-N 1 2 232.262 1.974 20 0 BDADLO Cc1cc(C)n([C@H](C)C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000330767109 386881467 /nfs/dbraw/zinc/88/14/67/386881467.db2.gz LCAXJXPVLPRQEM-SNVBAGLBSA-N 1 2 247.302 1.100 20 0 BDADLO CSCc1cnc(C[N@H+](C)[C@@H](C)CO)s1 ZINC000293795162 386882191 /nfs/dbraw/zinc/88/21/91/386882191.db2.gz CUUGXPRHIGHPCX-QMMMGPOBSA-N 1 2 246.401 1.819 20 0 BDADLO CSCc1cnc(C[N@@H+](C)[C@@H](C)CO)s1 ZINC000293795162 386882194 /nfs/dbraw/zinc/88/21/94/386882194.db2.gz CUUGXPRHIGHPCX-QMMMGPOBSA-N 1 2 246.401 1.819 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC000335756292 386884053 /nfs/dbraw/zinc/88/40/53/386884053.db2.gz VFGFARNBWFIQSU-LLVKDONJSA-N 1 2 247.342 1.926 20 0 BDADLO CC(C)c1ncncc1C(=O)NCc1[nH]cc[nH+]1 ZINC000358124095 386894948 /nfs/dbraw/zinc/89/49/48/386894948.db2.gz OYXLXEOZRPYBQH-UHFFFAOYSA-N 1 2 245.286 1.253 20 0 BDADLO Nc1nc(NCC2(CO)CC2)[nH+]c2ccccc12 ZINC000301884251 386887425 /nfs/dbraw/zinc/88/74/25/386887425.db2.gz JJOSIQMZSXHJRS-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334862349 386915306 /nfs/dbraw/zinc/91/53/06/386915306.db2.gz KFWGVESJZROAKP-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334862349 386915313 /nfs/dbraw/zinc/91/53/13/386915313.db2.gz KFWGVESJZROAKP-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO CCCc1noc(CN2CCn3cc[nH+]c3C2)n1 ZINC000331847405 386916146 /nfs/dbraw/zinc/91/61/46/386916146.db2.gz GDJFKTJXXKBNIK-UHFFFAOYSA-N 1 2 247.302 1.234 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000302043677 386898708 /nfs/dbraw/zinc/89/87/08/386898708.db2.gz MEBPIGJZYSVTOX-NEPJUHHUSA-N 1 2 235.331 1.772 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1CF ZINC000293914154 386901281 /nfs/dbraw/zinc/90/12/81/386901281.db2.gz AOWAKVVHEUNBCW-HMDXOVGESA-N 1 2 223.251 1.383 20 0 BDADLO Cc1cncc(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000302104570 386904274 /nfs/dbraw/zinc/90/42/74/386904274.db2.gz MXPNTXPBZLQEJB-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cncc(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000302104570 386904279 /nfs/dbraw/zinc/90/42/79/386904279.db2.gz MXPNTXPBZLQEJB-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cncc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000302104569 386904654 /nfs/dbraw/zinc/90/46/54/386904654.db2.gz MXPNTXPBZLQEJB-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cncc(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000302104569 386904657 /nfs/dbraw/zinc/90/46/57/386904657.db2.gz MXPNTXPBZLQEJB-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO CCN(CC(F)F)c1cc(C)[nH+]cn1 ZINC000302163366 386909296 /nfs/dbraw/zinc/90/92/96/386909296.db2.gz ZCBFVMOOTCYHRD-UHFFFAOYSA-N 1 2 201.220 1.876 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCn2nc(C)nc2C1 ZINC000335767602 386910056 /nfs/dbraw/zinc/91/00/56/386910056.db2.gz AQJNIOKUFIVPBL-VIFPVBQESA-N 1 2 212.272 1.150 20 0 BDADLO CC[C@H](F)C[N@H+]1CCn2nc(C)nc2C1 ZINC000335767602 386910059 /nfs/dbraw/zinc/91/00/59/386910059.db2.gz AQJNIOKUFIVPBL-VIFPVBQESA-N 1 2 212.272 1.150 20 0 BDADLO Cn1nnnc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000341478095 386910180 /nfs/dbraw/zinc/91/01/80/386910180.db2.gz FEIQRSFIUOBBOT-UHFFFAOYSA-N 1 2 237.351 1.468 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccn1 ZINC000331809351 386910640 /nfs/dbraw/zinc/91/06/40/386910640.db2.gz KXTSRHCVIVCGQW-CMPLNLGQSA-N 1 2 243.314 1.859 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(F)ccc1F ZINC000335769354 386913112 /nfs/dbraw/zinc/91/31/12/386913112.db2.gz OCLZPHHMGHHYKR-MNOVXSKESA-N 1 2 245.244 1.870 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(F)ccc1F ZINC000335769354 386913116 /nfs/dbraw/zinc/91/31/16/386913116.db2.gz OCLZPHHMGHHYKR-MNOVXSKESA-N 1 2 245.244 1.870 20 0 BDADLO CCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330939444 386926374 /nfs/dbraw/zinc/92/63/74/386926374.db2.gz BBMUTMOWTLLVRH-UHFFFAOYSA-N 1 2 209.293 1.604 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2CCCC[C@H]21 ZINC000368254716 386954120 /nfs/dbraw/zinc/95/41/20/386954120.db2.gz YEOTVNATCFFQFT-ZYHUDNBSSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CCCC[C@H]21 ZINC000368254716 386954126 /nfs/dbraw/zinc/95/41/26/386954126.db2.gz YEOTVNATCFFQFT-ZYHUDNBSSA-N 1 2 233.315 1.743 20 0 BDADLO COC(=O)C(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368331219 386961341 /nfs/dbraw/zinc/96/13/41/386961341.db2.gz NGNAPYSGJJUVBO-VHSXEESVSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C(C)(C)CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368331219 386961345 /nfs/dbraw/zinc/96/13/45/386961345.db2.gz NGNAPYSGJJUVBO-VHSXEESVSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1nnc(C[NH+]2CCC([C@@H](C)O)CC2)s1 ZINC000358494252 386965983 /nfs/dbraw/zinc/96/59/83/386965983.db2.gz FBFBTXRSYLGLAZ-MRVPVSSYSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCCO2)s1 ZINC000358511375 386968066 /nfs/dbraw/zinc/96/80/66/386968066.db2.gz RJBIHUHQQGCIFM-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCCO2)s1 ZINC000358511375 386968068 /nfs/dbraw/zinc/96/80/68/386968068.db2.gz RJBIHUHQQGCIFM-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC(C)(C)O)[nH]1 ZINC000331136197 386970147 /nfs/dbraw/zinc/97/01/47/386970147.db2.gz FGZFXXQWATVPMJ-UHFFFAOYSA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC(C)(C)O)[nH]1 ZINC000331136197 386970150 /nfs/dbraw/zinc/97/01/50/386970150.db2.gz FGZFXXQWATVPMJ-UHFFFAOYSA-N 1 2 226.324 1.131 20 0 BDADLO CC[NH+](CC)Cc1nc([C@@H]2CCCO2)no1 ZINC000332388374 386973943 /nfs/dbraw/zinc/97/39/43/386973943.db2.gz HJIUSCNZKVGQGB-VIFPVBQESA-N 1 2 225.292 1.763 20 0 BDADLO C[C@@H](CO)N(C)c1cccc(-n2cc[nH+]c2)n1 ZINC000368483649 386978306 /nfs/dbraw/zinc/97/83/06/386978306.db2.gz PMYNSVVRKIIGSK-JTQLQIEISA-N 1 2 232.287 1.084 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1C ZINC000331184306 386986021 /nfs/dbraw/zinc/98/60/21/386986021.db2.gz TXBSCMKAXDCBQF-WDEREUQCSA-N 1 2 249.314 1.108 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1C ZINC000331184306 386986026 /nfs/dbraw/zinc/98/60/26/386986026.db2.gz TXBSCMKAXDCBQF-WDEREUQCSA-N 1 2 249.314 1.108 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308421496 533206284 /nfs/dbraw/zinc/20/62/84/533206284.db2.gz OOVALAXQJVSKLY-IVZWLZJFSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1c[nH]cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353011075 386990382 /nfs/dbraw/zinc/99/03/82/386990382.db2.gz LCLSQJYPUCBDDY-JTQLQIEISA-N 1 2 246.314 1.586 20 0 BDADLO Cn1ncnc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368687318 387001851 /nfs/dbraw/zinc/00/18/51/387001851.db2.gz JNPAPBBZOWPXLH-NXEZZACHSA-N 1 2 206.293 1.190 20 0 BDADLO Cn1ncnc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368687318 387001853 /nfs/dbraw/zinc/00/18/53/387001853.db2.gz JNPAPBBZOWPXLH-NXEZZACHSA-N 1 2 206.293 1.190 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)o1 ZINC000332729494 387006592 /nfs/dbraw/zinc/00/65/92/387006592.db2.gz TZEJUKZNOPHLMN-DTWKUNHWSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)o1 ZINC000332729494 387006593 /nfs/dbraw/zinc/00/65/93/387006593.db2.gz TZEJUKZNOPHLMN-DTWKUNHWSA-N 1 2 225.292 1.148 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000333409157 387032685 /nfs/dbraw/zinc/03/26/85/387032685.db2.gz PHSFNTBPJFTGCL-PEGIJTEDSA-N 1 2 231.299 1.732 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1cccs1 ZINC000359113628 387056278 /nfs/dbraw/zinc/05/62/78/387056278.db2.gz CAYFNJONWXRZIN-QMMMGPOBSA-N 1 2 235.312 1.891 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1cccs1 ZINC000359113628 387056282 /nfs/dbraw/zinc/05/62/82/387056282.db2.gz CAYFNJONWXRZIN-QMMMGPOBSA-N 1 2 235.312 1.891 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)c1cccnc1 ZINC000359142752 387059387 /nfs/dbraw/zinc/05/93/87/387059387.db2.gz ZWMXHCJTDUTDGO-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)c1cccnc1 ZINC000359142752 387059391 /nfs/dbraw/zinc/05/93/91/387059391.db2.gz ZWMXHCJTDUTDGO-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CC(C)c1nc(N(C)C[C@H](C)O)cc[nH+]1 ZINC000110281264 387060922 /nfs/dbraw/zinc/06/09/22/387060922.db2.gz GYKYTTLCZJMQQE-VIFPVBQESA-N 1 2 209.293 1.417 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000369669941 387061525 /nfs/dbraw/zinc/06/15/25/387061525.db2.gz HDRZCVBPOQVAHW-LBPRGKRZSA-N 1 2 227.304 1.195 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000369669941 387061530 /nfs/dbraw/zinc/06/15/30/387061530.db2.gz HDRZCVBPOQVAHW-LBPRGKRZSA-N 1 2 227.304 1.195 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@@]23CCOC3)n1 ZINC000341963369 387009964 /nfs/dbraw/zinc/00/99/64/387009964.db2.gz HGXLOAQTLVJHQK-NSHDSACASA-N 1 2 223.276 1.133 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@@]23CCOC3)n1 ZINC000341963369 387009971 /nfs/dbraw/zinc/00/99/71/387009971.db2.gz HGXLOAQTLVJHQK-NSHDSACASA-N 1 2 223.276 1.133 20 0 BDADLO CCC1(C)CN(Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425374609 387013636 /nfs/dbraw/zinc/01/36/36/387013636.db2.gz XMNXQKYKMVKHPN-UHFFFAOYSA-N 1 2 236.363 1.718 20 0 BDADLO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccno1 ZINC000648022932 387018589 /nfs/dbraw/zinc/01/85/89/387018589.db2.gz SGLDKADWUQXARQ-UHFFFAOYSA-N 1 2 249.318 1.072 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccoc2C)[nH]1 ZINC000320947512 387018528 /nfs/dbraw/zinc/01/85/28/387018528.db2.gz MIWWOLBAVJVDQQ-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCc1ccccn1)C1CC1 ZINC000358843790 387022672 /nfs/dbraw/zinc/02/26/72/387022672.db2.gz CLKYIHLTWOSJFK-ZDUSSCGKSA-N 1 2 248.326 1.555 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)[C@H](C)O1 ZINC000333255729 387023026 /nfs/dbraw/zinc/02/30/26/387023026.db2.gz FDVHUJNZKQPUAA-WEDXCCLWSA-N 1 2 237.303 1.603 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000519157539 387024258 /nfs/dbraw/zinc/02/42/58/387024258.db2.gz FOYUZDACJMUIRI-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@H]2C2CCC2)cn1 ZINC000519157539 387024261 /nfs/dbraw/zinc/02/42/61/387024261.db2.gz FOYUZDACJMUIRI-ZDUSSCGKSA-N 1 2 233.315 1.478 20 0 BDADLO COc1nccnc1C[NH+]1CC(CC(F)F)C1 ZINC000425368660 387026499 /nfs/dbraw/zinc/02/64/99/387026499.db2.gz XLBPRTYEVZXNAS-UHFFFAOYSA-N 1 2 243.257 1.572 20 0 BDADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@@H]1[C@H]1CCCO1 ZINC000334982321 387070346 /nfs/dbraw/zinc/07/03/46/387070346.db2.gz MHYHIEYXOFTFNK-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@@H]1[C@H]1CCCO1 ZINC000334982321 387070348 /nfs/dbraw/zinc/07/03/48/387070348.db2.gz MHYHIEYXOFTFNK-VXGBXAGGSA-N 1 2 235.331 1.799 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@]1(C)C[C@H]1F ZINC000424863290 387076616 /nfs/dbraw/zinc/07/66/16/387076616.db2.gz ACRWXZRSTSKBGC-YGOYTEALSA-N 1 2 239.294 1.828 20 0 BDADLO CC(C)c1nc(N[C@H](C)[C@H]2CCOC2)cc[nH+]1 ZINC000359314947 387083647 /nfs/dbraw/zinc/08/36/47/387083647.db2.gz XSJDZVKKJAFOGJ-MNOVXSKESA-N 1 2 235.331 1.859 20 0 BDADLO Cn1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336253021 387084309 /nfs/dbraw/zinc/08/43/09/387084309.db2.gz LPJYYOVMRRSPRX-JTQLQIEISA-N 1 2 244.298 1.036 20 0 BDADLO Cn1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336253021 387084313 /nfs/dbraw/zinc/08/43/13/387084313.db2.gz LPJYYOVMRRSPRX-JTQLQIEISA-N 1 2 244.298 1.036 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000370118183 387089328 /nfs/dbraw/zinc/08/93/28/387089328.db2.gz AXXBPYHFCSUPRT-NSHDSACASA-N 1 2 233.315 1.536 20 0 BDADLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000336259810 387090874 /nfs/dbraw/zinc/09/08/74/387090874.db2.gz USXYJZMQNADNRQ-QWRGUYRKSA-N 1 2 242.338 1.868 20 0 BDADLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](F)C1 ZINC000336259810 387090877 /nfs/dbraw/zinc/09/08/77/387090877.db2.gz USXYJZMQNADNRQ-QWRGUYRKSA-N 1 2 242.338 1.868 20 0 BDADLO CO[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000352349680 387091749 /nfs/dbraw/zinc/09/17/49/387091749.db2.gz GBDHMFNIPJLUQL-MNOVXSKESA-N 1 2 239.319 1.059 20 0 BDADLO C[C@@H]1CCCC[C@H]1C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418084784 387094768 /nfs/dbraw/zinc/09/47/68/387094768.db2.gz RLZNESGVZXJPLT-MNOVXSKESA-N 1 2 245.388 1.542 20 0 BDADLO O=c1cc(C[N@H+]2CC[C@H](F)C2)nc2ccccn12 ZINC000336261127 387094979 /nfs/dbraw/zinc/09/49/79/387094979.db2.gz MIIIIIISOACMTO-JTQLQIEISA-N 1 2 247.273 1.238 20 0 BDADLO O=c1cc(C[N@@H+]2CC[C@H](F)C2)nc2ccccn12 ZINC000336261127 387094985 /nfs/dbraw/zinc/09/49/85/387094985.db2.gz MIIIIIISOACMTO-JTQLQIEISA-N 1 2 247.273 1.238 20 0 BDADLO COC[C@@H](O)CNc1[nH+]c2ccccc2cc1C ZINC000071271385 387096694 /nfs/dbraw/zinc/09/66/94/387096694.db2.gz SDLALBKKLFUPKD-LBPRGKRZSA-N 1 2 246.310 1.962 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000336263594 387097906 /nfs/dbraw/zinc/09/79/06/387097906.db2.gz ZCZIVRMLGODEKW-LLVKDONJSA-N 1 2 209.293 1.267 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000336263594 387097911 /nfs/dbraw/zinc/09/79/11/387097911.db2.gz ZCZIVRMLGODEKW-LLVKDONJSA-N 1 2 209.293 1.267 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000119430689 387132613 /nfs/dbraw/zinc/13/26/13/387132613.db2.gz XFAYZHJWZLYFAM-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000333960320 387113216 /nfs/dbraw/zinc/11/32/16/387113216.db2.gz KYPJCLXRNFRKLG-GXSJLCMTSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000333960320 387113223 /nfs/dbraw/zinc/11/32/23/387113223.db2.gz KYPJCLXRNFRKLG-GXSJLCMTSA-N 1 2 247.342 1.819 20 0 BDADLO CCCNC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069069613 387113832 /nfs/dbraw/zinc/11/38/32/387113832.db2.gz FTGABKLJAXCOMQ-JTQLQIEISA-N 1 2 224.304 1.799 20 0 BDADLO CCCNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069069613 387113836 /nfs/dbraw/zinc/11/38/36/387113836.db2.gz FTGABKLJAXCOMQ-JTQLQIEISA-N 1 2 224.304 1.799 20 0 BDADLO CC(C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370418966 387115839 /nfs/dbraw/zinc/11/58/39/387115839.db2.gz QANIGBHLLHFLQH-GFCCVEGCSA-N 1 2 249.358 1.998 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000359529026 387118144 /nfs/dbraw/zinc/11/81/44/387118144.db2.gz IPYWZKJQFGQRDG-VXGBXAGGSA-N 1 2 241.331 1.295 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000359529026 387118146 /nfs/dbraw/zinc/11/81/46/387118146.db2.gz IPYWZKJQFGQRDG-VXGBXAGGSA-N 1 2 241.331 1.295 20 0 BDADLO C[C@H](C[NH3+])N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000335029042 387122857 /nfs/dbraw/zinc/12/28/57/387122857.db2.gz LBGCBSRYKDNPSX-ZCFIWIBFSA-N 1 2 244.241 1.090 20 0 BDADLO COC[C@H](C)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000370612448 387130084 /nfs/dbraw/zinc/13/00/84/387130084.db2.gz MNRLKXVODRUQJB-JTQLQIEISA-N 1 2 232.287 1.136 20 0 BDADLO Cc1nc(C[NH+]2CCC(c3cn[nH]c3)CC2)no1 ZINC000370752326 387143252 /nfs/dbraw/zinc/14/32/52/387143252.db2.gz DIGXKCUVIGXHTK-UHFFFAOYSA-N 1 2 247.302 1.481 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000120057172 387153161 /nfs/dbraw/zinc/15/31/61/387153161.db2.gz BOFKYDUUIHTECL-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000120057172 387153164 /nfs/dbraw/zinc/15/31/64/387153164.db2.gz BOFKYDUUIHTECL-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353221918 387162257 /nfs/dbraw/zinc/16/22/57/387162257.db2.gz GKXQEZVYTBADQQ-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000353258500 387165345 /nfs/dbraw/zinc/16/53/45/387165345.db2.gz UHMYSAUOYNYWFX-DTWKUNHWSA-N 1 2 239.323 1.036 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000353258500 387165354 /nfs/dbraw/zinc/16/53/54/387165354.db2.gz UHMYSAUOYNYWFX-DTWKUNHWSA-N 1 2 239.323 1.036 20 0 BDADLO COC(=O)[C@@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000571776973 387169216 /nfs/dbraw/zinc/16/92/16/387169216.db2.gz OPIZZUXFIWOERF-ZDUSSCGKSA-N 1 2 249.314 1.483 20 0 BDADLO COC(=O)[C@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000571776972 387169823 /nfs/dbraw/zinc/16/98/23/387169823.db2.gz OPIZZUXFIWOERF-CYBMUJFWSA-N 1 2 249.314 1.483 20 0 BDADLO CC1(C)[C@H]([NH2+]CC(F)(F)CN)[C@H]2CCCO[C@@H]21 ZINC000423331157 387174888 /nfs/dbraw/zinc/17/48/88/387174888.db2.gz CLGOIJABSJSRHD-BBBLOLIVSA-N 1 2 248.317 1.374 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371279144 387183338 /nfs/dbraw/zinc/18/33/38/387183338.db2.gz GIUBPCICTYCWHZ-SNVBAGLBSA-N 1 2 235.331 1.819 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371279144 387183346 /nfs/dbraw/zinc/18/33/46/387183346.db2.gz GIUBPCICTYCWHZ-SNVBAGLBSA-N 1 2 235.331 1.819 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000424581926 387183834 /nfs/dbraw/zinc/18/38/34/387183834.db2.gz HBHGCKBPPFMURX-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H](CC(C)(C)C)NCC(F)(F)C[NH3+] ZINC000423335610 387184463 /nfs/dbraw/zinc/18/44/63/387184463.db2.gz GODNHKQMTHSHQN-QMMMGPOBSA-N 1 2 208.296 1.995 20 0 BDADLO COC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352421738 387185520 /nfs/dbraw/zinc/18/55/20/387185520.db2.gz DUFAZEYUZHLOTA-PWSUYJOCSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352421738 387185524 /nfs/dbraw/zinc/18/55/24/387185524.db2.gz DUFAZEYUZHLOTA-PWSUYJOCSA-N 1 2 239.315 1.193 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000228995479 387136462 /nfs/dbraw/zinc/13/64/62/387136462.db2.gz PEEKQRJWRDDUJF-SNVBAGLBSA-N 1 2 229.283 1.830 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000228995479 387136469 /nfs/dbraw/zinc/13/64/69/387136469.db2.gz PEEKQRJWRDDUJF-SNVBAGLBSA-N 1 2 229.283 1.830 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000119575705 387140290 /nfs/dbraw/zinc/14/02/90/387140290.db2.gz ZYPIWQMMJXUCMD-VIFPVBQESA-N 1 2 245.286 1.116 20 0 BDADLO CC1(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000119578290 387140753 /nfs/dbraw/zinc/14/07/53/387140753.db2.gz QAMCWTMIKMJCFS-UHFFFAOYSA-N 1 2 243.310 1.793 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@@H]1F ZINC000424595737 387204428 /nfs/dbraw/zinc/20/44/28/387204428.db2.gz RTVOISNIHRGIDP-YWVKMMECSA-N 1 2 225.267 1.136 20 0 BDADLO C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000300423583 387212251 /nfs/dbraw/zinc/21/22/51/387212251.db2.gz SLHJVUXRQIUIDY-KWBADKCTSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371444008 387214179 /nfs/dbraw/zinc/21/41/79/387214179.db2.gz VEOOQEUORXVITN-OPRDCNLKSA-N 1 2 219.288 1.729 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1cncs1 ZINC000353495209 387216049 /nfs/dbraw/zinc/21/60/49/387216049.db2.gz HCEURTURLDSECW-UHFFFAOYSA-N 1 2 248.311 1.856 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2c(c1)CCO2 ZINC000353523074 387221332 /nfs/dbraw/zinc/22/13/32/387221332.db2.gz WSKNRUXSYKPCFI-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2c(c1)CCO2 ZINC000353523074 387221336 /nfs/dbraw/zinc/22/13/36/387221336.db2.gz WSKNRUXSYKPCFI-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO CCc1ccc(C[N@@H+]2CCn3ccnc3C2)cn1 ZINC000336397162 387224308 /nfs/dbraw/zinc/22/43/08/387224308.db2.gz FPOWYXGWRASWRI-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCc1ccc(C[N@H+]2CCn3ccnc3C2)cn1 ZINC000336397162 387224313 /nfs/dbraw/zinc/22/43/13/387224313.db2.gz FPOWYXGWRASWRI-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO COC[C@H](Nc1cc(C)[nH+]cn1)[C@@H]1CCCO1 ZINC000572098331 387234878 /nfs/dbraw/zinc/23/48/78/387234878.db2.gz YWHMXBNJRITJPC-QWRGUYRKSA-N 1 2 237.303 1.391 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000336407458 387236210 /nfs/dbraw/zinc/23/62/10/387236210.db2.gz FITQFVXKTZZFBB-MNOVXSKESA-N 1 2 217.284 1.226 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000336407458 387236213 /nfs/dbraw/zinc/23/62/13/387236213.db2.gz FITQFVXKTZZFBB-MNOVXSKESA-N 1 2 217.284 1.226 20 0 BDADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)no1 ZINC000572124890 387241301 /nfs/dbraw/zinc/24/13/01/387241301.db2.gz HUDRGJOSSNWNHY-MRVPVSSYSA-N 1 2 234.259 1.191 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cc[nH]c(=O)c1 ZINC000230191247 387243090 /nfs/dbraw/zinc/24/30/90/387243090.db2.gz SFYAQUFJASIXJM-UHFFFAOYSA-N 1 2 229.239 1.331 20 0 BDADLO CCO[C@H](C)c1noc(Cn2cc[nH+]c2)n1 ZINC000120405194 387243626 /nfs/dbraw/zinc/24/36/26/387243626.db2.gz NCEOKOSEDKRVMM-MRVPVSSYSA-N 1 2 222.248 1.412 20 0 BDADLO C[C@H](CNC(=O)[C@]1(C)C[C@@H]1F)Cn1cc[nH+]c1 ZINC000424693173 387248950 /nfs/dbraw/zinc/24/89/50/387248950.db2.gz XFKGYDGMJAYGOE-JFGNBEQYSA-N 1 2 239.294 1.384 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cnn(C)c1 ZINC000097604664 387251704 /nfs/dbraw/zinc/25/17/04/387251704.db2.gz COTTUGFBCULVHU-VIFPVBQESA-N 1 2 219.292 1.004 20 0 BDADLO CC(C)[C@@H](Cn1cccn1)[NH2+]CC(F)(F)CN ZINC000423345931 387194875 /nfs/dbraw/zinc/19/48/75/387194875.db2.gz OPRIYCHHZRJSIT-SNVBAGLBSA-N 1 2 246.305 1.091 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571894896 387195867 /nfs/dbraw/zinc/19/58/67/387195867.db2.gz JPAKNJRBUJZUGK-FXPVBKGRSA-N 1 2 221.304 1.503 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571894896 387195871 /nfs/dbraw/zinc/19/58/71/387195871.db2.gz JPAKNJRBUJZUGK-FXPVBKGRSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@@H]1[N@H+](CC(=O)N(C)C2CC2)CCOC1(C)C ZINC000336488638 387315416 /nfs/dbraw/zinc/31/54/16/387315416.db2.gz CRVMILJXPRKPJB-JTQLQIEISA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1[N@@H+](CC(=O)N(C)C2CC2)CCOC1(C)C ZINC000336488638 387315425 /nfs/dbraw/zinc/31/54/25/387315425.db2.gz CRVMILJXPRKPJB-JTQLQIEISA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)CO1 ZINC000514933916 387316253 /nfs/dbraw/zinc/31/62/53/387316253.db2.gz DGUXCXPIGHXMQP-MWLCHTKSSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)CO1 ZINC000514933916 387316257 /nfs/dbraw/zinc/31/62/57/387316257.db2.gz DGUXCXPIGHXMQP-MWLCHTKSSA-N 1 2 248.330 1.888 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000572175415 387258442 /nfs/dbraw/zinc/25/84/42/387258442.db2.gz JGUIDCHKGNLMIA-LBPRGKRZSA-N 1 2 244.298 1.847 20 0 BDADLO Oc1cccnc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000572175415 387258445 /nfs/dbraw/zinc/25/84/45/387258445.db2.gz JGUIDCHKGNLMIA-LBPRGKRZSA-N 1 2 244.298 1.847 20 0 BDADLO CC(C)n1c[nH+]cc1CNc1cccnn1 ZINC000424723945 387259756 /nfs/dbraw/zinc/25/97/56/387259756.db2.gz PZLOILOGARCNOZ-UHFFFAOYSA-N 1 2 217.276 1.288 20 0 BDADLO Cc1nc(N2CCCOCC2)c(C)c(C)[nH+]1 ZINC000372012850 387265138 /nfs/dbraw/zinc/26/51/38/387265138.db2.gz KASILFSLSQHTJS-UHFFFAOYSA-N 1 2 221.304 1.629 20 0 BDADLO C[N@H+](C/C(Cl)=C/Cl)C1(CO)CC1 ZINC000285653520 387276518 /nfs/dbraw/zinc/27/65/18/387276518.db2.gz YNNHTCVGSXCMIQ-DAXSKMNVSA-N 1 2 210.104 1.762 20 0 BDADLO C[N@@H+](C/C(Cl)=C/Cl)C1(CO)CC1 ZINC000285653520 387276521 /nfs/dbraw/zinc/27/65/21/387276521.db2.gz YNNHTCVGSXCMIQ-DAXSKMNVSA-N 1 2 210.104 1.762 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1ccon1 ZINC000353811833 387279092 /nfs/dbraw/zinc/27/90/92/387279092.db2.gz RSGGTLGUPNOTHZ-VIFPVBQESA-N 1 2 246.270 1.683 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)n1 ZINC000336460103 387289997 /nfs/dbraw/zinc/28/99/97/387289997.db2.gz GUKQZQIYCRPXHP-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)n1 ZINC000336460103 387289999 /nfs/dbraw/zinc/28/99/99/387289999.db2.gz GUKQZQIYCRPXHP-GFCCVEGCSA-N 1 2 237.347 1.667 20 0 BDADLO CCN(CC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC000360484906 387298095 /nfs/dbraw/zinc/29/80/95/387298095.db2.gz AYNBHQGPUFJHJF-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(C2CC2)C1 ZINC000643462171 387300751 /nfs/dbraw/zinc/30/07/51/387300751.db2.gz SAPDYDYYBQGDFW-UHFFFAOYSA-N 1 2 231.299 1.686 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000514867948 387303853 /nfs/dbraw/zinc/30/38/53/387303853.db2.gz ZEFFUHRQJQMXFY-NSHDSACASA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000514867948 387303859 /nfs/dbraw/zinc/30/38/59/387303859.db2.gz ZEFFUHRQJQMXFY-NSHDSACASA-N 1 2 238.310 1.477 20 0 BDADLO Cn1ccnc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336532660 387355874 /nfs/dbraw/zinc/35/58/74/387355874.db2.gz HBHUNFUTWVHEQC-SNVBAGLBSA-N 1 2 231.303 1.480 20 0 BDADLO c1c2cccnc2oc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000648592774 387364140 /nfs/dbraw/zinc/36/41/40/387364140.db2.gz YTDIHOXKYBZUHF-NEPJUHHUSA-N 1 2 230.267 1.801 20 0 BDADLO c1c2cccnc2oc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000648592774 387364143 /nfs/dbraw/zinc/36/41/43/387364143.db2.gz YTDIHOXKYBZUHF-NEPJUHHUSA-N 1 2 230.267 1.801 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCSC[C@@H]1C ZINC000336550481 387373330 /nfs/dbraw/zinc/37/33/30/387373330.db2.gz ZKEFMRBQPWVKSP-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCSC[C@@H]1C ZINC000336550481 387373334 /nfs/dbraw/zinc/37/33/34/387373334.db2.gz ZKEFMRBQPWVKSP-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO CN(Cc1c[nH+]c2ccccn12)c1ccn(C)n1 ZINC000360970352 387378998 /nfs/dbraw/zinc/37/89/98/387378998.db2.gz ZWCHLZHJDQUFBX-UHFFFAOYSA-N 1 2 241.298 1.704 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC1(C)C ZINC000286272527 387322276 /nfs/dbraw/zinc/32/22/76/387322276.db2.gz DNEAELREFKGVIX-SECBINFHSA-N 1 2 231.303 1.964 20 0 BDADLO COC(=O)c1coc(CNc2c[nH]c[nH+]2)c1 ZINC000390442084 387327818 /nfs/dbraw/zinc/32/78/18/387327818.db2.gz VUPMGMXFDHPECH-UHFFFAOYSA-N 1 2 221.216 1.401 20 0 BDADLO C([NH2+][C@H]1CCO[C@@H]1C1CC1)c1noc(C2CC2)n1 ZINC000372810086 387328845 /nfs/dbraw/zinc/32/88/45/387328845.db2.gz NCVONATUIOZGOP-CMPLNLGQSA-N 1 2 249.314 1.604 20 0 BDADLO O=C(c1ccon1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336510368 387334822 /nfs/dbraw/zinc/33/48/22/387334822.db2.gz BSWRIBBGBLBEMJ-SECBINFHSA-N 1 2 232.243 1.375 20 0 BDADLO C[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000514678632 387339482 /nfs/dbraw/zinc/33/94/82/387339482.db2.gz CZTINDTVVPEOIG-QMMMGPOBSA-N 1 2 245.286 1.018 20 0 BDADLO C(C1CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000121387634 387344212 /nfs/dbraw/zinc/34/42/12/387344212.db2.gz DZLZLTCOTCUDTP-CYBMUJFWSA-N 1 2 224.348 1.193 20 0 BDADLO CC(C)c1nc(NCCOC(F)(F)F)cc[nH+]1 ZINC000352594441 387346592 /nfs/dbraw/zinc/34/65/92/387346592.db2.gz HJYSOADGTWXVFK-UHFFFAOYSA-N 1 2 249.236 1.970 20 0 BDADLO CC(C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000121869139 387423676 /nfs/dbraw/zinc/42/36/76/387423676.db2.gz YVVBWNXOPDSVHI-NWDGAFQWSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352663935 387427318 /nfs/dbraw/zinc/42/73/18/387427318.db2.gz AHIKNDWCZXIOSU-QWRGUYRKSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352663935 387427321 /nfs/dbraw/zinc/42/73/21/387427321.db2.gz AHIKNDWCZXIOSU-QWRGUYRKSA-N 1 2 238.335 1.204 20 0 BDADLO c1snnc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000374254725 387435215 /nfs/dbraw/zinc/43/52/15/387435215.db2.gz NKGHVUUJEZTPAR-QWRGUYRKSA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000374254725 387435221 /nfs/dbraw/zinc/43/52/21/387435221.db2.gz NKGHVUUJEZTPAR-QWRGUYRKSA-N 1 2 239.344 1.682 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000361323559 387438415 /nfs/dbraw/zinc/43/84/15/387438415.db2.gz HPLSZEPXZUVLDH-RYUDHWBXSA-N 1 2 243.314 1.198 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000361323559 387438418 /nfs/dbraw/zinc/43/84/18/387438418.db2.gz HPLSZEPXZUVLDH-RYUDHWBXSA-N 1 2 243.314 1.198 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)N(C)Cc1c[nH+]c[nH]1 ZINC000361332861 387440944 /nfs/dbraw/zinc/44/09/44/387440944.db2.gz WTUOYMJSECQDIT-SECBINFHSA-N 1 2 238.335 1.145 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H](C)CCOC)C(=O)OCC ZINC000432920012 387442460 /nfs/dbraw/zinc/44/24/60/387442460.db2.gz YETGJMKCZLCKAJ-OXTPZFROSA-N 1 2 243.347 1.899 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000374355611 387445416 /nfs/dbraw/zinc/44/54/16/387445416.db2.gz GKNFPMBCYIICNI-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000374355611 387445421 /nfs/dbraw/zinc/44/54/21/387445421.db2.gz GKNFPMBCYIICNI-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000374355612 387446508 /nfs/dbraw/zinc/44/65/08/387446508.db2.gz GKNFPMBCYIICNI-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000374355612 387446510 /nfs/dbraw/zinc/44/65/10/387446510.db2.gz GKNFPMBCYIICNI-SNVBAGLBSA-N 1 2 239.319 1.661 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000374378321 387447779 /nfs/dbraw/zinc/44/77/79/387447779.db2.gz BHICJSBEWMPWLN-SNVBAGLBSA-N 1 2 233.315 1.536 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000374386126 387447800 /nfs/dbraw/zinc/44/78/00/387447800.db2.gz NMGMWIHFYQNPDK-ITKZLYELSA-N 1 2 245.326 1.702 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CC(F)C3)n2c1 ZINC000336618676 387458908 /nfs/dbraw/zinc/45/89/08/387458908.db2.gz AUFPNUJOFVOELA-UHFFFAOYSA-N 1 2 219.263 1.796 20 0 BDADLO Cc1cccc(N(C)C(=O)CCc2c[nH+]c[nH]2)n1 ZINC000584522749 387389666 /nfs/dbraw/zinc/38/96/66/387389666.db2.gz FILOEMBTHRBONF-UHFFFAOYSA-N 1 2 244.298 1.709 20 0 BDADLO Cc1cccc(N(C)C(=O)CCc2c[nH]c[nH+]2)n1 ZINC000584522749 387389670 /nfs/dbraw/zinc/38/96/70/387389670.db2.gz FILOEMBTHRBONF-UHFFFAOYSA-N 1 2 244.298 1.709 20 0 BDADLO c1cc(C[NH+]2CCC(c3cnccn3)CC2)no1 ZINC000373762920 387394679 /nfs/dbraw/zinc/39/46/79/387394679.db2.gz KLKUOGKTEOLVOV-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO O=S1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000336572671 387395679 /nfs/dbraw/zinc/39/56/79/387395679.db2.gz FWIPXMLJXTWUIB-UHFFFAOYSA-N 1 2 248.351 1.732 20 0 BDADLO O=C(NCCF)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000373882052 387400379 /nfs/dbraw/zinc/40/03/79/387400379.db2.gz PWTJJWFEGAOTAO-LBPRGKRZSA-N 1 2 236.290 1.347 20 0 BDADLO O=C(NCCF)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000373882052 387400386 /nfs/dbraw/zinc/40/03/86/387400386.db2.gz PWTJJWFEGAOTAO-LBPRGKRZSA-N 1 2 236.290 1.347 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](c3ccco3)C2)no1 ZINC000374007867 387411563 /nfs/dbraw/zinc/41/15/63/387411563.db2.gz LJUKLZDGAIZPEX-SNVBAGLBSA-N 1 2 233.271 1.961 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](c3ccco3)C2)no1 ZINC000374007867 387411567 /nfs/dbraw/zinc/41/15/67/387411567.db2.gz LJUKLZDGAIZPEX-SNVBAGLBSA-N 1 2 233.271 1.961 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](n3cccn3)C2)n1C ZINC000361230150 387419565 /nfs/dbraw/zinc/41/95/65/387419565.db2.gz TZOYACWWLSSMCW-LBPRGKRZSA-N 1 2 245.330 1.372 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](n3cccn3)C2)n1C ZINC000361230150 387419572 /nfs/dbraw/zinc/41/95/72/387419572.db2.gz TZOYACWWLSSMCW-LBPRGKRZSA-N 1 2 245.330 1.372 20 0 BDADLO Cc1c[nH+]c(CN2CC[C@H](n3cccn3)C2)n1C ZINC000361230150 387419575 /nfs/dbraw/zinc/41/95/75/387419575.db2.gz TZOYACWWLSSMCW-LBPRGKRZSA-N 1 2 245.330 1.372 20 0 BDADLO Cn1nccc1CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000374831233 387494419 /nfs/dbraw/zinc/49/44/19/387494419.db2.gz XKNGBGQGUQWBQW-LLVKDONJSA-N 1 2 247.302 1.183 20 0 BDADLO Cn1nccc1CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000374831233 387494427 /nfs/dbraw/zinc/49/44/27/387494427.db2.gz XKNGBGQGUQWBQW-LLVKDONJSA-N 1 2 247.302 1.183 20 0 BDADLO Cc1csc2c1C[N@@H+]([C@H]1CCOC1=O)CC2 ZINC000374836037 387495405 /nfs/dbraw/zinc/49/54/05/387495405.db2.gz MDUPBAVKIZXOEE-JTQLQIEISA-N 1 2 237.324 1.730 20 0 BDADLO Cc1csc2c1C[N@H+]([C@H]1CCOC1=O)CC2 ZINC000374836037 387495407 /nfs/dbraw/zinc/49/54/07/387495407.db2.gz MDUPBAVKIZXOEE-JTQLQIEISA-N 1 2 237.324 1.730 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000572459173 387500441 /nfs/dbraw/zinc/50/04/41/387500441.db2.gz QVHRZZZHQLHKLY-DTWKUNHWSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000572459173 387500445 /nfs/dbraw/zinc/50/04/45/387500445.db2.gz QVHRZZZHQLHKLY-DTWKUNHWSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000572459172 387500481 /nfs/dbraw/zinc/50/04/81/387500481.db2.gz QVHRZZZHQLHKLY-BDAKNGLRSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000572459172 387500488 /nfs/dbraw/zinc/50/04/88/387500488.db2.gz QVHRZZZHQLHKLY-BDAKNGLRSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000361580121 387501531 /nfs/dbraw/zinc/50/15/31/387501531.db2.gz ZGZRVTAJDQWTJX-KOLCDFICSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000361580121 387501539 /nfs/dbraw/zinc/50/15/39/387501539.db2.gz ZGZRVTAJDQWTJX-KOLCDFICSA-N 1 2 247.302 1.583 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)nc1 ZINC000085820040 387502806 /nfs/dbraw/zinc/50/28/06/387502806.db2.gz IIJHICDNAYFREM-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)nc1 ZINC000085820040 387502815 /nfs/dbraw/zinc/50/28/15/387502815.db2.gz IIJHICDNAYFREM-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC(=O)CCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421923919 387504692 /nfs/dbraw/zinc/50/46/92/387504692.db2.gz UDSKARMRMBDDKJ-UHFFFAOYSA-N 1 2 234.299 1.684 20 0 BDADLO Cc1nc(N2CC(O)(C(F)F)C2)c(C)c(C)[nH+]1 ZINC000425278821 387522515 /nfs/dbraw/zinc/52/25/15/387522515.db2.gz TUFBVCHVKOUSKR-UHFFFAOYSA-N 1 2 243.257 1.218 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC(=O)NCC1CC1 ZINC000027428969 387529244 /nfs/dbraw/zinc/52/92/44/387529244.db2.gz VOIHMMUBZKDGPA-NSHDSACASA-N 1 2 247.342 1.391 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)NCC1CC1 ZINC000027428969 387529248 /nfs/dbraw/zinc/52/92/48/387529248.db2.gz VOIHMMUBZKDGPA-NSHDSACASA-N 1 2 247.342 1.391 20 0 BDADLO O=C1N=NC(C[N@@H+]2CCCC23CCC3)S1 ZINC000375335228 387530651 /nfs/dbraw/zinc/53/06/51/387530651.db2.gz DTNHMFYMXXWSNU-UHFFFAOYSA-N 1 2 225.317 1.762 20 0 BDADLO O=C1N=NC(C[N@H+]2CCCC23CCC3)S1 ZINC000375335228 387530654 /nfs/dbraw/zinc/53/06/54/387530654.db2.gz DTNHMFYMXXWSNU-UHFFFAOYSA-N 1 2 225.317 1.762 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCOC2)c[nH+]1 ZINC000397026682 387533228 /nfs/dbraw/zinc/53/32/28/387533228.db2.gz JTEJQNWLHYGYOI-GFCCVEGCSA-N 1 2 249.314 1.287 20 0 BDADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCOC2)c[nH+]1 ZINC000397026683 387533451 /nfs/dbraw/zinc/53/34/51/387533451.db2.gz JTEJQNWLHYGYOI-LBPRGKRZSA-N 1 2 249.314 1.287 20 0 BDADLO CC1(C)CC(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000352730428 387462839 /nfs/dbraw/zinc/46/28/39/387462839.db2.gz DIKRODMZFYSSSU-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCC(C)(C)C1 ZINC000361467251 387466231 /nfs/dbraw/zinc/46/62/31/387466231.db2.gz BTWAOVGWRYUZGP-QMMMGPOBSA-N 1 2 224.308 1.521 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCC(C)(C)C1 ZINC000361467251 387466237 /nfs/dbraw/zinc/46/62/37/387466237.db2.gz BTWAOVGWRYUZGP-QMMMGPOBSA-N 1 2 224.308 1.521 20 0 BDADLO CCCCOCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352761397 387467093 /nfs/dbraw/zinc/46/70/93/387467093.db2.gz TZPVDFDXXWRNPA-XHDPSFHLSA-N 1 2 233.377 1.256 20 0 BDADLO CCCCOCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352761397 387467100 /nfs/dbraw/zinc/46/71/00/387467100.db2.gz TZPVDFDXXWRNPA-XHDPSFHLSA-N 1 2 233.377 1.256 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CC1CCCC1)[C@H](C)O ZINC000355043130 387470864 /nfs/dbraw/zinc/47/08/64/387470864.db2.gz UFLKYGJQNRIHCK-JFGNBEQYSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCOC(C)(C)C)CC2 ZINC000374641469 387476626 /nfs/dbraw/zinc/47/66/26/387476626.db2.gz ACYNOAWSYCNZNN-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(C)on1)CC2 ZINC000374648231 387476649 /nfs/dbraw/zinc/47/66/49/387476649.db2.gz PVJFRYPGTLNEBL-UHFFFAOYSA-N 1 2 246.270 1.144 20 0 BDADLO CCCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355088399 387477195 /nfs/dbraw/zinc/47/71/95/387477195.db2.gz OCMFCBWUFSVMOE-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355088399 387477198 /nfs/dbraw/zinc/47/71/98/387477198.db2.gz OCMFCBWUFSVMOE-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000355099987 387480863 /nfs/dbraw/zinc/48/08/63/387480863.db2.gz AWRQAROUAGNWFK-GHMZBOCLSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2cc[nH]n2)cc[nH+]1 ZINC000336629543 387482392 /nfs/dbraw/zinc/48/23/92/387482392.db2.gz VZTKBWBWSRRYIR-UHFFFAOYSA-N 1 2 245.286 1.199 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(C)C)CC2 ZINC000374698345 387483216 /nfs/dbraw/zinc/48/32/16/387483216.db2.gz QNINPQQEPFWGOQ-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO COC(=O)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000374694352 387483769 /nfs/dbraw/zinc/48/37/69/387483769.db2.gz AKOLCZSASGEBEF-UHFFFAOYSA-N 1 2 248.326 1.742 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000361548469 387485490 /nfs/dbraw/zinc/48/54/90/387485490.db2.gz KDMQMPSIQQBJQP-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000361548469 387485492 /nfs/dbraw/zinc/48/54/92/387485492.db2.gz KDMQMPSIQQBJQP-LLVKDONJSA-N 1 2 238.335 1.254 20 0 BDADLO Cc1cc(CNC(=O)[C@@](C)(O)C2CC2)cc(C)[nH+]1 ZINC000421909876 387485952 /nfs/dbraw/zinc/48/59/52/387485952.db2.gz HOEKKPFGJZAYEK-AWEZNQCLSA-N 1 2 248.326 1.476 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CCC(C)(C)O)CC2 ZINC000374715026 387486180 /nfs/dbraw/zinc/48/61/80/387486180.db2.gz YSDLKUDLOBSMES-UHFFFAOYSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CCC(C)(C)O)CC2 ZINC000374715026 387486181 /nfs/dbraw/zinc/48/61/81/387486181.db2.gz YSDLKUDLOBSMES-UHFFFAOYSA-N 1 2 223.320 1.168 20 0 BDADLO CC[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000421916135 387487465 /nfs/dbraw/zinc/48/74/65/387487465.db2.gz NRDIOQHCSGMDRP-WDEREUQCSA-N 1 2 235.331 1.608 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374825146 387492435 /nfs/dbraw/zinc/49/24/35/387492435.db2.gz XZRSYFVNIJWZRS-ZWNOBZJWSA-N 1 2 249.310 1.487 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374825146 387492437 /nfs/dbraw/zinc/49/24/37/387492437.db2.gz XZRSYFVNIJWZRS-ZWNOBZJWSA-N 1 2 249.310 1.487 20 0 BDADLO CC[C@@H](C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000422227937 387588055 /nfs/dbraw/zinc/58/80/55/387588055.db2.gz OWUAGMZZFOEKKB-SNVBAGLBSA-N 1 2 238.335 1.608 20 0 BDADLO CCc1ccc([C@H](CO)[NH2+]Cc2cc[nH]n2)cc1 ZINC000305270041 387591164 /nfs/dbraw/zinc/59/11/64/387591164.db2.gz SOHUEULXGSEYRU-AWEZNQCLSA-N 1 2 245.326 1.795 20 0 BDADLO COC1(C)C[NH+](Cc2cccc3c2OCCO3)C1 ZINC000362312277 387593968 /nfs/dbraw/zinc/59/39/68/387593968.db2.gz IQVFEXBCGRQKTN-UHFFFAOYSA-N 1 2 249.310 1.679 20 0 BDADLO CCN(C)c1ccc(C[NH+]2CC(C)(OC)C2)cn1 ZINC000362308715 387595391 /nfs/dbraw/zinc/59/53/91/387595391.db2.gz KLEQYPXISPRQKD-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CCC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000194287284 387595618 /nfs/dbraw/zinc/59/56/18/387595618.db2.gz JIASHYWXRVWKJR-GFCCVEGCSA-N 1 2 245.330 1.841 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362386497 387606234 /nfs/dbraw/zinc/60/62/34/387606234.db2.gz SRZHZPSRIFADIZ-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362386497 387606239 /nfs/dbraw/zinc/60/62/39/387606239.db2.gz SRZHZPSRIFADIZ-QWHCGFSZSA-N 1 2 235.331 1.862 20 0 BDADLO Cn1cc[nH+]c1Cn1nnc(-c2ccsc2)n1 ZINC000124447253 387617828 /nfs/dbraw/zinc/61/78/28/387617828.db2.gz ASOCBRRKTSSDDV-UHFFFAOYSA-N 1 2 246.299 1.183 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC(=O)NCC1(C)C ZINC000528493783 387620499 /nfs/dbraw/zinc/62/04/99/387620499.db2.gz ZVGTZQHRURWFHI-YWEYNIOJSA-N 1 2 216.712 1.339 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC(=O)NCC1(C)C ZINC000528493783 387620502 /nfs/dbraw/zinc/62/05/02/387620502.db2.gz ZVGTZQHRURWFHI-YWEYNIOJSA-N 1 2 216.712 1.339 20 0 BDADLO c1cc2[nH+]ccc(NCC3COC3)c2cn1 ZINC000527533806 387625672 /nfs/dbraw/zinc/62/56/72/387625672.db2.gz PLSZGWYCSSLXML-UHFFFAOYSA-N 1 2 215.256 1.110 20 0 BDADLO CCN(C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000376388130 387627332 /nfs/dbraw/zinc/62/73/32/387627332.db2.gz XEFMEKUAGMNNLI-JTQLQIEISA-N 1 2 236.319 1.168 20 0 BDADLO CCOc1ncccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114123364 387566959 /nfs/dbraw/zinc/56/69/59/387566959.db2.gz QTNXWBUMHMEOMX-UHFFFAOYSA-N 1 2 246.270 1.133 20 0 BDADLO Cc1cc(NCc2[nH+]ccn2C)nn1C(C)C ZINC000422126311 387572070 /nfs/dbraw/zinc/57/20/70/387572070.db2.gz WSRZWOOHRFSIPH-UHFFFAOYSA-N 1 2 233.319 1.540 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560182 387630049 /nfs/dbraw/zinc/63/00/49/387630049.db2.gz MXHOEIRXBNNSRS-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560182 387630052 /nfs/dbraw/zinc/63/00/52/387630052.db2.gz MXHOEIRXBNNSRS-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CC2)C1 ZINC000376430189 387631046 /nfs/dbraw/zinc/63/10/46/387631046.db2.gz WSEBPDOGMPPTNH-JTQLQIEISA-N 1 2 248.330 1.472 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000527536637 387631561 /nfs/dbraw/zinc/63/15/61/387631561.db2.gz WZIYFVDZKINSDP-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000527536637 387631565 /nfs/dbraw/zinc/63/15/65/387631565.db2.gz WZIYFVDZKINSDP-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO Cc1ccoc1C[NH2+][C@H](C)c1nncn1C ZINC000126762356 387694972 /nfs/dbraw/zinc/69/49/72/387694972.db2.gz KDARWRCOSUTVBE-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO CCCn1cc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000356314043 387642481 /nfs/dbraw/zinc/64/24/81/387642481.db2.gz FJFDFEICENHNDY-UHFFFAOYSA-N 1 2 246.314 1.793 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356325954 387643612 /nfs/dbraw/zinc/64/36/12/387643612.db2.gz WVWXOPIUPRTLQD-ZDUSSCGKSA-N 1 2 248.326 1.205 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356325954 387643615 /nfs/dbraw/zinc/64/36/15/387643615.db2.gz WVWXOPIUPRTLQD-ZDUSSCGKSA-N 1 2 248.326 1.205 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CC[C@H](C)O ZINC000305748351 387645518 /nfs/dbraw/zinc/64/55/18/387645518.db2.gz QIRGMEFIDJHFNS-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CC[C@H](C)O ZINC000305748351 387645522 /nfs/dbraw/zinc/64/55/22/387645522.db2.gz QIRGMEFIDJHFNS-JTQLQIEISA-N 1 2 240.351 1.199 20 0 BDADLO C[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000149357375 387651194 /nfs/dbraw/zinc/65/11/94/387651194.db2.gz CWNALDYIHGSJHK-SNVBAGLBSA-N 1 2 211.236 1.129 20 0 BDADLO Cc1ccc(C)c(C[NH2+]Cc2ncn(C)n2)c1 ZINC000125351608 387654542 /nfs/dbraw/zinc/65/45/42/387654542.db2.gz VEETWAPQRYWVFS-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000356430165 387657124 /nfs/dbraw/zinc/65/71/24/387657124.db2.gz CSKIAKNORBMIDK-SNVBAGLBSA-N 1 2 233.319 1.645 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000356430165 387657129 /nfs/dbraw/zinc/65/71/29/387657129.db2.gz CSKIAKNORBMIDK-SNVBAGLBSA-N 1 2 233.319 1.645 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000356430165 387657131 /nfs/dbraw/zinc/65/71/31/387657131.db2.gz CSKIAKNORBMIDK-SNVBAGLBSA-N 1 2 233.319 1.645 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000356430165 387657135 /nfs/dbraw/zinc/65/71/35/387657135.db2.gz CSKIAKNORBMIDK-SNVBAGLBSA-N 1 2 233.319 1.645 20 0 BDADLO CCc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1O ZINC000362819072 387662934 /nfs/dbraw/zinc/66/29/34/387662934.db2.gz CXPBHJZUUTYCDW-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO CCc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1O ZINC000362819072 387662939 /nfs/dbraw/zinc/66/29/39/387662939.db2.gz CXPBHJZUUTYCDW-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO Cc1c[nH+]c(CN2CC3(CCC3(F)F)C2)n1C ZINC000356518470 387667695 /nfs/dbraw/zinc/66/76/95/387667695.db2.gz DSBWIYWLUQOPIW-UHFFFAOYSA-N 1 2 241.285 1.960 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(CC(F)F)CC1 ZINC000440709225 387677213 /nfs/dbraw/zinc/67/72/13/387677213.db2.gz BEQWTRAKQHNJRQ-VIFPVBQESA-N 1 2 224.270 1.617 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000376940396 387681466 /nfs/dbraw/zinc/68/14/66/387681466.db2.gz GXRUIXJVGSKONF-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cnn(CC)n2)o1 ZINC000527733794 387683052 /nfs/dbraw/zinc/68/30/52/387683052.db2.gz GUOGIUIDMMNYSE-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO CCOCC1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000422783711 387684854 /nfs/dbraw/zinc/68/48/54/387684854.db2.gz HOSHTSBAMJNMRO-UHFFFAOYSA-N 1 2 235.287 1.249 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000356655224 387690367 /nfs/dbraw/zinc/69/03/67/387690367.db2.gz WXZOOFNMFMUZPJ-NXEZZACHSA-N 1 2 239.294 1.310 20 0 BDADLO COC[C@H]1C[N@H+](CCC(F)(F)F)CCO1 ZINC000363169599 387693974 /nfs/dbraw/zinc/69/39/74/387693974.db2.gz UDRSFFAVADZCEV-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO COC[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 ZINC000363169599 387693977 /nfs/dbraw/zinc/69/39/77/387693977.db2.gz UDRSFFAVADZCEV-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCC1(C)CC1 ZINC000431969484 387743329 /nfs/dbraw/zinc/74/33/29/387743329.db2.gz FDUNSQNZGSHCNS-UHFFFAOYSA-N 1 2 249.314 1.690 20 0 BDADLO Cn1ccc(N2CC[C@@H](Nc3cccc[nH+]3)C2)n1 ZINC000377730436 387745510 /nfs/dbraw/zinc/74/55/10/387745510.db2.gz RSAIJOOVRVESJL-LLVKDONJSA-N 1 2 243.314 1.506 20 0 BDADLO CCC[C@@]1(CO)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000377839779 387751294 /nfs/dbraw/zinc/75/12/94/387751294.db2.gz MGROWYJSRHHYOD-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO CCC[C@@]1(CO)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000377839779 387751299 /nfs/dbraw/zinc/75/12/99/387751299.db2.gz MGROWYJSRHHYOD-CYBMUJFWSA-N 1 2 237.347 1.703 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[C@@H]1C ZINC000431315372 387700620 /nfs/dbraw/zinc/70/06/20/387700620.db2.gz XXOLGVKDMAIXJE-ONGXEEELSA-N 1 2 249.314 1.688 20 0 BDADLO CCn1ncc(C[NH2+]Cc2csc(C)c2)n1 ZINC000527737847 387703955 /nfs/dbraw/zinc/70/39/55/387703955.db2.gz YXZCYNODFXUNNJ-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO C[N@H+](CCCO)Cc1cn(-c2ccccc2)nn1 ZINC000440956789 387717044 /nfs/dbraw/zinc/71/70/44/387717044.db2.gz LDTJROPRJHLQFL-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO C[N@@H+](CCCO)Cc1cn(-c2ccccc2)nn1 ZINC000440956789 387717049 /nfs/dbraw/zinc/71/70/49/387717049.db2.gz LDTJROPRJHLQFL-UHFFFAOYSA-N 1 2 246.314 1.082 20 0 BDADLO Cc1ocnc1CNc1cc[nH+]c2ccncc12 ZINC000356792065 387723189 /nfs/dbraw/zinc/72/31/89/387723189.db2.gz JAVYGAUSBNLBOL-UHFFFAOYSA-N 1 2 240.266 1.960 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC[C@H]2C)oc1C ZINC000367637720 387737058 /nfs/dbraw/zinc/73/70/58/387737058.db2.gz YZUZODKKMOXNEF-SECBINFHSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC[C@H]2C)oc1C ZINC000367637720 387737060 /nfs/dbraw/zinc/73/70/60/387737060.db2.gz YZUZODKKMOXNEF-SECBINFHSA-N 1 2 224.304 1.902 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccccn1 ZINC000115741459 387738816 /nfs/dbraw/zinc/73/88/16/387738816.db2.gz SPHMBSVKNFMAMT-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccccn1 ZINC000115741459 387738820 /nfs/dbraw/zinc/73/88/20/387738820.db2.gz SPHMBSVKNFMAMT-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO COC[C@H]1CCN1c1cc[nH+]c(C(C)C)n1 ZINC000432166059 387768010 /nfs/dbraw/zinc/76/80/10/387768010.db2.gz JNKSXFGUHZKLFD-SNVBAGLBSA-N 1 2 221.304 1.825 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196904 387769525 /nfs/dbraw/zinc/76/95/25/387769525.db2.gz RUHHQPRBZHWPGV-SECBINFHSA-N 1 2 219.288 1.349 20 0 BDADLO CC(C)=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378196904 387769529 /nfs/dbraw/zinc/76/95/29/387769529.db2.gz RUHHQPRBZHWPGV-SECBINFHSA-N 1 2 219.288 1.349 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000526003358 259720235 /nfs/dbraw/zinc/72/02/35/259720235.db2.gz PMPMOWFXJTXFDH-UWVGGRQHSA-N 1 2 249.314 1.074 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000422911526 387770925 /nfs/dbraw/zinc/77/09/25/387770925.db2.gz TYXRDJSPQJRQFB-RDDDGLTNSA-N 1 2 242.269 1.879 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCOCC2)s1 ZINC000378391866 387781152 /nfs/dbraw/zinc/78/11/52/387781152.db2.gz DUYFKQCDNRKASM-UHFFFAOYSA-N 1 2 213.306 1.069 20 0 BDADLO Cc1nnc(C[N@H+]2CCCOCC2)s1 ZINC000378391866 387781155 /nfs/dbraw/zinc/78/11/55/387781155.db2.gz DUYFKQCDNRKASM-UHFFFAOYSA-N 1 2 213.306 1.069 20 0 BDADLO Cc1cocc1C(=O)NCCn1cc[nH+]c1 ZINC000527946431 387783464 /nfs/dbraw/zinc/78/34/64/387783464.db2.gz WAQXROYAKYWPHY-UHFFFAOYSA-N 1 2 219.244 1.215 20 0 BDADLO CCCc1noc(C[N@@H+]2CCOCC[C@H]2C)n1 ZINC000378485835 387786991 /nfs/dbraw/zinc/78/69/91/387786991.db2.gz BQEZUVXOLOOGNE-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CCOCC[C@H]2C)n1 ZINC000378485835 387786992 /nfs/dbraw/zinc/78/69/92/387786992.db2.gz BQEZUVXOLOOGNE-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO c1cnn(C2C[NH+](Cc3cc[nH]c3)C2)c1 ZINC000359971061 387790129 /nfs/dbraw/zinc/79/01/29/387790129.db2.gz AYHSJBHVBQJHEM-UHFFFAOYSA-N 1 2 202.261 1.268 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](O)C2)o1 ZINC000055487576 387832992 /nfs/dbraw/zinc/83/29/92/387832992.db2.gz WXZUTUNBACVGGZ-JTQLQIEISA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](O)C2)o1 ZINC000055487576 387832998 /nfs/dbraw/zinc/83/29/98/387832998.db2.gz WXZUTUNBACVGGZ-JTQLQIEISA-N 1 2 238.331 1.929 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000151413465 387837707 /nfs/dbraw/zinc/83/77/07/387837707.db2.gz VECZKIJMDPFTKJ-GFCCVEGCSA-N 1 2 234.299 1.782 20 0 BDADLO c1nc(C[N@@H+]2CCOCC3(CC3)C2)co1 ZINC000432919695 387841609 /nfs/dbraw/zinc/84/16/09/387841609.db2.gz RZCMMMOKDXSGEG-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO c1nc(C[N@H+]2CCOCC3(CC3)C2)co1 ZINC000432919695 387841614 /nfs/dbraw/zinc/84/16/14/387841614.db2.gz RZCMMMOKDXSGEG-UHFFFAOYSA-N 1 2 208.261 1.287 20 0 BDADLO CCC[C@@H](CNc1cc[nH+]c(C)n1)OCC ZINC000528086468 387844134 /nfs/dbraw/zinc/84/41/34/387844134.db2.gz WKDZIWVJQUVBBN-NSHDSACASA-N 1 2 223.320 1.824 20 0 BDADLO CCc1ocnc1C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442805303 387844768 /nfs/dbraw/zinc/84/47/68/387844768.db2.gz ZYSPUWZOSPJWPL-QMMMGPOBSA-N 1 2 248.286 1.841 20 0 BDADLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]CC1CC1 ZINC000433042349 387856025 /nfs/dbraw/zinc/85/60/25/387856025.db2.gz YWKFQHWDXMIWDT-CYBMUJFWSA-N 1 2 248.326 1.555 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@H]1C[C@H]1C ZINC000452571746 387861423 /nfs/dbraw/zinc/86/14/23/387861423.db2.gz PKSZRUSMZSQZQQ-NXEZZACHSA-N 1 2 221.304 1.565 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@H]1C ZINC000452571835 387861471 /nfs/dbraw/zinc/86/14/71/387861471.db2.gz QBDSULCVWBWKHS-MNOVXSKESA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccoc1C ZINC000452571951 387861689 /nfs/dbraw/zinc/86/16/89/387861689.db2.gz FXADQEYYDKCBEQ-UHFFFAOYSA-N 1 2 233.271 1.734 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1CC(C)(C)C1 ZINC000452571020 387861744 /nfs/dbraw/zinc/86/17/44/387861744.db2.gz NEVBCTBDQCLYLN-UHFFFAOYSA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H](OC)C(C)C ZINC000452571873 387862371 /nfs/dbraw/zinc/86/23/71/387862371.db2.gz QMMNAQJQYNLTEK-LLVKDONJSA-N 1 2 239.319 1.190 20 0 BDADLO C[C@@]1(Nc2cc[nH+]c(C3CC3)n2)CCOC1 ZINC000153482428 387890361 /nfs/dbraw/zinc/89/03/61/387890361.db2.gz HZFGMRDLTGLGOZ-GFCCVEGCSA-N 1 2 219.288 1.945 20 0 BDADLO CC/C=C\CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000452613475 387877122 /nfs/dbraw/zinc/87/71/22/387877122.db2.gz NYJOIMMHGFIECK-HYXAFXHYSA-N 1 2 243.310 1.959 20 0 BDADLO CCC[C@H](CC)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423116588 387898562 /nfs/dbraw/zinc/89/85/62/387898562.db2.gz QMVGEYILUMPMBS-WPRPVWTQSA-N 1 2 241.360 1.838 20 0 BDADLO C[C@@H]1CC[C@@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000528228607 387884693 /nfs/dbraw/zinc/88/46/93/387884693.db2.gz BEVDYOLWIAKRBT-BDAKNGLRSA-N 1 2 234.259 1.554 20 0 BDADLO CC[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(F)F ZINC000452672726 387884863 /nfs/dbraw/zinc/88/48/63/387884863.db2.gz OFTAENQQWBQMKT-ZETCQYMHSA-N 1 2 245.273 1.847 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000528359724 387910650 /nfs/dbraw/zinc/91/06/50/387910650.db2.gz QCDVPHXURIYQGG-SECBINFHSA-N 1 2 239.344 1.372 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000528359724 387910655 /nfs/dbraw/zinc/91/06/55/387910655.db2.gz QCDVPHXURIYQGG-SECBINFHSA-N 1 2 239.344 1.372 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C)[C@@H](C)O1 ZINC000438362207 387929370 /nfs/dbraw/zinc/92/93/70/387929370.db2.gz XACXNBBWFDOSHG-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)[C@H](C)[C@@H](C)O1 ZINC000438362207 387929374 /nfs/dbraw/zinc/92/93/74/387929374.db2.gz XACXNBBWFDOSHG-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)[C@H](C)[C@@H](C)O1 ZINC000438362207 387929378 /nfs/dbraw/zinc/92/93/78/387929378.db2.gz XACXNBBWFDOSHG-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438378560 387930662 /nfs/dbraw/zinc/93/06/62/387930662.db2.gz YZDIYYRTTFOLFJ-SDDRHHMPSA-N 1 2 237.347 1.901 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438378560 387930668 /nfs/dbraw/zinc/93/06/68/387930668.db2.gz YZDIYYRTTFOLFJ-SDDRHHMPSA-N 1 2 237.347 1.901 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cn1 ZINC000438383350 387933390 /nfs/dbraw/zinc/93/33/90/387933390.db2.gz QXYBVFUWICIZNX-QJPTWQEYSA-N 1 2 235.331 1.783 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cn1 ZINC000438383350 387933394 /nfs/dbraw/zinc/93/33/94/387933394.db2.gz QXYBVFUWICIZNX-QJPTWQEYSA-N 1 2 235.331 1.783 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@@H](C)[C@@H](C)O1 ZINC000438353782 387927434 /nfs/dbraw/zinc/92/74/34/387927434.db2.gz NUDKTCSCZHEAIT-KXUCPTDWSA-N 1 2 209.293 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](C)[C@@H](C)O1 ZINC000438353782 387927442 /nfs/dbraw/zinc/92/74/42/387927442.db2.gz NUDKTCSCZHEAIT-KXUCPTDWSA-N 1 2 209.293 1.407 20 0 BDADLO Cc1cc(N2CCc3ncsc3C2)nc[nH+]1 ZINC000445660529 387955879 /nfs/dbraw/zinc/95/58/79/387955879.db2.gz SQDBHCJZOSYYJF-UHFFFAOYSA-N 1 2 232.312 1.804 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1c(Cl)cnn1C ZINC000288344592 387978932 /nfs/dbraw/zinc/97/89/32/387978932.db2.gz BRTBSRDMJNAHPE-LURJTMIESA-N 1 2 205.664 1.521 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)C[C@H](C)O ZINC000245769510 387981511 /nfs/dbraw/zinc/98/15/11/387981511.db2.gz KFPQWMBJPZRGSM-DTWKUNHWSA-N 1 2 241.335 1.741 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)C[C@H](C)O ZINC000245769510 387981518 /nfs/dbraw/zinc/98/15/18/387981518.db2.gz KFPQWMBJPZRGSM-DTWKUNHWSA-N 1 2 241.335 1.741 20 0 BDADLO O[C@@H]1C[N@H+](CCC[C@H]2CCOC2)CC(F)(F)C1 ZINC000645886598 387981766 /nfs/dbraw/zinc/98/17/66/387981766.db2.gz XLYMJENYEWOCTC-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)CC(F)(F)C1 ZINC000645886598 387981772 /nfs/dbraw/zinc/98/17/72/387981772.db2.gz XLYMJENYEWOCTC-QWRGUYRKSA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000245851585 387988714 /nfs/dbraw/zinc/98/87/14/387988714.db2.gz CXXFZSCSGLIMQJ-BDAKNGLRSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000245851585 387988716 /nfs/dbraw/zinc/98/87/16/387988716.db2.gz CXXFZSCSGLIMQJ-BDAKNGLRSA-N 1 2 209.293 1.856 20 0 BDADLO O[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000645886597 387982090 /nfs/dbraw/zinc/98/20/90/387982090.db2.gz XLYMJENYEWOCTC-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)CC(F)(F)C1 ZINC000645886597 387982093 /nfs/dbraw/zinc/98/20/93/387982093.db2.gz XLYMJENYEWOCTC-MNOVXSKESA-N 1 2 249.301 1.505 20 0 BDADLO C1=C(C[N@@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000645885757 387984552 /nfs/dbraw/zinc/98/45/52/387984552.db2.gz CRCYBHHUINTABZ-UHFFFAOYSA-N 1 2 204.277 1.273 20 0 BDADLO C1=C(C[N@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000645885757 387984555 /nfs/dbraw/zinc/98/45/55/387984555.db2.gz CRCYBHHUINTABZ-UHFFFAOYSA-N 1 2 204.277 1.273 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@H](C)[C@H](C)O1 ZINC000446077916 387997626 /nfs/dbraw/zinc/99/76/26/387997626.db2.gz GHUOJQFSCBEIQV-MXWKQRLJSA-N 1 2 240.347 1.105 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@H](C)[C@H](C)O1 ZINC000446077916 387997630 /nfs/dbraw/zinc/99/76/30/387997630.db2.gz GHUOJQFSCBEIQV-MXWKQRLJSA-N 1 2 240.347 1.105 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000439954293 388025506 /nfs/dbraw/zinc/02/55/06/388025506.db2.gz RMCGHDCWPPSQTE-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO CC[C@@H](C[C@H](C)CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000439703826 388014797 /nfs/dbraw/zinc/01/47/97/388014797.db2.gz BIYJXFXRMNUKCS-JQWIXIFHSA-N 1 2 249.358 1.985 20 0 BDADLO COCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000082276457 388021067 /nfs/dbraw/zinc/02/10/67/388021067.db2.gz UUHZXPFGAPVCSE-UHFFFAOYSA-N 1 2 231.255 1.662 20 0 BDADLO CO[C@]1(CNc2cccc[nH+]2)CCOC1 ZINC000156876292 388043250 /nfs/dbraw/zinc/04/32/50/388043250.db2.gz GKOUJTYHGYHGLB-NSHDSACASA-N 1 2 208.261 1.299 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H](C)O1 ZINC000246306633 388030744 /nfs/dbraw/zinc/03/07/44/388030744.db2.gz CFCAVPWEBNNWBD-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H](C)O1 ZINC000246306633 388030749 /nfs/dbraw/zinc/03/07/49/388030749.db2.gz CFCAVPWEBNNWBD-ZYHUDNBSSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000156771908 388031917 /nfs/dbraw/zinc/03/19/17/388031917.db2.gz FFYPJEJYFPQQKX-SECBINFHSA-N 1 2 240.376 1.836 20 0 BDADLO CC[C@@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000156771908 388031923 /nfs/dbraw/zinc/03/19/23/388031923.db2.gz FFYPJEJYFPQQKX-SECBINFHSA-N 1 2 240.376 1.836 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000440522073 388051189 /nfs/dbraw/zinc/05/11/89/388051189.db2.gz DGQKQSWZYAQVSK-ZJUUUORDSA-N 1 2 232.343 1.970 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000440522073 388051192 /nfs/dbraw/zinc/05/11/92/388051192.db2.gz DGQKQSWZYAQVSK-ZJUUUORDSA-N 1 2 232.343 1.970 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnn(C)n2)CC(C)(C)C1 ZINC000440522244 388051261 /nfs/dbraw/zinc/05/12/61/388051261.db2.gz DJBXECAUKUZJHV-VIFPVBQESA-N 1 2 223.324 1.078 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnn(C)n2)CC(C)(C)C1 ZINC000440522244 388051265 /nfs/dbraw/zinc/05/12/65/388051265.db2.gz DJBXECAUKUZJHV-VIFPVBQESA-N 1 2 223.324 1.078 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000440530291 388053227 /nfs/dbraw/zinc/05/32/27/388053227.db2.gz JZHHIDYHAMNBQD-ZJUUUORDSA-N 1 2 216.300 1.287 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000440530291 388053231 /nfs/dbraw/zinc/05/32/31/388053231.db2.gz JZHHIDYHAMNBQD-ZJUUUORDSA-N 1 2 216.300 1.287 20 0 BDADLO CNC(=O)CSCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000440599087 388061142 /nfs/dbraw/zinc/06/11/42/388061142.db2.gz NZURDDRZGSUGPY-UHFFFAOYSA-N 1 2 249.339 1.851 20 0 BDADLO CNC(=O)CSCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000440599087 388061147 /nfs/dbraw/zinc/06/11/47/388061147.db2.gz NZURDDRZGSUGPY-UHFFFAOYSA-N 1 2 249.339 1.851 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000440700590 388069445 /nfs/dbraw/zinc/06/94/45/388069445.db2.gz GYNQPQJMCFAFBJ-LLVKDONJSA-N 1 2 230.327 1.535 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](C)C1 ZINC000160591015 388076714 /nfs/dbraw/zinc/07/67/14/388076714.db2.gz IFKXJUOZICQGAD-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CCO[C@H](C)C1 ZINC000160591015 388076717 /nfs/dbraw/zinc/07/67/17/388076717.db2.gz IFKXJUOZICQGAD-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C)C(=O)OC ZINC000447799223 388093551 /nfs/dbraw/zinc/09/35/51/388093551.db2.gz GNMZMJRDXGITJF-MMWGEVLESA-N 1 2 243.347 1.587 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C)C(=O)OC ZINC000447799225 388094386 /nfs/dbraw/zinc/09/43/86/388094386.db2.gz GNMZMJRDXGITJF-YTWAJWBKSA-N 1 2 243.347 1.587 20 0 BDADLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1F ZINC000424531513 388098355 /nfs/dbraw/zinc/09/83/55/388098355.db2.gz WFLYVEUGMCNJTG-ONGXEEELSA-N 1 2 225.267 1.138 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000042666263 388101511 /nfs/dbraw/zinc/10/15/11/388101511.db2.gz UHUWNXOEEXKXDM-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000042666263 388101515 /nfs/dbraw/zinc/10/15/15/388101515.db2.gz UHUWNXOEEXKXDM-JTQLQIEISA-N 1 2 239.319 1.225 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCC[C@H](OC)C2)n1 ZINC000170819202 388106793 /nfs/dbraw/zinc/10/67/93/388106793.db2.gz PBPQLOKSPOFLHP-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCC[C@H](OC)C2)n1 ZINC000170819202 388106796 /nfs/dbraw/zinc/10/67/96/388106796.db2.gz PBPQLOKSPOFLHP-UWVGGRQHSA-N 1 2 239.319 1.804 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000440503275 388047451 /nfs/dbraw/zinc/04/74/51/388047451.db2.gz TWOCANXLGLPRIM-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000440503275 388047453 /nfs/dbraw/zinc/04/74/53/388047453.db2.gz TWOCANXLGLPRIM-GXSJLCMTSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000440503276 388047649 /nfs/dbraw/zinc/04/76/49/388047649.db2.gz TWOCANXLGLPRIM-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000440503276 388047653 /nfs/dbraw/zinc/04/76/53/388047653.db2.gz TWOCANXLGLPRIM-KOLCDFICSA-N 1 2 217.284 1.762 20 0 BDADLO C[C@H]1CC[C@@]2(CC[N@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516831 388048492 /nfs/dbraw/zinc/04/84/92/388048492.db2.gz PJWYYBSRQOCJDF-CMPLNLGQSA-N 1 2 235.335 1.222 20 0 BDADLO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516831 388048493 /nfs/dbraw/zinc/04/84/93/388048493.db2.gz PJWYYBSRQOCJDF-CMPLNLGQSA-N 1 2 235.335 1.222 20 0 BDADLO Cn1nnc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)n1 ZINC000440536483 388050787 /nfs/dbraw/zinc/05/07/87/388050787.db2.gz UGEFLZFBUAFKMF-SECBINFHSA-N 1 2 223.324 1.221 20 0 BDADLO Cn1nnc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)n1 ZINC000440536483 388050790 /nfs/dbraw/zinc/05/07/90/388050790.db2.gz UGEFLZFBUAFKMF-SECBINFHSA-N 1 2 223.324 1.221 20 0 BDADLO Cc1nocc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000646162290 388158299 /nfs/dbraw/zinc/15/82/99/388158299.db2.gz MJFYPXAXYRQJLZ-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1nocc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000646162290 388158301 /nfs/dbraw/zinc/15/83/01/388158301.db2.gz MJFYPXAXYRQJLZ-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000449256930 388163484 /nfs/dbraw/zinc/16/34/84/388163484.db2.gz KETWHLSHVZAQSY-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000449256930 388163487 /nfs/dbraw/zinc/16/34/87/388163487.db2.gz KETWHLSHVZAQSY-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 ZINC000449298530 388168863 /nfs/dbraw/zinc/16/88/63/388168863.db2.gz KFSJKDUTPKHUQE-RKDXNWHRSA-N 1 2 211.261 1.362 20 0 BDADLO O=C(CC1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646256993 388171070 /nfs/dbraw/zinc/17/10/70/388171070.db2.gz LCFHORBNCBDKHR-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO O=C(CC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646256993 388171071 /nfs/dbraw/zinc/17/10/71/388171071.db2.gz LCFHORBNCBDKHR-UHFFFAOYSA-N 1 2 205.261 1.095 20 0 BDADLO Cc1occc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259137 388172015 /nfs/dbraw/zinc/17/20/15/388172015.db2.gz IGLSSWILQZZBRX-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO Cc1occc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259137 388172017 /nfs/dbraw/zinc/17/20/17/388172017.db2.gz IGLSSWILQZZBRX-UHFFFAOYSA-N 1 2 231.255 1.510 20 0 BDADLO CCOCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259060 388172157 /nfs/dbraw/zinc/17/21/57/388172157.db2.gz COYXDUZZCHISFN-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCOCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259060 388172158 /nfs/dbraw/zinc/17/21/58/388172158.db2.gz COYXDUZZCHISFN-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO O=C(CCC1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646259739 388172250 /nfs/dbraw/zinc/17/22/50/388172250.db2.gz WWBRDUDOARDSPB-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO O=C(CCC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646259739 388172252 /nfs/dbraw/zinc/17/22/52/388172252.db2.gz WWBRDUDOARDSPB-UHFFFAOYSA-N 1 2 219.288 1.485 20 0 BDADLO O=C(CC1CCCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646261623 388172845 /nfs/dbraw/zinc/17/28/45/388172845.db2.gz QYFGYBJGBUNPJI-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO O=C(CC1CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646261623 388172847 /nfs/dbraw/zinc/17/28/47/388172847.db2.gz QYFGYBJGBUNPJI-UHFFFAOYSA-N 1 2 233.315 1.875 20 0 BDADLO C=Cn1cc(C[NH2+]C(CF)CF)cn1 ZINC000449378873 388188331 /nfs/dbraw/zinc/18/83/31/388188331.db2.gz GFIJIXAIROOKPN-UHFFFAOYSA-N 1 2 201.220 1.381 20 0 BDADLO Cc1c[nH+]c(CN(C(C)C)C2COC2)n1C ZINC000449349782 388179248 /nfs/dbraw/zinc/17/92/48/388179248.db2.gz HUTOJBVQPNOGOL-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO CC[C@H]([NH2+]Cc1cn(C)nc1C)C(F)F ZINC000449356785 388180597 /nfs/dbraw/zinc/18/05/97/388180597.db2.gz AUEWFFNCEGCWEB-VIFPVBQESA-N 1 2 217.263 1.862 20 0 BDADLO COC(=O)c1occc1C[NH+]1CC2(CC2)C1 ZINC000449370020 388184483 /nfs/dbraw/zinc/18/44/83/388184483.db2.gz HNGCJSIPTNJBIO-UHFFFAOYSA-N 1 2 221.256 1.662 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1C[C@H]1C ZINC000454453471 388118464 /nfs/dbraw/zinc/11/84/64/388118464.db2.gz ZEPRJSBQLMMITL-UTLUCORTSA-N 1 2 236.319 1.672 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448989214 388125837 /nfs/dbraw/zinc/12/58/37/388125837.db2.gz DDFQLWHSVZSNTN-AOOOYVTPSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448989214 388125840 /nfs/dbraw/zinc/12/58/40/388125840.db2.gz DDFQLWHSVZSNTN-AOOOYVTPSA-N 1 2 238.335 1.216 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)nn1C ZINC000646060792 388135305 /nfs/dbraw/zinc/13/53/05/388135305.db2.gz QJQXYZCWRAMKJP-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)nn1C ZINC000646060792 388135306 /nfs/dbraw/zinc/13/53/06/388135306.db2.gz QJQXYZCWRAMKJP-AWEZNQCLSA-N 1 2 249.358 1.729 20 0 BDADLO Cc1cc(NC(=O)NCCC2(CO)CC2)cc[nH+]1 ZINC000455032213 388145670 /nfs/dbraw/zinc/14/56/70/388145670.db2.gz ATTVUDQGHWGNIB-UHFFFAOYSA-N 1 2 249.314 1.096 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC[C@@H](C)F ZINC000455037197 388146273 /nfs/dbraw/zinc/14/62/73/388146273.db2.gz RRMWZKRQQVHRSC-SECBINFHSA-N 1 2 225.267 1.682 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC[C@H](C)F ZINC000455037198 388146496 /nfs/dbraw/zinc/14/64/96/388146496.db2.gz RRMWZKRQQVHRSC-VIFPVBQESA-N 1 2 225.267 1.682 20 0 BDADLO CCC[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449646619 388248842 /nfs/dbraw/zinc/24/88/42/388248842.db2.gz BTTNSJLHSPXHFD-NXEZZACHSA-N 1 2 248.317 1.784 20 0 BDADLO COC[C@@H](CC(C)C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449658185 388249272 /nfs/dbraw/zinc/24/92/72/388249272.db2.gz AOTOLZKAMOJYCA-NWDGAFQWSA-N 1 2 245.363 1.977 20 0 BDADLO C[C@H](CF)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000490715452 388249861 /nfs/dbraw/zinc/24/98/61/388249861.db2.gz XBFYGVISZZOCOZ-SSDOTTSWSA-N 1 2 213.256 1.162 20 0 BDADLO Cc1ccncc1C[NH2+]C(CF)CF ZINC000449380209 388188858 /nfs/dbraw/zinc/18/88/58/388188858.db2.gz MESJMYBUCPEATH-UHFFFAOYSA-N 1 2 200.232 1.787 20 0 BDADLO COCCn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000449384296 388189728 /nfs/dbraw/zinc/18/97/28/388189728.db2.gz AVBNOWITKFYQHA-LLVKDONJSA-N 1 2 227.283 1.073 20 0 BDADLO COCCn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000449384296 388189731 /nfs/dbraw/zinc/18/97/31/388189731.db2.gz AVBNOWITKFYQHA-LLVKDONJSA-N 1 2 227.283 1.073 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@H](F)C2)oc1C ZINC000449398845 388193913 /nfs/dbraw/zinc/19/39/13/388193913.db2.gz ZCXGRMODESBDDK-VIFPVBQESA-N 1 2 241.262 1.918 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@H](F)C2)oc1C ZINC000449398845 388193916 /nfs/dbraw/zinc/19/39/16/388193916.db2.gz ZCXGRMODESBDDK-VIFPVBQESA-N 1 2 241.262 1.918 20 0 BDADLO CCn1nnc(C)c1C[NH2+][C@@H](C)C(C)(F)F ZINC000449414101 388197826 /nfs/dbraw/zinc/19/78/26/388197826.db2.gz LDTHDFPSWOOHDE-QMMMGPOBSA-N 1 2 232.278 1.740 20 0 BDADLO CC[C@H](OC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456386781 388198385 /nfs/dbraw/zinc/19/83/85/388198385.db2.gz NGPZWWIABDUXAT-ZJUUUORDSA-N 1 2 239.319 1.505 20 0 BDADLO CC[N@H+](Cc1ccccc1OC)C1COC1 ZINC000449429052 388202558 /nfs/dbraw/zinc/20/25/58/388202558.db2.gz WCWXVNRHTVDWRV-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CC[N@@H+](Cc1ccccc1OC)C1COC1 ZINC000449429052 388202560 /nfs/dbraw/zinc/20/25/60/388202560.db2.gz WCWXVNRHTVDWRV-UHFFFAOYSA-N 1 2 221.300 1.916 20 0 BDADLO CCOc1ccccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000449521805 388223188 /nfs/dbraw/zinc/22/31/88/388223188.db2.gz HQRCQZAJWQENEQ-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1ccccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000449521805 388223189 /nfs/dbraw/zinc/22/31/89/388223189.db2.gz HQRCQZAJWQENEQ-LLVKDONJSA-N 1 2 248.326 1.406 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449551505 388230927 /nfs/dbraw/zinc/23/09/27/388230927.db2.gz GQAPUJSXAGFAEZ-BZPMIXESSA-N 1 2 249.358 1.701 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449551505 388230929 /nfs/dbraw/zinc/23/09/29/388230929.db2.gz GQAPUJSXAGFAEZ-BZPMIXESSA-N 1 2 249.358 1.701 20 0 BDADLO Cc1nc(N2[C@@H](C)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000490119284 388235187 /nfs/dbraw/zinc/23/51/87/388235187.db2.gz KYEXHIAMCZLFHW-IUCAKERBSA-N 1 2 235.335 1.623 20 0 BDADLO Cc1nc(N(C)C)nc(N2[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC000490119284 388235189 /nfs/dbraw/zinc/23/51/89/388235189.db2.gz KYEXHIAMCZLFHW-IUCAKERBSA-N 1 2 235.335 1.623 20 0 BDADLO CC=CC=CC(=O)Nc1cc[nH+]cc1C ZINC000491308756 388284574 /nfs/dbraw/zinc/28/45/74/388284574.db2.gz ZJNAYOIGFWSEDF-ICWBMWKASA-N 1 2 202.257 1.883 20 0 BDADLO CC[C@@H]1C[N@H+](CC)CCN1Cc1n[nH]c(C)n1 ZINC000451741327 388292688 /nfs/dbraw/zinc/29/26/88/388292688.db2.gz ODRYGFXYAFLADB-LLVKDONJSA-N 1 2 237.351 1.029 20 0 BDADLO CC[C@@H]1C[N@@H+](CC)CCN1Cc1n[nH]c(C)n1 ZINC000451741327 388292690 /nfs/dbraw/zinc/29/26/90/388292690.db2.gz ODRYGFXYAFLADB-LLVKDONJSA-N 1 2 237.351 1.029 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccncc1 ZINC000491643610 388307679 /nfs/dbraw/zinc/30/76/79/388307679.db2.gz OQHLFJIUJAGGHG-NSCUHMNNSA-N 1 2 242.282 1.477 20 0 BDADLO O=C(C=Cc1ccc[nH]1)Nc1cc[nH+]cc1O ZINC000492036435 388332462 /nfs/dbraw/zinc/33/24/62/388332462.db2.gz WPSVICYXZBUIOO-ONEGZZNKSA-N 1 2 229.239 1.189 20 0 BDADLO Cc1cc(NC(=O)C=Cc2cnccn2)cc[nH+]1 ZINC000491847022 388324586 /nfs/dbraw/zinc/32/45/86/388324586.db2.gz PNUKADYKYCBQKD-NSCUHMNNSA-N 1 2 240.266 1.254 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C\C1CC1 ZINC000491911296 388327493 /nfs/dbraw/zinc/32/74/93/388327493.db2.gz RIUPYJRVUNCHHA-PLNGDYQASA-N 1 2 205.261 1.003 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc[nH]1 ZINC000491959055 388329715 /nfs/dbraw/zinc/32/97/15/388329715.db2.gz VBFROXMJJXAHMO-SNAWJCMRSA-N 1 2 230.271 1.078 20 0 BDADLO O=C(/C=C/c1ccc[nH]1)NCc1[nH]cc[nH+]1 ZINC000491990612 388330839 /nfs/dbraw/zinc/33/08/39/388330839.db2.gz NGBNCVDWQSHSNX-ONEGZZNKSA-N 1 2 216.244 1.067 20 0 BDADLO O=C(/C=C\c1ccncc1)NCCn1cc[nH+]c1 ZINC000491186988 388276054 /nfs/dbraw/zinc/27/60/54/388276054.db2.gz QSNRNDAYDVYGRS-UPHRSURJSA-N 1 2 242.282 1.108 20 0 BDADLO CC[C@H]1C(=O)N(CC)CCN1c1cc[nH+]c(C)n1 ZINC000491246373 388279642 /nfs/dbraw/zinc/27/96/42/388279642.db2.gz FPAPXWKJYLHFAN-NSHDSACASA-N 1 2 248.330 1.232 20 0 BDADLO Cc1ccc(C=CC(=O)Nc2cc[nH+]cc2O)o1 ZINC000492311909 388341222 /nfs/dbraw/zinc/34/12/22/388341222.db2.gz JCDMTOFKOQMEHA-PLNGDYQASA-N 1 2 244.250 1.762 20 0 BDADLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)co1 ZINC000275796003 388346306 /nfs/dbraw/zinc/34/63/06/388346306.db2.gz OZGBZUWINHWWOD-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCOCC(F)F ZINC000276922655 388351778 /nfs/dbraw/zinc/35/17/78/388351778.db2.gz QZOYPOXXVJMNJB-UHFFFAOYSA-N 1 2 247.245 1.006 20 0 BDADLO CCC(CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524374337 388356581 /nfs/dbraw/zinc/35/65/81/388356581.db2.gz MPLHYDWXPYXIRV-UHFFFAOYSA-N 1 2 221.304 1.703 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2CCCC[C@H]2O)c1Cl ZINC000227849092 388371322 /nfs/dbraw/zinc/37/13/22/388371322.db2.gz IFAKRGUCNFVMMF-NKWVEPMBSA-N 1 2 242.710 1.428 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2CCCC[C@H]2O)c1Cl ZINC000227849092 388371324 /nfs/dbraw/zinc/37/13/24/388371324.db2.gz IFAKRGUCNFVMMF-NKWVEPMBSA-N 1 2 242.710 1.428 20 0 BDADLO Cn1cc[nH+]c1CNCC(F)(F)C(F)F ZINC000236084886 388377317 /nfs/dbraw/zinc/37/73/17/388377317.db2.gz BZCBLPGNYQFOFE-UHFFFAOYSA-N 1 2 225.189 1.410 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C)CC=CCC1 ZINC000572811675 388377883 /nfs/dbraw/zinc/37/78/83/388377883.db2.gz WLYZKJDXTLCXSX-CQSZACIVSA-N 1 2 247.342 1.825 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000572816332 388378934 /nfs/dbraw/zinc/37/89/34/388378934.db2.gz YLLZXIVDBJPDJB-GHMZBOCLSA-N 1 2 245.282 1.242 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]2C[C@H](C)O)no1 ZINC000228145447 388379416 /nfs/dbraw/zinc/37/94/16/388379416.db2.gz FAOXQEBTVDTWEL-WPRPVWTQSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)no1 ZINC000228145447 388379419 /nfs/dbraw/zinc/37/94/19/388379419.db2.gz FAOXQEBTVDTWEL-WPRPVWTQSA-N 1 2 225.292 1.113 20 0 BDADLO CC(C)CC1(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000572831308 388379783 /nfs/dbraw/zinc/37/97/83/388379783.db2.gz KZZHCCDAGKBAFG-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccn[nH]1)OC ZINC000294290848 388397918 /nfs/dbraw/zinc/39/79/18/388397918.db2.gz UECNNXDSVISQOO-MWLCHTKSSA-N 1 2 211.309 1.560 20 0 BDADLO O=C(/C=C/C1CC1)NCCc1[nH]cc[nH+]1 ZINC000492071669 388333485 /nfs/dbraw/zinc/33/34/85/388333485.db2.gz GHKOKSYVDGOVKL-ONEGZZNKSA-N 1 2 205.261 1.035 20 0 BDADLO C/C=C(/C=C/C(=O)NCc1[nH]cc[nH+]1)CC ZINC000492167455 388337172 /nfs/dbraw/zinc/33/71/72/388337172.db2.gz GXRQFTRACZEJAF-YXGJEIQZSA-N 1 2 219.288 1.938 20 0 BDADLO C/C=C(/C=C/C(=O)NCCc1[nH]cc[nH+]1)CC ZINC000492170517 388337366 /nfs/dbraw/zinc/33/73/66/388337366.db2.gz PLWAZORQDODQFM-BCTKWJPASA-N 1 2 233.315 1.981 20 0 BDADLO FC(F)CN1CC[NH+](CC2(F)CC2)CC1 ZINC000525976927 388439930 /nfs/dbraw/zinc/43/99/30/388439930.db2.gz JNIINCPWUWXCPQ-UHFFFAOYSA-N 1 2 222.254 1.371 20 0 BDADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000526003359 388453701 /nfs/dbraw/zinc/45/37/01/388453701.db2.gz PMPMOWFXJTXFDH-VHSXEESVSA-N 1 2 249.314 1.074 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000515468748 388464944 /nfs/dbraw/zinc/46/49/44/388464944.db2.gz WCRUNGLABLWPRI-KWQFWETISA-N 1 2 246.314 1.119 20 0 BDADLO O=C(N[C@H]1CC12CC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000515468748 388464949 /nfs/dbraw/zinc/46/49/49/388464949.db2.gz WCRUNGLABLWPRI-KWQFWETISA-N 1 2 246.314 1.119 20 0 BDADLO C[C@@H](C[NH+](C)C)N=c1nc(C(C)(C)C)o[nH]1 ZINC000336704118 388465565 /nfs/dbraw/zinc/46/55/65/388465565.db2.gz OWDPOIYDGSWACO-QMMMGPOBSA-N 1 2 226.324 1.151 20 0 BDADLO Cn1cc[nH+]c1CNc1ccnc2cccnc21 ZINC000338665883 388476099 /nfs/dbraw/zinc/47/60/99/388476099.db2.gz ZAAWTILGPDTBQQ-UHFFFAOYSA-N 1 2 239.282 1.397 20 0 BDADLO COC1(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000648827946 388417888 /nfs/dbraw/zinc/41/78/88/388417888.db2.gz FITSMULFZQEDGA-UHFFFAOYSA-N 1 2 245.282 1.130 20 0 BDADLO CCc1cnc(C[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000525275241 388423890 /nfs/dbraw/zinc/42/38/90/388423890.db2.gz ZBVLVPMUBFVADP-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@H+]2CCCO[C@H](C)C2)o1 ZINC000525275241 388423891 /nfs/dbraw/zinc/42/38/91/388423891.db2.gz ZBVLVPMUBFVADP-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO C[N@H+](Cc1csc(Cl)n1)CC(C)(C)O ZINC000297555511 388430894 /nfs/dbraw/zinc/43/08/94/388430894.db2.gz REXADSDRJPBEJN-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO C[N@@H+](Cc1csc(Cl)n1)CC(C)(C)O ZINC000297555511 388430896 /nfs/dbraw/zinc/43/08/96/388430896.db2.gz REXADSDRJPBEJN-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCC1(C)C ZINC000548460312 388540847 /nfs/dbraw/zinc/54/08/47/388540847.db2.gz LBLRCBZEGHTKLH-GFCCVEGCSA-N 1 2 249.358 1.905 20 0 BDADLO c1nc(C[NH2+]Cc2cnn3ccccc23)co1 ZINC000353034140 388541529 /nfs/dbraw/zinc/54/15/29/388541529.db2.gz LHPZMNAQIDRKIC-UHFFFAOYSA-N 1 2 228.255 1.612 20 0 BDADLO CC(C)(NC(=O)[C@@H]1C[C@@]12CCOC2)c1[nH]cc[nH+]1 ZINC000516481841 256778263 /nfs/dbraw/zinc/77/82/63/256778263.db2.gz SGNBQLOPQICKBV-TVQRCGJNSA-N 1 2 249.314 1.188 20 0 BDADLO Cc1cnccc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000528528062 388543568 /nfs/dbraw/zinc/54/35/68/388543568.db2.gz RSCNUSLNGXVJDX-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1cnccc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000528528062 388543570 /nfs/dbraw/zinc/54/35/70/388543570.db2.gz RSCNUSLNGXVJDX-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO COC(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC000135262539 388487771 /nfs/dbraw/zinc/48/77/71/388487771.db2.gz XJIGDVLGWNWWRV-UHFFFAOYSA-N 1 2 235.291 1.200 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1 ZINC000517391237 388548756 /nfs/dbraw/zinc/54/87/56/388548756.db2.gz LNBGIPIZIPBLIK-SNVBAGLBSA-N 1 2 244.298 1.300 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1 ZINC000517391237 388548757 /nfs/dbraw/zinc/54/87/57/388548757.db2.gz LNBGIPIZIPBLIK-SNVBAGLBSA-N 1 2 244.298 1.300 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000547928014 388495438 /nfs/dbraw/zinc/49/54/38/388495438.db2.gz CEFRUVGWTYYNQL-CYBMUJFWSA-N 1 2 237.299 1.383 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000547928014 388495440 /nfs/dbraw/zinc/49/54/40/388495440.db2.gz CEFRUVGWTYYNQL-CYBMUJFWSA-N 1 2 237.299 1.383 20 0 BDADLO CC(C)[C@@H](CO)C[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000343806211 388502088 /nfs/dbraw/zinc/50/20/88/388502088.db2.gz KGOYZEPQARGWIH-SNVBAGLBSA-N 1 2 233.315 1.661 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000516789473 256802035 /nfs/dbraw/zinc/80/20/35/256802035.db2.gz YXBIBVXQCMXLOE-QMMMGPOBSA-N 1 2 232.230 1.797 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](OC(F)F)C2)o1 ZINC000516789473 256802036 /nfs/dbraw/zinc/80/20/36/256802036.db2.gz YXBIBVXQCMXLOE-QMMMGPOBSA-N 1 2 232.230 1.797 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cnoc2C)CCO1 ZINC000135700618 388506229 /nfs/dbraw/zinc/50/62/29/388506229.db2.gz CTWRZVFIIGJMAE-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cnoc2C)CCO1 ZINC000135700618 388506231 /nfs/dbraw/zinc/50/62/31/388506231.db2.gz CTWRZVFIIGJMAE-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1csc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000344535794 388507813 /nfs/dbraw/zinc/50/78/13/388507813.db2.gz VUOQNWXBXQHLKG-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO Cc1cc(NCC[C@@H](C)CCO)nc[nH+]1 ZINC000397874579 388508422 /nfs/dbraw/zinc/50/84/22/388508422.db2.gz KGFCVIOCEZFDOC-SECBINFHSA-N 1 2 209.293 1.027 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1nc(C(C)C)no1 ZINC000345846801 388517899 /nfs/dbraw/zinc/51/78/99/388517899.db2.gz YDSOTKAZYFZUHZ-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000345846801 388517902 /nfs/dbraw/zinc/51/79/02/388517902.db2.gz YDSOTKAZYFZUHZ-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000528431649 388519007 /nfs/dbraw/zinc/51/90/07/388519007.db2.gz NEDMEJKGLVFCCI-WXLQGSQKSA-N 1 2 228.723 1.436 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000528431649 388519009 /nfs/dbraw/zinc/51/90/09/388519009.db2.gz NEDMEJKGLVFCCI-WXLQGSQKSA-N 1 2 228.723 1.436 20 0 BDADLO C/C(Cl)=C\C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000528387144 388519108 /nfs/dbraw/zinc/51/91/08/388519108.db2.gz LALKNNZMDZUIHW-VGANXODHSA-N 1 2 216.712 1.292 20 0 BDADLO C/C(Cl)=C\C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000528387144 388519110 /nfs/dbraw/zinc/51/91/10/388519110.db2.gz LALKNNZMDZUIHW-VGANXODHSA-N 1 2 216.712 1.292 20 0 BDADLO Cc1cc(NC(=O)Cc2ccoc2)c(C)c[nH+]1 ZINC000548192441 388520373 /nfs/dbraw/zinc/52/03/73/388520373.db2.gz JFUBVNQGCPEIEY-UHFFFAOYSA-N 1 2 230.267 1.895 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1cc(F)ccc1O ZINC000548191714 388520460 /nfs/dbraw/zinc/52/04/60/388520460.db2.gz ZZKWZQVZHHRMQV-UHFFFAOYSA-N 1 2 249.245 1.446 20 0 BDADLO C[C@@H]1CC[N@H+](CCCC(=O)N(C)C)CC1(F)F ZINC000516874996 388522827 /nfs/dbraw/zinc/52/28/27/388522827.db2.gz AJAAKDZZVNRUBA-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO C[C@@H]1CC[N@@H+](CCCC(=O)N(C)C)CC1(F)F ZINC000516874996 388522828 /nfs/dbraw/zinc/52/28/28/388522828.db2.gz AJAAKDZZVNRUBA-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000528427784 388524012 /nfs/dbraw/zinc/52/40/12/388524012.db2.gz KYOYIDTYUOIRIP-CBAPKCEASA-N 1 2 239.344 1.371 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnc(C2CC2)s1 ZINC000528427784 388524014 /nfs/dbraw/zinc/52/40/14/388524014.db2.gz KYOYIDTYUOIRIP-CBAPKCEASA-N 1 2 239.344 1.371 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2ccncc2C)n1 ZINC000528446631 388527756 /nfs/dbraw/zinc/52/77/56/388527756.db2.gz BSEMTUYOWKGVPY-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000516976064 388529880 /nfs/dbraw/zinc/52/98/80/388529880.db2.gz SXSWEWGICZHCSS-QMMMGPOBSA-N 1 2 239.344 1.514 20 0 BDADLO CCC[C@@H](OCC)C(=O)Nc1cc[nH+]cc1C ZINC000528466803 388530086 /nfs/dbraw/zinc/53/00/86/388530086.db2.gz PZUCFFNTLPHEEX-GFCCVEGCSA-N 1 2 236.315 1.956 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000528485183 388533796 /nfs/dbraw/zinc/53/37/96/388533796.db2.gz ANCZRBQYMFLRIV-QZGLAHODSA-N 1 2 237.752 1.248 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000528485183 388533797 /nfs/dbraw/zinc/53/37/97/388533797.db2.gz ANCZRBQYMFLRIV-QZGLAHODSA-N 1 2 237.752 1.248 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000055115474 388596249 /nfs/dbraw/zinc/59/62/49/388596249.db2.gz WBMLWCXSFIVQGR-JTQLQIEISA-N 1 2 245.282 1.846 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315573 388604101 /nfs/dbraw/zinc/60/41/01/388604101.db2.gz DJZWQFBFDQBXGJ-GHMZBOCLSA-N 1 2 225.288 1.424 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315573 388604104 /nfs/dbraw/zinc/60/41/04/388604104.db2.gz DJZWQFBFDQBXGJ-GHMZBOCLSA-N 1 2 225.288 1.424 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315616 388604334 /nfs/dbraw/zinc/60/43/34/388604334.db2.gz MUPPOFPZFIJKSQ-NWDGAFQWSA-N 1 2 239.315 1.814 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000649315616 388604336 /nfs/dbraw/zinc/60/43/36/388604336.db2.gz MUPPOFPZFIJKSQ-NWDGAFQWSA-N 1 2 239.315 1.814 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccs2)[C@H](C(N)=O)C1 ZINC000187396850 388608728 /nfs/dbraw/zinc/60/87/28/388608728.db2.gz CLJWJVYZFIAIEL-IUCAKERBSA-N 1 2 239.344 1.229 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccs2)[C@H](C(N)=O)C1 ZINC000187396850 388608731 /nfs/dbraw/zinc/60/87/31/388608731.db2.gz CLJWJVYZFIAIEL-IUCAKERBSA-N 1 2 239.344 1.229 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000550656941 388612406 /nfs/dbraw/zinc/61/24/06/388612406.db2.gz KAKYBLZMZJLJMD-GFCCVEGCSA-N 1 2 236.315 1.183 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000550656941 388612407 /nfs/dbraw/zinc/61/24/07/388612407.db2.gz KAKYBLZMZJLJMD-GFCCVEGCSA-N 1 2 236.315 1.183 20 0 BDADLO Cc1ccc2c(c1)C[N@H+]([C@@H]1CCNC1=O)CCO2 ZINC000285737669 388553080 /nfs/dbraw/zinc/55/30/80/388553080.db2.gz XZHBAYKZTQAPRO-GFCCVEGCSA-N 1 2 246.310 1.078 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCNC1=O)CCO2 ZINC000285737669 388553082 /nfs/dbraw/zinc/55/30/82/388553082.db2.gz XZHBAYKZTQAPRO-GFCCVEGCSA-N 1 2 246.310 1.078 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CC=C(C)C ZINC000521034130 388559407 /nfs/dbraw/zinc/55/94/07/388559407.db2.gz YJEOACJYJHYTCK-LLVKDONJSA-N 1 2 243.372 1.933 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CC=C(C)C ZINC000521034130 388559409 /nfs/dbraw/zinc/55/94/09/388559409.db2.gz YJEOACJYJHYTCK-LLVKDONJSA-N 1 2 243.372 1.933 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC(C)(OC)C2)cc1 ZINC000362308930 388561998 /nfs/dbraw/zinc/56/19/98/388561998.db2.gz MHPDQXNIHKMDEU-UHFFFAOYSA-N 1 2 249.310 1.694 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC000521093239 388562085 /nfs/dbraw/zinc/56/20/85/388562085.db2.gz IVMFMMAPQDRZOA-NSHDSACASA-N 1 2 249.358 1.857 20 0 BDADLO CC[C@@H](C)[C@H](CNc1cc(C)[nH+]cn1)OC ZINC000362976712 388563221 /nfs/dbraw/zinc/56/32/21/388563221.db2.gz LNNRPAKRHSFJMM-KOLCDFICSA-N 1 2 223.320 1.680 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCC12CC2 ZINC000528742111 388565370 /nfs/dbraw/zinc/56/53/70/388565370.db2.gz RUVKCCSERRXLGB-SNVBAGLBSA-N 1 2 233.315 1.915 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccno2)n[nH]1 ZINC000528791748 388574009 /nfs/dbraw/zinc/57/40/09/388574009.db2.gz GCBLEWTXZWISOP-NSHDSACASA-N 1 2 246.270 1.507 20 0 BDADLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccno2)n[nH]1 ZINC000528791748 388574010 /nfs/dbraw/zinc/57/40/10/388574010.db2.gz GCBLEWTXZWISOP-NSHDSACASA-N 1 2 246.270 1.507 20 0 BDADLO Cn1ncnc1NCc1cccc2[nH+]ccn21 ZINC000184286675 388576268 /nfs/dbraw/zinc/57/62/68/388576268.db2.gz PXBAOQMOJBJOIV-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000218202241 388576797 /nfs/dbraw/zinc/57/67/97/388576797.db2.gz VPZXWDMOJLLIKR-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000218202241 388576799 /nfs/dbraw/zinc/57/67/99/388576799.db2.gz VPZXWDMOJLLIKR-NWDGAFQWSA-N 1 2 243.347 1.829 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000528869871 388580220 /nfs/dbraw/zinc/58/02/20/388580220.db2.gz DVKMTPLNOLSQFI-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO Cc1cocc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000528869871 388580222 /nfs/dbraw/zinc/58/02/22/388580222.db2.gz DVKMTPLNOLSQFI-SECBINFHSA-N 1 2 245.282 1.598 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246215209 388623831 /nfs/dbraw/zinc/62/38/31/388623831.db2.gz CLQCWEZPSQLRJZ-ITGUQSILSA-N 1 2 247.342 1.778 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1c(C)ccn1C ZINC000189505411 388634923 /nfs/dbraw/zinc/63/49/23/388634923.db2.gz QTEHKOSZYFLZSD-UHFFFAOYSA-N 1 2 245.282 1.989 20 0 BDADLO CCCCNC(=O)CCCn1cc[nH+]c1 ZINC000620409222 388646481 /nfs/dbraw/zinc/64/64/81/388646481.db2.gz GTXWQKNLJKXFHO-UHFFFAOYSA-N 1 2 209.293 1.580 20 0 BDADLO CCC(=O)N1CCC[N@H+](Cc2cocn2)CC1 ZINC000530359383 388652157 /nfs/dbraw/zinc/65/21/57/388652157.db2.gz CJSBOBVWANHTEC-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO CCC(=O)N1CCC[N@@H+](Cc2cocn2)CC1 ZINC000530359383 388652159 /nfs/dbraw/zinc/65/21/59/388652159.db2.gz CJSBOBVWANHTEC-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO COC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000224071272 388661228 /nfs/dbraw/zinc/66/12/28/388661228.db2.gz RWYHOWYZASSVOP-UHFFFAOYSA-N 1 2 208.261 1.754 20 0 BDADLO C[N@H+](C[C@H]1CCCO1)CN1CC(C)(C)OC1=O ZINC000124188901 388661217 /nfs/dbraw/zinc/66/12/17/388661217.db2.gz FYVPPPSUZNGREW-SNVBAGLBSA-N 1 2 242.319 1.286 20 0 BDADLO C[N@@H+](C[C@H]1CCCO1)CN1CC(C)(C)OC1=O ZINC000124188901 388661219 /nfs/dbraw/zinc/66/12/19/388661219.db2.gz FYVPPPSUZNGREW-SNVBAGLBSA-N 1 2 242.319 1.286 20 0 BDADLO CC[N@@H+](CCO)Cc1ncc(COC)s1 ZINC000342685162 135304423 /nfs/dbraw/zinc/30/44/23/135304423.db2.gz WIXWTSUABKRFOZ-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H](C)O1 ZINC000251549965 388748960 /nfs/dbraw/zinc/74/89/60/388748960.db2.gz FAFKBPJCIBPKET-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H](C)O1 ZINC000251549965 388748963 /nfs/dbraw/zinc/74/89/63/388748963.db2.gz FAFKBPJCIBPKET-YPMHNXCESA-N 1 2 236.315 1.317 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248930159 388699289 /nfs/dbraw/zinc/69/92/89/388699289.db2.gz MGAUDWCHVNRBAU-WCQYABFASA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@](C)(CC)C1 ZINC000248930159 388699294 /nfs/dbraw/zinc/69/92/94/388699294.db2.gz MGAUDWCHVNRBAU-WCQYABFASA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C)nc1 ZINC000552406878 388703048 /nfs/dbraw/zinc/70/30/48/388703048.db2.gz VDXNQIWRVWEIHZ-AWEZNQCLSA-N 1 2 233.359 1.916 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(C)nc1 ZINC000552406878 388703049 /nfs/dbraw/zinc/70/30/49/388703049.db2.gz VDXNQIWRVWEIHZ-AWEZNQCLSA-N 1 2 233.359 1.916 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000193401433 388703567 /nfs/dbraw/zinc/70/35/67/388703567.db2.gz YQOXJZIPFRBZDT-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000193401433 388703570 /nfs/dbraw/zinc/70/35/70/388703570.db2.gz YQOXJZIPFRBZDT-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO CC[C@@]1(C)C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000249004370 388704006 /nfs/dbraw/zinc/70/40/06/388704006.db2.gz ZGKHBLGQJCTLHZ-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@]1(C)C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000249004370 388704010 /nfs/dbraw/zinc/70/40/10/388704010.db2.gz ZGKHBLGQJCTLHZ-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2csnn2)CC[C@H]1C ZINC000249120550 388709374 /nfs/dbraw/zinc/70/93/74/388709374.db2.gz BRNGMXKJCUABFD-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2csnn2)CC[C@H]1C ZINC000249120550 388709377 /nfs/dbraw/zinc/70/93/77/388709377.db2.gz BRNGMXKJCUABFD-PSASIEDQSA-N 1 2 227.333 1.395 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@H](C)O ZINC000249155401 388710294 /nfs/dbraw/zinc/71/02/94/388710294.db2.gz YONWENOJEWJYQV-LMLFDSFASA-N 1 2 229.320 1.077 20 0 BDADLO O=C(CC1CC(F)(F)C1)NCCn1cc[nH+]c1 ZINC000622308082 388715611 /nfs/dbraw/zinc/71/56/11/388715611.db2.gz UXQXGSVSHURBSH-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]1CCC(=O)[C@H]1C)c1[nH]cc[nH+]1 ZINC000552557258 388726086 /nfs/dbraw/zinc/72/60/86/388726086.db2.gz AKNAILQHSDXGJJ-AEJSXWLSSA-N 1 2 249.314 1.592 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000193093609 388757093 /nfs/dbraw/zinc/75/70/93/388757093.db2.gz XLKUOHCOZRISFP-RCWTZXSCSA-N 1 2 239.315 1.095 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@H](C)c1cscn1 ZINC000229586703 388796204 /nfs/dbraw/zinc/79/62/04/388796204.db2.gz NQAMSLIYBZTURL-MRVPVSSYSA-N 1 2 227.333 1.272 20 0 BDADLO Cc1nc(N[C@@]2(C)CCO[C@@H]2C)cc[nH+]1 ZINC000230099557 388814008 /nfs/dbraw/zinc/81/40/08/388814008.db2.gz CWIOOAVWWXTFMN-KCJUWKMLSA-N 1 2 207.277 1.764 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000539561049 388764983 /nfs/dbraw/zinc/76/49/83/388764983.db2.gz XSAJCUPHVPWODX-MNOVXSKESA-N 1 2 233.315 1.703 20 0 BDADLO C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC[NH+](C)C1 ZINC000252709489 388773524 /nfs/dbraw/zinc/77/35/24/388773524.db2.gz CZRYIQJPTUKPFP-HZSPNIEDSA-N 1 2 239.407 1.258 20 0 BDADLO COc1ccc[nH+]c1NCCC[C@@H](C)O ZINC000227679457 388775314 /nfs/dbraw/zinc/77/53/14/388775314.db2.gz XTRKHSPBYMVRKH-SECBINFHSA-N 1 2 210.277 1.663 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000553607968 388784232 /nfs/dbraw/zinc/78/42/32/388784232.db2.gz LPSLIDBGZRUWGK-SNVBAGLBSA-N 1 2 207.277 1.140 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000554512970 388818501 /nfs/dbraw/zinc/81/85/01/388818501.db2.gz DUIINCBVOQJQRQ-MNOVXSKESA-N 1 2 235.331 1.610 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)c1ccccc1 ZINC000129228362 388826558 /nfs/dbraw/zinc/82/65/58/388826558.db2.gz KLOPRXCHJUFEKX-HNNXBMFYSA-N 1 2 220.297 1.728 20 0 BDADLO O=C(c1cccc(O)c1)N1CC(n2cc[nH+]c2)C1 ZINC000540961528 388830898 /nfs/dbraw/zinc/83/08/98/388830898.db2.gz KBVVQRRFXQFWAP-UHFFFAOYSA-N 1 2 243.266 1.286 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000649119353 388834249 /nfs/dbraw/zinc/83/42/49/388834249.db2.gz CRUJOHXAYCMVBN-SNVBAGLBSA-N 1 2 235.331 1.702 20 0 BDADLO CC(C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523372838 388837002 /nfs/dbraw/zinc/83/70/02/388837002.db2.gz HYJSIUUDXWCDTE-UHFFFAOYSA-N 1 2 245.286 1.048 20 0 BDADLO CC(C)OCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129722608 388868686 /nfs/dbraw/zinc/86/86/86/388868686.db2.gz CPJAZXUYZNDSAS-NSHDSACASA-N 1 2 231.336 1.683 20 0 BDADLO CC(C)OCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129722608 388868687 /nfs/dbraw/zinc/86/86/87/388868687.db2.gz CPJAZXUYZNDSAS-NSHDSACASA-N 1 2 231.336 1.683 20 0 BDADLO COC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000648765356 388847155 /nfs/dbraw/zinc/84/71/55/388847155.db2.gz DRENZPJTPBTMJG-SNVBAGLBSA-N 1 2 249.314 1.295 20 0 BDADLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)(C)C ZINC000565208885 388925840 /nfs/dbraw/zinc/92/58/40/388925840.db2.gz PEJABAJFRNFJOX-SNVBAGLBSA-N 1 2 226.364 1.879 20 0 BDADLO CCC(CC)(CO)CNc1nc(C)[nH+]cc1C ZINC000565225851 388928004 /nfs/dbraw/zinc/92/80/04/388928004.db2.gz HRXZJJUOISFZMU-UHFFFAOYSA-N 1 2 237.347 1.726 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC(C)(C)C[C@@H]1C ZINC000565226167 388928667 /nfs/dbraw/zinc/92/86/67/388928667.db2.gz KPKCCMZMSMBMPX-QMMMGPOBSA-N 1 2 236.319 1.692 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC(C)(C)C[C@@H]1C ZINC000565226167 388928665 /nfs/dbraw/zinc/92/86/65/388928665.db2.gz KPKCCMZMSMBMPX-QMMMGPOBSA-N 1 2 236.319 1.692 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@H](C)[S@](C)=O ZINC000565229561 388929739 /nfs/dbraw/zinc/92/97/39/388929739.db2.gz SCPSGWLADUTYNR-FVMDXXJSSA-N 1 2 241.360 1.084 20 0 BDADLO CO[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC000275932271 132205557 /nfs/dbraw/zinc/20/55/57/132205557.db2.gz FYFGNFYPQYHBOO-GXSJLCMTSA-N 1 2 221.304 1.646 20 0 BDADLO Cn1cccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000153274991 388958917 /nfs/dbraw/zinc/95/89/17/388958917.db2.gz SYLSUPKKRLTJHC-UHFFFAOYSA-N 1 2 237.347 1.372 20 0 BDADLO Cn1cccc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000153274991 388958922 /nfs/dbraw/zinc/95/89/22/388958922.db2.gz SYLSUPKKRLTJHC-UHFFFAOYSA-N 1 2 237.347 1.372 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000565650202 388960015 /nfs/dbraw/zinc/96/00/15/388960015.db2.gz RKVMIGVTJXAVQK-RKDXNWHRSA-N 1 2 225.292 1.402 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ncccn2)c1C ZINC000565670983 388961424 /nfs/dbraw/zinc/96/14/24/388961424.db2.gz MGWPYUWHTJVDHP-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO CCCn1ncnc1C[N@H+](C)[C@@H]1CCSC1 ZINC000572570858 388962428 /nfs/dbraw/zinc/96/24/28/388962428.db2.gz SQMYEQVDBNOMEG-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000572570858 388962431 /nfs/dbraw/zinc/96/24/31/388962431.db2.gz SQMYEQVDBNOMEG-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO Cn1nncc1C[NH2+]Cc1c(F)cccc1F ZINC000268540061 389003501 /nfs/dbraw/zinc/00/35/01/389003501.db2.gz KQOSUJJRACKKFN-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO c1cn(Cc2ccc(N[C@H]3CCOC3)nc2)c[nH+]1 ZINC000566059532 388985496 /nfs/dbraw/zinc/98/54/96/388985496.db2.gz HQXVVLBRQGKGFO-LBPRGKRZSA-N 1 2 244.298 1.527 20 0 BDADLO CC(C)CC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000566107725 388987701 /nfs/dbraw/zinc/98/77/01/388987701.db2.gz QMEIZTWZDRHXFH-LLVKDONJSA-N 1 2 211.309 1.296 20 0 BDADLO CC[C@@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000164503977 535474376 /nfs/dbraw/zinc/47/43/76/535474376.db2.gz NQHLIRVGVZSAJY-SECBINFHSA-N 1 2 209.293 1.505 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1O ZINC000042417254 322838213 /nfs/dbraw/zinc/83/82/13/322838213.db2.gz UQJRVGMUDHZFBF-JTQLQIEISA-N 1 2 245.282 1.407 20 0 BDADLO CC(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000266453640 132187207 /nfs/dbraw/zinc/18/72/07/132187207.db2.gz XRJCFOXUALHKFQ-LBPRGKRZSA-N 1 2 248.330 1.138 20 0 BDADLO COC[C@H]1CN(c2cc[nH+]c(C)n2)C[C@@H](C)O1 ZINC000276045455 132205927 /nfs/dbraw/zinc/20/59/27/132205927.db2.gz PVRICSIVZIIKPY-MWLCHTKSSA-N 1 2 237.303 1.025 20 0 BDADLO COC[C@@H]1CN(c2cccc[nH+]2)C[C@H](C)O1 ZINC000276121987 132206393 /nfs/dbraw/zinc/20/63/93/132206393.db2.gz YXSDMXHNZQAUIZ-QWRGUYRKSA-N 1 2 222.288 1.322 20 0 BDADLO Cc1nc(N2CCc3cc[nH]c(=O)c3C2)cc[nH+]1 ZINC000276940966 132206911 /nfs/dbraw/zinc/20/69/11/132206911.db2.gz SHHFNUXAJLXIQX-UHFFFAOYSA-N 1 2 242.282 1.448 20 0 BDADLO CC1=CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000280870271 132211220 /nfs/dbraw/zinc/21/12/20/132211220.db2.gz ZXPXSDMQOHWXAD-UHFFFAOYSA-N 1 2 229.287 1.520 20 0 BDADLO CCc1nc(N2CCO[C@@H](C)[C@@H]2C)cc(C)[nH+]1 ZINC000287672920 132216102 /nfs/dbraw/zinc/21/61/02/132216102.db2.gz BZZLUFVURCUXSV-QWRGUYRKSA-N 1 2 235.331 1.961 20 0 BDADLO Cc1ccnc(N2CCn3c[nH+]cc3C2)n1 ZINC000290642467 132217338 /nfs/dbraw/zinc/21/73/38/132217338.db2.gz IBWKHMXRBSMWMO-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@H](C)S1(=O)=O ZINC000290642950 132217435 /nfs/dbraw/zinc/21/74/35/132217435.db2.gz FXUBAIZKLQLBHE-UWVGGRQHSA-N 1 2 240.328 1.093 20 0 BDADLO Cc1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc[nH+]1 ZINC000128804896 132233208 /nfs/dbraw/zinc/23/32/08/132233208.db2.gz YWVCAPZNIGYUJH-NWDGAFQWSA-N 1 2 249.314 1.169 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000334056125 132247013 /nfs/dbraw/zinc/24/70/13/132247013.db2.gz VJVHAJFIWVNYLC-ZJUUUORDSA-N 1 2 248.330 1.665 20 0 BDADLO C[C@@H]1[C@H](C)OCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000334056125 132247015 /nfs/dbraw/zinc/24/70/15/132247015.db2.gz VJVHAJFIWVNYLC-ZJUUUORDSA-N 1 2 248.330 1.665 20 0 BDADLO Cc1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc[nH+]1 ZINC000301623587 132255299 /nfs/dbraw/zinc/25/52/99/132255299.db2.gz YWVCAPZNIGYUJH-VXGBXAGGSA-N 1 2 249.314 1.169 20 0 BDADLO C[C@@H](O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301752336 132257313 /nfs/dbraw/zinc/25/73/13/132257313.db2.gz BKSNLIFULGMLSA-GHMZBOCLSA-N 1 2 206.289 1.679 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCO[C@H](C)[C@H]2C)[nH+]1 ZINC000360870903 132279252 /nfs/dbraw/zinc/27/92/52/132279252.db2.gz KDRNACAGZYGGME-RKDXNWHRSA-N 1 2 246.314 1.880 20 0 BDADLO O[C@H]1CCCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000361812122 132280396 /nfs/dbraw/zinc/28/03/96/132280396.db2.gz JLWMWSKWAHJCLZ-NSHDSACASA-N 1 2 244.298 1.228 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nccc(C)n1)CC2 ZINC000374720164 132287486 /nfs/dbraw/zinc/28/74/86/132287486.db2.gz RJCQPCLPRSLQHN-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000357198770 132335904 /nfs/dbraw/zinc/33/59/04/132335904.db2.gz AUGADOYQROMGBK-SKDRFNHKSA-N 1 2 247.342 1.870 20 0 BDADLO NC(=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000048563158 132355594 /nfs/dbraw/zinc/35/55/94/132355594.db2.gz VNYYWXZVJTYQNF-UHFFFAOYSA-N 1 2 219.288 1.173 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000219212882 133523295 /nfs/dbraw/zinc/52/32/95/133523295.db2.gz IMVLWGRKHRSILC-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000334210060 133587164 /nfs/dbraw/zinc/58/71/64/133587164.db2.gz GBUHXWQBUZVFNY-UHFFFAOYSA-N 1 2 216.244 1.285 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2cnn(C)c2)n1 ZINC000350304277 133948981 /nfs/dbraw/zinc/94/89/81/133948981.db2.gz ZOVMBVHMPJYXBQ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2cnn(C)c2)n1 ZINC000350304277 133948982 /nfs/dbraw/zinc/94/89/82/133948982.db2.gz ZOVMBVHMPJYXBQ-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1CCc2cccc(F)c2C1 ZINC000335938144 134013130 /nfs/dbraw/zinc/01/31/30/134013130.db2.gz ZLDWYGDDNVTTPZ-ZDUSSCGKSA-N 1 2 248.301 1.462 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1CCc2cccc(F)c2C1 ZINC000335938144 134013131 /nfs/dbraw/zinc/01/31/31/134013131.db2.gz ZLDWYGDDNVTTPZ-ZDUSSCGKSA-N 1 2 248.301 1.462 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)C2)cc1 ZINC000335944707 134019420 /nfs/dbraw/zinc/01/94/20/134019420.db2.gz BXPIWNHJQSCBTE-LRDDRELGSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)C2)cc1 ZINC000335944707 134019421 /nfs/dbraw/zinc/01/94/21/134019421.db2.gz BXPIWNHJQSCBTE-LRDDRELGSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)nc1 ZINC000335959175 134023868 /nfs/dbraw/zinc/02/38/68/134023868.db2.gz KETBTGIZQKKCLS-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)nc1 ZINC000335959175 134023869 /nfs/dbraw/zinc/02/38/69/134023869.db2.gz KETBTGIZQKKCLS-CYBMUJFWSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)nc1 ZINC000335994358 134041583 /nfs/dbraw/zinc/04/15/83/134041583.db2.gz YKNXEVGYDJACFD-UHFFFAOYSA-N 1 2 231.259 1.435 20 0 BDADLO Cc1nc(C2CC2)oc1C(=O)N1CC[NH+](C)CC1 ZINC000336009520 134050059 /nfs/dbraw/zinc/05/00/59/134050059.db2.gz JIAWJBAAMFPERW-UHFFFAOYSA-N 1 2 249.314 1.248 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CCCSCC2)no1 ZINC000336009293 134050256 /nfs/dbraw/zinc/05/02/56/134050256.db2.gz DMJISOSFGOHHDZ-MRVPVSSYSA-N 1 2 227.333 1.878 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CCCSCC2)no1 ZINC000336009293 134050257 /nfs/dbraw/zinc/05/02/57/134050257.db2.gz DMJISOSFGOHHDZ-MRVPVSSYSA-N 1 2 227.333 1.878 20 0 BDADLO Cc1ccc(NC(=O)N(C)C2CC(O)C2)c(C)[nH+]1 ZINC000336010287 134050995 /nfs/dbraw/zinc/05/09/95/134050995.db2.gz MPSKLMSBDVBFIQ-UHFFFAOYSA-N 1 2 249.314 1.685 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cn1 ZINC000336030797 134058423 /nfs/dbraw/zinc/05/84/23/134058423.db2.gz ZTKKXNABIKJMPV-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cn1 ZINC000336030797 134058424 /nfs/dbraw/zinc/05/84/24/134058424.db2.gz ZTKKXNABIKJMPV-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352115344 134071388 /nfs/dbraw/zinc/07/13/88/134071388.db2.gz KNCRBKFEVBPUGW-SFGNSQDASA-N 1 2 225.292 1.284 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352115344 134071389 /nfs/dbraw/zinc/07/13/89/134071389.db2.gz KNCRBKFEVBPUGW-SFGNSQDASA-N 1 2 225.292 1.284 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)CCS1 ZINC000336110885 134086293 /nfs/dbraw/zinc/08/62/93/134086293.db2.gz OSKBPVIUPNFSGD-SECBINFHSA-N 1 2 226.349 1.441 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)CCS1 ZINC000336110885 134086294 /nfs/dbraw/zinc/08/62/94/134086294.db2.gz OSKBPVIUPNFSGD-SECBINFHSA-N 1 2 226.349 1.441 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@@H]2C)[nH]1 ZINC000336112242 134087167 /nfs/dbraw/zinc/08/71/67/134087167.db2.gz XOLVKOSRGCXWJG-ZETCQYMHSA-N 1 2 212.322 1.050 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@@H]2C)[nH]1 ZINC000336112242 134087168 /nfs/dbraw/zinc/08/71/68/134087168.db2.gz XOLVKOSRGCXWJG-ZETCQYMHSA-N 1 2 212.322 1.050 20 0 BDADLO Cc1cccc(C[N@@H+]2CCC[C@@](F)(CO)C2)n1 ZINC000336147809 134102878 /nfs/dbraw/zinc/10/28/78/134102878.db2.gz JLTDKMGFTWYJKZ-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO Cc1cccc(C[N@H+]2CCC[C@@](F)(CO)C2)n1 ZINC000336147809 134102879 /nfs/dbraw/zinc/10/28/79/134102879.db2.gz JLTDKMGFTWYJKZ-ZDUSSCGKSA-N 1 2 238.306 1.686 20 0 BDADLO CC(=O)N[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000336176558 134116999 /nfs/dbraw/zinc/11/69/99/134116999.db2.gz FMABRVTYHNSFTK-SECBINFHSA-N 1 2 235.287 1.162 20 0 BDADLO C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CC=CCC1 ZINC000336207571 134132925 /nfs/dbraw/zinc/13/29/25/134132925.db2.gz AJUMJDREJYCJSM-GFCCVEGCSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CC=CCC1 ZINC000336207571 134132926 /nfs/dbraw/zinc/13/29/26/134132926.db2.gz AJUMJDREJYCJSM-GFCCVEGCSA-N 1 2 219.288 1.772 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@H]2CCNC2=O)c1F ZINC000336214200 134135604 /nfs/dbraw/zinc/13/56/04/134135604.db2.gz VCFWKOYAOUUSJU-NSHDSACASA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@H]2CCNC2=O)c1F ZINC000336214200 134135605 /nfs/dbraw/zinc/13/56/05/134135605.db2.gz VCFWKOYAOUUSJU-NSHDSACASA-N 1 2 236.290 1.454 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000336219259 134138330 /nfs/dbraw/zinc/13/83/30/134138330.db2.gz ARRJKRFNLXJADJ-OLZOCXBDSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cnccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000336219259 134138331 /nfs/dbraw/zinc/13/83/31/134138331.db2.gz ARRJKRFNLXJADJ-OLZOCXBDSA-N 1 2 236.290 1.974 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccco1)C(=O)OC ZINC000168258458 134160940 /nfs/dbraw/zinc/16/09/40/134160940.db2.gz YVTNOGWJDAYSKZ-SNVBAGLBSA-N 1 2 211.261 1.363 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000168868078 134247273 /nfs/dbraw/zinc/24/72/73/134247273.db2.gz BHTSTTSTUCXUSK-ZJUUUORDSA-N 1 2 240.347 1.201 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000168868078 134247274 /nfs/dbraw/zinc/24/72/74/134247274.db2.gz BHTSTTSTUCXUSK-ZJUUUORDSA-N 1 2 240.347 1.201 20 0 BDADLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000175197342 134286048 /nfs/dbraw/zinc/28/60/48/134286048.db2.gz KYBXMMGARVVBLS-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO OCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000177703176 134301423 /nfs/dbraw/zinc/30/14/23/134301423.db2.gz XAEUPAGUUAQKJH-LBPRGKRZSA-N 1 2 243.253 1.330 20 0 BDADLO OCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000177703176 134301424 /nfs/dbraw/zinc/30/14/24/134301424.db2.gz XAEUPAGUUAQKJH-LBPRGKRZSA-N 1 2 243.253 1.330 20 0 BDADLO CCCCc1noc(C[N@@H+]2CC[C@@](C)(O)C2)n1 ZINC000177988216 134302114 /nfs/dbraw/zinc/30/21/14/134302114.db2.gz PBVDENVUPDUSCM-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@H+]2CC[C@@](C)(O)C2)n1 ZINC000177988216 134302115 /nfs/dbraw/zinc/30/21/15/134302115.db2.gz PBVDENVUPDUSCM-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc[nH]c1 ZINC000178371503 134309118 /nfs/dbraw/zinc/30/91/18/134309118.db2.gz XUPQWKBIOSPIOW-UHFFFAOYSA-N 1 2 240.266 1.592 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000178797645 134311303 /nfs/dbraw/zinc/31/13/03/134311303.db2.gz SINANILFQBWIQA-MRVPVSSYSA-N 1 2 207.277 1.115 20 0 BDADLO CCc1nn(C)cc1N[C@H](C)c1[nH+]ccn1C ZINC000225874094 134356196 /nfs/dbraw/zinc/35/61/96/134356196.db2.gz UGHICWVNHVLZSZ-SECBINFHSA-N 1 2 233.319 1.889 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000184698210 134367972 /nfs/dbraw/zinc/36/79/72/134367972.db2.gz FIZHARYAHWWKLL-VHSXEESVSA-N 1 2 249.301 1.551 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)ccc1O ZINC000227027631 134373523 /nfs/dbraw/zinc/37/35/23/134373523.db2.gz CTIWOYATGRTEJC-UHFFFAOYSA-N 1 2 245.282 1.696 20 0 BDADLO CC(C)([NH2+]Cc1cncnc1)c1nccs1 ZINC000227219847 134376557 /nfs/dbraw/zinc/37/65/57/134376557.db2.gz COMFRLABDSRVLL-UHFFFAOYSA-N 1 2 234.328 1.958 20 0 BDADLO COC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185547636 134381635 /nfs/dbraw/zinc/38/16/35/134381635.db2.gz SKDVDFHTEXIBNH-KOLCDFICSA-N 1 2 235.283 1.314 20 0 BDADLO CC(C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC000079207748 134384610 /nfs/dbraw/zinc/38/46/10/134384610.db2.gz ORAHOHIYMXNWNQ-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO CO[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C1(C)C ZINC000227830024 134389909 /nfs/dbraw/zinc/38/99/09/134389909.db2.gz SLKZCNGEXJCDEY-UWVGGRQHSA-N 1 2 209.293 1.313 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000227771258 134393673 /nfs/dbraw/zinc/39/36/73/134393673.db2.gz BMYYLWHVJIGAHL-VHSXEESVSA-N 1 2 229.345 1.423 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185993475 134399463 /nfs/dbraw/zinc/39/94/63/134399463.db2.gz UZMFPSHVCFMROJ-GXFFZTMASA-N 1 2 235.331 1.751 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccon1 ZINC000151663270 134475281 /nfs/dbraw/zinc/47/52/81/134475281.db2.gz HOXQMQQIKDAVKG-UHFFFAOYSA-N 1 2 246.270 1.317 20 0 BDADLO C[C@@H]([NH2+]Cc1nccs1)c1ccnn1C ZINC000235204476 134590344 /nfs/dbraw/zinc/59/03/44/134590344.db2.gz PMYDSPQTBXNVQH-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CC(C)OCC[NH2+]Cc1csnn1 ZINC000134115836 134703745 /nfs/dbraw/zinc/70/37/45/134703745.db2.gz NNHODAHIOCNXJR-UHFFFAOYSA-N 1 2 201.295 1.053 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000060781068 134793958 /nfs/dbraw/zinc/79/39/58/134793958.db2.gz DUTSNYKIBHOKAL-UHFFFAOYSA-N 1 2 210.302 1.136 20 0 BDADLO O=C(Cc1ccccc1Cl)NCc1[nH]cc[nH+]1 ZINC000070990407 134928227 /nfs/dbraw/zinc/92/82/27/134928227.db2.gz GAVFRDDMMWAEKK-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccsc1 ZINC000070650837 135002416 /nfs/dbraw/zinc/00/24/16/135002416.db2.gz BHHPGMRQDOSMKJ-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1nccs1 ZINC000070733134 135012277 /nfs/dbraw/zinc/01/22/77/135012277.db2.gz CQROFNINJMDRFG-WDSKDSINSA-N 1 2 240.250 1.717 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)C(=O)OC ZINC000248708242 135019142 /nfs/dbraw/zinc/01/91/42/135019142.db2.gz BIHJLMPDGFXJED-IGQOVBAYSA-N 1 2 245.322 1.866 20 0 BDADLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000248849403 135023501 /nfs/dbraw/zinc/02/35/01/135023501.db2.gz NYWIVNOZUSFINU-LBPRGKRZSA-N 1 2 249.358 1.758 20 0 BDADLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000248849403 135023502 /nfs/dbraw/zinc/02/35/02/135023502.db2.gz NYWIVNOZUSFINU-LBPRGKRZSA-N 1 2 249.358 1.758 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CCCC(C)C)[C@H](C)O ZINC000249036857 135030932 /nfs/dbraw/zinc/03/09/32/135030932.db2.gz MNBGOULKWBTEIW-SDDRHHMPSA-N 1 2 245.363 1.713 20 0 BDADLO CCC[C@@H](C)C[N@@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249390666 135037700 /nfs/dbraw/zinc/03/77/00/135037700.db2.gz YIZPEOOOMKPPPL-NEPJUHHUSA-N 1 2 247.404 1.789 20 0 BDADLO CCC[C@@H](C)C[N@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249390666 135037702 /nfs/dbraw/zinc/03/77/02/135037702.db2.gz YIZPEOOOMKPPPL-NEPJUHHUSA-N 1 2 247.404 1.789 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000249293826 135042092 /nfs/dbraw/zinc/04/20/92/135042092.db2.gz AISSPXHGGPMKMG-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000249293826 135042094 /nfs/dbraw/zinc/04/20/94/135042094.db2.gz AISSPXHGGPMKMG-VXGBXAGGSA-N 1 2 242.363 1.258 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000250663050 135057300 /nfs/dbraw/zinc/05/73/00/135057300.db2.gz GNDZEVBPDPVXCX-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000250663050 135057303 /nfs/dbraw/zinc/05/73/03/135057303.db2.gz GNDZEVBPDPVXCX-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000086935378 135103241 /nfs/dbraw/zinc/10/32/41/135103241.db2.gz YPVLTKIBZWWETE-GMSGAONNSA-N 1 2 211.334 1.702 20 0 BDADLO Cc1cc(NC[C@@]2(C)CCCO2)nc[nH+]1 ZINC000087256081 135116878 /nfs/dbraw/zinc/11/68/78/135116878.db2.gz DFRZQUQPNUCYHV-LLVKDONJSA-N 1 2 207.277 1.766 20 0 BDADLO Cc1nn(C)c(C)c1CNc1cc(C)[nH+]cn1 ZINC000078528449 135129373 /nfs/dbraw/zinc/12/93/73/135129373.db2.gz YZWXNXVYPUBOEF-UHFFFAOYSA-N 1 2 231.303 1.747 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000265992622 135146473 /nfs/dbraw/zinc/14/64/73/135146473.db2.gz KCCIRWYIFJOWHN-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H]1C[N@H+]([C@@H](C)c2cccnc2)CCO1 ZINC000265992622 135146474 /nfs/dbraw/zinc/14/64/74/135146474.db2.gz KCCIRWYIFJOWHN-AAEUAGOBSA-N 1 2 236.315 1.490 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccsc1 ZINC000084081773 135182094 /nfs/dbraw/zinc/18/20/94/135182094.db2.gz QVNCRPAMCZVTGP-UHFFFAOYSA-N 1 2 207.258 1.401 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccsc1 ZINC000084081773 135182096 /nfs/dbraw/zinc/18/20/96/135182096.db2.gz QVNCRPAMCZVTGP-UHFFFAOYSA-N 1 2 207.258 1.401 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+]CC(F)(F)CN)C1(C)C ZINC000261598002 135236588 /nfs/dbraw/zinc/23/65/88/135236588.db2.gz ZHTJLDICDKZYLG-IUCAKERBSA-N 1 2 236.306 1.374 20 0 BDADLO CCc1cc(CC)nc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000342417278 135266867 /nfs/dbraw/zinc/26/68/67/135266867.db2.gz QGWDIPHPLWIEHC-UHFFFAOYSA-N 1 2 245.330 1.961 20 0 BDADLO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000342637448 135299512 /nfs/dbraw/zinc/29/95/12/135299512.db2.gz SWUGFPPQWYUITC-WCQYABFASA-N 1 2 235.331 1.894 20 0 BDADLO CC(C)[C@H]1C[N@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000342637448 135299514 /nfs/dbraw/zinc/29/95/14/135299514.db2.gz SWUGFPPQWYUITC-WCQYABFASA-N 1 2 235.331 1.894 20 0 BDADLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000342637445 135299810 /nfs/dbraw/zinc/29/98/10/135299810.db2.gz SWUGFPPQWYUITC-AAEUAGOBSA-N 1 2 235.331 1.894 20 0 BDADLO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)CCO1 ZINC000342637445 135299812 /nfs/dbraw/zinc/29/98/12/135299812.db2.gz SWUGFPPQWYUITC-AAEUAGOBSA-N 1 2 235.331 1.894 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@@H]2CCCO2)n1C ZINC000342611427 135303164 /nfs/dbraw/zinc/30/31/64/135303164.db2.gz XVNCQXCFIFZWKC-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@@H]2CCCO2)n1C ZINC000342611427 135303165 /nfs/dbraw/zinc/30/31/65/135303165.db2.gz XVNCQXCFIFZWKC-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CC[N@H+](CCO)Cc1ncc(COC)s1 ZINC000342685162 135304422 /nfs/dbraw/zinc/30/44/22/135304422.db2.gz WIXWTSUABKRFOZ-UHFFFAOYSA-N 1 2 230.333 1.104 20 0 BDADLO O=C(NCCC(F)(F)F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262691511 135314231 /nfs/dbraw/zinc/31/42/31/135314231.db2.gz AHPKMCSCJDPWCA-YFKPBYRVSA-N 1 2 246.179 1.052 20 0 BDADLO CCCC1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262738668 135316751 /nfs/dbraw/zinc/31/67/51/135316751.db2.gz CKQXQKSGUWKQLL-SECBINFHSA-N 1 2 246.301 1.680 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C)OC[C@H]2C)n1C ZINC000342781147 135317838 /nfs/dbraw/zinc/31/78/38/135317838.db2.gz NGILYKXETUBZPM-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1Cc1[nH+]cc(C)n1C ZINC000342796847 135320926 /nfs/dbraw/zinc/32/09/26/135320926.db2.gz BOMSVTOMZIVOEF-RYUDHWBXSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262901600 135323437 /nfs/dbraw/zinc/32/34/37/135323437.db2.gz DQKZIRSPLYKYIU-BBBLOLIVSA-N 1 2 246.301 1.679 20 0 BDADLO O=C(Nc1ccc(F)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262921507 135324054 /nfs/dbraw/zinc/32/40/54/135324054.db2.gz GZCDYHBZXXDCBL-VIFPVBQESA-N 1 2 244.216 1.761 20 0 BDADLO CCN(CC(C)C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262963203 135324774 /nfs/dbraw/zinc/32/47/74/135324774.db2.gz KXTQLZPNPINFAW-SECBINFHSA-N 1 2 234.290 1.488 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262982914 135325473 /nfs/dbraw/zinc/32/54/73/135325473.db2.gz MVMFXRYUKNVQMH-VGMNWLOBSA-N 1 2 232.274 1.288 20 0 BDADLO CC[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262980154 135325671 /nfs/dbraw/zinc/32/56/71/135325671.db2.gz MREIIFOFXUNYIT-UWVGGRQHSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2cccnc2)n1C ZINC000342771838 135327082 /nfs/dbraw/zinc/32/70/82/135327082.db2.gz BITZIKBQZRVKIK-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H]3CCC[C@H]32)n1C ZINC000342776937 135327791 /nfs/dbraw/zinc/32/77/91/135327791.db2.gz JDUBHCXTHASTQD-NEPJUHHUSA-N 1 2 235.331 1.482 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263070122 135330266 /nfs/dbraw/zinc/33/02/66/135330266.db2.gz WLHRONMTEDSBST-DTWKUNHWSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263070124 135330474 /nfs/dbraw/zinc/33/04/74/135330474.db2.gz WLHRONMTEDSBST-IUCAKERBSA-N 1 2 232.274 1.242 20 0 BDADLO O=C(Nc1cccc(F)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263069042 135330868 /nfs/dbraw/zinc/33/08/68/135330868.db2.gz WFTPAAXLMKDOLA-VIFPVBQESA-N 1 2 244.216 1.761 20 0 BDADLO CNC(=O)CN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000334300964 135346462 /nfs/dbraw/zinc/34/64/62/135346462.db2.gz WBOZTIVDXWKRNT-UHFFFAOYSA-N 1 2 247.273 1.556 20 0 BDADLO CCc1nocc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334301522 135346641 /nfs/dbraw/zinc/34/66/41/135346641.db2.gz XOQIVHAJTNRTNB-NSHDSACASA-N 1 2 249.314 1.044 20 0 BDADLO CCc1nocc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334301522 135346643 /nfs/dbraw/zinc/34/66/43/135346643.db2.gz XOQIVHAJTNRTNB-NSHDSACASA-N 1 2 249.314 1.044 20 0 BDADLO CCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000334305499 135348247 /nfs/dbraw/zinc/34/82/47/135348247.db2.gz FJEKFSQJWRSAFT-JTQLQIEISA-N 1 2 221.304 1.536 20 0 BDADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000334341951 135364453 /nfs/dbraw/zinc/36/44/53/135364453.db2.gz PBZQBDRMUQKRMO-IUCAKERBSA-N 1 2 247.298 1.147 20 0 BDADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000334341951 135364454 /nfs/dbraw/zinc/36/44/54/135364454.db2.gz PBZQBDRMUQKRMO-IUCAKERBSA-N 1 2 247.298 1.147 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)[C@H]1C ZINC000334373415 135376235 /nfs/dbraw/zinc/37/62/35/135376235.db2.gz ZYGAIDHTBOFZLC-BDAKNGLRSA-N 1 2 221.304 1.554 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccc(O)cc1 ZINC000080526494 135379035 /nfs/dbraw/zinc/37/90/35/135379035.db2.gz MCUNSELMZDPUPY-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@H](C)C2)s1 ZINC000334382768 135381051 /nfs/dbraw/zinc/38/10/51/135381051.db2.gz KRPFVTUHOPKLLR-SSDOTTSWSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@H](C)C2)s1 ZINC000334382768 135381053 /nfs/dbraw/zinc/38/10/53/135381053.db2.gz KRPFVTUHOPKLLR-SSDOTTSWSA-N 1 2 229.374 1.784 20 0 BDADLO CC(C)n1cc[nH+]c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000334390751 135385267 /nfs/dbraw/zinc/38/52/67/135385267.db2.gz UGUBHRJQXFWFHE-TXEJJXNPSA-N 1 2 235.331 1.827 20 0 BDADLO Cc1ncsc1C[N@@H+](C)[C@H]1CCCNC1=O ZINC000334395406 135387544 /nfs/dbraw/zinc/38/75/44/135387544.db2.gz BJAHWGBZCZCEDK-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncsc1C[N@H+](C)[C@H]1CCCNC1=O ZINC000334395406 135387545 /nfs/dbraw/zinc/38/75/45/135387545.db2.gz BJAHWGBZCZCEDK-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO O=S(=O)(CCn1cc[nH+]c1)c1ccccc1 ZINC000073172217 135389841 /nfs/dbraw/zinc/38/98/41/135389841.db2.gz GVEVRUIJVTXSSB-UHFFFAOYSA-N 1 2 236.296 1.357 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](Cc1cnnn1C)C2 ZINC000334404362 135392929 /nfs/dbraw/zinc/39/29/29/135392929.db2.gz GVJQQWHXIJDZQY-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](Cc1cnnn1C)C2 ZINC000334404362 135392931 /nfs/dbraw/zinc/39/29/31/135392931.db2.gz GVJQQWHXIJDZQY-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CCC1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000334406414 135394052 /nfs/dbraw/zinc/39/40/52/135394052.db2.gz HVPAFLFUBZMCLP-LLVKDONJSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000345262158 135894097 /nfs/dbraw/zinc/89/40/97/135894097.db2.gz GYLZSMMOFWCLSI-GRYCIOLGSA-N 1 2 235.331 1.824 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)NC2CC2)cn1 ZINC000347649150 136000441 /nfs/dbraw/zinc/00/04/41/136000441.db2.gz IAGCRAQCVHDTKF-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)NC2CC2)cn1 ZINC000347649150 136000442 /nfs/dbraw/zinc/00/04/42/136000442.db2.gz IAGCRAQCVHDTKF-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000335283628 136001352 /nfs/dbraw/zinc/00/13/52/136001352.db2.gz BGOPILFCEGXRJL-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CCOC(=O)C[N@H+](CCCC(=O)CC)C1CC1 ZINC000347739858 136004572 /nfs/dbraw/zinc/00/45/72/136004572.db2.gz UOUXGUPDMHLHML-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CCOC(=O)C[N@@H+](CCCC(=O)CC)C1CC1 ZINC000347739858 136004573 /nfs/dbraw/zinc/00/45/73/136004573.db2.gz UOUXGUPDMHLHML-UHFFFAOYSA-N 1 2 241.331 1.773 20 0 BDADLO CCc1ccc(C[N@@H+]2CCn3cnnc3C2)cn1 ZINC000347794173 136010374 /nfs/dbraw/zinc/01/03/74/136010374.db2.gz XXEPCOXVXNIFHE-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCc1ccc(C[N@H+]2CCn3cnnc3C2)cn1 ZINC000347794173 136010375 /nfs/dbraw/zinc/01/03/75/136010375.db2.gz XXEPCOXVXNIFHE-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCC[C@@](C)(O)C2)nn1 ZINC000347846382 136012445 /nfs/dbraw/zinc/01/24/45/136012445.db2.gz DVXAIOXRXJGQKU-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCC[C@@](C)(O)C2)nn1 ZINC000347846382 136012446 /nfs/dbraw/zinc/01/24/46/136012446.db2.gz DVXAIOXRXJGQKU-GFCCVEGCSA-N 1 2 238.335 1.206 20 0 BDADLO CC[C@H](C)[C@@H](NCCn1cc[nH+]c1)C(=O)OC ZINC000348009074 136021131 /nfs/dbraw/zinc/02/11/31/136021131.db2.gz RFSPGSYEOHPXOW-WDEREUQCSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335314956 136023711 /nfs/dbraw/zinc/02/37/11/136023711.db2.gz JQSKMCOOHWRWAK-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO CC1(C)CC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000335311674 136030073 /nfs/dbraw/zinc/03/00/73/136030073.db2.gz BADKFHIVTYHCQC-VIFPVBQESA-N 1 2 221.304 1.852 20 0 BDADLO CC1(C)CC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000335311674 136030074 /nfs/dbraw/zinc/03/00/74/136030074.db2.gz BADKFHIVTYHCQC-VIFPVBQESA-N 1 2 221.304 1.852 20 0 BDADLO FC(F)[C@@H]1C[C@H]1[NH2+]Cc1csnn1 ZINC000348103562 136036691 /nfs/dbraw/zinc/03/66/91/136036691.db2.gz FXDQJBSOBOSRKY-PHDIDXHHSA-N 1 2 205.233 1.281 20 0 BDADLO CCOCC[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000348114423 136037755 /nfs/dbraw/zinc/03/77/55/136037755.db2.gz LEAQYOBOTKXOEN-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO CCOCC[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000348114423 136037756 /nfs/dbraw/zinc/03/77/56/136037756.db2.gz LEAQYOBOTKXOEN-UHFFFAOYSA-N 1 2 226.324 1.327 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)[nH]1 ZINC000335337555 136044648 /nfs/dbraw/zinc/04/46/48/136044648.db2.gz WGTUARQNVMSADE-ZETCQYMHSA-N 1 2 230.262 1.590 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)[nH]1 ZINC000335337555 136044649 /nfs/dbraw/zinc/04/46/49/136044649.db2.gz WGTUARQNVMSADE-ZETCQYMHSA-N 1 2 230.262 1.590 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cn1 ZINC000348223323 136047773 /nfs/dbraw/zinc/04/77/73/136047773.db2.gz GDBMHUVABLKSFJ-FZMZJTMJSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cn1 ZINC000348223323 136047774 /nfs/dbraw/zinc/04/77/74/136047774.db2.gz GDBMHUVABLKSFJ-FZMZJTMJSA-N 1 2 247.342 1.784 20 0 BDADLO CCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000335320307 136049167 /nfs/dbraw/zinc/04/91/67/136049167.db2.gz VWXAKWHTJGLFHU-GFCCVEGCSA-N 1 2 236.290 1.709 20 0 BDADLO O=C(NC1CCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335322249 136050159 /nfs/dbraw/zinc/05/01/59/136050159.db2.gz KNNZNKSASXIMPZ-JTQLQIEISA-N 1 2 248.330 1.851 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]cn2)[C@H]1[C@@H]1CCCO1 ZINC000335323976 136050978 /nfs/dbraw/zinc/05/09/78/136050978.db2.gz UOHWGKKRHLEAEI-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@H]1[C@@H]1CCCO1 ZINC000335323976 136050979 /nfs/dbraw/zinc/05/09/79/136050979.db2.gz UOHWGKKRHLEAEI-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc[nH]2)[C@H]1[C@@H]1CCCO1 ZINC000335323976 136050980 /nfs/dbraw/zinc/05/09/80/136050980.db2.gz UOHWGKKRHLEAEI-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@H]1[C@@H]1CCCO1 ZINC000335323976 136050981 /nfs/dbraw/zinc/05/09/81/136050981.db2.gz UOHWGKKRHLEAEI-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO CCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000335325235 136051508 /nfs/dbraw/zinc/05/15/08/136051508.db2.gz YQDBYJHBYBZYNQ-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO CCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000335325235 136051509 /nfs/dbraw/zinc/05/15/09/136051509.db2.gz YQDBYJHBYBZYNQ-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000335328505 136053014 /nfs/dbraw/zinc/05/30/14/136053014.db2.gz IERSFDZBRZVUPL-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000335328505 136053015 /nfs/dbraw/zinc/05/30/15/136053015.db2.gz IERSFDZBRZVUPL-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000335328505 136053016 /nfs/dbraw/zinc/05/30/16/136053016.db2.gz IERSFDZBRZVUPL-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000335328505 136053017 /nfs/dbraw/zinc/05/30/17/136053017.db2.gz IERSFDZBRZVUPL-STQMWFEESA-N 1 2 235.331 1.862 20 0 BDADLO COC(=O)C[N@H+](C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000348236759 136061097 /nfs/dbraw/zinc/06/10/97/136061097.db2.gz XRVLSVDTVVNEFJ-KOLCDFICSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000348236759 136061098 /nfs/dbraw/zinc/06/10/98/136061098.db2.gz XRVLSVDTVVNEFJ-KOLCDFICSA-N 1 2 227.304 1.191 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cscn1 ZINC000348238079 136061406 /nfs/dbraw/zinc/06/14/06/136061406.db2.gz AYCUWCJWZPGKRT-UHFFFAOYSA-N 1 2 249.295 1.477 20 0 BDADLO CCn1ccc(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000335346634 136066608 /nfs/dbraw/zinc/06/66/08/136066608.db2.gz SWGJDQSORBPFHV-UHFFFAOYSA-N 1 2 230.271 1.281 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cncs1 ZINC000348317740 136068667 /nfs/dbraw/zinc/06/86/67/136068667.db2.gz FGMATOGNALKRHY-UHFFFAOYSA-N 1 2 249.295 1.477 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)nn1C ZINC000348321612 136068989 /nfs/dbraw/zinc/06/89/89/136068989.db2.gz MZYYLEDXXNUMKP-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1oncc1C[N@@H+](C)Cc1ccnn1C ZINC000348362556 136072367 /nfs/dbraw/zinc/07/23/67/136072367.db2.gz BZZFQRWSOABDDF-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1oncc1C[N@H+](C)Cc1ccnn1C ZINC000348362556 136072368 /nfs/dbraw/zinc/07/23/68/136072368.db2.gz BZZFQRWSOABDDF-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000335360313 136080618 /nfs/dbraw/zinc/08/06/18/136080618.db2.gz WBLCCAGJNYJXPG-LBPRGKRZSA-N 1 2 240.326 1.930 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCC[C@](C)(F)C1 ZINC000335360313 136080619 /nfs/dbraw/zinc/08/06/19/136080619.db2.gz WBLCCAGJNYJXPG-LBPRGKRZSA-N 1 2 240.326 1.930 20 0 BDADLO CCn1cc[nH+]c1CN1CCCc2n[nH]cc21 ZINC000335372173 136084108 /nfs/dbraw/zinc/08/41/08/136084108.db2.gz VMAJSVHKBVUFBE-UHFFFAOYSA-N 1 2 231.303 1.579 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)CCCO1 ZINC000335561238 136106102 /nfs/dbraw/zinc/10/61/02/136106102.db2.gz XTZAXYFFDXITRB-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)CCCO1 ZINC000335561238 136106103 /nfs/dbraw/zinc/10/61/03/136106103.db2.gz XTZAXYFFDXITRB-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051669794 322851323 /nfs/dbraw/zinc/85/13/23/322851323.db2.gz XWOQVHFAJDHJQQ-NSHDSACASA-N 1 2 221.300 1.689 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cccc(O)c2)n1C ZINC000181515654 397810452 /nfs/dbraw/zinc/81/04/52/397810452.db2.gz JYBWSMKAOPEDGW-SECBINFHSA-N 1 2 246.314 1.680 20 0 BDADLO COC(=O)N1CC([NH2+][C@@H](C)c2nccs2)C1 ZINC000181467471 397807114 /nfs/dbraw/zinc/80/71/14/397807114.db2.gz BBXGJJOLAGGLQN-ZETCQYMHSA-N 1 2 241.316 1.244 20 0 BDADLO CC[C@@H](C)C[NH2+][C@@](C)(COC)C(=O)OC ZINC000182605546 397826354 /nfs/dbraw/zinc/82/63/54/397826354.db2.gz LLNPHRXDWFRFAZ-KOLCDFICSA-N 1 2 217.309 1.200 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC(=O)NC ZINC000190774631 397887288 /nfs/dbraw/zinc/88/72/88/397887288.db2.gz RGJSCKAZSSLNQE-UHFFFAOYSA-N 1 2 208.261 1.077 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOCC2CC2)n1 ZINC000309362117 397858256 /nfs/dbraw/zinc/85/82/56/397858256.db2.gz AOVYVSVWRFIJTG-MRVPVSSYSA-N 1 2 225.292 1.455 20 0 BDADLO CCC[C@](C)([NH2+]CCOCC)C(=O)OC ZINC000118005592 397873322 /nfs/dbraw/zinc/87/33/22/397873322.db2.gz QWRRVZGIXFLEIE-NSHDSACASA-N 1 2 217.309 1.344 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccsc1 ZINC000493266385 397928411 /nfs/dbraw/zinc/92/84/11/397928411.db2.gz WNMHHNBXQPGEBE-IHWYPQMZSA-N 1 2 247.323 1.811 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000649538509 397929064 /nfs/dbraw/zinc/92/90/64/397929064.db2.gz PJMDPKDKURALMA-JTQLQIEISA-N 1 2 237.372 1.767 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649538509 397929066 /nfs/dbraw/zinc/92/90/66/397929066.db2.gz PJMDPKDKURALMA-JTQLQIEISA-N 1 2 237.372 1.767 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000357767130 397941204 /nfs/dbraw/zinc/94/12/04/397941204.db2.gz KIQWPWOAGLKGNB-DTWKUNHWSA-N 1 2 235.291 1.314 20 0 BDADLO c1cn(Cc2cc3n(n2)CCCC3)c[nH+]1 ZINC000649553290 397947634 /nfs/dbraw/zinc/94/76/34/397947634.db2.gz KPNYVXPQAUHDGX-UHFFFAOYSA-N 1 2 202.261 1.464 20 0 BDADLO Cc1nnc(C[N@H+](C)CCn2cccn2)s1 ZINC000271433667 397967831 /nfs/dbraw/zinc/96/78/31/397967831.db2.gz OPWADTOZMGVXJW-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCn2cccn2)s1 ZINC000271433667 397967833 /nfs/dbraw/zinc/96/78/33/397967833.db2.gz OPWADTOZMGVXJW-UHFFFAOYSA-N 1 2 237.332 1.175 20 0 BDADLO COc1ccc(F)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359683754 397956005 /nfs/dbraw/zinc/95/60/05/397956005.db2.gz QJLSBSVWMPJKGC-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO COc1ccc(F)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359683754 397956010 /nfs/dbraw/zinc/95/60/10/397956010.db2.gz QJLSBSVWMPJKGC-UHFFFAOYSA-N 1 2 249.245 1.487 20 0 BDADLO C[C@@H](O)C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000111287544 397906554 /nfs/dbraw/zinc/90/65/54/397906554.db2.gz IMAVUBORZYCVIZ-SNVBAGLBSA-N 1 2 243.347 1.421 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334174554 397912022 /nfs/dbraw/zinc/91/20/22/397912022.db2.gz BARISSFCZPNGAW-LLVKDONJSA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000334174554 397912028 /nfs/dbraw/zinc/91/20/28/397912028.db2.gz BARISSFCZPNGAW-LLVKDONJSA-N 1 2 216.300 1.335 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOCC2(C)C)n1 ZINC000271135252 397963409 /nfs/dbraw/zinc/96/34/09/397963409.db2.gz MIIDKDKPZDDUPQ-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccc(C[N@H+]2CCOCC2(C)C)n1 ZINC000271135252 397963413 /nfs/dbraw/zinc/96/34/13/397963413.db2.gz MIIDKDKPZDDUPQ-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccoc1C ZINC000414392620 397925596 /nfs/dbraw/zinc/92/55/96/397925596.db2.gz BSOLTFDDAJQLMG-GFCCVEGCSA-N 1 2 236.315 1.689 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccoc1C ZINC000414392620 397925598 /nfs/dbraw/zinc/92/55/98/397925598.db2.gz BSOLTFDDAJQLMG-GFCCVEGCSA-N 1 2 236.315 1.689 20 0 BDADLO Cc1[nH]c(C(=O)NCCC[C@@H]2CCOC2)c[nH+]1 ZINC000456745935 397994360 /nfs/dbraw/zinc/99/43/60/397994360.db2.gz NHWCSXVDQHOQSE-SNVBAGLBSA-N 1 2 237.303 1.265 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1O ZINC000166364448 398003011 /nfs/dbraw/zinc/00/30/11/398003011.db2.gz FWYWCYMNIXDOQE-UHFFFAOYSA-N 1 2 245.282 1.396 20 0 BDADLO Cn1nccc1CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353179955 398006041 /nfs/dbraw/zinc/00/60/41/398006041.db2.gz JNXZIPOVSGVXAJ-SNVBAGLBSA-N 1 2 229.274 1.692 20 0 BDADLO Cn1nccc1CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353179955 398006043 /nfs/dbraw/zinc/00/60/43/398006043.db2.gz JNXZIPOVSGVXAJ-SNVBAGLBSA-N 1 2 229.274 1.692 20 0 BDADLO COCc1cc[nH+]c(NCc2cc(C)n(C)n2)c1 ZINC000650243443 398006514 /nfs/dbraw/zinc/00/65/14/398006514.db2.gz YVHCQUKOSHVVBH-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)nn1C ZINC000274662986 398012126 /nfs/dbraw/zinc/01/21/26/398012126.db2.gz HCINOUFLDBNSBD-UHFFFAOYSA-N 1 2 246.270 1.384 20 0 BDADLO C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000649646612 398020211 /nfs/dbraw/zinc/02/02/11/398020211.db2.gz KATKAQPQCQYZBR-MNOVXSKESA-N 1 2 235.331 1.997 20 0 BDADLO C[C@@H]1C[C@H](CNc2cc(CO)cc[nH+]2)[C@@H](C)O1 ZINC000641634382 398021408 /nfs/dbraw/zinc/02/14/08/398021408.db2.gz MPPXMXQSCAMLSN-CKYFFXLPSA-N 1 2 236.315 1.799 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnns2)[C@@H](CC)CO1 ZINC000649718840 398060129 /nfs/dbraw/zinc/06/01/29/398060129.db2.gz HTHLNEQYWRWREZ-UWVGGRQHSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnns2)[C@@H](CC)CO1 ZINC000649718840 398060131 /nfs/dbraw/zinc/06/01/31/398060131.db2.gz HTHLNEQYWRWREZ-UWVGGRQHSA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649729889 398067910 /nfs/dbraw/zinc/06/79/10/398067910.db2.gz HMYTXVGFBZKVMB-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649729889 398067913 /nfs/dbraw/zinc/06/79/13/398067913.db2.gz HMYTXVGFBZKVMB-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@H](C)CO1 ZINC000649732504 398072570 /nfs/dbraw/zinc/07/25/70/398072570.db2.gz YZDCXXFIFVILTE-ZYHUDNBSSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@H](C)CO1 ZINC000649732504 398072571 /nfs/dbraw/zinc/07/25/71/398072571.db2.gz YZDCXXFIFVILTE-ZYHUDNBSSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000649732382 398072681 /nfs/dbraw/zinc/07/26/81/398072681.db2.gz WLAATXOEBCCLLI-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC2CC2)[C@@H](C)CO1 ZINC000649732382 398072682 /nfs/dbraw/zinc/07/26/82/398072682.db2.gz WLAATXOEBCCLLI-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)nc2)[C@H](C)CO1 ZINC000649734978 398073730 /nfs/dbraw/zinc/07/37/30/398073730.db2.gz DHVLUAYZZOAVRF-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)nc2)[C@H](C)CO1 ZINC000649734978 398073735 /nfs/dbraw/zinc/07/37/35/398073735.db2.gz DHVLUAYZZOAVRF-MFKMUULPSA-N 1 2 235.331 1.784 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000283487077 398074167 /nfs/dbraw/zinc/07/41/67/398074167.db2.gz QIDUYXMXGQWWPK-AOOOYVTPSA-N 1 2 233.315 1.457 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H]1CCCO1 ZINC000568782097 398074502 /nfs/dbraw/zinc/07/45/02/398074502.db2.gz IJRRDPNLEDCVCY-NSHDSACASA-N 1 2 221.304 1.709 20 0 BDADLO FC1(F)CC12CC[NH+](Cc1cnn[nH]1)CC2 ZINC000649773514 398096364 /nfs/dbraw/zinc/09/63/64/398096364.db2.gz WCLQPKBGAQGJIZ-UHFFFAOYSA-N 1 2 228.246 1.426 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@H]2CCCOC2)o1 ZINC000649759049 398089318 /nfs/dbraw/zinc/08/93/18/398089318.db2.gz DCMHIJLBPHTOOM-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@H]2CCCOC2)o1 ZINC000649759049 398089322 /nfs/dbraw/zinc/08/93/22/398089322.db2.gz DCMHIJLBPHTOOM-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1csc(C)n1 ZINC000649760850 398090401 /nfs/dbraw/zinc/09/04/01/398090401.db2.gz GOADJKKYXBDQSN-GHMZBOCLSA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1csc(C)n1 ZINC000649760850 398090406 /nfs/dbraw/zinc/09/04/06/398090406.db2.gz GOADJKKYXBDQSN-GHMZBOCLSA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000293655795 398116700 /nfs/dbraw/zinc/11/67/00/398116700.db2.gz NLPXCCTXYXOHKH-MRVPVSSYSA-N 1 2 243.253 1.891 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000293655795 398116704 /nfs/dbraw/zinc/11/67/04/398116704.db2.gz NLPXCCTXYXOHKH-MRVPVSSYSA-N 1 2 243.253 1.891 20 0 BDADLO OCC[C@H]1CCC[N@H+](CC(F)F)CC1 ZINC000643256688 398118255 /nfs/dbraw/zinc/11/82/55/398118255.db2.gz BCMJBGCZBNBQOJ-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO OCC[C@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000643256688 398118259 /nfs/dbraw/zinc/11/82/59/398118259.db2.gz BCMJBGCZBNBQOJ-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccnc1OC ZINC000193350227 398110472 /nfs/dbraw/zinc/11/04/72/398110472.db2.gz QWIRZHKIAKTQGW-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccnc1OC ZINC000193350227 398110476 /nfs/dbraw/zinc/11/04/76/398110476.db2.gz QWIRZHKIAKTQGW-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1noc(C)c1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000069537413 398113437 /nfs/dbraw/zinc/11/34/37/398113437.db2.gz VUIYZPXVOLVVNZ-RKDXNWHRSA-N 1 2 224.304 1.901 20 0 BDADLO Cc1noc(C[N@H+]2CCC(F)(F)C[C@H]2C)n1 ZINC000528769447 398126574 /nfs/dbraw/zinc/12/65/74/398126574.db2.gz QINZNYUQSDMBFF-SSDOTTSWSA-N 1 2 231.246 1.998 20 0 BDADLO Cc1noc(C[N@@H+]2CCC(F)(F)C[C@H]2C)n1 ZINC000528769447 398126578 /nfs/dbraw/zinc/12/65/78/398126578.db2.gz QINZNYUQSDMBFF-SSDOTTSWSA-N 1 2 231.246 1.998 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000571916193 398127212 /nfs/dbraw/zinc/12/72/12/398127212.db2.gz VMRHKOYMSHKFGH-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000571916193 398127217 /nfs/dbraw/zinc/12/72/17/398127217.db2.gz VMRHKOYMSHKFGH-LLVKDONJSA-N 1 2 246.339 1.923 20 0 BDADLO O=C(NCCC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649212675 398130469 /nfs/dbraw/zinc/13/04/69/398130469.db2.gz MGFUYLCSWSZRQQ-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)OCC23CCC3)cn1 ZINC000649822026 398123211 /nfs/dbraw/zinc/12/32/11/398123211.db2.gz XBFBATYBQQZNAD-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cn1 ZINC000649822026 398123215 /nfs/dbraw/zinc/12/32/15/398123215.db2.gz XBFBATYBQQZNAD-LLVKDONJSA-N 1 2 247.342 1.928 20 0 BDADLO CC[N@H+](CCCO)Cc1c(F)ccc(O)c1F ZINC000295521339 398134307 /nfs/dbraw/zinc/13/43/07/398134307.db2.gz ZZVSYNMGZMDCJF-UHFFFAOYSA-N 1 2 245.269 1.875 20 0 BDADLO CC[N@@H+](CCCO)Cc1c(F)ccc(O)c1F ZINC000295521339 398134312 /nfs/dbraw/zinc/13/43/12/398134312.db2.gz ZZVSYNMGZMDCJF-UHFFFAOYSA-N 1 2 245.269 1.875 20 0 BDADLO COc1cc[nH+]cc1COCc1n[nH]cc1C ZINC000650345331 398135047 /nfs/dbraw/zinc/13/50/47/398135047.db2.gz BEKNOCKJANZHIU-UHFFFAOYSA-N 1 2 233.271 1.839 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000250659108 322870377 /nfs/dbraw/zinc/87/03/77/322870377.db2.gz DEPKOJPDAZZQHM-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO COCCC[NH+]1CCN(CC(C)C)CC1 ZINC000051124191 174230734 /nfs/dbraw/zinc/23/07/34/174230734.db2.gz MEMVBJWQTKKTBT-UHFFFAOYSA-N 1 2 214.353 1.297 20 0 BDADLO O=C(NC1CC=CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119551787 487557283 /nfs/dbraw/zinc/55/72/83/487557283.db2.gz VLZNRYVWMIRQSV-SNVBAGLBSA-N 1 2 231.299 1.280 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC3(CC3)C2)[nH+]1 ZINC000334792613 487558509 /nfs/dbraw/zinc/55/85/09/487558509.db2.gz HEKVTZAFSIXBDB-UHFFFAOYSA-N 1 2 214.272 1.867 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)C[C@@H](O)C1CC1 ZINC000674314707 487559473 /nfs/dbraw/zinc/55/94/73/487559473.db2.gz ODJDQNWEJDIZMK-SNVBAGLBSA-N 1 2 237.303 1.150 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)C[C@@H](O)C1CC1 ZINC000674314707 487559477 /nfs/dbraw/zinc/55/94/77/487559477.db2.gz ODJDQNWEJDIZMK-SNVBAGLBSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCn1cccc1 ZINC000674326684 487560792 /nfs/dbraw/zinc/56/07/92/487560792.db2.gz RIENVWJEDDYUBC-UHFFFAOYSA-N 1 2 232.287 1.226 20 0 BDADLO CC(C)OC(=O)CC[N@H+](C)Cc1nccs1 ZINC000175083766 167154724 /nfs/dbraw/zinc/15/47/24/167154724.db2.gz VELBCOJNFUHWAM-UHFFFAOYSA-N 1 2 242.344 1.917 20 0 BDADLO CC(C)OC(=O)CC[N@@H+](C)Cc1nccs1 ZINC000175083766 167154727 /nfs/dbraw/zinc/15/47/27/167154727.db2.gz VELBCOJNFUHWAM-UHFFFAOYSA-N 1 2 242.344 1.917 20 0 BDADLO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC(n2cc[nH+]c2)C1 ZINC000530669452 322889766 /nfs/dbraw/zinc/88/97/66/322889766.db2.gz MNMYMGOTVXCASS-GDNZZTSVSA-N 1 2 231.299 1.313 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(C)o2)nn1 ZINC000404424434 487568448 /nfs/dbraw/zinc/56/84/48/487568448.db2.gz XBSNGSKATBMAPU-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC000674413425 487571988 /nfs/dbraw/zinc/57/19/88/487571988.db2.gz AYJZCFRKUPRKFR-RYUDHWBXSA-N 1 2 235.331 1.778 20 0 BDADLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(O)cc1 ZINC000669718535 487573575 /nfs/dbraw/zinc/57/35/75/487573575.db2.gz DBJSTWWQSILZDQ-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(O)cc1 ZINC000669718535 487573580 /nfs/dbraw/zinc/57/35/80/487573580.db2.gz DBJSTWWQSILZDQ-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000334873987 487576249 /nfs/dbraw/zinc/57/62/49/487576249.db2.gz MHYPYXUJVHZSEF-ZJUUUORDSA-N 1 2 245.273 1.356 20 0 BDADLO CCN(CC(F)F)C(=O)CCCn1cc[nH+]c1 ZINC000680402486 487586612 /nfs/dbraw/zinc/58/66/12/487586612.db2.gz VMBKHGHHTIJLSP-UHFFFAOYSA-N 1 2 245.273 1.777 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667493979 487590497 /nfs/dbraw/zinc/59/04/97/487590497.db2.gz JRHCRWIZLFCUOV-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667493979 487590505 /nfs/dbraw/zinc/59/05/05/487590505.db2.gz JRHCRWIZLFCUOV-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1nccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000530280220 487594049 /nfs/dbraw/zinc/59/40/49/487594049.db2.gz BQYQJWJQWGAEQF-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO CCCn1nccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000530280220 487594055 /nfs/dbraw/zinc/59/40/55/487594055.db2.gz BQYQJWJQWGAEQF-UHFFFAOYSA-N 1 2 247.302 1.588 20 0 BDADLO CC1(C)COC[C@H]1[NH2+]Cc1csnn1 ZINC000306340857 487608191 /nfs/dbraw/zinc/60/81/91/487608191.db2.gz ZSYTZDZSLIZHFB-MRVPVSSYSA-N 1 2 213.306 1.053 20 0 BDADLO Cc1cc(NCc2n[nH]c(=O)[nH]2)nc(C2CC2)[nH+]1 ZINC000674714004 487608482 /nfs/dbraw/zinc/60/84/82/487608482.db2.gz KQJTWNYSMNEFIS-UHFFFAOYSA-N 1 2 246.274 1.098 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC2(O)CCC2)s1 ZINC000662255405 409550705 /nfs/dbraw/zinc/55/07/05/409550705.db2.gz DFBUXEFAFIRJRW-UHFFFAOYSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC2(O)CCC2)s1 ZINC000662255405 409550712 /nfs/dbraw/zinc/55/07/12/409550712.db2.gz DFBUXEFAFIRJRW-UHFFFAOYSA-N 1 2 241.360 1.583 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC=CC1 ZINC000655227257 409642022 /nfs/dbraw/zinc/64/20/22/409642022.db2.gz HUZJQLJUKWAPDA-SNVBAGLBSA-N 1 2 233.315 1.813 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC=CC1 ZINC000655227257 409642028 /nfs/dbraw/zinc/64/20/28/409642028.db2.gz HUZJQLJUKWAPDA-SNVBAGLBSA-N 1 2 233.315 1.813 20 0 BDADLO CC12CC(C1)C[N@@H+]2CC(=O)NCC(F)(F)F ZINC000662381324 409684689 /nfs/dbraw/zinc/68/46/89/409684689.db2.gz PVJXTIYEPWFKQH-UHFFFAOYSA-N 1 2 236.237 1.149 20 0 BDADLO CC12CC(C1)C[N@H+]2CC(=O)NCC(F)(F)F ZINC000662381324 409684698 /nfs/dbraw/zinc/68/46/98/409684698.db2.gz PVJXTIYEPWFKQH-UHFFFAOYSA-N 1 2 236.237 1.149 20 0 BDADLO Cc1nc(C[NH2+]C2(C(=O)N(C)C)CC2)c(C)o1 ZINC000660801206 409761388 /nfs/dbraw/zinc/76/13/88/409761388.db2.gz PIYXIDAKWODYRM-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000655283489 409788311 /nfs/dbraw/zinc/78/83/11/409788311.db2.gz HIOINWXPFJCJOY-VHSXEESVSA-N 1 2 235.331 1.848 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848314 409858572 /nfs/dbraw/zinc/85/85/72/409858572.db2.gz GKKJAIVEIRFRND-MRVPVSSYSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848314 409858582 /nfs/dbraw/zinc/85/85/82/409858582.db2.gz GKKJAIVEIRFRND-MRVPVSSYSA-N 1 2 234.259 1.363 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000651974585 409964100 /nfs/dbraw/zinc/96/41/00/409964100.db2.gz IQGOFRRTBWEWOL-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000651974585 409964105 /nfs/dbraw/zinc/96/41/05/409964105.db2.gz IQGOFRRTBWEWOL-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000651974585 409964111 /nfs/dbraw/zinc/96/41/11/409964111.db2.gz IQGOFRRTBWEWOL-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000651974585 409964112 /nfs/dbraw/zinc/96/41/12/409964112.db2.gz IQGOFRRTBWEWOL-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1noc(C[N@H+](C)CCO[C@@H]2CC2(F)F)n1 ZINC000660925232 409972126 /nfs/dbraw/zinc/97/21/26/409972126.db2.gz ACGQOAYAKIMSJO-MRVPVSSYSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1noc(C[N@@H+](C)CCO[C@@H]2CC2(F)F)n1 ZINC000660925232 409972132 /nfs/dbraw/zinc/97/21/32/409972132.db2.gz ACGQOAYAKIMSJO-MRVPVSSYSA-N 1 2 247.245 1.234 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752261 487611605 /nfs/dbraw/zinc/61/16/05/487611605.db2.gz AETUOIMMRLLRTM-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752261 487611611 /nfs/dbraw/zinc/61/16/11/487611611.db2.gz AETUOIMMRLLRTM-SNVBAGLBSA-N 1 2 238.335 1.002 20 0 BDADLO OCc1ccc(NCc2ccon2)[nH+]c1 ZINC000308902511 409937211 /nfs/dbraw/zinc/93/72/11/409937211.db2.gz CKPOBFRNJIIJFJ-UHFFFAOYSA-N 1 2 205.217 1.174 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674752340 487612052 /nfs/dbraw/zinc/61/20/52/487612052.db2.gz IXOPRQNAOMYHTF-UHFFFAOYSA-N 1 2 232.287 1.063 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674752340 487612056 /nfs/dbraw/zinc/61/20/56/487612056.db2.gz IXOPRQNAOMYHTF-UHFFFAOYSA-N 1 2 232.287 1.063 20 0 BDADLO COc1ncncc1C[NH2+]Cc1ccco1 ZINC000647166863 410046052 /nfs/dbraw/zinc/04/60/52/410046052.db2.gz GWZVQRVSQWEZBW-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC000674752968 487613260 /nfs/dbraw/zinc/61/32/60/487613260.db2.gz PWQZYCSYZAJNLR-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000674752968 487613265 /nfs/dbraw/zinc/61/32/65/487613265.db2.gz PWQZYCSYZAJNLR-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)COCC1CC1 ZINC000651982254 410122948 /nfs/dbraw/zinc/12/29/48/410122948.db2.gz RNIZMHIUVHYNRB-SECBINFHSA-N 1 2 223.320 1.623 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOCCF ZINC000663462180 410254855 /nfs/dbraw/zinc/25/48/55/410254855.db2.gz MVLPWVIGGPBLEU-QMMMGPOBSA-N 1 2 215.272 1.355 20 0 BDADLO CCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000130181440 410395582 /nfs/dbraw/zinc/39/55/82/410395582.db2.gz XJUFEFYBXSSNHR-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000130181440 410395590 /nfs/dbraw/zinc/39/55/90/410395590.db2.gz XJUFEFYBXSSNHR-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]1C(F)F ZINC000663947598 410396568 /nfs/dbraw/zinc/39/65/68/410396568.db2.gz QIXQVSHZEODRQI-ZETCQYMHSA-N 1 2 239.229 1.207 20 0 BDADLO COc1nc(C)cc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664126794 410462625 /nfs/dbraw/zinc/46/26/25/410462625.db2.gz KCVOLELYCJDTJZ-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO COc1nc(C)cc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664126794 410462631 /nfs/dbraw/zinc/46/26/31/410462631.db2.gz KCVOLELYCJDTJZ-UHFFFAOYSA-N 1 2 233.275 1.153 20 0 BDADLO CC/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000650826043 410529171 /nfs/dbraw/zinc/52/91/71/410529171.db2.gz ZYBJEOWSPXUITA-DLRQAJBASA-N 1 2 233.315 1.528 20 0 BDADLO Cn1cc[nH+]c1CN1c2ccccc2C[C@H]1CO ZINC000661367559 410587790 /nfs/dbraw/zinc/58/77/90/410587790.db2.gz ZHSCIHVDUSBFMD-LBPRGKRZSA-N 1 2 243.310 1.344 20 0 BDADLO O[C@@H]1CCN(c2cccc[nH+]2)CC1(F)F ZINC000664258193 410539940 /nfs/dbraw/zinc/53/99/40/410539940.db2.gz JOWIJGOVWIUPHG-MRVPVSSYSA-N 1 2 214.215 1.288 20 0 BDADLO O[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000661405193 410617662 /nfs/dbraw/zinc/61/76/62/410617662.db2.gz CQRUXZMUOTVLAH-GHMZBOCLSA-N 1 2 249.301 1.648 20 0 BDADLO O[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000661405193 410617665 /nfs/dbraw/zinc/61/76/65/410617665.db2.gz CQRUXZMUOTVLAH-GHMZBOCLSA-N 1 2 249.301 1.648 20 0 BDADLO O[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000661405195 410617826 /nfs/dbraw/zinc/61/78/26/410617826.db2.gz CQRUXZMUOTVLAH-QWRGUYRKSA-N 1 2 249.301 1.648 20 0 BDADLO O[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000661405195 410617831 /nfs/dbraw/zinc/61/78/31/410617831.db2.gz CQRUXZMUOTVLAH-QWRGUYRKSA-N 1 2 249.301 1.648 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661414696 410624846 /nfs/dbraw/zinc/62/48/46/410624846.db2.gz UWOCYYWSXVLVSW-BDAKNGLRSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661414696 410624850 /nfs/dbraw/zinc/62/48/50/410624850.db2.gz UWOCYYWSXVLVSW-BDAKNGLRSA-N 1 2 237.290 1.095 20 0 BDADLO CCc1cc(NC[C@@H](OC)[C@@H](C)CC)nc[nH+]1 ZINC000394454636 410798479 /nfs/dbraw/zinc/79/84/79/410798479.db2.gz IMDXITJTGZYGRE-CMPLNLGQSA-N 1 2 237.347 1.934 20 0 BDADLO CCc1cc(NC[C@H](OC)[C@@H](C)CC)nc[nH+]1 ZINC000394454638 410798963 /nfs/dbraw/zinc/79/89/63/410798963.db2.gz IMDXITJTGZYGRE-JQWIXIFHSA-N 1 2 237.347 1.934 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCC1CCC1 ZINC000651092165 410801118 /nfs/dbraw/zinc/80/11/18/410801118.db2.gz DFLXDMJXMCQNMP-UHFFFAOYSA-N 1 2 247.342 1.678 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651105490 410812812 /nfs/dbraw/zinc/81/28/12/410812812.db2.gz ZODBEPHMOFGVCI-WDEREUQCSA-N 1 2 247.342 1.534 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000048812651 167047611 /nfs/dbraw/zinc/04/76/11/167047611.db2.gz WZMMFDCFLWLPDL-UHFFFAOYSA-N 1 2 238.306 1.782 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000048812651 167047614 /nfs/dbraw/zinc/04/76/14/167047614.db2.gz WZMMFDCFLWLPDL-UHFFFAOYSA-N 1 2 238.306 1.782 20 0 BDADLO CC(C)NC(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370041059 167055287 /nfs/dbraw/zinc/05/52/87/167055287.db2.gz COYJSHPJUARQTP-JQWIXIFHSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370041059 167055289 /nfs/dbraw/zinc/05/52/89/167055289.db2.gz COYJSHPJUARQTP-JQWIXIFHSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000294289438 167060387 /nfs/dbraw/zinc/06/03/87/167060387.db2.gz ZCIMVJSRJBMOBW-UWVGGRQHSA-N 1 2 236.319 1.003 20 0 BDADLO CC(C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000370436434 167083956 /nfs/dbraw/zinc/08/39/56/167083956.db2.gz KYJDNCXBBBXKFU-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000370436434 167083958 /nfs/dbraw/zinc/08/39/58/167083958.db2.gz KYJDNCXBBBXKFU-GFCCVEGCSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)OCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000267158276 167186038 /nfs/dbraw/zinc/18/60/38/167186038.db2.gz SJDDAMIHTSVFSN-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO CC(C)OCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283014749 167189340 /nfs/dbraw/zinc/18/93/40/167189340.db2.gz NFQAZCGDOWQHNY-LLVKDONJSA-N 1 2 239.319 1.648 20 0 BDADLO CC(C)OCCCNC(=O)CCn1cc[nH+]c1 ZINC000299653126 167218376 /nfs/dbraw/zinc/21/83/76/167218376.db2.gz XRHBQRQRQXUKMS-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353173880 167270218 /nfs/dbraw/zinc/27/02/18/167270218.db2.gz PSJUQNCZDPRPMN-ZJUUUORDSA-N 1 2 237.290 1.502 20 0 BDADLO CC(C)OC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353173880 167270220 /nfs/dbraw/zinc/27/02/20/167270220.db2.gz PSJUQNCZDPRPMN-ZJUUUORDSA-N 1 2 237.290 1.502 20 0 BDADLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@@H](C)O)no1 ZINC000339205491 167272516 /nfs/dbraw/zinc/27/25/16/167272516.db2.gz SDFXZDDEWRQJIF-BDAKNGLRSA-N 1 2 243.307 1.026 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000298647350 167365000 /nfs/dbraw/zinc/36/50/00/167365000.db2.gz JUGDTUKARFDLAW-LLVKDONJSA-N 1 2 238.335 1.569 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336311361 167366454 /nfs/dbraw/zinc/36/64/54/167366454.db2.gz HQIIXWVMMJSPAH-VXGBXAGGSA-N 1 2 249.358 1.948 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363202320 167376596 /nfs/dbraw/zinc/37/65/96/167376596.db2.gz PMRQXQQZDHIIAQ-GHMZBOCLSA-N 1 2 235.331 1.606 20 0 BDADLO Cc1cc(N(C)[C@@H](C)CCO)nc(C2CC2)[nH+]1 ZINC000651470946 411050132 /nfs/dbraw/zinc/05/01/32/411050132.db2.gz DWLRUAATQBEXJL-JTQLQIEISA-N 1 2 235.331 1.870 20 0 BDADLO CCC[C@@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000652021071 411029447 /nfs/dbraw/zinc/02/94/47/411029447.db2.gz RWCFEUGPGSHXIV-SNVBAGLBSA-N 1 2 238.335 1.891 20 0 BDADLO C[NH+]1CCC(CNc2[nH+]cccc2C(=O)[O-])CC1 ZINC000044526994 411137155 /nfs/dbraw/zinc/13/71/55/411137155.db2.gz ZTWMYKOPSILHRS-UHFFFAOYSA-N 1 2 249.314 1.534 20 0 BDADLO Cc1cn(C)nc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000620926782 411144923 /nfs/dbraw/zinc/14/49/23/411144923.db2.gz UITPKEWWOUGKRP-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO Cc1cn(C)nc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000620926782 411144924 /nfs/dbraw/zinc/14/49/24/411144924.db2.gz UITPKEWWOUGKRP-MRVPVSSYSA-N 1 2 247.302 1.269 20 0 BDADLO CN(CC1CCOCC1)c1cc(CO)cc[nH+]1 ZINC000111167739 411146588 /nfs/dbraw/zinc/14/65/88/411146588.db2.gz BZUTVVNOEZVOKL-UHFFFAOYSA-N 1 2 236.315 1.437 20 0 BDADLO Cc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000045915764 411149991 /nfs/dbraw/zinc/14/99/91/411149991.db2.gz SHMASRRPDXPATK-IUCAKERBSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)[C@@H](C)CCO)nn1C ZINC000652050433 411097457 /nfs/dbraw/zinc/09/74/57/411097457.db2.gz CXNAJAGYSMPBLD-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)[C@@H](C)CCO)nn1C ZINC000652050433 411097460 /nfs/dbraw/zinc/09/74/60/411097460.db2.gz CXNAJAGYSMPBLD-QMMMGPOBSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652062228 411103224 /nfs/dbraw/zinc/10/32/24/411103224.db2.gz CKSGBCWSKVNIFF-JTQLQIEISA-N 1 2 227.258 1.949 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652062228 411103227 /nfs/dbraw/zinc/10/32/27/411103227.db2.gz CKSGBCWSKVNIFF-JTQLQIEISA-N 1 2 227.258 1.949 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)COC)c1 ZINC000652067692 411104250 /nfs/dbraw/zinc/10/42/50/411104250.db2.gz DFAVGCZIUNIIET-SECBINFHSA-N 1 2 210.277 1.675 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CO[C@@H](C)C2)c1 ZINC000652067726 411104367 /nfs/dbraw/zinc/10/43/67/411104367.db2.gz DVGZUPSHHYNQBM-GXSJLCMTSA-N 1 2 222.288 1.817 20 0 BDADLO COCc1cc[nH+]c(NC2CSC2)c1 ZINC000652069005 411106306 /nfs/dbraw/zinc/10/63/06/411106306.db2.gz WPPXNGZWCVGECR-UHFFFAOYSA-N 1 2 210.302 1.755 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2CCOC2)c1 ZINC000652069108 411106316 /nfs/dbraw/zinc/10/63/16/411106316.db2.gz ZYSTUQNKQLUMIV-JTQLQIEISA-N 1 2 208.261 1.429 20 0 BDADLO CCC[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047662305 411161627 /nfs/dbraw/zinc/16/16/27/411161627.db2.gz HESIDXNVNZEKLC-MNOVXSKESA-N 1 2 238.335 1.759 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC2(CCC2)C1 ZINC000660000205 411164974 /nfs/dbraw/zinc/16/49/74/411164974.db2.gz QBTQHPQQICFNQC-UHFFFAOYSA-N 1 2 206.293 1.223 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC2(CCC2)C1 ZINC000660000205 411164978 /nfs/dbraw/zinc/16/49/78/411164978.db2.gz QBTQHPQQICFNQC-UHFFFAOYSA-N 1 2 206.293 1.223 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCOCC12CCC2 ZINC000493165687 411122925 /nfs/dbraw/zinc/12/29/25/411122925.db2.gz YAVUJRLVQDJHSN-IHWYPQMZSA-N 1 2 247.298 1.204 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000047976202 411171108 /nfs/dbraw/zinc/17/11/08/411171108.db2.gz VSJRNTKCQRENGI-BDAKNGLRSA-N 1 2 219.288 1.742 20 0 BDADLO OCC[NH+](CCO)Cc1ccsc1Cl ZINC000659879548 411177146 /nfs/dbraw/zinc/17/71/46/411177146.db2.gz VMEJYLRLEDRBME-UHFFFAOYSA-N 1 2 235.736 1.188 20 0 BDADLO COc1c(C)ncnc1NCCCn1cc[nH+]c1 ZINC000656103844 411178945 /nfs/dbraw/zinc/17/89/45/411178945.db2.gz MKFGPIULOXIJKU-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CCO[C@@H](C)C1 ZINC000656151848 411186781 /nfs/dbraw/zinc/18/67/81/411186781.db2.gz LDLJHLKKDLSRBR-WCBMZHEXSA-N 1 2 237.303 1.773 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1CCCOCC1 ZINC000656154212 411188949 /nfs/dbraw/zinc/18/89/49/411188949.db2.gz IHIFIZZHMRHKNH-JTQLQIEISA-N 1 2 237.303 1.775 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)no1 ZINC000661698951 411189135 /nfs/dbraw/zinc/18/91/35/411189135.db2.gz BVSJIKYWUFYGLL-MKPLZMMCSA-N 1 2 237.303 1.407 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3COC[C@@]3(C)C2)no1 ZINC000661698951 411189138 /nfs/dbraw/zinc/18/91/38/411189138.db2.gz BVSJIKYWUFYGLL-MKPLZMMCSA-N 1 2 237.303 1.407 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H]([C@@H](C)O)C1 ZINC000656155225 411189819 /nfs/dbraw/zinc/18/98/19/411189819.db2.gz MVYKKETWQKPHCS-ZJUUUORDSA-N 1 2 237.303 1.001 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCOCC12CC2 ZINC000336344161 167773304 /nfs/dbraw/zinc/77/33/04/167773304.db2.gz DIORXVZMTIEHKI-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)CCCCO ZINC000656194680 411201432 /nfs/dbraw/zinc/20/14/32/411201432.db2.gz NQEVKFOVKYNPRH-SECBINFHSA-N 1 2 239.319 1.757 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2nc[nH+]c(C)c2OC)C1 ZINC000656200359 411203800 /nfs/dbraw/zinc/20/38/00/411203800.db2.gz KIWOBYOIWPZKQT-AOOOYVTPSA-N 1 2 237.303 1.773 20 0 BDADLO CC[NH+](CC)Cc1csc(NC(C)=O)n1 ZINC000066406088 411205854 /nfs/dbraw/zinc/20/58/54/411205854.db2.gz AQBGRWRVWQXFAQ-UHFFFAOYSA-N 1 2 227.333 1.943 20 0 BDADLO Cc1noc(C[N@@H+](C)[C@H]2C=CCCC2)n1 ZINC000653890680 411210952 /nfs/dbraw/zinc/21/09/52/411210952.db2.gz JMBZJGKTNQVVPZ-JTQLQIEISA-N 1 2 207.277 1.919 20 0 BDADLO Cc1noc(C[N@H+](C)[C@H]2C=CCCC2)n1 ZINC000653890680 411210954 /nfs/dbraw/zinc/21/09/54/411210954.db2.gz JMBZJGKTNQVVPZ-JTQLQIEISA-N 1 2 207.277 1.919 20 0 BDADLO Cc1noc(CN(C)c2cc[nH+]c(C)n2)n1 ZINC000656226974 411212750 /nfs/dbraw/zinc/21/27/50/411212750.db2.gz JWXWWZXLVLWHKE-UHFFFAOYSA-N 1 2 219.248 1.113 20 0 BDADLO CCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000048750330 411213820 /nfs/dbraw/zinc/21/38/20/411213820.db2.gz JALJIIPFWFQUEY-UHFFFAOYSA-N 1 2 217.272 1.669 20 0 BDADLO Cc1ccc(Cn2cc(CCO)cn2)c[nH+]1 ZINC000655672182 411219494 /nfs/dbraw/zinc/21/94/94/411219494.db2.gz DRBGDNHPEOOMTD-UHFFFAOYSA-N 1 2 217.272 1.170 20 0 BDADLO Cn1c[nH+]cc1CN1CC2(CC2(F)F)C1 ZINC000656265565 411221759 /nfs/dbraw/zinc/22/17/59/411221759.db2.gz BWUZYGIZZJYCME-UHFFFAOYSA-N 1 2 213.231 1.261 20 0 BDADLO Cn1cncc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265565 411221762 /nfs/dbraw/zinc/22/17/62/411221762.db2.gz BWUZYGIZZJYCME-UHFFFAOYSA-N 1 2 213.231 1.261 20 0 BDADLO CC(C)n1ncnc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000336461223 167800414 /nfs/dbraw/zinc/80/04/14/167800414.db2.gz UWARBUYJSYUGPZ-UWVGGRQHSA-N 1 2 208.309 1.842 20 0 BDADLO CCC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000652392061 411224844 /nfs/dbraw/zinc/22/48/44/411224844.db2.gz YRAWODNUZHNRMJ-UHFFFAOYSA-N 1 2 247.342 1.821 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1c(Cl)cnn1C)C1CC1 ZINC000656277629 411227891 /nfs/dbraw/zinc/22/78/91/411227891.db2.gz CYQHORJYECNFJT-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1c(Cl)cnn1C)C1CC1 ZINC000656277629 411227897 /nfs/dbraw/zinc/22/78/97/411227897.db2.gz CYQHORJYECNFJT-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO COCc1cc(C[N@H+](C[C@H](C)O)C2CC2)no1 ZINC000656279263 411228857 /nfs/dbraw/zinc/22/88/57/411228857.db2.gz NCWPDVWVKFWMMO-VIFPVBQESA-N 1 2 240.303 1.166 20 0 BDADLO COCc1cc(C[N@@H+](C[C@H](C)O)C2CC2)no1 ZINC000656279263 411228859 /nfs/dbraw/zinc/22/88/59/411228859.db2.gz NCWPDVWVKFWMMO-VIFPVBQESA-N 1 2 240.303 1.166 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000049237805 411229879 /nfs/dbraw/zinc/22/98/79/411229879.db2.gz YFESHEPZAZKHQL-SECBINFHSA-N 1 2 246.270 1.477 20 0 BDADLO CCCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660099086 411230547 /nfs/dbraw/zinc/23/05/47/411230547.db2.gz DTMKBWKSKIXGTG-SECBINFHSA-N 1 2 224.308 1.580 20 0 BDADLO CC(C)CN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660099650 411230652 /nfs/dbraw/zinc/23/06/52/411230652.db2.gz IHEYKQIFHPIKBZ-SNVBAGLBSA-N 1 2 238.335 1.779 20 0 BDADLO Cc1cccc(-n2cc([C@H]3COCC[NH2+]3)nn2)c1 ZINC000656434979 411247750 /nfs/dbraw/zinc/24/77/50/411247750.db2.gz BOKUYWOUJWUNTM-CYBMUJFWSA-N 1 2 244.298 1.237 20 0 BDADLO Cc1cc(-c2[nH+]ccn2C)ccc1CO ZINC000656371371 411236573 /nfs/dbraw/zinc/23/65/73/411236573.db2.gz GQNJTFKWPYJAPN-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Cn1cc[nH+]c1-c1ccc2c(c1)CCC(=O)N2C ZINC000656371290 411239364 /nfs/dbraw/zinc/23/93/64/411239364.db2.gz CAKFPXSRACWTPE-UHFFFAOYSA-N 1 2 241.294 1.996 20 0 BDADLO C[C@H](CC[NH+](C)C)Nc1[nH+]cccc1C(=O)[O-] ZINC000049560473 411240725 /nfs/dbraw/zinc/24/07/25/411240725.db2.gz CENFFICHTNTBFD-SECBINFHSA-N 1 2 237.303 1.532 20 0 BDADLO C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000049560478 411241310 /nfs/dbraw/zinc/24/13/10/411241310.db2.gz VFQVNGSKXBKBEF-VIFPVBQESA-N 1 2 237.303 1.532 20 0 BDADLO CCc1nnc([C@@H](C)[NH+]2CCC(C)(O)CC2)[nH]1 ZINC000660002104 411166859 /nfs/dbraw/zinc/16/68/59/411166859.db2.gz JBBXOGWQDYGVEW-SECBINFHSA-N 1 2 238.335 1.275 20 0 BDADLO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)on1 ZINC000660150338 411265300 /nfs/dbraw/zinc/26/53/00/411265300.db2.gz ISALKBKZJWXEMT-LLVKDONJSA-N 1 2 238.287 1.294 20 0 BDADLO COc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)on1 ZINC000660150338 411265302 /nfs/dbraw/zinc/26/53/02/411265302.db2.gz ISALKBKZJWXEMT-LLVKDONJSA-N 1 2 238.287 1.294 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)[nH]1 ZINC000658158305 411271283 /nfs/dbraw/zinc/27/12/83/411271283.db2.gz XWFGTNJQJWIFAT-IWSPIJDZSA-N 1 2 224.308 1.085 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453354 411276075 /nfs/dbraw/zinc/27/60/75/411276075.db2.gz UMMSNWUVSVMBLU-RNJXMRFFSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000656453354 411276077 /nfs/dbraw/zinc/27/60/77/411276077.db2.gz UMMSNWUVSVMBLU-RNJXMRFFSA-N 1 2 227.226 1.019 20 0 BDADLO COCCCOCC[N@H+](C)Cc1coc(C)n1 ZINC000660170576 411279156 /nfs/dbraw/zinc/27/91/56/411279156.db2.gz HNQGAYHWZZBXFB-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1coc(C)n1 ZINC000660170576 411279158 /nfs/dbraw/zinc/27/91/58/411279158.db2.gz HNQGAYHWZZBXFB-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO CC[C@H](NCc1cn(CC)nn1)c1[nH+]ccn1C ZINC000658175541 411281766 /nfs/dbraw/zinc/28/17/66/411281766.db2.gz DTYGPEYSSBZIEN-NSHDSACASA-N 1 2 248.334 1.272 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2c[nH]nc2C)nn1 ZINC000658176121 411282563 /nfs/dbraw/zinc/28/25/63/411282563.db2.gz LEGSPTGGPFQJGH-QMMMGPOBSA-N 1 2 234.307 1.180 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2c[nH]nc2C)nn1 ZINC000658176120 411283123 /nfs/dbraw/zinc/28/31/23/411283123.db2.gz LEGSPTGGPFQJGH-MRVPVSSYSA-N 1 2 234.307 1.180 20 0 BDADLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000514623414 411283754 /nfs/dbraw/zinc/28/37/54/411283754.db2.gz JINWZJPOGUADKQ-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000514623414 411283757 /nfs/dbraw/zinc/28/37/57/411283757.db2.gz JINWZJPOGUADKQ-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC2(CC(F)C2)C1 ZINC000656695302 411333209 /nfs/dbraw/zinc/33/32/09/411333209.db2.gz HEEOSPCDKIFPNV-UHFFFAOYSA-N 1 2 209.268 1.652 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC2(CC(F)C2)C1 ZINC000656695302 411333211 /nfs/dbraw/zinc/33/32/11/411333211.db2.gz HEEOSPCDKIFPNV-UHFFFAOYSA-N 1 2 209.268 1.652 20 0 BDADLO CC[C@@H](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000656542270 411294621 /nfs/dbraw/zinc/29/46/21/411294621.db2.gz IXULGKQZCJVCQB-LLVKDONJSA-N 1 2 238.335 1.619 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC000654001513 411309500 /nfs/dbraw/zinc/30/95/00/411309500.db2.gz XTYOBQHBLDLSLC-KXUCPTDWSA-N 1 2 221.304 1.736 20 0 BDADLO Cc1[nH+]c2ccccc2n1C[C@@]1(O)CCCOC1 ZINC000656692323 411331665 /nfs/dbraw/zinc/33/16/65/411331665.db2.gz SCBQHJDDWLXPCF-AWEZNQCLSA-N 1 2 246.310 1.886 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)no1 ZINC000661829916 411317262 /nfs/dbraw/zinc/31/72/62/411317262.db2.gz DXIAPYWBYHXKIN-UJNFCWOMSA-N 1 2 237.303 1.332 20 0 BDADLO CCOC1C[NH+](Cc2ccc(O)cc2)C1 ZINC000656657948 411317559 /nfs/dbraw/zinc/31/75/59/411317559.db2.gz SBVMGDCLOXPMHC-UHFFFAOYSA-N 1 2 207.273 1.613 20 0 BDADLO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccn(C)n2)C1 ZINC000658287165 411323816 /nfs/dbraw/zinc/32/38/16/411323816.db2.gz WVUBZJAIGFPGHX-RYUDHWBXSA-N 1 2 236.363 1.555 20 0 BDADLO Cc1ccc(Cn2cc(Cn3cc[nH+]c3)nn2)o1 ZINC000656448627 411254989 /nfs/dbraw/zinc/25/49/89/411254989.db2.gz VAEOHEISJUKVJJ-UHFFFAOYSA-N 1 2 243.270 1.473 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1ccc2c(n1)CCC2 ZINC000656441022 411258728 /nfs/dbraw/zinc/25/87/28/411258728.db2.gz HTPQQPPKWJSTEM-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc2c(n1)CCC2 ZINC000656441022 411258730 /nfs/dbraw/zinc/25/87/30/411258730.db2.gz HTPQQPPKWJSTEM-UHFFFAOYSA-N 1 2 242.326 1.925 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cccnn1 ZINC000656772160 411354658 /nfs/dbraw/zinc/35/46/58/411354658.db2.gz DSTTVPYGBLDMNB-UHFFFAOYSA-N 1 2 217.276 1.866 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000403745935 411358659 /nfs/dbraw/zinc/35/86/59/411358659.db2.gz UWOXSXILWARXJP-QWRGUYRKSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000403745935 411358662 /nfs/dbraw/zinc/35/86/62/411358662.db2.gz UWOXSXILWARXJP-QWRGUYRKSA-N 1 2 239.315 1.771 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCc3nccnc3C2)o1 ZINC000662120359 411362629 /nfs/dbraw/zinc/36/26/29/411362629.db2.gz DKHVJYLRZPGKGN-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCc3nccnc3C2)o1 ZINC000662120359 411362631 /nfs/dbraw/zinc/36/26/31/411362631.db2.gz DKHVJYLRZPGKGN-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1nnc([C@@H](C)N2CCn3c[nH+]cc3C2)s1 ZINC000660582746 411336432 /nfs/dbraw/zinc/33/64/32/411336432.db2.gz ZFUFLOZPJSMGFW-MRVPVSSYSA-N 1 2 249.343 1.620 20 0 BDADLO CC(C)c1nnc(CN2CCn3c[nH+]cc3C2)[nH]1 ZINC000660583021 411336978 /nfs/dbraw/zinc/33/69/78/411336978.db2.gz DJHQDLDSWFESBJ-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccc(CO)o2)C1 ZINC000656736111 411341193 /nfs/dbraw/zinc/34/11/93/411341193.db2.gz JLFQEDVISVPDNR-UHFFFAOYSA-N 1 2 225.288 1.383 20 0 BDADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1nccn1C(F)F ZINC000335629982 168007704 /nfs/dbraw/zinc/00/77/04/168007704.db2.gz DBWSMOKIMOOVIQ-MRVPVSSYSA-N 1 2 245.273 1.623 20 0 BDADLO CC1(C)[C@H](O)CC[N@H+]1Cc1nccn1C(F)F ZINC000335629982 168007706 /nfs/dbraw/zinc/00/77/06/168007706.db2.gz DBWSMOKIMOOVIQ-MRVPVSSYSA-N 1 2 245.273 1.623 20 0 BDADLO CC1(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336409427 168018188 /nfs/dbraw/zinc/01/81/88/168018188.db2.gz PVGLQJQAKRFVIR-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CC1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000336440432 168036288 /nfs/dbraw/zinc/03/62/88/168036288.db2.gz QYAMHOBBAFMUDK-JTQLQIEISA-N 1 2 233.315 1.362 20 0 BDADLO CC1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC000365978833 168060363 /nfs/dbraw/zinc/06/03/63/168060363.db2.gz MHLUDLNLLAOIIP-VIFPVBQESA-N 1 2 233.315 1.888 20 0 BDADLO CC1(NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CCC1 ZINC000365978833 168060365 /nfs/dbraw/zinc/06/03/65/168060365.db2.gz MHLUDLNLLAOIIP-VIFPVBQESA-N 1 2 233.315 1.888 20 0 BDADLO CC1(O)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000160803405 168066221 /nfs/dbraw/zinc/06/62/21/168066221.db2.gz QPPSVJQCDVOUNQ-UHFFFAOYSA-N 1 2 231.299 1.914 20 0 BDADLO CC1=CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000336454952 168096627 /nfs/dbraw/zinc/09/66/27/168096627.db2.gz FUOKGDIRLFXSNQ-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO CC(C)[C@@H](C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486242 411376784 /nfs/dbraw/zinc/37/67/84/411376784.db2.gz SEKIJCALQAYZNG-SNVBAGLBSA-N 1 2 239.367 1.904 20 0 BDADLO CC(C)[C@@H](C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486242 411376787 /nfs/dbraw/zinc/37/67/87/411376787.db2.gz SEKIJCALQAYZNG-SNVBAGLBSA-N 1 2 239.367 1.904 20 0 BDADLO CC1C[NH+](Cc2ccn(C(F)F)n2)C1 ZINC000338951501 168191700 /nfs/dbraw/zinc/19/17/00/168191700.db2.gz IOANBVNPLJMOKR-UHFFFAOYSA-N 1 2 201.220 1.730 20 0 BDADLO CCC(=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367572388 168201916 /nfs/dbraw/zinc/20/19/16/168201916.db2.gz DQKNCDVOXPMPHX-CHWSQXEVSA-N 1 2 241.331 1.235 20 0 BDADLO CCC(=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367572388 168201918 /nfs/dbraw/zinc/20/19/18/168201918.db2.gz DQKNCDVOXPMPHX-CHWSQXEVSA-N 1 2 241.331 1.235 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000370204491 168202225 /nfs/dbraw/zinc/20/22/25/168202225.db2.gz QQFKFXFJPWBEBH-BONVTDFDSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000370204491 168202228 /nfs/dbraw/zinc/20/22/28/168202228.db2.gz QQFKFXFJPWBEBH-BONVTDFDSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CCN1CCn2cc(C)[nH+]c2C1 ZINC000365187065 168204722 /nfs/dbraw/zinc/20/47/22/168204722.db2.gz YTMHUCXDWQHFBP-UHFFFAOYSA-N 1 2 221.304 1.376 20 0 BDADLO CO[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C1CCC1 ZINC000659295699 411390171 /nfs/dbraw/zinc/39/01/71/411390171.db2.gz YNTMXKSBTUWABK-LLVKDONJSA-N 1 2 235.287 1.417 20 0 BDADLO CCC(=O)NCCCCNc1cccc[nH+]1 ZINC000264135985 168228536 /nfs/dbraw/zinc/22/85/36/168228536.db2.gz VEQYTQQOVNHYPW-UHFFFAOYSA-N 1 2 221.304 1.800 20 0 BDADLO CCC(C)(C)CC(=O)Nc1cc[nH+]cc1O ZINC000330786798 168273652 /nfs/dbraw/zinc/27/36/52/168273652.db2.gz NZNIXKHQKCTNDU-UHFFFAOYSA-N 1 2 222.288 1.974 20 0 BDADLO CCC(C)(C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000330925557 168274681 /nfs/dbraw/zinc/27/46/81/168274681.db2.gz HGACAKASAKGNNF-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CCC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000277333332 168280990 /nfs/dbraw/zinc/28/09/90/168280990.db2.gz MMIHAQJHIJGBFL-UHFFFAOYSA-N 1 2 209.293 1.884 20 0 BDADLO CCC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276712409 168287556 /nfs/dbraw/zinc/28/75/56/168287556.db2.gz RIHTXZKHJJTMNU-AATRIKPKSA-N 1 2 207.277 1.728 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654881228 411459178 /nfs/dbraw/zinc/45/91/78/411459178.db2.gz GOLMTUPFYBZMCZ-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654881228 411459182 /nfs/dbraw/zinc/45/91/82/411459182.db2.gz GOLMTUPFYBZMCZ-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO CC(C)[N@H+](Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC000653496379 411394517 /nfs/dbraw/zinc/39/45/17/411394517.db2.gz PDZUSDRCRHYPMD-UHFFFAOYSA-N 1 2 237.351 1.801 20 0 BDADLO CC(C)[N@@H+](Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC000653496379 411394520 /nfs/dbraw/zinc/39/45/20/411394520.db2.gz PDZUSDRCRHYPMD-UHFFFAOYSA-N 1 2 237.351 1.801 20 0 BDADLO CCC[C@@H](C)S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000657028308 411394604 /nfs/dbraw/zinc/39/46/04/411394604.db2.gz GEAFIZSAHICSLO-SECBINFHSA-N 1 2 245.348 1.360 20 0 BDADLO CCC[C@@H](C)S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000657028308 411394608 /nfs/dbraw/zinc/39/46/08/411394608.db2.gz GEAFIZSAHICSLO-SECBINFHSA-N 1 2 245.348 1.360 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654434037 411396836 /nfs/dbraw/zinc/39/68/36/411396836.db2.gz HWCZPQOMUYBLNO-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654434037 411396841 /nfs/dbraw/zinc/39/68/41/411396841.db2.gz HWCZPQOMUYBLNO-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000657069553 411400022 /nfs/dbraw/zinc/40/00/22/411400022.db2.gz VZOPHRDHPYNUPU-UHFFFAOYSA-N 1 2 219.288 1.318 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405042991 411414496 /nfs/dbraw/zinc/41/44/96/411414496.db2.gz DHZWWBOYPGTNSX-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000405042991 411414499 /nfs/dbraw/zinc/41/44/99/411414499.db2.gz DHZWWBOYPGTNSX-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@](C)(O)C[N@@H+]1CCCC(F)(F)C1 ZINC000405089888 411416840 /nfs/dbraw/zinc/41/68/40/411416840.db2.gz VQLSZWBODRCRHS-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@](C)(O)C[N@H+]1CCCC(F)(F)C1 ZINC000405089888 411416843 /nfs/dbraw/zinc/41/68/43/411416843.db2.gz VQLSZWBODRCRHS-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cs1 ZINC000657209108 411418790 /nfs/dbraw/zinc/41/87/90/411418790.db2.gz TYYVWYDJKPPYQH-KOLCDFICSA-N 1 2 224.329 1.754 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cs1 ZINC000657209108 411418792 /nfs/dbraw/zinc/41/87/92/411418792.db2.gz TYYVWYDJKPPYQH-KOLCDFICSA-N 1 2 224.329 1.754 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CCC[C@H]2C2CC2)n1 ZINC000653542352 411419361 /nfs/dbraw/zinc/41/93/61/411419361.db2.gz OHDVDDYBYHUJRA-NSHDSACASA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CCC[C@H]2C2CC2)n1 ZINC000653542352 411419364 /nfs/dbraw/zinc/41/93/64/411419364.db2.gz OHDVDDYBYHUJRA-NSHDSACASA-N 1 2 249.362 1.803 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)nc(C)n1 ZINC000659820554 411462617 /nfs/dbraw/zinc/46/26/17/411462617.db2.gz HWAZWDBCEQIOEX-WDEREUQCSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)nc(C)n1 ZINC000659820554 411462620 /nfs/dbraw/zinc/46/26/20/411462620.db2.gz HWAZWDBCEQIOEX-WDEREUQCSA-N 1 2 235.331 1.703 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000657267132 411436615 /nfs/dbraw/zinc/43/66/15/411436615.db2.gz CDOJTDOOBPJPMR-QWHCGFSZSA-N 1 2 247.298 1.066 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)CO)ccn12 ZINC000654909301 411463411 /nfs/dbraw/zinc/46/34/11/411463411.db2.gz DMQRNAZVKUBMCT-VIFPVBQESA-N 1 2 247.298 1.001 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279435322 411447971 /nfs/dbraw/zinc/44/79/71/411447971.db2.gz MTYUGUIYPAXRHE-BDAKNGLRSA-N 1 2 223.320 1.811 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279435322 411447974 /nfs/dbraw/zinc/44/79/74/411447974.db2.gz MTYUGUIYPAXRHE-BDAKNGLRSA-N 1 2 223.320 1.811 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1CC1 ZINC000654840081 411453407 /nfs/dbraw/zinc/45/34/07/411453407.db2.gz JPBQKCYJQGJHDU-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1CC1 ZINC000654840081 411453408 /nfs/dbraw/zinc/45/34/08/411453408.db2.gz JPBQKCYJQGJHDU-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000659844700 411474795 /nfs/dbraw/zinc/47/47/95/411474795.db2.gz FNUQHTAABSMERW-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000659844700 411474798 /nfs/dbraw/zinc/47/47/98/411474798.db2.gz FNUQHTAABSMERW-ZJUUUORDSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](CC)CCOC)[nH]1 ZINC000659851903 411476798 /nfs/dbraw/zinc/47/67/98/411476798.db2.gz GFYRPIOAWXYFNM-SECBINFHSA-N 1 2 226.324 1.396 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](CC)CCOC)[nH]1 ZINC000659851903 411476801 /nfs/dbraw/zinc/47/68/01/411476801.db2.gz GFYRPIOAWXYFNM-SECBINFHSA-N 1 2 226.324 1.396 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CCC1 ZINC000127466357 411489856 /nfs/dbraw/zinc/48/98/56/411489856.db2.gz ACEHPBRYDQYPRM-UHFFFAOYSA-N 1 2 208.265 1.104 20 0 BDADLO COc1ccc(NCc2[nH]cc(C)[nH+]2)cn1 ZINC000657401235 411496086 /nfs/dbraw/zinc/49/60/86/411496086.db2.gz SOGJRRWMRPFFKH-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCCC2CC2)c1 ZINC000655107584 411496311 /nfs/dbraw/zinc/49/63/11/411496311.db2.gz GOLQOUQKGDOZOY-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cn(C)cn1 ZINC000659929828 411501856 /nfs/dbraw/zinc/50/18/56/411501856.db2.gz WJYZXVJUBQANPR-CYBMUJFWSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cn(C)cn1 ZINC000659929828 411501858 /nfs/dbraw/zinc/50/18/58/411501858.db2.gz WJYZXVJUBQANPR-CYBMUJFWSA-N 1 2 237.347 1.667 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000659933220 411503221 /nfs/dbraw/zinc/50/32/21/411503221.db2.gz XNULXVWULBCBOK-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000659933220 411503223 /nfs/dbraw/zinc/50/32/23/411503223.db2.gz XNULXVWULBCBOK-CYBMUJFWSA-N 1 2 235.331 1.704 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000655139157 411503463 /nfs/dbraw/zinc/50/34/63/411503463.db2.gz GTYQCSLVABVOGC-GAFUQQFSSA-N 1 2 247.342 1.751 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000655139157 411503465 /nfs/dbraw/zinc/50/34/65/411503465.db2.gz GTYQCSLVABVOGC-GAFUQQFSSA-N 1 2 247.342 1.751 20 0 BDADLO CCC[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655795343 411516292 /nfs/dbraw/zinc/51/62/92/411516292.db2.gz AIFYXPRZKKDSSZ-NXEZZACHSA-N 1 2 238.335 1.934 20 0 BDADLO C[N@H+](Cc1cc(C2CC2)no1)Cc1cnccn1 ZINC000659990722 411520772 /nfs/dbraw/zinc/52/07/72/411520772.db2.gz GHGNAUBQYWXKTK-UHFFFAOYSA-N 1 2 244.298 1.974 20 0 BDADLO C[N@@H+](Cc1cc(C2CC2)no1)Cc1cnccn1 ZINC000659990722 411520774 /nfs/dbraw/zinc/52/07/74/411520774.db2.gz GHGNAUBQYWXKTK-UHFFFAOYSA-N 1 2 244.298 1.974 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)sn1 ZINC000660009793 411527195 /nfs/dbraw/zinc/52/71/95/411527195.db2.gz ARSJWLBBUAUYKV-IUCAKERBSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)sn1 ZINC000660009793 411527196 /nfs/dbraw/zinc/52/71/96/411527196.db2.gz ARSJWLBBUAUYKV-IUCAKERBSA-N 1 2 242.344 1.761 20 0 BDADLO C[C@H]1OCCN(Cc2cn(C)c[nH+]2)[C@@H]1C ZINC000660009269 411527571 /nfs/dbraw/zinc/52/75/71/411527571.db2.gz PFGPJAXSVDDTQC-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cn(C)cn2)[C@@H]1C ZINC000660009269 411527574 /nfs/dbraw/zinc/52/75/74/411527574.db2.gz PFGPJAXSVDDTQC-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cn(C)cn2)[C@@H]1C ZINC000660009269 411527577 /nfs/dbraw/zinc/52/75/77/411527577.db2.gz PFGPJAXSVDDTQC-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1OCCN(Cc2cn(C)c[nH+]2)[C@H]1C ZINC000660009270 411527844 /nfs/dbraw/zinc/52/78/44/411527844.db2.gz PFGPJAXSVDDTQC-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cn(C)cn2)[C@H]1C ZINC000660009270 411527846 /nfs/dbraw/zinc/52/78/46/411527846.db2.gz PFGPJAXSVDDTQC-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cn(C)cn2)[C@H]1C ZINC000660009270 411527847 /nfs/dbraw/zinc/52/78/47/411527847.db2.gz PFGPJAXSVDDTQC-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cn[nH]c1 ZINC000657482892 411527946 /nfs/dbraw/zinc/52/79/46/411527946.db2.gz IJGIJOOBKDLKNB-SECBINFHSA-N 1 2 219.292 1.477 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC=C(C)C ZINC000364626196 170001304 /nfs/dbraw/zinc/00/13/04/170001304.db2.gz DKHKWSXKRYUKRA-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCC=C(C)C ZINC000364626196 170001306 /nfs/dbraw/zinc/00/13/06/170001306.db2.gz DKHKWSXKRYUKRA-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCC(C)C ZINC000371333356 170001518 /nfs/dbraw/zinc/00/15/18/170001518.db2.gz AHKKQKSMKGOGPT-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCCC(C)C ZINC000371333356 170001520 /nfs/dbraw/zinc/00/15/20/170001520.db2.gz AHKKQKSMKGOGPT-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO CCN1CC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000328515517 170012097 /nfs/dbraw/zinc/01/20/97/170012097.db2.gz PKKCOWCUNIGBDB-CQSZACIVSA-N 1 2 239.407 1.543 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000267439046 170054963 /nfs/dbraw/zinc/05/49/63/170054963.db2.gz YHRSTFDHHYYUCL-JTQLQIEISA-N 1 2 221.304 1.211 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000267439046 170054964 /nfs/dbraw/zinc/05/49/64/170054964.db2.gz YHRSTFDHHYYUCL-JTQLQIEISA-N 1 2 221.304 1.211 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000158115082 170060654 /nfs/dbraw/zinc/06/06/54/170060654.db2.gz RPSUDYPGVWFZQD-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000158115082 170060656 /nfs/dbraw/zinc/06/06/56/170060656.db2.gz RPSUDYPGVWFZQD-UHFFFAOYSA-N 1 2 236.290 1.320 20 0 BDADLO CC[C@](C)([NH2+]C[C@H]1CNC(=O)C1)C(F)(F)F ZINC000660083772 411535493 /nfs/dbraw/zinc/53/54/93/411535493.db2.gz RHINSTIQNQZPIJ-APPZFPTMSA-N 1 2 238.253 1.443 20 0 BDADLO Cc1cnc([C@H](C)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000660143652 411545067 /nfs/dbraw/zinc/54/50/67/411545067.db2.gz YPDBMGXRZJEWPC-VIFPVBQESA-N 1 2 220.276 1.899 20 0 BDADLO CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000083746833 170165012 /nfs/dbraw/zinc/16/50/12/170165012.db2.gz ZWJXJMGZXHFVQU-SNVBAGLBSA-N 1 2 202.261 1.504 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOCC23CCCC3)c1 ZINC000660150988 411547234 /nfs/dbraw/zinc/54/72/34/411547234.db2.gz WMMLXSPPWWBWJC-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1cnc(C[N@H+]2CCOCC23CCCC3)c1 ZINC000660150988 411547236 /nfs/dbraw/zinc/54/72/36/411547236.db2.gz WMMLXSPPWWBWJC-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO CCOC(=O)C(C)(C)N(C)Cc1c[nH+]cn1C ZINC000339789283 170186067 /nfs/dbraw/zinc/18/60/67/170186067.db2.gz WYNXEKGTMDSLQM-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cn(CC)nn1 ZINC000657625027 411565981 /nfs/dbraw/zinc/56/59/81/411565981.db2.gz SGDINFOTQXDSNB-UHFFFAOYSA-N 1 2 235.291 1.138 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361957682 170219027 /nfs/dbraw/zinc/21/90/27/170219027.db2.gz FKKQTCOKTKNHNS-LLVKDONJSA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361957682 170219029 /nfs/dbraw/zinc/21/90/29/170219029.db2.gz FKKQTCOKTKNHNS-LLVKDONJSA-N 1 2 249.314 1.219 20 0 BDADLO CCOC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288907035 170220032 /nfs/dbraw/zinc/22/00/32/170220032.db2.gz TVXRKVWNUIOFJB-UHFFFAOYSA-N 1 2 223.272 1.591 20 0 BDADLO CCOC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288907035 170220034 /nfs/dbraw/zinc/22/00/34/170220034.db2.gz TVXRKVWNUIOFJB-UHFFFAOYSA-N 1 2 223.272 1.591 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000364791238 170220170 /nfs/dbraw/zinc/22/01/70/170220170.db2.gz WLLOEEUWSMTLJT-SNVBAGLBSA-N 1 2 223.272 1.632 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000364791238 170220171 /nfs/dbraw/zinc/22/01/71/170220171.db2.gz WLLOEEUWSMTLJT-SNVBAGLBSA-N 1 2 223.272 1.632 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289360317 170220491 /nfs/dbraw/zinc/22/04/91/170220491.db2.gz ODZQXYLRUVRETE-ZDUSSCGKSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289360317 170220493 /nfs/dbraw/zinc/22/04/93/170220493.db2.gz ODZQXYLRUVRETE-ZDUSSCGKSA-N 1 2 248.326 1.824 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000342136460 170221056 /nfs/dbraw/zinc/22/10/56/170221056.db2.gz UDBPHPNXKLLEGH-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000342136460 170221057 /nfs/dbraw/zinc/22/10/57/170221057.db2.gz UDBPHPNXKLLEGH-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000341895094 170221194 /nfs/dbraw/zinc/22/11/94/170221194.db2.gz WDBJNZAAFWFFPZ-ZDUSSCGKSA-N 1 2 233.311 1.867 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000341895094 170221196 /nfs/dbraw/zinc/22/11/96/170221196.db2.gz WDBJNZAAFWFFPZ-ZDUSSCGKSA-N 1 2 233.311 1.867 20 0 BDADLO CCOC(=O)C[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000375731201 170225446 /nfs/dbraw/zinc/22/54/46/170225446.db2.gz NFOXILCJRZKQPZ-OLZOCXBDSA-N 1 2 241.331 1.344 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000342180056 170226709 /nfs/dbraw/zinc/22/67/09/170226709.db2.gz YKVORJXVIPSPJF-SNVBAGLBSA-N 1 2 235.283 1.012 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000043638704 170247137 /nfs/dbraw/zinc/24/71/37/170247137.db2.gz WJIPWOWIEWKTNP-SECBINFHSA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000043638704 170247138 /nfs/dbraw/zinc/24/71/38/170247138.db2.gz WJIPWOWIEWKTNP-SECBINFHSA-N 1 2 225.288 1.971 20 0 BDADLO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1noc(C)n1 ZINC000274166170 170249235 /nfs/dbraw/zinc/24/92/35/170249235.db2.gz AKDHCXPCOYLQIE-JGVFFNPUSA-N 1 2 241.291 1.055 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000125764160 170259071 /nfs/dbraw/zinc/25/90/71/170259071.db2.gz IVYJJACAXZTIPZ-ZJUUUORDSA-N 1 2 237.303 1.231 20 0 BDADLO CC(C)(C)[C@H]1CC[N@H+](CCc2cnn[nH]2)C1 ZINC000660254193 411560872 /nfs/dbraw/zinc/56/08/72/411560872.db2.gz LOWLUCNQSBOXGN-JTQLQIEISA-N 1 2 222.336 1.715 20 0 BDADLO CC(C)(C)[C@H]1CC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660254193 411560873 /nfs/dbraw/zinc/56/08/73/411560873.db2.gz LOWLUCNQSBOXGN-JTQLQIEISA-N 1 2 222.336 1.715 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1cccnc1 ZINC000084120510 170271664 /nfs/dbraw/zinc/27/16/64/170271664.db2.gz HSQJWRSFLIBJFL-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1cccnc1 ZINC000084120510 170271665 /nfs/dbraw/zinc/27/16/65/170271665.db2.gz HSQJWRSFLIBJFL-LBPRGKRZSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362566009 170271911 /nfs/dbraw/zinc/27/19/11/170271911.db2.gz WEUBKMZANKFVHJ-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362566009 170271913 /nfs/dbraw/zinc/27/19/13/170271913.db2.gz WEUBKMZANKFVHJ-NWDGAFQWSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1cnn(C)c1 ZINC000077901479 170272043 /nfs/dbraw/zinc/27/20/43/170272043.db2.gz CMFQFMQOFJFBTB-NSHDSACASA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1cnn(C)c1 ZINC000077901479 170272045 /nfs/dbraw/zinc/27/20/45/170272045.db2.gz CMFQFMQOFJFBTB-NSHDSACASA-N 1 2 239.319 1.194 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCOC1(C)C ZINC000328392488 170272247 /nfs/dbraw/zinc/27/22/47/170272247.db2.gz OVNQNKOHPQKNFR-VHSXEESVSA-N 1 2 229.320 1.485 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+]CCc2ccoc2)n1 ZINC000657654447 411571337 /nfs/dbraw/zinc/57/13/37/411571337.db2.gz ULCCSUKTLIJDNH-UHFFFAOYSA-N 1 2 249.318 1.353 20 0 BDADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1csnn1 ZINC000660365974 411572658 /nfs/dbraw/zinc/57/26/58/411572658.db2.gz AFZLLAIYPRMJDH-HTQZYQBOSA-N 1 2 227.333 1.272 20 0 BDADLO CCOC1CC(C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000289206183 170322610 /nfs/dbraw/zinc/32/26/10/170322610.db2.gz MOALPWKQPMOXIV-UHFFFAOYSA-N 1 2 237.303 1.149 20 0 BDADLO CCOC1CC(C[N@H+](CCO)CC(F)F)C1 ZINC000352408050 170325149 /nfs/dbraw/zinc/32/51/49/170325149.db2.gz UDAROGFCEHFTPK-UHFFFAOYSA-N 1 2 237.290 1.361 20 0 BDADLO CCOC1CC(C[N@@H+](CCO)CC(F)F)C1 ZINC000352408050 170325151 /nfs/dbraw/zinc/32/51/51/170325151.db2.gz UDAROGFCEHFTPK-UHFFFAOYSA-N 1 2 237.290 1.361 20 0 BDADLO CCOC1CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000294123678 170336679 /nfs/dbraw/zinc/33/66/79/170336679.db2.gz PSTVWSKFWOUMMF-UHFFFAOYSA-N 1 2 247.342 1.889 20 0 BDADLO CCOC1C[NH+](Cc2cccc3c2OCO3)C1 ZINC000297326520 170337251 /nfs/dbraw/zinc/33/72/51/170337251.db2.gz DBJUVCQBTOPFBR-UHFFFAOYSA-N 1 2 235.283 1.636 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC1(C)C ZINC000660375372 411574863 /nfs/dbraw/zinc/57/48/63/411574863.db2.gz AVNUOFKYFOTCAC-VIFPVBQESA-N 1 2 222.292 1.350 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC1(C)C ZINC000660375372 411574864 /nfs/dbraw/zinc/57/48/64/411574864.db2.gz AVNUOFKYFOTCAC-VIFPVBQESA-N 1 2 222.292 1.350 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@H](C)[C@@H](C)O1 ZINC000660375786 411574866 /nfs/dbraw/zinc/57/48/66/411574866.db2.gz YEODHBRFUBIJRU-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@H](C)[C@@H](C)O1 ZINC000660375786 411574867 /nfs/dbraw/zinc/57/48/67/411574867.db2.gz YEODHBRFUBIJRU-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(C)o1 ZINC000660321406 411568752 /nfs/dbraw/zinc/56/87/52/411568752.db2.gz GCWQCXJZAAOFKS-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@@H](C3CC3)C2)c(C)o1 ZINC000660321406 411568753 /nfs/dbraw/zinc/56/87/53/411568753.db2.gz GCWQCXJZAAOFKS-CYBMUJFWSA-N 1 2 236.315 1.902 20 0 BDADLO CCOCC[N@H+](C)Cc1c(Cl)cnn1C ZINC000188321045 170390332 /nfs/dbraw/zinc/39/03/32/170390332.db2.gz AGHCNCLNWDNEAA-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCOCC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000188321045 170390333 /nfs/dbraw/zinc/39/03/33/170390333.db2.gz AGHCNCLNWDNEAA-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCN1CC[C@@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000660776497 411626187 /nfs/dbraw/zinc/62/61/87/411626187.db2.gz FQUADXLXCKJGOK-CYBMUJFWSA-N 1 2 248.301 1.762 20 0 BDADLO CCN1CC[C@@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000660776497 411626192 /nfs/dbraw/zinc/62/61/92/411626192.db2.gz FQUADXLXCKJGOK-CYBMUJFWSA-N 1 2 248.301 1.762 20 0 BDADLO COC(C)(C)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845573 411629467 /nfs/dbraw/zinc/62/94/67/411629467.db2.gz RRDWNYZVRCHJGA-UHFFFAOYSA-N 1 2 229.280 1.022 20 0 BDADLO COC(C)(C)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660845573 411629470 /nfs/dbraw/zinc/62/94/70/411629470.db2.gz RRDWNYZVRCHJGA-UHFFFAOYSA-N 1 2 229.280 1.022 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n[nH]1 ZINC000629949418 411630078 /nfs/dbraw/zinc/63/00/78/411630078.db2.gz GKFVWJJLUNVEQB-SSDOTTSWSA-N 1 2 233.275 1.259 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000629949418 411630083 /nfs/dbraw/zinc/63/00/83/411630083.db2.gz GKFVWJJLUNVEQB-SSDOTTSWSA-N 1 2 233.275 1.259 20 0 BDADLO COc1ccnc(C[NH2+]Cc2cn[nH]c2)c1F ZINC000657672582 411576088 /nfs/dbraw/zinc/57/60/88/411576088.db2.gz FQIMHBADSCUDMJ-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cc(OC)no2)CCO1 ZINC000660381826 411576930 /nfs/dbraw/zinc/57/69/30/411576930.db2.gz XVPVWFKPOHHBRW-LBPRGKRZSA-N 1 2 240.303 1.684 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cc(OC)no2)CCO1 ZINC000660381826 411576932 /nfs/dbraw/zinc/57/69/32/411576932.db2.gz XVPVWFKPOHHBRW-LBPRGKRZSA-N 1 2 240.303 1.684 20 0 BDADLO O[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC(F)(F)C1 ZINC000660393590 411578360 /nfs/dbraw/zinc/57/83/60/411578360.db2.gz ZLCXMOJMEDMBLI-LMLFDSFASA-N 1 2 231.286 1.734 20 0 BDADLO O[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC(F)(F)C1 ZINC000660393590 411578361 /nfs/dbraw/zinc/57/83/61/411578361.db2.gz ZLCXMOJMEDMBLI-LMLFDSFASA-N 1 2 231.286 1.734 20 0 BDADLO O[C@H]1C[N@H+](CCC2CCC2)CC(F)(F)C1 ZINC000660392246 411578731 /nfs/dbraw/zinc/57/87/31/411578731.db2.gz XYAOUYUGTKFQLD-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1C[N@@H+](CCC2CCC2)CC(F)(F)C1 ZINC000660392246 411578733 /nfs/dbraw/zinc/57/87/33/411578733.db2.gz XYAOUYUGTKFQLD-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@@H]1OC ZINC000660409074 411580513 /nfs/dbraw/zinc/58/05/13/411580513.db2.gz STXMHTIVRVMNJF-TXEJJXNPSA-N 1 2 240.303 1.137 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@@H]1OC ZINC000660409074 411580514 /nfs/dbraw/zinc/58/05/14/411580514.db2.gz STXMHTIVRVMNJF-TXEJJXNPSA-N 1 2 240.303 1.137 20 0 BDADLO C[C@@H]1CSCC[N@H+](CCc2cnn[nH]2)C1 ZINC000660406717 411580978 /nfs/dbraw/zinc/58/09/78/411580978.db2.gz HZYCDYCXRBKOCR-VIFPVBQESA-N 1 2 226.349 1.032 20 0 BDADLO C[C@@H]1CSCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000660406717 411580979 /nfs/dbraw/zinc/58/09/79/411580979.db2.gz HZYCDYCXRBKOCR-VIFPVBQESA-N 1 2 226.349 1.032 20 0 BDADLO C[C@H]1CC[N@H+](CC2CC=CC2)CCS1(=O)=O ZINC000660416596 411581857 /nfs/dbraw/zinc/58/18/57/411581857.db2.gz UCEPDKKKOPDXTJ-NSHDSACASA-N 1 2 243.372 1.462 20 0 BDADLO C[C@H]1CC[N@@H+](CC2CC=CC2)CCS1(=O)=O ZINC000660416596 411581859 /nfs/dbraw/zinc/58/18/59/411581859.db2.gz UCEPDKKKOPDXTJ-NSHDSACASA-N 1 2 243.372 1.462 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)nc(C)n1 ZINC000660422344 411582825 /nfs/dbraw/zinc/58/28/25/411582825.db2.gz DGEPMZHHZVZGMC-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)nc(C)n1 ZINC000660422344 411582826 /nfs/dbraw/zinc/58/28/26/411582826.db2.gz DGEPMZHHZVZGMC-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657703054 411583265 /nfs/dbraw/zinc/58/32/65/411583265.db2.gz LCWXLWGBKMYACH-GHMZBOCLSA-N 1 2 221.304 1.111 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)[nH]1 ZINC000660443795 411585556 /nfs/dbraw/zinc/58/55/56/411585556.db2.gz AERFXLQZLSZJEY-HRDYMLBCSA-N 1 2 208.309 1.911 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)[nH]1 ZINC000660443795 411585557 /nfs/dbraw/zinc/58/55/57/411585557.db2.gz AERFXLQZLSZJEY-HRDYMLBCSA-N 1 2 208.309 1.911 20 0 BDADLO OC1(C[NH2+]Cc2ccn[nH]2)CCC(F)(F)CC1 ZINC000657777411 411594551 /nfs/dbraw/zinc/59/45/51/411594551.db2.gz ZZLQCEJJNDURQU-UHFFFAOYSA-N 1 2 245.273 1.440 20 0 BDADLO C[C@H](NCc1cc2n(n1)CCC2)c1[nH+]ccn1C ZINC000657793274 411598642 /nfs/dbraw/zinc/59/86/42/411598642.db2.gz JJVAYDPEWWALHW-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1nccn1C ZINC000657793274 411598643 /nfs/dbraw/zinc/59/86/43/411598643.db2.gz JJVAYDPEWWALHW-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO Cc1cc(CN[C@H](C)c2[nH+]ccn2C)nn1C ZINC000657794576 411599443 /nfs/dbraw/zinc/59/94/43/411599443.db2.gz XKJBJQMPVSUVPJ-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nccn2C)nn1C ZINC000657794576 411599444 /nfs/dbraw/zinc/59/94/44/411599444.db2.gz XKJBJQMPVSUVPJ-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO CCn1cncc1C[NH2+][C@H](C)c1nccn1C ZINC000657794140 411599957 /nfs/dbraw/zinc/59/99/57/411599957.db2.gz UJAJDULYROQBNG-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CCN1OC[C@H]([N@@H+]2CCC(F)(F)[C@H](C)C2)C1=O ZINC000660566099 411601257 /nfs/dbraw/zinc/60/12/57/411601257.db2.gz MTYBPRUWECSRRN-BDAKNGLRSA-N 1 2 248.273 1.126 20 0 BDADLO CCN1OC[C@H]([N@H+]2CCC(F)(F)[C@H](C)C2)C1=O ZINC000660566099 411601258 /nfs/dbraw/zinc/60/12/58/411601258.db2.gz MTYBPRUWECSRRN-BDAKNGLRSA-N 1 2 248.273 1.126 20 0 BDADLO FC(F)(F)[C@H]1CCN1CCn1cc[nH+]c1 ZINC000660571037 411601923 /nfs/dbraw/zinc/60/19/23/411601923.db2.gz KHTMHYRAESVZGN-MRVPVSSYSA-N 1 2 219.210 1.520 20 0 BDADLO Cn1cc[nH+]c1CN1CC[C@@H]1C(F)(F)F ZINC000660569361 411601976 /nfs/dbraw/zinc/60/19/76/411601976.db2.gz FVGFHXWVAULJBO-SSDOTTSWSA-N 1 2 219.210 1.557 20 0 BDADLO CC1(C2CC2)CC[NH+](CCc2cnn[nH]2)CC1 ZINC000660574080 411602262 /nfs/dbraw/zinc/60/22/62/411602262.db2.gz KCWBEVWRXOAQNB-UHFFFAOYSA-N 1 2 234.347 1.859 20 0 BDADLO CC(C)CCOCCN1CCn2c[nH+]cc2C1 ZINC000660580914 411602667 /nfs/dbraw/zinc/60/26/67/411602667.db2.gz VYHAZUKUYJWHNC-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)CCOCC[N@@H+]1CCn2cncc2C1 ZINC000660580914 411602669 /nfs/dbraw/zinc/60/26/69/411602669.db2.gz VYHAZUKUYJWHNC-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)CCOCC[N@H+]1CCn2cncc2C1 ZINC000660580914 411602671 /nfs/dbraw/zinc/60/26/71/411602671.db2.gz VYHAZUKUYJWHNC-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+]1CCn2cncc2C1 ZINC000660582049 411603250 /nfs/dbraw/zinc/60/32/50/411603250.db2.gz NTIZQCCYJSIVLW-ZDUSSCGKSA-N 1 2 237.347 1.496 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+]1CCn2cncc2C1 ZINC000660582049 411603251 /nfs/dbraw/zinc/60/32/51/411603251.db2.gz NTIZQCCYJSIVLW-ZDUSSCGKSA-N 1 2 237.347 1.496 20 0 BDADLO CC(C)CC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660582049 411603252 /nfs/dbraw/zinc/60/32/52/411603252.db2.gz NTIZQCCYJSIVLW-ZDUSSCGKSA-N 1 2 237.347 1.496 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCn2cncc2C1 ZINC000660583808 411603672 /nfs/dbraw/zinc/60/36/72/411603672.db2.gz MMHGGRMXIBLAIQ-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cnccc1C[N@H+]1CCn2cncc2C1 ZINC000660583808 411603674 /nfs/dbraw/zinc/60/36/74/411603674.db2.gz MMHGGRMXIBLAIQ-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Cc1cnc([C@@H](C)N2CCn3c[nH+]cc3C2)cn1 ZINC000660582963 411603845 /nfs/dbraw/zinc/60/38/45/411603845.db2.gz CJCUJGPBWGIKJK-LLVKDONJSA-N 1 2 243.314 1.558 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000660648220 411612782 /nfs/dbraw/zinc/61/27/82/411612782.db2.gz WTYOUPLEJDDKNH-CQSZACIVSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000660648220 411612783 /nfs/dbraw/zinc/61/27/83/411612783.db2.gz WTYOUPLEJDDKNH-CQSZACIVSA-N 1 2 249.358 1.811 20 0 BDADLO CCNC(=O)C(C)(C)[NH2+]Cc1nc(C)oc1C ZINC000660767802 411622615 /nfs/dbraw/zinc/62/26/15/411622615.db2.gz WRKVOZNAFDDORH-UHFFFAOYSA-N 1 2 239.319 1.296 20 0 BDADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843999 411654382 /nfs/dbraw/zinc/65/43/82/411654382.db2.gz KNWGGTMYKUILCX-SECBINFHSA-N 1 2 243.307 1.268 20 0 BDADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660843999 411654384 /nfs/dbraw/zinc/65/43/84/411654384.db2.gz KNWGGTMYKUILCX-SECBINFHSA-N 1 2 243.307 1.268 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)[C@H]1C=CCCC1 ZINC000660847812 411656400 /nfs/dbraw/zinc/65/64/00/411656400.db2.gz CTZAQWZJURSQJV-QMMMGPOBSA-N 1 2 209.249 1.316 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@H]1C=CCCC1 ZINC000660847812 411656402 /nfs/dbraw/zinc/65/64/02/411656402.db2.gz CTZAQWZJURSQJV-QMMMGPOBSA-N 1 2 209.249 1.316 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)cn2)CC2(CCC2)O1 ZINC000660904608 411666917 /nfs/dbraw/zinc/66/69/17/411666917.db2.gz OBIRERUTQCJBKO-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)cn2)CC2(CCC2)O1 ZINC000660904608 411666919 /nfs/dbraw/zinc/66/69/19/411666919.db2.gz OBIRERUTQCJBKO-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@H](CC)CO1 ZINC000660912615 411668582 /nfs/dbraw/zinc/66/85/82/411668582.db2.gz LFYQXWRPJVHXPA-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@H](CC)CO1 ZINC000660912615 411668585 /nfs/dbraw/zinc/66/85/85/411668585.db2.gz LFYQXWRPJVHXPA-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO COC[C@@H](C[N@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000660926228 411677342 /nfs/dbraw/zinc/67/73/42/411677342.db2.gz KVMGYVUEQOMQSK-WCBMZHEXSA-N 1 2 243.307 1.032 20 0 BDADLO COC[C@@H](C[N@@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000660926228 411677345 /nfs/dbraw/zinc/67/73/45/411677345.db2.gz KVMGYVUEQOMQSK-WCBMZHEXSA-N 1 2 243.307 1.032 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H](O)C(F)F ZINC000631459203 411678962 /nfs/dbraw/zinc/67/89/62/411678962.db2.gz BFKCITIUKKCRMT-ZETCQYMHSA-N 1 2 247.245 1.222 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000660962408 411687258 /nfs/dbraw/zinc/68/72/58/411687258.db2.gz MYRWOAHKCFTZJP-PSASIEDQSA-N 1 2 215.256 1.929 20 0 BDADLO CCc1noc(C)c1CN(C)Cc1c[nH+]c[nH]1 ZINC000661086257 411697479 /nfs/dbraw/zinc/69/74/79/411697479.db2.gz VYTCVHAHZCGROE-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO COCC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399534 411769015 /nfs/dbraw/zinc/76/90/15/411769015.db2.gz KGDAJULBYCONPZ-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661399534 411769018 /nfs/dbraw/zinc/76/90/18/411769018.db2.gz KGDAJULBYCONPZ-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000661412671 411770764 /nfs/dbraw/zinc/77/07/64/411770764.db2.gz HWICEMPUUQJAIM-UWVGGRQHSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000661412671 411770767 /nfs/dbraw/zinc/77/07/67/411770767.db2.gz HWICEMPUUQJAIM-UWVGGRQHSA-N 1 2 235.274 1.113 20 0 BDADLO O[C@H]1CC[N@H+](CCC2CCOCC2)CC1(F)F ZINC000661413333 411770983 /nfs/dbraw/zinc/77/09/83/411770983.db2.gz MTSBNONHBHAPAB-NSHDSACASA-N 1 2 249.301 1.505 20 0 BDADLO O[C@H]1CC[N@@H+](CCC2CCOCC2)CC1(F)F ZINC000661413333 411770984 /nfs/dbraw/zinc/77/09/84/411770984.db2.gz MTSBNONHBHAPAB-NSHDSACASA-N 1 2 249.301 1.505 20 0 BDADLO Cc1nc2[nH]ccc2c(N2Cc3c[nH]nc3C2)[nH+]1 ZINC000663927613 411779149 /nfs/dbraw/zinc/77/91/49/411779149.db2.gz AQMGBXMDFWWVJV-UHFFFAOYSA-N 1 2 240.270 1.510 20 0 BDADLO C[C@H]1COC2(CCC2)CN1Cc1[nH+]ccn1C ZINC000661463476 411779696 /nfs/dbraw/zinc/77/96/96/411779696.db2.gz QNOJNOFOHSQORZ-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1nccn1C ZINC000661463476 411779697 /nfs/dbraw/zinc/77/96/97/411779697.db2.gz QNOJNOFOHSQORZ-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1nccn1C ZINC000661463476 411779702 /nfs/dbraw/zinc/77/97/02/411779702.db2.gz QNOJNOFOHSQORZ-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1[C@@H](C)CN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000663946371 411786559 /nfs/dbraw/zinc/78/65/59/411786559.db2.gz KHULNJDPUYMEDU-VHSXEESVSA-N 1 2 229.287 1.507 20 0 BDADLO C[C@@]12COC[C@]1(C)C[N@@H+](CC(F)F)C2 ZINC000661492500 411786979 /nfs/dbraw/zinc/78/69/79/411786979.db2.gz PRSVUOVNPVVWLI-AOOOYVTPSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@@]12COC[C@]1(C)C[N@H+](CC(F)F)C2 ZINC000661492500 411786986 /nfs/dbraw/zinc/78/69/86/411786986.db2.gz PRSVUOVNPVVWLI-AOOOYVTPSA-N 1 2 205.248 1.610 20 0 BDADLO CCc1nsc(NCc2ccc[nH+]c2N)n1 ZINC000663961545 411791059 /nfs/dbraw/zinc/79/10/59/411791059.db2.gz FZJLZIQKZDQUHP-UHFFFAOYSA-N 1 2 235.316 1.690 20 0 BDADLO C[C@@]1(C2CC2)C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000661170405 411726473 /nfs/dbraw/zinc/72/64/73/411726473.db2.gz GQPLUUIUGAGXHO-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO C[C@@]1(C2CC2)C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000661170405 411726475 /nfs/dbraw/zinc/72/64/75/411726475.db2.gz GQPLUUIUGAGXHO-LBPRGKRZSA-N 1 2 221.304 1.411 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661169094 411727123 /nfs/dbraw/zinc/72/71/23/411727123.db2.gz SYNQJDZRIHMBDW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661169094 411727126 /nfs/dbraw/zinc/72/71/26/411727126.db2.gz SYNQJDZRIHMBDW-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO CCOCCC[N@H+](C)Cc1nnc(C)o1 ZINC000661530869 411795780 /nfs/dbraw/zinc/79/57/80/411795780.db2.gz ZAVQBTZUNJIAFR-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCOCCC[N@@H+](C)Cc1nnc(C)o1 ZINC000661530869 411795786 /nfs/dbraw/zinc/79/57/86/411795786.db2.gz ZAVQBTZUNJIAFR-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCN(CC)C(=O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661553319 411801386 /nfs/dbraw/zinc/80/13/86/411801386.db2.gz IEGQPNORBKGMQA-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1nnc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000661578313 411806925 /nfs/dbraw/zinc/80/69/25/411806925.db2.gz KMYXRMSNJVBYNC-LBPRGKRZSA-N 1 2 249.362 1.612 20 0 BDADLO Cn1nnc(C[N@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000661578313 411806930 /nfs/dbraw/zinc/80/69/30/411806930.db2.gz KMYXRMSNJVBYNC-LBPRGKRZSA-N 1 2 249.362 1.612 20 0 BDADLO CCn1ccc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000618042637 411807819 /nfs/dbraw/zinc/80/78/19/411807819.db2.gz DOSBLNWZBWFPSZ-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO Cc1[nH+]c2cc(OCCCO)ccc2n1C ZINC000664046768 411827475 /nfs/dbraw/zinc/82/74/75/411827475.db2.gz OZPBHEHSDGHRJM-UHFFFAOYSA-N 1 2 220.272 1.643 20 0 BDADLO Cc1ccc(SC[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000664052108 411831668 /nfs/dbraw/zinc/83/16/68/411831668.db2.gz ZNKMPYMIDFJOBL-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO Cc1ccc(SC[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000664052108 411831672 /nfs/dbraw/zinc/83/16/72/411831672.db2.gz ZNKMPYMIDFJOBL-JTQLQIEISA-N 1 2 239.344 1.208 20 0 BDADLO CO[C@H]1CCCC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631264757 411899705 /nfs/dbraw/zinc/89/97/05/411899705.db2.gz OCCRDEYGAKPSAN-IUCAKERBSA-N 1 2 237.307 1.132 20 0 BDADLO CO[C@H]1CCCC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631264757 411899707 /nfs/dbraw/zinc/89/97/07/411899707.db2.gz OCCRDEYGAKPSAN-IUCAKERBSA-N 1 2 237.307 1.132 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)no1 ZINC000661852721 411903187 /nfs/dbraw/zinc/90/31/87/411903187.db2.gz FEFNKZGFGNBIKT-UTLUCORTSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)no1 ZINC000661852721 411903191 /nfs/dbraw/zinc/90/31/91/411903191.db2.gz FEFNKZGFGNBIKT-UTLUCORTSA-N 1 2 239.319 1.938 20 0 BDADLO CCO[C@H]1C[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000664281685 411912545 /nfs/dbraw/zinc/91/25/45/411912545.db2.gz UAPIJGXFMRXVIN-MGCOHNPYSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nnc(C[NH+]2CCC3(CCCC3=O)CC2)[nH]1 ZINC000661959709 411920993 /nfs/dbraw/zinc/92/09/93/411920993.db2.gz FUARKQCBQZKJRW-UHFFFAOYSA-N 1 2 248.330 1.448 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)nc[nH+]1 ZINC000664348543 411928386 /nfs/dbraw/zinc/92/83/86/411928386.db2.gz RLWNWWUUMDZPDF-GDGBQDQQSA-N 1 2 221.304 1.238 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H](C)C1O ZINC000664353678 411929831 /nfs/dbraw/zinc/92/98/31/411929831.db2.gz QOGBCTBLSRKYNH-NXEZZACHSA-N 1 2 206.289 1.535 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC1=CCCOC1 ZINC000664365333 411931051 /nfs/dbraw/zinc/93/10/51/411931051.db2.gz KIMKRYNISNOEAH-UHFFFAOYSA-N 1 2 249.314 1.577 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC(C)(C)F)[nH+]1 ZINC000664371504 411932637 /nfs/dbraw/zinc/93/26/37/411932637.db2.gz UGUDRSNSZQLWBZ-UHFFFAOYSA-N 1 2 241.314 1.796 20 0 BDADLO Cc1nc(NCCC(C)(C)F)nc(N(C)C)[nH+]1 ZINC000664371504 411932639 /nfs/dbraw/zinc/93/26/39/411932639.db2.gz UGUDRSNSZQLWBZ-UHFFFAOYSA-N 1 2 241.314 1.796 20 0 BDADLO OC[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CCC1 ZINC000664173008 411880274 /nfs/dbraw/zinc/88/02/74/411880274.db2.gz ZHEXFJRYLFGILG-NSHDSACASA-N 1 2 233.315 1.927 20 0 BDADLO Cc1cc(N2CCO[C@](C)(C3CC3)C2)nc[nH+]1 ZINC000664177726 411882031 /nfs/dbraw/zinc/88/20/31/411882031.db2.gz MCDCRLLTLSBINE-ZDUSSCGKSA-N 1 2 233.315 1.790 20 0 BDADLO Cc1nnc(C[NH+]2CCC(c3ccon3)CC2)o1 ZINC000662045540 411963952 /nfs/dbraw/zinc/96/39/52/411963952.db2.gz YKWLGXPEYGRUDW-UHFFFAOYSA-N 1 2 248.286 1.746 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](O)C23CCC3)nc[nH+]1 ZINC000664465616 411966572 /nfs/dbraw/zinc/96/65/72/411966572.db2.gz PICVRMOWMZVTMU-VHSXEESVSA-N 1 2 219.288 1.500 20 0 BDADLO Cc1cncc(CCNc2cc[nH+]c(C)n2)n1 ZINC000664488547 411972203 /nfs/dbraw/zinc/97/22/03/411972203.db2.gz VNWXBKZOLFTHTG-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662082118 411979827 /nfs/dbraw/zinc/97/98/27/411979827.db2.gz ZVEHJCPDNMAFKZ-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO CCCc1noc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662082118 411979829 /nfs/dbraw/zinc/97/98/29/411979829.db2.gz ZVEHJCPDNMAFKZ-UHFFFAOYSA-N 1 2 237.303 1.244 20 0 BDADLO CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000662115278 411988037 /nfs/dbraw/zinc/98/80/37/411988037.db2.gz YCLFNBRUGKFDBF-SECBINFHSA-N 1 2 234.290 1.488 20 0 BDADLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000662115278 411988042 /nfs/dbraw/zinc/98/80/42/411988042.db2.gz YCLFNBRUGKFDBF-SECBINFHSA-N 1 2 234.290 1.488 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC2(COC2)C1 ZINC000664570914 411989568 /nfs/dbraw/zinc/98/95/68/411989568.db2.gz FZMURDFRXLRWGF-UHFFFAOYSA-N 1 2 235.287 1.020 20 0 BDADLO Cc1cncc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000662120622 411992027 /nfs/dbraw/zinc/99/20/27/411992027.db2.gz HHPXFDMQJLISSV-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cncc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000662120622 411992030 /nfs/dbraw/zinc/99/20/30/411992030.db2.gz HHPXFDMQJLISSV-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@]1(C)CO ZINC000664595695 411994364 /nfs/dbraw/zinc/99/43/64/411994364.db2.gz PSLFCGBKNZDWMS-YGRLFVJLSA-N 1 2 247.342 1.809 20 0 BDADLO COc1ccnc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000664608557 411998408 /nfs/dbraw/zinc/99/84/08/411998408.db2.gz GZWMKWFZRIFUJP-MRVPVSSYSA-N 1 2 233.275 1.392 20 0 BDADLO C[C@]1(C(F)F)CN(c2cccc[nH+]2)CCO1 ZINC000664688364 412010070 /nfs/dbraw/zinc/01/00/70/412010070.db2.gz ONIFLEBSYZZEFU-LLVKDONJSA-N 1 2 228.242 1.942 20 0 BDADLO Cc1nc(N2C[C@H]3COC[C@@]3(C)C2)cc[nH+]1 ZINC000664415989 411948340 /nfs/dbraw/zinc/94/83/40/411948340.db2.gz BHHBUUODIBRXOF-CMPLNLGQSA-N 1 2 219.288 1.258 20 0 BDADLO Cc1nc(N2CCCC3(CC3)C2)nc(N)[nH+]1 ZINC000631214609 411960557 /nfs/dbraw/zinc/96/05/57/411960557.db2.gz ZEJHORBNUDXLBG-UHFFFAOYSA-N 1 2 219.292 1.143 20 0 BDADLO Cc1nc(N)nc(N2CCCC3(CC3)C2)[nH+]1 ZINC000631214609 411960560 /nfs/dbraw/zinc/96/05/60/411960560.db2.gz ZEJHORBNUDXLBG-UHFFFAOYSA-N 1 2 219.292 1.143 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662043837 411960908 /nfs/dbraw/zinc/96/09/08/411960908.db2.gz MKMCOBISEUKEMT-LLVKDONJSA-N 1 2 220.320 1.817 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662043837 411960911 /nfs/dbraw/zinc/96/09/11/411960911.db2.gz MKMCOBISEUKEMT-LLVKDONJSA-N 1 2 220.320 1.817 20 0 BDADLO C[C@@H](NC(=O)N1CCCC1)c1[nH+]ccn1C ZINC000664455316 411962721 /nfs/dbraw/zinc/96/27/21/411962721.db2.gz XZJQORGVQYZMFR-SECBINFHSA-N 1 2 222.292 1.287 20 0 BDADLO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)[C@@H]1c1cccnc1 ZINC000664825979 412026552 /nfs/dbraw/zinc/02/65/52/412026552.db2.gz NERZQOMNUCFZHM-VXGBXAGGSA-N 1 2 245.326 1.353 20 0 BDADLO CC1(C)C[N@H+]([C@@H]2CCNC2=O)[C@@H]1c1cccnc1 ZINC000664825979 412026555 /nfs/dbraw/zinc/02/65/55/412026555.db2.gz NERZQOMNUCFZHM-VXGBXAGGSA-N 1 2 245.326 1.353 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831381 412028705 /nfs/dbraw/zinc/02/87/05/412028705.db2.gz CXNGSMHEFASFCB-KOLCDFICSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831381 412028707 /nfs/dbraw/zinc/02/87/07/412028707.db2.gz CXNGSMHEFASFCB-KOLCDFICSA-N 1 2 233.315 1.338 20 0 BDADLO FCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230280 412031900 /nfs/dbraw/zinc/03/19/00/412031900.db2.gz VSSZYXCUWLRROQ-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO FCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230280 412031903 /nfs/dbraw/zinc/03/19/03/412031903.db2.gz VSSZYXCUWLRROQ-QMMMGPOBSA-N 1 2 229.217 1.999 20 0 BDADLO FC(F)(F)C[C@@H]1C[N@@H+]([C@@H]2CCOC2)CCO1 ZINC000662228262 412033056 /nfs/dbraw/zinc/03/30/56/412033056.db2.gz WOMIMPYTKLZNLR-RKDXNWHRSA-N 1 2 239.237 1.429 20 0 BDADLO FC(F)(F)C[C@@H]1C[N@H+]([C@@H]2CCOC2)CCO1 ZINC000662228262 412033060 /nfs/dbraw/zinc/03/30/60/412033060.db2.gz WOMIMPYTKLZNLR-RKDXNWHRSA-N 1 2 239.237 1.429 20 0 BDADLO Cc1nnc(CN(C)Cc2cn(C)c[nH+]2)s1 ZINC000662257173 412051324 /nfs/dbraw/zinc/05/13/24/412051324.db2.gz QNBXNACHPDLAPZ-UHFFFAOYSA-N 1 2 237.332 1.212 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)s1 ZINC000662257101 412051400 /nfs/dbraw/zinc/05/14/00/412051400.db2.gz PXNIPVAGEJGHFV-DTORHVGOSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)s1 ZINC000662257101 412051402 /nfs/dbraw/zinc/05/14/02/412051402.db2.gz PXNIPVAGEJGHFV-DTORHVGOSA-N 1 2 227.333 1.049 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)NCc2[nH]c[nH+]c2C)O1 ZINC000268097701 171030776 /nfs/dbraw/zinc/03/07/76/171030776.db2.gz MLJRLUOXGYSLQY-KOLCDFICSA-N 1 2 237.303 1.292 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H](C)O1 ZINC000292547155 171088961 /nfs/dbraw/zinc/08/89/61/171088961.db2.gz QLSMIBNCUXJYLF-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H](C)O1 ZINC000292547155 171088965 /nfs/dbraw/zinc/08/89/65/171088965.db2.gz QLSMIBNCUXJYLF-WCQYABFASA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000332684128 171091369 /nfs/dbraw/zinc/09/13/69/171091369.db2.gz SYZXDIFHFGXBKP-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1O ZINC000332684128 171091373 /nfs/dbraw/zinc/09/13/73/171091373.db2.gz SYZXDIFHFGXBKP-RNFRBKRXSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H]1O ZINC000270544694 171098384 /nfs/dbraw/zinc/09/83/84/171098384.db2.gz DCNVROYKTQARBI-MFKMUULPSA-N 1 2 245.326 1.780 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccn(C)n1 ZINC000336283373 171106329 /nfs/dbraw/zinc/10/63/29/171106329.db2.gz GRFVAZSCPGSALU-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccn(C)n1 ZINC000336283373 171106330 /nfs/dbraw/zinc/10/63/30/171106330.db2.gz GRFVAZSCPGSALU-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ncc(C)o1 ZINC000266505752 171114503 /nfs/dbraw/zinc/11/45/03/171114503.db2.gz BSBMEUUALPOEBA-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ncc(C)o1 ZINC000266505752 171114506 /nfs/dbraw/zinc/11/45/06/171114506.db2.gz BSBMEUUALPOEBA-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000336683077 171175303 /nfs/dbraw/zinc/17/53/03/171175303.db2.gz DLTRZHHGCRIEDI-CMPLNLGQSA-N 1 2 229.320 1.487 20 0 BDADLO CC[C@@](C)([NH2+]CCOCC(C)C)C(=O)OC ZINC000336721915 171176550 /nfs/dbraw/zinc/17/65/50/171176550.db2.gz DQEDYYHGUHXQAO-GFCCVEGCSA-N 1 2 231.336 1.590 20 0 BDADLO CC[C@@](C)(OC)C(=O)NCCCn1cc[nH+]c1 ZINC000281294752 171188995 /nfs/dbraw/zinc/18/89/95/171188995.db2.gz YIBIUABAPDKAQG-GFCCVEGCSA-N 1 2 239.319 1.205 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC000044623164 171236174 /nfs/dbraw/zinc/23/61/74/171236174.db2.gz MVZUDJTXXFIUDZ-SNVBAGLBSA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC000044623164 171236175 /nfs/dbraw/zinc/23/61/75/171236175.db2.gz MVZUDJTXXFIUDZ-SNVBAGLBSA-N 1 2 225.292 1.068 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000371487630 171252835 /nfs/dbraw/zinc/25/28/35/171252835.db2.gz HOSRFUVBZHHJDJ-GXSJLCMTSA-N 1 2 235.331 1.669 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153074345 171252985 /nfs/dbraw/zinc/25/29/85/171252985.db2.gz KQXSVCHUFRGJFG-NWDGAFQWSA-N 1 2 247.342 1.823 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153074575 171253606 /nfs/dbraw/zinc/25/36/06/171253606.db2.gz KQXSVCHUFRGJFG-RYUDHWBXSA-N 1 2 247.342 1.823 20 0 BDADLO CC[C@H](C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000371487634 171254716 /nfs/dbraw/zinc/25/47/16/171254716.db2.gz HOSRFUVBZHHJDJ-ONGXEEELSA-N 1 2 235.331 1.669 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000375320083 171271941 /nfs/dbraw/zinc/27/19/41/171271941.db2.gz QDJMBKLJBVOOIH-RYUDHWBXSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](C)[C@@H](CNc1cc[nH+]c(C)n1)OC ZINC000362975375 171368433 /nfs/dbraw/zinc/36/84/33/171368433.db2.gz FIPQUYBGDWEOKW-GXSJLCMTSA-N 1 2 223.320 1.680 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCSC)C(=O)OC ZINC000336657783 171375081 /nfs/dbraw/zinc/37/50/81/171375081.db2.gz PVFWVNUXCKCEMT-DTWKUNHWSA-N 1 2 219.350 1.527 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355833591 171379758 /nfs/dbraw/zinc/37/97/58/171379758.db2.gz TYNRJEAGRYGAHZ-GXSJLCMTSA-N 1 2 239.319 1.429 20 0 BDADLO Cc1ccc(CO)c(-c2c[nH+]cn2C)c1 ZINC000665208244 412141799 /nfs/dbraw/zinc/14/17/99/412141799.db2.gz MJTKLAVVUYZYCD-UHFFFAOYSA-N 1 2 202.257 1.888 20 0 BDADLO Cc1cc(CNC(=O)NC/C=C/CO)cc(C)[nH+]1 ZINC000665163357 412117687 /nfs/dbraw/zinc/11/76/87/412117687.db2.gz FXGGWQSKHVLSPE-ONEGZZNKSA-N 1 2 249.314 1.046 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CC2(C)C)no1 ZINC000662346905 412118688 /nfs/dbraw/zinc/11/86/88/412118688.db2.gz FMGPVCDPLUTQNX-VIFPVBQESA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CC2(C)C)no1 ZINC000662346905 412118691 /nfs/dbraw/zinc/11/86/91/412118691.db2.gz FMGPVCDPLUTQNX-VIFPVBQESA-N 1 2 209.293 1.856 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665170786 412120335 /nfs/dbraw/zinc/12/03/35/412120335.db2.gz YHFSUVVYNWOUMW-QJPTWQEYSA-N 1 2 247.342 1.925 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C(=O)OC ZINC000308938944 171523990 /nfs/dbraw/zinc/52/39/90/171523990.db2.gz LQLVTGASQUUUFQ-RQJHMYQMSA-N 1 2 227.226 1.726 20 0 BDADLO CC[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)OC ZINC000336697761 171543254 /nfs/dbraw/zinc/54/32/54/171543254.db2.gz QDAMAUJWPZZFOW-QXEWZRGKSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@H]1CCN1C(=O)NCc1[nH+]ccn1C ZINC000291793156 171634466 /nfs/dbraw/zinc/63/44/66/171634466.db2.gz IXSMYPMEZFXBOY-VIFPVBQESA-N 1 2 222.292 1.114 20 0 BDADLO COC(=O)[C@H](C)CNc1nc[nH+]c2c1CCC2 ZINC000609111492 412336820 /nfs/dbraw/zinc/33/68/20/412336820.db2.gz KADVLMMAKBVXNX-MRVPVSSYSA-N 1 2 235.287 1.186 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CC(C)(C)C2)nn1C ZINC000514738309 412345848 /nfs/dbraw/zinc/34/58/48/412345848.db2.gz OLDXAWWDSCATNI-UHFFFAOYSA-N 1 2 236.319 1.009 20 0 BDADLO CCCCc1cc(NCc2cn(C)nn2)nc[nH+]1 ZINC000631204173 412346731 /nfs/dbraw/zinc/34/67/31/412346731.db2.gz WWMGCOTYNXOLAO-UHFFFAOYSA-N 1 2 246.318 1.560 20 0 BDADLO CCCCc1cc(NCCNC(C)=O)nc[nH+]1 ZINC000631036184 412346991 /nfs/dbraw/zinc/34/69/91/412346991.db2.gz HURUKCIUBPDWTG-UHFFFAOYSA-N 1 2 236.319 1.367 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000663164554 412391667 /nfs/dbraw/zinc/39/16/67/412391667.db2.gz DGWZLOOFRUOBML-VWYCJHECSA-N 1 2 247.342 1.986 20 0 BDADLO CCc1nc(C[NH2+][C@H](C)Cn2cccn2)no1 ZINC000264407568 171988100 /nfs/dbraw/zinc/98/81/00/171988100.db2.gz XZOUBOMJBGLYFQ-SECBINFHSA-N 1 2 235.291 1.007 20 0 BDADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCNC2=O)cs1 ZINC000179067439 172001726 /nfs/dbraw/zinc/00/17/26/172001726.db2.gz KQMAXBXXKPEDJZ-SFYZADRCSA-N 1 2 239.344 1.245 20 0 BDADLO CCc1nnc([C@H](C)[NH2+]Cc2conc2C)[nH]1 ZINC000293163415 172006416 /nfs/dbraw/zinc/00/64/16/172006416.db2.gz FTFLCZOFALHKLU-QMMMGPOBSA-N 1 2 235.291 1.514 20 0 BDADLO CCc1[nH+]c2ccccc2n1C[C@@H](O)COC ZINC000069054151 172013201 /nfs/dbraw/zinc/01/32/01/172013201.db2.gz MGLVPVGDHRLERE-SNVBAGLBSA-N 1 2 234.299 1.606 20 0 BDADLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccco1 ZINC000163190883 172038637 /nfs/dbraw/zinc/03/86/37/172038637.db2.gz ZVOPVQRAAOVIOZ-UHFFFAOYSA-N 1 2 249.314 1.874 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1ncc(C)n1C ZINC000341293462 172041574 /nfs/dbraw/zinc/04/15/74/172041574.db2.gz WHEVKCUTNGUWBF-UHFFFAOYSA-N 1 2 247.346 1.314 20 0 BDADLO CCc1nn(C)cc1CNCc1[nH+]cc(C)n1C ZINC000341293462 172041576 /nfs/dbraw/zinc/04/15/76/172041576.db2.gz WHEVKCUTNGUWBF-UHFFFAOYSA-N 1 2 247.346 1.314 20 0 BDADLO CCc1nnc(-n2cc[nH+]c2)nc1CC ZINC000097838840 172045336 /nfs/dbraw/zinc/04/53/36/172045336.db2.gz BTOCSPGDHQQVNN-UHFFFAOYSA-N 1 2 203.249 1.182 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000371099622 172050990 /nfs/dbraw/zinc/05/09/90/172050990.db2.gz LUGFLYHXGYPBTQ-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nnc(C[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000371099622 172050993 /nfs/dbraw/zinc/05/09/93/172050993.db2.gz LUGFLYHXGYPBTQ-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccnn2C)s1 ZINC000336776453 172051931 /nfs/dbraw/zinc/05/19/31/172051931.db2.gz FWLNVAIAXTZFKB-UHFFFAOYSA-N 1 2 237.332 1.124 20 0 BDADLO CCc1nnc(COc2cc[nH+]cc2)o1 ZINC000292565103 172055484 /nfs/dbraw/zinc/05/54/84/172055484.db2.gz YKFMXUMAGVMYJY-UHFFFAOYSA-N 1 2 205.217 1.606 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCO2)o1 ZINC000330672027 172066290 /nfs/dbraw/zinc/06/62/90/172066290.db2.gz FYURHNZWTAMNJV-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000330672027 172066291 /nfs/dbraw/zinc/06/62/91/172066291.db2.gz FYURHNZWTAMNJV-VHSXEESVSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000374341555 172090851 /nfs/dbraw/zinc/09/08/51/172090851.db2.gz PBKYBZXOOIEVSV-UWVGGRQHSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000374341555 172090854 /nfs/dbraw/zinc/09/08/54/172090854.db2.gz PBKYBZXOOIEVSV-UWVGGRQHSA-N 1 2 239.319 1.661 20 0 BDADLO CCc1nocc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000353491698 172097717 /nfs/dbraw/zinc/09/77/17/172097717.db2.gz KUMDWEIQDOOHDN-LBPRGKRZSA-N 1 2 242.294 1.533 20 0 BDADLO CCc1nocc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000353491698 172097720 /nfs/dbraw/zinc/09/77/20/172097720.db2.gz KUMDWEIQDOOHDN-LBPRGKRZSA-N 1 2 242.294 1.533 20 0 BDADLO CCc1nocc1C[NH2+]Cc1cc(C(N)=O)co1 ZINC000339355921 172102217 /nfs/dbraw/zinc/10/22/17/172102217.db2.gz GSHDSKYFOOAGBA-UHFFFAOYSA-N 1 2 249.270 1.219 20 0 BDADLO CCc1occc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297208650 172114928 /nfs/dbraw/zinc/11/49/28/172114928.db2.gz WPRUYVVJAAQUKV-UHFFFAOYSA-N 1 2 236.315 1.664 20 0 BDADLO CCc1oncc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000368205056 172127079 /nfs/dbraw/zinc/12/70/79/172127079.db2.gz XADDCDYRFZQHIV-UHFFFAOYSA-N 1 2 246.270 1.090 20 0 BDADLO CCn1ccc(C[NH2+][C@H](C)c2cnn(C)c2C)n1 ZINC000020350032 172201350 /nfs/dbraw/zinc/20/13/50/172201350.db2.gz PWUPUPQINPCKJR-SNVBAGLBSA-N 1 2 247.346 1.796 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000295584835 172221859 /nfs/dbraw/zinc/22/18/59/172221859.db2.gz HFPJCOBWNYIOMS-MNOVXSKESA-N 1 2 235.331 1.811 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N1CC[C@H](C)C1 ZINC000336303973 172222601 /nfs/dbraw/zinc/22/26/01/172222601.db2.gz DWYCGGLQNCAXJI-JTQLQIEISA-N 1 2 236.319 1.454 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cccnc1C ZINC000295867552 172222660 /nfs/dbraw/zinc/22/26/60/172222660.db2.gz XLORSIJWVPUMQF-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)C(C)(F)F ZINC000295555474 172222933 /nfs/dbraw/zinc/22/29/33/172222933.db2.gz MHJDRHPJKQHUPJ-MRVPVSSYSA-N 1 2 245.273 1.811 20 0 BDADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(C)=O ZINC000281712250 172229202 /nfs/dbraw/zinc/22/92/02/172229202.db2.gz HVNSGWYFTCPYLR-NSHDSACASA-N 1 2 221.304 1.977 20 0 BDADLO CCn1nc(C)c(CNc2cc[nH+]cc2F)n1 ZINC000296039869 172247237 /nfs/dbraw/zinc/24/72/37/172247237.db2.gz QOOFZNKHFRASDB-UHFFFAOYSA-N 1 2 235.266 1.753 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cnccn1 ZINC000179659478 172263796 /nfs/dbraw/zinc/26/37/96/172263796.db2.gz QCUVKIBBDCAXLO-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cnccn1 ZINC000179659478 172263799 /nfs/dbraw/zinc/26/37/99/172263799.db2.gz QCUVKIBBDCAXLO-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO CCn1nccc1C[N@@H+]1CCOC[C@]1(C)CC ZINC000361166871 172267030 /nfs/dbraw/zinc/26/70/30/172267030.db2.gz OOZAQNFVMLULAE-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCOC[C@]1(C)CC ZINC000361166871 172267033 /nfs/dbraw/zinc/26/70/33/172267033.db2.gz OOZAQNFVMLULAE-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000088591886 172281460 /nfs/dbraw/zinc/28/14/60/172281460.db2.gz KUAHTQWLKCWOIW-LBPRGKRZSA-N 1 2 246.314 1.121 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1cnccc1C ZINC000359067566 172282322 /nfs/dbraw/zinc/28/23/22/172282322.db2.gz JHTGKCAMKPBNGA-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO CCn1nncc1C(=O)Nc1cc[nH+]cc1C ZINC000293329527 172290664 /nfs/dbraw/zinc/29/06/64/172290664.db2.gz IFVBNRMTJDTVGO-UHFFFAOYSA-N 1 2 231.259 1.254 20 0 BDADLO CN(C(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC000172297366 172320684 /nfs/dbraw/zinc/32/06/84/172320684.db2.gz CXOIZXRITDZCJD-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000336374230 172325582 /nfs/dbraw/zinc/32/55/82/172325582.db2.gz ULWYOAOFWAIKLT-JTQLQIEISA-N 1 2 240.253 1.647 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000377198093 172365374 /nfs/dbraw/zinc/36/53/74/172365374.db2.gz SJGRXZZEESEYII-VIFPVBQESA-N 1 2 239.344 1.368 20 0 BDADLO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC000377198093 172365376 /nfs/dbraw/zinc/36/53/76/172365376.db2.gz SJGRXZZEESEYII-VIFPVBQESA-N 1 2 239.344 1.368 20 0 BDADLO CN(C)C(=O)C[NH2+]Cc1c(F)cccc1F ZINC000037207367 172370155 /nfs/dbraw/zinc/37/01/55/172370155.db2.gz WFDDXEXMSSDUSM-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO CN(C)C(=O)CSCc1cn2ccccc2[nH+]1 ZINC000341922208 172374446 /nfs/dbraw/zinc/37/44/46/172374446.db2.gz GLAMMCDWDOWQTC-UHFFFAOYSA-N 1 2 249.339 1.656 20 0 BDADLO CN(CC(F)(F)F)C(=O)CCc1[nH]cc[nH+]1 ZINC000279192620 172628863 /nfs/dbraw/zinc/62/88/63/172628863.db2.gz LOUBVADXGIAZRE-UHFFFAOYSA-N 1 2 235.209 1.363 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncccn1 ZINC000365045674 172909610 /nfs/dbraw/zinc/90/96/10/172909610.db2.gz PCDQLHMXLALUAH-UHFFFAOYSA-N 1 2 243.314 1.646 20 0 BDADLO C[NH+]1CCN(C(=O)CSCC(C)(C)C)CC1 ZINC000340707361 173066408 /nfs/dbraw/zinc/06/64/08/173066408.db2.gz SSOTWJLNOXIGPA-UHFFFAOYSA-N 1 2 244.404 1.540 20 0 BDADLO C[NH+]1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000036804723 173071780 /nfs/dbraw/zinc/07/17/80/173071780.db2.gz CZHJQQKAQRRNOQ-UHFFFAOYSA-N 1 2 239.706 1.123 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000080111015 173072167 /nfs/dbraw/zinc/07/21/67/173072167.db2.gz JSMUZHUEYWGMTF-UHFFFAOYSA-N 1 2 239.706 1.123 20 0 BDADLO CN1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC1=O ZINC000177796391 173091933 /nfs/dbraw/zinc/09/19/33/173091933.db2.gz CYLNJFKUIPISTC-CYBMUJFWSA-N 1 2 248.301 1.587 20 0 BDADLO CN1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)CC1=O ZINC000177796391 173091937 /nfs/dbraw/zinc/09/19/37/173091937.db2.gz CYLNJFKUIPISTC-CYBMUJFWSA-N 1 2 248.301 1.587 20 0 BDADLO C[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301661182 173096426 /nfs/dbraw/zinc/09/64/26/173096426.db2.gz MQLVNYOUTFZDBV-UHFFFAOYSA-N 1 2 224.333 1.167 20 0 BDADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccsc2)C1 ZINC000081412027 173099652 /nfs/dbraw/zinc/09/96/52/173099652.db2.gz IGRLAHHRBKXWDA-SECBINFHSA-N 1 2 226.301 1.017 20 0 BDADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccsc2)C1 ZINC000081412027 173099651 /nfs/dbraw/zinc/09/96/51/173099651.db2.gz IGRLAHHRBKXWDA-SECBINFHSA-N 1 2 226.301 1.017 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(C3CCCC3)no2)C1 ZINC000333692362 173108951 /nfs/dbraw/zinc/10/89/51/173108951.db2.gz CPGUNDZMKGOEGH-JTQLQIEISA-N 1 2 237.303 1.730 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(C3CCCC3)no2)C1 ZINC000333692362 173108953 /nfs/dbraw/zinc/10/89/53/173108953.db2.gz CPGUNDZMKGOEGH-JTQLQIEISA-N 1 2 237.303 1.730 20 0 BDADLO C[N@@H+]1CCc2ncnc(NC3CCOCC3)c2C1 ZINC000299548995 173173431 /nfs/dbraw/zinc/17/34/31/173173431.db2.gz BRFJMQSJUCYQJM-UHFFFAOYSA-N 1 2 248.330 1.055 20 0 BDADLO C[N@H+]1CCc2ncnc(NC3CCOCC3)c2C1 ZINC000299548995 173173433 /nfs/dbraw/zinc/17/34/33/173173433.db2.gz BRFJMQSJUCYQJM-UHFFFAOYSA-N 1 2 248.330 1.055 20 0 BDADLO C[N@@H+]1CCc2ncnc(N[C@@H]3CC3(C)C)c2C1 ZINC000299645654 173175047 /nfs/dbraw/zinc/17/50/47/173175047.db2.gz WUPYAHIBYKTKNI-LLVKDONJSA-N 1 2 232.331 1.675 20 0 BDADLO C[N@H+]1CCc2ncnc(N[C@@H]3CC3(C)C)c2C1 ZINC000299645654 173175050 /nfs/dbraw/zinc/17/50/50/173175050.db2.gz WUPYAHIBYKTKNI-LLVKDONJSA-N 1 2 232.331 1.675 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000276198676 173270958 /nfs/dbraw/zinc/27/09/58/173270958.db2.gz DTPGDWUVVAPINE-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000276198676 173270960 /nfs/dbraw/zinc/27/09/60/173270960.db2.gz DTPGDWUVVAPINE-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CNC(=O)C[C@@H](C)[NH2+]c1ccc2c(c1)CCO2 ZINC000272215293 173281477 /nfs/dbraw/zinc/28/14/77/173281477.db2.gz VOCALLSLCXOIMJ-SECBINFHSA-N 1 2 234.299 1.558 20 0 BDADLO CNC(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000175988735 173285398 /nfs/dbraw/zinc/28/53/98/173285398.db2.gz NHXQVTGCNJWUFB-NSHDSACASA-N 1 2 248.330 1.100 20 0 BDADLO CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177561772 173285434 /nfs/dbraw/zinc/28/54/34/173285434.db2.gz YTLYZAOOZCFAEA-VHSXEESVSA-N 1 2 222.292 1.105 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000042560777 173295237 /nfs/dbraw/zinc/29/52/37/173295237.db2.gz QBQHZLWMLZQZOF-SSDOTTSWSA-N 1 2 244.697 1.703 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2COc3ccccc3O2)n1 ZINC000051848518 173399425 /nfs/dbraw/zinc/39/94/25/173399425.db2.gz JORSHMDVNIXMKL-JTQLQIEISA-N 1 2 247.254 1.302 20 0 BDADLO C[NH2+]Cc1noc(Cc2cccc(OC)c2)n1 ZINC000051848709 173399809 /nfs/dbraw/zinc/39/98/09/173399809.db2.gz SJBMZVNANJEORY-UHFFFAOYSA-N 1 2 233.271 1.388 20 0 BDADLO FC(F)(F)C[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000662225826 487626706 /nfs/dbraw/zinc/62/67/06/487626706.db2.gz BINFNPFZTIDYDP-SECBINFHSA-N 1 2 249.236 1.563 20 0 BDADLO FC(F)(F)C[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000662225826 487626710 /nfs/dbraw/zinc/62/67/10/487626710.db2.gz BINFNPFZTIDYDP-SECBINFHSA-N 1 2 249.236 1.563 20 0 BDADLO COC(=O)C(C)(C)CC[NH2+]Cc1cn[nH]c1C ZINC000280995326 173502075 /nfs/dbraw/zinc/50/20/75/173502075.db2.gz VLCZLJXFJAOFSH-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO COC(=O)c1cc(Cn2cc[nH+]c2)oc1C ZINC000122502251 173857783 /nfs/dbraw/zinc/85/77/83/173857783.db2.gz KIYYPUQCWQJGAU-UHFFFAOYSA-N 1 2 220.228 1.619 20 0 BDADLO COC1C[NH+](Cc2cc3cccnc3o2)C1 ZINC000334794842 174034523 /nfs/dbraw/zinc/03/45/23/174034523.db2.gz RWHBBGIZUNCVAG-UHFFFAOYSA-N 1 2 218.256 1.658 20 0 BDADLO COCC1(C)CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000354779862 174092670 /nfs/dbraw/zinc/09/26/70/174092670.db2.gz CZCFPLRYYJVNLS-UHFFFAOYSA-N 1 2 237.347 1.967 20 0 BDADLO COCC1=CC[N@H+](Cc2nnc(C)s2)CC1 ZINC000274982549 174117530 /nfs/dbraw/zinc/11/75/30/174117530.db2.gz MNKFAZZCGXCNOE-UHFFFAOYSA-N 1 2 239.344 1.625 20 0 BDADLO COCC1=CC[N@@H+](Cc2nnc(C)s2)CC1 ZINC000274982549 174117532 /nfs/dbraw/zinc/11/75/32/174117532.db2.gz MNKFAZZCGXCNOE-UHFFFAOYSA-N 1 2 239.344 1.625 20 0 BDADLO COCC1=CC[N@H+](Cc2ncc[nH]2)CC1 ZINC000185820082 174118144 /nfs/dbraw/zinc/11/81/44/174118144.db2.gz SSCDJBSQEBBSHZ-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO COCC1=CC[N@@H+](Cc2ncc[nH]2)CC1 ZINC000185820082 174118145 /nfs/dbraw/zinc/11/81/45/174118145.db2.gz SSCDJBSQEBBSHZ-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO COCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171404653 174123435 /nfs/dbraw/zinc/12/34/35/174123435.db2.gz ASJGSLGARGUMES-JTQLQIEISA-N 1 2 237.303 1.500 20 0 BDADLO COCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000353109233 174172392 /nfs/dbraw/zinc/17/23/92/174172392.db2.gz SKHKMBUVYSXFFG-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO COCCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000346139985 174196643 /nfs/dbraw/zinc/19/66/43/174196643.db2.gz SCWGXZRZPWBENB-UHFFFAOYSA-N 1 2 239.319 1.230 20 0 BDADLO COCCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000360453597 174196661 /nfs/dbraw/zinc/19/66/61/174196661.db2.gz BUSLICRBTNATPW-UHFFFAOYSA-N 1 2 246.314 1.528 20 0 BDADLO COCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110111140 174252013 /nfs/dbraw/zinc/25/20/13/174252013.db2.gz ZQOAEGFLLYMFCP-UHFFFAOYSA-N 1 2 207.277 1.802 20 0 BDADLO COCCCOCC[N@H+](C)Cc1ncc(C)o1 ZINC000091102160 174255269 /nfs/dbraw/zinc/25/52/69/174255269.db2.gz SSXNLFZQYZLZDN-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO COCCCOCC[N@@H+](C)Cc1ncc(C)o1 ZINC000091102160 174255271 /nfs/dbraw/zinc/25/52/71/174255271.db2.gz SSXNLFZQYZLZDN-UHFFFAOYSA-N 1 2 242.319 1.468 20 0 BDADLO COCCC[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000182233965 174262680 /nfs/dbraw/zinc/26/26/80/174262680.db2.gz KASOERFYPLCVJS-NSHDSACASA-N 1 2 239.319 1.062 20 0 BDADLO COCCCn1nccc1CNc1cccc[nH+]1 ZINC000282798151 174266986 /nfs/dbraw/zinc/26/69/86/174266986.db2.gz ZDGRNVBWYZHHJS-UHFFFAOYSA-N 1 2 246.314 1.927 20 0 BDADLO COCC[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000042340817 174276075 /nfs/dbraw/zinc/27/60/75/174276075.db2.gz RMCSNRJZAYFBAM-UHFFFAOYSA-N 1 2 224.304 1.392 20 0 BDADLO COCC[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000042340817 174276076 /nfs/dbraw/zinc/27/60/76/174276076.db2.gz RMCSNRJZAYFBAM-UHFFFAOYSA-N 1 2 224.304 1.392 20 0 BDADLO COCCN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372991621 174280226 /nfs/dbraw/zinc/28/02/26/174280226.db2.gz VDKNDVUOKQHZGV-UHFFFAOYSA-N 1 2 223.320 1.298 20 0 BDADLO COCC[N@H+](C)Cc1nccc(OC)c1OC ZINC000354871015 174280779 /nfs/dbraw/zinc/28/07/79/174280779.db2.gz LPJMNKDZLMAKFU-UHFFFAOYSA-N 1 2 240.303 1.177 20 0 BDADLO COCC[N@@H+](C)Cc1nccc(OC)c1OC ZINC000354871015 174280781 /nfs/dbraw/zinc/28/07/81/174280781.db2.gz LPJMNKDZLMAKFU-UHFFFAOYSA-N 1 2 240.303 1.177 20 0 BDADLO COCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000096300647 174286510 /nfs/dbraw/zinc/28/65/10/174286510.db2.gz GJSVPGPXMRINRO-UHFFFAOYSA-N 1 2 237.299 1.308 20 0 BDADLO COCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000096300647 174286511 /nfs/dbraw/zinc/28/65/11/174286511.db2.gz GJSVPGPXMRINRO-UHFFFAOYSA-N 1 2 237.299 1.308 20 0 BDADLO COCC[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000377596551 174315597 /nfs/dbraw/zinc/31/55/97/174315597.db2.gz ZAKPKOZLTDPEJL-UHFFFAOYSA-N 1 2 249.236 1.433 20 0 BDADLO COCC[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000377596551 174315598 /nfs/dbraw/zinc/31/55/98/174315598.db2.gz ZAKPKOZLTDPEJL-UHFFFAOYSA-N 1 2 249.236 1.433 20 0 BDADLO COCC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000267817387 174316561 /nfs/dbraw/zinc/31/65/61/174316561.db2.gz NYJCGPFCVVJLRV-CYBMUJFWSA-N 1 2 249.310 1.405 20 0 BDADLO COCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000267817387 174316562 /nfs/dbraw/zinc/31/65/62/174316562.db2.gz NYJCGPFCVVJLRV-CYBMUJFWSA-N 1 2 249.310 1.405 20 0 BDADLO COCCOC1C[NH+](Cc2cccc(F)c2)C1 ZINC000358789597 174344710 /nfs/dbraw/zinc/34/47/10/174344710.db2.gz HYXCAWGXTYPVBH-UHFFFAOYSA-N 1 2 239.290 1.673 20 0 BDADLO COCCO[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC000189743537 174366495 /nfs/dbraw/zinc/36/64/95/174366495.db2.gz CRFGQAMBOMYYEZ-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COCCO[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000189743537 174366497 /nfs/dbraw/zinc/36/64/97/174366497.db2.gz CRFGQAMBOMYYEZ-NSHDSACASA-N 1 2 240.303 1.220 20 0 BDADLO COCCO[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC000189706161 174366770 /nfs/dbraw/zinc/36/67/70/174366770.db2.gz MKHFNKVIQLBZTK-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COCCO[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000189706161 174366772 /nfs/dbraw/zinc/36/67/72/174366772.db2.gz MKHFNKVIQLBZTK-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000281836766 174390385 /nfs/dbraw/zinc/39/03/85/174390385.db2.gz LBEIATQHTGHINV-JTQLQIEISA-N 1 2 249.314 1.383 20 0 BDADLO COC[C@H]([NH2+][C@@H](C)c1noc(C)n1)C1CC1 ZINC000336758583 174584491 /nfs/dbraw/zinc/58/44/91/174584491.db2.gz IHNMRCKLKVHXNH-XVKPBYJWSA-N 1 2 225.292 1.454 20 0 BDADLO COCc1ccc(C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000297398881 174622312 /nfs/dbraw/zinc/62/23/12/174622312.db2.gz KEIJJNMFTLUBNE-UHFFFAOYSA-N 1 2 248.326 1.153 20 0 BDADLO CON(Cc1[nH+]ccn1C)CC1CCOCC1 ZINC000282437579 174662502 /nfs/dbraw/zinc/66/25/02/174662502.db2.gz IEXSWJRNRFISPN-UHFFFAOYSA-N 1 2 239.319 1.210 20 0 BDADLO CO[C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000266445183 174741879 /nfs/dbraw/zinc/74/18/79/174741879.db2.gz BIIQZAYBQPWOPM-MWLCHTKSSA-N 1 2 237.303 1.406 20 0 BDADLO CO[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000308791310 174807740 /nfs/dbraw/zinc/80/77/40/174807740.db2.gz HKGRPFVLGHYASV-SECBINFHSA-N 1 2 208.261 1.672 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C)[nH]2)ccn1 ZINC000340524325 175013818 /nfs/dbraw/zinc/01/38/18/175013818.db2.gz IOVPRAJRDFSXHI-MRVPVSSYSA-N 1 2 247.302 1.368 20 0 BDADLO COc1ccc(-c2nc(N)cc[nH+]2)cc1 ZINC000034183961 175040440 /nfs/dbraw/zinc/04/04/40/175040440.db2.gz OZHVMLMCXPCVHW-UHFFFAOYSA-N 1 2 201.229 1.734 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282396681 175096704 /nfs/dbraw/zinc/09/67/04/175096704.db2.gz XRCJLCXNAQTVCM-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282396681 175096706 /nfs/dbraw/zinc/09/67/06/175096706.db2.gz XRCJLCXNAQTVCM-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368783098 175100943 /nfs/dbraw/zinc/10/09/43/175100943.db2.gz IRXRGRJQOBOSAA-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000368783098 175100945 /nfs/dbraw/zinc/10/09/45/175100945.db2.gz IRXRGRJQOBOSAA-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc(C)n2C)cn1 ZINC000341126739 175108185 /nfs/dbraw/zinc/10/81/85/175108185.db2.gz MVICNGBGKCDKFW-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1ccc(CNCc2[nH+]cc(C)n2C)cn1 ZINC000341126739 175108188 /nfs/dbraw/zinc/10/81/88/175108188.db2.gz MVICNGBGKCDKFW-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1ccc([NH2+]C2CCN(C=O)CC2)cc1 ZINC000278881860 175150013 /nfs/dbraw/zinc/15/00/13/175150013.db2.gz XYHIVHZVOWGTQK-UHFFFAOYSA-N 1 2 234.299 1.728 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2cnn[nH]2)cc1 ZINC000296325860 175189060 /nfs/dbraw/zinc/18/90/60/175189060.db2.gz OSNPPZBMPGKROD-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000296325860 175189061 /nfs/dbraw/zinc/18/90/61/175189061.db2.gz OSNPPZBMPGKROD-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000296325860 175189062 /nfs/dbraw/zinc/18/90/62/175189062.db2.gz OSNPPZBMPGKROD-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccc2[nH+]c(N(C)CC(N)=O)ccc2c1 ZINC000302743953 175228963 /nfs/dbraw/zinc/22/89/63/175228963.db2.gz RJJXTJVYPOQEES-UHFFFAOYSA-N 1 2 245.282 1.165 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000264789121 175260018 /nfs/dbraw/zinc/26/00/18/175260018.db2.gz BHUCOMTTXUOEFZ-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000264789121 175260020 /nfs/dbraw/zinc/26/00/20/175260020.db2.gz BHUCOMTTXUOEFZ-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO COc1cccc(CNC(=O)c2c[nH+]c(C)[nH]2)n1 ZINC000339236902 175263047 /nfs/dbraw/zinc/26/30/47/175263047.db2.gz LFTRFFRMHLKOPO-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1cccc([C@H]2C[N@H+](CCO)CCO2)c1 ZINC000119003097 175296359 /nfs/dbraw/zinc/29/63/59/175296359.db2.gz FSACMXPDVCZPTJ-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO COc1cccc([C@H]2C[N@@H+](CCO)CCO2)c1 ZINC000119003097 175296362 /nfs/dbraw/zinc/29/63/62/175296362.db2.gz FSACMXPDVCZPTJ-CYBMUJFWSA-N 1 2 237.299 1.061 20 0 BDADLO COc1cccc2c1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000182710988 175300957 /nfs/dbraw/zinc/30/09/57/175300957.db2.gz DCAUFKTVNXBRDW-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccccc1C[N@@H+]1CCn2cncc2C1 ZINC000291588857 175327419 /nfs/dbraw/zinc/32/74/19/175327419.db2.gz PQIOCSGOVONFSN-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO COc1ccccc1C[N@H+]1CCn2cncc2C1 ZINC000291588857 175327420 /nfs/dbraw/zinc/32/74/20/175327420.db2.gz PQIOCSGOVONFSN-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO COc1cc[nH+]c(CN(C)Cc2cc[nH]n2)c1 ZINC000358199423 175357640 /nfs/dbraw/zinc/35/76/40/175357640.db2.gz ROLYAIABCADJOR-UHFFFAOYSA-N 1 2 232.287 1.445 20 0 BDADLO COc1cc[nH+]c(CN2CCOC(C)(C)C2)c1 ZINC000106859852 175357903 /nfs/dbraw/zinc/35/79/03/175357903.db2.gz RGYOZPNMYOIEFV-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccnc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000106859852 175357905 /nfs/dbraw/zinc/35/79/05/175357905.db2.gz RGYOZPNMYOIEFV-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccnc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000106859852 175357906 /nfs/dbraw/zinc/35/79/06/175357906.db2.gz RGYOZPNMYOIEFV-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccnc(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000374782932 175362388 /nfs/dbraw/zinc/36/23/88/175362388.db2.gz PYPHCQFYURYUDU-VIFPVBQESA-N 1 2 245.286 1.550 20 0 BDADLO COc1ccncc1C[NH+]1[C@H](C)COC[C@H]1C ZINC000287653098 175369571 /nfs/dbraw/zinc/36/95/71/175369571.db2.gz GTNLIZLBXORIKE-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000287687474 175369642 /nfs/dbraw/zinc/36/96/42/175369642.db2.gz IMBJTKUOFNFEOZ-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000287687474 175369644 /nfs/dbraw/zinc/36/96/44/175369644.db2.gz IMBJTKUOFNFEOZ-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccncc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000287295509 175369677 /nfs/dbraw/zinc/36/96/77/175369677.db2.gz MJQBULNYXCLCSM-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000287295509 175369680 /nfs/dbraw/zinc/36/96/80/175369680.db2.gz MJQBULNYXCLCSM-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC(C)(C)C ZINC000292343763 175370893 /nfs/dbraw/zinc/37/08/93/175370893.db2.gz PBYKDTAGQQANQZ-UHFFFAOYSA-N 1 2 237.303 1.688 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@H]1CC1(F)F ZINC000297016749 175373544 /nfs/dbraw/zinc/37/35/44/175373544.db2.gz ZCKXMKZVCHZIBH-MRVPVSSYSA-N 1 2 243.209 1.789 20 0 BDADLO COc1cc[nH+]cc1CS[C@@H](C)CO ZINC000286407156 175374073 /nfs/dbraw/zinc/37/40/73/175374073.db2.gz FRIWLFBOPPRUEI-QMMMGPOBSA-N 1 2 213.302 1.704 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1CCC1 ZINC000299519001 175374526 /nfs/dbraw/zinc/37/45/26/175374526.db2.gz WBZAAJPVFBSQRJ-UHFFFAOYSA-N 1 2 206.245 1.829 20 0 BDADLO COc1ccncc1NC(=O)CCn1cc[nH+]c1 ZINC000263804246 175375002 /nfs/dbraw/zinc/37/50/02/175375002.db2.gz MOCJCDRLPADYHC-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C(=O)C(C)(C)C ZINC000265121763 175375211 /nfs/dbraw/zinc/37/52/11/175375211.db2.gz HJPXMOGFJRZDFH-UHFFFAOYSA-N 1 2 236.271 1.644 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(C(C)=O)CC1 ZINC000293540476 175375312 /nfs/dbraw/zinc/37/53/12/175375312.db2.gz XYKNUHYPFOSERD-UHFFFAOYSA-N 1 2 234.255 1.398 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](C)SC ZINC000330578781 175375325 /nfs/dbraw/zinc/37/53/25/175375325.db2.gz SJYJERAKMDKMHK-ZETCQYMHSA-N 1 2 226.301 1.780 20 0 BDADLO COc1cc[nH+]cc1Cn1nc(C)ccc1=O ZINC000341279217 175375457 /nfs/dbraw/zinc/37/54/57/175375457.db2.gz MTQDUIBEFHMCBG-UHFFFAOYSA-N 1 2 231.255 1.004 20 0 BDADLO COc1cc[nH+]cc1NCc1conc1C ZINC000293235584 175376387 /nfs/dbraw/zinc/37/63/87/175376387.db2.gz KZQXSBFDBZWSPP-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CS[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279220665 175541793 /nfs/dbraw/zinc/54/17/93/175541793.db2.gz OZBWZLCYSWVPTM-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO C[C@@H]([NH2+]CCO)c1nc(C2CCCCC2)no1 ZINC000185273876 175881420 /nfs/dbraw/zinc/88/14/20/175881420.db2.gz XQJAAPLZVGLEBS-SECBINFHSA-N 1 2 239.319 1.760 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+]1CCNC(=O)C1 ZINC000024046432 176021399 /nfs/dbraw/zinc/02/13/99/176021399.db2.gz BXKBZYXPWFBPDS-JTQLQIEISA-N 1 2 204.273 1.179 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+]1CCNC(=O)C1 ZINC000024046432 176021401 /nfs/dbraw/zinc/02/14/01/176021401.db2.gz BXKBZYXPWFBPDS-JTQLQIEISA-N 1 2 204.273 1.179 20 0 BDADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(N)=O ZINC000048581021 176024043 /nfs/dbraw/zinc/02/40/43/176024043.db2.gz QGAOUNVNNICAJQ-QMMMGPOBSA-N 1 2 226.707 1.818 20 0 BDADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(N)=O ZINC000048581021 176024045 /nfs/dbraw/zinc/02/40/45/176024045.db2.gz QGAOUNVNNICAJQ-QMMMGPOBSA-N 1 2 226.707 1.818 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCCC1 ZINC000170793678 176029558 /nfs/dbraw/zinc/02/95/58/176029558.db2.gz XCRHAGOOQWFQAQ-LBPRGKRZSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000170793678 176029559 /nfs/dbraw/zinc/02/95/59/176029559.db2.gz XCRHAGOOQWFQAQ-LBPRGKRZSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](CC(N)=O)C1CC1 ZINC000086233785 176031679 /nfs/dbraw/zinc/03/16/79/176031679.db2.gz LVCDHBCGEMFBDL-QMMMGPOBSA-N 1 2 208.261 1.290 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](CC(N)=O)C1CC1 ZINC000086233785 176031680 /nfs/dbraw/zinc/03/16/80/176031680.db2.gz LVCDHBCGEMFBDL-QMMMGPOBSA-N 1 2 208.261 1.290 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+](C)CCS(C)(=O)=O ZINC000264716606 176034203 /nfs/dbraw/zinc/03/42/03/176034203.db2.gz NTPXSOWLXCDMPA-JTQLQIEISA-N 1 2 242.344 1.119 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+](C)CCS(C)(=O)=O ZINC000264716606 176034205 /nfs/dbraw/zinc/03/42/05/176034205.db2.gz NTPXSOWLXCDMPA-JTQLQIEISA-N 1 2 242.344 1.119 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](O)C1 ZINC000049066925 176038318 /nfs/dbraw/zinc/03/83/18/176038318.db2.gz KSHSBIZCRJSQGL-WPRPVWTQSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](O)C1 ZINC000049066925 176038319 /nfs/dbraw/zinc/03/83/19/176038319.db2.gz KSHSBIZCRJSQGL-WPRPVWTQSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000280476882 176043806 /nfs/dbraw/zinc/04/38/06/176043806.db2.gz IVHHGLYNUYOQPJ-IUCAKERBSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000267831440 176056882 /nfs/dbraw/zinc/05/68/82/176056882.db2.gz DFAAHMJKTGYOTD-YIXGCBLDSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@@H]1CCC(=CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000267831440 176056885 /nfs/dbraw/zinc/05/68/85/176056885.db2.gz DFAAHMJKTGYOTD-YIXGCBLDSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000329119146 176059320 /nfs/dbraw/zinc/05/93/20/176059320.db2.gz VEUZZRRXXZACQF-NXEZZACHSA-N 1 2 232.283 1.750 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000283951520 176060419 /nfs/dbraw/zinc/06/04/19/176060419.db2.gz RIIWQDCIAHVLNR-RKDXNWHRSA-N 1 2 224.329 1.808 20 0 BDADLO C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC000276671841 176066404 /nfs/dbraw/zinc/06/64/04/176066404.db2.gz NVBFJXRMSBCIOB-LLVKDONJSA-N 1 2 235.331 1.754 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000360568098 176127898 /nfs/dbraw/zinc/12/78/98/176127898.db2.gz JJRUTZBYYGEDFP-GHMZBOCLSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1CCC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278136732 176132895 /nfs/dbraw/zinc/13/28/95/176132895.db2.gz AHDJIDRUOASCCY-APPZFPTMSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000293011444 176153213 /nfs/dbraw/zinc/15/32/13/176153213.db2.gz NZEHDBAXONSVMS-KOLCDFICSA-N 1 2 209.293 1.050 20 0 BDADLO C[C@@H]1CCN(C(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000127856631 176156260 /nfs/dbraw/zinc/15/62/60/176156260.db2.gz BUVZOLVHHJOGEH-GHMZBOCLSA-N 1 2 236.319 1.448 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccn2C)CC[S@]1=O ZINC000277421107 176176677 /nfs/dbraw/zinc/17/66/77/176176677.db2.gz IEVGTUOMWXINFX-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccn2C)CC[S@]1=O ZINC000277421107 176176678 /nfs/dbraw/zinc/17/66/78/176176678.db2.gz IEVGTUOMWXINFX-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccn2C(F)F)[C@@H]1CO ZINC000189731822 176179250 /nfs/dbraw/zinc/17/92/50/176179250.db2.gz ZENVYSYNUOPGCZ-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)[C@@H]1CO ZINC000189731822 176179251 /nfs/dbraw/zinc/17/92/51/176179251.db2.gz ZENVYSYNUOPGCZ-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000277423489 176181993 /nfs/dbraw/zinc/18/19/93/176181993.db2.gz LHPOXZFHTHEGTJ-LLVKDONJSA-N 1 2 232.331 1.923 20 0 BDADLO C[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000277423489 176181994 /nfs/dbraw/zinc/18/19/94/176181994.db2.gz LHPOXZFHTHEGTJ-LLVKDONJSA-N 1 2 232.331 1.923 20 0 BDADLO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000359552756 176218397 /nfs/dbraw/zinc/21/83/97/176218397.db2.gz GTZYTBKAZJZUMT-BXKDBHETSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1CC[C@H](C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)O1 ZINC000362090707 176224893 /nfs/dbraw/zinc/22/48/93/176224893.db2.gz ZTBUDYJVXCSVDC-DDHJBXDOSA-N 1 2 245.388 1.395 20 0 BDADLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCS1 ZINC000276553272 176241459 /nfs/dbraw/zinc/24/14/59/176241459.db2.gz ICCLVHSQPNPVMB-GKQMSVHHSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1C ZINC000294014887 176249552 /nfs/dbraw/zinc/24/95/52/176249552.db2.gz IVOLPXQIUPHRHI-GHMZBOCLSA-N 1 2 243.310 1.744 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccccn2)CCC1=O ZINC000049693640 176293973 /nfs/dbraw/zinc/29/39/73/176293973.db2.gz GAOLVDREYMJYRR-LLVKDONJSA-N 1 2 218.300 1.535 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccccn2)CCC1=O ZINC000049693640 176293975 /nfs/dbraw/zinc/29/39/75/176293975.db2.gz GAOLVDREYMJYRR-LLVKDONJSA-N 1 2 218.300 1.535 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)CCCO1 ZINC000187160845 176301714 /nfs/dbraw/zinc/30/17/14/176301714.db2.gz IDXBYQPLEYLAHW-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)CCCO1 ZINC000187160845 176301716 /nfs/dbraw/zinc/30/17/16/176301716.db2.gz IDXBYQPLEYLAHW-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000119561986 176303638 /nfs/dbraw/zinc/30/36/38/176303638.db2.gz TYFRRJZSMOUMIH-SECBINFHSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC(C)(C)O1 ZINC000119561986 176303640 /nfs/dbraw/zinc/30/36/40/176303640.db2.gz TYFRRJZSMOUMIH-SECBINFHSA-N 1 2 209.293 1.409 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccs2)CC[S@@](=O)C1 ZINC000277417165 176308057 /nfs/dbraw/zinc/30/80/57/176308057.db2.gz ITUXUZSOSYXIOS-MEBBXXQBSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccs2)CC[S@@](=O)C1 ZINC000277417165 176308059 /nfs/dbraw/zinc/30/80/59/176308059.db2.gz ITUXUZSOSYXIOS-MEBBXXQBSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cocn2)C[C@]2(CCOC2)O1 ZINC000280131258 176310594 /nfs/dbraw/zinc/31/05/94/176310594.db2.gz CKFDUIOQWJUBMJ-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cocn2)C[C@]2(CCOC2)O1 ZINC000280131258 176310596 /nfs/dbraw/zinc/31/05/96/176310596.db2.gz CKFDUIOQWJUBMJ-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@@H]1C ZINC000336318754 176311750 /nfs/dbraw/zinc/31/17/50/176311750.db2.gz WUPBIMGWNHXWOW-RKDXNWHRSA-N 1 2 222.336 1.942 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)[C@@H]1C ZINC000336318754 176311751 /nfs/dbraw/zinc/31/17/51/176311751.db2.gz WUPBIMGWNHXWOW-RKDXNWHRSA-N 1 2 222.336 1.942 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)CCS1 ZINC000171690884 176311771 /nfs/dbraw/zinc/31/17/71/176311771.db2.gz BBYIYHRUZBTADZ-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)CCS1 ZINC000171690884 176311772 /nfs/dbraw/zinc/31/17/72/176311772.db2.gz BBYIYHRUZBTADZ-SECBINFHSA-N 1 2 211.334 1.357 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)no2)C[C@@H]1O ZINC000351808215 176312729 /nfs/dbraw/zinc/31/27/29/176312729.db2.gz JBDSDHZLJVIUCE-BDAKNGLRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)no2)C[C@@H]1O ZINC000351808215 176312730 /nfs/dbraw/zinc/31/27/30/176312730.db2.gz JBDSDHZLJVIUCE-BDAKNGLRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)[C@@H]1c1ccccc1 ZINC000174982552 176315978 /nfs/dbraw/zinc/31/59/78/176315978.db2.gz APKBYULRWRWELT-RTXFEEFZSA-N 1 2 231.295 1.995 20 0 BDADLO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)[C@@H]1c1ccccc1 ZINC000174982552 176315980 /nfs/dbraw/zinc/31/59/80/176315980.db2.gz APKBYULRWRWELT-RTXFEEFZSA-N 1 2 231.295 1.995 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(O)c1 ZINC000132609577 176337343 /nfs/dbraw/zinc/33/73/43/176337343.db2.gz MUYHNDSNFVDLPC-SNVBAGLBSA-N 1 2 207.273 1.613 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc(O)c1 ZINC000132609577 176337344 /nfs/dbraw/zinc/33/73/44/176337344.db2.gz MUYHNDSNFVDLPC-SNVBAGLBSA-N 1 2 207.273 1.613 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CCC1=O ZINC000328997049 176358104 /nfs/dbraw/zinc/35/81/04/176358104.db2.gz UQHXBZCLHSHTTI-BDAKNGLRSA-N 1 2 248.282 1.153 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)CO1 ZINC000333345591 176358155 /nfs/dbraw/zinc/35/81/55/176358155.db2.gz UPXJVVAPFWHZLT-MXWKQRLJSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC2(C)C)c2[nH+]ccn21 ZINC000333833684 176374196 /nfs/dbraw/zinc/37/41/96/176374196.db2.gz LYYACIWNMQDGCQ-BBBLOLIVSA-N 1 2 248.330 1.987 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000361696869 176385203 /nfs/dbraw/zinc/38/52/03/176385203.db2.gz SZVBYPUTHGBVGB-VWYCJHECSA-N 1 2 233.315 1.740 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278504661 176398700 /nfs/dbraw/zinc/39/87/00/176398700.db2.gz XSDAOEQDTLOYMF-RNFRBKRXSA-N 1 2 232.291 1.013 20 0 BDADLO C[C@H](CNc1cccc[nH+]1)c1nncn1C ZINC000286671324 176687705 /nfs/dbraw/zinc/68/77/05/176687705.db2.gz MPWSTKSFPRSWHZ-SECBINFHSA-N 1 2 217.276 1.426 20 0 BDADLO C[C@H](O)[C@H](C)SCc1[nH+]ccn1C ZINC000079039912 177012905 /nfs/dbraw/zinc/01/29/05/177012905.db2.gz LDFARGZHFNWJOE-YUMQZZPRSA-N 1 2 200.307 1.423 20 0 BDADLO C[C@H](O)c1ncc(C[N@@H+]2CCCOCC2)s1 ZINC000367377373 177018611 /nfs/dbraw/zinc/01/86/11/177018611.db2.gz JTFKLOXVSGCWOV-VIFPVBQESA-N 1 2 242.344 1.419 20 0 BDADLO C[C@H](O)c1ncc(C[N@H+]2CCCOCC2)s1 ZINC000367377373 177018612 /nfs/dbraw/zinc/01/86/12/177018612.db2.gz JTFKLOXVSGCWOV-VIFPVBQESA-N 1 2 242.344 1.419 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287011462 177051120 /nfs/dbraw/zinc/05/11/20/177051120.db2.gz RLQDNVPTMDJAAK-ZYHUDNBSSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287011462 177051122 /nfs/dbraw/zinc/05/11/22/177051122.db2.gz RLQDNVPTMDJAAK-ZYHUDNBSSA-N 1 2 239.294 1.334 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCSC(C)(C)C1 ZINC000334146089 177054052 /nfs/dbraw/zinc/05/40/52/177054052.db2.gz OLRXZBIYQUMKNI-SECBINFHSA-N 1 2 240.376 1.704 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCSC(C)(C)C1 ZINC000334146089 177054053 /nfs/dbraw/zinc/05/40/53/177054053.db2.gz OLRXZBIYQUMKNI-SECBINFHSA-N 1 2 240.376 1.704 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336266735 177054559 /nfs/dbraw/zinc/05/45/59/177054559.db2.gz JVMVQGIQGXAVIP-MWLCHTKSSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000336266735 177054561 /nfs/dbraw/zinc/05/45/61/177054561.db2.gz JVMVQGIQGXAVIP-MWLCHTKSSA-N 1 2 226.299 1.700 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000280476883 177056840 /nfs/dbraw/zinc/05/68/40/177056840.db2.gz IVHHGLYNUYOQPJ-RKDXNWHRSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(F)cc1 ZINC000072097758 177059759 /nfs/dbraw/zinc/05/97/59/177059759.db2.gz GWAMVRROFBLJQT-VIFPVBQESA-N 1 2 222.263 1.146 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072097758 177059760 /nfs/dbraw/zinc/05/97/60/177059760.db2.gz GWAMVRROFBLJQT-VIFPVBQESA-N 1 2 222.263 1.146 20 0 BDADLO C[C@H]1CCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000274693045 177069754 /nfs/dbraw/zinc/06/97/54/177069754.db2.gz RHHFJJOELOLEEO-LBPRGKRZSA-N 1 2 235.331 1.922 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C ZINC000267744600 177107417 /nfs/dbraw/zinc/10/74/17/177107417.db2.gz XEICJWTZIOLXTE-MNOVXSKESA-N 1 2 236.319 1.466 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCc1[nH+]ccn1C ZINC000335905048 177128393 /nfs/dbraw/zinc/12/83/93/177128393.db2.gz XXRYMBJQMZQSDV-GXFFZTMASA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccn[nH]1 ZINC000293011447 177144206 /nfs/dbraw/zinc/14/42/06/177144206.db2.gz NZEHDBAXONSVMS-ONGXEEELSA-N 1 2 209.293 1.050 20 0 BDADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000270917681 177147461 /nfs/dbraw/zinc/14/74/61/177147461.db2.gz DXHOEJWYERLPIQ-NWDGAFQWSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)n2C)[C@H]1CO ZINC000248979147 177169124 /nfs/dbraw/zinc/16/91/24/177169124.db2.gz UYIPZIJSKWLKTJ-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)n2C)[C@H]1CO ZINC000248979147 177169126 /nfs/dbraw/zinc/16/91/26/177169126.db2.gz UYIPZIJSKWLKTJ-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nccn2C(F)F)[C@@H]1CO ZINC000189731844 177169211 /nfs/dbraw/zinc/16/92/11/177169211.db2.gz ZENVYSYNUOPGCZ-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nccn2C(F)F)[C@@H]1CO ZINC000189731844 177169212 /nfs/dbraw/zinc/16/92/12/177169212.db2.gz ZENVYSYNUOPGCZ-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000336681937 177192070 /nfs/dbraw/zinc/19/20/70/177192070.db2.gz YHCRLBBARUMHOL-WDEREUQCSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H]1C[NH+](CCOCC2CC2)C[C@H](C)S1=O ZINC000362087493 177252529 /nfs/dbraw/zinc/25/25/29/177252529.db2.gz BOOZGLCOALYDKN-QWRGUYRKSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CCC1=O ZINC000168904963 177259496 /nfs/dbraw/zinc/25/94/96/177259496.db2.gz VDHNGUQZRHWJQY-FZMZJTMJSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCC1=O ZINC000168904963 177259497 /nfs/dbraw/zinc/25/94/97/177259497.db2.gz VDHNGUQZRHWJQY-FZMZJTMJSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cccc(O)c1 ZINC000336545051 177264232 /nfs/dbraw/zinc/26/42/32/177264232.db2.gz UZYUSMRSADSGDX-NWDGAFQWSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cccc(O)c1 ZINC000336545051 177264234 /nfs/dbraw/zinc/26/42/34/177264234.db2.gz UZYUSMRSADSGDX-NWDGAFQWSA-N 1 2 234.343 1.917 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc2nccn21 ZINC000179733076 177265207 /nfs/dbraw/zinc/26/52/07/177265207.db2.gz ODDZBFQNWQSKLZ-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc2nccn21 ZINC000179733076 177265208 /nfs/dbraw/zinc/26/52/08/177265208.db2.gz ODDZBFQNWQSKLZ-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1Cc1cccc2[nH+]ccn21 ZINC000179733076 177265210 /nfs/dbraw/zinc/26/52/10/177265210.db2.gz ODDZBFQNWQSKLZ-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccco2)CC[S@](=O)C1 ZINC000277567831 177267860 /nfs/dbraw/zinc/26/78/60/177267860.db2.gz SJSFQXUVBQDCMC-BONVTDFDSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccco2)CC[S@](=O)C1 ZINC000277567831 177267861 /nfs/dbraw/zinc/26/78/61/177267861.db2.gz SJSFQXUVBQDCMC-BONVTDFDSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccn(C)n1 ZINC000271072879 177268404 /nfs/dbraw/zinc/26/84/04/177268404.db2.gz OWTBPXBYRVPKPP-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000271072879 177268406 /nfs/dbraw/zinc/26/84/06/177268406.db2.gz OWTBPXBYRVPKPP-ZJUUUORDSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncc(F)c2)[C@@H](C)CO1 ZINC000275117193 177269700 /nfs/dbraw/zinc/26/97/00/177269700.db2.gz ICOCWXKBBNTHHK-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncc(F)c2)[C@@H](C)CO1 ZINC000275117193 177269702 /nfs/dbraw/zinc/26/97/02/177269702.db2.gz ICOCWXKBBNTHHK-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296243392 177273956 /nfs/dbraw/zinc/27/39/56/177273956.db2.gz PAQCSIBLAURDAT-UWVGGRQHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296243392 177273958 /nfs/dbraw/zinc/27/39/58/177273958.db2.gz PAQCSIBLAURDAT-UWVGGRQHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc[nH]n1 ZINC000336454195 177286987 /nfs/dbraw/zinc/28/69/87/177286987.db2.gz KDZFHIHRAAVXHO-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc[nH]n1 ZINC000336454195 177286988 /nfs/dbraw/zinc/28/69/88/177286988.db2.gz KDZFHIHRAAVXHO-VIFPVBQESA-N 1 2 209.293 1.409 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000053931636 177290761 /nfs/dbraw/zinc/29/07/61/177290761.db2.gz SJCLDDQZYZSRGX-LBPRGKRZSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@H]1COCC[N@H+]1CCC(=O)c1ccccc1 ZINC000053931636 177290764 /nfs/dbraw/zinc/29/07/64/177290764.db2.gz SJCLDDQZYZSRGX-LBPRGKRZSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@H]1COCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000286995606 177295565 /nfs/dbraw/zinc/29/55/65/177295565.db2.gz UJZCIDVIAZZYDT-ZNRGBCAMSA-N 1 2 249.314 1.212 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000355221583 177341668 /nfs/dbraw/zinc/34/16/68/177341668.db2.gz DRVDIVPTJWGSBH-NWDGAFQWSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cn3ccccc3n2)[C@@H]1C ZINC000156185029 177399703 /nfs/dbraw/zinc/39/97/03/177399703.db2.gz IDHSTVNHMFWQOL-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cn3ccccc3n2)[C@@H]1C ZINC000156185029 177399706 /nfs/dbraw/zinc/39/97/06/177399706.db2.gz IDHSTVNHMFWQOL-VXGBXAGGSA-N 1 2 245.326 1.944 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C2CC2)no1 ZINC000281629047 177530026 /nfs/dbraw/zinc/53/00/26/177530026.db2.gz CXGSJHZHBYJNDN-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC2(CC2)C1 ZINC000335491165 487638947 /nfs/dbraw/zinc/63/89/47/487638947.db2.gz LCWDEAXTOSCQTR-JTQLQIEISA-N 1 2 231.299 1.068 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493956 487639695 /nfs/dbraw/zinc/63/96/95/487639695.db2.gz AQKSQRJHTVSVTA-GXSJLCMTSA-N 1 2 231.299 1.114 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)NCC1CCC1 ZINC000271753247 487639919 /nfs/dbraw/zinc/63/99/19/487639919.db2.gz YBPZZLMHMICUHE-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO c1cn(CCSc2nc3c([nH]2)CCC3)c[nH+]1 ZINC000487917120 225331433 /nfs/dbraw/zinc/33/14/33/225331433.db2.gz MXKALPKGHQDLHY-UHFFFAOYSA-N 1 2 234.328 1.887 20 0 BDADLO CC[NH+](CC)CCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000034962216 487644952 /nfs/dbraw/zinc/64/49/52/487644952.db2.gz CVIXEFTXILIHPA-UHFFFAOYSA-N 1 2 237.303 1.534 20 0 BDADLO O=C(/C=C\c1ccncc1)NCc1[nH]cc[nH+]1 ZINC000491829364 225852199 /nfs/dbraw/zinc/85/21/99/225852199.db2.gz ZDBWXWIZFCXNAW-UPHRSURJSA-N 1 2 228.255 1.134 20 0 BDADLO C[C@@H]1CSCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808577 226057797 /nfs/dbraw/zinc/05/77/97/226057797.db2.gz DDQVMAOXJPJTJP-PKRMOACSSA-N 1 2 237.328 1.387 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(F)cc1 ZINC000492856884 226068466 /nfs/dbraw/zinc/06/84/66/226068466.db2.gz CPGMSZUIYQQSHX-AATRIKPKSA-N 1 2 245.257 1.878 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCCOC1 ZINC000492867371 226070544 /nfs/dbraw/zinc/07/05/44/226070544.db2.gz RESGLGCYDQMOEK-NNOMMRTBSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC(F)(F)F ZINC000492869122 226071595 /nfs/dbraw/zinc/07/15/95/226071595.db2.gz UJARCYWTXSPBDL-OWOJBTEDSA-N 1 2 233.193 1.492 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCCO1 ZINC000492889672 226074927 /nfs/dbraw/zinc/07/49/27/226074927.db2.gz BAQKQJHNEKVOJC-WYGGZMRJSA-N 1 2 235.287 1.108 20 0 BDADLO Cc1ncsc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903842 226079719 /nfs/dbraw/zinc/07/97/19/226079719.db2.gz UXCBKYZNBDBDEK-NSCUHMNNSA-N 1 2 248.311 1.504 20 0 BDADLO Cc1ccnc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492976424 226095474 /nfs/dbraw/zinc/09/54/74/226095474.db2.gz XZOQHFZNZKGJKU-NSCUHMNNSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC[C@H]1CCCCO1 ZINC000493071205 226118255 /nfs/dbraw/zinc/11/82/55/226118255.db2.gz OBDSDKCBXOQHOR-SGUJLRQBSA-N 1 2 249.314 1.498 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H](CO)CC1 ZINC000493116058 226130868 /nfs/dbraw/zinc/13/08/68/226130868.db2.gz JFAFADCCOQPBHW-PGLGOXFNSA-N 1 2 249.314 1.044 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cccnc1 ZINC000493171232 226145481 /nfs/dbraw/zinc/14/54/81/226145481.db2.gz LGCUAFJPZJWNEV-ARJAWSKDSA-N 1 2 242.282 1.177 20 0 BDADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493230388 226161991 /nfs/dbraw/zinc/16/19/91/226161991.db2.gz KOCKBCWDWHBPSJ-SNAWJCMRSA-N 1 2 228.255 1.765 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccnc1F ZINC000493392962 226203865 /nfs/dbraw/zinc/20/38/65/226203865.db2.gz REDGEDYATDXFFH-ONEGZZNKSA-N 1 2 246.245 1.273 20 0 BDADLO Cc1cc(NC(=O)C=C[C@@H]2CCOC2)c(C)c[nH+]1 ZINC000493470098 226225646 /nfs/dbraw/zinc/22/56/46/226225646.db2.gz VIKWKPJZPCTQFF-AAOUONPWSA-N 1 2 246.310 1.652 20 0 BDADLO COC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000493562435 226243765 /nfs/dbraw/zinc/24/37/65/226243765.db2.gz UPZRIECDXHLMBW-PLNGDYQASA-N 1 2 249.314 1.498 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C\C2CCCC2)c1 ZINC000493742629 226251906 /nfs/dbraw/zinc/25/19/06/226251906.db2.gz SZRQSXXGXQGFCP-SREVYHEPSA-N 1 2 247.342 1.825 20 0 BDADLO O=C(/C=C/c1cncs1)NCCn1cc[nH+]c1 ZINC000493781907 226253803 /nfs/dbraw/zinc/25/38/03/226253803.db2.gz GFICBXPRLALUAN-OWOJBTEDSA-N 1 2 248.311 1.169 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCC1(F)CCC1 ZINC000493802968 226254892 /nfs/dbraw/zinc/25/48/92/226254892.db2.gz MIIPPMDZVGJSTK-NSCUHMNNSA-N 1 2 237.278 1.821 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC12CCOCC2 ZINC000493867104 226258257 /nfs/dbraw/zinc/25/82/57/226258257.db2.gz FJAMZXLBYNMHAS-TXXBHVLJSA-N 1 2 247.298 1.108 20 0 BDADLO [NH3+][C@@H](C(=O)NCC1CCCC1)c1cscn1 ZINC000564833916 322935316 /nfs/dbraw/zinc/93/53/16/322935316.db2.gz CGZCFGWWWGYJCK-SNVBAGLBSA-N 1 2 239.344 1.449 20 0 BDADLO COCCOC[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000896038609 583766380 /nfs/dbraw/zinc/76/63/80/583766380.db2.gz UVUNNGJGNRUVNC-HTQZYQBOSA-N 1 2 211.252 1.281 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H](C)C(F)F ZINC000228519904 487670885 /nfs/dbraw/zinc/67/08/85/487670885.db2.gz SFOCYMZNRRFWNA-ZETCQYMHSA-N 1 2 203.236 1.472 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000510110060 229293562 /nfs/dbraw/zinc/29/35/62/229293562.db2.gz VUFGIPXIDQTFKX-AOOOYVTPSA-N 1 2 229.320 1.437 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000510110060 229293564 /nfs/dbraw/zinc/29/35/64/229293564.db2.gz VUFGIPXIDQTFKX-AOOOYVTPSA-N 1 2 229.320 1.437 20 0 BDADLO OCC1([NH2+]Cc2noc(C3CC3)n2)CCCC1 ZINC000305241654 229373012 /nfs/dbraw/zinc/37/30/12/229373012.db2.gz ROWUJKAENBHMFK-UHFFFAOYSA-N 1 2 237.303 1.342 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccc(C)nc1)CC2 ZINC000680933072 487673842 /nfs/dbraw/zinc/67/38/42/487673842.db2.gz IKANKUBRUMAMDX-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccc(C)nc1)CC2 ZINC000680933072 487673844 /nfs/dbraw/zinc/67/38/44/487673844.db2.gz IKANKUBRUMAMDX-UHFFFAOYSA-N 1 2 242.326 1.911 20 0 BDADLO Fc1cnccc1C[NH+]1CC2(C1)CCOC2 ZINC000336219631 487693778 /nfs/dbraw/zinc/69/37/78/487693778.db2.gz SREKPFPKIDWYCZ-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OC ZINC000396572420 262806779 /nfs/dbraw/zinc/80/67/79/262806779.db2.gz FNUXNTUJCJQZIO-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO CCn1nncc1C[NH2+]Cc1csc(C)n1 ZINC000527728579 262876750 /nfs/dbraw/zinc/87/67/50/262876750.db2.gz QYFLQXQOZFSJHK-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CC(C)c1nocc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000528476333 262951869 /nfs/dbraw/zinc/95/18/69/262951869.db2.gz MUCWPJCMUMCLDV-UHFFFAOYSA-N 1 2 248.286 1.793 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1occ2c1CCC2 ZINC000671706799 487699595 /nfs/dbraw/zinc/69/95/95/487699595.db2.gz BYEMSNTZFDCLQU-UHFFFAOYSA-N 1 2 245.282 1.764 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCF ZINC000671711039 487701856 /nfs/dbraw/zinc/70/18/56/487701856.db2.gz SBHHVEQVQOSCBL-YUMQZZPRSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCF ZINC000671711039 487701861 /nfs/dbraw/zinc/70/18/61/487701861.db2.gz SBHHVEQVQOSCBL-YUMQZZPRSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000683919987 487715044 /nfs/dbraw/zinc/71/50/44/487715044.db2.gz HSUAUVUBPKLXAF-AOOOYVTPSA-N 1 2 235.331 1.802 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668415591 487716983 /nfs/dbraw/zinc/71/69/83/487716983.db2.gz AVBCUIFZXRXDJS-MRVPVSSYSA-N 1 2 219.288 1.183 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668415591 487716991 /nfs/dbraw/zinc/71/69/91/487716991.db2.gz AVBCUIFZXRXDJS-MRVPVSSYSA-N 1 2 219.288 1.183 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681119182 487731588 /nfs/dbraw/zinc/73/15/88/487731588.db2.gz ODABDOSJPGXCCK-SRVKXCTJSA-N 1 2 233.315 1.703 20 0 BDADLO FC1=CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665710559 487738139 /nfs/dbraw/zinc/73/81/39/487738139.db2.gz CWDQNWFZNGMAIQ-UHFFFAOYSA-N 1 2 236.250 1.344 20 0 BDADLO FC1=CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665710559 487738146 /nfs/dbraw/zinc/73/81/46/487738146.db2.gz CWDQNWFZNGMAIQ-UHFFFAOYSA-N 1 2 236.250 1.344 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cnoc1 ZINC000667770856 487740724 /nfs/dbraw/zinc/74/07/24/487740724.db2.gz JTKUCXNNEQQOEI-RKDXNWHRSA-N 1 2 232.243 1.150 20 0 BDADLO CCCN(CC)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666177984 487745622 /nfs/dbraw/zinc/74/56/22/487745622.db2.gz GOFHGNSXOGRBNQ-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO CCCN(CC)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666177984 487745630 /nfs/dbraw/zinc/74/56/30/487745630.db2.gz GOFHGNSXOGRBNQ-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000649450903 487748747 /nfs/dbraw/zinc/74/87/47/487748747.db2.gz CUKGOVDGIPSLGP-ONGXEEELSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000649450903 487748752 /nfs/dbraw/zinc/74/87/52/487748752.db2.gz CUKGOVDGIPSLGP-ONGXEEELSA-N 1 2 208.309 1.863 20 0 BDADLO CCOCC[N@@H+](CC)Cn1ccsc1=O ZINC000746621893 585171123 /nfs/dbraw/zinc/17/11/23/585171123.db2.gz XHSVSJIODKJEGP-UHFFFAOYSA-N 1 2 230.333 1.226 20 0 BDADLO CO[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CCC1 ZINC000668448617 487770645 /nfs/dbraw/zinc/77/06/45/487770645.db2.gz RXTCJJGFAJTVQS-LLVKDONJSA-N 1 2 237.303 1.183 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCC1OCCO1 ZINC000767822341 585526595 /nfs/dbraw/zinc/52/65/95/585526595.db2.gz MXUKYUWPVUTNDK-QMMMGPOBSA-N 1 2 221.247 1.479 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCC1OCCO1 ZINC000767822341 585526596 /nfs/dbraw/zinc/52/65/96/585526596.db2.gz MXUKYUWPVUTNDK-QMMMGPOBSA-N 1 2 221.247 1.479 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000681363308 487785012 /nfs/dbraw/zinc/78/50/12/487785012.db2.gz QSXIWQZREIBKOX-WDEREUQCSA-N 1 2 245.326 1.554 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000666315393 487785474 /nfs/dbraw/zinc/78/54/74/487785474.db2.gz ZTUZQOGCFUNRNI-YPMHNXCESA-N 1 2 249.314 1.997 20 0 BDADLO FCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000675892230 487787777 /nfs/dbraw/zinc/78/77/77/487787777.db2.gz JLTIWMNDAGQREV-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO FCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000675892230 487787781 /nfs/dbraw/zinc/78/77/81/487787781.db2.gz JLTIWMNDAGQREV-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464266 487788210 /nfs/dbraw/zinc/78/82/10/487788210.db2.gz WOVKENFGCFMLKY-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464266 487788217 /nfs/dbraw/zinc/78/82/17/487788217.db2.gz WOVKENFGCFMLKY-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464266 487788219 /nfs/dbraw/zinc/78/82/19/487788219.db2.gz WOVKENFGCFMLKY-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668464266 487788229 /nfs/dbraw/zinc/78/82/29/487788229.db2.gz WOVKENFGCFMLKY-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679225716 487788806 /nfs/dbraw/zinc/78/88/06/487788806.db2.gz RBEPDDAAWAHPSS-SRVKXCTJSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679225716 487788809 /nfs/dbraw/zinc/78/88/09/487788809.db2.gz RBEPDDAAWAHPSS-SRVKXCTJSA-N 1 2 244.354 1.827 20 0 BDADLO CC(C)n1cc[nH+]c1CNCc1ccno1 ZINC000667978685 487788817 /nfs/dbraw/zinc/78/88/17/487788817.db2.gz KLQQMLNIIDAKQB-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO CC(C)n1ccnc1C[NH2+]Cc1ccno1 ZINC000667978685 487788822 /nfs/dbraw/zinc/78/88/22/487788822.db2.gz KLQQMLNIIDAKQB-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO COCCC1C[NH+](Cc2cscn2)C1 ZINC000668472612 487798922 /nfs/dbraw/zinc/79/89/22/487798922.db2.gz MTLRBCINTBJUOR-UHFFFAOYSA-N 1 2 212.318 1.611 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000678271487 487799420 /nfs/dbraw/zinc/79/94/20/487799420.db2.gz UULPUWGEGJCIBR-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000678271487 487799427 /nfs/dbraw/zinc/79/94/27/487799427.db2.gz UULPUWGEGJCIBR-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ncn(C)n1 ZINC000668029287 487804302 /nfs/dbraw/zinc/80/43/02/487804302.db2.gz SVOPOAVOQBCIMD-JMJZKYOTSA-N 1 2 236.319 1.033 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000666449382 487811956 /nfs/dbraw/zinc/81/19/56/487811956.db2.gz CEFPZSLCBDKIGM-WYUUTHIRSA-N 1 2 233.315 1.434 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000666449927 487811682 /nfs/dbraw/zinc/81/16/82/487811682.db2.gz KBKQTZTXPPUXQN-LPWJVIDDSA-N 1 2 247.342 1.824 20 0 BDADLO CN(CCOC(C)(C)C)C(=O)Cn1cc[nH+]c1 ZINC000676192608 487818547 /nfs/dbraw/zinc/81/85/47/487818547.db2.gz DERGHQSHUNBOLH-UHFFFAOYSA-N 1 2 239.319 1.157 20 0 BDADLO c1ncn([C@H]2CC[N@@H+](Cc3cscn3)C2)n1 ZINC000681603399 487821698 /nfs/dbraw/zinc/82/16/98/487821698.db2.gz CXTOWKWHHOAZRD-JTQLQIEISA-N 1 2 235.316 1.182 20 0 BDADLO c1ncn([C@H]2CC[N@H+](Cc3cscn3)C2)n1 ZINC000681603399 487821706 /nfs/dbraw/zinc/82/17/06/487821706.db2.gz CXTOWKWHHOAZRD-JTQLQIEISA-N 1 2 235.316 1.182 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000649937965 487823736 /nfs/dbraw/zinc/82/37/36/487823736.db2.gz XRYDKNJMOOHFCF-SRVKXCTJSA-N 1 2 242.338 1.820 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000649937965 487823741 /nfs/dbraw/zinc/82/37/41/487823741.db2.gz XRYDKNJMOOHFCF-SRVKXCTJSA-N 1 2 242.338 1.820 20 0 BDADLO Cc1cc(NC(=O)c2coc(C3CC3)n2)cc[nH+]1 ZINC000681606631 487824274 /nfs/dbraw/zinc/82/42/74/487824274.db2.gz OLGACGVCQWDMPY-UHFFFAOYSA-N 1 2 243.266 1.930 20 0 BDADLO C[C@H]1C[C@H](C)[NH+]1Cc1cn(C2CCC2)nn1 ZINC000668090833 487835040 /nfs/dbraw/zinc/83/50/40/487835040.db2.gz UBQCPZDOEOQNRZ-UWVGGRQHSA-N 1 2 220.320 1.986 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cnon2)[C@H]1C ZINC000851777211 588626712 /nfs/dbraw/zinc/62/67/12/588626712.db2.gz LGJBVVWSMNYBDM-JGVFFNPUSA-N 1 2 213.306 1.395 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cnon2)[C@H]1C ZINC000851777211 588626713 /nfs/dbraw/zinc/62/67/13/588626713.db2.gz LGJBVVWSMNYBDM-JGVFFNPUSA-N 1 2 213.306 1.395 20 0 BDADLO O=C(Cc1cc(C2CC2)no1)NCc1c[nH+]c[nH]1 ZINC000668995120 487844053 /nfs/dbraw/zinc/84/40/53/487844053.db2.gz HXQTXZTYJQWJGJ-UHFFFAOYSA-N 1 2 246.270 1.134 20 0 BDADLO O=C(Cc1cc(C2CC2)no1)NCc1c[nH]c[nH+]1 ZINC000668995120 487844056 /nfs/dbraw/zinc/84/40/56/487844056.db2.gz HXQTXZTYJQWJGJ-UHFFFAOYSA-N 1 2 246.270 1.134 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793611 590624003 /nfs/dbraw/zinc/62/40/03/590624003.db2.gz PLLNJLITISYAGM-SECBINFHSA-N 1 2 230.739 1.730 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793611 590624004 /nfs/dbraw/zinc/62/40/04/590624004.db2.gz PLLNJLITISYAGM-SECBINFHSA-N 1 2 230.739 1.730 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)CCCF)no1 ZINC000887141103 592455372 /nfs/dbraw/zinc/45/53/72/592455372.db2.gz GHKSGXGGRXCXQP-SSDOTTSWSA-N 1 2 201.245 1.730 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2cccc(O)c2)n1 ZINC000676413702 487849039 /nfs/dbraw/zinc/84/90/39/487849039.db2.gz FFDFRMRSGJFMLC-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2cccc(O)c2)n1 ZINC000676413702 487849042 /nfs/dbraw/zinc/84/90/42/487849042.db2.gz FFDFRMRSGJFMLC-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488186463 529362130 /nfs/dbraw/zinc/36/21/30/529362130.db2.gz SXIKITXLKPIKPJ-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488186463 529362132 /nfs/dbraw/zinc/36/21/32/529362132.db2.gz SXIKITXLKPIKPJ-MNOVXSKESA-N 1 2 242.363 1.400 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccncn2)c1 ZINC000681745648 487851216 /nfs/dbraw/zinc/85/12/16/487851216.db2.gz JOAUILJELOLBMI-UHFFFAOYSA-N 1 2 243.270 1.190 20 0 BDADLO COC[C@@H]1CCC[N@@H+]1Cc1nc(C(C)C)no1 ZINC000674469385 487854513 /nfs/dbraw/zinc/85/45/13/487854513.db2.gz HYMSPMCVDCOUSY-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO COC[C@@H]1CCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000674469385 487854518 /nfs/dbraw/zinc/85/45/18/487854518.db2.gz HYMSPMCVDCOUSY-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CCOc1ncccc1NC(=O)Cn1cc[nH+]c1 ZINC000558644177 322952922 /nfs/dbraw/zinc/95/29/22/322952922.db2.gz KMJWTVVOLXAZHK-UHFFFAOYSA-N 1 2 246.270 1.316 20 0 BDADLO COc1ccc(NCc2[nH]cc[nH+]2)c(OC)n1 ZINC000676495556 487857971 /nfs/dbraw/zinc/85/79/71/487857971.db2.gz VFVZXMSUUSLODE-UHFFFAOYSA-N 1 2 234.259 1.434 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000668510453 487868519 /nfs/dbraw/zinc/86/85/19/487868519.db2.gz SKFHOEVYWCPKND-UTLUCORTSA-N 1 2 236.319 1.229 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CO1 ZINC000566162443 322961156 /nfs/dbraw/zinc/96/11/56/322961156.db2.gz UGEXBQAVUDQENH-WCBMZHEXSA-N 1 2 219.288 1.365 20 0 BDADLO Cc1cc(Nc2cnn(CCO)c2)nc(C)[nH+]1 ZINC000681977388 487874195 /nfs/dbraw/zinc/87/41/95/487874195.db2.gz SVLKKWRDOPSSDS-UHFFFAOYSA-N 1 2 233.275 1.026 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2cc[nH]n2)C1 ZINC000668513220 487874346 /nfs/dbraw/zinc/87/43/46/487874346.db2.gz FPJURSRPEOWTHA-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@H](C[N@H+]1CC(=O)N(C2CC2)C1)C(C)(C)C ZINC000670270523 487887035 /nfs/dbraw/zinc/88/70/35/487887035.db2.gz PEHYXDAWJXXNJQ-SNVBAGLBSA-N 1 2 224.348 1.933 20 0 BDADLO C[C@H](C[N@@H+]1CC(=O)N(C2CC2)C1)C(C)(C)C ZINC000670270523 487887038 /nfs/dbraw/zinc/88/70/38/487887038.db2.gz PEHYXDAWJXXNJQ-SNVBAGLBSA-N 1 2 224.348 1.933 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000676695344 487893240 /nfs/dbraw/zinc/89/32/40/487893240.db2.gz LUPWPDZQVFPHRC-JQWIXIFHSA-N 1 2 247.342 1.608 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000416328271 487897066 /nfs/dbraw/zinc/89/70/66/487897066.db2.gz ZSZUBUQDTIVQJD-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000416328271 487897072 /nfs/dbraw/zinc/89/70/72/487897072.db2.gz ZSZUBUQDTIVQJD-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1ccco1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000668535542 487897935 /nfs/dbraw/zinc/89/79/35/487897935.db2.gz HUSIRLIUGGSWAF-SNVBAGLBSA-N 1 2 247.298 1.540 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000676714009 487901941 /nfs/dbraw/zinc/90/19/41/487901941.db2.gz NCYSHCJXRQLWFR-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000676714009 487901945 /nfs/dbraw/zinc/90/19/45/487901945.db2.gz NCYSHCJXRQLWFR-SECBINFHSA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000676714010 487902202 /nfs/dbraw/zinc/90/22/02/487902202.db2.gz NCYSHCJXRQLWFR-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000676714010 487902208 /nfs/dbraw/zinc/90/22/08/487902208.db2.gz NCYSHCJXRQLWFR-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO COc1cc(C)nc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000139929184 487904810 /nfs/dbraw/zinc/90/48/10/487904810.db2.gz UYMGMXVOWKZTHN-MRVPVSSYSA-N 1 2 233.275 1.690 20 0 BDADLO CCn1nc(C)cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000090124200 487906582 /nfs/dbraw/zinc/90/65/82/487906582.db2.gz VTNZQYLJXBXYQZ-UHFFFAOYSA-N 1 2 245.286 1.441 20 0 BDADLO FC(F)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671254164 487911495 /nfs/dbraw/zinc/91/14/95/487911495.db2.gz SKCZINUCZVJDOQ-SNVBAGLBSA-N 1 2 205.248 1.754 20 0 BDADLO FC(F)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671254164 487911499 /nfs/dbraw/zinc/91/14/99/487911499.db2.gz SKCZINUCZVJDOQ-SNVBAGLBSA-N 1 2 205.248 1.754 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NC1([C@H](C)O)CC1 ZINC000667060798 487918747 /nfs/dbraw/zinc/91/87/47/487918747.db2.gz APJFPOSUHCEAMA-JTQLQIEISA-N 1 2 249.314 1.733 20 0 BDADLO CCc1nn(C)cc1CNc1ccc(CO)c[nH+]1 ZINC000671125676 487922304 /nfs/dbraw/zinc/92/23/04/487922304.db2.gz SQYKHXXWZIGNKZ-UHFFFAOYSA-N 1 2 246.314 1.482 20 0 BDADLO C[C@@H]1C[C@H](C[N@@H+]2CC(F)(F)C[C@@H]2CO)CCO1 ZINC000682165627 487922507 /nfs/dbraw/zinc/92/25/07/487922507.db2.gz XGUNTSXDHRLPFN-GMTAPVOTSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C[N@H+]2CC(F)(F)C[C@@H]2CO)CCO1 ZINC000682165627 487922508 /nfs/dbraw/zinc/92/25/08/487922508.db2.gz XGUNTSXDHRLPFN-GMTAPVOTSA-N 1 2 249.301 1.503 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000669063908 487924590 /nfs/dbraw/zinc/92/45/90/487924590.db2.gz FPQHTMQUXHXANW-OUAUKWLOSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000669063908 487924594 /nfs/dbraw/zinc/92/45/94/487924594.db2.gz FPQHTMQUXHXANW-OUAUKWLOSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1cc(C)n(CC[N@@H+]2CCc3cn[nH]c3C2)n1 ZINC000676796059 487933116 /nfs/dbraw/zinc/93/31/16/487933116.db2.gz WQIOXNTWWBPHFP-UHFFFAOYSA-N 1 2 245.330 1.281 20 0 BDADLO Cc1cc(C)n(CC[N@H+]2CCc3cn[nH]c3C2)n1 ZINC000676796059 487933123 /nfs/dbraw/zinc/93/31/23/487933123.db2.gz WQIOXNTWWBPHFP-UHFFFAOYSA-N 1 2 245.330 1.281 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(F)F ZINC000682373489 487942136 /nfs/dbraw/zinc/94/21/36/487942136.db2.gz RDAPEVVWYOKRBK-HLTSFMKQSA-N 1 2 207.264 1.733 20 0 BDADLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(F)F ZINC000682373489 487942142 /nfs/dbraw/zinc/94/21/42/487942142.db2.gz RDAPEVVWYOKRBK-HLTSFMKQSA-N 1 2 207.264 1.733 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)C ZINC000665915067 487945631 /nfs/dbraw/zinc/94/56/31/487945631.db2.gz BURVEKIZMRBCRC-RKDXNWHRSA-N 1 2 221.304 1.438 20 0 BDADLO Oc1ccc(C[NH+]2CC(n3cccn3)C2)cc1 ZINC000682404303 487948024 /nfs/dbraw/zinc/94/80/24/487948024.db2.gz UXOCRVLNHIRJHV-UHFFFAOYSA-N 1 2 229.283 1.646 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC000652466585 487952517 /nfs/dbraw/zinc/95/25/17/487952517.db2.gz YQVLMELHYAQPTC-VHSXEESVSA-N 1 2 219.288 1.503 20 0 BDADLO CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000530933006 322899030 /nfs/dbraw/zinc/89/90/30/322899030.db2.gz PEQOKGGYWZJLIV-UHFFFAOYSA-N 1 2 219.288 1.457 20 0 BDADLO Cc1cc(NC(=O)N2C3CCC2CC3)cc[nH+]1 ZINC000556769213 322922937 /nfs/dbraw/zinc/92/29/37/322922937.db2.gz KZPHDKIJAKRFNS-UHFFFAOYSA-N 1 2 231.299 1.971 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3c(n2)CCC3)on1 ZINC000569605289 322972505 /nfs/dbraw/zinc/97/25/05/322972505.db2.gz KGFFMVFBENHWAM-UHFFFAOYSA-N 1 2 229.283 1.848 20 0 BDADLO CCCN(CC(F)F)C(=O)C[NH+]1CC(C)(C)C1 ZINC000561206345 322997071 /nfs/dbraw/zinc/99/70/71/322997071.db2.gz JESLCVHUBZWELH-UHFFFAOYSA-N 1 2 248.317 1.832 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC000566485001 323001548 /nfs/dbraw/zinc/00/15/48/323001548.db2.gz WIGDLOKZMNVTKX-STQMWFEESA-N 1 2 247.342 1.956 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000561506936 323003135 /nfs/dbraw/zinc/00/31/35/323003135.db2.gz WXUDQCSUDLYJIS-NSHDSACASA-N 1 2 235.331 1.467 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000131453849 323012973 /nfs/dbraw/zinc/01/29/73/323012973.db2.gz QPRBNFVOFXBDFQ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000131453849 323012974 /nfs/dbraw/zinc/01/29/74/323012974.db2.gz QPRBNFVOFXBDFQ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO c1cnnc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000562439487 323019922 /nfs/dbraw/zinc/01/99/22/323019922.db2.gz WOMANQMTBPTRGO-UHFFFAOYSA-N 1 2 227.271 1.178 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)CCCOC1)c1[nH]cc[nH+]1 ZINC000566865678 323021164 /nfs/dbraw/zinc/02/11/64/323021164.db2.gz DSJCSJVZTBGYJY-BXKDBHETSA-N 1 2 237.303 1.404 20 0 BDADLO OCCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000562686620 323027608 /nfs/dbraw/zinc/02/76/08/323027608.db2.gz AUTIKLJWECXUER-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2=CCCCC2)[nH+]1 ZINC000562696998 323028069 /nfs/dbraw/zinc/02/80/69/323028069.db2.gz QMTNPSGUWXBTKU-UHFFFAOYSA-N 1 2 247.346 1.580 20 0 BDADLO Cc1nc(NCC2=CCCCC2)nc(N(C)C)[nH+]1 ZINC000562696998 323028070 /nfs/dbraw/zinc/02/80/70/323028070.db2.gz QMTNPSGUWXBTKU-UHFFFAOYSA-N 1 2 247.346 1.580 20 0 BDADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)Cn1cc[nH+]c1 ZINC000562962677 323036610 /nfs/dbraw/zinc/03/66/10/323036610.db2.gz QKKLMRQOFWNXJL-DGCLKSJQSA-N 1 2 235.331 1.968 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](C)c1cncnc1C ZINC000569825695 323042010 /nfs/dbraw/zinc/04/20/10/323042010.db2.gz UFWPUCWWUPGZQS-SNVBAGLBSA-N 1 2 245.330 1.852 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC12CC2 ZINC000569960963 323045876 /nfs/dbraw/zinc/04/58/76/323045876.db2.gz UYGBFGQIJGTXGS-MRVPVSSYSA-N 1 2 215.260 1.328 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000570454255 323060134 /nfs/dbraw/zinc/06/01/34/323060134.db2.gz CPDQPPQOBPFXPJ-UWVGGRQHSA-N 1 2 239.344 1.600 20 0 BDADLO Cc1nnsc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000570454255 323060135 /nfs/dbraw/zinc/06/01/35/323060135.db2.gz CPDQPPQOBPFXPJ-UWVGGRQHSA-N 1 2 239.344 1.600 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnccn1 ZINC000570495229 323061156 /nfs/dbraw/zinc/06/11/56/323061156.db2.gz FKPPMLMQPVOIAG-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnccn1 ZINC000570495229 323061157 /nfs/dbraw/zinc/06/11/57/323061157.db2.gz FKPPMLMQPVOIAG-ZYHUDNBSSA-N 1 2 221.304 1.476 20 0 BDADLO CC(F)(F)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000570509810 323061787 /nfs/dbraw/zinc/06/17/87/323061787.db2.gz MUPYZFSQVROABD-YFKPBYRVSA-N 1 2 221.169 1.545 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC12CC2 ZINC000570831921 323072110 /nfs/dbraw/zinc/07/21/10/323072110.db2.gz JWTCATIVHYVXEY-NXEZZACHSA-N 1 2 234.303 1.123 20 0 BDADLO Cc1cccc(CNC(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000570860100 323072728 /nfs/dbraw/zinc/07/27/28/323072728.db2.gz CFNAGZLLNKCXIQ-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Oc1cccnc1C[N@@H+]1CCOCC12CC2 ZINC000570859522 323072739 /nfs/dbraw/zinc/07/27/39/323072739.db2.gz VPRNCPZUXLMJMH-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Oc1cccnc1C[N@H+]1CCOCC12CC2 ZINC000570859522 323072740 /nfs/dbraw/zinc/07/27/40/323072740.db2.gz VPRNCPZUXLMJMH-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000570863830 323072873 /nfs/dbraw/zinc/07/28/73/323072873.db2.gz KVDXWEXLBVTCJD-UMNHJUIQSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000570863830 323072874 /nfs/dbraw/zinc/07/28/74/323072874.db2.gz KVDXWEXLBVTCJD-UMNHJUIQSA-N 1 2 235.331 1.893 20 0 BDADLO CCCN1CC(=O)N[C@H]1c1c[nH+]cn1C(C)C ZINC000563000753 323079136 /nfs/dbraw/zinc/07/91/36/323079136.db2.gz YFOLHIKAEYVHDX-GFCCVEGCSA-N 1 2 236.319 1.304 20 0 BDADLO C[C@@H](c1nnnn1C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000526055515 323079747 /nfs/dbraw/zinc/07/97/47/323079747.db2.gz SMUWCWWBXOKPNL-HLTSFMKQSA-N 1 2 241.364 1.097 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000563017685 323080026 /nfs/dbraw/zinc/08/00/26/323080026.db2.gz QQNZKRKMAYXZJX-CMPLNLGQSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000563017685 323080027 /nfs/dbraw/zinc/08/00/27/323080027.db2.gz QQNZKRKMAYXZJX-CMPLNLGQSA-N 1 2 233.315 1.565 20 0 BDADLO CC1(C)CN(C[N@@H+]2CCC[C@H]2CF)C(=O)O1 ZINC000497154309 323081459 /nfs/dbraw/zinc/08/14/59/323081459.db2.gz XHDZJDWNYTVXIZ-VIFPVBQESA-N 1 2 230.283 1.609 20 0 BDADLO CC1(C)CN(C[N@H+]2CCC[C@H]2CF)C(=O)O1 ZINC000497154309 323081460 /nfs/dbraw/zinc/08/14/60/323081460.db2.gz XHDZJDWNYTVXIZ-VIFPVBQESA-N 1 2 230.283 1.609 20 0 BDADLO CC1(C)CN(C[N@@H+]2CC[C@](C)(F)C2)C(=O)O1 ZINC000494142045 323088242 /nfs/dbraw/zinc/08/82/42/323088242.db2.gz MXNLDDCVPHWRIA-NSHDSACASA-N 1 2 230.283 1.609 20 0 BDADLO CC1(C)CN(C[N@H+]2CC[C@](C)(F)C2)C(=O)O1 ZINC000494142045 323088243 /nfs/dbraw/zinc/08/82/43/323088243.db2.gz MXNLDDCVPHWRIA-NSHDSACASA-N 1 2 230.283 1.609 20 0 BDADLO COC[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000571060374 323106297 /nfs/dbraw/zinc/10/62/97/323106297.db2.gz MIZBDQFAETXGPV-LLVKDONJSA-N 1 2 221.304 1.566 20 0 BDADLO O=C(C1=CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000531611842 323110453 /nfs/dbraw/zinc/11/04/53/323110453.db2.gz VNJPAIJFDNBDOV-UHFFFAOYSA-N 1 2 217.272 1.377 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCSC ZINC000534078491 323113410 /nfs/dbraw/zinc/11/34/10/323113410.db2.gz WVGRGKJQYPFCGQ-SECBINFHSA-N 1 2 249.401 1.330 20 0 BDADLO CCOC(=O)[C@H]1CSCC[N@H+]1CCSC ZINC000534078491 323113411 /nfs/dbraw/zinc/11/34/11/323113411.db2.gz WVGRGKJQYPFCGQ-SECBINFHSA-N 1 2 249.401 1.330 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000531790609 323113448 /nfs/dbraw/zinc/11/34/48/323113448.db2.gz HEOYFVUEAVLOOF-NWDGAFQWSA-N 1 2 249.314 1.224 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000534311054 323116278 /nfs/dbraw/zinc/11/62/78/323116278.db2.gz WRKPLBYHELKBMG-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000534311054 323116279 /nfs/dbraw/zinc/11/62/79/323116279.db2.gz WRKPLBYHELKBMG-SNVBAGLBSA-N 1 2 237.303 1.558 20 0 BDADLO CCCCOCC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000534314847 323116325 /nfs/dbraw/zinc/11/63/25/323116325.db2.gz DVLOXCFHOBQTHR-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1(C2CC2)CC1 ZINC000534325895 323116762 /nfs/dbraw/zinc/11/67/62/323116762.db2.gz JTVPFCNHFQTEEN-UHFFFAOYSA-N 1 2 231.299 1.876 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCn3nncc3C2)n1 ZINC000563367757 323121489 /nfs/dbraw/zinc/12/14/89/323121489.db2.gz PZQNFNJGBDLZJM-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCn3nncc3C2)n1 ZINC000563367757 323121490 /nfs/dbraw/zinc/12/14/90/323121490.db2.gz PZQNFNJGBDLZJM-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1C[C@H]1C(C)C ZINC000563423683 323124337 /nfs/dbraw/zinc/12/43/37/323124337.db2.gz IADYIYRATSIDSY-IUCAKERBSA-N 1 2 236.319 1.193 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1C[C@H]1C(C)C ZINC000563423683 323124338 /nfs/dbraw/zinc/12/43/38/323124338.db2.gz IADYIYRATSIDSY-IUCAKERBSA-N 1 2 236.319 1.193 20 0 BDADLO CNC(=O)CCCN(C)c1nc(C)[nH+]cc1C ZINC000563427013 323126234 /nfs/dbraw/zinc/12/62/34/323126234.db2.gz POCKFUQWGNSVMF-UHFFFAOYSA-N 1 2 236.319 1.056 20 0 BDADLO CC(=O)N1CC[C@H](Nc2nc(C)[nH+]cc2C)C1 ZINC000563550392 323129994 /nfs/dbraw/zinc/12/99/94/323129994.db2.gz YWJSMFZLYDDYDQ-NSHDSACASA-N 1 2 234.303 1.126 20 0 BDADLO Cc1cc(N[C@H]([C@@H](CO)C2CC2)C2CC2)nc[nH+]1 ZINC000571493549 323145935 /nfs/dbraw/zinc/14/59/35/323145935.db2.gz OTYBVHMZDKANQV-JSGCOSHPSA-N 1 2 247.342 1.994 20 0 BDADLO CC(C)Cn1ccnc1NC(=O)Cn1cc[nH+]c1 ZINC000571511909 323146260 /nfs/dbraw/zinc/14/62/60/323146260.db2.gz HNJUXEOXUBZULP-UHFFFAOYSA-N 1 2 247.302 1.374 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](c2nnc[nH]2)C1 ZINC000571581815 323148553 /nfs/dbraw/zinc/14/85/53/323148553.db2.gz RVDZXZSXLJIJLT-SNVBAGLBSA-N 1 2 244.302 1.205 20 0 BDADLO CC[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H](C)[S@@]1=O ZINC000571567455 323148773 /nfs/dbraw/zinc/14/87/73/323148773.db2.gz LKWMNMZMYLNOGU-FCHSOHFDSA-N 1 2 233.352 1.720 20 0 BDADLO CC[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@H](C)[S@@]1=O ZINC000571567455 323148774 /nfs/dbraw/zinc/14/87/74/323148774.db2.gz LKWMNMZMYLNOGU-FCHSOHFDSA-N 1 2 233.352 1.720 20 0 BDADLO COC(=O)C(C)(C)CNc1nc[nH+]c2c1CCC2 ZINC000301626561 323159738 /nfs/dbraw/zinc/15/97/38/323159738.db2.gz MEVYBVLMKPQLOL-UHFFFAOYSA-N 1 2 249.314 1.576 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CCCO2)c(C)c[nH+]1 ZINC000535061212 323164864 /nfs/dbraw/zinc/16/48/64/323164864.db2.gz UJYFOYFFKFYXAL-LLVKDONJSA-N 1 2 249.314 1.421 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)C2)s1 ZINC000535063250 323165017 /nfs/dbraw/zinc/16/50/17/323165017.db2.gz VUHZGWHBCIEGKS-UHFFFAOYSA-N 1 2 224.329 1.242 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)C2)s1 ZINC000535063250 323165018 /nfs/dbraw/zinc/16/50/18/323165018.db2.gz VUHZGWHBCIEGKS-UHFFFAOYSA-N 1 2 224.329 1.242 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)C(C)(C)C ZINC000563719697 323175587 /nfs/dbraw/zinc/17/55/87/323175587.db2.gz ZXSJWSRHMVXMNI-UHFFFAOYSA-N 1 2 209.293 1.599 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000563728069 323176123 /nfs/dbraw/zinc/17/61/23/323176123.db2.gz BCLRQJUKVIQORE-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO C[C@]1(F)CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000535750602 323190453 /nfs/dbraw/zinc/19/04/53/323190453.db2.gz YJIUPZLZGSMBQH-ZDUSSCGKSA-N 1 2 246.289 1.981 20 0 BDADLO CCO[C@@H](CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574939 323198043 /nfs/dbraw/zinc/19/80/43/323198043.db2.gz DDTCQDNVGYWKJP-LBPRGKRZSA-N 1 2 236.315 1.874 20 0 BDADLO COCC1(NC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000536621150 323198869 /nfs/dbraw/zinc/19/88/69/323198869.db2.gz CDMVFTLPEYXCHZ-UHFFFAOYSA-N 1 2 235.287 1.112 20 0 BDADLO OCC[N@H+](Cc1nnc(C2CC2)o1)C1CCC1 ZINC000527373800 323201813 /nfs/dbraw/zinc/20/18/13/323201813.db2.gz GVQHJNTULRMPML-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCC[N@@H+](Cc1nnc(C2CC2)o1)C1CCC1 ZINC000527373800 323201814 /nfs/dbraw/zinc/20/18/14/323201814.db2.gz GVQHJNTULRMPML-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2cnccn2)on1 ZINC000532234155 323210966 /nfs/dbraw/zinc/21/09/66/323210966.db2.gz OZQCIMOALVMFTM-VIFPVBQESA-N 1 2 232.287 1.878 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]C[C@H]2COCCN2)cs1 ZINC000530220608 323218293 /nfs/dbraw/zinc/21/82/93/323218293.db2.gz BSMQEPLKIPGYRP-SCZZXKLOSA-N 1 2 241.360 1.091 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)N1CCn2cc[nH+]c2C1 ZINC000532315050 323243828 /nfs/dbraw/zinc/24/38/28/323243828.db2.gz VDQYWHNGRWZHQG-LLVKDONJSA-N 1 2 246.314 1.517 20 0 BDADLO CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000043023313 323257433 /nfs/dbraw/zinc/25/74/33/323257433.db2.gz PCVWVOWSPWMUIJ-UHFFFAOYSA-N 1 2 236.319 1.593 20 0 BDADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nnsc1Cl ZINC000309114900 323319234 /nfs/dbraw/zinc/31/92/34/323319234.db2.gz LBUPDKQZCQYBBA-IMTBSYHQSA-N 1 2 247.751 1.849 20 0 BDADLO CC(C)(NC(=O)C1CCC(=O)CC1)c1[nH]cc[nH+]1 ZINC000563967093 323335151 /nfs/dbraw/zinc/33/51/51/323335151.db2.gz WHSWSQRIELIWKD-UHFFFAOYSA-N 1 2 249.314 1.520 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)CN1CCCC1=O ZINC000527852622 323707921 /nfs/dbraw/zinc/70/79/21/323707921.db2.gz NZPKPDAAVOZHDJ-JTQLQIEISA-N 1 2 249.314 1.513 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2cncc(C)c2)n1 ZINC000527923111 323729444 /nfs/dbraw/zinc/72/94/44/323729444.db2.gz JTLWNPRGWHIOCF-NSHDSACASA-N 1 2 245.330 1.852 20 0 BDADLO C[C@@H]1CC[C@H](c2noc(C[NH+](C)C)n2)O1 ZINC000528239557 323792608 /nfs/dbraw/zinc/79/26/08/323792608.db2.gz PHSBZDLNFGSREQ-HTQZYQBOSA-N 1 2 211.265 1.371 20 0 BDADLO NC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533081089 323824193 /nfs/dbraw/zinc/82/41/93/323824193.db2.gz DXSUIIKCPJBVOR-UHFFFAOYSA-N 1 2 248.301 1.790 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccnnc1C ZINC000677053069 487961264 /nfs/dbraw/zinc/96/12/64/487961264.db2.gz MPWIXXVUIMCRGU-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000682430074 487961534 /nfs/dbraw/zinc/96/15/34/487961534.db2.gz HIIPYYQCKYVGJR-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO CN(CC1CCCC1)c1[nH+]cnc2c1cnn2C ZINC000063992546 324004831 /nfs/dbraw/zinc/00/48/31/324004831.db2.gz DKPPPIZDPNNFQN-UHFFFAOYSA-N 1 2 245.330 1.990 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cnc(C)nc2)cn1 ZINC000537625803 324089307 /nfs/dbraw/zinc/08/93/07/324089307.db2.gz RPSAOPZGHLZAOX-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cnc(C)nc2)cn1 ZINC000537625803 324089311 /nfs/dbraw/zinc/08/93/11/324089311.db2.gz RPSAOPZGHLZAOX-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO Cc1c(C(=O)Nc2cc[nH+]cc2O)cnn1C ZINC000162900746 324135212 /nfs/dbraw/zinc/13/52/12/324135212.db2.gz GKNXANTYKMFOFM-UHFFFAOYSA-N 1 2 232.243 1.081 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@@H+]1CCCOCC1 ZINC000521191310 324178778 /nfs/dbraw/zinc/17/87/78/324178778.db2.gz HKDRTPYAQSVCSH-UHFFFAOYSA-N 1 2 223.276 1.169 20 0 BDADLO C(c1nnc(C2CC2)o1)[N@H+]1CCCOCC1 ZINC000521191310 324178780 /nfs/dbraw/zinc/17/87/80/324178780.db2.gz HKDRTPYAQSVCSH-UHFFFAOYSA-N 1 2 223.276 1.169 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528393356 324219058 /nfs/dbraw/zinc/21/90/58/324219058.db2.gz WAWLBEXAGCSNKL-BNFOFFDWSA-N 1 2 219.712 1.476 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528393356 324219065 /nfs/dbraw/zinc/21/90/65/324219065.db2.gz WAWLBEXAGCSNKL-BNFOFFDWSA-N 1 2 219.712 1.476 20 0 BDADLO O=C(NCC1COC1)Nc1ccc2[nH+]ccn2c1 ZINC000528987282 324228806 /nfs/dbraw/zinc/22/88/06/324228806.db2.gz AAOLWNYNGNQXNO-UHFFFAOYSA-N 1 2 246.270 1.102 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCc2c[nH+]cn2C)[C@@H]1C1CC1 ZINC000529006247 324231249 /nfs/dbraw/zinc/23/12/49/324231249.db2.gz BXXNIRCVKBYNSL-TVYUQYBPSA-N 1 2 247.342 1.371 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529576661 324348917 /nfs/dbraw/zinc/34/89/17/324348917.db2.gz IIFNLGUJLBRPMK-GRYCIOLGSA-N 1 2 247.342 1.515 20 0 BDADLO Cc1nc(C(=O)Nc2cc(C)[nH+]cc2C)co1 ZINC000669957101 487962859 /nfs/dbraw/zinc/96/28/59/487962859.db2.gz OCPUOHSCLBKDSX-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1noc(C2C[NH+](Cc3ccc(F)cn3)C2)n1 ZINC000529599870 324360120 /nfs/dbraw/zinc/36/01/20/324360120.db2.gz IUPNPEBPHSQIGL-UHFFFAOYSA-N 1 2 248.261 1.512 20 0 BDADLO Cn1ccnc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648689 324371502 /nfs/dbraw/zinc/37/15/02/324371502.db2.gz GUJJKCOFEBGPDE-UHFFFAOYSA-N 1 2 231.299 1.688 20 0 BDADLO Cn1cc[nH+]c1CN1CC(Cc2ccco2)C1 ZINC000529648689 324371507 /nfs/dbraw/zinc/37/15/07/324371507.db2.gz GUJJKCOFEBGPDE-UHFFFAOYSA-N 1 2 231.299 1.688 20 0 BDADLO Cc1ncccc1CNC(=O)CCn1cc[nH+]c1 ZINC000529884677 324429239 /nfs/dbraw/zinc/42/92/39/324429239.db2.gz IGGAVAQZHLWYRL-UHFFFAOYSA-N 1 2 244.298 1.293 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000539561050 324844926 /nfs/dbraw/zinc/84/49/26/324844926.db2.gz XSAJCUPHVPWODX-QWRGUYRKSA-N 1 2 233.315 1.703 20 0 BDADLO O=C(NCC(F)(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000541076742 324946233 /nfs/dbraw/zinc/94/62/33/324946233.db2.gz AWSABBRVMZJDDE-UHFFFAOYSA-N 1 2 248.208 1.012 20 0 BDADLO C[C@@]1(C(=O)Nc2cccc3[nH+]ccn32)CCOC1 ZINC000542510609 325032634 /nfs/dbraw/zinc/03/26/34/325032634.db2.gz HVXDNVACCSJZFU-CYBMUJFWSA-N 1 2 245.282 1.699 20 0 BDADLO C[C@]1(C(=O)Nc2cccc3[nH+]ccn32)CCOC1 ZINC000542510614 325032764 /nfs/dbraw/zinc/03/27/64/325032764.db2.gz HVXDNVACCSJZFU-ZDUSSCGKSA-N 1 2 245.282 1.699 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC=CCC1 ZINC000544406976 325141101 /nfs/dbraw/zinc/14/11/01/325141101.db2.gz WYIXGLNMJBTVPF-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1ccncc1 ZINC000544600723 325152045 /nfs/dbraw/zinc/15/20/45/325152045.db2.gz IGZNANGRGHDSNO-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@@H]2C2CC2)n1 ZINC000546553562 325287168 /nfs/dbraw/zinc/28/71/68/325287168.db2.gz BWJHICVXZHTPJX-GHMZBOCLSA-N 1 2 244.298 1.907 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(CCC2CC2)n1 ZINC000546550536 325287241 /nfs/dbraw/zinc/28/72/41/325287241.db2.gz UJWNGIKEAJGOML-UHFFFAOYSA-N 1 2 232.287 1.737 20 0 BDADLO Cn1nncc1C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000546634505 325296993 /nfs/dbraw/zinc/29/69/93/325296993.db2.gz XXUAWCGATBDVTM-NSHDSACASA-N 1 2 248.261 1.178 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1(F)F ZINC000547308521 325338283 /nfs/dbraw/zinc/33/82/83/325338283.db2.gz RRLKYYVTOAQMSE-APPZFPTMSA-N 1 2 241.241 1.168 20 0 BDADLO CC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539829 325371671 /nfs/dbraw/zinc/37/16/71/325371671.db2.gz UCPRMXVAKGUDPW-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO CCCN(CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC000547603407 325373850 /nfs/dbraw/zinc/37/38/50/325373850.db2.gz CSFCIXJVBHIYJK-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(C)(C)CC1 ZINC000134882459 325380843 /nfs/dbraw/zinc/38/08/43/325380843.db2.gz BGZRYBOBRYVEJM-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(C)(C)CC1 ZINC000134882459 325380845 /nfs/dbraw/zinc/38/08/45/325380845.db2.gz BGZRYBOBRYVEJM-UHFFFAOYSA-N 1 2 236.319 1.694 20 0 BDADLO COCc1noc([C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000547770109 325391998 /nfs/dbraw/zinc/39/19/98/325391998.db2.gz KBQGRPWXEVBGCZ-HRDYMLBCSA-N 1 2 225.292 1.760 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000547770109 325391999 /nfs/dbraw/zinc/39/19/99/325391999.db2.gz KBQGRPWXEVBGCZ-HRDYMLBCSA-N 1 2 225.292 1.760 20 0 BDADLO CCCC[C@@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC ZINC000135255139 325403408 /nfs/dbraw/zinc/40/34/08/325403408.db2.gz CQJTUJQGQZNXKQ-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548191964 325440335 /nfs/dbraw/zinc/44/03/35/325440335.db2.gz SEFHIDWJZRCMOG-PHIMTYICSA-N 1 2 235.331 1.467 20 0 BDADLO Cc1nc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)o1 ZINC000551165728 325549584 /nfs/dbraw/zinc/54/95/84/325549584.db2.gz XOEBMSAXPOGKKF-UHFFFAOYSA-N 1 2 246.270 1.185 20 0 BDADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(O)c1 ZINC000139751147 325578060 /nfs/dbraw/zinc/57/80/60/325578060.db2.gz JDQRLQQTIZSKPY-SECBINFHSA-N 1 2 245.282 1.915 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248368290 325603747 /nfs/dbraw/zinc/60/37/47/325603747.db2.gz VAOLWTUZFWVBPH-JZYVYDRUSA-N 1 2 219.288 1.115 20 0 BDADLO COc1ccccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000552916413 325669588 /nfs/dbraw/zinc/66/95/88/325669588.db2.gz NQTMNSJVFGUOIK-UHFFFAOYSA-N 1 2 248.326 1.976 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000252722919 325692980 /nfs/dbraw/zinc/69/29/80/325692980.db2.gz SBZBMDPAWDULGS-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000553535208 325695563 /nfs/dbraw/zinc/69/55/63/325695563.db2.gz WZXDUETZPUCKFL-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO C[C@H]1CCCCCN1C(=O)Cc1c[nH+]cn1C ZINC000554506269 325722690 /nfs/dbraw/zinc/72/26/90/325722690.db2.gz FPMASUCSMXNXRP-NSHDSACASA-N 1 2 235.331 1.754 20 0 BDADLO Cc1cnc(NC(=O)Cn2cc[nH+]c2)s1 ZINC000555218430 325749727 /nfs/dbraw/zinc/74/97/27/325749727.db2.gz GULSVBOAHXVQAK-UHFFFAOYSA-N 1 2 222.273 1.287 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H](F)C1 ZINC000564461849 325793441 /nfs/dbraw/zinc/79/34/41/325793441.db2.gz KZTCUZUTODMRTG-LLVKDONJSA-N 1 2 247.273 1.908 20 0 BDADLO CC(=O)NCCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000564906725 325824911 /nfs/dbraw/zinc/82/49/11/325824911.db2.gz YWAOKCNDRHCDNO-UHFFFAOYSA-N 1 2 236.319 1.172 20 0 BDADLO C[C@H](CC(=O)N[C@H]1C[C@@H]1C(F)F)n1cc[nH+]c1 ZINC000565088403 325855850 /nfs/dbraw/zinc/85/58/50/325855850.db2.gz CTIUGRMWFPATEI-VGMNWLOBSA-N 1 2 243.257 1.604 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C(F)F ZINC000565373616 325903229 /nfs/dbraw/zinc/90/32/29/325903229.db2.gz QGZKOHLNHSNXFD-BDAKNGLRSA-N 1 2 234.290 1.487 20 0 BDADLO CC(C)C(C)(C)NC(=O)NCc1c[nH+]cn1C ZINC000565749254 325950852 /nfs/dbraw/zinc/95/08/52/325950852.db2.gz UPIHMEDGVREKEZ-UHFFFAOYSA-N 1 2 238.335 1.654 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC12CCC(CC1)CC2 ZINC000565759077 325953061 /nfs/dbraw/zinc/95/30/61/325953061.db2.gz BKTZAFMIWJIUGF-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO C[C@@H]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000565911732 325973369 /nfs/dbraw/zinc/97/33/69/325973369.db2.gz LWPICKWKDNVNBM-TZMCWYRMSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1ccc2[nH+]cc(C[NH2+]CCCC(=O)[O-])n2c1 ZINC000566226874 326018327 /nfs/dbraw/zinc/01/83/27/326018327.db2.gz PWMYUDBJQRSAEI-UHFFFAOYSA-N 1 2 247.298 1.597 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@H]2C[C@H]2C(C)C)c[nH+]1 ZINC000566280935 326028466 /nfs/dbraw/zinc/02/84/66/326028466.db2.gz WJLNZUNSWIWUBD-QWRGUYRKSA-N 1 2 248.330 1.106 20 0 BDADLO CC[C@@H](O)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566331040 326034414 /nfs/dbraw/zinc/03/44/14/326034414.db2.gz LHBZQUATJQUHDK-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO C[C@H](CC(=O)N1CC(C)C1)n1cc[nH+]c1 ZINC000566340202 326034973 /nfs/dbraw/zinc/03/49/73/326034973.db2.gz IPMWQPPYYBWKLE-SNVBAGLBSA-N 1 2 207.277 1.313 20 0 BDADLO CC[C@@H](O)CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000566365374 326038093 /nfs/dbraw/zinc/03/80/93/326038093.db2.gz RZHBDLILLRCUEF-SECBINFHSA-N 1 2 239.319 1.230 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCCO1 ZINC000566448860 326049305 /nfs/dbraw/zinc/04/93/05/326049305.db2.gz FKKCYRNZWZCSED-JTQLQIEISA-N 1 2 237.303 1.532 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCCO1 ZINC000566448860 326049306 /nfs/dbraw/zinc/04/93/06/326049306.db2.gz FKKCYRNZWZCSED-JTQLQIEISA-N 1 2 237.303 1.532 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000566541523 326062551 /nfs/dbraw/zinc/06/25/51/326062551.db2.gz FYOZYQLESHKIRE-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000566541523 326062553 /nfs/dbraw/zinc/06/25/53/326062553.db2.gz FYOZYQLESHKIRE-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@]1(O)CCCC1(C)C ZINC000566572291 326065889 /nfs/dbraw/zinc/06/58/89/326065889.db2.gz QPSWLVAFCRAXQR-CQSZACIVSA-N 1 2 249.358 1.868 20 0 BDADLO CC(=O)N1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000566748670 326080353 /nfs/dbraw/zinc/08/03/53/326080353.db2.gz REURMOHWEIBALT-UHFFFAOYSA-N 1 2 245.735 1.117 20 0 BDADLO Cc1nc(NCc2cnc(C3CC3)o2)cc[nH+]1 ZINC000567072756 326111434 /nfs/dbraw/zinc/11/14/34/326111434.db2.gz KOMHOYXWKSWUCQ-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CC(C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682505631 487971614 /nfs/dbraw/zinc/97/16/14/487971614.db2.gz ZBMXXYIWGZWELD-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO COc1ccc[nH+]c1NC[C@](C)(O)C(C)C ZINC000309766849 326167695 /nfs/dbraw/zinc/16/76/95/326167695.db2.gz NVRALHHDYZCSSG-LBPRGKRZSA-N 1 2 224.304 1.909 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CO1 ZINC000567355603 326173168 /nfs/dbraw/zinc/17/31/68/326173168.db2.gz IEAKBNRMGYKOSA-KXUCPTDWSA-N 1 2 249.314 1.123 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CO1 ZINC000567355603 326173170 /nfs/dbraw/zinc/17/31/70/326173170.db2.gz IEAKBNRMGYKOSA-KXUCPTDWSA-N 1 2 249.314 1.123 20 0 BDADLO CC(=O)CSCC[N@@H+]1CCO[C@H](C)C1 ZINC000567449997 326194893 /nfs/dbraw/zinc/19/48/93/326194893.db2.gz YFHDGGNCCLFNLF-SNVBAGLBSA-N 1 2 217.334 1.029 20 0 BDADLO CC(=O)CSCC[N@H+]1CCO[C@H](C)C1 ZINC000567449997 326194897 /nfs/dbraw/zinc/19/48/97/326194897.db2.gz YFHDGGNCCLFNLF-SNVBAGLBSA-N 1 2 217.334 1.029 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000567486098 326202776 /nfs/dbraw/zinc/20/27/76/326202776.db2.gz ZVQRBQKQOOSRHK-KXGXSXBTSA-N 1 2 233.315 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000567486098 326202778 /nfs/dbraw/zinc/20/27/78/326202778.db2.gz ZVQRBQKQOOSRHK-KXGXSXBTSA-N 1 2 233.315 1.503 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC1CCC1 ZINC000155626144 326204189 /nfs/dbraw/zinc/20/41/89/326204189.db2.gz LOUBIZGLQUDVKU-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccnc1 ZINC000155747467 326210698 /nfs/dbraw/zinc/21/06/98/326210698.db2.gz OXFURCAKYUODCX-LLVKDONJSA-N 1 2 249.358 1.817 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccnc1 ZINC000155747467 326210699 /nfs/dbraw/zinc/21/06/99/326210699.db2.gz OXFURCAKYUODCX-LLVKDONJSA-N 1 2 249.358 1.817 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CC(F)F ZINC000156155026 326220512 /nfs/dbraw/zinc/22/05/12/326220512.db2.gz JXAYYNYHCUTZPE-SNAWJCMRSA-N 1 2 243.257 1.640 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000567604306 326227241 /nfs/dbraw/zinc/22/72/41/326227241.db2.gz OABHTHBYOPHTCZ-YFKTTZPYSA-N 1 2 248.330 1.369 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC1 ZINC000567624428 326231597 /nfs/dbraw/zinc/23/15/97/326231597.db2.gz OWILHNPTFLPKKW-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC1 ZINC000567624428 326231600 /nfs/dbraw/zinc/23/16/00/326231600.db2.gz OWILHNPTFLPKKW-VIFPVBQESA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H](O)[C@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000567695736 326246789 /nfs/dbraw/zinc/24/67/89/326246789.db2.gz BAZFXSXQYMBTMY-WDEREUQCSA-N 1 2 246.314 1.126 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000157434247 326274627 /nfs/dbraw/zinc/27/46/27/326274627.db2.gz AMVCSEYPUBDOLJ-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000157434247 326274629 /nfs/dbraw/zinc/27/46/29/326274629.db2.gz AMVCSEYPUBDOLJ-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000567975567 326289700 /nfs/dbraw/zinc/28/97/00/326289700.db2.gz WOXRHTHDTZWMPG-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@H](C(=O)NCc1nccs1)[NH+]1CC(C)C1 ZINC000568193900 326324369 /nfs/dbraw/zinc/32/43/69/326324369.db2.gz YAEULNFLWGESCS-SECBINFHSA-N 1 2 239.344 1.100 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](F)C1 ZINC000568222876 326328775 /nfs/dbraw/zinc/32/87/75/326328775.db2.gz DYBTXZGEBNIDHZ-UWVGGRQHSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](F)C1 ZINC000568222876 326328776 /nfs/dbraw/zinc/32/87/76/326328776.db2.gz DYBTXZGEBNIDHZ-UWVGGRQHSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](F)C1 ZINC000568222877 326329027 /nfs/dbraw/zinc/32/90/27/326329027.db2.gz DYBTXZGEBNIDHZ-VHSXEESVSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](F)C1 ZINC000568222877 326329029 /nfs/dbraw/zinc/32/90/29/326329029.db2.gz DYBTXZGEBNIDHZ-VHSXEESVSA-N 1 2 239.294 1.549 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1C[C@H]1c1ccco1 ZINC000568248288 326334322 /nfs/dbraw/zinc/33/43/22/326334322.db2.gz MHOIMZKESJJDLK-HTQZYQBOSA-N 1 2 246.270 1.628 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1C[C@H]1c1ccco1 ZINC000568248288 326334323 /nfs/dbraw/zinc/33/43/23/326334323.db2.gz MHOIMZKESJJDLK-HTQZYQBOSA-N 1 2 246.270 1.628 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)no1 ZINC000568620100 326367948 /nfs/dbraw/zinc/36/79/48/326367948.db2.gz FJKJHCRPKDSITG-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)no1 ZINC000568620100 326367951 /nfs/dbraw/zinc/36/79/51/326367951.db2.gz FJKJHCRPKDSITG-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+](Cc1cc[nH+]c(N)c1)C1CCC1 ZINC000568663565 326371963 /nfs/dbraw/zinc/37/19/63/326371963.db2.gz ANNIFFGRVWTWEA-VIFPVBQESA-N 1 2 249.314 1.322 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+](Cc1cc[nH+]c(N)c1)C1CCC1 ZINC000568663565 326371965 /nfs/dbraw/zinc/37/19/65/326371965.db2.gz ANNIFFGRVWTWEA-VIFPVBQESA-N 1 2 249.314 1.322 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1O)c1csnn1 ZINC000568779943 326377332 /nfs/dbraw/zinc/37/73/32/326377332.db2.gz SYDZNOJIXNELNA-SSDOTTSWSA-N 1 2 236.300 1.490 20 0 BDADLO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000568857967 326379590 /nfs/dbraw/zinc/37/95/90/326379590.db2.gz XHDYCPNIGHBZGI-SMDDNHRTSA-N 1 2 245.326 1.664 20 0 BDADLO C[C@@H](CC(=O)NCCC(C)(C)O)n1cc[nH+]c1 ZINC000568991291 326385258 /nfs/dbraw/zinc/38/52/58/326385258.db2.gz RHQGXCCSNOMQAT-JTQLQIEISA-N 1 2 239.319 1.111 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000569125036 326392066 /nfs/dbraw/zinc/39/20/66/326392066.db2.gz RWENCLUVJADHSA-VHSXEESVSA-N 1 2 239.294 1.360 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC12CC2 ZINC000569321346 326399951 /nfs/dbraw/zinc/39/99/51/326399951.db2.gz XYWNEZREMYPTLU-WDEREUQCSA-N 1 2 248.330 1.371 20 0 BDADLO C[C@@H]1CC[NH2+]C[C@@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000572826866 326412989 /nfs/dbraw/zinc/41/29/89/326412989.db2.gz GPIZIOXVODJACJ-BDAKNGLRSA-N 1 2 238.335 1.199 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+](C)CCOC(C)(C)C ZINC000682531079 487977434 /nfs/dbraw/zinc/97/74/34/487977434.db2.gz XQWXJIXKOVFUJQ-SECBINFHSA-N 1 2 241.339 1.018 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC=CCC1 ZINC000682527951 487977574 /nfs/dbraw/zinc/97/75/74/487977574.db2.gz WWXBGTXCPBRHRK-NSHDSACASA-N 1 2 231.299 1.234 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ccco1 ZINC000083977438 487977798 /nfs/dbraw/zinc/97/77/98/487977798.db2.gz RKEUBZCRJAEEGD-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+](C)CCOC(C)(C)C ZINC000682531079 487977429 /nfs/dbraw/zinc/97/74/29/487977429.db2.gz XQWXJIXKOVFUJQ-SECBINFHSA-N 1 2 241.339 1.018 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC000682533163 487980016 /nfs/dbraw/zinc/98/00/16/487980016.db2.gz WDTGZIZRMRWJEM-VHSXEESVSA-N 1 2 246.318 1.325 20 0 BDADLO O[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC(F)(F)C1 ZINC000682542730 487980652 /nfs/dbraw/zinc/98/06/52/487980652.db2.gz IIKBWMOUHRWYIJ-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC(F)(F)C1 ZINC000682542730 487980657 /nfs/dbraw/zinc/98/06/57/487980657.db2.gz IIKBWMOUHRWYIJ-UWVGGRQHSA-N 1 2 235.274 1.257 20 0 BDADLO CCCCS(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000677153961 487985404 /nfs/dbraw/zinc/98/54/04/487985404.db2.gz YWVRQONTLPTYDQ-NSHDSACASA-N 1 2 248.392 1.142 20 0 BDADLO CCCCS(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000677153961 487985408 /nfs/dbraw/zinc/98/54/08/487985408.db2.gz YWVRQONTLPTYDQ-NSHDSACASA-N 1 2 248.392 1.142 20 0 BDADLO CCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220523213 487988751 /nfs/dbraw/zinc/98/87/51/487988751.db2.gz XWEPJUQWZNEMGJ-VIFPVBQESA-N 1 2 221.304 1.431 20 0 BDADLO CCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220523213 487988757 /nfs/dbraw/zinc/98/87/57/487988757.db2.gz XWEPJUQWZNEMGJ-VIFPVBQESA-N 1 2 221.304 1.431 20 0 BDADLO CCC[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000665690210 487988538 /nfs/dbraw/zinc/98/85/38/487988538.db2.gz AMCGZTYVKDJRMV-MRVPVSSYSA-N 1 2 222.292 1.881 20 0 BDADLO CCC[C@@H](C)Nc1[nH+]cnc2c1OCCN2 ZINC000665690210 487988542 /nfs/dbraw/zinc/98/85/42/487988542.db2.gz AMCGZTYVKDJRMV-MRVPVSSYSA-N 1 2 222.292 1.881 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC=CCC2)nc[nH+]1 ZINC000665710563 487996745 /nfs/dbraw/zinc/99/67/45/487996745.db2.gz DOGVWAUNKYANJR-SNVBAGLBSA-N 1 2 234.303 1.036 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC=CCC2)[nH+]cn1 ZINC000665710563 487996751 /nfs/dbraw/zinc/99/67/51/487996751.db2.gz DOGVWAUNKYANJR-SNVBAGLBSA-N 1 2 234.303 1.036 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC2(CC2)C1 ZINC000668603966 487997316 /nfs/dbraw/zinc/99/73/16/487997316.db2.gz LWPDLNWOLWCQGZ-SNVBAGLBSA-N 1 2 233.315 1.996 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334519989 488006481 /nfs/dbraw/zinc/00/64/81/488006481.db2.gz UOCXIHGSGJSSDD-NSHDSACASA-N 1 2 221.279 1.898 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334519989 488006483 /nfs/dbraw/zinc/00/64/83/488006483.db2.gz UOCXIHGSGJSSDD-NSHDSACASA-N 1 2 221.279 1.898 20 0 BDADLO CCN1OC[C@@H]([N@H+](CC)Cc2ccccc2)C1=O ZINC000682675868 488011633 /nfs/dbraw/zinc/01/16/33/488011633.db2.gz OLOXLQVFGSPYJW-CYBMUJFWSA-N 1 2 248.326 1.671 20 0 BDADLO CCN1OC[C@@H]([N@@H+](CC)Cc2ccccc2)C1=O ZINC000682675868 488011639 /nfs/dbraw/zinc/01/16/39/488011639.db2.gz OLOXLQVFGSPYJW-CYBMUJFWSA-N 1 2 248.326 1.671 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)C[C@H](C)O1 ZINC000667463925 488014264 /nfs/dbraw/zinc/01/42/64/488014264.db2.gz CNGBVDDHOVQKSZ-TXEJJXNPSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)C[C@H](C)O1 ZINC000667463925 488014268 /nfs/dbraw/zinc/01/42/68/488014268.db2.gz CNGBVDDHOVQKSZ-TXEJJXNPSA-N 1 2 249.358 1.902 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000159255555 488014694 /nfs/dbraw/zinc/01/46/94/488014694.db2.gz QGTRBHHBWIADOK-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000159255555 488014701 /nfs/dbraw/zinc/01/47/01/488014701.db2.gz QGTRBHHBWIADOK-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000677333420 488018760 /nfs/dbraw/zinc/01/87/60/488018760.db2.gz YIJDJCVNDCKCGN-SECBINFHSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@H](NC(=O)NCc1[nH+]ccn1C)C1CCC1 ZINC000677333421 488019057 /nfs/dbraw/zinc/01/90/57/488019057.db2.gz YIJDJCVNDCKCGN-VIFPVBQESA-N 1 2 236.319 1.408 20 0 BDADLO O=C1C[N@H+](Cc2cc3ccncc3s2)CCN1 ZINC000667475354 488020624 /nfs/dbraw/zinc/02/06/24/488020624.db2.gz MWHRLDXBVVXAFM-UHFFFAOYSA-N 1 2 247.323 1.228 20 0 BDADLO O=C1C[N@@H+](Cc2cc3ccncc3s2)CCN1 ZINC000667475354 488020630 /nfs/dbraw/zinc/02/06/30/488020630.db2.gz MWHRLDXBVVXAFM-UHFFFAOYSA-N 1 2 247.323 1.228 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]c(C)c1)C1CCC1 ZINC000668636916 488034501 /nfs/dbraw/zinc/03/45/01/488034501.db2.gz YZHDKRBMEBCXAT-LBPRGKRZSA-N 1 2 234.299 1.566 20 0 BDADLO CCn1cnc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000668635680 488034520 /nfs/dbraw/zinc/03/45/20/488034520.db2.gz NPTVONHQLRQVAF-UHFFFAOYSA-N 1 2 230.271 1.281 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nccn2C)c1 ZINC000682779291 488038334 /nfs/dbraw/zinc/03/83/34/488038334.db2.gz XCQMFGPGWATVIS-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nccn2C)c1 ZINC000682779291 488038340 /nfs/dbraw/zinc/03/83/40/488038340.db2.gz XCQMFGPGWATVIS-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1ccc(CN(C)Cc2[nH+]ccn2C)c1 ZINC000682779291 488038343 /nfs/dbraw/zinc/03/83/43/488038343.db2.gz XCQMFGPGWATVIS-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO c1c(C[N@@H+]2CCCOCC2)nnn1C1CCC1 ZINC000667532657 488040415 /nfs/dbraw/zinc/04/04/15/488040415.db2.gz UUTXJJXWNVBQGA-UHFFFAOYSA-N 1 2 236.319 1.225 20 0 BDADLO c1c(C[N@H+]2CCCOCC2)nnn1C1CCC1 ZINC000667532657 488040420 /nfs/dbraw/zinc/04/04/20/488040420.db2.gz UUTXJJXWNVBQGA-UHFFFAOYSA-N 1 2 236.319 1.225 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cn[nH]c1 ZINC000677471374 488043601 /nfs/dbraw/zinc/04/36/01/488043601.db2.gz LWBVVFSYPSCBCY-SNVBAGLBSA-N 1 2 247.302 1.264 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667553426 488043752 /nfs/dbraw/zinc/04/37/52/488043752.db2.gz QAUYGBSRSZVAOI-SECBINFHSA-N 1 2 221.304 1.383 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667553426 488043757 /nfs/dbraw/zinc/04/37/57/488043757.db2.gz QAUYGBSRSZVAOI-SECBINFHSA-N 1 2 221.304 1.383 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668646135 488049843 /nfs/dbraw/zinc/04/98/43/488049843.db2.gz DFXSHAVVHJURSA-VHSXEESVSA-N 1 2 247.342 1.677 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668646135 488049852 /nfs/dbraw/zinc/04/98/52/488049852.db2.gz DFXSHAVVHJURSA-VHSXEESVSA-N 1 2 247.342 1.677 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC1(C)C ZINC000668647038 488051892 /nfs/dbraw/zinc/05/18/92/488051892.db2.gz NQJLWODFBIKCMW-HBNTYKKESA-N 1 2 247.342 1.686 20 0 BDADLO CCOc1cccc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000682842733 488052238 /nfs/dbraw/zinc/05/22/38/488052238.db2.gz QJNCGDHCDPYDID-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CO[C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC000672337345 488055819 /nfs/dbraw/zinc/05/58/19/488055819.db2.gz LYHZNNNTVULWDZ-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO Cc1[nH+]cc(CN(C)CCn2cccn2)n1C ZINC000667627298 488063125 /nfs/dbraw/zinc/06/31/25/488063125.db2.gz XFOFOKAWBRNICK-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO CC[C@@H](NC(=O)[C@@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000140645676 488063815 /nfs/dbraw/zinc/06/38/15/488063815.db2.gz BOAXLTSVKRXKNF-ZJUUUORDSA-N 1 2 237.303 1.546 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000667640567 488066934 /nfs/dbraw/zinc/06/69/34/488066934.db2.gz XRIWIZRFSFIVMQ-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000667640567 488066937 /nfs/dbraw/zinc/06/69/37/488066937.db2.gz XRIWIZRFSFIVMQ-NEPJUHHUSA-N 1 2 237.347 1.902 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682492583 488071822 /nfs/dbraw/zinc/07/18/22/488071822.db2.gz BCANVJBXQWWNMC-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)[NH+](C)C ZINC000682955545 488072775 /nfs/dbraw/zinc/07/27/75/488072775.db2.gz GPTUWOGXBHRFMD-VIFPVBQESA-N 1 2 246.314 1.760 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)o1 ZINC000685570382 488078717 /nfs/dbraw/zinc/07/87/17/488078717.db2.gz HUXNKJSMLXSVSN-UWVGGRQHSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)o1 ZINC000685570382 488078720 /nfs/dbraw/zinc/07/87/20/488078720.db2.gz HUXNKJSMLXSVSN-UWVGGRQHSA-N 1 2 237.347 1.816 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cn(C)nn2)c1 ZINC000682998970 488081275 /nfs/dbraw/zinc/08/12/75/488081275.db2.gz DCPQCRKQBZUBAB-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cn(C)nn2)c1 ZINC000682998970 488081277 /nfs/dbraw/zinc/08/12/77/488081277.db2.gz DCPQCRKQBZUBAB-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO Cc1ccnc(C[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000683002919 488085216 /nfs/dbraw/zinc/08/52/16/488085216.db2.gz JPWLKPBSUXTNFC-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000683002919 488085221 /nfs/dbraw/zinc/08/52/21/488085221.db2.gz JPWLKPBSUXTNFC-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000683024064 488099145 /nfs/dbraw/zinc/09/91/45/488099145.db2.gz IQAMJEUHWPTVKD-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000683024064 488099150 /nfs/dbraw/zinc/09/91/50/488099150.db2.gz IQAMJEUHWPTVKD-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO FC(F)C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000677732076 488110023 /nfs/dbraw/zinc/11/00/23/488110023.db2.gz YFCVXLWNXJENIC-JTQLQIEISA-N 1 2 249.301 1.769 20 0 BDADLO O[C@@H]1C[N@H+](CCc2ccccc2)CC(F)(F)C1 ZINC000682545032 488111366 /nfs/dbraw/zinc/11/13/66/488111366.db2.gz ZDYYRXSBYOHNRJ-LBPRGKRZSA-N 1 2 241.281 1.931 20 0 BDADLO O[C@@H]1C[N@@H+](CCc2ccccc2)CC(F)(F)C1 ZINC000682545032 488111373 /nfs/dbraw/zinc/11/13/73/488111373.db2.gz ZDYYRXSBYOHNRJ-LBPRGKRZSA-N 1 2 241.281 1.931 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2scnc2C)n1 ZINC000657349251 488115757 /nfs/dbraw/zinc/11/57/57/488115757.db2.gz GVVPGUQPUWHVMK-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1(CO)CCCC1 ZINC000053071018 488119462 /nfs/dbraw/zinc/11/94/62/488119462.db2.gz YHZLOISHCWNGON-UHFFFAOYSA-N 1 2 247.302 1.080 20 0 BDADLO OCC[N@H+](CC(F)F)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403631580 488130088 /nfs/dbraw/zinc/13/00/88/488130088.db2.gz NHMYKDGKGPWUIO-OUAUKWLOSA-N 1 2 233.302 1.982 20 0 BDADLO OCC[N@@H+](CC(F)F)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403631580 488130093 /nfs/dbraw/zinc/13/00/93/488130093.db2.gz NHMYKDGKGPWUIO-OUAUKWLOSA-N 1 2 233.302 1.982 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCn2cncc2C1 ZINC000685850126 488133408 /nfs/dbraw/zinc/13/34/08/488133408.db2.gz MBCGWALNGMCHDZ-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCn2cncc2C1 ZINC000685850126 488133410 /nfs/dbraw/zinc/13/34/10/488133410.db2.gz MBCGWALNGMCHDZ-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1oc(C)nc1C ZINC000685561281 487541938 /nfs/dbraw/zinc/54/19/38/487541938.db2.gz CREIZZZWBCIGBE-UHFFFAOYSA-N 1 2 239.319 1.202 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1oc(C)nc1C ZINC000685561281 487541942 /nfs/dbraw/zinc/54/19/42/487541942.db2.gz CREIZZZWBCIGBE-UHFFFAOYSA-N 1 2 239.319 1.202 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCOCC2(C)C)o1 ZINC000685561964 487544032 /nfs/dbraw/zinc/54/40/32/487544032.db2.gz NERZSLIKABEWBA-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCOCC2(C)C)o1 ZINC000685561964 487544038 /nfs/dbraw/zinc/54/40/38/487544038.db2.gz NERZSLIKABEWBA-UHFFFAOYSA-N 1 2 224.304 1.902 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cccc(OC)c1F ZINC000192979883 487546132 /nfs/dbraw/zinc/54/61/32/487546132.db2.gz VJQUJLBABKKOJO-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cccc(OC)c1F ZINC000192979883 487546137 /nfs/dbraw/zinc/54/61/37/487546137.db2.gz VJQUJLBABKKOJO-UHFFFAOYSA-N 1 2 240.278 1.142 20 0 BDADLO CCO[C@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000685565323 487546866 /nfs/dbraw/zinc/54/68/66/487546866.db2.gz GCYUVJJTJWUVNW-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO CCO[C@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000685565323 487546873 /nfs/dbraw/zinc/54/68/73/487546873.db2.gz GCYUVJJTJWUVNW-KOLCDFICSA-N 1 2 239.319 1.940 20 0 BDADLO COCC(C)(C)C[N@H+](C)Cc1noc(C)n1 ZINC000668795814 487550255 /nfs/dbraw/zinc/55/02/55/487550255.db2.gz HPYMBXPXMJBHDB-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO COCC(C)(C)C[N@@H+](C)Cc1noc(C)n1 ZINC000668795814 487550261 /nfs/dbraw/zinc/55/02/61/487550261.db2.gz HPYMBXPXMJBHDB-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO CO[C@@H](C)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000666132559 487531014 /nfs/dbraw/zinc/53/10/14/487531014.db2.gz XXLPMWXSPDSVNE-VIFPVBQESA-N 1 2 248.286 1.491 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cn[nH]c1 ZINC000673927249 487481567 /nfs/dbraw/zinc/48/15/67/487481567.db2.gz QWVAEDUTRNPESM-VIFPVBQESA-N 1 2 238.335 1.145 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927249 487481577 /nfs/dbraw/zinc/48/15/77/487481577.db2.gz QWVAEDUTRNPESM-VIFPVBQESA-N 1 2 238.335 1.145 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cn[nH]c1 ZINC000673927247 487482202 /nfs/dbraw/zinc/48/22/02/487482202.db2.gz QWVAEDUTRNPESM-SECBINFHSA-N 1 2 238.335 1.145 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927247 487482206 /nfs/dbraw/zinc/48/22/06/487482206.db2.gz QWVAEDUTRNPESM-SECBINFHSA-N 1 2 238.335 1.145 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(C)n2)on1 ZINC000086136248 487483336 /nfs/dbraw/zinc/48/33/36/487483336.db2.gz JSXHYVPTZOHFJI-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1ncc(C)s1)CC2 ZINC000679869038 487477821 /nfs/dbraw/zinc/47/78/21/487477821.db2.gz OYEMESKZSQQHHI-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)C1CC1)CC2 ZINC000679879199 487480264 /nfs/dbraw/zinc/48/02/64/487480264.db2.gz QNIFXNFSHBVPHD-JTQLQIEISA-N 1 2 248.330 1.515 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1nc2ccccc2o1 ZINC000679914637 487485353 /nfs/dbraw/zinc/48/53/53/487485353.db2.gz FCVYITYFSWWRAP-UHFFFAOYSA-N 1 2 247.298 1.444 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1nccc(N)n1 ZINC000679946015 487499834 /nfs/dbraw/zinc/49/98/34/487499834.db2.gz WBTROBCCVNSYCP-JTQLQIEISA-N 1 2 243.314 1.613 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674014126 487501400 /nfs/dbraw/zinc/50/14/00/487501400.db2.gz YLSHZHNQCYLVMN-KCJUWKMLSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674014126 487501402 /nfs/dbraw/zinc/50/14/02/487501402.db2.gz YLSHZHNQCYLVMN-KCJUWKMLSA-N 1 2 222.263 1.446 20 0 BDADLO CCC1(C)CN(Cc2c[nH+]c(C)n2C)C1 ZINC000668233510 487505140 /nfs/dbraw/zinc/50/51/40/487505140.db2.gz AIMHYPTVVMKMER-UHFFFAOYSA-N 1 2 207.321 1.960 20 0 BDADLO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000094088202 487512077 /nfs/dbraw/zinc/51/20/77/487512077.db2.gz SZHMXCFAUGLDAY-CYBMUJFWSA-N 1 2 228.299 1.769 20 0 BDADLO CCC1(CC)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000294076685 488142404 /nfs/dbraw/zinc/14/24/04/488142404.db2.gz HRJWADUOYUJEGW-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CCC1(CC)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000294076685 488142411 /nfs/dbraw/zinc/14/24/11/488142411.db2.gz HRJWADUOYUJEGW-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H](c1cnccn1)N(C)Cc1[nH]cc[nH+]1 ZINC000685412187 487516555 /nfs/dbraw/zinc/51/65/55/487516555.db2.gz UNMLTXMMNHZZGL-SECBINFHSA-N 1 2 217.276 1.393 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000685449236 487525694 /nfs/dbraw/zinc/52/56/94/487525694.db2.gz TYBJHGAJEOZIAQ-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000685449236 487525696 /nfs/dbraw/zinc/52/56/96/487525696.db2.gz TYBJHGAJEOZIAQ-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cn2ccccc2n1 ZINC000674753196 487613284 /nfs/dbraw/zinc/61/32/84/487613284.db2.gz ZCTUHHQGNRIJRU-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cn2ccccc2n1 ZINC000674753196 487613288 /nfs/dbraw/zinc/61/32/88/487613288.db2.gz ZCTUHHQGNRIJRU-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO c1ccc(-c2noc(C[N@H+]3CC=CCC3)n2)nc1 ZINC000679324432 487905631 /nfs/dbraw/zinc/90/56/31/487905631.db2.gz RVRXHQAMHOZUPU-UHFFFAOYSA-N 1 2 242.282 1.894 20 0 BDADLO c1ccc(-c2noc(C[N@@H+]3CC=CCC3)n2)nc1 ZINC000679324432 487905637 /nfs/dbraw/zinc/90/56/37/487905637.db2.gz RVRXHQAMHOZUPU-UHFFFAOYSA-N 1 2 242.282 1.894 20 0 BDADLO Oc1ccc(C[N@@H+]2CCc3cncnc3C2)cc1 ZINC000682404304 487948144 /nfs/dbraw/zinc/94/81/44/487948144.db2.gz VAJHXKRAYFDLFK-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO Oc1ccc(C[N@H+]2CCc3cncnc3C2)cc1 ZINC000682404304 487948149 /nfs/dbraw/zinc/94/81/49/487948149.db2.gz VAJHXKRAYFDLFK-UHFFFAOYSA-N 1 2 241.294 1.741 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220543963 487988840 /nfs/dbraw/zinc/98/88/40/487988840.db2.gz VAGUAXPTMMNORQ-ZETCQYMHSA-N 1 2 248.311 1.610 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220543963 487988844 /nfs/dbraw/zinc/98/88/44/487988844.db2.gz VAGUAXPTMMNORQ-ZETCQYMHSA-N 1 2 248.311 1.610 20 0 BDADLO c1coc(CNc2ccc(-n3cncn3)c[nH+]2)c1 ZINC000682856115 488055083 /nfs/dbraw/zinc/05/50/83/488055083.db2.gz ZARAFOXZDWNXBZ-UHFFFAOYSA-N 1 2 241.254 1.867 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000667830702 488134337 /nfs/dbraw/zinc/13/43/37/488134337.db2.gz XSCKIBIGJJYXIF-GMTAPVOTSA-N 1 2 233.315 1.392 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000518327691 488142788 /nfs/dbraw/zinc/14/27/88/488142788.db2.gz ATHSLMIWUJZSCU-AAEUAGOBSA-N 1 2 235.331 1.893 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000518327691 488142790 /nfs/dbraw/zinc/14/27/90/488142790.db2.gz ATHSLMIWUJZSCU-AAEUAGOBSA-N 1 2 235.331 1.893 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1nc(C)no1 ZINC000677888756 488148517 /nfs/dbraw/zinc/14/85/17/488148517.db2.gz NQAYSJIMPTUWON-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1nc(C)no1 ZINC000677888756 488148522 /nfs/dbraw/zinc/14/85/22/488148522.db2.gz NQAYSJIMPTUWON-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000294429033 488150462 /nfs/dbraw/zinc/15/04/62/488150462.db2.gz ZRJZIUVHOWZMNT-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000294429033 488150465 /nfs/dbraw/zinc/15/04/65/488150465.db2.gz ZRJZIUVHOWZMNT-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccccc2F)nn1 ZINC000404417386 488157679 /nfs/dbraw/zinc/15/76/79/488157679.db2.gz AAQUMRMJUYFFGD-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCC[C@H](C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000677600975 488158687 /nfs/dbraw/zinc/15/86/87/488158687.db2.gz VYMHDIJQDRDNNZ-VIFPVBQESA-N 1 2 245.348 1.265 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)nn1 ZINC000404512830 488166257 /nfs/dbraw/zinc/16/62/57/488166257.db2.gz SAQHBNIEJZNKNQ-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccoc1 ZINC000672150499 488173040 /nfs/dbraw/zinc/17/30/40/488173040.db2.gz NOWVQXWRFUZNDV-JTQLQIEISA-N 1 2 231.255 1.221 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nccs1 ZINC000683537730 488190255 /nfs/dbraw/zinc/19/02/55/488190255.db2.gz FUXASTBMOKKZBU-QMMMGPOBSA-N 1 2 236.300 1.158 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](CO)CC1CC1 ZINC000678096544 488197491 /nfs/dbraw/zinc/19/74/91/488197491.db2.gz JDXXOZGIPLWROD-LLVKDONJSA-N 1 2 249.314 1.094 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)CCO)c(C)c[nH+]1 ZINC000678097351 488197706 /nfs/dbraw/zinc/19/77/06/488197706.db2.gz AZCVAEFUVGIDEE-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000678123151 488200552 /nfs/dbraw/zinc/20/05/52/488200552.db2.gz PQTLTDNSGCZHAB-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1[nH]nc2ccccc21 ZINC000678123151 488200556 /nfs/dbraw/zinc/20/05/56/488200556.db2.gz PQTLTDNSGCZHAB-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1n[nH]c2ccccc21 ZINC000678123151 488200559 /nfs/dbraw/zinc/20/05/59/488200559.db2.gz PQTLTDNSGCZHAB-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1n[nH]c2ccccc21 ZINC000678123151 488200562 /nfs/dbraw/zinc/20/05/62/488200562.db2.gz PQTLTDNSGCZHAB-UHFFFAOYSA-N 1 2 246.314 1.259 20 0 BDADLO Cc1ncccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000678127489 488202139 /nfs/dbraw/zinc/20/21/39/488202139.db2.gz QRKJSJHFVZTTJO-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1ncccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000678127489 488202142 /nfs/dbraw/zinc/20/21/42/488202142.db2.gz QRKJSJHFVZTTJO-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H]2C[C@H]21 ZINC000672123558 488206553 /nfs/dbraw/zinc/20/65/53/488206553.db2.gz YTBZPQQBXCCSTN-CMPLNLGQSA-N 1 2 241.294 1.959 20 0 BDADLO c1cn([C@@H]2CCCN(Cc3csnn3)C2)c[nH+]1 ZINC000678235073 488217247 /nfs/dbraw/zinc/21/72/47/488217247.db2.gz CNCPRRDDLOYSDL-LLVKDONJSA-N 1 2 249.343 1.572 20 0 BDADLO O=C(C[N@H+]1CC[C@H](C(F)F)C1)Nc1ccon1 ZINC000677732444 488217406 /nfs/dbraw/zinc/21/74/06/488217406.db2.gz HJUNBQFUCFGXMQ-ZETCQYMHSA-N 1 2 245.229 1.200 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](C(F)F)C1)Nc1ccon1 ZINC000677732444 488217411 /nfs/dbraw/zinc/21/74/11/488217411.db2.gz HJUNBQFUCFGXMQ-ZETCQYMHSA-N 1 2 245.229 1.200 20 0 BDADLO CCCc1ccc(C[NH2+]Cc2nnn(C)n2)cc1 ZINC000683779086 488220009 /nfs/dbraw/zinc/22/00/09/488220009.db2.gz UTOQGFJPEMGHLM-UHFFFAOYSA-N 1 2 245.330 1.452 20 0 BDADLO F[C@H]1CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000668213446 488227792 /nfs/dbraw/zinc/22/77/92/488227792.db2.gz AWLYJKKMXLSJJV-NSHDSACASA-N 1 2 223.295 1.837 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000668213446 488227797 /nfs/dbraw/zinc/22/77/97/488227797.db2.gz AWLYJKKMXLSJJV-NSHDSACASA-N 1 2 223.295 1.837 20 0 BDADLO CCn1cc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000678272870 488233926 /nfs/dbraw/zinc/23/39/26/488233926.db2.gz DAVZVQMAFZVQOB-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCn1cc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000678272870 488233928 /nfs/dbraw/zinc/23/39/28/488233928.db2.gz DAVZVQMAFZVQOB-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000678281143 488236439 /nfs/dbraw/zinc/23/64/39/488236439.db2.gz MNBWVYWTFOMJLU-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000678281143 488236442 /nfs/dbraw/zinc/23/64/42/488236442.db2.gz MNBWVYWTFOMJLU-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO Cc1nn(C)cc1CN(C)Cc1[nH]cc[nH+]1 ZINC000683889322 488237527 /nfs/dbraw/zinc/23/75/27/488237527.db2.gz NIXRJBUGGWFEIS-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147909 488240731 /nfs/dbraw/zinc/24/07/31/488240731.db2.gz ZGNQNXJUYKIJPJ-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC12CCC2 ZINC000672157510 488242823 /nfs/dbraw/zinc/24/28/23/488242823.db2.gz DKUDZMNWIDRKGN-JQWIXIFHSA-N 1 2 245.326 1.504 20 0 BDADLO CC(C)(C(=O)Nc1cc[nH]n1)c1c[nH+]c[nH]1 ZINC000683918261 488244300 /nfs/dbraw/zinc/24/43/00/488244300.db2.gz BKTHKPHBFKVHKO-UHFFFAOYSA-N 1 2 219.248 1.049 20 0 BDADLO CC(C)(C(=O)Nc1cc[nH]n1)c1c[nH]c[nH+]1 ZINC000683918261 488244302 /nfs/dbraw/zinc/24/43/02/488244302.db2.gz BKTHKPHBFKVHKO-UHFFFAOYSA-N 1 2 219.248 1.049 20 0 BDADLO CCn1ncnc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672272027 488249006 /nfs/dbraw/zinc/24/90/06/488249006.db2.gz ZSPVLHOLROLDNJ-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO CCc1nsc(-n2c[nH+]c(CCCO)c2)n1 ZINC000678400360 488251324 /nfs/dbraw/zinc/25/13/24/488251324.db2.gz ZSJYOTJHBKHICQ-UHFFFAOYSA-N 1 2 238.316 1.211 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nc(C2CC2)ns1 ZINC000678400824 488251355 /nfs/dbraw/zinc/25/13/55/488251355.db2.gz DTBLDHMREHSXDO-UHFFFAOYSA-N 1 2 235.316 1.775 20 0 BDADLO CC1(C)CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000684086773 488264337 /nfs/dbraw/zinc/26/43/37/488264337.db2.gz LOCJPIFYPQVAEO-UHFFFAOYSA-N 1 2 229.283 1.816 20 0 BDADLO CC1(C)C[N@H+](Cc2nnc(C3CC3)o2)C[C@H]1O ZINC000684108075 488267304 /nfs/dbraw/zinc/26/73/04/488267304.db2.gz LFVIUUNTFCFPCM-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO CC1(C)C[N@@H+](Cc2nnc(C3CC3)o2)C[C@H]1O ZINC000684108075 488267306 /nfs/dbraw/zinc/26/73/06/488267306.db2.gz LFVIUUNTFCFPCM-SECBINFHSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1nnc(CN(C)Cc2[nH]cc[nH+]2)n1C1CC1 ZINC000684154983 488270098 /nfs/dbraw/zinc/27/00/98/488270098.db2.gz VVCWCLLSPVWRFM-UHFFFAOYSA-N 1 2 246.318 1.277 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2CC(N)=O)cc[nH+]1 ZINC000678612748 488272333 /nfs/dbraw/zinc/27/23/33/488272333.db2.gz NTNNXZDQCVFLKO-SNVBAGLBSA-N 1 2 234.303 1.019 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H](O)C2CC2)s1 ZINC000678625332 488274031 /nfs/dbraw/zinc/27/40/31/488274031.db2.gz TXOYUAFHNBASMV-SECBINFHSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H](O)C2CC2)s1 ZINC000678625332 488274034 /nfs/dbraw/zinc/27/40/34/488274034.db2.gz TXOYUAFHNBASMV-SECBINFHSA-N 1 2 227.333 1.049 20 0 BDADLO CCC[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000678774374 488281555 /nfs/dbraw/zinc/28/15/55/488281555.db2.gz XVVHQIGBOAXKLD-JTQLQIEISA-N 1 2 238.335 1.750 20 0 BDADLO C[C@H](CNc1cc[nH+]cc1F)Cn1cccn1 ZINC000678787967 488283363 /nfs/dbraw/zinc/28/33/63/488283363.db2.gz BCTSHNCRACNBSB-SNVBAGLBSA-N 1 2 234.278 1.587 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)CCCn1cc[nH+]c1 ZINC000684333525 488294131 /nfs/dbraw/zinc/29/41/31/488294131.db2.gz BYPXXPUOQNNRKJ-GHMZBOCLSA-N 1 2 221.304 1.673 20 0 BDADLO C[C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000673647716 488299621 /nfs/dbraw/zinc/29/96/21/488299621.db2.gz LOKBVXJARDMCLL-SECBINFHSA-N 1 2 207.277 1.045 20 0 BDADLO C1=CC[N@H+](Cc2nnc3n2CCCC3)CC1 ZINC000679323115 488336475 /nfs/dbraw/zinc/33/64/75/488336475.db2.gz IRXWDQDZIKXZMD-UHFFFAOYSA-N 1 2 218.304 1.376 20 0 BDADLO C1=CC[N@@H+](Cc2nnc3n2CCCC3)CC1 ZINC000679323115 488336476 /nfs/dbraw/zinc/33/64/76/488336476.db2.gz IRXWDQDZIKXZMD-UHFFFAOYSA-N 1 2 218.304 1.376 20 0 BDADLO CCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000684373447 488302302 /nfs/dbraw/zinc/30/23/02/488302302.db2.gz VEFQPWZSSAGDQL-VIFPVBQESA-N 1 2 209.293 1.647 20 0 BDADLO CCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000684373447 488302304 /nfs/dbraw/zinc/30/23/04/488302304.db2.gz VEFQPWZSSAGDQL-VIFPVBQESA-N 1 2 209.293 1.647 20 0 BDADLO CC(=O)Nc1nc(C[N@H+]2CC=CCC2)cs1 ZINC000679323107 488336590 /nfs/dbraw/zinc/33/65/90/488336590.db2.gz IMUDRVJRZHBBQS-UHFFFAOYSA-N 1 2 237.328 1.863 20 0 BDADLO CC(=O)Nc1nc(C[N@@H+]2CC=CCC2)cs1 ZINC000679323107 488336592 /nfs/dbraw/zinc/33/65/92/488336592.db2.gz IMUDRVJRZHBBQS-UHFFFAOYSA-N 1 2 237.328 1.863 20 0 BDADLO COc1ccc(NC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC000684449687 488314359 /nfs/dbraw/zinc/31/43/59/488314359.db2.gz LFYKZPJQRDIEDY-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1ccc(NC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC000684449687 488314361 /nfs/dbraw/zinc/31/43/61/488314361.db2.gz LFYKZPJQRDIEDY-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679218303 488318168 /nfs/dbraw/zinc/31/81/68/488318168.db2.gz CYENMTIJXUDASV-WOPDTQHZSA-N 1 2 244.354 1.971 20 0 BDADLO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679218303 488318170 /nfs/dbraw/zinc/31/81/70/488318170.db2.gz CYENMTIJXUDASV-WOPDTQHZSA-N 1 2 244.354 1.971 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1F ZINC000679220070 488318544 /nfs/dbraw/zinc/31/85/44/488318544.db2.gz DTPNELSILZXSTR-GHMZBOCLSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1F ZINC000679220070 488318545 /nfs/dbraw/zinc/31/85/45/488318545.db2.gz DTPNELSILZXSTR-GHMZBOCLSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C[C@H]1F ZINC000679220660 488319489 /nfs/dbraw/zinc/31/94/89/488319489.db2.gz IQXLRVUGOZODDW-CMPLNLGQSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C[C@H]1F ZINC000679220660 488319491 /nfs/dbraw/zinc/31/94/91/488319491.db2.gz IQXLRVUGOZODDW-CMPLNLGQSA-N 1 2 248.305 1.909 20 0 BDADLO C[C@@H]1C[C@H](C)N1c1cc(-n2cc[nH+]c2)ncn1 ZINC000684592098 488329444 /nfs/dbraw/zinc/32/94/44/488329444.db2.gz FOQJXINFDDQFOT-AOOOYVTPSA-N 1 2 229.287 1.649 20 0 BDADLO Cc1nc(N2CC([C@H]3CCOC3)C2)cc[nH+]1 ZINC000684594593 488329867 /nfs/dbraw/zinc/32/98/67/488329867.db2.gz GUFRGWGJGBDZBH-JTQLQIEISA-N 1 2 219.288 1.258 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnns1 ZINC000684821725 488346684 /nfs/dbraw/zinc/34/66/84/488346684.db2.gz XRSPCSXPIDDEEK-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO COc1cnccc1CNc1cc[nH+]c(C)n1 ZINC000684838821 488348397 /nfs/dbraw/zinc/34/83/97/488348397.db2.gz ZNBOICZZLXJWAT-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1csnn1 ZINC000684852649 488349407 /nfs/dbraw/zinc/34/94/07/488349407.db2.gz AGGDXSBJRXBCJT-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO COC[C@@H](C[NH2+]Cc1n[nH]c2ccccc21)OC ZINC000679721928 488365222 /nfs/dbraw/zinc/36/52/22/488365222.db2.gz ZTYNFOMGZZRTOI-SNVBAGLBSA-N 1 2 249.314 1.314 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncc(Cl)cn1)CC2 ZINC000679846138 488368446 /nfs/dbraw/zinc/36/84/46/488368446.db2.gz VJRGLALFSGXXKC-UHFFFAOYSA-N 1 2 249.705 1.655 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nc(C(C)C)no1)CC2 ZINC000679845959 488368476 /nfs/dbraw/zinc/36/84/76/488368476.db2.gz LZWQIKVKBHMIEY-UHFFFAOYSA-N 1 2 247.302 1.718 20 0 BDADLO Cn1c[nH+]cc1CNc1cnn(C(C)(C)C)c1 ZINC000122029819 490119167 /nfs/dbraw/zinc/11/91/67/490119167.db2.gz TWAHZRZTRQRHEL-UHFFFAOYSA-N 1 2 233.319 1.984 20 0 BDADLO CC1(NC(=O)NCCn2cc[nH+]c2)CC=CC1 ZINC000653475598 490135929 /nfs/dbraw/zinc/13/59/29/490135929.db2.gz GDDPFNXSNZUUFL-UHFFFAOYSA-N 1 2 234.303 1.291 20 0 BDADLO CCc1cc(N(CCO)C2CCC2)nc(C)[nH+]1 ZINC000221038347 490171679 /nfs/dbraw/zinc/17/16/79/490171679.db2.gz WYXIVGGZTNVYPG-UHFFFAOYSA-N 1 2 235.331 1.699 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1cscn1 ZINC000129960274 490189807 /nfs/dbraw/zinc/18/98/07/490189807.db2.gz LNCMXNHBBNRIBS-HTQZYQBOSA-N 1 2 225.317 1.024 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000669246423 490248343 /nfs/dbraw/zinc/24/83/43/490248343.db2.gz JHZNWZXGAKFPBW-VIFPVBQESA-N 1 2 233.315 1.526 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000669246423 490248347 /nfs/dbraw/zinc/24/83/47/490248347.db2.gz JHZNWZXGAKFPBW-VIFPVBQESA-N 1 2 233.315 1.526 20 0 BDADLO COc1cc(C)cc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000293170867 490310572 /nfs/dbraw/zinc/31/05/72/490310572.db2.gz GMZYZZZQBTVDAQ-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cc(C)nc(C)c1 ZINC000639273527 490397140 /nfs/dbraw/zinc/39/71/40/490397140.db2.gz RXNCCSWICOEXCV-UHFFFAOYSA-N 1 2 245.330 1.600 20 0 BDADLO Cc1ccc2c(c1)N(C(=O)Cn1cc[nH+]c1)CC2 ZINC000073172347 490425849 /nfs/dbraw/zinc/42/58/49/490425849.db2.gz QYTFDQPEUYDFIL-UHFFFAOYSA-N 1 2 241.294 1.781 20 0 BDADLO COc1ccc(NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC000073289257 490429579 /nfs/dbraw/zinc/42/95/79/490429579.db2.gz UZGRVZVWMGWJGI-UHFFFAOYSA-N 1 2 245.282 1.839 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C1CC1 ZINC000073366577 490431302 /nfs/dbraw/zinc/43/13/02/490431302.db2.gz OVDLKDRVWWFODK-NSHDSACASA-N 1 2 219.288 1.284 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000130824245 490454851 /nfs/dbraw/zinc/45/48/51/490454851.db2.gz LNVNYPGVVKSDHR-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)C(N)=O ZINC000393229809 490495844 /nfs/dbraw/zinc/49/58/44/490495844.db2.gz GJPBKPRVGUNTAQ-ZCFIWIBFSA-N 1 2 228.679 1.009 20 0 BDADLO Cn1cc(N[C@@H](c2[nH+]ccn2C)C2CC2)cn1 ZINC000128110520 490571916 /nfs/dbraw/zinc/57/19/16/490571916.db2.gz FBKILCBKYCVMEY-LLVKDONJSA-N 1 2 231.303 1.717 20 0 BDADLO Cc1oncc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000128186153 490575107 /nfs/dbraw/zinc/57/51/07/490575107.db2.gz IADLZCOXNKJPQX-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1oncc1C[N@H+](C)Cc1cnn(C)c1 ZINC000128186153 490575109 /nfs/dbraw/zinc/57/51/09/490575109.db2.gz IADLZCOXNKJPQX-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1cc(N(C)C[C@@H](O)C2CC2)nc(C2CC2)[nH+]1 ZINC000080233677 490627434 /nfs/dbraw/zinc/62/74/34/490627434.db2.gz ULWNMMHNHIPNMA-GFCCVEGCSA-N 1 2 247.342 1.870 20 0 BDADLO CCc1cc(N[C@@](C)(CC)CO)nc[nH+]1 ZINC000080882642 490659564 /nfs/dbraw/zinc/65/95/64/490659564.db2.gz BOWAHJBTDQEZNG-NSHDSACASA-N 1 2 209.293 1.612 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@@H]3C[C@@H]32)nc[nH+]1 ZINC000665718953 491087757 /nfs/dbraw/zinc/08/77/57/491087757.db2.gz GWBLMFJPKOUUOL-AXFHLTTASA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H](O)CNc1cc(N2CCC[C@@H]3C[C@@H]32)[nH+]cn1 ZINC000665718953 491087759 /nfs/dbraw/zinc/08/77/59/491087759.db2.gz GWBLMFJPKOUUOL-AXFHLTTASA-N 1 2 248.330 1.258 20 0 BDADLO FC(F)[C@@H]1CCCN1CC[NH+]1CCOCC1 ZINC000353165517 491108696 /nfs/dbraw/zinc/10/86/96/491108696.db2.gz AEVFJQCZNIGRSS-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000353165517 491108697 /nfs/dbraw/zinc/10/86/97/491108697.db2.gz AEVFJQCZNIGRSS-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCN1CCOCC1 ZINC000353165517 491108700 /nfs/dbraw/zinc/10/87/00/491108700.db2.gz AEVFJQCZNIGRSS-JTQLQIEISA-N 1 2 234.290 1.048 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000122633964 491114652 /nfs/dbraw/zinc/11/46/52/491114652.db2.gz POZUWIBPFVOMSB-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000122633964 491114653 /nfs/dbraw/zinc/11/46/53/491114653.db2.gz POZUWIBPFVOMSB-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO Cc1noc(C[NH+]2CCC(CF)CC2)n1 ZINC000336253920 491124054 /nfs/dbraw/zinc/12/40/54/491124054.db2.gz XWGXOBULGCXVGW-UHFFFAOYSA-N 1 2 213.256 1.560 20 0 BDADLO OCCC[N@H+](Cc1nccs1)C1CC1 ZINC000404311852 491127099 /nfs/dbraw/zinc/12/70/99/491127099.db2.gz PMSNAYWKIBQHDE-UHFFFAOYSA-N 1 2 212.318 1.490 20 0 BDADLO OCCC[N@@H+](Cc1nccs1)C1CC1 ZINC000404311852 491127100 /nfs/dbraw/zinc/12/71/00/491127100.db2.gz PMSNAYWKIBQHDE-UHFFFAOYSA-N 1 2 212.318 1.490 20 0 BDADLO CC[C@H](NC(=O)c1ccn(C)n1)c1[nH]cc[nH+]1 ZINC000218080082 491131932 /nfs/dbraw/zinc/13/19/32/491131932.db2.gz UHGIASFZGIYBMW-QMMMGPOBSA-N 1 2 233.275 1.024 20 0 BDADLO CCc1cc(NCc2ccc(N)[nH+]c2)ncn1 ZINC000308392563 491136202 /nfs/dbraw/zinc/13/62/02/491136202.db2.gz PRBCLUNUIAOVGL-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO CCc1cc(NC2(COC)CC2)nc[nH+]1 ZINC000309026596 491142551 /nfs/dbraw/zinc/14/25/51/491142551.db2.gz AZKJICVPHOQZNA-UHFFFAOYSA-N 1 2 207.277 1.630 20 0 BDADLO Cc1nc(N[C@@H](CO)CC2CC2)cc[nH+]1 ZINC000309226512 491146397 /nfs/dbraw/zinc/14/63/97/491146397.db2.gz WCRSHQJEPUYAJR-SNVBAGLBSA-N 1 2 207.277 1.358 20 0 BDADLO OC[C@@H]([NH2+]C1CSC1)c1c(F)cccc1F ZINC000309592460 491152748 /nfs/dbraw/zinc/15/27/48/491152748.db2.gz SRCRGGSCZPOFTL-SNVBAGLBSA-N 1 2 245.294 1.703 20 0 BDADLO C[C@H]1CN=C(NC(=O)C=Cc2c[nH]c[nH+]2)S1 ZINC000493093843 534006232 /nfs/dbraw/zinc/00/62/32/534006232.db2.gz KHUNPPWAZPJEPO-XDVGHUOJSA-N 1 2 236.300 1.030 20 0 BDADLO Cc1cc(NC[C@@H](O)C(F)F)nc(C2CC2)[nH+]1 ZINC000487684133 534032040 /nfs/dbraw/zinc/03/20/40/534032040.db2.gz FVCYAOLVWLIFOS-MRVPVSSYSA-N 1 2 243.257 1.122 20 0 BDADLO CCOC(=O)C[C@H](C)N(C)c1cc(C)[nH+]cn1 ZINC000259931338 535727967 /nfs/dbraw/zinc/72/79/67/535727967.db2.gz BEBSQOLRMXRQSG-JTQLQIEISA-N 1 2 237.303 1.563 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)CCC(=O)OC(C)C ZINC001172772706 974940713 /nfs/dbraw/zinc/94/07/13/974940713.db2.gz HBVAPAQIHRVQJF-SNVBAGLBSA-N 1 2 245.319 1.212 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)CCC(=O)OC(C)C ZINC001172772706 974940717 /nfs/dbraw/zinc/94/07/17/974940717.db2.gz HBVAPAQIHRVQJF-SNVBAGLBSA-N 1 2 245.319 1.212 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493482720 534300179 /nfs/dbraw/zinc/30/01/79/534300179.db2.gz JKXULBWPGJKCOG-SSJHQANKSA-N 1 2 219.288 1.680 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccnc1 ZINC000345636613 518198391 /nfs/dbraw/zinc/19/83/91/518198391.db2.gz GYBWHHQEQMGLGZ-UHFFFAOYSA-N 1 2 216.244 1.376 20 0 BDADLO Cc1nc(NC(=O)C=Cc2c[nH]c[nH+]2)cs1 ZINC000492905118 534453106 /nfs/dbraw/zinc/45/31/06/534453106.db2.gz YNQWHWODDXDKDY-IHWYPQMZSA-N 1 2 234.284 1.827 20 0 BDADLO C[C@@H](N(C)C(=O)CCc1c[nH+]c[nH]1)C1(C)CC1 ZINC000189241059 582871419 /nfs/dbraw/zinc/87/14/19/582871419.db2.gz JPTHCYCLHPJIET-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H](N(C)C(=O)CCc1c[nH]c[nH+]1)C1(C)CC1 ZINC000189241059 582871424 /nfs/dbraw/zinc/87/14/24/582871424.db2.gz JPTHCYCLHPJIET-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]1C(F)F ZINC000493471545 534804331 /nfs/dbraw/zinc/80/43/31/534804331.db2.gz ZGLWBLOLDLINJY-BNPBDYDZSA-N 1 2 227.214 1.193 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(O)cc1 ZINC000492992439 534804902 /nfs/dbraw/zinc/80/49/02/534804902.db2.gz XVXXHFOAVFNEAF-UTCJRWHESA-N 1 2 229.239 1.767 20 0 BDADLO Cc1ccccc1C[NH+]1CC2(C1)CNC(=O)O2 ZINC000496941442 534813179 /nfs/dbraw/zinc/81/31/79/534813179.db2.gz SNNAACPDTQIVIE-UHFFFAOYSA-N 1 2 232.283 1.289 20 0 BDADLO O=C1OCC[C@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000494361314 534815045 /nfs/dbraw/zinc/81/50/45/534815045.db2.gz AXVCOMDSMQPVPO-JTQLQIEISA-N 1 2 236.271 1.306 20 0 BDADLO O=C1OCC[C@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000494361314 534815050 /nfs/dbraw/zinc/81/50/50/534815050.db2.gz AXVCOMDSMQPVPO-JTQLQIEISA-N 1 2 236.271 1.306 20 0 BDADLO CN(C)c1cc(N(C)CC2CCC2)nc[nH+]1 ZINC000892465816 582893292 /nfs/dbraw/zinc/89/32/92/582893292.db2.gz HMOHRVORSKQUAU-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO CN(C)c1cc(N(C)CC2CCC2)[nH+]cn1 ZINC000892465816 582893294 /nfs/dbraw/zinc/89/32/94/582893294.db2.gz HMOHRVORSKQUAU-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](O)[C@H](C)C2)cc[nH+]1 ZINC000302362161 534910627 /nfs/dbraw/zinc/91/06/27/534910627.db2.gz DBUBYDJRXCHQCB-GHMZBOCLSA-N 1 2 235.331 1.807 20 0 BDADLO CN(C)c1cc(NC[C@]2(C)CCOC2)[nH+]cn1 ZINC000892510909 582902588 /nfs/dbraw/zinc/90/25/88/582902588.db2.gz YDFYTEKZIBGPHD-LBPRGKRZSA-N 1 2 236.319 1.381 20 0 BDADLO CN(C)c1cc(NC[C@]2(C)CCOC2)nc[nH+]1 ZINC000892510909 582902591 /nfs/dbraw/zinc/90/25/91/582902591.db2.gz YDFYTEKZIBGPHD-LBPRGKRZSA-N 1 2 236.319 1.381 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCc1ccncc1)C1CC1 ZINC000348208185 536453238 /nfs/dbraw/zinc/45/32/38/536453238.db2.gz GLUDYTAMQNQJHV-ZDUSSCGKSA-N 1 2 248.326 1.555 20 0 BDADLO CC(=O)Nc1cccc(OCc2c[nH+]cn2C)c1 ZINC000505699194 527077525 /nfs/dbraw/zinc/07/75/25/527077525.db2.gz GNUJVFAHNICQMG-UHFFFAOYSA-N 1 2 245.282 1.958 20 0 BDADLO C/C=C/C=C/C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000493797320 527579254 /nfs/dbraw/zinc/57/92/54/527579254.db2.gz XNGSQYIPVPCCMV-YNAPYJBPSA-N 1 2 210.302 1.726 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493352519 527707990 /nfs/dbraw/zinc/70/79/90/527707990.db2.gz MVLBFGKOZXKFBR-ZBJFTSOASA-N 1 2 219.288 1.585 20 0 BDADLO CC1(C)OCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493229600 527805380 /nfs/dbraw/zinc/80/53/80/527805380.db2.gz ZKBVNGKJFJOBMY-CDAZIORVSA-N 1 2 235.287 1.107 20 0 BDADLO CC[N@H+](C/C=C/c1ccncc1)CC(=O)OC ZINC000494977839 527871711 /nfs/dbraw/zinc/87/17/11/527871711.db2.gz SXMLKVFEYMSNMP-SNAWJCMRSA-N 1 2 234.299 1.590 20 0 BDADLO CC[N@@H+](C/C=C/c1ccncc1)CC(=O)OC ZINC000494977839 527871713 /nfs/dbraw/zinc/87/17/13/527871713.db2.gz SXMLKVFEYMSNMP-SNAWJCMRSA-N 1 2 234.299 1.590 20 0 BDADLO CCO/C=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000493851678 528472476 /nfs/dbraw/zinc/47/24/76/528472476.db2.gz UNUCNIBUVJIHIL-VMPITWQZSA-N 1 2 223.276 1.311 20 0 BDADLO CCOC1CC(N(C)C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493589796 528505402 /nfs/dbraw/zinc/50/54/02/528505402.db2.gz OGHLYOBPLZIJIG-SNAWJCMRSA-N 1 2 249.314 1.449 20 0 BDADLO CCO/C=C\C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000492929953 528510066 /nfs/dbraw/zinc/51/00/66/528510066.db2.gz VBDXBNYZTLPVBI-DJTUGOFGSA-N 1 2 249.314 1.424 20 0 BDADLO CCOCC[N@H+](C)CN1CC(C)(C)OC1=O ZINC000494573532 528712658 /nfs/dbraw/zinc/71/26/58/528712658.db2.gz SGZHOTCCOITXKI-UHFFFAOYSA-N 1 2 230.308 1.143 20 0 BDADLO CCOCC[N@@H+](C)CN1CC(C)(C)OC1=O ZINC000494573532 528712659 /nfs/dbraw/zinc/71/26/59/528712659.db2.gz SGZHOTCCOITXKI-UHFFFAOYSA-N 1 2 230.308 1.143 20 0 BDADLO CCOC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494261948 528729973 /nfs/dbraw/zinc/72/99/73/528729973.db2.gz KCQFDIVILSVPDX-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO CCOC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494261948 528729977 /nfs/dbraw/zinc/72/99/77/528729977.db2.gz KCQFDIVILSVPDX-VIFPVBQESA-N 1 2 235.274 1.917 20 0 BDADLO CC(F)(F)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493496476 528732066 /nfs/dbraw/zinc/73/20/66/528732066.db2.gz WLBGITJNOGHRQY-NSCUHMNNSA-N 1 2 215.203 1.194 20 0 BDADLO CCCc1nc(C[NH2+][C@@]2(C)CCO[C@@H]2C)no1 ZINC000494247673 528749730 /nfs/dbraw/zinc/74/97/30/528749730.db2.gz LTFWJFFPVMLNHU-SKDRFNHKSA-N 1 2 239.319 1.679 20 0 BDADLO CC/C=C\CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493227551 528792336 /nfs/dbraw/zinc/79/23/36/528792336.db2.gz HLXUKKITQJLJOO-DNVGVPOPSA-N 1 2 205.261 1.505 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cnns1 ZINC000400111101 528865036 /nfs/dbraw/zinc/86/50/36/528865036.db2.gz PVVBOAPXVGFDSO-MRVPVSSYSA-N 1 2 243.332 1.312 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cnns1 ZINC000400111101 528865041 /nfs/dbraw/zinc/86/50/41/528865041.db2.gz PVVBOAPXVGFDSO-MRVPVSSYSA-N 1 2 243.332 1.312 20 0 BDADLO CCCn1nccc1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493721362 528886895 /nfs/dbraw/zinc/88/68/95/528886895.db2.gz KTDWODYZRGNOGD-ONEGZZNKSA-N 1 2 245.286 1.668 20 0 BDADLO CCN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493393556 528911159 /nfs/dbraw/zinc/91/11/59/528911159.db2.gz UCBNSPGAFUBBEZ-WAYWQWQTSA-N 1 2 205.261 1.434 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494241840 528998096 /nfs/dbraw/zinc/99/80/96/528998096.db2.gz OLTAQMFEHCRSNK-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494241840 528998099 /nfs/dbraw/zinc/99/80/99/528998099.db2.gz OLTAQMFEHCRSNK-VHSXEESVSA-N 1 2 237.290 1.361 20 0 BDADLO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000492842828 529003177 /nfs/dbraw/zinc/00/31/77/529003177.db2.gz ALLZRZQOKVUTRV-UWVGGRQHSA-N 1 2 238.335 1.959 20 0 BDADLO CC1(C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903712 529013785 /nfs/dbraw/zinc/01/37/85/529013785.db2.gz URCZJZQUXXXEIE-ONEGZZNKSA-N 1 2 205.261 1.434 20 0 BDADLO CCC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493081346 529024884 /nfs/dbraw/zinc/02/48/84/529024884.db2.gz IXHHIKSNKXMOHS-PLNGDYQASA-N 1 2 219.288 1.681 20 0 BDADLO CC[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCCO1 ZINC000493077541 529259974 /nfs/dbraw/zinc/25/99/74/529259974.db2.gz ZCLYKPLKGPMGNJ-ZWNMCFTASA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccncc1 ZINC000494971256 529265973 /nfs/dbraw/zinc/26/59/73/529265973.db2.gz HJBLODJGTXSRAH-ITDFMYJTSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494971256 529265975 /nfs/dbraw/zinc/26/59/75/529265975.db2.gz HJBLODJGTXSRAH-ITDFMYJTSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@@H](C)N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493677041 529338651 /nfs/dbraw/zinc/33/86/51/529338651.db2.gz BJXSWBQMKBJGSF-VUHVRTRXSA-N 1 2 207.277 1.680 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000407949768 534973871 /nfs/dbraw/zinc/97/38/71/534973871.db2.gz NWONUBURGZEDDW-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000407949768 534973876 /nfs/dbraw/zinc/97/38/76/534973876.db2.gz NWONUBURGZEDDW-JTQLQIEISA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261550042 535021965 /nfs/dbraw/zinc/02/19/65/535021965.db2.gz PEICOCSYEHKBTH-MRVPVSSYSA-N 1 2 220.263 1.098 20 0 BDADLO CC(C)(CNc1cccc[nH+]1)S(C)(=O)=O ZINC000086504371 535155606 /nfs/dbraw/zinc/15/56/06/535155606.db2.gz VLZLSVOOKWYPFS-UHFFFAOYSA-N 1 2 228.317 1.317 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180316336 535164493 /nfs/dbraw/zinc/16/44/93/535164493.db2.gz BPGBZWAVGMFKNO-GRYCIOLGSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180316336 535164497 /nfs/dbraw/zinc/16/44/97/535164497.db2.gz BPGBZWAVGMFKNO-GRYCIOLGSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(C3CC3)no2)C1 ZINC000350504477 535215046 /nfs/dbraw/zinc/21/50/46/535215046.db2.gz JBXPMFBOEVEBGS-SNVBAGLBSA-N 1 2 237.303 1.729 20 0 BDADLO CC(C)[N@H+]1CCO[C@@H](c2nc(C3CC3)no2)C1 ZINC000350504477 535215051 /nfs/dbraw/zinc/21/50/51/535215051.db2.gz JBXPMFBOEVEBGS-SNVBAGLBSA-N 1 2 237.303 1.729 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)[C@@H]1[C@H]1CCCO1 ZINC000351983626 535356670 /nfs/dbraw/zinc/35/66/70/535356670.db2.gz USVWPWMIDQETAR-DGCLKSJQSA-N 1 2 247.342 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)[C@@H]1[C@H]1CCCO1 ZINC000351983626 535356672 /nfs/dbraw/zinc/35/66/72/535356672.db2.gz USVWPWMIDQETAR-DGCLKSJQSA-N 1 2 247.342 1.866 20 0 BDADLO CC[N@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC000342706313 535396023 /nfs/dbraw/zinc/39/60/23/535396023.db2.gz SGAWXDHUTOSZHH-UHFFFAOYSA-N 1 2 220.320 1.599 20 0 BDADLO CC[N@@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC000342706313 535396028 /nfs/dbraw/zinc/39/60/28/535396028.db2.gz SGAWXDHUTOSZHH-UHFFFAOYSA-N 1 2 220.320 1.599 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)C)n1)C[C@@H](C)O ZINC000352228929 535397951 /nfs/dbraw/zinc/39/79/51/535397951.db2.gz BLFUODWWWKYALH-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@H+](Cc1noc(C(C)C)n1)C[C@@H](C)O ZINC000352228929 535397955 /nfs/dbraw/zinc/39/79/55/535397955.db2.gz BLFUODWWWKYALH-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12CC[C@H](C)[C@H](C)C2 ZINC000352272873 535443154 /nfs/dbraw/zinc/44/31/54/535443154.db2.gz GNBMNTLXGGMYFJ-HOSYDEDBSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12CC[C@H](C)[C@H](C)C2 ZINC000352272873 535443160 /nfs/dbraw/zinc/44/31/60/535443160.db2.gz GNBMNTLXGGMYFJ-HOSYDEDBSA-N 1 2 210.321 1.591 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000347999414 535612900 /nfs/dbraw/zinc/61/29/00/535612900.db2.gz ZRGZWDLAQSQNII-NXEZZACHSA-N 1 2 239.319 1.792 20 0 BDADLO CC[C@@H](NC(=O)c1cncs1)c1[nH]cc[nH+]1 ZINC000218079463 535802081 /nfs/dbraw/zinc/80/20/81/535802081.db2.gz UDBZKWMXADDNHX-SSDOTTSWSA-N 1 2 236.300 1.747 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCCS1)C(=O)OC ZINC000168388567 535804724 /nfs/dbraw/zinc/80/47/24/535804724.db2.gz HFOARKQAEUQYJA-DTWKUNHWSA-N 1 2 217.334 1.423 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000168331781 535804807 /nfs/dbraw/zinc/80/48/07/535804807.db2.gz YSHSSTXMGWJQNX-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC1 ZINC000336052945 535956459 /nfs/dbraw/zinc/95/64/59/535956459.db2.gz OAIZZUWDXVWFGP-UHFFFAOYSA-N 1 2 207.277 1.308 20 0 BDADLO CCc1ccnc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000342371891 535992188 /nfs/dbraw/zinc/99/21/88/535992188.db2.gz QPTNIAZBMHVCLX-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170297 536046095 /nfs/dbraw/zinc/04/60/95/536046095.db2.gz FQLLOAGZUOFIOI-KOLCDFICSA-N 1 2 246.301 1.632 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547385 536142173 /nfs/dbraw/zinc/14/21/73/536142173.db2.gz GHSIOBOEPHZSMN-QWRGUYRKSA-N 1 2 235.331 1.702 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000226497292 536157830 /nfs/dbraw/zinc/15/78/30/536157830.db2.gz KDBWIMKSDKDTCM-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H](C(=O)OC)C2CC2)CCO1 ZINC000226497292 536157834 /nfs/dbraw/zinc/15/78/34/536157834.db2.gz KDBWIMKSDKDTCM-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cn1 ZINC000348183342 536175029 /nfs/dbraw/zinc/17/50/29/536175029.db2.gz BASXHPKABQCKPR-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cn1 ZINC000348183342 536175033 /nfs/dbraw/zinc/17/50/33/536175033.db2.gz BASXHPKABQCKPR-NSHDSACASA-N 1 2 247.342 1.307 20 0 BDADLO COC(=O)C[C@@H](C)Nc1cc(C(C)C)[nH+]cn1 ZINC000259569448 536307764 /nfs/dbraw/zinc/30/77/64/536307764.db2.gz WCEUAPDKAUTVKT-SECBINFHSA-N 1 2 237.303 1.964 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335728486 536629103 /nfs/dbraw/zinc/62/91/03/536629103.db2.gz PCUSFUAIHJNSEW-YUMQZZPRSA-N 1 2 221.247 1.525 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335728486 536629110 /nfs/dbraw/zinc/62/91/10/536629110.db2.gz PCUSFUAIHJNSEW-YUMQZZPRSA-N 1 2 221.247 1.525 20 0 BDADLO CO[C@@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000335705647 536662125 /nfs/dbraw/zinc/66/21/25/536662125.db2.gz NFCKRKXRIQXXTE-LLVKDONJSA-N 1 2 235.287 1.065 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000336088148 536689977 /nfs/dbraw/zinc/68/99/77/536689977.db2.gz ZSRMYJLPSUDPFK-SNVBAGLBSA-N 1 2 237.328 1.617 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000336088148 536689981 /nfs/dbraw/zinc/68/99/81/536689981.db2.gz ZSRMYJLPSUDPFK-SNVBAGLBSA-N 1 2 237.328 1.617 20 0 BDADLO COCCN(C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000348850419 536704894 /nfs/dbraw/zinc/70/48/94/536704894.db2.gz WUILLOKAHBRDLS-UHFFFAOYSA-N 1 2 249.314 1.455 20 0 BDADLO C[C@H]1CSCCN1c1cc(N(C)C)[nH+]cn1 ZINC000892620578 582932164 /nfs/dbraw/zinc/93/21/64/582932164.db2.gz CJTTWUIJEGLNHN-VIFPVBQESA-N 1 2 238.360 1.484 20 0 BDADLO C[C@H]1CSCCN1c1cc(N(C)C)nc[nH+]1 ZINC000892620578 582932166 /nfs/dbraw/zinc/93/21/66/582932166.db2.gz CJTTWUIJEGLNHN-VIFPVBQESA-N 1 2 238.360 1.484 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2ccn(C)n2)C1 ZINC000668514050 566300878 /nfs/dbraw/zinc/30/08/78/566300878.db2.gz UOQZOFDBJVTBHJ-UHFFFAOYSA-N 1 2 249.358 1.669 20 0 BDADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1noc(C2CC2)n1 ZINC000330206028 566341512 /nfs/dbraw/zinc/34/15/12/566341512.db2.gz CXFWPWUCPUHLKQ-PRHODGIISA-N 1 2 237.303 1.604 20 0 BDADLO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ncc[nH]1 ZINC000334469129 566397250 /nfs/dbraw/zinc/39/72/50/566397250.db2.gz YXJRYVDNCBOKCU-WPRPVWTQSA-N 1 2 231.303 1.341 20 0 BDADLO CN(C)c1cc(NCCC(F)(F)F)[nH+]cn1 ZINC000892734499 582971569 /nfs/dbraw/zinc/97/15/69/582971569.db2.gz ZXCXCAPOIXOEAJ-UHFFFAOYSA-N 1 2 234.225 1.907 20 0 BDADLO CN(C)c1cc(NCCC(F)(F)F)nc[nH+]1 ZINC000892734499 582971572 /nfs/dbraw/zinc/97/15/72/582971572.db2.gz ZXCXCAPOIXOEAJ-UHFFFAOYSA-N 1 2 234.225 1.907 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCSC2)[nH+]cn1 ZINC000892812969 582987830 /nfs/dbraw/zinc/98/78/30/582987830.db2.gz ONZQFIGLTLPHDS-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO CN(C)c1cc(N[C@H]2CCCSC2)nc[nH+]1 ZINC000892812969 582987831 /nfs/dbraw/zinc/98/78/31/582987831.db2.gz ONZQFIGLTLPHDS-VIFPVBQESA-N 1 2 238.360 1.850 20 0 BDADLO C[C@@H](O)c1cccc(N(C)CC2(O)CCC2)[nH+]1 ZINC000893174229 583063880 /nfs/dbraw/zinc/06/38/80/583063880.db2.gz WSEKOPYDOFYKED-SNVBAGLBSA-N 1 2 236.315 1.486 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CC[C@H](OC)C2)n1 ZINC000854132100 583075427 /nfs/dbraw/zinc/07/54/27/583075427.db2.gz LESIVORAWMPKSG-IUCAKERBSA-N 1 2 225.292 1.462 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000893872207 583236961 /nfs/dbraw/zinc/23/69/61/583236961.db2.gz VNCHOTQFMBNQAN-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO Cc1coc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000893872207 583236972 /nfs/dbraw/zinc/23/69/72/583236972.db2.gz VNCHOTQFMBNQAN-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ocnc1C ZINC000893996033 583267277 /nfs/dbraw/zinc/26/72/77/583267277.db2.gz XZIVNLCNVZTGJN-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@](C)(CNc1cc(N(C)C)nc[nH+]1)OC ZINC000894052779 583290153 /nfs/dbraw/zinc/29/01/53/583290153.db2.gz FZSBIUCJJYEZBL-LBPRGKRZSA-N 1 2 238.335 1.770 20 0 BDADLO CC[C@@](C)(CNc1cc(N(C)C)[nH+]cn1)OC ZINC000894052779 583290156 /nfs/dbraw/zinc/29/01/56/583290156.db2.gz FZSBIUCJJYEZBL-LBPRGKRZSA-N 1 2 238.335 1.770 20 0 BDADLO COCCc1csc(Cn2cc[nH+]c2)n1 ZINC000853002720 588715297 /nfs/dbraw/zinc/71/52/97/588715297.db2.gz UAQXEOATXSYSDL-UHFFFAOYSA-N 1 2 223.301 1.577 20 0 BDADLO Cc1nn(C[N@H+](C)CC2CCCC2)c(=O)o1 ZINC000853492512 588745791 /nfs/dbraw/zinc/74/57/91/588745791.db2.gz SQYHZQQWMZXBRJ-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@@H+](C)CC2CCCC2)c(=O)o1 ZINC000853492512 588745792 /nfs/dbraw/zinc/74/57/92/588745792.db2.gz SQYHZQQWMZXBRJ-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[NH+]2CCC(C)(C)CC2)c(=O)o1 ZINC000853496044 588745889 /nfs/dbraw/zinc/74/58/89/588745889.db2.gz XMCWXFJBPBZGGL-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(=O)o1 ZINC000853505566 588746638 /nfs/dbraw/zinc/74/66/38/588746638.db2.gz MLKJSXXQDHTRHX-RKDXNWHRSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(=O)o1 ZINC000853505566 588746639 /nfs/dbraw/zinc/74/66/39/588746639.db2.gz MLKJSXXQDHTRHX-RKDXNWHRSA-N 1 2 225.292 1.080 20 0 BDADLO COC[C@@H]1CC[N@@H+]1CN1CC[C@H](C(C)C)C1=O ZINC000853513305 588746933 /nfs/dbraw/zinc/74/69/33/588746933.db2.gz CCDGVPCHGZGOGW-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@@H]1CC[N@H+]1CN1CC[C@H](C(C)C)C1=O ZINC000853513305 588746934 /nfs/dbraw/zinc/74/69/34/588746934.db2.gz CCDGVPCHGZGOGW-NWDGAFQWSA-N 1 2 240.347 1.169 20 0 BDADLO CC(=O)c1ccnc(NCc2c[nH+]cn2C)c1 ZINC000853635855 588751102 /nfs/dbraw/zinc/75/11/02/588751102.db2.gz KXVWWJSQTLVBCV-UHFFFAOYSA-N 1 2 230.271 1.630 20 0 BDADLO CC[C@H]1CCC[N@H+](Cn2nc(C)oc2=O)CC1 ZINC000853497951 588746418 /nfs/dbraw/zinc/74/64/18/588746418.db2.gz DGAMSUGZXFLWJO-NSHDSACASA-N 1 2 239.319 1.614 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cn2nc(C)oc2=O)CC1 ZINC000853497951 588746419 /nfs/dbraw/zinc/74/64/19/588746419.db2.gz DGAMSUGZXFLWJO-NSHDSACASA-N 1 2 239.319 1.614 20 0 BDADLO C[C@@H]1C[C@H](Nc2cnc(F)cn2)c2[nH+]ccn21 ZINC000853668540 588754170 /nfs/dbraw/zinc/75/41/70/588754170.db2.gz QXXFZDSZIFQVCN-SFYZADRCSA-N 1 2 233.250 1.930 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCC=C(C)C ZINC000853674109 588754727 /nfs/dbraw/zinc/75/47/27/588754727.db2.gz RTCUSDNMAKZDII-VIFPVBQESA-N 1 2 200.282 1.876 20 0 BDADLO c1cc(NC[C@@H]2COCO2)nc(C2CC2)[nH+]1 ZINC000853687745 588756498 /nfs/dbraw/zinc/75/64/98/588756498.db2.gz ZRGSDIGGFLAAAB-SECBINFHSA-N 1 2 221.260 1.139 20 0 BDADLO CC[C@@H](C)CO[NH+]=C(N)C1(OC)CCOCC1 ZINC000853742940 588760959 /nfs/dbraw/zinc/76/09/59/588760959.db2.gz YZFYWMQMHBRTJF-SNVBAGLBSA-N 1 2 244.335 1.727 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1COC2(CCC2)C1 ZINC000853828383 588765318 /nfs/dbraw/zinc/76/53/18/588765318.db2.gz KUGJKXPWCGAZSO-JTQLQIEISA-N 1 2 249.314 1.917 20 0 BDADLO C[C@H](Nc1cnc(F)cn1)c1[nH+]ccn1C ZINC000853966382 588770507 /nfs/dbraw/zinc/77/05/07/588770507.db2.gz BUJRBFGRMXRKIE-ZETCQYMHSA-N 1 2 221.239 1.522 20 0 BDADLO CC[NH2+]Cc1noc(Cn2cc(C3CC3)cn2)n1 ZINC000854132394 588775875 /nfs/dbraw/zinc/77/58/75/588775875.db2.gz XPLQODPFXSJZRS-UHFFFAOYSA-N 1 2 247.302 1.301 20 0 BDADLO CCC(F)(F)C(=O)NCCCn1cc[nH+]c1 ZINC000854139418 588776420 /nfs/dbraw/zinc/77/64/20/588776420.db2.gz UMJJOTFJZZWTFL-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO CSC(C)(C)C(=O)NCCCn1cc[nH+]c1 ZINC000854139228 588776629 /nfs/dbraw/zinc/77/66/29/588776629.db2.gz MDGSINJWGIKAHP-UHFFFAOYSA-N 1 2 241.360 1.531 20 0 BDADLO Cc1cc(NC(=O)/C=C/c2cnn(C)c2)cc[nH+]1 ZINC000112298246 588789917 /nfs/dbraw/zinc/78/99/17/588789917.db2.gz QGPJELFPYBIUFW-ONEGZZNKSA-N 1 2 242.282 1.775 20 0 BDADLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C1CC1 ZINC000854523049 588790348 /nfs/dbraw/zinc/79/03/48/588790348.db2.gz PHUOMOQYRJEIAC-GFCCVEGCSA-N 1 2 233.315 1.599 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854533589 588790794 /nfs/dbraw/zinc/79/07/94/588790794.db2.gz UIAIPHBXTXTLNX-SNVBAGLBSA-N 1 2 223.320 1.989 20 0 BDADLO CC(C)C1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854661083 588799889 /nfs/dbraw/zinc/79/98/89/588799889.db2.gz GSMUDCQOASKUKC-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO CC[C@H]1C[N@H+](C)CCN1C(=O)C(F)(F)CC ZINC000854666749 588800148 /nfs/dbraw/zinc/80/01/48/588800148.db2.gz FCARQPBEPNZFKX-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(F)(F)CC ZINC000854666749 588800149 /nfs/dbraw/zinc/80/01/49/588800149.db2.gz FCARQPBEPNZFKX-VIFPVBQESA-N 1 2 234.290 1.584 20 0 BDADLO Cc1cccnc1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854818316 588812093 /nfs/dbraw/zinc/81/20/93/588812093.db2.gz GDMBWBAPRYNMBQ-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CC1=NO[C@H](C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000854845199 588813085 /nfs/dbraw/zinc/81/30/85/588813085.db2.gz KVROVDNPMZTQCQ-BBBLOLIVSA-N 1 2 248.286 1.170 20 0 BDADLO C[C@H](CC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854900641 588816198 /nfs/dbraw/zinc/81/61/98/588816198.db2.gz RNUCEBKSISFTNL-SECBINFHSA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)O[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854906884 588816423 /nfs/dbraw/zinc/81/64/23/588816423.db2.gz BDCRWQQVRZIHCM-AOOOYVTPSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000854931455 588817130 /nfs/dbraw/zinc/81/71/30/588817130.db2.gz IRBFWQICCNEQJV-VXGBXAGGSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CC(F)(F)F ZINC000854936663 588817298 /nfs/dbraw/zinc/81/72/98/588817298.db2.gz QQYHZKXQDOWKPH-SSDOTTSWSA-N 1 2 249.236 1.657 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1c1ccco1 ZINC000854950856 588818573 /nfs/dbraw/zinc/81/85/73/588818573.db2.gz OFCGMUXMMKSVCH-RKDXNWHRSA-N 1 2 231.255 1.218 20 0 BDADLO CC[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000854960244 588819018 /nfs/dbraw/zinc/81/90/18/588819018.db2.gz AIAOPLAMJMRNPR-ZJUUUORDSA-N 1 2 237.303 1.026 20 0 BDADLO CC/C=C(/C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134700 588822595 /nfs/dbraw/zinc/82/25/95/588822595.db2.gz XIFRZWURMBCORN-UITAMQMPSA-N 1 2 207.277 1.724 20 0 BDADLO CC/C=C(/C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134700 588822596 /nfs/dbraw/zinc/82/25/96/588822596.db2.gz XIFRZWURMBCORN-UITAMQMPSA-N 1 2 207.277 1.724 20 0 BDADLO CC(C)OCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134670 588822857 /nfs/dbraw/zinc/82/28/57/588822857.db2.gz WINQPGVTRYSYPV-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)OCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134670 588822858 /nfs/dbraw/zinc/82/28/58/588822858.db2.gz WINQPGVTRYSYPV-UHFFFAOYSA-N 1 2 225.292 1.183 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C/C1CCOCC1 ZINC000855134634 588823020 /nfs/dbraw/zinc/82/30/20/588823020.db2.gz VADQGZQQEWFTMM-NSCUHMNNSA-N 1 2 249.314 1.351 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C/C1CCOCC1 ZINC000855134634 588823021 /nfs/dbraw/zinc/82/30/21/588823021.db2.gz VADQGZQQEWFTMM-NSCUHMNNSA-N 1 2 249.314 1.351 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(F)(F)C(F)F ZINC000855134160 588823038 /nfs/dbraw/zinc/82/30/38/588823038.db2.gz HCECRCZQDNBGAD-UHFFFAOYSA-N 1 2 239.172 1.269 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(F)(F)C(F)F ZINC000855134160 588823039 /nfs/dbraw/zinc/82/30/39/588823039.db2.gz HCECRCZQDNBGAD-UHFFFAOYSA-N 1 2 239.172 1.269 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CSC(F)F ZINC000855135413 588823108 /nfs/dbraw/zinc/82/31/08/588823108.db2.gz KQJQOBNVJHGMPM-UHFFFAOYSA-N 1 2 235.259 1.324 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CSC(F)F ZINC000855135413 588823109 /nfs/dbraw/zinc/82/31/09/588823109.db2.gz KQJQOBNVJHGMPM-UHFFFAOYSA-N 1 2 235.259 1.324 20 0 BDADLO C/C=C(/CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855137061 588823469 /nfs/dbraw/zinc/82/34/69/588823469.db2.gz WGJALTKQQKQIDN-WTKPLQERSA-N 1 2 207.277 1.724 20 0 BDADLO C/C=C(/CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855137061 588823470 /nfs/dbraw/zinc/82/34/70/588823470.db2.gz WGJALTKQQKQIDN-WTKPLQERSA-N 1 2 207.277 1.724 20 0 BDADLO Fc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccn1 ZINC000859641596 582490168 /nfs/dbraw/zinc/49/01/68/582490168.db2.gz OIAAGYLPIIIXPJ-NWDGAFQWSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccn1 ZINC000859641596 582490169 /nfs/dbraw/zinc/49/01/69/582490169.db2.gz OIAAGYLPIIIXPJ-NWDGAFQWSA-N 1 2 236.290 1.974 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cnn(C)n2)c(C)n1 ZINC000806166997 582513634 /nfs/dbraw/zinc/51/36/34/582513634.db2.gz FUUWYUKGLFMAJR-MRVPVSSYSA-N 1 2 246.318 1.073 20 0 BDADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806168446 582523118 /nfs/dbraw/zinc/52/31/18/582523118.db2.gz MMSVSWQYLMWUPR-QMMMGPOBSA-N 1 2 249.318 1.525 20 0 BDADLO CC(C)c1nc(N2CC[C@@H]3C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000804688655 582526374 /nfs/dbraw/zinc/52/63/74/582526374.db2.gz LCEJHYFJDKGDGG-ZJUUUORDSA-N 1 2 247.346 1.660 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@H]3C[C@@H]32)[nH+]1 ZINC000804689680 582527415 /nfs/dbraw/zinc/52/74/15/582527415.db2.gz ROKAOKQMFMAOMV-SCZZXKLOSA-N 1 2 214.272 1.865 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000855426343 588833714 /nfs/dbraw/zinc/83/37/14/588833714.db2.gz DPSJNNHHGCXOBD-QWRGUYRKSA-N 1 2 231.299 1.280 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C=CCC1 ZINC000855430037 588834933 /nfs/dbraw/zinc/83/49/33/588834933.db2.gz ACRXVFXCTSIGEH-JTQLQIEISA-N 1 2 219.288 1.188 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)NC/C=C/Cl ZINC000891197047 582623417 /nfs/dbraw/zinc/62/34/17/582623417.db2.gz GJXSSSHYOJRVPM-ZZXKWVIFSA-N 1 2 239.706 1.914 20 0 BDADLO COCCOC[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000846750273 582665071 /nfs/dbraw/zinc/66/50/71/582665071.db2.gz AJKGTDYRURPKIL-NSHDSACASA-N 1 2 224.304 1.853 20 0 BDADLO c1[nH+]cn2ccnc(N3CCCCC3)c12 ZINC000891388203 582675709 /nfs/dbraw/zinc/67/57/09/582675709.db2.gz ZPWYMZKXXQXDIM-UHFFFAOYSA-N 1 2 202.261 1.720 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1COC2(CCC2)C1 ZINC000855660118 588843900 /nfs/dbraw/zinc/84/39/00/588843900.db2.gz RTCKTSQRDJCERL-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1COC2(CCC2)C1 ZINC000855660118 588843901 /nfs/dbraw/zinc/84/39/01/588843901.db2.gz RTCKTSQRDJCERL-LLVKDONJSA-N 1 2 249.314 1.170 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1COC2(CCC2)C1 ZINC000855667887 588844621 /nfs/dbraw/zinc/84/46/21/588844621.db2.gz KWKQEQLOSLNDKK-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO Cc1cc(N[C@@H](C)CO)nc(C2CCC2)[nH+]1 ZINC000891685347 582709870 /nfs/dbraw/zinc/70/98/70/582709870.db2.gz XTLPFCVUDHHNHN-VIFPVBQESA-N 1 2 221.304 1.845 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CCOC(C)(C)C1)CCC2 ZINC000891706723 582711656 /nfs/dbraw/zinc/71/16/56/582711656.db2.gz OHKNDHNAMVPMRS-UHFFFAOYSA-N 1 2 249.358 1.520 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CCOC(C)(C)C1)CCC2 ZINC000891706723 582711658 /nfs/dbraw/zinc/71/16/58/582711658.db2.gz OHKNDHNAMVPMRS-UHFFFAOYSA-N 1 2 249.358 1.520 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCCCO2)[nH+]cn1 ZINC000892000195 582758071 /nfs/dbraw/zinc/75/80/71/582758071.db2.gz ABORWFGGVIBQOA-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(NC[C@H]2CCCCO2)nc[nH+]1 ZINC000892000195 582758073 /nfs/dbraw/zinc/75/80/73/582758073.db2.gz ABORWFGGVIBQOA-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(N(C)Cc2cscn2)nc[nH+]1 ZINC000892000230 582758429 /nfs/dbraw/zinc/75/84/29/582758429.db2.gz NPWQWGZCBZLYKP-UHFFFAOYSA-N 1 2 249.343 1.636 20 0 BDADLO CN(C)c1cc(N(C)Cc2cscn2)[nH+]cn1 ZINC000892000230 582758431 /nfs/dbraw/zinc/75/84/31/582758431.db2.gz NPWQWGZCBZLYKP-UHFFFAOYSA-N 1 2 249.343 1.636 20 0 BDADLO C[C@H](O)CN(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000892003657 582758828 /nfs/dbraw/zinc/75/88/28/582758828.db2.gz CFUAKADSZGMGNO-NSHDSACASA-N 1 2 243.310 1.961 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000892049924 582774181 /nfs/dbraw/zinc/77/41/81/582774181.db2.gz ULFQZZIQMWKRHZ-MNOVXSKESA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000892049924 582774184 /nfs/dbraw/zinc/77/41/84/582774184.db2.gz ULFQZZIQMWKRHZ-MNOVXSKESA-N 1 2 249.358 1.907 20 0 BDADLO C[C@@H]1OCCN(Cc2[nH+]ccn2C2CC2)[C@H]1C ZINC000892050174 582775846 /nfs/dbraw/zinc/77/58/46/582775846.db2.gz WYPWWWPGIRRNPG-QWRGUYRKSA-N 1 2 235.331 1.827 20 0 BDADLO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000112840337 582820751 /nfs/dbraw/zinc/82/07/51/582820751.db2.gz AZMSBHRRTZWYSC-LBPRGKRZSA-N 1 2 229.283 1.892 20 0 BDADLO COc1ccc2ccc(N3CC(O)C3)[nH+]c2c1 ZINC000892288906 582828823 /nfs/dbraw/zinc/82/88/23/582828823.db2.gz YPNGEUOHHMEIRQ-UHFFFAOYSA-N 1 2 230.267 1.424 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000725778313 582848693 /nfs/dbraw/zinc/84/86/93/582848693.db2.gz LODAZEOSUXRDHY-MRVPVSSYSA-N 1 2 212.322 1.250 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000725778313 582848694 /nfs/dbraw/zinc/84/86/94/582848694.db2.gz LODAZEOSUXRDHY-MRVPVSSYSA-N 1 2 212.322 1.250 20 0 BDADLO C[C@@H](O)c1cccc(NCCC[S@](C)=O)[nH+]1 ZINC000892449818 582889481 /nfs/dbraw/zinc/88/94/81/582889481.db2.gz ZURUZIPZGNJUGJ-ABKXIKBNSA-N 1 2 242.344 1.315 20 0 BDADLO CC[S@](=O)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000892453857 582890435 /nfs/dbraw/zinc/89/04/35/582890435.db2.gz ZCGVNKNTOUVZAU-FVMDXXJSSA-N 1 2 242.344 1.315 20 0 BDADLO C[C@@H]1CN(C)C(=O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000782399204 582896706 /nfs/dbraw/zinc/89/67/06/582896706.db2.gz MJMSMWHLWFQCGJ-SECBINFHSA-N 1 2 244.298 1.230 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782610455 582921695 /nfs/dbraw/zinc/92/16/95/582921695.db2.gz WXTGIJZGUWCSHG-SKDRFNHKSA-N 1 2 237.303 1.007 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782610455 582921697 /nfs/dbraw/zinc/92/16/97/582921697.db2.gz WXTGIJZGUWCSHG-SKDRFNHKSA-N 1 2 237.303 1.007 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782610454 582922082 /nfs/dbraw/zinc/92/20/82/582922082.db2.gz WXTGIJZGUWCSHG-JOYOIKCWSA-N 1 2 237.303 1.007 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000782610454 582922085 /nfs/dbraw/zinc/92/20/85/582922085.db2.gz WXTGIJZGUWCSHG-JOYOIKCWSA-N 1 2 237.303 1.007 20 0 BDADLO COC[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892633340 582934766 /nfs/dbraw/zinc/93/47/66/582934766.db2.gz QWOJIQCUCBAZOE-SNVBAGLBSA-N 1 2 232.287 1.202 20 0 BDADLO CC(C)[C@@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892641479 582936062 /nfs/dbraw/zinc/93/60/62/582936062.db2.gz CANBBJZQIXAYOB-ONGXEEELSA-N 1 2 224.304 1.564 20 0 BDADLO CNc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc[nH+]1 ZINC000892660877 582943685 /nfs/dbraw/zinc/94/36/85/582943685.db2.gz XCCPNDBUJKUJDF-FXAINCCUSA-N 1 2 248.330 1.744 20 0 BDADLO CNc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)[nH+]cn1 ZINC000892660877 582943688 /nfs/dbraw/zinc/94/36/88/582943688.db2.gz XCCPNDBUJKUJDF-FXAINCCUSA-N 1 2 248.330 1.744 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)c2C2CC2)no1 ZINC000892676850 582950346 /nfs/dbraw/zinc/95/03/46/582950346.db2.gz QEPUAIXOYOCLHS-UHFFFAOYSA-N 1 2 246.314 1.884 20 0 BDADLO C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)c1[nH+]ccn1C ZINC000856279053 588866829 /nfs/dbraw/zinc/86/68/29/588866829.db2.gz AVVUFPXPYPVEGX-RKDXNWHRSA-N 1 2 239.319 1.004 20 0 BDADLO C[C@H](NC(=O)c1cccnc1F)c1[nH+]ccn1C ZINC000856279106 588866840 /nfs/dbraw/zinc/86/68/40/588866840.db2.gz BLMSTTDNRDDENY-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CC1(C)C)c1[nH+]ccn1C ZINC000856281260 588866861 /nfs/dbraw/zinc/86/68/61/588866861.db2.gz NHIYWUMOKXKWIX-IUCAKERBSA-N 1 2 221.304 1.643 20 0 BDADLO C[C@@H](NC(=O)c1cc(C=O)c[nH]1)c1[nH+]ccn1C ZINC000856281596 588866901 /nfs/dbraw/zinc/86/69/01/588866901.db2.gz QAHOECDCVLJARM-MRVPVSSYSA-N 1 2 246.270 1.052 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000892764733 582977639 /nfs/dbraw/zinc/97/76/39/582977639.db2.gz LSXJOXNEQWPYFH-GMTAPVOTSA-N 1 2 248.330 1.408 20 0 BDADLO CNc1cc(N(CCCCO)C2CC2)nc[nH+]1 ZINC000892794989 582984636 /nfs/dbraw/zinc/98/46/36/582984636.db2.gz YSMOHKKRFGTHEC-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CNc1cc(N(CCCCO)C2CC2)[nH+]cn1 ZINC000892794989 582984637 /nfs/dbraw/zinc/98/46/37/582984637.db2.gz YSMOHKKRFGTHEC-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO O=C(NOCC1CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000856351944 588870158 /nfs/dbraw/zinc/87/01/58/588870158.db2.gz QOBMLZNCDNKMHA-JTQLQIEISA-N 1 2 249.314 1.363 20 0 BDADLO O=C(NOCC1CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000856351944 588870159 /nfs/dbraw/zinc/87/01/59/588870159.db2.gz QOBMLZNCDNKMHA-JTQLQIEISA-N 1 2 249.314 1.363 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000892841668 582994071 /nfs/dbraw/zinc/99/40/71/582994071.db2.gz WFKFQGASBOBZDX-GXSJLCMTSA-N 1 2 236.319 1.408 20 0 BDADLO CCc1cc(N[C@H](C)C(=O)NC)nc(CC)[nH+]1 ZINC000892845706 582995413 /nfs/dbraw/zinc/99/54/13/582995413.db2.gz DBDQEMYFLVHQGN-MRVPVSSYSA-N 1 2 236.319 1.148 20 0 BDADLO O=C(CCF)OCc1cccc2[nH+]ccn21 ZINC000892868927 582999973 /nfs/dbraw/zinc/99/99/73/582999973.db2.gz WIABXIZUPSMKKG-UHFFFAOYSA-N 1 2 222.219 1.737 20 0 BDADLO Cn1cc(C[NH2+]Cc2cc[nH]n2)c(Cl)n1 ZINC000856769130 588876749 /nfs/dbraw/zinc/87/67/49/588876749.db2.gz HQXBBQPZGIYINL-UHFFFAOYSA-N 1 2 225.683 1.086 20 0 BDADLO C[C@@H](CCCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000892883875 583004500 /nfs/dbraw/zinc/00/45/00/583004500.db2.gz QTZNZEXYHVLMMK-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO C[C@@H](CCCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000892883875 583004502 /nfs/dbraw/zinc/00/45/02/583004502.db2.gz QTZNZEXYHVLMMK-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CN(C)c1cc(N2CCC3(CCC3)C2)nc[nH+]1 ZINC000892899772 583006637 /nfs/dbraw/zinc/00/66/37/583006637.db2.gz GUIHSGNQFCGHOE-UHFFFAOYSA-N 1 2 232.331 1.923 20 0 BDADLO CN(C)c1cc(N2CCC3(CCC3)C2)[nH+]cn1 ZINC000892899772 583006640 /nfs/dbraw/zinc/00/66/40/583006640.db2.gz GUIHSGNQFCGHOE-UHFFFAOYSA-N 1 2 232.331 1.923 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCOC2)[nH+]1 ZINC000892953816 583018732 /nfs/dbraw/zinc/01/87/32/583018732.db2.gz KUNRUDFATCUKEB-IUCAKERBSA-N 1 2 208.261 1.336 20 0 BDADLO CCc1cc(N2C[C@@H](C)[C@H](O)C2)nc(CC)[nH+]1 ZINC000893080916 583044893 /nfs/dbraw/zinc/04/48/93/583044893.db2.gz VDBQHCHNMJMEGP-MWLCHTKSSA-N 1 2 235.331 1.418 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC000893128858 583054008 /nfs/dbraw/zinc/05/40/08/583054008.db2.gz ZEZGZOBGUJBNJG-DTWKUNHWSA-N 1 2 224.308 1.114 20 0 BDADLO C[C@@H](O)C[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893128858 583054009 /nfs/dbraw/zinc/05/40/09/583054009.db2.gz ZEZGZOBGUJBNJG-DTWKUNHWSA-N 1 2 224.308 1.114 20 0 BDADLO C[C@H](C[S@@](C)=O)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893139439 583056304 /nfs/dbraw/zinc/05/63/04/583056304.db2.gz MTRMRFFFRLBPFI-YNEJBJPTSA-N 1 2 242.344 1.314 20 0 BDADLO COCC1([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000893167031 583062124 /nfs/dbraw/zinc/06/21/24/583062124.db2.gz FNXSBJUGKJGANF-UHFFFAOYSA-N 1 2 239.344 1.684 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000856722080 588875062 /nfs/dbraw/zinc/87/50/62/588875062.db2.gz RQEGWELKFRLLLD-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO COCC1([NH2+]Cc2nnc(C(C)C)s2)CC1 ZINC000893167932 583062665 /nfs/dbraw/zinc/06/26/65/583062665.db2.gz PWPIZJYOTIJJJH-UHFFFAOYSA-N 1 2 241.360 1.930 20 0 BDADLO CC(=O)OC[C@@H](C)Nc1c[nH+]cc(C)c1 ZINC000893198266 583069396 /nfs/dbraw/zinc/06/93/96/583069396.db2.gz ROEICTBPQRZFEW-SECBINFHSA-N 1 2 208.261 1.754 20 0 BDADLO O=C(N1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000112022027 583083118 /nfs/dbraw/zinc/08/31/18/583083118.db2.gz MQTJGYOWWNTBLD-UHFFFAOYSA-N 1 2 236.237 1.103 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@@H]2CCO)[nH+]cn1 ZINC000893282956 583084469 /nfs/dbraw/zinc/08/44/69/583084469.db2.gz PTNBYLQQIFDXIH-NXEZZACHSA-N 1 2 236.319 1.481 20 0 BDADLO CCC[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCOC1 ZINC000854431062 583085435 /nfs/dbraw/zinc/08/54/35/583085435.db2.gz PLABCVGHICOMTO-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H](CC(=O)NOCC1CCC1)n1cc[nH+]c1 ZINC000856342406 588868228 /nfs/dbraw/zinc/86/82/28/588868228.db2.gz SUOSWAYDNLBTTQ-SNVBAGLBSA-N 1 2 237.303 1.682 20 0 BDADLO CC[C@@H](NC(=O)c1ccnc(C)n1)c1[nH]cc[nH+]1 ZINC000396907572 583093549 /nfs/dbraw/zinc/09/35/49/583093549.db2.gz LQKBMZGORMZHBN-SECBINFHSA-N 1 2 245.286 1.389 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C=CCC1 ZINC000855431584 583104313 /nfs/dbraw/zinc/10/43/13/583104313.db2.gz VWTPOEUKNVQGGE-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C=CCC1 ZINC000855431584 583104314 /nfs/dbraw/zinc/10/43/14/583104314.db2.gz VWTPOEUKNVQGGE-SECBINFHSA-N 1 2 205.261 1.177 20 0 BDADLO CO[C@H](C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893396933 583135516 /nfs/dbraw/zinc/13/55/16/583135516.db2.gz MXCVQKATRNLFGJ-BDAKNGLRSA-N 1 2 210.277 1.582 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893409045 583138888 /nfs/dbraw/zinc/13/88/88/583138888.db2.gz QXOIOSWLCTXLRO-AEJSXWLSSA-N 1 2 224.304 1.970 20 0 BDADLO CC1CC(CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000856857838 588879326 /nfs/dbraw/zinc/87/93/26/588879326.db2.gz LOCBSAGDFYFKNH-UHFFFAOYSA-N 1 2 236.319 1.265 20 0 BDADLO CN1CN(Cc2[nH+]ccc3c2CCCC3)CC1=O ZINC000893483552 583152326 /nfs/dbraw/zinc/15/23/26/583152326.db2.gz SZFCEIKEJGZQHD-UHFFFAOYSA-N 1 2 245.326 1.192 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1cccnc1 ZINC000893515401 583155783 /nfs/dbraw/zinc/15/57/83/583155783.db2.gz GVVSEHWWGHNUHX-NSHDSACASA-N 1 2 243.266 1.888 20 0 BDADLO C[C@@H](O)c1cccc(NCc2cccnn2)[nH+]1 ZINC000893521365 583156837 /nfs/dbraw/zinc/15/68/37/583156837.db2.gz DBNYKVNDVRLKDG-SECBINFHSA-N 1 2 230.271 1.537 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nccn1C1CC1 ZINC000893544688 583160565 /nfs/dbraw/zinc/16/05/65/583160565.db2.gz GQRNMDPSSDIVIB-VIFPVBQESA-N 1 2 209.293 1.031 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nccn1C1CC1 ZINC000893544688 583160567 /nfs/dbraw/zinc/16/05/67/583160567.db2.gz GQRNMDPSSDIVIB-VIFPVBQESA-N 1 2 209.293 1.031 20 0 BDADLO CN(C)c1cc(N[C@@H]2CSC2(C)C)[nH+]cn1 ZINC000893728526 583215731 /nfs/dbraw/zinc/21/57/31/583215731.db2.gz UDIVCOOUTQHHFB-MRVPVSSYSA-N 1 2 238.360 1.849 20 0 BDADLO CN(C)c1cc(N[C@@H]2CSC2(C)C)nc[nH+]1 ZINC000893728526 583215733 /nfs/dbraw/zinc/21/57/33/583215733.db2.gz UDIVCOOUTQHHFB-MRVPVSSYSA-N 1 2 238.360 1.849 20 0 BDADLO CNc1cc(N2CCC[C@H]2[C@H]2CCCO2)nc[nH+]1 ZINC000893735780 583216531 /nfs/dbraw/zinc/21/65/31/583216531.db2.gz TVXPPWKULPTJDE-WDEREUQCSA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CCC[C@H]2[C@H]2CCCO2)[nH+]cn1 ZINC000893735780 583216533 /nfs/dbraw/zinc/21/65/33/583216533.db2.gz TVXPPWKULPTJDE-WDEREUQCSA-N 1 2 248.330 1.666 20 0 BDADLO C[C@H](NC(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000893844391 583232072 /nfs/dbraw/zinc/23/20/72/583232072.db2.gz CUHZIDORDZBVOA-VIFPVBQESA-N 1 2 236.319 1.408 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1[nH]nc(C)c1C ZINC000893917569 583247317 /nfs/dbraw/zinc/24/73/17/583247317.db2.gz BANMMCTURWTZCM-NSHDSACASA-N 1 2 237.303 1.164 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1[nH]nc(C)c1C ZINC000893917569 583247318 /nfs/dbraw/zinc/24/73/18/583247318.db2.gz BANMMCTURWTZCM-NSHDSACASA-N 1 2 237.303 1.164 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1nc(N)[nH+]c(C2CC2)n1 ZINC000893917204 583247446 /nfs/dbraw/zinc/24/74/46/583247446.db2.gz TXZDAOPFGSDVIZ-RNFRBKRXSA-N 1 2 237.307 1.167 20 0 BDADLO CO[C@H](C)[C@@H](C)Nc1nc(N)nc(C2CC2)[nH+]1 ZINC000893917204 583247448 /nfs/dbraw/zinc/24/74/48/583247448.db2.gz TXZDAOPFGSDVIZ-RNFRBKRXSA-N 1 2 237.307 1.167 20 0 BDADLO CCC[N@H+](C)Cc1nc(Br)nn1C ZINC000893925926 583249595 /nfs/dbraw/zinc/24/95/95/583249595.db2.gz XCBKDWQCGQJZKK-UHFFFAOYSA-N 1 2 247.140 1.419 20 0 BDADLO CCC[N@@H+](C)Cc1nc(Br)nn1C ZINC000893925926 583249597 /nfs/dbraw/zinc/24/95/97/583249597.db2.gz XCBKDWQCGQJZKK-UHFFFAOYSA-N 1 2 247.140 1.419 20 0 BDADLO Cc1coc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000893908680 583250269 /nfs/dbraw/zinc/25/02/69/583250269.db2.gz BSTZCXBMGSHQEO-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1coc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000893908680 583250271 /nfs/dbraw/zinc/25/02/71/583250271.db2.gz BSTZCXBMGSHQEO-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CCc1nc(N2CC3(C2)CCOCC3)cc[nH+]1 ZINC000893942110 583256120 /nfs/dbraw/zinc/25/61/20/583256120.db2.gz ZTIBQHIZHNFGDE-UHFFFAOYSA-N 1 2 233.315 1.656 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000893950665 583260157 /nfs/dbraw/zinc/26/01/57/583260157.db2.gz KZOCYNZYVNVBPI-IXYVEGFRSA-N 1 2 241.331 1.485 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ocnc1C ZINC000893996033 583267275 /nfs/dbraw/zinc/26/72/75/583267275.db2.gz XZIVNLCNVZTGJN-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ocnc1C ZINC000893996031 583268170 /nfs/dbraw/zinc/26/81/70/583268170.db2.gz XZIVNLCNVZTGJN-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ocnc1C ZINC000893996031 583268171 /nfs/dbraw/zinc/26/81/71/583268171.db2.gz XZIVNLCNVZTGJN-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1cccc(F)c1 ZINC000893983389 583269380 /nfs/dbraw/zinc/26/93/80/583269380.db2.gz BFVZMUQMBZJOHP-USEMIUTHSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1cccc(F)c1 ZINC000893983389 583269381 /nfs/dbraw/zinc/26/93/81/583269381.db2.gz BFVZMUQMBZJOHP-USEMIUTHSA-N 1 2 248.301 1.659 20 0 BDADLO Cc1coc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000894017680 583273940 /nfs/dbraw/zinc/27/39/40/583273940.db2.gz RPONMQFSULLWKK-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1coc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000894017680 583273941 /nfs/dbraw/zinc/27/39/41/583273941.db2.gz RPONMQFSULLWKK-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CC(C)c1c[nH]c(CN(C)Cc2cc[nH]n2)[nH+]1 ZINC000894017649 583273964 /nfs/dbraw/zinc/27/39/64/583273964.db2.gz QRLRLAILINNWSZ-UHFFFAOYSA-N 1 2 233.319 1.888 20 0 BDADLO CN1CC[N@H+](C/C=C\c2cccc(F)c2)CC1=O ZINC000894032934 583277577 /nfs/dbraw/zinc/27/75/77/583277577.db2.gz UQVIDEBYZLUNED-HYXAFXHYSA-N 1 2 248.301 1.613 20 0 BDADLO CN1CC[N@@H+](C/C=C\c2cccc(F)c2)CC1=O ZINC000894032934 583277578 /nfs/dbraw/zinc/27/75/78/583277578.db2.gz UQVIDEBYZLUNED-HYXAFXHYSA-N 1 2 248.301 1.613 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)co2)[C@H](C)C1 ZINC000894035162 583279338 /nfs/dbraw/zinc/27/93/38/583279338.db2.gz VZQFNNNLPBLGNC-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)co2)[C@H](C)C1 ZINC000894035162 583279340 /nfs/dbraw/zinc/27/93/40/583279340.db2.gz VZQFNNNLPBLGNC-LLVKDONJSA-N 1 2 236.315 1.641 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOCC23CCC3)c1C ZINC000894035219 583279958 /nfs/dbraw/zinc/27/99/58/583279958.db2.gz FUTMVTPMVTUWFE-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOCC23CCC3)c1C ZINC000894035219 583279960 /nfs/dbraw/zinc/27/99/60/583279960.db2.gz FUTMVTPMVTUWFE-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO CC(C)c1c[nH]c(CN(C)Cc2cn[nH]c2)[nH+]1 ZINC000894026980 583280538 /nfs/dbraw/zinc/28/05/38/583280538.db2.gz KXDYHNPKTKLHGR-UHFFFAOYSA-N 1 2 233.319 1.888 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000894026225 583280951 /nfs/dbraw/zinc/28/09/51/583280951.db2.gz JZUOOSHWUWWOBP-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000894026225 583280954 /nfs/dbraw/zinc/28/09/54/583280954.db2.gz JZUOOSHWUWWOBP-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO CN(C)c1cc(NCC2=CCOCC2)[nH+]cn1 ZINC000894028679 583281921 /nfs/dbraw/zinc/28/19/21/583281921.db2.gz PZBOORAHXYNPFC-UHFFFAOYSA-N 1 2 234.303 1.301 20 0 BDADLO CN(C)c1cc(NCC2=CCOCC2)nc[nH+]1 ZINC000894028679 583281925 /nfs/dbraw/zinc/28/19/25/583281925.db2.gz PZBOORAHXYNPFC-UHFFFAOYSA-N 1 2 234.303 1.301 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000894039857 583283490 /nfs/dbraw/zinc/28/34/90/583283490.db2.gz NBBQHCYYVOVELA-GDLVEWKHSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000894039857 583283495 /nfs/dbraw/zinc/28/34/95/583283495.db2.gz NBBQHCYYVOVELA-GDLVEWKHSA-N 1 2 241.356 1.929 20 0 BDADLO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C(F)F ZINC000894049239 583288537 /nfs/dbraw/zinc/28/85/37/583288537.db2.gz HGGKJSOYYYIZFG-ZETCQYMHSA-N 1 2 239.225 1.718 20 0 BDADLO CO[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1C ZINC000894063051 583292493 /nfs/dbraw/zinc/29/24/93/583292493.db2.gz JBCRZQYAQQQOCB-JQWIXIFHSA-N 1 2 246.314 1.591 20 0 BDADLO CC[C@H](Nc1cc(N(C)C)nc[nH+]1)[C@@H](C)O ZINC000894076830 583297609 /nfs/dbraw/zinc/29/76/09/583297609.db2.gz PNDFVGUOTDJVBB-BDAKNGLRSA-N 1 2 224.308 1.114 20 0 BDADLO CC[C@H](Nc1cc(N(C)C)[nH+]cn1)[C@@H](C)O ZINC000894076830 583297612 /nfs/dbraw/zinc/29/76/12/583297612.db2.gz PNDFVGUOTDJVBB-BDAKNGLRSA-N 1 2 224.308 1.114 20 0 BDADLO CN(C)c1cc(N[C@H]2CC23CCOCC3)[nH+]cn1 ZINC000894079782 583298117 /nfs/dbraw/zinc/29/81/17/583298117.db2.gz HFJBQQWGWHXQQZ-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO CN(C)c1cc(N[C@H]2CC23CCOCC3)nc[nH+]1 ZINC000894079782 583298120 /nfs/dbraw/zinc/29/81/20/583298120.db2.gz HFJBQQWGWHXQQZ-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2n[nH]c(C)c2C)C[C@H]1O ZINC000894095788 583300643 /nfs/dbraw/zinc/30/06/43/583300643.db2.gz RZZNFWIMNYHLIU-ZYHUDNBSSA-N 1 2 223.320 1.229 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2n[nH]c(C)c2C)C[C@H]1O ZINC000894095788 583300644 /nfs/dbraw/zinc/30/06/44/583300644.db2.gz RZZNFWIMNYHLIU-ZYHUDNBSSA-N 1 2 223.320 1.229 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@H](O)C2CCC2)[nH+]1 ZINC000894118007 583310516 /nfs/dbraw/zinc/31/05/16/583310516.db2.gz FXABWAPUYCARTD-SKDRFNHKSA-N 1 2 236.315 1.708 20 0 BDADLO CCc1cc(C[NH2+]Cc2c(C)ccnc2N)on1 ZINC000894137516 583314804 /nfs/dbraw/zinc/31/48/04/583314804.db2.gz BWGUYPSTQPURLT-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO COC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C1CC1 ZINC000894168851 583324506 /nfs/dbraw/zinc/32/45/06/583324506.db2.gz WQYHIZHOJBHLHQ-SECBINFHSA-N 1 2 237.303 1.211 20 0 BDADLO Cc1conc1C[N@H+](C)C[C@H]1CCCO1 ZINC000877973226 583355245 /nfs/dbraw/zinc/35/52/45/583355245.db2.gz WYJDSQMGZYVDPA-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1conc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000877973226 583355247 /nfs/dbraw/zinc/35/52/47/583355247.db2.gz WYJDSQMGZYVDPA-SNVBAGLBSA-N 1 2 210.277 1.594 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CN1CCC1=O ZINC000857237636 588900930 /nfs/dbraw/zinc/90/09/30/588900930.db2.gz YEAZXLCAYZURMY-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1CN1CCC1=O ZINC000857237636 588900932 /nfs/dbraw/zinc/90/09/32/588900932.db2.gz YEAZXLCAYZURMY-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1CCCNC(=O)C1 ZINC000726791271 583375056 /nfs/dbraw/zinc/37/50/56/583375056.db2.gz LIPFFMWPHCOWHE-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1CCCNC(=O)C1 ZINC000726791271 583375059 /nfs/dbraw/zinc/37/50/59/583375059.db2.gz LIPFFMWPHCOWHE-UHFFFAOYSA-N 1 2 248.326 1.326 20 0 BDADLO CNc1cc(N2CCC[C@@H](CO)[C@H]2C)nc[nH+]1 ZINC000894222404 583382905 /nfs/dbraw/zinc/38/29/05/583382905.db2.gz PDNUTYWOVMRXNN-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CCC[C@@H](CO)[C@H]2C)[nH+]cn1 ZINC000894222404 583382907 /nfs/dbraw/zinc/38/29/07/583382907.db2.gz PDNUTYWOVMRXNN-ZJUUUORDSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](O)c1cccc(NCC2(CC(N)=O)CC2)[nH+]1 ZINC000894239140 583386561 /nfs/dbraw/zinc/38/65/61/583386561.db2.gz IKOYMBAZMDBPFZ-SECBINFHSA-N 1 2 249.314 1.202 20 0 BDADLO CC[C@H]1C[C@@H](Nc2cc(NC)nc[nH+]2)CCO1 ZINC000894249213 583391197 /nfs/dbraw/zinc/39/11/97/583391197.db2.gz PJMHKMPKSMCYAQ-UWVGGRQHSA-N 1 2 236.319 1.888 20 0 BDADLO CC[N@H+](CCC(F)(F)F)CN1CCC1=O ZINC000857231659 588896019 /nfs/dbraw/zinc/89/60/19/588896019.db2.gz AWCTTXSWDXDKFA-UHFFFAOYSA-N 1 2 224.226 1.451 20 0 BDADLO CC[N@@H+](CCC(F)(F)F)CN1CCC1=O ZINC000857231659 588896021 /nfs/dbraw/zinc/89/60/21/588896021.db2.gz AWCTTXSWDXDKFA-UHFFFAOYSA-N 1 2 224.226 1.451 20 0 BDADLO COc1ccc(C[N@H+](C)CN2CCC2=O)cc1 ZINC000857228594 588896619 /nfs/dbraw/zinc/89/66/19/588896619.db2.gz AZTBRZLTFUAYCZ-UHFFFAOYSA-N 1 2 234.299 1.317 20 0 BDADLO COc1ccc(C[N@@H+](C)CN2CCC2=O)cc1 ZINC000857228594 588896620 /nfs/dbraw/zinc/89/66/20/588896620.db2.gz AZTBRZLTFUAYCZ-UHFFFAOYSA-N 1 2 234.299 1.317 20 0 BDADLO CC(C)[C@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000366603794 583415840 /nfs/dbraw/zinc/41/58/40/583415840.db2.gz RKIWJIHQFQKURL-NXEZZACHSA-N 1 2 225.292 1.223 20 0 BDADLO CC(C)[C@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000366603794 583415844 /nfs/dbraw/zinc/41/58/44/583415844.db2.gz RKIWJIHQFQKURL-NXEZZACHSA-N 1 2 225.292 1.223 20 0 BDADLO C[N@H+](CCOc1ccccc1)CN1CCC1=O ZINC000857229638 588897119 /nfs/dbraw/zinc/89/71/19/588897119.db2.gz YLNKTMCTZJUDQL-UHFFFAOYSA-N 1 2 234.299 1.187 20 0 BDADLO C[N@@H+](CCOc1ccccc1)CN1CCC1=O ZINC000857229638 588897120 /nfs/dbraw/zinc/89/71/20/588897120.db2.gz YLNKTMCTZJUDQL-UHFFFAOYSA-N 1 2 234.299 1.187 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)n1 ZINC000879317878 583422765 /nfs/dbraw/zinc/42/27/65/583422765.db2.gz MYXZSLBNOZYDQL-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)n1 ZINC000879317878 583422768 /nfs/dbraw/zinc/42/27/68/583422768.db2.gz MYXZSLBNOZYDQL-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)n1 ZINC000879317877 583422966 /nfs/dbraw/zinc/42/29/66/583422966.db2.gz MYXZSLBNOZYDQL-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1noc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)n1 ZINC000879317877 583422967 /nfs/dbraw/zinc/42/29/67/583422967.db2.gz MYXZSLBNOZYDQL-UWVGGRQHSA-N 1 2 239.319 1.631 20 0 BDADLO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1c[nH]cn1 ZINC000894340344 583428516 /nfs/dbraw/zinc/42/85/16/583428516.db2.gz NNHVBERCMIIPNJ-CHWSQXEVSA-N 1 2 229.283 1.158 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@@H]4OCC[C@@H]4C3)c12 ZINC000894348567 583432132 /nfs/dbraw/zinc/43/21/32/583432132.db2.gz KGPVUAIVVOODNB-PWSUYJOCSA-N 1 2 244.298 1.345 20 0 BDADLO CCc1noc(CC)c1C[NH2+]Cc1cnc[nH]1 ZINC000894352528 583433730 /nfs/dbraw/zinc/43/37/30/583433730.db2.gz OSTHFUPIKRSTQT-UHFFFAOYSA-N 1 2 234.303 1.812 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894354680 583434253 /nfs/dbraw/zinc/43/42/53/583434253.db2.gz XHWCFQKFNKPSAV-ZJUUUORDSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894354680 583434256 /nfs/dbraw/zinc/43/42/56/583434256.db2.gz XHWCFQKFNKPSAV-ZJUUUORDSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@H](C)C[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894354678 583434458 /nfs/dbraw/zinc/43/44/58/583434458.db2.gz XHWCFQKFNKPSAV-UWVGGRQHSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@H](C)C[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894354678 583434460 /nfs/dbraw/zinc/43/44/60/583434460.db2.gz XHWCFQKFNKPSAV-UWVGGRQHSA-N 1 2 238.335 1.727 20 0 BDADLO Nc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(C2CC2)[nH+]1 ZINC000894388949 583445572 /nfs/dbraw/zinc/44/55/72/583445572.db2.gz MFLJEBLBIUQZRP-HLTSFMKQSA-N 1 2 247.302 1.063 20 0 BDADLO Nc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]c(C2CC2)n1 ZINC000894388949 583445573 /nfs/dbraw/zinc/44/55/73/583445573.db2.gz MFLJEBLBIUQZRP-HLTSFMKQSA-N 1 2 247.302 1.063 20 0 BDADLO CNc1cc(N[C@H](C)COCC2CC2)nc[nH+]1 ZINC000894397603 583448345 /nfs/dbraw/zinc/44/83/45/583448345.db2.gz OHSIGEYONCCDPR-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO CNc1cc(N[C@H](C)COCC2CC2)[nH+]cn1 ZINC000894397603 583448348 /nfs/dbraw/zinc/44/83/48/583448348.db2.gz OHSIGEYONCCDPR-SECBINFHSA-N 1 2 236.319 1.745 20 0 BDADLO Cc1ccnc(N)c1C[N@H+](C)Cc1cccnc1 ZINC000894421834 583455256 /nfs/dbraw/zinc/45/52/56/583455256.db2.gz HSZIUJNTOODSHT-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+](C)Cc1cccnc1 ZINC000894421834 583455259 /nfs/dbraw/zinc/45/52/59/583455259.db2.gz HSZIUJNTOODSHT-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1nonc1C ZINC000894463075 583465447 /nfs/dbraw/zinc/46/54/47/583465447.db2.gz CLBFWDWKQJZQRI-UHFFFAOYSA-N 1 2 236.275 1.527 20 0 BDADLO O[C@H]1CCOc2c(NCc3c[nH+]c[nH]3)cccc21 ZINC000894469563 583467890 /nfs/dbraw/zinc/46/78/90/583467890.db2.gz IKGDKMJAAULTJB-LBPRGKRZSA-N 1 2 245.282 1.838 20 0 BDADLO O[C@H]1CCOc2c(NCc3c[nH]c[nH+]3)cccc21 ZINC000894469563 583467893 /nfs/dbraw/zinc/46/78/93/583467893.db2.gz IKGDKMJAAULTJB-LBPRGKRZSA-N 1 2 245.282 1.838 20 0 BDADLO Cc1[nH]nc(C[NH+]2CCC(C)(CO)CC2)c1C ZINC000894469080 583468014 /nfs/dbraw/zinc/46/80/14/583468014.db2.gz JZCXYZJBHSSKLW-UHFFFAOYSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(F)cc2C)[nH]1 ZINC000894468071 583468169 /nfs/dbraw/zinc/46/81/69/583468169.db2.gz SMLPPTSAMPIQKU-QMMMGPOBSA-N 1 2 249.293 1.806 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC000894497273 583472449 /nfs/dbraw/zinc/47/24/49/583472449.db2.gz JQLDUJVCMBICFR-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@]23CCOC3=O)c1 ZINC000894497273 583472450 /nfs/dbraw/zinc/47/24/50/583472450.db2.gz JQLDUJVCMBICFR-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000894497275 583472938 /nfs/dbraw/zinc/47/29/38/583472938.db2.gz JQLDUJVCMBICFR-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000894497275 583472940 /nfs/dbraw/zinc/47/29/40/583472940.db2.gz JQLDUJVCMBICFR-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C(=O)OC ZINC000894539161 583479779 /nfs/dbraw/zinc/47/97/79/583479779.db2.gz PMZCZXMLEZQDGI-WOPDTQHZSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000894566482 583484323 /nfs/dbraw/zinc/48/43/23/583484323.db2.gz KUNZLUWVBSYSBS-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000894566482 583484325 /nfs/dbraw/zinc/48/43/25/583484325.db2.gz KUNZLUWVBSYSBS-ABKXIKBNSA-N 1 2 242.344 1.326 20 0 BDADLO C[C@@H](O)c1cccc(NCc2ncccn2)[nH+]1 ZINC000894593436 583493018 /nfs/dbraw/zinc/49/30/18/583493018.db2.gz LKXBYNINFLUXJL-SECBINFHSA-N 1 2 230.271 1.537 20 0 BDADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1CO ZINC000894677479 583504464 /nfs/dbraw/zinc/50/44/64/583504464.db2.gz SESMIJMWQZPVPJ-GHMZBOCLSA-N 1 2 246.314 1.184 20 0 BDADLO CC1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000857736546 588907216 /nfs/dbraw/zinc/90/72/16/588907216.db2.gz MKGLQTKPGBNHAQ-UHFFFAOYSA-N 1 2 207.277 1.115 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOCC12CC2 ZINC000894683802 583507500 /nfs/dbraw/zinc/50/75/00/583507500.db2.gz FKPKVDMBWGYMSL-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOCC12CC2 ZINC000894683802 583507502 /nfs/dbraw/zinc/50/75/02/583507502.db2.gz FKPKVDMBWGYMSL-UHFFFAOYSA-N 1 2 208.261 1.348 20 0 BDADLO CNc1cc(N[C@H](CO)CCC(C)C)nc[nH+]1 ZINC000894724857 583515269 /nfs/dbraw/zinc/51/52/69/583515269.db2.gz AQXYCXKNVQKINC-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO CNc1cc(N[C@H](CO)CCC(C)C)[nH+]cn1 ZINC000894724857 583515270 /nfs/dbraw/zinc/51/52/70/583515270.db2.gz AQXYCXKNVQKINC-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(C(C)(C)C)co1 ZINC000894753120 583516412 /nfs/dbraw/zinc/51/64/12/583516412.db2.gz JAMBLGJGJBPEQX-NXEZZACHSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC000894753120 583516413 /nfs/dbraw/zinc/51/64/13/583516413.db2.gz JAMBLGJGJBPEQX-NXEZZACHSA-N 1 2 238.331 1.927 20 0 BDADLO CCOC(=O)c1cc(NCc2c[nH+]c[nH]2)cn1C ZINC000894779827 583520291 /nfs/dbraw/zinc/52/02/91/583520291.db2.gz PXLZNLIRDPVRJD-UHFFFAOYSA-N 1 2 248.286 1.537 20 0 BDADLO CCOC(=O)c1cc(NCc2c[nH]c[nH+]2)cn1C ZINC000894779827 583520293 /nfs/dbraw/zinc/52/02/93/583520293.db2.gz PXLZNLIRDPVRJD-UHFFFAOYSA-N 1 2 248.286 1.537 20 0 BDADLO CC(C)CCCC[NH+]1CC(S(C)(=O)=O)C1 ZINC000894803388 583522275 /nfs/dbraw/zinc/52/22/75/583522275.db2.gz XHFKMRLXYVHZKM-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)cnc1F ZINC000894821040 583524845 /nfs/dbraw/zinc/52/48/45/583524845.db2.gz AUQJUZBAVXWHKI-UHFFFAOYSA-N 1 2 238.306 1.732 20 0 BDADLO COC1C[NH+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000894820284 583525144 /nfs/dbraw/zinc/52/51/44/583525144.db2.gz UQONZZXZVKLSCN-UHFFFAOYSA-N 1 2 234.255 1.364 20 0 BDADLO Cc1nn(C(C)C)c(C)c1C[NH+]1CC(C)(O)C1 ZINC000894831661 583527916 /nfs/dbraw/zinc/52/79/16/583527916.db2.gz YMYCBYFYHOYVPT-UHFFFAOYSA-N 1 2 237.347 1.647 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C3CCC3)nn2)[C@H]1C ZINC000894862579 583537087 /nfs/dbraw/zinc/53/70/87/583537087.db2.gz ZEMAPIGYBATYAX-ZJUUUORDSA-N 1 2 220.320 1.843 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)[C@H]1C ZINC000894862579 583537088 /nfs/dbraw/zinc/53/70/88/583537088.db2.gz ZEMAPIGYBATYAX-ZJUUUORDSA-N 1 2 220.320 1.843 20 0 BDADLO Cc1cc(N[C@@H]2COC[C@@H]2O)nc(C2CCC2)[nH+]1 ZINC000894866828 583537569 /nfs/dbraw/zinc/53/75/69/583537569.db2.gz FKFJUYXXSFLJOX-MNOVXSKESA-N 1 2 249.314 1.224 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](CO)C2)nc(CC)[nH+]1 ZINC000894867872 583538347 /nfs/dbraw/zinc/53/83/47/583538347.db2.gz UFMKTJWAHPGIKH-JGZJWPJOSA-N 1 2 235.331 1.784 20 0 BDADLO CN(c1nccn2c[nH+]cc12)[C@@H]1CCCC[C@H]1O ZINC000894867733 583538465 /nfs/dbraw/zinc/53/84/65/583538465.db2.gz XWYBSWICEIIPSV-ZYHUDNBSSA-N 1 2 246.314 1.469 20 0 BDADLO Cc1n[nH]c(C[N@H+](C2CC2)C2COC2)c1C ZINC000894868809 583538826 /nfs/dbraw/zinc/53/88/26/583538826.db2.gz HXUSREOFKSCKLF-UHFFFAOYSA-N 1 2 221.304 1.390 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C2CC2)C2COC2)c1C ZINC000894868809 583538827 /nfs/dbraw/zinc/53/88/27/583538827.db2.gz HXUSREOFKSCKLF-UHFFFAOYSA-N 1 2 221.304 1.390 20 0 BDADLO CS[C@@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894880120 583543754 /nfs/dbraw/zinc/54/37/54/583543754.db2.gz IPDIYTIWJPDOAH-SNVBAGLBSA-N 1 2 225.361 1.964 20 0 BDADLO CS[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894880120 583543755 /nfs/dbraw/zinc/54/37/55/583543755.db2.gz IPDIYTIWJPDOAH-SNVBAGLBSA-N 1 2 225.361 1.964 20 0 BDADLO CC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000140947860 583546079 /nfs/dbraw/zinc/54/60/79/583546079.db2.gz DJZDXFDXFFSWLO-SNVBAGLBSA-N 1 2 242.319 1.174 20 0 BDADLO CC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000140947860 583546081 /nfs/dbraw/zinc/54/60/81/583546081.db2.gz DJZDXFDXFFSWLO-SNVBAGLBSA-N 1 2 242.319 1.174 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2ncncc2C1 ZINC000880599833 583548199 /nfs/dbraw/zinc/54/81/99/583548199.db2.gz RHQYSIVXWKIFHO-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2ncncc2C1 ZINC000880599833 583548201 /nfs/dbraw/zinc/54/82/01/583548201.db2.gz RHQYSIVXWKIFHO-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO C=Cn1cc(C[NH+]2CC(C(F)(F)F)C2)cn1 ZINC000894892062 583548550 /nfs/dbraw/zinc/54/85/50/583548550.db2.gz WBNQICBYOGQVCI-UHFFFAOYSA-N 1 2 231.221 1.978 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@H](O)C(F)F)[nH+]1 ZINC000894916814 583555273 /nfs/dbraw/zinc/55/52/73/583555273.db2.gz XEHUFEKXTNPDGL-APPZFPTMSA-N 1 2 246.257 1.563 20 0 BDADLO CC(C)(C)OC(=O)C1CN(Cc2c[nH+]c[nH]2)C1 ZINC000894969055 583560519 /nfs/dbraw/zinc/56/05/19/583560519.db2.gz DHFKKGPHIPTFMM-UHFFFAOYSA-N 1 2 237.303 1.183 20 0 BDADLO CC(C)(C)OC(=O)C1CN(Cc2c[nH]c[nH+]2)C1 ZINC000894969055 583560521 /nfs/dbraw/zinc/56/05/21/583560521.db2.gz DHFKKGPHIPTFMM-UHFFFAOYSA-N 1 2 237.303 1.183 20 0 BDADLO CC1(O)C[NH+](C/C=C/c2cccc(F)c2)C1 ZINC000894977004 583563395 /nfs/dbraw/zinc/56/33/95/583563395.db2.gz PXZJONRYTWTNAT-HWKANZROSA-N 1 2 221.275 1.906 20 0 BDADLO CCn1cc(CNc2cc(CO)cc[nH+]2)c(C)n1 ZINC000894988919 583565373 /nfs/dbraw/zinc/56/53/73/583565373.db2.gz MQEXKSVSXOHEBM-UHFFFAOYSA-N 1 2 246.314 1.711 20 0 BDADLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccon3)C2)[nH]1 ZINC000895012510 583567870 /nfs/dbraw/zinc/56/78/70/583567870.db2.gz MNYNGEPKCOKEIN-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccon3)C2)[nH]1 ZINC000895012510 583567871 /nfs/dbraw/zinc/56/78/71/583567871.db2.gz MNYNGEPKCOKEIN-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccon3)C2)n1 ZINC000895012510 583567873 /nfs/dbraw/zinc/56/78/73/583567873.db2.gz MNYNGEPKCOKEIN-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccon3)C2)n1 ZINC000895012510 583567875 /nfs/dbraw/zinc/56/78/75/583567875.db2.gz MNYNGEPKCOKEIN-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](Cc3ccon3)C2)n[nH]1 ZINC000895012510 583567876 /nfs/dbraw/zinc/56/78/76/583567876.db2.gz MNYNGEPKCOKEIN-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccon3)C2)n[nH]1 ZINC000895012510 583567878 /nfs/dbraw/zinc/56/78/78/583567878.db2.gz MNYNGEPKCOKEIN-SECBINFHSA-N 1 2 233.275 1.091 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](CC3(F)CC3)C2)n[nH]1 ZINC000895013310 583568122 /nfs/dbraw/zinc/56/81/22/583568122.db2.gz RWRQPZUUTCACFF-VIFPVBQESA-N 1 2 224.283 1.405 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](CC3(F)CC3)C2)n[nH]1 ZINC000895013310 583568124 /nfs/dbraw/zinc/56/81/24/583568124.db2.gz RWRQPZUUTCACFF-VIFPVBQESA-N 1 2 224.283 1.405 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000895012657 583568557 /nfs/dbraw/zinc/56/85/57/583568557.db2.gz SXFQIBPNHUCVSV-SNVBAGLBSA-N 1 2 246.318 1.134 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000895012657 583568559 /nfs/dbraw/zinc/56/85/59/583568559.db2.gz SXFQIBPNHUCVSV-SNVBAGLBSA-N 1 2 246.318 1.134 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)n1 ZINC000895012657 583568560 /nfs/dbraw/zinc/56/85/60/583568560.db2.gz SXFQIBPNHUCVSV-SNVBAGLBSA-N 1 2 246.318 1.134 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)n1 ZINC000895012657 583568562 /nfs/dbraw/zinc/56/85/62/583568562.db2.gz SXFQIBPNHUCVSV-SNVBAGLBSA-N 1 2 246.318 1.134 20 0 BDADLO Cc1ccoc1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895018215 583569875 /nfs/dbraw/zinc/56/98/75/583569875.db2.gz MDRQEHBULYVXIN-UHFFFAOYSA-N 1 2 248.286 1.321 20 0 BDADLO CC[C@@H](C[NH2+]Cc1cn[nH]c1C)C(=O)OC ZINC000895119833 583593787 /nfs/dbraw/zinc/59/37/87/583593787.db2.gz HXMGKXRSBXBUIJ-VIFPVBQESA-N 1 2 225.292 1.007 20 0 BDADLO CC/C=C/CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895141699 583603259 /nfs/dbraw/zinc/60/32/59/583603259.db2.gz WSXDEBUDCLDQTO-SNAWJCMRSA-N 1 2 222.292 1.186 20 0 BDADLO CCONC(=O)C[NH2+]C1CC2(C1)CCCC2 ZINC000895174975 583615015 /nfs/dbraw/zinc/61/50/15/583615015.db2.gz JFFPVNQDHQQEDI-UHFFFAOYSA-N 1 2 226.320 1.367 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCSC1)c1n[nH]c(=O)n1C ZINC000895179287 583617113 /nfs/dbraw/zinc/61/71/13/583617113.db2.gz FWWKFLPDGOGUTO-JGVFFNPUSA-N 1 2 242.348 1.067 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCSC1)c1n[nH]c(=O)n1C ZINC000895179289 583617225 /nfs/dbraw/zinc/61/72/25/583617225.db2.gz FWWKFLPDGOGUTO-YUMQZZPRSA-N 1 2 242.348 1.067 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)COC(C)=O)c1 ZINC000895187614 583619982 /nfs/dbraw/zinc/61/99/82/583619982.db2.gz VESAWARSMPZJNB-SECBINFHSA-N 1 2 238.287 1.592 20 0 BDADLO CCn1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)n1 ZINC000857870817 588917452 /nfs/dbraw/zinc/91/74/52/588917452.db2.gz ZGFTYCHBJPORSF-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO CCn1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)n1 ZINC000857870817 588917454 /nfs/dbraw/zinc/91/74/54/588917454.db2.gz ZGFTYCHBJPORSF-LBPRGKRZSA-N 1 2 245.330 1.793 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)c2nccn2C)c2[nH+]ccn21 ZINC000857773226 588911149 /nfs/dbraw/zinc/91/11/49/588911149.db2.gz LWERZWOLFWLYED-RKDXNWHRSA-N 1 2 245.286 1.052 20 0 BDADLO CNc1cc(CNc2ncc(C)cn2)cc[nH+]1 ZINC000895256072 583633912 /nfs/dbraw/zinc/63/39/12/583633912.db2.gz ZISMZARJMDHRTI-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO O=C1OCC[C@H]1CC[N@@H+]1Cc2ccncc2C1 ZINC000857876196 588918306 /nfs/dbraw/zinc/91/83/06/588918306.db2.gz NFYOHYLDZVJMPF-SNVBAGLBSA-N 1 2 232.283 1.350 20 0 BDADLO O=C1OCC[C@H]1CC[N@H+]1Cc2ccncc2C1 ZINC000857876196 588918307 /nfs/dbraw/zinc/91/83/07/588918307.db2.gz NFYOHYLDZVJMPF-SNVBAGLBSA-N 1 2 232.283 1.350 20 0 BDADLO Cc1nc(CN(C)Cc2[nH]cc(C(C)C)[nH+]2)no1 ZINC000895352801 583656507 /nfs/dbraw/zinc/65/65/07/583656507.db2.gz BTOYMQXWNONTHT-UHFFFAOYSA-N 1 2 249.318 1.857 20 0 BDADLO COc1cc(NCc2c[nH+]c[nH]2)cnc1OC ZINC000895392008 583664091 /nfs/dbraw/zinc/66/40/91/583664091.db2.gz JFWOMTNIASZHSQ-UHFFFAOYSA-N 1 2 234.259 1.434 20 0 BDADLO COc1cc(NCc2c[nH]c[nH+]2)cnc1OC ZINC000895392008 583664092 /nfs/dbraw/zinc/66/40/92/583664092.db2.gz JFWOMTNIASZHSQ-UHFFFAOYSA-N 1 2 234.259 1.434 20 0 BDADLO CC(C)C[C@H](C)C[N@H+](C)C1CS(=O)(=O)C1 ZINC000895396644 583664588 /nfs/dbraw/zinc/66/45/88/583664588.db2.gz AGBBTQMYJSARSA-JTQLQIEISA-N 1 2 233.377 1.397 20 0 BDADLO CC(C)C[C@H](C)C[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895396644 583664589 /nfs/dbraw/zinc/66/45/89/583664589.db2.gz AGBBTQMYJSARSA-JTQLQIEISA-N 1 2 233.377 1.397 20 0 BDADLO Cc1nc([C@@H]2CCN(c3cc(C)[nH+]cn3)C2)no1 ZINC000895397916 583665385 /nfs/dbraw/zinc/66/53/85/583665385.db2.gz SWDSCKPREKLEFT-SNVBAGLBSA-N 1 2 245.286 1.470 20 0 BDADLO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccns1 ZINC000895400574 583666810 /nfs/dbraw/zinc/66/68/10/583666810.db2.gz SPTCNSAVWINFET-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO CC1(C)CC(=O)NCC[N@H+]1Cc1ccns1 ZINC000895400574 583666813 /nfs/dbraw/zinc/66/68/13/583666813.db2.gz SPTCNSAVWINFET-UHFFFAOYSA-N 1 2 239.344 1.244 20 0 BDADLO COC1CCC(C[N@@H+]2Cc3cnn(C)c3C2)CC1 ZINC000895428223 583668640 /nfs/dbraw/zinc/66/86/40/583668640.db2.gz SSGLHBWAUBWZPL-UHFFFAOYSA-N 1 2 249.358 1.941 20 0 BDADLO COC1CCC(C[N@H+]2Cc3cnn(C)c3C2)CC1 ZINC000895428223 583668643 /nfs/dbraw/zinc/66/86/43/583668643.db2.gz SSGLHBWAUBWZPL-UHFFFAOYSA-N 1 2 249.358 1.941 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1C[C@H]1CCCOC1 ZINC000895430607 583669479 /nfs/dbraw/zinc/66/94/79/583669479.db2.gz GKONDHFZGDYRML-BDAKNGLRSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1C[C@H]1CCCOC1 ZINC000895430607 583669480 /nfs/dbraw/zinc/66/94/80/583669480.db2.gz GKONDHFZGDYRML-BDAKNGLRSA-N 1 2 205.248 1.752 20 0 BDADLO Cc1cc[nH+]c(N)c1CN1CC[C@H]1C(F)F ZINC000895431459 583670907 /nfs/dbraw/zinc/67/09/07/583670907.db2.gz NFPNJDRZWXQLEN-VIFPVBQESA-N 1 2 227.258 1.812 20 0 BDADLO COC[C@@H](C[N@@H+]1Cc2ccncc2C1)OC ZINC000857883103 588920719 /nfs/dbraw/zinc/92/07/19/588920719.db2.gz ZURIVFOOKSGMBT-GFCCVEGCSA-N 1 2 222.288 1.059 20 0 BDADLO COC[C@@H](C[N@H+]1Cc2ccncc2C1)OC ZINC000857883103 588920720 /nfs/dbraw/zinc/92/07/20/588920720.db2.gz ZURIVFOOKSGMBT-GFCCVEGCSA-N 1 2 222.288 1.059 20 0 BDADLO Cc1nsc(NCc2cc(N(C)C)cc[nH+]2)n1 ZINC000895466340 583678852 /nfs/dbraw/zinc/67/88/52/583678852.db2.gz RNTHVWRULICIKZ-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1=NCCS1 ZINC000895479513 583680378 /nfs/dbraw/zinc/68/03/78/583680378.db2.gz WZXRWMGMTXHAMY-MRVPVSSYSA-N 1 2 241.360 1.078 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1=NCCS1 ZINC000895479513 583680379 /nfs/dbraw/zinc/68/03/79/583680379.db2.gz WZXRWMGMTXHAMY-MRVPVSSYSA-N 1 2 241.360 1.078 20 0 BDADLO COC(=O)/C(C)=C/CNc1cc(C)[nH+]cn1 ZINC000895508980 583681857 /nfs/dbraw/zinc/68/18/57/583681857.db2.gz ODWAOPOVIWKMCA-XBXARRHUSA-N 1 2 221.260 1.316 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000857890162 588921398 /nfs/dbraw/zinc/92/13/98/588921398.db2.gz QXJGGVCUDYKSPV-NBYJVZAFSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)no1 ZINC000895522928 583686333 /nfs/dbraw/zinc/68/63/33/583686333.db2.gz WZKALAWSMVQGLM-SECBINFHSA-N 1 2 237.303 1.794 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)no1 ZINC000895522928 583686334 /nfs/dbraw/zinc/68/63/34/583686334.db2.gz WZKALAWSMVQGLM-SECBINFHSA-N 1 2 237.303 1.794 20 0 BDADLO CCn1cc(C[NH+]2CC(Cc3ccco3)C2)nn1 ZINC000895597185 583695210 /nfs/dbraw/zinc/69/52/10/583695210.db2.gz FZHGHUTXTBBVMG-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO CC(C)CCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000895612970 583696113 /nfs/dbraw/zinc/69/61/13/583696113.db2.gz GUBFYDSWLOCFEC-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO CC(C)CCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895612970 583696115 /nfs/dbraw/zinc/69/61/15/583696115.db2.gz GUBFYDSWLOCFEC-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO COC(=O)C[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@H]1C ZINC000895617422 583697021 /nfs/dbraw/zinc/69/70/21/583697021.db2.gz RGCQYUAMBRDZHG-MWLCHTKSSA-N 1 2 249.314 1.420 20 0 BDADLO CO[C@]1(CNc2c[nH+]c(C)c(C)c2)CCOC1 ZINC000895646676 583698743 /nfs/dbraw/zinc/69/87/43/583698743.db2.gz XOKJTEICQWNZLN-ZDUSSCGKSA-N 1 2 236.315 1.916 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)c(F)cc1F)C2 ZINC000895649149 583699278 /nfs/dbraw/zinc/69/92/78/583699278.db2.gz OILZLROSXQUKHQ-PRHODGIISA-N 1 2 243.228 1.671 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)c(F)cc1F)C2 ZINC000895649149 583699280 /nfs/dbraw/zinc/69/92/80/583699280.db2.gz OILZLROSXQUKHQ-PRHODGIISA-N 1 2 243.228 1.671 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[C@H]2C)c[nH+]1 ZINC000895722539 583712521 /nfs/dbraw/zinc/71/25/21/583712521.db2.gz JARUXIYCNLXPJI-KOLCDFICSA-N 1 2 235.331 1.699 20 0 BDADLO Cc1coc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000895756289 583720318 /nfs/dbraw/zinc/72/03/18/583720318.db2.gz GEFHCCWUSCGTIB-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO Cc1coc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000895756289 583720320 /nfs/dbraw/zinc/72/03/20/583720320.db2.gz GEFHCCWUSCGTIB-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000895764100 583722284 /nfs/dbraw/zinc/72/22/84/583722284.db2.gz FKBNUQHZRXJLFA-RKDXNWHRSA-N 1 2 246.332 1.148 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000895764097 583722524 /nfs/dbraw/zinc/72/25/24/583722524.db2.gz FKBNUQHZRXJLFA-DTWKUNHWSA-N 1 2 246.332 1.148 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H](c1ncccn1)C1CC1 ZINC000895775614 583726039 /nfs/dbraw/zinc/72/60/39/583726039.db2.gz QXONVHXSJRKYAF-GFCCVEGCSA-N 1 2 244.273 1.996 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000895803387 583731508 /nfs/dbraw/zinc/73/15/08/583731508.db2.gz HSPPOSOPTGNNKM-STQMWFEESA-N 1 2 231.295 1.449 20 0 BDADLO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCOC1=O ZINC000895804917 583732307 /nfs/dbraw/zinc/73/23/07/583732307.db2.gz OBHKOEUWRKPMFC-WPRPVWTQSA-N 1 2 225.313 1.584 20 0 BDADLO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000895811469 583733197 /nfs/dbraw/zinc/73/31/97/583733197.db2.gz HURFQLVROWCNJG-AXFHLTTASA-N 1 2 241.331 1.484 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1nccs1 ZINC000857978519 588925604 /nfs/dbraw/zinc/92/56/04/588925604.db2.gz HLBLURKSHGMEEL-ZETCQYMHSA-N 1 2 234.284 1.214 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983265 588925783 /nfs/dbraw/zinc/92/57/83/588925783.db2.gz YSIIJTJDHJRJIM-HBNTYKKESA-N 1 2 233.315 1.736 20 0 BDADLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985444 588925809 /nfs/dbraw/zinc/92/58/09/588925809.db2.gz KGOJNKXGPODGBZ-MRVPVSSYSA-N 1 2 235.287 1.059 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963695 588925845 /nfs/dbraw/zinc/92/58/45/588925845.db2.gz YMUWUFYQKGZSLY-KSXVILFYSA-N 1 2 219.288 1.280 20 0 BDADLO COCc1cc(C[N@H+](C)CCCF)no1 ZINC000895895708 583743681 /nfs/dbraw/zinc/74/36/81/583743681.db2.gz CZNAIHLMUSGXLA-UHFFFAOYSA-N 1 2 216.256 1.612 20 0 BDADLO COCc1cc(C[N@@H+](C)CCCF)no1 ZINC000895895708 583743684 /nfs/dbraw/zinc/74/36/84/583743684.db2.gz CZNAIHLMUSGXLA-UHFFFAOYSA-N 1 2 216.256 1.612 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccoc2)[C@@H](C)C(=O)N1C ZINC000895923303 583747436 /nfs/dbraw/zinc/74/74/36/583747436.db2.gz WGIXJFGOZJBUNI-MXWKQRLJSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccoc2)[C@@H](C)C(=O)N1C ZINC000895923303 583747437 /nfs/dbraw/zinc/74/74/37/583747437.db2.gz WGIXJFGOZJBUNI-MXWKQRLJSA-N 1 2 236.315 1.719 20 0 BDADLO CC(C)Cc1noc(C2([NH+](C)C)CC2)n1 ZINC000895940927 583749956 /nfs/dbraw/zinc/74/99/56/583749956.db2.gz DZYXMDUAMKLRLE-UHFFFAOYSA-N 1 2 209.293 1.819 20 0 BDADLO Cc1nn(C)c(C)c1C[NH+]1CC(OC(C)C)C1 ZINC000895953185 583752054 /nfs/dbraw/zinc/75/20/54/583752054.db2.gz UMFWYDRKDKNQPZ-UHFFFAOYSA-N 1 2 237.347 1.646 20 0 BDADLO CC(C(=O)N[C@H]1CCn2c[nH+]cc21)=C1CCC1 ZINC000857978654 588926773 /nfs/dbraw/zinc/92/67/73/588926773.db2.gz POELJHQAZGJNDB-NSHDSACASA-N 1 2 231.299 1.945 20 0 BDADLO COCC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857978368 588926779 /nfs/dbraw/zinc/92/67/79/588926779.db2.gz MYGFGZIAMOABGG-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CC1(F)F ZINC000857976913 588926795 /nfs/dbraw/zinc/92/67/95/588926795.db2.gz OMAYAZNSKDIOGA-BQBZGAKWSA-N 1 2 227.214 1.099 20 0 BDADLO COc1ccccc1C[N@@H+]1CCO[C@@H](OC)C1 ZINC000895970782 583755939 /nfs/dbraw/zinc/75/59/39/583755939.db2.gz VGHWJTPCCIUNDC-CYBMUJFWSA-N 1 2 237.299 1.500 20 0 BDADLO COc1ccccc1C[N@H+]1CCO[C@@H](OC)C1 ZINC000895970782 583755941 /nfs/dbraw/zinc/75/59/41/583755941.db2.gz VGHWJTPCCIUNDC-CYBMUJFWSA-N 1 2 237.299 1.500 20 0 BDADLO CS[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980602 588927271 /nfs/dbraw/zinc/92/72/71/588927271.db2.gz LYCJWQRKQKJMGY-RKDXNWHRSA-N 1 2 239.344 1.586 20 0 BDADLO CCn1cc(CNc2c[nH+]c(C)c(C)c2)nn1 ZINC000896020434 583763966 /nfs/dbraw/zinc/76/39/66/583763966.db2.gz ATHCVEAMFJOUGJ-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO COCC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980146 588927582 /nfs/dbraw/zinc/92/75/82/588927582.db2.gz IRJCTYHOJUNXEQ-VIFPVBQESA-N 1 2 237.303 1.117 20 0 BDADLO CC[C@@](C)(OC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979119 588927632 /nfs/dbraw/zinc/92/76/32/588927632.db2.gz NDXXXXSGXDOTGQ-BXKDBHETSA-N 1 2 237.303 1.259 20 0 BDADLO CC(C)[C@@H](F)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982731 588927732 /nfs/dbraw/zinc/92/77/32/588927732.db2.gz RASWGASVRMCQDW-PSASIEDQSA-N 1 2 225.267 1.438 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857982341 588927905 /nfs/dbraw/zinc/92/79/05/588927905.db2.gz HZXQRELQTIQRHY-QMMMGPOBSA-N 1 2 205.261 1.244 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCCS1 ZINC000857984088 588928550 /nfs/dbraw/zinc/92/85/50/588928550.db2.gz XPTZQFLTYSOIKH-PSASIEDQSA-N 1 2 237.328 1.340 20 0 BDADLO O=C(CC[C@@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984271 588928584 /nfs/dbraw/zinc/92/85/84/588928584.db2.gz APDFVPJOWSMAEX-WDEREUQCSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(F)nc1 ZINC000857984908 588928677 /nfs/dbraw/zinc/92/86/77/588928677.db2.gz FOUCZLHAFGMPGM-SECBINFHSA-N 1 2 246.245 1.292 20 0 BDADLO O=C(/C=C/C1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983735 588928819 /nfs/dbraw/zinc/92/88/19/588928819.db2.gz DCEFGHRXLSAYIV-FSIBCCDJSA-N 1 2 217.272 1.410 20 0 BDADLO CCC[C@H](O)CCNc1nc[nH+]c(C)c1OC ZINC000896186033 583781218 /nfs/dbraw/zinc/78/12/18/583781218.db2.gz LMSLIFRGCQPVHW-JTQLQIEISA-N 1 2 239.319 1.757 20 0 BDADLO C[NH+](C)C1(c2nc([C@H]3CCCOC3)no2)CC1 ZINC000896259211 583785728 /nfs/dbraw/zinc/78/57/28/583785728.db2.gz RNTLYBYOHGIZKG-VIFPVBQESA-N 1 2 237.303 1.514 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc[nH]c1 ZINC000857987720 588929216 /nfs/dbraw/zinc/92/92/16/588929216.db2.gz YXTLHUWAZQIBSF-SECBINFHSA-N 1 2 216.244 1.086 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC2CCC2)c[nH+]1 ZINC000896251842 583786675 /nfs/dbraw/zinc/78/66/75/583786675.db2.gz STILQSRRUXIZTO-UHFFFAOYSA-N 1 2 221.304 1.595 20 0 BDADLO CCOC(=O)[C@@H]1CCN(c2cc(CC)[nH+]cn2)C1 ZINC000896264103 583787637 /nfs/dbraw/zinc/78/76/37/583787637.db2.gz DLHNZSQZPLBBHG-SNVBAGLBSA-N 1 2 249.314 1.428 20 0 BDADLO CC(C)=C(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987638 588929491 /nfs/dbraw/zinc/92/94/91/588929491.db2.gz XJWOMQAPYDBLLV-SNVBAGLBSA-N 1 2 219.288 1.800 20 0 BDADLO Cc1ncsc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986239 588929513 /nfs/dbraw/zinc/92/95/13/588929513.db2.gz OBRUTVNRZATLBE-MRVPVSSYSA-N 1 2 248.311 1.523 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986270 588929515 /nfs/dbraw/zinc/92/95/15/588929515.db2.gz OMDYZQZMNNCLJI-NXEZZACHSA-N 1 2 221.304 1.880 20 0 BDADLO CCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857990055 588929650 /nfs/dbraw/zinc/92/96/50/588929650.db2.gz MGKFQPWEOFMSCV-VIFPVBQESA-N 1 2 207.277 1.634 20 0 BDADLO O=C(Cc1ccsc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990093 588930076 /nfs/dbraw/zinc/93/00/76/588930076.db2.gz MXMZSRPWTLDULC-SNVBAGLBSA-N 1 2 247.323 1.748 20 0 BDADLO CCO[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000896404763 583799774 /nfs/dbraw/zinc/79/97/74/583799774.db2.gz QGTSKURRMJTSAV-JTQLQIEISA-N 1 2 232.287 1.345 20 0 BDADLO CCO[C@H]1CCN(c2nc[nH+]c(C)c2OC)C1 ZINC000896404924 583799938 /nfs/dbraw/zinc/79/99/38/583799938.db2.gz JIALOLKOESFAKI-JTQLQIEISA-N 1 2 237.303 1.409 20 0 BDADLO CC[C@H](CO)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999361 588930438 /nfs/dbraw/zinc/93/04/38/588930438.db2.gz ZQRVJRWSUCVNDI-SNVBAGLBSA-N 1 2 249.314 1.167 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC000896578684 583814393 /nfs/dbraw/zinc/81/43/93/583814393.db2.gz VBJHHEFQKXZONB-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCO[C@@H](C)CC2)n1 ZINC000896578684 583814394 /nfs/dbraw/zinc/81/43/94/583814394.db2.gz VBJHHEFQKXZONB-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cnc(F)cn1)C2 ZINC000896654988 583821299 /nfs/dbraw/zinc/82/12/99/583821299.db2.gz RYUFDZITSUMBFS-UHFFFAOYSA-N 1 2 247.277 1.395 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ccc(F)cn1)C2 ZINC000896653821 583821396 /nfs/dbraw/zinc/82/13/96/583821396.db2.gz HFMVHYGYRGVMPW-UHFFFAOYSA-N 1 2 246.289 2.000 20 0 BDADLO COC[C@@H](OC)c1noc([C@H](C)[NH+](C)C)n1 ZINC000896654981 583821488 /nfs/dbraw/zinc/82/14/88/583821488.db2.gz XRUBNOMXQDRSHE-JGVFFNPUSA-N 1 2 229.280 1.026 20 0 BDADLO Fc1c[nH+]ccc1NCc1noc2c1COCC2 ZINC000896711369 583825680 /nfs/dbraw/zinc/82/56/80/583825680.db2.gz HNGKBTBKEFPDBI-UHFFFAOYSA-N 1 2 249.245 1.315 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCn3cccc3C2)n1 ZINC000896760794 583830985 /nfs/dbraw/zinc/83/09/85/583830985.db2.gz GNUDHWIZZFSLKP-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCn3cccc3C2)n1 ZINC000896760794 583830988 /nfs/dbraw/zinc/83/09/88/583830988.db2.gz GNUDHWIZZFSLKP-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO CCn1nccc1C[N@@H+]1CCn2cccc2C1 ZINC000896761532 583831202 /nfs/dbraw/zinc/83/12/02/583831202.db2.gz ROHHLCCFZCMKIC-UHFFFAOYSA-N 1 2 230.315 1.720 20 0 BDADLO CCn1nccc1C[N@H+]1CCn2cccc2C1 ZINC000896761532 583831203 /nfs/dbraw/zinc/83/12/03/583831203.db2.gz ROHHLCCFZCMKIC-UHFFFAOYSA-N 1 2 230.315 1.720 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCn3cccc3C2)n1 ZINC000896761616 583831762 /nfs/dbraw/zinc/83/17/62/583831762.db2.gz UCXWOXKZDLBAKC-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCn3cccc3C2)n1 ZINC000896761616 583831765 /nfs/dbraw/zinc/83/17/65/583831765.db2.gz UCXWOXKZDLBAKC-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N(C)c2cn[nH]c2)c[nH+]1 ZINC000896787610 583833511 /nfs/dbraw/zinc/83/35/11/583833511.db2.gz KIPWGLSVYCTHLB-UHFFFAOYSA-N 1 2 247.302 1.313 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(F)CC2)[nH+]c1C ZINC000896906305 583851201 /nfs/dbraw/zinc/85/12/01/583851201.db2.gz AEHSOHZDWSMPFL-UHFFFAOYSA-N 1 2 211.240 1.145 20 0 BDADLO Cc1[nH]c(CNC(=O)CCCF)[nH+]c1C ZINC000896907435 583851676 /nfs/dbraw/zinc/85/16/76/583851676.db2.gz LVNZOFBODRFJIZ-UHFFFAOYSA-N 1 2 213.256 1.392 20 0 BDADLO CC[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)[C@H](C)O ZINC000896910958 583853105 /nfs/dbraw/zinc/85/31/05/583853105.db2.gz IAGONADBZHNEJA-UWVGGRQHSA-N 1 2 239.319 1.050 20 0 BDADLO CSCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919662 583855810 /nfs/dbraw/zinc/85/58/10/583855810.db2.gz WUBBWDZLDLPKQJ-UHFFFAOYSA-N 1 2 241.360 1.786 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CC(C)(C)CC[C@H]1C ZINC000896922958 583856931 /nfs/dbraw/zinc/85/69/31/583856931.db2.gz ABKXTXNSXSNBQM-NXEZZACHSA-N 1 2 228.336 1.468 20 0 BDADLO Cc1[nH]c(CNC(=O)C[C@@H]2CCCO2)[nH+]c1C ZINC000896922947 583856965 /nfs/dbraw/zinc/85/69/65/583856965.db2.gz ZTIILFJOKNGIQE-JTQLQIEISA-N 1 2 237.303 1.212 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000896924411 583857828 /nfs/dbraw/zinc/85/78/28/583857828.db2.gz MFMCLZABVRRNNK-NWDGAFQWSA-N 1 2 240.347 1.779 20 0 BDADLO CONC(=O)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000896925100 583857990 /nfs/dbraw/zinc/85/79/90/583857990.db2.gz UNLDIGRXKAFPMI-LLVKDONJSA-N 1 2 236.315 1.366 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)CC(C)(C)C ZINC000896927618 583859352 /nfs/dbraw/zinc/85/93/52/583859352.db2.gz RTXNLJXSMKKWCX-MRVPVSSYSA-N 1 2 202.298 1.078 20 0 BDADLO CC[C@H]1C[C@H](C[NH2+]Cc2c[nH]nn2)CCO1 ZINC000858198659 588938633 /nfs/dbraw/zinc/93/86/33/588938633.db2.gz XPUCKPAPVYHQKI-KOLCDFICSA-N 1 2 224.308 1.100 20 0 BDADLO CC[C@H]1C[C@H](C[NH2+]Cc2cn[nH]n2)CCO1 ZINC000858198659 588938634 /nfs/dbraw/zinc/93/86/34/588938634.db2.gz XPUCKPAPVYHQKI-KOLCDFICSA-N 1 2 224.308 1.100 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)CCC=C(C)C ZINC000896926718 583860077 /nfs/dbraw/zinc/86/00/77/583860077.db2.gz LKZLGHSGWVZETI-SNVBAGLBSA-N 1 2 214.309 1.389 20 0 BDADLO Cc1nc(NC2CC3(C2)CO[C@H](C)C3)nc(N)[nH+]1 ZINC000897047255 583873412 /nfs/dbraw/zinc/87/34/12/583873412.db2.gz ZCRNZMPWXHXYLF-SFTGTGPNSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC2CC3(C2)CO[C@H](C)C3)[nH+]1 ZINC000897047255 583873413 /nfs/dbraw/zinc/87/34/13/583873413.db2.gz ZCRNZMPWXHXYLF-SFTGTGPNSA-N 1 2 249.318 1.132 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000897062651 583876714 /nfs/dbraw/zinc/87/67/14/583876714.db2.gz WPPPOHVNPUGMMQ-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000897062651 583876716 /nfs/dbraw/zinc/87/67/16/583876716.db2.gz WPPPOHVNPUGMMQ-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1cc(N(C)C)[nH+]cn1 ZINC000897142569 583883784 /nfs/dbraw/zinc/88/37/84/583883784.db2.gz OJRCXMFFDOGCGR-ZJUUUORDSA-N 1 2 236.319 1.156 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1cc(N(C)C)nc[nH+]1 ZINC000897142569 583883785 /nfs/dbraw/zinc/88/37/85/583883785.db2.gz OJRCXMFFDOGCGR-ZJUUUORDSA-N 1 2 236.319 1.156 20 0 BDADLO Nc1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000897177142 583890149 /nfs/dbraw/zinc/89/01/49/583890149.db2.gz KFAWGZKXAHEEJE-IVZWLZJFSA-N 1 2 245.330 1.932 20 0 BDADLO Nc1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)[nH+]c(C2CC2)n1 ZINC000897177142 583890150 /nfs/dbraw/zinc/89/01/50/583890150.db2.gz KFAWGZKXAHEEJE-IVZWLZJFSA-N 1 2 245.330 1.932 20 0 BDADLO C[C@@H](CC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000728544666 583896724 /nfs/dbraw/zinc/89/67/24/583896724.db2.gz KGIYYJCUSITYKS-VIFPVBQESA-N 1 2 221.304 1.473 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1cccs1 ZINC000728548109 583897912 /nfs/dbraw/zinc/89/79/12/583897912.db2.gz YXYNNUZTLJBILP-SNAWJCMRSA-N 1 2 247.323 1.811 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537312 583910041 /nfs/dbraw/zinc/91/00/41/583910041.db2.gz HEUMYWGRNSDQHL-UPELFTJXSA-N 1 2 237.278 1.578 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000897295227 583911635 /nfs/dbraw/zinc/91/16/35/583911635.db2.gz NKFOQHQRVHUSHF-DCAQKATOSA-N 1 2 249.314 1.498 20 0 BDADLO Cc1nc(N[C@@H]2CCOC23CCCC3)nc(N)[nH+]1 ZINC000897322326 583922054 /nfs/dbraw/zinc/92/20/54/583922054.db2.gz CQNIYNYPKXWWEH-SECBINFHSA-N 1 2 249.318 1.276 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCOC23CCCC3)[nH+]1 ZINC000897322326 583922055 /nfs/dbraw/zinc/92/20/55/583922055.db2.gz CQNIYNYPKXWWEH-SECBINFHSA-N 1 2 249.318 1.276 20 0 BDADLO CC[S@](=O)CCNc1nc[nH+]c2c1CCC2 ZINC000123725594 583940479 /nfs/dbraw/zinc/94/04/79/583940479.db2.gz OEKLJDCSMZUKHX-MRXNPFEDSA-N 1 2 239.344 1.146 20 0 BDADLO COCC[N@H+](CC[S@@](C)=O)Cc1ccco1 ZINC000798194308 583940632 /nfs/dbraw/zinc/94/06/32/583940632.db2.gz ZQXDSLAXOIUORE-MRXNPFEDSA-N 1 2 245.344 1.107 20 0 BDADLO COCC[N@@H+](CC[S@@](C)=O)Cc1ccco1 ZINC000798194308 583940634 /nfs/dbraw/zinc/94/06/34/583940634.db2.gz ZQXDSLAXOIUORE-MRXNPFEDSA-N 1 2 245.344 1.107 20 0 BDADLO Cc1c(C[N@@H+]2CC[C@@](F)(CO)C2)ccnc1F ZINC000862358112 583961658 /nfs/dbraw/zinc/96/16/58/583961658.db2.gz UUXGGOGBXHAQCK-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1c(C[N@H+]2CC[C@@](F)(CO)C2)ccnc1F ZINC000862358112 583961659 /nfs/dbraw/zinc/96/16/59/583961659.db2.gz UUXGGOGBXHAQCK-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1COC[C@@H]1C1CC1 ZINC000897449740 583986983 /nfs/dbraw/zinc/98/69/83/583986983.db2.gz DFVOIGFVSFFIIJ-BXKDBHETSA-N 1 2 222.263 1.480 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889590066 583990401 /nfs/dbraw/zinc/99/04/01/583990401.db2.gz GXBOJGYRQCPNGA-JHJVBQTASA-N 1 2 247.342 1.968 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)OCCn2cc[nH+]c2)O1 ZINC000800307334 583992657 /nfs/dbraw/zinc/99/26/57/583992657.db2.gz WCNDMBBJMJVMQM-MXWKQRLJSA-N 1 2 238.287 1.240 20 0 BDADLO CCC/C=C\C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729385136 583996634 /nfs/dbraw/zinc/99/66/34/583996634.db2.gz OQKWYQPYAAONLW-FOQNGQEVSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C\C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729385136 583996635 /nfs/dbraw/zinc/99/66/35/583996635.db2.gz OQKWYQPYAAONLW-FOQNGQEVSA-N 1 2 240.347 1.180 20 0 BDADLO COc1c(N)[nH+]cnc1NC/C=C/Cl ZINC000897504778 583998456 /nfs/dbraw/zinc/99/84/56/583998456.db2.gz ZNEBYZZDSSMFDS-NSCUHMNNSA-N 1 2 214.656 1.232 20 0 BDADLO COc1c(N)nc[nH+]c1NC/C=C/Cl ZINC000897504778 583998458 /nfs/dbraw/zinc/99/84/58/583998458.db2.gz ZNEBYZZDSSMFDS-NSCUHMNNSA-N 1 2 214.656 1.232 20 0 BDADLO C[NH+]1CCN(CCCCCn2cccn2)CC1 ZINC000729470714 584014987 /nfs/dbraw/zinc/01/49/87/584014987.db2.gz QJVMBVHQDXBSIE-UHFFFAOYSA-N 1 2 236.363 1.301 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1O ZINC000897681037 584039073 /nfs/dbraw/zinc/03/90/73/584039073.db2.gz XZXAUEDXAPOSGV-SVRRBLITSA-N 1 2 249.236 1.241 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1O ZINC000897681037 584039075 /nfs/dbraw/zinc/03/90/75/584039075.db2.gz XZXAUEDXAPOSGV-SVRRBLITSA-N 1 2 249.236 1.241 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1O ZINC000897681038 584039186 /nfs/dbraw/zinc/03/91/86/584039186.db2.gz XZXAUEDXAPOSGV-XPUUQOCRSA-N 1 2 249.236 1.241 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1O ZINC000897681038 584039187 /nfs/dbraw/zinc/03/91/87/584039187.db2.gz XZXAUEDXAPOSGV-XPUUQOCRSA-N 1 2 249.236 1.241 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC(N3CCCC3=O)C2)o1 ZINC000897783889 584048086 /nfs/dbraw/zinc/04/80/86/584048086.db2.gz LNTFMCZJAJAEIW-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC ZINC000897834299 584052490 /nfs/dbraw/zinc/05/24/90/584052490.db2.gz MHACNQBSAQUIQK-ZYHUDNBSSA-N 1 2 231.336 1.733 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CF)c[nH+]1 ZINC000897837997 584053703 /nfs/dbraw/zinc/05/37/03/584053703.db2.gz OEIQQZKABZJDCX-QMMMGPOBSA-N 1 2 227.283 1.401 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC(C)(F)F)c[nH+]1 ZINC000897853023 584054436 /nfs/dbraw/zinc/05/44/36/584054436.db2.gz PZGHAMXXUBEHKR-UHFFFAOYSA-N 1 2 245.273 1.698 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccc2nonc2c1 ZINC000897995326 584069660 /nfs/dbraw/zinc/06/96/60/584069660.db2.gz YFHZHTYVWOSYDY-UHFFFAOYSA-N 1 2 243.270 1.544 20 0 BDADLO COc1ncc(C[NH2+]Cc2cn(C)cn2)s1 ZINC000898043042 584080813 /nfs/dbraw/zinc/08/08/13/584080813.db2.gz BZKVFQAXMOWUMX-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cnn(C)c2C2CC2)c1 ZINC000898042594 584080941 /nfs/dbraw/zinc/08/09/41/584080941.db2.gz SQPMWHLFQLCCOV-UHFFFAOYSA-N 1 2 245.330 1.321 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000898098626 584085449 /nfs/dbraw/zinc/08/54/49/584085449.db2.gz BEGBSNYSDRGDEL-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO Cn1cc(C[NH+]2CC(Cc3ccoc3)C2)nn1 ZINC000898160937 584088262 /nfs/dbraw/zinc/08/82/62/584088262.db2.gz ZYNMJVAYWMNFFX-UHFFFAOYSA-N 1 2 232.287 1.083 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c(C)n1 ZINC000898184350 584093432 /nfs/dbraw/zinc/09/34/32/584093432.db2.gz SRVKBHGBHRXBQX-NEPJUHHUSA-N 1 2 241.310 1.116 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c(C)n1 ZINC000898184350 584093433 /nfs/dbraw/zinc/09/34/33/584093433.db2.gz SRVKBHGBHRXBQX-NEPJUHHUSA-N 1 2 241.310 1.116 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898188025 584094041 /nfs/dbraw/zinc/09/40/41/584094041.db2.gz NMUHYDRJKPJKOP-VXGBXAGGSA-N 1 2 243.278 1.331 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898188025 584094042 /nfs/dbraw/zinc/09/40/42/584094042.db2.gz NMUHYDRJKPJKOP-VXGBXAGGSA-N 1 2 243.278 1.331 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898187071 584094459 /nfs/dbraw/zinc/09/44/59/584094459.db2.gz CRPURJXSJOXCLL-RYUDHWBXSA-N 1 2 241.310 1.369 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC=C(Cl)Cl ZINC000898306967 584109957 /nfs/dbraw/zinc/10/99/57/584109957.db2.gz IXRYZALNBXIATA-UHFFFAOYSA-N 1 2 248.113 1.778 20 0 BDADLO CCc1cc(N[C@@H](C)c2ccnn2C)nc[nH+]1 ZINC000866252349 584116924 /nfs/dbraw/zinc/11/69/24/584116924.db2.gz XPKKWYHELGYBFX-VIFPVBQESA-N 1 2 231.303 1.946 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485255 584139388 /nfs/dbraw/zinc/13/93/88/584139388.db2.gz DVWVRGZDKKFNCQ-WDEREUQCSA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898485255 584139390 /nfs/dbraw/zinc/13/93/90/584139390.db2.gz DVWVRGZDKKFNCQ-WDEREUQCSA-N 1 2 230.327 1.583 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccco1 ZINC000898483848 584139479 /nfs/dbraw/zinc/13/94/79/584139479.db2.gz NYMRNHFYPUXSSU-SNVBAGLBSA-N 1 2 240.278 1.443 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccco1 ZINC000898483848 584139480 /nfs/dbraw/zinc/13/94/80/584139480.db2.gz NYMRNHFYPUXSSU-SNVBAGLBSA-N 1 2 240.278 1.443 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898499742 584140041 /nfs/dbraw/zinc/14/00/41/584140041.db2.gz RACGOIKGJCEMPC-MNOVXSKESA-N 1 2 248.317 1.531 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898499742 584140042 /nfs/dbraw/zinc/14/00/42/584140042.db2.gz RACGOIKGJCEMPC-MNOVXSKESA-N 1 2 248.317 1.531 20 0 BDADLO C[N@@H+]1CC[C@H](C(=O)NOc2ccc(F)cc2)C1 ZINC000898573834 584142248 /nfs/dbraw/zinc/14/22/48/584142248.db2.gz TUJJPNJBROBPMA-VIFPVBQESA-N 1 2 238.262 1.187 20 0 BDADLO C[N@H+]1CC[C@H](C(=O)NOc2ccc(F)cc2)C1 ZINC000898573834 584142251 /nfs/dbraw/zinc/14/22/51/584142251.db2.gz TUJJPNJBROBPMA-VIFPVBQESA-N 1 2 238.262 1.187 20 0 BDADLO CCc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000898579480 584143758 /nfs/dbraw/zinc/14/37/58/584143758.db2.gz RYKAPRSWKKDWFS-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CCc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000898579480 584143760 /nfs/dbraw/zinc/14/37/60/584143760.db2.gz RYKAPRSWKKDWFS-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO O=C(NCC1CC=CC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000858500022 588960517 /nfs/dbraw/zinc/96/05/17/588960517.db2.gz SVENBQBMRASMKS-LLVKDONJSA-N 1 2 246.314 1.593 20 0 BDADLO C/C=C\CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000858499796 588960585 /nfs/dbraw/zinc/96/05/85/588960585.db2.gz NZADEECRGPNQPI-XADBCAIWSA-N 1 2 220.276 1.203 20 0 BDADLO C[C@@H]1CN(C(=O)NCc2cn(C)c[nH+]2)C[C@H]1C ZINC000898628411 584147287 /nfs/dbraw/zinc/14/72/87/584147287.db2.gz SKWILNNRWMQKQJ-NXEZZACHSA-N 1 2 236.319 1.218 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC23CCC(CC2)C3)c1 ZINC000898620028 584147854 /nfs/dbraw/zinc/14/78/54/584147854.db2.gz GHRGBLJEEDIGDJ-UHFFFAOYSA-N 1 2 248.330 1.552 20 0 BDADLO CCN(CC1CC1)C(=O)NCc1cn(C)c[nH+]1 ZINC000898619994 584147992 /nfs/dbraw/zinc/14/79/92/584147992.db2.gz FICVSRTXERIHBM-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000898810294 584159999 /nfs/dbraw/zinc/15/99/99/584159999.db2.gz KBVUIBRTVVRSSP-VIFPVBQESA-N 1 2 231.255 1.659 20 0 BDADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC(C)(C)C ZINC000898880873 584161584 /nfs/dbraw/zinc/16/15/84/584161584.db2.gz HFWAWQDGNNQGHI-SECBINFHSA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)CCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883004 584163834 /nfs/dbraw/zinc/16/38/34/584163834.db2.gz FQTOKJSEWFPAQV-SNVBAGLBSA-N 1 2 239.319 1.006 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884408 584163938 /nfs/dbraw/zinc/16/39/38/584163938.db2.gz QJBDJMKVBYPDJQ-ZJUUUORDSA-N 1 2 239.319 1.006 20 0 BDADLO CO[C@@H](C)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901844 584164959 /nfs/dbraw/zinc/16/49/59/584164959.db2.gz HLEWHKAZZIYMMO-JTQLQIEISA-N 1 2 239.319 1.159 20 0 BDADLO Cc1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)no1 ZINC000898893941 584165213 /nfs/dbraw/zinc/16/52/13/584165213.db2.gz RECZXURNHGQGER-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO CC(C)(CNC(=O)C1CCC1)n1cc[nH+]c1 ZINC000898893671 584165259 /nfs/dbraw/zinc/16/52/59/584165259.db2.gz PHTHLDVMMVZSJS-UHFFFAOYSA-N 1 2 221.304 1.535 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC/C=C\Cl ZINC000899034376 584171537 /nfs/dbraw/zinc/17/15/37/584171537.db2.gz YDRYCGMKJLVCMJ-IHWYPQMZSA-N 1 2 228.683 1.304 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1CCC=CCC1 ZINC000899804480 584239950 /nfs/dbraw/zinc/23/99/50/584239950.db2.gz NLJWYYVQTDDLIX-UHFFFAOYSA-N 1 2 233.315 1.957 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1CCC=CCC1 ZINC000899804480 584239951 /nfs/dbraw/zinc/23/99/51/584239951.db2.gz NLJWYYVQTDDLIX-UHFFFAOYSA-N 1 2 233.315 1.957 20 0 BDADLO O=C(NC1(C2CC2)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899822903 584240041 /nfs/dbraw/zinc/24/00/41/584240041.db2.gz RRLHIFYTUAAQPF-GHMZBOCLSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(NC1(C2CC2)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899822903 584240043 /nfs/dbraw/zinc/24/00/43/584240043.db2.gz RRLHIFYTUAAQPF-GHMZBOCLSA-N 1 2 245.326 1.962 20 0 BDADLO CCn1cc(C[NH+]2CCC(F)CC2)nn1 ZINC000899888558 584247475 /nfs/dbraw/zinc/24/74/75/584247475.db2.gz MSTMMECHQYKZLK-UHFFFAOYSA-N 1 2 212.272 1.232 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H](C)O1 ZINC000899903839 584250638 /nfs/dbraw/zinc/25/06/38/584250638.db2.gz CVGMUOLWWUOFLU-PHIMTYICSA-N 1 2 249.314 1.129 20 0 BDADLO CC[C@H](C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899905494 584251116 /nfs/dbraw/zinc/25/11/16/584251116.db2.gz VKNSALBZRMYKLA-ZKQHCESOSA-N 1 2 240.347 1.180 20 0 BDADLO CCCCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899918347 584252036 /nfs/dbraw/zinc/25/20/36/584252036.db2.gz XTAZMXWLPXYDDF-ZRDIBKRKSA-N 1 2 240.347 1.181 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000899917593 584255054 /nfs/dbraw/zinc/25/50/54/584255054.db2.gz NHEYSUJYDOSICV-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO CCC(CC)NC(=O)CNc1cccc[nH+]1 ZINC000899929373 584255846 /nfs/dbraw/zinc/25/58/46/584255846.db2.gz ISOTZYGFWZQWRP-UHFFFAOYSA-N 1 2 221.304 1.798 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1C ZINC000899934377 584257942 /nfs/dbraw/zinc/25/79/42/584257942.db2.gz DPAKKKHASQWXIG-SCVCMEIPSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000899934377 584257943 /nfs/dbraw/zinc/25/79/43/584257943.db2.gz DPAKKKHASQWXIG-SCVCMEIPSA-N 1 2 235.331 1.893 20 0 BDADLO CCCN(CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000899937727 584258738 /nfs/dbraw/zinc/25/87/38/584258738.db2.gz RHAWANJZKDCUJC-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2c[nH+]c[nH]2)o1 ZINC000899953700 584259768 /nfs/dbraw/zinc/25/97/68/584259768.db2.gz LLMRJVNAEHDQJH-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccn1 ZINC000899961804 584260229 /nfs/dbraw/zinc/26/02/29/584260229.db2.gz ALPZWLPIGZPANR-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)c1ccccn1 ZINC000899961804 584260233 /nfs/dbraw/zinc/26/02/33/584260233.db2.gz ALPZWLPIGZPANR-VIFPVBQESA-N 1 2 230.271 1.225 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CNc1cccc[nH+]1 ZINC000900073640 584269011 /nfs/dbraw/zinc/26/90/11/584269011.db2.gz OFWZDRXXPCHJNW-SNVBAGLBSA-N 1 2 233.315 1.750 20 0 BDADLO CC(C)CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900076465 584269576 /nfs/dbraw/zinc/26/95/76/584269576.db2.gz MSFHZHUXMHDTOE-JTQLQIEISA-N 1 2 223.320 1.893 20 0 BDADLO CC(C)CC[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900076465 584269577 /nfs/dbraw/zinc/26/95/77/584269577.db2.gz MSFHZHUXMHDTOE-JTQLQIEISA-N 1 2 223.320 1.893 20 0 BDADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900118375 584274837 /nfs/dbraw/zinc/27/48/37/584274837.db2.gz FZRVJOVLPQKGEE-PWSUYJOCSA-N 1 2 235.331 1.989 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000858608429 588970988 /nfs/dbraw/zinc/97/09/88/588970988.db2.gz MGPJJJDKVKMRKE-OCAPTIKFSA-N 1 2 226.226 1.792 20 0 BDADLO Cc1cc(NC(=O)CNc2cccc[nH+]2)n(C)n1 ZINC000900266398 584290471 /nfs/dbraw/zinc/29/04/71/584290471.db2.gz WLXKWZZRRQITMB-UHFFFAOYSA-N 1 2 245.286 1.174 20 0 BDADLO C[C@@H]1CCCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900372036 584298271 /nfs/dbraw/zinc/29/82/71/584298271.db2.gz NCQKBVDFHMJILN-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900372036 584298272 /nfs/dbraw/zinc/29/82/72/584298272.db2.gz NCQKBVDFHMJILN-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO CCc1cc(NCc2cnn(CC)n2)nc[nH+]1 ZINC000858651297 588973244 /nfs/dbraw/zinc/97/32/44/588973244.db2.gz JUVKUEWYJQZWIF-UHFFFAOYSA-N 1 2 232.291 1.263 20 0 BDADLO Cc1ccc2c(c1)N(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000900433547 584309692 /nfs/dbraw/zinc/30/96/92/584309692.db2.gz NMQVOAYWOKEFAQ-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO Cc1ccc2c(c1)N(C(=O)Cc1c[nH]c[nH+]1)CC2 ZINC000900433547 584309694 /nfs/dbraw/zinc/30/96/94/584309694.db2.gz NMQVOAYWOKEFAQ-UHFFFAOYSA-N 1 2 241.294 1.850 20 0 BDADLO Cc1cn2cc(NC(=O)CC3COC3)ccc2[nH+]1 ZINC000900492562 584316849 /nfs/dbraw/zinc/31/68/49/584316849.db2.gz USVWXTLRHHCPKZ-UHFFFAOYSA-N 1 2 245.282 1.618 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)n[nH]1 ZINC000900567060 584326159 /nfs/dbraw/zinc/32/61/59/584326159.db2.gz VVQCWCSNSSELJC-UWVGGRQHSA-N 1 2 249.318 1.069 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)n[nH]1 ZINC000900567060 584326160 /nfs/dbraw/zinc/32/61/60/584326160.db2.gz VVQCWCSNSSELJC-UWVGGRQHSA-N 1 2 249.318 1.069 20 0 BDADLO CCC(=O)c1cn(Cc2cc(C)cc(C)[nH+]2)nn1 ZINC000900621690 584333007 /nfs/dbraw/zinc/33/30/07/584333007.db2.gz KKXFQHWFYBFMHH-UHFFFAOYSA-N 1 2 244.298 1.931 20 0 BDADLO C/C(Cl)=C/C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900629928 584333518 /nfs/dbraw/zinc/33/35/18/584333518.db2.gz PDWOKCLBLISPBP-ALCCZGGFSA-N 1 2 213.668 1.511 20 0 BDADLO CCC(C)(C)C(=O)C(=O)Nc1cc[nH+]c(C)c1 ZINC000900670868 584339815 /nfs/dbraw/zinc/33/98/15/584339815.db2.gz GLVZEIPRQFZYKQ-UHFFFAOYSA-N 1 2 234.299 1.756 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1noc2c1CCCC2 ZINC000900786680 584351681 /nfs/dbraw/zinc/35/16/81/584351681.db2.gz SHZKFVPWUDQLPE-SNVBAGLBSA-N 1 2 249.314 1.586 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1noc2c1CCCC2 ZINC000900786680 584351682 /nfs/dbraw/zinc/35/16/82/584351682.db2.gz SHZKFVPWUDQLPE-SNVBAGLBSA-N 1 2 249.314 1.586 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC(F)(F)F ZINC000900892633 584361627 /nfs/dbraw/zinc/36/16/27/584361627.db2.gz KLPRPVDRTXVMLI-UHFFFAOYSA-N 1 2 221.182 1.021 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCC(F)(F)F ZINC000900892633 584361629 /nfs/dbraw/zinc/36/16/29/584361629.db2.gz KLPRPVDRTXVMLI-UHFFFAOYSA-N 1 2 221.182 1.021 20 0 BDADLO CC[C@H](O)[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001599 584373514 /nfs/dbraw/zinc/37/35/14/584373514.db2.gz YCEDYQYMAOBCOX-XVKPBYJWSA-N 1 2 239.319 1.050 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C/[C@@H]2CCCO2)[nH+]c1C ZINC000901001587 584373601 /nfs/dbraw/zinc/37/36/01/584373601.db2.gz XQEIYLJNOPKGLL-QRGHLMKCSA-N 1 2 249.314 1.378 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@@H]2CCCO2)[nH+]c1C ZINC000901001587 584373604 /nfs/dbraw/zinc/37/36/04/584373604.db2.gz XQEIYLJNOPKGLL-QRGHLMKCSA-N 1 2 249.314 1.378 20 0 BDADLO C[C@H]1OCCN(C(=O)CNc2cccc[nH+]2)[C@H]1C ZINC000901099136 584385369 /nfs/dbraw/zinc/38/53/69/584385369.db2.gz ABFDRUISETYIFR-WDEREUQCSA-N 1 2 249.314 1.129 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC(F)(F)C1 ZINC000901121185 584387202 /nfs/dbraw/zinc/38/72/02/584387202.db2.gz MWAVBDZQXAZQQU-MRVPVSSYSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CCCC(F)(F)C1 ZINC000901121185 584387203 /nfs/dbraw/zinc/38/72/03/584387203.db2.gz MWAVBDZQXAZQQU-MRVPVSSYSA-N 1 2 243.257 1.646 20 0 BDADLO CN(CCC1CC1)C(=O)CNc1cccc[nH+]1 ZINC000901158688 584388585 /nfs/dbraw/zinc/38/85/85/584388585.db2.gz JGMDYKBMYTXLPP-UHFFFAOYSA-N 1 2 233.315 1.752 20 0 BDADLO Cc1cc(NC(=O)CNc2cccc[nH+]2)nn1C ZINC000901169320 584395078 /nfs/dbraw/zinc/39/50/78/584395078.db2.gz XIYMZIITPWJVNI-UHFFFAOYSA-N 1 2 245.286 1.174 20 0 BDADLO CS[C@@H](C)CNC(=O)CNc1cccc[nH+]1 ZINC000901177988 584396255 /nfs/dbraw/zinc/39/62/55/584396255.db2.gz JRYXITGRMRCBIS-VIFPVBQESA-N 1 2 239.344 1.361 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC1=CCCC1 ZINC000901192689 584396688 /nfs/dbraw/zinc/39/66/88/584396688.db2.gz OTJIUBJNKRNMMD-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCCC1=CCCC1 ZINC000901192689 584396689 /nfs/dbraw/zinc/39/66/89/584396689.db2.gz OTJIUBJNKRNMMD-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000901205477 584399658 /nfs/dbraw/zinc/39/96/58/584399658.db2.gz POKLMNKHPOFBSL-MNOVXSKESA-N 1 2 237.303 1.026 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000901205477 584399660 /nfs/dbraw/zinc/39/96/60/584399660.db2.gz POKLMNKHPOFBSL-MNOVXSKESA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CCC(F)(F)CC1 ZINC000901251678 584409684 /nfs/dbraw/zinc/40/96/84/584409684.db2.gz PYTSARIKVQYZJN-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC1CCC(F)(F)CC1 ZINC000901251678 584409685 /nfs/dbraw/zinc/40/96/85/584409685.db2.gz PYTSARIKVQYZJN-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1F ZINC000901351936 584431745 /nfs/dbraw/zinc/43/17/45/584431745.db2.gz RLTNLYIIEOOMGJ-PSASIEDQSA-N 1 2 225.267 1.159 20 0 BDADLO Cc1cn(C)nc1COCc1[nH]cc[nH+]1 ZINC000901531589 584459345 /nfs/dbraw/zinc/45/93/45/584459345.db2.gz ZUZNXBGXWZLUIR-UHFFFAOYSA-N 1 2 206.249 1.168 20 0 BDADLO O=Cc1nc(C=Cc2cn(C3CC3)c[nH+]2)c[nH]1 ZINC000901554743 584462426 /nfs/dbraw/zinc/46/24/26/584462426.db2.gz CWNKKRXJHQLRRK-UPHRSURJSA-N 1 2 228.255 1.924 20 0 BDADLO CCCOC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000858949337 588986786 /nfs/dbraw/zinc/98/67/86/588986786.db2.gz NOBYBOQDMHNASN-QWRGUYRKSA-N 1 2 244.335 1.232 20 0 BDADLO Cc1[nH]c(CNc2cccnn2)[nH+]c1C ZINC000902076281 584519806 /nfs/dbraw/zinc/51/98/06/584519806.db2.gz PYCBEXMGGKFIGX-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO COc1cnc(NCc2[nH+]ccn2C2CC2)nc1 ZINC000902083950 584521147 /nfs/dbraw/zinc/52/11/47/584521147.db2.gz XQGVGFLPXWIRML-UHFFFAOYSA-N 1 2 245.286 1.629 20 0 BDADLO CC(C)n1ncnc1CNc1cc[nH+]cc1F ZINC000902066684 584523339 /nfs/dbraw/zinc/52/33/39/584523339.db2.gz QRQDKZHIXPJXSH-UHFFFAOYSA-N 1 2 235.266 1.427 20 0 BDADLO Cc1[nH]c(CNc2nc3n(n2)CCCC3)[nH+]c1C ZINC000902113755 584526713 /nfs/dbraw/zinc/52/67/13/584526713.db2.gz VCHZUOVQPNIYTJ-UHFFFAOYSA-N 1 2 246.318 1.566 20 0 BDADLO COc1cc(NCc2[nH]c(C)c(C)[nH+]2)ncn1 ZINC000902180827 584532762 /nfs/dbraw/zinc/53/27/62/584532762.db2.gz JBSMMGQFHORVRK-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO O=C1OCCN1C[NH+]1CCC(C(F)F)CC1 ZINC000902188886 584536255 /nfs/dbraw/zinc/53/62/55/584536255.db2.gz OTSMPPWWGWPZKY-UHFFFAOYSA-N 1 2 234.246 1.373 20 0 BDADLO Cc1cc(NCc2c3c(nn2C)CCC3)nc[nH+]1 ZINC000902196859 584536676 /nfs/dbraw/zinc/53/66/76/584536676.db2.gz WZPRSFFBOMBJKA-UHFFFAOYSA-N 1 2 243.314 1.619 20 0 BDADLO CCc1ncc(NCc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000902200240 584537296 /nfs/dbraw/zinc/53/72/96/584537296.db2.gz BQSYGKSCRRKDOM-UHFFFAOYSA-N 1 2 231.303 1.991 20 0 BDADLO Cc1cc(NCc2cnc(N(C)C)nc2)nc[nH+]1 ZINC000902198818 584537353 /nfs/dbraw/zinc/53/73/53/584537353.db2.gz HLQKWFNJDOMMDU-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO CCn1c[nH+]cc1CNc1c(C)ccn(C)c1=O ZINC000902256890 584544621 /nfs/dbraw/zinc/54/46/21/584544621.db2.gz JXALWEYHLNJNEW-UHFFFAOYSA-N 1 2 246.314 1.522 20 0 BDADLO Cn1c[nH+]cc1CNc1cnc(CC2CC2)nc1 ZINC000902260941 584545358 /nfs/dbraw/zinc/54/53/58/584545358.db2.gz KJMMADFIHOGOIB-UHFFFAOYSA-N 1 2 243.314 1.775 20 0 BDADLO CCn1c[nH+]c(CN[C@@H](COC)c2ccco2)c1 ZINC000902290446 584548705 /nfs/dbraw/zinc/54/87/05/584548705.db2.gz CYMKAJCHWIAYPL-LBPRGKRZSA-N 1 2 249.314 1.973 20 0 BDADLO CCn1c[nH+]c(CNCc2ncc(C)s2)c1 ZINC000902277304 584550845 /nfs/dbraw/zinc/55/08/45/584550845.db2.gz GZEWEELWWUEWSN-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1cnc(C[NH2+]Cc2ncc(C)s2)c1 ZINC000902277304 584550846 /nfs/dbraw/zinc/55/08/46/584550846.db2.gz GZEWEELWWUEWSN-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO C[C@H]1C[N@H+](CN2CCOC2=O)CC2(CCC2)O1 ZINC000902306673 584554337 /nfs/dbraw/zinc/55/43/37/584554337.db2.gz XJQKIMKOXGZIIS-JTQLQIEISA-N 1 2 240.303 1.040 20 0 BDADLO C[C@H]1C[N@@H+](CN2CCOC2=O)CC2(CCC2)O1 ZINC000902306673 584554339 /nfs/dbraw/zinc/55/43/39/584554339.db2.gz XJQKIMKOXGZIIS-JTQLQIEISA-N 1 2 240.303 1.040 20 0 BDADLO CCn1c[nH+]c(CNc2ccc(OC)cn2)c1 ZINC000902340573 584557339 /nfs/dbraw/zinc/55/73/39/584557339.db2.gz XJYKSFABLCDKRM-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO NC(=[NH+]OC[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCCO1 ZINC000902383530 584577262 /nfs/dbraw/zinc/57/72/62/584577262.db2.gz UDDTWOAWODLHSP-IRCOFANPSA-N 1 2 236.315 1.876 20 0 BDADLO CCn1cnc(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000902489515 584627419 /nfs/dbraw/zinc/62/74/19/584627419.db2.gz QRYYZZVZGOZAEJ-GFCCVEGCSA-N 1 2 249.314 1.709 20 0 BDADLO CCn1cnc(CNc2ccc(CO)c[nH+]2)c1 ZINC000902568393 584633894 /nfs/dbraw/zinc/63/38/94/584633894.db2.gz CFQXDFXMKVWIOI-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO COc1cc(C)[nH+]c(CONC(=O)N(C)C)c1 ZINC000902604161 584641912 /nfs/dbraw/zinc/64/19/12/584641912.db2.gz LZXUNLKGTHTOFH-UHFFFAOYSA-N 1 2 239.275 1.101 20 0 BDADLO CCC1(CC)CN(C[N@H+]2CC[C@@H]2CO)C(=O)O1 ZINC000902632218 584646745 /nfs/dbraw/zinc/64/67/45/584646745.db2.gz MIFVMDFAVFTIES-SNVBAGLBSA-N 1 2 242.319 1.022 20 0 BDADLO CCC1(CC)CN(C[N@@H+]2CC[C@@H]2CO)C(=O)O1 ZINC000902632218 584646742 /nfs/dbraw/zinc/64/67/42/584646742.db2.gz MIFVMDFAVFTIES-SNVBAGLBSA-N 1 2 242.319 1.022 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000902634578 584648136 /nfs/dbraw/zinc/64/81/36/584648136.db2.gz MXFWQEJKUBNRCF-VIFPVBQESA-N 1 2 241.722 1.438 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000902634578 584648138 /nfs/dbraw/zinc/64/81/38/584648138.db2.gz MXFWQEJKUBNRCF-VIFPVBQESA-N 1 2 241.722 1.438 20 0 BDADLO CCn1cnc(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000902634349 584648617 /nfs/dbraw/zinc/64/86/17/584648617.db2.gz GTUFNQZULODOTD-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CNC(=O)COc1cc(C)[nH+]c2ccc(C)cc21 ZINC000902693370 584656992 /nfs/dbraw/zinc/65/69/92/584656992.db2.gz UJECHFIYYWGHDM-UHFFFAOYSA-N 1 2 244.294 1.976 20 0 BDADLO Cn1c[nH+]c2cc(OCC3OCCO3)ccc21 ZINC000902781550 584670173 /nfs/dbraw/zinc/67/01/73/584670173.db2.gz YNPNIXLAMRNIQK-UHFFFAOYSA-N 1 2 234.255 1.325 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902999079 584714980 /nfs/dbraw/zinc/71/49/80/584714980.db2.gz VDTYNQYZXIWYAD-NSHDSACASA-N 1 2 244.354 1.973 20 0 BDADLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H](F)C1 ZINC000902999079 584714982 /nfs/dbraw/zinc/71/49/82/584714982.db2.gz VDTYNQYZXIWYAD-NSHDSACASA-N 1 2 244.354 1.973 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000610 584715522 /nfs/dbraw/zinc/71/55/22/584715522.db2.gz HQFMCVLDDAGPCD-NXEZZACHSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000610 584715523 /nfs/dbraw/zinc/71/55/23/584715523.db2.gz HQFMCVLDDAGPCD-NXEZZACHSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ncc[nH]1 ZINC000903275099 584742158 /nfs/dbraw/zinc/74/21/58/584742158.db2.gz WQQWLFLCQFJGCD-SECBINFHSA-N 1 2 237.282 1.427 20 0 BDADLO Cc1cc([C@H](C)NC[C@H]2CC[N@@H+]2C)no1 ZINC000903317124 584750320 /nfs/dbraw/zinc/75/03/20/584750320.db2.gz JWYWYMRQMDNJPX-VHSXEESVSA-N 1 2 209.293 1.338 20 0 BDADLO Cc1cc([C@H](C)NC[C@H]2CC[N@H+]2C)no1 ZINC000903317124 584750321 /nfs/dbraw/zinc/75/03/21/584750321.db2.gz JWYWYMRQMDNJPX-VHSXEESVSA-N 1 2 209.293 1.338 20 0 BDADLO CCn1nc(C)c([C@H](C)NCc2cn(C)c[nH+]2)n1 ZINC000903351185 584755166 /nfs/dbraw/zinc/75/51/66/584755166.db2.gz IOMCXKMMCUEATN-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)CC(C)=NO1 ZINC000903378722 584757306 /nfs/dbraw/zinc/75/73/06/584757306.db2.gz YAHAKXYJHAZZHE-CYBMUJFWSA-N 1 2 247.298 1.559 20 0 BDADLO CCS(=O)(=O)Nc1ccc2[nH+]cn(C)c2c1 ZINC000903656027 584789024 /nfs/dbraw/zinc/78/90/24/584789024.db2.gz KSDCITGUKRBJRM-UHFFFAOYSA-N 1 2 239.300 1.335 20 0 BDADLO Fc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000859152556 589009955 /nfs/dbraw/zinc/00/99/55/589009955.db2.gz LKUMIQKKTAFBDN-PHIMTYICSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000859152556 589009956 /nfs/dbraw/zinc/00/99/56/589009956.db2.gz LKUMIQKKTAFBDN-PHIMTYICSA-N 1 2 222.263 1.584 20 0 BDADLO CCCCN(O)C(=O)NCc1c[nH+]cn1C ZINC000904186826 584845103 /nfs/dbraw/zinc/84/51/03/584845103.db2.gz BZMRSFOFIPZCHW-UHFFFAOYSA-N 1 2 226.280 1.121 20 0 BDADLO CCCOC(=O)N1CCn2c[nH+]cc2C1 ZINC000859164856 589012429 /nfs/dbraw/zinc/01/24/29/589012429.db2.gz MKISEVFWROBHHL-UHFFFAOYSA-N 1 2 209.249 1.245 20 0 BDADLO CC(C)CCOC(=O)N1CCn2c[nH+]cc2C1 ZINC000859165906 589012658 /nfs/dbraw/zinc/01/26/58/589012658.db2.gz YUMLDYJHUHGZJO-UHFFFAOYSA-N 1 2 237.303 1.881 20 0 BDADLO COCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272530 584858420 /nfs/dbraw/zinc/85/84/20/584858420.db2.gz FNUJHCDKFPYGHG-UHFFFAOYSA-N 1 2 220.232 1.169 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(C2=COCC2)n1 ZINC000904260283 584859431 /nfs/dbraw/zinc/85/94/31/584859431.db2.gz NFYMIAFWJVVTRI-UHFFFAOYSA-N 1 2 244.254 1.783 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC12CCC2 ZINC000874783181 584883498 /nfs/dbraw/zinc/88/34/98/584883498.db2.gz JTSMUQAVUBDBQH-JTQLQIEISA-N 1 2 219.288 1.332 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000730379564 584910356 /nfs/dbraw/zinc/91/03/56/584910356.db2.gz SKWSTMHBBKQOHU-NKWVEPMBSA-N 1 2 237.130 1.001 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000730379564 584910357 /nfs/dbraw/zinc/91/03/57/584910357.db2.gz SKWSTMHBBKQOHU-NKWVEPMBSA-N 1 2 237.130 1.001 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C(C)(C)C ZINC000788042681 584934390 /nfs/dbraw/zinc/93/43/90/584934390.db2.gz NGWSMSHTTTVZTJ-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OCCCOC ZINC000733445616 584948853 /nfs/dbraw/zinc/94/88/53/584948853.db2.gz RAWGUZCUSIJIPR-UHFFFAOYSA-N 1 2 238.287 1.625 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000733995248 584956160 /nfs/dbraw/zinc/95/61/60/584956160.db2.gz GLFLBUNASZXXHB-GFCCVEGCSA-N 1 2 225.263 1.190 20 0 BDADLO CCc1nc(N2Cc3ccncc3C2)cc[nH+]1 ZINC000884535060 584956981 /nfs/dbraw/zinc/95/69/81/584956981.db2.gz VHJHETNANMZMJG-UHFFFAOYSA-N 1 2 226.283 1.954 20 0 BDADLO COC1C[NH+](Cc2nc3ccccc3nc2C)C1 ZINC000734149333 584957771 /nfs/dbraw/zinc/95/77/71/584957771.db2.gz HWHASHVAWDQQQZ-UHFFFAOYSA-N 1 2 243.310 1.769 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)CCC(F)(F)F ZINC000735671428 584980697 /nfs/dbraw/zinc/98/06/97/584980697.db2.gz NRDJIUUOBCBMGU-UHFFFAOYSA-N 1 2 247.282 1.305 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)CCC(F)(F)F ZINC000735671428 584980698 /nfs/dbraw/zinc/98/06/98/584980698.db2.gz NRDJIUUOBCBMGU-UHFFFAOYSA-N 1 2 247.282 1.305 20 0 BDADLO COCC(C)(C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819780384 585007488 /nfs/dbraw/zinc/00/74/88/585007488.db2.gz GGAFSJUGJQYUEN-MRVPVSSYSA-N 1 2 244.360 1.657 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CC1 ZINC000771996235 585011880 /nfs/dbraw/zinc/01/18/80/585011880.db2.gz OXRGHIDUSOVXGV-QWRGUYRKSA-N 1 2 220.272 1.472 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)c(C)n1 ZINC000890114441 585024116 /nfs/dbraw/zinc/02/41/16/585024116.db2.gz LFJGDNCMPMUOAE-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO C/C=C\C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000737845161 585038314 /nfs/dbraw/zinc/03/83/14/585038314.db2.gz WXWIZEXRTKXVRJ-HYXAFXHYSA-N 1 2 229.283 1.835 20 0 BDADLO CC(=O)OC1CC[NH+](Cc2cnns2)CC1 ZINC000859204224 589018456 /nfs/dbraw/zinc/01/84/56/589018456.db2.gz DYBFLHHEQWDJRU-UHFFFAOYSA-N 1 2 241.316 1.066 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccccc2OC)n1 ZINC000838896482 585079254 /nfs/dbraw/zinc/07/92/54/585079254.db2.gz VUDUWSFWNYJWRO-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CCn1ncc(CNc2[nH+]cccc2OC)n1 ZINC000838983567 585084336 /nfs/dbraw/zinc/08/43/36/585084336.db2.gz ATGCMOPRCDEEHV-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)n1 ZINC000839032108 585088578 /nfs/dbraw/zinc/08/85/78/585088578.db2.gz YSLGCFTZHABBLG-JQWIXIFHSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)n1 ZINC000839032108 585088579 /nfs/dbraw/zinc/08/85/79/585088579.db2.gz YSLGCFTZHABBLG-JQWIXIFHSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)n1 ZINC000839107952 585091256 /nfs/dbraw/zinc/09/12/56/585091256.db2.gz QBXJJHRIXRSMLF-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO CCn1ncc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)n1 ZINC000839107952 585091257 /nfs/dbraw/zinc/09/12/57/585091257.db2.gz QBXJJHRIXRSMLF-VIFPVBQESA-N 1 2 244.289 1.775 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(CO)C2)cc(Cl)n1 ZINC000839144953 585092153 /nfs/dbraw/zinc/09/21/53/585092153.db2.gz DHJZDNNHGKPJDD-UHFFFAOYSA-N 1 2 240.734 1.858 20 0 BDADLO CCc1nn(C)cc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839133448 585094167 /nfs/dbraw/zinc/09/41/67/585094167.db2.gz PEHGZZUTAJKYSZ-UHFFFAOYSA-N 1 2 237.347 1.185 20 0 BDADLO CCn1ncc(C[NH+]2CC(C3CCCC3)C2)n1 ZINC000839144156 585094705 /nfs/dbraw/zinc/09/47/05/585094705.db2.gz SBAGIOKJEHGRHK-UHFFFAOYSA-N 1 2 234.347 1.920 20 0 BDADLO C[N@H+](C/C=C\Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000741053788 585110081 /nfs/dbraw/zinc/11/00/81/585110081.db2.gz ANIRGCCBQBKAAQ-FIFYQCSRSA-N 1 2 237.752 1.105 20 0 BDADLO C[N@@H+](C/C=C\Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000741053788 585110082 /nfs/dbraw/zinc/11/00/82/585110082.db2.gz ANIRGCCBQBKAAQ-FIFYQCSRSA-N 1 2 237.752 1.105 20 0 BDADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C)on1 ZINC000741144982 585110279 /nfs/dbraw/zinc/11/02/79/585110279.db2.gz IEYOXCBJJJUAKQ-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO Cc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2C)on1 ZINC000741144982 585110280 /nfs/dbraw/zinc/11/02/80/585110280.db2.gz IEYOXCBJJJUAKQ-NSHDSACASA-N 1 2 238.287 1.511 20 0 BDADLO CC[N@H+](C)[C@H](C(=O)OCC(C)=O)c1ccccc1 ZINC000741150409 585110781 /nfs/dbraw/zinc/11/07/81/585110781.db2.gz FMGRVANOTBEPJK-ZDUSSCGKSA-N 1 2 249.310 1.812 20 0 BDADLO CC[N@@H+](C)[C@H](C(=O)OCC(C)=O)c1ccccc1 ZINC000741150409 585110782 /nfs/dbraw/zinc/11/07/82/585110782.db2.gz FMGRVANOTBEPJK-ZDUSSCGKSA-N 1 2 249.310 1.812 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741739829 585117452 /nfs/dbraw/zinc/11/74/52/585117452.db2.gz GYVVTEZBHJNJGI-RKDXNWHRSA-N 1 2 215.256 1.929 20 0 BDADLO NC(=[NH+]OC[C@@H]1CCOC1)c1ccccc1 ZINC000741752726 585117553 /nfs/dbraw/zinc/11/75/53/585117553.db2.gz CBMWQANZLAFXNB-SNVBAGLBSA-N 1 2 220.272 1.570 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000741781873 585118789 /nfs/dbraw/zinc/11/87/89/585118789.db2.gz NQCCDRCTUIXHIW-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000741781873 585118790 /nfs/dbraw/zinc/11/87/90/585118790.db2.gz NQCCDRCTUIXHIW-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO Cn1ccc(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC000741969461 585121254 /nfs/dbraw/zinc/12/12/54/585121254.db2.gz COXWXXLNJRJVTF-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C1=COCCO1 ZINC000741970114 585121373 /nfs/dbraw/zinc/12/13/73/585121373.db2.gz UZSPFHHEONTUTQ-UHFFFAOYSA-N 1 2 245.238 1.161 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1cnsn1 ZINC000741969373 585121393 /nfs/dbraw/zinc/12/13/93/585121393.db2.gz AOWFWMBCZCZWKC-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO Cn1c2ccccc2n(C[N@H+](C)C2CCC2)c1=O ZINC000742173788 585122465 /nfs/dbraw/zinc/12/24/65/585122465.db2.gz XGFVHPBGVSYBGB-UHFFFAOYSA-N 1 2 245.326 1.782 20 0 BDADLO Cn1c2ccccc2n(C[N@@H+](C)C2CCC2)c1=O ZINC000742173788 585122466 /nfs/dbraw/zinc/12/24/66/585122466.db2.gz XGFVHPBGVSYBGB-UHFFFAOYSA-N 1 2 245.326 1.782 20 0 BDADLO CC1(C)C(=O)N(C[NH+]2CCSCC2)C1(C)C ZINC000742254883 585124454 /nfs/dbraw/zinc/12/44/54/585124454.db2.gz HZHSOMJUWPHPFI-UHFFFAOYSA-N 1 2 242.388 1.640 20 0 BDADLO ClC1(Cl)C[C@H]1C[NH+]1CCN(C2CC2)CC1 ZINC000743279404 585134139 /nfs/dbraw/zinc/13/41/39/585134139.db2.gz ZCAAPUZXWSCGIP-VIFPVBQESA-N 1 2 249.185 1.960 20 0 BDADLO CC1(C)C[N@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743354589 585135564 /nfs/dbraw/zinc/13/55/64/585135564.db2.gz QKNLOTDAXRRAKH-UHFFFAOYSA-N 1 2 238.331 1.210 20 0 BDADLO CC1(C)C[N@@H+](CN2C(=O)CC23CCC3)CCO1 ZINC000743354589 585135565 /nfs/dbraw/zinc/13/55/65/585135565.db2.gz QKNLOTDAXRRAKH-UHFFFAOYSA-N 1 2 238.331 1.210 20 0 BDADLO CC(=O)CC[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000744416778 585149927 /nfs/dbraw/zinc/14/99/27/585149927.db2.gz GBGFUGSSQANGEX-UHFFFAOYSA-N 1 2 240.347 1.297 20 0 BDADLO CC(=O)CC[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000744416778 585149928 /nfs/dbraw/zinc/14/99/28/585149928.db2.gz GBGFUGSSQANGEX-UHFFFAOYSA-N 1 2 240.347 1.297 20 0 BDADLO CC(C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082674 585156078 /nfs/dbraw/zinc/15/60/78/585156078.db2.gz QKLWBASMTPCBMG-JTQLQIEISA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082674 585156079 /nfs/dbraw/zinc/15/60/79/585156079.db2.gz QKLWBASMTPCBMG-JTQLQIEISA-N 1 2 227.304 1.239 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccon1 ZINC000745084022 585156709 /nfs/dbraw/zinc/15/67/09/585156709.db2.gz QPVZUPBPGLWQLK-NSHDSACASA-N 1 2 238.287 1.592 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccon1 ZINC000745084022 585156710 /nfs/dbraw/zinc/15/67/10/585156710.db2.gz QPVZUPBPGLWQLK-NSHDSACASA-N 1 2 238.287 1.592 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CC1(Cl)Cl ZINC000746121187 585163360 /nfs/dbraw/zinc/16/33/60/585163360.db2.gz VEKBJIHNUUHPRX-ZETCQYMHSA-N 1 2 248.113 1.193 20 0 BDADLO CCOCC[N@H+](CC)Cn1ccsc1=O ZINC000746621893 585171122 /nfs/dbraw/zinc/17/11/22/585171122.db2.gz XHSVSJIODKJEGP-UHFFFAOYSA-N 1 2 230.333 1.226 20 0 BDADLO C[C@@H]1SCC[N@H+](Cn2ccsc2=O)[C@H]1C ZINC000746618270 585171170 /nfs/dbraw/zinc/17/11/70/585171170.db2.gz GDGNIXKJKCGYRY-IUCAKERBSA-N 1 2 244.385 1.693 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cn2ccsc2=O)[C@H]1C ZINC000746618270 585171171 /nfs/dbraw/zinc/17/11/71/585171171.db2.gz GDGNIXKJKCGYRY-IUCAKERBSA-N 1 2 244.385 1.693 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)c(C)n1 ZINC000789609405 585173047 /nfs/dbraw/zinc/17/30/47/585173047.db2.gz NIMFSGCLNIACDB-LBPRGKRZSA-N 1 2 249.314 1.876 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ccco1 ZINC000747781450 585184300 /nfs/dbraw/zinc/18/43/00/585184300.db2.gz LCYIOJRSGFERRI-UHFFFAOYSA-N 1 2 206.201 1.370 20 0 BDADLO COCCNC(=S)Nc1c[nH+]ccc1OC ZINC000748155742 585188447 /nfs/dbraw/zinc/18/84/47/585188447.db2.gz AZJCCOAKUNPGSB-UHFFFAOYSA-N 1 2 241.316 1.023 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C=C(C)C ZINC000748209518 585189366 /nfs/dbraw/zinc/18/93/66/585189366.db2.gz XOKBKSZWCKLGOD-UHFFFAOYSA-N 1 2 206.245 1.995 20 0 BDADLO O=C1c2ccc(F)cc2C(=O)N1C[NH+]1CCCC1 ZINC000749013023 585198383 /nfs/dbraw/zinc/19/83/83/585198383.db2.gz HXAPTVDUAAIDGB-UHFFFAOYSA-N 1 2 248.257 1.475 20 0 BDADLO COC[C@@](C)(CO)[NH2+]Cc1coc(C2CC2)n1 ZINC000749287531 585201080 /nfs/dbraw/zinc/20/10/80/585201080.db2.gz KAJWQHYMQXNIPF-GFCCVEGCSA-N 1 2 240.303 1.039 20 0 BDADLO CCC1(C(=O)OCC[NH+]2CCOCC2)CC1 ZINC000750489016 585215848 /nfs/dbraw/zinc/21/58/48/585215848.db2.gz FLGBVPJVNVZBLY-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1nnc2ccccn21 ZINC000750821882 585220410 /nfs/dbraw/zinc/22/04/10/585220410.db2.gz OIXQKFMLMAOWOI-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO CC(C)c1nc(N(C)C[C@H](O)C2CC2)cc[nH+]1 ZINC000751110753 585224218 /nfs/dbraw/zinc/22/42/18/585224218.db2.gz JIZWXHZQYNUAPI-NSHDSACASA-N 1 2 235.331 1.807 20 0 BDADLO C/C=C(\C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000751375360 585228233 /nfs/dbraw/zinc/22/82/33/585228233.db2.gz DTIWYBXXVVRHIE-SRXIBPRUSA-N 1 2 240.347 1.178 20 0 BDADLO CS/C=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000751560312 585232641 /nfs/dbraw/zinc/23/26/41/585232641.db2.gz QDSZSNDDUKLKBD-SWTNXBIASA-N 1 2 225.317 1.265 20 0 BDADLO CN(Cc1cc(Cl)n(C)n1)Cc1[nH]cc[nH+]1 ZINC000859216212 589020259 /nfs/dbraw/zinc/02/02/59/589020259.db2.gz ZXSRHLVGECPWQC-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO C[N@H+](CCC(=O)C(C)(C)C)Cc1cc[nH]n1 ZINC000753724451 585267069 /nfs/dbraw/zinc/26/70/69/585267069.db2.gz MCXFHZXKNZIOJM-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C[N@@H+](CCC(=O)C(C)(C)C)Cc1cc[nH]n1 ZINC000753724451 585267070 /nfs/dbraw/zinc/26/70/70/585267070.db2.gz MCXFHZXKNZIOJM-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000753723779 585267251 /nfs/dbraw/zinc/26/72/51/585267251.db2.gz PWDLDXXZQUWHOH-WMFXKJRFSA-N 1 2 231.361 1.197 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000753723779 585267252 /nfs/dbraw/zinc/26/72/52/585267252.db2.gz PWDLDXXZQUWHOH-WMFXKJRFSA-N 1 2 231.361 1.197 20 0 BDADLO CO[C@@H]1CC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000753796788 585269365 /nfs/dbraw/zinc/26/93/65/585269365.db2.gz UUFMTCBZUWGSAS-SECBINFHSA-N 1 2 229.711 1.523 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000753796788 585269366 /nfs/dbraw/zinc/26/93/66/585269366.db2.gz UUFMTCBZUWGSAS-SECBINFHSA-N 1 2 229.711 1.523 20 0 BDADLO CC(C)OCC(N)=[NH+]OCC1CCC1 ZINC000753822093 585270445 /nfs/dbraw/zinc/27/04/45/585270445.db2.gz IZTGTDJWWJEQEZ-UHFFFAOYSA-N 1 2 200.282 1.710 20 0 BDADLO CC(C)(O)CCO[NH+]=C(N)Cc1cccs1 ZINC000754294072 585282138 /nfs/dbraw/zinc/28/21/38/585282138.db2.gz YUGINHAZKSNAOA-UHFFFAOYSA-N 1 2 242.344 1.950 20 0 BDADLO O[C@@H]1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000754676412 585289259 /nfs/dbraw/zinc/28/92/59/585289259.db2.gz SRAYYGRDTJFPME-ZCFIWIBFSA-N 1 2 238.678 1.134 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCC(F)(F)F ZINC000754684078 585289450 /nfs/dbraw/zinc/28/94/50/585289450.db2.gz GXECVBGJFGSSPK-UHFFFAOYSA-N 1 2 236.193 1.806 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCC(C)(F)F ZINC000754686730 585289525 /nfs/dbraw/zinc/28/95/25/585289525.db2.gz KJULXEFHKDYBGP-UHFFFAOYSA-N 1 2 232.230 1.899 20 0 BDADLO O=Cc1cc(C(=O)NCc2c[nH+]c[nH]2)cs1 ZINC000755007803 585293337 /nfs/dbraw/zinc/29/33/37/585293337.db2.gz WWEQBRGSPXYDPL-UHFFFAOYSA-N 1 2 235.268 1.214 20 0 BDADLO O=Cc1cc(C(=O)NCc2c[nH]c[nH+]2)cs1 ZINC000755007803 585293338 /nfs/dbraw/zinc/29/33/38/585293338.db2.gz WWEQBRGSPXYDPL-UHFFFAOYSA-N 1 2 235.268 1.214 20 0 BDADLO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000755139973 585295351 /nfs/dbraw/zinc/29/53/51/585295351.db2.gz CVNCQGRAKZFLMY-IVGLGHLBSA-N 1 2 239.275 1.148 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000755169948 585295647 /nfs/dbraw/zinc/29/56/47/585295647.db2.gz PBGCZWVCQAKSHI-GMXVVIOVSA-N 1 2 243.347 1.875 20 0 BDADLO O=C(C=C1CCC1)NCCc1[nH]cc[nH+]1 ZINC000755354322 585298127 /nfs/dbraw/zinc/29/81/27/585298127.db2.gz BTPMKBUGUIPQCF-UHFFFAOYSA-N 1 2 205.261 1.179 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nccc(C)n2)C1 ZINC000756527238 585320699 /nfs/dbraw/zinc/32/06/99/585320699.db2.gz VWOJXVKOIVHHNY-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000756527238 585320700 /nfs/dbraw/zinc/32/07/00/585320700.db2.gz VWOJXVKOIVHHNY-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](O)C1CC1)C2 ZINC000839632533 585332975 /nfs/dbraw/zinc/33/29/75/585332975.db2.gz JXGYNHABLJHVKD-HNNXBMFYSA-N 1 2 245.322 1.976 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](C[C@H](O)C1CC1)C2 ZINC000839632533 585332976 /nfs/dbraw/zinc/33/29/76/585332976.db2.gz JXGYNHABLJHVKD-HNNXBMFYSA-N 1 2 245.322 1.976 20 0 BDADLO CC[N@H+](Cc1occc1C)[C@@H]1CCOC1=O ZINC000839660481 585334333 /nfs/dbraw/zinc/33/43/33/585334333.db2.gz HRSFEPDVKBSURI-SNVBAGLBSA-N 1 2 223.272 1.725 20 0 BDADLO CC[N@@H+](Cc1occc1C)[C@@H]1CCOC1=O ZINC000839660481 585334334 /nfs/dbraw/zinc/33/43/34/585334334.db2.gz HRSFEPDVKBSURI-SNVBAGLBSA-N 1 2 223.272 1.725 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]C1CC(OC)C1 ZINC000758149082 585350754 /nfs/dbraw/zinc/35/07/54/585350754.db2.gz ULWCLMPUIKNTIX-VQXHTEKXSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cnc(=S)n(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC000758322313 585353806 /nfs/dbraw/zinc/35/38/06/585353806.db2.gz HDBUDKDSAHDDBR-SNVBAGLBSA-N 1 2 239.344 1.599 20 0 BDADLO Cc1cnc(=S)n(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000758322313 585353807 /nfs/dbraw/zinc/35/38/07/585353807.db2.gz HDBUDKDSAHDDBR-SNVBAGLBSA-N 1 2 239.344 1.599 20 0 BDADLO COC1(C)C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000759050732 585363988 /nfs/dbraw/zinc/36/39/88/585363988.db2.gz XEBUDPGANJLNCW-GFCCVEGCSA-N 1 2 239.290 1.580 20 0 BDADLO COC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759480950 585373731 /nfs/dbraw/zinc/37/37/31/585373731.db2.gz FCZUCBCGHMUASR-VHSXEESVSA-N 1 2 223.276 1.532 20 0 BDADLO Nc1ccnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761053564 585404671 /nfs/dbraw/zinc/40/46/71/585404671.db2.gz ZZEANNVQPHZIRG-SSDOTTSWSA-N 1 2 246.236 1.443 20 0 BDADLO Nc1ccnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761053564 585404672 /nfs/dbraw/zinc/40/46/72/585404672.db2.gz ZZEANNVQPHZIRG-SSDOTTSWSA-N 1 2 246.236 1.443 20 0 BDADLO CCOc1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)s1 ZINC000761085130 585407365 /nfs/dbraw/zinc/40/73/65/585407365.db2.gz ALWXGRPXXBKTPB-SFYZADRCSA-N 1 2 225.317 1.531 20 0 BDADLO CCOc1nnc(C[N@H+]2CC[C@@H]3C[C@@H]32)s1 ZINC000761085130 585407366 /nfs/dbraw/zinc/40/73/66/585407366.db2.gz ALWXGRPXXBKTPB-SFYZADRCSA-N 1 2 225.317 1.531 20 0 BDADLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761088734 585407819 /nfs/dbraw/zinc/40/78/19/585407819.db2.gz QTVOPEQPGXNFRW-WCQGTBRESA-N 1 2 234.274 1.446 20 0 BDADLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761088734 585407820 /nfs/dbraw/zinc/40/78/20/585407820.db2.gz QTVOPEQPGXNFRW-WCQGTBRESA-N 1 2 234.274 1.446 20 0 BDADLO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)OCc1ccccc1 ZINC000761087539 585407841 /nfs/dbraw/zinc/40/78/41/585407841.db2.gz GPYXVOIYLDWELQ-QWHCGFSZSA-N 1 2 231.295 1.824 20 0 BDADLO O=C(C[N@H+]1CC[C@H]2C[C@H]21)OCc1ccccc1 ZINC000761087539 585407842 /nfs/dbraw/zinc/40/78/42/585407842.db2.gz GPYXVOIYLDWELQ-QWHCGFSZSA-N 1 2 231.295 1.824 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)on1 ZINC000761090369 585408039 /nfs/dbraw/zinc/40/80/39/585408039.db2.gz TYTILTNUDNWTGP-DTWKUNHWSA-N 1 2 221.260 1.016 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]32)on1 ZINC000761090369 585408040 /nfs/dbraw/zinc/40/80/40/585408040.db2.gz TYTILTNUDNWTGP-DTWKUNHWSA-N 1 2 221.260 1.016 20 0 BDADLO O=C1OCC[C@H]1CC[N@H+]1CCC[C@H]1C(F)F ZINC000761118946 585410703 /nfs/dbraw/zinc/41/07/03/585410703.db2.gz QHCYPNLIDNVNPE-BDAKNGLRSA-N 1 2 233.258 1.669 20 0 BDADLO O=C1OCC[C@H]1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000761118946 585410704 /nfs/dbraw/zinc/41/07/04/585410704.db2.gz QHCYPNLIDNVNPE-BDAKNGLRSA-N 1 2 233.258 1.669 20 0 BDADLO CCn1ccnc1SCCn1cc[nH+]c1 ZINC000762196078 585428932 /nfs/dbraw/zinc/42/89/32/585428932.db2.gz YBTUBJYKSSIHPE-UHFFFAOYSA-N 1 2 222.317 1.892 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC=CCC1 ZINC000763111091 585443202 /nfs/dbraw/zinc/44/32/02/585443202.db2.gz DNESZYOWTOCXGV-LLVKDONJSA-N 1 2 220.272 1.783 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000763272798 585445574 /nfs/dbraw/zinc/44/55/74/585445574.db2.gz VCICVMWRDYBVFW-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1(O)CCCC1 ZINC000763292690 585445880 /nfs/dbraw/zinc/44/58/80/585445880.db2.gz ACPTUUDKVODGSM-UHFFFAOYSA-N 1 2 238.287 1.122 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000763287939 585445900 /nfs/dbraw/zinc/44/59/00/585445900.db2.gz PUFWPIZNRPCBML-VHSXEESVSA-N 1 2 208.261 1.472 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccoc2)CC[S@@]1=O ZINC000763495975 585449226 /nfs/dbraw/zinc/44/92/26/585449226.db2.gz YSSCNGQWJMTBDA-BONVTDFDSA-N 1 2 227.329 1.623 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccoc2)CC[S@@]1=O ZINC000763495975 585449227 /nfs/dbraw/zinc/44/92/27/585449227.db2.gz YSSCNGQWJMTBDA-BONVTDFDSA-N 1 2 227.329 1.623 20 0 BDADLO CCC[N@H+](CC)Cn1c2cnccc2n(C)c1=O ZINC000764947258 585477831 /nfs/dbraw/zinc/47/78/31/585477831.db2.gz RKELNQCTTMEGON-UHFFFAOYSA-N 1 2 248.330 1.424 20 0 BDADLO CCC[N@@H+](CC)Cn1c2cnccc2n(C)c1=O ZINC000764947258 585477832 /nfs/dbraw/zinc/47/78/32/585477832.db2.gz RKELNQCTTMEGON-UHFFFAOYSA-N 1 2 248.330 1.424 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000767094965 585514106 /nfs/dbraw/zinc/51/41/06/585514106.db2.gz MMIHBMNPORLVKD-VIFPVBQESA-N 1 2 245.282 1.432 20 0 BDADLO FC(F)(F)CN1CC[NH+](Cc2ccoc2)CC1 ZINC000768219496 585534210 /nfs/dbraw/zinc/53/42/10/585534210.db2.gz HOQHJPRJTHRKOX-UHFFFAOYSA-N 1 2 248.248 1.960 20 0 BDADLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)sn1 ZINC000768903575 585545882 /nfs/dbraw/zinc/54/58/82/585545882.db2.gz PCDJRVMQFCLGNF-UHFFFAOYSA-N 1 2 237.288 1.496 20 0 BDADLO Cn1ccc(CO[NH+]=C(N)COC(C)(C)C)n1 ZINC000768940808 585546674 /nfs/dbraw/zinc/54/66/74/585546674.db2.gz IYAJTQYMNMDTBR-UHFFFAOYSA-N 1 2 240.307 1.234 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(=O)C(C)(C)C ZINC000769145803 585550018 /nfs/dbraw/zinc/55/00/18/585550018.db2.gz PNBMSGKYIPYFPM-VHSXEESVSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(=O)C(C)(C)C ZINC000769145803 585550019 /nfs/dbraw/zinc/55/00/19/585550019.db2.gz PNBMSGKYIPYFPM-VHSXEESVSA-N 1 2 240.347 1.153 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1scnc1C ZINC000809997390 585551006 /nfs/dbraw/zinc/55/10/06/585551006.db2.gz XFEJNHZKRAGBTD-ZETCQYMHSA-N 1 2 229.305 1.485 20 0 BDADLO C[C@H]1COCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000769266500 585551903 /nfs/dbraw/zinc/55/19/03/585551903.db2.gz KUUWRBDDBPHTLH-QWRGUYRKSA-N 1 2 238.287 1.099 20 0 BDADLO C[N@H+](CCn1cccn1)Cc1coc(C2CC2)n1 ZINC000769403980 585555594 /nfs/dbraw/zinc/55/55/94/585555594.db2.gz LPZBOJSHRDGCKB-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO C[N@@H+](CCn1cccn1)Cc1coc(C2CC2)n1 ZINC000769403980 585555595 /nfs/dbraw/zinc/55/55/95/585555595.db2.gz LPZBOJSHRDGCKB-UHFFFAOYSA-N 1 2 246.314 1.881 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000769450901 585557185 /nfs/dbraw/zinc/55/71/85/585557185.db2.gz JNUMNEYLNASVEB-SECBINFHSA-N 1 2 224.304 1.755 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000769450901 585557186 /nfs/dbraw/zinc/55/71/86/585557186.db2.gz JNUMNEYLNASVEB-SECBINFHSA-N 1 2 224.304 1.755 20 0 BDADLO O=C(Nc1cccnc1)c1cccc2[nH+]ccn21 ZINC000770395790 585573614 /nfs/dbraw/zinc/57/36/14/585573614.db2.gz LUXTUUDJEHLLRY-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO CCc1nn(C)cc1C(=O)OCc1c[nH+]cn1C ZINC000771282757 585591956 /nfs/dbraw/zinc/59/19/56/585591956.db2.gz QIXYXPPUYCXPEO-UHFFFAOYSA-N 1 2 248.286 1.073 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2C)c(C)n1 ZINC000771384641 585593315 /nfs/dbraw/zinc/59/33/15/585593315.db2.gz PICXJRDRNXWQHH-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)nn1-c1ccccc1 ZINC000771457923 585594488 /nfs/dbraw/zinc/59/44/88/585594488.db2.gz PSYCYRNIERDKIS-YPMHNXCESA-N 1 2 240.310 1.862 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)nn1-c1ccccc1 ZINC000771457923 585594489 /nfs/dbraw/zinc/59/44/89/585594489.db2.gz PSYCYRNIERDKIS-YPMHNXCESA-N 1 2 240.310 1.862 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000771802259 585600550 /nfs/dbraw/zinc/60/05/50/585600550.db2.gz NRHMYLHKGNVLSN-ZYHUDNBSSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1ccc(COC(=O)c2cnccn2)c(C)[nH+]1 ZINC000771883169 585603192 /nfs/dbraw/zinc/60/31/92/585603192.db2.gz XSOKKMRWZVPBAZ-UHFFFAOYSA-N 1 2 243.266 1.845 20 0 BDADLO Cc1cc(C(=O)OCCn2cc[nH+]c2)c(C)[nH]1 ZINC000771916961 585604329 /nfs/dbraw/zinc/60/43/29/585604329.db2.gz PKHUOFVSINMHQA-UHFFFAOYSA-N 1 2 233.271 1.685 20 0 BDADLO Cc1c[nH]cc1C(=O)OCCn1cc[nH+]c1 ZINC000771930337 585604781 /nfs/dbraw/zinc/60/47/81/585604781.db2.gz JGIAAWPEONUBMV-UHFFFAOYSA-N 1 2 219.244 1.377 20 0 BDADLO C[C@H](CC(=O)OCCn1cc[nH+]c1)n1cccc1 ZINC000771949917 585605630 /nfs/dbraw/zinc/60/56/30/585605630.db2.gz MSOLIRPZBVTHHZ-GFCCVEGCSA-N 1 2 247.298 1.879 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1CCC(=O)CC1 ZINC000771994011 585606140 /nfs/dbraw/zinc/60/61/40/585606140.db2.gz IFKMIGROMLTCRV-UHFFFAOYSA-N 1 2 236.271 1.186 20 0 BDADLO CC1(C)C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772012922 585607025 /nfs/dbraw/zinc/60/70/25/585607025.db2.gz KIYKNSGOYJTASJ-VIFPVBQESA-N 1 2 208.261 1.472 20 0 BDADLO CC[C@@H](C)OCC(=O)OCCn1cc[nH+]c1 ZINC000772025336 585607158 /nfs/dbraw/zinc/60/71/58/585607158.db2.gz WIHNJRMRDWTWAW-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO CC(C)(F)C(=O)OCCn1cc[nH+]c1 ZINC000772054058 585607889 /nfs/dbraw/zinc/60/78/89/585607889.db2.gz JSMKBUTZMUSSJK-UHFFFAOYSA-N 1 2 200.213 1.174 20 0 BDADLO CC[NH2+]Cc1noc([C@H](C)CSC)n1 ZINC000300774000 585615631 /nfs/dbraw/zinc/61/56/31/585615631.db2.gz KAVNOFQILRHFQZ-SSDOTTSWSA-N 1 2 215.322 1.646 20 0 BDADLO CCSCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805469025 585621002 /nfs/dbraw/zinc/62/10/02/585621002.db2.gz KHMLKCQRVVJKBN-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CCSCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805469025 585621003 /nfs/dbraw/zinc/62/10/03/585621003.db2.gz KHMLKCQRVVJKBN-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(F)CCCC1 ZINC000772895746 585626635 /nfs/dbraw/zinc/62/66/35/585626635.db2.gz IEPFBODIAKTPEC-UHFFFAOYSA-N 1 2 225.267 1.650 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCC(C)C)C1 ZINC000805474575 585627192 /nfs/dbraw/zinc/62/71/92/585627192.db2.gz QSNRLECMUGQVFR-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCCCC(C)C)C1 ZINC000805474575 585627193 /nfs/dbraw/zinc/62/71/93/585627193.db2.gz QSNRLECMUGQVFR-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OC2CCCC2)C1 ZINC000805475100 585627637 /nfs/dbraw/zinc/62/76/37/585627637.db2.gz WXLAJIOIAVYWIG-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OC2CCCC2)C1 ZINC000805475100 585627638 /nfs/dbraw/zinc/62/76/38/585627638.db2.gz WXLAJIOIAVYWIG-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO Cn1c[nH+]cc1COC(=O)COC1(C)CCC1 ZINC000772988469 585629093 /nfs/dbraw/zinc/62/90/93/585629093.db2.gz LNKFIERHCAVVIE-UHFFFAOYSA-N 1 2 238.287 1.423 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000773063527 585630383 /nfs/dbraw/zinc/63/03/83/585630383.db2.gz CDIFNHOSCXGNMS-AAEUAGOBSA-N 1 2 246.358 1.613 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000773063527 585630384 /nfs/dbraw/zinc/63/03/84/585630384.db2.gz CDIFNHOSCXGNMS-AAEUAGOBSA-N 1 2 246.358 1.613 20 0 BDADLO C[N@H+](Cn1c2cc(F)ccc2oc1=O)C1CC1 ZINC000773295174 585634940 /nfs/dbraw/zinc/63/49/40/585634940.db2.gz WVFWBZQONFBCKD-UHFFFAOYSA-N 1 2 236.246 1.785 20 0 BDADLO C[N@@H+](Cn1c2cc(F)ccc2oc1=O)C1CC1 ZINC000773295174 585634941 /nfs/dbraw/zinc/63/49/41/585634941.db2.gz WVFWBZQONFBCKD-UHFFFAOYSA-N 1 2 236.246 1.785 20 0 BDADLO CCC/C(C)=C/C(=O)NCCc1c[nH+]cn1C ZINC000773830951 585644561 /nfs/dbraw/zinc/64/45/61/585644561.db2.gz SPFXCLFTLMZKCB-DHZHZOJOSA-N 1 2 235.331 1.825 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000774727202 585664280 /nfs/dbraw/zinc/66/42/80/585664280.db2.gz CHGYHUCWQLWTIL-JTQLQIEISA-N 1 2 237.303 1.094 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000774727202 585664281 /nfs/dbraw/zinc/66/42/81/585664281.db2.gz CHGYHUCWQLWTIL-JTQLQIEISA-N 1 2 237.303 1.094 20 0 BDADLO OC[C@@H]([NH2+]Cc1noc(C2CCC2)n1)C1CC1 ZINC000859250892 589024252 /nfs/dbraw/zinc/02/42/52/589024252.db2.gz QJLQIHCELHEEGS-SNVBAGLBSA-N 1 2 237.303 1.198 20 0 BDADLO COC/C=C\C(=O)OCc1c[nH+]ccc1OC ZINC000805543060 585675924 /nfs/dbraw/zinc/67/59/24/585675924.db2.gz DJZSBRPUSNJQIP-ARJAWSKDSA-N 1 2 237.255 1.336 20 0 BDADLO COC/C=C/C(=O)OCc1c[nH+]ccc1OC ZINC000805543061 585675964 /nfs/dbraw/zinc/67/59/64/585675964.db2.gz DJZSBRPUSNJQIP-ONEGZZNKSA-N 1 2 237.255 1.336 20 0 BDADLO C[N@H+](Cc1cn(Cc2ccccc2)nn1)C1CC1 ZINC000775570917 585680500 /nfs/dbraw/zinc/68/05/00/585680500.db2.gz USOSDSRDKQUQHO-UHFFFAOYSA-N 1 2 242.326 1.921 20 0 BDADLO C[N@@H+](Cc1cn(Cc2ccccc2)nn1)C1CC1 ZINC000775570917 585680501 /nfs/dbraw/zinc/68/05/01/585680501.db2.gz USOSDSRDKQUQHO-UHFFFAOYSA-N 1 2 242.326 1.921 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccoc2)[C@@H](C)CN1C ZINC000775981033 585688237 /nfs/dbraw/zinc/68/82/37/585688237.db2.gz MBOWMCYWSVIZHL-QWRGUYRKSA-N 1 2 208.305 1.804 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccoc2)[C@@H](C)CN1C ZINC000775981033 585688238 /nfs/dbraw/zinc/68/82/38/585688238.db2.gz MBOWMCYWSVIZHL-QWRGUYRKSA-N 1 2 208.305 1.804 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NCc1ccon1)C1CC1 ZINC000776482468 585699031 /nfs/dbraw/zinc/69/90/31/585699031.db2.gz QLVRSYTULKLZKZ-NSHDSACASA-N 1 2 232.287 1.649 20 0 BDADLO Cn1cc[nH+]c1[C@H](NCc1ccon1)C1CC1 ZINC000776482466 585699292 /nfs/dbraw/zinc/69/92/92/585699292.db2.gz QLVRSYTULKLZKZ-LLVKDONJSA-N 1 2 232.287 1.649 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C/Cl ZINC000776854681 585706270 /nfs/dbraw/zinc/70/62/70/585706270.db2.gz WOKVMHMJOUYFRT-XCODYQFDSA-N 1 2 232.755 1.974 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C/Cl ZINC000776854681 585706271 /nfs/dbraw/zinc/70/62/71/585706271.db2.gz WOKVMHMJOUYFRT-XCODYQFDSA-N 1 2 232.755 1.974 20 0 BDADLO Cc1ccc(COC(=O)[C@](C)(O)C2CC2)c(C)[nH+]1 ZINC000805581398 585709758 /nfs/dbraw/zinc/70/97/58/585709758.db2.gz ZUVHCMXKANMJRZ-CQSZACIVSA-N 1 2 249.310 1.903 20 0 BDADLO Cc1ncsc1C=CC(=O)NCc1c[nH+]c[nH]1 ZINC000777254650 585709895 /nfs/dbraw/zinc/70/98/95/585709895.db2.gz DCSLYQYUXADZKU-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO Cc1ncsc1C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000777254650 585709896 /nfs/dbraw/zinc/70/98/96/585709896.db2.gz DCSLYQYUXADZKU-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(c1ncccn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777456923 585712808 /nfs/dbraw/zinc/71/28/08/585712808.db2.gz ZPTNHUUOHLHKCF-VIFPVBQESA-N 1 2 243.270 1.177 20 0 BDADLO C[C@H]1CC[N@H+](CC2OCCO2)C[C@H]1F ZINC000778232710 585729115 /nfs/dbraw/zinc/72/91/15/585729115.db2.gz GRUKGBTZRKZAQD-DTWKUNHWSA-N 1 2 203.257 1.039 20 0 BDADLO C[C@H]1CC[N@@H+](CC2OCCO2)C[C@H]1F ZINC000778232710 585729116 /nfs/dbraw/zinc/72/91/16/585729116.db2.gz GRUKGBTZRKZAQD-DTWKUNHWSA-N 1 2 203.257 1.039 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000778953027 585742828 /nfs/dbraw/zinc/74/28/28/585742828.db2.gz JBBJTJBFYIPIQF-MNOVXSKESA-N 1 2 220.320 1.528 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000778953027 585742829 /nfs/dbraw/zinc/74/28/29/585742829.db2.gz JBBJTJBFYIPIQF-MNOVXSKESA-N 1 2 220.320 1.528 20 0 BDADLO C/C=C(\C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779095191 585744859 /nfs/dbraw/zinc/74/48/59/585744859.db2.gz HKSICGWFRZOGPH-RZCNENHTSA-N 1 2 219.288 1.280 20 0 BDADLO CCC/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779215848 585747513 /nfs/dbraw/zinc/74/75/13/585747513.db2.gz QKEIAFHLURSPDW-WYGGZMRJSA-N 1 2 233.315 1.670 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOC1CCCCC1 ZINC000779322231 585751109 /nfs/dbraw/zinc/75/11/09/585751109.db2.gz MEPXKOURJMSPEO-UHFFFAOYSA-N 1 2 237.303 1.654 20 0 BDADLO C[C@H](CCO)[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000779421691 585754674 /nfs/dbraw/zinc/75/46/74/585754674.db2.gz JWNUBZJTZLCOMA-SNVBAGLBSA-N 1 2 236.315 1.698 20 0 BDADLO [O-][n+]1ccccc1SCCCn1cc[nH+]c1 ZINC000779460542 585755456 /nfs/dbraw/zinc/75/54/56/585755456.db2.gz CGNPHPHGXYTOOK-UHFFFAOYSA-N 1 2 235.312 1.699 20 0 BDADLO CC[C@@H](CO)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000779826585 585767599 /nfs/dbraw/zinc/76/75/99/585767599.db2.gz FSFYGSJLKPNZEN-UWVGGRQHSA-N 1 2 237.303 1.092 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)OCC[NH+]1CCOCC1 ZINC000780245823 585774827 /nfs/dbraw/zinc/77/48/27/585774827.db2.gz PYGRGUOJSHKREK-NWDGAFQWSA-N 1 2 243.347 1.544 20 0 BDADLO Cc1cnc(C(=O)Nc2cc[nH+]cc2O)c(C)c1 ZINC000780497804 585779456 /nfs/dbraw/zinc/77/94/56/585779456.db2.gz YRXLSPDYCGFRBW-UHFFFAOYSA-N 1 2 243.266 1.473 20 0 BDADLO Cc1nscc1C(=O)OCCn1cc[nH+]c1 ZINC000781266221 585794056 /nfs/dbraw/zinc/79/40/56/585794056.db2.gz JAYIKZUDGRZMHH-UHFFFAOYSA-N 1 2 237.284 1.505 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781354173 585794946 /nfs/dbraw/zinc/79/49/46/585794946.db2.gz OTQQKQQXVSHVTQ-JGVFFNPUSA-N 1 2 235.230 1.006 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781354173 585794947 /nfs/dbraw/zinc/79/49/47/585794947.db2.gz OTQQKQQXVSHVTQ-JGVFFNPUSA-N 1 2 235.230 1.006 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@@H+]1CCF ZINC000781347949 585794993 /nfs/dbraw/zinc/79/49/93/585794993.db2.gz WIPHSZSPDZUDBJ-VIFPVBQESA-N 1 2 203.257 1.374 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@H+]1CCF ZINC000781347949 585794994 /nfs/dbraw/zinc/79/49/94/585794994.db2.gz WIPHSZSPDZUDBJ-VIFPVBQESA-N 1 2 203.257 1.374 20 0 BDADLO CC(C)=C(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000782279689 585813610 /nfs/dbraw/zinc/81/36/10/585813610.db2.gz BGOBPZAOKPXHCP-NSHDSACASA-N 1 2 241.331 1.607 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)c1ccccc1C ZINC000782306116 585814562 /nfs/dbraw/zinc/81/45/62/585814562.db2.gz UVIKGFCDZOKJQK-JTQLQIEISA-N 1 2 222.288 1.876 20 0 BDADLO CCOCCO[NH+]=C(N)c1ccccc1C ZINC000782306083 585814603 /nfs/dbraw/zinc/81/46/03/585814603.db2.gz TYCBLAJHTJCPLH-UHFFFAOYSA-N 1 2 222.288 1.878 20 0 BDADLO CCc1n[nH]cc1C(=O)OCCCn1cc[nH+]c1 ZINC000782797977 585824711 /nfs/dbraw/zinc/82/47/11/585824711.db2.gz MSCDZSMIVMPZEL-UHFFFAOYSA-N 1 2 248.286 1.416 20 0 BDADLO Cc1nonc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000783006952 585826947 /nfs/dbraw/zinc/82/69/47/585826947.db2.gz VCIHWUVEBVUVSZ-SSDOTTSWSA-N 1 2 236.250 1.763 20 0 BDADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)nn1C ZINC000783097801 585827930 /nfs/dbraw/zinc/82/79/30/585827930.db2.gz MLWCJNQRGQLHNN-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)[C@H](C)[C@H](C)O1 ZINC000783540899 585836467 /nfs/dbraw/zinc/83/64/67/585836467.db2.gz PYAKRUVBAJUKNA-MXWKQRLJSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)[C@H](C)[C@H](C)O1 ZINC000783540899 585836468 /nfs/dbraw/zinc/83/64/68/585836468.db2.gz PYAKRUVBAJUKNA-MXWKQRLJSA-N 1 2 226.320 1.064 20 0 BDADLO CSC[C@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000783583482 585837601 /nfs/dbraw/zinc/83/76/01/585837601.db2.gz OLAXWBHHPFGGAP-JTQLQIEISA-N 1 2 242.344 1.816 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C2(O)CCCC2)n1 ZINC000783627771 585838945 /nfs/dbraw/zinc/83/89/45/585838945.db2.gz IJPUGKXKIFTLEP-UHFFFAOYSA-N 1 2 248.286 1.156 20 0 BDADLO C[C@H](C[C@H](C)O)NC(=O)c1cccc2[nH+]ccn21 ZINC000783629453 585838976 /nfs/dbraw/zinc/83/89/76/585838976.db2.gz NVEBBNKVAHILTO-ZJUUUORDSA-N 1 2 247.298 1.224 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc(O)c1 ZINC000783735194 585841381 /nfs/dbraw/zinc/84/13/81/585841381.db2.gz ZPNPUAXFRRIMDI-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cccc(O)c1 ZINC000783735194 585841382 /nfs/dbraw/zinc/84/13/82/585841382.db2.gz ZPNPUAXFRRIMDI-SNVBAGLBSA-N 1 2 234.299 1.055 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H](F)C(C)C ZINC000784109906 585849486 /nfs/dbraw/zinc/84/94/86/585849486.db2.gz BVMVAWDSSOAOOC-LLVKDONJSA-N 1 2 224.279 1.999 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC)C2)s1 ZINC000784161829 585852203 /nfs/dbraw/zinc/85/22/03/585852203.db2.gz OBMCJPSDCICAQY-MRVPVSSYSA-N 1 2 227.333 1.321 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](OC)C2)s1 ZINC000784161829 585852204 /nfs/dbraw/zinc/85/22/04/585852204.db2.gz OBMCJPSDCICAQY-MRVPVSSYSA-N 1 2 227.333 1.321 20 0 BDADLO CC(C)[C@@H](F)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000784414622 585859156 /nfs/dbraw/zinc/85/91/56/585859156.db2.gz RKCFYCOMFLFGFM-WDEREUQCSA-N 1 2 241.310 1.630 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCC1CC1 ZINC000784918206 585868495 /nfs/dbraw/zinc/86/84/95/585868495.db2.gz JMWGZZIUSKMPAE-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CC[C@@H](NC(=O)/C=C/SC)c1[nH]cc[nH+]1 ZINC000785420757 585873405 /nfs/dbraw/zinc/87/34/05/585873405.db2.gz BYROMEYQHLFBNJ-RXLGXGPVSA-N 1 2 225.317 1.854 20 0 BDADLO CC[C@@H](NC(=O)C=CSC)c1[nH]cc[nH+]1 ZINC000785420757 585873406 /nfs/dbraw/zinc/87/34/06/585873406.db2.gz BYROMEYQHLFBNJ-RXLGXGPVSA-N 1 2 225.317 1.854 20 0 BDADLO C/C=C(/C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785421638 585873491 /nfs/dbraw/zinc/87/34/91/585873491.db2.gz PSIXTYGXLMOOET-USYJTPIQSA-N 1 2 207.277 1.943 20 0 BDADLO CC=C(C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785421638 585873492 /nfs/dbraw/zinc/87/34/92/585873492.db2.gz PSIXTYGXLMOOET-USYJTPIQSA-N 1 2 207.277 1.943 20 0 BDADLO C[C@H](CO)[N@@H+](C/C(Cl)=C/Cl)C[C@H](C)O ZINC000785534402 585875091 /nfs/dbraw/zinc/87/50/91/585875091.db2.gz KRWZTGDSOTXTJR-KLJCCTAESA-N 1 2 242.146 1.369 20 0 BDADLO C[C@H](CO)[N@H+](C/C(Cl)=C/Cl)C[C@H](C)O ZINC000785534402 585875092 /nfs/dbraw/zinc/87/50/92/585875092.db2.gz KRWZTGDSOTXTJR-KLJCCTAESA-N 1 2 242.146 1.369 20 0 BDADLO NC(=[NH+]OCCC1(O)CC1)c1cccc(F)c1 ZINC000785518820 585875139 /nfs/dbraw/zinc/87/51/39/585875139.db2.gz VOJISTRAWRAOMU-UHFFFAOYSA-N 1 2 238.262 1.587 20 0 BDADLO CCCC(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785729409 585879039 /nfs/dbraw/zinc/87/90/39/585879039.db2.gz JGAXWVYLKXFPHW-PHIMTYICSA-N 1 2 241.331 1.772 20 0 BDADLO CCCC(=O)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785729409 585879040 /nfs/dbraw/zinc/87/90/40/585879040.db2.gz JGAXWVYLKXFPHW-PHIMTYICSA-N 1 2 241.331 1.772 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785745204 585879519 /nfs/dbraw/zinc/87/95/19/585879519.db2.gz ZIOKQMBFKOUNIM-AXFHLTTASA-N 1 2 241.331 1.770 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785745204 585879520 /nfs/dbraw/zinc/87/95/20/585879520.db2.gz ZIOKQMBFKOUNIM-AXFHLTTASA-N 1 2 241.331 1.770 20 0 BDADLO CCc1cc(N2CC[C@H](C(=O)OC)[C@H]2C)nc[nH+]1 ZINC000786815315 585897497 /nfs/dbraw/zinc/89/74/97/585897497.db2.gz RILQGSWSMODLRV-KOLCDFICSA-N 1 2 249.314 1.427 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C1CC(OCC)C1 ZINC000805820665 585897982 /nfs/dbraw/zinc/89/79/82/585897982.db2.gz TVTZJLKFJZDNFI-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C1CC(OCC)C1 ZINC000805820665 585897983 /nfs/dbraw/zinc/89/79/83/585897983.db2.gz TVTZJLKFJZDNFI-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCOCC1 ZINC000787123248 585901751 /nfs/dbraw/zinc/90/17/51/585901751.db2.gz IFZKKFQMZCHNNQ-LLVKDONJSA-N 1 2 238.287 1.243 20 0 BDADLO Cc1ccc(NC(=O)C(F)F)c(N(C)C)[nH+]1 ZINC000787469268 585909841 /nfs/dbraw/zinc/90/98/41/585909841.db2.gz USRADQRSXJLDAD-UHFFFAOYSA-N 1 2 229.230 1.660 20 0 BDADLO CCc1cc(NCc2nc(N(C)C)no2)nc[nH+]1 ZINC000788544506 585926451 /nfs/dbraw/zinc/92/64/51/585926451.db2.gz KSHFZIIIBVMMIJ-UHFFFAOYSA-N 1 2 248.290 1.100 20 0 BDADLO Cn1c[nH+]cc1CNc1cnc(C2CC2)nc1 ZINC000788866353 585931533 /nfs/dbraw/zinc/93/15/33/585931533.db2.gz XQCRYBDIHFLIKE-UHFFFAOYSA-N 1 2 229.287 1.700 20 0 BDADLO CC1(NC(=S)NCCCn2cc[nH+]c2)CC1 ZINC000789162137 585935957 /nfs/dbraw/zinc/93/59/57/585935957.db2.gz OOWGZLWTENAHNU-UHFFFAOYSA-N 1 2 238.360 1.290 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)OCC1(F)CC1 ZINC000789591392 585944955 /nfs/dbraw/zinc/94/49/55/585944955.db2.gz QLHGUBDQDDFZHB-UHFFFAOYSA-N 1 2 248.257 1.922 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1F ZINC000789770619 585949346 /nfs/dbraw/zinc/94/93/46/585949346.db2.gz BBJQVXKURAZECB-UHFFFAOYSA-N 1 2 248.257 1.959 20 0 BDADLO Cc1occc1C(=O)OCCc1c[nH+]cn1C ZINC000789776700 585949662 /nfs/dbraw/zinc/94/96/62/585949662.db2.gz LGEXEGWWLIGZRI-UHFFFAOYSA-N 1 2 234.255 1.721 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C=C1CCC1 ZINC000789773582 585949822 /nfs/dbraw/zinc/94/98/22/585949822.db2.gz WWTXIJPMSTZRRT-UHFFFAOYSA-N 1 2 220.272 1.616 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1nc(Cl)cs1 ZINC000789948063 585954471 /nfs/dbraw/zinc/95/44/71/585954471.db2.gz IQMWCRIZUJMKQE-UHFFFAOYSA-N 1 2 242.691 1.450 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NOCc1ccccc1 ZINC000791205428 585975232 /nfs/dbraw/zinc/97/52/32/585975232.db2.gz NPOAWWFXSZYISJ-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)c(C)[nH]1 ZINC000791704672 585986410 /nfs/dbraw/zinc/98/64/10/585986410.db2.gz FTVLZFGNFUBJQI-UHFFFAOYSA-N 1 2 245.282 1.966 20 0 BDADLO Nc1cc(COC(=O)c2ccnc(F)c2)cc[nH+]1 ZINC000791796369 585988111 /nfs/dbraw/zinc/98/81/11/585988111.db2.gz SWPSFTSYONEHME-UHFFFAOYSA-N 1 2 247.229 1.555 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2C[C@@H]2C2CC2)cc[nH+]1 ZINC000791996003 585993021 /nfs/dbraw/zinc/99/30/21/585993021.db2.gz VYFSLHJZNGUZDK-GHMZBOCLSA-N 1 2 232.283 1.753 20 0 BDADLO Nc1cc(COC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000792108293 585995867 /nfs/dbraw/zinc/99/58/67/585995867.db2.gz BNIQAHQXQHVRPM-IAZYJMLFSA-N 1 2 232.283 1.753 20 0 BDADLO CC[C@@](C)(OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792283156 585998878 /nfs/dbraw/zinc/99/88/78/585998878.db2.gz UFLTYKSPRLAMJM-GFCCVEGCSA-N 1 2 238.287 1.522 20 0 BDADLO Cc1cc[nH]c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792291790 585999308 /nfs/dbraw/zinc/99/93/08/585999308.db2.gz XGVCNMVLSWZHQL-UHFFFAOYSA-N 1 2 231.255 1.657 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1CCc1cccs1 ZINC000792375163 586000258 /nfs/dbraw/zinc/00/02/58/586000258.db2.gz DYHOYABFIVBMCU-SNVBAGLBSA-N 1 2 248.355 1.959 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1CCc1cccs1 ZINC000792375163 586000259 /nfs/dbraw/zinc/00/02/59/586000259.db2.gz DYHOYABFIVBMCU-SNVBAGLBSA-N 1 2 248.355 1.959 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1CCc1cccs1 ZINC000792375153 586000406 /nfs/dbraw/zinc/00/04/06/586000406.db2.gz DYHOYABFIVBMCU-JTQLQIEISA-N 1 2 248.355 1.959 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1CCc1cccs1 ZINC000792375153 586000407 /nfs/dbraw/zinc/00/04/07/586000407.db2.gz DYHOYABFIVBMCU-JTQLQIEISA-N 1 2 248.355 1.959 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CN1CCOC1=S ZINC000792725735 586004517 /nfs/dbraw/zinc/00/45/17/586004517.db2.gz LSXFBONJBZJGLH-VIFPVBQESA-N 1 2 244.360 1.060 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CN1CCOC1=S ZINC000792725735 586004518 /nfs/dbraw/zinc/00/45/18/586004518.db2.gz LSXFBONJBZJGLH-VIFPVBQESA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)NC1=[NH+]CCS1 ZINC000792854110 586005850 /nfs/dbraw/zinc/00/58/50/586005850.db2.gz JWMXXQOPGMQAAV-JGVFFNPUSA-N 1 2 230.333 1.267 20 0 BDADLO CONC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000792959946 586007675 /nfs/dbraw/zinc/00/76/75/586007675.db2.gz KCISTPDQMUAOSM-UHFFFAOYSA-N 1 2 219.244 1.173 20 0 BDADLO Cn1ccnc1C[NH+]1CCC(F)(F)CC1 ZINC000793361599 586017637 /nfs/dbraw/zinc/01/76/37/586017637.db2.gz KRASNIXSYDWDTP-UHFFFAOYSA-N 1 2 215.247 1.651 20 0 BDADLO Cn1cc[nH+]c1CN1CCC(F)(F)CC1 ZINC000793361599 586017638 /nfs/dbraw/zinc/01/76/38/586017638.db2.gz KRASNIXSYDWDTP-UHFFFAOYSA-N 1 2 215.247 1.651 20 0 BDADLO CC(C)([NH2+]Cc1cocn1)C(=O)N1CCCC1 ZINC000793396937 586017973 /nfs/dbraw/zinc/01/79/73/586017973.db2.gz SMKVHDXTYNBULG-UHFFFAOYSA-N 1 2 237.303 1.165 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CCCOC1 ZINC000793464749 586020715 /nfs/dbraw/zinc/02/07/15/586020715.db2.gz SCFDZLJQNIYBAN-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO O=c1sccn1C[NH+]1CCC(C2CC2)CC1 ZINC000793630115 586024545 /nfs/dbraw/zinc/02/45/45/586024545.db2.gz FMBKLZDAEMXRFI-UHFFFAOYSA-N 1 2 238.356 1.989 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cn1ncn(C)c1=S ZINC000793809145 586026740 /nfs/dbraw/zinc/02/67/40/586026740.db2.gz ILZRWKPUXPQPNL-QMMMGPOBSA-N 1 2 212.322 1.393 20 0 BDADLO CC[C@H]1CC[N@H+]1Cn1ncn(C)c1=S ZINC000793809145 586026741 /nfs/dbraw/zinc/02/67/41/586026741.db2.gz ILZRWKPUXPQPNL-QMMMGPOBSA-N 1 2 212.322 1.393 20 0 BDADLO CON(C(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC000793819437 586026990 /nfs/dbraw/zinc/02/69/90/586026990.db2.gz IWVUTALTDBSENR-UHFFFAOYSA-N 1 2 237.303 1.675 20 0 BDADLO CON(C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC000793819437 586026991 /nfs/dbraw/zinc/02/69/91/586026991.db2.gz IWVUTALTDBSENR-UHFFFAOYSA-N 1 2 237.303 1.675 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]2C[C@H]21 ZINC000794795163 586049154 /nfs/dbraw/zinc/04/91/54/586049154.db2.gz MPNRGIMYTGMBTD-GRYCIOLGSA-N 1 2 248.330 1.466 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cn1cc(C)cnc1=S ZINC000795749319 586091793 /nfs/dbraw/zinc/09/17/93/586091793.db2.gz OXIWPSJMZUDALW-SNVBAGLBSA-N 1 2 241.360 1.845 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cn1cc(C)cnc1=S ZINC000795749319 586091794 /nfs/dbraw/zinc/09/17/94/586091794.db2.gz OXIWPSJMZUDALW-SNVBAGLBSA-N 1 2 241.360 1.845 20 0 BDADLO CCC(=O)CC[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000796378068 586101986 /nfs/dbraw/zinc/10/19/86/586101986.db2.gz SDDXGMKJHCPFIH-IETSOEAISA-N 1 2 245.388 1.587 20 0 BDADLO CCC(=O)CC[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000796378068 586101987 /nfs/dbraw/zinc/10/19/87/586101987.db2.gz SDDXGMKJHCPFIH-IETSOEAISA-N 1 2 245.388 1.587 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCCCCO ZINC000796510646 586105352 /nfs/dbraw/zinc/10/53/52/586105352.db2.gz KKOGVQCSHBCBHY-QWRGUYRKSA-N 1 2 247.310 1.125 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCCCCO ZINC000796510646 586105353 /nfs/dbraw/zinc/10/53/53/586105353.db2.gz KKOGVQCSHBCBHY-QWRGUYRKSA-N 1 2 247.310 1.125 20 0 BDADLO COC(C[N@@H+]1CCC[C@H]1c1nc(C)no1)OC ZINC000796690990 586110238 /nfs/dbraw/zinc/11/02/38/586110238.db2.gz CHLZSLLSEMBSMM-VIFPVBQESA-N 1 2 241.291 1.134 20 0 BDADLO COC(C[N@H+]1CCC[C@H]1c1nc(C)no1)OC ZINC000796690990 586110239 /nfs/dbraw/zinc/11/02/39/586110239.db2.gz CHLZSLLSEMBSMM-VIFPVBQESA-N 1 2 241.291 1.134 20 0 BDADLO CCC(=O)OCc1cccc2[nH+]ccn21 ZINC000796784810 586112791 /nfs/dbraw/zinc/11/27/91/586112791.db2.gz NPXHDYZXWZSSAZ-UHFFFAOYSA-N 1 2 204.229 1.788 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cncs1 ZINC000797186214 586122439 /nfs/dbraw/zinc/12/24/39/586122439.db2.gz LBZOVYMWDUOHBB-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cncs1 ZINC000797186214 586122440 /nfs/dbraw/zinc/12/24/40/586122440.db2.gz LBZOVYMWDUOHBB-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1CC[S@@](C)=O ZINC000798194257 586139451 /nfs/dbraw/zinc/13/94/51/586139451.db2.gz YMQISYLNEHROFB-ZUZCIYMTSA-N 1 2 226.345 1.243 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1CC[S@@](C)=O ZINC000798194257 586139452 /nfs/dbraw/zinc/13/94/52/586139452.db2.gz YMQISYLNEHROFB-ZUZCIYMTSA-N 1 2 226.345 1.243 20 0 BDADLO Cc1ccc(COC(=O)c2cnnn2C)c(C)[nH+]1 ZINC000798797791 586150231 /nfs/dbraw/zinc/15/02/31/586150231.db2.gz RPAWEPYRVUGGPM-UHFFFAOYSA-N 1 2 246.270 1.184 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cnc(Cl)cn1 ZINC000799140076 586161037 /nfs/dbraw/zinc/16/10/37/586161037.db2.gz ASSWHLTYEJJLJN-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cnc(Cl)cn1 ZINC000799140076 586161039 /nfs/dbraw/zinc/16/10/39/586161039.db2.gz ASSWHLTYEJJLJN-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO C[C@@H]1CCOCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000799159103 586162663 /nfs/dbraw/zinc/16/26/63/586162663.db2.gz XHLJBDYMYSLCCI-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO C[C@@H]1CCOCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000799159103 586162664 /nfs/dbraw/zinc/16/26/64/586162664.db2.gz XHLJBDYMYSLCCI-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO CC[C@](C)([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000799314518 586170894 /nfs/dbraw/zinc/17/08/94/586170894.db2.gz KYZDIYZUJVTZIW-ZDUSSCGKSA-N 1 2 245.330 1.625 20 0 BDADLO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)OCC(C)C ZINC000799371397 586174476 /nfs/dbraw/zinc/17/44/76/586174476.db2.gz AWZOSHGMLNQBNG-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO C[N@H+](CCCO)Cc1coc(C2CC2)n1 ZINC000799740117 586195468 /nfs/dbraw/zinc/19/54/68/586195468.db2.gz ULJQTYDEMRGHBI-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO C[N@@H+](CCCO)Cc1coc(C2CC2)n1 ZINC000799740117 586195471 /nfs/dbraw/zinc/19/54/71/586195471.db2.gz ULJQTYDEMRGHBI-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)OCc2c[nH+]cn2C)O1 ZINC000800395104 586215556 /nfs/dbraw/zinc/21/55/56/586215556.db2.gz OWNNESKBUKUGPU-FXPVBKGRSA-N 1 2 238.287 1.277 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000800523074 586224220 /nfs/dbraw/zinc/22/42/20/586224220.db2.gz HHEVFHCCODWIJK-RYUDHWBXSA-N 1 2 245.363 1.977 20 0 BDADLO COC(=O)/C(=C\c1cn(C)c[nH+]1)c1ccncc1 ZINC000800794205 586229575 /nfs/dbraw/zinc/22/95/75/586229575.db2.gz YTQGXJWLDNLQIO-GHXNOFRVSA-N 1 2 243.266 1.529 20 0 BDADLO Cc1cc(N2CCO[C@@H](C(F)F)C2)nc[nH+]1 ZINC000800876898 586234665 /nfs/dbraw/zinc/23/46/65/586234665.db2.gz PZJXLUDPLOMIIB-MRVPVSSYSA-N 1 2 229.230 1.255 20 0 BDADLO FC(F)COCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801568848 586264652 /nfs/dbraw/zinc/26/46/52/586264652.db2.gz XHCHDNNBZUTILU-ZETCQYMHSA-N 1 2 245.216 1.234 20 0 BDADLO FC(F)COCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801568848 586264653 /nfs/dbraw/zinc/26/46/53/586264653.db2.gz XHCHDNNBZUTILU-ZETCQYMHSA-N 1 2 245.216 1.234 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCF)O1 ZINC000801599889 586266205 /nfs/dbraw/zinc/26/62/05/586266205.db2.gz GVFUKMZMHVTUMA-ZNSHCXBVSA-N 1 2 245.294 1.139 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCF)O1 ZINC000801599889 586266206 /nfs/dbraw/zinc/26/62/06/586266206.db2.gz GVFUKMZMHVTUMA-ZNSHCXBVSA-N 1 2 245.294 1.139 20 0 BDADLO CC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC000802233566 586297223 /nfs/dbraw/zinc/29/72/23/586297223.db2.gz ZHLMFDILUNJGDQ-SECBINFHSA-N 1 2 215.268 1.374 20 0 BDADLO CC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC000802233566 586297225 /nfs/dbraw/zinc/29/72/25/586297225.db2.gz ZHLMFDILUNJGDQ-SECBINFHSA-N 1 2 215.268 1.374 20 0 BDADLO CC[C@](C)(OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802232898 586297357 /nfs/dbraw/zinc/29/73/57/586297357.db2.gz LQIPVWDWYVPQCW-JQWIXIFHSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@](C)(OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802232898 586297359 /nfs/dbraw/zinc/29/73/59/586297359.db2.gz LQIPVWDWYVPQCW-JQWIXIFHSA-N 1 2 247.310 1.389 20 0 BDADLO Cc1ccoc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802236107 586297673 /nfs/dbraw/zinc/29/76/73/586297673.db2.gz VTKZWSJDGSSMNW-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO Cc1ccoc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802236107 586297674 /nfs/dbraw/zinc/29/76/74/586297674.db2.gz VTKZWSJDGSSMNW-JTQLQIEISA-N 1 2 241.262 1.789 20 0 BDADLO C[C@@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)C1CC1 ZINC000802232743 586297815 /nfs/dbraw/zinc/29/78/15/586297815.db2.gz UAJHJXJJBSQUHI-MWLCHTKSSA-N 1 2 229.295 1.620 20 0 BDADLO C[C@@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)C1CC1 ZINC000802232743 586297818 /nfs/dbraw/zinc/29/78/18/586297818.db2.gz UAJHJXJJBSQUHI-MWLCHTKSSA-N 1 2 229.295 1.620 20 0 BDADLO CCO[C@@H](CC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802232528 586298187 /nfs/dbraw/zinc/29/81/87/586298187.db2.gz JSUXSHNQAUXMLE-MNOVXSKESA-N 1 2 247.310 1.389 20 0 BDADLO CCO[C@@H](CC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802232528 586298189 /nfs/dbraw/zinc/29/81/89/586298189.db2.gz JSUXSHNQAUXMLE-MNOVXSKESA-N 1 2 247.310 1.389 20 0 BDADLO C[C@@H]1CN(C[NH+]2CCSCC2)C(=O)[C@H]1C ZINC000839965538 586304782 /nfs/dbraw/zinc/30/47/82/586304782.db2.gz MJOLNEKDOGUFRN-ZJUUUORDSA-N 1 2 228.361 1.107 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000802653791 586307424 /nfs/dbraw/zinc/30/74/24/586307424.db2.gz STBQIMNYLHDEKR-JTQLQIEISA-N 1 2 233.258 1.299 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000802653791 586307426 /nfs/dbraw/zinc/30/74/26/586307426.db2.gz STBQIMNYLHDEKR-JTQLQIEISA-N 1 2 233.258 1.299 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000802747221 586312358 /nfs/dbraw/zinc/31/23/58/586312358.db2.gz PLWMPFMZKVQAMX-BDAKNGLRSA-N 1 2 248.273 1.126 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000802747221 586312360 /nfs/dbraw/zinc/31/23/60/586312360.db2.gz PLWMPFMZKVQAMX-BDAKNGLRSA-N 1 2 248.273 1.126 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)C1=COCC1 ZINC000802783763 586314089 /nfs/dbraw/zinc/31/40/89/586314089.db2.gz DMFBOBTUAKPJND-UHFFFAOYSA-N 1 2 236.271 1.200 20 0 BDADLO CC1(C)CC(C(=O)OCCn2cc[nH+]c2)C1 ZINC000802814865 586316548 /nfs/dbraw/zinc/31/65/48/586316548.db2.gz FRLUKJMCKKIXOC-UHFFFAOYSA-N 1 2 222.288 1.863 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@H](C)C2=O)C[C@H](C)O1 ZINC000839993744 586335860 /nfs/dbraw/zinc/33/58/60/586335860.db2.gz REMUNWBPDKTXLO-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@H](C)C2=O)C[C@H](C)O1 ZINC000839993744 586335863 /nfs/dbraw/zinc/33/58/63/586335863.db2.gz REMUNWBPDKTXLO-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1CN1C[C@@H](C)[C@H](C)C1=O ZINC000839998739 586348741 /nfs/dbraw/zinc/34/87/41/586348741.db2.gz JECXUSSYGUGYCJ-GRYCIOLGSA-N 1 2 240.347 1.169 20 0 BDADLO CC[C@@H]1COCC[N@H+]1CN1C[C@@H](C)[C@H](C)C1=O ZINC000839998739 586348743 /nfs/dbraw/zinc/34/87/43/586348743.db2.gz JECXUSSYGUGYCJ-GRYCIOLGSA-N 1 2 240.347 1.169 20 0 BDADLO CCCC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495914 586362095 /nfs/dbraw/zinc/36/20/95/586362095.db2.gz VMOAJIYQCDPBEF-LLVKDONJSA-N 1 2 229.320 1.485 20 0 BDADLO CC1(C)CCN(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000840014044 586369374 /nfs/dbraw/zinc/36/93/74/586369374.db2.gz HMFHNTHOUBYSJT-PHIMTYICSA-N 1 2 238.331 1.066 20 0 BDADLO CC1(C)CCN(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000840014044 586369377 /nfs/dbraw/zinc/36/93/77/586369377.db2.gz HMFHNTHOUBYSJT-PHIMTYICSA-N 1 2 238.331 1.066 20 0 BDADLO Cn1cccc1C[N@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840024624 586383695 /nfs/dbraw/zinc/38/36/95/586383695.db2.gz FZQNKMFMXMUUNI-OLZOCXBDSA-N 1 2 247.342 1.425 20 0 BDADLO Cn1cccc1C[N@@H+](C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840024624 586383697 /nfs/dbraw/zinc/38/36/97/586383697.db2.gz FZQNKMFMXMUUNI-OLZOCXBDSA-N 1 2 247.342 1.425 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CCOC(C)(C)[C@@H]2C)C1=O ZINC000840029807 586385634 /nfs/dbraw/zinc/38/56/34/586385634.db2.gz VCOSCWGVRCAKCW-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CCOC(C)(C)[C@@H]2C)C1=O ZINC000840029807 586385637 /nfs/dbraw/zinc/38/56/37/586385637.db2.gz VCOSCWGVRCAKCW-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]2C[C@H]21 ZINC000804303666 586390071 /nfs/dbraw/zinc/39/00/71/586390071.db2.gz WUELGVQJULVNSL-CMPLNLGQSA-N 1 2 241.294 1.959 20 0 BDADLO C/C(=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000804334912 586390931 /nfs/dbraw/zinc/39/09/31/586390931.db2.gz MQJVIZIOOXKQEE-JXPAYYINSA-N 1 2 245.326 1.670 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335410 586391787 /nfs/dbraw/zinc/39/17/87/586391787.db2.gz YSZNGSQKIPPGTD-JMEBYUIHSA-N 1 2 247.342 1.916 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]Cc2cnn(C)n2)cn1 ZINC000806167134 586406521 /nfs/dbraw/zinc/40/65/21/586406521.db2.gz LPMVAPBQKYJWGB-JTQLQIEISA-N 1 2 248.334 1.443 20 0 BDADLO C[C@@H](Cc1ccco1)NC(=O)Cc1c[nH+]cn1C ZINC000806442155 586412614 /nfs/dbraw/zinc/41/26/14/586412614.db2.gz MGAJCBDSRFSIGF-JTQLQIEISA-N 1 2 247.298 1.303 20 0 BDADLO O=C(C1CC1)N1CC[NH+](C/C=C\Cl)CC1 ZINC000807264017 586430867 /nfs/dbraw/zinc/43/08/67/586430867.db2.gz YABRXCWYWZXYNI-RJRFIUFISA-N 1 2 228.723 1.293 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000840099518 586445818 /nfs/dbraw/zinc/44/58/18/586445818.db2.gz NHNPPLFMBROOFI-ZYHUDNBSSA-N 1 2 228.311 1.636 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000840099518 586445819 /nfs/dbraw/zinc/44/58/19/586445819.db2.gz NHNPPLFMBROOFI-ZYHUDNBSSA-N 1 2 228.311 1.636 20 0 BDADLO O=C1[C@H]2CCCCC[C@H]2N1C[N@H+]1CC[C@H](F)C1 ZINC000840114764 586448993 /nfs/dbraw/zinc/44/89/93/586448993.db2.gz RWMQCSNCTJGAIB-SDDRHHMPSA-N 1 2 240.322 1.779 20 0 BDADLO O=C1[C@H]2CCCCC[C@H]2N1C[N@@H+]1CC[C@H](F)C1 ZINC000840114764 586448995 /nfs/dbraw/zinc/44/89/95/586448995.db2.gz RWMQCSNCTJGAIB-SDDRHHMPSA-N 1 2 240.322 1.779 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000808149349 586464901 /nfs/dbraw/zinc/46/49/01/586464901.db2.gz DSAPOCBMKHSXOT-ZDUSSCGKSA-N 1 2 240.347 1.315 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000808149349 586464902 /nfs/dbraw/zinc/46/49/02/586464902.db2.gz DSAPOCBMKHSXOT-ZDUSSCGKSA-N 1 2 240.347 1.315 20 0 BDADLO Cn1c[nH+]c(CNCc2c(F)cccc2F)c1 ZINC000808395405 586471058 /nfs/dbraw/zinc/47/10/58/586471058.db2.gz LJEJMROBNBPKJB-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cn1cnc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000808395405 586471059 /nfs/dbraw/zinc/47/10/59/586471059.db2.gz LJEJMROBNBPKJB-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc3c(c2)COC3)n1 ZINC000808417307 586471596 /nfs/dbraw/zinc/47/15/96/586471596.db2.gz HTIUUHSFCDFJCE-UHFFFAOYSA-N 1 2 244.298 1.135 20 0 BDADLO COc1cc[nH+]cc1COC(=O)CCSC ZINC000809061769 586494911 /nfs/dbraw/zinc/49/49/11/586494911.db2.gz HFQXAMAVCRFVTD-UHFFFAOYSA-N 1 2 241.312 1.887 20 0 BDADLO Cc1nonc1CNCc1cn2ccccc2[nH+]1 ZINC000809744204 586516546 /nfs/dbraw/zinc/51/65/46/586516546.db2.gz AHQKBSYOYSGDLG-UHFFFAOYSA-N 1 2 243.270 1.316 20 0 BDADLO Cc1ccc(NC(=O)NCc2c[nH+]cn2C)cn1 ZINC000809883394 586522303 /nfs/dbraw/zinc/52/23/03/586522303.db2.gz IODVBXGLPFENIX-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)Cc2ccccc21 ZINC000809933824 586524438 /nfs/dbraw/zinc/52/44/38/586524438.db2.gz WKKOJHZWNFODRP-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)Cc2ccccc21 ZINC000809933824 586524439 /nfs/dbraw/zinc/52/44/39/586524439.db2.gz WKKOJHZWNFODRP-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1cnn(C)n1 ZINC000809949092 586525866 /nfs/dbraw/zinc/52/58/66/586525866.db2.gz YREJJJKMAFYEPM-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1cnn(C)n1 ZINC000809949092 586525867 /nfs/dbraw/zinc/52/58/67/586525867.db2.gz YREJJJKMAFYEPM-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000809973776 586527873 /nfs/dbraw/zinc/52/78/73/586527873.db2.gz AEONYXJEINNZGR-SECBINFHSA-N 1 2 246.261 1.019 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000809973776 586527874 /nfs/dbraw/zinc/52/78/74/586527874.db2.gz AEONYXJEINNZGR-SECBINFHSA-N 1 2 246.261 1.019 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@](C)(CO)C(C)C ZINC000810076944 586532197 /nfs/dbraw/zinc/53/21/97/586532197.db2.gz PVCBBNVEELUIPQ-DGCLKSJQSA-N 1 2 245.363 1.715 20 0 BDADLO C[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000810188756 586536850 /nfs/dbraw/zinc/53/68/50/586536850.db2.gz UOAGCALYLQGSDD-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000810188756 586536852 /nfs/dbraw/zinc/53/68/52/586536852.db2.gz UOAGCALYLQGSDD-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188756 586536853 /nfs/dbraw/zinc/53/68/53/586536853.db2.gz UOAGCALYLQGSDD-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188756 586536854 /nfs/dbraw/zinc/53/68/54/586536854.db2.gz UOAGCALYLQGSDD-BQBZGAKWSA-N 1 2 242.216 1.097 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000810754226 586546308 /nfs/dbraw/zinc/54/63/08/586546308.db2.gz UMASBXAIWHGSFX-VIFPVBQESA-N 1 2 221.304 1.473 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCc2c[nH+]cn2C)o1 ZINC000810756081 586546442 /nfs/dbraw/zinc/54/64/42/586546442.db2.gz SIADBJGCIAECST-JTQLQIEISA-N 1 2 247.298 1.741 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C=C1CCCC1 ZINC000811588348 586561902 /nfs/dbraw/zinc/56/19/02/586561902.db2.gz GPVLCDBBQPZWIP-UHFFFAOYSA-N 1 2 219.288 1.537 20 0 BDADLO CC[C@@H](C)NC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712166 586566064 /nfs/dbraw/zinc/56/60/64/586566064.db2.gz KBXOVMGKFJNPSR-SECBINFHSA-N 1 2 238.360 1.372 20 0 BDADLO CC[C@H](C)NC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712167 586566195 /nfs/dbraw/zinc/56/61/95/586566195.db2.gz KBXOVMGKFJNPSR-VIFPVBQESA-N 1 2 238.360 1.372 20 0 BDADLO COCCOC[C@@H](C)Nc1ccc(OC)c[nH+]1 ZINC000811807800 586567057 /nfs/dbraw/zinc/56/70/57/586567057.db2.gz KPENAGZMOHKRGK-SNVBAGLBSA-N 1 2 240.303 1.554 20 0 BDADLO O=C(C=C1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000811934244 586568923 /nfs/dbraw/zinc/56/89/23/586568923.db2.gz ZFRQXDRTXRLCPA-UHFFFAOYSA-N 1 2 231.299 1.726 20 0 BDADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cnn(C)n1)CO2 ZINC000815129808 586668919 /nfs/dbraw/zinc/66/89/19/586668919.db2.gz YHUKGDSQPULMTL-LBPRGKRZSA-N 1 2 244.298 1.347 20 0 BDADLO CCc1noc(C)c1C[NH2+]Cc1cn(C)cn1 ZINC000815147178 586670533 /nfs/dbraw/zinc/67/05/33/586670533.db2.gz YJUGHCINBUELJE-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO C(C1CCC1)[C@@H]1COCC[N@@H+]1CC1OCCO1 ZINC000815291923 586677342 /nfs/dbraw/zinc/67/73/42/586677342.db2.gz LHENBWFGFLNCGZ-GFCCVEGCSA-N 1 2 241.331 1.250 20 0 BDADLO C(C1CCC1)[C@@H]1COCC[N@H+]1CC1OCCO1 ZINC000815291923 586677344 /nfs/dbraw/zinc/67/73/44/586677344.db2.gz LHENBWFGFLNCGZ-GFCCVEGCSA-N 1 2 241.331 1.250 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000815967593 586700490 /nfs/dbraw/zinc/70/04/90/586700490.db2.gz GBJSYCVSKFUIBT-DDFAGTSDSA-N 1 2 234.299 1.900 20 0 BDADLO C[C@@H](NC(=O)C1=COCCC1)c1[nH]cc[nH+]1 ZINC000816719357 586759858 /nfs/dbraw/zinc/75/98/58/586759858.db2.gz XANBYVHTBOIYRA-MRVPVSSYSA-N 1 2 221.260 1.281 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000859829113 589064300 /nfs/dbraw/zinc/06/43/00/589064300.db2.gz LEYNEYXZXLTQCT-DCQANWLSSA-N 1 2 243.347 1.587 20 0 BDADLO C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816815317 586766055 /nfs/dbraw/zinc/76/60/55/586766055.db2.gz RWDRKWSTDLMKFJ-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1Cl ZINC000816819399 586766561 /nfs/dbraw/zinc/76/65/61/586766561.db2.gz CVPNLIQIFPVUSV-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO CC(C)COCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816839381 586767384 /nfs/dbraw/zinc/76/73/84/586767384.db2.gz CTNJPBGPOVKWNX-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ccccc21 ZINC000816840481 586767444 /nfs/dbraw/zinc/76/74/44/586767444.db2.gz PZLVMMGFIRMDLB-UHFFFAOYSA-N 1 2 227.267 1.542 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000816938177 586771747 /nfs/dbraw/zinc/77/17/47/586771747.db2.gz TUMAFVHXFXLSSL-QWRGUYRKSA-N 1 2 233.315 1.743 20 0 BDADLO CC(C)CC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816946438 586772563 /nfs/dbraw/zinc/77/25/63/586772563.db2.gz LVPUEQJEUNRYDB-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC1(C)CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816944954 586772654 /nfs/dbraw/zinc/77/26/54/586772654.db2.gz RQBZUTMFDLBUBX-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO CC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816939699 586772658 /nfs/dbraw/zinc/77/26/58/586772658.db2.gz LOPQMVCSVRYTIS-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO COc1ccc(NC2CCN(OC)CC2)[nH+]c1 ZINC000817131358 586783560 /nfs/dbraw/zinc/78/35/60/586783560.db2.gz XJTZDAGUGBJRGP-UHFFFAOYSA-N 1 2 237.303 1.528 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1coc(C2CC2)n1 ZINC000817414761 586802917 /nfs/dbraw/zinc/80/29/17/586802917.db2.gz NWEQTSPYRXHPNG-BXKDBHETSA-N 1 2 236.315 1.897 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1coc(C2CC2)n1 ZINC000817414761 586802920 /nfs/dbraw/zinc/80/29/20/586802920.db2.gz NWEQTSPYRXHPNG-BXKDBHETSA-N 1 2 236.315 1.897 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC1=CCCC1 ZINC000818035696 586866251 /nfs/dbraw/zinc/86/62/51/586866251.db2.gz VOSBDASFDZFXHS-UHFFFAOYSA-N 1 2 219.288 1.569 20 0 BDADLO CC(C)n1cncc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000818217002 586879405 /nfs/dbraw/zinc/87/94/05/586879405.db2.gz KRBUKFADFJMVOT-GFCCVEGCSA-N 1 2 245.330 1.895 20 0 BDADLO CC(C)n1cncc1C[NH2+][C@H]1CCn2ccnc21 ZINC000818217004 586879438 /nfs/dbraw/zinc/87/94/38/586879438.db2.gz KRBUKFADFJMVOT-LBPRGKRZSA-N 1 2 245.330 1.895 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000818344385 586887426 /nfs/dbraw/zinc/88/74/26/586887426.db2.gz MVEKXZUMQSRNEG-SECBINFHSA-N 1 2 248.334 1.191 20 0 BDADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(C)(F)F ZINC000818972498 586919153 /nfs/dbraw/zinc/91/91/53/586919153.db2.gz WYJMIFIGZQSDPK-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(C)(F)F ZINC000818972498 586919154 /nfs/dbraw/zinc/91/91/54/586919154.db2.gz WYJMIFIGZQSDPK-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C(F)=C1CCC1 ZINC000819526464 586973893 /nfs/dbraw/zinc/97/38/93/586973893.db2.gz DDPSCGMOQLDTJB-SNVBAGLBSA-N 1 2 249.289 1.722 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(F)=C1CCC1 ZINC000819534484 586974349 /nfs/dbraw/zinc/97/43/49/586974349.db2.gz HBKDTERKAQBHEW-UHFFFAOYSA-N 1 2 223.251 1.444 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)[C@H]2CC2(C)C)S1 ZINC000819777390 586993308 /nfs/dbraw/zinc/99/33/08/586993308.db2.gz RQFLTILFLMFOBR-NKWVEPMBSA-N 1 2 212.318 1.640 20 0 BDADLO O[C@@H]1CC[C@H]2CC[N@H+](CC(F)(F)C(F)F)[C@@H]12 ZINC000860128891 589080995 /nfs/dbraw/zinc/08/09/95/589080995.db2.gz SVLPDAPTLWLVIT-XLPZGREQSA-N 1 2 241.228 1.732 20 0 BDADLO O[C@@H]1CC[C@H]2CC[N@@H+](CC(F)(F)C(F)F)[C@@H]12 ZINC000860128891 589080996 /nfs/dbraw/zinc/08/09/96/589080996.db2.gz SVLPDAPTLWLVIT-XLPZGREQSA-N 1 2 241.228 1.732 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\[C@H]1CCCO1 ZINC000820160711 587030138 /nfs/dbraw/zinc/03/01/38/587030138.db2.gz AXNMGOSHBDOXKW-DOGVGXBMSA-N 1 2 236.271 1.199 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000820238491 587037581 /nfs/dbraw/zinc/03/75/81/587037581.db2.gz QMPGVAVSQPILTL-QWRGUYRKSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000820238491 587037583 /nfs/dbraw/zinc/03/75/83/587037583.db2.gz QMPGVAVSQPILTL-QWRGUYRKSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820238077 587037855 /nfs/dbraw/zinc/03/78/55/587037855.db2.gz JSRLXRNEAWYPBD-OUAUKWLOSA-N 1 2 237.303 1.239 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820238077 587037857 /nfs/dbraw/zinc/03/78/57/587037857.db2.gz JSRLXRNEAWYPBD-OUAUKWLOSA-N 1 2 237.303 1.239 20 0 BDADLO CC[C@H](C)CONC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820279875 587040163 /nfs/dbraw/zinc/04/01/63/587040163.db2.gz SZUJPDURJDXGOM-OMMCCPJFSA-N 1 2 237.303 1.527 20 0 BDADLO Cn1cccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820452516 587049954 /nfs/dbraw/zinc/04/99/54/587049954.db2.gz DTGPKDVOPZNYBU-GHMZBOCLSA-N 1 2 244.298 1.168 20 0 BDADLO Cn1cccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820452516 587049955 /nfs/dbraw/zinc/04/99/55/587049955.db2.gz DTGPKDVOPZNYBU-GHMZBOCLSA-N 1 2 244.298 1.168 20 0 BDADLO C[C@@H]1CN(C(=O)/C=C\c2cn(C)c[nH+]2)[C@H]1C ZINC000820656285 587063036 /nfs/dbraw/zinc/06/30/36/587063036.db2.gz KPLWLLVFFNSFBK-OOMSKYPHSA-N 1 2 219.288 1.300 20 0 BDADLO O=S(=O)(C1CCC1)N1CCc2c[nH+]ccc21 ZINC000820793798 587072662 /nfs/dbraw/zinc/07/26/62/587072662.db2.gz IBONTLFPXRWSGG-UHFFFAOYSA-N 1 2 238.312 1.326 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2CCC(=O)O2)[nH+]1 ZINC000821069597 587093523 /nfs/dbraw/zinc/09/35/23/587093523.db2.gz PKFACQFYFWYJNW-SSDOTTSWSA-N 1 2 239.300 1.165 20 0 BDADLO Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CC(=O)[O-] ZINC000821140799 587098357 /nfs/dbraw/zinc/09/83/57/587098357.db2.gz DYKSYDNLYOYTDR-JTQLQIEISA-N 1 2 222.288 1.385 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1coc(C=O)c1 ZINC000821238353 587103265 /nfs/dbraw/zinc/10/32/65/587103265.db2.gz IGXCQCQSEVRYDQ-UHFFFAOYSA-N 1 2 247.254 1.239 20 0 BDADLO c1cc(C[NH+]2CCOCC2)cc2nonc12 ZINC000821338212 587108660 /nfs/dbraw/zinc/10/86/60/587108660.db2.gz YOSODZZITCICJN-UHFFFAOYSA-N 1 2 219.244 1.055 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H]1CCC(=O)O1)C(=O)OC ZINC000821381373 587114691 /nfs/dbraw/zinc/11/46/91/587114691.db2.gz XDRLMKBKQRVZSB-BXKDBHETSA-N 1 2 243.303 1.013 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000821384039 587114700 /nfs/dbraw/zinc/11/47/00/587114700.db2.gz LSYVAJCSRVVRAZ-OPRDCNLKSA-N 1 2 244.298 1.719 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000821384039 587114701 /nfs/dbraw/zinc/11/47/01/587114701.db2.gz LSYVAJCSRVVRAZ-OPRDCNLKSA-N 1 2 244.298 1.719 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000821502570 587123258 /nfs/dbraw/zinc/12/32/58/587123258.db2.gz SCRIFUZSVBKMJM-BYAJROORSA-N 1 2 249.314 1.117 20 0 BDADLO CCOCC(=O)OCCc1cn2ccccc2[nH+]1 ZINC000821595806 587131596 /nfs/dbraw/zinc/13/15/96/587131596.db2.gz LJDJBZUDNIJSDI-UHFFFAOYSA-N 1 2 248.282 1.457 20 0 BDADLO CON(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC000821919741 587146675 /nfs/dbraw/zinc/14/66/75/587146675.db2.gz JAXNPWYXEKFYQD-GHMZBOCLSA-N 1 2 249.314 1.846 20 0 BDADLO CON(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC000821919741 587146677 /nfs/dbraw/zinc/14/66/77/587146677.db2.gz JAXNPWYXEKFYQD-GHMZBOCLSA-N 1 2 249.314 1.846 20 0 BDADLO CCC[C@H](O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000822012788 587149160 /nfs/dbraw/zinc/14/91/60/587149160.db2.gz REQOBNJXVQZGMA-LBPRGKRZSA-N 1 2 236.315 1.476 20 0 BDADLO CC[C@](C)(O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000822012239 587149162 /nfs/dbraw/zinc/14/91/62/587149162.db2.gz MYLQXWZRHYJSBI-ZDUSSCGKSA-N 1 2 236.315 1.476 20 0 BDADLO CCC(F)(F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000822155204 587157110 /nfs/dbraw/zinc/15/71/10/587157110.db2.gz IAWUMKPRRPSQJH-MRVPVSSYSA-N 1 2 231.246 1.433 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCC2(C)CC2)c1 ZINC000822364043 587164410 /nfs/dbraw/zinc/16/44/10/587164410.db2.gz BQWJZNZZJNPXGD-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1Cc2ccccc21 ZINC000822672148 587180398 /nfs/dbraw/zinc/18/03/98/587180398.db2.gz QMNQCUDKEACKNU-LLVKDONJSA-N 1 2 241.294 1.408 20 0 BDADLO Cc1cn2ccc(C(=O)NN3CCCC3)cc2[nH+]1 ZINC000822685214 587180914 /nfs/dbraw/zinc/18/09/14/587180914.db2.gz WQTXPUDQNBZVDK-UHFFFAOYSA-N 1 2 244.298 1.383 20 0 BDADLO FC(F)c1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000822791082 587185956 /nfs/dbraw/zinc/18/59/56/587185956.db2.gz OVLGECYFAQIMEH-RITPCOANSA-N 1 2 215.203 1.601 20 0 BDADLO FC(F)c1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000822791082 587185958 /nfs/dbraw/zinc/18/59/58/587185958.db2.gz OVLGECYFAQIMEH-RITPCOANSA-N 1 2 215.203 1.601 20 0 BDADLO COC[C@H]([NH3+])c1nc([C@H](C)C(C)(C)C)no1 ZINC000822825986 587187847 /nfs/dbraw/zinc/18/78/47/587187847.db2.gz CNIORFBQCTYDRU-YUMQZZPRSA-N 1 2 227.308 1.865 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]2C[C@@H]21 ZINC000822857597 587189926 /nfs/dbraw/zinc/18/99/26/587189926.db2.gz SDSNMXMUMIOLMS-BFLSOPEQSA-N 1 2 231.299 1.524 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]2C[C@@H]21 ZINC000822857597 587189928 /nfs/dbraw/zinc/18/99/28/587189928.db2.gz SDSNMXMUMIOLMS-BFLSOPEQSA-N 1 2 231.299 1.524 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822921436 587193186 /nfs/dbraw/zinc/19/31/86/587193186.db2.gz DKAZRBKEYXFVDF-FXPVBKGRSA-N 1 2 233.315 1.818 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822921436 587193188 /nfs/dbraw/zinc/19/31/88/587193188.db2.gz DKAZRBKEYXFVDF-FXPVBKGRSA-N 1 2 233.315 1.818 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000822926911 587194159 /nfs/dbraw/zinc/19/41/59/587194159.db2.gz UTQUXHRYWRCPOO-SNVBAGLBSA-N 1 2 235.331 1.772 20 0 BDADLO CCN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000822926911 587194160 /nfs/dbraw/zinc/19/41/60/587194160.db2.gz UTQUXHRYWRCPOO-SNVBAGLBSA-N 1 2 235.331 1.772 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000822952518 587195529 /nfs/dbraw/zinc/19/55/29/587195529.db2.gz STOAWWXIDASWPD-LMMOQWNQSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000822952518 587195530 /nfs/dbraw/zinc/19/55/30/587195530.db2.gz STOAWWXIDASWPD-LMMOQWNQSA-N 1 2 240.347 1.180 20 0 BDADLO C[C@H](Cc1ccsc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823140879 587204634 /nfs/dbraw/zinc/20/46/34/587204634.db2.gz ABGRBATVLSQYKE-SECBINFHSA-N 1 2 249.339 1.761 20 0 BDADLO CCC1(c2noc([C@@H]([NH3+])COC)n2)CCCC1 ZINC000823140959 587204947 /nfs/dbraw/zinc/20/49/47/587204947.db2.gz PFWKCDFHQHOBGR-VIFPVBQESA-N 1 2 239.319 1.938 20 0 BDADLO C[C@H]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000823347219 587217209 /nfs/dbraw/zinc/21/72/09/587217209.db2.gz HDBSLDMQHFLLFK-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO CCOCC[N@H+](CC)Cc1nn(CC)nc1C ZINC000823424701 587221403 /nfs/dbraw/zinc/22/14/03/587221403.db2.gz XYZGGXLIQHFQFW-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nn(CC)nc1C ZINC000823424701 587221404 /nfs/dbraw/zinc/22/14/04/587221404.db2.gz XYZGGXLIQHFQFW-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000823643924 587233759 /nfs/dbraw/zinc/23/37/59/587233759.db2.gz MFXFFVBUHMZACE-VXGBXAGGSA-N 1 2 241.294 1.625 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ncc1F ZINC000824272146 587264029 /nfs/dbraw/zinc/26/40/29/587264029.db2.gz SJMXRZPYTGXBEZ-CBAPKCEASA-N 1 2 228.242 1.315 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ncc1F ZINC000824272146 587264030 /nfs/dbraw/zinc/26/40/30/587264030.db2.gz SJMXRZPYTGXBEZ-CBAPKCEASA-N 1 2 228.242 1.315 20 0 BDADLO Fc1ccc(C[N@H+](C2CC2)C2COC2)cn1 ZINC000824472796 587271511 /nfs/dbraw/zinc/27/15/11/587271511.db2.gz YYVYWXNWIBFERI-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO Fc1ccc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC000824472796 587271512 /nfs/dbraw/zinc/27/15/12/587271512.db2.gz YYVYWXNWIBFERI-UHFFFAOYSA-N 1 2 222.263 1.584 20 0 BDADLO CC(C)C1(C(=O)N(C)Cc2c[nH+]c[nH]2)COC1 ZINC000824629455 587280380 /nfs/dbraw/zinc/28/03/80/587280380.db2.gz TZTBTGBIHIUKMC-UHFFFAOYSA-N 1 2 237.303 1.041 20 0 BDADLO CC(C)C1(C(=O)N(C)Cc2c[nH]c[nH+]2)COC1 ZINC000824629455 587280381 /nfs/dbraw/zinc/28/03/81/587280381.db2.gz TZTBTGBIHIUKMC-UHFFFAOYSA-N 1 2 237.303 1.041 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824741810 587285418 /nfs/dbraw/zinc/28/54/18/587285418.db2.gz FNDRSZLGNNIKPZ-NXEZZACHSA-N 1 2 235.287 1.361 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824741810 587285419 /nfs/dbraw/zinc/28/54/19/587285419.db2.gz FNDRSZLGNNIKPZ-NXEZZACHSA-N 1 2 235.287 1.361 20 0 BDADLO CC(C)C[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000824998681 587297631 /nfs/dbraw/zinc/29/76/31/587297631.db2.gz AASXYAGHNCFZNY-ZDUSSCGKSA-N 1 2 234.299 1.979 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1CCC=CO1 ZINC000825104435 587305181 /nfs/dbraw/zinc/30/51/81/587305181.db2.gz WYPYXIBCODRAEG-UWVGGRQHSA-N 1 2 235.274 1.627 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCC=CO1 ZINC000825104435 587305182 /nfs/dbraw/zinc/30/51/82/587305182.db2.gz WYPYXIBCODRAEG-UWVGGRQHSA-N 1 2 235.274 1.627 20 0 BDADLO C/C(=C/C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741134 587335881 /nfs/dbraw/zinc/33/58/81/587335881.db2.gz IURVOTNCCCIBLY-HUMZTAOYSA-N 1 2 240.347 1.480 20 0 BDADLO C/C(=C/C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C(=O)[O-] ZINC000825741134 587335882 /nfs/dbraw/zinc/33/58/82/587335882.db2.gz IURVOTNCCCIBLY-HUMZTAOYSA-N 1 2 240.347 1.480 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCc1[nH+]ccn1C ZINC000826012297 587348370 /nfs/dbraw/zinc/34/83/70/587348370.db2.gz LGSBWXRWJMFLIC-GFCCVEGCSA-N 1 2 241.310 1.955 20 0 BDADLO Cc1cc[nH+]c(N[C@H](C)C2CC2)c1-c1nn[nH]n1 ZINC000826311803 587351952 /nfs/dbraw/zinc/35/19/52/587351952.db2.gz NXMWIXPYQDKLOP-MRVPVSSYSA-N 1 2 244.302 1.781 20 0 BDADLO CO[C@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826724515 587360169 /nfs/dbraw/zinc/36/01/69/587360169.db2.gz LOHLKEFHMWTEML-ZWNOBZJWSA-N 1 2 248.326 1.324 20 0 BDADLO CO[C@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826724515 587360170 /nfs/dbraw/zinc/36/01/70/587360170.db2.gz LOHLKEFHMWTEML-ZWNOBZJWSA-N 1 2 248.326 1.324 20 0 BDADLO CO[C@@H](C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826724511 587360206 /nfs/dbraw/zinc/36/02/06/587360206.db2.gz LOHLKEFHMWTEML-GWCFXTLKSA-N 1 2 248.326 1.324 20 0 BDADLO CO[C@@H](C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826724511 587360207 /nfs/dbraw/zinc/36/02/07/587360207.db2.gz LOHLKEFHMWTEML-GWCFXTLKSA-N 1 2 248.326 1.324 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000826734276 587360436 /nfs/dbraw/zinc/36/04/36/587360436.db2.gz QHEGWOZGVDOFTA-ISALQUGTSA-N 1 2 247.342 1.938 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826872877 587364613 /nfs/dbraw/zinc/36/46/13/587364613.db2.gz ZFBTZCRGTUYXLJ-MGCOHNPYSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCC=CO2)o1 ZINC000827039560 587368671 /nfs/dbraw/zinc/36/86/71/587368671.db2.gz ZBDUBSSFESFAPY-SNVBAGLBSA-N 1 2 223.276 1.503 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCC=CO2)o1 ZINC000827039560 587368672 /nfs/dbraw/zinc/36/86/72/587368672.db2.gz ZBDUBSSFESFAPY-SNVBAGLBSA-N 1 2 223.276 1.503 20 0 BDADLO CC1=NO[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000827400835 587379916 /nfs/dbraw/zinc/37/99/16/587379916.db2.gz HYIJWRHDMKQPNW-JTQLQIEISA-N 1 2 244.254 1.438 20 0 BDADLO COC[C@@H]1CCCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000827416283 587380421 /nfs/dbraw/zinc/38/04/21/587380421.db2.gz QOFRZWFOOIYXJZ-FYJFLYSWSA-N 1 2 249.314 1.071 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC000827423269 587380834 /nfs/dbraw/zinc/38/08/34/587380834.db2.gz LKLRGXQLPYTNMY-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC000827423269 587380835 /nfs/dbraw/zinc/38/08/35/587380835.db2.gz LKLRGXQLPYTNMY-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@H](O)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000827560894 587388618 /nfs/dbraw/zinc/38/86/18/587388618.db2.gz YWINVGIYGZEUGM-NSHDSACASA-N 1 2 249.314 1.310 20 0 BDADLO CCCONC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000828338900 587436906 /nfs/dbraw/zinc/43/69/06/587436906.db2.gz UVDSHEDOFXYCOC-RKDXNWHRSA-N 1 2 238.291 1.530 20 0 BDADLO COc1cc(C)nc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000828358475 587438001 /nfs/dbraw/zinc/43/80/01/587438001.db2.gz QYJWGDZPDGKMGV-SECBINFHSA-N 1 2 245.286 1.547 20 0 BDADLO COC(=O)c1csc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000828534056 587448849 /nfs/dbraw/zinc/44/88/49/587448849.db2.gz XVRVJFWQPHGDAR-IONNQARKSA-N 1 2 238.312 1.524 20 0 BDADLO COC(=O)c1csc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000828534056 587448850 /nfs/dbraw/zinc/44/88/50/587448850.db2.gz XVRVJFWQPHGDAR-IONNQARKSA-N 1 2 238.312 1.524 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828643649 587455085 /nfs/dbraw/zinc/45/50/85/587455085.db2.gz ZEPZOKDLOPLQMX-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO CCC(F)(F)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000828773573 587461461 /nfs/dbraw/zinc/46/14/61/587461461.db2.gz GVURLMQLELOYQV-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CCC(F)(F)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000828773573 587461462 /nfs/dbraw/zinc/46/14/62/587461462.db2.gz GVURLMQLELOYQV-QMMMGPOBSA-N 1 2 220.263 1.194 20 0 BDADLO CCCn1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000828899318 587470012 /nfs/dbraw/zinc/47/00/12/587470012.db2.gz JVCBITUWJFCZPP-UHFFFAOYSA-N 1 2 233.275 1.197 20 0 BDADLO CC/C(C)=C\C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000828979211 587477392 /nfs/dbraw/zinc/47/73/92/587477392.db2.gz NBEIMHGQPUGCOQ-YFHOEESVSA-N 1 2 233.315 1.890 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829070781 587482211 /nfs/dbraw/zinc/48/22/11/587482211.db2.gz IPQQWGCGCUVVLY-NXEZZACHSA-N 1 2 245.326 1.830 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829110930 587483310 /nfs/dbraw/zinc/48/33/10/587483310.db2.gz IPQQWGCGCUVVLY-VHSXEESVSA-N 1 2 245.326 1.830 20 0 BDADLO CCCC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829112121 587483330 /nfs/dbraw/zinc/48/33/30/587483330.db2.gz ZDCXVVZSTNCZTN-UHFFFAOYSA-N 1 2 233.315 1.974 20 0 BDADLO CC(=O)CC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829115774 587483449 /nfs/dbraw/zinc/48/34/49/587483449.db2.gz KCTDTRGCNKDGGL-UHFFFAOYSA-N 1 2 239.706 1.467 20 0 BDADLO CC(=O)CC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829115774 587483450 /nfs/dbraw/zinc/48/34/50/587483450.db2.gz KCTDTRGCNKDGGL-UHFFFAOYSA-N 1 2 239.706 1.467 20 0 BDADLO C[C@@H]1CCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829144013 587483971 /nfs/dbraw/zinc/48/39/71/587483971.db2.gz ALSROONRDYTOID-ZBJFTSOASA-N 1 2 205.261 1.054 20 0 BDADLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000829514354 587501617 /nfs/dbraw/zinc/50/16/17/587501617.db2.gz VCIYWDXODYPXDC-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccncc1 ZINC000829715212 587511211 /nfs/dbraw/zinc/51/12/11/587511211.db2.gz NTFZOBDRUDDNNI-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO C[N@H+](CC[S@](C)=O)Cc1c(F)cccc1F ZINC000830034887 587532940 /nfs/dbraw/zinc/53/29/40/587532940.db2.gz VARZYHYLNIEPBK-INIZCTEOSA-N 1 2 247.310 1.775 20 0 BDADLO C[N@@H+](CC[S@](C)=O)Cc1c(F)cccc1F ZINC000830034887 587532941 /nfs/dbraw/zinc/53/29/41/587532941.db2.gz VARZYHYLNIEPBK-INIZCTEOSA-N 1 2 247.310 1.775 20 0 BDADLO C[C@H]1COC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830223824 587542167 /nfs/dbraw/zinc/54/21/67/587542167.db2.gz VFSHFVURDRIZHV-UFBFGSQYSA-N 1 2 245.282 1.328 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cn1 ZINC000830707519 587565040 /nfs/dbraw/zinc/56/50/40/587565040.db2.gz FMYRGQYSHLDZQA-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cn1 ZINC000830707519 587565041 /nfs/dbraw/zinc/56/50/41/587565041.db2.gz FMYRGQYSHLDZQA-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO CC[C@H](C[C@H](C)O)NC(=O)CCc1[nH]cc[nH+]1 ZINC000831309830 587597190 /nfs/dbraw/zinc/59/71/90/587597190.db2.gz FCMUFYBTGLYSPO-VHSXEESVSA-N 1 2 239.319 1.008 20 0 BDADLO CCc1c[nH]c(CC(=O)NCCC2CC=CC2)[nH+]1 ZINC000831420368 587605390 /nfs/dbraw/zinc/60/53/90/587605390.db2.gz SAPMFQSQHCRGES-UHFFFAOYSA-N 1 2 247.342 1.987 20 0 BDADLO CCON(CC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000831454374 587609257 /nfs/dbraw/zinc/60/92/57/587609257.db2.gz KKQLEXIVKNSEOB-JTQLQIEISA-N 1 2 237.303 1.246 20 0 BDADLO CCCc1cc(NC(=O)Cc2[nH]cc[nH+]2)n(C)n1 ZINC000831638753 587625070 /nfs/dbraw/zinc/62/50/70/587625070.db2.gz LQYGYGULXVMJNQ-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000831740382 587629780 /nfs/dbraw/zinc/62/97/80/587629780.db2.gz WGPDQBJUPYZABV-NSHDSACASA-N 1 2 248.330 1.769 20 0 BDADLO CCCONC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000831764388 587630635 /nfs/dbraw/zinc/63/06/35/587630635.db2.gz WHQRXNGOPBTJID-UHFFFAOYSA-N 1 2 234.259 1.797 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000832355648 587656025 /nfs/dbraw/zinc/65/60/25/587656025.db2.gz RGHOWVZVEATKFR-CDCCAWJDSA-N 1 2 233.315 1.670 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000832355649 587656027 /nfs/dbraw/zinc/65/60/27/587656027.db2.gz RGHOWVZVEATKFR-RUYJGKKWSA-N 1 2 233.315 1.670 20 0 BDADLO CSC(C)(C)C(=O)NC1C[NH+](C(C)C)C1 ZINC000832485653 587662978 /nfs/dbraw/zinc/66/29/78/587662978.db2.gz CZTWSBPFILRRBQ-UHFFFAOYSA-N 1 2 230.377 1.337 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000832569613 587667052 /nfs/dbraw/zinc/66/70/52/587667052.db2.gz FQKCWZIGQGRULV-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO CCCCCCN1CC[N@H+](CCO)C[C@H]1C ZINC000832782367 587689065 /nfs/dbraw/zinc/68/90/65/587689065.db2.gz HCVKXJOMLCHGAX-CYBMUJFWSA-N 1 2 228.380 1.565 20 0 BDADLO CCCCCCN1CC[N@@H+](CCO)C[C@H]1C ZINC000832782367 587689066 /nfs/dbraw/zinc/68/90/66/587689066.db2.gz HCVKXJOMLCHGAX-CYBMUJFWSA-N 1 2 228.380 1.565 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1CCn2cc[nH+]c21 ZINC000833271878 587704329 /nfs/dbraw/zinc/70/43/29/587704329.db2.gz JTQNXZMMHSLTSE-NOOOWODRSA-N 1 2 245.326 1.880 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833286701 587704722 /nfs/dbraw/zinc/70/47/22/587704722.db2.gz ZWXQTTAWLDEGRZ-RKDXNWHRSA-N 1 2 219.288 1.490 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833300695 587705114 /nfs/dbraw/zinc/70/51/14/587705114.db2.gz QIBWUIRWXBOITO-NXEZZACHSA-N 1 2 221.304 1.880 20 0 BDADLO CCC[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833300697 587705128 /nfs/dbraw/zinc/70/51/28/587705128.db2.gz QIBWUIRWXBOITO-VHSXEESVSA-N 1 2 221.304 1.880 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833302044 587705290 /nfs/dbraw/zinc/70/52/90/587705290.db2.gz XBFLKKWIQHXRIE-JTQLQIEISA-N 1 2 221.304 1.880 20 0 BDADLO Cc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c32)n1 ZINC000833301131 587705519 /nfs/dbraw/zinc/70/55/19/587705519.db2.gz RZWOHGOGUSJUOI-JTQLQIEISA-N 1 2 242.282 1.461 20 0 BDADLO Cc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000833301132 587705564 /nfs/dbraw/zinc/70/55/64/587705564.db2.gz RZWOHGOGUSJUOI-SNVBAGLBSA-N 1 2 242.282 1.461 20 0 BDADLO C[C@@H](C[N@H+](CCn1cc[nH+]c1)C1CC1)C(=O)[O-] ZINC000833516403 587718469 /nfs/dbraw/zinc/71/84/69/587718469.db2.gz MSXVNBKJAVGZQA-JTQLQIEISA-N 1 2 237.303 1.068 20 0 BDADLO C[C@@H](C[N@@H+](CCn1cc[nH+]c1)C1CC1)C(=O)[O-] ZINC000833516403 587718471 /nfs/dbraw/zinc/71/84/71/587718471.db2.gz MSXVNBKJAVGZQA-JTQLQIEISA-N 1 2 237.303 1.068 20 0 BDADLO CC(C)=CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000834331455 587752084 /nfs/dbraw/zinc/75/20/84/587752084.db2.gz OCPPSWGFNSPAJD-UHFFFAOYSA-N 1 2 207.277 1.425 20 0 BDADLO Cc1cscc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000834649360 587762779 /nfs/dbraw/zinc/76/27/79/587762779.db2.gz ZVLUCWPSHNHDHG-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC1(F)F ZINC000835195956 587788544 /nfs/dbraw/zinc/78/85/44/587788544.db2.gz VHBQKVRUNSEVQE-SSDOTTSWSA-N 1 2 216.187 1.119 20 0 BDADLO CC[C@@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836516081 587834662 /nfs/dbraw/zinc/83/46/62/587834662.db2.gz HGWUICJXKSEAOG-GHMZBOCLSA-N 1 2 248.330 1.912 20 0 BDADLO C[C@@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836515811 587834668 /nfs/dbraw/zinc/83/46/68/587834668.db2.gz IYICTUVWONWWKH-GHMZBOCLSA-N 1 2 248.330 1.912 20 0 BDADLO COC/C=C/C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000867179033 587834771 /nfs/dbraw/zinc/83/47/71/587834771.db2.gz ASDMECUFQUPSJM-GFAPAMAISA-N 1 2 235.287 1.276 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1nonc1C ZINC000836951638 587843780 /nfs/dbraw/zinc/84/37/80/587843780.db2.gz YWYPODPAZHZMJA-QMMMGPOBSA-N 1 2 249.274 1.085 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2=COCC2)c[nH+]1 ZINC000837103355 587853856 /nfs/dbraw/zinc/85/38/56/587853856.db2.gz GXWZHURGKBMMMA-UHFFFAOYSA-N 1 2 232.283 1.619 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C2(F)CCCC2)C1 ZINC000837544387 587881083 /nfs/dbraw/zinc/88/10/83/587881083.db2.gz HNSPBYXPHNWRGA-UHFFFAOYSA-N 1 2 228.311 1.478 20 0 BDADLO CC[C@@H](O)CC(=O)OCc1c[nH+]ccc1OC ZINC000837811111 587897160 /nfs/dbraw/zinc/89/71/60/587897160.db2.gz PIWZXZASXPILIM-SNVBAGLBSA-N 1 2 239.271 1.294 20 0 BDADLO C[C@H]1C[C@]2(CCO1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840818211 587923113 /nfs/dbraw/zinc/92/31/13/587923113.db2.gz MOPCZWFBLDILOB-GXFFZTMASA-N 1 2 238.331 1.256 20 0 BDADLO C[C@@H]1C[C@]2(CCO1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840818233 587923153 /nfs/dbraw/zinc/92/31/53/587923153.db2.gz MOPCZWFBLDILOB-ZWNOBZJWSA-N 1 2 238.331 1.256 20 0 BDADLO C[C@@H]1CC[C@@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840821133 587923311 /nfs/dbraw/zinc/92/33/11/587923311.db2.gz YKQPABSDVPXWIK-ZWNOBZJWSA-N 1 2 222.332 1.877 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CSC[C@H]1C ZINC000840959099 587932474 /nfs/dbraw/zinc/93/24/74/587932474.db2.gz SZERZMQVCYAVHH-DVVUODLYSA-N 1 2 243.372 1.669 20 0 BDADLO CO[C@H](CC(C)C)C(=O)NC1=[NH+]CCS1 ZINC000841025887 587935504 /nfs/dbraw/zinc/93/55/04/587935504.db2.gz OVNSKYPIKAUJEF-MRVPVSSYSA-N 1 2 230.333 1.267 20 0 BDADLO NC(=[NH+]OCCc1cscn1)[C@@H]1CCCO1 ZINC000842047418 587992921 /nfs/dbraw/zinc/99/29/21/587992921.db2.gz MZSNRPBQAWQEIT-VIFPVBQESA-N 1 2 241.316 1.363 20 0 BDADLO COCC(C)(C)CC(=O)OCc1c[nH+]cn1C ZINC000842313818 588016548 /nfs/dbraw/zinc/01/65/48/588016548.db2.gz QNJHGMSWVRNVNJ-UHFFFAOYSA-N 1 2 240.303 1.526 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000842610940 588045731 /nfs/dbraw/zinc/04/57/31/588045731.db2.gz UFFSBZMFEUWYIW-LLVKDONJSA-N 1 2 243.738 1.993 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000842610940 588045733 /nfs/dbraw/zinc/04/57/33/588045733.db2.gz UFFSBZMFEUWYIW-LLVKDONJSA-N 1 2 243.738 1.993 20 0 BDADLO CC(C)=CCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842657038 588049925 /nfs/dbraw/zinc/04/99/25/588049925.db2.gz QXHHVCSGZJYQAT-LLVKDONJSA-N 1 2 242.319 1.647 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000842752470 588059608 /nfs/dbraw/zinc/05/96/08/588059608.db2.gz MOYYSIAKBVDEGJ-GHMZBOCLSA-N 1 2 238.287 1.055 20 0 BDADLO C[N@H+](Cc1ccc2c(c1)COC2)[C@@H](C[NH3+])C1CC1 ZINC000843386337 588105715 /nfs/dbraw/zinc/10/57/15/588105715.db2.gz HCUUXJQXEDTHKM-HNNXBMFYSA-N 1 2 246.354 1.886 20 0 BDADLO C[N@@H+](Cc1ccc2c(c1)COC2)[C@@H](C[NH3+])C1CC1 ZINC000843386337 588105717 /nfs/dbraw/zinc/10/57/17/588105717.db2.gz HCUUXJQXEDTHKM-HNNXBMFYSA-N 1 2 246.354 1.886 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)co1 ZINC000843418564 588107205 /nfs/dbraw/zinc/10/72/05/588107205.db2.gz VWUXAQNHWICPEC-LBPRGKRZSA-N 1 2 239.340 1.988 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)co1 ZINC000843418564 588107207 /nfs/dbraw/zinc/10/72/07/588107207.db2.gz VWUXAQNHWICPEC-LBPRGKRZSA-N 1 2 239.340 1.988 20 0 BDADLO CCn1ncc(C[N@H+](CC)CCSC)n1 ZINC000843437297 588109728 /nfs/dbraw/zinc/10/97/28/588109728.db2.gz AFLWWRPAAGZATG-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CCn1ncc(C[N@@H+](CC)CCSC)n1 ZINC000843437297 588109730 /nfs/dbraw/zinc/10/97/30/588109730.db2.gz AFLWWRPAAGZATG-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(F)CC1 ZINC000843549871 588121987 /nfs/dbraw/zinc/12/19/87/588121987.db2.gz ZKIWGKXCMNWEQY-UHFFFAOYSA-N 1 2 208.236 1.507 20 0 BDADLO C/C=C/C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000843750413 588137525 /nfs/dbraw/zinc/13/75/25/588137525.db2.gz XPPRTUNBOGFPAE-HWKANZROSA-N 1 2 243.310 1.878 20 0 BDADLO O=C(N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1(F)CC1 ZINC000843780409 588139731 /nfs/dbraw/zinc/13/97/31/588139731.db2.gz KMCGIYPECVGQRG-SECBINFHSA-N 1 2 237.278 1.965 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC(=O)C1 ZINC000843794810 588140617 /nfs/dbraw/zinc/14/06/17/588140617.db2.gz BVXZBQFXPZOJPR-VIFPVBQESA-N 1 2 243.266 1.642 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000843883163 588147233 /nfs/dbraw/zinc/14/72/33/588147233.db2.gz BCPUKBWVQDFQOF-HJWRWDBZSA-N 1 2 248.330 1.730 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)O[C@@H](C)COC ZINC000867333962 588147548 /nfs/dbraw/zinc/14/75/48/588147548.db2.gz KIMRKIGHCOPPRG-VIFPVBQESA-N 1 2 241.291 1.164 20 0 BDADLO O=C1OCC[C@@H]1CC[N@H+]1CCCC(F)(F)C1 ZINC000844375594 588188082 /nfs/dbraw/zinc/18/80/82/588188082.db2.gz SBFOFGNJPIOUOV-VIFPVBQESA-N 1 2 233.258 1.671 20 0 BDADLO O=C1OCC[C@@H]1CC[N@@H+]1CCCC(F)(F)C1 ZINC000844375594 588188084 /nfs/dbraw/zinc/18/80/84/588188084.db2.gz SBFOFGNJPIOUOV-VIFPVBQESA-N 1 2 233.258 1.671 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nonc1C ZINC000844388399 588188997 /nfs/dbraw/zinc/18/89/97/588188997.db2.gz YLGHAQJDWWUKLO-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nonc1C ZINC000844388399 588188999 /nfs/dbraw/zinc/18/89/99/588188999.db2.gz YLGHAQJDWWUKLO-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450435 588194947 /nfs/dbraw/zinc/19/49/47/588194947.db2.gz OIFCRWQQTSGNQI-OCAPTIKFSA-N 1 2 243.257 1.719 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844450435 588194948 /nfs/dbraw/zinc/19/49/48/588194948.db2.gz OIFCRWQQTSGNQI-OCAPTIKFSA-N 1 2 243.257 1.719 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@@H]1C[C@H]1C1CCC1 ZINC000844550609 588202031 /nfs/dbraw/zinc/20/20/31/588202031.db2.gz ARRFAOPVTJGWFR-QJPTWQEYSA-N 1 2 245.326 1.880 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CC23CCCC3)CCO1 ZINC000844680423 588213226 /nfs/dbraw/zinc/21/32/26/588213226.db2.gz JAYWBVHOBMMNJE-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CC23CCCC3)CCO1 ZINC000844680423 588213228 /nfs/dbraw/zinc/21/32/28/588213228.db2.gz JAYWBVHOBMMNJE-LLVKDONJSA-N 1 2 238.331 1.210 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCOC2=S)[C@@H](C)CO1 ZINC000844734595 588215476 /nfs/dbraw/zinc/21/54/76/588215476.db2.gz XXTBWEZXLAFNQQ-VHSXEESVSA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCOC2=S)[C@@H](C)CO1 ZINC000844734595 588215477 /nfs/dbraw/zinc/21/54/77/588215477.db2.gz XXTBWEZXLAFNQQ-VHSXEESVSA-N 1 2 244.360 1.060 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CCC1 ZINC000845221326 588224072 /nfs/dbraw/zinc/22/40/72/588224072.db2.gz UPJBNYXMFLZDQS-NWDGAFQWSA-N 1 2 234.299 1.863 20 0 BDADLO C[C@H](CC(=O)OCC(F)F)n1cc[nH+]c1 ZINC000845282530 588225545 /nfs/dbraw/zinc/22/55/45/588225545.db2.gz OYUTWLVANPBGBP-SSDOTTSWSA-N 1 2 218.203 1.643 20 0 BDADLO CC[C@@H](COC(=O)C[C@H](C)n1cc[nH+]c1)OC ZINC000845285791 588225654 /nfs/dbraw/zinc/22/56/54/588225654.db2.gz KKKKYASHBXCDSY-QWRGUYRKSA-N 1 2 240.303 1.802 20 0 BDADLO c1csc(CC[N@@H+]2CCn3cnnc3C2)c1 ZINC000105880843 588229015 /nfs/dbraw/zinc/22/90/15/588229015.db2.gz VSCZOQJUWMLPNK-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO c1csc(CC[N@H+]2CCn3cnnc3C2)c1 ZINC000105880843 588229016 /nfs/dbraw/zinc/22/90/16/588229016.db2.gz VSCZOQJUWMLPNK-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO C[C@H](CC(=O)OCc1cncn1C)n1cc[nH+]c1 ZINC000845479580 588229869 /nfs/dbraw/zinc/22/98/69/588229869.db2.gz REKNZKXWKJGZQL-SNVBAGLBSA-N 1 2 248.286 1.311 20 0 BDADLO C[C@H](CC(=O)O[C@@H]1CCCOC1)n1cc[nH+]c1 ZINC000845490275 588230384 /nfs/dbraw/zinc/23/03/84/588230384.db2.gz WZZDPBBQNUNOGT-GHMZBOCLSA-N 1 2 238.287 1.556 20 0 BDADLO Cc1c[nH]nc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846012461 588253386 /nfs/dbraw/zinc/25/33/86/588253386.db2.gz BOCIFPSDFDUXLT-VIFPVBQESA-N 1 2 233.275 1.504 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnccn2)[C@@H](CC)CO1 ZINC000846028160 588253940 /nfs/dbraw/zinc/25/39/40/588253940.db2.gz XRYPPEXEMDYUGZ-STQMWFEESA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnccn2)[C@@H](CC)CO1 ZINC000846028160 588253941 /nfs/dbraw/zinc/25/39/41/588253941.db2.gz XRYPPEXEMDYUGZ-STQMWFEESA-N 1 2 235.331 1.866 20 0 BDADLO CCONC(=O)C[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC000846087934 588255807 /nfs/dbraw/zinc/25/58/07/588255807.db2.gz VOEGTCRRUXHKFG-RYUDHWBXSA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+]C1CCC(C)(C)CC1 ZINC000846088986 588256110 /nfs/dbraw/zinc/25/61/10/588256110.db2.gz NRVHBIUJLZKMOX-UHFFFAOYSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCCC12CCC2 ZINC000846090835 588256196 /nfs/dbraw/zinc/25/61/96/588256196.db2.gz KLYKJAFKAYUYPF-JTQLQIEISA-N 1 2 226.320 1.367 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000846088699 588256256 /nfs/dbraw/zinc/25/62/56/588256256.db2.gz ZTYITIRYLKHGDG-VXGBXAGGSA-N 1 2 242.363 1.859 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000846090019 588256342 /nfs/dbraw/zinc/25/63/42/588256342.db2.gz BSIIBPZNMZPKHM-OUAUKWLOSA-N 1 2 228.336 1.468 20 0 BDADLO CC(C)(NC(=O)/C=C\[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000846248929 588262730 /nfs/dbraw/zinc/26/27/30/588262730.db2.gz ZUPYAEOFYJAVOP-OMMCCPJFSA-N 1 2 249.314 1.496 20 0 BDADLO CC(C)(NC(=O)/C=C/[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000846248930 588262813 /nfs/dbraw/zinc/26/28/13/588262813.db2.gz ZUPYAEOFYJAVOP-PORFMDCZSA-N 1 2 249.314 1.496 20 0 BDADLO CCOC(CN(C)Cc1[nH+]ccn1C)OCC ZINC000106365560 588269213 /nfs/dbraw/zinc/26/92/13/588269213.db2.gz YBTQSAYRHHGQFJ-UHFFFAOYSA-N 1 2 241.335 1.251 20 0 BDADLO C[C@H](CCO)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000846599655 588278843 /nfs/dbraw/zinc/27/88/43/588278843.db2.gz HJIGGQRDPYODKG-SNVBAGLBSA-N 1 2 247.298 1.177 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846768530 588287101 /nfs/dbraw/zinc/28/71/01/588287101.db2.gz MXRPLMYIRBZXEP-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846768530 588287102 /nfs/dbraw/zinc/28/71/02/588287102.db2.gz MXRPLMYIRBZXEP-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO COCCC[N@H+](CCOC)Cc1cnsn1 ZINC000846782578 588287859 /nfs/dbraw/zinc/28/78/59/588287859.db2.gz UTSUTSDCABWCMM-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO COCCC[N@@H+](CCOC)Cc1cnsn1 ZINC000846782578 588287860 /nfs/dbraw/zinc/28/78/60/588287860.db2.gz UTSUTSDCABWCMM-UHFFFAOYSA-N 1 2 245.348 1.023 20 0 BDADLO COCC1CC[NH+](Cc2cnsn2)CC1 ZINC000846805542 588289570 /nfs/dbraw/zinc/28/95/70/588289570.db2.gz YLNCPLCXZVCEDF-UHFFFAOYSA-N 1 2 227.333 1.397 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCOCC[C@@H]2C)on1 ZINC000846847456 588292960 /nfs/dbraw/zinc/29/29/60/588292960.db2.gz MOZPMWPERQQQQO-VIFPVBQESA-N 1 2 238.287 1.488 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCOCC[C@@H]2C)on1 ZINC000846847456 588292961 /nfs/dbraw/zinc/29/29/61/588292961.db2.gz MOZPMWPERQQQQO-VIFPVBQESA-N 1 2 238.287 1.488 20 0 BDADLO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cnsn2)C1 ZINC000846856283 588293430 /nfs/dbraw/zinc/29/34/30/588293430.db2.gz AHJBKTNHHAWCDU-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cnsn2)C1 ZINC000846856283 588293431 /nfs/dbraw/zinc/29/34/31/588293431.db2.gz AHJBKTNHHAWCDU-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+]1Cc1cnsn1 ZINC000846871802 588294315 /nfs/dbraw/zinc/29/43/15/588294315.db2.gz UWWBTFJLTCQXCO-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@]1(CO)CCC[N@H+]1Cc1cnsn1 ZINC000846871802 588294316 /nfs/dbraw/zinc/29/43/16/588294316.db2.gz UWWBTFJLTCQXCO-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2nonc2c1 ZINC000846887109 588295442 /nfs/dbraw/zinc/29/54/42/588295442.db2.gz GNAUZHQLXUUXSX-QMMMGPOBSA-N 1 2 249.270 1.216 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846887109 588295443 /nfs/dbraw/zinc/29/54/43/588295443.db2.gz GNAUZHQLXUUXSX-QMMMGPOBSA-N 1 2 249.270 1.216 20 0 BDADLO C[N@H+](Cc1cnsn1)[C@H](CO)CC(C)(C)C ZINC000846974406 588299682 /nfs/dbraw/zinc/29/96/82/588299682.db2.gz NTXFDHPFIHQWAT-JTQLQIEISA-N 1 2 243.376 1.767 20 0 BDADLO C[N@@H+](Cc1cnsn1)[C@H](CO)CC(C)(C)C ZINC000846974406 588299683 /nfs/dbraw/zinc/29/96/83/588299683.db2.gz NTXFDHPFIHQWAT-JTQLQIEISA-N 1 2 243.376 1.767 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCOC ZINC000847058652 588305537 /nfs/dbraw/zinc/30/55/37/588305537.db2.gz SUABERNZZVRBGC-UHFFFAOYSA-N 1 2 217.309 1.344 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CC[C@@H](C)O ZINC000847064404 588305633 /nfs/dbraw/zinc/30/56/33/588305633.db2.gz SZJMQVOBMQQNAI-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO CCO/C=C\C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000847437342 588313066 /nfs/dbraw/zinc/31/30/66/588313066.db2.gz LDJWDIPDBZJSNB-LRAPTIAOSA-N 1 2 249.314 1.597 20 0 BDADLO C[N@H+](Cn1c2ccccc2oc1=O)[C@@H]1CCOC1 ZINC000106857792 588313340 /nfs/dbraw/zinc/31/33/40/588313340.db2.gz NVVHYDLCMRJHIN-SNVBAGLBSA-N 1 2 248.282 1.273 20 0 BDADLO C[N@@H+](Cn1c2ccccc2oc1=O)[C@@H]1CCOC1 ZINC000106857792 588313342 /nfs/dbraw/zinc/31/33/42/588313342.db2.gz NVVHYDLCMRJHIN-SNVBAGLBSA-N 1 2 248.282 1.273 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)O[C@H]1CCOC1 ZINC000107007188 588321589 /nfs/dbraw/zinc/32/15/89/588321589.db2.gz NNLWCZDAGIKLPQ-NSHDSACASA-N 1 2 246.266 1.209 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC=CO1 ZINC000847843324 588336457 /nfs/dbraw/zinc/33/64/57/588336457.db2.gz AZRSNINUXLTCLB-CMPLNLGQSA-N 1 2 249.314 1.397 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC=CO1 ZINC000847843324 588336459 /nfs/dbraw/zinc/33/64/59/588336459.db2.gz AZRSNINUXLTCLB-CMPLNLGQSA-N 1 2 249.314 1.397 20 0 BDADLO CO[C@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000107288039 588346480 /nfs/dbraw/zinc/34/64/80/588346480.db2.gz KICICDWHFSANHT-SECBINFHSA-N 1 2 208.261 1.754 20 0 BDADLO C/C=C\C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000848096737 588355743 /nfs/dbraw/zinc/35/57/43/588355743.db2.gz HFLLRLWTTRIPSI-IHWYPQMZSA-N 1 2 246.301 1.656 20 0 BDADLO C=C=CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848113980 588357133 /nfs/dbraw/zinc/35/71/33/588357133.db2.gz NWFZMRWCFCDNNK-VIFPVBQESA-N 1 2 205.261 1.046 20 0 BDADLO C=C=CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848113980 588357135 /nfs/dbraw/zinc/35/71/35/588357135.db2.gz NWFZMRWCFCDNNK-VIFPVBQESA-N 1 2 205.261 1.046 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387207 588376027 /nfs/dbraw/zinc/37/60/27/588376027.db2.gz NWARPZXQBUZJGA-SFYZADRCSA-N 1 2 213.256 1.581 20 0 BDADLO CO[C@@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848386963 588376122 /nfs/dbraw/zinc/37/61/22/588376122.db2.gz CCFFXPFXNDVYCS-JGVFFNPUSA-N 1 2 211.265 1.012 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(Cl)n2C)no1 ZINC000848528012 588393222 /nfs/dbraw/zinc/39/32/22/588393222.db2.gz COKZMSVHCCOZIN-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCC=CO1 ZINC000848687020 588405679 /nfs/dbraw/zinc/40/56/79/588405679.db2.gz QGKJBJKSTZMLQB-JTQLQIEISA-N 1 2 235.287 1.898 20 0 BDADLO COCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780641 588413452 /nfs/dbraw/zinc/41/34/52/588413452.db2.gz NJTGEZIVFUQLIC-UHFFFAOYSA-N 1 2 234.255 1.446 20 0 BDADLO O=C1O[C@H](CNc2cccc[nH+]2)CN1C1CC1 ZINC000848794220 588413685 /nfs/dbraw/zinc/41/36/85/588413685.db2.gz PMOAJZYKHPZXDK-SNVBAGLBSA-N 1 2 233.271 1.477 20 0 BDADLO CC(C)[N@H+](Cc1cnc(Cl)n1C)C1COC1 ZINC000848914760 588419896 /nfs/dbraw/zinc/41/98/96/588419896.db2.gz SIFIUSRLUHETOK-UHFFFAOYSA-N 1 2 243.738 1.683 20 0 BDADLO CC(C)[N@@H+](Cc1cnc(Cl)n1C)C1COC1 ZINC000848914760 588419898 /nfs/dbraw/zinc/41/98/98/588419898.db2.gz SIFIUSRLUHETOK-UHFFFAOYSA-N 1 2 243.738 1.683 20 0 BDADLO O=C(OCC[NH+]1CCOCC1)C1CC2(CC2)C1 ZINC000850214203 588529543 /nfs/dbraw/zinc/52/95/43/588529543.db2.gz GLJRYCHKTDXUMM-UHFFFAOYSA-N 1 2 239.315 1.052 20 0 BDADLO Cn1cc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)nn1 ZINC000850371796 588541094 /nfs/dbraw/zinc/54/10/94/588541094.db2.gz MBGHKBLXSQMBLB-QWHCGFSZSA-N 1 2 244.298 1.083 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)n1 ZINC000850375994 588542151 /nfs/dbraw/zinc/54/21/51/588542151.db2.gz VIJKTSZWXPUTQG-QWHCGFSZSA-N 1 2 243.310 1.986 20 0 BDADLO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ncc[nH]1 ZINC000850533644 588558326 /nfs/dbraw/zinc/55/83/26/588558326.db2.gz APSSQEAVAIBOJB-SECBINFHSA-N 1 2 245.330 1.871 20 0 BDADLO CO[C@@H](C(=O)OCc1c[nH+]cn1C)C1CCC1 ZINC000850868877 588571917 /nfs/dbraw/zinc/57/19/17/588571917.db2.gz KAKRSISZDBXLNB-LLVKDONJSA-N 1 2 238.287 1.278 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1CC2(CC2)C1 ZINC000850998202 588582776 /nfs/dbraw/zinc/58/27/76/588582776.db2.gz NWHOXJTXUFCWIS-LLVKDONJSA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1CC2(CC2)C1 ZINC000850998202 588582777 /nfs/dbraw/zinc/58/27/77/588582777.db2.gz NWHOXJTXUFCWIS-LLVKDONJSA-N 1 2 241.306 1.764 20 0 BDADLO C[N@H+](Cc1cnon1)Cc1cccc(F)c1 ZINC000851719310 588616540 /nfs/dbraw/zinc/61/65/40/588616540.db2.gz YDADBPFCVVFHID-UHFFFAOYSA-N 1 2 221.235 1.841 20 0 BDADLO C[N@@H+](Cc1cnon1)Cc1cccc(F)c1 ZINC000851719310 588616541 /nfs/dbraw/zinc/61/65/41/588616541.db2.gz YDADBPFCVVFHID-UHFFFAOYSA-N 1 2 221.235 1.841 20 0 BDADLO CN1CC[N@H+](Cc2cnon2)Cc2ccccc21 ZINC000851746960 588622239 /nfs/dbraw/zinc/62/22/39/588622239.db2.gz BUKXAACCNODKSF-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO CN1CC[N@@H+](Cc2cnon2)Cc2ccccc21 ZINC000851746960 588622240 /nfs/dbraw/zinc/62/22/40/588622240.db2.gz BUKXAACCNODKSF-UHFFFAOYSA-N 1 2 244.298 1.522 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC000851778797 588626837 /nfs/dbraw/zinc/62/68/37/588626837.db2.gz IVTLHFLVKUVGPP-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC000851778797 588626838 /nfs/dbraw/zinc/62/68/38/588626838.db2.gz IVTLHFLVKUVGPP-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@H]1COC(C)(C)O1 ZINC000851781410 588627317 /nfs/dbraw/zinc/62/73/17/588627317.db2.gz WJXQUXSLZLGBJQ-JTQLQIEISA-N 1 2 226.276 1.258 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@H]1COC(C)(C)O1 ZINC000851781410 588627318 /nfs/dbraw/zinc/62/73/18/588627318.db2.gz WJXQUXSLZLGBJQ-JTQLQIEISA-N 1 2 226.276 1.258 20 0 BDADLO c1nonc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000851794241 588629501 /nfs/dbraw/zinc/62/95/01/588629501.db2.gz QFLGEJILDCCHRQ-UHFFFAOYSA-N 1 2 237.303 1.461 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2cccc(F)n2)[C@@H]1C ZINC000851812256 588632672 /nfs/dbraw/zinc/63/26/72/588632672.db2.gz CRDBPZFOEBBPPE-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2cccc(F)n2)[C@@H]1C ZINC000851812256 588632673 /nfs/dbraw/zinc/63/26/73/588632673.db2.gz CRDBPZFOEBBPPE-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC(F)F)C(C)(C)C ZINC000851855062 588635441 /nfs/dbraw/zinc/63/54/41/588635441.db2.gz YWVBZTFPIJEPAY-ZETCQYMHSA-N 1 2 239.262 1.403 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC(OC)OC)C(C)(C)C ZINC000851854551 588635528 /nfs/dbraw/zinc/63/55/28/588635528.db2.gz TXELNFHMWDRPIV-JTQLQIEISA-N 1 2 247.335 1.173 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC(OC)OC)C(C)(C)C ZINC000851854552 588635558 /nfs/dbraw/zinc/63/55/58/588635558.db2.gz TXELNFHMWDRPIV-SNVBAGLBSA-N 1 2 247.335 1.173 20 0 BDADLO CC1(C)OC[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000851878290 588638864 /nfs/dbraw/zinc/63/88/64/588638864.db2.gz AEQVIUKYUVBUPH-BDAKNGLRSA-N 1 2 235.274 1.867 20 0 BDADLO CC1(C)OC[C@@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000851878290 588638865 /nfs/dbraw/zinc/63/88/65/588638865.db2.gz AEQVIUKYUVBUPH-BDAKNGLRSA-N 1 2 235.274 1.867 20 0 BDADLO C[C@@H]([NH2+]Cc1cnon1)c1ccccn1 ZINC000851921454 588643788 /nfs/dbraw/zinc/64/37/88/588643788.db2.gz RNUCIZMLFSPKJC-MRVPVSSYSA-N 1 2 204.233 1.315 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1cncc(F)c1 ZINC000851920928 588644013 /nfs/dbraw/zinc/64/40/13/588644013.db2.gz HFQPDDNIEYJWPA-ZETCQYMHSA-N 1 2 222.223 1.455 20 0 BDADLO Cc1noc([C@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)n1 ZINC000851928377 588644753 /nfs/dbraw/zinc/64/47/53/588644753.db2.gz LNEWIYQXIQJWNX-IONNQARKSA-N 1 2 241.291 1.180 20 0 BDADLO CCn1ncc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)n1 ZINC000851967178 588648810 /nfs/dbraw/zinc/64/88/10/588648810.db2.gz WDCKCSKKPHMQJJ-UWVGGRQHSA-N 1 2 238.335 1.032 20 0 BDADLO C[C@H]1CC[N@H+](CCOC(F)F)CC[S@]1=O ZINC000851985630 588651981 /nfs/dbraw/zinc/65/19/81/588651981.db2.gz OLMSRWNZRQQIQG-VXJOIVPMSA-N 1 2 241.303 1.069 20 0 BDADLO C[C@H]1CC[N@@H+](CCOC(F)F)CC[S@]1=O ZINC000851985630 588651982 /nfs/dbraw/zinc/65/19/82/588651982.db2.gz OLMSRWNZRQQIQG-VXJOIVPMSA-N 1 2 241.303 1.069 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnon1 ZINC000851998527 588653292 /nfs/dbraw/zinc/65/32/92/588653292.db2.gz UUDBNKOZGIBQHD-SVRRBLITSA-N 1 2 235.209 1.842 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnon1 ZINC000851998527 588653293 /nfs/dbraw/zinc/65/32/93/588653293.db2.gz UUDBNKOZGIBQHD-SVRRBLITSA-N 1 2 235.209 1.842 20 0 BDADLO CC[N@H+](CC=C(Cl)Cl)[C@@H]1CCNC1=O ZINC000852012491 588655261 /nfs/dbraw/zinc/65/52/61/588655261.db2.gz KEPYCEPNCIQABG-SSDOTTSWSA-N 1 2 237.130 1.516 20 0 BDADLO CC[N@@H+](CC=C(Cl)Cl)[C@@H]1CCNC1=O ZINC000852012491 588655262 /nfs/dbraw/zinc/65/52/62/588655262.db2.gz KEPYCEPNCIQABG-SSDOTTSWSA-N 1 2 237.130 1.516 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2CCOC[C@@H]2CC(F)F)O1 ZINC000852047031 588657525 /nfs/dbraw/zinc/65/75/25/588657525.db2.gz UCYAQQVFNUBXEE-IUCAKERBSA-N 1 2 249.257 1.048 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2CCOC[C@@H]2CC(F)F)O1 ZINC000852047031 588657526 /nfs/dbraw/zinc/65/75/26/588657526.db2.gz UCYAQQVFNUBXEE-IUCAKERBSA-N 1 2 249.257 1.048 20 0 BDADLO CO[C@H]1CC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC000852053966 588657943 /nfs/dbraw/zinc/65/79/43/588657943.db2.gz LLAHMSLYVPYROX-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO CO[C@H]1CC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC000852053966 588657944 /nfs/dbraw/zinc/65/79/44/588657944.db2.gz LLAHMSLYVPYROX-ZJUUUORDSA-N 1 2 235.274 1.521 20 0 BDADLO Clc1cnc(CN2CCn3c[nH+]cc3C2)cn1 ZINC000852067326 588658819 /nfs/dbraw/zinc/65/88/19/588658819.db2.gz XQLLBPIKRLLDKA-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CC(C)(C)C(=O)CCN1CCn2c[nH+]cc2C1 ZINC000852065326 588658874 /nfs/dbraw/zinc/65/88/74/588658874.db2.gz IIBBMVPDLYKLFX-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO CCC[N@H+](CC=C(Cl)Cl)CC(N)=O ZINC000852080443 588660572 /nfs/dbraw/zinc/66/05/72/588660572.db2.gz ZKNUXMSCMOPPGL-UHFFFAOYSA-N 1 2 225.119 1.503 20 0 BDADLO CCC[N@@H+](CC=C(Cl)Cl)CC(N)=O ZINC000852080443 588660573 /nfs/dbraw/zinc/66/05/73/588660573.db2.gz ZKNUXMSCMOPPGL-UHFFFAOYSA-N 1 2 225.119 1.503 20 0 BDADLO CC1(C)CC(NC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000852364012 588679837 /nfs/dbraw/zinc/67/98/37/588679837.db2.gz VKPFEPWSAMCCBW-SNVBAGLBSA-N 1 2 248.330 1.816 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1C=CCC1 ZINC000852371239 588680291 /nfs/dbraw/zinc/68/02/91/588680291.db2.gz DIMHLNUNHMQWAO-QWRGUYRKSA-N 1 2 248.330 1.982 20 0 BDADLO COCC[N@H+](CCF)Cc1cnc(C)s1 ZINC000852481001 588684083 /nfs/dbraw/zinc/68/40/83/588684083.db2.gz FPHFHIRAYKOYSF-UHFFFAOYSA-N 1 2 232.324 1.869 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnc(C)s1 ZINC000852481001 588684084 /nfs/dbraw/zinc/68/40/84/588684084.db2.gz FPHFHIRAYKOYSF-UHFFFAOYSA-N 1 2 232.324 1.869 20 0 BDADLO C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1COCCO1 ZINC000852496434 588686086 /nfs/dbraw/zinc/68/60/86/588686086.db2.gz QHVVSZUYEPMULJ-USYJTPIQSA-N 1 2 240.130 1.653 20 0 BDADLO C[N@H+](C/C(Cl)=C/Cl)C[C@@H]1COCCO1 ZINC000852496434 588686087 /nfs/dbraw/zinc/68/60/87/588686087.db2.gz QHVVSZUYEPMULJ-USYJTPIQSA-N 1 2 240.130 1.653 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1C=CCC1 ZINC000852511949 588687534 /nfs/dbraw/zinc/68/75/34/588687534.db2.gz VEDAXMLNNGTYOA-GFCCVEGCSA-N 1 2 248.330 1.633 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1cc(C)on1 ZINC000852567757 588690835 /nfs/dbraw/zinc/69/08/35/588690835.db2.gz TUGMEALYMWUZLU-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1cc(C)on1 ZINC000852567757 588690836 /nfs/dbraw/zinc/69/08/36/588690836.db2.gz TUGMEALYMWUZLU-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000852587488 588692286 /nfs/dbraw/zinc/69/22/86/588692286.db2.gz ZCTRXRBKKHQIOH-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000852587488 588692287 /nfs/dbraw/zinc/69/22/87/588692287.db2.gz ZCTRXRBKKHQIOH-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cscn2)C1 ZINC000852693714 588696475 /nfs/dbraw/zinc/69/64/75/588696475.db2.gz FWMKDXBJCJKKTF-WAAGHKOSSA-N 1 2 240.328 1.527 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cscn2)C1 ZINC000852693714 588696476 /nfs/dbraw/zinc/69/64/76/588696476.db2.gz FWMKDXBJCJKKTF-WAAGHKOSSA-N 1 2 240.328 1.527 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000852785043 588701299 /nfs/dbraw/zinc/70/12/99/588701299.db2.gz XWECBERPOSSWJV-GZMMTYOYSA-N 1 2 249.257 1.048 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](C[C@@H]2CCC(=O)O2)CCO1 ZINC000852785043 588701300 /nfs/dbraw/zinc/70/13/00/588701300.db2.gz XWECBERPOSSWJV-GZMMTYOYSA-N 1 2 249.257 1.048 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCC(=O)C2CC2)CCO1 ZINC000852784472 588702209 /nfs/dbraw/zinc/70/22/09/588702209.db2.gz MJRYLJFNRDVZNJ-GFCCVEGCSA-N 1 2 247.285 1.712 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCC(=O)C2CC2)CCO1 ZINC000852784472 588702210 /nfs/dbraw/zinc/70/22/10/588702210.db2.gz MJRYLJFNRDVZNJ-GFCCVEGCSA-N 1 2 247.285 1.712 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cnn(C2CC2)c1 ZINC000860576573 589107202 /nfs/dbraw/zinc/10/72/02/589107202.db2.gz XGRKTQDRTFKDSJ-UHFFFAOYSA-N 1 2 246.270 1.309 20 0 BDADLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCC[NH+]1CCC1 ZINC000861388745 589163206 /nfs/dbraw/zinc/16/32/06/589163206.db2.gz OHCGCOZLKDUDEV-PWSUYJOCSA-N 1 2 239.315 1.241 20 0 BDADLO CS/C=C/C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861760948 589176866 /nfs/dbraw/zinc/17/68/66/589176866.db2.gz SBOMAGPDQYCLDP-HWKANZROSA-N 1 2 223.301 1.171 20 0 BDADLO CS/C=C/C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861760948 589176867 /nfs/dbraw/zinc/17/68/67/589176867.db2.gz SBOMAGPDQYCLDP-HWKANZROSA-N 1 2 223.301 1.171 20 0 BDADLO O=C(/C=C\[C@H]1CCCO1)N1CCc2[nH]c[nH+]c2C1 ZINC000861761871 589177329 /nfs/dbraw/zinc/17/73/29/589177329.db2.gz ASZOUJRANZRQGH-UMBAGQNISA-N 1 2 247.298 1.030 20 0 BDADLO O=C(/C=C\[C@H]1CCCO1)N1CCc2[nH+]c[nH]c2C1 ZINC000861761871 589177330 /nfs/dbraw/zinc/17/73/30/589177330.db2.gz ASZOUJRANZRQGH-UMBAGQNISA-N 1 2 247.298 1.030 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cnc(C2CC2)o1 ZINC000862220838 589195000 /nfs/dbraw/zinc/19/50/00/589195000.db2.gz RBSBHOIQLWHCPY-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cnc(C2CC2)o1 ZINC000862220838 589195002 /nfs/dbraw/zinc/19/50/02/589195002.db2.gz RBSBHOIQLWHCPY-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCCCNC2=O)o1 ZINC000862237269 589196007 /nfs/dbraw/zinc/19/60/07/589196007.db2.gz KZVUDKWTNYBBTI-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H]2CCCCNC2=O)o1 ZINC000862237269 589196009 /nfs/dbraw/zinc/19/60/09/589196009.db2.gz KZVUDKWTNYBBTI-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1c(F)nccc1C[N@H+](C)Cc1cnccn1 ZINC000862235001 589196141 /nfs/dbraw/zinc/19/61/41/589196141.db2.gz JVAPYBQOBSFHEG-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1c(F)nccc1C[N@@H+](C)Cc1cnccn1 ZINC000862235001 589196142 /nfs/dbraw/zinc/19/61/42/589196142.db2.gz JVAPYBQOBSFHEG-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2ccoc2)CCO1 ZINC000862551840 589220807 /nfs/dbraw/zinc/22/08/07/589220807.db2.gz QGCVJJNZPGPHFD-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2ccoc2)CCO1 ZINC000862551840 589220808 /nfs/dbraw/zinc/22/08/08/589220808.db2.gz QGCVJJNZPGPHFD-GFCCVEGCSA-N 1 2 225.288 1.517 20 0 BDADLO O=C1SCCN1C[NH+](C1CC1)C1CC1 ZINC000863303954 589277640 /nfs/dbraw/zinc/27/76/40/589277640.db2.gz IPGMKJALGUXPFP-UHFFFAOYSA-N 1 2 212.318 1.740 20 0 BDADLO CCOC1CC(O[NH+]=C(N)COC(C)C)C1 ZINC000863455243 589289118 /nfs/dbraw/zinc/28/91/18/589289118.db2.gz AHUXEDCEDVGHKQ-UHFFFAOYSA-N 1 2 230.308 1.477 20 0 BDADLO COC(=O)CCCCO[NH+]=C(N)COC(C)C ZINC000863455354 589289242 /nfs/dbraw/zinc/28/92/42/589289242.db2.gz FOMGSLKQKPEKJZ-UHFFFAOYSA-N 1 2 246.307 1.253 20 0 BDADLO C[C@H]1C[C@H]1CON=C(N)C[NH+]1CCSCC1 ZINC000863467602 589290907 /nfs/dbraw/zinc/29/09/07/589290907.db2.gz CIJKLIRMIHYTAE-UWVGGRQHSA-N 1 2 243.376 1.190 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000863578235 589301028 /nfs/dbraw/zinc/30/10/28/589301028.db2.gz UJOBDJGFRFYQDA-SNVBAGLBSA-N 1 2 248.248 1.889 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)c2ccncc2)n1 ZINC000863656877 589308145 /nfs/dbraw/zinc/30/81/45/589308145.db2.gz UHZAZUWRVBGVRD-JTQLQIEISA-N 1 2 246.314 1.920 20 0 BDADLO CC(C)[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000864074664 589339935 /nfs/dbraw/zinc/33/99/35/589339935.db2.gz ZSQJZEKPAZXGEM-LBPRGKRZSA-N 1 2 221.304 1.503 20 0 BDADLO CC(C)[C@H](NC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000864074664 589339937 /nfs/dbraw/zinc/33/99/37/589339937.db2.gz ZSQJZEKPAZXGEM-LBPRGKRZSA-N 1 2 221.304 1.503 20 0 BDADLO CC/C=C(\F)C(=O)N(C)Cc1[nH+]ccn1C ZINC000864583589 589380154 /nfs/dbraw/zinc/38/01/54/589380154.db2.gz VKBNUWUUTPKFDM-UITAMQMPSA-N 1 2 225.267 1.642 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCCCCCC1 ZINC000864666055 589388742 /nfs/dbraw/zinc/38/87/42/589388742.db2.gz PIZAIVLTOBUSRT-NSHDSACASA-N 1 2 237.303 1.236 20 0 BDADLO CN(C(=O)Cc1cn2cc(F)ccc2[nH+]1)C1CC1 ZINC000864837186 589397457 /nfs/dbraw/zinc/39/74/57/589397457.db2.gz SZNQCXRFKVIPSM-UHFFFAOYSA-N 1 2 247.273 1.637 20 0 BDADLO CC(C)N(CC1CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864854756 589397961 /nfs/dbraw/zinc/39/79/61/589397961.db2.gz DOVNPKCVHZOMBR-NSHDSACASA-N 1 2 237.303 1.090 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864885271 589399781 /nfs/dbraw/zinc/39/97/81/589399781.db2.gz VPKBSVDWPOGNRD-SGRPLGENSA-N 1 2 225.267 1.651 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000864883352 589400002 /nfs/dbraw/zinc/40/00/02/589400002.db2.gz AAMNVUYFNIKABT-ZOLYEBIHSA-N 1 2 247.342 1.680 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865041595 589406136 /nfs/dbraw/zinc/40/61/36/589406136.db2.gz BXJSWRFQLVUJHG-MWLCHTKSSA-N 1 2 237.303 1.092 20 0 BDADLO COC/C=C/C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865139993 589410567 /nfs/dbraw/zinc/41/05/67/589410567.db2.gz AVFKKPOYVCZJFT-TZNOJPMFSA-N 1 2 249.314 1.318 20 0 BDADLO COC/C=C/C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865159019 589412125 /nfs/dbraw/zinc/41/21/25/589412125.db2.gz NUEDQAQKURMCFJ-OGOUPESXSA-N 1 2 249.314 1.249 20 0 BDADLO CCN(C)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374897 589428368 /nfs/dbraw/zinc/42/83/68/589428368.db2.gz ABEMCTDXQKIWBY-UHFFFAOYSA-N 1 2 223.320 1.659 20 0 BDADLO CCCCOC(=O)CSCc1[nH+]ccn1C ZINC000865376738 589428788 /nfs/dbraw/zinc/42/87/88/589428788.db2.gz BPBAFQGXSBHULX-UHFFFAOYSA-N 1 2 242.344 1.997 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865413046 589434100 /nfs/dbraw/zinc/43/41/00/589434100.db2.gz WPCUWEORKAYFNS-UHFFFAOYSA-N 1 2 231.303 1.539 20 0 BDADLO c1csc(CNCc2cn(C3CC3)c[nH+]2)n1 ZINC000865420018 589434909 /nfs/dbraw/zinc/43/49/09/589434909.db2.gz HATBAEXSOXVJLI-UHFFFAOYSA-N 1 2 234.328 1.964 20 0 BDADLO CC(C)Cc1cc(NCCn2cncn2)nc[nH+]1 ZINC000865439278 589436272 /nfs/dbraw/zinc/43/62/72/589436272.db2.gz REOULUUYCGXGKJ-UHFFFAOYSA-N 1 2 246.318 1.379 20 0 BDADLO OCCn1ccc(NCc2cn(C3CC3)c[nH+]2)n1 ZINC000865493526 589440839 /nfs/dbraw/zinc/44/08/39/589440839.db2.gz LHBLCAUOENFEPZ-UHFFFAOYSA-N 1 2 247.302 1.019 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H](CCO)C2CC2)[nH+]c1 ZINC000865551264 589446052 /nfs/dbraw/zinc/44/60/52/589446052.db2.gz AXJBNZFAXLNVQU-CABZTGNLSA-N 1 2 236.315 1.708 20 0 BDADLO CC/C=C(\F)C(=O)N1CC[NH+](CCOC)CC1 ZINC000865787547 589461988 /nfs/dbraw/zinc/46/19/88/589461988.db2.gz PUNFOMGXTDXFLE-WCIBSUBMSA-N 1 2 244.310 1.040 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865859406 589465593 /nfs/dbraw/zinc/46/55/93/589465593.db2.gz NINIVIUIQJVBLH-NEPJUHHUSA-N 1 2 221.304 1.519 20 0 BDADLO C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@H]2C)[nH+]c1 ZINC000865861216 589465626 /nfs/dbraw/zinc/46/56/26/589465626.db2.gz KYLLHXYTFNIYBV-FXPVBKGRSA-N 1 2 222.288 1.094 20 0 BDADLO C[C@@H](O)c1ccc(NC[C@]2(C)CCC(=O)N2)[nH+]c1 ZINC000865866143 589465869 /nfs/dbraw/zinc/46/58/69/589465869.db2.gz GDHCFQNPCQWKSG-RNCFNFMXSA-N 1 2 249.314 1.216 20 0 BDADLO CC(C)c1nc(N[C@H]2C[C@@H](CO)C2)cc[nH+]1 ZINC000866005628 589472414 /nfs/dbraw/zinc/47/24/14/589472414.db2.gz ZAIMBXKJIJOYPY-AOOOYVTPSA-N 1 2 221.304 1.783 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCCC[C@@H]1F ZINC000866045980 589473942 /nfs/dbraw/zinc/47/39/42/589473942.db2.gz QEFKBXNXQLUOMU-JGVFFNPUSA-N 1 2 240.282 1.760 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCCC[C@@H]1F ZINC000866045980 589473943 /nfs/dbraw/zinc/47/39/43/589473943.db2.gz QEFKBXNXQLUOMU-JGVFFNPUSA-N 1 2 240.282 1.760 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@H](SC)C1 ZINC000866103069 589476372 /nfs/dbraw/zinc/47/63/72/589476372.db2.gz WYCWNHKOESXLQW-LJGSYFOKSA-N 1 2 240.332 1.373 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@H](SC)C1 ZINC000866103069 589476373 /nfs/dbraw/zinc/47/63/73/589476373.db2.gz WYCWNHKOESXLQW-LJGSYFOKSA-N 1 2 240.332 1.373 20 0 BDADLO Cc1nc(N2C[C@@H](O)CC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000866226848 589481731 /nfs/dbraw/zinc/48/17/31/589481731.db2.gz PBNMYVRWWOJMPJ-LBPRGKRZSA-N 1 2 249.358 1.999 20 0 BDADLO COC[C@@H](C)OC(=O)N(C)Cc1[nH+]ccn1C ZINC000866424590 589492448 /nfs/dbraw/zinc/49/24/48/589492448.db2.gz LGMWCBIVKMHZFQ-SECBINFHSA-N 1 2 241.291 1.023 20 0 BDADLO CC/C=C(/F)C(=O)NC1C[NH+](C(C)C)C1 ZINC000867523452 589524295 /nfs/dbraw/zinc/52/42/95/589524295.db2.gz CCZNUDIYFLBDRU-BJMVGYQFSA-N 1 2 214.284 1.459 20 0 BDADLO COCC1=CCN(c2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000122031134 589550417 /nfs/dbraw/zinc/55/04/17/589550417.db2.gz PQEVXIXRFZPTQS-NSHDSACASA-N 1 2 248.326 1.918 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000868427068 589557977 /nfs/dbraw/zinc/55/79/77/589557977.db2.gz PBGDPPMAFHUUSV-NXEZZACHSA-N 1 2 247.342 1.977 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000868427068 589557979 /nfs/dbraw/zinc/55/79/79/589557979.db2.gz PBGDPPMAFHUUSV-NXEZZACHSA-N 1 2 247.342 1.977 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000868413391 589558020 /nfs/dbraw/zinc/55/80/20/589558020.db2.gz SHIFDDURZFYXBW-SASUGWTJSA-N 1 2 233.315 1.328 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccc[nH]1 ZINC000868450887 589558739 /nfs/dbraw/zinc/55/87/39/589558739.db2.gz LUBWSKYKOBSOEM-SECBINFHSA-N 1 2 247.302 1.640 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCCC12CC2 ZINC000868621434 589568641 /nfs/dbraw/zinc/56/86/41/589568641.db2.gz HWWFYEKUTICYHK-LLVKDONJSA-N 1 2 248.330 1.552 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@H](C)O1 ZINC000868621506 589568838 /nfs/dbraw/zinc/56/88/38/589568838.db2.gz WGPLIWPNBSSVGK-VPOLOUISSA-N 1 2 249.314 1.258 20 0 BDADLO CC(C)(F)CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000868658271 589570438 /nfs/dbraw/zinc/57/04/38/589570438.db2.gz RXOZANDEPLWBQJ-MRVPVSSYSA-N 1 2 240.282 1.375 20 0 BDADLO C/C=C/C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000868676508 589572665 /nfs/dbraw/zinc/57/26/65/589572665.db2.gz YLUSHVGIJXRAFT-OTQAPUNGSA-N 1 2 207.277 1.656 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C=CCC1 ZINC000868767192 589575834 /nfs/dbraw/zinc/57/58/34/589575834.db2.gz DEMCXPAJQKYOQS-SECBINFHSA-N 1 2 220.276 1.270 20 0 BDADLO COCC(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122285104 589576755 /nfs/dbraw/zinc/57/67/55/589576755.db2.gz WPMKNEAWOOOAJN-UHFFFAOYSA-N 1 2 225.244 1.088 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000868964106 589583819 /nfs/dbraw/zinc/58/38/19/589583819.db2.gz VGCGLSWAEARMIH-FXPVBKGRSA-N 1 2 237.303 1.090 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000869101774 589589296 /nfs/dbraw/zinc/58/92/96/589589296.db2.gz QKADRUJUBJDEDA-HBAUCTPOSA-N 1 2 237.278 1.578 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000869223664 589592962 /nfs/dbraw/zinc/59/29/62/589592962.db2.gz JMAIUEIRCYGSJN-QTKMDUPCSA-N 1 2 233.315 1.660 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000869223664 589592964 /nfs/dbraw/zinc/59/29/64/589592964.db2.gz JMAIUEIRCYGSJN-QTKMDUPCSA-N 1 2 233.315 1.660 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000869223363 589593084 /nfs/dbraw/zinc/59/30/84/589593084.db2.gz HAIOHIQVWSHWDD-GWCFXTLKSA-N 1 2 233.315 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000869223363 589593085 /nfs/dbraw/zinc/59/30/85/589593085.db2.gz HAIOHIQVWSHWDD-GWCFXTLKSA-N 1 2 233.315 1.948 20 0 BDADLO CC/C=C(/F)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000869301872 589597027 /nfs/dbraw/zinc/59/70/27/589597027.db2.gz MSRFIJONILAHFC-MOIHINDBSA-N 1 2 225.267 1.861 20 0 BDADLO CC/C=C(\F)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000869301871 589597161 /nfs/dbraw/zinc/59/71/61/589597161.db2.gz MSRFIJONILAHFC-HXOPTJOXSA-N 1 2 225.267 1.861 20 0 BDADLO Cc1nccnc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000869410477 589604297 /nfs/dbraw/zinc/60/42/97/589604297.db2.gz LJMAWENYYHBUFT-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1nccnc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000869410477 589604298 /nfs/dbraw/zinc/60/42/98/589604298.db2.gz LJMAWENYYHBUFT-LBPRGKRZSA-N 1 2 249.314 1.313 20 0 BDADLO C[C@]12CCCC[C@H]1CN2C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869489149 589608962 /nfs/dbraw/zinc/60/89/62/589608962.db2.gz HMBYYXZBRZCRHD-NDMJEZRESA-N 1 2 249.314 1.234 20 0 BDADLO CCOC(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000870329041 589658832 /nfs/dbraw/zinc/65/88/32/589658832.db2.gz FAKFYEOJORRXLT-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO CCOC(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000870329041 589658834 /nfs/dbraw/zinc/65/88/34/589658834.db2.gz FAKFYEOJORRXLT-JTQLQIEISA-N 1 2 247.310 1.389 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@H]2CCCS2)c[nH+]1 ZINC000871030727 589716270 /nfs/dbraw/zinc/71/62/70/589716270.db2.gz NVDJHYMGZLEBKD-SECBINFHSA-N 1 2 239.344 1.734 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871518800 589763780 /nfs/dbraw/zinc/76/37/80/589763780.db2.gz GOSIDUJSDBKGBO-BETUJISGSA-N 1 2 245.326 1.698 20 0 BDADLO CCOC(=O)CC1=C(C)SC2=[NH+]CCN21 ZINC000871600276 589772522 /nfs/dbraw/zinc/77/25/22/589772522.db2.gz NKEBIZAVZZJCSZ-UHFFFAOYSA-N 1 2 226.301 1.590 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OC1CC(C)(C)C1 ZINC000871735677 589798395 /nfs/dbraw/zinc/79/83/95/589798395.db2.gz UTBAXLGGCJTEDD-ZETCQYMHSA-N 1 2 200.282 1.708 20 0 BDADLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)Cc1cccnc1 ZINC000871737311 589801948 /nfs/dbraw/zinc/80/19/48/589801948.db2.gz FCFAKDLPCLEGEN-JQWIXIFHSA-N 1 2 249.314 1.548 20 0 BDADLO CC1(C)CC(O[NH+]=C(N)[C@@H]2CCCO2)C1 ZINC000871749554 589805266 /nfs/dbraw/zinc/80/52/66/589805266.db2.gz YVRPPJHLGRRKPB-VIFPVBQESA-N 1 2 212.293 1.852 20 0 BDADLO NC(COC1CCC1)=[NH+]OC1CCCC1 ZINC000871776597 589813736 /nfs/dbraw/zinc/81/37/36/589813736.db2.gz XEURJBKLOWXTKU-UHFFFAOYSA-N 1 2 212.293 1.997 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)C(=O)OC ZINC000871917429 589832444 /nfs/dbraw/zinc/83/24/44/589832444.db2.gz YUMSAFAFEIADRM-CIUDSAMLSA-N 1 2 217.334 1.422 20 0 BDADLO CC(C)(C)c1cn(CCS(C)(=O)=O)c[nH+]1 ZINC000871990201 589854499 /nfs/dbraw/zinc/85/44/99/589854499.db2.gz YUANZBBSEGUKPD-UHFFFAOYSA-N 1 2 230.333 1.225 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000872134948 589878011 /nfs/dbraw/zinc/87/80/11/589878011.db2.gz AJPMNLAPTRMXIC-ZETCQYMHSA-N 1 2 236.250 1.763 20 0 BDADLO Cc1nonc1C[NH2+][C@H]1CCCn2nccc21 ZINC000872134265 589878409 /nfs/dbraw/zinc/87/84/09/589878409.db2.gz BITMKLDRQFGOBQ-VIFPVBQESA-N 1 2 233.275 1.199 20 0 BDADLO Cc1nonc1CN[C@H](c1[nH+]ccn1C)C1CC1 ZINC000872135245 589878601 /nfs/dbraw/zinc/87/86/01/589878601.db2.gz CUGRLLKSSTYDSH-NSHDSACASA-N 1 2 247.302 1.352 20 0 BDADLO C/C=C/C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872295724 589907400 /nfs/dbraw/zinc/90/74/00/589907400.db2.gz HSOHUILYZSCCFN-HWKANZROSA-N 1 2 231.299 1.436 20 0 BDADLO CN1CCN(C(=O)C2(C)CC2)Cc2ccc[nH+]c21 ZINC000872305561 589908344 /nfs/dbraw/zinc/90/83/44/589908344.db2.gz WSYZUBBAHBXILO-UHFFFAOYSA-N 1 2 245.326 1.660 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872310917 589909367 /nfs/dbraw/zinc/90/93/67/589909367.db2.gz RBZFEPRDXBWSGJ-MFKMUULPSA-N 1 2 241.331 1.629 20 0 BDADLO O=C1N(C[N@H+]2CC[C@H](F)C2)C[C@H]2CCCCN12 ZINC000872616109 589956851 /nfs/dbraw/zinc/95/68/51/589956851.db2.gz ZGBLDZMBKMYUBV-WDEREUQCSA-N 1 2 241.310 1.278 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@H](F)C2)C[C@H]2CCCCN12 ZINC000872616109 589956853 /nfs/dbraw/zinc/95/68/53/589956853.db2.gz ZGBLDZMBKMYUBV-WDEREUQCSA-N 1 2 241.310 1.278 20 0 BDADLO CSC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000872628237 589957214 /nfs/dbraw/zinc/95/72/14/589957214.db2.gz ROLZROPDQWTAMW-UHFFFAOYSA-N 1 2 244.385 1.695 20 0 BDADLO CCc1cc(NCCC[C@@H]2CCOC2=O)nc[nH+]1 ZINC000872701496 589963205 /nfs/dbraw/zinc/96/32/05/589963205.db2.gz ATBROIGAHZJQHT-SNVBAGLBSA-N 1 2 249.314 1.794 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC23CCC3)nc[nH+]1 ZINC000872774682 589967746 /nfs/dbraw/zinc/96/77/46/589967746.db2.gz HJJDFZCZOYLYSR-UWVGGRQHSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC23CCC3)[nH+]cn1 ZINC000872774682 589967748 /nfs/dbraw/zinc/96/77/48/589967748.db2.gz HJJDFZCZOYLYSR-UWVGGRQHSA-N 1 2 248.330 1.624 20 0 BDADLO Cn1ncc2c1nc(N[C@H]1CC13CCC3)[nH+]c2N ZINC000872775761 589968408 /nfs/dbraw/zinc/96/84/08/589968408.db2.gz ZTKXRRVYKYQTGO-QMMMGPOBSA-N 1 2 244.302 1.300 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)N[C@H]1CCn2cc[nH+]c21 ZINC000873026639 589979615 /nfs/dbraw/zinc/97/96/15/589979615.db2.gz JIQGZQYZTKUYAE-VHSXEESVSA-N 1 2 246.314 1.570 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CC12CCC2 ZINC000873031683 589980817 /nfs/dbraw/zinc/98/08/17/589980817.db2.gz XYFUSFQTQOYNLA-JTQLQIEISA-N 1 2 248.330 1.645 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2ccon2)c2ccccc21 ZINC000873136422 589986457 /nfs/dbraw/zinc/98/64/57/589986457.db2.gz ASFLKJWWCJHTGK-STQMWFEESA-N 1 2 230.267 1.943 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[nH]n1 ZINC000873155935 589988702 /nfs/dbraw/zinc/98/87/02/589988702.db2.gz INDCSUJBGXOHAX-DLOVCJGASA-N 1 2 221.304 1.457 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cc2cccnc2o1 ZINC000873197057 589992249 /nfs/dbraw/zinc/99/22/49/589992249.db2.gz YJEVHWCWWOVHCS-UHFFFAOYSA-N 1 2 244.254 1.809 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)[C@@H](C)[C@H](C)O1 ZINC000873207363 589994001 /nfs/dbraw/zinc/99/40/01/589994001.db2.gz AIYQARWZHMTALK-UTLUCORTSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)[C@@H](C)[C@H](C)O1 ZINC000873207363 589994002 /nfs/dbraw/zinc/99/40/02/589994002.db2.gz AIYQARWZHMTALK-UTLUCORTSA-N 1 2 236.319 1.057 20 0 BDADLO CC(C)=C(C)CC(=O)NC1=[NH+]CCS1 ZINC000873837608 590073809 /nfs/dbraw/zinc/07/38/09/590073809.db2.gz AQMQTMGURAEEFW-UHFFFAOYSA-N 1 2 212.318 1.952 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124693658 590075241 /nfs/dbraw/zinc/07/52/41/590075241.db2.gz BIJNTDMGHNRSMC-LBPRGKRZSA-N 1 2 229.320 1.177 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000124693658 590075245 /nfs/dbraw/zinc/07/52/45/590075245.db2.gz BIJNTDMGHNRSMC-LBPRGKRZSA-N 1 2 229.320 1.177 20 0 BDADLO CCONC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000873913377 590078622 /nfs/dbraw/zinc/07/86/22/590078622.db2.gz RXIMSTBTFDAWTB-UHFFFAOYSA-N 1 2 219.244 1.324 20 0 BDADLO CC1(C(=O)NCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000874010166 590084948 /nfs/dbraw/zinc/08/49/48/590084948.db2.gz GKJGHRBSVAFMMM-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO CCn1ccc(C(=O)NCc2[nH+]ccn2C)c1C ZINC000874346594 590105662 /nfs/dbraw/zinc/10/56/62/590105662.db2.gz WNXBRODLKKNUBW-UHFFFAOYSA-N 1 2 246.314 1.480 20 0 BDADLO CC(C)(C)c1nc(C(=O)NCc2[nH]cc[nH+]2)co1 ZINC000874457503 590112391 /nfs/dbraw/zinc/11/23/91/590112391.db2.gz OFSDCZMVWHDEKC-UHFFFAOYSA-N 1 2 248.286 1.625 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000874778273 590129871 /nfs/dbraw/zinc/12/98/71/590129871.db2.gz STNYUVPXGLEYRS-CABZTGNLSA-N 1 2 245.326 1.573 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000874778273 590129873 /nfs/dbraw/zinc/12/98/73/590129873.db2.gz STNYUVPXGLEYRS-CABZTGNLSA-N 1 2 245.326 1.573 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC12CCC2 ZINC000874780131 590131130 /nfs/dbraw/zinc/13/11/30/590131130.db2.gz HUXGJNVTTIZTQV-LLVKDONJSA-N 1 2 233.315 1.412 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC12CCC2 ZINC000874782706 590133307 /nfs/dbraw/zinc/13/33/07/590133307.db2.gz FJGXVUONQCSUPE-LLVKDONJSA-N 1 2 233.315 1.722 20 0 BDADLO C/C=C\C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874894421 590153542 /nfs/dbraw/zinc/15/35/42/590153542.db2.gz FQVQJRQFUBSRBS-ZRMMWKCHSA-N 1 2 248.301 1.875 20 0 BDADLO Cc1nocc1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000888726416 590197666 /nfs/dbraw/zinc/19/76/66/590197666.db2.gz DBXPPRRSPKDEHC-MRVPVSSYSA-N 1 2 247.258 1.446 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CCCOCC2)c1 ZINC000876618288 590222505 /nfs/dbraw/zinc/22/25/05/590222505.db2.gz PMTPNCKIZMROPY-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CCCOCC2)c1 ZINC000876618288 590222506 /nfs/dbraw/zinc/22/25/06/590222506.db2.gz PMTPNCKIZMROPY-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO COc1cnc(F)c(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000876690805 590231030 /nfs/dbraw/zinc/23/10/30/590231030.db2.gz RTEDIXIREHWZDM-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO COc1cnc(F)c(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC000876690805 590231031 /nfs/dbraw/zinc/23/10/31/590231031.db2.gz RTEDIXIREHWZDM-JTQLQIEISA-N 1 2 240.278 1.450 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000876815016 590245967 /nfs/dbraw/zinc/24/59/67/590245967.db2.gz MFFPYIRCQHXSEY-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000876815016 590245968 /nfs/dbraw/zinc/24/59/68/590245968.db2.gz MFFPYIRCQHXSEY-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO O=C1NCCC[C@@H]1[NH2+]Cc1nc(Cl)cs1 ZINC000876990969 590266302 /nfs/dbraw/zinc/26/63/02/590266302.db2.gz GEVSBLLVXVZZII-LURJTMIESA-N 1 2 245.735 1.165 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+]Cc2ncc(C)o2)o1 ZINC000877059580 590276068 /nfs/dbraw/zinc/27/60/68/590276068.db2.gz OSVNOPSPPVKHIB-SNVBAGLBSA-N 1 2 236.271 1.708 20 0 BDADLO CCCn1cc(C[N@H+]2CC=CCC2)nn1 ZINC000877168298 590295437 /nfs/dbraw/zinc/29/54/37/590295437.db2.gz SSYSUQUNGMFGLR-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCCn1cc(C[N@@H+]2CC=CCC2)nn1 ZINC000877168298 590295438 /nfs/dbraw/zinc/29/54/38/590295438.db2.gz SSYSUQUNGMFGLR-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CC(C)(C)SCC(=O)NCCc1[nH]cc[nH+]1 ZINC000126443407 590308387 /nfs/dbraw/zinc/30/83/87/590308387.db2.gz AMDXVRVQAOBQHW-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(Cl)cs2)CC[C@@H]1O ZINC000877432648 590326263 /nfs/dbraw/zinc/32/62/63/590326263.db2.gz DUSVKOONWCODOQ-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)CC[C@@H]1O ZINC000877432648 590326265 /nfs/dbraw/zinc/32/62/65/590326265.db2.gz DUSVKOONWCODOQ-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC000877469703 590334792 /nfs/dbraw/zinc/33/47/92/590334792.db2.gz SGUSDXBJNYJPAD-GARJFASQSA-N 1 2 231.336 1.587 20 0 BDADLO C[N@@H+](Cc1nc(Cl)cs1)C[C@H](O)C1CC1 ZINC000877526961 590347979 /nfs/dbraw/zinc/34/79/79/590347979.db2.gz HGQIKJWTQMBWJU-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1nc(Cl)cs1)C[C@H](O)C1CC1 ZINC000877526961 590347981 /nfs/dbraw/zinc/34/79/81/590347981.db2.gz HGQIKJWTQMBWJU-QMMMGPOBSA-N 1 2 246.763 1.999 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2cccc(F)c2N)C1 ZINC000877579765 590364903 /nfs/dbraw/zinc/36/49/03/590364903.db2.gz AWELECOHVIJXOE-UHFFFAOYSA-N 1 2 238.306 1.611 20 0 BDADLO O=S1(=O)CCC(C[N@H+]2CCC[C@@H](F)C2)CC1 ZINC000877617633 590374829 /nfs/dbraw/zinc/37/48/29/590374829.db2.gz YLAGSESWNHQHBB-LLVKDONJSA-N 1 2 249.351 1.245 20 0 BDADLO O=S1(=O)CCC(C[N@@H+]2CCC[C@@H](F)C2)CC1 ZINC000877617633 590374832 /nfs/dbraw/zinc/37/48/32/590374832.db2.gz YLAGSESWNHQHBB-LLVKDONJSA-N 1 2 249.351 1.245 20 0 BDADLO CN(C)c1ccc(F)cc1C[NH2+]Cc1ncc[nH]1 ZINC000877673757 590390490 /nfs/dbraw/zinc/39/04/90/590390490.db2.gz RDFTUTWHHMQMIZ-UHFFFAOYSA-N 1 2 248.305 1.905 20 0 BDADLO CC1([NH2+]Cc2cn(-c3ccccc3)nn2)COC1 ZINC000877691785 590392989 /nfs/dbraw/zinc/39/29/89/590392989.db2.gz WQBJIVPYTUHFLL-UHFFFAOYSA-N 1 2 244.298 1.146 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC000877748637 590413425 /nfs/dbraw/zinc/41/34/25/590413425.db2.gz ITPBAWZNNQQIPV-BDAKNGLRSA-N 1 2 247.747 1.329 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC000877748637 590413426 /nfs/dbraw/zinc/41/34/26/590413426.db2.gz ITPBAWZNNQQIPV-BDAKNGLRSA-N 1 2 247.747 1.329 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877754970 590417012 /nfs/dbraw/zinc/41/70/12/590417012.db2.gz ZBJQELNUSIEVAC-UHFFFAOYSA-N 1 2 237.347 1.701 20 0 BDADLO CCn1cc[nH+]c1CN1CC(OC(C)(C)C)C1 ZINC000877772154 590421949 /nfs/dbraw/zinc/42/19/49/590421949.db2.gz QKWHMUJSXOQBBT-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO Cc1[nH+]c[nH]c1[C@@H]1Nc2ccc(C)cc2C(=O)N1 ZINC000877860843 590433206 /nfs/dbraw/zinc/43/32/06/590433206.db2.gz BNKGEXPVNDLEEK-GFCCVEGCSA-N 1 2 242.282 1.881 20 0 BDADLO C[C@@H]1C[N@@H+](CCCOC(F)(F)F)CCO1 ZINC000877895260 590441881 /nfs/dbraw/zinc/44/18/81/590441881.db2.gz CKCOLVHPJXSCOF-MRVPVSSYSA-N 1 2 227.226 1.634 20 0 BDADLO C[C@@H]1C[N@H+](CCCOC(F)(F)F)CCO1 ZINC000877895260 590441879 /nfs/dbraw/zinc/44/18/79/590441879.db2.gz CKCOLVHPJXSCOF-MRVPVSSYSA-N 1 2 227.226 1.634 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1nccn1CC(F)F ZINC000877998663 590468844 /nfs/dbraw/zinc/46/88/44/590468844.db2.gz AVIQCFNNAWHUML-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1nccn1CC(F)F ZINC000877998663 590468846 /nfs/dbraw/zinc/46/88/46/590468846.db2.gz AVIQCFNNAWHUML-SECBINFHSA-N 1 2 245.273 1.105 20 0 BDADLO Cc1conc1C[N@@H+]1CCS[C@H](C)C1 ZINC000878056455 590484400 /nfs/dbraw/zinc/48/44/00/590484400.db2.gz WHDJZUDSUPNKNF-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1conc1C[N@H+]1CCS[C@H](C)C1 ZINC000878056455 590484402 /nfs/dbraw/zinc/48/44/02/590484402.db2.gz WHDJZUDSUPNKNF-SECBINFHSA-N 1 2 212.318 1.920 20 0 BDADLO CC(C)(C)SCCC[NH+]1CCS(=O)CC1 ZINC000878094553 590491546 /nfs/dbraw/zinc/49/15/46/590491546.db2.gz KRSGETRMNDFSKU-UHFFFAOYSA-N 1 2 249.445 1.973 20 0 BDADLO CC1(C)CCC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000878093862 590491944 /nfs/dbraw/zinc/49/19/44/590491944.db2.gz OONOOTXKAWEYHN-LLVKDONJSA-N 1 2 245.388 1.398 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1CC2(CCC2)C1 ZINC000878177277 590516105 /nfs/dbraw/zinc/51/61/05/590516105.db2.gz UNJBQDJTJKQXEQ-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1CC2(CCC2)C1 ZINC000878177277 590516107 /nfs/dbraw/zinc/51/61/07/590516107.db2.gz UNJBQDJTJKQXEQ-UHFFFAOYSA-N 1 2 220.320 1.817 20 0 BDADLO O=C1N=NC2C[N@H+](CC3CC4(CCC4)C3)CCN12 ZINC000878432418 590566429 /nfs/dbraw/zinc/56/64/29/590566429.db2.gz DMGDZMJFFXMHNJ-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO O=C1N=NC2C[N@@H+](CC3CC4(CCC4)C3)CCN12 ZINC000878432418 590566430 /nfs/dbraw/zinc/56/64/30/590566430.db2.gz DMGDZMJFFXMHNJ-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CC1CC3(CCC3)C1)C2 ZINC000878432418 590566431 /nfs/dbraw/zinc/56/64/31/590566431.db2.gz DMGDZMJFFXMHNJ-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CC1CC3(CCC3)C1)C2 ZINC000878432418 590566432 /nfs/dbraw/zinc/56/64/32/590566432.db2.gz DMGDZMJFFXMHNJ-UHFFFAOYSA-N 1 2 248.330 1.380 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000878482126 590576187 /nfs/dbraw/zinc/57/61/87/590576187.db2.gz KOGCIWPBQRMDGN-YGRLFVJLSA-N 1 2 248.326 1.368 20 0 BDADLO OC[C@@]12C[C@@H]1C[N@@H+](Cc1nc3c(o1)CCCC3)C2 ZINC000878482126 590576190 /nfs/dbraw/zinc/57/61/90/590576190.db2.gz KOGCIWPBQRMDGN-YGRLFVJLSA-N 1 2 248.326 1.368 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2nocc2C)CCO1 ZINC000878483747 590577076 /nfs/dbraw/zinc/57/70/76/590577076.db2.gz FPEGIVFQWXAHBV-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2nocc2C)CCO1 ZINC000878483747 590577079 /nfs/dbraw/zinc/57/70/79/590577079.db2.gz FPEGIVFQWXAHBV-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878545600 590590096 /nfs/dbraw/zinc/59/00/96/590590096.db2.gz BFTFROUGRPCTKC-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878545600 590590098 /nfs/dbraw/zinc/59/00/98/590590098.db2.gz BFTFROUGRPCTKC-WDEREUQCSA-N 1 2 241.331 1.581 20 0 BDADLO O=c1cc(C[N@@H+]2CCO[C@@H](C(F)F)C2)cc[nH]1 ZINC000878562327 590592839 /nfs/dbraw/zinc/59/28/39/590592839.db2.gz XUXPAHABQZCOPT-SECBINFHSA-N 1 2 244.241 1.253 20 0 BDADLO O=c1cc(C[N@H+]2CCO[C@@H](C(F)F)C2)cc[nH]1 ZINC000878562327 590592840 /nfs/dbraw/zinc/59/28/40/590592840.db2.gz XUXPAHABQZCOPT-SECBINFHSA-N 1 2 244.241 1.253 20 0 BDADLO FC(F)Cn1cc[nH+]c1CN1CC[C@H](F)C1 ZINC000878662531 590605321 /nfs/dbraw/zinc/60/53/21/590605321.db2.gz PZXFJUSDUNGXMI-QMMMGPOBSA-N 1 2 233.237 1.692 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000878705593 590613198 /nfs/dbraw/zinc/61/31/98/590613198.db2.gz BNCXMIPQFUVOQU-IUCAKERBSA-N 1 2 210.302 1.673 20 0 BDADLO Cc1conc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000878705593 590613199 /nfs/dbraw/zinc/61/31/99/590613199.db2.gz BNCXMIPQFUVOQU-IUCAKERBSA-N 1 2 210.302 1.673 20 0 BDADLO Cc1conc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000878727431 590617246 /nfs/dbraw/zinc/61/72/46/590617246.db2.gz XDDKPBBYCNBBHC-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO Cc1conc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000878727431 590617248 /nfs/dbraw/zinc/61/72/48/590617248.db2.gz XDDKPBBYCNBBHC-NSHDSACASA-N 1 2 247.302 1.412 20 0 BDADLO O=C(C[N@H+]1CCC=C(Cl)C1)NCC1CCC1 ZINC000878794133 590623975 /nfs/dbraw/zinc/62/39/75/590623975.db2.gz RZHDEWCQUSGZRO-UHFFFAOYSA-N 1 2 242.750 1.731 20 0 BDADLO O=C(C[N@@H+]1CCC=C(Cl)C1)NCC1CCC1 ZINC000878794133 590623976 /nfs/dbraw/zinc/62/39/76/590623976.db2.gz RZHDEWCQUSGZRO-UHFFFAOYSA-N 1 2 242.750 1.731 20 0 BDADLO CN1CC[C@H]([N@@H+]2CCC=C(Cl)C2)C1=O ZINC000878793802 590624329 /nfs/dbraw/zinc/62/43/29/590624329.db2.gz MIMHPVNROPPBBO-VIFPVBQESA-N 1 2 214.696 1.046 20 0 BDADLO CN1CC[C@H]([N@H+]2CCC=C(Cl)C2)C1=O ZINC000878793802 590624330 /nfs/dbraw/zinc/62/43/30/590624330.db2.gz MIMHPVNROPPBBO-VIFPVBQESA-N 1 2 214.696 1.046 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nocc2C)[C@@H](C)CO1 ZINC000878805811 590625222 /nfs/dbraw/zinc/62/52/22/590625222.db2.gz UABMSGDQVMLNEM-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nocc2C)[C@@H](C)CO1 ZINC000878805811 590625223 /nfs/dbraw/zinc/62/52/23/590625223.db2.gz UABMSGDQVMLNEM-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO O=C(COC1CC1)Nc1ccc2[nH+]ccn2c1 ZINC000878822641 590628052 /nfs/dbraw/zinc/62/80/52/590628052.db2.gz CNTIYHUALASFST-UHFFFAOYSA-N 1 2 231.255 1.452 20 0 BDADLO O=C(COC1CC1)NCCCNc1cccc[nH+]1 ZINC000878837026 590629382 /nfs/dbraw/zinc/62/93/82/590629382.db2.gz PUELEWKBRNYAJI-UHFFFAOYSA-N 1 2 249.314 1.179 20 0 BDADLO Cc1noc(C[N@H+](C)CC[C@H](O)C(C)C)n1 ZINC000878848317 590633144 /nfs/dbraw/zinc/63/31/44/590633144.db2.gz NUXQMETTXSLEDX-JTQLQIEISA-N 1 2 227.308 1.217 20 0 BDADLO Cc1noc(C[N@@H+](C)CC[C@H](O)C(C)C)n1 ZINC000878848317 590633142 /nfs/dbraw/zinc/63/31/42/590633142.db2.gz NUXQMETTXSLEDX-JTQLQIEISA-N 1 2 227.308 1.217 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CC2(CCC2)CO1 ZINC000878884648 590640795 /nfs/dbraw/zinc/64/07/95/590640795.db2.gz IAYGVWFYUGAVTE-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CC2(CCC2)CO1 ZINC000878884648 590640802 /nfs/dbraw/zinc/64/08/02/590640802.db2.gz IAYGVWFYUGAVTE-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CC2(CCC2)CO1 ZINC000878884648 590640807 /nfs/dbraw/zinc/64/08/07/590640807.db2.gz IAYGVWFYUGAVTE-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CC2(CCC2)CO1 ZINC000878884648 590640811 /nfs/dbraw/zinc/64/08/11/590640811.db2.gz IAYGVWFYUGAVTE-LBPRGKRZSA-N 1 2 235.331 1.801 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@H](O)C(C)C)o1 ZINC000878920957 590652756 /nfs/dbraw/zinc/65/27/56/590652756.db2.gz JNWXBUPEQMFLLX-JTQLQIEISA-N 1 2 227.308 1.217 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@H](O)C(C)C)o1 ZINC000878920957 590652759 /nfs/dbraw/zinc/65/27/59/590652759.db2.gz JNWXBUPEQMFLLX-JTQLQIEISA-N 1 2 227.308 1.217 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CCO1 ZINC000878968944 590662932 /nfs/dbraw/zinc/66/29/32/590662932.db2.gz GEWSMJGUDQSOGZ-XQHKEYJVSA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CCO1 ZINC000878968944 590662936 /nfs/dbraw/zinc/66/29/36/590662936.db2.gz GEWSMJGUDQSOGZ-XQHKEYJVSA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000878969019 590663564 /nfs/dbraw/zinc/66/35/64/590663564.db2.gz IGLAGMGETZSLJL-NEPJUHHUSA-N 1 2 243.347 1.496 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000878969019 590663566 /nfs/dbraw/zinc/66/35/66/590663566.db2.gz IGLAGMGETZSLJL-NEPJUHHUSA-N 1 2 243.347 1.496 20 0 BDADLO Cc1ccc(NC(=O)N2CC=CC2)c(N(C)C)[nH+]1 ZINC000879001963 590675409 /nfs/dbraw/zinc/67/54/09/590675409.db2.gz NVYGNNWJUAJIHY-UHFFFAOYSA-N 1 2 246.314 1.860 20 0 BDADLO C[C@@H](O)C1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000879459389 590774608 /nfs/dbraw/zinc/77/46/08/590774608.db2.gz LXUAGFSFNZFOHD-RKDXNWHRSA-N 1 2 241.360 1.692 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1COC(=O)C1 ZINC000879526496 590789211 /nfs/dbraw/zinc/78/92/11/590789211.db2.gz NVWQYJWVXIYTRY-VIFPVBQESA-N 1 2 249.270 1.135 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)o1 ZINC000879618417 590832725 /nfs/dbraw/zinc/83/27/25/590832725.db2.gz YHHLOEBHKQLWOG-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](O)CC(C)(C)C2)o1 ZINC000879618417 590832727 /nfs/dbraw/zinc/83/27/27/590832727.db2.gz YHHLOEBHKQLWOG-SECBINFHSA-N 1 2 239.319 1.225 20 0 BDADLO CC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879765927 590865566 /nfs/dbraw/zinc/86/55/66/590865566.db2.gz RZMKVXGJNIOZOE-QMMMGPOBSA-N 1 2 224.226 1.149 20 0 BDADLO CC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879765927 590865569 /nfs/dbraw/zinc/86/55/69/590865569.db2.gz RZMKVXGJNIOZOE-QMMMGPOBSA-N 1 2 224.226 1.149 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCSC ZINC000879982921 590902564 /nfs/dbraw/zinc/90/25/64/590902564.db2.gz PJKCPCRRIXPDMB-JTQLQIEISA-N 1 2 231.361 1.671 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCC[C@H](C)O ZINC000879983153 590902605 /nfs/dbraw/zinc/90/26/05/590902605.db2.gz VFKKFXIJTUKUTP-JQWIXIFHSA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCCF ZINC000879981803 590903399 /nfs/dbraw/zinc/90/33/99/590903399.db2.gz WYOFCYDFMBUSSN-SNVBAGLBSA-N 1 2 217.284 1.667 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879982665 590904051 /nfs/dbraw/zinc/90/40/51/590904051.db2.gz JYNMDVYUULCDAG-RYUDHWBXSA-N 1 2 243.347 1.469 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879982664 590904258 /nfs/dbraw/zinc/90/42/58/590904258.db2.gz JYNMDVYUULCDAG-NWDGAFQWSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](C(C)(C)O)C2)no1 ZINC000880148081 590946199 /nfs/dbraw/zinc/94/61/99/590946199.db2.gz QGFRYSXIAMRPPT-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](C(C)(C)O)C2)no1 ZINC000880148081 590946201 /nfs/dbraw/zinc/94/62/01/590946201.db2.gz QGFRYSXIAMRPPT-WCBMZHEXSA-N 1 2 239.319 1.532 20 0 BDADLO CCc1nnc(C[N@H+](C)C2(COC)CCC2)o1 ZINC000880187348 590954122 /nfs/dbraw/zinc/95/41/22/590954122.db2.gz IZUIZPDOAZEQJK-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2(COC)CCC2)o1 ZINC000880187348 590954126 /nfs/dbraw/zinc/95/41/26/590954126.db2.gz IZUIZPDOAZEQJK-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO C[C@H]1C[C@H](NC(=O)COC2CC2)c2[nH+]ccn21 ZINC000880226725 590962036 /nfs/dbraw/zinc/96/20/36/590962036.db2.gz BQCFVBJSNKRXGA-WPRPVWTQSA-N 1 2 235.287 1.184 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CF)C2)[nH]1 ZINC000880236680 590966596 /nfs/dbraw/zinc/96/65/96/590966596.db2.gz FJBIWKYRQHWLJJ-VIFPVBQESA-N 1 2 226.299 1.549 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](CF)C2)[nH]1 ZINC000880236680 590966598 /nfs/dbraw/zinc/96/65/98/590966598.db2.gz FJBIWKYRQHWLJJ-VIFPVBQESA-N 1 2 226.299 1.549 20 0 BDADLO CO[C@H](C)c1noc(C[NH+]2CCC(F)CC2)n1 ZINC000880241709 590975049 /nfs/dbraw/zinc/97/50/49/590975049.db2.gz HHWDLYSYKKEEFM-MRVPVSSYSA-N 1 2 243.282 1.711 20 0 BDADLO Cc1oncc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880366300 591012719 /nfs/dbraw/zinc/01/27/19/591012719.db2.gz DXUQLICXXFDYJI-UHFFFAOYSA-N 1 2 244.298 1.942 20 0 BDADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1nnnn1C ZINC000880378495 591018687 /nfs/dbraw/zinc/01/86/87/591018687.db2.gz VGVFKZUHZBQJPJ-MRVPVSSYSA-N 1 2 249.343 1.391 20 0 BDADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1nnnn1C ZINC000880378495 591018692 /nfs/dbraw/zinc/01/86/92/591018692.db2.gz VGVFKZUHZBQJPJ-MRVPVSSYSA-N 1 2 249.343 1.391 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880434358 591037241 /nfs/dbraw/zinc/03/72/41/591037241.db2.gz BVTMDLIQYNIIOU-UWVGGRQHSA-N 1 2 237.290 1.767 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880434358 591037244 /nfs/dbraw/zinc/03/72/44/591037244.db2.gz BVTMDLIQYNIIOU-UWVGGRQHSA-N 1 2 237.290 1.767 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000880483808 591057002 /nfs/dbraw/zinc/05/70/02/591057002.db2.gz JCJWXXLAOJVYKV-JTQLQIEISA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000880483808 591057006 /nfs/dbraw/zinc/05/70/06/591057006.db2.gz JCJWXXLAOJVYKV-JTQLQIEISA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@@H+]1Cc1cc(F)ccc1F ZINC000880485039 591058076 /nfs/dbraw/zinc/05/80/76/591058076.db2.gz CWKARVJKONOZSI-LLVKDONJSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@H]1C=CC[N@H+]1Cc1cc(F)ccc1F ZINC000880485039 591058083 /nfs/dbraw/zinc/05/80/83/591058083.db2.gz CWKARVJKONOZSI-LLVKDONJSA-N 1 2 225.238 1.698 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1C/C(Cl)=C\Cl ZINC000880489962 591067010 /nfs/dbraw/zinc/06/70/10/591067010.db2.gz ZRBKXTQVBNSCGZ-IPWDFOCMSA-N 1 2 208.088 1.538 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1C/C(Cl)=C\Cl ZINC000880489962 591067014 /nfs/dbraw/zinc/06/70/14/591067014.db2.gz ZRBKXTQVBNSCGZ-IPWDFOCMSA-N 1 2 208.088 1.538 20 0 BDADLO Cc1cc(C[N@@H+]2CC=C[C@@H]2CO)cc(Cl)n1 ZINC000880490821 591069570 /nfs/dbraw/zinc/06/95/70/591069570.db2.gz DLADOPSJEAEDRT-LLVKDONJSA-N 1 2 238.718 1.776 20 0 BDADLO Cc1cc(C[N@H+]2CC=C[C@@H]2CO)cc(Cl)n1 ZINC000880490821 591069577 /nfs/dbraw/zinc/06/95/77/591069577.db2.gz DLADOPSJEAEDRT-LLVKDONJSA-N 1 2 238.718 1.776 20 0 BDADLO CC(C)ONC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000880607928 591109214 /nfs/dbraw/zinc/10/92/14/591109214.db2.gz HHVGIPRNUPKUDU-UHFFFAOYSA-N 1 2 238.291 1.609 20 0 BDADLO c1cc(C[NH2+]Cc2nc3c(s2)CCC3)n[nH]1 ZINC000128915525 591176167 /nfs/dbraw/zinc/17/61/67/591176167.db2.gz WHNJJKDIBWBOGY-UHFFFAOYSA-N 1 2 234.328 1.645 20 0 BDADLO C=C/C=C\CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000881564199 591239153 /nfs/dbraw/zinc/23/91/53/591239153.db2.gz OPMGKNXJPSDHLP-PLNGDYQASA-N 1 2 205.261 1.580 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000881566830 591241276 /nfs/dbraw/zinc/24/12/76/591241276.db2.gz HETZDRWIZWKVDJ-BYCRGOAPSA-N 1 2 245.326 1.763 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000881566830 591241277 /nfs/dbraw/zinc/24/12/77/591241277.db2.gz HETZDRWIZWKVDJ-BYCRGOAPSA-N 1 2 245.326 1.763 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000881566895 591241427 /nfs/dbraw/zinc/24/14/27/591241427.db2.gz IHNOAGVJADXQLO-GKUNOOHESA-N 1 2 245.326 1.772 20 0 BDADLO C[C@H](CNc1ncc(C=O)cn1)Cn1cc[nH+]c1 ZINC000881819162 591273161 /nfs/dbraw/zinc/27/31/61/591273161.db2.gz HPEBOUDVBKRHQE-SNVBAGLBSA-N 1 2 245.286 1.234 20 0 BDADLO CC(=O)NC1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000881870212 591275768 /nfs/dbraw/zinc/27/57/68/591275768.db2.gz MUFNPIJUYVDXEX-UHFFFAOYSA-N 1 2 248.330 1.198 20 0 BDADLO Cc1[nH+]cnc(N[C@@H](C)CC[S@](C)=O)c1C ZINC000882032568 591288329 /nfs/dbraw/zinc/28/83/29/591288329.db2.gz LLIJJFIEAYAGES-PWJLMRLQSA-N 1 2 241.360 1.662 20 0 BDADLO Cc1[nH+]cnc(NCC2(CO)CC2)c1C ZINC000882047069 591291903 /nfs/dbraw/zinc/29/19/03/591291903.db2.gz NQWIOHCYUOOQES-UHFFFAOYSA-N 1 2 207.277 1.278 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CC(=O)N(C3CC3)C2)c1C ZINC000882052546 591292393 /nfs/dbraw/zinc/29/23/93/591292393.db2.gz JEPOEBLMIOGKTO-JTQLQIEISA-N 1 2 246.314 1.269 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H]([C@H]3CCOC3)C2)c1C ZINC000882125103 591301876 /nfs/dbraw/zinc/30/18/76/591301876.db2.gz MGPOPPJXYULGCM-STQMWFEESA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH+]cnc(NCCC[C@H](C)CO)c1C ZINC000882136267 591304208 /nfs/dbraw/zinc/30/42/08/591304208.db2.gz OEXDTHCMFXLFQS-VIFPVBQESA-N 1 2 223.320 1.914 20 0 BDADLO Cc1[nH+]cnc(N2CCC(=O)[C@@H](C)C2)c1C ZINC000882207590 591316118 /nfs/dbraw/zinc/31/61/18/591316118.db2.gz YRQZAZPCIHCZFD-QMMMGPOBSA-N 1 2 219.288 1.509 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2CC[C@@H](O)C2)c1C ZINC000882243650 591320528 /nfs/dbraw/zinc/32/05/28/591320528.db2.gz AZIKJVQVEXSDIR-WDEREUQCSA-N 1 2 221.304 1.666 20 0 BDADLO Cc1cccc2[nH+]c(CN3C(=O)COC3=O)cn21 ZINC000882275220 591324055 /nfs/dbraw/zinc/32/40/55/591324055.db2.gz DLQWCTQWJYEHNF-UHFFFAOYSA-N 1 2 245.238 1.122 20 0 BDADLO CO[C@H](C)CN(C)c1nc[nH+]c(C)c1C ZINC000882361490 591338084 /nfs/dbraw/zinc/33/80/84/591338084.db2.gz ZVSFYZUPYUPXHN-MRVPVSSYSA-N 1 2 209.293 1.565 20 0 BDADLO Cc1[nH+]cnc(NCC(C)(C)OCCO)c1C ZINC000882378965 591339784 /nfs/dbraw/zinc/33/97/84/591339784.db2.gz MYYQYJNZZDNOEW-UHFFFAOYSA-N 1 2 239.319 1.293 20 0 BDADLO CC(=O)N1CC[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000882378500 591340504 /nfs/dbraw/zinc/34/05/04/591340504.db2.gz AQNDUQYJIXDNEY-GFCCVEGCSA-N 1 2 248.330 1.374 20 0 BDADLO Cc1ncnc(N[C@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000882382294 591340583 /nfs/dbraw/zinc/34/05/83/591340583.db2.gz CVWZGZVCCIMDLK-JTQLQIEISA-N 1 2 243.314 1.786 20 0 BDADLO Cc1ncnc(N[C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000882382294 591340587 /nfs/dbraw/zinc/34/05/87/591340587.db2.gz CVWZGZVCCIMDLK-JTQLQIEISA-N 1 2 243.314 1.786 20 0 BDADLO CC1=NO[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000882415320 591345177 /nfs/dbraw/zinc/34/51/77/591345177.db2.gz JVKWGTTWYADORA-JTQLQIEISA-N 1 2 220.276 1.670 20 0 BDADLO CO[C@@H]1CCN(c2nc[nH+]c(C)c2C)C[C@H]1C ZINC000882419086 591345658 /nfs/dbraw/zinc/34/56/58/591345658.db2.gz BVJUGQCTYFTLLK-BXKDBHETSA-N 1 2 235.331 1.955 20 0 BDADLO C[C@H]1C[C@@H](Nc2ncc(C=O)cn2)c2[nH+]ccn21 ZINC000882426617 591346411 /nfs/dbraw/zinc/34/64/11/591346411.db2.gz NTGRLHOYMJJABA-WCBMZHEXSA-N 1 2 243.270 1.604 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@H](CCCO)C2)c1C ZINC000882435116 591348768 /nfs/dbraw/zinc/34/87/68/591348768.db2.gz WBJAJRVRLZFVEV-LBPRGKRZSA-N 1 2 235.331 1.692 20 0 BDADLO COCC1(CNc2nc[nH+]c(C)c2C)CC1 ZINC000882543033 591389552 /nfs/dbraw/zinc/38/95/52/591389552.db2.gz DVSUWUHIMGUARF-UHFFFAOYSA-N 1 2 221.304 1.932 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H](C)C(O)[C@@H](C)C2)c1C ZINC000882617865 591400800 /nfs/dbraw/zinc/40/08/00/591400800.db2.gz XFFMAMPRSKBCJG-IUCAKERBSA-N 1 2 235.331 1.547 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2CCOC3(CCC3)C2)C1 ZINC000129767085 591401391 /nfs/dbraw/zinc/40/13/91/591401391.db2.gz QUINZLTUWICWQO-LLVKDONJSA-N 1 2 238.331 1.067 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2CCOC3(CCC3)C2)C1 ZINC000129767085 591401395 /nfs/dbraw/zinc/40/13/95/591401395.db2.gz QUINZLTUWICWQO-LLVKDONJSA-N 1 2 238.331 1.067 20 0 BDADLO CCCNc1cc(NC2CCOCC2)nc[nH+]1 ZINC000129782577 591404278 /nfs/dbraw/zinc/40/42/78/591404278.db2.gz DDOFZHJMUBNPPW-UHFFFAOYSA-N 1 2 236.319 1.889 20 0 BDADLO CCCNc1cc(NC2CCOCC2)[nH+]cn1 ZINC000129782577 591404284 /nfs/dbraw/zinc/40/42/84/591404284.db2.gz DDOFZHJMUBNPPW-UHFFFAOYSA-N 1 2 236.319 1.889 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]3COC[C@H]3C2)c1C ZINC000882631274 591404511 /nfs/dbraw/zinc/40/45/11/591404511.db2.gz IKENBJLYQCCXMU-VXGBXAGGSA-N 1 2 233.315 1.566 20 0 BDADLO OCc1cc[nH+]c(NCC2SCCS2)c1 ZINC000882632906 591404696 /nfs/dbraw/zinc/40/46/96/591404696.db2.gz YJTKBLCRASWIMV-UHFFFAOYSA-N 1 2 242.369 1.792 20 0 BDADLO CC(C)c1nc(N2Cc3cnn(C)c3C2)cc[nH+]1 ZINC000882646818 591407344 /nfs/dbraw/zinc/40/73/44/591407344.db2.gz KMHZIHXUAGCWGY-UHFFFAOYSA-N 1 2 243.314 1.854 20 0 BDADLO CO[C@H]1C[C@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882670531 591409384 /nfs/dbraw/zinc/40/93/84/591409384.db2.gz XTLFDIRVYPCYOP-MGCOHNPYSA-N 1 2 207.277 1.683 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)c1ccnn1C ZINC000882705814 591416074 /nfs/dbraw/zinc/41/60/74/591416074.db2.gz XUYZKVVZCFTMJF-QMMMGPOBSA-N 1 2 220.251 1.549 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000882715522 591419038 /nfs/dbraw/zinc/41/90/38/591419038.db2.gz FXHRNNJYTDAPFB-FRRDWIJNSA-N 1 2 248.326 1.943 20 0 BDADLO C[C@@H](O)CSc1[nH+]cnc2[nH]ccc21 ZINC000882737854 591425559 /nfs/dbraw/zinc/42/55/59/591425559.db2.gz ZSCWELFDIWKGPO-ZCFIWIBFSA-N 1 2 209.274 1.431 20 0 BDADLO OCc1cc[nH+]c(NC[C@@H]2C=CCC2)c1 ZINC000882756226 591430013 /nfs/dbraw/zinc/43/00/13/591430013.db2.gz SIBMOFRWPKSJLK-SNVBAGLBSA-N 1 2 204.273 1.952 20 0 BDADLO C[C@@H](O)CNc1cc(NC[C@@H]2C=CCC2)[nH+]cn1 ZINC000882757726 591431333 /nfs/dbraw/zinc/43/13/33/591431333.db2.gz OFKUWKXTOUPELN-GHMZBOCLSA-N 1 2 248.330 1.647 20 0 BDADLO C[C@@H](O)CNc1cc(NC[C@@H]2C=CCC2)nc[nH+]1 ZINC000882757726 591431336 /nfs/dbraw/zinc/43/13/36/591431336.db2.gz OFKUWKXTOUPELN-GHMZBOCLSA-N 1 2 248.330 1.647 20 0 BDADLO CC(C)[C@@H](O)CCO[NH+]=C(N)c1ccccc1 ZINC000882941439 591480055 /nfs/dbraw/zinc/48/00/55/591480055.db2.gz QWEDWKAEDXGDII-LBPRGKRZSA-N 1 2 236.315 1.940 20 0 BDADLO CC(C)[C@H](O)CCO[NH+]=C(N)COC(C)(C)C ZINC000882988221 591496043 /nfs/dbraw/zinc/49/60/43/591496043.db2.gz GPQSQRUYQBRMRN-SNVBAGLBSA-N 1 2 246.351 1.707 20 0 BDADLO CC1(C)CCC(CO[NH+]=C(N)CO)CC1 ZINC000883011720 591510396 /nfs/dbraw/zinc/51/03/96/591510396.db2.gz HGDXYJPMGBWGPN-UHFFFAOYSA-N 1 2 214.309 1.694 20 0 BDADLO NC(CO)=[NH+]OCc1ncccc1C(F)(F)F ZINC000883012606 591512445 /nfs/dbraw/zinc/51/24/45/591512445.db2.gz LRFZJWMNGDJREJ-UHFFFAOYSA-N 1 2 249.192 1.091 20 0 BDADLO NC(CO)=[NH+]OCCCCc1ccccc1 ZINC000883012337 591512998 /nfs/dbraw/zinc/51/29/98/591512998.db2.gz BYUDMNIBKVJOGY-UHFFFAOYSA-N 1 2 222.288 1.500 20 0 BDADLO CCc1ccccc1CCO[NH+]=C(N)CO ZINC000883012683 591513314 /nfs/dbraw/zinc/51/33/14/591513314.db2.gz OJCTXDWBQPDMCQ-UHFFFAOYSA-N 1 2 222.288 1.282 20 0 BDADLO CC(C)[C@H](O)CCO[NH+]=C(N)COC1CCC1 ZINC000883040399 591524755 /nfs/dbraw/zinc/52/47/55/591524755.db2.gz AOGCDLFNMZZXID-LLVKDONJSA-N 1 2 244.335 1.461 20 0 BDADLO CC(C)c1c[nH]c(CNCC(F)F)[nH+]1 ZINC000883117817 591542968 /nfs/dbraw/zinc/54/29/68/591542968.db2.gz IQUOTYIVFWDDRA-UHFFFAOYSA-N 1 2 203.236 1.888 20 0 BDADLO O=c1oc2ccc(C[NH2+]C(CF)CF)cc2o1 ZINC000883132389 591546281 /nfs/dbraw/zinc/54/62/81/591546281.db2.gz PQTRPKPLQFGTNM-UHFFFAOYSA-N 1 2 243.209 1.783 20 0 BDADLO COc1cc(NCc2[nH]cc(C(C)C)[nH+]2)[nH]n1 ZINC000883187777 591566315 /nfs/dbraw/zinc/56/63/15/591566315.db2.gz VXBGERXICLGJBY-UHFFFAOYSA-N 1 2 235.291 1.877 20 0 BDADLO C[C@H]1CN(C)C[C@H]1[NH2+]C1(c2ncccn2)CCC1 ZINC000883312467 591612715 /nfs/dbraw/zinc/61/27/15/591612715.db2.gz DMBRFCLHHWMLFD-NWDGAFQWSA-N 1 2 246.358 1.396 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C=CCC1 ZINC000883322663 591615792 /nfs/dbraw/zinc/61/57/92/591615792.db2.gz PKLCVRXNFNXPBQ-SNVBAGLBSA-N 1 2 234.303 1.186 20 0 BDADLO Cn1cc(Cl)c(NCc2[nH]cc[nH+]2)n1 ZINC000883373252 591636174 /nfs/dbraw/zinc/63/61/74/591636174.db2.gz HBMKCSHVBIVECI-UHFFFAOYSA-N 1 2 211.656 1.409 20 0 BDADLO C=C/C=C/CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000883830394 591749347 /nfs/dbraw/zinc/74/93/47/591749347.db2.gz KCJOQNGJWFZXOH-SNAWJCMRSA-N 1 2 234.303 1.683 20 0 BDADLO O=C(NC[C@H]1C=CCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000883844236 591754948 /nfs/dbraw/zinc/75/49/48/591754948.db2.gz ATXNROKDCGREAL-QWRGUYRKSA-N 1 2 246.314 1.073 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133292995 591783952 /nfs/dbraw/zinc/78/39/52/591783952.db2.gz FUROPOQILGRENB-GFCCVEGCSA-N 1 2 238.335 1.051 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133292995 591783954 /nfs/dbraw/zinc/78/39/54/591783954.db2.gz FUROPOQILGRENB-GFCCVEGCSA-N 1 2 238.335 1.051 20 0 BDADLO CCOC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC000883998597 591790348 /nfs/dbraw/zinc/79/03/48/591790348.db2.gz DETWJHXBSYWUAR-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@H](C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800104732 591823698 /nfs/dbraw/zinc/82/36/98/591823698.db2.gz FCLKPIBGWUCCDJ-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@H](C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800104732 591823702 /nfs/dbraw/zinc/82/37/02/591823702.db2.gz FCLKPIBGWUCCDJ-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C(C)(C)C)CCO1 ZINC000800138141 591826829 /nfs/dbraw/zinc/82/68/29/591826829.db2.gz CQZLDVLFTIJOKC-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C(C)(C)C)CCO1 ZINC000800138141 591826831 /nfs/dbraw/zinc/82/68/31/591826831.db2.gz CQZLDVLFTIJOKC-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)CCC2CC2)CCO1 ZINC000800168313 591830451 /nfs/dbraw/zinc/83/04/51/591830451.db2.gz GRJMPHACMCRHOJ-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)CCC2CC2)CCO1 ZINC000800168313 591830453 /nfs/dbraw/zinc/83/04/53/591830453.db2.gz GRJMPHACMCRHOJ-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)OCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000134136399 591892048 /nfs/dbraw/zinc/89/20/48/591892048.db2.gz TTXCVOKFTZALHN-JTQLQIEISA-N 1 2 231.336 1.731 20 0 BDADLO CCc1nc(N2CCC[C@@H](F)C2)cc[nH+]1 ZINC000884496300 591957280 /nfs/dbraw/zinc/95/72/80/591957280.db2.gz SCAWRNKFNDFGQC-SECBINFHSA-N 1 2 209.268 1.977 20 0 BDADLO CCc1nc(N2CC[C@H](OC)[C@H](C)C2)cc[nH+]1 ZINC000884520855 591965025 /nfs/dbraw/zinc/96/50/25/591965025.db2.gz HLJYRQWVXULVAG-MNOVXSKESA-N 1 2 235.331 1.900 20 0 BDADLO CCc1nc(N[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000884526416 591966621 /nfs/dbraw/zinc/96/66/21/591966621.db2.gz SZSGIXIRVBSYGK-RKDXNWHRSA-N 1 2 207.277 1.364 20 0 BDADLO CCc1nc(NCc2cc(=O)cc[nH]2)cc[nH+]1 ZINC000884529189 591967958 /nfs/dbraw/zinc/96/79/58/591967958.db2.gz IUKLKGXDUZQFTF-UHFFFAOYSA-N 1 2 230.271 1.339 20 0 BDADLO CCc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH+]1 ZINC000884545109 591974346 /nfs/dbraw/zinc/97/43/46/591974346.db2.gz YQUNHCWHOJMYFY-BBBLOLIVSA-N 1 2 219.288 1.771 20 0 BDADLO c1nc(N2C[C@@H]3C[C@@H]3C2)cc(N2CCCCC2)[nH+]1 ZINC000884588426 591988617 /nfs/dbraw/zinc/98/86/17/591988617.db2.gz HPQSUPMAAQLHLD-TXEJJXNPSA-N 1 2 244.342 1.923 20 0 BDADLO c1nc(N2CCCCC2)cc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884588426 591988620 /nfs/dbraw/zinc/98/86/20/591988620.db2.gz HPQSUPMAAQLHLD-TXEJJXNPSA-N 1 2 244.342 1.923 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2C[C@@H]3C[C@@H]3C2)c1 ZINC000884591492 591989927 /nfs/dbraw/zinc/98/99/27/591989927.db2.gz SNXNKZVMFXUYJE-PHIMTYICSA-N 1 2 232.283 1.253 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1CNc1cc(C)[nH+]cn1 ZINC000884800275 592017834 /nfs/dbraw/zinc/01/78/34/592017834.db2.gz TWRJSFFJZIHWTG-RKDXNWHRSA-N 1 2 221.260 1.006 20 0 BDADLO CCc1cc(N[C@@H](CCO)C(F)(F)F)nc[nH+]1 ZINC000884834244 592024632 /nfs/dbraw/zinc/02/46/32/592024632.db2.gz UAHVYFLVKAKVAT-QMMMGPOBSA-N 1 2 249.236 1.764 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC(=O)CC[C@H]2C)[nH+]1 ZINC000885074503 592046444 /nfs/dbraw/zinc/04/64/44/592046444.db2.gz UUGXIHCISBEALF-SECBINFHSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(=O)CC[C@@H]1C ZINC000885076471 592047201 /nfs/dbraw/zinc/04/72/01/592047201.db2.gz UXJULEMXSLIGED-UWVGGRQHSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(=O)CC[C@@H]1C ZINC000885076471 592047204 /nfs/dbraw/zinc/04/72/04/592047204.db2.gz UXJULEMXSLIGED-UWVGGRQHSA-N 1 2 249.314 1.168 20 0 BDADLO CCC[C@H](C(=O)OCC)[NH+]1CC(O)(C(C)C)C1 ZINC000216698039 592071445 /nfs/dbraw/zinc/07/14/45/592071445.db2.gz OYWTYPPZFXYBSF-LLVKDONJSA-N 1 2 243.347 1.421 20 0 BDADLO Nc1cc(COC(=O)C2(C3CC3)CC2)cc[nH+]1 ZINC000885732154 592095660 /nfs/dbraw/zinc/09/56/60/592095660.db2.gz JAQPWAJBIVZQCE-UHFFFAOYSA-N 1 2 232.283 1.897 20 0 BDADLO O=C1C[N@H+](CCSC(F)(F)F)CCCN1 ZINC000885981797 592120705 /nfs/dbraw/zinc/12/07/05/592120705.db2.gz NLYLHZWLYIKYON-UHFFFAOYSA-N 1 2 242.266 1.061 20 0 BDADLO O=C1C[N@@H+](CCSC(F)(F)F)CCCN1 ZINC000885981797 592120707 /nfs/dbraw/zinc/12/07/07/592120707.db2.gz NLYLHZWLYIKYON-UHFFFAOYSA-N 1 2 242.266 1.061 20 0 BDADLO Cc1coc(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1 ZINC000886090133 592146758 /nfs/dbraw/zinc/14/67/58/592146758.db2.gz QEILOFJMSIAWQA-VIFPVBQESA-N 1 2 247.302 1.760 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886157925 592165561 /nfs/dbraw/zinc/16/55/61/592165561.db2.gz OACXJKWNNJPKKV-OUAUKWLOSA-N 1 2 247.285 1.115 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886157925 592165562 /nfs/dbraw/zinc/16/55/62/592165562.db2.gz OACXJKWNNJPKKV-OUAUKWLOSA-N 1 2 247.285 1.115 20 0 BDADLO C[C@@]1([NH2+]CCSC(F)(F)F)CCOC1=O ZINC000886211772 592177585 /nfs/dbraw/zinc/17/75/85/592177585.db2.gz XMTHNBROHKVFRC-SSDOTTSWSA-N 1 2 243.250 1.535 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000886236203 592181775 /nfs/dbraw/zinc/18/17/75/592181775.db2.gz BLGYDFCLWXXIHY-HOSYDEDBSA-N 1 2 249.301 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1C[C@@]12CCOC2 ZINC000886236203 592181776 /nfs/dbraw/zinc/18/17/76/592181776.db2.gz BLGYDFCLWXXIHY-HOSYDEDBSA-N 1 2 249.301 1.361 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CC[C@H](C3CC3)O2)CCO1 ZINC000886284254 592200529 /nfs/dbraw/zinc/20/05/29/592200529.db2.gz RNJNDOMRPDIQRK-UPJWGTAASA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)CCO1 ZINC000886284254 592200530 /nfs/dbraw/zinc/20/05/30/592200530.db2.gz RNJNDOMRPDIQRK-UPJWGTAASA-N 1 2 241.331 1.249 20 0 BDADLO COc1ccc(F)cc1CC[NH2+]Cc1ccn[nH]1 ZINC000886312083 592205869 /nfs/dbraw/zinc/20/58/69/592205869.db2.gz SBVOCSKBQRJQMY-UHFFFAOYSA-N 1 2 249.289 1.890 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886341746 592212167 /nfs/dbraw/zinc/21/21/67/592212167.db2.gz ZUAQFESLOWAEKY-HLTSFMKQSA-N 1 2 237.328 1.422 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886341746 592212170 /nfs/dbraw/zinc/21/21/70/592212170.db2.gz ZUAQFESLOWAEKY-HLTSFMKQSA-N 1 2 237.328 1.422 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cnon1 ZINC000886442496 592226140 /nfs/dbraw/zinc/22/61/40/592226140.db2.gz ZAOBRSFXBOSRGT-ZDUSSCGKSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cnon1 ZINC000886442496 592226142 /nfs/dbraw/zinc/22/61/42/592226142.db2.gz ZAOBRSFXBOSRGT-ZDUSSCGKSA-N 1 2 247.298 1.543 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1ncco1 ZINC000886527992 592246022 /nfs/dbraw/zinc/24/60/22/592246022.db2.gz DULSQTAPXYIDNZ-SECBINFHSA-N 1 2 225.292 1.194 20 0 BDADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ncco1 ZINC000886538248 592252999 /nfs/dbraw/zinc/25/29/99/592252999.db2.gz FESJEXFQLOOXNO-NTSWFWBYSA-N 1 2 224.182 1.248 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)no1 ZINC000886556877 592260135 /nfs/dbraw/zinc/26/01/35/592260135.db2.gz LVWFNNWRDMBHDZ-DTORHVGOSA-N 1 2 225.317 1.173 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)no1 ZINC000886556877 592260139 /nfs/dbraw/zinc/26/01/39/592260139.db2.gz LVWFNNWRDMBHDZ-DTORHVGOSA-N 1 2 225.317 1.173 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)n1 ZINC000886680362 592299845 /nfs/dbraw/zinc/29/98/45/592299845.db2.gz CFHIWYCHNHGRSQ-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3ncccn3)C2)n1 ZINC000886680362 592299848 /nfs/dbraw/zinc/29/98/48/592299848.db2.gz CFHIWYCHNHGRSQ-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819981 592346013 /nfs/dbraw/zinc/34/60/13/592346013.db2.gz ZNJMLWCNDKXIDR-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819981 592346019 /nfs/dbraw/zinc/34/60/19/592346019.db2.gz ZNJMLWCNDKXIDR-GXSJLCMTSA-N 1 2 239.344 1.539 20 0 BDADLO Cn1c[nH+]c(/C=C2\C(=O)Oc3ccccc32)c1 ZINC000221211511 592401210 /nfs/dbraw/zinc/40/12/10/592401210.db2.gz ROMOXQDBZHGVDL-WDZFZDKYSA-N 1 2 226.235 1.880 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCCCF ZINC000887077679 592434950 /nfs/dbraw/zinc/43/49/50/592434950.db2.gz RFQBNWYOKDQPRG-JTQLQIEISA-N 1 2 249.351 1.717 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CCCCCF ZINC000887077679 592434952 /nfs/dbraw/zinc/43/49/52/592434952.db2.gz RFQBNWYOKDQPRG-JTQLQIEISA-N 1 2 249.351 1.717 20 0 BDADLO CCCCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074342 592435638 /nfs/dbraw/zinc/43/56/38/592435638.db2.gz UNRCTABNXWWWJM-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO CCCCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887074342 592435642 /nfs/dbraw/zinc/43/56/42/592435642.db2.gz UNRCTABNXWWWJM-SNVBAGLBSA-N 1 2 231.361 1.767 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000887074020 592436413 /nfs/dbraw/zinc/43/64/13/592436413.db2.gz MLVZUAYYKVHTBT-MNOVXSKESA-N 1 2 241.356 1.686 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1[C@@H]1C=CCCC1 ZINC000887074020 592436419 /nfs/dbraw/zinc/43/64/19/592436419.db2.gz MLVZUAYYKVHTBT-MNOVXSKESA-N 1 2 241.356 1.686 20 0 BDADLO COC(=O)[C@H]1CSCC[N@@H+]1CCCC1CC1 ZINC000887079591 592437613 /nfs/dbraw/zinc/43/76/13/592437613.db2.gz VLSOCHIZCFCHRH-LLVKDONJSA-N 1 2 243.372 1.767 20 0 BDADLO COC(=O)[C@H]1CSCC[N@H+]1CCCC1CC1 ZINC000887079591 592437614 /nfs/dbraw/zinc/43/76/14/592437614.db2.gz VLSOCHIZCFCHRH-LLVKDONJSA-N 1 2 243.372 1.767 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)CCCF)no1 ZINC000887141103 592455369 /nfs/dbraw/zinc/45/53/69/592455369.db2.gz GHKSGXGGRXCXQP-SSDOTTSWSA-N 1 2 201.245 1.730 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCCF ZINC000887141467 592458206 /nfs/dbraw/zinc/45/82/06/592458206.db2.gz VIYPPDKIWQOPST-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCCF ZINC000887141467 592458209 /nfs/dbraw/zinc/45/82/09/592458209.db2.gz VIYPPDKIWQOPST-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887326436 592481725 /nfs/dbraw/zinc/48/17/25/592481725.db2.gz BYTIIZVGTWQBKW-DABQJJPHSA-N 1 2 236.359 1.981 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887326436 592481728 /nfs/dbraw/zinc/48/17/28/592481728.db2.gz BYTIIZVGTWQBKW-DABQJJPHSA-N 1 2 236.359 1.981 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C(F)(F)F)C1 ZINC000888020888 592567535 /nfs/dbraw/zinc/56/75/35/592567535.db2.gz IMJVNXNUYOWFSL-ZETCQYMHSA-N 1 2 247.220 1.363 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(Cc1ccoc1)C1CC1 ZINC000889087626 592579315 /nfs/dbraw/zinc/57/93/15/592579315.db2.gz UDCDNMQFTUCZNP-UHFFFAOYSA-N 1 2 245.282 1.736 20 0 BDADLO C[C@H]1CO[C@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000889225199 592590482 /nfs/dbraw/zinc/59/04/82/592590482.db2.gz KNWJVSIKFZJSFF-ZJUUUORDSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1cncs1 ZINC000889507636 592615980 /nfs/dbraw/zinc/61/59/80/592615980.db2.gz YYTCRAKDAXFUGR-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]c[nH]1)c1cncs1 ZINC000889507636 592615981 /nfs/dbraw/zinc/61/59/81/592615981.db2.gz YYTCRAKDAXFUGR-SSDOTTSWSA-N 1 2 236.300 1.286 20 0 BDADLO C[C@H](Cc1cccnc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000889677032 592642407 /nfs/dbraw/zinc/64/24/07/592642407.db2.gz MXHSUIUONVVOHF-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO C[C@H](Cc1cccnc1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000889677032 592642408 /nfs/dbraw/zinc/64/24/08/592642408.db2.gz MXHSUIUONVVOHF-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO Cc1cc(F)ncc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890100025 592679250 /nfs/dbraw/zinc/67/92/50/592679250.db2.gz OQTNSNAUYKSMAO-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCCC[C@@](C)(F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890103067 592680059 /nfs/dbraw/zinc/68/00/59/592680059.db2.gz FULCEMQIQUCJBW-GFCCVEGCSA-N 1 2 241.310 1.955 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104848 592680946 /nfs/dbraw/zinc/68/09/46/592680946.db2.gz RNILWBKCFQFGSI-GXFFZTMASA-N 1 2 235.331 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CC3(CCC3)C2)c1 ZINC000890105019 592681015 /nfs/dbraw/zinc/68/10/15/592681015.db2.gz VJCOJZNQPYWNJB-UHFFFAOYSA-N 1 2 233.315 1.617 20 0 BDADLO C[C@@H](CC(F)(F)F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890105178 592681039 /nfs/dbraw/zinc/68/10/39/592681039.db2.gz YBICFHHAJCTKGR-ZETCQYMHSA-N 1 2 249.236 1.625 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104850 592681327 /nfs/dbraw/zinc/68/13/27/592681327.db2.gz RNILWBKCFQFGSI-MFKMUULPSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCc1cn(C)c[nH+]1 ZINC000890104539 592681472 /nfs/dbraw/zinc/68/14/72/592681472.db2.gz ZRWMFXVJQVIFEF-JTQLQIEISA-N 1 2 247.298 1.508 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)c1ccccn1 ZINC000890108100 592682698 /nfs/dbraw/zinc/68/26/98/592682698.db2.gz UMHGQULYPOVADH-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109748 592684268 /nfs/dbraw/zinc/68/42/68/592684268.db2.gz RUNRPZSRSBGHEV-VHSXEESVSA-N 1 2 223.320 1.719 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000890113674 592684811 /nfs/dbraw/zinc/68/48/11/592684811.db2.gz LPHBSDAKRDBZPH-CYBMUJFWSA-N 1 2 241.294 1.376 20 0 BDADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)c(C)n1C ZINC000890117575 592685232 /nfs/dbraw/zinc/68/52/32/592685232.db2.gz QGSPYWLYQMSTBT-UHFFFAOYSA-N 1 2 246.314 1.305 20 0 BDADLO CC[N@H+](CCSC(F)(F)F)CC(=O)OC ZINC000128038014 592729304 /nfs/dbraw/zinc/72/93/04/592729304.db2.gz MZQPUIVTXLIPEW-UHFFFAOYSA-N 1 2 245.266 1.734 20 0 BDADLO CC[N@@H+](CCSC(F)(F)F)CC(=O)OC ZINC000128038014 592729305 /nfs/dbraw/zinc/72/93/05/592729305.db2.gz MZQPUIVTXLIPEW-UHFFFAOYSA-N 1 2 245.266 1.734 20 0 BDADLO CCCOC(=O)C[NH2+][C@H](C)CCSC ZINC001258213249 991133448 /nfs/dbraw/zinc/13/34/48/991133448.db2.gz ZBNVPNGHIKONEC-SECBINFHSA-N 1 2 219.350 1.671 20 0 BDADLO CCc1cc(N2CC[C@H](C)[C@@H]2CO)nc(CC)[nH+]1 ZINC000893395610 634396859 /nfs/dbraw/zinc/39/68/59/634396859.db2.gz OWBZKZKTSUGVDB-JQWIXIFHSA-N 1 2 249.358 1.809 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1COCC1(C)C ZINC000313027964 634441834 /nfs/dbraw/zinc/44/18/34/634441834.db2.gz URIPAUCWBMEOQF-SNVBAGLBSA-N 1 2 222.288 1.927 20 0 BDADLO OC[C@]1(O)CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000313644570 634504164 /nfs/dbraw/zinc/50/41/64/634504164.db2.gz SXXPZGGUBKTIME-SGDMMICCSA-N 1 2 240.130 1.125 20 0 BDADLO OC[C@]1(O)CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000313644570 634504168 /nfs/dbraw/zinc/50/41/68/634504168.db2.gz SXXPZGGUBKTIME-SGDMMICCSA-N 1 2 240.130 1.125 20 0 BDADLO C[C@H](c1noc([C@@H](C)[NH+](C)C)n1)[C@@H]1CCCO1 ZINC000924175310 634571494 /nfs/dbraw/zinc/57/14/94/634571494.db2.gz OZQVWZMIXNAEQJ-AEJSXWLSSA-N 1 2 239.319 1.975 20 0 BDADLO C[NH+]1CCN(CCC(=O)C(C)(C)C)CC1 ZINC000054026294 635327101 /nfs/dbraw/zinc/32/71/01/635327101.db2.gz DFWHBLBFQPBECD-UHFFFAOYSA-N 1 2 212.337 1.239 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)o1 ZINC000931935476 635472778 /nfs/dbraw/zinc/47/27/78/635472778.db2.gz FNQTVHQGKGNHIF-JTQLQIEISA-N 1 2 248.286 1.664 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](c3noc(C)n3)C2)o1 ZINC000931935476 635472783 /nfs/dbraw/zinc/47/27/83/635472783.db2.gz FNQTVHQGKGNHIF-JTQLQIEISA-N 1 2 248.286 1.664 20 0 BDADLO CCC(CC)[C@@H](O)CNc1cc(NC)nc[nH+]1 ZINC000230667546 635489572 /nfs/dbraw/zinc/48/95/72/635489572.db2.gz WUEZCKBNUYEULC-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000233064017 635524011 /nfs/dbraw/zinc/52/40/11/635524011.db2.gz YFRHDZOMSVUWRY-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CCOCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308395499 631305802 /nfs/dbraw/zinc/30/58/02/631305802.db2.gz YOQVCIGDXAURLL-UHFFFAOYSA-N 1 2 237.303 1.097 20 0 BDADLO CC[C@@H](C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000308395829 631308433 /nfs/dbraw/zinc/30/84/33/631308433.db2.gz ZNKTXLCJCBAWDL-SECBINFHSA-N 1 2 221.304 1.716 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000308375730 631312555 /nfs/dbraw/zinc/31/25/55/631312555.db2.gz LGVPRQIHFFMPIN-MNOVXSKESA-N 1 2 249.314 1.095 20 0 BDADLO CC1(C(=O)NCc2ccc(N)[nH+]c2)CC1 ZINC000308379141 631313681 /nfs/dbraw/zinc/31/36/81/631313681.db2.gz RAJHSFZJFICQOB-UHFFFAOYSA-N 1 2 205.261 1.080 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000308378549 631313751 /nfs/dbraw/zinc/31/37/51/631313751.db2.gz PBXQQQSRYQSHML-XRMSOAODSA-N 1 2 201.697 1.992 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000308378549 631313756 /nfs/dbraw/zinc/31/37/56/631313756.db2.gz PBXQQQSRYQSHML-XRMSOAODSA-N 1 2 201.697 1.992 20 0 BDADLO CC[C@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308379088 631314265 /nfs/dbraw/zinc/31/42/65/631314265.db2.gz QMAAJSRATDTBSH-QMMMGPOBSA-N 1 2 207.277 1.326 20 0 BDADLO Cc1conc1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933894500 631545790 /nfs/dbraw/zinc/54/57/90/631545790.db2.gz BLPFVXOAZISBPA-NSHDSACASA-N 1 2 238.287 1.320 20 0 BDADLO Cc1conc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933894500 631545792 /nfs/dbraw/zinc/54/57/92/631545792.db2.gz BLPFVXOAZISBPA-NSHDSACASA-N 1 2 238.287 1.320 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ocnc1C ZINC000893898063 635635193 /nfs/dbraw/zinc/63/51/93/635635193.db2.gz UPPPCIVTRMTDCL-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ocnc1C ZINC000893898063 635635195 /nfs/dbraw/zinc/63/51/95/635635195.db2.gz UPPPCIVTRMTDCL-MWLCHTKSSA-N 1 2 224.304 1.982 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1c(F)cccc1F ZINC000934014726 631586510 /nfs/dbraw/zinc/58/65/10/631586510.db2.gz OEKULDUPVLSNJF-MRVPVSSYSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1c(F)cccc1F ZINC000934014726 631586511 /nfs/dbraw/zinc/58/65/11/631586511.db2.gz OEKULDUPVLSNJF-MRVPVSSYSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccsc1Cl ZINC000934011757 631587734 /nfs/dbraw/zinc/58/77/34/631587734.db2.gz NLUCWANXSDGJMC-MRVPVSSYSA-N 1 2 217.721 1.968 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccsc1Cl ZINC000934011757 631587737 /nfs/dbraw/zinc/58/77/37/631587737.db2.gz NLUCWANXSDGJMC-MRVPVSSYSA-N 1 2 217.721 1.968 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000934014025 631594329 /nfs/dbraw/zinc/59/43/29/631594329.db2.gz JOBSSQCUGYPLSQ-ZDUSSCGKSA-N 1 2 243.310 1.439 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000934014025 631594333 /nfs/dbraw/zinc/59/43/33/631594333.db2.gz JOBSSQCUGYPLSQ-ZDUSSCGKSA-N 1 2 243.310 1.439 20 0 BDADLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934024456 631599814 /nfs/dbraw/zinc/59/98/14/631599814.db2.gz DAVYOIXQTFAJBV-CYBMUJFWSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H]2CO)c1 ZINC000934024456 631599827 /nfs/dbraw/zinc/59/98/27/631599827.db2.gz DAVYOIXQTFAJBV-CYBMUJFWSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]2CO)c(C)c1 ZINC000934025960 631604863 /nfs/dbraw/zinc/60/48/63/631604863.db2.gz IJNUQUQHUYZPIQ-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H]2CO)c(C)c1 ZINC000934025960 631604866 /nfs/dbraw/zinc/60/48/66/631604866.db2.gz IJNUQUQHUYZPIQ-LBPRGKRZSA-N 1 2 248.326 1.309 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1nsc2ccccc21 ZINC000934019612 631616035 /nfs/dbraw/zinc/61/60/35/631616035.db2.gz RACKYCOUCDKJIX-SECBINFHSA-N 1 2 234.324 1.863 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1nsc2ccccc21 ZINC000934019612 631616039 /nfs/dbraw/zinc/61/60/39/631616039.db2.gz RACKYCOUCDKJIX-SECBINFHSA-N 1 2 234.324 1.863 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000934023766 631624589 /nfs/dbraw/zinc/62/45/89/631624589.db2.gz LGPLCXRESIYCGY-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000934023766 631624592 /nfs/dbraw/zinc/62/45/92/631624592.db2.gz LGPLCXRESIYCGY-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO Cc1nc(N2CCC3(CC2)OCCO3)cc[nH+]1 ZINC000097093933 631658125 /nfs/dbraw/zinc/65/81/25/631658125.db2.gz OUTAKWPFRPUJQS-UHFFFAOYSA-N 1 2 235.287 1.128 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)SC)n1 ZINC000308856997 631697262 /nfs/dbraw/zinc/69/72/62/631697262.db2.gz RQMNIKZWYBOQKL-ZETCQYMHSA-N 1 2 215.322 1.473 20 0 BDADLO COC(C)(C)CC[NH2+][C@@]1(C)CCOC1=O ZINC000308900325 631722220 /nfs/dbraw/zinc/72/22/20/631722220.db2.gz BFCUNGKRFWKPCB-NSHDSACASA-N 1 2 215.293 1.097 20 0 BDADLO CC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934278257 631757065 /nfs/dbraw/zinc/75/70/65/631757065.db2.gz WNOLFSBDKRWXOX-QMMMGPOBSA-N 1 2 223.276 1.348 20 0 BDADLO CC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934278257 631757067 /nfs/dbraw/zinc/75/70/67/631757067.db2.gz WNOLFSBDKRWXOX-QMMMGPOBSA-N 1 2 223.276 1.348 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934392771 631818972 /nfs/dbraw/zinc/81/89/72/631818972.db2.gz WLSHFRUSNJWJAB-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)n1 ZINC000934479460 631873716 /nfs/dbraw/zinc/87/37/16/631873716.db2.gz TYIRKUDAODLRON-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@@]2(C)C2CC2)n1 ZINC000934479460 631873719 /nfs/dbraw/zinc/87/37/19/631873719.db2.gz TYIRKUDAODLRON-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)nc1C ZINC000934499676 631886311 /nfs/dbraw/zinc/88/63/11/631886311.db2.gz ISRGTDSEAXILRN-UHFFFAOYSA-N 1 2 244.298 1.911 20 0 BDADLO C[C@H]1C[N@H+](CCNc2nccs2)CCO1 ZINC000309117760 631887285 /nfs/dbraw/zinc/88/72/85/631887285.db2.gz MHGOZISOJJYOMY-VIFPVBQESA-N 1 2 227.333 1.276 20 0 BDADLO C[C@H]1C[N@@H+](CCNc2nccs2)CCO1 ZINC000309117760 631887286 /nfs/dbraw/zinc/88/72/86/631887286.db2.gz MHGOZISOJJYOMY-VIFPVBQESA-N 1 2 227.333 1.276 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934567369 631934800 /nfs/dbraw/zinc/93/48/00/631934800.db2.gz PZXDGJQTJQSHPQ-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cnccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934567369 631934807 /nfs/dbraw/zinc/93/48/07/631934807.db2.gz PZXDGJQTJQSHPQ-NEPJUHHUSA-N 1 2 224.279 1.295 20 0 BDADLO O[C@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1F ZINC000934570267 631938749 /nfs/dbraw/zinc/93/87/49/631938749.db2.gz JCVLWOAKSAYVRQ-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1F ZINC000934570267 631938755 /nfs/dbraw/zinc/93/87/55/631938755.db2.gz JCVLWOAKSAYVRQ-RYUDHWBXSA-N 1 2 227.254 1.730 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934580164 631950426 /nfs/dbraw/zinc/95/04/26/631950426.db2.gz ITEFLMZUVWHBDS-ADEWGFFLSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934580164 631950429 /nfs/dbraw/zinc/95/04/29/631950429.db2.gz ITEFLMZUVWHBDS-ADEWGFFLSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000051837282 631959298 /nfs/dbraw/zinc/95/92/98/631959298.db2.gz FQOMZLYSLIJXEN-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000051837282 631959304 /nfs/dbraw/zinc/95/93/04/631959304.db2.gz FQOMZLYSLIJXEN-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO CC[C@@H](O)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000218805228 632074630 /nfs/dbraw/zinc/07/46/30/632074630.db2.gz FCSGMQYJVVPKEM-NXEZZACHSA-N 1 2 231.336 1.467 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[nH]1 ZINC000926694152 632830731 /nfs/dbraw/zinc/83/07/31/632830731.db2.gz QEBRANCPETZJFZ-HBNTYKKESA-N 1 2 248.330 1.395 20 0 BDADLO CO[C@H](c1noc([C@@H](C)[NH+](C)C)n1)C1CC1 ZINC000924082149 633004091 /nfs/dbraw/zinc/00/40/91/633004091.db2.gz ZSYOOGSSEZRWQB-APPZFPTMSA-N 1 2 225.292 1.790 20 0 BDADLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)nc1 ZINC000162670590 633034730 /nfs/dbraw/zinc/03/47/30/633034730.db2.gz DMSKLBHGOHJORY-UHFFFAOYSA-N 1 2 244.298 1.407 20 0 BDADLO CCc1cc(N(C)[C@@H](C)CCO)nc(CC)[nH+]1 ZINC000894406864 635893286 /nfs/dbraw/zinc/89/32/86/635893286.db2.gz QYOAFWFVOVIGJR-JTQLQIEISA-N 1 2 237.347 1.809 20 0 BDADLO C[C@H](c1nc(CCCF)no1)[NH+](C)C ZINC000924084936 633165265 /nfs/dbraw/zinc/16/52/65/633165265.db2.gz XHZRVTQHWRLNBQ-SSDOTTSWSA-N 1 2 201.245 1.594 20 0 BDADLO CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650993693 633168697 /nfs/dbraw/zinc/16/86/97/633168697.db2.gz ROZDJPWUJUDEOW-UHFFFAOYSA-N 1 2 221.304 1.288 20 0 BDADLO Cc1cnc(F)cc1C(=O)OCc1c[nH+]cn1C ZINC000892775983 633224560 /nfs/dbraw/zinc/22/45/60/633224560.db2.gz KRNUHOBHUABDQA-UHFFFAOYSA-N 1 2 249.245 1.620 20 0 BDADLO C[C@@H]1CC[N@H+](Cn2cc(Br)cn2)C1 ZINC000307710340 635994010 /nfs/dbraw/zinc/99/40/10/635994010.db2.gz PIZZSPUUQZDPDH-MRVPVSSYSA-N 1 2 244.136 1.945 20 0 BDADLO C[C@@H]1CC[N@@H+](Cn2cc(Br)cn2)C1 ZINC000307710340 635994011 /nfs/dbraw/zinc/99/40/11/635994011.db2.gz PIZZSPUUQZDPDH-MRVPVSSYSA-N 1 2 244.136 1.945 20 0 BDADLO CC(C)OC[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000337505597 636027256 /nfs/dbraw/zinc/02/72/56/636027256.db2.gz OMCBLPBKCRZZIR-VIFPVBQESA-N 1 2 242.323 1.039 20 0 BDADLO Cc1noc(C[N@@H+](C)Cc2cc[nH]c(=O)c2)n1 ZINC000895230241 636123039 /nfs/dbraw/zinc/12/30/39/636123039.db2.gz BNKDUQJGYRKTJF-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1noc(C[N@H+](C)Cc2cc[nH]c(=O)c2)n1 ZINC000895230241 636123041 /nfs/dbraw/zinc/12/30/41/636123041.db2.gz BNKDUQJGYRKTJF-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cn1c[nH+]cc1COc1ccc(C=O)cc1 ZINC000085191517 636127990 /nfs/dbraw/zinc/12/79/90/636127990.db2.gz JPBMASNDMRNAAS-UHFFFAOYSA-N 1 2 216.240 1.812 20 0 BDADLO Cn1c[nH+]cc1CCCn1cc(F)ccc1=O ZINC000314094697 633750171 /nfs/dbraw/zinc/75/01/71/633750171.db2.gz HTQCQEFKJXVIRA-UHFFFAOYSA-N 1 2 235.262 1.354 20 0 BDADLO C[C@H](c1nc([C@@H]2CC23CC3)no1)[NH+](C)C ZINC000924099581 633873923 /nfs/dbraw/zinc/87/39/23/633873923.db2.gz IPMYMNWXOJZRIJ-SFYZADRCSA-N 1 2 207.277 1.960 20 0 BDADLO Cc1cc(NC(=O)NC2CSC2)c(C)c[nH+]1 ZINC000930625775 633953542 /nfs/dbraw/zinc/95/35/42/633953542.db2.gz PCZLAUAVANGELT-UHFFFAOYSA-N 1 2 237.328 1.357 20 0 BDADLO CC1(CC(=O)OCCCn2cc[nH+]c2)COC1 ZINC000924116370 634003617 /nfs/dbraw/zinc/00/36/17/634003617.db2.gz FVYDEDZWDXZPCT-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO COC(=O)/C(C)=C\CNc1cc[nH+]cc1F ZINC000895514658 636154448 /nfs/dbraw/zinc/15/44/48/636154448.db2.gz XBDVMPAQEUCRAG-BAQGIRSFSA-N 1 2 224.235 1.174 20 0 BDADLO CCCC[C@H]([NH2+][C@H](CO)C1CC1)C(=O)OC ZINC000310014142 634072867 /nfs/dbraw/zinc/07/28/67/634072867.db2.gz KAEIVTQYZWAIOQ-WDEREUQCSA-N 1 2 229.320 1.079 20 0 BDADLO CCC(CC)(C[NH3+])C(=O)NO[C@H]1CCCCO1 ZINC000236692900 634100024 /nfs/dbraw/zinc/10/00/24/634100024.db2.gz KIMMATIRZUQJEW-JTQLQIEISA-N 1 2 244.335 1.326 20 0 BDADLO CCCCC[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC ZINC000187879977 634125537 /nfs/dbraw/zinc/12/55/37/634125537.db2.gz GZKANBAMQVHLJP-VXGBXAGGSA-N 1 2 243.347 1.877 20 0 BDADLO CO[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000308334927 634296361 /nfs/dbraw/zinc/29/63/61/634296361.db2.gz BORQXDSWSGMDLV-BDAKNGLRSA-N 1 2 235.274 1.161 20 0 BDADLO c1cc(C[NH2+]Cc2cnn(C3CCC3)c2)on1 ZINC000893549184 635139343 /nfs/dbraw/zinc/13/93/43/635139343.db2.gz MTLQPVUELASWLL-UHFFFAOYSA-N 1 2 232.287 1.886 20 0 BDADLO FC1(F)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893634552 635358879 /nfs/dbraw/zinc/35/88/79/635358879.db2.gz VKNDQGJRMZBEFY-UHFFFAOYSA-N 1 2 238.241 1.965 20 0 BDADLO Cc1ccncc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895118474 636065738 /nfs/dbraw/zinc/06/57/38/636065738.db2.gz JFFVJRWGVQGSEO-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ccncc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895118474 636065740 /nfs/dbraw/zinc/06/57/40/636065740.db2.gz JFFVJRWGVQGSEO-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2O)c(C)[nH+]1 ZINC000909576561 636278619 /nfs/dbraw/zinc/27/86/19/636278619.db2.gz GBZMIIMEIBADDJ-VXGBXAGGSA-N 1 2 248.326 1.650 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)CNc2cccc[nH+]2)O1 ZINC000909581366 636285960 /nfs/dbraw/zinc/28/59/60/636285960.db2.gz QMTYJGKIRHHCAO-GHMZBOCLSA-N 1 2 249.314 1.177 20 0 BDADLO Cc1cscc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531385425 636502542 /nfs/dbraw/zinc/50/25/42/636502542.db2.gz MUFXGXYUJPKAGK-UHFFFAOYSA-N 1 2 247.323 1.950 20 0 BDADLO CCC(=O)COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923890265 637002393 /nfs/dbraw/zinc/00/23/93/637002393.db2.gz QLIQKUNTOQQVPD-LLVKDONJSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923890265 637002396 /nfs/dbraw/zinc/00/23/96/637002396.db2.gz QLIQKUNTOQQVPD-LLVKDONJSA-N 1 2 227.304 1.382 20 0 BDADLO CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000899907307 637153090 /nfs/dbraw/zinc/15/30/90/637153090.db2.gz CJNGIZPDRLDWPH-NSHDSACASA-N 1 2 221.304 1.743 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000899907222 637153610 /nfs/dbraw/zinc/15/36/10/637153610.db2.gz CJNGIZPDRLDWPH-LLVKDONJSA-N 1 2 221.304 1.743 20 0 BDADLO C[C@H]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900141837 637173821 /nfs/dbraw/zinc/17/38/21/637173821.db2.gz RIYWICKQUPWXHK-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CCC[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900826199 637193051 /nfs/dbraw/zinc/19/30/51/637193051.db2.gz ALAKXQWGQXFGPH-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO CCC/C=C/[C@@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000900917560 637204603 /nfs/dbraw/zinc/20/46/03/637204603.db2.gz CZDKQFASLDWFFR-MVIFTORASA-N 1 2 237.303 1.052 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccco1 ZINC000042511768 637275342 /nfs/dbraw/zinc/27/53/42/637275342.db2.gz LWYZMVXEAONBOR-SGUJLRQBSA-N 1 2 245.282 1.694 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(C2CSC2)n1 ZINC000904265487 637395182 /nfs/dbraw/zinc/39/51/82/637395182.db2.gz ZQIFVFMHAFRHFA-UHFFFAOYSA-N 1 2 248.311 1.853 20 0 BDADLO CC[C@@](O)(C[NH2+]Cc1cocn1)C(F)(F)F ZINC000905101584 637610354 /nfs/dbraw/zinc/61/03/54/637610354.db2.gz LXZQGUAUTJHJGP-MRVPVSSYSA-N 1 2 238.209 1.468 20 0 BDADLO CCCN1CCC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905318098 637743786 /nfs/dbraw/zinc/74/37/86/637743786.db2.gz BULUGLCRRGLHGZ-SECBINFHSA-N 1 2 236.319 1.564 20 0 BDADLO C[NH2+][C@@H](CC(C)(C)C)c1nc(C2(N)CC2)no1 ZINC000905324677 637748497 /nfs/dbraw/zinc/74/84/97/637748497.db2.gz NQSCOVVRHWECAN-QMMMGPOBSA-N 1 2 238.335 1.714 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000905778624 637909044 /nfs/dbraw/zinc/90/90/44/637909044.db2.gz KPTBRCYFQLONDP-FIQHERPVSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CC1=CCOCC1)C(=O)OC ZINC000905769639 637925299 /nfs/dbraw/zinc/92/52/99/637925299.db2.gz IJVUSNXYUODDDT-PWSUYJOCSA-N 1 2 241.331 1.510 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H](C)CO)c(C)[nH+]1 ZINC000906049737 638037591 /nfs/dbraw/zinc/03/75/91/638037591.db2.gz BJBHXCOTOLBSOK-SECBINFHSA-N 1 2 222.288 1.117 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[C@@H]1CCCO1 ZINC000906697618 638234142 /nfs/dbraw/zinc/23/41/42/638234142.db2.gz QDPBPTZNXWRELL-PWSUYJOCSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[C@H](O)C2)c(C)[nH+]1 ZINC000906883094 638259992 /nfs/dbraw/zinc/25/99/92/638259992.db2.gz CYTVVPUOGNPBPC-NSHDSACASA-N 1 2 234.299 1.214 20 0 BDADLO CCO[C@H]1[C@H](C(=O)NCc2[nH]c[nH+]c2C)[C@@H]1C ZINC000906884286 638268851 /nfs/dbraw/zinc/26/88/51/638268851.db2.gz UEIIVFYIRZIPNL-WHGOUJPWSA-N 1 2 237.303 1.005 20 0 BDADLO Cc1cc(C)c(C(=O)NC[C@@H](O)C2CC2)c(C)[nH+]1 ZINC000906988955 638284948 /nfs/dbraw/zinc/28/49/48/638284948.db2.gz XJHAPRIZWKLNRA-GFCCVEGCSA-N 1 2 248.326 1.508 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000907301289 638345270 /nfs/dbraw/zinc/34/52/70/638345270.db2.gz WPUQEGWXISMGEC-RAIGVLPGSA-N 1 2 247.342 1.989 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000043447883 638347345 /nfs/dbraw/zinc/34/73/45/638347345.db2.gz XOPIVZTUSQTDPS-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@H](OCC)C1 ZINC000043447883 638347349 /nfs/dbraw/zinc/34/73/49/638347349.db2.gz XOPIVZTUSQTDPS-LBPRGKRZSA-N 1 2 243.347 1.831 20 0 BDADLO CC(C)(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907344764 638351289 /nfs/dbraw/zinc/35/12/89/638351289.db2.gz JVXLPIHUIKDMGQ-SNVBAGLBSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC000907325691 638354577 /nfs/dbraw/zinc/35/45/77/638354577.db2.gz TUSVEIFTTGIIDA-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H]1CCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907468468 638383716 /nfs/dbraw/zinc/38/37/16/638383716.db2.gz ZIAWSXIQZZHTKH-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907593681 638415210 /nfs/dbraw/zinc/41/52/10/638415210.db2.gz MGBUASUNPDCSDQ-BDAKNGLRSA-N 1 2 207.277 1.257 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC12CCC2 ZINC000907774719 638468543 /nfs/dbraw/zinc/46/85/43/638468543.db2.gz NEOUVYWTYYEFJB-UHFFFAOYSA-N 1 2 219.288 1.497 20 0 BDADLO C[C@H]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907971986 638531027 /nfs/dbraw/zinc/53/10/27/638531027.db2.gz DWHJBTDDYXZHIR-UWVGGRQHSA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000908190843 638598256 /nfs/dbraw/zinc/59/82/56/638598256.db2.gz GULAHXLQGRYTJN-JTQLQIEISA-N 1 2 233.315 1.798 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(C1CCC1)C1CCC1 ZINC000908365384 638668618 /nfs/dbraw/zinc/66/86/18/638668618.db2.gz WIXOLRKKJXSMCL-UHFFFAOYSA-N 1 2 233.315 1.886 20 0 BDADLO CCN(CC(C)=O)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000908385839 638682783 /nfs/dbraw/zinc/68/27/83/638682783.db2.gz JHMBVCPXEDFJEG-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO CCN(CC(C)=O)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000908385839 638682793 /nfs/dbraw/zinc/68/27/93/638682793.db2.gz JHMBVCPXEDFJEG-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO CCc1noc(C)c1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000908417710 638702697 /nfs/dbraw/zinc/70/26/97/638702697.db2.gz ILTARFHBIWLTKZ-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@@H]1C(F)F ZINC000908507138 639003356 /nfs/dbraw/zinc/00/33/56/639003356.db2.gz WHIAEQVQOGRWAN-MRVPVSSYSA-N 1 2 241.241 1.360 20 0 BDADLO CCC1(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000908547313 639009878 /nfs/dbraw/zinc/00/98/78/639009878.db2.gz BXAARYDLXBXJOL-UHFFFAOYSA-N 1 2 219.288 1.552 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908761425 639063204 /nfs/dbraw/zinc/06/32/04/639063204.db2.gz SLNJXCKPPKZTKV-LOWVWBTDSA-N 1 2 245.326 1.360 20 0 BDADLO C/C(Cl)=C\C(=O)NCCc1cn(C)c[nH+]1 ZINC000909856581 639233645 /nfs/dbraw/zinc/23/36/45/639233645.db2.gz OJZOWOHPGFFJAF-VMPITWQZSA-N 1 2 227.695 1.221 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(C)(C)C1 ZINC000909911979 639268246 /nfs/dbraw/zinc/26/82/46/639268246.db2.gz FWKVHIMXMGVBPA-UHFFFAOYSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)CNc2cccc[nH+]2)C[C@H]1C ZINC000910933930 639534297 /nfs/dbraw/zinc/53/42/97/639534297.db2.gz XDKDSCWEWMEHLS-IJLUTSLNSA-N 1 2 247.342 1.996 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C2CCCC2)C1 ZINC000911181803 639594621 /nfs/dbraw/zinc/59/46/21/639594621.db2.gz KPJRFLLIVDMWGG-GFCCVEGCSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H]1C[C@@H]1c1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000911424114 639647107 /nfs/dbraw/zinc/64/71/07/639647107.db2.gz ANRBAYYUDCNRCV-APPZFPTMSA-N 1 2 245.286 1.437 20 0 BDADLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CC(F)F ZINC000911497878 639656521 /nfs/dbraw/zinc/65/65/21/639656521.db2.gz KNDSXUCPIZPORI-ZETCQYMHSA-N 1 2 231.246 1.360 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911574826 639670934 /nfs/dbraw/zinc/67/09/34/639670934.db2.gz SBHROVBLYNNFOC-USYJTPIQSA-N 1 2 239.706 1.457 20 0 BDADLO c1cnc2c(c1)C[N@@H+](CCOC1CC1)C2 ZINC000930308289 639680868 /nfs/dbraw/zinc/68/08/68/639680868.db2.gz WBOXNXCBPOPCKN-UHFFFAOYSA-N 1 2 204.273 1.576 20 0 BDADLO c1cnc2c(c1)C[N@H+](CCOC1CC1)C2 ZINC000930308289 639680873 /nfs/dbraw/zinc/68/08/73/639680873.db2.gz WBOXNXCBPOPCKN-UHFFFAOYSA-N 1 2 204.273 1.576 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000930365734 639731202 /nfs/dbraw/zinc/73/12/02/639731202.db2.gz ZXDYUQIGKOGRAJ-ZDUSSCGKSA-N 1 2 238.306 1.605 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000930365734 639731207 /nfs/dbraw/zinc/73/12/07/639731207.db2.gz ZXDYUQIGKOGRAJ-ZDUSSCGKSA-N 1 2 238.306 1.605 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911719230 639742398 /nfs/dbraw/zinc/74/23/98/639742398.db2.gz GUAOBMCNYKLCSC-UHFFFAOYSA-N 1 2 225.368 1.288 20 0 BDADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)C1(C)CC1 ZINC000911718659 639744190 /nfs/dbraw/zinc/74/41/90/639744190.db2.gz JETTZVRKAWPRNX-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1nncs1 ZINC000930488932 639777566 /nfs/dbraw/zinc/77/75/66/639777566.db2.gz NEDNXDPMEKEFMY-MRVPVSSYSA-N 1 2 215.322 1.131 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1nncs1 ZINC000930488932 639777572 /nfs/dbraw/zinc/77/75/72/639777572.db2.gz NEDNXDPMEKEFMY-MRVPVSSYSA-N 1 2 215.322 1.131 20 0 BDADLO C[C@H](C1CC1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498298 639780969 /nfs/dbraw/zinc/78/09/69/639780969.db2.gz GMSUEBVKEQEJSO-SCZZXKLOSA-N 1 2 236.319 1.488 20 0 BDADLO C[C@H](C1CC1)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000930498298 639780980 /nfs/dbraw/zinc/78/09/80/639780980.db2.gz GMSUEBVKEQEJSO-SCZZXKLOSA-N 1 2 236.319 1.488 20 0 BDADLO CCC[C@]1(CO)CC[N@H+](Cc2nncs2)C1 ZINC000930504291 639787267 /nfs/dbraw/zinc/78/72/67/639787267.db2.gz IQHMAHCRPZCCFU-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO CCC[C@]1(CO)CC[N@@H+](Cc2nncs2)C1 ZINC000930504291 639787277 /nfs/dbraw/zinc/78/72/77/639787277.db2.gz IQHMAHCRPZCCFU-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO COC/C(C)=C\C[N@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930562212 639810963 /nfs/dbraw/zinc/81/09/63/639810963.db2.gz MXJPCJHDOOOEAS-YAEJEKNGSA-N 1 2 241.331 1.605 20 0 BDADLO COC/C(C)=C\C[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000930562212 639810965 /nfs/dbraw/zinc/81/09/65/639810965.db2.gz MXJPCJHDOOOEAS-YAEJEKNGSA-N 1 2 241.331 1.605 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1c(C)noc1CC ZINC000930560314 639811550 /nfs/dbraw/zinc/81/15/50/639811550.db2.gz LITMUFQIXMIEME-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1c(C)noc1CC ZINC000930560314 639811551 /nfs/dbraw/zinc/81/15/51/639811551.db2.gz LITMUFQIXMIEME-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2c(F)cncc2F)CC1 ZINC000930589206 639814835 /nfs/dbraw/zinc/81/48/35/639814835.db2.gz KBUYRIBEZCRJKU-SECBINFHSA-N 1 2 242.269 1.707 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2c(F)cncc2F)CC1 ZINC000930589206 639814836 /nfs/dbraw/zinc/81/48/36/639814836.db2.gz KBUYRIBEZCRJKU-SECBINFHSA-N 1 2 242.269 1.707 20 0 BDADLO COC[C@@]1(C)CC[N@H+](Cc2nncs2)C1 ZINC000930603039 639817338 /nfs/dbraw/zinc/81/73/38/639817338.db2.gz HHTOFUPJGJNXSU-JTQLQIEISA-N 1 2 227.333 1.397 20 0 BDADLO COC[C@@]1(C)CC[N@@H+](Cc2nncs2)C1 ZINC000930603039 639817339 /nfs/dbraw/zinc/81/73/39/639817339.db2.gz HHTOFUPJGJNXSU-JTQLQIEISA-N 1 2 227.333 1.397 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+](CC(F)F)C[C@H](C)O ZINC000930654505 639847235 /nfs/dbraw/zinc/84/72/35/639847235.db2.gz ORBWMSAASKNCLY-AEJSXWLSSA-N 1 2 221.291 1.980 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+](CC(F)F)C[C@H](C)O ZINC000930654505 639847240 /nfs/dbraw/zinc/84/72/40/639847240.db2.gz ORBWMSAASKNCLY-AEJSXWLSSA-N 1 2 221.291 1.980 20 0 BDADLO CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000911877409 639864932 /nfs/dbraw/zinc/86/49/32/639864932.db2.gz QIMDKLIAWJEMIA-GXSJLCMTSA-N 1 2 235.331 1.893 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C2CCC2)CC1 ZINC000911896896 639874941 /nfs/dbraw/zinc/87/49/41/639874941.db2.gz FHMPSMSTAUOJLS-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC=C(Cl)Cl ZINC000911966101 639911058 /nfs/dbraw/zinc/91/10/58/639911058.db2.gz YLKJMYANMUETPY-UHFFFAOYSA-N 1 2 248.113 1.696 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1C[C@@H]2CCCC[C@@H]21 ZINC000912070152 639946037 /nfs/dbraw/zinc/94/60/37/639946037.db2.gz USAOBRXHSLULAT-RYUDHWBXSA-N 1 2 245.326 1.895 20 0 BDADLO CC(C)[C@H](O)C[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930870181 639960365 /nfs/dbraw/zinc/96/03/65/639960365.db2.gz BTOOGSKEFKDTLJ-SKDRFNHKSA-N 1 2 229.320 1.077 20 0 BDADLO CC(C)[C@@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930870180 639962648 /nfs/dbraw/zinc/96/26/48/639962648.db2.gz BTOOGSKEFKDTLJ-JOYOIKCWSA-N 1 2 229.320 1.077 20 0 BDADLO CC1(C[NH2+][C@]2(C)CC(C)(C)OC2=O)COC1 ZINC000930870126 639962778 /nfs/dbraw/zinc/96/27/78/639962778.db2.gz AUNVZMBQLKSMSB-GFCCVEGCSA-N 1 2 227.304 1.097 20 0 BDADLO CC1CC(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000930966594 640001894 /nfs/dbraw/zinc/00/18/94/640001894.db2.gz YYIPMYOWVUGGHC-UDNWOFFPSA-N 1 2 219.275 1.734 20 0 BDADLO CC1CC(C[N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000930966594 640001898 /nfs/dbraw/zinc/00/18/98/640001898.db2.gz YYIPMYOWVUGGHC-UDNWOFFPSA-N 1 2 219.275 1.734 20 0 BDADLO COCC[N@H+](CCF)C/C(C)=C\C(=O)OC ZINC000930974685 640008799 /nfs/dbraw/zinc/00/87/99/640008799.db2.gz XQSOREDXZGMWLF-NTMALXAHSA-N 1 2 233.283 1.024 20 0 BDADLO COCC[N@@H+](CCF)C/C(C)=C\C(=O)OC ZINC000930974685 640008807 /nfs/dbraw/zinc/00/88/07/640008807.db2.gz XQSOREDXZGMWLF-NTMALXAHSA-N 1 2 233.283 1.024 20 0 BDADLO Cc1cnn(C)c1NC(=O)CNc1cccc[nH+]1 ZINC000912291739 640017436 /nfs/dbraw/zinc/01/74/36/640017436.db2.gz KFKUYTBNEHFPIM-UHFFFAOYSA-N 1 2 245.286 1.174 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140132 640074371 /nfs/dbraw/zinc/07/43/71/640074371.db2.gz GVDAGGMBRHGQCV-ZJUUUORDSA-N 1 2 224.308 1.103 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140132 640074379 /nfs/dbraw/zinc/07/43/79/640074379.db2.gz GVDAGGMBRHGQCV-ZJUUUORDSA-N 1 2 224.308 1.103 20 0 BDADLO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CS(=O)(=O)C1 ZINC000931232506 640104472 /nfs/dbraw/zinc/10/44/72/640104472.db2.gz ACDRESMKDGYUQA-PWSUYJOCSA-N 1 2 243.372 1.151 20 0 BDADLO C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CS(=O)(=O)C1 ZINC000931232506 640104480 /nfs/dbraw/zinc/10/44/80/640104480.db2.gz ACDRESMKDGYUQA-PWSUYJOCSA-N 1 2 243.372 1.151 20 0 BDADLO C[C@H](C[N@H+](C)C1CS(=O)(=O)C1)CC(C)(C)C ZINC000931234004 640108511 /nfs/dbraw/zinc/10/85/11/640108511.db2.gz PNRFHTLOJPHKPT-JTQLQIEISA-N 1 2 247.404 1.788 20 0 BDADLO C[C@H](C[N@@H+](C)C1CS(=O)(=O)C1)CC(C)(C)C ZINC000931234004 640108518 /nfs/dbraw/zinc/10/85/18/640108518.db2.gz PNRFHTLOJPHKPT-JTQLQIEISA-N 1 2 247.404 1.788 20 0 BDADLO O=C(CCC1(O)CCC1)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584764 640121941 /nfs/dbraw/zinc/12/19/41/640121941.db2.gz SIJWHNGBZSCCJX-SNVBAGLBSA-N 1 2 249.314 1.139 20 0 BDADLO C=C/C(C)=C\CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912614569 640135110 /nfs/dbraw/zinc/13/51/10/640135110.db2.gz ORTRAPUDONEUBJ-GULOHRGCSA-N 1 2 249.314 1.092 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912614570 640135356 /nfs/dbraw/zinc/13/53/56/640135356.db2.gz ORTRAPUDONEUBJ-IGLBNKAOSA-N 1 2 249.314 1.092 20 0 BDADLO CC/C=C(/F)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614404 640136785 /nfs/dbraw/zinc/13/67/85/640136785.db2.gz NYEUUWBTRZCTDV-BJMVGYQFSA-N 1 2 239.294 1.998 20 0 BDADLO C/C=C(\C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615818 640139674 /nfs/dbraw/zinc/13/96/74/640139674.db2.gz RCKOXNUYYLFQIJ-BJMVGYQFSA-N 1 2 221.304 1.701 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(CCC1CC1)CC1CC1 ZINC000912718636 640177764 /nfs/dbraw/zinc/17/77/64/640177764.db2.gz STLUQWAYSLRYIU-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)CNc1cccc[nH+]1 ZINC000912763153 640196475 /nfs/dbraw/zinc/19/64/75/640196475.db2.gz PNYLBFGMOMEZJF-NSHDSACASA-N 1 2 247.342 1.998 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)CNc1cccc[nH+]1 ZINC000912763152 640197364 /nfs/dbraw/zinc/19/73/64/640197364.db2.gz PNYLBFGMOMEZJF-LLVKDONJSA-N 1 2 247.342 1.998 20 0 BDADLO CC12CC(C1)CN2C(=O)CNc1cccc[nH+]1 ZINC000912769938 640199389 /nfs/dbraw/zinc/19/93/89/640199389.db2.gz JTRQKBBQUXLPRT-UHFFFAOYSA-N 1 2 231.299 1.504 20 0 BDADLO Cc1nocc1C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931462193 640224304 /nfs/dbraw/zinc/22/43/04/640224304.db2.gz KQCFKVXRHCORKJ-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1nocc1C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931462193 640224307 /nfs/dbraw/zinc/22/43/07/640224307.db2.gz KQCFKVXRHCORKJ-MRVPVSSYSA-N 1 2 232.287 1.825 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCC(F)(F)CC1 ZINC000912997523 640276792 /nfs/dbraw/zinc/27/67/92/640276792.db2.gz CKOCRWQISHEMRU-UHFFFAOYSA-N 1 2 243.257 1.600 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(C1CC1)C1CC1 ZINC000913012698 640281672 /nfs/dbraw/zinc/28/16/72/640281672.db2.gz GAUMQECAGVUNCW-UHFFFAOYSA-N 1 2 205.261 1.106 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccns1 ZINC000913057654 640295037 /nfs/dbraw/zinc/29/50/37/640295037.db2.gz QSPFTJQDMLBUMJ-ZETCQYMHSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccns1 ZINC000913057654 640295045 /nfs/dbraw/zinc/29/50/45/640295045.db2.gz QSPFTJQDMLBUMJ-ZETCQYMHSA-N 1 2 236.300 1.684 20 0 BDADLO CC1(C)CNC(=O)[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000931658366 640308189 /nfs/dbraw/zinc/30/81/89/640308189.db2.gz KOHJFYTWLNGKKF-FXHNIGACSA-N 1 2 237.130 1.420 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)o1 ZINC000931703904 640326702 /nfs/dbraw/zinc/32/67/02/640326702.db2.gz MHNULSANWQTRIP-CMPLNLGQSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)o1 ZINC000931703904 640326710 /nfs/dbraw/zinc/32/67/10/640326710.db2.gz MHNULSANWQTRIP-CMPLNLGQSA-N 1 2 249.314 1.084 20 0 BDADLO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000932262204 640462880 /nfs/dbraw/zinc/46/28/80/640462880.db2.gz TYSRQEKFJYQDDS-LBPRGKRZSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1ccno1 ZINC000932262204 640462885 /nfs/dbraw/zinc/46/28/85/640462885.db2.gz TYSRQEKFJYQDDS-LBPRGKRZSA-N 1 2 232.287 1.745 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932346528 640474931 /nfs/dbraw/zinc/47/49/31/640474931.db2.gz VKZIOOVQSHYNLM-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)CC1 ZINC000932346528 640474940 /nfs/dbraw/zinc/47/49/40/640474940.db2.gz VKZIOOVQSHYNLM-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000932341161 640484388 /nfs/dbraw/zinc/48/43/88/640484388.db2.gz QXFVGFZWKGPKIY-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCO[C@@H](C)CC1 ZINC000932341161 640484392 /nfs/dbraw/zinc/48/43/92/640484392.db2.gz QXFVGFZWKGPKIY-NSHDSACASA-N 1 2 223.320 1.514 20 0 BDADLO CCN(C#N)CC[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932353742 640497327 /nfs/dbraw/zinc/49/73/27/640497327.db2.gz ODFOXCLXGUJHTQ-GFCCVEGCSA-N 1 2 245.330 1.320 20 0 BDADLO CCC[N@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000156933089 640516571 /nfs/dbraw/zinc/51/65/71/640516571.db2.gz YDMTVYWAFYAAHI-UHFFFAOYSA-N 1 2 234.303 1.034 20 0 BDADLO CCC[N@@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000156933089 640516576 /nfs/dbraw/zinc/51/65/76/640516576.db2.gz YDMTVYWAFYAAHI-UHFFFAOYSA-N 1 2 234.303 1.034 20 0 BDADLO Nc1ccc(C(=O)OCCCn2cc[nH+]c2)nc1 ZINC000156928847 640519617 /nfs/dbraw/zinc/51/96/17/640519617.db2.gz VBNXAHJAFIFZRJ-UHFFFAOYSA-N 1 2 246.270 1.107 20 0 BDADLO CC(=O)NC1C[NH+](CCOc2ccc(C)cc2)C1 ZINC001030039473 640531856 /nfs/dbraw/zinc/53/18/56/640531856.db2.gz IBKXXHOOGLGANG-UHFFFAOYSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@H]1COC[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000932487880 640552541 /nfs/dbraw/zinc/55/25/41/640552541.db2.gz DDKDUJSPPGKNBE-WDSKDSINSA-N 1 2 233.218 1.132 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1C/C=C/Cl ZINC000156993894 640560188 /nfs/dbraw/zinc/56/01/88/640560188.db2.gz WOQTWBOYDFKIRV-MDCNRGEUSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1C/C=C/Cl ZINC000156993894 640560191 /nfs/dbraw/zinc/56/01/91/640560191.db2.gz WOQTWBOYDFKIRV-MDCNRGEUSA-N 1 2 219.712 1.211 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001030075183 640578475 /nfs/dbraw/zinc/57/84/75/640578475.db2.gz RQEBWFZXYNSYDF-BXUZGUMPSA-N 1 2 244.338 1.643 20 0 BDADLO CSCC1CC[NH+](Cc2nncn2C)CC1 ZINC000932591691 640580787 /nfs/dbraw/zinc/58/07/87/640580787.db2.gz SAVJJGVYIQGGID-UHFFFAOYSA-N 1 2 240.376 1.390 20 0 BDADLO CO[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000932611722 640585633 /nfs/dbraw/zinc/58/56/33/640585633.db2.gz AQZPVJFRXOOLHM-NXEZZACHSA-N 1 2 231.255 1.308 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC000932644026 640596978 /nfs/dbraw/zinc/59/69/78/640596978.db2.gz FQUWRXYTVZTTFY-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000932644026 640596984 /nfs/dbraw/zinc/59/69/84/640596984.db2.gz FQUWRXYTVZTTFY-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO CCOC(=O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932820170 640614888 /nfs/dbraw/zinc/61/48/88/640614888.db2.gz ZHIWMNFMIUCRAF-UHFFFAOYSA-N 1 2 241.331 1.177 20 0 BDADLO CCCNC(=O)CCC[N@@H+]1CCCC(=O)[C@H]1C ZINC000932848392 640621925 /nfs/dbraw/zinc/62/19/25/640621925.db2.gz HXHYFAAZSIBHQM-LLVKDONJSA-N 1 2 240.347 1.346 20 0 BDADLO CCCNC(=O)CCC[N@H+]1CCCC(=O)[C@H]1C ZINC000932848392 640621930 /nfs/dbraw/zinc/62/19/30/640621930.db2.gz HXHYFAAZSIBHQM-LLVKDONJSA-N 1 2 240.347 1.346 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2cc(C)n[nH]2)C1 ZINC001030133466 640623650 /nfs/dbraw/zinc/62/36/50/640623650.db2.gz RDHILRSOQKCBHE-UHFFFAOYSA-N 1 2 248.330 1.098 20 0 BDADLO CCCNc1cc(NC[C@@H](C)OC)nc[nH+]1 ZINC000224734768 640633513 /nfs/dbraw/zinc/63/35/13/640633513.db2.gz OKPCRIDZOAQETP-SECBINFHSA-N 1 2 224.308 1.745 20 0 BDADLO CCCNc1cc(NC[C@@H](C)OC)[nH+]cn1 ZINC000224734768 640633520 /nfs/dbraw/zinc/63/35/20/640633520.db2.gz OKPCRIDZOAQETP-SECBINFHSA-N 1 2 224.308 1.745 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@H](OCC)C2)n1 ZINC000932979359 640662051 /nfs/dbraw/zinc/66/20/51/640662051.db2.gz HJQRKHGQHBERIJ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@H](OCC)C2)n1 ZINC000932979359 640662056 /nfs/dbraw/zinc/66/20/56/640662056.db2.gz HJQRKHGQHBERIJ-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCOC(C)C ZINC000933162337 640672680 /nfs/dbraw/zinc/67/26/80/640672680.db2.gz VIRAPGUMVBBLMO-YPMHNXCESA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCOC(C)C ZINC000933162337 640672682 /nfs/dbraw/zinc/67/26/82/640672682.db2.gz VIRAPGUMVBBLMO-YPMHNXCESA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2ncccn2)[C@H](C)C1 ZINC000933166971 640672820 /nfs/dbraw/zinc/67/28/20/640672820.db2.gz FXPKUEBAEAQRCT-GHMZBOCLSA-N 1 2 249.314 1.250 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncccn2)[C@H](C)C1 ZINC000933166971 640672835 /nfs/dbraw/zinc/67/28/35/640672835.db2.gz FXPKUEBAEAQRCT-GHMZBOCLSA-N 1 2 249.314 1.250 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)c2ccn(C)c2)C1 ZINC001030215469 640688320 /nfs/dbraw/zinc/68/83/20/640688320.db2.gz TWBGAWAKVXMJAE-UHFFFAOYSA-N 1 2 247.342 1.405 20 0 BDADLO CCn1c[nH+]c2c1CCN(CC(F)(F)F)C2 ZINC000933262557 640691501 /nfs/dbraw/zinc/69/15/01/640691501.db2.gz RRQBYGHZCCKUSW-UHFFFAOYSA-N 1 2 233.237 1.823 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000225913698 640715481 /nfs/dbraw/zinc/71/54/81/640715481.db2.gz FILZFFUTJBMUCI-NSHDSACASA-N 1 2 243.347 1.423 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400891 640716526 /nfs/dbraw/zinc/71/65/26/640716526.db2.gz BUYXHTMKSJXGRW-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400891 640716531 /nfs/dbraw/zinc/71/65/31/640716531.db2.gz BUYXHTMKSJXGRW-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001030302192 640740284 /nfs/dbraw/zinc/74/02/84/640740284.db2.gz DQCHHYFILQMMRP-ONGXEEELSA-N 1 2 248.326 1.837 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H]2C2OCCO2)sn1 ZINC000933897666 640782550 /nfs/dbraw/zinc/78/25/50/640782550.db2.gz XPLVYKHNCWNXRN-SNVBAGLBSA-N 1 2 240.328 1.480 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H]2C2OCCO2)sn1 ZINC000933897666 640782553 /nfs/dbraw/zinc/78/25/53/640782553.db2.gz XPLVYKHNCWNXRN-SNVBAGLBSA-N 1 2 240.328 1.480 20 0 BDADLO Cc1cncc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933960702 640794271 /nfs/dbraw/zinc/79/42/71/640794271.db2.gz HCEYOSUDSIYRAQ-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO Cc1cncc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933960702 640794285 /nfs/dbraw/zinc/79/42/85/640794285.db2.gz HCEYOSUDSIYRAQ-UONOGXRCSA-N 1 2 248.326 1.380 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]2C(F)F)C1 ZINC001030432991 640857175 /nfs/dbraw/zinc/85/71/75/640857175.db2.gz UKLKTRKMYVRZAV-NXEZZACHSA-N 1 2 246.301 1.488 20 0 BDADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@H]2C)c1C ZINC000050449154 640907365 /nfs/dbraw/zinc/90/73/65/640907365.db2.gz CWYOLJQISCJMKZ-KCJUWKMLSA-N 1 2 248.326 1.979 20 0 BDADLO CC[C@H](C)C[N@@H+](C)Cn1ncn(C)c1=S ZINC000171890435 641021438 /nfs/dbraw/zinc/02/14/38/641021438.db2.gz FCQWRCWIFBSXDK-VIFPVBQESA-N 1 2 228.365 1.886 20 0 BDADLO CC[C@H](C)C[N@H+](C)Cn1ncn(C)c1=S ZINC000171890435 641021435 /nfs/dbraw/zinc/02/14/35/641021435.db2.gz FCQWRCWIFBSXDK-VIFPVBQESA-N 1 2 228.365 1.886 20 0 BDADLO CC[C@@H](C)C[N@H+](C)Cn1ncn(C)c1=S ZINC000171890433 641022397 /nfs/dbraw/zinc/02/23/97/641022397.db2.gz FCQWRCWIFBSXDK-SECBINFHSA-N 1 2 228.365 1.886 20 0 BDADLO CC[C@@H](C)C[N@@H+](C)Cn1ncn(C)c1=S ZINC000171890433 641022401 /nfs/dbraw/zinc/02/24/01/641022401.db2.gz FCQWRCWIFBSXDK-SECBINFHSA-N 1 2 228.365 1.886 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@@H](OC)C2)nc[nH+]1 ZINC000230379314 641050246 /nfs/dbraw/zinc/05/02/46/641050246.db2.gz AAINHHJAOCWABR-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@@H](C)[C@@H](OC)C2)[nH+]cn1 ZINC000230379314 641050247 /nfs/dbraw/zinc/05/02/47/641050247.db2.gz AAINHHJAOCWABR-ZJUUUORDSA-N 1 2 236.319 1.380 20 0 BDADLO CCCNc1cc(NCCCOC)nc[nH+]1 ZINC000087808475 641051238 /nfs/dbraw/zinc/05/12/38/641051238.db2.gz IEYMQZOZEKYGLG-UHFFFAOYSA-N 1 2 224.308 1.747 20 0 BDADLO CCCNc1cc(NCCCOC)[nH+]cn1 ZINC000087808475 641051241 /nfs/dbraw/zinc/05/12/41/641051241.db2.gz IEYMQZOZEKYGLG-UHFFFAOYSA-N 1 2 224.308 1.747 20 0 BDADLO CC[C@H](COC)Nc1cc(NC)[nH+]cn1 ZINC000087831226 641063163 /nfs/dbraw/zinc/06/31/63/641063163.db2.gz SQNIIVHHCQNQFR-MRVPVSSYSA-N 1 2 210.281 1.355 20 0 BDADLO CC[C@H](COC)Nc1cc(NC)nc[nH+]1 ZINC000087831226 641063166 /nfs/dbraw/zinc/06/31/66/641063166.db2.gz SQNIIVHHCQNQFR-MRVPVSSYSA-N 1 2 210.281 1.355 20 0 BDADLO CNc1cc(N[C@H](C)CCCO)[nH+]cn1 ZINC000087838831 641064933 /nfs/dbraw/zinc/06/49/33/641064933.db2.gz FRBZTYQJBRABTA-MRVPVSSYSA-N 1 2 210.281 1.091 20 0 BDADLO COC[C@H]([NH2+]CC(F)(F)C(F)F)C1CC1 ZINC000230618090 641073834 /nfs/dbraw/zinc/07/38/34/641073834.db2.gz WECGRCNYQGEBFA-ZETCQYMHSA-N 1 2 229.217 1.901 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nccn1C ZINC000934112775 641078014 /nfs/dbraw/zinc/07/80/14/641078014.db2.gz WSWBIJAGJFRZNR-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nccn1C ZINC000934112775 641078017 /nfs/dbraw/zinc/07/80/17/641078017.db2.gz WSWBIJAGJFRZNR-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ncc(C)cn1 ZINC000934116466 641083391 /nfs/dbraw/zinc/08/33/91/641083391.db2.gz WDRVWVSMSAQEOY-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ncc(C)cn1 ZINC000934116466 641083393 /nfs/dbraw/zinc/08/33/93/641083393.db2.gz WDRVWVSMSAQEOY-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934132905 641089483 /nfs/dbraw/zinc/08/94/83/641089483.db2.gz TVEUPBQVJIBTTR-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@H]2CC[C@H]2OC)n1 ZINC000934132905 641089486 /nfs/dbraw/zinc/08/94/86/641089486.db2.gz TVEUPBQVJIBTTR-VHSXEESVSA-N 1 2 239.319 1.631 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2cncs2)on1 ZINC000934193782 641097686 /nfs/dbraw/zinc/09/76/86/641097686.db2.gz MXSKECVVNJKVPJ-ZETCQYMHSA-N 1 2 239.300 1.991 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCOC12CCCC2)C(=O)OC ZINC000934390926 641138080 /nfs/dbraw/zinc/13/80/80/641138080.db2.gz LFKKAEXINQBEBG-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231276921 641151580 /nfs/dbraw/zinc/15/15/80/641151580.db2.gz ZKTWXMXCULAJPP-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231276921 641151587 /nfs/dbraw/zinc/15/15/87/641151587.db2.gz ZKTWXMXCULAJPP-VIFPVBQESA-N 1 2 241.722 1.334 20 0 BDADLO C[N@H+](C[C@H]1CCCO1)Cn1cc[nH]c1=S ZINC000173352941 641171988 /nfs/dbraw/zinc/17/19/88/641171988.db2.gz DFNGGGGGCHBISA-SECBINFHSA-N 1 2 227.333 1.614 20 0 BDADLO C[N@@H+](C[C@H]1CCCO1)Cn1cc[nH]c1=S ZINC000173352941 641171995 /nfs/dbraw/zinc/17/19/95/641171995.db2.gz DFNGGGGGCHBISA-SECBINFHSA-N 1 2 227.333 1.614 20 0 BDADLO CCc1cnc(CNc2cc(NC)[nH+]cn2)o1 ZINC000231689139 641195613 /nfs/dbraw/zinc/19/56/13/641195613.db2.gz HXYCLWRDZKIGBX-UHFFFAOYSA-N 1 2 233.275 1.681 20 0 BDADLO CCc1cnc(CNc2cc(NC)nc[nH+]2)o1 ZINC000231689139 641195619 /nfs/dbraw/zinc/19/56/19/641195619.db2.gz HXYCLWRDZKIGBX-UHFFFAOYSA-N 1 2 233.275 1.681 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934565980 641195978 /nfs/dbraw/zinc/19/59/78/641195978.db2.gz JGKLPIJDUUWDIL-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccncc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934565980 641195984 /nfs/dbraw/zinc/19/59/84/641195984.db2.gz JGKLPIJDUUWDIL-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934571170 641199975 /nfs/dbraw/zinc/19/99/75/641199975.db2.gz PNYMYMLXYZBQSB-FOGDFJRCSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934571170 641199982 /nfs/dbraw/zinc/19/99/82/641199982.db2.gz PNYMYMLXYZBQSB-FOGDFJRCSA-N 1 2 224.279 1.547 20 0 BDADLO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934584355 641210114 /nfs/dbraw/zinc/21/01/14/641210114.db2.gz XIBJIFGWCIGNAY-NXEZZACHSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)CC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934584355 641210117 /nfs/dbraw/zinc/21/01/17/641210117.db2.gz XIBJIFGWCIGNAY-NXEZZACHSA-N 1 2 247.310 1.123 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000232449860 641271914 /nfs/dbraw/zinc/27/19/14/641271914.db2.gz YCPPHJQSSXUTAC-UHFFFAOYSA-N 1 2 240.278 1.099 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000232449860 641271920 /nfs/dbraw/zinc/27/19/20/641271920.db2.gz YCPPHJQSSXUTAC-UHFFFAOYSA-N 1 2 240.278 1.099 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000232449640 641272567 /nfs/dbraw/zinc/27/25/67/641272567.db2.gz LONAKFUKUQBBNY-UHFFFAOYSA-N 1 2 240.278 1.051 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000232449640 641272574 /nfs/dbraw/zinc/27/25/74/641272574.db2.gz LONAKFUKUQBBNY-UHFFFAOYSA-N 1 2 240.278 1.051 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ncc(C)cc2C)C1 ZINC001030716042 641319355 /nfs/dbraw/zinc/31/93/55/641319355.db2.gz GGPKHXYXAQUAKC-UHFFFAOYSA-N 1 2 233.315 1.132 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@@H](C)C2)s1 ZINC000929461460 641323740 /nfs/dbraw/zinc/32/37/40/641323740.db2.gz IYWHSNFZGJUSRR-SSDOTTSWSA-N 1 2 213.306 1.389 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@@H](C)C2)s1 ZINC000929461460 641323737 /nfs/dbraw/zinc/32/37/37/641323737.db2.gz IYWHSNFZGJUSRR-SSDOTTSWSA-N 1 2 213.306 1.389 20 0 BDADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C2(C)CCC2)C1 ZINC001030796982 641357279 /nfs/dbraw/zinc/35/72/79/641357279.db2.gz MDKWBTYLOYUSNC-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](c1nc([C@@H]2CCO[C@@H](C)C2)no1)[NH+](C)C ZINC000350609415 641371516 /nfs/dbraw/zinc/37/15/16/641371516.db2.gz VCLVTXAHLMRILI-LPEHRKFASA-N 1 2 239.319 1.975 20 0 BDADLO C[C@]1(c2noc(CCn3cc[nH+]c3)n2)CCCO1 ZINC000350754394 641410195 /nfs/dbraw/zinc/41/01/95/641410195.db2.gz RRWSXPIALFBANA-GFCCVEGCSA-N 1 2 248.286 1.534 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@]12C[C@H]1CCC2 ZINC000935488235 641418269 /nfs/dbraw/zinc/41/82/69/641418269.db2.gz MCAUSKFUESHYAO-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001030917298 641420219 /nfs/dbraw/zinc/42/02/19/641420219.db2.gz ZCZBITSLAZCIHQ-UHFFFAOYSA-N 1 2 227.695 1.102 20 0 BDADLO CCC[C@H](O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000935759441 641476054 /nfs/dbraw/zinc/47/60/54/641476054.db2.gz KNXVITFUENXKRG-JTQLQIEISA-N 1 2 233.271 1.434 20 0 BDADLO CN(CCCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935820343 641490842 /nfs/dbraw/zinc/49/08/42/641490842.db2.gz KKVSCXLRGVIYBA-UHFFFAOYSA-N 1 2 233.271 1.017 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@H]1CCOC1 ZINC000929792813 641569165 /nfs/dbraw/zinc/56/91/65/641569165.db2.gz KMHYZBAEJVQVOZ-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@H]1CCOC1 ZINC000929792813 641569167 /nfs/dbraw/zinc/56/91/67/641569167.db2.gz KMHYZBAEJVQVOZ-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@]12C[C@H]1CCC2 ZINC000914197904 641613420 /nfs/dbraw/zinc/61/34/20/641613420.db2.gz NZTUCDKZNAPHPG-DMDPSCGWSA-N 1 2 248.330 1.513 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031048705 641645023 /nfs/dbraw/zinc/64/50/23/641645023.db2.gz VMUZUVONQOLZEQ-QWRGUYRKSA-N 1 2 242.338 1.583 20 0 BDADLO CCC[C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000914362745 641646044 /nfs/dbraw/zinc/64/60/44/641646044.db2.gz GJILPYGLDAMSRG-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](CF)C1 ZINC000914426207 641667563 /nfs/dbraw/zinc/66/75/63/641667563.db2.gz AURIBKQPAZNAPC-SNVBAGLBSA-N 1 2 225.267 1.091 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC000159338737 641677462 /nfs/dbraw/zinc/67/74/62/641677462.db2.gz DDFXAOGCRFUVIK-QMMMGPOBSA-N 1 2 234.259 1.086 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001031084678 641694854 /nfs/dbraw/zinc/69/48/54/641694854.db2.gz LQLACGHGDLVKID-NWDGAFQWSA-N 1 2 222.332 1.243 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001031103997 641702658 /nfs/dbraw/zinc/70/26/58/641702658.db2.gz BUMGAYUWUHDMHA-UHFFFAOYSA-N 1 2 248.326 1.438 20 0 BDADLO OCc1csc(SCCn2cc[nH+]c2)n1 ZINC000723388837 711509827 /nfs/dbraw/zinc/50/98/27/711509827.db2.gz JZCLDYCUGUXNBJ-UHFFFAOYSA-N 1 2 241.341 1.624 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031168775 641764319 /nfs/dbraw/zinc/76/43/19/641764319.db2.gz STMVNGJZIKUNNO-NEPJUHHUSA-N 1 2 242.338 1.439 20 0 BDADLO CC(=O)OC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000188865362 641771571 /nfs/dbraw/zinc/77/15/71/641771571.db2.gz YOZMAJYKDSCUEI-UHFFFAOYSA-N 1 2 236.271 1.670 20 0 BDADLO CC[C@@]1(C)C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031179592 641778370 /nfs/dbraw/zinc/77/83/70/641778370.db2.gz GUWMHYPTQREGCT-YPMHNXCESA-N 1 2 242.338 1.583 20 0 BDADLO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1=O ZINC000189491388 641810017 /nfs/dbraw/zinc/81/00/17/641810017.db2.gz OPCHWBBOAALDTN-GMTAPVOTSA-N 1 2 243.372 1.956 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CF)C1 ZINC000916110044 641907582 /nfs/dbraw/zinc/90/75/82/641907582.db2.gz RJSUIHKRRZKEGV-VIFPVBQESA-N 1 2 225.267 1.079 20 0 BDADLO c1ncc(C[NH2+]Cc2cccc3c2OCCO3)[nH]1 ZINC000078640677 641941112 /nfs/dbraw/zinc/94/11/12/641941112.db2.gz WZZBCGHTKCPOIT-UHFFFAOYSA-N 1 2 245.282 1.471 20 0 BDADLO CC(=O)NCC1C[NH+]([C@@H](C)c2ncc(C)o2)C1 ZINC001031504656 642236927 /nfs/dbraw/zinc/23/69/27/642236927.db2.gz LTSTWWAZRNOHBV-VIFPVBQESA-N 1 2 237.303 1.112 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)c1cccs1 ZINC001031526355 642275050 /nfs/dbraw/zinc/27/50/50/642275050.db2.gz RQMASZNTQMNDSX-UHFFFAOYSA-N 1 2 242.319 1.379 20 0 BDADLO COCC(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919152312 642303182 /nfs/dbraw/zinc/30/31/82/642303182.db2.gz ZEWUTDMYQMWQTC-UHFFFAOYSA-N 1 2 244.294 1.689 20 0 BDADLO C=CC[N@@H+](C)Cn1cc(Br)cn1 ZINC000154973602 642337120 /nfs/dbraw/zinc/33/71/20/642337120.db2.gz ZOCMKJHZVJHAMM-UHFFFAOYSA-N 1 2 230.109 1.721 20 0 BDADLO C=CC[N@H+](C)Cn1cc(Br)cn1 ZINC000154973602 642337132 /nfs/dbraw/zinc/33/71/32/642337132.db2.gz ZOCMKJHZVJHAMM-UHFFFAOYSA-N 1 2 230.109 1.721 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2CC2CC2)cn1 ZINC000933208136 642389120 /nfs/dbraw/zinc/38/91/20/642389120.db2.gz FAFFLZSYVHZTRH-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2CC2CC2)cn1 ZINC000933208136 642389122 /nfs/dbraw/zinc/38/91/22/642389122.db2.gz FAFFLZSYVHZTRH-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933209403 642390517 /nfs/dbraw/zinc/39/05/17/642390517.db2.gz FTOWXTYIAKCRMT-GFCCVEGCSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933209403 642390524 /nfs/dbraw/zinc/39/05/24/642390524.db2.gz FTOWXTYIAKCRMT-GFCCVEGCSA-N 1 2 235.331 1.421 20 0 BDADLO CC[C@H](C)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000891390730 642458449 /nfs/dbraw/zinc/45/84/49/642458449.db2.gz OTTGKPNTYKWZFE-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO CC[C@H](C)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000891390730 642458454 /nfs/dbraw/zinc/45/84/54/642458454.db2.gz OTTGKPNTYKWZFE-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO O=C1OCCN1C[N@@H+]1CCc2ccccc2C1 ZINC000920256062 642461629 /nfs/dbraw/zinc/46/16/29/642461629.db2.gz PJUVYLKEERFYNX-UHFFFAOYSA-N 1 2 232.283 1.454 20 0 BDADLO O=C1OCCN1C[N@H+]1CCc2ccccc2C1 ZINC000920256062 642461637 /nfs/dbraw/zinc/46/16/37/642461637.db2.gz PJUVYLKEERFYNX-UHFFFAOYSA-N 1 2 232.283 1.454 20 0 BDADLO CCc1cc(N[C@H](CC)CO)nc(CC)[nH+]1 ZINC000891413206 642491932 /nfs/dbraw/zinc/49/19/32/642491932.db2.gz MBHRVRGVKUPTHI-SNVBAGLBSA-N 1 2 223.320 1.784 20 0 BDADLO CCC/C=C\C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000920464536 642501322 /nfs/dbraw/zinc/50/13/22/642501322.db2.gz IMISXVKFDQVMCG-FJOGCWAESA-N 1 2 240.347 1.180 20 0 BDADLO CC[C@@H](CO)Nc1cc(NCC(C)C)[nH+]cn1 ZINC000891421488 642514621 /nfs/dbraw/zinc/51/46/21/642514621.db2.gz GDJCKDGORGGRNJ-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@@H](CO)Nc1cc(NCC(C)C)nc[nH+]1 ZINC000891421488 642514626 /nfs/dbraw/zinc/51/46/26/642514626.db2.gz GDJCKDGORGGRNJ-JTQLQIEISA-N 1 2 238.335 1.727 20 0 BDADLO COC[C@H]1C[C@@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000921357958 642604243 /nfs/dbraw/zinc/60/42/43/642604243.db2.gz VDSDKNNFYGNFFU-PHIMTYICSA-N 1 2 249.314 1.035 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)OC(C)C ZINC000921435308 642624407 /nfs/dbraw/zinc/62/44/07/642624407.db2.gz YASNVXACEHLNMR-LLVKDONJSA-N 1 2 244.335 1.232 20 0 BDADLO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccn[nH]1 ZINC000305733104 642684180 /nfs/dbraw/zinc/68/41/80/642684180.db2.gz KZYWCPXYYCDWIN-KOLCDFICSA-N 1 2 235.287 1.605 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649821229 642702271 /nfs/dbraw/zinc/70/22/71/642702271.db2.gz AYYJJRFURNYPSE-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649821229 642702282 /nfs/dbraw/zinc/70/22/82/642702282.db2.gz AYYJJRFURNYPSE-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccsc1 ZINC001010066176 642849320 /nfs/dbraw/zinc/84/93/20/642849320.db2.gz FPIFADNXUHHTLB-SNVBAGLBSA-N 1 2 242.319 1.522 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccsc1 ZINC001010066176 642849326 /nfs/dbraw/zinc/84/93/26/642849326.db2.gz FPIFADNXUHHTLB-SNVBAGLBSA-N 1 2 242.319 1.522 20 0 BDADLO CCC[C@@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181631147 642891193 /nfs/dbraw/zinc/89/11/93/642891193.db2.gz XRVZZUUNOMDBEU-NEPJUHHUSA-N 1 2 243.347 1.687 20 0 BDADLO O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001015342418 642897984 /nfs/dbraw/zinc/89/79/84/642897984.db2.gz OVDJMULKCMRQEM-NTZNESFSSA-N 1 2 240.322 1.337 20 0 BDADLO O=C(N[C@H]1CC[N@H+](CCF)C1)[C@]12C[C@H]1CCC2 ZINC001015342418 642897985 /nfs/dbraw/zinc/89/79/85/642897985.db2.gz OVDJMULKCMRQEM-NTZNESFSSA-N 1 2 240.322 1.337 20 0 BDADLO CC#CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181976398 642935568 /nfs/dbraw/zinc/93/55/68/642935568.db2.gz HANHWFBFLCKMCQ-CYBMUJFWSA-N 1 2 231.295 1.856 20 0 BDADLO CC[C@@H](COC)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000070656486 643057443 /nfs/dbraw/zinc/05/74/43/643057443.db2.gz LQCQZSXQGZAGJW-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO Fc1ccc2c(c1)C[N@@H+](Cn1cnnc1)CC2 ZINC000182610130 643045269 /nfs/dbraw/zinc/04/52/69/643045269.db2.gz QCPZEYZFWJVATP-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1ccc2c(c1)C[N@H+](Cn1cnnc1)CC2 ZINC000182610130 643045277 /nfs/dbraw/zinc/04/52/77/643045277.db2.gz QCPZEYZFWJVATP-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO CCC1(CC)C[N@H+](CCC(C)=O)CC[S@@]1=O ZINC000185268075 643282489 /nfs/dbraw/zinc/28/24/89/643282489.db2.gz MUTPNTNWQQQOAR-INIZCTEOSA-N 1 2 245.388 1.589 20 0 BDADLO CCC1(CC)C[N@@H+](CCC(C)=O)CC[S@@]1=O ZINC000185268075 643282495 /nfs/dbraw/zinc/28/24/95/643282495.db2.gz MUTPNTNWQQQOAR-INIZCTEOSA-N 1 2 245.388 1.589 20 0 BDADLO C/C=C/C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082275518 643291943 /nfs/dbraw/zinc/29/19/43/643291943.db2.gz JXZPHCKEYVFVFV-FWEMWIAWSA-N 1 2 219.288 1.623 20 0 BDADLO CON(C)C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000091509772 643330329 /nfs/dbraw/zinc/33/03/29/643330329.db2.gz HHEHFGWFVOXVFX-SECBINFHSA-N 1 2 226.276 1.292 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000091509772 643330333 /nfs/dbraw/zinc/33/03/33/643330333.db2.gz HHEHFGWFVOXVFX-SECBINFHSA-N 1 2 226.276 1.292 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC000082791750 643382011 /nfs/dbraw/zinc/38/20/11/643382011.db2.gz WWCQHJONYWJXDK-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2c(C)cccc2C1 ZINC000082791750 643382015 /nfs/dbraw/zinc/38/20/15/643382015.db2.gz WWCQHJONYWJXDK-NSHDSACASA-N 1 2 233.311 1.915 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CC=C(COC)CC1 ZINC000185807902 643392094 /nfs/dbraw/zinc/39/20/94/643392094.db2.gz HZFWIEAAPFMNKP-LLVKDONJSA-N 1 2 241.331 1.607 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC=C(COC)CC1 ZINC000185807902 643392097 /nfs/dbraw/zinc/39/20/97/643392097.db2.gz HZFWIEAAPFMNKP-LLVKDONJSA-N 1 2 241.331 1.607 20 0 BDADLO C/C(=C/C(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000733984548 643486277 /nfs/dbraw/zinc/48/62/77/643486277.db2.gz YOIYXLALZMNCIG-POHAHGRESA-N 1 2 231.299 1.623 20 0 BDADLO O=C(C1=COCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000734125903 643491592 /nfs/dbraw/zinc/49/15/92/643491592.db2.gz JTSUXVXIIJYKBM-SNVBAGLBSA-N 1 2 247.298 1.420 20 0 BDADLO O=C(/C=C/C1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC001032331078 643514056 /nfs/dbraw/zinc/51/40/56/643514056.db2.gz TWWWAKWASWHFEY-QSKOYVBTSA-N 1 2 238.306 1.207 20 0 BDADLO O=C(/C=C/C1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC001032331078 643514064 /nfs/dbraw/zinc/51/40/64/643514064.db2.gz TWWWAKWASWHFEY-QSKOYVBTSA-N 1 2 238.306 1.207 20 0 BDADLO FCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000307673471 643565764 /nfs/dbraw/zinc/56/57/64/643565764.db2.gz ZYQNOWRRSLAIGL-UHFFFAOYSA-N 1 2 222.061 1.231 20 0 BDADLO Cn1nc2c(c1CNc1cccc[nH+]1)COCC2 ZINC000921563384 643610141 /nfs/dbraw/zinc/61/01/41/643610141.db2.gz OLTLAUQLJYOQGJ-UHFFFAOYSA-N 1 2 244.298 1.500 20 0 BDADLO CC(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC000970916688 643612562 /nfs/dbraw/zinc/61/25/62/643612562.db2.gz TZOIRPPDOADMPF-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC000970916688 643612565 /nfs/dbraw/zinc/61/25/65/643612565.db2.gz TZOIRPPDOADMPF-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccsc1 ZINC000788079871 643780493 /nfs/dbraw/zinc/78/04/93/643780493.db2.gz GKVHHZHGKCHFRQ-JTQLQIEISA-N 1 2 243.303 1.949 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccsc1 ZINC000788079871 643780495 /nfs/dbraw/zinc/78/04/95/643780495.db2.gz GKVHHZHGKCHFRQ-JTQLQIEISA-N 1 2 243.303 1.949 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccsc1 ZINC000788079872 643780919 /nfs/dbraw/zinc/78/09/19/643780919.db2.gz GKVHHZHGKCHFRQ-SNVBAGLBSA-N 1 2 243.303 1.949 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccsc1 ZINC000788079872 643780921 /nfs/dbraw/zinc/78/09/21/643780921.db2.gz GKVHHZHGKCHFRQ-SNVBAGLBSA-N 1 2 243.303 1.949 20 0 BDADLO CC(C)OCCC(=O)OCc1c[nH+]cn1C ZINC000085988805 643882443 /nfs/dbraw/zinc/88/24/43/643882443.db2.gz XTQIZPMYDFVRKU-UHFFFAOYSA-N 1 2 226.276 1.278 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922181075 643893719 /nfs/dbraw/zinc/89/37/19/643893719.db2.gz MDGKNQWDPGCEAB-CBAPKCEASA-N 1 2 206.245 1.363 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922180521 643894864 /nfs/dbraw/zinc/89/48/64/643894864.db2.gz DCYYFSAKTYIGRO-IONNQARKSA-N 1 2 206.245 1.363 20 0 BDADLO OCc1cccnc1NCc1c[nH+]c2n1CCC2 ZINC000922290233 643956495 /nfs/dbraw/zinc/95/64/95/643956495.db2.gz QUBLZJWMGREOBK-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO Cc1cc(C(=O)OCc2ccc(N)[nH+]c2)n(C)n1 ZINC000922374516 643983566 /nfs/dbraw/zinc/98/35/66/643983566.db2.gz RROAJJWBIHXDCG-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO CC[C@H](OC)C(=O)OCc1ccc[nH+]c1N ZINC000922395901 643985094 /nfs/dbraw/zinc/98/50/94/643985094.db2.gz DVGLEZOXDOKKMS-VIFPVBQESA-N 1 2 224.260 1.132 20 0 BDADLO CCOCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922411999 643988719 /nfs/dbraw/zinc/98/87/19/643988719.db2.gz HEXSAYBBFPSBNW-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO CCOCCC(=O)OCc1ccc[nH+]c1N ZINC000922412510 643989193 /nfs/dbraw/zinc/98/91/93/643989193.db2.gz IPTKHYWKCSLAMK-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO c1ncc(C[NH2+]Cc2nccc3c2CCCC3)[nH]1 ZINC000922463286 643997924 /nfs/dbraw/zinc/99/79/24/643997924.db2.gz MQYRVSCBKQVORV-UHFFFAOYSA-N 1 2 242.326 1.973 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(N)nc1 ZINC000922473506 643998997 /nfs/dbraw/zinc/99/89/97/643998997.db2.gz FICFDHAYTVVQRK-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(N)nc1 ZINC000922473506 643999001 /nfs/dbraw/zinc/99/90/01/643999001.db2.gz FICFDHAYTVVQRK-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO CCc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)nc1 ZINC000922476926 644000163 /nfs/dbraw/zinc/00/01/63/644000163.db2.gz OAUANIAKWQEMMT-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO CC[C@H](C)[C@@H](O)C(=O)OCc1ccc[nH+]c1N ZINC000922511631 644009125 /nfs/dbraw/zinc/00/91/25/644009125.db2.gz WIDJFPMVEUPLEI-WCBMZHEXSA-N 1 2 238.287 1.114 20 0 BDADLO CCC1(C(=O)OCc2ccc(N)[nH+]c2)COC1 ZINC000922521253 644012916 /nfs/dbraw/zinc/01/29/16/644012916.db2.gz XDLFPVXCVNYPOD-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO Nc1ccc(COC(=O)[C@H]2CCSC2)c[nH+]1 ZINC000922529320 644017133 /nfs/dbraw/zinc/01/71/33/644017133.db2.gz CYYOGBBIBHSIPG-VIFPVBQESA-N 1 2 238.312 1.460 20 0 BDADLO CC1=C(C(=O)OCc2ccc[nH+]c2N)CCCO1 ZINC000922559790 644020536 /nfs/dbraw/zinc/02/05/36/644020536.db2.gz HHMOQXOZCDKJLU-UHFFFAOYSA-N 1 2 248.282 1.791 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922583496 644034131 /nfs/dbraw/zinc/03/41/31/644034131.db2.gz UDRRAGBJTXFRNF-SCZZXKLOSA-N 1 2 236.271 1.132 20 0 BDADLO Nc1ccc(COC(=O)C2(F)CCCC2)c[nH+]1 ZINC000922623227 644043449 /nfs/dbraw/zinc/04/34/49/644043449.db2.gz HCMWWNYPBDSUTH-UHFFFAOYSA-N 1 2 238.262 1.989 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1cn(C)nn1 ZINC000922634561 644047834 /nfs/dbraw/zinc/04/78/34/644047834.db2.gz IUPKDTYJKDRIPR-MRVPVSSYSA-N 1 2 249.293 1.387 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922776978 644092994 /nfs/dbraw/zinc/09/29/94/644092994.db2.gz WGORFOVGTSMPFN-PSASIEDQSA-N 1 2 220.272 1.753 20 0 BDADLO C[C@@]1(C[NH2+]Cc2ccn[nH]2)CCCCO1 ZINC000922816700 644107064 /nfs/dbraw/zinc/10/70/64/644107064.db2.gz JYTXUWQRBDSXMX-NSHDSACASA-N 1 2 209.293 1.459 20 0 BDADLO Nc1[nH+]cccc1COC(=O)CCCF ZINC000922869993 644124350 /nfs/dbraw/zinc/12/43/50/644124350.db2.gz LYEKBRVBANVSHM-UHFFFAOYSA-N 1 2 212.224 1.457 20 0 BDADLO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc[nH]n1 ZINC000922948442 644199257 /nfs/dbraw/zinc/19/92/57/644199257.db2.gz SJLWMBPERVUKEE-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO Cn1nc(C[NH2+]Cc2cncnc2)cc1C1CC1 ZINC000922956919 644200024 /nfs/dbraw/zinc/20/00/24/644200024.db2.gz FGHRSBQILIOAQT-UHFFFAOYSA-N 1 2 243.314 1.377 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cncc(O)c2)s1 ZINC000922976482 644205692 /nfs/dbraw/zinc/20/56/92/644205692.db2.gz XLAMUHQHSOEQOL-UHFFFAOYSA-N 1 2 235.312 1.842 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(F)(F)F)C[C@H]1C ZINC000081573669 644334848 /nfs/dbraw/zinc/33/48/48/644334848.db2.gz SZSBYTUCDVSHJM-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(F)(F)F)C[C@H]1C ZINC000081573669 644334850 /nfs/dbraw/zinc/33/48/50/644334850.db2.gz SZSBYTUCDVSHJM-SSDOTTSWSA-N 1 2 224.226 1.101 20 0 BDADLO C/C=C(/C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081776573 644346096 /nfs/dbraw/zinc/34/60/96/644346096.db2.gz HTFUQDHVYZRSTG-BJIOATRMSA-N 1 2 221.304 1.602 20 0 BDADLO O=C(NC[C@H]1CCCO1)c1cccc2[nH+]ccn21 ZINC000082302916 644366215 /nfs/dbraw/zinc/36/62/15/644366215.db2.gz KCEDNDRNDVUMDD-SNVBAGLBSA-N 1 2 245.282 1.243 20 0 BDADLO COCC[NH+](CCOC)Cn1cc(Cl)cn1 ZINC000083104648 644400679 /nfs/dbraw/zinc/40/06/79/644400679.db2.gz UPWCYMCRZPAJIK-UHFFFAOYSA-N 1 2 247.726 1.089 20 0 BDADLO Cc1nn(C)c(C[N@@H+](CCO)C(C)C)c1Cl ZINC000084275456 644423481 /nfs/dbraw/zinc/42/34/81/644423481.db2.gz JAZSLANFNZLJMP-UHFFFAOYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1nn(C)c(C[N@H+](CCO)C(C)C)c1Cl ZINC000084275456 644423486 /nfs/dbraw/zinc/42/34/86/644423486.db2.gz JAZSLANFNZLJMP-UHFFFAOYSA-N 1 2 245.754 1.585 20 0 BDADLO CCn1ncnc1CNc1ccc([NH+](C)C)cc1 ZINC000088589462 644524635 /nfs/dbraw/zinc/52/46/35/644524635.db2.gz JNKHQVXWTARIKU-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CO[C@H](C)CC(=O)NCCNc1cccc[nH+]1 ZINC000749726865 644593686 /nfs/dbraw/zinc/59/36/86/644593686.db2.gz RQRFLGCTUWESTL-SNVBAGLBSA-N 1 2 237.303 1.035 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246652932 644601095 /nfs/dbraw/zinc/60/10/95/644601095.db2.gz IPTDJJCBFPYBCS-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246652932 644601099 /nfs/dbraw/zinc/60/10/99/644601099.db2.gz IPTDJJCBFPYBCS-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ncn(C)n1 ZINC000090969252 644609098 /nfs/dbraw/zinc/60/90/98/644609098.db2.gz VNPCBEBKXBGZOY-VIFPVBQESA-N 1 2 242.392 1.825 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)co1 ZINC000091928227 644641961 /nfs/dbraw/zinc/64/19/61/644641961.db2.gz HAJXCGJEJMOXBZ-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)co1 ZINC000091928227 644641962 /nfs/dbraw/zinc/64/19/62/644641962.db2.gz HAJXCGJEJMOXBZ-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO CCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC000760138113 644645529 /nfs/dbraw/zinc/64/55/29/644645529.db2.gz CCVICEBENJSIAE-UHFFFAOYSA-N 1 2 247.298 1.179 20 0 BDADLO CCOC(=O)CC[N@H+](Cc1cnc[nH]1)C1CC1 ZINC000092532274 644662624 /nfs/dbraw/zinc/66/26/24/644662624.db2.gz HUMMHXLZSSHYIM-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)CC[N@@H+](Cc1cnc[nH]1)C1CC1 ZINC000092532274 644662628 /nfs/dbraw/zinc/66/26/28/644662628.db2.gz HUMMHXLZSSHYIM-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO CCOCC[N@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000092884978 644671137 /nfs/dbraw/zinc/67/11/37/644671137.db2.gz IWXRZCSVUZUIMT-UHFFFAOYSA-N 1 2 242.363 1.559 20 0 BDADLO CCOCC[N@@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000092884978 644671138 /nfs/dbraw/zinc/67/11/38/644671138.db2.gz IWXRZCSVUZUIMT-UHFFFAOYSA-N 1 2 242.363 1.559 20 0 BDADLO O=C1C[N@H+](C/C=C/c2ccc(F)cc2)CCCN1 ZINC000769113081 644679076 /nfs/dbraw/zinc/67/90/76/644679076.db2.gz AKERAEFEWWSRDA-HNQUOIGGSA-N 1 2 248.301 1.661 20 0 BDADLO O=C1C[N@@H+](C/C=C/c2ccc(F)cc2)CCCN1 ZINC000769113081 644679080 /nfs/dbraw/zinc/67/90/80/644679080.db2.gz AKERAEFEWWSRDA-HNQUOIGGSA-N 1 2 248.301 1.661 20 0 BDADLO CC/C=C(\C)C(=O)OCCn1cc[nH+]c1 ZINC000771872589 644690652 /nfs/dbraw/zinc/69/06/52/644690652.db2.gz GOWLAIXXUMZUKV-ONNFQVAWSA-N 1 2 208.261 1.783 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213137 644710833 /nfs/dbraw/zinc/71/08/33/644710833.db2.gz CMRXDMNQPVVENL-JTQLQIEISA-N 1 2 219.288 1.280 20 0 BDADLO CCc1nc(C(=O)OCCc2c[nH+]cn2C)co1 ZINC000793241593 644801332 /nfs/dbraw/zinc/80/13/32/644801332.db2.gz KFXIZSILMMGBDQ-UHFFFAOYSA-N 1 2 249.270 1.370 20 0 BDADLO CC(C)[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793237975 644801424 /nfs/dbraw/zinc/80/14/24/644801424.db2.gz LWSOADCGOSURPK-JTQLQIEISA-N 1 2 224.304 1.798 20 0 BDADLO CC[C@H](SC)C(=O)OCCc1c[nH+]cn1C ZINC000793238522 644801992 /nfs/dbraw/zinc/80/19/92/644801992.db2.gz PDIWVXMHCVRFJT-JTQLQIEISA-N 1 2 242.344 1.647 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/[C@@H]1CCCO1 ZINC000819111305 645005030 /nfs/dbraw/zinc/00/50/30/645005030.db2.gz NSNYZXJFXHZEGR-RVAOTSRCSA-N 1 2 249.314 1.123 20 0 BDADLO CCn1nc(C)c(COc2cc[nH+]cc2)n1 ZINC000842043154 645238316 /nfs/dbraw/zinc/23/83/16/645238316.db2.gz GQDMRTMPUSJLCA-UHFFFAOYSA-N 1 2 218.260 1.580 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H](C)CCC ZINC000844380944 645325719 /nfs/dbraw/zinc/32/57/19/645325719.db2.gz YMLYAZRFIZPZAW-SDDRHHMPSA-N 1 2 245.363 1.715 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2C(=O)NCC2(C)C)c1 ZINC000926662734 645341848 /nfs/dbraw/zinc/34/18/48/645341848.db2.gz SJJKVYMRQPHHPP-LLVKDONJSA-N 1 2 249.314 1.165 20 0 BDADLO C[N@H+](CN1C(=O)CC12CCCC2)[C@H]1CCOC1 ZINC000844693104 645344914 /nfs/dbraw/zinc/34/49/14/645344914.db2.gz SZFUSYXUQRLYAM-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO C[N@@H+](CN1C(=O)CC12CCCC2)[C@H]1CCOC1 ZINC000844693104 645344918 /nfs/dbraw/zinc/34/49/18/645344918.db2.gz SZFUSYXUQRLYAM-NSHDSACASA-N 1 2 238.331 1.210 20 0 BDADLO COC(=O)N(C)CC[NH2+][C@H](C)c1ncco1 ZINC000926711754 645375296 /nfs/dbraw/zinc/37/52/96/645375296.db2.gz JTZAJZMZHFVEGW-MRVPVSSYSA-N 1 2 227.264 1.023 20 0 BDADLO c1nonc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000852203450 645474462 /nfs/dbraw/zinc/47/44/62/645474462.db2.gz CJGWDMXDSCGPOJ-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO c1nonc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000852203450 645474475 /nfs/dbraw/zinc/47/44/75/645474475.db2.gz CJGWDMXDSCGPOJ-ZDUSSCGKSA-N 1 2 245.282 1.723 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ncco1 ZINC000926892268 645476361 /nfs/dbraw/zinc/47/63/61/645476361.db2.gz ISRKULJBEUZUTH-GUBZILKMSA-N 1 2 209.293 1.418 20 0 BDADLO CCCc1ncc(CNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC000854849340 645512427 /nfs/dbraw/zinc/51/24/27/645512427.db2.gz PDDSMKSSTOGLBR-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCO[C@H]1CCOC1 ZINC000927086619 645542035 /nfs/dbraw/zinc/54/20/35/645542035.db2.gz XEWPGLQKBAMMHV-KOLCDFICSA-N 1 2 239.319 1.174 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(O)c1 ZINC000857428989 645554229 /nfs/dbraw/zinc/55/42/29/645554229.db2.gz PIGUQTTZNBWISS-UHFFFAOYSA-N 1 2 217.228 1.297 20 0 BDADLO COCCC1(C(=O)NCc2ccc(N)[nH+]c2)CC1 ZINC000927777557 645654872 /nfs/dbraw/zinc/65/48/72/645654872.db2.gz WMLUNKOBUPMMHA-UHFFFAOYSA-N 1 2 249.314 1.097 20 0 BDADLO Nc1ccc(CNC(=O)CC2CCOCC2)c[nH+]1 ZINC000927777997 645655495 /nfs/dbraw/zinc/65/54/95/645655495.db2.gz GOUOFFLTJXYMPO-UHFFFAOYSA-N 1 2 249.314 1.097 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000928040655 645684525 /nfs/dbraw/zinc/68/45/25/645684525.db2.gz QXZYKQJTVBSHGU-XUEURGHRSA-N 1 2 247.342 1.749 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000928040655 645684530 /nfs/dbraw/zinc/68/45/30/645684530.db2.gz QXZYKQJTVBSHGU-XUEURGHRSA-N 1 2 247.342 1.749 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000930270275 645703061 /nfs/dbraw/zinc/70/30/61/645703061.db2.gz NBUGKGIVAORWER-RISCZKNCSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000930270275 645703070 /nfs/dbraw/zinc/70/30/70/645703070.db2.gz NBUGKGIVAORWER-RISCZKNCSA-N 1 2 249.358 1.728 20 0 BDADLO C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491679 645815003 /nfs/dbraw/zinc/81/50/03/645815003.db2.gz QIPIBAXRUAGTJK-JTQLQIEISA-N 1 2 248.330 1.122 20 0 BDADLO C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCc2nn[nH]c2C1 ZINC000878491679 645815007 /nfs/dbraw/zinc/81/50/07/645815007.db2.gz QIPIBAXRUAGTJK-JTQLQIEISA-N 1 2 248.330 1.122 20 0 BDADLO CC(C)(/C=C\Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC000928926040 645896311 /nfs/dbraw/zinc/89/63/11/645896311.db2.gz BRDYDCLGGSJXIO-ARJAWSKDSA-N 1 2 227.695 1.600 20 0 BDADLO CC(=O)NC(C)(C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000924053780 645973089 /nfs/dbraw/zinc/97/30/89/645973089.db2.gz PGUWQQNJIDIBET-SSDOTTSWSA-N 1 2 240.307 1.063 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000929188934 645993171 /nfs/dbraw/zinc/99/31/71/645993171.db2.gz MLGQVXXYOAZHAA-MMRAYRKESA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000929188934 645993176 /nfs/dbraw/zinc/99/31/76/645993176.db2.gz MLGQVXXYOAZHAA-MMRAYRKESA-N 1 2 248.326 1.984 20 0 BDADLO C(c1[nH]nc2c1COCC2)[NH+]1CCSCC1 ZINC000929276591 646057016 /nfs/dbraw/zinc/05/70/16/646057016.db2.gz MLMLXLIMHIJJTA-UHFFFAOYSA-N 1 2 239.344 1.031 20 0 BDADLO Cc1[nH]c(CN2CCSCC2)c(C)[nH+]1 ZINC000929276974 646057235 /nfs/dbraw/zinc/05/72/35/646057235.db2.gz ORBAFONZRGYSCO-UHFFFAOYSA-N 1 2 211.334 1.575 20 0 BDADLO COc1nnc(C[N@H+](C)CC2CC2)s1 ZINC000929289401 646063666 /nfs/dbraw/zinc/06/36/66/646063666.db2.gz ANFUOMYUBNVRRM-UHFFFAOYSA-N 1 2 213.306 1.389 20 0 BDADLO COc1nnc(C[N@@H+](C)CC2CC2)s1 ZINC000929289401 646063673 /nfs/dbraw/zinc/06/36/73/646063673.db2.gz ANFUOMYUBNVRRM-UHFFFAOYSA-N 1 2 213.306 1.389 20 0 BDADLO CC[N@H+](CC(=O)NC)[C@H](C)c1ccc(F)nc1 ZINC000929320501 646080176 /nfs/dbraw/zinc/08/01/76/646080176.db2.gz XHGDRMDOQOFACS-SECBINFHSA-N 1 2 239.294 1.350 20 0 BDADLO CC[N@@H+](CC(=O)NC)[C@H](C)c1ccc(F)nc1 ZINC000929320501 646080183 /nfs/dbraw/zinc/08/01/83/646080183.db2.gz XHGDRMDOQOFACS-SECBINFHSA-N 1 2 239.294 1.350 20 0 BDADLO C[C@H](N[C@H]1CC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955221 646141839 /nfs/dbraw/zinc/14/18/39/646141839.db2.gz NTOHLPLVGJPAHF-RYUDHWBXSA-N 1 2 248.374 1.963 20 0 BDADLO C[C@H](N[C@H]1CC[N@@H+](C)C1)c1ccnn1C1CCC1 ZINC000924955221 646141844 /nfs/dbraw/zinc/14/18/44/646141844.db2.gz NTOHLPLVGJPAHF-RYUDHWBXSA-N 1 2 248.374 1.963 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cc1nnc(OC)s1 ZINC000929492685 646149097 /nfs/dbraw/zinc/14/90/97/646149097.db2.gz QTXJLAZWQIOZFQ-QMMMGPOBSA-N 1 2 227.333 1.921 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cc1nnc(OC)s1 ZINC000929492685 646149100 /nfs/dbraw/zinc/14/91/00/646149100.db2.gz QTXJLAZWQIOZFQ-QMMMGPOBSA-N 1 2 227.333 1.921 20 0 BDADLO OCC[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929513731 646161806 /nfs/dbraw/zinc/16/18/06/646161806.db2.gz MXVRHHXSYCFLKA-SECBINFHSA-N 1 2 227.333 1.275 20 0 BDADLO OCC[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929513731 646161811 /nfs/dbraw/zinc/16/18/11/646161811.db2.gz MXVRHHXSYCFLKA-SECBINFHSA-N 1 2 227.333 1.275 20 0 BDADLO CC[S@@](=O)CC[NH2+][C@H](C)c1ncco1 ZINC000925043537 646164845 /nfs/dbraw/zinc/16/48/45/646164845.db2.gz IUMILDBZFDZHBZ-XLKFXECMSA-N 1 2 216.306 1.094 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@H]1CCCOC1 ZINC000929608919 646199138 /nfs/dbraw/zinc/19/91/38/646199138.db2.gz UDEBVTILPPGUSK-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@H]1CCCOC1 ZINC000929608919 646199142 /nfs/dbraw/zinc/19/91/42/646199142.db2.gz UDEBVTILPPGUSK-SECBINFHSA-N 1 2 227.333 1.397 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000929680130 646238156 /nfs/dbraw/zinc/23/81/56/646238156.db2.gz LAPAJKAVZFVMCE-GGYDHGFRSA-N 1 2 245.388 1.420 20 0 BDADLO COC/C(C)=C\C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000929680130 646238161 /nfs/dbraw/zinc/23/81/61/646238161.db2.gz LAPAJKAVZFVMCE-GGYDHGFRSA-N 1 2 245.388 1.420 20 0 BDADLO COc1nnc(C[N@@H+]2CCC[C@@H]2C)s1 ZINC000929756026 646289100 /nfs/dbraw/zinc/28/91/00/646289100.db2.gz ZYJLBJGVCWBAIF-ZETCQYMHSA-N 1 2 213.306 1.531 20 0 BDADLO COc1nnc(C[N@H+]2CCC[C@@H]2C)s1 ZINC000929756026 646289103 /nfs/dbraw/zinc/28/91/03/646289103.db2.gz ZYJLBJGVCWBAIF-ZETCQYMHSA-N 1 2 213.306 1.531 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncco1)[C@H]1CN(C)CCO1 ZINC000925570642 646340429 /nfs/dbraw/zinc/34/04/29/646340429.db2.gz KZAXWCYBIBNWPO-OUAUKWLOSA-N 1 2 239.319 1.044 20 0 BDADLO COc1nnc(C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC000929830059 646346731 /nfs/dbraw/zinc/34/67/31/646346731.db2.gz YMJWRBNAUSTDLZ-YUMQZZPRSA-N 1 2 227.333 1.920 20 0 BDADLO Cc1cncc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000925642736 646385335 /nfs/dbraw/zinc/38/53/35/646385335.db2.gz BTXWENKERFVPGQ-CMPLNLGQSA-N 1 2 243.314 1.777 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000930086871 646428610 /nfs/dbraw/zinc/42/86/10/646428610.db2.gz OOGFJXBWKBLPNR-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000930086871 646428613 /nfs/dbraw/zinc/42/86/13/646428613.db2.gz OOGFJXBWKBLPNR-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO Cc1[nH+]ccn1Cc1[nH]nc2c1COCC2 ZINC000930097135 646434932 /nfs/dbraw/zinc/43/49/32/646434932.db2.gz NDKUXCYKWRPFEG-UHFFFAOYSA-N 1 2 218.260 1.036 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000930132292 646452302 /nfs/dbraw/zinc/45/23/02/646452302.db2.gz WEZRDNPOKNOYSQ-SCZZXKLOSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000930132292 646452305 /nfs/dbraw/zinc/45/23/05/646452305.db2.gz WEZRDNPOKNOYSQ-SCZZXKLOSA-N 1 2 237.290 1.095 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC000930160944 646465508 /nfs/dbraw/zinc/46/55/08/646465508.db2.gz CJAKHOYCRRORHN-RDDDGLTNSA-N 1 2 228.242 1.172 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@H]1O ZINC000930160944 646465511 /nfs/dbraw/zinc/46/55/11/646465511.db2.gz CJAKHOYCRRORHN-RDDDGLTNSA-N 1 2 228.242 1.172 20 0 BDADLO FC1=CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000930176306 646477258 /nfs/dbraw/zinc/47/72/58/646477258.db2.gz WGJYUSRYLRFTAP-ZMLRMANQSA-N 1 2 227.279 1.349 20 0 BDADLO FC1=CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000930176306 646477262 /nfs/dbraw/zinc/47/72/62/646477262.db2.gz WGJYUSRYLRFTAP-ZMLRMANQSA-N 1 2 227.279 1.349 20 0 BDADLO C[C@H](Cc1ccccn1)[NH2+]CC(F)(F)CO ZINC000926193445 646591921 /nfs/dbraw/zinc/59/19/21/646591921.db2.gz QPFQTYUXGQIEFM-SECBINFHSA-N 1 2 230.258 1.230 20 0 BDADLO [NH3+][C@@H](CC(=O)NCCc1cccs1)C(F)F ZINC000724740337 711609700 /nfs/dbraw/zinc/60/97/00/711609700.db2.gz PBSOPENZVCZRLW-QMMMGPOBSA-N 1 2 248.298 1.389 20 0 BDADLO [NH3+][C@@H](CC(=O)NCc1cccs1)C(F)F ZINC000724750131 711610805 /nfs/dbraw/zinc/61/08/05/711610805.db2.gz CEYFTALGMIKUKQ-ZETCQYMHSA-N 1 2 234.271 1.347 20 0 BDADLO CN(C(=O)C[C@H]([NH3+])C(F)F)c1ccc(F)cc1 ZINC000724737865 711610072 /nfs/dbraw/zinc/61/00/72/711610072.db2.gz DBRKNFRPYNTRLD-VIFPVBQESA-N 1 2 246.232 1.771 20 0 BDADLO [NH3+][C@H](CC(=O)N1CCCCCCC1)C(F)F ZINC000724750439 711610451 /nfs/dbraw/zinc/61/04/51/711610451.db2.gz DPMWDQLTUVSODL-SECBINFHSA-N 1 2 234.290 1.762 20 0 BDADLO C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724753741 711610502 /nfs/dbraw/zinc/61/05/02/711610502.db2.gz YGNQVDOVBLPAFC-IWSPIJDZSA-N 1 2 234.290 1.664 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000724775132 711611413 /nfs/dbraw/zinc/61/14/13/711611413.db2.gz VZALWXYRZODITF-UHFFFAOYSA-N 1 2 222.336 1.244 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000724775132 711611415 /nfs/dbraw/zinc/61/14/15/711611415.db2.gz VZALWXYRZODITF-UHFFFAOYSA-N 1 2 222.336 1.244 20 0 BDADLO O[C@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1F ZINC000725662402 711668786 /nfs/dbraw/zinc/66/87/86/711668786.db2.gz YVVMNESVNQPVHF-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO O[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1F ZINC000725662402 711668788 /nfs/dbraw/zinc/66/87/88/711668788.db2.gz YVVMNESVNQPVHF-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@H]([NH2+]C/C=C/Cl)c1cn(C)nn1 ZINC000720603854 711685208 /nfs/dbraw/zinc/68/52/08/711685208.db2.gz VVTHBIGVNALTHX-SDLBARTOSA-N 1 2 200.673 1.218 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)OC ZINC000310014139 711702270 /nfs/dbraw/zinc/70/22/70/711702270.db2.gz KAEIVTQYZWAIOQ-GHMZBOCLSA-N 1 2 229.320 1.079 20 0 BDADLO CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722389832 711753109 /nfs/dbraw/zinc/75/31/09/711753109.db2.gz DTKBNKJPGHZTQH-UHFFFAOYSA-N 1 2 242.348 1.024 20 0 BDADLO FC(F)(F)[C@H]1CC[C@@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000722389493 711753197 /nfs/dbraw/zinc/75/31/97/711753197.db2.gz OHQJDUDINDYLFI-DTWKUNHWSA-N 1 2 249.236 1.609 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CC[C@@H](F)C1 ZINC000701684246 712028073 /nfs/dbraw/zinc/02/80/73/712028073.db2.gz XVAZLLCFUCRGHM-CDAZIORVSA-N 1 2 201.241 1.150 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CC[C@@H](F)C1 ZINC000701684246 712028075 /nfs/dbraw/zinc/02/80/75/712028075.db2.gz XVAZLLCFUCRGHM-CDAZIORVSA-N 1 2 201.241 1.150 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000706166137 712141670 /nfs/dbraw/zinc/14/16/70/712141670.db2.gz IQANBWGTQAWJCL-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000706166137 712141671 /nfs/dbraw/zinc/14/16/71/712141671.db2.gz IQANBWGTQAWJCL-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000710975769 712270994 /nfs/dbraw/zinc/27/09/94/712270994.db2.gz JEZDJNDFUMBVSK-JTQLQIEISA-N 1 2 242.344 1.693 20 0 BDADLO Cc1nc([C@@H](C)NC[C@@H]2CC[N@H+]2C)cs1 ZINC000712535800 712442923 /nfs/dbraw/zinc/44/29/23/712442923.db2.gz WRMTXFGXTAWHNZ-SCZZXKLOSA-N 1 2 225.361 1.806 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C(=O)OC ZINC000714336093 712482771 /nfs/dbraw/zinc/48/27/71/712482771.db2.gz AWKRTFAJBKLTSE-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO COC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000714475989 712491120 /nfs/dbraw/zinc/49/11/20/712491120.db2.gz AMMXJYKBOQRFFR-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)C(=O)OC ZINC000715435126 712518971 /nfs/dbraw/zinc/51/89/71/712518971.db2.gz HJHSVIRIUASXGL-WOPDTQHZSA-N 1 2 241.331 1.485 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535268 712526491 /nfs/dbraw/zinc/52/64/91/712526491.db2.gz DEYQSOXOEAWGJQ-PRJMDXOYSA-N 1 2 219.231 1.135 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535268 712526492 /nfs/dbraw/zinc/52/64/92/712526492.db2.gz DEYQSOXOEAWGJQ-PRJMDXOYSA-N 1 2 219.231 1.135 20 0 BDADLO CCC[C@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000716942575 712598001 /nfs/dbraw/zinc/59/80/01/712598001.db2.gz AGGVHZAIPJUNBR-WDEREUQCSA-N 1 2 245.363 1.857 20 0 BDADLO C[C@H](CC(C)(C)O)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000384897541 712704373 /nfs/dbraw/zinc/70/43/73/712704373.db2.gz MTIJRJNQBNARAI-NXEZZACHSA-N 1 2 245.363 1.856 20 0 BDADLO Cc1nn(C)c(C[N@H+]2C[C@H](O)C[C@@H]2C)c1Cl ZINC000384928003 712705596 /nfs/dbraw/zinc/70/55/96/712705596.db2.gz GZHYKGIRJZQRQQ-IONNQARKSA-N 1 2 243.738 1.337 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1Cl ZINC000384928003 712705599 /nfs/dbraw/zinc/70/55/99/712705599.db2.gz GZHYKGIRJZQRQQ-IONNQARKSA-N 1 2 243.738 1.337 20 0 BDADLO COC(=O)C1CC[NH+](Cc2nocc2C)CC1 ZINC000720363179 712835442 /nfs/dbraw/zinc/83/54/42/712835442.db2.gz SBNINJPNWHYYNX-UHFFFAOYSA-N 1 2 238.287 1.368 20 0 BDADLO O=C(NC[C@@H]1CC[N@H+]1C/C=C\Cl)C1CC1 ZINC001037996587 712897644 /nfs/dbraw/zinc/89/76/44/712897644.db2.gz MDPSATMEEXKFHV-RIXFDMRVSA-N 1 2 228.723 1.339 20 0 BDADLO O=C(NC[C@@H]1CC[N@@H+]1C/C=C\Cl)C1CC1 ZINC001037996587 712897645 /nfs/dbraw/zinc/89/76/45/712897645.db2.gz MDPSATMEEXKFHV-RIXFDMRVSA-N 1 2 228.723 1.339 20 0 BDADLO COc1ncc(C[NH2+]Cc2ccn(C)n2)s1 ZINC000381309779 710619814 /nfs/dbraw/zinc/61/98/14/710619814.db2.gz NFQWQKXYNPCCPD-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](COC)C(C)C ZINC000381313431 710620574 /nfs/dbraw/zinc/62/05/74/710620574.db2.gz AVZSZSLYNJJZID-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO CNC(=O)C1([NH2+]Cc2cscn2)CCCC1 ZINC000381452747 710638552 /nfs/dbraw/zinc/63/85/52/710638552.db2.gz IBUFUOKGURXIDK-UHFFFAOYSA-N 1 2 239.344 1.292 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ccc(F)nc2)n1 ZINC000381603557 710661359 /nfs/dbraw/zinc/66/13/59/710661359.db2.gz OWUTUCGXBSRIPE-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO [NH3+][C@H](CC(=O)Nc1ccc(F)nc1)C(F)F ZINC000724698993 710746446 /nfs/dbraw/zinc/74/64/46/710746446.db2.gz GREBGSBTZBTTRC-ZCFIWIBFSA-N 1 2 233.193 1.142 20 0 BDADLO C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccccc1 ZINC000724763667 710746664 /nfs/dbraw/zinc/74/66/64/710746664.db2.gz ZWDHMCNAMJAECZ-PSASIEDQSA-N 1 2 242.269 1.846 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2ccc(C)nc2)C1 ZINC001042483892 710786772 /nfs/dbraw/zinc/78/67/72/710786772.db2.gz PABNJRZKRYQCAK-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001040025096 710757455 /nfs/dbraw/zinc/75/74/55/710757455.db2.gz QKXGCLHXLNVEBP-ONGXEEELSA-N 1 2 248.330 1.596 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2oc(C)nc2C)C1 ZINC001042570038 710793434 /nfs/dbraw/zinc/79/34/34/710793434.db2.gz CRDPWNXXCCFZKH-UHFFFAOYSA-N 1 2 237.303 1.068 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cocc2C)C1 ZINC001043546690 710808541 /nfs/dbraw/zinc/80/85/41/710808541.db2.gz KSAOYSFZVHSFKD-UHFFFAOYSA-N 1 2 222.288 1.364 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000399781477 710912680 /nfs/dbraw/zinc/91/26/80/710912680.db2.gz OQFALOANIIHZEI-GUBZILKMSA-N 1 2 220.320 1.999 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@H](C)[C@@H]2C)[nH+]cn1 ZINC000399781477 710912682 /nfs/dbraw/zinc/91/26/82/710912682.db2.gz OQFALOANIIHZEI-GUBZILKMSA-N 1 2 220.320 1.999 20 0 BDADLO CCC(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057562130 710955191 /nfs/dbraw/zinc/95/51/91/710955191.db2.gz QFMSGLQHCLOLCJ-NSHDSACASA-N 1 2 248.330 1.598 20 0 BDADLO CCC(CC)(CNc1cc(NC)nc[nH+]1)OC ZINC000383517561 710982922 /nfs/dbraw/zinc/98/29/22/710982922.db2.gz HRNSVWXAEQJEMC-UHFFFAOYSA-N 1 2 238.335 1.557 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000384892018 710999521 /nfs/dbraw/zinc/99/95/21/710999521.db2.gz LEBLAXUGHSXDMV-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000384892018 710999525 /nfs/dbraw/zinc/99/95/25/710999525.db2.gz LEBLAXUGHSXDMV-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO COC(OC)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000386171666 711024081 /nfs/dbraw/zinc/02/40/81/711024081.db2.gz YYJIKTSSJSOVIA-ZETCQYMHSA-N 1 2 241.316 1.112 20 0 BDADLO CCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000389754460 711089561 /nfs/dbraw/zinc/08/95/61/711089561.db2.gz ZZBSMPLEIKQZES-UHFFFAOYSA-N 1 2 208.261 1.728 20 0 BDADLO CC(C)CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000390213271 711109181 /nfs/dbraw/zinc/10/91/81/711109181.db2.gz WFOQQZBDBAGVHC-UHFFFAOYSA-N 1 2 222.288 1.974 20 0 BDADLO Clc1csc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398363379 711409796 /nfs/dbraw/zinc/40/97/96/711409796.db2.gz KDMIXNSSROYHGU-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCc3cccnc32)[nH]1 ZINC000392413035 711146960 /nfs/dbraw/zinc/14/69/60/711146960.db2.gz DSODMOAMHPGJON-KCJUWKMLSA-N 1 2 243.314 1.846 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000399624380 711433028 /nfs/dbraw/zinc/43/30/28/711433028.db2.gz GNZQZOCFWSMHFN-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000399624380 711433029 /nfs/dbraw/zinc/43/30/29/711433029.db2.gz GNZQZOCFWSMHFN-SECBINFHSA-N 1 2 241.722 1.598 20 0 BDADLO Cc1cc(N)nc(SCc2cnsn2)[nH+]1 ZINC000399675291 711433493 /nfs/dbraw/zinc/43/34/93/711433493.db2.gz UOPXWLKKMVCYLT-UHFFFAOYSA-N 1 2 239.329 1.341 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2nn(C)cc2C)cn1 ZINC000723490745 711513131 /nfs/dbraw/zinc/51/31/31/711513131.db2.gz WPXNVZSTHYMGDW-NSHDSACASA-N 1 2 247.346 1.796 20 0 BDADLO CC(C)CN(C(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC000724753752 711610488 /nfs/dbraw/zinc/61/04/88/711610488.db2.gz YPJKGBSTNCSZFI-SECBINFHSA-N 1 2 234.290 1.616 20 0 BDADLO Cc1csc(NC(=O)C[C@H]([NH3+])C(F)F)n1 ZINC000724750461 711610590 /nfs/dbraw/zinc/61/05/90/711610590.db2.gz DXGNGBMUTBRBAN-YFKPBYRVSA-N 1 2 235.259 1.373 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cn[nH]c2C)C1 ZINC000724785962 711614910 /nfs/dbraw/zinc/61/49/10/711614910.db2.gz NGPNBIQQIVQEKH-JOYOIKCWSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cn[nH]c2C)C1 ZINC000724785962 711614911 /nfs/dbraw/zinc/61/49/11/711614911.db2.gz NGPNBIQQIVQEKH-JOYOIKCWSA-N 1 2 223.320 1.717 20 0 BDADLO CC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001075468454 711635275 /nfs/dbraw/zinc/63/52/75/711635275.db2.gz DKKZEJMPZYEJAR-WCQYABFASA-N 1 2 249.314 1.036 20 0 BDADLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001075468454 711635277 /nfs/dbraw/zinc/63/52/77/711635277.db2.gz DKKZEJMPZYEJAR-WCQYABFASA-N 1 2 249.314 1.036 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC000725022733 711643660 /nfs/dbraw/zinc/64/36/60/711643660.db2.gz COAMXWBJTAETGJ-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO CC[C@@H](C)CONC(=O)NCc1c[nH+]cn1C ZINC000291826484 711662690 /nfs/dbraw/zinc/66/26/90/711662690.db2.gz FNJSPZOHZBDKAI-SECBINFHSA-N 1 2 240.307 1.197 20 0 BDADLO O[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1F ZINC000725662401 711669139 /nfs/dbraw/zinc/66/91/39/711669139.db2.gz YVVMNESVNQPVHF-RNFRBKRXSA-N 1 2 215.190 1.344 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1F ZINC000725662401 711669142 /nfs/dbraw/zinc/66/91/42/711669142.db2.gz YVVMNESVNQPVHF-RNFRBKRXSA-N 1 2 215.190 1.344 20 0 BDADLO CCCOC(=O)NCCc1cn(C)c[nH+]1 ZINC000313311735 711717298 /nfs/dbraw/zinc/71/72/98/711717298.db2.gz YFYKVLPMGWKKFW-UHFFFAOYSA-N 1 2 211.265 1.099 20 0 BDADLO CCN1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1=O ZINC000722342721 711741964 /nfs/dbraw/zinc/74/19/64/711741964.db2.gz WMRQOTSRMIJGHS-SNVBAGLBSA-N 1 2 234.303 1.208 20 0 BDADLO CCN1CCC[C@H](Nc2cc[nH+]cc2F)C1=O ZINC000722348791 711743431 /nfs/dbraw/zinc/74/34/31/711743431.db2.gz XVINAGGHHMWGCJ-NSHDSACASA-N 1 2 237.278 1.065 20 0 BDADLO C/C=C\C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722408014 711754367 /nfs/dbraw/zinc/75/43/67/711754367.db2.gz YNJMMSIMJQCZID-PLNGDYQASA-N 1 2 239.344 1.397 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981884962 711757349 /nfs/dbraw/zinc/75/73/49/711757349.db2.gz KQISMTFETHJTQI-VXGBXAGGSA-N 1 2 242.338 1.536 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981884962 711757350 /nfs/dbraw/zinc/75/73/50/711757350.db2.gz KQISMTFETHJTQI-VXGBXAGGSA-N 1 2 242.338 1.536 20 0 BDADLO O[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC000725662400 711759348 /nfs/dbraw/zinc/75/93/48/711759348.db2.gz YVVMNESVNQPVHF-NKWVEPMBSA-N 1 2 215.190 1.344 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC000725662400 711759349 /nfs/dbraw/zinc/75/93/49/711759349.db2.gz YVVMNESVNQPVHF-NKWVEPMBSA-N 1 2 215.190 1.344 20 0 BDADLO Cc1nc(N2CC[C@H](C(C)(C)O)C2)cc[nH+]1 ZINC000721802372 711776849 /nfs/dbraw/zinc/77/68/49/711776849.db2.gz BRTGCYCPCNMBJL-JTQLQIEISA-N 1 2 221.304 1.382 20 0 BDADLO CC(C)C[C@@H]1NC(=O)N(C[N@H+](C)C2CC2)C1=O ZINC000046477786 711776953 /nfs/dbraw/zinc/77/69/53/711776953.db2.gz INXKBUZTCKXXHM-JTQLQIEISA-N 1 2 239.319 1.005 20 0 BDADLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+](C)C2CC2)C1=O ZINC000046477786 711776954 /nfs/dbraw/zinc/77/69/54/711776954.db2.gz INXKBUZTCKXXHM-JTQLQIEISA-N 1 2 239.319 1.005 20 0 BDADLO C[C@@H]([NH2+]CCC[C@H](C)O)C(=O)OC(C)(C)C ZINC000227715883 711832739 /nfs/dbraw/zinc/83/27/39/711832739.db2.gz LHDAKPPSGKZBJB-VHSXEESVSA-N 1 2 231.336 1.467 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ncoc2C2CC2)C1 ZINC001031202682 711868337 /nfs/dbraw/zinc/86/83/37/711868337.db2.gz VBSIFGLWYGQJES-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO COC[C@@H](C[NH2+][C@H]1CCCc2[nH]ncc21)OC ZINC000353667008 711893110 /nfs/dbraw/zinc/89/31/10/711893110.db2.gz BGHOIDBYDNQYKW-KOLCDFICSA-N 1 2 239.319 1.038 20 0 BDADLO Cc1c[nH]nc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000353806624 711895233 /nfs/dbraw/zinc/89/52/33/711895233.db2.gz YFYDDNUVADUABB-UHFFFAOYSA-N 1 2 219.248 1.013 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000450724435 711945986 /nfs/dbraw/zinc/94/59/86/711945986.db2.gz NQGFDFUSIKVSPK-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001061033428 711946316 /nfs/dbraw/zinc/94/63/16/711946316.db2.gz MXOJRTUZOFRESY-VXGBXAGGSA-N 1 2 248.330 1.644 20 0 BDADLO CCc1nnc(C[NH2+]Cc2cncc(OC)c2)[nH]1 ZINC000700073710 711985510 /nfs/dbraw/zinc/98/55/10/711985510.db2.gz YNIRKWVXHRJNAZ-UHFFFAOYSA-N 1 2 247.302 1.061 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CC[C@H](F)C1 ZINC000701684247 712027773 /nfs/dbraw/zinc/02/77/73/712027773.db2.gz XVAZLLCFUCRGHM-NWALNABHSA-N 1 2 201.241 1.150 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CC[C@H](F)C1 ZINC000701684247 712027775 /nfs/dbraw/zinc/02/77/75/712027775.db2.gz XVAZLLCFUCRGHM-NWALNABHSA-N 1 2 201.241 1.150 20 0 BDADLO O=C(N[C@H]1CCCC[N@@H+](CCF)C1)C(F)F ZINC001034068356 712039126 /nfs/dbraw/zinc/03/91/26/712039126.db2.gz IXATXZUVNYJMDY-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO O=C(N[C@H]1CCCC[N@H+](CCF)C1)C(F)F ZINC001034068356 712039127 /nfs/dbraw/zinc/03/91/27/712039127.db2.gz IXATXZUVNYJMDY-QMMMGPOBSA-N 1 2 238.253 1.192 20 0 BDADLO CC(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001045337628 712039459 /nfs/dbraw/zinc/03/94/59/712039459.db2.gz NYOSWFAXBUKBCQ-UHFFFAOYSA-N 1 2 237.303 1.165 20 0 BDADLO CCCNc1cc(N2CC3(C2)CCCO3)nc[nH+]1 ZINC000702927559 712062249 /nfs/dbraw/zinc/06/22/49/712062249.db2.gz HGFNCOGASPJAIF-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO CCCNc1cc(N2CC3(C2)CCCO3)[nH+]cn1 ZINC000702927559 712062250 /nfs/dbraw/zinc/06/22/50/712062250.db2.gz HGFNCOGASPJAIF-UHFFFAOYSA-N 1 2 248.330 1.668 20 0 BDADLO Nc1ccc(C[N@@H+]2CCOCC23CCCC3)nn1 ZINC000703917162 712093972 /nfs/dbraw/zinc/09/39/72/712093972.db2.gz DCIAWOOYGZJDBV-UHFFFAOYSA-N 1 2 248.330 1.204 20 0 BDADLO Nc1ccc(C[N@H+]2CCOCC23CCCC3)nn1 ZINC000703917162 712093974 /nfs/dbraw/zinc/09/39/74/712093974.db2.gz DCIAWOOYGZJDBV-UHFFFAOYSA-N 1 2 248.330 1.204 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N)nn2)CC(C)(C)O1 ZINC000703965192 712097514 /nfs/dbraw/zinc/09/75/14/712097514.db2.gz WGWBOHVEMNHKHX-VIFPVBQESA-N 1 2 236.319 1.058 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N)nn2)CC(C)(C)O1 ZINC000703965192 712097515 /nfs/dbraw/zinc/09/75/15/712097515.db2.gz WGWBOHVEMNHKHX-VIFPVBQESA-N 1 2 236.319 1.058 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062745 712164706 /nfs/dbraw/zinc/16/47/06/712164706.db2.gz KNXBGMAIBUGFFV-IONNQARKSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062745 712164707 /nfs/dbraw/zinc/16/47/07/712164707.db2.gz KNXBGMAIBUGFFV-IONNQARKSA-N 1 2 229.711 1.029 20 0 BDADLO CC[C@@H](C(=O)OC)[NH+]1CCC(C(C)=O)CC1 ZINC000710060700 712243617 /nfs/dbraw/zinc/24/36/17/712243617.db2.gz UHBVKPZNJXERMG-NSHDSACASA-N 1 2 227.304 1.239 20 0 BDADLO CC[C@H](C(=O)OC)[NH+]1CCC(C(C)=O)CC1 ZINC000710060698 712243736 /nfs/dbraw/zinc/24/37/36/712243736.db2.gz UHBVKPZNJXERMG-LLVKDONJSA-N 1 2 227.304 1.239 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000711438711 712300210 /nfs/dbraw/zinc/30/02/10/712300210.db2.gz KFZRENBKSTWZPU-NXEZZACHSA-N 1 2 237.303 1.069 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H]2C[C@H]2C2CC2)n1 ZINC000711969187 712339155 /nfs/dbraw/zinc/33/91/55/712339155.db2.gz OUYZEZPQMJCWEX-UWVGGRQHSA-N 1 2 221.304 1.768 20 0 BDADLO C[N@@H+]1CC[C@H]1CNc1c(F)c(F)nc(F)c1F ZINC000712250126 712342950 /nfs/dbraw/zinc/34/29/50/712342950.db2.gz WCMILBSTPIOLSY-YFKPBYRVSA-N 1 2 249.211 1.754 20 0 BDADLO C[N@H+]1CC[C@H]1CNc1c(F)c(F)nc(F)c1F ZINC000712250126 712342952 /nfs/dbraw/zinc/34/29/52/712342952.db2.gz WCMILBSTPIOLSY-YFKPBYRVSA-N 1 2 249.211 1.754 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000379124558 712370035 /nfs/dbraw/zinc/37/00/35/712370035.db2.gz XTQWUOWFRJWEBN-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000379124558 712370036 /nfs/dbraw/zinc/37/00/36/712370036.db2.gz XTQWUOWFRJWEBN-VIFPVBQESA-N 1 2 241.335 1.570 20 0 BDADLO C[C@]1([NH2+]CC[C@@H]2CCCCO2)CCOC1=O ZINC000390626208 712422369 /nfs/dbraw/zinc/42/23/69/712422369.db2.gz JYMWCZFSSBVMJL-JQWIXIFHSA-N 1 2 227.304 1.241 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712447571 712430849 /nfs/dbraw/zinc/43/08/49/712430849.db2.gz YWZPZPSSFKNQIH-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712447571 712430850 /nfs/dbraw/zinc/43/08/50/712430850.db2.gz YWZPZPSSFKNQIH-SNVBAGLBSA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)n1ccnc1CNC[C@@H]1CC[N@@H+]1C ZINC000712578268 712432662 /nfs/dbraw/zinc/43/26/62/712432662.db2.gz APCDCKVUDOGDLT-NSHDSACASA-N 1 2 222.336 1.258 20 0 BDADLO CC(C)n1ccnc1CNC[C@@H]1CC[N@H+]1C ZINC000712578268 712432663 /nfs/dbraw/zinc/43/26/63/712432663.db2.gz APCDCKVUDOGDLT-NSHDSACASA-N 1 2 222.336 1.258 20 0 BDADLO Cc1nc([C@@H](C)NC[C@@H]2CC[N@@H+]2C)cs1 ZINC000712535800 712442921 /nfs/dbraw/zinc/44/29/21/712442921.db2.gz WRMTXFGXTAWHNZ-SCZZXKLOSA-N 1 2 225.361 1.806 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccc2nc[nH]c21 ZINC000714219044 712478771 /nfs/dbraw/zinc/47/87/71/712478771.db2.gz RHZCMDMJIWOJAC-VIFPVBQESA-N 1 2 242.286 1.655 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cnn(CC)c2)nn1 ZINC000714433547 712486773 /nfs/dbraw/zinc/48/67/73/712486773.db2.gz LJCVDLVYRRFIHP-UHFFFAOYSA-N 1 2 248.334 1.194 20 0 BDADLO Cc1ncccc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715833678 712534022 /nfs/dbraw/zinc/53/40/22/712534022.db2.gz DEGIDTSUYLQJRX-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)nn1 ZINC000715837069 712534501 /nfs/dbraw/zinc/53/45/01/712534501.db2.gz PIKGMMZPPZWOKU-SNVBAGLBSA-N 1 2 248.334 1.570 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)[nH]n1 ZINC000716595713 712564522 /nfs/dbraw/zinc/56/45/22/712564522.db2.gz VRJKBAXFKPCBLE-LBPRGKRZSA-N 1 2 235.331 1.849 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1nc[nH+]c(N)c1OC ZINC000716879094 712580233 /nfs/dbraw/zinc/58/02/33/712580233.db2.gz QQJOOHVSDRMQFZ-YUMQZZPRSA-N 1 2 240.307 1.029 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1[nH+]cnc(N)c1OC ZINC000716879094 712580234 /nfs/dbraw/zinc/58/02/34/712580234.db2.gz QQJOOHVSDRMQFZ-YUMQZZPRSA-N 1 2 240.307 1.029 20 0 BDADLO Cc1nc(NCC[C@@H]2CC[C@H]3C[C@H]32)nc(N)[nH+]1 ZINC000717093129 712630821 /nfs/dbraw/zinc/63/08/21/712630821.db2.gz WPJYLNWPRSMWEJ-GUBZILKMSA-N 1 2 233.319 1.610 20 0 BDADLO Cc1nc(N)nc(NCC[C@@H]2CC[C@H]3C[C@H]32)[nH+]1 ZINC000717093129 712630823 /nfs/dbraw/zinc/63/08/23/712630823.db2.gz WPJYLNWPRSMWEJ-GUBZILKMSA-N 1 2 233.319 1.610 20 0 BDADLO C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ncn(C)n1 ZINC000380016465 712670215 /nfs/dbraw/zinc/67/02/15/712670215.db2.gz NIFLILDLEATXAR-RQJHMYQMSA-N 1 2 249.145 1.660 20 0 BDADLO Cc1coc(C[NH2+]Cc2ccn(C)n2)c1 ZINC000718134235 712747642 /nfs/dbraw/zinc/74/76/42/712747642.db2.gz XZXFXUDSMYEXQP-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO CCCNc1cc(N2C[C@@H]3COC[C@@H]3C2)nc[nH+]1 ZINC000718157809 712749631 /nfs/dbraw/zinc/74/96/31/712749631.db2.gz VTIMPGAMUNQXCX-PHIMTYICSA-N 1 2 248.330 1.381 20 0 BDADLO CCCNc1cc(N2C[C@@H]3COC[C@@H]3C2)[nH+]cn1 ZINC000718157809 712749633 /nfs/dbraw/zinc/74/96/33/712749633.db2.gz VTIMPGAMUNQXCX-PHIMTYICSA-N 1 2 248.330 1.381 20 0 BDADLO Cc1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)no1 ZINC000720370161 712836225 /nfs/dbraw/zinc/83/62/25/712836225.db2.gz SGYDFVXWHIEVSE-GFCCVEGCSA-N 1 2 237.347 1.945 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720433800 712842474 /nfs/dbraw/zinc/84/24/74/712842474.db2.gz WFBQQCWDFVXAFY-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720433800 712842476 /nfs/dbraw/zinc/84/24/76/712842476.db2.gz WFBQQCWDFVXAFY-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)c(C)nn1 ZINC000720543946 712850257 /nfs/dbraw/zinc/85/02/57/712850257.db2.gz CTPKBIVVJDPPGH-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO Cc1cc(C[N@H+]2CCC3(C2)OCCO3)c(C)nn1 ZINC000720543946 712850258 /nfs/dbraw/zinc/85/02/58/712850258.db2.gz CTPKBIVVJDPPGH-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO CCCNc1cc(N2C[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000380303455 712865552 /nfs/dbraw/zinc/86/55/52/712865552.db2.gz MWCJEYDFTNPENL-AOOOYVTPSA-N 1 2 218.304 1.755 20 0 BDADLO CCCNc1cc(N2C[C@@H]3C[C@@H]3C2)[nH+]cn1 ZINC000380303455 712865553 /nfs/dbraw/zinc/86/55/53/712865553.db2.gz MWCJEYDFTNPENL-AOOOYVTPSA-N 1 2 218.304 1.755 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001037982309 712896395 /nfs/dbraw/zinc/89/63/95/712896395.db2.gz XSTBUFLVPFVSJV-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001037982309 712896396 /nfs/dbraw/zinc/89/63/96/712896396.db2.gz XSTBUFLVPFVSJV-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO O=C(NC[C@@H]1CC[N@@H+]1Cc1cccnc1)C1CC1 ZINC001037980654 712896421 /nfs/dbraw/zinc/89/64/21/712896421.db2.gz NCFVTSWUSDOPKJ-ZDUSSCGKSA-N 1 2 245.326 1.182 20 0 BDADLO O=C(NC[C@@H]1CC[N@H+]1Cc1cccnc1)C1CC1 ZINC001037980654 712896422 /nfs/dbraw/zinc/89/64/22/712896422.db2.gz NCFVTSWUSDOPKJ-ZDUSSCGKSA-N 1 2 245.326 1.182 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037986776 712896643 /nfs/dbraw/zinc/89/66/43/712896643.db2.gz RTHVEXCCHCAOMA-NSHDSACASA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037986776 712896644 /nfs/dbraw/zinc/89/66/44/712896644.db2.gz RTHVEXCCHCAOMA-NSHDSACASA-N 1 2 249.314 1.084 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001207409483 959882768 /nfs/dbraw/zinc/88/27/68/959882768.db2.gz ZKSBVYPURAZMFV-MRVPVSSYSA-N 1 2 239.237 1.619 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001207409483 959882776 /nfs/dbraw/zinc/88/27/76/959882776.db2.gz ZKSBVYPURAZMFV-MRVPVSSYSA-N 1 2 239.237 1.619 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001140934485 960721666 /nfs/dbraw/zinc/72/16/66/960721666.db2.gz ICIFSCJCIMFOGH-SCZZXKLOSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001140934485 960721684 /nfs/dbraw/zinc/72/16/84/960721684.db2.gz ICIFSCJCIMFOGH-SCZZXKLOSA-N 1 2 209.268 1.717 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csnn2)CCC[C@@H]1O ZINC001140992779 960786215 /nfs/dbraw/zinc/78/62/15/960786215.db2.gz WZWKAMLISQDYBI-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csnn2)CCC[C@@H]1O ZINC001140992779 960786224 /nfs/dbraw/zinc/78/62/24/960786224.db2.gz WZWKAMLISQDYBI-SCZZXKLOSA-N 1 2 227.333 1.131 20 0 BDADLO c1coc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001141004599 960796194 /nfs/dbraw/zinc/79/61/94/960796194.db2.gz HWSMIRWLQAAWIL-QWRGUYRKSA-N 1 2 222.288 1.676 20 0 BDADLO c1coc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001141004599 960796222 /nfs/dbraw/zinc/79/62/22/960796222.db2.gz HWSMIRWLQAAWIL-QWRGUYRKSA-N 1 2 222.288 1.676 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ocnc1C ZINC001141053940 960845588 /nfs/dbraw/zinc/84/55/88/960845588.db2.gz UNOIRPHZFWDSMK-LLVKDONJSA-N 1 2 222.288 1.927 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ocnc1C ZINC001141053940 960845594 /nfs/dbraw/zinc/84/55/94/960845594.db2.gz UNOIRPHZFWDSMK-LLVKDONJSA-N 1 2 222.288 1.927 20 0 BDADLO C[N@@H+]1CCC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001142770881 961728642 /nfs/dbraw/zinc/72/86/42/961728642.db2.gz NEGWAFDRTNOQTD-QMMMGPOBSA-N 1 2 224.226 1.149 20 0 BDADLO Oc1c(F)cc(C[N@@H+]2CCCOCC2)cc1F ZINC000134185863 962746769 /nfs/dbraw/zinc/74/67/69/962746769.db2.gz DOYPRPRIIITANU-UHFFFAOYSA-N 1 2 243.253 1.893 20 0 BDADLO Oc1c(F)cc(C[N@H+]2CCCOCC2)cc1F ZINC000134185863 962746770 /nfs/dbraw/zinc/74/67/70/962746770.db2.gz DOYPRPRIIITANU-UHFFFAOYSA-N 1 2 243.253 1.893 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2cnsn2)[C@@H]1CCO ZINC000697208154 963850863 /nfs/dbraw/zinc/85/08/63/963850863.db2.gz PAMHSICJELTWDO-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2cnsn2)[C@@H]1CCO ZINC000697208154 963850870 /nfs/dbraw/zinc/85/08/70/963850870.db2.gz PAMHSICJELTWDO-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C=CC(=O)NCCNc1cc(SC)cc[nH+]1 ZINC001158839994 963941525 /nfs/dbraw/zinc/94/15/25/963941525.db2.gz WRGFPYLCKGRXOZ-UHFFFAOYSA-N 1 2 237.328 1.518 20 0 BDADLO Fc1c[nH]c2nc[nH+]c(NCC(F)F)c12 ZINC001161807790 964764447 /nfs/dbraw/zinc/76/44/47/964764447.db2.gz ORVDXBYMLSDPRC-UHFFFAOYSA-N 1 2 216.166 1.774 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(Cl)nc1 ZINC000042515776 964814639 /nfs/dbraw/zinc/81/46/39/964814639.db2.gz CWWCLPXPVNVKAG-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)nc1 ZINC000042515776 964814648 /nfs/dbraw/zinc/81/46/48/964814648.db2.gz CWWCLPXPVNVKAG-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC[C@H](C)CO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224667230 964862501 /nfs/dbraw/zinc/86/25/01/964862501.db2.gz FVXSYFBBULUFLO-AXFHLTTASA-N 1 2 229.320 1.295 20 0 BDADLO CC[C@H](C)CO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224667230 964862506 /nfs/dbraw/zinc/86/25/06/964862506.db2.gz FVXSYFBBULUFLO-AXFHLTTASA-N 1 2 229.320 1.295 20 0 BDADLO CCc1nccc(OC2C[NH+](C(C)C)C2)n1 ZINC001234696949 965884451 /nfs/dbraw/zinc/88/44/51/965884451.db2.gz FOZXRMVAOWCQGH-UHFFFAOYSA-N 1 2 221.304 1.510 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc(C(N)=O)nc1 ZINC001239555963 966995162 /nfs/dbraw/zinc/99/51/62/966995162.db2.gz UKDYGLMVKMEDTF-YALUOGEHSA-N 1 2 203.245 1.056 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001204587577 967075153 /nfs/dbraw/zinc/07/51/53/967075153.db2.gz GBVLOAWBFVWFQZ-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001204587577 967075166 /nfs/dbraw/zinc/07/51/66/967075166.db2.gz GBVLOAWBFVWFQZ-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO CCOCCc1c[nH+]c2c(c1)OCCN2C ZINC001249942270 967183269 /nfs/dbraw/zinc/18/32/69/967183269.db2.gz FTPKPSAUEVKDDF-UHFFFAOYSA-N 1 2 222.288 1.489 20 0 BDADLO Cc1c(CO)cccc1CCn1cc[nH+]c1 ZINC001250318320 967688707 /nfs/dbraw/zinc/68/87/07/967688707.db2.gz BQODJXKQDBUBEI-UHFFFAOYSA-N 1 2 216.284 1.927 20 0 BDADLO O[C@H](C[N@@H+]1CCc2ccncc2C1)C(F)(F)F ZINC001250972639 968231281 /nfs/dbraw/zinc/23/12/81/968231281.db2.gz OBHPBUJEFNGMNH-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO O[C@H](C[N@H+]1CCc2ccncc2C1)C(F)(F)F ZINC001250972639 968231287 /nfs/dbraw/zinc/23/12/87/968231287.db2.gz OBHPBUJEFNGMNH-SNVBAGLBSA-N 1 2 246.232 1.363 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@](C)(O)C2)cs1 ZINC001206798130 968481644 /nfs/dbraw/zinc/48/16/44/968481644.db2.gz BOOGUULECYSDBD-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@](C)(O)C2)cs1 ZINC001206798130 968481649 /nfs/dbraw/zinc/48/16/49/968481649.db2.gz BOOGUULECYSDBD-NSHDSACASA-N 1 2 242.344 1.035 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(=O)[nH]1 ZINC001207065317 968595766 /nfs/dbraw/zinc/59/57/66/968595766.db2.gz NUCHYKUFYNQGJJ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc(=O)[nH]1 ZINC001207065317 968595778 /nfs/dbraw/zinc/59/57/78/968595778.db2.gz NUCHYKUFYNQGJJ-SECBINFHSA-N 1 2 208.261 1.008 20 0 BDADLO CCn1cnc(Cl)c1C[NH2+]C1(C)COC1 ZINC001207103098 968633890 /nfs/dbraw/zinc/63/38/90/968633890.db2.gz VBTLNXFECDHFFW-UHFFFAOYSA-N 1 2 229.711 1.435 20 0 BDADLO O[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1F ZINC001207497808 968805108 /nfs/dbraw/zinc/80/51/08/968805108.db2.gz ULHSYPYNVDTFHN-NWDGAFQWSA-N 1 2 227.254 1.383 20 0 BDADLO O[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1F ZINC001207497808 968805117 /nfs/dbraw/zinc/80/51/17/968805117.db2.gz ULHSYPYNVDTFHN-NWDGAFQWSA-N 1 2 227.254 1.383 20 0 BDADLO COC1C[NH+](CCc2ccccc2F)C1 ZINC001207497966 968805362 /nfs/dbraw/zinc/80/53/62/968805362.db2.gz YQVDCXKICWRDCE-UHFFFAOYSA-N 1 2 209.264 1.699 20 0 BDADLO Cc1ccc(NC[C@H](O)COC(C)C)c(C)[nH+]1 ZINC001252665312 968897154 /nfs/dbraw/zinc/89/71/54/968897154.db2.gz QBUYESFFHBSNCH-LBPRGKRZSA-N 1 2 238.331 1.896 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CC[C@H](F)C1 ZINC000689935098 968898671 /nfs/dbraw/zinc/89/86/71/968898671.db2.gz FXRVHFOVUZYAGD-CHDHTGKKSA-N 1 2 201.241 1.150 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CC[C@H](F)C1 ZINC000689935098 968898676 /nfs/dbraw/zinc/89/86/76/968898676.db2.gz FXRVHFOVUZYAGD-CHDHTGKKSA-N 1 2 201.241 1.150 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)nn1C ZINC000089184979 969136188 /nfs/dbraw/zinc/13/61/88/969136188.db2.gz ZHLFDRSJKQXNKN-CYBMUJFWSA-N 1 2 235.331 1.672 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)nn1C ZINC000089184979 969136193 /nfs/dbraw/zinc/13/61/93/969136193.db2.gz ZHLFDRSJKQXNKN-CYBMUJFWSA-N 1 2 235.331 1.672 20 0 BDADLO CC[C@](C)(NCc1[nH]c(C)c(C)[nH+]1)C(=O)OC ZINC001168950339 969289755 /nfs/dbraw/zinc/28/97/55/969289755.db2.gz SPDSSPGFOZZWSK-LBPRGKRZSA-N 1 2 239.319 1.458 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001253722996 969347229 /nfs/dbraw/zinc/34/72/29/969347229.db2.gz YMPJFMQHPAFZPQ-KOLCDFICSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@@H](O)C[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001253722996 969347236 /nfs/dbraw/zinc/34/72/36/969347236.db2.gz YMPJFMQHPAFZPQ-KOLCDFICSA-N 1 2 231.311 1.396 20 0 BDADLO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1=CC=C[CH]1)C2 ZINC001169107169 969444464 /nfs/dbraw/zinc/44/44/64/969444464.db2.gz FOZWTDHDHHEXAS-CLLJXQQHSA-N 1 2 203.309 1.859 20 0 BDADLO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1=CC=C[CH]1)C2 ZINC001169107169 969444478 /nfs/dbraw/zinc/44/44/78/969444478.db2.gz FOZWTDHDHHEXAS-CLLJXQQHSA-N 1 2 203.309 1.859 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCC(C)(C)OC ZINC001209402744 969473837 /nfs/dbraw/zinc/47/38/37/969473837.db2.gz QLVMAQHIIMMJQQ-ZJUUUORDSA-N 1 2 247.310 1.387 20 0 BDADLO Cc1ccc(C[N@@H+](C2CC2)C2COC2)[nH]1 ZINC001209573890 969557269 /nfs/dbraw/zinc/55/72/69/969557269.db2.gz DHELECUGWIOQJR-UHFFFAOYSA-N 1 2 206.289 1.686 20 0 BDADLO COc1cc(C[NH+]2CC(O)C2)ccc1C ZINC000291436481 970171355 /nfs/dbraw/zinc/17/13/55/970171355.db2.gz JYLUYMWCNJHFNP-UHFFFAOYSA-N 1 2 207.273 1.180 20 0 BDADLO C[C@@H](C(=O)NC[C@@]1(C)CC1(C)C)n1cc[nH+]c1 ZINC001333556308 975845729 /nfs/dbraw/zinc/84/57/29/975845729.db2.gz BLLQOSCLPBLVQR-GXFFZTMASA-N 1 2 235.331 1.997 20 0 BDADLO COCc1ccc(C[N@H+](C)C2(C)COC2)o1 ZINC001231693735 977689782 /nfs/dbraw/zinc/68/97/82/977689782.db2.gz SLWIOGPTYCSCHT-UHFFFAOYSA-N 1 2 225.288 1.647 20 0 BDADLO COCc1ccc(C[N@@H+](C)C2(C)COC2)o1 ZINC001231693735 977689799 /nfs/dbraw/zinc/68/97/99/977689799.db2.gz SLWIOGPTYCSCHT-UHFFFAOYSA-N 1 2 225.288 1.647 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(C)n1 ZINC001232082134 977886237 /nfs/dbraw/zinc/88/62/37/977886237.db2.gz VMHJGTVWLRKFHC-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(C)n1 ZINC001232082134 977886242 /nfs/dbraw/zinc/88/62/42/977886242.db2.gz VMHJGTVWLRKFHC-NWDGAFQWSA-N 1 2 224.279 1.213 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@]23CCOC3)sn1 ZINC001232194874 977914510 /nfs/dbraw/zinc/91/45/10/977914510.db2.gz XNDPMZSTJNKHQQ-JTQLQIEISA-N 1 2 210.302 1.508 20 0 BDADLO c1cc(C[N@H+]2CC[C@@]23CCOC3)sn1 ZINC001232194874 977914520 /nfs/dbraw/zinc/91/45/20/977914520.db2.gz XNDPMZSTJNKHQQ-JTQLQIEISA-N 1 2 210.302 1.508 20 0 BDADLO COC1(OC)CC(CNc2cc[nH+]c(C)n2)C1 ZINC001336806782 977973948 /nfs/dbraw/zinc/97/39/48/977973948.db2.gz ZURYBYVQTUIYJF-UHFFFAOYSA-N 1 2 237.303 1.596 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(C)n1 ZINC001232332228 978010213 /nfs/dbraw/zinc/01/02/13/978010213.db2.gz ORWWZZMOTQCYOX-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)c(C)n1 ZINC001232332228 978010218 /nfs/dbraw/zinc/01/02/18/978010218.db2.gz ORWWZZMOTQCYOX-LLVKDONJSA-N 1 2 224.279 1.942 20 0 BDADLO Cc1[nH]c(CN2CCCC23COC3)c[nH+]1 ZINC001232461627 978100606 /nfs/dbraw/zinc/10/06/06/978100606.db2.gz BMJKOTQEYUWFFM-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1[nH]cc(CN2CCCC23COC3)[nH+]1 ZINC001232461627 978100609 /nfs/dbraw/zinc/10/06/09/978100609.db2.gz BMJKOTQEYUWFFM-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1[nH]c(CN2CCOCC23CC3)c[nH+]1 ZINC001232464584 978106369 /nfs/dbraw/zinc/10/63/69/978106369.db2.gz IPQBCKPSLDQYAE-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1[nH]cc(CN2CCOCC23CC3)[nH+]1 ZINC001232464584 978106381 /nfs/dbraw/zinc/10/63/81/978106381.db2.gz IPQBCKPSLDQYAE-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(Cl)ccnc1F ZINC001232615760 978197065 /nfs/dbraw/zinc/19/70/65/978197065.db2.gz QERPTUDJJOEBDF-SFYZADRCSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(Cl)ccnc1F ZINC001232615760 978197071 /nfs/dbraw/zinc/19/70/71/978197071.db2.gz QERPTUDJJOEBDF-SFYZADRCSA-N 1 2 244.697 1.829 20 0 BDADLO Oc1cnc(Cl)cc1C[NH+]1CC2(COC2)C1 ZINC001233033436 978422350 /nfs/dbraw/zinc/42/23/50/978422350.db2.gz NYHOZYHWMLANSS-UHFFFAOYSA-N 1 2 240.690 1.273 20 0 BDADLO CSC=CC(=O)Nc1c(C)c[nH+]cc1C ZINC001337639342 978439957 /nfs/dbraw/zinc/43/99/57/978439957.db2.gz IIKWHKXJQJPUIE-SNAWJCMRSA-N 1 2 222.313 1.936 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cc(C)c[nH]c1=O ZINC001233198144 978495945 /nfs/dbraw/zinc/49/59/45/978495945.db2.gz NUSKTISVZGZMAB-UHFFFAOYSA-N 1 2 238.287 1.091 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC001233314355 978545066 /nfs/dbraw/zinc/54/50/66/978545066.db2.gz SYYOWBNPGNBRJF-WPRPVWTQSA-N 1 2 245.706 1.108 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1O ZINC001233314355 978545080 /nfs/dbraw/zinc/54/50/80/978545080.db2.gz SYYOWBNPGNBRJF-WPRPVWTQSA-N 1 2 245.706 1.108 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC001233321315 978554779 /nfs/dbraw/zinc/55/47/79/978554779.db2.gz IVFBQCYXNYXNRG-SNVBAGLBSA-N 1 2 225.361 1.587 20 0 BDADLO Cc1cnsc1C[N@H+]1CCN(C)[C@H](C)C1 ZINC001233321315 978554786 /nfs/dbraw/zinc/55/47/86/978554786.db2.gz IVFBQCYXNYXNRG-SNVBAGLBSA-N 1 2 225.361 1.587 20 0 BDADLO CC[N@H+](Cc1sncc1C)C1CN(C)C1 ZINC001233322758 978561652 /nfs/dbraw/zinc/56/16/52/978561652.db2.gz RTRUMTJCOWJFMS-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO CC[N@@H+](Cc1sncc1C)C1CN(C)C1 ZINC001233322758 978561659 /nfs/dbraw/zinc/56/16/59/978561659.db2.gz RTRUMTJCOWJFMS-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO CCN(Cc1sncc1C)C1C[NH+](C)C1 ZINC001233322758 978561672 /nfs/dbraw/zinc/56/16/72/978561672.db2.gz RTRUMTJCOWJFMS-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233449494 978607050 /nfs/dbraw/zinc/60/70/50/978607050.db2.gz GUBYZOQISDMUKI-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cncc(Cl)n1 ZINC001233449494 978607054 /nfs/dbraw/zinc/60/70/54/978607054.db2.gz GUBYZOQISDMUKI-PSASIEDQSA-N 1 2 241.722 1.475 20 0 BDADLO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccon1 ZINC001179842514 978762599 /nfs/dbraw/zinc/76/25/99/978762599.db2.gz MJAGLTOIQLOZJZ-SECBINFHSA-N 1 2 228.292 1.552 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)COC(C)C ZINC001338993776 978768441 /nfs/dbraw/zinc/76/84/41/978768441.db2.gz XCUNDLCPCORDMZ-UHFFFAOYSA-N 1 2 222.288 1.484 20 0 BDADLO CC1(C)CC[N@H+](Cc2ncc(F)cn2)C1 ZINC001235002776 978947210 /nfs/dbraw/zinc/94/72/10/978947210.db2.gz GJRPPPHJEMOSBU-UHFFFAOYSA-N 1 2 209.268 1.848 20 0 BDADLO CC1(C)CC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001235002776 978947212 /nfs/dbraw/zinc/94/72/12/978947212.db2.gz GJRPPPHJEMOSBU-UHFFFAOYSA-N 1 2 209.268 1.848 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@H]2C)c(F)cn1 ZINC001235312227 979022806 /nfs/dbraw/zinc/02/28/06/979022806.db2.gz PNJWOCZYWVFQBC-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO COc1cc(C[N@H+]2CC[C@H]2C)c(F)cn1 ZINC001235312227 979022811 /nfs/dbraw/zinc/02/28/11/979022811.db2.gz PNJWOCZYWVFQBC-MRVPVSSYSA-N 1 2 210.252 1.824 20 0 BDADLO C[C@@H](C(=O)NC1(C2CC2)CC1)n1cc[nH+]c1 ZINC001340395413 979018787 /nfs/dbraw/zinc/01/87/87/979018787.db2.gz JLLJGHMRDLEBBF-VIFPVBQESA-N 1 2 219.288 1.503 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cncc(F)c2Cl)C1 ZINC001235493469 979056956 /nfs/dbraw/zinc/05/69/56/979056956.db2.gz BPWWBGBPYFBUCD-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cncc(F)c2Cl)C1 ZINC001235493469 979056963 /nfs/dbraw/zinc/05/69/63/979056963.db2.gz BPWWBGBPYFBUCD-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO CCOc1cc(C[N@@H+](C)CCO)c(Cl)cn1 ZINC001236258830 979476710 /nfs/dbraw/zinc/47/67/10/979476710.db2.gz IORWMADZLQTLCV-UHFFFAOYSA-N 1 2 244.722 1.558 20 0 BDADLO Sc1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236288243 979492635 /nfs/dbraw/zinc/49/26/35/979492635.db2.gz GGYDTUYDWSTPTE-ZYHUDNBSSA-N 1 2 220.341 1.379 20 0 BDADLO Clc1nccnc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001236622032 979681146 /nfs/dbraw/zinc/68/11/46/979681146.db2.gz RSGDQPWXKFTMNS-WCBMZHEXSA-N 1 2 239.706 1.351 20 0 BDADLO Clc1nccnc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001236622032 979681149 /nfs/dbraw/zinc/68/11/49/979681149.db2.gz RSGDQPWXKFTMNS-WCBMZHEXSA-N 1 2 239.706 1.351 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nccnc1Cl ZINC001236622627 979681178 /nfs/dbraw/zinc/68/11/78/979681178.db2.gz WGYAWMFAMLBRRP-IUCAKERBSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nccnc1Cl ZINC001236622627 979681180 /nfs/dbraw/zinc/68/11/80/979681180.db2.gz WGYAWMFAMLBRRP-IUCAKERBSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2nccnc2Cl)C1 ZINC001236614185 979681735 /nfs/dbraw/zinc/68/17/35/979681735.db2.gz RMSVBRLBCLMRBM-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2nccnc2Cl)C1 ZINC001236614185 979681744 /nfs/dbraw/zinc/68/17/44/979681744.db2.gz RMSVBRLBCLMRBM-JTQLQIEISA-N 1 2 227.695 1.087 20 0 BDADLO OCCN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237042528 979806463 /nfs/dbraw/zinc/80/64/63/979806463.db2.gz NSMRVQOTMIVGDE-LLVKDONJSA-N 1 2 248.317 1.174 20 0 BDADLO FCCN1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237191316 979841326 /nfs/dbraw/zinc/84/13/26/979841326.db2.gz LTMCGZWQXRQYEC-UHFFFAOYSA-N 1 2 244.335 1.655 20 0 BDADLO CC[C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC001342913137 979936606 /nfs/dbraw/zinc/93/66/06/979936606.db2.gz DWUCCIATHVZZMU-JTQLQIEISA-N 1 2 220.320 1.779 20 0 BDADLO CC[C@H]1CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC001342913137 979936612 /nfs/dbraw/zinc/93/66/12/979936612.db2.gz DWUCCIATHVZZMU-JTQLQIEISA-N 1 2 220.320 1.779 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)co2)C1 ZINC001237648840 979978727 /nfs/dbraw/zinc/97/87/27/979978727.db2.gz JVBFETCFUMDYHK-LLVKDONJSA-N 1 2 222.288 1.784 20 0 BDADLO O=C(CCF)OCCc1cn2c([nH+]1)CCCC2 ZINC001343659661 980182167 /nfs/dbraw/zinc/18/21/67/980182167.db2.gz RWGBKQCJHJGGOH-UHFFFAOYSA-N 1 2 240.278 1.665 20 0 BDADLO Nc1[nH+]cccc1CNc1cncc(Cl)n1 ZINC001186478761 980377574 /nfs/dbraw/zinc/37/75/74/980377574.db2.gz FHMWYRLOHOWQNE-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Cc1nn(C)c(C)c1CCn1cc[nH+]c1 ZINC001250315574 980755353 /nfs/dbraw/zinc/75/53/53/980755353.db2.gz PQDYOISUKACKPH-UHFFFAOYSA-N 1 2 204.277 1.476 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CCCCOC ZINC001346747664 980897844 /nfs/dbraw/zinc/89/78/44/980897844.db2.gz MQKNFRACXDNCJX-UHFFFAOYSA-N 1 2 240.303 1.763 20 0 BDADLO CS[C@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 ZINC001347104039 980972680 /nfs/dbraw/zinc/97/26/80/980972680.db2.gz JQBFGUWLQUYZTL-IUCAKERBSA-N 1 2 226.349 1.521 20 0 BDADLO CS[C@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 ZINC001347104039 980972686 /nfs/dbraw/zinc/97/26/86/980972686.db2.gz JQBFGUWLQUYZTL-IUCAKERBSA-N 1 2 226.349 1.521 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CCC(C)(F)F ZINC001347513975 981105790 /nfs/dbraw/zinc/10/57/90/981105790.db2.gz FMBWAHMYLOTUKF-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC(F)F ZINC001347608803 981127224 /nfs/dbraw/zinc/12/72/24/981127224.db2.gz YQYMSXNFGBLGOS-HTQZYQBOSA-N 1 2 243.257 1.295 20 0 BDADLO CC(C)OC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001193512416 981365568 /nfs/dbraw/zinc/36/55/68/981365568.db2.gz XNBHIMXGENTJHH-SNVBAGLBSA-N 1 2 232.299 1.555 20 0 BDADLO CC(C)OC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001193512416 981365571 /nfs/dbraw/zinc/36/55/71/981365571.db2.gz XNBHIMXGENTJHH-SNVBAGLBSA-N 1 2 232.299 1.555 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001348707686 981423924 /nfs/dbraw/zinc/42/39/24/981423924.db2.gz ROIIQXRMEODORR-MNOVXSKESA-N 1 2 235.331 1.515 20 0 BDADLO COc1cc(C[N@H+]2CC[C@]23CCOC3)sn1 ZINC001349586541 981587633 /nfs/dbraw/zinc/58/76/33/981587633.db2.gz KTNXJNLREIDMFO-LLVKDONJSA-N 1 2 240.328 1.517 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cn1cc(Cl)cn1 ZINC001349958418 981825595 /nfs/dbraw/zinc/82/55/95/981825595.db2.gz LKRMNSOCZOBEID-PSASIEDQSA-N 1 2 229.711 1.339 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cn1cc(Cl)cn1 ZINC001349958418 981825599 /nfs/dbraw/zinc/82/55/99/981825599.db2.gz LKRMNSOCZOBEID-PSASIEDQSA-N 1 2 229.711 1.339 20 0 BDADLO CC[C@@H](C)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195666711 982334080 /nfs/dbraw/zinc/33/40/80/982334080.db2.gz BQVDQXDCVYJDPA-GFCCVEGCSA-N 1 2 244.354 1.926 20 0 BDADLO CC[C@@H](C)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195666711 982334096 /nfs/dbraw/zinc/33/40/96/982334096.db2.gz BQVDQXDCVYJDPA-GFCCVEGCSA-N 1 2 244.354 1.926 20 0 BDADLO C[C@H]1CC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC001352014851 982437162 /nfs/dbraw/zinc/43/71/62/982437162.db2.gz ASKPOEQEBCWCHT-DTWKUNHWSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@H]1CC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC001352014851 982437165 /nfs/dbraw/zinc/43/71/65/982437165.db2.gz ASKPOEQEBCWCHT-DTWKUNHWSA-N 1 2 206.293 1.753 20 0 BDADLO C/C=C(\CC)C(=O)NCCc1[nH+]ccn1C ZINC001352868291 982612696 /nfs/dbraw/zinc/61/26/96/982612696.db2.gz PGTNIXZZHWVZSB-ONNFQVAWSA-N 1 2 221.304 1.435 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC/C=C/Cl ZINC001353174535 982745422 /nfs/dbraw/zinc/74/54/22/982745422.db2.gz RRFJUERNINZWGJ-GORDUTHDSA-N 1 2 227.695 1.221 20 0 BDADLO Nc1ccc(Nc2cnnc(Cl)c2)c[nH+]1 ZINC001201272217 983172910 /nfs/dbraw/zinc/17/29/10/983172910.db2.gz KQJGNQDWYHDOCJ-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO C[C@H](c1nc(Cc2cscn2)no1)[NH+](C)C ZINC001354184765 983187473 /nfs/dbraw/zinc/18/74/73/983187473.db2.gz MBZATBBWMSIHSM-SSDOTTSWSA-N 1 2 238.316 1.740 20 0 BDADLO CCC[C@@H](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC001354608542 983332882 /nfs/dbraw/zinc/33/28/82/983332882.db2.gz XGCZUZFPOLXVLT-BDAKNGLRSA-N 1 2 236.306 1.911 20 0 BDADLO CCOCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001172423473 974696197 /nfs/dbraw/zinc/69/61/97/974696197.db2.gz NBYAZNFUKCWVET-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001172423473 974696203 /nfs/dbraw/zinc/69/62/03/974696203.db2.gz NBYAZNFUKCWVET-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327513865 972606021 /nfs/dbraw/zinc/60/60/21/972606021.db2.gz ZVDFEFOFGYEXMZ-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327513865 972606024 /nfs/dbraw/zinc/60/60/24/972606024.db2.gz ZVDFEFOFGYEXMZ-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO CC(C)[C@H]1CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327554264 972633650 /nfs/dbraw/zinc/63/36/50/972633650.db2.gz MIBPSQPKUDVUDB-JTQLQIEISA-N 1 2 208.309 1.673 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327554264 972633662 /nfs/dbraw/zinc/63/36/62/972633662.db2.gz MIBPSQPKUDVUDB-JTQLQIEISA-N 1 2 208.309 1.673 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144544970 972858574 /nfs/dbraw/zinc/85/85/74/972858574.db2.gz NGCMMLJISQTJBD-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(F)F ZINC000232502525 973084077 /nfs/dbraw/zinc/08/40/77/973084077.db2.gz XEAPONRTIIPRGU-MRVPVSSYSA-N 1 2 245.273 1.679 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)no1 ZINC001328613982 973195675 /nfs/dbraw/zinc/19/56/75/973195675.db2.gz XPALDQVRKJXNNG-WCBMZHEXSA-N 1 2 239.319 1.986 20 0 BDADLO CCCC[C@@](C)(CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001328742259 973323450 /nfs/dbraw/zinc/32/34/50/973323450.db2.gz SUFSNZKHLYFSBB-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC001328784381 973343517 /nfs/dbraw/zinc/34/35/17/973343517.db2.gz DKQZVTLXCMPDFG-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC001328784381 973343529 /nfs/dbraw/zinc/34/35/29/973343529.db2.gz DKQZVTLXCMPDFG-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NCCC(F)F ZINC001256365417 970771492 /nfs/dbraw/zinc/77/14/92/970771492.db2.gz IBBZXYZWCNIIMN-UHFFFAOYSA-N 1 2 244.245 1.118 20 0 BDADLO O=S1(=O)CCC([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001256386268 970800596 /nfs/dbraw/zinc/80/05/96/970800596.db2.gz JWBFCHYHLJJLBC-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO O=S1(=O)CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001256386268 970800601 /nfs/dbraw/zinc/80/06/01/970800601.db2.gz JWBFCHYHLJJLBC-SNVBAGLBSA-N 1 2 249.351 1.388 20 0 BDADLO CN(C[C@@H]1CC=CCC1)c1cc(N)nc[nH+]1 ZINC000402643167 970820456 /nfs/dbraw/zinc/82/04/56/970820456.db2.gz DFYIVDCIDMAMSD-SNVBAGLBSA-N 1 2 218.304 1.851 20 0 BDADLO C[C@H](Cc1ccccn1)[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001256421496 970825207 /nfs/dbraw/zinc/82/52/07/970825207.db2.gz KOFKYTXTYAUCDX-NEPJUHHUSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@H](Cc1ccccn1)[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001256421496 970825214 /nfs/dbraw/zinc/82/52/14/970825214.db2.gz KOFKYTXTYAUCDX-NEPJUHHUSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001256421498 970826248 /nfs/dbraw/zinc/82/62/48/970826248.db2.gz KOFKYTXTYAUCDX-RYUDHWBXSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@@H](Cc1ccccn1)[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001256421498 970826253 /nfs/dbraw/zinc/82/62/53/970826253.db2.gz KOFKYTXTYAUCDX-RYUDHWBXSA-N 1 2 247.342 1.175 20 0 BDADLO C[C@H](Cc1ccccn1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001256418484 970827002 /nfs/dbraw/zinc/82/70/02/970827002.db2.gz WHMVZCVEBILLPO-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H](Cc1ccccn1)[N@H+]1Cc2cnn(C)c2C1 ZINC001256418484 970827006 /nfs/dbraw/zinc/82/70/06/970827006.db2.gz WHMVZCVEBILLPO-LLVKDONJSA-N 1 2 242.326 1.762 20 0 BDADLO Nc1cc(-c2cc(F)cc(CO)c2)cc[nH+]1 ZINC001243695617 970849277 /nfs/dbraw/zinc/84/92/77/970849277.db2.gz MMAHEWKPGMMHHJ-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccco1 ZINC001129538228 970852870 /nfs/dbraw/zinc/85/28/70/970852870.db2.gz KQHZMZJQEQXSLF-SNVBAGLBSA-N 1 2 247.298 1.476 20 0 BDADLO C[C@@H]1C[C@@H]1c1nnc(CC[NH+]2CCOCC2)o1 ZINC001256610370 970874301 /nfs/dbraw/zinc/87/43/01/970874301.db2.gz POHWVWGQLUXBFK-ZJUUUORDSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H]1C[C@@H]1c1nnc(CC[NH+]2CCOCC2)o1 ZINC001256610366 970876250 /nfs/dbraw/zinc/87/62/50/970876250.db2.gz POHWVWGQLUXBFK-UWVGGRQHSA-N 1 2 237.303 1.068 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC001256721459 970941785 /nfs/dbraw/zinc/94/17/85/970941785.db2.gz ODCRRMOKBGZCEK-MNOVXSKESA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1[C@H](C)Cc1ccncc1 ZINC001256734803 970958038 /nfs/dbraw/zinc/95/80/38/970958038.db2.gz CKZFMTPJMBENLP-PWSUYJOCSA-N 1 2 234.299 1.260 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1[C@H](C)Cc1ccncc1 ZINC001256734803 970958048 /nfs/dbraw/zinc/95/80/48/970958048.db2.gz CKZFMTPJMBENLP-PWSUYJOCSA-N 1 2 234.299 1.260 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)CCOCCO ZINC000403595201 970989301 /nfs/dbraw/zinc/98/93/01/970989301.db2.gz FQZBJASYKGEJCN-UHFFFAOYSA-N 1 2 228.119 1.246 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)CCOCCO ZINC000403595201 970989309 /nfs/dbraw/zinc/98/93/09/970989309.db2.gz FQZBJASYKGEJCN-UHFFFAOYSA-N 1 2 228.119 1.246 20 0 BDADLO CSc1cnc(C2=C[NH2+]CCC2)cn1 ZINC001243951675 971044906 /nfs/dbraw/zinc/04/49/06/971044906.db2.gz ZAGYZHFZMPHIME-UHFFFAOYSA-N 1 2 207.302 1.923 20 0 BDADLO CC(C)Cn1cc(C2=C[NH2+]CCC2)cnc1=O ZINC001243952439 971045160 /nfs/dbraw/zinc/04/51/60/971045160.db2.gz PQWZIBDLXFJFDO-UHFFFAOYSA-N 1 2 233.315 1.624 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(\C)C(=O)OC)[C@@H](C)CO1 ZINC000403914894 971087600 /nfs/dbraw/zinc/08/76/00/971087600.db2.gz CFJNSHUZPVRBHR-RBWIOGKGSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(\C)C(=O)OC)[C@@H](C)CO1 ZINC000403914894 971087612 /nfs/dbraw/zinc/08/76/12/971087612.db2.gz CFJNSHUZPVRBHR-RBWIOGKGSA-N 1 2 241.331 1.605 20 0 BDADLO CC(C)COC(=O)NCCc1cn(C)c[nH+]1 ZINC000170274036 973935066 /nfs/dbraw/zinc/93/50/66/973935066.db2.gz MKFXULCILHOBDA-UHFFFAOYSA-N 1 2 225.292 1.345 20 0 BDADLO CCC[C@@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001257245200 971138383 /nfs/dbraw/zinc/13/83/83/971138383.db2.gz LACRHRZPZBNHRL-BBBLOLIVSA-N 1 2 217.309 1.077 20 0 BDADLO CCC[C@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001257245604 971141473 /nfs/dbraw/zinc/14/14/73/971141473.db2.gz RSVYQGZLEOKYON-UWVGGRQHSA-N 1 2 217.309 1.079 20 0 BDADLO CCC[C@H](CC)[N@@H+]1CCOC[C@]1(C)C(=O)OC ZINC001257268213 971172552 /nfs/dbraw/zinc/17/25/52/971172552.db2.gz DXRZBRNRCMOCBH-WCQYABFASA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@H](CC)[N@H+]1CCOC[C@]1(C)C(=O)OC ZINC001257268213 971172559 /nfs/dbraw/zinc/17/25/59/971172559.db2.gz DXRZBRNRCMOCBH-WCQYABFASA-N 1 2 243.347 1.829 20 0 BDADLO O[C@H](C[N@@H+]1CCCC(F)(F)C1)C1CC1 ZINC000405053627 971187926 /nfs/dbraw/zinc/18/79/26/971187926.db2.gz LHKRCLPMOPLTMK-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@H](C[N@H+]1CCCC(F)(F)C1)C1CC1 ZINC000405053627 971187935 /nfs/dbraw/zinc/18/79/35/971187935.db2.gz LHKRCLPMOPLTMK-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO CC[C@H]([NH2+]CCSC)c1noc(C)n1 ZINC000308723694 971288463 /nfs/dbraw/zinc/28/84/63/971288463.db2.gz FMBRLOGAJILXND-QMMMGPOBSA-N 1 2 215.322 1.782 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000308766768 971297250 /nfs/dbraw/zinc/29/72/50/971297250.db2.gz SEJWJUBNWPJROH-WCQGTBRESA-N 1 2 241.331 1.341 20 0 BDADLO FCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000810133954 971315013 /nfs/dbraw/zinc/31/50/13/971315013.db2.gz STYXELSRRBFRLO-VIFPVBQESA-N 1 2 217.675 1.753 20 0 BDADLO FCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000810133954 971315018 /nfs/dbraw/zinc/31/50/18/971315018.db2.gz STYXELSRRBFRLO-VIFPVBQESA-N 1 2 217.675 1.753 20 0 BDADLO [NH3+][C@H](CO)c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001217697067 971336207 /nfs/dbraw/zinc/33/62/07/971336207.db2.gz UQVWRGWQVYMZKY-HBNTYKKESA-N 1 2 245.282 1.333 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N(C)[C@H]1CCOC1 ZINC001158575292 971332032 /nfs/dbraw/zinc/33/20/32/971332032.db2.gz WXERUIQCPDSCDL-NSHDSACASA-N 1 2 249.314 1.574 20 0 BDADLO CCc1nnc([C@H]([NH3+])[C@@H](C)OC(C)(C)C)o1 ZINC001217700494 971341656 /nfs/dbraw/zinc/34/16/56/971341656.db2.gz GHPBXYMNVQHLCX-VXNVDRBHSA-N 1 2 227.308 1.835 20 0 BDADLO CC[C@@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001257434406 971343911 /nfs/dbraw/zinc/34/39/11/971343911.db2.gz ZMDSLNOYRZJWNB-BDAKNGLRSA-N 1 2 217.309 1.077 20 0 BDADLO CC[C@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001257434412 971344112 /nfs/dbraw/zinc/34/41/12/971344112.db2.gz ZMDSLNOYRZJWNB-IUCAKERBSA-N 1 2 217.309 1.077 20 0 BDADLO COC[C@H]([NH3+])c1nnc(CC2CCCC2)o1 ZINC001217715120 971354515 /nfs/dbraw/zinc/35/45/15/971354515.db2.gz SJPPZIXJMNBMGA-VIFPVBQESA-N 1 2 225.292 1.449 20 0 BDADLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001217730575 971373213 /nfs/dbraw/zinc/37/32/13/971373213.db2.gz VCFVYJHVWHVAAM-LWIVVEGESA-N 1 2 239.275 1.144 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)co1 ZINC001206073615 971394319 /nfs/dbraw/zinc/39/43/19/971394319.db2.gz ALPRVBKSSUVGFI-GXSJLCMTSA-N 1 2 208.261 1.204 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)co1 ZINC001206073615 971394330 /nfs/dbraw/zinc/39/43/30/971394330.db2.gz ALPRVBKSSUVGFI-GXSJLCMTSA-N 1 2 208.261 1.204 20 0 BDADLO CC(C)(O)CCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217854076 971444813 /nfs/dbraw/zinc/44/48/13/971444813.db2.gz CJZWCEUEVACYNS-SECBINFHSA-N 1 2 237.290 1.551 20 0 BDADLO CC(C)(O)CCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217854077 971446506 /nfs/dbraw/zinc/44/65/06/971446506.db2.gz CJZWCEUEVACYNS-VIFPVBQESA-N 1 2 237.290 1.551 20 0 BDADLO CNC(=O)[C@H](C)Nc1ccc(C(C)C)c[nH+]1 ZINC001158984296 971604379 /nfs/dbraw/zinc/60/43/79/971604379.db2.gz MVEOPWNINKPFAG-VIFPVBQESA-N 1 2 221.304 1.751 20 0 BDADLO CCc1nccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245535091 971847101 /nfs/dbraw/zinc/84/71/01/971847101.db2.gz FRRPWFZRPQFSLY-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO CC[C@H](C)OCC[C@@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001172322982 974533599 /nfs/dbraw/zinc/53/35/99/974533599.db2.gz ZPAQWZAPIIMTLH-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO FC1(F)C[NH2+]CCN([C@@H]2CCCOCC2)C1 ZINC001170808227 971867241 /nfs/dbraw/zinc/86/72/41/971867241.db2.gz HRKYSCCPCKCTRS-SNVBAGLBSA-N 1 2 234.290 1.096 20 0 BDADLO CC(C)c1cccc(NC(=O)[C@@H]2COCC[NH2+]2)n1 ZINC001218587291 971876784 /nfs/dbraw/zinc/87/67/84/971876784.db2.gz XIJKEBWKOOKXIZ-NSHDSACASA-N 1 2 249.314 1.132 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(CO)cc1 ZINC001219048892 971974864 /nfs/dbraw/zinc/97/48/64/971974864.db2.gz MUFIZLPVHRHWKZ-UHFFFAOYSA-N 1 2 245.282 1.473 20 0 BDADLO C[C@@H]1CCCC[C@@H]1CNC(=O)C1(F)C[NH2+]C1 ZINC001219673648 972075629 /nfs/dbraw/zinc/07/56/29/972075629.db2.gz LVCHTFKGRPGGQL-NXEZZACHSA-N 1 2 228.311 1.240 20 0 BDADLO C[C@H](c1cccc(O)c1)n1[nH]c(C[NH3+])cc1=O ZINC001245924215 972100510 /nfs/dbraw/zinc/10/05/10/972100510.db2.gz NQWOLXHDBOIWIP-MRVPVSSYSA-N 1 2 233.271 1.362 20 0 BDADLO O=c1cc(C2C[NH2+]C2)[nH]n1CC1CCCC1 ZINC001245927627 972101211 /nfs/dbraw/zinc/10/12/11/972101211.db2.gz UGVVIVLAQUZIQS-UHFFFAOYSA-N 1 2 221.304 1.466 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820506153 972137194 /nfs/dbraw/zinc/13/71/94/972137194.db2.gz DWLVLTAYGZWBTR-MRVPVSSYSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C2(F)C[NH2+]C2)CC(C)(C)C1 ZINC001220288972 972204174 /nfs/dbraw/zinc/20/41/74/972204174.db2.gz OMBHDDFVEOJPCB-ZJUUUORDSA-N 1 2 242.338 1.629 20 0 BDADLO O=C(/C=C/[C@@H]1CCOC1)OCCn1cc[nH+]c1 ZINC001344869180 956872376 /nfs/dbraw/zinc/87/23/76/956872376.db2.gz NWRWDDMJWIFCAG-FMBMQGQPSA-N 1 2 236.271 1.019 20 0 BDADLO C[C@H]1CC(C[N@@H+]2CCC(=O)C2)C[C@H](C)O1 ZINC000724473898 957015845 /nfs/dbraw/zinc/01/58/45/957015845.db2.gz FYFNPGSVIGXPKA-UWVGGRQHSA-N 1 2 211.305 1.465 20 0 BDADLO C[C@H]1CC(C[N@H+]2CCC(=O)C2)C[C@H](C)O1 ZINC000724473898 957015856 /nfs/dbraw/zinc/01/58/56/957015856.db2.gz FYFNPGSVIGXPKA-UWVGGRQHSA-N 1 2 211.305 1.465 20 0 BDADLO CC[N@H+](Cc1cccnc1)Cc1cccnn1 ZINC001139972008 957186103 /nfs/dbraw/zinc/18/61/03/957186103.db2.gz XORATJXXDLHMPU-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1cccnc1)Cc1cccnn1 ZINC001139972008 957186109 /nfs/dbraw/zinc/18/61/09/957186109.db2.gz XORATJXXDLHMPU-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001206854714 957478321 /nfs/dbraw/zinc/47/83/21/957478321.db2.gz MVDPNSUFABYLKU-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001206854714 957478330 /nfs/dbraw/zinc/47/83/30/957478330.db2.gz MVDPNSUFABYLKU-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO C#CC[NH+](CC#C)Cc1ccc(F)c(OC)c1 ZINC000093475601 957490359 /nfs/dbraw/zinc/49/03/59/957490359.db2.gz SMRNLNAHNLXHNI-UHFFFAOYSA-N 1 2 231.270 1.903 20 0 BDADLO CCN(CC(C)(C)O)c1ccc(Cl)c(N)[nH+]1 ZINC001167160173 957506358 /nfs/dbraw/zinc/50/63/58/957506358.db2.gz RCIHBPLSUUGJBQ-UHFFFAOYSA-N 1 2 243.738 1.914 20 0 BDADLO CO[C@H](C)CN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001136844602 972273275 /nfs/dbraw/zinc/27/32/75/972273275.db2.gz SJDCKDVPTBNSBK-SNVBAGLBSA-N 1 2 239.319 1.224 20 0 BDADLO COc1cc[nH+]cc1NCc1cccnn1 ZINC001167324395 957757207 /nfs/dbraw/zinc/75/72/07/957757207.db2.gz IBNSFOVPCVPRRL-UHFFFAOYSA-N 1 2 216.244 1.492 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001207016476 957761016 /nfs/dbraw/zinc/76/10/16/957761016.db2.gz YYJVXUASGKNWQD-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001207016476 957761023 /nfs/dbraw/zinc/76/10/23/957761023.db2.gz YYJVXUASGKNWQD-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO COc1c[nH+]c(NC2CC(=O)C2)nc1NC1CC1 ZINC001167333821 957786594 /nfs/dbraw/zinc/78/65/94/957786594.db2.gz GMAXLOIFIIEBHA-UHFFFAOYSA-N 1 2 248.286 1.203 20 0 BDADLO C[C@@H](C(=O)NCCc1ccco1)n1cc[nH+]c1 ZINC000044835487 957852245 /nfs/dbraw/zinc/85/22/45/957852245.db2.gz MQFOADWGWCXSBU-JTQLQIEISA-N 1 2 233.271 1.396 20 0 BDADLO Fc1ccccc1CN1CC[NH2+]CC(F)(F)C1 ZINC001210814769 957911874 /nfs/dbraw/zinc/91/18/74/957911874.db2.gz JCMVAIWFGMLXAK-UHFFFAOYSA-N 1 2 244.260 1.866 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1C ZINC001136955850 972302959 /nfs/dbraw/zinc/30/29/59/972302959.db2.gz PWYZVGPPPYLMEW-MWLCHTKSSA-N 1 2 235.331 1.908 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000382346846 957941490 /nfs/dbraw/zinc/94/14/90/957941490.db2.gz NOLDQTHHNFCQGE-VIFPVBQESA-N 1 2 211.305 1.860 20 0 BDADLO COc1ncc(C[NH+]2CC3(COC3)C2)cc1C ZINC001136998622 972312615 /nfs/dbraw/zinc/31/26/15/972312615.db2.gz AGLJNEAVTGYXRJ-UHFFFAOYSA-N 1 2 234.299 1.231 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)oc1C ZINC001204535982 958003620 /nfs/dbraw/zinc/00/36/20/958003620.db2.gz BHJPLFAFEIGWOB-VXGBXAGGSA-N 1 2 227.279 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)oc1C ZINC001204535982 958003630 /nfs/dbraw/zinc/00/36/30/958003630.db2.gz BHJPLFAFEIGWOB-VXGBXAGGSA-N 1 2 227.279 1.801 20 0 BDADLO [NH3+]CCCCNC(=O)c1c(F)ccc(F)c1O ZINC001221346394 972322547 /nfs/dbraw/zinc/32/25/47/972322547.db2.gz BOVAJEZNMDCUPR-UHFFFAOYSA-N 1 2 244.241 1.139 20 0 BDADLO Cc1nc(N2CCC[C@H]2C2CC2)nc(N)[nH+]1 ZINC000706685852 958145031 /nfs/dbraw/zinc/14/50/31/958145031.db2.gz VEDSMQOMMLKUTP-VIFPVBQESA-N 1 2 219.292 1.141 20 0 BDADLO [NH3+]CCCCNC(=O)c1ccc(O)c(F)c1F ZINC001221346510 972323594 /nfs/dbraw/zinc/32/35/94/972323594.db2.gz JYRXLCQMQYZGEU-UHFFFAOYSA-N 1 2 244.241 1.139 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c[nH]nn1 ZINC000398327156 958216679 /nfs/dbraw/zinc/21/66/79/958216679.db2.gz OQDOBCVRZGETRF-RKDXNWHRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cn[nH]n1 ZINC000398327156 958216693 /nfs/dbraw/zinc/21/66/93/958216693.db2.gz OQDOBCVRZGETRF-RKDXNWHRSA-N 1 2 208.309 1.719 20 0 BDADLO C[N@@H+]1CCO[C@H](CSc2nccnc2F)C1 ZINC000402592155 958281925 /nfs/dbraw/zinc/28/19/25/958281925.db2.gz MGGNKJDTNFFHBZ-QMMMGPOBSA-N 1 2 243.307 1.038 20 0 BDADLO C[N@H+]1CCO[C@H](CSc2nccnc2F)C1 ZINC000402592155 958281938 /nfs/dbraw/zinc/28/19/38/958281938.db2.gz MGGNKJDTNFFHBZ-QMMMGPOBSA-N 1 2 243.307 1.038 20 0 BDADLO Nc1cc(Cl)[nH+]c(N[C@H]2C[C@@H](CO)C2)c1 ZINC000707560594 958590055 /nfs/dbraw/zinc/59/00/55/958590055.db2.gz XKAZTVAXFJILLA-WRXNHJIOSA-N 1 2 227.695 1.500 20 0 BDADLO COC[C@@]1(c2nc(C3CC3)no2)CCCC[NH2+]1 ZINC000692353286 958643731 /nfs/dbraw/zinc/64/37/31/958643731.db2.gz HYFJNYCNANZEKN-GFCCVEGCSA-N 1 2 237.303 1.562 20 0 BDADLO c1cn2c(n1)[C@H](OCCn1cc[nH+]c1)CC2 ZINC001222128693 972371127 /nfs/dbraw/zinc/37/11/27/972371127.db2.gz CHAGXMDPVJINBO-SNVBAGLBSA-N 1 2 218.260 1.241 20 0 BDADLO CO[C@H](C)CO[C@H](C)COCCn1cc[nH+]c1 ZINC001222138299 972369249 /nfs/dbraw/zinc/36/92/49/972369249.db2.gz DTBYGHXVZWOFIH-VXGBXAGGSA-N 1 2 242.319 1.340 20 0 BDADLO C[C@H](OCCn1cc[nH+]c1)C(F)(F)F ZINC001222135071 972373254 /nfs/dbraw/zinc/37/32/54/972373254.db2.gz VDYSQCOEOJHVAO-ZETCQYMHSA-N 1 2 208.183 1.851 20 0 BDADLO COC1(C[N@@H+]2CCC(F)(F)C2)CCC1 ZINC000336271028 958844416 /nfs/dbraw/zinc/84/44/16/958844416.db2.gz PSPIRBHBNFACLS-UHFFFAOYSA-N 1 2 205.248 1.897 20 0 BDADLO COC1(C[N@H+]2CCC(F)(F)C2)CCC1 ZINC000336271028 958844430 /nfs/dbraw/zinc/84/44/30/958844430.db2.gz PSPIRBHBNFACLS-UHFFFAOYSA-N 1 2 205.248 1.897 20 0 BDADLO CC[C@H](CC(C)C)[N@@H+]1CCOC[C@H]1C(=O)OC ZINC001172408213 974669360 /nfs/dbraw/zinc/66/93/60/974669360.db2.gz RJLQXXFIZOQEHQ-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](CC(C)C)[N@H+]1CCOC[C@H]1C(=O)OC ZINC001172408213 974669368 /nfs/dbraw/zinc/66/93/68/974669368.db2.gz RJLQXXFIZOQEHQ-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CCc1nc(NCc2cc[nH+]c(N)c2)ncc1F ZINC001167613175 959061581 /nfs/dbraw/zinc/06/15/81/959061581.db2.gz ILDVGDUEFOJQQX-UHFFFAOYSA-N 1 2 247.277 1.767 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC000693631851 959062052 /nfs/dbraw/zinc/06/20/52/959062052.db2.gz RUDPFWWDXLWEQK-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Cc1cnc(C[N@H+]2CCCC3(C2)OCCO3)cn1 ZINC000693631851 959062057 /nfs/dbraw/zinc/06/20/57/959062057.db2.gz RUDPFWWDXLWEQK-UHFFFAOYSA-N 1 2 249.314 1.124 20 0 BDADLO Nc1cc(CNc2cc(Cl)cnn2)cc[nH+]1 ZINC001167615963 959074484 /nfs/dbraw/zinc/07/44/84/959074484.db2.gz ZIZKZAGHMDANOM-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO COCc1cnc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167615072 959077281 /nfs/dbraw/zinc/07/72/81/959077281.db2.gz XWHIGKRMPAEWMG-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO CCc1ncnc(NCc2cc[nH+]c(N)c2)c1F ZINC001167615115 959079995 /nfs/dbraw/zinc/07/99/95/959079995.db2.gz QGWFJOLZYWQMAA-UHFFFAOYSA-N 1 2 247.277 1.767 20 0 BDADLO COc1ccnc(NCc2cc[nH+]c(N)c2)c1F ZINC001167617125 959082792 /nfs/dbraw/zinc/08/27/92/959082792.db2.gz KRLWHFVMSDLNTJ-UHFFFAOYSA-N 1 2 248.261 1.819 20 0 BDADLO CN(C)c1cnc(NCc2cc[nH+]c(N)c2)cn1 ZINC001167617568 959089861 /nfs/dbraw/zinc/08/98/61/959089861.db2.gz PQNDQYGLNNLJNZ-UHFFFAOYSA-N 1 2 244.302 1.132 20 0 BDADLO Nc1ccc(F)c(C[NH+]2CC=CC2)c1F ZINC000308899793 959282462 /nfs/dbraw/zinc/28/24/62/959282462.db2.gz DJYJZTYWCOXSDA-UHFFFAOYSA-N 1 2 210.227 1.919 20 0 BDADLO [NH3+][C@H](CC(=O)NCC[C@@H]1CC1(F)F)C(F)F ZINC000724738934 959327160 /nfs/dbraw/zinc/32/71/60/959327160.db2.gz JWZCZZFOYQDPQR-PHDIDXHHSA-N 1 2 242.216 1.130 20 0 BDADLO C[C@@H]1CN(c2cc(N)cc(Cl)[nH+]2)[C@H](C)CO1 ZINC000300349275 959363913 /nfs/dbraw/zinc/36/39/13/959363913.db2.gz CQLBEAILDUMBIN-HTQZYQBOSA-N 1 2 241.722 1.931 20 0 BDADLO CCC(C)(C)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724772688 959432552 /nfs/dbraw/zinc/43/25/52/959432552.db2.gz YJLZHGVEDJMZNK-HTQZYQBOSA-N 1 2 236.306 1.910 20 0 BDADLO c1nsnc1CSCC[NH+]1CCOCC1 ZINC001327131798 972429212 /nfs/dbraw/zinc/42/92/12/972429212.db2.gz UQQROWQSWVHISN-UHFFFAOYSA-N 1 2 245.373 1.104 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1CCc2n[nH]cc2C1 ZINC001351161935 959516255 /nfs/dbraw/zinc/51/62/55/959516255.db2.gz QZFBIJBJGMQFGY-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO CCc1onc(C)c1C[N@H+]1CCc2n[nH]cc2C1 ZINC001351161935 959516263 /nfs/dbraw/zinc/51/62/63/959516263.db2.gz QZFBIJBJGMQFGY-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001140691065 959547689 /nfs/dbraw/zinc/54/76/89/959547689.db2.gz WFWKZANGSJOGMZ-SCZZXKLOSA-N 1 2 225.267 1.275 20 0 BDADLO COc1nccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001140691065 959547699 /nfs/dbraw/zinc/54/76/99/959547699.db2.gz WFWKZANGSJOGMZ-SCZZXKLOSA-N 1 2 225.267 1.275 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)CCO)C(=O)OC ZINC000300010930 959629640 /nfs/dbraw/zinc/62/96/40/959629640.db2.gz UVTODZMOFULSSH-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO O=C1N[C@H](Nc2cc[nH+]cc2F)c2ccccc21 ZINC001171125292 972450391 /nfs/dbraw/zinc/45/03/91/972450391.db2.gz ADFFOEWDRKRTQK-LBPRGKRZSA-N 1 2 243.241 1.497 20 0 BDADLO O=C1N[C@@H](Nc2cc[nH+]cc2F)c2ccccc21 ZINC001171125291 972450755 /nfs/dbraw/zinc/45/07/55/972450755.db2.gz ADFFOEWDRKRTQK-GFCCVEGCSA-N 1 2 243.241 1.497 20 0 BDADLO COC(=O)Cc1ccc(NCC(C)C)[nH+]c1 ZINC000309438050 959875449 /nfs/dbraw/zinc/87/54/49/959875449.db2.gz HULBMOZXVJZWIC-UHFFFAOYSA-N 1 2 222.288 1.865 20 0 BDADLO C/C(=C\C=C\[NH3+])N[C@H]1NC(=O)c2ccccc21 ZINC001171126767 972467485 /nfs/dbraw/zinc/46/74/85/972467485.db2.gz OKMCEWWPEYPBLL-AFCBDNRUSA-N 1 2 229.283 1.394 20 0 BDADLO CCCCC1(C(=O)NC2C[NH+](CC)C2)CC1 ZINC001267659620 960180204 /nfs/dbraw/zinc/18/02/04/960180204.db2.gz YUDZFFYKQQDYES-UHFFFAOYSA-N 1 2 224.348 1.777 20 0 BDADLO Cc1[nH]c(CNCc2ccno2)[nH+]c1C ZINC000709052051 960241348 /nfs/dbraw/zinc/24/13/48/960241348.db2.gz AVMDXRGKISYVKG-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO CC(C)NC(=O)c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001140612762 960460817 /nfs/dbraw/zinc/46/08/17/960460817.db2.gz ZSKRPPBNDQKODP-UHFFFAOYSA-N 1 2 248.326 1.001 20 0 BDADLO F[C@H]1CCN(C2C[NH+](Cc3cc[nH]c3)C2)C1 ZINC001140707550 960519946 /nfs/dbraw/zinc/51/99/46/960519946.db2.gz RLVWQJQTMORMNB-NSHDSACASA-N 1 2 223.295 1.243 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3cc[nH]c3)C2)C1 ZINC001140707550 960519961 /nfs/dbraw/zinc/51/99/61/960519961.db2.gz RLVWQJQTMORMNB-NSHDSACASA-N 1 2 223.295 1.243 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3cc[nH]c3)C2)C1 ZINC001140707550 960519972 /nfs/dbraw/zinc/51/99/72/960519972.db2.gz RLVWQJQTMORMNB-NSHDSACASA-N 1 2 223.295 1.243 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)c[nH]1 ZINC001140709271 960530206 /nfs/dbraw/zinc/53/02/06/960530206.db2.gz VDOKYZWKZBHJBV-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H](c3ccncc3)C2)c[nH]1 ZINC001140709271 960530212 /nfs/dbraw/zinc/53/02/12/960530212.db2.gz VDOKYZWKZBHJBV-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO CCC[N@H+](CCOC)Cc1cc(C)[nH]n1 ZINC001203066402 960573720 /nfs/dbraw/zinc/57/37/20/960573720.db2.gz CINSYFBOIQTCJD-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO CCC[N@@H+](CCOC)Cc1cc(C)[nH]n1 ZINC001203066402 960573733 /nfs/dbraw/zinc/57/37/33/960573733.db2.gz CINSYFBOIQTCJD-UHFFFAOYSA-N 1 2 211.309 1.577 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140776958 960566187 /nfs/dbraw/zinc/56/61/87/960566187.db2.gz CVDONBIDUQUPRP-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001140776958 960566189 /nfs/dbraw/zinc/56/61/89/960566189.db2.gz CVDONBIDUQUPRP-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO CC(=O)N1CC[NH+](Cc2[nH]cc(C)c2C)CC1 ZINC001140860455 960641174 /nfs/dbraw/zinc/64/11/74/960641174.db2.gz OMHSKBQYEYHKHO-UHFFFAOYSA-N 1 2 235.331 1.296 20 0 BDADLO Cc1cc(C[N@@H+]2CCn3cccc3C2)[nH]n1 ZINC001203075911 960675261 /nfs/dbraw/zinc/67/52/61/960675261.db2.gz RAJRQCUCDQATKA-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1cc(C[N@H+]2CCn3cccc3C2)[nH]n1 ZINC001203075911 960675273 /nfs/dbraw/zinc/67/52/73/960675273.db2.gz RAJRQCUCDQATKA-UHFFFAOYSA-N 1 2 216.288 1.535 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)n[nH]1 ZINC001203077208 960688827 /nfs/dbraw/zinc/68/88/27/960688827.db2.gz SHVWEACJOLCMEK-JTQLQIEISA-N 1 2 227.258 1.949 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n[nH]1 ZINC001203077208 960688836 /nfs/dbraw/zinc/68/88/36/960688836.db2.gz SHVWEACJOLCMEK-JTQLQIEISA-N 1 2 227.258 1.949 20 0 BDADLO CO[C@H](C)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178388710 960691245 /nfs/dbraw/zinc/69/12/45/960691245.db2.gz UZJDSHFKOSUBFM-SNVBAGLBSA-N 1 2 247.298 1.376 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC001140934156 960721624 /nfs/dbraw/zinc/72/16/24/960721624.db2.gz VTYAQBOBSIZHEI-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC001140934156 960721636 /nfs/dbraw/zinc/72/16/36/960721636.db2.gz VTYAQBOBSIZHEI-LLVKDONJSA-N 1 2 208.261 1.285 20 0 BDADLO O=C1CCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141046236 960833570 /nfs/dbraw/zinc/83/35/70/960833570.db2.gz RGTYTAVWLAAHKJ-UHFFFAOYSA-N 1 2 215.256 1.109 20 0 BDADLO CCn1ncc(CNc2ccc([NH+](C)C)cc2)n1 ZINC000838872808 961101340 /nfs/dbraw/zinc/10/13/40/961101340.db2.gz JLRDDKOQBALNGR-UHFFFAOYSA-N 1 2 245.330 1.976 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001141738190 961144322 /nfs/dbraw/zinc/14/43/22/961144322.db2.gz YZMQXWHPBIBDTN-VXGBXAGGSA-N 1 2 247.342 1.908 20 0 BDADLO Cn1c2ccccc2nc1COC1C[NH+](C)C1 ZINC001223348720 961235464 /nfs/dbraw/zinc/23/54/64/961235464.db2.gz JSLIAHYXLXEBHE-UHFFFAOYSA-N 1 2 231.299 1.404 20 0 BDADLO [NH2+]=CNc1ncnc2cc3c(cc21)OCO3 ZINC001167863595 961325744 /nfs/dbraw/zinc/32/57/44/961325744.db2.gz DVEKNOPMFBYGRW-UHFFFAOYSA-N 1 2 216.200 1.377 20 0 BDADLO COC[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001142503866 961456967 /nfs/dbraw/zinc/45/69/67/961456967.db2.gz HPFMHPIRFZSSEJ-SNVBAGLBSA-N 1 2 247.298 1.347 20 0 BDADLO CCC[NH+]1CC(NC(=O)[C@H](CC)SC)C1 ZINC001268280266 961530896 /nfs/dbraw/zinc/53/08/96/961530896.db2.gz HYSNOJLRSMNONQ-JTQLQIEISA-N 1 2 230.377 1.338 20 0 BDADLO CC(C)C1(C(=O)NCCc2[nH+]ccn2C)CCC1 ZINC001142654575 961552275 /nfs/dbraw/zinc/55/22/75/961552275.db2.gz ADZNRCAAICBFRO-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142672658 961576939 /nfs/dbraw/zinc/57/69/39/961576939.db2.gz HXFGGMGCYSZPOG-GXSJLCMTSA-N 1 2 235.262 1.078 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142672658 961576949 /nfs/dbraw/zinc/57/69/49/961576949.db2.gz HXFGGMGCYSZPOG-GXSJLCMTSA-N 1 2 235.262 1.078 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)s1 ZINC001139814224 961693462 /nfs/dbraw/zinc/69/34/62/961693462.db2.gz ZSLVEVYHNQVXHF-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)s1 ZINC001139814224 961693489 /nfs/dbraw/zinc/69/34/89/961693489.db2.gz ZSLVEVYHNQVXHF-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO CC(=O)CCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001142745774 961697625 /nfs/dbraw/zinc/69/76/25/961697625.db2.gz ZHJSNRZDFGHFGU-UHFFFAOYSA-N 1 2 232.283 1.300 20 0 BDADLO CCOCC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001142831325 961800278 /nfs/dbraw/zinc/80/02/78/961800278.db2.gz AFJQEIBYJFVSGT-UHFFFAOYSA-N 1 2 237.303 1.261 20 0 BDADLO C[NH+]1CC(NC(=O)CCCc2ccccc2)C1 ZINC001142881431 961812261 /nfs/dbraw/zinc/81/22/61/961812261.db2.gz BVBVPEUSMDKMFM-UHFFFAOYSA-N 1 2 232.327 1.440 20 0 BDADLO CC1(F)CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143022038 961867205 /nfs/dbraw/zinc/86/72/05/961867205.db2.gz KMZJUJVMGMWIET-UHFFFAOYSA-N 1 2 219.263 1.878 20 0 BDADLO O[C@@H]1CCN(Cc2ccc3[nH+]ccn3c2)C[C@@H]1F ZINC001143021566 961867321 /nfs/dbraw/zinc/86/73/21/961867321.db2.gz AYSPLFJIGFURFX-NWDGAFQWSA-N 1 2 249.289 1.239 20 0 BDADLO O=C1CCC[N@H+](Cc2ccc3nccn3c2)CC1 ZINC001143022555 961868348 /nfs/dbraw/zinc/86/83/48/961868348.db2.gz RRZBFFCISMDPCW-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCC[N@@H+](Cc2ccc3nccn3c2)CC1 ZINC001143022555 961868355 /nfs/dbraw/zinc/86/83/55/961868355.db2.gz RRZBFFCISMDPCW-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCCN(Cc2ccc3[nH+]ccn3c2)CC1 ZINC001143022555 961868361 /nfs/dbraw/zinc/86/83/61/961868361.db2.gz RRZBFFCISMDPCW-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO COc1cc(C)cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001143156246 961893120 /nfs/dbraw/zinc/89/31/20/961893120.db2.gz HXWNKAQZPBHIIM-OKILXGFUSA-N 1 2 233.311 1.977 20 0 BDADLO COc1cc(C)cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001143156246 961893121 /nfs/dbraw/zinc/89/31/21/961893121.db2.gz HXWNKAQZPBHIIM-OKILXGFUSA-N 1 2 233.311 1.977 20 0 BDADLO c1c2cccnc2[nH]c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001143226391 961966073 /nfs/dbraw/zinc/96/60/73/961966073.db2.gz CSKPLUOKHVWJNG-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO c1c2cccnc2[nH]c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001143226391 961966084 /nfs/dbraw/zinc/96/60/84/961966084.db2.gz CSKPLUOKHVWJNG-CHWSQXEVSA-N 1 2 243.310 1.926 20 0 BDADLO COC(C)(C)C(=O)NCCOc1cc[nH+]cc1 ZINC001143331184 962036762 /nfs/dbraw/zinc/03/67/62/962036762.db2.gz SJJMTBIVXOHBEX-UHFFFAOYSA-N 1 2 238.287 1.002 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001203198571 962162402 /nfs/dbraw/zinc/16/24/02/962162402.db2.gz MDOSWFRBLMOCSG-ZJUUUORDSA-N 1 2 206.293 1.427 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001203198571 962162411 /nfs/dbraw/zinc/16/24/11/962162411.db2.gz MDOSWFRBLMOCSG-ZJUUUORDSA-N 1 2 206.293 1.427 20 0 BDADLO CC[C@@H](F)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150708323 962200566 /nfs/dbraw/zinc/20/05/66/962200566.db2.gz HZXMCYJICOMUCI-SNVBAGLBSA-N 1 2 237.278 1.297 20 0 BDADLO C[C@H]1C[NH+](Cc2ccc(O)cn2)C[C@H](C)O1 ZINC000132465523 962436437 /nfs/dbraw/zinc/43/64/37/962436437.db2.gz GPOBTVJHJPLADR-UWVGGRQHSA-N 1 2 222.288 1.396 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1cn[nH]c1 ZINC000711738993 962758481 /nfs/dbraw/zinc/75/84/81/962758481.db2.gz ORPIHDKKKZCPOF-VIFPVBQESA-N 1 2 231.303 1.792 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC001269716724 962771671 /nfs/dbraw/zinc/77/16/71/962771671.db2.gz CWYNTAODIWMYOR-TXEJJXNPSA-N 1 2 234.274 1.354 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC001269716724 962771682 /nfs/dbraw/zinc/77/16/82/962771682.db2.gz CWYNTAODIWMYOR-TXEJJXNPSA-N 1 2 234.274 1.354 20 0 BDADLO O=C(Nc1c[nH]cn1)c1cccc2[nH+]ccn21 ZINC001154518318 962788882 /nfs/dbraw/zinc/78/88/82/962788882.db2.gz XHXGREOVIJLSFE-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CSc1c[nH+]c(NCCn2ccnn2)c(C)c1 ZINC001154621989 962814795 /nfs/dbraw/zinc/81/47/95/962814795.db2.gz BKCRKSNUAYVTRV-UHFFFAOYSA-N 1 2 249.343 1.816 20 0 BDADLO Nc1[nH+]c(NCC2COC2)ccc1Cl ZINC001154637934 962825464 /nfs/dbraw/zinc/82/54/64/962825464.db2.gz KFODDUZNHXIFTG-UHFFFAOYSA-N 1 2 213.668 1.376 20 0 BDADLO Cc1cc(NCc2ncon2)nc(C2CC2)[nH+]1 ZINC001154895646 962887702 /nfs/dbraw/zinc/88/77/02/962887702.db2.gz KRMUGKJSBVAVAY-UHFFFAOYSA-N 1 2 231.259 1.658 20 0 BDADLO Cn1cncc1C[N@H+](C)C1CC(F)(F)C1 ZINC001204383320 962896604 /nfs/dbraw/zinc/89/66/04/962896604.db2.gz GBIUBBQELBGEQF-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO Cn1cncc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001204383320 962896610 /nfs/dbraw/zinc/89/66/10/962896610.db2.gz GBIUBBQELBGEQF-UHFFFAOYSA-N 1 2 215.247 1.650 20 0 BDADLO COc1ccc(NC(=[NH2+])C(C)(C)C)nn1 ZINC001155175699 963002826 /nfs/dbraw/zinc/00/28/26/963002826.db2.gz HNYLCOVAHMFHRI-UHFFFAOYSA-N 1 2 208.265 1.920 20 0 BDADLO CN(C)c1nccnc1NC(=[NH2+])C(C)(C)C ZINC001155181084 963003412 /nfs/dbraw/zinc/00/34/12/963003412.db2.gz GVAMBKQWQKORSR-UHFFFAOYSA-N 1 2 221.308 1.978 20 0 BDADLO c1cn(CCCNc2nccc3n[nH]nc32)c[nH+]1 ZINC001161681333 963185048 /nfs/dbraw/zinc/18/50/48/963185048.db2.gz RQJKSDLPPVANBT-UHFFFAOYSA-N 1 2 243.274 1.052 20 0 BDADLO Cc1nc(N[C@H]2CC[C@H](O)CC2)cc[nH+]1 ZINC000245547019 963218194 /nfs/dbraw/zinc/21/81/94/963218194.db2.gz NFVVKXIDCNMYHJ-MGCOHNPYSA-N 1 2 207.277 1.500 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](F)c1ccccc1 ZINC001270948554 963307349 /nfs/dbraw/zinc/30/73/49/963307349.db2.gz RZRRQCBMSPKXHB-FRRDWIJNSA-N 1 2 248.301 1.612 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](F)c1ccccc1 ZINC001270948554 963307364 /nfs/dbraw/zinc/30/73/64/963307364.db2.gz RZRRQCBMSPKXHB-FRRDWIJNSA-N 1 2 248.301 1.612 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CCCCO2)c[nH+]1 ZINC001156537911 963378319 /nfs/dbraw/zinc/37/83/19/963378319.db2.gz COZKGVKAIRNKGA-JTQLQIEISA-N 1 2 237.303 1.157 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CCCCO2)[nH+]1 ZINC001156537911 963378325 /nfs/dbraw/zinc/37/83/25/963378325.db2.gz COZKGVKAIRNKGA-JTQLQIEISA-N 1 2 237.303 1.157 20 0 BDADLO Cc1cc2cc(C(=O)NC3C[NH+](C)C3)ccc2[nH]1 ZINC001156542605 963381713 /nfs/dbraw/zinc/38/17/13/963381713.db2.gz CFZJGEGZDMRIDU-UHFFFAOYSA-N 1 2 243.310 1.520 20 0 BDADLO Nc1cc(CNc2ncc(Cl)cc2N)cc[nH+]1 ZINC001156761334 963455537 /nfs/dbraw/zinc/45/55/37/963455537.db2.gz SCMYRKMOMIBYJW-UHFFFAOYSA-N 1 2 249.705 1.907 20 0 BDADLO Nc1cc(CNc2cnc3cc[nH]c3n2)cc[nH+]1 ZINC001156755999 963455552 /nfs/dbraw/zinc/45/55/52/963455552.db2.gz NCQLEMDWHUWFOC-UHFFFAOYSA-N 1 2 240.270 1.547 20 0 BDADLO CCOc1ccnc(NCc2cc[nH+]c(N)c2)n1 ZINC001156757293 963455747 /nfs/dbraw/zinc/45/57/47/963455747.db2.gz QNKITPZQJAZJIN-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO CC(C)(F)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156892107 963483333 /nfs/dbraw/zinc/48/33/33/963483333.db2.gz YPTRLMBZEDCKSZ-UHFFFAOYSA-N 1 2 239.294 1.653 20 0 BDADLO CN(C)c1cc(NC(C)(C)CCO)[nH+]cn1 ZINC001156905334 963493135 /nfs/dbraw/zinc/49/31/35/963493135.db2.gz IQKTYOQQNZCERJ-UHFFFAOYSA-N 1 2 224.308 1.116 20 0 BDADLO CN(C)c1cc(NC(C)(C)CCO)nc[nH+]1 ZINC001156905334 963493138 /nfs/dbraw/zinc/49/31/38/963493138.db2.gz IQKTYOQQNZCERJ-UHFFFAOYSA-N 1 2 224.308 1.116 20 0 BDADLO Nc1[nH]c2cc(C(=O)NCC(F)F)ccc2[nH+]1 ZINC001156964126 963502475 /nfs/dbraw/zinc/50/24/75/963502475.db2.gz JYPICIVMJTYAPR-UHFFFAOYSA-N 1 2 240.213 1.140 20 0 BDADLO Nc1[nH]c2cc(C(=O)N3C[C@@H]4C[C@@H]4C3)ccc2[nH+]1 ZINC001156971226 963503567 /nfs/dbraw/zinc/50/35/67/963503567.db2.gz FGRBQBYZSNCFDU-DTORHVGOSA-N 1 2 242.282 1.237 20 0 BDADLO CNc1ncccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052709833 963514399 /nfs/dbraw/zinc/51/43/99/963514399.db2.gz DMCUIQHZTBVRDS-PHIMTYICSA-N 1 2 235.331 1.733 20 0 BDADLO CNc1ncccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052709833 963514414 /nfs/dbraw/zinc/51/44/14/963514414.db2.gz DMCUIQHZTBVRDS-PHIMTYICSA-N 1 2 235.331 1.733 20 0 BDADLO COC(=O)C=Cc1cc2cc[nH]c2c(NC=[NH2+])n1 ZINC001157079335 963526332 /nfs/dbraw/zinc/52/63/32/963526332.db2.gz YJBUWBNBTYPFOL-NSCUHMNNSA-N 1 2 244.254 1.768 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2CC2(F)F)[nH+]1 ZINC001157125613 963534770 /nfs/dbraw/zinc/53/47/70/963534770.db2.gz WYCHNPCEAZGBJE-QMMMGPOBSA-N 1 2 243.257 1.805 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2CC2(F)F)c[nH+]1 ZINC001157125613 963534774 /nfs/dbraw/zinc/53/47/74/963534774.db2.gz WYCHNPCEAZGBJE-QMMMGPOBSA-N 1 2 243.257 1.805 20 0 BDADLO CCC1(Nc2cc(N(C)C)nc[nH+]2)COC1 ZINC001157533031 963646461 /nfs/dbraw/zinc/64/64/61/963646461.db2.gz PAHQAVSWYBHTIG-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO CCC1(Nc2cc(N(C)C)[nH+]cn2)COC1 ZINC001157533031 963646480 /nfs/dbraw/zinc/64/64/80/963646480.db2.gz PAHQAVSWYBHTIG-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc2ccccn2n1 ZINC001157543399 963655526 /nfs/dbraw/zinc/65/55/26/963655526.db2.gz SBKVTAIIEJNPNX-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO Cc1cn2c(cccc2NC2=CCOC2)[nH+]1 ZINC001203380113 963752087 /nfs/dbraw/zinc/75/20/87/963752087.db2.gz PMHBWKANLLMUET-UHFFFAOYSA-N 1 2 215.256 1.969 20 0 BDADLO C[C@@]1(F)CCCCN(C(=O)C2(F)C[NH2+]C2)C1 ZINC001157905865 963759942 /nfs/dbraw/zinc/75/99/42/963759942.db2.gz XIIVNSOGVKBELG-SNVBAGLBSA-N 1 2 232.274 1.039 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCO[C@@H](C)C2)no1 ZINC001168114688 963762581 /nfs/dbraw/zinc/76/25/81/963762581.db2.gz JIDIIEIEQQMENT-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCO[C@@H](C)C2)no1 ZINC001168114688 963762592 /nfs/dbraw/zinc/76/25/92/963762592.db2.gz JIDIIEIEQQMENT-WCBMZHEXSA-N 1 2 225.292 1.377 20 0 BDADLO Nc1cc(Cl)[nH+]c(NCC2OCCO2)c1 ZINC001158199011 963829193 /nfs/dbraw/zinc/82/91/93/963829193.db2.gz XPUPACBMNLNWSP-UHFFFAOYSA-N 1 2 229.667 1.102 20 0 BDADLO CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471622 963879163 /nfs/dbraw/zinc/87/91/63/963879163.db2.gz MJPFDRBKHMCUGD-LURJTMIESA-N 1 2 230.205 1.003 20 0 BDADLO CC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158471622 963879170 /nfs/dbraw/zinc/87/91/70/963879170.db2.gz MJPFDRBKHMCUGD-LURJTMIESA-N 1 2 230.205 1.003 20 0 BDADLO Nc1[nH+]c(N[C@H]2CCCOC2)ccc1Cl ZINC001158719426 963909241 /nfs/dbraw/zinc/90/92/41/963909241.db2.gz ASXFHYNWRWHGCG-ZETCQYMHSA-N 1 2 227.695 1.908 20 0 BDADLO Cc1ccc2cc(NC3(CO)COC3)[nH+]cc2c1 ZINC001168172936 963909439 /nfs/dbraw/zinc/90/94/39/963909439.db2.gz BEYMGDDRGCUWGY-UHFFFAOYSA-N 1 2 244.294 1.716 20 0 BDADLO C=CC(=O)NCCNc1[nH+]cc(C)cc1OC ZINC001158834562 963939352 /nfs/dbraw/zinc/93/93/52/963939352.db2.gz ALZWPUVFPNECIX-UHFFFAOYSA-N 1 2 235.287 1.113 20 0 BDADLO CN(C)c1cc(N(C)CC(F)F)nc[nH+]1 ZINC001158925402 963958237 /nfs/dbraw/zinc/95/82/37/963958237.db2.gz KZNVTOQUMSCXJX-UHFFFAOYSA-N 1 2 216.235 1.244 20 0 BDADLO CN(C)c1cc(N(C)CC(F)F)[nH+]cn1 ZINC001158925402 963958243 /nfs/dbraw/zinc/95/82/43/963958243.db2.gz KZNVTOQUMSCXJX-UHFFFAOYSA-N 1 2 216.235 1.244 20 0 BDADLO COC(=O)C[C@H](C)Nc1ccc(Cl)c(N)[nH+]1 ZINC001160531918 964328075 /nfs/dbraw/zinc/32/80/75/964328075.db2.gz HMKFVVZFUVPDFK-LURJTMIESA-N 1 2 243.694 1.681 20 0 BDADLO C[NH+]1CC(NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001142546258 964376797 /nfs/dbraw/zinc/37/67/97/964376797.db2.gz NVIIMSWEOMAZTG-GFCCVEGCSA-N 1 2 208.305 1.163 20 0 BDADLO Nc1cc(F)ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000138402845 964388464 /nfs/dbraw/zinc/38/84/64/964388464.db2.gz KVRXQGMLNBNPCJ-UHFFFAOYSA-N 1 2 248.261 1.104 20 0 BDADLO Cc1ncnc(Cl)c1NC1C[NH+](C(C)C)C1 ZINC001168315860 964424933 /nfs/dbraw/zinc/42/49/33/964424933.db2.gz ZVONJBNAGPKJPR-UHFFFAOYSA-N 1 2 240.738 1.943 20 0 BDADLO OCCn1cc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213028372 964489128 /nfs/dbraw/zinc/48/91/28/964489128.db2.gz NCQNVOBXUAZHQE-UHFFFAOYSA-N 1 2 243.270 1.495 20 0 BDADLO Cn1nncc1Nc1cccc2[nH+]c[nH]c21 ZINC001213029422 964515207 /nfs/dbraw/zinc/51/52/07/964515207.db2.gz LRVQEFSVHUKDJO-UHFFFAOYSA-N 1 2 214.232 1.435 20 0 BDADLO Cc1cnnc(NC2CN(c3cccc[nH+]3)C2)c1 ZINC001161318971 964569908 /nfs/dbraw/zinc/56/99/08/964569908.db2.gz DFXPCEBLOUIGJS-UHFFFAOYSA-N 1 2 241.298 1.481 20 0 BDADLO O=C(CC1(O)CCC1)Nc1cccc2[nH+]ccn21 ZINC001142614074 964679948 /nfs/dbraw/zinc/67/99/48/964679948.db2.gz JHAQHQCPNIJNSJ-UHFFFAOYSA-N 1 2 245.282 1.578 20 0 BDADLO c1cn(CCCNc2c[nH]cc3ncnc2-3)c[nH+]1 ZINC001161684463 964682560 /nfs/dbraw/zinc/68/25/60/964682560.db2.gz BWEMTJRTOMEGSK-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO Cc1cc[n+]([O-])c(NCCCn2cc[nH+]c2)c1 ZINC001161682348 964684881 /nfs/dbraw/zinc/68/48/81/964684881.db2.gz QCIQNJGRSMCATO-UHFFFAOYSA-N 1 2 232.287 1.327 20 0 BDADLO COc1c[nH+]c(NCc2nnc(C)o2)c(C)c1 ZINC001161711030 964701037 /nfs/dbraw/zinc/70/10/37/964701037.db2.gz NNMOZMMEKIAALG-UHFFFAOYSA-N 1 2 234.259 1.702 20 0 BDADLO c1cc2c([nH+]c1NC1CCOCC1)CCOC2 ZINC001161861488 964797160 /nfs/dbraw/zinc/79/71/60/964797160.db2.gz FBUKDWLMGYFBLB-UHFFFAOYSA-N 1 2 234.299 1.745 20 0 BDADLO Cc1cc(NCC(=O)NC2CC2)ccc1[NH+](C)C ZINC001161897532 964812176 /nfs/dbraw/zinc/81/21/76/964812176.db2.gz NCAQXFWQXQEHJH-UHFFFAOYSA-N 1 2 247.342 1.752 20 0 BDADLO Cc1cc(NCCn2ccnn2)c[nH+]c1C ZINC001161925827 964820679 /nfs/dbraw/zinc/82/06/79/964820679.db2.gz AKHSCRBLERYOQR-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO CCOC(=O)[C@H]([NH3+])CNc1ccc(C)c(C)n1 ZINC001161949845 964832668 /nfs/dbraw/zinc/83/26/68/964832668.db2.gz CCNSMYMOFIAINK-SNVBAGLBSA-N 1 2 237.303 1.001 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142672986 964882107 /nfs/dbraw/zinc/88/21/07/964882107.db2.gz UQGURQFBBGSBSI-CMPLNLGQSA-N 1 2 249.289 1.732 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142672986 964882117 /nfs/dbraw/zinc/88/21/17/964882117.db2.gz UQGURQFBBGSBSI-CMPLNLGQSA-N 1 2 249.289 1.732 20 0 BDADLO c1nc(C[N@@H+]2CCC[C@@]3(CCO3)C2)cs1 ZINC001137596959 964899825 /nfs/dbraw/zinc/89/98/25/964899825.db2.gz JQXPCUVKNRLKQS-LLVKDONJSA-N 1 2 224.329 1.898 20 0 BDADLO c1nc(C[N@H+]2CCC[C@@]3(CCO3)C2)cs1 ZINC001137596959 964899829 /nfs/dbraw/zinc/89/98/29/964899829.db2.gz JQXPCUVKNRLKQS-LLVKDONJSA-N 1 2 224.329 1.898 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061919327 965113331 /nfs/dbraw/zinc/11/33/31/965113331.db2.gz AADDCRMUHGAHRM-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061919327 965113346 /nfs/dbraw/zinc/11/33/46/965113346.db2.gz AADDCRMUHGAHRM-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO Cc1cc[nH+]cc1NCCC(=O)N(C)C1CC1 ZINC001162628131 965077703 /nfs/dbraw/zinc/07/77/03/965077703.db2.gz VYIYBTGPNVQTOZ-UHFFFAOYSA-N 1 2 233.315 1.813 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1[nH]ccc2nnnc1-2 ZINC001162655035 965087722 /nfs/dbraw/zinc/08/77/22/965087722.db2.gz HDZPEKNWUWRACL-UHFFFAOYSA-N 1 2 218.264 1.788 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168400514 965201671 /nfs/dbraw/zinc/20/16/71/965201671.db2.gz NWCDPYVQJYNPOP-OLZOCXBDSA-N 1 2 249.285 1.588 20 0 BDADLO CC[C@@H](CO)Nc1[nH+]cc(C)cc1OC ZINC001163044945 965225227 /nfs/dbraw/zinc/22/52/27/965225227.db2.gz KSWSABDDYOSFBG-VIFPVBQESA-N 1 2 210.277 1.581 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CNC(=O)C1(C)C ZINC001163009196 965227471 /nfs/dbraw/zinc/22/74/71/965227471.db2.gz SMUWGFQLKIPBDB-SECBINFHSA-N 1 2 235.287 1.027 20 0 BDADLO c1cn2cc(CNc3ccncn3)ccc2[nH+]1 ZINC001163135809 965263301 /nfs/dbraw/zinc/26/33/01/965263301.db2.gz MBOCSCUFFMKQAY-UHFFFAOYSA-N 1 2 225.255 1.736 20 0 BDADLO CCOc1ccc(C[N@H+](C2CC2)C2COC2)cn1 ZINC001231657630 965274378 /nfs/dbraw/zinc/27/43/78/965274378.db2.gz PDFYWEYKYLZYQY-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1ccc(C[N@@H+](C2CC2)C2COC2)cn1 ZINC001231657630 965274388 /nfs/dbraw/zinc/27/43/88/965274388.db2.gz PDFYWEYKYLZYQY-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3cc[nH]c3cn2)CCO1 ZINC001231664143 965278373 /nfs/dbraw/zinc/27/83/73/965278373.db2.gz UGJPMQAJXIFYAI-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3cc[nH]c3cn2)CCO1 ZINC001231664143 965278398 /nfs/dbraw/zinc/27/83/98/965278398.db2.gz UGJPMQAJXIFYAI-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CCc1csc(C[N@H+](C)CCOC)n1 ZINC001232468458 965359573 /nfs/dbraw/zinc/35/95/73/965359573.db2.gz AATZHCMGRXQKON-UHFFFAOYSA-N 1 2 214.334 1.784 20 0 BDADLO CCc1csc(C[N@@H+](C)CCOC)n1 ZINC001232468458 965359581 /nfs/dbraw/zinc/35/95/81/965359581.db2.gz AATZHCMGRXQKON-UHFFFAOYSA-N 1 2 214.334 1.784 20 0 BDADLO CC1(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)CC1 ZINC001483653088 965381092 /nfs/dbraw/zinc/38/10/92/965381092.db2.gz NWCWABOQIPDGLO-LFKJVQOCSA-N 1 2 242.750 1.730 20 0 BDADLO CC1(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)CC1 ZINC001483653088 965381112 /nfs/dbraw/zinc/38/11/12/965381112.db2.gz NWCWABOQIPDGLO-LFKJVQOCSA-N 1 2 242.750 1.730 20 0 BDADLO CCOC(=O)CC(N)=[NH+]c1cnccc1OC ZINC001163446570 965403748 /nfs/dbraw/zinc/40/37/48/965403748.db2.gz HRQLEXNWNQVKFN-UHFFFAOYSA-N 1 2 237.259 1.433 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2cc(C)c(C)cn2)[nH]n1 ZINC001163512441 965420554 /nfs/dbraw/zinc/42/05/54/965420554.db2.gz VDHUTSZESGSGDZ-UHFFFAOYSA-N 1 2 244.302 1.762 20 0 BDADLO Cc1cc(O)cc(C[NH+]2CCOCC2)c1 ZINC001232880514 965426929 /nfs/dbraw/zinc/42/69/29/965426929.db2.gz OVTCIXJITJUCMT-UHFFFAOYSA-N 1 2 207.273 1.533 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968439 965443301 /nfs/dbraw/zinc/44/33/01/965443301.db2.gz BAVSXQNMZUORPL-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968439 965443307 /nfs/dbraw/zinc/44/33/07/965443307.db2.gz BAVSXQNMZUORPL-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1F ZINC001233049631 965461194 /nfs/dbraw/zinc/46/11/94/965461194.db2.gz FYKPYSRKNBMEFD-GXSJLCMTSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1F ZINC001233049631 965461199 /nfs/dbraw/zinc/46/11/99/965461199.db2.gz FYKPYSRKNBMEFD-GXSJLCMTSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1F ZINC001233049635 965461442 /nfs/dbraw/zinc/46/14/42/965461442.db2.gz FYKPYSRKNBMEFD-MWLCHTKSSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1F ZINC001233049635 965461454 /nfs/dbraw/zinc/46/14/54/965461454.db2.gz FYKPYSRKNBMEFD-MWLCHTKSSA-N 1 2 243.253 1.436 20 0 BDADLO COCC1CN(c2[nH+]ccc(F)c2C)C1 ZINC001163732458 965542420 /nfs/dbraw/zinc/54/24/20/965542420.db2.gz AZKSSPNAWGMXIV-UHFFFAOYSA-N 1 2 210.252 1.612 20 0 BDADLO CN(c1cc(N)nc[nH+]1)C1CC(F)(F)C1 ZINC001163768452 965573951 /nfs/dbraw/zinc/57/39/51/965573951.db2.gz SMALSSYHVSOOKR-UHFFFAOYSA-N 1 2 214.219 1.293 20 0 BDADLO CCCCN1CC2(C[NH+](CCC)C2)OCC1=O ZINC001272454718 965613146 /nfs/dbraw/zinc/61/31/46/965613146.db2.gz TVIUTLUVWULBNH-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO Cc1[nH+]ccn1CCNc1cccn2cc[nH+]c12 ZINC001163919637 965630983 /nfs/dbraw/zinc/63/09/83/965630983.db2.gz AHSKNLGJQSDQIQ-UHFFFAOYSA-N 1 2 241.298 1.951 20 0 BDADLO Cc1nonc1CNc1ccc2c([nH+]1)CCOC2 ZINC001164053956 965717806 /nfs/dbraw/zinc/71/78/06/965717806.db2.gz BIXYBAMQRLWPLE-UHFFFAOYSA-N 1 2 246.270 1.458 20 0 BDADLO CC1CC(N(C)c2cc(N(C)C)[nH+]cn2)C1 ZINC001164193740 965784804 /nfs/dbraw/zinc/78/48/04/965784804.db2.gz HYXOHZXXYXESPY-UHFFFAOYSA-N 1 2 220.320 1.777 20 0 BDADLO CC1CC(N(C)c2cc(N(C)C)nc[nH+]2)C1 ZINC001164193740 965784810 /nfs/dbraw/zinc/78/48/10/965784810.db2.gz HYXOHZXXYXESPY-UHFFFAOYSA-N 1 2 220.320 1.777 20 0 BDADLO Cc1cc(N2CCCNC(=O)C2)nc(C(C)C)[nH+]1 ZINC001164284419 965827978 /nfs/dbraw/zinc/82/79/78/965827978.db2.gz XSRIEXADOBIWOD-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO C[C@H]1CC[C@@H](CO)N1c1ccc(N)c[nH+]1 ZINC001164304987 965838612 /nfs/dbraw/zinc/83/86/12/965838612.db2.gz UIMJDZZPEQBMJN-WPRPVWTQSA-N 1 2 207.277 1.013 20 0 BDADLO Cc1cc(NCCCc2c[nH][nH]c2=O)c[nH+]c1C ZINC001164376207 965868049 /nfs/dbraw/zinc/86/80/49/965868049.db2.gz ZBNUBIRGYCQCPY-NSHDSACASA-N 1 2 246.314 1.622 20 0 BDADLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(N)c1 ZINC001164498326 965896535 /nfs/dbraw/zinc/89/65/35/965896535.db2.gz RWTKFFHHHAGQRW-UHFFFAOYSA-N 1 2 242.273 1.017 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)OCC ZINC000699574203 965995692 /nfs/dbraw/zinc/99/56/92/965995692.db2.gz NGJLNPZHEGVYON-GARJFASQSA-N 1 2 229.320 1.343 20 0 BDADLO Nc1cc(N2C[C@H]3[C@H](CC3(F)F)C2)[nH+]cn1 ZINC001165294972 966033540 /nfs/dbraw/zinc/03/35/40/966033540.db2.gz FKAQQTBBVPKGQY-RQJHMYQMSA-N 1 2 226.230 1.150 20 0 BDADLO CC(=O)CCC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001142754116 966078556 /nfs/dbraw/zinc/07/85/56/966078556.db2.gz NAEDEEFBQCORJF-UHFFFAOYSA-N 1 2 249.314 1.594 20 0 BDADLO C[C@@H](Cc1cccc(F)c1)[NH+]1CCN(C#N)CC1 ZINC001168501355 966101854 /nfs/dbraw/zinc/10/18/54/966101854.db2.gz NRTQOABEIXCEMG-LBPRGKRZSA-N 1 2 247.317 1.855 20 0 BDADLO C[C@H](CCO)Nc1ccc(N(C)C)c[nH+]1 ZINC001165938158 966207682 /nfs/dbraw/zinc/20/76/82/966207682.db2.gz MHYQEMRGQXWHIX-SECBINFHSA-N 1 2 209.293 1.330 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@H](CO)C1 ZINC001166549931 966296433 /nfs/dbraw/zinc/29/64/33/966296433.db2.gz OEYHHEXGRFJQCA-VIFPVBQESA-N 1 2 210.252 1.348 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001124009572 966350040 /nfs/dbraw/zinc/35/00/40/966350040.db2.gz CNDLVXBPPJGRBD-MNOVXSKESA-N 1 2 235.331 1.515 20 0 BDADLO Cn1c[nH+]c2ccc(N[C@@H]3CCN(C)C3=O)cc21 ZINC001166666268 966358193 /nfs/dbraw/zinc/35/81/93/966358193.db2.gz NVAGXASHWSRUGC-LLVKDONJSA-N 1 2 244.298 1.216 20 0 BDADLO CC(C)CNC(=S)NCCn1cc[nH+]c1 ZINC000135773213 966370372 /nfs/dbraw/zinc/37/03/72/966370372.db2.gz PROUGQKKQVMKMS-UHFFFAOYSA-N 1 2 226.349 1.003 20 0 BDADLO CCc1nc(N2CCC(=O)C[C@@H]2C)cc[nH+]1 ZINC001166935003 966452703 /nfs/dbraw/zinc/45/27/03/966452703.db2.gz VKMPOPJCWMQFGE-VIFPVBQESA-N 1 2 219.288 1.597 20 0 BDADLO COc1cc(C)c[nH+]c1N(C)C1(C)COC1 ZINC001166985836 966506912 /nfs/dbraw/zinc/50/69/12/966506912.db2.gz LMOUDKTUDTVZRT-UHFFFAOYSA-N 1 2 222.288 1.624 20 0 BDADLO COCC[C@H]1CCCC[N@@H+]1Cc1cnn[nH]1 ZINC001203205774 966545167 /nfs/dbraw/zinc/54/51/67/966545167.db2.gz KFMFXTYKPHFANF-LLVKDONJSA-N 1 2 224.308 1.196 20 0 BDADLO COCC[C@H]1CCCC[N@H+]1Cc1cnn[nH]1 ZINC001203205774 966545175 /nfs/dbraw/zinc/54/51/75/966545175.db2.gz KFMFXTYKPHFANF-LLVKDONJSA-N 1 2 224.308 1.196 20 0 BDADLO COCC[C@H]1CCCC[N@@H+]1Cc1cn[nH]n1 ZINC001203205774 966545181 /nfs/dbraw/zinc/54/51/81/966545181.db2.gz KFMFXTYKPHFANF-LLVKDONJSA-N 1 2 224.308 1.196 20 0 BDADLO COCC[C@H]1CCCC[N@H+]1Cc1cn[nH]n1 ZINC001203205774 966545201 /nfs/dbraw/zinc/54/52/01/966545201.db2.gz KFMFXTYKPHFANF-LLVKDONJSA-N 1 2 224.308 1.196 20 0 BDADLO F[C@H]1CCC2(C1)CC[NH+](Cc1cnn[nH]1)CC2 ZINC001203207175 966550367 /nfs/dbraw/zinc/55/03/67/966550367.db2.gz JOUNWJFNTOFFOV-JTQLQIEISA-N 1 2 238.310 1.909 20 0 BDADLO Cc1ccc(Nc2scnc2C(N)=O)c(C)[nH+]1 ZINC001203369625 966617114 /nfs/dbraw/zinc/61/71/14/966617114.db2.gz BCORNXGDILXQOE-UHFFFAOYSA-N 1 2 248.311 1.997 20 0 BDADLO CNc1ccc(Nc2ccnn2C2COC2)c[nH+]1 ZINC001203449790 966655347 /nfs/dbraw/zinc/65/53/47/966655347.db2.gz LLCMVMCDROACQA-UHFFFAOYSA-N 1 2 245.286 1.635 20 0 BDADLO CNc1ccc(Nc2cncc(CO)c2)c[nH+]1 ZINC001203452189 966655597 /nfs/dbraw/zinc/65/55/97/966655597.db2.gz HTFGLXBKKIKOQH-UHFFFAOYSA-N 1 2 230.271 1.754 20 0 BDADLO CNc1ccc(Nc2ccnn2CCOC)c[nH+]1 ZINC001203452226 966656989 /nfs/dbraw/zinc/65/69/89/966656989.db2.gz KGVGFEKZOSDJIA-UHFFFAOYSA-N 1 2 247.302 1.710 20 0 BDADLO CNc1ccc(Nc2cc3n(n2)CCCO3)c[nH+]1 ZINC001203452575 966658150 /nfs/dbraw/zinc/65/81/50/966658150.db2.gz PEOPIHVCRZWVCI-UHFFFAOYSA-N 1 2 245.286 1.846 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2cncc(C(N)=O)c2)c1 ZINC001203656586 966721764 /nfs/dbraw/zinc/72/17/64/966721764.db2.gz WATQCWMTMCNNQP-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO CCCOC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC001203979370 966837369 /nfs/dbraw/zinc/83/73/69/966837369.db2.gz NUKNHEFSFCEEOI-UHFFFAOYSA-N 1 2 223.320 1.801 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccncc3)[C@@H]2C1 ZINC001204080655 966886534 /nfs/dbraw/zinc/88/65/34/966886534.db2.gz SYKCMDCJERHYIF-BFHYXJOUSA-N 1 2 248.326 1.053 20 0 BDADLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccncc3)[C@@H]2C1 ZINC001204080655 966886537 /nfs/dbraw/zinc/88/65/37/966886537.db2.gz SYKCMDCJERHYIF-BFHYXJOUSA-N 1 2 248.326 1.053 20 0 BDADLO c1cc(Nc2ccc[nH+]c2N2CCOCC2)on1 ZINC001212352125 966889784 /nfs/dbraw/zinc/88/97/84/966889784.db2.gz JVPFRUCIHQNCNY-UHFFFAOYSA-N 1 2 246.270 1.650 20 0 BDADLO Cc1ccc2cc(C[NH2+]Cc3nnc[nH]3)[nH]c2c1 ZINC001204137201 966896896 /nfs/dbraw/zinc/89/68/96/966896896.db2.gz SARSCJMLLZPFLK-UHFFFAOYSA-N 1 2 241.298 1.884 20 0 BDADLO O[C@@H]1C[N@H+](Cc2c(F)cccc2F)CC[C@H]1F ZINC001204202415 966922338 /nfs/dbraw/zinc/92/23/38/966922338.db2.gz BPRROUBGAPUSHP-VXGBXAGGSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@H]1F ZINC001204202415 966922346 /nfs/dbraw/zinc/92/23/46/966922346.db2.gz BPRROUBGAPUSHP-VXGBXAGGSA-N 1 2 245.244 1.870 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccoc2)C[C@@H]1C ZINC001204243638 966925894 /nfs/dbraw/zinc/92/58/94/966925894.db2.gz BZHFBMPCDFKGDO-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccoc2)C[C@@H]1C ZINC001204243638 966925899 /nfs/dbraw/zinc/92/58/99/966925899.db2.gz BZHFBMPCDFKGDO-JTQLQIEISA-N 1 2 222.288 1.332 20 0 BDADLO CN(Cc1ccno1)Cc1c[nH+]cn1C ZINC001204386380 966988169 /nfs/dbraw/zinc/98/81/69/966988169.db2.gz WAELNGDGEGXWJV-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO Cc1c[nH]c(=O)cc1Nc1ccc[nH+]c1N ZINC001212393355 967016678 /nfs/dbraw/zinc/01/66/78/967016678.db2.gz CSIZQAKOIMJLQM-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cn(C)nc1C ZINC001204577577 967069088 /nfs/dbraw/zinc/06/90/88/967069088.db2.gz APBWXYJYTUEBAR-CYBMUJFWSA-N 1 2 235.331 1.672 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1C ZINC001204577577 967069098 /nfs/dbraw/zinc/06/90/98/967069098.db2.gz APBWXYJYTUEBAR-CYBMUJFWSA-N 1 2 235.331 1.672 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(F)(F)CC[C@@H]1CO ZINC001204587653 967071640 /nfs/dbraw/zinc/07/16/40/967071640.db2.gz IDEUTWNCPMIETF-SECBINFHSA-N 1 2 245.273 1.310 20 0 BDADLO COC(=O)c1cccc(C[N@H+](C)C2COC2)c1 ZINC001204665240 967120531 /nfs/dbraw/zinc/12/05/31/967120531.db2.gz DDRPMPWPUIDPIB-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO COC(=O)c1cccc(C[N@@H+](C)C2COC2)c1 ZINC001204665240 967120547 /nfs/dbraw/zinc/12/05/47/967120547.db2.gz DDRPMPWPUIDPIB-UHFFFAOYSA-N 1 2 235.283 1.304 20 0 BDADLO COCc1cc(C[N@@H+]2CCCO[C@@H](C)C2)no1 ZINC001204749623 967144270 /nfs/dbraw/zinc/14/42/70/967144270.db2.gz CURDWJJXEAQASG-JTQLQIEISA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCCO[C@@H](C)C2)no1 ZINC001204749623 967144276 /nfs/dbraw/zinc/14/42/76/967144276.db2.gz CURDWJJXEAQASG-JTQLQIEISA-N 1 2 240.303 1.432 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1NC ZINC001204789660 967171442 /nfs/dbraw/zinc/17/14/42/967171442.db2.gz DGEWATXHIWGTMX-ZDUSSCGKSA-N 1 2 247.342 1.439 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1NC ZINC001204789660 967171451 /nfs/dbraw/zinc/17/14/51/967171451.db2.gz DGEWATXHIWGTMX-ZDUSSCGKSA-N 1 2 247.342 1.439 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1scnc1Cl ZINC000721924807 967243214 /nfs/dbraw/zinc/24/32/14/967243214.db2.gz XOYJBUHRJPEAKW-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1scnc1Cl ZINC000721924807 967243226 /nfs/dbraw/zinc/24/32/26/967243226.db2.gz XOYJBUHRJPEAKW-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](O)C[N@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000691348301 967253817 /nfs/dbraw/zinc/25/38/17/967253817.db2.gz GAECEWFWLLMBAC-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H](O)C[N@@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000691348301 967253826 /nfs/dbraw/zinc/25/38/26/967253826.db2.gz GAECEWFWLLMBAC-MRVPVSSYSA-N 1 2 243.738 1.419 20 0 BDADLO COCn1cc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204966140 967264583 /nfs/dbraw/zinc/26/45/83/967264583.db2.gz NNRZRQBWAQTTLI-UHFFFAOYSA-N 1 2 243.270 1.878 20 0 BDADLO Cn1cc(C[N@@H+]2CCc3occc3C2)cn1 ZINC001205016030 967293254 /nfs/dbraw/zinc/29/32/54/967293254.db2.gz YKIZPFAZITUUJT-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cn1cc(C[N@H+]2CCc3occc3C2)cn1 ZINC001205016030 967293264 /nfs/dbraw/zinc/29/32/64/967293264.db2.gz YKIZPFAZITUUJT-UHFFFAOYSA-N 1 2 217.272 1.571 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)no1 ZINC001331741029 967336799 /nfs/dbraw/zinc/33/67/99/967336799.db2.gz GSAKFNPJEXRMLB-IUCAKERBSA-N 1 2 247.302 1.450 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001205112195 967360851 /nfs/dbraw/zinc/36/08/51/967360851.db2.gz ZBOHEWPGFYTPPE-NWDGAFQWSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001205112195 967360861 /nfs/dbraw/zinc/36/08/61/967360861.db2.gz ZBOHEWPGFYTPPE-NWDGAFQWSA-N 1 2 235.331 1.421 20 0 BDADLO COC(=O)C[NH+]1CCC(Nc2ccccc2)CC1 ZINC000112687166 967420467 /nfs/dbraw/zinc/42/04/67/967420467.db2.gz GPDJTFSZLXCQFD-UHFFFAOYSA-N 1 2 248.326 1.736 20 0 BDADLO c1nnc(Nc2ccc3c[nH+]cn3c2)o1 ZINC001250323253 967702502 /nfs/dbraw/zinc/70/25/02/967702502.db2.gz UTOBANJYEFOPCN-UHFFFAOYSA-N 1 2 201.189 1.461 20 0 BDADLO CNc1ccc(Nc2nonc2C)c[nH+]1 ZINC001203448627 967712396 /nfs/dbraw/zinc/71/23/96/967712396.db2.gz CFNVCLVLAIDUDZ-UHFFFAOYSA-N 1 2 205.221 1.558 20 0 BDADLO C[N@H+](Cc1cnoc1)C1CC(F)(F)C1 ZINC001205670616 967753623 /nfs/dbraw/zinc/75/36/23/967753623.db2.gz RNRRVNAZZAGYDW-UHFFFAOYSA-N 1 2 202.204 1.904 20 0 BDADLO C[N@@H+](Cc1cnoc1)C1CC(F)(F)C1 ZINC001205670616 967753635 /nfs/dbraw/zinc/75/36/35/967753635.db2.gz RNRRVNAZZAGYDW-UHFFFAOYSA-N 1 2 202.204 1.904 20 0 BDADLO CCN(Cc1ccncc1C)C1C[NH+](C)C1 ZINC001205868190 967866060 /nfs/dbraw/zinc/86/60/60/967866060.db2.gz ZWRUPZHCBMHDPV-UHFFFAOYSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cnccc1C[N@H+](C)Cc1ccncn1 ZINC001205872741 967868356 /nfs/dbraw/zinc/86/83/56/967868356.db2.gz HHTPEMWDDMDJRY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cnccc1C[N@@H+](C)Cc1ccncn1 ZINC001205872741 967868360 /nfs/dbraw/zinc/86/83/60/967868360.db2.gz HHTPEMWDDMDJRY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711198670 967998843 /nfs/dbraw/zinc/99/88/43/967998843.db2.gz KMFJYYBIZFGIKI-MYJAWHEDSA-N 1 2 206.293 1.473 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711198670 967998849 /nfs/dbraw/zinc/99/88/49/967998849.db2.gz KMFJYYBIZFGIKI-MYJAWHEDSA-N 1 2 206.293 1.473 20 0 BDADLO Cc1nc(N2CCN(C)C(=O)C2)cc(C(C)C)[nH+]1 ZINC001163632389 968089554 /nfs/dbraw/zinc/08/95/54/968089554.db2.gz AIILYDFJLRZXEP-UHFFFAOYSA-N 1 2 248.330 1.187 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)o1 ZINC001206243509 968164570 /nfs/dbraw/zinc/16/45/70/968164570.db2.gz DEBRDYZMYLJPFU-SECBINFHSA-N 1 2 249.236 1.449 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)o1 ZINC001206243509 968164578 /nfs/dbraw/zinc/16/45/78/968164578.db2.gz DEBRDYZMYLJPFU-SECBINFHSA-N 1 2 249.236 1.449 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccn(C)n2)C1 ZINC001206263751 968183029 /nfs/dbraw/zinc/18/30/29/968183029.db2.gz ASKPEQHLIKBIQQ-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccn(C)n2)C1 ZINC001206263751 968183039 /nfs/dbraw/zinc/18/30/39/968183039.db2.gz ASKPEQHLIKBIQQ-ONGXEEELSA-N 1 2 211.284 1.600 20 0 BDADLO COc1cccc([C@@H](O)C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001250714376 968199057 /nfs/dbraw/zinc/19/90/57/968199057.db2.gz PQBFQDXRXBRDPF-MJBXVCDLSA-N 1 2 249.310 1.202 20 0 BDADLO COc1cccc([C@@H](O)C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001250714376 968199061 /nfs/dbraw/zinc/19/90/61/968199061.db2.gz PQBFQDXRXBRDPF-MJBXVCDLSA-N 1 2 249.310 1.202 20 0 BDADLO COc1cccc([C@@H](O)C[N@H+](C)CC(C)=O)c1 ZINC001250705423 968199978 /nfs/dbraw/zinc/19/99/78/968199978.db2.gz OUXZBETYBBTOQQ-ZDUSSCGKSA-N 1 2 237.299 1.249 20 0 BDADLO COc1cccc([C@@H](O)C[N@@H+](C)CC(C)=O)c1 ZINC001250705423 968199980 /nfs/dbraw/zinc/19/99/80/968199980.db2.gz OUXZBETYBBTOQQ-ZDUSSCGKSA-N 1 2 237.299 1.249 20 0 BDADLO COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cn1 ZINC001206387266 968273993 /nfs/dbraw/zinc/27/39/93/968273993.db2.gz OTPGMZYQSXRNEL-PHIMTYICSA-N 1 2 247.298 1.181 20 0 BDADLO COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cn1 ZINC001206387266 968274002 /nfs/dbraw/zinc/27/40/02/968274002.db2.gz OTPGMZYQSXRNEL-PHIMTYICSA-N 1 2 247.298 1.181 20 0 BDADLO CCN(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001251586329 968295804 /nfs/dbraw/zinc/29/58/04/968295804.db2.gz SDQZSIBBTVYALB-VIFPVBQESA-N 1 2 207.277 1.455 20 0 BDADLO COc1cnccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001206437905 968304567 /nfs/dbraw/zinc/30/45/67/968304567.db2.gz FWGVXHGBYUPUDU-UHFFFAOYSA-N 1 2 234.299 1.047 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001251784528 968326014 /nfs/dbraw/zinc/32/60/14/968326014.db2.gz ONUWQDWJZLPEHS-SECBINFHSA-N 1 2 210.277 1.112 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001251784528 968326021 /nfs/dbraw/zinc/32/60/21/968326021.db2.gz ONUWQDWJZLPEHS-SECBINFHSA-N 1 2 210.277 1.112 20 0 BDADLO C[NH+]1CC(OCCOC(=O)c2ccccc2)C1 ZINC001206511913 968344736 /nfs/dbraw/zinc/34/47/36/968344736.db2.gz BLRNVKWELCSLSB-UHFFFAOYSA-N 1 2 235.283 1.174 20 0 BDADLO Nc1ccc(N2CCCCC23COC3)[nH+]c1 ZINC001166691665 968375610 /nfs/dbraw/zinc/37/56/10/968375610.db2.gz JZISBEWTMDBPSD-UHFFFAOYSA-N 1 2 219.288 1.423 20 0 BDADLO CCN(CC[NH2+][C@H](C)c1csnn1)C(C)=O ZINC001273230175 968422648 /nfs/dbraw/zinc/42/26/48/968422648.db2.gz VRBXYHBKMAPMRU-MRVPVSSYSA-N 1 2 242.348 1.057 20 0 BDADLO O=C(C[NH2+]Cc1cscn1)NC1CCCC1 ZINC000163959497 968436648 /nfs/dbraw/zinc/43/66/48/968436648.db2.gz XSHLGOHWICWYNL-UHFFFAOYSA-N 1 2 239.344 1.292 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252015258 968438951 /nfs/dbraw/zinc/43/89/51/968438951.db2.gz WNJOJAOQCBWEFE-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252015258 968438956 /nfs/dbraw/zinc/43/89/56/968438956.db2.gz WNJOJAOQCBWEFE-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO Oc1cc(F)c(-c2ncc3c(n2)C[NH2+]C3)cc1F ZINC001206760657 968459516 /nfs/dbraw/zinc/45/95/16/968459516.db2.gz BKXWGSQQTGYOKU-UHFFFAOYSA-N 1 2 249.220 1.731 20 0 BDADLO CCCC[C@H](O)C[NH2+]Cc1noc(C)n1 ZINC001252076402 968477776 /nfs/dbraw/zinc/47/77/76/968477776.db2.gz KNBDJKTZVWEGSN-VIFPVBQESA-N 1 2 213.281 1.019 20 0 BDADLO CCCC[C@@H](O)C[NH2+]Cc1noc(C)n1 ZINC001252076399 968478518 /nfs/dbraw/zinc/47/85/18/968478518.db2.gz KNBDJKTZVWEGSN-SECBINFHSA-N 1 2 213.281 1.019 20 0 BDADLO CCCC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001252079301 968495807 /nfs/dbraw/zinc/49/58/07/968495807.db2.gz MXFWWGIQOKYSNP-SECBINFHSA-N 1 2 249.318 1.326 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001206853658 968498910 /nfs/dbraw/zinc/49/89/10/968498910.db2.gz WEYIQTLUNPQEJG-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001206853658 968498917 /nfs/dbraw/zinc/49/89/17/968498917.db2.gz WEYIQTLUNPQEJG-CHWSQXEVSA-N 1 2 218.300 1.753 20 0 BDADLO Cc1[nH]c(CNC(=O)CCOC(C)C)[nH+]c1C ZINC000821938586 968499582 /nfs/dbraw/zinc/49/95/82/968499582.db2.gz AUFNNSSHRHBESG-UHFFFAOYSA-N 1 2 239.319 1.458 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164109514 968508395 /nfs/dbraw/zinc/50/83/95/968508395.db2.gz QBIUTAZNJVMFFI-MNOVXSKESA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccc(-c2noc([C@]3([NH3+])CCOC3)n2)cc1 ZINC000085850290 968509017 /nfs/dbraw/zinc/50/90/17/968509017.db2.gz DCLYTQFXJKHVAG-ZDUSSCGKSA-N 1 2 245.282 1.619 20 0 BDADLO Cc1cccc(-c2noc([C@]3([NH3+])CCOC3)n2)n1 ZINC000085852502 968509216 /nfs/dbraw/zinc/50/92/16/968509216.db2.gz SKSSLOYBANPLKA-LBPRGKRZSA-N 1 2 246.270 1.014 20 0 BDADLO C/C=C\[C@@H](O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000822523487 968520625 /nfs/dbraw/zinc/52/06/25/968520625.db2.gz OKMXKGNYVSYYAX-QMAVJUDZSA-N 1 2 234.299 1.252 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCN2CC[C@@H]2C1 ZINC001206988622 968527771 /nfs/dbraw/zinc/52/77/71/968527771.db2.gz APIITNDXHGLJCU-SNVBAGLBSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1ncsc1C[N@H+]1CCN2CC[C@@H]2C1 ZINC001206988622 968527778 /nfs/dbraw/zinc/52/77/78/968527778.db2.gz APIITNDXHGLJCU-SNVBAGLBSA-N 1 2 223.345 1.341 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC001207014097 968549779 /nfs/dbraw/zinc/54/97/79/968549779.db2.gz WQNNGARLHGETQA-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC001207014097 968549785 /nfs/dbraw/zinc/54/97/85/968549785.db2.gz WQNNGARLHGETQA-NSHDSACASA-N 1 2 221.304 1.478 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncccn2)CC1 ZINC001207018806 968557746 /nfs/dbraw/zinc/55/77/46/968557746.db2.gz IPSLQPWGONVMKM-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncccn2)CC1 ZINC001207018806 968557750 /nfs/dbraw/zinc/55/77/50/968557750.db2.gz IPSLQPWGONVMKM-LLVKDONJSA-N 1 2 249.314 1.252 20 0 BDADLO CCN(CCC(N)=O)Cc1[nH+]cc2ccccn21 ZINC001207051985 968581441 /nfs/dbraw/zinc/58/14/41/968581441.db2.gz VCOLJCWJZGUNSS-UHFFFAOYSA-N 1 2 246.314 1.032 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc3ccccn32)CCCO1 ZINC001207047908 968582233 /nfs/dbraw/zinc/58/22/33/968582233.db2.gz DXOHPHOJWKXZNX-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc3ccccn32)CCCO1 ZINC001207047908 968582240 /nfs/dbraw/zinc/58/22/40/968582240.db2.gz DXOHPHOJWKXZNX-GFCCVEGCSA-N 1 2 245.326 1.945 20 0 BDADLO O=c1cccc(C[N@H+]2CCC[C@H](F)C2)[nH]1 ZINC001207069150 968602406 /nfs/dbraw/zinc/60/24/06/968602406.db2.gz KOBYZEOPMZFKCV-VIFPVBQESA-N 1 2 210.252 1.721 20 0 BDADLO O=c1cccc(C[N@@H+]2CCC[C@H](F)C2)[nH]1 ZINC001207069150 968602410 /nfs/dbraw/zinc/60/24/10/968602410.db2.gz KOBYZEOPMZFKCV-VIFPVBQESA-N 1 2 210.252 1.721 20 0 BDADLO O=c1cccc(C[N@@H+]2CCOC3(CC3)C2)[nH]1 ZINC001207072698 968604409 /nfs/dbraw/zinc/60/44/09/968604409.db2.gz DSQMMLHOHGXYDB-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO O=c1cccc(C[N@H+]2CCOC3(CC3)C2)[nH]1 ZINC001207072698 968604414 /nfs/dbraw/zinc/60/44/14/968604414.db2.gz DSQMMLHOHGXYDB-UHFFFAOYSA-N 1 2 220.272 1.152 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](F)C[C@H]2C)cn1 ZINC001207071539 968605179 /nfs/dbraw/zinc/60/51/79/968605179.db2.gz CKPKFSNXUXDPFN-NXEZZACHSA-N 1 2 209.268 1.717 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](F)C[C@H]2C)cn1 ZINC001207071539 968605183 /nfs/dbraw/zinc/60/51/83/968605183.db2.gz CKPKFSNXUXDPFN-NXEZZACHSA-N 1 2 209.268 1.717 20 0 BDADLO CCc1nccc(C[N@@H+]2CCC[C@H](F)C2)n1 ZINC001207085911 968616815 /nfs/dbraw/zinc/61/68/15/968616815.db2.gz IFFMDMPCLVBWAH-JTQLQIEISA-N 1 2 223.295 1.973 20 0 BDADLO CCc1nccc(C[N@H+]2CCC[C@H](F)C2)n1 ZINC001207085911 968616821 /nfs/dbraw/zinc/61/68/21/968616821.db2.gz IFFMDMPCLVBWAH-JTQLQIEISA-N 1 2 223.295 1.973 20 0 BDADLO CCc1nccc(C[N@@H+]2CCOC[C@@H]2C(C)C)n1 ZINC001207088972 968622167 /nfs/dbraw/zinc/62/21/67/968622167.db2.gz ZJYXMCKOBDBPQG-CYBMUJFWSA-N 1 2 249.358 1.896 20 0 BDADLO CCc1nccc(C[N@H+]2CCOC[C@@H]2C(C)C)n1 ZINC001207088972 968622171 /nfs/dbraw/zinc/62/21/71/968622171.db2.gz ZJYXMCKOBDBPQG-CYBMUJFWSA-N 1 2 249.358 1.896 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207093780 968624618 /nfs/dbraw/zinc/62/46/18/968624618.db2.gz PNKFPCREXFEBAJ-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207093780 968624626 /nfs/dbraw/zinc/62/46/26/968624626.db2.gz PNKFPCREXFEBAJ-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ncc(F)cc1F ZINC001207097482 968629625 /nfs/dbraw/zinc/62/96/25/968629625.db2.gz RFROBLPHCXPNPI-SCZZXKLOSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ncc(F)cc1F ZINC001207097482 968629631 /nfs/dbraw/zinc/62/96/31/968629631.db2.gz RFROBLPHCXPNPI-SCZZXKLOSA-N 1 2 242.269 1.705 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cnc(C)cn2)[nH+]c1C ZINC000825281594 968640017 /nfs/dbraw/zinc/64/00/17/968640017.db2.gz IOBDDDKPIJNSNE-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)on1 ZINC000825297088 968640133 /nfs/dbraw/zinc/64/01/33/968640133.db2.gz ZEAXTDBVFLMYII-UHFFFAOYSA-N 1 2 248.286 1.345 20 0 BDADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CC(C)(C)O ZINC001252365197 968641926 /nfs/dbraw/zinc/64/19/26/968641926.db2.gz GNMGZRKDEGZMMV-SNVBAGLBSA-N 1 2 231.336 1.325 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)noc1C ZINC001207139891 968649770 /nfs/dbraw/zinc/64/97/70/968649770.db2.gz JZSHKJOZCOWGAF-LBPRGKRZSA-N 1 2 222.288 1.845 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)noc1C ZINC001207139891 968649774 /nfs/dbraw/zinc/64/97/74/968649774.db2.gz JZSHKJOZCOWGAF-LBPRGKRZSA-N 1 2 222.288 1.845 20 0 BDADLO COC(=O)[C@@H](O)CNc1[nH+]ccc2ccccc21 ZINC001252407057 968661678 /nfs/dbraw/zinc/66/16/78/968661678.db2.gz UOLKPRORRCNDLX-NSHDSACASA-N 1 2 246.266 1.181 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)c1cnccn1 ZINC001085446681 968715762 /nfs/dbraw/zinc/71/57/62/968715762.db2.gz JXZTYSDKARNDCG-PWSUYJOCSA-N 1 2 248.330 1.090 20 0 BDADLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1cnccn1 ZINC001085446681 968715769 /nfs/dbraw/zinc/71/57/69/968715769.db2.gz JXZTYSDKARNDCG-PWSUYJOCSA-N 1 2 248.330 1.090 20 0 BDADLO COc1cccc(CC[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001207433451 968768961 /nfs/dbraw/zinc/76/89/61/968768961.db2.gz SSTWFNFAYNWVPK-KGLIPLIRSA-N 1 2 233.311 1.711 20 0 BDADLO COc1cccc(CC[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001207433451 968768968 /nfs/dbraw/zinc/76/89/68/968768968.db2.gz SSTWFNFAYNWVPK-KGLIPLIRSA-N 1 2 233.311 1.711 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)c1cc[nH]c1 ZINC001085612387 968817455 /nfs/dbraw/zinc/81/74/55/968817455.db2.gz QOJQBWMARUNZAN-NSHDSACASA-N 1 2 239.294 1.131 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)c1cc[nH]c1 ZINC001085612387 968817460 /nfs/dbraw/zinc/81/74/60/968817460.db2.gz QOJQBWMARUNZAN-NSHDSACASA-N 1 2 239.294 1.131 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001085769439 968847622 /nfs/dbraw/zinc/84/76/22/968847622.db2.gz JAIZBZIETMKJLY-DCAQKATOSA-N 1 2 228.311 1.145 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001085769439 968847629 /nfs/dbraw/zinc/84/76/29/968847629.db2.gz JAIZBZIETMKJLY-DCAQKATOSA-N 1 2 228.311 1.145 20 0 BDADLO c1ccc([C@@H]2C[N@H+](C[C@H]3CCCO3)CCO2)nc1 ZINC001207887451 968912334 /nfs/dbraw/zinc/91/23/34/968912334.db2.gz JHBGHCPBQXOTSK-OCCSQVGLSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)nc1 ZINC001207887451 968912343 /nfs/dbraw/zinc/91/23/43/968912343.db2.gz JHBGHCPBQXOTSK-OCCSQVGLSA-N 1 2 248.326 1.634 20 0 BDADLO Cc1ccnc(NC(=[NH2+])C(C)(C)C)c1C(N)=O ZINC001155181551 968919406 /nfs/dbraw/zinc/91/94/06/968919406.db2.gz UEBNLIRIXSGCCN-UHFFFAOYSA-N 1 2 234.303 1.924 20 0 BDADLO CCC[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252779743 968951607 /nfs/dbraw/zinc/95/16/07/968951607.db2.gz UEFPPFSDKKGXIN-GXSJLCMTSA-N 1 2 224.304 1.708 20 0 BDADLO CC1=C[C@@H](C)[C@@H](C[NH+]2CC(F)(CO)C2)CC1 ZINC001208163024 969092648 /nfs/dbraw/zinc/09/26/48/969092648.db2.gz UAUMFHMAGZWIOM-VXGBXAGGSA-N 1 2 227.323 1.995 20 0 BDADLO c1cnn(-c2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC001242017947 969171569 /nfs/dbraw/zinc/17/15/69/969171569.db2.gz ZDHZEHANJXNRDR-UHFFFAOYSA-N 1 2 211.228 1.657 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc2c1NC(=O)C2 ZINC001242072898 969197795 /nfs/dbraw/zinc/19/77/95/969197795.db2.gz SYBQONRITHDXGM-UHFFFAOYSA-N 1 2 240.266 1.529 20 0 BDADLO CCCCC[C@@H](O)C[NH2+]Cc1ncon1 ZINC001253520983 969198157 /nfs/dbraw/zinc/19/81/57/969198157.db2.gz YIWNUWDSBCZGKT-SECBINFHSA-N 1 2 213.281 1.100 20 0 BDADLO c1cc(C2=CCOCC2)cc(N2CCOCC2)[nH+]1 ZINC001242074588 969199443 /nfs/dbraw/zinc/19/94/43/969199443.db2.gz GRVHSJBUQZWAMM-UHFFFAOYSA-N 1 2 246.310 1.722 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(C2=CCOCC2)cc1 ZINC001242077051 969200273 /nfs/dbraw/zinc/20/02/73/969200273.db2.gz LMCOEJJYCBWXPK-ZDUSSCGKSA-N 1 2 247.294 1.663 20 0 BDADLO CCCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC001253549167 969220867 /nfs/dbraw/zinc/22/08/67/969220867.db2.gz NVVVJTRBAPOJFF-NEPJUHHUSA-N 1 2 245.363 1.715 20 0 BDADLO Cc1cc(NCCn2cnnc2)[nH+]c2cc[nH]c21 ZINC001168876324 969256625 /nfs/dbraw/zinc/25/66/25/969256625.db2.gz KPPLVXQHWDKEJJ-UHFFFAOYSA-N 1 2 242.286 1.575 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2cc(C)cc(C)n2)C[NH2+]1 ZINC001156239949 969322977 /nfs/dbraw/zinc/32/29/77/969322977.db2.gz CTOXHXUBSSIHBH-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2cc(C)cc(C)[nH+]2)CN1 ZINC001156239949 969322986 /nfs/dbraw/zinc/32/29/86/969322986.db2.gz CTOXHXUBSSIHBH-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCC[C@H](F)C1 ZINC001253682804 969330090 /nfs/dbraw/zinc/33/00/90/969330090.db2.gz VITJUAOBOGBLGP-UWVGGRQHSA-N 1 2 247.310 1.123 20 0 BDADLO CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCC[C@H](F)C1 ZINC001253682804 969330094 /nfs/dbraw/zinc/33/00/94/969330094.db2.gz VITJUAOBOGBLGP-UWVGGRQHSA-N 1 2 247.310 1.123 20 0 BDADLO COCCC[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001209054244 969339585 /nfs/dbraw/zinc/33/95/85/969339585.db2.gz ZXEWVWIRTPSHDH-UHFFFAOYSA-N 1 2 221.247 1.133 20 0 BDADLO CCOc1cc[nH+]cc1NC[C@@H](O)C(C)C ZINC001253753043 969369599 /nfs/dbraw/zinc/36/95/99/969369599.db2.gz LNGNPSADYYIIAB-LLVKDONJSA-N 1 2 224.304 1.909 20 0 BDADLO c1cc(CCC[N@@H+]2Cc3cncnc3C2)ccn1 ZINC001209184232 969376502 /nfs/dbraw/zinc/37/65/02/969376502.db2.gz HSMITMWZBZBQEX-UHFFFAOYSA-N 1 2 240.310 1.820 20 0 BDADLO c1cc(CCC[N@H+]2Cc3cncnc3C2)ccn1 ZINC001209184232 969376506 /nfs/dbraw/zinc/37/65/06/969376506.db2.gz HSMITMWZBZBQEX-UHFFFAOYSA-N 1 2 240.310 1.820 20 0 BDADLO c1csc(CC[N@@H+]2CCn3nncc3C2)c1 ZINC001209226242 969411778 /nfs/dbraw/zinc/41/17/78/969411778.db2.gz PIITURFXVUJIRU-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO c1csc(CC[N@H+]2CCn3nncc3C2)c1 ZINC001209226242 969411782 /nfs/dbraw/zinc/41/17/82/969411782.db2.gz PIITURFXVUJIRU-UHFFFAOYSA-N 1 2 234.328 1.398 20 0 BDADLO CCCCS(=O)(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001253932000 969422744 /nfs/dbraw/zinc/42/27/44/969422744.db2.gz ZYNBWIIHOMXXSM-UHFFFAOYSA-N 1 2 248.392 1.189 20 0 BDADLO Cc1cc(N[C@H]2COC(=O)C2)[nH+]c2cc[nH]c21 ZINC001169124632 969425059 /nfs/dbraw/zinc/42/50/59/969425059.db2.gz XVMAYIPTEKQFEV-MRVPVSSYSA-N 1 2 231.255 1.599 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)n[nH]1 ZINC001254019528 969449825 /nfs/dbraw/zinc/44/98/25/969449825.db2.gz UBXQCVGBBKVPGP-NSHDSACASA-N 1 2 225.336 1.557 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)n[nH]1 ZINC001254019528 969449836 /nfs/dbraw/zinc/44/98/36/969449836.db2.gz UBXQCVGBBKVPGP-NSHDSACASA-N 1 2 225.336 1.557 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCC(C)(C)OC ZINC001209402744 969473834 /nfs/dbraw/zinc/47/38/34/969473834.db2.gz QLVMAQHIIMMJQQ-ZJUUUORDSA-N 1 2 247.310 1.387 20 0 BDADLO COc1cncc(CCNc2cc[nH+]c(C)n2)c1 ZINC001169265114 969524639 /nfs/dbraw/zinc/52/46/39/969524639.db2.gz CGLRYPRFLOYAMW-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO C[N@H+](CCF)Cc1cc2c(cn1)OCCC2 ZINC001209507592 969528018 /nfs/dbraw/zinc/52/80/18/969528018.db2.gz OKDUPROUHIWQDL-UHFFFAOYSA-N 1 2 224.279 1.808 20 0 BDADLO C[N@@H+](CCF)Cc1cc2c(cn1)OCCC2 ZINC001209507592 969528025 /nfs/dbraw/zinc/52/80/25/969528025.db2.gz OKDUPROUHIWQDL-UHFFFAOYSA-N 1 2 224.279 1.808 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cc3c(cn2)OCCC3)C1 ZINC001209503789 969530441 /nfs/dbraw/zinc/53/04/41/969530441.db2.gz GYTKZFBUIMAEFL-NSHDSACASA-N 1 2 236.290 1.950 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cc3c(cn2)OCCC3)C1 ZINC001209503789 969530450 /nfs/dbraw/zinc/53/04/50/969530450.db2.gz GYTKZFBUIMAEFL-NSHDSACASA-N 1 2 236.290 1.950 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001209554794 969536444 /nfs/dbraw/zinc/53/64/44/969536444.db2.gz NRGUPQLWKOTAJY-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001209554794 969536451 /nfs/dbraw/zinc/53/64/51/969536451.db2.gz NRGUPQLWKOTAJY-LBPRGKRZSA-N 1 2 241.310 1.405 20 0 BDADLO CN(C)c1ccc(N[C@H]2CCC[C@@H](O)C2)[nH+]c1 ZINC001169251358 969541163 /nfs/dbraw/zinc/54/11/63/969541163.db2.gz UMKIWZKJLDPTFQ-CMPLNLGQSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001209557460 969543817 /nfs/dbraw/zinc/54/38/17/969543817.db2.gz VCZPHUPDKXZBPM-LDYMZIIASA-N 1 2 209.293 1.063 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC001209557460 969543825 /nfs/dbraw/zinc/54/38/25/969543825.db2.gz VCZPHUPDKXZBPM-LDYMZIIASA-N 1 2 209.293 1.063 20 0 BDADLO Cc1ccc(C[N@H+](C2CC2)C2COC2)[nH]1 ZINC001209573890 969557266 /nfs/dbraw/zinc/55/72/66/969557266.db2.gz DHELECUGWIOQJR-UHFFFAOYSA-N 1 2 206.289 1.686 20 0 BDADLO Cc1nc2ccccn2c1C[N@@H+](C)C1(C)COC1 ZINC001209649854 969572800 /nfs/dbraw/zinc/57/28/00/969572800.db2.gz QZMKRMIALAZCCX-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1nc2ccccn2c1C[N@H+](C)C1(C)COC1 ZINC001209649854 969572806 /nfs/dbraw/zinc/57/28/06/969572806.db2.gz QZMKRMIALAZCCX-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCOC1 ZINC001254363693 969574835 /nfs/dbraw/zinc/57/48/35/969574835.db2.gz CUEMGKNNNRWUCE-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCCOC2)CCCC1 ZINC001254368128 969582001 /nfs/dbraw/zinc/58/20/01/969582001.db2.gz WBWDUVBVHPJZMA-SNVBAGLBSA-N 1 2 227.304 1.241 20 0 BDADLO Nc1cc[nH+]cc1CN1CCC[C@@H](C(F)F)C1 ZINC001209731597 969595049 /nfs/dbraw/zinc/59/50/49/969595049.db2.gz ULGMBGQIPAVSMX-SECBINFHSA-N 1 2 241.285 1.971 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2cnccc2N)C1 ZINC001209735616 969599284 /nfs/dbraw/zinc/59/92/84/969599284.db2.gz YLNMHYPJCBHLEE-LBPRGKRZSA-N 1 2 235.331 1.495 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2cnccc2N)C1 ZINC001209735616 969599291 /nfs/dbraw/zinc/59/92/91/969599291.db2.gz YLNMHYPJCBHLEE-LBPRGKRZSA-N 1 2 235.331 1.495 20 0 BDADLO c1cc([C@H]2C[N@H+]([C@H]3CCCOC3)CCO2)ccn1 ZINC001254385895 969604885 /nfs/dbraw/zinc/60/48/85/969604885.db2.gz KEOLOQWRXUVARN-UONOGXRCSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)ccn1 ZINC001254385895 969604891 /nfs/dbraw/zinc/60/48/91/969604891.db2.gz KEOLOQWRXUVARN-UONOGXRCSA-N 1 2 248.326 1.634 20 0 BDADLO C[C@H](c1nc(-c2ccn(C)c2)no1)n1cc[nH+]c1 ZINC000350351769 969611172 /nfs/dbraw/zinc/61/11/72/969611172.db2.gz NWPDNXPWNKKTFW-SECBINFHSA-N 1 2 243.270 1.881 20 0 BDADLO F[C@@H]1CCCC[N@H+](Cc2cnccn2)C1 ZINC001209783892 969618395 /nfs/dbraw/zinc/61/83/95/969618395.db2.gz ZVIYSBIHXLADFQ-SNVBAGLBSA-N 1 2 209.268 1.801 20 0 BDADLO F[C@@H]1CCCC[N@@H+](Cc2cnccn2)C1 ZINC001209783892 969618403 /nfs/dbraw/zinc/61/84/03/969618403.db2.gz ZVIYSBIHXLADFQ-SNVBAGLBSA-N 1 2 209.268 1.801 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@@H+](C1CCC3(CC3)CC1)C2 ZINC001254448945 969622055 /nfs/dbraw/zinc/62/20/55/969622055.db2.gz GGFQYLUSBAQXOZ-QWRGUYRKSA-N 1 2 221.300 1.709 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@H+](C1CCC3(CC3)CC1)C2 ZINC001254448945 969622061 /nfs/dbraw/zinc/62/20/61/969622061.db2.gz GGFQYLUSBAQXOZ-QWRGUYRKSA-N 1 2 221.300 1.709 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2cc[nH+]nc2)on1 ZINC001209952835 969712556 /nfs/dbraw/zinc/71/25/56/969712556.db2.gz BUKYUTBDKHYBFW-MRVPVSSYSA-N 1 2 218.260 1.816 20 0 BDADLO CC(C)n1cc(NC[C@H]2COCC[N@@H+]2C)cn1 ZINC001169652706 969800765 /nfs/dbraw/zinc/80/07/65/969800765.db2.gz BIMDLRLJNYYKES-LBPRGKRZSA-N 1 2 238.335 1.207 20 0 BDADLO CC(C)n1cc(NC[C@H]2COCC[N@H+]2C)cn1 ZINC001169652706 969800770 /nfs/dbraw/zinc/80/07/70/969800770.db2.gz BIMDLRLJNYYKES-LBPRGKRZSA-N 1 2 238.335 1.207 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cnc(C2CC2)nc1 ZINC001169653414 969801154 /nfs/dbraw/zinc/80/11/54/969801154.db2.gz IYOSVIRRGZPBNC-LBPRGKRZSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cnc(C2CC2)nc1 ZINC001169653414 969801157 /nfs/dbraw/zinc/80/11/57/969801157.db2.gz IYOSVIRRGZPBNC-LBPRGKRZSA-N 1 2 248.330 1.097 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2cc[nH]c2c1 ZINC001169654448 969802084 /nfs/dbraw/zinc/80/20/84/969802084.db2.gz RYQZKQHQZQHTTP-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cnc2cc[nH]c2c1 ZINC001169654448 969802089 /nfs/dbraw/zinc/80/20/89/969802089.db2.gz RYQZKQHQZQHTTP-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO C=CC(=O)NCCNc1ccn2cc[nH+]c2c1 ZINC001169805114 969852545 /nfs/dbraw/zinc/85/25/45/969852545.db2.gz XCKFBLXCRHCTKA-UHFFFAOYSA-N 1 2 230.271 1.048 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1C1CCOCC1 ZINC001255038673 969853754 /nfs/dbraw/zinc/85/37/54/969853754.db2.gz MFCVAKNBXMQFBT-JTQLQIEISA-N 1 2 235.274 1.257 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@H+]1C1CCOCC1 ZINC001255038673 969853759 /nfs/dbraw/zinc/85/37/59/969853759.db2.gz MFCVAKNBXMQFBT-JTQLQIEISA-N 1 2 235.274 1.257 20 0 BDADLO COc1ncc(Nc2c[nH+]c(C)c(N)c2)c(C)n1 ZINC001210287054 969854318 /nfs/dbraw/zinc/85/43/18/969854318.db2.gz JMCGOOBYQAFWJL-UHFFFAOYSA-N 1 2 245.286 1.823 20 0 BDADLO CNC(=O)[C@H](C)Nc1c[nH+]cc(C)c1C ZINC001169986059 969936377 /nfs/dbraw/zinc/93/63/77/969936377.db2.gz BNGBCQIHVRYUFA-VIFPVBQESA-N 1 2 207.277 1.245 20 0 BDADLO CC(C)[C@@H]1C[N@H+](CCOC(=O)N(C)C)CCO1 ZINC001255103589 969938779 /nfs/dbraw/zinc/93/87/79/969938779.db2.gz KZHAMKXEQJXKJV-NSHDSACASA-N 1 2 244.335 1.041 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](CCOC(=O)N(C)C)CCO1 ZINC001255103589 969938784 /nfs/dbraw/zinc/93/87/84/969938784.db2.gz KZHAMKXEQJXKJV-NSHDSACASA-N 1 2 244.335 1.041 20 0 BDADLO CCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109746087 970018787 /nfs/dbraw/zinc/01/87/87/970018787.db2.gz LRMRYDBVDGJBTL-LLVKDONJSA-N 1 2 248.330 1.502 20 0 BDADLO COc1cc(Nc2ccncn2)cc(C)[nH+]1 ZINC001210776356 970027570 /nfs/dbraw/zinc/02/75/70/970027570.db2.gz OMWCYVMBSIOIAS-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO CCCC[C@@H](C)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001255314133 970086027 /nfs/dbraw/zinc/08/60/27/970086027.db2.gz WTFWZTMDUXNXCH-MXWKQRLJSA-N 1 2 231.336 1.467 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CCC=CO1)n1cc[nH+]c1 ZINC001255391026 970128157 /nfs/dbraw/zinc/12/81/57/970128157.db2.gz NVTOGXZLNKFFMX-QWRGUYRKSA-N 1 2 235.287 1.253 20 0 BDADLO COC(=O)c1cc(-c2c[nH+]cn2C)cnc1F ZINC001243069774 970259791 /nfs/dbraw/zinc/25/97/91/970259791.db2.gz YFRYTABCNZWGCQ-UHFFFAOYSA-N 1 2 235.218 1.408 20 0 BDADLO Cn1c[nH+]cc1-c1ccccc1NC(N)=O ZINC001243069409 970261220 /nfs/dbraw/zinc/26/12/20/970261220.db2.gz RGCYEAQAPNKLKO-UHFFFAOYSA-N 1 2 216.244 1.578 20 0 BDADLO Cc1cc(NCC(=O)CCO)ccc1[NH+](C)C ZINC001170101521 970291249 /nfs/dbraw/zinc/29/12/49/970291249.db2.gz SMIVFOXKRFHNMF-UHFFFAOYSA-N 1 2 236.315 1.424 20 0 BDADLO c1[nH]cc(CCc2nnc([C@@H]3CCOC3)o2)[nH+]1 ZINC001255531955 970294231 /nfs/dbraw/zinc/29/42/31/970294231.db2.gz XSYVOKKALHVIFM-MRVPVSSYSA-N 1 2 234.259 1.082 20 0 BDADLO COC[C@H](C)[NH2+]C1(c2ncccn2)CC1 ZINC001255563528 970347108 /nfs/dbraw/zinc/34/71/08/970347108.db2.gz VWZVXYBFIAEEJN-VIFPVBQESA-N 1 2 207.277 1.090 20 0 BDADLO C[C@H]1CC[C@@H]([NH+]2CC(O)(C(F)(F)F)C2)C1 ZINC001170133821 970400583 /nfs/dbraw/zinc/40/05/83/970400583.db2.gz VDTPWPVJCKSDMP-JGVFFNPUSA-N 1 2 223.238 1.784 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@@H+]1[C@H]1CC[C@H](C)C1 ZINC001170161153 970500929 /nfs/dbraw/zinc/50/09/29/970500929.db2.gz LPJGMXOOHZTMFP-GVXVVHGQSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@]1(C)COCC[N@H+]1[C@H]1CC[C@H](C)C1 ZINC001170161153 970500937 /nfs/dbraw/zinc/50/09/37/970500937.db2.gz LPJGMXOOHZTMFP-GVXVVHGQSA-N 1 2 241.331 1.439 20 0 BDADLO CNc1cc(N(C)Cc2cnc(C)s2)nc[nH+]1 ZINC000400159240 970554410 /nfs/dbraw/zinc/55/44/10/970554410.db2.gz YDFFSYUCDNQIMD-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO CNc1cc(N(C)Cc2cnc(C)s2)[nH+]cn1 ZINC000400159240 970554422 /nfs/dbraw/zinc/55/44/22/970554422.db2.gz YDFFSYUCDNQIMD-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)no1 ZINC001256280965 970724920 /nfs/dbraw/zinc/72/49/20/970724920.db2.gz ZPRANMQNKNMJGA-JOYOIKCWSA-N 1 2 247.298 1.762 20 0 BDADLO C[C@@H](CC(=O)N1CC[C@]12CCOC2)n1cc[nH+]c1 ZINC001327350410 972551376 /nfs/dbraw/zinc/55/13/76/972551376.db2.gz CYJKZZFSWIOVME-WCQYABFASA-N 1 2 249.314 1.226 20 0 BDADLO Cc1c(O)cccc1CN1CCn2c[nH+]cc2C1 ZINC001144118313 972589754 /nfs/dbraw/zinc/58/97/54/972589754.db2.gz SDEZRXHSWWITIY-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO COC(C[C@@H](C)OCc1c[nH+]cn1C)OC ZINC001222594947 972593888 /nfs/dbraw/zinc/59/38/88/972593888.db2.gz JOILIXRBILXHAO-SECBINFHSA-N 1 2 228.292 1.334 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1CCOC[C@H]1F ZINC001222600629 972596940 /nfs/dbraw/zinc/59/69/40/972596940.db2.gz SRJGHCNLSPPPCI-NXEZZACHSA-N 1 2 214.240 1.064 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC2CCCC2)C[N@@H+]1C ZINC001222709360 972656491 /nfs/dbraw/zinc/65/64/91/972656491.db2.gz XIHZSSQLHXWVGD-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCC2CCCC2)C[N@H+]1C ZINC001222709360 972656498 /nfs/dbraw/zinc/65/64/98/972656498.db2.gz XIHZSSQLHXWVGD-NEPJUHHUSA-N 1 2 241.331 1.439 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144168682 972662001 /nfs/dbraw/zinc/66/20/01/972662001.db2.gz HYCDSNXLKJAYRE-NWDGAFQWSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144168682 972662007 /nfs/dbraw/zinc/66/20/07/972662007.db2.gz HYCDSNXLKJAYRE-NWDGAFQWSA-N 1 2 249.289 1.468 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2cc[nH]c2n1 ZINC001144168877 972662204 /nfs/dbraw/zinc/66/22/04/972662204.db2.gz OPDHDJMDRHNODX-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2cc[nH]c2n1 ZINC001144168877 972662216 /nfs/dbraw/zinc/66/22/16/972662216.db2.gz OPDHDJMDRHNODX-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc([C@@H]2CCCO2)no1 ZINC001327619049 972671873 /nfs/dbraw/zinc/67/18/73/972671873.db2.gz OVNAMDIXMVQNDI-IUCAKERBSA-N 1 2 241.291 1.346 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1[nH]nc2ccc(F)cc21 ZINC001144205951 972692432 /nfs/dbraw/zinc/69/24/32/972692432.db2.gz RKPWMHJDYWZSDI-JTQLQIEISA-N 1 2 249.289 1.923 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1[nH]nc2ccc(F)cc21 ZINC001144205951 972692445 /nfs/dbraw/zinc/69/24/45/972692445.db2.gz RKPWMHJDYWZSDI-JTQLQIEISA-N 1 2 249.289 1.923 20 0 BDADLO CC[N@H+](Cc1ccc(O)cn1)C1COC1 ZINC001144265595 972725709 /nfs/dbraw/zinc/72/57/09/972725709.db2.gz RDZCJWGMSWQXKG-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO CC[N@@H+](Cc1ccc(O)cn1)C1COC1 ZINC001144265595 972725719 /nfs/dbraw/zinc/72/57/19/972725719.db2.gz RDZCJWGMSWQXKG-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC001327790940 972733470 /nfs/dbraw/zinc/73/34/70/972733470.db2.gz FJUPDQKTXYJJKO-KCJUWKMLSA-N 1 2 246.318 1.116 20 0 BDADLO c1[nH+]c2n(c1CN1CC[C@@]13CCOC3)CCC2 ZINC001327824520 972746026 /nfs/dbraw/zinc/74/60/26/972746026.db2.gz RBKHKPPSVFYWJY-ZDUSSCGKSA-N 1 2 233.315 1.194 20 0 BDADLO C[C@@H](C(=O)NCC(C)(F)F)n1cc[nH+]c1 ZINC001327905870 972804593 /nfs/dbraw/zinc/80/45/93/972804593.db2.gz JQWUPSZEFQRQGF-ZETCQYMHSA-N 1 2 217.219 1.216 20 0 BDADLO CC[NH+]1CC(O[C@H](C(=O)OC)c2ccccc2)C1 ZINC001223066974 972833152 /nfs/dbraw/zinc/83/31/52/972833152.db2.gz AVPLKUSEGXNNPB-ZDUSSCGKSA-N 1 2 249.310 1.621 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144544970 972858571 /nfs/dbraw/zinc/85/85/71/972858571.db2.gz NGCMMLJISQTJBD-LBPRGKRZSA-N 1 2 243.253 1.627 20 0 BDADLO COC1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144611386 972885558 /nfs/dbraw/zinc/88/55/58/972885558.db2.gz MTZWEXQYXVJDNF-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC001144710833 972949590 /nfs/dbraw/zinc/94/95/90/972949590.db2.gz PSDQEUNZPHYJPH-LBPRGKRZSA-N 1 2 244.294 1.915 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+]1Cc1cccc2cc[nH]c21 ZINC001144710833 972949597 /nfs/dbraw/zinc/94/95/97/972949597.db2.gz PSDQEUNZPHYJPH-LBPRGKRZSA-N 1 2 244.294 1.915 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OCc1nccs1 ZINC001223351313 973003954 /nfs/dbraw/zinc/00/39/54/973003954.db2.gz AQMXOGGCZCQIJB-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@H]2CCCCO2)o1 ZINC001328433790 973056983 /nfs/dbraw/zinc/05/69/83/973056983.db2.gz PJDNRDODCKTNDL-SECBINFHSA-N 1 2 225.292 1.243 20 0 BDADLO COC(=O)Cc1ccc(COC2C[NH+](C)C2)cc1 ZINC001223475748 973090765 /nfs/dbraw/zinc/09/07/65/973090765.db2.gz LPOOLGDEFNIBAT-UHFFFAOYSA-N 1 2 249.310 1.233 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OCc1cscn1 ZINC001223563447 973176701 /nfs/dbraw/zinc/17/67/01/973176701.db2.gz WZYWMPVUALIXJH-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCc2ccoc2)C[N@@H+]1C ZINC001223785508 973275373 /nfs/dbraw/zinc/27/53/73/973275373.db2.gz MEBNOZGOOWTUJM-MNOVXSKESA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCc2ccoc2)C[N@H+]1C ZINC001223785508 973275388 /nfs/dbraw/zinc/27/53/88/973275388.db2.gz MEBNOZGOOWTUJM-MNOVXSKESA-N 1 2 239.271 1.042 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1cc[nH]c1 ZINC001146878057 973330459 /nfs/dbraw/zinc/33/04/59/973330459.db2.gz RQEIXNORNMVKLT-UHFFFAOYSA-N 1 2 226.239 1.915 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001328794571 973348228 /nfs/dbraw/zinc/34/82/28/973348228.db2.gz AIBPJPPUDMFDEQ-MXWKQRLJSA-N 1 2 249.314 1.128 20 0 BDADLO CCN(C(=O)c1ccc(C)nc1)C1C[NH+](C)C1 ZINC001147162513 973444665 /nfs/dbraw/zinc/44/46/65/973444665.db2.gz PJEOWEIKTKCQBR-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO COC(=O)[C@@H]1CN(c2nc(C)[nH+]cc2C)C[C@H]1C ZINC001329157362 973530611 /nfs/dbraw/zinc/53/06/11/973530611.db2.gz HXCHCOKNRSQJOR-MWLCHTKSSA-N 1 2 249.314 1.339 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)C[C@H]1C ZINC001147743489 973759713 /nfs/dbraw/zinc/75/97/13/973759713.db2.gz WYUVOUIIGXAXKI-RKDXNWHRSA-N 1 2 221.304 1.518 20 0 BDADLO CC(C)C(C)(C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001329619576 973854621 /nfs/dbraw/zinc/85/46/21/973854621.db2.gz DWZOMNFAOHTUSZ-JTQLQIEISA-N 1 2 223.320 1.995 20 0 BDADLO CC(C)=CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001099914455 973985725 /nfs/dbraw/zinc/98/57/25/973985725.db2.gz UGPFMLDEDJACJE-UHFFFAOYSA-N 1 2 248.330 1.304 20 0 BDADLO OC1C[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171475972 974082218 /nfs/dbraw/zinc/08/22/18/974082218.db2.gz IJCATGTYCXCKFE-JTQLQIEISA-N 1 2 239.265 1.499 20 0 BDADLO Cc1nc(NCCCNC(=O)C2(C)CC2)cc[nH+]1 ZINC001094848739 974209401 /nfs/dbraw/zinc/20/94/01/974209401.db2.gz YGTAEPSGEGHOQP-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO FC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccncc1 ZINC001204081937 974342258 /nfs/dbraw/zinc/34/22/58/974342258.db2.gz URPAWCPQEXTBQA-YHWZYXNKSA-N 1 2 236.290 1.783 20 0 BDADLO FC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccncc1 ZINC001204081937 974342262 /nfs/dbraw/zinc/34/22/62/974342262.db2.gz URPAWCPQEXTBQA-YHWZYXNKSA-N 1 2 236.290 1.783 20 0 BDADLO O=S1(=O)CCC(Oc2cc[nH+]cc2)CC1 ZINC001225291242 974365855 /nfs/dbraw/zinc/36/58/55/974365855.db2.gz QOXCEFYBYKGDLQ-UHFFFAOYSA-N 1 2 227.285 1.038 20 0 BDADLO O=C1CC[C@@H]2C[C@H]([N@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161422 974421137 /nfs/dbraw/zinc/42/11/37/974421137.db2.gz HNHNPILCGUJODP-DBIOUOCHSA-N 1 2 244.285 1.132 20 0 BDADLO O=C1CC[C@@H]2C[C@H]([N@@H+]3C[C@@H](F)[C@@H](F)C3)CCN12 ZINC001172161422 974421143 /nfs/dbraw/zinc/42/11/43/974421143.db2.gz HNHNPILCGUJODP-DBIOUOCHSA-N 1 2 244.285 1.132 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C(=O)OC(C)(C)C ZINC000300700095 974441867 /nfs/dbraw/zinc/44/18/67/974441867.db2.gz YPPPLXYTLOFWCD-AXFHLTTASA-N 1 2 243.347 1.467 20 0 BDADLO CC[NH+]1CC(Oc2cnc(Cl)nc2)C1 ZINC001225380604 974457920 /nfs/dbraw/zinc/45/79/20/974457920.db2.gz PZMVMWMWSZQYKW-UHFFFAOYSA-N 1 2 213.668 1.213 20 0 BDADLO C[N@H+](CC(F)F)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172195487 974483120 /nfs/dbraw/zinc/48/31/20/974483120.db2.gz ZWIFTFQKALQAOV-RKDXNWHRSA-N 1 2 232.274 1.337 20 0 BDADLO C[N@@H+](CC(F)F)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172195487 974483127 /nfs/dbraw/zinc/48/31/27/974483127.db2.gz ZWIFTFQKALQAOV-RKDXNWHRSA-N 1 2 232.274 1.337 20 0 BDADLO CO[C@H]1CC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC001330829751 974492182 /nfs/dbraw/zinc/49/21/82/974492182.db2.gz VZWOLNACMZCZTD-QWRGUYRKSA-N 1 2 222.288 1.553 20 0 BDADLO CCc1ncccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001225458247 974506507 /nfs/dbraw/zinc/50/65/07/974506507.db2.gz VXOGUMRHVSRLSR-LLVKDONJSA-N 1 2 236.315 1.353 20 0 BDADLO CCc1ncccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001225458247 974506512 /nfs/dbraw/zinc/50/65/12/974506512.db2.gz VXOGUMRHVSRLSR-LLVKDONJSA-N 1 2 236.315 1.353 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC1 ZINC001330933112 974535387 /nfs/dbraw/zinc/53/53/87/974535387.db2.gz HOGJYYOTWUBVOZ-RKDXNWHRSA-N 1 2 219.288 1.192 20 0 BDADLO Cc1noc(C2([NH2+][C@@H]3COC(C)(C)C3)CC2)n1 ZINC001172280809 974538239 /nfs/dbraw/zinc/53/82/39/974538239.db2.gz ZFXHARNGOSYHIE-VIFPVBQESA-N 1 2 237.303 1.524 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3cc[nH]c3c2)C1 ZINC001225652699 974623354 /nfs/dbraw/zinc/62/33/54/974623354.db2.gz AZMCEXZKIRSLSV-ZDUSSCGKSA-N 1 2 246.310 1.877 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3cc[nH]c3c2)C1 ZINC001225652699 974623359 /nfs/dbraw/zinc/62/33/59/974623359.db2.gz AZMCEXZKIRSLSV-ZDUSSCGKSA-N 1 2 246.310 1.877 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(F)cn1 ZINC001225694885 974648518 /nfs/dbraw/zinc/64/85/18/974648518.db2.gz NKNZZAROLJSCER-SNVBAGLBSA-N 1 2 240.278 1.320 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1Cc2ccncc2C1 ZINC001331225073 974652120 /nfs/dbraw/zinc/65/21/20/974652120.db2.gz NCEYPAOCGOWDKU-UHFFFAOYSA-N 1 2 242.282 1.198 20 0 BDADLO COCC1(N(C)C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001331245898 974659810 /nfs/dbraw/zinc/65/98/10/974659810.db2.gz RUEJSGCIDCQNNU-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO CCOCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001172423474 974695734 /nfs/dbraw/zinc/69/57/34/974695734.db2.gz NBYAZNFUKCWVET-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCOCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001172423474 974695738 /nfs/dbraw/zinc/69/57/38/974695738.db2.gz NBYAZNFUKCWVET-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO O=C(NC[C@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331501505 974742851 /nfs/dbraw/zinc/74/28/51/974742851.db2.gz LHVDRHOBEGNTAH-GMTAPVOTSA-N 1 2 249.314 1.056 20 0 BDADLO O=C(NC[C@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331501505 974742858 /nfs/dbraw/zinc/74/28/58/974742858.db2.gz LHVDRHOBEGNTAH-GMTAPVOTSA-N 1 2 249.314 1.056 20 0 BDADLO Cc1coc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001331554049 974761418 /nfs/dbraw/zinc/76/14/18/974761418.db2.gz SJNAKYOSVJXOMZ-JTQLQIEISA-N 1 2 236.271 1.224 20 0 BDADLO Cc1coc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001331554049 974761423 /nfs/dbraw/zinc/76/14/23/974761423.db2.gz SJNAKYOSVJXOMZ-JTQLQIEISA-N 1 2 236.271 1.224 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cnc3[nH]ccc3c2)C1 ZINC001226088040 974781865 /nfs/dbraw/zinc/78/18/65/974781865.db2.gz FUDNYQVNRDHWTF-LBPRGKRZSA-N 1 2 247.298 1.224 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cnc3[nH]ccc3c2)C1 ZINC001226088040 974781869 /nfs/dbraw/zinc/78/18/69/974781869.db2.gz FUDNYQVNRDHWTF-LBPRGKRZSA-N 1 2 247.298 1.224 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOC(C)(C)C ZINC001331866623 974843973 /nfs/dbraw/zinc/84/39/73/974843973.db2.gz RWLBTCVYIAGRET-MRVPVSSYSA-N 1 2 225.292 1.435 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOC(C)(C)C ZINC001331866623 974843975 /nfs/dbraw/zinc/84/39/75/974843975.db2.gz RWLBTCVYIAGRET-MRVPVSSYSA-N 1 2 225.292 1.435 20 0 BDADLO O=C(CC1COC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001331909624 974859844 /nfs/dbraw/zinc/85/98/44/974859844.db2.gz IDWQNCTVCXDOAH-GFCCVEGCSA-N 1 2 249.314 1.083 20 0 BDADLO Cc1ccc(CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001331915550 974864945 /nfs/dbraw/zinc/86/49/45/974864945.db2.gz MFJMDJGSLFVQEQ-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC2(F)F)C1 ZINC001172584749 974888747 /nfs/dbraw/zinc/88/87/47/974888747.db2.gz ADHFNPLZLXATQY-VGMNWLOBSA-N 1 2 233.258 1.715 20 0 BDADLO CC[N@@H+]1CC[C@H](Oc2nc(C)[nH]c(=O)c2F)C1 ZINC001226422784 974892408 /nfs/dbraw/zinc/89/24/08/974892408.db2.gz YSAVUCIFHRINGI-QMMMGPOBSA-N 1 2 241.266 1.103 20 0 BDADLO CC[N@H+]1CC[C@H](Oc2nc(C)[nH]c(=O)c2F)C1 ZINC001226422784 974892412 /nfs/dbraw/zinc/89/24/12/974892412.db2.gz YSAVUCIFHRINGI-QMMMGPOBSA-N 1 2 241.266 1.103 20 0 BDADLO OC1C[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172720173 974904516 /nfs/dbraw/zinc/90/45/16/974904516.db2.gz WNRUTEITAHBAOI-LLVKDONJSA-N 1 2 223.703 1.484 20 0 BDADLO Cc1nnc(OC2C[NH+](C(C)(C)C)C2)o1 ZINC001226457250 974908639 /nfs/dbraw/zinc/90/86/39/974908639.db2.gz ZXDZJELQZIYHGD-UHFFFAOYSA-N 1 2 211.265 1.240 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc3c[nH]nc3c2)C1 ZINC001226584683 974964160 /nfs/dbraw/zinc/96/41/60/974964160.db2.gz AWDGLGDYRPAZKD-GFCCVEGCSA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc3c[nH]nc3c2)C1 ZINC001226584683 974964168 /nfs/dbraw/zinc/96/41/68/974964168.db2.gz AWDGLGDYRPAZKD-GFCCVEGCSA-N 1 2 247.298 1.272 20 0 BDADLO CCc1nc(N2CCC[C@@H]2CC(=O)OC)cc[nH+]1 ZINC001332253253 975029609 /nfs/dbraw/zinc/02/96/09/975029609.db2.gz QFZABGAZQKQWJJ-SNVBAGLBSA-N 1 2 249.314 1.571 20 0 BDADLO C[NH+]1CC(Oc2nc3cc(F)ccc3[nH]2)C1 ZINC001226702143 975037242 /nfs/dbraw/zinc/03/72/42/975037242.db2.gz QRYIGFHTXIZUSY-UHFFFAOYSA-N 1 2 221.235 1.395 20 0 BDADLO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001173173621 975054594 /nfs/dbraw/zinc/05/45/94/975054594.db2.gz PYAAHPCBUPEUOG-LPEHRKFASA-N 1 2 235.274 1.256 20 0 BDADLO C[C@H]1C[C@@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)CCO1 ZINC001173173621 975054601 /nfs/dbraw/zinc/05/46/01/975054601.db2.gz PYAAHPCBUPEUOG-LPEHRKFASA-N 1 2 235.274 1.256 20 0 BDADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)on1 ZINC001095070757 975074580 /nfs/dbraw/zinc/07/45/80/975074580.db2.gz KELNOXOHLLZFRD-AGIUHOORSA-N 1 2 249.314 1.224 20 0 BDADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)on1 ZINC001095070757 975074587 /nfs/dbraw/zinc/07/45/87/975074587.db2.gz KELNOXOHLLZFRD-AGIUHOORSA-N 1 2 249.314 1.224 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1ccnc(F)c1 ZINC001226788059 975084286 /nfs/dbraw/zinc/08/42/86/975084286.db2.gz FTIOYARJRDBONA-JTQLQIEISA-N 1 2 240.278 1.320 20 0 BDADLO CC[S@](C)(=O)=NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001332400626 975095365 /nfs/dbraw/zinc/09/53/65/975095365.db2.gz IOSPWNSEEWECSQ-GLEZIHRCSA-N 1 2 229.305 1.088 20 0 BDADLO C[NH+]1CC(Oc2cnnc3ccccc32)C1 ZINC001226892745 975136448 /nfs/dbraw/zinc/13/64/48/975136448.db2.gz FIEUUZVUGJSKME-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC001332459256 975143180 /nfs/dbraw/zinc/14/31/80/975143180.db2.gz LNEQWYPTPNNGSC-WPRPVWTQSA-N 1 2 246.318 1.325 20 0 BDADLO CCSC[C@H](C)[NH2+][C@H](C(=O)OC)C(C)C ZINC001173293061 975167757 /nfs/dbraw/zinc/16/77/57/975167757.db2.gz WABQSBNDVRWLBJ-UWVGGRQHSA-N 1 2 233.377 1.915 20 0 BDADLO Cc1cc2c(ccnc2OC2C[NH+](C)C2)o1 ZINC001227086881 975259539 /nfs/dbraw/zinc/25/95/39/975259539.db2.gz MORSTGGVVUDRGR-UHFFFAOYSA-N 1 2 218.256 1.829 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H](C)O ZINC001332740019 975274516 /nfs/dbraw/zinc/27/45/16/975274516.db2.gz YGJMINXQVMRCSV-GCHJQGSQSA-N 1 2 241.331 1.077 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1cncnc1C ZINC001332944991 975332483 /nfs/dbraw/zinc/33/24/83/975332483.db2.gz FAKBRBHGHYTDAP-VIFPVBQESA-N 1 2 246.318 1.247 20 0 BDADLO COC(=O)CCCC[C@@H](C)[NH+]1CC(F)C1 ZINC001173448059 975391482 /nfs/dbraw/zinc/39/14/82/975391482.db2.gz TWNLBDIFISKAOG-SECBINFHSA-N 1 2 217.284 1.762 20 0 BDADLO O=C1[C@@H]([N@@H+]2CCC=C(Cl)C2)CCN1C1CC1 ZINC001333413971 975759848 /nfs/dbraw/zinc/75/98/48/975759848.db2.gz NRNPYONJNBWSOC-NSHDSACASA-N 1 2 240.734 1.578 20 0 BDADLO O=C1[C@@H]([N@H+]2CCC=C(Cl)C2)CCN1C1CC1 ZINC001333413971 975759860 /nfs/dbraw/zinc/75/98/60/975759860.db2.gz NRNPYONJNBWSOC-NSHDSACASA-N 1 2 240.734 1.578 20 0 BDADLO CO[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001333462348 975797751 /nfs/dbraw/zinc/79/77/51/975797751.db2.gz PSUXLEBCUMUCAX-JTQLQIEISA-N 1 2 245.282 1.424 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(CO)on1 ZINC001333559111 975851253 /nfs/dbraw/zinc/85/12/53/975851253.db2.gz NUUGJQYZGHMXOB-SECBINFHSA-N 1 2 235.287 1.356 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cccn1C1CC1 ZINC001333580195 975865060 /nfs/dbraw/zinc/86/50/60/975865060.db2.gz VMORTZGKYIRMMR-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@H](C3CC3)C2)[nH]1 ZINC001333589172 975873801 /nfs/dbraw/zinc/87/38/01/975873801.db2.gz AAMZAEDKYNVGBW-JTQLQIEISA-N 1 2 206.293 1.427 20 0 BDADLO S=c1ccnc(O[C@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC001228129086 975928736 /nfs/dbraw/zinc/92/87/36/975928736.db2.gz WHHOJMNQBUXORX-QMMMGPOBSA-N 1 2 248.311 1.356 20 0 BDADLO Nc1ccc(-c2nnnn2-c2cc[nH+]cc2)cc1 ZINC001173882718 975938338 /nfs/dbraw/zinc/93/83/38/975938338.db2.gz PMTJOIIAZVREKK-UHFFFAOYSA-N 1 2 238.254 1.307 20 0 BDADLO CN(C)c1cc(NC2CCOCC2)[nH+]cn1 ZINC001333679776 975978774 /nfs/dbraw/zinc/97/87/74/975978774.db2.gz WRPZCKSCPMYOGD-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO CN(C)c1cc(NC2CCOCC2)nc[nH+]1 ZINC001333679776 975978786 /nfs/dbraw/zinc/97/87/86/975978786.db2.gz WRPZCKSCPMYOGD-UHFFFAOYSA-N 1 2 222.292 1.134 20 0 BDADLO Cc1[nH]c2ccc(O[C@H]3CCOC3=O)cc2[nH+]1 ZINC001228325556 976121557 /nfs/dbraw/zinc/12/15/57/976121557.db2.gz ARUXCGZUGVOSOL-NSHDSACASA-N 1 2 232.239 1.566 20 0 BDADLO CCc1nccc(NCc2ccc(N)[nH+]c2)n1 ZINC001333942309 976176498 /nfs/dbraw/zinc/17/64/98/976176498.db2.gz DUNPFKWQIYLBOY-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(C2CCC2)nn1 ZINC001333952580 976181123 /nfs/dbraw/zinc/18/11/23/976181123.db2.gz HSOILXZDKWHZIR-UHFFFAOYSA-N 1 2 244.298 1.998 20 0 BDADLO Nc1nonc1Nc1ccc2[nH+]ccn2c1 ZINC001174276982 976508391 /nfs/dbraw/zinc/50/83/91/976508391.db2.gz AYMGHBNEDPGNGY-UHFFFAOYSA-N 1 2 216.204 1.043 20 0 BDADLO CC(C)[NH+]1CC(Oc2cncc(O)c2)C1 ZINC001228890490 976557410 /nfs/dbraw/zinc/55/74/10/976557410.db2.gz UYFFPHLFCCRFNV-UHFFFAOYSA-N 1 2 208.261 1.259 20 0 BDADLO CCC[C@@H]1C[N@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC001334627832 976568229 /nfs/dbraw/zinc/56/82/29/976568229.db2.gz YPQCPDWCDBRUPV-NXIHDVOMSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@@H]1C[N@@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC001334627832 976568241 /nfs/dbraw/zinc/56/82/41/976568241.db2.gz YPQCPDWCDBRUPV-NXIHDVOMSA-N 1 2 241.331 1.607 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccoc2)C1 ZINC001206223767 976691692 /nfs/dbraw/zinc/69/16/92/976691692.db2.gz YOWZYNWZGPJJBC-SECBINFHSA-N 1 2 234.221 1.745 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccoc2)C1 ZINC001206223767 976691702 /nfs/dbraw/zinc/69/17/02/976691702.db2.gz YOWZYNWZGPJJBC-SECBINFHSA-N 1 2 234.221 1.745 20 0 BDADLO CC[NH+]1CC(Oc2n[nH]c3cc(F)ccc32)C1 ZINC001229169112 976783792 /nfs/dbraw/zinc/78/37/92/976783792.db2.gz HYUGOXOOJZZALN-UHFFFAOYSA-N 1 2 235.262 1.785 20 0 BDADLO COc1nn(C)cc1C[NH2+]Cc1cnc(C)o1 ZINC001335131706 976860174 /nfs/dbraw/zinc/86/01/74/976860174.db2.gz GLVNUPWCOVKSHC-UHFFFAOYSA-N 1 2 236.275 1.015 20 0 BDADLO c1cn(-c2ccc(OC3COCOC3)cc2)c[nH+]1 ZINC001229951307 977032137 /nfs/dbraw/zinc/03/21/37/977032137.db2.gz QTJQGCWRIDNUOG-UHFFFAOYSA-N 1 2 246.266 1.624 20 0 BDADLO COc1cc(OC2C[NH+](C(C)(C)C)C2)ncn1 ZINC001230026492 977084159 /nfs/dbraw/zinc/08/41/59/977084159.db2.gz DHMMJPFAXUULOC-UHFFFAOYSA-N 1 2 237.303 1.347 20 0 BDADLO COC(=O)c1cc(C)c(OC2C[NH+](C)C2)cc1C ZINC001230527279 977236689 /nfs/dbraw/zinc/23/66/89/977236689.db2.gz AWBVMRXRDNQHKA-UHFFFAOYSA-N 1 2 249.310 1.783 20 0 BDADLO C[NH+]1CC(Oc2ccccc2-c2ncc[nH]2)C1 ZINC001230607552 977268096 /nfs/dbraw/zinc/26/80/96/977268096.db2.gz KFKDGPGJDPGNRB-UHFFFAOYSA-N 1 2 229.283 1.770 20 0 BDADLO Cn1nc(OC2C[NH+](C)C2)c2ccccc21 ZINC001230626281 977283323 /nfs/dbraw/zinc/28/33/23/977283323.db2.gz DTJSOWYNSUJVSI-UHFFFAOYSA-N 1 2 217.272 1.266 20 0 BDADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccns1 ZINC001335848414 977303004 /nfs/dbraw/zinc/30/30/04/977303004.db2.gz XFRNCUPNAZAUJA-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccns1 ZINC001335848414 977303007 /nfs/dbraw/zinc/30/30/07/977303007.db2.gz XFRNCUPNAZAUJA-IUCAKERBSA-N 1 2 239.344 1.308 20 0 BDADLO CN(C)c1ccc(Nc2cnn(C)n2)c[nH+]1 ZINC001175341838 977366566 /nfs/dbraw/zinc/36/65/66/977366566.db2.gz WDLCBVQRMUSHHH-UHFFFAOYSA-N 1 2 218.264 1.020 20 0 BDADLO Oc1cc2c(cc1O[C@@H]1CCOC1)CC[NH+]=C2 ZINC001230916404 977380259 /nfs/dbraw/zinc/38/02/59/977380259.db2.gz ZHAMYYRUWDBYBI-LLVKDONJSA-N 1 2 233.267 1.535 20 0 BDADLO Cc1cccc(F)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001231032382 977439235 /nfs/dbraw/zinc/43/92/35/977439235.db2.gz VHDLAHQOHSVJRS-LLVKDONJSA-N 1 2 239.290 1.844 20 0 BDADLO Cc1cccc(F)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001231032382 977439243 /nfs/dbraw/zinc/43/92/43/977439243.db2.gz VHDLAHQOHSVJRS-LLVKDONJSA-N 1 2 239.290 1.844 20 0 BDADLO CSC[C@@H](O)C[NH2+][C@H](c1ncon1)C(C)C ZINC001336035716 977442220 /nfs/dbraw/zinc/44/22/20/977442220.db2.gz NEQUDCFJGJOOPP-IUCAKERBSA-N 1 2 245.348 1.080 20 0 BDADLO C[N@@H+]1CC[C@@H](C(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC001336070900 977479606 /nfs/dbraw/zinc/47/96/06/977479606.db2.gz AZCIVCZVMXYWDR-JDNHERCYSA-N 1 2 246.376 1.361 20 0 BDADLO C[N@H+]1CC[C@@H](C(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC001336070900 977479610 /nfs/dbraw/zinc/47/96/10/977479610.db2.gz AZCIVCZVMXYWDR-JDNHERCYSA-N 1 2 246.376 1.361 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccsn1 ZINC001175521666 977505097 /nfs/dbraw/zinc/50/50/97/977505097.db2.gz BHDBXVYVDUGHGP-SSDOTTSWSA-N 1 2 211.290 1.176 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccsn1 ZINC001175521666 977505112 /nfs/dbraw/zinc/50/51/12/977505112.db2.gz BHDBXVYVDUGHGP-SSDOTTSWSA-N 1 2 211.290 1.176 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001231312683 977564823 /nfs/dbraw/zinc/56/48/23/977564823.db2.gz SEYFQFUASNGZEU-VXGBXAGGSA-N 1 2 244.354 1.925 20 0 BDADLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001231312683 977564834 /nfs/dbraw/zinc/56/48/34/977564834.db2.gz SEYFQFUASNGZEU-VXGBXAGGSA-N 1 2 244.354 1.925 20 0 BDADLO c1cc2cc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)ncc2[nH]1 ZINC001231668954 977676182 /nfs/dbraw/zinc/67/61/82/977676182.db2.gz PCRXYAPOYGWYHT-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2cc(C[N@H+]3C[C@@H]4C[C@H]3CO4)ncc2[nH]1 ZINC001231668954 977676196 /nfs/dbraw/zinc/67/61/96/977676196.db2.gz PCRXYAPOYGWYHT-RYUDHWBXSA-N 1 2 229.283 1.536 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCC(=O)C[C@H]2C)n1 ZINC001231669587 977684139 /nfs/dbraw/zinc/68/41/39/977684139.db2.gz KQHGDYYYUKDRPS-SNVBAGLBSA-N 1 2 234.299 1.649 20 0 BDADLO CCc1ccc(N(C)CC(=O)N(C)C)[nH+]c1 ZINC001336456883 977701249 /nfs/dbraw/zinc/70/12/49/977701249.db2.gz ZJSVIPWSKMQRHW-UHFFFAOYSA-N 1 2 221.304 1.168 20 0 BDADLO C[C@H](C1CC1)N(C)c1nccn2c[nH+]cc12 ZINC001336466516 977704912 /nfs/dbraw/zinc/70/49/12/977704912.db2.gz SZAXOJSFNIBDQR-SECBINFHSA-N 1 2 216.288 1.964 20 0 BDADLO COc1ncc(F)cc1C[N@H+](C)[C@@H]1CCOC1 ZINC001231746195 977728286 /nfs/dbraw/zinc/72/82/86/977728286.db2.gz ZRCPBMZGMZAVFM-LLVKDONJSA-N 1 2 240.278 1.450 20 0 BDADLO COc1ncc(F)cc1C[N@@H+](C)[C@@H]1CCOC1 ZINC001231746195 977728305 /nfs/dbraw/zinc/72/83/05/977728305.db2.gz ZRCPBMZGMZAVFM-LLVKDONJSA-N 1 2 240.278 1.450 20 0 BDADLO CSc1ccccc1C[NH+]1CC(C)(O)C1 ZINC001231783726 977746105 /nfs/dbraw/zinc/74/61/05/977746105.db2.gz JMHXJAHEGVVOBR-UHFFFAOYSA-N 1 2 223.341 1.975 20 0 BDADLO [NH3+]CC[C@H]1CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC001594654755 977765630 /nfs/dbraw/zinc/76/56/30/977765630.db2.gz WQTMPWVLBLWLGU-SNVBAGLBSA-N 1 2 249.314 1.345 20 0 BDADLO CCc1coc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001336583023 977797444 /nfs/dbraw/zinc/79/74/44/977797444.db2.gz MIEVIUDWXYYXSA-MRVPVSSYSA-N 1 2 248.286 1.777 20 0 BDADLO CCc1coc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001336583023 977797460 /nfs/dbraw/zinc/79/74/60/977797460.db2.gz MIEVIUDWXYYXSA-MRVPVSSYSA-N 1 2 248.286 1.777 20 0 BDADLO COc1cc[nH+]c(CN2CC3(CCO3)C2)c1 ZINC001231968662 977814159 /nfs/dbraw/zinc/81/41/59/977814159.db2.gz RGDKCWZFXHLXNG-UHFFFAOYSA-N 1 2 220.272 1.065 20 0 BDADLO COc1cc[nH+]c(CN2CCn3nccc3C2)c1 ZINC001231971465 977818194 /nfs/dbraw/zinc/81/81/94/977818194.db2.gz BLFRPFCIZFUASH-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCn2nccc2C1 ZINC001231985886 977822862 /nfs/dbraw/zinc/82/28/62/977822862.db2.gz VCTRQEAYUCENKN-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCn2nccc2C1 ZINC001231985886 977822867 /nfs/dbraw/zinc/82/28/67/977822867.db2.gz VCTRQEAYUCENKN-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cnc1F ZINC001231993171 977827035 /nfs/dbraw/zinc/82/70/35/977827035.db2.gz UEEKCAMNFLTZRQ-XCBNKYQSSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cnc1F ZINC001231993171 977827039 /nfs/dbraw/zinc/82/70/39/977827039.db2.gz UEEKCAMNFLTZRQ-XCBNKYQSSA-N 1 2 244.697 1.829 20 0 BDADLO O=c1ccc(C[N@H+]2CCC[C@@H](F)C2)n[nH]1 ZINC001232024175 977852415 /nfs/dbraw/zinc/85/24/15/977852415.db2.gz KHRWZRZPNZCTEM-MRVPVSSYSA-N 1 2 211.240 1.116 20 0 BDADLO O=c1ccc(C[N@@H+]2CCC[C@@H](F)C2)n[nH]1 ZINC001232024175 977852422 /nfs/dbraw/zinc/85/24/22/977852422.db2.gz KHRWZRZPNZCTEM-MRVPVSSYSA-N 1 2 211.240 1.116 20 0 BDADLO Cc1noc(NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC001336693153 977860757 /nfs/dbraw/zinc/86/07/57/977860757.db2.gz OWEJBZPMOXVGAE-LBPRGKRZSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1noc(NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC001336693153 977860765 /nfs/dbraw/zinc/86/07/65/977860765.db2.gz OWEJBZPMOXVGAE-LBPRGKRZSA-N 1 2 244.298 1.977 20 0 BDADLO Oc1cncc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001232044288 977869711 /nfs/dbraw/zinc/86/97/11/977869711.db2.gz ONRRAFDGKUTGAK-GFCCVEGCSA-N 1 2 220.272 1.152 20 0 BDADLO Oc1cncc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001232044288 977869713 /nfs/dbraw/zinc/86/97/13/977869713.db2.gz ONRRAFDGKUTGAK-GFCCVEGCSA-N 1 2 220.272 1.152 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232061692 977874524 /nfs/dbraw/zinc/87/45/24/977874524.db2.gz LKAPYWZIQWNXLT-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232061692 977874529 /nfs/dbraw/zinc/87/45/29/977874529.db2.gz LKAPYWZIQWNXLT-ZDUSSCGKSA-N 1 2 249.289 1.469 20 0 BDADLO CC(C)n1ncnc1C[NH2+]C(C)(C)CF ZINC001336711980 977875549 /nfs/dbraw/zinc/87/55/49/977875549.db2.gz UDMSWCSVADRMRZ-UHFFFAOYSA-N 1 2 214.288 1.697 20 0 BDADLO Cn1cnc2c1nc(Cl)nc2Nc1[nH]cc[nH+]1 ZINC001176082477 977880915 /nfs/dbraw/zinc/88/09/15/977880915.db2.gz MMLPHEGNMMNNIM-UHFFFAOYSA-N 1 2 249.665 1.483 20 0 BDADLO NC(=O)c1cc2c(ccn2-c2[nH]cc[nH+]2)c(N)c1 ZINC001176090381 977890883 /nfs/dbraw/zinc/89/08/83/977890883.db2.gz DKMHQNASRXAHGF-UHFFFAOYSA-N 1 2 241.254 1.035 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1(C)CC1 ZINC001336731280 977891549 /nfs/dbraw/zinc/89/15/49/977891549.db2.gz IHGLWTVZBSGTGR-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO Cn1cc(C[N@H+](C)C2(C)COC2)c(C2CC2)n1 ZINC001232169276 977900819 /nfs/dbraw/zinc/90/08/19/977900819.db2.gz JXVUTXNNJMJGFG-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO Cn1cc(C[N@@H+](C)C2(C)COC2)c(C2CC2)n1 ZINC001232169276 977900827 /nfs/dbraw/zinc/90/08/27/977900827.db2.gz JXVUTXNNJMJGFG-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO Cc1scnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC001232203857 977922374 /nfs/dbraw/zinc/92/23/74/977922374.db2.gz KOVAZDAVKKBTIW-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1scnc1C[N@H+](C)[C@@H]1CCOC1 ZINC001232203857 977922387 /nfs/dbraw/zinc/92/23/87/977922387.db2.gz KOVAZDAVKKBTIW-SECBINFHSA-N 1 2 212.318 1.672 20 0 BDADLO c1ncn2c1C[N@H+](C[C@H]1CCC3(CCC3)O1)CC2 ZINC001336773304 977942536 /nfs/dbraw/zinc/94/25/36/977942536.db2.gz CKBNIGINCVXNDT-CYBMUJFWSA-N 1 2 247.342 1.800 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@H]1CCC3(CCC3)O1)CC2 ZINC001336773304 977942542 /nfs/dbraw/zinc/94/25/42/977942542.db2.gz CKBNIGINCVXNDT-CYBMUJFWSA-N 1 2 247.342 1.800 20 0 BDADLO COc1cc[nH+]cc1Nc1ncn(C)c1C ZINC001176119482 977951110 /nfs/dbraw/zinc/95/11/10/977951110.db2.gz UVVFPWDVVFSHLZ-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO O[C@H](C[C@H](O)C[NH2+]CC(F)F)c1ccccc1 ZINC001336778632 977951533 /nfs/dbraw/zinc/95/15/33/977951533.db2.gz JLWAUKJAELIFSS-WDEREUQCSA-N 1 2 245.269 1.326 20 0 BDADLO c1nscc1C[NH+]1CCSCC1 ZINC001232226817 977955279 /nfs/dbraw/zinc/95/52/79/977955279.db2.gz YKYSJGPWVZZTCA-UHFFFAOYSA-N 1 2 200.332 1.692 20 0 BDADLO COC1(C[NH2+]C(C)(C)C(=O)OC(C)C)CCC1 ZINC001336785565 977960257 /nfs/dbraw/zinc/96/02/57/977960257.db2.gz QOAJFSHNQXDIPK-UHFFFAOYSA-N 1 2 243.347 1.875 20 0 BDADLO COCc1cccc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC001232252153 977979384 /nfs/dbraw/zinc/97/93/84/977979384.db2.gz OMIIDAJQXMTAIZ-SNVBAGLBSA-N 1 2 224.279 1.772 20 0 BDADLO COCc1cccc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC001232252153 977979393 /nfs/dbraw/zinc/97/93/93/977979393.db2.gz OMIIDAJQXMTAIZ-SNVBAGLBSA-N 1 2 224.279 1.772 20 0 BDADLO Oc1ccc(C[NH+]2CC(O)C2)c2cccnc12 ZINC001232271312 977986908 /nfs/dbraw/zinc/98/69/08/977986908.db2.gz ALWKTGRXLFKBRF-UHFFFAOYSA-N 1 2 230.267 1.117 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@]2(CCOC2=O)C1 ZINC001336824916 977987595 /nfs/dbraw/zinc/98/75/95/977987595.db2.gz VFWLEVSPMPKNAC-ZDUSSCGKSA-N 1 2 247.298 1.237 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC(=O)CC2)c(C)n1 ZINC001232333229 978007733 /nfs/dbraw/zinc/00/77/33/978007733.db2.gz OFGBEGADFKDYPX-UHFFFAOYSA-N 1 2 248.326 1.954 20 0 BDADLO COc1ccc(C[N@H+]2CCCC(=O)CC2)c(C)n1 ZINC001232333229 978007743 /nfs/dbraw/zinc/00/77/43/978007743.db2.gz OFGBEGADFKDYPX-UHFFFAOYSA-N 1 2 248.326 1.954 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N)nc1C ZINC001232339801 978011464 /nfs/dbraw/zinc/01/14/64/978011464.db2.gz USSFAJUTTMISIC-LLVKDONJSA-N 1 2 249.314 1.110 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N)nc1C ZINC001232339801 978011474 /nfs/dbraw/zinc/01/14/74/978011474.db2.gz USSFAJUTTMISIC-LLVKDONJSA-N 1 2 249.314 1.110 20 0 BDADLO CSc1cc(C)c(C[N@H+](C)C2COC2)cn1 ZINC001232345721 978025518 /nfs/dbraw/zinc/02/55/18/978025518.db2.gz HYUNZDLYXFRCNR-UHFFFAOYSA-N 1 2 238.356 1.943 20 0 BDADLO CSc1cc(C)c(C[N@@H+](C)C2COC2)cn1 ZINC001232345721 978025525 /nfs/dbraw/zinc/02/55/25/978025525.db2.gz HYUNZDLYXFRCNR-UHFFFAOYSA-N 1 2 238.356 1.943 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@@H+]1CCCC12COC2 ZINC001232426447 978067172 /nfs/dbraw/zinc/06/71/72/978067172.db2.gz JMGBELNOVUFWKE-UHFFFAOYSA-N 1 2 233.315 1.263 20 0 BDADLO C(c1[nH]nc2c1CCC2)[N@H+]1CCCC12COC2 ZINC001232426447 978067183 /nfs/dbraw/zinc/06/71/83/978067183.db2.gz JMGBELNOVUFWKE-UHFFFAOYSA-N 1 2 233.315 1.263 20 0 BDADLO C[C@@H]1C[N@H+](Cc2[nH]nc3c2CCC3)[C@@H](C)CO1 ZINC001232430243 978070193 /nfs/dbraw/zinc/07/01/93/978070193.db2.gz SWTCXDUQYJGHKJ-VHSXEESVSA-N 1 2 235.331 1.508 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2[nH]nc3c2CCC3)[C@@H](C)CO1 ZINC001232430243 978070207 /nfs/dbraw/zinc/07/02/07/978070207.db2.gz SWTCXDUQYJGHKJ-VHSXEESVSA-N 1 2 235.331 1.508 20 0 BDADLO COC(=O)[C@@]1(C)CCCN1Cc1c[nH+]c(C)[nH]1 ZINC001232459866 978082420 /nfs/dbraw/zinc/08/24/20/978082420.db2.gz IYGNCTNYPMBYKV-GFCCVEGCSA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)[C@@]1(C)CCCN1Cc1c[nH]c(C)[nH+]1 ZINC001232459866 978082426 /nfs/dbraw/zinc/08/24/26/978082426.db2.gz IYGNCTNYPMBYKV-GFCCVEGCSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)[C@H](C)C2)c[nH+]1 ZINC001232458709 978085984 /nfs/dbraw/zinc/08/59/84/978085984.db2.gz RRGKHSVQLZAJEV-MRVPVSSYSA-N 1 2 207.277 1.129 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)[C@H](C)C2)[nH+]1 ZINC001232458709 978085998 /nfs/dbraw/zinc/08/59/98/978085998.db2.gz RRGKHSVQLZAJEV-MRVPVSSYSA-N 1 2 207.277 1.129 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1cnc(C)[nH]1 ZINC001232463462 978111619 /nfs/dbraw/zinc/11/16/19/978111619.db2.gz JFPUFAYGCVDVAZ-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCOC(=O)CC[N@H+](C)Cc1c[nH]c(C)n1 ZINC001232463462 978111624 /nfs/dbraw/zinc/11/16/24/978111624.db2.gz JFPUFAYGCVDVAZ-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CCOC(=O)CC[N@@H+](C)Cc1c[nH]c(C)n1 ZINC001232463462 978111636 /nfs/dbraw/zinc/11/16/36/978111636.db2.gz JFPUFAYGCVDVAZ-UHFFFAOYSA-N 1 2 225.292 1.103 20 0 BDADLO CC(=O)CC1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC001595684694 978129133 /nfs/dbraw/zinc/12/91/33/978129133.db2.gz NUWRZJGUAZHZJX-UHFFFAOYSA-N 1 2 249.314 1.149 20 0 BDADLO C=C/C=C\CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001595835807 978145237 /nfs/dbraw/zinc/14/52/37/978145237.db2.gz YLCMRSXBFQGMBM-WYGGZMRJSA-N 1 2 219.288 1.520 20 0 BDADLO CCn1ncnc1N(C)CCCn1cc[nH+]c1 ZINC001337074517 978155263 /nfs/dbraw/zinc/15/52/63/978155263.db2.gz VXQKTFZNRNXZIF-UHFFFAOYSA-N 1 2 234.307 1.021 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(F)ccc1N ZINC001232508173 978155642 /nfs/dbraw/zinc/15/56/42/978155642.db2.gz XREGTNFOJCFSEK-UHFFFAOYSA-N 1 2 210.252 1.429 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(F)ccc1N ZINC001232508173 978155647 /nfs/dbraw/zinc/15/56/47/978155647.db2.gz XREGTNFOJCFSEK-UHFFFAOYSA-N 1 2 210.252 1.429 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001232508183 978156280 /nfs/dbraw/zinc/15/62/80/978156280.db2.gz YJGVMGODNIKRHR-QWRGUYRKSA-N 1 2 242.269 1.313 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001232508183 978156285 /nfs/dbraw/zinc/15/62/85/978156285.db2.gz YJGVMGODNIKRHR-QWRGUYRKSA-N 1 2 242.269 1.313 20 0 BDADLO CCN(Cc1cc(F)ccc1N)C1C[NH+](C)C1 ZINC001232514179 978162012 /nfs/dbraw/zinc/16/20/12/978162012.db2.gz ROYAOAPYBYFVKR-UHFFFAOYSA-N 1 2 237.322 1.544 20 0 BDADLO C[N@H+](Cc1cccc(CF)n1)C1(C)COC1 ZINC001232540036 978165537 /nfs/dbraw/zinc/16/55/37/978165537.db2.gz WOFQSQKACCVLKM-UHFFFAOYSA-N 1 2 224.279 1.772 20 0 BDADLO C[N@@H+](Cc1cccc(CF)n1)C1(C)COC1 ZINC001232540036 978165539 /nfs/dbraw/zinc/16/55/39/978165539.db2.gz WOFQSQKACCVLKM-UHFFFAOYSA-N 1 2 224.279 1.772 20 0 BDADLO FCc1cccc(CN2CCn3c[nH+]cc3C2)n1 ZINC001232539858 978167418 /nfs/dbraw/zinc/16/74/18/978167418.db2.gz RUAQNRQYWLEBFW-UHFFFAOYSA-N 1 2 246.289 1.763 20 0 BDADLO CC[C@H](F)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001337113130 978172351 /nfs/dbraw/zinc/17/23/51/978172351.db2.gz DLPZXSDPHNQWBO-ZJUUUORDSA-N 1 2 239.294 1.864 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2nnnn2C)c(C)n1 ZINC001176793170 978177896 /nfs/dbraw/zinc/17/78/96/978177896.db2.gz PDYRBVOXSPQTFJ-SNVBAGLBSA-N 1 2 246.318 1.073 20 0 BDADLO CC(=O)c1ccsc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176827523 978191352 /nfs/dbraw/zinc/19/13/52/978191352.db2.gz LZNDFKULOKLPJU-UHFFFAOYSA-N 1 2 249.295 1.855 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccsc1 ZINC001176826324 978194234 /nfs/dbraw/zinc/19/42/34/978194234.db2.gz NFSLPQLUMSFTHB-UHFFFAOYSA-N 1 2 207.258 1.652 20 0 BDADLO Cc1ccc([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001176836080 978201785 /nfs/dbraw/zinc/20/17/85/978201785.db2.gz AUZDAEOPTWSLAO-JTQLQIEISA-N 1 2 244.298 1.533 20 0 BDADLO CCc1ccc(N2CC[C@H](C(=O)N(C)C)C2)[nH+]c1 ZINC001337190771 978207365 /nfs/dbraw/zinc/20/73/65/978207365.db2.gz HIBFTLSYCCZDIQ-LBPRGKRZSA-N 1 2 247.342 1.559 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc3cnccc32)CCO1 ZINC001232649082 978207554 /nfs/dbraw/zinc/20/75/54/978207554.db2.gz DDBYJYPGBHBTQQ-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc3cnccc32)CCO1 ZINC001232649082 978207562 /nfs/dbraw/zinc/20/75/62/978207562.db2.gz DDBYJYPGBHBTQQ-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO OCCc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001232778953 978269420 /nfs/dbraw/zinc/26/94/20/978269420.db2.gz ZNQVPCGFMFHMDB-UHFFFAOYSA-N 1 2 233.311 1.196 20 0 BDADLO OCCc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001232778953 978269425 /nfs/dbraw/zinc/26/94/25/978269425.db2.gz ZNQVPCGFMFHMDB-UHFFFAOYSA-N 1 2 233.311 1.196 20 0 BDADLO Cc1cc(C[NH+]2CC(C(N)=O)C2)c(F)cc1F ZINC001232782110 978274350 /nfs/dbraw/zinc/27/43/50/978274350.db2.gz FENYTDUEUJWIHC-UHFFFAOYSA-N 1 2 240.253 1.190 20 0 BDADLO CCCn1cnc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001232797983 978285299 /nfs/dbraw/zinc/28/52/99/978285299.db2.gz SUTPWXVWENDOSW-BETUJISGSA-N 1 2 247.342 1.989 20 0 BDADLO CCCn1cnc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001232797983 978285313 /nfs/dbraw/zinc/28/53/13/978285313.db2.gz SUTPWXVWENDOSW-BETUJISGSA-N 1 2 247.342 1.989 20 0 BDADLO COc1cc(O)cc(C[N@H+](C2CC2)C2COC2)c1 ZINC001232805269 978299915 /nfs/dbraw/zinc/29/99/15/978299915.db2.gz ZPLUDTKPFQABKS-UHFFFAOYSA-N 1 2 249.310 1.764 20 0 BDADLO COc1cc(O)cc(C[N@@H+](C2CC2)C2COC2)c1 ZINC001232805269 978299925 /nfs/dbraw/zinc/29/99/25/978299925.db2.gz ZPLUDTKPFQABKS-UHFFFAOYSA-N 1 2 249.310 1.764 20 0 BDADLO Cc1cc(O)cc(C[N@@H+]2CCN(C)[C@H](C)C2)c1 ZINC001232885864 978328033 /nfs/dbraw/zinc/32/80/33/978328033.db2.gz NHAPUMGGOAGRNR-GFCCVEGCSA-N 1 2 234.343 1.837 20 0 BDADLO Cc1cc(O)cc(C[N@H+]2CCN(C)[C@H](C)C2)c1 ZINC001232885864 978328040 /nfs/dbraw/zinc/32/80/40/978328040.db2.gz NHAPUMGGOAGRNR-GFCCVEGCSA-N 1 2 234.343 1.837 20 0 BDADLO Oc1c(F)ccc(C[N@H+]2CCC[C@@H](O)C2)c1F ZINC001232932998 978339293 /nfs/dbraw/zinc/33/92/93/978339293.db2.gz CXDYXOUSEZTZSX-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1c(F)ccc(C[N@@H+]2CCC[C@@H](O)C2)c1F ZINC001232932998 978339309 /nfs/dbraw/zinc/33/93/09/978339309.db2.gz CXDYXOUSEZTZSX-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)c(O)c2F)C[C@H]1O ZINC001232932009 978341745 /nfs/dbraw/zinc/34/17/45/978341745.db2.gz VMHACMCHSUHCPQ-OIBJUYFYSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(O)c2F)C[C@H]1O ZINC001232932009 978341753 /nfs/dbraw/zinc/34/17/53/978341753.db2.gz VMHACMCHSUHCPQ-OIBJUYFYSA-N 1 2 243.253 1.483 20 0 BDADLO CC(C)N(C)C(=O)CN(C)c1cccc[nH+]1 ZINC001177408326 978350139 /nfs/dbraw/zinc/35/01/39/978350139.db2.gz CARHVLLOELNPHL-UHFFFAOYSA-N 1 2 221.304 1.385 20 0 BDADLO CN(CC(=O)N(C)C(C)(C)C)c1cccc[nH+]1 ZINC001177410128 978352647 /nfs/dbraw/zinc/35/26/47/978352647.db2.gz GCSABCOQOJIRSY-UHFFFAOYSA-N 1 2 235.331 1.775 20 0 BDADLO CC[C@H](F)C(=O)Nc1c(C)c[nH+]cc1C ZINC001337508903 978380108 /nfs/dbraw/zinc/38/01/08/978380108.db2.gz IUPUZLSXGQEEEU-VIFPVBQESA-N 1 2 210.252 1.807 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@]23CCOC3)c1F ZINC001233054208 978445105 /nfs/dbraw/zinc/44/51/05/978445105.db2.gz FXDAREWITLJTTO-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@]23CCOC3)c1F ZINC001233054208 978445112 /nfs/dbraw/zinc/44/51/12/978445112.db2.gz FXDAREWITLJTTO-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO COC[C@H]1CC[N@H+](Cc2nc3ccccn3n2)C1 ZINC001233069340 978453813 /nfs/dbraw/zinc/45/38/13/978453813.db2.gz RXSRCLPDQLTXDD-NSHDSACASA-N 1 2 246.314 1.198 20 0 BDADLO COC[C@H]1CC[N@@H+](Cc2nc3ccccn3n2)C1 ZINC001233069340 978453817 /nfs/dbraw/zinc/45/38/17/978453817.db2.gz RXSRCLPDQLTXDD-NSHDSACASA-N 1 2 246.314 1.198 20 0 BDADLO C[N@H+](Cc1nc2ccccn2n1)CC1(C)COC1 ZINC001233071463 978461368 /nfs/dbraw/zinc/46/13/68/978461368.db2.gz YUVUTLHVODAVQC-UHFFFAOYSA-N 1 2 246.314 1.198 20 0 BDADLO C[N@@H+](Cc1nc2ccccn2n1)CC1(C)COC1 ZINC001233071463 978461377 /nfs/dbraw/zinc/46/13/77/978461377.db2.gz YUVUTLHVODAVQC-UHFFFAOYSA-N 1 2 246.314 1.198 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c1 ZINC001233192316 978489174 /nfs/dbraw/zinc/48/91/74/978489174.db2.gz YOPAFJRDOBVBGS-QWRGUYRKSA-N 1 2 242.269 1.978 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@H+]2C[C@@H](F)C[C@H]2CF)c1 ZINC001233192316 978489178 /nfs/dbraw/zinc/48/91/78/978489178.db2.gz YOPAFJRDOBVBGS-QWRGUYRKSA-N 1 2 242.269 1.978 20 0 BDADLO Cc1ncc(NC(=O)CCc2[nH]cc[nH+]2)nc1C ZINC001177993745 978492778 /nfs/dbraw/zinc/49/27/78/978492778.db2.gz QKLUXPHONJIETI-UHFFFAOYSA-N 1 2 245.286 1.388 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccncc1 ZINC001177989757 978493105 /nfs/dbraw/zinc/49/31/05/978493105.db2.gz AMIBQUGMDDCUMF-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CC(C)N(C(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC001177989981 978495490 /nfs/dbraw/zinc/49/54/90/978495490.db2.gz FJWDSPKNYLXLHD-UHFFFAOYSA-N 1 2 223.320 1.988 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cc(C)c[nH]c1=O ZINC001233198144 978495937 /nfs/dbraw/zinc/49/59/37/978495937.db2.gz NUSKTISVZGZMAB-UHFFFAOYSA-N 1 2 238.287 1.091 20 0 BDADLO COC1C[NH+](Cc2cccc3c2CCO3)C1 ZINC001233273462 978520324 /nfs/dbraw/zinc/52/03/24/978520324.db2.gz DGOMUUDCDGOHLQ-UHFFFAOYSA-N 1 2 219.284 1.452 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc2c1CCO2 ZINC001233278018 978530621 /nfs/dbraw/zinc/53/06/21/978530621.db2.gz ANSCPVAYGCYMCW-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc2c1CCO2 ZINC001233278018 978530631 /nfs/dbraw/zinc/53/06/31/978530631.db2.gz ANSCPVAYGCYMCW-UHFFFAOYSA-N 1 2 249.310 1.616 20 0 BDADLO Cc1cncc(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC001337882747 978547265 /nfs/dbraw/zinc/54/72/65/978547265.db2.gz DBRNLIXXGKKMHD-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](n3cncn3)C2)[nH+]1 ZINC001337938636 978571193 /nfs/dbraw/zinc/57/11/93/978571193.db2.gz IDASZSKEMQJUQP-LLVKDONJSA-N 1 2 247.277 1.572 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)o1 ZINC001233364784 978572816 /nfs/dbraw/zinc/57/28/16/978572816.db2.gz CBTXOZCGUXGZNJ-ZJUUUORDSA-N 1 2 228.267 1.135 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)o1 ZINC001233364784 978572821 /nfs/dbraw/zinc/57/28/21/978572821.db2.gz CBTXOZCGUXGZNJ-ZJUUUORDSA-N 1 2 228.267 1.135 20 0 BDADLO CCN(Cc1cnc(C)o1)C1C[NH+](C)C1 ZINC001233368008 978581061 /nfs/dbraw/zinc/58/10/61/978581061.db2.gz RDXDADHMXAZFRI-UHFFFAOYSA-N 1 2 209.293 1.119 20 0 BDADLO CC[N@H+](Cc1cnc(C)o1)C1CN(C)C1 ZINC001233368008 978581069 /nfs/dbraw/zinc/58/10/69/978581069.db2.gz RDXDADHMXAZFRI-UHFFFAOYSA-N 1 2 209.293 1.119 20 0 BDADLO CC[N@@H+](Cc1cnc(C)o1)C1CN(C)C1 ZINC001233368008 978581076 /nfs/dbraw/zinc/58/10/76/978581076.db2.gz RDXDADHMXAZFRI-UHFFFAOYSA-N 1 2 209.293 1.119 20 0 BDADLO C[C@@]1(F)CCN(Cc2cccc(N)[nH+]2)C[C@@H]1F ZINC001233369565 978582841 /nfs/dbraw/zinc/58/28/41/978582841.db2.gz TZZNVBUQXAOUNW-CMPLNLGQSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2cccc(N)n2)C[C@@H]1F ZINC001233369565 978582847 /nfs/dbraw/zinc/58/28/47/978582847.db2.gz TZZNVBUQXAOUNW-CMPLNLGQSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(N)n2)C[C@@H]1F ZINC001233369565 978582852 /nfs/dbraw/zinc/58/28/52/978582852.db2.gz TZZNVBUQXAOUNW-CMPLNLGQSA-N 1 2 241.285 1.936 20 0 BDADLO CCN(CCSC)c1cc(N)nc[nH+]1 ZINC001338029632 978593754 /nfs/dbraw/zinc/59/37/54/978593754.db2.gz TXFWBDRYUVHJGL-UHFFFAOYSA-N 1 2 212.322 1.248 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](O)C(F)(F)C2)[nH+]1 ZINC001338049831 978600766 /nfs/dbraw/zinc/60/07/66/978600766.db2.gz YIGTUSRQADGAFC-VIFPVBQESA-N 1 2 246.232 1.735 20 0 BDADLO CC(C)(C)c1coc(CNc2cc(N)nc[nH+]2)n1 ZINC001338114922 978614685 /nfs/dbraw/zinc/61/46/85/978614685.db2.gz IWBACJDLVNTNJQ-UHFFFAOYSA-N 1 2 247.302 1.956 20 0 BDADLO C[S@](=O)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC001338274394 978650471 /nfs/dbraw/zinc/65/04/71/978650471.db2.gz OYXXMMZJIXVPGY-KRWDZBQOSA-N 1 2 249.339 1.437 20 0 BDADLO CC[C@@H](F)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179095101 978667848 /nfs/dbraw/zinc/66/78/48/978667848.db2.gz GXAQXKVKASCKOO-SECBINFHSA-N 1 2 227.283 1.897 20 0 BDADLO CC[C@@H](F)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179095101 978667851 /nfs/dbraw/zinc/66/78/51/978667851.db2.gz GXAQXKVKASCKOO-SECBINFHSA-N 1 2 227.283 1.897 20 0 BDADLO CC(C)Cc1cnn(CC[NH+]2CCOCC2)c1 ZINC001249925866 978681878 /nfs/dbraw/zinc/68/18/78/978681878.db2.gz VHRPNRHUBQNFLY-UHFFFAOYSA-N 1 2 237.347 1.414 20 0 BDADLO c1cc(C[NH+]2CCN(c3cncnc3)CC2)co1 ZINC001204244325 978704188 /nfs/dbraw/zinc/70/41/88/978704188.db2.gz YLLSCDQVZKNBCK-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2cc(O)cc(F)c2)C1 ZINC001233817204 978704243 /nfs/dbraw/zinc/70/42/43/978704243.db2.gz NXOGNKOPQQNKQB-LBPRGKRZSA-N 1 2 241.262 1.241 20 0 BDADLO C[N@H+]1CCO[C@H](COc2cc(O)cc(F)c2)C1 ZINC001233817204 978704250 /nfs/dbraw/zinc/70/42/50/978704250.db2.gz NXOGNKOPQQNKQB-LBPRGKRZSA-N 1 2 241.262 1.241 20 0 BDADLO C[C@H](CC(F)(F)F)C(=O)NC1C[NH+](C)C1 ZINC001179869011 978785692 /nfs/dbraw/zinc/78/56/92/978785692.db2.gz ULRLMPZLHGFYCR-ZCFIWIBFSA-N 1 2 224.226 1.005 20 0 BDADLO [NH3+]CC[N@H+](CC(=O)[O-])Cc1cccc(Cl)c1 ZINC001601189880 978791185 /nfs/dbraw/zinc/79/11/85/978791185.db2.gz STMSQZKHLAHQCW-UHFFFAOYSA-N 1 2 242.706 1.185 20 0 BDADLO [NH3+]CC[N@@H+](CC(=O)[O-])Cc1cccc(Cl)c1 ZINC001601189880 978791191 /nfs/dbraw/zinc/79/11/91/978791191.db2.gz STMSQZKHLAHQCW-UHFFFAOYSA-N 1 2 242.706 1.185 20 0 BDADLO O=C([O-])C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC001601905719 978862340 /nfs/dbraw/zinc/86/23/40/978862340.db2.gz DMCGGVZZJBRPKY-LLVKDONJSA-N 1 2 237.303 1.116 20 0 BDADLO CC[C@@H]1C(=O)NCCN1c1cc(F)cc(C)[nH+]1 ZINC001339609182 978878648 /nfs/dbraw/zinc/87/86/48/978878648.db2.gz HFGKCHJREQBSEA-SNVBAGLBSA-N 1 2 237.278 1.244 20 0 BDADLO Oc1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC001339611000 978879245 /nfs/dbraw/zinc/87/92/45/978879245.db2.gz VUZBEPCEGOLGRQ-UHFFFAOYSA-N 1 2 245.286 1.289 20 0 BDADLO CC(=O)[C@H](C)[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001277888734 978904687 /nfs/dbraw/zinc/90/46/87/978904687.db2.gz LTANNCRYAUYIAJ-NSHDSACASA-N 1 2 247.342 1.110 20 0 BDADLO CCc1ccc(N(C)C[C@H]2COCCO2)[nH+]c1 ZINC001339773603 978908615 /nfs/dbraw/zinc/90/86/15/978908615.db2.gz KVBJKKKPKZXKKC-LBPRGKRZSA-N 1 2 236.315 1.496 20 0 BDADLO CC(C)COCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001180747253 978932670 /nfs/dbraw/zinc/93/26/70/978932670.db2.gz FMOPNQNQNATQQT-UHFFFAOYSA-N 1 2 248.326 1.603 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2ncc(F)cn2)C1 ZINC001234997875 978945155 /nfs/dbraw/zinc/94/51/55/978945155.db2.gz CODXFFIXEHNPNS-SECBINFHSA-N 1 2 209.268 1.848 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2ncc(F)cn2)C1 ZINC001234997875 978945160 /nfs/dbraw/zinc/94/51/60/978945160.db2.gz CODXFFIXEHNPNS-SECBINFHSA-N 1 2 209.268 1.848 20 0 BDADLO Fc1cnc(C[NH+]2CCC3(COC3)CC2)nc1 ZINC001234998552 978946321 /nfs/dbraw/zinc/94/63/21/978946321.db2.gz GQWSGQBDYJWXOR-UHFFFAOYSA-N 1 2 237.278 1.228 20 0 BDADLO CC[N@H+](CCn1cccn1)Cc1ncc(F)cn1 ZINC001235018779 978956371 /nfs/dbraw/zinc/95/63/71/978956371.db2.gz RDRYDEUJNQOKSU-UHFFFAOYSA-N 1 2 249.293 1.334 20 0 BDADLO CC[N@@H+](CCn1cccn1)Cc1ncc(F)cn1 ZINC001235018779 978956374 /nfs/dbraw/zinc/95/63/74/978956374.db2.gz RDRYDEUJNQOKSU-UHFFFAOYSA-N 1 2 249.293 1.334 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC001181206374 979013434 /nfs/dbraw/zinc/01/34/34/979013434.db2.gz RTDGIFVONBFOOD-MWLCHTKSSA-N 1 2 215.293 1.097 20 0 BDADLO CCc1cccc(C[N@@H+]2CCC3(C2)OCCO3)n1 ZINC001235259973 979015245 /nfs/dbraw/zinc/01/52/45/979015245.db2.gz ZURYLHHUCFOJSJ-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO CCc1cccc(C[N@H+]2CCC3(C2)OCCO3)n1 ZINC001235259973 979015249 /nfs/dbraw/zinc/01/52/49/979015249.db2.gz ZURYLHHUCFOJSJ-UHFFFAOYSA-N 1 2 248.326 1.593 20 0 BDADLO CC1(C)C[C@@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001181303393 979042659 /nfs/dbraw/zinc/04/26/59/979042659.db2.gz KCFUCLRHQBULRQ-LLVKDONJSA-N 1 2 234.299 1.623 20 0 BDADLO COC(=O)CC(C)(C)[N@H+](C)Cc1nncs1 ZINC001340678449 979062722 /nfs/dbraw/zinc/06/27/22/979062722.db2.gz LDTFSNMQPNTSRM-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO COC(=O)CC(C)(C)[N@@H+](C)Cc1nncs1 ZINC001340678449 979062732 /nfs/dbraw/zinc/06/27/32/979062732.db2.gz LDTFSNMQPNTSRM-UHFFFAOYSA-N 1 2 243.332 1.312 20 0 BDADLO Cc1[nH+]cn(C)c1CN1C[C@@H](F)[C@H](F)C1 ZINC001235535985 979069334 /nfs/dbraw/zinc/06/93/34/979069334.db2.gz CYTXYLQEVFYZOT-RKDXNWHRSA-N 1 2 215.247 1.220 20 0 BDADLO O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC001602173601 979076027 /nfs/dbraw/zinc/07/60/27/979076027.db2.gz QXZVYSRRLZGQNS-MNOVXSKESA-N 1 2 237.303 1.116 20 0 BDADLO Cc1[nH+]cn(C)c1CN1C[C@@H](F)C[C@H]1CF ZINC001235538021 979080960 /nfs/dbraw/zinc/08/09/60/979080960.db2.gz KCPDKMZTKGQBMN-UWVGGRQHSA-N 1 2 229.274 1.610 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCOCC[C@H]1C ZINC001340802808 979112776 /nfs/dbraw/zinc/11/27/76/979112776.db2.gz MOYNVJHPUBXANQ-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCOCC[C@H]1C ZINC001340802808 979112781 /nfs/dbraw/zinc/11/27/81/979112781.db2.gz MOYNVJHPUBXANQ-SNVBAGLBSA-N 1 2 215.293 1.049 20 0 BDADLO OCC[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001235735305 979139455 /nfs/dbraw/zinc/13/94/55/979139455.db2.gz MNXRAOJVSDZBDF-UHFFFAOYSA-N 1 2 212.680 1.085 20 0 BDADLO OCC[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001235735305 979139458 /nfs/dbraw/zinc/13/94/58/979139458.db2.gz MNXRAOJVSDZBDF-UHFFFAOYSA-N 1 2 212.680 1.085 20 0 BDADLO [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980691 979254043 /nfs/dbraw/zinc/25/40/43/979254043.db2.gz NEVQBVOSIVHWSO-GXTWGEPZSA-N 1 2 246.310 1.308 20 0 BDADLO [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC001235980691 979254053 /nfs/dbraw/zinc/25/40/53/979254053.db2.gz NEVQBVOSIVHWSO-GXTWGEPZSA-N 1 2 246.310 1.308 20 0 BDADLO Cc1ccc(Nc2ncccc2C(N)=O)c(C)[nH+]1 ZINC001203367755 979256836 /nfs/dbraw/zinc/25/68/36/979256836.db2.gz OQTGAMVVFRGZTH-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1cncc(CNC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001341258094 979297529 /nfs/dbraw/zinc/29/75/29/979297529.db2.gz OIHNXKRHESOAFL-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO COc1cc(F)c(C[N@H+](C)CCO)c(F)c1 ZINC001236255261 979458905 /nfs/dbraw/zinc/45/89/05/979458905.db2.gz KENGDFNMCYWHIK-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO COc1cc(F)c(C[N@@H+](C)CCO)c(F)c1 ZINC001236255261 979458912 /nfs/dbraw/zinc/45/89/12/979458912.db2.gz KENGDFNMCYWHIK-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO C[N@H+](CCO)Cc1cc(Cl)cnc1Cl ZINC001236254594 979472123 /nfs/dbraw/zinc/47/21/23/979472123.db2.gz BJNBTQHPMWJJON-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@@H+](CCO)Cc1cc(Cl)cnc1Cl ZINC001236254594 979472132 /nfs/dbraw/zinc/47/21/32/979472132.db2.gz BJNBTQHPMWJJON-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO CCOc1cc(C[N@H+](C)CCO)c(Cl)cn1 ZINC001236258830 979476705 /nfs/dbraw/zinc/47/67/05/979476705.db2.gz IORWMADZLQTLCV-UHFFFAOYSA-N 1 2 244.722 1.558 20 0 BDADLO COc1cnc(C[N@H+](C)CCO)c(Cl)c1 ZINC001236259529 979482840 /nfs/dbraw/zinc/48/28/40/979482840.db2.gz XXUKDBCDUNDJLJ-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO COc1cnc(C[N@@H+](C)CCO)c(Cl)c1 ZINC001236259529 979482845 /nfs/dbraw/zinc/48/28/45/979482845.db2.gz XXUKDBCDUNDJLJ-UHFFFAOYSA-N 1 2 230.695 1.168 20 0 BDADLO Cc1cc(Cc2nnc(C[NH+](C)C)o2)no1 ZINC001341626884 979496216 /nfs/dbraw/zinc/49/62/16/979496216.db2.gz KIMWWLYZLLBLIZ-UHFFFAOYSA-N 1 2 222.248 1.018 20 0 BDADLO Nc1ccc(-c2cccc3c2CCNC3=O)c[nH+]1 ZINC001236313640 979520220 /nfs/dbraw/zinc/52/02/20/979520220.db2.gz SGXKTBRVNFZSEB-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO Cc1cc(C(N)=O)ccc1-c1ccc(N)[nH+]c1 ZINC001236316691 979527831 /nfs/dbraw/zinc/52/78/31/979527831.db2.gz PBNBCIXWOQQVPS-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCC1 ZINC001341707885 979529078 /nfs/dbraw/zinc/52/90/78/979529078.db2.gz FLNVNNIOCDMPLW-LLVKDONJSA-N 1 2 249.362 1.572 20 0 BDADLO Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCC1 ZINC001341707885 979529083 /nfs/dbraw/zinc/52/90/83/979529083.db2.gz FLNVNNIOCDMPLW-LLVKDONJSA-N 1 2 249.362 1.572 20 0 BDADLO COc1ccc(-c2c[nH+]cn2C)c2c[nH]nc21 ZINC001236462005 979603978 /nfs/dbraw/zinc/60/39/78/979603978.db2.gz MIYNTAGBWPVWBY-UHFFFAOYSA-N 1 2 228.255 1.972 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ncccc1N ZINC001182829739 979654060 /nfs/dbraw/zinc/65/40/60/979654060.db2.gz FVVDGHYAVKLODA-JTQLQIEISA-N 1 2 234.303 1.085 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ncccc1N ZINC001182829739 979654072 /nfs/dbraw/zinc/65/40/72/979654072.db2.gz FVVDGHYAVKLODA-JTQLQIEISA-N 1 2 234.303 1.085 20 0 BDADLO Cc1cc(-c2cncc(O)c2)c[nH+]c1N ZINC001236583169 979662851 /nfs/dbraw/zinc/66/28/51/979662851.db2.gz OVTJZCWOVHYCAI-UHFFFAOYSA-N 1 2 201.229 1.740 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCc3c(cnn3C)C2)o1 ZINC001236597943 979671423 /nfs/dbraw/zinc/67/14/23/979671423.db2.gz VEGQCPZCNZSQNB-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCc3c(cnn3C)C2)o1 ZINC001236597943 979671427 /nfs/dbraw/zinc/67/14/27/979671427.db2.gz VEGQCPZCNZSQNB-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO COC(=O)CC[N@H+](C)Cc1nccnc1Cl ZINC001236624071 979684972 /nfs/dbraw/zinc/68/49/72/979684972.db2.gz IIEVWKJQCNGQAT-UHFFFAOYSA-N 1 2 243.694 1.125 20 0 BDADLO COC(=O)CC[N@@H+](C)Cc1nccnc1Cl ZINC001236624071 979684975 /nfs/dbraw/zinc/68/49/75/979684975.db2.gz IIEVWKJQCNGQAT-UHFFFAOYSA-N 1 2 243.694 1.125 20 0 BDADLO C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC001604706071 979705220 /nfs/dbraw/zinc/70/52/20/979705220.db2.gz JRDGNZYSNNDOKY-GWCFXTLKSA-N 1 2 248.326 1.615 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cccc3occc32)C1 ZINC001236740983 979725011 /nfs/dbraw/zinc/72/50/11/979725011.db2.gz SBZLFODDYUBOJY-UHFFFAOYSA-N 1 2 244.294 1.753 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1c(F)ccc(N)c1F ZINC001237109365 979818684 /nfs/dbraw/zinc/81/86/84/979818684.db2.gz YQBGOCGFTXFUBK-QMMMGPOBSA-N 1 2 242.269 1.768 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1c(F)ccc(N)c1F ZINC001237109365 979818690 /nfs/dbraw/zinc/81/86/90/979818690.db2.gz YQBGOCGFTXFUBK-QMMMGPOBSA-N 1 2 242.269 1.768 20 0 BDADLO CC(C)[C@H](C(=O)NC1C[NH+](C)C1)c1ccccc1 ZINC001183577682 979850881 /nfs/dbraw/zinc/85/08/81/979850881.db2.gz FSYCOLYKJWYOIL-AWEZNQCLSA-N 1 2 246.354 1.856 20 0 BDADLO O=C(N[C@@H]1C[C@H]1F)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183752299 979881047 /nfs/dbraw/zinc/88/10/47/979881047.db2.gz HDFIIYGJLUHUPT-JHJVBQTASA-N 1 2 248.301 1.488 20 0 BDADLO O=C(N[C@@H]1C[C@H]1F)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183752299 979881053 /nfs/dbraw/zinc/88/10/53/979881053.db2.gz HDFIIYGJLUHUPT-JHJVBQTASA-N 1 2 248.301 1.488 20 0 BDADLO C[N@H+](Cc1cc2ccccn2n1)[C@@H]1CCOC1 ZINC001237445372 979888987 /nfs/dbraw/zinc/88/89/87/979888987.db2.gz GUJLCUXMSCZREG-CYBMUJFWSA-N 1 2 231.299 1.555 20 0 BDADLO C[N@@H+](Cc1cc2ccccn2n1)[C@@H]1CCOC1 ZINC001237445372 979888990 /nfs/dbraw/zinc/88/89/90/979888990.db2.gz GUJLCUXMSCZREG-CYBMUJFWSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1CC[N@@H+]1Cc1cc2ccccn2n1 ZINC001237438890 979891801 /nfs/dbraw/zinc/89/18/01/979891801.db2.gz MXEWICGENKITCL-JTQLQIEISA-N 1 2 201.273 1.929 20 0 BDADLO C[C@H]1CC[N@H+]1Cc1cc2ccccn2n1 ZINC001237438890 979891804 /nfs/dbraw/zinc/89/18/04/979891804.db2.gz MXEWICGENKITCL-JTQLQIEISA-N 1 2 201.273 1.929 20 0 BDADLO CC(C)[C@H](C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183929588 979909073 /nfs/dbraw/zinc/90/90/73/979909073.db2.gz PNFKJJVHLCXOHR-JTQLQIEISA-N 1 2 235.331 1.757 20 0 BDADLO Cc1nc[nH]c1C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC001342874514 979925176 /nfs/dbraw/zinc/92/51/76/979925176.db2.gz PCONGWWRLJCVAT-MRVPVSSYSA-N 1 2 248.286 1.469 20 0 BDADLO CCn1c[nH+]cc1CN1Cc2cncnc2C1 ZINC001237588768 979947329 /nfs/dbraw/zinc/94/73/29/979947329.db2.gz XFJDEVCNEBVRPD-UHFFFAOYSA-N 1 2 229.287 1.209 20 0 BDADLO CCn1c[nH+]cc1CN1CCc2oc(C)nc2C1 ZINC001237592254 979948620 /nfs/dbraw/zinc/94/86/20/979948620.db2.gz FIHSKLJXVFTDEY-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC[C@H]1C(C)C ZINC001237596496 979951616 /nfs/dbraw/zinc/95/16/16/979951616.db2.gz GRXNNHNCCYFRHG-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC[C@H]1C(C)C ZINC001237596496 979951624 /nfs/dbraw/zinc/95/16/24/979951624.db2.gz GRXNNHNCCYFRHG-ZDUSSCGKSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)[N@H+](Cc1nnc[nH]1)C1CCOCC1 ZINC001237605078 979966887 /nfs/dbraw/zinc/96/68/87/979966887.db2.gz VLWYLVMNSBVJCF-UHFFFAOYSA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)[N@@H+](Cc1nnc[nH]1)C1CCOCC1 ZINC001237605078 979966896 /nfs/dbraw/zinc/96/68/96/979966896.db2.gz VLWYLVMNSBVJCF-UHFFFAOYSA-N 1 2 224.308 1.194 20 0 BDADLO C[N@H+](Cc1cccc(C(=O)[O-])c1)C1(C[NH3+])CCC1 ZINC001606165951 979969022 /nfs/dbraw/zinc/96/90/22/979969022.db2.gz KHSLRMMTVJAPPC-UHFFFAOYSA-N 1 2 248.326 1.698 20 0 BDADLO C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1(C[NH3+])CCC1 ZINC001606165951 979969027 /nfs/dbraw/zinc/96/90/27/979969027.db2.gz KHSLRMMTVJAPPC-UHFFFAOYSA-N 1 2 248.326 1.698 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2nc(C)co2)C1 ZINC001237648840 979978725 /nfs/dbraw/zinc/97/87/25/979978725.db2.gz JVBFETCFUMDYHK-LLVKDONJSA-N 1 2 222.288 1.784 20 0 BDADLO CC[C@@](C)(O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184255684 979981822 /nfs/dbraw/zinc/98/18/22/979981822.db2.gz IVYJUSZBUWGLON-CYBMUJFWSA-N 1 2 247.298 1.824 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001237637123 979990343 /nfs/dbraw/zinc/99/03/43/979990343.db2.gz DUDDXIYKYHNMPV-RYUDHWBXSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001237637123 979990350 /nfs/dbraw/zinc/99/03/50/979990350.db2.gz DUDDXIYKYHNMPV-RYUDHWBXSA-N 1 2 236.315 1.984 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237644939 979992717 /nfs/dbraw/zinc/99/27/17/979992717.db2.gz BMZSFDBJRBGWLE-MFKMUULPSA-N 1 2 235.331 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237644939 979992723 /nfs/dbraw/zinc/99/27/23/979992723.db2.gz BMZSFDBJRBGWLE-MFKMUULPSA-N 1 2 235.331 1.583 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2nc(C)co2)C1 ZINC001237643399 979994925 /nfs/dbraw/zinc/99/49/25/979994925.db2.gz PLLWLSGPBJTJCI-SNVBAGLBSA-N 1 2 208.261 1.394 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)co2)C1 ZINC001237643399 979994930 /nfs/dbraw/zinc/99/49/30/979994930.db2.gz PLLWLSGPBJTJCI-SNVBAGLBSA-N 1 2 208.261 1.394 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CC(C2COC2)C1 ZINC001237648901 980006229 /nfs/dbraw/zinc/00/62/29/980006229.db2.gz FYPCBIVRJVZFGA-UHFFFAOYSA-N 1 2 221.304 1.050 20 0 BDADLO CCc1[nH]ncc1CN(CC)CC[NH+](C)C ZINC001237652339 980011514 /nfs/dbraw/zinc/01/15/14/980011514.db2.gz SCDOHTGRVZYKAL-UHFFFAOYSA-N 1 2 224.352 1.356 20 0 BDADLO Cc1cc(C[NH+]2CC(O)C2)ccc1OC(C)C ZINC001237712269 980034309 /nfs/dbraw/zinc/03/43/09/980034309.db2.gz AYNYHXHEFZHGLU-UHFFFAOYSA-N 1 2 235.327 1.959 20 0 BDADLO c1cc2c(c(C[NH+]3CC4(C3)CCCO4)c1)OCC2 ZINC001237744853 980043427 /nfs/dbraw/zinc/04/34/27/980043427.db2.gz IDZCNVGCOODPEM-UHFFFAOYSA-N 1 2 245.322 1.986 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)nc1 ZINC001237800508 980048828 /nfs/dbraw/zinc/04/88/28/980048828.db2.gz KRRADRDKXFMBSM-GHMZBOCLSA-N 1 2 239.294 1.080 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)nc1 ZINC001237800508 980048837 /nfs/dbraw/zinc/04/88/37/980048837.db2.gz KRRADRDKXFMBSM-GHMZBOCLSA-N 1 2 239.294 1.080 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001238091641 980141451 /nfs/dbraw/zinc/14/14/51/980141451.db2.gz AYKUQLVETKXJGL-CHWSQXEVSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001238091641 980141455 /nfs/dbraw/zinc/14/14/55/980141455.db2.gz AYKUQLVETKXJGL-CHWSQXEVSA-N 1 2 239.290 1.605 20 0 BDADLO Nc1ccnc(F)c1C[NH+]1CC2(CCC2)C1 ZINC001238150641 980175783 /nfs/dbraw/zinc/17/57/83/980175783.db2.gz USUSPABPRNJYAU-UHFFFAOYSA-N 1 2 221.279 1.789 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2ccc(F)c(F)c2)C1 ZINC001185103508 980176321 /nfs/dbraw/zinc/17/63/21/980176321.db2.gz MDOSSPCDJUMEQJ-UHFFFAOYSA-N 1 2 241.241 1.400 20 0 BDADLO Nc1ccnc(F)c1C[NH+]1CCC(F)CC1 ZINC001238153447 980178540 /nfs/dbraw/zinc/17/85/40/980178540.db2.gz NSICJYSFTOULNY-UHFFFAOYSA-N 1 2 227.258 1.737 20 0 BDADLO CCCOCC(=O)OCCCc1c[nH+]cn1C ZINC001343726543 980222174 /nfs/dbraw/zinc/22/21/74/980222174.db2.gz VKXJIZWMKFLSMI-UHFFFAOYSA-N 1 2 240.303 1.323 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238229283 980230336 /nfs/dbraw/zinc/23/03/36/980230336.db2.gz HQFOCWRCOZVYQV-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2c(F)ccnc2Cl)C1 ZINC001238229283 980230344 /nfs/dbraw/zinc/23/03/44/980230344.db2.gz HQFOCWRCOZVYQV-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ncc(C)cc1C ZINC001238425064 980252736 /nfs/dbraw/zinc/25/27/36/980252736.db2.gz FANFUGGZKMEVHX-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ncc(C)cc1C ZINC001238425064 980252744 /nfs/dbraw/zinc/25/27/44/980252744.db2.gz FANFUGGZKMEVHX-UHFFFAOYSA-N 1 2 235.331 1.266 20 0 BDADLO CCN(Cc1ncc(C)cc1C)C1C[NH+](C)C1 ZINC001238434795 980263928 /nfs/dbraw/zinc/26/39/28/980263928.db2.gz HUMLUQFSTCGLCP-UHFFFAOYSA-N 1 2 233.359 1.834 20 0 BDADLO CC(C)Oc1cncc(C[NH+]2CC3(COC3)C2)c1 ZINC001238462380 980272828 /nfs/dbraw/zinc/27/28/28/980272828.db2.gz MXVIADCKPWCHFN-UHFFFAOYSA-N 1 2 248.326 1.701 20 0 BDADLO Cc1nc(N[C@@H]2CCC3(C2)OCCO3)cc[nH+]1 ZINC001185958504 980306847 /nfs/dbraw/zinc/30/68/47/980306847.db2.gz UFFVSSYHRWCJJW-SNVBAGLBSA-N 1 2 235.287 1.493 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NC/C=C/C2CC2)c1 ZINC001344555810 980424103 /nfs/dbraw/zinc/42/41/03/980424103.db2.gz YPRVZLLDLDKMEN-NSCUHMNNSA-N 1 2 248.330 1.228 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2ncn(C)n2)c1 ZINC001203654439 980476118 /nfs/dbraw/zinc/47/61/18/980476118.db2.gz KBWKKALMVZXGCF-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO CC(C)(COC(=O)Cc1cc[nH]n1)n1cc[nH+]c1 ZINC001345252595 980591175 /nfs/dbraw/zinc/59/11/75/980591175.db2.gz MKTUGLAUUIQGJK-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CCN(C(=O)c1c[nH]c(C)c1)C1C[NH+](C)C1 ZINC001188194834 980617397 /nfs/dbraw/zinc/61/73/97/980617397.db2.gz IKUHKUNBVNURKC-UHFFFAOYSA-N 1 2 221.304 1.099 20 0 BDADLO CSc1ncc(CC[NH+]2CCOCC2)cn1 ZINC001250274987 980632846 /nfs/dbraw/zinc/63/28/46/980632846.db2.gz AJAWNBALDOWNQZ-UHFFFAOYSA-N 1 2 239.344 1.073 20 0 BDADLO FC(F)(F)n1cc(CC[NH+]2CCOCC2)cn1 ZINC001250277703 980651863 /nfs/dbraw/zinc/65/18/63/980651863.db2.gz MHWKVHWHUWGQAJ-UHFFFAOYSA-N 1 2 249.236 1.234 20 0 BDADLO c1cc(CC[NH+]2CCOCC2)cc(OC2CC2)n1 ZINC001250277697 980651873 /nfs/dbraw/zinc/65/18/73/980651873.db2.gz MEODBXZMWGIFCK-UHFFFAOYSA-N 1 2 248.326 1.498 20 0 BDADLO C[C@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001345895766 980704369 /nfs/dbraw/zinc/70/43/69/980704369.db2.gz ZKDXCPWKPBTKJM-WDEREUQCSA-N 1 2 235.331 1.658 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@H]2C=CCC2)o1 ZINC001345942252 980713910 /nfs/dbraw/zinc/71/39/10/980713910.db2.gz ZWDNLMWNPUOPLP-VIFPVBQESA-N 1 2 207.277 1.640 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H](F)C(C)C ZINC001345995848 980726557 /nfs/dbraw/zinc/72/65/57/980726557.db2.gz JKQIGAPLWMQXLC-SNVBAGLBSA-N 1 2 228.267 1.940 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC1(C)C ZINC001346053395 980739409 /nfs/dbraw/zinc/73/94/09/980739409.db2.gz FMROTTZJHFZLBO-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO COc1ncc(CCn2cc[nH+]c2)cc1F ZINC001250316292 980747322 /nfs/dbraw/zinc/74/73/22/980747322.db2.gz HADHHMQCKAFLRX-UHFFFAOYSA-N 1 2 221.235 1.669 20 0 BDADLO C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001346071742 980747759 /nfs/dbraw/zinc/74/77/59/980747759.db2.gz JSZXRHRUDAUDBD-NSHDSACASA-N 1 2 235.331 1.754 20 0 BDADLO CC(=O)NCc1cccc(CCn2cc[nH+]c2)c1 ZINC001250314974 980753336 /nfs/dbraw/zinc/75/33/36/980753336.db2.gz ACOLAVHUWWALRD-UHFFFAOYSA-N 1 2 243.310 1.762 20 0 BDADLO C[S@](=O)c1ccccc1CCn1cc[nH+]c1 ZINC001250316664 980755727 /nfs/dbraw/zinc/75/57/27/980755727.db2.gz RNTUJHAPPLJUIU-INIZCTEOSA-N 1 2 234.324 1.863 20 0 BDADLO OCc1ccc(F)c(CCn2cc[nH+]c2)c1F ZINC001250320161 980760556 /nfs/dbraw/zinc/76/05/56/980760556.db2.gz IMDWAMLOCMBJGY-UHFFFAOYSA-N 1 2 238.237 1.896 20 0 BDADLO CC(C)n1ccc(CCn2cc[nH+]c2)n1 ZINC001250320183 980761982 /nfs/dbraw/zinc/76/19/82/980761982.db2.gz ZKOZWLXZXOLRKZ-UHFFFAOYSA-N 1 2 204.277 1.903 20 0 BDADLO COc1nonc1Nc1ccc2c[nH+]cn2c1 ZINC001250324370 980764159 /nfs/dbraw/zinc/76/41/59/980764159.db2.gz RWPJAHSJDBKFCI-UHFFFAOYSA-N 1 2 231.215 1.470 20 0 BDADLO CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001346376112 980820778 /nfs/dbraw/zinc/82/07/78/980820778.db2.gz MUOAPZOSPMREMG-UHFFFAOYSA-N 1 2 209.293 1.221 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C1CC1 ZINC001346478964 980848994 /nfs/dbraw/zinc/84/89/94/980848994.db2.gz WUZUHSYAQGPUMT-PBKGFPTLSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C1CC1 ZINC001346478964 980848995 /nfs/dbraw/zinc/84/89/95/980848995.db2.gz WUZUHSYAQGPUMT-PBKGFPTLSA-N 1 2 233.315 1.671 20 0 BDADLO CNc1ccc(Cc2cnccn2)c[nH+]1 ZINC001250372843 980872634 /nfs/dbraw/zinc/87/26/34/980872634.db2.gz GGLXNBDRSANIMI-UHFFFAOYSA-N 1 2 200.245 1.504 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CCSC1 ZINC001346746967 980898608 /nfs/dbraw/zinc/89/86/08/980898608.db2.gz JCUFVOKSPUOOST-SECBINFHSA-N 1 2 240.328 1.699 20 0 BDADLO CO[C@H]1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001346823034 980917505 /nfs/dbraw/zinc/91/75/05/980917505.db2.gz LWCLVEWDUPVXLS-NEPJUHHUSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001346871796 980926113 /nfs/dbraw/zinc/92/61/13/980926113.db2.gz XENIBXRUOXFHBN-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO CNc1cc(CNC(=O)N2CC(C)(C)C2)cc[nH+]1 ZINC001347185879 981006783 /nfs/dbraw/zinc/00/67/83/981006783.db2.gz KCETYQKYJGUDPL-UHFFFAOYSA-N 1 2 248.330 1.675 20 0 BDADLO COc1cc[nH+]cc1Cc1ccnn1C ZINC001250437751 981091471 /nfs/dbraw/zinc/09/14/71/981091471.db2.gz UMDFEQFOGREVQB-UHFFFAOYSA-N 1 2 203.245 1.415 20 0 BDADLO Cn1c[nH+]cc1C1CCN(C(=O)C(F)F)CC1 ZINC001347556990 981118238 /nfs/dbraw/zinc/11/82/38/981118238.db2.gz ZYKWGOIGERXQJA-UHFFFAOYSA-N 1 2 243.257 1.391 20 0 BDADLO CC[C@H]1CCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001347735881 981157933 /nfs/dbraw/zinc/15/79/33/981157933.db2.gz PFJRBWVFFNZAPE-NWDGAFQWSA-N 1 2 249.358 1.905 20 0 BDADLO CN(C)c1nccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214292 981160751 /nfs/dbraw/zinc/16/07/51/981160751.db2.gz LTNWCKSDRKVZED-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO COc1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240213514 981161079 /nfs/dbraw/zinc/16/10/79/981161079.db2.gz CHBFHCHGPQRODL-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO c1cn2cc(-c3ncnc4c3COC4)ccc2[nH+]1 ZINC001240217375 981168189 /nfs/dbraw/zinc/16/81/89/981168189.db2.gz OGVNPRSRRUGMOI-UHFFFAOYSA-N 1 2 238.250 1.822 20 0 BDADLO Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)n[nH]1 ZINC001347792900 981176739 /nfs/dbraw/zinc/17/67/39/981176739.db2.gz FFPKSWSSMWTOCW-NEPJUHHUSA-N 1 2 235.331 1.575 20 0 BDADLO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)n[nH]1 ZINC001347792900 981176743 /nfs/dbraw/zinc/17/67/43/981176743.db2.gz FFPKSWSSMWTOCW-NEPJUHHUSA-N 1 2 235.331 1.575 20 0 BDADLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2c[nH]nn2)C1(C)C ZINC001347851361 981199016 /nfs/dbraw/zinc/19/90/16/981199016.db2.gz XKBNGHGSTAHOFE-KOLCDFICSA-N 1 2 224.308 1.098 20 0 BDADLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cn[nH]n2)C1(C)C ZINC001347851361 981199023 /nfs/dbraw/zinc/19/90/23/981199023.db2.gz XKBNGHGSTAHOFE-KOLCDFICSA-N 1 2 224.308 1.098 20 0 BDADLO CCc1ccc(N(C)CC2(O)CCC2)[nH+]c1 ZINC001348096612 981280251 /nfs/dbraw/zinc/28/02/51/981280251.db2.gz FXSFNCBBVAANOA-UHFFFAOYSA-N 1 2 220.316 1.995 20 0 BDADLO CCn1ccc(CN(C)c2cc(N)nc[nH+]2)c1 ZINC001348116173 981286686 /nfs/dbraw/zinc/28/66/86/981286686.db2.gz KAEBXFFNXCVQPA-UHFFFAOYSA-N 1 2 231.303 1.517 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@H](O)CC2)[nH+]1 ZINC001348195296 981307314 /nfs/dbraw/zinc/30/73/14/981307314.db2.gz LNPIBYJBLJCFJS-NSHDSACASA-N 1 2 224.279 1.880 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1CCC=CCC1 ZINC001348267140 981322536 /nfs/dbraw/zinc/32/25/36/981322536.db2.gz UUCRQQZSIPCWEF-UHFFFAOYSA-N 1 2 247.342 1.825 20 0 BDADLO CC[C@H](F)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC001348329016 981336828 /nfs/dbraw/zinc/33/68/28/981336828.db2.gz WMRDBGRBYZSFNP-BDAKNGLRSA-N 1 2 221.247 1.322 20 0 BDADLO CC[C@H](F)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC001348329016 981336835 /nfs/dbraw/zinc/33/68/35/981336835.db2.gz WMRDBGRBYZSFNP-BDAKNGLRSA-N 1 2 221.247 1.322 20 0 BDADLO C[C@H](Cc1nnc(C[NH+](C)C)o1)[C@H]1CCCO1 ZINC001348435801 981361457 /nfs/dbraw/zinc/36/14/57/981361457.db2.gz IHSMLEYAXQQMKA-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO c1cn2ccc(-c3ncnc4[nH]cnc43)cc2[nH+]1 ZINC001240496782 981418964 /nfs/dbraw/zinc/41/89/64/981418964.db2.gz OTROSNUBMIOHAV-UHFFFAOYSA-N 1 2 236.238 1.668 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=O)OCC(C)C ZINC001193831329 981465945 /nfs/dbraw/zinc/46/59/45/981465945.db2.gz GFNZJTZKKSOCGS-UHFFFAOYSA-N 1 2 239.319 1.998 20 0 BDADLO COC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001193902323 981506698 /nfs/dbraw/zinc/50/66/98/981506698.db2.gz YOWPPRYZWKHARH-VIFPVBQESA-N 1 2 248.273 1.558 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH+]ccn2C)[nH]1 ZINC001193916341 981515983 /nfs/dbraw/zinc/51/59/83/981515983.db2.gz RGYJLGMLZKMALN-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO Cc1cc(C[NH+]2CCC([C@H](C)CO)CC2)n[nH]1 ZINC001349571001 981580847 /nfs/dbraw/zinc/58/08/47/981580847.db2.gz XAOCKTNJQSYWMA-SNVBAGLBSA-N 1 2 237.347 1.559 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[C@H]1F ZINC001349575572 981582508 /nfs/dbraw/zinc/58/25/08/981582508.db2.gz VBEHHSZUTPTISI-RKDXNWHRSA-N 1 2 219.219 1.631 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@]23CCOC3)sn1 ZINC001349586541 981587628 /nfs/dbraw/zinc/58/76/28/981587628.db2.gz KTNXJNLREIDMFO-LLVKDONJSA-N 1 2 240.328 1.517 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)OCC(C)(C)C ZINC001194350352 981717401 /nfs/dbraw/zinc/71/74/01/981717401.db2.gz GUSBPAXFSBFCIZ-UHFFFAOYSA-N 1 2 225.292 1.692 20 0 BDADLO CC(C)(C)COC(=O)N1CCn2c[nH+]cc2C1 ZINC001194377706 981757851 /nfs/dbraw/zinc/75/78/51/981757851.db2.gz ZTOIYVSGYVQSJO-UHFFFAOYSA-N 1 2 237.303 1.881 20 0 BDADLO CCCOC(=O)CCNc1nc(C)[nH+]cc1C ZINC001349867598 981802486 /nfs/dbraw/zinc/80/24/86/981802486.db2.gz QEKYPLLBKHIPKH-UHFFFAOYSA-N 1 2 237.303 1.849 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccncc1F ZINC001584249664 981860397 /nfs/dbraw/zinc/86/03/97/981860397.db2.gz APQRJNAZCOGAMY-UHFFFAOYSA-N 1 2 245.257 1.907 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccccc1O ZINC001585868882 981951319 /nfs/dbraw/zinc/95/13/19/981951319.db2.gz UTQPTXFTFHBLEN-SNVBAGLBSA-N 1 2 243.266 1.464 20 0 BDADLO CN1CCOc2c1cn[nH+]c2-c1cccc(O)c1 ZINC001240923192 981986030 /nfs/dbraw/zinc/98/60/30/981986030.db2.gz QMELJJXTDQAQND-UHFFFAOYSA-N 1 2 243.266 1.678 20 0 BDADLO COC[C@H](O)C[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC001195055247 982041199 /nfs/dbraw/zinc/04/11/99/982041199.db2.gz MYQFAVHWPTUMAW-CQSZACIVSA-N 1 2 249.310 1.212 20 0 BDADLO COC[C@H](O)C[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC001195055247 982041209 /nfs/dbraw/zinc/04/12/09/982041209.db2.gz MYQFAVHWPTUMAW-CQSZACIVSA-N 1 2 249.310 1.212 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCC(=O)CC2)c(C)[nH+]1 ZINC001350697765 982048100 /nfs/dbraw/zinc/04/81/00/982048100.db2.gz VOWPCCDEKRESQL-UHFFFAOYSA-N 1 2 246.310 1.812 20 0 BDADLO Cn1ccc(-c2cccc3[nH+]ccn32)cc1=O ZINC001240986570 982072317 /nfs/dbraw/zinc/07/23/17/982072317.db2.gz UGQPUMRTZRUQMR-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO Cc1cc(CNC(=O)Cc2c[nH]c[nH+]2)ccc1F ZINC001587728495 982091894 /nfs/dbraw/zinc/09/18/94/982091894.db2.gz ULZACCXTMJQDHH-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO CCNc1cc(CNC(=O)NC2CC2)cc[nH+]1 ZINC001351024601 982179232 /nfs/dbraw/zinc/17/92/32/982179232.db2.gz YGQFXBUNZAUJJC-UHFFFAOYSA-N 1 2 234.303 1.475 20 0 BDADLO O=C(CC1CCC1)N[C@H]1CCn2c[nH+]cc21 ZINC001351289586 982266568 /nfs/dbraw/zinc/26/65/68/982266568.db2.gz XICFOTABFHYJHG-JTQLQIEISA-N 1 2 219.288 1.634 20 0 BDADLO CN(C)c1ncccc1-c1cc[nH+]c(N)c1 ZINC001241169529 982314799 /nfs/dbraw/zinc/31/47/99/982314799.db2.gz DALNPYYHRLMLQE-UHFFFAOYSA-N 1 2 214.272 1.792 20 0 BDADLO CSCC(C)(C)[NH2+]CC(=O)OC(C)C ZINC001351757849 982376192 /nfs/dbraw/zinc/37/61/92/982376192.db2.gz ZQPBVHACRRRTSA-UHFFFAOYSA-N 1 2 219.350 1.669 20 0 BDADLO COc1cncnc1-c1c[nH+]c(N(C)C)cc1C ZINC001241228863 982380272 /nfs/dbraw/zinc/38/02/72/982380272.db2.gz UQTALEGCYDRFDL-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO O[C@@H](C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1)C(F)(F)F ZINC001250965095 982400421 /nfs/dbraw/zinc/40/04/21/982400421.db2.gz QFXGINXBNAYAOX-HSNKUXOKSA-N 1 2 227.201 1.199 20 0 BDADLO O[C@@H](C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1)C(F)(F)F ZINC001250965095 982400427 /nfs/dbraw/zinc/40/04/27/982400427.db2.gz QFXGINXBNAYAOX-HSNKUXOKSA-N 1 2 227.201 1.199 20 0 BDADLO C[C@@]1(CO)CCCN(c2nccn3c[nH+]cc23)C1 ZINC001351996664 982429041 /nfs/dbraw/zinc/42/90/41/982429041.db2.gz DMYUQCCENZDJDZ-CYBMUJFWSA-N 1 2 246.314 1.328 20 0 BDADLO Cc1cc(N[C@H](C)CC(N)=O)nc(C2CCC2)[nH+]1 ZINC001352045621 982444643 /nfs/dbraw/zinc/44/46/43/982444643.db2.gz LOYIAAIXYRPJKH-MRVPVSSYSA-N 1 2 248.330 1.728 20 0 BDADLO Cc1cccc(NC(=S)NC2C[NH+](C)C2)c1C ZINC001196433368 982449673 /nfs/dbraw/zinc/44/96/73/982449673.db2.gz UYROZWOCMHJFHT-UHFFFAOYSA-N 1 2 249.383 1.904 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]Cc2nc(C(F)F)no2)CO1 ZINC001352080085 982456616 /nfs/dbraw/zinc/45/66/16/982456616.db2.gz UTOOAAHDNADKDZ-BQBZGAKWSA-N 1 2 247.245 1.664 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cnccn1 ZINC001352081498 982458719 /nfs/dbraw/zinc/45/87/19/982458719.db2.gz OTKOVCSSFJJTHV-KOLCDFICSA-N 1 2 243.314 1.987 20 0 BDADLO CNC(=O)c1cc(/C(C)=C/C=C/[NH3+])ccn1 ZINC001241432977 982587240 /nfs/dbraw/zinc/58/72/40/982587240.db2.gz WEFRIGUGWJXWHJ-PLPQCDBPSA-N 1 2 217.272 1.317 20 0 BDADLO Nc1[nH+]cccc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001241443777 982600165 /nfs/dbraw/zinc/60/01/65/982600165.db2.gz ZSVQPGMXGLMZJK-UHFFFAOYSA-N 1 2 238.254 1.511 20 0 BDADLO C[C@H](C(=O)NCCc1[nH+]ccn1C)C1CCCC1 ZINC001352854575 982602191 /nfs/dbraw/zinc/60/21/91/982602191.db2.gz LPNOSVMASOODEC-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)C2=CCCC2)co1 ZINC001353112530 982704464 /nfs/dbraw/zinc/70/44/64/982704464.db2.gz WJUYQDSDFZPPRQ-UHFFFAOYSA-N 1 2 249.314 1.463 20 0 BDADLO Cc1ccccc1NC(=S)NC1C[NH+](C)C1 ZINC001198442815 982737714 /nfs/dbraw/zinc/73/77/14/982737714.db2.gz MRQPWYCLLCQTBQ-UHFFFAOYSA-N 1 2 235.356 1.595 20 0 BDADLO Cc1cc2cccc(C(=O)NC3C[NH+](C)C3)c2[nH]1 ZINC001198574347 982768452 /nfs/dbraw/zinc/76/84/52/982768452.db2.gz QOFMSQQJJTZYLV-UHFFFAOYSA-N 1 2 243.310 1.520 20 0 BDADLO C=C/C=C\CCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001353227613 982789173 /nfs/dbraw/zinc/78/91/73/982789173.db2.gz HNGZCZIRQWOQPM-FOQNGQEVSA-N 1 2 239.315 1.383 20 0 BDADLO C=C/C=C\CCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001353227613 982789179 /nfs/dbraw/zinc/78/91/79/982789179.db2.gz HNGZCZIRQWOQPM-FOQNGQEVSA-N 1 2 239.315 1.383 20 0 BDADLO CCCSCC(=O)NCCc1[nH+]ccn1C ZINC001353242080 982801498 /nfs/dbraw/zinc/80/14/98/982801498.db2.gz ZGVXDJIEYVLIMG-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO Nc1n[nH]c2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001241722440 983006555 /nfs/dbraw/zinc/00/65/55/983006555.db2.gz JWJFTKHMWAHDBM-UHFFFAOYSA-N 1 2 225.255 1.789 20 0 BDADLO CC(C)c1oncc1C(=O)N1CC[NH+](C)CC1 ZINC001199746542 983011892 /nfs/dbraw/zinc/01/18/92/983011892.db2.gz XOCCQXJARWDFJF-UHFFFAOYSA-N 1 2 237.303 1.186 20 0 BDADLO Cc1cc(C[NH2+]C/C=C\CNC(=O)C2CC2)no1 ZINC001273790926 983037741 /nfs/dbraw/zinc/03/77/41/983037741.db2.gz HAUILVQILLARQS-IHWYPQMZSA-N 1 2 249.314 1.155 20 0 BDADLO Cc1cc(C[NH2+]C/C=C/CNC(=O)C2CC2)no1 ZINC001273790927 983039295 /nfs/dbraw/zinc/03/92/95/983039295.db2.gz HAUILVQILLARQS-NSCUHMNNSA-N 1 2 249.314 1.155 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C1(C)CC1 ZINC001353889629 983056786 /nfs/dbraw/zinc/05/67/86/983056786.db2.gz YEQSDRAAHHXGQU-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO Nc1[nH+]cccc1-c1cnn(C2CC2)c1 ZINC001241905920 983117143 /nfs/dbraw/zinc/11/71/43/983117143.db2.gz ARBWOQLAOOTNAN-UHFFFAOYSA-N 1 2 200.245 1.862 20 0 BDADLO c1nnc(NCC[NH+]2Cc3ccccc3C2)s1 ZINC001354029929 983120241 /nfs/dbraw/zinc/12/02/41/983120241.db2.gz ZZDDKRGTOTXFLC-UHFFFAOYSA-N 1 2 246.339 1.966 20 0 BDADLO CCc1ccc(N2CCC3(CC2)OCCO3)[nH+]c1 ZINC001354072595 983140899 /nfs/dbraw/zinc/14/08/99/983140899.db2.gz WPLTWGZGDXNXMP-UHFFFAOYSA-N 1 2 248.326 1.987 20 0 BDADLO Cc1c(N)cc[nH+]c1-c1ccc2[nH]nnc2c1 ZINC001241938002 983149668 /nfs/dbraw/zinc/14/96/68/983149668.db2.gz IBBRNKBGMMARAA-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO Cc1c(N)cc[nH+]c1-c1ccc2nn[nH]c2c1 ZINC001241938002 983149682 /nfs/dbraw/zinc/14/96/82/983149682.db2.gz IBBRNKBGMMARAA-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CC(=O)Nc1cncc(Nc2ccc(N)[nH+]c2)c1 ZINC001201279498 983156266 /nfs/dbraw/zinc/15/62/66/983156266.db2.gz QAVPCAYZURVBPI-UHFFFAOYSA-N 1 2 243.270 1.761 20 0 BDADLO Nc1ccc(Nc2ccnn2CCF)c[nH+]1 ZINC001201279883 983156788 /nfs/dbraw/zinc/15/67/88/983156788.db2.gz VLEYFXJKNVDJNT-UHFFFAOYSA-N 1 2 221.239 1.573 20 0 BDADLO CNC(=O)c1cccnc1Nc1ccc(N)[nH+]c1 ZINC001201279925 983156935 /nfs/dbraw/zinc/15/69/35/983156935.db2.gz WHWXQFFDVPGBGN-UHFFFAOYSA-N 1 2 243.270 1.162 20 0 BDADLO Cc1ccc(C(N)=O)cc1Nc1ccc(N)[nH+]c1 ZINC001201285987 983161141 /nfs/dbraw/zinc/16/11/41/983161141.db2.gz UJDRGFLTEQZCJM-UHFFFAOYSA-N 1 2 242.282 1.815 20 0 BDADLO COC[C@H](Nc1cc(N)nc[nH+]1)c1ccc(C)o1 ZINC001354119440 983162064 /nfs/dbraw/zinc/16/20/64/983162064.db2.gz ARSNHCNSLRWJBJ-VIFPVBQESA-N 1 2 248.286 1.760 20 0 BDADLO Cc1nsc(Nc2ccc(N)[nH+]c2)n1 ZINC001201272421 983172788 /nfs/dbraw/zinc/17/27/88/983172788.db2.gz OCWUDIMOIQCKLM-UHFFFAOYSA-N 1 2 207.262 1.567 20 0 BDADLO Cc1cc(F)cc(N[C@H](C)C[S@@](C)=O)[nH+]1 ZINC001354157177 983177152 /nfs/dbraw/zinc/17/71/52/983177152.db2.gz ORBAAWSMINXPGQ-ANRSDYALSA-N 1 2 230.308 1.708 20 0 BDADLO COc1nccc(Nc2ccc(N)[nH+]c2)c1F ZINC001201278450 983178477 /nfs/dbraw/zinc/17/84/77/983178477.db2.gz BTVZUBJJBRUXNT-UHFFFAOYSA-N 1 2 234.234 1.950 20 0 BDADLO CNC(=S)Nc1cccc2[nH+]c(C)cn21 ZINC001200597440 983199979 /nfs/dbraw/zinc/19/99/79/983199979.db2.gz WDIVDSUDIQJJLA-UHFFFAOYSA-N 1 2 220.301 1.559 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CC=CCC1 ZINC001201409223 983201605 /nfs/dbraw/zinc/20/16/05/983201605.db2.gz POSKNJMEDAVSPG-WOPDTQHZSA-N 1 2 241.306 1.928 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CC=CCC1 ZINC001201409223 983201612 /nfs/dbraw/zinc/20/16/12/983201612.db2.gz POSKNJMEDAVSPG-WOPDTQHZSA-N 1 2 241.306 1.928 20 0 BDADLO CN1CCOc2cc(-c3[nH]cc[nH+]3)ccc21 ZINC001242018469 983220299 /nfs/dbraw/zinc/22/02/99/983220299.db2.gz ORRLEGZPEBVTHZ-UHFFFAOYSA-N 1 2 215.256 1.905 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2cc[nH]c2n1 ZINC001242070773 983303444 /nfs/dbraw/zinc/30/34/44/983303444.db2.gz LJKHZCBEPVZVIK-UHFFFAOYSA-N 1 2 225.255 1.862 20 0 BDADLO COc1nc(-c2c[nH+]c(N)cc2C)ncc1F ZINC001242070900 983305221 /nfs/dbraw/zinc/30/52/21/983305221.db2.gz OXDSBSPCFJWGMV-UHFFFAOYSA-N 1 2 234.234 1.577 20 0 BDADLO COc1ncc(OC)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242072294 983306964 /nfs/dbraw/zinc/30/69/64/983306964.db2.gz HXEWIRVTIQBKQJ-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001354482932 983313914 /nfs/dbraw/zinc/31/39/14/983313914.db2.gz FYJZDAIJEIEBPD-YTRUQHMWSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001354482932 983313919 /nfs/dbraw/zinc/31/39/19/983313919.db2.gz FYJZDAIJEIEBPD-YTRUQHMWSA-N 1 2 241.331 1.463 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201517232 983314222 /nfs/dbraw/zinc/31/42/22/983314222.db2.gz OJNZLWHJJUPFOK-GFCCVEGCSA-N 1 2 247.342 1.776 20 0 BDADLO CC[C@@H](C)C[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201517232 983314231 /nfs/dbraw/zinc/31/42/31/983314231.db2.gz OJNZLWHJJUPFOK-GFCCVEGCSA-N 1 2 247.342 1.776 20 0 BDADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC001354636781 983337662 /nfs/dbraw/zinc/33/76/62/983337662.db2.gz XOENGWAOAAPGTO-MNOVXSKESA-N 1 2 244.302 1.076 20 0 BDADLO C[C@H](c1ncccn1)[N@H+]1CC[C@H](n2cncn2)C1 ZINC001354636781 983337665 /nfs/dbraw/zinc/33/76/65/983337665.db2.gz XOENGWAOAAPGTO-MNOVXSKESA-N 1 2 244.302 1.076 20 0 BDADLO CCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201633636 983362753 /nfs/dbraw/zinc/36/27/53/983362753.db2.gz AHCPJPFVGHEPSF-SFYZADRCSA-N 1 2 229.217 1.734 20 0 BDADLO CCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201633636 983362759 /nfs/dbraw/zinc/36/27/59/983362759.db2.gz AHCPJPFVGHEPSF-SFYZADRCSA-N 1 2 229.217 1.734 20 0 BDADLO CSCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201679447 983391887 /nfs/dbraw/zinc/39/18/87/983391887.db2.gz BMRLRSXEWMKFRX-SECBINFHSA-N 1 2 239.331 1.832 20 0 BDADLO CSCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201679447 983391892 /nfs/dbraw/zinc/39/18/92/983391892.db2.gz BMRLRSXEWMKFRX-SECBINFHSA-N 1 2 239.331 1.832 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccon1 ZINC001200853778 983401931 /nfs/dbraw/zinc/40/19/31/983401931.db2.gz JDAIIIZCHKCHPT-UHFFFAOYSA-N 1 2 234.303 1.985 20 0 BDADLO Cc1noc(C2(NCc3[nH]c(C)c(C)[nH+]3)CC2)n1 ZINC001355369765 983481147 /nfs/dbraw/zinc/48/11/47/983481147.db2.gz DEHDARPRDQNXMW-UHFFFAOYSA-N 1 2 247.302 1.497 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC001203980255 983527084 /nfs/dbraw/zinc/52/70/84/983527084.db2.gz NYOMGCXHAGVPPX-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC001203980255 983527089 /nfs/dbraw/zinc/52/70/89/983527089.db2.gz NYOMGCXHAGVPPX-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)CCNC2=O ZINC001242323863 983557343 /nfs/dbraw/zinc/55/73/43/983557343.db2.gz FECULVONVWDBND-GBWIQOKOSA-N 1 2 228.295 1.848 20 0 BDADLO Cc1cccc([C@H](O)C[NH2+]CC(F)F)c1 ZINC001356585955 983635294 /nfs/dbraw/zinc/63/52/94/983635294.db2.gz OWUJAJRUOAOEMX-SNVBAGLBSA-N 1 2 215.243 1.883 20 0 BDADLO CCOc1cc(NCC(C)(C)O)cc[nH+]1 ZINC001252346692 983742677 /nfs/dbraw/zinc/74/26/77/983742677.db2.gz LRIUQZYVRPEQLE-UHFFFAOYSA-N 1 2 210.277 1.663 20 0 BDADLO CC(C)(C)NC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001202493539 983778894 /nfs/dbraw/zinc/77/88/94/983778894.db2.gz LQXUIYMMFZVIQM-UHFFFAOYSA-N 1 2 246.314 1.932 20 0 BDADLO Nc1cn2ccc(-c3c[nH]c(=O)c(F)c3)cc2[nH+]1 ZINC001242614634 983991881 /nfs/dbraw/zinc/99/18/81/983991881.db2.gz KCGSKPJUEVHUNW-UHFFFAOYSA-N 1 2 244.229 1.823 20 0 BDADLO CCS(=O)(=O)Nc1c[nH+]c2cccc(C)n12 ZINC001253289718 984076892 /nfs/dbraw/zinc/07/68/92/984076892.db2.gz CQJJFQFWBIAXBV-UHFFFAOYSA-N 1 2 239.300 1.404 20 0 BDADLO NC(=O)c1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240497479 984305936 /nfs/dbraw/zinc/30/59/36/984305936.db2.gz ZROWAZRHWCCUOL-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO Nc1cn2ccc(-c3cncc(CO)c3)cc2[nH+]1 ZINC001242971296 984338269 /nfs/dbraw/zinc/33/82/69/984338269.db2.gz IRFFFFPIVSWEMR-UHFFFAOYSA-N 1 2 240.266 1.471 20 0 BDADLO COC(=O)c1ncc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001243009069 984364329 /nfs/dbraw/zinc/36/43/29/984364329.db2.gz LCKFDKCMXDHNSH-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO Nc1[nH+]cccc1C1=CCN(C(=O)C2CC2)CC1 ZINC001243028335 984378126 /nfs/dbraw/zinc/37/81/26/984378126.db2.gz VMZPMSQOSCMPBY-UHFFFAOYSA-N 1 2 243.310 1.690 20 0 BDADLO C=C/C=C\CC(=O)NCCCn1cc[nH+]c1 ZINC001440487839 984425533 /nfs/dbraw/zinc/42/55/33/984425533.db2.gz IGTMAMASDKYVMI-ARJAWSKDSA-N 1 2 219.288 1.522 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(Cl)nc1 ZINC001440984507 984457025 /nfs/dbraw/zinc/45/70/25/984457025.db2.gz NTDLFPAUVNYPPE-UHFFFAOYSA-N 1 2 236.662 1.639 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(NC(N)=O)c1 ZINC001243068852 984487987 /nfs/dbraw/zinc/48/79/87/984487987.db2.gz IUXKVIDIFXSTNX-UHFFFAOYSA-N 1 2 216.244 1.578 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)NC(=O)NC2 ZINC001243068421 984489918 /nfs/dbraw/zinc/48/99/18/984489918.db2.gz WOOIBKKEWFWBTE-UHFFFAOYSA-N 1 2 228.255 1.722 20 0 BDADLO CC(=O)Nc1cc(-c2c[nH+]cn2C)ccn1 ZINC001243069991 984492685 /nfs/dbraw/zinc/49/26/85/984492685.db2.gz DJHRHCONGATAQZ-UHFFFAOYSA-N 1 2 216.244 1.441 20 0 BDADLO Cc1nc2ccc(-c3c[nH+]cn3C)cn2n1 ZINC001243069888 984492970 /nfs/dbraw/zinc/49/29/70/984492970.db2.gz ZWZKQXLJOAELQL-UHFFFAOYSA-N 1 2 213.244 1.438 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CNC(=O)N2C ZINC001243069749 984495230 /nfs/dbraw/zinc/49/52/30/984495230.db2.gz KMXAHVIFOREGEC-UHFFFAOYSA-N 1 2 242.282 1.747 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC001442350446 984496296 /nfs/dbraw/zinc/49/62/96/984496296.db2.gz DOPUXYAYASMCMD-GFCCVEGCSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC001442350446 984496303 /nfs/dbraw/zinc/49/63/03/984496303.db2.gz DOPUXYAYASMCMD-GFCCVEGCSA-N 1 2 244.298 1.596 20 0 BDADLO CN1CCC12C[NH+](Cc1cccc3nonc31)C2 ZINC001275216576 984521044 /nfs/dbraw/zinc/52/10/44/984521044.db2.gz NUIYXLLBPCOJBO-UHFFFAOYSA-N 1 2 244.298 1.113 20 0 BDADLO CSCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001444349999 984553598 /nfs/dbraw/zinc/55/35/98/984553598.db2.gz NSHZQZCXDYWPTA-UHFFFAOYSA-N 1 2 241.360 1.520 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCCn1cccc1 ZINC001445168231 984583287 /nfs/dbraw/zinc/58/32/87/984583287.db2.gz YHIWQBAVAXGHNM-UHFFFAOYSA-N 1 2 246.314 1.616 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccnc(F)c1 ZINC001445167812 984584785 /nfs/dbraw/zinc/58/47/85/984584785.db2.gz ULLVXLHXIZNDGO-UHFFFAOYSA-N 1 2 248.261 1.111 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(C)(C)C1(C)C ZINC001445083715 984585588 /nfs/dbraw/zinc/58/55/88/984585588.db2.gz UDOXIRXVVDMOJN-UHFFFAOYSA-N 1 2 235.331 1.908 20 0 BDADLO C[N@@H+]1CCC12CN(Cc1cccs1)C2 ZINC001275858416 984702673 /nfs/dbraw/zinc/70/26/73/984702673.db2.gz XQMPUFSDMLIFEZ-UHFFFAOYSA-N 1 2 208.330 1.638 20 0 BDADLO C[N@H+]1CCC12CN(Cc1cccs1)C2 ZINC001275858416 984702696 /nfs/dbraw/zinc/70/26/96/984702696.db2.gz XQMPUFSDMLIFEZ-UHFFFAOYSA-N 1 2 208.330 1.638 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC001447964633 984801693 /nfs/dbraw/zinc/80/16/93/984801693.db2.gz GTKPDKZLRYQDAP-ZETCQYMHSA-N 1 2 235.209 1.409 20 0 BDADLO CS[C@H](C)C(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001278362643 984830227 /nfs/dbraw/zinc/83/02/27/984830227.db2.gz GJCNNAMHHIDJAC-MWLCHTKSSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001278362643 984830228 /nfs/dbraw/zinc/83/02/28/984830228.db2.gz GJCNNAMHHIDJAC-MWLCHTKSSA-N 1 2 248.367 1.288 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(F)c1 ZINC001449978692 984852491 /nfs/dbraw/zinc/85/24/91/984852491.db2.gz OUDVWLNJQUQIBL-LLVKDONJSA-N 1 2 245.257 1.377 20 0 BDADLO O=C(/C=C\c1ccco1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001449966166 984852737 /nfs/dbraw/zinc/85/27/37/984852737.db2.gz DXJHEAIAVSCWIF-UMBAGQNISA-N 1 2 243.266 1.230 20 0 BDADLO C=C/C=C\CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001449961634 984853905 /nfs/dbraw/zinc/85/39/05/984853905.db2.gz AROJSOGWBVBYOE-XOULXFPDSA-N 1 2 217.272 1.056 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925550696 984868195 /nfs/dbraw/zinc/86/81/95/984868195.db2.gz NNRCQXCUALHDEZ-RWMBFGLXSA-N 1 2 246.358 1.471 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2N[C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925550696 984868197 /nfs/dbraw/zinc/86/81/97/984868197.db2.gz NNRCQXCUALHDEZ-RWMBFGLXSA-N 1 2 246.358 1.471 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001589005000 984989316 /nfs/dbraw/zinc/98/93/16/984989316.db2.gz WYLDQCLURQPIOZ-WOPDTQHZSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001589005000 984989337 /nfs/dbraw/zinc/98/93/37/984989337.db2.gz WYLDQCLURQPIOZ-WOPDTQHZSA-N 1 2 240.347 1.456 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2C)oc1C ZINC001453668266 985001033 /nfs/dbraw/zinc/00/10/33/985001033.db2.gz VESGLXXDJFOORV-JTQLQIEISA-N 1 2 237.303 1.714 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)oc1C ZINC001453668266 985001044 /nfs/dbraw/zinc/00/10/44/985001044.db2.gz VESGLXXDJFOORV-JTQLQIEISA-N 1 2 237.303 1.714 20 0 BDADLO Nc1[nH+]cccc1-c1cnc2c(c1)CCC(=O)N2 ZINC001243473568 985023258 /nfs/dbraw/zinc/02/32/58/985023258.db2.gz CGGYLEKWMUFVJT-UHFFFAOYSA-N 1 2 240.266 1.611 20 0 BDADLO CCOC(=O)c1ncc(-c2ccc[nH+]c2N)cn1 ZINC001243473533 985024469 /nfs/dbraw/zinc/02/44/69/985024469.db2.gz BZWFRHPVXIHDDO-UHFFFAOYSA-N 1 2 244.254 1.298 20 0 BDADLO NC(=O)c1ccc(F)c(-c2ccc[nH+]c2N)c1 ZINC001243473657 985026333 /nfs/dbraw/zinc/02/63/33/985026333.db2.gz NVBXKGLQUDLJFI-UHFFFAOYSA-N 1 2 231.230 1.569 20 0 BDADLO Nc1[nH+]cccc1-c1cc2c(c(F)c1)C(=O)NC2 ZINC001243475146 985027597 /nfs/dbraw/zinc/02/75/97/985027597.db2.gz FGRRSTRJNVUXLA-UHFFFAOYSA-N 1 2 243.241 1.713 20 0 BDADLO COC(=O)c1c(F)cncc1-c1ccc[nH+]c1N ZINC001243475153 985030382 /nfs/dbraw/zinc/03/03/82/985030382.db2.gz FHNDPXNRUJNPQD-UHFFFAOYSA-N 1 2 247.229 1.652 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccns2)C1 ZINC001454378195 985032119 /nfs/dbraw/zinc/03/21/19/985032119.db2.gz IOKATPFXHFKNMM-MRVPVSSYSA-N 1 2 225.317 1.423 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccns2)C1 ZINC001454378195 985032130 /nfs/dbraw/zinc/03/21/30/985032130.db2.gz IOKATPFXHFKNMM-MRVPVSSYSA-N 1 2 225.317 1.423 20 0 BDADLO Nc1[nH+]cccc1-c1cnn(CC2CC2)c(=O)c1 ZINC001243477497 985034068 /nfs/dbraw/zinc/03/40/68/985034068.db2.gz QLMWCZFHTTWDGM-UHFFFAOYSA-N 1 2 242.282 1.298 20 0 BDADLO COCOc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243477910 985037513 /nfs/dbraw/zinc/03/75/13/985037513.db2.gz RJXUAUJFORXEPQ-UHFFFAOYSA-N 1 2 231.255 1.709 20 0 BDADLO COc1ncc(-c2ccc[nH+]c2N)c(C)n1 ZINC001243476475 985037797 /nfs/dbraw/zinc/03/77/97/985037797.db2.gz SKGHIIOQINMUTD-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO CNc1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243477022 985039847 /nfs/dbraw/zinc/03/98/47/985039847.db2.gz HDMHBUMGGGPNKC-UHFFFAOYSA-N 1 2 200.245 1.768 20 0 BDADLO CCc1[nH]c(CNC(=O)C[C@@H]2C=CCC2)c[nH+]1 ZINC001456141272 985115310 /nfs/dbraw/zinc/11/53/10/985115310.db2.gz HDLZEHIPACIBKM-SNVBAGLBSA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]cc(CNC(=O)C[C@@H]2C=CCC2)[nH+]1 ZINC001456141272 985115319 /nfs/dbraw/zinc/11/53/19/985115319.db2.gz HDLZEHIPACIBKM-SNVBAGLBSA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)CCCSC)c[nH+]1 ZINC001456141274 985118834 /nfs/dbraw/zinc/11/88/34/985118834.db2.gz HEZODWCNCZTVPQ-UHFFFAOYSA-N 1 2 241.360 1.732 20 0 BDADLO CCc1[nH]cc(CNC(=O)CCCSC)[nH+]1 ZINC001456141274 985118844 /nfs/dbraw/zinc/11/88/44/985118844.db2.gz HEZODWCNCZTVPQ-UHFFFAOYSA-N 1 2 241.360 1.732 20 0 BDADLO CS[C@@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456342936 985132245 /nfs/dbraw/zinc/13/22/45/985132245.db2.gz IAJNTZGCWPCICI-QMMMGPOBSA-N 1 2 241.360 1.901 20 0 BDADLO CS[C@@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456342936 985132252 /nfs/dbraw/zinc/13/22/52/985132252.db2.gz IAJNTZGCWPCICI-QMMMGPOBSA-N 1 2 241.360 1.901 20 0 BDADLO CS[C@H](C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456342929 985134758 /nfs/dbraw/zinc/13/47/58/985134758.db2.gz IAJNTZGCWPCICI-MRVPVSSYSA-N 1 2 241.360 1.901 20 0 BDADLO CS[C@H](C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456342929 985134766 /nfs/dbraw/zinc/13/47/66/985134766.db2.gz IAJNTZGCWPCICI-MRVPVSSYSA-N 1 2 241.360 1.901 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001589445744 985185872 /nfs/dbraw/zinc/18/58/72/985185872.db2.gz WEOGJWQCLCICBC-NXEZZACHSA-N 1 2 237.303 1.073 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001589445744 985185897 /nfs/dbraw/zinc/18/58/97/985185897.db2.gz WEOGJWQCLCICBC-NXEZZACHSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@@H](C(=O)NN1C[C@@H]2CCC[C@@H]2C1)n1cc[nH+]c1 ZINC001457416728 985214581 /nfs/dbraw/zinc/21/45/81/985214581.db2.gz ICKAYNVZYFTLMI-SDDRHHMPSA-N 1 2 248.330 1.207 20 0 BDADLO CO[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001458327672 985292988 /nfs/dbraw/zinc/29/29/88/985292988.db2.gz BPXPHNDOVXQBFK-NSHDSACASA-N 1 2 237.303 1.211 20 0 BDADLO CC(C)c1[nH]cc(CNc2ncccn2)[nH+]1 ZINC001458643673 985339250 /nfs/dbraw/zinc/33/92/50/985339250.db2.gz UVKCCXMVKFZNBO-UHFFFAOYSA-N 1 2 217.276 1.935 20 0 BDADLO CC(C)c1[nH]c(CNc2ncccn2)c[nH+]1 ZINC001458643673 985339267 /nfs/dbraw/zinc/33/92/67/985339267.db2.gz UVKCCXMVKFZNBO-UHFFFAOYSA-N 1 2 217.276 1.935 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000687797965 985389611 /nfs/dbraw/zinc/38/96/11/985389611.db2.gz IDSHYDUAQUGADD-SNVBAGLBSA-N 1 2 224.304 1.755 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H](O)C2)o1 ZINC000687797965 985389619 /nfs/dbraw/zinc/38/96/19/985389619.db2.gz IDSHYDUAQUGADD-SNVBAGLBSA-N 1 2 224.304 1.755 20 0 BDADLO CCc1cn(CC(=O)c2ccnn2C)c[nH+]1 ZINC001459261522 985407495 /nfs/dbraw/zinc/40/74/95/985407495.db2.gz MXAJIYMVDCCYIS-UHFFFAOYSA-N 1 2 218.260 1.062 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cnc(N)cn1 ZINC000687983967 985445521 /nfs/dbraw/zinc/44/55/21/985445521.db2.gz WRDSRXIENDRPHM-GFCCVEGCSA-N 1 2 236.319 1.060 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cnc(N)cn1 ZINC000687983967 985445560 /nfs/dbraw/zinc/44/55/60/985445560.db2.gz WRDSRXIENDRPHM-GFCCVEGCSA-N 1 2 236.319 1.060 20 0 BDADLO COC(=O)C1([NH2+][C@@H](C)CCSC)CC1 ZINC001258199159 985599848 /nfs/dbraw/zinc/59/98/48/985599848.db2.gz UVMLGJZKDSXAAN-QMMMGPOBSA-N 1 2 217.334 1.423 20 0 BDADLO Fc1c[nH]c2ncnc(C3=C[NH2+]CCC3)c12 ZINC001243947034 985620365 /nfs/dbraw/zinc/62/03/65/985620365.db2.gz CNIVLWNBPMVJGG-UHFFFAOYSA-N 1 2 218.235 1.773 20 0 BDADLO Fc1cc2c(cn1)ncnc2C1=C[NH2+]CCC1 ZINC001243947366 985621173 /nfs/dbraw/zinc/62/11/73/985621173.db2.gz IQFGIZLSHLQNGH-UHFFFAOYSA-N 1 2 230.246 1.888 20 0 BDADLO O=C1NCCc2cc(C3=C[NH2+]CCC3)ncc21 ZINC001243948969 985635468 /nfs/dbraw/zinc/63/54/68/985635468.db2.gz HTCAYVWGSCKRDF-UHFFFAOYSA-N 1 2 229.283 1.092 20 0 BDADLO COCc1nc(OC)cc(C2=C[NH2+]CCC2)n1 ZINC001243950308 985652207 /nfs/dbraw/zinc/65/22/07/985652207.db2.gz XNRJJEHZABXAGK-UHFFFAOYSA-N 1 2 235.287 1.356 20 0 BDADLO c1cn2nc(C3=C[NH2+]CCC3)ccc2n1 ZINC001243952748 985662031 /nfs/dbraw/zinc/66/20/31/985662031.db2.gz PDORUEXWQHYNFS-UHFFFAOYSA-N 1 2 200.245 1.454 20 0 BDADLO CNc1cc(N(C)CCc2nccs2)nc[nH+]1 ZINC000688763364 985724298 /nfs/dbraw/zinc/72/42/98/985724298.db2.gz SICVONLINHNFEH-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO CNc1cc(N(C)CCc2nccs2)[nH+]cn1 ZINC000688763364 985724312 /nfs/dbraw/zinc/72/43/12/985724312.db2.gz SICVONLINHNFEH-UHFFFAOYSA-N 1 2 249.343 1.654 20 0 BDADLO Cc1nnc(C[N@@H+]2Cc3c[nH]nc3C[C@@H](C)C2)[nH]1 ZINC001460781754 985896551 /nfs/dbraw/zinc/89/65/51/985896551.db2.gz YQJYTIKFIWUMGO-MRVPVSSYSA-N 1 2 246.318 1.031 20 0 BDADLO Cc1nnc(C[N@H+]2Cc3c[nH]nc3C[C@@H](C)C2)[nH]1 ZINC001460781754 985896559 /nfs/dbraw/zinc/89/65/59/985896559.db2.gz YQJYTIKFIWUMGO-MRVPVSSYSA-N 1 2 246.318 1.031 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001138936561 986033532 /nfs/dbraw/zinc/03/35/32/986033532.db2.gz LTURLXUDCXPKEQ-VXGBXAGGSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001138936561 986033548 /nfs/dbraw/zinc/03/35/48/986033548.db2.gz LTURLXUDCXPKEQ-VXGBXAGGSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn(C)n2)cc(C)n1 ZINC001461513098 986068171 /nfs/dbraw/zinc/06/81/71/986068171.db2.gz KNFWQLODRTVYET-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO C[C@@H]([NH2+]Cc1ccoc1)c1ccn(C)n1 ZINC001461563891 986079889 /nfs/dbraw/zinc/07/98/89/986079889.db2.gz CXRWTVWUDZXECY-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO CC[NH+](CC)c1ccc(Nc2nnnn2C)cc1 ZINC001212968235 986084937 /nfs/dbraw/zinc/08/49/37/986084937.db2.gz QFOPOHRNRMCAKR-UHFFFAOYSA-N 1 2 246.318 1.800 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cnsc2)n1 ZINC001461575605 986088079 /nfs/dbraw/zinc/08/80/79/986088079.db2.gz KTUJVPZUEYZKPC-UHFFFAOYSA-N 1 2 222.317 1.649 20 0 BDADLO COCCOc1ccc(/C(C)=C/C=C/[NH3+])cn1 ZINC001244439424 986092974 /nfs/dbraw/zinc/09/29/74/986092974.db2.gz ULECYJQXGDVNNX-RZVFHRDZSA-N 1 2 234.299 1.983 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC001258808803 986267051 /nfs/dbraw/zinc/26/70/51/986267051.db2.gz UDPQQXIJDJASLT-USZNOCQGSA-N 1 2 243.347 1.467 20 0 BDADLO COc1cc(-c2c[nH+]cn2C)ccc1CO ZINC001244661880 986296475 /nfs/dbraw/zinc/29/64/75/986296475.db2.gz AEYYXWBUSZSSPA-UHFFFAOYSA-N 1 2 218.256 1.588 20 0 BDADLO O=C1Nc2ccccc2C[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC001461675435 986379638 /nfs/dbraw/zinc/37/96/38/986379638.db2.gz HZDMKNURQFUZGV-LBPRGKRZSA-N 1 2 242.282 1.063 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)[C@@H](C)CC ZINC001253781910 986417106 /nfs/dbraw/zinc/41/71/06/986417106.db2.gz LEYOGZVQPBDCMD-SRVKXCTJSA-N 1 2 245.363 1.571 20 0 BDADLO CC(C)[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001261755276 986526595 /nfs/dbraw/zinc/52/65/95/986526595.db2.gz AAGVHNUNVTVSSI-PWSUYJOCSA-N 1 2 235.331 1.995 20 0 BDADLO C[N@H+](CC=C(Cl)Cl)CC(C)(CO)CO ZINC000689334896 986526698 /nfs/dbraw/zinc/52/66/98/986526698.db2.gz OTSFVDLYSOORDN-UHFFFAOYSA-N 1 2 242.146 1.228 20 0 BDADLO C[N@@H+](CC=C(Cl)Cl)CC(C)(CO)CO ZINC000689334896 986526718 /nfs/dbraw/zinc/52/67/18/986526718.db2.gz OTSFVDLYSOORDN-UHFFFAOYSA-N 1 2 242.146 1.228 20 0 BDADLO CNc1cc(-c2c[nH]c3c[nH]c(=O)c-3c2)cc[nH+]1 ZINC001244977151 986568584 /nfs/dbraw/zinc/56/85/84/986568584.db2.gz SOCVVPRLIGRTRC-UHFFFAOYSA-N 1 2 240.266 1.429 20 0 BDADLO Cc1nc(N[C@H](C)CNC(=O)CC2CC2)cc[nH+]1 ZINC001097645674 986634625 /nfs/dbraw/zinc/63/46/25/986634625.db2.gz OJAFFEUADYATOS-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCSC[C@H]1C ZINC001465377019 986716817 /nfs/dbraw/zinc/71/68/17/986716817.db2.gz YVYOJWPVEYWDCV-MRVPVSSYSA-N 1 2 239.344 1.225 20 0 BDADLO COC1(C)C[NH+](Cc2[nH]c(C)cc2C)C1 ZINC001137323102 986771026 /nfs/dbraw/zinc/77/10/26/986771026.db2.gz XSAANGRXCNPXKY-UHFFFAOYSA-N 1 2 208.305 1.852 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc(F)cc2F)C1 ZINC000383840584 986829779 /nfs/dbraw/zinc/82/97/79/986829779.db2.gz VBRFVEFTBDQKLT-JTQLQIEISA-N 1 2 243.253 1.674 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc(F)cc2F)C1 ZINC000383840584 986829785 /nfs/dbraw/zinc/82/97/85/986829785.db2.gz VBRFVEFTBDQKLT-JTQLQIEISA-N 1 2 243.253 1.674 20 0 BDADLO C[C@H](F)CCNC(=O)CCc1[nH+]ccn1C ZINC001263834128 986842033 /nfs/dbraw/zinc/84/20/33/986842033.db2.gz AAHTWZAEQGTYJK-VIFPVBQESA-N 1 2 227.283 1.217 20 0 BDADLO Nc1ncc(C[NH2+][C@@H]2CCn3ccnc32)s1 ZINC001580472751 986869639 /nfs/dbraw/zinc/86/96/39/986869639.db2.gz YNCIPSUVMTUNJR-MRVPVSSYSA-N 1 2 235.316 1.156 20 0 BDADLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cncnc1 ZINC001137669291 986891052 /nfs/dbraw/zinc/89/10/52/986891052.db2.gz LINXYPZQFIWHJC-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1COCC[N@H+]1Cc1cncnc1 ZINC001137669291 986891055 /nfs/dbraw/zinc/89/10/55/986891055.db2.gz LINXYPZQFIWHJC-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO Cc1cc(-c2cccc(C(N)=O)c2F)c[nH+]c1N ZINC001245537891 986918829 /nfs/dbraw/zinc/91/88/29/986918829.db2.gz GULYGMOHPBFRGU-UHFFFAOYSA-N 1 2 245.257 1.877 20 0 BDADLO Cc1cc(-c2cnc3c(c2)OCCO3)c[nH+]c1N ZINC001245537571 986920276 /nfs/dbraw/zinc/92/02/76/986920276.db2.gz RLHGPTIZWRAIBQ-UHFFFAOYSA-N 1 2 243.266 1.805 20 0 BDADLO Cc1cc(-c2ccc(F)c(C(N)=O)c2)c[nH+]c1N ZINC001245540593 986926324 /nfs/dbraw/zinc/92/63/24/986926324.db2.gz WEQLAVSLVBFFHK-UHFFFAOYSA-N 1 2 245.257 1.877 20 0 BDADLO Cc1cc(-c2cc(F)ccc2C(N)=O)c[nH+]c1N ZINC001245540144 986927428 /nfs/dbraw/zinc/92/74/28/986927428.db2.gz OYPYNOSASAEBSB-UHFFFAOYSA-N 1 2 245.257 1.877 20 0 BDADLO Cc1cc(-c2cnc([S@@](C)=O)nc2)c[nH+]c1N ZINC001245541687 986930656 /nfs/dbraw/zinc/93/06/56/986930656.db2.gz VJRYTIRDEDWQOE-QGZVFWFLSA-N 1 2 248.311 1.167 20 0 BDADLO CCC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001468780580 986934633 /nfs/dbraw/zinc/93/46/33/986934633.db2.gz YIMGTQCEDRDRCW-UHFFFAOYSA-N 1 2 207.277 1.129 20 0 BDADLO O=C(NC[C@H]1CC[NH2+]1)c1cccc(Cl)c1O ZINC001580661277 986980284 /nfs/dbraw/zinc/98/02/84/986980284.db2.gz OMWQHZNOBLWVGO-SSDOTTSWSA-N 1 2 240.690 1.137 20 0 BDADLO COC[C@H](C)[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001255576512 987023608 /nfs/dbraw/zinc/02/36/08/987023608.db2.gz GZLGTIZASYSWLC-JTQLQIEISA-N 1 2 249.310 1.824 20 0 BDADLO COC[C@H](C)[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001255576512 987023621 /nfs/dbraw/zinc/02/36/21/987023621.db2.gz GZLGTIZASYSWLC-JTQLQIEISA-N 1 2 249.310 1.824 20 0 BDADLO O=C(Cc1ncc[nH]1)Nc1ccc2[nH+]ccn2c1 ZINC001470394913 987040405 /nfs/dbraw/zinc/04/04/05/987040405.db2.gz RESBYLDXBNJXRD-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)CC(F)(F)F ZINC001255645506 987044231 /nfs/dbraw/zinc/04/42/31/987044231.db2.gz GADXQGZFGUHTFO-JGVFFNPUSA-N 1 2 239.237 1.965 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1[C@@H](C)CC(F)(F)F ZINC001255645506 987044244 /nfs/dbraw/zinc/04/42/44/987044244.db2.gz GADXQGZFGUHTFO-JGVFFNPUSA-N 1 2 239.237 1.965 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001589494654 987071400 /nfs/dbraw/zinc/07/14/00/987071400.db2.gz KJMBCXVWYMCZAG-GXSJLCMTSA-N 1 2 236.271 1.008 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001589494654 987071406 /nfs/dbraw/zinc/07/14/06/987071406.db2.gz KJMBCXVWYMCZAG-GXSJLCMTSA-N 1 2 236.271 1.008 20 0 BDADLO O=C1CC(c2ccncc2)=NN1C1CC[NH2+]CC1 ZINC001245910337 987134536 /nfs/dbraw/zinc/13/45/36/987134536.db2.gz IXLMDVIIRXUEBE-UHFFFAOYSA-N 1 2 244.298 1.575 20 0 BDADLO O=c1cc(-c2ccncc2)[nH]n1C1CC[NH2+]CC1 ZINC001245910337 987134554 /nfs/dbraw/zinc/13/45/54/987134554.db2.gz IXLMDVIIRXUEBE-UHFFFAOYSA-N 1 2 244.298 1.575 20 0 BDADLO O=C1CC(C2CC[NH2+]CC2)=NN1CC1CCC1 ZINC001245916872 987152338 /nfs/dbraw/zinc/15/23/38/987152338.db2.gz BEDDSKZIQPHLKP-UHFFFAOYSA-N 1 2 235.331 1.856 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C\[C@H]2CCOC2)c[nH+]1 ZINC001472020056 987160883 /nfs/dbraw/zinc/16/08/83/987160883.db2.gz ARLWHVKXOUASDU-XOULXFPDSA-N 1 2 249.314 1.181 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C[C@H]2CCOC2)[nH+]1 ZINC001472020056 987160885 /nfs/dbraw/zinc/16/08/85/987160885.db2.gz ARLWHVKXOUASDU-XOULXFPDSA-N 1 2 249.314 1.181 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2ccccc2F)[nH]1 ZINC001245922836 987169826 /nfs/dbraw/zinc/16/98/26/987169826.db2.gz FTPUJFFRJAYSPK-UHFFFAOYSA-N 1 2 221.235 1.235 20 0 BDADLO CC(C)=CC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101488646 987187273 /nfs/dbraw/zinc/18/72/73/987187273.db2.gz SHPIXDJSZFXQBY-UHFFFAOYSA-N 1 2 248.330 1.622 20 0 BDADLO CC(=O)NCC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102271767 987209304 /nfs/dbraw/zinc/20/93/04/987209304.db2.gz WICIXJXYZLUNED-LBPRGKRZSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)NCC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102271766 987213030 /nfs/dbraw/zinc/21/30/30/987213030.db2.gz WICIXJXYZLUNED-GFCCVEGCSA-N 1 2 248.330 1.138 20 0 BDADLO Cc1ncncc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001472629062 987258127 /nfs/dbraw/zinc/25/81/27/987258127.db2.gz LOGJOSFHLLVAKB-VIFPVBQESA-N 1 2 231.259 1.181 20 0 BDADLO CCN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CCC1 ZINC001116111817 987447697 /nfs/dbraw/zinc/44/76/97/987447697.db2.gz XOBNSZLWIALUNY-SNVBAGLBSA-N 1 2 221.304 1.845 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001116287439 987507538 /nfs/dbraw/zinc/50/75/38/987507538.db2.gz JOMXKQBMLGYBSE-DTWKUNHWSA-N 1 2 243.257 1.748 20 0 BDADLO Cn1nccc1NCc1cccc2[nH+]ccn21 ZINC001474064544 987636068 /nfs/dbraw/zinc/63/60/68/987636068.db2.gz KXXNHDMLTLXOQJ-UHFFFAOYSA-N 1 2 227.271 1.680 20 0 BDADLO CCc1nc(C[NH2+]Cc2cc[nH]c2)co1 ZINC001474149335 987649591 /nfs/dbraw/zinc/64/95/91/987649591.db2.gz LIJORKISTMDUGW-UHFFFAOYSA-N 1 2 205.261 1.855 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)n(C)n1 ZINC001474175759 987655451 /nfs/dbraw/zinc/65/54/51/987655451.db2.gz WGLUUZLSJGFCIO-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ncc[nH]1 ZINC001116735129 987685832 /nfs/dbraw/zinc/68/58/32/987685832.db2.gz MKAXQXGQLCDJQY-ZJUUUORDSA-N 1 2 247.302 1.435 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1nccn1C ZINC001474430868 987720187 /nfs/dbraw/zinc/72/01/87/987720187.db2.gz SHLYCNAYEXIMOW-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(Cl)cs1 ZINC001474481391 987734555 /nfs/dbraw/zinc/73/45/55/987734555.db2.gz UMOKZVCSOHAYEY-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nc(Cl)cs1 ZINC001474481391 987734564 /nfs/dbraw/zinc/73/45/64/987734564.db2.gz UMOKZVCSOHAYEY-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116893113 987751077 /nfs/dbraw/zinc/75/10/77/987751077.db2.gz HGDAXAWSZFCTAW-IVZWLZJFSA-N 1 2 207.277 1.359 20 0 BDADLO Cc1noc(C2CC([NH2+][C@@H](C)C(F)F)C2)n1 ZINC001474681823 987797646 /nfs/dbraw/zinc/79/76/46/987797646.db2.gz OQIGYEGPJPTFTK-JADALISFSA-N 1 2 231.246 1.867 20 0 BDADLO CCCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001117669898 987857118 /nfs/dbraw/zinc/85/71/18/987857118.db2.gz MHHNQDNIVDNJEN-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1cc(C)nn1C ZINC001321708623 987973870 /nfs/dbraw/zinc/97/38/70/987973870.db2.gz DHRWTCGZTBYJAI-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2CCSC2)o1 ZINC001118070457 987997392 /nfs/dbraw/zinc/99/73/92/987997392.db2.gz IAYXZIZSBJMRLH-SSDOTTSWSA-N 1 2 213.306 1.352 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC001118098859 988019237 /nfs/dbraw/zinc/01/92/37/988019237.db2.gz BNCNQTKMXIFKCC-FTLITQJKSA-N 1 2 227.333 1.923 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2ccc(=O)[nH]n2)on1 ZINC001321858757 988029368 /nfs/dbraw/zinc/02/93/68/988029368.db2.gz VCPWIVXEBAFVQJ-MRVPVSSYSA-N 1 2 248.286 1.583 20 0 BDADLO CCC(O)(CC)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001322156471 988142337 /nfs/dbraw/zinc/14/23/37/988142337.db2.gz IMMDZIJRSMWGQK-SNVBAGLBSA-N 1 2 239.319 1.111 20 0 BDADLO CC1(C)C[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CO1 ZINC001246603449 988214180 /nfs/dbraw/zinc/21/41/80/988214180.db2.gz YTVWKDKWIWSMGA-BDAKNGLRSA-N 1 2 234.290 1.222 20 0 BDADLO C[NH+](C)Cc1nnc([C@@H]2C[C@H]2C(F)(F)F)o1 ZINC001118371647 988265320 /nfs/dbraw/zinc/26/53/20/988265320.db2.gz DRQUCVQXVJYUQE-PHDIDXHHSA-N 1 2 235.209 1.797 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\c2ccco2)o1 ZINC001322582359 988334958 /nfs/dbraw/zinc/33/49/58/988334958.db2.gz IZKALKDMMSXPLG-WAYWQWQTSA-N 1 2 219.244 1.895 20 0 BDADLO CC(=O)NC/C=C/C[NH2+][C@@H](C)c1ncc(C)o1 ZINC001497512120 988385186 /nfs/dbraw/zinc/38/51/86/988385186.db2.gz MICBOHZMJJPZMJ-YEZKRMTDSA-N 1 2 237.303 1.326 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnc[nH]2)CC12CCC2 ZINC001118558647 988435777 /nfs/dbraw/zinc/43/57/77/988435777.db2.gz QPOOVHFUSAQOFW-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)CC12CCC2 ZINC001118558647 988435781 /nfs/dbraw/zinc/43/57/81/988435781.db2.gz QPOOVHFUSAQOFW-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO CN(Cc1cscn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001118564106 988442566 /nfs/dbraw/zinc/44/25/66/988442566.db2.gz YKIQRQRKFJRSJY-UHFFFAOYSA-N 1 2 236.300 1.067 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](C2CC2)C1)n1cc[nH+]c1 ZINC001323191286 988472981 /nfs/dbraw/zinc/47/29/81/988472981.db2.gz MJNCZGYYOXVNKQ-CMPLNLGQSA-N 1 2 233.315 1.703 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001498906691 988510672 /nfs/dbraw/zinc/51/06/72/988510672.db2.gz JMLCATXCBCEJOQ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@H+]1Cc1conc1C ZINC001498906691 988510684 /nfs/dbraw/zinc/51/06/84/988510684.db2.gz JMLCATXCBCEJOQ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC1(CCC(=O)NC[C@@H]2CC[N@@H+]2CCF)CC1 ZINC001499092975 988533501 /nfs/dbraw/zinc/53/35/01/988533501.db2.gz LHXJGKJRFUKPQO-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO CC1(CCC(=O)NC[C@@H]2CC[N@H+]2CCF)CC1 ZINC001499092975 988533511 /nfs/dbraw/zinc/53/35/11/988533511.db2.gz LHXJGKJRFUKPQO-NSHDSACASA-N 1 2 242.338 1.727 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)[nH]1 ZINC001118794240 988601488 /nfs/dbraw/zinc/60/14/88/988601488.db2.gz WAIKQUMREJBZNZ-JTQLQIEISA-N 1 2 244.298 1.183 20 0 BDADLO CCC(=O)N(C)CCC[N@H+](C)Cc1ccon1 ZINC001502149711 988630897 /nfs/dbraw/zinc/63/08/97/988630897.db2.gz CFFONFSYGSVDBG-UHFFFAOYSA-N 1 2 239.319 1.365 20 0 BDADLO CCC(=O)N(C)CCC[N@@H+](C)Cc1ccon1 ZINC001502149711 988630904 /nfs/dbraw/zinc/63/09/04/988630904.db2.gz CFFONFSYGSVDBG-UHFFFAOYSA-N 1 2 239.319 1.365 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(F)F ZINC001548717909 988656679 /nfs/dbraw/zinc/65/66/79/988656679.db2.gz QFCOWBNMSBUQDA-SFYZADRCSA-N 1 2 243.257 1.215 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001324290730 988783313 /nfs/dbraw/zinc/78/33/13/988783313.db2.gz GMAUULLEJTZOCG-QWHCGFSZSA-N 1 2 247.342 1.922 20 0 BDADLO CCCc1n[nH]cc1C(=O)NCc1c[nH+]cn1C ZINC001119049370 988818286 /nfs/dbraw/zinc/81/82/86/988818286.db2.gz ZFLKBDVTEUASPI-UHFFFAOYSA-N 1 2 247.302 1.026 20 0 BDADLO OCCc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001247009752 988837228 /nfs/dbraw/zinc/83/72/28/988837228.db2.gz DFSNWRYIHAFJIB-UHFFFAOYSA-N 1 2 204.229 1.033 20 0 BDADLO Fc1ccnc(-c2noc(Cc3c[nH]c[nH+]3)n2)c1 ZINC001247138761 988852538 /nfs/dbraw/zinc/85/25/38/988852538.db2.gz ZQPKINQRMLBKNW-UHFFFAOYSA-N 1 2 245.217 1.585 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC001119260608 988867617 /nfs/dbraw/zinc/86/76/17/988867617.db2.gz FWHAPABRWIWGDY-SNVBAGLBSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)OC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC001119260608 988867630 /nfs/dbraw/zinc/86/76/30/988867630.db2.gz FWHAPABRWIWGDY-SNVBAGLBSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001119270589 988874238 /nfs/dbraw/zinc/87/42/38/988874238.db2.gz MWAPZTCNILKIIS-YPMHNXCESA-N 1 2 241.331 1.629 20 0 BDADLO O=C([O-])[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC001601794505 988889744 /nfs/dbraw/zinc/88/97/44/988889744.db2.gz WOLTYQKXGYEIFN-VWYCJHECSA-N 1 2 249.314 1.041 20 0 BDADLO [NH3+][C@@H](CO)c1nc(-c2ccc3occc3c2)no1 ZINC001247608215 988944609 /nfs/dbraw/zinc/94/46/09/988944609.db2.gz KUSHWEZKANMFAX-VIFPVBQESA-N 1 2 245.238 1.475 20 0 BDADLO O=C(Nc1ccns1)N1CCn2c[nH+]cc2C1 ZINC001119390470 989033527 /nfs/dbraw/zinc/03/35/27/989033527.db2.gz XPASUBBZJLKMSR-UHFFFAOYSA-N 1 2 249.299 1.387 20 0 BDADLO CCOC(=O)C[N@H+](C)C1CC(OC(C)C)C1 ZINC001325008563 989054913 /nfs/dbraw/zinc/05/49/13/989054913.db2.gz RDODYUVAHDJRJB-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)C[N@@H+](C)C1CC(OC(C)C)C1 ZINC001325008563 989054928 /nfs/dbraw/zinc/05/49/28/989054928.db2.gz RDODYUVAHDJRJB-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(C)c(C)c2)no1 ZINC001248184041 989081121 /nfs/dbraw/zinc/08/11/21/989081121.db2.gz JCUZIZRMSNSQLQ-NSHDSACASA-N 1 2 247.298 2.000 20 0 BDADLO CC[C@@]1(O)CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001515658380 989094972 /nfs/dbraw/zinc/09/49/72/989094972.db2.gz GROOERXHIGENEK-GFCCVEGCSA-N 1 2 224.279 1.880 20 0 BDADLO CC[NH+](CC)Cc1nc(-c2cccc(=O)[nH]2)no1 ZINC001119521574 989124818 /nfs/dbraw/zinc/12/48/18/989124818.db2.gz CSASGLCGQXHNIT-UHFFFAOYSA-N 1 2 248.286 1.679 20 0 BDADLO Cn1c(=O)cccc1C[NH+]1CC(C(F)F)C1 ZINC001248809749 989173296 /nfs/dbraw/zinc/17/32/96/989173296.db2.gz IOSGKVJXPQPFQO-UHFFFAOYSA-N 1 2 228.242 1.082 20 0 BDADLO COCCC(C)(C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001325407775 989181228 /nfs/dbraw/zinc/18/12/28/989181228.db2.gz XKNMTQJANPSPPH-SNVBAGLBSA-N 1 2 239.319 1.375 20 0 BDADLO Cc1cc(C[NH2+]Cc2nc3c(s2)CCC3)[nH]n1 ZINC001119599154 989211418 /nfs/dbraw/zinc/21/14/18/989211418.db2.gz BWIMVKUMNQWPOY-UHFFFAOYSA-N 1 2 248.355 1.953 20 0 BDADLO CCO[C@@H]1C[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001325803973 989268573 /nfs/dbraw/zinc/26/85/73/989268573.db2.gz ZXKHDVAISZVRSH-HTQZYQBOSA-N 1 2 211.265 1.024 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cnnn1C ZINC001119637158 989274265 /nfs/dbraw/zinc/27/42/65/989274265.db2.gz YJEGHDKGGJCHKR-KXUCPTDWSA-N 1 2 246.318 1.368 20 0 BDADLO CCn1c[nH+]cc1COC(=O)CC[C@@H](C)OC ZINC001518049133 989274577 /nfs/dbraw/zinc/27/45/77/989274577.db2.gz SBCRJRXHMFJUSG-SNVBAGLBSA-N 1 2 240.303 1.761 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H](C)C1CC1 ZINC001518050515 989275700 /nfs/dbraw/zinc/27/57/00/989275700.db2.gz ZTDQCDNKKFBZNX-SECBINFHSA-N 1 2 222.288 1.992 20 0 BDADLO CCn1c[nH+]cc1COC(=O)C1(CC)COC1 ZINC001518047607 989277459 /nfs/dbraw/zinc/27/74/59/989277459.db2.gz GYUOKPDXNAONEU-UHFFFAOYSA-N 1 2 238.287 1.373 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)OC(C)C)C1 ZINC001325873277 989292072 /nfs/dbraw/zinc/29/20/72/989292072.db2.gz BYFPKJMRLOLFDM-AOOOYVTPSA-N 1 2 215.293 1.047 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)OC(C)C)C1 ZINC001325873277 989292074 /nfs/dbraw/zinc/29/20/74/989292074.db2.gz BYFPKJMRLOLFDM-AOOOYVTPSA-N 1 2 215.293 1.047 20 0 BDADLO C[C@H](C(=O)N1CC2(C1)CCCC2)n1cc[nH+]c1 ZINC001325901988 989303728 /nfs/dbraw/zinc/30/37/28/989303728.db2.gz AGHNJVOZPOVSOR-LLVKDONJSA-N 1 2 233.315 1.847 20 0 BDADLO C[C@@H](c1nc(Cc2cn[nH]c2)no1)n1cc[nH+]c1 ZINC001119688315 989336586 /nfs/dbraw/zinc/33/65/86/989336586.db2.gz ZHAKQIXOWWXMST-QMMMGPOBSA-N 1 2 244.258 1.189 20 0 BDADLO C[C@H]1CCSCC[N@@H+]1Cc1nncs1 ZINC001119766183 989391302 /nfs/dbraw/zinc/39/13/02/989391302.db2.gz QXVSJDBFGJTSEJ-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO C[C@H]1CCSCC[N@H+]1Cc1nncs1 ZINC001119766183 989391318 /nfs/dbraw/zinc/39/13/18/989391318.db2.gz QXVSJDBFGJTSEJ-QMMMGPOBSA-N 1 2 229.374 1.866 20 0 BDADLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@@H]1F ZINC001519042239 989373671 /nfs/dbraw/zinc/37/36/71/989373671.db2.gz VPNGPFGZYPEIOY-OLZOCXBDSA-N 1 2 248.301 1.476 20 0 BDADLO CCCC(=O)OCCCc1c[nH+]cn1C ZINC001519059438 989375861 /nfs/dbraw/zinc/37/58/61/989375861.db2.gz BQPNTVIUNJGDAY-UHFFFAOYSA-N 1 2 210.277 1.696 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCN(C)[C@H](C)C1 ZINC001119771881 989397611 /nfs/dbraw/zinc/39/76/11/989397611.db2.gz SOJAEVAEKKXUQM-TUAOUCFPSA-N 1 2 242.363 1.210 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCN(C)[C@H](C)C1 ZINC001119771881 989397623 /nfs/dbraw/zinc/39/76/23/989397623.db2.gz SOJAEVAEKKXUQM-TUAOUCFPSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)(COC(=O)c1ncccn1)n1cc[nH+]c1 ZINC001519584578 989434129 /nfs/dbraw/zinc/43/41/29/989434129.db2.gz UCTWVXNWZFYJPR-UHFFFAOYSA-N 1 2 246.270 1.265 20 0 BDADLO COC/C(C)=C\C[NH2+][C@@H](C)c1ncn(C)n1 ZINC001119841106 989434464 /nfs/dbraw/zinc/43/44/64/989434464.db2.gz RWRQIAHJVTWFGL-BSKOKIOFSA-N 1 2 224.308 1.058 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001520153173 989516838 /nfs/dbraw/zinc/51/68/38/989516838.db2.gz OETORIZLNQODRG-NXEZZACHSA-N 1 2 221.304 1.267 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C)[nH]n2)C[C@H]1C ZINC001326450687 989563764 /nfs/dbraw/zinc/56/37/64/989563764.db2.gz AZZQHPFMPSKTOY-BXKDBHETSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)C[C@H]1C ZINC001326450687 989563769 /nfs/dbraw/zinc/56/37/69/989563769.db2.gz AZZQHPFMPSKTOY-BXKDBHETSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001120086171 989594263 /nfs/dbraw/zinc/59/42/63/989594263.db2.gz SDMFBDOEPYQWSZ-GMTAPVOTSA-N 1 2 237.303 1.080 20 0 BDADLO CCC[C@H](C)CC(=O)NCCc1[nH+]ccn1C ZINC001520844184 989610533 /nfs/dbraw/zinc/61/05/33/989610533.db2.gz QYWAUUMVASQBMZ-NSHDSACASA-N 1 2 237.347 1.905 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cnc(C)s2)c1 ZINC001120256287 989618391 /nfs/dbraw/zinc/61/83/91/989618391.db2.gz VERNUCYIUQTSAF-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CO[C@@H]1CCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC001120704826 989839720 /nfs/dbraw/zinc/83/97/20/989839720.db2.gz NCCKNEXDNMXRGY-MWLCHTKSSA-N 1 2 237.303 1.149 20 0 BDADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)C1(C)CC1 ZINC001120805653 989889779 /nfs/dbraw/zinc/88/97/79/989889779.db2.gz KGZUBHOHXDWNPR-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CCc1ccc(N2CC[C@@H](O)[C@@H](C)C2)[nH+]c1 ZINC001120920740 989965449 /nfs/dbraw/zinc/96/54/49/989965449.db2.gz LYMRHEZNALDDRJ-CMPLNLGQSA-N 1 2 220.316 1.851 20 0 BDADLO CCc1ccc(N2CC[C@@H](O)[C@H](C)C2)[nH+]c1 ZINC001120920743 989966214 /nfs/dbraw/zinc/96/62/14/989966214.db2.gz LYMRHEZNALDDRJ-ZYHUDNBSSA-N 1 2 220.316 1.851 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)C[C@H](C2CC2)O1 ZINC001120929580 989972625 /nfs/dbraw/zinc/97/26/25/989972625.db2.gz VWYUOTUPEGMPBG-PSASIEDQSA-N 1 2 234.303 1.063 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)C[C@@H](C2CC2)O1 ZINC001120929581 989975727 /nfs/dbraw/zinc/97/57/27/989975727.db2.gz VWYUOTUPEGMPBG-SCZZXKLOSA-N 1 2 234.303 1.063 20 0 BDADLO Cc1[nH]c(CNc2cnc(F)cn2)[nH+]c1C ZINC001120960610 989991883 /nfs/dbraw/zinc/99/18/83/989991883.db2.gz VVSJDGRCCDRCKS-UHFFFAOYSA-N 1 2 221.239 1.568 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC001524816121 990018029 /nfs/dbraw/zinc/01/80/29/990018029.db2.gz SFMXJNOMCJIFAN-GMXVVIOVSA-N 1 2 247.342 1.515 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CC1CCOCC1 ZINC001121230921 990053968 /nfs/dbraw/zinc/05/39/68/990053968.db2.gz FZDJAYWDWNLHMM-UHFFFAOYSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1cc(NC(=O)NCCC(F)F)c(C)c[nH+]1 ZINC001526818644 990177479 /nfs/dbraw/zinc/17/74/79/990177479.db2.gz PGZUTTQWURNRQO-UHFFFAOYSA-N 1 2 243.257 1.897 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001527011296 990198724 /nfs/dbraw/zinc/19/87/24/990198724.db2.gz ARNYOGZOOGCDAU-KOLCDFICSA-N 1 2 238.287 1.371 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1C=CCC1 ZINC001529222288 990338653 /nfs/dbraw/zinc/33/86/53/990338653.db2.gz GFDHJYCGTDAOPP-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO CC(C)(COC(=O)c1cccnc1)n1cc[nH+]c1 ZINC001123056513 990500047 /nfs/dbraw/zinc/50/00/47/990500047.db2.gz UKWCYOPTWBAWQN-UHFFFAOYSA-N 1 2 245.282 1.870 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H](OC)C(C)C ZINC001123472573 990589399 /nfs/dbraw/zinc/58/93/99/990589399.db2.gz JFTOHQMMBDQFOU-NSHDSACASA-N 1 2 240.303 1.617 20 0 BDADLO CC1=CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001123871706 990689996 /nfs/dbraw/zinc/68/99/96/990689996.db2.gz NLWQCBDKHCBELJ-UHFFFAOYSA-N 1 2 233.315 1.531 20 0 BDADLO Cc1cccc(N(C)C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001544413735 990721793 /nfs/dbraw/zinc/72/17/93/990721793.db2.gz HMDUELYFQOAUDU-UHFFFAOYSA-N 1 2 244.298 1.709 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCCc1[nH+]ccn1C ZINC001124010795 990732383 /nfs/dbraw/zinc/73/23/83/990732383.db2.gz LOGYMJSZWDZRKY-RISCZKNCSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CCC[C@@]1(C)C(=O)NCCc1[nH+]ccn1C ZINC001124010797 990733061 /nfs/dbraw/zinc/73/30/61/990733061.db2.gz LOGYMJSZWDZRKY-SMDDNHRTSA-N 1 2 249.358 1.905 20 0 BDADLO CCC/C(C)=C/C(=O)NCCc1[nH+]ccn1C ZINC001124080201 990747257 /nfs/dbraw/zinc/74/72/57/990747257.db2.gz IVYQRXCVQPNZIL-ZHACJKMWSA-N 1 2 235.331 1.825 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)CCc1[nH+]ccn1C ZINC001548663203 990777947 /nfs/dbraw/zinc/77/79/47/990777947.db2.gz YUWAFCDABATCGD-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(F)(F)F ZINC001556259170 990815562 /nfs/dbraw/zinc/81/55/62/990815562.db2.gz OXBHWALXXHTOJW-QMMMGPOBSA-N 1 2 249.236 1.718 20 0 BDADLO Cc1cnc(C[NH2+]CCNC(=O)/C=C/C2CC2)o1 ZINC001125260694 990821838 /nfs/dbraw/zinc/82/18/38/990821838.db2.gz OPLYJOHXEBSMSB-SNAWJCMRSA-N 1 2 249.314 1.155 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001556375215 990824884 /nfs/dbraw/zinc/82/48/84/990824884.db2.gz CWIRBHBOAHIVNT-GDGBQDQQSA-N 1 2 219.288 1.175 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)NCCCCCC(C)=O ZINC001556601484 990835218 /nfs/dbraw/zinc/83/52/18/990835218.db2.gz MLUOJGZKJNNOIH-GFCCVEGCSA-N 1 2 240.347 1.346 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)NCCCCCC(C)=O ZINC001556601484 990835221 /nfs/dbraw/zinc/83/52/21/990835221.db2.gz MLUOJGZKJNNOIH-GFCCVEGCSA-N 1 2 240.347 1.346 20 0 BDADLO Fc1ccc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001137742700 990847831 /nfs/dbraw/zinc/84/78/31/990847831.db2.gz FLEONXZPAIVZFC-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1ccc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001137742700 990847840 /nfs/dbraw/zinc/84/78/40/990847840.db2.gz FLEONXZPAIVZFC-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Cc1ccc(C[NH+]2CC(CO)C2)c(F)c1F ZINC001137968852 990874161 /nfs/dbraw/zinc/87/41/61/990874161.db2.gz VPCJLAJWVFUQSS-UHFFFAOYSA-N 1 2 227.254 1.697 20 0 BDADLO Nc1[nH+]ccc2c1CN(C(=O)c1ccc[nH]1)CC2 ZINC001557842539 990913284 /nfs/dbraw/zinc/91/32/84/990913284.db2.gz VLROHXKBYKZCSN-UHFFFAOYSA-N 1 2 242.282 1.190 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841276 990914190 /nfs/dbraw/zinc/91/41/90/990914190.db2.gz GRTPGNCCOIQLHA-SNVBAGLBSA-N 1 2 247.342 1.841 20 0 BDADLO COc1ccc(C[NH+]2CC(CO)C2)cc1Cl ZINC001138475357 990955186 /nfs/dbraw/zinc/95/51/86/990955186.db2.gz ZESFCYWOXMAPIQ-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO COc1ccc(C)cc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001138487792 990958673 /nfs/dbraw/zinc/95/86/73/990958673.db2.gz LGQVVVVGEMCVRN-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001138487792 990958686 /nfs/dbraw/zinc/95/86/86/990958686.db2.gz LGQVVVVGEMCVRN-BETUJISGSA-N 1 2 233.311 1.977 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2ccc[nH]2)[nH+]1 ZINC001558559735 990966035 /nfs/dbraw/zinc/96/60/35/990966035.db2.gz BGRLKJBFFMEFOQ-UHFFFAOYSA-N 1 2 232.287 1.791 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2ccc[nH]2)c[nH+]1 ZINC001558559735 990966042 /nfs/dbraw/zinc/96/60/42/990966042.db2.gz BGRLKJBFFMEFOQ-UHFFFAOYSA-N 1 2 232.287 1.791 20 0 BDADLO COCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558559684 990966476 /nfs/dbraw/zinc/96/64/76/990966476.db2.gz APBAIQCBFYZBDP-UHFFFAOYSA-N 1 2 225.292 1.186 20 0 BDADLO COCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558559684 990966488 /nfs/dbraw/zinc/96/64/88/990966488.db2.gz APBAIQCBFYZBDP-UHFFFAOYSA-N 1 2 225.292 1.186 20 0 BDADLO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)s1 ZINC001138493675 990967024 /nfs/dbraw/zinc/96/70/24/990967024.db2.gz SSPLRZYMRDOUCZ-AOOOYVTPSA-N 1 2 238.356 1.787 20 0 BDADLO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)s1 ZINC001138493675 990967035 /nfs/dbraw/zinc/96/70/35/990967035.db2.gz SSPLRZYMRDOUCZ-AOOOYVTPSA-N 1 2 238.356 1.787 20 0 BDADLO CCCc1ccc(C[NH+]2CC(O)C2)s1 ZINC001138524027 990968622 /nfs/dbraw/zinc/96/86/22/990968622.db2.gz YLVVUDUILHLKRW-UHFFFAOYSA-N 1 2 211.330 1.877 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC001258079364 990978078 /nfs/dbraw/zinc/97/80/78/990978078.db2.gz OJLDYLXGHBLKDZ-NEPJUHHUSA-N 1 2 243.347 1.635 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1C ZINC001138648675 990997159 /nfs/dbraw/zinc/99/71/59/990997159.db2.gz YYZKBIDUAZCFTF-CHWSQXEVSA-N 1 2 249.358 1.883 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1C ZINC001138648675 990997162 /nfs/dbraw/zinc/99/71/62/990997162.db2.gz YYZKBIDUAZCFTF-CHWSQXEVSA-N 1 2 249.358 1.883 20 0 BDADLO CCN1CC[C@@H]1C[NH2+]Cc1nn(C)cc1Cl ZINC001308501613 991011492 /nfs/dbraw/zinc/01/14/92/991011492.db2.gz SZOXNAWDLFBOKG-SECBINFHSA-N 1 2 242.754 1.257 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cnc3[nH]ccc3c2)C[C@@H]1F ZINC001138736902 991023228 /nfs/dbraw/zinc/02/32/28/991023228.db2.gz IZXNUOGWRVKDHD-WDEREUQCSA-N 1 2 235.262 1.078 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2)C[C@@H]1F ZINC001138736902 991023239 /nfs/dbraw/zinc/02/32/39/991023239.db2.gz IZXNUOGWRVKDHD-WDEREUQCSA-N 1 2 235.262 1.078 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138892346 991096112 /nfs/dbraw/zinc/09/61/12/991096112.db2.gz MYKRYGACZODCKS-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2cc(F)cnc2Cl)C1 ZINC001138892346 991096118 /nfs/dbraw/zinc/09/61/18/991096118.db2.gz MYKRYGACZODCKS-MRVPVSSYSA-N 1 2 244.697 1.688 20 0 BDADLO COC(=O)[C@H]1C[N@H+](Cc2nc(C)c[nH]2)CC12CC2 ZINC001138941330 991107923 /nfs/dbraw/zinc/10/79/23/991107923.db2.gz FEXRQURHFNPQLR-SNVBAGLBSA-N 1 2 249.314 1.103 20 0 BDADLO COC(=O)[C@H]1C[N@@H+](Cc2nc(C)c[nH]2)CC12CC2 ZINC001138941330 991107926 /nfs/dbraw/zinc/10/79/26/991107926.db2.gz FEXRQURHFNPQLR-SNVBAGLBSA-N 1 2 249.314 1.103 20 0 BDADLO CCC(=O)Oc1ccc(C[NH+]2CCOCC2)cc1 ZINC001138963265 991112530 /nfs/dbraw/zinc/11/25/30/991112530.db2.gz ZNSNRTAHVBKDAG-UHFFFAOYSA-N 1 2 249.310 1.834 20 0 BDADLO COc1nc(C[N@@H+]2CC[C@@H](F)C2)ccc1C ZINC001308772091 991128007 /nfs/dbraw/zinc/12/80/07/991128007.db2.gz OIZRKNWEFSLCEK-SNVBAGLBSA-N 1 2 224.279 1.942 20 0 BDADLO COc1nc(C[N@H+]2CC[C@@H](F)C2)ccc1C ZINC001308772091 991128009 /nfs/dbraw/zinc/12/80/09/991128009.db2.gz OIZRKNWEFSLCEK-SNVBAGLBSA-N 1 2 224.279 1.942 20 0 BDADLO Cc1n[nH]c(C)c1C[NH+]1CC2(C1)CCCCO2 ZINC001139095947 991140248 /nfs/dbraw/zinc/14/02/48/991140248.db2.gz NDHPZKQURDWFIT-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO Cc1cccc2[nH]cc(C[N@@H+]3CCNC(=O)C3)c21 ZINC001139191258 991189286 /nfs/dbraw/zinc/18/92/86/991189286.db2.gz MDUPYKLVWOYLQB-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO Cc1cccc2[nH]cc(C[N@H+]3CCNC(=O)C3)c21 ZINC001139191258 991189299 /nfs/dbraw/zinc/18/92/99/991189299.db2.gz MDUPYKLVWOYLQB-UHFFFAOYSA-N 1 2 243.310 1.408 20 0 BDADLO CCCn1c[nH+]cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001308899489 991210699 /nfs/dbraw/zinc/21/06/99/991210699.db2.gz WDTLHEKBJYEOTM-BETUJISGSA-N 1 2 235.331 1.656 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1C ZINC001308940383 991222984 /nfs/dbraw/zinc/22/29/84/991222984.db2.gz ZFNSIYIGYIBXLV-NTZNESFSSA-N 1 2 235.331 1.229 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CCC[C@@H](C)O)no1 ZINC001559731696 991233625 /nfs/dbraw/zinc/23/36/25/991233625.db2.gz UBRSFIWAILBLSB-SFYZADRCSA-N 1 2 213.281 1.190 20 0 BDADLO CC1C[NH+](Cc2cn3c(cccc3F)n2)C1 ZINC001139570757 991272268 /nfs/dbraw/zinc/27/22/68/991272268.db2.gz NCVISAJMLQOYLK-UHFFFAOYSA-N 1 2 219.263 1.925 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+][C@H](C)CCC(=O)OC ZINC001258351504 991283141 /nfs/dbraw/zinc/28/31/41/991283141.db2.gz RHKQRVZNUCYMCO-SECBINFHSA-N 1 2 245.319 1.259 20 0 BDADLO CCOc1ccncc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001139632792 991298594 /nfs/dbraw/zinc/29/85/94/991298594.db2.gz UMGLOJIRGHWCDL-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1ccncc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001139632792 991298605 /nfs/dbraw/zinc/29/86/05/991298605.db2.gz UMGLOJIRGHWCDL-CHWSQXEVSA-N 1 2 248.326 1.844 20 0 BDADLO CCOc1ccncc1C[N@@H+]1CC[C@@H]1COC ZINC001139631855 991299074 /nfs/dbraw/zinc/29/90/74/991299074.db2.gz HQNOUNCGXDRBEV-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccncc1C[N@H+]1CC[C@@H]1COC ZINC001139631855 991299090 /nfs/dbraw/zinc/29/90/90/991299090.db2.gz HQNOUNCGXDRBEV-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC1(C)C[NH+](Cc2cnc3c(c2)OCCO3)C1 ZINC001139730952 991345390 /nfs/dbraw/zinc/34/53/90/991345390.db2.gz SKYHOYNBKGUSQG-UHFFFAOYSA-N 1 2 234.299 1.695 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cnc2cccnc2c1 ZINC001139739705 991351760 /nfs/dbraw/zinc/35/17/60/991351760.db2.gz FBDFAFUSRRAOII-UHFFFAOYSA-N 1 2 229.283 1.651 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cnc2cccnc2c1 ZINC001139739705 991351774 /nfs/dbraw/zinc/35/17/74/991351774.db2.gz FBDFAFUSRRAOII-UHFFFAOYSA-N 1 2 229.283 1.651 20 0 BDADLO C=C/C=C/CCNC(=O)NCc1ccc[nH+]c1N ZINC001313227958 991379853 /nfs/dbraw/zinc/37/98/53/991379853.db2.gz KMLPEVAIAADEKV-ONEGZZNKSA-N 1 2 246.314 1.595 20 0 BDADLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2nccn2C)C1 ZINC001560143886 991390976 /nfs/dbraw/zinc/39/09/76/991390976.db2.gz MGKGNNNDVDESOX-SNVBAGLBSA-N 1 2 245.330 1.338 20 0 BDADLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2nccn2C)C1 ZINC001560143886 991390985 /nfs/dbraw/zinc/39/09/85/991390985.db2.gz MGKGNNNDVDESOX-SNVBAGLBSA-N 1 2 245.330 1.338 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)nc1 ZINC001139837728 991395295 /nfs/dbraw/zinc/39/52/95/991395295.db2.gz SKLGNDJMOZDHJO-NEPJUHHUSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)nc1 ZINC001139837728 991395303 /nfs/dbraw/zinc/39/53/03/991395303.db2.gz SKLGNDJMOZDHJO-NEPJUHHUSA-N 1 2 238.306 1.542 20 0 BDADLO C[C@H](CC1CC1)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001258451138 991400039 /nfs/dbraw/zinc/40/00/39/991400039.db2.gz HLOWGFGSQRDVBJ-KOLCDFICSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ccncn2)cn1 ZINC001139933482 991423041 /nfs/dbraw/zinc/42/30/41/991423041.db2.gz CUEVXWOHIXKOSK-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ccncn2)cn1 ZINC001139933482 991423046 /nfs/dbraw/zinc/42/30/46/991423046.db2.gz CUEVXWOHIXKOSK-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO c1ccc2c(c1)C[NH+](Cc1ccnnc1)C2 ZINC001139980603 991451897 /nfs/dbraw/zinc/45/18/97/991451897.db2.gz USUWOCNOSSOVMQ-UHFFFAOYSA-N 1 2 211.268 1.992 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnnc1 ZINC001139984046 991463021 /nfs/dbraw/zinc/46/30/21/991463021.db2.gz TVDZLDAULUVCKI-LLVKDONJSA-N 1 2 207.277 1.087 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnnc1 ZINC001139984046 991463024 /nfs/dbraw/zinc/46/30/24/991463024.db2.gz TVDZLDAULUVCKI-LLVKDONJSA-N 1 2 207.277 1.087 20 0 BDADLO CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC001317223992 991465313 /nfs/dbraw/zinc/46/53/13/991465313.db2.gz XOYIPFXQQLGEMK-YUMQZZPRSA-N 1 2 242.348 1.103 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2ccnnc2)CCO1 ZINC001139985817 991465493 /nfs/dbraw/zinc/46/54/93/991465493.db2.gz ZDOQCYMZGVCNMQ-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2ccnnc2)CCO1 ZINC001139985817 991465501 /nfs/dbraw/zinc/46/55/01/991465501.db2.gz ZDOQCYMZGVCNMQ-LBPRGKRZSA-N 1 2 221.304 1.333 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001258502083 991469246 /nfs/dbraw/zinc/46/92/46/991469246.db2.gz CZDDQJWMNJJZPO-AXFHLTTASA-N 1 2 227.304 1.191 20 0 BDADLO CCOC(=O)CC[C@H](C)[N@H+]1CCO[C@H]2C[C@H]21 ZINC001258502083 991469254 /nfs/dbraw/zinc/46/92/54/991469254.db2.gz CZDDQJWMNJJZPO-AXFHLTTASA-N 1 2 227.304 1.191 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139987730 991470995 /nfs/dbraw/zinc/47/09/95/991470995.db2.gz BXIFJXOKAXFKTO-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)nc1 ZINC001139987730 991470996 /nfs/dbraw/zinc/47/09/96/991470996.db2.gz BXIFJXOKAXFKTO-APPZFPTMSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@]1(F)CCC[N@H+](Cc2nccnc2N)C1 ZINC001140008250 991472746 /nfs/dbraw/zinc/47/27/46/991472746.db2.gz OLPXNRWIVTXDAZ-LLVKDONJSA-N 1 2 224.283 1.383 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](Cc2nccnc2N)C1 ZINC001140008250 991472750 /nfs/dbraw/zinc/47/27/50/991472750.db2.gz OLPXNRWIVTXDAZ-LLVKDONJSA-N 1 2 224.283 1.383 20 0 BDADLO CSc1nccc(C[NH+]2CCSCC2)n1 ZINC001140034395 991489077 /nfs/dbraw/zinc/48/90/77/991489077.db2.gz MBMZYEBCKLBZBO-UHFFFAOYSA-N 1 2 241.385 1.747 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001140051013 991504604 /nfs/dbraw/zinc/50/46/04/991504604.db2.gz RYXKHAGOPPCUCR-RYUDHWBXSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001140051013 991504615 /nfs/dbraw/zinc/50/46/15/991504615.db2.gz RYXKHAGOPPCUCR-RYUDHWBXSA-N 1 2 243.253 1.436 20 0 BDADLO CC1(C)CC[C@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001258605291 991519624 /nfs/dbraw/zinc/51/96/24/991519624.db2.gz STQXXCACMRHFRW-VIFPVBQESA-N 1 2 231.361 1.294 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccc(F)n2)CC[C@@H]1F ZINC001140129899 991531926 /nfs/dbraw/zinc/53/19/26/991531926.db2.gz BFNRZNOKUDNMRK-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccc(F)n2)CC[C@@H]1F ZINC001140129899 991531938 /nfs/dbraw/zinc/53/19/38/991531938.db2.gz BFNRZNOKUDNMRK-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258625482 991563859 /nfs/dbraw/zinc/56/38/59/991563859.db2.gz WHIGZIBFVHDLLG-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258625482 991563873 /nfs/dbraw/zinc/56/38/73/991563873.db2.gz WHIGZIBFVHDLLG-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO Oc1cnccc1C[N@H+](C1CC1)C1COC1 ZINC001140276625 991573098 /nfs/dbraw/zinc/57/30/98/991573098.db2.gz IFXUPMIUFPRJJB-UHFFFAOYSA-N 1 2 220.272 1.150 20 0 BDADLO Oc1cnccc1C[N@@H+](C1CC1)C1COC1 ZINC001140276625 991573106 /nfs/dbraw/zinc/57/31/06/991573106.db2.gz IFXUPMIUFPRJJB-UHFFFAOYSA-N 1 2 220.272 1.150 20 0 BDADLO COC1(C)C[NH+](Cc2ccncc2O)C1 ZINC001140275062 991576399 /nfs/dbraw/zinc/57/63/99/991576399.db2.gz KHPIPARYIZULPR-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1cc[nH+]c1 ZINC001318007406 991608877 /nfs/dbraw/zinc/60/88/77/991608877.db2.gz HPSMNQFRFYEWAR-TUAOUCFPSA-N 1 2 235.331 1.949 20 0 BDADLO C[C@@H](C(=O)N(C)CCC(F)(F)F)n1cc[nH+]c1 ZINC001318097662 991623297 /nfs/dbraw/zinc/62/32/97/991623297.db2.gz ZELUAOUGFBSKOZ-QMMMGPOBSA-N 1 2 249.236 1.855 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@H](C)Cc2ccno2)no1 ZINC001560862422 991628369 /nfs/dbraw/zinc/62/83/69/991628369.db2.gz NXLHVWJWFBUKQD-HTQZYQBOSA-N 1 2 236.275 1.648 20 0 BDADLO c1[nH]nc2ccc(C[NH+]3CC4(CCO4)C3)cc12 ZINC001140386002 991630223 /nfs/dbraw/zinc/63/02/23/991630223.db2.gz LZVBTRLWSIAKJP-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO CCn1ccc(C[NH+]2CC(C)(CCOC)C2)n1 ZINC001560877182 991636447 /nfs/dbraw/zinc/63/64/47/991636447.db2.gz MJNJQRBORMCCTJ-UHFFFAOYSA-N 1 2 237.347 1.761 20 0 BDADLO COc1cc(F)cc(C[N@H+](C)CC(C)=O)c1 ZINC001140477525 991652211 /nfs/dbraw/zinc/65/22/11/991652211.db2.gz FSHHGCVJINOLQN-UHFFFAOYSA-N 1 2 225.263 1.855 20 0 BDADLO COc1cc(F)cc(C[N@@H+](C)CC(C)=O)c1 ZINC001140477525 991652217 /nfs/dbraw/zinc/65/22/17/991652217.db2.gz FSHHGCVJINOLQN-UHFFFAOYSA-N 1 2 225.263 1.855 20 0 BDADLO COc1cc(F)cc(C[N@H+](C)C2COC2)c1 ZINC001140482954 991655527 /nfs/dbraw/zinc/65/55/27/991655527.db2.gz HKLYQBLJCJVPNB-UHFFFAOYSA-N 1 2 225.263 1.665 20 0 BDADLO COc1cc(F)cc(C[N@@H+](C)C2COC2)c1 ZINC001140482954 991655532 /nfs/dbraw/zinc/65/55/32/991655532.db2.gz HKLYQBLJCJVPNB-UHFFFAOYSA-N 1 2 225.263 1.665 20 0 BDADLO CCC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)CC ZINC001318660173 991696278 /nfs/dbraw/zinc/69/62/78/991696278.db2.gz FAWXZRIHVYHILJ-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO CCC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)CC ZINC001318660173 991696279 /nfs/dbraw/zinc/69/62/79/991696279.db2.gz FAWXZRIHVYHILJ-LBPRGKRZSA-N 1 2 241.331 1.773 20 0 BDADLO Cc1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2)n1C ZINC001318771958 991712060 /nfs/dbraw/zinc/71/20/60/991712060.db2.gz KWFNDOWYVNNZBE-NSHDSACASA-N 1 2 246.314 1.407 20 0 BDADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cncs1 ZINC001319195062 991812524 /nfs/dbraw/zinc/81/25/24/991812524.db2.gz PMDMSPRNXRBFMN-QMMMGPOBSA-N 1 2 249.343 1.532 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC001258811430 991820569 /nfs/dbraw/zinc/82/05/69/991820569.db2.gz YONWENOJEWJYQV-CHWFTXMASA-N 1 2 229.320 1.077 20 0 BDADLO C[C@H](C(=O)N1CCC1(C)C)n1cc[nH+]c1 ZINC001319319268 991840168 /nfs/dbraw/zinc/84/01/68/991840168.db2.gz ACXDSZUBDOLXRX-SECBINFHSA-N 1 2 207.277 1.455 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCS1 ZINC001566413584 991847017 /nfs/dbraw/zinc/84/70/17/991847017.db2.gz DEQRLUQLVBVQIV-SECBINFHSA-N 1 2 239.344 1.272 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1c(C)cccc1O ZINC001566777496 991877498 /nfs/dbraw/zinc/87/74/98/991877498.db2.gz BHMHMKMXYWRIMH-SNVBAGLBSA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1c(C)cccc1O ZINC001566777496 991877507 /nfs/dbraw/zinc/87/75/07/991877507.db2.gz BHMHMKMXYWRIMH-SNVBAGLBSA-N 1 2 234.299 1.733 20 0 BDADLO CS[C@@H](C)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319653107 991920699 /nfs/dbraw/zinc/92/06/99/991920699.db2.gz LAODIHPTWBHOSY-DTWKUNHWSA-N 1 2 227.333 1.312 20 0 BDADLO CC/C=C(/C)C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001567786111 992091355 /nfs/dbraw/zinc/09/13/55/992091355.db2.gz MRWJAFCAFWAEPQ-SDKXAQGSSA-N 1 2 240.347 1.178 20 0 BDADLO CCOC(=O)C1([NH2+]CCOC(C)C)CCCC1 ZINC001320054991 992093517 /nfs/dbraw/zinc/09/35/17/992093517.db2.gz NHZJKYVWGBFPHE-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCCCCCC(=O)NC1C[NH+](CCOC)C1 ZINC001567815490 992098517 /nfs/dbraw/zinc/09/85/17/992098517.db2.gz QCBCINSFDCXPBF-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccsn1 ZINC001567821353 992103741 /nfs/dbraw/zinc/10/37/41/992103741.db2.gz LOIWJBQSRJSWFJ-QMMMGPOBSA-N 1 2 248.311 1.084 20 0 BDADLO CC[C@H](C)S(=O)(=O)Nc1cc[nH+]c(CO)c1 ZINC001260725279 992138502 /nfs/dbraw/zinc/13/85/02/992138502.db2.gz BTEBOHUQVZBVRG-QMMMGPOBSA-N 1 2 244.316 1.114 20 0 BDADLO CC(=O)NC/C=C/C[NH2+]Cc1nc(C)c(C)o1 ZINC001568804606 992221435 /nfs/dbraw/zinc/22/14/35/992221435.db2.gz TVYPQRHQUNQEHO-SNAWJCMRSA-N 1 2 237.303 1.073 20 0 BDADLO CCC[NH2+][C@H](C)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001261460272 992321620 /nfs/dbraw/zinc/32/16/20/992321620.db2.gz XZGNSEBOKJBGRG-MRVPVSSYSA-N 1 2 239.323 1.255 20 0 BDADLO CC[NH2+]CCCN(C)C(=O)C(F)C(F)(F)F ZINC001569204748 992343760 /nfs/dbraw/zinc/34/37/60/992343760.db2.gz ZUDGQWDQOIAEJX-SSDOTTSWSA-N 1 2 244.232 1.345 20 0 BDADLO CC[NH2+]CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001569204748 992343773 /nfs/dbraw/zinc/34/37/73/992343773.db2.gz ZUDGQWDQOIAEJX-SSDOTTSWSA-N 1 2 244.232 1.345 20 0 BDADLO C[C@H](C(=O)Nc1n[nH]cc1C1CC1)n1cc[nH+]c1 ZINC001261499303 992347897 /nfs/dbraw/zinc/34/78/97/992347897.db2.gz HIBWAKNQSCXXTG-MRVPVSSYSA-N 1 2 245.286 1.683 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@H](C)c1nncn1C ZINC001320914285 992401767 /nfs/dbraw/zinc/40/17/67/992401767.db2.gz BTOZDKFHTPKOHS-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1CCSC1)n1cc[nH+]c1 ZINC001321046011 992438445 /nfs/dbraw/zinc/43/84/45/992438445.db2.gz GBVSUJWURHGQQN-ZJUUUORDSA-N 1 2 239.344 1.313 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cncs2)c2ncnn21 ZINC001261671673 992457884 /nfs/dbraw/zinc/45/78/84/992457884.db2.gz WXTJJVGAKQDAEY-APPZFPTMSA-N 1 2 235.316 1.530 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001321191009 992480832 /nfs/dbraw/zinc/48/08/32/992480832.db2.gz XNJUOTFMSYOUDT-IRSQKABVSA-N 1 2 249.314 1.093 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(Cl)n1 ZINC001261765016 992498160 /nfs/dbraw/zinc/49/81/60/992498160.db2.gz VUDXIGFTJUYOHB-SECBINFHSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(Cl)n1 ZINC001261765016 992498165 /nfs/dbraw/zinc/49/81/65/992498165.db2.gz VUDXIGFTJUYOHB-SECBINFHSA-N 1 2 241.722 1.030 20 0 BDADLO O=C(CCc1ccon1)N[C@@H]1CCn2c[nH+]cc21 ZINC001261783601 992508874 /nfs/dbraw/zinc/50/88/74/992508874.db2.gz RYLJGGYLVBKGFM-SNVBAGLBSA-N 1 2 246.270 1.065 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001261877076 992554148 /nfs/dbraw/zinc/55/41/48/992554148.db2.gz XHJQZSJQTZPSQA-MGAJPHDKSA-N 1 2 245.326 1.517 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001261910175 992573582 /nfs/dbraw/zinc/57/35/82/992573582.db2.gz PXSMBDZZMFRRQY-JLVKAVFRSA-N 1 2 231.299 1.596 20 0 BDADLO O=C(NC/C=C\C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001261910175 992573590 /nfs/dbraw/zinc/57/35/90/992573590.db2.gz PXSMBDZZMFRRQY-JLVKAVFRSA-N 1 2 231.299 1.596 20 0 BDADLO Cc1nc([C@H](C)[NH2+]CC[C@H](O)C(C)C)no1 ZINC001262013674 992602742 /nfs/dbraw/zinc/60/27/42/992602742.db2.gz JHWLNEKCOIHSEM-WPRPVWTQSA-N 1 2 227.308 1.436 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC001262025113 992610931 /nfs/dbraw/zinc/61/09/31/992610931.db2.gz XGJMTCFLJXGEBG-PSASIEDQSA-N 1 2 207.277 1.082 20 0 BDADLO C[N@H+](Cc1ccc(C(=O)[O-])s1)CC(C)(C)[NH3+] ZINC001598516748 992623733 /nfs/dbraw/zinc/62/37/33/992623733.db2.gz OHPIZIUYIIIUDR-UHFFFAOYSA-N 1 2 242.344 1.615 20 0 BDADLO C[N@@H+](Cc1ccc(C(=O)[O-])s1)CC(C)(C)[NH3+] ZINC001598516748 992623740 /nfs/dbraw/zinc/62/37/40/992623740.db2.gz OHPIZIUYIIIUDR-UHFFFAOYSA-N 1 2 242.344 1.615 20 0 BDADLO CCc1cc(N[C@@H]2CC(=O)N(C)C2)nc(CC)[nH+]1 ZINC001262357394 992855102 /nfs/dbraw/zinc/85/51/02/992855102.db2.gz JZZABELYWOEIFS-SNVBAGLBSA-N 1 2 248.330 1.244 20 0 BDADLO CCc1cc(NC/C=C\CO)nc(CC)[nH+]1 ZINC001262371894 992865872 /nfs/dbraw/zinc/86/58/72/992865872.db2.gz ZBSMMDHNBDQBSK-WAYWQWQTSA-N 1 2 221.304 1.562 20 0 BDADLO C[C@@H](C(=O)N[C@H]1COC(C)(C)C1)n1cc[nH+]c1 ZINC001262385318 992875146 /nfs/dbraw/zinc/87/51/46/992875146.db2.gz HKQVUANTAAAJRF-VHSXEESVSA-N 1 2 237.303 1.128 20 0 BDADLO Cc1cc(F)cc(N(CCO)C2CCC2)[nH+]1 ZINC001262692275 993032691 /nfs/dbraw/zinc/03/26/91/993032691.db2.gz DTMLKZNMQPRENG-UHFFFAOYSA-N 1 2 224.279 1.880 20 0 BDADLO CCc1ccc(N(C)C2CC(O)C2)[nH+]c1 ZINC001262690437 993033740 /nfs/dbraw/zinc/03/37/40/993033740.db2.gz AXGNLJXIWQNQSA-UHFFFAOYSA-N 1 2 206.289 1.604 20 0 BDADLO Cc1[nH]c(CNc2cc(F)ncn2)[nH+]c1C ZINC001262705782 993046921 /nfs/dbraw/zinc/04/69/21/993046921.db2.gz SEMNILYQQHVVSY-UHFFFAOYSA-N 1 2 221.239 1.568 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)n1cccn1 ZINC001262805065 993068890 /nfs/dbraw/zinc/06/88/90/993068890.db2.gz CIXDKDPRQAAUIA-LLVKDONJSA-N 1 2 244.298 1.517 20 0 BDADLO CC1(C)CCC[C@H]([NH2+][C@H](CO)c2c[nH]nn2)C1 ZINC001575945185 993135980 /nfs/dbraw/zinc/13/59/80/993135980.db2.gz HIGXYIIDMQHHPI-GXSJLCMTSA-N 1 2 238.335 1.397 20 0 BDADLO CC(C)[NH+]1CC(N[C@@H]2CCC[N@H+](C)CC2)C1 ZINC000379228581 993232098 /nfs/dbraw/zinc/23/20/98/993232098.db2.gz YCEZQBIENSGRNM-GFCCVEGCSA-N 1 2 225.380 1.153 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000381337976 993389352 /nfs/dbraw/zinc/38/93/52/993389352.db2.gz WMYYSZXTENZQAI-VIFPVBQESA-N 1 2 229.320 1.079 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc(CSC)cc[nH+]1 ZINC000381477765 993396843 /nfs/dbraw/zinc/39/68/43/993396843.db2.gz RMVXRQDKRDZEFK-QMMMGPOBSA-N 1 2 239.344 1.491 20 0 BDADLO C[C@@H]1CN(Cc2cccc(N)[nH+]2)CCC1=O ZINC000381578210 993408521 /nfs/dbraw/zinc/40/85/21/993408521.db2.gz ZEVPGTOORSSMNH-SECBINFHSA-N 1 2 219.288 1.075 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1cccn1C ZINC001263663105 993455744 /nfs/dbraw/zinc/45/57/44/993455744.db2.gz UXWYTOCBHJLQGP-UHFFFAOYSA-N 1 2 233.271 1.599 20 0 BDADLO CC(C)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001263770822 993499681 /nfs/dbraw/zinc/49/96/81/993499681.db2.gz PNKGTBVBRCTHJJ-UHFFFAOYSA-N 1 2 235.331 1.467 20 0 BDADLO Cc1cccnc1C(=O)NCCc1[nH+]ccn1C ZINC001263918665 993599632 /nfs/dbraw/zinc/59/96/32/993599632.db2.gz OAHOHCKFDROXPT-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CCC(F)F ZINC001263922304 993605087 /nfs/dbraw/zinc/60/50/87/993605087.db2.gz SRPIRQMTKPVFNL-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC1(C)C ZINC001263921678 993606386 /nfs/dbraw/zinc/60/63/86/993606386.db2.gz BKFWXYGVNSCNPF-JTQLQIEISA-N 1 2 235.331 1.515 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001263987701 993640097 /nfs/dbraw/zinc/64/00/97/993640097.db2.gz SLNNEZXEJDSLFO-AAEUAGOBSA-N 1 2 247.342 1.895 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cncc(C)c1 ZINC000385229265 993656164 /nfs/dbraw/zinc/65/61/64/993656164.db2.gz SIYANGHXMSTAFW-UHFFFAOYSA-N 1 2 230.315 1.896 20 0 BDADLO CC[C@@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC000387284339 993705757 /nfs/dbraw/zinc/70/57/57/993705757.db2.gz GUFZYZPVHYYNTB-SNVBAGLBSA-N 1 2 209.293 1.330 20 0 BDADLO NC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC000390174267 993778926 /nfs/dbraw/zinc/77/89/26/993778926.db2.gz HQXUKTHNCBKOIQ-UHFFFAOYSA-N 1 2 213.240 1.260 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000700432935 993833644 /nfs/dbraw/zinc/83/36/44/993833644.db2.gz GAWPYLXIDHPFBW-NSHDSACASA-N 1 2 221.304 1.050 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000700432935 993833648 /nfs/dbraw/zinc/83/36/48/993833648.db2.gz GAWPYLXIDHPFBW-NSHDSACASA-N 1 2 221.304 1.050 20 0 BDADLO Cc1cc(C)nc(C[NH+]2CCC(C)(O)CC2)n1 ZINC000700425637 993834076 /nfs/dbraw/zinc/83/40/76/993834076.db2.gz MJZLQELIQXXECD-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)c2nccn21 ZINC000393055647 993896933 /nfs/dbraw/zinc/89/69/33/993896933.db2.gz MGRUDFLSPTWJLQ-GXSJLCMTSA-N 1 2 248.330 1.005 20 0 BDADLO Nc1cc(N2CCCC(F)(F)CC2)[nH+]cn1 ZINC000702824649 994050349 /nfs/dbraw/zinc/05/03/49/994050349.db2.gz RTOWCZWCSYYIML-UHFFFAOYSA-N 1 2 228.246 1.684 20 0 BDADLO CC1CC(CNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724718386 994070413 /nfs/dbraw/zinc/07/04/13/994070413.db2.gz LRUJTVVDULVFPF-RRQHEKLDSA-N 1 2 220.263 1.131 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)CC1CCC1 ZINC001280402181 994106024 /nfs/dbraw/zinc/10/60/24/994106024.db2.gz GEXILBNRNCLMMZ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO CC[N@H+]1CCOC[C@H]1CNC(=O)CC1CCC1 ZINC001280402181 994106037 /nfs/dbraw/zinc/10/60/37/994106037.db2.gz GEXILBNRNCLMMZ-GFCCVEGCSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CCCOC1 ZINC001332906919 994398384 /nfs/dbraw/zinc/39/83/84/994398384.db2.gz RJKPFMNMTFAFIB-SNVBAGLBSA-N 1 2 249.314 1.051 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CCCOC1 ZINC001332906919 994398399 /nfs/dbraw/zinc/39/83/99/994398399.db2.gz RJKPFMNMTFAFIB-SNVBAGLBSA-N 1 2 249.314 1.051 20 0 BDADLO Cc1cc(N[C@H]2CCNC2=O)[nH+]c2ccccc12 ZINC000822127586 994420595 /nfs/dbraw/zinc/42/05/95/994420595.db2.gz IZMAVCFTZMKQSA-LBPRGKRZSA-N 1 2 241.294 1.844 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N(C1CC1)C1CCCC1 ZINC001293073993 994638511 /nfs/dbraw/zinc/63/85/11/994638511.db2.gz YGNGQBGPIHJZHM-UHFFFAOYSA-N 1 2 247.342 1.896 20 0 BDADLO CO[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001294016188 994680332 /nfs/dbraw/zinc/68/03/32/994680332.db2.gz DRPQLPDRDHISDY-NSHDSACASA-N 1 2 239.319 1.048 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC1 ZINC001294338120 994691385 /nfs/dbraw/zinc/69/13/85/994691385.db2.gz WSUGXIYHNXOCEG-UHFFFAOYSA-N 1 2 207.277 1.177 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccccc1O ZINC001294927251 994724085 /nfs/dbraw/zinc/72/40/85/994724085.db2.gz OMWYBVJEWWQAAX-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO Cc1nc(N(C)CCn2cnnc2)c(C)c(C)[nH+]1 ZINC001307202566 995302903 /nfs/dbraw/zinc/30/29/03/995302903.db2.gz YPWLTVANZAABNA-UHFFFAOYSA-N 1 2 246.318 1.130 20 0 BDADLO CCCCCC[C@@](C)([NH2+]CCO)C(=O)OCC ZINC001307483019 995376923 /nfs/dbraw/zinc/37/69/23/995376923.db2.gz RRXZUGWGLLNZDJ-CYBMUJFWSA-N 1 2 245.363 1.861 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H](C)OC)CCCCC1 ZINC001307545681 995402903 /nfs/dbraw/zinc/40/29/03/995402903.db2.gz QCVPUKFCEVMHKV-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@@H+](CCC2(O)CCC2)C1 ZINC001308072930 995541513 /nfs/dbraw/zinc/54/15/13/995541513.db2.gz CEUOTXLHTOLZFI-LLVKDONJSA-N 1 2 249.358 1.709 20 0 BDADLO C[C@@H]1Cc2[nH]ncc2C[N@H+](CCC2(O)CCC2)C1 ZINC001308072930 995541522 /nfs/dbraw/zinc/54/15/22/995541522.db2.gz CEUOTXLHTOLZFI-LLVKDONJSA-N 1 2 249.358 1.709 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@@H+]1C[C@H]1CNC(=O)C1 ZINC001308154886 995577300 /nfs/dbraw/zinc/57/73/00/995577300.db2.gz VDYBTTMIMRIPIS-DTWKUNHWSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@H+]1C[C@H]1CNC(=O)C1 ZINC001308154886 995577310 /nfs/dbraw/zinc/57/73/10/995577310.db2.gz VDYBTTMIMRIPIS-DTWKUNHWSA-N 1 2 232.274 1.242 20 0 BDADLO CO[C@@H](CNC(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000297843222 398146990 /nfs/dbraw/zinc/14/69/90/398146990.db2.gz SGUMMZHKDMAPDU-LBPRGKRZSA-N 1 2 249.314 1.937 20 0 BDADLO CC[C@H](O)CNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631281379 349498528 /nfs/dbraw/zinc/49/85/28/349498528.db2.gz FJELZRXLODBZFB-VIFPVBQESA-N 1 2 248.330 1.686 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)no1 ZINC000270871970 178000881 /nfs/dbraw/zinc/00/08/81/178000881.db2.gz JHUMDZQUMRCYDT-GFCCVEGCSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)no1 ZINC000270871970 178000886 /nfs/dbraw/zinc/00/08/86/178000886.db2.gz JHUMDZQUMRCYDT-GFCCVEGCSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)no1 ZINC000291619722 178001316 /nfs/dbraw/zinc/00/13/16/178001316.db2.gz CSZHBVNBXCCGND-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](n3cccn3)C2)no1 ZINC000291619722 178001319 /nfs/dbraw/zinc/00/13/19/178001319.db2.gz CSZHBVNBXCCGND-GFCCVEGCSA-N 1 2 232.287 1.627 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)C(F)F ZINC000389950074 398150810 /nfs/dbraw/zinc/15/08/10/398150810.db2.gz WTUVWKUBXSYTEC-NKWVEPMBSA-N 1 2 229.292 1.053 20 0 BDADLO CN(C)c1ccc(CNC(=O)C(F)(F)F)c[nH+]1 ZINC000299672848 398150822 /nfs/dbraw/zinc/15/08/22/398150822.db2.gz PMSDIFAKNDGDAL-UHFFFAOYSA-N 1 2 247.220 1.326 20 0 BDADLO Cc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1C ZINC000336662277 178008483 /nfs/dbraw/zinc/00/84/83/178008483.db2.gz IWEHBAHBOOROOB-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H](C)CCO)s1 ZINC000649870683 398158033 /nfs/dbraw/zinc/15/80/33/398158033.db2.gz GZEYHKLJGYFBJX-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)CCO)s1 ZINC000649870683 398158036 /nfs/dbraw/zinc/15/80/36/398158036.db2.gz GZEYHKLJGYFBJX-VIFPVBQESA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000527797853 398173739 /nfs/dbraw/zinc/17/37/39/398173739.db2.gz DYAZUJPBWQRJEK-MNOVXSKESA-N 1 2 209.293 1.455 20 0 BDADLO Cc1cc(CN[C@H](C)c2[nH]cc[nH+]2)on1 ZINC000309041990 178039132 /nfs/dbraw/zinc/03/91/32/178039132.db2.gz KMEJSCJFYMPOAK-MRVPVSSYSA-N 1 2 206.249 1.557 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncc[nH]2)on1 ZINC000309041990 178039135 /nfs/dbraw/zinc/03/91/35/178039135.db2.gz KMEJSCJFYMPOAK-MRVPVSSYSA-N 1 2 206.249 1.557 20 0 BDADLO c1c2c(n[nH+]c1N1CCCCN1)CCC2 ZINC000649366622 398176065 /nfs/dbraw/zinc/17/60/65/398176065.db2.gz PBINDKVMGCIWAU-UHFFFAOYSA-N 1 2 204.277 1.070 20 0 BDADLO C[C@H]1SCC[N@H+](CCc2cnn[nH]2)[C@H]1C ZINC000647964443 398178341 /nfs/dbraw/zinc/17/83/41/398178341.db2.gz KFAUIXCHBTYALW-DTWKUNHWSA-N 1 2 226.349 1.173 20 0 BDADLO C[C@H]1SCC[N@@H+](CCc2cnn[nH]2)[C@H]1C ZINC000647964443 398178344 /nfs/dbraw/zinc/17/83/44/398178344.db2.gz KFAUIXCHBTYALW-DTWKUNHWSA-N 1 2 226.349 1.173 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907734 398180925 /nfs/dbraw/zinc/18/09/25/398180925.db2.gz YUUJPGZYTHFGSB-VIFPVBQESA-N 1 2 228.246 1.046 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907734 398180926 /nfs/dbraw/zinc/18/09/26/398180926.db2.gz YUUJPGZYTHFGSB-VIFPVBQESA-N 1 2 228.246 1.046 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@@H+]1CCCF ZINC000649882735 398160584 /nfs/dbraw/zinc/16/05/84/398160584.db2.gz ASVMXYYUDBKAOD-LLVKDONJSA-N 1 2 227.283 1.153 20 0 BDADLO Cn1nccc1[C@H]1COCC[N@H+]1CCCF ZINC000649882735 398160588 /nfs/dbraw/zinc/16/05/88/398160588.db2.gz ASVMXYYUDBKAOD-LLVKDONJSA-N 1 2 227.283 1.153 20 0 BDADLO Cc1cc(Cc2noc(C[NH+](C)C)n2)nc(C)n1 ZINC000277929891 178059791 /nfs/dbraw/zinc/05/97/91/178059791.db2.gz NJNIVXZHMNOYMC-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628120676 398166883 /nfs/dbraw/zinc/16/68/83/398166883.db2.gz ZAMSWNAYKODNBO-NSHDSACASA-N 1 2 249.314 1.392 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628120676 398166887 /nfs/dbraw/zinc/16/68/87/398166887.db2.gz ZAMSWNAYKODNBO-NSHDSACASA-N 1 2 249.314 1.392 20 0 BDADLO CC[C@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)CCO1 ZINC000175084062 365527223 /nfs/dbraw/zinc/52/72/23/365527223.db2.gz NZBKEZDPJKUDOU-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)CCO1 ZINC000175084062 365527226 /nfs/dbraw/zinc/52/72/26/365527226.db2.gz NZBKEZDPJKUDOU-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1cc(N(C)CCOCC2CC2)nc[nH+]1 ZINC000301569298 178099133 /nfs/dbraw/zinc/09/91/33/178099133.db2.gz NLWLQUCTUHIHRU-UHFFFAOYSA-N 1 2 221.304 1.648 20 0 BDADLO Cc1cc(N(C)[C@H]2CCNC2=O)nc(C2CC2)[nH+]1 ZINC000328801462 178102398 /nfs/dbraw/zinc/10/23/98/178102398.db2.gz JEBQLXPORFOXBZ-JTQLQIEISA-N 1 2 246.314 1.827 20 0 BDADLO CC[C@@H](C[N@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000576238155 365533942 /nfs/dbraw/zinc/53/39/42/365533942.db2.gz WLNNDJKHNUTBFP-WPRPVWTQSA-N 1 2 227.308 1.796 20 0 BDADLO CC[C@@H](C[N@@H+](C)[C@@H](C)c1nc(C)no1)OC ZINC000576238155 365533950 /nfs/dbraw/zinc/53/39/50/365533950.db2.gz WLNNDJKHNUTBFP-WPRPVWTQSA-N 1 2 227.308 1.796 20 0 BDADLO CCC(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000357917903 168340113 /nfs/dbraw/zinc/34/01/13/168340113.db2.gz WTSZEBGDNCEZJS-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO c1ncc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000271114645 538923803 /nfs/dbraw/zinc/92/38/03/538923803.db2.gz GPISWPINJLMDES-NWDGAFQWSA-N 1 2 219.288 1.230 20 0 BDADLO c1ncc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000271114645 538923805 /nfs/dbraw/zinc/92/38/05/538923805.db2.gz GPISWPINJLMDES-NWDGAFQWSA-N 1 2 219.288 1.230 20 0 BDADLO Cc1cc(N2C[C@@H](O)C3(CC3)C2)nc(C2CC2)[nH+]1 ZINC000373596929 178120334 /nfs/dbraw/zinc/12/03/34/178120334.db2.gz OVIFEWZUTKOKIR-LLVKDONJSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1cc(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)nc[nH+]1 ZINC000338830725 178120948 /nfs/dbraw/zinc/12/09/48/178120948.db2.gz PRUFFKCHLWRZHJ-KBPBESRZSA-N 1 2 245.326 1.933 20 0 BDADLO Cc1cc(NC(=O)NCC2(CO)CCC2)cc[nH+]1 ZINC000183959848 178138707 /nfs/dbraw/zinc/13/87/07/178138707.db2.gz MALOXWYIQGOCOE-UHFFFAOYSA-N 1 2 249.314 1.674 20 0 BDADLO Cc1cc(NC(=O)CCCC(=O)N(C)C)cc[nH+]1 ZINC000073609914 178128036 /nfs/dbraw/zinc/12/80/36/178128036.db2.gz YIMRBLCBTRZETD-UHFFFAOYSA-N 1 2 249.314 1.587 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)n[nH]1 ZINC000279273904 178128760 /nfs/dbraw/zinc/12/87/60/178128760.db2.gz WPVRPFOPAVXRHZ-UHFFFAOYSA-N 1 2 219.248 1.013 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000576280910 365549455 /nfs/dbraw/zinc/54/94/55/365549455.db2.gz GRRINLDOGJAYCT-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000576280910 365549459 /nfs/dbraw/zinc/54/94/59/365549459.db2.gz GRRINLDOGJAYCT-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)on1 ZINC000293054569 178132826 /nfs/dbraw/zinc/13/28/26/178132826.db2.gz RVZKJDMIUHXRMD-VXNVDRBHSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)on1 ZINC000293054569 178132827 /nfs/dbraw/zinc/13/28/27/178132827.db2.gz RVZKJDMIUHXRMD-VXNVDRBHSA-N 1 2 223.276 1.262 20 0 BDADLO Cc1cc(NC(=O)N(C)CCF)cc[nH+]1 ZINC000297731428 178135698 /nfs/dbraw/zinc/13/56/98/178135698.db2.gz KJOMTAIXMMPESM-UHFFFAOYSA-N 1 2 211.240 1.823 20 0 BDADLO Cc1cc(NC(=O)N(C)C[C@@H](C)O)cc[nH+]1 ZINC000119922987 178136091 /nfs/dbraw/zinc/13/60/91/178136091.db2.gz CKEKGCUBJVGFCY-SECBINFHSA-N 1 2 223.276 1.235 20 0 BDADLO Cc1cc(NC(=O)N(C)CCCO)cc[nH+]1 ZINC000281681461 178136125 /nfs/dbraw/zinc/13/61/25/178136125.db2.gz FGSGKNKUJAEAGJ-UHFFFAOYSA-N 1 2 223.276 1.236 20 0 BDADLO Cc1cnccc1C[NH2+]C(CF)CF ZINC000648636469 398208407 /nfs/dbraw/zinc/20/84/07/398208407.db2.gz YWNCXFZHAZIMCS-UHFFFAOYSA-N 1 2 200.232 1.787 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000119204575 178140217 /nfs/dbraw/zinc/14/02/17/178140217.db2.gz DMAICMCEYIZPOL-PWSUYJOCSA-N 1 2 249.314 1.673 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000277515214 178142084 /nfs/dbraw/zinc/14/20/84/178142084.db2.gz QKNBIMKUASBFQT-CABZTGNLSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000277515217 178142124 /nfs/dbraw/zinc/14/21/24/178142124.db2.gz QKNBIMKUASBFQT-JOYOIKCWSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1cc(NC(=O)N[C@H](CO)C(C)C)cc[nH+]1 ZINC000120194865 178142203 /nfs/dbraw/zinc/14/22/03/178142203.db2.gz CAWUAIMXXLTSLO-LLVKDONJSA-N 1 2 237.303 1.528 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCCOC2)cc[nH+]1 ZINC000171289974 178147838 /nfs/dbraw/zinc/14/78/38/178147838.db2.gz OKIALIMVEVVBCL-JTQLQIEISA-N 1 2 220.272 1.755 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccnc(C#N)c2)[C@H]1C ZINC000380376627 343984594 /nfs/dbraw/zinc/98/45/94/343984594.db2.gz DHVNYFLZGXDKHL-QWRGUYRKSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccnc(C#N)c2)[C@H]1C ZINC000380376627 343984596 /nfs/dbraw/zinc/98/45/96/343984596.db2.gz DHVNYFLZGXDKHL-QWRGUYRKSA-N 1 2 231.299 1.562 20 0 BDADLO Cc1cc(NCCCC(=O)NC2CC2)nc[nH+]1 ZINC000096474183 178158122 /nfs/dbraw/zinc/15/81/22/178158122.db2.gz AAJWWCGUZQLNQK-UHFFFAOYSA-N 1 2 234.303 1.256 20 0 BDADLO Cc1cc(NC[C@@H](C)O)nc(-c2cccnc2)[nH+]1 ZINC000120487106 178165962 /nfs/dbraw/zinc/16/59/62/178165962.db2.gz BKSXXPKTCCVDEZ-SNVBAGLBSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1cc(NC[C@@](C)(O)c2ccco2)nc[nH+]1 ZINC000301457133 178167405 /nfs/dbraw/zinc/16/74/05/178167405.db2.gz ZBIDLPAZDMEWKX-GFCCVEGCSA-N 1 2 233.271 1.698 20 0 BDADLO Cc1cc(NC[C@@](C)(O)C(F)(F)F)nc[nH+]1 ZINC000309712765 178167779 /nfs/dbraw/zinc/16/77/79/178167779.db2.gz RKNZNVCVQNTDJD-MRVPVSSYSA-N 1 2 235.209 1.510 20 0 BDADLO Cc1cc(NC[C@H](C)O)nc(C2CC2)[nH+]1 ZINC000120188510 178168764 /nfs/dbraw/zinc/16/87/64/178168764.db2.gz CSNCGCLOCCUHHN-QMMMGPOBSA-N 1 2 207.277 1.455 20 0 BDADLO Cc1cc(N[C@@H](C)CO[C@@H]2CCOC2)nc[nH+]1 ZINC000133812338 178178634 /nfs/dbraw/zinc/17/86/34/178178634.db2.gz OOWZXDDLRCNOJN-WDEREUQCSA-N 1 2 237.303 1.391 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)nc[nH+]1 ZINC000408241677 178181273 /nfs/dbraw/zinc/18/12/73/178181273.db2.gz ZJHDJSLJASKMNB-IEBDPFPHSA-N 1 2 246.314 1.206 20 0 BDADLO Cc1cc(N[C@@](C)(CO)C2CC2)nc[nH+]1 ZINC000301733629 178184232 /nfs/dbraw/zinc/18/42/32/178184232.db2.gz AJKOARQNWZNARE-NSHDSACASA-N 1 2 207.277 1.358 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1c(C)noc1C ZINC000194736239 259300338 /nfs/dbraw/zinc/30/03/38/259300338.db2.gz UGRAGNDDLZQWMS-UHFFFAOYSA-N 1 2 247.254 1.947 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](O)[C@@H]2C)[nH+]1 ZINC000649421199 398223950 /nfs/dbraw/zinc/22/39/50/398223950.db2.gz KTULYRIFXNZFOZ-GZMMTYOYSA-N 1 2 246.314 1.616 20 0 BDADLO Cc1cc(N[C@H]2CSC[C@H]2C)nc[nH+]1 ZINC000307484185 178190732 /nfs/dbraw/zinc/19/07/32/178190732.db2.gz ANTSUZPIQVTWDA-APPZFPTMSA-N 1 2 209.318 1.948 20 0 BDADLO Cn1cc[nH+]c1CNc1ncc(Cl)cn1 ZINC000093537956 398227971 /nfs/dbraw/zinc/22/79/71/398227971.db2.gz LCGONFHBRIQYCV-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000276716753 538932807 /nfs/dbraw/zinc/93/28/07/538932807.db2.gz RUDKMPNSWDZMCT-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000276716753 538932809 /nfs/dbraw/zinc/93/28/09/538932809.db2.gz RUDKMPNSWDZMCT-SNVBAGLBSA-N 1 2 221.304 1.743 20 0 BDADLO CC(C)CN(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000276508392 538933304 /nfs/dbraw/zinc/93/33/04/538933304.db2.gz XKUJNNYCAISREF-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)CN(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000276508392 538933305 /nfs/dbraw/zinc/93/33/05/538933305.db2.gz XKUJNNYCAISREF-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO CCC(CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276586350 168354821 /nfs/dbraw/zinc/35/48/21/168354821.db2.gz MHLHPOIVGVUYQH-AATRIKPKSA-N 1 2 221.304 1.975 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)no1 ZINC000281058563 178231855 /nfs/dbraw/zinc/23/18/55/178231855.db2.gz RPDZQDXDQKEMAU-NXEZZACHSA-N 1 2 237.303 1.302 20 0 BDADLO CCCC(C)(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000650089336 398234774 /nfs/dbraw/zinc/23/47/74/398234774.db2.gz SDMJWDJVGADWKF-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CCn1cncc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000517749856 259305237 /nfs/dbraw/zinc/30/52/37/259305237.db2.gz HMNICHNHJBIQML-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cncc1C[N@H+]1CCC[C@@H](F)C1 ZINC000517749856 259305238 /nfs/dbraw/zinc/30/52/38/259305238.db2.gz HMNICHNHJBIQML-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@@H](F)C1 ZINC000517749856 259305240 /nfs/dbraw/zinc/30/52/40/259305240.db2.gz HMNICHNHJBIQML-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO Cc1ncccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280325592 538937293 /nfs/dbraw/zinc/93/72/93/538937293.db2.gz ZKQAOQMDHPKFEU-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1ncccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280325592 538937295 /nfs/dbraw/zinc/93/72/95/538937295.db2.gz ZKQAOQMDHPKFEU-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCc1cc(N)nc(SC[C@H](C)O)[nH+]1 ZINC000281552479 398236532 /nfs/dbraw/zinc/23/65/32/398236532.db2.gz YZEDJRDTHQQAAM-LURJTMIESA-N 1 2 213.306 1.094 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCO2)c2[nH+]ccn21 ZINC000650075934 398233292 /nfs/dbraw/zinc/23/32/92/398233292.db2.gz CDRMFYRCXLBWMB-MXWKQRLJSA-N 1 2 249.314 1.574 20 0 BDADLO CCC(CC)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370427772 168358636 /nfs/dbraw/zinc/35/86/36/168358636.db2.gz IWAXTIJCHGFQRN-LBPRGKRZSA-N 1 2 249.358 1.998 20 0 BDADLO COC1CC(C(=O)NCCNc2cccc[nH+]2)C1 ZINC000629946295 361788653 /nfs/dbraw/zinc/78/86/53/361788653.db2.gz GANXMFFHLSXKJU-UHFFFAOYSA-N 1 2 249.314 1.035 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC1(C)COC1 ZINC000624528968 343992155 /nfs/dbraw/zinc/99/21/55/343992155.db2.gz YGOVEPDRNMIKQV-UHFFFAOYSA-N 1 2 237.303 1.266 20 0 BDADLO CC(C)(C(=O)NC1CCCC1)c1c[nH]c[nH+]1 ZINC000564713930 323003260 /nfs/dbraw/zinc/00/32/60/323003260.db2.gz YNAZAOOGSJMSHJ-UHFFFAOYSA-N 1 2 221.304 1.746 20 0 BDADLO c1nnc([C@@H]([NH2+]CCC2CC2)c2cccnc2)[nH]1 ZINC000285059772 538940496 /nfs/dbraw/zinc/94/04/96/538940496.db2.gz ITSRAFFYBXMDRE-LBPRGKRZSA-N 1 2 243.314 1.679 20 0 BDADLO CN(CC1(C)COC1)c1cc(NC2CC2)[nH+]cn1 ZINC000624528826 343992315 /nfs/dbraw/zinc/99/23/15/343992315.db2.gz PNSRVMQRQPAAPN-UHFFFAOYSA-N 1 2 248.330 1.524 20 0 BDADLO CN(CC1(C)COC1)c1cc(NC2CC2)nc[nH+]1 ZINC000624528826 343992318 /nfs/dbraw/zinc/99/23/18/343992318.db2.gz PNSRVMQRQPAAPN-UHFFFAOYSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ncc[nH]1 ZINC000286206923 538943372 /nfs/dbraw/zinc/94/33/72/538943372.db2.gz RPPWNXRRUSWYJV-BXKDBHETSA-N 1 2 249.289 1.933 20 0 BDADLO CCc1nc(N[C@@H](C)c2n[nH]c(C)n2)cc(C)[nH+]1 ZINC000343905787 365639107 /nfs/dbraw/zinc/63/91/07/365639107.db2.gz CJOORNCZKHKQBG-QMMMGPOBSA-N 1 2 246.318 1.369 20 0 BDADLO Cc1cc2[nH+]cn(Cc3nnn(C)n3)c2cc1C ZINC000194430381 178306040 /nfs/dbraw/zinc/30/60/40/178306040.db2.gz MLAGMWKWOWYTGT-UHFFFAOYSA-N 1 2 242.286 1.225 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccncc2C)n1 ZINC000576627072 365640484 /nfs/dbraw/zinc/64/04/84/365640484.db2.gz OICXPXMFVFOWLF-UHFFFAOYSA-N 1 2 244.298 1.478 20 0 BDADLO CCN1C[C@@H](C)[NH+](Cc2ncccc2O)[C@H](C)C1 ZINC000576645068 365649468 /nfs/dbraw/zinc/64/94/68/365649468.db2.gz SFBZNRIRFNDZQL-VXGBXAGGSA-N 1 2 249.358 1.702 20 0 BDADLO Cc1nccnc1NCCc1cn(C)c[nH+]1 ZINC000313484512 398256487 /nfs/dbraw/zinc/25/64/87/398256487.db2.gz MIUNKTXJRWARTF-UHFFFAOYSA-N 1 2 217.276 1.173 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC1(C)C ZINC000291221742 538947587 /nfs/dbraw/zinc/94/75/87/538947587.db2.gz GUORGODDVPHBHP-SECBINFHSA-N 1 2 207.277 1.082 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CCC1CCC1 ZINC000291200685 538947589 /nfs/dbraw/zinc/94/75/89/538947589.db2.gz DUPQSNYTUDAJJW-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cc[nH]c1C1CC1 ZINC000291158322 538947474 /nfs/dbraw/zinc/94/74/74/538947474.db2.gz HPMUPOAGGKFYGX-UHFFFAOYSA-N 1 2 244.298 1.556 20 0 BDADLO CCOc1cncc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428133536 398258405 /nfs/dbraw/zinc/25/84/05/398258405.db2.gz YAWSVSZCLQWIDD-UHFFFAOYSA-N 1 2 233.275 1.235 20 0 BDADLO C[C@H]1C[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CO1 ZINC000576710834 365667360 /nfs/dbraw/zinc/66/73/60/365667360.db2.gz XVLCVUIEUKYQTP-IUCAKERBSA-N 1 2 237.303 1.186 20 0 BDADLO CC(C)n1cc(C(=O)NCc2c[nH+]cn2C)cn1 ZINC000291163058 538947502 /nfs/dbraw/zinc/94/75/02/538947502.db2.gz IBJSWQUOQWPDFD-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)NCc1c[nH+]cn1C ZINC000291235618 538947397 /nfs/dbraw/zinc/94/73/97/538947397.db2.gz NWCNZRJHJNXKLA-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)ccn1 ZINC000291162991 538947433 /nfs/dbraw/zinc/94/74/33/538947433.db2.gz IANRCPZOBXAFDD-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CCC[C@H](C[N@H+](CC(=O)OC)C1CC1)OC ZINC000602483635 349566215 /nfs/dbraw/zinc/56/62/15/349566215.db2.gz JJNCBWWDERUDDL-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H](C[N@@H+](CC(=O)OC)C1CC1)OC ZINC000602483635 349566217 /nfs/dbraw/zinc/56/62/17/349566217.db2.gz JJNCBWWDERUDDL-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO COC[C@@H]([NH2+]Cc1cncnc1)c1ccc(C)o1 ZINC000177569313 538951546 /nfs/dbraw/zinc/95/15/46/538951546.db2.gz YBCRUEZYHXSJDD-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cc(C)nn2C)CCO1 ZINC000417780924 398267454 /nfs/dbraw/zinc/26/74/54/398267454.db2.gz WIVYIINSWXTLFB-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cc(C)nn2C)CCO1 ZINC000417780924 398267457 /nfs/dbraw/zinc/26/74/57/398267457.db2.gz WIVYIINSWXTLFB-ZDUSSCGKSA-N 1 2 237.347 1.729 20 0 BDADLO O=C1CCC(C[N@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC000649468784 398269251 /nfs/dbraw/zinc/26/92/51/398269251.db2.gz AWKWNOVNKUXJMA-SNVBAGLBSA-N 1 2 247.285 1.448 20 0 BDADLO O=C1CCC(C[N@@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC000649468784 398269255 /nfs/dbraw/zinc/26/92/55/398269255.db2.gz AWKWNOVNKUXJMA-SNVBAGLBSA-N 1 2 247.285 1.448 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCOC1CCC1)C1CC1 ZINC000561869512 323008228 /nfs/dbraw/zinc/00/82/28/323008228.db2.gz FZKXZVUUJUQJEN-CYBMUJFWSA-N 1 2 241.331 1.487 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCOC[C@H]1CC ZINC000179772392 538955938 /nfs/dbraw/zinc/95/59/38/538955938.db2.gz NVFCPQVXQXAKGH-GFCCVEGCSA-N 1 2 237.347 1.593 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCOC[C@H]1CC ZINC000179772392 538955939 /nfs/dbraw/zinc/95/59/39/538955939.db2.gz NVFCPQVXQXAKGH-GFCCVEGCSA-N 1 2 237.347 1.593 20 0 BDADLO Cc1c[nH]c(CN(C)[C@H](C)C(=O)OC(C)C)[nH+]1 ZINC000600121268 342679135 /nfs/dbraw/zinc/67/91/35/342679135.db2.gz UIXVZPBDWUQBBT-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)[nH+]1 ZINC000600150735 342691195 /nfs/dbraw/zinc/69/11/95/342691195.db2.gz JSNFQYFPUVKPLY-ORMTXKICSA-N 1 2 241.360 1.059 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cnns2)c1 ZINC000649479994 398277600 /nfs/dbraw/zinc/27/76/00/398277600.db2.gz MIUQZGBSTDIKPB-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cnns2)c1 ZINC000649479994 398277602 /nfs/dbraw/zinc/27/76/02/398277602.db2.gz MIUQZGBSTDIKPB-UHFFFAOYSA-N 1 2 236.344 1.992 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)CC2CCCC2)no1 ZINC000231803063 342739552 /nfs/dbraw/zinc/73/95/52/342739552.db2.gz SJZFZEPGVHVLGJ-LLVKDONJSA-N 1 2 239.319 1.409 20 0 BDADLO CC[C@@](C)(C[NH2+]Cc1cn[nH]c1C)OC ZINC000322951130 342801952 /nfs/dbraw/zinc/80/19/52/342801952.db2.gz RPNNKUSLFDTPHS-NSHDSACASA-N 1 2 211.309 1.623 20 0 BDADLO c1nc(C[NH2+]Cc2ccccn2)cs1 ZINC000040420097 538971151 /nfs/dbraw/zinc/97/11/51/538971151.db2.gz OUEMWAMJNBXEEB-UHFFFAOYSA-N 1 2 205.286 1.828 20 0 BDADLO CC[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580995 342796395 /nfs/dbraw/zinc/79/63/95/342796395.db2.gz OHLKWOQCRBYMFK-MNOVXSKESA-N 1 2 242.269 1.690 20 0 BDADLO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(F)F)C1 ZINC000187965705 538976962 /nfs/dbraw/zinc/97/69/62/538976962.db2.gz IMKGWVAZFPHDPJ-PSASIEDQSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(F)F)C1 ZINC000187965705 538976964 /nfs/dbraw/zinc/97/69/64/538976964.db2.gz IMKGWVAZFPHDPJ-PSASIEDQSA-N 1 2 207.264 1.734 20 0 BDADLO C/C=C/CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000624655102 342809643 /nfs/dbraw/zinc/80/96/43/342809643.db2.gz JIBWDRMHPKWWTO-NSCUHMNNSA-N 1 2 234.303 1.301 20 0 BDADLO C/C=C/CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000624655102 342809645 /nfs/dbraw/zinc/80/96/45/342809645.db2.gz JIBWDRMHPKWWTO-NSCUHMNNSA-N 1 2 234.303 1.301 20 0 BDADLO Cc1nc(NC[C@H]2C[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624666535 342813640 /nfs/dbraw/zinc/81/36/40/342813640.db2.gz GNTBLVVXONJLEK-PHIMTYICSA-N 1 2 247.342 1.269 20 0 BDADLO CN(C[C@H]1C[C@@H](O)C1)c1cc[nH+]c(C2CC2)n1 ZINC000624686866 342816177 /nfs/dbraw/zinc/81/61/77/342816177.db2.gz QVPWIXAGVJCQBW-JGZJWPJOSA-N 1 2 233.315 1.561 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCOC[C@H]1O ZINC000624686483 342816212 /nfs/dbraw/zinc/81/62/12/342816212.db2.gz MVCFTGDAOZIHEJ-ZYHUDNBSSA-N 1 2 247.298 1.135 20 0 BDADLO Cc1[nH+]cc(-c2cncc(C(=O)N(C)C)c2)n1C ZINC000630054286 361918780 /nfs/dbraw/zinc/91/87/80/361918780.db2.gz MLLUVUCAXRMYHI-UHFFFAOYSA-N 1 2 244.298 1.492 20 0 BDADLO O[C@@H]1COCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000624682660 342819256 /nfs/dbraw/zinc/81/92/56/342819256.db2.gz QCPQPBIZVZMDIB-CHWSQXEVSA-N 1 2 244.294 1.797 20 0 BDADLO C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1[nH]cc[nH+]1 ZINC000583985811 342822188 /nfs/dbraw/zinc/82/21/88/342822188.db2.gz XHBHCZVQSBWHIG-SSDOTTSWSA-N 1 2 245.286 1.113 20 0 BDADLO O[C@@H]1CC[C@H]2CCN(c3cccc[nH+]3)[C@@H]12 ZINC000624744431 342824025 /nfs/dbraw/zinc/82/40/25/342824025.db2.gz HJPLKNLZHYBLSN-HOSYDEDBSA-N 1 2 204.273 1.431 20 0 BDADLO CSC1(C[NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000449301986 398290087 /nfs/dbraw/zinc/29/00/87/398290087.db2.gz TWDUAHUBFCNTAE-UHFFFAOYSA-N 1 2 239.344 1.932 20 0 BDADLO CCC(CC)Nc1[nH+]cnc2c1cnn2C ZINC000036804859 168394711 /nfs/dbraw/zinc/39/47/11/168394711.db2.gz IZHSOHKPLNCVCJ-UHFFFAOYSA-N 1 2 219.292 1.964 20 0 BDADLO CCC(CC)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278415488 168395697 /nfs/dbraw/zinc/39/56/97/168395697.db2.gz ODYMSZFOVSCMLX-UHFFFAOYSA-N 1 2 234.307 1.546 20 0 BDADLO CCN1CC[N@H+](C/C=C\c2ccccc2)CC1=O ZINC000348820020 136240001 /nfs/dbraw/zinc/24/00/01/136240001.db2.gz ZIALCPGMHDMERZ-TWGQIWQCSA-N 1 2 244.338 1.864 20 0 BDADLO CCN1CC[N@@H+](C/C=C\c2ccccc2)CC1=O ZINC000348820020 136240002 /nfs/dbraw/zinc/24/00/02/136240002.db2.gz ZIALCPGMHDMERZ-TWGQIWQCSA-N 1 2 244.338 1.864 20 0 BDADLO CC[C@@]1(C)C[N@H+](Cc2cncnc2)CCO1 ZINC000191152003 538991661 /nfs/dbraw/zinc/99/16/61/538991661.db2.gz ZQNXIRTXKFBZMA-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@@]1(C)C[N@@H+](Cc2cncnc2)CCO1 ZINC000191152003 538991662 /nfs/dbraw/zinc/99/16/62/538991662.db2.gz ZQNXIRTXKFBZMA-LBPRGKRZSA-N 1 2 221.304 1.478 20 0 BDADLO COCC1([NH2+][C@@H](C)c2cn[nH]c2C)CC1 ZINC000379961472 538982637 /nfs/dbraw/zinc/98/26/37/538982637.db2.gz XBIOQEQQCMTJLD-QMMMGPOBSA-N 1 2 209.293 1.548 20 0 BDADLO Nc1[nH+]cnc(N2CCC(F)(F)CC2)c1Cl ZINC000381527998 539003200 /nfs/dbraw/zinc/00/32/00/539003200.db2.gz XRXYOJAVWVSTME-UHFFFAOYSA-N 1 2 248.664 1.948 20 0 BDADLO Nc1nc[nH+]c(N2CCC(F)(F)CC2)c1Cl ZINC000381527998 539003201 /nfs/dbraw/zinc/00/32/01/539003201.db2.gz XRXYOJAVWVSTME-UHFFFAOYSA-N 1 2 248.664 1.948 20 0 BDADLO CC[C@@H](NCc1cocn1)c1[nH+]ccn1C ZINC000381608504 539004528 /nfs/dbraw/zinc/00/45/28/539004528.db2.gz RGFLHJQZOMKYOG-SNVBAGLBSA-N 1 2 220.276 1.649 20 0 BDADLO CC(C)C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000193480778 539005826 /nfs/dbraw/zinc/00/58/26/539005826.db2.gz OLOTZEVKAPDTLF-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC(C)C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000193480778 539005828 /nfs/dbraw/zinc/00/58/28/539005828.db2.gz OLOTZEVKAPDTLF-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CCn1ccnc1CNc1[nH+]cccc1OC ZINC000385049592 539012902 /nfs/dbraw/zinc/01/29/02/539012902.db2.gz AKJZDUOUWWYIOA-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC=CCC1 ZINC000192939717 538999374 /nfs/dbraw/zinc/99/93/74/538999374.db2.gz WQKMFPWVSIEUTJ-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC=CCC1 ZINC000192939717 538999376 /nfs/dbraw/zinc/99/93/76/538999376.db2.gz WQKMFPWVSIEUTJ-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000011682037 342842429 /nfs/dbraw/zinc/84/24/29/342842429.db2.gz OOTZJWQSNVKBEL-SSDOTTSWSA-N 1 2 236.300 1.433 20 0 BDADLO Cc1cc(CCNc2cc(C)[nH+]cn2)on1 ZINC000390504200 539022495 /nfs/dbraw/zinc/02/24/95/539022495.db2.gz WEJIURQUGZNMND-UHFFFAOYSA-N 1 2 218.260 1.158 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)[C@H]1CCOC1 ZINC000521576240 259324721 /nfs/dbraw/zinc/32/47/21/259324721.db2.gz VYUKAPLDJLOYCJ-ZJUUUORDSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)[C@H]1CCOC1 ZINC000521576240 259324722 /nfs/dbraw/zinc/32/47/22/259324722.db2.gz VYUKAPLDJLOYCJ-ZJUUUORDSA-N 1 2 248.330 1.888 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cocn2)s1 ZINC000389877483 539018126 /nfs/dbraw/zinc/01/81/26/539018126.db2.gz MJOSOXFJDSLWIY-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C)C1)CC2 ZINC000625038546 342844817 /nfs/dbraw/zinc/84/48/17/342844817.db2.gz AYDYIOJBNVHHQV-PWSUYJOCSA-N 1 2 247.342 1.622 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CCS[C@H](C)C1 ZINC000335860852 398300706 /nfs/dbraw/zinc/30/07/06/398300706.db2.gz DWLXMIMGYLPDSF-RKDXNWHRSA-N 1 2 226.349 1.313 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CCS[C@H](C)C1 ZINC000335860852 398300707 /nfs/dbraw/zinc/30/07/07/398300707.db2.gz DWLXMIMGYLPDSF-RKDXNWHRSA-N 1 2 226.349 1.313 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)[C@@H](C)CO1 ZINC000625057624 342846892 /nfs/dbraw/zinc/84/68/92/342846892.db2.gz QFAHOTOAZVMIHE-WDEREUQCSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)[C@@H](C)CO1 ZINC000625057624 342846893 /nfs/dbraw/zinc/84/68/93/342846893.db2.gz QFAHOTOAZVMIHE-WDEREUQCSA-N 1 2 242.363 1.258 20 0 BDADLO COc1ccncc1C[NH2+]Cc1oc(C)nc1C ZINC000394120002 342877565 /nfs/dbraw/zinc/87/75/65/342877565.db2.gz JREOKCTXUHVKFN-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO Cc1occc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000335646754 136243796 /nfs/dbraw/zinc/24/37/96/136243796.db2.gz MOKYFLIHYJIJIW-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000335646754 136243797 /nfs/dbraw/zinc/24/37/97/136243797.db2.gz MOKYFLIHYJIJIW-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625108358 342859667 /nfs/dbraw/zinc/85/96/67/342859667.db2.gz XTWAZIMFJUWXGU-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625108358 342859668 /nfs/dbraw/zinc/85/96/68/342859668.db2.gz XTWAZIMFJUWXGU-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@H+]1CC=C(CNc2[nH+]cccc2C(=O)[O-])CC1 ZINC000392270574 398316902 /nfs/dbraw/zinc/31/69/02/398316902.db2.gz TYAOTHHNELMANH-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO C[N@@H+]1CC=C(CNc2[nH+]cccc2C(=O)[O-])CC1 ZINC000392270574 398316903 /nfs/dbraw/zinc/31/69/03/398316903.db2.gz TYAOTHHNELMANH-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1ccco1 ZINC000035142522 342883756 /nfs/dbraw/zinc/88/37/56/342883756.db2.gz FDXTUWKLTUCPFO-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO CCC1(O)CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000351513658 136246415 /nfs/dbraw/zinc/24/64/15/136246415.db2.gz LPWRCLGHFZBKNT-VIFPVBQESA-N 1 2 239.319 1.676 20 0 BDADLO CC(C)=CCC[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631291797 342901913 /nfs/dbraw/zinc/90/19/13/342901913.db2.gz YRNQOWCCWZEAMI-VIFPVBQESA-N 1 2 235.335 1.561 20 0 BDADLO CC(C)=CCC[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000631291797 342901914 /nfs/dbraw/zinc/90/19/14/342901914.db2.gz YRNQOWCCWZEAMI-VIFPVBQESA-N 1 2 235.335 1.561 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@H]2CCCC[C@H]2O)no1 ZINC000351599217 136247302 /nfs/dbraw/zinc/24/73/02/136247302.db2.gz CUYUAZCXYBLXDV-INTQDDNPSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@H]2CCCC[C@H]2O)no1 ZINC000351599217 136247303 /nfs/dbraw/zinc/24/73/03/136247303.db2.gz CUYUAZCXYBLXDV-INTQDDNPSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)[C@H]2CCCC[C@@H]2O)no1 ZINC000351599219 136247568 /nfs/dbraw/zinc/24/75/68/136247568.db2.gz CUYUAZCXYBLXDV-LSJOCFKGSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)[C@H]2CCCC[C@@H]2O)no1 ZINC000351599219 136247569 /nfs/dbraw/zinc/24/75/69/136247569.db2.gz CUYUAZCXYBLXDV-LSJOCFKGSA-N 1 2 239.319 1.674 20 0 BDADLO Cc1cncc(NCc2ccc[nH+]c2N(C)C)n1 ZINC000302127750 398325275 /nfs/dbraw/zinc/32/52/75/398325275.db2.gz WZSXSOYRBQOCKT-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](C)S(=O)(=O)CC1 ZINC000336271389 398327144 /nfs/dbraw/zinc/32/71/44/398327144.db2.gz QIARYUYTUNLLDX-NEPJUHHUSA-N 1 2 247.404 1.930 20 0 BDADLO CC(C)C[C@@H](C)[N@H+]1CC[C@H](C)S(=O)(=O)CC1 ZINC000336271389 398327146 /nfs/dbraw/zinc/32/71/46/398327146.db2.gz QIARYUYTUNLLDX-NEPJUHHUSA-N 1 2 247.404 1.930 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)o1 ZINC000562442998 323020010 /nfs/dbraw/zinc/02/00/10/323020010.db2.gz FAIYOSXNKBDKFD-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)o1 ZINC000562442998 323020011 /nfs/dbraw/zinc/02/00/11/323020011.db2.gz FAIYOSXNKBDKFD-JTQLQIEISA-N 1 2 237.303 1.036 20 0 BDADLO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](C)S(=O)(=O)CC1 ZINC000336271390 398327361 /nfs/dbraw/zinc/32/73/61/398327361.db2.gz QIARYUYTUNLLDX-NWDGAFQWSA-N 1 2 247.404 1.930 20 0 BDADLO CC(C)C[C@H](C)[N@H+]1CC[C@@H](C)S(=O)(=O)CC1 ZINC000336271390 398327362 /nfs/dbraw/zinc/32/73/62/398327362.db2.gz QIARYUYTUNLLDX-NWDGAFQWSA-N 1 2 247.404 1.930 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CC[C@@H]2CCCO2)no1 ZINC000351627560 136248892 /nfs/dbraw/zinc/24/88/92/136248892.db2.gz GSMAOAXZRCSOQM-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CC[C@@H]2CCCO2)no1 ZINC000351627560 136248893 /nfs/dbraw/zinc/24/88/93/136248893.db2.gz GSMAOAXZRCSOQM-ONGXEEELSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@H](O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336263873 398326407 /nfs/dbraw/zinc/32/64/07/398326407.db2.gz GCLWPBIWENJNHK-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336263873 398326409 /nfs/dbraw/zinc/32/64/09/398326409.db2.gz GCLWPBIWENJNHK-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000602645271 349656613 /nfs/dbraw/zinc/65/66/13/349656613.db2.gz QYVKLBKFWMEQSU-FSDSQADBSA-N 1 2 207.220 1.181 20 0 BDADLO CCc1cc(NC[C@]2(O)CCC[C@H]2C)nc[nH+]1 ZINC000392925162 398336283 /nfs/dbraw/zinc/33/62/83/398336283.db2.gz HJNDZRJHFFIUAY-ZWNOBZJWSA-N 1 2 235.331 1.424 20 0 BDADLO Cc1nc(N[C@H](C)CCC(C)C)nc(N)[nH+]1 ZINC000304451715 398336414 /nfs/dbraw/zinc/33/64/14/398336414.db2.gz KEDMAYWYSZXUKQ-MRVPVSSYSA-N 1 2 223.324 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)CCC(C)C)[nH+]1 ZINC000304451715 398336415 /nfs/dbraw/zinc/33/64/15/398336415.db2.gz KEDMAYWYSZXUKQ-MRVPVSSYSA-N 1 2 223.324 1.999 20 0 BDADLO CCc1[nH]nc(NC(=O)C=Cc2[nH]cc[nH+]2)c1C ZINC000493626908 529469660 /nfs/dbraw/zinc/46/96/60/529469660.db2.gz VUTYFWWETVJRLS-PLNGDYQASA-N 1 2 245.286 1.656 20 0 BDADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(F)F ZINC000493449248 529456771 /nfs/dbraw/zinc/45/67/71/529456771.db2.gz JWHJQNFJUINBJB-RTMURIBGSA-N 1 2 229.230 1.583 20 0 BDADLO CCc1[nH]n(CC[NH+]2CCCCC2)c(=O)c1C ZINC000634592566 342946506 /nfs/dbraw/zinc/94/65/06/342946506.db2.gz NQGBIHZZRHGWTC-NSHDSACASA-N 1 2 237.347 1.717 20 0 BDADLO CCC1=NN(CC[NH+]2CCCCC2)C(=O)[C@H]1C ZINC000634592566 342946507 /nfs/dbraw/zinc/94/65/07/342946507.db2.gz NQGBIHZZRHGWTC-NSHDSACASA-N 1 2 237.347 1.717 20 0 BDADLO CC[C@@H](C)[C@@H](C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679701 349672760 /nfs/dbraw/zinc/67/27/60/349672760.db2.gz ILFATQURXIMVDR-GRYCIOLGSA-N 1 2 245.363 1.977 20 0 BDADLO O=c1c2c([nH]n1-c1cccc(F)c1)CC[NH2+]C2 ZINC000634593560 342951392 /nfs/dbraw/zinc/95/13/92/342951392.db2.gz SKPOHXACJXOGSO-JTQLQIEISA-N 1 2 233.246 1.138 20 0 BDADLO CCOc1nnc(C[N@H+](C)CC[C@@H](C)O)s1 ZINC000075783366 344017261 /nfs/dbraw/zinc/01/72/61/344017261.db2.gz JEFVOQKAAKPPRL-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](C)CC[C@@H](C)O)s1 ZINC000075783366 344017263 /nfs/dbraw/zinc/01/72/63/344017263.db2.gz JEFVOQKAAKPPRL-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000602694568 349691700 /nfs/dbraw/zinc/69/17/00/349691700.db2.gz IYNGQRFLSBJJTG-ZMLRMANQSA-N 1 2 241.331 1.485 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000602695822 349691805 /nfs/dbraw/zinc/69/18/05/349691805.db2.gz NLAGJVXFMLOYBA-GDPRMGEGSA-N 1 2 243.372 1.812 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000602695829 349692652 /nfs/dbraw/zinc/69/26/52/349692652.db2.gz NLAGJVXFMLOYBA-MIMYLULJSA-N 1 2 243.372 1.812 20 0 BDADLO CCc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)on1 ZINC000493710450 529527709 /nfs/dbraw/zinc/52/77/09/529527709.db2.gz SVPJIGSNELCCFU-ONEGZZNKSA-N 1 2 246.270 1.290 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cs1 ZINC000351825704 136255838 /nfs/dbraw/zinc/25/58/38/136255838.db2.gz JHIJTIUBEFRJLP-WCBMZHEXSA-N 1 2 242.344 1.102 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)[C@H](O)C2)cs1 ZINC000351825704 136255839 /nfs/dbraw/zinc/25/58/39/136255839.db2.gz JHIJTIUBEFRJLP-WCBMZHEXSA-N 1 2 242.344 1.102 20 0 BDADLO O=C([C@@H]1CC12CCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627369304 346906031 /nfs/dbraw/zinc/90/60/31/346906031.db2.gz QGEQJIRYUQLADH-VIFPVBQESA-N 1 2 231.299 1.485 20 0 BDADLO O=C([C@@H]1CC12CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627369304 346906032 /nfs/dbraw/zinc/90/60/32/346906032.db2.gz QGEQJIRYUQLADH-VIFPVBQESA-N 1 2 231.299 1.485 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000602712675 349704823 /nfs/dbraw/zinc/70/48/23/349704823.db2.gz DMYFPPCBDLQKEB-DTORHVGOSA-N 1 2 224.260 1.024 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCCCO1 ZINC000492027612 529551378 /nfs/dbraw/zinc/55/13/78/529551378.db2.gz CARHUSLVBBIVRZ-VOTSOKGWSA-N 1 2 249.314 1.860 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]1COC ZINC000492813492 529557783 /nfs/dbraw/zinc/55/77/83/529557783.db2.gz YYKPJCAWUHKRSH-DOGVGXBMSA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCOC[C@H]1C ZINC000493296381 529557938 /nfs/dbraw/zinc/55/79/38/529557938.db2.gz QTGWPSDHBCLVKR-DOGVGXBMSA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1C[C@H](C)[C@H]1C ZINC000493304743 529558627 /nfs/dbraw/zinc/55/86/27/529558627.db2.gz RGCZDXLODMPEJF-TUISVCKWSA-N 1 2 233.315 1.783 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC(C)C ZINC000492933944 529558662 /nfs/dbraw/zinc/55/86/62/529558662.db2.gz ZIVAROZHIICQLC-WAYWQWQTSA-N 1 2 221.304 1.688 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC(F)F ZINC000492463498 529558947 /nfs/dbraw/zinc/55/89/47/529558947.db2.gz WAIITSJETRDSGG-ARJAWSKDSA-N 1 2 229.230 1.298 20 0 BDADLO C[C@@H](NC(=O)c1ccc(F)cc1O)c1[nH]cc[nH+]1 ZINC000235190231 342989859 /nfs/dbraw/zinc/98/98/59/342989859.db2.gz QRJQSKCEXUDBDE-SSDOTTSWSA-N 1 2 249.245 1.745 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC1(C)C)c1[nH]cc[nH+]1 ZINC000235192907 342990199 /nfs/dbraw/zinc/99/01/99/342990199.db2.gz AZNKCZBIMGHEBZ-HTQZYQBOSA-N 1 2 207.277 1.633 20 0 BDADLO COC(=O)CN(C)Cc1c(C)cc(C)[nH+]c1C ZINC000602766534 349722542 /nfs/dbraw/zinc/72/25/42/349722542.db2.gz MLAAGDVQQSMLJV-UHFFFAOYSA-N 1 2 236.315 1.612 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cn1 ZINC000351858712 136258933 /nfs/dbraw/zinc/25/89/33/136258933.db2.gz VUYWSBLKJSGULJ-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cn1 ZINC000351858712 136258934 /nfs/dbraw/zinc/25/89/34/136258934.db2.gz VUYWSBLKJSGULJ-JTQLQIEISA-N 1 2 235.331 1.784 20 0 BDADLO COCC[N@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602769973 349724681 /nfs/dbraw/zinc/72/46/81/349724681.db2.gz XWWQWWZCXXXFLI-MRVPVSSYSA-N 1 2 242.275 1.100 20 0 BDADLO COCC[N@@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602769973 349724684 /nfs/dbraw/zinc/72/46/84/349724684.db2.gz XWWQWWZCXXXFLI-MRVPVSSYSA-N 1 2 242.275 1.100 20 0 BDADLO CCN(C#N)CC[N@H+](Cc1cccnc1)C1CC1 ZINC000602794151 349735640 /nfs/dbraw/zinc/73/56/40/349735640.db2.gz GQKGUJOKHWAMIC-UHFFFAOYSA-N 1 2 244.342 1.849 20 0 BDADLO CCN(C#N)CC[N@@H+](Cc1cccnc1)C1CC1 ZINC000602794151 349735643 /nfs/dbraw/zinc/73/56/43/349735643.db2.gz GQKGUJOKHWAMIC-UHFFFAOYSA-N 1 2 244.342 1.849 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602792372 349735958 /nfs/dbraw/zinc/73/59/58/349735958.db2.gz PJAIYQQKUNBRRR-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602792372 349735960 /nfs/dbraw/zinc/73/59/60/349735960.db2.gz PJAIYQQKUNBRRR-QWRGUYRKSA-N 1 2 243.347 1.685 20 0 BDADLO CC[NH+]1CCC(n2[nH]c3c(c2=O)CCCC3)CC1 ZINC000634602491 342997767 /nfs/dbraw/zinc/99/77/67/342997767.db2.gz SKRYJFBPFOGMMQ-GFCCVEGCSA-N 1 2 249.358 1.859 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1cccnc1 ZINC000602802825 349742724 /nfs/dbraw/zinc/74/27/24/349742724.db2.gz VYLRIAAWPDCKGM-UHFFFAOYSA-N 1 2 218.304 1.316 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1cccnc1 ZINC000602802825 349742728 /nfs/dbraw/zinc/74/27/28/349742728.db2.gz VYLRIAAWPDCKGM-UHFFFAOYSA-N 1 2 218.304 1.316 20 0 BDADLO CCc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000492630027 529587321 /nfs/dbraw/zinc/58/73/21/529587321.db2.gz HLVKZAFGMLXODL-WAYWQWQTSA-N 1 2 245.282 1.895 20 0 BDADLO CCN(C#N)CC[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000602823027 349762740 /nfs/dbraw/zinc/76/27/40/349762740.db2.gz UHMJCLWLHBLHIZ-AAEUAGOBSA-N 1 2 237.347 1.289 20 0 BDADLO CCN(C#N)CC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000602823027 349762743 /nfs/dbraw/zinc/76/27/43/349762743.db2.gz UHMJCLWLHBLHIZ-AAEUAGOBSA-N 1 2 237.347 1.289 20 0 BDADLO CCC[N@H+](CC(C)=O)[C@@H](CC)C(=O)OCC ZINC000602827661 349765234 /nfs/dbraw/zinc/76/52/34/349765234.db2.gz LWPOERWTJFRQGC-NSHDSACASA-N 1 2 229.320 1.629 20 0 BDADLO CCC[N@@H+](CC(C)=O)[C@@H](CC)C(=O)OCC ZINC000602827661 349765237 /nfs/dbraw/zinc/76/52/37/349765237.db2.gz LWPOERWTJFRQGC-NSHDSACASA-N 1 2 229.320 1.629 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000602781555 349747451 /nfs/dbraw/zinc/74/74/51/349747451.db2.gz AYXIHWMYEMSCKI-LLVKDONJSA-N 1 2 225.336 1.289 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000602781555 349747454 /nfs/dbraw/zinc/74/74/54/349747454.db2.gz AYXIHWMYEMSCKI-LLVKDONJSA-N 1 2 225.336 1.289 20 0 BDADLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(C)=O ZINC000602817494 349759028 /nfs/dbraw/zinc/75/90/28/349759028.db2.gz IHYWQHRKWGUQNC-CYBMUJFWSA-N 1 2 241.331 1.773 20 0 BDADLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(C)=O ZINC000602817494 349759033 /nfs/dbraw/zinc/75/90/33/349759033.db2.gz IHYWQHRKWGUQNC-CYBMUJFWSA-N 1 2 241.331 1.773 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@H]2C)s1 ZINC000335910796 136263073 /nfs/dbraw/zinc/26/30/73/136263073.db2.gz HQMGCQUTTCIPNG-SSDOTTSWSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@H]2C)s1 ZINC000335910796 136263074 /nfs/dbraw/zinc/26/30/74/136263074.db2.gz HQMGCQUTTCIPNG-SSDOTTSWSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1ccc(C[NH2+]Cc2nncn2C)o1 ZINC000037989038 343040099 /nfs/dbraw/zinc/04/00/99/343040099.db2.gz UNSCYFVKFUFTRR-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000602847225 349782254 /nfs/dbraw/zinc/78/22/54/349782254.db2.gz UWCHVCDUFMTXTM-RKDXNWHRSA-N 1 2 235.274 1.773 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000602847225 349782258 /nfs/dbraw/zinc/78/22/58/349782258.db2.gz UWCHVCDUFMTXTM-RKDXNWHRSA-N 1 2 235.274 1.773 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)[C@H]1CCSC1 ZINC000162665115 349771516 /nfs/dbraw/zinc/77/15/16/349771516.db2.gz XYGSZHUSNZKTKV-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)[C@H]1CCSC1 ZINC000162665115 349771519 /nfs/dbraw/zinc/77/15/19/349771519.db2.gz XYGSZHUSNZKTKV-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CCSC2)o1 ZINC000162660332 349789151 /nfs/dbraw/zinc/78/91/51/349789151.db2.gz OWJPQUHXRJLGEO-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCSC2)o1 ZINC000162660332 349789154 /nfs/dbraw/zinc/78/91/54/349789154.db2.gz OWJPQUHXRJLGEO-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO C[C@H]1CC[C@@H]2C(=O)N(CCCn3cc[nH+]c3)N=C12 ZINC000634634426 343047122 /nfs/dbraw/zinc/04/71/22/343047122.db2.gz XJOWVDSFEZSRJH-QWRGUYRKSA-N 1 2 246.314 1.518 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCOCC2CC2)o1 ZINC000088600413 259344541 /nfs/dbraw/zinc/34/45/41/259344541.db2.gz ZXBRPQDINKLVCV-SECBINFHSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCOCC2CC2)o1 ZINC000088600413 259344542 /nfs/dbraw/zinc/34/45/42/259344542.db2.gz ZXBRPQDINKLVCV-SECBINFHSA-N 1 2 239.319 1.797 20 0 BDADLO O[C@@H](C[NH+]1CC2(C1)CCCO2)CC(F)(F)F ZINC000634650267 343060612 /nfs/dbraw/zinc/06/06/12/343060612.db2.gz HJAUYYUUVCJACN-MRVPVSSYSA-N 1 2 239.237 1.165 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)C(=O)OC ZINC000308384068 529673512 /nfs/dbraw/zinc/67/35/12/529673512.db2.gz YZDKNLKGJVINEI-DCAQKATOSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H](C)C1(F)F ZINC000625652647 344026455 /nfs/dbraw/zinc/02/64/55/344026455.db2.gz FEMNVWSGTPYQOQ-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H](C)C1(F)F ZINC000625652647 344026457 /nfs/dbraw/zinc/02/64/57/344026457.db2.gz FEMNVWSGTPYQOQ-DTORHVGOSA-N 1 2 244.289 1.538 20 0 BDADLO CCC(CC)Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640939919 362079526 /nfs/dbraw/zinc/07/95/26/362079526.db2.gz XCJCCCUOVDNAMM-LBPRGKRZSA-N 1 2 238.335 1.375 20 0 BDADLO CCC[C@@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640941806 362082938 /nfs/dbraw/zinc/08/29/38/362082938.db2.gz FYXZQXQFVVQCQK-MWLCHTKSSA-N 1 2 224.308 1.300 20 0 BDADLO CCOC(=O)C[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000050066479 343145660 /nfs/dbraw/zinc/14/56/60/343145660.db2.gz NYWDIBZTAQMQRZ-GFCCVEGCSA-N 1 2 245.319 1.025 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000050066479 343145664 /nfs/dbraw/zinc/14/56/64/343145664.db2.gz NYWDIBZTAQMQRZ-GFCCVEGCSA-N 1 2 245.319 1.025 20 0 BDADLO CCCCc1cc(NC[C@H](C)CCO)nc[nH+]1 ZINC000631137076 343134478 /nfs/dbraw/zinc/13/44/78/343134478.db2.gz UPSKTWFQXKFTCM-LLVKDONJSA-N 1 2 237.347 1.672 20 0 BDADLO CCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000163113315 343206261 /nfs/dbraw/zinc/20/62/61/343206261.db2.gz KTKSDJMRONUUMO-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO CCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000163113315 343206263 /nfs/dbraw/zinc/20/62/63/343206263.db2.gz KTKSDJMRONUUMO-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000625275934 343215825 /nfs/dbraw/zinc/21/58/25/343215825.db2.gz QZGGIYXVDXLMMQ-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000625275934 343215827 /nfs/dbraw/zinc/21/58/27/343215827.db2.gz QZGGIYXVDXLMMQ-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CC[C@@H](C)[C@@H](C)Nc1nc[nH+]c(N)c1OC ZINC000134844525 343191079 /nfs/dbraw/zinc/19/10/79/343191079.db2.gz QPHJUCSONMWMOQ-HTQZYQBOSA-N 1 2 224.308 1.914 20 0 BDADLO CC[C@@H](C)[C@@H](C)Nc1[nH+]cnc(N)c1OC ZINC000134844525 343191080 /nfs/dbraw/zinc/19/10/80/343191080.db2.gz QPHJUCSONMWMOQ-HTQZYQBOSA-N 1 2 224.308 1.914 20 0 BDADLO COc1c(N)[nH+]cnc1NCCc1ccccn1 ZINC000134810638 343195335 /nfs/dbraw/zinc/19/53/35/343195335.db2.gz ZOTMIZCFECLOJS-UHFFFAOYSA-N 1 2 245.286 1.117 20 0 BDADLO COc1c(N)nc[nH+]c1NCCc1ccccn1 ZINC000134810638 343195337 /nfs/dbraw/zinc/19/53/37/343195337.db2.gz ZOTMIZCFECLOJS-UHFFFAOYSA-N 1 2 245.286 1.117 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1F ZINC000625314135 343230840 /nfs/dbraw/zinc/23/08/40/343230840.db2.gz MHBYZRLMJCGUMJ-GHMZBOCLSA-N 1 2 244.354 1.829 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1F ZINC000625314135 343230842 /nfs/dbraw/zinc/23/08/42/343230842.db2.gz MHBYZRLMJCGUMJ-GHMZBOCLSA-N 1 2 244.354 1.829 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cnns1)c1ccco1 ZINC000625328226 343234820 /nfs/dbraw/zinc/23/48/20/343234820.db2.gz QIAVWPKRZPSPSB-SECBINFHSA-N 1 2 239.300 1.344 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000032489125 343236197 /nfs/dbraw/zinc/23/61/97/343236197.db2.gz RDCHFYFFDCQGSQ-NEPJUHHUSA-N 1 2 249.358 1.779 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000032489125 343236198 /nfs/dbraw/zinc/23/61/98/343236198.db2.gz RDCHFYFFDCQGSQ-NEPJUHHUSA-N 1 2 249.358 1.779 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000121271719 343265241 /nfs/dbraw/zinc/26/52/41/343265241.db2.gz IOCUYLXVRDPNIG-GHMZBOCLSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)n1cc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000121563113 343268022 /nfs/dbraw/zinc/26/80/22/343268022.db2.gz FBFTXZWWXIVPHP-UHFFFAOYSA-N 1 2 248.290 1.509 20 0 BDADLO Cc1noc(C)c1-c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036045 362148718 /nfs/dbraw/zinc/14/87/18/362148718.db2.gz CBZWMZUZODZXGU-UHFFFAOYSA-N 1 2 244.258 1.321 20 0 BDADLO Cn1c(Cl)cnc1C[NH2+]Cc1cccnc1 ZINC000036804506 343324791 /nfs/dbraw/zinc/32/47/91/343324791.db2.gz MHSWATZYSCIBOA-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO Fc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000036901932 343327218 /nfs/dbraw/zinc/32/72/18/343327218.db2.gz IRIBYSOPRQWHEW-UHFFFAOYSA-N 1 2 223.276 1.967 20 0 BDADLO CN(C)c1ccc(NCc2ccnn2C)c[nH+]1 ZINC000036989119 343329685 /nfs/dbraw/zinc/32/96/85/343329685.db2.gz NBXDAWCWVYUUBA-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO CC(C)n1cc(C[NH+]2CCC(C)(O)CC2)nn1 ZINC000347861087 136293377 /nfs/dbraw/zinc/29/33/77/136293377.db2.gz TUTVRFSWSCIHSM-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000584063016 343311782 /nfs/dbraw/zinc/31/17/82/343311782.db2.gz FNNBQZMWMMDFEO-QMMMGPOBSA-N 1 2 217.276 1.359 20 0 BDADLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000335635461 136300807 /nfs/dbraw/zinc/30/08/07/136300807.db2.gz LMVWZEBEYWYQEA-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000335635461 136300808 /nfs/dbraw/zinc/30/08/08/136300808.db2.gz LMVWZEBEYWYQEA-MWLCHTKSSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc[nH]n1 ZINC000037154357 343336585 /nfs/dbraw/zinc/33/65/85/343336585.db2.gz ITMUKUPSWGAQKQ-NSHDSACASA-N 1 2 222.336 1.374 20 0 BDADLO COCC(COC)Nc1nc(C)[nH+]cc1C ZINC000569866822 323043145 /nfs/dbraw/zinc/04/31/45/323043145.db2.gz AKMFNWQUGGGVEK-UHFFFAOYSA-N 1 2 225.292 1.167 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1F ZINC000335648781 136304626 /nfs/dbraw/zinc/30/46/26/136304626.db2.gz IYWCEVAFYHNYHD-NXEZZACHSA-N 1 2 239.294 1.658 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@H]1F ZINC000335648781 136304627 /nfs/dbraw/zinc/30/46/27/136304627.db2.gz IYWCEVAFYHNYHD-NXEZZACHSA-N 1 2 239.294 1.658 20 0 BDADLO Cc1nc(C[N@@H+](C)C2CC(C)(C)C2)no1 ZINC000335657472 136307082 /nfs/dbraw/zinc/30/70/82/136307082.db2.gz UJAGXWAWQXWZKY-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)C2CC(C)(C)C2)no1 ZINC000335657472 136307083 /nfs/dbraw/zinc/30/70/83/136307083.db2.gz UJAGXWAWQXWZKY-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1cc(NC(C)(C)CO)nc(C2CC2)[nH+]1 ZINC000079038101 343394871 /nfs/dbraw/zinc/39/48/71/343394871.db2.gz WGIGBGXKJIUJTF-UHFFFAOYSA-N 1 2 221.304 1.845 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1ccc(F)cn1 ZINC000335689824 136324657 /nfs/dbraw/zinc/32/46/57/136324657.db2.gz SLFSLVITJLWGNT-NSHDSACASA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1ccc(F)cn1 ZINC000335689824 136324658 /nfs/dbraw/zinc/32/46/58/136324658.db2.gz SLFSLVITJLWGNT-NSHDSACASA-N 1 2 242.319 1.130 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)on1 ZINC000335690250 136324690 /nfs/dbraw/zinc/32/46/90/136324690.db2.gz UUISCJWOLCDGOF-IUCAKERBSA-N 1 2 223.276 1.404 20 0 BDADLO CSC1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000335693312 136325762 /nfs/dbraw/zinc/32/57/62/136325762.db2.gz SGVBIZNPNLBAKJ-VIFPVBQESA-N 1 2 228.361 1.045 20 0 BDADLO CSC1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000335693312 136325763 /nfs/dbraw/zinc/32/57/63/136325763.db2.gz SGVBIZNPNLBAKJ-VIFPVBQESA-N 1 2 228.361 1.045 20 0 BDADLO O=C(c1ccnc(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000041039938 343413603 /nfs/dbraw/zinc/41/36/03/343413603.db2.gz TXPWLGDVEDKXRD-UHFFFAOYSA-N 1 2 249.289 1.141 20 0 BDADLO Cc1cn2cc(NC(=O)[C@@H]3CCCO3)ccc2[nH+]1 ZINC000041305023 343418971 /nfs/dbraw/zinc/41/89/71/343418971.db2.gz MHGFMQSNFDOONZ-NSHDSACASA-N 1 2 245.282 1.760 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)nn1 ZINC000349403491 136344510 /nfs/dbraw/zinc/34/45/10/136344510.db2.gz BVSHFLPBYSZNBV-PWSUYJOCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)nn1 ZINC000349403491 136344511 /nfs/dbraw/zinc/34/45/11/136344511.db2.gz BVSHFLPBYSZNBV-PWSUYJOCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000335722480 136346256 /nfs/dbraw/zinc/34/62/56/136346256.db2.gz HPIYPSKUVSKFJI-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000335722480 136346257 /nfs/dbraw/zinc/34/62/57/136346257.db2.gz HPIYPSKUVSKFJI-JTQLQIEISA-N 1 2 228.336 1.010 20 0 BDADLO Cc1cc(NC(=O)C[C@H]2C[C@@H]2C)cc[nH+]1 ZINC000335724024 136346695 /nfs/dbraw/zinc/34/66/95/136346695.db2.gz KRDYZYUMLYZHMY-WCBMZHEXSA-N 1 2 204.273 1.797 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccncc1 ZINC000042511338 343441339 /nfs/dbraw/zinc/44/13/39/343441339.db2.gz MXNOVBCBORNKNO-JTQLQIEISA-N 1 2 230.271 1.097 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CC[C@@H]2C)cc[nH+]1 ZINC000335732708 136349538 /nfs/dbraw/zinc/34/95/38/136349538.db2.gz QGWLKHOLCJNNSS-GZMMTYOYSA-N 1 2 219.288 1.732 20 0 BDADLO Cn1cc(C[NH+]2CC(C3CCC3)C2)nn1 ZINC000335735939 136350141 /nfs/dbraw/zinc/35/01/41/136350141.db2.gz OQTCEYKAOJYWFR-UHFFFAOYSA-N 1 2 206.293 1.047 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349203901 136331225 /nfs/dbraw/zinc/33/12/25/136331225.db2.gz TUOVRZRISUQIHU-UWVGGRQHSA-N 1 2 239.319 1.582 20 0 BDADLO CC(C)C[C@@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641092917 362219608 /nfs/dbraw/zinc/21/96/08/362219608.db2.gz NRFPBNJXVOBUEM-ZYHUDNBSSA-N 1 2 238.335 1.546 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000042307586 343434531 /nfs/dbraw/zinc/43/45/31/343434531.db2.gz NLOCKDYGNMGQHI-ZWNOBZJWSA-N 1 2 233.311 1.695 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H](O)CSC ZINC000187802246 259361909 /nfs/dbraw/zinc/36/19/09/259361909.db2.gz DGDMFYDBGDYYCK-MRVPVSSYSA-N 1 2 227.320 1.687 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H](O)CSC ZINC000187802246 259361911 /nfs/dbraw/zinc/36/19/11/259361911.db2.gz DGDMFYDBGDYYCK-MRVPVSSYSA-N 1 2 227.320 1.687 20 0 BDADLO C[C@H]1CCC[C@H](C)C1[NH2+]CCn1cncn1 ZINC000167011000 136367956 /nfs/dbraw/zinc/36/79/56/136367956.db2.gz RNEWFJFQDNHSNF-QWRGUYRKSA-N 1 2 222.336 1.692 20 0 BDADLO C/C=C/c1cn(CCn2cc[nH+]c2)nn1 ZINC000641123122 362231550 /nfs/dbraw/zinc/23/15/50/362231550.db2.gz FQPNNMMJIBXXRK-NSCUHMNNSA-N 1 2 203.249 1.208 20 0 BDADLO CC1(C)COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000082680191 343459119 /nfs/dbraw/zinc/45/91/19/343459119.db2.gz ZKNWXHCHYVBYAL-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO CC1(C)COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000082680191 343459121 /nfs/dbraw/zinc/45/91/21/343459121.db2.gz ZKNWXHCHYVBYAL-ZETCQYMHSA-N 1 2 227.226 1.020 20 0 BDADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000271193026 136374988 /nfs/dbraw/zinc/37/49/88/136374988.db2.gz QJKMDNLPSUNXEM-RKDXNWHRSA-N 1 2 249.236 1.297 20 0 BDADLO O[C@H]([C@H]1CCC[N@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000271193026 136374989 /nfs/dbraw/zinc/37/49/89/136374989.db2.gz QJKMDNLPSUNXEM-RKDXNWHRSA-N 1 2 249.236 1.297 20 0 BDADLO CC(C)=CC[NH+]1CCN([S@](C)(=N)=O)CC1 ZINC000877792810 583347712 /nfs/dbraw/zinc/34/77/12/583347712.db2.gz QKBVWBZHBHXZHE-HNNXBMFYSA-N 1 2 231.365 1.162 20 0 BDADLO Cn1cc[nH+]c1C[S@@](=O)c1ccccc1F ZINC000082821951 343467633 /nfs/dbraw/zinc/46/76/33/343467633.db2.gz YNXKXPOXILVZMZ-INIZCTEOSA-N 1 2 238.287 1.867 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)c1ccccc1F ZINC000082821952 343467704 /nfs/dbraw/zinc/46/77/04/343467704.db2.gz YNXKXPOXILVZMZ-MRXNPFEDSA-N 1 2 238.287 1.867 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000631299196 343509751 /nfs/dbraw/zinc/50/97/51/343509751.db2.gz VMJHKXYEHBWZES-JTQLQIEISA-N 1 2 231.303 1.539 20 0 BDADLO CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000044622064 343510202 /nfs/dbraw/zinc/51/02/02/343510202.db2.gz FIZULFHKDWCANE-AWEZNQCLSA-N 1 2 248.326 1.196 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000310496304 343518537 /nfs/dbraw/zinc/51/85/37/343518537.db2.gz PTFYMQXAGHNKFC-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000310496304 343518539 /nfs/dbraw/zinc/51/85/39/343518539.db2.gz PTFYMQXAGHNKFC-JTQLQIEISA-N 1 2 238.287 1.368 20 0 BDADLO CCSCCNc1ccc(-n2cncn2)c[nH+]1 ZINC000616742139 343556503 /nfs/dbraw/zinc/55/65/03/343556503.db2.gz UYRFXZZEPPANJT-UHFFFAOYSA-N 1 2 249.343 1.249 20 0 BDADLO CCc1nc(C)c(CNCc2[nH+]cc(C)n2C)o1 ZINC000494302825 529725240 /nfs/dbraw/zinc/72/52/40/529725240.db2.gz DBDVEBVBDCZCEO-UHFFFAOYSA-N 1 2 248.330 1.877 20 0 BDADLO COC(=O)C[N@H+](C)CCOc1cccc(C)c1 ZINC000048583941 343584102 /nfs/dbraw/zinc/58/41/02/343584102.db2.gz LGFKYWHLKFFXDQ-UHFFFAOYSA-N 1 2 237.299 1.479 20 0 BDADLO COC(=O)C[N@@H+](C)CCOc1cccc(C)c1 ZINC000048583941 343584103 /nfs/dbraw/zinc/58/41/03/343584103.db2.gz LGFKYWHLKFFXDQ-UHFFFAOYSA-N 1 2 237.299 1.479 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000048780757 343587791 /nfs/dbraw/zinc/58/77/91/343587791.db2.gz FQAGQPAFOXNBDJ-VIFPVBQESA-N 1 2 247.298 1.911 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)CC1CC1 ZINC000580570377 365774994 /nfs/dbraw/zinc/77/49/94/365774994.db2.gz WCDKMQLMWMHOHR-UHFFFAOYSA-N 1 2 207.277 1.319 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](n3cccn3)C2)[nH]c1C ZINC000628290342 346947953 /nfs/dbraw/zinc/94/79/53/346947953.db2.gz ZSYOTIDGGUBDJF-GFCCVEGCSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](n3cccn3)C2)[nH]c1C ZINC000628290342 346947955 /nfs/dbraw/zinc/94/79/55/346947955.db2.gz ZSYOTIDGGUBDJF-GFCCVEGCSA-N 1 2 245.330 1.670 20 0 BDADLO COC[C@H](Nc1cc(C)[nH+]cn1)C(C)C ZINC000083402453 343595417 /nfs/dbraw/zinc/59/54/17/343595417.db2.gz ONBQSTQESJXJOU-JTQLQIEISA-N 1 2 209.293 1.868 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H](n3cccn3)C2)[nH+]c1C ZINC000628290342 346947958 /nfs/dbraw/zinc/94/79/58/346947958.db2.gz ZSYOTIDGGUBDJF-GFCCVEGCSA-N 1 2 245.330 1.670 20 0 BDADLO C[C@@H]1C[N@H+](CCC(F)(F)F)CC[S@](=O)C1 ZINC000335863507 344034920 /nfs/dbraw/zinc/03/49/20/344034920.db2.gz XMBCAXUVLOFSGS-GLEZIHRCSA-N 1 2 243.294 1.639 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[S@](=O)C1 ZINC000335863507 344034921 /nfs/dbraw/zinc/03/49/21/344034921.db2.gz XMBCAXUVLOFSGS-GLEZIHRCSA-N 1 2 243.294 1.639 20 0 BDADLO C[C@@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)[C@@H](C)O1 ZINC000384555071 343617138 /nfs/dbraw/zinc/61/71/38/343617138.db2.gz GUKWGMWNGRIZPK-QYNIQEEDSA-N 1 2 242.710 1.690 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)[C@@H](C)O1 ZINC000384555071 343617141 /nfs/dbraw/zinc/61/71/41/343617141.db2.gz GUKWGMWNGRIZPK-QYNIQEEDSA-N 1 2 242.710 1.690 20 0 BDADLO CCCN(C(=O)[C@H]1COCC[N@@H+]1CC)C(C)C ZINC000622742533 343599134 /nfs/dbraw/zinc/59/91/34/343599134.db2.gz NCGUCWYRGIVWJV-GFCCVEGCSA-N 1 2 242.363 1.354 20 0 BDADLO CCCN(C(=O)[C@H]1COCC[N@H+]1CC)C(C)C ZINC000622742533 343599136 /nfs/dbraw/zinc/59/91/36/343599136.db2.gz NCGUCWYRGIVWJV-GFCCVEGCSA-N 1 2 242.363 1.354 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1cn[nH]c1C ZINC000602940136 349825650 /nfs/dbraw/zinc/82/56/50/349825650.db2.gz WIQCCEPCTUZUSN-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1cn[nH]c1C ZINC000602940136 349825651 /nfs/dbraw/zinc/82/56/51/349825651.db2.gz WIQCCEPCTUZUSN-UHFFFAOYSA-N 1 2 239.319 1.493 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC(C)C)C(C)(C)C ZINC000119082151 343631897 /nfs/dbraw/zinc/63/18/97/343631897.db2.gz YMNMLANAHUKLMU-SNVBAGLBSA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)OC)C(C)(C)C ZINC000379983023 343663667 /nfs/dbraw/zinc/66/36/67/343663667.db2.gz IMILVAZLHKXUEM-BDAKNGLRSA-N 1 2 217.309 1.199 20 0 BDADLO C[C@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000088052643 343698728 /nfs/dbraw/zinc/69/87/28/343698728.db2.gz IKULANXMCZBLPT-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1ccccc1F ZINC000048048336 343705385 /nfs/dbraw/zinc/70/53/85/343705385.db2.gz MIASQLJORQLMHU-UHFFFAOYSA-N 1 2 238.306 1.913 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1ccccc1F ZINC000048048336 343705387 /nfs/dbraw/zinc/70/53/87/343705387.db2.gz MIASQLJORQLMHU-UHFFFAOYSA-N 1 2 238.306 1.913 20 0 BDADLO Cc1cnc(CN2CCc3[nH+]c[nH]c3C2)nc1 ZINC000625436144 343733654 /nfs/dbraw/zinc/73/36/54/343733654.db2.gz FTGJSXRKJYPIAK-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CC[NH+]1CCN(C(=O)c2c(C)noc2C)CC1 ZINC000060617075 343719838 /nfs/dbraw/zinc/71/98/38/343719838.db2.gz YGLRSZSRZOPDMS-UHFFFAOYSA-N 1 2 237.303 1.069 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CCCOC ZINC000154672616 323057963 /nfs/dbraw/zinc/05/79/63/323057963.db2.gz YOFUMMFLHDLJCY-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CCCOC ZINC000154672616 323057964 /nfs/dbraw/zinc/05/79/64/323057964.db2.gz YOFUMMFLHDLJCY-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO COCC[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000088495743 343726350 /nfs/dbraw/zinc/72/63/50/343726350.db2.gz DEJYXNOBLYKGCB-QMMMGPOBSA-N 1 2 227.333 1.884 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000576877688 343762776 /nfs/dbraw/zinc/76/27/76/343762776.db2.gz GSLYFJYBJNAMTA-WOPDTQHZSA-N 1 2 247.342 1.702 20 0 BDADLO Clc1nccnc1N1CC[NH+](C2CC2)CC1 ZINC000043537993 343780591 /nfs/dbraw/zinc/78/05/91/343780591.db2.gz QOPNNANJOGAPQU-UHFFFAOYSA-N 1 2 238.722 1.414 20 0 BDADLO C[C@H]1CCC[C@H](C)N1c1cc(N)nc[nH+]1 ZINC000409427578 343801254 /nfs/dbraw/zinc/80/12/54/343801254.db2.gz AOVQNOVQHOGPCA-IUCAKERBSA-N 1 2 206.293 1.826 20 0 BDADLO COc1nn(C)cc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000336673564 537823164 /nfs/dbraw/zinc/82/31/64/537823164.db2.gz HVWDTVYAHXIUGV-SSDOTTSWSA-N 1 2 221.264 1.325 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2nccs2)[C@@H](C)C1 ZINC000672190370 488243772 /nfs/dbraw/zinc/24/37/72/488243772.db2.gz QRHXETDICIQGGB-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2nccs2)[C@@H](C)C1 ZINC000672190370 488243774 /nfs/dbraw/zinc/24/37/74/488243774.db2.gz QRHXETDICIQGGB-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)no1 ZINC000188022841 347005763 /nfs/dbraw/zinc/00/57/63/347005763.db2.gz OQTGMAHCPVDWLC-JOYOIKCWSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)no1 ZINC000188022841 347005765 /nfs/dbraw/zinc/00/57/65/347005765.db2.gz OQTGMAHCPVDWLC-JOYOIKCWSA-N 1 2 239.319 1.361 20 0 BDADLO C[C@@H](N[C@@H](C)c1[nH]cc[nH+]1)c1ccon1 ZINC000336745532 537834518 /nfs/dbraw/zinc/83/45/18/537834518.db2.gz BGYKTFXLDXRVQU-SFYZADRCSA-N 1 2 206.249 1.810 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccccc1 ZINC000008746679 347009669 /nfs/dbraw/zinc/00/96/69/347009669.db2.gz FKSYIDUQDYXPLM-UHFFFAOYSA-N 1 2 229.283 1.590 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2ncnn2C)s1 ZINC000393744351 343922467 /nfs/dbraw/zinc/92/24/67/343922467.db2.gz DZVAKJAQMJKPKG-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C12CC(C1)C2 ZINC000626213055 347016918 /nfs/dbraw/zinc/01/69/18/347016918.db2.gz HMDBWOOISJPZEN-JVVWGOMOSA-N 1 2 231.299 1.183 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C12CC(C1)C2 ZINC000626213055 347016919 /nfs/dbraw/zinc/01/69/19/347016919.db2.gz HMDBWOOISJPZEN-JVVWGOMOSA-N 1 2 231.299 1.183 20 0 BDADLO Cc1c[nH]c(CN(C)CC(=O)NC(C)(C)C)[nH+]1 ZINC000628122960 343975239 /nfs/dbraw/zinc/97/52/39/343975239.db2.gz UFLJERSQAWGFQH-UHFFFAOYSA-N 1 2 238.335 1.065 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1Cc1[nH]cc(C)[nH+]1 ZINC000628119580 343967759 /nfs/dbraw/zinc/96/77/59/343967759.db2.gz AWGKEUMWHOGICH-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CCCc1nc(C[N@H+](C)CC2(C)COC2)no1 ZINC000625788162 344074747 /nfs/dbraw/zinc/07/47/47/344074747.db2.gz KJLGQIGOAOWYET-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1nc(C[N@@H+](C)CC2(C)COC2)no1 ZINC000625788162 344074750 /nfs/dbraw/zinc/07/47/50/344074750.db2.gz KJLGQIGOAOWYET-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC2(C)COC2)o1 ZINC000625787867 344074799 /nfs/dbraw/zinc/07/47/99/344074799.db2.gz CXIHQMDRRQHLIZ-UHFFFAOYSA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC2(C)COC2)o1 ZINC000625787867 344074800 /nfs/dbraw/zinc/07/48/00/344074800.db2.gz CXIHQMDRRQHLIZ-UHFFFAOYSA-N 1 2 239.319 1.661 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625723891 344056727 /nfs/dbraw/zinc/05/67/27/344056727.db2.gz ACJBNFNEDXHYLL-JTQLQIEISA-N 1 2 248.326 1.623 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625723891 344056728 /nfs/dbraw/zinc/05/67/28/344056728.db2.gz ACJBNFNEDXHYLL-JTQLQIEISA-N 1 2 248.326 1.623 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1C ZINC000641243698 362318766 /nfs/dbraw/zinc/31/87/66/362318766.db2.gz MXWJTMIJMDJDJC-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1C ZINC000641243698 362318773 /nfs/dbraw/zinc/31/87/73/362318773.db2.gz MXWJTMIJMDJDJC-RKDXNWHRSA-N 1 2 207.277 1.209 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCC(F)(F)CC2)o1 ZINC000625767833 344069060 /nfs/dbraw/zinc/06/90/60/344069060.db2.gz WUGDZXNWHYUGAJ-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO Cc1nnc(C[N@H+]2CCCC(F)(F)CC2)o1 ZINC000625767833 344069063 /nfs/dbraw/zinc/06/90/63/344069063.db2.gz WUGDZXNWHYUGAJ-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1nccc2occc21 ZINC000624620155 344106232 /nfs/dbraw/zinc/10/62/32/344106232.db2.gz WLKVMYLWZPZHST-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1nccc2occc21 ZINC000624620155 344106233 /nfs/dbraw/zinc/10/62/33/344106233.db2.gz WLKVMYLWZPZHST-JTQLQIEISA-N 1 2 247.298 1.570 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)c1nnc2n1CCC2 ZINC000641276357 362341279 /nfs/dbraw/zinc/34/12/79/362341279.db2.gz DESPGPLFVCFAPD-QMMMGPOBSA-N 1 2 247.277 1.353 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(CO)ccn1 ZINC000641288437 362345643 /nfs/dbraw/zinc/34/56/43/362345643.db2.gz SVEQNOCKEWTNJK-SNVBAGLBSA-N 1 2 232.287 1.271 20 0 BDADLO C[C@H]1[N@H+](CC(=O)N2CCCC2)CCOC1(C)C ZINC000335906193 344084264 /nfs/dbraw/zinc/08/42/64/344084264.db2.gz YZMNJINPJMBLOW-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1[N@@H+](CC(=O)N2CCCC2)CCOC1(C)C ZINC000335906193 344084265 /nfs/dbraw/zinc/08/42/65/344084265.db2.gz YZMNJINPJMBLOW-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1ccc(C[NH2+][C@H](C)c2nncn2C)o1 ZINC000037016816 178631860 /nfs/dbraw/zinc/63/18/60/178631860.db2.gz UQZCNFYUFFIFDX-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@](O)(CNc1cccc[nH+]1)c1ccco1 ZINC000078376647 344096407 /nfs/dbraw/zinc/09/64/07/344096407.db2.gz GSUUCCXHDGGTPL-LBPRGKRZSA-N 1 2 218.256 1.994 20 0 BDADLO FC(F)[C@@H]1CCN(Cc2[nH]cc[nH+]2)CCO1 ZINC000634736017 344125110 /nfs/dbraw/zinc/12/51/10/344125110.db2.gz XNCAQKUSCCMFIN-QMMMGPOBSA-N 1 2 231.246 1.266 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCC1=O ZINC000621959878 344127115 /nfs/dbraw/zinc/12/71/15/344127115.db2.gz HCWLFGQMBFFQAM-SECBINFHSA-N 1 2 249.314 1.125 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628129419 344157253 /nfs/dbraw/zinc/15/72/53/344157253.db2.gz ZVYZNFOWPCALNL-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628129418 344157412 /nfs/dbraw/zinc/15/74/12/344157412.db2.gz ZVYZNFOWPCALNL-JTQLQIEISA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]c(CN(C)C[C@@H]2CCCO2)[nH+]c1C ZINC000628129776 344157733 /nfs/dbraw/zinc/15/77/33/344157733.db2.gz UFVMVMCMCNHWDL-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCO2)[nH]c1C ZINC000628129776 344157735 /nfs/dbraw/zinc/15/77/35/344157735.db2.gz UFVMVMCMCNHWDL-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCO2)[nH]c1C ZINC000628129776 344157737 /nfs/dbraw/zinc/15/77/37/344157737.db2.gz UFVMVMCMCNHWDL-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CO[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641338873 362368995 /nfs/dbraw/zinc/36/89/95/362368995.db2.gz NOKOUVKQGJZOIJ-VIFPVBQESA-N 1 2 210.252 1.836 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCCC[C@H]1C ZINC000588778815 344188074 /nfs/dbraw/zinc/18/80/74/344188074.db2.gz UQYWRLRDNWHHCP-LLVKDONJSA-N 1 2 237.351 1.848 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCCC[C@H]1C ZINC000588778815 344188076 /nfs/dbraw/zinc/18/80/76/344188076.db2.gz UQYWRLRDNWHHCP-LLVKDONJSA-N 1 2 237.351 1.848 20 0 BDADLO Cc1nc(N[C@@H]2CCCC23CC3)nc(N)[nH+]1 ZINC000631417445 344190863 /nfs/dbraw/zinc/19/08/63/344190863.db2.gz AYTWEJSGEKDZGX-MRVPVSSYSA-N 1 2 219.292 1.337 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC23CC3)[nH+]1 ZINC000631417445 344190865 /nfs/dbraw/zinc/19/08/65/344190865.db2.gz AYTWEJSGEKDZGX-MRVPVSSYSA-N 1 2 219.292 1.337 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(C)o1 ZINC000628136069 344201299 /nfs/dbraw/zinc/20/12/99/344201299.db2.gz PXWJZERQLRYIJI-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(C)o1 ZINC000628136069 344201301 /nfs/dbraw/zinc/20/13/01/344201301.db2.gz PXWJZERQLRYIJI-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CCC[C@@H](CCO)Nc1nc[nH+]c(C)c1OC ZINC000631425385 344254154 /nfs/dbraw/zinc/25/41/54/344254154.db2.gz COTXHZOOFMPEME-JTQLQIEISA-N 1 2 239.319 1.757 20 0 BDADLO CC(C)C[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641364389 362377713 /nfs/dbraw/zinc/37/77/13/362377713.db2.gz RFMZFMOFUINQBK-LLVKDONJSA-N 1 2 224.304 1.393 20 0 BDADLO CC[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641367386 362378520 /nfs/dbraw/zinc/37/85/20/362378520.db2.gz JBNIJQYYDVGALT-JQWIXIFHSA-N 1 2 236.315 1.578 20 0 BDADLO CC[N@H+](Cc1cnnn1C)Cc1ccccn1 ZINC000093338659 344313922 /nfs/dbraw/zinc/31/39/22/344313922.db2.gz GIQOUKBXCYIOFL-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CC[N@@H+](Cc1cnnn1C)Cc1ccccn1 ZINC000093338659 344313925 /nfs/dbraw/zinc/31/39/25/344313925.db2.gz GIQOUKBXCYIOFL-UHFFFAOYSA-N 1 2 231.303 1.232 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634782239 344324932 /nfs/dbraw/zinc/32/49/32/344324932.db2.gz GIKDSOXHIVVVDI-AOOOYVTPSA-N 1 2 237.303 1.100 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)no1 ZINC000634782239 344324934 /nfs/dbraw/zinc/32/49/34/344324934.db2.gz GIKDSOXHIVVVDI-AOOOYVTPSA-N 1 2 237.303 1.100 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC12CCC2)c1[nH+]ccn1C ZINC000620603004 344353072 /nfs/dbraw/zinc/35/30/72/344353072.db2.gz GKGHNGBWHRAASK-ZJUUUORDSA-N 1 2 233.315 1.788 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCSC1)c1[nH+]ccn1C ZINC000620602895 344353146 /nfs/dbraw/zinc/35/31/46/344353146.db2.gz FPOMKJBTKPVWHM-IUCAKERBSA-N 1 2 239.344 1.350 20 0 BDADLO CC[C@@H](C)[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641373055 362380961 /nfs/dbraw/zinc/38/09/61/362380961.db2.gz SFQGEXPBJLPSJA-ZWNOBZJWSA-N 1 2 238.331 1.783 20 0 BDADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092616811 344299475 /nfs/dbraw/zinc/29/94/75/344299475.db2.gz OJRGSXQXVPZVRY-UHFFFAOYSA-N 1 2 232.287 1.120 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092616811 344299477 /nfs/dbraw/zinc/29/94/77/344299477.db2.gz OJRGSXQXVPZVRY-UHFFFAOYSA-N 1 2 232.287 1.120 20 0 BDADLO O=C([C@@H]1CC[N@@H+](CC(F)F)C1)N1CCCC1 ZINC000672572851 488260124 /nfs/dbraw/zinc/26/01/24/488260124.db2.gz JVRCGCHUZBRWJC-SECBINFHSA-N 1 2 232.274 1.196 20 0 BDADLO O=C([C@@H]1CC[N@H+](CC(F)F)C1)N1CCCC1 ZINC000672572851 488260126 /nfs/dbraw/zinc/26/01/26/488260126.db2.gz JVRCGCHUZBRWJC-SECBINFHSA-N 1 2 232.274 1.196 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1(C2CCC2)CCC1 ZINC000584275362 344374567 /nfs/dbraw/zinc/37/45/67/344374567.db2.gz AGHHSAZZJJEXHL-UHFFFAOYSA-N 1 2 233.315 1.996 20 0 BDADLO CC[C@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641389754 362388017 /nfs/dbraw/zinc/38/80/17/362388017.db2.gz QBVBKWHKJXSAGQ-SNVBAGLBSA-N 1 2 210.277 1.147 20 0 BDADLO CC1(C)[C@H](Nc2cc[nH+]cc2F)[C@H]2CCO[C@H]21 ZINC000641393427 362390731 /nfs/dbraw/zinc/39/07/31/362390731.db2.gz VBJIYQHASHURDE-GGZOMVNGSA-N 1 2 236.290 1.868 20 0 BDADLO CC[C@@H](O)CCCNc1cc[nH+]cc1F ZINC000641393046 362390619 /nfs/dbraw/zinc/39/06/19/362390619.db2.gz HQUCOALLHWGZAQ-SECBINFHSA-N 1 2 212.268 1.606 20 0 BDADLO COCCOC[C@@H](C)Nc1cc[nH+]cc1F ZINC000641398401 362392498 /nfs/dbraw/zinc/39/24/98/362392498.db2.gz QIHNWJGXQTXDPB-SECBINFHSA-N 1 2 228.267 1.106 20 0 BDADLO C[C@H](O)CC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641393952 362392506 /nfs/dbraw/zinc/39/25/06/362392506.db2.gz KLBREFYEJVOGOG-JTQLQIEISA-N 1 2 238.331 1.783 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000234904610 344466893 /nfs/dbraw/zinc/46/68/93/344466893.db2.gz WMWFTFVORSRKGP-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000234904610 344466895 /nfs/dbraw/zinc/46/68/95/344466895.db2.gz WMWFTFVORSRKGP-VIFPVBQESA-N 1 2 227.695 1.351 20 0 BDADLO C[C@@H](Nc1cc(CO)cc[nH+]1)[C@@H]1CCOC1 ZINC000641399199 362393164 /nfs/dbraw/zinc/39/31/64/362393164.db2.gz ZHRIXOPCTAGBNB-MWLCHTKSSA-N 1 2 222.288 1.411 20 0 BDADLO Cn1c[nH+]c(CSc2nccn2C)c1 ZINC000641411336 362402521 /nfs/dbraw/zinc/40/25/21/362402521.db2.gz YRXIMEDBIMLCLP-UHFFFAOYSA-N 1 2 208.290 1.446 20 0 BDADLO CCC[C@H](CCO)CNc1cc(CO)cc[nH+]1 ZINC000641407170 362398488 /nfs/dbraw/zinc/39/84/88/362398488.db2.gz XPBXKYGKNQRVHW-LLVKDONJSA-N 1 2 238.331 1.785 20 0 BDADLO CCN(C[C@H]1CCOC1)c1cc(CO)cc[nH+]1 ZINC000641451470 362426187 /nfs/dbraw/zinc/42/61/87/362426187.db2.gz SHJVTHQKMNGBBZ-GFCCVEGCSA-N 1 2 236.315 1.437 20 0 BDADLO C[C@@H](O)[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641453247 362427760 /nfs/dbraw/zinc/42/77/60/362427760.db2.gz RPCHORCPIMPIMD-ZJUUUORDSA-N 1 2 224.279 1.818 20 0 BDADLO Cc1ccc(SCCn2cc[nH+]c2)nn1 ZINC000641456497 362429362 /nfs/dbraw/zinc/42/93/62/362429362.db2.gz PVUYBEMAPIDCFB-UHFFFAOYSA-N 1 2 220.301 1.774 20 0 BDADLO Fc1c[nH+]ccc1N1CCOC2(CCC2)C1 ZINC000641468400 362436552 /nfs/dbraw/zinc/43/65/52/362436552.db2.gz CKEAXOCSLMPRCL-UHFFFAOYSA-N 1 2 222.263 1.980 20 0 BDADLO CCc1nc(C[N@H+](CCO)C2CC2)cs1 ZINC000048065458 344582661 /nfs/dbraw/zinc/58/26/61/344582661.db2.gz RIRYNIINDHSJJL-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CCc1nc(C[N@@H+](CCO)C2CC2)cs1 ZINC000048065458 344582662 /nfs/dbraw/zinc/58/26/62/344582662.db2.gz RIRYNIINDHSJJL-UHFFFAOYSA-N 1 2 226.345 1.662 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573980397 344586180 /nfs/dbraw/zinc/58/61/80/344586180.db2.gz VYKPNTUUQPWZHO-VHSXEESVSA-N 1 2 223.320 1.845 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573980397 344586183 /nfs/dbraw/zinc/58/61/83/344586183.db2.gz VYKPNTUUQPWZHO-VHSXEESVSA-N 1 2 223.320 1.845 20 0 BDADLO COC(=O)C[N@H+](C)CCOCCC(C)C ZINC000048446385 344587125 /nfs/dbraw/zinc/58/71/25/344587125.db2.gz NIXIODFIDFAXPY-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO COC(=O)C[N@@H+](C)CCOCCC(C)C ZINC000048446385 344587126 /nfs/dbraw/zinc/58/71/26/344587126.db2.gz NIXIODFIDFAXPY-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO C[C@H](CO[C@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641428120 362411639 /nfs/dbraw/zinc/41/16/39/362411639.db2.gz DHHIHHJIKGIUTR-ZJUUUORDSA-N 1 2 240.278 1.249 20 0 BDADLO CC1(O)CCN(c2cc[nH+]cc2F)CC1 ZINC000641436783 362417382 /nfs/dbraw/zinc/41/73/82/362417382.db2.gz YYVDNACHRGYSPM-UHFFFAOYSA-N 1 2 210.252 1.572 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641476126 362448560 /nfs/dbraw/zinc/44/85/60/362448560.db2.gz XOABDDSCZDIVEZ-ONGXEEELSA-N 1 2 222.288 1.553 20 0 BDADLO COC1(CNc2cc[nH+]cc2F)CCC1 ZINC000641484514 362452272 /nfs/dbraw/zinc/45/22/72/362452272.db2.gz RSQKFWDKBUGCJC-UHFFFAOYSA-N 1 2 210.252 1.624 20 0 BDADLO Fc1c[nH+]ccc1NCC[C@H]1CCOC1 ZINC000641486600 362453567 /nfs/dbraw/zinc/45/35/67/362453567.db2.gz GBXQWCPNVUNTMT-VIFPVBQESA-N 1 2 210.252 1.481 20 0 BDADLO Fc1c[nH+]ccc1NCCOCC1CCC1 ZINC000641491193 362459408 /nfs/dbraw/zinc/45/94/08/362459408.db2.gz NJTZNFKTYJWVFK-UHFFFAOYSA-N 1 2 224.279 1.871 20 0 BDADLO C[C@H]1COCC[C@H]1Nc1cc[nH+]cc1F ZINC000641537622 362487914 /nfs/dbraw/zinc/48/79/14/362487914.db2.gz OIIQFHCNRKSMNW-WCBMZHEXSA-N 1 2 210.252 1.480 20 0 BDADLO Cn1nccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028573 344681092 /nfs/dbraw/zinc/68/10/92/344681092.db2.gz PECWPVTTZMWINL-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1nccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000626028573 344681094 /nfs/dbraw/zinc/68/10/94/344681094.db2.gz PECWPVTTZMWINL-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626004648 344666191 /nfs/dbraw/zinc/66/61/91/344666191.db2.gz LQUVUVXMEUQCBE-GFCCVEGCSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cccnc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000626004648 344666193 /nfs/dbraw/zinc/66/61/93/344666193.db2.gz LQUVUVXMEUQCBE-GFCCVEGCSA-N 1 2 238.306 1.950 20 0 BDADLO CN(Cc1ccoc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493720726 530011841 /nfs/dbraw/zinc/01/18/41/530011841.db2.gz IWFCWJWUYKUGMC-IHWYPQMZSA-N 1 2 231.255 1.675 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ncn1 ZINC000626005485 344668554 /nfs/dbraw/zinc/66/85/54/344668554.db2.gz DBMGCRHWUCTNDP-LBPRGKRZSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ncn1 ZINC000626005485 344668556 /nfs/dbraw/zinc/66/85/56/344668556.db2.gz DBMGCRHWUCTNDP-LBPRGKRZSA-N 1 2 239.294 1.345 20 0 BDADLO CSC[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000603297627 349915247 /nfs/dbraw/zinc/91/52/47/349915247.db2.gz UTMONGURZHLXBD-NSHDSACASA-N 1 2 242.344 1.100 20 0 BDADLO Oc1cccc2c1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000626026956 344679704 /nfs/dbraw/zinc/67/97/04/344679704.db2.gz GMCWUEKKLNLYRM-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OCC1CC1 ZINC000496180214 530016379 /nfs/dbraw/zinc/01/63/79/530016379.db2.gz GSKRHKTUPQHWDW-UHFFFAOYSA-N 1 2 209.249 1.388 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OCC1CC1 ZINC000496180214 530016381 /nfs/dbraw/zinc/01/63/81/530016381.db2.gz GSKRHKTUPQHWDW-UHFFFAOYSA-N 1 2 209.249 1.388 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995210 344739027 /nfs/dbraw/zinc/73/90/27/344739027.db2.gz CJFTYHWCHQBVBO-VXGBXAGGSA-N 1 2 239.315 1.732 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995210 344739029 /nfs/dbraw/zinc/73/90/29/344739029.db2.gz CJFTYHWCHQBVBO-VXGBXAGGSA-N 1 2 239.315 1.732 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626047071 344698481 /nfs/dbraw/zinc/69/84/81/344698481.db2.gz BUPYCEFODQPUNG-HLTSFMKQSA-N 1 2 227.333 1.302 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626047071 344698483 /nfs/dbraw/zinc/69/84/83/344698483.db2.gz BUPYCEFODQPUNG-HLTSFMKQSA-N 1 2 227.333 1.302 20 0 BDADLO Cc1nc(N(C)C2CCOCC2)cc[nH+]1 ZINC000074775510 344759003 /nfs/dbraw/zinc/75/90/03/344759003.db2.gz OWBHBKZCGQKXHL-UHFFFAOYSA-N 1 2 207.277 1.400 20 0 BDADLO CCC[N@H+](CCO)Cc1csc(COC)n1 ZINC000075636912 344782460 /nfs/dbraw/zinc/78/24/60/344782460.db2.gz HVAMFFAPBRPMSY-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO CCC[N@@H+](CCO)Cc1csc(COC)n1 ZINC000075636912 344782461 /nfs/dbraw/zinc/78/24/61/344782461.db2.gz HVAMFFAPBRPMSY-UHFFFAOYSA-N 1 2 244.360 1.494 20 0 BDADLO C[C@@]1(C(=O)NCCNc2cccc[nH+]2)C[C@H]1F ZINC000425149407 192077210 /nfs/dbraw/zinc/07/72/10/192077210.db2.gz WKMZZGSGDBEZON-BXKDBHETSA-N 1 2 237.278 1.358 20 0 BDADLO CC(C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076048876 344793455 /nfs/dbraw/zinc/79/34/55/344793455.db2.gz YVHKCYRJLCGHFS-SNVBAGLBSA-N 1 2 236.319 1.707 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H]1CCCO1 ZINC000076823356 344806960 /nfs/dbraw/zinc/80/69/60/344806960.db2.gz CRHUFTTVSQZDMB-DZHLUBAWSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H]1CCCO1 ZINC000076823356 344806962 /nfs/dbraw/zinc/80/69/62/344806962.db2.gz CRHUFTTVSQZDMB-DZHLUBAWSA-N 1 2 231.361 1.007 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2cscn2)c[nH+]1 ZINC000077005504 344812264 /nfs/dbraw/zinc/81/22/64/344812264.db2.gz ITKHADFFAJVRLU-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CCS(C)(=O)=O ZINC000076304519 344800920 /nfs/dbraw/zinc/80/09/20/344800920.db2.gz NHSKKPMDUPNNCC-SNVBAGLBSA-N 1 2 242.344 1.119 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CCS(C)(=O)=O ZINC000076304519 344800921 /nfs/dbraw/zinc/80/09/21/344800921.db2.gz NHSKKPMDUPNNCC-SNVBAGLBSA-N 1 2 242.344 1.119 20 0 BDADLO Cc1cocc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000628149051 344835583 /nfs/dbraw/zinc/83/55/83/344835583.db2.gz KVUUXBZDLWPJPK-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000408471735 344831811 /nfs/dbraw/zinc/83/18/11/344831811.db2.gz ZRBZAQBCGJLIPY-BDAKNGLRSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCCO[C@H](C)C2)[nH]1 ZINC000408471735 344831813 /nfs/dbraw/zinc/83/18/13/344831813.db2.gz ZRBZAQBCGJLIPY-BDAKNGLRSA-N 1 2 224.308 1.285 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@@H](C)O1 ZINC000628155314 344846483 /nfs/dbraw/zinc/84/64/83/344846483.db2.gz WCJIUJRONZNMED-GHMZBOCLSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@H](C)O1 ZINC000628155316 344847234 /nfs/dbraw/zinc/84/72/34/344847234.db2.gz WCJIUJRONZNMED-QWRGUYRKSA-N 1 2 223.320 1.717 20 0 BDADLO COc1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000078342985 344849208 /nfs/dbraw/zinc/84/92/08/344849208.db2.gz XEMDMHGNMHLWRJ-UHFFFAOYSA-N 1 2 245.282 1.921 20 0 BDADLO C[C@@](O)(CNc1cccc[nH+]1)c1ccco1 ZINC000078376646 344856737 /nfs/dbraw/zinc/85/67/37/344856737.db2.gz GSUUCCXHDGGTPL-GFCCVEGCSA-N 1 2 218.256 1.994 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1cnn(C)c1 ZINC000078307116 344844211 /nfs/dbraw/zinc/84/42/11/344844211.db2.gz YSAULUVLIIFGNE-SECBINFHSA-N 1 2 202.261 1.988 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CC1CC1 ZINC000078427658 344867204 /nfs/dbraw/zinc/86/72/04/344867204.db2.gz YXGASQFVXJTWCM-UHFFFAOYSA-N 1 2 207.277 1.179 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC(C)(C)[C@H]2C)o1 ZINC000628178792 344913262 /nfs/dbraw/zinc/91/32/62/344913262.db2.gz CEUQOVKCWLYEJY-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC(C)(C)[C@H]2C)o1 ZINC000628178792 344913265 /nfs/dbraw/zinc/91/32/65/344913265.db2.gz CEUQOVKCWLYEJY-SECBINFHSA-N 1 2 224.304 1.982 20 0 BDADLO COc1ncccc1C[NH2+]Cc1nccs1 ZINC000082394180 344903383 /nfs/dbraw/zinc/90/33/83/344903383.db2.gz RHZMXDJYIUPWSC-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CCC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CCO1 ZINC000628179027 344913303 /nfs/dbraw/zinc/91/33/03/344913303.db2.gz LRSMBICVWWSJKV-LLVKDONJSA-N 1 2 223.320 1.719 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)N1CCn2c[nH+]cc2C1 ZINC000583414499 344917067 /nfs/dbraw/zinc/91/70/67/344917067.db2.gz GZTJGKYODMOKMR-LLVKDONJSA-N 1 2 246.314 1.517 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CC[C@H](O)C2)c1 ZINC000641550853 362496601 /nfs/dbraw/zinc/49/66/01/362496601.db2.gz XWNYZNNDFGRSJT-ONGXEEELSA-N 1 2 222.288 1.147 20 0 BDADLO CCC[C@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000079256755 344948374 /nfs/dbraw/zinc/94/83/74/344948374.db2.gz RWJJZDODRLDPLI-NSHDSACASA-N 1 2 238.335 1.713 20 0 BDADLO COC(=O)C[N@H+](CCc1ccncc1)C1CC1 ZINC000079499662 344980216 /nfs/dbraw/zinc/98/02/16/344980216.db2.gz DSHLNQUVQWOKSL-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO COC(=O)C[N@@H+](CCc1ccncc1)C1CC1 ZINC000079499662 344980220 /nfs/dbraw/zinc/98/02/20/344980220.db2.gz DSHLNQUVQWOKSL-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cn1 ZINC000153849024 344985886 /nfs/dbraw/zinc/98/58/86/344985886.db2.gz FOPHHPOWXDKORH-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cn1 ZINC000153849024 344985889 /nfs/dbraw/zinc/98/58/89/344985889.db2.gz FOPHHPOWXDKORH-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)C(F)(F)F ZINC000079543278 344987155 /nfs/dbraw/zinc/98/71/55/344987155.db2.gz HJYNOZPWBLLFCE-SSDOTTSWSA-N 1 2 235.209 1.198 20 0 BDADLO C[C@H]1COCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC000641594884 362535704 /nfs/dbraw/zinc/53/57/04/362535704.db2.gz SZZVTVBDRPJWHB-JQWIXIFHSA-N 1 2 236.315 1.658 20 0 BDADLO C[C@H](Cc1cnn(C)c1)Nc1cc[nH+]cc1F ZINC000641622465 362554408 /nfs/dbraw/zinc/55/44/08/362554408.db2.gz VWENJHXGWYQONX-SECBINFHSA-N 1 2 234.278 1.419 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641650071 362574663 /nfs/dbraw/zinc/57/46/63/362574663.db2.gz MVNODDJRVCOWJQ-ZYHUDNBSSA-N 1 2 238.331 1.783 20 0 BDADLO C[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CO1 ZINC000641648419 362574957 /nfs/dbraw/zinc/57/49/57/362574957.db2.gz JNHDIABBQDENOY-WCBMZHEXSA-N 1 2 208.261 1.163 20 0 BDADLO Cc1cc(NCc2cn(C3CCC3)nn2)nc[nH+]1 ZINC000641652088 362579141 /nfs/dbraw/zinc/57/91/41/362579141.db2.gz QCJUBFQGFUQGRR-UHFFFAOYSA-N 1 2 244.302 1.136 20 0 BDADLO CCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155815377 345106815 /nfs/dbraw/zinc/10/68/15/345106815.db2.gz LUKQVKRAMCWGLB-JTQLQIEISA-N 1 2 221.304 1.362 20 0 BDADLO O=C1[C@@H](Nc2cc[nH+]cc2F)C[C@H]2CCCCN12 ZINC000641627377 362558015 /nfs/dbraw/zinc/55/80/15/362558015.db2.gz VMJVZXQVYWFZQW-SKDRFNHKSA-N 1 2 249.289 1.208 20 0 BDADLO C[C@@]12COC[C@@H]1CN(c1cc[nH+]cc1F)C2 ZINC000641658130 362582525 /nfs/dbraw/zinc/58/25/25/362582525.db2.gz BZPRAYQFWLSKIG-JOYOIKCWSA-N 1 2 222.263 1.693 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)c1ccn(C)n1 ZINC000641629958 362560476 /nfs/dbraw/zinc/56/04/76/362560476.db2.gz OVODIZWLALFJJG-MRVPVSSYSA-N 1 2 220.251 1.549 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@H](C3CCC3)C2)c1 ZINC000641631531 362563072 /nfs/dbraw/zinc/56/30/72/362563072.db2.gz DWZMOVAZLMFILJ-ZDUSSCGKSA-N 1 2 248.326 1.579 20 0 BDADLO CN(C)c1cccnc1C[NH2+]Cc1ccon1 ZINC000634981736 345162001 /nfs/dbraw/zinc/16/20/01/345162001.db2.gz QRMFLQNLQNCUKO-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO CCOC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000126588713 345126018 /nfs/dbraw/zinc/12/60/18/345126018.db2.gz JOKWVDDMVFEJOF-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000126588713 345126021 /nfs/dbraw/zinc/12/60/21/345126021.db2.gz JOKWVDDMVFEJOF-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC1 ZINC000635137365 345255930 /nfs/dbraw/zinc/25/59/30/345255930.db2.gz OKMPINJHZNPYLB-MRVPVSSYSA-N 1 2 247.220 1.609 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC1(C)C ZINC000561768345 345229747 /nfs/dbraw/zinc/22/97/47/345229747.db2.gz KNIFOUSKYXCWDC-JTQLQIEISA-N 1 2 221.304 1.267 20 0 BDADLO O=C(NCc1cccs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635099801 345246961 /nfs/dbraw/zinc/24/69/61/345246961.db2.gz NYLSHHMZONOHBK-NXEZZACHSA-N 1 2 247.323 1.891 20 0 BDADLO O=C(NCc1cccs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635099801 345246964 /nfs/dbraw/zinc/24/69/64/345246964.db2.gz NYLSHHMZONOHBK-NXEZZACHSA-N 1 2 247.323 1.891 20 0 BDADLO CCc1c[nH]c(CC(=O)NC(C2CC2)C2CC2)[nH+]1 ZINC000635188079 345267034 /nfs/dbraw/zinc/26/70/34/345267034.db2.gz HBQJGKZWISBWKV-UHFFFAOYSA-N 1 2 247.342 1.819 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635215070 345274025 /nfs/dbraw/zinc/27/40/25/345274025.db2.gz KLJQVLPRFJXDMD-NXEZZACHSA-N 1 2 219.288 1.524 20 0 BDADLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635215070 345274027 /nfs/dbraw/zinc/27/40/27/345274027.db2.gz KLJQVLPRFJXDMD-NXEZZACHSA-N 1 2 219.288 1.524 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cnn(CC)c2)[nH+]1 ZINC000635283980 345295074 /nfs/dbraw/zinc/29/50/74/345295074.db2.gz YYANVUNVOPLZHX-UHFFFAOYSA-N 1 2 247.302 1.370 20 0 BDADLO Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000635338240 345312489 /nfs/dbraw/zinc/31/24/89/345312489.db2.gz QOBKZLFKXGAFIJ-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000635338240 345312491 /nfs/dbraw/zinc/31/24/91/345312491.db2.gz QOBKZLFKXGAFIJ-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO COC(=O)c1cccc(COc2cc[nH+]cc2)n1 ZINC000562390261 345372730 /nfs/dbraw/zinc/37/27/30/345372730.db2.gz KOQCFDYYSSJCNA-UHFFFAOYSA-N 1 2 244.250 1.842 20 0 BDADLO CCc1c[nH]c(CC(=O)N(C)[C@H](C)CC)[nH+]1 ZINC000635462498 345382830 /nfs/dbraw/zinc/38/28/30/345382830.db2.gz SEDTXPMEEGYLFV-SECBINFHSA-N 1 2 223.320 1.772 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ncnn1C ZINC000381346046 345428901 /nfs/dbraw/zinc/42/89/01/345428901.db2.gz ZBULFWSAWJWXPF-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635486189 345394156 /nfs/dbraw/zinc/39/41/56/345394156.db2.gz CWZXFPBVPPNBJQ-GMTAPVOTSA-N 1 2 233.315 1.914 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635486189 345394160 /nfs/dbraw/zinc/39/41/60/345394160.db2.gz CWZXFPBVPPNBJQ-GMTAPVOTSA-N 1 2 233.315 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1C1CC1 ZINC000635496778 345399066 /nfs/dbraw/zinc/39/90/66/345399066.db2.gz SKGQIKNSCCQQPQ-WZRBSPASSA-N 1 2 245.326 1.914 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1C1CC1 ZINC000635496778 345399069 /nfs/dbraw/zinc/39/90/69/345399069.db2.gz SKGQIKNSCCQQPQ-WZRBSPASSA-N 1 2 245.326 1.914 20 0 BDADLO C[C@@H](CNC(=O)CC1CCC1)Cn1cc[nH+]c1 ZINC000081798416 345492846 /nfs/dbraw/zinc/49/28/46/345492846.db2.gz FZTOIPCIJGPRMK-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO Fc1c[nH+]ccc1NCCO[C@H]1CC1(F)F ZINC000641659550 362584660 /nfs/dbraw/zinc/58/46/60/362584660.db2.gz QKAGIPBGYOCKHT-VIFPVBQESA-N 1 2 232.205 1.479 20 0 BDADLO COc1ccnc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000641662311 362586950 /nfs/dbraw/zinc/58/69/50/362586950.db2.gz AGOKCNJQTVQDKR-UHFFFAOYSA-N 1 2 233.275 1.556 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]cc2F)C[C@H]1CO ZINC000641674512 362592409 /nfs/dbraw/zinc/59/24/09/362592409.db2.gz ZLRYIOUOZLNHKG-ZJUUUORDSA-N 1 2 224.279 1.675 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)[C@@H](C)CO)[nH+]1 ZINC000081003970 345458833 /nfs/dbraw/zinc/45/88/33/345458833.db2.gz DOTASLXTDNBIEV-YUMQZZPRSA-N 1 2 234.303 1.695 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000081255596 345466183 /nfs/dbraw/zinc/46/61/83/345466183.db2.gz ZBMZTCGWHPCLOD-LLVKDONJSA-N 1 2 221.304 1.532 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000081436140 345474349 /nfs/dbraw/zinc/47/43/49/345474349.db2.gz VTAYSBLFOQAVCX-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1C[C@@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000081436142 345474418 /nfs/dbraw/zinc/47/44/18/345474418.db2.gz VTAYSBLFOQAVCX-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCOCC2CC2)n1 ZINC000088599534 345542787 /nfs/dbraw/zinc/54/27/87/345542787.db2.gz MQASHOOQKLAGEA-SECBINFHSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCOCC2CC2)n1 ZINC000088599534 345542789 /nfs/dbraw/zinc/54/27/89/345542789.db2.gz MQASHOOQKLAGEA-SECBINFHSA-N 1 2 239.319 1.797 20 0 BDADLO CC(C)C[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091552365 345597142 /nfs/dbraw/zinc/59/71/42/345597142.db2.gz DIXRDCNFQSYZEV-VIFPVBQESA-N 1 2 224.308 1.109 20 0 BDADLO CC(C)C[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091552365 345597143 /nfs/dbraw/zinc/59/71/43/345597143.db2.gz DIXRDCNFQSYZEV-VIFPVBQESA-N 1 2 224.308 1.109 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]cc2F)CC[S@@]1=O ZINC000603358106 349932429 /nfs/dbraw/zinc/93/24/29/349932429.db2.gz JDTBCLGHTPPRIO-FVMDXXJSSA-N 1 2 242.319 1.568 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[C@@H](O)C1 ZINC000635550299 345604702 /nfs/dbraw/zinc/60/47/02/345604702.db2.gz DXDVWPPJMWGCJE-WAAGHKOSSA-N 1 2 231.255 1.044 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1ccccn1 ZINC000091984467 345613871 /nfs/dbraw/zinc/61/38/71/345613871.db2.gz AJVVPAURNCRQQO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO CSC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000603364275 349933509 /nfs/dbraw/zinc/93/35/09/349933509.db2.gz ALHJZWWVMKTBQD-UHFFFAOYSA-N 1 2 224.329 1.881 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1ncnn1C ZINC000093810835 345664634 /nfs/dbraw/zinc/66/46/34/345664634.db2.gz DMRIACPXVLQTLS-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(F)ccc1C[N@H+](C)Cc1ncnn1C ZINC000093810835 345664635 /nfs/dbraw/zinc/66/46/35/345664635.db2.gz DMRIACPXVLQTLS-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCC3)o1 ZINC000268769668 178894979 /nfs/dbraw/zinc/89/49/79/178894979.db2.gz PHTLWKRHOZEDKV-JTQLQIEISA-N 1 2 246.314 1.977 20 0 BDADLO CCC[C@H](CCO)Nc1cc[nH+]cc1F ZINC000641680758 362602274 /nfs/dbraw/zinc/60/22/74/362602274.db2.gz XZDFZOFJKNFIOL-SECBINFHSA-N 1 2 212.268 1.606 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCCn3nccc32)c1 ZINC000641684159 362602884 /nfs/dbraw/zinc/60/28/84/362602884.db2.gz CCAFOUBNVRAJHU-LLVKDONJSA-N 1 2 244.298 1.717 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000093401822 345669735 /nfs/dbraw/zinc/66/97/35/345669735.db2.gz ZGJYZTLMPMAJPB-SKDRFNHKSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000093401881 345670065 /nfs/dbraw/zinc/67/00/65/345670065.db2.gz PESKCKGWJCOWEF-SKDRFNHKSA-N 1 2 249.314 1.625 20 0 BDADLO C[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000113886810 345675499 /nfs/dbraw/zinc/67/54/99/345675499.db2.gz FKULUPZAKHEXDK-ORAHPGNNSA-N 1 2 219.288 1.681 20 0 BDADLO COCc1cc(C[NH2+]Cc2ccc(O)cc2)no1 ZINC000641714320 362630285 /nfs/dbraw/zinc/63/02/85/362630285.db2.gz XCMMIYUVYTZNBM-UHFFFAOYSA-N 1 2 248.282 1.816 20 0 BDADLO COC(=O)C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000082797624 345759932 /nfs/dbraw/zinc/75/99/32/345759932.db2.gz NUARHQZHXOYXGO-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO COC(=O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC000082797624 345759935 /nfs/dbraw/zinc/75/99/35/345759935.db2.gz NUARHQZHXOYXGO-UHFFFAOYSA-N 1 2 219.284 1.526 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]1C1CC1 ZINC000622636619 345700529 /nfs/dbraw/zinc/70/05/29/345700529.db2.gz FXFBYCVKCHHRSA-JTQLQIEISA-N 1 2 219.288 1.353 20 0 BDADLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)C(C)(C)C ZINC000205541947 345732703 /nfs/dbraw/zinc/73/27/03/345732703.db2.gz GGNJJMGXAIJRCI-NSHDSACASA-N 1 2 242.363 1.117 20 0 BDADLO CCOC(=O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000261319015 345796636 /nfs/dbraw/zinc/79/66/36/345796636.db2.gz GLIAULPWHBXTPG-UHFFFAOYSA-N 1 2 221.247 1.671 20 0 BDADLO CCOC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000261319015 345796638 /nfs/dbraw/zinc/79/66/38/345796638.db2.gz GLIAULPWHBXTPG-UHFFFAOYSA-N 1 2 221.247 1.671 20 0 BDADLO Cc1nc(NC2(CCO)CCCC2)cc[nH+]1 ZINC000381428207 345855890 /nfs/dbraw/zinc/85/58/90/345855890.db2.gz ZPNJXHODLVBPIS-UHFFFAOYSA-N 1 2 221.304 1.892 20 0 BDADLO CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000142120450 345856042 /nfs/dbraw/zinc/85/60/42/345856042.db2.gz YUVSENUUWURMBD-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000626156639 345872324 /nfs/dbraw/zinc/87/23/24/345872324.db2.gz RBYVDMDSJMMMTN-LBPRGKRZSA-N 1 2 237.303 1.165 20 0 BDADLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccon1 ZINC000626156639 345872325 /nfs/dbraw/zinc/87/23/25/345872325.db2.gz RBYVDMDSJMMMTN-LBPRGKRZSA-N 1 2 237.303 1.165 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](CC)COC)[nH+]1 ZINC000635591817 345884795 /nfs/dbraw/zinc/88/47/95/345884795.db2.gz WTGDIERTFBSDTL-SNVBAGLBSA-N 1 2 239.319 1.056 20 0 BDADLO CC(C)C[C@H](C(=O)NCC(F)F)n1cc[nH+]c1 ZINC000635634495 345908474 /nfs/dbraw/zinc/90/84/74/345908474.db2.gz XQAAUVQJBYJIAS-SECBINFHSA-N 1 2 245.273 1.852 20 0 BDADLO COC(C)(C)CN(C)c1nc[nH+]c(N)c1Cl ZINC000381444293 345915715 /nfs/dbraw/zinc/91/57/15/345915715.db2.gz APSPKMJCWFKIMQ-UHFFFAOYSA-N 1 2 244.726 1.573 20 0 BDADLO COC(C)(C)CN(C)c1[nH+]cnc(N)c1Cl ZINC000381444293 345915716 /nfs/dbraw/zinc/91/57/16/345915716.db2.gz APSPKMJCWFKIMQ-UHFFFAOYSA-N 1 2 244.726 1.573 20 0 BDADLO CNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000087805950 345940637 /nfs/dbraw/zinc/94/06/37/345940637.db2.gz JUGBKJKVUFQUJT-DTORHVGOSA-N 1 2 222.292 1.132 20 0 BDADLO CNc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]cn1 ZINC000087805950 345940641 /nfs/dbraw/zinc/94/06/41/345940641.db2.gz JUGBKJKVUFQUJT-DTORHVGOSA-N 1 2 222.292 1.132 20 0 BDADLO C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(N)=O ZINC000098162026 537928161 /nfs/dbraw/zinc/92/81/61/537928161.db2.gz PHEIPKFBDJERPW-SSDOTTSWSA-N 1 2 241.360 1.404 20 0 BDADLO Fc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccn[nH]1)C2 ZINC000581380795 345989234 /nfs/dbraw/zinc/98/92/34/345989234.db2.gz FWRIXIQSZUTMEE-GFCCVEGCSA-N 1 2 247.273 1.642 20 0 BDADLO Cc1nc(N[C@H]2CCN(CC(F)F)C2)cc[nH+]1 ZINC000419026941 192095726 /nfs/dbraw/zinc/09/57/26/192095726.db2.gz VAACZAJJPZYJGJ-VIFPVBQESA-N 1 2 242.273 1.536 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635746086 346046794 /nfs/dbraw/zinc/04/67/94/346046794.db2.gz ZYBXRYWDOCSARB-RKDXNWHRSA-N 1 2 249.314 1.245 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635746086 346046797 /nfs/dbraw/zinc/04/67/97/346046797.db2.gz ZYBXRYWDOCSARB-RKDXNWHRSA-N 1 2 249.314 1.245 20 0 BDADLO Cc1cn2ccc(C(=O)N(C)CCCO)cc2[nH+]1 ZINC000635896160 346104795 /nfs/dbraw/zinc/10/47/95/346104795.db2.gz GXUKDSGSHWJSRJ-UHFFFAOYSA-N 1 2 247.298 1.097 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2C[C@H]2CC)[nH+]1 ZINC000635986616 346139616 /nfs/dbraw/zinc/13/96/16/346139616.db2.gz FYPUKZXNZPHEJX-ZJUUUORDSA-N 1 2 235.331 1.677 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635917740 346109017 /nfs/dbraw/zinc/10/90/17/346109017.db2.gz JKKHGGZENFPFIN-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635917740 346109019 /nfs/dbraw/zinc/10/90/19/346109019.db2.gz JKKHGGZENFPFIN-LMLFDSFASA-N 1 2 249.314 1.149 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H](C)C(F)(F)F)[nH+]1 ZINC000635932805 346113366 /nfs/dbraw/zinc/11/33/66/346113366.db2.gz MHEBHIRMNIEAFV-ZCFIWIBFSA-N 1 2 249.236 1.582 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)(F)F ZINC000635933536 346113591 /nfs/dbraw/zinc/11/35/91/346113591.db2.gz RPQYEKANWDHHEK-FSDSQADBSA-N 1 2 247.220 1.580 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)(F)F ZINC000635933536 346113592 /nfs/dbraw/zinc/11/35/92/346113592.db2.gz RPQYEKANWDHHEK-FSDSQADBSA-N 1 2 247.220 1.580 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635991978 346142618 /nfs/dbraw/zinc/14/26/18/346142618.db2.gz POZTUYIVURQPLL-DNRKLUKYSA-N 1 2 249.314 1.197 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635991978 346142621 /nfs/dbraw/zinc/14/26/21/346142621.db2.gz POZTUYIVURQPLL-DNRKLUKYSA-N 1 2 249.314 1.197 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@@H]2C)[nH+]1 ZINC000635927040 346116872 /nfs/dbraw/zinc/11/68/72/346116872.db2.gz WVKVMMJVTRZHJM-WCBMZHEXSA-N 1 2 221.304 1.429 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635947497 346119994 /nfs/dbraw/zinc/11/99/94/346119994.db2.gz YWCGDWRVBUJFIY-UTINFBMNSA-N 1 2 237.303 1.053 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635947497 346119996 /nfs/dbraw/zinc/11/99/96/346119996.db2.gz YWCGDWRVBUJFIY-UTINFBMNSA-N 1 2 237.303 1.053 20 0 BDADLO CO[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635965920 346124806 /nfs/dbraw/zinc/12/48/06/346124806.db2.gz GQPHCRBJVHXXAH-FOGDFJRCSA-N 1 2 249.314 1.054 20 0 BDADLO CO[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635965920 346124807 /nfs/dbraw/zinc/12/48/07/346124807.db2.gz GQPHCRBJVHXXAH-FOGDFJRCSA-N 1 2 249.314 1.054 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@H]2C)[nH+]1 ZINC000635965777 346125091 /nfs/dbraw/zinc/12/50/91/346125091.db2.gz LWSFIPIPOSZGJX-RKDXNWHRSA-N 1 2 221.304 1.381 20 0 BDADLO CC(F)(F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635973788 346129263 /nfs/dbraw/zinc/12/92/63/346129263.db2.gz POMLXELNXOJVMD-HTQZYQBOSA-N 1 2 243.257 1.675 20 0 BDADLO CC(F)(F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635973788 346129267 /nfs/dbraw/zinc/12/92/67/346129267.db2.gz POMLXELNXOJVMD-HTQZYQBOSA-N 1 2 243.257 1.675 20 0 BDADLO CC(C)C[C@@H](C(=O)N1CCOC1)n1cc[nH+]c1 ZINC000635984818 346138037 /nfs/dbraw/zinc/13/80/37/346138037.db2.gz ZTBMOZBJOJOLLH-NSHDSACASA-N 1 2 237.303 1.287 20 0 BDADLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000635996065 346145179 /nfs/dbraw/zinc/14/51/79/346145179.db2.gz VLOFLEQEWUGJCR-CBAPKCEASA-N 1 2 245.286 1.350 20 0 BDADLO CCc1c[nH]c(CC(=O)NC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000636009190 346151382 /nfs/dbraw/zinc/15/13/82/346151382.db2.gz UVIWDNPHDSKEGG-JQWIXIFHSA-N 1 2 247.342 1.677 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000245539793 537952266 /nfs/dbraw/zinc/95/22/66/537952266.db2.gz LLSYEIWMNXCSJP-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000245539793 537952276 /nfs/dbraw/zinc/95/22/76/537952276.db2.gz LLSYEIWMNXCSJP-UWVGGRQHSA-N 1 2 207.277 1.086 20 0 BDADLO O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636019872 346158434 /nfs/dbraw/zinc/15/84/34/346158434.db2.gz LHJVOUCHLKXKNS-IYKVGLELSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636019872 346158435 /nfs/dbraw/zinc/15/84/35/346158435.db2.gz LHJVOUCHLKXKNS-IYKVGLELSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636019873 346158584 /nfs/dbraw/zinc/15/85/84/346158584.db2.gz LHJVOUCHLKXKNS-ROHXPCBUSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636019873 346158585 /nfs/dbraw/zinc/15/85/85/346158585.db2.gz LHJVOUCHLKXKNS-ROHXPCBUSA-N 1 2 245.326 1.818 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636021939 346160002 /nfs/dbraw/zinc/16/00/02/346160002.db2.gz UGWXUOSZKSUHHS-BFLSOPEQSA-N 1 2 249.314 1.197 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636021939 346160005 /nfs/dbraw/zinc/16/00/05/346160005.db2.gz UGWXUOSZKSUHHS-BFLSOPEQSA-N 1 2 249.314 1.197 20 0 BDADLO c1nn2ccccc2c1CNc1c[nH]c[nH+]1 ZINC000381498966 346163225 /nfs/dbraw/zinc/16/32/25/346163225.db2.gz OMQIOYIWDLQWMA-UHFFFAOYSA-N 1 2 213.244 1.670 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)o1 ZINC000628241767 346201239 /nfs/dbraw/zinc/20/12/39/346201239.db2.gz GNLLDQPGZPICNO-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)o1 ZINC000628241767 346201240 /nfs/dbraw/zinc/20/12/40/346201240.db2.gz GNLLDQPGZPICNO-LDYMZIIASA-N 1 2 237.303 1.069 20 0 BDADLO CCC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000563284909 323108495 /nfs/dbraw/zinc/10/84/95/323108495.db2.gz DCBVJJDZTKHBOR-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2(CO)CC2)[nH]c1C ZINC000628244705 346209039 /nfs/dbraw/zinc/20/90/39/346209039.db2.gz SGMAJVLONJGBKM-UHFFFAOYSA-N 1 2 223.320 1.231 20 0 BDADLO Cc1nc(C[N@H+](C)CC2(CO)CC2)[nH]c1C ZINC000628244705 346209041 /nfs/dbraw/zinc/20/90/41/346209041.db2.gz SGMAJVLONJGBKM-UHFFFAOYSA-N 1 2 223.320 1.231 20 0 BDADLO Cc1[nH]c(CN(C)CC2(CO)CC2)[nH+]c1C ZINC000628244705 346209043 /nfs/dbraw/zinc/20/90/43/346209043.db2.gz SGMAJVLONJGBKM-UHFFFAOYSA-N 1 2 223.320 1.231 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)[nH+]1 ZINC000628244817 346209405 /nfs/dbraw/zinc/20/94/05/346209405.db2.gz WULLGPSRISYVCJ-DCAQKATOSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]c(CN2CCC(F)(F)C2)[nH+]1 ZINC000628231890 346184651 /nfs/dbraw/zinc/18/46/51/346184651.db2.gz FOPMCPFTRHYQOO-UHFFFAOYSA-N 1 2 201.220 1.559 20 0 BDADLO Cc1c[nH]c(CN2CC[C@@H](C)[C@H](F)C2)[nH+]1 ZINC000628234728 346187606 /nfs/dbraw/zinc/18/76/06/346187606.db2.gz LEWAEQKYDBEPKH-PSASIEDQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C(C)C)C2)[nH+]1 ZINC000628234987 346188428 /nfs/dbraw/zinc/18/84/28/346188428.db2.gz UVWUXSLKDSRURT-NSHDSACASA-N 1 2 223.320 1.575 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)o1 ZINC000628255246 346248523 /nfs/dbraw/zinc/24/85/23/346248523.db2.gz HHZKBXADRGFHCR-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)o1 ZINC000628255246 346248525 /nfs/dbraw/zinc/24/85/25/346248525.db2.gz HHZKBXADRGFHCR-NOZJJQNGSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000082259774 179019902 /nfs/dbraw/zinc/01/99/02/179019902.db2.gz RKLQPOALSLFKSZ-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000122153625 179034699 /nfs/dbraw/zinc/03/46/99/179034699.db2.gz XEDKZRGSVYYFOR-GFCCVEGCSA-N 1 2 204.317 1.836 20 0 BDADLO Cc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000122153625 179034702 /nfs/dbraw/zinc/03/47/02/179034702.db2.gz XEDKZRGSVYYFOR-GFCCVEGCSA-N 1 2 204.317 1.836 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636055786 346303186 /nfs/dbraw/zinc/30/31/86/346303186.db2.gz BBGLCYFAUAJGLJ-IRCOFANPSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636055786 346303188 /nfs/dbraw/zinc/30/31/88/346303188.db2.gz BBGLCYFAUAJGLJ-IRCOFANPSA-N 1 2 245.326 1.818 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291285079 349950222 /nfs/dbraw/zinc/95/02/22/349950222.db2.gz OUMHCRHRTGUAAS-NSHDSACASA-N 1 2 248.330 1.597 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H](F)C1 ZINC000636127078 346327764 /nfs/dbraw/zinc/32/77/64/346327764.db2.gz CYMWFXJEEVCOQW-OPRDCNLKSA-N 1 2 237.278 1.474 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H](F)C1 ZINC000636127078 346327766 /nfs/dbraw/zinc/32/77/66/346327766.db2.gz CYMWFXJEEVCOQW-OPRDCNLKSA-N 1 2 237.278 1.474 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@H](F)C2)[nH+]1 ZINC000636127280 346328262 /nfs/dbraw/zinc/32/82/62/346328262.db2.gz FFYOGXQDCTVDSJ-VIFPVBQESA-N 1 2 239.294 1.475 20 0 BDADLO O=C(NC1CC2(CCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636127591 346328479 /nfs/dbraw/zinc/32/84/79/346328479.db2.gz MVBMIIBAUANKDN-GHMZBOCLSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(NC1CC2(CCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636127591 346328480 /nfs/dbraw/zinc/32/84/80/346328480.db2.gz MVBMIIBAUANKDN-GHMZBOCLSA-N 1 2 245.326 1.962 20 0 BDADLO OCc1ccnc(NCc2c[nH+]c3n2CCC3)c1 ZINC000641762063 362684923 /nfs/dbraw/zinc/68/49/23/362684923.db2.gz CNIAABOQXSBABK-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636112338 346323593 /nfs/dbraw/zinc/32/35/93/346323593.db2.gz QKROVTCLJGPDKW-PREPNJAASA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636112338 346323597 /nfs/dbraw/zinc/32/35/97/346323597.db2.gz QKROVTCLJGPDKW-PREPNJAASA-N 1 2 245.326 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCCC23CC3)[nH+]1 ZINC000636302800 346384995 /nfs/dbraw/zinc/38/49/95/346384995.db2.gz KMUFMNAHORCSJL-LLVKDONJSA-N 1 2 247.342 1.964 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1CCOCC1CCC1 ZINC000419201414 192102423 /nfs/dbraw/zinc/10/24/23/192102423.db2.gz FLPCGGXNHILVSP-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1CCOCC1CCC1 ZINC000419201414 192102425 /nfs/dbraw/zinc/10/24/25/192102425.db2.gz FLPCGGXNHILVSP-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CCCC[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000282435218 346403941 /nfs/dbraw/zinc/40/39/41/346403941.db2.gz DKPZVUVXHREJKT-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679219468 488317342 /nfs/dbraw/zinc/31/73/42/488317342.db2.gz CTMYEXAXKQUKAF-GHMZBOCLSA-N 1 2 230.327 1.583 20 0 BDADLO CCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679219468 488317343 /nfs/dbraw/zinc/31/73/43/488317343.db2.gz CTMYEXAXKQUKAF-GHMZBOCLSA-N 1 2 230.327 1.583 20 0 BDADLO C[C@H]1CCN(Cc2[nH+]ccn2C)C[C@H]1F ZINC000679217900 488318222 /nfs/dbraw/zinc/31/82/22/488318222.db2.gz KWIIEECEPUUJSZ-VHSXEESVSA-N 1 2 211.284 1.600 20 0 BDADLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)n1 ZINC000336533619 179080708 /nfs/dbraw/zinc/08/07/08/179080708.db2.gz CKLIUKFULKYMSB-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)n1 ZINC000336533619 179080709 /nfs/dbraw/zinc/08/07/09/179080709.db2.gz CKLIUKFULKYMSB-CYBMUJFWSA-N 1 2 247.342 1.346 20 0 BDADLO CC[C@H](C[NH2+]C1(C(=O)OC)CCCCC1)OC ZINC000419204045 192103059 /nfs/dbraw/zinc/10/30/59/192103059.db2.gz ILGVABBCTDPAIT-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)C(F)F ZINC000641791746 362732103 /nfs/dbraw/zinc/73/21/03/362732103.db2.gz MSJLKSIZLRXLRE-JGVFFNPUSA-N 1 2 205.248 1.941 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C2CC2)nn1C ZINC000577103747 365817844 /nfs/dbraw/zinc/81/78/44/365817844.db2.gz YQKDUHZSLNTRPH-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C2CC2)nn1C ZINC000577103747 365817850 /nfs/dbraw/zinc/81/78/50/365817850.db2.gz YQKDUHZSLNTRPH-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CC(C)(C(=O)Nc1ccc(N)[nH+]c1)n1cccn1 ZINC000580097040 346523184 /nfs/dbraw/zinc/52/31/84/346523184.db2.gz YFDOULUDDJAGRV-UHFFFAOYSA-N 1 2 245.286 1.064 20 0 BDADLO Cc1ccc(C=CC(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000380192707 346535208 /nfs/dbraw/zinc/53/52/08/346535208.db2.gz ATSVPUUVUAGGRI-AATRIKPKSA-N 1 2 245.282 1.949 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000078651672 535050625 /nfs/dbraw/zinc/05/06/25/535050625.db2.gz QRSWUTAAKAMUEH-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000078651672 535050633 /nfs/dbraw/zinc/05/06/33/535050633.db2.gz QRSWUTAAKAMUEH-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000580144467 346554211 /nfs/dbraw/zinc/55/42/11/346554211.db2.gz RJAMFOPIAMTCHZ-LLVKDONJSA-N 1 2 248.330 1.491 20 0 BDADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000336259764 179127522 /nfs/dbraw/zinc/12/75/22/179127522.db2.gz SDHBGLPYDDJGBK-NSHDSACASA-N 1 2 236.290 1.977 20 0 BDADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](F)C2)c1 ZINC000336259764 179127523 /nfs/dbraw/zinc/12/75/23/179127523.db2.gz SDHBGLPYDDJGBK-NSHDSACASA-N 1 2 236.290 1.977 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000589604218 346717528 /nfs/dbraw/zinc/71/75/28/346717528.db2.gz MGJUQNSCHGHEJP-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCCO[C@H](C)C2)n1 ZINC000589604218 346717531 /nfs/dbraw/zinc/71/75/31/346717531.db2.gz MGJUQNSCHGHEJP-RKDXNWHRSA-N 1 2 225.292 1.550 20 0 BDADLO CCC[C@@H](C)[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000563628252 323132456 /nfs/dbraw/zinc/13/24/56/323132456.db2.gz BTWWLSNBIUKJIR-MWLCHTKSSA-N 1 2 223.320 1.994 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2cc(C)no2)CCO1 ZINC000626172722 346726224 /nfs/dbraw/zinc/72/62/24/346726224.db2.gz FBUGMRRRWWIVCN-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2cc(C)no2)CCO1 ZINC000626172722 346726225 /nfs/dbraw/zinc/72/62/25/346726225.db2.gz FBUGMRRRWWIVCN-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000168629376 346738795 /nfs/dbraw/zinc/73/87/95/346738795.db2.gz TWLYLGUNZBSJJZ-SECBINFHSA-N 1 2 217.272 1.788 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000387908699 347126018 /nfs/dbraw/zinc/12/60/18/347126018.db2.gz GSSQJTLUYOSGIA-NXEZZACHSA-N 1 2 221.304 1.708 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@H](C)CCSC ZINC000193429664 259394219 /nfs/dbraw/zinc/39/42/19/259394219.db2.gz CXGOUPMYHREJIR-SNVBAGLBSA-N 1 2 242.392 1.871 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@H](C)CCSC ZINC000193429664 259394220 /nfs/dbraw/zinc/39/42/20/259394220.db2.gz CXGOUPMYHREJIR-SNVBAGLBSA-N 1 2 242.392 1.871 20 0 BDADLO COc1cccc2c(NC[C@H](O)CO)cc[nH+]c12 ZINC000039151636 347181245 /nfs/dbraw/zinc/18/12/45/347181245.db2.gz QRJOHIWUVSCNNW-VIFPVBQESA-N 1 2 248.282 1.009 20 0 BDADLO Cc1cccc([C@H](C)[NH2+]Cc2ncn(C)n2)c1 ZINC000152685576 179195892 /nfs/dbraw/zinc/19/58/92/179195892.db2.gz RGEPXDRAYJWNJI-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO CCC[C@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000641960991 362812750 /nfs/dbraw/zinc/81/27/50/362812750.db2.gz FJCGGEMUNKFEEK-JTQLQIEISA-N 1 2 236.319 1.597 20 0 BDADLO CC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000206195697 347335720 /nfs/dbraw/zinc/33/57/20/347335720.db2.gz IAGVIHFKRFEXCG-UHFFFAOYSA-N 1 2 224.226 1.103 20 0 BDADLO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000679355654 488343703 /nfs/dbraw/zinc/34/37/03/488343703.db2.gz OBIDVFKDZDYCST-ZJUUUORDSA-N 1 2 241.335 1.420 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@H]2CCCCS2)CC1 ZINC000082304295 347345947 /nfs/dbraw/zinc/34/59/47/347345947.db2.gz WPLCOJXIMQKWHA-LLVKDONJSA-N 1 2 242.388 1.436 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364284674 347359819 /nfs/dbraw/zinc/35/98/19/347359819.db2.gz TXIWLLNUHJYXRJ-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO CCN1CC[N@H+](Cc2cccn2C)C(C)(C)C1=O ZINC000190028388 347319007 /nfs/dbraw/zinc/31/90/07/347319007.db2.gz VSRRIQUQHLEBJE-UHFFFAOYSA-N 1 2 249.358 1.468 20 0 BDADLO CCN1CC[N@@H+](Cc2cccn2C)C(C)(C)C1=O ZINC000190028388 347319010 /nfs/dbraw/zinc/31/90/10/347319010.db2.gz VSRRIQUQHLEBJE-UHFFFAOYSA-N 1 2 249.358 1.468 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccccc2)c[nH+]1 ZINC000082268963 347322159 /nfs/dbraw/zinc/32/21/59/347322159.db2.gz GKVDPEOHRXYLGM-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO CN(C)c1ccc(CNC(=O)N2CC=CC2)c[nH+]1 ZINC000636552975 347405615 /nfs/dbraw/zinc/40/56/15/347405615.db2.gz JSKKMRFTOZQXHR-UHFFFAOYSA-N 1 2 246.314 1.229 20 0 BDADLO CC(C)(F)CCNC(=O)Cn1cc[nH+]c1 ZINC000618409219 347409100 /nfs/dbraw/zinc/40/91/00/347409100.db2.gz PLOQZCNWQAAXLY-UHFFFAOYSA-N 1 2 213.256 1.138 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC=C(C)C ZINC000571416273 323144354 /nfs/dbraw/zinc/14/43/54/323144354.db2.gz DDZZJPMZEQQAFU-UHFFFAOYSA-N 1 2 222.292 1.258 20 0 BDADLO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccn[nH]1)C2 ZINC000289729836 179220867 /nfs/dbraw/zinc/22/08/67/179220867.db2.gz VFJWIQKKCQJLLO-CYBMUJFWSA-N 1 2 243.310 1.811 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000616920980 347450222 /nfs/dbraw/zinc/45/02/22/347450222.db2.gz ANUCSNBYPUYLPT-MVWJERBFSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000616920980 347450223 /nfs/dbraw/zinc/45/02/23/347450223.db2.gz ANUCSNBYPUYLPT-MVWJERBFSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCC(=O)C1CC1 ZINC000616922007 347452358 /nfs/dbraw/zinc/45/23/58/347452358.db2.gz LWXHWFJRXBNBHV-UHFFFAOYSA-N 1 2 249.314 1.518 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCC(=O)C1CC1 ZINC000616922007 347452361 /nfs/dbraw/zinc/45/23/61/347452361.db2.gz LWXHWFJRXBNBHV-UHFFFAOYSA-N 1 2 249.314 1.518 20 0 BDADLO Cc1noc(C)c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922817 347453302 /nfs/dbraw/zinc/45/33/02/347453302.db2.gz LBWSPFOHACJNCY-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO Cc1noc(C)c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922817 347453303 /nfs/dbraw/zinc/45/33/03/347453303.db2.gz LBWSPFOHACJNCY-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616923033 347453461 /nfs/dbraw/zinc/45/34/61/347453461.db2.gz RUXWFZGXWFDVCK-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO COc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616923033 347453463 /nfs/dbraw/zinc/45/34/63/347453463.db2.gz RUXWFZGXWFDVCK-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCc1cccnc1 ZINC000616923158 347453474 /nfs/dbraw/zinc/45/34/74/347453474.db2.gz WVLOVWYDBDYEFR-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCc1cccnc1 ZINC000616923158 347453476 /nfs/dbraw/zinc/45/34/76/347453476.db2.gz WVLOVWYDBDYEFR-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO COc1ncccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923275 347453956 /nfs/dbraw/zinc/45/39/56/347453956.db2.gz AKDBVFGIRIYDGA-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO COc1ncccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923275 347453960 /nfs/dbraw/zinc/45/39/60/347453960.db2.gz AKDBVFGIRIYDGA-UHFFFAOYSA-N 1 2 246.270 1.086 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCc1ccccn1 ZINC000616924353 347454681 /nfs/dbraw/zinc/45/46/81/347454681.db2.gz FVQPJWBGNVJPKW-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCc1ccccn1 ZINC000616924353 347454687 /nfs/dbraw/zinc/45/46/87/347454687.db2.gz FVQPJWBGNVJPKW-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590732688 347493271 /nfs/dbraw/zinc/49/32/71/347493271.db2.gz ODABDOSJPGXCCK-IJLUTSLNSA-N 1 2 233.315 1.703 20 0 BDADLO CCOC1CC(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616929118 347496520 /nfs/dbraw/zinc/49/65/20/347496520.db2.gz UNPVMIROBLBGPF-UHFFFAOYSA-N 1 2 237.303 1.183 20 0 BDADLO CCOC1CC(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616929118 347496524 /nfs/dbraw/zinc/49/65/24/347496524.db2.gz UNPVMIROBLBGPF-UHFFFAOYSA-N 1 2 237.303 1.183 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1cccnc1 ZINC000616926003 347457890 /nfs/dbraw/zinc/45/78/90/347457890.db2.gz YSRVNOFAHWVSJT-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1cccnc1 ZINC000616926003 347457891 /nfs/dbraw/zinc/45/78/91/347457891.db2.gz YSRVNOFAHWVSJT-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC[C@@H]1CCOC1 ZINC000616926738 347459661 /nfs/dbraw/zinc/45/96/61/347459661.db2.gz NYRNYRHXGYZHAZ-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC[C@@H]1CCOC1 ZINC000616926738 347459664 /nfs/dbraw/zinc/45/96/64/347459664.db2.gz NYRNYRHXGYZHAZ-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COc1ccc(C[NH2+]Cc2nccs2)cn1 ZINC000082394104 347462238 /nfs/dbraw/zinc/46/22/38/347462238.db2.gz MOYKSCNOGPVOKS-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO CS[C@H](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590552022 347470862 /nfs/dbraw/zinc/47/08/62/347470862.db2.gz CZAIAOSSHPCMJA-MRVPVSSYSA-N 1 2 239.344 1.436 20 0 BDADLO CS[C@H](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590552022 347470865 /nfs/dbraw/zinc/47/08/65/347470865.db2.gz CZAIAOSSHPCMJA-MRVPVSSYSA-N 1 2 239.344 1.436 20 0 BDADLO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)OC(C)(C)C ZINC000577223358 365889839 /nfs/dbraw/zinc/88/98/39/365889839.db2.gz ANYXLEBVHCFCDD-MNOVXSKESA-N 1 2 245.363 1.715 20 0 BDADLO O=C(NCC1CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590849964 347573579 /nfs/dbraw/zinc/57/35/79/347573579.db2.gz LMVXHVNKKYAJKV-LBPRGKRZSA-N 1 2 248.330 1.640 20 0 BDADLO CCc1noc(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000590944125 347591255 /nfs/dbraw/zinc/59/12/55/347591255.db2.gz JSMIGTZCANZJFK-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1noc(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000590944125 347591259 /nfs/dbraw/zinc/59/12/59/347591259.db2.gz JSMIGTZCANZJFK-MRVPVSSYSA-N 1 2 227.333 1.569 20 0 BDADLO CC[C@H](C)N(CC)C(=O)Cn1cc[nH+]c1 ZINC000616976133 347549188 /nfs/dbraw/zinc/54/91/88/347549188.db2.gz MIFYTDBXLAOHAZ-JTQLQIEISA-N 1 2 209.293 1.530 20 0 BDADLO Cc1n[nH]cc1CNC(=O)CCCn1cc[nH+]c1 ZINC000591160202 347627336 /nfs/dbraw/zinc/62/73/36/347627336.db2.gz LJGXZJYKIMTUTE-UHFFFAOYSA-N 1 2 247.302 1.011 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2COC(C)(C)C2)C1 ZINC000617046263 347629471 /nfs/dbraw/zinc/62/94/71/347629471.db2.gz HDXUTFAGEWLWOL-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCCC2(F)F)c[nH+]1 ZINC000334524354 133684988 /nfs/dbraw/zinc/68/49/88/133684988.db2.gz AGJZSHGNVPBWEM-MRVPVSSYSA-N 1 2 243.257 1.883 20 0 BDADLO Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000074726831 179278073 /nfs/dbraw/zinc/27/80/73/179278073.db2.gz VQNXCHONSGDBAN-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO Cc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000074726831 179278076 /nfs/dbraw/zinc/27/80/76/179278076.db2.gz VQNXCHONSGDBAN-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO CCn1cc[nH+]c1C=CC(=O)Nc1nc(C)c[nH]1 ZINC000493364367 347762792 /nfs/dbraw/zinc/76/27/92/347762792.db2.gz DGXOUGPIJUZVRT-PLNGDYQASA-N 1 2 245.286 1.586 20 0 BDADLO C[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592365532 347774772 /nfs/dbraw/zinc/77/47/72/347774772.db2.gz YCGGMFUPLJVHLL-IVZWLZJFSA-N 1 2 229.320 1.484 20 0 BDADLO CC[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000592365512 347774935 /nfs/dbraw/zinc/77/49/35/347774935.db2.gz WCBQUWBMNHCPEP-HBNTYKKESA-N 1 2 243.347 1.874 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](CC)OC ZINC000419187062 192108615 /nfs/dbraw/zinc/10/86/15/192108615.db2.gz IVBQSNACPXHLGP-SECBINFHSA-N 1 2 217.309 1.343 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592188958 347761303 /nfs/dbraw/zinc/76/13/03/347761303.db2.gz RVTXFLAVMCMEIN-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592188958 347761308 /nfs/dbraw/zinc/76/13/08/347761308.db2.gz RVTXFLAVMCMEIN-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCOC1 ZINC000592525436 347795051 /nfs/dbraw/zinc/79/50/51/347795051.db2.gz LVMGXRTZDYIRSN-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N(CC(F)F)C1CC1 ZINC000493531494 347870238 /nfs/dbraw/zinc/87/02/38/347870238.db2.gz UEWGZRLJVPUOOS-ONEGZZNKSA-N 1 2 241.241 1.679 20 0 BDADLO COCC[NH2+]Cc1nc(C2CCCC2)no1 ZINC000082583302 347870319 /nfs/dbraw/zinc/87/03/19/347870319.db2.gz SNDUMXWFEIZFPJ-UHFFFAOYSA-N 1 2 225.292 1.463 20 0 BDADLO c1cn(CCSCc2cc3n(n2)CCC3)c[nH+]1 ZINC000593193962 347871631 /nfs/dbraw/zinc/87/16/31/347871631.db2.gz GHMODNUAGJXCGS-UHFFFAOYSA-N 1 2 248.355 1.959 20 0 BDADLO CSCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000593110329 347861085 /nfs/dbraw/zinc/86/10/85/347861085.db2.gz OZGVEGANGDKLDT-NSHDSACASA-N 1 2 241.360 1.156 20 0 BDADLO CSCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000593110329 347861086 /nfs/dbraw/zinc/86/10/86/347861086.db2.gz OZGVEGANGDKLDT-NSHDSACASA-N 1 2 241.360 1.156 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000577387260 365941569 /nfs/dbraw/zinc/94/15/69/365941569.db2.gz DMIXCIKXICZPAB-ZJUUUORDSA-N 1 2 242.388 1.196 20 0 BDADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1ncn(C)n1 ZINC000152678008 179320904 /nfs/dbraw/zinc/32/09/04/179320904.db2.gz FFEDEEIBVIUZMV-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593692715 347928477 /nfs/dbraw/zinc/92/84/77/347928477.db2.gz DOWHVVMFOJOJTM-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC000593692715 347928479 /nfs/dbraw/zinc/92/84/79/347928479.db2.gz DOWHVVMFOJOJTM-MQIPJXDCSA-N 1 2 236.340 1.095 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cc2cnccc2o1 ZINC000593568999 347912462 /nfs/dbraw/zinc/91/24/62/347912462.db2.gz WDMMHAYVUSEENU-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cc2cnccc2o1 ZINC000593568999 347912463 /nfs/dbraw/zinc/91/24/63/347912463.db2.gz WDMMHAYVUSEENU-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ccco1 ZINC000577446443 365953035 /nfs/dbraw/zinc/95/30/35/365953035.db2.gz MXCKPCZJOXWTJF-UHFFFAOYSA-N 1 2 203.245 1.720 20 0 BDADLO Cc1ccccc1[C@H](C)N1CC[NH+](CCO)CC1 ZINC000119754636 179336184 /nfs/dbraw/zinc/33/61/84/179336184.db2.gz HLWZUHJKIQBKAU-AWEZNQCLSA-N 1 2 248.370 1.666 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)SC ZINC000594367029 348043144 /nfs/dbraw/zinc/04/31/44/348043144.db2.gz MESRQMUCYSTTTG-MRVPVSSYSA-N 1 2 227.333 1.271 20 0 BDADLO COC(=O)c1cn(Cc2ccc(C)[nH+]c2)c(C)n1 ZINC000594459366 348059850 /nfs/dbraw/zinc/05/98/50/348059850.db2.gz MYZIQRXKROJQCS-UHFFFAOYSA-N 1 2 245.282 1.730 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC2(C)C)c1 ZINC000616208295 348143072 /nfs/dbraw/zinc/14/30/72/348143072.db2.gz XEPHCVJPMILNDI-NSHDSACASA-N 1 2 235.331 1.515 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCCC2CCC2)CCOC1 ZINC000595409687 348241899 /nfs/dbraw/zinc/24/18/99/348241899.db2.gz ZDJUFQMCPXAMBD-CYBMUJFWSA-N 1 2 241.331 1.488 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000364338989 179376565 /nfs/dbraw/zinc/37/65/65/179376565.db2.gz BZZHEDLLMLZVAY-YPMHNXCESA-N 1 2 246.310 1.527 20 0 BDADLO Cc1cccnc1C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000364338989 179376569 /nfs/dbraw/zinc/37/65/69/179376569.db2.gz BZZHEDLLMLZVAY-YPMHNXCESA-N 1 2 246.310 1.527 20 0 BDADLO Cc1c[nH+]c(CNCc2ncccc2C)n1C ZINC000341005950 179381993 /nfs/dbraw/zinc/38/19/93/179381993.db2.gz GGYIBRCFHADFEE-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ncccc2C)n1C ZINC000341005950 179381998 /nfs/dbraw/zinc/38/19/98/179381998.db2.gz GGYIBRCFHADFEE-UHFFFAOYSA-N 1 2 230.315 1.722 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CC12CCC(CC1)C2 ZINC000595532893 348274885 /nfs/dbraw/zinc/27/48/85/348274885.db2.gz VWISVYNFYMWDEZ-YXMLORGKSA-N 1 2 241.331 1.080 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCC1=CCCCC1 ZINC000595533224 348275535 /nfs/dbraw/zinc/27/55/35/348275535.db2.gz JOAXHZKKADLWSW-CYBMUJFWSA-N 1 2 241.331 1.391 20 0 BDADLO CC[C@@H](O)C[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595704248 348308242 /nfs/dbraw/zinc/30/82/42/348308242.db2.gz JZLWJJCHQUVJRR-NQBHXWOUSA-N 1 2 243.347 1.469 20 0 BDADLO CCCCOCC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000595677231 348310542 /nfs/dbraw/zinc/31/05/42/348310542.db2.gz IBIKNVFRFNGSMD-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CCCCOCC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595677231 348310544 /nfs/dbraw/zinc/31/05/44/348310544.db2.gz IBIKNVFRFNGSMD-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)[C@H](C1CC1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595712420 348324593 /nfs/dbraw/zinc/32/45/93/348324593.db2.gz GWGVLMJCWPSBIU-KKZNHRDASA-N 1 2 239.315 1.095 20 0 BDADLO Cc1ccn(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000336301391 179401337 /nfs/dbraw/zinc/40/13/37/179401337.db2.gz FLVYNZIFSHECGC-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO CC(C)C[NH2+][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595730340 348328833 /nfs/dbraw/zinc/32/88/33/348328833.db2.gz HIVGVXAQUZAJJD-ZDUSSCGKSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000082680292 348328859 /nfs/dbraw/zinc/32/88/59/348328859.db2.gz UGSHKYRQEVTFFJ-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000082680292 348328860 /nfs/dbraw/zinc/32/88/60/348328860.db2.gz UGSHKYRQEVTFFJ-YUMQZZPRSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000082680291 348329717 /nfs/dbraw/zinc/32/97/17/348329717.db2.gz UGSHKYRQEVTFFJ-SFYZADRCSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC(C)(C)O1 ZINC000082680291 348329719 /nfs/dbraw/zinc/32/97/19/348329719.db2.gz UGSHKYRQEVTFFJ-SFYZADRCSA-N 1 2 241.253 1.409 20 0 BDADLO COCCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595771111 348336789 /nfs/dbraw/zinc/33/67/89/348336789.db2.gz WGTZKWNASQKIHX-LLVKDONJSA-N 1 2 235.299 1.294 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000595771776 348336828 /nfs/dbraw/zinc/33/68/28/348336828.db2.gz FKXIHIOBFMEPKE-MWLCHTKSSA-N 1 2 235.299 1.028 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595776281 348338545 /nfs/dbraw/zinc/33/85/45/348338545.db2.gz AJHWGNGCOCGRIW-VHSXEESVSA-N 1 2 241.331 1.221 20 0 BDADLO CCN(C[C@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493565305 259401977 /nfs/dbraw/zinc/40/19/77/259401977.db2.gz KDZVJHQQAWXDRP-MVIFTORASA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C(=O)OC ZINC000596045583 348428828 /nfs/dbraw/zinc/42/88/28/348428828.db2.gz KHRKMWCIQGTOST-HTQZYQBOSA-N 1 2 235.274 1.819 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)C(=O)OC ZINC000596049793 348432469 /nfs/dbraw/zinc/43/24/69/348432469.db2.gz HGHMIOOAZUYCFZ-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCC[C@H](C)F)c1 ZINC000596243119 348485207 /nfs/dbraw/zinc/48/52/07/348485207.db2.gz GYMFUOVXXWRLPS-VIFPVBQESA-N 1 2 240.278 1.379 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCC[C@@H](C)F)c1 ZINC000596243118 348485410 /nfs/dbraw/zinc/48/54/10/348485410.db2.gz GYMFUOVXXWRLPS-SECBINFHSA-N 1 2 240.278 1.379 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCCC2CC2)c1 ZINC000596129744 348446701 /nfs/dbraw/zinc/44/67/01/348446701.db2.gz KRODEBLWEDGQMV-UHFFFAOYSA-N 1 2 248.326 1.821 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@H]2C)c1 ZINC000596145347 348451028 /nfs/dbraw/zinc/45/10/28/348451028.db2.gz RNGGPSRJXKZBOF-SNVBAGLBSA-N 1 2 234.299 1.786 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000359977750 179482449 /nfs/dbraw/zinc/48/24/49/179482449.db2.gz LNCUBLPMPKMANZ-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccncc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000359977750 179482452 /nfs/dbraw/zinc/48/24/52/179482452.db2.gz LNCUBLPMPKMANZ-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)C1 ZINC000396577993 348511466 /nfs/dbraw/zinc/51/14/66/348511466.db2.gz GMOORQIZWDCAQF-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)C1 ZINC000396577993 348511471 /nfs/dbraw/zinc/51/14/71/348511471.db2.gz GMOORQIZWDCAQF-JTQLQIEISA-N 1 2 243.347 1.827 20 0 BDADLO Cc1ccoc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153640254 179507345 /nfs/dbraw/zinc/50/73/45/179507345.db2.gz LHTVZIKLBKSRKA-SNVBAGLBSA-N 1 2 247.298 1.851 20 0 BDADLO C[C@H](CC(=O)N1CC2CC1(C)C2)n1cc[nH+]c1 ZINC000621218531 348562671 /nfs/dbraw/zinc/56/26/71/348562671.db2.gz GBPNNGNOTCDRPU-XSRFYTQQSA-N 1 2 233.315 1.845 20 0 BDADLO COCC[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000082784070 348719876 /nfs/dbraw/zinc/71/98/76/348719876.db2.gz IXQAMXROSYALCI-NXEZZACHSA-N 1 2 231.336 1.731 20 0 BDADLO Cc1nocc1CNc1cc[nH+]c(C)n1 ZINC000397894561 362932823 /nfs/dbraw/zinc/93/28/23/362932823.db2.gz UCQHSPHSWXQEIU-UHFFFAOYSA-N 1 2 204.233 1.115 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1cccc(C)n1 ZINC000605901670 348896422 /nfs/dbraw/zinc/89/64/22/348896422.db2.gz ORTYYXPPIKOCRZ-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1cccc(C)n1 ZINC000605901670 348896425 /nfs/dbraw/zinc/89/64/25/348896425.db2.gz ORTYYXPPIKOCRZ-UHFFFAOYSA-N 1 2 235.331 1.300 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465300 348977956 /nfs/dbraw/zinc/97/79/56/348977956.db2.gz PKZAZPLWEBJODH-DTWKUNHWSA-N 1 2 241.360 1.739 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464972 348978356 /nfs/dbraw/zinc/97/83/56/348978356.db2.gz MNEGKTOXQXEJMQ-RKDXNWHRSA-N 1 2 241.360 1.739 20 0 BDADLO CS[C@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465302 348978485 /nfs/dbraw/zinc/97/84/85/348978485.db2.gz PKZAZPLWEBJODH-RKDXNWHRSA-N 1 2 241.360 1.739 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000042978423 348989372 /nfs/dbraw/zinc/98/93/72/348989372.db2.gz VOPVOBDSMQIGIP-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000042978423 348989376 /nfs/dbraw/zinc/98/93/76/348989376.db2.gz VOPVOBDSMQIGIP-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC12CC2 ZINC000421751818 192379022 /nfs/dbraw/zinc/37/90/22/192379022.db2.gz OBRFKSWHHIVTRW-LLVKDONJSA-N 1 2 245.326 1.564 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](CCO)CSC ZINC000599047947 349089658 /nfs/dbraw/zinc/08/96/58/349089658.db2.gz GYCGYQVQPPMSQH-VIFPVBQESA-N 1 2 242.344 1.616 20 0 BDADLO CCCSCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944592 349062851 /nfs/dbraw/zinc/06/28/51/349062851.db2.gz QLZVFLVBTJPLIA-SECBINFHSA-N 1 2 239.344 1.067 20 0 BDADLO CCO[C@H](C[N@H+](CC(=O)OC)C1CC1)C1CC1 ZINC000599306512 349143585 /nfs/dbraw/zinc/14/35/85/349143585.db2.gz KCPNYZAOLNUMJD-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO CCO[C@H](C[N@@H+](CC(=O)OC)C1CC1)C1CC1 ZINC000599306512 349143587 /nfs/dbraw/zinc/14/35/87/349143587.db2.gz KCPNYZAOLNUMJD-GFCCVEGCSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)CCCC[N@@H+]1Cc2cccnc2C1 ZINC000599397042 349171751 /nfs/dbraw/zinc/17/17/51/349171751.db2.gz NYHOSWKHONEXMR-UHFFFAOYSA-N 1 2 234.299 1.741 20 0 BDADLO COC(=O)CCCC[N@H+]1Cc2cccnc2C1 ZINC000599397042 349171753 /nfs/dbraw/zinc/17/17/53/349171753.db2.gz NYHOSWKHONEXMR-UHFFFAOYSA-N 1 2 234.299 1.741 20 0 BDADLO COC(=O)CCC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000599645518 349239454 /nfs/dbraw/zinc/23/94/54/349239454.db2.gz PCFGLJWRIWXEGF-UHFFFAOYSA-N 1 2 249.310 1.964 20 0 BDADLO COC(=O)CCC[N@H+]1Cc2cccc(OC)c2C1 ZINC000599645518 349239457 /nfs/dbraw/zinc/23/94/57/349239457.db2.gz PCFGLJWRIWXEGF-UHFFFAOYSA-N 1 2 249.310 1.964 20 0 BDADLO COCc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351408826 538034978 /nfs/dbraw/zinc/03/49/78/538034978.db2.gz RBGWDQVBWPDSOU-MRVPVSSYSA-N 1 2 222.248 1.216 20 0 BDADLO COC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599623366 349230874 /nfs/dbraw/zinc/23/08/74/349230874.db2.gz OZYXRXODHWUVKH-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO COC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599623366 349230875 /nfs/dbraw/zinc/23/08/75/349230875.db2.gz OZYXRXODHWUVKH-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO CC(C)c1nc(N(C)Cc2cc[nH]n2)cc[nH+]1 ZINC000601746721 349338993 /nfs/dbraw/zinc/33/89/93/349338993.db2.gz VDOOGJIZQZHYRX-UHFFFAOYSA-N 1 2 231.303 1.960 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)CC1CCC1 ZINC000601913705 349378524 /nfs/dbraw/zinc/37/85/24/349378524.db2.gz UAPWLVDRAOKORQ-AWEZNQCLSA-N 1 2 212.318 1.469 20 0 BDADLO Cc1ocnc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881998 350047673 /nfs/dbraw/zinc/04/76/73/350047673.db2.gz JZPDYFPENWMAER-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnns1 ZINC000603881775 350048052 /nfs/dbraw/zinc/04/80/52/350048052.db2.gz IUCQDCSUCSCAFF-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO CCC1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636898310 350055262 /nfs/dbraw/zinc/05/52/62/350055262.db2.gz QVGOWHPMZKHKRF-SNVBAGLBSA-N 1 2 248.330 1.297 20 0 BDADLO CCCCc1cc(NC[C@@H](O)CC)nc[nH+]1 ZINC000631282082 350057023 /nfs/dbraw/zinc/05/70/23/350057023.db2.gz OKZUAGRVWDFAAC-NSHDSACASA-N 1 2 223.320 1.424 20 0 BDADLO O=C(CCC1CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000604325504 350102869 /nfs/dbraw/zinc/10/28/69/350102869.db2.gz TWWGZEVTUSTOBO-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CSC[NH2+]2)sc1C ZINC000042573171 180010931 /nfs/dbraw/zinc/01/09/31/180010931.db2.gz OCZVQTSVNUJRLN-ZETCQYMHSA-N 1 2 243.357 1.361 20 0 BDADLO Cc1nc([C@@H](C)N(C)Cc2[nH+]ccn2C)no1 ZINC000289430697 180032505 /nfs/dbraw/zinc/03/25/05/180032505.db2.gz XOXCYBUXUFHTPR-MRVPVSSYSA-N 1 2 235.291 1.305 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)no1 ZINC000352351398 180036207 /nfs/dbraw/zinc/03/62/07/180036207.db2.gz XSPPRMKCCBDVRN-APPZFPTMSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)no1 ZINC000352351398 180036209 /nfs/dbraw/zinc/03/62/09/180036209.db2.gz XSPPRMKCCBDVRN-APPZFPTMSA-N 1 2 225.292 1.142 20 0 BDADLO COc1ccc[nH+]c1N[C@@H]1CCOC[C@H]1C ZINC000300838017 490324252 /nfs/dbraw/zinc/32/42/52/490324252.db2.gz IZAMHDRNOBBDIW-NXEZZACHSA-N 1 2 222.288 1.927 20 0 BDADLO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H]2CCCO2)no1 ZINC000329182399 180045502 /nfs/dbraw/zinc/04/55/02/180045502.db2.gz PAJBJSHANQURGJ-MNOVXSKESA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc([C@@H]2CCC[N@H+]2C[C@H]2CCCO2)no1 ZINC000329182399 180045505 /nfs/dbraw/zinc/04/55/05/180045505.db2.gz PAJBJSHANQURGJ-MNOVXSKESA-N 1 2 237.303 1.694 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000359729801 180067795 /nfs/dbraw/zinc/06/77/95/180067795.db2.gz OARHBHDLAOCMPK-TVQRCGJNSA-N 1 2 247.342 1.481 20 0 BDADLO Cc1nc([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)no1 ZINC000363506365 180055603 /nfs/dbraw/zinc/05/56/03/180055603.db2.gz JHVPCXRNBMEHAQ-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)no1 ZINC000363506365 180055604 /nfs/dbraw/zinc/05/56/04/180055604.db2.gz JHVPCXRNBMEHAQ-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)no1 ZINC000363506365 180055605 /nfs/dbraw/zinc/05/56/05/180055605.db2.gz JHVPCXRNBMEHAQ-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)no1 ZINC000362386142 180055901 /nfs/dbraw/zinc/05/59/01/180055901.db2.gz ODCLXHBYFJCTTI-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)no1 ZINC000362386142 180055906 /nfs/dbraw/zinc/05/59/06/180055906.db2.gz ODCLXHBYFJCTTI-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)no1 ZINC000362386142 180055909 /nfs/dbraw/zinc/05/59/09/180055909.db2.gz ODCLXHBYFJCTTI-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)no1 ZINC000362386142 180055911 /nfs/dbraw/zinc/05/59/11/180055911.db2.gz ODCLXHBYFJCTTI-JTQLQIEISA-N 1 2 247.302 1.481 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)c3cn[nH]c3)cc2[nH+]1 ZINC000040438344 180082423 /nfs/dbraw/zinc/08/24/23/180082423.db2.gz RFYZCJDJXOYBJY-UHFFFAOYSA-N 1 2 241.254 1.847 20 0 BDADLO Cc1[nH]c2cc(NC(=O)c3cn[nH]c3)ccc2[nH+]1 ZINC000040438344 180082428 /nfs/dbraw/zinc/08/24/28/180082428.db2.gz RFYZCJDJXOYBJY-UHFFFAOYSA-N 1 2 241.254 1.847 20 0 BDADLO Cn1c[nH+]cc1CCCn1ccsc1=O ZINC000314073708 350165802 /nfs/dbraw/zinc/16/58/02/350165802.db2.gz UEVJNUQHHWHNDZ-UHFFFAOYSA-N 1 2 223.301 1.276 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H](C)C(F)(F)F)c[nH+]1 ZINC000356418491 180130587 /nfs/dbraw/zinc/13/05/87/180130587.db2.gz XRLRSSATTGRVTR-RXMQYKEDSA-N 1 2 235.209 1.646 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)C[C@H]2CCCO2)c[nH+]1 ZINC000333978512 180132801 /nfs/dbraw/zinc/13/28/01/180132801.db2.gz OBOVLTJZCGHFSL-WCBMZHEXSA-N 1 2 237.303 1.406 20 0 BDADLO Cc1ncc(C[N@H+](C)CC2OCCO2)s1 ZINC000172693108 180136777 /nfs/dbraw/zinc/13/67/77/180136777.db2.gz IVKZNSIMWGUWCM-UHFFFAOYSA-N 1 2 228.317 1.256 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC2OCCO2)s1 ZINC000172693108 180136781 /nfs/dbraw/zinc/13/67/81/180136781.db2.gz IVKZNSIMWGUWCM-UHFFFAOYSA-N 1 2 228.317 1.256 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000341056511 180142167 /nfs/dbraw/zinc/14/21/67/180142167.db2.gz ZCUBNTFGCZDUBU-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000341056511 180142170 /nfs/dbraw/zinc/14/21/70/180142170.db2.gz ZCUBNTFGCZDUBU-CYBMUJFWSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCOCC(C)C ZINC000353168078 180118409 /nfs/dbraw/zinc/11/84/09/180118409.db2.gz WONODDKJMFAFTG-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1nccs1 ZINC000346242605 180118980 /nfs/dbraw/zinc/11/89/80/180118980.db2.gz SIAJBENXVXTESY-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1nccs1 ZINC000346242605 180118983 /nfs/dbraw/zinc/11/89/83/180118983.db2.gz SIAJBENXVXTESY-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(F)c1 ZINC000346162465 180119394 /nfs/dbraw/zinc/11/93/94/180119394.db2.gz ZXKUPLCCEJCQAC-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(F)c1 ZINC000346162465 180119397 /nfs/dbraw/zinc/11/93/97/180119397.db2.gz ZXKUPLCCEJCQAC-UHFFFAOYSA-N 1 2 247.273 1.716 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C[C@H]1F ZINC000335653197 180120292 /nfs/dbraw/zinc/12/02/92/180120292.db2.gz XKAJWTIEXVKLGN-SCZZXKLOSA-N 1 2 211.240 1.082 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(F)c1 ZINC000336064631 180120334 /nfs/dbraw/zinc/12/03/34/180120334.db2.gz SCTUFWOEXCWFAR-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1noc(C)c1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000346294066 180120699 /nfs/dbraw/zinc/12/06/99/180120699.db2.gz ZGJRZGREAXVFJU-UHFFFAOYSA-N 1 2 248.286 1.182 20 0 BDADLO Cc1noc(C)c1CNC(=O)Cc1[nH+]c[nH]c1C ZINC000346294066 180120701 /nfs/dbraw/zinc/12/07/01/180120701.db2.gz ZGJRZGREAXVFJU-UHFFFAOYSA-N 1 2 248.286 1.182 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000336563033 180120763 /nfs/dbraw/zinc/12/07/63/180120763.db2.gz RDSXXIORKKFEHL-UWVGGRQHSA-N 1 2 235.331 1.765 20 0 BDADLO Cc1ncc(C[NH2+]Cc2nnc(C)n2C)s1 ZINC000040998089 180153512 /nfs/dbraw/zinc/15/35/12/180153512.db2.gz JUHYQICOFFBFGX-UHFFFAOYSA-N 1 2 237.332 1.178 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2ccon2)cn1 ZINC000336777198 180154299 /nfs/dbraw/zinc/15/42/99/180154299.db2.gz HQDXNHLARHSOOB-QMMMGPOBSA-N 1 2 218.260 1.624 20 0 BDADLO Cc1ncc(CNc2cc[nH+]cc2F)cn1 ZINC000309841613 180159470 /nfs/dbraw/zinc/15/94/70/180159470.db2.gz DNLABIFYEVUCOV-UHFFFAOYSA-N 1 2 218.235 1.931 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2ccn(C)n2)c(C)n1 ZINC000358238801 180172616 /nfs/dbraw/zinc/17/26/16/180172616.db2.gz NIEAFTOBZKOJAE-SECBINFHSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nc(N2CCC[C@]23CCOC3)cc[nH+]1 ZINC000376429057 180193560 /nfs/dbraw/zinc/19/35/60/180193560.db2.gz SCPOFHTWZNETCT-GFCCVEGCSA-N 1 2 219.288 1.544 20 0 BDADLO Cc1nc(N2CC[C@](CO)(C(C)C)C2)cc[nH+]1 ZINC000377979656 180193805 /nfs/dbraw/zinc/19/38/05/180193805.db2.gz ZNPYBTJFXGZKNW-ZDUSSCGKSA-N 1 2 235.331 1.630 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[S@@](=O)CC2)cc[nH+]1 ZINC000276986274 180193981 /nfs/dbraw/zinc/19/39/81/180193981.db2.gz GEQNMYHTWHSDAF-ABKXIKBNSA-N 1 2 239.344 1.132 20 0 BDADLO CNC(=O)C[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000428293083 191077601 /nfs/dbraw/zinc/07/76/01/191077601.db2.gz FNNMJBLMDULSQQ-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000428293083 191077604 /nfs/dbraw/zinc/07/76/04/191077604.db2.gz FNNMJBLMDULSQQ-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO Cc1nc(NCC2([C@@H](O)C(C)C)CC2)cc[nH+]1 ZINC000271839942 180197622 /nfs/dbraw/zinc/19/76/22/180197622.db2.gz QBWWCFSVUHQTAC-LBPRGKRZSA-N 1 2 235.331 1.994 20 0 BDADLO Cc1nc(NC[C@H]2CCCCO2)cc[nH+]1 ZINC000054936324 180200088 /nfs/dbraw/zinc/20/00/88/180200088.db2.gz AIJSPTMLOJRCJD-SNVBAGLBSA-N 1 2 207.277 1.766 20 0 BDADLO Cc1nc(NCCc2nccnc2C)cc[nH+]1 ZINC000292879463 180200512 /nfs/dbraw/zinc/20/05/12/180200512.db2.gz UOBKEBMEIMIUPZ-UHFFFAOYSA-N 1 2 229.287 1.538 20 0 BDADLO Cc1nc(NC[C@@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000286430994 180200714 /nfs/dbraw/zinc/20/07/14/180200714.db2.gz QQASGSHSTFCLDK-ONGXEEELSA-N 1 2 221.304 1.870 20 0 BDADLO Cc1nc(NCc2cnn(C)c2)cc[nH+]1 ZINC000054936133 180202086 /nfs/dbraw/zinc/20/20/86/180202086.db2.gz PYKLKEYCPGBVKC-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(N[C@H](C)[C@H]2CCOC2)cc[nH+]1 ZINC000127237919 180204924 /nfs/dbraw/zinc/20/49/24/180204924.db2.gz QLFGIWQJKQQRQD-SCZZXKLOSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3OCCC[C@H]23)cc[nH+]1 ZINC000302524905 180205525 /nfs/dbraw/zinc/20/55/25/180205525.db2.gz CRPOSKHXCPAXAT-GMTAPVOTSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(N[C@@H]2C[C@@H](O)C2(C)C)cc[nH+]1 ZINC000168301652 180205835 /nfs/dbraw/zinc/20/58/35/180205835.db2.gz JMBXWBNXHRJXQM-RKDXNWHRSA-N 1 2 207.277 1.356 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccncc2F)cc[nH+]1 ZINC000337782159 180181223 /nfs/dbraw/zinc/18/12/23/180181223.db2.gz BUYPHRPAEKLXFC-QMMMGPOBSA-N 1 2 232.262 1.914 20 0 BDADLO Cc1nc(N[C@@H](C)c2cc[nH]c(=O)c2)cc[nH+]1 ZINC000338732377 180181267 /nfs/dbraw/zinc/18/12/67/180181267.db2.gz FTBZKZZYGIHTSH-QMMMGPOBSA-N 1 2 230.271 1.481 20 0 BDADLO Cc1nc(NC[C@]2(C)CCOC2)cc[nH+]1 ZINC000336743799 180181412 /nfs/dbraw/zinc/18/14/12/180181412.db2.gz YMKNCVXJFUXLDK-NSHDSACASA-N 1 2 207.277 1.045 20 0 BDADLO Cc1nc(NC[C@@H]2CCC(C)(C)O2)cc[nH+]1 ZINC000336738340 180182041 /nfs/dbraw/zinc/18/20/41/180182041.db2.gz OBUCXCQMMBCZMX-JTQLQIEISA-N 1 2 221.304 1.576 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC000366467545 180183998 /nfs/dbraw/zinc/18/39/98/180183998.db2.gz SLVBVZGYRCFNPB-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC000366467545 180183999 /nfs/dbraw/zinc/18/39/99/180183999.db2.gz SLVBVZGYRCFNPB-ZDUSSCGKSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ncccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264571720 180213786 /nfs/dbraw/zinc/21/37/86/180213786.db2.gz UOPJXPFNKKSCNJ-SNVBAGLBSA-N 1 2 244.298 1.405 20 0 BDADLO Cc1ncccc1C[NH+]1CCN(C)CC1 ZINC000091361893 180220036 /nfs/dbraw/zinc/22/00/36/180220036.db2.gz XCCWXMNKEUZRSB-UHFFFAOYSA-N 1 2 205.305 1.137 20 0 BDADLO Cc1[nH+]cccc1Cc1nc(N(C)C)no1 ZINC000285279395 180223634 /nfs/dbraw/zinc/22/36/34/180223634.db2.gz IIZRVAOXVMYVEE-UHFFFAOYSA-N 1 2 218.260 1.430 20 0 BDADLO CC/C=C/CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637191557 350250432 /nfs/dbraw/zinc/25/04/32/350250432.db2.gz SFVXNAXZLDZOLJ-FSIBCCDJSA-N 1 2 234.303 1.073 20 0 BDADLO Cc1ncsc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000172021285 180316629 /nfs/dbraw/zinc/31/66/29/180316629.db2.gz COKVQADPZXBXAC-VIFPVBQESA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncsc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000172021285 180316632 /nfs/dbraw/zinc/31/66/32/180316632.db2.gz COKVQADPZXBXAC-VIFPVBQESA-N 1 2 239.344 1.114 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)COCC(F)F ZINC000637243568 350341530 /nfs/dbraw/zinc/34/15/30/350341530.db2.gz UJWGHLOSIMVLGH-UHFFFAOYSA-N 1 2 244.241 1.919 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1ccnn1C ZINC000179428843 180314397 /nfs/dbraw/zinc/31/43/97/180314397.db2.gz YVRWPUTWZLFAPU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1ccnn1C ZINC000179428843 180314402 /nfs/dbraw/zinc/31/44/02/180314402.db2.gz YVRWPUTWZLFAPU-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccnn2C)cs1 ZINC000040435618 350363041 /nfs/dbraw/zinc/36/30/41/350363041.db2.gz CCVKSHLEJVGRPN-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)ccc1F ZINC000335170065 538090137 /nfs/dbraw/zinc/09/01/37/538090137.db2.gz NNDMCZXICSSGFI-UHFFFAOYSA-N 1 2 247.273 1.798 20 0 BDADLO Cc1ncsc1COCc1[nH]cc[nH+]1 ZINC000289399224 180324634 /nfs/dbraw/zinc/32/46/34/180324634.db2.gz SGVZVVRDHBMQBJ-UHFFFAOYSA-N 1 2 209.274 1.891 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000336579219 180325213 /nfs/dbraw/zinc/32/52/13/180325213.db2.gz RFYDORSRZOICAU-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1ncsc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000336579219 180325214 /nfs/dbraw/zinc/32/52/14/180325214.db2.gz RFYDORSRZOICAU-QMMMGPOBSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000289426023 180319290 /nfs/dbraw/zinc/31/92/90/180319290.db2.gz WXKBYBFDEXXNSX-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1ncsc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000289426023 180319291 /nfs/dbraw/zinc/31/92/91/180319291.db2.gz WXKBYBFDEXXNSX-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccco1 ZINC000074726824 490500037 /nfs/dbraw/zinc/50/00/37/490500037.db2.gz RJBMVTFQRCJPLB-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccco1 ZINC000074726824 490500044 /nfs/dbraw/zinc/50/00/44/490500044.db2.gz RJBMVTFQRCJPLB-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cc1[nH]c(CN2CC(C(C)(C)O)C2)[nH+]c1C ZINC000628307189 350455650 /nfs/dbraw/zinc/45/56/50/350455650.db2.gz UDKLJRCJIUWTFM-UHFFFAOYSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1nc(C[NH+]2CC(C(C)(C)O)C2)[nH]c1C ZINC000628307189 350455653 /nfs/dbraw/zinc/45/56/53/350455653.db2.gz UDKLJRCJIUWTFM-UHFFFAOYSA-N 1 2 223.320 1.229 20 0 BDADLO CC[N@@H+](Cc1nccc(C)n1)C[C@H]1CCCO1 ZINC000336706690 350459570 /nfs/dbraw/zinc/45/95/70/350459570.db2.gz ODUHFPUBFVBGQU-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CC[N@H+](Cc1nccc(C)n1)C[C@H]1CCCO1 ZINC000336706690 350459573 /nfs/dbraw/zinc/45/95/73/350459573.db2.gz ODUHFPUBFVBGQU-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427988043 191104510 /nfs/dbraw/zinc/10/45/10/191104510.db2.gz BVZQSAYZLRNJNB-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO Cc1[nH]c(CN2CC3(C2)CCOCC3)[nH+]c1C ZINC000628307062 350440303 /nfs/dbraw/zinc/44/03/03/350440303.db2.gz LHOGJVCGNUNNLJ-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO Cc1nc(C[NH+]2CC3(C2)CCOCC3)[nH]c1C ZINC000628307062 350440308 /nfs/dbraw/zinc/44/03/08/350440308.db2.gz LHOGJVCGNUNNLJ-UHFFFAOYSA-N 1 2 235.331 1.639 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000020349989 180379450 /nfs/dbraw/zinc/37/94/50/180379450.db2.gz ZBRRIHVCULIDNF-SECBINFHSA-N 1 2 233.319 1.313 20 0 BDADLO CC(C)n1nccc1C(=O)NCCn1cc[nH+]c1 ZINC000133442465 191106338 /nfs/dbraw/zinc/10/63/38/191106338.db2.gz MNYKDRINVDLLKP-UHFFFAOYSA-N 1 2 247.302 1.091 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000637403283 350537210 /nfs/dbraw/zinc/53/72/10/350537210.db2.gz ITIOYVZRDWQBQG-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000637403283 350537213 /nfs/dbraw/zinc/53/72/13/350537213.db2.gz ITIOYVZRDWQBQG-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCCSC ZINC000229434110 350575988 /nfs/dbraw/zinc/57/59/88/350575988.db2.gz VWVFOUYQFUUWQT-UHFFFAOYSA-N 1 2 242.348 1.623 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCCSC ZINC000229434110 350575991 /nfs/dbraw/zinc/57/59/91/350575991.db2.gz VWVFOUYQFUUWQT-UHFFFAOYSA-N 1 2 242.348 1.623 20 0 BDADLO CCN1CC[N@H+](CCOCC(C)C)[C@H](C)C1=O ZINC000337408296 350583453 /nfs/dbraw/zinc/58/34/53/350583453.db2.gz KKHPWZFCRXVCGK-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCN1CC[N@@H+](CCOCC(C)C)[C@H](C)C1=O ZINC000337408296 350583455 /nfs/dbraw/zinc/58/34/55/350583455.db2.gz KKHPWZFCRXVCGK-GFCCVEGCSA-N 1 2 242.363 1.212 20 0 BDADLO CCOCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936532 350629427 /nfs/dbraw/zinc/62/94/27/350629427.db2.gz JURUISJQQMKKOS-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO CCOCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606936532 350629430 /nfs/dbraw/zinc/62/94/30/350629430.db2.gz JURUISJQQMKKOS-QMMMGPOBSA-N 1 2 227.226 1.286 20 0 BDADLO CC(C)CN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338149832 350671569 /nfs/dbraw/zinc/67/15/69/350671569.db2.gz JPEJGWPPVUZYSI-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC1([S@@](C)=O)CC1 ZINC000309537628 350709406 /nfs/dbraw/zinc/70/94/06/350709406.db2.gz FHHMZUWUVUIZJB-ZKANADHPSA-N 1 2 241.360 1.280 20 0 BDADLO CCN1CC[N@H+](CCSC(C)C)CC1=O ZINC000338294387 350677058 /nfs/dbraw/zinc/67/70/58/350677058.db2.gz ZHEWNSXSPNBEHO-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO CCN1CC[N@@H+](CCSC(C)C)CC1=O ZINC000338294387 350677059 /nfs/dbraw/zinc/67/70/59/350677059.db2.gz ZHEWNSXSPNBEHO-UHFFFAOYSA-N 1 2 230.377 1.292 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153160391 362976304 /nfs/dbraw/zinc/97/63/04/362976304.db2.gz YYHDWTDVZUEGFV-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1ccc(O)cc1)C1CC1 ZINC000234561917 350699403 /nfs/dbraw/zinc/69/94/03/350699403.db2.gz JINNIPYIAYKLAW-LBPRGKRZSA-N 1 2 235.283 1.433 20 0 BDADLO COc1ccccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000007791979 350718820 /nfs/dbraw/zinc/71/88/20/350718820.db2.gz AKKDQOOJYHRPPG-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1ccccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000007791979 350718826 /nfs/dbraw/zinc/71/88/26/350718826.db2.gz AKKDQOOJYHRPPG-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO C[N@H+](CC(=O)[O-])Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035305250 358458017 /nfs/dbraw/zinc/45/80/17/358458017.db2.gz ZZCYNDSGMOBXBC-UHFFFAOYSA-N 1 2 245.282 1.389 20 0 BDADLO C[N@@H+](CC(=O)[O-])Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035305250 358458021 /nfs/dbraw/zinc/45/80/21/358458021.db2.gz ZZCYNDSGMOBXBC-UHFFFAOYSA-N 1 2 245.282 1.389 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)COC)C(=O)OCC ZINC000097988012 350726933 /nfs/dbraw/zinc/72/69/33/350726933.db2.gz AEQRUZNOWXJNMU-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO CCn1nncc1CNc1ccc[nH+]c1C ZINC000577591567 366009563 /nfs/dbraw/zinc/00/95/63/366009563.db2.gz GUWIHMZFRKCREU-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CC[N@H+](Cc1ncc(Cl)s1)[C@@H](C)CO ZINC000339634554 350770510 /nfs/dbraw/zinc/77/05/10/350770510.db2.gz ZCPNTJSABGCGAW-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO CC[N@@H+](Cc1ncc(Cl)s1)[C@@H](C)CO ZINC000339634554 350770515 /nfs/dbraw/zinc/77/05/15/350770515.db2.gz ZCPNTJSABGCGAW-ZETCQYMHSA-N 1 2 234.752 1.999 20 0 BDADLO Cc1nn(C)c(C)c1Nc1cc[nH+]c(N(C)C)n1 ZINC000607058613 350810896 /nfs/dbraw/zinc/81/08/96/350810896.db2.gz UTHDLWTVRSSOMM-UHFFFAOYSA-N 1 2 246.318 1.058 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)ccn1 ZINC000623563025 362987389 /nfs/dbraw/zinc/98/73/89/362987389.db2.gz LFQUAMYMIHVVJP-JQWIXIFHSA-N 1 2 243.314 1.777 20 0 BDADLO CC1(C)CCC[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398310213 351024450 /nfs/dbraw/zinc/02/44/50/351024450.db2.gz KUPFRSOGOYTOOA-VIFPVBQESA-N 1 2 208.309 1.863 20 0 BDADLO CC1(C)CCC[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398310213 351024452 /nfs/dbraw/zinc/02/44/52/351024452.db2.gz KUPFRSOGOYTOOA-VIFPVBQESA-N 1 2 208.309 1.863 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000628319019 351105915 /nfs/dbraw/zinc/10/59/15/351105915.db2.gz FZDKXHPFQBXTNW-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC[C@H](n3ccnn3)C2)n1 ZINC000628319019 351105916 /nfs/dbraw/zinc/10/59/16/351105916.db2.gz FZDKXHPFQBXTNW-NSHDSACASA-N 1 2 246.318 1.147 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)c2ccccc2)CC1=O ZINC000259433805 351068573 /nfs/dbraw/zinc/06/85/73/351068573.db2.gz OEJWGQVRMWWHTQ-GFCCVEGCSA-N 1 2 232.327 1.912 20 0 BDADLO CCN1CC[N@H+]([C@H](C)c2ccccc2)CC1=O ZINC000259433805 351068576 /nfs/dbraw/zinc/06/85/76/351068576.db2.gz OEJWGQVRMWWHTQ-GFCCVEGCSA-N 1 2 232.327 1.912 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn[nH]2)cs1 ZINC000398423005 351150194 /nfs/dbraw/zinc/15/01/94/351150194.db2.gz ZKHHGHBPWKFNRA-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO CCc1cccc(C[NH2+]Cc2cnn[nH]2)c1 ZINC000623578540 363011809 /nfs/dbraw/zinc/01/18/09/363011809.db2.gz MBPNMXXTLXITJA-UHFFFAOYSA-N 1 2 216.288 1.657 20 0 BDADLO CCc1cccc(C[NH2+]Cc2c[nH]nn2)c1 ZINC000623578540 363011815 /nfs/dbraw/zinc/01/18/15/363011815.db2.gz MBPNMXXTLXITJA-UHFFFAOYSA-N 1 2 216.288 1.657 20 0 BDADLO CCc1cccc(C[NH2+]Cc2cn[nH]n2)c1 ZINC000623578540 363011819 /nfs/dbraw/zinc/01/18/19/363011819.db2.gz MBPNMXXTLXITJA-UHFFFAOYSA-N 1 2 216.288 1.657 20 0 BDADLO Cc1c[nH]c(C[NH+]2CC(CC3CC3)C2)n1 ZINC000628361817 351334238 /nfs/dbraw/zinc/33/42/38/351334238.db2.gz UHOSEIRXQZHFBK-UHFFFAOYSA-N 1 2 205.305 1.950 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CC2=CCSC2)n1 ZINC000628352422 351315599 /nfs/dbraw/zinc/31/55/99/351315599.db2.gz IERZZBLWYNAPRN-UHFFFAOYSA-N 1 2 223.345 1.823 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CC2=CCSC2)n1 ZINC000628352422 351315600 /nfs/dbraw/zinc/31/56/00/351315600.db2.gz IERZZBLWYNAPRN-UHFFFAOYSA-N 1 2 223.345 1.823 20 0 BDADLO CCc1noc(CSCCn2cc[nH+]c2)n1 ZINC000090200344 363023422 /nfs/dbraw/zinc/02/34/22/363023422.db2.gz VAXFRZDOYNSLFN-UHFFFAOYSA-N 1 2 238.316 1.762 20 0 BDADLO CCc1nsc(N(C)Cc2[nH+]ccn2C)n1 ZINC000270959557 351392148 /nfs/dbraw/zinc/39/21/48/351392148.db2.gz QTEXIAMCHWEUBD-UHFFFAOYSA-N 1 2 237.332 1.470 20 0 BDADLO CC[C@@H](SC)C(=O)NCc1[nH]c[nH+]c1C ZINC000269665498 351364156 /nfs/dbraw/zinc/36/41/56/351364156.db2.gz LPVMRFOOLGTBPK-SECBINFHSA-N 1 2 227.333 1.476 20 0 BDADLO COC[C@H](NC(=O)CCn1cc[nH+]c1)C(C)C ZINC000607562543 351607435 /nfs/dbraw/zinc/60/74/35/351607435.db2.gz AVBHJGTXCLNSHY-NSHDSACASA-N 1 2 239.319 1.060 20 0 BDADLO CN(C)c1ccc(NC2CCOCC2)c[nH+]1 ZINC000036988781 358465762 /nfs/dbraw/zinc/46/57/62/358465762.db2.gz FKFZSGXFBNBSCH-UHFFFAOYSA-N 1 2 221.304 1.739 20 0 BDADLO CCC[C@@H](OCC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637828036 351670692 /nfs/dbraw/zinc/67/06/92/351670692.db2.gz OJJYPHDFIQBOTD-SNVBAGLBSA-N 1 2 237.303 1.638 20 0 BDADLO CC(C)c1nocc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000637827384 351675733 /nfs/dbraw/zinc/67/57/33/351675733.db2.gz FONGPABUNSPWTR-UHFFFAOYSA-N 1 2 246.270 1.858 20 0 BDADLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1ncc[nH]1 ZINC000577760535 366057138 /nfs/dbraw/zinc/05/71/38/366057138.db2.gz GMIFPNRGNOPCGZ-UHFFFAOYSA-N 1 2 247.302 1.048 20 0 BDADLO Cc1cc(C[N@@H+](C)CC(=O)NC(C)C)sn1 ZINC000637876074 351741522 /nfs/dbraw/zinc/74/15/22/351741522.db2.gz ZZTZVHMMCOAMDY-UHFFFAOYSA-N 1 2 241.360 1.408 20 0 BDADLO Cc1cc(C[N@H+](C)CC(=O)NC(C)C)sn1 ZINC000637876074 351741523 /nfs/dbraw/zinc/74/15/23/351741523.db2.gz ZZTZVHMMCOAMDY-UHFFFAOYSA-N 1 2 241.360 1.408 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccns2)CCO1 ZINC000637890024 351759270 /nfs/dbraw/zinc/75/92/70/351759270.db2.gz RVZSXCSLAZRQIC-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccns2)CCO1 ZINC000637890024 351759273 /nfs/dbraw/zinc/75/92/73/351759273.db2.gz RVZSXCSLAZRQIC-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccns2)CCO1 ZINC000637890026 351759753 /nfs/dbraw/zinc/75/97/53/351759753.db2.gz RVZSXCSLAZRQIC-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccns2)CCO1 ZINC000637890026 351759756 /nfs/dbraw/zinc/75/97/56/351759756.db2.gz RVZSXCSLAZRQIC-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@@H]1C[N@H+]([C@H](c2nccn2C)C2CC2)[C@@H](C)CO1 ZINC000637931114 351807596 /nfs/dbraw/zinc/80/75/96/351807596.db2.gz ZIZZNGFOVQTVGC-LOWVWBTDSA-N 1 2 249.358 1.980 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H](c2nccn2C)C2CC2)[C@@H](C)CO1 ZINC000637931114 351807598 /nfs/dbraw/zinc/80/75/98/351807598.db2.gz ZIZZNGFOVQTVGC-LOWVWBTDSA-N 1 2 249.358 1.980 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000618870790 351942396 /nfs/dbraw/zinc/94/23/96/351942396.db2.gz FZJJAVPOBSWAJX-JTQLQIEISA-N 1 2 221.304 1.565 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C1CC1 ZINC000618870790 351942400 /nfs/dbraw/zinc/94/24/00/351942400.db2.gz FZJJAVPOBSWAJX-JTQLQIEISA-N 1 2 221.304 1.565 20 0 BDADLO CC1(C)C[N@H+](CC(N)=O)[C@@H]1c1cccs1 ZINC000286957746 352108402 /nfs/dbraw/zinc/10/84/02/352108402.db2.gz NBYZJGYUAWYSQT-SNVBAGLBSA-N 1 2 224.329 1.616 20 0 BDADLO CC1(C)C[N@@H+](CC(N)=O)[C@@H]1c1cccs1 ZINC000286957746 352108406 /nfs/dbraw/zinc/10/84/06/352108406.db2.gz NBYZJGYUAWYSQT-SNVBAGLBSA-N 1 2 224.329 1.616 20 0 BDADLO CCc1nc(NCc2nc[nH]n2)cc(C)[nH+]1 ZINC000288547294 352155523 /nfs/dbraw/zinc/15/55/23/352155523.db2.gz SQSXWSCEXHTKTL-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO CCc1nc(NCc2nnc[nH]2)cc(C)[nH+]1 ZINC000288547294 352155526 /nfs/dbraw/zinc/15/55/26/352155526.db2.gz SQSXWSCEXHTKTL-UHFFFAOYSA-N 1 2 218.264 1.078 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1cccnc1 ZINC000336004902 538102356 /nfs/dbraw/zinc/10/23/56/538102356.db2.gz DTGHEGLRJCERAE-UHFFFAOYSA-N 1 2 231.259 1.137 20 0 BDADLO CCCc1csc([C@H]2COCC[NH2+]2)n1 ZINC000083988512 352202621 /nfs/dbraw/zinc/20/26/21/352202621.db2.gz VQTDSLVNIPVSNR-SECBINFHSA-N 1 2 212.318 1.757 20 0 BDADLO CC(C)[C@H]1CCCCN1Cc1noc(C[NH3+])n1 ZINC000261725082 535176025 /nfs/dbraw/zinc/17/60/25/535176025.db2.gz LLIDLIXSWYOYMM-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO CCN(c1cc[nH+]c(C2CC2)n1)[C@H](C)CO ZINC000291964173 352296409 /nfs/dbraw/zinc/29/64/09/352296409.db2.gz VNWLVONAPSCOBV-SECBINFHSA-N 1 2 221.304 1.561 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H](C)CC2)nc(N)[nH+]1 ZINC000383580769 352302314 /nfs/dbraw/zinc/30/23/14/352302314.db2.gz LVOQSNNJERGYIZ-PSASIEDQSA-N 1 2 235.335 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCC[C@@H](C)CC2)[nH+]1 ZINC000383580769 352302319 /nfs/dbraw/zinc/30/23/19/352302319.db2.gz LVOQSNNJERGYIZ-PSASIEDQSA-N 1 2 235.335 1.973 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccncc1 ZINC000293462332 352351658 /nfs/dbraw/zinc/35/16/58/352351658.db2.gz DEWVNMOQBSIQET-GFCCVEGCSA-N 1 2 231.303 1.451 20 0 BDADLO Cc1nc([C@@H](C)N2CC[NH+](C3CCC3)CC2)n[nH]1 ZINC000411263084 191173573 /nfs/dbraw/zinc/17/35/73/191173573.db2.gz DTWAIMONVOOGDZ-SNVBAGLBSA-N 1 2 249.362 1.344 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411309739 191177188 /nfs/dbraw/zinc/17/71/88/191177188.db2.gz MJHYZWGSGHNDQV-NWDGAFQWSA-N 1 2 246.289 1.932 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411309739 191177190 /nfs/dbraw/zinc/17/71/90/191177190.db2.gz MJHYZWGSGHNDQV-NWDGAFQWSA-N 1 2 246.289 1.932 20 0 BDADLO COc1ccc[nH+]c1NCCSCCCO ZINC000230774369 352362995 /nfs/dbraw/zinc/36/29/95/352362995.db2.gz FAPCBPVYPPDCRF-UHFFFAOYSA-N 1 2 242.344 1.618 20 0 BDADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCCO ZINC000411552142 191193774 /nfs/dbraw/zinc/19/37/74/191193774.db2.gz NIJUWLPZGKZKOZ-CYBMUJFWSA-N 1 2 238.331 1.171 20 0 BDADLO Cn1cccc1[C@H]1COCC[N@H+]1CCCCO ZINC000411552142 191193776 /nfs/dbraw/zinc/19/37/76/191193776.db2.gz NIJUWLPZGKZKOZ-CYBMUJFWSA-N 1 2 238.331 1.171 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000349679662 133902039 /nfs/dbraw/zinc/90/20/39/133902039.db2.gz MFUWAOKWEIWEDL-GHMZBOCLSA-N 1 2 236.319 1.371 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)o1 ZINC000638638524 352479634 /nfs/dbraw/zinc/47/96/34/352479634.db2.gz GVCLBWYNDLDQBF-SNVBAGLBSA-N 1 2 237.303 1.082 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(C)ccc1OC ZINC000015312121 352508582 /nfs/dbraw/zinc/50/85/82/352508582.db2.gz AAOHKNGXLMSVJH-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(C)ccc1OC ZINC000015312121 352508585 /nfs/dbraw/zinc/50/85/85/352508585.db2.gz AAOHKNGXLMSVJH-UHFFFAOYSA-N 1 2 236.315 1.181 20 0 BDADLO CC(C)(C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000043311351 352631634 /nfs/dbraw/zinc/63/16/34/352631634.db2.gz DVJNFRUIERHJIF-UHFFFAOYSA-N 1 2 238.335 1.619 20 0 BDADLO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)OC(C)(C)C ZINC000300368035 187812272 /nfs/dbraw/zinc/81/22/72/187812272.db2.gz ODGHUIWJIKUYNA-CABZTGNLSA-N 1 2 229.320 1.485 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccccc1 ZINC000341583060 352714139 /nfs/dbraw/zinc/71/41/39/352714139.db2.gz JWXZOKIENOJTHN-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccccc1 ZINC000341583060 352714142 /nfs/dbraw/zinc/71/41/42/352714142.db2.gz JWXZOKIENOJTHN-UHFFFAOYSA-N 1 2 230.315 1.837 20 0 BDADLO Cc1nc([C@@H]2CC[N@H+](CCC(F)(F)F)C2)n[nH]1 ZINC000412047514 191244126 /nfs/dbraw/zinc/24/41/26/191244126.db2.gz VEEIUSICNGMXKX-MRVPVSSYSA-N 1 2 248.252 1.855 20 0 BDADLO Cc1nc([C@@H]2CC[N@@H+](CCC(F)(F)F)C2)n[nH]1 ZINC000412047514 191244128 /nfs/dbraw/zinc/24/41/28/191244128.db2.gz VEEIUSICNGMXKX-MRVPVSSYSA-N 1 2 248.252 1.855 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc[nH]n1 ZINC000334186279 352775427 /nfs/dbraw/zinc/77/54/27/352775427.db2.gz FSMXMIHZZBXFKM-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc[nH]n1 ZINC000334186279 352775429 /nfs/dbraw/zinc/77/54/29/352775429.db2.gz FSMXMIHZZBXFKM-ONGXEEELSA-N 1 2 209.293 1.409 20 0 BDADLO COC(=O)c1occc1C[NH2+]Cc1ccoc1 ZINC000164454527 352775798 /nfs/dbraw/zinc/77/57/98/352775798.db2.gz UJTNSHVKCIBUEE-UHFFFAOYSA-N 1 2 235.239 1.949 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)nc1 ZINC000334174820 352759531 /nfs/dbraw/zinc/75/95/31/352759531.db2.gz BTWJDAVNNDMVBR-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)nc1 ZINC000334174820 352759532 /nfs/dbraw/zinc/75/95/32/352759532.db2.gz BTWJDAVNNDMVBR-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cccnc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000267377305 187844926 /nfs/dbraw/zinc/84/49/26/187844926.db2.gz JXVRCAOGRAKOSI-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)NCC2(C)C)n1 ZINC000334182080 352769888 /nfs/dbraw/zinc/76/98/88/352769888.db2.gz FDSJZFDPSGGRLS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)NCC2(C)C)n1 ZINC000334182080 352769893 /nfs/dbraw/zinc/76/98/93/352769893.db2.gz FDSJZFDPSGGRLS-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000334183573 352772566 /nfs/dbraw/zinc/77/25/66/352772566.db2.gz GJPWWKPOBWDYNF-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334206842 352802850 /nfs/dbraw/zinc/80/28/50/352802850.db2.gz DNWHZZPBOBANSH-NXEZZACHSA-N 1 2 235.331 1.675 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334206842 352802853 /nfs/dbraw/zinc/80/28/53/352802853.db2.gz DNWHZZPBOBANSH-NXEZZACHSA-N 1 2 235.331 1.675 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000334259583 352871241 /nfs/dbraw/zinc/87/12/41/352871241.db2.gz QOIIJEKPRTZNAY-LBPRGKRZSA-N 1 2 227.254 1.732 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000334259583 352871243 /nfs/dbraw/zinc/87/12/43/352871243.db2.gz QOIIJEKPRTZNAY-LBPRGKRZSA-N 1 2 227.254 1.732 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334245061 352834617 /nfs/dbraw/zinc/83/46/17/352834617.db2.gz DOTLZYHHTMOXBY-LLVKDONJSA-N 1 2 249.314 1.098 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334245061 352834620 /nfs/dbraw/zinc/83/46/20/352834620.db2.gz DOTLZYHHTMOXBY-LLVKDONJSA-N 1 2 249.314 1.098 20 0 BDADLO FC(F)(F)CC[N@@H+]1CCOCC12CC2 ZINC000334245157 352834627 /nfs/dbraw/zinc/83/46/27/352834627.db2.gz SLWCFAFVQUXOLO-UHFFFAOYSA-N 1 2 209.211 1.804 20 0 BDADLO FC(F)(F)CC[N@H+]1CCOCC12CC2 ZINC000334245157 352834629 /nfs/dbraw/zinc/83/46/29/352834629.db2.gz SLWCFAFVQUXOLO-UHFFFAOYSA-N 1 2 209.211 1.804 20 0 BDADLO O=C(c1ccco1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334250082 352843538 /nfs/dbraw/zinc/84/35/38/352843538.db2.gz YOHCRFZJUBYTLM-VIFPVBQESA-N 1 2 231.255 1.980 20 0 BDADLO c1ccc(C[N@@H+]2CCOCC23CC3)nc1 ZINC000334271161 352907795 /nfs/dbraw/zinc/90/77/95/352907795.db2.gz ULRHBFXUXKTEOQ-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO c1ccc(C[N@H+]2CCOCC23CC3)nc1 ZINC000334271161 352907796 /nfs/dbraw/zinc/90/77/96/352907796.db2.gz ULRHBFXUXKTEOQ-UHFFFAOYSA-N 1 2 204.273 1.446 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC23CCCC3)nc1 ZINC000342869144 352884056 /nfs/dbraw/zinc/88/40/56/352884056.db2.gz TZNJJDDRKQYYNU-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC23CCCC3)nc1 ZINC000342869144 352884061 /nfs/dbraw/zinc/88/40/61/352884061.db2.gz TZNJJDDRKQYYNU-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCOC[C@H]1C ZINC000334263370 352897295 /nfs/dbraw/zinc/89/72/95/352897295.db2.gz JPQZYNSTTYBEFS-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCOC[C@H]1C ZINC000334263370 352897301 /nfs/dbraw/zinc/89/73/01/352897301.db2.gz JPQZYNSTTYBEFS-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334300649 352937863 /nfs/dbraw/zinc/93/78/63/352937863.db2.gz VDEXWVCAGMTHEK-MRVPVSSYSA-N 1 2 207.277 1.183 20 0 BDADLO CCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334300649 352937866 /nfs/dbraw/zinc/93/78/66/352937866.db2.gz VDEXWVCAGMTHEK-MRVPVSSYSA-N 1 2 207.277 1.183 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000334314910 352946019 /nfs/dbraw/zinc/94/60/19/352946019.db2.gz QCNQBSMBDAENEX-DTWKUNHWSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000334314910 352946021 /nfs/dbraw/zinc/94/60/21/352946021.db2.gz QCNQBSMBDAENEX-DTWKUNHWSA-N 1 2 209.293 1.862 20 0 BDADLO CC(C)[C@@H](C)[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343037386 352948015 /nfs/dbraw/zinc/94/80/15/352948015.db2.gz JLPHABZOKLHZDC-SNVBAGLBSA-N 1 2 248.330 1.499 20 0 BDADLO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000343037386 352948016 /nfs/dbraw/zinc/94/80/16/352948016.db2.gz JLPHABZOKLHZDC-SNVBAGLBSA-N 1 2 248.330 1.499 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nnn1C[C@H]1CCOC1 ZINC000638914794 353073325 /nfs/dbraw/zinc/07/33/25/353073325.db2.gz WBOXTWICKAWWTM-GFCCVEGCSA-N 1 2 248.330 1.077 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nnn1C[C@H]1CCOC1 ZINC000638914794 353073326 /nfs/dbraw/zinc/07/33/26/353073326.db2.gz WBOXTWICKAWWTM-GFCCVEGCSA-N 1 2 248.330 1.077 20 0 BDADLO CC(C)c1nc(N[C@@H](CCO)C(C)C)cc[nH+]1 ZINC000608091366 353112569 /nfs/dbraw/zinc/11/25/69/353112569.db2.gz SLTXXTWLHGMPAL-NSHDSACASA-N 1 2 237.347 1.841 20 0 BDADLO CO[C@@](C)(C[N@@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000638972388 353177694 /nfs/dbraw/zinc/17/76/94/353177694.db2.gz GSJRMEGITNDAQW-AWEZNQCLSA-N 1 2 249.358 1.822 20 0 BDADLO CO[C@@](C)(C[N@H+]1CCn2cc(C)nc2C1)C1CC1 ZINC000638972388 353177695 /nfs/dbraw/zinc/17/76/95/353177695.db2.gz GSJRMEGITNDAQW-AWEZNQCLSA-N 1 2 249.358 1.822 20 0 BDADLO Cc1cc(CN2CCn3cc(C)[nH+]c3C2)sn1 ZINC000638973153 353178204 /nfs/dbraw/zinc/17/82/04/353178204.db2.gz JZHRWXHIDNIRIF-UHFFFAOYSA-N 1 2 248.355 1.972 20 0 BDADLO COc1cccc(C)c1C[NH2+]Cc1cn(C)nn1 ZINC000638975969 353181671 /nfs/dbraw/zinc/18/16/71/353181671.db2.gz RQYVBLGNHRXZGH-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CCn2cc(C)nc2C1)OC ZINC000638975472 353182432 /nfs/dbraw/zinc/18/24/32/353182432.db2.gz XADAIAUNCZBTOD-ZDUSSCGKSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@@](C)(C[N@H+]1CCn2cc(C)nc2C1)OC ZINC000638975472 353182434 /nfs/dbraw/zinc/18/24/34/353182434.db2.gz XADAIAUNCZBTOD-ZDUSSCGKSA-N 1 2 237.347 1.822 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(N)=O ZINC000285636424 538110410 /nfs/dbraw/zinc/11/04/10/538110410.db2.gz KZSPQUGKOSMCJC-RCOVLWMOSA-N 1 2 243.257 1.274 20 0 BDADLO CNC(=O)c1ccc(NCc2cn(C)c[nH+]2)cc1 ZINC000311087327 538112672 /nfs/dbraw/zinc/11/26/72/538112672.db2.gz HIKVDEJMGYGLAN-UHFFFAOYSA-N 1 2 244.298 1.392 20 0 BDADLO CCc1cc(=NC(=O)C2([NH2+]C3CC3)CCC2)[nH][nH]1 ZINC000639012742 353266533 /nfs/dbraw/zinc/26/65/33/353266533.db2.gz CKSCXJUCQRNTNX-UHFFFAOYSA-N 1 2 248.330 1.007 20 0 BDADLO CO[C@H](C[NH+]1CC(F)C1)C1CCCC1 ZINC000639037518 353309991 /nfs/dbraw/zinc/30/99/91/353309991.db2.gz ICIUHCXTFIWRPU-LLVKDONJSA-N 1 2 201.285 1.845 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)no1 ZINC000252698194 353303674 /nfs/dbraw/zinc/30/36/74/353303674.db2.gz LPCDHRMTKKLDJH-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)no1 ZINC000252698194 353303677 /nfs/dbraw/zinc/30/36/77/353303677.db2.gz LPCDHRMTKKLDJH-VHSXEESVSA-N 1 2 239.319 1.367 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccns1 ZINC000639044208 353330442 /nfs/dbraw/zinc/33/04/42/353330442.db2.gz GZPHUWIKJJOTEV-NSHDSACASA-N 1 2 239.344 1.373 20 0 BDADLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccns1 ZINC000639044208 353330446 /nfs/dbraw/zinc/33/04/46/353330446.db2.gz GZPHUWIKJJOTEV-NSHDSACASA-N 1 2 239.344 1.373 20 0 BDADLO CC1=C(C)CN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000334502540 353342820 /nfs/dbraw/zinc/34/28/20/353342820.db2.gz AYECBXYIMYLSCR-UHFFFAOYSA-N 1 2 233.315 1.911 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCC[C@H]2O)nc[nH+]1 ZINC000343289373 353369010 /nfs/dbraw/zinc/36/90/10/353369010.db2.gz PZKSQMSOAOODDZ-NXEZZACHSA-N 1 2 207.277 1.135 20 0 BDADLO Cc1cc(N(C)[C@@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000343289376 353369015 /nfs/dbraw/zinc/36/90/15/353369015.db2.gz PZKSQMSOAOODDZ-ZJUUUORDSA-N 1 2 207.277 1.135 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)sn1 ZINC000639061769 353369089 /nfs/dbraw/zinc/36/90/89/353369089.db2.gz QGZKOCHFSYVHPR-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H](C3CC3)C2)sn1 ZINC000639061769 353369091 /nfs/dbraw/zinc/36/90/91/353369091.db2.gz QGZKOCHFSYVHPR-NSHDSACASA-N 1 2 224.329 1.754 20 0 BDADLO CC[C@@](C)(C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083789 353423486 /nfs/dbraw/zinc/42/34/86/353423486.db2.gz FVSYMGJQHGZVMB-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@](C)(C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083789 353423489 /nfs/dbraw/zinc/42/34/89/353423489.db2.gz FVSYMGJQHGZVMB-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)sn1 ZINC000639093675 353471082 /nfs/dbraw/zinc/47/10/82/353471082.db2.gz NNZDZPJSDWKQQP-UWVGGRQHSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)sn1 ZINC000639093675 353471085 /nfs/dbraw/zinc/47/10/85/353471085.db2.gz NNZDZPJSDWKQQP-UWVGGRQHSA-N 1 2 242.344 1.033 20 0 BDADLO CCC[C@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639093887 353477241 /nfs/dbraw/zinc/47/72/41/353477241.db2.gz BZXBWPYKHRESMR-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639093887 353477242 /nfs/dbraw/zinc/47/72/42/353477242.db2.gz BZXBWPYKHRESMR-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639094059 353477825 /nfs/dbraw/zinc/47/78/25/353477825.db2.gz BZXBWPYKHRESMR-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000639094059 353477828 /nfs/dbraw/zinc/47/78/28/353477828.db2.gz BZXBWPYKHRESMR-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncnn2C)sn1 ZINC000639098316 353497790 /nfs/dbraw/zinc/49/77/90/353497790.db2.gz WNVIYCWEZKGFHR-QMMMGPOBSA-N 1 2 237.332 1.431 20 0 BDADLO C(C[N@@H+]1CCO[C@@H]2C[C@@H]21)O[C@H]1CCCCO1 ZINC000368630986 188427765 /nfs/dbraw/zinc/42/77/65/188427765.db2.gz GDNRXJSJGWDNKL-TUAOUCFPSA-N 1 2 227.304 1.003 20 0 BDADLO C(C[N@H+]1CCO[C@@H]2C[C@@H]21)O[C@H]1CCCCO1 ZINC000368630986 188427767 /nfs/dbraw/zinc/42/77/67/188427767.db2.gz GDNRXJSJGWDNKL-TUAOUCFPSA-N 1 2 227.304 1.003 20 0 BDADLO CC(=O)NCC[NH2+]c1ccc(N)c(C)c1 ZINC000036746301 188459690 /nfs/dbraw/zinc/45/96/90/188459690.db2.gz XSMXMJWLTWXJNY-UHFFFAOYSA-N 1 2 207.277 1.125 20 0 BDADLO CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000334515418 353609966 /nfs/dbraw/zinc/60/99/66/353609966.db2.gz RHKNRSICYNYSIZ-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO Fc1cccc2c1CC[N@H+](CC1OCCO1)C2 ZINC000272263389 181005169 /nfs/dbraw/zinc/00/51/69/181005169.db2.gz NLSDLNWESPNWGJ-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO Fc1cccc2c1CC[N@@H+](CC1OCCO1)C2 ZINC000272263389 181005171 /nfs/dbraw/zinc/00/51/71/181005171.db2.gz NLSDLNWESPNWGJ-UHFFFAOYSA-N 1 2 237.274 1.557 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000194952979 353706828 /nfs/dbraw/zinc/70/68/28/353706828.db2.gz OXQCVFGAGDRSCE-MFKMUULPSA-N 1 2 237.299 1.146 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000194952979 353706831 /nfs/dbraw/zinc/70/68/31/353706831.db2.gz OXQCVFGAGDRSCE-MFKMUULPSA-N 1 2 237.299 1.146 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)CS1 ZINC000639125994 353827728 /nfs/dbraw/zinc/82/77/28/353827728.db2.gz ACTZPXNGNUHNKP-APPZFPTMSA-N 1 2 239.344 1.931 20 0 BDADLO Fc1cncc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000275101178 181020104 /nfs/dbraw/zinc/02/01/04/181020104.db2.gz CJTYZKSMDQLZHJ-CHWSQXEVSA-N 1 2 236.290 1.974 20 0 BDADLO Fc1cncc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000275101178 181020107 /nfs/dbraw/zinc/02/01/07/181020107.db2.gz CJTYZKSMDQLZHJ-CHWSQXEVSA-N 1 2 236.290 1.974 20 0 BDADLO Cc1ccc(CCNc2ccc(CO)c[nH+]2)cc1 ZINC000639132898 353842567 /nfs/dbraw/zinc/84/25/67/353842567.db2.gz UVCNQTWLBSKIJQ-UHFFFAOYSA-N 1 2 242.322 1.959 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)sn1 ZINC000639145387 353851302 /nfs/dbraw/zinc/85/13/02/353851302.db2.gz QCTCERFGMRTJBL-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)sn1 ZINC000639145387 353851305 /nfs/dbraw/zinc/85/13/05/353851305.db2.gz QCTCERFGMRTJBL-SNVBAGLBSA-N 1 2 230.308 1.358 20 0 BDADLO Cc1nc(N2CC[C@H](COC(F)F)C2)cc[nH+]1 ZINC000343508626 353922817 /nfs/dbraw/zinc/92/28/17/353922817.db2.gz QRKXJJIOAOMYBO-VIFPVBQESA-N 1 2 243.257 1.851 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000334549375 353971865 /nfs/dbraw/zinc/97/18/65/353971865.db2.gz RQWXJWRACWNMER-QMMMGPOBSA-N 1 2 243.257 1.472 20 0 BDADLO CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000032319647 353988600 /nfs/dbraw/zinc/98/86/00/353988600.db2.gz REAAMFJZZRQYJW-LBPRGKRZSA-N 1 2 247.273 1.785 20 0 BDADLO C[C@H](C[NH+](C)C)N=c1nc(-c2ccccc2)o[nH]1 ZINC000343787061 353992553 /nfs/dbraw/zinc/99/25/53/353992553.db2.gz CFLCFOCUYCRRNI-SNVBAGLBSA-N 1 2 246.314 1.521 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000343963902 354074960 /nfs/dbraw/zinc/07/49/60/354074960.db2.gz QEGUXYNCKQGHJS-ZJUUUORDSA-N 1 2 207.277 1.188 20 0 BDADLO C[C@H](O)[C@H](C)SCCn1cc[nH+]c1 ZINC000230355671 363305034 /nfs/dbraw/zinc/30/50/34/363305034.db2.gz AOCIJVUFBZUHNU-IUCAKERBSA-N 1 2 200.307 1.386 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334564145 354082667 /nfs/dbraw/zinc/08/26/67/354082667.db2.gz SWGVYCVRPNDPGR-SNVBAGLBSA-N 1 2 212.272 1.232 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000334564145 354082670 /nfs/dbraw/zinc/08/26/70/354082670.db2.gz SWGVYCVRPNDPGR-SNVBAGLBSA-N 1 2 212.272 1.232 20 0 BDADLO CCC(CC)[N@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000344025619 354087359 /nfs/dbraw/zinc/08/73/59/354087359.db2.gz JDRUCIPVZOTFFS-UHFFFAOYSA-N 1 2 212.297 1.521 20 0 BDADLO CCC(CC)[N@@H+](CC)Cc1n[nH]c(=O)[nH]1 ZINC000344025619 354087363 /nfs/dbraw/zinc/08/73/63/354087363.db2.gz JDRUCIPVZOTFFS-UHFFFAOYSA-N 1 2 212.297 1.521 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC(F)(F)F ZINC000344212874 354165554 /nfs/dbraw/zinc/16/55/54/354165554.db2.gz SLMPCUPPQJXSJI-UHFFFAOYSA-N 1 2 221.182 1.021 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccccn1 ZINC000344169432 354170746 /nfs/dbraw/zinc/17/07/46/354170746.db2.gz GCBAUZMRVDQHAC-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000344114508 354141589 /nfs/dbraw/zinc/14/15/89/354141589.db2.gz LAZPOJGRBXKOLP-VIFPVBQESA-N 1 2 239.319 1.181 20 0 BDADLO Cc1nc(N[C@H](CCO)C(C)C)cc[nH+]1 ZINC000230915306 363328902 /nfs/dbraw/zinc/32/89/02/363328902.db2.gz HUZKKMIVSRRNLT-SNVBAGLBSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccccc2O)o1 ZINC000344153711 354156743 /nfs/dbraw/zinc/15/67/43/354156743.db2.gz RCIZUCFAXVCNDQ-UHFFFAOYSA-N 1 2 247.298 1.758 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccccc2O)o1 ZINC000344153711 354156747 /nfs/dbraw/zinc/15/67/47/354156747.db2.gz RCIZUCFAXVCNDQ-UHFFFAOYSA-N 1 2 247.298 1.758 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](CO)C[C@H]2C)s1 ZINC000344155154 354157068 /nfs/dbraw/zinc/15/70/68/354157068.db2.gz JZEPZIWERXSVQN-SCZZXKLOSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)s1 ZINC000344155154 354157070 /nfs/dbraw/zinc/15/70/70/354157070.db2.gz JZEPZIWERXSVQN-SCZZXKLOSA-N 1 2 241.360 1.439 20 0 BDADLO CC[NH+]1CCN(C(=O)[C@H](C)SC(C)C)CC1 ZINC000344194409 354180378 /nfs/dbraw/zinc/18/03/78/354180378.db2.gz NKEYQPPBALVBBC-NSHDSACASA-N 1 2 244.404 1.681 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000231347720 363341831 /nfs/dbraw/zinc/34/18/31/363341831.db2.gz FOORGLSVNJQESA-HTQZYQBOSA-N 1 2 203.307 1.033 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)C2)n(C)n1 ZINC000334594908 354226984 /nfs/dbraw/zinc/22/69/84/354226984.db2.gz ATHPBSUBPWVMSF-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)C2)n(C)n1 ZINC000334594908 354226988 /nfs/dbraw/zinc/22/69/88/354226988.db2.gz ATHPBSUBPWVMSF-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO O=C(Cc1ccoc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000334596539 354230232 /nfs/dbraw/zinc/23/02/32/354230232.db2.gz PHEAMANOARRHCP-NSHDSACASA-N 1 2 245.282 1.150 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n(C)n1 ZINC000334596660 354230798 /nfs/dbraw/zinc/23/07/98/354230798.db2.gz GOARWNJWFMMUGW-QWHCGFSZSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)n(C)n1 ZINC000334596660 354230799 /nfs/dbraw/zinc/23/07/99/354230799.db2.gz GOARWNJWFMMUGW-QWHCGFSZSA-N 1 2 235.331 1.482 20 0 BDADLO Cc1cn(C)nc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000334597581 354231905 /nfs/dbraw/zinc/23/19/05/354231905.db2.gz MHOPOWWPPXSKIS-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)c2[nH+]ccn21 ZINC000334611885 354294898 /nfs/dbraw/zinc/29/48/98/354294898.db2.gz SXPHYTRCEKWRSR-CBAPKCEASA-N 1 2 248.261 1.786 20 0 BDADLO O[C@@H]([C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000334621956 354359274 /nfs/dbraw/zinc/35/92/74/354359274.db2.gz VATUVPRAKPOGJD-SCZZXKLOSA-N 1 2 246.232 1.831 20 0 BDADLO Cc1cc(NC(=O)N2CC(CF)C2)c(C)c[nH+]1 ZINC000577998005 366166064 /nfs/dbraw/zinc/16/60/64/366166064.db2.gz OQVHOZXXCYQAIG-UHFFFAOYSA-N 1 2 237.278 1.554 20 0 BDADLO CC(C)(C[NH2+]Cc1cscn1)S(C)(=O)=O ZINC000086503050 491062193 /nfs/dbraw/zinc/06/21/93/491062193.db2.gz WFTVQESKVYFMLN-UHFFFAOYSA-N 1 2 248.373 1.056 20 0 BDADLO c1nc(CC[N@@H+]2CCOCC23CC3)cs1 ZINC000334623103 354361970 /nfs/dbraw/zinc/36/19/70/354361970.db2.gz FTSUADFQAIZXPW-UHFFFAOYSA-N 1 2 224.329 1.550 20 0 BDADLO c1nc(CC[N@H+]2CCOCC23CC3)cs1 ZINC000334623103 354361971 /nfs/dbraw/zinc/36/19/71/354361971.db2.gz FTSUADFQAIZXPW-UHFFFAOYSA-N 1 2 224.329 1.550 20 0 BDADLO CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000344790068 354369892 /nfs/dbraw/zinc/36/98/92/354369892.db2.gz FYJXVHFNPWJPRN-JTQLQIEISA-N 1 2 236.319 1.533 20 0 BDADLO COC[C@@H]([NH2+]Cc1cnc(C)cn1)c1ccco1 ZINC000344792772 354372684 /nfs/dbraw/zinc/37/26/84/354372684.db2.gz UFORMNQGHLKXDE-GFCCVEGCSA-N 1 2 247.298 1.855 20 0 BDADLO CC1(CO)C[NH+](Cc2cccc(O)c2Cl)C1 ZINC000334645065 354403809 /nfs/dbraw/zinc/40/38/09/354403809.db2.gz GOQHQOCTRFSNEA-UHFFFAOYSA-N 1 2 241.718 1.860 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cn2)[C@@H]1C ZINC000344977881 354405004 /nfs/dbraw/zinc/40/50/04/354405004.db2.gz DZCZPDLBWMBRKA-ZJUUUORDSA-N 1 2 235.287 1.173 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCc1ccccc1F ZINC000344980222 354405730 /nfs/dbraw/zinc/40/57/30/354405730.db2.gz HMZVUOAUCVSHPC-UHFFFAOYSA-N 1 2 249.293 1.024 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCc1ccccc1F ZINC000344980222 354405731 /nfs/dbraw/zinc/40/57/31/354405731.db2.gz HMZVUOAUCVSHPC-UHFFFAOYSA-N 1 2 249.293 1.024 20 0 BDADLO F[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000334648456 354439287 /nfs/dbraw/zinc/43/92/87/354439287.db2.gz YZLKPSYRJOKJJM-VIFPVBQESA-N 1 2 217.675 1.580 20 0 BDADLO F[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000334648456 354439290 /nfs/dbraw/zinc/43/92/90/354439290.db2.gz YZLKPSYRJOKJJM-VIFPVBQESA-N 1 2 217.675 1.580 20 0 BDADLO CCC1CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000334693943 354484621 /nfs/dbraw/zinc/48/46/21/354484621.db2.gz UBABIGNHETVJNK-UHFFFAOYSA-N 1 2 219.288 1.686 20 0 BDADLO CCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334696354 354487803 /nfs/dbraw/zinc/48/78/03/354487803.db2.gz NYEAHVMVJWMTMT-UHFFFAOYSA-N 1 2 207.277 1.958 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1[C@H](C)C[C@@H]1C ZINC000334699065 354491142 /nfs/dbraw/zinc/49/11/42/354491142.db2.gz GBSXFNNAWQXZQO-AOOOYVTPSA-N 1 2 249.314 1.783 20 0 BDADLO Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1C ZINC000334699791 354491922 /nfs/dbraw/zinc/49/19/22/354491922.db2.gz UFEXOMAAXKYVFR-TXEJJXNPSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1C ZINC000334699791 354491923 /nfs/dbraw/zinc/49/19/23/354491923.db2.gz UFEXOMAAXKYVFR-TXEJJXNPSA-N 1 2 221.304 1.092 20 0 BDADLO C[C@@H]1[C@@H](CO)CCCN1c1cccc[nH+]1 ZINC000334712418 354509835 /nfs/dbraw/zinc/50/98/35/354509835.db2.gz OLUTUZKPJLDNLY-GHMZBOCLSA-N 1 2 206.289 1.679 20 0 BDADLO CC1(C)C[N@H+](CCn2cc(Cl)cn2)CCO1 ZINC000334714429 354512619 /nfs/dbraw/zinc/51/26/19/354512619.db2.gz FLOLPDAMUQXFHM-UHFFFAOYSA-N 1 2 243.738 1.647 20 0 BDADLO CC1(C)C[N@@H+](CCn2cc(Cl)cn2)CCO1 ZINC000334714429 354512620 /nfs/dbraw/zinc/51/26/20/354512620.db2.gz FLOLPDAMUQXFHM-UHFFFAOYSA-N 1 2 243.738 1.647 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000074313296 354602466 /nfs/dbraw/zinc/60/24/66/354602466.db2.gz NSNAFTADHMFDCW-BDAKNGLRSA-N 1 2 225.292 1.321 20 0 BDADLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000074313296 354602471 /nfs/dbraw/zinc/60/24/71/354602471.db2.gz NSNAFTADHMFDCW-BDAKNGLRSA-N 1 2 225.292 1.321 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334814886 354573022 /nfs/dbraw/zinc/57/30/22/354573022.db2.gz IOVLFSUXRPVINQ-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334814886 354573025 /nfs/dbraw/zinc/57/30/25/354573025.db2.gz IOVLFSUXRPVINQ-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cccc(F)c2)c[nH+]1 ZINC000334765450 354586490 /nfs/dbraw/zinc/58/64/90/354586490.db2.gz YTQOHSYHJCXWFV-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639195575 354595846 /nfs/dbraw/zinc/59/58/46/354595846.db2.gz FTKSHMQWUQVGIM-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1ccns1 ZINC000639195575 354595847 /nfs/dbraw/zinc/59/58/47/354595847.db2.gz FTKSHMQWUQVGIM-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO CCN(CCOC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000345405400 354650618 /nfs/dbraw/zinc/65/06/18/354650618.db2.gz HXNLWHCTDWLWFI-UHFFFAOYSA-N 1 2 239.319 1.182 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000335107142 354692155 /nfs/dbraw/zinc/69/21/55/354692155.db2.gz FFQFSBOLTWUHDM-LURJTMIESA-N 1 2 217.219 1.849 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000335107142 354692157 /nfs/dbraw/zinc/69/21/57/354692157.db2.gz FFQFSBOLTWUHDM-LURJTMIESA-N 1 2 217.219 1.849 20 0 BDADLO CC(F)(F)C[NH2+]Cc1ccc(CO)cc1 ZINC000639208329 354709555 /nfs/dbraw/zinc/70/95/55/354709555.db2.gz RUTYKIXDNDVDGQ-UHFFFAOYSA-N 1 2 215.243 1.924 20 0 BDADLO C[C@H](C(=O)N[C@H](C)C(C)(F)F)[NH+]1CC(C)C1 ZINC000578082613 366230937 /nfs/dbraw/zinc/23/09/37/366230937.db2.gz VZVZUEWOIWZVPE-RKDXNWHRSA-N 1 2 234.290 1.487 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOC(C)(C)C ZINC000345746519 354750347 /nfs/dbraw/zinc/75/03/47/354750347.db2.gz VQXDEMANOSUFHJ-GDLVEWKHSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOC(C)(C)C ZINC000345746519 354750349 /nfs/dbraw/zinc/75/03/49/354750349.db2.gz VQXDEMANOSUFHJ-GDLVEWKHSA-N 1 2 247.404 1.643 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)n1 ZINC000335127185 354771943 /nfs/dbraw/zinc/77/19/43/354771943.db2.gz MENNQRUPDQECBZ-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)n1 ZINC000335127185 354771945 /nfs/dbraw/zinc/77/19/45/354771945.db2.gz MENNQRUPDQECBZ-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO C[C@H]1C[C@H](C[N@@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132921 354779340 /nfs/dbraw/zinc/77/93/40/354779340.db2.gz MHPWTXRKSSTOKC-WDEREUQCSA-N 1 2 249.301 1.769 20 0 BDADLO C[C@H]1C[C@H](C[N@H+]2CCOCC(F)(F)C2)CCO1 ZINC000335132921 354779347 /nfs/dbraw/zinc/77/93/47/354779347.db2.gz MHPWTXRKSSTOKC-WDEREUQCSA-N 1 2 249.301 1.769 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)C(C)(F)F)[NH+]1CC(C)C1 ZINC000578082610 366231572 /nfs/dbraw/zinc/23/15/72/366231572.db2.gz VZVZUEWOIWZVPE-BDAKNGLRSA-N 1 2 234.290 1.487 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccncc1 ZINC000346031120 354829766 /nfs/dbraw/zinc/82/97/66/354829766.db2.gz LZIDMXNKKASGFI-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1csc(COC)n1 ZINC000345878577 354795510 /nfs/dbraw/zinc/79/55/10/354795510.db2.gz DBPFTUYNTWXZLZ-SNVBAGLBSA-N 1 2 244.360 1.492 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1csc(COC)n1 ZINC000345878577 354795512 /nfs/dbraw/zinc/79/55/12/354795512.db2.gz DBPFTUYNTWXZLZ-SNVBAGLBSA-N 1 2 244.360 1.492 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCSC1)C1CC1 ZINC000234534298 363423729 /nfs/dbraw/zinc/42/37/29/363423729.db2.gz LDNOVAPVMXOHIU-IUCAKERBSA-N 1 2 215.318 1.033 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1CCC(F)(F)F ZINC000346357782 354890705 /nfs/dbraw/zinc/89/07/05/354890705.db2.gz BBQCSBSKCAVEKH-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1CCC(F)(F)F ZINC000346357782 354890707 /nfs/dbraw/zinc/89/07/07/354890707.db2.gz BBQCSBSKCAVEKH-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO Cc1occc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000335160361 354911257 /nfs/dbraw/zinc/91/12/57/354911257.db2.gz MSOKGCSZHJRDHC-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1occc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000335160361 354911258 /nfs/dbraw/zinc/91/12/58/354911258.db2.gz MSOKGCSZHJRDHC-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000335176809 354946010 /nfs/dbraw/zinc/94/60/10/354946010.db2.gz QJANYLWQBRHYHJ-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000335176809 354946016 /nfs/dbraw/zinc/94/60/16/354946016.db2.gz QJANYLWQBRHYHJ-MFKMUULPSA-N 1 2 239.290 1.407 20 0 BDADLO c1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000335177858 354948497 /nfs/dbraw/zinc/94/84/97/354948497.db2.gz RYQWMBMGQDQSNK-JGPRNRPPSA-N 1 2 215.300 1.986 20 0 BDADLO FC1=CCC[N@@H+](CCOCC(F)F)C1 ZINC000346600156 354989440 /nfs/dbraw/zinc/98/94/40/354989440.db2.gz GWTLEDMXWTUXRN-UHFFFAOYSA-N 1 2 209.211 1.827 20 0 BDADLO FC1=CCC[N@H+](CCOCC(F)F)C1 ZINC000346600156 354989443 /nfs/dbraw/zinc/98/94/43/354989443.db2.gz GWTLEDMXWTUXRN-UHFFFAOYSA-N 1 2 209.211 1.827 20 0 BDADLO c1cn(Cc2nc(-c3ccncc3)no2)c[nH+]1 ZINC000346616628 354993941 /nfs/dbraw/zinc/99/39/41/354993941.db2.gz BGZQUCFHKQKNIL-UHFFFAOYSA-N 1 2 227.227 1.376 20 0 BDADLO Cc1cnc(C[NH2+]C2(CF)CCOCC2)o1 ZINC000639225275 354998520 /nfs/dbraw/zinc/99/85/20/354998520.db2.gz ICGDYSQPMSFYBO-UHFFFAOYSA-N 1 2 228.267 1.591 20 0 BDADLO Cc1cc(N2CCC[C@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000346647681 355018079 /nfs/dbraw/zinc/01/80/79/355018079.db2.gz DMFRBUTUHUPXQV-NSHDSACASA-N 1 2 247.342 1.871 20 0 BDADLO CN(CCO)c1[nH+]c2ccc(F)cc2n1C ZINC000335231041 355074016 /nfs/dbraw/zinc/07/40/16/355074016.db2.gz SXSITWRJGKRDLZ-UHFFFAOYSA-N 1 2 223.251 1.141 20 0 BDADLO CCC1(C)CN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000335183864 355082393 /nfs/dbraw/zinc/08/23/93/355082393.db2.gz UWRFIIDYRCGMKG-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CS[C@@H](C)C2)c[nH+]1 ZINC000335218937 355057911 /nfs/dbraw/zinc/05/79/11/355057911.db2.gz HSLNWDNMILJCGL-POYBYMJQSA-N 1 2 225.317 1.342 20 0 BDADLO Cc1nc(N2CCC[C@](C)(O)C2)c(C)c(C)[nH+]1 ZINC000346702831 355093182 /nfs/dbraw/zinc/09/31/82/355093182.db2.gz UYTCSIPFJLORET-ZDUSSCGKSA-N 1 2 235.331 1.753 20 0 BDADLO COc1cc[nH+]cc1NC(=O)Cn1cc(C)cn1 ZINC000346703876 355094634 /nfs/dbraw/zinc/09/46/34/355094634.db2.gz FDPYUSSKUYTMSB-UHFFFAOYSA-N 1 2 246.270 1.234 20 0 BDADLO CN(C)c1noc([C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000346949964 355163626 /nfs/dbraw/zinc/16/36/26/355163626.db2.gz WPDNMQXLXYTJJI-VIFPVBQESA-N 1 2 222.292 1.435 20 0 BDADLO CN(C)c1noc([C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000346949964 355163628 /nfs/dbraw/zinc/16/36/28/355163628.db2.gz WPDNMQXLXYTJJI-VIFPVBQESA-N 1 2 222.292 1.435 20 0 BDADLO [NH3+][C@H](C(=O)NC1CCCCC1)c1cscn1 ZINC000335249936 355169598 /nfs/dbraw/zinc/16/95/98/355169598.db2.gz NDSNQFLUVOEWJI-JTQLQIEISA-N 1 2 239.344 1.592 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346971899 355208291 /nfs/dbraw/zinc/20/82/91/355208291.db2.gz BTLADVOIYMJWCW-LLVKDONJSA-N 1 2 220.272 1.392 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346971899 355208294 /nfs/dbraw/zinc/20/82/94/355208294.db2.gz BTLADVOIYMJWCW-LLVKDONJSA-N 1 2 220.272 1.392 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335243608 355180146 /nfs/dbraw/zinc/18/01/46/355180146.db2.gz HGWAPECLUKJFKR-DTWKUNHWSA-N 1 2 214.309 1.657 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335243608 355180149 /nfs/dbraw/zinc/18/01/49/355180149.db2.gz HGWAPECLUKJFKR-DTWKUNHWSA-N 1 2 214.309 1.657 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOC1CCC1 ZINC000347017702 355205767 /nfs/dbraw/zinc/20/57/67/355205767.db2.gz XXVFJCKBIIZQJC-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOC1CCC1 ZINC000347017702 355205768 /nfs/dbraw/zinc/20/57/68/355205768.db2.gz XXVFJCKBIIZQJC-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO CO[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413169430 191360315 /nfs/dbraw/zinc/36/03/15/191360315.db2.gz KUWPIBJHGYYPEZ-JTQLQIEISA-N 1 2 234.303 1.276 20 0 BDADLO CO[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413169430 191360318 /nfs/dbraw/zinc/36/03/18/191360318.db2.gz KUWPIBJHGYYPEZ-JTQLQIEISA-N 1 2 234.303 1.276 20 0 BDADLO C[C@H]1C[N@H+](CCSc2cccnn2)CCO1 ZINC000413002317 191335496 /nfs/dbraw/zinc/33/54/96/191335496.db2.gz RRRQYUYTDVFDDX-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1C[N@@H+](CCSc2cccnn2)CCO1 ZINC000413002317 191335498 /nfs/dbraw/zinc/33/54/98/191335498.db2.gz RRRQYUYTDVFDDX-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO COCCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413060172 191351383 /nfs/dbraw/zinc/35/13/83/191351383.db2.gz MSUKVDZKGHCFMC-UHFFFAOYSA-N 1 2 236.319 1.889 20 0 BDADLO COCCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413060172 191351385 /nfs/dbraw/zinc/35/13/85/191351385.db2.gz MSUKVDZKGHCFMC-UHFFFAOYSA-N 1 2 236.319 1.889 20 0 BDADLO CC[C@](C)(C[N@@H+](CC(F)F)C[C@H](C)O)OC ZINC000639235211 355217290 /nfs/dbraw/zinc/21/72/90/355217290.db2.gz QCNQZXRKXNPKPN-GXSJLCMTSA-N 1 2 239.306 1.749 20 0 BDADLO CC[C@](C)(C[N@H+](CC(F)F)C[C@H](C)O)OC ZINC000639235211 355217297 /nfs/dbraw/zinc/21/72/97/355217297.db2.gz QCNQZXRKXNPKPN-GXSJLCMTSA-N 1 2 239.306 1.749 20 0 BDADLO CCc1nc(N2CCO[C@@H](CF)C2)cc(C)[nH+]1 ZINC000413478023 191386458 /nfs/dbraw/zinc/38/64/58/191386458.db2.gz QVWORSIKYVDHSK-JTQLQIEISA-N 1 2 239.294 1.522 20 0 BDADLO COCC[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000413491004 191389352 /nfs/dbraw/zinc/38/93/52/191389352.db2.gz JOOZKZLERIBMEX-SECBINFHSA-N 1 2 249.318 1.448 20 0 BDADLO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)nc[nH+]1 ZINC000413531526 191392872 /nfs/dbraw/zinc/39/28/72/191392872.db2.gz LUXXPLZSAGIPOK-VWYCJHECSA-N 1 2 221.304 1.432 20 0 BDADLO CC[C@@H](CO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413241953 191364210 /nfs/dbraw/zinc/36/42/10/191364210.db2.gz HHWJDQZPHATHEF-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO CC[C@@H](CO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413241953 191364213 /nfs/dbraw/zinc/36/42/13/191364213.db2.gz HHWJDQZPHATHEF-QMMMGPOBSA-N 1 2 222.292 1.234 20 0 BDADLO OCCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413271878 191368338 /nfs/dbraw/zinc/36/83/38/191368338.db2.gz SWWSTAOSMQCVJK-UHFFFAOYSA-N 1 2 222.292 1.235 20 0 BDADLO OCCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413271878 191368340 /nfs/dbraw/zinc/36/83/40/191368340.db2.gz SWWSTAOSMQCVJK-UHFFFAOYSA-N 1 2 222.292 1.235 20 0 BDADLO Cc1nc(NC[C@H]2CCOC(C)(C)C2)cc[nH+]1 ZINC000413343089 191372111 /nfs/dbraw/zinc/37/21/11/191372111.db2.gz WIQUIWOGSHLJMW-NSHDSACASA-N 1 2 235.331 1.824 20 0 BDADLO Cc1n[nH]c(=NCCCC[N@@H+](C)C2CC2)s1 ZINC000413347581 191373340 /nfs/dbraw/zinc/37/33/40/191373340.db2.gz LNYNWFHIJYQNCX-UHFFFAOYSA-N 1 2 240.376 1.555 20 0 BDADLO Cc1n[nH]c(=NCCCC[N@H+](C)C2CC2)s1 ZINC000413347581 191373343 /nfs/dbraw/zinc/37/33/43/191373343.db2.gz LNYNWFHIJYQNCX-UHFFFAOYSA-N 1 2 240.376 1.555 20 0 BDADLO Cc1ccc(CCNc2ncc(Cl)cn2)[nH+]c1 ZINC000413351198 191373394 /nfs/dbraw/zinc/37/33/94/191373394.db2.gz LHNUZFHKVLOLQH-UHFFFAOYSA-N 1 2 248.717 1.910 20 0 BDADLO C[C@@H](O)[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000413457420 191381123 /nfs/dbraw/zinc/38/11/23/191381123.db2.gz VHRXFDGQHDQFQB-BXKDBHETSA-N 1 2 232.283 1.388 20 0 BDADLO Cc1cccc(C[NH+]2CC(C)(O)C2)c1F ZINC000639253529 355291355 /nfs/dbraw/zinc/29/13/55/355291355.db2.gz JBZRMEAPZHFBGG-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO CCOC1(C)C[NH+](Cc2c[nH]c3ncncc23)C1 ZINC000639263952 355319961 /nfs/dbraw/zinc/31/99/61/355319961.db2.gz IWJXCTSLESBZRA-UHFFFAOYSA-N 1 2 246.314 1.520 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)o1 ZINC000639247751 355276386 /nfs/dbraw/zinc/27/63/86/355276386.db2.gz YLMJYELQRVMWQG-WDEREUQCSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@@H]([N@H+](C)Cc1noc(C2CC2)n1)C(C)(C)O ZINC000394964482 355334427 /nfs/dbraw/zinc/33/44/27/355334427.db2.gz RNMLVPCMVFCGNN-MRVPVSSYSA-N 1 2 239.319 1.538 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1noc(C2CC2)n1)C(C)(C)O ZINC000394964482 355334430 /nfs/dbraw/zinc/33/44/30/355334430.db2.gz RNMLVPCMVFCGNN-MRVPVSSYSA-N 1 2 239.319 1.538 20 0 BDADLO CCNC(=O)C1C[NH+](Cc2cc(C)ns2)C1 ZINC000639251996 355285598 /nfs/dbraw/zinc/28/55/98/355285598.db2.gz ZVFAKBJIMISKGP-UHFFFAOYSA-N 1 2 239.344 1.019 20 0 BDADLO COCc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)o1 ZINC000623238408 355382271 /nfs/dbraw/zinc/38/22/71/355382271.db2.gz FHCONWIKVAWCLL-UHFFFAOYSA-N 1 2 247.298 1.707 20 0 BDADLO COCc1ccc(C[N@H+]2CCc3n[nH]cc3C2)o1 ZINC000623238408 355382272 /nfs/dbraw/zinc/38/22/72/355382272.db2.gz FHCONWIKVAWCLL-UHFFFAOYSA-N 1 2 247.298 1.707 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)sn1 ZINC000639275713 355352317 /nfs/dbraw/zinc/35/23/17/355352317.db2.gz WGPJLXLNPZBZEC-KOLCDFICSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)sn1 ZINC000639275713 355352322 /nfs/dbraw/zinc/35/23/22/355352322.db2.gz WGPJLXLNPZBZEC-KOLCDFICSA-N 1 2 242.344 1.033 20 0 BDADLO CO[C@@]1(C[N@@H+]2CCCC(F)(F)C2)CCOC1 ZINC000639288838 355404015 /nfs/dbraw/zinc/40/40/15/355404015.db2.gz LQWXYVHSJFYPBA-SNVBAGLBSA-N 1 2 235.274 1.523 20 0 BDADLO CO[C@@]1(C[N@H+]2CCCC(F)(F)C2)CCOC1 ZINC000639288838 355404016 /nfs/dbraw/zinc/40/40/16/355404016.db2.gz LQWXYVHSJFYPBA-SNVBAGLBSA-N 1 2 235.274 1.523 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[C@@H]1C ZINC000349680913 355410007 /nfs/dbraw/zinc/41/00/07/355410007.db2.gz SGUWBJIYUYLDHY-AXFHLTTASA-N 1 2 236.319 1.369 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCOCCC(C)C ZINC000349744453 355421336 /nfs/dbraw/zinc/42/13/36/355421336.db2.gz MSQKKBIKIIFDHP-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCOCCC(C)C ZINC000349744453 355421338 /nfs/dbraw/zinc/42/13/38/355421338.db2.gz MSQKKBIKIIFDHP-LBPRGKRZSA-N 1 2 242.363 1.260 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335786157 355436390 /nfs/dbraw/zinc/43/63/90/355436390.db2.gz FHBUNDIQIZEBLF-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335786157 355436392 /nfs/dbraw/zinc/43/63/92/355436392.db2.gz FHBUNDIQIZEBLF-LBPRGKRZSA-N 1 2 237.347 1.667 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335795349 355451065 /nfs/dbraw/zinc/45/10/65/355451065.db2.gz KXPFCKJTIDLFHR-WDEREUQCSA-N 1 2 235.331 1.702 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H](C2CC2)O1 ZINC000335807460 355479725 /nfs/dbraw/zinc/47/97/25/355479725.db2.gz LNYRNYDDULBELM-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H](C2CC2)O1 ZINC000335807460 355479729 /nfs/dbraw/zinc/47/97/29/355479729.db2.gz LNYRNYDDULBELM-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C2CC2)O1 ZINC000335807460 355479735 /nfs/dbraw/zinc/47/97/35/355479735.db2.gz LNYRNYDDULBELM-ZWNOBZJWSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)CCn1cc[nH+]c1 ZINC000335823692 355545524 /nfs/dbraw/zinc/54/55/24/355545524.db2.gz BMGRNZMOXZWWLU-GHMZBOCLSA-N 1 2 221.304 1.673 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000335824449 355546109 /nfs/dbraw/zinc/54/61/09/355546109.db2.gz FGWGMEZBTYWTBB-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000335824449 355546114 /nfs/dbraw/zinc/54/61/14/355546114.db2.gz FGWGMEZBTYWTBB-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC(C)(C)C1 ZINC000349860107 355506812 /nfs/dbraw/zinc/50/68/12/355506812.db2.gz DLCMZGWQZTWZGX-JTQLQIEISA-N 1 2 235.331 1.824 20 0 BDADLO C[NH2+]Cc1noc([C@@H](C)c2ccc(OC)cc2)n1 ZINC000349872622 355513946 /nfs/dbraw/zinc/51/39/46/355513946.db2.gz CORUXQOLYABPRS-VIFPVBQESA-N 1 2 247.298 1.949 20 0 BDADLO CC(C)OCC[C@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000349886412 355518540 /nfs/dbraw/zinc/51/85/40/355518540.db2.gz WTKZNFQBKVUJHV-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OCC[C@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000349886412 355518542 /nfs/dbraw/zinc/51/85/42/355518542.db2.gz WTKZNFQBKVUJHV-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO C[NH2+]Cc1noc(COc2ccc(F)cc2)n1 ZINC000349899947 355522467 /nfs/dbraw/zinc/52/24/67/355522467.db2.gz XDSKFVSFIFNIQC-UHFFFAOYSA-N 1 2 237.234 1.507 20 0 BDADLO C[NH2+]Cc1noc([C@@H](C)c2cccc(OC)c2)n1 ZINC000349919664 355527988 /nfs/dbraw/zinc/52/79/88/355527988.db2.gz HWYHXPFRHIDFNR-VIFPVBQESA-N 1 2 247.298 1.949 20 0 BDADLO FC1(F)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000335847601 355591431 /nfs/dbraw/zinc/59/14/31/355591431.db2.gz ROACTEACDRGJHG-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO FC1(F)CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000335847601 355591434 /nfs/dbraw/zinc/59/14/34/355591434.db2.gz ROACTEACDRGJHG-VIFPVBQESA-N 1 2 205.248 1.897 20 0 BDADLO c1cc2cc(NCCC[C@@H]3CCO3)[nH+]cc2[nH]1 ZINC000639296607 355595686 /nfs/dbraw/zinc/59/56/86/355595686.db2.gz NYVBXTXUMWXJEQ-LLVKDONJSA-N 1 2 231.299 1.966 20 0 BDADLO CC(C)[N@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000350098488 355598005 /nfs/dbraw/zinc/59/80/05/355598005.db2.gz LGSSVLIBTXGHJU-UHFFFAOYSA-N 1 2 230.695 1.629 20 0 BDADLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Cl)o1 ZINC000350098488 355598008 /nfs/dbraw/zinc/59/80/08/355598008.db2.gz LGSSVLIBTXGHJU-UHFFFAOYSA-N 1 2 230.695 1.629 20 0 BDADLO O[C@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC12CC2 ZINC000335858798 355603733 /nfs/dbraw/zinc/60/37/33/355603733.db2.gz NKDDUMFULNDVHR-NSHDSACASA-N 1 2 234.299 1.509 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC12CC2 ZINC000335858798 355603738 /nfs/dbraw/zinc/60/37/38/355603738.db2.gz NKDDUMFULNDVHR-NSHDSACASA-N 1 2 234.299 1.509 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](F)C2)c[nH]1 ZINC000582186115 355660997 /nfs/dbraw/zinc/66/09/97/355660997.db2.gz NGKSFFNQQRSMBH-SNVBAGLBSA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CCC[C@@H](F)C2)c[nH]1 ZINC000582186115 355661000 /nfs/dbraw/zinc/66/10/00/355661000.db2.gz NGKSFFNQQRSMBH-SNVBAGLBSA-N 1 2 240.278 1.735 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)o1 ZINC000639310262 355666214 /nfs/dbraw/zinc/66/62/14/355666214.db2.gz PJLRPTGBSXKARL-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccc(=O)[nH]c2)o1 ZINC000639310262 355666217 /nfs/dbraw/zinc/66/62/17/355666217.db2.gz PJLRPTGBSXKARL-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO O[C@@H]1CC[N@H+](CCC[C@@H]2CCO2)CC1(F)F ZINC000639310140 355666448 /nfs/dbraw/zinc/66/64/48/355666448.db2.gz OIUPCMVIYIXEIW-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@@H]1CC[N@@H+](CCC[C@@H]2CCO2)CC1(F)F ZINC000639310140 355666452 /nfs/dbraw/zinc/66/64/52/355666452.db2.gz OIUPCMVIYIXEIW-NXEZZACHSA-N 1 2 235.274 1.257 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000335861706 355624756 /nfs/dbraw/zinc/62/47/56/355624756.db2.gz WRDYGZUWIYKIHE-VIFPVBQESA-N 1 2 222.292 1.228 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@H]1C(N)=O ZINC000335861706 355624758 /nfs/dbraw/zinc/62/47/58/355624758.db2.gz WRDYGZUWIYKIHE-VIFPVBQESA-N 1 2 222.292 1.228 20 0 BDADLO COc1ccsc1C[NH+]1CCN(C)CC1 ZINC000335864514 355628623 /nfs/dbraw/zinc/62/86/23/355628623.db2.gz FCNOJCLTFFVVFH-UHFFFAOYSA-N 1 2 226.345 1.504 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CCn2nncc2C1 ZINC000582189507 355693697 /nfs/dbraw/zinc/69/36/97/355693697.db2.gz RWHIFXXICOGSQM-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC[C@H]2CCC[C@@H]21 ZINC000335882677 355672721 /nfs/dbraw/zinc/67/27/21/355672721.db2.gz SOBCBABTYFCNOH-NEPJUHHUSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1[nH]ccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000335883756 355674413 /nfs/dbraw/zinc/67/44/13/355674413.db2.gz MBOYDOSLHXFGPN-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000639311481 355683145 /nfs/dbraw/zinc/68/31/45/355683145.db2.gz ZZLSWKZWNFAUMK-KOLCDFICSA-N 1 2 241.335 1.871 20 0 BDADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000639311481 355683150 /nfs/dbraw/zinc/68/31/50/355683150.db2.gz ZZLSWKZWNFAUMK-KOLCDFICSA-N 1 2 241.335 1.871 20 0 BDADLO Cc1ccc(CN(C)S(C)(=O)=O)c(C)[nH+]1 ZINC000335894495 355688289 /nfs/dbraw/zinc/68/82/89/355688289.db2.gz KCDCFZBSOQJTIE-UHFFFAOYSA-N 1 2 228.317 1.090 20 0 BDADLO CC(C)CC(=O)NCCCn1cc[nH+]c1 ZINC000005384135 355767562 /nfs/dbraw/zinc/76/75/62/355767562.db2.gz SSWSHHBEILLSOX-UHFFFAOYSA-N 1 2 209.293 1.436 20 0 BDADLO CN1CC[N@H+](C/C=C\c2ccccc2)[C@H](CO)C1 ZINC000639336424 355771288 /nfs/dbraw/zinc/77/12/88/355771288.db2.gz IUJUHVHGKSFOAK-KKTNHOPESA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C\c2ccccc2)[C@H](CO)C1 ZINC000639336424 355771291 /nfs/dbraw/zinc/77/12/91/355771291.db2.gz IUJUHVHGKSFOAK-KKTNHOPESA-N 1 2 246.354 1.308 20 0 BDADLO CC1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000334364730 535289317 /nfs/dbraw/zinc/28/93/17/535289317.db2.gz NKDYCLRIUQNTLD-UHFFFAOYSA-N 1 2 246.301 1.442 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000639322702 355724515 /nfs/dbraw/zinc/72/45/15/355724515.db2.gz WFCASIFLLBYENB-LLVKDONJSA-N 1 2 226.324 1.062 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000639322702 355724519 /nfs/dbraw/zinc/72/45/19/355724519.db2.gz WFCASIFLLBYENB-LLVKDONJSA-N 1 2 226.324 1.062 20 0 BDADLO COc1cc(C[NH2+]Cc2cnc(C)nc2)on1 ZINC000639325532 355728407 /nfs/dbraw/zinc/72/84/07/355728407.db2.gz RJRZGGYNJGIKBV-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000336019434 134054211 /nfs/dbraw/zinc/05/42/11/134054211.db2.gz DGMAOFIDRXERTP-SCZZXKLOSA-N 1 2 222.292 1.018 20 0 BDADLO c1cc(C[N@H+]2CCCc3n[nH]cc3C2)sn1 ZINC000639340995 355782728 /nfs/dbraw/zinc/78/27/28/355782728.db2.gz SIRZXMQATNNJCJ-UHFFFAOYSA-N 1 2 234.328 1.815 20 0 BDADLO C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000608491405 355813554 /nfs/dbraw/zinc/81/35/54/355813554.db2.gz ZWPHZLMKNWAFCG-AWEZNQCLSA-N 1 2 238.375 1.583 20 0 BDADLO COC1CC(Nc2c[nH+]cc(N(C)C)c2)C1 ZINC000639366256 355842455 /nfs/dbraw/zinc/84/24/55/355842455.db2.gz UWYARYMOYWHSHL-UHFFFAOYSA-N 1 2 221.304 1.737 20 0 BDADLO COC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH]nn1 ZINC000628363073 355846461 /nfs/dbraw/zinc/84/64/61/355846461.db2.gz TWZSTGOYLKBEPW-GFCCVEGCSA-N 1 2 246.314 1.152 20 0 BDADLO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cn[nH]n1 ZINC000628363073 355846464 /nfs/dbraw/zinc/84/64/64/355846464.db2.gz TWZSTGOYLKBEPW-GFCCVEGCSA-N 1 2 246.314 1.152 20 0 BDADLO C[C@@H]1C[NH+](Cc2nncn2C)C[C@@H](C)S1 ZINC000608565802 355861849 /nfs/dbraw/zinc/86/18/49/355861849.db2.gz JETZUYCRYXSJMO-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H](Cn1cccn1)Nc1c[nH+]cc(N(C)C)c1 ZINC000639364008 355831474 /nfs/dbraw/zinc/83/14/74/355831474.db2.gz FXSDBLUUZNDYOD-NSHDSACASA-N 1 2 245.330 1.845 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)NCc1[nH+]ccn1C ZINC000336054771 134066105 /nfs/dbraw/zinc/06/61/05/134066105.db2.gz SWFNNUPYONORBY-IUCAKERBSA-N 1 2 222.292 1.112 20 0 BDADLO Cc1ccc2nc(C[NH2+]C3(C)COC3)cn2c1 ZINC000639380178 355916480 /nfs/dbraw/zinc/91/64/80/355916480.db2.gz BFMCNLKKRHQGQQ-UHFFFAOYSA-N 1 2 231.299 1.521 20 0 BDADLO Cc1ccc2[nH+]c(CNC3(C)COC3)cn2c1 ZINC000639380178 355916482 /nfs/dbraw/zinc/91/64/82/355916482.db2.gz BFMCNLKKRHQGQQ-UHFFFAOYSA-N 1 2 231.299 1.521 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2cc(C)n(C)n2)C1 ZINC000639382884 355930664 /nfs/dbraw/zinc/93/06/64/355930664.db2.gz KKXFUSPNVDGNNN-UHFFFAOYSA-N 1 2 249.358 1.587 20 0 BDADLO CCn1ncnc1C[NH+]1CCC(CCF)CC1 ZINC000639376716 355900592 /nfs/dbraw/zinc/90/05/92/355900592.db2.gz WFGCMEBXSWWQEF-UHFFFAOYSA-N 1 2 240.326 1.870 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)o1 ZINC000639388300 356006066 /nfs/dbraw/zinc/00/60/66/356006066.db2.gz XCXBSSPDIKLUEM-POYBYMJQSA-N 1 2 238.209 1.384 20 0 BDADLO COC(=O)[C@H]([NH2+]CCc1cncs1)C(C)C ZINC000582227752 355991373 /nfs/dbraw/zinc/99/13/73/355991373.db2.gz WMXHRCUTFWXVKF-SNVBAGLBSA-N 1 2 242.344 1.473 20 0 BDADLO CCC[N@H+](C)Cc1noc(CCOC)n1 ZINC000351441827 355992573 /nfs/dbraw/zinc/99/25/73/355992573.db2.gz KGXPIUGADTWTEA-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCC[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351441827 355992574 /nfs/dbraw/zinc/99/25/74/355992574.db2.gz KGXPIUGADTWTEA-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO Cc1nc([C@@H](C)[N@H+](C)C[C@H]2CCCOC2)no1 ZINC000351487292 355998327 /nfs/dbraw/zinc/99/83/27/355998327.db2.gz CDNGAMHRRPWXPC-MWLCHTKSSA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+](C)C[C@H]2CCCOC2)no1 ZINC000351487292 355998330 /nfs/dbraw/zinc/99/83/30/355998330.db2.gz CDNGAMHRRPWXPC-MWLCHTKSSA-N 1 2 239.319 1.797 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351106622 355949475 /nfs/dbraw/zinc/94/94/75/355949475.db2.gz XMQVZPZKBGCBLF-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351106622 355949476 /nfs/dbraw/zinc/94/94/76/355949476.db2.gz XMQVZPZKBGCBLF-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623256465 355959228 /nfs/dbraw/zinc/95/92/28/355959228.db2.gz MFIWYYJHLYOIJL-BLFANLJRSA-N 1 2 245.326 1.360 20 0 BDADLO COCCc1nc(C[N@@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000351521154 356007892 /nfs/dbraw/zinc/00/78/92/356007892.db2.gz UHBMWDQNEKBFII-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000351521154 356007894 /nfs/dbraw/zinc/00/78/94/356007894.db2.gz UHBMWDQNEKBFII-ZJUUUORDSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000351286693 355973222 /nfs/dbraw/zinc/97/32/22/355973222.db2.gz GWGQMVKMLPPBEV-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO COCCc1nc(C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000351286693 355973226 /nfs/dbraw/zinc/97/32/26/355973226.db2.gz GWGQMVKMLPPBEV-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCOCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000351665978 356049339 /nfs/dbraw/zinc/04/93/39/356049339.db2.gz QOPYVRKRLFIQPP-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO C/C=C\C[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000351547922 356013927 /nfs/dbraw/zinc/01/39/27/356013927.db2.gz NBTWTFMEDYGNSV-OTDNITJGSA-N 1 2 243.310 1.791 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257730 356027476 /nfs/dbraw/zinc/02/74/76/356027476.db2.gz SFNHIVZWKMFBGW-WZRBSPASSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(CCCC1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257786 356028507 /nfs/dbraw/zinc/02/85/07/356028507.db2.gz UYWSUGDXZNOYFJ-LLVKDONJSA-N 1 2 233.315 1.504 20 0 BDADLO c1cn2c([nH+]1)CN(Cc1cscn1)CC2 ZINC000335910334 356113497 /nfs/dbraw/zinc/11/34/97/356113497.db2.gz PDKTVPWCMKSRCE-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO CCC(C)(C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000617567957 356122922 /nfs/dbraw/zinc/12/29/22/356122922.db2.gz SLSBXALOGLPZRL-SNVBAGLBSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1coc(C)c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623259264 356081894 /nfs/dbraw/zinc/08/18/94/356081894.db2.gz WXGWQUVPXXBJTK-SNVBAGLBSA-N 1 2 245.282 1.448 20 0 BDADLO Cc1ncsc1C[N@H+]1CCN(C)C[C@H]1C ZINC000335917047 356159816 /nfs/dbraw/zinc/15/98/16/356159816.db2.gz DYQASCBPCUOAIJ-SECBINFHSA-N 1 2 225.361 1.587 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCN(C)C[C@H]1C ZINC000335917047 356159820 /nfs/dbraw/zinc/15/98/20/356159820.db2.gz DYQASCBPCUOAIJ-SECBINFHSA-N 1 2 225.361 1.587 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC12CCC2 ZINC000336092706 134079300 /nfs/dbraw/zinc/07/93/00/134079300.db2.gz FCMJMZPJFSIFDT-UHFFFAOYSA-N 1 2 206.293 1.426 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC12CCC2 ZINC000336092706 134079301 /nfs/dbraw/zinc/07/93/01/134079301.db2.gz FCMJMZPJFSIFDT-UHFFFAOYSA-N 1 2 206.293 1.426 20 0 BDADLO NC(=O)N1CCC[C@@H](CNc2cccc[nH+]2)C1 ZINC000288499404 181251551 /nfs/dbraw/zinc/25/15/51/181251551.db2.gz MJNYQVYVIDBZRJ-JTQLQIEISA-N 1 2 234.303 1.284 20 0 BDADLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)co1 ZINC000623261144 356148287 /nfs/dbraw/zinc/14/82/87/356148287.db2.gz AKHNDRSFIDWDBO-JTQLQIEISA-N 1 2 231.255 1.139 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261173 356148458 /nfs/dbraw/zinc/14/84/58/356148458.db2.gz BXXMZTJXVBVUDK-JTQLQIEISA-N 1 2 235.331 1.606 20 0 BDADLO CC[C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000617634903 356218547 /nfs/dbraw/zinc/21/85/47/356218547.db2.gz DAKPDVUMDIVNPM-NSHDSACASA-N 1 2 223.320 1.826 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000617635510 356224065 /nfs/dbraw/zinc/22/40/65/356224065.db2.gz QZJKYDJBROBJPL-RYUDHWBXSA-N 1 2 249.358 1.998 20 0 BDADLO Cc1cc(C)c(C[N@@H+](C)CC(=O)N(C)C)c(C)n1 ZINC000639445016 356224184 /nfs/dbraw/zinc/22/41/84/356224184.db2.gz KEZXHWTXRUJIJV-UHFFFAOYSA-N 1 2 249.358 1.527 20 0 BDADLO Cc1cc(C)c(C[N@H+](C)CC(=O)N(C)C)c(C)n1 ZINC000639445016 356224188 /nfs/dbraw/zinc/22/41/88/356224188.db2.gz KEZXHWTXRUJIJV-UHFFFAOYSA-N 1 2 249.358 1.527 20 0 BDADLO CC[C@@H](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000617636756 356229493 /nfs/dbraw/zinc/22/94/93/356229493.db2.gz HVWYXQZZOHDDQI-MRVPVSSYSA-N 1 2 209.293 1.884 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264960 356231116 /nfs/dbraw/zinc/23/11/16/356231116.db2.gz XUQDHAKUNPHJCP-UTUOFQBUSA-N 1 2 247.342 1.750 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[S@]1=O ZINC000351913727 356197432 /nfs/dbraw/zinc/19/74/32/356197432.db2.gz VFOCREKFOQRZKV-JRPNMDOOSA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[S@]1=O ZINC000351913727 356197435 /nfs/dbraw/zinc/19/74/35/356197435.db2.gz VFOCREKFOQRZKV-JRPNMDOOSA-N 1 2 231.361 1.008 20 0 BDADLO CCn1c[nH+]cc1[C@@H]1NC(C)(C)C(=O)N1CC ZINC000333238499 356270776 /nfs/dbraw/zinc/27/07/76/356270776.db2.gz ZNGBLGNYCFMLNO-SNVBAGLBSA-N 1 2 236.319 1.132 20 0 BDADLO O=C(C[NH+]1CCSCC1)Nc1ccccn1 ZINC000639453516 356237908 /nfs/dbraw/zinc/23/79/08/356237908.db2.gz MTVKYYFFLIDDRP-UHFFFAOYSA-N 1 2 237.328 1.069 20 0 BDADLO O=C(CC1=CCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267497 356325729 /nfs/dbraw/zinc/32/57/29/356325729.db2.gz TTZOFGLMSKBZOK-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(N)=O)c1cccc(F)c1 ZINC000336125522 134092527 /nfs/dbraw/zinc/09/25/27/134092527.db2.gz KQXSBBDQNZSCNX-SNVBAGLBSA-N 1 2 248.261 1.317 20 0 BDADLO CC(C)(C)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265385 356293552 /nfs/dbraw/zinc/29/35/52/356293552.db2.gz DXDPQHKFLUPGDL-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639500798 356327785 /nfs/dbraw/zinc/32/77/85/356327785.db2.gz VDIMJLKNVJYYMA-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639500798 356327788 /nfs/dbraw/zinc/32/77/88/356327788.db2.gz VDIMJLKNVJYYMA-QMMMGPOBSA-N 1 2 225.292 1.150 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617738627 356303830 /nfs/dbraw/zinc/30/38/30/356303830.db2.gz RINJSVNBLUTDGX-QJPTWQEYSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617738627 356303833 /nfs/dbraw/zinc/30/38/33/356303833.db2.gz RINJSVNBLUTDGX-QJPTWQEYSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000623267155 356319098 /nfs/dbraw/zinc/31/90/98/356319098.db2.gz LMGIBCDERJFPEO-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC23CCC3)[nH]1 ZINC000336310744 356334997 /nfs/dbraw/zinc/33/49/97/356334997.db2.gz XQYAWAPHXOVNRZ-UHFFFAOYSA-N 1 2 206.293 1.496 20 0 BDADLO CCc1nnc(C[N@H+]2CCC23CCC3)[nH]1 ZINC000336310744 356334999 /nfs/dbraw/zinc/33/49/99/356334999.db2.gz XQYAWAPHXOVNRZ-UHFFFAOYSA-N 1 2 206.293 1.496 20 0 BDADLO CC(C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336451252 356373365 /nfs/dbraw/zinc/37/33/65/356373365.db2.gz NAPBOSCATHXKDX-NSHDSACASA-N 1 2 235.331 1.560 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCc2cnccn2)no1 ZINC000639530086 356379157 /nfs/dbraw/zinc/37/91/57/356379157.db2.gz PBZSZCAAGNYYEC-UHFFFAOYSA-N 1 2 247.302 1.235 20 0 BDADLO CCCCO[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000068500284 324879052 /nfs/dbraw/zinc/87/90/52/324879052.db2.gz RSPJTTUYNDFGBM-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO Cc1occc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278778 356427115 /nfs/dbraw/zinc/42/71/15/356427115.db2.gz CQQFKHJYXTVTRM-VIFPVBQESA-N 1 2 231.255 1.139 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cnc[nH]1 ZINC000362618613 181273749 /nfs/dbraw/zinc/27/37/49/181273749.db2.gz ZBPLLEJNSUUFCW-USWWRNFRSA-N 1 2 248.330 1.028 20 0 BDADLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cnc[nH]1 ZINC000362618613 181273752 /nfs/dbraw/zinc/27/37/52/181273752.db2.gz ZBPLLEJNSUUFCW-USWWRNFRSA-N 1 2 248.330 1.028 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000336159159 134107227 /nfs/dbraw/zinc/10/72/27/134107227.db2.gz MWPHPWNBNRYRMU-GFCCVEGCSA-N 1 2 243.253 1.438 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000336159159 134107228 /nfs/dbraw/zinc/10/72/28/134107228.db2.gz MWPHPWNBNRYRMU-GFCCVEGCSA-N 1 2 243.253 1.438 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C3CCC3)no2)C[C@H]1O ZINC000639557436 356461972 /nfs/dbraw/zinc/46/19/72/356461972.db2.gz GPCNUNRHFFDAJM-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C3CCC3)no2)C[C@H]1O ZINC000639557436 356461976 /nfs/dbraw/zinc/46/19/76/356461976.db2.gz GPCNUNRHFFDAJM-WCBMZHEXSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CCC3)no2)C[C@H]1O ZINC000639557433 356462499 /nfs/dbraw/zinc/46/24/99/356462499.db2.gz GPCNUNRHFFDAJM-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CCC3)no2)C[C@H]1O ZINC000639557433 356462501 /nfs/dbraw/zinc/46/25/01/356462501.db2.gz GPCNUNRHFFDAJM-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO COC(=O)C1([NH2+]C[C@@H](C)O)CCCCCC1 ZINC000192774345 356436814 /nfs/dbraw/zinc/43/68/14/356436814.db2.gz FNDIXSGDAVROOJ-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336152487 134104922 /nfs/dbraw/zinc/10/49/22/134104922.db2.gz YXDUXOQYGSFJTO-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO Cc1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000020544987 356489665 /nfs/dbraw/zinc/48/96/65/356489665.db2.gz JHKKUAPKSOUDQE-LLVKDONJSA-N 1 2 215.256 1.765 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623281842 356466697 /nfs/dbraw/zinc/46/66/97/356466697.db2.gz DXQMQJRBZMOVJT-LBPRGKRZSA-N 1 2 241.294 1.546 20 0 BDADLO Cc1cc(N2CCC[C@@H](CCO)CC2)nc[nH+]1 ZINC000420642049 192254412 /nfs/dbraw/zinc/25/44/12/192254412.db2.gz OIPXAXDPHBMQAB-GFCCVEGCSA-N 1 2 235.331 1.774 20 0 BDADLO Cc1nc(NCCCC2(O)CCC2)cc[nH+]1 ZINC000420647969 192255717 /nfs/dbraw/zinc/25/57/17/192255717.db2.gz ZQJFTYSQOFXBRW-UHFFFAOYSA-N 1 2 221.304 1.314 20 0 BDADLO CC[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000420657940 192256673 /nfs/dbraw/zinc/25/66/73/192256673.db2.gz XOSHCUSNZJACLV-MRVPVSSYSA-N 1 2 223.324 1.126 20 0 BDADLO CC[C@@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000420657940 192256675 /nfs/dbraw/zinc/25/66/75/192256675.db2.gz XOSHCUSNZJACLV-MRVPVSSYSA-N 1 2 223.324 1.126 20 0 BDADLO CC[C@@H](C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000420822106 192262963 /nfs/dbraw/zinc/26/29/63/192262963.db2.gz NWDKPRRFVXOTIZ-MNOVXSKESA-N 1 2 238.335 1.617 20 0 BDADLO CC[C@@H]1C[NH+](Cc2cnnn2C)C[C@@H](CC)O1 ZINC000420957211 192278980 /nfs/dbraw/zinc/27/89/80/192278980.db2.gz ODWXBVHCQSLJAW-VXGBXAGGSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@H]1C[NH+](Cc2cnnn2C)C[C@H](CC)O1 ZINC000420957209 192279679 /nfs/dbraw/zinc/27/96/79/192279679.db2.gz ODWXBVHCQSLJAW-RYUDHWBXSA-N 1 2 238.335 1.205 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000639606955 356527309 /nfs/dbraw/zinc/52/73/09/356527309.db2.gz OLGPQMBTKVIYGB-LPEHRKFASA-N 1 2 246.301 1.618 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000639606955 356527314 /nfs/dbraw/zinc/52/73/14/356527314.db2.gz OLGPQMBTKVIYGB-LPEHRKFASA-N 1 2 246.301 1.618 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000639606954 356527554 /nfs/dbraw/zinc/52/75/54/356527554.db2.gz OLGPQMBTKVIYGB-IVZWLZJFSA-N 1 2 246.301 1.618 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000639606954 356527555 /nfs/dbraw/zinc/52/75/55/356527555.db2.gz OLGPQMBTKVIYGB-IVZWLZJFSA-N 1 2 246.301 1.618 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420941384 192288152 /nfs/dbraw/zinc/28/81/52/192288152.db2.gz FONMLZUJELYJGV-MRVPVSSYSA-N 1 2 239.237 1.824 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420941384 192288153 /nfs/dbraw/zinc/28/81/53/192288153.db2.gz FONMLZUJELYJGV-MRVPVSSYSA-N 1 2 239.237 1.824 20 0 BDADLO C[C@@H]1C[C@H]1c1noc(Cc2c[nH+]cn2C)n1 ZINC000350402506 366276112 /nfs/dbraw/zinc/27/61/12/366276112.db2.gz GCIXXVCCQPHRIG-VXNVDRBHSA-N 1 2 218.260 1.517 20 0 BDADLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)o1 ZINC000623295833 356542521 /nfs/dbraw/zinc/54/25/21/356542521.db2.gz UXIQRHOLYNXZFY-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000639632531 356546696 /nfs/dbraw/zinc/54/66/96/356546696.db2.gz YOUZWOHUDCWSNG-IUCAKERBSA-N 1 2 239.237 1.211 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000639632531 356546701 /nfs/dbraw/zinc/54/67/01/356546701.db2.gz YOUZWOHUDCWSNG-IUCAKERBSA-N 1 2 239.237 1.211 20 0 BDADLO CC1(C)C[N@H+](Cc2csnn2)[C@@H]2COC[C@@H]21 ZINC000449784467 202034364 /nfs/dbraw/zinc/03/43/64/202034364.db2.gz XEXGMNXWGGWLHZ-VHSXEESVSA-N 1 2 239.344 1.395 20 0 BDADLO CC1(C)C[N@@H+](Cc2csnn2)[C@@H]2COC[C@@H]21 ZINC000449784467 202034367 /nfs/dbraw/zinc/03/43/67/202034367.db2.gz XEXGMNXWGGWLHZ-VHSXEESVSA-N 1 2 239.344 1.395 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623298187 356551396 /nfs/dbraw/zinc/55/13/96/356551396.db2.gz XRSUMMSOCSHLHY-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@@]23CCOC3)c(C)n1 ZINC000421024163 192306360 /nfs/dbraw/zinc/30/63/60/192306360.db2.gz ROUXHIQVPKHYSI-ZDUSSCGKSA-N 1 2 249.314 1.158 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@@]23CCOC3)c(C)n1 ZINC000421024163 192306363 /nfs/dbraw/zinc/30/63/63/192306363.db2.gz ROUXHIQVPKHYSI-ZDUSSCGKSA-N 1 2 249.314 1.158 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421041776 192310634 /nfs/dbraw/zinc/31/06/34/192310634.db2.gz YRDRDFFQULCNDD-WCQYABFASA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421041776 192310637 /nfs/dbraw/zinc/31/06/37/192310637.db2.gz YRDRDFFQULCNDD-WCQYABFASA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000421082205 192312016 /nfs/dbraw/zinc/31/20/16/192312016.db2.gz IBAPSWBHJXLCFE-VIFPVBQESA-N 1 2 221.304 1.980 20 0 BDADLO CC(=O)CCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299649 356566100 /nfs/dbraw/zinc/56/61/00/356566100.db2.gz AGBNOPFGMLZNOR-NSHDSACASA-N 1 2 249.314 1.073 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000336215203 134136124 /nfs/dbraw/zinc/13/61/24/134136124.db2.gz COSYBKMSOCJVMK-JTQLQIEISA-N 1 2 212.272 1.139 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000336215203 134136125 /nfs/dbraw/zinc/13/61/25/134136125.db2.gz COSYBKMSOCJVMK-JTQLQIEISA-N 1 2 212.272 1.139 20 0 BDADLO O[C@]1(C(F)F)CC[N@H+](Cc2cncc(F)c2)C1 ZINC000336206870 134132122 /nfs/dbraw/zinc/13/21/22/134132122.db2.gz IECCOJXDTHEZQQ-LLVKDONJSA-N 1 2 246.232 1.423 20 0 BDADLO O[C@]1(C(F)F)CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000336206870 134132123 /nfs/dbraw/zinc/13/21/23/134132123.db2.gz IECCOJXDTHEZQQ-LLVKDONJSA-N 1 2 246.232 1.423 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccn2)[C@@H]1C ZINC000639656673 356572597 /nfs/dbraw/zinc/57/25/97/356572597.db2.gz RVRLUFNMBUKHMY-NXEZZACHSA-N 1 2 219.288 1.360 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccn2)[C@@H]1C ZINC000639656673 356572600 /nfs/dbraw/zinc/57/26/00/356572600.db2.gz RVRLUFNMBUKHMY-NXEZZACHSA-N 1 2 219.288 1.360 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000336207838 134132997 /nfs/dbraw/zinc/13/29/97/134132997.db2.gz ZLCKKTUCAKYADJ-SKDRFNHKSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000336207838 134132998 /nfs/dbraw/zinc/13/29/98/134132998.db2.gz ZLCKKTUCAKYADJ-SKDRFNHKSA-N 1 2 221.304 1.852 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)CC[C@@H](C)O)nn1C ZINC000421318306 192316845 /nfs/dbraw/zinc/31/68/45/192316845.db2.gz DMNKQUDMDYGDNT-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)CC[C@@H](C)O)nn1C ZINC000421318306 192316847 /nfs/dbraw/zinc/31/68/47/192316847.db2.gz DMNKQUDMDYGDNT-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623308108 356614662 /nfs/dbraw/zinc/61/46/62/356614662.db2.gz VEIKYJRISZAFDE-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccno2)[C@@H](C)C(=O)N1C ZINC000639688129 356597672 /nfs/dbraw/zinc/59/76/72/356597672.db2.gz LPJADMQNXAWKRW-UTLUCORTSA-N 1 2 237.303 1.114 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccno2)[C@@H](C)C(=O)N1C ZINC000639688129 356597674 /nfs/dbraw/zinc/59/76/74/356597674.db2.gz LPJADMQNXAWKRW-UTLUCORTSA-N 1 2 237.303 1.114 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000623305678 356600613 /nfs/dbraw/zinc/60/06/13/356600613.db2.gz XRRLVKLHYHFEMP-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO CCc1cc(NC(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000639700784 356607297 /nfs/dbraw/zinc/60/72/97/356607297.db2.gz NFXFJHOKRREIGG-UHFFFAOYSA-N 1 2 249.274 1.046 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@@H](C)S(C)(=O)=O)o1 ZINC000450236692 202102557 /nfs/dbraw/zinc/10/25/57/202102557.db2.gz DXWBPGUTCSAEFP-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@@H](C)S(C)(=O)=O)o1 ZINC000450236692 202102560 /nfs/dbraw/zinc/10/25/60/202102560.db2.gz DXWBPGUTCSAEFP-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO CCCC1(CNc2nc(C)[nH+]c(N)n2)CCC1 ZINC000392051253 356649708 /nfs/dbraw/zinc/64/97/08/356649708.db2.gz IQRXUUBVIHKMRK-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO CCCC1(CNc2nc(N)nc(C)[nH+]2)CCC1 ZINC000392051253 356649711 /nfs/dbraw/zinc/64/97/11/356649711.db2.gz IQRXUUBVIHKMRK-UHFFFAOYSA-N 1 2 235.335 1.397 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C[C@H]1CO ZINC000630095262 363547750 /nfs/dbraw/zinc/54/77/50/363547750.db2.gz XBJCTLQVEVYRNF-PWSUYJOCSA-N 1 2 236.315 1.029 20 0 BDADLO COCC[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000450282015 202117848 /nfs/dbraw/zinc/11/78/48/202117848.db2.gz FMUINISGFQPDIK-UHFFFAOYSA-N 1 2 229.349 1.740 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000450282015 202117852 /nfs/dbraw/zinc/11/78/52/202117852.db2.gz FMUINISGFQPDIK-UHFFFAOYSA-N 1 2 229.349 1.740 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C(C)C)s1 ZINC000450284279 202118986 /nfs/dbraw/zinc/11/89/86/202118986.db2.gz KCEPDLYFEMALHO-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C(C)C)s1 ZINC000450284279 202118990 /nfs/dbraw/zinc/11/89/90/202118990.db2.gz KCEPDLYFEMALHO-UHFFFAOYSA-N 1 2 243.376 1.864 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+]CC(C)(F)F ZINC000378680345 356658375 /nfs/dbraw/zinc/65/83/75/356658375.db2.gz VHGUYLVSGYQCLU-UHFFFAOYSA-N 1 2 217.263 1.782 20 0 BDADLO CC[N@H+](CCO)Cc1nnc(C(C)C)s1 ZINC000450351855 202140343 /nfs/dbraw/zinc/14/03/43/202140343.db2.gz WKPAFCCAFHSWQO-UHFFFAOYSA-N 1 2 229.349 1.476 20 0 BDADLO CC[N@@H+](CCO)Cc1nnc(C(C)C)s1 ZINC000450351855 202140345 /nfs/dbraw/zinc/14/03/45/202140345.db2.gz WKPAFCCAFHSWQO-UHFFFAOYSA-N 1 2 229.349 1.476 20 0 BDADLO C[NH+](C)[C@H]1CCC[C@H](N=c2[nH]ncs2)C1 ZINC000450367193 202143650 /nfs/dbraw/zinc/14/36/50/202143650.db2.gz BFRHDTFLNUYGKF-IUCAKERBSA-N 1 2 226.349 1.245 20 0 BDADLO CC(C)OCCCc1noc(C[NH+](C)C)n1 ZINC000350651842 366317154 /nfs/dbraw/zinc/31/71/54/366317154.db2.gz VTWLJPJWTZSMTD-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCC[C@@H](C)O ZINC000450345951 202138379 /nfs/dbraw/zinc/13/83/79/202138379.db2.gz GRUDSIVQKKLBEO-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(C)C ZINC000040473564 356692635 /nfs/dbraw/zinc/69/26/35/356692635.db2.gz XNNCTPOPXGXKOV-MNOVXSKESA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(C)C ZINC000040473564 356692636 /nfs/dbraw/zinc/69/26/36/356692636.db2.gz XNNCTPOPXGXKOV-MNOVXSKESA-N 1 2 228.336 1.010 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@H](C)C(C)(F)F ZINC000389473391 356681291 /nfs/dbraw/zinc/68/12/91/356681291.db2.gz VHUWBMGTHSAXOY-MRVPVSSYSA-N 1 2 217.263 1.862 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1ccns1 ZINC000639787431 356739981 /nfs/dbraw/zinc/73/99/81/356739981.db2.gz OBORMIKFGDPGFP-QMMMGPOBSA-N 1 2 239.344 1.242 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccns1 ZINC000639787431 356739983 /nfs/dbraw/zinc/73/99/83/356739983.db2.gz OBORMIKFGDPGFP-QMMMGPOBSA-N 1 2 239.344 1.242 20 0 BDADLO Cc1oncc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000130384819 325046759 /nfs/dbraw/zinc/04/67/59/325046759.db2.gz CHVPJMKSZWEZBX-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1oncc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000130384819 325046762 /nfs/dbraw/zinc/04/67/62/325046762.db2.gz CHVPJMKSZWEZBX-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccns2)ncn1 ZINC000639810783 356788756 /nfs/dbraw/zinc/78/87/56/356788756.db2.gz ZXCUKERYPLFFSZ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccns2)ncn1 ZINC000639810783 356788758 /nfs/dbraw/zinc/78/87/58/356788758.db2.gz ZXCUKERYPLFFSZ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO COCC[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000054356177 363568824 /nfs/dbraw/zinc/56/88/24/363568824.db2.gz BCNKCEZJHVQYQV-UHFFFAOYSA-N 1 2 227.308 1.346 20 0 BDADLO COCC[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000054356177 363568831 /nfs/dbraw/zinc/56/88/31/363568831.db2.gz BCNKCEZJHVQYQV-UHFFFAOYSA-N 1 2 227.308 1.346 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000450474071 202177640 /nfs/dbraw/zinc/17/76/40/202177640.db2.gz OWMVLBVBGMPVOB-VIFPVBQESA-N 1 2 241.360 1.882 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000450474071 202177643 /nfs/dbraw/zinc/17/76/43/202177643.db2.gz OWMVLBVBGMPVOB-VIFPVBQESA-N 1 2 241.360 1.882 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623360251 356804841 /nfs/dbraw/zinc/80/48/41/356804841.db2.gz ACQRVXNKMKSHHB-LLVKDONJSA-N 1 2 235.331 1.622 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000639832250 356817368 /nfs/dbraw/zinc/81/73/68/356817368.db2.gz ABTRPJSAKZQUMM-ZDUSSCGKSA-N 1 2 221.300 1.800 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000639832250 356817372 /nfs/dbraw/zinc/81/73/72/356817372.db2.gz ABTRPJSAKZQUMM-ZDUSSCGKSA-N 1 2 221.300 1.800 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cnccc2C)CCO1 ZINC000639833525 356820632 /nfs/dbraw/zinc/82/06/32/356820632.db2.gz KFLLRPDHYZMHCU-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cnccc2C)CCO1 ZINC000639833525 356820633 /nfs/dbraw/zinc/82/06/33/356820633.db2.gz KFLLRPDHYZMHCU-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccnc(C)c2)CCO1 ZINC000639837824 356827661 /nfs/dbraw/zinc/82/76/61/356827661.db2.gz SDUYZYDSQJNMSI-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccnc(C)c2)CCO1 ZINC000639837824 356827666 /nfs/dbraw/zinc/82/76/66/356827666.db2.gz SDUYZYDSQJNMSI-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO Cn1c[nH+]cc1CN1CCC[C@H]1c1ncccn1 ZINC000639842940 356838087 /nfs/dbraw/zinc/83/80/87/356838087.db2.gz LNGNLZLKAJLPIU-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000361133846 356918031 /nfs/dbraw/zinc/91/80/31/356918031.db2.gz ZWUVYSXIHMWHFP-QMMMGPOBSA-N 1 2 247.302 1.319 20 0 BDADLO CC[N@H+](Cc1nccs1)[C@@H]1CCOC1 ZINC000361237577 356921021 /nfs/dbraw/zinc/92/10/21/356921021.db2.gz KYIHXAJKWAQNPP-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC[N@@H+](Cc1nccs1)[C@@H]1CCOC1 ZINC000361237577 356921022 /nfs/dbraw/zinc/92/10/22/356921022.db2.gz KYIHXAJKWAQNPP-SECBINFHSA-N 1 2 212.318 1.754 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)CC(F)F ZINC000361264894 356922962 /nfs/dbraw/zinc/92/29/62/356922962.db2.gz GRYUOJJFVACQPD-VIFPVBQESA-N 1 2 209.280 1.980 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)CC(F)F ZINC000361264894 356922966 /nfs/dbraw/zinc/92/29/66/356922966.db2.gz GRYUOJJFVACQPD-VIFPVBQESA-N 1 2 209.280 1.980 20 0 BDADLO CC[N@@H+](Cc1noc(COC)n1)CC1CCC1 ZINC000361485580 356930237 /nfs/dbraw/zinc/93/02/37/356930237.db2.gz OWDMHDBMNJJTOT-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO CC[N@H+](Cc1noc(COC)n1)CC1CCC1 ZINC000361485580 356930242 /nfs/dbraw/zinc/93/02/42/356930242.db2.gz OWDMHDBMNJJTOT-UHFFFAOYSA-N 1 2 239.319 1.838 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CCCCO1 ZINC000359626413 356892060 /nfs/dbraw/zinc/89/20/60/356892060.db2.gz AIGWCHZUEZSFJE-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)C[C@@H]1CCCCO1 ZINC000359626413 356892063 /nfs/dbraw/zinc/89/20/63/356892063.db2.gz AIGWCHZUEZSFJE-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1cc(N[C@@H]2CCS[C@@H]2C)c(C#N)c[nH+]1 ZINC000399576581 356980801 /nfs/dbraw/zinc/98/08/01/356980801.db2.gz KKBXUTUOFMLZKT-MWLCHTKSSA-N 1 2 233.340 1.990 20 0 BDADLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)c(C#N)cn1 ZINC000399649244 356999423 /nfs/dbraw/zinc/99/94/23/356999423.db2.gz MLIUVSAPTWCEJX-SECBINFHSA-N 1 2 227.271 1.580 20 0 BDADLO Cc1cc(N[C@@H]2CCO[C@H]2C)c(C#N)c[nH+]1 ZINC000399579031 356981599 /nfs/dbraw/zinc/98/15/99/356981599.db2.gz KYYFRTKBILMCHH-GXSJLCMTSA-N 1 2 217.272 1.273 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC(C)(C)C ZINC000543410848 325086458 /nfs/dbraw/zinc/08/64/58/325086458.db2.gz AOZKHFHXAYBKLU-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO FCC(CF)Nc1cc[nH+]c(C2CC2)n1 ZINC000450596455 202207437 /nfs/dbraw/zinc/20/74/37/202207437.db2.gz XNWXARLSDJYLGO-UHFFFAOYSA-N 1 2 213.231 1.495 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)NCc1c[nH+]cn1C ZINC000355273668 538791899 /nfs/dbraw/zinc/79/18/99/538791899.db2.gz WTMWVVPPVYNNTK-MWLCHTKSSA-N 1 2 239.319 1.097 20 0 BDADLO CCc1nc(C(=O)NCc2c[nH+]cn2C)c(C)o1 ZINC000355282370 538792930 /nfs/dbraw/zinc/79/29/30/538792930.db2.gz DFKBKVPBNKXWAI-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO COC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000053605454 357075609 /nfs/dbraw/zinc/07/56/09/357075609.db2.gz BHGGXEJAOLSJIR-UHFFFAOYSA-N 1 2 237.303 1.558 20 0 BDADLO CCCCCC(=O)NCC[NH+]1CCOCC1 ZINC000023379337 357135454 /nfs/dbraw/zinc/13/54/54/357135454.db2.gz LBTLSEZGCRBACB-UHFFFAOYSA-N 1 2 228.336 1.015 20 0 BDADLO CC(C)CCc1cc(=NC(=O)C(C)(C)[NH3+])[nH][nH]1 ZINC000583692144 357141000 /nfs/dbraw/zinc/14/10/00/357141000.db2.gz HFTVOABJIXNZQS-UHFFFAOYSA-N 1 2 238.335 1.096 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC12CCCC2 ZINC000582439495 357160068 /nfs/dbraw/zinc/16/00/68/357160068.db2.gz PFHBXXVGZJJSOE-JTQLQIEISA-N 1 2 233.315 1.791 20 0 BDADLO CCc1nsc(N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000377330485 357230393 /nfs/dbraw/zinc/23/03/93/357230393.db2.gz MWXISPCCQGHAIZ-ZETCQYMHSA-N 1 2 249.343 1.215 20 0 BDADLO CCc1nsc(N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000377330485 357230399 /nfs/dbraw/zinc/23/03/99/357230399.db2.gz MWXISPCCQGHAIZ-ZETCQYMHSA-N 1 2 249.343 1.215 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000628419415 357237757 /nfs/dbraw/zinc/23/77/57/357237757.db2.gz XMJSVEVPMYXEPU-UHFFFAOYSA-N 1 2 243.310 1.950 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000628419415 357237762 /nfs/dbraw/zinc/23/77/62/357237762.db2.gz XMJSVEVPMYXEPU-UHFFFAOYSA-N 1 2 243.310 1.950 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000639900397 357285595 /nfs/dbraw/zinc/28/55/95/357285595.db2.gz SIUCALZOVAMOMV-JBLDHEPKSA-N 1 2 249.314 1.499 20 0 BDADLO CCCn1ncnc1C[N@H+](CCOC)C1CC1 ZINC000582466384 357291812 /nfs/dbraw/zinc/29/18/12/357291812.db2.gz LAICJIFMGDVTDQ-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](CCOC)C1CC1 ZINC000582466384 357291815 /nfs/dbraw/zinc/29/18/15/357291815.db2.gz LAICJIFMGDVTDQ-UHFFFAOYSA-N 1 2 238.335 1.299 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631183615 357242886 /nfs/dbraw/zinc/24/28/86/357242886.db2.gz KPHOJNPFYVXTER-UHFFFAOYSA-N 1 2 216.231 1.922 20 0 BDADLO Cc1cc(C[NH+]2CC3(C2)CCCO3)ccn1 ZINC000628427681 357256793 /nfs/dbraw/zinc/25/67/93/357256793.db2.gz SIHPBYYCSWIWGQ-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cnccc1C[NH+]1CC2(C1)CCCO2 ZINC000628427508 357256886 /nfs/dbraw/zinc/25/68/86/357256886.db2.gz GVNAZTJSZQQUJT-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCC[C@@H]2O)c(C)c[nH+]1 ZINC000639901772 357322336 /nfs/dbraw/zinc/32/23/36/357322336.db2.gz LACRCRYIYLLEER-JQWIXIFHSA-N 1 2 249.314 1.155 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccsn1 ZINC000582528491 357335294 /nfs/dbraw/zinc/33/52/94/357335294.db2.gz UVXORNOYJJATGW-UHFFFAOYSA-N 1 2 248.311 1.928 20 0 BDADLO C[C@@H](CC(=O)N1CC(=O)CC1(C)C)n1cc[nH+]c1 ZINC000582611202 357351353 /nfs/dbraw/zinc/35/13/53/357351353.db2.gz RGVHFKUAXKNVLB-JTQLQIEISA-N 1 2 249.314 1.414 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC(C)(C)C ZINC000357656770 538832324 /nfs/dbraw/zinc/83/23/24/538832324.db2.gz YJEXEXHNVFSCCV-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2ccc(C)cn2)n1 ZINC000582772845 357385566 /nfs/dbraw/zinc/38/55/66/357385566.db2.gz NOGQMRHOWUVJLS-AATRIKPKSA-N 1 2 230.271 1.663 20 0 BDADLO CC[N@H+](CC(=O)NCC1CC1)Cc1ccoc1 ZINC000102407938 357388228 /nfs/dbraw/zinc/38/82/28/357388228.db2.gz REKHNODKPHYDNU-UHFFFAOYSA-N 1 2 236.315 1.628 20 0 BDADLO CC[N@@H+](CC(=O)NCC1CC1)Cc1ccoc1 ZINC000102407938 357388232 /nfs/dbraw/zinc/38/82/32/357388232.db2.gz REKHNODKPHYDNU-UHFFFAOYSA-N 1 2 236.315 1.628 20 0 BDADLO C[C@H](CC(=O)N(C)Cc1cc[nH]n1)n1cc[nH+]c1 ZINC000582968405 357447218 /nfs/dbraw/zinc/44/72/18/357447218.db2.gz QBPFANJDZDNQTM-SNVBAGLBSA-N 1 2 247.302 1.216 20 0 BDADLO CC(C)(C)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000073390411 357514811 /nfs/dbraw/zinc/51/48/11/357514811.db2.gz JOGNWGGBJFEMLQ-LLVKDONJSA-N 1 2 235.331 1.920 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cc(C)ncn2)cn1 ZINC000583239822 357680051 /nfs/dbraw/zinc/68/00/51/357680051.db2.gz RAAWRLUQCXWGFW-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cc(C)ncn2)cn1 ZINC000583239822 357680054 /nfs/dbraw/zinc/68/00/54/357680054.db2.gz RAAWRLUQCXWGFW-UHFFFAOYSA-N 1 2 245.330 1.633 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccccn1 ZINC000063707369 357715648 /nfs/dbraw/zinc/71/56/48/357715648.db2.gz CYBRYKGAZQPPIJ-UHFFFAOYSA-N 1 2 242.282 1.319 20 0 BDADLO CCOC[C@H]([NH2+][C@@H](CC)C(=O)OCC)C(C)C ZINC000233787709 357749365 /nfs/dbraw/zinc/74/93/65/357749365.db2.gz BUHCSDGYZXHEDL-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@H]1CCCO1 ZINC000191950158 357806270 /nfs/dbraw/zinc/80/62/70/357806270.db2.gz CRQXDAGEQANUCE-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@H]1CCCO1 ZINC000191950158 357806272 /nfs/dbraw/zinc/80/62/72/357806272.db2.gz CRQXDAGEQANUCE-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO COC(=O)[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)[C@@H](C)O ZINC000191959435 357806543 /nfs/dbraw/zinc/80/65/43/357806543.db2.gz CEMUXZIKWMVUFE-BFLSOPEQSA-N 1 2 243.347 1.323 20 0 BDADLO C[C@H]1C[N@H+](CCC(C)(C)C)CCS(=O)(=O)C1 ZINC000192067553 357817084 /nfs/dbraw/zinc/81/70/84/357817084.db2.gz VKUQGQTYMXJSHI-NSHDSACASA-N 1 2 247.404 1.789 20 0 BDADLO C[C@H]1C[N@@H+](CCC(C)(C)C)CCS(=O)(=O)C1 ZINC000192067553 357817086 /nfs/dbraw/zinc/81/70/86/357817086.db2.gz VKUQGQTYMXJSHI-NSHDSACASA-N 1 2 247.404 1.789 20 0 BDADLO C[N@@H+](Cc1cn2cccnc2n1)Cc1ccco1 ZINC000193122033 357861045 /nfs/dbraw/zinc/86/10/45/357861045.db2.gz FNHJXAACVGNBEN-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[N@H+](Cc1cn2cccnc2n1)Cc1ccco1 ZINC000193122033 357861047 /nfs/dbraw/zinc/86/10/47/357861047.db2.gz FNHJXAACVGNBEN-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO C[C@H](CO)CSCc1[nH+]ccn1C ZINC000085138407 134224133 /nfs/dbraw/zinc/22/41/33/134224133.db2.gz CAQQPDWMKIATMB-MRVPVSSYSA-N 1 2 200.307 1.282 20 0 BDADLO C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000235516501 357874235 /nfs/dbraw/zinc/87/42/35/357874235.db2.gz SLHJVUXRQIUIDY-OPQQBVKSSA-N 1 2 243.347 1.874 20 0 BDADLO C[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(F)cc1 ZINC000235515718 357874366 /nfs/dbraw/zinc/87/43/66/357874366.db2.gz JLDPUDRMTICOFO-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H]3CCCCN3C2=O)nc[nH+]1 ZINC000583309252 357890477 /nfs/dbraw/zinc/89/04/77/357890477.db2.gz VUCPWOOISFYVCX-WDEREUQCSA-N 1 2 246.314 1.350 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CC2(CCC2)C1 ZINC000584412543 357914686 /nfs/dbraw/zinc/91/46/86/357914686.db2.gz KJQYQXMNWORMKJ-UHFFFAOYSA-N 1 2 233.315 1.580 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC(=O)NC(C)C ZINC000584440409 357921946 /nfs/dbraw/zinc/92/19/46/357921946.db2.gz RHDPUJYWEKTJNM-UHFFFAOYSA-N 1 2 236.319 1.054 20 0 BDADLO CCCC[C@H](C(=O)OC)[NH+]1CC(O)(C2CC2)C1 ZINC000368474810 357928889 /nfs/dbraw/zinc/92/88/89/357928889.db2.gz PTEZBPVGBDEUCM-LLVKDONJSA-N 1 2 241.331 1.175 20 0 BDADLO CNC(=O)CSCCc1[nH+]cc(C)cc1C ZINC000583811461 357956509 /nfs/dbraw/zinc/95/65/09/357956509.db2.gz DQANIMDLYVQACY-UHFFFAOYSA-N 1 2 238.356 1.720 20 0 BDADLO C[C@H]([NH2+]Cc1ccno1)c1ccccn1 ZINC000219366227 357995160 /nfs/dbraw/zinc/99/51/60/357995160.db2.gz HMCSGNQFMNXKKB-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccn(C)n1 ZINC000639971133 358020262 /nfs/dbraw/zinc/02/02/62/358020262.db2.gz NUNXBTVDBZZGSR-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccn(C)n1 ZINC000639971133 358020264 /nfs/dbraw/zinc/02/02/64/358020264.db2.gz NUNXBTVDBZZGSR-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000639966730 358020996 /nfs/dbraw/zinc/02/09/96/358020996.db2.gz FVDVBXDXYIEDAM-SECBINFHSA-N 1 2 238.335 1.065 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000639966730 358020997 /nfs/dbraw/zinc/02/09/97/358020997.db2.gz FVDVBXDXYIEDAM-SECBINFHSA-N 1 2 238.335 1.065 20 0 BDADLO CC[C@@H](C[N@H+](C)Cc1cn[nH]c1C)OC ZINC000639970792 358024670 /nfs/dbraw/zinc/02/46/70/358024670.db2.gz KROJSXFRGRBPHH-NSHDSACASA-N 1 2 211.309 1.575 20 0 BDADLO CC[C@@H](C[N@@H+](C)Cc1cn[nH]c1C)OC ZINC000639970792 358024672 /nfs/dbraw/zinc/02/46/72/358024672.db2.gz KROJSXFRGRBPHH-NSHDSACASA-N 1 2 211.309 1.575 20 0 BDADLO Cc1nnc(C[NH+]2CCC(CCF)CC2)n1C ZINC000639988448 358027641 /nfs/dbraw/zinc/02/76/41/358027641.db2.gz DMWMUBHGFIQOGQ-UHFFFAOYSA-N 1 2 240.326 1.695 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]Cc2cnnn2C)cs1 ZINC000309743360 491119258 /nfs/dbraw/zinc/11/92/58/491119258.db2.gz DVCTYEUNBQUKEL-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO OCc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)o1 ZINC000628458050 358040245 /nfs/dbraw/zinc/04/02/45/358040245.db2.gz AUHHKYNCCPGYLY-SNVBAGLBSA-N 1 2 243.278 1.332 20 0 BDADLO OCc1ccc(C[N@H+]2CCO[C@H](CCF)C2)o1 ZINC000628458050 358040246 /nfs/dbraw/zinc/04/02/46/358040246.db2.gz AUHHKYNCCPGYLY-SNVBAGLBSA-N 1 2 243.278 1.332 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584533001 358043005 /nfs/dbraw/zinc/04/30/05/358043005.db2.gz NPSPQNACGYUOBA-SDDRHHMPSA-N 1 2 235.331 1.995 20 0 BDADLO CC[N@H+](Cc1nc([C@H](C)OC)no1)C1CC1 ZINC000175079362 535391285 /nfs/dbraw/zinc/39/12/85/535391285.db2.gz FVNKADUIXBUEGY-QMMMGPOBSA-N 1 2 225.292 1.761 20 0 BDADLO CC[N@@H+](Cc1nc([C@H](C)OC)no1)C1CC1 ZINC000175079362 535391291 /nfs/dbraw/zinc/39/12/91/535391291.db2.gz FVNKADUIXBUEGY-QMMMGPOBSA-N 1 2 225.292 1.761 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1nc(C)c(C)s1 ZINC000583870473 358076353 /nfs/dbraw/zinc/07/63/53/358076353.db2.gz UQHBKOLQRVOSQI-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1nc(C)c(C)s1 ZINC000583870473 358076355 /nfs/dbraw/zinc/07/63/55/358076355.db2.gz UQHBKOLQRVOSQI-UHFFFAOYSA-N 1 2 241.360 1.328 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](C)c1cnn(C)c1C ZINC000051923466 358101244 /nfs/dbraw/zinc/10/12/44/358101244.db2.gz BCCDDDMINVYIPG-SNVBAGLBSA-N 1 2 247.346 1.796 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)C[C@H](O)C1 ZINC000583882790 358118178 /nfs/dbraw/zinc/11/81/78/358118178.db2.gz SMALPBFHSCNBKP-KCJUWKMLSA-N 1 2 221.304 1.301 20 0 BDADLO COCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000171265353 134256255 /nfs/dbraw/zinc/25/62/55/134256255.db2.gz DLSVKAULPWORFC-UHFFFAOYSA-N 1 2 222.288 1.982 20 0 BDADLO Cc1ccc(CCNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC000584673240 358144077 /nfs/dbraw/zinc/14/40/77/358144077.db2.gz TVMZAAXIBMGFRD-UHFFFAOYSA-N 1 2 247.298 1.603 20 0 BDADLO CCN(Cc1cccs1)c1nc(C)[nH+]c(N)n1 ZINC000383823672 358171189 /nfs/dbraw/zinc/17/11/89/358171189.db2.gz RGIQAHWWBBIAIZ-UHFFFAOYSA-N 1 2 249.343 1.681 20 0 BDADLO CCN(Cc1cccs1)c1nc(N)nc(C)[nH+]1 ZINC000383823672 358171193 /nfs/dbraw/zinc/17/11/93/358171193.db2.gz RGIQAHWWBBIAIZ-UHFFFAOYSA-N 1 2 249.343 1.681 20 0 BDADLO Cc1c[nH]c(CN2CCc3c(O)cccc3C2)[nH+]1 ZINC000628463996 358183085 /nfs/dbraw/zinc/18/30/85/358183085.db2.gz DFBXHTBZRIIOFO-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC([C@H](C)O)C1 ZINC000640128110 358205923 /nfs/dbraw/zinc/20/59/23/358205923.db2.gz JDZQPCALYKECSZ-JTQLQIEISA-N 1 2 249.314 1.543 20 0 BDADLO c1[nH]c(CN2Cc3ccccc3CO2)c[nH+]1 ZINC000640128255 358206000 /nfs/dbraw/zinc/20/60/00/358206000.db2.gz YACWBWDUALDGLV-UHFFFAOYSA-N 1 2 215.256 1.857 20 0 BDADLO c1[nH]cc(CN2Cc3ccccc3CO2)[nH+]1 ZINC000640128255 358206006 /nfs/dbraw/zinc/20/60/06/358206006.db2.gz YACWBWDUALDGLV-UHFFFAOYSA-N 1 2 215.256 1.857 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)CCCCO)[nH+]1 ZINC000450645233 202222672 /nfs/dbraw/zinc/22/26/72/202222672.db2.gz FKWYGDLOHAPVSG-SECBINFHSA-N 1 2 248.330 1.651 20 0 BDADLO COC[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)C(C)C ZINC000227770571 358362857 /nfs/dbraw/zinc/36/28/57/358362857.db2.gz CLRSUIWXNNILRZ-WDEREUQCSA-N 1 2 229.320 1.199 20 0 BDADLO CCc1cnc(C[NH2+][C@H](C)c2cnn(C)c2)o1 ZINC000230640312 358408805 /nfs/dbraw/zinc/40/88/05/358408805.db2.gz UGTCFOLYAJVREP-SECBINFHSA-N 1 2 234.303 1.821 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000229390244 358402679 /nfs/dbraw/zinc/40/26/79/358402679.db2.gz LREUGNUXJMTPCG-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000229390244 358402684 /nfs/dbraw/zinc/40/26/84/358402684.db2.gz LREUGNUXJMTPCG-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO Cc1ccc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)o1 ZINC000351219622 366453937 /nfs/dbraw/zinc/45/39/37/366453937.db2.gz KTDVJZNGSJMVBL-SNVBAGLBSA-N 1 2 249.270 1.641 20 0 BDADLO Cc1ccc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)o1 ZINC000351219622 366453941 /nfs/dbraw/zinc/45/39/41/366453941.db2.gz KTDVJZNGSJMVBL-SNVBAGLBSA-N 1 2 249.270 1.641 20 0 BDADLO CCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174477054 134281929 /nfs/dbraw/zinc/28/19/29/134281929.db2.gz RPRHSGLFSXVKTP-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO CCC(CC)NC(=O)NCCCn1cc[nH+]c1 ZINC000077827854 325393758 /nfs/dbraw/zinc/39/37/58/325393758.db2.gz JLGGBLXPRVLLLO-UHFFFAOYSA-N 1 2 238.335 1.761 20 0 BDADLO Cc1nnc(C[NH2+]C2CSC2)s1 ZINC000307638160 491133879 /nfs/dbraw/zinc/13/38/79/491133879.db2.gz ZQMPWJHMLMANTH-UHFFFAOYSA-N 1 2 201.320 1.052 20 0 BDADLO Cc1ccc(-c2nnc(C[N@H+](C)CCO)o2)cc1 ZINC000047953371 358608065 /nfs/dbraw/zinc/60/80/65/358608065.db2.gz FUOATKCXRHSDLC-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO Cc1ccc(-c2nnc(C[N@@H+](C)CCO)o2)cc1 ZINC000047953371 358608067 /nfs/dbraw/zinc/60/80/67/358608067.db2.gz FUOATKCXRHSDLC-UHFFFAOYSA-N 1 2 247.298 1.469 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000048128761 358616620 /nfs/dbraw/zinc/61/66/20/358616620.db2.gz KXJREGQRUPSAAJ-DTWKUNHWSA-N 1 2 227.333 1.139 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000130895499 358651530 /nfs/dbraw/zinc/65/15/30/358651530.db2.gz UFZCVLHPAPDGBM-RYUDHWBXSA-N 1 2 235.331 1.826 20 0 BDADLO CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000049265511 358678575 /nfs/dbraw/zinc/67/85/75/358678575.db2.gz OHJKQVNJFGDSGO-UHFFFAOYSA-N 1 2 246.314 1.586 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCOC3)cc2[nH+]1 ZINC000049341207 358683668 /nfs/dbraw/zinc/68/36/68/358683668.db2.gz VWAMVABAFDTSFO-VIFPVBQESA-N 1 2 245.282 1.846 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000051821684 358764384 /nfs/dbraw/zinc/76/43/84/358764384.db2.gz FEFDPHMJZKSMGL-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000051821684 358764387 /nfs/dbraw/zinc/76/43/87/358764387.db2.gz FEFDPHMJZKSMGL-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO CC[N@H+](CCO[C@@H]1CCCCO1)CC(=O)OC ZINC000050066204 358711729 /nfs/dbraw/zinc/71/17/29/358711729.db2.gz KQYBIPAOQYGQCC-GFCCVEGCSA-N 1 2 245.319 1.025 20 0 BDADLO CC[N@@H+](CCO[C@@H]1CCCCO1)CC(=O)OC ZINC000050066204 358711730 /nfs/dbraw/zinc/71/17/30/358711730.db2.gz KQYBIPAOQYGQCC-GFCCVEGCSA-N 1 2 245.319 1.025 20 0 BDADLO CC[C@@H]([NH2+]CCc1ccc(F)cc1)C(=O)OC ZINC000134921085 358811145 /nfs/dbraw/zinc/81/11/45/358811145.db2.gz HDDCXNAFEIPAQW-GFCCVEGCSA-N 1 2 239.290 1.909 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)C(=O)OC ZINC000134970725 358813501 /nfs/dbraw/zinc/81/35/01/358813501.db2.gz MXIJXVHTKXEOMY-NEPJUHHUSA-N 1 2 249.310 1.531 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c(C)[nH]1 ZINC000052395955 358780440 /nfs/dbraw/zinc/78/04/40/358780440.db2.gz BNJBJMVDWAIWLB-LLVKDONJSA-N 1 2 236.315 1.271 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)C2)c(C)[nH]1 ZINC000052395955 358780443 /nfs/dbraw/zinc/78/04/43/358780443.db2.gz BNJBJMVDWAIWLB-LLVKDONJSA-N 1 2 236.315 1.271 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134145598 358781927 /nfs/dbraw/zinc/78/19/27/358781927.db2.gz MJXARGISGJLRPN-GXFFZTMASA-N 1 2 249.310 1.483 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134145598 358781930 /nfs/dbraw/zinc/78/19/30/358781930.db2.gz MJXARGISGJLRPN-GXFFZTMASA-N 1 2 249.310 1.483 20 0 BDADLO COc1c(C[NH2+]Cc2ccccn2)c(C)nn1C ZINC000134296748 358785829 /nfs/dbraw/zinc/78/58/29/358785829.db2.gz FAAMPBBSHABCFY-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO OCCCc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000136220480 358868983 /nfs/dbraw/zinc/86/89/83/358868983.db2.gz JROGLUKUKZPHGA-UHFFFAOYSA-N 1 2 231.299 1.947 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135528724 358843639 /nfs/dbraw/zinc/84/36/39/358843639.db2.gz YUYFROGFAXJVKO-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135528724 358843643 /nfs/dbraw/zinc/84/36/43/358843643.db2.gz YUYFROGFAXJVKO-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000054172157 358855361 /nfs/dbraw/zinc/85/53/61/358855361.db2.gz GBFVZSWIZADLAN-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@@H](C)C1 ZINC000054172157 358855367 /nfs/dbraw/zinc/85/53/67/358855367.db2.gz GBFVZSWIZADLAN-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cn(C)nn2)c(C)o1 ZINC000054861056 358877538 /nfs/dbraw/zinc/87/75/38/358877538.db2.gz SSBSIHFHUFRMKV-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCCn3nccc32)co1 ZINC000640220038 358891363 /nfs/dbraw/zinc/89/13/63/358891363.db2.gz JWNZKTCIEIHDIK-LLVKDONJSA-N 1 2 232.287 1.804 20 0 BDADLO CC[C@@H](NC(=O)c1ccc[nH]c1=O)c1[nH]cc[nH+]1 ZINC000140461279 358922344 /nfs/dbraw/zinc/92/23/44/358922344.db2.gz JWZPRRXZDHBECT-SECBINFHSA-N 1 2 246.270 1.391 20 0 BDADLO CC[C@@H](NC(=O)Cc1cccnc1)c1[nH]cc[nH+]1 ZINC000140516606 358922399 /nfs/dbraw/zinc/92/23/99/358922399.db2.gz WHMHIQOJJUDBQR-LLVKDONJSA-N 1 2 244.298 1.615 20 0 BDADLO CC[C@H](NC(=O)c1ccncc1)c1[nH]cc[nH+]1 ZINC000140473159 358922785 /nfs/dbraw/zinc/92/27/85/358922785.db2.gz ZZHIBEMADGISRI-JTQLQIEISA-N 1 2 230.271 1.686 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000141356166 358929852 /nfs/dbraw/zinc/92/98/52/358929852.db2.gz CNGPBXUQRIHDBO-VHSXEESVSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000141356166 358929854 /nfs/dbraw/zinc/92/98/54/358929854.db2.gz CNGPBXUQRIHDBO-VHSXEESVSA-N 1 2 229.320 1.437 20 0 BDADLO CNC(=O)Cc1nc(C[N@H+](C)C2CC2)cs1 ZINC000177557040 134300482 /nfs/dbraw/zinc/30/04/82/134300482.db2.gz PZZNKGLFDXQKNH-UHFFFAOYSA-N 1 2 239.344 1.026 20 0 BDADLO CNC(=O)Cc1nc(C[N@@H+](C)C2CC2)cs1 ZINC000177557040 134300483 /nfs/dbraw/zinc/30/04/83/134300483.db2.gz PZZNKGLFDXQKNH-UHFFFAOYSA-N 1 2 239.344 1.026 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@@H](C)C2 ZINC000352272875 535443811 /nfs/dbraw/zinc/44/38/11/535443811.db2.gz GNBMNTLXGGMYFJ-JFGNBEQYSA-N 1 2 210.321 1.591 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12CC[C@@H](C)[C@@H](C)C2 ZINC000352272875 535443817 /nfs/dbraw/zinc/44/38/17/535443817.db2.gz GNBMNTLXGGMYFJ-JFGNBEQYSA-N 1 2 210.321 1.591 20 0 BDADLO O=C(COc1ccc(F)cc1)NCc1[nH]cc[nH+]1 ZINC000070990541 359070069 /nfs/dbraw/zinc/07/00/69/359070069.db2.gz HYXZXVKVQXIPRL-UHFFFAOYSA-N 1 2 249.245 1.244 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc(F)c1F ZINC000070991210 359070445 /nfs/dbraw/zinc/07/04/45/359070445.db2.gz GHSCBKOMAFDLLO-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO Cc1cc(NCc2cccc(CO)c2)nc[nH+]1 ZINC000071354770 359078117 /nfs/dbraw/zinc/07/81/17/359078117.db2.gz GTMSRNCCIYVLMY-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO COC(=O)c1occc1CN(C)Cc1[nH]cc[nH+]1 ZINC000611191078 359100362 /nfs/dbraw/zinc/10/03/62/359100362.db2.gz HBMCALIMLSDSDF-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO C[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000073507726 359102359 /nfs/dbraw/zinc/10/23/59/359102359.db2.gz ACCDYMNKMVNMQD-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2[nH]cnc2c1 ZINC000074892558 359133520 /nfs/dbraw/zinc/13/35/20/359133520.db2.gz QUAMNTDXANNVIC-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO CCNC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832556 359225956 /nfs/dbraw/zinc/22/59/56/359225956.db2.gz ODARXVBMDNKGSQ-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CCNC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832556 359225960 /nfs/dbraw/zinc/22/59/60/359225960.db2.gz ODARXVBMDNKGSQ-UHFFFAOYSA-N 1 2 240.347 1.158 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247703492 359241763 /nfs/dbraw/zinc/24/17/63/359241763.db2.gz RISHDICJBJSIQF-GRYCIOLGSA-N 1 2 242.363 1.400 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247703492 359241770 /nfs/dbraw/zinc/24/17/70/359241770.db2.gz RISHDICJBJSIQF-GRYCIOLGSA-N 1 2 242.363 1.400 20 0 BDADLO O=C(Nc1cnns1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613761048 363633321 /nfs/dbraw/zinc/63/33/21/363633321.db2.gz ACOJILTZIZCELA-ZCFIWIBFSA-N 1 2 249.299 1.005 20 0 BDADLO O=C(Nc1cnns1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613761048 363633326 /nfs/dbraw/zinc/63/33/26/363633326.db2.gz ACOJILTZIZCELA-ZCFIWIBFSA-N 1 2 249.299 1.005 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC1(C)C ZINC000611796099 359452744 /nfs/dbraw/zinc/45/27/44/359452744.db2.gz WNBUBEVOOSCGGT-SECBINFHSA-N 1 2 221.304 1.771 20 0 BDADLO OCCC[N@H+](Cc1cscn1)C1CC1 ZINC000404293032 359454730 /nfs/dbraw/zinc/45/47/30/359454730.db2.gz AYOBRGKSIJUTJZ-UHFFFAOYSA-N 1 2 212.318 1.490 20 0 BDADLO OCCC[N@@H+](Cc1cscn1)C1CC1 ZINC000404293032 359454732 /nfs/dbraw/zinc/45/47/32/359454732.db2.gz AYOBRGKSIJUTJZ-UHFFFAOYSA-N 1 2 212.318 1.490 20 0 BDADLO C[N@H+](Cc1nnc(C2CC2)o1)[C@H]1CCSC1 ZINC000162662113 359511602 /nfs/dbraw/zinc/51/16/02/359511602.db2.gz PEXPXWLDSVELOK-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO C[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1CCSC1 ZINC000162662113 359511607 /nfs/dbraw/zinc/51/16/07/359511607.db2.gz PEXPXWLDSVELOK-VIFPVBQESA-N 1 2 239.344 1.884 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000308968738 491141232 /nfs/dbraw/zinc/14/12/32/491141232.db2.gz XRGOIQDZXDBLMS-MRTMQBJTSA-N 1 2 211.309 1.792 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnc2n1CCCC2 ZINC000580456424 359564151 /nfs/dbraw/zinc/56/41/51/359564151.db2.gz AIMKSNJHCMAXTP-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1[C@H](C)C[C@@H]1C)CC2 ZINC000626725978 359583183 /nfs/dbraw/zinc/58/31/83/359583183.db2.gz KFEXIZDQNQKTKY-GRYCIOLGSA-N 1 2 247.342 1.763 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N2CCCCCC2)CCO1 ZINC000054172169 359597697 /nfs/dbraw/zinc/59/76/97/359597697.db2.gz ZZKWWGFBWGQVRS-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N2CCCCCC2)CCO1 ZINC000054172169 359597703 /nfs/dbraw/zinc/59/77/03/359597703.db2.gz ZZKWWGFBWGQVRS-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO Cc1cc(N2CC(=O)N[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000450785926 202266176 /nfs/dbraw/zinc/26/61/76/202266176.db2.gz OSQFBUYVEMRPCP-SNVBAGLBSA-N 1 2 248.330 1.233 20 0 BDADLO c1cc(N[C@H]2CC23CCOCC3)nc(C2CC2)[nH+]1 ZINC000450794882 202268474 /nfs/dbraw/zinc/26/84/74/202268474.db2.gz NXFXSUSJXKJTMB-NSHDSACASA-N 1 2 245.326 1.757 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]ccn2C)no1 ZINC000057620439 359723128 /nfs/dbraw/zinc/72/31/28/359723128.db2.gz SKFGLLWXVDEIJG-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450899014 202303416 /nfs/dbraw/zinc/30/34/16/202303416.db2.gz CSDWKMQIGHOVJC-RKDXNWHRSA-N 1 2 243.282 1.703 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450899014 202303419 /nfs/dbraw/zinc/30/34/19/202303419.db2.gz CSDWKMQIGHOVJC-RKDXNWHRSA-N 1 2 243.282 1.703 20 0 BDADLO COC[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000450928252 202311963 /nfs/dbraw/zinc/31/19/63/202311963.db2.gz AUNCIQGWZKTTEP-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000450969751 202323507 /nfs/dbraw/zinc/32/35/07/202323507.db2.gz LVOJJPCGJPWDHX-NXEZZACHSA-N 1 2 226.349 1.569 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000450969751 202323510 /nfs/dbraw/zinc/32/35/10/202323510.db2.gz LVOJJPCGJPWDHX-NXEZZACHSA-N 1 2 226.349 1.569 20 0 BDADLO OCCC[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000450951571 202318459 /nfs/dbraw/zinc/31/84/59/202318459.db2.gz GIADBJRFFPTSFT-LLVKDONJSA-N 1 2 206.289 1.680 20 0 BDADLO Cc1nc(N2CC[C@@H](CCCO)C2)cc[nH+]1 ZINC000450959204 202320984 /nfs/dbraw/zinc/32/09/84/202320984.db2.gz XQNARLKCCHSDFT-LLVKDONJSA-N 1 2 221.304 1.384 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1csnn1 ZINC000450991637 202330544 /nfs/dbraw/zinc/33/05/44/202330544.db2.gz NEBTYVYYVDTTOK-YUMQZZPRSA-N 1 2 215.322 1.566 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450991637 202330548 /nfs/dbraw/zinc/33/05/48/202330548.db2.gz NEBTYVYYVDTTOK-YUMQZZPRSA-N 1 2 215.322 1.566 20 0 BDADLO COCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000578522194 366588945 /nfs/dbraw/zinc/58/89/45/366588945.db2.gz DROWPFJRMLJUTE-MRVPVSSYSA-N 1 2 223.276 1.014 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)[C@H]1C ZINC000451071888 202344857 /nfs/dbraw/zinc/34/48/57/202344857.db2.gz MYFJNTLVJGQKAW-ZJUUUORDSA-N 1 2 220.320 1.528 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)[C@H]1C ZINC000451071888 202344859 /nfs/dbraw/zinc/34/48/59/202344859.db2.gz MYFJNTLVJGQKAW-ZJUUUORDSA-N 1 2 220.320 1.528 20 0 BDADLO S=c1[nH]ccn1C[NH+]1CCSCC1 ZINC000306421094 359865799 /nfs/dbraw/zinc/86/57/99/359865799.db2.gz YNRVDWDOIYOJNE-UHFFFAOYSA-N 1 2 215.347 1.552 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451119778 202356055 /nfs/dbraw/zinc/35/60/55/202356055.db2.gz HQBRSSVBBOROAP-LLVKDONJSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451119778 202356058 /nfs/dbraw/zinc/35/60/58/202356058.db2.gz HQBRSSVBBOROAP-LLVKDONJSA-N 1 2 242.363 1.256 20 0 BDADLO CCCCCNC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451120158 202357192 /nfs/dbraw/zinc/35/71/92/202357192.db2.gz JXVLIASIMBTCCQ-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451120158 202357194 /nfs/dbraw/zinc/35/71/94/202357194.db2.gz JXVLIASIMBTCCQ-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451184712 202372878 /nfs/dbraw/zinc/37/28/78/202372878.db2.gz KUOHGMMQGIDCSS-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451184712 202372882 /nfs/dbraw/zinc/37/28/82/202372882.db2.gz KUOHGMMQGIDCSS-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451191348 202375959 /nfs/dbraw/zinc/37/59/59/202375959.db2.gz RDMYHBLRUAVEMU-AEJSXWLSSA-N 1 2 216.300 1.333 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451191348 202375960 /nfs/dbraw/zinc/37/59/60/202375960.db2.gz RDMYHBLRUAVEMU-AEJSXWLSSA-N 1 2 216.300 1.333 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CC(C)(C)CO)n1 ZINC000451242357 202384921 /nfs/dbraw/zinc/38/49/21/202384921.db2.gz ISDNCVGEQYVXQO-UHFFFAOYSA-N 1 2 241.335 1.643 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CC(C)(C)CO)n1 ZINC000451242357 202384924 /nfs/dbraw/zinc/38/49/24/202384924.db2.gz ISDNCVGEQYVXQO-UHFFFAOYSA-N 1 2 241.335 1.643 20 0 BDADLO CC[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1C)OC ZINC000309186441 491145980 /nfs/dbraw/zinc/14/59/80/491145980.db2.gz OWFLZPNFFSUDGN-WPRPVWTQSA-N 1 2 211.309 1.794 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC(C)(C)CO)s1 ZINC000451260329 202388293 /nfs/dbraw/zinc/38/82/93/202388293.db2.gz ZFIIVWBJXLLAPZ-QMMMGPOBSA-N 1 2 243.376 1.858 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC(C)(C)CO)s1 ZINC000451260329 202388298 /nfs/dbraw/zinc/38/82/98/202388298.db2.gz ZFIIVWBJXLLAPZ-QMMMGPOBSA-N 1 2 243.376 1.858 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000578617509 366608555 /nfs/dbraw/zinc/60/85/55/366608555.db2.gz CURNANFJYIHSAF-NXEZZACHSA-N 1 2 232.287 1.592 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000087710544 359925411 /nfs/dbraw/zinc/92/54/11/359925411.db2.gz HWRGKQDARWSUPL-NEPJUHHUSA-N 1 2 235.331 1.847 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1c(C)noc1C ZINC000578786667 366649241 /nfs/dbraw/zinc/64/92/41/366649241.db2.gz QUNKQEIXPKTFSX-UHFFFAOYSA-N 1 2 248.286 1.438 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1ccccn1 ZINC000088589317 359968114 /nfs/dbraw/zinc/96/81/14/359968114.db2.gz UYYFYMGBDYFYIM-JTQLQIEISA-N 1 2 231.303 1.544 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1 ZINC000088753596 359974895 /nfs/dbraw/zinc/97/48/95/359974895.db2.gz XICNXFASWJJJEH-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1 ZINC000088753596 359974898 /nfs/dbraw/zinc/97/48/98/359974898.db2.gz XICNXFASWJJJEH-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO COc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088753708 359975245 /nfs/dbraw/zinc/97/52/45/359975245.db2.gz BUIVVSKGRWJWFY-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO COc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088753708 359975249 /nfs/dbraw/zinc/97/52/49/359975249.db2.gz BUIVVSKGRWJWFY-UHFFFAOYSA-N 1 2 231.255 1.348 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088753272 359975857 /nfs/dbraw/zinc/97/58/57/359975857.db2.gz NYNOHRSOQLKRRC-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088753272 359975860 /nfs/dbraw/zinc/97/58/60/359975860.db2.gz NYNOHRSOQLKRRC-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)ncn1 ZINC000309217634 491146411 /nfs/dbraw/zinc/14/64/11/491146411.db2.gz UQOBWKYHOPKVAB-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO COC(=O)c1ccccc1NCc1c[nH+]cn1C ZINC000090165279 360060342 /nfs/dbraw/zinc/06/03/42/360060342.db2.gz UJNYLQKEZFKTCA-UHFFFAOYSA-N 1 2 245.282 1.819 20 0 BDADLO C[C@H]([NH2+][C@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000090579340 360079032 /nfs/dbraw/zinc/07/90/32/360079032.db2.gz UXXMHALTJWFHHA-GUBZILKMSA-N 1 2 229.320 1.484 20 0 BDADLO Cn1nccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000091917822 360136274 /nfs/dbraw/zinc/13/62/74/360136274.db2.gz BJXGAECGPPULAD-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1nccc1C[N@H+]1CCOC(C)(C)C1 ZINC000091917822 360136277 /nfs/dbraw/zinc/13/62/77/360136277.db2.gz BJXGAECGPPULAD-UHFFFAOYSA-N 1 2 209.293 1.031 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000612969521 360226529 /nfs/dbraw/zinc/22/65/29/360226529.db2.gz HYELMWUNQSOEAS-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO CC1(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000612969521 360226531 /nfs/dbraw/zinc/22/65/31/360226531.db2.gz HYELMWUNQSOEAS-SECBINFHSA-N 1 2 233.315 1.573 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613086040 360347846 /nfs/dbraw/zinc/34/78/46/360347846.db2.gz HORBCFDHDUKZHV-BBBLOLIVSA-N 1 2 232.283 1.584 20 0 BDADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000096643164 360351159 /nfs/dbraw/zinc/35/11/59/360351159.db2.gz MFSVKFUKEHDTSD-LBPRGKRZSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2cnccn2)oc1C ZINC000537842492 360399814 /nfs/dbraw/zinc/39/98/14/360399814.db2.gz WOFZTNSGNFRSDI-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2cnccn2)oc1C ZINC000537842492 360399822 /nfs/dbraw/zinc/39/98/22/360399822.db2.gz WOFZTNSGNFRSDI-UHFFFAOYSA-N 1 2 246.314 1.756 20 0 BDADLO CC(C)(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000096785850 360354846 /nfs/dbraw/zinc/35/48/46/360354846.db2.gz MFJSNNHZLXFMGB-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO CCO[C@@H]1C[C@H]1[NH2+]Cc1c(F)ccc(O)c1F ZINC000552024160 325588402 /nfs/dbraw/zinc/58/84/02/325588402.db2.gz HNOKTMCJHJTOHF-MWLCHTKSSA-N 1 2 243.253 1.937 20 0 BDADLO CCCCc1cc(NCc2[nH+]ccn2C)ncn1 ZINC000631099499 360402954 /nfs/dbraw/zinc/40/29/54/360402954.db2.gz LIWZBTRAWZKVGJ-UHFFFAOYSA-N 1 2 245.330 1.587 20 0 BDADLO CC(C)CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000083370273 360455059 /nfs/dbraw/zinc/45/50/59/360455059.db2.gz NTGIALZCHYXDIB-NSHDSACASA-N 1 2 242.269 1.737 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N2CC[C@@H](O)C2)[nH+]1 ZINC000631100010 360535549 /nfs/dbraw/zinc/53/55/49/360535549.db2.gz NXJCAWCRASQYKF-SECBINFHSA-N 1 2 246.314 1.652 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000631522137 360549240 /nfs/dbraw/zinc/54/92/40/360549240.db2.gz BSOIRYIKYGMWJA-UWVGGRQHSA-N 1 2 234.303 1.376 20 0 BDADLO O[C@H]1CCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000631522137 360549247 /nfs/dbraw/zinc/54/92/47/360549247.db2.gz BSOIRYIKYGMWJA-UWVGGRQHSA-N 1 2 234.303 1.376 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(Cl)s1 ZINC000061783008 360680431 /nfs/dbraw/zinc/68/04/31/360680431.db2.gz UUWZWOIFYZGGMQ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)s1 ZINC000061783008 360680435 /nfs/dbraw/zinc/68/04/35/360680435.db2.gz UUWZWOIFYZGGMQ-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO C[C@@H](CC(=O)N(C1CC1)C1CC1)n1cc[nH+]c1 ZINC000628813398 360663755 /nfs/dbraw/zinc/66/37/55/360663755.db2.gz QOFOTFWGWSWFEG-JTQLQIEISA-N 1 2 233.315 1.988 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912138 360744659 /nfs/dbraw/zinc/74/46/59/360744659.db2.gz BMUAPLUECVLYOD-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912138 360744660 /nfs/dbraw/zinc/74/46/60/360744660.db2.gz BMUAPLUECVLYOD-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(C)nc1)C(C)C ZINC000153761808 360777724 /nfs/dbraw/zinc/77/77/24/360777724.db2.gz HPVABDAUFXZOEO-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(C)nc1)C(C)C ZINC000153761808 360777729 /nfs/dbraw/zinc/77/77/29/360777729.db2.gz HPVABDAUFXZOEO-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO C/C=C/CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000629031702 360809370 /nfs/dbraw/zinc/80/93/70/360809370.db2.gz SOXDPUUNJBRTQF-PGLGOXFNSA-N 1 2 233.315 1.446 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000629049562 360845443 /nfs/dbraw/zinc/84/54/43/360845443.db2.gz CAYYZPTWVVDGSO-DDFAGTSDSA-N 1 2 233.315 1.884 20 0 BDADLO C[N@H+](CCC(F)(F)F)CC(=O)NCC1CC1 ZINC000064634899 360950455 /nfs/dbraw/zinc/95/04/55/360950455.db2.gz CKCWIPVTKBPNNK-UHFFFAOYSA-N 1 2 238.253 1.397 20 0 BDADLO C[N@@H+](CCC(F)(F)F)CC(=O)NCC1CC1 ZINC000064634899 360950458 /nfs/dbraw/zinc/95/04/58/360950458.db2.gz CKCWIPVTKBPNNK-UHFFFAOYSA-N 1 2 238.253 1.397 20 0 BDADLO C[C@@H](F)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000578983520 366685410 /nfs/dbraw/zinc/68/54/10/366685410.db2.gz VQGMUMBXSOKIRM-SECBINFHSA-N 1 2 226.299 1.404 20 0 BDADLO C[C@@H](F)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000578983520 366685417 /nfs/dbraw/zinc/68/54/17/366685417.db2.gz VQGMUMBXSOKIRM-SECBINFHSA-N 1 2 226.299 1.404 20 0 BDADLO CC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000169798378 361132326 /nfs/dbraw/zinc/13/23/26/361132326.db2.gz HPTKQDOJAPVMIO-VIFPVBQESA-N 1 2 221.304 1.360 20 0 BDADLO CC(C)(O)C(C)(C)[NH2+]Cc1nnsc1Cl ZINC000380171860 361185632 /nfs/dbraw/zinc/18/56/32/361185632.db2.gz DRWDCPZZCJCBHZ-UHFFFAOYSA-N 1 2 249.767 1.831 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@H](C)CO)n1 ZINC000158896303 361214184 /nfs/dbraw/zinc/21/41/84/361214184.db2.gz VOAYAUBXVUDTQT-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@H](C)CO)n1 ZINC000158896303 361214188 /nfs/dbraw/zinc/21/41/88/361214188.db2.gz VOAYAUBXVUDTQT-MRVPVSSYSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)(NC(=O)c1cc(F)c[nH]1)c1[nH]cc[nH+]1 ZINC000578995279 366689870 /nfs/dbraw/zinc/68/98/70/366689870.db2.gz HDXMWKGRYQWXJZ-UHFFFAOYSA-N 1 2 236.250 1.542 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C1CC1 ZINC000579002840 366692281 /nfs/dbraw/zinc/69/22/81/366692281.db2.gz UAVDJDNOWURTFM-RKDXNWHRSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C1CC1 ZINC000579002840 366692286 /nfs/dbraw/zinc/69/22/86/366692286.db2.gz UAVDJDNOWURTFM-RKDXNWHRSA-N 1 2 221.304 1.503 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640480597 361263600 /nfs/dbraw/zinc/26/36/00/361263600.db2.gz VRFISMGISXKINH-CABZTGNLSA-N 1 2 238.356 1.662 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cs1 ZINC000640480597 361263605 /nfs/dbraw/zinc/26/36/05/361263605.db2.gz VRFISMGISXKINH-CABZTGNLSA-N 1 2 238.356 1.662 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000640481723 361266742 /nfs/dbraw/zinc/26/67/42/361266742.db2.gz YAZPFCXTISMBNB-VIFPVBQESA-N 1 2 246.270 1.381 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486526 361272162 /nfs/dbraw/zinc/27/21/62/361272162.db2.gz YLSCSVNOFGRJIP-JQWIXIFHSA-N 1 2 221.304 1.031 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640486526 361272167 /nfs/dbraw/zinc/27/21/67/361272167.db2.gz YLSCSVNOFGRJIP-JQWIXIFHSA-N 1 2 221.304 1.031 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(C)ncn1 ZINC000428303988 201007135 /nfs/dbraw/zinc/00/71/35/201007135.db2.gz SCZUMCGIOYLOGK-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(C)ncn1 ZINC000428303988 201007137 /nfs/dbraw/zinc/00/71/37/201007137.db2.gz SCZUMCGIOYLOGK-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000426762791 201000144 /nfs/dbraw/zinc/00/01/44/201000144.db2.gz NOBQLMQOTVPRPZ-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C)cn1 ZINC000426762791 201000146 /nfs/dbraw/zinc/00/01/46/201000146.db2.gz NOBQLMQOTVPRPZ-CQSZACIVSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cnccn2)cn1 ZINC000428247828 201004301 /nfs/dbraw/zinc/00/43/01/201004301.db2.gz OKLPGIHXDGRWMI-NSHDSACASA-N 1 2 243.314 1.768 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cnccn2)cn1 ZINC000428247828 201004304 /nfs/dbraw/zinc/00/43/04/201004304.db2.gz OKLPGIHXDGRWMI-NSHDSACASA-N 1 2 243.314 1.768 20 0 BDADLO CNC(=O)C[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000428293081 201005491 /nfs/dbraw/zinc/00/54/91/201005491.db2.gz FNNMJBLMDULSQQ-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000428293081 201005493 /nfs/dbraw/zinc/00/54/93/201005493.db2.gz FNNMJBLMDULSQQ-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000428436145 201015766 /nfs/dbraw/zinc/01/57/66/201015766.db2.gz HEULLOACAAZFQP-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000428436145 201015768 /nfs/dbraw/zinc/01/57/68/201015768.db2.gz HEULLOACAAZFQP-LLVKDONJSA-N 1 2 245.273 1.625 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC2(O)CCC2)[nH]1 ZINC000428424229 201015800 /nfs/dbraw/zinc/01/58/00/201015800.db2.gz ADLWHJPVVGGHNA-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC2(O)CCC2)[nH]1 ZINC000428424229 201015803 /nfs/dbraw/zinc/01/58/03/201015803.db2.gz ADLWHJPVVGGHNA-UHFFFAOYSA-N 1 2 238.335 1.275 20 0 BDADLO Cc1nnc(C[NH2+]C(C)(C)c2ccc(C)nc2)[nH]1 ZINC000428437527 201016702 /nfs/dbraw/zinc/01/67/02/201016702.db2.gz LIQQWUQKFOSCKC-UHFFFAOYSA-N 1 2 245.330 1.841 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C(C)C)[nH]1 ZINC000428440160 201017341 /nfs/dbraw/zinc/01/73/41/201017341.db2.gz DDSNTJYUNSZYMT-UHFFFAOYSA-N 1 2 226.324 1.396 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C(C)C)[nH]1 ZINC000428440160 201017344 /nfs/dbraw/zinc/01/73/44/201017344.db2.gz DDSNTJYUNSZYMT-UHFFFAOYSA-N 1 2 226.324 1.396 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1cocn1 ZINC000428558381 201027464 /nfs/dbraw/zinc/02/74/64/201027464.db2.gz HGLQHSMQOFUITI-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(C)(F)C1 ZINC000614238254 363754571 /nfs/dbraw/zinc/75/45/71/363754571.db2.gz NSISAKFRNKVTOQ-RKDXNWHRSA-N 1 2 237.278 1.094 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)[nH]1 ZINC000622063007 370686823 /nfs/dbraw/zinc/68/68/23/370686823.db2.gz ZLSOHYWYDRNEDN-SSDOTTSWSA-N 1 2 233.275 1.241 20 0 BDADLO OCCOc1ccccc1C[NH2+]Cc1cocn1 ZINC000428866620 201044823 /nfs/dbraw/zinc/04/48/23/201044823.db2.gz JYMSNCMGSNSOKC-UHFFFAOYSA-N 1 2 248.282 1.336 20 0 BDADLO CC(C)(O)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276377 363768057 /nfs/dbraw/zinc/76/80/57/363768057.db2.gz UQHHLPJZEWSYMV-UHFFFAOYSA-N 1 2 247.298 1.824 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000428967457 201055887 /nfs/dbraw/zinc/05/58/87/201055887.db2.gz XPGZDPWFTHJBHG-CMPLNLGQSA-N 1 2 239.294 1.252 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000428967457 201055889 /nfs/dbraw/zinc/05/58/89/201055889.db2.gz XPGZDPWFTHJBHG-CMPLNLGQSA-N 1 2 239.294 1.252 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C2(CO)CCC2)o1 ZINC000429253856 201086769 /nfs/dbraw/zinc/08/67/69/201086769.db2.gz LPTHDGHMSKLAGU-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C2(CO)CCC2)o1 ZINC000429253856 201086771 /nfs/dbraw/zinc/08/67/71/201086771.db2.gz LPTHDGHMSKLAGU-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO OC1CN(c2cc3ccccc3c[nH+]2)C1 ZINC000631095576 361390844 /nfs/dbraw/zinc/39/08/44/361390844.db2.gz IMRLRKMTVRQBRB-UHFFFAOYSA-N 1 2 200.241 1.416 20 0 BDADLO Cc1nnc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)s1 ZINC000429296847 201097019 /nfs/dbraw/zinc/09/70/19/201097019.db2.gz XNMQKKMNPRUJHO-DIYOJNKTSA-N 1 2 241.360 1.580 20 0 BDADLO Cc1nnc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)s1 ZINC000429296847 201097021 /nfs/dbraw/zinc/09/70/21/201097021.db2.gz XNMQKKMNPRUJHO-DIYOJNKTSA-N 1 2 241.360 1.580 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H]1c1ncon1 ZINC000579374179 366774112 /nfs/dbraw/zinc/77/41/12/366774112.db2.gz NEWSRYNEHFXILY-JTQLQIEISA-N 1 2 245.286 1.818 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(COC)o1 ZINC000430169842 201149341 /nfs/dbraw/zinc/14/93/41/201149341.db2.gz UFGVKILMAJJLEA-UHFFFAOYSA-N 1 2 240.303 1.123 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(COC)o1 ZINC000430169842 201149344 /nfs/dbraw/zinc/14/93/44/201149344.db2.gz UFGVKILMAJJLEA-UHFFFAOYSA-N 1 2 240.303 1.123 20 0 BDADLO Fc1ccccc1CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000433253311 201172909 /nfs/dbraw/zinc/17/29/09/201172909.db2.gz FFGOAONBMPPRFP-UHFFFAOYSA-N 1 2 246.289 1.545 20 0 BDADLO Fc1ccccc1CC[N@H+]1CCc2n[nH]nc2C1 ZINC000433253311 201172913 /nfs/dbraw/zinc/17/29/13/201172913.db2.gz FFGOAONBMPPRFP-UHFFFAOYSA-N 1 2 246.289 1.545 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@H]2CCCO2)no1 ZINC000381590460 361496637 /nfs/dbraw/zinc/49/66/37/361496637.db2.gz JFUWXMLEORWMGC-SECBINFHSA-N 1 2 225.292 1.382 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579480705 366826290 /nfs/dbraw/zinc/82/62/90/366826290.db2.gz WIGODBSXEFGINS-HBNTYKKESA-N 1 2 239.319 1.374 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579480704 366827032 /nfs/dbraw/zinc/82/70/32/366827032.db2.gz WIGODBSXEFGINS-GMTAPVOTSA-N 1 2 239.319 1.374 20 0 BDADLO CCC[C@](C)(O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433799325 201192972 /nfs/dbraw/zinc/19/29/72/201192972.db2.gz QMXUBZUTJHPDTE-ZDUSSCGKSA-N 1 2 248.330 1.651 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCCO[C@@H](C)C2)[nH+]1 ZINC000433774866 201193166 /nfs/dbraw/zinc/19/31/66/201193166.db2.gz QDYUXXTWGWVPJI-VIFPVBQESA-N 1 2 246.314 1.882 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433799033 201193736 /nfs/dbraw/zinc/19/37/36/201193736.db2.gz NNBDBNPJXYIYNB-KWQFWETISA-N 1 2 248.330 1.507 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)[C@@H]2CCOC2)[nH+]1 ZINC000433784720 201194175 /nfs/dbraw/zinc/19/41/75/201194175.db2.gz FKHYNKJOLNLFNV-SECBINFHSA-N 1 2 232.287 1.491 20 0 BDADLO CCc1cc(N[C@H](CO)CC2CC2)nc[nH+]1 ZINC000309976706 491159197 /nfs/dbraw/zinc/15/91/97/491159197.db2.gz TWZFHLSPNPCHGP-NSHDSACASA-N 1 2 221.304 1.612 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000154165098 201266191 /nfs/dbraw/zinc/26/61/91/201266191.db2.gz OXPLFVGEUPSVSJ-MRVPVSSYSA-N 1 2 226.349 1.588 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1nsc(N(C)C)n1 ZINC000154165098 201266193 /nfs/dbraw/zinc/26/61/93/201266193.db2.gz OXPLFVGEUPSVSJ-MRVPVSSYSA-N 1 2 226.349 1.588 20 0 BDADLO CC(C)c1nc(NCc2nccc(N)n2)cc[nH+]1 ZINC000154284648 201272739 /nfs/dbraw/zinc/27/27/39/201272739.db2.gz ZNZMOQIBVCVICF-UHFFFAOYSA-N 1 2 244.302 1.584 20 0 BDADLO Cc1cc(NCCF)nc(-c2ccncc2)[nH+]1 ZINC000435596195 201276645 /nfs/dbraw/zinc/27/66/45/201276645.db2.gz XHIDMJXRKCKQII-UHFFFAOYSA-N 1 2 232.262 1.650 20 0 BDADLO Cc1c(-c2ccc(N[C@@H](C)CO)[nH+]c2)cnn1C ZINC000629730119 361668469 /nfs/dbraw/zinc/66/84/69/361668469.db2.gz AGUZTDOMGSZZHB-VIFPVBQESA-N 1 2 246.314 1.583 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000155109635 201301392 /nfs/dbraw/zinc/30/13/92/201301392.db2.gz STDNBVCESAVEJX-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000155109635 201301396 /nfs/dbraw/zinc/30/13/96/201301396.db2.gz STDNBVCESAVEJX-UHFFFAOYSA-N 1 2 249.358 1.690 20 0 BDADLO CC(C)c1nc(N[C@H](C)c2ncn(C)n2)cc[nH+]1 ZINC000436412552 201324569 /nfs/dbraw/zinc/32/45/69/201324569.db2.gz GRSFDVQVBGNNCY-SECBINFHSA-N 1 2 246.318 1.324 20 0 BDADLO CCCNC(=O)[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000155503774 201336973 /nfs/dbraw/zinc/33/69/73/201336973.db2.gz PCYBGAQGPIVQBI-NSHDSACASA-N 1 2 232.327 1.917 20 0 BDADLO Cc1conc1NC(=O)CCCn1cc[nH+]c1 ZINC000123894300 541318604 /nfs/dbraw/zinc/31/86/04/541318604.db2.gz ANHGDWLNSAFJDU-UHFFFAOYSA-N 1 2 234.259 1.598 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614801006 363979796 /nfs/dbraw/zinc/97/97/96/363979796.db2.gz ZXNYHOQDKHNRBZ-DBIOUOCHSA-N 1 2 233.315 1.438 20 0 BDADLO CCO[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000622081811 370698488 /nfs/dbraw/zinc/69/84/88/370698488.db2.gz CVXNZZOZVRQBBA-VHSXEESVSA-N 1 2 239.319 1.505 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCn2ccnc21)[C@H](O)C(F)(F)F ZINC000631716160 364089051 /nfs/dbraw/zinc/08/90/51/364089051.db2.gz JBGOKKDLXDPKJY-RNJXMRFFSA-N 1 2 249.236 1.229 20 0 BDADLO Cc1nc(C)c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)[nH]1 ZINC000622091391 370704777 /nfs/dbraw/zinc/70/47/77/370704777.db2.gz LXVYJRSRYVUDAG-UHFFFAOYSA-N 1 2 247.302 1.415 20 0 BDADLO Cn1ccnc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622103882 370711171 /nfs/dbraw/zinc/71/11/71/370711171.db2.gz HISDBHHXRMULHK-UHFFFAOYSA-N 1 2 233.275 1.060 20 0 BDADLO Cn1ccnc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000622103882 370711174 /nfs/dbraw/zinc/71/11/74/370711174.db2.gz HISDBHHXRMULHK-UHFFFAOYSA-N 1 2 233.275 1.060 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@@H]2CC2(F)F)c[nH+]1 ZINC000622200511 370761333 /nfs/dbraw/zinc/76/13/33/370761333.db2.gz RFRJPNNQEYHMLY-SSDOTTSWSA-N 1 2 229.230 1.493 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(F)ccn1 ZINC000622152792 370738948 /nfs/dbraw/zinc/73/89/48/370738948.db2.gz VTXYKQPTIATERR-UHFFFAOYSA-N 1 2 248.261 1.526 20 0 BDADLO O=C(CCCCO)NCc1cn2ccccc2[nH+]1 ZINC000630499318 364188554 /nfs/dbraw/zinc/18/85/54/364188554.db2.gz XSARSMASAFOZFY-UHFFFAOYSA-N 1 2 247.298 1.113 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC1(F)F ZINC000622196726 370758060 /nfs/dbraw/zinc/75/80/60/370758060.db2.gz PIMCLIYGTWRRRV-QMMMGPOBSA-N 1 2 243.257 1.124 20 0 BDADLO c1cn(Cc2cn(C[C@@H]3CCCCO3)nn2)c[nH+]1 ZINC000630610076 364340575 /nfs/dbraw/zinc/34/05/75/364340575.db2.gz XHFRTPQFYZGIMB-LBPRGKRZSA-N 1 2 247.302 1.092 20 0 BDADLO COC(=O)[C@H]1COCC[N@@H+]1CCC(C)(C)C ZINC000135552108 364445193 /nfs/dbraw/zinc/44/51/93/364445193.db2.gz UWDPORGXRSQRJI-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)[C@H]1COCC[N@H+]1CCC(C)(C)C ZINC000135552108 364445202 /nfs/dbraw/zinc/44/52/02/364445202.db2.gz UWDPORGXRSQRJI-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+]C[C@H](O)CC)no1 ZINC000644651103 541367316 /nfs/dbraw/zinc/36/73/16/541367316.db2.gz QNIOBXAGXLOFHZ-DTWKUNHWSA-N 1 2 243.307 1.028 20 0 BDADLO C[C@@H](F)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000551981308 364608896 /nfs/dbraw/zinc/60/88/96/364608896.db2.gz ODSLYXXGJDAMAM-BDAKNGLRSA-N 1 2 213.256 1.955 20 0 BDADLO C[C@@H](F)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000551981308 364608900 /nfs/dbraw/zinc/60/89/00/364608900.db2.gz ODSLYXXGJDAMAM-BDAKNGLRSA-N 1 2 213.256 1.955 20 0 BDADLO COc1cc(NCc2c[nH+]cn2C)cnc1OC ZINC000623632620 364677596 /nfs/dbraw/zinc/67/75/96/364677596.db2.gz HNBYMBAFTPVVFF-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO CC1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000622237680 370783810 /nfs/dbraw/zinc/78/38/10/370783810.db2.gz MFWGCONOHAJJSY-MCIGGMRASA-N 1 2 247.342 1.608 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615354435 364711405 /nfs/dbraw/zinc/71/14/05/364711405.db2.gz OUEHEUNKYCACFN-BDAKNGLRSA-N 1 2 239.294 1.379 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615354435 364711408 /nfs/dbraw/zinc/71/14/08/364711408.db2.gz OUEHEUNKYCACFN-BDAKNGLRSA-N 1 2 239.294 1.379 20 0 BDADLO CC1(C)C[N@H+](Cc2cscn2)CC[C@H]1O ZINC000275412962 364758564 /nfs/dbraw/zinc/75/85/64/364758564.db2.gz GKIIBDHKNVILIL-SNVBAGLBSA-N 1 2 226.345 1.736 20 0 BDADLO CC1(C)C[N@@H+](Cc2cscn2)CC[C@H]1O ZINC000275412962 364758573 /nfs/dbraw/zinc/75/85/73/364758573.db2.gz GKIIBDHKNVILIL-SNVBAGLBSA-N 1 2 226.345 1.736 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCC[C@H]1O ZINC000573386280 364821208 /nfs/dbraw/zinc/82/12/08/364821208.db2.gz XXTAJQAFVDXVAE-WDEREUQCSA-N 1 2 221.304 1.088 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ncccn1 ZINC000573590953 364870237 /nfs/dbraw/zinc/87/02/37/364870237.db2.gz KRTXMXWFMNEREX-CYBMUJFWSA-N 1 2 243.310 1.608 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC1(C)C ZINC000573624443 364878040 /nfs/dbraw/zinc/87/80/40/364878040.db2.gz XLLPBSYUXOEHDZ-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC1(C)C ZINC000573624443 364878047 /nfs/dbraw/zinc/87/80/47/364878047.db2.gz XLLPBSYUXOEHDZ-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)O ZINC000573733418 364905055 /nfs/dbraw/zinc/90/50/55/364905055.db2.gz IDMRKUFYODSXCV-VWYCJHECSA-N 1 2 239.319 1.110 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1cccnc1 ZINC000573886986 364938761 /nfs/dbraw/zinc/93/87/61/364938761.db2.gz QMSPTQFNNHOZPA-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000573895531 364939795 /nfs/dbraw/zinc/93/97/95/364939795.db2.gz UIGJDRYLDRWRMW-BBBLOLIVSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000573895531 364939798 /nfs/dbraw/zinc/93/97/98/364939798.db2.gz UIGJDRYLDRWRMW-BBBLOLIVSA-N 1 2 215.293 1.047 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cccc(F)c1 ZINC000336015271 541424360 /nfs/dbraw/zinc/42/43/60/541424360.db2.gz RRZANMIRGQXJSN-UHFFFAOYSA-N 1 2 233.246 1.489 20 0 BDADLO CCOC1CC(C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000574054269 364978310 /nfs/dbraw/zinc/97/83/10/364978310.db2.gz VZIXZSHAGIVCHH-XNWIYYODSA-N 1 2 237.303 1.402 20 0 BDADLO Cc1nnc(NCCc2cccc(C)[nH+]2)o1 ZINC000287897510 541448793 /nfs/dbraw/zinc/44/87/93/541448793.db2.gz VEVLGJVZHHXYKS-UHFFFAOYSA-N 1 2 218.260 1.736 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cc(C)nn2C)cn1 ZINC000574384654 365048288 /nfs/dbraw/zinc/04/82/88/365048288.db2.gz YFHUAVJEQWWMSI-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cc(C)nn2C)cn1 ZINC000574384654 365048293 /nfs/dbraw/zinc/04/82/93/365048293.db2.gz YFHUAVJEQWWMSI-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO Cc1[nH]c(C(=O)NCC2CC(C)(C)C2)c[nH+]1 ZINC000574390315 365049950 /nfs/dbraw/zinc/04/99/50/365049950.db2.gz TYAMPZYGJCJJOK-UHFFFAOYSA-N 1 2 221.304 1.884 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CCC(C)C ZINC000574393052 365051461 /nfs/dbraw/zinc/05/14/61/365051461.db2.gz OIBOLOSWICWZGU-LBPRGKRZSA-N 1 2 225.336 1.605 20 0 BDADLO CO[C@H]1CCC[C@H]1CNc1nc(C)[nH+]cc1C ZINC000574290734 365030756 /nfs/dbraw/zinc/03/07/56/365030756.db2.gz OTJDJYHIVRINPO-RYUDHWBXSA-N 1 2 235.331 1.742 20 0 BDADLO CC[C@H]1CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000574329185 365038706 /nfs/dbraw/zinc/03/87/06/365038706.db2.gz BBCIXHYEVMWDEW-QWRGUYRKSA-N 1 2 221.304 1.845 20 0 BDADLO Cc1ccc(NC(=O)CCCCO)c(C)[nH+]1 ZINC000094667174 541451579 /nfs/dbraw/zinc/45/15/79/541451579.db2.gz FFPKWKRVJMISNR-UHFFFAOYSA-N 1 2 222.288 1.800 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nnc(C(F)F)o1 ZINC000574825507 365155449 /nfs/dbraw/zinc/15/54/49/365155449.db2.gz IEHZYVQRYISUEQ-UHFFFAOYSA-N 1 2 229.190 1.367 20 0 BDADLO Cc1[nH+]ccn1CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000574830682 365155506 /nfs/dbraw/zinc/15/55/06/365155506.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 2 248.374 1.360 20 0 BDADLO Cc1[nH+]ccn1CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000574830682 365155512 /nfs/dbraw/zinc/15/55/12/365155512.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 2 248.374 1.360 20 0 BDADLO Cc1[nH+]ccn1CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000574830682 365155518 /nfs/dbraw/zinc/15/55/18/365155518.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 2 248.374 1.360 20 0 BDADLO Cc1[nH+]ccn1CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000574830682 365155520 /nfs/dbraw/zinc/15/55/20/365155520.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 2 248.374 1.360 20 0 BDADLO CC(F)(F)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000574834054 365156365 /nfs/dbraw/zinc/15/63/65/365156365.db2.gz YEHBUHMFXXDLDJ-UHFFFAOYSA-N 1 2 239.225 1.719 20 0 BDADLO c1cnc(C[N@@H+]2CCOCC23CCCC3)cn1 ZINC000574855993 365161103 /nfs/dbraw/zinc/16/11/03/365161103.db2.gz YSJQHNWTKXKQFF-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO c1cnc(C[N@H+]2CCOCC23CCCC3)cn1 ZINC000574855993 365161105 /nfs/dbraw/zinc/16/11/05/365161105.db2.gz YSJQHNWTKXKQFF-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC1(C)C ZINC000574767151 365140001 /nfs/dbraw/zinc/14/00/01/365140001.db2.gz BMWVLSCDVPAWOO-SCZZXKLOSA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC1(C)C ZINC000574767151 365140008 /nfs/dbraw/zinc/14/00/08/365140008.db2.gz BMWVLSCDVPAWOO-SCZZXKLOSA-N 1 2 221.304 1.503 20 0 BDADLO CC[C@H](F)CS(=O)(=O)Cc1[nH+]ccn1CC ZINC000443055172 193010849 /nfs/dbraw/zinc/01/08/49/193010849.db2.gz FATZIHNUCAGUEQ-VIFPVBQESA-N 1 2 248.323 1.566 20 0 BDADLO COC[C@@H]([NH2+]Cc1cncnc1)c1ccco1 ZINC000344832208 541453987 /nfs/dbraw/zinc/45/39/87/541453987.db2.gz OKZHCCXNNHXEKO-LLVKDONJSA-N 1 2 233.271 1.547 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccnc2)C(C)(C)C1 ZINC000182203578 366874922 /nfs/dbraw/zinc/87/49/22/366874922.db2.gz XSDHKSBMAOONRN-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccnc2)C(C)(C)C1 ZINC000182203578 366874923 /nfs/dbraw/zinc/87/49/23/366874923.db2.gz XSDHKSBMAOONRN-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579610035 366907611 /nfs/dbraw/zinc/90/76/11/366907611.db2.gz PLLLAQKKNIWNEM-IVZWLZJFSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579610035 366907617 /nfs/dbraw/zinc/90/76/17/366907617.db2.gz PLLLAQKKNIWNEM-IVZWLZJFSA-N 1 2 239.319 1.128 20 0 BDADLO Cc1cc(C)c(NC(=O)c2ccnn2C)c(C)[nH+]1 ZINC000195226794 541470038 /nfs/dbraw/zinc/47/00/38/541470038.db2.gz DNJSIUHCIYGOGO-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO C[NH+](C)Cc1nc(Cc2cncs2)no1 ZINC000350472091 541473943 /nfs/dbraw/zinc/47/39/43/541473943.db2.gz HZDYEPBVFSYLOH-UHFFFAOYSA-N 1 2 224.289 1.179 20 0 BDADLO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1noc(CC)n1 ZINC000579843404 367045363 /nfs/dbraw/zinc/04/53/63/367045363.db2.gz FSKISYVOZCSJHK-ZJUUUORDSA-N 1 2 241.335 1.519 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCC(F)(F)F)o1 ZINC000380333530 367183967 /nfs/dbraw/zinc/18/39/67/367183967.db2.gz PDQXWVCOLVBPFY-RXMQYKEDSA-N 1 2 223.198 1.981 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC1(F)F ZINC000622309385 370836685 /nfs/dbraw/zinc/83/66/85/370836685.db2.gz OXZWFPCCMQADSE-YUMQZZPRSA-N 1 2 229.230 1.043 20 0 BDADLO CCC[C@@H](OC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000622284260 370821845 /nfs/dbraw/zinc/82/18/45/370821845.db2.gz VTKRSNNSLFNSCG-SNVBAGLBSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1nc(N[C@@H]([C@H](CO)C2CC2)C2CC2)cc[nH+]1 ZINC000580755286 367156108 /nfs/dbraw/zinc/15/61/08/367156108.db2.gz RXYAIRXICZTLPW-TZMCWYRMSA-N 1 2 247.342 1.994 20 0 BDADLO CCc1ncc(CNCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000580784924 367166505 /nfs/dbraw/zinc/16/65/05/367166505.db2.gz HPUCKRKGRYCGLP-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000580956270 367216936 /nfs/dbraw/zinc/21/69/36/367216936.db2.gz PHNAQJVCTBKHEO-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCC[C@@H](F)C1 ZINC000580956270 367216942 /nfs/dbraw/zinc/21/69/42/367216942.db2.gz PHNAQJVCTBKHEO-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO CCNC(=O)N1CC[NH+](C[C@@H](F)CC)CC1 ZINC000440698687 201506162 /nfs/dbraw/zinc/50/61/62/201506162.db2.gz ZPZMVXICGAJMFK-JTQLQIEISA-N 1 2 231.315 1.082 20 0 BDADLO Cc1nnsc1C[N@H+](C)CCOCC1CC1 ZINC000581074760 367255079 /nfs/dbraw/zinc/25/50/79/367255079.db2.gz PNBWMABLFUAWIA-UHFFFAOYSA-N 1 2 241.360 1.705 20 0 BDADLO Cc1nnsc1C[N@@H+](C)CCOCC1CC1 ZINC000581074760 367255086 /nfs/dbraw/zinc/25/50/86/367255086.db2.gz PNBWMABLFUAWIA-UHFFFAOYSA-N 1 2 241.360 1.705 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1Cc2ccccc2C1 ZINC000581343246 367357819 /nfs/dbraw/zinc/35/78/19/367357819.db2.gz IARFHSOSMVINQU-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO c1nc(C[NH2+][C@H]2CCc3cn[nH]c3C2)co1 ZINC000381445825 367404878 /nfs/dbraw/zinc/40/48/78/367404878.db2.gz FSBQHCFGJLNUMM-VIFPVBQESA-N 1 2 218.260 1.045 20 0 BDADLO CC[C@](C)(CO)C(=O)Nc1cc[nH+]cc1C ZINC000581378796 367410637 /nfs/dbraw/zinc/41/06/37/367410637.db2.gz UDVGXYKZFXZSQW-GFCCVEGCSA-N 1 2 222.288 1.159 20 0 BDADLO CCc1nsc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382443065 367525170 /nfs/dbraw/zinc/52/51/70/367525170.db2.gz HCYYPVYBDZXYGR-YUMQZZPRSA-N 1 2 226.349 1.062 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2ccn(C)n2)o1 ZINC000383205770 367606473 /nfs/dbraw/zinc/60/64/73/367606473.db2.gz WLJZUODFYYMODY-UHFFFAOYSA-N 1 2 234.303 1.569 20 0 BDADLO CCCc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)no1 ZINC000622361740 370868428 /nfs/dbraw/zinc/86/84/28/370868428.db2.gz TXQBRLLEXFGXNG-UHFFFAOYSA-N 1 2 248.286 1.622 20 0 BDADLO O=C(Cc1ccc(O)c(F)c1)NCc1c[nH+]c[nH]1 ZINC000622384980 370883521 /nfs/dbraw/zinc/88/35/21/370883521.db2.gz ZBBLHGWPWSVVNA-UHFFFAOYSA-N 1 2 249.245 1.113 20 0 BDADLO O=C(Cc1ccc(O)c(F)c1)NCc1c[nH]c[nH+]1 ZINC000622384980 370883527 /nfs/dbraw/zinc/88/35/27/370883527.db2.gz ZBBLHGWPWSVVNA-UHFFFAOYSA-N 1 2 249.245 1.113 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000385724326 367858894 /nfs/dbraw/zinc/85/88/94/367858894.db2.gz SPPHNTWVWCMPQX-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000385724326 367858900 /nfs/dbraw/zinc/85/89/00/367858900.db2.gz SPPHNTWVWCMPQX-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000581820841 367831415 /nfs/dbraw/zinc/83/14/15/367831415.db2.gz YRWVELWUGPEYBA-KKZNHRDASA-N 1 2 239.344 1.710 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000581820841 367831420 /nfs/dbraw/zinc/83/14/20/367831420.db2.gz YRWVELWUGPEYBA-KKZNHRDASA-N 1 2 239.344 1.710 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]C[C@@H](CC)OC)C(=O)OC ZINC000386122741 367916142 /nfs/dbraw/zinc/91/61/42/367916142.db2.gz NHOMQLZPYUNQAO-GMTAPVOTSA-N 1 2 231.336 1.589 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1N(C)C ZINC000075685495 367943419 /nfs/dbraw/zinc/94/34/19/367943419.db2.gz CLTZJOXPDGQVIH-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1N(C)C ZINC000075685495 367943423 /nfs/dbraw/zinc/94/34/23/367943423.db2.gz CLTZJOXPDGQVIH-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cccnc1 ZINC000019459594 367965539 /nfs/dbraw/zinc/96/55/39/367965539.db2.gz AGQQWAOAIXBBLC-NSHDSACASA-N 1 2 244.298 1.546 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@H](C)[C@@H]2C)nc(N)[nH+]1 ZINC000399505748 368170852 /nfs/dbraw/zinc/17/08/52/368170852.db2.gz JAXJORBGVJXHAR-FXQIFTODSA-N 1 2 221.308 1.073 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)[C@H](C)[C@@H]2C)[nH+]1 ZINC000399505748 368170857 /nfs/dbraw/zinc/17/08/57/368170857.db2.gz JAXJORBGVJXHAR-FXQIFTODSA-N 1 2 221.308 1.073 20 0 BDADLO CCn1c[nH+]cc1CNc1ncc2c(n1)COC2 ZINC000630957111 368153584 /nfs/dbraw/zinc/15/35/84/368153584.db2.gz JMDXIIIVAHUHBA-UHFFFAOYSA-N 1 2 245.286 1.335 20 0 BDADLO C[C@@H](NC(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000043783783 368406342 /nfs/dbraw/zinc/40/63/42/368406342.db2.gz MZDMNWIVMLUJFX-SNVBAGLBSA-N 1 2 248.330 1.591 20 0 BDADLO O=C(NC1CC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047608829 368465366 /nfs/dbraw/zinc/46/53/66/368465366.db2.gz RSZFRSDQPGPDHF-NSHDSACASA-N 1 2 245.326 1.577 20 0 BDADLO COc1c(C)c[nH+]c(CN(C)C(C)=O)c1C ZINC000058958676 368527271 /nfs/dbraw/zinc/52/72/71/368527271.db2.gz KIWYYNVPEDUACI-UHFFFAOYSA-N 1 2 222.288 1.685 20 0 BDADLO CCCN(CCC)C(=O)C[N@@H+]1CCO[C@H](C)C1 ZINC000058474721 368511838 /nfs/dbraw/zinc/51/18/38/368511838.db2.gz SYRHZSDPOWRBRQ-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCN(CCC)C(=O)C[N@H+]1CCO[C@H](C)C1 ZINC000058474721 368511846 /nfs/dbraw/zinc/51/18/46/368511846.db2.gz SYRHZSDPOWRBRQ-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCC(=O)NCCNc1cccc[nH+]1 ZINC000063707313 368593895 /nfs/dbraw/zinc/59/38/95/368593895.db2.gz VNNKBPSLPZZNMJ-UHFFFAOYSA-N 1 2 207.277 1.410 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccnc1 ZINC000456334820 202936661 /nfs/dbraw/zinc/93/66/61/202936661.db2.gz ABYVTBQUVZMZSN-JTQLQIEISA-N 1 2 244.298 1.789 20 0 BDADLO CC/C=C\CNC(=O)NCCCn1cc[nH+]c1 ZINC000457379809 203051477 /nfs/dbraw/zinc/05/14/77/203051477.db2.gz FTYASIIPDHAQAO-ARJAWSKDSA-N 1 2 236.319 1.539 20 0 BDADLO CCOC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069611044 368756617 /nfs/dbraw/zinc/75/66/17/368756617.db2.gz YXSRRSMENVBVRY-UHFFFAOYSA-N 1 2 248.326 1.502 20 0 BDADLO CCOC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000069611044 368756621 /nfs/dbraw/zinc/75/66/21/368756621.db2.gz YXSRRSMENVBVRY-UHFFFAOYSA-N 1 2 248.326 1.502 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000074219336 368833691 /nfs/dbraw/zinc/83/36/91/368833691.db2.gz IJQWXAIVJHWJNC-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCF ZINC000615960430 368792226 /nfs/dbraw/zinc/79/22/26/368792226.db2.gz KSUSFWSYMDTVIU-VIFPVBQESA-N 1 2 227.283 1.830 20 0 BDADLO C[C@H]1C[C@H](NC(=O)CCCF)c2[nH+]ccn21 ZINC000615962705 368797570 /nfs/dbraw/zinc/79/75/70/368797570.db2.gz GPZXRVWKQFHHGU-IUCAKERBSA-N 1 2 225.267 1.755 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccoc2)c[nH+]1 ZINC000618476456 369154606 /nfs/dbraw/zinc/15/46/06/369154606.db2.gz RLSOHVCBVZYYEB-UHFFFAOYSA-N 1 2 219.244 1.284 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618496261 369157767 /nfs/dbraw/zinc/15/77/67/369157767.db2.gz CPAAOJGQRUZYPP-WOPDTQHZSA-N 1 2 247.342 1.813 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000618496261 369157777 /nfs/dbraw/zinc/15/77/77/369157777.db2.gz CPAAOJGQRUZYPP-WOPDTQHZSA-N 1 2 247.342 1.813 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855325 203113784 /nfs/dbraw/zinc/11/37/84/203113784.db2.gz KWWVZXZMFIOKQW-MNOVXSKESA-N 1 2 237.347 1.761 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC2(C)C)c1 ZINC000458019434 203126655 /nfs/dbraw/zinc/12/66/55/203126655.db2.gz UTGODCWWVDBPHK-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO CCC1(NC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000459143724 203235791 /nfs/dbraw/zinc/23/57/91/203235791.db2.gz DCBVVRIODQXXTI-UHFFFAOYSA-N 1 2 236.319 1.204 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)C[C@H](C)O1 ZINC000459284648 203247448 /nfs/dbraw/zinc/24/74/48/203247448.db2.gz TXKUXLOHDHUOBG-PHIMTYICSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(C3CC3)nc2)C[C@H](C)O1 ZINC000459284648 203247451 /nfs/dbraw/zinc/24/74/51/203247451.db2.gz TXKUXLOHDHUOBG-PHIMTYICSA-N 1 2 247.342 1.963 20 0 BDADLO C(C[NH+]1CCOCC1)OCC1CCCC1 ZINC000459287135 203247680 /nfs/dbraw/zinc/24/76/80/203247680.db2.gz DZXVIQPBIPRWPW-UHFFFAOYSA-N 1 2 213.321 1.525 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459301313 203250095 /nfs/dbraw/zinc/25/00/95/203250095.db2.gz CRGIQCPBTRZYGZ-ZDUSSCGKSA-N 1 2 247.342 1.965 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459301313 203250099 /nfs/dbraw/zinc/25/00/99/203250099.db2.gz CRGIQCPBTRZYGZ-ZDUSSCGKSA-N 1 2 247.342 1.965 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc(C3CC3)nc2)[C@@H](C)CO1 ZINC000459299261 203251434 /nfs/dbraw/zinc/25/14/34/203251434.db2.gz JMAJVKDRNSTSGN-QWRGUYRKSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)[C@@H](C)CO1 ZINC000459299261 203251437 /nfs/dbraw/zinc/25/14/37/203251437.db2.gz JMAJVKDRNSTSGN-QWRGUYRKSA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459318891 203254323 /nfs/dbraw/zinc/25/43/23/203254323.db2.gz WEIVJBUCEIMSQW-SNVBAGLBSA-N 1 2 233.315 1.575 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)CCO1 ZINC000459318891 203254327 /nfs/dbraw/zinc/25/43/27/203254327.db2.gz WEIVJBUCEIMSQW-SNVBAGLBSA-N 1 2 233.315 1.575 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)no1 ZINC000459345930 203265883 /nfs/dbraw/zinc/26/58/83/203265883.db2.gz KECBEQACSOFFGF-SKDRFNHKSA-N 1 2 222.288 1.805 20 0 BDADLO COCc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)no1 ZINC000459345930 203265887 /nfs/dbraw/zinc/26/58/87/203265887.db2.gz KECBEQACSOFFGF-SKDRFNHKSA-N 1 2 222.288 1.805 20 0 BDADLO CCOCCOC1C[NH+](CC2=CCCOC2)C1 ZINC000459459923 203285801 /nfs/dbraw/zinc/28/58/01/203285801.db2.gz KWEGSXAUFQLVLW-UHFFFAOYSA-N 1 2 241.331 1.070 20 0 BDADLO FC(F)COC1C[NH+](CC2=CCCOC2)C1 ZINC000459596086 203311841 /nfs/dbraw/zinc/31/18/41/203311841.db2.gz SOKXZDRVAJULDU-UHFFFAOYSA-N 1 2 233.258 1.299 20 0 BDADLO CCCCC[NH2+][C@](CC)(COC)C(=O)OC ZINC000459553488 203297566 /nfs/dbraw/zinc/29/75/66/203297566.db2.gz BMVFXZBZWABBJE-GFCCVEGCSA-N 1 2 231.336 1.734 20 0 BDADLO CCOC1(C)C[NH+](Cc2cnn(C)c2C)C1 ZINC000459613508 203317019 /nfs/dbraw/zinc/31/70/19/203317019.db2.gz CEUZPEPJLKYZLJ-UHFFFAOYSA-N 1 2 223.320 1.339 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+](CCCO)C1CC1 ZINC000404386065 369428155 /nfs/dbraw/zinc/42/81/55/369428155.db2.gz USFVEVMIGOPYHK-UHFFFAOYSA-N 1 2 229.320 1.175 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+](CCCO)C1CC1 ZINC000404386065 369428156 /nfs/dbraw/zinc/42/81/56/369428156.db2.gz USFVEVMIGOPYHK-UHFFFAOYSA-N 1 2 229.320 1.175 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459640269 203329740 /nfs/dbraw/zinc/32/97/40/203329740.db2.gz PUVJSVHESXHXRY-UHFFFAOYSA-N 1 2 247.338 1.757 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NCCCO)[nH+]1 ZINC000631031762 370968557 /nfs/dbraw/zinc/96/85/57/370968557.db2.gz HFTATPRZIJRUGO-UHFFFAOYSA-N 1 2 234.303 1.827 20 0 BDADLO C[C@H]1CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000619660914 369513544 /nfs/dbraw/zinc/51/35/44/369513544.db2.gz DZPPSMPTPXBKMD-JTQLQIEISA-N 1 2 248.330 1.451 20 0 BDADLO C[C@@H](NC(=O)c1ccc[nH]1)c1[nH+]ccn1C ZINC000082277541 370978546 /nfs/dbraw/zinc/97/85/46/370978546.db2.gz SFDFZOKKADLCJB-MRVPVSSYSA-N 1 2 218.260 1.239 20 0 BDADLO O=C(c1ccco1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000082277801 370978853 /nfs/dbraw/zinc/97/88/53/370978853.db2.gz UYHJJNQMLTUWAV-LLVKDONJSA-N 1 2 245.282 1.953 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1cccnc1 ZINC000082270750 370978920 /nfs/dbraw/zinc/97/89/20/370978920.db2.gz QIUDBOIFSRRBLH-UHFFFAOYSA-N 1 2 244.298 1.064 20 0 BDADLO CCOCC[N@H+](CC)[C@H](C)c1nnc(C)o1 ZINC000157621579 326287386 /nfs/dbraw/zinc/28/73/86/326287386.db2.gz BNERAUUGESLXAG-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO CCOCC[N@@H+](CC)[C@H](C)c1nnc(C)o1 ZINC000157621579 326287388 /nfs/dbraw/zinc/28/73/88/326287388.db2.gz BNERAUUGESLXAG-SECBINFHSA-N 1 2 227.308 1.797 20 0 BDADLO O=C(NCC1=CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620011989 369669655 /nfs/dbraw/zinc/66/96/55/369669655.db2.gz UJHSGQRPIVDYKV-NSHDSACASA-N 1 2 245.326 1.741 20 0 BDADLO O=C(NCC1=CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620011989 369669661 /nfs/dbraw/zinc/66/96/61/369669661.db2.gz UJHSGQRPIVDYKV-NSHDSACASA-N 1 2 245.326 1.741 20 0 BDADLO CC(C)[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000620041626 369684537 /nfs/dbraw/zinc/68/45/37/369684537.db2.gz MBXDSKYIMURGHX-GFCCVEGCSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597719 369949224 /nfs/dbraw/zinc/94/92/24/369949224.db2.gz ZDFYZQOCFQCVNQ-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO C[C@H](NC(=O)C1CC(F)(F)C1)c1[nH+]ccn1C ZINC000620602943 369950317 /nfs/dbraw/zinc/95/03/17/369950317.db2.gz GCSYMIJRYVOBJD-ZETCQYMHSA-N 1 2 243.257 1.643 20 0 BDADLO CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000620604013 369951702 /nfs/dbraw/zinc/95/17/02/369951702.db2.gz PPLDGFSHJJKWFR-VIFPVBQESA-N 1 2 221.304 1.788 20 0 BDADLO COC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCC1 ZINC000620604294 369952874 /nfs/dbraw/zinc/95/28/74/369952874.db2.gz QJRGCRPUUKQMEL-SECBINFHSA-N 1 2 237.303 1.166 20 0 BDADLO COC(C)(C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605491 369954136 /nfs/dbraw/zinc/95/41/36/369954136.db2.gz FHCODFPVCMEGBQ-VIFPVBQESA-N 1 2 239.319 1.412 20 0 BDADLO CC[C@@](C)(CO)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620610485 369956647 /nfs/dbraw/zinc/95/66/47/369956647.db2.gz XAGQPYRJKDCZEL-SKDRFNHKSA-N 1 2 239.319 1.006 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)nn1 ZINC000620612545 369958097 /nfs/dbraw/zinc/95/80/97/369958097.db2.gz XYBDBQCWAAYBQB-VIFPVBQESA-N 1 2 245.286 1.010 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)no1 ZINC000620593092 369946444 /nfs/dbraw/zinc/94/64/44/369946444.db2.gz WIZJKPNASSQRRN-MRVPVSSYSA-N 1 2 234.259 1.208 20 0 BDADLO CCCOCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594032 369946778 /nfs/dbraw/zinc/94/67/78/369946778.db2.gz AZXDUXYZIREJMH-VIFPVBQESA-N 1 2 225.292 1.024 20 0 BDADLO CCOCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620596917 369947408 /nfs/dbraw/zinc/94/74/08/369947408.db2.gz VXQBASBXRFSCSZ-VIFPVBQESA-N 1 2 225.292 1.024 20 0 BDADLO CCOCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620595359 369947685 /nfs/dbraw/zinc/94/76/85/369947685.db2.gz IBGPLDVORZULLH-SNVBAGLBSA-N 1 2 239.319 1.414 20 0 BDADLO Cc1ocnc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620595170 369948102 /nfs/dbraw/zinc/94/81/02/369948102.db2.gz JISLVAPBJVNHOW-SSDOTTSWSA-N 1 2 234.259 1.208 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)NC1CC(C)(C)C1 ZINC000620744396 369992396 /nfs/dbraw/zinc/99/23/96/369992396.db2.gz ZUJMMYWALNNPII-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)NC1CC(C)(C)C1 ZINC000620744396 369992398 /nfs/dbraw/zinc/99/23/98/369992398.db2.gz ZUJMMYWALNNPII-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)CCOCC[NH+]1CCS(=O)CC1 ZINC000111691976 370171995 /nfs/dbraw/zinc/17/19/95/370171995.db2.gz JOIYMLMVWZVZPV-UHFFFAOYSA-N 1 2 233.377 1.113 20 0 BDADLO CC12CC(C1)CN2C(=O)CCn1cc[nH+]c1 ZINC000621212306 370154622 /nfs/dbraw/zinc/15/46/22/370154622.db2.gz IKBBVCCSBRQRKI-UHFFFAOYSA-N 1 2 219.288 1.284 20 0 BDADLO Cc1cc(CCNc2cc[nH+]c(C)n2)on1 ZINC000309890640 370272194 /nfs/dbraw/zinc/27/21/94/370272194.db2.gz CKBVDONSIFDAAF-UHFFFAOYSA-N 1 2 218.260 1.736 20 0 BDADLO CSC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309885851 370272594 /nfs/dbraw/zinc/27/25/94/370272594.db2.gz YFRGMAUCQSCHOI-ZETCQYMHSA-N 1 2 241.364 1.409 20 0 BDADLO CSC[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309885851 370272596 /nfs/dbraw/zinc/27/25/96/370272596.db2.gz YFRGMAUCQSCHOI-ZETCQYMHSA-N 1 2 241.364 1.409 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000076400505 370280537 /nfs/dbraw/zinc/28/05/37/370280537.db2.gz LYVBIKXUQNTNHW-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000076400505 370280540 /nfs/dbraw/zinc/28/05/40/370280540.db2.gz LYVBIKXUQNTNHW-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1(C)COC1)C(C)(C)C ZINC000309983333 370282221 /nfs/dbraw/zinc/28/22/21/370282221.db2.gz XFYKTFKJGOTLJU-VIFPVBQESA-N 1 2 229.320 1.200 20 0 BDADLO C[C@@H]1CCN(c2cccc[nH+]2)C[C@H]1CO ZINC000621348138 370282297 /nfs/dbraw/zinc/28/22/97/370282297.db2.gz SPMNBOZAYGVCFV-MNOVXSKESA-N 1 2 206.289 1.536 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@H](CO)C2)cc[nH+]1 ZINC000621349224 370284698 /nfs/dbraw/zinc/28/46/98/370284698.db2.gz KYENVZCTILCMLT-KOLCDFICSA-N 1 2 221.304 1.240 20 0 BDADLO CCc1cc(NC[C@@H](O)[C@H](C)CC)nc[nH+]1 ZINC000310018476 370288913 /nfs/dbraw/zinc/28/89/13/370288913.db2.gz LZLPDMGHTIGJPJ-MWLCHTKSSA-N 1 2 223.320 1.858 20 0 BDADLO Cc1cc(NCCCC(=O)N(C)C)nc[nH+]1 ZINC000112553579 370324226 /nfs/dbraw/zinc/32/42/26/370324226.db2.gz USFZZTVUZMXSOK-UHFFFAOYSA-N 1 2 222.292 1.065 20 0 BDADLO CCCCC[N@H+](CCO)Cc1nc(CC)no1 ZINC000112412005 370294584 /nfs/dbraw/zinc/29/45/84/370294584.db2.gz HHGUWMSLGRLQCM-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1nc(CC)no1 ZINC000112412005 370294591 /nfs/dbraw/zinc/29/45/91/370294591.db2.gz HHGUWMSLGRLQCM-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000621425099 370350425 /nfs/dbraw/zinc/35/04/25/370350425.db2.gz PKRKOQCXAATYFK-GDNZZTSVSA-N 1 2 245.326 1.656 20 0 BDADLO CC1CC(CNC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000621519856 370375500 /nfs/dbraw/zinc/37/55/00/370375500.db2.gz KUFGYRHGHZTTES-UHFFFAOYSA-N 1 2 236.319 1.597 20 0 BDADLO CC1CC(CNC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000621519856 370375502 /nfs/dbraw/zinc/37/55/02/370375502.db2.gz KUFGYRHGHZTTES-UHFFFAOYSA-N 1 2 236.319 1.597 20 0 BDADLO CC1(C)CC[C@H](CO)[N@H+](Cc2csnn2)C1 ZINC000621380700 370324572 /nfs/dbraw/zinc/32/45/72/370324572.db2.gz BQWMGSKHZKYGBH-SNVBAGLBSA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)CC[C@H](CO)[N@@H+](Cc2csnn2)C1 ZINC000621380700 370324574 /nfs/dbraw/zinc/32/45/74/370324574.db2.gz BQWMGSKHZKYGBH-SNVBAGLBSA-N 1 2 241.360 1.521 20 0 BDADLO C[S@@](=O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000112558351 370324611 /nfs/dbraw/zinc/32/46/11/370324611.db2.gz UQDGYNNMABGXLZ-INIZCTEOSA-N 1 2 239.344 1.535 20 0 BDADLO O=C1NCC[C@@H]1[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621404236 370341939 /nfs/dbraw/zinc/34/19/39/370341939.db2.gz MPHRVHUOHLBVBA-VHSXEESVSA-N 1 2 246.301 1.679 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccnc2C)C[C@H](C)O1 ZINC000621713286 370460660 /nfs/dbraw/zinc/46/06/60/370460660.db2.gz FOECUFHFRSNURW-JQWIXIFHSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccnc2C)C[C@H](C)O1 ZINC000621713286 370460663 /nfs/dbraw/zinc/46/06/63/370460663.db2.gz FOECUFHFRSNURW-JQWIXIFHSA-N 1 2 235.331 1.784 20 0 BDADLO CCc1cc(N[C@H]2CCC(=O)N(C)C2)nc[nH+]1 ZINC000077900667 370501878 /nfs/dbraw/zinc/50/18/78/370501878.db2.gz ZGFIBGBUQPTMIR-JTQLQIEISA-N 1 2 234.303 1.072 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@@H]1C ZINC000621729555 370481997 /nfs/dbraw/zinc/48/19/97/370481997.db2.gz YPLWDSSFFLAEAF-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@@H]1C ZINC000621729555 370482001 /nfs/dbraw/zinc/48/20/01/370482001.db2.gz YPLWDSSFFLAEAF-VIFPVBQESA-N 1 2 207.277 1.006 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621736998 370493001 /nfs/dbraw/zinc/49/30/01/370493001.db2.gz JYBLXTUHXJCHNE-SKDRFNHKSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621736998 370493004 /nfs/dbraw/zinc/49/30/04/370493004.db2.gz JYBLXTUHXJCHNE-SKDRFNHKSA-N 1 2 223.320 1.168 20 0 BDADLO CSC[C@@H](CCO)Nc1cc[nH+]c(C)n1 ZINC000078301701 370549369 /nfs/dbraw/zinc/54/93/69/370549369.db2.gz MQMSELWWHBWGFK-SECBINFHSA-N 1 2 227.333 1.311 20 0 BDADLO CC1=CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621931725 370606781 /nfs/dbraw/zinc/60/67/81/370606781.db2.gz GFIJODSHKGJYAK-UHFFFAOYSA-N 1 2 233.315 1.866 20 0 BDADLO CC(C)(C(=O)N1CC(C(F)F)C1)c1c[nH+]c[nH]1 ZINC000621918265 370599566 /nfs/dbraw/zinc/59/95/66/370599566.db2.gz ZQFBXBAERLOXMZ-UHFFFAOYSA-N 1 2 243.257 1.411 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000078679897 370588570 /nfs/dbraw/zinc/58/85/70/370588570.db2.gz IGKFAOIHBCVIQC-ZETCQYMHSA-N 1 2 220.276 1.865 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621984982 370644346 /nfs/dbraw/zinc/64/43/46/370644346.db2.gz PFBGFLQNQVOJCY-RKDXNWHRSA-N 1 2 221.304 1.697 20 0 BDADLO Cc1cnccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000622686038 371063905 /nfs/dbraw/zinc/06/39/05/371063905.db2.gz WYOHHBMZTIHKFO-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)CCO1 ZINC000389606737 371148220 /nfs/dbraw/zinc/14/82/20/371148220.db2.gz YRSCCEHSRDOGSZ-UTLUCORTSA-N 1 2 215.293 1.095 20 0 BDADLO CC(C)c1nc(NC[C@@H](O)C2CC2)cc[nH+]1 ZINC000390535916 371213316 /nfs/dbraw/zinc/21/33/16/371213316.db2.gz KEOVMSPACDVEOE-SNVBAGLBSA-N 1 2 221.304 1.205 20 0 BDADLO COc1cncc(C[NH2+]Cc2cc[nH]n2)c1C ZINC000631068195 371283221 /nfs/dbraw/zinc/28/32/21/371283221.db2.gz ZEMPNYPFUASOCH-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO C[C@@H]([NH2+]Cc1ccns1)c1ccn(C)n1 ZINC000624046581 371270056 /nfs/dbraw/zinc/27/00/56/371270056.db2.gz CDDQVLSVPOQDGK-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO c1cc(C[NH2+]Cc2cocn2)n(CC2CCC2)n1 ZINC000631069778 371299199 /nfs/dbraw/zinc/29/91/99/371299199.db2.gz XLVDPGUBHPWDJZ-UHFFFAOYSA-N 1 2 246.314 1.961 20 0 BDADLO COc1ccc[nH+]c1N1CCC(F)(F)C1 ZINC000624086546 371299433 /nfs/dbraw/zinc/29/94/33/371299433.db2.gz KXSUMKNHAMSDCB-UHFFFAOYSA-N 1 2 214.215 1.936 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NC[C@H](C)CO)[nH+]1 ZINC000631070663 371310914 /nfs/dbraw/zinc/31/09/14/371310914.db2.gz DFQZEXUGEILABU-VIFPVBQESA-N 1 2 248.330 1.544 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NC[C@@H](C)CO)[nH+]1 ZINC000631070662 371311254 /nfs/dbraw/zinc/31/12/54/371311254.db2.gz DFQZEXUGEILABU-SECBINFHSA-N 1 2 248.330 1.544 20 0 BDADLO FCCn1cc(N[C@@H]2CCn3cc[nH+]c32)cn1 ZINC000624127519 371327986 /nfs/dbraw/zinc/32/79/86/371327986.db2.gz JUIOPVNRUPZLBT-SNVBAGLBSA-N 1 2 235.266 1.606 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](O)[C@@H]1CCCO1 ZINC000624515068 371524513 /nfs/dbraw/zinc/52/45/13/371524513.db2.gz BTJIRHFFWLHMKC-UWVGGRQHSA-N 1 2 238.287 1.042 20 0 BDADLO CN(CCOCCO)c1[nH+]ccc2ccccc21 ZINC000302329486 371570426 /nfs/dbraw/zinc/57/04/26/371570426.db2.gz HVPUMAVOPABPQZ-UHFFFAOYSA-N 1 2 246.310 1.680 20 0 BDADLO O=C(c1nccs1)N1CCc2[nH]c[nH+]c2C1 ZINC000627371971 371590074 /nfs/dbraw/zinc/59/00/74/371590074.db2.gz XRDFZZBELLIWNK-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO O=C(c1nccs1)N1CCc2[nH+]c[nH]c2C1 ZINC000627371971 371590079 /nfs/dbraw/zinc/59/00/79/371590079.db2.gz XRDFZZBELLIWNK-UHFFFAOYSA-N 1 2 234.284 1.065 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000627373037 371591544 /nfs/dbraw/zinc/59/15/44/371591544.db2.gz DPUKQRBQZQMDGG-SECBINFHSA-N 1 2 233.315 1.731 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000627373037 371591552 /nfs/dbraw/zinc/59/15/52/371591552.db2.gz DPUKQRBQZQMDGG-SECBINFHSA-N 1 2 233.315 1.731 20 0 BDADLO O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCc2[nH]c[nH+]c2C1 ZINC000627374032 371592180 /nfs/dbraw/zinc/59/21/80/371592180.db2.gz IFPJQFXCOGNCDK-HBNTYKKESA-N 1 2 245.326 1.731 20 0 BDADLO O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCc2[nH+]c[nH]c2C1 ZINC000627374032 371592184 /nfs/dbraw/zinc/59/21/84/371592184.db2.gz IFPJQFXCOGNCDK-HBNTYKKESA-N 1 2 245.326 1.731 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373314 371592777 /nfs/dbraw/zinc/59/27/77/371592777.db2.gz NVASXKRUHYECHZ-RKDXNWHRSA-N 1 2 219.288 1.341 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373314 371592782 /nfs/dbraw/zinc/59/27/82/371592782.db2.gz NVASXKRUHYECHZ-RKDXNWHRSA-N 1 2 219.288 1.341 20 0 BDADLO CCCn1cc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000226212554 371625187 /nfs/dbraw/zinc/62/51/87/371625187.db2.gz PXBJRTJTVQXUPN-UHFFFAOYSA-N 1 2 219.292 1.306 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C23CC(C2)C3)c2[nH+]ccn21 ZINC000627658458 371817020 /nfs/dbraw/zinc/81/70/20/371817020.db2.gz CACXJGIWKGDGBI-CUYBNKCWSA-N 1 2 231.299 1.805 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCSC1 ZINC000284191306 181836103 /nfs/dbraw/zinc/83/61/03/181836103.db2.gz YZGJDSKCBBIAEJ-GPYPMJJRSA-N 1 2 223.301 1.045 20 0 BDADLO Cc1nc(N2CC=C(C(C)(C)C)CC2)nc(N)[nH+]1 ZINC000631186462 372220971 /nfs/dbraw/zinc/22/09/71/372220971.db2.gz WJMUDZPRCPWNLJ-UHFFFAOYSA-N 1 2 247.346 1.775 20 0 BDADLO Cc1nc(N)nc(N2CC=C(C(C)(C)C)CC2)[nH+]1 ZINC000631186462 372220976 /nfs/dbraw/zinc/22/09/76/372220976.db2.gz WJMUDZPRCPWNLJ-UHFFFAOYSA-N 1 2 247.346 1.775 20 0 BDADLO Cc1nc(N2CCCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631213154 372237263 /nfs/dbraw/zinc/23/72/63/372237263.db2.gz KSVYCHSAPMHBAV-QMMMGPOBSA-N 1 2 221.308 1.219 20 0 BDADLO Cc1nc(N)nc(N2CCCC[C@H](C)C2)[nH+]1 ZINC000631213154 372237265 /nfs/dbraw/zinc/23/72/65/372237265.db2.gz KSVYCHSAPMHBAV-QMMMGPOBSA-N 1 2 221.308 1.219 20 0 BDADLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccncc1 ZINC000631208366 372237342 /nfs/dbraw/zinc/23/73/42/372237342.db2.gz WSYLPXGOQJUWDZ-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO CC[C@@H](Nc1nc(C)[nH+]c(N)n1)[C@H]1CC1(C)C ZINC000631315977 372291868 /nfs/dbraw/zinc/29/18/68/372291868.db2.gz ZMMSPFIJKXELNI-RKDXNWHRSA-N 1 2 235.335 1.829 20 0 BDADLO CC[C@@H](Nc1nc(N)nc(C)[nH+]1)[C@H]1CC1(C)C ZINC000631315977 372291869 /nfs/dbraw/zinc/29/18/69/372291869.db2.gz ZMMSPFIJKXELNI-RKDXNWHRSA-N 1 2 235.335 1.829 20 0 BDADLO Cc1nc(NC2CCC3(CC3)CC2)nc(N)[nH+]1 ZINC000631248524 372258329 /nfs/dbraw/zinc/25/83/29/372258329.db2.gz DQVXFLKTKJPNKF-UHFFFAOYSA-N 1 2 233.319 1.727 20 0 BDADLO Cc1nc(N)nc(NC2CCC3(CC3)CC2)[nH+]1 ZINC000631248524 372258340 /nfs/dbraw/zinc/25/83/40/372258340.db2.gz DQVXFLKTKJPNKF-UHFFFAOYSA-N 1 2 233.319 1.727 20 0 BDADLO COc1nccnc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631262464 372269386 /nfs/dbraw/zinc/26/93/86/372269386.db2.gz QMLRRJMKNKDMJB-RNFRBKRXSA-N 1 2 247.220 1.526 20 0 BDADLO Cc1nc(N2CCC(C)(C3CC3)CC2)nc(N)[nH+]1 ZINC000631277971 372274224 /nfs/dbraw/zinc/27/42/24/372274224.db2.gz OFJZJWZZTVKTKY-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CCC(C)(C3CC3)CC2)[nH+]1 ZINC000631277971 372274229 /nfs/dbraw/zinc/27/42/29/372274229.db2.gz OFJZJWZZTVKTKY-UHFFFAOYSA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N2CCC(F)(F)[C@H](C)C2)nc(N)[nH+]1 ZINC000631286744 372278787 /nfs/dbraw/zinc/27/87/87/372278787.db2.gz CBMUZPDDVJIRKJ-ZCFIWIBFSA-N 1 2 243.261 1.074 20 0 BDADLO Cc1nc(N)nc(N2CCC(F)(F)[C@H](C)C2)[nH+]1 ZINC000631286744 372278795 /nfs/dbraw/zinc/27/87/95/372278795.db2.gz CBMUZPDDVJIRKJ-ZCFIWIBFSA-N 1 2 243.261 1.074 20 0 BDADLO CC(C)(C)c1nnc(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000631385910 372329422 /nfs/dbraw/zinc/32/94/22/372329422.db2.gz QITGBDUCZHQSRD-UHFFFAOYSA-N 1 2 249.274 1.020 20 0 BDADLO Cc1nc(N2CCC(F)(F)C[C@H]2C)nc(N)[nH+]1 ZINC000631401466 372338476 /nfs/dbraw/zinc/33/84/76/372338476.db2.gz GCOZAGRRWUBLAH-ZCFIWIBFSA-N 1 2 243.261 1.217 20 0 BDADLO Cc1nc(N)nc(N2CCC(F)(F)C[C@H]2C)[nH+]1 ZINC000631401466 372338481 /nfs/dbraw/zinc/33/84/81/372338481.db2.gz GCOZAGRRWUBLAH-ZCFIWIBFSA-N 1 2 243.261 1.217 20 0 BDADLO Cc1cc(N[C@H]2C[C@@H](CO)C2)nc(C2CC2)[nH+]1 ZINC000631425407 372354896 /nfs/dbraw/zinc/35/48/96/372354896.db2.gz GIWKCEZISMKQOK-JGZJWPJOSA-N 1 2 233.315 1.267 20 0 BDADLO CCC[C@H](CCO)Nc1nc[nH+]c(N)c1OC ZINC000631425301 372355152 /nfs/dbraw/zinc/35/51/52/372355152.db2.gz BKEOSUJJCZYMFI-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BDADLO CCC[C@H](CCO)Nc1[nH+]cnc(N)c1OC ZINC000631425301 372355153 /nfs/dbraw/zinc/35/51/53/372355153.db2.gz BKEOSUJJCZYMFI-MRVPVSSYSA-N 1 2 240.307 1.030 20 0 BDADLO CCCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171417656 372575200 /nfs/dbraw/zinc/57/52/00/372575200.db2.gz OSRIAPUUBSJDFL-UHFFFAOYSA-N 1 2 242.363 1.357 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H]2CCC[C@H]21 ZINC000287684404 181942499 /nfs/dbraw/zinc/94/24/99/181942499.db2.gz IGKAURPRJVMJIL-MNOVXSKESA-N 1 2 249.314 1.122 20 0 BDADLO O=C(C[C@H]1CCCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329372394 182028890 /nfs/dbraw/zinc/02/88/90/182028890.db2.gz MMNQRLXDYOGDPG-MNOVXSKESA-N 1 2 249.314 1.642 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC2(CCC2(F)F)C1 ZINC000360596511 182070642 /nfs/dbraw/zinc/07/06/42/182070642.db2.gz NEFOKNXGLFRJKE-UHFFFAOYSA-N 1 2 241.241 1.141 20 0 BDADLO CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]c[nH+]1 ZINC000172854698 373095100 /nfs/dbraw/zinc/09/51/00/373095100.db2.gz HHZYLHYLGLOATE-LBPRGKRZSA-N 1 2 242.282 1.996 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCC1=CCCCC1 ZINC000122498443 182071108 /nfs/dbraw/zinc/07/11/08/182071108.db2.gz ABFLFZJGVNRKCC-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(CC1CC1)C1CCC1 ZINC000358400674 182069735 /nfs/dbraw/zinc/06/97/35/182069735.db2.gz ZKYLRPVXINRXHU-UHFFFAOYSA-N 1 2 233.315 1.674 20 0 BDADLO CC(C)NC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632733178 373120106 /nfs/dbraw/zinc/12/01/06/373120106.db2.gz QAVSZUQHVQVCEU-UHFFFAOYSA-N 1 2 224.308 1.326 20 0 BDADLO CCN(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632732967 373120526 /nfs/dbraw/zinc/12/05/26/373120526.db2.gz NJJUQNXPOCLHLG-UHFFFAOYSA-N 1 2 224.308 1.280 20 0 BDADLO CC(C)N(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632733662 373120684 /nfs/dbraw/zinc/12/06/84/373120684.db2.gz XSBDJIFMQMSIEM-UHFFFAOYSA-N 1 2 238.335 1.668 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)c1ccncc1Cl ZINC000358347197 182085660 /nfs/dbraw/zinc/08/56/60/182085660.db2.gz DRRNJIRHNYCSSF-UHFFFAOYSA-N 1 2 249.657 1.510 20 0 BDADLO C[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)c1[nH]cc[nH+]1 ZINC000633172523 373321218 /nfs/dbraw/zinc/32/12/18/373321218.db2.gz ZIOUIIGSKLKZRA-BREBYQMCSA-N 1 2 249.314 1.546 20 0 BDADLO CC(=O)CN(C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC000633220125 373361886 /nfs/dbraw/zinc/36/18/86/373361886.db2.gz FIPQKHHUKBMHJE-UHFFFAOYSA-N 1 2 237.303 1.168 20 0 BDADLO CC(=O)CN(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC000633220125 373361890 /nfs/dbraw/zinc/36/18/90/373361890.db2.gz FIPQKHHUKBMHJE-UHFFFAOYSA-N 1 2 237.303 1.168 20 0 BDADLO O=C(NCC(F)(F)F)[C@H]1CCc2c[nH+]cn2C1 ZINC000336435481 182122953 /nfs/dbraw/zinc/12/29/53/182122953.db2.gz MCWLNUNJQWCVLL-ZETCQYMHSA-N 1 2 247.220 1.124 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]1C(F)F ZINC000633240376 373396229 /nfs/dbraw/zinc/39/62/29/373396229.db2.gz LLJRREFUDZWQID-VIFPVBQESA-N 1 2 243.257 1.219 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633304301 373462332 /nfs/dbraw/zinc/46/23/32/373462332.db2.gz GRQXWYRDPRDJGL-VHSXEESVSA-N 1 2 236.319 1.596 20 0 BDADLO Cc1conc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000633334293 373479740 /nfs/dbraw/zinc/47/97/40/373479740.db2.gz PYAOZCZNOZJDDP-DTWKUNHWSA-N 1 2 246.270 1.615 20 0 BDADLO CC1CC(CNC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633362859 373498980 /nfs/dbraw/zinc/49/89/80/373498980.db2.gz VSEUIWJKOFIBGI-UHFFFAOYSA-N 1 2 236.319 1.597 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000115161633 182169721 /nfs/dbraw/zinc/16/97/21/182169721.db2.gz YSPNEDOABFUXCV-NSHDSACASA-N 1 2 249.314 1.179 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)c1cn[nH]c1 ZINC000136187041 182169733 /nfs/dbraw/zinc/16/97/33/182169733.db2.gz KVEONLJRWFHZGC-UHFFFAOYSA-N 1 2 245.286 1.037 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCS1 ZINC000266605328 182178297 /nfs/dbraw/zinc/17/82/97/182178297.db2.gz QFJAIDSFFDTZQZ-JTQLQIEISA-N 1 2 239.344 1.285 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)NC1CCC1 ZINC000264452809 182188186 /nfs/dbraw/zinc/18/81/86/182188186.db2.gz PHLGOXWXUYWCQE-UHFFFAOYSA-N 1 2 234.303 1.345 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000130696974 182215034 /nfs/dbraw/zinc/21/50/34/182215034.db2.gz XXDBWPCSJNYYOF-VXGBXAGGSA-N 1 2 248.330 1.325 20 0 BDADLO CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174349153 374183527 /nfs/dbraw/zinc/18/35/27/374183527.db2.gz RVFOMTXIKHBQSP-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174349153 374183538 /nfs/dbraw/zinc/18/35/38/374183538.db2.gz RVFOMTXIKHBQSP-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1sccc1F ZINC000309144964 182247464 /nfs/dbraw/zinc/24/74/64/182247464.db2.gz UYQWWFZJHFKHDE-UHFFFAOYSA-N 1 2 225.248 1.540 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1sccc1F ZINC000309144964 182247466 /nfs/dbraw/zinc/24/74/66/182247466.db2.gz UYQWWFZJHFKHDE-UHFFFAOYSA-N 1 2 225.248 1.540 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc(F)cc1O ZINC000228310776 182248299 /nfs/dbraw/zinc/24/82/99/182248299.db2.gz YYUWOPYRMDZJNZ-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc(F)cc1O ZINC000228310776 182248301 /nfs/dbraw/zinc/24/83/01/182248301.db2.gz YYUWOPYRMDZJNZ-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC1(Cl)Cl ZINC000265129587 182273801 /nfs/dbraw/zinc/27/38/01/182273801.db2.gz QTZKTPNLQWWVNW-YFKPBYRVSA-N 1 2 234.086 1.220 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000252649419 182274130 /nfs/dbraw/zinc/27/41/30/182274130.db2.gz WYJMTERCGNRLGT-JZYVYDRUSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ncoc1C1CC1 ZINC000293950716 182274417 /nfs/dbraw/zinc/27/44/17/182274417.db2.gz ZHQAPHIBINDXLC-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336623318 182267092 /nfs/dbraw/zinc/26/70/92/182267092.db2.gz LYGNBNFDWGGRSX-JTQLQIEISA-N 1 2 245.282 1.739 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000336623318 182267093 /nfs/dbraw/zinc/26/70/93/182267093.db2.gz LYGNBNFDWGGRSX-JTQLQIEISA-N 1 2 245.282 1.739 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CCOC1)C(=O)OC ZINC000179337387 206009672 /nfs/dbraw/zinc/00/96/72/206009672.db2.gz PECRWVSHLTVWFO-ZJUUUORDSA-N 1 2 215.293 1.097 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459340165 206010413 /nfs/dbraw/zinc/01/04/13/206010413.db2.gz DVGDXPWYYXSPQB-MNOVXSKESA-N 1 2 247.342 1.963 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459340165 206010417 /nfs/dbraw/zinc/01/04/17/206010417.db2.gz DVGDXPWYYXSPQB-MNOVXSKESA-N 1 2 247.342 1.963 20 0 BDADLO O=C(NCc1cn2c([nH+]1)CCCC2)NCC1CC1 ZINC000263793149 182268859 /nfs/dbraw/zinc/26/88/59/182268859.db2.gz OBUBNDXMYAOCDF-UHFFFAOYSA-N 1 2 248.330 1.429 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2cc[nH]c2n1 ZINC000354746709 182269810 /nfs/dbraw/zinc/26/98/10/182269810.db2.gz WNCVXPWPAIDIFV-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2cc[nH]c2n1 ZINC000354746709 182269812 /nfs/dbraw/zinc/26/98/12/182269812.db2.gz WNCVXPWPAIDIFV-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1csc(C2CC2)n1 ZINC000359131741 182271024 /nfs/dbraw/zinc/27/10/24/182271024.db2.gz UMVNDAJNBMBVJE-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1csc(C2CC2)n1 ZINC000359131741 182271027 /nfs/dbraw/zinc/27/10/27/182271027.db2.gz UMVNDAJNBMBVJE-UHFFFAOYSA-N 1 2 248.311 1.674 20 0 BDADLO Cc1cc(F)c(C[NH2+]CC(=O)N(C)C)c(F)c1 ZINC000424131605 206031559 /nfs/dbraw/zinc/03/15/59/206031559.db2.gz JHYBDQXSQIJILW-UHFFFAOYSA-N 1 2 242.269 1.451 20 0 BDADLO CCOCC[N@H+](CC)Cc1nnc(C(C)C)[nH]1 ZINC000428235807 206054199 /nfs/dbraw/zinc/05/41/99/206054199.db2.gz DQGLFBAHTIPZFR-UHFFFAOYSA-N 1 2 240.351 1.787 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nnc(C(C)C)[nH]1 ZINC000428235807 206054201 /nfs/dbraw/zinc/05/42/01/206054201.db2.gz DQGLFBAHTIPZFR-UHFFFAOYSA-N 1 2 240.351 1.787 20 0 BDADLO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000437056063 206068489 /nfs/dbraw/zinc/06/84/89/206068489.db2.gz HQAMFULREHUJRI-QWRGUYRKSA-N 1 2 245.330 1.930 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000440487611 206076405 /nfs/dbraw/zinc/07/64/05/206076405.db2.gz LEHYUVMETUSEHC-SNVBAGLBSA-N 1 2 216.300 1.289 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000440487611 206076409 /nfs/dbraw/zinc/07/64/09/206076409.db2.gz LEHYUVMETUSEHC-SNVBAGLBSA-N 1 2 216.300 1.289 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc[nH]1 ZINC000336354939 182312348 /nfs/dbraw/zinc/31/23/48/182312348.db2.gz QDOJDRWENPEEHM-MRVPVSSYSA-N 1 2 230.271 1.025 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc[nH]1 ZINC000336354939 182312349 /nfs/dbraw/zinc/31/23/49/182312349.db2.gz QDOJDRWENPEEHM-MRVPVSSYSA-N 1 2 230.271 1.025 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccoc1 ZINC000336610465 182313866 /nfs/dbraw/zinc/31/38/66/182313866.db2.gz GSVRVOSEPXGMHW-SNVBAGLBSA-N 1 2 231.255 1.221 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)C(C)C ZINC000451589608 206109077 /nfs/dbraw/zinc/10/90/77/206109077.db2.gz LLOOVSLVJANPMF-RYUDHWBXSA-N 1 2 245.363 1.569 20 0 BDADLO CC(C)[C@@H]1CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000450808514 206104823 /nfs/dbraw/zinc/10/48/23/206104823.db2.gz IFDZYLBNQQVPFI-ZDUSSCGKSA-N 1 2 246.358 1.699 20 0 BDADLO CC(C)[C@@H]1CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000450808514 206104827 /nfs/dbraw/zinc/10/48/27/206104827.db2.gz IFDZYLBNQQVPFI-ZDUSSCGKSA-N 1 2 246.358 1.699 20 0 BDADLO O=C(N[C@H]1CCCOC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366567756 182330974 /nfs/dbraw/zinc/33/09/74/182330974.db2.gz MZKRKHPMOSFPSJ-VHSXEESVSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(N[C@H]1CCCOC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366567756 182330977 /nfs/dbraw/zinc/33/09/77/182330977.db2.gz MZKRKHPMOSFPSJ-VHSXEESVSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1=CCCC1 ZINC000334359984 182342940 /nfs/dbraw/zinc/34/29/40/182342940.db2.gz XTGJKZDXTUTSFJ-JTQLQIEISA-N 1 2 231.299 1.494 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1=CCCC1 ZINC000334359984 182342942 /nfs/dbraw/zinc/34/29/42/182342942.db2.gz XTGJKZDXTUTSFJ-JTQLQIEISA-N 1 2 231.299 1.494 20 0 BDADLO CCc1ccc(C[NH+]2CC(OCCOC)C2)o1 ZINC000459467120 206129268 /nfs/dbraw/zinc/12/92/68/206129268.db2.gz PTEZQBMQKYBERJ-UHFFFAOYSA-N 1 2 239.315 1.689 20 0 BDADLO FC(F)[C@H]1CCC[N@@H+]1CCc1cn[nH]c1 ZINC000459493445 206130378 /nfs/dbraw/zinc/13/03/78/206130378.db2.gz YFYCKZUCTXILRG-SECBINFHSA-N 1 2 215.247 1.682 20 0 BDADLO FC(F)[C@H]1CCC[N@H+]1CCc1cn[nH]c1 ZINC000459493445 206130382 /nfs/dbraw/zinc/13/03/82/206130382.db2.gz YFYCKZUCTXILRG-SECBINFHSA-N 1 2 215.247 1.682 20 0 BDADLO COC[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000459491470 206131968 /nfs/dbraw/zinc/13/19/68/206131968.db2.gz DAUZXDTWWLOTCD-SNVBAGLBSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1cccc2[nH+]cc(CNCC(F)F)n21 ZINC000459544163 206132642 /nfs/dbraw/zinc/13/26/42/206132642.db2.gz JQIPFFDILOHDRN-UHFFFAOYSA-N 1 2 225.242 1.997 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cncc(F)c1 ZINC000167436587 206146061 /nfs/dbraw/zinc/14/60/61/206146061.db2.gz QTXPQNGQDRJUCY-MRVPVSSYSA-N 1 2 220.251 1.795 20 0 BDADLO O=C(Nc1ccc2c(c1)CCC2)[C@H]1COCC[NH2+]1 ZINC000088357664 182364163 /nfs/dbraw/zinc/36/41/63/182364163.db2.gz JBYILDHYRAQQDV-CYBMUJFWSA-N 1 2 246.310 1.102 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CC1(F)F ZINC000336304870 182392660 /nfs/dbraw/zinc/39/26/60/182392660.db2.gz OGBSCGBOJPKVGL-SSDOTTSWSA-N 1 2 241.241 1.813 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000280753847 182385210 /nfs/dbraw/zinc/38/52/10/182385210.db2.gz LIOSCWBJMNORIW-JTQLQIEISA-N 1 2 231.255 1.452 20 0 BDADLO CCCCOCC(=O)N1CCn2c[nH+]cc2C1 ZINC000378081092 168889614 /nfs/dbraw/zinc/88/96/14/168889614.db2.gz TUUDKRUROBKOMK-UHFFFAOYSA-N 1 2 237.303 1.042 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@@H]2CCOC2)no1 ZINC000178344814 134308771 /nfs/dbraw/zinc/30/87/71/134308771.db2.gz RJFDRFMEKJSLAA-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@@H]2CCOC2)no1 ZINC000178344814 134308772 /nfs/dbraw/zinc/30/87/72/134308772.db2.gz RJFDRFMEKJSLAA-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2CCOCC(F)F ZINC000364271621 182834397 /nfs/dbraw/zinc/83/43/97/182834397.db2.gz PAHKEUZSXMUHQD-LLVKDONJSA-N 1 2 249.257 1.050 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2CCOCC(F)F ZINC000364271621 182834399 /nfs/dbraw/zinc/83/43/99/182834399.db2.gz PAHKEUZSXMUHQD-LLVKDONJSA-N 1 2 249.257 1.050 20 0 BDADLO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000112344194 183000777 /nfs/dbraw/zinc/00/07/77/183000777.db2.gz OWGQGJDMQHEBBJ-NSHDSACASA-N 1 2 244.298 1.265 20 0 BDADLO OC1(C(F)(F)F)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000136859718 183015425 /nfs/dbraw/zinc/01/54/25/183015425.db2.gz LIVBLCQGOOCTEC-UHFFFAOYSA-N 1 2 249.236 1.299 20 0 BDADLO OC1(CCNc2cccc[nH+]2)CCOCC1 ZINC000286498326 183017393 /nfs/dbraw/zinc/01/73/93/183017393.db2.gz XYTBWVMXCDMRMS-UHFFFAOYSA-N 1 2 222.288 1.425 20 0 BDADLO OC1(C[N@@H+]2CCC(F)(F)C2)CCCC1 ZINC000306625359 183018299 /nfs/dbraw/zinc/01/82/99/183018299.db2.gz GVAQSCQFGWAGOC-UHFFFAOYSA-N 1 2 205.248 1.633 20 0 BDADLO OC1(C[N@H+]2CCC(F)(F)C2)CCCC1 ZINC000306625359 183018303 /nfs/dbraw/zinc/01/83/03/183018303.db2.gz GVAQSCQFGWAGOC-UHFFFAOYSA-N 1 2 205.248 1.633 20 0 BDADLO OC1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000301267748 183022046 /nfs/dbraw/zinc/02/20/46/183022046.db2.gz WWZLLFQLCWESOV-UHFFFAOYSA-N 1 2 219.288 1.681 20 0 BDADLO OCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000040453017 183040831 /nfs/dbraw/zinc/04/08/31/183040831.db2.gz ANXGIFWWAZYUAM-UHFFFAOYSA-N 1 2 231.299 1.772 20 0 BDADLO OCCCCC[N@H+](CC(F)F)C1CC1 ZINC000303977390 183045704 /nfs/dbraw/zinc/04/57/04/183045704.db2.gz CURBZRYZSHLONT-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO OCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000303977390 183045708 /nfs/dbraw/zinc/04/57/08/183045708.db2.gz CURBZRYZSHLONT-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO OCC(F)(F)C[NH2+]C/C=C\c1ccccc1 ZINC000309126021 183033968 /nfs/dbraw/zinc/03/39/68/183033968.db2.gz DEWXSKOEMSQAFE-DAXSKMNVSA-N 1 2 227.254 1.917 20 0 BDADLO OCC(F)(F)C[NH2+]Cc1ccccc1 ZINC000183868516 183034519 /nfs/dbraw/zinc/03/45/19/183034519.db2.gz YVHROQYTRIZAFN-UHFFFAOYSA-N 1 2 201.216 1.404 20 0 BDADLO OCC(F)(F)C[NH2+][C@H]1CCc2ccccc21 ZINC000184697195 183034878 /nfs/dbraw/zinc/03/48/78/183034878.db2.gz FHBTVXVLSWMKDI-NSHDSACASA-N 1 2 227.254 1.891 20 0 BDADLO OCC[NH+](Cc1cccnc1)Cc1cccnc1 ZINC000268715567 183069842 /nfs/dbraw/zinc/06/98/42/183069842.db2.gz UREKFKPFWXVMOO-UHFFFAOYSA-N 1 2 243.310 1.471 20 0 BDADLO OCC[N@H+](Cc1csc(C2CC2)n1)C1CC1 ZINC000270350284 183071174 /nfs/dbraw/zinc/07/11/74/183071174.db2.gz USQHYSJYFRSZJA-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO OCC[N@@H+](Cc1csc(C2CC2)n1)C1CC1 ZINC000270350284 183071176 /nfs/dbraw/zinc/07/11/76/183071176.db2.gz USQHYSJYFRSZJA-UHFFFAOYSA-N 1 2 238.356 1.977 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000361869736 183091596 /nfs/dbraw/zinc/09/15/96/183091596.db2.gz WPUCZIGKEFQZBP-CYBMUJFWSA-N 1 2 243.310 1.690 20 0 BDADLO CCCC[C@H]([NH2+]C[C@H](OC)C(C)C)C(=O)OC ZINC000342709903 169012248 /nfs/dbraw/zinc/01/22/48/169012248.db2.gz NUKNMJHVTWSYKH-RYUDHWBXSA-N 1 2 245.363 1.979 20 0 BDADLO OC[C@H](C[NH+]=c1[nH]c2ccccc2[nH]1)C1CC1 ZINC000357790740 183137888 /nfs/dbraw/zinc/13/78/88/183137888.db2.gz YNSQOTBQGLVRBK-JTQLQIEISA-N 1 2 231.299 1.415 20 0 BDADLO OC[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1 ZINC000265203918 183141516 /nfs/dbraw/zinc/14/15/16/183141516.db2.gz BRISHCQKWXOWAQ-LBPRGKRZSA-N 1 2 235.262 1.372 20 0 BDADLO OC[C@H]1CCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000370751009 183153181 /nfs/dbraw/zinc/15/31/81/183153181.db2.gz VEROYBMMLWAWRG-NSHDSACASA-N 1 2 244.298 1.086 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccon1 ZINC000130699726 183157849 /nfs/dbraw/zinc/15/78/49/183157849.db2.gz CLBZJABYDPYMEN-AWEZNQCLSA-N 1 2 244.294 1.766 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccon1 ZINC000130699726 183157850 /nfs/dbraw/zinc/15/78/50/183157850.db2.gz CLBZJABYDPYMEN-AWEZNQCLSA-N 1 2 244.294 1.766 20 0 BDADLO OC[C@]1(F)CC[N@H+](CCC(F)(F)F)C1 ZINC000338586160 183158249 /nfs/dbraw/zinc/15/82/49/183158249.db2.gz ZKSGENHQXYZEQY-ZETCQYMHSA-N 1 2 215.190 1.345 20 0 BDADLO OC[C@]1(F)CC[N@@H+](CCC(F)(F)F)C1 ZINC000338586160 183158253 /nfs/dbraw/zinc/15/82/53/183158253.db2.gz ZKSGENHQXYZEQY-ZETCQYMHSA-N 1 2 215.190 1.345 20 0 BDADLO OC[C@]1(F)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000338423466 183158697 /nfs/dbraw/zinc/15/86/97/183158697.db2.gz OFAIDQOFASJAAU-ZDUSSCGKSA-N 1 2 247.273 1.541 20 0 BDADLO OC[C@]1([NH2+]Cc2ncc(Cl)s2)CCOC1 ZINC000308899972 183158759 /nfs/dbraw/zinc/15/87/59/183158759.db2.gz BOHXDHXWYRBRCJ-SECBINFHSA-N 1 2 248.735 1.038 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000061709178 183200065 /nfs/dbraw/zinc/20/00/65/183200065.db2.gz VVBKRPOXIIPIJF-LLVKDONJSA-N 1 2 245.282 1.303 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000061709178 183200067 /nfs/dbraw/zinc/20/00/67/183200067.db2.gz VVBKRPOXIIPIJF-LLVKDONJSA-N 1 2 245.282 1.303 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(C)o1 ZINC000050065868 169099908 /nfs/dbraw/zinc/09/99/08/169099908.db2.gz HVLYZCAWGUPSEU-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C)o1 ZINC000050065868 169099911 /nfs/dbraw/zinc/09/99/11/169099911.db2.gz HVLYZCAWGUPSEU-UHFFFAOYSA-N 1 2 225.288 1.973 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)Cc1ccccc1 ZINC000105492818 183224173 /nfs/dbraw/zinc/22/41/73/183224173.db2.gz PHDFDOXFAHJOLE-ZDUSSCGKSA-N 1 2 231.299 1.103 20 0 BDADLO CCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000362905651 169083306 /nfs/dbraw/zinc/08/33/06/169083306.db2.gz UCHXPYLNJUAOPX-UHFFFAOYSA-N 1 2 218.251 1.385 20 0 BDADLO CCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000362905651 169083308 /nfs/dbraw/zinc/08/33/08/169083308.db2.gz UCHXPYLNJUAOPX-UHFFFAOYSA-N 1 2 218.251 1.385 20 0 BDADLO O[C@@]1(C2CC2)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000362851770 183216308 /nfs/dbraw/zinc/21/63/08/183216308.db2.gz PQFBHGPPEUFYQL-AWEZNQCLSA-N 1 2 245.326 1.705 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H]1COCCO1 ZINC000336646657 169109041 /nfs/dbraw/zinc/10/90/41/169109041.db2.gz KZCUPLGFOJMJGW-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H]1COCCO1 ZINC000336646657 169109046 /nfs/dbraw/zinc/10/90/46/169109046.db2.gz KZCUPLGFOJMJGW-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO O[C@H]1CC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000360909347 183239420 /nfs/dbraw/zinc/23/94/20/183239420.db2.gz HAFIBDQNYBPTCF-NSHDSACASA-N 1 2 248.330 1.057 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000360909347 183239422 /nfs/dbraw/zinc/23/94/22/183239422.db2.gz HAFIBDQNYBPTCF-NSHDSACASA-N 1 2 248.330 1.057 20 0 BDADLO CCCN(CC)C(=O)CCc1c[nH+]cn1C ZINC000280899237 169111575 /nfs/dbraw/zinc/11/15/75/169111575.db2.gz OHABEJBDUZFBPC-UHFFFAOYSA-N 1 2 223.320 1.611 20 0 BDADLO CCCN(CC)c1[nH+]cnc2c1cnn2C ZINC000267118057 169133776 /nfs/dbraw/zinc/13/37/76/169133776.db2.gz SQVMZPQAVIYBQV-UHFFFAOYSA-N 1 2 219.292 1.600 20 0 BDADLO CCCN(CC1CC1)C(=O)Cc1[nH]c[nH+]c1C ZINC000279283294 169134870 /nfs/dbraw/zinc/13/48/70/169134870.db2.gz XCOCGOBMONVJAZ-UHFFFAOYSA-N 1 2 235.331 1.909 20 0 BDADLO CCC[N@H+](CCC(=O)OCC)CC(F)F ZINC000101731836 169139556 /nfs/dbraw/zinc/13/95/56/169139556.db2.gz RFARBXPBVMTLTG-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO CCC[N@@H+](CCC(=O)OCC)CC(F)F ZINC000101731836 169139558 /nfs/dbraw/zinc/13/95/58/169139558.db2.gz RFARBXPBVMTLTG-UHFFFAOYSA-N 1 2 223.263 1.917 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](CCCCF)CC2)[nH]1 ZINC000377607661 183305813 /nfs/dbraw/zinc/30/58/13/183305813.db2.gz RHWJLIQNCKSYRW-UHFFFAOYSA-N 1 2 242.298 1.439 20 0 BDADLO CCC[N@H+](CCN1C(=O)CCC1=O)CC(F)F ZINC000101731701 169157296 /nfs/dbraw/zinc/15/72/96/169157296.db2.gz SRPHSKTWSBPDML-UHFFFAOYSA-N 1 2 248.273 1.113 20 0 BDADLO CCC[N@@H+](CCN1C(=O)CCC1=O)CC(F)F ZINC000101731701 169157297 /nfs/dbraw/zinc/15/72/97/169157297.db2.gz SRPHSKTWSBPDML-UHFFFAOYSA-N 1 2 248.273 1.113 20 0 BDADLO CCCN(CCO)c1cc(C)[nH+]c(C2CC2)n1 ZINC000266282092 169168811 /nfs/dbraw/zinc/16/88/11/169168811.db2.gz UIUSTKAVACZMDW-UHFFFAOYSA-N 1 2 235.331 1.871 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000377586641 183305375 /nfs/dbraw/zinc/30/53/75/183305375.db2.gz VEICNJKCHBVKLC-UHFFFAOYSA-N 1 2 222.292 1.242 20 0 BDADLO c1c[nH]c(C[NH2+][C@@H]2CCCc3cn[nH]c32)n1 ZINC000309704354 183326117 /nfs/dbraw/zinc/32/61/17/183326117.db2.gz UUKUAUGMNJKUSG-SECBINFHSA-N 1 2 217.276 1.300 20 0 BDADLO CCCN1CCCN(c2cccc[nH+]2)CC1=O ZINC000276210578 169193169 /nfs/dbraw/zinc/19/31/69/169193169.db2.gz KDLDVKSQGLEOOB-UHFFFAOYSA-N 1 2 233.315 1.530 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2Cc2csnn2)[nH]1 ZINC000125349576 183328313 /nfs/dbraw/zinc/32/83/13/183328313.db2.gz SHZPHKGECKYOJA-JTQLQIEISA-N 1 2 249.343 1.988 20 0 BDADLO c1cc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)o2)n[nH]1 ZINC000366514311 183329332 /nfs/dbraw/zinc/32/93/32/183329332.db2.gz CWVYXVASLWVXLO-WCQYABFASA-N 1 2 245.282 1.643 20 0 BDADLO c1cc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)o2)n[nH]1 ZINC000366514311 183329333 /nfs/dbraw/zinc/32/93/33/183329333.db2.gz CWVYXVASLWVXLO-WCQYABFASA-N 1 2 245.282 1.643 20 0 BDADLO CCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377600538 169198418 /nfs/dbraw/zinc/19/84/18/169198418.db2.gz YJHYRWUUKDKPIE-QMMMGPOBSA-N 1 2 210.281 1.100 20 0 BDADLO CCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377600538 169198419 /nfs/dbraw/zinc/19/84/19/169198419.db2.gz YJHYRWUUKDKPIE-QMMMGPOBSA-N 1 2 210.281 1.100 20 0 BDADLO c1cc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)co1 ZINC000274088252 183331787 /nfs/dbraw/zinc/33/17/87/183331787.db2.gz RXRFJMYEZCJPHI-SNVBAGLBSA-N 1 2 246.270 1.002 20 0 BDADLO CCCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000037485770 169203484 /nfs/dbraw/zinc/20/34/84/169203484.db2.gz BSOKOYAVJWFSEU-OAHLLOKOSA-N 1 2 248.370 1.748 20 0 BDADLO O=C1N=NC2C[N@@H+]([C@H]3/C=C/CCCCC3)CCN12 ZINC000336331443 183310462 /nfs/dbraw/zinc/31/04/62/183310462.db2.gz XQICFARUPXKDKN-MALLOTDXSA-N 1 2 248.330 1.688 20 0 BDADLO O=C1N=NC2C[N@H+]([C@H]3/C=C/CCCCC3)CCN12 ZINC000336331443 183310464 /nfs/dbraw/zinc/31/04/64/183310464.db2.gz XQICFARUPXKDKN-MALLOTDXSA-N 1 2 248.330 1.688 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000336544469 183310618 /nfs/dbraw/zinc/31/06/18/183310618.db2.gz BVOPAHKOVYMNQP-SNVBAGLBSA-N 1 2 234.303 1.156 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000336544469 183310620 /nfs/dbraw/zinc/31/06/20/183310620.db2.gz BVOPAHKOVYMNQP-SNVBAGLBSA-N 1 2 234.303 1.156 20 0 BDADLO O=C1N=NC2C[N@H+](C[C@@H]3CC=CCC3)CCN12 ZINC000336544469 183310623 /nfs/dbraw/zinc/31/06/23/183310623.db2.gz BVOPAHKOVYMNQP-SNVBAGLBSA-N 1 2 234.303 1.156 20 0 BDADLO O=C1N=NC2C[N@@H+](C[C@@H]3CC=CCC3)CCN12 ZINC000336544469 183310627 /nfs/dbraw/zinc/31/06/27/183310627.db2.gz BVOPAHKOVYMNQP-SNVBAGLBSA-N 1 2 234.303 1.156 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1csc(C)n1 ZINC000035135860 169227850 /nfs/dbraw/zinc/22/78/50/169227850.db2.gz ZKJFLPPMRUXVCV-UHFFFAOYSA-N 1 2 227.333 1.067 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)on1 ZINC000285210734 183346534 /nfs/dbraw/zinc/34/65/34/183346534.db2.gz DQDZBJBHWVHBOH-LBPRGKRZSA-N 1 2 238.287 1.056 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)on1 ZINC000285210734 183346536 /nfs/dbraw/zinc/34/65/36/183346536.db2.gz DQDZBJBHWVHBOH-LBPRGKRZSA-N 1 2 238.287 1.056 20 0 BDADLO c1cc(C[NH2+]CCc2cn3c(n2)SCC3)[nH]n1 ZINC000274225490 183350140 /nfs/dbraw/zinc/35/01/40/183350140.db2.gz CPFZOURVMOLXRA-UHFFFAOYSA-N 1 2 249.343 1.044 20 0 BDADLO c1cc(N[C@H]2CCOC2)nc(C2CC2)[nH+]1 ZINC000301771054 183358613 /nfs/dbraw/zinc/35/86/13/183358613.db2.gz KUOVKHXZVFDQBN-VIFPVBQESA-N 1 2 205.261 1.555 20 0 BDADLO CCCNC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375001933 169222658 /nfs/dbraw/zinc/22/26/58/169222658.db2.gz FKJHJBBPSVCJTO-JTQLQIEISA-N 1 2 236.319 1.073 20 0 BDADLO CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280905551 169240022 /nfs/dbraw/zinc/24/00/22/169240022.db2.gz FEJQZPKIRPNUKP-UHFFFAOYSA-N 1 2 218.260 1.866 20 0 BDADLO c1[nH]nc(-c2ccccc2)c1C[NH+]1CCOCC1 ZINC000019722213 183378815 /nfs/dbraw/zinc/37/88/15/183378815.db2.gz UIJALDPPIWXLOK-UHFFFAOYSA-N 1 2 243.310 1.909 20 0 BDADLO c1nc(C[NH2+][C@@H]2CCOC2)nn1-c1ccccc1 ZINC000293397755 183386119 /nfs/dbraw/zinc/38/61/19/183386119.db2.gz LGWKUISRLUFVCE-LLVKDONJSA-N 1 2 244.298 1.146 20 0 BDADLO c1nc([C@H]2CCC[N@H+]2CCc2ccccn2)no1 ZINC000363636679 183391516 /nfs/dbraw/zinc/39/15/16/183391516.db2.gz DVTDQZNTECGJJI-GFCCVEGCSA-N 1 2 244.298 1.844 20 0 BDADLO c1nc([C@H]2CCC[N@@H+]2CCc2ccccn2)no1 ZINC000363636679 183391519 /nfs/dbraw/zinc/39/15/19/183391519.db2.gz DVTDQZNTECGJJI-GFCCVEGCSA-N 1 2 244.298 1.844 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOCC[C@H]1C ZINC000378506160 169299323 /nfs/dbraw/zinc/29/93/23/169299323.db2.gz QZSFXWILLWGHCJ-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOCC[C@H]1C ZINC000378506160 169299325 /nfs/dbraw/zinc/29/93/25/169299325.db2.gz QZSFXWILLWGHCJ-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCOc1ccc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000066594158 169318789 /nfs/dbraw/zinc/31/87/89/169318789.db2.gz XEDSSCXQXKHAGP-UHFFFAOYSA-N 1 2 246.314 1.883 20 0 BDADLO CCC[C@@H](CC)NC(=O)Cc1[nH]c[nH+]c1C ZINC000291391291 169375938 /nfs/dbraw/zinc/37/59/38/169375938.db2.gz AISVUUAAXVHLHK-SNVBAGLBSA-N 1 2 223.320 1.956 20 0 BDADLO CCC[C@@H](CC)NC(=O)Cc1[nH+]c[nH]c1C ZINC000291391291 169375939 /nfs/dbraw/zinc/37/59/39/169375939.db2.gz AISVUUAAXVHLHK-SNVBAGLBSA-N 1 2 223.320 1.956 20 0 BDADLO c1cn(CCSc2cccnn2)c[nH+]1 ZINC000358255038 183503712 /nfs/dbraw/zinc/50/37/12/183503712.db2.gz AZKYWVGVMPVNRL-UHFFFAOYSA-N 1 2 206.274 1.465 20 0 BDADLO c1cnn([C@H]2CC[N@@H+](Cc3cocn3)C2)c1 ZINC000291343473 183503729 /nfs/dbraw/zinc/50/37/29/183503729.db2.gz WGBBSXNFVDUAQC-NSHDSACASA-N 1 2 218.260 1.318 20 0 BDADLO c1cnn([C@H]2CC[N@H+](Cc3cocn3)C2)c1 ZINC000291343473 183503731 /nfs/dbraw/zinc/50/37/31/183503731.db2.gz WGBBSXNFVDUAQC-NSHDSACASA-N 1 2 218.260 1.318 20 0 BDADLO CCC[C@@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000361594786 169399540 /nfs/dbraw/zinc/39/95/40/169399540.db2.gz QIWQIBFUMYYXNQ-LLVKDONJSA-N 1 2 243.347 1.877 20 0 BDADLO COCCO[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000193558645 259606154 /nfs/dbraw/zinc/60/61/54/259606154.db2.gz YAVPVOAIJZZERU-GFCCVEGCSA-N 1 2 236.315 1.713 20 0 BDADLO NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000194032573 259613698 /nfs/dbraw/zinc/61/36/98/259613698.db2.gz WWUXWDNPWJTULT-UHFFFAOYSA-N 1 2 216.244 1.041 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cncs1 ZINC000225755470 134357476 /nfs/dbraw/zinc/35/74/76/134357476.db2.gz RHLGMSFWFYSTFO-UHFFFAOYSA-N 1 2 222.273 1.138 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H](C)[C@H](C)OC)C(C)C ZINC000229374748 259639844 /nfs/dbraw/zinc/63/98/44/259639844.db2.gz HNXQZIGVEXDRIL-UTLUCORTSA-N 1 2 217.309 1.197 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000647208188 383825711 /nfs/dbraw/zinc/82/57/11/383825711.db2.gz FIUYLEBBGVLFES-CBAPKCEASA-N 1 2 223.276 1.214 20 0 BDADLO CC(C)[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000069688897 383840796 /nfs/dbraw/zinc/84/07/96/383840796.db2.gz RPKFWTCBRMLTEE-QMMMGPOBSA-N 1 2 207.277 1.894 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000087416955 383842107 /nfs/dbraw/zinc/84/21/07/383842107.db2.gz UYSATQAEAFNLRB-OJKBXMANSA-N 1 2 238.114 1.800 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000087416955 383842115 /nfs/dbraw/zinc/84/21/15/383842115.db2.gz UYSATQAEAFNLRB-OJKBXMANSA-N 1 2 238.114 1.800 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1cccc(O)c1 ZINC000335714741 383864207 /nfs/dbraw/zinc/86/42/07/383864207.db2.gz ATGCYXVPEWIAIE-UHFFFAOYSA-N 1 2 231.255 1.056 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC000088054616 383878052 /nfs/dbraw/zinc/87/80/52/383878052.db2.gz WRMUWOUEEVCTPG-AOOOYVTPSA-N 1 2 206.245 1.371 20 0 BDADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC000088054616 383878056 /nfs/dbraw/zinc/87/80/56/383878056.db2.gz WRMUWOUEEVCTPG-AOOOYVTPSA-N 1 2 206.245 1.371 20 0 BDADLO Cc1cnc(C)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000088057892 383878625 /nfs/dbraw/zinc/87/86/25/383878625.db2.gz LHPKYXMYKDZWAA-JTQLQIEISA-N 1 2 231.303 1.791 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cn3ccsc3n2)n1 ZINC000112343457 383918507 /nfs/dbraw/zinc/91/85/07/383918507.db2.gz UWUNCIPTICDNKQ-UHFFFAOYSA-N 1 2 247.327 1.419 20 0 BDADLO O=c1cc[nH]c2cc(NCc3[nH]cc[nH+]3)ccc12 ZINC000558332992 383928159 /nfs/dbraw/zinc/92/81/59/383928159.db2.gz KDFSYSXVNOCFEO-UHFFFAOYSA-N 1 2 240.266 1.863 20 0 BDADLO C[C@@H](C(=O)N1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000336441104 383886370 /nfs/dbraw/zinc/88/63/70/383886370.db2.gz CWZSJASAMZTFIM-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H](NC(=O)c1cc(C)nn1C)c1[nH]cc[nH+]1 ZINC000140451786 383903537 /nfs/dbraw/zinc/90/35/37/383903537.db2.gz CZCZSCLKWWDQGV-SECBINFHSA-N 1 2 247.302 1.333 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CC=CCC1 ZINC000291137764 383981620 /nfs/dbraw/zinc/98/16/20/383981620.db2.gz WVVFVNNLCPKWLS-JTQLQIEISA-N 1 2 234.303 1.328 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348190098 383941693 /nfs/dbraw/zinc/94/16/93/383941693.db2.gz YFOKWEGATOZGDB-XLPZGREQSA-N 1 2 237.246 1.298 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CCCC1 ZINC000070650721 383951526 /nfs/dbraw/zinc/95/15/26/383951526.db2.gz IDZCYYGQDRXCQW-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO CCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000070651639 383951888 /nfs/dbraw/zinc/95/18/88/383951888.db2.gz FIFSRHJDGPAQJA-UHFFFAOYSA-N 1 2 209.293 1.996 20 0 BDADLO Clc1cc(C[N@@H+]2CCn3cnnc3C2)ccn1 ZINC000113163351 383970085 /nfs/dbraw/zinc/97/00/85/383970085.db2.gz KRFHVCPQZBDJQH-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1cc(C[N@H+]2CCn3cnnc3C2)ccn1 ZINC000113163351 383970094 /nfs/dbraw/zinc/97/00/94/383970094.db2.gz KRFHVCPQZBDJQH-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000560214890 383977192 /nfs/dbraw/zinc/97/71/92/383977192.db2.gz OBEHITLWPVVIRW-QWRGUYRKSA-N 1 2 236.319 1.053 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000560214890 383977200 /nfs/dbraw/zinc/97/72/00/383977200.db2.gz OBEHITLWPVVIRW-QWRGUYRKSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000560214890 383977209 /nfs/dbraw/zinc/97/72/09/383977209.db2.gz OBEHITLWPVVIRW-QWRGUYRKSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000560214890 383977219 /nfs/dbraw/zinc/97/72/19/383977219.db2.gz OBEHITLWPVVIRW-QWRGUYRKSA-N 1 2 236.319 1.053 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(CCO)cc1 ZINC000090167127 384031284 /nfs/dbraw/zinc/03/12/84/384031284.db2.gz FQULNLOSYKIGIQ-UHFFFAOYSA-N 1 2 231.299 1.567 20 0 BDADLO Cc1noc(CSCCn2cc[nH+]c2)n1 ZINC000090199913 384036331 /nfs/dbraw/zinc/03/63/31/384036331.db2.gz XRJFPJNQBXLUID-UHFFFAOYSA-N 1 2 224.289 1.508 20 0 BDADLO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000090969274 384087229 /nfs/dbraw/zinc/08/72/29/384087229.db2.gz QKQOPYBBMYOIBV-YGRLFVJLSA-N 1 2 242.326 1.838 20 0 BDADLO Cn1nccc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000569450681 384057190 /nfs/dbraw/zinc/05/71/90/384057190.db2.gz OLIJRHHRQFFRMN-UHFFFAOYSA-N 1 2 244.302 1.397 20 0 BDADLO Cn1nccc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000569450681 384057200 /nfs/dbraw/zinc/05/72/00/384057200.db2.gz OLIJRHHRQFFRMN-UHFFFAOYSA-N 1 2 244.302 1.397 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1ccc(C)cc1 ZINC000049949466 384070783 /nfs/dbraw/zinc/07/07/83/384070783.db2.gz CKXFHOIHPBMTPW-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1ccc(C)cc1 ZINC000049949466 384070790 /nfs/dbraw/zinc/07/07/90/384070790.db2.gz CKXFHOIHPBMTPW-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO C[NH+](C)[C@@H](CNC(N)=O)c1c(F)cccc1F ZINC000115779176 384099171 /nfs/dbraw/zinc/09/91/71/384099171.db2.gz MOGFCZJJHQYRSK-VIFPVBQESA-N 1 2 243.257 1.236 20 0 BDADLO COC(=O)CCC[N@H+](C)Cc1cc(C)on1 ZINC000050065132 384103834 /nfs/dbraw/zinc/10/38/34/384103834.db2.gz VGKUHTGLFHZJFS-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO COC(=O)CCC[N@@H+](C)Cc1cc(C)on1 ZINC000050065132 384103844 /nfs/dbraw/zinc/10/38/44/384103844.db2.gz VGKUHTGLFHZJFS-UHFFFAOYSA-N 1 2 226.276 1.368 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1cc(C)[nH+]cn1 ZINC000050087709 384108331 /nfs/dbraw/zinc/10/83/31/384108331.db2.gz CXNFOBDQAHVXQB-QMMMGPOBSA-N 1 2 223.276 1.030 20 0 BDADLO COC[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000078948462 384109069 /nfs/dbraw/zinc/10/90/69/384109069.db2.gz OGQYYFADQLNJPB-SSDOTTSWSA-N 1 2 213.306 1.494 20 0 BDADLO CC[C@H](NC(=O)c1cnn(C)c1C)c1[nH]cc[nH+]1 ZINC000140539178 384135267 /nfs/dbraw/zinc/13/52/67/384135267.db2.gz NYOYZQBSDHJMIO-JTQLQIEISA-N 1 2 247.302 1.333 20 0 BDADLO CC(C)c1nc(N(C)[C@@H](C)CO)cc[nH+]1 ZINC000152961319 384122179 /nfs/dbraw/zinc/12/21/79/384122179.db2.gz WURUKYDAYQXCTI-VIFPVBQESA-N 1 2 209.293 1.417 20 0 BDADLO Cc1nc(N2[C@H](C)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000530484479 384123128 /nfs/dbraw/zinc/12/31/28/384123128.db2.gz MIYKJZDVRAFTPA-OCAPTIKFSA-N 1 2 221.308 1.233 20 0 BDADLO Cc1nc(N(C)C)nc(N2[C@H](C)C[C@@H]2C)[nH+]1 ZINC000530484479 384123133 /nfs/dbraw/zinc/12/31/33/384123133.db2.gz MIYKJZDVRAFTPA-OCAPTIKFSA-N 1 2 221.308 1.233 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)CCc1c[nH+]c[nH]1 ZINC000291201958 384128391 /nfs/dbraw/zinc/12/83/91/384128391.db2.gz HQXGHZCSDMEYHC-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)CCc1c[nH]c[nH+]1 ZINC000291201958 384128395 /nfs/dbraw/zinc/12/83/95/384128395.db2.gz HQXGHZCSDMEYHC-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000116325552 384128791 /nfs/dbraw/zinc/12/87/91/384128791.db2.gz BMGDEBPWIWIXIR-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000116325552 384128793 /nfs/dbraw/zinc/12/87/93/384128793.db2.gz BMGDEBPWIWIXIR-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO COCCCn1nccc1C[N@@H+]1CC[C@H](F)C1 ZINC000449390615 384150898 /nfs/dbraw/zinc/15/08/98/384150898.db2.gz GVTBKPOFZXJAGP-NSHDSACASA-N 1 2 241.310 1.463 20 0 BDADLO COCCCn1nccc1C[N@H+]1CC[C@H](F)C1 ZINC000449390615 384150904 /nfs/dbraw/zinc/15/09/04/384150904.db2.gz GVTBKPOFZXJAGP-NSHDSACASA-N 1 2 241.310 1.463 20 0 BDADLO CC1(C)C[N@H+](Cc2cncs2)CCO1 ZINC000091917330 384155148 /nfs/dbraw/zinc/15/51/48/384155148.db2.gz RNWVTWLEGRIEFF-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO CC1(C)C[N@@H+](Cc2cncs2)CCO1 ZINC000091917330 384155155 /nfs/dbraw/zinc/15/51/55/384155155.db2.gz RNWVTWLEGRIEFF-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO COC[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000071271675 384158658 /nfs/dbraw/zinc/15/86/58/384158658.db2.gz VIYSSRHXNQWELM-LLVKDONJSA-N 1 2 232.283 1.654 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CC(C)C ZINC000040775586 384165576 /nfs/dbraw/zinc/16/55/76/384165576.db2.gz YIRRMOOMIZFXQE-LLVKDONJSA-N 1 2 211.309 1.215 20 0 BDADLO COC[C@@H](O)C[N@H+](C)Cc1c(F)cccc1F ZINC000092256862 384170530 /nfs/dbraw/zinc/17/05/30/384170530.db2.gz IHHBPGKVGZLZNR-VIFPVBQESA-N 1 2 245.269 1.404 20 0 BDADLO COC[C@@H](O)C[N@@H+](C)Cc1c(F)cccc1F ZINC000092256862 384170531 /nfs/dbraw/zinc/17/05/31/384170531.db2.gz IHHBPGKVGZLZNR-VIFPVBQESA-N 1 2 245.269 1.404 20 0 BDADLO Cn1ccc(C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000092586562 384185904 /nfs/dbraw/zinc/18/59/04/384185904.db2.gz LKYFCLBSOGFRLQ-UHFFFAOYSA-N 1 2 243.301 1.408 20 0 BDADLO CO[C@H](C)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336583914 384183747 /nfs/dbraw/zinc/18/37/47/384183747.db2.gz SHSQYNGRHARQMG-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@H](C)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336583914 384183751 /nfs/dbraw/zinc/18/37/51/384183751.db2.gz SHSQYNGRHARQMG-DTWKUNHWSA-N 1 2 207.264 1.998 20 0 BDADLO CC[C@H](C[N@@H+]1CCc2cn[nH]c2C1)OC ZINC000642698683 384191414 /nfs/dbraw/zinc/19/14/14/384191414.db2.gz DMFDNKYUQIFBEQ-SNVBAGLBSA-N 1 2 209.293 1.193 20 0 BDADLO CC[C@H](C[N@H+]1CCc2cn[nH]c2C1)OC ZINC000642698683 384191416 /nfs/dbraw/zinc/19/14/16/384191416.db2.gz DMFDNKYUQIFBEQ-SNVBAGLBSA-N 1 2 209.293 1.193 20 0 BDADLO Cc1ccn2cc(CNC(=O)N3CCC3)[nH+]c2c1 ZINC000072003218 384191741 /nfs/dbraw/zinc/19/17/41/384191741.db2.gz QWBPGQSCDDWQBJ-UHFFFAOYSA-N 1 2 244.298 1.558 20 0 BDADLO Cn1nnc(C[NH2+][C@H]2CCCc3sccc32)n1 ZINC000236149565 384194012 /nfs/dbraw/zinc/19/40/12/384194012.db2.gz KEJRSUSFOHEJAS-VIFPVBQESA-N 1 2 249.343 1.439 20 0 BDADLO COC(=O)CC[N@H+](Cc1cn[nH]c1C)C(C)C ZINC000093384111 384231854 /nfs/dbraw/zinc/23/18/54/384231854.db2.gz HOXGSYSUXQTTRW-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO COC(=O)CC[N@@H+](Cc1cn[nH]c1C)C(C)C ZINC000093384111 384231859 /nfs/dbraw/zinc/23/18/59/384231859.db2.gz HOXGSYSUXQTTRW-UHFFFAOYSA-N 1 2 239.319 1.492 20 0 BDADLO Cc1noc(C[N@H+](CCO)Cc2ccccc2)n1 ZINC000050515384 384217973 /nfs/dbraw/zinc/21/79/73/384217973.db2.gz OCDHTNBYRCFKII-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO Cc1noc(C[N@@H+](CCO)Cc2ccccc2)n1 ZINC000050515384 384217991 /nfs/dbraw/zinc/21/79/91/384217991.db2.gz OCDHTNBYRCFKII-UHFFFAOYSA-N 1 2 247.298 1.373 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000072588920 384227311 /nfs/dbraw/zinc/22/73/11/384227311.db2.gz NDUBBVPJZFQXOT-QWHCGFSZSA-N 1 2 249.310 1.357 20 0 BDADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000072588920 384227315 /nfs/dbraw/zinc/22/73/15/384227315.db2.gz NDUBBVPJZFQXOT-QWHCGFSZSA-N 1 2 249.310 1.357 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC1(C)C ZINC000119322507 384258155 /nfs/dbraw/zinc/25/81/55/384258155.db2.gz OFAKXPJXCKTPCM-SECBINFHSA-N 1 2 221.304 1.425 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000093809564 384267195 /nfs/dbraw/zinc/26/71/95/384267195.db2.gz VTVDGJYPKKFVJS-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000093809564 384267205 /nfs/dbraw/zinc/26/72/05/384267205.db2.gz VTVDGJYPKKFVJS-LLVKDONJSA-N 1 2 232.287 1.745 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000093809563 384269903 /nfs/dbraw/zinc/26/99/03/384269903.db2.gz VTVDGJYPKKFVJS-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000093809563 384269908 /nfs/dbraw/zinc/26/99/08/384269908.db2.gz VTVDGJYPKKFVJS-NSHDSACASA-N 1 2 232.287 1.745 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]c3ccccc3n2C)CO1 ZINC000335432236 384273020 /nfs/dbraw/zinc/27/30/20/384273020.db2.gz BFXBSLHNYWEERY-ZJUUUORDSA-N 1 2 231.299 1.585 20 0 BDADLO Cc1cc(NC[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000082997379 384273755 /nfs/dbraw/zinc/27/37/55/384273755.db2.gz JJUONEWWXYEEGN-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1cc(NC[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000082997378 384274268 /nfs/dbraw/zinc/27/42/68/384274268.db2.gz JJUONEWWXYEEGN-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO C[C@@H](NC(=O)[C@H]1O[C@H](C)C[C@@H]1C)c1[nH]cc[nH+]1 ZINC000560699781 384306611 /nfs/dbraw/zinc/30/66/11/384306611.db2.gz HZZRGWMIZHVHDW-JLIMGVALSA-N 1 2 237.303 1.400 20 0 BDADLO Cc1nc(N2CCC[C@@H]2C(C)C)nc(N)[nH+]1 ZINC000304448825 384310326 /nfs/dbraw/zinc/31/03/26/384310326.db2.gz JPFRRPSEGHZTMO-SECBINFHSA-N 1 2 221.308 1.387 20 0 BDADLO Cc1nc(N)nc(N2CCC[C@@H]2C(C)C)[nH+]1 ZINC000304448825 384310334 /nfs/dbraw/zinc/31/03/34/384310334.db2.gz JPFRRPSEGHZTMO-SECBINFHSA-N 1 2 221.308 1.387 20 0 BDADLO Cn1nncc1C[NH+]1Cc2ccccc2C1 ZINC000119944984 384319375 /nfs/dbraw/zinc/31/93/75/384319375.db2.gz PMVBUVDSAKIACX-UHFFFAOYSA-N 1 2 214.272 1.331 20 0 BDADLO CN(CCn1cc[nH+]c1)OCc1ccccc1 ZINC000133343615 384285286 /nfs/dbraw/zinc/28/52/86/384285286.db2.gz KTCDSPLJZROHMZ-UHFFFAOYSA-N 1 2 231.299 1.947 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000075776950 384339226 /nfs/dbraw/zinc/33/92/26/384339226.db2.gz DSSPNXMKYHIAOR-MRVPVSSYSA-N 1 2 233.262 1.481 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000075776950 384339233 /nfs/dbraw/zinc/33/92/33/384339233.db2.gz DSSPNXMKYHIAOR-MRVPVSSYSA-N 1 2 233.262 1.481 20 0 BDADLO Cc1nc(N2CCCC3(C2)OCCO3)cc[nH+]1 ZINC000134222258 384340393 /nfs/dbraw/zinc/34/03/93/384340393.db2.gz WJRVFGNCLWBFFE-UHFFFAOYSA-N 1 2 235.287 1.128 20 0 BDADLO C[C@@H](CC(=O)N(C)C)[NH2+]C1(C(F)F)CC1 ZINC000308846316 384352650 /nfs/dbraw/zinc/35/26/50/384352650.db2.gz MISPKBXPLFRAEW-ZETCQYMHSA-N 1 2 220.263 1.241 20 0 BDADLO CC(C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000012485280 384323575 /nfs/dbraw/zinc/32/35/75/384323575.db2.gz URDKLOWKPJEQLK-QMMMGPOBSA-N 1 2 219.292 1.820 20 0 BDADLO Cc1nc(N[C@@H]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000304476568 384325011 /nfs/dbraw/zinc/32/50/11/384325011.db2.gz NZCOYSAPMGHDMB-VXNVDRBHSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC[C@H]2C)[nH+]1 ZINC000304476568 384325019 /nfs/dbraw/zinc/32/50/19/384325019.db2.gz NZCOYSAPMGHDMB-VXNVDRBHSA-N 1 2 221.308 1.753 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000168826272 384326973 /nfs/dbraw/zinc/32/69/73/384326973.db2.gz NEFSEEKCAIZQPU-VIFPVBQESA-N 1 2 208.261 1.672 20 0 BDADLO Cc1cc(N[C@H]2CO[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000402006574 384393182 /nfs/dbraw/zinc/39/31/82/384393182.db2.gz AGTNWBCRZVNISN-GHMZBOCLSA-N 1 2 235.331 1.920 20 0 BDADLO Cn1cnc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000121071254 384394341 /nfs/dbraw/zinc/39/43/41/384394341.db2.gz YRTNEQVQRCTVLB-UHFFFAOYSA-N 1 2 230.275 1.095 20 0 BDADLO COC[C@](C)([NH2+]CC1CCCCC1)C(=O)OC ZINC000121130940 384396765 /nfs/dbraw/zinc/39/67/65/384396765.db2.gz LSVKMKMNEVQZPC-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)C[C@H]1F ZINC000335631960 384406616 /nfs/dbraw/zinc/40/66/16/384406616.db2.gz FFRYBYDYDANHAV-GMSGAONNSA-N 1 2 209.224 1.181 20 0 BDADLO C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)C[C@@H]1F ZINC000335631963 384406808 /nfs/dbraw/zinc/40/68/08/384406808.db2.gz FFRYBYDYDANHAV-XVKPBYJWSA-N 1 2 209.224 1.181 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H](C)CO ZINC000121239639 384407806 /nfs/dbraw/zinc/40/78/06/384407806.db2.gz HOIBVHDKRFHJDH-UWVGGRQHSA-N 1 2 237.303 1.528 20 0 BDADLO CCc1ccc(CNc2nc(C)[nH+]c(N)n2)s1 ZINC000302622851 384420471 /nfs/dbraw/zinc/42/04/71/384420471.db2.gz ODVXJARBYBSRCH-UHFFFAOYSA-N 1 2 249.343 1.998 20 0 BDADLO CCc1ccc(CNc2nc(N)nc(C)[nH+]2)s1 ZINC000302622851 384420476 /nfs/dbraw/zinc/42/04/76/384420476.db2.gz ODVXJARBYBSRCH-UHFFFAOYSA-N 1 2 249.343 1.998 20 0 BDADLO c1c[nH+]c(COCCC[C@H]2CCOC2)[nH]1 ZINC000647119350 384423563 /nfs/dbraw/zinc/42/35/63/384423563.db2.gz OUFKFUZDXUJPJI-JTQLQIEISA-N 1 2 210.277 1.743 20 0 BDADLO CC[C@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000642704396 384378220 /nfs/dbraw/zinc/37/82/20/384378220.db2.gz TVVSKEKKQIECFC-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000642704396 384378224 /nfs/dbraw/zinc/37/82/24/384378224.db2.gz TVVSKEKKQIECFC-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[N@H+](Cc1cncc(F)c1)C1COC1 ZINC000449428128 384382721 /nfs/dbraw/zinc/38/27/21/384382721.db2.gz UFZNDTKSVMCUQQ-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO CC[N@@H+](Cc1cncc(F)c1)C1COC1 ZINC000449428128 384382723 /nfs/dbraw/zinc/38/27/23/384382723.db2.gz UFZNDTKSVMCUQQ-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO Cc1cc(NC(=O)c2cncc(F)c2)cc[nH+]1 ZINC000334211467 384388458 /nfs/dbraw/zinc/38/84/58/384388458.db2.gz GYZUVPYKRXXZCA-UHFFFAOYSA-N 1 2 231.230 1.598 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000160985300 384453380 /nfs/dbraw/zinc/45/33/80/384453380.db2.gz WDEORSFGICJVBJ-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000160985300 384453387 /nfs/dbraw/zinc/45/33/87/384453387.db2.gz WDEORSFGICJVBJ-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1CCOC1 ZINC000135253291 384428678 /nfs/dbraw/zinc/42/86/78/384428678.db2.gz PAYVTQNLAWOCAM-RKDXNWHRSA-N 1 2 247.302 1.200 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000121696041 384433089 /nfs/dbraw/zinc/43/30/89/384433089.db2.gz GNSWIHLMUXUULZ-MNOVXSKESA-N 1 2 249.314 1.937 20 0 BDADLO CCc1cc(N[C@H]2CO[C@H](C)C2)nc[nH+]1 ZINC000402125825 384496977 /nfs/dbraw/zinc/49/69/77/384496977.db2.gz FZQAXUJXKFHJIL-PSASIEDQSA-N 1 2 207.277 1.628 20 0 BDADLO Cc1n[nH]cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000070983917 384489510 /nfs/dbraw/zinc/48/95/10/384489510.db2.gz ASVVEJLWHYPGDH-UHFFFAOYSA-N 1 2 247.302 1.125 20 0 BDADLO Cc1ccsc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000123081426 384534102 /nfs/dbraw/zinc/53/41/02/384534102.db2.gz LGOKTXZCWGTFIL-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO C[C@@H]1C[C@H](O)CN1c1[nH+]c2ccccc2n1C ZINC000335857463 384526159 /nfs/dbraw/zinc/52/61/59/384526159.db2.gz ZHBOMOMIGHHKBB-ZJUUUORDSA-N 1 2 231.299 1.533 20 0 BDADLO FC(F)(F)SCC[NH2+]Cc1ccn[nH]1 ZINC000171129865 384553635 /nfs/dbraw/zinc/55/36/35/384553635.db2.gz RDYTUVPKDRZOKS-UHFFFAOYSA-N 1 2 225.239 1.752 20 0 BDADLO CSCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000363886911 384558647 /nfs/dbraw/zinc/55/86/47/384558647.db2.gz YTUGHULUZCPDSR-LLVKDONJSA-N 1 2 248.355 1.847 20 0 BDADLO C[C@H](O)CSCc1cn2ccccc2[nH+]1 ZINC000298268168 384572186 /nfs/dbraw/zinc/57/21/86/384572186.db2.gz OYGFNBLQFOZJOP-VIFPVBQESA-N 1 2 222.313 1.948 20 0 BDADLO COC(=O)[C@H](CC(C)C)NCc1[nH+]ccn1C ZINC000049856740 384574575 /nfs/dbraw/zinc/57/45/75/384574575.db2.gz ONSBMGPEFGZULG-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccc(OC)c1 ZINC000049949392 384578745 /nfs/dbraw/zinc/57/87/45/384578745.db2.gz BZEQEHBABPFCFK-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccc(OC)c1 ZINC000049949392 384578751 /nfs/dbraw/zinc/57/87/51/384578751.db2.gz BZEQEHBABPFCFK-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CC[N@H+](CCOc1ccccc1)CC(=O)OC ZINC000049947895 384580596 /nfs/dbraw/zinc/58/05/96/384580596.db2.gz ODFPXGDJUSULCP-UHFFFAOYSA-N 1 2 237.299 1.560 20 0 BDADLO CC[N@@H+](CCOc1ccccc1)CC(=O)OC ZINC000049947895 384580601 /nfs/dbraw/zinc/58/06/01/384580601.db2.gz ODFPXGDJUSULCP-UHFFFAOYSA-N 1 2 237.299 1.560 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1csc(C)n1 ZINC000172319610 384564440 /nfs/dbraw/zinc/56/44/40/384564440.db2.gz LEKYVBUHEXIWQQ-QMMMGPOBSA-N 1 2 214.334 1.918 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1csc(C)n1 ZINC000172319610 384564446 /nfs/dbraw/zinc/56/44/46/384564446.db2.gz LEKYVBUHEXIWQQ-QMMMGPOBSA-N 1 2 214.334 1.918 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000049774116 384564600 /nfs/dbraw/zinc/56/46/00/384564600.db2.gz SXFUSXFMPQVAHK-VIFPVBQESA-N 1 2 243.738 1.278 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000049774116 384564609 /nfs/dbraw/zinc/56/46/09/384564609.db2.gz SXFUSXFMPQVAHK-VIFPVBQESA-N 1 2 243.738 1.278 20 0 BDADLO CC[N@H+](Cc1nc(CCOC)no1)C1CC1 ZINC000171616134 384613647 /nfs/dbraw/zinc/61/36/47/384613647.db2.gz OXUKWOGYCONNQB-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CC[N@@H+](Cc1nc(CCOC)no1)C1CC1 ZINC000171616134 384613651 /nfs/dbraw/zinc/61/36/51/384613651.db2.gz OXUKWOGYCONNQB-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CC[C@](C)([NH2+]CCSC)C(=O)OC ZINC000336652364 384626667 /nfs/dbraw/zinc/62/66/67/384626667.db2.gz KXFACSHPIITGLN-VIFPVBQESA-N 1 2 205.323 1.281 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1nc(C)cs1 ZINC000081665417 384627983 /nfs/dbraw/zinc/62/79/83/384627983.db2.gz CUYYTRDDSTYDCN-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1nc(C)cs1 ZINC000081665417 384627991 /nfs/dbraw/zinc/62/79/91/384627991.db2.gz CUYYTRDDSTYDCN-UHFFFAOYSA-N 1 2 241.360 1.539 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000172885065 384631950 /nfs/dbraw/zinc/63/19/50/384631950.db2.gz ICWRSNVMWQTVGU-CYBMUJFWSA-N 1 2 239.290 1.673 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000172885065 384631960 /nfs/dbraw/zinc/63/19/60/384631960.db2.gz ICWRSNVMWQTVGU-CYBMUJFWSA-N 1 2 239.290 1.673 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000184950618 384664919 /nfs/dbraw/zinc/66/49/19/384664919.db2.gz FATXCXAIUQBTBT-WDEREUQCSA-N 1 2 221.304 1.291 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000051562732 384672670 /nfs/dbraw/zinc/67/26/70/384672670.db2.gz ZCYJTENTZUVUMU-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000051562732 384672677 /nfs/dbraw/zinc/67/26/77/384672677.db2.gz ZCYJTENTZUVUMU-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC[C@H](C)F ZINC000309636231 384673169 /nfs/dbraw/zinc/67/31/69/384673169.db2.gz JLZLOTURYYXSFQ-ZETCQYMHSA-N 1 2 223.255 1.616 20 0 BDADLO C[C@@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC000172990734 384645061 /nfs/dbraw/zinc/64/50/61/384645061.db2.gz MAXWLNIZQNEZMJ-LLVKDONJSA-N 1 2 237.299 1.042 20 0 BDADLO C[C@@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000172990734 384645069 /nfs/dbraw/zinc/64/50/69/384645069.db2.gz MAXWLNIZQNEZMJ-LLVKDONJSA-N 1 2 237.299 1.042 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)OCC1CC1 ZINC000496395337 533083838 /nfs/dbraw/zinc/08/38/38/533083838.db2.gz DYKUCRNVNOXULM-UHFFFAOYSA-N 1 2 236.271 1.726 20 0 BDADLO CCC[C@](C)(O)C(=O)Nc1c[nH+]ccc1OC ZINC000124627849 384660674 /nfs/dbraw/zinc/66/06/74/384660674.db2.gz JVVOPBHNCDBTKN-LBPRGKRZSA-N 1 2 238.287 1.580 20 0 BDADLO Cc1cc(C[NH2+]Cc2c[nH]nc2C)no1 ZINC000044692786 384661978 /nfs/dbraw/zinc/66/19/78/384661978.db2.gz ZJDBQFKPPVHGLQ-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO C[N@H+](CCO)Cc1ccn(C2CCCC2)n1 ZINC000082877186 384723871 /nfs/dbraw/zinc/72/38/71/384723871.db2.gz WXBMTBWSFYMFNX-UHFFFAOYSA-N 1 2 223.320 1.422 20 0 BDADLO C[N@@H+](CCO)Cc1ccn(C2CCCC2)n1 ZINC000082877186 384723881 /nfs/dbraw/zinc/72/38/81/384723881.db2.gz WXBMTBWSFYMFNX-UHFFFAOYSA-N 1 2 223.320 1.422 20 0 BDADLO Cc1ccoc1CNCc1[nH+]cc(C)n1C ZINC000309866149 384679466 /nfs/dbraw/zinc/67/94/66/384679466.db2.gz OQFLVCPEPFOOLY-UHFFFAOYSA-N 1 2 219.288 1.920 20 0 BDADLO Cc1ccoc1C[NH2+]Cc1ncc(C)n1C ZINC000309866149 384679474 /nfs/dbraw/zinc/67/94/74/384679474.db2.gz OQFLVCPEPFOOLY-UHFFFAOYSA-N 1 2 219.288 1.920 20 0 BDADLO CCCCN(CC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000363950177 384708181 /nfs/dbraw/zinc/70/81/81/384708181.db2.gz CPMXPHQZGVPQEY-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000363950177 384708191 /nfs/dbraw/zinc/70/81/91/384708191.db2.gz CPMXPHQZGVPQEY-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CC[N@H+](CC(=O)NC1CC1)Cc1ccccn1 ZINC000125318554 384711778 /nfs/dbraw/zinc/71/17/78/384711778.db2.gz JSULDMYYWHSSDH-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CC[N@@H+](CC(=O)NC1CC1)Cc1ccccn1 ZINC000125318554 384711786 /nfs/dbraw/zinc/71/17/86/384711786.db2.gz JSULDMYYWHSSDH-UHFFFAOYSA-N 1 2 233.315 1.182 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCOC)o1 ZINC000126116146 384773437 /nfs/dbraw/zinc/77/34/37/384773437.db2.gz PZFKBLCYYNCRFI-LBPRGKRZSA-N 1 2 239.315 1.862 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@H+]2CCOC)o1 ZINC000126116146 384773451 /nfs/dbraw/zinc/77/34/51/384773451.db2.gz PZFKBLCYYNCRFI-LBPRGKRZSA-N 1 2 239.315 1.862 20 0 BDADLO CCOCCSc1nc(N)cc(CC)[nH+]1 ZINC000279072798 384775541 /nfs/dbraw/zinc/77/55/41/384775541.db2.gz KLAAEIGVLWBMNT-UHFFFAOYSA-N 1 2 227.333 1.750 20 0 BDADLO CCc1cc(N)nc(S[C@H]2CCOC2)[nH+]1 ZINC000279017937 384732918 /nfs/dbraw/zinc/73/29/18/384732918.db2.gz BMGBGUSQKFLLKS-QMMMGPOBSA-N 1 2 225.317 1.502 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000126107537 384733598 /nfs/dbraw/zinc/73/35/98/384733598.db2.gz LIFZYIWWXHPLJN-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000126107537 384733609 /nfs/dbraw/zinc/73/36/09/384733609.db2.gz LIFZYIWWXHPLJN-SNVBAGLBSA-N 1 2 225.292 1.379 20 0 BDADLO CC(C)(C)c1nc(=N[C@@H]2CC[C@@H](C[NH3+])C2)[nH]o1 ZINC000518144064 384738392 /nfs/dbraw/zinc/73/83/92/384738392.db2.gz LHABSKYGHOSMCA-RKDXNWHRSA-N 1 2 238.335 1.328 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C)c2C)[nH]c1C ZINC000568272824 384741617 /nfs/dbraw/zinc/74/16/17/384741617.db2.gz ACDKEFMXKPGETN-SNVBAGLBSA-N 1 2 247.346 1.919 20 0 BDADLO Cc1[nH]c(CN[C@H](C)c2cnn(C)c2C)[nH+]c1C ZINC000568272824 384741622 /nfs/dbraw/zinc/74/16/22/384741622.db2.gz ACDKEFMXKPGETN-SNVBAGLBSA-N 1 2 247.346 1.919 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCOC(C)C)CC2 ZINC000363726260 384744953 /nfs/dbraw/zinc/74/49/53/384744953.db2.gz ZKRCUSTZSQCFCA-UHFFFAOYSA-N 1 2 223.320 1.432 20 0 BDADLO Cc1c(CNc2cccc[nH+]2)cnn1C ZINC000126219517 384748895 /nfs/dbraw/zinc/74/88/95/384748895.db2.gz CLCKNYACLZHSTL-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@H]1C[C@@H]1C ZINC000449625974 384750826 /nfs/dbraw/zinc/75/08/26/384750826.db2.gz CQBCMCIKIBFDBK-XHNCKOQMSA-N 1 2 207.264 1.590 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1C[C@@H]1C ZINC000449625974 384750835 /nfs/dbraw/zinc/75/08/35/384750835.db2.gz CQBCMCIKIBFDBK-XHNCKOQMSA-N 1 2 207.264 1.590 20 0 BDADLO CC[C@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000363770893 384821004 /nfs/dbraw/zinc/82/10/04/384821004.db2.gz VLIMMAAPAOHQFQ-NSHDSACASA-N 1 2 217.272 1.716 20 0 BDADLO CCC[C@H](OCC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000528534313 384829789 /nfs/dbraw/zinc/82/97/89/384829789.db2.gz PSYUMDYDFOVTQH-LBPRGKRZSA-N 1 2 236.315 1.956 20 0 BDADLO CO[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000174725683 384831830 /nfs/dbraw/zinc/83/18/30/384831830.db2.gz VVHZVAYWGFUGCD-JTQLQIEISA-N 1 2 207.277 1.400 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](O)C2)o1 ZINC000303982067 384832805 /nfs/dbraw/zinc/83/28/05/384832805.db2.gz GBPITDCTIRENBU-BDAKNGLRSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](O)C2)o1 ZINC000303982067 384832810 /nfs/dbraw/zinc/83/28/10/384832810.db2.gz GBPITDCTIRENBU-BDAKNGLRSA-N 1 2 225.292 1.150 20 0 BDADLO C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H]1C ZINC000291730104 384835228 /nfs/dbraw/zinc/83/52/28/384835228.db2.gz BRCXYJALTJZJOP-AOOOYVTPSA-N 1 2 236.319 1.218 20 0 BDADLO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336753126 384781269 /nfs/dbraw/zinc/78/12/69/384781269.db2.gz DSGHIMZRVUWZNS-YUMQZZPRSA-N 1 2 242.348 1.274 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C(=O)OC ZINC000310026354 384790501 /nfs/dbraw/zinc/79/05/01/384790501.db2.gz PMNOLEZPVOULQX-GARJFASQSA-N 1 2 229.320 1.485 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OCC ZINC000398075081 384796912 /nfs/dbraw/zinc/79/69/12/384796912.db2.gz KPJNKCIMCHYRGQ-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1cc(N)nc(SCC(C)=O)[nH+]1 ZINC000308564360 384800924 /nfs/dbraw/zinc/80/09/24/384800924.db2.gz HBHVHLXKHGKVDC-UHFFFAOYSA-N 1 2 211.290 1.302 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC=CCC1 ZINC000517757819 384870537 /nfs/dbraw/zinc/87/05/37/384870537.db2.gz WGQVXYLGKNATSL-QMMMGPOBSA-N 1 2 220.276 1.588 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC=CCC1 ZINC000517757819 384870543 /nfs/dbraw/zinc/87/05/43/384870543.db2.gz WGQVXYLGKNATSL-QMMMGPOBSA-N 1 2 220.276 1.588 20 0 BDADLO Cc1c(C[NH2+][C@H](C)c2csnn2)cnn1C ZINC000398287077 384887241 /nfs/dbraw/zinc/88/72/41/384887241.db2.gz NUOXSWPDRAERGG-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1cc(N2CCC([C@H](C)O)CC2)nc[nH+]1 ZINC000225738273 384887621 /nfs/dbraw/zinc/88/76/21/384887621.db2.gz OLCGTGDPNZPKEJ-JTQLQIEISA-N 1 2 221.304 1.382 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1occc1C ZINC000310108606 384838668 /nfs/dbraw/zinc/83/86/68/384838668.db2.gz DRASBIFLQLIHAC-LBPRGKRZSA-N 1 2 237.299 1.971 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1occc1C ZINC000310108606 384838673 /nfs/dbraw/zinc/83/86/73/384838673.db2.gz DRASBIFLQLIHAC-LBPRGKRZSA-N 1 2 237.299 1.971 20 0 BDADLO c1cn(CCCNc2cccc[nH+]2)nn1 ZINC000127425536 384861525 /nfs/dbraw/zinc/86/15/25/384861525.db2.gz JYCODZFWPZXJCY-UHFFFAOYSA-N 1 2 203.249 1.175 20 0 BDADLO CC[C@@H](CO)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000294127013 384862557 /nfs/dbraw/zinc/86/25/57/384862557.db2.gz OHYMCOJQIXBRHW-VIFPVBQESA-N 1 2 219.288 1.770 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cccnc1 ZINC000186670651 384865729 /nfs/dbraw/zinc/86/57/29/384865729.db2.gz USROJIAYNPOLAE-ZDUSSCGKSA-N 1 2 232.283 1.363 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cccnc1 ZINC000186670651 384865737 /nfs/dbraw/zinc/86/57/37/384865737.db2.gz USROJIAYNPOLAE-ZDUSSCGKSA-N 1 2 232.283 1.363 20 0 BDADLO COC[C@H](C)[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360183397 384900440 /nfs/dbraw/zinc/90/04/40/384900440.db2.gz KRBGFPOUVJRLRN-UWVGGRQHSA-N 1 2 239.319 1.287 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1COCC[N@@H+]1C ZINC000644495009 384914227 /nfs/dbraw/zinc/91/42/27/384914227.db2.gz JKONZPDKPGXQSG-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1COCC[N@H+]1C ZINC000644495009 384914230 /nfs/dbraw/zinc/91/42/30/384914230.db2.gz JKONZPDKPGXQSG-QWRGUYRKSA-N 1 2 240.347 1.107 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000177225181 384918547 /nfs/dbraw/zinc/91/85/47/384918547.db2.gz XQKLMSYZHNRRQT-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000177225181 384918553 /nfs/dbraw/zinc/91/85/53/384918553.db2.gz XQKLMSYZHNRRQT-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(F)cc1C ZINC000127977576 384919461 /nfs/dbraw/zinc/91/94/61/384919461.db2.gz AOEFXOAMRDLWPV-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(F)cc1C ZINC000127977576 384919465 /nfs/dbraw/zinc/91/94/65/384919465.db2.gz AOEFXOAMRDLWPV-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO C[C@H](CCO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301837780 384921484 /nfs/dbraw/zinc/92/14/84/384921484.db2.gz WGLIBNGLQRIQMY-SECBINFHSA-N 1 2 223.320 1.957 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)CC(C)(C)O ZINC000187299036 384934225 /nfs/dbraw/zinc/93/42/25/384934225.db2.gz NKCRMYVNOKUMIX-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)CC(C)(C)O ZINC000187299036 384934228 /nfs/dbraw/zinc/93/42/28/384934228.db2.gz NKCRMYVNOKUMIX-UHFFFAOYSA-N 1 2 231.727 1.276 20 0 BDADLO Cc1c(NCc2cn(C)c[nH+]2)n[nH]c1C(C)C ZINC000647241085 384965071 /nfs/dbraw/zinc/96/50/71/384965071.db2.gz CXKBJNLFNRPSBC-UHFFFAOYSA-N 1 2 233.319 1.609 20 0 BDADLO Cc1ccoc1C[NH+]1CCN(C2CC2)CC1 ZINC000127938349 384969498 /nfs/dbraw/zinc/96/94/98/384969498.db2.gz LROQCUOATJYQGX-UHFFFAOYSA-N 1 2 220.316 1.868 20 0 BDADLO CCc1cc(N)nc(SC[C@H]2CCOC2)[nH+]1 ZINC000279146638 384971232 /nfs/dbraw/zinc/97/12/32/384971232.db2.gz ZGOCUNYWNWGVRI-QMMMGPOBSA-N 1 2 239.344 1.750 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000336294635 384974961 /nfs/dbraw/zinc/97/49/61/384974961.db2.gz PQGCNADCTCDQNF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000336294635 384974972 /nfs/dbraw/zinc/97/49/72/384974972.db2.gz PQGCNADCTCDQNF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000336294635 384974977 /nfs/dbraw/zinc/97/49/77/384974977.db2.gz PQGCNADCTCDQNF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000336294635 384974985 /nfs/dbraw/zinc/97/49/85/384974985.db2.gz PQGCNADCTCDQNF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000336294635 384974994 /nfs/dbraw/zinc/97/49/94/384974994.db2.gz PQGCNADCTCDQNF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000336294635 384975002 /nfs/dbraw/zinc/97/50/02/384975002.db2.gz PQGCNADCTCDQNF-LLVKDONJSA-N 1 2 238.360 1.524 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000127975471 384976791 /nfs/dbraw/zinc/97/67/91/384976791.db2.gz KYKXXSDEEQMEEO-LBPRGKRZSA-N 1 2 249.358 1.847 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000127975471 384976797 /nfs/dbraw/zinc/97/67/97/384976797.db2.gz KYKXXSDEEQMEEO-LBPRGKRZSA-N 1 2 249.358 1.847 20 0 BDADLO Cc1nsc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC000302484841 384994662 /nfs/dbraw/zinc/99/46/62/384994662.db2.gz HUOWZCOACWZVRH-UHFFFAOYSA-N 1 2 235.316 1.460 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000335647418 384997581 /nfs/dbraw/zinc/99/75/81/384997581.db2.gz SSXFBJZLVFJTSC-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000335647418 384997588 /nfs/dbraw/zinc/99/75/88/384997588.db2.gz SSXFBJZLVFJTSC-ZYHUDNBSSA-N 1 2 225.288 1.170 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000530662830 385005164 /nfs/dbraw/zinc/00/51/64/385005164.db2.gz GSOBNXFQYOHCSG-UHFFFAOYSA-N 1 2 236.315 1.302 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000530662830 385005168 /nfs/dbraw/zinc/00/51/68/385005168.db2.gz GSOBNXFQYOHCSG-UHFFFAOYSA-N 1 2 236.315 1.302 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc[nH]2)sn1 ZINC000404474821 385009565 /nfs/dbraw/zinc/00/95/65/385009565.db2.gz VLJGABDKYFTSEO-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2C=C[C@H](CO)C2)c1Cl ZINC000302890023 385012274 /nfs/dbraw/zinc/01/22/74/385012274.db2.gz NIYVDWBMFDOQQF-NKWVEPMBSA-N 1 2 240.694 1.061 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2C=C[C@H](CO)C2)c1Cl ZINC000302890023 385012278 /nfs/dbraw/zinc/01/22/78/385012278.db2.gz NIYVDWBMFDOQQF-NKWVEPMBSA-N 1 2 240.694 1.061 20 0 BDADLO Cc1cn2c([nH+]1)CN([C@@H](C)c1cnccn1)CC2 ZINC000364123833 385018682 /nfs/dbraw/zinc/01/86/82/385018682.db2.gz YUNHEFBYUPJUNI-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(C)[nH]1 ZINC000642897146 384962275 /nfs/dbraw/zinc/96/22/75/384962275.db2.gz XHOVLHXXZWPOEK-UHFFFAOYSA-N 1 2 244.298 1.484 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)Nc1cc[nH+]cc1C ZINC000107285585 384962705 /nfs/dbraw/zinc/96/27/05/384962705.db2.gz YEHUGDBMWDDNBG-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCc3n[nH]cc3C2)cn1 ZINC000408372721 385049681 /nfs/dbraw/zinc/04/96/81/385049681.db2.gz DFTQSICLRBAMES-JTQLQIEISA-N 1 2 243.314 1.627 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCc3n[nH]cc3C2)cn1 ZINC000408372721 385049685 /nfs/dbraw/zinc/04/96/85/385049685.db2.gz DFTQSICLRBAMES-JTQLQIEISA-N 1 2 243.314 1.627 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000106003389 385077559 /nfs/dbraw/zinc/07/75/59/385077559.db2.gz FOTJLDADRIYSEO-OTQAPUNGSA-N 1 2 217.696 1.766 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000106003389 385077560 /nfs/dbraw/zinc/07/75/60/385077560.db2.gz FOTJLDADRIYSEO-OTQAPUNGSA-N 1 2 217.696 1.766 20 0 BDADLO CSCC(=O)Nc1ccc(C)[nH+]c1C ZINC000176190907 385037471 /nfs/dbraw/zinc/03/74/71/385037471.db2.gz UENCKGBFXJPWBS-UHFFFAOYSA-N 1 2 210.302 2.000 20 0 BDADLO C[C@H]1[NH2+]CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@H]1C ZINC000262715815 385040874 /nfs/dbraw/zinc/04/08/74/385040874.db2.gz DNYBDRWLPNBIFR-BDAKNGLRSA-N 1 2 248.330 1.110 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000360620213 385041452 /nfs/dbraw/zinc/04/14/52/385041452.db2.gz NFDDDBDMVMSYGU-MWLCHTKSSA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C(=O)OC ZINC000308738695 385045828 /nfs/dbraw/zinc/04/58/28/385045828.db2.gz NBPBRGZINCRPDO-VGMNWLOBSA-N 1 2 203.257 1.418 20 0 BDADLO Cc1ccc(NC(=O)C(=O)N(C)C2CC2)c(C)[nH+]1 ZINC000129078855 385107970 /nfs/dbraw/zinc/10/79/70/385107970.db2.gz DDTHPZYKAJVYAL-UHFFFAOYSA-N 1 2 247.298 1.258 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000109889338 385112956 /nfs/dbraw/zinc/11/29/56/385112956.db2.gz HSRUFYBEKGIISJ-ZETCQYMHSA-N 1 2 210.233 1.151 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCC[C@@H]1O ZINC000287667806 385114434 /nfs/dbraw/zinc/11/44/34/385114434.db2.gz XJEKDUFJKAHTHU-QWRGUYRKSA-N 1 2 249.314 1.733 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000557771758 385119221 /nfs/dbraw/zinc/11/92/21/385119221.db2.gz JPIFSGOJALJXIV-GRYCIOLGSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000557771759 385120753 /nfs/dbraw/zinc/12/07/53/385120753.db2.gz JPIFSGOJALJXIV-IJLUTSLNSA-N 1 2 249.358 1.904 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc[nH]1 ZINC000491953429 385121661 /nfs/dbraw/zinc/12/16/61/385121661.db2.gz KNPOYZPIQHPLPP-DOGVGXBMSA-N 1 2 244.298 1.429 20 0 BDADLO COCC[S@@](=O)Cc1cn2ccccc2[nH+]1 ZINC000176641925 385123738 /nfs/dbraw/zinc/12/37/38/385123738.db2.gz WACQXRLXTLFJFS-MRXNPFEDSA-N 1 2 238.312 1.229 20 0 BDADLO CO[C@@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000189118252 385127181 /nfs/dbraw/zinc/12/71/81/385127181.db2.gz WWJKZMHKLSSHDV-VIFPVBQESA-N 1 2 233.271 1.099 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccccc1F ZINC000061679319 385129423 /nfs/dbraw/zinc/12/94/23/385129423.db2.gz YYUZIDIMEATXRV-NSHDSACASA-N 1 2 224.279 1.521 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1ccccc1F ZINC000061679319 385129427 /nfs/dbraw/zinc/12/94/27/385129427.db2.gz YYUZIDIMEATXRV-NSHDSACASA-N 1 2 224.279 1.521 20 0 BDADLO Cc1ccc([S@@](=O)Cc2[nH+]ccn2C)nc1 ZINC000129288666 385133839 /nfs/dbraw/zinc/13/38/39/385133839.db2.gz PJNRXZMTGYARPI-MRXNPFEDSA-N 1 2 235.312 1.431 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@H](CC)CO)no1 ZINC000345838105 385135712 /nfs/dbraw/zinc/13/57/12/385135712.db2.gz PHJDVDCYGMYTGX-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@H](CC)CO)no1 ZINC000345838105 385135719 /nfs/dbraw/zinc/13/57/19/385135719.db2.gz PHJDVDCYGMYTGX-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCc1noc(C[N@H+](C)C(C)(C)COC)n1 ZINC000644782701 385138335 /nfs/dbraw/zinc/13/83/35/385138335.db2.gz IFHGSDNZFBBVPB-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1noc(C[N@@H+](C)C(C)(C)COC)n1 ZINC000644782701 385138343 /nfs/dbraw/zinc/13/83/43/385138343.db2.gz IFHGSDNZFBBVPB-UHFFFAOYSA-N 1 2 227.308 1.489 20 0 BDADLO Cc1ccc(NC(=O)NCC[C@@H](C)O)c(C)[nH+]1 ZINC000176751791 385140421 /nfs/dbraw/zinc/14/04/21/385140421.db2.gz YDEPMKLROORMJE-SECBINFHSA-N 1 2 237.303 1.591 20 0 BDADLO Cc1ccnc(NCCCn2cc[nH+]c2)n1 ZINC000061858922 385140685 /nfs/dbraw/zinc/14/06/85/385140685.db2.gz WOOQJDDVUVIQBQ-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)ncn1 ZINC000644682196 385096884 /nfs/dbraw/zinc/09/68/84/385096884.db2.gz ODNWVUKVWYOXOZ-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)ncn1 ZINC000644682196 385096890 /nfs/dbraw/zinc/09/68/90/385096890.db2.gz ODNWVUKVWYOXOZ-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO CC[C@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@H]1O ZINC000341014056 385101985 /nfs/dbraw/zinc/10/19/85/385101985.db2.gz QQQRITLYPJFGAY-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@H]1O ZINC000341014056 385101992 /nfs/dbraw/zinc/10/19/92/385101992.db2.gz QQQRITLYPJFGAY-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000246075396 385103661 /nfs/dbraw/zinc/10/36/61/385103661.db2.gz FXSNXMUOQBFZDQ-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)no1 ZINC000246075396 385103665 /nfs/dbraw/zinc/10/36/65/385103665.db2.gz FXSNXMUOQBFZDQ-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ncnn1C ZINC000177149298 385188217 /nfs/dbraw/zinc/18/82/17/385188217.db2.gz BNNGDUHCZPCVGW-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ncnn1C ZINC000177149298 385188222 /nfs/dbraw/zinc/18/82/22/385188222.db2.gz BNNGDUHCZPCVGW-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO Cc1ccc([C@H](O)C[N@@H+](C)Cc2nnc[nH]2)cc1 ZINC000177148587 385188867 /nfs/dbraw/zinc/18/88/67/385188867.db2.gz FMJXZAZODYKQRB-GFCCVEGCSA-N 1 2 246.314 1.279 20 0 BDADLO Cc1ccc([C@H](O)C[N@H+](C)Cc2nnc[nH]2)cc1 ZINC000177148587 385188871 /nfs/dbraw/zinc/18/88/71/385188871.db2.gz FMJXZAZODYKQRB-GFCCVEGCSA-N 1 2 246.314 1.279 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCCc2ccccc2C1 ZINC000177150698 385191169 /nfs/dbraw/zinc/19/11/69/385191169.db2.gz RDZYVLRLCNVYBP-UHFFFAOYSA-N 1 2 242.326 1.764 20 0 BDADLO Cn1ncnc1C[N@H+]1CCCc2ccccc2C1 ZINC000177150698 385191175 /nfs/dbraw/zinc/19/11/75/385191175.db2.gz RDZYVLRLCNVYBP-UHFFFAOYSA-N 1 2 242.326 1.764 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189950982 385199808 /nfs/dbraw/zinc/19/98/08/385199808.db2.gz NODMHXMUZNXVQB-UHFFFAOYSA-N 1 2 248.334 1.354 20 0 BDADLO O=C1CCCN1CC[N@@H+]1Cc2cccnc2C1 ZINC000559761167 385157164 /nfs/dbraw/zinc/15/71/64/385157164.db2.gz WSEKNORHTCAKNJ-UHFFFAOYSA-N 1 2 231.299 1.020 20 0 BDADLO O=C1CCCN1CC[N@H+]1Cc2cccnc2C1 ZINC000559761167 385157171 /nfs/dbraw/zinc/15/71/71/385157171.db2.gz WSEKNORHTCAKNJ-UHFFFAOYSA-N 1 2 231.299 1.020 20 0 BDADLO Cc1[nH]ccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176896059 385158862 /nfs/dbraw/zinc/15/88/62/385158862.db2.gz YBTWGZZBFFSONC-JTQLQIEISA-N 1 2 246.314 1.586 20 0 BDADLO Cc1ccc(NC(=O)N2CCC[C@H](O)C2)c(C)[nH+]1 ZINC000152237773 385166723 /nfs/dbraw/zinc/16/67/23/385166723.db2.gz IIFJRLOQUKEZHB-NSHDSACASA-N 1 2 249.314 1.687 20 0 BDADLO CCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000308802034 385175050 /nfs/dbraw/zinc/17/50/50/385175050.db2.gz LDLCDZWEUVKANU-UHFFFAOYSA-N 1 2 207.277 1.558 20 0 BDADLO Cc1cc[nH+]c(N[C@@H](C)CO)c1Br ZINC000235137767 385217297 /nfs/dbraw/zinc/21/72/97/385217297.db2.gz ADBLVRSZEUCOHQ-ZETCQYMHSA-N 1 2 245.120 1.945 20 0 BDADLO CS(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000130105519 385219215 /nfs/dbraw/zinc/21/92/15/385219215.db2.gz IUGNPGZLBFNNLZ-UHFFFAOYSA-N 1 2 237.284 1.448 20 0 BDADLO CCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152856792 385220003 /nfs/dbraw/zinc/22/00/03/385220003.db2.gz BTIBMQBHKORKPM-NSHDSACASA-N 1 2 233.315 1.577 20 0 BDADLO Cc1nc(N2CCC[C@H](O)CC2)cc[nH+]1 ZINC000294153619 385222481 /nfs/dbraw/zinc/22/24/81/385222481.db2.gz REGMWFBDVVFOPI-JTQLQIEISA-N 1 2 207.277 1.136 20 0 BDADLO OCC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000647249546 385232494 /nfs/dbraw/zinc/23/24/94/385232494.db2.gz BUZMGAOXUJJZEH-GFCCVEGCSA-N 1 2 249.289 1.762 20 0 BDADLO OCC[C@@H](NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000647249546 385232502 /nfs/dbraw/zinc/23/25/02/385232502.db2.gz BUZMGAOXUJJZEH-GFCCVEGCSA-N 1 2 249.289 1.762 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccnn2C)[C@H]1C ZINC000130294487 385239319 /nfs/dbraw/zinc/23/93/19/385239319.db2.gz NXHFKSNNLHNRSC-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccnn2C)[C@H]1C ZINC000130294487 385239324 /nfs/dbraw/zinc/23/93/24/385239324.db2.gz NXHFKSNNLHNRSC-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)[C@]1(C)CCCO1 ZINC000336751553 385241344 /nfs/dbraw/zinc/24/13/44/385241344.db2.gz GMIIHNPLGBMANH-BDAKNGLRSA-N 1 2 223.263 1.161 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccncc1 ZINC000130432110 385248319 /nfs/dbraw/zinc/24/83/19/385248319.db2.gz ZVYZJONWJDQHNG-LBPRGKRZSA-N 1 2 233.315 1.038 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccncc1 ZINC000130432110 385248328 /nfs/dbraw/zinc/24/83/28/385248328.db2.gz ZVYZJONWJDQHNG-LBPRGKRZSA-N 1 2 233.315 1.038 20 0 BDADLO CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)C(=O)OC ZINC000308938938 385305320 /nfs/dbraw/zinc/30/53/20/385305320.db2.gz LQLVTGASQUUUFQ-BQBZGAKWSA-N 1 2 227.226 1.726 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CC[C@H]1c1ccccc1F ZINC000363511468 385305746 /nfs/dbraw/zinc/30/57/46/385305746.db2.gz MFUDQRRUWAUJIO-NWDGAFQWSA-N 1 2 234.274 1.461 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CC[C@H]1c1ccccc1F ZINC000363511468 385305749 /nfs/dbraw/zinc/30/57/49/385305749.db2.gz MFUDQRRUWAUJIO-NWDGAFQWSA-N 1 2 234.274 1.461 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000424964828 385258565 /nfs/dbraw/zinc/25/85/65/385258565.db2.gz GFIRVPOWKYHKNP-NXEZZACHSA-N 1 2 231.299 1.114 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000130593289 385264151 /nfs/dbraw/zinc/26/41/51/385264151.db2.gz FFAJMQVUZUNTRC-SNVBAGLBSA-N 1 2 237.303 1.336 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000130593289 385264156 /nfs/dbraw/zinc/26/41/56/385264156.db2.gz FFAJMQVUZUNTRC-SNVBAGLBSA-N 1 2 237.303 1.336 20 0 BDADLO O=C([C@H]1CCCS1)N1CCn2c[nH+]cc2C1 ZINC000291000400 385266712 /nfs/dbraw/zinc/26/67/12/385266712.db2.gz YNCOKFPEYBVLOO-SNVBAGLBSA-N 1 2 237.328 1.121 20 0 BDADLO Cc1nc(N(C)[C@H]2CCSC2)cc[nH+]1 ZINC000153783285 385283161 /nfs/dbraw/zinc/28/31/61/385283161.db2.gz PKRBRKCSJOINBN-VIFPVBQESA-N 1 2 209.318 1.727 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)c1cccnc1 ZINC000308910476 385284489 /nfs/dbraw/zinc/28/44/89/385284489.db2.gz DOTUVNMSBGIOAD-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO Cc1nc(N(C)C[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000166885034 385288439 /nfs/dbraw/zinc/28/84/39/385288439.db2.gz XCWKHIDDWJKMDP-MNOVXSKESA-N 1 2 221.304 1.382 20 0 BDADLO COCc1ccc([C@H]2CCC[N@@H+]2CC(N)=O)o1 ZINC000130930863 385295185 /nfs/dbraw/zinc/29/51/85/385295185.db2.gz CIYLIQKNGIUOEH-SNVBAGLBSA-N 1 2 238.287 1.048 20 0 BDADLO COCc1ccc([C@H]2CCC[N@H+]2CC(N)=O)o1 ZINC000130930863 385295190 /nfs/dbraw/zinc/29/51/90/385295190.db2.gz CIYLIQKNGIUOEH-SNVBAGLBSA-N 1 2 238.287 1.048 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000294950103 385329312 /nfs/dbraw/zinc/32/93/12/385329312.db2.gz HMZLFJVQUIJSNT-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ncc(Cl)n1C ZINC000294950103 385329316 /nfs/dbraw/zinc/32/93/16/385329316.db2.gz HMZLFJVQUIJSNT-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO CS(=O)(=O)C1(CNc2cccc[nH+]2)CC1 ZINC000280535013 385330741 /nfs/dbraw/zinc/33/07/41/385330741.db2.gz RWPUTOLLLLTTOR-UHFFFAOYSA-N 1 2 226.301 1.071 20 0 BDADLO CC(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000154707977 385347843 /nfs/dbraw/zinc/34/78/43/385347843.db2.gz NPOCDSVWTFRBRR-UHFFFAOYSA-N 1 2 229.711 1.484 20 0 BDADLO CC(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000154707977 385347846 /nfs/dbraw/zinc/34/78/46/385347846.db2.gz NPOCDSVWTFRBRR-UHFFFAOYSA-N 1 2 229.711 1.484 20 0 BDADLO C[N@H+](Cc1ccccc1F)[C@@H]1CCNC1=O ZINC000178282666 385349863 /nfs/dbraw/zinc/34/98/63/385349863.db2.gz VWEGYYLJHPHWPB-LLVKDONJSA-N 1 2 222.263 1.146 20 0 BDADLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCNC1=O ZINC000178282666 385349867 /nfs/dbraw/zinc/34/98/67/385349867.db2.gz VWEGYYLJHPHWPB-LLVKDONJSA-N 1 2 222.263 1.146 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000168331974 385355800 /nfs/dbraw/zinc/35/58/00/385355800.db2.gz YSHSSTXMGWJQNX-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO CCOCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154808028 385357830 /nfs/dbraw/zinc/35/78/30/385357830.db2.gz OUOCKMZFJSFGGG-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO C[C@@H](O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000120504485 385360343 /nfs/dbraw/zinc/36/03/43/385360343.db2.gz GYMSDXSSPOCRFE-MRVPVSSYSA-N 1 2 209.293 1.567 20 0 BDADLO CC[N@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000179563661 385377264 /nfs/dbraw/zinc/37/72/64/385377264.db2.gz WZZNFXZQQRNCCO-UHFFFAOYSA-N 1 2 210.281 1.120 20 0 BDADLO CC[N@@H+](Cc1nc(N(C)C)no1)C1CC1 ZINC000179563661 385377268 /nfs/dbraw/zinc/37/72/68/385377268.db2.gz WZZNFXZQQRNCCO-UHFFFAOYSA-N 1 2 210.281 1.120 20 0 BDADLO Cn1cc[nH+]c1CSC[C@@H]1CCCO1 ZINC000191757780 385324857 /nfs/dbraw/zinc/32/48/57/385324857.db2.gz LAAVMMHRFQKJIS-VIFPVBQESA-N 1 2 212.318 1.832 20 0 BDADLO COc1cc(C)[nH+]c(CN2CCC[C@H](O)C2)c1 ZINC000168884538 385391674 /nfs/dbraw/zinc/39/16/74/385391674.db2.gz KNFRRXQMIVXTLD-LBPRGKRZSA-N 1 2 236.315 1.355 20 0 BDADLO Cn1nnc(C[N@@H+]2CCCC(C)(C)CC2)n1 ZINC000193381307 385395150 /nfs/dbraw/zinc/39/51/50/385395150.db2.gz QONJYDGEYCZAGZ-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO Cn1nnc(C[N@H+]2CCCC(C)(C)CC2)n1 ZINC000193381307 385395155 /nfs/dbraw/zinc/39/51/55/385395155.db2.gz QONJYDGEYCZAGZ-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO CC(C)C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC000193480889 385399331 /nfs/dbraw/zinc/39/93/31/385399331.db2.gz UKFWZEUTKPQKSF-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO COC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181503835 385406184 /nfs/dbraw/zinc/40/61/84/385406184.db2.gz XZPCGVCXUJBYSJ-NSHDSACASA-N 1 2 229.320 1.080 20 0 BDADLO c1nc(NC2CC2)cc(NCC2CC2)[nH+]1 ZINC000309085452 385410886 /nfs/dbraw/zinc/41/08/86/385410886.db2.gz WWHNSNVQZIETKK-UHFFFAOYSA-N 1 2 204.277 1.873 20 0 BDADLO c1nc(NCC2CC2)cc(NC2CC2)[nH+]1 ZINC000309085452 385410887 /nfs/dbraw/zinc/41/08/87/385410887.db2.gz WWHNSNVQZIETKK-UHFFFAOYSA-N 1 2 204.277 1.873 20 0 BDADLO COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)ccc1C ZINC000193821173 385412991 /nfs/dbraw/zinc/41/29/91/385412991.db2.gz NDUZEYZZDWDUPI-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)ccc1C ZINC000193821173 385412994 /nfs/dbraw/zinc/41/29/94/385412994.db2.gz NDUZEYZZDWDUPI-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO CC(C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000110523216 385423429 /nfs/dbraw/zinc/42/34/29/385423429.db2.gz CRFWLZUKSAFFRN-UHFFFAOYSA-N 1 2 207.277 1.537 20 0 BDADLO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)C(=O)OC ZINC000182344465 385440289 /nfs/dbraw/zinc/44/02/89/385440289.db2.gz HYUOTXGPCJFWOS-DCAQKATOSA-N 1 2 229.320 1.485 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182364957 385441147 /nfs/dbraw/zinc/44/11/47/385441147.db2.gz DGPSHUNXJMYYGC-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000170860630 385452034 /nfs/dbraw/zinc/45/20/34/385452034.db2.gz FSQLDKIGAZABSF-VIFPVBQESA-N 1 2 229.283 1.863 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000194952965 385452645 /nfs/dbraw/zinc/45/26/45/385452645.db2.gz OXQCVFGAGDRSCE-GWCFXTLKSA-N 1 2 237.299 1.146 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000194952965 385452648 /nfs/dbraw/zinc/45/26/48/385452648.db2.gz OXQCVFGAGDRSCE-GWCFXTLKSA-N 1 2 237.299 1.146 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H](C)OC)C1CC1 ZINC000182116384 385431609 /nfs/dbraw/zinc/43/16/09/385431609.db2.gz FBDFLCRNGHOQLW-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H](C)OC)C1CC1 ZINC000182116384 385431612 /nfs/dbraw/zinc/43/16/12/385431612.db2.gz FBDFLCRNGHOQLW-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H](C)OC)C(=O)OC ZINC000182179362 385433354 /nfs/dbraw/zinc/43/33/54/385433354.db2.gz OBTIKKBKMSKZGE-ONGXEEELSA-N 1 2 217.309 1.343 20 0 BDADLO c1ccc(N2CCN(c3cccnn3)CC2)[nH+]c1 ZINC000170641102 385437796 /nfs/dbraw/zinc/43/77/96/385437796.db2.gz AXZYEDHAQCXNCQ-UHFFFAOYSA-N 1 2 241.298 1.198 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000179397092 385464783 /nfs/dbraw/zinc/46/47/83/385464783.db2.gz AEIDIUGQRCPLPH-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000179397092 385464787 /nfs/dbraw/zinc/46/47/87/385464787.db2.gz AEIDIUGQRCPLPH-UHFFFAOYSA-N 1 2 225.263 1.739 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000171054299 385466313 /nfs/dbraw/zinc/46/63/13/385466313.db2.gz ONOYYJINKPJIER-MWLCHTKSSA-N 1 2 242.282 1.406 20 0 BDADLO CCC[C@H]([NH2+]CC1(OC)CCC1)C(=O)OCC ZINC000182660578 385467375 /nfs/dbraw/zinc/46/73/75/385467375.db2.gz PZAMZGUWAXUNMT-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO O=C1C[N@@H+](C/C=C/Cl)[C@@H]2CCCC[C@@H]2N1 ZINC000156865573 385470668 /nfs/dbraw/zinc/47/06/68/385470668.db2.gz NRXPVUXXGHWHPP-FAELLTOESA-N 1 2 228.723 1.482 20 0 BDADLO O=C1C[N@H+](C/C=C/Cl)[C@@H]2CCCC[C@@H]2N1 ZINC000156865573 385470673 /nfs/dbraw/zinc/47/06/73/385470673.db2.gz NRXPVUXXGHWHPP-FAELLTOESA-N 1 2 228.723 1.482 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000179644531 385479311 /nfs/dbraw/zinc/47/93/11/385479311.db2.gz SNWUGZKMBZFZHE-NEPJUHHUSA-N 1 2 249.358 1.989 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000179644531 385479315 /nfs/dbraw/zinc/47/93/15/385479315.db2.gz SNWUGZKMBZFZHE-NEPJUHHUSA-N 1 2 249.358 1.989 20 0 BDADLO CCCn1c(C)nnc1Cn1cc[nH+]c1 ZINC000179375652 385463728 /nfs/dbraw/zinc/46/37/28/385463728.db2.gz QPBRJMQSWNBLEU-UHFFFAOYSA-N 1 2 205.265 1.241 20 0 BDADLO c1cnn([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000111215749 385496485 /nfs/dbraw/zinc/49/64/85/385496485.db2.gz IMBPMKUGICYFAK-LLVKDONJSA-N 1 2 231.303 1.443 20 0 BDADLO c1cnn([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000111215749 385496489 /nfs/dbraw/zinc/49/64/89/385496489.db2.gz IMBPMKUGICYFAK-LLVKDONJSA-N 1 2 231.303 1.443 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccc(=O)[nH]c1 ZINC000111043894 385500715 /nfs/dbraw/zinc/50/07/15/385500715.db2.gz BCAVOERGBYUAAK-UHFFFAOYSA-N 1 2 229.239 1.331 20 0 BDADLO CC(C)c1nc(N2CCC[C@H](CO)C2)cc[nH+]1 ZINC000106462077 385509980 /nfs/dbraw/zinc/50/99/80/385509980.db2.gz RGUCNNIUNLVGCA-NSHDSACASA-N 1 2 235.331 1.809 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644134848 385514902 /nfs/dbraw/zinc/51/49/02/385514902.db2.gz MHQZEJYPXMHIGM-URLYPYJESA-N 1 2 243.310 1.248 20 0 BDADLO CCc1ccc(C[NH+]2CCN(C(C)=O)CC2)o1 ZINC000157847887 385528904 /nfs/dbraw/zinc/52/89/04/385528904.db2.gz CCCRRCLQHNWFCT-UHFFFAOYSA-N 1 2 236.315 1.506 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCC[C@@H]2C(N)=O)s1 ZINC000180424597 385523155 /nfs/dbraw/zinc/52/31/55/385523155.db2.gz RCDOBABSTGPYTG-SECBINFHSA-N 1 2 239.344 1.291 20 0 BDADLO Cc1cnc(C[N@H+]2CCCC[C@@H]2C(N)=O)s1 ZINC000180424597 385523156 /nfs/dbraw/zinc/52/31/56/385523156.db2.gz RCDOBABSTGPYTG-SECBINFHSA-N 1 2 239.344 1.291 20 0 BDADLO CCCCCN(Cc1noc(C[NH3+])n1)C(C)C ZINC000302423354 385524595 /nfs/dbraw/zinc/52/45/95/385524595.db2.gz TUSHFSSJVVJPLP-UHFFFAOYSA-N 1 2 240.351 1.929 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1ccc[nH]1 ZINC000107294376 385561786 /nfs/dbraw/zinc/56/17/86/385561786.db2.gz UZGKHSVOBCEIAA-UHFFFAOYSA-N 1 2 201.229 1.970 20 0 BDADLO COC[C@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000181696604 385594927 /nfs/dbraw/zinc/59/49/27/385594927.db2.gz ARWBNXWSMHNCQH-LBPRGKRZSA-N 1 2 246.314 1.292 20 0 BDADLO c1ncn2c1C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000647939351 385601744 /nfs/dbraw/zinc/60/17/44/385601744.db2.gz LAKWVIRICUZLMM-LBPRGKRZSA-N 1 2 221.304 1.268 20 0 BDADLO c1ncn2c1C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC000647939351 385601751 /nfs/dbraw/zinc/60/17/51/385601751.db2.gz LAKWVIRICUZLMM-LBPRGKRZSA-N 1 2 221.304 1.268 20 0 BDADLO c1[nH+]cn2c1CN(C[C@@H]1CCCCO1)CC2 ZINC000647939351 385601756 /nfs/dbraw/zinc/60/17/56/385601756.db2.gz LAKWVIRICUZLMM-LBPRGKRZSA-N 1 2 221.304 1.268 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cncc(C)c1 ZINC000280788994 385604816 /nfs/dbraw/zinc/60/48/16/385604816.db2.gz QVSNVVSOTFQJLR-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cncc(C)c1 ZINC000280788994 385604821 /nfs/dbraw/zinc/60/48/21/385604821.db2.gz QVSNVVSOTFQJLR-SNVBAGLBSA-N 1 2 222.288 1.383 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@H](F)C2)c(C(F)F)n1 ZINC000335405529 385590991 /nfs/dbraw/zinc/59/09/91/385590991.db2.gz CFIXOTJGMDNVPM-QMMMGPOBSA-N 1 2 233.237 1.902 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@H](F)C2)c(C(F)F)n1 ZINC000335405529 385590994 /nfs/dbraw/zinc/59/09/94/385590994.db2.gz CFIXOTJGMDNVPM-QMMMGPOBSA-N 1 2 233.237 1.902 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCOC2(CCC2)C1 ZINC000280921802 385617985 /nfs/dbraw/zinc/61/79/85/385617985.db2.gz GHXZIZWJQOAUTN-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000309489682 385618028 /nfs/dbraw/zinc/61/80/28/385618028.db2.gz WQZLKJKTASOEDI-ZJUUUORDSA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000280972232 385622381 /nfs/dbraw/zinc/62/23/81/385622381.db2.gz KRSQJRSCRKLRMZ-JTQLQIEISA-N 1 2 221.304 1.601 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1(C2CC2)CC1 ZINC000269811079 385637804 /nfs/dbraw/zinc/63/78/04/385637804.db2.gz OWQUQRINPFBABL-UHFFFAOYSA-N 1 2 248.330 1.410 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000269852676 385639356 /nfs/dbraw/zinc/63/93/56/385639356.db2.gz YDPSOVHSDLTNAS-NSHDSACASA-N 1 2 243.310 1.997 20 0 BDADLO CC[C@@H](CO)N(C)c1[nH+]c2ccccc2n1C ZINC000293584301 385665022 /nfs/dbraw/zinc/66/50/22/385665022.db2.gz AVMZPBDGXRGOHF-JTQLQIEISA-N 1 2 233.315 1.780 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)o1 ZINC000305760823 385642349 /nfs/dbraw/zinc/64/23/49/385642349.db2.gz KMYLFFZOYCKDIK-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](C)[C@H](O)C2)o1 ZINC000305760823 385642356 /nfs/dbraw/zinc/64/23/56/385642356.db2.gz KMYLFFZOYCKDIK-VHSXEESVSA-N 1 2 239.319 1.396 20 0 BDADLO OCc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000309523560 385656546 /nfs/dbraw/zinc/65/65/46/385656546.db2.gz BXFZPNTYXQXXQA-UHFFFAOYSA-N 1 2 217.272 1.192 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000182340613 385658828 /nfs/dbraw/zinc/65/88/28/385658828.db2.gz AKYRWHIFFFQASC-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000182340613 385658834 /nfs/dbraw/zinc/65/88/34/385658834.db2.gz AKYRWHIFFFQASC-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CC[C@@H](C)OCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000337437817 385661584 /nfs/dbraw/zinc/66/15/84/385661584.db2.gz DRQKNSJJSHKXDA-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)COCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000337444003 385663251 /nfs/dbraw/zinc/66/32/51/385663251.db2.gz BHJOAFZBPPSNCY-VXGBXAGGSA-N 1 2 247.404 1.500 20 0 BDADLO O=C1NCC[C@H]1[N@@H+]1CCc2c(F)cccc2C1 ZINC000270139319 385675699 /nfs/dbraw/zinc/67/56/99/385675699.db2.gz CYGNXICPEZQVGO-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO O=C1NCC[C@H]1[N@H+]1CCc2c(F)cccc2C1 ZINC000270139319 385675704 /nfs/dbraw/zinc/67/57/04/385675704.db2.gz CYGNXICPEZQVGO-GFCCVEGCSA-N 1 2 234.274 1.072 20 0 BDADLO Cc1ccoc1C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000270155062 385678401 /nfs/dbraw/zinc/67/84/01/385678401.db2.gz DOWAKNSZVQBVPD-LLVKDONJSA-N 1 2 235.287 1.145 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000182532565 385679629 /nfs/dbraw/zinc/67/96/29/385679629.db2.gz RYMGQDDWJKAUSW-MNOVXSKESA-N 1 2 223.320 1.682 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000270377121 385703749 /nfs/dbraw/zinc/70/37/49/385703749.db2.gz OKBHJUVAURBCNA-UHFFFAOYSA-N 1 2 233.311 1.953 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000270377121 385703751 /nfs/dbraw/zinc/70/37/51/385703751.db2.gz OKBHJUVAURBCNA-UHFFFAOYSA-N 1 2 233.311 1.953 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](F)C1 ZINC000451203516 385710271 /nfs/dbraw/zinc/71/02/71/385710271.db2.gz ZIQPFBXOMDMADR-ZJUUUORDSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](F)C1 ZINC000451203516 385710275 /nfs/dbraw/zinc/71/02/75/385710275.db2.gz ZIQPFBXOMDMADR-ZJUUUORDSA-N 1 2 217.284 1.618 20 0 BDADLO CCCc1noc(CN(C)Cc2[nH+]ccn2C)n1 ZINC000270535833 385715746 /nfs/dbraw/zinc/71/57/46/385715746.db2.gz HROLPKURSPNCPA-UHFFFAOYSA-N 1 2 249.318 1.388 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)nc1)CC1OCCO1 ZINC000182403552 385667745 /nfs/dbraw/zinc/66/77/45/385667745.db2.gz WRKJUGLGRDQMPK-UHFFFAOYSA-N 1 2 242.706 1.540 20 0 BDADLO C[N@H+](Cc1ccc(Cl)nc1)CC1OCCO1 ZINC000182403552 385667749 /nfs/dbraw/zinc/66/77/49/385667749.db2.gz WRKJUGLGRDQMPK-UHFFFAOYSA-N 1 2 242.706 1.540 20 0 BDADLO c1[nH+]cn2c1CN(Cc1nc(C3CC3)no1)CC2 ZINC000647939609 385670847 /nfs/dbraw/zinc/67/08/47/385670847.db2.gz UMAZFRFIABSCML-UHFFFAOYSA-N 1 2 245.286 1.159 20 0 BDADLO CCCCC[N@H+](C/C=C/Cl)CC(N)=O ZINC000183026133 385729941 /nfs/dbraw/zinc/72/99/41/385729941.db2.gz QPKQSMQBHHETBH-AATRIKPKSA-N 1 2 218.728 1.716 20 0 BDADLO CCCCC[N@@H+](C/C=C/Cl)CC(N)=O ZINC000183026133 385729946 /nfs/dbraw/zinc/72/99/46/385729946.db2.gz QPKQSMQBHHETBH-AATRIKPKSA-N 1 2 218.728 1.716 20 0 BDADLO CC[NH+](CC)Cc1nc(C(C)(C)OC)no1 ZINC000337650410 385734999 /nfs/dbraw/zinc/73/49/99/385734999.db2.gz AOXPDKOTOUCLTE-UHFFFAOYSA-N 1 2 227.308 1.793 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)NCc1[nH+]ccn1C ZINC000353398638 385737564 /nfs/dbraw/zinc/73/75/64/385737564.db2.gz ZXXPPMZAAUQEMM-VIFPVBQESA-N 1 2 236.319 1.408 20 0 BDADLO CC[N@H+](CCCNC(=O)CO)c1ccccc1 ZINC000270777747 385741828 /nfs/dbraw/zinc/74/18/28/385741828.db2.gz SCJHIWZAHVHAOY-UHFFFAOYSA-N 1 2 236.315 1.012 20 0 BDADLO CC[N@@H+](CCCNC(=O)CO)c1ccccc1 ZINC000270777747 385741832 /nfs/dbraw/zinc/74/18/32/385741832.db2.gz SCJHIWZAHVHAOY-UHFFFAOYSA-N 1 2 236.315 1.012 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000408375436 385742885 /nfs/dbraw/zinc/74/28/85/385742885.db2.gz OQWJSRSLCOGSRB-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000408375436 385742887 /nfs/dbraw/zinc/74/28/87/385742887.db2.gz OQWJSRSLCOGSRB-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO COc1ccc(OC)c(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398300705 385748476 /nfs/dbraw/zinc/74/84/76/385748476.db2.gz MIVMCNOUEJXBRV-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@H]2CCCO2)n1 ZINC000270826138 385749196 /nfs/dbraw/zinc/74/91/96/385749196.db2.gz SEUSNILTXNSVBN-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@H]2CCCO2)n1 ZINC000270826138 385749200 /nfs/dbraw/zinc/74/92/00/385749200.db2.gz SEUSNILTXNSVBN-LLVKDONJSA-N 1 2 209.293 1.031 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)o1 ZINC000282414743 385758915 /nfs/dbraw/zinc/75/89/15/385758915.db2.gz DIGHUBWTGRFZIL-JTQLQIEISA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)o1 ZINC000282414743 385758921 /nfs/dbraw/zinc/75/89/21/385758921.db2.gz DIGHUBWTGRFZIL-JTQLQIEISA-N 1 2 236.315 1.505 20 0 BDADLO CC(C)c1nc(N(C)C)nc(NCC2CC2)[nH+]1 ZINC000270893145 385759034 /nfs/dbraw/zinc/75/90/34/385759034.db2.gz CWYYADIWDVSEAH-UHFFFAOYSA-N 1 2 235.335 1.883 20 0 BDADLO CC(C)c1nc(NCC2CC2)nc(N(C)C)[nH+]1 ZINC000270893145 385759038 /nfs/dbraw/zinc/75/90/38/385759038.db2.gz CWYYADIWDVSEAH-UHFFFAOYSA-N 1 2 235.335 1.883 20 0 BDADLO CON(CCn1cc[nH+]c1)CC1CCOCC1 ZINC000282454850 385764256 /nfs/dbraw/zinc/76/42/56/385764256.db2.gz JOSNNQKHQGIGGZ-UHFFFAOYSA-N 1 2 239.319 1.173 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC1CC1)[C@@H](C)O ZINC000309648585 385768498 /nfs/dbraw/zinc/76/84/98/385768498.db2.gz NFWFYUIMMIHZCL-FXPVBKGRSA-N 1 2 229.320 1.077 20 0 BDADLO CC[C@H]1CN(C(=O)Nc2cc[nH+]c(C)c2)C[C@@H]1O ZINC000271012410 385769819 /nfs/dbraw/zinc/76/98/19/385769819.db2.gz IENCYLBWPRWYLV-JQWIXIFHSA-N 1 2 249.314 1.625 20 0 BDADLO O=C1C[N@H+](Cc2ccc3ncccc3c2)CCN1 ZINC000271023995 385773305 /nfs/dbraw/zinc/77/33/05/385773305.db2.gz VQFCBMIMSLQDDI-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2ccc3ncccc3c2)CCN1 ZINC000271023995 385773308 /nfs/dbraw/zinc/77/33/08/385773308.db2.gz VQFCBMIMSLQDDI-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cccc2c1OC(C)(C)C2 ZINC000271035891 385773988 /nfs/dbraw/zinc/77/39/88/385773988.db2.gz GCZFEFZLMLYTIL-UHFFFAOYSA-N 1 2 248.326 1.317 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cccc2c1OC(C)(C)C2 ZINC000271035891 385773992 /nfs/dbraw/zinc/77/39/92/385773992.db2.gz GCZFEFZLMLYTIL-UHFFFAOYSA-N 1 2 248.326 1.317 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)OC[C@@H]1CCCO1 ZINC000497162147 385774068 /nfs/dbraw/zinc/77/40/68/385774068.db2.gz DLTWCUMNCJGUMW-JTQLQIEISA-N 1 2 239.275 1.157 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)OC[C@@H]1CCCO1 ZINC000497162147 385774076 /nfs/dbraw/zinc/77/40/76/385774076.db2.gz DLTWCUMNCJGUMW-JTQLQIEISA-N 1 2 239.275 1.157 20 0 BDADLO COCc1ccc(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000271045294 385776414 /nfs/dbraw/zinc/77/64/14/385776414.db2.gz QNVPLLHJPIXTLQ-UHFFFAOYSA-N 1 2 249.314 1.792 20 0 BDADLO COCc1ccc(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000271045294 385776419 /nfs/dbraw/zinc/77/64/19/385776419.db2.gz QNVPLLHJPIXTLQ-UHFFFAOYSA-N 1 2 249.314 1.792 20 0 BDADLO COC(=O)[C@]1([NH2+]CCCCCF)CCOC1 ZINC000309657296 385777264 /nfs/dbraw/zinc/77/72/64/385777264.db2.gz QHXCYPNXJZTGJM-NSHDSACASA-N 1 2 233.283 1.048 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282658067 385777848 /nfs/dbraw/zinc/77/78/48/385777848.db2.gz IKXIRNNHSCEGFF-NSHDSACASA-N 1 2 248.330 1.009 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)CCCC1CC1 ZINC000643225228 385778783 /nfs/dbraw/zinc/77/87/83/385778783.db2.gz YGWICPBAWNWOFR-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO C[C@H]1C[C@H]1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000488432111 385781031 /nfs/dbraw/zinc/78/10/31/385781031.db2.gz GPRLOIKDQZEUBQ-RYUDHWBXSA-N 1 2 247.342 1.408 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282718630 385781151 /nfs/dbraw/zinc/78/11/51/385781151.db2.gz LIHBXHNUEMWUCB-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282718630 385781159 /nfs/dbraw/zinc/78/11/59/385781159.db2.gz LIHBXHNUEMWUCB-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO COC(=O)C[N@H+](C)CCc1ccccc1C ZINC000258975983 385781602 /nfs/dbraw/zinc/78/16/02/385781602.db2.gz VSOYFKQZAGAKDB-UHFFFAOYSA-N 1 2 221.300 1.642 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1ccccc1C ZINC000258975983 385781604 /nfs/dbraw/zinc/78/16/04/385781604.db2.gz VSOYFKQZAGAKDB-UHFFFAOYSA-N 1 2 221.300 1.642 20 0 BDADLO CC(=O)CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000282763302 385784939 /nfs/dbraw/zinc/78/49/39/385784939.db2.gz OJIJASMRQVDRHT-SNVBAGLBSA-N 1 2 237.303 1.005 20 0 BDADLO CC(=O)CCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000282008052 385724495 /nfs/dbraw/zinc/72/44/95/385724495.db2.gz DJMIGQGPYUMJDM-UHFFFAOYSA-N 1 2 245.282 1.950 20 0 BDADLO CCc1cc(N)nc(SCc2cn[nH]c2)[nH+]1 ZINC000336691468 385726228 /nfs/dbraw/zinc/72/62/28/385726228.db2.gz WVJKMUHPDMLBEW-UHFFFAOYSA-N 1 2 235.316 1.467 20 0 BDADLO Cn1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000271173967 385798136 /nfs/dbraw/zinc/79/81/36/385798136.db2.gz FMPVKANUNPZRFX-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000271173967 385798140 /nfs/dbraw/zinc/79/81/40/385798140.db2.gz FMPVKANUNPZRFX-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO CCC1(O)CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000271195535 385803804 /nfs/dbraw/zinc/80/38/04/385803804.db2.gz NJRCQLNJHVYDMM-UHFFFAOYSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000271219501 385806515 /nfs/dbraw/zinc/80/65/15/385806515.db2.gz YHSXXBSITKNKCK-UVWXRNBGSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000271219501 385806516 /nfs/dbraw/zinc/80/65/16/385806516.db2.gz YHSXXBSITKNKCK-UVWXRNBGSA-N 1 2 241.356 1.929 20 0 BDADLO CC(C)(O)CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000283056809 385808401 /nfs/dbraw/zinc/80/84/01/385808401.db2.gz JUDBELHTHQJXOA-ZZXKWVIFSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@@H](O)[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283076240 385808611 /nfs/dbraw/zinc/80/86/11/385808611.db2.gz KTOOICLPCBQVKP-SXGMEYSMSA-N 1 2 249.314 1.185 20 0 BDADLO Cc1cc(C[N@@H+](C)CCNC(=O)C(C)C)on1 ZINC000271236817 385808976 /nfs/dbraw/zinc/80/89/76/385808976.db2.gz NKXNWQADIMYJDD-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cc1cc(C[N@H+](C)CCNC(=O)C(C)C)on1 ZINC000271236817 385808978 /nfs/dbraw/zinc/80/89/78/385808978.db2.gz NKXNWQADIMYJDD-UHFFFAOYSA-N 1 2 239.319 1.187 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCC1CCCCC1 ZINC000337862287 385809561 /nfs/dbraw/zinc/80/95/61/385809561.db2.gz YMHMVNIZCISVBI-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCC1CCCCC1 ZINC000337862287 385809568 /nfs/dbraw/zinc/80/95/68/385809568.db2.gz YMHMVNIZCISVBI-UHFFFAOYSA-N 1 2 237.351 1.612 20 0 BDADLO CC[C@]1(CO)CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283122696 385810078 /nfs/dbraw/zinc/81/00/78/385810078.db2.gz NAKQZKZQESSNNX-MUBLQREKSA-N 1 2 249.314 1.186 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnc(OC)n2)CCO1 ZINC000294493502 385856910 /nfs/dbraw/zinc/85/69/10/385856910.db2.gz AAVTVGMRYQXQQV-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnc(OC)n2)CCO1 ZINC000294493502 385856913 /nfs/dbraw/zinc/85/69/13/385856913.db2.gz AAVTVGMRYQXQQV-NSHDSACASA-N 1 2 237.303 1.096 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000337857418 385813402 /nfs/dbraw/zinc/81/34/02/385813402.db2.gz HQSVTCKZZFAOFD-TYRPZCRBSA-N 1 2 247.302 1.102 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1ncccc1O ZINC000336715985 385813926 /nfs/dbraw/zinc/81/39/26/385813926.db2.gz VUOAYHGBKMXZFI-UHFFFAOYSA-N 1 2 218.260 1.109 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ncccc1O ZINC000336715985 385813928 /nfs/dbraw/zinc/81/39/28/385813928.db2.gz VUOAYHGBKMXZFI-UHFFFAOYSA-N 1 2 218.260 1.109 20 0 BDADLO CCCCN(CCO)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283445101 385819096 /nfs/dbraw/zinc/81/90/96/385819096.db2.gz KIJRZJHSGLONCL-SNAWJCMRSA-N 1 2 237.303 1.044 20 0 BDADLO COc1c(C[N@@H+]2CCC[C@H]2CF)c(C)nn1C ZINC000294200595 385822667 /nfs/dbraw/zinc/82/26/67/385822667.db2.gz XUVATIDNBZUETJ-JTQLQIEISA-N 1 2 241.310 1.671 20 0 BDADLO COc1c(C[N@H+]2CCC[C@H]2CF)c(C)nn1C ZINC000294200595 385822670 /nfs/dbraw/zinc/82/26/70/385822670.db2.gz XUVATIDNBZUETJ-JTQLQIEISA-N 1 2 241.310 1.671 20 0 BDADLO CO[C@H]1CCCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283619925 385824523 /nfs/dbraw/zinc/82/45/23/385824523.db2.gz AQFRZKPTHYXICF-KZQRZKTQSA-N 1 2 249.314 1.497 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(C)n1 ZINC000187015963 385827509 /nfs/dbraw/zinc/82/75/09/385827509.db2.gz DEVULJVMKVKPGO-LBPRGKRZSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c(C)n1 ZINC000187015963 385827516 /nfs/dbraw/zinc/82/75/16/385827516.db2.gz DEVULJVMKVKPGO-LBPRGKRZSA-N 1 2 247.342 1.361 20 0 BDADLO COC[C@@](C)([NH2+]CC1CCCC1)C(=O)OC ZINC000121240837 385829114 /nfs/dbraw/zinc/82/91/14/385829114.db2.gz DLQNKNUIJJZDIJ-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO c1[nH]cc(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000365879761 385830578 /nfs/dbraw/zinc/83/05/78/385830578.db2.gz HWSSJBCSZVSPAH-UHFFFAOYSA-N 1 2 229.287 1.584 20 0 BDADLO c1[nH]c(C2CCN(c3ncccn3)CC2)c[nH+]1 ZINC000365879761 385830582 /nfs/dbraw/zinc/83/05/82/385830582.db2.gz HWSSJBCSZVSPAH-UHFFFAOYSA-N 1 2 229.287 1.584 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000271465749 385830965 /nfs/dbraw/zinc/83/09/65/385830965.db2.gz FSIAXAQRAQYWSN-NSHDSACASA-N 1 2 235.331 1.553 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000271465749 385830967 /nfs/dbraw/zinc/83/09/67/385830967.db2.gz FSIAXAQRAQYWSN-NSHDSACASA-N 1 2 235.331 1.553 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CSC(F)F ZINC000294272935 385831732 /nfs/dbraw/zinc/83/17/32/385831732.db2.gz ANIWVJHNALUEBJ-ZETCQYMHSA-N 1 2 249.286 1.344 20 0 BDADLO COC[C@H]1C[N@H+](CCc2cscn2)CCO1 ZINC000283912814 385839374 /nfs/dbraw/zinc/83/93/74/385839374.db2.gz JXHMOSYHZNVDLP-LLVKDONJSA-N 1 2 242.344 1.033 20 0 BDADLO COC[C@H]1C[N@@H+](CCc2cscn2)CCO1 ZINC000283912814 385839377 /nfs/dbraw/zinc/83/93/77/385839377.db2.gz JXHMOSYHZNVDLP-LLVKDONJSA-N 1 2 242.344 1.033 20 0 BDADLO CCN(C)C(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000271632731 385842037 /nfs/dbraw/zinc/84/20/37/385842037.db2.gz YZNFBXFLEZWALM-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO CCN(C)C(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000271632731 385842042 /nfs/dbraw/zinc/84/20/42/385842042.db2.gz YZNFBXFLEZWALM-UHFFFAOYSA-N 1 2 247.342 1.524 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000112686457 385842981 /nfs/dbraw/zinc/84/29/81/385842981.db2.gz VMETUQQHWNMZSN-LBPRGKRZSA-N 1 2 234.299 1.346 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000112686457 385842982 /nfs/dbraw/zinc/84/29/82/385842982.db2.gz VMETUQQHWNMZSN-LBPRGKRZSA-N 1 2 234.299 1.346 20 0 BDADLO CCC1(CC)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000294397869 385844255 /nfs/dbraw/zinc/84/42/55/385844255.db2.gz NBESREGTNRWDLH-UHFFFAOYSA-N 1 2 235.331 1.909 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271707363 385846593 /nfs/dbraw/zinc/84/65/93/385846593.db2.gz NRKOJAGVPJHLLN-ZJUUUORDSA-N 1 2 236.319 1.218 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)o1 ZINC000644838195 385851689 /nfs/dbraw/zinc/85/16/89/385851689.db2.gz QOBSWIUSNQYKFP-NWDGAFQWSA-N 1 2 207.273 1.815 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)o1 ZINC000644838195 385851694 /nfs/dbraw/zinc/85/16/94/385851694.db2.gz QOBSWIUSNQYKFP-NWDGAFQWSA-N 1 2 207.273 1.815 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2C=CCCC2)no1 ZINC000183730565 385793097 /nfs/dbraw/zinc/79/30/97/385793097.db2.gz NEEKOOGQCROPRB-SNVBAGLBSA-N 1 2 207.277 1.919 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2C=CCCC2)no1 ZINC000183730565 385793109 /nfs/dbraw/zinc/79/31/09/385793109.db2.gz NEEKOOGQCROPRB-SNVBAGLBSA-N 1 2 207.277 1.919 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncnn2CC(F)F)[C@H]1C ZINC000488450072 385797175 /nfs/dbraw/zinc/79/71/75/385797175.db2.gz QWFWQAIEOAZMCT-IUCAKERBSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncnn2CC(F)F)[C@H]1C ZINC000488450072 385797180 /nfs/dbraw/zinc/79/71/80/385797180.db2.gz QWFWQAIEOAZMCT-IUCAKERBSA-N 1 2 244.289 1.774 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)NC(C)C)s1 ZINC000273652793 385889402 /nfs/dbraw/zinc/88/94/02/385889402.db2.gz WRYQFGAEDOXHRV-SSDOTTSWSA-N 1 2 242.348 1.022 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)NCCn1cc[nH+]c1 ZINC000112739277 385891729 /nfs/dbraw/zinc/89/17/29/385891729.db2.gz PUBRFTNGGWIXJC-JTQLQIEISA-N 1 2 236.319 1.371 20 0 BDADLO Cc1noc2ncnc(N[C@H](C)c3[nH]cc[nH+]3)c12 ZINC000647843566 385894010 /nfs/dbraw/zinc/89/40/10/385894010.db2.gz XKRYKDHDPRGSBB-SSDOTTSWSA-N 1 2 244.258 1.822 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647845270 385897372 /nfs/dbraw/zinc/89/73/72/385897372.db2.gz ZHJNHCGDVPQVMG-NXEZZACHSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647845270 385897374 /nfs/dbraw/zinc/89/73/74/385897374.db2.gz ZHJNHCGDVPQVMG-NXEZZACHSA-N 1 2 248.330 1.763 20 0 BDADLO CC(=O)c1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000294871480 385907304 /nfs/dbraw/zinc/90/73/04/385907304.db2.gz DVLFUXJZKZWQMO-CQSZACIVSA-N 1 2 249.310 1.082 20 0 BDADLO CC(=O)c1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000294871480 385907308 /nfs/dbraw/zinc/90/73/08/385907308.db2.gz DVLFUXJZKZWQMO-CQSZACIVSA-N 1 2 249.310 1.082 20 0 BDADLO O[C@@H]1CCCC[C@@H]1Nc1cc[nH+]cc1F ZINC000308903337 385908040 /nfs/dbraw/zinc/90/80/40/385908040.db2.gz CRZFZLUOCALCHM-WDEREUQCSA-N 1 2 210.252 1.936 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC=C(F)C1 ZINC000272586283 385915915 /nfs/dbraw/zinc/91/59/15/385915915.db2.gz WVAPTDQZWXIPSV-JTQLQIEISA-N 1 2 228.311 1.801 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC=C(F)C1 ZINC000272586283 385915917 /nfs/dbraw/zinc/91/59/17/385915917.db2.gz WVAPTDQZWXIPSV-JTQLQIEISA-N 1 2 228.311 1.801 20 0 BDADLO CON(Cc1c[nH+]cn1C)Cc1ccccc1 ZINC000272649217 385919876 /nfs/dbraw/zinc/91/98/76/385919876.db2.gz YYHJZEIITRIYRK-UHFFFAOYSA-N 1 2 231.299 1.984 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@](C)(O)C2)no1 ZINC000123892430 385921747 /nfs/dbraw/zinc/92/17/47/385921747.db2.gz ILFFQLIURBLQEV-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@](C)(O)C2)no1 ZINC000123892430 385921753 /nfs/dbraw/zinc/92/17/53/385921753.db2.gz ILFFQLIURBLQEV-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO COC(=O)[C@@H](C)NCc1c[nH+]c2cccc(C)n12 ZINC000355125675 385922837 /nfs/dbraw/zinc/92/28/37/385922837.db2.gz DFBNXVUMDNANAO-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO Cn1cc(C[N@H+]2CC=C(C(C)(C)C)CC2)nn1 ZINC000335033910 385923752 /nfs/dbraw/zinc/92/37/52/385923752.db2.gz LUJQAWVRFOTZEE-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO Cn1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)nn1 ZINC000335033910 385923759 /nfs/dbraw/zinc/92/37/59/385923759.db2.gz LUJQAWVRFOTZEE-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO C[C@@H](O)CNc1cc(NCc2ccoc2)nc[nH+]1 ZINC000294531364 385863358 /nfs/dbraw/zinc/86/33/58/385863358.db2.gz VJQPXWACMWDJPG-SECBINFHSA-N 1 2 248.286 1.474 20 0 BDADLO C[C@@H](O)CNc1cc(NCc2ccoc2)[nH+]cn1 ZINC000294531364 385863360 /nfs/dbraw/zinc/86/33/60/385863360.db2.gz VJQPXWACMWDJPG-SECBINFHSA-N 1 2 248.286 1.474 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000148540232 385865067 /nfs/dbraw/zinc/86/50/67/385865067.db2.gz VLZVCUMWIJUAKL-BDAKNGLRSA-N 1 2 215.293 1.095 20 0 BDADLO OCC[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC000616640555 385865432 /nfs/dbraw/zinc/86/54/32/385865432.db2.gz HCQSQRCVWMTNPA-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO OCC[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC000616640555 385865436 /nfs/dbraw/zinc/86/54/36/385865436.db2.gz HCQSQRCVWMTNPA-LBPRGKRZSA-N 1 2 241.718 1.706 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cnn(C)c2)nc1 ZINC000272027977 385869871 /nfs/dbraw/zinc/86/98/71/385869871.db2.gz WGDVGZKGNDAPEX-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)nc1 ZINC000272027977 385869874 /nfs/dbraw/zinc/86/98/74/385869874.db2.gz WGDVGZKGNDAPEX-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nnc[nH]1)c1ccccc1 ZINC000284446862 385871347 /nfs/dbraw/zinc/87/13/47/385871347.db2.gz QPHFVELSIGUUCX-LBPRGKRZSA-N 1 2 246.314 1.624 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nnc[nH]1)c1ccccc1 ZINC000284446862 385871353 /nfs/dbraw/zinc/87/13/53/385871353.db2.gz QPHFVELSIGUUCX-LBPRGKRZSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1n[nH]cc1CNc1ccc(CO)c[nH+]1 ZINC000336738462 385875318 /nfs/dbraw/zinc/87/53/18/385875318.db2.gz OHQHMVZXKHEGLR-UHFFFAOYSA-N 1 2 218.260 1.218 20 0 BDADLO Cc1ccc(O)c(NC(=O)CCn2cc[nH+]c2)c1 ZINC000338050701 385880921 /nfs/dbraw/zinc/88/09/21/385880921.db2.gz ASIUOCTZYUQNOG-UHFFFAOYSA-N 1 2 245.282 1.926 20 0 BDADLO CC[C@H]1CCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000294674754 385881478 /nfs/dbraw/zinc/88/14/78/385881478.db2.gz STPLWDWQXUQOOU-QWRGUYRKSA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)C[C@H](CO)Nc1nc[nH+]c(N)c1Cl ZINC000232633931 385883243 /nfs/dbraw/zinc/88/32/43/385883243.db2.gz RKGNEFPIJSOJQG-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)C[C@H](CO)Nc1[nH+]cnc(N)c1Cl ZINC000232633931 385883245 /nfs/dbraw/zinc/88/32/45/385883245.db2.gz RKGNEFPIJSOJQG-SSDOTTSWSA-N 1 2 244.726 1.531 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425416789 385994677 /nfs/dbraw/zinc/99/46/77/385994677.db2.gz HDYIYAKJNZVPTC-LURJTMIESA-N 1 2 233.218 1.228 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425416789 385994686 /nfs/dbraw/zinc/99/46/86/385994686.db2.gz HDYIYAKJNZVPTC-LURJTMIESA-N 1 2 233.218 1.228 20 0 BDADLO C[C@H](C1CCCCC1)[N@H+](C)Cc1nnn(C)n1 ZINC000338350482 385978172 /nfs/dbraw/zinc/97/81/72/385978172.db2.gz QIPAVXAGUMAZBV-SNVBAGLBSA-N 1 2 237.351 1.611 20 0 BDADLO C[C@H](C1CCCCC1)[N@@H+](C)Cc1nnn(C)n1 ZINC000338350482 385978179 /nfs/dbraw/zinc/97/81/79/385978179.db2.gz QIPAVXAGUMAZBV-SNVBAGLBSA-N 1 2 237.351 1.611 20 0 BDADLO C[N@H+](CC(=O)NCC1CC1)Cc1ccccn1 ZINC000295177686 385985708 /nfs/dbraw/zinc/98/57/08/385985708.db2.gz PHJFTVHULVEGCQ-UHFFFAOYSA-N 1 2 233.315 1.040 20 0 BDADLO C[N@@H+](CC(=O)NCC1CC1)Cc1ccccn1 ZINC000295177686 385985712 /nfs/dbraw/zinc/98/57/12/385985712.db2.gz PHJFTVHULVEGCQ-UHFFFAOYSA-N 1 2 233.315 1.040 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295187979 385987193 /nfs/dbraw/zinc/98/71/93/385987193.db2.gz QSLDGSCWHXWIFS-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295187979 385987199 /nfs/dbraw/zinc/98/71/99/385987199.db2.gz QSLDGSCWHXWIFS-GFCCVEGCSA-N 1 2 249.358 1.818 20 0 BDADLO COC(=O)C[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000286046982 385990103 /nfs/dbraw/zinc/99/01/03/385990103.db2.gz QWRYJNBNAJPBLW-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO COC(=O)C[N@@H+](C)CC[C@@H](O)c1ccccc1 ZINC000286046982 385990110 /nfs/dbraw/zinc/99/01/10/385990110.db2.gz QWRYJNBNAJPBLW-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000338235077 385930901 /nfs/dbraw/zinc/93/09/01/385930901.db2.gz HCVFEFZTJDYRAX-IONNQARKSA-N 1 2 227.333 1.364 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](O)C2)s1 ZINC000338235077 385930907 /nfs/dbraw/zinc/93/09/07/385930907.db2.gz HCVFEFZTJDYRAX-IONNQARKSA-N 1 2 227.333 1.364 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(F)cn1 ZINC000273362902 385993104 /nfs/dbraw/zinc/99/31/04/385993104.db2.gz SXLVOUGQKBCLRH-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO CC[C@H]1C[C@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338272043 385936313 /nfs/dbraw/zinc/93/63/13/385936313.db2.gz XYSPHGWOPKYPNM-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)s1 ZINC000295020438 385944154 /nfs/dbraw/zinc/94/41/54/385944154.db2.gz NBSDWHYXSLRRKZ-QMMMGPOBSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(C)s1 ZINC000295020438 385944158 /nfs/dbraw/zinc/94/41/58/385944158.db2.gz NBSDWHYXSLRRKZ-QMMMGPOBSA-N 1 2 238.356 1.685 20 0 BDADLO CCCC[N@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425395965 385945456 /nfs/dbraw/zinc/94/54/56/385945456.db2.gz OPYXUXXJUXBBDR-UHFFFAOYSA-N 1 2 249.261 1.602 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nc(C(F)F)no1 ZINC000425395965 385945464 /nfs/dbraw/zinc/94/54/64/385945464.db2.gz OPYXUXXJUXBBDR-UHFFFAOYSA-N 1 2 249.261 1.602 20 0 BDADLO CC[N@H+](CCO)[C@@H](C)c1nnc(C)s1 ZINC000338306883 385954057 /nfs/dbraw/zinc/95/40/57/385954057.db2.gz OPAADPYMCGPVPP-ZETCQYMHSA-N 1 2 215.322 1.222 20 0 BDADLO CC[N@@H+](CCO)[C@@H](C)c1nnc(C)s1 ZINC000338306883 385954064 /nfs/dbraw/zinc/95/40/64/385954064.db2.gz OPAADPYMCGPVPP-ZETCQYMHSA-N 1 2 215.322 1.222 20 0 BDADLO CC(C)=CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338297003 385956188 /nfs/dbraw/zinc/95/61/88/385956188.db2.gz VAKKRVSCWXKRNE-LBPRGKRZSA-N 1 2 223.316 1.633 20 0 BDADLO CC(C)=CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338297003 385956194 /nfs/dbraw/zinc/95/61/94/385956194.db2.gz VAKKRVSCWXKRNE-LBPRGKRZSA-N 1 2 223.316 1.633 20 0 BDADLO Cc1cc(CNC(=O)c2cncn2C)cc(C)[nH+]1 ZINC000335055874 385957200 /nfs/dbraw/zinc/95/72/00/385957200.db2.gz RNVVGCRYWRGWQI-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc(C)c1O ZINC000295076097 385961534 /nfs/dbraw/zinc/96/15/34/385961534.db2.gz RMMZSRTZDMFKTN-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)cc(C)c1O ZINC000295076097 385961537 /nfs/dbraw/zinc/96/15/37/385961537.db2.gz RMMZSRTZDMFKTN-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295092952 385964832 /nfs/dbraw/zinc/96/48/32/385964832.db2.gz UBYGXHSFUQFWCB-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295092952 385964836 /nfs/dbraw/zinc/96/48/36/385964836.db2.gz UBYGXHSFUQFWCB-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000345060104 385965969 /nfs/dbraw/zinc/96/59/69/385965969.db2.gz PTTOPSXLSRITBS-QWRGUYRKSA-N 1 2 221.304 1.436 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295098312 385967340 /nfs/dbraw/zinc/96/73/40/385967340.db2.gz UMVAFKCQNIOMNI-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295098312 385967345 /nfs/dbraw/zinc/96/73/45/385967345.db2.gz UMVAFKCQNIOMNI-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO CC(C)CNC(=O)C[N@H+](C)Cc1ccoc1 ZINC000345096123 385994412 /nfs/dbraw/zinc/99/44/12/385994412.db2.gz LBQFKYNYISWWQO-UHFFFAOYSA-N 1 2 224.304 1.484 20 0 BDADLO CC(C)CNC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000345096123 385994419 /nfs/dbraw/zinc/99/44/19/385994419.db2.gz LBQFKYNYISWWQO-UHFFFAOYSA-N 1 2 224.304 1.484 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC2(CO)CC2)s1 ZINC000338342222 385973886 /nfs/dbraw/zinc/97/38/86/385973886.db2.gz HSPAYARMXGKQLW-QMMMGPOBSA-N 1 2 241.360 1.612 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC2(CO)CC2)s1 ZINC000338342222 385973890 /nfs/dbraw/zinc/97/38/90/385973890.db2.gz HSPAYARMXGKQLW-QMMMGPOBSA-N 1 2 241.360 1.612 20 0 BDADLO CC(=O)c1cn(Cc2ccc[nH+]c2C)nn1 ZINC000309297637 386003882 /nfs/dbraw/zinc/00/38/82/386003882.db2.gz XJVPZPDHBFXCQU-UHFFFAOYSA-N 1 2 216.244 1.232 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2conc2C)[C@@H](C)C1 ZINC000295278766 386005497 /nfs/dbraw/zinc/00/54/97/386005497.db2.gz IGEDFCCKZHQSTO-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2conc2C)[C@@H](C)C1 ZINC000295278766 386005502 /nfs/dbraw/zinc/00/55/02/386005502.db2.gz IGEDFCCKZHQSTO-VIFPVBQESA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)[nH]n1 ZINC000335066354 386007059 /nfs/dbraw/zinc/00/70/59/386007059.db2.gz CCYGGMYOIYHSCR-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cncs2)n1 ZINC000336770199 386010629 /nfs/dbraw/zinc/01/06/29/386010629.db2.gz WJBMGNLVGOZJHI-ZCFIWIBFSA-N 1 2 224.289 1.685 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC2(C)C)c[nH+]1 ZINC000335069196 386014549 /nfs/dbraw/zinc/01/45/49/386014549.db2.gz DCGWDODIUQPWQD-QMMMGPOBSA-N 1 2 207.277 1.494 20 0 BDADLO Cc1nc(N2CC(O)(c3ccccc3)C2)cc[nH+]1 ZINC000286272794 386017163 /nfs/dbraw/zinc/01/71/63/386017163.db2.gz FUNNPDCIYJXVOR-UHFFFAOYSA-N 1 2 241.294 1.493 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000295361221 386019984 /nfs/dbraw/zinc/01/99/84/386019984.db2.gz NUWUWVPSPJUJEQ-QMMMGPOBSA-N 1 2 243.253 1.891 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000295385146 386023207 /nfs/dbraw/zinc/02/32/07/386023207.db2.gz PJPAVXNUORDOPI-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000295385146 386023212 /nfs/dbraw/zinc/02/32/12/386023212.db2.gz PJPAVXNUORDOPI-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1cccnc1 ZINC000345164774 386024245 /nfs/dbraw/zinc/02/42/45/386024245.db2.gz XPEAQXVRTVDENB-JTQLQIEISA-N 1 2 244.298 1.267 20 0 BDADLO Cc1cc(CNC(=O)c2ccon2)cc(C)[nH+]1 ZINC000335072281 386024788 /nfs/dbraw/zinc/02/47/88/386024788.db2.gz DJCYCLZITZPFSJ-UHFFFAOYSA-N 1 2 231.255 1.616 20 0 BDADLO Cc1ccc(N[C@H](C)c2ccc(=O)[nH]n2)c[nH+]1 ZINC000286345233 386026683 /nfs/dbraw/zinc/02/66/83/386026683.db2.gz ZABABVSMUMJUHT-SECBINFHSA-N 1 2 230.271 1.646 20 0 BDADLO C[C@@]1(C(=O)NCc2cn3ccccc3[nH+]2)C[C@H]1F ZINC000335063732 386031365 /nfs/dbraw/zinc/03/13/65/386031365.db2.gz VTCFHLSULKTMSP-ZWNOBZJWSA-N 1 2 247.273 1.699 20 0 BDADLO Cc1sccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000295431631 386031925 /nfs/dbraw/zinc/03/19/25/386031925.db2.gz TUEOTRFYCLXWBK-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1sccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000295431631 386031932 /nfs/dbraw/zinc/03/19/32/386031932.db2.gz TUEOTRFYCLXWBK-MRVPVSSYSA-N 1 2 224.329 1.377 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cnoc1C ZINC000189582893 386033614 /nfs/dbraw/zinc/03/36/14/386033614.db2.gz PZZODNMPVGXZPV-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cnoc1C ZINC000189582893 386033617 /nfs/dbraw/zinc/03/36/17/386033617.db2.gz PZZODNMPVGXZPV-LLVKDONJSA-N 1 2 238.287 1.511 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425420248 386039605 /nfs/dbraw/zinc/03/96/05/386039605.db2.gz OQWISOBXIPYZPA-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425420248 386039610 /nfs/dbraw/zinc/03/96/10/386039610.db2.gz OQWISOBXIPYZPA-LURJTMIESA-N 1 2 235.234 1.210 20 0 BDADLO CCN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000074535436 386039735 /nfs/dbraw/zinc/03/97/35/386039735.db2.gz BURNOSTZGJMPOI-UHFFFAOYSA-N 1 2 238.335 1.700 20 0 BDADLO CO[C@@H](C[N@@H+]1CCNC(=O)[C@H]1C)c1ccccc1 ZINC000338549055 386044820 /nfs/dbraw/zinc/04/48/20/386044820.db2.gz MEPNGUNAWRLOHP-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C[N@H+]1CCNC(=O)[C@H]1C)c1ccccc1 ZINC000338549055 386044825 /nfs/dbraw/zinc/04/48/25/386044825.db2.gz MEPNGUNAWRLOHP-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000340234591 386057635 /nfs/dbraw/zinc/05/76/35/386057635.db2.gz ANSOLKPRNQVTGB-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000340234591 386057640 /nfs/dbraw/zinc/05/76/40/386057640.db2.gz ANSOLKPRNQVTGB-CYBMUJFWSA-N 1 2 237.347 1.729 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000425434638 386052331 /nfs/dbraw/zinc/05/23/31/386052331.db2.gz QJRXSPUQXIXGBL-MVWJERBFSA-N 1 2 243.347 1.589 20 0 BDADLO CO[C@H](C)CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000287252716 386106620 /nfs/dbraw/zinc/10/66/20/386106620.db2.gz XKKITABOLODLBP-SNVBAGLBSA-N 1 2 237.303 1.889 20 0 BDADLO c1nc(N2C[C@H]3CCC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000647871744 386108041 /nfs/dbraw/zinc/10/80/41/386108041.db2.gz LRSNSGGIMWAYEM-NXEZZACHSA-N 1 2 246.314 1.517 20 0 BDADLO c1nc2c(c(N3C[C@H]4CCC[C@@H]4C3)[nH+]1)OCCN2 ZINC000647871744 386108045 /nfs/dbraw/zinc/10/80/45/386108045.db2.gz LRSNSGGIMWAYEM-NXEZZACHSA-N 1 2 246.314 1.517 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2C)o1 ZINC000038007343 386111156 /nfs/dbraw/zinc/11/11/56/386111156.db2.gz CZFIFFGTVVPWCX-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000424886951 386116873 /nfs/dbraw/zinc/11/68/73/386116873.db2.gz FHUOSHDWPXVHCC-DGCLKSJQSA-N 1 2 249.358 1.905 20 0 BDADLO O=S1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000334461940 386118979 /nfs/dbraw/zinc/11/89/79/386118979.db2.gz PSEXJEUDPRGNPZ-KGLIPLIRSA-N 1 2 249.379 1.854 20 0 BDADLO C[C@@H](CN(C)C)[NH2+]Cc1cc(F)ncc1F ZINC000295592182 386059089 /nfs/dbraw/zinc/05/90/89/386059089.db2.gz CETSFIVXRVJIOV-QMMMGPOBSA-N 1 2 229.274 1.400 20 0 BDADLO FC(F)C[C@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000286638225 386060431 /nfs/dbraw/zinc/06/04/31/386060431.db2.gz YPRZWXWIVJMUNA-NSHDSACASA-N 1 2 242.269 1.938 20 0 BDADLO FC(F)C[C@H]1COCC[N@H+]1Cc1ccncc1 ZINC000286638225 386060438 /nfs/dbraw/zinc/06/04/38/386060438.db2.gz YPRZWXWIVJMUNA-NSHDSACASA-N 1 2 242.269 1.938 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC(C2CC2)C1 ZINC000643290617 386061038 /nfs/dbraw/zinc/06/10/38/386061038.db2.gz QOJYCMAIOAXRLA-UHFFFAOYSA-N 1 2 241.294 1.816 20 0 BDADLO O=C(CC1CC1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000334462918 386122108 /nfs/dbraw/zinc/12/21/08/386122108.db2.gz YHGJANJINGUJFN-CYBMUJFWSA-N 1 2 245.326 1.355 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286779071 386071849 /nfs/dbraw/zinc/07/18/49/386071849.db2.gz HELMQHAHQWZTPG-LBPRGKRZSA-N 1 2 242.294 1.588 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286779071 386071855 /nfs/dbraw/zinc/07/18/55/386071855.db2.gz HELMQHAHQWZTPG-LBPRGKRZSA-N 1 2 242.294 1.588 20 0 BDADLO O=C(NC[C@@H]1CCCO1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000365389394 386074707 /nfs/dbraw/zinc/07/47/07/386074707.db2.gz XVCKFJOXWOXAML-VHSXEESVSA-N 1 2 249.314 1.125 20 0 BDADLO O=C(NC[C@@H]1CCCO1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000365389394 386074709 /nfs/dbraw/zinc/07/47/09/386074709.db2.gz XVCKFJOXWOXAML-VHSXEESVSA-N 1 2 249.314 1.125 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)[C@H](C)CO ZINC000425449246 386083323 /nfs/dbraw/zinc/08/33/23/386083323.db2.gz SGXZWRZTIJXAKO-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)[C@H](C)CO ZINC000425449246 386083326 /nfs/dbraw/zinc/08/33/26/386083326.db2.gz SGXZWRZTIJXAKO-ZCFIWIBFSA-N 1 2 235.234 1.210 20 0 BDADLO CCOC[C@@H]([NH2+][C@H](C)C(=O)OCC)C(C)C ZINC000189803727 386090588 /nfs/dbraw/zinc/09/05/88/386090588.db2.gz FEZQTXMXPMMCIE-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCOCC12CCCC2 ZINC000334473808 386146936 /nfs/dbraw/zinc/14/69/36/386146936.db2.gz JZGMLCJLMNTSBY-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1ccnc1C[N@H+]1CCOCC12CCCC2 ZINC000334473808 386146941 /nfs/dbraw/zinc/14/69/41/386146941.db2.gz JZGMLCJLMNTSBY-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cn1cc[nH+]c1CN1CCOCC12CCCC2 ZINC000334473808 386146944 /nfs/dbraw/zinc/14/69/44/386146944.db2.gz JZGMLCJLMNTSBY-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1C ZINC000190084255 386147359 /nfs/dbraw/zinc/14/73/59/386147359.db2.gz NXYJFSQUYFEXOK-ZDUSSCGKSA-N 1 2 246.354 1.966 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1C ZINC000190084255 386147362 /nfs/dbraw/zinc/14/73/62/386147362.db2.gz NXYJFSQUYFEXOK-ZDUSSCGKSA-N 1 2 246.354 1.966 20 0 BDADLO O=C1NCCC[C@@H]1[N@H+]1Cc2cccc(F)c2C1 ZINC000335156472 386150733 /nfs/dbraw/zinc/15/07/33/386150733.db2.gz QTBFGBIYKTZGBL-LBPRGKRZSA-N 1 2 234.274 1.420 20 0 BDADLO O=C1NCCC[C@@H]1[N@@H+]1Cc2cccc(F)c2C1 ZINC000335156472 386150734 /nfs/dbraw/zinc/15/07/34/386150734.db2.gz QTBFGBIYKTZGBL-LBPRGKRZSA-N 1 2 234.274 1.420 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000296279430 386158101 /nfs/dbraw/zinc/15/81/01/386158101.db2.gz QBTUNOSNOUIVPE-FSIBCCDJSA-N 1 2 235.287 1.107 20 0 BDADLO Cc1csc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000296284388 386158299 /nfs/dbraw/zinc/15/82/99/386158299.db2.gz YXRRXFFXHXYSQC-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC1 ZINC000346149937 386169388 /nfs/dbraw/zinc/16/93/88/386169388.db2.gz LGGLRZWFOAHWOZ-WCBMZHEXSA-N 1 2 233.315 1.744 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)C1CC1 ZINC000346149937 386169391 /nfs/dbraw/zinc/16/93/91/386169391.db2.gz LGGLRZWFOAHWOZ-WCBMZHEXSA-N 1 2 233.315 1.744 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000275004858 386169746 /nfs/dbraw/zinc/16/97/46/386169746.db2.gz QEUYHTYRQNHIKK-SKDRFNHKSA-N 1 2 221.304 1.708 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccncc2)CC(=O)N1C ZINC000334479977 386171786 /nfs/dbraw/zinc/17/17/86/386171786.db2.gz SWOODOBLMZASTJ-AAOUONPWSA-N 1 2 245.326 1.257 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)CC(=O)N1C ZINC000334479977 386171790 /nfs/dbraw/zinc/17/17/90/386171790.db2.gz SWOODOBLMZASTJ-AAOUONPWSA-N 1 2 245.326 1.257 20 0 BDADLO CC/C=C/CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000296459886 386174695 /nfs/dbraw/zinc/17/46/95/386174695.db2.gz WCEWKKLMUCRPGD-ZWNMCFTASA-N 1 2 236.319 1.537 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(F)cc1F ZINC000263770903 386174786 /nfs/dbraw/zinc/17/47/86/386174786.db2.gz JVFIQOJAQMMOMZ-NSHDSACASA-N 1 2 242.269 1.661 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cc1F ZINC000263770903 386174789 /nfs/dbraw/zinc/17/47/89/386174789.db2.gz JVFIQOJAQMMOMZ-NSHDSACASA-N 1 2 242.269 1.661 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)no1 ZINC000366933715 386184433 /nfs/dbraw/zinc/18/44/33/386184433.db2.gz MBKNQKQPXZLEHJ-GHMZBOCLSA-N 1 2 237.303 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)no1 ZINC000366933715 386184439 /nfs/dbraw/zinc/18/44/39/386184439.db2.gz MBKNQKQPXZLEHJ-GHMZBOCLSA-N 1 2 237.303 1.521 20 0 BDADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000275156937 386187326 /nfs/dbraw/zinc/18/73/26/386187326.db2.gz HZCGBSQHCXYGRL-QMMMGPOBSA-N 1 2 247.302 1.319 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000274605452 386126780 /nfs/dbraw/zinc/12/67/80/386126780.db2.gz OFSPDFZJKIOZJE-ZJUUUORDSA-N 1 2 221.304 1.328 20 0 BDADLO CN(c1[nH+]c2cccc(F)c2n1C)C1CC(O)C1 ZINC000334467521 386139418 /nfs/dbraw/zinc/13/94/18/386139418.db2.gz WOMGFNGUUNYJDM-UHFFFAOYSA-N 1 2 249.289 1.672 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274715748 386141324 /nfs/dbraw/zinc/14/13/24/386141324.db2.gz MWIXHFOYHLERFQ-JHJVBQTASA-N 1 2 249.358 1.928 20 0 BDADLO Cc1cncc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000190039543 386143346 /nfs/dbraw/zinc/14/33/46/386143346.db2.gz QUOPLNUYEBXNQQ-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cncc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000190039543 386143353 /nfs/dbraw/zinc/14/33/53/386143353.db2.gz QUOPLNUYEBXNQQ-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO COC[C@@H](C)SCCn1cc[nH+]c1 ZINC000122503494 386211918 /nfs/dbraw/zinc/21/19/18/386211918.db2.gz XANDABFTAOPTHO-SECBINFHSA-N 1 2 200.307 1.651 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H](C)CO)cs1 ZINC000125033811 386216078 /nfs/dbraw/zinc/21/60/78/386216078.db2.gz AUWNWOQIASZRNC-SSDOTTSWSA-N 1 2 200.307 1.264 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H](C)CO)cs1 ZINC000125033811 386216081 /nfs/dbraw/zinc/21/60/81/386216081.db2.gz AUWNWOQIASZRNC-SSDOTTSWSA-N 1 2 200.307 1.264 20 0 BDADLO CC(C)C(=O)NCCNc1cc[nH+]c(C2CC2)n1 ZINC000264656551 386260056 /nfs/dbraw/zinc/26/00/56/386260056.db2.gz PXLOYZWHRDNVHJ-UHFFFAOYSA-N 1 2 248.330 1.538 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)C(F)(F)F)c[nH+]1 ZINC000288619994 386221978 /nfs/dbraw/zinc/22/19/78/386221978.db2.gz OGUDBURREHTPQG-SCSAIBSYSA-N 1 2 221.182 1.399 20 0 BDADLO CCS(=O)(=O)C[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000131866319 386225264 /nfs/dbraw/zinc/22/52/64/386225264.db2.gz GGVXOYFOFAXISB-JTQLQIEISA-N 1 2 242.344 1.625 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOC1CCC1 ZINC000347039719 386225861 /nfs/dbraw/zinc/22/58/61/386225861.db2.gz WQTOQTNFMJNCSV-LLVKDONJSA-N 1 2 243.347 1.827 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOC1CCC1 ZINC000347039719 386225864 /nfs/dbraw/zinc/22/58/64/386225864.db2.gz WQTOQTNFMJNCSV-LLVKDONJSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H]1C[N@H+](CCOC2CCC2)CC[S@@]1=O ZINC000347038262 386226497 /nfs/dbraw/zinc/22/64/97/386226497.db2.gz UWKRFDQELVRIPJ-BMIGLBTASA-N 1 2 231.361 1.008 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC2CCC2)CC[S@@]1=O ZINC000347038262 386226506 /nfs/dbraw/zinc/22/65/06/386226506.db2.gz UWKRFDQELVRIPJ-BMIGLBTASA-N 1 2 231.361 1.008 20 0 BDADLO C[N@H+](Cc1cnns1)[C@H](CO)c1ccccc1 ZINC000297182625 386230888 /nfs/dbraw/zinc/23/08/88/386230888.db2.gz QBGUBCVODNATFI-GFCCVEGCSA-N 1 2 249.339 1.704 20 0 BDADLO C[N@@H+](Cc1cnns1)[C@H](CO)c1ccccc1 ZINC000297182625 386230892 /nfs/dbraw/zinc/23/08/92/386230892.db2.gz QBGUBCVODNATFI-GFCCVEGCSA-N 1 2 249.339 1.704 20 0 BDADLO C[N@H+](CC(N)=O)Cc1ccc(Cl)cc1F ZINC000264387406 386231160 /nfs/dbraw/zinc/23/11/60/386231160.db2.gz AAQLVKUOEPSABL-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1F ZINC000264387406 386231162 /nfs/dbraw/zinc/23/11/62/386231162.db2.gz AAQLVKUOEPSABL-UHFFFAOYSA-N 1 2 230.670 1.396 20 0 BDADLO c1nc(C[NH+]2CC([C@H]3CCOC3)C2)cs1 ZINC000366250350 386233292 /nfs/dbraw/zinc/23/32/92/386233292.db2.gz SHECYQBSAWYDOJ-VIFPVBQESA-N 1 2 224.329 1.611 20 0 BDADLO C[C@@H](NC(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000288798956 386234952 /nfs/dbraw/zinc/23/49/52/386234952.db2.gz KPEQRJSRPFBUFZ-RXMQYKEDSA-N 1 2 236.197 1.160 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C)Cc1cccn1C ZINC000340564157 386239098 /nfs/dbraw/zinc/23/90/98/386239098.db2.gz VMULZPTZVKGCHH-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C)Cc1cccn1C ZINC000340564157 386239102 /nfs/dbraw/zinc/23/91/02/386239102.db2.gz VMULZPTZVKGCHH-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1cn[nH]c1C[N@@H+](C)Cc1cccn1C ZINC000340564157 386239105 /nfs/dbraw/zinc/23/91/05/386239105.db2.gz VMULZPTZVKGCHH-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1cn[nH]c1C[N@H+](C)Cc1cccn1C ZINC000340564157 386239109 /nfs/dbraw/zinc/23/91/09/386239109.db2.gz VMULZPTZVKGCHH-UHFFFAOYSA-N 1 2 218.304 1.689 20 0 BDADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)nn1C ZINC000414385035 386239764 /nfs/dbraw/zinc/23/97/64/386239764.db2.gz WFXVKXPJNCNHMF-UHFFFAOYSA-N 1 2 245.330 1.224 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCc3occc3C2)o1 ZINC000288931934 386241482 /nfs/dbraw/zinc/24/14/82/386241482.db2.gz WBAHLAIFBQSVDF-UHFFFAOYSA-N 1 2 233.271 1.919 20 0 BDADLO Cc1nnc(C[N@H+]2CCCc3occc3C2)o1 ZINC000288931934 386241486 /nfs/dbraw/zinc/24/14/86/386241486.db2.gz WBAHLAIFBQSVDF-UHFFFAOYSA-N 1 2 233.271 1.919 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1Cc2ccccc2C1 ZINC000264510909 386243390 /nfs/dbraw/zinc/24/33/90/386243390.db2.gz TXAFNTGDISLIRQ-UHFFFAOYSA-N 1 2 241.294 1.816 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCCc2occc2C1 ZINC000288949911 386244445 /nfs/dbraw/zinc/24/44/45/386244445.db2.gz XKKAMMGAFSPTRI-SNVBAGLBSA-N 1 2 221.256 1.343 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCCc2occc2C1 ZINC000288949911 386244447 /nfs/dbraw/zinc/24/44/47/386244447.db2.gz XKKAMMGAFSPTRI-SNVBAGLBSA-N 1 2 221.256 1.343 20 0 BDADLO CO[C@@H](C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275833126 386244489 /nfs/dbraw/zinc/24/44/89/386244489.db2.gz MJAVPFRZFMQRLD-CMPLNLGQSA-N 1 2 246.314 1.519 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccoc1C ZINC000414386960 386246615 /nfs/dbraw/zinc/24/66/15/386246615.db2.gz XXMZMHCYLBZXAM-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccoc1C ZINC000414386960 386246619 /nfs/dbraw/zinc/24/66/19/386246619.db2.gz XXMZMHCYLBZXAM-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO O=C(c1cc[nH]c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264552549 386246858 /nfs/dbraw/zinc/24/68/58/386246858.db2.gz WUCUWHNHBSZWKW-UHFFFAOYSA-N 1 2 244.298 1.758 20 0 BDADLO C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000347102696 386250401 /nfs/dbraw/zinc/25/04/01/386250401.db2.gz MWZJCGVSYBLTCK-LBPRGKRZSA-N 1 2 244.342 1.651 20 0 BDADLO C[C@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275907443 386253115 /nfs/dbraw/zinc/25/31/15/386253115.db2.gz WLOFNCVXRSATDP-CMPLNLGQSA-N 1 2 246.314 1.112 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccc3occc3c2)C1 ZINC000297432035 386253787 /nfs/dbraw/zinc/25/37/87/386253787.db2.gz NJNQIECJUKZHHS-UHFFFAOYSA-N 1 2 244.294 1.753 20 0 BDADLO O=C([C@@H]1CCOC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263907646 386191492 /nfs/dbraw/zinc/19/14/92/386191492.db2.gz IOMRJBYRGXDJCE-WDEREUQCSA-N 1 2 249.314 1.152 20 0 BDADLO Cc1ccsc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000275214023 386194074 /nfs/dbraw/zinc/19/40/74/386194074.db2.gz JTESLBBFJVRCPU-UHFFFAOYSA-N 1 2 238.356 1.879 20 0 BDADLO CC(C)(C)c1n[nH]cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000340585236 386286944 /nfs/dbraw/zinc/28/69/44/386286944.db2.gz STCGMLPINSSVBF-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO CC(C)(C)c1n[nH]cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000340585236 386286947 /nfs/dbraw/zinc/28/69/47/386286947.db2.gz STCGMLPINSSVBF-UHFFFAOYSA-N 1 2 247.302 1.360 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccoc2C)CCO1 ZINC000414397113 386290255 /nfs/dbraw/zinc/29/02/55/386290255.db2.gz QPYHQJXPSASQTQ-LBPRGKRZSA-N 1 2 225.288 1.435 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccoc2C)CCO1 ZINC000414397113 386290258 /nfs/dbraw/zinc/29/02/58/386290258.db2.gz QPYHQJXPSASQTQ-LBPRGKRZSA-N 1 2 225.288 1.435 20 0 BDADLO FC(F)(F)Cn1ccnc1Cn1cc[nH+]c1 ZINC000336660708 386299824 /nfs/dbraw/zinc/29/98/24/386299824.db2.gz BBQCYCNJCGBIFQ-UHFFFAOYSA-N 1 2 230.193 1.690 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289401969 386299995 /nfs/dbraw/zinc/29/99/95/386299995.db2.gz SEVPTSQJPHAHKX-ZDUSSCGKSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289401969 386300002 /nfs/dbraw/zinc/30/00/02/386300002.db2.gz SEVPTSQJPHAHKX-ZDUSSCGKSA-N 1 2 244.294 1.486 20 0 BDADLO Cn1cnnc1C[N@H+](C)CCOC(C)(C)C ZINC000336660727 386300533 /nfs/dbraw/zinc/30/05/33/386300533.db2.gz BEZHNXVPTGWFIW-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CCOC(C)(C)C ZINC000336660727 386300539 /nfs/dbraw/zinc/30/05/39/386300539.db2.gz BEZHNXVPTGWFIW-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298145872 386302389 /nfs/dbraw/zinc/30/23/89/386302389.db2.gz DEGGSQDNYQZQGO-BDAKNGLRSA-N 1 2 224.308 1.480 20 0 BDADLO CC[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298145872 386302394 /nfs/dbraw/zinc/30/23/94/386302394.db2.gz DEGGSQDNYQZQGO-BDAKNGLRSA-N 1 2 224.308 1.480 20 0 BDADLO Cc1csc(C[N@@H+](CC(N)=O)CC(C)C)n1 ZINC000081648609 386305841 /nfs/dbraw/zinc/30/58/41/386305841.db2.gz UOSNPXQYHOQBSC-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO Cc1csc(C[N@H+](CC(N)=O)CC(C)C)n1 ZINC000081648609 386305847 /nfs/dbraw/zinc/30/58/47/386305847.db2.gz UOSNPXQYHOQBSC-UHFFFAOYSA-N 1 2 241.360 1.395 20 0 BDADLO CSCCC[N@H+](C)Cc1nnnn1C1CC1 ZINC000336669084 386310924 /nfs/dbraw/zinc/31/09/24/386310924.db2.gz VRJZKHANDYUXPQ-UHFFFAOYSA-N 1 2 241.364 1.193 20 0 BDADLO CSCCC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000336669084 386310929 /nfs/dbraw/zinc/31/09/29/386310929.db2.gz VRJZKHANDYUXPQ-UHFFFAOYSA-N 1 2 241.364 1.193 20 0 BDADLO Cc1oncc1C[NH+]1CCN(CC(F)F)CC1 ZINC000347274238 386312724 /nfs/dbraw/zinc/31/27/24/386312724.db2.gz ZHVMELMGJGRUDW-UHFFFAOYSA-N 1 2 245.273 1.366 20 0 BDADLO Nc1[nH+]cnc(NCCOCC2CC2)c1Cl ZINC000236391281 386262017 /nfs/dbraw/zinc/26/20/17/386262017.db2.gz CQDNEJRIKOOVAC-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BDADLO Nc1nc[nH+]c(NCCOCC2CC2)c1Cl ZINC000236391281 386262022 /nfs/dbraw/zinc/26/20/22/386262022.db2.gz CQDNEJRIKOOVAC-UHFFFAOYSA-N 1 2 242.710 1.551 20 0 BDADLO Cc1c[nH+]ccc1CCNc1nncs1 ZINC000297534384 386262215 /nfs/dbraw/zinc/26/22/15/386262215.db2.gz PLUNDIWJLGXPCH-UHFFFAOYSA-N 1 2 220.301 1.896 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCCCO2)c[nH+]1 ZINC000264699131 386263874 /nfs/dbraw/zinc/26/38/74/386263874.db2.gz BLSCBXPXBCQFMB-SECBINFHSA-N 1 2 223.276 1.017 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cncc(F)c2)n1 ZINC000347161552 386264398 /nfs/dbraw/zinc/26/43/98/386264398.db2.gz HXAKEQZPBNUAES-SSDOTTSWSA-N 1 2 236.250 1.763 20 0 BDADLO COC1(C)CC[NH+](Cc2noc(C)n2)CC1 ZINC000336651872 386265483 /nfs/dbraw/zinc/26/54/83/386265483.db2.gz IETJCDCJXQRXRU-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO CCOc1cc(NCCn2cc[nH+]c2)ncn1 ZINC000090793341 386269158 /nfs/dbraw/zinc/26/91/58/386269158.db2.gz FMQNEPMZVZLPRC-UHFFFAOYSA-N 1 2 233.275 1.184 20 0 BDADLO C[C@H](C(=O)N(C)CC(C)(C)C)[NH+]1CCOCC1 ZINC000339159383 386270515 /nfs/dbraw/zinc/27/05/15/386270515.db2.gz KJMUBRMJGZXUKE-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CN1CC[N@H+](CCOC(C)C)CC1=O ZINC000187057757 386272793 /nfs/dbraw/zinc/27/27/93/386272793.db2.gz VWVJBQVDRQKREQ-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO CC(C)CN1CC[N@@H+](CCOC(C)C)CC1=O ZINC000187057757 386272796 /nfs/dbraw/zinc/27/27/96/386272796.db2.gz VWVJBQVDRQKREQ-UHFFFAOYSA-N 1 2 242.363 1.212 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C=CCCC1 ZINC000339164447 386274374 /nfs/dbraw/zinc/27/43/74/386274374.db2.gz SXAFJBNJMATHDP-NSHDSACASA-N 1 2 233.315 1.578 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1occc1C ZINC000276121071 386274999 /nfs/dbraw/zinc/27/49/99/386274999.db2.gz BGBKWZUBNNWLPS-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1occc1C ZINC000276121071 386275003 /nfs/dbraw/zinc/27/50/03/386275003.db2.gz BGBKWZUBNNWLPS-JTQLQIEISA-N 1 2 225.288 1.971 20 0 BDADLO CO[C@@H]1C[NH+](Cc2nc(C)cs2)C[C@H]1OC ZINC000336661858 386278419 /nfs/dbraw/zinc/27/84/19/386278419.db2.gz AUEDGVZVWIIYAC-NXEZZACHSA-N 1 2 242.344 1.297 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000416319620 386278372 /nfs/dbraw/zinc/27/83/72/386278372.db2.gz IBXKCAKHODZYQQ-MXWKQRLJSA-N 1 2 235.331 1.845 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276534862 386341421 /nfs/dbraw/zinc/34/14/21/386341421.db2.gz FKLWKUVOFWTWQU-BRAIEQGRSA-N 1 2 221.304 1.927 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2CC=CCC2)nc[nH+]1 ZINC000298433813 386342916 /nfs/dbraw/zinc/34/29/16/386342916.db2.gz XENHYNOIZMGRDR-MNOVXSKESA-N 1 2 248.330 1.790 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@H]2CC=CCC2)[nH+]cn1 ZINC000298433813 386342921 /nfs/dbraw/zinc/34/29/21/386342921.db2.gz XENHYNOIZMGRDR-MNOVXSKESA-N 1 2 248.330 1.790 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2csnn2)[C@@H](C)C1 ZINC000336688266 386351693 /nfs/dbraw/zinc/35/16/93/386351693.db2.gz LLCUQOIPUUEFDO-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2csnn2)[C@@H](C)C1 ZINC000336688266 386351698 /nfs/dbraw/zinc/35/16/98/386351698.db2.gz LLCUQOIPUUEFDO-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CC[C@@H](C)O)s1 ZINC000347313194 386353543 /nfs/dbraw/zinc/35/35/43/386353543.db2.gz QLBCYRYWXMKFIE-HTQZYQBOSA-N 1 2 229.349 1.610 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CC[C@@H](C)O)s1 ZINC000347313194 386353549 /nfs/dbraw/zinc/35/35/49/386353549.db2.gz QLBCYRYWXMKFIE-HTQZYQBOSA-N 1 2 229.349 1.610 20 0 BDADLO Cc1cc(CN(C)C(=O)C=Cc2c[nH]c[nH+]2)no1 ZINC000276615867 386354979 /nfs/dbraw/zinc/35/49/79/386354979.db2.gz QBIHKPAQXFLPEN-ONEGZZNKSA-N 1 2 246.270 1.378 20 0 BDADLO CCO[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276629742 386356501 /nfs/dbraw/zinc/35/65/01/386356501.db2.gz PGCRKMQKCFSAKX-VHSXEESVSA-N 1 2 239.319 1.648 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@H]1CO ZINC000276632290 386356527 /nfs/dbraw/zinc/35/65/27/386356527.db2.gz SYOODSGDGMEAEX-FANORHCKSA-N 1 2 249.314 1.090 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)no1 ZINC000298579880 386359654 /nfs/dbraw/zinc/35/96/54/386359654.db2.gz URXUHIGAKXCUFB-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)no1 ZINC000298579880 386359659 /nfs/dbraw/zinc/35/96/59/386359659.db2.gz URXUHIGAKXCUFB-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ccnc(C[N@H+](C)CCc2nccs2)n1 ZINC000336692637 386365123 /nfs/dbraw/zinc/36/51/23/386365123.db2.gz IOHBWSGBZDNNGT-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CCc2nccs2)n1 ZINC000336692637 386365132 /nfs/dbraw/zinc/36/51/32/386365132.db2.gz IOHBWSGBZDNNGT-UHFFFAOYSA-N 1 2 248.355 1.916 20 0 BDADLO CC(C)n1nnnc1C[N@@H+]1CCC12CCC2 ZINC000336689965 386371086 /nfs/dbraw/zinc/37/10/86/386371086.db2.gz ABHCSEHOGLMWAA-UHFFFAOYSA-N 1 2 221.308 1.382 20 0 BDADLO CC(C)n1nnnc1C[N@H+]1CCC12CCC2 ZINC000336689965 386371094 /nfs/dbraw/zinc/37/10/94/386371094.db2.gz ABHCSEHOGLMWAA-UHFFFAOYSA-N 1 2 221.308 1.382 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1Cc1cccnc1 ZINC000276776489 386375002 /nfs/dbraw/zinc/37/50/02/386375002.db2.gz IVOHDQVCTFPNBJ-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1cccnc1 ZINC000276776489 386375004 /nfs/dbraw/zinc/37/50/04/386375004.db2.gz IVOHDQVCTFPNBJ-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccon1 ZINC000265827881 386375233 /nfs/dbraw/zinc/37/52/33/386375233.db2.gz JTDHJAJFAABKDQ-ONGXEEELSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccon1 ZINC000265827881 386375236 /nfs/dbraw/zinc/37/52/36/386375236.db2.gz JTDHJAJFAABKDQ-ONGXEEELSA-N 1 2 210.277 1.674 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347384351 386377768 /nfs/dbraw/zinc/37/77/68/386377768.db2.gz OSNYQBJAJFCKFG-ZYHUDNBSSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347384351 386377771 /nfs/dbraw/zinc/37/77/71/386377771.db2.gz OSNYQBJAJFCKFG-ZYHUDNBSSA-N 1 2 230.327 1.581 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC23CCC3)cn1 ZINC000336696966 386377987 /nfs/dbraw/zinc/37/79/87/386377987.db2.gz KASCFVIMOAYIAB-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC23CCC3)cn1 ZINC000336696966 386377989 /nfs/dbraw/zinc/37/79/89/386377989.db2.gz KASCFVIMOAYIAB-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO CCCCOC(=O)CC[N@H+](C)Cc1ccon1 ZINC000265919526 386385185 /nfs/dbraw/zinc/38/51/85/386385185.db2.gz XYDOHBMNNKHMBO-UHFFFAOYSA-N 1 2 240.303 1.840 20 0 BDADLO CCCCOC(=O)CC[N@@H+](C)Cc1ccon1 ZINC000265919526 386385192 /nfs/dbraw/zinc/38/51/92/386385192.db2.gz XYDOHBMNNKHMBO-UHFFFAOYSA-N 1 2 240.303 1.840 20 0 BDADLO C[C@@H](C[N@@H+]1CC[C@](C)(F)C1)CS(C)(=O)=O ZINC000347396879 386385565 /nfs/dbraw/zinc/38/55/65/386385565.db2.gz VEFYMSWCIUNFHB-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@@H](C[N@H+]1CC[C@](C)(F)C1)CS(C)(=O)=O ZINC000347396879 386385567 /nfs/dbraw/zinc/38/55/67/386385567.db2.gz VEFYMSWCIUNFHB-UWVGGRQHSA-N 1 2 237.340 1.101 20 0 BDADLO CCCCN(C)C(=O)NCc1[nH+]ccn1CC ZINC000298342396 386327674 /nfs/dbraw/zinc/32/76/74/386327674.db2.gz GMLBGTBQFUOOAU-UHFFFAOYSA-N 1 2 238.335 1.845 20 0 BDADLO CO[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000334483843 386328218 /nfs/dbraw/zinc/32/82/18/386328218.db2.gz YTYPLURIQRSEQT-SNVBAGLBSA-N 1 2 231.299 1.798 20 0 BDADLO CC(C)n1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000276473358 386330780 /nfs/dbraw/zinc/33/07/80/386330780.db2.gz DTMXFLWFZJHJDY-UHFFFAOYSA-N 1 2 233.275 1.117 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347342490 386337727 /nfs/dbraw/zinc/33/77/27/386337727.db2.gz DQPSTUNXMPOVLB-LLVKDONJSA-N 1 2 216.300 1.337 20 0 BDADLO CCCCNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347342490 386337733 /nfs/dbraw/zinc/33/77/33/386337733.db2.gz DQPSTUNXMPOVLB-LLVKDONJSA-N 1 2 216.300 1.337 20 0 BDADLO C/C=C(/CC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000276523666 386338980 /nfs/dbraw/zinc/33/89/80/386338980.db2.gz LUDXKQMMUMQCIT-GFLSPSCZSA-N 1 2 235.331 1.992 20 0 BDADLO CCc1c(C(=O)NCc2[nH+]ccn2C)ccn1C ZINC000290486411 386442951 /nfs/dbraw/zinc/44/29/51/386442951.db2.gz ODGXBVYQPZRHNY-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000347546293 386447879 /nfs/dbraw/zinc/44/78/79/386447879.db2.gz FGIRMNHFPQDFOZ-VHSXEESVSA-N 1 2 234.299 1.974 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCOC[C@H]1C ZINC000277582970 386449016 /nfs/dbraw/zinc/44/90/16/386449016.db2.gz WABUTLCLDYSXEF-PWSUYJOCSA-N 1 2 249.314 1.937 20 0 BDADLO C[N@@H+](Cc1cocn1)C[C@H]1CCCCO1 ZINC000277585255 386449105 /nfs/dbraw/zinc/44/91/05/386449105.db2.gz CBADVRZUJYGFBU-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO C[N@H+](Cc1cocn1)C[C@H]1CCCCO1 ZINC000277585255 386449108 /nfs/dbraw/zinc/44/91/08/386449108.db2.gz CBADVRZUJYGFBU-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CCc1ncc(CN[C@H]2CCC[N@H+](C)[C@@H]2C)cn1 ZINC000414435280 386450484 /nfs/dbraw/zinc/45/04/84/386450484.db2.gz QUEZMYMFWIVGLK-YPMHNXCESA-N 1 2 248.374 1.611 20 0 BDADLO CCc1ncc(CN[C@H]2CCC[N@@H+](C)[C@@H]2C)cn1 ZINC000414435280 386450491 /nfs/dbraw/zinc/45/04/91/386450491.db2.gz QUEZMYMFWIVGLK-YPMHNXCESA-N 1 2 248.374 1.611 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cocn2)C[C@H]1C ZINC000277636787 386452965 /nfs/dbraw/zinc/45/29/65/386452965.db2.gz NHYRIIXLWPCBPM-KOLCDFICSA-N 1 2 238.287 1.306 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cocn2)C[C@H]1C ZINC000277636787 386452974 /nfs/dbraw/zinc/45/29/74/386452974.db2.gz NHYRIIXLWPCBPM-KOLCDFICSA-N 1 2 238.287 1.306 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2nc(C)no2)ccn1 ZINC000347554738 386451163 /nfs/dbraw/zinc/45/11/63/386451163.db2.gz GCIRWQDWNKXKAT-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000336704078 386393111 /nfs/dbraw/zinc/39/31/11/386393111.db2.gz PEDQCPPDEAXUCU-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000336704078 386393115 /nfs/dbraw/zinc/39/31/15/386393115.db2.gz PEDQCPPDEAXUCU-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C)o2)ccn1 ZINC000347552775 386451236 /nfs/dbraw/zinc/45/12/36/386451236.db2.gz CHXQVCGKYKSLJE-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO COC(=O)CCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266071378 386395252 /nfs/dbraw/zinc/39/52/52/386395252.db2.gz JZLDMLNPVOELKO-UHFFFAOYSA-N 1 2 247.254 1.226 20 0 BDADLO Cc1cc(C[N@H+](C)CCn2cccn2)nn1C ZINC000336705558 386396171 /nfs/dbraw/zinc/39/61/71/386396171.db2.gz NQNSPWORUVUSCS-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO Cc1cc(C[N@@H+](C)CCn2cccn2)nn1C ZINC000336705558 386396176 /nfs/dbraw/zinc/39/61/76/386396176.db2.gz NQNSPWORUVUSCS-UHFFFAOYSA-N 1 2 233.319 1.057 20 0 BDADLO C[N@H+](CCc1nccs1)Cc1cnns1 ZINC000290172793 386400363 /nfs/dbraw/zinc/40/03/63/386400363.db2.gz YLWOFMNXEBCAES-UHFFFAOYSA-N 1 2 240.357 1.669 20 0 BDADLO C[N@@H+](CCc1nccs1)Cc1cnns1 ZINC000290172793 386400369 /nfs/dbraw/zinc/40/03/69/386400369.db2.gz YLWOFMNXEBCAES-UHFFFAOYSA-N 1 2 240.357 1.669 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000336701667 386404783 /nfs/dbraw/zinc/40/47/83/386404783.db2.gz UKDAKRLTPBSXGO-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000336701667 386404789 /nfs/dbraw/zinc/40/47/89/386404789.db2.gz UKDAKRLTPBSXGO-GFCCVEGCSA-N 1 2 238.335 1.062 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nccc(C)n2)C1 ZINC000347452232 386410203 /nfs/dbraw/zinc/41/02/03/386410203.db2.gz MGEFZQGINVNFPJ-UHFFFAOYSA-N 1 2 235.331 1.784 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nccc(C)n2)C1 ZINC000347452232 386410207 /nfs/dbraw/zinc/41/02/07/386410207.db2.gz MGEFZQGINVNFPJ-UHFFFAOYSA-N 1 2 235.331 1.784 20 0 BDADLO CC[N@H+](CCc1ccccc1F)CC(=O)OC ZINC000299415063 386453030 /nfs/dbraw/zinc/45/30/30/386453030.db2.gz LWEPBPVHADQBOL-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO CC[N@@H+](CCc1ccccc1F)CC(=O)OC ZINC000299415063 386453036 /nfs/dbraw/zinc/45/30/36/386453036.db2.gz LWEPBPVHADQBOL-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000290345120 386421828 /nfs/dbraw/zinc/42/18/28/386421828.db2.gz FAAJDKTWUNYABH-NWDGAFQWSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000290345120 386421833 /nfs/dbraw/zinc/42/18/33/386421833.db2.gz FAAJDKTWUNYABH-NWDGAFQWSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000290345120 386421838 /nfs/dbraw/zinc/42/18/38/386421838.db2.gz FAAJDKTWUNYABH-NWDGAFQWSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000290345120 386421845 /nfs/dbraw/zinc/42/18/45/386421845.db2.gz FAAJDKTWUNYABH-NWDGAFQWSA-N 1 2 221.304 1.471 20 0 BDADLO CC(C)n1cc[nH+]c1CN(C)Cc1cc[nH]n1 ZINC000336713386 386429703 /nfs/dbraw/zinc/42/97/03/386429703.db2.gz SKLIYPYTRNEEQK-UHFFFAOYSA-N 1 2 233.319 1.819 20 0 BDADLO Nc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)c[nH+]1 ZINC000238018314 386432391 /nfs/dbraw/zinc/43/23/91/386432391.db2.gz GLCHVOIIMAARLM-UHFFFAOYSA-N 1 2 243.270 1.517 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1ncc(C)cn1 ZINC000336717112 386435463 /nfs/dbraw/zinc/43/54/63/386435463.db2.gz XTYOKFBQJLMHTJ-SNVBAGLBSA-N 1 2 209.293 1.252 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1ncc(C)cn1 ZINC000336717112 386435467 /nfs/dbraw/zinc/43/54/67/386435467.db2.gz XTYOKFBQJLMHTJ-SNVBAGLBSA-N 1 2 209.293 1.252 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1ccccn1 ZINC000290449011 386435659 /nfs/dbraw/zinc/43/56/59/386435659.db2.gz SSRUEOHZLQYLSJ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1ccccn1 ZINC000290449011 386435661 /nfs/dbraw/zinc/43/56/61/386435661.db2.gz SSRUEOHZLQYLSJ-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1nsc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000266449553 386436778 /nfs/dbraw/zinc/43/67/78/386436778.db2.gz XBWKNZCKQNHFSC-UHFFFAOYSA-N 1 2 249.343 1.885 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)nc1C ZINC000299530591 386466123 /nfs/dbraw/zinc/46/61/23/386466123.db2.gz DQHWXTIQTATMKM-UHFFFAOYSA-N 1 2 244.298 1.325 20 0 BDADLO CC1(C)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000299566875 386467115 /nfs/dbraw/zinc/46/71/15/386467115.db2.gz AZBOKZZNCUVMNZ-VIFPVBQESA-N 1 2 207.277 1.188 20 0 BDADLO CCC[C@H](CC)NC(=O)CCn1cc[nH+]c1 ZINC000299567006 386467334 /nfs/dbraw/zinc/46/73/34/386467334.db2.gz BCGKHKJWKOQXDN-NSHDSACASA-N 1 2 223.320 1.968 20 0 BDADLO c1cn(Cc2nnc3n2CCCCC3)c[nH+]1 ZINC000299577390 386468406 /nfs/dbraw/zinc/46/84/06/386468406.db2.gz IHJFAKGELBYNQR-UHFFFAOYSA-N 1 2 217.276 1.249 20 0 BDADLO CC1(O)C[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000639254363 386469601 /nfs/dbraw/zinc/46/96/01/386469601.db2.gz QLXMEKCURPZMGZ-UHFFFAOYSA-N 1 2 243.310 1.643 20 0 BDADLO CC(C)c1noc(N2CCn3c[nH+]cc3C2)n1 ZINC000290717544 386470685 /nfs/dbraw/zinc/47/06/85/386470685.db2.gz OZZGJLLFNKJENV-UHFFFAOYSA-N 1 2 233.275 1.410 20 0 BDADLO COCCc1noc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339574749 386473418 /nfs/dbraw/zinc/47/34/18/386473418.db2.gz RRQZFYRSCRGBOT-IUCAKERBSA-N 1 2 225.292 1.099 20 0 BDADLO COCCc1noc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339574749 386473424 /nfs/dbraw/zinc/47/34/24/386473424.db2.gz RRQZFYRSCRGBOT-IUCAKERBSA-N 1 2 225.292 1.099 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000335425556 386477135 /nfs/dbraw/zinc/47/71/35/386477135.db2.gz WHTACLNTGZJFEU-GFCCVEGCSA-N 1 2 239.340 1.988 20 0 BDADLO c1coc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000335425556 386477136 /nfs/dbraw/zinc/47/71/36/386477136.db2.gz WHTACLNTGZJFEU-GFCCVEGCSA-N 1 2 239.340 1.988 20 0 BDADLO CC[C@@H](C)[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290859971 386480399 /nfs/dbraw/zinc/48/03/99/386480399.db2.gz BLTVNLDUGRPMPL-MNOVXSKESA-N 1 2 235.331 1.908 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cccnc2)[nH]1 ZINC000336778986 386481741 /nfs/dbraw/zinc/48/17/41/386481741.db2.gz MXBGIFBUJXVWJX-MRVPVSSYSA-N 1 2 217.276 1.359 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccn(C(C)C)n1 ZINC000266939127 386482074 /nfs/dbraw/zinc/48/20/74/386482074.db2.gz ATGCZTSZSQXBIC-UHFFFAOYSA-N 1 2 247.302 1.426 20 0 BDADLO CC(C)(C)OCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290886050 386483952 /nfs/dbraw/zinc/48/39/52/386483952.db2.gz FHGMREFRUISTPN-UHFFFAOYSA-N 1 2 237.303 1.040 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000291260245 386529186 /nfs/dbraw/zinc/52/91/86/386529186.db2.gz OPDUIRYJHVXEOJ-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000291260245 386529194 /nfs/dbraw/zinc/52/91/94/386529194.db2.gz OPDUIRYJHVXEOJ-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO Cc1cncc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000290950596 386491208 /nfs/dbraw/zinc/49/12/08/386491208.db2.gz PVWZEQFRIXJDGN-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000519558559 386492384 /nfs/dbraw/zinc/49/23/84/386492384.db2.gz UUKKZDUKBXEVNE-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO CCC(CC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000519558559 386492387 /nfs/dbraw/zinc/49/23/87/386492387.db2.gz UUKKZDUKBXEVNE-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)on1 ZINC000335435105 386494318 /nfs/dbraw/zinc/49/43/18/386494318.db2.gz QFLJWRXPCPYHEX-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)on1 ZINC000335435105 386494324 /nfs/dbraw/zinc/49/43/24/386494324.db2.gz QFLJWRXPCPYHEX-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1cc(N2CCO[C@]3(CCCOC3)C2)nc[nH+]1 ZINC000343227734 386495127 /nfs/dbraw/zinc/49/51/27/386495127.db2.gz VPOABALPEOSPDV-CYBMUJFWSA-N 1 2 249.314 1.171 20 0 BDADLO CC(C)n1c[nH+]cc1CN=c1nc[nH]n1C(C)C ZINC000519595438 386496924 /nfs/dbraw/zinc/49/69/24/386496924.db2.gz IJBRTKCOEBWZLQ-UHFFFAOYSA-N 1 2 248.334 1.670 20 0 BDADLO c1cnc(C[N@@H+]2CCOC[C@H]2C2CCC2)nc1 ZINC000519597194 386499408 /nfs/dbraw/zinc/49/94/08/386499408.db2.gz FNLRXJYMJHFSNI-LBPRGKRZSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CCOC[C@H]2C2CCC2)nc1 ZINC000519597194 386499413 /nfs/dbraw/zinc/49/94/13/386499413.db2.gz FNLRXJYMJHFSNI-LBPRGKRZSA-N 1 2 233.315 1.478 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC)[C@H]1SC ZINC000336776222 386502191 /nfs/dbraw/zinc/50/21/91/386502191.db2.gz FDZKRBWLMMBIOO-AXTSPUMRSA-N 1 2 247.360 1.047 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](F)C1 ZINC000519606269 386502932 /nfs/dbraw/zinc/50/29/32/386502932.db2.gz OOICKHOOZZBMMQ-VIFPVBQESA-N 1 2 240.282 1.064 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=CC(C)(C)C ZINC000267170655 386504041 /nfs/dbraw/zinc/50/40/41/386504041.db2.gz IKIGSTYXWOYHKT-AATRIKPKSA-N 1 2 221.304 1.937 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335444021 386507532 /nfs/dbraw/zinc/50/75/32/386507532.db2.gz PMAKFGRHDJYSIB-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335444021 386507545 /nfs/dbraw/zinc/50/75/45/386507545.db2.gz PMAKFGRHDJYSIB-PWSUYJOCSA-N 1 2 221.304 1.329 20 0 BDADLO CCC1(C)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000291086767 386510816 /nfs/dbraw/zinc/51/08/16/386510816.db2.gz PFHAEYMAIIQVAG-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CO[C@@H](C)C1 ZINC000335448104 386516507 /nfs/dbraw/zinc/51/65/07/386516507.db2.gz STONSIMCOWJJOP-GXSJLCMTSA-N 1 2 249.314 1.997 20 0 BDADLO CC(C)CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339681808 386521025 /nfs/dbraw/zinc/52/10/25/386521025.db2.gz ZYTRPZXTRUAOTD-GFCCVEGCSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCn2nncc2C1 ZINC000519645670 386522952 /nfs/dbraw/zinc/52/29/52/386522952.db2.gz KJFJMNOWGQNTFP-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCn2nncc2C1 ZINC000519645670 386522959 /nfs/dbraw/zinc/52/29/59/386522959.db2.gz KJFJMNOWGQNTFP-JTQLQIEISA-N 1 2 229.287 1.250 20 0 BDADLO Cn1ncc2c1nc(N[C@H]1CC1(C)C)[nH+]c2N ZINC000278415537 386523748 /nfs/dbraw/zinc/52/37/48/386523748.db2.gz OFBGNKJFTFGXHE-ZETCQYMHSA-N 1 2 232.291 1.156 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C)nc2C)nn1C ZINC000347572661 386455509 /nfs/dbraw/zinc/45/55/09/386455509.db2.gz YHYMQVWETUHATN-SNVBAGLBSA-N 1 2 247.346 1.621 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277685014 386459587 /nfs/dbraw/zinc/45/95/87/386459587.db2.gz QMLHRRNDAPQBNE-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277685014 386459590 /nfs/dbraw/zinc/45/95/90/386459590.db2.gz QMLHRRNDAPQBNE-BZNIZROVSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277777350 386465703 /nfs/dbraw/zinc/46/57/03/386465703.db2.gz WMECHQFTRFODCK-ABKXIKBNSA-N 1 2 241.360 1.061 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277777350 386465709 /nfs/dbraw/zinc/46/57/09/386465709.db2.gz WMECHQFTRFODCK-ABKXIKBNSA-N 1 2 241.360 1.061 20 0 BDADLO COCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187681443 386574818 /nfs/dbraw/zinc/57/48/18/386574818.db2.gz FDULTJXHBMKMSL-LBPRGKRZSA-N 1 2 249.289 1.874 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](n3cccn3)C2)s1 ZINC000291730277 386576319 /nfs/dbraw/zinc/57/63/19/386576319.db2.gz JMQUGMMLHRDSKH-JTQLQIEISA-N 1 2 249.343 1.490 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](n3cccn3)C2)s1 ZINC000291730277 386576323 /nfs/dbraw/zinc/57/63/23/386576323.db2.gz JMQUGMMLHRDSKH-JTQLQIEISA-N 1 2 249.343 1.490 20 0 BDADLO CCC[C@H](O)C[N@H+](C)Cc1nccn1C ZINC000062256318 386576668 /nfs/dbraw/zinc/57/66/68/386576668.db2.gz ZOVYRLZIIJHQTD-JTQLQIEISA-N 1 2 211.309 1.013 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)Cc1nccn1C ZINC000062256318 386576672 /nfs/dbraw/zinc/57/66/72/386576672.db2.gz ZOVYRLZIIJHQTD-JTQLQIEISA-N 1 2 211.309 1.013 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1C ZINC000267744597 386577761 /nfs/dbraw/zinc/57/77/61/386577761.db2.gz XEICJWTZIOLXTE-GHMZBOCLSA-N 1 2 236.319 1.466 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000267727461 386579124 /nfs/dbraw/zinc/57/91/24/386579124.db2.gz ZPPXRESLKSYZAF-QMMMGPOBSA-N 1 2 231.246 1.499 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000267727461 386579127 /nfs/dbraw/zinc/57/91/27/386579127.db2.gz ZPPXRESLKSYZAF-QMMMGPOBSA-N 1 2 231.246 1.499 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2CC2)C1 ZINC000335418774 386587711 /nfs/dbraw/zinc/58/77/11/386587711.db2.gz VLOHJBXLGRIRET-LLVKDONJSA-N 1 2 248.330 1.329 20 0 BDADLO C[C@]1(CO)CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000519711091 386541363 /nfs/dbraw/zinc/54/13/63/386541363.db2.gz ZCBRYJLFZMLDGT-SNVBAGLBSA-N 1 2 247.245 1.354 20 0 BDADLO C[C@]1(CO)CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000519711091 386541370 /nfs/dbraw/zinc/54/13/70/386541370.db2.gz ZCBRYJLFZMLDGT-SNVBAGLBSA-N 1 2 247.245 1.354 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335461017 386542238 /nfs/dbraw/zinc/54/22/38/386542238.db2.gz DDXWNVDQMCEIMN-VHSXEESVSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335461017 386542241 /nfs/dbraw/zinc/54/22/41/386542241.db2.gz DDXWNVDQMCEIMN-VHSXEESVSA-N 1 2 227.304 1.191 20 0 BDADLO CNC(=O)CN(C)c1[nH+]ccc2c(C)cccc21 ZINC000335462198 386545853 /nfs/dbraw/zinc/54/58/53/386545853.db2.gz PCYCKQDCWHBNCA-UHFFFAOYSA-N 1 2 243.310 1.725 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000061709152 386546303 /nfs/dbraw/zinc/54/63/03/386546303.db2.gz IHFADVQPKSNMMO-SNVBAGLBSA-N 1 2 226.345 1.662 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000061709152 386546311 /nfs/dbraw/zinc/54/63/11/386546311.db2.gz IHFADVQPKSNMMO-SNVBAGLBSA-N 1 2 226.345 1.662 20 0 BDADLO CC(=O)NC1C[NH+](Cc2cccc(F)c2)C1 ZINC000291486189 386551412 /nfs/dbraw/zinc/55/14/12/386551412.db2.gz RVQYRVHHGOXZNV-UHFFFAOYSA-N 1 2 222.263 1.146 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCS[C@H](C)C1 ZINC000519803903 386553852 /nfs/dbraw/zinc/55/38/52/386553852.db2.gz YERACMNBGJAABU-BDAKNGLRSA-N 1 2 238.360 1.387 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1CCS[C@H](C)C1 ZINC000519803903 386553859 /nfs/dbraw/zinc/55/38/59/386553859.db2.gz YERACMNBGJAABU-BDAKNGLRSA-N 1 2 238.360 1.387 20 0 BDADLO Cc1ocnc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000278616291 386554632 /nfs/dbraw/zinc/55/46/32/386554632.db2.gz MEQLVVMZPREBQD-VIFPVBQESA-N 1 2 248.286 1.833 20 0 BDADLO C[C@H](C[S@@](C)=O)N(C)c1cccc[nH+]1 ZINC000278857183 386597605 /nfs/dbraw/zinc/59/76/05/386597605.db2.gz XZIUWIGUGUKYPQ-YMTOWFKASA-N 1 2 212.318 1.285 20 0 BDADLO O=C(/C=C/C1CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267620649 386562468 /nfs/dbraw/zinc/56/24/68/386562468.db2.gz MNCBEANIKPNJIO-URWSZGRFSA-N 1 2 245.326 1.840 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccccn2)C1 ZINC000267613693 386562905 /nfs/dbraw/zinc/56/29/05/386562905.db2.gz BVJSKTJNHLAWRO-GFCCVEGCSA-N 1 2 238.262 1.169 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccccn2)C1 ZINC000267613693 386562909 /nfs/dbraw/zinc/56/29/09/386562909.db2.gz BVJSKTJNHLAWRO-GFCCVEGCSA-N 1 2 238.262 1.169 20 0 BDADLO COc1cccc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC000335406877 386566979 /nfs/dbraw/zinc/56/69/79/386566979.db2.gz QKINKFDEIXGDNE-SECBINFHSA-N 1 2 210.252 1.634 20 0 BDADLO COc1cccc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC000335406877 386566982 /nfs/dbraw/zinc/56/69/82/386566982.db2.gz QKINKFDEIXGDNE-SECBINFHSA-N 1 2 210.252 1.634 20 0 BDADLO CC(C)n1cc(CN2CCn3c[nH+]cc3C2)nn1 ZINC000291697303 386571000 /nfs/dbraw/zinc/57/10/00/386571000.db2.gz YPQDOIMQAZQBPG-UHFFFAOYSA-N 1 2 246.318 1.071 20 0 BDADLO COC[C@@H]([NH2+]Cc1ncc(C)o1)[C@@H]1CCCO1 ZINC000279019736 386622147 /nfs/dbraw/zinc/62/21/47/386622147.db2.gz GNHGFCXPUIXIJX-MNOVXSKESA-N 1 2 240.303 1.267 20 0 BDADLO CCCn1ncnc1C[N@H+]1CC=C(C)CC1 ZINC000279072706 386628394 /nfs/dbraw/zinc/62/83/94/386628394.db2.gz KIHQQGTYQCVHFF-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CC=C(C)CC1 ZINC000279072706 386628400 /nfs/dbraw/zinc/62/84/00/386628400.db2.gz KIHQQGTYQCVHFF-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CO[C@@H](C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000644931267 386628930 /nfs/dbraw/zinc/62/89/30/386628930.db2.gz KHGMYVNSPJGOFY-UWVGGRQHSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@@H](C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000644931267 386628933 /nfs/dbraw/zinc/62/89/33/386628933.db2.gz KHGMYVNSPJGOFY-UWVGGRQHSA-N 1 2 235.274 1.113 20 0 BDADLO O=c1ccccn1CC[N@@H+]1Cc2cccnc2C1 ZINC000644933258 386629866 /nfs/dbraw/zinc/62/98/66/386629866.db2.gz FFWKDQAQBMDXPP-UHFFFAOYSA-N 1 2 241.294 1.259 20 0 BDADLO O=c1ccccn1CC[N@H+]1Cc2cccnc2C1 ZINC000644933258 386629871 /nfs/dbraw/zinc/62/98/71/386629871.db2.gz FFWKDQAQBMDXPP-UHFFFAOYSA-N 1 2 241.294 1.259 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H](CF)C2)cn1 ZINC000414466690 386630264 /nfs/dbraw/zinc/63/02/64/386630264.db2.gz BTEWKBFHPDGHTP-LLVKDONJSA-N 1 2 225.267 1.154 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H](CF)C2)cn1 ZINC000414466690 386630271 /nfs/dbraw/zinc/63/02/71/386630271.db2.gz BTEWKBFHPDGHTP-LLVKDONJSA-N 1 2 225.267 1.154 20 0 BDADLO COCc1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000279099695 386631616 /nfs/dbraw/zinc/63/16/16/386631616.db2.gz VEFFDLPLKVBYQO-LBPRGKRZSA-N 1 2 247.298 1.867 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](CF)C2)n1 ZINC000414468570 386632749 /nfs/dbraw/zinc/63/27/49/386632749.db2.gz GQMKRNUVESADHT-JTQLQIEISA-N 1 2 240.278 1.266 20 0 BDADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000336782350 386635204 /nfs/dbraw/zinc/63/52/04/386635204.db2.gz XIUTUMKRBKNJQK-VIFPVBQESA-N 1 2 225.292 1.194 20 0 BDADLO CC(C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000335505797 386637094 /nfs/dbraw/zinc/63/70/94/386637094.db2.gz SOTOZWNPNGKNHV-SNVBAGLBSA-N 1 2 228.242 1.489 20 0 BDADLO C[C@H]1CSCC[N@@H+]1CN1CC(C)(C)OC1=O ZINC000179381386 386637730 /nfs/dbraw/zinc/63/77/30/386637730.db2.gz GAKVQQIUAHXSNA-VIFPVBQESA-N 1 2 244.360 1.612 20 0 BDADLO C[C@H]1CSCC[N@H+]1CN1CC(C)(C)OC1=O ZINC000179381386 386637735 /nfs/dbraw/zinc/63/77/35/386637735.db2.gz GAKVQQIUAHXSNA-VIFPVBQESA-N 1 2 244.360 1.612 20 0 BDADLO Cn1cc(Br)c(C[NH+]2CCCC2)n1 ZINC000292753629 386642779 /nfs/dbraw/zinc/64/27/79/386642779.db2.gz WZQUZZYOEMFORO-UHFFFAOYSA-N 1 2 244.136 1.778 20 0 BDADLO CS[C@@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000339799791 386644312 /nfs/dbraw/zinc/64/43/12/386644312.db2.gz WSYGVOOCEVPCRZ-QMMMGPOBSA-N 1 2 227.333 1.510 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@H](F)C2)c[nH+]1 ZINC000335518696 386654006 /nfs/dbraw/zinc/65/40/06/386654006.db2.gz DEMJFCXKWPQFRH-IUCAKERBSA-N 1 2 225.267 1.729 20 0 BDADLO COC(=O)c1ccc(CNc2cc(C)[nH+]cn2)o1 ZINC000301248167 386654385 /nfs/dbraw/zinc/65/43/85/386654385.db2.gz CERCHZBIXIGGLU-UHFFFAOYSA-N 1 2 247.254 1.777 20 0 BDADLO COC(=O)C[N@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000278876602 386600903 /nfs/dbraw/zinc/60/09/03/386600903.db2.gz NPTPEWVHFDKELE-LLVKDONJSA-N 1 2 225.288 1.317 20 0 BDADLO COC(=O)C[N@@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000278876602 386600906 /nfs/dbraw/zinc/60/09/06/386600906.db2.gz NPTPEWVHFDKELE-LLVKDONJSA-N 1 2 225.288 1.317 20 0 BDADLO CN(CC1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279243671 386654810 /nfs/dbraw/zinc/65/48/10/386654810.db2.gz SARIJUNVXDYFFW-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1nc(C[N@H+](C)CC2CC(F)(F)C2)no1 ZINC000450689695 386604354 /nfs/dbraw/zinc/60/43/54/386604354.db2.gz FNGCEVNGFBAZQO-UHFFFAOYSA-N 1 2 231.246 1.855 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2CC(F)(F)C2)no1 ZINC000450689695 386604358 /nfs/dbraw/zinc/60/43/58/386604358.db2.gz FNGCEVNGFBAZQO-UHFFFAOYSA-N 1 2 231.246 1.855 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000280619759 386608811 /nfs/dbraw/zinc/60/88/11/386608811.db2.gz PJQDGZLHEZTIBD-NWDGAFQWSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000280619759 386608825 /nfs/dbraw/zinc/60/88/25/386608825.db2.gz PJQDGZLHEZTIBD-NWDGAFQWSA-N 1 2 249.314 1.122 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](F)C1 ZINC000335493890 386614720 /nfs/dbraw/zinc/61/47/20/386614720.db2.gz ZJJQAVMJBWGOBR-VHSXEESVSA-N 1 2 237.278 1.016 20 0 BDADLO Cn1cncc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339777503 386615682 /nfs/dbraw/zinc/61/56/82/386615682.db2.gz PKKMFRHLFMEWNG-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1cncc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339777503 386615689 /nfs/dbraw/zinc/61/56/89/386615689.db2.gz PKKMFRHLFMEWNG-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@H]1CC1CCC1 ZINC000339777503 386615697 /nfs/dbraw/zinc/61/56/97/386615697.db2.gz PKKMFRHLFMEWNG-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nn(C)cc1Cl ZINC000335494529 386615691 /nfs/dbraw/zinc/61/56/91/386615691.db2.gz KMNKOSQRPJGTNH-HTQZYQBOSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nn(C)cc1Cl ZINC000335494529 386615700 /nfs/dbraw/zinc/61/57/00/386615700.db2.gz KMNKOSQRPJGTNH-HTQZYQBOSA-N 1 2 229.711 1.029 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(C)(C)O1 ZINC000278980361 386615982 /nfs/dbraw/zinc/61/59/82/386615982.db2.gz DMZRBJRWNAFPES-JTQLQIEISA-N 1 2 237.303 1.292 20 0 BDADLO Cc1ccoc1C[N@@H+](C)Cc1cnnn1C ZINC000292382438 386660146 /nfs/dbraw/zinc/66/01/46/386660146.db2.gz RSNRODXFIRIIAC-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1ccoc1C[N@H+](C)Cc1cnnn1C ZINC000292382438 386660150 /nfs/dbraw/zinc/66/01/50/386660150.db2.gz RSNRODXFIRIIAC-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO CC(C)c1noc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428119544 386660890 /nfs/dbraw/zinc/66/08/90/386660890.db2.gz DDVQQHYPUOSWAM-UHFFFAOYSA-N 1 2 221.264 1.553 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@H]1CCOC1=O ZINC000292394728 386661491 /nfs/dbraw/zinc/66/14/91/386661491.db2.gz SPKFROCMFKAENO-VIFPVBQESA-N 1 2 209.245 1.335 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@H]1CCOC1=O ZINC000292394728 386661497 /nfs/dbraw/zinc/66/14/97/386661497.db2.gz SPKFROCMFKAENO-VIFPVBQESA-N 1 2 209.245 1.335 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000335521641 386662507 /nfs/dbraw/zinc/66/25/07/386662507.db2.gz BGWMZQGYKNZQMX-GWCFXTLKSA-N 1 2 216.284 1.941 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000520399910 386667172 /nfs/dbraw/zinc/66/71/72/386667172.db2.gz GRERZLSVAIXJRK-WDEREUQCSA-N 1 2 248.330 1.408 20 0 BDADLO CC(C)C[C@@H](C)C[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000337206653 386667744 /nfs/dbraw/zinc/66/77/44/386667744.db2.gz MYRWWHHXZFJITK-SNVBAGLBSA-N 1 2 238.335 1.482 20 0 BDADLO CC(C)C[C@@H](C)C[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000337206653 386667752 /nfs/dbraw/zinc/66/77/52/386667752.db2.gz MYRWWHHXZFJITK-SNVBAGLBSA-N 1 2 238.335 1.482 20 0 BDADLO CC(C)C[C@@H](C)C[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000337206653 386667758 /nfs/dbraw/zinc/66/77/58/386667758.db2.gz MYRWWHHXZFJITK-SNVBAGLBSA-N 1 2 238.335 1.482 20 0 BDADLO CC(C)C[C@@H](C)C[N@H+]1CCN2C(=O)N=NC2C1 ZINC000337206653 386667761 /nfs/dbraw/zinc/66/77/61/386667761.db2.gz MYRWWHHXZFJITK-SNVBAGLBSA-N 1 2 238.335 1.482 20 0 BDADLO [NH3+][C@H](C(=O)N[C@H]1C=CCCC1)c1cscn1 ZINC000335526953 386670207 /nfs/dbraw/zinc/67/02/07/386670207.db2.gz AVXXVJRJKGPLHY-WPRPVWTQSA-N 1 2 237.328 1.368 20 0 BDADLO C[N@H+](CCO)Cc1ncc(C(F)(F)F)s1 ZINC000279378957 386672711 /nfs/dbraw/zinc/67/27/11/386672711.db2.gz JWODQCJRFPKYOW-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO C[N@@H+](CCO)Cc1ncc(C(F)(F)F)s1 ZINC000279378957 386672718 /nfs/dbraw/zinc/67/27/18/386672718.db2.gz JWODQCJRFPKYOW-UHFFFAOYSA-N 1 2 240.250 1.586 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279381856 386673332 /nfs/dbraw/zinc/67/33/32/386673332.db2.gz HYIDICZHLVZOEY-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO Cc1cc(C(=O)Nc2c(C)cc[nH+]c2C)nn1C ZINC000335529521 386676235 /nfs/dbraw/zinc/67/62/35/386676235.db2.gz IGYIHFHLJDRMKU-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1ccc2[nH+]c(CNc3ncn(C)n3)cn2c1 ZINC000292469898 386677518 /nfs/dbraw/zinc/67/75/18/386677518.db2.gz PWCRISPBDAQORP-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO C[C@@H](N(C)C(=O)CCc1[nH]cc[nH+]1)C1(C)CC1 ZINC000279416172 386680747 /nfs/dbraw/zinc/68/07/47/386680747.db2.gz KXEBJPUVOFTKOR-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000414473357 386656777 /nfs/dbraw/zinc/65/67/77/386656777.db2.gz QINMCPYNOXFDEN-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000414473357 386656786 /nfs/dbraw/zinc/65/67/86/386656786.db2.gz QINMCPYNOXFDEN-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000268521936 386658528 /nfs/dbraw/zinc/65/85/28/386658528.db2.gz WXTZOHNWDBVINS-UHFFFAOYSA-N 1 2 232.291 1.457 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1CCCC1 ZINC000279283565 386658939 /nfs/dbraw/zinc/65/89/39/386658939.db2.gz XURSFLIMYPBZAJ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC(=O)N[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000335532572 386684017 /nfs/dbraw/zinc/68/40/17/386684017.db2.gz WGPULFRUTYQXEF-SECBINFHSA-N 1 2 235.287 1.162 20 0 BDADLO CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000292524218 386684208 /nfs/dbraw/zinc/68/42/08/386684208.db2.gz WMQBVPZXOVZWAX-UWVGGRQHSA-N 1 2 237.303 1.794 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@]2(C)CO)n1 ZINC000520561037 386695856 /nfs/dbraw/zinc/69/58/56/386695856.db2.gz LGANTGLQUHWYQB-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@H+]2CCC[C@@]2(C)CO)n1 ZINC000520561037 386695863 /nfs/dbraw/zinc/69/58/63/386695863.db2.gz LGANTGLQUHWYQB-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000526931636 386696387 /nfs/dbraw/zinc/69/63/87/386696387.db2.gz NPPOYJZYJJOPNE-GMTAPVOTSA-N 1 2 233.315 1.455 20 0 BDADLO Cc1cc(NC[C@@]2(O)CCCC2(C)C)nc[nH+]1 ZINC000645045689 386697153 /nfs/dbraw/zinc/69/71/53/386697153.db2.gz LZCGVFJSKJZKJT-ZDUSSCGKSA-N 1 2 235.331 1.560 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335475538 386698875 /nfs/dbraw/zinc/69/88/75/386698875.db2.gz KTVBKVORJOATKA-CBAPKCEASA-N 1 2 225.317 1.011 20 0 BDADLO CC[C@@H]([NH2+]CCCC(=O)OC(C)C)C(=O)OC ZINC000192864797 386703631 /nfs/dbraw/zinc/70/36/31/386703631.db2.gz XIJQGKOMXGKQDB-SNVBAGLBSA-N 1 2 245.319 1.259 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCC[C@@H]1O ZINC000520610445 386708768 /nfs/dbraw/zinc/70/87/68/386708768.db2.gz XXTAJQAFVDXVAE-MNOVXSKESA-N 1 2 221.304 1.088 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccn(C)c1 ZINC000268982454 386731876 /nfs/dbraw/zinc/73/18/76/386731876.db2.gz JXDFBUKSPCKRGX-UHFFFAOYSA-N 1 2 246.314 1.384 20 0 BDADLO CC(C)[C@@H](Sc1[nH+]cc2ccccn21)C(N)=O ZINC000357169943 386732290 /nfs/dbraw/zinc/73/22/90/386732290.db2.gz GTWIPWDOKNKVJN-SNVBAGLBSA-N 1 2 249.339 1.936 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)NC1CCC1 ZINC000269003068 386734228 /nfs/dbraw/zinc/73/42/28/386734228.db2.gz IKIJGSVQIRCREG-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000647961633 386734330 /nfs/dbraw/zinc/73/43/30/386734330.db2.gz VLLLXGJKYCQWJE-CYBMUJFWSA-N 1 2 242.326 1.837 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000647961633 386734337 /nfs/dbraw/zinc/73/43/37/386734337.db2.gz VLLLXGJKYCQWJE-CYBMUJFWSA-N 1 2 242.326 1.837 20 0 BDADLO CSc1cc(CNc2cc[nH+]c(C)n2)ccn1 ZINC000357201723 386736482 /nfs/dbraw/zinc/73/64/82/386736482.db2.gz IVDDBEXQLILLTI-UHFFFAOYSA-N 1 2 246.339 1.936 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000292859313 386738569 /nfs/dbraw/zinc/73/85/69/386738569.db2.gz VCZPHUPDKXZBPM-KWQFWETISA-N 1 2 209.293 1.063 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292859313 386738572 /nfs/dbraw/zinc/73/85/72/386738572.db2.gz VCZPHUPDKXZBPM-KWQFWETISA-N 1 2 209.293 1.063 20 0 BDADLO CC(C)C[C@H](C)CNCC(F)(F)C[NH3+] ZINC000414928821 386724241 /nfs/dbraw/zinc/72/42/41/386724241.db2.gz NFXJRLQIDPVHEX-VIFPVBQESA-N 1 2 208.296 1.852 20 0 BDADLO CCC[N@H+](CC(=O)OC)CC1(F)CC1 ZINC000526988126 386725050 /nfs/dbraw/zinc/72/50/50/386725050.db2.gz IQVPFWXPPSYVNJ-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO CCC[N@@H+](CC(=O)OC)CC1(F)CC1 ZINC000526988126 386725055 /nfs/dbraw/zinc/72/50/55/386725055.db2.gz IQVPFWXPPSYVNJ-UHFFFAOYSA-N 1 2 203.257 1.374 20 0 BDADLO Cn1ccc(CNC(=O)CCc2c[nH+]cn2C)c1 ZINC000279726374 386727348 /nfs/dbraw/zinc/72/73/48/386727348.db2.gz CDUNYYPLASBNAP-UHFFFAOYSA-N 1 2 246.314 1.008 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@@H](CO)c2ccccc21 ZINC000292806191 386729740 /nfs/dbraw/zinc/72/97/40/386729740.db2.gz WVGYMBNCKBEVCB-NSHDSACASA-N 1 2 243.310 1.516 20 0 BDADLO C[C@@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)C1CC1 ZINC000357257907 386747552 /nfs/dbraw/zinc/74/75/52/386747552.db2.gz UAIOBJTVZHOUKC-SNVBAGLBSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)C1CC1 ZINC000357257904 386747923 /nfs/dbraw/zinc/74/79/23/386747923.db2.gz UAIOBJTVZHOUKC-JTQLQIEISA-N 1 2 247.342 1.810 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2cc(C)ccn2)[N@H+](C)C1 ZINC000330517899 386748054 /nfs/dbraw/zinc/74/80/54/386748054.db2.gz FVXQHKTXYHAKOB-QWRGUYRKSA-N 1 2 249.314 1.048 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2cc(C)ccn2)[N@@H+](C)C1 ZINC000330517899 386748064 /nfs/dbraw/zinc/74/80/64/386748064.db2.gz FVXQHKTXYHAKOB-QWRGUYRKSA-N 1 2 249.314 1.048 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516203 386748937 /nfs/dbraw/zinc/74/89/37/386748937.db2.gz FOJSBPRZBNRZRJ-CIUDSAMLSA-N 1 2 218.272 1.359 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000330516203 386748942 /nfs/dbraw/zinc/74/89/42/386748942.db2.gz FOJSBPRZBNRZRJ-CIUDSAMLSA-N 1 2 218.272 1.359 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CC[C@@H](O)C1 ZINC000279976166 386764047 /nfs/dbraw/zinc/76/40/47/386764047.db2.gz JKKMKUZRAUVFSE-NXEZZACHSA-N 1 2 241.312 1.029 20 0 BDADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CC[C@@H](O)C1 ZINC000279976166 386764052 /nfs/dbraw/zinc/76/40/52/386764052.db2.gz JKKMKUZRAUVFSE-NXEZZACHSA-N 1 2 241.312 1.029 20 0 BDADLO C[N@H+](CCCO)Cc1ncc(Cl)s1 ZINC000336665348 386767691 /nfs/dbraw/zinc/76/76/91/386767691.db2.gz XXJQQNIUMRUKDB-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO C[N@@H+](CCCO)Cc1ncc(Cl)s1 ZINC000336665348 386767699 /nfs/dbraw/zinc/76/76/99/386767699.db2.gz XXJQQNIUMRUKDB-UHFFFAOYSA-N 1 2 220.725 1.611 20 0 BDADLO COC[C@@H]([NH2+]Cc1nnc(C)[nH]1)c1ccccc1 ZINC000293223065 386768348 /nfs/dbraw/zinc/76/83/48/386768348.db2.gz PYNHTNBIGNRFJZ-GFCCVEGCSA-N 1 2 246.314 1.590 20 0 BDADLO CCc1cccc(C[NH+]2CCS(=O)CC2)c1 ZINC000334141840 386740918 /nfs/dbraw/zinc/74/09/18/386740918.db2.gz KEMPSDWNIJYZIK-UHFFFAOYSA-N 1 2 237.368 1.813 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000269048168 386742441 /nfs/dbraw/zinc/74/24/41/386742441.db2.gz MVADNLULKNOGCD-JTQLQIEISA-N 1 2 249.314 1.550 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NCC(C)C ZINC000340866915 386792078 /nfs/dbraw/zinc/79/20/78/386792078.db2.gz GWLAQPAVOCXZPG-CYBMUJFWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NCC(C)C ZINC000340866915 386792081 /nfs/dbraw/zinc/79/20/81/386792081.db2.gz GWLAQPAVOCXZPG-CYBMUJFWSA-N 1 2 242.363 1.260 20 0 BDADLO OC[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000639397162 386792967 /nfs/dbraw/zinc/79/29/67/386792967.db2.gz JIUALZJXEFYPGB-MRVPVSSYSA-N 1 2 247.747 1.843 20 0 BDADLO OC[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)o1 ZINC000639397162 386792976 /nfs/dbraw/zinc/79/29/76/386792976.db2.gz JIUALZJXEFYPGB-MRVPVSSYSA-N 1 2 247.747 1.843 20 0 BDADLO Cc1cc(C)n2c(C[N@H+](C)CC(N)=O)cnc2n1 ZINC000330563564 386771823 /nfs/dbraw/zinc/77/18/23/386771823.db2.gz DNPWNWBOOHAWHC-UHFFFAOYSA-N 1 2 247.302 1.313 20 0 BDADLO Cc1cc(C)n2c(C[N@@H+](C)CC(N)=O)cnc2n1 ZINC000330563564 386771825 /nfs/dbraw/zinc/77/18/25/386771825.db2.gz DNPWNWBOOHAWHC-UHFFFAOYSA-N 1 2 247.302 1.313 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000125333439 386796217 /nfs/dbraw/zinc/79/62/17/386796217.db2.gz DDGSJFVECKYVHL-IUCAKERBSA-N 1 2 223.276 1.014 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH+]1CC(O)(C2CC2)C1 ZINC000367137834 386777092 /nfs/dbraw/zinc/77/70/92/386777092.db2.gz LPDUNQNRFNUYPL-LLVKDONJSA-N 1 2 241.331 1.031 20 0 BDADLO CSC[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000330535274 386778373 /nfs/dbraw/zinc/77/83/73/386778373.db2.gz DPARLZOCHVNJRO-SSDOTTSWSA-N 1 2 226.301 1.147 20 0 BDADLO CC[C@H](OC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357448600 386783962 /nfs/dbraw/zinc/78/39/62/386783962.db2.gz FAFNNDZHKSELAY-VIFPVBQESA-N 1 2 233.271 1.698 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248656139 386784969 /nfs/dbraw/zinc/78/49/69/386784969.db2.gz RDGLFUFPOUMTQU-MWLCHTKSSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248656139 386784973 /nfs/dbraw/zinc/78/49/73/386784973.db2.gz RDGLFUFPOUMTQU-MWLCHTKSSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@H](O)C[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000293209648 386787673 /nfs/dbraw/zinc/78/76/73/386787673.db2.gz PIBQMYUKGABJFR-DTWKUNHWSA-N 1 2 228.723 1.899 20 0 BDADLO C[C@H](O)C[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000293209648 386787681 /nfs/dbraw/zinc/78/76/81/386787681.db2.gz PIBQMYUKGABJFR-DTWKUNHWSA-N 1 2 228.723 1.899 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000357475917 386788945 /nfs/dbraw/zinc/78/89/45/386788945.db2.gz VXJZYERBPFIAPH-VWYCJHECSA-N 1 2 233.315 1.312 20 0 BDADLO CO[C@@H]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000293276482 386797859 /nfs/dbraw/zinc/79/78/59/386797859.db2.gz COCDXOXZHCGCHC-NXEZZACHSA-N 1 2 237.303 1.231 20 0 BDADLO Cc1cnn(CC[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000330584448 386799983 /nfs/dbraw/zinc/79/99/83/386799983.db2.gz RTKLHTPCOFSTNH-ZJUUUORDSA-N 1 2 240.282 1.139 20 0 BDADLO Cc1cnn(CC[N@H+]2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000330584448 386799990 /nfs/dbraw/zinc/79/99/90/386799990.db2.gz RTKLHTPCOFSTNH-ZJUUUORDSA-N 1 2 240.282 1.139 20 0 BDADLO Cn1nnc(C[N@H+](C)CC2CCCCC2)n1 ZINC000192961416 386804000 /nfs/dbraw/zinc/80/40/00/386804000.db2.gz XLJZYCGGVHLSHW-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO Cn1nnc(C[N@@H+](C)CC2CCCCC2)n1 ZINC000192961416 386804004 /nfs/dbraw/zinc/80/40/04/386804004.db2.gz XLJZYCGGVHLSHW-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293325973 386804218 /nfs/dbraw/zinc/80/42/18/386804218.db2.gz GEWWTGFVUZHZAA-KXUCPTDWSA-N 1 2 234.303 1.144 20 0 BDADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293325973 386804223 /nfs/dbraw/zinc/80/42/23/386804223.db2.gz GEWWTGFVUZHZAA-KXUCPTDWSA-N 1 2 234.303 1.144 20 0 BDADLO Cc1cc(NCc2ccc3cc[nH]c3n2)nc[nH+]1 ZINC000357575433 386809676 /nfs/dbraw/zinc/80/96/76/386809676.db2.gz CBAQIHBBSIBHCC-UHFFFAOYSA-N 1 2 239.282 1.695 20 0 BDADLO CCCC(=O)NCc1c[nH+]ccc1OC ZINC000293388680 386811619 /nfs/dbraw/zinc/81/16/19/386811619.db2.gz OWXCSXKHYKDCFC-UHFFFAOYSA-N 1 2 208.261 1.507 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](CO)c2ccccc2)n1C ZINC000341000640 386813645 /nfs/dbraw/zinc/81/36/45/386813645.db2.gz AKKCXKYLABGRMC-ZDUSSCGKSA-N 1 2 245.326 1.552 20 0 BDADLO Cc1c[nH+]c(CN[C@@H](CO)c2ccccc2)n1C ZINC000341000640 386813650 /nfs/dbraw/zinc/81/36/50/386813650.db2.gz AKKCXKYLABGRMC-ZDUSSCGKSA-N 1 2 245.326 1.552 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1ncn(C)n1 ZINC000330651397 386813540 /nfs/dbraw/zinc/81/35/40/386813540.db2.gz KKTYOVMWVRXDDN-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1sccc1C[NH2+]Cc1nnnn1C1CC1 ZINC000645162889 386815477 /nfs/dbraw/zinc/81/54/77/386815477.db2.gz MUGRWWHAFUFAPA-UHFFFAOYSA-N 1 2 249.343 1.668 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000366586402 386825547 /nfs/dbraw/zinc/82/55/47/386825547.db2.gz YOCLFPBTSBAGHX-YPMHNXCESA-N 1 2 249.314 1.026 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000366586402 386825551 /nfs/dbraw/zinc/82/55/51/386825551.db2.gz YOCLFPBTSBAGHX-YPMHNXCESA-N 1 2 249.314 1.026 20 0 BDADLO CO[C@H](C(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000280648604 386832015 /nfs/dbraw/zinc/83/20/15/386832015.db2.gz SHXVDPDDOVPDDJ-LBPRGKRZSA-N 1 2 249.314 1.035 20 0 BDADLO COC1(C)C[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000330127617 386832393 /nfs/dbraw/zinc/83/23/93/386832393.db2.gz MZLNHGCXJBUKEL-UHFFFAOYSA-N 1 2 232.287 1.130 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCCCC1 ZINC000280681872 386835202 /nfs/dbraw/zinc/83/52/02/386835202.db2.gz ATZDCHRGNHLDDP-UHFFFAOYSA-N 1 2 207.277 1.273 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c[nH]1 ZINC000293568188 386839848 /nfs/dbraw/zinc/83/98/48/386839848.db2.gz SLYQKZPIEYURQW-MRVPVSSYSA-N 1 2 236.250 1.169 20 0 BDADLO Cc1nsc(NCc2ccc[nH+]c2N(C)C)n1 ZINC000301380216 386840546 /nfs/dbraw/zinc/84/05/46/386840546.db2.gz UCAZQBAXNLHRNN-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)on1 ZINC000341124821 386841958 /nfs/dbraw/zinc/84/19/58/386841958.db2.gz MJMAZXNTEYXWHA-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)on1 ZINC000341124821 386841963 /nfs/dbraw/zinc/84/19/63/386841963.db2.gz MJMAZXNTEYXWHA-MRVPVSSYSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1cnc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000341144225 386846273 /nfs/dbraw/zinc/84/62/73/386846273.db2.gz MRQPULIOFRZQRU-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO Cc1cnc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000341144225 386846278 /nfs/dbraw/zinc/84/62/78/386846278.db2.gz MRQPULIOFRZQRU-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H]1SC ZINC000425333271 386848652 /nfs/dbraw/zinc/84/86/52/386848652.db2.gz DXZSGPLQTMIIPS-CSMHCCOUSA-N 1 2 203.307 1.032 20 0 BDADLO CC(C)c1nc(N2CC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000301954841 386893291 /nfs/dbraw/zinc/89/32/91/386893291.db2.gz DTYZCBDPCIUZPV-JTQLQIEISA-N 1 2 249.362 1.907 20 0 BDADLO CC(C)c1nc(N(C)C)nc(N2CC[C@H](C)C2)[nH+]1 ZINC000301954841 386893293 /nfs/dbraw/zinc/89/32/93/386893293.db2.gz DTYZCBDPCIUZPV-JTQLQIEISA-N 1 2 249.362 1.907 20 0 BDADLO Cc1ccoc1CNC(=O)CCc1c[nH+]cn1C ZINC000293672319 386859118 /nfs/dbraw/zinc/85/91/18/386859118.db2.gz ISLNRSBYWBYIJI-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000331497916 386862884 /nfs/dbraw/zinc/86/28/84/386862884.db2.gz QIGPPTBJUGJITC-SECBINFHSA-N 1 2 236.319 1.360 20 0 BDADLO Cc1ccoc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000293712579 386866649 /nfs/dbraw/zinc/86/66/49/386866649.db2.gz LZJQNAWLRCWHMH-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)[nH]1 ZINC000331547261 386867542 /nfs/dbraw/zinc/86/75/42/386867542.db2.gz AZJPDOXFHCDXFO-LLVKDONJSA-N 1 2 238.335 1.360 20 0 BDADLO Cc1nnc(C[N@H+]2CCCO[C@@H](C(C)C)C2)[nH]1 ZINC000331547261 386867544 /nfs/dbraw/zinc/86/75/44/386867544.db2.gz AZJPDOXFHCDXFO-LLVKDONJSA-N 1 2 238.335 1.360 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)CC2)o1 ZINC000331557440 386870662 /nfs/dbraw/zinc/87/06/62/386870662.db2.gz CEDVRUGHLONIRZ-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)CC2)o1 ZINC000331557440 386870666 /nfs/dbraw/zinc/87/06/66/386870666.db2.gz CEDVRUGHLONIRZ-SNVBAGLBSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000051888052 386873249 /nfs/dbraw/zinc/87/32/49/386873249.db2.gz IOCSJRKPZJEOGY-JTQLQIEISA-N 1 2 239.319 1.082 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000051888052 386873253 /nfs/dbraw/zinc/87/32/53/386873253.db2.gz IOCSJRKPZJEOGY-JTQLQIEISA-N 1 2 239.319 1.082 20 0 BDADLO Cc1occc1C[NH+]1CC(n2ccnn2)C1 ZINC000334835759 386876164 /nfs/dbraw/zinc/87/61/64/386876164.db2.gz JHQWGSRZVRTHRO-UHFFFAOYSA-N 1 2 218.260 1.236 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@@](C)(F)C2)cn1 ZINC000334835928 386876237 /nfs/dbraw/zinc/87/62/37/386876237.db2.gz IZSFWLYKPUQPID-GFCCVEGCSA-N 1 2 223.295 1.973 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@@](C)(F)C2)cn1 ZINC000334835928 386876240 /nfs/dbraw/zinc/87/62/40/386876240.db2.gz IZSFWLYKPUQPID-GFCCVEGCSA-N 1 2 223.295 1.973 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)cn3)CCN12 ZINC000335750621 386877112 /nfs/dbraw/zinc/87/71/12/386877112.db2.gz PBLJQXMNEUMXTQ-GFCCVEGCSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)cn3)CCN12 ZINC000335750621 386877117 /nfs/dbraw/zinc/87/71/17/386877117.db2.gz PBLJQXMNEUMXTQ-GFCCVEGCSA-N 1 2 249.289 1.027 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnn[nH]2)CCCO1 ZINC000331651076 386879998 /nfs/dbraw/zinc/87/99/98/386879998.db2.gz OSQVMEPSAGWOAA-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnn[nH]2)CCCO1 ZINC000331651076 386879999 /nfs/dbraw/zinc/87/99/99/386879999.db2.gz OSQVMEPSAGWOAA-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2c[nH]nn2)CCCO1 ZINC000331651076 386880005 /nfs/dbraw/zinc/88/00/05/386880005.db2.gz OSQVMEPSAGWOAA-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2c[nH]nn2)CCCO1 ZINC000331651076 386880009 /nfs/dbraw/zinc/88/00/09/386880009.db2.gz OSQVMEPSAGWOAA-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cn[nH]n2)CCCO1 ZINC000331651076 386880011 /nfs/dbraw/zinc/88/00/11/386880011.db2.gz OSQVMEPSAGWOAA-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cn[nH]n2)CCCO1 ZINC000331651076 386880014 /nfs/dbraw/zinc/88/00/14/386880014.db2.gz OSQVMEPSAGWOAA-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO COC[C@H]1CCC[N@H+](Cc2noc(C)n2)CC1 ZINC000331678068 386882017 /nfs/dbraw/zinc/88/20/17/386882017.db2.gz SZSZMAMIUCKEHO-NSHDSACASA-N 1 2 239.319 1.627 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cc2noc(C)n2)CC1 ZINC000331678068 386882020 /nfs/dbraw/zinc/88/20/20/386882020.db2.gz SZSZMAMIUCKEHO-NSHDSACASA-N 1 2 239.319 1.627 20 0 BDADLO CC(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cn2)C1 ZINC000301851950 386884091 /nfs/dbraw/zinc/88/40/91/386884091.db2.gz PTAALWZFOWREJP-GFCCVEGCSA-N 1 2 248.330 1.090 20 0 BDADLO CN(CC(C)(C)S(C)(=O)=O)c1cccc[nH+]1 ZINC000301855429 386885091 /nfs/dbraw/zinc/88/50/91/386885091.db2.gz ATESXPRFJAHIKL-UHFFFAOYSA-N 1 2 242.344 1.341 20 0 BDADLO Cc1cc(N(C)C[C@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000302043680 386898381 /nfs/dbraw/zinc/89/83/81/386898381.db2.gz MEBPIGJZYSVTOX-VXGBXAGGSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1c[nH+]c(CNc2cccc(C(N)=O)c2)n1C ZINC000341386575 386899684 /nfs/dbraw/zinc/89/96/84/386899684.db2.gz GQGBKVAARFXDKV-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO Cc1csc(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000334851651 386900506 /nfs/dbraw/zinc/90/05/06/386900506.db2.gz YDDMTHQVMPTFSM-IUCAKERBSA-N 1 2 239.344 1.873 20 0 BDADLO C[S@](=O)Cc1ccccc1NCc1[nH]cc[nH+]1 ZINC000358165719 386905698 /nfs/dbraw/zinc/90/56/98/386905698.db2.gz OFDZCYYLSQPDPD-KRWDZBQOSA-N 1 2 249.339 1.900 20 0 BDADLO COC(=O)CCC(C)(C)[NH2+]Cc1cn[nH]c1C ZINC000358254343 386921430 /nfs/dbraw/zinc/92/14/30/386921430.db2.gz KEZFLUXTIQDXTG-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000331903268 386925006 /nfs/dbraw/zinc/92/50/06/386925006.db2.gz QMUNLBYZQAPDIJ-ZJUUUORDSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1C ZINC000331903268 386925008 /nfs/dbraw/zinc/92/50/08/386925008.db2.gz QMUNLBYZQAPDIJ-ZJUUUORDSA-N 1 2 246.314 1.253 20 0 BDADLO CN(C)c1noc(C[N@@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC000368001054 386927517 /nfs/dbraw/zinc/92/75/17/386927517.db2.gz MUESWWLLFNZXAJ-NXEZZACHSA-N 1 2 236.319 1.510 20 0 BDADLO CN(C)c1noc(C[N@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC000368001054 386927523 /nfs/dbraw/zinc/92/75/23/386927523.db2.gz MUESWWLLFNZXAJ-NXEZZACHSA-N 1 2 236.319 1.510 20 0 BDADLO CCC1(O)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302581666 386927988 /nfs/dbraw/zinc/92/79/88/386927988.db2.gz UARIQQVMKPDUSF-UHFFFAOYSA-N 1 2 221.304 1.561 20 0 BDADLO CC(C)c1cc(C(=O)NCc2[nH]cc[nH+]2)n(C)n1 ZINC000330966700 386930018 /nfs/dbraw/zinc/93/00/18/386930018.db2.gz BFSZYYFFFJLJAX-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334870980 386930499 /nfs/dbraw/zinc/93/04/99/386930499.db2.gz VXBIMFAHJURHJN-TZMCWYRMSA-N 1 2 248.374 1.682 20 0 BDADLO Cc1oncc1C[N@@H+]1CCc2cncnc2C1 ZINC000331982756 386935514 /nfs/dbraw/zinc/93/55/14/386935514.db2.gz NIXGJZYIXRZBTA-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1oncc1C[N@H+]1CCc2cncnc2C1 ZINC000331982756 386935519 /nfs/dbraw/zinc/93/55/19/386935519.db2.gz NIXGJZYIXRZBTA-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cccc(F)c2)nn1 ZINC000341624728 386938407 /nfs/dbraw/zinc/93/84/07/386938407.db2.gz XFWVVDZSEHFSAS-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cccc(F)c2)nn1 ZINC000341624728 386938414 /nfs/dbraw/zinc/93/84/14/386938414.db2.gz XFWVVDZSEHFSAS-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000334878212 386941524 /nfs/dbraw/zinc/94/15/24/386941524.db2.gz TYMXEDMIJREABJ-KBPBESRZSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000334878212 386941529 /nfs/dbraw/zinc/94/15/29/386941529.db2.gz TYMXEDMIJREABJ-KBPBESRZSA-N 1 2 247.342 1.862 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc[nH]c1)C1CC1 ZINC000341701640 386952912 /nfs/dbraw/zinc/95/29/12/386952912.db2.gz AYJAAVHOZPYSNP-LLVKDONJSA-N 1 2 244.298 1.629 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2CO)cs1 ZINC000334823895 386954292 /nfs/dbraw/zinc/95/42/92/386954292.db2.gz IHHBSGGLMBJCNQ-JTQLQIEISA-N 1 2 244.385 1.361 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H]2CO)cs1 ZINC000334823895 386954298 /nfs/dbraw/zinc/95/42/98/386954298.db2.gz IHHBSGGLMBJCNQ-JTQLQIEISA-N 1 2 244.385 1.361 20 0 BDADLO Cc1ncc2c(n1)CCN(c1cc[nH+]c(C)n1)C2 ZINC000608079654 386961224 /nfs/dbraw/zinc/96/12/24/386961224.db2.gz CBWZHVXFEFHFDB-UHFFFAOYSA-N 1 2 241.298 1.446 20 0 BDADLO CCCCC[N@H+](CCO)Cc1nnc(C)s1 ZINC000358493200 386964996 /nfs/dbraw/zinc/96/49/96/386964996.db2.gz ASQVSFUPCPQHPZ-UHFFFAOYSA-N 1 2 243.376 1.831 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1nnc(C)s1 ZINC000358493200 386964998 /nfs/dbraw/zinc/96/49/98/386964998.db2.gz ASQVSFUPCPQHPZ-UHFFFAOYSA-N 1 2 243.376 1.831 20 0 BDADLO CCCc1nc(C[NH2+][C@](C)(CO)C(C)C)no1 ZINC000352919695 386968995 /nfs/dbraw/zinc/96/89/95/386968995.db2.gz XMIQDWVNKBRIRA-GFCCVEGCSA-N 1 2 241.335 1.519 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000352944006 386970558 /nfs/dbraw/zinc/97/05/58/386970558.db2.gz DPOQOYIMHQADFF-UHFFFAOYSA-N 1 2 218.260 1.230 20 0 BDADLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000368410258 386972356 /nfs/dbraw/zinc/97/23/56/386972356.db2.gz JMOJCVGOWANEFN-ONGXEEELSA-N 1 2 233.315 1.360 20 0 BDADLO COCc1ccc(C(=O)NCc2[nH]c[nH+]c2C)o1 ZINC000358542170 386976495 /nfs/dbraw/zinc/97/64/95/386976495.db2.gz OYXACGGGHVEYMS-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000334904034 386977868 /nfs/dbraw/zinc/97/78/68/386977868.db2.gz XTFJIJQETWDGNU-NXEZZACHSA-N 1 2 220.272 1.175 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC1CCSCC1 ZINC000331165642 386980115 /nfs/dbraw/zinc/98/01/15/386980115.db2.gz HTRNPOIXUDFLHI-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC1CCSCC1 ZINC000331165642 386980121 /nfs/dbraw/zinc/98/01/21/386980121.db2.gz HTRNPOIXUDFLHI-UHFFFAOYSA-N 1 2 239.344 1.354 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)CC(C)(C)O ZINC000331173446 386980496 /nfs/dbraw/zinc/98/04/96/386980496.db2.gz DLZJTPLBWCJGQM-UHFFFAOYSA-N 1 2 240.351 1.305 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)CC(C)(C)O ZINC000331173446 386980499 /nfs/dbraw/zinc/98/04/99/386980499.db2.gz DLZJTPLBWCJGQM-UHFFFAOYSA-N 1 2 240.351 1.305 20 0 BDADLO C[N@H+](Cc1ccncc1Cl)C1(CO)CC1 ZINC000353009960 386986254 /nfs/dbraw/zinc/98/62/54/386986254.db2.gz SPXPNSCJTLXQQQ-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO C[N@@H+](Cc1ccncc1Cl)C1(CO)CC1 ZINC000353009960 386986259 /nfs/dbraw/zinc/98/62/59/386986259.db2.gz SPXPNSCJTLXQQQ-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353010573 386988669 /nfs/dbraw/zinc/98/86/69/386988669.db2.gz VUSYDJNNTLDYQR-JGVFFNPUSA-N 1 2 237.246 1.109 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353010573 386988675 /nfs/dbraw/zinc/98/86/75/386988675.db2.gz VUSYDJNNTLDYQR-JGVFFNPUSA-N 1 2 237.246 1.109 20 0 BDADLO CN(Cc1[nH+]ccn1C)c1nnc(C(F)F)o1 ZINC000330345386 386989307 /nfs/dbraw/zinc/98/93/07/386989307.db2.gz FDFJGWZRLKVFHS-UHFFFAOYSA-N 1 2 243.217 1.377 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nncn1C ZINC000519047570 386996259 /nfs/dbraw/zinc/99/62/59/386996259.db2.gz DVDUFFDNBOTGKY-YUMQZZPRSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nncn1C ZINC000519047570 386996261 /nfs/dbraw/zinc/99/62/61/386996261.db2.gz DVDUFFDNBOTGKY-YUMQZZPRSA-N 1 2 248.252 1.588 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)C2(C)C)[nH]1 ZINC000332620310 386996816 /nfs/dbraw/zinc/99/68/16/386996816.db2.gz DWEJDIPKISNPFK-SECBINFHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)C2(C)C)[nH]1 ZINC000332620310 386996821 /nfs/dbraw/zinc/99/68/21/386996821.db2.gz DWEJDIPKISNPFK-SECBINFHSA-N 1 2 238.335 1.273 20 0 BDADLO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1nnc(C)[nH]1 ZINC000331312669 387002321 /nfs/dbraw/zinc/00/23/21/387002321.db2.gz CEKKWKFNLCFZCJ-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1nnc(C)[nH]1 ZINC000331312669 387002323 /nfs/dbraw/zinc/00/23/23/387002323.db2.gz CEKKWKFNLCFZCJ-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2[C@@H]2C=CCCC2)n1 ZINC000330360846 387005920 /nfs/dbraw/zinc/00/59/20/387005920.db2.gz XPIMHOPTTOYDGY-IJLUTSLNSA-N 1 2 249.314 1.594 20 0 BDADLO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2[C@@H]2C=CCCC2)n1 ZINC000330360846 387005926 /nfs/dbraw/zinc/00/59/26/387005926.db2.gz XPIMHOPTTOYDGY-IJLUTSLNSA-N 1 2 249.314 1.594 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCc1[nH]cc[nH+]1 ZINC000331054472 386949115 /nfs/dbraw/zinc/94/91/15/386949115.db2.gz KAFNNGUSRSCIMP-WPRPVWTQSA-N 1 2 225.292 1.087 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000334820468 386949964 /nfs/dbraw/zinc/94/99/64/386949964.db2.gz XNKCURUIVPHYMA-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000334820468 386949969 /nfs/dbraw/zinc/94/99/69/386949969.db2.gz XNKCURUIVPHYMA-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO COC(=O)[C@H](CC(F)F)[NH2+]C[C@H]1C[C@@H]1C ZINC000336763784 387035760 /nfs/dbraw/zinc/03/57/60/387035760.db2.gz PFQJBHTWOMWKIE-RNJXMRFFSA-N 1 2 221.247 1.429 20 0 BDADLO COC(=O)[C@H](CC(F)F)[NH2+]C[C@H]1C[C@H]1C ZINC000336763783 387035799 /nfs/dbraw/zinc/03/57/99/387035799.db2.gz PFQJBHTWOMWKIE-PRJMDXOYSA-N 1 2 221.247 1.429 20 0 BDADLO COC(=O)C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000304417430 387036382 /nfs/dbraw/zinc/03/63/82/387036382.db2.gz DOVLJHLEYKHUEX-GXFFZTMASA-N 1 2 243.347 1.326 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425386468 387037031 /nfs/dbraw/zinc/03/70/31/387037031.db2.gz RTAZHACBNSLDGH-UHFFFAOYSA-N 1 2 217.219 1.992 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425386468 387037035 /nfs/dbraw/zinc/03/70/35/387037035.db2.gz RTAZHACBNSLDGH-UHFFFAOYSA-N 1 2 217.219 1.992 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@H](C)C1 ZINC000334962700 387043164 /nfs/dbraw/zinc/04/31/64/387043164.db2.gz UAHNHAOEZZKCMF-SNVBAGLBSA-N 1 2 209.293 1.124 20 0 BDADLO CC(C)c1nc(N[C@H]2CCCN(C)C2=O)cc[nH+]1 ZINC000359012119 387045511 /nfs/dbraw/zinc/04/55/11/387045511.db2.gz CTOFTUWEHHCFHP-JTQLQIEISA-N 1 2 248.330 1.055 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333641898 387047567 /nfs/dbraw/zinc/04/75/67/387047567.db2.gz SLYSQMRFTUQLMH-NWDGAFQWSA-N 1 2 248.330 1.453 20 0 BDADLO CC[C@@H](C)[C@](C)(O)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000333982509 387047840 /nfs/dbraw/zinc/04/78/40/387047840.db2.gz OLNCCJIGFRHRDF-PRHODGIISA-N 1 2 239.319 1.245 20 0 BDADLO CCn1cncc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000418035527 387060683 /nfs/dbraw/zinc/06/06/83/387060683.db2.gz VEOFRGCSLQPKAR-FZMZJTMJSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1cncc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000418035527 387060689 /nfs/dbraw/zinc/06/06/89/387060689.db2.gz VEOFRGCSLQPKAR-FZMZJTMJSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000418035527 387060692 /nfs/dbraw/zinc/06/06/92/387060692.db2.gz VEOFRGCSLQPKAR-FZMZJTMJSA-N 1 2 249.358 1.902 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(CCO)C1CC1 ZINC000305710419 387061851 /nfs/dbraw/zinc/06/18/51/387061851.db2.gz DZKWLAWRWZNNBA-UHFFFAOYSA-N 1 2 235.287 1.379 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368799872 387011361 /nfs/dbraw/zinc/01/13/61/387011361.db2.gz KBTOHFFCIAJUJO-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368799872 387011367 /nfs/dbraw/zinc/01/13/67/387011367.db2.gz KBTOHFFCIAJUJO-LLVKDONJSA-N 1 2 227.304 1.050 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494330 387065857 /nfs/dbraw/zinc/06/58/57/387065857.db2.gz UALBUMYTZRTJCW-NXEZZACHSA-N 1 2 231.336 1.731 20 0 BDADLO c1cn(CCNc2ncnc3sccc32)c[nH+]1 ZINC000025347331 387017668 /nfs/dbraw/zinc/01/76/68/387017668.db2.gz JDIKKICHVBRCGD-UHFFFAOYSA-N 1 2 245.311 2.000 20 0 BDADLO C[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000334942505 387019868 /nfs/dbraw/zinc/01/98/68/387019868.db2.gz JIMVBOGEFYSMAM-JQWIXIFHSA-N 1 2 247.342 1.782 20 0 BDADLO C[N@H+](Cc1nc(-c2ccoc2)no1)[C@@H]1CCOC1 ZINC000106885760 387027300 /nfs/dbraw/zinc/02/73/00/387027300.db2.gz BZCZHHMSZRRFQK-SNVBAGLBSA-N 1 2 249.270 1.550 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccoc2)no1)[C@@H]1CCOC1 ZINC000106885760 387027302 /nfs/dbraw/zinc/02/73/02/387027302.db2.gz BZCZHHMSZRRFQK-SNVBAGLBSA-N 1 2 249.270 1.550 20 0 BDADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@@H]1[C@@H]1CCCO1 ZINC000334982319 387069916 /nfs/dbraw/zinc/06/99/16/387069916.db2.gz MHYHIEYXOFTFNK-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@@H]1[C@@H]1CCCO1 ZINC000334982319 387069919 /nfs/dbraw/zinc/06/99/19/387069919.db2.gz MHYHIEYXOFTFNK-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@H]1[C@@H]1CCCO1 ZINC000334982320 387070041 /nfs/dbraw/zinc/07/00/41/387070041.db2.gz MHYHIEYXOFTFNK-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@H]1[C@@H]1CCCO1 ZINC000334982320 387070043 /nfs/dbraw/zinc/07/00/43/387070043.db2.gz MHYHIEYXOFTFNK-RYUDHWBXSA-N 1 2 235.331 1.799 20 0 BDADLO COC(=O)[C@H]([NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000425966735 387074206 /nfs/dbraw/zinc/07/42/06/387074206.db2.gz MCHAUCSWERFILB-YWVDXFKGSA-N 1 2 246.310 1.636 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@]1(C)C[C@@H]1F ZINC000424863288 387076881 /nfs/dbraw/zinc/07/68/81/387076881.db2.gz ACRWXZRSTSKBGC-HOTUBEGUSA-N 1 2 239.294 1.828 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](CC(N)=O)CCO1 ZINC000336251732 387084835 /nfs/dbraw/zinc/08/48/35/387084835.db2.gz RWOBBGMDTFBVST-MRVPVSSYSA-N 1 2 200.282 1.269 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](CC(N)=O)CCO1 ZINC000336251732 387084839 /nfs/dbraw/zinc/08/48/39/387084839.db2.gz RWOBBGMDTFBVST-MRVPVSSYSA-N 1 2 200.282 1.269 20 0 BDADLO CCC(CC)C[NH+]1CC(S(=O)(=O)CC)C1 ZINC000418074627 387087466 /nfs/dbraw/zinc/08/74/66/387087466.db2.gz NWUPJNHRAMXVSK-UHFFFAOYSA-N 1 2 233.377 1.542 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1nccs1 ZINC000070732879 387091237 /nfs/dbraw/zinc/09/12/37/387091237.db2.gz ZTXBFTMLBHNVRS-SECBINFHSA-N 1 2 241.360 1.708 20 0 BDADLO CCN(Cc1c[nH+]cn1CC)C1COC1 ZINC000418082627 387091249 /nfs/dbraw/zinc/09/12/49/387091249.db2.gz XSWLMUWSVHEENO-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO FC(F)c1ccnc(NCCn2cc[nH+]c2)n1 ZINC000359367782 387093277 /nfs/dbraw/zinc/09/32/77/387093277.db2.gz XKYSQWPFKSELPB-UHFFFAOYSA-N 1 2 239.229 1.723 20 0 BDADLO CC(C)c1nc(NCCCc2nnc[nH]2)cc[nH+]1 ZINC000352348867 387093700 /nfs/dbraw/zinc/09/37/00/387093700.db2.gz GMFXHSLXMLXAMW-UHFFFAOYSA-N 1 2 246.318 1.185 20 0 BDADLO C[C@@H]1CCC[C@@H](C[NH+]2CC(S(C)(=O)=O)C2)C1 ZINC000418084878 387094406 /nfs/dbraw/zinc/09/44/06/387094406.db2.gz RZWSBPMXHIIMGA-GHMZBOCLSA-N 1 2 245.388 1.542 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H]1COC(C)(C)C1 ZINC000418088132 387096474 /nfs/dbraw/zinc/09/64/74/387096474.db2.gz JKNIKHNNPDNYMR-WDEREUQCSA-N 1 2 241.331 1.485 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370233440 387096822 /nfs/dbraw/zinc/09/68/22/387096822.db2.gz PGYFADZHCMPFSJ-WCQYABFASA-N 1 2 248.326 1.319 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370233440 387096830 /nfs/dbraw/zinc/09/68/30/387096830.db2.gz PGYFADZHCMPFSJ-WCQYABFASA-N 1 2 248.326 1.319 20 0 BDADLO COC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000071271858 387097131 /nfs/dbraw/zinc/09/71/31/387097131.db2.gz BXOFBBRVMDTMBS-JTQLQIEISA-N 1 2 239.319 1.328 20 0 BDADLO Cc1cc(C)c(CN2C(=O)NC(C)(C)C2=O)c[nH+]1 ZINC000335003856 387097830 /nfs/dbraw/zinc/09/78/30/387097830.db2.gz HJBWAOJALPPIDI-UHFFFAOYSA-N 1 2 247.298 1.529 20 0 BDADLO C[C@]1(F)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000336275425 387106235 /nfs/dbraw/zinc/10/62/35/387106235.db2.gz MLYUFRKJZCVWSL-YUMQZZPRSA-N 1 2 229.217 1.734 20 0 BDADLO C[C@]1(F)CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000336275425 387106239 /nfs/dbraw/zinc/10/62/39/387106239.db2.gz MLYUFRKJZCVWSL-YUMQZZPRSA-N 1 2 229.217 1.734 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000353091181 387115491 /nfs/dbraw/zinc/11/54/91/387115491.db2.gz CDZVDNDAYAIOQE-LSJOCFKGSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000353091181 387115494 /nfs/dbraw/zinc/11/54/94/387115494.db2.gz CDZVDNDAYAIOQE-LSJOCFKGSA-N 1 2 224.304 1.981 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000370446996 387115894 /nfs/dbraw/zinc/11/58/94/387115894.db2.gz JHHCKIAFOXUBCE-CMPLNLGQSA-N 1 2 234.299 1.638 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000370446996 387115898 /nfs/dbraw/zinc/11/58/98/387115898.db2.gz JHHCKIAFOXUBCE-CMPLNLGQSA-N 1 2 234.299 1.638 20 0 BDADLO Cc1cc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc[nH+]1 ZINC000333976347 387119848 /nfs/dbraw/zinc/11/98/48/387119848.db2.gz YNWGSJGHAGMSRL-WCQGTBRESA-N 1 2 244.294 1.366 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)CO)C(=O)OCC ZINC000228728204 387123937 /nfs/dbraw/zinc/12/39/37/387123937.db2.gz QVXYCQWPPCTHHU-DCAQKATOSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000228730233 387124526 /nfs/dbraw/zinc/12/45/26/387124526.db2.gz HGJVYPLEOBUVOL-AEJSXWLSSA-N 1 2 231.336 1.323 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[C@@H]1CO ZINC000334981384 387068195 /nfs/dbraw/zinc/06/81/95/387068195.db2.gz QTDBEUITLQMGKW-ZYHUDNBSSA-N 1 2 249.314 1.094 20 0 BDADLO CC(C)CCSCC(=O)NCc1c[nH+]c[nH]1 ZINC000359673241 387143860 /nfs/dbraw/zinc/14/38/60/387143860.db2.gz BASMCCSIFCBURR-UHFFFAOYSA-N 1 2 241.360 1.805 20 0 BDADLO CC(C)CCSCC(=O)NCc1c[nH]c[nH+]1 ZINC000359673241 387143865 /nfs/dbraw/zinc/14/38/65/387143865.db2.gz BASMCCSIFCBURR-UHFFFAOYSA-N 1 2 241.360 1.805 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000359710639 387152873 /nfs/dbraw/zinc/15/28/73/387152873.db2.gz IOPMKIFMCLVPEO-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C[C@H](C)OC ZINC000353200015 387155034 /nfs/dbraw/zinc/15/50/34/387155034.db2.gz HQVWIUIDFMPYRM-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C[C@H](C)OC ZINC000353200015 387155038 /nfs/dbraw/zinc/15/50/38/387155038.db2.gz HQVWIUIDFMPYRM-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO Cc1csc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000336331362 387158507 /nfs/dbraw/zinc/15/85/07/387158507.db2.gz DYBCEAGAIMUGCX-CBAPKCEASA-N 1 2 239.344 1.730 20 0 BDADLO Cc1csc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000336331362 387158511 /nfs/dbraw/zinc/15/85/11/387158511.db2.gz DYBCEAGAIMUGCX-CBAPKCEASA-N 1 2 239.344 1.730 20 0 BDADLO COCc1nc(C[NH2+]Cc2ccncc2)cs1 ZINC000353225037 387161149 /nfs/dbraw/zinc/16/11/49/387161149.db2.gz WJKUETMNSWXUGM-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418132405 387161299 /nfs/dbraw/zinc/16/12/99/387161299.db2.gz JCWREZVFCXNHHO-JTQLQIEISA-N 1 2 244.289 1.147 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507968 387175047 /nfs/dbraw/zinc/17/50/47/387175047.db2.gz BVEGUAPVHSZCDM-WDEREUQCSA-N 1 2 240.347 1.202 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229507968 387175050 /nfs/dbraw/zinc/17/50/50/387175050.db2.gz BVEGUAPVHSZCDM-WDEREUQCSA-N 1 2 240.347 1.202 20 0 BDADLO C[C@@H](CC(=O)N1[C@H](C)C[C@H]1C)n1cc[nH+]c1 ZINC000571812216 387176112 /nfs/dbraw/zinc/17/61/12/387176112.db2.gz ZROSDTGCTKWIOW-HBNTYKKESA-N 1 2 221.304 1.844 20 0 BDADLO Cc1nc(N(C)C)nc(NCCC2(C)CC2)[nH+]1 ZINC000359845786 387176721 /nfs/dbraw/zinc/17/67/21/387176721.db2.gz PDDGKZQETJMMQF-UHFFFAOYSA-N 1 2 235.335 1.270 20 0 BDADLO Cc1nc(NCCC2(C)CC2)nc(N(C)C)[nH+]1 ZINC000359845786 387176730 /nfs/dbraw/zinc/17/67/30/387176730.db2.gz PDDGKZQETJMMQF-UHFFFAOYSA-N 1 2 235.335 1.270 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)c1ccn(C)c1 ZINC000336346560 387177099 /nfs/dbraw/zinc/17/70/99/387177099.db2.gz HIDIGEYPDVVCRM-UHFFFAOYSA-N 1 2 244.298 1.738 20 0 BDADLO C[C@@H](NCC(F)(F)C[NH3+])[C@H]1CC1(C)C ZINC000423337134 387186348 /nfs/dbraw/zinc/18/63/48/387186348.db2.gz HJAKXVQSYMLLTI-HTQZYQBOSA-N 1 2 206.280 1.605 20 0 BDADLO Cc1nc(N(C)Cc2ccnn2C)cc[nH+]1 ZINC000359907436 387188697 /nfs/dbraw/zinc/18/86/97/387188697.db2.gz WOCVIIWJBPPNKL-UHFFFAOYSA-N 1 2 217.276 1.155 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@H]2C2CC2)no1 ZINC000336307575 387135819 /nfs/dbraw/zinc/13/58/19/387135819.db2.gz UGMUKHXFHGFJIG-JTQLQIEISA-N 1 2 239.344 1.705 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@H]2C2CC2)no1 ZINC000336307575 387135823 /nfs/dbraw/zinc/13/58/23/387135823.db2.gz UGMUKHXFHGFJIG-JTQLQIEISA-N 1 2 239.344 1.705 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000359623992 387135892 /nfs/dbraw/zinc/13/58/92/387135892.db2.gz XQPMHNHHIZEPKW-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000359623992 387135894 /nfs/dbraw/zinc/13/58/94/387135894.db2.gz XQPMHNHHIZEPKW-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458777704 387140320 /nfs/dbraw/zinc/14/03/20/387140320.db2.gz OVZWGVOYWALCCK-KOLCDFICSA-N 1 2 236.319 1.060 20 0 BDADLO CCCc1noc(C[N@H+](C)CC2(O)CCC2)n1 ZINC000353468158 387207708 /nfs/dbraw/zinc/20/77/08/387207708.db2.gz NREQGRSWAXODIE-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC2(O)CCC2)n1 ZINC000353468158 387207712 /nfs/dbraw/zinc/20/77/12/387207712.db2.gz NREQGRSWAXODIE-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000336383622 387213224 /nfs/dbraw/zinc/21/32/24/387213224.db2.gz FOVYWKYGVWLWDH-DDFAGTSDSA-N 1 2 233.315 1.473 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C1CC(O)C1 ZINC000353485675 387213516 /nfs/dbraw/zinc/21/35/16/387213516.db2.gz UXXZFZMDYMVPFU-IDKOKCKLSA-N 1 2 229.320 1.172 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CC(O)C1 ZINC000353485675 387213520 /nfs/dbraw/zinc/21/35/20/387213520.db2.gz UXXZFZMDYMVPFU-IDKOKCKLSA-N 1 2 229.320 1.172 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCSC2)s1 ZINC000336383549 387213817 /nfs/dbraw/zinc/21/38/17/387213817.db2.gz IFRKKUQVEFTRNX-MRVPVSSYSA-N 1 2 229.374 1.784 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCSC2)s1 ZINC000336383549 387213819 /nfs/dbraw/zinc/21/38/19/387213819.db2.gz IFRKKUQVEFTRNX-MRVPVSSYSA-N 1 2 229.374 1.784 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](C)OC)CCC(C)CC1 ZINC000360016795 387213824 /nfs/dbraw/zinc/21/38/24/387213824.db2.gz OHKMXIAJSWFQGE-AKJDGMEZSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CC1CC1)C2 ZINC000371491739 387221920 /nfs/dbraw/zinc/22/19/20/387221920.db2.gz VKNFFJUFRCAYFC-LLVKDONJSA-N 1 2 233.315 1.423 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H](CO)O1 ZINC000230013065 387225903 /nfs/dbraw/zinc/22/59/03/387225903.db2.gz NRSWCBHKHJLXEY-JQWIXIFHSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H](CO)O1 ZINC000230013065 387225909 /nfs/dbraw/zinc/22/59/09/387225909.db2.gz NRSWCBHKHJLXEY-JQWIXIFHSA-N 1 2 239.290 1.407 20 0 BDADLO CC(C)c1nc(N[C@@H](C)c2ncnn2C)cc[nH+]1 ZINC000352467874 387230159 /nfs/dbraw/zinc/23/01/59/387230159.db2.gz GLTWEFLHTTUVNI-VIFPVBQESA-N 1 2 246.318 1.324 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(F)cc1 ZINC000336405752 387235824 /nfs/dbraw/zinc/23/58/24/387235824.db2.gz XPWABLNEXPYUKX-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(F)cc1 ZINC000336405752 387235826 /nfs/dbraw/zinc/23/58/26/387235826.db2.gz XPWABLNEXPYUKX-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO Cc1cc(NC(=O)C[C@H](C)n2cccn2)cc[nH+]1 ZINC000424661307 387239516 /nfs/dbraw/zinc/23/95/16/387239516.db2.gz VTMDOIZDMYZBJX-NSHDSACASA-N 1 2 244.298 1.598 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000371696932 387241163 /nfs/dbraw/zinc/24/11/63/387241163.db2.gz RBSGGQOKLPVLOW-IUCAKERBSA-N 1 2 211.265 1.241 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000371696932 387241170 /nfs/dbraw/zinc/24/11/70/387241170.db2.gz RBSGGQOKLPVLOW-IUCAKERBSA-N 1 2 211.265 1.241 20 0 BDADLO Cc1ccnc([C@@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000353618548 387243460 /nfs/dbraw/zinc/24/34/60/387243460.db2.gz GHZYNIOOTCWIRS-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO Cc1cnn(C)c1CNc1cc[nH+]cc1F ZINC000285018250 387248031 /nfs/dbraw/zinc/24/80/31/387248031.db2.gz FENIHERJHNFYCQ-UHFFFAOYSA-N 1 2 220.251 1.875 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@H](F)C1 ZINC000424587273 387194567 /nfs/dbraw/zinc/19/45/67/387194567.db2.gz TZDVQKCEIOKLON-MNOVXSKESA-N 1 2 239.294 1.528 20 0 BDADLO C[C@H](CF)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000360590508 387315378 /nfs/dbraw/zinc/31/53/78/387315378.db2.gz FFIXXNMSGNPIAM-SNVBAGLBSA-N 1 2 247.273 1.960 20 0 BDADLO c1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)[nH]n1 ZINC000336488519 387315840 /nfs/dbraw/zinc/31/58/40/387315840.db2.gz XDDPRPQFMARQCF-CYBMUJFWSA-N 1 2 243.310 1.893 20 0 BDADLO Cc1ccc(C[N@@H+]2CCn3ncnc3C2)c(C)n1 ZINC000360340396 387267398 /nfs/dbraw/zinc/26/73/98/387267398.db2.gz ZGECSBMJMLWWPE-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1ccc(C[N@H+]2CCn3ncnc3C2)c(C)n1 ZINC000360340396 387267401 /nfs/dbraw/zinc/26/74/01/387267401.db2.gz ZGECSBMJMLWWPE-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[N@H+](Cc1c(F)cccc1F)C1CC(O)C1 ZINC000336444341 387271664 /nfs/dbraw/zinc/27/16/64/387271664.db2.gz IFTCVWVENKATRA-UHFFFAOYSA-N 1 2 227.254 1.920 20 0 BDADLO C[N@@H+](Cc1c(F)cccc1F)C1CC(O)C1 ZINC000336444341 387271671 /nfs/dbraw/zinc/27/16/71/387271671.db2.gz IFTCVWVENKATRA-UHFFFAOYSA-N 1 2 227.254 1.920 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@@H](F)C1 ZINC000360374447 387273236 /nfs/dbraw/zinc/27/32/36/387273236.db2.gz UQXQHCBMWUKDBT-ZJUUUORDSA-N 1 2 239.294 1.360 20 0 BDADLO Cc1nnc2n1CC[N@@H+](Cc1cnccc1C)C2 ZINC000372187921 387281880 /nfs/dbraw/zinc/28/18/80/387281880.db2.gz UBPZEGBCLZZKEH-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nnc2n1CC[N@H+](Cc1cnccc1C)C2 ZINC000372187921 387281884 /nfs/dbraw/zinc/28/18/84/387281884.db2.gz UBPZEGBCLZZKEH-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C2CC2)[nH+]1 ZINC000336456772 387282375 /nfs/dbraw/zinc/28/23/75/387282375.db2.gz LWSZLEQOUAGWJU-UHFFFAOYSA-N 1 2 202.261 1.865 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)o1 ZINC000336455392 387282539 /nfs/dbraw/zinc/28/25/39/387282539.db2.gz YMGFMNDYKPVGBL-CDMJZVDBSA-N 1 2 241.356 1.929 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)o1 ZINC000336455392 387282543 /nfs/dbraw/zinc/28/25/43/387282543.db2.gz YMGFMNDYKPVGBL-CDMJZVDBSA-N 1 2 241.356 1.929 20 0 BDADLO CN(c1cc(NC2CC2)[nH+]cn1)[C@H]1CCCOC1 ZINC000564136378 387295407 /nfs/dbraw/zinc/29/54/07/387295407.db2.gz CZZBUQNBMUMEGI-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CN(c1cc(NC2CC2)nc[nH+]1)[C@H]1CCCOC1 ZINC000564136378 387295414 /nfs/dbraw/zinc/29/54/14/387295414.db2.gz CZZBUQNBMUMEGI-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO O=C(CC1(C(F)(F)F)CC1)NCc1c[nH+]c[nH]1 ZINC000353914932 387297348 /nfs/dbraw/zinc/29/73/48/387297348.db2.gz YMIPPEDVUCNIMJ-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO O=C(CC1(C(F)(F)F)CC1)NCc1c[nH]c[nH+]1 ZINC000353914932 387297352 /nfs/dbraw/zinc/29/73/52/387297352.db2.gz YMIPPEDVUCNIMJ-UHFFFAOYSA-N 1 2 247.220 1.759 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@@H](c2ccco2)C1 ZINC000121112289 387302365 /nfs/dbraw/zinc/30/23/65/387302365.db2.gz VJWZAJOZOLRIDR-GFCCVEGCSA-N 1 2 247.298 1.587 20 0 BDADLO CC1(C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000336538279 387358691 /nfs/dbraw/zinc/35/86/91/387358691.db2.gz GOADXVXHTRMSHS-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000352604973 387362121 /nfs/dbraw/zinc/36/21/21/387362121.db2.gz FHVAXFPRPYMTLJ-JTQLQIEISA-N 1 2 236.319 1.228 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@@H]2CF)n1C ZINC000354518328 387384380 /nfs/dbraw/zinc/38/43/80/387384380.db2.gz AHCBTHDFGGCUFV-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO CC(C)C[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000360939169 387368947 /nfs/dbraw/zinc/36/89/47/387368947.db2.gz AMNJYHPMSMWEPI-VIFPVBQESA-N 1 2 222.288 1.830 20 0 BDADLO CSCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000515378361 387370174 /nfs/dbraw/zinc/37/01/74/387370174.db2.gz RUVFHMZNYDYFLS-UHFFFAOYSA-N 1 2 240.376 1.487 20 0 BDADLO CSCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000515378361 387370180 /nfs/dbraw/zinc/37/01/80/387370180.db2.gz RUVFHMZNYDYFLS-UHFFFAOYSA-N 1 2 240.376 1.487 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)[nH]1 ZINC000373488938 387373302 /nfs/dbraw/zinc/37/33/02/387373302.db2.gz IVNKVAVUZFALGX-GHMZBOCLSA-N 1 2 207.277 1.163 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@H]3OCC[C@H]32)[nH]1 ZINC000373488938 387373303 /nfs/dbraw/zinc/37/33/03/387373303.db2.gz IVNKVAVUZFALGX-GHMZBOCLSA-N 1 2 207.277 1.163 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000515385823 387374650 /nfs/dbraw/zinc/37/46/50/387374650.db2.gz DHFHGBACQFTOPF-WZRBSPASSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1noc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000336555484 387378104 /nfs/dbraw/zinc/37/81/04/387378104.db2.gz MNMACYWEQDRTHD-ZETCQYMHSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1noc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000336555484 387378108 /nfs/dbraw/zinc/37/81/08/387378108.db2.gz MNMACYWEQDRTHD-ZETCQYMHSA-N 1 2 213.306 1.315 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@H](c2ccco2)C1 ZINC000121546235 387378785 /nfs/dbraw/zinc/37/87/85/387378785.db2.gz CFCBGEYYMHIFOE-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000372658663 387319603 /nfs/dbraw/zinc/31/96/03/387319603.db2.gz AKHACNWGIXKUQL-QWRGUYRKSA-N 1 2 225.288 1.424 20 0 BDADLO CC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000372658663 387319610 /nfs/dbraw/zinc/31/96/10/387319610.db2.gz AKHACNWGIXKUQL-QWRGUYRKSA-N 1 2 225.288 1.424 20 0 BDADLO CC[C@]1(C(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000514997549 387320654 /nfs/dbraw/zinc/32/06/54/387320654.db2.gz FYEMFYYRAAAZQU-TZMCWYRMSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C(F)(F)F)C2 ZINC000360663664 387330566 /nfs/dbraw/zinc/33/05/66/387330566.db2.gz QZFWJPSKAAFLDB-SSDOTTSWSA-N 1 2 247.220 1.185 20 0 BDADLO CCc1nn(C)cc1C[N@H+](C1CC1)C1COC1 ZINC000648606637 387383393 /nfs/dbraw/zinc/38/33/93/387383393.db2.gz MVXNXEQABFLWGY-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO CCc1nn(C)cc1C[N@@H+](C1CC1)C1COC1 ZINC000648606637 387383399 /nfs/dbraw/zinc/38/33/99/387383399.db2.gz MVXNXEQABFLWGY-UHFFFAOYSA-N 1 2 235.331 1.346 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)s1 ZINC000352665588 387427702 /nfs/dbraw/zinc/42/77/02/387427702.db2.gz FTKSOTHWWRKRFM-RKDXNWHRSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2CCC[C@H]2O)s1 ZINC000352665588 387427707 /nfs/dbraw/zinc/42/77/07/387427707.db2.gz FTKSOTHWWRKRFM-RKDXNWHRSA-N 1 2 227.333 1.192 20 0 BDADLO COC(=O)C[N@H+](C[C@H](O)CCC(C)C)C1CC1 ZINC000361276924 387429740 /nfs/dbraw/zinc/42/97/40/387429740.db2.gz PMQWCDJNWJYDLC-GFCCVEGCSA-N 1 2 243.347 1.421 20 0 BDADLO COC(=O)C[N@@H+](C[C@H](O)CCC(C)C)C1CC1 ZINC000361276924 387429745 /nfs/dbraw/zinc/42/97/45/387429745.db2.gz PMQWCDJNWJYDLC-GFCCVEGCSA-N 1 2 243.347 1.421 20 0 BDADLO c1snnc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000374254724 387434930 /nfs/dbraw/zinc/43/49/30/387434930.db2.gz NKGHVUUJEZTPAR-MNOVXSKESA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000374254724 387434933 /nfs/dbraw/zinc/43/49/33/387434933.db2.gz NKGHVUUJEZTPAR-MNOVXSKESA-N 1 2 239.344 1.682 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](C2CC2)C1 ZINC000374323619 387443272 /nfs/dbraw/zinc/44/32/72/387443272.db2.gz IJFSAPGNDXPOER-SNVBAGLBSA-N 1 2 243.314 1.600 20 0 BDADLO CC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000515972445 387443706 /nfs/dbraw/zinc/44/37/06/387443706.db2.gz ZGWVWWYVKBVQTE-RYUDHWBXSA-N 1 2 243.347 1.469 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000374381286 387448530 /nfs/dbraw/zinc/44/85/30/387448530.db2.gz SOFQFENVDGUQLH-NSHDSACASA-N 1 2 233.315 1.536 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)on1 ZINC000336612363 387454626 /nfs/dbraw/zinc/45/46/26/387454626.db2.gz SAWNVXYUYJHOKR-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)on1 ZINC000336612363 387454630 /nfs/dbraw/zinc/45/46/30/387454630.db2.gz SAWNVXYUYJHOKR-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO COC[C@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000354969536 387455782 /nfs/dbraw/zinc/45/57/82/387455782.db2.gz CPBCVAGFZCTZLF-JTQLQIEISA-N 1 2 247.298 1.028 20 0 BDADLO Cc1noc(C[N@@H+](C(C)C)[C@@H]2CCOC2)n1 ZINC000361422033 387459804 /nfs/dbraw/zinc/45/98/04/387459804.db2.gz XYAWFOLWMANBAW-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1noc(C[N@H+](C(C)C)[C@@H]2CCOC2)n1 ZINC000361422033 387459809 /nfs/dbraw/zinc/45/98/09/387459809.db2.gz XYAWFOLWMANBAW-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO CC(=O)c1cc(C[NH+]2[C@@H](C)C[C@@H]2C)on1 ZINC000515497082 387389981 /nfs/dbraw/zinc/38/99/81/387389981.db2.gz SJWVONILLNRAFW-YUMQZZPRSA-N 1 2 208.261 1.860 20 0 BDADLO C[NH2+][C@@H](C)CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000423643922 387391895 /nfs/dbraw/zinc/39/18/95/387391895.db2.gz XTPCTZZRRUDSLC-LURJTMIESA-N 1 2 244.241 1.008 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC[C@H]1CCOC1 ZINC000515621177 387402293 /nfs/dbraw/zinc/40/22/93/387402293.db2.gz DMXXTPYKIYSYLD-VIFPVBQESA-N 1 2 247.302 1.295 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](c3ccco3)C2)no1 ZINC000374007866 387408841 /nfs/dbraw/zinc/40/88/41/387408841.db2.gz LJUKLZDGAIZPEX-JTQLQIEISA-N 1 2 233.271 1.961 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](c3ccco3)C2)no1 ZINC000374007866 387408846 /nfs/dbraw/zinc/40/88/46/387408846.db2.gz LJUKLZDGAIZPEX-JTQLQIEISA-N 1 2 233.271 1.961 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000361183193 387412645 /nfs/dbraw/zinc/41/26/45/387412645.db2.gz PRQJOJISNDYNLV-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000361183193 387412651 /nfs/dbraw/zinc/41/26/51/387412651.db2.gz PRQJOJISNDYNLV-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(=O)[O-] ZINC000515650476 387413535 /nfs/dbraw/zinc/41/35/35/387413535.db2.gz WOZRTCGICDSAJE-GFCCVEGCSA-N 1 2 236.315 1.775 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000515668554 387416520 /nfs/dbraw/zinc/41/65/20/387416520.db2.gz INUKMEPYCPHATM-GARJFASQSA-N 1 2 235.331 1.988 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000515668554 387416526 /nfs/dbraw/zinc/41/65/26/387416526.db2.gz INUKMEPYCPHATM-GARJFASQSA-N 1 2 235.331 1.988 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000515668556 387416537 /nfs/dbraw/zinc/41/65/37/387416537.db2.gz INUKMEPYCPHATM-MXWKQRLJSA-N 1 2 235.331 1.988 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000515668556 387416544 /nfs/dbraw/zinc/41/65/44/387416544.db2.gz INUKMEPYCPHATM-MXWKQRLJSA-N 1 2 235.331 1.988 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1F)N1CCC1 ZINC000374066715 387417214 /nfs/dbraw/zinc/41/72/14/387417214.db2.gz PHYLTJMZRXJXGS-CYBMUJFWSA-N 1 2 248.301 1.805 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1F)N1CCC1 ZINC000374066715 387417217 /nfs/dbraw/zinc/41/72/17/387417217.db2.gz PHYLTJMZRXJXGS-CYBMUJFWSA-N 1 2 248.301 1.805 20 0 BDADLO Cc1nc(C)c(C[NH+]2CC(n3ccnn3)C2)s1 ZINC000354999452 387461094 /nfs/dbraw/zinc/46/10/94/387461094.db2.gz LHNVTSKIOWMXLB-UHFFFAOYSA-N 1 2 249.343 1.408 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000374092095 387420054 /nfs/dbraw/zinc/42/00/54/387420054.db2.gz CMDPLFHFNVVCNA-NEPJUHHUSA-N 1 2 239.315 1.670 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000374092095 387420058 /nfs/dbraw/zinc/42/00/58/387420058.db2.gz CMDPLFHFNVVCNA-NEPJUHHUSA-N 1 2 239.315 1.670 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352657396 387421652 /nfs/dbraw/zinc/42/16/52/387421652.db2.gz ADZHVRBGOCMVQA-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)no1 ZINC000352657396 387421655 /nfs/dbraw/zinc/42/16/55/387421655.db2.gz ADZHVRBGOCMVQA-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO Cc1nc(C)c(NCCn2cc[nH+]c2)nc1C ZINC000396811728 387499556 /nfs/dbraw/zinc/49/95/56/387499556.db2.gz PTANXWQNJPEVIO-UHFFFAOYSA-N 1 2 231.303 1.710 20 0 BDADLO CCN(CC1CC1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000361610419 387510436 /nfs/dbraw/zinc/51/04/36/387510436.db2.gz MUQQUYKUHVFAQO-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO CCN(CC1CC1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000361610419 387510441 /nfs/dbraw/zinc/51/04/41/387510441.db2.gz MUQQUYKUHVFAQO-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO C=Cn1cc(C[N@@H+](C)Cc2ccnn2C)cn1 ZINC000355283798 387511166 /nfs/dbraw/zinc/51/11/66/387511166.db2.gz CKYPKLWPSIWVFI-UHFFFAOYSA-N 1 2 231.303 1.349 20 0 BDADLO C=Cn1cc(C[N@H+](C)Cc2ccnn2C)cn1 ZINC000355283798 387511169 /nfs/dbraw/zinc/51/11/69/387511169.db2.gz CKYPKLWPSIWVFI-UHFFFAOYSA-N 1 2 231.303 1.349 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C(F)(F)F ZINC000361632075 387512659 /nfs/dbraw/zinc/51/26/59/387512659.db2.gz RPCFGGZABBHVEC-NKWVEPMBSA-N 1 2 227.226 1.678 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(F)(F)F ZINC000361632075 387512664 /nfs/dbraw/zinc/51/26/64/387512664.db2.gz RPCFGGZABBHVEC-NKWVEPMBSA-N 1 2 227.226 1.678 20 0 BDADLO CCCc1ncc(CNC(=O)Cn2cc[nH+]c2)o1 ZINC000516481802 387514802 /nfs/dbraw/zinc/51/48/02/387514802.db2.gz QIFUNWZOFWJPJR-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO CCS(=O)(=O)CC[NH+]1CC2(C1)CCCCC2 ZINC000375184614 387516447 /nfs/dbraw/zinc/51/64/47/387516447.db2.gz QORRKFNSMUMESK-UHFFFAOYSA-N 1 2 245.388 1.687 20 0 BDADLO CON(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375243802 387518946 /nfs/dbraw/zinc/51/89/46/387518946.db2.gz BIIKXBRSZBIAOO-GHMZBOCLSA-N 1 2 249.314 1.174 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375317970 387528009 /nfs/dbraw/zinc/52/80/09/387528009.db2.gz JCGFAUBXQHWDPH-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000375317970 387528014 /nfs/dbraw/zinc/52/80/14/387528014.db2.gz JCGFAUBXQHWDPH-NSHDSACASA-N 1 2 240.347 1.012 20 0 BDADLO COCc1cnc(C[N@H+](C)C2CC(O)C2)s1 ZINC000355369219 387528471 /nfs/dbraw/zinc/52/84/71/387528471.db2.gz LHXJJKBSYCWRTA-UHFFFAOYSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1cnc(C[N@@H+](C)C2CC(O)C2)s1 ZINC000355369219 387528475 /nfs/dbraw/zinc/52/84/75/387528475.db2.gz LHXJJKBSYCWRTA-UHFFFAOYSA-N 1 2 242.344 1.245 20 0 BDADLO Cc1cc(C)c(CNc2cnccn2)c[nH+]1 ZINC000396990429 387529578 /nfs/dbraw/zinc/52/95/78/387529578.db2.gz AMPQDMXPPDMWNX-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H](CC)OC)C1CC1 ZINC000397002898 387531195 /nfs/dbraw/zinc/53/11/95/387531195.db2.gz IWPKOZIGMJAEDY-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H](CC)OC)C1CC1 ZINC000397002898 387531199 /nfs/dbraw/zinc/53/11/99/387531199.db2.gz IWPKOZIGMJAEDY-LLVKDONJSA-N 1 2 229.320 1.439 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000122462362 387532297 /nfs/dbraw/zinc/53/22/97/387532297.db2.gz CXXFZSCSGLIMQJ-RKDXNWHRSA-N 1 2 209.293 1.856 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000122462362 387532302 /nfs/dbraw/zinc/53/23/02/387532302.db2.gz CXXFZSCSGLIMQJ-RKDXNWHRSA-N 1 2 209.293 1.856 20 0 BDADLO COC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000375387711 387537428 /nfs/dbraw/zinc/53/74/28/387537428.db2.gz BAFSJEHUXPQBLR-PWSUYJOCSA-N 1 2 246.314 1.519 20 0 BDADLO Cc1cc(NC(=O)NC(CF)CF)c(C)c[nH+]1 ZINC000516152710 387464062 /nfs/dbraw/zinc/46/40/62/387464062.db2.gz FRVCWJUAARICOI-UHFFFAOYSA-N 1 2 243.257 1.549 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc3occc3c2)n1 ZINC000352738059 387464411 /nfs/dbraw/zinc/46/44/11/387464411.db2.gz LYWULYRDGVMARH-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000421896697 387469864 /nfs/dbraw/zinc/46/98/64/387469864.db2.gz UFXRAVHPBLHEBV-ZWNOBZJWSA-N 1 2 233.315 1.709 20 0 BDADLO COC[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000355070416 387474702 /nfs/dbraw/zinc/47/47/02/387474702.db2.gz ZPGZPBDLRCIKSF-QCNOEVLYSA-N 1 2 243.347 1.589 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361515929 387476084 /nfs/dbraw/zinc/47/60/84/387476084.db2.gz MOHMGLQGOBBRRJ-CHWSQXEVSA-N 1 2 247.294 1.455 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000361515929 387476091 /nfs/dbraw/zinc/47/60/91/387476091.db2.gz MOHMGLQGOBBRRJ-CHWSQXEVSA-N 1 2 247.294 1.455 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccncc1)CC2 ZINC000374646478 387476062 /nfs/dbraw/zinc/47/60/62/387476062.db2.gz LIZCYANSGPUYAY-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccncc1)CC2 ZINC000374646478 387476070 /nfs/dbraw/zinc/47/60/70/387476070.db2.gz LIZCYANSGPUYAY-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+]CC1(O)CCC1 ZINC000336630101 387482372 /nfs/dbraw/zinc/48/23/72/387482372.db2.gz KNFOGPLLULDTHW-UHFFFAOYSA-N 1 2 249.289 1.461 20 0 BDADLO COc1nccnc1C[N@H+]1CC=CCC1 ZINC000648505002 387484960 /nfs/dbraw/zinc/48/49/60/387484960.db2.gz LUKYVQKVYGLTRC-UHFFFAOYSA-N 1 2 205.261 1.247 20 0 BDADLO COc1nccnc1C[N@@H+]1CC=CCC1 ZINC000648505002 387484969 /nfs/dbraw/zinc/48/49/69/387484969.db2.gz LUKYVQKVYGLTRC-UHFFFAOYSA-N 1 2 205.261 1.247 20 0 BDADLO CC[N@H+](C[C@H](C)OC)[C@H](C)c1noc(C)n1 ZINC000361566191 387492016 /nfs/dbraw/zinc/49/20/16/387492016.db2.gz SHKWXWXGQXDSSQ-DTWKUNHWSA-N 1 2 227.308 1.796 20 0 BDADLO CC[N@@H+](C[C@H](C)OC)[C@H](C)c1noc(C)n1 ZINC000361566191 387492020 /nfs/dbraw/zinc/49/20/20/387492020.db2.gz SHKWXWXGQXDSSQ-DTWKUNHWSA-N 1 2 227.308 1.796 20 0 BDADLO CCCn1ncnc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000336789825 387582123 /nfs/dbraw/zinc/58/21/23/387582123.db2.gz UXDVKZJSMKGHHB-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000362183655 387582381 /nfs/dbraw/zinc/58/23/81/387582381.db2.gz QEBVTKSWPWXEIF-CMPLNLGQSA-N 1 2 219.284 1.995 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000362183655 387582383 /nfs/dbraw/zinc/58/23/83/387582383.db2.gz QEBVTKSWPWXEIF-CMPLNLGQSA-N 1 2 219.284 1.995 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000362283693 387593114 /nfs/dbraw/zinc/59/31/14/387593114.db2.gz SBFNILYNSINUEW-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCC(F)(F)F ZINC000362283693 387593117 /nfs/dbraw/zinc/59/31/17/387593117.db2.gz SBFNILYNSINUEW-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[N@H+](Cc1cncs1)[C@@H]1CCCCNC1=O ZINC000123848210 387595542 /nfs/dbraw/zinc/59/55/42/387595542.db2.gz JYNVHLBXSHRLRG-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO C[N@@H+](Cc1cncs1)[C@@H]1CCCCNC1=O ZINC000123848210 387595545 /nfs/dbraw/zinc/59/55/45/387595545.db2.gz JYNVHLBXSHRLRG-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H](C)CO)o1 ZINC000305423749 387604560 /nfs/dbraw/zinc/60/45/60/387604560.db2.gz AQGHIWXOIVNCMH-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)CO)o1 ZINC000305423749 387604562 /nfs/dbraw/zinc/60/45/62/387604562.db2.gz AQGHIWXOIVNCMH-QMMMGPOBSA-N 1 2 213.281 1.006 20 0 BDADLO Cc1nc(C[N@@H+]2CCC3(CCC3)C2)no1 ZINC000122834532 387606722 /nfs/dbraw/zinc/60/67/22/387606722.db2.gz PBRIEWVNBDEUPW-UHFFFAOYSA-N 1 2 207.277 1.754 20 0 BDADLO Cc1nc(C[N@H+]2CCC3(CCC3)C2)no1 ZINC000122834532 387606724 /nfs/dbraw/zinc/60/67/24/387606724.db2.gz PBRIEWVNBDEUPW-UHFFFAOYSA-N 1 2 207.277 1.754 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)ccn1 ZINC000527539106 387609133 /nfs/dbraw/zinc/60/91/33/387609133.db2.gz ODWRXMQDANRDGU-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)ccn1 ZINC000527539106 387609139 /nfs/dbraw/zinc/60/91/39/387609139.db2.gz ODWRXMQDANRDGU-QWHCGFSZSA-N 1 2 233.359 1.914 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)ccn1 ZINC000527540423 387610451 /nfs/dbraw/zinc/61/04/51/387610451.db2.gz RZENURMQOVVZQU-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)ccn1 ZINC000527540423 387610455 /nfs/dbraw/zinc/61/04/55/387610455.db2.gz RZENURMQOVVZQU-NSHDSACASA-N 1 2 206.289 1.611 20 0 BDADLO C[C@@H](O)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000305687200 387626944 /nfs/dbraw/zinc/62/69/44/387626944.db2.gz APTVJFCLGJBDCA-SECBINFHSA-N 1 2 231.255 1.192 20 0 BDADLO CS(=O)(=O)Nc1ccc([NH2+]CC2CC2)cc1 ZINC000037077093 387559863 /nfs/dbraw/zinc/55/98/63/387559863.db2.gz NIOGJNFCTRWEJG-UHFFFAOYSA-N 1 2 240.328 1.880 20 0 BDADLO CC[C@H]([NH2+]CCc1ccc(C)cn1)C(=O)OC ZINC000399751044 387567213 /nfs/dbraw/zinc/56/72/13/387567213.db2.gz MYNHHWXDSPHENC-LBPRGKRZSA-N 1 2 236.315 1.474 20 0 BDADLO CC(=O)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121388138 387575269 /nfs/dbraw/zinc/57/52/69/387575269.db2.gz YVEYRVHGWXZLDQ-LBPRGKRZSA-N 1 2 223.272 1.632 20 0 BDADLO CC(=O)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121388138 387575272 /nfs/dbraw/zinc/57/52/72/387575272.db2.gz YVEYRVHGWXZLDQ-LBPRGKRZSA-N 1 2 223.272 1.632 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000356229562 387631727 /nfs/dbraw/zinc/63/17/27/387631727.db2.gz YRFDXOVRPWXEKE-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000356229562 387631731 /nfs/dbraw/zinc/63/17/31/387631731.db2.gz YRFDXOVRPWXEKE-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000356229562 387631734 /nfs/dbraw/zinc/63/17/34/387631734.db2.gz YRFDXOVRPWXEKE-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000356229562 387631736 /nfs/dbraw/zinc/63/17/36/387631736.db2.gz YRFDXOVRPWXEKE-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO C/C(=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000376534874 387648752 /nfs/dbraw/zinc/64/87/52/387648752.db2.gz ISAPIAQOAKJANU-OALRPVAKSA-N 1 2 245.326 1.740 20 0 BDADLO CC(=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000376534874 387648758 /nfs/dbraw/zinc/64/87/58/387648758.db2.gz ISAPIAQOAKJANU-OALRPVAKSA-N 1 2 245.326 1.740 20 0 BDADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccco1 ZINC000125720720 387664523 /nfs/dbraw/zinc/66/45/23/387664523.db2.gz VZINQDJWTDUVHR-GHMZBOCLSA-N 1 2 239.271 1.042 20 0 BDADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccco1 ZINC000125720720 387664525 /nfs/dbraw/zinc/66/45/25/387664525.db2.gz VZINQDJWTDUVHR-GHMZBOCLSA-N 1 2 239.271 1.042 20 0 BDADLO Cn1cc[nH+]c1CSc1nnc(N)s1 ZINC000036804832 387667685 /nfs/dbraw/zinc/66/76/85/387667685.db2.gz SRWKILCXJFCMDA-UHFFFAOYSA-N 1 2 227.318 1.146 20 0 BDADLO CCC[N@H+](C)Cc1ncnn1CCF ZINC000440708155 387673928 /nfs/dbraw/zinc/67/39/28/387673928.db2.gz XJABXZONJMYLDJ-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO CCC[N@@H+](C)Cc1ncnn1CCF ZINC000440708155 387673932 /nfs/dbraw/zinc/67/39/32/387673932.db2.gz XJABXZONJMYLDJ-UHFFFAOYSA-N 1 2 200.261 1.089 20 0 BDADLO C[C@H]([NH2+]C1COC1)c1cn(-c2ccccc2)nn1 ZINC000376859469 387677382 /nfs/dbraw/zinc/67/73/82/387677382.db2.gz MJWLLAUPZMFGLZ-JTQLQIEISA-N 1 2 244.298 1.317 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000440783120 387696226 /nfs/dbraw/zinc/69/62/26/387696226.db2.gz LWZQCRDCLOYXAA-NSHDSACASA-N 1 2 240.326 1.290 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(C)o2)n1 ZINC000527736963 387684036 /nfs/dbraw/zinc/68/40/36/387684036.db2.gz SNHXZQJWCSVSEF-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO Cc1cnn(C2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000363002342 387685190 /nfs/dbraw/zinc/68/51/90/387685190.db2.gz ZHKAUDORSJBUFC-UHFFFAOYSA-N 1 2 245.330 1.752 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000126536359 387687239 /nfs/dbraw/zinc/68/72/39/387687239.db2.gz MCPBCDLOAVUSIW-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cn1 ZINC000126536359 387687246 /nfs/dbraw/zinc/68/72/46/387687246.db2.gz MCPBCDLOAVUSIW-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H](F)C[N@H+](C)C(C)(C)C(=O)OC ZINC000440768125 387689375 /nfs/dbraw/zinc/68/93/75/387689375.db2.gz VZZYNXHSJGHHPR-QMMMGPOBSA-N 1 2 205.273 1.618 20 0 BDADLO CC[C@H](F)C[N@@H+](C)C(C)(C)C(=O)OC ZINC000440768125 387689381 /nfs/dbraw/zinc/68/93/81/387689381.db2.gz VZZYNXHSJGHHPR-QMMMGPOBSA-N 1 2 205.273 1.618 20 0 BDADLO CSCC[N@H+](C)Cc1csnn1 ZINC000128215317 387743116 /nfs/dbraw/zinc/74/31/16/387743116.db2.gz TWRAMKMSKGJGFA-UHFFFAOYSA-N 1 2 203.336 1.333 20 0 BDADLO CSCC[N@@H+](C)Cc1csnn1 ZINC000128215317 387743118 /nfs/dbraw/zinc/74/31/18/387743118.db2.gz TWRAMKMSKGJGFA-UHFFFAOYSA-N 1 2 203.336 1.333 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ncccc1F ZINC000527826667 387745613 /nfs/dbraw/zinc/74/56/13/387745613.db2.gz QWUVSVCSNFSTFO-QMMMGPOBSA-N 1 2 220.251 1.795 20 0 BDADLO Cc1nc(NCc2ccc3c(c2)COC3)cc[nH+]1 ZINC000432046450 387745863 /nfs/dbraw/zinc/74/58/63/387745863.db2.gz LYDVALFBDREJHM-UHFFFAOYSA-N 1 2 241.294 1.849 20 0 BDADLO CC[N@H+](CCCO)Cc1noc(C(C)C)n1 ZINC000128486209 387748320 /nfs/dbraw/zinc/74/83/20/387748320.db2.gz CWMGDYJFPINURQ-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC[N@@H+](CCCO)Cc1noc(C(C)C)n1 ZINC000128486209 387748323 /nfs/dbraw/zinc/74/83/23/387748323.db2.gz CWMGDYJFPINURQ-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CCC[C@]1(CO)CC[N@H+](Cc2csnn2)C1 ZINC000377853380 387753556 /nfs/dbraw/zinc/75/35/56/387753556.db2.gz ZNSRQOKGKHSXRT-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO CCC[C@]1(CO)CC[N@@H+](Cc2csnn2)C1 ZINC000377853380 387753562 /nfs/dbraw/zinc/75/35/62/387753562.db2.gz ZNSRQOKGKHSXRT-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000377196824 387699154 /nfs/dbraw/zinc/69/91/54/387699154.db2.gz OINNUHIRGSDVHN-SFYZADRCSA-N 1 2 225.317 1.154 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1c1nccs1 ZINC000377196824 387699158 /nfs/dbraw/zinc/69/91/58/387699158.db2.gz OINNUHIRGSDVHN-SFYZADRCSA-N 1 2 225.317 1.154 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[C@H]1C ZINC000431315371 387700675 /nfs/dbraw/zinc/70/06/75/387700675.db2.gz XXOLGVKDMAIXJE-MWLCHTKSSA-N 1 2 249.314 1.688 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](CC)C(=O)OC ZINC000452020505 387702274 /nfs/dbraw/zinc/70/22/74/387702274.db2.gz NDTXRTZLPPYQTO-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO c1snnc1C[N@@H+]1CCC2(CCC2)C1 ZINC000127154882 387706289 /nfs/dbraw/zinc/70/62/89/387706289.db2.gz HGMWQPSQACPRFR-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO c1snnc1C[N@H+]1CCC2(CCC2)C1 ZINC000127154882 387706295 /nfs/dbraw/zinc/70/62/95/387706295.db2.gz HGMWQPSQACPRFR-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1nnc(C)s1 ZINC000452040273 387707707 /nfs/dbraw/zinc/70/77/07/387707707.db2.gz QFCZKJMYAJOJFW-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1nnc(C)s1 ZINC000452040273 387707710 /nfs/dbraw/zinc/70/77/10/387707710.db2.gz QFCZKJMYAJOJFW-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377449982 387718316 /nfs/dbraw/zinc/71/83/16/387718316.db2.gz YIRYZJVXEGTCFW-IUCAKERBSA-N 1 2 243.270 1.257 20 0 BDADLO c1ccc(N[C@@H]2CCO[C@@]3(CCOC3)C2)[nH+]c1 ZINC000367521788 387721428 /nfs/dbraw/zinc/72/14/28/387721428.db2.gz YVXSPCKHJJFONA-YPMHNXCESA-N 1 2 234.299 1.832 20 0 BDADLO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cocn1 ZINC000527800639 387723216 /nfs/dbraw/zinc/72/32/16/387723216.db2.gz CPEUXABGYUSBMD-MNOVXSKESA-N 1 2 210.277 1.720 20 0 BDADLO Cc1noc(CN2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000377555415 387727984 /nfs/dbraw/zinc/72/79/84/387727984.db2.gz BQFQNINTOQUIBL-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC[C@H]2C)o1 ZINC000367646740 387738984 /nfs/dbraw/zinc/73/89/84/387738984.db2.gz URFDZUSUPMZEOY-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC[C@H]2C)o1 ZINC000367646740 387738987 /nfs/dbraw/zinc/73/89/87/387738987.db2.gz URFDZUSUPMZEOY-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188722243 387739918 /nfs/dbraw/zinc/73/99/18/387739918.db2.gz WAIHDTRKPQWLNB-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCO1 ZINC000188722243 387739920 /nfs/dbraw/zinc/73/99/20/387739920.db2.gz WAIHDTRKPQWLNB-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)C1CC1 ZINC000441278722 387741717 /nfs/dbraw/zinc/74/17/17/387741717.db2.gz PZUHPBNNJIXYDW-SRVKXCTJSA-N 1 2 241.331 1.485 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cn2ccnc2s1 ZINC000442643339 387812149 /nfs/dbraw/zinc/81/21/49/387812149.db2.gz CTJKDCFLHRIHPX-UHFFFAOYSA-N 1 2 247.283 1.049 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cn2ccnc2s1 ZINC000442643339 387812155 /nfs/dbraw/zinc/81/21/55/387812155.db2.gz CTJKDCFLHRIHPX-UHFFFAOYSA-N 1 2 247.283 1.049 20 0 BDADLO COC[C@@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000527890960 387773876 /nfs/dbraw/zinc/77/38/76/387773876.db2.gz CNHNPRFNQBXDHB-LLVKDONJSA-N 1 2 236.315 1.953 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378304105 387774277 /nfs/dbraw/zinc/77/42/77/387774277.db2.gz CJKPWVGMEGXAKU-IMSIIYSGSA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378304105 387774281 /nfs/dbraw/zinc/77/42/81/387774281.db2.gz CJKPWVGMEGXAKU-IMSIIYSGSA-N 1 2 247.342 1.819 20 0 BDADLO COc1ccc[nH+]c1NCC1(C(N)=O)CCCC1 ZINC000527894328 387776122 /nfs/dbraw/zinc/77/61/22/387776122.db2.gz LKTPCZJHOVLFSC-UHFFFAOYSA-N 1 2 249.314 1.548 20 0 BDADLO c1coc([C@H]2COCC[N@H+]2CC2=CCCOC2)c1 ZINC000378340476 387776599 /nfs/dbraw/zinc/77/65/99/387776599.db2.gz HVBJLIIBKHZGJV-CYBMUJFWSA-N 1 2 249.310 2.000 20 0 BDADLO c1coc([C@H]2COCC[N@@H+]2CC2=CCCOC2)c1 ZINC000378340476 387776603 /nfs/dbraw/zinc/77/66/03/387776603.db2.gz HVBJLIIBKHZGJV-CYBMUJFWSA-N 1 2 249.310 2.000 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC=C(c2cccnc2)CC1 ZINC000378346265 387778323 /nfs/dbraw/zinc/77/83/23/387778323.db2.gz DSAVSCBAAIARPZ-CYBMUJFWSA-N 1 2 244.294 1.486 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000378346265 387778328 /nfs/dbraw/zinc/77/83/28/387778328.db2.gz DSAVSCBAAIARPZ-CYBMUJFWSA-N 1 2 244.294 1.486 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)o1 ZINC000378347021 387778432 /nfs/dbraw/zinc/77/84/32/387778432.db2.gz UFIOQFOFCFXMDM-SNVBAGLBSA-N 1 2 236.271 1.224 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)o1 ZINC000378347021 387778438 /nfs/dbraw/zinc/77/84/38/387778438.db2.gz UFIOQFOFCFXMDM-SNVBAGLBSA-N 1 2 236.271 1.224 20 0 BDADLO CC=CC=CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378387728 387781459 /nfs/dbraw/zinc/78/14/59/387781459.db2.gz FGPGOZHESGBJKQ-FQTVTVBISA-N 1 2 231.299 1.516 20 0 BDADLO CC=CC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378387728 387781466 /nfs/dbraw/zinc/78/14/66/387781466.db2.gz FGPGOZHESGBJKQ-FQTVTVBISA-N 1 2 231.299 1.516 20 0 BDADLO CCc1ccc(C[NH2+]Cc2nncn2CC)o1 ZINC000130661548 387782472 /nfs/dbraw/zinc/78/24/72/387782472.db2.gz LACORUCRXMTNEC-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO Cc1nnc(C[N@H+]2CCOC[C@H](C)C2)s1 ZINC000378394422 387783938 /nfs/dbraw/zinc/78/39/38/387783938.db2.gz JQWQVFUQFWIKLK-MRVPVSSYSA-N 1 2 227.333 1.315 20 0 BDADLO Cc1nnc(C[N@@H+]2CCOC[C@H](C)C2)s1 ZINC000378394422 387783941 /nfs/dbraw/zinc/78/39/41/387783941.db2.gz JQWQVFUQFWIKLK-MRVPVSSYSA-N 1 2 227.333 1.315 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000527914424 387786732 /nfs/dbraw/zinc/78/67/32/387786732.db2.gz KEGJITLNTDDMBC-JTQLQIEISA-N 1 2 248.334 1.191 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC ZINC000049956402 387789695 /nfs/dbraw/zinc/78/96/95/387789695.db2.gz MKBLKHMRPPEIBE-SNVBAGLBSA-N 1 2 237.299 1.689 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000049956402 387789703 /nfs/dbraw/zinc/78/97/03/387789703.db2.gz MKBLKHMRPPEIBE-SNVBAGLBSA-N 1 2 237.299 1.689 20 0 BDADLO CCc1ncsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000442153748 387790491 /nfs/dbraw/zinc/79/04/91/387790491.db2.gz SVYOHKINMZHFEE-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO CCc1ncsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000442153748 387790498 /nfs/dbraw/zinc/79/04/98/387790498.db2.gz SVYOHKINMZHFEE-UHFFFAOYSA-N 1 2 236.300 1.359 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000050506574 387795730 /nfs/dbraw/zinc/79/57/30/387795730.db2.gz JKIKKBKEXJXQKN-AAEUAGOBSA-N 1 2 249.310 1.527 20 0 BDADLO CS(=O)(=O)CCCCNc1cccc[nH+]1 ZINC000425264947 387799027 /nfs/dbraw/zinc/79/90/27/387799027.db2.gz RYWYMPOPMUDKJK-UHFFFAOYSA-N 1 2 228.317 1.318 20 0 BDADLO CC(C)CCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000422997312 387801770 /nfs/dbraw/zinc/80/17/70/387801770.db2.gz VAGHSOHIDNSYFG-JTQLQIEISA-N 1 2 241.360 1.695 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]ccc1OC ZINC000452156467 387759100 /nfs/dbraw/zinc/75/91/00/387759100.db2.gz CWCVEETVLSAZFC-MWLCHTKSSA-N 1 2 234.299 1.753 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC12CCOCC2 ZINC000378014580 387761647 /nfs/dbraw/zinc/76/16/47/387761647.db2.gz XPHGJNZTZCNMHV-NSHDSACASA-N 1 2 246.310 1.567 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1CC[C@@H](CO)O1 ZINC000528025246 387830563 /nfs/dbraw/zinc/83/05/63/387830563.db2.gz IAFQANJPCUCCOH-ZJUUUORDSA-N 1 2 238.287 1.042 20 0 BDADLO Cc1cc(N(C)[C@@H](CO)COC(C)C)nc[nH+]1 ZINC000432866333 387833951 /nfs/dbraw/zinc/83/39/51/387833951.db2.gz LLTFUGAOLDNXNZ-NSHDSACASA-N 1 2 239.319 1.007 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061744315 387846024 /nfs/dbraw/zinc/84/60/24/387846024.db2.gz DNXJINDQSABYON-GRYCIOLGSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061744315 387846030 /nfs/dbraw/zinc/84/60/30/387846030.db2.gz DNXJINDQSABYON-GRYCIOLGSA-N 1 2 242.363 1.256 20 0 BDADLO Cc1nc(N[C@]23C[C@H]2COC3(C)C)cc[nH+]1 ZINC000528128064 387850409 /nfs/dbraw/zinc/85/04/09/387850409.db2.gz LRQWSFPXEJDAGF-JOYOIKCWSA-N 1 2 219.288 1.764 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCCc1c[nH+]cn1C ZINC000582577069 387851615 /nfs/dbraw/zinc/85/16/15/387851615.db2.gz JHWSIXPLGRFHLQ-VHSXEESVSA-N 1 2 221.304 1.125 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000442881234 387855337 /nfs/dbraw/zinc/85/53/37/387855337.db2.gz MCUMPLAQJJQKKY-JQWIXIFHSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000442881234 387855339 /nfs/dbraw/zinc/85/53/39/387855339.db2.gz MCUMPLAQJJQKKY-JQWIXIFHSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000442881232 387855932 /nfs/dbraw/zinc/85/59/32/387855932.db2.gz MCUMPLAQJJQKKY-CMPLNLGQSA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@](C)(CC)C1 ZINC000442881232 387855936 /nfs/dbraw/zinc/85/59/36/387855936.db2.gz MCUMPLAQJJQKKY-CMPLNLGQSA-N 1 2 229.320 1.439 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@H]1C ZINC000452571750 387862332 /nfs/dbraw/zinc/86/23/32/387862332.db2.gz PKSZRUSMZSQZQQ-ZJUUUORDSA-N 1 2 221.304 1.565 20 0 BDADLO CCOC[C@@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000528188924 387867643 /nfs/dbraw/zinc/86/76/43/387867643.db2.gz GZIUVDJJXNQUFM-NSHDSACASA-N 1 2 237.303 1.027 20 0 BDADLO COc1ccc[nH+]c1NC1CCN(OC)CC1 ZINC000528037069 387817588 /nfs/dbraw/zinc/81/75/88/387817588.db2.gz BIAWXOBGGBQLNU-UHFFFAOYSA-N 1 2 237.303 1.528 20 0 BDADLO O=C(c1cn[nH]c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000194703694 387894020 /nfs/dbraw/zinc/89/40/20/387894020.db2.gz CLRJWSFYKJERLU-SNVBAGLBSA-N 1 2 245.286 1.500 20 0 BDADLO O=C(CC1CC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424182435 387897551 /nfs/dbraw/zinc/89/75/51/387897551.db2.gz ZFUNDHILLANLCV-VIFPVBQESA-N 1 2 232.274 1.148 20 0 BDADLO CCOCC[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000444650038 387897686 /nfs/dbraw/zinc/89/76/86/387897686.db2.gz BRJIUFOREFUFJQ-SNVBAGLBSA-N 1 2 239.306 1.749 20 0 BDADLO CCOCC[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000444650038 387897690 /nfs/dbraw/zinc/89/76/90/387897690.db2.gz BRJIUFOREFUFJQ-SNVBAGLBSA-N 1 2 239.306 1.749 20 0 BDADLO CC[N@@H+](C/C=C/Cl)CCS(C)(=O)=O ZINC000154267412 387898003 /nfs/dbraw/zinc/89/80/03/387898003.db2.gz XUHCJSPAQGYDNX-SNAWJCMRSA-N 1 2 225.741 1.105 20 0 BDADLO CC[N@H+](C/C=C/Cl)CCS(C)(=O)=O ZINC000154267412 387898010 /nfs/dbraw/zinc/89/80/10/387898010.db2.gz XUHCJSPAQGYDNX-SNAWJCMRSA-N 1 2 225.741 1.105 20 0 BDADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)CC=CCC1 ZINC000448695509 387876249 /nfs/dbraw/zinc/87/62/49/387876249.db2.gz XUEFBCZYMNNTIG-ZDUSSCGKSA-N 1 2 233.315 1.746 20 0 BDADLO CCc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)cc1 ZINC000194425991 387881768 /nfs/dbraw/zinc/88/17/68/387881768.db2.gz QGULYEPJIARTQD-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO CC(C)c1nc(NCC2COC2)cc[nH+]1 ZINC000528224592 387882894 /nfs/dbraw/zinc/88/28/94/387882894.db2.gz BVHSFGVAXCTMQQ-UHFFFAOYSA-N 1 2 207.277 1.080 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccncc2)n1 ZINC000424176846 387886917 /nfs/dbraw/zinc/88/69/17/387886917.db2.gz YSPNXJWGYWGZDT-UHFFFAOYSA-N 1 2 230.271 1.170 20 0 BDADLO CC[C@H](O)CCNc1cc[nH+]c(C2CC2)n1 ZINC000154672599 387901184 /nfs/dbraw/zinc/90/11/84/387901184.db2.gz LRAJMVILDRUGSO-JTQLQIEISA-N 1 2 221.304 1.927 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c[nH+]1 ZINC000265915627 387906583 /nfs/dbraw/zinc/90/65/83/387906583.db2.gz CKFCDWYEMGNPMF-GDPRMGEGSA-N 1 2 249.314 1.261 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)nn1 ZINC000424197291 387921826 /nfs/dbraw/zinc/92/18/26/387921826.db2.gz NWMAUZKERAOJQX-OLZOCXBDSA-N 1 2 246.289 1.542 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)C1CC1 ZINC000438853323 387958405 /nfs/dbraw/zinc/95/84/05/387958405.db2.gz OTLSCBWSPQKWOJ-DDHJBXDOSA-N 1 2 239.315 1.095 20 0 BDADLO COc1ccnc(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000424307597 387964074 /nfs/dbraw/zinc/96/40/74/387964074.db2.gz LXZAHRQWWLEXGI-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO Cc1cnc(CNc2cccc(CO)[nH+]2)s1 ZINC000453047717 387970954 /nfs/dbraw/zinc/97/09/54/387970954.db2.gz JPLAQGXUSCUPAT-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO Cc1nc(NCc2c(C)[nH+]c3ccccn32)n[nH]1 ZINC000453049415 387971309 /nfs/dbraw/zinc/97/13/09/387971309.db2.gz QMPDULUYWRQXIS-UHFFFAOYSA-N 1 2 242.286 1.103 20 0 BDADLO Cc1cc(N(C)CCN(C)CC(F)F)nc[nH+]1 ZINC000439121326 387980986 /nfs/dbraw/zinc/98/09/86/387980986.db2.gz VDZSBLUHQGEHSC-UHFFFAOYSA-N 1 2 244.289 1.418 20 0 BDADLO COC[C@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000445848217 387974936 /nfs/dbraw/zinc/97/49/36/387974936.db2.gz IOBDAWKPNCDZHH-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)s1 ZINC000446060149 387987473 /nfs/dbraw/zinc/98/74/73/387987473.db2.gz LUYLONASUPJNNY-VIFPVBQESA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](O)C(C)(C)C2)s1 ZINC000446060149 387987476 /nfs/dbraw/zinc/98/74/76/387987476.db2.gz LUYLONASUPJNNY-VIFPVBQESA-N 1 2 241.360 1.439 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245860030 387987958 /nfs/dbraw/zinc/98/79/58/387987958.db2.gz KPTNLWYLAMXLTR-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000245860030 387987961 /nfs/dbraw/zinc/98/79/61/387987961.db2.gz KPTNLWYLAMXLTR-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H](CC(N)=O)[NH2+]c1ccc2c(c1)CCN2 ZINC000423208697 387993371 /nfs/dbraw/zinc/99/33/71/387993371.db2.gz DKRFWBVBSHTVRG-MRVPVSSYSA-N 1 2 219.288 1.330 20 0 BDADLO C[C@H](CC(N)=O)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423208697 387993377 /nfs/dbraw/zinc/99/33/77/387993377.db2.gz DKRFWBVBSHTVRG-MRVPVSSYSA-N 1 2 219.288 1.330 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@@H](C)[C@@H](C)O1 ZINC000446071757 387995707 /nfs/dbraw/zinc/99/57/07/387995707.db2.gz RHLYUKKODORDMK-OUAUKWLOSA-N 1 2 242.363 1.399 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@@H](C)[C@@H](C)O1 ZINC000446071757 387995710 /nfs/dbraw/zinc/99/57/10/387995710.db2.gz RHLYUKKODORDMK-OUAUKWLOSA-N 1 2 242.363 1.399 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446080649 387997330 /nfs/dbraw/zinc/99/73/30/387997330.db2.gz SPIWFYUFKVDIHN-IVZWLZJFSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446080649 387997332 /nfs/dbraw/zinc/99/73/32/387997332.db2.gz SPIWFYUFKVDIHN-IVZWLZJFSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2(CO)CC2)s1 ZINC000446084276 387997809 /nfs/dbraw/zinc/99/78/09/387997809.db2.gz TYAGKQSJQQJXHX-UHFFFAOYSA-N 1 2 227.333 1.051 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2(CO)CC2)s1 ZINC000446084276 387997813 /nfs/dbraw/zinc/99/78/13/387997813.db2.gz TYAGKQSJQQJXHX-UHFFFAOYSA-N 1 2 227.333 1.051 20 0 BDADLO CCn1ncnc1C[NH2+][C@H](C)c1ccoc1 ZINC000309676584 388008980 /nfs/dbraw/zinc/00/89/80/388008980.db2.gz XZEJZUAOUASBRW-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO Cc1ccc(C(N)=O)cc1OCc1c[nH+]cn1C ZINC000439550945 388010167 /nfs/dbraw/zinc/01/01/67/388010167.db2.gz QGYPRPHLZHWHCB-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO Cn1c[nH+]cc1CNc1ccccc1C(N)=O ZINC000439624255 388011799 /nfs/dbraw/zinc/01/17/99/388011799.db2.gz MUDALGWQJPEMCA-UHFFFAOYSA-N 1 2 230.271 1.131 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)C2CC2)n1 ZINC000046602515 388033951 /nfs/dbraw/zinc/03/39/51/388033951.db2.gz CJXYOCQXYVKZHO-UHFFFAOYSA-N 1 2 209.293 1.862 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)C2CC2)n1 ZINC000046602515 388033956 /nfs/dbraw/zinc/03/39/56/388033956.db2.gz CJXYOCQXYVKZHO-UHFFFAOYSA-N 1 2 209.293 1.862 20 0 BDADLO CCOC(=O)CCCNc1cc(C)[nH+]cn1 ZINC000082686880 388040202 /nfs/dbraw/zinc/04/02/02/388040202.db2.gz IHNMPZQROUGSFU-UHFFFAOYSA-N 1 2 223.276 1.540 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nnn(C)n2)CC1(C)C ZINC000440519675 388051298 /nfs/dbraw/zinc/05/12/98/388051298.db2.gz MYHRROQBFFFDTB-SECBINFHSA-N 1 2 223.324 1.078 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nnn(C)n2)CC1(C)C ZINC000440519675 388051305 /nfs/dbraw/zinc/05/13/05/388051305.db2.gz MYHRROQBFFFDTB-SECBINFHSA-N 1 2 223.324 1.078 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(c2cnccn2)CC1 ZINC000440695633 388068189 /nfs/dbraw/zinc/06/81/89/388068189.db2.gz RABMZXYVLRPNTM-LLVKDONJSA-N 1 2 238.310 1.347 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccccc1O ZINC000084081362 388069922 /nfs/dbraw/zinc/06/99/22/388069922.db2.gz PUZREDYEYZQMCJ-UHFFFAOYSA-N 1 2 217.228 1.045 20 0 BDADLO O=C(CCc1ccco1)NCc1c[nH+]c[nH]1 ZINC000084081728 388070237 /nfs/dbraw/zinc/07/02/37/388070237.db2.gz IUUVOKXCXRFDOH-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO O=C(CCc1ccco1)NCc1c[nH]c[nH+]1 ZINC000084081728 388070239 /nfs/dbraw/zinc/07/02/39/388070239.db2.gz IUUVOKXCXRFDOH-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)o1 ZINC000084081739 388070865 /nfs/dbraw/zinc/07/08/65/388070865.db2.gz YZZOHMNDICRAMG-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)o1 ZINC000084081739 388070868 /nfs/dbraw/zinc/07/08/68/388070868.db2.gz YZZOHMNDICRAMG-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCSC)C(=O)OC ZINC000336657784 388075028 /nfs/dbraw/zinc/07/50/28/388075028.db2.gz PVFWVNUXCKCEMT-RKDXNWHRSA-N 1 2 219.350 1.527 20 0 BDADLO C[C@H]([NH2+]C1(C(F)F)CC1)[C@@H]1CCCO1 ZINC000336660312 388091155 /nfs/dbraw/zinc/09/11/55/388091155.db2.gz RRHYIKICJYYQFX-YUMQZZPRSA-N 1 2 205.248 1.941 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C[C@H]1CCCO1 ZINC000447855443 388097753 /nfs/dbraw/zinc/09/77/53/388097753.db2.gz RFRGDTIFMGFIAX-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000447855443 388097756 /nfs/dbraw/zinc/09/77/56/388097756.db2.gz RFRGDTIFMGFIAX-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000440497316 388045839 /nfs/dbraw/zinc/04/58/39/388045839.db2.gz VAUIDCDQOIYENB-BHDSKKPTSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000440497316 388045843 /nfs/dbraw/zinc/04/58/43/388045843.db2.gz VAUIDCDQOIYENB-BHDSKKPTSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@@H](F)C[N@H+](CCOC)Cc1ccnn1C ZINC000440504341 388047872 /nfs/dbraw/zinc/04/78/72/388047872.db2.gz WMKLBQLUSBHWGA-LLVKDONJSA-N 1 2 243.326 1.617 20 0 BDADLO CC[C@@H](F)C[N@@H+](CCOC)Cc1ccnn1C ZINC000440504341 388047874 /nfs/dbraw/zinc/04/78/74/388047874.db2.gz WMKLBQLUSBHWGA-LLVKDONJSA-N 1 2 243.326 1.617 20 0 BDADLO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516839 388048986 /nfs/dbraw/zinc/04/89/86/388048986.db2.gz PJWYYBSRQOCJDF-ZYHUDNBSSA-N 1 2 235.335 1.222 20 0 BDADLO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3nnn(C)n3)C2)C1 ZINC000440516839 388048989 /nfs/dbraw/zinc/04/89/89/388048989.db2.gz PJWYYBSRQOCJDF-ZYHUDNBSSA-N 1 2 235.335 1.222 20 0 BDADLO Cc1cc(C)c(NC(=O)N[C@H]2CCOC2)c(C)[nH+]1 ZINC000455483632 388161172 /nfs/dbraw/zinc/16/11/72/388161172.db2.gz JESOJSYSAKDMBX-NSHDSACASA-N 1 2 249.314 1.917 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[C@@H]1C1CC1 ZINC000646244237 388170231 /nfs/dbraw/zinc/17/02/31/388170231.db2.gz FWVNQGFRNJCQNW-UHTWSYAYSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000646255576 388170972 /nfs/dbraw/zinc/17/09/72/388170972.db2.gz QKIMDCWUCCDJGX-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CCO1 ZINC000646255576 388170974 /nfs/dbraw/zinc/17/09/74/388170974.db2.gz QKIMDCWUCCDJGX-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO O=C([C@@H]1CC=CCC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646257738 388172210 /nfs/dbraw/zinc/17/22/10/388172210.db2.gz GLBZVNZMNGTCSX-SNVBAGLBSA-N 1 2 231.299 1.651 20 0 BDADLO O=C([C@@H]1CC=CCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646257738 388172212 /nfs/dbraw/zinc/17/22/12/388172212.db2.gz GLBZVNZMNGTCSX-SNVBAGLBSA-N 1 2 231.299 1.651 20 0 BDADLO CC/C=C/CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000456091001 388176532 /nfs/dbraw/zinc/17/65/32/388176532.db2.gz GCDLXLQDFRSADS-AATRIKPKSA-N 1 2 221.304 1.770 20 0 BDADLO Cn1nnc2cc(C[NH2+]C(CF)CF)ccc21 ZINC000449380722 388188786 /nfs/dbraw/zinc/18/87/86/388188786.db2.gz OMEUHZPKDDQRCK-UHFFFAOYSA-N 1 2 240.257 1.366 20 0 BDADLO c1nc(C[NH2+]C2CSC2)nn1-c1ccccc1 ZINC000646291668 388176894 /nfs/dbraw/zinc/17/68/94/388176894.db2.gz BBLCZUDBRGDLHN-UHFFFAOYSA-N 1 2 246.339 1.472 20 0 BDADLO c1n[nH]cc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000646295315 388177718 /nfs/dbraw/zinc/17/77/18/388177718.db2.gz JYFFWYLTBMADLL-OLZOCXBDSA-N 1 2 233.315 1.553 20 0 BDADLO c1n[nH]cc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000646295315 388177720 /nfs/dbraw/zinc/17/77/20/388177720.db2.gz JYFFWYLTBMADLL-OLZOCXBDSA-N 1 2 233.315 1.553 20 0 BDADLO CCCn1cc(C[N@H+](C(C)C)C2COC2)cn1 ZINC000449348987 388179061 /nfs/dbraw/zinc/17/90/61/388179061.db2.gz DRUZTQJUZBJSLN-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@@H+](C(C)C)C2COC2)cn1 ZINC000449348987 388179062 /nfs/dbraw/zinc/17/90/62/388179062.db2.gz DRUZTQJUZBJSLN-UHFFFAOYSA-N 1 2 237.347 1.902 20 0 BDADLO COc1nccnc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000449353083 388179836 /nfs/dbraw/zinc/17/98/36/388179836.db2.gz XWFISBBLMGZIPY-LBPRGKRZSA-N 1 2 239.294 1.809 20 0 BDADLO COc1nccnc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000449353083 388179837 /nfs/dbraw/zinc/17/98/37/388179837.db2.gz XWFISBBLMGZIPY-LBPRGKRZSA-N 1 2 239.294 1.809 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)C(F)F ZINC000449364949 388183541 /nfs/dbraw/zinc/18/35/41/388183541.db2.gz ULKYOBBQJHANHM-NXEZZACHSA-N 1 2 236.306 1.340 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218066 388185469 /nfs/dbraw/zinc/18/54/69/388185469.db2.gz RGNRZNKXAIUDAY-UTUOFQBUSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H](C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218066 388185471 /nfs/dbraw/zinc/18/54/71/388185471.db2.gz RGNRZNKXAIUDAY-UTUOFQBUSA-N 1 2 240.347 1.012 20 0 BDADLO CCn1nnc(C)c1C[N@H+](C)Cc1cccn1C ZINC000449031874 388133483 /nfs/dbraw/zinc/13/34/83/388133483.db2.gz WXDSIBFIVMFQPH-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CCn1nnc(C)c1C[N@@H+](C)Cc1cccn1C ZINC000449031874 388133485 /nfs/dbraw/zinc/13/34/85/388133485.db2.gz WXDSIBFIVMFQPH-UHFFFAOYSA-N 1 2 247.346 1.577 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000449664482 388250433 /nfs/dbraw/zinc/25/04/33/388250433.db2.gz PNNCFCLODXUFCF-AEJSXWLSSA-N 1 2 215.293 1.094 20 0 BDADLO FC(F)Cn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000449396028 388193342 /nfs/dbraw/zinc/19/33/42/388193342.db2.gz RDQYHLIQEWGBGN-VIFPVBQESA-N 1 2 233.237 1.692 20 0 BDADLO FC(F)Cn1cc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000449396028 388193344 /nfs/dbraw/zinc/19/33/44/388193344.db2.gz RDQYHLIQEWGBGN-VIFPVBQESA-N 1 2 233.237 1.692 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCSC ZINC000456350935 388196389 /nfs/dbraw/zinc/19/63/89/388196389.db2.gz AREPBCAHFGNOLZ-SECBINFHSA-N 1 2 241.360 1.833 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CC1(F)F ZINC000456348556 388197060 /nfs/dbraw/zinc/19/70/60/388197060.db2.gz KKPNRZXNHBGGIJ-HTQZYQBOSA-N 1 2 243.257 1.735 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccn1C ZINC000456374248 388197613 /nfs/dbraw/zinc/19/76/13/388197613.db2.gz GHLRSEZBQHJUCO-SNVBAGLBSA-N 1 2 246.314 1.733 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C)on1 ZINC000456374283 388197882 /nfs/dbraw/zinc/19/78/82/388197882.db2.gz GJMWELURMSYJKN-VIFPVBQESA-N 1 2 248.286 1.690 20 0 BDADLO CC[N@H+](Cc1cnn2ccccc12)C1COC1 ZINC000449422119 388200954 /nfs/dbraw/zinc/20/09/54/388200954.db2.gz CPHHRZAINBPIHO-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@@H+](Cc1cnn2ccccc12)C1COC1 ZINC000449422119 388200957 /nfs/dbraw/zinc/20/09/57/388200957.db2.gz CPHHRZAINBPIHO-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO COCCCCC[S@](=O)Cc1c[nH+]cn1C ZINC000489114995 388204070 /nfs/dbraw/zinc/20/40/70/388204070.db2.gz FFBRADQLLPKSGO-INIZCTEOSA-N 1 2 244.360 1.486 20 0 BDADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CC1(C)C ZINC000489470693 388217024 /nfs/dbraw/zinc/21/70/24/388217024.db2.gz DCGOVYMSBDEEAA-JTQLQIEISA-N 1 2 246.314 1.253 20 0 BDADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CC1(C)C ZINC000489470693 388217026 /nfs/dbraw/zinc/21/70/26/388217026.db2.gz DCGOVYMSBDEEAA-JTQLQIEISA-N 1 2 246.314 1.253 20 0 BDADLO C[N@H+](Cc1nnnn1C1CC1)[C@H]1CC1(C)C ZINC000489514129 388220072 /nfs/dbraw/zinc/22/00/72/388220072.db2.gz MVBLHFSSYSAZIV-VIFPVBQESA-N 1 2 221.308 1.238 20 0 BDADLO C[N@@H+](Cc1nnnn1C1CC1)[C@H]1CC1(C)C ZINC000489514129 388220074 /nfs/dbraw/zinc/22/00/74/388220074.db2.gz MVBLHFSSYSAZIV-VIFPVBQESA-N 1 2 221.308 1.238 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H](O)C2CCC2)c[nH+]1 ZINC000456825047 388225347 /nfs/dbraw/zinc/22/53/47/388225347.db2.gz GGWHABUFWNIKDL-CYBMUJFWSA-N 1 2 248.326 1.476 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000518160571 256560601 /nfs/dbraw/zinc/56/06/01/256560601.db2.gz MUZKLYKCKBYWMU-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000518160571 256560603 /nfs/dbraw/zinc/56/06/03/256560603.db2.gz MUZKLYKCKBYWMU-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1(C)CCCC1 ZINC000489851975 388225937 /nfs/dbraw/zinc/22/59/37/388225937.db2.gz QCBYZOLLRGJQNK-UHFFFAOYSA-N 1 2 210.281 1.275 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1(C)CCCC1 ZINC000489851975 388225939 /nfs/dbraw/zinc/22/59/39/388225939.db2.gz QCBYZOLLRGJQNK-UHFFFAOYSA-N 1 2 210.281 1.275 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@](C)(O)C2CC2)c[nH+]1 ZINC000456840271 388226519 /nfs/dbraw/zinc/22/65/19/388226519.db2.gz NNHVKIMTNCCIIR-AWEZNQCLSA-N 1 2 248.326 1.476 20 0 BDADLO C[C@H](CC(=O)NCC1(C)CC1)n1cc[nH+]c1 ZINC000518192759 256561625 /nfs/dbraw/zinc/56/16/25/256561625.db2.gz QAFKDJKVIZMZFL-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2C=CCCC2)[nH+]1 ZINC000490104650 388235315 /nfs/dbraw/zinc/23/53/15/388235315.db2.gz PAPZLHINBCEHLJ-JTQLQIEISA-N 1 2 233.319 1.189 20 0 BDADLO Cc1nc(N[C@H]2C=CCCC2)nc(N(C)C)[nH+]1 ZINC000490104650 388235316 /nfs/dbraw/zinc/23/53/16/388235316.db2.gz PAPZLHINBCEHLJ-JTQLQIEISA-N 1 2 233.319 1.189 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCCC2(C)C)[nH+]1 ZINC000490121529 388235573 /nfs/dbraw/zinc/23/55/73/388235573.db2.gz WSNWAMCUMMTFTC-SNVBAGLBSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@@H]2CCCC2(C)C)nc(N(C)C)[nH+]1 ZINC000490121529 388235574 /nfs/dbraw/zinc/23/55/74/388235574.db2.gz WSNWAMCUMMTFTC-SNVBAGLBSA-N 1 2 249.362 1.659 20 0 BDADLO C[C@H](O)C[N@H+](CCCCCO)CC(F)F ZINC000451853672 388301088 /nfs/dbraw/zinc/30/10/88/388301088.db2.gz PJVVTPFQSMNCNX-VIFPVBQESA-N 1 2 225.279 1.097 20 0 BDADLO C[C@H](O)C[N@@H+](CCCCCO)CC(F)F ZINC000451853672 388301090 /nfs/dbraw/zinc/30/10/90/388301090.db2.gz PJVVTPFQSMNCNX-VIFPVBQESA-N 1 2 225.279 1.097 20 0 BDADLO C[C@@H](CNC(=O)/C=C\C1CC1)Cn1cc[nH+]c1 ZINC000492043386 388332585 /nfs/dbraw/zinc/33/25/85/388332585.db2.gz RCNRKNHGWXHXLJ-WYGGZMRJSA-N 1 2 233.315 1.602 20 0 BDADLO O=C(/C=C/c1ccncc1)NCc1[nH]cc[nH+]1 ZINC000491829363 388324163 /nfs/dbraw/zinc/32/41/63/388324163.db2.gz ZDBWXWIZFCXNAW-OWOJBTEDSA-N 1 2 228.255 1.134 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C\c1ccc[nH]1 ZINC000491990241 388330662 /nfs/dbraw/zinc/33/06/62/388330662.db2.gz MFHBNSCTSXSBSS-PLNGDYQASA-N 1 2 244.298 1.120 20 0 BDADLO CCCn1ncnc1C[NH+]1CCC(CF)CC1 ZINC000451388037 388268753 /nfs/dbraw/zinc/26/87/53/388268753.db2.gz ALBVGARKHJMTEP-UHFFFAOYSA-N 1 2 240.326 1.870 20 0 BDADLO Cc1cc(C)c(C[NH2+]Cc2ncnn2C)cn1 ZINC000397041733 388273540 /nfs/dbraw/zinc/27/35/40/388273540.db2.gz WGTTVLBOCFLXLV-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000524420906 388358577 /nfs/dbraw/zinc/35/85/77/388358577.db2.gz IHMPUYZWIBOOET-UHFFFAOYSA-N 1 2 247.323 1.950 20 0 BDADLO C[C@@H](CCO)CNc1nc[nH+]c(N)c1Cl ZINC000235078725 388365512 /nfs/dbraw/zinc/36/55/12/388365512.db2.gz VLTDQPRCIRFVOM-LURJTMIESA-N 1 2 230.699 1.143 20 0 BDADLO C[C@@H](CCO)CNc1[nH+]cnc(N)c1Cl ZINC000235078725 388365514 /nfs/dbraw/zinc/36/55/14/388365514.db2.gz VLTDQPRCIRFVOM-LURJTMIESA-N 1 2 230.699 1.143 20 0 BDADLO C[C@H](C[S@](C)=O)Nc1nc[nH+]c2c1CCC2 ZINC000164226800 388376751 /nfs/dbraw/zinc/37/67/51/388376751.db2.gz ISXIXAOJLFMOGW-VPTHRUTESA-N 1 2 239.344 1.144 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(O)c1 ZINC000572812159 388377981 /nfs/dbraw/zinc/37/79/81/388377981.db2.gz VGIKMNLYUAJVLU-LBPRGKRZSA-N 1 2 237.299 1.776 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(O)c1 ZINC000572812159 388377982 /nfs/dbraw/zinc/37/79/82/388377982.db2.gz VGIKMNLYUAJVLU-LBPRGKRZSA-N 1 2 237.299 1.776 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)CC=CCC1 ZINC000572811674 388378072 /nfs/dbraw/zinc/37/80/72/388378072.db2.gz WLYZKJDXTLCXSX-AWEZNQCLSA-N 1 2 247.342 1.825 20 0 BDADLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cn1 ZINC000646558182 388382463 /nfs/dbraw/zinc/38/24/63/388382463.db2.gz CUPAWNPHVUCPPQ-SNVBAGLBSA-N 1 2 249.314 1.369 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCC(C)(C)O1 ZINC000572900050 388386347 /nfs/dbraw/zinc/38/63/47/388386347.db2.gz SYHFUBQMWNQCOG-LLVKDONJSA-N 1 2 235.331 1.885 20 0 BDADLO CC[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000236949104 388386493 /nfs/dbraw/zinc/38/64/93/388386493.db2.gz YOLTYJFMHOMKLE-VXGBXAGGSA-N 1 2 240.347 1.014 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1cccn1CC ZINC000572947821 388395572 /nfs/dbraw/zinc/39/55/72/388395572.db2.gz NKVPRCIYPWWUGW-UHFFFAOYSA-N 1 2 238.331 1.893 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1cccn1CC ZINC000572947821 388395574 /nfs/dbraw/zinc/39/55/74/388395574.db2.gz NKVPRCIYPWWUGW-UHFFFAOYSA-N 1 2 238.331 1.893 20 0 BDADLO COCc1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000294233750 388396457 /nfs/dbraw/zinc/39/64/57/388396457.db2.gz SZEYWLGOXCGBNM-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\C(C)(C)C ZINC000492123559 388335620 /nfs/dbraw/zinc/33/56/20/388335620.db2.gz AKYZUZZNPHZGFN-SREVYHEPSA-N 1 2 235.331 1.981 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[C@@H]1C ZINC000492271393 388339864 /nfs/dbraw/zinc/33/98/64/388339864.db2.gz GDSOEEOMWFRKNN-XXJOZFEBSA-N 1 2 233.315 1.688 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000336893609 388439675 /nfs/dbraw/zinc/43/96/75/388439675.db2.gz KUSUXDRSNADZSN-BDAKNGLRSA-N 1 2 215.293 1.095 20 0 BDADLO Nc1[nH+]cnc(N[C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC000333705428 388442854 /nfs/dbraw/zinc/44/28/54/388442854.db2.gz HPYDCBHNBQWKKW-KVSKUHBBSA-N 1 2 224.695 1.923 20 0 BDADLO Nc1nc[nH+]c(N[C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC000333705428 388442857 /nfs/dbraw/zinc/44/28/57/388442857.db2.gz HPYDCBHNBQWKKW-KVSKUHBBSA-N 1 2 224.695 1.923 20 0 BDADLO CC[N@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000528372155 388452012 /nfs/dbraw/zinc/45/20/12/388452012.db2.gz NYFPOERMOJVZBF-UHFFFAOYSA-N 1 2 227.333 1.230 20 0 BDADLO CC[N@@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000528372155 388452013 /nfs/dbraw/zinc/45/20/13/388452013.db2.gz NYFPOERMOJVZBF-UHFFFAOYSA-N 1 2 227.333 1.230 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000515385821 256743462 /nfs/dbraw/zinc/74/34/62/256743462.db2.gz DHFHGBACQFTOPF-NQBHXWOUSA-N 1 2 247.342 1.750 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)c1cccnc1 ZINC000041538210 388457858 /nfs/dbraw/zinc/45/78/58/388457858.db2.gz LXCNKBOGFHVYRO-UHFFFAOYSA-N 1 2 244.298 1.488 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@]1(C)C(C)C)C(=O)OC ZINC000397412542 388468213 /nfs/dbraw/zinc/46/82/13/388468213.db2.gz YISSZDJXIAVCOH-JBLDHEPKSA-N 1 2 213.321 1.962 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H](F)C1 ZINC000516184069 388471212 /nfs/dbraw/zinc/47/12/12/388471212.db2.gz HUUQZWKYKTZQMT-UWVGGRQHSA-N 1 2 239.294 1.739 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H](F)C1 ZINC000516184069 388471216 /nfs/dbraw/zinc/47/12/16/388471216.db2.gz HUUQZWKYKTZQMT-UWVGGRQHSA-N 1 2 239.294 1.739 20 0 BDADLO Cn1ccc(C[N@H+](CCO)Cc2ccccc2)n1 ZINC000134019416 388473692 /nfs/dbraw/zinc/47/36/92/388473692.db2.gz BMLPFQCJHPTBDJ-UHFFFAOYSA-N 1 2 245.326 1.415 20 0 BDADLO Cn1ccc(C[N@@H+](CCO)Cc2ccccc2)n1 ZINC000134019416 388473694 /nfs/dbraw/zinc/47/36/94/388473694.db2.gz BMLPFQCJHPTBDJ-UHFFFAOYSA-N 1 2 245.326 1.415 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OCC ZINC000310020688 388473809 /nfs/dbraw/zinc/47/38/09/388473809.db2.gz NECNJAVYPNBPEN-GMTAPVOTSA-N 1 2 231.336 1.731 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CCC(C)(C)C1 ZINC000524766262 388407968 /nfs/dbraw/zinc/40/79/68/388407968.db2.gz LYTPESYOSSQAIP-UHFFFAOYSA-N 1 2 237.351 1.705 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CCC(C)(C)C1 ZINC000524766262 388407971 /nfs/dbraw/zinc/40/79/71/388407971.db2.gz LYTPESYOSSQAIP-UHFFFAOYSA-N 1 2 237.351 1.705 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000245404965 388417132 /nfs/dbraw/zinc/41/71/32/388417132.db2.gz RFWBZQUUBMUZQW-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000245404965 388417136 /nfs/dbraw/zinc/41/71/36/388417136.db2.gz RFWBZQUUBMUZQW-IUCAKERBSA-N 1 2 225.292 1.550 20 0 BDADLO C[C@H](CCCCO)Nc1[nH+]cnc2c1cnn2C ZINC000296348269 388422900 /nfs/dbraw/zinc/42/29/00/388422900.db2.gz QVUSBYDPPHFHKE-SECBINFHSA-N 1 2 249.318 1.326 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ncccc1C)C1CC1 ZINC000404605363 388426371 /nfs/dbraw/zinc/42/63/71/388426371.db2.gz BRRYAEXHDBQISE-ZDUSSCGKSA-N 1 2 248.326 1.474 20 0 BDADLO CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573264288 388437478 /nfs/dbraw/zinc/43/74/78/388437478.db2.gz ZCPJHECZYFNEIZ-VIFPVBQESA-N 1 2 209.293 1.457 20 0 BDADLO CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573264288 388437480 /nfs/dbraw/zinc/43/74/80/388437480.db2.gz ZCPJHECZYFNEIZ-VIFPVBQESA-N 1 2 209.293 1.457 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CCC(C)C)C(C)C ZINC000517210778 388541966 /nfs/dbraw/zinc/54/19/66/388541966.db2.gz GKIHYIGIDGVRJJ-RYUDHWBXSA-N 1 2 245.363 1.571 20 0 BDADLO Cc1nc(NC2CCC2)nc(NC2CCC2)[nH+]1 ZINC000548480536 388543198 /nfs/dbraw/zinc/54/31/98/388543198.db2.gz WXKOFFPGTGKCGT-UHFFFAOYSA-N 1 2 233.319 1.531 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548501297 388544621 /nfs/dbraw/zinc/54/46/21/388544621.db2.gz OPUXSCANDCCXOQ-JSGCOSHPSA-N 1 2 247.342 1.949 20 0 BDADLO CSCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079722368 388545570 /nfs/dbraw/zinc/54/55/70/388545570.db2.gz CUFWIWHYDABWGM-UHFFFAOYSA-N 1 2 239.344 1.473 20 0 BDADLO CCc1nocc1COCc1[nH]cc[nH+]1 ZINC000517245855 388545867 /nfs/dbraw/zinc/54/58/67/388545867.db2.gz DNSUZSGNWWTAQX-UHFFFAOYSA-N 1 2 207.233 1.677 20 0 BDADLO CC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000547926936 388495500 /nfs/dbraw/zinc/49/55/00/388495500.db2.gz FFDNHOZXJCNOEG-NSHDSACASA-N 1 2 235.331 1.754 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000528373385 388503732 /nfs/dbraw/zinc/50/37/32/388503732.db2.gz QCDVPHXURIYQGG-VIFPVBQESA-N 1 2 239.344 1.372 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000528373385 388503735 /nfs/dbraw/zinc/50/37/35/388503735.db2.gz QCDVPHXURIYQGG-VIFPVBQESA-N 1 2 239.344 1.372 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135647202 388504124 /nfs/dbraw/zinc/50/41/24/388504124.db2.gz MGAUDWCHVNRBAU-AAEUAGOBSA-N 1 2 243.347 1.829 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135647202 388504127 /nfs/dbraw/zinc/50/41/27/388504127.db2.gz MGAUDWCHVNRBAU-AAEUAGOBSA-N 1 2 243.347 1.829 20 0 BDADLO CC(C)(C(=O)NC(C1CC1)C1CC1)c1c[nH]c[nH+]1 ZINC000548084336 388509388 /nfs/dbraw/zinc/50/93/88/388509388.db2.gz MJVSBQOKMOQAAF-UHFFFAOYSA-N 1 2 247.342 1.992 20 0 BDADLO CCc1ccc(C[NH2+][C@H](C)c2nncn2C)nc1 ZINC000345097300 388511265 /nfs/dbraw/zinc/51/12/65/388511265.db2.gz LJBCDMORIPVDRQ-SNVBAGLBSA-N 1 2 245.330 1.623 20 0 BDADLO CC(C)Cn1ncnc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548096938 388511433 /nfs/dbraw/zinc/51/14/33/388511433.db2.gz XAJQHYNVWKZKHO-QWRGUYRKSA-N 1 2 222.336 1.917 20 0 BDADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)C(F)(F)F ZINC000548132061 388516049 /nfs/dbraw/zinc/51/60/49/388516049.db2.gz XURLMABMMQFCNZ-ZETCQYMHSA-N 1 2 249.236 1.277 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876919 388522798 /nfs/dbraw/zinc/52/27/98/388522798.db2.gz LKAXLVVNFMPOIC-AAXDQBDMSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000516876919 388522800 /nfs/dbraw/zinc/52/28/00/388522800.db2.gz LKAXLVVNFMPOIC-AAXDQBDMSA-N 1 2 247.342 1.893 20 0 BDADLO CNC(=O)N1CC[NH+](C/C=C(/C)Cl)CC1 ZINC000528426224 388523747 /nfs/dbraw/zinc/52/37/47/388523747.db2.gz ZHMMJRRQEQKBER-OQFOIZHKSA-N 1 2 231.727 1.086 20 0 BDADLO COC(=O)[C@@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000348173768 388526535 /nfs/dbraw/zinc/52/65/35/388526535.db2.gz WEAKGPZHTSCCJA-ZJUUUORDSA-N 1 2 220.272 1.835 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CCCCO)no1 ZINC000349920988 388529344 /nfs/dbraw/zinc/52/93/44/388529344.db2.gz LKIKEZREPGCYCX-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CCCCO)no1 ZINC000349920988 388529348 /nfs/dbraw/zinc/52/93/48/388529348.db2.gz LKIKEZREPGCYCX-UHFFFAOYSA-N 1 2 227.308 1.397 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1cn[nH]c1 ZINC000516974883 388530106 /nfs/dbraw/zinc/53/01/06/388530106.db2.gz NBJDLUZRABDSHA-VHSXEESVSA-N 1 2 247.302 1.435 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnn(C2CC2)c1 ZINC000528464926 388530417 /nfs/dbraw/zinc/53/04/17/388530417.db2.gz HISXMJQQMIHRSX-UHFFFAOYSA-N 1 2 242.282 1.596 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000528477004 388532065 /nfs/dbraw/zinc/53/20/65/388532065.db2.gz ULGKWEQVYRZQCI-JQYSZMLTSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000528477004 388532067 /nfs/dbraw/zinc/53/20/67/388532067.db2.gz ULGKWEQVYRZQCI-JQYSZMLTSA-N 1 2 219.712 1.211 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H](C)CO)s1 ZINC000528486071 388533502 /nfs/dbraw/zinc/53/35/02/388533502.db2.gz AQBMDIHHVCLIPV-QMMMGPOBSA-N 1 2 229.349 1.474 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)CO)s1 ZINC000528486071 388533504 /nfs/dbraw/zinc/53/35/04/388533504.db2.gz AQBMDIHHVCLIPV-QMMMGPOBSA-N 1 2 229.349 1.474 20 0 BDADLO CCN(CC)c1ccc(Nc2cccnn2)c[nH+]1 ZINC000548418651 388535419 /nfs/dbraw/zinc/53/54/19/388535419.db2.gz KRKANVJPKCFUCZ-UHFFFAOYSA-N 1 2 243.314 1.883 20 0 BDADLO CCCn1c(C)nnc1C[NH+]1[C@H](C)C[C@H]1C ZINC000548424914 388536980 /nfs/dbraw/zinc/53/69/80/388536980.db2.gz CTGODBNODIECLX-NXEZZACHSA-N 1 2 222.336 1.979 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)nc1C ZINC000187064761 388606254 /nfs/dbraw/zinc/60/62/54/388606254.db2.gz MJPVFRLDOXLTKA-ZDUSSCGKSA-N 1 2 247.342 1.409 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)nc1C ZINC000187064761 388606257 /nfs/dbraw/zinc/60/62/57/388606257.db2.gz MJPVFRLDOXLTKA-ZDUSSCGKSA-N 1 2 247.342 1.409 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1cscn1)C(F)(F)F ZINC000270451918 388607330 /nfs/dbraw/zinc/60/73/30/388607330.db2.gz CHZUOAAWVURFDG-SSDOTTSWSA-N 1 2 240.250 1.546 20 0 BDADLO CCn1nc(C)c(CNc2cc(C)[nH+]cn2)c1C ZINC000517648057 388556554 /nfs/dbraw/zinc/55/65/54/388556554.db2.gz VQFDEAXEUAIUGV-UHFFFAOYSA-N 1 2 245.330 1.652 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C3CC3)n2)no1 ZINC000517651077 388556659 /nfs/dbraw/zinc/55/66/59/388556659.db2.gz FTLLURUPTPEWKW-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H](OC)C(C)C)C(=O)OCC ZINC000359759621 388556821 /nfs/dbraw/zinc/55/68/21/388556821.db2.gz VMBZWYQTHMMCEO-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO CCCCn1nnnc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548753480 388557152 /nfs/dbraw/zinc/55/71/52/388557152.db2.gz ZZVGABJVUFAEKT-AOOOYVTPSA-N 1 2 223.324 1.456 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548753480 388557155 /nfs/dbraw/zinc/55/71/55/388557155.db2.gz ZZVGABJVUFAEKT-AOOOYVTPSA-N 1 2 223.324 1.456 20 0 BDADLO CON1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000521019875 388560058 /nfs/dbraw/zinc/56/00/58/388560058.db2.gz KZCINCAMVFJZAI-UHFFFAOYSA-N 1 2 222.292 1.223 20 0 BDADLO CCOC[C@H]1C[N@H+](Cc2cncs2)CCO1 ZINC000528731014 388560361 /nfs/dbraw/zinc/56/03/61/388560361.db2.gz ILQMQZNMUYJOSJ-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO CCOC[C@H]1C[N@@H+](Cc2cncs2)CCO1 ZINC000528731014 388560364 /nfs/dbraw/zinc/56/03/64/388560364.db2.gz ILQMQZNMUYJOSJ-SNVBAGLBSA-N 1 2 242.344 1.380 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000528741441 388564660 /nfs/dbraw/zinc/56/46/60/388564660.db2.gz NKAOLSBGDWKRML-UPZJHPNMSA-N 1 2 233.315 1.626 20 0 BDADLO CC1(C)C[NH+](CC(=O)NC[C@H]2CCCCO2)C1 ZINC000521268735 388567075 /nfs/dbraw/zinc/56/70/75/388567075.db2.gz LUXOPRYEBZGYBU-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nncn1C ZINC000528768593 388570182 /nfs/dbraw/zinc/57/01/82/388570182.db2.gz LWJBGOXISAVTSB-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nncn1C ZINC000528768593 388570185 /nfs/dbraw/zinc/57/01/85/388570185.db2.gz LWJBGOXISAVTSB-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cnnn1C ZINC000528774281 388571233 /nfs/dbraw/zinc/57/12/33/388571233.db2.gz UMSMKKVWGQBDCW-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cnnn1C ZINC000528774281 388571236 /nfs/dbraw/zinc/57/12/36/388571236.db2.gz UMSMKKVWGQBDCW-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO Cn1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000549077362 388572573 /nfs/dbraw/zinc/57/25/73/388572573.db2.gz IZNIONLNJBFSSK-VIFPVBQESA-N 1 2 231.246 1.234 20 0 BDADLO Cn1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000549077362 388572574 /nfs/dbraw/zinc/57/25/74/388572574.db2.gz IZNIONLNJBFSSK-VIFPVBQESA-N 1 2 231.246 1.234 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@@H]1CCC[C@H]1O ZINC000246096252 388616536 /nfs/dbraw/zinc/61/65/36/388616536.db2.gz IXSWILZQAQADLX-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@@H]1CCC[C@H]1O ZINC000246096252 388616538 /nfs/dbraw/zinc/61/65/38/388616538.db2.gz IXSWILZQAQADLX-WCBMZHEXSA-N 1 2 227.333 1.131 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cn[nH]c1 ZINC000615652752 388581470 /nfs/dbraw/zinc/58/14/70/388581470.db2.gz AYWCVMKYOZJWFF-WOPDTQHZSA-N 1 2 249.314 1.183 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cn[nH]c1 ZINC000615652752 388581473 /nfs/dbraw/zinc/58/14/73/388581473.db2.gz AYWCVMKYOZJWFF-WOPDTQHZSA-N 1 2 249.314 1.183 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2ccc(C)cn2)[N@H+](C)C1 ZINC000330513285 388582918 /nfs/dbraw/zinc/58/29/18/388582918.db2.gz DCWSJRBPAYXLOG-QWRGUYRKSA-N 1 2 249.314 1.048 20 0 BDADLO CO[C@H]1C[C@@H](C(=O)Nc2ccc(C)cn2)[N@@H+](C)C1 ZINC000330513285 388582923 /nfs/dbraw/zinc/58/29/23/388582923.db2.gz DCWSJRBPAYXLOG-QWRGUYRKSA-N 1 2 249.314 1.048 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCCC12CC2 ZINC000528916305 388583119 /nfs/dbraw/zinc/58/31/19/388583119.db2.gz KHYXQCGXRLHWQN-VIFPVBQESA-N 1 2 232.283 1.728 20 0 BDADLO CN(C(=O)C[N@H+](C)Cc1ccco1)C1CC1 ZINC000064138107 388668611 /nfs/dbraw/zinc/66/86/11/388668611.db2.gz CIZXFAFBRWDBKS-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO CN(C(=O)C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000064138107 388668613 /nfs/dbraw/zinc/66/86/13/388668613.db2.gz CIZXFAFBRWDBKS-UHFFFAOYSA-N 1 2 222.288 1.332 20 0 BDADLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CC1 ZINC000538149118 388679138 /nfs/dbraw/zinc/67/91/38/388679138.db2.gz IIVIFMOMNACUFS-UHFFFAOYSA-N 1 2 210.281 1.131 20 0 BDADLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CC1 ZINC000538149118 388679140 /nfs/dbraw/zinc/67/91/40/388679140.db2.gz IIVIFMOMNACUFS-UHFFFAOYSA-N 1 2 210.281 1.131 20 0 BDADLO Cn1c[nH+]cc1CN[C@H](C1CC1)C(F)(F)F ZINC000288477111 388627962 /nfs/dbraw/zinc/62/79/62/388627962.db2.gz PLJPBMMJZKIYOS-SECBINFHSA-N 1 2 233.237 1.851 20 0 BDADLO Cc1cc(N2CC[C@@H](O)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000189236494 388628256 /nfs/dbraw/zinc/62/82/56/388628256.db2.gz ZBMDGWUZILSVSS-BXKDBHETSA-N 1 2 247.342 1.870 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H](COC)C(C)C ZINC000083400059 388638834 /nfs/dbraw/zinc/63/88/34/388638834.db2.gz CXDYVPBYPULWKS-VHSXEESVSA-N 1 2 217.309 1.199 20 0 BDADLO CN(C)C(=O)c1cncc(-c2c[nH+]cn2C)c1 ZINC000530249595 388640483 /nfs/dbraw/zinc/64/04/83/388640483.db2.gz BFZFPAAUIXYOLA-UHFFFAOYSA-N 1 2 230.271 1.184 20 0 BDADLO C[C@@H]1C[C@@H](C)N1c1[nH+]cnc2c1cnn2C ZINC000530378752 388653034 /nfs/dbraw/zinc/65/30/34/388653034.db2.gz PVSPTJMCHMUJIT-HTQZYQBOSA-N 1 2 217.276 1.350 20 0 BDADLO Nc1nc(N[C@@H]2CCSC2)[nH+]c2ccccc12 ZINC000530431382 388655187 /nfs/dbraw/zinc/65/51/87/388655187.db2.gz FMCVMAIHEBSCRS-MRVPVSSYSA-N 1 2 246.339 1.382 20 0 BDADLO CN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000194484720 388734162 /nfs/dbraw/zinc/73/41/62/388734162.db2.gz MKBCEDXZTHTPHM-UHFFFAOYSA-N 1 2 248.330 1.322 20 0 BDADLO CS[C@H](CO)[C@@H](C)Nc1cccc[nH+]1 ZINC000227058655 388739156 /nfs/dbraw/zinc/73/91/56/388739156.db2.gz SDHUBWAPEHSQOZ-RKDXNWHRSA-N 1 2 212.318 1.606 20 0 BDADLO CC1(C)C[N@H+](CCNC(=O)C2CCC2)CCO1 ZINC000194903657 388745995 /nfs/dbraw/zinc/74/59/95/388745995.db2.gz YPFFOOLPLJIERQ-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)C[N@@H+](CCNC(=O)C2CCC2)CCO1 ZINC000194903657 388745997 /nfs/dbraw/zinc/74/59/97/388745997.db2.gz YPFFOOLPLJIERQ-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCc3ccccc32)C1 ZINC000553256898 388757788 /nfs/dbraw/zinc/75/77/88/388757788.db2.gz OVIHQAZIUIGFIH-UHFFFAOYSA-N 1 2 244.338 1.918 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065550756 388696077 /nfs/dbraw/zinc/69/60/77/388696077.db2.gz PQXFQSWXVCEYQK-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000065550756 388696080 /nfs/dbraw/zinc/69/60/80/388696080.db2.gz PQXFQSWXVCEYQK-SFYZADRCSA-N 1 2 239.237 1.822 20 0 BDADLO CC(F)(F)C[NH2+]Cc1c[nH]c2nccnc12 ZINC000552356504 388696635 /nfs/dbraw/zinc/69/66/35/388696635.db2.gz XFXLTRLSKRGTKO-UHFFFAOYSA-N 1 2 226.230 1.654 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000195131482 388697072 /nfs/dbraw/zinc/69/70/72/388697072.db2.gz QWEOOJCFUFHOTF-UHFFFAOYSA-N 1 2 249.314 1.212 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccc(C)cn1 ZINC000126763734 388701524 /nfs/dbraw/zinc/70/15/24/388701524.db2.gz LSIZOYBKMNYCJC-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccc(C)cn1 ZINC000126763734 388701526 /nfs/dbraw/zinc/70/15/26/388701526.db2.gz LSIZOYBKMNYCJC-UHFFFAOYSA-N 1 2 235.331 1.348 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000193401404 388703885 /nfs/dbraw/zinc/70/38/85/388703885.db2.gz YQOXJZIPFRBZDT-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000193401404 388703887 /nfs/dbraw/zinc/70/38/87/388703887.db2.gz YQOXJZIPFRBZDT-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000249042281 388705498 /nfs/dbraw/zinc/70/54/98/388705498.db2.gz DCWOEQPEBVKZSK-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000249042281 388705502 /nfs/dbraw/zinc/70/55/02/388705502.db2.gz DCWOEQPEBVKZSK-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@H](C)O ZINC000249155403 388710813 /nfs/dbraw/zinc/71/08/13/388710813.db2.gz YONWENOJEWJYQV-UKKRHICBSA-N 1 2 229.320 1.077 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccco2)C[C@H](C)O1 ZINC000249264834 388714166 /nfs/dbraw/zinc/71/41/66/388714166.db2.gz ZIZOVRNCHQRVLB-JQWIXIFHSA-N 1 2 225.288 1.515 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccco2)C[C@H](C)O1 ZINC000249264834 388714167 /nfs/dbraw/zinc/71/41/67/388714167.db2.gz ZIZOVRNCHQRVLB-JQWIXIFHSA-N 1 2 225.288 1.515 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)O1 ZINC000552558801 388725383 /nfs/dbraw/zinc/72/53/83/388725383.db2.gz JIPZAHPEPPTKHB-KXUCPTDWSA-N 1 2 237.303 1.545 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCO[C@H]1C)c1[nH]cc[nH+]1 ZINC000552559150 388726141 /nfs/dbraw/zinc/72/61/41/388726141.db2.gz QREBACKHAGQTEJ-VGMNWLOBSA-N 1 2 223.276 1.012 20 0 BDADLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(C)cc1 ZINC000194289873 388727596 /nfs/dbraw/zinc/72/75/96/388727596.db2.gz JIILHSSAWHSYEX-LBPRGKRZSA-N 1 2 245.330 1.759 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)no1 ZINC000249596354 388729333 /nfs/dbraw/zinc/72/93/33/388729333.db2.gz WYIMPVHGSCQODU-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)no1 ZINC000249596354 388729336 /nfs/dbraw/zinc/72/93/36/388729336.db2.gz WYIMPVHGSCQODU-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1nc(NC2(CCO)CC2)c2c([nH+]1)CCCC2 ZINC000431512365 388731418 /nfs/dbraw/zinc/73/14/18/388731418.db2.gz FQLBQULBDURFIK-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)s1 ZINC000540215712 388800652 /nfs/dbraw/zinc/80/06/52/388800652.db2.gz XXOKTNDBPXVIKU-SCZZXKLOSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)s1 ZINC000540215712 388800654 /nfs/dbraw/zinc/80/06/54/388800654.db2.gz XXOKTNDBPXVIKU-SCZZXKLOSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000334390799 177704582 /nfs/dbraw/zinc/70/45/82/177704582.db2.gz UGJGUPJPIJKCHW-JTQLQIEISA-N 1 2 244.298 1.288 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H]1C ZINC000553393692 388768350 /nfs/dbraw/zinc/76/83/50/388768350.db2.gz RXJGHSLCOXEJNO-VXNVDRBHSA-N 1 2 207.277 1.175 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@H]1C ZINC000553393692 388768353 /nfs/dbraw/zinc/76/83/53/388768353.db2.gz RXJGHSLCOXEJNO-VXNVDRBHSA-N 1 2 207.277 1.175 20 0 BDADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cn1 ZINC000564221168 388770308 /nfs/dbraw/zinc/77/03/08/388770308.db2.gz ASVKJBACUMLLJJ-LLVKDONJSA-N 1 2 233.315 1.669 20 0 BDADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cn1 ZINC000564221173 388770613 /nfs/dbraw/zinc/77/06/13/388770613.db2.gz ASVKJBACUMLLJJ-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)C1 ZINC000252709490 388774046 /nfs/dbraw/zinc/77/40/46/388774046.db2.gz CZRYIQJPTUKPFP-MCIONIFRSA-N 1 2 239.407 1.258 20 0 BDADLO c1cncc(-c2noc([C@H]3CSC[NH2+]3)n2)c1 ZINC000229003386 388778630 /nfs/dbraw/zinc/77/86/30/388778630.db2.gz QSJSIMORQLXYEW-MRVPVSSYSA-N 1 2 234.284 1.467 20 0 BDADLO COCC1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000540920740 388826417 /nfs/dbraw/zinc/82/64/17/388826417.db2.gz ZDHSDOSJKPMKQH-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](CO)c2ccccc2C)o1 ZINC000554636117 388826441 /nfs/dbraw/zinc/82/64/41/388826441.db2.gz PTIIEXZQLXKPEW-LBPRGKRZSA-N 1 2 247.298 1.510 20 0 BDADLO Cn1cc[nH+]c1C[S@](=O)c1ccc(O)cc1 ZINC000129284538 388830252 /nfs/dbraw/zinc/83/02/52/388830252.db2.gz XDBFZACMMMBODQ-MRXNPFEDSA-N 1 2 236.296 1.434 20 0 BDADLO Cc1cc(NC(=O)N2[C@H](C)C[C@@H]2C)cc[nH+]1 ZINC000336603190 177701123 /nfs/dbraw/zinc/70/11/23/177701123.db2.gz WMFXZVAJGZSSSM-AOOOYVTPSA-N 1 2 219.288 1.827 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129583838 388855687 /nfs/dbraw/zinc/85/56/87/388855687.db2.gz FIRXHRLXJPSUJN-SNVBAGLBSA-N 1 2 245.319 1.212 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129583838 388855694 /nfs/dbraw/zinc/85/56/94/388855694.db2.gz FIRXHRLXJPSUJN-SNVBAGLBSA-N 1 2 245.319 1.212 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129611209 388858070 /nfs/dbraw/zinc/85/80/70/388858070.db2.gz DTCSUNHDRRLPKM-JTQLQIEISA-N 1 2 217.309 1.295 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129611209 388858072 /nfs/dbraw/zinc/85/80/72/388858072.db2.gz DTCSUNHDRRLPKM-JTQLQIEISA-N 1 2 217.309 1.295 20 0 BDADLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)o2)cn1 ZINC000541689323 388864150 /nfs/dbraw/zinc/86/41/50/388864150.db2.gz XNSOUGSJTWNNMH-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCSC[C@H]1C ZINC000556086890 388866459 /nfs/dbraw/zinc/86/64/59/388866459.db2.gz NWKARAFIHGZJBK-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCSC[C@H]1C ZINC000556086890 388866463 /nfs/dbraw/zinc/86/64/63/388866463.db2.gz NWKARAFIHGZJBK-SNVBAGLBSA-N 1 2 240.376 1.625 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541880593 388872066 /nfs/dbraw/zinc/87/20/66/388872066.db2.gz LALCKKKIDOUCNT-QWRGUYRKSA-N 1 2 235.331 1.949 20 0 BDADLO CCc1cc(C[NH2+]Cc2cccc(OC)n2)on1 ZINC000555392326 388848737 /nfs/dbraw/zinc/84/87/37/388848737.db2.gz QRBGLFYYVKISRR-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO Cc1cscc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000129505368 388849634 /nfs/dbraw/zinc/84/96/34/388849634.db2.gz GWNWNCHNEITMBS-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649166502 388886080 /nfs/dbraw/zinc/88/60/80/388886080.db2.gz DTUFDARIIFEVGR-GMTAPVOTSA-N 1 2 233.315 1.647 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565184245 388922420 /nfs/dbraw/zinc/92/24/20/388922420.db2.gz VGWVICBGKGGIMN-RKDXNWHRSA-N 1 2 237.303 1.072 20 0 BDADLO CC(=O)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565184245 388922422 /nfs/dbraw/zinc/92/24/22/388922422.db2.gz VGWVICBGKGGIMN-RKDXNWHRSA-N 1 2 237.303 1.072 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565184242 388923235 /nfs/dbraw/zinc/92/32/35/388923235.db2.gz VGWVICBGKGGIMN-BDAKNGLRSA-N 1 2 237.303 1.072 20 0 BDADLO CC(=O)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565184242 388923237 /nfs/dbraw/zinc/92/32/37/388923237.db2.gz VGWVICBGKGGIMN-BDAKNGLRSA-N 1 2 237.303 1.072 20 0 BDADLO CCn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cn1 ZINC000565720460 388966448 /nfs/dbraw/zinc/96/64/48/388966448.db2.gz GEDDDWYVCOWWGW-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)CC(C)(C)O)[nH+]1 ZINC000565778424 388968634 /nfs/dbraw/zinc/96/86/34/388968634.db2.gz DFIXVUIBGDCGPX-UHFFFAOYSA-N 1 2 239.319 1.230 20 0 BDADLO CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000039341960 132223592 /nfs/dbraw/zinc/22/35/92/132223592.db2.gz OLFSWZFZIXYBQA-UHFFFAOYSA-N 1 2 219.288 1.187 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCSC1)c1[nH]cc[nH+]1 ZINC000565431206 388944203 /nfs/dbraw/zinc/94/42/03/388944203.db2.gz GVLCPGQBDUBAQA-RKDXNWHRSA-N 1 2 239.344 1.730 20 0 BDADLO Cn1c[nH+]cc1CN1Cc2cccnc2C1 ZINC000565535156 388951137 /nfs/dbraw/zinc/95/11/37/388951137.db2.gz UUCOHACORIJGGC-UHFFFAOYSA-N 1 2 214.272 1.331 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)CCCF)n1 ZINC000565606436 388956741 /nfs/dbraw/zinc/95/67/41/388956741.db2.gz DGCSOQPYGMWDFP-SSDOTTSWSA-N 1 2 201.245 1.730 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)CCCF)n1 ZINC000565606436 388956744 /nfs/dbraw/zinc/95/67/44/388956744.db2.gz DGCSOQPYGMWDFP-SSDOTTSWSA-N 1 2 201.245 1.730 20 0 BDADLO CO[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC000263953069 388991134 /nfs/dbraw/zinc/99/11/34/388991134.db2.gz ZVAQMACQBSJXIO-QMMMGPOBSA-N 1 2 235.291 1.200 20 0 BDADLO Cc1nsc(NCCNc2cccc[nH+]2)n1 ZINC000266137415 388994503 /nfs/dbraw/zinc/99/45/03/388994503.db2.gz PRQDHNYNWHHHLN-UHFFFAOYSA-N 1 2 235.316 1.766 20 0 BDADLO C[C@@H](O)C(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000270754818 389013697 /nfs/dbraw/zinc/01/36/97/389013697.db2.gz ZMVAQXFOOOIWFE-MRVPVSSYSA-N 1 2 221.304 1.925 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000271001048 389017884 /nfs/dbraw/zinc/01/78/84/389017884.db2.gz YVFLXXRYHPAACM-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000271001048 389017889 /nfs/dbraw/zinc/01/78/89/389017889.db2.gz YVFLXXRYHPAACM-DTWKUNHWSA-N 1 2 245.273 1.481 20 0 BDADLO COC(=O)C1(CNc2cc[nH+]c(C)n2)CC1 ZINC000274952649 389051557 /nfs/dbraw/zinc/05/15/57/389051557.db2.gz DWPRNPRLNZZGMV-UHFFFAOYSA-N 1 2 221.260 1.150 20 0 BDADLO C[C@H](C[S@@](C)=O)Nc1cc[nH+]c(C2CC2)n1 ZINC000273096373 389037720 /nfs/dbraw/zinc/03/77/20/389037720.db2.gz DKHJUMMEYFSKEO-VPTHRUTESA-N 1 2 239.344 1.533 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1cccs1 ZINC000273327301 389039348 /nfs/dbraw/zinc/03/93/48/389039348.db2.gz TWBPLUKFXQMANL-ZCFIWIBFSA-N 1 2 224.289 1.010 20 0 BDADLO CC[C@@H](SC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000533471703 322820846 /nfs/dbraw/zinc/82/08/46/322820846.db2.gz MMRZOTBQCWKUDS-SNVBAGLBSA-N 1 2 239.344 1.408 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@H]1C[C@H]1C ZINC000488327357 533324442 /nfs/dbraw/zinc/32/44/42/533324442.db2.gz HCWMRLJBZFJPGX-RKDXNWHRSA-N 1 2 207.264 1.856 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@H]1C[C@H]1C ZINC000488327357 533324447 /nfs/dbraw/zinc/32/44/47/533324447.db2.gz HCWMRLJBZFJPGX-RKDXNWHRSA-N 1 2 207.264 1.856 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H]1C[C@@H]1C ZINC000488327356 533325222 /nfs/dbraw/zinc/32/52/22/533325222.db2.gz HCWMRLJBZFJPGX-IUCAKERBSA-N 1 2 207.264 1.856 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H]1C[C@@H]1C ZINC000488327356 533325227 /nfs/dbraw/zinc/32/52/27/533325227.db2.gz HCWMRLJBZFJPGX-IUCAKERBSA-N 1 2 207.264 1.856 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895832 533482386 /nfs/dbraw/zinc/48/23/86/533482386.db2.gz IUXKVUWCCXOAEX-AIYRYJHASA-N 1 2 247.220 1.880 20 0 BDADLO O[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000265438129 132182232 /nfs/dbraw/zinc/18/22/32/132182232.db2.gz PBXRJNSTUVEJGP-LLVKDONJSA-N 1 2 248.330 1.260 20 0 BDADLO O[C@@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000265438129 132182234 /nfs/dbraw/zinc/18/22/34/132182234.db2.gz PBXRJNSTUVEJGP-LLVKDONJSA-N 1 2 248.330 1.260 20 0 BDADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000266125915 132184275 /nfs/dbraw/zinc/18/42/75/132184275.db2.gz NKZIDAHLGNODAS-IUCAKERBSA-N 1 2 207.277 1.399 20 0 BDADLO c1ncn(CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000275004776 132204221 /nfs/dbraw/zinc/20/42/21/132204221.db2.gz HIVOSQNRHCZDQY-UHFFFAOYSA-N 1 2 243.314 1.590 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCC1=O ZINC000275361124 132204785 /nfs/dbraw/zinc/20/47/85/132204785.db2.gz LMFBDBUZZPOWOZ-VIFPVBQESA-N 1 2 231.299 1.769 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)CC2(CCOCC2)O1 ZINC000279543212 132209603 /nfs/dbraw/zinc/20/96/03/132209603.db2.gz SFUPSAZFOHQEOG-GFCCVEGCSA-N 1 2 248.326 1.856 20 0 BDADLO CCc1nc(N2CCO[C@@H](C)[C@H]2C)cc(C)[nH+]1 ZINC000287672918 132216098 /nfs/dbraw/zinc/21/60/98/132216098.db2.gz BZZLUFVURCUXSV-MNOVXSKESA-N 1 2 235.331 1.961 20 0 BDADLO Clc1cncc(N2CCn3c[nH+]cc3C2)n1 ZINC000290790937 132217398 /nfs/dbraw/zinc/21/73/98/132217398.db2.gz XNROLSKMQQRHPX-UHFFFAOYSA-N 1 2 235.678 1.347 20 0 BDADLO Cc1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc[nH+]1 ZINC000072381852 132232202 /nfs/dbraw/zinc/23/22/02/132232202.db2.gz ROYMASPBXAMEKW-NSHDSACASA-N 1 2 243.314 1.892 20 0 BDADLO CC[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCO1 ZINC000334058004 132247035 /nfs/dbraw/zinc/24/70/35/132247035.db2.gz WSWXTKGDFLECJM-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO CC[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCO1 ZINC000334058004 132247038 /nfs/dbraw/zinc/24/70/38/132247038.db2.gz WSWXTKGDFLECJM-LLVKDONJSA-N 1 2 248.330 1.666 20 0 BDADLO COC[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301299828 132252535 /nfs/dbraw/zinc/25/25/35/132252535.db2.gz WXVWPRQXGONCIW-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO Cc1cc(N2CCC(c3nnc[nH]3)CC2)nc[nH+]1 ZINC000301565730 132255010 /nfs/dbraw/zinc/25/50/10/132255010.db2.gz KKTAQEUKBUMGRP-UHFFFAOYSA-N 1 2 244.302 1.287 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1O ZINC000301957887 132258962 /nfs/dbraw/zinc/25/89/62/132258962.db2.gz NJTHYUBWYUSKGF-MWLCHTKSSA-N 1 2 233.315 1.561 20 0 BDADLO COC[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@H](C)O1 ZINC000302579959 132264664 /nfs/dbraw/zinc/26/46/64/132264664.db2.gz SSHANAWCYJYHHQ-QWRGUYRKSA-N 1 2 237.303 1.025 20 0 BDADLO Cc1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000357570699 132274069 /nfs/dbraw/zinc/27/40/69/132274069.db2.gz QRUZBBYQNCWDFU-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO CCc1nc(N2CCC[C@H]3COC[C@H]32)cc(C)[nH+]1 ZINC000367802050 132282708 /nfs/dbraw/zinc/28/27/08/132282708.db2.gz JXAYNJLSOGPDAG-NWDGAFQWSA-N 1 2 247.342 1.963 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)CCCOC1 ZINC000334259883 133601509 /nfs/dbraw/zinc/60/15/09/133601509.db2.gz RCIBRMZMASSQIB-LBPRGKRZSA-N 1 2 237.303 1.185 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2cscn2)c2[nH+]ccn21 ZINC000334746815 133730480 /nfs/dbraw/zinc/73/04/80/133730480.db2.gz CRFUKMGMODJOEO-JGVFFNPUSA-N 1 2 248.311 1.775 20 0 BDADLO Cc1c[nH]cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000345351348 133761182 /nfs/dbraw/zinc/76/11/82/133761182.db2.gz ZWTCUMSRVNABSJ-UHFFFAOYSA-N 1 2 218.260 1.019 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CCC[C@@H](O)C1 ZINC000335748993 133891241 /nfs/dbraw/zinc/89/12/41/133891241.db2.gz YIRJPNCQZLAUBZ-SECBINFHSA-N 1 2 249.289 1.674 20 0 BDADLO Fc1ccc2c(c1)C[N@H+]([C@@H]1CCOC1)CCO2 ZINC000335937704 134013004 /nfs/dbraw/zinc/01/30/04/134013004.db2.gz BGENNEONZLHLCK-GFCCVEGCSA-N 1 2 237.274 1.809 20 0 BDADLO Fc1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1)CCO2 ZINC000335937704 134013005 /nfs/dbraw/zinc/01/30/05/134013005.db2.gz BGENNEONZLHLCK-GFCCVEGCSA-N 1 2 237.274 1.809 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CCc2cccc(F)c2C1 ZINC000335938143 134013027 /nfs/dbraw/zinc/01/30/27/134013027.db2.gz ZLDWYGDDNVTTPZ-CYBMUJFWSA-N 1 2 248.301 1.462 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CCc2cccc(F)c2C1 ZINC000335938143 134013028 /nfs/dbraw/zinc/01/30/28/134013028.db2.gz ZLDWYGDDNVTTPZ-CYBMUJFWSA-N 1 2 248.301 1.462 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000335952637 134022173 /nfs/dbraw/zinc/02/21/73/134022173.db2.gz GKBSFLGPQKEVSD-DTWKUNHWSA-N 1 2 207.277 1.462 20 0 BDADLO COc1cc[nH+]cc1NC(=O)COC(F)F ZINC000351964318 134024411 /nfs/dbraw/zinc/02/44/11/134024411.db2.gz LBALTPQPXVURJL-UHFFFAOYSA-N 1 2 232.186 1.268 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000335980105 134037405 /nfs/dbraw/zinc/03/74/05/134037405.db2.gz MOOOJWXXBFJUCV-YPMHNXCESA-N 1 2 247.342 1.754 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CC(F)C1 ZINC000335992826 134041205 /nfs/dbraw/zinc/04/12/05/134041205.db2.gz TYXMOPKGKXHXAJ-UHFFFAOYSA-N 1 2 219.219 1.128 20 0 BDADLO C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000336044661 134063166 /nfs/dbraw/zinc/06/31/66/134063166.db2.gz MELLNOOCXXCVMA-SNVBAGLBSA-N 1 2 235.331 1.946 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336051663 134064872 /nfs/dbraw/zinc/06/48/72/134064872.db2.gz PIARWAKRSUGEQC-JTQLQIEISA-N 1 2 233.315 1.698 20 0 BDADLO Cc1nc([C@H](C)[N@H+](CCO)CC2CC2)no1 ZINC000352108808 134068118 /nfs/dbraw/zinc/06/81/18/134068118.db2.gz ZQZHSJCSXFXHNF-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](CCO)CC2CC2)no1 ZINC000352108808 134068119 /nfs/dbraw/zinc/06/81/19/134068119.db2.gz ZQZHSJCSXFXHNF-QMMMGPOBSA-N 1 2 225.292 1.143 20 0 BDADLO C[C@@H]1[N@H+](Cc2ccno2)CCOC1(C)C ZINC000336069693 134071443 /nfs/dbraw/zinc/07/14/43/134071443.db2.gz CPPNLZBKPVDACC-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1[N@@H+](Cc2ccno2)CCOC1(C)C ZINC000336069693 134071444 /nfs/dbraw/zinc/07/14/44/134071444.db2.gz CPPNLZBKPVDACC-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO CCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336101085 134083239 /nfs/dbraw/zinc/08/32/39/134083239.db2.gz PTIJIFSLKUFFTR-SECBINFHSA-N 1 2 207.277 1.114 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H]2C2CC2)cc[nH+]1 ZINC000336109444 134085886 /nfs/dbraw/zinc/08/58/86/134085886.db2.gz BOMLKNOVWOETLK-LBPRGKRZSA-N 1 2 231.299 1.828 20 0 BDADLO CCOC1(C)CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000336109517 134085909 /nfs/dbraw/zinc/08/59/09/134085909.db2.gz MKXDQNRYMZXBHW-UHFFFAOYSA-N 1 2 249.314 1.455 20 0 BDADLO CCc1ccc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000336114028 134087882 /nfs/dbraw/zinc/08/78/82/134087882.db2.gz LBIMRTVZMGDLAL-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cc1nocc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000336116258 134088611 /nfs/dbraw/zinc/08/86/11/134088611.db2.gz MUMDSIQQTUFGND-SECBINFHSA-N 1 2 209.249 1.483 20 0 BDADLO Cc1nocc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000336116258 134088612 /nfs/dbraw/zinc/08/86/12/134088612.db2.gz MUMDSIQQTUFGND-SECBINFHSA-N 1 2 209.249 1.483 20 0 BDADLO CCOc1nnc(C[N@H+](CC)C[C@@H](C)O)s1 ZINC000352204610 134104282 /nfs/dbraw/zinc/10/42/82/134104282.db2.gz YMNCZRXSFVKMFN-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO CCOc1nnc(C[N@@H+](CC)C[C@@H](C)O)s1 ZINC000352204610 134104283 /nfs/dbraw/zinc/10/42/83/134104283.db2.gz YMNCZRXSFVKMFN-MRVPVSSYSA-N 1 2 245.348 1.140 20 0 BDADLO CCc1noc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336178974 134117696 /nfs/dbraw/zinc/11/76/96/134117696.db2.gz LBOSAWQGQQWAMO-PHIMTYICSA-N 1 2 236.315 1.909 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000336178974 134117697 /nfs/dbraw/zinc/11/76/97/134117697.db2.gz LBOSAWQGQQWAMO-PHIMTYICSA-N 1 2 236.315 1.909 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000336213008 134135342 /nfs/dbraw/zinc/13/53/42/134135342.db2.gz ZTGIQNAIDABABV-ZYHUDNBSSA-N 1 2 249.314 1.047 20 0 BDADLO CCCCOCC[NH2+][C@H](CC)C(=O)OC ZINC000168321394 134197055 /nfs/dbraw/zinc/19/70/55/134197055.db2.gz GJYCXAKDGHUZFG-SNVBAGLBSA-N 1 2 217.309 1.344 20 0 BDADLO C[C@@H]1CO[C@@H](CO)CN1c1[nH]c2ccccc2[nH+]1 ZINC000168539766 134225872 /nfs/dbraw/zinc/22/58/72/134225872.db2.gz JPQYEJZLHOJWMP-NXEZZACHSA-N 1 2 247.298 1.149 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C/C=C/c1ccccc1 ZINC000168649281 134238090 /nfs/dbraw/zinc/23/80/90/134238090.db2.gz KGEGJHAFKNTPMX-JGOVJGDKSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]1CO[C@H](CO)C[N@H+]1C/C=C/c1ccccc1 ZINC000168649281 134238091 /nfs/dbraw/zinc/23/80/91/134238091.db2.gz KGEGJHAFKNTPMX-JGOVJGDKSA-N 1 2 247.338 1.781 20 0 BDADLO C[C@@H]([NH2+]CC(N)=O)c1ncc(-c2ccccc2)o1 ZINC000173823801 134277820 /nfs/dbraw/zinc/27/78/20/134277820.db2.gz AQFFZJIGRVACOS-SECBINFHSA-N 1 2 245.282 1.478 20 0 BDADLO CCOC[C@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC000176324624 134290713 /nfs/dbraw/zinc/29/07/13/134290713.db2.gz KBHJRNRPCSPXGP-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO CCOC[C@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC000176324624 134290714 /nfs/dbraw/zinc/29/07/14/134290714.db2.gz KBHJRNRPCSPXGP-JTQLQIEISA-N 1 2 239.319 1.490 20 0 BDADLO Cc1nc(N2CCC(C)(O)CC2)c(C)c(C)[nH+]1 ZINC000177842362 134303659 /nfs/dbraw/zinc/30/36/59/134303659.db2.gz DDYLGQYUOQRSCI-UHFFFAOYSA-N 1 2 235.331 1.753 20 0 BDADLO C[N@H+](Cc1ccc(F)cc1)Cc1nccc(N)n1 ZINC000179185843 134318151 /nfs/dbraw/zinc/31/81/51/134318151.db2.gz NVIARSRYPICITD-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[N@@H+](Cc1ccc(F)cc1)Cc1nccc(N)n1 ZINC000179185843 134318152 /nfs/dbraw/zinc/31/81/52/134318152.db2.gz NVIARSRYPICITD-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)CCO1 ZINC000179869657 134324428 /nfs/dbraw/zinc/32/44/28/134324428.db2.gz TYXCQARNFBMNGN-LLVKDONJSA-N 1 2 237.347 1.859 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CCO1 ZINC000179869657 134324429 /nfs/dbraw/zinc/32/44/29/134324429.db2.gz TYXCQARNFBMNGN-LLVKDONJSA-N 1 2 237.347 1.859 20 0 BDADLO CC[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000180226339 134328191 /nfs/dbraw/zinc/32/81/91/134328191.db2.gz NBKHLAHGEXWUJQ-SNVBAGLBSA-N 1 2 221.304 1.845 20 0 BDADLO COC(=O)C1([NH2+]C[C@H](C)OC)CCCCCC1 ZINC000182390830 134344767 /nfs/dbraw/zinc/34/47/67/134344767.db2.gz GJQFXFKGONFJIX-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO O=C1C[C@@H](Nc2ccc3ccccc3[nH+]2)CN1 ZINC000225826430 134355834 /nfs/dbraw/zinc/35/58/34/134355834.db2.gz VQURHMCRSKTJMM-SNVBAGLBSA-N 1 2 227.267 1.535 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)C12CCC2 ZINC000184698267 134368024 /nfs/dbraw/zinc/36/80/24/134368024.db2.gz FIZHARYAHWWKLL-ZJUUUORDSA-N 1 2 249.301 1.551 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1O ZINC000227032343 134373623 /nfs/dbraw/zinc/37/36/23/134373623.db2.gz XQFAUGXQILQYDS-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1O ZINC000227032343 134373624 /nfs/dbraw/zinc/37/36/24/134373624.db2.gz XQFAUGXQILQYDS-UHFFFAOYSA-N 1 2 231.255 1.354 20 0 BDADLO CCc1onc(C)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185814317 134390991 /nfs/dbraw/zinc/39/09/91/134390991.db2.gz JOTHUMWFGHINQJ-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO CC[C@@H](NC(=O)Cc1ccncc1)c1[nH]cc[nH+]1 ZINC000140682304 134792798 /nfs/dbraw/zinc/79/27/98/134792798.db2.gz QCRKRGUROVKLLH-LLVKDONJSA-N 1 2 244.298 1.615 20 0 BDADLO CCCNC(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070733747 135011812 /nfs/dbraw/zinc/01/18/12/135011812.db2.gz AWXHYPJCUUQGRR-SECBINFHSA-N 1 2 241.360 1.628 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+](C)CC)n1 ZINC000076721260 135048314 /nfs/dbraw/zinc/04/83/14/135048314.db2.gz QTMMGKOBJHJWGC-MRVPVSSYSA-N 1 2 213.281 1.619 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+](C)CC)n1 ZINC000076721260 135048316 /nfs/dbraw/zinc/04/83/16/135048316.db2.gz QTMMGKOBJHJWGC-MRVPVSSYSA-N 1 2 213.281 1.619 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@@H]1O ZINC000086331338 135081058 /nfs/dbraw/zinc/08/10/58/135081058.db2.gz BXQMABODVLOWGZ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@@H]1O ZINC000086331338 135081060 /nfs/dbraw/zinc/08/10/60/135081060.db2.gz BXQMABODVLOWGZ-PHIMTYICSA-N 1 2 245.681 1.017 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246286615 135082042 /nfs/dbraw/zinc/08/20/42/135082042.db2.gz BEVUTISDQLDWKF-GHMZBOCLSA-N 1 2 229.320 1.437 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 ZINC000246286615 135082045 /nfs/dbraw/zinc/08/20/45/135082045.db2.gz BEVUTISDQLDWKF-GHMZBOCLSA-N 1 2 229.320 1.437 20 0 BDADLO O=C(Nc1ccc(F)cn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262225538 135116467 /nfs/dbraw/zinc/11/64/67/135116467.db2.gz GCJSWQJAUSCTQR-SSDOTTSWSA-N 1 2 245.204 1.156 20 0 BDADLO Cc1cc(NC[C@]2(C)CCCO2)nc[nH+]1 ZINC000087256079 135117044 /nfs/dbraw/zinc/11/70/44/135117044.db2.gz DFRZQUQPNUCYHV-NSHDSACASA-N 1 2 207.277 1.766 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@H]1O ZINC000253210628 135124718 /nfs/dbraw/zinc/12/47/18/135124718.db2.gz ZPHNYMIJJFPESY-GXFFZTMASA-N 1 2 245.326 1.780 20 0 BDADLO Cc1nc(C)c(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000084081708 135182607 /nfs/dbraw/zinc/18/26/07/135182607.db2.gz KRZVOELBQPFHIF-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1nc(C)c(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000084081708 135182609 /nfs/dbraw/zinc/18/26/09/135182609.db2.gz KRZVOELBQPFHIF-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO CC(C)(C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261549673 135188584 /nfs/dbraw/zinc/18/85/84/135188584.db2.gz OYUUWYIWMWDKSW-ZETCQYMHSA-N 1 2 220.263 1.146 20 0 BDADLO O=C(Nc1ccsc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261557336 135197676 /nfs/dbraw/zinc/19/76/76/135197676.db2.gz XFHIFPWCWFGBJV-ZETCQYMHSA-N 1 2 232.255 1.684 20 0 BDADLO CC1(C)C[N@H+](Cc2ccncc2)C[C@@H](CO)O1 ZINC000163819392 135207538 /nfs/dbraw/zinc/20/75/38/135207538.db2.gz JDYQMRQPVMLPTO-LBPRGKRZSA-N 1 2 236.315 1.053 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccncc2)C[C@@H](CO)O1 ZINC000163819392 135207540 /nfs/dbraw/zinc/20/75/40/135207540.db2.gz JDYQMRQPVMLPTO-LBPRGKRZSA-N 1 2 236.315 1.053 20 0 BDADLO Cc1noc([C@@H]([NH3+])c2ccc(C)cc2)n1 ZINC000261566387 135208538 /nfs/dbraw/zinc/20/85/38/135208538.db2.gz DLBWXRRCSAOJGM-JTQLQIEISA-N 1 2 203.245 1.735 20 0 BDADLO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccn[nH]1 ZINC000164000350 135210461 /nfs/dbraw/zinc/21/04/61/135210461.db2.gz TYKSDQIJMURTFC-GXSJLCMTSA-N 1 2 211.309 1.296 20 0 BDADLO C[N@H+](Cc1cnc(N)s1)Cc1cnccn1 ZINC000261591768 135232748 /nfs/dbraw/zinc/23/27/48/135232748.db2.gz VOVCSZQYTXSMGX-UHFFFAOYSA-N 1 2 235.316 1.147 20 0 BDADLO C[N@@H+](Cc1cnc(N)s1)Cc1cnccn1 ZINC000261591768 135232749 /nfs/dbraw/zinc/23/27/49/135232749.db2.gz VOVCSZQYTXSMGX-UHFFFAOYSA-N 1 2 235.316 1.147 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cocn2)ccn1 ZINC000342293066 135256672 /nfs/dbraw/zinc/25/66/72/135256672.db2.gz OREISFPGPYMWGI-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)cnn1 ZINC000342436013 135274160 /nfs/dbraw/zinc/27/41/60/135274160.db2.gz OHGAMEFRQZMIHG-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC1CC1 ZINC000342493889 135282424 /nfs/dbraw/zinc/28/24/24/135282424.db2.gz LTCHOHOJDJJKNM-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC1CC1 ZINC000342493889 135282426 /nfs/dbraw/zinc/28/24/26/135282426.db2.gz LTCHOHOJDJJKNM-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342644463 135300421 /nfs/dbraw/zinc/30/04/21/135300421.db2.gz SGWUMKKFYSKCBR-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342644463 135300422 /nfs/dbraw/zinc/30/04/22/135300422.db2.gz SGWUMKKFYSKCBR-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO COCc1cnc(C[N@H+](CCO)C2CC2)s1 ZINC000342681063 135304322 /nfs/dbraw/zinc/30/43/22/135304322.db2.gz NLPHGEMGBHHSGY-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@@H+](CCO)C2CC2)s1 ZINC000342681063 135304323 /nfs/dbraw/zinc/30/43/23/135304323.db2.gz NLPHGEMGBHHSGY-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000334165892 135323622 /nfs/dbraw/zinc/32/36/22/135323622.db2.gz AGDLIKLDTOAMBG-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H]1CN(C(=O)c2cncs2)[C@@H](C)C[N@@H+]1C ZINC000334168196 135324490 /nfs/dbraw/zinc/32/44/90/135324490.db2.gz AWVRYLVCGBYGCW-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1CN(C(=O)c2cncs2)[C@@H](C)C[N@H+]1C ZINC000334168196 135324491 /nfs/dbraw/zinc/32/44/91/135324491.db2.gz AWVRYLVCGBYGCW-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H](C3CC3)C2)n1C ZINC000342768751 135326510 /nfs/dbraw/zinc/32/65/10/135326510.db2.gz NAKHRZZUDYBUBZ-GFCCVEGCSA-N 1 2 235.331 1.339 20 0 BDADLO COCCN(Cc1[nH+]cc(C)n1C)CC(F)F ZINC000342772330 135327084 /nfs/dbraw/zinc/32/70/84/135327084.db2.gz AKXDUPJTNAEYSO-UHFFFAOYSA-N 1 2 247.289 1.442 20 0 BDADLO O=C(NCC1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263027539 135327454 /nfs/dbraw/zinc/32/74/54/135327454.db2.gz RPNPDMKEFUYPBG-SECBINFHSA-N 1 2 232.274 1.290 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@@H]3CCC[C@@H]32)n1C ZINC000342776939 135327718 /nfs/dbraw/zinc/32/77/18/135327718.db2.gz JDUBHCXTHASTQD-NWDGAFQWSA-N 1 2 235.331 1.482 20 0 BDADLO C[C@H]1CCC[N@H+](Cc2cc[nH+]c(N)c2)[C@H]1C(=O)[O-] ZINC000263030362 135328550 /nfs/dbraw/zinc/32/85/50/135328550.db2.gz GWEKOTPHEOCZMR-JOYOIKCWSA-N 1 2 249.314 1.349 20 0 BDADLO C[C@H]1CCC[N@@H+](Cc2cc[nH+]c(N)c2)[C@H]1C(=O)[O-] ZINC000263030362 135328551 /nfs/dbraw/zinc/32/85/51/135328551.db2.gz GWEKOTPHEOCZMR-JOYOIKCWSA-N 1 2 249.314 1.349 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263097231 135332619 /nfs/dbraw/zinc/33/26/19/135332619.db2.gz ZAALNROYSTYHQK-UTLUCORTSA-N 1 2 246.301 1.488 20 0 BDADLO CCOC1(C(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000334284609 135339188 /nfs/dbraw/zinc/33/91/88/135339188.db2.gz WAWMRTUTNYJCFX-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO C[N@H+](Cc1nnc2n1CCCCC2)C1CC1 ZINC000334296321 135342066 /nfs/dbraw/zinc/34/20/66/135342066.db2.gz YMYFRNHCWRQDGY-UHFFFAOYSA-N 1 2 220.320 1.599 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCCCC2)C1CC1 ZINC000334296321 135342068 /nfs/dbraw/zinc/34/20/68/135342068.db2.gz YMYFRNHCWRQDGY-UHFFFAOYSA-N 1 2 220.320 1.599 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263315549 135346342 /nfs/dbraw/zinc/34/63/42/135346342.db2.gz ZKSADXWGAUNSMQ-BDAKNGLRSA-N 1 2 232.274 1.242 20 0 BDADLO Cc1ccoc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000343152686 135359055 /nfs/dbraw/zinc/35/90/55/135359055.db2.gz KTLNLUHAELJFIE-ZDUSSCGKSA-N 1 2 244.294 1.904 20 0 BDADLO Cc1ncsc1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334358059 135370364 /nfs/dbraw/zinc/37/03/64/135370364.db2.gz RQFGAVCVGIXGMS-NSHDSACASA-N 1 2 238.356 1.451 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccccc1F ZINC000080606715 135383431 /nfs/dbraw/zinc/38/34/31/135383431.db2.gz FKADNXQTYGNSBM-UHFFFAOYSA-N 1 2 234.234 1.871 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000334388043 135384481 /nfs/dbraw/zinc/38/44/81/135384481.db2.gz QARCEDWJRPKUBX-GFCCVEGCSA-N 1 2 241.294 1.376 20 0 BDADLO CO[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000334393890 135385761 /nfs/dbraw/zinc/38/57/61/135385761.db2.gz VIZYOHDZNXRBQM-QMMMGPOBSA-N 1 2 247.298 1.855 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1[nH]nc2ccccc21 ZINC000078739763 135394431 /nfs/dbraw/zinc/39/44/31/135394431.db2.gz UAESJTBPFRYYHK-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](C)C2)c1C ZINC000334408893 135394481 /nfs/dbraw/zinc/39/44/81/135394481.db2.gz SDSQKQJKGNMRLC-SNVBAGLBSA-N 1 2 237.347 1.741 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCO[C@H](C)C2)c1C ZINC000334408893 135394482 /nfs/dbraw/zinc/39/44/82/135394482.db2.gz SDSQKQJKGNMRLC-SNVBAGLBSA-N 1 2 237.347 1.741 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)no1)CC(C)(C)O ZINC000078777746 135395235 /nfs/dbraw/zinc/39/52/35/135395235.db2.gz IEKDUTIDAPDSEB-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)CC(C)(C)O ZINC000078777746 135395236 /nfs/dbraw/zinc/39/52/36/135395236.db2.gz IEKDUTIDAPDSEB-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO O=C1CC[C@H]2C[N@H+](Cc3ccccc3F)CCN12 ZINC000334425592 135397017 /nfs/dbraw/zinc/39/70/17/135397017.db2.gz UVLXNUHQVNMPMP-LBPRGKRZSA-N 1 2 248.301 1.632 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3F)CCN12 ZINC000334425592 135397018 /nfs/dbraw/zinc/39/70/18/135397018.db2.gz UVLXNUHQVNMPMP-LBPRGKRZSA-N 1 2 248.301 1.632 20 0 BDADLO C[C@H]([NH2+]C1CCOCC1)C(=O)OC(C)(C)C ZINC000085494237 135486565 /nfs/dbraw/zinc/48/65/65/135486565.db2.gz YMWGNJKFAAUGRH-VIFPVBQESA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@H](NC(=O)c1cc(F)c[nH]1)c1[nH]cc[nH+]1 ZINC000346905247 135979781 /nfs/dbraw/zinc/97/97/81/135979781.db2.gz KYVDNTUYAZBREV-QMMMGPOBSA-N 1 2 236.250 1.758 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)NC(C)C)cn1 ZINC000347649169 136000671 /nfs/dbraw/zinc/00/06/71/136000671.db2.gz IDLFLWZNZWIWCD-UHFFFAOYSA-N 1 2 249.358 1.600 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)NC(C)C)cn1 ZINC000347649169 136000672 /nfs/dbraw/zinc/00/06/72/136000672.db2.gz IDLFLWZNZWIWCD-UHFFFAOYSA-N 1 2 249.358 1.600 20 0 BDADLO CC(C)N1CC[N@H+](C[C@H]2CC[C@H](C)O2)CC1=O ZINC000335294564 136005694 /nfs/dbraw/zinc/00/56/94/136005694.db2.gz WZFXUAMUJQYKIW-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@H]2CC[C@H](C)O2)CC1=O ZINC000335294564 136005695 /nfs/dbraw/zinc/00/56/95/136005695.db2.gz WZFXUAMUJQYKIW-NWDGAFQWSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000347994653 136023590 /nfs/dbraw/zinc/02/35/90/136023590.db2.gz DIQZUVVMEYRXOL-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2nccc(N)n2)c(C)o1 ZINC000348097214 136035948 /nfs/dbraw/zinc/03/59/48/136035948.db2.gz UIPBYTCWSLVUIB-SECBINFHSA-N 1 2 246.314 1.950 20 0 BDADLO CCc1ccc(C[N@@H+]2CCn3ncnc3C2)cn1 ZINC000348189650 136048880 /nfs/dbraw/zinc/04/88/80/136048880.db2.gz XXDGQPCJLTZDQZ-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCc1ccc(C[N@H+]2CCn3ncnc3C2)cn1 ZINC000348189650 136048881 /nfs/dbraw/zinc/04/88/81/136048881.db2.gz XXDGQPCJLTZDQZ-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]cn2)[C@H]1[C@H]1CCCO1 ZINC000335323971 136050965 /nfs/dbraw/zinc/05/09/65/136050965.db2.gz UOHWGKKRHLEAEI-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@H]1[C@H]1CCCO1 ZINC000335323971 136050966 /nfs/dbraw/zinc/05/09/66/136050966.db2.gz UOHWGKKRHLEAEI-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc[nH]2)[C@H]1[C@H]1CCCO1 ZINC000335323971 136050967 /nfs/dbraw/zinc/05/09/67/136050967.db2.gz UOHWGKKRHLEAEI-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@H]1[C@H]1CCCO1 ZINC000335323971 136050968 /nfs/dbraw/zinc/05/09/68/136050968.db2.gz UOHWGKKRHLEAEI-NEPJUHHUSA-N 1 2 235.331 1.799 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c(Cl)cnn2C)C[C@@H]1O ZINC000335328838 136053166 /nfs/dbraw/zinc/05/31/66/136053166.db2.gz KUSLMXMTAZKRQW-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C[C@@H]1O ZINC000335328838 136053167 /nfs/dbraw/zinc/05/31/67/136053167.db2.gz KUSLMXMTAZKRQW-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO O=C(C[C@@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335331799 136054005 /nfs/dbraw/zinc/05/40/05/136054005.db2.gz BWTSLNSHGZUPSL-NEPJUHHUSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000335334336 136055102 /nfs/dbraw/zinc/05/51/02/136055102.db2.gz QELWFQFQFKOZGI-DTORHVGOSA-N 1 2 207.277 1.352 20 0 BDADLO C[C@@H]1C[C@@H](C)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000335334339 136055147 /nfs/dbraw/zinc/05/51/47/136055147.db2.gz QELWFQFQFKOZGI-RKDXNWHRSA-N 1 2 207.277 1.352 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000335334631 136055287 /nfs/dbraw/zinc/05/52/87/136055287.db2.gz SGWXBWZSFOMMJV-VIFPVBQESA-N 1 2 207.277 1.140 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335334842 136055302 /nfs/dbraw/zinc/05/53/02/136055302.db2.gz TWHYGAXAJTUOGC-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC=C(F)C1 ZINC000335334828 136055344 /nfs/dbraw/zinc/05/53/44/136055344.db2.gz WZKRGDHSGDJMBT-SNVBAGLBSA-N 1 2 249.289 1.531 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)nn1C ZINC000348243159 136056391 /nfs/dbraw/zinc/05/63/91/136056391.db2.gz SEGZNNKMGSLDET-FZMZJTMJSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)nn1C ZINC000348243159 136056392 /nfs/dbraw/zinc/05/63/92/136056392.db2.gz SEGZNNKMGSLDET-FZMZJTMJSA-N 1 2 249.358 1.728 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1cc(C)no1 ZINC000348255341 136057501 /nfs/dbraw/zinc/05/75/01/136057501.db2.gz JWNOHFHELCPQPC-UHFFFAOYSA-N 1 2 247.254 1.317 20 0 BDADLO CC[C@H]([NH2+][C@H](C(=O)OC)C1CC1)[C@@H]1CCCO1 ZINC000348281311 136059856 /nfs/dbraw/zinc/05/98/56/136059856.db2.gz MLDRBXYWNVORPF-SRVKXCTJSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H](CO)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335346192 136066261 /nfs/dbraw/zinc/06/62/61/136066261.db2.gz NCACIFOHQSRWKC-VIFPVBQESA-N 1 2 248.286 1.179 20 0 BDADLO C[NH2+]Cc1noc(C2CC3(CCC3)C2)n1 ZINC000335346260 136066512 /nfs/dbraw/zinc/06/65/12/136066512.db2.gz QENWTBWNUJHKQZ-UHFFFAOYSA-N 1 2 207.277 1.837 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1ccco1 ZINC000348311191 136066966 /nfs/dbraw/zinc/06/69/66/136066966.db2.gz CYEPPSAKDWEHDP-UHFFFAOYSA-N 1 2 232.239 1.613 20 0 BDADLO Cc1ccnc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000348396181 136076187 /nfs/dbraw/zinc/07/61/87/136076187.db2.gz FJENOKDDOHNEIC-UHFFFAOYSA-N 1 2 228.255 1.163 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1=CCCC1 ZINC000348418684 136078011 /nfs/dbraw/zinc/07/80/11/136078011.db2.gz GMPHCBYZVAEDTG-UHFFFAOYSA-N 1 2 205.261 1.110 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000335385867 136089007 /nfs/dbraw/zinc/08/90/07/136089007.db2.gz BJTJDFDVQCKAEG-GHMZBOCLSA-N 1 2 234.299 1.302 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC12CCC2 ZINC000335548777 136097383 /nfs/dbraw/zinc/09/73/83/136097383.db2.gz QOOXUDQOANHFIY-LLVKDONJSA-N 1 2 245.326 1.601 20 0 BDADLO CC1=CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335553851 136098801 /nfs/dbraw/zinc/09/88/01/136098801.db2.gz PYURLTYOZSJCIR-GFCCVEGCSA-N 1 2 245.326 1.624 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335560341 136106030 /nfs/dbraw/zinc/10/60/30/136106030.db2.gz SXJVHLAGWBDAIZ-PWSUYJOCSA-N 1 2 247.342 1.702 20 0 BDADLO CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@H]1CC1(C)C ZINC000335564409 136107036 /nfs/dbraw/zinc/10/70/36/136107036.db2.gz SUEYTVHATOESMG-YUMQZZPRSA-N 1 2 232.274 1.241 20 0 BDADLO CN(C(=O)[C@H]([NH3+])c1cscn1)[C@H]1CC1(C)C ZINC000335565490 136107594 /nfs/dbraw/zinc/10/75/94/136107594.db2.gz YYTNAHGAOHLHDA-DTWKUNHWSA-N 1 2 239.344 1.400 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccccn1 ZINC000335571482 136110098 /nfs/dbraw/zinc/11/00/98/136110098.db2.gz FIPSFVYSLZKRQH-NWDGAFQWSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccccn1 ZINC000335571482 136110099 /nfs/dbraw/zinc/11/00/99/136110099.db2.gz FIPSFVYSLZKRQH-NWDGAFQWSA-N 1 2 219.332 1.606 20 0 BDADLO COC[C@@H](C)C[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000187586577 397791469 /nfs/dbraw/zinc/79/14/69/397791469.db2.gz IECHAVYGPPTGFT-NSHDSACASA-N 1 2 246.314 1.962 20 0 BDADLO CC[C@@H](C)C[NH2+][C@](C)(COC)C(=O)OC ZINC000182605583 397826211 /nfs/dbraw/zinc/82/62/11/397826211.db2.gz LLNPHRXDWFRFAZ-MWLCHTKSSA-N 1 2 217.309 1.200 20 0 BDADLO CCC[C@@](C)([NH2+]CCOCC)C(=O)OC ZINC000118005594 397873776 /nfs/dbraw/zinc/87/37/76/397873776.db2.gz QWRRVZGIXFLEIE-LLVKDONJSA-N 1 2 217.309 1.344 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cnn(CC)c1 ZINC000584329529 397815228 /nfs/dbraw/zinc/81/52/28/397815228.db2.gz ODBANCMZYUAJNM-LLVKDONJSA-N 1 2 239.319 1.286 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cnn(CC)c1 ZINC000584329529 397815231 /nfs/dbraw/zinc/81/52/31/397815231.db2.gz ODBANCMZYUAJNM-LLVKDONJSA-N 1 2 239.319 1.286 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@@H](C)CCO)cc[nH+]1 ZINC000650107413 397927685 /nfs/dbraw/zinc/92/76/85/397927685.db2.gz OJZJAPVSIVCYFJ-JTQLQIEISA-N 1 2 237.303 1.047 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cccn1C ZINC000271164337 397964867 /nfs/dbraw/zinc/96/48/67/397964867.db2.gz RSQRINQDIZHKJC-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cccn1C ZINC000271164337 397964870 /nfs/dbraw/zinc/96/48/70/397964870.db2.gz RSQRINQDIZHKJC-UHFFFAOYSA-N 1 2 210.277 1.020 20 0 BDADLO Cn1nnc(C[N@@H+]2CCCC3(CCCC3)C2)n1 ZINC000440529805 397932485 /nfs/dbraw/zinc/93/24/85/397932485.db2.gz IBJJKRWSYHNGMZ-UHFFFAOYSA-N 1 2 235.335 1.366 20 0 BDADLO Cn1nnc(C[N@H+]2CCCC3(CCCC3)C2)n1 ZINC000440529805 397932490 /nfs/dbraw/zinc/93/24/90/397932490.db2.gz IBJJKRWSYHNGMZ-UHFFFAOYSA-N 1 2 235.335 1.366 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOCC2CCC2)n1 ZINC000360510013 397966077 /nfs/dbraw/zinc/96/60/77/397966077.db2.gz UIQHTVXDPNMZPX-SECBINFHSA-N 1 2 239.319 1.845 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000649550790 397942956 /nfs/dbraw/zinc/94/29/56/397942956.db2.gz QANDJMUXIJBUKO-DTORHVGOSA-N 1 2 221.304 1.131 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000650187074 397967743 /nfs/dbraw/zinc/96/77/43/397967743.db2.gz QLHRHEHNUTXOTM-NXEZZACHSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000650187074 397967747 /nfs/dbraw/zinc/96/77/47/397967747.db2.gz QLHRHEHNUTXOTM-NXEZZACHSA-N 1 2 238.331 1.927 20 0 BDADLO Cc1cncc(CC[N@@H+](C)Cc2nccn2C)n1 ZINC000649569510 397958823 /nfs/dbraw/zinc/95/88/23/397958823.db2.gz PHHAVXLDEXLPAU-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1cncc(CC[N@H+](C)Cc2nccn2C)n1 ZINC000649569510 397958827 /nfs/dbraw/zinc/95/88/27/397958827.db2.gz PHHAVXLDEXLPAU-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1 ZINC000492822732 397898691 /nfs/dbraw/zinc/89/86/91/397898691.db2.gz LBRZBNOOTYNYKO-VOTSOKGWSA-N 1 2 227.267 1.739 20 0 BDADLO CO[C@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000271132108 397962764 /nfs/dbraw/zinc/96/27/64/397962764.db2.gz NFCKRKXRIQXXTE-NSHDSACASA-N 1 2 235.287 1.643 20 0 BDADLO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OC(C)(C)C ZINC000590745960 397910343 /nfs/dbraw/zinc/91/03/43/397910343.db2.gz OGVZNVBIFHGYHY-GWOFURMSSA-N 1 2 243.347 1.872 20 0 BDADLO CCO[C@@H]1COC[C@H]1Nc1cc(CC)[nH+]cn1 ZINC000649536511 397926644 /nfs/dbraw/zinc/92/66/44/397926644.db2.gz BKLYUYOCGRQGIX-GHMZBOCLSA-N 1 2 237.303 1.255 20 0 BDADLO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)ccn1 ZINC000372312859 398000862 /nfs/dbraw/zinc/00/08/62/398000862.db2.gz DEGFWKZSPQPLHI-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ccn1 ZINC000372312859 398000865 /nfs/dbraw/zinc/00/08/65/398000865.db2.gz DEGFWKZSPQPLHI-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@@H](OC(C)C)C2)n1 ZINC000649698860 398047909 /nfs/dbraw/zinc/04/79/09/398047909.db2.gz CLUSDONWJYPLHL-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)n1 ZINC000649698860 398047911 /nfs/dbraw/zinc/04/79/11/398047911.db2.gz CLUSDONWJYPLHL-LLVKDONJSA-N 1 2 239.319 1.767 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCCOC1 ZINC000038046446 398024774 /nfs/dbraw/zinc/02/47/74/398024774.db2.gz GSUQRPNPUBSCMY-VIFPVBQESA-N 1 2 247.302 1.202 20 0 BDADLO CN(C)c1noc(C[N@@H+]2CCC23CCCC3)n1 ZINC000649657849 398026079 /nfs/dbraw/zinc/02/60/79/398026079.db2.gz OUCOWFNKFBZZKT-UHFFFAOYSA-N 1 2 236.319 1.654 20 0 BDADLO CN(C)c1noc(C[N@H+]2CCC23CCCC3)n1 ZINC000649657849 398026080 /nfs/dbraw/zinc/02/60/80/398026080.db2.gz OUCOWFNKFBZZKT-UHFFFAOYSA-N 1 2 236.319 1.654 20 0 BDADLO C[C@H](CC(=O)Nc1cnoc1)n1cc[nH+]c1 ZINC000649668054 398031097 /nfs/dbraw/zinc/03/10/97/398031097.db2.gz IGBOYCVUFZXPJW-MRVPVSSYSA-N 1 2 220.232 1.461 20 0 BDADLO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1cnn(C)c1 ZINC000649584587 397973401 /nfs/dbraw/zinc/97/34/01/397973401.db2.gz ZILBZJVWMPBPLA-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)[C@@H](C)[C@H](C)O1 ZINC000649591042 397977245 /nfs/dbraw/zinc/97/72/45/397977245.db2.gz LJHPZDSCEXFURB-WOPDTQHZSA-N 1 2 249.358 1.827 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)[C@@H](C)[C@H](C)O1 ZINC000649591042 397977248 /nfs/dbraw/zinc/97/72/48/397977248.db2.gz LJHPZDSCEXFURB-WOPDTQHZSA-N 1 2 249.358 1.827 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccns2)[C@@H](C)CO1 ZINC000637930112 398042664 /nfs/dbraw/zinc/04/26/64/398042664.db2.gz KMWSRHRKGDXDNC-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccns2)[C@@H](C)CO1 ZINC000637930112 398042667 /nfs/dbraw/zinc/04/26/67/398042667.db2.gz KMWSRHRKGDXDNC-DTWKUNHWSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCCC(F)(F)C2)CCO1 ZINC000649695557 398043980 /nfs/dbraw/zinc/04/39/80/398043980.db2.gz ZWMSSOKUGMPPLC-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCCC(F)(F)C2)CCO1 ZINC000649695557 398043983 /nfs/dbraw/zinc/04/39/83/398043983.db2.gz ZWMSSOKUGMPPLC-NSHDSACASA-N 1 2 248.317 1.438 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)Cc1cnn(C)c1 ZINC000555020532 397989094 /nfs/dbraw/zinc/98/90/94/397989094.db2.gz AJLQOPJJYKAAAF-UHFFFAOYSA-N 1 2 231.303 1.463 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@H](CC)CO1 ZINC000649723088 398066303 /nfs/dbraw/zinc/06/63/03/398066303.db2.gz XUJOYZPNVLFCCO-VXGBXAGGSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@H](CC)CO1 ZINC000649723088 398066305 /nfs/dbraw/zinc/06/63/05/398066305.db2.gz XUJOYZPNVLFCCO-VXGBXAGGSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(CC)CC)[C@@H](C)CO1 ZINC000649729521 398067861 /nfs/dbraw/zinc/06/78/61/398067861.db2.gz BCZDVNIAUNDITJ-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CC)[C@@H](C)CO1 ZINC000649729521 398067863 /nfs/dbraw/zinc/06/78/63/398067863.db2.gz BCZDVNIAUNDITJ-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC(C)C)[C@@H](C)CO1 ZINC000649730390 398068141 /nfs/dbraw/zinc/06/81/41/398068141.db2.gz QVSHFXNUMCUBPC-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC(C)C)[C@@H](C)CO1 ZINC000649730390 398068144 /nfs/dbraw/zinc/06/81/44/398068144.db2.gz QVSHFXNUMCUBPC-RYUDHWBXSA-N 1 2 242.363 1.258 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730748 398069092 /nfs/dbraw/zinc/06/90/92/398069092.db2.gz XFQDNEBMLWHLHJ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730748 398069098 /nfs/dbraw/zinc/06/90/98/398069098.db2.gz XFQDNEBMLWHLHJ-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2CC)[C@H](C)CO1 ZINC000649731072 398070405 /nfs/dbraw/zinc/07/04/05/398070405.db2.gz CEEGSXULWQBSPP-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000649731339 398070810 /nfs/dbraw/zinc/07/08/10/398070810.db2.gz GGMHYCVBONDDSV-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000649731339 398070813 /nfs/dbraw/zinc/07/08/13/398070813.db2.gz GGMHYCVBONDDSV-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCCC2)[C@H](C)CO1 ZINC000649732290 398072493 /nfs/dbraw/zinc/07/24/93/398072493.db2.gz VLMWTYIUJXSKDE-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)[C@H](C)CO1 ZINC000649732290 398072496 /nfs/dbraw/zinc/07/24/96/398072496.db2.gz VLMWTYIUJXSKDE-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO Cc1scc(C[NH+]2CCS(=O)CC2)c1C ZINC000602464923 398073077 /nfs/dbraw/zinc/07/30/77/398073077.db2.gz OFDFSGIOFWGSII-UHFFFAOYSA-N 1 2 243.397 1.929 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000648504913 398073482 /nfs/dbraw/zinc/07/34/82/398073482.db2.gz UCUUYFHCLGCWEI-KOLCDFICSA-N 1 2 240.326 1.786 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000648504913 398073485 /nfs/dbraw/zinc/07/34/85/398073485.db2.gz UCUUYFHCLGCWEI-KOLCDFICSA-N 1 2 240.326 1.786 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)nc2)[C@H](C)CO1 ZINC000649734979 398073842 /nfs/dbraw/zinc/07/38/42/398073842.db2.gz DHVLUAYZZOAVRF-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)[C@H](C)CO1 ZINC000649734979 398073846 /nfs/dbraw/zinc/07/38/46/398073846.db2.gz DHVLUAYZZOAVRF-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@@H]1C ZINC000492459469 398077743 /nfs/dbraw/zinc/07/77/43/398077743.db2.gz PRIFXKXIOBUROD-ZADCQDASSA-N 1 2 233.315 1.927 20 0 BDADLO Cc1ccc2[nH+]c(CN3CCOC[C@@H]3C)cn2c1 ZINC000051687504 398057265 /nfs/dbraw/zinc/05/72/65/398057265.db2.gz FEPRUMDGFZTVLA-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cn(C)nn1 ZINC000649717137 398058780 /nfs/dbraw/zinc/05/87/80/398058780.db2.gz XKRREHMPKIDWEX-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cn(C)nn1 ZINC000649717137 398058782 /nfs/dbraw/zinc/05/87/82/398058782.db2.gz XKRREHMPKIDWEX-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCC1(C)C)CC2 ZINC000613400795 398098344 /nfs/dbraw/zinc/09/83/44/398098344.db2.gz BACXPZYPWFQYCE-LLVKDONJSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@H](CO)CNc1cc[nH+]c2ccncc12 ZINC000267913353 398102668 /nfs/dbraw/zinc/10/26/68/398102668.db2.gz AWWBEEPJQZMHMO-VIFPVBQESA-N 1 2 217.272 1.670 20 0 BDADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC(C)(C)C ZINC000066498015 398123966 /nfs/dbraw/zinc/12/39/66/398123966.db2.gz SZRCEIDVXHIYRK-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC(C)(C)C ZINC000066498015 398123968 /nfs/dbraw/zinc/12/39/68/398123968.db2.gz SZRCEIDVXHIYRK-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nccc(N)n1 ZINC000528769700 398126122 /nfs/dbraw/zinc/12/61/22/398126122.db2.gz PILXOJRBTAUGDU-QMMMGPOBSA-N 1 2 242.273 1.509 20 0 BDADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nccc(N)n1 ZINC000528769700 398126128 /nfs/dbraw/zinc/12/61/28/398126128.db2.gz PILXOJRBTAUGDU-QMMMGPOBSA-N 1 2 242.273 1.509 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619361135 398126260 /nfs/dbraw/zinc/12/62/60/398126260.db2.gz MCDLHIRXKOVHHR-IJLUTSLNSA-N 1 2 245.326 1.314 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncn2C)C2(CCC2)CO1 ZINC000649823698 398126604 /nfs/dbraw/zinc/12/66/04/398126604.db2.gz LJRRTKRIDVRNDG-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncn2C)C2(CCC2)CO1 ZINC000649823698 398126606 /nfs/dbraw/zinc/12/66/06/398126606.db2.gz LJRRTKRIDVRNDG-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1CN(Cc2c[nH+]cn2C)C2(CCC2)CO1 ZINC000649823698 398126608 /nfs/dbraw/zinc/12/66/08/398126608.db2.gz LJRRTKRIDVRNDG-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000571916194 398127336 /nfs/dbraw/zinc/12/73/36/398127336.db2.gz VMRHKOYMSHKFGH-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000571916194 398127337 /nfs/dbraw/zinc/12/73/37/398127337.db2.gz VMRHKOYMSHKFGH-NSHDSACASA-N 1 2 246.339 1.923 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)OCC23CCC3)n1 ZINC000649821472 398122494 /nfs/dbraw/zinc/12/24/94/398122494.db2.gz IYWWXOICSQBZJF-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)OCC23CCC3)n1 ZINC000649821472 398122497 /nfs/dbraw/zinc/12/24/97/398122497.db2.gz IYWWXOICSQBZJF-NSHDSACASA-N 1 2 247.342 1.928 20 0 BDADLO CN(Cc1ccccn1)C(=O)Cc1c[nH+]cn1C ZINC000547863545 398133498 /nfs/dbraw/zinc/13/34/98/398133498.db2.gz WAEJTQWWZGMUCU-UHFFFAOYSA-N 1 2 244.298 1.016 20 0 BDADLO CC(C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000042838985 167070686 /nfs/dbraw/zinc/07/06/86/167070686.db2.gz BWJAVVYDGLLSJW-UHFFFAOYSA-N 1 2 236.319 1.591 20 0 BDADLO CCN(CC)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000257709454 322873151 /nfs/dbraw/zinc/87/31/51/322873151.db2.gz SJQYQSNIPUTWFT-NSHDSACASA-N 1 2 242.269 1.833 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cccn1)c1[nH]cc[nH+]1 ZINC000140994084 487561462 /nfs/dbraw/zinc/56/14/62/487561462.db2.gz XBYTZWPCVIIGHA-BDAKNGLRSA-N 1 2 233.275 1.045 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC[C@@](C)(O)C2)[nH+]1 ZINC000674338210 487561506 /nfs/dbraw/zinc/56/15/06/487561506.db2.gz NYQAOGVCASBNAA-GFCCVEGCSA-N 1 2 232.287 1.227 20 0 BDADLO C[C@H](O)[C@H](C)SCc1c[nH+]cn1C ZINC000227770732 177013039 /nfs/dbraw/zinc/01/30/39/177013039.db2.gz JFJFQWCQBWSNQA-YUMQZZPRSA-N 1 2 200.307 1.423 20 0 BDADLO FC(F)CN1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674373525 487568092 /nfs/dbraw/zinc/56/80/92/487568092.db2.gz XRNKTNYVUPHTKE-UHFFFAOYSA-N 1 2 215.247 1.854 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CC1(C)C ZINC000290573086 487570764 /nfs/dbraw/zinc/57/07/64/487570764.db2.gz BGPZPNLVMMDDIL-VIFPVBQESA-N 1 2 222.292 1.018 20 0 BDADLO CC/C=C/CNC(=O)NCc1c[nH+]cn1C ZINC000297084953 487573567 /nfs/dbraw/zinc/57/35/67/487573567.db2.gz MVGZMNJLUAAIJN-SNAWJCMRSA-N 1 2 222.292 1.186 20 0 BDADLO O=C(c1ccccc1)N1CCc2[nH]c[nH+]c2C1 ZINC000074785491 487574664 /nfs/dbraw/zinc/57/46/64/487574664.db2.gz WVDZKFNLOVDVFM-UHFFFAOYSA-N 1 2 227.267 1.608 20 0 BDADLO O=C(c1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000074785491 487574668 /nfs/dbraw/zinc/57/46/68/487574668.db2.gz WVDZKFNLOVDVFM-UHFFFAOYSA-N 1 2 227.267 1.608 20 0 BDADLO Cc1nc(N(C)C)nc(NCCOC(C)C)[nH+]1 ZINC000680378112 487579046 /nfs/dbraw/zinc/57/90/46/487579046.db2.gz PKYRUZKLLUCZRB-UHFFFAOYSA-N 1 2 239.323 1.083 20 0 BDADLO Cc1nc(NCCOC(C)C)nc(N(C)C)[nH+]1 ZINC000680378112 487579048 /nfs/dbraw/zinc/57/90/48/487579048.db2.gz PKYRUZKLLUCZRB-UHFFFAOYSA-N 1 2 239.323 1.083 20 0 BDADLO CC(C)OC[C@@H]1C[N@H+](Cc2cc[nH]c2)CCO1 ZINC000372124775 167263115 /nfs/dbraw/zinc/26/31/15/167263115.db2.gz UFKBIPBGFHPIQF-ZDUSSCGKSA-N 1 2 238.331 1.641 20 0 BDADLO CC(C)OC[C@@H]1C[N@@H+](Cc2cc[nH]c2)CCO1 ZINC000372124775 167263118 /nfs/dbraw/zinc/26/31/18/167263118.db2.gz UFKBIPBGFHPIQF-ZDUSSCGKSA-N 1 2 238.331 1.641 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](Cc2ccncc2)CCO1 ZINC000662375269 487589292 /nfs/dbraw/zinc/58/92/92/487589292.db2.gz NSOVVOSCKSQLOC-LBPRGKRZSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccncc2)CCO1 ZINC000662375269 487589299 /nfs/dbraw/zinc/58/92/99/487589299.db2.gz NSOVVOSCKSQLOC-LBPRGKRZSA-N 1 2 242.269 1.938 20 0 BDADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCCO1 ZINC000653873291 487600086 /nfs/dbraw/zinc/60/00/86/487600086.db2.gz ONAWZKKTNBVOEP-VXGBXAGGSA-N 1 2 223.320 1.847 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674650318 487601757 /nfs/dbraw/zinc/60/17/57/487601757.db2.gz XFZCBBDKPREVBX-UHFFFAOYSA-N 1 2 245.326 1.736 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674650318 487601760 /nfs/dbraw/zinc/60/17/60/487601760.db2.gz XFZCBBDKPREVBX-UHFFFAOYSA-N 1 2 245.326 1.736 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650105889 409584071 /nfs/dbraw/zinc/58/40/71/409584071.db2.gz WQRKYVWIWOPJAZ-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2cccc(OC)c2C1 ZINC000650105889 409584077 /nfs/dbraw/zinc/58/40/77/409584077.db2.gz WQRKYVWIWOPJAZ-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2C)c(C)c[nH+]1 ZINC000671528694 487610536 /nfs/dbraw/zinc/61/05/36/487610536.db2.gz NZXOTPFLXALCSZ-GMSGAONNSA-N 1 2 219.288 1.650 20 0 BDADLO COCCCOC1C[NH+](CC2(F)CC2)C1 ZINC000556786792 322924344 /nfs/dbraw/zinc/92/43/44/322924344.db2.gz CCLGOWNBEGBJKB-UHFFFAOYSA-N 1 2 217.284 1.226 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCCC1CC1 ZINC000655239458 409687254 /nfs/dbraw/zinc/68/72/54/409687254.db2.gz XZVZVDYIRMAJMJ-UHFFFAOYSA-N 1 2 221.304 1.567 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCCCC1CC1 ZINC000655239458 409687264 /nfs/dbraw/zinc/68/72/64/409687264.db2.gz XZVZVDYIRMAJMJ-UHFFFAOYSA-N 1 2 221.304 1.567 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000526996425 487610917 /nfs/dbraw/zinc/61/09/17/487610917.db2.gz JSGCHZVGZNUSJF-UWVGGRQHSA-N 1 2 249.314 1.373 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@H](C3CCC3)C2)c1 ZINC000660797110 409758124 /nfs/dbraw/zinc/75/81/24/409758124.db2.gz LNCHSARJLGFKSH-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000660797110 409758128 /nfs/dbraw/zinc/75/81/28/409758128.db2.gz LNCHSARJLGFKSH-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000660797110 409758132 /nfs/dbraw/zinc/75/81/32/409758132.db2.gz LNCHSARJLGFKSH-ZDUSSCGKSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000655285588 409794338 /nfs/dbraw/zinc/79/43/38/409794338.db2.gz CWPGJPDOOVRBHD-NWDGAFQWSA-N 1 2 235.331 1.824 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccccc1 ZINC000660852622 409871691 /nfs/dbraw/zinc/87/16/91/409871691.db2.gz YZLCHIPBQYQBAJ-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccccc1 ZINC000660852622 409871697 /nfs/dbraw/zinc/87/16/97/409871697.db2.gz YZLCHIPBQYQBAJ-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCn1cccc1 ZINC000660863744 409884257 /nfs/dbraw/zinc/88/42/57/409884257.db2.gz LRPHKOMVWQKXKH-UHFFFAOYSA-N 1 2 247.302 1.053 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCn1cccc1 ZINC000660863744 409884263 /nfs/dbraw/zinc/88/42/63/409884263.db2.gz LRPHKOMVWQKXKH-UHFFFAOYSA-N 1 2 247.302 1.053 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCC1=CCCC1 ZINC000663232481 410084642 /nfs/dbraw/zinc/08/46/42/410084642.db2.gz ATIDCIBUCIULRK-UHFFFAOYSA-N 1 2 229.287 1.886 20 0 BDADLO CCc1cc(=O)[nH]c(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000661089001 410157211 /nfs/dbraw/zinc/15/72/11/410157211.db2.gz SVHUVBWJAVESHF-UHFFFAOYSA-N 1 2 247.302 1.100 20 0 BDADLO CCc1cc(=O)[nH]c(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000661089001 410157214 /nfs/dbraw/zinc/15/72/14/410157214.db2.gz SVHUVBWJAVESHF-UHFFFAOYSA-N 1 2 247.302 1.100 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC1(F)F)c1[nH]cc[nH+]1 ZINC000655401941 410204851 /nfs/dbraw/zinc/20/48/51/410204851.db2.gz DPVQZTZLFBEYSA-PHDIDXHHSA-N 1 2 215.203 1.242 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)c1cnn(C)c1)c1[nH]cc[nH+]1 ZINC000655401869 410205100 /nfs/dbraw/zinc/20/51/00/410205100.db2.gz QLABPVCYBNKUQG-RKDXNWHRSA-N 1 2 247.302 1.124 20 0 BDADLO C[C@@H](NC(=O)c1occ2c1CCC2)c1[nH]cc[nH+]1 ZINC000655401960 410205271 /nfs/dbraw/zinc/20/52/71/410205271.db2.gz LGDFOGNJGMKPAT-MRVPVSSYSA-N 1 2 245.282 1.982 20 0 BDADLO COCCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071540712 410416743 /nfs/dbraw/zinc/41/67/43/410416743.db2.gz QWVSUJBJEFYBIN-UHFFFAOYSA-N 1 2 247.298 1.409 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000650805514 410511503 /nfs/dbraw/zinc/51/15/03/410511503.db2.gz CBVGXWCNMJPKRQ-NSHDSACASA-N 1 2 247.298 1.629 20 0 BDADLO CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000650805514 410511510 /nfs/dbraw/zinc/51/15/10/410511510.db2.gz CBVGXWCNMJPKRQ-NSHDSACASA-N 1 2 247.298 1.629 20 0 BDADLO C[C@@H](NC(=O)Nc1cccnc1)c1[nH+]ccn1C ZINC000664455343 410584745 /nfs/dbraw/zinc/58/47/45/410584745.db2.gz YYLRXUKQRQOUIQ-SECBINFHSA-N 1 2 245.286 1.698 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826714 410638163 /nfs/dbraw/zinc/63/81/63/410638163.db2.gz XDRQFDFLXJDCDE-VXGBXAGGSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826714 410638167 /nfs/dbraw/zinc/63/81/67/410638167.db2.gz XDRQFDFLXJDCDE-VXGBXAGGSA-N 1 2 247.342 1.728 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@@H]2COC(C)(C)C2)o1 ZINC000661528863 410729012 /nfs/dbraw/zinc/72/90/12/410729012.db2.gz RFGXGURDFXHTHP-VIFPVBQESA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@@H]2COC(C)(C)C2)o1 ZINC000661528863 410729017 /nfs/dbraw/zinc/72/90/17/410729017.db2.gz RFGXGURDFXHTHP-VIFPVBQESA-N 1 2 225.292 1.377 20 0 BDADLO COCc1noc(C[N@@H+]2CCS[C@H](C)C2)n1 ZINC000182226784 410687053 /nfs/dbraw/zinc/68/70/53/410687053.db2.gz FAQMNBHCWXAWOT-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO COCc1noc(C[N@H+]2CCS[C@H](C)C2)n1 ZINC000182226784 410687058 /nfs/dbraw/zinc/68/70/58/410687058.db2.gz FAQMNBHCWXAWOT-MRVPVSSYSA-N 1 2 243.332 1.153 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cncn1C ZINC000661467600 410687130 /nfs/dbraw/zinc/68/71/30/410687130.db2.gz WEOQEYNCCWWFTB-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cncn1C ZINC000661467600 410687137 /nfs/dbraw/zinc/68/71/37/410687137.db2.gz WEOQEYNCCWWFTB-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO C[C@@H]1COC2(CCC2)CN1Cc1c[nH+]cn1C ZINC000661467600 410687140 /nfs/dbraw/zinc/68/71/40/410687140.db2.gz WEOQEYNCCWWFTB-LLVKDONJSA-N 1 2 235.331 1.564 20 0 BDADLO CCc1cc(NCC(C)(C)C(C)(C)O)nc[nH+]1 ZINC000393572846 410752651 /nfs/dbraw/zinc/75/26/51/410752651.db2.gz POCHTQWANGPDMX-UHFFFAOYSA-N 1 2 237.347 1.670 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)NC2CC=CC2)c2[nH+]ccn21 ZINC000651138240 410831780 /nfs/dbraw/zinc/83/17/80/410831780.db2.gz BHSLGIDMNKESCH-MWLCHTKSSA-N 1 2 246.314 1.907 20 0 BDADLO CC(C)CC[S@](=O)Cc1[nH+]ccn1C ZINC000129315689 166917420 /nfs/dbraw/zinc/91/74/20/166917420.db2.gz KUYRUSPBYPHUGI-CQSZACIVSA-N 1 2 214.334 1.715 20 0 BDADLO CC(C)NC(=O)CNc1cc[nH+]c(C2CC2)n1 ZINC000110117686 167060592 /nfs/dbraw/zinc/06/05/92/167060592.db2.gz MQBWDKLESKELHW-UHFFFAOYSA-N 1 2 234.303 1.291 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000294289444 167061145 /nfs/dbraw/zinc/06/11/45/167061145.db2.gz ZCIMVJSRJBMOBW-VHSXEESVSA-N 1 2 236.319 1.003 20 0 BDADLO CC(C)OC(=O)CSCc1[nH+]ccn1C ZINC000127500105 167158588 /nfs/dbraw/zinc/15/85/88/167158588.db2.gz VXNNFCLMIXSTAC-UHFFFAOYSA-N 1 2 228.317 1.605 20 0 BDADLO CC(C)OCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000236792026 167202182 /nfs/dbraw/zinc/20/21/82/167202182.db2.gz HXGUJZNQDDMNQG-UHFFFAOYSA-N 1 2 223.276 1.417 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CCCC1 ZINC000651310726 410916120 /nfs/dbraw/zinc/91/61/20/410916120.db2.gz VGUSHLFIUVNPJE-WDEREUQCSA-N 1 2 233.315 1.852 20 0 BDADLO CC(C)[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000336347814 167350783 /nfs/dbraw/zinc/35/07/83/167350783.db2.gz TWXYQSBEHKVWOM-MRVPVSSYSA-N 1 2 208.261 1.440 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000341754670 167363994 /nfs/dbraw/zinc/36/39/94/167363994.db2.gz BGFDFCORRUPFEQ-VXGBXAGGSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000341754667 167366676 /nfs/dbraw/zinc/36/66/76/167366676.db2.gz BGFDFCORRUPFEQ-NEPJUHHUSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342076223 167374066 /nfs/dbraw/zinc/37/40/66/167374066.db2.gz MNYVWOOQAMEJMU-UTUOFQBUSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342076223 167374068 /nfs/dbraw/zinc/37/40/68/167374068.db2.gz MNYVWOOQAMEJMU-UTUOFQBUSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000041362634 410920201 /nfs/dbraw/zinc/92/02/01/410920201.db2.gz PLQDFTPZDORQCQ-SECBINFHSA-N 1 2 223.276 1.488 20 0 BDADLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000041362634 410920207 /nfs/dbraw/zinc/92/02/07/410920207.db2.gz PLQDFTPZDORQCQ-SECBINFHSA-N 1 2 223.276 1.488 20 0 BDADLO CCCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000651365116 410954445 /nfs/dbraw/zinc/95/44/45/410954445.db2.gz UQXBQNQFVCGTKK-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CCCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000651365116 410954446 /nfs/dbraw/zinc/95/44/46/410954446.db2.gz UQXBQNQFVCGTKK-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CCc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)no1 ZINC000651376755 410961144 /nfs/dbraw/zinc/96/11/44/410961144.db2.gz QEPTWQNNHSIFKG-VIFPVBQESA-N 1 2 248.286 1.445 20 0 BDADLO C[C@H](CC(=O)NCc1ccc[nH]1)n1cc[nH+]c1 ZINC000651401327 410985170 /nfs/dbraw/zinc/98/51/70/410985170.db2.gz PTSZJBRPSPPDET-SNVBAGLBSA-N 1 2 232.287 1.479 20 0 BDADLO Cc1cc(N[C@@H](CO)CCF)nc(C2CC2)[nH+]1 ZINC000651462116 411045078 /nfs/dbraw/zinc/04/50/78/411045078.db2.gz RENMEGVKBCHJGV-SNVBAGLBSA-N 1 2 239.294 1.217 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000651463742 411048460 /nfs/dbraw/zinc/04/84/60/411048460.db2.gz YMIAMKQRTYMYMR-KWQFWETISA-N 1 2 223.320 1.794 20 0 BDADLO C[C@H](CCO)N(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000651471256 411052482 /nfs/dbraw/zinc/05/24/82/411052482.db2.gz OHOWGRMNVJKYPL-SNVBAGLBSA-N 1 2 237.347 1.981 20 0 BDADLO CC(C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000042907153 411059621 /nfs/dbraw/zinc/05/96/21/411059621.db2.gz NIQSKGWCGDBMQA-UHFFFAOYSA-N 1 2 224.308 1.228 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(C2CC2)no1 ZINC000399228429 411024735 /nfs/dbraw/zinc/02/47/35/411024735.db2.gz ZVOPZXXIVSTLCH-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc(C2CC2)no1 ZINC000399228429 411024744 /nfs/dbraw/zinc/02/47/44/411024744.db2.gz ZVOPZXXIVSTLCH-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCO[C@@H](C2CC2)C1 ZINC000493698971 411146488 /nfs/dbraw/zinc/14/64/88/411146488.db2.gz XJYPFWVKSQEBBN-DLRQAJBASA-N 1 2 247.298 1.060 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2c(C)cnn2C)[C@H](C)CO1 ZINC000651932340 411150900 /nfs/dbraw/zinc/15/09/00/411150900.db2.gz RQSDPKNXFYRIDJ-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2c(C)cnn2C)[C@H](C)CO1 ZINC000651932340 411150901 /nfs/dbraw/zinc/15/09/01/411150901.db2.gz RQSDPKNXFYRIDJ-VXGBXAGGSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1C[N@H+](Cc2n[nH]cc2C)[C@H](C)CO1 ZINC000651931812 411150930 /nfs/dbraw/zinc/15/09/30/411150930.db2.gz DBHRCHDUXVSERL-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2n[nH]cc2C)[C@H](C)CO1 ZINC000651931812 411150931 /nfs/dbraw/zinc/15/09/31/411150931.db2.gz DBHRCHDUXVSERL-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@H+](Cc2[nH]ncc2C)[C@H](C)CO1 ZINC000651931812 411150932 /nfs/dbraw/zinc/15/09/32/411150932.db2.gz DBHRCHDUXVSERL-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2[nH]ncc2C)[C@H](C)CO1 ZINC000651931812 411150933 /nfs/dbraw/zinc/15/09/33/411150933.db2.gz DBHRCHDUXVSERL-MNOVXSKESA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nnc[nH]1)C1CCC1 ZINC000659992087 411158256 /nfs/dbraw/zinc/15/82/56/411158256.db2.gz ASZITTIJVZXVKA-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nnc[nH]1)C1CCC1 ZINC000659992087 411158258 /nfs/dbraw/zinc/15/82/58/411158258.db2.gz ASZITTIJVZXVKA-JTQLQIEISA-N 1 2 224.308 1.052 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)[C@H](C)CCO)nn1C ZINC000652050432 411097731 /nfs/dbraw/zinc/09/77/31/411097731.db2.gz CXNAJAGYSMPBLD-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)[C@H](C)CCO)nn1C ZINC000652050432 411097732 /nfs/dbraw/zinc/09/77/32/411097732.db2.gz CXNAJAGYSMPBLD-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1c(N[C@H]2CCCn3cc[nH+]c32)cnn1C ZINC000655748926 411161379 /nfs/dbraw/zinc/16/13/79/411161379.db2.gz NDADXDCIKQUMPN-JTQLQIEISA-N 1 2 231.303 1.872 20 0 BDADLO COCc1cc[nH+]c(N[C@@H]2CO[C@H](C)C2)c1 ZINC000652067727 411104340 /nfs/dbraw/zinc/10/43/40/411104340.db2.gz DVGZUPSHHYNQBM-KOLCDFICSA-N 1 2 222.288 1.817 20 0 BDADLO CC(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC000205262234 411174882 /nfs/dbraw/zinc/17/48/82/411174882.db2.gz MBOIHVWADTUKKI-UHFFFAOYSA-N 1 2 204.273 1.007 20 0 BDADLO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000656094541 411176140 /nfs/dbraw/zinc/17/61/40/411176140.db2.gz UALNLMHFBNKHJQ-JGZJWPJOSA-N 1 2 249.314 1.532 20 0 BDADLO CSc1ccc(N[C@H](C)Cn2cncn2)[nH+]c1 ZINC000657951029 411178841 /nfs/dbraw/zinc/17/88/41/411178841.db2.gz WRWWBBHCKAIRTH-SECBINFHSA-N 1 2 249.343 1.896 20 0 BDADLO COc1c(C)ncnc1N(C)Cc1[nH+]ccn1C ZINC000656106552 411179375 /nfs/dbraw/zinc/17/93/75/411179375.db2.gz KLBIJQPCQCUQKZ-UHFFFAOYSA-N 1 2 247.302 1.164 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ccoc1 ZINC000656111652 411180317 /nfs/dbraw/zinc/18/03/17/411180317.db2.gz XHAKODQNRCJYEW-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@](C)(O)C1CC1 ZINC000656125694 411183451 /nfs/dbraw/zinc/18/34/51/411183451.db2.gz ZHJLASJCKMIADC-LBPRGKRZSA-N 1 2 237.303 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](C)C[C@H](C)O ZINC000656128385 411183817 /nfs/dbraw/zinc/18/38/17/411183817.db2.gz QUSXQOBRNGAKHL-BDAKNGLRSA-N 1 2 239.319 1.613 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@H](C)[C@H](C)C1 ZINC000656132913 411184826 /nfs/dbraw/zinc/18/48/26/411184826.db2.gz WOBIBJSLJBDRAE-DTORHVGOSA-N 1 2 221.304 1.886 20 0 BDADLO CC[C@H]1CN(c2nc[nH+]c(C)c2OC)C[C@H]1O ZINC000656150249 411187673 /nfs/dbraw/zinc/18/76/73/411187673.db2.gz QQBZSGSJOJMRFA-VHSXEESVSA-N 1 2 237.303 1.001 20 0 BDADLO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)CO)CS1 ZINC000655757692 411189011 /nfs/dbraw/zinc/18/90/11/411189011.db2.gz XMEMAYBBAIZUQV-SFYZADRCSA-N 1 2 225.304 1.488 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H]([C@H](C)O)C1 ZINC000656155224 411189616 /nfs/dbraw/zinc/18/96/16/411189616.db2.gz MVYKKETWQKPHCS-VHSXEESVSA-N 1 2 237.303 1.001 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CC[C@@H](O)C1 ZINC000656175582 411192818 /nfs/dbraw/zinc/19/28/18/411192818.db2.gz ILCRSWGWKCDQGN-NXEZZACHSA-N 1 2 237.303 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CCOC[C@@H]1C ZINC000656178927 411193419 /nfs/dbraw/zinc/19/34/19/411193419.db2.gz GAGVIIJKHXYTGZ-WCBMZHEXSA-N 1 2 237.303 1.631 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](CO)CCF ZINC000652305021 411194814 /nfs/dbraw/zinc/19/48/14/411194814.db2.gz TWIYFHFUAQYSPI-CBAPKCEASA-N 1 2 215.272 1.089 20 0 BDADLO CC1(C)C(=O)N[C@H]1C1CC[NH+](CC(F)F)CC1 ZINC000653707198 411196305 /nfs/dbraw/zinc/19/63/05/411196305.db2.gz AJVWKYXPUZTAET-JTQLQIEISA-N 1 2 246.301 1.488 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)[C@@H]1CCCOC1 ZINC000656187919 411196583 /nfs/dbraw/zinc/19/65/83/411196583.db2.gz NBQJXKIKTMSLSB-SNVBAGLBSA-N 1 2 237.303 1.409 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H](CO)C(C)C ZINC000656188454 411197088 /nfs/dbraw/zinc/19/70/88/411197088.db2.gz XDGHHHPSVINMEM-SNVBAGLBSA-N 1 2 239.319 1.470 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1C[C@@H]1C(F)F ZINC000656188363 411197444 /nfs/dbraw/zinc/19/74/44/411197444.db2.gz HFZLYHSYCGFVRH-WHFBIAKZSA-N 1 2 230.218 1.133 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1C[C@@H]1C(F)F ZINC000656188363 411197447 /nfs/dbraw/zinc/19/74/47/411197447.db2.gz HFZLYHSYCGFVRH-WHFBIAKZSA-N 1 2 230.218 1.133 20 0 BDADLO C[C@@H](CO)[N@H+](C)CC(=O)c1ccccc1F ZINC000124401029 411198073 /nfs/dbraw/zinc/19/80/73/411198073.db2.gz CJWXNMDLOHTAHY-VIFPVBQESA-N 1 2 225.263 1.321 20 0 BDADLO C[C@@H](CO)[N@@H+](C)CC(=O)c1ccccc1F ZINC000124401029 411198075 /nfs/dbraw/zinc/19/80/75/411198075.db2.gz CJWXNMDLOHTAHY-VIFPVBQESA-N 1 2 225.263 1.321 20 0 BDADLO Cc1cnc(C)nc1NCCc1cn(C)c[nH+]1 ZINC000656199114 411201907 /nfs/dbraw/zinc/20/19/07/411201907.db2.gz NEHXNCXJESVLRZ-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000335245922 411206705 /nfs/dbraw/zinc/20/67/05/411206705.db2.gz ACGZMKBHDFPJBA-ZYHUDNBSSA-N 1 2 226.320 1.114 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12CCO[C@H](C)C2 ZINC000335245922 411206710 /nfs/dbraw/zinc/20/67/10/411206710.db2.gz ACGZMKBHDFPJBA-ZYHUDNBSSA-N 1 2 226.320 1.114 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000335245921 411206736 /nfs/dbraw/zinc/20/67/36/411206736.db2.gz ACGZMKBHDFPJBA-PWSUYJOCSA-N 1 2 226.320 1.114 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@@]12CCO[C@H](C)C2 ZINC000335245921 411206740 /nfs/dbraw/zinc/20/67/40/411206740.db2.gz ACGZMKBHDFPJBA-PWSUYJOCSA-N 1 2 226.320 1.114 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H](C)CC(F)F ZINC000656203580 411207393 /nfs/dbraw/zinc/20/73/93/411207393.db2.gz QYBUSVXOVXYMIT-ZCFIWIBFSA-N 1 2 246.261 1.771 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H](C)CC(F)F ZINC000656203580 411207397 /nfs/dbraw/zinc/20/73/97/411207397.db2.gz QYBUSVXOVXYMIT-ZCFIWIBFSA-N 1 2 246.261 1.771 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C(=O)N(C)C)C1 ZINC000656201789 411207917 /nfs/dbraw/zinc/20/79/17/411207917.db2.gz LBYYTPZGEYTVCJ-LLVKDONJSA-N 1 2 248.330 1.008 20 0 BDADLO CO[C@](C)(CO)CNc1[nH+]ccc(C)c1Cl ZINC000656205420 411208096 /nfs/dbraw/zinc/20/80/96/411208096.db2.gz GBLSZDLKYHUOQS-NSHDSACASA-N 1 2 244.722 1.853 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1csnn1 ZINC000658037478 411213318 /nfs/dbraw/zinc/21/33/18/411213318.db2.gz WVMXAGCGPOHDJT-BDAKNGLRSA-N 1 2 249.343 1.920 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000652365063 411217559 /nfs/dbraw/zinc/21/75/59/411217559.db2.gz SNZGMWIMRZAKMW-MNOVXSKESA-N 1 2 247.342 1.629 20 0 BDADLO CC(C)(C)n1nnc(COc2cc[nH+]cc2)n1 ZINC000655682582 411223610 /nfs/dbraw/zinc/22/36/10/411223610.db2.gz WCGLCRKCOCKBEB-UHFFFAOYSA-N 1 2 233.275 1.402 20 0 BDADLO C[C@@H](CC(=O)Nc1ccc(N)[nH+]c1)[C@H]1CCCO1 ZINC000659295130 411223573 /nfs/dbraw/zinc/22/35/73/411223573.db2.gz QVNYQRIUHVHJJB-GXSJLCMTSA-N 1 2 249.314 1.808 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1[nH+]cccc1C(=O)[O-] ZINC000049237809 411229009 /nfs/dbraw/zinc/22/90/09/411229009.db2.gz FVYDQKSGWDCFPS-SECBINFHSA-N 1 2 246.270 1.477 20 0 BDADLO FC(F)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000653722382 411247641 /nfs/dbraw/zinc/24/76/41/411247641.db2.gz BYWVDMZJQDBZLO-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO CCC[C@@H](OC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652413393 411233512 /nfs/dbraw/zinc/23/35/12/411233512.db2.gz XEAFNCDOQDZLBL-SECBINFHSA-N 1 2 239.319 1.576 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000653926347 411233620 /nfs/dbraw/zinc/23/36/20/411233620.db2.gz PNLHWFNRAYWEKF-TZMCWYRMSA-N 1 2 245.326 1.530 20 0 BDADLO CC(C)(NC(=O)C1CC(F)(F)C1)c1[nH]cc[nH+]1 ZINC000652411836 411234029 /nfs/dbraw/zinc/23/40/29/411234029.db2.gz ZSFCZKZCVANNNE-UHFFFAOYSA-N 1 2 243.257 1.806 20 0 BDADLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1Nc1cccc(C)c1 ZINC000422976402 411236127 /nfs/dbraw/zinc/23/61/27/411236127.db2.gz DDAXGRRASUPLMD-QWHCGFSZSA-N 1 2 248.326 1.701 20 0 BDADLO CCC1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652429287 411241783 /nfs/dbraw/zinc/24/17/83/411241783.db2.gz HQYOAPFGSKQACC-UHFFFAOYSA-N 1 2 247.342 1.630 20 0 BDADLO CC(C)(C(=O)NC1CC=CC1)c1c[nH]c[nH+]1 ZINC000652898191 411271094 /nfs/dbraw/zinc/27/10/94/411271094.db2.gz QIDDHJOAZJTSIW-UHFFFAOYSA-N 1 2 219.288 1.522 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCCC23CC3)[nH]1 ZINC000658157190 411271205 /nfs/dbraw/zinc/27/12/05/411271205.db2.gz ORIJQLPPWQLUPD-VIFPVBQESA-N 1 2 236.319 1.373 20 0 BDADLO CC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159059 411272516 /nfs/dbraw/zinc/27/25/16/411272516.db2.gz NBISZHZZKZYUMB-VHSXEESVSA-N 1 2 238.335 1.619 20 0 BDADLO c1c([C@@H]2COCC[NH2+]2)nnn1C1CCCC1 ZINC000656465156 411272669 /nfs/dbraw/zinc/27/26/69/411272669.db2.gz ZYWDZBASQPAQPE-NSHDSACASA-N 1 2 222.292 1.054 20 0 BDADLO Cn1nccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656686801 411328789 /nfs/dbraw/zinc/32/87/89/411328789.db2.gz XRBXTUYYBAWJTD-UHFFFAOYSA-N 1 2 233.237 1.804 20 0 BDADLO C(c1nnnn1C1CC1)[N@@H+]1CCC12CCCC2 ZINC000649655793 411292344 /nfs/dbraw/zinc/29/23/44/411292344.db2.gz QACJOYNHRARFHC-UHFFFAOYSA-N 1 2 233.319 1.527 20 0 BDADLO C(c1nnnn1C1CC1)[N@H+]1CCC12CCCC2 ZINC000649655793 411292348 /nfs/dbraw/zinc/29/23/48/411292348.db2.gz QACJOYNHRARFHC-UHFFFAOYSA-N 1 2 233.319 1.527 20 0 BDADLO c1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc(NC2CC2)[nH+]1 ZINC000413145529 411311929 /nfs/dbraw/zinc/31/19/29/411311929.db2.gz RQFOQIFEZRYJGN-MXWKQRLJSA-N 1 2 246.314 1.783 20 0 BDADLO c1nc(NC2CC2)cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]1 ZINC000413145529 411311931 /nfs/dbraw/zinc/31/19/31/411311931.db2.gz RQFOQIFEZRYJGN-MXWKQRLJSA-N 1 2 246.314 1.783 20 0 BDADLO Cc1cc(NC(=O)N(C[C@H](C)O)C2CC2)cc[nH+]1 ZINC000654025796 411319538 /nfs/dbraw/zinc/31/95/38/411319538.db2.gz PALDEMNVOLCPJR-JTQLQIEISA-N 1 2 249.314 1.189 20 0 BDADLO CCCCCOC1C[NH+](Cc2cn[nH]c2)C1 ZINC000656668018 411320513 /nfs/dbraw/zinc/32/05/13/411320513.db2.gz OOBPGXFQGRVJFU-UHFFFAOYSA-N 1 2 223.320 1.801 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000660136440 411253929 /nfs/dbraw/zinc/25/39/29/411253929.db2.gz ACXDKEOLQIJWDO-ZDUSSCGKSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000660136440 411253933 /nfs/dbraw/zinc/25/39/33/411253933.db2.gz ACXDKEOLQIJWDO-ZDUSSCGKSA-N 1 2 243.314 1.579 20 0 BDADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ncc[nH]1 ZINC000660141860 411256496 /nfs/dbraw/zinc/25/64/96/411256496.db2.gz JZIRKYCPLQCYRS-MRVPVSSYSA-N 1 2 231.246 1.266 20 0 BDADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ncc[nH]1 ZINC000660141860 411256501 /nfs/dbraw/zinc/25/65/01/411256501.db2.gz JZIRKYCPLQCYRS-MRVPVSSYSA-N 1 2 231.246 1.266 20 0 BDADLO COc1ccc(NCc2cnn3c2CCC3)[nH+]c1 ZINC000656770466 411363402 /nfs/dbraw/zinc/36/34/02/411363402.db2.gz CGZUPUHFPPVKPV-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@@H](C)S1 ZINC000069909020 411343834 /nfs/dbraw/zinc/34/38/34/411343834.db2.gz HZGMDGQYTGDOEV-NXEZZACHSA-N 1 2 238.356 1.904 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000275055197 168001894 /nfs/dbraw/zinc/00/18/94/168001894.db2.gz UQZZCCFIWNOENZ-UWVGGRQHSA-N 1 2 233.315 1.925 20 0 BDADLO CC1(C)COCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000659856517 411347207 /nfs/dbraw/zinc/34/72/07/411347207.db2.gz ATZSJOJZACQMHU-VIFPVBQESA-N 1 2 235.274 1.521 20 0 BDADLO CC1(C)COCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000659856517 411347211 /nfs/dbraw/zinc/34/72/11/411347211.db2.gz ATZSJOJZACQMHU-VIFPVBQESA-N 1 2 235.274 1.521 20 0 BDADLO CC1(C[NH2+]Cc2cscn2)OCCCO1 ZINC000192250321 168044385 /nfs/dbraw/zinc/04/43/85/168044385.db2.gz FJXAUWFMIOCHBF-UHFFFAOYSA-N 1 2 228.317 1.386 20 0 BDADLO CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000283597706 168054580 /nfs/dbraw/zinc/05/45/80/168054580.db2.gz XYHOXHXUSPVKQZ-SNAWJCMRSA-N 1 2 219.288 1.872 20 0 BDADLO CC(C)[C@H](C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486241 411376838 /nfs/dbraw/zinc/37/68/38/411376838.db2.gz SEKIJCALQAYZNG-JTQLQIEISA-N 1 2 239.367 1.904 20 0 BDADLO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(F)F ZINC000371151819 168070568 /nfs/dbraw/zinc/07/05/68/168070568.db2.gz QHQRCGUGELCEBT-JWHQNHQBSA-N 1 2 205.248 1.629 20 0 BDADLO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(F)F ZINC000371151819 168070569 /nfs/dbraw/zinc/07/05/69/168070569.db2.gz QHQRCGUGELCEBT-JWHQNHQBSA-N 1 2 205.248 1.629 20 0 BDADLO CC1=C(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000333218768 168077637 /nfs/dbraw/zinc/07/76/37/168077637.db2.gz DCBWYYPOCOXLSB-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO CC1=C(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000333218768 168077638 /nfs/dbraw/zinc/07/76/38/168077638.db2.gz DCBWYYPOCOXLSB-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1=C(C)OCCC1 ZINC000270196472 168078601 /nfs/dbraw/zinc/07/86/01/168078601.db2.gz PJBZNNCYYZJSBI-UHFFFAOYSA-N 1 2 235.287 1.419 20 0 BDADLO CC1=C(C)C[N@H+](Cc2nnc3n2CCOC3)CC1 ZINC000369164492 168085243 /nfs/dbraw/zinc/08/52/43/168085243.db2.gz MBHQAMBAXTXLKK-UHFFFAOYSA-N 1 2 248.330 1.350 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2nnc3n2CCOC3)CC1 ZINC000369164492 168085244 /nfs/dbraw/zinc/08/52/44/168085244.db2.gz MBHQAMBAXTXLKK-UHFFFAOYSA-N 1 2 248.330 1.350 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCCc2ccccc2C1 ZINC000659908156 411379301 /nfs/dbraw/zinc/37/93/01/411379301.db2.gz OKTOWAPEEOOMKF-UHFFFAOYSA-N 1 2 242.326 1.796 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCCc2ccccc2C1 ZINC000659908156 411379304 /nfs/dbraw/zinc/37/93/04/411379304.db2.gz OKTOWAPEEOOMKF-UHFFFAOYSA-N 1 2 242.326 1.796 20 0 BDADLO CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000032860168 168172577 /nfs/dbraw/zinc/17/25/77/168172577.db2.gz GCMLUAUHWILFPN-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO CC(C)[C@H](C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486241 411376836 /nfs/dbraw/zinc/37/68/36/411376836.db2.gz SEKIJCALQAYZNG-JTQLQIEISA-N 1 2 239.367 1.904 20 0 BDADLO CCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000070248314 168220927 /nfs/dbraw/zinc/22/09/27/168220927.db2.gz ZNBHFJAFJFCZDE-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042636196 168233230 /nfs/dbraw/zinc/23/32/30/168233230.db2.gz RPJIGSDMPSREKK-UHFFFAOYSA-N 1 2 233.315 1.708 20 0 BDADLO CCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000372550631 168241367 /nfs/dbraw/zinc/24/13/67/168241367.db2.gz OITIAGLPWOWEMB-VIFPVBQESA-N 1 2 207.277 1.033 20 0 BDADLO CCC(C)(C)CC(=O)NCCn1cc[nH+]c1 ZINC000362551214 168272822 /nfs/dbraw/zinc/27/28/22/168272822.db2.gz JJEIVRQMXOOKMP-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CCC(C)(C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000376981629 168280066 /nfs/dbraw/zinc/28/00/66/168280066.db2.gz JEWLHWOWAGUUCZ-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO CCC(C)(C)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000346275657 168284835 /nfs/dbraw/zinc/28/48/35/168284835.db2.gz RABGFXFHSUQGIR-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659812030 411459851 /nfs/dbraw/zinc/45/98/51/411459851.db2.gz OGWJJDTVSDONPJ-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659812030 411459853 /nfs/dbraw/zinc/45/98/53/411459853.db2.gz OGWJJDTVSDONPJ-BDAKNGLRSA-N 1 2 221.247 1.131 20 0 BDADLO CCc1nnc([C@@H](C)[NH+]2CCC(OC)CC2)[nH]1 ZINC000659809668 411460132 /nfs/dbraw/zinc/46/01/32/411460132.db2.gz AJHIOQKBYFZOBJ-SECBINFHSA-N 1 2 238.335 1.539 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](F)C1 ZINC000653013459 411395362 /nfs/dbraw/zinc/39/53/62/411395362.db2.gz VLERIOIBSMLCSA-JTQLQIEISA-N 1 2 225.267 1.234 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)[C@@H](C)CO1 ZINC000659822064 411461042 /nfs/dbraw/zinc/46/10/42/411461042.db2.gz LCMKIGIBMVEZTI-IVZWLZJFSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)[C@@H](C)CO1 ZINC000659822064 411461044 /nfs/dbraw/zinc/46/10/44/411461044.db2.gz LCMKIGIBMVEZTI-IVZWLZJFSA-N 1 2 235.274 1.520 20 0 BDADLO CC(C)C1CC[NH+](CCc2cnn[nH]2)CC1 ZINC000659957135 411399676 /nfs/dbraw/zinc/39/96/76/411399676.db2.gz PNVRXDVLXLYQOQ-UHFFFAOYSA-N 1 2 222.336 1.715 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000660329445 411417698 /nfs/dbraw/zinc/41/76/98/411417698.db2.gz BGCZXQVLXIZAQB-GUBZILKMSA-N 1 2 238.335 1.131 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](O)[C@@H](C)C2)[nH]1 ZINC000660329445 411417701 /nfs/dbraw/zinc/41/77/01/411417701.db2.gz BGCZXQVLXIZAQB-GUBZILKMSA-N 1 2 238.335 1.131 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653568805 411424614 /nfs/dbraw/zinc/42/46/14/411424614.db2.gz LKIPZIUSILCBKW-AOOOYVTPSA-N 1 2 237.351 1.801 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653568805 411424616 /nfs/dbraw/zinc/42/46/16/411424616.db2.gz LKIPZIUSILCBKW-AOOOYVTPSA-N 1 2 237.351 1.801 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)sn1 ZINC000659821552 411462750 /nfs/dbraw/zinc/46/27/50/411462750.db2.gz OFKICZIWLMBEDY-IUCAKERBSA-N 1 2 242.344 1.761 20 0 BDADLO COc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)sn1 ZINC000659821552 411462751 /nfs/dbraw/zinc/46/27/51/411462751.db2.gz OFKICZIWLMBEDY-IUCAKERBSA-N 1 2 242.344 1.761 20 0 BDADLO CC(C)(C)n1cc(COCc2[nH]cc[nH+]2)nn1 ZINC000657256494 411429914 /nfs/dbraw/zinc/42/99/14/411429914.db2.gz YVPKLTILHJDEKO-UHFFFAOYSA-N 1 2 235.291 1.473 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000654702503 411433083 /nfs/dbraw/zinc/43/30/83/411433083.db2.gz RGUIOQQLEHJQCL-APPZFPTMSA-N 1 2 239.344 1.799 20 0 BDADLO OCCn1cc(N[C@@H]2CCCn3cc[nH+]c32)cn1 ZINC000655748459 411449634 /nfs/dbraw/zinc/44/96/34/411449634.db2.gz BOVQGCLSUNKOAX-LLVKDONJSA-N 1 2 247.302 1.019 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000653625536 411450224 /nfs/dbraw/zinc/45/02/24/411450224.db2.gz IJFRTJHEODNGQJ-MNOVXSKESA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000653625536 411450227 /nfs/dbraw/zinc/45/02/27/411450227.db2.gz IJFRTJHEODNGQJ-MNOVXSKESA-N 1 2 249.362 1.803 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000637948209 411450510 /nfs/dbraw/zinc/45/05/10/411450510.db2.gz KKCPSUNGXGIARV-CHWSQXEVSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@@H]1COCC[N@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000637948209 411450515 /nfs/dbraw/zinc/45/05/15/411450515.db2.gz KKCPSUNGXGIARV-CHWSQXEVSA-N 1 2 249.358 1.982 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC=CCC1 ZINC000654988021 411470253 /nfs/dbraw/zinc/47/02/53/411470253.db2.gz VNRDYRWYPLAGQQ-SNVBAGLBSA-N 1 2 219.288 1.377 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC=CCC1 ZINC000654988021 411470255 /nfs/dbraw/zinc/47/02/55/411470255.db2.gz VNRDYRWYPLAGQQ-SNVBAGLBSA-N 1 2 219.288 1.377 20 0 BDADLO COC[C@H](C[N@H+](C)Cc1cc(C)on1)OC ZINC000659837915 411470660 /nfs/dbraw/zinc/47/06/60/411470660.db2.gz KWURNXVJMWVXPQ-NSHDSACASA-N 1 2 228.292 1.076 20 0 BDADLO COC[C@H](C[N@@H+](C)Cc1cc(C)on1)OC ZINC000659837915 411470661 /nfs/dbraw/zinc/47/06/61/411470661.db2.gz KWURNXVJMWVXPQ-NSHDSACASA-N 1 2 228.292 1.076 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cn(C)cn1 ZINC000659840386 411471666 /nfs/dbraw/zinc/47/16/66/411471666.db2.gz FDMUZIQOZRMVOO-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cn(C)cn1 ZINC000659840386 411471668 /nfs/dbraw/zinc/47/16/68/411471668.db2.gz FDMUZIQOZRMVOO-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC(C)n1cc[nH+]c1CNCc1cocn1 ZINC000657355364 411478224 /nfs/dbraw/zinc/47/82/24/411478224.db2.gz KMSNMZLHWYZKRJ-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](CO)c2ccccc2)n1 ZINC000657364753 411481554 /nfs/dbraw/zinc/48/15/54/411481554.db2.gz ZRHKDCVEEHMYNF-GFCCVEGCSA-N 1 2 231.299 1.541 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CCCOCC2)[nH]1 ZINC000659861347 411481631 /nfs/dbraw/zinc/48/16/31/411481631.db2.gz STNBDHRBUSEPTL-SECBINFHSA-N 1 2 224.308 1.150 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CCCOCC2)[nH]1 ZINC000659861347 411481632 /nfs/dbraw/zinc/48/16/32/411481632.db2.gz STNBDHRBUSEPTL-SECBINFHSA-N 1 2 224.308 1.150 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](n3cncn3)C2)co1 ZINC000659899098 411491156 /nfs/dbraw/zinc/49/11/56/411491156.db2.gz INEKITBSPWVFCC-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](n3cncn3)C2)co1 ZINC000659899098 411491159 /nfs/dbraw/zinc/49/11/59/411491159.db2.gz INEKITBSPWVFCC-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1C1CC1 ZINC000655123400 411499268 /nfs/dbraw/zinc/49/92/68/411499268.db2.gz FFALIESXNCYMCL-JOYOIKCWSA-N 1 2 233.315 1.599 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1C1CC1 ZINC000655123400 411499269 /nfs/dbraw/zinc/49/92/69/411499269.db2.gz FFALIESXNCYMCL-JOYOIKCWSA-N 1 2 233.315 1.599 20 0 BDADLO Cc1nc(C[N@H+](C)CCc2noc(C)n2)co1 ZINC000660080131 411534134 /nfs/dbraw/zinc/53/41/34/411534134.db2.gz OLBIHWFZOQXGDM-UHFFFAOYSA-N 1 2 236.275 1.349 20 0 BDADLO Cc1nc(C[N@@H+](C)CCc2noc(C)n2)co1 ZINC000660080131 411534136 /nfs/dbraw/zinc/53/41/36/411534136.db2.gz OLBIHWFZOQXGDM-UHFFFAOYSA-N 1 2 236.275 1.349 20 0 BDADLO Cc1c(C[NH2+]Cc2cc3n(n2)CCC3)cnn1C ZINC000657420076 411502302 /nfs/dbraw/zinc/50/23/02/411502302.db2.gz SHQHVUHXULZHPX-UHFFFAOYSA-N 1 2 245.330 1.161 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000659933221 411503344 /nfs/dbraw/zinc/50/33/44/411503344.db2.gz XNULXVWULBCBOK-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000659933221 411503345 /nfs/dbraw/zinc/50/33/45/411503345.db2.gz XNULXVWULBCBOK-ZDUSSCGKSA-N 1 2 235.331 1.704 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1nccn1C(C)C ZINC000657439665 411508154 /nfs/dbraw/zinc/50/81/54/411508154.db2.gz LHCGJINQGJDDMS-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO Cc1c[nH]c(CN[C@@H](C)c2nnc(C)s2)[nH+]1 ZINC000657436930 411508803 /nfs/dbraw/zinc/50/88/03/411508803.db2.gz WDWRXNZAGPCBFX-ZETCQYMHSA-N 1 2 237.332 1.729 20 0 BDADLO CCC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655795346 411516543 /nfs/dbraw/zinc/51/65/43/411516543.db2.gz AIFYXPRZKKDSSZ-ZJUUUORDSA-N 1 2 238.335 1.934 20 0 BDADLO CC(C)n1ccnc1CNc1ccc(CO)c[nH+]1 ZINC000657467754 411517386 /nfs/dbraw/zinc/51/73/86/411517386.db2.gz ACXHJVDBEZTGCY-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO CC(C)[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655797869 411517411 /nfs/dbraw/zinc/51/74/11/411517411.db2.gz RIBYPVISGSUKKE-VHSXEESVSA-N 1 2 238.335 1.790 20 0 BDADLO Cc1c[nH]c(CN[C@H]2CCCC2(F)F)[nH+]1 ZINC000657467347 411520586 /nfs/dbraw/zinc/52/05/86/411520586.db2.gz ZYPDEVPMALCXIO-QMMMGPOBSA-N 1 2 215.247 1.996 20 0 BDADLO CO[C@@](C)(CO)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000655809320 411522619 /nfs/dbraw/zinc/52/26/19/411522619.db2.gz XEOMWFAZXLTDOR-CYBMUJFWSA-N 1 2 249.314 1.050 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659992180 411522822 /nfs/dbraw/zinc/52/28/22/411522822.db2.gz BILMPZGONLSLJJ-MXWKQRLJSA-N 1 2 220.320 1.673 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659992180 411522824 /nfs/dbraw/zinc/52/28/24/411522824.db2.gz BILMPZGONLSLJJ-MXWKQRLJSA-N 1 2 220.320 1.673 20 0 BDADLO CO[C@H](C[N@H+](C)Cc1nnc[nH]1)C1CCCC1 ZINC000659995850 411523477 /nfs/dbraw/zinc/52/34/77/411523477.db2.gz WJYFUMJRPKIYPX-LLVKDONJSA-N 1 2 238.335 1.442 20 0 BDADLO CO[C@H](C[N@@H+](C)Cc1nnc[nH]1)C1CCCC1 ZINC000659995850 411523480 /nfs/dbraw/zinc/52/34/80/411523480.db2.gz WJYFUMJRPKIYPX-LLVKDONJSA-N 1 2 238.335 1.442 20 0 BDADLO CC[C@@H](NCc1[nH]cc(C)[nH+]1)C(F)F ZINC000657476836 411524930 /nfs/dbraw/zinc/52/49/30/411524930.db2.gz NTNKNCLUUFNDAL-SSDOTTSWSA-N 1 2 203.236 1.851 20 0 BDADLO CC(F)(F)C[NH2+]Cc1cnn2c1CCC2 ZINC000657475281 411525060 /nfs/dbraw/zinc/52/50/60/411525060.db2.gz MUPXNCIWSIGNQN-UHFFFAOYSA-N 1 2 215.247 1.574 20 0 BDADLO CC[C@H](C)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655818620 411525642 /nfs/dbraw/zinc/52/56/42/411525642.db2.gz MLGOYXRTFWWESO-UWVGGRQHSA-N 1 2 238.335 1.792 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC(C)(C)C ZINC000362041830 170001022 /nfs/dbraw/zinc/00/10/22/170001022.db2.gz APXAEDMOWIQAIH-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC(C)(C)C ZINC000362041830 170001024 /nfs/dbraw/zinc/00/10/24/170001024.db2.gz APXAEDMOWIQAIH-LLVKDONJSA-N 1 2 242.363 1.212 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CC[C@H](C)OC)[C@@H](C)C1 ZINC000336762914 170035911 /nfs/dbraw/zinc/03/59/11/170035911.db2.gz OHSUKLKRGXUWHX-SRVKXCTJSA-N 1 2 214.353 1.341 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]C[C@@H](CO)C(C)C)[C@@H](C)C1 ZINC000336782726 170036272 /nfs/dbraw/zinc/03/62/72/170036272.db2.gz YQLITKYOEHYJFG-AVGNSLFASA-N 1 2 228.380 1.181 20 0 BDADLO CCNC(=O)CN(CC)c1cccc[nH+]1 ZINC000298706557 170057668 /nfs/dbraw/zinc/05/76/68/170057668.db2.gz GRBMGLXPMIKBGI-UHFFFAOYSA-N 1 2 207.277 1.044 20 0 BDADLO CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285373283 170059070 /nfs/dbraw/zinc/05/90/70/170059070.db2.gz MRJSXLKIZNTAGR-LLVKDONJSA-N 1 2 236.319 1.073 20 0 BDADLO CCNC(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285373283 170059071 /nfs/dbraw/zinc/05/90/71/170059071.db2.gz MRJSXLKIZNTAGR-LLVKDONJSA-N 1 2 236.319 1.073 20 0 BDADLO CN(Cc1nnc(C(C)(C)C)[nH]1)Cc1[nH]cc[nH+]1 ZINC000660140983 411543849 /nfs/dbraw/zinc/54/38/49/411543849.db2.gz CQFMMVIJNRNVHV-UHFFFAOYSA-N 1 2 248.334 1.457 20 0 BDADLO Cc1cc(CN(C)Cc2[nH+]ccn2C)nc(C)n1 ZINC000660138466 411543857 /nfs/dbraw/zinc/54/38/57/411543857.db2.gz VDPAWRTXAJUYSE-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000049070434 170080792 /nfs/dbraw/zinc/08/07/92/170080792.db2.gz YJNSMQKZTAMPSN-UHFFFAOYSA-N 1 2 232.287 1.462 20 0 BDADLO CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177711831 170081142 /nfs/dbraw/zinc/08/11/42/170081142.db2.gz YWPSVLRCOWKKFO-UHFFFAOYSA-N 1 2 218.260 1.153 20 0 BDADLO CCNC(=O)[C@@H](C)Nc1[nH+]c2ccccc2n1C ZINC000079045736 170090253 /nfs/dbraw/zinc/09/02/53/170090253.db2.gz MAGWVLKQNBYRHC-SECBINFHSA-N 1 2 246.314 1.510 20 0 BDADLO CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117593825 170103862 /nfs/dbraw/zinc/10/38/62/170103862.db2.gz AHKNPTXDODIKCS-UHFFFAOYSA-N 1 2 215.256 1.622 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)on1 ZINC000660221675 411555836 /nfs/dbraw/zinc/55/58/36/411555836.db2.gz QJSSZASREYLQNP-PSASIEDQSA-N 1 2 228.267 1.863 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)on1 ZINC000660221675 411555838 /nfs/dbraw/zinc/55/58/38/411555838.db2.gz QJSSZASREYLQNP-PSASIEDQSA-N 1 2 228.267 1.863 20 0 BDADLO CC(C)N1CC[N@H+](Cc2cccc(N)c2)CC1=O ZINC000660234118 411555953 /nfs/dbraw/zinc/55/59/53/411555953.db2.gz IEMZWZULHZJCQK-UHFFFAOYSA-N 1 2 247.342 1.321 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2cccc(N)c2)CC1=O ZINC000660234118 411555955 /nfs/dbraw/zinc/55/59/55/411555955.db2.gz IEMZWZULHZJCQK-UHFFFAOYSA-N 1 2 247.342 1.321 20 0 BDADLO COc1cc(CN(C)Cc2[nH]cc[nH+]2)on1 ZINC000660142169 411545024 /nfs/dbraw/zinc/54/50/24/411545024.db2.gz PUIHOKUDHNQZBN-UHFFFAOYSA-N 1 2 222.248 1.038 20 0 BDADLO CCc1nnc([C@@H](C)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000660144681 411545743 /nfs/dbraw/zinc/54/57/43/411545743.db2.gz XNSIQWDACGEOQS-MRVPVSSYSA-N 1 2 235.291 1.548 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccccn1 ZINC000119860681 170186599 /nfs/dbraw/zinc/18/65/99/170186599.db2.gz BWTCJUZTSURXFX-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccccn1 ZINC000119860681 170186600 /nfs/dbraw/zinc/18/66/00/170186600.db2.gz BWTCJUZTSURXFX-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCc1cccnc1 ZINC000258844536 170187741 /nfs/dbraw/zinc/18/77/41/170187741.db2.gz REWAUHRICYOAAQ-UHFFFAOYSA-N 1 2 236.315 1.555 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000660163325 411549326 /nfs/dbraw/zinc/54/93/26/411549326.db2.gz UJSPQVXKKZMSKG-CABZTGNLSA-N 1 2 238.335 1.275 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@](C)(O)C2)[nH]1 ZINC000660163325 411549327 /nfs/dbraw/zinc/54/93/27/411549327.db2.gz UJSPQVXKKZMSKG-CABZTGNLSA-N 1 2 238.335 1.275 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H](C)OC ZINC000336779219 170188372 /nfs/dbraw/zinc/18/83/72/170188372.db2.gz NNGACHVKLPJUJK-JTQLQIEISA-N 1 2 231.336 1.733 20 0 BDADLO CCOC(=O)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000105985609 170199048 /nfs/dbraw/zinc/19/90/48/170199048.db2.gz MVIJMJJYZHGDBL-UHFFFAOYSA-N 1 2 236.271 1.672 20 0 BDADLO CCOC(=O)C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000341663419 170214008 /nfs/dbraw/zinc/21/40/08/170214008.db2.gz XCBXBIAJIKVHOY-UHFFFAOYSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000341663419 170214009 /nfs/dbraw/zinc/21/40/09/170214009.db2.gz XCBXBIAJIKVHOY-UHFFFAOYSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)C[N@H+](C)CCSCC ZINC000122954284 170215340 /nfs/dbraw/zinc/21/53/40/170215340.db2.gz PVVZGRQNRIEQFQ-UHFFFAOYSA-N 1 2 205.323 1.234 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCSCC ZINC000122954284 170215341 /nfs/dbraw/zinc/21/53/41/170215341.db2.gz PVVZGRQNRIEQFQ-UHFFFAOYSA-N 1 2 205.323 1.234 20 0 BDADLO CCOC(=O)C[N@@H+]1CCCO[C@H](CC)C1 ZINC000300930210 170218827 /nfs/dbraw/zinc/21/88/27/170218827.db2.gz QXDNWKJAQDJDJT-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@H+]1CCCO[C@H](CC)C1 ZINC000300930210 170218829 /nfs/dbraw/zinc/21/88/29/170218829.db2.gz QXDNWKJAQDJDJT-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374133852 170219448 /nfs/dbraw/zinc/21/94/48/170219448.db2.gz XRKQPSFGDAOYPB-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289863058 170220099 /nfs/dbraw/zinc/22/00/99/170220099.db2.gz LHLVZLDXMWSARX-LLVKDONJSA-N 1 2 237.303 1.001 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289863058 170220100 /nfs/dbraw/zinc/22/01/00/170220100.db2.gz LHLVZLDXMWSARX-LLVKDONJSA-N 1 2 237.303 1.001 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000377850065 170226585 /nfs/dbraw/zinc/22/65/85/170226585.db2.gz CBUBGNQEMLEQNX-KWCYVHTRSA-N 1 2 231.295 1.477 20 0 BDADLO CCOC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000309643937 170226670 /nfs/dbraw/zinc/22/66/70/170226670.db2.gz LOBYTFRUMWWNSB-NEPJUHHUSA-N 1 2 227.304 1.097 20 0 BDADLO CC[N@H+](Cc1cn(C)nn1)[C@H]1COC(C)(C)C1 ZINC000660237609 411556553 /nfs/dbraw/zinc/55/65/53/411556553.db2.gz CKYJRMGGIJOBFA-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO CC[N@@H+](Cc1cn(C)nn1)[C@H]1COC(C)(C)C1 ZINC000660237609 411556555 /nfs/dbraw/zinc/55/65/55/411556555.db2.gz CKYJRMGGIJOBFA-LLVKDONJSA-N 1 2 238.335 1.205 20 0 BDADLO CCOC(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000054115018 170240084 /nfs/dbraw/zinc/24/00/84/170240084.db2.gz ANNKTYHDKLDHIF-ONEGZZNKSA-N 1 2 232.711 1.513 20 0 BDADLO CO[C@@H](C[N@@H+]1CCn2cc(C)nc2C1)C1CCC1 ZINC000660239659 411557675 /nfs/dbraw/zinc/55/76/75/411557675.db2.gz WDOBEEMCJBTDLI-ZDUSSCGKSA-N 1 2 249.358 1.822 20 0 BDADLO CO[C@@H](C[N@H+]1CCn2cc(C)nc2C1)C1CCC1 ZINC000660239659 411557677 /nfs/dbraw/zinc/55/76/77/411557677.db2.gz WDOBEEMCJBTDLI-ZDUSSCGKSA-N 1 2 249.358 1.822 20 0 BDADLO CCOC(=O)[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000302557567 170249331 /nfs/dbraw/zinc/24/93/31/170249331.db2.gz LYFHRDAPKFZHLA-VHSXEESVSA-N 1 2 237.303 1.785 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H]1CCOC1(C)C ZINC000328392489 170251016 /nfs/dbraw/zinc/25/10/16/170251016.db2.gz OVNQNKOHPQKNFR-ZJUUUORDSA-N 1 2 229.320 1.485 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCOC1(C)C ZINC000328392471 170251283 /nfs/dbraw/zinc/25/12/83/170251283.db2.gz OVNQNKOHPQKNFR-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660245144 411559142 /nfs/dbraw/zinc/55/91/42/411559142.db2.gz OEWOIIVEZRPHCD-RKDXNWHRSA-N 1 2 224.308 1.579 20 0 BDADLO CCOC(=O)[C@@H](NCc1c[nH+]c[nH]1)[C@H](C)CC ZINC000187862016 170255572 /nfs/dbraw/zinc/25/55/72/170255572.db2.gz IAIXJRQIPFSHSI-KOLCDFICSA-N 1 2 239.319 1.477 20 0 BDADLO CCOC(=O)[C@@H](NCc1c[nH]c[nH+]1)[C@H](C)CC ZINC000187862016 170255573 /nfs/dbraw/zinc/25/55/73/170255573.db2.gz IAIXJRQIPFSHSI-KOLCDFICSA-N 1 2 239.319 1.477 20 0 BDADLO CCOC(=O)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC000176975657 170264593 /nfs/dbraw/zinc/26/45/93/170264593.db2.gz BDKWIYUTXPYQGA-MRVPVSSYSA-N 1 2 223.276 1.396 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000354843248 170265226 /nfs/dbraw/zinc/26/52/26/170265226.db2.gz VMYUHEMZWBMABO-OUAUKWLOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000354843248 170265227 /nfs/dbraw/zinc/26/52/27/170265227.db2.gz VMYUHEMZWBMABO-OUAUKWLOSA-N 1 2 229.320 1.437 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043642142 170266578 /nfs/dbraw/zinc/26/65/78/170266578.db2.gz DCMKUCDCWQPIIL-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043642142 170266579 /nfs/dbraw/zinc/26/65/79/170266579.db2.gz DCMKUCDCWQPIIL-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](CC)C(=O)OC ZINC000338284592 170270481 /nfs/dbraw/zinc/27/04/81/170270481.db2.gz CLFDAWRQUUAJRN-KXUCPTDWSA-N 1 2 245.319 1.115 20 0 BDADLO COCc1nnc(C[NH2+]CCCC(C)C)[nH]1 ZINC000657608186 411561766 /nfs/dbraw/zinc/56/17/66/411561766.db2.gz SKVNRYCGNVFNSW-UHFFFAOYSA-N 1 2 226.324 1.477 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCC[C@H]2C)[nH]1 ZINC000657607771 411561902 /nfs/dbraw/zinc/56/19/02/411561902.db2.gz KJGRNTCIHKSRDK-RKDXNWHRSA-N 1 2 224.308 1.229 20 0 BDADLO Cc1nc(C[NH2+][C@H](C)c2cn[nH]c2)co1 ZINC000660272416 411563250 /nfs/dbraw/zinc/56/32/50/411563250.db2.gz BAMCXUVZDOLQMV-SSDOTTSWSA-N 1 2 206.249 1.557 20 0 BDADLO COc1cc(C[NH2+][C@H](C)c2cn[nH]c2)on1 ZINC000660274068 411563344 /nfs/dbraw/zinc/56/33/44/411563344.db2.gz NDDBFRGDIXQPFX-SSDOTTSWSA-N 1 2 222.248 1.257 20 0 BDADLO CCOC(=O)[C@H]1CCCCN1Cc1c[nH+]c[nH]1 ZINC000179649952 170279696 /nfs/dbraw/zinc/27/96/96/170279696.db2.gz DGKLYCCGZXXZIW-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)[C@H]1CCCCN1Cc1c[nH]c[nH+]1 ZINC000179649952 170279698 /nfs/dbraw/zinc/27/96/98/170279698.db2.gz DGKLYCCGZXXZIW-LLVKDONJSA-N 1 2 237.303 1.327 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000092432414 170280619 /nfs/dbraw/zinc/28/06/19/170280619.db2.gz VTFSYUJXSTZOMH-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000092432414 170280621 /nfs/dbraw/zinc/28/06/21/170280621.db2.gz VTFSYUJXSTZOMH-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(C)C ZINC000660334858 411571880 /nfs/dbraw/zinc/57/18/80/411571880.db2.gz TWZFCEIQICQFNT-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(C)C ZINC000660334858 411571882 /nfs/dbraw/zinc/57/18/82/411571882.db2.gz TWZFCEIQICQFNT-UHFFFAOYSA-N 1 2 238.335 1.987 20 0 BDADLO CCOC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000296118357 170336091 /nfs/dbraw/zinc/33/60/91/170336091.db2.gz LHHWOSQGBQEGNK-CYBMUJFWSA-N 1 2 239.290 1.580 20 0 BDADLO CCOC1C[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000297484382 170336676 /nfs/dbraw/zinc/33/66/76/170336676.db2.gz SOJABJJIMZIRAP-UHFFFAOYSA-N 1 2 245.273 1.369 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1cn[nH]c1C ZINC000293081468 170355040 /nfs/dbraw/zinc/35/50/40/170355040.db2.gz WHJCWJLERGXZHO-UHFFFAOYSA-N 1 2 211.309 1.623 20 0 BDADLO CCOCCC(=O)Nc1c[nH+]ccc1OC ZINC000076804083 170363631 /nfs/dbraw/zinc/36/36/31/170363631.db2.gz KYRHYNKKQOYZIZ-UHFFFAOYSA-N 1 2 224.260 1.455 20 0 BDADLO CCOCC[N@H+](CC)Cc1cc(COC)on1 ZINC000297871608 170394457 /nfs/dbraw/zinc/39/44/57/170394457.db2.gz PWQYFKCCYROGDK-UHFFFAOYSA-N 1 2 242.319 1.679 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cc(COC)on1 ZINC000297871608 170394459 /nfs/dbraw/zinc/39/44/59/170394459.db2.gz PWQYFKCCYROGDK-UHFFFAOYSA-N 1 2 242.319 1.679 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2cnn[nH]2)CCS1 ZINC000660413465 411581499 /nfs/dbraw/zinc/58/14/99/411581499.db2.gz QYLVIXPDDRTPJR-SECBINFHSA-N 1 2 226.349 1.175 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2cnn[nH]2)CCS1 ZINC000660413465 411581500 /nfs/dbraw/zinc/58/15/00/411581500.db2.gz QYLVIXPDDRTPJR-SECBINFHSA-N 1 2 226.349 1.175 20 0 BDADLO CC[N@H+](Cc1cc(C2CC2)no1)[C@H]1CCNC1=O ZINC000660479108 411591078 /nfs/dbraw/zinc/59/10/78/411591078.db2.gz WZSOMRANRIKXMB-LBPRGKRZSA-N 1 2 249.314 1.262 20 0 BDADLO CC[N@@H+](Cc1cc(C2CC2)no1)[C@H]1CCNC1=O ZINC000660479108 411591080 /nfs/dbraw/zinc/59/10/80/411591080.db2.gz WZSOMRANRIKXMB-LBPRGKRZSA-N 1 2 249.314 1.262 20 0 BDADLO CCOC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000336762319 170448100 /nfs/dbraw/zinc/44/81/00/170448100.db2.gz NSAQXMOHHOXXOE-JGVFFNPUSA-N 1 2 213.281 1.454 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CC3)nc(C)n1 ZINC000660489575 411593993 /nfs/dbraw/zinc/59/39/93/411593993.db2.gz PLVKJWVFKKZNDG-UHFFFAOYSA-N 1 2 233.315 1.458 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CC3)nc(C)n1 ZINC000660489575 411593995 /nfs/dbraw/zinc/59/39/95/411593995.db2.gz PLVKJWVFKKZNDG-UHFFFAOYSA-N 1 2 233.315 1.458 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@H](C)OC)[nH]1 ZINC000660553447 411598794 /nfs/dbraw/zinc/59/87/94/411598794.db2.gz YWEKVMQWJLQUDA-DTWKUNHWSA-N 1 2 226.324 1.395 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@H](C)OC)[nH]1 ZINC000660553447 411598796 /nfs/dbraw/zinc/59/87/96/411598796.db2.gz YWEKVMQWJLQUDA-DTWKUNHWSA-N 1 2 226.324 1.395 20 0 BDADLO COCCOCC[N@H+](C)Cc1nc(C)oc1C ZINC000660560422 411600052 /nfs/dbraw/zinc/60/00/52/411600052.db2.gz GUHXFRWHCGHRQO-UHFFFAOYSA-N 1 2 242.319 1.386 20 0 BDADLO COCCOCC[N@@H+](C)Cc1nc(C)oc1C ZINC000660560422 411600054 /nfs/dbraw/zinc/60/00/54/411600054.db2.gz GUHXFRWHCGHRQO-UHFFFAOYSA-N 1 2 242.319 1.386 20 0 BDADLO FC(F)(F)[C@@H]1CCN1CCn1cc[nH+]c1 ZINC000660571039 411601502 /nfs/dbraw/zinc/60/15/02/411601502.db2.gz KHTMHYRAESVZGN-QMMMGPOBSA-N 1 2 219.210 1.520 20 0 BDADLO CCc1nnc(CN2CCn3c[nH+]cc3C2)s1 ZINC000660581570 411602828 /nfs/dbraw/zinc/60/28/28/411602828.db2.gz HBOCTBURNBNJIO-UHFFFAOYSA-N 1 2 249.343 1.313 20 0 BDADLO Cc1nc(C)c(CN2CCn3c[nH+]cc3C2)o1 ZINC000660581567 411603418 /nfs/dbraw/zinc/60/34/18/411603418.db2.gz GUIVMXLYZBKFPC-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO Cc1cnc([C@H](C)N2CCn3c[nH+]cc3C2)o1 ZINC000660582054 411603442 /nfs/dbraw/zinc/60/34/42/411603442.db2.gz OACPKKYFSVUPCT-JTQLQIEISA-N 1 2 232.287 1.756 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000657814878 411604427 /nfs/dbraw/zinc/60/44/27/411604427.db2.gz GGVIONWRPXVVKK-FZMZJTMJSA-N 1 2 245.326 1.930 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660643902 411611443 /nfs/dbraw/zinc/61/14/43/411611443.db2.gz FFOGLTMWQAFIPG-MNOVXSKESA-N 1 2 248.317 1.437 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660643902 411611445 /nfs/dbraw/zinc/61/14/45/411611445.db2.gz FFOGLTMWQAFIPG-MNOVXSKESA-N 1 2 248.317 1.437 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000660648214 411612572 /nfs/dbraw/zinc/61/25/72/411612572.db2.gz WTYOUPLEJDDKNH-AWEZNQCLSA-N 1 2 249.358 1.811 20 0 BDADLO Cn1cnc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000660648214 411612573 /nfs/dbraw/zinc/61/25/73/411612573.db2.gz WTYOUPLEJDDKNH-AWEZNQCLSA-N 1 2 249.358 1.811 20 0 BDADLO CCN1CC[C@@H]([N@H+](C)Cc2ccccn2)C1=O ZINC000660680757 411617095 /nfs/dbraw/zinc/61/70/95/411617095.db2.gz XCOIODDWSKEHIC-GFCCVEGCSA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[C@@H]([N@@H+](C)Cc2ccccn2)C1=O ZINC000660680757 411617096 /nfs/dbraw/zinc/61/70/96/411617096.db2.gz XCOIODDWSKEHIC-GFCCVEGCSA-N 1 2 233.315 1.134 20 0 BDADLO O[C@@H]([C@@H]1CC[N@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741801 411620173 /nfs/dbraw/zinc/62/01/73/411620173.db2.gz SJDYZIMHEOGMQD-APPZFPTMSA-N 1 2 249.236 1.155 20 0 BDADLO O[C@@H]([C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1)C(F)(F)F ZINC000660741801 411620174 /nfs/dbraw/zinc/62/01/74/411620174.db2.gz SJDYZIMHEOGMQD-APPZFPTMSA-N 1 2 249.236 1.155 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000660739795 411620404 /nfs/dbraw/zinc/62/04/04/411620404.db2.gz YZZTXCOLKVZIHW-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO Cn1cnc(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000660739795 411620405 /nfs/dbraw/zinc/62/04/05/411620405.db2.gz YZZTXCOLKVZIHW-UHFFFAOYSA-N 1 2 249.358 1.955 20 0 BDADLO OCCC[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000660761076 411621926 /nfs/dbraw/zinc/62/19/26/411621926.db2.gz WECXYLCADZNTGV-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OCCC[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000660761076 411621927 /nfs/dbraw/zinc/62/19/27/411621927.db2.gz WECXYLCADZNTGV-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO C[C@@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000660838134 411652448 /nfs/dbraw/zinc/65/24/48/411652448.db2.gz FWDHVGIYBMBDRI-VIFPVBQESA-N 1 2 236.319 1.597 20 0 BDADLO C[C@@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000660838134 411652452 /nfs/dbraw/zinc/65/24/52/411652452.db2.gz FWDHVGIYBMBDRI-VIFPVBQESA-N 1 2 236.319 1.597 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000660845751 411656158 /nfs/dbraw/zinc/65/61/58/411656158.db2.gz UHQUBLFNOUANPE-UHFFFAOYSA-N 1 2 229.280 1.022 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000660845751 411656160 /nfs/dbraw/zinc/65/61/60/411656160.db2.gz UHQUBLFNOUANPE-UHFFFAOYSA-N 1 2 229.280 1.022 20 0 BDADLO C[N@H+](CCCOC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000660849391 411656741 /nfs/dbraw/zinc/65/67/41/411656741.db2.gz YBLCEPCBONWTSD-UHFFFAOYSA-N 1 2 243.307 1.412 20 0 BDADLO C[N@@H+](CCCOC(C)(C)C)Cc1n[nH]c(=O)o1 ZINC000660849391 411656742 /nfs/dbraw/zinc/65/67/42/411656742.db2.gz YBLCEPCBONWTSD-UHFFFAOYSA-N 1 2 243.307 1.412 20 0 BDADLO CO[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488382401 411666144 /nfs/dbraw/zinc/66/61/44/411666144.db2.gz VCEXIECHFUOBKO-QMMMGPOBSA-N 1 2 239.323 1.083 20 0 BDADLO CO[C@@H](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488382401 411666149 /nfs/dbraw/zinc/66/61/49/411666149.db2.gz VCEXIECHFUOBKO-QMMMGPOBSA-N 1 2 239.323 1.083 20 0 BDADLO COC[C@H](C[N@@H+]1CCCC(F)(F)C1)OC ZINC000660913877 411671400 /nfs/dbraw/zinc/67/14/00/411671400.db2.gz WMFPMRPYVZGYLA-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO COC[C@H](C[N@H+]1CCCC(F)(F)C1)OC ZINC000660913877 411671405 /nfs/dbraw/zinc/67/14/05/411671405.db2.gz WMFPMRPYVZGYLA-VIFPVBQESA-N 1 2 223.263 1.379 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1nc[nH+]c2c1CCC2 ZINC000531203210 411682115 /nfs/dbraw/zinc/68/21/15/411682115.db2.gz MSZRVPFWTKHBRM-VIFPVBQESA-N 1 2 249.314 1.576 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660943353 411685919 /nfs/dbraw/zinc/68/59/19/411685919.db2.gz RTPHXUTWESBYMP-SNVBAGLBSA-N 1 2 238.335 1.986 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660943353 411685922 /nfs/dbraw/zinc/68/59/22/411685922.db2.gz RTPHXUTWESBYMP-SNVBAGLBSA-N 1 2 238.335 1.986 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000660953661 411687476 /nfs/dbraw/zinc/68/74/76/411687476.db2.gz QVANOMBGIYNSAN-SECBINFHSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000660953661 411687481 /nfs/dbraw/zinc/68/74/81/411687481.db2.gz QVANOMBGIYNSAN-SECBINFHSA-N 1 2 236.319 1.740 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nc(C(C)(C)C)no1 ZINC000661083224 411696017 /nfs/dbraw/zinc/69/60/17/411696017.db2.gz BBUZUYXZGGFERJ-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nc(C(C)(C)C)no1 ZINC000661083224 411696020 /nfs/dbraw/zinc/69/60/20/411696020.db2.gz BBUZUYXZGGFERJ-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO CCC(C)(C)NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661084993 411696392 /nfs/dbraw/zinc/69/63/92/411696392.db2.gz WTGZVTIMADRCEG-UHFFFAOYSA-N 1 2 238.335 1.146 20 0 BDADLO CCC(C)(C)NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661084993 411696398 /nfs/dbraw/zinc/69/63/98/411696398.db2.gz WTGZVTIMADRCEG-UHFFFAOYSA-N 1 2 238.335 1.146 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1noc(C(C)(C)C)n1 ZINC000661086674 411700262 /nfs/dbraw/zinc/70/02/62/411700262.db2.gz DIPLEIFAISXTHV-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1noc(C(C)(C)C)n1 ZINC000661086674 411700265 /nfs/dbraw/zinc/70/02/65/411700265.db2.gz DIPLEIFAISXTHV-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)N(C)Cc1c[nH+]c[nH]1 ZINC000661087043 411700593 /nfs/dbraw/zinc/70/05/93/411700593.db2.gz MTJLDAXVLOAWRB-MRVPVSSYSA-N 1 2 247.302 1.863 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)N(C)Cc1c[nH]c[nH+]1 ZINC000661087043 411700597 /nfs/dbraw/zinc/70/05/97/411700597.db2.gz MTJLDAXVLOAWRB-MRVPVSSYSA-N 1 2 247.302 1.863 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ccncc1F ZINC000661090070 411702026 /nfs/dbraw/zinc/70/20/26/411702026.db2.gz CFSBKCGTOZCKST-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ccncc1F ZINC000661090070 411702036 /nfs/dbraw/zinc/70/20/36/411702036.db2.gz CFSBKCGTOZCKST-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171339 411728691 /nfs/dbraw/zinc/72/86/91/411728691.db2.gz NBQUPDAEKFEJSR-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171339 411728693 /nfs/dbraw/zinc/72/86/93/411728693.db2.gz NBQUPDAEKFEJSR-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ccc(N2CC(n3cc[nH+]c3)C2)nn1 ZINC000663712812 411730969 /nfs/dbraw/zinc/73/09/69/411730969.db2.gz OKESZPOYQFXRAJ-UHFFFAOYSA-N 1 2 215.260 1.043 20 0 BDADLO Cn1c[nH+]cc1CN1c2ccccc2C[C@@H]1CO ZINC000661366949 411756476 /nfs/dbraw/zinc/75/64/76/411756476.db2.gz HAVFNLZVSTVJPK-GFCCVEGCSA-N 1 2 243.310 1.344 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1[nH+]ccc2c(N)cccc21 ZINC000663841157 411759795 /nfs/dbraw/zinc/75/97/95/411759795.db2.gz AWKCWOIKSSYQPP-VHSXEESVSA-N 1 2 243.310 1.777 20 0 BDADLO O[C@H]1CC[N@@H+](C2CCCC2)CC1(F)F ZINC000661408013 411771175 /nfs/dbraw/zinc/77/11/75/411771175.db2.gz JFBUTTDCFIXFKO-VIFPVBQESA-N 1 2 205.248 1.631 20 0 BDADLO O[C@H]1CC[N@H+](C2CCCC2)CC1(F)F ZINC000661408013 411771176 /nfs/dbraw/zinc/77/11/76/411771176.db2.gz JFBUTTDCFIXFKO-VIFPVBQESA-N 1 2 205.248 1.631 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)no1 ZINC000661433348 411774310 /nfs/dbraw/zinc/77/43/10/411774310.db2.gz DSBGIUILQSHIJU-KOLCDFICSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)no1 ZINC000661433348 411774313 /nfs/dbraw/zinc/77/43/13/411774313.db2.gz DSBGIUILQSHIJU-KOLCDFICSA-N 1 2 239.319 1.361 20 0 BDADLO CCc1cc(N2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000663919532 411775815 /nfs/dbraw/zinc/77/58/15/411775815.db2.gz ONAAPWMIQVGNIN-UHFFFAOYSA-N 1 2 229.287 1.325 20 0 BDADLO Cc1nc(NCc2cccc(CO)n2)cc[nH+]1 ZINC000631335773 411786341 /nfs/dbraw/zinc/78/63/41/411786341.db2.gz YTPAVBNSNOAOIE-UHFFFAOYSA-N 1 2 230.271 1.284 20 0 BDADLO Cc1cc(C)nc(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000664128427 411864595 /nfs/dbraw/zinc/86/45/95/411864595.db2.gz XXRCMQGURYTUAK-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO Cc1cc(C)nc(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000664128427 411864601 /nfs/dbraw/zinc/86/46/01/411864601.db2.gz XXRCMQGURYTUAK-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1cn(C)nn1 ZINC000661747986 411864765 /nfs/dbraw/zinc/86/47/65/411864765.db2.gz RXRFEQIOTPYUHQ-UHFFFAOYSA-N 1 2 240.351 1.310 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1cn(C)nn1 ZINC000661747986 411864769 /nfs/dbraw/zinc/86/47/69/411864769.db2.gz RXRFEQIOTPYUHQ-UHFFFAOYSA-N 1 2 240.351 1.310 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)C1=O ZINC000661538892 411797726 /nfs/dbraw/zinc/79/77/26/411797726.db2.gz LSACRBFMMFEKDI-NXEZZACHSA-N 1 2 221.304 1.077 20 0 BDADLO CC(C)c1cc(N(C)Cc2c[nH+]c[nH]2)ncn1 ZINC000664128359 411865441 /nfs/dbraw/zinc/86/54/41/411865441.db2.gz WKXLIMNOTXGBIN-UHFFFAOYSA-N 1 2 231.303 1.960 20 0 BDADLO CC(C)c1cc(N(C)Cc2c[nH]c[nH+]2)ncn1 ZINC000664128359 411865448 /nfs/dbraw/zinc/86/54/48/411865448.db2.gz WKXLIMNOTXGBIN-UHFFFAOYSA-N 1 2 231.303 1.960 20 0 BDADLO CCc1cc(N[C@@H](CO)c2cccnc2)nc[nH+]1 ZINC000664024690 411818230 /nfs/dbraw/zinc/81/82/30/411818230.db2.gz MGDVDQPHODXVFS-LBPRGKRZSA-N 1 2 244.298 1.580 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)CC2=CCCOC2)[nH]1 ZINC000661652300 411828123 /nfs/dbraw/zinc/82/81/23/411828123.db2.gz KXQPTDQERYTWHQ-VIFPVBQESA-N 1 2 236.319 1.453 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)CC2=CCCOC2)[nH]1 ZINC000661652300 411828125 /nfs/dbraw/zinc/82/81/25/411828125.db2.gz KXQPTDQERYTWHQ-VIFPVBQESA-N 1 2 236.319 1.453 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2=CCCOC2)s1 ZINC000661653834 411830985 /nfs/dbraw/zinc/83/09/85/411830985.db2.gz UXJUWBQYXIRCBB-UHFFFAOYSA-N 1 2 239.344 1.625 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2=CCCOC2)s1 ZINC000661653834 411830988 /nfs/dbraw/zinc/83/09/88/411830988.db2.gz UXJUWBQYXIRCBB-UHFFFAOYSA-N 1 2 239.344 1.625 20 0 BDADLO CC[C@H](C)CCNc1nc[nH+]c(N)c1OC ZINC000664229411 411891052 /nfs/dbraw/zinc/89/10/52/411891052.db2.gz WZZJTCHNFXWTOX-QMMMGPOBSA-N 1 2 224.308 1.916 20 0 BDADLO CC[C@H](C)CCNc1[nH+]cnc(N)c1OC ZINC000664229411 411891057 /nfs/dbraw/zinc/89/10/57/411891057.db2.gz WZZJTCHNFXWTOX-QMMMGPOBSA-N 1 2 224.308 1.916 20 0 BDADLO CCn1cc(NC(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000664287721 411914108 /nfs/dbraw/zinc/91/41/08/411914108.db2.gz NZNJVJMCJNDJAF-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO CCn1cc(NC(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000664287721 411914112 /nfs/dbraw/zinc/91/41/12/411914112.db2.gz NZNJVJMCJNDJAF-UHFFFAOYSA-N 1 2 248.290 1.290 20 0 BDADLO Cc1cc(N2C[C@@H](C)C(=O)[C@H](C)C2)nc[nH+]1 ZINC000664307409 411917652 /nfs/dbraw/zinc/91/76/52/411917652.db2.gz GBRXBRCYMDZKPO-RKDXNWHRSA-N 1 2 219.288 1.446 20 0 BDADLO FC1(F)C[C@H]1OCCNc1cccc[nH+]1 ZINC000664313180 411919487 /nfs/dbraw/zinc/91/94/87/411919487.db2.gz HVVVQPFMIZPXKB-MRVPVSSYSA-N 1 2 214.215 1.918 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972612 411928499 /nfs/dbraw/zinc/92/84/99/411928499.db2.gz LTBHOOCGGLECHS-UWVGGRQHSA-N 1 2 219.288 1.789 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972612 411928502 /nfs/dbraw/zinc/92/85/02/411928502.db2.gz LTBHOOCGGLECHS-UWVGGRQHSA-N 1 2 219.288 1.789 20 0 BDADLO C[N@@H+]1CCc2ncnc(N[C@@]34C[C@@H]3CCC4)c2C1 ZINC000664160547 411874593 /nfs/dbraw/zinc/87/45/93/411874593.db2.gz JOBKRTXMTIJNKC-HZMBPMFUSA-N 1 2 244.342 1.819 20 0 BDADLO C[N@H+]1CCc2ncnc(N[C@@]34C[C@@H]3CCC4)c2C1 ZINC000664160547 411874597 /nfs/dbraw/zinc/87/45/97/411874597.db2.gz JOBKRTXMTIJNKC-HZMBPMFUSA-N 1 2 244.342 1.819 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CC=CCC1)c1[nH+]ccn1C ZINC000664173715 411880397 /nfs/dbraw/zinc/88/03/97/411880397.db2.gz OOBOSQPBPVEMQF-GHMZBOCLSA-N 1 2 248.330 1.889 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](C)n3ncnc32)nc[nH+]1 ZINC000664183443 411882917 /nfs/dbraw/zinc/88/29/17/411882917.db2.gz FJIOCMWBIXPVNQ-WPRPVWTQSA-N 1 2 244.302 1.748 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000661772369 411884203 /nfs/dbraw/zinc/88/42/03/411884203.db2.gz YGFHEHOTZBMAPY-WCBMZHEXSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000661772369 411884207 /nfs/dbraw/zinc/88/42/07/411884207.db2.gz YGFHEHOTZBMAPY-WCBMZHEXSA-N 1 2 237.303 1.292 20 0 BDADLO c1cc(C2CC[NH+](Cc3ncccn3)CC2)no1 ZINC000662048450 411966610 /nfs/dbraw/zinc/96/66/10/411966610.db2.gz WFOMVTAMJOPICF-UHFFFAOYSA-N 1 2 244.298 1.844 20 0 BDADLO Cc1cc(NC[C@@H]2CCC(=O)N2)nc(C2CC2)[nH+]1 ZINC000664476311 411969237 /nfs/dbraw/zinc/96/92/37/411969237.db2.gz ZOQURHNCWZRTIG-JTQLQIEISA-N 1 2 246.314 1.353 20 0 BDADLO FC(F)c1noc(C[N@@H+]2CCC3(COC3)C2)n1 ZINC000662072644 411974176 /nfs/dbraw/zinc/97/41/76/411974176.db2.gz IMXJHYLCBNXVGP-UHFFFAOYSA-N 1 2 245.229 1.230 20 0 BDADLO FC(F)c1noc(C[N@H+]2CCC3(COC3)C2)n1 ZINC000662072644 411974179 /nfs/dbraw/zinc/97/41/79/411974179.db2.gz IMXJHYLCBNXVGP-UHFFFAOYSA-N 1 2 245.229 1.230 20 0 BDADLO c1nc(N2CC[C@H]3C[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000664526657 411977537 /nfs/dbraw/zinc/97/75/37/411977537.db2.gz VZBVFHQKLAIHPY-IUCAKERBSA-N 1 2 232.287 1.127 20 0 BDADLO c1nc2c(c(N3CC[C@H]4C[C@H]4C3)[nH+]1)OCCN2 ZINC000664526657 411977540 /nfs/dbraw/zinc/97/75/40/411977540.db2.gz VZBVFHQKLAIHPY-IUCAKERBSA-N 1 2 232.287 1.127 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCCS1)c1[nH]cc[nH+]1 ZINC000125336165 170882690 /nfs/dbraw/zinc/88/26/90/170882690.db2.gz VKHGQMCEWHPIBE-RKDXNWHRSA-N 1 2 239.344 1.873 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2=CCCC2)[nH+]1 ZINC000664543879 411982365 /nfs/dbraw/zinc/98/23/65/411982365.db2.gz SNOISLIQJYMKOK-UHFFFAOYSA-N 1 2 233.319 1.768 20 0 BDADLO Cc1nc(NCC2=CCCC2)nc(N(C)C)[nH+]1 ZINC000664543879 411982367 /nfs/dbraw/zinc/98/23/67/411982367.db2.gz SNOISLIQJYMKOK-UHFFFAOYSA-N 1 2 233.319 1.768 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCc2nccnc2C1 ZINC000662119821 411992155 /nfs/dbraw/zinc/99/21/55/411992155.db2.gz XNCJPFLOCNDMOZ-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Nc1ncccc1C[N@H+]1CCc2nccnc2C1 ZINC000662119821 411992157 /nfs/dbraw/zinc/99/21/57/411992157.db2.gz XNCJPFLOCNDMOZ-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCc2nccnc2C1 ZINC000662121564 411992184 /nfs/dbraw/zinc/99/21/84/411992184.db2.gz ONOJVABSSVNMJO-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCc2nccnc2C1 ZINC000662121564 411992186 /nfs/dbraw/zinc/99/21/86/411992186.db2.gz ONOJVABSSVNMJO-UHFFFAOYSA-N 1 2 244.298 1.640 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1[nH+]ccn1C ZINC000664773185 412020368 /nfs/dbraw/zinc/02/03/68/412020368.db2.gz SOKLZKYYNNHWSY-MMWGEVLESA-N 1 2 248.330 1.579 20 0 BDADLO CCc1cc(N[C@@H](C)c2[nH+]ccn2C)ncn1 ZINC000664609004 411997695 /nfs/dbraw/zinc/99/76/95/411997695.db2.gz SISWHVVVRPLOIR-VIFPVBQESA-N 1 2 231.303 1.946 20 0 BDADLO FCCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000664674800 412009819 /nfs/dbraw/zinc/00/98/19/412009819.db2.gz IMYPUMBFIDTXLZ-UHFFFAOYSA-N 1 2 225.267 1.752 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662029614 411946284 /nfs/dbraw/zinc/94/62/84/411946284.db2.gz HUWXKAGRMIALQF-BBBLOLIVSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662029614 411946287 /nfs/dbraw/zinc/94/62/87/411946287.db2.gz HUWXKAGRMIALQF-BBBLOLIVSA-N 1 2 239.344 1.567 20 0 BDADLO COc1c(C)[nH+]cnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC000664419792 411949984 /nfs/dbraw/zinc/94/99/84/411949984.db2.gz VLELOFPTNMFHMF-ZWNOBZJWSA-N 1 2 249.314 1.266 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823886 412027691 /nfs/dbraw/zinc/02/76/91/412027691.db2.gz QQWOIBTZMBBTHO-MWLCHTKSSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823886 412027695 /nfs/dbraw/zinc/02/76/95/412027695.db2.gz QQWOIBTZMBBTHO-MWLCHTKSSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@@H](O)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662224320 412030930 /nfs/dbraw/zinc/03/09/30/412030930.db2.gz WOMRZZKUJPTVLW-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662224320 412030933 /nfs/dbraw/zinc/03/09/33/412030933.db2.gz WOMRZZKUJPTVLW-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@@H]1CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000293861044 171016752 /nfs/dbraw/zinc/01/67/52/171016752.db2.gz CIXBMAMTYIQDMO-HMDXOVGESA-N 1 2 205.261 1.434 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCCO1 ZINC000282810813 171060884 /nfs/dbraw/zinc/06/08/84/171060884.db2.gz PDFMLYWKXSQILV-ZYOFXKKJSA-N 1 2 249.314 1.450 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000111272864 171077382 /nfs/dbraw/zinc/07/73/82/171077382.db2.gz GJVWPKHOZQWQOI-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000111272864 171077383 /nfs/dbraw/zinc/07/73/83/171077383.db2.gz GJVWPKHOZQWQOI-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000296321099 171092761 /nfs/dbraw/zinc/09/27/61/171092761.db2.gz OIIDGICNKHETTG-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@@H]1O ZINC000296321099 171092766 /nfs/dbraw/zinc/09/27/66/171092766.db2.gz OIIDGICNKHETTG-APPZFPTMSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000341023161 171093869 /nfs/dbraw/zinc/09/38/69/171093869.db2.gz RYBDTACWICVYLF-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@H]1O ZINC000341023161 171093872 /nfs/dbraw/zinc/09/38/72/171093872.db2.gz RYBDTACWICVYLF-PSASIEDQSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000341023163 171094339 /nfs/dbraw/zinc/09/43/39/171094339.db2.gz RYBDTACWICVYLF-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)C[C@@H]1O ZINC000341023163 171094341 /nfs/dbraw/zinc/09/43/41/171094341.db2.gz RYBDTACWICVYLF-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544094 171095015 /nfs/dbraw/zinc/09/50/15/171095015.db2.gz ASRZDWYCJIROAJ-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)[nH]2)CCCO1 ZINC000331544094 171095019 /nfs/dbraw/zinc/09/50/19/171095019.db2.gz ASRZDWYCJIROAJ-GXSJLCMTSA-N 1 2 238.335 1.675 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1n[nH]cc1C ZINC000335674669 171105399 /nfs/dbraw/zinc/10/53/99/171105399.db2.gz YQGQTBBDYGVVKR-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1n[nH]cc1C ZINC000335674669 171105400 /nfs/dbraw/zinc/10/54/00/171105400.db2.gz YQGQTBBDYGVVKR-SNVBAGLBSA-N 1 2 209.293 1.329 20 0 BDADLO CCO[C@H](CC)c1noc(Cn2cc[nH+]c2)n1 ZINC000665038497 412065141 /nfs/dbraw/zinc/06/51/41/412065141.db2.gz IAGZLDVONLBVKO-SECBINFHSA-N 1 2 236.275 1.802 20 0 BDADLO CC[C@@H]1C[C@@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338272041 171121368 /nfs/dbraw/zinc/12/13/68/171121368.db2.gz XYSPHGWOPKYPNM-MNOVXSKESA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000373901655 171140034 /nfs/dbraw/zinc/14/00/34/171140034.db2.gz BIHBOKPMZQOCMH-OUAUKWLOSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000281760757 171141159 /nfs/dbraw/zinc/14/11/59/171141159.db2.gz ITXLFOXPIHPIBH-MWLCHTKSSA-N 1 2 229.283 1.863 20 0 BDADLO Nc1ccc(NC(=O)C2(CF)CCC2)c[nH+]1 ZINC000335373990 487621776 /nfs/dbraw/zinc/62/17/76/487621776.db2.gz FVUMRUMPEHGHCW-UHFFFAOYSA-N 1 2 223.251 1.572 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000333661036 171153627 /nfs/dbraw/zinc/15/36/27/171153627.db2.gz WJPMDTTUJGJXRK-NEPJUHHUSA-N 1 2 249.314 1.501 20 0 BDADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1conc1C ZINC000294564875 171312675 /nfs/dbraw/zinc/31/26/75/171312675.db2.gz GCGPPGMRZBVZPT-VIFPVBQESA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1conc1C ZINC000294564875 171312677 /nfs/dbraw/zinc/31/26/77/171312677.db2.gz GCGPPGMRZBVZPT-VIFPVBQESA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000267861980 171323441 /nfs/dbraw/zinc/32/34/41/171323441.db2.gz ASVLFFYDRDQFMW-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000267861980 171323443 /nfs/dbraw/zinc/32/34/43/171323443.db2.gz ASVLFFYDRDQFMW-LBPRGKRZSA-N 1 2 249.358 1.818 20 0 BDADLO CC[C@H](C)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000331363421 171330031 /nfs/dbraw/zinc/33/00/31/171330031.db2.gz AGZSYNDMQANVDS-AEJSXWLSSA-N 1 2 236.319 1.987 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000360016744 171333921 /nfs/dbraw/zinc/33/39/21/171333921.db2.gz BTUWSSUTUNZRJI-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO CCc1nocc1C(=O)N1CC[NH+](CC)CC1 ZINC000665068872 412079789 /nfs/dbraw/zinc/07/97/89/412079789.db2.gz VULNHLONOLTVKO-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364399455 171363201 /nfs/dbraw/zinc/36/32/01/171363201.db2.gz JGYLBGAACKBOJG-QJPTWQEYSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364399461 171363705 /nfs/dbraw/zinc/36/37/05/171363705.db2.gz JGYLBGAACKBOJG-TUAOUCFPSA-N 1 2 249.358 1.996 20 0 BDADLO CC[C@H](C)[C@@H](C[NH2+]Cc1ccn[nH]1)OC ZINC000294290841 171368755 /nfs/dbraw/zinc/36/87/55/171368755.db2.gz UECNNXDSVISQOO-GXSJLCMTSA-N 1 2 211.309 1.560 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CC2CC1(C)C2 ZINC000662385570 412137332 /nfs/dbraw/zinc/13/73/32/412137332.db2.gz WIGGHPOAATWFPH-UHFFFAOYSA-N 1 2 235.335 1.412 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CC2CC1(C)C2 ZINC000662385570 412137336 /nfs/dbraw/zinc/13/73/36/412137336.db2.gz WIGGHPOAATWFPH-UHFFFAOYSA-N 1 2 235.335 1.412 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC2CC1(C)C2 ZINC000662385953 412139093 /nfs/dbraw/zinc/13/90/93/412139093.db2.gz MJFYAUBZAFJKQO-UHFFFAOYSA-N 1 2 232.331 1.677 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1CC2CC1(C)C2 ZINC000662385953 412139097 /nfs/dbraw/zinc/13/90/97/412139097.db2.gz MJFYAUBZAFJKQO-UHFFFAOYSA-N 1 2 232.331 1.677 20 0 BDADLO CC(C)(C)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621256218 412198512 /nfs/dbraw/zinc/19/85/12/412198512.db2.gz XGPSMABJJNCCCB-UHFFFAOYSA-N 1 2 247.302 1.515 20 0 BDADLO C[C@H]1C[C@H]1c1nnc(NCc2c[nH+]cn2C)o1 ZINC000630962829 412271072 /nfs/dbraw/zinc/27/10/72/412271072.db2.gz SQZOOEXBKUDVJD-IONNQARKSA-N 1 2 233.275 1.539 20 0 BDADLO C[C@@H](CCNc1[nH+]cccc1C(=O)[O-])[NH+](C)C ZINC000662883304 412334480 /nfs/dbraw/zinc/33/44/80/412334480.db2.gz LIPLSWLNOCPGPF-VIFPVBQESA-N 1 2 237.303 1.532 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000663164549 412391097 /nfs/dbraw/zinc/39/10/97/412391097.db2.gz DGWZLOOFRUOBML-GMTAPVOTSA-N 1 2 247.342 1.986 20 0 BDADLO CC12CC(C1)CN2C(=O)NCCn1cc[nH+]c1 ZINC000663243202 412399804 /nfs/dbraw/zinc/39/98/04/412399804.db2.gz XFAQRLFTEJHBBI-UHFFFAOYSA-N 1 2 234.303 1.077 20 0 BDADLO CCc1cccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000270973052 171895513 /nfs/dbraw/zinc/89/55/13/171895513.db2.gz AXUSBBCTLFPHMY-UHFFFAOYSA-N 1 2 230.271 1.297 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000265196377 171925514 /nfs/dbraw/zinc/92/55/14/171925514.db2.gz JDSDRZXIFFZCCW-SNVBAGLBSA-N 1 2 247.298 1.061 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)c2cnn(C)c2C)[nH]1 ZINC000184686579 171986633 /nfs/dbraw/zinc/98/66/33/171986633.db2.gz HCAIEUQFZGRZFO-QMMMGPOBSA-N 1 2 248.334 1.260 20 0 BDADLO CCc1nc(C[NH2+][C@@]2(C)CCO[C@@H]2C)no1 ZINC000336778162 171988112 /nfs/dbraw/zinc/98/81/12/171988112.db2.gz KNKZHGDSSOFDKN-KCJUWKMLSA-N 1 2 225.292 1.289 20 0 BDADLO CCc1nc([C@H]2COCC[NH2+]2)sc1C ZINC000076136778 172009523 /nfs/dbraw/zinc/00/95/23/172009523.db2.gz KJTFSBBONKGGEP-SECBINFHSA-N 1 2 212.318 1.675 20 0 BDADLO CCc1[nH+]c2ccccc2n1C[C@@H](C)O ZINC000040389180 172014097 /nfs/dbraw/zinc/01/40/97/172014097.db2.gz LWFRHOKDOBOUJN-SECBINFHSA-N 1 2 204.273 1.980 20 0 BDADLO CCc1ncc(C[NH+]2CCN(C)CC2)s1 ZINC000264280426 172017406 /nfs/dbraw/zinc/01/74/06/172017406.db2.gz GVFFMNFYROBWBY-UHFFFAOYSA-N 1 2 225.361 1.453 20 0 BDADLO CCc1[nH+]ccn1Cc1nnc(C(C)C)[nH]1 ZINC000291700577 172027500 /nfs/dbraw/zinc/02/75/00/172027500.db2.gz UIINFNYRIZZYOQ-UHFFFAOYSA-N 1 2 219.292 1.735 20 0 BDADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366512231 172038368 /nfs/dbraw/zinc/03/83/68/172038368.db2.gz ABYOKZSRERBYLP-KGLIPLIRSA-N 1 2 249.358 1.518 20 0 BDADLO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366512231 172038369 /nfs/dbraw/zinc/03/83/69/172038369.db2.gz ABYOKZSRERBYLP-KGLIPLIRSA-N 1 2 249.358 1.518 20 0 BDADLO CCc1nn(C)cc1Nc1[nH+]cnc2[nH]ccc21 ZINC000271386506 172043687 /nfs/dbraw/zinc/04/36/87/172043687.db2.gz STVMVFSNORFUGE-UHFFFAOYSA-N 1 2 242.286 1.997 20 0 BDADLO CCc1nnc(C[NH2+][C@@H](C)Cn2cccn2)o1 ZINC000357767107 172052731 /nfs/dbraw/zinc/05/27/31/172052731.db2.gz JMKNOGHRSMHTNC-VIFPVBQESA-N 1 2 235.291 1.007 20 0 BDADLO CCc1nnc(NCc2[nH+]ccn2C)nc1CC ZINC000097837355 172060793 /nfs/dbraw/zinc/06/07/93/172060793.db2.gz CNOLNFFJEKJRFO-UHFFFAOYSA-N 1 2 246.318 1.342 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000110108688 172064387 /nfs/dbraw/zinc/06/43/87/172064387.db2.gz FYURHNZWTAMNJV-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)o1 ZINC000110108688 172064389 /nfs/dbraw/zinc/06/43/89/172064389.db2.gz FYURHNZWTAMNJV-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368787435 172088948 /nfs/dbraw/zinc/08/89/48/172088948.db2.gz VWFPCJFFHMFIIP-RKDXNWHRSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)n1 ZINC000368787435 172088952 /nfs/dbraw/zinc/08/89/52/172088952.db2.gz VWFPCJFFHMFIIP-RKDXNWHRSA-N 1 2 237.303 1.150 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CC2(CO)CC2)n1 ZINC000186790530 172090936 /nfs/dbraw/zinc/09/09/36/172090936.db2.gz BSHWRQTXMWYHGV-VIFPVBQESA-N 1 2 239.319 1.397 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CC2(CO)CC2)n1 ZINC000186790530 172090940 /nfs/dbraw/zinc/09/09/40/172090940.db2.gz BSHWRQTXMWYHGV-VIFPVBQESA-N 1 2 239.319 1.397 20 0 BDADLO CCc1noc([C@H](C)[N@@H+]2CC[C@H](OC)C2)n1 ZINC000332704127 172091128 /nfs/dbraw/zinc/09/11/28/172091128.db2.gz XQYLNNZOJABWHD-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc([C@H](C)[N@H+]2CC[C@H](OC)C2)n1 ZINC000332704127 172091130 /nfs/dbraw/zinc/09/11/30/172091130.db2.gz XQYLNNZOJABWHD-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cnc(C)nc1 ZINC000339605870 172094407 /nfs/dbraw/zinc/09/44/07/172094407.db2.gz KZBJKLILKZOZBE-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cnc(C)nc1 ZINC000339605870 172094410 /nfs/dbraw/zinc/09/44/10/172094410.db2.gz KZBJKLILKZOZBE-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cn(C)nc1C ZINC000293637174 172095707 /nfs/dbraw/zinc/09/57/07/172095707.db2.gz LVIJKPLBJGPYCB-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cn(C)nc1C ZINC000293637174 172095709 /nfs/dbraw/zinc/09/57/09/172095709.db2.gz LVIJKPLBJGPYCB-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nocc1C[N@@H+]1CCN(C)CC[C@H]1C ZINC000336488381 172097159 /nfs/dbraw/zinc/09/71/59/172097159.db2.gz DFILCMJLLUQTSG-LLVKDONJSA-N 1 2 237.347 1.763 20 0 BDADLO CCc1nocc1C[N@H+]1CCN(C)CC[C@H]1C ZINC000336488381 172097160 /nfs/dbraw/zinc/09/71/60/172097160.db2.gz DFILCMJLLUQTSG-LLVKDONJSA-N 1 2 237.347 1.763 20 0 BDADLO CCn1c(C)nnc1SCc1[nH+]ccn1C ZINC000338635653 172142372 /nfs/dbraw/zinc/14/23/72/172142372.db2.gz FNPHXTXNZOEMHY-UHFFFAOYSA-N 1 2 237.332 1.632 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000353163022 172165757 /nfs/dbraw/zinc/16/57/57/172165757.db2.gz LEBHHVVFLQPKRJ-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000353163022 172165759 /nfs/dbraw/zinc/16/57/59/172165759.db2.gz LEBHHVVFLQPKRJ-CYBMUJFWSA-N 1 2 237.347 1.760 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000092017353 172167445 /nfs/dbraw/zinc/16/74/45/172167445.db2.gz UMZOBOMDZSTHOB-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000092017353 172167447 /nfs/dbraw/zinc/16/74/47/172167447.db2.gz UMZOBOMDZSTHOB-WDEREUQCSA-N 1 2 223.320 1.512 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2ccon2)cn1 ZINC000336781626 172173377 /nfs/dbraw/zinc/17/33/77/172173377.db2.gz VDWJHUWQDGJRLJ-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc(N[C@@H](C)c2[nH]cc[nH+]2)cn1 ZINC000279096487 172186454 /nfs/dbraw/zinc/18/64/54/172186454.db2.gz UUEOSDKLMSDMGL-QMMMGPOBSA-N 1 2 205.265 1.799 20 0 BDADLO CCn1ccc(C[NH2+][C@@H](C)c2cnn(C)c2C)n1 ZINC000020350031 172201729 /nfs/dbraw/zinc/20/17/29/172201729.db2.gz PWUPUPQINPCKJR-JTQLQIEISA-N 1 2 247.346 1.796 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@H]1COC ZINC000339283661 172219521 /nfs/dbraw/zinc/21/95/21/172219521.db2.gz NUPXQJHQLMHOMO-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@H]1COC ZINC000339283661 172219523 /nfs/dbraw/zinc/21/95/23/172219523.db2.gz NUPXQJHQLMHOMO-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@H]1CF ZINC000339664958 172219990 /nfs/dbraw/zinc/21/99/90/172219990.db2.gz NAVUZYCPUVDIEG-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@H]1CF ZINC000339664958 172219996 /nfs/dbraw/zinc/21/99/96/172219996.db2.gz NAVUZYCPUVDIEG-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@H]1CF ZINC000339664958 172219998 /nfs/dbraw/zinc/21/99/98/172219998.db2.gz NAVUZYCPUVDIEG-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365845556 172220726 /nfs/dbraw/zinc/22/07/26/172220726.db2.gz DJGKZIZMSFVUME-GFCCVEGCSA-N 1 2 245.330 1.547 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365845556 172220729 /nfs/dbraw/zinc/22/07/29/172220729.db2.gz DJGKZIZMSFVUME-GFCCVEGCSA-N 1 2 245.330 1.547 20 0 BDADLO CCn1ccnc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365845557 172220953 /nfs/dbraw/zinc/22/09/53/172220953.db2.gz DJGKZIZMSFVUME-LBPRGKRZSA-N 1 2 245.330 1.547 20 0 BDADLO CCn1ccnc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365845557 172220956 /nfs/dbraw/zinc/22/09/56/172220956.db2.gz DJGKZIZMSFVUME-LBPRGKRZSA-N 1 2 245.330 1.547 20 0 BDADLO CCn1ccnc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335157395 172222885 /nfs/dbraw/zinc/22/28/85/172222885.db2.gz MBNZNVMAJJWDOA-UWVGGRQHSA-N 1 2 223.345 1.593 20 0 BDADLO CCn1ccnc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335157395 172222887 /nfs/dbraw/zinc/22/28/87/172222887.db2.gz MBNZNVMAJJWDOA-UWVGGRQHSA-N 1 2 223.345 1.593 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C(N)=O ZINC000332655843 172222919 /nfs/dbraw/zinc/22/29/19/172222919.db2.gz FATJAUZMKJXIGV-BDAKNGLRSA-N 1 2 240.282 1.351 20 0 BDADLO CCn1ccnc1CNc1cc[nH+]c(C)n1 ZINC000294993785 172226877 /nfs/dbraw/zinc/22/68/77/172226877.db2.gz NIXMHGKPSKCDEM-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1cccc(F)c1 ZINC000218227695 172236428 /nfs/dbraw/zinc/23/64/28/172236428.db2.gz RGIDSBATTWRFNO-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO CCn1nc(C)c(NCc2c[nH+]cn2C)c1C ZINC000124416581 172248619 /nfs/dbraw/zinc/24/86/19/172248619.db2.gz WRSHKJRHGDOIIS-UHFFFAOYSA-N 1 2 233.319 1.865 20 0 BDADLO CCn1nccc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000355221228 172269078 /nfs/dbraw/zinc/26/90/78/172269078.db2.gz OBKSHEFWJQSNRE-RISCZKNCSA-N 1 2 249.358 1.902 20 0 BDADLO CCn1nccc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000355221228 172269080 /nfs/dbraw/zinc/26/90/80/172269080.db2.gz OBKSHEFWJQSNRE-RISCZKNCSA-N 1 2 249.358 1.902 20 0 BDADLO CN(C(=O)C[N@@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000336259794 172309679 /nfs/dbraw/zinc/30/96/79/172309679.db2.gz UKLXCJHQZJBBEB-LLVKDONJSA-N 1 2 236.290 1.693 20 0 BDADLO CN(C(=O)C[N@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000336259794 172309682 /nfs/dbraw/zinc/30/96/82/172309682.db2.gz UKLXCJHQZJBBEB-LLVKDONJSA-N 1 2 236.290 1.693 20 0 BDADLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CCC1 ZINC000336508842 172328167 /nfs/dbraw/zinc/32/81/67/172328167.db2.gz CLLRDCCTOLWJDM-SNVBAGLBSA-N 1 2 233.315 1.841 20 0 BDADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000372319604 172328813 /nfs/dbraw/zinc/32/88/13/172328813.db2.gz GXVADGGLOMWVBH-SECBINFHSA-N 1 2 219.288 1.066 20 0 BDADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000336566228 172329258 /nfs/dbraw/zinc/32/92/58/172329258.db2.gz OVNVQKRWUFGZOX-MNOVXSKESA-N 1 2 247.342 1.702 20 0 BDADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000336566230 172334945 /nfs/dbraw/zinc/33/49/45/172334945.db2.gz OVNVQKRWUFGZOX-WDEREUQCSA-N 1 2 247.342 1.702 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000374031194 172365141 /nfs/dbraw/zinc/36/51/41/172365141.db2.gz IVJNEFBVDNCABE-GFCCVEGCSA-N 1 2 236.290 1.661 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374031194 172365143 /nfs/dbraw/zinc/36/51/43/172365143.db2.gz IVJNEFBVDNCABE-GFCCVEGCSA-N 1 2 236.290 1.661 20 0 BDADLO CN(C)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000336295545 172376626 /nfs/dbraw/zinc/37/66/26/172376626.db2.gz OARXOAOMMUMMMP-SECBINFHSA-N 1 2 236.319 1.485 20 0 BDADLO CN(C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336537159 172377475 /nfs/dbraw/zinc/37/74/75/172377475.db2.gz UGIMJUAXMKTZEC-MRVPVSSYSA-N 1 2 208.265 1.228 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1nccnc1C(F)F ZINC000360903240 172930275 /nfs/dbraw/zinc/93/02/75/172930275.db2.gz CZLSXHMZNZSOBJ-UHFFFAOYSA-N 1 2 239.229 1.774 20 0 BDADLO C[N@@H+]1CCCN(C(=O)C(C)(Cl)Cl)CC1 ZINC000373199813 173011716 /nfs/dbraw/zinc/01/17/16/173011716.db2.gz CNRTXEPHFTVSMV-UHFFFAOYSA-N 1 2 239.146 1.344 20 0 BDADLO C[N@H+]1CCCN(C(=O)C(C)(Cl)Cl)CC1 ZINC000373199813 173011719 /nfs/dbraw/zinc/01/17/19/173011719.db2.gz CNRTXEPHFTVSMV-UHFFFAOYSA-N 1 2 239.146 1.344 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000082336783 173024716 /nfs/dbraw/zinc/02/47/16/173024716.db2.gz DWHXYENWADGQQN-LLVKDONJSA-N 1 2 240.253 1.998 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000082336783 173024719 /nfs/dbraw/zinc/02/47/19/173024719.db2.gz DWHXYENWADGQQN-LLVKDONJSA-N 1 2 240.253 1.998 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1F ZINC000119430853 173050794 /nfs/dbraw/zinc/05/07/94/173050794.db2.gz KOJJMFCRPXLQDH-NSHDSACASA-N 1 2 238.262 1.564 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1F ZINC000119430853 173050796 /nfs/dbraw/zinc/05/07/96/173050796.db2.gz KOJJMFCRPXLQDH-NSHDSACASA-N 1 2 238.262 1.564 20 0 BDADLO C[NH+]1CCN(C[C@@H](O)CCc2ccccc2)CC1 ZINC000182221864 173085734 /nfs/dbraw/zinc/08/57/34/173085734.db2.gz LMIXOVNEUFSLJU-HNNXBMFYSA-N 1 2 248.370 1.228 20 0 BDADLO C[N@@H+]1CCO[C@H](c2nc(CCC3CC3)no2)C1 ZINC000333712806 173108944 /nfs/dbraw/zinc/10/89/44/173108944.db2.gz SNXYRMPSNIYHPM-JTQLQIEISA-N 1 2 237.303 1.415 20 0 BDADLO C[N@H+]1CCO[C@H](c2nc(CCC3CC3)no2)C1 ZINC000333712806 173108947 /nfs/dbraw/zinc/10/89/47/173108947.db2.gz SNXYRMPSNIYHPM-JTQLQIEISA-N 1 2 237.303 1.415 20 0 BDADLO CN(c1[nH]c2ccccc2[nH+]1)[C@H]1CCN(C)C1=O ZINC000270571974 173149527 /nfs/dbraw/zinc/14/95/27/173149527.db2.gz NHECXZQWQSPBRY-NSHDSACASA-N 1 2 244.298 1.230 20 0 BDADLO CNC(=O)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803305 173260829 /nfs/dbraw/zinc/26/08/29/173260829.db2.gz JPWWIUAGUOPFOV-UHFFFAOYSA-N 1 2 247.220 1.648 20 0 BDADLO CNC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000272220402 173270046 /nfs/dbraw/zinc/27/00/46/173270046.db2.gz DMQIYTMSOPLHPM-VIFPVBQESA-N 1 2 247.298 1.567 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000272220402 173270049 /nfs/dbraw/zinc/27/00/49/173270049.db2.gz DMQIYTMSOPLHPM-VIFPVBQESA-N 1 2 247.298 1.567 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000275470198 173270131 /nfs/dbraw/zinc/27/01/31/173270131.db2.gz LQVQBYDBCYGNPI-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000275470198 173270132 /nfs/dbraw/zinc/27/01/32/173270132.db2.gz LQVQBYDBCYGNPI-UHFFFAOYSA-N 1 2 228.242 1.143 20 0 BDADLO CNC(=O)CSCc1cc(OC)cc(C)[nH+]1 ZINC000272027128 173279831 /nfs/dbraw/zinc/27/98/31/173279831.db2.gz YSOZXMNPCQVQPO-UHFFFAOYSA-N 1 2 240.328 1.378 20 0 BDADLO CNC(=O)C[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000298712265 173283012 /nfs/dbraw/zinc/28/30/12/173283012.db2.gz VZUJIZNYPCOOBR-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)C[C@H](C)[NH2+]c1ccc(N(C)C)cc1C ZINC000298712265 173283013 /nfs/dbraw/zinc/28/30/13/173283013.db2.gz VZUJIZNYPCOOBR-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CNC(=O)[C@@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000328456763 173295365 /nfs/dbraw/zinc/29/53/65/173295365.db2.gz IGYDACAQGVYWQE-SSDOTTSWSA-N 1 2 242.706 1.270 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nc(C)cs1 ZINC000081668387 173299133 /nfs/dbraw/zinc/29/91/33/173299133.db2.gz DLGPMAXXCSDDDC-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nc(C)cs1 ZINC000081668387 173299134 /nfs/dbraw/zinc/29/91/34/173299134.db2.gz DLGPMAXXCSDDDC-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043523324 173310121 /nfs/dbraw/zinc/31/01/21/173310121.db2.gz ZFVYKGCNRNYTQU-UHFFFAOYSA-N 1 2 201.229 1.232 20 0 BDADLO C[NH2+]Cc1noc(Cc2cccc(C)c2)n1 ZINC000052137756 173399749 /nfs/dbraw/zinc/39/97/49/173399749.db2.gz DTXNFKKWCDOWAL-UHFFFAOYSA-N 1 2 217.272 1.688 20 0 BDADLO COC(=O)[C@H](CC(F)F)[NH2+]CC(C)C ZINC000308504615 173794449 /nfs/dbraw/zinc/79/44/49/173794449.db2.gz ICOTUEHBHRNJBW-ZETCQYMHSA-N 1 2 209.236 1.429 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000269472944 173812561 /nfs/dbraw/zinc/81/25/61/173812561.db2.gz LXLUXWAZEWNZRQ-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cnccc1C ZINC000269472944 173812562 /nfs/dbraw/zinc/81/25/62/173812562.db2.gz LXLUXWAZEWNZRQ-GFCCVEGCSA-N 1 2 234.299 1.527 20 0 BDADLO COCC(=O)NCCCCNc1cccc[nH+]1 ZINC000264226834 174049258 /nfs/dbraw/zinc/04/92/58/174049258.db2.gz ZJJIWDOWFRAORV-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO COCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000360656435 174060130 /nfs/dbraw/zinc/06/01/30/174060130.db2.gz HFGOGGKHSSJAMB-UHFFFAOYSA-N 1 2 245.282 1.672 20 0 BDADLO COCC(C)(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000339372823 174064190 /nfs/dbraw/zinc/06/41/90/174064190.db2.gz KEBPQPMPENSHRJ-UHFFFAOYSA-N 1 2 225.292 1.041 20 0 BDADLO COCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265792840 174166294 /nfs/dbraw/zinc/16/62/94/174166294.db2.gz ITENSSFIPNMMHM-NSHDSACASA-N 1 2 239.319 1.062 20 0 BDADLO COCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366693067 174177247 /nfs/dbraw/zinc/17/72/47/174177247.db2.gz UFRONIRBPLBCIJ-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO COCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366693067 174177250 /nfs/dbraw/zinc/17/72/50/174177250.db2.gz UFRONIRBPLBCIJ-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO COCCC[N@H+](C)Cc1c(Cl)cnn1C ZINC000189807660 174218294 /nfs/dbraw/zinc/21/82/94/174218294.db2.gz CAHMQNGLPMZTES-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO COCCC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000189807660 174218296 /nfs/dbraw/zinc/21/82/96/174218296.db2.gz CAHMQNGLPMZTES-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO COCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000096713130 174242632 /nfs/dbraw/zinc/24/26/32/174242632.db2.gz KHWNJJCQKCEAGS-UHFFFAOYSA-N 1 2 223.276 1.548 20 0 BDADLO COCC[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000336691555 174280154 /nfs/dbraw/zinc/28/01/54/174280154.db2.gz IIFVRJLYRHKCPL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000336691555 174280156 /nfs/dbraw/zinc/28/01/56/174280156.db2.gz IIFVRJLYRHKCPL-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO COCC[N@H+](Cc1ccon1)[C@@H]1CCO[C@@H]1C ZINC000352357815 174301024 /nfs/dbraw/zinc/30/10/24/174301024.db2.gz POWPYKGKZMIMFZ-ZYHUDNBSSA-N 1 2 240.303 1.300 20 0 BDADLO COCC[N@@H+](Cc1ccon1)[C@@H]1CCO[C@@H]1C ZINC000352357815 174301026 /nfs/dbraw/zinc/30/10/26/174301026.db2.gz POWPYKGKZMIMFZ-ZYHUDNBSSA-N 1 2 240.303 1.300 20 0 BDADLO COCC[N@@H+](Cc1ccco1)CC1OCCO1 ZINC000122188733 174301610 /nfs/dbraw/zinc/30/16/10/174301610.db2.gz GNNJSEWMMLTZJI-UHFFFAOYSA-N 1 2 241.287 1.101 20 0 BDADLO COCC[N@H+](Cc1ccco1)CC1OCCO1 ZINC000122188733 174301612 /nfs/dbraw/zinc/30/16/12/174301612.db2.gz GNNJSEWMMLTZJI-UHFFFAOYSA-N 1 2 241.287 1.101 20 0 BDADLO COCC[N@@H+](Cc1noc(C)n1)CC(C)C ZINC000120575361 174302417 /nfs/dbraw/zinc/30/24/17/174302417.db2.gz HFCXIAGFRKHOFO-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO COCC[N@H+](Cc1noc(C)n1)CC(C)C ZINC000120575361 174302419 /nfs/dbraw/zinc/30/24/19/174302419.db2.gz HFCXIAGFRKHOFO-UHFFFAOYSA-N 1 2 227.308 1.482 20 0 BDADLO COCCN1CC[NH+](Cc2ccco2)CC1 ZINC000053441418 174309787 /nfs/dbraw/zinc/30/97/87/174309787.db2.gz BRARMBUFOFCOGV-UHFFFAOYSA-N 1 2 224.304 1.044 20 0 BDADLO COCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121173693 174311714 /nfs/dbraw/zinc/31/17/14/174311714.db2.gz IQSNABOUOWTORC-LLVKDONJSA-N 1 2 211.261 1.299 20 0 BDADLO COCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121173693 174311715 /nfs/dbraw/zinc/31/17/15/174311715.db2.gz IQSNABOUOWTORC-LLVKDONJSA-N 1 2 211.261 1.299 20 0 BDADLO COCC[N@@H+]1CC[C@@H](NCc2ccco2)C1 ZINC000264639154 174312849 /nfs/dbraw/zinc/31/28/49/174312849.db2.gz VNMBYAOWXJPGJB-LLVKDONJSA-N 1 2 224.304 1.090 20 0 BDADLO COCC[N@H+]1CC[C@@H](NCc2ccco2)C1 ZINC000264639154 174312851 /nfs/dbraw/zinc/31/28/51/174312851.db2.gz VNMBYAOWXJPGJB-LLVKDONJSA-N 1 2 224.304 1.090 20 0 BDADLO COCCOCC[N@H+](C)Cc1cc(C)on1 ZINC000175580062 174352803 /nfs/dbraw/zinc/35/28/03/174352803.db2.gz JAWJUUNUZNVNGB-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO COCCOCC[N@@H+](C)Cc1cc(C)on1 ZINC000175580062 174352804 /nfs/dbraw/zinc/35/28/04/174352804.db2.gz JAWJUUNUZNVNGB-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO COCCOCCNc1cc[nH+]c2ccncc12 ZINC000267939443 174359689 /nfs/dbraw/zinc/35/96/89/174359689.db2.gz HAAVHHSQPCLEAC-UHFFFAOYSA-N 1 2 247.298 1.705 20 0 BDADLO COCC[C@@H](COC)Nc1cccc[nH+]1 ZINC000308806794 174391989 /nfs/dbraw/zinc/39/19/89/174391989.db2.gz AHJFGTUWOASBDD-JTQLQIEISA-N 1 2 210.277 1.545 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000291279098 174398910 /nfs/dbraw/zinc/39/89/10/174398910.db2.gz ONFVTPMBZFPXBO-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1ccncc1 ZINC000291279098 174398911 /nfs/dbraw/zinc/39/89/11/174398911.db2.gz ONFVTPMBZFPXBO-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc[nH]1 ZINC000037919271 175079549 /nfs/dbraw/zinc/07/95/49/175079549.db2.gz CDTFDPGBDMDROK-SNVBAGLBSA-N 1 2 246.314 1.973 20 0 BDADLO COc1ccc(CC[NH2+][C@@]2(C)CCOC2=O)cc1 ZINC000289687401 175091793 /nfs/dbraw/zinc/09/17/93/175091793.db2.gz VOZIRGQLSXKIAO-AWEZNQCLSA-N 1 2 249.310 1.533 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC2(C)C)nc1 ZINC000271840081 175101281 /nfs/dbraw/zinc/10/12/81/175101281.db2.gz SRHZWBIHHOYODI-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC2(C)C)nc1 ZINC000271840081 175101282 /nfs/dbraw/zinc/10/12/82/175101282.db2.gz SRHZWBIHHOYODI-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1OC ZINC000366532757 175102127 /nfs/dbraw/zinc/10/21/27/175102127.db2.gz SNRIHROZDVBTIT-YPMHNXCESA-N 1 2 249.310 1.677 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1OC ZINC000366532757 175102128 /nfs/dbraw/zinc/10/21/28/175102128.db2.gz SNRIHROZDVBTIT-YPMHNXCESA-N 1 2 249.310 1.677 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc[nH]n2)c(OC)n1 ZINC000289639346 175108398 /nfs/dbraw/zinc/10/83/98/175108398.db2.gz PXBVUSWOJNILPE-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000092851940 175108632 /nfs/dbraw/zinc/10/86/32/175108632.db2.gz AGOXHDMQILBHHO-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2nc(C)no2)cn1 ZINC000356520999 175111698 /nfs/dbraw/zinc/11/16/98/175111698.db2.gz SOHGMWIZJQDTJE-MRVPVSSYSA-N 1 2 248.286 1.632 20 0 BDADLO COc1ccc(F)cc1C[NH2+]Cc1ccn(C)n1 ZINC000275038996 175130530 /nfs/dbraw/zinc/13/05/30/175130530.db2.gz FQURDPLGNZNJPV-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO COc1ccc2[nH+]c(C)nc(NC[C@H](C)O)c2c1 ZINC000120202952 175227414 /nfs/dbraw/zinc/22/74/14/175227414.db2.gz MIQYXFGEKXEUMA-QMMMGPOBSA-N 1 2 247.298 1.740 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275768967 175267033 /nfs/dbraw/zinc/26/70/33/175267033.db2.gz GTWBKTREEWCNRR-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1cccc([C@@H](C)[NH2+]Cc2nnc[nH]2)c1 ZINC000037919324 175288033 /nfs/dbraw/zinc/28/80/33/175288033.db2.gz PEWKIODVGZGAOQ-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000123508846 175328089 /nfs/dbraw/zinc/32/80/89/175328089.db2.gz VKSDVHMMPFQEJJ-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000123508846 175328090 /nfs/dbraw/zinc/32/80/90/175328090.db2.gz VKSDVHMMPFQEJJ-JTQLQIEISA-N 1 2 234.299 1.016 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@H](C)[C@H]2C)c1 ZINC000156523072 175357656 /nfs/dbraw/zinc/35/76/56/175357656.db2.gz UKYMZRODRFSEGW-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000156523072 175357657 /nfs/dbraw/zinc/35/76/57/175357657.db2.gz UKYMZRODRFSEGW-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000156523072 175357658 /nfs/dbraw/zinc/35/76/58/175357658.db2.gz UKYMZRODRFSEGW-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000156522948 175358603 /nfs/dbraw/zinc/35/86/03/175358603.db2.gz UKYMZRODRFSEGW-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000156522948 175358604 /nfs/dbraw/zinc/35/86/04/175358604.db2.gz UKYMZRODRFSEGW-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000156522948 175358605 /nfs/dbraw/zinc/35/86/05/175358605.db2.gz UKYMZRODRFSEGW-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[N@@H+]1CCOCC12CCC2 ZINC000376508288 175370092 /nfs/dbraw/zinc/37/00/92/175370092.db2.gz SITMYFQFNNJQRO-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccncc1C[N@H+]1CCOCC12CCC2 ZINC000376508288 175370095 /nfs/dbraw/zinc/37/00/95/175370095.db2.gz SITMYFQFNNJQRO-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)c1c[nH]nc1C ZINC000294606440 175371249 /nfs/dbraw/zinc/37/12/49/175371249.db2.gz NNQPBCSNZRDMPA-UHFFFAOYSA-N 1 2 246.270 1.052 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1CC1 ZINC000288778786 175373539 /nfs/dbraw/zinc/37/35/39/175373539.db2.gz RWOQLWOKFMMVEE-UHFFFAOYSA-N 1 2 207.229 1.543 20 0 BDADLO COc1cc[nH+]cc1COC(=O)Cn1cccn1 ZINC000288778741 175374027 /nfs/dbraw/zinc/37/40/27/175374027.db2.gz RWJGFPIXQFITFD-UHFFFAOYSA-N 1 2 247.254 1.030 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC1CC1 ZINC000299481326 175374957 /nfs/dbraw/zinc/37/49/57/175374957.db2.gz KGIXBDWYJGGPQX-UHFFFAOYSA-N 1 2 206.245 1.829 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H](OC)C1CC1 ZINC000279419974 175375531 /nfs/dbraw/zinc/37/55/31/175375531.db2.gz CRPXYQPLCIVLQZ-LLVKDONJSA-N 1 2 236.271 1.454 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@](C)(O)C(C)C ZINC000331011694 175375560 /nfs/dbraw/zinc/37/55/60/175375560.db2.gz FGZHXDARWZVAQW-LBPRGKRZSA-N 1 2 238.287 1.436 20 0 BDADLO COc1ccsc1C[NH+]1CC(NC(C)=O)C1 ZINC000362309683 175376958 /nfs/dbraw/zinc/37/69/58/175376958.db2.gz SEGIKTDYDLZBKM-UHFFFAOYSA-N 1 2 240.328 1.077 20 0 BDADLO COc1cncc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000289143022 175385925 /nfs/dbraw/zinc/38/59/25/175385925.db2.gz FTSOUIDHCQDNPH-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cncc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000289143022 175385926 /nfs/dbraw/zinc/38/59/26/175385926.db2.gz FTSOUIDHCQDNPH-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1coc(C[NH+]2CCSCC2)cc1=O ZINC000267904023 175387824 /nfs/dbraw/zinc/38/78/24/175387824.db2.gz HNYIEYPCWCKLDH-UHFFFAOYSA-N 1 2 241.312 1.197 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000309318239 175989251 /nfs/dbraw/zinc/98/92/51/175989251.db2.gz PTFDUENTDKDDOS-MWLCHTKSSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000309318239 175989253 /nfs/dbraw/zinc/98/92/53/175989253.db2.gz PTFDUENTDKDDOS-MWLCHTKSSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296243399 176017720 /nfs/dbraw/zinc/01/77/20/176017720.db2.gz PAQCSIBLAURDAT-ZJUUUORDSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296243399 176017721 /nfs/dbraw/zinc/01/77/21/176017721.db2.gz PAQCSIBLAURDAT-ZJUUUORDSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282103796 176028141 /nfs/dbraw/zinc/02/81/41/176028141.db2.gz ISNOLDHRFHVOFT-QWRGUYRKSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282103796 176028142 /nfs/dbraw/zinc/02/81/42/176028142.db2.gz ISNOLDHRFHVOFT-QWRGUYRKSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc[nH]n1 ZINC000172250791 176029665 /nfs/dbraw/zinc/02/96/65/176029665.db2.gz FWNNMSYFBBYJDA-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000172250791 176029667 /nfs/dbraw/zinc/02/96/67/176029667.db2.gz FWNNMSYFBBYJDA-JTQLQIEISA-N 1 2 216.288 1.998 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338384126 176030262 /nfs/dbraw/zinc/03/02/62/176030262.db2.gz SLDYURLOFMBRDO-WCFLWFBJSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338384126 176030264 /nfs/dbraw/zinc/03/02/64/176030264.db2.gz SLDYURLOFMBRDO-WCFLWFBJSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000280124632 176043708 /nfs/dbraw/zinc/04/37/08/176043708.db2.gz CRWSZHGAKITGIW-QWRGUYRKSA-N 1 2 249.314 1.005 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000123485927 176046202 /nfs/dbraw/zinc/04/62/02/176046202.db2.gz ZZGZCKUNYOMCBQ-KXMPLOMGSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000123485927 176046204 /nfs/dbraw/zinc/04/62/04/176046204.db2.gz ZZGZCKUNYOMCBQ-KXMPLOMGSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330597472 176060439 /nfs/dbraw/zinc/06/04/39/176060439.db2.gz CZBPECLBKODBNK-GHMZBOCLSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000134333055 176093274 /nfs/dbraw/zinc/09/32/74/176093274.db2.gz ZKIBMIGIPONISS-SNVBAGLBSA-N 1 2 236.319 1.362 20 0 BDADLO c1n[nH]c2c1C[N@H+](C[C@H]1CCSC1)CCC2 ZINC000668840907 487632727 /nfs/dbraw/zinc/63/27/27/487632727.db2.gz KMVXTSBPBKJZKF-SNVBAGLBSA-N 1 2 237.372 1.911 20 0 BDADLO C[C@@H]1CCC[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000336400880 176113598 /nfs/dbraw/zinc/11/35/98/176113598.db2.gz QHFDJIFSZKYKRE-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336777720 176113744 /nfs/dbraw/zinc/11/37/44/176113744.db2.gz JIMZVJWXLZJAQF-HTQZYQBOSA-N 1 2 224.308 1.425 20 0 BDADLO c1n[nH]c2c1C[N@@H+](C[C@H]1CCSC1)CCC2 ZINC000668840907 487632730 /nfs/dbraw/zinc/63/27/30/487632730.db2.gz KMVXTSBPBKJZKF-SNVBAGLBSA-N 1 2 237.372 1.911 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCc1[nH+]ccn1C ZINC000274444163 176126439 /nfs/dbraw/zinc/12/64/39/176126439.db2.gz LUVDWIWYYPBLCD-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000185886478 176126700 /nfs/dbraw/zinc/12/67/00/176126700.db2.gz KELIOBHSXLSJFP-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288725828 176129209 /nfs/dbraw/zinc/12/92/09/176129209.db2.gz AQTOZQQNEXIIFA-ZJUUUORDSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336445743 176129667 /nfs/dbraw/zinc/12/96/67/176129667.db2.gz HEEUHDTXEHGISC-MNOVXSKESA-N 1 2 248.330 1.597 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000357687112 176148159 /nfs/dbraw/zinc/14/81/59/176148159.db2.gz JPHAORHTOAHYHM-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336445742 176149076 /nfs/dbraw/zinc/14/90/76/176149076.db2.gz HEEUHDTXEHGISC-GHMZBOCLSA-N 1 2 248.330 1.597 20 0 BDADLO C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279353408 176155287 /nfs/dbraw/zinc/15/52/87/176155287.db2.gz FLLHWILDFQTVAF-SECBINFHSA-N 1 2 207.277 1.211 20 0 BDADLO C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000267766537 176155361 /nfs/dbraw/zinc/15/53/61/176155361.db2.gz SGEATFUARYCXFI-GHMZBOCLSA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C)c2)CC[S@]1=O ZINC000277781490 176176019 /nfs/dbraw/zinc/17/60/19/176176019.db2.gz WSKXDBTWYBNEMD-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)CC[S@]1=O ZINC000277781490 176176021 /nfs/dbraw/zinc/17/60/21/176176021.db2.gz WSKXDBTWYBNEMD-BDJLRTHQSA-N 1 2 240.372 1.368 20 0 BDADLO C[C@@H]1CCNC(=O)[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000193522841 176184807 /nfs/dbraw/zinc/18/48/07/176184807.db2.gz MWPVIVAAMAJHJS-LDYMZIIASA-N 1 2 246.314 1.291 20 0 BDADLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000373824208 176191465 /nfs/dbraw/zinc/19/14/65/176191465.db2.gz QARMVVHTMKNLGR-VWYCJHECSA-N 1 2 249.314 1.498 20 0 BDADLO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000267606762 176250942 /nfs/dbraw/zinc/25/09/42/176250942.db2.gz GFTSTUWLJRYYQE-GHMZBOCLSA-N 1 2 236.319 1.181 20 0 BDADLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cocn1 ZINC000271945402 176282070 /nfs/dbraw/zinc/28/20/70/176282070.db2.gz ARSVDZINSQAXMT-BXKDBHETSA-N 1 2 221.304 1.247 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2)[C@H](C)CO1 ZINC000298263759 176307981 /nfs/dbraw/zinc/30/79/81/176307981.db2.gz BZFJFUHCOPXORE-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2)[C@H](C)CO1 ZINC000298263759 176307982 /nfs/dbraw/zinc/30/79/82/176307982.db2.gz BZFJFUHCOPXORE-GHMZBOCLSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C2CC2)O1 ZINC000279415318 176312162 /nfs/dbraw/zinc/31/21/62/176312162.db2.gz WJVVKRVYFSJNAX-MWLCHTKSSA-N 1 2 221.304 1.409 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccc(N)n2)CCC1(F)F ZINC000289931651 176312217 /nfs/dbraw/zinc/31/22/17/176312217.db2.gz UXESDYYBOPOMQU-MRVPVSSYSA-N 1 2 242.273 1.536 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccc(N)n2)CCC1(F)F ZINC000289931651 176312218 /nfs/dbraw/zinc/31/22/18/176312218.db2.gz UXESDYYBOPOMQU-MRVPVSSYSA-N 1 2 242.273 1.536 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000360134725 176312358 /nfs/dbraw/zinc/31/23/58/176312358.db2.gz XQZIPBUNWSYDFF-RQJHMYQMSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1O ZINC000360134725 176312360 /nfs/dbraw/zinc/31/23/60/176312360.db2.gz XQZIPBUNWSYDFF-RQJHMYQMSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)CCCO1 ZINC000170766913 176312435 /nfs/dbraw/zinc/31/24/35/176312435.db2.gz WJYTZDKDSBZYES-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)CCCO1 ZINC000170766913 176312438 /nfs/dbraw/zinc/31/24/38/176312438.db2.gz WJYTZDKDSBZYES-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000334054567 176344746 /nfs/dbraw/zinc/34/47/46/176344746.db2.gz UCPOBLCKUZYOEI-MWLCHTKSSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000334054567 176344748 /nfs/dbraw/zinc/34/47/48/176344748.db2.gz UCPOBLCKUZYOEI-MWLCHTKSSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1COC[C@@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276529124 176345491 /nfs/dbraw/zinc/34/54/91/176345491.db2.gz DNZSFTOPIHNQRI-HIHHVFROSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674314 176382686 /nfs/dbraw/zinc/38/26/86/176382686.db2.gz ISWGQDRSGFYFGJ-RKDXNWHRSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674314 176382688 /nfs/dbraw/zinc/38/26/88/176382688.db2.gz ISWGQDRSGFYFGJ-RKDXNWHRSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374388535 176385177 /nfs/dbraw/zinc/38/51/77/176385177.db2.gz SJDXNUJRCSIZRZ-MXWKQRLJSA-N 1 2 233.315 1.392 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333792993 176395080 /nfs/dbraw/zinc/39/50/80/176395080.db2.gz DSKSXFPJCWMASI-DBIOUOCHSA-N 1 2 248.330 1.844 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC000049228273 176398497 /nfs/dbraw/zinc/39/84/97/176398497.db2.gz DDQFRLYIZHMLTO-HTQZYQBOSA-N 1 2 217.276 1.431 20 0 BDADLO C[C@H](C(=O)Nc1cccc(N)c1)n1cc[nH+]c1 ZINC000022212660 176580392 /nfs/dbraw/zinc/58/03/92/176580392.db2.gz RCRMFMVZTYEFRV-SECBINFHSA-N 1 2 230.271 1.665 20 0 BDADLO C[C@H]([NH2+]Cc1cncs1)c1nncn1C ZINC000054770811 176881621 /nfs/dbraw/zinc/88/16/21/176881621.db2.gz IJKLUAWEPKJQBF-ZETCQYMHSA-N 1 2 223.305 1.122 20 0 BDADLO C[C@H](O)CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000160554152 176960675 /nfs/dbraw/zinc/96/06/75/176960675.db2.gz XOMBDQULKFUEGH-VIFPVBQESA-N 1 2 219.288 1.770 20 0 BDADLO C[C@H](O)[C@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000166103239 177015487 /nfs/dbraw/zinc/01/54/87/177015487.db2.gz BPHIJNWSBUNPMF-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H](O)[C@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000166103239 177015488 /nfs/dbraw/zinc/01/54/88/177015488.db2.gz BPHIJNWSBUNPMF-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000091701946 177042710 /nfs/dbraw/zinc/04/27/10/177042710.db2.gz PINOQBFWGPQETQ-LLVKDONJSA-N 1 2 247.342 1.695 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000091701946 177042711 /nfs/dbraw/zinc/04/27/11/177042711.db2.gz PINOQBFWGPQETQ-LLVKDONJSA-N 1 2 247.342 1.695 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000093234546 177045114 /nfs/dbraw/zinc/04/51/14/177045114.db2.gz IISHCMMYOFGADV-LLVKDONJSA-N 1 2 247.342 1.695 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000093234546 177045117 /nfs/dbraw/zinc/04/51/17/177045117.db2.gz IISHCMMYOFGADV-LLVKDONJSA-N 1 2 247.342 1.695 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)Cc1cnnn1C ZINC000273442787 177045248 /nfs/dbraw/zinc/04/52/48/177045248.db2.gz WTWROSWZICNYJJ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cnnn1C ZINC000273442787 177045249 /nfs/dbraw/zinc/04/52/49/177045249.db2.gz WTWROSWZICNYJJ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NCC1CC1 ZINC000179139322 177045423 /nfs/dbraw/zinc/04/54/23/177045423.db2.gz DARYTPIUZQSVLQ-LLVKDONJSA-N 1 2 247.342 1.601 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NCC1CC1 ZINC000179139322 177045424 /nfs/dbraw/zinc/04/54/24/177045424.db2.gz DARYTPIUZQSVLQ-LLVKDONJSA-N 1 2 247.342 1.601 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364318699 177053233 /nfs/dbraw/zinc/05/32/33/177053233.db2.gz RLSIRQXFYOLUIK-SCZZXKLOSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364318699 177053235 /nfs/dbraw/zinc/05/32/35/177053235.db2.gz RLSIRQXFYOLUIK-SCZZXKLOSA-N 1 2 249.314 1.465 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCCc2occc2C1 ZINC000288718766 177055784 /nfs/dbraw/zinc/05/57/84/177055784.db2.gz FUELDDJSLIMFKP-SECBINFHSA-N 1 2 247.302 1.313 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCCc2occc2C1 ZINC000288718766 177055786 /nfs/dbraw/zinc/05/57/86/177055786.db2.gz FUELDDJSLIMFKP-SECBINFHSA-N 1 2 247.302 1.313 20 0 BDADLO C[C@H]1CCC(C)(C)[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332645428 177069372 /nfs/dbraw/zinc/06/93/72/177069372.db2.gz BSJXDQCNPPHZDK-ZETCQYMHSA-N 1 2 210.281 1.273 20 0 BDADLO C[C@H]1CCC(C)(C)[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332645428 177069374 /nfs/dbraw/zinc/06/93/74/177069374.db2.gz BSJXDQCNPPHZDK-ZETCQYMHSA-N 1 2 210.281 1.273 20 0 BDADLO C[C@H](C(=O)N1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000336441103 177073179 /nfs/dbraw/zinc/07/31/79/177073179.db2.gz CWZSJASAMZTFIM-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1CCCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000134333077 177092584 /nfs/dbraw/zinc/09/25/84/177092584.db2.gz ZKIBMIGIPONISS-JTQLQIEISA-N 1 2 236.319 1.362 20 0 BDADLO C[C@H]1CCC[C@@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000274454672 177123923 /nfs/dbraw/zinc/12/39/23/177123923.db2.gz TVIUKWZEOGZJBF-VHSXEESVSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000263839649 177146727 /nfs/dbraw/zinc/14/67/27/177146727.db2.gz WMRSSNDKRKPFNB-JTQLQIEISA-N 1 2 207.277 1.142 20 0 BDADLO C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000281244873 177146984 /nfs/dbraw/zinc/14/69/84/177146984.db2.gz PRZFYKXUVZQUOJ-NWDGAFQWSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnn[nH]2)CC1(C)C ZINC000336264084 177167534 /nfs/dbraw/zinc/16/75/34/177167534.db2.gz OOAPSQDXIUOUEA-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c[nH]nn2)CC1(C)C ZINC000336264084 177167530 /nfs/dbraw/zinc/16/75/30/177167530.db2.gz OOAPSQDXIUOUEA-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c[nH]nn2)CC1(C)C ZINC000336264084 177167532 /nfs/dbraw/zinc/16/75/32/177167532.db2.gz OOAPSQDXIUOUEA-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnn[nH]2)CC1(C)C ZINC000336264084 177167536 /nfs/dbraw/zinc/16/75/36/177167536.db2.gz OOAPSQDXIUOUEA-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)CC1(C)C ZINC000336264084 177167538 /nfs/dbraw/zinc/16/75/38/177167538.db2.gz OOAPSQDXIUOUEA-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)CC1(C)C ZINC000336264084 177167540 /nfs/dbraw/zinc/16/75/40/177167540.db2.gz OOAPSQDXIUOUEA-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000354023788 177168118 /nfs/dbraw/zinc/16/81/18/177168118.db2.gz GCJVHSJPQBORPV-QMMMGPOBSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000354023788 177168119 /nfs/dbraw/zinc/16/81/19/177168119.db2.gz GCJVHSJPQBORPV-QMMMGPOBSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)[C@H]1CO ZINC000276098374 177171768 /nfs/dbraw/zinc/17/17/68/177171768.db2.gz XLBLXPXAFNCNNT-GWCFXTLKSA-N 1 2 245.326 1.780 20 0 BDADLO C[C@H]1CCN(c2cccc[nH+]2)CCS1(=O)=O ZINC000277077970 177172105 /nfs/dbraw/zinc/17/21/05/177172105.db2.gz TYFGZDRSELTIHP-JTQLQIEISA-N 1 2 240.328 1.095 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1nc[nH+]c(N)c1Cl ZINC000302905806 177173117 /nfs/dbraw/zinc/17/31/17/177173117.db2.gz SURJQOKYZFOFQC-NKWVEPMBSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]cnc(N)c1Cl ZINC000302905806 177173119 /nfs/dbraw/zinc/17/31/19/177173119.db2.gz SURJQOKYZFOFQC-NKWVEPMBSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)[C@H]1C ZINC000302905805 177173168 /nfs/dbraw/zinc/17/31/68/177173168.db2.gz SURJQOKYZFOFQC-BQBZGAKWSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc(N)c2Cl)[C@H]1C ZINC000302905805 177173170 /nfs/dbraw/zinc/17/31/70/177173170.db2.gz SURJQOKYZFOFQC-BQBZGAKWSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000357980420 177189429 /nfs/dbraw/zinc/18/94/29/177189429.db2.gz AAXFUWRWNVCBEC-NWDGAFQWSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2csnn2)C1 ZINC000356351954 177190950 /nfs/dbraw/zinc/19/09/50/177190950.db2.gz ARGLQAARVHRUEL-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2csnn2)C1 ZINC000356351954 177190952 /nfs/dbraw/zinc/19/09/52/177190952.db2.gz ARGLQAARVHRUEL-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@H]1CC[C@@H]([N@H+](CCO)CC(F)F)C1 ZINC000339141804 177191571 /nfs/dbraw/zinc/19/15/71/177191571.db2.gz LNMLDZZJIRPRSB-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[C@@H]([N@@H+](CCO)CC(F)F)C1 ZINC000339141804 177191573 /nfs/dbraw/zinc/19/15/73/177191573.db2.gz LNMLDZZJIRPRSB-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339169688 177204619 /nfs/dbraw/zinc/20/46/19/177204619.db2.gz YLBNZLZGDGNNLZ-QWRGUYRKSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276538756 177211021 /nfs/dbraw/zinc/21/10/21/177211021.db2.gz FVDSWRIKSZAULG-OKWQPMOJSA-N 1 2 235.287 1.059 20 0 BDADLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000289055139 177215327 /nfs/dbraw/zinc/21/53/27/177215327.db2.gz CFBDKKSMTLSJCZ-SNVBAGLBSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@H]1C[NH+](CCC(F)(F)F)C[C@H](C)S1=O ZINC000336357658 177246140 /nfs/dbraw/zinc/24/61/40/177246140.db2.gz YCOHKTMJRNZDPQ-YUMQZZPRSA-N 1 2 243.294 1.780 20 0 BDADLO C[C@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@@H]1C ZINC000267751482 177220570 /nfs/dbraw/zinc/22/05/70/177220570.db2.gz PJXIAHSFQDOZDL-UWVGGRQHSA-N 1 2 236.319 1.218 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3nccn32)C[C@H](C)O1 ZINC000180947588 177264929 /nfs/dbraw/zinc/26/49/29/177264929.db2.gz BRGIFKMKISVVIH-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3nccn32)C[C@H](C)O1 ZINC000180947588 177264932 /nfs/dbraw/zinc/26/49/32/177264932.db2.gz BRGIFKMKISVVIH-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000180947588 177264935 /nfs/dbraw/zinc/26/49/35/177264935.db2.gz BRGIFKMKISVVIH-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccn2)[C@@H](C)CO1 ZINC000299668241 177266125 /nfs/dbraw/zinc/26/61/25/177266125.db2.gz RPHKWMWFIDNJJT-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccn2)[C@@H](C)CO1 ZINC000299668241 177266126 /nfs/dbraw/zinc/26/61/26/177266126.db2.gz RPHKWMWFIDNJJT-QWRGUYRKSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccs2)CC[S@](=O)C1 ZINC000277417162 177267713 /nfs/dbraw/zinc/26/77/13/177267713.db2.gz ITUXUZSOSYXIOS-BONVTDFDSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccs2)CC[S@](=O)C1 ZINC000277417162 177267715 /nfs/dbraw/zinc/26/77/15/177267715.db2.gz ITUXUZSOSYXIOS-BONVTDFDSA-N 1 2 243.397 1.949 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228253 177275193 /nfs/dbraw/zinc/27/51/93/177275193.db2.gz OFTZEGHTUSNPTE-TVQRCGJNSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC(=O)N1 ZINC000296228253 177275195 /nfs/dbraw/zinc/27/51/95/177275195.db2.gz OFTZEGHTUSNPTE-TVQRCGJNSA-N 1 2 248.301 1.633 20 0 BDADLO C[C@H]1CN(c2[nH+]c3cccc(F)c3n2C)C[C@@H]1O ZINC000336967905 177278535 /nfs/dbraw/zinc/27/85/35/177278535.db2.gz IMNPQWWMOXXXLP-KWQFWETISA-N 1 2 249.289 1.529 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC1CCC1 ZINC000361823521 177290756 /nfs/dbraw/zinc/29/07/56/177290756.db2.gz GVHWBHWRCXJKGF-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNC(=O)CC1CCC1 ZINC000361823521 177290757 /nfs/dbraw/zinc/29/07/57/177290757.db2.gz GVHWBHWRCXJKGF-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000129754540 177292057 /nfs/dbraw/zinc/29/20/57/177292057.db2.gz KTRATBJHGSRJRV-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000129754540 177292059 /nfs/dbraw/zinc/29/20/59/177292059.db2.gz KTRATBJHGSRJRV-NSHDSACASA-N 1 2 249.310 1.679 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000226558820 177301694 /nfs/dbraw/zinc/30/16/94/177301694.db2.gz YJCNMWPKZMNWRN-JGVFFNPUSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)s2)[C@@H](C)CO1 ZINC000226558820 177301695 /nfs/dbraw/zinc/30/16/95/177301695.db2.gz YJCNMWPKZMNWRN-JGVFFNPUSA-N 1 2 227.333 1.335 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734489 177314625 /nfs/dbraw/zinc/31/46/25/177314625.db2.gz BRDYXAJMZUBPCK-VGMNWLOBSA-N 1 2 224.308 1.377 20 0 BDADLO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000355734489 177314627 /nfs/dbraw/zinc/31/46/27/177314627.db2.gz BRDYXAJMZUBPCK-VGMNWLOBSA-N 1 2 224.308 1.377 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc2n1CCCCC2 ZINC000336460578 177319745 /nfs/dbraw/zinc/31/97/45/177319745.db2.gz CNOSAPGWCOBUCH-PHIMTYICSA-N 1 2 234.347 1.987 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000336460578 177319747 /nfs/dbraw/zinc/31/97/47/177319747.db2.gz CNOSAPGWCOBUCH-PHIMTYICSA-N 1 2 234.347 1.987 20 0 BDADLO C[C@H]1C[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC000049228277 177345867 /nfs/dbraw/zinc/34/58/67/177345867.db2.gz DDQFRLYIZHMLTO-JGVFFNPUSA-N 1 2 217.276 1.431 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000276710417 177357537 /nfs/dbraw/zinc/35/75/37/177357537.db2.gz RDBJJPKUAVEDGF-RYUDHWBXSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)CCn1cc[nH+]c1 ZINC000336411344 177359404 /nfs/dbraw/zinc/35/94/04/177359404.db2.gz VFSKYHUWVMWHQK-UWVGGRQHSA-N 1 2 207.277 1.283 20 0 BDADLO C[C@H]1C[C@H](C)[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331905611 177359843 /nfs/dbraw/zinc/35/98/43/177359843.db2.gz ZXZWHOPWYYJAGF-UWVGGRQHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000331905611 177359845 /nfs/dbraw/zinc/35/98/45/177359845.db2.gz ZXZWHOPWYYJAGF-UWVGGRQHSA-N 1 2 246.314 1.253 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674313 177373547 /nfs/dbraw/zinc/37/35/47/177373547.db2.gz ISWGQDRSGFYFGJ-IUCAKERBSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000332674313 177373549 /nfs/dbraw/zinc/37/35/49/177373549.db2.gz ISWGQDRSGFYFGJ-IUCAKERBSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@H]1C[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235623521 177382781 /nfs/dbraw/zinc/38/27/81/177382781.db2.gz BTGMHHNQGUPRAH-WDSKDSINSA-N 1 2 212.684 1.780 20 0 BDADLO C[C@H]1C[C@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235623521 177382783 /nfs/dbraw/zinc/38/27/83/177382783.db2.gz BTGMHHNQGUPRAH-WDSKDSINSA-N 1 2 212.684 1.780 20 0 BDADLO C[C@H]1NC(=O)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000281657097 177394181 /nfs/dbraw/zinc/39/41/81/177394181.db2.gz OFHSHAMJJTZNIZ-PSASIEDQSA-N 1 2 246.314 1.433 20 0 BDADLO COCC[C@@H](C)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000674864931 487638311 /nfs/dbraw/zinc/63/83/11/487638311.db2.gz MKKMBXUCGBGUCC-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO COCC[C@@H](C)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000674864931 487638314 /nfs/dbraw/zinc/63/83/14/487638314.db2.gz MKKMBXUCGBGUCC-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)[C@H]1C ZINC000339568203 177430981 /nfs/dbraw/zinc/43/09/81/177430981.db2.gz MAVZYXSBRSBFKL-BDAKNGLRSA-N 1 2 223.324 1.268 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)[C@H]1C ZINC000339568203 177430982 /nfs/dbraw/zinc/43/09/82/177430982.db2.gz MAVZYXSBRSBFKL-BDAKNGLRSA-N 1 2 223.324 1.268 20 0 BDADLO Cc1[nH][nH]c(=NC(=O)Nc2cc[nH+]cc2C)c1C ZINC000336452951 177501445 /nfs/dbraw/zinc/50/14/45/177501445.db2.gz QQIJKQKFGRPAOF-UHFFFAOYSA-N 1 2 245.286 1.218 20 0 BDADLO Cc1cc(NC[C@H](C)N2CCCCC2=O)nc[nH+]1 ZINC000471826973 225085266 /nfs/dbraw/zinc/08/52/66/225085266.db2.gz OUKZYKLSDWJMGM-NSHDSACASA-N 1 2 248.330 1.020 20 0 BDADLO OC[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678788902 487643756 /nfs/dbraw/zinc/64/37/56/487643756.db2.gz QJZLYTUUHPHPMM-SECBINFHSA-N 1 2 210.252 1.429 20 0 BDADLO CC(C)[N@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000049328810 487643803 /nfs/dbraw/zinc/64/38/03/487643803.db2.gz CWWBKKNMJNYLFJ-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO CC(C)[N@@H+](CCCn1cc[nH+]c1)CC(=O)[O-] ZINC000049328810 487643807 /nfs/dbraw/zinc/64/38/07/487643807.db2.gz CWWBKKNMJNYLFJ-UHFFFAOYSA-N 1 2 225.292 1.068 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+](Cc2ncnn2CC(F)F)C1 ZINC000488428136 225396503 /nfs/dbraw/zinc/39/65/03/225396503.db2.gz VMFDLPJHMSOREY-BDAKNGLRSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2ncnn2CC(F)F)C1 ZINC000488428136 225396510 /nfs/dbraw/zinc/39/65/10/225396510.db2.gz VMFDLPJHMSOREY-BDAKNGLRSA-N 1 2 244.289 1.774 20 0 BDADLO CCn1ncnc1C[N@H+](C[C@H](C)OC)C(C)C ZINC000488443508 225399219 /nfs/dbraw/zinc/39/92/19/225399219.db2.gz OIMWAEVSDWWIGA-NSHDSACASA-N 1 2 240.351 1.543 20 0 BDADLO CCn1ncnc1C[N@@H+](C[C@H](C)OC)C(C)C ZINC000488443508 225399221 /nfs/dbraw/zinc/39/92/21/225399221.db2.gz OIMWAEVSDWWIGA-NSHDSACASA-N 1 2 240.351 1.543 20 0 BDADLO C[C@H]1CC[C@H](C)[NH+]1Cc1ncnn1CC(F)F ZINC000488206772 225353537 /nfs/dbraw/zinc/35/35/37/225353537.db2.gz WZVATIHXJGCVPA-IUCAKERBSA-N 1 2 244.289 1.916 20 0 BDADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]2C[C@@H]21 ZINC000672128523 487646319 /nfs/dbraw/zinc/64/63/19/487646319.db2.gz MTCVYNYBTKJNPF-UTUOFQBUSA-N 1 2 245.326 1.456 20 0 BDADLO C[C@]1(F)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492761446 226047563 /nfs/dbraw/zinc/04/75/63/226047563.db2.gz GBLVPLQRWZABKP-VUDBWIFFSA-N 1 2 223.251 1.383 20 0 BDADLO CO[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000492810390 226057846 /nfs/dbraw/zinc/05/78/46/226057846.db2.gz IEOAWTTUHSLWHI-YZKQYGISSA-N 1 2 249.314 1.449 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccsc1 ZINC000492855735 226067499 /nfs/dbraw/zinc/06/74/99/226067499.db2.gz GXVYTYINYFMJQL-OWOJBTEDSA-N 1 2 247.323 1.843 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCn1cccc1 ZINC000492862835 226070111 /nfs/dbraw/zinc/07/01/11/226070111.db2.gz LEJUPHRRXABCAT-ARJAWSKDSA-N 1 2 230.271 1.041 20 0 BDADLO C[C@]1(CO)CCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492865063 226070643 /nfs/dbraw/zinc/07/06/43/226070643.db2.gz OBTMPFGHQYAPAW-YBLMTZRHSA-N 1 2 249.314 1.090 20 0 BDADLO Cn1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492895818 226077541 /nfs/dbraw/zinc/07/75/41/226077541.db2.gz IUFGYRJFSJZOLN-IHWYPQMZSA-N 1 2 230.271 1.078 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCC(F)(F)F ZINC000492899811 226078714 /nfs/dbraw/zinc/07/87/14/226078714.db2.gz MZLBZLVAINJEIZ-OWOJBTEDSA-N 1 2 235.165 1.033 20 0 BDADLO Cn1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000492970291 226094567 /nfs/dbraw/zinc/09/45/67/226094567.db2.gz CSPHRXYHKAHRSQ-NSCUHMNNSA-N 1 2 230.271 1.078 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N(CC(F)F)C1CC1 ZINC000493326859 226187024 /nfs/dbraw/zinc/18/70/24/226187024.db2.gz TWOVUROKTRPMRD-DAFODLJHSA-N 1 2 241.241 1.679 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCOC(F)F ZINC000493330120 226187826 /nfs/dbraw/zinc/18/78/26/226187826.db2.gz XRVNJVPXWLKTTI-IHWYPQMZSA-N 1 2 245.229 1.168 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493069362 226117021 /nfs/dbraw/zinc/11/70/21/226117021.db2.gz HFSMCLNNMYDUKZ-YIZUVKHSSA-N 1 2 233.315 1.927 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC[C@H]1O ZINC000493067979 226117469 /nfs/dbraw/zinc/11/74/69/226117469.db2.gz XJUSONXUDMNWCW-UHGNHILRSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1CSC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493110872 226129878 /nfs/dbraw/zinc/12/98/78/226129878.db2.gz BJYMSSHDRZOMHP-KHVQUVQLSA-N 1 2 237.328 1.291 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H](CO)CC1 ZINC000493116057 226130571 /nfs/dbraw/zinc/13/05/71/226130571.db2.gz JFAFADCCOQPBHW-DLRQAJBASA-N 1 2 249.314 1.044 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1CCO ZINC000493122732 226133893 /nfs/dbraw/zinc/13/38/93/226133893.db2.gz UIIBBDSNMOEECK-XKFHPXPTSA-N 1 2 249.314 1.090 20 0 BDADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493230387 226161918 /nfs/dbraw/zinc/16/19/18/226161918.db2.gz KOCKBCWDWHBPSJ-PLNGDYQASA-N 1 2 228.255 1.765 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493255621 226167620 /nfs/dbraw/zinc/16/76/20/226167620.db2.gz NRFIRPWSUSPNGN-ONEGZZNKSA-N 1 2 231.259 1.402 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493397232 226205482 /nfs/dbraw/zinc/20/54/82/226205482.db2.gz FTOLHHVLAFZNMY-OXMQDWPZSA-N 1 2 233.315 1.926 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493493281 226231689 /nfs/dbraw/zinc/23/16/89/226231689.db2.gz SGUPBPPALRDAHW-ZJRFNNFUSA-N 1 2 233.315 1.975 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccn1 ZINC000493523576 226238591 /nfs/dbraw/zinc/23/85/91/226238591.db2.gz SLQOJCQRBBOCOO-SNAWJCMRSA-N 1 2 228.255 1.134 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000493623635 226246463 /nfs/dbraw/zinc/24/64/63/226246463.db2.gz ZZOCHMHCODRDIG-BXXZLRJFSA-N 1 2 249.314 1.354 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@@H]1C1CC1 ZINC000501568454 226328430 /nfs/dbraw/zinc/32/84/30/226328430.db2.gz JUTNATZJVCPICH-TUAOUCFPSA-N 1 2 245.326 1.360 20 0 BDADLO NC(=O)Cc1ccc(CNc2cccc[nH+]2)cc1 ZINC000675050032 487666031 /nfs/dbraw/zinc/66/60/31/487666031.db2.gz WADAELLVRQUVGR-UHFFFAOYSA-N 1 2 241.294 1.722 20 0 BDADLO COC1C[NH+](Cc2cccc(C)c2F)C1 ZINC000459587340 229143736 /nfs/dbraw/zinc/14/37/36/229143736.db2.gz VEOPQAKTWBSYHA-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO CCCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000557668404 322940812 /nfs/dbraw/zinc/94/08/12/322940812.db2.gz WRSCIEFHKIXTAX-LLVKDONJSA-N 1 2 247.342 1.847 20 0 BDADLO COC[C@@H](C)Cc1noc(Cn2cc[nH+]c2)n1 ZINC000351481880 487675523 /nfs/dbraw/zinc/67/55/23/487675523.db2.gz WPXWQUPOYLYTAH-VIFPVBQESA-N 1 2 236.275 1.139 20 0 BDADLO CCc1cc(N2CC(n3cc[nH+]c3)C2)ncn1 ZINC000675219835 487680768 /nfs/dbraw/zinc/68/07/68/487680768.db2.gz PMZWNQBWQRSNAY-UHFFFAOYSA-N 1 2 229.287 1.297 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC(F)(F)C1 ZINC000383913238 487681005 /nfs/dbraw/zinc/68/10/05/487681005.db2.gz YLTOPXFMLUGMDO-LURJTMIESA-N 1 2 244.245 1.667 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC(F)(F)C1 ZINC000383913238 487681009 /nfs/dbraw/zinc/68/10/09/487681009.db2.gz YLTOPXFMLUGMDO-LURJTMIESA-N 1 2 244.245 1.667 20 0 BDADLO Cc1nc(CN(C)Cc2[nH]cc[nH+]2)co1 ZINC000660142160 487685535 /nfs/dbraw/zinc/68/55/35/487685535.db2.gz PLBZGAOFYAGAQO-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1cc(C(=O)NCc2[nH+]ccn2C)cs1 ZINC000671698858 487695101 /nfs/dbraw/zinc/69/51/01/487695101.db2.gz QYNFYXZOXVICJW-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1occ2c1CCC2 ZINC000671698862 487695633 /nfs/dbraw/zinc/69/56/33/487695633.db2.gz XILUDXBSURQFPB-UHFFFAOYSA-N 1 2 245.282 1.432 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nccn1C(F)F ZINC000399475370 262784611 /nfs/dbraw/zinc/78/46/11/262784611.db2.gz NVPHOEFOUGBATE-BDAKNGLRSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nccn1C(F)F ZINC000399475370 262784612 /nfs/dbraw/zinc/78/46/12/262784612.db2.gz NVPHOEFOUGBATE-BDAKNGLRSA-N 1 2 245.273 1.623 20 0 BDADLO FC1(C[NH+]2CCN(Cc3cccnc3)CC2)CC1 ZINC000527233820 262834802 /nfs/dbraw/zinc/83/48/02/262834802.db2.gz SJNOOTKSQDNOJR-UHFFFAOYSA-N 1 2 249.333 1.701 20 0 BDADLO FC1(CN2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000527233820 262834804 /nfs/dbraw/zinc/83/48/04/262834804.db2.gz SJNOOTKSQDNOJR-UHFFFAOYSA-N 1 2 249.333 1.701 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000527934751 262896544 /nfs/dbraw/zinc/89/65/44/262896544.db2.gz KTBDQSUDQKWBMC-VXGBXAGGSA-N 1 2 248.326 1.953 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CCCOC2)s1 ZINC000671704435 487699404 /nfs/dbraw/zinc/69/94/04/487699404.db2.gz NHIOFGHXWIMTSJ-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CCCOC2)s1 ZINC000671704435 487699407 /nfs/dbraw/zinc/69/94/07/487699407.db2.gz NHIOFGHXWIMTSJ-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO Cc1noc(CN(C)Cc2c[nH+]cn2C(C)C)n1 ZINC000097744860 487702420 /nfs/dbraw/zinc/70/24/20/487702420.db2.gz GINBGHDBKQVUOG-UHFFFAOYSA-N 1 2 249.318 1.787 20 0 BDADLO Cn1cccc1C[N@H+](C)Cc1cncnc1 ZINC000129328944 490070580 /nfs/dbraw/zinc/07/05/80/490070580.db2.gz RQWKRHVHYBHDPU-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cccc1C[N@@H+](C)Cc1cncnc1 ZINC000129328944 490070583 /nfs/dbraw/zinc/07/05/83/490070583.db2.gz RQWKRHVHYBHDPU-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO CC[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671714582 487704465 /nfs/dbraw/zinc/70/44/65/487704465.db2.gz YXICZUJQYDYHPI-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671714582 487704470 /nfs/dbraw/zinc/70/44/70/487704470.db2.gz YXICZUJQYDYHPI-IWSPIJDZSA-N 1 2 241.253 1.409 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC12CCC2 ZINC000675323851 487704872 /nfs/dbraw/zinc/70/48/72/487704872.db2.gz YEAWAPKYJXUKBJ-JTQLQIEISA-N 1 2 233.315 1.569 20 0 BDADLO CO[C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000668419746 487722409 /nfs/dbraw/zinc/72/24/09/487722409.db2.gz KZXXMZHKNRBVLT-QWRGUYRKSA-N 1 2 234.299 1.566 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000668419844 487722301 /nfs/dbraw/zinc/72/23/01/487722301.db2.gz NQQKOKQWCYCNRZ-GWCFXTLKSA-N 1 2 248.326 1.956 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903004069 584716975 /nfs/dbraw/zinc/71/69/75/584716975.db2.gz YZJBVEMYXLKFNE-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903004069 584716977 /nfs/dbraw/zinc/71/69/77/584716977.db2.gz YZJBVEMYXLKFNE-NXEZZACHSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000665704117 487734470 /nfs/dbraw/zinc/73/44/70/487734470.db2.gz XQZWATXTOLURCJ-RKDXNWHRSA-N 1 2 234.303 1.373 20 0 BDADLO C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@H]1C ZINC000665704117 487734478 /nfs/dbraw/zinc/73/44/78/487734478.db2.gz XQZWATXTOLURCJ-RKDXNWHRSA-N 1 2 234.303 1.373 20 0 BDADLO COC(C)(C)CNc1nc[nH+]c2c1OCCN2 ZINC000665703370 487734621 /nfs/dbraw/zinc/73/46/21/487734621.db2.gz KRPZGHATXMABOH-UHFFFAOYSA-N 1 2 238.291 1.118 20 0 BDADLO COC(C)(C)CNc1[nH+]cnc2c1OCCN2 ZINC000665703370 487734626 /nfs/dbraw/zinc/73/46/26/487734626.db2.gz KRPZGHATXMABOH-UHFFFAOYSA-N 1 2 238.291 1.118 20 0 BDADLO CC[N@@H+]1CCN(C[C@@H](O)C(C)C)C[C@@H]1C ZINC000226402949 487734641 /nfs/dbraw/zinc/73/46/41/487734641.db2.gz SLBHAEBFNUIHLB-NWDGAFQWSA-N 1 2 214.353 1.029 20 0 BDADLO CC[N@H+]1CCN(C[C@@H](O)C(C)C)C[C@@H]1C ZINC000226402949 487734649 /nfs/dbraw/zinc/73/46/49/487734649.db2.gz SLBHAEBFNUIHLB-NWDGAFQWSA-N 1 2 214.353 1.029 20 0 BDADLO c1nc(NC2CCC2)c2c([nH+]1)NCCO2 ZINC000665700222 487734787 /nfs/dbraw/zinc/73/47/87/487734787.db2.gz HCPZZJMZPPWQPP-UHFFFAOYSA-N 1 2 206.249 1.245 20 0 BDADLO c1nc2c(c(NC3CCC3)[nH+]1)OCCN2 ZINC000665700222 487734790 /nfs/dbraw/zinc/73/47/90/487734790.db2.gz HCPZZJMZPPWQPP-UHFFFAOYSA-N 1 2 206.249 1.245 20 0 BDADLO CC1(O)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000665706467 487736203 /nfs/dbraw/zinc/73/62/03/487736203.db2.gz PAQCWKHHWUPPTQ-UHFFFAOYSA-N 1 2 248.330 1.402 20 0 BDADLO CC1(O)CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000665706467 487736208 /nfs/dbraw/zinc/73/62/08/487736208.db2.gz PAQCWKHHWUPPTQ-UHFFFAOYSA-N 1 2 248.330 1.402 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753136 487749407 /nfs/dbraw/zinc/74/94/07/487749407.db2.gz MNLYQJPAVMALRR-PKIKSRDPSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753136 487749410 /nfs/dbraw/zinc/74/94/10/487749410.db2.gz MNLYQJPAVMALRR-PKIKSRDPSA-N 1 2 237.303 1.085 20 0 BDADLO C[C@@H]1CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675584425 487750808 /nfs/dbraw/zinc/75/08/08/487750808.db2.gz OUYVTFMNLBMOLT-SNVBAGLBSA-N 1 2 244.298 1.638 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC(F)(F)C1 ZINC000675690527 487766441 /nfs/dbraw/zinc/76/64/41/487766441.db2.gz WUDDVXLBACTJAE-MRVPVSSYSA-N 1 2 229.230 1.187 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC1(C)C ZINC000668448016 487769708 /nfs/dbraw/zinc/76/97/08/487769708.db2.gz IKRPKORZKJQXFO-SECBINFHSA-N 1 2 221.304 1.804 20 0 BDADLO CO[C@@H]1CC[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000668448588 487770235 /nfs/dbraw/zinc/77/02/35/487770235.db2.gz RKKCSFHDLFIVJY-NXEZZACHSA-N 1 2 237.303 1.183 20 0 BDADLO CS[C@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000757465700 585338192 /nfs/dbraw/zinc/33/81/92/585338192.db2.gz PEZWQPIJXPYSLK-MRVPVSSYSA-N 1 2 228.317 1.605 20 0 BDADLO CN(CCOCCO)c1[nH+]c2ccccc2n1C ZINC000302416524 487780557 /nfs/dbraw/zinc/78/05/57/487780557.db2.gz QLFCRYIVBCYLOX-UHFFFAOYSA-N 1 2 249.314 1.018 20 0 BDADLO C[C@H]1SCC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000383752023 487782186 /nfs/dbraw/zinc/78/21/86/487782186.db2.gz FAUJEMADXWJVSA-APPZFPTMSA-N 1 2 249.343 1.669 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679221673 487784460 /nfs/dbraw/zinc/78/44/60/487784460.db2.gz LSTHPEOLTVGOTQ-ZJUUUORDSA-N 1 2 216.300 1.145 20 0 BDADLO CCN(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679221673 487784463 /nfs/dbraw/zinc/78/44/63/487784463.db2.gz LSTHPEOLTVGOTQ-ZJUUUORDSA-N 1 2 216.300 1.145 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226980 487789431 /nfs/dbraw/zinc/78/94/31/487789431.db2.gz WHFJORGZBWSCKY-MNOVXSKESA-N 1 2 244.354 1.971 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679226980 487789437 /nfs/dbraw/zinc/78/94/37/487789437.db2.gz WHFJORGZBWSCKY-MNOVXSKESA-N 1 2 244.354 1.971 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cn2)[C@H](C)C1 ZINC000676886064 487792772 /nfs/dbraw/zinc/79/27/72/487792772.db2.gz YZKJOZQYOVVGAX-BXKDBHETSA-N 1 2 248.330 1.454 20 0 BDADLO CC(C)Oc1cc(NCc2c[nH+]cn2C)ncn1 ZINC000299121372 487794324 /nfs/dbraw/zinc/79/43/24/487794324.db2.gz XJDRHOLUMOTOHT-UHFFFAOYSA-N 1 2 247.302 1.609 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652142233 487794605 /nfs/dbraw/zinc/79/46/05/487794605.db2.gz LPLQQYBUEXYHOC-CMPLNLGQSA-N 1 2 247.342 1.677 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000666400007 487798829 /nfs/dbraw/zinc/79/88/29/487798829.db2.gz PNNMJXVNZWCSFG-NSHDSACASA-N 1 2 241.310 1.153 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000666400007 487798831 /nfs/dbraw/zinc/79/88/31/487798831.db2.gz PNNMJXVNZWCSFG-NSHDSACASA-N 1 2 241.310 1.153 20 0 BDADLO Cc1cc(C[N@H+](C)CCOC(C)(C)C)nn1C ZINC000676041126 487802912 /nfs/dbraw/zinc/80/29/12/487802912.db2.gz BGDUTJATDGISGL-UHFFFAOYSA-N 1 2 239.363 1.975 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOC(C)(C)C)nn1C ZINC000676041126 487802918 /nfs/dbraw/zinc/80/29/18/487802918.db2.gz BGDUTJATDGISGL-UHFFFAOYSA-N 1 2 239.363 1.975 20 0 BDADLO Cc1nc(N2CCCC2(C)C)nc(N(C)C)[nH+]1 ZINC000676079073 487809916 /nfs/dbraw/zinc/80/99/16/487809916.db2.gz CHUYLNFVGIIDQW-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC2(C)C)[nH+]1 ZINC000676079073 487809923 /nfs/dbraw/zinc/80/99/23/487809923.db2.gz CHUYLNFVGIIDQW-UHFFFAOYSA-N 1 2 235.335 1.625 20 0 BDADLO Cn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000199047062 487811647 /nfs/dbraw/zinc/81/16/47/487811647.db2.gz OHADAYGVKSISDD-LBPRGKRZSA-N 1 2 243.310 1.337 20 0 BDADLO Cn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000199047062 487811653 /nfs/dbraw/zinc/81/16/53/487811653.db2.gz OHADAYGVKSISDD-LBPRGKRZSA-N 1 2 243.310 1.337 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875327 487812050 /nfs/dbraw/zinc/81/20/50/487812050.db2.gz NRJZGCVMRNVEPP-JTQLQIEISA-N 1 2 235.331 1.677 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875327 487812055 /nfs/dbraw/zinc/81/20/55/487812055.db2.gz NRJZGCVMRNVEPP-JTQLQIEISA-N 1 2 235.331 1.677 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccon1 ZINC000666450743 487813020 /nfs/dbraw/zinc/81/30/20/487813020.db2.gz FXEWRZABYRSQOC-SNVBAGLBSA-N 1 2 248.286 1.009 20 0 BDADLO Cc1cc(NC(=O)N2CC3CC2(C)C3)cc[nH+]1 ZINC000666490774 487820281 /nfs/dbraw/zinc/82/02/81/487820281.db2.gz YJRBWOSJVIATRF-UHFFFAOYSA-N 1 2 231.299 1.828 20 0 BDADLO CO[C@@]1(C)C[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000666496757 487822130 /nfs/dbraw/zinc/82/21/30/487822130.db2.gz UVLGRRDYULGJKA-YPMHNXCESA-N 1 2 249.314 1.419 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCSC(C)C ZINC000800868756 586234934 /nfs/dbraw/zinc/23/49/34/586234934.db2.gz XSIRIXGUSHNDJC-QMMMGPOBSA-N 1 2 220.338 1.661 20 0 BDADLO COCC[N@H+](C)Cc1ccnc(Cl)c1F ZINC000823394764 587219632 /nfs/dbraw/zinc/21/96/32/587219632.db2.gz ADCPHZMYTBYHTE-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO COCC[N@@H+](C)Cc1ccnc(Cl)c1F ZINC000823394764 587219634 /nfs/dbraw/zinc/21/96/34/587219634.db2.gz ADCPHZMYTBYHTE-UHFFFAOYSA-N 1 2 232.686 1.952 20 0 BDADLO Cc1nc(F)ccc1C[NH2+]C(CF)CF ZINC000824555814 587276412 /nfs/dbraw/zinc/27/64/12/587276412.db2.gz XNGSPRCBYRUEIA-UHFFFAOYSA-N 1 2 218.222 1.926 20 0 BDADLO FC(F)OCC[N@@H+]1CCOCC12CCC2 ZINC000851861423 588635885 /nfs/dbraw/zinc/63/58/85/588635885.db2.gz LAHSQDDICFPKBS-UHFFFAOYSA-N 1 2 221.247 1.481 20 0 BDADLO FC(F)OCC[N@H+]1CCOCC12CCC2 ZINC000851861423 588635886 /nfs/dbraw/zinc/63/58/86/588635886.db2.gz LAHSQDDICFPKBS-UHFFFAOYSA-N 1 2 221.247 1.481 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)CCCF ZINC000887141468 592455665 /nfs/dbraw/zinc/45/56/65/592455665.db2.gz VJDACSMNLRDTCR-UHFFFAOYSA-N 1 2 214.288 1.480 20 0 BDADLO C/C(=C/c1cn(C)c[nH+]1)c1cnccn1 ZINC000669819041 487858551 /nfs/dbraw/zinc/85/85/51/487858551.db2.gz UFPUGBUDDBDILI-UITAMQMPSA-N 1 2 200.245 1.771 20 0 BDADLO CC[C@@H](CO)[NH2+]Cc1noc(C(C)C)n1 ZINC000931766856 640358167 /nfs/dbraw/zinc/35/81/67/640358167.db2.gz LMIFYPLJXATSMA-QMMMGPOBSA-N 1 2 213.281 1.054 20 0 BDADLO C[C@H](N(C)C(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000559132307 322958777 /nfs/dbraw/zinc/95/87/77/322958777.db2.gz NRUZKLVRDZZYRF-JTQLQIEISA-N 1 2 223.320 1.776 20 0 BDADLO C[C@@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681800300 487864228 /nfs/dbraw/zinc/86/42/28/487864228.db2.gz CXQUZOFSVBHWIW-NXEZZACHSA-N 1 2 234.303 1.002 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CC1CCC1 ZINC000682034598 487886354 /nfs/dbraw/zinc/88/63/54/487886354.db2.gz VYNRGKKJNZKPLE-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO OC[C@@H]1CC(F)(F)C[N@H+]1CC1CCC1 ZINC000682034598 487886358 /nfs/dbraw/zinc/88/63/58/487886358.db2.gz VYNRGKKJNZKPLE-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO O=C(C[NH2+]Cc1nc2ccccc2o1)NC1CC1 ZINC000679769941 487896283 /nfs/dbraw/zinc/89/62/83/487896283.db2.gz ACJMQWKHLHYANO-UHFFFAOYSA-N 1 2 245.282 1.196 20 0 BDADLO CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000669900540 487913567 /nfs/dbraw/zinc/91/35/67/487913567.db2.gz WBHDVCRLBRJYSL-NSHDSACASA-N 1 2 242.363 1.402 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CC=CCC1 ZINC000682163883 487920469 /nfs/dbraw/zinc/92/04/69/487920469.db2.gz FLQWCNNNJXOEPC-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CC=CCC1 ZINC000682163883 487920473 /nfs/dbraw/zinc/92/04/73/487920473.db2.gz FLQWCNNNJXOEPC-UHFFFAOYSA-N 1 2 211.696 1.835 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000676791812 487928925 /nfs/dbraw/zinc/92/89/25/487928925.db2.gz COWQZRZFDFKRFF-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO c1n[nH]c2c1CC[N@H+](Cc1ccncc1)C2 ZINC000676791812 487928926 /nfs/dbraw/zinc/92/89/26/487928926.db2.gz COWQZRZFDFKRFF-UHFFFAOYSA-N 1 2 214.272 1.363 20 0 BDADLO CCc1nnc(C[N@H+](CCO)C2CCC2)s1 ZINC000682222467 487929319 /nfs/dbraw/zinc/92/93/19/487929319.db2.gz YFWHILHIIKTMFK-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@@H+](CCO)C2CCC2)s1 ZINC000682222467 487929321 /nfs/dbraw/zinc/92/93/21/487929321.db2.gz YFWHILHIIKTMFK-UHFFFAOYSA-N 1 2 241.360 1.447 20 0 BDADLO Cc1nnc([C@H](C)[N@H+](C)C[C@H](O)C2CC2)s1 ZINC000669930801 487932874 /nfs/dbraw/zinc/93/28/74/487932874.db2.gz KVFJJQZLENFUDO-XVKPBYJWSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H](O)C2CC2)s1 ZINC000669930801 487932881 /nfs/dbraw/zinc/93/28/81/487932881.db2.gz KVFJJQZLENFUDO-XVKPBYJWSA-N 1 2 241.360 1.610 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676842147 487936180 /nfs/dbraw/zinc/93/61/80/487936180.db2.gz OLRBZKBRCLSGJF-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000365101551 487938555 /nfs/dbraw/zinc/93/85/55/487938555.db2.gz UAFBSSSPEJQSIK-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nnnc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000365101551 487938560 /nfs/dbraw/zinc/93/85/60/487938560.db2.gz UAFBSSSPEJQSIK-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]c(C)nc2N)co1 ZINC000556842110 322928652 /nfs/dbraw/zinc/92/86/52/322928652.db2.gz RUBFKEVTPSLXLS-UHFFFAOYSA-N 1 2 246.270 1.029 20 0 BDADLO C[C@@H]1COCC[C@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000569403256 322965238 /nfs/dbraw/zinc/96/52/38/322965238.db2.gz IVUYKKJGALEGAR-NXEZZACHSA-N 1 2 248.286 1.454 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2cccnc2)C1 ZINC000561068437 322994760 /nfs/dbraw/zinc/99/47/60/322994760.db2.gz BKGREQYESDGIER-UHFFFAOYSA-N 1 2 233.315 1.040 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC=CCC1 ZINC000653173486 487956682 /nfs/dbraw/zinc/95/66/82/487956682.db2.gz FEISYMXRLPRUOA-NSHDSACASA-N 1 2 248.330 1.936 20 0 BDADLO Cc1cc(NC(=O)c2cnccn2)cc[nH+]1 ZINC000072709731 323001003 /nfs/dbraw/zinc/00/10/03/323001003.db2.gz NOHOJLXWKIGCGC-UHFFFAOYSA-N 1 2 214.228 1.432 20 0 BDADLO C[C@@H](CC(=O)NCCC(C)(F)F)n1cc[nH+]c1 ZINC000565050044 323006719 /nfs/dbraw/zinc/00/67/19/323006719.db2.gz XIQRHWYAFPTSRS-VIFPVBQESA-N 1 2 245.273 1.996 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)[C@@H](C)C1 ZINC000398346158 323010769 /nfs/dbraw/zinc/01/07/69/323010769.db2.gz XGRFXAKFLUNLHI-WCABBAIRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)[C@@H](C)C1 ZINC000398346158 323010770 /nfs/dbraw/zinc/01/07/70/323010770.db2.gz XGRFXAKFLUNLHI-WCABBAIRSA-N 1 2 208.309 1.719 20 0 BDADLO Cc1cccnc1CNc1nc(C)[nH+]cc1C ZINC000562137070 323012518 /nfs/dbraw/zinc/01/25/18/323012518.db2.gz RVXATZDVKIKTPH-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC(C(F)F)CC1 ZINC000569637080 323013190 /nfs/dbraw/zinc/01/31/90/323013190.db2.gz XBFKMKGEOIHOCH-UHFFFAOYSA-N 1 2 243.257 1.387 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)C1CC1 ZINC000564736662 323014742 /nfs/dbraw/zinc/01/47/42/323014742.db2.gz RIUQGLVJDUDQHO-NXEZZACHSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C1CC1 ZINC000564736662 323014743 /nfs/dbraw/zinc/01/47/43/323014743.db2.gz RIUQGLVJDUDQHO-NXEZZACHSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@H]1CCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000562279405 323014784 /nfs/dbraw/zinc/01/47/84/323014784.db2.gz MIMRMRIXVRQRKF-NSHDSACASA-N 1 2 221.304 1.532 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)C(=O)NC(C)C)[nH]c1C ZINC000564739049 323016089 /nfs/dbraw/zinc/01/60/89/323016089.db2.gz APAFSPVJDANHFH-JTQLQIEISA-N 1 2 238.335 1.029 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)C(=O)NC(C)C)[nH+]c1C ZINC000564739049 323016090 /nfs/dbraw/zinc/01/60/90/323016090.db2.gz APAFSPVJDANHFH-JTQLQIEISA-N 1 2 238.335 1.029 20 0 BDADLO CC1(C)CC[N@H+](CC2(F)CC2)CC[S@]1=O ZINC000562661814 323026429 /nfs/dbraw/zinc/02/64/29/323026429.db2.gz QBRBUOJALMEVCZ-OAHLLOKOSA-N 1 2 233.352 1.722 20 0 BDADLO CC1(C)CC[N@@H+](CC2(F)CC2)CC[S@]1=O ZINC000562661814 323026430 /nfs/dbraw/zinc/02/64/30/323026430.db2.gz QBRBUOJALMEVCZ-OAHLLOKOSA-N 1 2 233.352 1.722 20 0 BDADLO COc1cccc(C[C@@H](C)Nc2c[nH]c[nH+]2)n1 ZINC000562913452 323033309 /nfs/dbraw/zinc/03/33/09/323033309.db2.gz YWEUITCDHHAJPR-SECBINFHSA-N 1 2 232.287 1.856 20 0 BDADLO CC(C)[C@@H]1C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000562936461 323034147 /nfs/dbraw/zinc/03/41/47/323034147.db2.gz XZWDNTQYSQBFQL-JQWIXIFHSA-N 1 2 235.331 1.371 20 0 BDADLO Cc1nc(C)c(CNc2nc(C)[nH+]cc2C)o1 ZINC000565227118 323034602 /nfs/dbraw/zinc/03/46/02/323034602.db2.gz RJBKQKAHMVNURX-UHFFFAOYSA-N 1 2 232.287 1.732 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)Cc1ncccn1 ZINC000569901252 323043999 /nfs/dbraw/zinc/04/39/99/323043999.db2.gz BQCMMFVAZJWMIQ-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)Cc1ncccn1 ZINC000569901252 323044000 /nfs/dbraw/zinc/04/40/00/323044000.db2.gz BQCMMFVAZJWMIQ-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO CCN(C(=O)Cc1c[nH+]cn1C)[C@@H](C)C(C)C ZINC000569987349 323046614 /nfs/dbraw/zinc/04/66/14/323046614.db2.gz XMWGNGQRRRGQRG-NSHDSACASA-N 1 2 237.347 1.856 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C1CC1 ZINC000570407125 323058577 /nfs/dbraw/zinc/05/85/77/323058577.db2.gz JJCAEWZMGZUIEI-ATZCPNFKSA-N 1 2 248.330 1.987 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570402203 323058643 /nfs/dbraw/zinc/05/86/43/323058643.db2.gz ORKAXAIEJZEKBZ-MRVPVSSYSA-N 1 2 247.302 1.813 20 0 BDADLO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000570423933 323059295 /nfs/dbraw/zinc/05/92/95/323059295.db2.gz KNBBUDNZQRYBBH-OUAUKWLOSA-N 1 2 221.304 1.386 20 0 BDADLO CC[C@H](C[N@@H+]1CCC[C@@H]1c1ncon1)OC ZINC000570425886 323059332 /nfs/dbraw/zinc/05/93/32/323059332.db2.gz BJXBTGIFSUIIOB-NXEZZACHSA-N 1 2 225.292 1.632 20 0 BDADLO CC[C@H](C[N@H+]1CCC[C@@H]1c1ncon1)OC ZINC000570425886 323059333 /nfs/dbraw/zinc/05/93/33/323059333.db2.gz BJXBTGIFSUIIOB-NXEZZACHSA-N 1 2 225.292 1.632 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H](O)C1 ZINC000160301854 323064801 /nfs/dbraw/zinc/06/48/01/323064801.db2.gz IHBBJQDHXYZDTB-VIFPVBQESA-N 1 2 208.261 1.051 20 0 BDADLO Cc1cnc(C)nc1N(C)Cc1[nH]cc[nH+]1 ZINC000570695844 323067619 /nfs/dbraw/zinc/06/76/19/323067619.db2.gz CVJGKBRUPQAKBL-UHFFFAOYSA-N 1 2 217.276 1.453 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CC(C)(C)O ZINC000570763844 323069659 /nfs/dbraw/zinc/06/96/59/323069659.db2.gz DEOVUTYUAHPVAJ-UHFFFAOYSA-N 1 2 209.293 1.301 20 0 BDADLO Cc1cccc(CC[N@H+]2CCc3n[nH]nc3C2)n1 ZINC000563053635 323082988 /nfs/dbraw/zinc/08/29/88/323082988.db2.gz WBGUAINKKZJNAT-UHFFFAOYSA-N 1 2 243.314 1.109 20 0 BDADLO CCO/C=C/C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000493587932 323086871 /nfs/dbraw/zinc/08/68/71/323086871.db2.gz QOAIOIZIBAURDG-UVMWJGKXSA-N 1 2 249.314 1.538 20 0 BDADLO C[N@H+](Cc1nnc2n1CCC2)[C@@H]1C=CCCC1 ZINC000531493925 323098636 /nfs/dbraw/zinc/09/86/36/323098636.db2.gz HDUHZTFMDHCIHR-LLVKDONJSA-N 1 2 232.331 1.765 20 0 BDADLO C[N@@H+](Cc1nnc2n1CCC2)[C@@H]1C=CCCC1 ZINC000531493925 323098637 /nfs/dbraw/zinc/09/86/37/323098637.db2.gz HDUHZTFMDHCIHR-LLVKDONJSA-N 1 2 232.331 1.765 20 0 BDADLO Cc1[nH]nc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC000563243538 323106565 /nfs/dbraw/zinc/10/65/65/323106565.db2.gz HFLKELZUPCPSSW-QMMMGPOBSA-N 1 2 247.302 1.813 20 0 BDADLO C[C@H](CC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)n1cc[nH+]c1 ZINC000563258887 323107050 /nfs/dbraw/zinc/10/70/50/323107050.db2.gz NRESDWHRMSIHIX-DCQANWLSSA-N 1 2 233.315 1.749 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)no1 ZINC000531801471 323114098 /nfs/dbraw/zinc/11/40/98/323114098.db2.gz UVYUUFJSIQDSHY-QWRGUYRKSA-N 1 2 237.303 1.379 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)no1 ZINC000531801471 323114099 /nfs/dbraw/zinc/11/40/99/323114099.db2.gz UVYUUFJSIQDSHY-QWRGUYRKSA-N 1 2 237.303 1.379 20 0 BDADLO CC1(C)C[C@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000534271854 323115409 /nfs/dbraw/zinc/11/54/09/323115409.db2.gz AHMGVGRQHIEIGL-VIFPVBQESA-N 1 2 242.326 1.922 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000534332235 323117127 /nfs/dbraw/zinc/11/71/27/323117127.db2.gz UIDNWCALWKKBPS-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000534332235 323117128 /nfs/dbraw/zinc/11/71/28/323117128.db2.gz UIDNWCALWKKBPS-CYBMUJFWSA-N 1 2 243.314 1.547 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1(CCO)CCCC1 ZINC000563420194 323123956 /nfs/dbraw/zinc/12/39/56/323123956.db2.gz OMWYYRVAHKEGPC-UHFFFAOYSA-N 1 2 249.358 1.870 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1([C@@H](O)C(C)C)CC1 ZINC000571226579 323138891 /nfs/dbraw/zinc/13/88/91/323138891.db2.gz RASJJIZIGRFDTC-LBPRGKRZSA-N 1 2 249.358 1.724 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000571236842 323139124 /nfs/dbraw/zinc/13/91/24/323139124.db2.gz AZKMNXYBVCLXSP-NWDGAFQWSA-N 1 2 247.342 1.920 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC=C(C)C ZINC000571416273 323144353 /nfs/dbraw/zinc/14/43/53/323144353.db2.gz DDZZJPMZEQQAFU-UHFFFAOYSA-N 1 2 222.292 1.258 20 0 BDADLO Cc1cc(NC(=O)c2ccncc2)c(C)c[nH+]1 ZINC000535036194 323164204 /nfs/dbraw/zinc/16/42/04/323164204.db2.gz KXHYLSVWWDSSJM-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO Cc1cc(CNC(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000535060785 323164852 /nfs/dbraw/zinc/16/48/52/323164852.db2.gz INZOODNUKCAEKG-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO Cc1ccnc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000532087917 323173405 /nfs/dbraw/zinc/17/34/05/323173405.db2.gz IPTYCTFFPTZERP-UHFFFAOYSA-N 1 2 215.260 1.043 20 0 BDADLO COC(=O)C[C@@H]1CC[C@H](Nc2c[nH]c[nH+]2)[C@@H]1C ZINC000564537176 323174395 /nfs/dbraw/zinc/17/43/95/323174395.db2.gz PJLSMHKTTNYBDK-UTLUCORTSA-N 1 2 237.303 1.799 20 0 BDADLO CSCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000535556247 323183477 /nfs/dbraw/zinc/18/34/77/323183477.db2.gz WRGMQBUDMJSATQ-UHFFFAOYSA-N 1 2 226.349 1.019 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000535556247 323183478 /nfs/dbraw/zinc/18/34/78/323183478.db2.gz WRGMQBUDMJSATQ-UHFFFAOYSA-N 1 2 226.349 1.019 20 0 BDADLO O=C(NCC1CC=CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000529710190 323186045 /nfs/dbraw/zinc/18/60/45/323186045.db2.gz JPGAOLSSYGKHGP-GFCCVEGCSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1cc(N2C[C@H](CO)C[C@H](C)C2)nc[nH+]1 ZINC000398624260 323187322 /nfs/dbraw/zinc/18/73/22/323187322.db2.gz LJYDMDKBKAZHDL-GXSJLCMTSA-N 1 2 221.304 1.240 20 0 BDADLO Cc1cc(NC(=O)COCC2CC2)c(C)c[nH+]1 ZINC000535749144 323190393 /nfs/dbraw/zinc/19/03/93/323190393.db2.gz MZQWIBJUZDJRHP-UHFFFAOYSA-N 1 2 234.299 1.485 20 0 BDADLO CCn1cc(C(=O)Nc2cc(C)[nH+]cc2C)cn1 ZINC000535749155 323190420 /nfs/dbraw/zinc/19/04/20/323190420.db2.gz NUANLJGGBKNJMR-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO CCc1ccsc1C(=O)NCCn1cc[nH+]c1 ZINC000052977180 323196197 /nfs/dbraw/zinc/19/61/97/323196197.db2.gz DYHRKIXGQHIYOL-UHFFFAOYSA-N 1 2 249.339 1.937 20 0 BDADLO CC[C@H](OC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575100 323198118 /nfs/dbraw/zinc/19/81/18/323198118.db2.gz CKENWJFVZWWIAF-NSHDSACASA-N 1 2 222.288 1.484 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@@H]2CCOC2)c(C)c[nH+]1 ZINC000536619225 323198653 /nfs/dbraw/zinc/19/86/53/323198653.db2.gz OJEGREMBFBTRLV-LLVKDONJSA-N 1 2 249.314 1.373 20 0 BDADLO O=C1C[N@H+](Cc2ccnc3ccccc23)CCN1 ZINC000536623533 323198668 /nfs/dbraw/zinc/19/86/68/323198668.db2.gz DVVSDYNDIRXNMO-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2ccnc3ccccc23)CCN1 ZINC000536623533 323198669 /nfs/dbraw/zinc/19/86/69/323198669.db2.gz DVVSDYNDIRXNMO-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO Cc1cc(NC(=O)NCC2(C)COC2)c(C)c[nH+]1 ZINC000536619193 323198714 /nfs/dbraw/zinc/19/87/14/323198714.db2.gz KUQWNHOOKUJYDW-UHFFFAOYSA-N 1 2 249.314 1.278 20 0 BDADLO C[N@@H+]1CCN(C(=O)c2cncs2)CC1(C)C ZINC000519592034 323203633 /nfs/dbraw/zinc/20/36/33/323203633.db2.gz ZMJYREUCULWWRC-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO C[N@H+]1CCN(C(=O)c2cncs2)CC1(C)C ZINC000519592034 323203634 /nfs/dbraw/zinc/20/36/34/323203634.db2.gz ZMJYREUCULWWRC-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2cc[nH]n2)c(C)n1 ZINC000532231295 323210393 /nfs/dbraw/zinc/21/03/93/323210393.db2.gz KISSUPIWTUVPLT-MRVPVSSYSA-N 1 2 231.303 1.667 20 0 BDADLO Cc1nc(N[C@@H]2CC23CCOCC3)cc[nH+]1 ZINC000395633313 323234039 /nfs/dbraw/zinc/23/40/39/323234039.db2.gz FBBMQUHOSOWHHO-SNVBAGLBSA-N 1 2 219.288 1.766 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccco1 ZINC000042293698 323245652 /nfs/dbraw/zinc/24/56/52/323245652.db2.gz CTRFTHZMGAVBEK-UHFFFAOYSA-N 1 2 210.277 1.238 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccco1 ZINC000042293698 323245656 /nfs/dbraw/zinc/24/56/56/323245656.db2.gz CTRFTHZMGAVBEK-UHFFFAOYSA-N 1 2 210.277 1.238 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC1(C2CC2)CC1 ZINC000532390525 323259565 /nfs/dbraw/zinc/25/95/65/323259565.db2.gz AKZBMLSCMOAPIS-UHFFFAOYSA-N 1 2 234.303 1.125 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc[nH+]c(C(C)C)n2)o1 ZINC000532882707 323311880 /nfs/dbraw/zinc/31/18/80/323311880.db2.gz SNVDIMVNYBMFPN-QMMMGPOBSA-N 1 2 247.302 1.886 20 0 BDADLO C[C@@H](C(=O)Nc1nccs1)[NH+]1[C@H](C)C[C@H]1C ZINC000547770350 323345140 /nfs/dbraw/zinc/34/51/40/323345140.db2.gz NYYQKZMMWLDRPU-HLTSFMKQSA-N 1 2 239.344 1.953 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@H]1CCCOC1 ZINC000564009595 323349959 /nfs/dbraw/zinc/34/99/59/323349959.db2.gz KRJKAXIBCLEWQA-GFCCVEGCSA-N 1 2 235.331 1.956 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000530404352 323384463 /nfs/dbraw/zinc/38/44/63/323384463.db2.gz LNQKCRNIXXCJLS-UTUOFQBUSA-N 1 2 249.358 1.856 20 0 BDADLO CN(C)c1ccccc1C[NH2+]Cc1ncccn1 ZINC000564102458 323430215 /nfs/dbraw/zinc/43/02/15/323430215.db2.gz QKHLEGOQSLAQKZ-UHFFFAOYSA-N 1 2 242.326 1.832 20 0 BDADLO CCOCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000136483633 323666165 /nfs/dbraw/zinc/66/61/65/323666165.db2.gz HGJDHOFGYHZFEV-AATRIKPKSA-N 1 2 237.303 1.069 20 0 BDADLO CN(Cc1ccco1)C(=O)Cc1c[nH+]cn1C ZINC000548519916 323675441 /nfs/dbraw/zinc/67/54/41/323675441.db2.gz XOTQNGZAQHTBMZ-UHFFFAOYSA-N 1 2 233.271 1.214 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H]1CCN(C)C(=O)C1 ZINC000528037734 323745016 /nfs/dbraw/zinc/74/50/16/323745016.db2.gz FYDKOEHVZBQPRZ-SNVBAGLBSA-N 1 2 249.314 1.371 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000121697345 324020138 /nfs/dbraw/zinc/02/01/38/324020138.db2.gz CDVMPQFGKXCOGE-ZDUSSCGKSA-N 1 2 248.326 1.998 20 0 BDADLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000121697345 324020141 /nfs/dbraw/zinc/02/01/41/324020141.db2.gz CDVMPQFGKXCOGE-ZDUSSCGKSA-N 1 2 248.326 1.998 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1CCCC1 ZINC000123081925 324081333 /nfs/dbraw/zinc/08/13/33/324081333.db2.gz QCDMJHNFMOSJTH-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO C[C@@H](C(=O)N[C@@H](C)C(F)(F)F)[NH+]1CC(C)C1 ZINC000572496425 324133373 /nfs/dbraw/zinc/13/33/73/324133373.db2.gz LWKGECACWBRYNB-YUMQZZPRSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@@H](NC(=O)N(C)C1CC1)c1[nH+]ccn1C ZINC000667255577 487962788 /nfs/dbraw/zinc/96/27/88/487962788.db2.gz SLWKHWXWSMGLNI-MRVPVSSYSA-N 1 2 222.292 1.285 20 0 BDADLO C[C@@H]1CC[C@@H](C[NH+]=c2[nH]c3ccccc3[nH]2)O1 ZINC000398101905 324218286 /nfs/dbraw/zinc/21/82/86/324218286.db2.gz MYGXKUBPMZNQNZ-ZJUUUORDSA-N 1 2 231.299 1.964 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c(C)c[nH+]1 ZINC000548762797 324221435 /nfs/dbraw/zinc/22/14/35/324221435.db2.gz XCBUUWRPTKBCND-XTWCZFFVSA-N 1 2 248.326 1.872 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000529006248 324231180 /nfs/dbraw/zinc/23/11/80/324231180.db2.gz BXXNIRCVKBYNSL-XDTLVQLUSA-N 1 2 247.342 1.371 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000529038117 324236544 /nfs/dbraw/zinc/23/65/44/324236544.db2.gz BEMAVDXFNQSEIP-YPMHNXCESA-N 1 2 249.314 1.501 20 0 BDADLO CCN(C(=O)N[C@H](C)c1[nH+]ccn1C)C1CC1 ZINC000667257011 487963109 /nfs/dbraw/zinc/96/31/09/487963109.db2.gz ZMITWPMNXIDJGG-SECBINFHSA-N 1 2 236.319 1.675 20 0 BDADLO Cc1ncccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000529883047 324429084 /nfs/dbraw/zinc/42/90/84/324429084.db2.gz XOSKIHBRVNSTHL-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO CCn1nc(C)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000530130738 324489708 /nfs/dbraw/zinc/48/97/08/324489708.db2.gz VFSBWQFBYNXGGH-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO Fc1cc(F)cc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000067667455 324805606 /nfs/dbraw/zinc/80/56/06/324805606.db2.gz CAUAKDPNPGMLTO-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO O=C(CC1CC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146911 487966217 /nfs/dbraw/zinc/96/62/17/487966217.db2.gz VMOWBMMNEWMUAC-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO O=C(CC1CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146910 487965905 /nfs/dbraw/zinc/96/59/05/487965905.db2.gz VMOWBMMNEWMUAC-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO Cc1nc(N2CC(C)=C[C@H](C)C2)nc(N)[nH+]1 ZINC000631260035 487966716 /nfs/dbraw/zinc/96/67/16/487966716.db2.gz CNVMIYDHEUDJDG-ZETCQYMHSA-N 1 2 219.292 1.165 20 0 BDADLO Cc1nc(N)nc(N2CC(C)=C[C@H](C)C2)[nH+]1 ZINC000631260035 487966719 /nfs/dbraw/zinc/96/67/19/487966719.db2.gz CNVMIYDHEUDJDG-ZETCQYMHSA-N 1 2 219.292 1.165 20 0 BDADLO CCN(CC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541124223 324947428 /nfs/dbraw/zinc/94/74/28/324947428.db2.gz FUDCRHKQTVKJDG-UHFFFAOYSA-N 1 2 222.292 1.202 20 0 BDADLO c1cn(CCCSc2cnccn2)c[nH+]1 ZINC000541782177 324979376 /nfs/dbraw/zinc/97/93/76/324979376.db2.gz GPRPFJLBAGOLTB-UHFFFAOYSA-N 1 2 220.301 1.856 20 0 BDADLO Cc1cccc(C[NH2+][C@@H](C)c2nccn2C)n1 ZINC000070445410 325009934 /nfs/dbraw/zinc/00/99/34/325009934.db2.gz KIVHQIUPQVNPQP-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C12CCC(CC1)C2 ZINC000542353011 325022505 /nfs/dbraw/zinc/02/25/05/325022505.db2.gz YYXPKOYFWBDCBX-UHFFFAOYSA-N 1 2 233.315 1.649 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000070733072 325027062 /nfs/dbraw/zinc/02/70/62/325027062.db2.gz HPGWWGWSGYHFEQ-BDAKNGLRSA-N 1 2 241.360 1.708 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)OC)C1CCCCC1 ZINC000542614561 325037808 /nfs/dbraw/zinc/03/78/08/325037808.db2.gz SNWFQCXYWATQJM-PWSUYJOCSA-N 1 2 243.347 1.733 20 0 BDADLO COc1ccc[nH+]c1NCCc1nc(C)no1 ZINC000231900481 325108530 /nfs/dbraw/zinc/10/85/30/325108530.db2.gz QCXUDFFYYHIBCI-UHFFFAOYSA-N 1 2 234.259 1.436 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnccn1 ZINC000131382237 325144287 /nfs/dbraw/zinc/14/42/87/325144287.db2.gz XOUDVBYTWPKXAE-UHFFFAOYSA-N 1 2 230.227 1.133 20 0 BDADLO CCCOCC(=O)Nc1c[nH+]ccc1OC ZINC000131492010 325156306 /nfs/dbraw/zinc/15/63/06/325156306.db2.gz PRTFGBIDOVJVJF-UHFFFAOYSA-N 1 2 224.260 1.455 20 0 BDADLO FC(F)(F)c1cc(C[NH2+]Cc2cc[nH]n2)[nH]n1 ZINC000564280927 325161236 /nfs/dbraw/zinc/16/12/36/325161236.db2.gz HCMNONWZRXKWHY-UHFFFAOYSA-N 1 2 245.208 1.441 20 0 BDADLO Cc1cc(C[NH2+]C(C)(C)c2cnn(C)c2)no1 ZINC000545292214 325208434 /nfs/dbraw/zinc/20/84/34/325208434.db2.gz BWBAXNNFGJJMEY-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnn(C)c1 ZINC000132872673 325250633 /nfs/dbraw/zinc/25/06/33/325250633.db2.gz HCLVRVBRAYOGMI-UHFFFAOYSA-N 1 2 232.243 1.076 20 0 BDADLO CCOCC[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000075008587 325275307 /nfs/dbraw/zinc/27/53/07/325275307.db2.gz AVKSSFMLEWOMBZ-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO CCOCC[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000075008587 325275310 /nfs/dbraw/zinc/27/53/10/325275310.db2.gz AVKSSFMLEWOMBZ-UHFFFAOYSA-N 1 2 238.335 1.161 20 0 BDADLO COC(=O)CCC[NH2+]C1(C(=O)OC)CCCC1 ZINC000133595416 325303323 /nfs/dbraw/zinc/30/33/23/325303323.db2.gz APSUWDPRFYNFFA-UHFFFAOYSA-N 1 2 243.303 1.015 20 0 BDADLO C[C@H]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000546715459 325304476 /nfs/dbraw/zinc/30/44/76/325304476.db2.gz UGCRBVZBVKEFDQ-WDEREUQCSA-N 1 2 235.331 1.515 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@@H](CC)C1 ZINC000076071920 325328098 /nfs/dbraw/zinc/32/80/98/325328098.db2.gz MQZPCZQNCXNYGL-VIFPVBQESA-N 1 2 217.334 1.377 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@@H](CC)C1 ZINC000076071920 325328099 /nfs/dbraw/zinc/32/80/99/325328099.db2.gz MQZPCZQNCXNYGL-VIFPVBQESA-N 1 2 217.334 1.377 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000076064027 325328289 /nfs/dbraw/zinc/32/82/89/325328289.db2.gz XLSNWTMEPIJPJV-JTQLQIEISA-N 1 2 231.361 1.623 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000076064027 325328293 /nfs/dbraw/zinc/32/82/93/325328293.db2.gz XLSNWTMEPIJPJV-JTQLQIEISA-N 1 2 231.361 1.623 20 0 BDADLO C[C@H]1[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1(F)F ZINC000547308522 325338427 /nfs/dbraw/zinc/33/84/27/325338427.db2.gz RRLKYYVTOAQMSE-CBAPKCEASA-N 1 2 241.241 1.168 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(CO)o1 ZINC000547524896 325369313 /nfs/dbraw/zinc/36/93/13/325369313.db2.gz RIDRWVALHYOANJ-CYBMUJFWSA-N 1 2 239.315 1.773 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(CO)o1 ZINC000547524896 325369315 /nfs/dbraw/zinc/36/93/15/325369315.db2.gz RIDRWVALHYOANJ-CYBMUJFWSA-N 1 2 239.315 1.773 20 0 BDADLO CN(Cc1ccncc1)C(=O)Cc1c[nH+]cn1C ZINC000547539559 325371259 /nfs/dbraw/zinc/37/12/59/325371259.db2.gz OGRIEMIQGCJXSC-UHFFFAOYSA-N 1 2 244.298 1.016 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2nccc(N)n2)[C@H]1C ZINC000135087835 325392402 /nfs/dbraw/zinc/39/24/02/325392402.db2.gz SLLYFTNWHWTNEI-DTWKUNHWSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2nccc(N)n2)[C@H]1C ZINC000135087835 325392403 /nfs/dbraw/zinc/39/24/03/325392403.db2.gz SLLYFTNWHWTNEI-DTWKUNHWSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000547769173 325395105 /nfs/dbraw/zinc/39/51/05/325395105.db2.gz FICUICUSOPRAFI-LNLATYFQSA-N 1 2 236.290 1.835 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc(C2CC2)o1 ZINC000548097584 325429466 /nfs/dbraw/zinc/42/94/66/325429466.db2.gz CGZXXCCNOAVKBK-HTQZYQBOSA-N 1 2 207.277 1.930 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)cc[nH+]1 ZINC000078885887 325434688 /nfs/dbraw/zinc/43/46/88/325434688.db2.gz MIQRZGCJTRHQAN-JTQLQIEISA-N 1 2 247.298 1.197 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NC(C)C ZINC000136016852 325437292 /nfs/dbraw/zinc/43/72/92/325437292.db2.gz LDIPGNGAKOYWNH-AATRIKPKSA-N 1 2 207.277 1.441 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000548501296 325464724 /nfs/dbraw/zinc/46/47/24/325464724.db2.gz OPUXSCANDCCXOQ-GXTWGEPZSA-N 1 2 247.342 1.949 20 0 BDADLO C[C@@H]1CCC[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548520581 325466265 /nfs/dbraw/zinc/46/62/65/325466265.db2.gz GAJKTQAORZONJT-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO O=C(NCC1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682456314 487967912 /nfs/dbraw/zinc/96/79/12/487967912.db2.gz UFQYDLOKSCZXRE-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO CCn1cc[nH+]c1CN(C)Cc1cnccn1 ZINC000080965552 325486965 /nfs/dbraw/zinc/48/69/65/325486965.db2.gz PQRPIUKHERBTOC-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C(C)C ZINC000251865994 325682868 /nfs/dbraw/zinc/68/28/68/325682868.db2.gz QELTYNLTAFPXSX-HBNTYKKESA-N 1 2 229.320 1.341 20 0 BDADLO CC(C)[C@H]1N(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000554306160 325713050 /nfs/dbraw/zinc/71/30/50/325713050.db2.gz SWLBQWIFALXGLA-GFCCVEGCSA-N 1 2 235.331 1.776 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CC=CCC1 ZINC000554404922 325719010 /nfs/dbraw/zinc/71/90/10/325719010.db2.gz LAMINSAMRBPEQL-NSHDSACASA-N 1 2 233.315 1.435 20 0 BDADLO Cc1ccc(CC(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000554795387 325736719 /nfs/dbraw/zinc/73/67/19/325736719.db2.gz CEDVXPPLSGPWSO-UHFFFAOYSA-N 1 2 230.267 1.895 20 0 BDADLO Cc1cc(C)n(CC[NH2+][C@H](C)c2nnc(C)o2)n1 ZINC000554870233 325739002 /nfs/dbraw/zinc/73/90/02/325739002.db2.gz QAKVXVHOFFJNCM-SNVBAGLBSA-N 1 2 249.318 1.542 20 0 BDADLO COC[C@@H](C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000555893955 325773281 /nfs/dbraw/zinc/77/32/81/325773281.db2.gz BVXCIKFTXKSPIO-LBPRGKRZSA-N 1 2 249.358 1.798 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CCOCC3)ccn12 ZINC000565172299 325867295 /nfs/dbraw/zinc/86/72/95/325867295.db2.gz LYBZQDHMTBDUAK-UHFFFAOYSA-N 1 2 245.282 1.115 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000672147276 487970727 /nfs/dbraw/zinc/97/07/27/487970727.db2.gz JNTFZZSQFBNBRD-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2ncccn2)cn1 ZINC000565244300 325885715 /nfs/dbraw/zinc/88/57/15/325885715.db2.gz HTBMMXVJOSBEPL-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO CN(CC(F)F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682491468 487971149 /nfs/dbraw/zinc/97/11/49/487971149.db2.gz GMQNFSJEIGVXQT-QMMMGPOBSA-N 1 2 243.257 1.169 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566291229 326029628 /nfs/dbraw/zinc/02/96/28/326029628.db2.gz GKNUECKRBTULLU-FOGDFJRCSA-N 1 2 233.315 1.360 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1F)n1cc[nH+]c1 ZINC000566302988 326031234 /nfs/dbraw/zinc/03/12/34/326031234.db2.gz CJHKOCQPAHWJRR-GARJFASQSA-N 1 2 239.294 1.841 20 0 BDADLO CC[C@H](O)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566331037 326034340 /nfs/dbraw/zinc/03/43/40/326034340.db2.gz LHBZQUATJQUHDK-MNOVXSKESA-N 1 2 239.319 1.111 20 0 BDADLO CCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566430992 326046462 /nfs/dbraw/zinc/04/64/62/326046462.db2.gz BIVSHUUHBQUFQG-VIFPVBQESA-N 1 2 209.293 1.505 20 0 BDADLO CCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566430992 326046464 /nfs/dbraw/zinc/04/64/64/326046464.db2.gz BIVSHUUHBQUFQG-VIFPVBQESA-N 1 2 209.293 1.505 20 0 BDADLO CC(C)n1cc(C[NH2+]Cc2ncccn2)cn1 ZINC000566501637 326059804 /nfs/dbraw/zinc/05/98/04/326059804.db2.gz YURSDCOETDPNMM-UHFFFAOYSA-N 1 2 231.303 1.544 20 0 BDADLO C[N@@H+](Cc1ncccc1O)[C@@H]1CCN(C2CC2)C1 ZINC000566882823 326090803 /nfs/dbraw/zinc/09/08/03/326090803.db2.gz YWRFSNQYCLGDRW-GFCCVEGCSA-N 1 2 247.342 1.456 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)CCOC ZINC000154431423 326144381 /nfs/dbraw/zinc/14/43/81/326144381.db2.gz INUXMYIIJIOVFL-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)CCOC ZINC000154431423 326144383 /nfs/dbraw/zinc/14/43/83/326144383.db2.gz INUXMYIIJIOVFL-UHFFFAOYSA-N 1 2 226.324 1.075 20 0 BDADLO CNc1[nH+]cnc2c1cnn2Cc1coc(C)n1 ZINC000567290813 326156763 /nfs/dbraw/zinc/15/67/63/326156763.db2.gz NFSZWQPRZQGULB-UHFFFAOYSA-N 1 2 244.258 1.213 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccon1 ZINC000309765668 326167352 /nfs/dbraw/zinc/16/73/52/326167352.db2.gz JNGLCHASRQCXDO-QMMMGPOBSA-N 1 2 222.244 1.611 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(C(C)(C)C)C1 ZINC000567345103 326168509 /nfs/dbraw/zinc/16/85/09/326168509.db2.gz MVNJUOCPHZYILA-UHFFFAOYSA-N 1 2 235.331 1.467 20 0 BDADLO Cc1ccncc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000567366618 326175493 /nfs/dbraw/zinc/17/54/93/326175493.db2.gz DVYKDRMGBHLHAF-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO CCc1nn(C)c(CC)c1C[NH+]1CCOCC1 ZINC000156387356 326230606 /nfs/dbraw/zinc/23/06/06/326230606.db2.gz CEWJLBACOFLIBM-UHFFFAOYSA-N 1 2 237.347 1.377 20 0 BDADLO CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000156599605 326236261 /nfs/dbraw/zinc/23/62/61/326236261.db2.gz UXPNIQUYAIBPFM-UHFFFAOYSA-N 1 2 233.315 1.818 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC1CCC1)C(C)C ZINC000567716553 326250244 /nfs/dbraw/zinc/25/02/44/326250244.db2.gz ZDEFQDBPOGQACY-LBPRGKRZSA-N 1 2 243.347 1.590 20 0 BDADLO Cc1cc(N[C@@H]2CO[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000567768606 326256822 /nfs/dbraw/zinc/25/68/22/326256822.db2.gz SCIDXZQFFBHNDA-ONGXEEELSA-N 1 2 233.315 1.674 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000567770651 326257013 /nfs/dbraw/zinc/25/70/13/326257013.db2.gz CKBALDKEVLIIOJ-SNVBAGLBSA-N 1 2 234.347 1.923 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000567770651 326257015 /nfs/dbraw/zinc/25/70/15/326257015.db2.gz CKBALDKEVLIIOJ-SNVBAGLBSA-N 1 2 234.347 1.923 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc2ccccn12 ZINC000157618415 326287159 /nfs/dbraw/zinc/28/71/59/326287159.db2.gz JAUIESDKLYGDFQ-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc2ccccn12 ZINC000157618415 326287160 /nfs/dbraw/zinc/28/71/60/326287160.db2.gz JAUIESDKLYGDFQ-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC1(C)C ZINC000157770292 326294808 /nfs/dbraw/zinc/29/48/08/326294808.db2.gz JUUXFZUMUCFMLI-NSHDSACASA-N 1 2 247.342 1.810 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cncnc2)[nH+]1 ZINC000568069194 326303408 /nfs/dbraw/zinc/30/34/08/326303408.db2.gz BNQKUJGJIKMKSU-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO C[C@@H]1CSCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000568202717 326325762 /nfs/dbraw/zinc/32/57/62/326325762.db2.gz UPKKJGDUWHQVJO-SNVBAGLBSA-N 1 2 242.388 1.292 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000568247742 326334141 /nfs/dbraw/zinc/33/41/41/326334141.db2.gz VRNYRNJSPUUWAX-VGMNWLOBSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000568247742 326334144 /nfs/dbraw/zinc/33/41/44/326334144.db2.gz VRNYRNJSPUUWAX-VGMNWLOBSA-N 1 2 234.303 1.668 20 0 BDADLO CCN(CC)C(=O)/C=C/c1[nH+]ccn1CC ZINC000158696644 326337915 /nfs/dbraw/zinc/33/79/15/326337915.db2.gz GWICIHRIDOSWSA-BQYQJAHWSA-N 1 2 221.304 1.785 20 0 BDADLO Cc1[nH]c(CNCc2nnc(C3CC3)[nH]2)[nH+]c1C ZINC000568273514 326339102 /nfs/dbraw/zinc/33/91/02/326339102.db2.gz UDURALYRPKVOPJ-UHFFFAOYSA-N 1 2 246.318 1.312 20 0 BDADLO Cc1c([C@H](C)Nc2nc(C)[nH+]cc2C)cnn1C ZINC000568294735 326342484 /nfs/dbraw/zinc/34/24/84/326342484.db2.gz AGXXEYCQBJBHMU-VIFPVBQESA-N 1 2 245.330 1.730 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000158966102 326347165 /nfs/dbraw/zinc/34/71/65/326347165.db2.gz XCMJDHVYEMDDSQ-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1C=CCCC1 ZINC000159201410 326353263 /nfs/dbraw/zinc/35/32/63/326353263.db2.gz XTINSIQUYRZGDG-NSHDSACASA-N 1 2 234.303 1.291 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1cc[nH]c(=O)c1 ZINC000568413081 326355971 /nfs/dbraw/zinc/35/59/71/326355971.db2.gz SXUJTHTZPUGLLE-UHFFFAOYSA-N 1 2 230.271 1.228 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000568430706 326356806 /nfs/dbraw/zinc/35/68/06/326356806.db2.gz DBOUMBSAHXSKFS-GHMZBOCLSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cscc1NC(=O)Cc1c[nH+]cn1C ZINC000568680486 326372219 /nfs/dbraw/zinc/37/22/19/326372219.db2.gz ISJXIAGEXPZEPD-UHFFFAOYSA-N 1 2 235.312 1.971 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000568827834 326378392 /nfs/dbraw/zinc/37/83/92/326378392.db2.gz NIGCGWFPHBDWGU-PEGIJTEDSA-N 1 2 248.330 1.360 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2C[C@H](O)C2(C)C)no1 ZINC000569018125 326386425 /nfs/dbraw/zinc/38/64/25/326386425.db2.gz VOFFRKGYYGRHJL-IUCAKERBSA-N 1 2 239.319 1.442 20 0 BDADLO C[C@@H](O)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569250869 326397923 /nfs/dbraw/zinc/39/79/23/326397923.db2.gz UGZVHGBDMYBJAN-WDEREUQCSA-N 1 2 239.319 1.111 20 0 BDADLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cnccn1 ZINC000569315618 326399735 /nfs/dbraw/zinc/39/97/35/326399735.db2.gz QTXBDJZTPWAOSH-CYBMUJFWSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cnccn1 ZINC000569315618 326399736 /nfs/dbraw/zinc/39/97/36/326399736.db2.gz QTXBDJZTPWAOSH-CYBMUJFWSA-N 1 2 235.331 1.724 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682504596 487972063 /nfs/dbraw/zinc/97/20/63/487972063.db2.gz LAZSWINFUISOKF-GRYCIOLGSA-N 1 2 247.342 1.702 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1Cc2ccccc2C1 ZINC000573031934 326425864 /nfs/dbraw/zinc/42/58/64/326425864.db2.gz SCJGTMGLKYPHMO-UHFFFAOYSA-N 1 2 227.267 1.426 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000573222405 326436764 /nfs/dbraw/zinc/43/67/64/326436764.db2.gz NFBOLKPCFSPZAR-CKYFFXLPSA-N 1 2 249.314 1.080 20 0 BDADLO CC(C)C1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682516087 487974059 /nfs/dbraw/zinc/97/40/59/487974059.db2.gz IVCFODUPVHDZOU-LLVKDONJSA-N 1 2 247.342 1.560 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cncs1 ZINC000661092834 487977691 /nfs/dbraw/zinc/97/76/91/487977691.db2.gz LHIYKLNTOHMKJW-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1cncs1 ZINC000661092834 487977693 /nfs/dbraw/zinc/97/76/93/487977693.db2.gz LHIYKLNTOHMKJW-UHFFFAOYSA-N 1 2 208.290 1.498 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000682535419 487980025 /nfs/dbraw/zinc/98/00/25/487980025.db2.gz WAOJOSGUABPGEI-NTZNESFSSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000682535419 487980027 /nfs/dbraw/zinc/98/00/27/487980027.db2.gz WAOJOSGUABPGEI-NTZNESFSSA-N 1 2 236.315 1.224 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)o1 ZINC000093384461 487983077 /nfs/dbraw/zinc/98/30/77/487983077.db2.gz HBUOGYUXARADGO-SECBINFHSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)o1 ZINC000093384461 487983082 /nfs/dbraw/zinc/98/30/82/487983082.db2.gz HBUOGYUXARADGO-SECBINFHSA-N 1 2 245.344 1.453 20 0 BDADLO CC[C@H](C)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547349 487984888 /nfs/dbraw/zinc/98/48/88/487984888.db2.gz RELJXRHCJBZFBJ-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547349 487984893 /nfs/dbraw/zinc/98/48/93/487984893.db2.gz RELJXRHCJBZFBJ-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO O[C@H]1C[N@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC000682548818 487985775 /nfs/dbraw/zinc/98/57/75/487985775.db2.gz QVIILXTYWWKXHH-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@H]1C[N@@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC000682548818 487985783 /nfs/dbraw/zinc/98/57/83/487985783.db2.gz QVIILXTYWWKXHH-NXEZZACHSA-N 1 2 235.274 1.115 20 0 BDADLO CC(C)[C@@H](C)N(C)c1nc[nH+]c2c1OCCN2 ZINC000665694972 487991570 /nfs/dbraw/zinc/99/15/70/487991570.db2.gz ZAQWRPJXNNGPQG-SECBINFHSA-N 1 2 236.319 1.762 20 0 BDADLO CC(C)[C@@H](C)N(C)c1[nH+]cnc2c1OCCN2 ZINC000665694972 487991575 /nfs/dbraw/zinc/99/15/75/487991575.db2.gz ZAQWRPJXNNGPQG-SECBINFHSA-N 1 2 236.319 1.762 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2cncs2)C[C@@H]1C ZINC000677183432 487992672 /nfs/dbraw/zinc/99/26/72/487992672.db2.gz SMTGOOKIGXJSAB-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2cncs2)C[C@@H]1C ZINC000677183432 487992674 /nfs/dbraw/zinc/99/26/74/487992674.db2.gz SMTGOOKIGXJSAB-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CO[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CCCC1 ZINC000668604849 487998483 /nfs/dbraw/zinc/99/84/83/487998483.db2.gz UZOXPPKPGUMFQK-NSHDSACASA-N 1 2 237.303 1.231 20 0 BDADLO Cc1cc(C)cc(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000668604983 487998519 /nfs/dbraw/zinc/99/85/19/487998519.db2.gz YWZPHBDQMCRCBC-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000668605005 487998578 /nfs/dbraw/zinc/99/85/78/487998578.db2.gz ZLQQRMITXDUCKW-QMMMGPOBSA-N 1 2 207.277 1.462 20 0 BDADLO CCCCCNc1nc[nH+]c(N)c1OC ZINC000134814090 487999610 /nfs/dbraw/zinc/99/96/10/487999610.db2.gz QNQPEALCNDNOSB-UHFFFAOYSA-N 1 2 210.281 1.670 20 0 BDADLO CCCCCNc1[nH+]cnc(N)c1OC ZINC000134814090 487999619 /nfs/dbraw/zinc/99/96/19/487999619.db2.gz QNQPEALCNDNOSB-UHFFFAOYSA-N 1 2 210.281 1.670 20 0 BDADLO CCc1cc(NCc2cncnc2N)nc[nH+]1 ZINC000677237234 488004371 /nfs/dbraw/zinc/00/43/71/488004371.db2.gz FOHBMHHFNNEAIL-UHFFFAOYSA-N 1 2 230.275 1.023 20 0 BDADLO C[C@@H](O)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000494892166 533714091 /nfs/dbraw/zinc/71/40/91/533714091.db2.gz RRVIVPOOWPRTJX-KOLCDFICSA-N 1 2 238.335 1.397 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH+]1CCOCC1 ZINC000667461520 488013655 /nfs/dbraw/zinc/01/36/55/488013655.db2.gz DJURTKLJQWREKV-UHFFFAOYSA-N 1 2 221.304 1.130 20 0 BDADLO CCN(C[C@@H]1CCOC1)c1cccc[nH+]1 ZINC000682394509 488019731 /nfs/dbraw/zinc/01/97/31/488019731.db2.gz SRJDTPSXXFTKNF-NSHDSACASA-N 1 2 206.289 1.944 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)C1CC1 ZINC000669163581 488033281 /nfs/dbraw/zinc/03/32/81/488033281.db2.gz MWZUPTKKVHOIOC-GHMZBOCLSA-N 1 2 247.342 1.828 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H](NCc2cn[nH]c2)C1 ZINC000677426264 488034603 /nfs/dbraw/zinc/03/46/03/488034603.db2.gz KOVLDLPEEQSIMG-CQSZACIVSA-N 1 2 242.326 1.686 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cn[nH]c2)C1 ZINC000677426264 488034606 /nfs/dbraw/zinc/03/46/06/488034606.db2.gz KOVLDLPEEQSIMG-CQSZACIVSA-N 1 2 242.326 1.686 20 0 BDADLO Cc1cc(NC(=O)C[C@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000668635136 488035094 /nfs/dbraw/zinc/03/50/94/488035094.db2.gz IOUKHUNHHACTHZ-GWCFXTLKSA-N 1 2 248.326 1.956 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000667532681 488040219 /nfs/dbraw/zinc/04/02/19/488040219.db2.gz VNGVQWKKWPWCGK-CYBMUJFWSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccnn1CC1CC1 ZINC000667532681 488040223 /nfs/dbraw/zinc/04/02/23/488040223.db2.gz VNGVQWKKWPWCGK-CYBMUJFWSA-N 1 2 249.358 1.904 20 0 BDADLO CCN1OC[C@@H]([NH+]2Cc3ccccc3C2)C1=O ZINC000682842065 488051455 /nfs/dbraw/zinc/05/14/55/488051455.db2.gz CVVFONRVVJOMEX-GFCCVEGCSA-N 1 2 232.283 1.165 20 0 BDADLO CCc1cc(C)nc(NCc2ccc(N)[nH+]c2)n1 ZINC000682842990 488052650 /nfs/dbraw/zinc/05/26/50/488052650.db2.gz WCVKNBWXPOGGJY-UHFFFAOYSA-N 1 2 243.314 1.937 20 0 BDADLO C[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670076809 488053624 /nfs/dbraw/zinc/05/36/24/488053624.db2.gz KMRBTQLEPUPLIS-SNVBAGLBSA-N 1 2 248.330 1.443 20 0 BDADLO CC(C)CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081416 488067861 /nfs/dbraw/zinc/06/78/61/488067861.db2.gz QOGIQDZOPOIWML-UHFFFAOYSA-N 1 2 236.319 1.347 20 0 BDADLO O=C(c1cnco1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000677536068 488068277 /nfs/dbraw/zinc/06/82/77/488068277.db2.gz YIBGNCMMUCUXJW-VIFPVBQESA-N 1 2 246.270 1.418 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)N(C)C1CCC1 ZINC000670082325 488069071 /nfs/dbraw/zinc/06/90/71/488069071.db2.gz JDMYSHLZCAMORH-UHFFFAOYSA-N 1 2 248.330 1.586 20 0 BDADLO Cc1ccc(NC(=O)c2cnco2)c(C)[nH+]1 ZINC000677565509 488076168 /nfs/dbraw/zinc/07/61/68/488076168.db2.gz PPYANMVGRQTFLI-UHFFFAOYSA-N 1 2 217.228 1.939 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1ncccn1 ZINC000683019110 488094230 /nfs/dbraw/zinc/09/42/30/488094230.db2.gz YVJSUOSBXKUSSO-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1ncccn1 ZINC000683019110 488094232 /nfs/dbraw/zinc/09/42/32/488094232.db2.gz YVJSUOSBXKUSSO-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO COCC1([N@H+](C)Cc2cc(C)on2)CC1 ZINC000677726690 488095968 /nfs/dbraw/zinc/09/59/68/488095968.db2.gz OSFDUHYYZFPITD-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO COCC1([N@@H+](C)Cc2cc(C)on2)CC1 ZINC000677726690 488095973 /nfs/dbraw/zinc/09/59/73/488095973.db2.gz OSFDUHYYZFPITD-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nccc(N)n2)c1 ZINC000683031816 488102345 /nfs/dbraw/zinc/10/23/45/488102345.db2.gz ZLJJJDPSPYDYJL-UHFFFAOYSA-N 1 2 245.330 1.512 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nccc(N)n2)c1 ZINC000683031816 488102346 /nfs/dbraw/zinc/10/23/46/488102346.db2.gz ZLJJJDPSPYDYJL-UHFFFAOYSA-N 1 2 245.330 1.512 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@H]1C(F)(F)F ZINC000677724628 488103013 /nfs/dbraw/zinc/10/30/13/488103013.db2.gz MZOBFGKUHWBBIO-VIFPVBQESA-N 1 2 249.236 1.183 20 0 BDADLO O=C([O-])c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000094461855 487537161 /nfs/dbraw/zinc/53/71/61/487537161.db2.gz MCWJZWYEKIBTDM-LLVKDONJSA-N 1 2 247.298 1.064 20 0 BDADLO O=C([O-])c1cc(N2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000094461855 487537165 /nfs/dbraw/zinc/53/71/65/487537165.db2.gz MCWJZWYEKIBTDM-LLVKDONJSA-N 1 2 247.298 1.064 20 0 BDADLO C[C@@H](C(=O)N(C)C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732360 488110391 /nfs/dbraw/zinc/11/03/91/488110391.db2.gz FUANJGDCEWKKLN-QMMMGPOBSA-N 1 2 232.274 1.194 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683110073 488111364 /nfs/dbraw/zinc/11/13/64/488111364.db2.gz XSGUZHHVIYPCKN-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683110073 488111368 /nfs/dbraw/zinc/11/13/68/488111368.db2.gz XSGUZHHVIYPCKN-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO COCC(C)(C)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683164200 488122546 /nfs/dbraw/zinc/12/25/46/488122546.db2.gz KTUKCQNITVWDPB-SECBINFHSA-N 1 2 237.290 1.361 20 0 BDADLO COCC(C)(C)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683164200 488122550 /nfs/dbraw/zinc/12/25/50/488122550.db2.gz KTUKCQNITVWDPB-SECBINFHSA-N 1 2 237.290 1.361 20 0 BDADLO CC(C)c1cc(N(C)Cc2[nH]cc[nH+]2)ncn1 ZINC000683190896 488126340 /nfs/dbraw/zinc/12/63/40/488126340.db2.gz QZYFDSGBPOAACU-UHFFFAOYSA-N 1 2 231.303 1.960 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)CC(C)(F)F ZINC000683215000 488131354 /nfs/dbraw/zinc/13/13/54/488131354.db2.gz JPHYYOXGAOHKDL-UHFFFAOYSA-N 1 2 243.257 1.553 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000685561060 487543265 /nfs/dbraw/zinc/54/32/65/487543265.db2.gz FSTLGVHYIUTHIJ-SNVBAGLBSA-N 1 2 237.303 1.131 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000685561060 487543269 /nfs/dbraw/zinc/54/32/69/487543269.db2.gz FSTLGVHYIUTHIJ-SNVBAGLBSA-N 1 2 237.303 1.131 20 0 BDADLO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000685565324 487546483 /nfs/dbraw/zinc/54/64/83/487546483.db2.gz GCYUVJJTJWUVNW-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO CCO[C@@H]1CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000685565324 487546487 /nfs/dbraw/zinc/54/64/87/487546487.db2.gz GCYUVJJTJWUVNW-MWLCHTKSSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)no1 ZINC000680254453 487553376 /nfs/dbraw/zinc/55/33/76/487553376.db2.gz VTAUBVMYEFYBFF-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO Cc1c[nH+]cc(NCc2cncnc2)c1 ZINC000119575999 487556733 /nfs/dbraw/zinc/55/67/33/487556733.db2.gz SMHQUMWLUJHPIM-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1sccc1C(=O)NCc1c[nH+]cn1C ZINC000296047262 487533744 /nfs/dbraw/zinc/53/37/44/487533744.db2.gz NMKBYIBIHDTHGQ-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000339590851 487470795 /nfs/dbraw/zinc/47/07/95/487470795.db2.gz TYPKDNDCMFBIAT-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1cccc(C[N@H+]2CCO[C@@H](C)C2)n1 ZINC000339590851 487470797 /nfs/dbraw/zinc/47/07/97/487470797.db2.gz TYPKDNDCMFBIAT-NSHDSACASA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(N[C@@H](C)Cn2cncn2)[nH+]c1 ZINC000672197655 487472942 /nfs/dbraw/zinc/47/29/42/487472942.db2.gz LAURMJYSVHYJCB-VIFPVBQESA-N 1 2 233.275 1.182 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CC1(C)COC1)CC2 ZINC000679869892 487477935 /nfs/dbraw/zinc/47/79/35/487477935.db2.gz LBODBIMHAHTNAX-UHFFFAOYSA-N 1 2 221.304 1.044 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CC1(C)COC1)CC2 ZINC000679869892 487477938 /nfs/dbraw/zinc/47/79/38/487477938.db2.gz LBODBIMHAHTNAX-UHFFFAOYSA-N 1 2 221.304 1.044 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1cnc(C)nc1)CC2 ZINC000679871912 487479356 /nfs/dbraw/zinc/47/93/56/487479356.db2.gz PDEFOZWYTFQUKO-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1cnc(C)nc1)CC2 ZINC000679871912 487479359 /nfs/dbraw/zinc/47/93/59/487479359.db2.gz PDEFOZWYTFQUKO-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO CCc1cc(N[C@H]2CCCN(C)C2=O)nc[nH+]1 ZINC000673933464 487484247 /nfs/dbraw/zinc/48/42/47/487484247.db2.gz UJDDMZAWNQBVRE-JTQLQIEISA-N 1 2 234.303 1.072 20 0 BDADLO Cc1noc(NC(=O)CCCn2cc[nH+]c2)c1C ZINC000673939537 487485972 /nfs/dbraw/zinc/48/59/72/487485972.db2.gz COEJCRMGOWBHOC-UHFFFAOYSA-N 1 2 248.286 1.907 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C(F)(F)F)CC1 ZINC000673945188 487488439 /nfs/dbraw/zinc/48/84/39/487488439.db2.gz RYCYDZQMRMKGIZ-UHFFFAOYSA-N 1 2 247.220 1.677 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000672152526 487489954 /nfs/dbraw/zinc/48/99/54/487489954.db2.gz JLVRUSLWQYPMGK-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000685043901 487495919 /nfs/dbraw/zinc/49/59/19/487495919.db2.gz QFGWNGHHALNHFX-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000685043901 487495922 /nfs/dbraw/zinc/49/59/22/487495922.db2.gz QFGWNGHHALNHFX-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO CO[C@@H]1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000679934319 487496979 /nfs/dbraw/zinc/49/69/79/487496979.db2.gz SRPVIYSBFOJFJV-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO OCCC1C[NH+](Cc2ccc(F)c(F)c2F)C1 ZINC000668231928 487498339 /nfs/dbraw/zinc/49/83/39/487498339.db2.gz TVLZMWGVVCMXNH-UHFFFAOYSA-N 1 2 245.244 1.918 20 0 BDADLO C[C@@H](C(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC000674081108 487506183 /nfs/dbraw/zinc/50/61/83/487506183.db2.gz TZYBATZKJCFHQY-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H](C(=O)NCc1[nH+]ccn1C)C1CCCC1 ZINC000674106166 487521213 /nfs/dbraw/zinc/52/12/13/487521213.db2.gz UHRZJIQVNVRIGD-SNVBAGLBSA-N 1 2 235.331 1.863 20 0 BDADLO CCc1nnc(C[NH+]2CCC(CO)CC2)s1 ZINC000680045101 487526249 /nfs/dbraw/zinc/52/62/49/487526249.db2.gz BYNAFURFYNJINV-UHFFFAOYSA-N 1 2 241.360 1.305 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@H](OC)C2)s1 ZINC000680050720 487527174 /nfs/dbraw/zinc/52/71/74/487527174.db2.gz FBRLEGFJHBNHBZ-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@H](OC)C2)s1 ZINC000680050720 487527178 /nfs/dbraw/zinc/52/71/78/487527178.db2.gz FBRLEGFJHBNHBZ-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO Cc1nnc(CN(C)Cc2[nH]cc[nH+]2)s1 ZINC000670983064 487534306 /nfs/dbraw/zinc/53/43/06/487534306.db2.gz BFSODDNGAYXFAT-UHFFFAOYSA-N 1 2 223.305 1.202 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000184147999 487723318 /nfs/dbraw/zinc/72/33/18/487723318.db2.gz XQOGZMOHUPNAQQ-UHFFFAOYSA-N 1 2 240.278 1.051 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000184147999 487723324 /nfs/dbraw/zinc/72/33/24/487723324.db2.gz XQOGZMOHUPNAQQ-UHFFFAOYSA-N 1 2 240.278 1.051 20 0 BDADLO Cc1ccc(NC[C@H]2CNc3ccnn3C2)c[nH+]1 ZINC000676239045 487827031 /nfs/dbraw/zinc/82/70/31/487827031.db2.gz CBSWHTIKVHEBLK-NSHDSACASA-N 1 2 243.314 1.740 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)CC(F)(F)C2 ZINC000676704601 487896162 /nfs/dbraw/zinc/89/61/62/487896162.db2.gz BBKFIILYDDARSH-UHFFFAOYSA-N 1 2 241.241 1.141 20 0 BDADLO Cn1c(=O)[nH]c2ccc(NCc3[nH]cc[nH+]3)cc21 ZINC000669621789 487943812 /nfs/dbraw/zinc/94/38/12/487943812.db2.gz OPZQCJLEHDICFB-UHFFFAOYSA-N 1 2 243.270 1.614 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668637605 488036811 /nfs/dbraw/zinc/03/68/11/488036811.db2.gz PVGKOSVLBHNGJK-IAZYJMLFSA-N 1 2 243.266 1.165 20 0 BDADLO CCC[N@@H+]1CC[C@@H](Nc2nc(CC)ns2)C1 ZINC000389320046 488088620 /nfs/dbraw/zinc/08/86/20/488088620.db2.gz GIOYQLJUKVMSST-SECBINFHSA-N 1 2 240.376 1.419 20 0 BDADLO CCC[N@H+]1CC[C@@H](Nc2nc(CC)ns2)C1 ZINC000389320046 488088621 /nfs/dbraw/zinc/08/86/21/488088621.db2.gz GIOYQLJUKVMSST-SECBINFHSA-N 1 2 240.376 1.419 20 0 BDADLO NC(=O)c1cccc(CNc2cc[nH+]cc2F)c1 ZINC000683069238 488105539 /nfs/dbraw/zinc/10/55/39/488105539.db2.gz HKHPSUJGUNINRM-UHFFFAOYSA-N 1 2 245.257 1.354 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CC1(C)CC1)CC2 ZINC000683252409 488138720 /nfs/dbraw/zinc/13/87/20/488138720.db2.gz LEWGFJUDMIPFIK-UHFFFAOYSA-N 1 2 233.315 1.724 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCC[C@@H]1C ZINC000230720939 488141459 /nfs/dbraw/zinc/14/14/59/488141459.db2.gz PVDOQWXMIAXILT-IUCAKERBSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCC[C@@H]1C ZINC000230720939 488141463 /nfs/dbraw/zinc/14/14/63/488141463.db2.gz PVDOQWXMIAXILT-IUCAKERBSA-N 1 2 236.319 1.916 20 0 BDADLO COc1c(N)[nH+]cnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000160583150 488145315 /nfs/dbraw/zinc/14/53/15/488145315.db2.gz CAHIQIDIKLBNEH-RKDXNWHRSA-N 1 2 234.303 1.304 20 0 BDADLO COc1c(N)nc[nH+]c1N1C[C@H]2CCC[C@@H]2C1 ZINC000160583150 488145317 /nfs/dbraw/zinc/14/53/17/488145317.db2.gz CAHIQIDIKLBNEH-RKDXNWHRSA-N 1 2 234.303 1.304 20 0 BDADLO C1=CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000683394292 488156845 /nfs/dbraw/zinc/15/68/45/488156845.db2.gz ZNZKUZCRTDKNPX-UHFFFAOYSA-N 1 2 246.314 1.080 20 0 BDADLO C1=CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000683394292 488156849 /nfs/dbraw/zinc/15/68/49/488156849.db2.gz ZNZKUZCRTDKNPX-UHFFFAOYSA-N 1 2 246.314 1.080 20 0 BDADLO CCc1cc(N[C@@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000683395381 488157149 /nfs/dbraw/zinc/15/71/49/488157149.db2.gz FFBIYSZXOQJMQX-SNVBAGLBSA-N 1 2 234.303 1.072 20 0 BDADLO CCc1cc(N[C@H]2CCN(C)C(=O)C2)nc[nH+]1 ZINC000683395380 488157207 /nfs/dbraw/zinc/15/72/07/488157207.db2.gz FFBIYSZXOQJMQX-JTQLQIEISA-N 1 2 234.303 1.072 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCN(C)C1=O ZINC000294716901 488157968 /nfs/dbraw/zinc/15/79/68/488157968.db2.gz UUKJVYOGLXCGNJ-JTQLQIEISA-N 1 2 247.298 1.197 20 0 BDADLO CCC[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000683456244 488165262 /nfs/dbraw/zinc/16/52/62/488165262.db2.gz GFKQFPNNUYRJRZ-SSDOTTSWSA-N 1 2 234.307 1.546 20 0 BDADLO CN(Cc1c[nH+]c2n1CCC2)Cc1ccncc1 ZINC000667976635 488172820 /nfs/dbraw/zinc/17/28/20/488172820.db2.gz YCEPRTMMSBIRGJ-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CN(Cc1c[nH+]c2n1CCC2)Cc1ccccn1 ZINC000667977963 488173570 /nfs/dbraw/zinc/17/35/70/488173570.db2.gz PBCADXJIFXXFGY-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1cnc(C)o1 ZINC000398001057 488180466 /nfs/dbraw/zinc/18/04/66/488180466.db2.gz VJXQBSAVDXVOOD-UHFFFAOYSA-N 1 2 234.303 1.879 20 0 BDADLO Nc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085541357 488181365 /nfs/dbraw/zinc/18/13/65/488181365.db2.gz MNCVQTFGIGQHNE-PHIMTYICSA-N 1 2 219.288 1.027 20 0 BDADLO Nc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085541357 488181369 /nfs/dbraw/zinc/18/13/69/488181369.db2.gz MNCVQTFGIGQHNE-PHIMTYICSA-N 1 2 219.288 1.027 20 0 BDADLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)c1ccccn1 ZINC000670417060 488181570 /nfs/dbraw/zinc/18/15/70/488181570.db2.gz VMNYJVORLSCWQU-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000668007064 488182915 /nfs/dbraw/zinc/18/29/15/488182915.db2.gz LJCFEXWIMSLPBR-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000668007064 488182920 /nfs/dbraw/zinc/18/29/20/488182920.db2.gz LJCFEXWIMSLPBR-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000668029709 488190450 /nfs/dbraw/zinc/19/04/50/488190450.db2.gz OMSBBFUOFAYHJV-NEPJUHHUSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1cc(NC(=O)N[C@H](CO)CC2CC2)cc[nH+]1 ZINC000678094667 488196784 /nfs/dbraw/zinc/19/67/84/488196784.db2.gz GTIOLPCLQDPBRN-LBPRGKRZSA-N 1 2 249.314 1.094 20 0 BDADLO Cc1cc(NC(=O)N2CCCOC[C@H]2C)cc[nH+]1 ZINC000678096295 488197256 /nfs/dbraw/zinc/19/72/56/488197256.db2.gz KOXIMJCCAXTGRV-LLVKDONJSA-N 1 2 249.314 1.455 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C(C)(C)O ZINC000678096353 488197512 /nfs/dbraw/zinc/19/75/12/488197512.db2.gz ZNDFHJPQPGAHDB-SECBINFHSA-N 1 2 237.303 1.093 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)CCO)c(C)c[nH+]1 ZINC000678097352 488197579 /nfs/dbraw/zinc/19/75/79/488197579.db2.gz AZCVAEFUVGIDEE-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668086910 488200259 /nfs/dbraw/zinc/20/02/59/488200259.db2.gz VVNDAWNIHZKLPR-MNOVXSKESA-N 1 2 247.342 1.916 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668086910 488200263 /nfs/dbraw/zinc/20/02/63/488200263.db2.gz VVNDAWNIHZKLPR-MNOVXSKESA-N 1 2 247.342 1.916 20 0 BDADLO O=C(CCCF)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000668089555 488201102 /nfs/dbraw/zinc/20/11/02/488201102.db2.gz XGYIUFRCSHDBOH-SNVBAGLBSA-N 1 2 239.294 1.865 20 0 BDADLO C=Cn1cc(C[NH2+]Cc2cc(CC)no2)cn1 ZINC000683704168 488210546 /nfs/dbraw/zinc/21/05/46/488210546.db2.gz VQBOMGGZKCURSA-UHFFFAOYSA-N 1 2 232.287 1.824 20 0 BDADLO CN(CCO)c1ccc(NCC2(C)CC2)[nH+]c1 ZINC000683750793 488215953 /nfs/dbraw/zinc/21/59/53/488215953.db2.gz GORDRKKYTNDTTF-UHFFFAOYSA-N 1 2 235.331 1.722 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC000683781145 488220227 /nfs/dbraw/zinc/22/02/27/488220227.db2.gz ANSUVQCHOBNAOS-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC000683781145 488220231 /nfs/dbraw/zinc/22/02/31/488220231.db2.gz ANSUVQCHOBNAOS-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO COCC[N@@H+](Cc1cn[nH]c1)Cc1ccc(C)o1 ZINC000678281228 488236136 /nfs/dbraw/zinc/23/61/36/488236136.db2.gz MLZUDBHSMWZEHD-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO COCC[N@H+](Cc1cn[nH]c1)Cc1ccc(C)o1 ZINC000678281228 488236138 /nfs/dbraw/zinc/23/61/38/488236138.db2.gz MLZUDBHSMWZEHD-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000683888517 488236887 /nfs/dbraw/zinc/23/68/87/488236887.db2.gz VKDPCKILDJQZLE-PTEHBNRSSA-N 1 2 233.315 1.578 20 0 BDADLO COCCN(Cc1cn(C)c[nH+]1)Cc1ccco1 ZINC000683898195 488240345 /nfs/dbraw/zinc/24/03/45/488240345.db2.gz GSIVBWMNMLRTGJ-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)Cc2cnccn2)o1 ZINC000683899172 488240888 /nfs/dbraw/zinc/24/08/88/488240888.db2.gz VTLNMYWMRSEDPN-UHFFFAOYSA-N 1 2 232.287 1.713 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)Cc2cnccn2)o1 ZINC000683899172 488240891 /nfs/dbraw/zinc/24/08/91/488240891.db2.gz VTLNMYWMRSEDPN-UHFFFAOYSA-N 1 2 232.287 1.713 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149208 488241834 /nfs/dbraw/zinc/24/18/34/488241834.db2.gz IWJGEMQNVDXSDE-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC12CCC2 ZINC000672157512 488242784 /nfs/dbraw/zinc/24/27/84/488242784.db2.gz DKUDZMNWIDRKGN-ZYHUDNBSSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCc2cnccn2)n1 ZINC000678466503 488257920 /nfs/dbraw/zinc/25/79/20/488257920.db2.gz BJZOHKGQAZEKMB-VIFPVBQESA-N 1 2 247.302 1.404 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCc2cnccn2)n1 ZINC000678466503 488257921 /nfs/dbraw/zinc/25/79/21/488257921.db2.gz BJZOHKGQAZEKMB-VIFPVBQESA-N 1 2 247.302 1.404 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000673093583 488276680 /nfs/dbraw/zinc/27/66/80/488276680.db2.gz GXOWYVDPCMPKPN-ZYHUDNBSSA-N 1 2 233.315 1.364 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CC[C@@H](c3ccco3)C2)[nH]1 ZINC000678716776 488277605 /nfs/dbraw/zinc/27/76/05/488277605.db2.gz NKOWGCFCBLRFBP-MRVPVSSYSA-N 1 2 234.259 1.093 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CC[C@@H](c3ccco3)C2)[nH]1 ZINC000678716776 488277607 /nfs/dbraw/zinc/27/76/07/488277607.db2.gz NKOWGCFCBLRFBP-MRVPVSSYSA-N 1 2 234.259 1.093 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)c2ccon2)[nH+]1 ZINC000678786363 488282770 /nfs/dbraw/zinc/28/27/70/488282770.db2.gz JEARMBAIEOKGSZ-ZETCQYMHSA-N 1 2 248.290 1.407 20 0 BDADLO Cc1nc(N[C@@H](C)c2ccon2)nc(N(C)C)[nH+]1 ZINC000678786363 488282773 /nfs/dbraw/zinc/28/27/73/488282773.db2.gz JEARMBAIEOKGSZ-ZETCQYMHSA-N 1 2 248.290 1.407 20 0 BDADLO O=C(C1CC1)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000678788648 488283357 /nfs/dbraw/zinc/28/33/57/488283357.db2.gz LZOQGLBOSAXHIG-UHFFFAOYSA-N 1 2 249.289 1.279 20 0 BDADLO C[C@H](CF)NC(=O)CCCn1cc[nH+]c1 ZINC000673389676 488283870 /nfs/dbraw/zinc/28/38/70/488283870.db2.gz QCKBKYWYDFPHBQ-SECBINFHSA-N 1 2 213.256 1.138 20 0 BDADLO CCc1nn(C)cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000678830775 488288934 /nfs/dbraw/zinc/28/89/34/488288934.db2.gz XNPNWCKGLLVBIQ-UHFFFAOYSA-N 1 2 233.319 1.338 20 0 BDADLO CCc1nn(C)cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000678830775 488288937 /nfs/dbraw/zinc/28/89/37/488288937.db2.gz XNPNWCKGLLVBIQ-UHFFFAOYSA-N 1 2 233.319 1.338 20 0 BDADLO NC(=O)C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000673491083 488289851 /nfs/dbraw/zinc/28/98/51/488289851.db2.gz LKHAJFQKJPRTSG-VIFPVBQESA-N 1 2 246.314 1.056 20 0 BDADLO CC1(F)CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000684325492 488290920 /nfs/dbraw/zinc/29/09/20/488290920.db2.gz NWYWRQQNPJPCHU-UHFFFAOYSA-N 1 2 247.273 1.447 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)CCCn1cc[nH+]c1 ZINC000678879518 488292775 /nfs/dbraw/zinc/29/27/75/488292775.db2.gz VTMXILOSHJQDSI-GFCCVEGCSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000684333957 488294491 /nfs/dbraw/zinc/29/44/91/488294491.db2.gz KUVMGSCXUIDCTP-OUAUKWLOSA-N 1 2 233.315 1.455 20 0 BDADLO CC[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000678897019 488294546 /nfs/dbraw/zinc/29/45/46/488294546.db2.gz RCGUHEYXZOXOKQ-JTQLQIEISA-N 1 2 238.335 1.959 20 0 BDADLO FC1(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000684362225 488301149 /nfs/dbraw/zinc/30/11/49/488301149.db2.gz MYZVSAMTAZBYGY-MNOVXSKESA-N 1 2 229.295 1.368 20 0 BDADLO FC1(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000684362225 488301152 /nfs/dbraw/zinc/30/11/52/488301152.db2.gz MYZVSAMTAZBYGY-MNOVXSKESA-N 1 2 229.295 1.368 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCn2cnnc2C1 ZINC000673754731 488306742 /nfs/dbraw/zinc/30/67/42/488306742.db2.gz FYPKCANSJRCTPV-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCn2cnnc2C1 ZINC000673754731 488306745 /nfs/dbraw/zinc/30/67/45/488306745.db2.gz FYPKCANSJRCTPV-SNVBAGLBSA-N 1 2 229.287 1.250 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC=CCC2)o1 ZINC000679323410 488336959 /nfs/dbraw/zinc/33/69/59/488336959.db2.gz OWROTWIKJUIEEI-VIFPVBQESA-N 1 2 207.277 1.955 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC=CCC2)o1 ZINC000679323410 488336960 /nfs/dbraw/zinc/33/69/60/488336960.db2.gz OWROTWIKJUIEEI-VIFPVBQESA-N 1 2 207.277 1.955 20 0 BDADLO O=C(CCC(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000684443311 488313676 /nfs/dbraw/zinc/31/36/76/488313676.db2.gz ICQVSMZCIXIFFK-UHFFFAOYSA-N 1 2 229.230 1.312 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000684446080 488314141 /nfs/dbraw/zinc/31/41/41/488314141.db2.gz GYUOAQQTKQKZAW-IUCAKERBSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000684446080 488314143 /nfs/dbraw/zinc/31/41/43/488314143.db2.gz GYUOAQQTKQKZAW-IUCAKERBSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@@H]1F ZINC000679190156 488315665 /nfs/dbraw/zinc/31/56/65/488315665.db2.gz JMFVWNLIQUTGIG-SCZZXKLOSA-N 1 2 249.293 1.548 20 0 BDADLO C[C@@H]1CCN(Cc2[nH+]ccn2C)C[C@@H]1F ZINC000679217901 488318130 /nfs/dbraw/zinc/31/81/30/488318130.db2.gz KWIIEECEPUUJSZ-ZJUUUORDSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1F ZINC000679220075 488318842 /nfs/dbraw/zinc/31/88/42/488318842.db2.gz DTPNELSILZXSTR-WDEREUQCSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1F ZINC000679220075 488318844 /nfs/dbraw/zinc/31/88/44/488318844.db2.gz DTPNELSILZXSTR-WDEREUQCSA-N 1 2 228.311 1.289 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@@H]1F ZINC000679225889 488321972 /nfs/dbraw/zinc/32/19/72/488321972.db2.gz YTBYHQZMAFDFGS-JQWIXIFHSA-N 1 2 242.338 1.725 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@@H]1F ZINC000679225889 488321973 /nfs/dbraw/zinc/32/19/73/488321973.db2.gz YTBYHQZMAFDFGS-JQWIXIFHSA-N 1 2 242.338 1.725 20 0 BDADLO C[N@H+](CCOCC1CCC1)Cc1cnc[nH]1 ZINC000684619844 488333964 /nfs/dbraw/zinc/33/39/64/488333964.db2.gz RGESDZNYBFTEEO-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO C[N@@H+](CCOCC1CCC1)Cc1cnc[nH]1 ZINC000684619844 488333965 /nfs/dbraw/zinc/33/39/65/488333965.db2.gz RGESDZNYBFTEEO-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO C[N@H+](CCOCC1CCC1)Cc1c[nH]cn1 ZINC000684619844 488333967 /nfs/dbraw/zinc/33/39/67/488333967.db2.gz RGESDZNYBFTEEO-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO C[N@@H+](CCOCC1CCC1)Cc1c[nH]cn1 ZINC000684619844 488333969 /nfs/dbraw/zinc/33/39/69/488333969.db2.gz RGESDZNYBFTEEO-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2c[nH]nc2C)[nH]1 ZINC000679360704 488346699 /nfs/dbraw/zinc/34/66/99/488346699.db2.gz QAAZPZZYBYCTPJ-APPZFPTMSA-N 1 2 248.334 1.810 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc[nH]1 ZINC000684853131 488349452 /nfs/dbraw/zinc/34/94/52/488349452.db2.gz GCUZOVZZGWPXSJ-UHFFFAOYSA-N 1 2 226.239 1.915 20 0 BDADLO CCc1cc(N2CCC[C@@H]2C(=O)NC)nc(C)[nH+]1 ZINC000679837689 488367675 /nfs/dbraw/zinc/36/76/75/488367675.db2.gz ZCCJOAQGUDPNOV-LLVKDONJSA-N 1 2 248.330 1.062 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC1(C)CC=CC1 ZINC000655222725 490048270 /nfs/dbraw/zinc/04/82/70/490048270.db2.gz GWUXEKGUARQMKG-UHFFFAOYSA-N 1 2 219.288 1.188 20 0 BDADLO C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651415407 490090935 /nfs/dbraw/zinc/09/09/35/490090935.db2.gz DFXWAUWRBDBHLS-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(F)F ZINC000378857860 490152401 /nfs/dbraw/zinc/15/24/01/490152401.db2.gz LYQATJTUMYTNIF-PSASIEDQSA-N 1 2 218.291 1.714 20 0 BDADLO CCN1CC[C@H]([NH2+][C@H](C)c2cscn2)C1=O ZINC000309654005 490171941 /nfs/dbraw/zinc/17/19/41/490171941.db2.gz PBLXNFOKPVNOAV-BDAKNGLRSA-N 1 2 239.344 1.415 20 0 BDADLO CCN1CC[C@@H]([NH2+][C@@H](C)c2cscn2)C1=O ZINC000309654006 490172096 /nfs/dbraw/zinc/17/20/96/490172096.db2.gz PBLXNFOKPVNOAV-DTWKUNHWSA-N 1 2 239.344 1.415 20 0 BDADLO O=C(C[N@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000050150374 490196431 /nfs/dbraw/zinc/19/64/31/490196431.db2.gz MDNNXXDQXBQKJX-JTQLQIEISA-N 1 2 237.274 1.465 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000050150374 490196436 /nfs/dbraw/zinc/19/64/36/490196436.db2.gz MDNNXXDQXBQKJX-JTQLQIEISA-N 1 2 237.274 1.465 20 0 BDADLO Cc1cnccc1C[NH+]1CCN(C2CC2)CC1 ZINC000294595923 490313655 /nfs/dbraw/zinc/31/36/55/490313655.db2.gz STHAUDSGNSBNKQ-UHFFFAOYSA-N 1 2 231.343 1.670 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000130824813 490454955 /nfs/dbraw/zinc/45/49/55/490454955.db2.gz LNVNYPGVVKSDHR-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC000126097213 490483241 /nfs/dbraw/zinc/48/32/41/490483241.db2.gz CZWNTXPWQAEQMZ-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO COc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000074727151 490500301 /nfs/dbraw/zinc/50/03/01/490500301.db2.gz CFKUECCCKSEASV-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO COc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000074727151 490500309 /nfs/dbraw/zinc/50/03/09/490500309.db2.gz CFKUECCCKSEASV-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1nccs1 ZINC000074727251 490502415 /nfs/dbraw/zinc/50/24/15/490502415.db2.gz WSKZDWLKHDKVCJ-UHFFFAOYSA-N 1 2 222.273 1.438 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1nccs1 ZINC000074727251 490502421 /nfs/dbraw/zinc/50/24/21/490502421.db2.gz WSKZDWLKHDKVCJ-UHFFFAOYSA-N 1 2 222.273 1.438 20 0 BDADLO Cc1cc(F)ccc1C[N@@H+]1CCOC[C@H]1CO ZINC000128233272 490574884 /nfs/dbraw/zinc/57/48/84/490574884.db2.gz PVGDRYRZKSIYTH-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cc(F)ccc1C[N@H+]1CCOC[C@H]1CO ZINC000128233272 490574887 /nfs/dbraw/zinc/57/48/87/490574887.db2.gz PVGDRYRZKSIYTH-CYBMUJFWSA-N 1 2 239.290 1.327 20 0 BDADLO FC1(F)CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000306274787 490631628 /nfs/dbraw/zinc/63/16/28/490631628.db2.gz BDGFIBHTHVJVCN-ZETCQYMHSA-N 1 2 201.220 1.687 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc(C)o2)cc1O ZINC000227083876 491054722 /nfs/dbraw/zinc/05/47/22/491054722.db2.gz YJQIEVGFRMKINX-UHFFFAOYSA-N 1 2 248.282 1.987 20 0 BDADLO OCC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000085689163 491052244 /nfs/dbraw/zinc/05/22/44/491052244.db2.gz FVQACQCRBHIMQV-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CCCOC1 ZINC000493663459 491075320 /nfs/dbraw/zinc/07/53/20/491075320.db2.gz QELQSIDDHHEONQ-ISALQUGTSA-N 1 2 249.314 1.211 20 0 BDADLO CN(C)c1ccc(NCC2=CCCOC2)c[nH+]1 ZINC000162958024 491079734 /nfs/dbraw/zinc/07/97/34/491079734.db2.gz NJVLEFCOYOKNJH-UHFFFAOYSA-N 1 2 233.315 1.906 20 0 BDADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)cs1 ZINC000671793644 491107221 /nfs/dbraw/zinc/10/72/21/491107221.db2.gz NWSNREISOVKTKT-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665869699 491109296 /nfs/dbraw/zinc/10/92/96/491109296.db2.gz KNMRLAAAZYKJHD-KOLCDFICSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665869699 491109299 /nfs/dbraw/zinc/10/92/99/491109299.db2.gz KNMRLAAAZYKJHD-KOLCDFICSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000295717071 491119649 /nfs/dbraw/zinc/11/96/49/491119649.db2.gz NHKKPOWDQCGBLH-OVYXKVPISA-N 1 2 209.293 1.374 20 0 BDADLO CCn1c[nH+]cc1CN1CCc2nccnc2C1 ZINC000668735002 491132945 /nfs/dbraw/zinc/13/29/45/491132945.db2.gz VXRLRGNZHPNPOB-UHFFFAOYSA-N 1 2 243.314 1.251 20 0 BDADLO CCc1cc(NCc2ncoc2C)nc[nH+]1 ZINC000309522767 491149909 /nfs/dbraw/zinc/14/99/09/491149909.db2.gz ASNLJRWSJZPXTO-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CCc1ccc(C[NH2+]Cc2cn(C)nn2)o1 ZINC000309667369 491154200 /nfs/dbraw/zinc/15/42/00/491154200.db2.gz UTUVVHLCIJNNDN-UHFFFAOYSA-N 1 2 220.276 1.260 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000488508175 533730340 /nfs/dbraw/zinc/73/03/40/533730340.db2.gz ACVBCYCJFFSSOJ-VXGBXAGGSA-N 1 2 247.342 1.986 20 0 BDADLO C[C@@H]1C[C@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493293389 533809847 /nfs/dbraw/zinc/80/98/47/533809847.db2.gz URORRGDDBWLLHT-OKWQPMOJSA-N 1 2 219.288 1.680 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)NC/C=C\Cl ZINC000891197046 582623273 /nfs/dbraw/zinc/62/32/73/582623273.db2.gz GJXSSSHYOJRVPM-UTCJRWHESA-N 1 2 239.706 1.914 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000891202795 582628108 /nfs/dbraw/zinc/62/81/08/582628108.db2.gz VHFCBRMPEJMMIF-MAYCQVCUSA-N 1 2 239.706 1.314 20 0 BDADLO C[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C(F)(F)F ZINC000493707223 533872829 /nfs/dbraw/zinc/87/28/29/533872829.db2.gz ODJMBTFLUXMEBL-AIYRYJHASA-N 1 2 247.220 1.738 20 0 BDADLO C[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493550145 533912160 /nfs/dbraw/zinc/91/21/60/533912160.db2.gz HIPVAVBTBPQNNA-YHROSDCASA-N 1 2 233.315 1.927 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CNC(=O)O3)s1 ZINC000496485431 533914732 /nfs/dbraw/zinc/91/47/32/533914732.db2.gz GEGUDUJYNXMBBD-UHFFFAOYSA-N 1 2 238.312 1.351 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000891543581 582695922 /nfs/dbraw/zinc/69/59/22/582695922.db2.gz SMOADWQQZCTGBC-JTQLQIEISA-N 1 2 224.279 1.750 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCO[C@@H](C)C1 ZINC000891543581 582695924 /nfs/dbraw/zinc/69/59/24/582695924.db2.gz SMOADWQQZCTGBC-JTQLQIEISA-N 1 2 224.279 1.750 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335934497 535820297 /nfs/dbraw/zinc/82/02/97/535820297.db2.gz BCSBKBCIEGZKEU-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@]1(O)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492866546 534184064 /nfs/dbraw/zinc/18/40/64/534184064.db2.gz QGTBPCQIDPKCQU-SCOBNMCVSA-N 1 2 249.314 1.186 20 0 BDADLO COCCCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000891848990 582729868 /nfs/dbraw/zinc/72/98/68/582729868.db2.gz BKQKJFYKRDZFAO-SNVBAGLBSA-N 1 2 224.304 1.973 20 0 BDADLO CC(C)CCCNC(=O)NCc1cn(C)c[nH+]1 ZINC000891877822 582734208 /nfs/dbraw/zinc/73/42/08/582734208.db2.gz PFMUGDOSMQIUAA-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO COc1nccc(C[N@H+](C)[C@@H]2CCOC2)c1F ZINC000891936637 582740418 /nfs/dbraw/zinc/74/04/18/582740418.db2.gz ZZEYXBKIROTLDG-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO COc1nccc(C[N@@H+](C)[C@@H]2CCOC2)c1F ZINC000891936637 582740420 /nfs/dbraw/zinc/74/04/20/582740420.db2.gz ZZEYXBKIROTLDG-SNVBAGLBSA-N 1 2 240.278 1.450 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)no1 ZINC000407949795 536137808 /nfs/dbraw/zinc/13/78/08/536137808.db2.gz OMKIYTOSEYYSLV-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](OC)C[C@H]2C)no1 ZINC000407949795 536137810 /nfs/dbraw/zinc/13/78/10/536137810.db2.gz OMKIYTOSEYYSLV-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO Cc1cc(Br)cc(N2CC(O)C2)[nH+]1 ZINC000892288486 582828442 /nfs/dbraw/zinc/82/84/42/582828442.db2.gz QEXOBLVYGVGCTC-UHFFFAOYSA-N 1 2 243.104 1.333 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc[nH]1 ZINC000493447859 534718940 /nfs/dbraw/zinc/71/89/40/534718940.db2.gz HHALQGKHSYWHKB-SNAWJCMRSA-N 1 2 230.271 1.376 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)OCC1CC1 ZINC000495847842 534779387 /nfs/dbraw/zinc/77/93/87/534779387.db2.gz HKBMOUWISNQXQW-SNVBAGLBSA-N 1 2 235.287 1.334 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000493328383 534786495 /nfs/dbraw/zinc/78/64/95/534786495.db2.gz VREIACGCDVCGLX-OIDVMBJGSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H]1CF ZINC000493291202 534787389 /nfs/dbraw/zinc/78/73/89/534787389.db2.gz MEWHXFMFIOXFQZ-NWALNABHSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC12CCC2 ZINC000492858740 534800655 /nfs/dbraw/zinc/80/06/55/534800655.db2.gz FZSUYHJFAGGIFH-ARJAWSKDSA-N 1 2 231.299 1.968 20 0 BDADLO C[C@H](O)c1cccc(NCCC[S@](C)=O)[nH+]1 ZINC000892449819 582889371 /nfs/dbraw/zinc/88/93/71/582889371.db2.gz ZURUZIPZGNJUGJ-FVMDXXJSSA-N 1 2 242.344 1.315 20 0 BDADLO CC(C)c1nc(N(C)CC[C@H](C)O)cc[nH+]1 ZINC000172774070 534904812 /nfs/dbraw/zinc/90/48/12/534904812.db2.gz DRQBASUMRQMGOY-JTQLQIEISA-N 1 2 223.320 1.807 20 0 BDADLO CC(C)c1nc(N2CCc3n[nH]cc3C2)cc[nH+]1 ZINC000301257296 534909630 /nfs/dbraw/zinc/90/96/30/534909630.db2.gz RFGDYRQMJDWQIH-UHFFFAOYSA-N 1 2 243.314 1.886 20 0 BDADLO CC(C)c1nc(N2CCn3ncnc3C2)cc[nH+]1 ZINC000329992990 534910238 /nfs/dbraw/zinc/91/02/38/534910238.db2.gz YBTYVGGRDCXMLL-UHFFFAOYSA-N 1 2 244.302 1.212 20 0 BDADLO CC(C)(NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492891953 527264539 /nfs/dbraw/zinc/26/45/39/527264539.db2.gz DIXSIPXDLIXADW-WAYWQWQTSA-N 1 2 219.288 1.728 20 0 BDADLO CC(C)(C)/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492661392 527550800 /nfs/dbraw/zinc/55/08/00/527550800.db2.gz GXUHJOJPOSIBND-MALLOTDXSA-N 1 2 247.342 1.916 20 0 BDADLO CC(C)C1(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493479386 527616760 /nfs/dbraw/zinc/61/67/60/527616760.db2.gz IYZUBUCIGDACRO-ONEGZZNKSA-N 1 2 219.288 1.728 20 0 BDADLO CC(C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493610555 527728903 /nfs/dbraw/zinc/72/89/03/527728903.db2.gz AJXQRWRCCNIKDJ-ONEGZZNKSA-N 1 2 207.277 1.585 20 0 BDADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000492904067 527770596 /nfs/dbraw/zinc/77/05/96/527770596.db2.gz VQJBJBSXPIDRLY-ARJAWSKDSA-N 1 2 249.314 1.498 20 0 BDADLO CCC[C@@H]1C[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493304587 527818144 /nfs/dbraw/zinc/81/81/44/527818144.db2.gz OUUTUSQZRPRSPN-IPFDCLDFSA-N 1 2 219.288 1.728 20 0 BDADLO CC1(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492861146 527921612 /nfs/dbraw/zinc/92/16/12/527921612.db2.gz JEMVWSUQZUEDRO-IHWYPQMZSA-N 1 2 219.288 1.729 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C\c1ccncc1 ZINC000494968114 527955486 /nfs/dbraw/zinc/95/54/86/527955486.db2.gz BYPILVFNGGWNCW-FJOGCWAESA-N 1 2 248.326 1.978 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C\c1ccncc1 ZINC000494968114 527955491 /nfs/dbraw/zinc/95/54/91/527955491.db2.gz BYPILVFNGGWNCW-FJOGCWAESA-N 1 2 248.326 1.978 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308363888 527964354 /nfs/dbraw/zinc/96/43/54/527964354.db2.gz JJOFBBRDXZCLQR-DCAQKATOSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)COC(=O)N1CCC[N@H+](CCF)CC1 ZINC000493975201 528071332 /nfs/dbraw/zinc/07/13/32/528071332.db2.gz PYOSSGCWHOLICX-UHFFFAOYSA-N 1 2 246.326 1.756 20 0 BDADLO CC(C)COC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000493975201 528071337 /nfs/dbraw/zinc/07/13/37/528071337.db2.gz PYOSSGCWHOLICX-UHFFFAOYSA-N 1 2 246.326 1.756 20 0 BDADLO CC1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492859982 528157773 /nfs/dbraw/zinc/15/77/73/528157773.db2.gz HHNKAXAWOQXARU-IHWYPQMZSA-N 1 2 205.261 1.338 20 0 BDADLO CCO/C=C/C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000493268574 528469010 /nfs/dbraw/zinc/46/90/10/528469010.db2.gz VODXIVCTQQRKFX-NKLKJHRZSA-N 1 2 249.314 1.286 20 0 BDADLO CCO/C=C/C(=O)NCc1[nH+]ccn1CC ZINC000493328192 528486386 /nfs/dbraw/zinc/48/63/86/528486386.db2.gz WAZAMLDCJODICR-VMPITWQZSA-N 1 2 223.276 1.069 20 0 BDADLO CCO/C=C/C(=O)NCc1c[nH+]ccc1OC ZINC000493482057 528486411 /nfs/dbraw/zinc/48/64/11/528486411.db2.gz IESHYIMHFJZHFF-FNORWQNLSA-N 1 2 236.271 1.257 20 0 BDADLO CCO/C=C\C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000493783683 528509149 /nfs/dbraw/zinc/50/91/49/528509149.db2.gz REXLTGXCJHMSHS-YVMONPNESA-N 1 2 249.314 1.666 20 0 BDADLO CCO/C=C\C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000493783683 528509158 /nfs/dbraw/zinc/50/91/58/528509158.db2.gz REXLTGXCJHMSHS-YVMONPNESA-N 1 2 249.314 1.666 20 0 BDADLO CCO/C=C\C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000493612356 528541422 /nfs/dbraw/zinc/54/14/22/528541422.db2.gz DWDVLQYOBYLKIO-VURMDHGXSA-N 1 2 235.287 1.708 20 0 BDADLO CCN(C[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493585902 528672515 /nfs/dbraw/zinc/67/25/15/528672515.db2.gz NXHZQMWFIPFGSR-FJOGCWAESA-N 1 2 249.314 1.450 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000401517168 528788974 /nfs/dbraw/zinc/78/89/74/528788974.db2.gz ZRQPHHSSHJJXSW-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000401517168 528788978 /nfs/dbraw/zinc/78/89/78/528788978.db2.gz ZRQPHHSSHJJXSW-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCN(C(=O)/C=C\c1[nH+]ccn1CC)C1CC1 ZINC000493687981 528911350 /nfs/dbraw/zinc/91/13/50/528911350.db2.gz PLRJMCLCPZQLCM-FPLPWBNLSA-N 1 2 233.315 1.927 20 0 BDADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000492768267 528911379 /nfs/dbraw/zinc/91/13/79/528911379.db2.gz OUIQZDQMNUUVOZ-SREVYHEPSA-N 1 2 219.288 1.824 20 0 BDADLO CCOC(=O)N1CCC[N@H+](CCF)CC1 ZINC000493755644 528967838 /nfs/dbraw/zinc/96/78/38/528967838.db2.gz KOPIVPLYYLJFRW-UHFFFAOYSA-N 1 2 218.272 1.120 20 0 BDADLO CCOC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000493755644 528967839 /nfs/dbraw/zinc/96/78/39/528967839.db2.gz KOPIVPLYYLJFRW-UHFFFAOYSA-N 1 2 218.272 1.120 20 0 BDADLO CCOC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000495783450 528968630 /nfs/dbraw/zinc/96/86/30/528968630.db2.gz CEUDLGTXBUSROA-UHFFFAOYSA-N 1 2 249.314 1.750 20 0 BDADLO CCc1cccc(C[NH+]2CC3(C2)CNC(=O)O3)c1 ZINC000496163744 529168401 /nfs/dbraw/zinc/16/84/01/529168401.db2.gz CIJTYEFBUODRQG-UHFFFAOYSA-N 1 2 246.310 1.543 20 0 BDADLO CC[C@@H](O)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492890969 529217994 /nfs/dbraw/zinc/21/79/94/529217994.db2.gz CNVSLYDGNDLWSB-MVIFTORASA-N 1 2 237.303 1.090 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(C)cn1 ZINC000505602301 529311187 /nfs/dbraw/zinc/31/11/87/529311187.db2.gz NELQCHNOGOTNAN-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnc(C)cn1 ZINC000505602301 529311188 /nfs/dbraw/zinc/31/11/88/529311188.db2.gz NELQCHNOGOTNAN-YPMHNXCESA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858714 529322793 /nfs/dbraw/zinc/32/27/93/529322793.db2.gz FYFUEEAZRVZLGQ-UMBAGQNISA-N 1 2 219.288 1.681 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000492767651 529347334 /nfs/dbraw/zinc/34/73/34/529347334.db2.gz NTFQOOQFBZOILS-ZHLVKLTDSA-N 1 2 249.314 1.449 20 0 BDADLO CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000492767650 529347422 /nfs/dbraw/zinc/34/74/22/529347422.db2.gz NTFQOOQFBZOILS-HDTYDHQFSA-N 1 2 249.314 1.449 20 0 BDADLO CC(C)c1nnc(C[N@@H+](CCO)C(C)C)o1 ZINC000176365510 534969471 /nfs/dbraw/zinc/96/94/71/534969471.db2.gz AFVGZUJNBXFZOR-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+](CCO)C(C)C)o1 ZINC000176365510 534969474 /nfs/dbraw/zinc/96/94/74/534969474.db2.gz AFVGZUJNBXFZOR-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334381980 535022190 /nfs/dbraw/zinc/02/21/90/535022190.db2.gz KBCCVDNDKXGEQB-LLVKDONJSA-N 1 2 235.331 1.560 20 0 BDADLO CCCC[N@H+](CCCO)Cc1csnn1 ZINC000349379591 535253358 /nfs/dbraw/zinc/25/33/58/535253358.db2.gz BYOKOLZSSKCAAX-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO CCCC[N@@H+](CCCO)Cc1csnn1 ZINC000349379591 535253361 /nfs/dbraw/zinc/25/33/61/535253361.db2.gz BYOKOLZSSKCAAX-UHFFFAOYSA-N 1 2 229.349 1.523 20 0 BDADLO CCCN(C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000171408705 535220147 /nfs/dbraw/zinc/22/01/47/535220147.db2.gz QSUMMLUZVBWYFK-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO CCCN(CCO)c1cc[nH+]c(C(C)C)n1 ZINC000172762547 535336394 /nfs/dbraw/zinc/33/63/94/535336394.db2.gz FMUAGZJMTQKEGR-UHFFFAOYSA-N 1 2 223.320 1.809 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1Cc1[nH+]cc(C)n1C ZINC000342796846 535843916 /nfs/dbraw/zinc/84/39/16/535843916.db2.gz BOMSVTOMZIVOEF-NWDGAFQWSA-N 1 2 237.347 1.728 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000334353235 535869075 /nfs/dbraw/zinc/86/90/75/535869075.db2.gz XZWARAJLEIDDME-QWHCGFSZSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000334353235 535869077 /nfs/dbraw/zinc/86/90/77/535869077.db2.gz XZWARAJLEIDDME-QWHCGFSZSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334353234 535869366 /nfs/dbraw/zinc/86/93/66/535869366.db2.gz XZWARAJLEIDDME-OLZOCXBDSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334353234 535869371 /nfs/dbraw/zinc/86/93/71/535869371.db2.gz XZWARAJLEIDDME-OLZOCXBDSA-N 1 2 235.331 1.656 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250039446 536103768 /nfs/dbraw/zinc/10/37/68/536103768.db2.gz CNGPBXUQRIHDBO-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250039446 536103765 /nfs/dbraw/zinc/10/37/65/536103765.db2.gz CNGPBXUQRIHDBO-NXEZZACHSA-N 1 2 229.320 1.437 20 0 BDADLO CCc1cc(N2CCC(=O)CC2)nc[nH+]1 ZINC000040764961 536143140 /nfs/dbraw/zinc/14/31/40/536143140.db2.gz RDEWAWIELRQAIS-UHFFFAOYSA-N 1 2 205.261 1.208 20 0 BDADLO CCc1ccc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000335858228 536177562 /nfs/dbraw/zinc/17/75/62/536177562.db2.gz LMEBKQCCEZIJJU-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO CCc1ccc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000335858228 536177566 /nfs/dbraw/zinc/17/75/66/536177566.db2.gz LMEBKQCCEZIJJU-NSHDSACASA-N 1 2 220.316 1.865 20 0 BDADLO COC1(C)C[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000336084516 536588745 /nfs/dbraw/zinc/58/87/45/536588745.db2.gz JOGADMXHJGGCPX-UHFFFAOYSA-N 1 2 223.320 1.258 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929460 974977789 /nfs/dbraw/zinc/97/77/89/974977789.db2.gz DZYYKZWJWOOGNP-OUAUKWLOSA-N 1 2 249.301 1.646 20 0 BDADLO CO[C@@H]1CCC[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001172929460 974977793 /nfs/dbraw/zinc/97/77/93/974977793.db2.gz DZYYKZWJWOOGNP-OUAUKWLOSA-N 1 2 249.301 1.646 20 0 BDADLO CCc1cc(NCCOCC(F)F)nc[nH+]1 ZINC000231678097 566314328 /nfs/dbraw/zinc/31/43/28/566314328.db2.gz CPDQOSAJLMDUAO-UHFFFAOYSA-N 1 2 231.246 1.733 20 0 BDADLO Cc1cc(C[N@H+]2CC3(CCC3)OC[C@H]2C)ncn1 ZINC000661464035 566336514 /nfs/dbraw/zinc/33/65/14/566336514.db2.gz XBXMBKNZXLDEJC-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)ncn1 ZINC000661464035 566336525 /nfs/dbraw/zinc/33/65/25/566336525.db2.gz XBXMBKNZXLDEJC-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nc(N2CCCCC[C@H]2CCO)cc[nH+]1 ZINC000343060187 566435466 /nfs/dbraw/zinc/43/54/66/566435466.db2.gz JIHWSUPMHYPXCL-LBPRGKRZSA-N 1 2 235.331 1.916 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC[C@@H]1CCCO1 ZINC000194417552 566492710 /nfs/dbraw/zinc/49/27/10/566492710.db2.gz NNSZXXNTGNVICZ-VIFPVBQESA-N 1 2 247.302 1.437 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)c(C)o1 ZINC000840979509 583214909 /nfs/dbraw/zinc/21/49/09/583214909.db2.gz SQGHLWSMHLIQEV-GWCFXTLKSA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)c(C)o1 ZINC000840979509 583214910 /nfs/dbraw/zinc/21/49/10/583214910.db2.gz SQGHLWSMHLIQEV-GWCFXTLKSA-N 1 2 239.315 1.478 20 0 BDADLO CCCCC[C@@H]([NH2+][C@H](C)CCO)C(=O)OC ZINC000893955916 583261104 /nfs/dbraw/zinc/26/11/04/583261104.db2.gz VHZQGOQMWKJCRW-GHMZBOCLSA-N 1 2 231.336 1.469 20 0 BDADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)C(F)F ZINC000894045996 583287236 /nfs/dbraw/zinc/28/72/36/583287236.db2.gz SIUBKFHRVCXRPF-QMMMGPOBSA-N 1 2 231.246 1.433 20 0 BDADLO C[C@H](NC(=S)NC1CC1)c1[nH+]ccn1C ZINC000853044187 588717420 /nfs/dbraw/zinc/71/74/20/588717420.db2.gz FGVCJSKACASWAM-ZETCQYMHSA-N 1 2 224.333 1.108 20 0 BDADLO Cn1c[nH+]cc1COC(=O)Cc1cscn1 ZINC000853109673 588721169 /nfs/dbraw/zinc/72/11/69/588721169.db2.gz PMYXDWXPASVRLZ-UHFFFAOYSA-N 1 2 237.284 1.163 20 0 BDADLO Cc1nn(C[N@H+]2CCCCC[C@@H]2C)c(=O)o1 ZINC000853499919 588746135 /nfs/dbraw/zinc/74/61/35/588746135.db2.gz VFJUEIULRXQPDN-VIFPVBQESA-N 1 2 225.292 1.367 20 0 BDADLO Cc1nn(C[N@@H+]2CCCCC[C@@H]2C)c(=O)o1 ZINC000853499919 588746136 /nfs/dbraw/zinc/74/61/36/588746136.db2.gz VFJUEIULRXQPDN-VIFPVBQESA-N 1 2 225.292 1.367 20 0 BDADLO Fc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)ncn1 ZINC000853470105 588744915 /nfs/dbraw/zinc/74/49/15/588744915.db2.gz YYYGCPYWCOGHMK-QMMMGPOBSA-N 1 2 233.250 1.680 20 0 BDADLO Fc1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000853468960 588744924 /nfs/dbraw/zinc/74/49/24/588744924.db2.gz JNGIMYGOCJWFDT-MRVPVSSYSA-N 1 2 233.250 1.680 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=O)o1 ZINC000853490080 588745455 /nfs/dbraw/zinc/74/54/55/588745455.db2.gz MNHISMBNOKFSIR-MRVPVSSYSA-N 1 2 227.308 1.469 20 0 BDADLO Cc1nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=O)o1 ZINC000853490080 588745456 /nfs/dbraw/zinc/74/54/56/588745456.db2.gz MNHISMBNOKFSIR-MRVPVSSYSA-N 1 2 227.308 1.469 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c(=O)o1 ZINC000853489934 588745528 /nfs/dbraw/zinc/74/55/28/588745528.db2.gz XMTAAEGMYFSUEI-MWLCHTKSSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c(=O)o1 ZINC000853489934 588745529 /nfs/dbraw/zinc/74/55/29/588745529.db2.gz XMTAAEGMYFSUEI-MWLCHTKSSA-N 1 2 239.319 1.613 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](C)C2)c(=O)o1 ZINC000853505564 588746572 /nfs/dbraw/zinc/74/65/72/588746572.db2.gz MLKJSXXQDHTRHX-DTWKUNHWSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(=O)o1 ZINC000853505564 588746573 /nfs/dbraw/zinc/74/65/73/588746573.db2.gz MLKJSXXQDHTRHX-DTWKUNHWSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@H+](C)C[C@H]2CC=CCC2)c(=O)o1 ZINC000853506176 588746620 /nfs/dbraw/zinc/74/66/20/588746620.db2.gz HNMZIQFBYUTWJP-NSHDSACASA-N 1 2 237.303 1.390 20 0 BDADLO Cc1nn(C[N@@H+](C)C[C@H]2CC=CCC2)c(=O)o1 ZINC000853506176 588746621 /nfs/dbraw/zinc/74/66/21/588746621.db2.gz HNMZIQFBYUTWJP-NSHDSACASA-N 1 2 237.303 1.390 20 0 BDADLO Cc1nn(C[N@@H+]2CC(C)=C[C@H](C)C2)c(=O)o1 ZINC000853510554 588746997 /nfs/dbraw/zinc/74/69/97/588746997.db2.gz KTSVWEIUSLPYHB-QMMMGPOBSA-N 1 2 223.276 1.000 20 0 BDADLO Cc1nn(C[N@H+]2CC(C)=C[C@H](C)C2)c(=O)o1 ZINC000853510554 588746998 /nfs/dbraw/zinc/74/69/98/588746998.db2.gz KTSVWEIUSLPYHB-QMMMGPOBSA-N 1 2 223.276 1.000 20 0 BDADLO CSc1cnc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000853637935 588751367 /nfs/dbraw/zinc/75/13/67/588751367.db2.gz VROQKSCXEWKMQN-UHFFFAOYSA-N 1 2 247.327 1.484 20 0 BDADLO Cc1cc(N[C@@H]2CCn3ccnc32)nc[nH+]1 ZINC000853650440 588752341 /nfs/dbraw/zinc/75/23/41/588752341.db2.gz GHNBTTZZMSLOOT-SECBINFHSA-N 1 2 215.260 1.538 20 0 BDADLO CON1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000853671255 588754297 /nfs/dbraw/zinc/75/42/97/588754297.db2.gz KQUQJIIBXKDHDG-UHFFFAOYSA-N 1 2 236.319 1.283 20 0 BDADLO CCC(CC)CO[NH+]=C(N)[C@@H](C)OC ZINC000853673582 588754750 /nfs/dbraw/zinc/75/47/50/588754750.db2.gz HAHRJCLUMBCQBZ-MRVPVSSYSA-N 1 2 202.298 1.956 20 0 BDADLO CCCc1nc(C)c(CO[NH+]=C(N)CCO)o1 ZINC000853686572 588755992 /nfs/dbraw/zinc/75/59/92/588755992.db2.gz AUEDLMUJRGXTCW-UHFFFAOYSA-N 1 2 241.291 1.316 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]O[C@@H]1COC(C)(C)C1 ZINC000853688051 588756463 /nfs/dbraw/zinc/75/64/63/588756463.db2.gz DDTQEJQAJWZMRX-VIFPVBQESA-N 1 2 244.335 1.867 20 0 BDADLO CC1(CO[NH+]=C(N)[C@H]2CCCO2)CCC1 ZINC000853698714 588757735 /nfs/dbraw/zinc/75/77/35/588757735.db2.gz SDLTYKKVYDGCDQ-SECBINFHSA-N 1 2 212.293 1.854 20 0 BDADLO COC1(C(N)=[NH+]OCCC(C)C)CCOCC1 ZINC000853742445 588760771 /nfs/dbraw/zinc/76/07/71/588760771.db2.gz PAKBZELTGGXKOK-UHFFFAOYSA-N 1 2 244.335 1.727 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)c1ncnc2c1CCC2 ZINC000853743011 588760849 /nfs/dbraw/zinc/76/08/49/588760849.db2.gz HGSMWPHBTKQCGH-UHFFFAOYSA-N 1 2 229.287 1.325 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)c1ncnc2c1CCC2 ZINC000853743011 588760850 /nfs/dbraw/zinc/76/08/50/588760850.db2.gz HGSMWPHBTKQCGH-UHFFFAOYSA-N 1 2 229.287 1.325 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc([C@@H]2C[C@@H]2C)no1 ZINC000854140542 588776438 /nfs/dbraw/zinc/77/64/38/588776438.db2.gz GVAYSMDBFRKECV-YIZRAAEISA-N 1 2 225.292 1.618 20 0 BDADLO CCCONC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000854202940 588779194 /nfs/dbraw/zinc/77/91/94/588779194.db2.gz ISOVMXMNPNJJOB-MRVPVSSYSA-N 1 2 226.280 1.122 20 0 BDADLO CCC(F)(F)C(=O)N(C)Cc1[nH+]ccn1C ZINC000854275278 588782534 /nfs/dbraw/zinc/78/25/34/588782534.db2.gz KEOWIMRVLYPNHI-UHFFFAOYSA-N 1 2 231.246 1.424 20 0 BDADLO CCC(F)(F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000854419122 588786293 /nfs/dbraw/zinc/78/62/93/588786293.db2.gz MGCQALHNPPMCDL-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC000854482312 588789202 /nfs/dbraw/zinc/78/92/02/588789202.db2.gz ZDIKWHTUHAYFJF-RXMQYKEDSA-N 1 2 221.182 1.019 20 0 BDADLO CCc1noc(C)c1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854657447 588799670 /nfs/dbraw/zinc/79/96/70/588799670.db2.gz QCOHQBQIXKUDBH-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CCc1nocc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854686069 588801088 /nfs/dbraw/zinc/80/10/88/588801088.db2.gz RLUHDDFLYZQQSZ-SNVBAGLBSA-N 1 2 246.270 1.308 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)SC ZINC000854759828 588805010 /nfs/dbraw/zinc/80/50/10/588805010.db2.gz BYCOCZURYLATQQ-UHFFFAOYSA-N 1 2 241.360 1.661 20 0 BDADLO C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CC=CCC1 ZINC000854918409 588816744 /nfs/dbraw/zinc/81/67/44/588816744.db2.gz VUDFHGNDDDACDQ-LBPRGKRZSA-N 1 2 219.288 1.567 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc(C2CC2)[nH]n1 ZINC000854952400 588818628 /nfs/dbraw/zinc/81/86/28/588818628.db2.gz KSPAXFQVVXPQIN-UHFFFAOYSA-N 1 2 231.259 1.191 20 0 BDADLO C[C@@H]1C[C@H]1c1cc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1 ZINC000855002115 588819974 /nfs/dbraw/zinc/81/99/74/588819974.db2.gz OQAZAZBCCHKVSX-HTQZYQBOSA-N 1 2 245.286 1.437 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCCC(F)(F)C1 ZINC000855014993 588820580 /nfs/dbraw/zinc/82/05/80/588820580.db2.gz UNKBSOGXVZYTOT-UHFFFAOYSA-N 1 2 229.230 1.210 20 0 BDADLO C/C=C(\CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855137060 588823206 /nfs/dbraw/zinc/82/32/06/588823206.db2.gz WGJALTKQQKQIDN-RUDMXATFSA-N 1 2 207.277 1.724 20 0 BDADLO C/C=C(\CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855137060 588823207 /nfs/dbraw/zinc/82/32/07/588823207.db2.gz WGJALTKQQKQIDN-RUDMXATFSA-N 1 2 207.277 1.724 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000855137131 588823311 /nfs/dbraw/zinc/82/33/11/588823311.db2.gz YFEBJEJVBDGJFQ-YUMQZZPRSA-N 1 2 229.230 1.269 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000855137131 588823312 /nfs/dbraw/zinc/82/33/12/588823312.db2.gz YFEBJEJVBDGJFQ-YUMQZZPRSA-N 1 2 229.230 1.269 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cnn(C)n2)oc1C ZINC000806167150 582515747 /nfs/dbraw/zinc/51/57/47/582515747.db2.gz MJCWDGYFLDBRLH-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000855427903 588834287 /nfs/dbraw/zinc/83/42/87/588834287.db2.gz PMGSPBIBVVMWIN-MNOVXSKESA-N 1 2 231.299 1.280 20 0 BDADLO Cc1ccc(C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000144721838 582575640 /nfs/dbraw/zinc/57/56/40/582575640.db2.gz KCUFOIZQYKQRGA-UHFFFAOYSA-N 1 2 249.310 1.484 20 0 BDADLO Cc1cnc(F)cc1C(=O)NCc1c[nH+]cn1C ZINC000890990571 582594757 /nfs/dbraw/zinc/59/47/57/582594757.db2.gz OLVPOVCNTUJNNA-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1CCc2[nH+]ccn2C1 ZINC000891200155 582625986 /nfs/dbraw/zinc/62/59/86/582625986.db2.gz RJHONWUUGJFYJX-RZXPJHQTSA-N 1 2 239.706 1.314 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H](C)CO2)c[nH+]1 ZINC000891369846 582672188 /nfs/dbraw/zinc/67/21/88/582672188.db2.gz GNDVWEHUJPOYFB-ZANVPECISA-N 1 2 248.326 1.740 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000891488787 582692296 /nfs/dbraw/zinc/69/22/96/582692296.db2.gz AWEINNHOPRBHBJ-SNVBAGLBSA-N 1 2 238.287 1.128 20 0 BDADLO COc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)o1 ZINC000891488787 582692297 /nfs/dbraw/zinc/69/22/97/582692297.db2.gz AWEINNHOPRBHBJ-SNVBAGLBSA-N 1 2 238.287 1.128 20 0 BDADLO CCc1cc(NCCNC(C)=O)nc(CC)[nH+]1 ZINC000891488040 582692590 /nfs/dbraw/zinc/69/25/90/582692590.db2.gz ZBQFIGICCFRBCE-UHFFFAOYSA-N 1 2 236.319 1.149 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3c2OCC3)CCO1 ZINC000891541188 582695484 /nfs/dbraw/zinc/69/54/84/582695484.db2.gz BSHLIWSDMRSBTE-NSHDSACASA-N 1 2 233.311 1.842 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3c2OCC3)CCO1 ZINC000891541188 582695486 /nfs/dbraw/zinc/69/54/86/582695486.db2.gz BSHLIWSDMRSBTE-NSHDSACASA-N 1 2 233.311 1.842 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn3ccnc3s2)CCO1 ZINC000891542752 582695757 /nfs/dbraw/zinc/69/57/57/582695757.db2.gz KEEURTYNBGIXSS-SECBINFHSA-N 1 2 237.328 1.617 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn3ccnc3s2)CCO1 ZINC000891542752 582695759 /nfs/dbraw/zinc/69/57/59/582695759.db2.gz KEEURTYNBGIXSS-SECBINFHSA-N 1 2 237.328 1.617 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCC3)[C@H](C)CO1 ZINC000891671202 582708277 /nfs/dbraw/zinc/70/82/77/582708277.db2.gz MYLAVLDINUQINJ-GHMZBOCLSA-N 1 2 249.358 1.518 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)[C@H](C)CO1 ZINC000891671202 582708278 /nfs/dbraw/zinc/70/82/78/582708278.db2.gz MYLAVLDINUQINJ-GHMZBOCLSA-N 1 2 249.358 1.518 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC(C)(C)C2)c(C)n1 ZINC000891706864 582711471 /nfs/dbraw/zinc/71/14/71/582711471.db2.gz PHJRBLDZLNZWKR-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO CCn1cc(C[N@H+]2CCOC(C)(C)C2)c(C)n1 ZINC000891706864 582711472 /nfs/dbraw/zinc/71/14/72/582711472.db2.gz PHJRBLDZLNZWKR-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2CCCOCC2)c1Cl ZINC000891719454 582713325 /nfs/dbraw/zinc/71/33/25/582713325.db2.gz FERVNUDHFIUXAJ-UHFFFAOYSA-N 1 2 243.738 1.604 20 0 BDADLO Cc1nn(C)c(C[N@H+]2CCCOCC2)c1Cl ZINC000891719454 582713328 /nfs/dbraw/zinc/71/33/28/582713328.db2.gz FERVNUDHFIUXAJ-UHFFFAOYSA-N 1 2 243.738 1.604 20 0 BDADLO COc1nccc(C[N@@H+]2CCCOCC2)c1F ZINC000891720063 582713672 /nfs/dbraw/zinc/71/36/72/582713672.db2.gz JUVLWTSQVZOLCG-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO COc1nccc(C[N@H+]2CCCOCC2)c1F ZINC000891720063 582713675 /nfs/dbraw/zinc/71/36/75/582713675.db2.gz JUVLWTSQVZOLCG-UHFFFAOYSA-N 1 2 240.278 1.452 20 0 BDADLO Cc1cc(CN(C)c2cc(N(C)C)[nH+]cn2)no1 ZINC000891754412 582716711 /nfs/dbraw/zinc/71/67/11/582716711.db2.gz MQRGSKDWPLKGGB-UHFFFAOYSA-N 1 2 247.302 1.475 20 0 BDADLO Cc1cc(CN(C)c2cc(N(C)C)nc[nH+]2)no1 ZINC000891754412 582716714 /nfs/dbraw/zinc/71/67/14/582716714.db2.gz MQRGSKDWPLKGGB-UHFFFAOYSA-N 1 2 247.302 1.475 20 0 BDADLO CCn1cc(C[N@@H+]2CCOCC2(C)C)c(C)n1 ZINC000891780835 582720106 /nfs/dbraw/zinc/72/01/06/582720106.db2.gz CUGBHOMXPFUDTC-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO CCn1cc(C[N@H+]2CCOCC2(C)C)c(C)n1 ZINC000891780835 582720109 /nfs/dbraw/zinc/72/01/09/582720109.db2.gz CUGBHOMXPFUDTC-UHFFFAOYSA-N 1 2 237.347 1.822 20 0 BDADLO COCc1nccc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000891783263 582720173 /nfs/dbraw/zinc/72/01/73/582720173.db2.gz CBJUWTJXGJBLFA-JTQLQIEISA-N 1 2 247.302 1.320 20 0 BDADLO CC(C)(F)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855747419 588846826 /nfs/dbraw/zinc/84/68/26/588846826.db2.gz JBKBUMWFMVPKAJ-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO CN(Cc1[nH+]ccn1C1CC1)CC(F)F ZINC000891811388 582725168 /nfs/dbraw/zinc/72/51/68/582725168.db2.gz DQHMYXWBJYQPJY-UHFFFAOYSA-N 1 2 215.247 1.915 20 0 BDADLO CCNC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000891947630 582743175 /nfs/dbraw/zinc/74/31/75/582743175.db2.gz LNQASQWRAKPUOE-UHFFFAOYSA-N 1 2 232.287 1.462 20 0 BDADLO CCN(C[C@@H]1CCCO1)c1nccn2c[nH+]cc12 ZINC000891969636 582749723 /nfs/dbraw/zinc/74/97/23/582749723.db2.gz QWVLLEPHTZERGX-NSHDSACASA-N 1 2 246.314 1.735 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCCO2)[nH+]cn1 ZINC000892000194 582758208 /nfs/dbraw/zinc/75/82/08/582758208.db2.gz ABORWFGGVIBQOA-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(NC[C@@H]2CCCCO2)nc[nH+]1 ZINC000892000194 582758209 /nfs/dbraw/zinc/75/82/09/582758209.db2.gz ABORWFGGVIBQOA-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CCC(O)(CC)CNc1cc(N(C)C)nc[nH+]1 ZINC000892125855 582795811 /nfs/dbraw/zinc/79/58/11/582795811.db2.gz PEKLAQRJJRGXMM-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO CCC(O)(CC)CNc1cc(N(C)C)[nH+]cn1 ZINC000892125855 582795813 /nfs/dbraw/zinc/79/58/13/582795813.db2.gz PEKLAQRJJRGXMM-UHFFFAOYSA-N 1 2 238.335 1.506 20 0 BDADLO C[C@@H](O)c1cccc(NCC2CCOCC2)[nH+]1 ZINC000892172477 582805017 /nfs/dbraw/zinc/80/50/17/582805017.db2.gz BFSZIQLMCDDBEU-SNVBAGLBSA-N 1 2 236.315 1.973 20 0 BDADLO COCC[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892251351 582813273 /nfs/dbraw/zinc/81/32/73/582813273.db2.gz IMEUVVXTLOKRPI-UWVGGRQHSA-N 1 2 224.304 1.972 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)CCCO1 ZINC000892296913 582830135 /nfs/dbraw/zinc/83/01/35/582830135.db2.gz YMWRGTMDVPLIRR-SNVBAGLBSA-N 1 2 232.287 1.345 20 0 BDADLO CCn1ncnc1C[NH2+][C@@H](C)c1c(C)noc1C ZINC000092332122 582854887 /nfs/dbraw/zinc/85/48/87/582854887.db2.gz RAZPVDDQKDMUAX-QMMMGPOBSA-N 1 2 249.318 1.754 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H]2C[C@H]2C1 ZINC000856064151 588858979 /nfs/dbraw/zinc/85/89/79/588858979.db2.gz WIASYTGCSXZPJS-QWRGUYRKSA-N 1 2 241.294 1.816 20 0 BDADLO CCn1cnnc1C[NH2+]Cc1ccc(OC)o1 ZINC000892592641 582923511 /nfs/dbraw/zinc/92/35/11/582923511.db2.gz RLIBADPHWQRUGB-UHFFFAOYSA-N 1 2 236.275 1.189 20 0 BDADLO C[C@@H]1CSCCN1c1cc(N(C)C)nc[nH+]1 ZINC000892620577 582932159 /nfs/dbraw/zinc/93/21/59/582932159.db2.gz CJTTWUIJEGLNHN-SECBINFHSA-N 1 2 238.360 1.484 20 0 BDADLO C[C@@H]1CSCCN1c1cc(N(C)C)[nH+]cn1 ZINC000892620577 582932158 /nfs/dbraw/zinc/93/21/58/582932158.db2.gz CJTTWUIJEGLNHN-SECBINFHSA-N 1 2 238.360 1.484 20 0 BDADLO CCc1cc(N(CCO)CC2CC2)nc(CC)[nH+]1 ZINC000892687924 582955772 /nfs/dbraw/zinc/95/57/72/582955772.db2.gz VNNPYKBBZAIFMF-UHFFFAOYSA-N 1 2 249.358 1.810 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856276965 588866529 /nfs/dbraw/zinc/86/65/29/588866529.db2.gz FCJHVBSJNOFLDE-ZKXNXJMVSA-N 1 2 221.304 1.954 20 0 BDADLO C[C@@H](NC(=O)/C=C\C1CC1)c1[nH+]ccn1C ZINC000856277842 588866562 /nfs/dbraw/zinc/86/65/62/588866562.db2.gz RRFLZRRGKMEBMS-SSJHQANKSA-N 1 2 219.288 1.564 20 0 BDADLO C/C(=C\C(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000856276746 588866610 /nfs/dbraw/zinc/86/66/10/588866610.db2.gz CNPKKZQPYZLLTR-DDXVTDLHSA-N 1 2 233.315 1.954 20 0 BDADLO C[C@H](NC(=O)C1=COCCC1)c1[nH+]ccn1C ZINC000856278225 588866618 /nfs/dbraw/zinc/86/66/18/588866618.db2.gz ZOPPNRMWJKVQAJ-VIFPVBQESA-N 1 2 235.287 1.292 20 0 BDADLO C[C@@H](O)c1cccc(NCC(C)(C)CCO)[nH+]1 ZINC000892738279 582973249 /nfs/dbraw/zinc/97/32/49/582973249.db2.gz AQRZHYPZISCUDD-SNVBAGLBSA-N 1 2 238.331 1.955 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)[nH+]cn2)C[C@H]1C ZINC000892737773 582973537 /nfs/dbraw/zinc/97/35/37/582973537.db2.gz KOYOMEKYZWRRBL-NXEZZACHSA-N 1 2 220.320 1.635 20 0 BDADLO C[C@@H]1CN(c2cc(N(C)C)nc[nH+]2)C[C@H]1C ZINC000892737773 582973539 /nfs/dbraw/zinc/97/35/39/582973539.db2.gz KOYOMEKYZWRRBL-NXEZZACHSA-N 1 2 220.320 1.635 20 0 BDADLO CS/C=C/C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277599 588866708 /nfs/dbraw/zinc/86/67/08/588866708.db2.gz MOSNFORHYSIAIE-RXLGXGPVSA-N 1 2 225.317 1.474 20 0 BDADLO C/C=C/C=C\C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277153 588866741 /nfs/dbraw/zinc/86/67/41/588866741.db2.gz WBQHGKGRKTUWTR-DRPLVDAUSA-N 1 2 219.288 1.730 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(CCC1CC1)CC1CC1 ZINC000856284206 588867159 /nfs/dbraw/zinc/86/71/59/588867159.db2.gz DOIHNXSUERPZMO-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CCc1cc(N(C)C[C@H](O)C2CC2)nc(CC)[nH+]1 ZINC000892852389 582997011 /nfs/dbraw/zinc/99/70/11/582997011.db2.gz YUHJFUMTKRARAV-LBPRGKRZSA-N 1 2 249.358 1.809 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H](C)CCCO)[nH+]1 ZINC000892884369 583005188 /nfs/dbraw/zinc/00/51/88/583005188.db2.gz ZEFGNYXBHPQKHM-UWVGGRQHSA-N 1 2 224.304 1.708 20 0 BDADLO CN(C)c1cc(NC2CC=CC2)[nH+]cn1 ZINC000892915791 583009573 /nfs/dbraw/zinc/00/95/73/583009573.db2.gz GYYJXMQRTKOXAY-UHFFFAOYSA-N 1 2 204.277 1.673 20 0 BDADLO CN(C)c1cc(NC2CC=CC2)nc[nH+]1 ZINC000892915791 583009575 /nfs/dbraw/zinc/00/95/75/583009575.db2.gz GYYJXMQRTKOXAY-UHFFFAOYSA-N 1 2 204.277 1.673 20 0 BDADLO CC[C@H](O)CCNc1cc(N(C)C)nc[nH+]1 ZINC000892935744 583012296 /nfs/dbraw/zinc/01/22/96/583012296.db2.gz CFOGQBNLDNNFGU-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO CC[C@H](O)CCNc1cc(N(C)C)[nH+]cn1 ZINC000892935744 583012298 /nfs/dbraw/zinc/01/22/98/583012298.db2.gz CFOGQBNLDNNFGU-VIFPVBQESA-N 1 2 224.308 1.116 20 0 BDADLO COCC[N@H+](CCF)Cc1cnoc1C ZINC000852481588 583014154 /nfs/dbraw/zinc/01/41/54/583014154.db2.gz NOYITYJYJIZHMO-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO COCC[N@@H+](CCF)Cc1cnoc1C ZINC000852481588 583014157 /nfs/dbraw/zinc/01/41/57/583014157.db2.gz NOYITYJYJIZHMO-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO CN(C[C@@H]1CCC[C@@H]1O)c1nccn2c[nH+]cc12 ZINC000892980492 583024582 /nfs/dbraw/zinc/02/45/82/583024582.db2.gz MCKUPKSOBHOWQR-JQWIXIFHSA-N 1 2 246.314 1.327 20 0 BDADLO CN(C)c1[nH+]cccc1COC(=O)CCF ZINC000893021964 583031925 /nfs/dbraw/zinc/03/19/25/583031925.db2.gz HMKUFDZHZPCGDE-UHFFFAOYSA-N 1 2 226.251 1.550 20 0 BDADLO CCc1cc(N2C[C@H](O)[C@@H](C)C2)nc(CC)[nH+]1 ZINC000893080917 583044680 /nfs/dbraw/zinc/04/46/80/583044680.db2.gz VDBQHCHNMJMEGP-ONGXEEELSA-N 1 2 235.331 1.418 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)C[C@H](C)O)[nH+]1 ZINC000893126130 583053395 /nfs/dbraw/zinc/05/33/95/583053395.db2.gz ICCQKECDZJBPME-KXUCPTDWSA-N 1 2 224.304 1.706 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@H]2C)ccn1 ZINC000856739060 588875740 /nfs/dbraw/zinc/87/57/40/588875740.db2.gz NHDHPHPWBAGNOV-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)ccn1 ZINC000856739060 588875741 /nfs/dbraw/zinc/87/57/41/588875741.db2.gz NHDHPHPWBAGNOV-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893240505 583076409 /nfs/dbraw/zinc/07/64/09/583076409.db2.gz XUSCUEYHJBHZRO-ORAHPGNNSA-N 1 2 236.319 1.282 20 0 BDADLO C/C=C/C[C@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893240505 583076412 /nfs/dbraw/zinc/07/64/12/583076412.db2.gz XUSCUEYHJBHZRO-ORAHPGNNSA-N 1 2 236.319 1.282 20 0 BDADLO CNc1cc(N2CC=C(COC)CC2)nc[nH+]1 ZINC000893251531 583078118 /nfs/dbraw/zinc/07/81/18/583078118.db2.gz PFTLVLYGINPULN-UHFFFAOYSA-N 1 2 234.303 1.301 20 0 BDADLO CNc1cc(N2CC=C(COC)CC2)[nH+]cn1 ZINC000893251531 583078119 /nfs/dbraw/zinc/07/81/19/583078119.db2.gz PFTLVLYGINPULN-UHFFFAOYSA-N 1 2 234.303 1.301 20 0 BDADLO C[C@@H](CC(=O)N[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC000855433499 583104988 /nfs/dbraw/zinc/10/49/88/583104988.db2.gz GANSNURPVOLONW-WDEREUQCSA-N 1 2 219.288 1.669 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C=CCC1 ZINC000855435270 583105435 /nfs/dbraw/zinc/10/54/35/583105435.db2.gz ASBISCSOVUQZGJ-VHSXEESVSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C=CCC1 ZINC000855435270 583105437 /nfs/dbraw/zinc/10/54/37/583105437.db2.gz ASBISCSOVUQZGJ-VHSXEESVSA-N 1 2 219.288 1.423 20 0 BDADLO C[C@@H](CN(C)C)[NH2+]Cc1cn(C)nc1Cl ZINC000856788884 588877735 /nfs/dbraw/zinc/87/77/35/588877735.db2.gz WKTUFQWOBYJXKK-QMMMGPOBSA-N 1 2 230.743 1.113 20 0 BDADLO CCc1nnc(C[NH2+][C@@H]2C=C[C@H](CO)C2)s1 ZINC000893367757 583126984 /nfs/dbraw/zinc/12/69/84/583126984.db2.gz QMHBPMHKMPRXCG-DTWKUNHWSA-N 1 2 239.344 1.127 20 0 BDADLO CC[N@H+](CCc1nccs1)CN1CCC1=O ZINC000857233987 583136207 /nfs/dbraw/zinc/13/62/07/583136207.db2.gz MOMLFIJGONVVHA-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC[N@@H+](CCc1nccs1)CN1CCC1=O ZINC000857233987 583136208 /nfs/dbraw/zinc/13/62/08/583136208.db2.gz MOMLFIJGONVVHA-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO Cc1[nH]c(CN(CC(F)F)C[C@@H](C)O)[nH+]c1C ZINC000628300341 583150821 /nfs/dbraw/zinc/15/08/21/583150821.db2.gz AMVZNPSDAMCSII-SSDOTTSWSA-N 1 2 247.289 1.474 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CCOC[C@@H]2C)[nH+]1 ZINC000893499869 583154088 /nfs/dbraw/zinc/15/40/88/583154088.db2.gz FRIGLEZYWOZHSG-DCAQKATOSA-N 1 2 236.315 1.972 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)C1CC1 ZINC000893516043 583155633 /nfs/dbraw/zinc/15/56/33/583155633.db2.gz ITQQDKMZJJAICH-VIFPVBQESA-N 1 2 206.245 1.590 20 0 BDADLO CC(C)c1nc(NCC[C@H](C)O)cc[nH+]1 ZINC000114710041 588880350 /nfs/dbraw/zinc/88/03/50/588880350.db2.gz PHZXPBVRXQXPGK-VIFPVBQESA-N 1 2 209.293 1.783 20 0 BDADLO C[C@@H](O)c1cccc(NCCC[C@H](C)O)[nH+]1 ZINC000893561830 583164548 /nfs/dbraw/zinc/16/45/48/583164548.db2.gz NAFHSVWDZIHENT-VHSXEESVSA-N 1 2 224.304 1.708 20 0 BDADLO COC/C=C/C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000866896010 583171613 /nfs/dbraw/zinc/17/16/13/583171613.db2.gz MRYUYNGSMRWQGP-AATRIKPKSA-N 1 2 249.314 1.597 20 0 BDADLO CC[C@@H]1CN(c2nccn3c[nH+]cc23)CCCO1 ZINC000893675756 583194122 /nfs/dbraw/zinc/19/41/22/583194122.db2.gz VFCBECHGGZQUCB-LLVKDONJSA-N 1 2 246.314 1.735 20 0 BDADLO F[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000893677695 583196300 /nfs/dbraw/zinc/19/63/00/583196300.db2.gz XIDAKMAGOBJMHF-VIFPVBQESA-N 1 2 220.251 1.668 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)n1 ZINC000857049767 588884532 /nfs/dbraw/zinc/88/45/32/588884532.db2.gz SVNJNYJTWAJJQV-OCAPTIKFSA-N 1 2 247.676 1.770 20 0 BDADLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)n1 ZINC000857049767 588884533 /nfs/dbraw/zinc/88/45/33/588884533.db2.gz SVNJNYJTWAJJQV-OCAPTIKFSA-N 1 2 247.676 1.770 20 0 BDADLO C[C@@H](CO)N(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000893726498 583216543 /nfs/dbraw/zinc/21/65/43/583216543.db2.gz MDQPBTCCZVAJFE-NSHDSACASA-N 1 2 243.310 1.961 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000893803422 583227052 /nfs/dbraw/zinc/22/70/52/583227052.db2.gz QVHKCJARQVVBSZ-SNVBAGLBSA-N 1 2 238.335 1.654 20 0 BDADLO CCOC1CC(N(C)c2nccn3c[nH+]cc23)C1 ZINC000893865555 583235059 /nfs/dbraw/zinc/23/50/59/583235059.db2.gz GPNBMDJLDTWYRU-UHFFFAOYSA-N 1 2 246.314 1.733 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000893916039 583246130 /nfs/dbraw/zinc/24/61/30/583246130.db2.gz CTZXKLLCEIALRC-VIFPVBQESA-N 1 2 247.298 1.489 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000893916039 583246133 /nfs/dbraw/zinc/24/61/33/583246133.db2.gz CTZXKLLCEIALRC-VIFPVBQESA-N 1 2 247.298 1.489 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893916914 583247244 /nfs/dbraw/zinc/24/72/44/583247244.db2.gz QXOIOSWLCTXLRO-UTLUCORTSA-N 1 2 224.304 1.970 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCO[C@@H](C)C2)c1C ZINC000893917819 583247384 /nfs/dbraw/zinc/24/73/84/583247384.db2.gz YRYCFNYUUFRDFR-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCO[C@@H](C)C2)c1C ZINC000893917819 583247385 /nfs/dbraw/zinc/24/73/85/583247385.db2.gz YRYCFNYUUFRDFR-QMMMGPOBSA-N 1 2 209.293 1.247 20 0 BDADLO CC[C@H]1C[N@H+](Cc2[nH]nc(C)c2C)CCO1 ZINC000893920559 583248390 /nfs/dbraw/zinc/24/83/90/583248390.db2.gz SCPNPMLVWJTQCT-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2[nH]nc(C)c2C)CCO1 ZINC000893920559 583248393 /nfs/dbraw/zinc/24/83/93/583248393.db2.gz SCPNPMLVWJTQCT-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(C)co1 ZINC000893940959 583255063 /nfs/dbraw/zinc/25/50/63/583255063.db2.gz UEXFIWIAKSHBQE-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(C)co1 ZINC000893940959 583255064 /nfs/dbraw/zinc/25/50/64/583255064.db2.gz UEXFIWIAKSHBQE-UHFFFAOYSA-N 1 2 210.277 1.156 20 0 BDADLO COc1nn(C)cc1NCc1[nH+]ccn1C1CC1 ZINC000893960464 583262576 /nfs/dbraw/zinc/26/25/76/583262576.db2.gz TZJSGNUYFWDQLH-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2nc(C)no2)c(C)n1 ZINC000893971358 583264112 /nfs/dbraw/zinc/26/41/12/583264112.db2.gz DKACWLBQZROMNI-SECBINFHSA-N 1 2 249.318 1.754 20 0 BDADLO Cc1ncoc1C[NH+]1CCN(CC(F)F)CC1 ZINC000893977612 583265891 /nfs/dbraw/zinc/26/58/91/583265891.db2.gz GSJNONMCOPBPPL-UHFFFAOYSA-N 1 2 245.273 1.366 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000893976629 583266408 /nfs/dbraw/zinc/26/64/08/583266408.db2.gz VRWCDFLNRIPKAJ-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H](C)O1 ZINC000893976629 583266409 /nfs/dbraw/zinc/26/64/09/583266409.db2.gz VRWCDFLNRIPKAJ-GXSJLCMTSA-N 1 2 224.304 1.982 20 0 BDADLO COCc1nccc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000894015413 583275781 /nfs/dbraw/zinc/27/57/81/583275781.db2.gz KYPCXAZEOCGNKO-VIFPVBQESA-N 1 2 245.286 1.376 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ocnc2C)CCO1 ZINC000894035471 583279516 /nfs/dbraw/zinc/27/95/16/583279516.db2.gz YWKJGDUQHBJTND-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ocnc2C)CCO1 ZINC000894035471 583279518 /nfs/dbraw/zinc/27/95/18/583279518.db2.gz YWKJGDUQHBJTND-LLVKDONJSA-N 1 2 224.304 1.984 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)nc[nH+]2)ccn1 ZINC000894028838 583281666 /nfs/dbraw/zinc/28/16/66/583281666.db2.gz SEYHGBMSBAVRQJ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)[nH+]cn2)ccn1 ZINC000894028838 583281667 /nfs/dbraw/zinc/28/16/67/583281667.db2.gz SEYHGBMSBAVRQJ-UHFFFAOYSA-N 1 2 243.314 1.858 20 0 BDADLO C[C@H](CCCO)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894029397 583281840 /nfs/dbraw/zinc/28/18/40/583281840.db2.gz DCSWFVJXVJBHPC-GHMZBOCLSA-N 1 2 238.331 1.955 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ocnc2C)C1 ZINC000894083818 583295718 /nfs/dbraw/zinc/29/57/18/583295718.db2.gz GOQGSEOUILOQJV-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ocnc2C)C1 ZINC000894083818 583295720 /nfs/dbraw/zinc/29/57/20/583295720.db2.gz GOQGSEOUILOQJV-LLVKDONJSA-N 1 2 242.250 1.070 20 0 BDADLO CN(Cc1ccnn1C1CCC1)Cc1[nH]cc[nH+]1 ZINC000894092094 583299411 /nfs/dbraw/zinc/29/94/11/583299411.db2.gz WOZFEHOILWAZCE-UHFFFAOYSA-N 1 2 245.330 1.963 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1c2c(nn1C)CCC2 ZINC000894092129 583299951 /nfs/dbraw/zinc/29/99/51/583299951.db2.gz XKMFXPIGCCUARY-UHFFFAOYSA-N 1 2 245.330 1.264 20 0 BDADLO CCc1ncc(CNc2cc(NC)[nH+]cn2)o1 ZINC000894100089 583305024 /nfs/dbraw/zinc/30/50/24/583305024.db2.gz VQSGZCYLVAZXPQ-UHFFFAOYSA-N 1 2 233.275 1.681 20 0 BDADLO CCc1ncc(CNc2cc(NC)nc[nH+]2)o1 ZINC000894100089 583305027 /nfs/dbraw/zinc/30/50/27/583305027.db2.gz VQSGZCYLVAZXPQ-UHFFFAOYSA-N 1 2 233.275 1.681 20 0 BDADLO Cc1cc(C)c(CNc2cnc(CO)cn2)c[nH+]1 ZINC000894117411 583310569 /nfs/dbraw/zinc/31/05/69/583310569.db2.gz DHMXDXXAAWVFDZ-UHFFFAOYSA-N 1 2 244.298 1.593 20 0 BDADLO Cn1c[nH+]c(CCNc2cccc3nncn32)c1 ZINC000894151557 583318932 /nfs/dbraw/zinc/31/89/32/583318932.db2.gz QDBVCQKGBUTWTE-UHFFFAOYSA-N 1 2 242.286 1.117 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCc1ccc(C)c(C)c1 ZINC000894177901 583328488 /nfs/dbraw/zinc/32/84/88/583328488.db2.gz CGJFZICTQDPHFE-GFCCVEGCSA-N 1 2 235.327 1.997 20 0 BDADLO CCc1cc(NC[C@@H]2CNC(=O)C2)nc(CC)[nH+]1 ZINC000894185042 583333078 /nfs/dbraw/zinc/33/30/78/583333078.db2.gz JIPUTJLFHCYMLA-SECBINFHSA-N 1 2 248.330 1.149 20 0 BDADLO COCC[C@@H](C)CNc1cc(N(C)C)nc[nH+]1 ZINC000894185268 583333104 /nfs/dbraw/zinc/33/31/04/583333104.db2.gz LEHLRWGZFFJLFG-SNVBAGLBSA-N 1 2 238.335 1.627 20 0 BDADLO COCC[C@@H](C)CNc1cc(N(C)C)[nH+]cn1 ZINC000894185268 583333105 /nfs/dbraw/zinc/33/31/05/583333105.db2.gz LEHLRWGZFFJLFG-SNVBAGLBSA-N 1 2 238.335 1.627 20 0 BDADLO C[C@@H]1CC(C)(C)CN1c1nc(N)[nH+]c(C2CC2)n1 ZINC000894205409 583342556 /nfs/dbraw/zinc/34/25/56/583342556.db2.gz KFYNEHPKTAJEMO-MRVPVSSYSA-N 1 2 247.346 1.956 20 0 BDADLO C[C@@H]1CC(C)(C)CN1c1nc(N)nc(C2CC2)[nH+]1 ZINC000894205409 583342558 /nfs/dbraw/zinc/34/25/58/583342558.db2.gz KFYNEHPKTAJEMO-MRVPVSSYSA-N 1 2 247.346 1.956 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cn2ccsc2n1 ZINC000894207217 583351600 /nfs/dbraw/zinc/35/16/00/583351600.db2.gz UENPBLNWYWBFEE-UHFFFAOYSA-N 1 2 248.311 1.982 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCCNC(=O)C1 ZINC000726789923 583374118 /nfs/dbraw/zinc/37/41/18/583374118.db2.gz JGBCKXXFAKPHKV-SNVBAGLBSA-N 1 2 236.290 1.709 20 0 BDADLO C[C@H](c1cccc(F)c1)[N@H+]1CCCNC(=O)C1 ZINC000726789923 583374121 /nfs/dbraw/zinc/37/41/21/583374121.db2.gz JGBCKXXFAKPHKV-SNVBAGLBSA-N 1 2 236.290 1.709 20 0 BDADLO CC(C)[C@H](O)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493573 583375718 /nfs/dbraw/zinc/37/57/18/583375718.db2.gz PSTSTFGBMNPSTD-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@H](O)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000878493573 583375719 /nfs/dbraw/zinc/37/57/19/583375719.db2.gz PSTSTFGBMNPSTD-VHSXEESVSA-N 1 2 237.290 1.095 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ncccn1 ZINC000857279615 588902587 /nfs/dbraw/zinc/90/25/87/588902587.db2.gz BETKRYQQFRQYTB-VIFPVBQESA-N 1 2 245.286 1.184 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)[nH]1 ZINC000879324130 583423365 /nfs/dbraw/zinc/42/33/65/583423365.db2.gz DAELLCVQXXHAIZ-VHSXEESVSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)[nH]1 ZINC000879324130 583423368 /nfs/dbraw/zinc/42/33/68/583423368.db2.gz DAELLCVQXXHAIZ-VHSXEESVSA-N 1 2 238.335 1.366 20 0 BDADLO CN(C)CC[N@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000894450227 583463245 /nfs/dbraw/zinc/46/32/45/583463245.db2.gz UDCNJFBDWZRZOM-NXEZZACHSA-N 1 2 249.196 1.653 20 0 BDADLO CN(C)CC[N@@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000894450227 583463246 /nfs/dbraw/zinc/46/32/46/583463246.db2.gz UDCNJFBDWZRZOM-NXEZZACHSA-N 1 2 249.196 1.653 20 0 BDADLO CN(C)c1cc(N[C@H](CO)C2CCC2)[nH+]cn1 ZINC000894488786 583471168 /nfs/dbraw/zinc/47/11/68/583471168.db2.gz ILKPTLYKASWTBO-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(N[C@H](CO)C2CCC2)nc[nH+]1 ZINC000894488786 583471170 /nfs/dbraw/zinc/47/11/70/583471170.db2.gz ILKPTLYKASWTBO-SNVBAGLBSA-N 1 2 236.319 1.116 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000894491660 583472547 /nfs/dbraw/zinc/47/25/47/583472547.db2.gz HKTZRJCXASTBDA-JGPRNRPPSA-N 1 2 234.303 1.018 20 0 BDADLO Cc1coc(C[N@@H+]2CCN(CCO)[C@H](C)C2)c1 ZINC000894502701 583473665 /nfs/dbraw/zinc/47/36/65/583473665.db2.gz FIUFSHLPLVOOMD-GFCCVEGCSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1coc(C[N@H+]2CCN(CCO)[C@H](C)C2)c1 ZINC000894502701 583473666 /nfs/dbraw/zinc/47/36/66/583473666.db2.gz FIUFSHLPLVOOMD-GFCCVEGCSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H]2CCO)c1C ZINC000894500675 583474314 /nfs/dbraw/zinc/47/43/14/583474314.db2.gz OTZDTWLCYIZCAO-LLVKDONJSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H]2CCO)c1C ZINC000894500675 583474315 /nfs/dbraw/zinc/47/43/15/583474315.db2.gz OTZDTWLCYIZCAO-LLVKDONJSA-N 1 2 223.320 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1C ZINC000894532547 583478787 /nfs/dbraw/zinc/47/87/87/583478787.db2.gz HVZAOFJGCSDCEP-UFBFGSQYSA-N 1 2 223.320 1.229 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1C ZINC000894532547 583478791 /nfs/dbraw/zinc/47/87/91/583478791.db2.gz HVZAOFJGCSDCEP-UFBFGSQYSA-N 1 2 223.320 1.229 20 0 BDADLO COC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OC ZINC000894538806 583479611 /nfs/dbraw/zinc/47/96/11/583479611.db2.gz MDCPGASVDCBWAV-WRWGMCAJSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000894535409 583480058 /nfs/dbraw/zinc/48/00/58/583480058.db2.gz SGKORLHEOBWPPL-JMJZKYOTSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000894535409 583480060 /nfs/dbraw/zinc/48/00/60/583480060.db2.gz SGKORLHEOBWPPL-JMJZKYOTSA-N 1 2 224.304 1.981 20 0 BDADLO CCOC(=O)[C@@H](C)NCc1c(C)cc[nH+]c1N ZINC000894539346 583480201 /nfs/dbraw/zinc/48/02/01/583480201.db2.gz QPXFPQQUGBGDLL-SECBINFHSA-N 1 2 237.303 1.013 20 0 BDADLO CCCCC[C@@H](NCc1c[nH+]c[nH]1)C(=O)OC ZINC000894539546 583480657 /nfs/dbraw/zinc/48/06/57/583480657.db2.gz SVQWVEJTVMLANC-LLVKDONJSA-N 1 2 239.319 1.621 20 0 BDADLO CCCCC[C@@H](NCc1c[nH]c[nH+]1)C(=O)OC ZINC000894539546 583480658 /nfs/dbraw/zinc/48/06/58/583480658.db2.gz SVQWVEJTVMLANC-LLVKDONJSA-N 1 2 239.319 1.621 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2[nH]nc(C)c2C)n1 ZINC000894541333 583481166 /nfs/dbraw/zinc/48/11/66/583481166.db2.gz BZCOGPFYOIIKHA-MRVPVSSYSA-N 1 2 235.291 1.569 20 0 BDADLO COC(=O)Cc1cccc(NCc2c[nH+]c[nH]2)n1 ZINC000894545741 583481665 /nfs/dbraw/zinc/48/16/65/583481665.db2.gz VZOLMIAHLFMYRK-UHFFFAOYSA-N 1 2 246.270 1.132 20 0 BDADLO CCn1cc(C[NH+]2CC(C3CC3)C2)nn1 ZINC000894566557 583484019 /nfs/dbraw/zinc/48/40/19/583484019.db2.gz PECFRLGWZYWZGK-UHFFFAOYSA-N 1 2 206.293 1.140 20 0 BDADLO C[C@@]12COC[C@@H]1CN(c1nccn3c[nH+]cc13)C2 ZINC000894564133 583484122 /nfs/dbraw/zinc/48/41/22/583484122.db2.gz OWXZKXSVRQAJNE-GXFFZTMASA-N 1 2 244.298 1.202 20 0 BDADLO CN(Cc1cnn(C)c1Cl)Cc1[nH]cc[nH+]1 ZINC000894586443 583489145 /nfs/dbraw/zinc/48/91/45/583489145.db2.gz POAPKPKAYPYXHR-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO Cc1coc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000894587276 583490365 /nfs/dbraw/zinc/49/03/65/583490365.db2.gz YETNNZDPSZWZGO-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(Cl)nn1 ZINC000894587145 583490671 /nfs/dbraw/zinc/49/06/71/583490671.db2.gz RRKBDPJPSWJBGU-UHFFFAOYSA-N 1 2 237.694 1.485 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3C[C@H]3C2)nc[nH+]1 ZINC000894592190 583492321 /nfs/dbraw/zinc/49/23/21/583492321.db2.gz DEDXOWJWYDJXAZ-UWVGGRQHSA-N 1 2 218.304 1.389 20 0 BDADLO CN(C)c1cc(N2CC[C@H]3C[C@H]3C2)[nH+]cn1 ZINC000894592190 583492323 /nfs/dbraw/zinc/49/23/23/583492323.db2.gz DEDXOWJWYDJXAZ-UWVGGRQHSA-N 1 2 218.304 1.389 20 0 BDADLO COC(=O)[C@@H](C)NCc1[nH]cc(C(C)C)[nH+]1 ZINC000894629875 583496850 /nfs/dbraw/zinc/49/68/50/583496850.db2.gz NJPRTIYKESGPPY-MRVPVSSYSA-N 1 2 225.292 1.184 20 0 BDADLO CSc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000894686653 583506831 /nfs/dbraw/zinc/50/68/31/583506831.db2.gz VOJRZFBUDJBJEW-NSHDSACASA-N 1 2 245.319 1.908 20 0 BDADLO CSc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000894686653 583506832 /nfs/dbraw/zinc/50/68/32/583506832.db2.gz VOJRZFBUDJBJEW-NSHDSACASA-N 1 2 245.319 1.908 20 0 BDADLO CC(C)c1c[nH]c(CN2CC[C@@](F)(CO)C2)[nH+]1 ZINC000894686092 583507237 /nfs/dbraw/zinc/50/72/37/583507237.db2.gz AIATXLIXXFEVHG-LBPRGKRZSA-N 1 2 241.310 1.439 20 0 BDADLO COc1nc(C)cc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000894789566 583519995 /nfs/dbraw/zinc/51/99/95/583519995.db2.gz JELPZLNBOIRCQN-UHFFFAOYSA-N 1 2 233.275 1.437 20 0 BDADLO COC1C[NH+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000894820524 583524718 /nfs/dbraw/zinc/52/47/18/583524718.db2.gz WFWIAYRPWGITNC-JTQLQIEISA-N 1 2 233.311 1.841 20 0 BDADLO CCOC1C[NH+](Cc2cccc3c2OCC3)C1 ZINC000894820299 583525162 /nfs/dbraw/zinc/52/51/62/583525162.db2.gz VHKOKOHRVRPPIR-UHFFFAOYSA-N 1 2 233.311 1.842 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880300919 583527115 /nfs/dbraw/zinc/52/71/15/583527115.db2.gz YPBIMWLZAJRQOP-VIFPVBQESA-N 1 2 240.326 1.894 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](CF)C2)[nH]1 ZINC000880300919 583527116 /nfs/dbraw/zinc/52/71/16/583527116.db2.gz YPBIMWLZAJRQOP-VIFPVBQESA-N 1 2 240.326 1.894 20 0 BDADLO COc1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC000894829803 583527337 /nfs/dbraw/zinc/52/73/37/583527337.db2.gz FXQWKAZJAIZVCW-UHFFFAOYSA-N 1 2 217.215 1.985 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)no1 ZINC000894860206 583533354 /nfs/dbraw/zinc/53/33/54/583533354.db2.gz DJYZVBPORSXBMF-BDAKNGLRSA-N 1 2 210.277 1.661 20 0 BDADLO COCc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)no1 ZINC000894860206 583533357 /nfs/dbraw/zinc/53/33/57/583533357.db2.gz DJYZVBPORSXBMF-BDAKNGLRSA-N 1 2 210.277 1.661 20 0 BDADLO CCc1[nH]c(C[NH+]2CC3(CC3)C2)cc1C(=O)OC ZINC000894870029 583539705 /nfs/dbraw/zinc/53/97/05/583539705.db2.gz GZSDBWYYKLQHBT-UHFFFAOYSA-N 1 2 248.326 1.960 20 0 BDADLO CCn1ccc(CNCc2[nH+]ccn2C2CC2)n1 ZINC000894893931 583549292 /nfs/dbraw/zinc/54/92/92/583549292.db2.gz KBSCTVKBMKTVIP-UHFFFAOYSA-N 1 2 245.330 1.724 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C[C@H]1C ZINC000894905054 583553063 /nfs/dbraw/zinc/55/30/63/583553063.db2.gz RKKRMPVVRWLFTN-NOZJJQNGSA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C[C@H]1C ZINC000894905054 583553065 /nfs/dbraw/zinc/55/30/65/583553065.db2.gz RKKRMPVVRWLFTN-NOZJJQNGSA-N 1 2 237.347 1.883 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](CCCO)C2)c1C ZINC000894957570 583559108 /nfs/dbraw/zinc/55/91/08/583559108.db2.gz NGADRJTZBACOSB-GFCCVEGCSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](CCCO)C2)c1C ZINC000894957570 583559109 /nfs/dbraw/zinc/55/91/09/583559109.db2.gz NGADRJTZBACOSB-GFCCVEGCSA-N 1 2 237.347 1.621 20 0 BDADLO Cc1ncoc1C[NH+]1CC(C(F)F)C1 ZINC000894977323 583563206 /nfs/dbraw/zinc/56/32/06/583563206.db2.gz RTYQDPGFRFODIM-UHFFFAOYSA-N 1 2 202.204 1.680 20 0 BDADLO O[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccn3c[nH+]cc13)C2 ZINC000894988554 583565545 /nfs/dbraw/zinc/56/55/45/583565545.db2.gz VGFNBVBKMYLVMU-OUAUKWLOSA-N 1 2 244.298 1.079 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cnn(C)c2C)o1 ZINC000183456416 583586580 /nfs/dbraw/zinc/58/65/80/583586580.db2.gz HSPRYTPHBKRCOI-VIFPVBQESA-N 1 2 234.303 1.876 20 0 BDADLO Cc1nocc1C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895119226 583592805 /nfs/dbraw/zinc/59/28/05/583592805.db2.gz WPRVXOMDEUBZCD-FKTZTGRPSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1nocc1C[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895119226 583592808 /nfs/dbraw/zinc/59/28/08/583592808.db2.gz WPRVXOMDEUBZCD-FKTZTGRPSA-N 1 2 237.303 1.080 20 0 BDADLO Cc1[nH]nc(C[NH+]2CCC(C3(O)CC3)CC2)c1C ZINC000895134287 583601976 /nfs/dbraw/zinc/60/19/76/583601976.db2.gz ZKABRBZZVPQMQR-UHFFFAOYSA-N 1 2 249.358 1.763 20 0 BDADLO FC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000895135147 583602047 /nfs/dbraw/zinc/60/20/47/583602047.db2.gz GTQMVTULAGYRSR-UHFFFAOYSA-N 1 2 220.251 1.668 20 0 BDADLO CSC1CC([NH2+][C@@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895201281 583623960 /nfs/dbraw/zinc/62/39/60/583623960.db2.gz MZEDHEDAMJKNNY-KKMMWDRVSA-N 1 2 242.348 1.065 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC1CCC=CCC1 ZINC000895208316 583625832 /nfs/dbraw/zinc/62/58/32/583625832.db2.gz QVHICBBXCXAALY-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO COc1cccc(OC)c1C[NH2+]Cc1cnc[nH]1 ZINC000895247729 583632536 /nfs/dbraw/zinc/63/25/36/583632536.db2.gz HLKPYGOFLZGANX-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO COCC[N@H+](CCF)Cc1ocnc1C ZINC000895250633 583633145 /nfs/dbraw/zinc/63/31/45/583633145.db2.gz GMJGWZUKXDHZJN-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO COCC[N@@H+](CCF)Cc1ocnc1C ZINC000895250633 583633147 /nfs/dbraw/zinc/63/31/47/583633147.db2.gz GMJGWZUKXDHZJN-UHFFFAOYSA-N 1 2 216.256 1.401 20 0 BDADLO CNc1cc(CNc2cc(C)ncn2)cc[nH+]1 ZINC000895255854 583633828 /nfs/dbraw/zinc/63/38/28/583633828.db2.gz QJSMQQAGJXUZLB-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO Cc1cnc(C[NH2+]C[C@H]2CC(C)=NO2)o1 ZINC000895299247 583640689 /nfs/dbraw/zinc/64/06/89/583640689.db2.gz AOADRLRTDVDABI-SECBINFHSA-N 1 2 209.249 1.237 20 0 BDADLO CN1CCC[C@H]([N@@H+]2Cc3ccncc3C2)C1=O ZINC000857879258 588918119 /nfs/dbraw/zinc/91/81/19/588918119.db2.gz XSEVLTOYSNPFTD-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO CN1CCC[C@H]([N@H+]2Cc3ccncc3C2)C1=O ZINC000857879258 588918120 /nfs/dbraw/zinc/91/81/20/588918120.db2.gz XSEVLTOYSNPFTD-LBPRGKRZSA-N 1 2 231.299 1.018 20 0 BDADLO CC1=NO[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000895304878 583643043 /nfs/dbraw/zinc/64/30/43/583643043.db2.gz NCXJKYLODZWXHC-QMMMGPOBSA-N 1 2 242.710 1.328 20 0 BDADLO Cc1coc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000895333858 583652821 /nfs/dbraw/zinc/65/28/21/583652821.db2.gz GXXOTTNQHSDIRX-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO Cc1coc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000895333858 583652822 /nfs/dbraw/zinc/65/28/22/583652822.db2.gz GXXOTTNQHSDIRX-UHFFFAOYSA-N 1 2 229.283 1.936 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)C2(CO)CC2)n1 ZINC000895353291 583657200 /nfs/dbraw/zinc/65/72/00/583657200.db2.gz GDXXZHDDWHTFTM-UHFFFAOYSA-N 1 2 223.320 1.490 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)C2(CO)CC2)n1 ZINC000895353291 583657202 /nfs/dbraw/zinc/65/72/02/583657202.db2.gz GDXXZHDDWHTFTM-UHFFFAOYSA-N 1 2 223.320 1.490 20 0 BDADLO COC(=O)C1(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC000857879845 588919448 /nfs/dbraw/zinc/91/94/48/588919448.db2.gz SPBOMFRLHMUQTR-UHFFFAOYSA-N 1 2 232.283 1.350 20 0 BDADLO COC(=O)C1(C[N@H+]2Cc3ccncc3C2)CC1 ZINC000857879845 588919449 /nfs/dbraw/zinc/91/94/49/588919449.db2.gz SPBOMFRLHMUQTR-UHFFFAOYSA-N 1 2 232.283 1.350 20 0 BDADLO CC1(C)OC[C@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000857882289 588919831 /nfs/dbraw/zinc/91/98/31/588919831.db2.gz QBUFVWLBAMCLAM-LBPRGKRZSA-N 1 2 234.299 1.549 20 0 BDADLO CC1(C)OC[C@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000857882289 588919832 /nfs/dbraw/zinc/91/98/32/588919832.db2.gz QBUFVWLBAMCLAM-LBPRGKRZSA-N 1 2 234.299 1.549 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1CC1CCOCC1 ZINC000895431434 583670305 /nfs/dbraw/zinc/67/03/05/583670305.db2.gz MYCIYZOVUDCISS-VIFPVBQESA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1CC1CCOCC1 ZINC000895431434 583670306 /nfs/dbraw/zinc/67/03/06/583670306.db2.gz MYCIYZOVUDCISS-VIFPVBQESA-N 1 2 205.248 1.752 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@H]1C(F)F)[C@H]1CCOC1 ZINC000895431338 583670339 /nfs/dbraw/zinc/67/03/39/583670339.db2.gz LGRCDHWOZGPVJD-LPEHRKFASA-N 1 2 235.274 1.377 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@H]1C(F)F)[C@H]1CCOC1 ZINC000895431338 583670340 /nfs/dbraw/zinc/67/03/40/583670340.db2.gz LGRCDHWOZGPVJD-LPEHRKFASA-N 1 2 235.274 1.377 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H]2C(F)F)[nH+]c1C ZINC000895431862 583670652 /nfs/dbraw/zinc/67/06/52/583670652.db2.gz RCEJGWAQADEOMP-MRVPVSSYSA-N 1 2 215.247 1.866 20 0 BDADLO CC(C)c1c[nH]c(C[NH2+]C2(C)COC2)n1 ZINC000895442851 583674150 /nfs/dbraw/zinc/67/41/50/583674150.db2.gz FUYRSAWCCSPHEK-UHFFFAOYSA-N 1 2 209.293 1.412 20 0 BDADLO COC[C@H](C[N@@H+]1Cc2ccncc2C1)OC ZINC000857883105 588920640 /nfs/dbraw/zinc/92/06/40/588920640.db2.gz ZURIVFOOKSGMBT-LBPRGKRZSA-N 1 2 222.288 1.059 20 0 BDADLO COC[C@H](C[N@H+]1Cc2ccncc2C1)OC ZINC000857883105 588920642 /nfs/dbraw/zinc/92/06/42/588920642.db2.gz ZURIVFOOKSGMBT-LBPRGKRZSA-N 1 2 222.288 1.059 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000895474311 583679826 /nfs/dbraw/zinc/67/98/26/583679826.db2.gz VNXPAUZFJBKJJC-UHFFFAOYSA-N 1 2 247.277 1.206 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000895474311 583679827 /nfs/dbraw/zinc/67/98/27/583679827.db2.gz VNXPAUZFJBKJJC-UHFFFAOYSA-N 1 2 247.277 1.206 20 0 BDADLO C/C(=C/C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887600 588921150 /nfs/dbraw/zinc/92/11/50/588921150.db2.gz MZVZGHHKIZPVFT-NJHLSQGMSA-N 1 2 231.299 1.280 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857887852 588921458 /nfs/dbraw/zinc/92/14/58/588921458.db2.gz VFDAFUBZHYULBG-BNFOFFDWSA-N 1 2 219.288 1.280 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1nc(Cl)cs1)C2 ZINC000895654481 583700965 /nfs/dbraw/zinc/70/09/65/583700965.db2.gz RRGDARQVMTYXTK-RCOVLWMOSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1nc(Cl)cs1)C2 ZINC000895654481 583700967 /nfs/dbraw/zinc/70/09/67/583700967.db2.gz RRGDARQVMTYXTK-RCOVLWMOSA-N 1 2 230.720 1.363 20 0 BDADLO COc1ccc(CNCc2[nH]cc[nH+]2)o1 ZINC000895704179 583710301 /nfs/dbraw/zinc/71/03/01/583710301.db2.gz KZPKTORUKWLJGC-UHFFFAOYSA-N 1 2 207.233 1.301 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000895704179 583710302 /nfs/dbraw/zinc/71/03/02/583710302.db2.gz KZPKTORUKWLJGC-UHFFFAOYSA-N 1 2 207.233 1.301 20 0 BDADLO Cc1noc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000895766636 583719342 /nfs/dbraw/zinc/71/93/42/583719342.db2.gz WGKCULYRVKHINB-QMMMGPOBSA-N 1 2 238.291 1.189 20 0 BDADLO Cc1noc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000895766636 583719344 /nfs/dbraw/zinc/71/93/44/583719344.db2.gz WGKCULYRVKHINB-QMMMGPOBSA-N 1 2 238.291 1.189 20 0 BDADLO Cc1nc(N2CCO[C@H](C)CC2)cc[nH+]1 ZINC000895758378 583721345 /nfs/dbraw/zinc/72/13/45/583721345.db2.gz QPDBKNFQUCDWJQ-SECBINFHSA-N 1 2 207.277 1.400 20 0 BDADLO CC(=O)c1nc(NC[C@H]2CC[N@H+]2C)sc1C ZINC000895769926 583724383 /nfs/dbraw/zinc/72/43/83/583724383.db2.gz WCBIJMBKQHONQQ-SECBINFHSA-N 1 2 239.344 1.770 20 0 BDADLO CC(=O)c1nc(NC[C@H]2CC[N@@H+]2C)sc1C ZINC000895769926 583724384 /nfs/dbraw/zinc/72/43/84/583724384.db2.gz WCBIJMBKQHONQQ-SECBINFHSA-N 1 2 239.344 1.770 20 0 BDADLO COCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895810303 583730601 /nfs/dbraw/zinc/73/06/01/583730601.db2.gz LWHHQUBTIWQEHF-UHFFFAOYSA-N 1 2 239.319 1.031 20 0 BDADLO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCOC1=O ZINC000895803055 583731459 /nfs/dbraw/zinc/73/14/59/583731459.db2.gz AUURATPSFREVBD-ONGXEEELSA-N 1 2 223.272 1.506 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC=CO1 ZINC000857947863 588925047 /nfs/dbraw/zinc/92/50/47/588925047.db2.gz DQLKUENICIUIOH-JQWIXIFHSA-N 1 2 247.298 1.007 20 0 BDADLO CC(C)[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895803671 583731742 /nfs/dbraw/zinc/73/17/42/583731742.db2.gz DULVIQWSKMYNKJ-OUAUKWLOSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1ccc(CCC[NH2+][C@H]2CCOC2=O)cn1 ZINC000895804710 583732234 /nfs/dbraw/zinc/73/22/34/583732234.db2.gz VSCVUYHLTJPVEG-LBPRGKRZSA-N 1 2 234.299 1.228 20 0 BDADLO CC/C=C(/C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977403 588925341 /nfs/dbraw/zinc/92/53/41/588925341.db2.gz DHZRLIRINORAJH-ZUYFITGHSA-N 1 2 219.288 1.800 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857965834 588925701 /nfs/dbraw/zinc/92/57/01/588925701.db2.gz ROSXZIXUNRDQHX-JWVODRKRSA-N 1 2 231.299 1.446 20 0 BDADLO CS/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857962806 588925866 /nfs/dbraw/zinc/92/58/66/588925866.db2.gz MTDHVMXPAVBFRR-HYYFJVDXSA-N 1 2 237.328 1.191 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000895905558 583744132 /nfs/dbraw/zinc/74/41/32/583744132.db2.gz NXCCNPIRAKFYTG-GXSJLCMTSA-N 1 2 248.330 1.745 20 0 BDADLO C[C@H]1COC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000895905558 583744135 /nfs/dbraw/zinc/74/41/35/583744135.db2.gz NXCCNPIRAKFYTG-GXSJLCMTSA-N 1 2 248.330 1.745 20 0 BDADLO O=C(C[C@H]1CCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857976638 588926292 /nfs/dbraw/zinc/92/62/92/588926292.db2.gz IOSJNSHVDPWPSM-ZJUUUORDSA-N 1 2 235.287 1.013 20 0 BDADLO Cc1cc(N2CCC[C@@H]2c2ncccn2)nc[nH+]1 ZINC000895945156 583751131 /nfs/dbraw/zinc/75/11/31/583751131.db2.gz QRSNVQDKXJTDOL-LLVKDONJSA-N 1 2 241.298 1.917 20 0 BDADLO CC(C)OC1C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000895951055 583751351 /nfs/dbraw/zinc/75/13/51/583751351.db2.gz BQMCIZXDPTYEFM-UHFFFAOYSA-N 1 2 248.326 1.395 20 0 BDADLO Cc1ccc(C[NH+]2CC(OC(C)C)C2)nc1 ZINC000895955539 583752632 /nfs/dbraw/zinc/75/26/32/583752632.db2.gz QKTSBIHWLLDHQR-UHFFFAOYSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccncc1C[NH+]1CC(OC(C)C)C1 ZINC000895955946 583752782 /nfs/dbraw/zinc/75/27/82/583752782.db2.gz ZHQBQOSFDGSPOO-UHFFFAOYSA-N 1 2 220.316 1.999 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccsn1 ZINC000857976947 588926567 /nfs/dbraw/zinc/92/65/67/588926567.db2.gz OZZUFDFYXOJBRK-SSDOTTSWSA-N 1 2 234.284 1.214 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@H](OC)C1 ZINC000895968192 583754415 /nfs/dbraw/zinc/75/44/15/583754415.db2.gz JHYBBKLGVMMRSR-NSHDSACASA-N 1 2 243.328 1.561 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@H](OC)C1 ZINC000895968192 583754417 /nfs/dbraw/zinc/75/44/17/583754417.db2.gz JHYBBKLGVMMRSR-NSHDSACASA-N 1 2 243.328 1.561 20 0 BDADLO CCc1nc(C[NH+]2CC(COC)C2)cs1 ZINC000895971633 583756468 /nfs/dbraw/zinc/75/64/68/583756468.db2.gz MQIXNYYCWMAYLR-UHFFFAOYSA-N 1 2 226.345 1.784 20 0 BDADLO COC/C(C)=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979695 588927141 /nfs/dbraw/zinc/92/71/41/588927141.db2.gz YXCXVHHJGXUEQB-NAZIUFLLSA-N 1 2 235.287 1.037 20 0 BDADLO Cn1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857980196 588927200 /nfs/dbraw/zinc/92/72/00/588927200.db2.gz JZMGGGCJXXHBHW-SNVBAGLBSA-N 1 2 230.271 1.096 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980308 588927411 /nfs/dbraw/zinc/92/74/11/588927411.db2.gz XDBSVXZEGOYLFB-ZJUUUORDSA-N 1 2 221.304 1.880 20 0 BDADLO COc1ccc(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000896046829 583765846 /nfs/dbraw/zinc/76/58/46/583765846.db2.gz YINALZUPKUNXBI-UHFFFAOYSA-N 1 2 248.286 1.286 20 0 BDADLO COc1ccc(C[N@H+]2CCCn3nncc3C2)o1 ZINC000896046829 583765847 /nfs/dbraw/zinc/76/58/47/583765847.db2.gz YINALZUPKUNXBI-UHFFFAOYSA-N 1 2 248.286 1.286 20 0 BDADLO O=C(Cc1ccco1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980736 588927566 /nfs/dbraw/zinc/92/75/66/588927566.db2.gz OVYPHISJWLTWJI-SNVBAGLBSA-N 1 2 231.255 1.280 20 0 BDADLO CSC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857979171 588927711 /nfs/dbraw/zinc/92/77/11/588927711.db2.gz NSSSZDGTELRUHC-MRVPVSSYSA-N 1 2 237.328 1.340 20 0 BDADLO CC(C)(F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981292 588927812 /nfs/dbraw/zinc/92/78/12/588927812.db2.gz ZAFYBFWOSHUIGZ-ZETCQYMHSA-N 1 2 211.240 1.192 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCO1 ZINC000857982649 588928135 /nfs/dbraw/zinc/92/81/35/588928135.db2.gz KWABOUNOHIEVHS-BXKDBHETSA-N 1 2 235.287 1.013 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981926 588928204 /nfs/dbraw/zinc/92/82/04/588928204.db2.gz CMLLPXPTTZXTJS-JTQLQIEISA-N 1 2 230.271 1.394 20 0 BDADLO O=C(CCOCC1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857982149 588928266 /nfs/dbraw/zinc/92/82/66/588928266.db2.gz GISCWKOENGQXTE-NSHDSACASA-N 1 2 249.314 1.261 20 0 BDADLO O=C1C[C@@H](CCNc2cccc[nH+]2)CN1 ZINC000896142460 583774380 /nfs/dbraw/zinc/77/43/80/583774380.db2.gz RYBRXUDJRIPBEP-SECBINFHSA-N 1 2 205.261 1.020 20 0 BDADLO C[C@@H](O)c1ccc(NCC[C@H]2CNC(=O)C2)[nH+]c1 ZINC000896133333 583775019 /nfs/dbraw/zinc/77/50/19/583775019.db2.gz FVQQRFYDLFUPDB-NXEZZACHSA-N 1 2 249.314 1.073 20 0 BDADLO COC1(c2noc(C3([NH+](C)C)CC3)n2)CCC1 ZINC000896156699 583776059 /nfs/dbraw/zinc/77/60/59/583776059.db2.gz GLNUBUIPJDSAOQ-UHFFFAOYSA-N 1 2 237.303 1.646 20 0 BDADLO C[C@H]1CO[C@@H](c2nc(Cc3c[nH+]cn3C)no2)C1 ZINC000896165512 583776595 /nfs/dbraw/zinc/77/65/95/583776595.db2.gz MYLHWEYVTMNVFD-PSASIEDQSA-N 1 2 248.286 1.491 20 0 BDADLO Fc1c[nH+]ccc1NCC1CC2(C1)OCCO2 ZINC000896150525 583776639 /nfs/dbraw/zinc/77/66/39/583776639.db2.gz BKVMLUOFQWJVOU-UHFFFAOYSA-N 1 2 238.262 1.208 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cn1nc2ccccn2c1=O ZINC000727824120 583778781 /nfs/dbraw/zinc/77/87/81/583778781.db2.gz MFBFZXPUPFTVNH-LLVKDONJSA-N 1 2 246.314 1.328 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cn1nc2ccccn2c1=O ZINC000727824120 583778782 /nfs/dbraw/zinc/77/87/82/583778782.db2.gz MFBFZXPUPFTVNH-LLVKDONJSA-N 1 2 246.314 1.328 20 0 BDADLO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)O1 ZINC000857983791 588928884 /nfs/dbraw/zinc/92/88/84/588928884.db2.gz VFXGBDIIRXRYER-CKYFFXLPSA-N 1 2 249.314 1.402 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)[nH]1 ZINC000857988360 588929042 /nfs/dbraw/zinc/92/90/42/588929042.db2.gz FAAZRAAHHATCAA-NSHDSACASA-N 1 2 244.298 1.703 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987302 588929435 /nfs/dbraw/zinc/92/94/35/588929435.db2.gz TWNXRACSLMOMHC-UWVGGRQHSA-N 1 2 221.304 1.736 20 0 BDADLO C/C=C\C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000727865260 583788228 /nfs/dbraw/zinc/78/82/28/583788228.db2.gz MWQFQOYZNDLXFS-IHWYPQMZSA-N 1 2 247.220 1.638 20 0 BDADLO Cc1cc(N2CCC(O)(C3CCC3)CC2)nc[nH+]1 ZINC000896318827 583791242 /nfs/dbraw/zinc/79/12/42/583791242.db2.gz INXCVBPLFDCULL-UHFFFAOYSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC000857989594 588929683 /nfs/dbraw/zinc/92/96/83/588929683.db2.gz OTIBZIWFVPURSY-JTQLQIEISA-N 1 2 242.282 1.461 20 0 BDADLO CC(C)(C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857990321 588929740 /nfs/dbraw/zinc/92/97/40/588929740.db2.gz NNTCUPIYTDOWPR-VIFPVBQESA-N 1 2 221.304 1.880 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccco1 ZINC000857990063 588929820 /nfs/dbraw/zinc/92/98/20/588929820.db2.gz MLAKIZXPRDUFLO-QMMMGPOBSA-N 1 2 217.228 1.351 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccoc1 ZINC000857989378 588930080 /nfs/dbraw/zinc/93/00/80/588930080.db2.gz QKLULKUYHXXYPT-SECBINFHSA-N 1 2 217.228 1.351 20 0 BDADLO Cc1ccoc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989948 588930106 /nfs/dbraw/zinc/93/01/06/588930106.db2.gz UOBXFEZPTSVDBU-SECBINFHSA-N 1 2 231.255 1.659 20 0 BDADLO CC(C)SCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989861 588930113 /nfs/dbraw/zinc/93/01/13/588930113.db2.gz QJKKLTIJVVXGLC-VIFPVBQESA-N 1 2 239.344 1.586 20 0 BDADLO CCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995066 588930153 /nfs/dbraw/zinc/93/01/53/588930153.db2.gz YLPGPKCSYLICCE-UHFFFAOYSA-N 1 2 205.261 1.559 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)c1cnco1)CCN2 ZINC000857999683 588930603 /nfs/dbraw/zinc/93/06/03/588930603.db2.gz IZTNYXPVDFMEPD-UHFFFAOYSA-N 1 2 244.254 1.450 20 0 BDADLO CCc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC000896519891 583808549 /nfs/dbraw/zinc/80/85/49/583808549.db2.gz ZWFKTXYEGPFXCL-SECBINFHSA-N 1 2 223.276 1.270 20 0 BDADLO CCc1cc(NC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC000896519891 583808550 /nfs/dbraw/zinc/80/85/50/583808550.db2.gz ZWFKTXYEGPFXCL-SECBINFHSA-N 1 2 223.276 1.270 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnc(Cl)n2C)CCO1 ZINC000896577797 583814379 /nfs/dbraw/zinc/81/43/79/583814379.db2.gz PCAPPDDAZJRCSH-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnc(Cl)n2C)CCO1 ZINC000896577797 583814381 /nfs/dbraw/zinc/81/43/81/583814381.db2.gz PCAPPDDAZJRCSH-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CCCn1cc(C[N@@H+]2CCO[C@H](C)CC2)nn1 ZINC000896579450 583814780 /nfs/dbraw/zinc/81/47/80/583814780.db2.gz PANIRDLAESFHMY-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1cc(C[N@H+]2CCO[C@H](C)CC2)nn1 ZINC000896579450 583814782 /nfs/dbraw/zinc/81/47/82/583814782.db2.gz PANIRDLAESFHMY-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ccc(C)nn1)C2 ZINC000896652633 583820767 /nfs/dbraw/zinc/82/07/67/583820767.db2.gz DFKIMJWMRMDTBA-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1nnc(C)s1)C2 ZINC000896660236 583820813 /nfs/dbraw/zinc/82/08/13/583820813.db2.gz LTTIOAUFLCWHTI-UHFFFAOYSA-N 1 2 249.343 1.626 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1ncc(C)cn1)C2 ZINC000896653838 583821481 /nfs/dbraw/zinc/82/14/81/583821481.db2.gz LALQYJZTSGKXDV-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)c(O)c1 ZINC000336157796 583843856 /nfs/dbraw/zinc/84/38/56/583843856.db2.gz MUGBSBWMUXKWQS-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO Cc1[nH]c(CNC(=O)C[C@H]2CCCO2)[nH+]c1C ZINC000896908329 583851951 /nfs/dbraw/zinc/85/19/51/583851951.db2.gz ZTIILFJOKNGIQE-SNVBAGLBSA-N 1 2 237.303 1.212 20 0 BDADLO CCc1[nH]ccc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896909681 583852343 /nfs/dbraw/zinc/85/23/43/583852343.db2.gz CPIAPWIQFLKYFF-UHFFFAOYSA-N 1 2 246.314 1.847 20 0 BDADLO Cc1[nH]c(CNC(=O)C(C)(C)F)[nH+]c1C ZINC000896912705 583853537 /nfs/dbraw/zinc/85/35/37/583853537.db2.gz DGCHXUODQOVXRC-UHFFFAOYSA-N 1 2 213.256 1.391 20 0 BDADLO COC[C@@H](C)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896916825 583855384 /nfs/dbraw/zinc/85/53/84/583855384.db2.gz KLONVUJXWHDRIO-QMMMGPOBSA-N 1 2 239.319 1.315 20 0 BDADLO Cc1[nH]c(CNC(=O)CCc2ccoc2)[nH+]c1C ZINC000896917219 583855596 /nfs/dbraw/zinc/85/55/96/583855596.db2.gz SGGFIEYGWMOPLI-UHFFFAOYSA-N 1 2 247.298 1.869 20 0 BDADLO Cc1[nH]nc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c1C ZINC000896919565 583855794 /nfs/dbraw/zinc/85/57/94/583855794.db2.gz SCMKDMOKEYBBAP-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO CCCC[C@H](CC)[NH2+]CC(=O)NOC ZINC000896925815 583857980 /nfs/dbraw/zinc/85/79/80/583857980.db2.gz ANHGYELCWPCDPU-VIFPVBQESA-N 1 2 202.298 1.222 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000896927026 583858557 /nfs/dbraw/zinc/85/85/57/583858557.db2.gz OEKLVVNLJYGDCW-BDAKNGLRSA-N 1 2 246.376 1.174 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc[nH]2)[nH+]c1C ZINC000896928183 583859186 /nfs/dbraw/zinc/85/91/86/583859186.db2.gz RLEKZCHBFMIHMR-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO CCc1nc(N2CCC[C@H]2C2OCCO2)cc[nH+]1 ZINC000897003824 583868956 /nfs/dbraw/zinc/86/89/56/583868956.db2.gz HKPOAQQFMUZYMV-JTQLQIEISA-N 1 2 249.314 1.381 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000869455913 583878535 /nfs/dbraw/zinc/87/85/35/583878535.db2.gz JIGUYONEZXYXOG-ZMWSMAPVSA-N 1 2 246.301 1.656 20 0 BDADLO C/C=C\CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000869455913 583878536 /nfs/dbraw/zinc/87/85/36/583878536.db2.gz JIGUYONEZXYXOG-ZMWSMAPVSA-N 1 2 246.301 1.656 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1cc(N(C)C)[nH+]cn1 ZINC000897142568 583883546 /nfs/dbraw/zinc/88/35/46/583883546.db2.gz OJRCXMFFDOGCGR-VHSXEESVSA-N 1 2 236.319 1.156 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1cc(N(C)C)nc[nH+]1 ZINC000897142568 583883548 /nfs/dbraw/zinc/88/35/48/583883548.db2.gz OJRCXMFFDOGCGR-VHSXEESVSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@H](CC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000728544663 583896413 /nfs/dbraw/zinc/89/64/13/583896413.db2.gz KGIYYJCUSITYKS-SECBINFHSA-N 1 2 221.304 1.473 20 0 BDADLO OCCC1CC(Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000897233169 583899387 /nfs/dbraw/zinc/89/93/87/583899387.db2.gz FSVXYDCJVZRKEB-UHFFFAOYSA-N 1 2 248.330 1.624 20 0 BDADLO OCCC1CC(Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000897233169 583899389 /nfs/dbraw/zinc/89/93/89/583899389.db2.gz FSVXYDCJVZRKEB-UHFFFAOYSA-N 1 2 248.330 1.624 20 0 BDADLO C[C@H](O)c1ccc(N2CC[C@@H](O)[C@H](F)C2)[nH+]c1 ZINC000897378518 583946286 /nfs/dbraw/zinc/94/62/86/583946286.db2.gz CNRLVPIKDLWQIB-JMJZKYOTSA-N 1 2 240.278 1.044 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cccc(=O)[nH]1 ZINC000897391496 583948289 /nfs/dbraw/zinc/94/82/89/583948289.db2.gz RHBWAYYTSACZNJ-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1cncc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391496 583948291 /nfs/dbraw/zinc/94/82/91/583948291.db2.gz RHBWAYYTSACZNJ-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO CCn1cncc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391496 583948293 /nfs/dbraw/zinc/94/82/93/583948293.db2.gz RHBWAYYTSACZNJ-UHFFFAOYSA-N 1 2 246.314 1.636 20 0 BDADLO Cc1nc(N[C@@H]2CC=CC[C@H]2C)nc(N)[nH+]1 ZINC000897392773 583948654 /nfs/dbraw/zinc/94/86/54/583948654.db2.gz NOSZCFKIAVBFFQ-VXNVDRBHSA-N 1 2 219.292 1.529 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC=CC[C@H]2C)[nH+]1 ZINC000897392773 583948656 /nfs/dbraw/zinc/94/86/56/583948656.db2.gz NOSZCFKIAVBFFQ-VXNVDRBHSA-N 1 2 219.292 1.529 20 0 BDADLO c1ccc(N[C@H]2COC[C@H]2C2CC2)[nH+]c1 ZINC000897441586 583984623 /nfs/dbraw/zinc/98/46/23/583984623.db2.gz HCSSGDPSZYYMTF-QWRGUYRKSA-N 1 2 204.273 1.919 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2COC[C@@H]2C2CC2)[nH+]1 ZINC000897449571 583987215 /nfs/dbraw/zinc/98/72/15/583987215.db2.gz ANFNVOZXKTWVMQ-UFGOTCBOSA-N 1 2 248.326 1.972 20 0 BDADLO CN(C)c1cc(NC/C=C\Cl)[nH+]cn1 ZINC000897501177 583997815 /nfs/dbraw/zinc/99/78/15/583997815.db2.gz OOSXOGJRESRJHL-ARJAWSKDSA-N 1 2 212.684 1.707 20 0 BDADLO CN(C)c1cc(NC/C=C\Cl)nc[nH+]1 ZINC000897501177 583997816 /nfs/dbraw/zinc/99/78/16/583997816.db2.gz OOSXOGJRESRJHL-ARJAWSKDSA-N 1 2 212.684 1.707 20 0 BDADLO COc1c(N)[nH+]cnc1NC/C=C\Cl ZINC000897504777 583998404 /nfs/dbraw/zinc/99/84/04/583998404.db2.gz ZNEBYZZDSSMFDS-IHWYPQMZSA-N 1 2 214.656 1.232 20 0 BDADLO COc1c(N)nc[nH+]c1NC/C=C\Cl ZINC000897504777 583998406 /nfs/dbraw/zinc/99/84/06/583998406.db2.gz ZNEBYZZDSSMFDS-IHWYPQMZSA-N 1 2 214.656 1.232 20 0 BDADLO COc1ccc2ccc(NC[C@@H](O)CO)[nH+]c2c1 ZINC000897552920 584017536 /nfs/dbraw/zinc/01/75/36/584017536.db2.gz YHQDSKNDTPFAQM-SNVBAGLBSA-N 1 2 248.282 1.009 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c[nH+]1 ZINC000889593926 584023578 /nfs/dbraw/zinc/02/35/78/584023578.db2.gz RPTBCVUKOCRHBN-IVZWLZJFSA-N 1 2 219.288 1.637 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000897679017 584037600 /nfs/dbraw/zinc/03/76/00/584037600.db2.gz HJMGHVLCSWJVMM-RNFRBKRXSA-N 1 2 232.736 1.609 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)C[C@H]1O ZINC000897679017 584037602 /nfs/dbraw/zinc/03/76/02/584037602.db2.gz HJMGHVLCSWJVMM-RNFRBKRXSA-N 1 2 232.736 1.609 20 0 BDADLO Cc1ccncc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000842046387 584043276 /nfs/dbraw/zinc/04/32/76/584043276.db2.gz CNLLKBFPHXJYDT-NSHDSACASA-N 1 2 235.287 1.567 20 0 BDADLO O=C1CCCN1C1C[NH+](Cc2ccccc2F)C1 ZINC000897786473 584048141 /nfs/dbraw/zinc/04/81/41/584048141.db2.gz PQFQTHDIMCMYTE-UHFFFAOYSA-N 1 2 248.301 1.632 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CO[C@H](C)C1)C(=O)OC ZINC000897834725 584052505 /nfs/dbraw/zinc/05/25/05/584052505.db2.gz XYWCXBAIIXUEEV-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000897834452 584052572 /nfs/dbraw/zinc/05/25/72/584052572.db2.gz PEYLYDJFMDGEEI-BBBLOLIVSA-N 1 2 231.361 1.669 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC ZINC000897835402 584053039 /nfs/dbraw/zinc/05/30/39/584053039.db2.gz DEDLVUAZNJZYOT-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1CO[C@H](CC)C1)C(=O)OC ZINC000897834145 584053109 /nfs/dbraw/zinc/05/31/09/584053109.db2.gz KRYOLKSFRFAPEZ-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO CCc1cc(C(=O)NCc2[nH+]ccn2CC)no1 ZINC000897891112 584057621 /nfs/dbraw/zinc/05/76/21/584057621.db2.gz PJRWGTHWLQUFTN-UHFFFAOYSA-N 1 2 248.286 1.383 20 0 BDADLO CC1(C)CCC[C@H](C[NH2+]Cc2ccn[nH]2)O1 ZINC000898049498 584073535 /nfs/dbraw/zinc/07/35/35/584073535.db2.gz HSBCJZPFQNEOLJ-LLVKDONJSA-N 1 2 223.320 1.847 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccnn2C2CCC2)c1 ZINC000898042812 584080518 /nfs/dbraw/zinc/08/05/18/584080518.db2.gz YNPYOQIORJOMEV-UHFFFAOYSA-N 1 2 245.330 1.631 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2cn(C)cn2)o1 ZINC000898042624 584080826 /nfs/dbraw/zinc/08/08/26/584080826.db2.gz UQAQZTQRBOAQBG-UHFFFAOYSA-N 1 2 235.287 1.702 20 0 BDADLO COCc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898188024 584094014 /nfs/dbraw/zinc/09/40/14/584094014.db2.gz NMUHYDRJKPJKOP-RYUDHWBXSA-N 1 2 243.278 1.331 20 0 BDADLO COCc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)o1 ZINC000898188024 584094015 /nfs/dbraw/zinc/09/40/15/584094015.db2.gz NMUHYDRJKPJKOP-RYUDHWBXSA-N 1 2 243.278 1.331 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1F ZINC000898187527 584094361 /nfs/dbraw/zinc/09/43/61/584094361.db2.gz GKVWSHPHQLEVPB-JQWIXIFHSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1F ZINC000898187527 584094362 /nfs/dbraw/zinc/09/43/62/584094362.db2.gz GKVWSHPHQLEVPB-JQWIXIFHSA-N 1 2 243.253 1.436 20 0 BDADLO Cc1c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)ccnc1F ZINC000898189532 584094939 /nfs/dbraw/zinc/09/49/39/584094939.db2.gz VFAIFPYACCTKEC-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)ccnc1F ZINC000898189532 584094940 /nfs/dbraw/zinc/09/49/40/584094940.db2.gz VFAIFPYACCTKEC-GHMZBOCLSA-N 1 2 242.269 1.434 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)n1 ZINC000898192209 584095372 /nfs/dbraw/zinc/09/53/72/584095372.db2.gz GWEYUEILIXURCN-MWLCHTKSSA-N 1 2 240.278 1.000 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)s1 ZINC000898191749 584095436 /nfs/dbraw/zinc/09/54/36/584095436.db2.gz FAABPQURVPNZAD-ZJUUUORDSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@H](O)[C@H](F)C2)s1 ZINC000898191749 584095437 /nfs/dbraw/zinc/09/54/37/584095437.db2.gz FAABPQURVPNZAD-ZJUUUORDSA-N 1 2 244.335 1.610 20 0 BDADLO O[C@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000898192975 584096517 /nfs/dbraw/zinc/09/65/17/584096517.db2.gz NFWZLSPOHSIHJP-MFKMUULPSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000898192975 584096519 /nfs/dbraw/zinc/09/65/19/584096519.db2.gz NFWZLSPOHSIHJP-MFKMUULPSA-N 1 2 249.289 1.468 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000898260505 584103306 /nfs/dbraw/zinc/10/33/06/584103306.db2.gz GEUHALJTOLTSTH-YUSALJHKSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000898260505 584103307 /nfs/dbraw/zinc/10/33/07/584103307.db2.gz GEUHALJTOLTSTH-YUSALJHKSA-N 1 2 248.330 1.740 20 0 BDADLO CCCOC(=O)CCNc1nc[nH+]c2c1CCC2 ZINC000730108470 584123468 /nfs/dbraw/zinc/12/34/68/584123468.db2.gz NIFBEUAVDARNOY-UHFFFAOYSA-N 1 2 249.314 1.721 20 0 BDADLO CC(C)n1cc(C[NH2+]C/C=C/Cl)nn1 ZINC000898426843 584132215 /nfs/dbraw/zinc/13/22/15/584132215.db2.gz AUGZCCJGVLSLJI-ONEGZZNKSA-N 1 2 214.700 1.701 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898485253 584139131 /nfs/dbraw/zinc/13/91/31/584139131.db2.gz DVWVRGZDKKFNCQ-MNOVXSKESA-N 1 2 230.327 1.583 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898485253 584139133 /nfs/dbraw/zinc/13/91/33/584139133.db2.gz DVWVRGZDKKFNCQ-MNOVXSKESA-N 1 2 230.327 1.583 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488985 584139687 /nfs/dbraw/zinc/13/96/87/584139687.db2.gz LGBDOIRYFSDUSM-NXEZZACHSA-N 1 2 248.367 1.288 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488985 584139688 /nfs/dbraw/zinc/13/96/88/584139688.db2.gz LGBDOIRYFSDUSM-NXEZZACHSA-N 1 2 248.367 1.288 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494390 584140112 /nfs/dbraw/zinc/14/01/12/584140112.db2.gz AIRRVMDPSPORSB-MNOVXSKESA-N 1 2 242.338 1.583 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494390 584140114 /nfs/dbraw/zinc/14/01/14/584140114.db2.gz AIRRVMDPSPORSB-MNOVXSKESA-N 1 2 242.338 1.583 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc[nH]c1 ZINC000898494558 584140166 /nfs/dbraw/zinc/14/01/66/584140166.db2.gz NOJBRKWAEDYAGO-NSHDSACASA-N 1 2 239.294 1.178 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc[nH]c1 ZINC000898494558 584140169 /nfs/dbraw/zinc/14/01/69/584140169.db2.gz NOJBRKWAEDYAGO-NSHDSACASA-N 1 2 239.294 1.178 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898493878 584140203 /nfs/dbraw/zinc/14/02/03/584140203.db2.gz AWPBFQJUCMKWCP-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CCC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898493878 584140206 /nfs/dbraw/zinc/14/02/06/584140206.db2.gz AWPBFQJUCMKWCP-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898499746 584140523 /nfs/dbraw/zinc/14/05/23/584140523.db2.gz RACGOIKGJCEMPC-QWRGUYRKSA-N 1 2 248.317 1.531 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898499746 584140526 /nfs/dbraw/zinc/14/05/26/584140526.db2.gz RACGOIKGJCEMPC-QWRGUYRKSA-N 1 2 248.317 1.531 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CC(CC3CC3)C2)c1 ZINC000898616403 584145127 /nfs/dbraw/zinc/14/51/27/584145127.db2.gz RDWOQVHCSKXORG-UHFFFAOYSA-N 1 2 248.330 1.362 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCCC23CCC3)c1 ZINC000898612397 584146170 /nfs/dbraw/zinc/14/61/70/584146170.db2.gz LVOUPKRLKZSXSB-UHFFFAOYSA-N 1 2 248.330 1.648 20 0 BDADLO CN(C(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000898628860 584147311 /nfs/dbraw/zinc/14/73/11/584147311.db2.gz WXABYCOXPGJZHY-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC=C(F)C2)c1 ZINC000898620712 584147988 /nfs/dbraw/zinc/14/79/88/584147988.db2.gz SIRUVDYORMOPRX-UHFFFAOYSA-N 1 2 238.266 1.189 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2C=CCC2)c[nH+]1 ZINC000898669943 584148247 /nfs/dbraw/zinc/14/82/47/584148247.db2.gz TYVVRLQEBURLSR-LLVKDONJSA-N 1 2 233.315 1.761 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000898810288 584160037 /nfs/dbraw/zinc/16/00/37/584160037.db2.gz KBFRCEIAADNTMV-SRVKXCTJSA-N 1 2 245.326 1.880 20 0 BDADLO CC(C)CCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883003 584163671 /nfs/dbraw/zinc/16/36/71/584163671.db2.gz FQTOKJSEWFPAQV-JTQLQIEISA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)(CNC(=O)c1ccoc1)n1cc[nH+]c1 ZINC000898898736 584165519 /nfs/dbraw/zinc/16/55/19/584165519.db2.gz ANOWCEZXHCOEQB-UHFFFAOYSA-N 1 2 233.271 1.641 20 0 BDADLO CCn1cc(C[NH+]2CCC(F)(F)CC2)nn1 ZINC000899022743 584169851 /nfs/dbraw/zinc/16/98/51/584169851.db2.gz HBBQYJCCURCQRW-UHFFFAOYSA-N 1 2 230.262 1.529 20 0 BDADLO CCn1cc(C[N@@H+]2CCC=C(C)C2)nn1 ZINC000899165314 584178519 /nfs/dbraw/zinc/17/85/19/584178519.db2.gz BJNRRJNTKSSIJP-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1cc(C[N@H+]2CCC=C(C)C2)nn1 ZINC000899165314 584178521 /nfs/dbraw/zinc/17/85/21/584178521.db2.gz BJNRRJNTKSSIJP-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H]1C(C)C ZINC000899356988 584206183 /nfs/dbraw/zinc/20/61/83/584206183.db2.gz YOKYRBRBCOBDIH-LBPRGKRZSA-N 1 2 248.330 1.764 20 0 BDADLO CN(CCCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000899811861 584238977 /nfs/dbraw/zinc/23/89/77/584238977.db2.gz TVWOFEXSCOMJQW-JTQLQIEISA-N 1 2 239.294 1.264 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ncc[nH]1 ZINC000858603182 588970411 /nfs/dbraw/zinc/97/04/11/588970411.db2.gz SYJRIVOXIMQKAX-KOLCDFICSA-N 1 2 248.330 1.214 20 0 BDADLO C[C@H](Cc1cccs1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900166521 584281819 /nfs/dbraw/zinc/28/18/19/584281819.db2.gz KSNVQGYTIXYURD-SECBINFHSA-N 1 2 249.339 1.761 20 0 BDADLO C[C@H](Cc1cccs1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900166521 584281821 /nfs/dbraw/zinc/28/18/21/584281821.db2.gz KSNVQGYTIXYURD-SECBINFHSA-N 1 2 249.339 1.761 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000900214213 584286391 /nfs/dbraw/zinc/28/63/91/584286391.db2.gz BPXRMAIIESEBPU-WHXYTISESA-N 1 2 227.695 1.530 20 0 BDADLO CCN(C(=O)CNc1cccc[nH+]1)C(C)C ZINC000900295007 584292072 /nfs/dbraw/zinc/29/20/72/584292072.db2.gz RFFQRCQLGHTWHJ-UHFFFAOYSA-N 1 2 221.304 1.750 20 0 BDADLO C/C=C/[C@@H](O)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000900322421 584294774 /nfs/dbraw/zinc/29/47/74/584294774.db2.gz ISSZLMJRCRDTBG-DFVUYQKZSA-N 1 2 235.287 1.023 20 0 BDADLO Cc1ccsc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900388938 584300620 /nfs/dbraw/zinc/30/06/20/584300620.db2.gz VTYOIMZVJOYUCG-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1ccsc1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900388938 584300621 /nfs/dbraw/zinc/30/06/21/584300621.db2.gz VTYOIMZVJOYUCG-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO CCN(Cc1ccoc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900506873 584319707 /nfs/dbraw/zinc/31/97/07/584319707.db2.gz LRDJLOIBCVRNTB-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO Cn1c[nH+]c(Cn2cc(C3CCC3)nn2)c1 ZINC000900545314 584325257 /nfs/dbraw/zinc/32/52/57/584325257.db2.gz WVTCCFLDRAYFPQ-UHFFFAOYSA-N 1 2 217.276 1.327 20 0 BDADLO CCCCCC(=O)C(=O)Nc1cc[nH+]cc1C ZINC000900619678 584332997 /nfs/dbraw/zinc/33/29/97/584332997.db2.gz VKOADKZWOTUTRR-BTDICHCPSA-N 1 2 234.299 1.468 20 0 BDADLO CCOC(=O)C1=CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000858733417 588975540 /nfs/dbraw/zinc/97/55/40/588975540.db2.gz JIRZRBYUUWMZIC-LLVKDONJSA-N 1 2 247.298 1.849 20 0 BDADLO CC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000900635432 584334078 /nfs/dbraw/zinc/33/40/78/584334078.db2.gz RKSCKCLLLLGRPJ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC1(CNC(=O)Cc2c[nH+]c[nH]2)CCCC1 ZINC000900635432 584334079 /nfs/dbraw/zinc/33/40/79/584334079.db2.gz RKSCKCLLLLGRPJ-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO Cc1cc(NC(=O)c2nnc(C3CC3)o2)cc[nH+]1 ZINC000900670862 584339638 /nfs/dbraw/zinc/33/96/38/584339638.db2.gz GILUGUWYZAZHNI-UHFFFAOYSA-N 1 2 244.254 1.325 20 0 BDADLO CCC(C)(C)C(=O)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900715994 584344636 /nfs/dbraw/zinc/34/46/36/584344636.db2.gz FLGISXOFPQBGPA-UHFFFAOYSA-N 1 2 249.314 1.272 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1cnn(CC2CC2)c1 ZINC000900897932 584362588 /nfs/dbraw/zinc/36/25/88/584362588.db2.gz WIOZOGFAMOULPT-UHFFFAOYSA-N 1 2 245.286 1.197 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cnn(CC2CC2)c1 ZINC000900897932 584362589 /nfs/dbraw/zinc/36/25/89/584362589.db2.gz WIOZOGFAMOULPT-UHFFFAOYSA-N 1 2 245.286 1.197 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900909305 584364978 /nfs/dbraw/zinc/36/49/78/584364978.db2.gz QHJVZCJMUQFTJW-GXSJLCMTSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)[C@@H]1C ZINC000900944552 584368512 /nfs/dbraw/zinc/36/85/12/584368512.db2.gz DBXMUGHRRFXNMY-GHMZBOCLSA-N 1 2 233.315 1.750 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000900964172 584372104 /nfs/dbraw/zinc/37/21/04/584372104.db2.gz WZHPECQUFGXILY-JTQLQIEISA-N 1 2 244.298 1.267 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000900964172 584372105 /nfs/dbraw/zinc/37/21/05/584372105.db2.gz WZHPECQUFGXILY-JTQLQIEISA-N 1 2 244.298 1.267 20 0 BDADLO Cc1[nH]c(CNC(=O)CCC(C)(C)O)[nH+]c1C ZINC000900998999 584375030 /nfs/dbraw/zinc/37/50/30/584375030.db2.gz WPDJHHIVSVWPRQ-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO O=C(CCF)NCc1ccn2cc[nH+]c2c1 ZINC000901081989 584382534 /nfs/dbraw/zinc/38/25/34/584382534.db2.gz FYHGAUNVMOFLRK-UHFFFAOYSA-N 1 2 221.235 1.310 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1(C2CC2)CC1 ZINC000901187115 584393191 /nfs/dbraw/zinc/39/31/91/584393191.db2.gz QMBAMWXMNPNBEN-UHFFFAOYSA-N 1 2 219.288 1.259 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NCC1(C2CC2)CC1 ZINC000901187115 584393193 /nfs/dbraw/zinc/39/31/93/584393193.db2.gz QMBAMWXMNPNBEN-UHFFFAOYSA-N 1 2 219.288 1.259 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC12CCC2 ZINC000901299683 584418930 /nfs/dbraw/zinc/41/89/30/584418930.db2.gz GXROAYZTVMIUSI-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000901308260 584420639 /nfs/dbraw/zinc/42/06/39/584420639.db2.gz ZOCLISMMFJFXHF-ONGXEEELSA-N 1 2 221.304 1.742 20 0 BDADLO C[C@@H]1CC(NC(=O)Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000901284203 584421722 /nfs/dbraw/zinc/42/17/22/584421722.db2.gz WQJJFVDLRRBOQP-RKDXNWHRSA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1CC(NC(=O)Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000901284203 584421723 /nfs/dbraw/zinc/42/17/23/584421723.db2.gz WQJJFVDLRRBOQP-RKDXNWHRSA-N 1 2 237.303 1.024 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901330816 584424795 /nfs/dbraw/zinc/42/47/95/584424795.db2.gz NKSWKKLBFNQGGK-JTQLQIEISA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1F ZINC000901351939 584431610 /nfs/dbraw/zinc/43/16/10/584431610.db2.gz RLTNLYIIEOOMGJ-WPRPVWTQSA-N 1 2 225.267 1.159 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CCC[C@@H]2C(=O)[O-])c[nH+]1 ZINC000901453313 584443577 /nfs/dbraw/zinc/44/35/77/584443577.db2.gz MOPIUOXBROGRTO-CYBMUJFWSA-N 1 2 248.326 1.872 20 0 BDADLO Cc1ccc(CCC[N@H+]2CCC[C@@H]2C(=O)[O-])c[nH+]1 ZINC000901453313 584443578 /nfs/dbraw/zinc/44/35/78/584443578.db2.gz MOPIUOXBROGRTO-CYBMUJFWSA-N 1 2 248.326 1.872 20 0 BDADLO Cc1ccc(CCC[NH2+][C@@H](C(=O)[O-])C2CC2)c[nH+]1 ZINC000901476516 584448621 /nfs/dbraw/zinc/44/86/21/584448621.db2.gz IAEGNZJWOCRIAP-CYBMUJFWSA-N 1 2 248.326 1.775 20 0 BDADLO CC(C)c1c[nH]c(C=C2SC(=N)NC2=O)[nH+]1 ZINC000901538344 584460546 /nfs/dbraw/zinc/46/05/46/584460546.db2.gz DCCAFCOBLAIBEY-CLTKARDFSA-N 1 2 236.300 1.672 20 0 BDADLO N=C1NC(=O)/C(=C/c2cn(C3CC3)c[nH+]2)S1 ZINC000901539202 584460620 /nfs/dbraw/zinc/46/06/20/584460620.db2.gz IBUJNWYGCHVGGM-BAQGIRSFSA-N 1 2 234.284 1.357 20 0 BDADLO CCC[N@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000901608197 584469650 /nfs/dbraw/zinc/46/96/50/584469650.db2.gz CNVGHCBAHFXASD-UHFFFAOYSA-N 1 2 247.298 1.631 20 0 BDADLO CCC[N@@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000901608197 584469652 /nfs/dbraw/zinc/46/96/52/584469652.db2.gz CNVGHCBAHFXASD-UHFFFAOYSA-N 1 2 247.298 1.631 20 0 BDADLO Cc1[nH+]cc(C[NH2+][C@@](C)(CCF)C(=O)[O-])n1C ZINC000901914801 584503555 /nfs/dbraw/zinc/50/35/55/584503555.db2.gz DSZFIQULTAZMIF-NSHDSACASA-N 1 2 243.282 1.021 20 0 BDADLO c1cn(C2CC2)c(CNc2cccnn2)[nH+]1 ZINC000902075902 584519821 /nfs/dbraw/zinc/51/98/21/584519821.db2.gz NUFGOSBYKLGOGL-UHFFFAOYSA-N 1 2 215.260 1.620 20 0 BDADLO Cc1nc(NCc2cn(C(C)(C)C)nn2)cc[nH+]1 ZINC000902124754 584529216 /nfs/dbraw/zinc/52/92/16/584529216.db2.gz JUQZVLCDZIGHBP-UHFFFAOYSA-N 1 2 246.318 1.744 20 0 BDADLO CCCn1cc(CNc2cc(C)[nH+]cn2)nn1 ZINC000902193633 584536333 /nfs/dbraw/zinc/53/63/33/584536333.db2.gz ABIYRCMJHPPXNX-UHFFFAOYSA-N 1 2 232.291 1.399 20 0 BDADLO CCc1nocc1CNc1cc(C)[nH+]cn1 ZINC000902193990 584536884 /nfs/dbraw/zinc/53/68/84/584536884.db2.gz CYADGPUDSXZCLC-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO Cc1[nH]c(CNc2c(C)ccn(C)c2=O)[nH+]c1C ZINC000902256283 584544243 /nfs/dbraw/zinc/54/42/43/584544243.db2.gz GPHZLNHPSUHOMU-UHFFFAOYSA-N 1 2 246.314 1.646 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCSC(F)(F)F ZINC000902282222 584547253 /nfs/dbraw/zinc/54/72/53/584547253.db2.gz PHCOPSKBFLLFBV-RXMQYKEDSA-N 1 2 246.254 1.773 20 0 BDADLO CCc1cc(C[NH2+]Cc2cn(CC)cn2)on1 ZINC000902272862 584550064 /nfs/dbraw/zinc/55/00/64/584550064.db2.gz XEZMSPBNOASGDL-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO CCc1cc(CNCc2cn(CC)c[nH+]2)on1 ZINC000902272862 584550065 /nfs/dbraw/zinc/55/00/65/584550065.db2.gz XEZMSPBNOASGDL-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCOC2=O)C[C@H](CC)O1 ZINC000902300434 584553526 /nfs/dbraw/zinc/55/35/26/584553526.db2.gz MECSJLSQHSVTLG-PHIMTYICSA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCOC2=O)C[C@H](CC)O1 ZINC000902300434 584553528 /nfs/dbraw/zinc/55/35/28/584553528.db2.gz MECSJLSQHSVTLG-PHIMTYICSA-N 1 2 242.319 1.286 20 0 BDADLO CCCOC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000859055293 588994469 /nfs/dbraw/zinc/99/44/69/588994469.db2.gz HURADNKLKVHKMH-UHFFFAOYSA-N 1 2 223.276 1.325 20 0 BDADLO CCNC(=O)C[N@H+](CC)Cc1ccnc(F)c1 ZINC000859060605 588995386 /nfs/dbraw/zinc/99/53/86/588995386.db2.gz UBXNKLYSCWHYSQ-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCNC(=O)C[N@@H+](CC)Cc1ccnc(F)c1 ZINC000859060605 588995387 /nfs/dbraw/zinc/99/53/87/588995387.db2.gz UBXNKLYSCWHYSQ-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO c1c[nH+]c(COC[C@H]2C[C@@]23CCOC3)[nH]1 ZINC000902396370 584585108 /nfs/dbraw/zinc/58/51/08/584585108.db2.gz JUELHOSXPNHFIH-MWLCHTKSSA-N 1 2 208.261 1.353 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ccnc(F)c1 ZINC000859088639 588999860 /nfs/dbraw/zinc/99/98/60/588999860.db2.gz TWTGTRKRFXDNIO-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ccnc(F)c1 ZINC000859088639 588999861 /nfs/dbraw/zinc/99/98/61/588999861.db2.gz TWTGTRKRFXDNIO-UHFFFAOYSA-N 1 2 239.294 1.179 20 0 BDADLO CCSc1ccccc1CO[NH+]=C(N)CO ZINC000902540043 584627970 /nfs/dbraw/zinc/62/79/70/584627970.db2.gz ZCDIITQEMHHYGB-UHFFFAOYSA-N 1 2 240.328 1.789 20 0 BDADLO O=C1C[C@@H](COc2ccc3c[nH+]ccc3c2)CN1 ZINC000902637040 584648438 /nfs/dbraw/zinc/64/84/38/584648438.db2.gz GPAAQXQONDFBDG-SNVBAGLBSA-N 1 2 242.278 1.750 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1cc[nH]c1=S ZINC000902636057 584648582 /nfs/dbraw/zinc/64/85/82/584648582.db2.gz DSSLBUVVKCINEU-RKDXNWHRSA-N 1 2 227.333 1.239 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1cc[nH]c1=S ZINC000902636057 584648583 /nfs/dbraw/zinc/64/85/83/584648583.db2.gz DSSLBUVVKCINEU-RKDXNWHRSA-N 1 2 227.333 1.239 20 0 BDADLO CCn1c[nH+]c(CNc2nnc(C3CC3)n2C)c1 ZINC000902658677 584650259 /nfs/dbraw/zinc/65/02/59/584650259.db2.gz XYUKRUIWMDRBQV-UHFFFAOYSA-N 1 2 246.318 1.521 20 0 BDADLO CCn1cc(CO[NH+]=C(N)c2ccccc2)nn1 ZINC000902685207 584656022 /nfs/dbraw/zinc/65/60/22/584656022.db2.gz GIUUQDDZOHZLCM-UHFFFAOYSA-N 1 2 245.286 1.345 20 0 BDADLO Cc1cn(C)nc1COc1cc[nH+]cc1 ZINC000902734877 584662597 /nfs/dbraw/zinc/66/25/97/584662597.db2.gz YITZGVWFDXBITD-UHFFFAOYSA-N 1 2 203.245 1.703 20 0 BDADLO CC(C)c1ccccc1CO[NH+]=C(N)CO ZINC000902764036 584666114 /nfs/dbraw/zinc/66/61/14/584666114.db2.gz RZBSHUVWWACUKO-UHFFFAOYSA-N 1 2 222.288 1.801 20 0 BDADLO NC(CO)=[NH+]OCCCC1CCCCC1 ZINC000902764170 584666542 /nfs/dbraw/zinc/66/65/42/584666542.db2.gz XUGSEAYJGSDMAD-UHFFFAOYSA-N 1 2 214.309 1.838 20 0 BDADLO Cn1c[nH+]c2cc(OC[C@H]3CCOC3)ccc21 ZINC000902779832 584669480 /nfs/dbraw/zinc/66/94/80/584669480.db2.gz GXRMOUKUDAHXFA-JTQLQIEISA-N 1 2 232.283 1.989 20 0 BDADLO Cc1noc(COc2ccc3c(c2)[nH+]cn3C)n1 ZINC000902780113 584669919 /nfs/dbraw/zinc/66/99/19/584669919.db2.gz ROUSSCRVQWJGNB-UHFFFAOYSA-N 1 2 244.254 1.844 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)on1 ZINC000902814711 584678210 /nfs/dbraw/zinc/67/82/10/584678210.db2.gz FXPSDJLNHPOUTF-QMMMGPOBSA-N 1 2 235.291 1.216 20 0 BDADLO O=[S@](CC[N@@H+]1CCC[C@@H](F)C1)C(F)(F)F ZINC000902991068 584709285 /nfs/dbraw/zinc/70/92/85/584709285.db2.gz KBJCLFKUTDFOKS-KWKYVRJSSA-N 1 2 247.257 1.689 20 0 BDADLO O=[S@](CC[N@H+]1CCC[C@@H](F)C1)C(F)(F)F ZINC000902991068 584709284 /nfs/dbraw/zinc/70/92/84/584709284.db2.gz KBJCLFKUTDFOKS-KWKYVRJSSA-N 1 2 247.257 1.689 20 0 BDADLO C[C@H]1C[N@H+](CCN2CCC[C@@H](F)C2)CCO1 ZINC000902994502 584712307 /nfs/dbraw/zinc/71/23/07/584712307.db2.gz DCGKABNVFZMKDT-NWDGAFQWSA-N 1 2 230.327 1.141 20 0 BDADLO C[C@H]1C[N@@H+](CCN2CCC[C@@H](F)C2)CCO1 ZINC000902994502 584712308 /nfs/dbraw/zinc/71/23/08/584712308.db2.gz DCGKABNVFZMKDT-NWDGAFQWSA-N 1 2 230.327 1.141 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@@H](F)C2)n1 ZINC000902996873 584714482 /nfs/dbraw/zinc/71/44/82/584714482.db2.gz YDCJLLFFEXBFRE-VHSXEESVSA-N 1 2 239.294 1.986 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@@H](F)C2)n1 ZINC000902996873 584714484 /nfs/dbraw/zinc/71/44/84/584714484.db2.gz YDCJLLFFEXBFRE-VHSXEESVSA-N 1 2 239.294 1.986 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000902999247 584714928 /nfs/dbraw/zinc/71/49/28/584714928.db2.gz WIFFTSZCOGMDIZ-GHMZBOCLSA-N 1 2 230.327 1.676 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000902999247 584714929 /nfs/dbraw/zinc/71/49/29/584714929.db2.gz WIFFTSZCOGMDIZ-GHMZBOCLSA-N 1 2 230.327 1.676 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903001558 584715513 /nfs/dbraw/zinc/71/55/13/584715513.db2.gz PGVMXRZUWQRYBC-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903001558 584715515 /nfs/dbraw/zinc/71/55/15/584715515.db2.gz PGVMXRZUWQRYBC-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003778 584717164 /nfs/dbraw/zinc/71/71/64/584717164.db2.gz RACAEDLDPMHMIQ-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003778 584717166 /nfs/dbraw/zinc/71/71/66/584717166.db2.gz RACAEDLDPMHMIQ-VXGBXAGGSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)F)c1cn(C)nn1 ZINC000903070652 584726355 /nfs/dbraw/zinc/72/63/55/584726355.db2.gz BSQPRDXDKPECDK-ZETCQYMHSA-N 1 2 200.261 1.214 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903290101 584746182 /nfs/dbraw/zinc/74/61/82/584746182.db2.gz XACOULKRTZEZHQ-YHRGTCEESA-N 1 2 233.315 1.545 20 0 BDADLO C[NH+]1CC[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316718 584750086 /nfs/dbraw/zinc/75/00/86/584750086.db2.gz QNMNUVMJQCSPDP-NEPJUHHUSA-N 1 2 225.380 1.153 20 0 BDADLO C[NH+]1CC[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316718 584750087 /nfs/dbraw/zinc/75/00/87/584750087.db2.gz QNMNUVMJQCSPDP-NEPJUHHUSA-N 1 2 225.380 1.153 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(F)cn1 ZINC000903351036 584755395 /nfs/dbraw/zinc/75/53/95/584755395.db2.gz GFQIFMQHMPUSQQ-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CC[C@](C)(O)c1nc(Cc2c[nH+]cn2C)no1 ZINC000904033773 584838310 /nfs/dbraw/zinc/83/83/10/584838310.db2.gz OQLXVLFEYHPGHJ-NSHDSACASA-N 1 2 236.275 1.011 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc(C2(O)CCC2)n1 ZINC000904261575 584859209 /nfs/dbraw/zinc/85/92/09/584859209.db2.gz GPRYTYKZRPIWQT-UHFFFAOYSA-N 1 2 246.270 1.394 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N)nn2)C[C@@H](C2CC2)O1 ZINC000904343920 584867921 /nfs/dbraw/zinc/86/79/21/584867921.db2.gz ZCRGNDDSVMZXET-CABZTGNLSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@@H](C2CC2)O1 ZINC000904343920 584867922 /nfs/dbraw/zinc/86/79/22/584867922.db2.gz ZCRGNDDSVMZXET-CABZTGNLSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)[C@@H](C)[C@H](C)O1 ZINC000904345906 584868343 /nfs/dbraw/zinc/86/83/43/584868343.db2.gz LLQLLUQVAJPWSE-UTLUCORTSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)[C@@H](C)[C@H](C)O1 ZINC000904345906 584868344 /nfs/dbraw/zinc/86/83/44/584868344.db2.gz LLQLLUQVAJPWSE-UTLUCORTSA-N 1 2 236.319 1.057 20 0 BDADLO Fc1cc(F)c(C[NH2+][C@@H]2CNOC2)cc1F ZINC000904424066 584880920 /nfs/dbraw/zinc/88/09/20/584880920.db2.gz CUKHOZLZTVCOMI-SSDOTTSWSA-N 1 2 232.205 1.097 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC12CCC2 ZINC000874780133 584883491 /nfs/dbraw/zinc/88/34/91/584883491.db2.gz HUXGJNVTTIZTQV-NSHDSACASA-N 1 2 233.315 1.412 20 0 BDADLO CC[C@@H](C)C(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803496425 584888519 /nfs/dbraw/zinc/88/85/19/584888519.db2.gz CURMSHQSEFIFSB-ZYHUDNBSSA-N 1 2 243.347 1.731 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C/c1ccco1 ZINC000753680825 584903793 /nfs/dbraw/zinc/90/37/93/584903793.db2.gz XEAWTGSNNPQLOT-SNAWJCMRSA-N 1 2 245.282 1.385 20 0 BDADLO C(c1nnc2n1CCCC2)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761086107 584909218 /nfs/dbraw/zinc/90/92/18/584909218.db2.gz CBEFUHIIEJKIQJ-ZJUUUORDSA-N 1 2 218.304 1.209 20 0 BDADLO C(c1nnc2n1CCCC2)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761086107 584909219 /nfs/dbraw/zinc/90/92/19/584909219.db2.gz CBEFUHIIEJKIQJ-ZJUUUORDSA-N 1 2 218.304 1.209 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCCc2sccc2C1 ZINC000730432752 584911080 /nfs/dbraw/zinc/91/10/80/584911080.db2.gz RCVVWVCGQXTPTD-JTQLQIEISA-N 1 2 237.324 1.812 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCCc2sccc2C1 ZINC000730432752 584911081 /nfs/dbraw/zinc/91/10/81/584911081.db2.gz RCVVWVCGQXTPTD-JTQLQIEISA-N 1 2 237.324 1.812 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccn1 ZINC000741147447 584912108 /nfs/dbraw/zinc/91/21/08/584912108.db2.gz UWTZUUZBCMVOEO-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccn1 ZINC000741147447 584912109 /nfs/dbraw/zinc/91/21/09/584912109.db2.gz UWTZUUZBCMVOEO-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C1=COCCC1 ZINC000730833193 584917620 /nfs/dbraw/zinc/91/76/20/584917620.db2.gz VPPCDMTWMMUWRF-UHFFFAOYSA-N 1 2 249.314 1.474 20 0 BDADLO COC(=O)c1cnc(/C=C/c2[nH]cc[nH+]2)s1 ZINC000731158586 584922946 /nfs/dbraw/zinc/92/29/46/584922946.db2.gz FFVQLABZAHMXNZ-NSCUHMNNSA-N 1 2 235.268 1.823 20 0 BDADLO CNC(=O)c1cnc(/C=C\c2[nH]cc[nH+]2)s1 ZINC000731159417 584923062 /nfs/dbraw/zinc/92/30/62/584923062.db2.gz QNIAKAKGAZEDLG-IHWYPQMZSA-N 1 2 234.284 1.396 20 0 BDADLO CCNC(=O)CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000731979162 584932550 /nfs/dbraw/zinc/93/25/50/584932550.db2.gz JDVYUJVEZJINMB-UHFFFAOYSA-N 1 2 236.319 1.172 20 0 BDADLO O=C(OCC(F)F)c1ccc2[nH+]ccn2c1 ZINC000733494633 584950068 /nfs/dbraw/zinc/95/00/68/584950068.db2.gz ZDZZAFIWVOFSQY-UHFFFAOYSA-N 1 2 226.182 1.756 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1=COCC1 ZINC000734128076 584958605 /nfs/dbraw/zinc/95/86/05/584958605.db2.gz CXMVVDMBWCSROX-UHFFFAOYSA-N 1 2 204.229 1.055 20 0 BDADLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ncc[nH]1 ZINC000734851686 584968950 /nfs/dbraw/zinc/96/89/50/584968950.db2.gz GHSOGDCCGQXZSW-NSHDSACASA-N 1 2 243.314 1.675 20 0 BDADLO Cc1nc(Cl)cc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000735832981 584982263 /nfs/dbraw/zinc/98/22/63/584982263.db2.gz UBRTYURKXMHORV-UHFFFAOYSA-N 1 2 237.694 1.798 20 0 BDADLO CCCCNC(=S)N[C@H]1CCn2cc[nH+]c21 ZINC000840773302 584983377 /nfs/dbraw/zinc/98/33/77/584983377.db2.gz ZRCIFWPHQSTDAL-VIFPVBQESA-N 1 2 238.360 1.592 20 0 BDADLO CCC/C=C\C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819765516 585005916 /nfs/dbraw/zinc/00/59/16/585005916.db2.gz CGXBOFPVBJMCSN-SLGIHZDVSA-N 1 2 212.318 1.950 20 0 BDADLO CC/C=C(\C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819765115 585006004 /nfs/dbraw/zinc/00/60/04/585006004.db2.gz HHRUOTMIBYMKPD-WVXIBAHESA-N 1 2 212.318 1.950 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890105088 585023522 /nfs/dbraw/zinc/02/35/22/585023522.db2.gz WNAZYFZAWHCMBS-JQWIXIFHSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H](C(=O)NCc1cn(C)c[nH+]1)C1CCCC1 ZINC000890109681 585023821 /nfs/dbraw/zinc/02/38/21/585023821.db2.gz FFYIFFNQUQPTJG-JTQLQIEISA-N 1 2 235.331 1.863 20 0 BDADLO CC[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788083323 585030496 /nfs/dbraw/zinc/03/04/96/585030496.db2.gz KGVSPSGROFMPJZ-ZJUUUORDSA-N 1 2 217.284 1.620 20 0 BDADLO CC[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788083323 585030497 /nfs/dbraw/zinc/03/04/97/585030497.db2.gz KGVSPSGROFMPJZ-ZJUUUORDSA-N 1 2 217.284 1.620 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CC=CCC1 ZINC000788083304 585030535 /nfs/dbraw/zinc/03/05/35/585030535.db2.gz JXACPLKHVDREFV-VXGBXAGGSA-N 1 2 241.306 1.930 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CC=CCC1 ZINC000788083304 585030536 /nfs/dbraw/zinc/03/05/36/585030536.db2.gz JXACPLKHVDREFV-VXGBXAGGSA-N 1 2 241.306 1.930 20 0 BDADLO CC(C)(NC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CC1 ZINC000838635310 585064229 /nfs/dbraw/zinc/06/42/29/585064229.db2.gz RBFHEAJYPNRWBR-SNVBAGLBSA-N 1 2 248.330 1.816 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000838637421 585064235 /nfs/dbraw/zinc/06/42/35/585064235.db2.gz YMZCTZPCKQJMAA-GARJFASQSA-N 1 2 248.330 1.672 20 0 BDADLO CCn1ncc(C[N@@H+]2CCn3cccc3[C@@H]2C)n1 ZINC000838782914 585069567 /nfs/dbraw/zinc/06/95/67/585069567.db2.gz GAUGRLPBGCLGSC-NSHDSACASA-N 1 2 245.330 1.676 20 0 BDADLO CCn1ncc(C[N@H+]2CCn3cccc3[C@@H]2C)n1 ZINC000838782914 585069568 /nfs/dbraw/zinc/06/95/68/585069568.db2.gz GAUGRLPBGCLGSC-NSHDSACASA-N 1 2 245.330 1.676 20 0 BDADLO CCn1ncc(C[N@H+](C)Cc2ccccc2)n1 ZINC000838780737 585069592 /nfs/dbraw/zinc/06/95/92/585069592.db2.gz CDVHELKYRWNIMX-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1ncc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000838780737 585069593 /nfs/dbraw/zinc/06/95/93/585069593.db2.gz CDVHELKYRWNIMX-UHFFFAOYSA-N 1 2 230.315 1.930 20 0 BDADLO CCn1ncc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000838839179 585073770 /nfs/dbraw/zinc/07/37/70/585073770.db2.gz OOIQOYHCXBLVGN-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncc(C[N@H+]2CCSC[C@H]2C)n1 ZINC000838839179 585073771 /nfs/dbraw/zinc/07/37/71/585073771.db2.gz OOIQOYHCXBLVGN-SECBINFHSA-N 1 2 226.349 1.235 20 0 BDADLO O=C(CC[N@@H+](CC(F)F)C1CC1)N1CCCC1 ZINC000838837803 585073928 /nfs/dbraw/zinc/07/39/28/585073928.db2.gz HYUDXZOXWYOLBB-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO O=C(CC[N@H+](CC(F)F)C1CC1)N1CCCC1 ZINC000838837803 585073929 /nfs/dbraw/zinc/07/39/29/585073929.db2.gz HYUDXZOXWYOLBB-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO CCn1ncc(C[N@H+]2CC=C(C)CC2)n1 ZINC000838841911 585073962 /nfs/dbraw/zinc/07/39/62/585073962.db2.gz GNTZHGIYMYLGAU-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO CCn1ncc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000838841911 585073963 /nfs/dbraw/zinc/07/39/63/585073963.db2.gz GNTZHGIYMYLGAU-UHFFFAOYSA-N 1 2 206.293 1.450 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnccn2)C[C@@H]1F ZINC000838996808 585085152 /nfs/dbraw/zinc/08/51/52/585085152.db2.gz ZWVJRSYDDOOVRC-ONGXEEELSA-N 1 2 209.268 1.657 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnccn2)C[C@@H]1F ZINC000838996808 585085153 /nfs/dbraw/zinc/08/51/53/585085153.db2.gz ZWVJRSYDDOOVRC-ONGXEEELSA-N 1 2 209.268 1.657 20 0 BDADLO CCn1ncc(C[N@H+](C)CCCSC)n1 ZINC000839073673 585089711 /nfs/dbraw/zinc/08/97/11/585089711.db2.gz ORJQWTMYJURSQP-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO CCn1ncc(C[N@@H+](C)CCCSC)n1 ZINC000839073673 585089712 /nfs/dbraw/zinc/08/97/12/585089712.db2.gz ORJQWTMYJURSQP-UHFFFAOYSA-N 1 2 228.365 1.483 20 0 BDADLO Cn1ncc(C[NH+]2CC(C3CCCC3)C2)n1 ZINC000839142723 585094893 /nfs/dbraw/zinc/09/48/93/585094893.db2.gz KUPHJCNYICQRIL-UHFFFAOYSA-N 1 2 220.320 1.437 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000839197754 585098905 /nfs/dbraw/zinc/09/89/05/585098905.db2.gz CMLMXZWEHIOICR-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO CC/C=C(/C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000740727255 585105838 /nfs/dbraw/zinc/10/58/38/585105838.db2.gz JFFGFOXECQOMKM-XYHYMSPGSA-N 1 2 235.331 1.992 20 0 BDADLO CC/C=C(/C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000740727252 585105875 /nfs/dbraw/zinc/10/58/75/585105875.db2.gz JFFGFOXECQOMKM-KQDRGBMMSA-N 1 2 235.331 1.992 20 0 BDADLO C[N@H+](C/C=C/Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000741053789 585110058 /nfs/dbraw/zinc/11/00/58/585110058.db2.gz ANIRGCCBQBKAAQ-HDMKULJXSA-N 1 2 237.752 1.105 20 0 BDADLO C[N@@H+](C/C=C/Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000741053789 585110059 /nfs/dbraw/zinc/11/00/59/585110059.db2.gz ANIRGCCBQBKAAQ-HDMKULJXSA-N 1 2 237.752 1.105 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742198159 585122584 /nfs/dbraw/zinc/12/25/84/585122584.db2.gz ZYJCFZIDPRVBNU-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742198159 585122585 /nfs/dbraw/zinc/12/25/85/585122585.db2.gz ZYJCFZIDPRVBNU-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC1(C)COC1 ZINC000742364434 585124855 /nfs/dbraw/zinc/12/48/55/585124855.db2.gz WGYYVTLPCOLPOL-SNVBAGLBSA-N 1 2 244.335 1.582 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000743359834 585135968 /nfs/dbraw/zinc/13/59/68/585135968.db2.gz MAUMBNNPAHXLST-LBPRGKRZSA-N 1 2 240.347 1.315 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000743359834 585135969 /nfs/dbraw/zinc/13/59/69/585135969.db2.gz MAUMBNNPAHXLST-LBPRGKRZSA-N 1 2 240.347 1.315 20 0 BDADLO CC[N@H+](CCOC)Cn1cc[nH]c1=S ZINC000743358157 585136181 /nfs/dbraw/zinc/13/61/81/585136181.db2.gz RKXNVYOZICSXNS-UHFFFAOYSA-N 1 2 215.322 1.098 20 0 BDADLO CC[N@@H+](CCOC)Cn1cc[nH]c1=S ZINC000743358157 585136182 /nfs/dbraw/zinc/13/61/82/585136182.db2.gz RKXNVYOZICSXNS-UHFFFAOYSA-N 1 2 215.322 1.098 20 0 BDADLO CC[N@@H+]1CCN(CC2CC(OC)C2)C[C@@H]1C ZINC000859207231 589019216 /nfs/dbraw/zinc/01/92/16/589019216.db2.gz NGTFBGNCNAKQCL-HIFPTAJRSA-N 1 2 226.364 1.437 20 0 BDADLO CC[N@H+]1CCN(CC2CC(OC)C2)C[C@@H]1C ZINC000859207231 589019217 /nfs/dbraw/zinc/01/92/17/589019217.db2.gz NGTFBGNCNAKQCL-HIFPTAJRSA-N 1 2 226.364 1.437 20 0 BDADLO C/C(=C/C(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000746244514 585166315 /nfs/dbraw/zinc/16/63/15/585166315.db2.gz RPUMOVXQBFDGMV-HJWRWDBZSA-N 1 2 219.288 1.425 20 0 BDADLO Cc1ccc([C@H](C)C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000746243449 585166415 /nfs/dbraw/zinc/16/64/15/585166415.db2.gz WKVIKJGKMMHTHF-JTQLQIEISA-N 1 2 247.298 1.774 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1CCF ZINC000746500211 585168918 /nfs/dbraw/zinc/16/89/18/585168918.db2.gz UPGDWUBFVZIIMD-LLVKDONJSA-N 1 2 240.278 1.330 20 0 BDADLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1CCF ZINC000746500211 585168919 /nfs/dbraw/zinc/16/89/19/585168919.db2.gz UPGDWUBFVZIIMD-LLVKDONJSA-N 1 2 240.278 1.330 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCCCCF ZINC000789594137 585170811 /nfs/dbraw/zinc/17/08/11/585170811.db2.gz ASXGEZPUKPZPHA-MRVPVSSYSA-N 1 2 206.261 1.660 20 0 BDADLO C[N@H+](C[C@H]1CCCOC1)Cn1ccsc1=O ZINC000746618427 585171155 /nfs/dbraw/zinc/17/11/55/585171155.db2.gz HRNWXBMDBRHJJS-SNVBAGLBSA-N 1 2 242.344 1.226 20 0 BDADLO C[N@@H+](C[C@H]1CCCOC1)Cn1ccsc1=O ZINC000746618427 585171156 /nfs/dbraw/zinc/17/11/56/585171156.db2.gz HRNWXBMDBRHJJS-SNVBAGLBSA-N 1 2 242.344 1.226 20 0 BDADLO CCC[N@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000746662217 585172032 /nfs/dbraw/zinc/17/20/32/585172032.db2.gz VQWARJIZMPKSLR-UHFFFAOYSA-N 1 2 235.331 1.421 20 0 BDADLO CCC[N@@H+](C)Cn1nc2c(cc1=O)CCCC2 ZINC000746662217 585172033 /nfs/dbraw/zinc/17/20/33/585172033.db2.gz VQWARJIZMPKSLR-UHFFFAOYSA-N 1 2 235.331 1.421 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CCCOCC2)o1 ZINC000746662283 585172044 /nfs/dbraw/zinc/17/20/44/585172044.db2.gz YWCXZUWABMVYBW-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CCCOCC2)o1 ZINC000746662283 585172045 /nfs/dbraw/zinc/17/20/45/585172045.db2.gz YWCXZUWABMVYBW-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO Cc1nnc([C@H](C)O[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000789612824 585177474 /nfs/dbraw/zinc/17/74/74/585177474.db2.gz VNWSRLXMNCGBHS-POYBYMJQSA-N 1 2 240.263 1.116 20 0 BDADLO C/C=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747400102 585178476 /nfs/dbraw/zinc/17/84/76/585178476.db2.gz FXSSBVCTSUXPPV-XOULXFPDSA-N 1 2 207.277 1.212 20 0 BDADLO CO[C@@H](C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747400731 585178726 /nfs/dbraw/zinc/17/87/26/585178726.db2.gz MDGNPEYVXHPJRA-MNOVXSKESA-N 1 2 239.319 1.060 20 0 BDADLO COc1ccc(CC[NH2+]NC2=[NH+]C=C([O-])C2)cc1 ZINC000747632595 585181387 /nfs/dbraw/zinc/18/13/87/585181387.db2.gz NSBLUGHCYXVXGS-UHFFFAOYSA-N 1 2 247.298 1.186 20 0 BDADLO C[C@H](C(=O)OCC[NH+]1CCOCC1)C(C)(C)C ZINC000747702238 585182418 /nfs/dbraw/zinc/18/24/18/585182418.db2.gz GOKAFEBOFBNOAH-LLVKDONJSA-N 1 2 243.347 1.544 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC=CCC1 ZINC000747782153 585184165 /nfs/dbraw/zinc/18/41/65/585184165.db2.gz DVJKJBYPGBLZGK-SNVBAGLBSA-N 1 2 220.272 1.820 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1cccc(F)c1 ZINC000747782743 585184189 /nfs/dbraw/zinc/18/41/89/585184189.db2.gz PKHGUAZGUUJBMT-UHFFFAOYSA-N 1 2 234.230 1.916 20 0 BDADLO NC(=[NH+]OC[C@H]1CCOC1)c1cccc(F)c1 ZINC000747833872 585184972 /nfs/dbraw/zinc/18/49/72/585184972.db2.gz AWXRYWBPOXAXGW-VIFPVBQESA-N 1 2 238.262 1.709 20 0 BDADLO CS(=O)(=O)CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000748818990 585196638 /nfs/dbraw/zinc/19/66/38/585196638.db2.gz ALEZZCOOVNWIDQ-GFCCVEGCSA-N 1 2 239.340 1.478 20 0 BDADLO CS(=O)(=O)CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000748818990 585196639 /nfs/dbraw/zinc/19/66/39/585196639.db2.gz ALEZZCOOVNWIDQ-GFCCVEGCSA-N 1 2 239.340 1.478 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000749113879 585199480 /nfs/dbraw/zinc/19/94/80/585199480.db2.gz JCZBMUGGITVAPI-VXGBXAGGSA-N 1 2 217.268 1.749 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H]1c1ccccc1 ZINC000749113879 585199481 /nfs/dbraw/zinc/19/94/81/585199481.db2.gz JCZBMUGGITVAPI-VXGBXAGGSA-N 1 2 217.268 1.749 20 0 BDADLO CO[C@H](C)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000749564003 585203689 /nfs/dbraw/zinc/20/36/89/585203689.db2.gz OZCMIKWSNCPEMF-SNVBAGLBSA-N 1 2 247.298 1.376 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nncn2C)Cc2ccccc21 ZINC000750518841 585216534 /nfs/dbraw/zinc/21/65/34/585216534.db2.gz YTWQLFLVDJNZOG-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nncn2C)Cc2ccccc21 ZINC000750518841 585216535 /nfs/dbraw/zinc/21/65/35/585216535.db2.gz YTWQLFLVDJNZOG-LLVKDONJSA-N 1 2 242.326 1.934 20 0 BDADLO CO[C@H](C)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000751458681 585230785 /nfs/dbraw/zinc/23/07/85/585230785.db2.gz OAAYKHOLWPBALH-SECBINFHSA-N 1 2 238.287 1.175 20 0 BDADLO CC1(C)C[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000751855583 585237919 /nfs/dbraw/zinc/23/79/19/585237919.db2.gz VMMSFNVWWNGUBG-LBPRGKRZSA-N 1 2 246.310 1.717 20 0 BDADLO CO[C@@H]1CC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000751941041 585239703 /nfs/dbraw/zinc/23/97/03/585239703.db2.gz QUOVWHDXLSGBDU-MRVPVSSYSA-N 1 2 249.236 1.580 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000751941041 585239704 /nfs/dbraw/zinc/23/97/04/585239704.db2.gz QUOVWHDXLSGBDU-MRVPVSSYSA-N 1 2 249.236 1.580 20 0 BDADLO CCc1cc(NCC2(C)OCCCO2)nc[nH+]1 ZINC000752976439 585251969 /nfs/dbraw/zinc/25/19/69/585251969.db2.gz GSINPEGTRPFTNP-UHFFFAOYSA-N 1 2 237.303 1.604 20 0 BDADLO Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000752996674 585252335 /nfs/dbraw/zinc/25/23/35/585252335.db2.gz OEQQYFQIYUFNGM-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO Cc1cc(OCc2c[nH+]cn2C)nnc1C ZINC000753119384 585253882 /nfs/dbraw/zinc/25/38/82/585253882.db2.gz SVKMSELWNNWBKQ-UHFFFAOYSA-N 1 2 218.260 1.406 20 0 BDADLO Cn1ccc2ccn(Cc3c[nH+]cn3C)c(=O)c21 ZINC000753117822 585253902 /nfs/dbraw/zinc/25/39/02/585253902.db2.gz AIXCQCLRPRDZTR-UHFFFAOYSA-N 1 2 242.282 1.122 20 0 BDADLO CCC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000753723767 585267101 /nfs/dbraw/zinc/26/71/01/585267101.db2.gz PWDLDXXZQUWHOH-FCHSOHFDSA-N 1 2 231.361 1.197 20 0 BDADLO CCC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000753723767 585267102 /nfs/dbraw/zinc/26/71/02/585267102.db2.gz PWDLDXXZQUWHOH-FCHSOHFDSA-N 1 2 231.361 1.197 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC000754001098 585274937 /nfs/dbraw/zinc/27/49/37/585274937.db2.gz YFWMKYZWNXPBOD-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000754001098 585274938 /nfs/dbraw/zinc/27/49/38/585274938.db2.gz YFWMKYZWNXPBOD-NEPJUHHUSA-N 1 2 249.358 1.757 20 0 BDADLO CN(C)c1cc(C[N@H+](C)Cc2cc[nH]n2)ccn1 ZINC000754041771 585276243 /nfs/dbraw/zinc/27/62/43/585276243.db2.gz AJKDWQJEJVUGGV-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CN(C)c1cc(C[N@@H+](C)Cc2cc[nH]n2)ccn1 ZINC000754041771 585276244 /nfs/dbraw/zinc/27/62/44/585276244.db2.gz AJKDWQJEJVUGGV-UHFFFAOYSA-N 1 2 245.330 1.503 20 0 BDADLO CCc1cc(NC2COC(C)(C)OC2)nc[nH+]1 ZINC000754117480 585278889 /nfs/dbraw/zinc/27/88/89/585278889.db2.gz XXKJRPDLLCQYBW-UHFFFAOYSA-N 1 2 237.303 1.602 20 0 BDADLO CCC/C=C\C(=O)NCc1[nH]c[nH+]c1C ZINC000754355773 585282949 /nfs/dbraw/zinc/28/29/49/585282949.db2.gz RUPMXCFOZLYGAD-WAYWQWQTSA-N 1 2 207.277 1.691 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=C1CCCC1 ZINC000754355809 585283016 /nfs/dbraw/zinc/28/30/16/585283016.db2.gz SUDYEAUAQGPWOF-UHFFFAOYSA-N 1 2 219.288 1.835 20 0 BDADLO CCC/C=C/C(=O)OCc1c[nH+]cn1C ZINC000754686566 585289318 /nfs/dbraw/zinc/28/93/18/585289318.db2.gz IQDGVTVFGRGEHU-AATRIKPKSA-N 1 2 208.261 1.820 20 0 BDADLO CC(C)c1ocnc1C(=O)OCc1c[nH+]cn1C ZINC000754685436 585289357 /nfs/dbraw/zinc/28/93/57/585289357.db2.gz WGKGLMHEAAUKNI-UHFFFAOYSA-N 1 2 249.270 1.889 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC1CCC1 ZINC000755499949 585301018 /nfs/dbraw/zinc/30/10/18/585301018.db2.gz XYXQCCQOHKQDKN-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(C)[nH+]1 ZINC000755620926 585302440 /nfs/dbraw/zinc/30/24/40/585302440.db2.gz NOGBKBZJRALTHS-UHFFFAOYSA-N 1 2 243.266 1.584 20 0 BDADLO C/C=C(\C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756138214 585315123 /nfs/dbraw/zinc/31/51/23/585315123.db2.gz RWOJAKJAAQWQFP-INJWIWPUSA-N 1 2 233.315 1.702 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCOC[C@@H]2C)n1 ZINC000756616987 585321845 /nfs/dbraw/zinc/32/18/45/585321845.db2.gz ZGFIKYVKNJXZMQ-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCOC[C@@H]2C)n1 ZINC000756616987 585321846 /nfs/dbraw/zinc/32/18/46/585321846.db2.gz ZGFIKYVKNJXZMQ-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000757706173 585344339 /nfs/dbraw/zinc/34/43/39/585344339.db2.gz VCYVHAFLNMMTBL-MRVPVSSYSA-N 1 2 239.319 1.520 20 0 BDADLO COc1ccc(C[N@H+](C)Cc2cncnc2)cn1 ZINC000757917613 585346577 /nfs/dbraw/zinc/34/65/77/585346577.db2.gz KZZQUSLTIVBLDY-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1ccc(C[N@@H+](C)Cc2cncnc2)cn1 ZINC000757917613 585346578 /nfs/dbraw/zinc/34/65/78/585346578.db2.gz KZZQUSLTIVBLDY-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO CC[N@H+](Cn1ncn(C)c1=O)C1CCCCC1 ZINC000758287852 585353055 /nfs/dbraw/zinc/35/30/55/585353055.db2.gz FKJGIUDVGWPAER-UHFFFAOYSA-N 1 2 238.335 1.194 20 0 BDADLO CC[N@@H+](Cn1ncn(C)c1=O)C1CCCCC1 ZINC000758287852 585353056 /nfs/dbraw/zinc/35/30/56/585353056.db2.gz FKJGIUDVGWPAER-UHFFFAOYSA-N 1 2 238.335 1.194 20 0 BDADLO Cn1ccc(COC(=O)CCCn2cc[nH+]c2)n1 ZINC000758997292 585363413 /nfs/dbraw/zinc/36/34/13/585363413.db2.gz BYMAGAAUJDPBDB-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO COC1(C)C[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000759050734 585363803 /nfs/dbraw/zinc/36/38/03/585363803.db2.gz XEBUDPGANJLNCW-LBPRGKRZSA-N 1 2 239.290 1.580 20 0 BDADLO FCC[NH+]1CCN(c2cccs2)CC1 ZINC000759372024 585371799 /nfs/dbraw/zinc/37/17/99/585371799.db2.gz QXVCVNVLZFMTGQ-UHFFFAOYSA-N 1 2 214.309 1.840 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\c1cccnc1 ZINC000759397044 585372228 /nfs/dbraw/zinc/37/22/28/585372228.db2.gz DTWGESOPJFCLPI-PLNGDYQASA-N 1 2 243.266 1.572 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2ccc[nH]2)c[nH+]1 ZINC000760961743 585402638 /nfs/dbraw/zinc/40/26/38/585402638.db2.gz RAQSHFJIGNTQGA-SSDOTTSWSA-N 1 2 218.260 1.537 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccc[nH]2)c[nH+]1 ZINC000760961746 585402675 /nfs/dbraw/zinc/40/26/75/585402675.db2.gz RAQSHFJIGNTQGA-ZETCQYMHSA-N 1 2 218.260 1.537 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761097161 585408939 /nfs/dbraw/zinc/40/89/39/585408939.db2.gz SJUXJQBBGJWHEZ-SCZZXKLOSA-N 1 2 224.329 1.884 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761097161 585408940 /nfs/dbraw/zinc/40/89/40/585408940.db2.gz SJUXJQBBGJWHEZ-SCZZXKLOSA-N 1 2 224.329 1.884 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000761128546 585410760 /nfs/dbraw/zinc/41/07/60/585410760.db2.gz WRVLMYJZLWFTJX-JSJZCHLLSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCOC[C@H]1C1CC1 ZINC000761128546 585410761 /nfs/dbraw/zinc/41/07/61/585410761.db2.gz WRVLMYJZLWFTJX-JSJZCHLLSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc[nH]1 ZINC000762194481 585428792 /nfs/dbraw/zinc/42/87/92/585428792.db2.gz JCKFCATVFFIBRV-SECBINFHSA-N 1 2 218.260 1.089 20 0 BDADLO CS/C=C\c1nc(Cc2c[nH+]cn2C)no1 ZINC000762411037 585431830 /nfs/dbraw/zinc/43/18/30/585431830.db2.gz LWTTUQTYZUNCAQ-ARJAWSKDSA-N 1 2 236.300 1.728 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(F)=C1CCCC1 ZINC000762604011 585434646 /nfs/dbraw/zinc/43/46/46/585434646.db2.gz MKCBBHXYLIZFTQ-UHFFFAOYSA-N 1 2 237.278 1.834 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C(F)=C1CCCC1 ZINC000763025952 585441552 /nfs/dbraw/zinc/44/15/52/585441552.db2.gz VLMAGILTZMUMII-UHFFFAOYSA-N 1 2 237.278 1.797 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000763117849 585443222 /nfs/dbraw/zinc/44/32/22/585443222.db2.gz ZENHJJLHMSTMSY-UHFFFAOYSA-N 1 2 234.230 1.879 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccsc1 ZINC000763111288 585443350 /nfs/dbraw/zinc/44/33/50/585443350.db2.gz GLFBAUUDGUIVAD-UHFFFAOYSA-N 1 2 222.269 1.802 20 0 BDADLO O=Cc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000763113985 585443463 /nfs/dbraw/zinc/44/34/63/585443463.db2.gz QYCLDEGRUGWUDY-UHFFFAOYSA-N 1 2 244.250 1.553 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccco1 ZINC000763289094 585445885 /nfs/dbraw/zinc/44/58/85/585445885.db2.gz ZDOPZPFIUMNCBG-UHFFFAOYSA-N 1 2 220.228 1.723 20 0 BDADLO CNc1ncc(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000763477515 585448691 /nfs/dbraw/zinc/44/86/91/585448691.db2.gz IKSKQEIHXPDKCR-UHFFFAOYSA-N 1 2 248.311 1.562 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000763716485 585453295 /nfs/dbraw/zinc/45/32/95/585453295.db2.gz WGZHULBBZFHFDN-CMPLNLGQSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000763716485 585453296 /nfs/dbraw/zinc/45/32/96/585453296.db2.gz WGZHULBBZFHFDN-CMPLNLGQSA-N 1 2 247.298 1.279 20 0 BDADLO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2=O)C1(C)C ZINC000766038120 585496638 /nfs/dbraw/zinc/49/66/38/585496638.db2.gz HURFQLVROWCNJG-HBNTYKKESA-N 1 2 241.331 1.484 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OC[C@@H](C)CO ZINC000766697521 585505558 /nfs/dbraw/zinc/50/55/58/585505558.db2.gz PXIWBAKSHDBTGM-QMMMGPOBSA-N 1 2 238.287 1.217 20 0 BDADLO C[C@@H](CO)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000766714947 585506571 /nfs/dbraw/zinc/50/65/71/585506571.db2.gz UKIUYDJVDWKVIN-VIFPVBQESA-N 1 2 234.255 1.120 20 0 BDADLO CS[C@H](C)CC(=O)OCC[NH+]1CCOCC1 ZINC000766915884 585511586 /nfs/dbraw/zinc/51/15/86/585511586.db2.gz JAKILFSPBMTKNG-SNVBAGLBSA-N 1 2 247.360 1.003 20 0 BDADLO CCC(C)(CC)C(=O)OCC[NH+]1CCOCC1 ZINC000767611036 585523068 /nfs/dbraw/zinc/52/30/68/585523068.db2.gz OUALTKXOSGTLRT-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CCOC(C[N@@H+]1CCC=C(F)C1)OCC ZINC000767820433 585526559 /nfs/dbraw/zinc/52/65/59/585526559.db2.gz FOLMVIMCFHEPJS-UHFFFAOYSA-N 1 2 217.284 1.945 20 0 BDADLO CCOC(C[N@H+]1CCC=C(F)C1)OCC ZINC000767820433 585526560 /nfs/dbraw/zinc/52/65/60/585526560.db2.gz FOLMVIMCFHEPJS-UHFFFAOYSA-N 1 2 217.284 1.945 20 0 BDADLO OCC[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000768330199 585535762 /nfs/dbraw/zinc/53/57/62/585535762.db2.gz POHRUHGMJQZZGW-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO OCC[N@@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000768330199 585535763 /nfs/dbraw/zinc/53/57/63/585535763.db2.gz POHRUHGMJQZZGW-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc(C)oc1C ZINC000768916051 585545942 /nfs/dbraw/zinc/54/59/42/585545942.db2.gz QAEBUWCFSWVWHI-UHFFFAOYSA-N 1 2 224.304 1.464 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc(C)oc1C ZINC000768916051 585545943 /nfs/dbraw/zinc/54/59/43/585545943.db2.gz QAEBUWCFSWVWHI-UHFFFAOYSA-N 1 2 224.304 1.464 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCC1CC1 ZINC000768933682 585546329 /nfs/dbraw/zinc/54/63/29/585546329.db2.gz VBACLIWGQJRSRP-UHFFFAOYSA-N 1 2 200.282 1.710 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)cc1F ZINC000769113508 585549113 /nfs/dbraw/zinc/54/91/13/585549113.db2.gz FWEWDANTUIUZOA-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1ccc(C[N@H+]2CCCNC(=O)C2)cc1F ZINC000769113508 585549114 /nfs/dbraw/zinc/54/91/14/585549114.db2.gz FWEWDANTUIUZOA-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000769192631 585551046 /nfs/dbraw/zinc/55/10/46/585551046.db2.gz OKMPYCVGHMXVRX-JTQLQIEISA-N 1 2 246.310 1.037 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000769192631 585551047 /nfs/dbraw/zinc/55/10/47/585551047.db2.gz OKMPYCVGHMXVRX-JTQLQIEISA-N 1 2 246.310 1.037 20 0 BDADLO c1ncc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cn1 ZINC000769297023 585552864 /nfs/dbraw/zinc/55/28/64/585552864.db2.gz FUXFNJBKKAIQBX-LBPRGKRZSA-N 1 2 249.314 1.204 20 0 BDADLO c1ncc(C[N@H+]2CCCC[C@H]2C2OCCO2)cn1 ZINC000769297023 585552865 /nfs/dbraw/zinc/55/28/65/585552865.db2.gz FUXFNJBKKAIQBX-LBPRGKRZSA-N 1 2 249.314 1.204 20 0 BDADLO C[N@H+](Cc1coc(C2CC2)n1)[C@H]1CCOC1 ZINC000769327612 585554118 /nfs/dbraw/zinc/55/41/18/585554118.db2.gz CTVRCGAXWOGCHX-NSHDSACASA-N 1 2 222.288 1.773 20 0 BDADLO C[N@@H+](Cc1coc(C2CC2)n1)[C@H]1CCOC1 ZINC000769327612 585554119 /nfs/dbraw/zinc/55/41/19/585554119.db2.gz CTVRCGAXWOGCHX-NSHDSACASA-N 1 2 222.288 1.773 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769863625 585565644 /nfs/dbraw/zinc/56/56/44/585565644.db2.gz GGRJYXPFUPERHM-JGVFFNPUSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769863625 585565645 /nfs/dbraw/zinc/56/56/45/585565645.db2.gz GGRJYXPFUPERHM-JGVFFNPUSA-N 1 2 237.221 1.576 20 0 BDADLO CC(C)OC[C@H]1C[N@H+](Cc2ccoc2)CCO1 ZINC000770689683 585579962 /nfs/dbraw/zinc/57/99/62/585579962.db2.gz RECGIXHAACSVNG-CYBMUJFWSA-N 1 2 239.315 1.905 20 0 BDADLO CC(C)OC[C@H]1C[N@@H+](Cc2ccoc2)CCO1 ZINC000770689683 585579963 /nfs/dbraw/zinc/57/99/63/585579963.db2.gz RECGIXHAACSVNG-CYBMUJFWSA-N 1 2 239.315 1.905 20 0 BDADLO Cc1cnc([C@@H](C)O[NH+]=C(N)COC(C)C)o1 ZINC000770693257 585580084 /nfs/dbraw/zinc/58/00/84/585580084.db2.gz HJPMQZINBKQBID-SECBINFHSA-N 1 2 241.291 1.967 20 0 BDADLO CO[C@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922906 585584207 /nfs/dbraw/zinc/58/42/07/585584207.db2.gz UHUUSPMYVOJSMA-SECBINFHSA-N 1 2 234.255 1.412 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(F)(F)F ZINC000771407624 585594003 /nfs/dbraw/zinc/59/40/03/585594003.db2.gz SDQUMBJJIUTJBN-NKWVEPMBSA-N 1 2 224.226 1.100 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(F)(F)F ZINC000771407624 585594004 /nfs/dbraw/zinc/59/40/04/585594004.db2.gz SDQUMBJJIUTJBN-NKWVEPMBSA-N 1 2 224.226 1.100 20 0 BDADLO Cn1ncc(NC(=O)Cn2cc[nH+]c2)c1C1CC1 ZINC000771488202 585595363 /nfs/dbraw/zinc/59/53/63/585595363.db2.gz KJZAJSFCPMXFPY-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO COC(=O)C[N@H+](CCC(C)=O)Cc1ccccc1 ZINC000771806003 585600763 /nfs/dbraw/zinc/60/07/63/585600763.db2.gz IWMQAVWIMMHDPA-UHFFFAOYSA-N 1 2 249.310 1.641 20 0 BDADLO COC(=O)C[N@@H+](CCC(C)=O)Cc1ccccc1 ZINC000771806003 585600764 /nfs/dbraw/zinc/60/07/64/585600764.db2.gz IWMQAVWIMMHDPA-UHFFFAOYSA-N 1 2 249.310 1.641 20 0 BDADLO COCC(=O)OCc1ccc(C)[nH+]c1C ZINC000771888680 585603896 /nfs/dbraw/zinc/60/38/96/585603896.db2.gz DKRFIKHMMGLICC-UHFFFAOYSA-N 1 2 209.245 1.388 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1(F)CCCC1 ZINC000771894081 585604136 /nfs/dbraw/zinc/60/41/36/585604136.db2.gz MXTDXDQJFJSTJO-UHFFFAOYSA-N 1 2 225.267 1.282 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1=COCC1 ZINC000805454685 585605187 /nfs/dbraw/zinc/60/51/87/585605187.db2.gz ONHGNGHLYUECCP-UHFFFAOYSA-N 1 2 235.239 1.438 20 0 BDADLO Cc1ocnc1C(=O)OCCn1cc[nH+]c1 ZINC000771960956 585605382 /nfs/dbraw/zinc/60/53/82/585605382.db2.gz QAJOKZKTBKAOMW-UHFFFAOYSA-N 1 2 221.216 1.037 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1Cc2ccccc21 ZINC000771977654 585605844 /nfs/dbraw/zinc/60/58/44/585605844.db2.gz VSOUUTKXHYQQPR-ZDUSSCGKSA-N 1 2 242.278 1.766 20 0 BDADLO COc1cccc(C(=O)OCCn2cc[nH+]c2)n1 ZINC000771994019 585606400 /nfs/dbraw/zinc/60/64/00/585606400.db2.gz IMHRJNNRQGXGAD-UHFFFAOYSA-N 1 2 247.254 1.144 20 0 BDADLO Cc1[nH]ccc1C(=O)OCCn1cc[nH+]c1 ZINC000771995890 585606444 /nfs/dbraw/zinc/60/64/44/585606444.db2.gz SMDVKDZZZLNLCE-UHFFFAOYSA-N 1 2 219.244 1.377 20 0 BDADLO Cc1ccc(COC(=O)c2nonc2N)c(C)[nH+]1 ZINC000772051582 585607743 /nfs/dbraw/zinc/60/77/43/585607743.db2.gz CYLVFUUQGUBZQM-UHFFFAOYSA-N 1 2 248.242 1.021 20 0 BDADLO Cc1ccc(COC(=O)c2cncnc2)c(C)[nH+]1 ZINC000772321205 585612566 /nfs/dbraw/zinc/61/25/66/585612566.db2.gz OAOAMLMEDZQVSN-UHFFFAOYSA-N 1 2 243.266 1.845 20 0 BDADLO CC/C=C(/C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000772776872 585623407 /nfs/dbraw/zinc/62/34/07/585623407.db2.gz GFFRZYSBFCLVNS-ZUYFITGHSA-N 1 2 233.315 1.740 20 0 BDADLO CCC=C(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000772776872 585623408 /nfs/dbraw/zinc/62/34/08/585623408.db2.gz GFFRZYSBFCLVNS-ZUYFITGHSA-N 1 2 233.315 1.740 20 0 BDADLO CCC/C=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772811819 585624680 /nfs/dbraw/zinc/62/46/80/585624680.db2.gz IMMKJFCJLWGXME-LWTINBJPSA-N 1 2 233.315 1.740 20 0 BDADLO CCCC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772811819 585624681 /nfs/dbraw/zinc/62/46/81/585624681.db2.gz IMMKJFCJLWGXME-LWTINBJPSA-N 1 2 233.315 1.740 20 0 BDADLO CCCCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805473378 585625909 /nfs/dbraw/zinc/62/59/09/585625909.db2.gz MBCGPPGFEJDXLH-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805473378 585625910 /nfs/dbraw/zinc/62/59/10/585625910.db2.gz MBCGPPGFEJDXLH-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCC[C@@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805478659 585634107 /nfs/dbraw/zinc/63/41/07/585634107.db2.gz XULWXWBGEKBFAI-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805478659 585634108 /nfs/dbraw/zinc/63/41/08/585634108.db2.gz XULWXWBGEKBFAI-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCC/C=C/C(=O)NCCc1c[nH+]cn1C ZINC000773854702 585644940 /nfs/dbraw/zinc/64/49/40/585644940.db2.gz WYVANMNLFYGPIG-AATRIKPKSA-N 1 2 221.304 1.435 20 0 BDADLO COC(=O)c1cccc(NCc2[nH+]ccn2C)n1 ZINC000774529833 585660915 /nfs/dbraw/zinc/66/09/15/585660915.db2.gz VJWDSJBLFVTZMM-UHFFFAOYSA-N 1 2 246.270 1.214 20 0 BDADLO CON(C)C(=O)C[N@H+](Cc1ccco1)C(C)C ZINC000774581120 585661407 /nfs/dbraw/zinc/66/14/07/585661407.db2.gz FYAKKUYFSCUOOP-UHFFFAOYSA-N 1 2 240.303 1.510 20 0 BDADLO CON(C)C(=O)C[N@@H+](Cc1ccco1)C(C)C ZINC000774581120 585661408 /nfs/dbraw/zinc/66/14/08/585661408.db2.gz FYAKKUYFSCUOOP-UHFFFAOYSA-N 1 2 240.303 1.510 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1ccncn1 ZINC000805533809 585672479 /nfs/dbraw/zinc/67/24/79/585672479.db2.gz XUWTZXUDFDXNFC-UHFFFAOYSA-N 1 2 245.238 1.237 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cn[nH]c1C ZINC000805542712 585675337 /nfs/dbraw/zinc/67/53/37/585675337.db2.gz UCPJHCVLYCNCFD-UHFFFAOYSA-N 1 2 247.254 1.479 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000775566656 585679970 /nfs/dbraw/zinc/67/99/70/585679970.db2.gz QPVUFULHUWYPLK-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000775566656 585679971 /nfs/dbraw/zinc/67/99/71/585679971.db2.gz QPVUFULHUWYPLK-VIFPVBQESA-N 1 2 237.303 1.558 20 0 BDADLO O=C(NOC1CCCC1)c1cccc2[nH+]ccn21 ZINC000775599335 585681236 /nfs/dbraw/zinc/68/12/36/585681236.db2.gz XGFLQWLEJKPBPY-UHFFFAOYSA-N 1 2 245.282 1.938 20 0 BDADLO CCOCC[NH+]1CC(OC(=O)[C@H](C)CC)C1 ZINC000776306009 585695207 /nfs/dbraw/zinc/69/52/07/585695207.db2.gz JWRQUOUZOSMFPI-SNVBAGLBSA-N 1 2 229.320 1.296 20 0 BDADLO O=C(N[C@H]1CCSC1)c1cccc2[nH+]ccn21 ZINC000776709164 585703437 /nfs/dbraw/zinc/70/34/37/585703437.db2.gz RJKITCLMJPIGRZ-VIFPVBQESA-N 1 2 247.323 1.570 20 0 BDADLO FC(F)(F)C1=CC[N@H+](Cn2cnnc2)CC1 ZINC000776762144 585703733 /nfs/dbraw/zinc/70/37/33/585703733.db2.gz JNDBESDWXGQDRU-UHFFFAOYSA-N 1 2 232.209 1.430 20 0 BDADLO FC(F)(F)C1=CC[N@@H+](Cn2cnnc2)CC1 ZINC000776762144 585703734 /nfs/dbraw/zinc/70/37/34/585703734.db2.gz JNDBESDWXGQDRU-UHFFFAOYSA-N 1 2 232.209 1.430 20 0 BDADLO CC(Cl)(Cl)C(=O)OCCn1cc[nH+]c1 ZINC000777227035 585709792 /nfs/dbraw/zinc/70/97/92/585709792.db2.gz QEYXOELIHDCTSD-UHFFFAOYSA-N 1 2 237.086 1.620 20 0 BDADLO CS/C=C\C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777457529 585712820 /nfs/dbraw/zinc/71/28/20/585712820.db2.gz QUFCQIYAUFMFMA-OTOXVQDCSA-N 1 2 237.328 1.950 20 0 BDADLO Cc1cccc(C[N@H+](C)CC2OCCO2)n1 ZINC000777620626 585717247 /nfs/dbraw/zinc/71/72/47/585717247.db2.gz RUYQZVQEEPIXLQ-UHFFFAOYSA-N 1 2 222.288 1.195 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC2OCCO2)n1 ZINC000777620626 585717248 /nfs/dbraw/zinc/71/72/48/585717248.db2.gz RUYQZVQEEPIXLQ-UHFFFAOYSA-N 1 2 222.288 1.195 20 0 BDADLO C[C@H]1CC[N@H+](CN2CC(C)(C)OC2=O)C[C@H]1F ZINC000777964223 585724656 /nfs/dbraw/zinc/72/46/56/585724656.db2.gz NAIKNRRQIRBGAO-VHSXEESVSA-N 1 2 244.310 1.855 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CC(C)(C)OC2=O)C[C@H]1F ZINC000777964223 585724657 /nfs/dbraw/zinc/72/46/57/585724657.db2.gz NAIKNRRQIRBGAO-VHSXEESVSA-N 1 2 244.310 1.855 20 0 BDADLO Cc1cnc(CN2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000778229041 585728345 /nfs/dbraw/zinc/72/83/45/585728345.db2.gz NRHZWUMGLNWASG-NSHDSACASA-N 1 2 243.314 1.845 20 0 BDADLO COC(=O)/C(C)=C\CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000778228831 585728545 /nfs/dbraw/zinc/72/85/45/585728545.db2.gz PEFFMRZLBCIZLP-GULOHRGCSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778228831 585728546 /nfs/dbraw/zinc/72/85/46/585728546.db2.gz PEFFMRZLBCIZLP-GULOHRGCSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778228831 585728547 /nfs/dbraw/zinc/72/85/47/585728547.db2.gz PEFFMRZLBCIZLP-GULOHRGCSA-N 1 2 249.314 1.666 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C/C=C/Cl ZINC000778418044 585734659 /nfs/dbraw/zinc/73/46/59/585734659.db2.gz QWILVXJRRXWWKI-BRAIEQGRSA-N 1 2 230.739 1.682 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C/C=C/Cl ZINC000778418044 585734660 /nfs/dbraw/zinc/73/46/60/585734660.db2.gz QWILVXJRRXWWKI-BRAIEQGRSA-N 1 2 230.739 1.682 20 0 BDADLO C[C@@H](C(=O)OC[C@H]1C[C@H]1C)[NH+]1CCSCC1 ZINC000778617885 585738312 /nfs/dbraw/zinc/73/83/12/585738312.db2.gz KXCCPUPYUWNCSQ-OUAUKWLOSA-N 1 2 243.372 1.623 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)[C@H]1CCCOC1 ZINC000778987188 585743564 /nfs/dbraw/zinc/74/35/64/585743564.db2.gz PRBJZRKHWWLTNT-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000778987188 585743565 /nfs/dbraw/zinc/74/35/65/585743565.db2.gz PRBJZRKHWWLTNT-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C/C(=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094873 585745164 /nfs/dbraw/zinc/74/51/64/585745164.db2.gz FUYUJQGJSNGYPB-CUZBXDDWSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779098147 585745309 /nfs/dbraw/zinc/74/53/09/585745309.db2.gz ZVRWDXQQKWEWKN-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO C[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@H]1O ZINC000779200110 585747009 /nfs/dbraw/zinc/74/70/09/585747009.db2.gz UTPPEQZWPLKDKG-JOYOIKCWSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@H]1O ZINC000779200110 585747010 /nfs/dbraw/zinc/74/70/10/585747010.db2.gz UTPPEQZWPLKDKG-JOYOIKCWSA-N 1 2 236.315 1.755 20 0 BDADLO Cc1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000779428980 585754848 /nfs/dbraw/zinc/75/48/48/585754848.db2.gz LVKBAVLRPJCLAL-JTQLQIEISA-N 1 2 229.287 1.850 20 0 BDADLO CC[C@H]1C[C@@H](C(=O)NC2=[NH+]CCS2)CCO1 ZINC000779785936 585763347 /nfs/dbraw/zinc/76/33/47/585763347.db2.gz WVWMRRHVZQQVOP-IUCAKERBSA-N 1 2 242.344 1.411 20 0 BDADLO CC[C@H]1C[C@H](C(=O)NC2=[NH+]CCS2)CCO1 ZINC000779785931 585763367 /nfs/dbraw/zinc/76/33/67/585763367.db2.gz WVWMRRHVZQQVOP-BDAKNGLRSA-N 1 2 242.344 1.411 20 0 BDADLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C1=CCC1 ZINC000779791550 585763796 /nfs/dbraw/zinc/76/37/96/585763796.db2.gz KNBHWEBEQABQFN-UHFFFAOYSA-N 1 2 240.266 1.926 20 0 BDADLO C[NH+](C)[C@@H](C(=O)OCCCO)c1ccccc1 ZINC000780090995 585772356 /nfs/dbraw/zinc/77/23/56/585772356.db2.gz WGVYLXIKHBKIIU-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO NC(CCO)=[NH+]OCc1ccc(CF)cc1 ZINC000780127712 585772711 /nfs/dbraw/zinc/77/27/11/585772711.db2.gz JZYBMCKLVRSLPM-UHFFFAOYSA-N 1 2 226.251 1.537 20 0 BDADLO CSc1ccc(CO[NH+]=C(N)CCO)cc1 ZINC000780126322 585772802 /nfs/dbraw/zinc/77/28/02/585772802.db2.gz XXYMBURFNDJQGD-UHFFFAOYSA-N 1 2 240.328 1.789 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859261991 589025612 /nfs/dbraw/zinc/02/56/12/589025612.db2.gz SXBQHEDQSVNTAF-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859261991 589025614 /nfs/dbraw/zinc/02/56/14/589025614.db2.gz SXBQHEDQSVNTAF-NSHDSACASA-N 1 2 243.738 1.420 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1ccnn1C ZINC000781153075 585791679 /nfs/dbraw/zinc/79/16/79/585791679.db2.gz XCYAANKRPNHHEN-UHFFFAOYSA-N 1 2 244.298 1.775 20 0 BDADLO COC1CC(C[N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC000859268599 589025643 /nfs/dbraw/zinc/02/56/43/589025643.db2.gz CDHLZGVONMIQHF-KYHHOPLUSA-N 1 2 235.274 1.113 20 0 BDADLO COC1CC(C[N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC000859268599 589025645 /nfs/dbraw/zinc/02/56/45/589025645.db2.gz CDHLZGVONMIQHF-KYHHOPLUSA-N 1 2 235.274 1.113 20 0 BDADLO Cc1nc(C[N@H+](C)CCCCCCCO)no1 ZINC000782055285 585807602 /nfs/dbraw/zinc/80/76/02/585807602.db2.gz QDTWABUXLXARTC-UHFFFAOYSA-N 1 2 241.335 1.753 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCCCCCO)no1 ZINC000782055285 585807603 /nfs/dbraw/zinc/80/76/03/585807603.db2.gz QDTWABUXLXARTC-UHFFFAOYSA-N 1 2 241.335 1.753 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)Cc1cccs1 ZINC000782329818 585815108 /nfs/dbraw/zinc/81/51/08/585815108.db2.gz SVCIGTINCYYSJY-QMMMGPOBSA-N 1 2 228.317 1.824 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@H]3C[C@@]3(CO)C2)[nH+]1 ZINC000782400726 585817382 /nfs/dbraw/zinc/81/73/82/585817382.db2.gz ACCSBHUFXOIJFF-RNCFNFMXSA-N 1 2 244.298 1.085 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CC1(O)CCCCC1)CC2 ZINC000782514477 585819253 /nfs/dbraw/zinc/81/92/53/585819253.db2.gz UPSMLTPZQRPWKD-UHFFFAOYSA-N 1 2 249.358 1.702 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CC1(O)CCCCC1)CC2 ZINC000782514477 585819254 /nfs/dbraw/zinc/81/92/54/585819254.db2.gz UPSMLTPZQRPWKD-UHFFFAOYSA-N 1 2 249.358 1.702 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782630363 585823489 /nfs/dbraw/zinc/82/34/89/585823489.db2.gz WYCPJVLUBJDAAJ-YPMHNXCESA-N 1 2 235.331 1.278 20 0 BDADLO CC(C)n1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782630363 585823490 /nfs/dbraw/zinc/82/34/90/585823490.db2.gz WYCPJVLUBJDAAJ-YPMHNXCESA-N 1 2 235.331 1.278 20 0 BDADLO O=C(CC1CC1)OCCCn1cc[nH+]c1 ZINC000782728653 585824165 /nfs/dbraw/zinc/82/41/65/585824165.db2.gz YXIGXSHAKOZJRS-UHFFFAOYSA-N 1 2 208.261 1.617 20 0 BDADLO CCO[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000782887878 585825437 /nfs/dbraw/zinc/82/54/37/585825437.db2.gz WSFWNJIGSSZASU-JTQLQIEISA-N 1 2 226.276 1.241 20 0 BDADLO CCOCCCC(=O)OCCCn1cc[nH+]c1 ZINC000782899386 585825672 /nfs/dbraw/zinc/82/56/72/585825672.db2.gz SGUXNMBXJUTTMY-UHFFFAOYSA-N 1 2 240.303 1.633 20 0 BDADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCO[C@H](C)C1 ZINC000783025522 585827230 /nfs/dbraw/zinc/82/72/30/585827230.db2.gz CDWXUTYOFGASNF-MNOVXSKESA-N 1 2 244.335 1.725 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CCO[C@@H](C)C1 ZINC000783040737 585827307 /nfs/dbraw/zinc/82/73/07/585827307.db2.gz UTKFZPGUTZKQRS-AEJSXWLSSA-N 1 2 230.308 1.335 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC[C@H]1CCO[C@H](C)C1 ZINC000783040738 585827476 /nfs/dbraw/zinc/82/74/76/585827476.db2.gz UTKFZPGUTZKQRS-BBBLOLIVSA-N 1 2 230.308 1.335 20 0 BDADLO COC[C@@H](C)O[NH+]=C(N)Cc1cccc(F)c1 ZINC000783155365 585828774 /nfs/dbraw/zinc/82/87/74/585828774.db2.gz BJHKEFPMKAVFGI-SECBINFHSA-N 1 2 240.278 1.902 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCOC2=S)[C@H](C)[C@@H](C)O1 ZINC000783542259 585836416 /nfs/dbraw/zinc/83/64/16/585836416.db2.gz IYUGNQILYSNVJA-OPRDCNLKSA-N 1 2 244.360 1.059 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCOC2=S)[C@H](C)[C@@H](C)O1 ZINC000783542259 585836417 /nfs/dbraw/zinc/83/64/17/585836417.db2.gz IYUGNQILYSNVJA-OPRDCNLKSA-N 1 2 244.360 1.059 20 0 BDADLO O=C(CCn1cccc1)OCCCn1cc[nH+]c1 ZINC000784039348 585847536 /nfs/dbraw/zinc/84/75/36/585847536.db2.gz MPHLTNPELOEWRN-UHFFFAOYSA-N 1 2 247.298 1.708 20 0 BDADLO CC(C)OCCCC(=O)OCc1c[nH+]cn1C ZINC000784883391 585867618 /nfs/dbraw/zinc/86/76/18/585867618.db2.gz QGEIABFQTGTYHY-UHFFFAOYSA-N 1 2 240.303 1.669 20 0 BDADLO C/C=C/C=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784920358 585868453 /nfs/dbraw/zinc/86/84/53/585868453.db2.gz GSDQNDDTWZFHAQ-KVOZUEDISA-N 1 2 239.315 1.383 20 0 BDADLO C/C=C(\C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784915648 585868595 /nfs/dbraw/zinc/86/85/95/585868595.db2.gz VROSWGICCVZURX-LLMHMKPQSA-N 1 2 227.304 1.217 20 0 BDADLO CC(C)/C=C/C(=O)OCCn1cc[nH+]c1 ZINC000785077604 585870452 /nfs/dbraw/zinc/87/04/52/585870452.db2.gz LTFAJOOKZYTAEI-ONEGZZNKSA-N 1 2 208.261 1.639 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785421637 585873286 /nfs/dbraw/zinc/87/32/86/585873286.db2.gz PSIXTYGXLMOOET-SGDMMICCSA-N 1 2 207.277 1.943 20 0 BDADLO CC=C(C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785421637 585873287 /nfs/dbraw/zinc/87/32/87/585873287.db2.gz PSIXTYGXLMOOET-SGDMMICCSA-N 1 2 207.277 1.943 20 0 BDADLO CCn1ncnc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000785766817 585880019 /nfs/dbraw/zinc/88/00/19/585880019.db2.gz LRCAFZYSIVBYAG-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO CCn1ncnc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000785766817 585880020 /nfs/dbraw/zinc/88/00/20/585880020.db2.gz LRCAFZYSIVBYAG-MRVPVSSYSA-N 1 2 248.252 1.682 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCF ZINC000786441381 585891655 /nfs/dbraw/zinc/89/16/55/585891655.db2.gz OWAIUDWYICQMNS-GUBZILKMSA-N 1 2 215.268 1.229 20 0 BDADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCF ZINC000786441381 585891656 /nfs/dbraw/zinc/89/16/56/585891656.db2.gz OWAIUDWYICQMNS-GUBZILKMSA-N 1 2 215.268 1.229 20 0 BDADLO Nc1cc(COC(=O)CCc2ccco2)cc[nH+]1 ZINC000787575257 585912175 /nfs/dbraw/zinc/91/21/75/585912175.db2.gz ZLVRQYOOJBZLKB-UHFFFAOYSA-N 1 2 246.266 1.933 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCCCCO1 ZINC000788489168 585925688 /nfs/dbraw/zinc/92/56/88/585925688.db2.gz SLNOPSBZISCIMH-UHFFFAOYSA-N 1 2 245.282 1.892 20 0 BDADLO C/C=C(\CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000788747972 585929789 /nfs/dbraw/zinc/92/97/89/585929789.db2.gz PTJVBCDZYHRJSS-DWGGBAKOSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/CC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000788961831 585932537 /nfs/dbraw/zinc/93/25/37/585932537.db2.gz ZFLQQFWZZPGOLZ-WCIBSUBMSA-N 1 2 233.315 1.890 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000788963911 585932568 /nfs/dbraw/zinc/93/25/68/585932568.db2.gz AQUKSIJBWXNLRG-CGXZDELUSA-N 1 2 233.315 1.670 20 0 BDADLO COc1cc[nH+]c(CN(C)OC)c1OC ZINC000789307240 585939356 /nfs/dbraw/zinc/93/93/56/585939356.db2.gz UPSXARNUPUVYTE-UHFFFAOYSA-N 1 2 212.249 1.092 20 0 BDADLO C[C@@H](O)CCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000789367629 585941495 /nfs/dbraw/zinc/94/14/95/585941495.db2.gz QKZZUHBJRBDMLD-SECBINFHSA-N 1 2 245.754 1.666 20 0 BDADLO C[C@@H](O)CCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000789367629 585941496 /nfs/dbraw/zinc/94/14/96/585941496.db2.gz QKZZUHBJRBDMLD-SECBINFHSA-N 1 2 245.754 1.666 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)OCCCc1[nH+]ccn1C ZINC000789790812 585950030 /nfs/dbraw/zinc/95/00/30/585950030.db2.gz CNKXJEXSFCUHLY-UWVGGRQHSA-N 1 2 222.288 1.552 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1nc(Cl)cs1 ZINC000789956199 585954723 /nfs/dbraw/zinc/95/47/23/585954723.db2.gz BHDFYSRUKPNAMH-UHFFFAOYSA-N 1 2 242.691 1.450 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1nc(Cl)cs1 ZINC000789956199 585954724 /nfs/dbraw/zinc/95/47/24/585954724.db2.gz BHDFYSRUKPNAMH-UHFFFAOYSA-N 1 2 242.691 1.450 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000790338656 585964185 /nfs/dbraw/zinc/96/41/85/585964185.db2.gz NOJKXDVOPHFILE-RKDXNWHRSA-N 1 2 247.302 1.626 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CCOCC(F)F ZINC000791817291 585988703 /nfs/dbraw/zinc/98/87/03/585988703.db2.gz BJAQBBVDKWUKFM-UHFFFAOYSA-N 1 2 248.229 1.135 20 0 BDADLO c1cnc(C[N@@H+]2CCCC[C@H]2C2OCCO2)nc1 ZINC000792220380 585998102 /nfs/dbraw/zinc/99/81/02/585998102.db2.gz RNBPPWUPFIOGRS-NSHDSACASA-N 1 2 249.314 1.204 20 0 BDADLO c1cnc(C[N@H+]2CCCC[C@H]2C2OCCO2)nc1 ZINC000792220380 585998103 /nfs/dbraw/zinc/99/81/03/585998103.db2.gz RNBPPWUPFIOGRS-NSHDSACASA-N 1 2 249.314 1.204 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1C/C(Cl)=C\Cl ZINC000792372598 586000319 /nfs/dbraw/zinc/00/03/19/586000319.db2.gz XNHXGAOSGHERNL-PUSOHNNWSA-N 1 2 247.129 1.974 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1C/C(Cl)=C\Cl ZINC000792372598 586000320 /nfs/dbraw/zinc/00/03/20/586000320.db2.gz XNHXGAOSGHERNL-PUSOHNNWSA-N 1 2 247.129 1.974 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@]1(CC)CCOC1 ZINC000792426927 586000704 /nfs/dbraw/zinc/00/07/04/586000704.db2.gz OTPRRRWKARWKEU-YPMHNXCESA-N 1 2 243.347 1.877 20 0 BDADLO CC1(F)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000792523316 586001504 /nfs/dbraw/zinc/00/15/04/586001504.db2.gz QEYLJGJQEQKESH-UHFFFAOYSA-N 1 2 233.246 1.518 20 0 BDADLO OC1(c2ccc(F)cc2)CN(Cc2c[nH+]c[nH]2)C1 ZINC000792875920 586006044 /nfs/dbraw/zinc/00/60/44/586006044.db2.gz OFPAURDWBXMFQD-UHFFFAOYSA-N 1 2 247.273 1.252 20 0 BDADLO OC1(c2ccc(F)cc2)CN(Cc2c[nH]c[nH+]2)C1 ZINC000792875920 586006045 /nfs/dbraw/zinc/00/60/45/586006045.db2.gz OFPAURDWBXMFQD-UHFFFAOYSA-N 1 2 247.273 1.252 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)/C=C\C1CC1 ZINC000793237082 586014781 /nfs/dbraw/zinc/01/47/81/586014781.db2.gz DXGDEASCOUUOBH-PLNGDYQASA-N 1 2 220.272 1.472 20 0 BDADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)c(C)[nH]1 ZINC000793255601 586015454 /nfs/dbraw/zinc/01/54/54/586015454.db2.gz DHDOIRGCSUVEGX-UHFFFAOYSA-N 1 2 247.298 1.765 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cn1ncn(C)c1=S ZINC000793809135 586026688 /nfs/dbraw/zinc/02/66/88/586026688.db2.gz ILZRWKPUXPQPNL-MRVPVSSYSA-N 1 2 212.322 1.393 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cn1ncn(C)c1=S ZINC000793809135 586026689 /nfs/dbraw/zinc/02/66/89/586026689.db2.gz ILZRWKPUXPQPNL-MRVPVSSYSA-N 1 2 212.322 1.393 20 0 BDADLO CC[C@H]1CC[N@@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000793820832 586027316 /nfs/dbraw/zinc/02/73/16/586027316.db2.gz MXQFKKFEHHQATB-QMMMGPOBSA-N 1 2 242.344 1.902 20 0 BDADLO CC[C@H]1CC[N@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000793820832 586027317 /nfs/dbraw/zinc/02/73/17/586027317.db2.gz MXQFKKFEHHQATB-QMMMGPOBSA-N 1 2 242.344 1.902 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC(F)(F)CC1 ZINC000794292658 586037422 /nfs/dbraw/zinc/03/74/22/586037422.db2.gz AYECVBKTAWZZCK-UHFFFAOYSA-N 1 2 243.257 1.220 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794583460 586044939 /nfs/dbraw/zinc/04/49/39/586044939.db2.gz IFZXTRYCLNRGJT-GCZGVDRJSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000794583460 586044940 /nfs/dbraw/zinc/04/49/40/586044940.db2.gz IFZXTRYCLNRGJT-GCZGVDRJSA-N 1 2 249.314 1.666 20 0 BDADLO CCOC1(C)CC[NH+](Cc2cnn(C)n2)CC1 ZINC000794633631 586045989 /nfs/dbraw/zinc/04/59/89/586045989.db2.gz NAZLGUCICSBPHW-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO Cn1cnn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1=O ZINC000794682611 586046884 /nfs/dbraw/zinc/04/68/84/586046884.db2.gz ATNVQGDDYZKOCA-JTQLQIEISA-N 1 2 238.335 1.050 20 0 BDADLO Cn1cnn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1=O ZINC000794682611 586046885 /nfs/dbraw/zinc/04/68/85/586046885.db2.gz ATNVQGDDYZKOCA-JTQLQIEISA-N 1 2 238.335 1.050 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)(C)C)o1)[C@H](C)CO ZINC000794691019 586047075 /nfs/dbraw/zinc/04/70/75/586047075.db2.gz IQHCUSPIUUQNQU-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)(C)C)o1)[C@H](C)CO ZINC000794691019 586047076 /nfs/dbraw/zinc/04/70/76/586047076.db2.gz IQHCUSPIUUQNQU-SECBINFHSA-N 1 2 241.335 1.570 20 0 BDADLO NC(Cc1cccs1)=[NH+]OCC1OCCO1 ZINC000794719629 586047292 /nfs/dbraw/zinc/04/72/92/586047292.db2.gz HAQONWCUZLXOJA-UHFFFAOYSA-N 1 2 242.300 1.162 20 0 BDADLO CC1=CCC[N@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795455651 586079591 /nfs/dbraw/zinc/07/95/91/586079591.db2.gz JYSAXBDAOOQGDA-SNVBAGLBSA-N 1 2 244.285 1.710 20 0 BDADLO CC1=CCC[N@@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795455651 586079593 /nfs/dbraw/zinc/07/95/93/586079593.db2.gz JYSAXBDAOOQGDA-SNVBAGLBSA-N 1 2 244.285 1.710 20 0 BDADLO O=C(C[C@H]1CCCOC1)OCCn1cc[nH+]c1 ZINC000795910859 586094359 /nfs/dbraw/zinc/09/43/59/586094359.db2.gz NCYJTCRBCGBMSS-LLVKDONJSA-N 1 2 238.287 1.243 20 0 BDADLO O=C(CCC(F)F)OCCn1cc[nH+]c1 ZINC000796026115 586096649 /nfs/dbraw/zinc/09/66/49/586096649.db2.gz ZEKRKKSOTASLFK-UHFFFAOYSA-N 1 2 218.203 1.472 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)C1(CO)CC1 ZINC000796502526 586105407 /nfs/dbraw/zinc/10/54/07/586105407.db2.gz UJJQMUPPYSREAH-SNVBAGLBSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)C1(CO)CC1 ZINC000796502526 586105408 /nfs/dbraw/zinc/10/54/08/586105408.db2.gz UJJQMUPPYSREAH-SNVBAGLBSA-N 1 2 229.320 1.175 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)C1(CO)CC1 ZINC000796503588 586105465 /nfs/dbraw/zinc/10/54/65/586105465.db2.gz NUEXEYHJKQQWRV-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)C1(CO)CC1 ZINC000796503588 586105466 /nfs/dbraw/zinc/10/54/66/586105466.db2.gz NUEXEYHJKQQWRV-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO O[C@@H](C[NH2+][C@H]1CCCc2[nH]ncc21)c1ccco1 ZINC000796684313 586109986 /nfs/dbraw/zinc/10/99/86/586109986.db2.gz SLOJDGAEAKXSKU-JQWIXIFHSA-N 1 2 247.298 1.703 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C1=COCCO1 ZINC000798140914 586138199 /nfs/dbraw/zinc/13/81/99/586138199.db2.gz JSWMFJSPLCRPGU-UHFFFAOYSA-N 1 2 245.238 1.161 20 0 BDADLO C[N@H+](CC[S@@](C)=O)Cc1ccco1 ZINC000798193335 586139715 /nfs/dbraw/zinc/13/97/15/586139715.db2.gz KMZHUKFPHRLHHZ-CYBMUJFWSA-N 1 2 201.291 1.090 20 0 BDADLO C[N@@H+](CC[S@@](C)=O)Cc1ccco1 ZINC000798193335 586139716 /nfs/dbraw/zinc/13/97/16/586139716.db2.gz KMZHUKFPHRLHHZ-CYBMUJFWSA-N 1 2 201.291 1.090 20 0 BDADLO NC(CCO)=[NH+]OCc1cnc2ccccc2c1 ZINC000799176118 586164675 /nfs/dbraw/zinc/16/46/75/586164675.db2.gz DZKXSZLIKUXASC-UHFFFAOYSA-N 1 2 245.282 1.616 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197456 586167561 /nfs/dbraw/zinc/16/75/61/586167561.db2.gz XWXHWNUDNUZALK-CMPLNLGQSA-N 1 2 232.283 1.186 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197456 586167562 /nfs/dbraw/zinc/16/75/62/586167562.db2.gz XWXHWNUDNUZALK-CMPLNLGQSA-N 1 2 232.283 1.186 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859350172 589032940 /nfs/dbraw/zinc/03/29/40/589032940.db2.gz PDZNNAPEAIKLRB-WCBMZHEXSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859350172 589032941 /nfs/dbraw/zinc/03/29/41/589032941.db2.gz PDZNNAPEAIKLRB-WCBMZHEXSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H](C)C1(F)F ZINC000859414275 589035966 /nfs/dbraw/zinc/03/59/66/589035966.db2.gz HQLDSWUHVAJADW-OCAPTIKFSA-N 1 2 231.246 1.793 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnon2)C[C@H](C)C1(F)F ZINC000859414275 589035967 /nfs/dbraw/zinc/03/59/67/589035967.db2.gz HQLDSWUHVAJADW-OCAPTIKFSA-N 1 2 231.246 1.793 20 0 BDADLO COC(=O)c1ccc(/C=C\c2cn(C)c[nH+]2)nc1 ZINC000800792596 586229092 /nfs/dbraw/zinc/22/90/92/586229092.db2.gz BSMAMQBUBMOQEI-WAYWQWQTSA-N 1 2 243.266 1.772 20 0 BDADLO Cc1[nH]c(C=O)cc1C(=O)OCCn1cc[nH+]c1 ZINC000801409629 586256312 /nfs/dbraw/zinc/25/63/12/586256312.db2.gz XCORTHKCULTFAP-UHFFFAOYSA-N 1 2 247.254 1.189 20 0 BDADLO CC1(C)CC[C@H](C[N@@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801568069 586260702 /nfs/dbraw/zinc/26/07/02/586260702.db2.gz XAOQQMQXURZXEB-ZJUUUORDSA-N 1 2 249.301 1.910 20 0 BDADLO CC1(C)CC[C@H](C[N@H+]2CCO[C@H](C(F)F)C2)O1 ZINC000801568069 586260704 /nfs/dbraw/zinc/26/07/04/586260704.db2.gz XAOQQMQXURZXEB-ZJUUUORDSA-N 1 2 249.301 1.910 20 0 BDADLO FC(F)[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000801559760 586262617 /nfs/dbraw/zinc/26/26/17/586262617.db2.gz LNZIHELTOTWOFI-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000801559760 586262618 /nfs/dbraw/zinc/26/26/18/586262618.db2.gz LNZIHELTOTWOFI-IUCAKERBSA-N 1 2 221.247 1.131 20 0 BDADLO FC(F)[C@@H]1C[N@H+](CCc2ccncc2)CCO1 ZINC000801563445 586263411 /nfs/dbraw/zinc/26/34/11/586263411.db2.gz DBIQVNVLGLLDEU-NSHDSACASA-N 1 2 242.269 1.590 20 0 BDADLO FC(F)[C@@H]1C[N@@H+](CCc2ccncc2)CCO1 ZINC000801563445 586263414 /nfs/dbraw/zinc/26/34/14/586263414.db2.gz DBIQVNVLGLLDEU-NSHDSACASA-N 1 2 242.269 1.590 20 0 BDADLO O=C(Cc1ccco1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802236699 586297163 /nfs/dbraw/zinc/29/71/63/586297163.db2.gz PDEHTMJNXUUMKY-NSHDSACASA-N 1 2 241.262 1.409 20 0 BDADLO O=C(Cc1ccco1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802236699 586297165 /nfs/dbraw/zinc/29/71/65/586297165.db2.gz PDEHTMJNXUUMKY-NSHDSACASA-N 1 2 241.262 1.409 20 0 BDADLO CC1(C)C[C@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802235410 586297237 /nfs/dbraw/zinc/29/72/37/586297237.db2.gz MHPFACQXVVQLAC-UWVGGRQHSA-N 1 2 229.295 1.620 20 0 BDADLO CC1(C)C[C@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802235410 586297238 /nfs/dbraw/zinc/29/72/38/586297238.db2.gz MHPFACQXVVQLAC-UWVGGRQHSA-N 1 2 229.295 1.620 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cscn1 ZINC000802237996 586297781 /nfs/dbraw/zinc/29/77/81/586297781.db2.gz LBASDQAIXAXNGZ-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cscn1 ZINC000802237996 586297783 /nfs/dbraw/zinc/29/77/83/586297783.db2.gz LBASDQAIXAXNGZ-QMMMGPOBSA-N 1 2 244.291 1.344 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802236537 586298296 /nfs/dbraw/zinc/29/82/96/586298296.db2.gz LYMDJAHQOYOILJ-AEJSXWLSSA-N 1 2 215.268 1.229 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802236537 586298299 /nfs/dbraw/zinc/29/82/99/586298299.db2.gz LYMDJAHQOYOILJ-AEJSXWLSSA-N 1 2 215.268 1.229 20 0 BDADLO CSC[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239965 586298492 /nfs/dbraw/zinc/29/84/92/586298492.db2.gz SPYVMLKSRICHLA-UWVGGRQHSA-N 1 2 249.351 1.573 20 0 BDADLO CSC[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239965 586298495 /nfs/dbraw/zinc/29/84/95/586298495.db2.gz SPYVMLKSRICHLA-UWVGGRQHSA-N 1 2 249.351 1.573 20 0 BDADLO C[C@@]1(C(=O)O[C@H]2CC[N@H+](CCF)C2)CCOC1 ZINC000802238659 586298971 /nfs/dbraw/zinc/29/89/71/586298971.db2.gz JRUZPDAVZIBNEU-CMPLNLGQSA-N 1 2 245.294 1.000 20 0 BDADLO C[C@@]1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC000802238659 586298974 /nfs/dbraw/zinc/29/89/74/586298974.db2.gz JRUZPDAVZIBNEU-CMPLNLGQSA-N 1 2 245.294 1.000 20 0 BDADLO C[C@H]1CN(C[N@@H+]2CCOC(C)(C)C2)C(=O)[C@H]1C ZINC000839964693 586304501 /nfs/dbraw/zinc/30/45/01/586304501.db2.gz RFVSFLCKVPTJMP-QWRGUYRKSA-N 1 2 240.347 1.169 20 0 BDADLO C[C@H]1CN(C[N@H+]2CCOC(C)(C)C2)C(=O)[C@H]1C ZINC000839964693 586304504 /nfs/dbraw/zinc/30/45/04/586304504.db2.gz RFVSFLCKVPTJMP-QWRGUYRKSA-N 1 2 240.347 1.169 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802652296 586307604 /nfs/dbraw/zinc/30/76/04/586307604.db2.gz CLQHAAQCQJFWNX-JTQLQIEISA-N 1 2 230.258 1.491 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802652296 586307606 /nfs/dbraw/zinc/30/76/06/586307606.db2.gz CLQHAAQCQJFWNX-JTQLQIEISA-N 1 2 230.258 1.491 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000802660337 586308973 /nfs/dbraw/zinc/30/89/73/586308973.db2.gz IUKNMRGPDRCBPX-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000802660337 586308975 /nfs/dbraw/zinc/30/89/75/586308975.db2.gz IUKNMRGPDRCBPX-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO Cc1c[nH]cc1C(=O)OCCCc1[nH+]ccn1C ZINC000802787045 586314337 /nfs/dbraw/zinc/31/43/37/586314337.db2.gz ZMPLXKIIVWILOU-UHFFFAOYSA-N 1 2 247.298 1.846 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)Cc1ccco1 ZINC000802785924 586314465 /nfs/dbraw/zinc/31/44/65/586314465.db2.gz KUDCPRAVZQZAPR-UHFFFAOYSA-N 1 2 248.282 1.732 20 0 BDADLO CC(C)[C@H](F)C(=O)OCCCc1[nH+]ccn1C ZINC000802790196 586315206 /nfs/dbraw/zinc/31/52/06/586315206.db2.gz WYXHAKIKXAANNH-NSHDSACASA-N 1 2 242.294 1.890 20 0 BDADLO CC(C)[C@H](C(=O)OCC(=O)C1(C)CC1)[NH+](C)C ZINC000803497036 586362109 /nfs/dbraw/zinc/36/21/09/586362109.db2.gz KJIGUDGWEFBKBV-LLVKDONJSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@H]1OCC[N@H+](CN2CCC(C)(C)C2=O)[C@@H]1C ZINC000840030573 586385319 /nfs/dbraw/zinc/38/53/19/586385319.db2.gz YLXAJQYQSVZBKL-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1OCC[N@@H+](CN2CCC(C)(C)C2=O)[C@@H]1C ZINC000840030573 586385322 /nfs/dbraw/zinc/38/53/22/586385322.db2.gz YLXAJQYQSVZBKL-GHMZBOCLSA-N 1 2 240.347 1.312 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]2C[C@H]21 ZINC000804296379 586388450 /nfs/dbraw/zinc/38/84/50/586388450.db2.gz VTXGKTDYLRSMNV-WDEREUQCSA-N 1 2 219.288 1.284 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](CO)C1CC1 ZINC000806535873 586414153 /nfs/dbraw/zinc/41/41/53/586414153.db2.gz ZRIBGSWMSZTFLC-NSHDSACASA-N 1 2 249.314 1.591 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cn1c2ccccc2oc1=O ZINC000840082562 586422615 /nfs/dbraw/zinc/42/26/15/586422615.db2.gz GNUDCHFXVYQRQU-JTQLQIEISA-N 1 2 248.282 1.273 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cn1c2ccccc2oc1=O ZINC000840082562 586422618 /nfs/dbraw/zinc/42/26/18/586422618.db2.gz GNUDCHFXVYQRQU-JTQLQIEISA-N 1 2 248.282 1.273 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H]2COC)C1 ZINC000840084384 586424505 /nfs/dbraw/zinc/42/45/05/586424505.db2.gz RUXRLJMXGRRDMJ-NWDGAFQWSA-N 1 2 240.347 1.313 20 0 BDADLO CCC[C@H]1CC(=O)N(C[N@H+]2CC[C@@H]2COC)C1 ZINC000840084384 586424507 /nfs/dbraw/zinc/42/45/07/586424507.db2.gz RUXRLJMXGRRDMJ-NWDGAFQWSA-N 1 2 240.347 1.313 20 0 BDADLO CC1(C)C(=O)N(C[N@H+]2CC[C@@H](F)C2)[C@@H]1C1CC1 ZINC000840102625 586446645 /nfs/dbraw/zinc/44/66/45/586446645.db2.gz XWUZORCTFZHJOP-GHMZBOCLSA-N 1 2 240.322 1.635 20 0 BDADLO CC1(C)CC(=O)N(C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000840102485 586446608 /nfs/dbraw/zinc/44/66/08/586446608.db2.gz JCMUULSDCMPGGF-SECBINFHSA-N 1 2 214.284 1.246 20 0 BDADLO CC1(C)CC(=O)N(C[N@H+]2CC[C@@H](F)C2)C1 ZINC000840102485 586446609 /nfs/dbraw/zinc/44/66/09/586446609.db2.gz JCMUULSDCMPGGF-SECBINFHSA-N 1 2 214.284 1.246 20 0 BDADLO CC1(C)C(=O)N(C[N@@H+]2CC[C@@H](F)C2)[C@@H]1C1CC1 ZINC000840102625 586446643 /nfs/dbraw/zinc/44/66/43/586446643.db2.gz XWUZORCTFZHJOP-GHMZBOCLSA-N 1 2 240.322 1.635 20 0 BDADLO F[C@@H]1CC[N@H+](Cn2nccc2-c2cccnc2)C1 ZINC000840103241 586447068 /nfs/dbraw/zinc/44/70/68/586447068.db2.gz LNMOGRUTRQURNA-GFCCVEGCSA-N 1 2 246.289 1.946 20 0 BDADLO F[C@@H]1CC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000840103241 586447070 /nfs/dbraw/zinc/44/70/70/586447070.db2.gz LNMOGRUTRQURNA-GFCCVEGCSA-N 1 2 246.289 1.946 20 0 BDADLO COCCOCC[N@H+](C)Cn1cc(Cl)cn1 ZINC000808237420 586468307 /nfs/dbraw/zinc/46/83/07/586468307.db2.gz PMGYDZSFSLADAE-UHFFFAOYSA-N 1 2 247.726 1.089 20 0 BDADLO COCCOCC[N@@H+](C)Cn1cc(Cl)cn1 ZINC000808237420 586468309 /nfs/dbraw/zinc/46/83/09/586468309.db2.gz PMGYDZSFSLADAE-UHFFFAOYSA-N 1 2 247.726 1.089 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCCOC1CCC1 ZINC000808264080 586468587 /nfs/dbraw/zinc/46/85/87/586468587.db2.gz OIBRJIQOSDIGTA-UHFFFAOYSA-N 1 2 244.335 1.869 20 0 BDADLO COC[C@@H](C)n1ccc(NCc2cn(C)c[nH+]2)n1 ZINC000808406915 586471676 /nfs/dbraw/zinc/47/16/76/586471676.db2.gz NPWNBPUBGFZPBM-SNVBAGLBSA-N 1 2 249.318 1.436 20 0 BDADLO COC(=O)CCC[N@@H+]1Cc2ccncc2C1 ZINC000809565664 586507068 /nfs/dbraw/zinc/50/70/68/586507068.db2.gz NTAACWSTUGSWCL-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO COC(=O)CCC[N@H+]1Cc2ccncc2C1 ZINC000809565664 586507069 /nfs/dbraw/zinc/50/70/69/586507069.db2.gz NTAACWSTUGSWCL-UHFFFAOYSA-N 1 2 220.272 1.350 20 0 BDADLO C[C@H]1CN(C(=O)c2ocnc2C2CC2)CC[N@@H+]1C ZINC000809694336 586513213 /nfs/dbraw/zinc/51/32/13/586513213.db2.gz LIKUHEPWQJXKML-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1CN(C(=O)c2ocnc2C2CC2)CC[N@H+]1C ZINC000809694336 586513216 /nfs/dbraw/zinc/51/32/16/586513216.db2.gz LIKUHEPWQJXKML-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO CC(C)OC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809944742 586525287 /nfs/dbraw/zinc/52/52/87/586525287.db2.gz SYSFUEZJXMRUED-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1ncc(C[NH2+][C@@H](c2cccnc2)C2CC2)n1 ZINC000809974984 586527925 /nfs/dbraw/zinc/52/79/25/586527925.db2.gz RJDVIPUAKUGXQL-CYBMUJFWSA-N 1 2 243.314 1.451 20 0 BDADLO Cn1ncc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000810000610 586530499 /nfs/dbraw/zinc/53/04/99/586530499.db2.gz XIXMCBZSJKRUAY-UHFFFAOYSA-N 1 2 216.235 1.046 20 0 BDADLO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810188758 586536689 /nfs/dbraw/zinc/53/66/89/586536689.db2.gz UOAGCALYLQGSDD-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810188758 586536690 /nfs/dbraw/zinc/53/66/90/586536690.db2.gz UOAGCALYLQGSDD-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@@H+]1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188758 586536691 /nfs/dbraw/zinc/53/66/91/586536691.db2.gz UOAGCALYLQGSDD-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO C[N@H+]1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810188758 586536692 /nfs/dbraw/zinc/53/66/92/586536692.db2.gz UOAGCALYLQGSDD-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO CCc1c(C(=O)OCCn2cc[nH+]c2)ccn1C ZINC000810719189 586545410 /nfs/dbraw/zinc/54/54/10/586545410.db2.gz BHOTVTFGWOVJOV-UHFFFAOYSA-N 1 2 247.298 1.641 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCC2 ZINC000810754533 586546136 /nfs/dbraw/zinc/54/61/36/586546136.db2.gz HCBLXYKONKJKLJ-JTQLQIEISA-N 1 2 219.288 1.227 20 0 BDADLO CCC(=O)OCC1CC[NH+](CC(F)F)CC1 ZINC000810963378 586551774 /nfs/dbraw/zinc/55/17/74/586551774.db2.gz FJHOCAJOWGDGON-UHFFFAOYSA-N 1 2 235.274 1.917 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1(CCF)CC1 ZINC000811340572 586558725 /nfs/dbraw/zinc/55/87/25/586558725.db2.gz ZWRXSQHAFZKAPU-UHFFFAOYSA-N 1 2 240.278 1.956 20 0 BDADLO OC1(c2ccccc2)C[NH+](Cc2cn[nH]c2)C1 ZINC000811509736 586560406 /nfs/dbraw/zinc/56/04/06/586560406.db2.gz BUHSUEHRPVNSEU-UHFFFAOYSA-N 1 2 229.283 1.113 20 0 BDADLO CC[N@H+](C[C@H](C)OC)Cn1ccsc1=O ZINC000812303015 586572782 /nfs/dbraw/zinc/57/27/82/586572782.db2.gz JOAUIZGSLZCXGY-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO CC[N@@H+](C[C@H](C)OC)Cn1ccsc1=O ZINC000812303015 586572783 /nfs/dbraw/zinc/57/27/83/586572783.db2.gz JOAUIZGSLZCXGY-VIFPVBQESA-N 1 2 230.333 1.224 20 0 BDADLO O=C(NOC1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000812792255 586585509 /nfs/dbraw/zinc/58/55/09/586585509.db2.gz QVGLIFKUZCPNLN-SECBINFHSA-N 1 2 235.287 1.046 20 0 BDADLO O=C(NOC1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000812792256 586585614 /nfs/dbraw/zinc/58/56/14/586585614.db2.gz QVGLIFKUZCPNLN-VIFPVBQESA-N 1 2 235.287 1.046 20 0 BDADLO C[N@H+](C[C@H]1CCC=CO1)[C@@H]1CC(C)(C)OC1=O ZINC000814179585 586616057 /nfs/dbraw/zinc/61/60/57/586616057.db2.gz VLLYFRGALPYYNT-GHMZBOCLSA-N 1 2 239.315 1.705 20 0 BDADLO C[N@@H+](C[C@H]1CCC=CO1)[C@@H]1CC(C)(C)OC1=O ZINC000814179585 586616058 /nfs/dbraw/zinc/61/60/58/586616058.db2.gz VLLYFRGALPYYNT-GHMZBOCLSA-N 1 2 239.315 1.705 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H](F)C(C)C ZINC000814328092 586621449 /nfs/dbraw/zinc/62/14/49/586621449.db2.gz WYMHETQNIIXKPP-NSHDSACASA-N 1 2 240.278 1.701 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnn(C)n2)CCCO1 ZINC000815313441 586678898 /nfs/dbraw/zinc/67/88/98/586678898.db2.gz HELOKCGLHXQHIV-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnn(C)n2)CCCO1 ZINC000815313441 586678899 /nfs/dbraw/zinc/67/88/99/586678899.db2.gz HELOKCGLHXQHIV-LBPRGKRZSA-N 1 2 238.335 1.062 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ncoc1C1CC1 ZINC000815323459 586679321 /nfs/dbraw/zinc/67/93/21/586679321.db2.gz FLGHSJUTZLJZGK-UHFFFAOYSA-N 1 2 247.254 1.606 20 0 BDADLO Nc1cc(COC(=O)c2cc(F)c[nH]2)cc[nH+]1 ZINC000815393369 586682636 /nfs/dbraw/zinc/68/26/36/586682636.db2.gz UXUQGXJUBDJOQV-UHFFFAOYSA-N 1 2 235.218 1.488 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@H](O)C2)c1Cl ZINC000816481434 586735563 /nfs/dbraw/zinc/73/55/63/586735563.db2.gz WHAWGQNRXUCVDN-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@H](O)C2)c1Cl ZINC000816481434 586735562 /nfs/dbraw/zinc/73/55/62/586735562.db2.gz WHAWGQNRXUCVDN-VIFPVBQESA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000816615083 586744455 /nfs/dbraw/zinc/74/44/55/586744455.db2.gz MNVNVCCMWKRIQX-NSHDSACASA-N 1 2 220.320 1.436 20 0 BDADLO Cn1ncc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000816615083 586744457 /nfs/dbraw/zinc/74/44/57/586744457.db2.gz MNVNVCCMWKRIQX-NSHDSACASA-N 1 2 220.320 1.436 20 0 BDADLO Cc1ncoc1CNC(=O)CCCn1cc[nH+]c1 ZINC000816707773 586759421 /nfs/dbraw/zinc/75/94/21/586759421.db2.gz BDUIRKRWEWICQL-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO Cc1cccnc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816822018 586766097 /nfs/dbraw/zinc/76/60/97/586766097.db2.gz VRMACWKQQQOXCS-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO C[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816815318 586766528 /nfs/dbraw/zinc/76/65/28/586766528.db2.gz RWDRKWSTDLMKFJ-VHSXEESVSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](CCc1ccco1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816821568 586766546 /nfs/dbraw/zinc/76/65/46/586766546.db2.gz FPPFKYKBVMVHOP-SNVBAGLBSA-N 1 2 247.298 1.683 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCc1ccccc1F ZINC000816821756 586766558 /nfs/dbraw/zinc/76/65/58/586766558.db2.gz LGORBCLCVRTUGY-UHFFFAOYSA-N 1 2 247.273 1.450 20 0 BDADLO Cc1csc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000816834140 586766840 /nfs/dbraw/zinc/76/68/40/586766840.db2.gz HXSZPFXDSSGYPS-UHFFFAOYSA-N 1 2 222.273 1.356 20 0 BDADLO CONC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000816846343 586768098 /nfs/dbraw/zinc/76/80/98/586768098.db2.gz XRPPCCPLUAUZBZ-CYBMUJFWSA-N 1 2 248.326 1.544 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC1CCCC1 ZINC000816860287 586768938 /nfs/dbraw/zinc/76/89/38/586768938.db2.gz FSQLTZVPPOIEJP-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO C[C@@H]1SCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000816928999 586772217 /nfs/dbraw/zinc/77/22/17/586772217.db2.gz YNXMXDLEUVNGNL-IUCAKERBSA-N 1 2 239.344 1.305 20 0 BDADLO CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000816971335 586774838 /nfs/dbraw/zinc/77/48/38/586774838.db2.gz AJRCARUERAJASX-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1Cc2ccccc2C1 ZINC000816971060 586775748 /nfs/dbraw/zinc/77/57/48/586775748.db2.gz SBDYEAROOWYIFN-UHFFFAOYSA-N 1 2 241.294 1.236 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C[C@H](C)OC ZINC000817086616 586781340 /nfs/dbraw/zinc/78/13/40/586781340.db2.gz HNHYXXIJXJFYSN-VIFPVBQESA-N 1 2 238.287 1.131 20 0 BDADLO Nc1cc(COC(=O)[C@H]2CC23CC3)cc[nH+]1 ZINC000817233827 586788771 /nfs/dbraw/zinc/78/87/71/586788771.db2.gz XJFIILLOHJBFAA-SECBINFHSA-N 1 2 218.256 1.507 20 0 BDADLO COC(=O)[C@@H](F)CNc1cc[nH+]c(C(C)C)n1 ZINC000840339397 586798144 /nfs/dbraw/zinc/79/81/44/586798144.db2.gz FNZDBXPAUJJONV-QMMMGPOBSA-N 1 2 241.266 1.523 20 0 BDADLO O=C(NOCCC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000817379238 586799696 /nfs/dbraw/zinc/79/96/96/586799696.db2.gz KBIQXOLOYACAIJ-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NOCCC1CC1 ZINC000817442003 586805093 /nfs/dbraw/zinc/80/50/93/586805093.db2.gz TVWOFFCRTFKDMC-UHFFFAOYSA-N 1 2 223.276 1.190 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)n1 ZINC000818230233 586880567 /nfs/dbraw/zinc/88/05/67/586880567.db2.gz ONSMZFOYLKVLEM-OLZOCXBDSA-N 1 2 246.289 1.542 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccnn2C)n1 ZINC000818345065 586887658 /nfs/dbraw/zinc/88/76/58/586887658.db2.gz IXCDFNVJXWTNBH-SNVBAGLBSA-N 1 2 248.334 1.191 20 0 BDADLO C[N@H+](CC(=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000818402466 586890682 /nfs/dbraw/zinc/89/06/82/586890682.db2.gz NOZUUPKLYVNFII-UHFFFAOYSA-N 1 2 249.314 1.067 20 0 BDADLO C[N@@H+](CC(=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000818402466 586890685 /nfs/dbraw/zinc/89/06/85/586890685.db2.gz NOZUUPKLYVNFII-UHFFFAOYSA-N 1 2 249.314 1.067 20 0 BDADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)C1CC1 ZINC000859961809 589073745 /nfs/dbraw/zinc/07/37/45/589073745.db2.gz UZHCYSLPHREFNP-SNVBAGLBSA-N 1 2 243.347 1.467 20 0 BDADLO O=S(=O)(CCNc1cccc[nH+]1)C1CC1 ZINC000840372940 586929488 /nfs/dbraw/zinc/92/94/88/586929488.db2.gz GHXDMRGKYPWXLR-UHFFFAOYSA-N 1 2 226.301 1.071 20 0 BDADLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccns1 ZINC000860057262 589077837 /nfs/dbraw/zinc/07/78/37/589077837.db2.gz OLJRYZBROKFGPJ-SSDOTTSWSA-N 1 2 235.316 1.366 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)/C=C/[C@H]1CCCO1 ZINC000819555314 586976601 /nfs/dbraw/zinc/97/66/01/586976601.db2.gz AXEFGBYUEHUJOR-MVIFTORASA-N 1 2 249.314 1.254 20 0 BDADLO C[C@@H]1C[NH+]=C(NC(=O)C[C@@H]2C=CCC2)S1 ZINC000819766669 586991450 /nfs/dbraw/zinc/99/14/50/586991450.db2.gz HSWVQLGMGGLLAR-RKDXNWHRSA-N 1 2 224.329 1.950 20 0 BDADLO CS[C@@H](C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775500 586992749 /nfs/dbraw/zinc/99/27/49/586992749.db2.gz CVRJLXVGRPRLLO-NKWVEPMBSA-N 1 2 232.374 1.736 20 0 BDADLO COCCC[C@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819778141 586993080 /nfs/dbraw/zinc/99/30/80/586993080.db2.gz YCXQGTSHQWIRAC-IUCAKERBSA-N 1 2 244.360 1.657 20 0 BDADLO O=C(C=Cc1ccco1)N1CCc2[nH]c[nH+]c2C1 ZINC000819972243 587008997 /nfs/dbraw/zinc/00/89/97/587008997.db2.gz AYGQUSLWAFSLJK-ONEGZZNKSA-N 1 2 243.266 1.601 20 0 BDADLO O=C(C=Cc1ccco1)N1CCc2[nH+]c[nH]c2C1 ZINC000819972243 587009000 /nfs/dbraw/zinc/00/90/00/587009000.db2.gz AYGQUSLWAFSLJK-ONEGZZNKSA-N 1 2 243.266 1.601 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000820077531 587018750 /nfs/dbraw/zinc/01/87/50/587018750.db2.gz CPBSLPSBOBAVPV-BBBLOLIVSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000820077531 587018754 /nfs/dbraw/zinc/01/87/54/587018754.db2.gz CPBSLPSBOBAVPV-BBBLOLIVSA-N 1 2 226.320 1.064 20 0 BDADLO C[C@H](CC(=O)OCc1c[nH+]cn1C)n1cccn1 ZINC000820161896 587030384 /nfs/dbraw/zinc/03/03/84/587030384.db2.gz JXQUTNVOWBNVNO-SNVBAGLBSA-N 1 2 248.286 1.311 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000820238489 587037467 /nfs/dbraw/zinc/03/74/67/587037467.db2.gz QMPGVAVSQPILTL-MNOVXSKESA-N 1 2 228.336 1.171 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000820238489 587037468 /nfs/dbraw/zinc/03/74/68/587037468.db2.gz QMPGVAVSQPILTL-MNOVXSKESA-N 1 2 228.336 1.171 20 0 BDADLO CC(C)c1nc(N[C@@H]2COC(=O)C2)cc[nH+]1 ZINC000820581584 587056403 /nfs/dbraw/zinc/05/64/03/587056403.db2.gz XHJXZPIDLOUBKF-QMMMGPOBSA-N 1 2 221.260 1.327 20 0 BDADLO C[C@H](NCc1cc[nH]n1)c1cn2c([nH+]1)CCCC2 ZINC000820810144 587073923 /nfs/dbraw/zinc/07/39/23/587073923.db2.gz PYHZPFCPYQTJGH-JTQLQIEISA-N 1 2 245.330 1.793 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cc(C)no2)on1 ZINC000820810224 587074319 /nfs/dbraw/zinc/07/43/19/587074319.db2.gz RRLKOWAFEDTYKK-MRVPVSSYSA-N 1 2 237.259 1.830 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000820948050 587084074 /nfs/dbraw/zinc/08/40/74/587084074.db2.gz NMMXIWFQNBJSLN-MXWKQRLJSA-N 1 2 249.314 1.259 20 0 BDADLO C[C@@H]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000821295882 587105349 /nfs/dbraw/zinc/10/53/49/587105349.db2.gz ZMMWKMHOUJYALC-GHMZBOCLSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1cccc(O)c1F ZINC000821395431 587116620 /nfs/dbraw/zinc/11/66/20/587116620.db2.gz VPMBQVASQQWDCB-UHFFFAOYSA-N 1 2 238.262 1.566 20 0 BDADLO O=C([O-])CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000821524223 587125023 /nfs/dbraw/zinc/12/50/23/587125023.db2.gz SQIVJFLHFCZICW-JTQLQIEISA-N 1 2 237.303 1.454 20 0 BDADLO O=C([O-])CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000821524223 587125024 /nfs/dbraw/zinc/12/50/24/587125024.db2.gz SQIVJFLHFCZICW-JTQLQIEISA-N 1 2 237.303 1.454 20 0 BDADLO O=C([O-])CCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000821521476 587125279 /nfs/dbraw/zinc/12/52/79/587125279.db2.gz GHRJWQISUUTMOL-UHFFFAOYSA-N 1 2 247.298 1.679 20 0 BDADLO CC(C)[C@]1(C)C[C@@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822436998 587167877 /nfs/dbraw/zinc/16/78/77/587167877.db2.gz SXAGHNDUOVOERK-HPQNNBMJSA-N 1 2 247.342 1.984 20 0 BDADLO C[C@H]1[C@@H](C)N(C(=O)/C=C/c2cn(C)c[nH+]2)C[C@H]1C ZINC000822944112 587194993 /nfs/dbraw/zinc/19/49/93/587194993.db2.gz OQOWTYQBEKKRKA-HATMAXAFSA-N 1 2 247.342 1.936 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ocnc2C)[nH+]1 ZINC000823082020 587201495 /nfs/dbraw/zinc/20/14/95/587201495.db2.gz ZAFFQMUWSQPMIR-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000823113446 587204002 /nfs/dbraw/zinc/20/40/02/587204002.db2.gz YEVNHYOCWYSLBB-UCQJPZFISA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C\C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000823113446 587204004 /nfs/dbraw/zinc/20/40/04/587204004.db2.gz YEVNHYOCWYSLBB-UCQJPZFISA-N 1 2 240.347 1.180 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823379365 587219083 /nfs/dbraw/zinc/21/90/83/587219083.db2.gz CDKFVBIWHSUSBF-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823379365 587219084 /nfs/dbraw/zinc/21/90/84/587219084.db2.gz CDKFVBIWHSUSBF-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823590077 587232210 /nfs/dbraw/zinc/23/22/10/587232210.db2.gz UAZYTVOZEUQWJS-QMMMGPOBSA-N 1 2 207.277 1.115 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000823643922 587233704 /nfs/dbraw/zinc/23/37/04/587233704.db2.gz MFXFFVBUHMZACE-NWDGAFQWSA-N 1 2 241.294 1.625 20 0 BDADLO O=C(N[C@@H]1CC12CC2)N[C@H]1CCn2cc[nH+]c21 ZINC000823656017 587234653 /nfs/dbraw/zinc/23/46/53/587234653.db2.gz WRLLTAICLRHNIB-DTWKUNHWSA-N 1 2 232.287 1.180 20 0 BDADLO C[C@@H](NC(=O)N(C)CCF)c1[nH+]ccn1C ZINC000823793848 587240558 /nfs/dbraw/zinc/24/05/58/587240558.db2.gz UJGIGFANQBVZLQ-MRVPVSSYSA-N 1 2 228.271 1.092 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)ncc2F)CC[C@H]1O ZINC000824214563 587260870 /nfs/dbraw/zinc/26/08/70/587260870.db2.gz FSYPJGAKNYWBFA-GZMMTYOYSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)ncc2F)CC[C@H]1O ZINC000824214563 587260872 /nfs/dbraw/zinc/26/08/72/587260872.db2.gz FSYPJGAKNYWBFA-GZMMTYOYSA-N 1 2 242.269 1.563 20 0 BDADLO CCn1nc(C)c(C[N@H+](CC)C[C@@H](C)OC)n1 ZINC000824422990 587269545 /nfs/dbraw/zinc/26/95/45/587269545.db2.gz ISWDUMUAIQIJNF-SNVBAGLBSA-N 1 2 240.351 1.463 20 0 BDADLO CCn1nc(C)c(C[N@@H+](CC)C[C@@H](C)OC)n1 ZINC000824422990 587269546 /nfs/dbraw/zinc/26/95/46/587269546.db2.gz ISWDUMUAIQIJNF-SNVBAGLBSA-N 1 2 240.351 1.463 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824437972 587270475 /nfs/dbraw/zinc/27/04/75/587270475.db2.gz GFSGIKDVWBVGAL-IVZWLZJFSA-N 1 2 217.272 1.348 20 0 BDADLO O=C(N[C@H]1C=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824437972 587270476 /nfs/dbraw/zinc/27/04/76/587270476.db2.gz GFSGIKDVWBVGAL-IVZWLZJFSA-N 1 2 217.272 1.348 20 0 BDADLO CCN(CCC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000824863941 587290923 /nfs/dbraw/zinc/29/09/23/587290923.db2.gz XWYBGPHNFVRLJM-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO CC(C)C[C@H](C(=O)Nn1cccn1)n1cc[nH+]c1 ZINC000824903597 587292463 /nfs/dbraw/zinc/29/24/63/587292463.db2.gz BBYOTKIMTDYQTC-LLVKDONJSA-N 1 2 247.302 1.437 20 0 BDADLO CCC[C@@H](CC)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000824981950 587296751 /nfs/dbraw/zinc/29/67/51/587296751.db2.gz GJUIMAFYIFCJTE-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](CC)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000824981950 587296752 /nfs/dbraw/zinc/29/67/52/587296752.db2.gz GJUIMAFYIFCJTE-NEPJUHHUSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@@H](C)N(C)c1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000825068735 587302533 /nfs/dbraw/zinc/30/25/33/587302533.db2.gz WBSQAUDJBSQZPG-SECBINFHSA-N 1 2 246.318 1.805 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000825117666 587305628 /nfs/dbraw/zinc/30/56/28/587305628.db2.gz JJPFJLNZQZKLEX-QWRGUYRKSA-N 1 2 227.304 1.609 20 0 BDADLO CO[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000825146367 587307080 /nfs/dbraw/zinc/30/70/80/587307080.db2.gz OERGOZFTVMHIDU-MRVPVSSYSA-N 1 2 233.271 1.328 20 0 BDADLO CC[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000825258496 587312001 /nfs/dbraw/zinc/31/20/01/587312001.db2.gz WPGMJDPPIWCEOU-SECBINFHSA-N 1 2 233.271 1.064 20 0 BDADLO CC[C@H](NC(=O)/C=C/c1cn(C)c[nH+]1)C1CC1 ZINC000825375734 587317572 /nfs/dbraw/zinc/31/75/72/587317572.db2.gz IZDWULXHARFLNA-SYTKJHMZSA-N 1 2 233.315 1.738 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@]12C[C@H]1CCC2 ZINC000825512339 587322624 /nfs/dbraw/zinc/32/26/24/587322624.db2.gz BSCLVVINKCOJME-GIPNMCIBSA-N 1 2 231.299 1.634 20 0 BDADLO C/C(=C\C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)[O-] ZINC000825736176 587334730 /nfs/dbraw/zinc/33/47/30/587334730.db2.gz VXVVWHMOWDSOFK-WTDSWWLTSA-N 1 2 249.314 1.620 20 0 BDADLO CCONC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000825903394 587344858 /nfs/dbraw/zinc/34/48/58/587344858.db2.gz GFXYIXQQKVNBQQ-UHFFFAOYSA-N 1 2 234.259 1.716 20 0 BDADLO Cc1cc[nH+]c(NCC2(C)CC2)c1-c1nn[nH]n1 ZINC000826313683 587351937 /nfs/dbraw/zinc/35/19/37/587351937.db2.gz PTIMYAFMTHBZFA-UHFFFAOYSA-N 1 2 244.302 1.782 20 0 BDADLO Cc1cc[nH+]c(N2CC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826309756 587352293 /nfs/dbraw/zinc/35/22/93/587352293.db2.gz ARGGILBLVVRMQP-QMMMGPOBSA-N 1 2 244.302 1.416 20 0 BDADLO Cc1cc[nH+]c(NC2CC=CC2)c1-c1nn[nH]n1 ZINC000826312489 587352468 /nfs/dbraw/zinc/35/24/68/587352468.db2.gz FWEBLLCDZXLEJJ-UHFFFAOYSA-N 1 2 242.286 1.701 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)O ZINC000826704865 587359521 /nfs/dbraw/zinc/35/95/21/587359521.db2.gz YMBJKMIWELHIRO-GFCCVEGCSA-N 1 2 248.326 1.060 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)O ZINC000826704865 587359522 /nfs/dbraw/zinc/35/95/22/587359522.db2.gz YMBJKMIWELHIRO-GFCCVEGCSA-N 1 2 248.326 1.060 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000867042595 587360405 /nfs/dbraw/zinc/36/04/05/587360405.db2.gz LYKWKQHQBQARDV-UTINFBMNSA-N 1 2 232.283 1.440 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000827252661 587374293 /nfs/dbraw/zinc/37/42/93/587374293.db2.gz QXYNKSMERRPQDM-ANCZFUFASA-N 1 2 249.314 1.117 20 0 BDADLO CC[C@@](C)(O)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000827559476 587387911 /nfs/dbraw/zinc/38/79/11/587387911.db2.gz JSBNNTUOFODZHP-CYBMUJFWSA-N 1 2 249.314 1.310 20 0 BDADLO C[C@H]1CCCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000827793392 587402785 /nfs/dbraw/zinc/40/27/85/587402785.db2.gz OKJFHCOAIZDXDW-JTQLQIEISA-N 1 2 221.304 1.743 20 0 BDADLO C[N@H+](Cc1coc(C2CC2)n1)C1(CO)CC1 ZINC000827903821 587408175 /nfs/dbraw/zinc/40/81/75/587408175.db2.gz QCTHBOJUBBQHIV-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO C[N@@H+](Cc1coc(C2CC2)n1)C1(CO)CC1 ZINC000827903821 587408177 /nfs/dbraw/zinc/40/81/77/587408177.db2.gz QCTHBOJUBBQHIV-UHFFFAOYSA-N 1 2 222.288 1.509 20 0 BDADLO COc1nc(C)cc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000828357280 587438194 /nfs/dbraw/zinc/43/81/94/587438194.db2.gz CMOKGBKMNZXBAQ-VIFPVBQESA-N 1 2 245.286 1.547 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000828491078 587445363 /nfs/dbraw/zinc/44/53/63/587445363.db2.gz UAAMZFFPOCUJGE-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO CC1(C(N)=O)C[NH+](C/C(Cl)=C/Cl)C1 ZINC000829070362 587481860 /nfs/dbraw/zinc/48/18/60/587481860.db2.gz RGVVODQSHZDCDF-KXFIGUGUSA-N 1 2 223.103 1.113 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829432813 587497088 /nfs/dbraw/zinc/49/70/88/587497088.db2.gz NFPZPWDYCJIKHF-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCC[C@H]2CCCO2)c1 ZINC000829657726 587508063 /nfs/dbraw/zinc/50/80/63/587508063.db2.gz KHKNOTBXGSCRGX-ZYOFXKKJSA-N 1 2 249.314 1.119 20 0 BDADLO CN(CCCF)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829792211 587516980 /nfs/dbraw/zinc/51/69/80/587516980.db2.gz SZWSNOBUJVACDP-PLNGDYQASA-N 1 2 225.267 1.251 20 0 BDADLO C[C@H](N(C)C(=O)Cc1[nH]cc[nH+]1)C1(C)CC1 ZINC000829835832 587521777 /nfs/dbraw/zinc/52/17/77/587521777.db2.gz JIHLHCNZABSUDR-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000830028522 587532711 /nfs/dbraw/zinc/53/27/11/587532711.db2.gz NKLJGMVJVRNIGH-WPRPVWTQSA-N 1 2 208.309 1.447 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000830028522 587532713 /nfs/dbraw/zinc/53/27/13/587532713.db2.gz NKLJGMVJVRNIGH-WPRPVWTQSA-N 1 2 208.309 1.447 20 0 BDADLO CC[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830045196 587533816 /nfs/dbraw/zinc/53/38/16/587533816.db2.gz QNWAPHFQYYADNE-LBPRGKRZSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@@H]1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)CCO1 ZINC000830128834 587537634 /nfs/dbraw/zinc/53/76/34/587537634.db2.gz LIPQIIJJJJYKKX-PGLGOXFNSA-N 1 2 249.314 1.071 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000831255505 587594097 /nfs/dbraw/zinc/59/40/97/587594097.db2.gz OPTMVYQRCMZJRZ-GHMZBOCLSA-N 1 2 229.320 1.031 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000831255505 587594098 /nfs/dbraw/zinc/59/40/98/587594098.db2.gz OPTMVYQRCMZJRZ-GHMZBOCLSA-N 1 2 229.320 1.031 20 0 BDADLO CO[C@@H]1C[C@@H]([NH2+]CC(=O)OCC(C)C)C1(C)C ZINC000831337935 587599459 /nfs/dbraw/zinc/59/94/59/587599459.db2.gz CEFDITKPMHOWIK-GHMZBOCLSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2CC=CC2)c[nH+]1 ZINC000831445544 587607753 /nfs/dbraw/zinc/60/77/53/587607753.db2.gz BLXFFPJZKDYTNO-UHFFFAOYSA-N 1 2 219.288 1.804 20 0 BDADLO Cc1cnc(CNC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC000831542821 587617579 /nfs/dbraw/zinc/61/75/79/587617579.db2.gz URMFABVQPJRGJQ-UHFFFAOYSA-N 1 2 244.298 1.211 20 0 BDADLO C[C@@H]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000831956585 587638999 /nfs/dbraw/zinc/63/89/99/587638999.db2.gz IGHVLFRFXFXJAI-BXUZGUMPSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H](CC(F)(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832266301 587652735 /nfs/dbraw/zinc/65/27/35/587652735.db2.gz RHZKSZABBFBOBY-LURJTMIESA-N 1 2 235.209 1.409 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC(C)(C)CO2)c[nH+]1 ZINC000832818526 587692359 /nfs/dbraw/zinc/69/23/59/587692359.db2.gz WRSOYTTVEJFBEO-SECBINFHSA-N 1 2 237.303 1.263 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000833277425 587704083 /nfs/dbraw/zinc/70/40/83/587704083.db2.gz CHKFCTYFGGEJMP-OUAUKWLOSA-N 1 2 233.315 1.880 20 0 BDADLO Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000833286557 587704742 /nfs/dbraw/zinc/70/47/42/587704742.db2.gz YEWWBIJTAQKTFU-JTQLQIEISA-N 1 2 242.282 1.461 20 0 BDADLO CC[C@H](CO)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000833336775 587706690 /nfs/dbraw/zinc/70/66/90/587706690.db2.gz IHFBNTMNEGAVHB-SNVBAGLBSA-N 1 2 247.298 1.177 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC(=O)[O-])C1 ZINC000833761157 587730503 /nfs/dbraw/zinc/73/05/03/587730503.db2.gz YPDWUWWQSDYDHG-SNVBAGLBSA-N 1 2 237.303 1.074 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC000833761157 587730504 /nfs/dbraw/zinc/73/05/04/587730504.db2.gz YPDWUWWQSDYDHG-SNVBAGLBSA-N 1 2 237.303 1.074 20 0 BDADLO COC1C[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000834372987 587753363 /nfs/dbraw/zinc/75/33/63/587753363.db2.gz BTDOLGZVBOAKPG-GFCCVEGCSA-N 1 2 247.294 1.797 20 0 BDADLO CC(C)=CCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836421825 587832770 /nfs/dbraw/zinc/83/27/70/587832770.db2.gz ZSRTZXMGAOPHEV-SNVBAGLBSA-N 1 2 234.303 1.593 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836414692 587832824 /nfs/dbraw/zinc/83/28/24/587832824.db2.gz ADFBNIWMVMSLFE-GMTAPVOTSA-N 1 2 248.330 1.816 20 0 BDADLO C[C@@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836515814 587834544 /nfs/dbraw/zinc/83/45/44/587834544.db2.gz IYICTUVWONWWKH-MNOVXSKESA-N 1 2 248.330 1.912 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)[C@@H]1C ZINC000836515948 587834553 /nfs/dbraw/zinc/83/45/53/587834553.db2.gz GMYZQMPUMILUIW-MXWKQRLJSA-N 1 2 248.330 1.768 20 0 BDADLO C[C@H]1C[C@H](NC(=O)c2cnsn2)c2[nH+]ccn21 ZINC000836953911 587843394 /nfs/dbraw/zinc/84/33/94/587843394.db2.gz JEVINYYXZHVJKX-BQBZGAKWSA-N 1 2 249.299 1.170 20 0 BDADLO CC(C)[C@H](F)C(=O)NC1C[NH+](C(C)C)C1 ZINC000837546448 587881149 /nfs/dbraw/zinc/88/11/49/587881149.db2.gz SSDUANGLWBXZJG-JTQLQIEISA-N 1 2 216.300 1.189 20 0 BDADLO CC(C(=O)NCCc1cn(C)c[nH+]1)=C1CCCC1 ZINC000837715022 587892163 /nfs/dbraw/zinc/89/21/63/587892163.db2.gz APPVONGCBHNJNN-UHFFFAOYSA-N 1 2 247.342 1.969 20 0 BDADLO Cc1occc1C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000840942105 587931348 /nfs/dbraw/zinc/93/13/48/587931348.db2.gz SJFQUJURVULUNQ-MRVPVSSYSA-N 1 2 247.302 1.760 20 0 BDADLO CC1=CC[N@H+](CN2CC(F)(F)CC2=O)CC1 ZINC000841681406 587971677 /nfs/dbraw/zinc/97/16/77/587971677.db2.gz GJLKBLOVZSLUIY-UHFFFAOYSA-N 1 2 230.258 1.464 20 0 BDADLO CC1=CC[N@@H+](CN2CC(F)(F)CC2=O)CC1 ZINC000841681406 587971678 /nfs/dbraw/zinc/97/16/78/587971678.db2.gz GJLKBLOVZSLUIY-UHFFFAOYSA-N 1 2 230.258 1.464 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@@H](C(F)F)C1 ZINC000841884430 587980775 /nfs/dbraw/zinc/98/07/75/587980775.db2.gz LWPQCNORPYZEIH-SNVBAGLBSA-N 1 2 245.273 1.369 20 0 BDADLO CC[C@H](CO[NH+]=C(N)c1ccccc1)OC ZINC000842012954 587989115 /nfs/dbraw/zinc/98/91/15/587989115.db2.gz CXKHXPLFOYXCIT-LLVKDONJSA-N 1 2 222.288 1.958 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000842026752 587990672 /nfs/dbraw/zinc/99/06/72/587990672.db2.gz KIENZUMMTSEVPN-ZETCQYMHSA-N 1 2 244.241 1.582 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)c1cccc(F)c1 ZINC000842027105 587990846 /nfs/dbraw/zinc/99/08/46/587990846.db2.gz XNVFWFPWMYJAKQ-QMMMGPOBSA-N 1 2 226.251 1.443 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OC1CC(OC(C)(C)C)C1 ZINC000842035620 587991622 /nfs/dbraw/zinc/99/16/22/587991622.db2.gz CVQNODUQZMUBKL-XNWIYYODSA-N 1 2 244.335 1.866 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cnccc1C ZINC000842037266 587992218 /nfs/dbraw/zinc/99/22/18/587992218.db2.gz VJOIBILTSIGSAX-VIFPVBQESA-N 1 2 223.276 1.423 20 0 BDADLO Cc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000842047227 587992821 /nfs/dbraw/zinc/99/28/21/587992821.db2.gz MPBCRJYFKRGGOV-LLVKDONJSA-N 1 2 235.287 1.567 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@H](CC(C)C)OC ZINC000842164661 588005711 /nfs/dbraw/zinc/00/57/11/588005711.db2.gz YIVAYGFCLGBXAL-GHMZBOCLSA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCC[C@@H]1CCOC1 ZINC000842648314 588048755 /nfs/dbraw/zinc/04/87/55/588048755.db2.gz PZLMGSKCMDMLQF-LLVKDONJSA-N 1 2 244.335 1.727 20 0 BDADLO CCCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655682 588050160 /nfs/dbraw/zinc/05/01/60/588050160.db2.gz HJMQDVCZAUXQNO-JTQLQIEISA-N 1 2 230.308 1.481 20 0 BDADLO NC(COC[C@H]1CCOC1)=[NH+]OCCCCF ZINC000842660788 588050622 /nfs/dbraw/zinc/05/06/22/588050622.db2.gz KLPVJOXVWFCLBJ-JTQLQIEISA-N 1 2 248.298 1.288 20 0 BDADLO Cc1ccc([C@H](O)C[NH2+]CC(F)(F)CO)cc1 ZINC000843081080 588080292 /nfs/dbraw/zinc/08/02/92/588080292.db2.gz OOMASJJHVLTRDW-LLVKDONJSA-N 1 2 245.269 1.246 20 0 BDADLO Cc1cc(NC(=O)C2(F)CC2)c(C)c[nH+]1 ZINC000843569015 588124452 /nfs/dbraw/zinc/12/44/52/588124452.db2.gz BTZSXMVDDZUDGI-UHFFFAOYSA-N 1 2 208.236 1.561 20 0 BDADLO O=C(N1CCCC[C@H]1c1[nH]cc[nH+]1)C1(F)CC1 ZINC000843780410 588139680 /nfs/dbraw/zinc/13/96/80/588139680.db2.gz KMCGIYPECVGQRG-VIFPVBQESA-N 1 2 237.278 1.965 20 0 BDADLO O=C(/C=C/C1CCCC1)NCc1c[nH+]c[nH]1 ZINC000843803752 588141522 /nfs/dbraw/zinc/14/15/22/588141522.db2.gz CHRHOTYHQQOGCJ-AATRIKPKSA-N 1 2 219.288 1.772 20 0 BDADLO O=C(C=CC1CCCC1)NCc1c[nH]c[nH+]1 ZINC000843803752 588141523 /nfs/dbraw/zinc/14/15/23/588141523.db2.gz CHRHOTYHQQOGCJ-AATRIKPKSA-N 1 2 219.288 1.772 20 0 BDADLO C[C@@H](C(=O)Oc1cccc2c1OCCC2)[NH+](C)C ZINC000844011623 588155578 /nfs/dbraw/zinc/15/55/78/588155578.db2.gz GKJHOZLBPMCYED-JTQLQIEISA-N 1 2 249.310 1.867 20 0 BDADLO CCCONC(=O)c1ccc2[nH+]ccn2c1 ZINC000844084334 588162565 /nfs/dbraw/zinc/16/25/65/588162565.db2.gz LPHACKMKYAOFLZ-UHFFFAOYSA-N 1 2 219.244 1.406 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)C1(F)CC1 ZINC000844131014 588169673 /nfs/dbraw/zinc/16/96/73/588169673.db2.gz INLWOZKWTYQFNY-UHFFFAOYSA-N 1 2 223.251 1.112 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCC=C(Cl)Cl ZINC000844239598 588176578 /nfs/dbraw/zinc/17/65/78/588176578.db2.gz RVWXMVVZYDPKAD-YFKPBYRVSA-N 1 2 227.091 1.839 20 0 BDADLO C[C@@H](CC(=O)OCc1ccnn1C)n1cc[nH+]c1 ZINC000844435620 588192984 /nfs/dbraw/zinc/19/29/84/588192984.db2.gz FMGYBGLCUQIQTD-JTQLQIEISA-N 1 2 248.286 1.311 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438273 588193033 /nfs/dbraw/zinc/19/30/33/588193033.db2.gz NDSHSYJIIKECIR-JTQLQIEISA-N 1 2 233.258 1.671 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438273 588193034 /nfs/dbraw/zinc/19/30/34/588193034.db2.gz NDSHSYJIIKECIR-JTQLQIEISA-N 1 2 233.258 1.671 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449218 588195063 /nfs/dbraw/zinc/19/50/63/588195063.db2.gz FMMSOVHEHGHDIV-HLTSFMKQSA-N 1 2 233.258 1.525 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449218 588195065 /nfs/dbraw/zinc/19/50/65/588195065.db2.gz FMMSOVHEHGHDIV-HLTSFMKQSA-N 1 2 233.258 1.525 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=O)n1C ZINC000844684612 588213649 /nfs/dbraw/zinc/21/36/49/588213649.db2.gz MWZUZUHSQAUILY-VIFPVBQESA-N 1 2 240.351 1.214 20 0 BDADLO Cc1nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=O)n1C ZINC000844684612 588213651 /nfs/dbraw/zinc/21/36/51/588213651.db2.gz MWZUZUHSQAUILY-VIFPVBQESA-N 1 2 240.351 1.214 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844759326 588216270 /nfs/dbraw/zinc/21/62/70/588216270.db2.gz WYKIROHXVNNOIW-XHNCKOQMSA-N 1 2 230.258 1.009 20 0 BDADLO C[C@H]1CCN(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844759326 588216271 /nfs/dbraw/zinc/21/62/71/588216271.db2.gz WYKIROHXVNNOIW-XHNCKOQMSA-N 1 2 230.258 1.009 20 0 BDADLO CCNCc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000844905832 588219092 /nfs/dbraw/zinc/21/90/92/588219092.db2.gz HMUVWGIVNZKEEZ-SECBINFHSA-N 1 2 235.291 1.179 20 0 BDADLO CC(C)OCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279738 588224915 /nfs/dbraw/zinc/22/49/15/588224915.db2.gz YYUDQPAXKKJOSI-NSHDSACASA-N 1 2 240.303 1.802 20 0 BDADLO C[C@H](CC(=O)OCCF)n1cc[nH+]c1 ZINC000845283499 588225747 /nfs/dbraw/zinc/22/57/47/588225747.db2.gz DLJSOLOBVBXAHT-MRVPVSSYSA-N 1 2 200.213 1.347 20 0 BDADLO COC/C(C)=C/C(=O)OCc1c[nH+]cn1C ZINC000845479397 588229848 /nfs/dbraw/zinc/22/98/48/588229848.db2.gz NIHYVENPRHSBQF-RUDMXATFSA-N 1 2 224.260 1.056 20 0 BDADLO C/C=C/C(=O)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000106010325 588242742 /nfs/dbraw/zinc/24/27/42/588242742.db2.gz CLAYQBNKZPQAOO-ONEGZZNKSA-N 1 2 249.314 1.203 20 0 BDADLO CCC[C@@H](C)S(=O)(=O)NCc1[nH+]ccn1C ZINC000845912599 588250358 /nfs/dbraw/zinc/25/03/58/588250358.db2.gz PTCAIBQWJJIQSV-SECBINFHSA-N 1 2 245.348 1.028 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccc(C)nn2)[C@@H](C)CO1 ZINC000846044199 588254772 /nfs/dbraw/zinc/25/47/72/588254772.db2.gz FMBRQXMCBHAECZ-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccc(C)nn2)[C@@H](C)CO1 ZINC000846044199 588254773 /nfs/dbraw/zinc/25/47/73/588254773.db2.gz FMBRQXMCBHAECZ-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](C)OCC23CCC3)nn1 ZINC000846066301 588255205 /nfs/dbraw/zinc/25/52/05/588255205.db2.gz BTGQQHWNEKJCSC-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](C)OCC23CCC3)nn1 ZINC000846066301 588255206 /nfs/dbraw/zinc/25/52/06/588255206.db2.gz BTGQQHWNEKJCSC-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC000846087932 588255802 /nfs/dbraw/zinc/25/58/02/588255802.db2.gz VOEGTCRRUXHKFG-NWDGAFQWSA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000846086322 588255957 /nfs/dbraw/zinc/25/59/57/588255957.db2.gz NYTFRSAZAUBPCX-QWRGUYRKSA-N 1 2 228.336 1.470 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000846089997 588256216 /nfs/dbraw/zinc/25/62/16/588256216.db2.gz BHNSMVCIKJGNTI-GHMZBOCLSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000846090242 588256287 /nfs/dbraw/zinc/25/62/87/588256287.db2.gz DLCCRMIQSOEYQW-PWSUYJOCSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@H](CC)C[C@@H](C)CC ZINC000846090464 588256392 /nfs/dbraw/zinc/25/63/92/588256392.db2.gz AYUHNJNTQIKUQG-WDEREUQCSA-N 1 2 230.352 1.859 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)CC(C)C ZINC000846090211 588256464 /nfs/dbraw/zinc/25/64/64/588256464.db2.gz ZRBUHAMTTZYHDQ-VIFPVBQESA-N 1 2 202.298 1.078 20 0 BDADLO Fc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cn1 ZINC000846112827 588257155 /nfs/dbraw/zinc/25/71/55/588257155.db2.gz SVMLWJMTZPHSKB-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO Fc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cn1 ZINC000846112827 588257156 /nfs/dbraw/zinc/25/71/56/588257156.db2.gz SVMLWJMTZPHSKB-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO OC[C@H](CCF)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000846208668 588259974 /nfs/dbraw/zinc/25/99/74/588259974.db2.gz KNLLDNARDLSANA-WCBMZHEXSA-N 1 2 227.283 1.097 20 0 BDADLO CC(C)[C@H](F)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244187 588262491 /nfs/dbraw/zinc/26/24/91/588262491.db2.gz FSUZXQUWUZJIHH-QMMMGPOBSA-N 1 2 227.283 1.755 20 0 BDADLO Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nc1 ZINC000846243954 588262498 /nfs/dbraw/zinc/26/24/98/588262498.db2.gz CGSZZTBERYSYHG-UHFFFAOYSA-N 1 2 244.298 1.778 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000846245310 588262660 /nfs/dbraw/zinc/26/26/60/588262660.db2.gz URPBWILJMVYUFH-SECBINFHSA-N 1 2 235.287 1.454 20 0 BDADLO C[N@@H+](Cc1cnsn1)C[C@@H]1CCCOC1 ZINC000846804016 588289512 /nfs/dbraw/zinc/28/95/12/588289512.db2.gz WNWOWLPGAWRSLF-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO C[N@H+](Cc1cnsn1)C[C@@H]1CCCOC1 ZINC000846804016 588289513 /nfs/dbraw/zinc/28/95/13/588289513.db2.gz WNWOWLPGAWRSLF-VIFPVBQESA-N 1 2 227.333 1.397 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000846815417 588290838 /nfs/dbraw/zinc/29/08/38/588290838.db2.gz KRAFABMHXBSHDP-SNVBAGLBSA-N 1 2 225.317 1.151 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000846815417 588290839 /nfs/dbraw/zinc/29/08/39/588290839.db2.gz KRAFABMHXBSHDP-SNVBAGLBSA-N 1 2 225.317 1.151 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1cnsn1 ZINC000846821127 588291043 /nfs/dbraw/zinc/29/10/43/588291043.db2.gz QDWCZVMXRRNXPE-UHFFFAOYSA-N 1 2 248.355 1.998 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1cnsn1 ZINC000846821127 588291044 /nfs/dbraw/zinc/29/10/44/588291044.db2.gz QDWCZVMXRRNXPE-UHFFFAOYSA-N 1 2 248.355 1.998 20 0 BDADLO CC[C@]1(CO)CCC[N@H+](Cc2cnsn2)C1 ZINC000846859368 588293641 /nfs/dbraw/zinc/29/36/41/588293641.db2.gz UXWZJURWJNMODP-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO CC[C@]1(CO)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846859368 588293642 /nfs/dbraw/zinc/29/36/42/588293642.db2.gz UXWZJURWJNMODP-NSHDSACASA-N 1 2 241.360 1.523 20 0 BDADLO CC[N@@H+](Cc1cnsn1)C[C@@H](C)OC ZINC000846914756 588296586 /nfs/dbraw/zinc/29/65/86/588296586.db2.gz NAPYBYYDHKCWEP-MRVPVSSYSA-N 1 2 215.322 1.395 20 0 BDADLO CC[N@H+](Cc1cnsn1)C[C@@H](C)OC ZINC000846914756 588296587 /nfs/dbraw/zinc/29/65/87/588296587.db2.gz NAPYBYYDHKCWEP-MRVPVSSYSA-N 1 2 215.322 1.395 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2cnsn2)C1 ZINC000846942402 588297799 /nfs/dbraw/zinc/29/77/99/588297799.db2.gz QMTXNOSWMAFQGC-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2cnsn2)C1 ZINC000846942402 588297800 /nfs/dbraw/zinc/29/78/00/588297800.db2.gz QMTXNOSWMAFQGC-QMMMGPOBSA-N 1 2 215.347 1.475 20 0 BDADLO CC(=O)C1CC[NH+]([C@H](C)c2nccc(N)n2)CC1 ZINC000846945102 588298176 /nfs/dbraw/zinc/29/81/76/588298176.db2.gz XKVLEBWOVQBQSH-SECBINFHSA-N 1 2 248.330 1.421 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnsn2)CC1(C)C ZINC000846954660 588298269 /nfs/dbraw/zinc/29/82/69/588298269.db2.gz BMACIUARIJMIFZ-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnsn2)CC1(C)C ZINC000846954660 588298270 /nfs/dbraw/zinc/29/82/70/588298270.db2.gz BMACIUARIJMIFZ-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846983322 588300335 /nfs/dbraw/zinc/30/03/35/588300335.db2.gz HQBAMWCQWUISMO-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846983322 588300336 /nfs/dbraw/zinc/30/03/36/588300336.db2.gz HQBAMWCQWUISMO-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CSCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000847161709 588308120 /nfs/dbraw/zinc/30/81/20/588308120.db2.gz UWZGYADVDXUDHI-UHFFFAOYSA-N 1 2 227.333 1.164 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000847162717 588308176 /nfs/dbraw/zinc/30/81/76/588308176.db2.gz NGWBNJPOGMKLQN-ZJUUUORDSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CCCn1cncn1 ZINC000107357217 588349498 /nfs/dbraw/zinc/34/94/98/588349498.db2.gz BZCJPDJPYYQJOH-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOC/C=C\Cl ZINC000848104894 588356071 /nfs/dbraw/zinc/35/60/71/588356071.db2.gz DNRBPCZLFMVLHD-KZUAUGPASA-N 1 2 243.694 1.389 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOC/C=C\Cl ZINC000848104894 588356073 /nfs/dbraw/zinc/35/60/73/588356073.db2.gz DNRBPCZLFMVLHD-KZUAUGPASA-N 1 2 243.694 1.389 20 0 BDADLO CC[C@@H](C)CONC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848120826 588358922 /nfs/dbraw/zinc/35/89/22/588358922.db2.gz PQIJVBDUATVAED-NXEZZACHSA-N 1 2 239.319 1.682 20 0 BDADLO CC[C@@H](C)CONC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848120826 588358924 /nfs/dbraw/zinc/35/89/24/588358924.db2.gz PQIJVBDUATVAED-NXEZZACHSA-N 1 2 239.319 1.682 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1=COCCC1 ZINC000848174625 588365106 /nfs/dbraw/zinc/36/51/06/588365106.db2.gz QKRSVYHPZVMKIN-UHFFFAOYSA-N 1 2 235.287 1.214 20 0 BDADLO CCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)COC1 ZINC000848387174 588375837 /nfs/dbraw/zinc/37/58/37/588375837.db2.gz LXHVBFLVHKNGHB-MRVPVSSYSA-N 1 2 223.276 1.014 20 0 BDADLO C[C@@H](NC(=O)CSC(F)F)c1[nH]cc[nH+]1 ZINC000848387377 588375996 /nfs/dbraw/zinc/37/59/96/588375996.db2.gz RXKFKLNTWVKESA-RXMQYKEDSA-N 1 2 235.259 1.543 20 0 BDADLO Cc1nc(CO[NH+]=C(N)[C@H]2CCCO2)co1 ZINC000848512167 588388324 /nfs/dbraw/zinc/38/83/24/588388324.db2.gz HRARJYWNAGAXRE-SECBINFHSA-N 1 2 225.248 1.160 20 0 BDADLO CC(=O)c1nccn1Cc1ccc(C)[nH+]c1 ZINC000848512593 588388406 /nfs/dbraw/zinc/38/84/06/588388406.db2.gz KRFOLTDKDIMXHU-UHFFFAOYSA-N 1 2 215.256 1.837 20 0 BDADLO CC(C)c1cc(N[C@@H]2COC(=O)C2)nc[nH+]1 ZINC000848708922 588407266 /nfs/dbraw/zinc/40/72/66/588407266.db2.gz HLOCUNYYXYTSER-QMMMGPOBSA-N 1 2 221.260 1.327 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cnsn1 ZINC000848722618 588408263 /nfs/dbraw/zinc/40/82/63/588408263.db2.gz WJTUORVHFPNQJV-SECBINFHSA-N 1 2 241.316 1.066 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cnsn1 ZINC000848722618 588408264 /nfs/dbraw/zinc/40/82/64/588408264.db2.gz WJTUORVHFPNQJV-SECBINFHSA-N 1 2 241.316 1.066 20 0 BDADLO Cn1cc[nH+]c1-c1cc2c(cc1CO)OCCO2 ZINC000848953928 588422471 /nfs/dbraw/zinc/42/24/71/588422471.db2.gz UYXJZKCONLCHJX-UHFFFAOYSA-N 1 2 246.266 1.351 20 0 BDADLO Cc1[nH]c2ccc(-n3cc([C@H](C)O)nn3)cc2[nH+]1 ZINC000849136371 588453886 /nfs/dbraw/zinc/45/38/86/588453886.db2.gz FZDHYDPRRZPZNC-ZETCQYMHSA-N 1 2 243.270 1.505 20 0 BDADLO Cc1[nH]c2cc(-n3cc([C@H](C)O)nn3)ccc2[nH+]1 ZINC000849136371 588453887 /nfs/dbraw/zinc/45/38/87/588453887.db2.gz FZDHYDPRRZPZNC-ZETCQYMHSA-N 1 2 243.270 1.505 20 0 BDADLO C[C@H](O)c1cn(-c2ccc([NH+](C)C)cc2)nn1 ZINC000849146776 588455559 /nfs/dbraw/zinc/45/55/59/588455559.db2.gz VWDPVHKZCZUHMD-VIFPVBQESA-N 1 2 232.287 1.387 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(C2CC2)no1 ZINC000849228061 588463666 /nfs/dbraw/zinc/46/36/66/588463666.db2.gz BDLMTQBAAXFUFO-QMMMGPOBSA-N 1 2 211.265 1.372 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC000849229821 588463903 /nfs/dbraw/zinc/46/39/03/588463903.db2.gz LVWDEJHHHJZONF-VIFPVBQESA-N 1 2 248.286 1.556 20 0 BDADLO CC(C)CN(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000849407966 588477089 /nfs/dbraw/zinc/47/70/89/588477089.db2.gz RMYGYBVBXMPANQ-UHFFFAOYSA-N 1 2 224.308 1.549 20 0 BDADLO CC(C)CN(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000849407966 588477090 /nfs/dbraw/zinc/47/70/90/588477090.db2.gz RMYGYBVBXMPANQ-UHFFFAOYSA-N 1 2 224.308 1.549 20 0 BDADLO CC(C)CN(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000849397960 588477139 /nfs/dbraw/zinc/47/71/39/588477139.db2.gz HNIWYKBZXQHNID-UHFFFAOYSA-N 1 2 238.335 1.260 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OCC[C@H](C)O)ccn12 ZINC000849821641 588503085 /nfs/dbraw/zinc/50/30/85/588503085.db2.gz UWIDXMMUPKVZCD-JTQLQIEISA-N 1 2 248.282 1.570 20 0 BDADLO CC(C)[C@H](O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000849817639 588503372 /nfs/dbraw/zinc/50/33/72/588503372.db2.gz JFSVVUQBBBSMCS-WDEREUQCSA-N 1 2 240.303 1.394 20 0 BDADLO CC1(C)CC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000850071382 588518039 /nfs/dbraw/zinc/51/80/39/588518039.db2.gz QCFSNNWTEPJTDP-JTQLQIEISA-N 1 2 222.288 1.863 20 0 BDADLO CCc1cc(C[NH2+]Cc2cc3n(n2)CCC3)[nH]n1 ZINC000850137324 588521342 /nfs/dbraw/zinc/52/13/42/588521342.db2.gz MZVQCDZBNACREQ-UHFFFAOYSA-N 1 2 245.330 1.405 20 0 BDADLO CCc1cc(NCc2[nH]c(C)c(C)[nH+]2)nn1C ZINC000850328910 588536900 /nfs/dbraw/zinc/53/69/00/588536900.db2.gz AMXPYVJOOFHMML-UHFFFAOYSA-N 1 2 233.319 1.935 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)c2ncnn21 ZINC000850351795 588537986 /nfs/dbraw/zinc/53/79/86/588537986.db2.gz HXJSMMXVDHMDAM-PSASIEDQSA-N 1 2 218.260 1.667 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(F)nc2C)nn1 ZINC000850367190 588540843 /nfs/dbraw/zinc/54/08/43/588540843.db2.gz WFGPPIAVJNSIFR-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO Cc1ncc(COC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000851445151 588604560 /nfs/dbraw/zinc/60/45/60/588604560.db2.gz NKMWTRAIZSHJFU-VIFPVBQESA-N 1 2 249.270 1.874 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCOC(F)F ZINC000851710576 588615125 /nfs/dbraw/zinc/61/51/25/588615125.db2.gz NRNIMRMDVUBFGR-MRVPVSSYSA-N 1 2 237.246 1.253 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCOC(F)F ZINC000851710576 588615126 /nfs/dbraw/zinc/61/51/26/588615126.db2.gz NRNIMRMDVUBFGR-MRVPVSSYSA-N 1 2 237.246 1.253 20 0 BDADLO C[C@H]1C[NH+](Cc2cccc(F)n2)C[C@H](C)O1 ZINC000851713085 588615895 /nfs/dbraw/zinc/61/58/95/588615895.db2.gz XRTYDXBMTBAFRZ-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC000851721607 588617335 /nfs/dbraw/zinc/61/73/35/588617335.db2.gz NOEZWSQMNNVSGY-ZETCQYMHSA-N 1 2 237.130 1.645 20 0 BDADLO NC(=O)[C@@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC000851721607 588617336 /nfs/dbraw/zinc/61/73/36/588617336.db2.gz NOEZWSQMNNVSGY-ZETCQYMHSA-N 1 2 237.130 1.645 20 0 BDADLO CCCC[N@H+](CC=C(Cl)Cl)CC(N)=O ZINC000851728045 588618738 /nfs/dbraw/zinc/61/87/38/588618738.db2.gz DZBFYMPOHIYBGP-UHFFFAOYSA-N 1 2 239.146 1.893 20 0 BDADLO CCCC[N@@H+](CC=C(Cl)Cl)CC(N)=O ZINC000851728045 588618739 /nfs/dbraw/zinc/61/87/39/588618739.db2.gz DZBFYMPOHIYBGP-UHFFFAOYSA-N 1 2 239.146 1.893 20 0 BDADLO FC(F)OCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000851732126 588619366 /nfs/dbraw/zinc/61/93/66/588619366.db2.gz JVXCDJXVQBMINJ-VIFPVBQESA-N 1 2 245.273 1.828 20 0 BDADLO FC(F)OCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000851732126 588619367 /nfs/dbraw/zinc/61/93/67/588619367.db2.gz JVXCDJXVQBMINJ-VIFPVBQESA-N 1 2 245.273 1.828 20 0 BDADLO O=C1CC[N@H+](CC=C(Cl)Cl)CCN1 ZINC000851750530 588623201 /nfs/dbraw/zinc/62/32/01/588623201.db2.gz GKMFZTFSVVNLOB-UHFFFAOYSA-N 1 2 223.103 1.127 20 0 BDADLO O=C1CC[N@@H+](CC=C(Cl)Cl)CCN1 ZINC000851750530 588623202 /nfs/dbraw/zinc/62/32/02/588623202.db2.gz GKMFZTFSVVNLOB-UHFFFAOYSA-N 1 2 223.103 1.127 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cccc(F)n2)[C@H]1C ZINC000851812257 588632463 /nfs/dbraw/zinc/63/24/63/588632463.db2.gz CRDBPZFOEBBPPE-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cccc(F)n2)[C@H]1C ZINC000851812257 588632464 /nfs/dbraw/zinc/63/24/64/588632464.db2.gz CRDBPZFOEBBPPE-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cnon1 ZINC000851853285 588635332 /nfs/dbraw/zinc/63/53/32/588635332.db2.gz IGVMEPWKOOIPQP-ZDUSSCGKSA-N 1 2 245.282 1.161 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnon1 ZINC000851853285 588635333 /nfs/dbraw/zinc/63/53/33/588635333.db2.gz IGVMEPWKOOIPQP-ZDUSSCGKSA-N 1 2 245.282 1.161 20 0 BDADLO C[C@@H]1CCN(Cc2cnon2)C[C@H]1n1cc[nH+]c1 ZINC000851858655 588635754 /nfs/dbraw/zinc/63/57/54/588635754.db2.gz RTSCMKOBNYOTRI-ZYHUDNBSSA-N 1 2 247.302 1.349 20 0 BDADLO COC(=O)C1([NH2+]CCOC(F)F)CCCC1 ZINC000851869474 588637103 /nfs/dbraw/zinc/63/71/03/588637103.db2.gz JAMFKBUMWNBYQF-UHFFFAOYSA-N 1 2 237.246 1.301 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000851874549 588637906 /nfs/dbraw/zinc/63/79/06/588637906.db2.gz HQBGLGLPIAHNOF-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1ccccc1[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000851874549 588637907 /nfs/dbraw/zinc/63/79/07/588637907.db2.gz HQBGLGLPIAHNOF-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncs2)CCN1C ZINC000851877166 588638495 /nfs/dbraw/zinc/63/84/95/588638495.db2.gz YCQVTKZYRZHKQZ-VIFPVBQESA-N 1 2 211.334 1.279 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncs2)CCN1C ZINC000851877166 588638496 /nfs/dbraw/zinc/63/84/96/588638496.db2.gz YCQVTKZYRZHKQZ-VIFPVBQESA-N 1 2 211.334 1.279 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000851880519 588638824 /nfs/dbraw/zinc/63/88/24/588638824.db2.gz CUDKFRIWNOMRBE-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H](C(F)F)C2)n1 ZINC000851880519 588638825 /nfs/dbraw/zinc/63/88/25/588638825.db2.gz CUDKFRIWNOMRBE-MRVPVSSYSA-N 1 2 230.262 1.385 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3cccc(F)n3)CCN12 ZINC000851884276 588640119 /nfs/dbraw/zinc/64/01/19/588640119.db2.gz PJGZOKKSFZORNV-LLVKDONJSA-N 1 2 249.289 1.027 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(F)n3)CCN12 ZINC000851884276 588640120 /nfs/dbraw/zinc/64/01/20/588640120.db2.gz PJGZOKKSFZORNV-LLVKDONJSA-N 1 2 249.289 1.027 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1ccccn1 ZINC000851921455 588644082 /nfs/dbraw/zinc/64/40/82/588644082.db2.gz RNUCIZMLFSPKJC-QMMMGPOBSA-N 1 2 204.233 1.315 20 0 BDADLO CC[C@@H]([NH2+]Cc1cnon1)c1c(C)nn(C)c1C ZINC000851926881 588644626 /nfs/dbraw/zinc/64/46/26/588644626.db2.gz XLQPMLGVXDDJSE-LLVKDONJSA-N 1 2 249.318 1.661 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccn2)CCC1=O ZINC000851952088 588647270 /nfs/dbraw/zinc/64/72/70/588647270.db2.gz IDFSVMUHUOKRKP-MFKMUULPSA-N 1 2 234.299 1.026 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCC1=O ZINC000851952088 588647271 /nfs/dbraw/zinc/64/72/71/588647271.db2.gz IDFSVMUHUOKRKP-MFKMUULPSA-N 1 2 234.299 1.026 20 0 BDADLO COc1cc(C[NH+]2CCC(F)(F)CC2)on1 ZINC000852001921 588654300 /nfs/dbraw/zinc/65/43/00/588654300.db2.gz QHDHTKLKYSJKHE-UHFFFAOYSA-N 1 2 232.230 1.914 20 0 BDADLO c1nonc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000852063036 588658473 /nfs/dbraw/zinc/65/84/73/588658473.db2.gz MSTBZOBDYLHXPU-NWDGAFQWSA-N 1 2 249.314 1.603 20 0 BDADLO c1nonc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000852063036 588658474 /nfs/dbraw/zinc/65/84/74/588658474.db2.gz MSTBZOBDYLHXPU-NWDGAFQWSA-N 1 2 249.314 1.603 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nnc(C(C)(C)C)o1 ZINC000852284013 588676118 /nfs/dbraw/zinc/67/61/18/588676118.db2.gz FIXXRXNDUQUQBL-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nnc(C(C)(C)C)o1 ZINC000852284013 588676119 /nfs/dbraw/zinc/67/61/19/588676119.db2.gz FIXXRXNDUQUQBL-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO O=C1CCC2=C(CC[N@H+](Cc3ccon3)C2)N1 ZINC000852295320 588676646 /nfs/dbraw/zinc/67/66/46/588676646.db2.gz DLPVCVQGEJIJFA-UHFFFAOYSA-N 1 2 233.271 1.044 20 0 BDADLO O=C1CCC2=C(CC[N@@H+](Cc3ccon3)C2)N1 ZINC000852295320 588676647 /nfs/dbraw/zinc/67/66/47/588676647.db2.gz DLPVCVQGEJIJFA-UHFFFAOYSA-N 1 2 233.271 1.044 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000852310417 588678188 /nfs/dbraw/zinc/67/81/88/588678188.db2.gz RGBPCBNWKPERQS-LLVKDONJSA-N 1 2 240.347 1.757 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852322169 588678365 /nfs/dbraw/zinc/67/83/65/588678365.db2.gz CQTNYUZTZAMHCE-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852322169 588678366 /nfs/dbraw/zinc/67/83/66/588678366.db2.gz CQTNYUZTZAMHCE-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000852320433 588678456 /nfs/dbraw/zinc/67/84/56/588678456.db2.gz KQDJODHVZPLWPH-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1cnc(C[N@H+]2CC3(CCC3)OC[C@H]2C)cn1 ZINC000852441661 588682847 /nfs/dbraw/zinc/68/28/47/588682847.db2.gz PUHPRHIURWPXAN-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1cnc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)cn1 ZINC000852441661 588682848 /nfs/dbraw/zinc/68/28/48/588682848.db2.gz PUHPRHIURWPXAN-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC(=O)CC(C)C)o1 ZINC000852471065 588683374 /nfs/dbraw/zinc/68/33/74/588683374.db2.gz DDYWQGUANQJMEZ-UHFFFAOYSA-N 1 2 239.319 1.815 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC(=O)CC(C)C)o1 ZINC000852471065 588683375 /nfs/dbraw/zinc/68/33/75/588683375.db2.gz DDYWQGUANQJMEZ-UHFFFAOYSA-N 1 2 239.319 1.815 20 0 BDADLO C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1COCCO1 ZINC000852496435 588685694 /nfs/dbraw/zinc/68/56/94/588685694.db2.gz QHVVSZUYEPMULJ-VGANXODHSA-N 1 2 240.130 1.653 20 0 BDADLO C[N@H+](C/C(Cl)=C\Cl)C[C@@H]1COCCO1 ZINC000852496435 588685695 /nfs/dbraw/zinc/68/56/95/588685695.db2.gz QHVVSZUYEPMULJ-VGANXODHSA-N 1 2 240.130 1.653 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C=CCC1 ZINC000852505219 588686617 /nfs/dbraw/zinc/68/66/17/588686617.db2.gz SCZDMCBDHNGBIC-SECBINFHSA-N 1 2 220.276 1.270 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C=CCC1 ZINC000852505219 588686618 /nfs/dbraw/zinc/68/66/18/588686618.db2.gz SCZDMCBDHNGBIC-SECBINFHSA-N 1 2 220.276 1.270 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000852698618 588696642 /nfs/dbraw/zinc/69/66/42/588696642.db2.gz WSBQSTJMFBYMLI-UHFFFAOYSA-N 1 2 233.315 1.450 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000852698618 588696643 /nfs/dbraw/zinc/69/66/43/588696643.db2.gz WSBQSTJMFBYMLI-UHFFFAOYSA-N 1 2 233.315 1.450 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)CC1=CCSC1 ZINC000852747836 588699352 /nfs/dbraw/zinc/69/93/52/588699352.db2.gz YPTGVTOPVMUIFS-SNVBAGLBSA-N 1 2 243.372 1.933 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CC1=CCSC1 ZINC000852747836 588699353 /nfs/dbraw/zinc/69/93/53/588699353.db2.gz YPTGVTOPVMUIFS-SNVBAGLBSA-N 1 2 243.372 1.933 20 0 BDADLO O=C(c1cccnn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000860552521 589105682 /nfs/dbraw/zinc/10/56/82/589105682.db2.gz QGXWGSBAYXXJHI-SNVBAGLBSA-N 1 2 243.270 1.177 20 0 BDADLO O=C(c1cccnn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000860552520 589105825 /nfs/dbraw/zinc/10/58/25/589105825.db2.gz QGXWGSBAYXXJHI-JTQLQIEISA-N 1 2 243.270 1.177 20 0 BDADLO Cc1nocc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000860719008 589116033 /nfs/dbraw/zinc/11/60/33/589116033.db2.gz NKGBWVOOVAPMRQ-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO Cc1nocc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000860719008 589116034 /nfs/dbraw/zinc/11/60/34/589116034.db2.gz NKGBWVOOVAPMRQ-VIFPVBQESA-N 1 2 242.250 1.184 20 0 BDADLO CCCCOCC(=O)NC1=[NH+]CCS1 ZINC000118187979 589160979 /nfs/dbraw/zinc/16/09/79/589160979.db2.gz WOGZHRWGSCQGGJ-UHFFFAOYSA-N 1 2 216.306 1.022 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)C1(C(F)F)CC1 ZINC000861761873 589177089 /nfs/dbraw/zinc/17/70/89/589177089.db2.gz AUCRAZSNYWHIPH-UHFFFAOYSA-N 1 2 241.241 1.340 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)C1(C(F)F)CC1 ZINC000861761873 589177091 /nfs/dbraw/zinc/17/70/91/589177091.db2.gz AUCRAZSNYWHIPH-UHFFFAOYSA-N 1 2 241.241 1.340 20 0 BDADLO CCCONC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000862104284 589191918 /nfs/dbraw/zinc/19/19/18/589191918.db2.gz VRDXRXZWLCLPEG-JTQLQIEISA-N 1 2 237.303 1.212 20 0 BDADLO Cc1c(C[N@@H+]2CCO[C@@H](C)C2)ccnc1F ZINC000862215062 589194814 /nfs/dbraw/zinc/19/48/14/589194814.db2.gz GXMZVRIRHBQAPE-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c(C[N@H+]2CCO[C@@H](C)C2)ccnc1F ZINC000862215062 589194815 /nfs/dbraw/zinc/19/48/15/589194815.db2.gz GXMZVRIRHBQAPE-VIFPVBQESA-N 1 2 224.279 1.750 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2c(C)noc2C)[nH+]1 ZINC000862227198 589195700 /nfs/dbraw/zinc/19/57/00/589195700.db2.gz VYDOLKFOWLKPOC-UHFFFAOYSA-N 1 2 234.303 1.955 20 0 BDADLO Cc1c[nH]c(CN2CCCC3(C2)OCCO3)[nH+]1 ZINC000862302663 589200838 /nfs/dbraw/zinc/20/08/38/589200838.db2.gz YCHKYAIQRNWRTQ-UHFFFAOYSA-N 1 2 237.303 1.057 20 0 BDADLO Cc1c(C[N@@H+]2CC[C@](F)(CO)C2)ccnc1F ZINC000862358111 589203085 /nfs/dbraw/zinc/20/30/85/589203085.db2.gz UUXGGOGBXHAQCK-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1c(C[N@H+]2CC[C@](F)(CO)C2)ccnc1F ZINC000862358111 589203086 /nfs/dbraw/zinc/20/30/86/589203086.db2.gz UUXGGOGBXHAQCK-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)n1 ZINC000862362648 589204147 /nfs/dbraw/zinc/20/41/47/589204147.db2.gz IQXMOPISAMTLND-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)n1 ZINC000862362648 589204149 /nfs/dbraw/zinc/20/41/49/589204149.db2.gz IQXMOPISAMTLND-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1c(C[N@H+](C2CC2)C2COC2)ccnc1F ZINC000862382435 589206954 /nfs/dbraw/zinc/20/69/54/589206954.db2.gz SOPFHGZRJVYVCI-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1c(C[N@@H+](C2CC2)C2COC2)ccnc1F ZINC000862382435 589206955 /nfs/dbraw/zinc/20/69/55/589206955.db2.gz SOPFHGZRJVYVCI-UHFFFAOYSA-N 1 2 236.290 1.892 20 0 BDADLO Fc1cc(C[NH+]2CC(C(F)F)C2)ccn1 ZINC000862389048 589207600 /nfs/dbraw/zinc/20/76/00/589207600.db2.gz FFXYIYHCICVPRD-UHFFFAOYSA-N 1 2 216.206 1.918 20 0 BDADLO Cn1ncc(C[NH+]2CC(Cc3cccs3)C2)n1 ZINC000862538650 589218048 /nfs/dbraw/zinc/21/80/48/589218048.db2.gz BTGQODSQVWGMSR-UHFFFAOYSA-N 1 2 248.355 1.551 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CCOC[C@@H]2CC)C1 ZINC000119334059 589271757 /nfs/dbraw/zinc/27/17/57/589271757.db2.gz LRISSVJRXJPFFC-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CCOC[C@@H]2CC)C1 ZINC000119334059 589271758 /nfs/dbraw/zinc/27/17/58/589271758.db2.gz LRISSVJRXJPFFC-NEPJUHHUSA-N 1 2 240.347 1.313 20 0 BDADLO O=C1c2ncccc2CN1C[NH+](C1CC1)C1CC1 ZINC000863303031 589277715 /nfs/dbraw/zinc/27/77/15/589277715.db2.gz PFOPGZCMGQJJJA-UHFFFAOYSA-N 1 2 243.310 1.622 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1cc(Cl)n(C)n1 ZINC000863459653 589289881 /nfs/dbraw/zinc/28/98/81/589289881.db2.gz QEKAUMQAORWGBN-LURJTMIESA-N 1 2 246.698 1.107 20 0 BDADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000863474232 589291134 /nfs/dbraw/zinc/29/11/34/589291134.db2.gz ACFOBCNFIVNHKQ-MXWKQRLJSA-N 1 2 242.319 1.194 20 0 BDADLO COC1(C(N)=[NH+]OCCOC(C)C)CCCC1 ZINC000863478389 589292318 /nfs/dbraw/zinc/29/23/18/589292318.db2.gz NBJOHXNLOIDDJT-UHFFFAOYSA-N 1 2 244.335 1.869 20 0 BDADLO CC[C@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000119551526 589303142 /nfs/dbraw/zinc/30/31/42/589303142.db2.gz KCKRQPQYRWNHDU-VIFPVBQESA-N 1 2 226.349 1.640 20 0 BDADLO CC[C@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000119551526 589303144 /nfs/dbraw/zinc/30/31/44/589303144.db2.gz KCKRQPQYRWNHDU-VIFPVBQESA-N 1 2 226.349 1.640 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCCC12CC2 ZINC000864079714 589340890 /nfs/dbraw/zinc/34/08/90/589340890.db2.gz YZJLVHSGUVHONU-SNVBAGLBSA-N 1 2 233.315 1.649 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CCCC12CC2 ZINC000864079714 589340892 /nfs/dbraw/zinc/34/08/92/589340892.db2.gz YZJLVHSGUVHONU-SNVBAGLBSA-N 1 2 233.315 1.649 20 0 BDADLO C[C@H](O)c1cccc(N2C[C@@H]3COC[C@@]3(C)C2)[nH+]1 ZINC000864089605 589342694 /nfs/dbraw/zinc/34/26/94/589342694.db2.gz UWFAGMONFOKRKA-MISXGVKJSA-N 1 2 248.326 1.608 20 0 BDADLO CCCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000864429479 589362614 /nfs/dbraw/zinc/36/26/14/589362614.db2.gz TYASVFGCASWEAM-UHFFFAOYSA-N 1 2 248.330 1.453 20 0 BDADLO CCCN(CC1CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864450606 589364248 /nfs/dbraw/zinc/36/42/48/589364248.db2.gz RHBOQJOKMSANCT-NSHDSACASA-N 1 2 237.303 1.092 20 0 BDADLO CC(C)N(C)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000864776895 589393414 /nfs/dbraw/zinc/39/34/14/589393414.db2.gz BJHOBBKYAXYVLO-UHFFFAOYSA-N 1 2 249.289 1.883 20 0 BDADLO Cc1cnc(F)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000864868566 589398786 /nfs/dbraw/zinc/39/87/86/589398786.db2.gz WFLRLADDCFWNOA-UHFFFAOYSA-N 1 2 248.261 1.156 20 0 BDADLO COC/C=C/C(=O)Nc1ccc[nH+]c1N(C)C ZINC000864972247 589402890 /nfs/dbraw/zinc/40/28/90/589402890.db2.gz KQOQNGYNYALFQR-FNORWQNLSA-N 1 2 235.287 1.289 20 0 BDADLO C[N@H+](CCOCC1CC1)Cn1cc(Cl)cn1 ZINC000120376265 589408621 /nfs/dbraw/zinc/40/86/21/589408621.db2.gz IVRSCJHXJNURAM-UHFFFAOYSA-N 1 2 243.738 1.852 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cn1cc(Cl)cn1 ZINC000120376265 589408623 /nfs/dbraw/zinc/40/86/23/589408623.db2.gz IVRSCJHXJNURAM-UHFFFAOYSA-N 1 2 243.738 1.852 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=S)NCC1CC1 ZINC000865262222 589416908 /nfs/dbraw/zinc/41/69/08/589416908.db2.gz LFQKOHLEVAIVTD-UHFFFAOYSA-N 1 2 224.333 1.126 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C3CC3)cn2)[nH]n1 ZINC000865470949 589438974 /nfs/dbraw/zinc/43/89/74/589438974.db2.gz MSAYNLNSWLULFV-UHFFFAOYSA-N 1 2 231.303 1.539 20 0 BDADLO FC(F)CNCc1cn(C2CC2)c[nH+]1 ZINC000865565049 589446763 /nfs/dbraw/zinc/44/67/63/589446763.db2.gz SREWEDLHMOVGHR-UHFFFAOYSA-N 1 2 201.220 1.573 20 0 BDADLO C/C=C\C[C@H](CO)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865682525 589455943 /nfs/dbraw/zinc/45/59/43/589455943.db2.gz GOBITCHEQBQTRF-YZKQYGISSA-N 1 2 236.315 1.874 20 0 BDADLO C[C@@H](O)c1ccc(N(C)CC2(CO)CC2)[nH+]c1 ZINC000865711467 589457907 /nfs/dbraw/zinc/45/79/07/589457907.db2.gz OAEMKFJEEOQEHF-SNVBAGLBSA-N 1 2 236.315 1.344 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccnn1C ZINC000865838449 589464495 /nfs/dbraw/zinc/46/44/95/589464495.db2.gz WOMRHCQZAGHCEY-SNVBAGLBSA-N 1 2 245.330 1.802 20 0 BDADLO C[C@H](C(=O)OCC1CC1)[NH+]1CCSCC1 ZINC000120788093 589466023 /nfs/dbraw/zinc/46/60/23/589466023.db2.gz ACUITOHPIPUFTB-SECBINFHSA-N 1 2 229.345 1.377 20 0 BDADLO C[C@@H]1CCCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865883964 589467247 /nfs/dbraw/zinc/46/72/47/589467247.db2.gz NTCRPVJHFRHBBC-KOLCDFICSA-N 1 2 237.303 1.234 20 0 BDADLO COC/C=C\C(=O)NCCCNc1cccc[nH+]1 ZINC000865952746 589469983 /nfs/dbraw/zinc/46/99/83/589469983.db2.gz PMYOKXZAEUDUIP-DAXSKMNVSA-N 1 2 249.314 1.202 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865961334 589470454 /nfs/dbraw/zinc/47/04/54/589470454.db2.gz CLFPAPKLPDIRTJ-BXKDBHETSA-N 1 2 249.314 1.168 20 0 BDADLO CO[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]cn2)C1 ZINC000866074048 589475040 /nfs/dbraw/zinc/47/50/40/589475040.db2.gz XVYHXNUGCHRGOI-GHMZBOCLSA-N 1 2 221.304 1.789 20 0 BDADLO CO[C@H]1CC[C@H](C)N(c2cc(C)[nH+]cn2)C1 ZINC000866074050 589475089 /nfs/dbraw/zinc/47/50/89/589475089.db2.gz XVYHXNUGCHRGOI-QWRGUYRKSA-N 1 2 221.304 1.789 20 0 BDADLO COC(=O)C1CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000866170032 589478827 /nfs/dbraw/zinc/47/88/27/589478827.db2.gz DRVCBEBYNPFQAX-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2CCC(=O)O2)c(C)[nH+]1 ZINC000866492415 589497588 /nfs/dbraw/zinc/49/75/88/589497588.db2.gz OKOXQBJUCQSGEA-SNVBAGLBSA-N 1 2 234.255 1.343 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)nn1C ZINC000866612807 589504601 /nfs/dbraw/zinc/50/46/01/589504601.db2.gz BSVJBESBEPMDCG-QWRGUYRKSA-N 1 2 247.346 1.874 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)OCCCF ZINC000867544191 589525040 /nfs/dbraw/zinc/52/50/40/589525040.db2.gz IESSTSMBPOSWRO-UHFFFAOYSA-N 1 2 229.255 1.489 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867710854 589531605 /nfs/dbraw/zinc/53/16/05/589531605.db2.gz JNKFDTSKOFWUHV-LLVKDONJSA-N 1 2 245.342 1.470 20 0 BDADLO CC(C)N(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867710854 589531606 /nfs/dbraw/zinc/53/16/06/589531606.db2.gz JNKFDTSKOFWUHV-LLVKDONJSA-N 1 2 245.342 1.470 20 0 BDADLO CCCN(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000867722687 589532300 /nfs/dbraw/zinc/53/23/00/589532300.db2.gz JARSKZZMTBKMPB-UHFFFAOYSA-N 1 2 238.335 1.670 20 0 BDADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC(C2CCCC2)C1 ZINC000867927856 589539917 /nfs/dbraw/zinc/53/99/17/589539917.db2.gz QAHHVWLQMBFSQD-LBPRGKRZSA-N 1 2 249.314 1.092 20 0 BDADLO CC/C=C(/F)C(=O)NCc1c[nH+]cn1C ZINC000868412789 589557140 /nfs/dbraw/zinc/55/71/40/589557140.db2.gz IJGVSCFNKOMXFI-RUDMXATFSA-N 1 2 211.240 1.300 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000868412927 589557785 /nfs/dbraw/zinc/55/77/85/589557785.db2.gz MAPJRJYWVVWFRJ-GHMZBOCLSA-N 1 2 235.331 1.719 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@H]1[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000868507431 589561452 /nfs/dbraw/zinc/56/14/52/589561452.db2.gz VNLBQDBRUFZTGZ-UVOCVTCTSA-N 1 2 233.315 1.879 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@H]2CCn3cc[nH+]c32)[C@@H](C)O1 ZINC000868621507 589568775 /nfs/dbraw/zinc/56/87/75/589568775.db2.gz WGPLIWPNBSSVGK-ZNSHCXBVSA-N 1 2 249.314 1.258 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/COC ZINC000868678928 589572736 /nfs/dbraw/zinc/57/27/36/589572736.db2.gz OTBHIZRNDZBHPS-PORFMDCZSA-N 1 2 237.303 1.283 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868812744 589577937 /nfs/dbraw/zinc/57/79/37/589577937.db2.gz KEIDQOWWLRHGMN-WCBMZHEXSA-N 1 2 237.303 1.233 20 0 BDADLO CC/C=C(/F)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000869301869 589596873 /nfs/dbraw/zinc/59/68/73/589596873.db2.gz MSRFIJONILAHFC-CBVZUMJXSA-N 1 2 225.267 1.861 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000869888658 589635977 /nfs/dbraw/zinc/63/59/77/589635977.db2.gz TTYCWLZWFCMUSE-SASUGWTJSA-N 1 2 246.310 1.999 20 0 BDADLO C/C=C/COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000122900093 589643105 /nfs/dbraw/zinc/64/31/05/589643105.db2.gz JCNPPRYBSVJQAQ-HMDXOVGESA-N 1 2 229.345 1.543 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1F ZINC000870490672 589669217 /nfs/dbraw/zinc/66/92/17/589669217.db2.gz XFDOMIYQWZNBHU-ZJUUUORDSA-N 1 2 239.294 1.739 20 0 BDADLO COC(C)(C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000871258117 589751988 /nfs/dbraw/zinc/75/19/88/589751988.db2.gz VSBSFZMTBUUGTN-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO C[C@@H](CO)SCc1[nH+]ccn1CC(F)F ZINC000871655825 589783093 /nfs/dbraw/zinc/78/30/93/589783093.db2.gz XLGQHWFONGHTAP-ZETCQYMHSA-N 1 2 236.287 1.762 20 0 BDADLO NC(=[NH+]OCCCC1CC1)[C@H]1CCCO1 ZINC000871749436 589805147 /nfs/dbraw/zinc/80/51/47/589805147.db2.gz VYOZULCILMFIGW-SNVBAGLBSA-N 1 2 212.293 1.854 20 0 BDADLO CCCCO[NH+]=C(N)COC1CCC1 ZINC000871774358 589813371 /nfs/dbraw/zinc/81/33/71/589813371.db2.gz BVNWAWKBBNSUSU-UHFFFAOYSA-N 1 2 200.282 1.854 20 0 BDADLO C[C@H]1OCC[C@@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778630 589814060 /nfs/dbraw/zinc/81/40/60/589814060.db2.gz QTHMPWZHLVWROJ-NXEZZACHSA-N 1 2 242.319 1.479 20 0 BDADLO Cc1cccc(CO[NH+]=C(N)COC2CCC2)n1 ZINC000871779078 589814695 /nfs/dbraw/zinc/81/46/95/589814695.db2.gz ZVDXLWXSPKEOAV-UHFFFAOYSA-N 1 2 249.314 1.958 20 0 BDADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)COC1CCC1 ZINC000871778669 589815323 /nfs/dbraw/zinc/81/53/23/589815323.db2.gz RVPUDCSTHWWKEU-RKDXNWHRSA-N 1 2 212.293 1.710 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@@H](O)CC(C)(C)O ZINC000871975117 589850962 /nfs/dbraw/zinc/85/09/62/589850962.db2.gz VNRVJEVNXGITSP-JTQLQIEISA-N 1 2 244.360 1.097 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@@H](O)CC(C)(C)O ZINC000871975117 589850964 /nfs/dbraw/zinc/85/09/64/589850964.db2.gz VNRVJEVNXGITSP-JTQLQIEISA-N 1 2 244.360 1.097 20 0 BDADLO Cc1nonc1CN[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000872138060 589879821 /nfs/dbraw/zinc/87/98/21/589879821.db2.gz ZABGPQTXGAIHSZ-APPZFPTMSA-N 1 2 233.275 1.370 20 0 BDADLO C[N@@H+](Cc1ccc2cc[nH]c2c1)CN1CCC1=O ZINC000872747711 589966501 /nfs/dbraw/zinc/96/65/01/589966501.db2.gz NURFVBSPETUULK-UHFFFAOYSA-N 1 2 243.310 1.790 20 0 BDADLO C[N@H+](Cc1ccc2cc[nH]c2c1)CN1CCC1=O ZINC000872747711 589966504 /nfs/dbraw/zinc/96/65/04/589966504.db2.gz NURFVBSPETUULK-UHFFFAOYSA-N 1 2 243.310 1.790 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]Cc2ccon2)c2ccccc21 ZINC000873136421 589986240 /nfs/dbraw/zinc/98/62/40/589986240.db2.gz ASFLKJWWCJHTGK-QWHCGFSZSA-N 1 2 230.267 1.943 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)Cc1cnc(N)cn1 ZINC000873207123 589993639 /nfs/dbraw/zinc/99/36/39/589993639.db2.gz RNCHFQPFFAJCFL-SNVBAGLBSA-N 1 2 243.314 1.647 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cnc(N)cn1 ZINC000873207123 589993641 /nfs/dbraw/zinc/99/36/41/589993641.db2.gz RNCHFQPFFAJCFL-SNVBAGLBSA-N 1 2 243.314 1.647 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CCC2 ZINC000873264897 590015006 /nfs/dbraw/zinc/01/50/06/590015006.db2.gz IXSGMDVDHSEMGA-JTQLQIEISA-N 1 2 234.303 1.494 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CCC2 ZINC000873264897 590015009 /nfs/dbraw/zinc/01/50/09/590015009.db2.gz IXSGMDVDHSEMGA-JTQLQIEISA-N 1 2 234.303 1.494 20 0 BDADLO CC[C@H](OC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)=O ZINC000873359290 590029999 /nfs/dbraw/zinc/02/99/99/590029999.db2.gz BPEMQQBHNLBLCW-NEPJUHHUSA-N 1 2 241.331 1.772 20 0 BDADLO CC[C@H](OC(=O)[C@H]1CCCC[N@H+]1CC)C(C)=O ZINC000873359290 590030001 /nfs/dbraw/zinc/03/00/01/590030001.db2.gz BPEMQQBHNLBLCW-NEPJUHHUSA-N 1 2 241.331 1.772 20 0 BDADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)=O ZINC000873361237 590030484 /nfs/dbraw/zinc/03/04/84/590030484.db2.gz HQSDGFJXWROFGC-WDEREUQCSA-N 1 2 227.304 1.382 20 0 BDADLO CC[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(C)=O ZINC000873361237 590030486 /nfs/dbraw/zinc/03/04/86/590030486.db2.gz HQSDGFJXWROFGC-WDEREUQCSA-N 1 2 227.304 1.382 20 0 BDADLO CC[C@@H](OC(=O)[C@H](C(C)C)[NH+](C)C)C(C)=O ZINC000873391829 590037137 /nfs/dbraw/zinc/03/71/37/590037137.db2.gz RVMWQEJRVIDWJO-MNOVXSKESA-N 1 2 229.320 1.483 20 0 BDADLO COCCN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124926943 590102174 /nfs/dbraw/zinc/10/21/74/590102174.db2.gz RERJVXKEDSIUSU-SECBINFHSA-N 1 2 210.277 1.218 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874703970 590124404 /nfs/dbraw/zinc/12/44/04/590124404.db2.gz DYRSDNAHGQMZEE-MCWZUMHDSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874703970 590124406 /nfs/dbraw/zinc/12/44/06/590124406.db2.gz DYRSDNAHGQMZEE-MCWZUMHDSA-N 1 2 240.347 1.180 20 0 BDADLO O=C(N[C@H]1CC12CCC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000874779055 590130857 /nfs/dbraw/zinc/13/08/57/590130857.db2.gz WFFJSDLUCYXWHH-PWSUYJOCSA-N 1 2 245.326 1.504 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CC23CCC3)c[nH+]1 ZINC000874783257 590134177 /nfs/dbraw/zinc/13/41/77/590134177.db2.gz KJLRJHQCFPSPMU-VIFPVBQESA-N 1 2 205.261 1.391 20 0 BDADLO C[N@@H+]1CC[C@H](C(=O)NOc2ccccc2F)C1 ZINC000874909580 590154088 /nfs/dbraw/zinc/15/40/88/590154088.db2.gz FLROZIWIXDALEP-VIFPVBQESA-N 1 2 238.262 1.187 20 0 BDADLO C[N@H+]1CC[C@H](C(=O)NOc2ccccc2F)C1 ZINC000874909580 590154089 /nfs/dbraw/zinc/15/40/89/590154089.db2.gz FLROZIWIXDALEP-VIFPVBQESA-N 1 2 238.262 1.187 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875584312 590166059 /nfs/dbraw/zinc/16/60/59/590166059.db2.gz ZVGDPVGSQCPTCV-ONGXEEELSA-N 1 2 248.330 1.296 20 0 BDADLO CCON(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000875628905 590167258 /nfs/dbraw/zinc/16/72/58/590167258.db2.gz TYIFEHGUWIIVSG-SECBINFHSA-N 1 2 238.291 1.311 20 0 BDADLO CCCn1cc(C[N@H+](CC)CCOCC)nn1 ZINC000876645397 590225645 /nfs/dbraw/zinc/22/56/45/590225645.db2.gz NILPHXBSYAESDX-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CCCn1cc(C[N@@H+](CC)CCOCC)nn1 ZINC000876645397 590225647 /nfs/dbraw/zinc/22/56/47/590225647.db2.gz NILPHXBSYAESDX-UHFFFAOYSA-N 1 2 240.351 1.547 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877470309 590335001 /nfs/dbraw/zinc/33/50/01/590335001.db2.gz BOCRJVJDJJYSIR-BQBZGAKWSA-N 1 2 240.130 1.721 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000877471303 590335367 /nfs/dbraw/zinc/33/53/67/590335367.db2.gz RFUXLBJAZDYSEF-KPPDAEKUSA-N 1 2 237.303 1.128 20 0 BDADLO COc1cc(C[NH+]2CC3(C2)CCOC3)sn1 ZINC000877555235 590356317 /nfs/dbraw/zinc/35/63/17/590356317.db2.gz VCWSQXFVBXIBGG-UHFFFAOYSA-N 1 2 240.328 1.374 20 0 BDADLO COC(=O)c1cc(C[NH2+]C(CF)CF)[nH]c1C ZINC000877559613 590358436 /nfs/dbraw/zinc/35/84/36/590358436.db2.gz PTWMOLIWYUGLNY-UHFFFAOYSA-N 1 2 246.257 1.507 20 0 BDADLO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)sn1 ZINC000877580129 590364207 /nfs/dbraw/zinc/36/42/07/590364207.db2.gz NFUJDARWJVAMLR-UHFFFAOYSA-N 1 2 226.345 1.654 20 0 BDADLO COCCC1C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000877623698 590377074 /nfs/dbraw/zinc/37/70/74/590377074.db2.gz XNZLTTKNBVHTDE-UHFFFAOYSA-N 1 2 241.722 1.598 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@H]2CO)c(C)o1 ZINC000877644889 590384629 /nfs/dbraw/zinc/38/46/29/590384629.db2.gz UVVSMUUUIJMNGL-ZDUSSCGKSA-N 1 2 238.331 1.005 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2CO)c(C)o1 ZINC000877644889 590384632 /nfs/dbraw/zinc/38/46/32/590384632.db2.gz UVVSMUUUIJMNGL-ZDUSSCGKSA-N 1 2 238.331 1.005 20 0 BDADLO CC(C)(C)OC1C[NH+](Cc2ccc(CO)o2)C1 ZINC000877770367 590420967 /nfs/dbraw/zinc/42/09/67/590420967.db2.gz VNGAIKHAVURESC-UHFFFAOYSA-N 1 2 239.315 1.771 20 0 BDADLO CCOC(=O)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000877771320 590422621 /nfs/dbraw/zinc/42/26/21/590422621.db2.gz NYCKZCAVNJNPMA-NSHDSACASA-N 1 2 241.331 1.631 20 0 BDADLO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc[nH]n2)C1 ZINC000877828774 590428798 /nfs/dbraw/zinc/42/87/98/590428798.db2.gz LBADPCZLIKGIAA-SECBINFHSA-N 1 2 237.303 1.041 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nn2)CC[C@@H]1O ZINC000126830574 590462937 /nfs/dbraw/zinc/46/29/37/590462937.db2.gz XMSNEGYZZBVZMH-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)CC[C@@H]1O ZINC000126830574 590462939 /nfs/dbraw/zinc/46/29/39/590462939.db2.gz XMSNEGYZZBVZMH-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO Cc1conc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000877994898 590467716 /nfs/dbraw/zinc/46/77/16/590467716.db2.gz OSZATYIGCYYMQR-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1conc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000877994898 590467717 /nfs/dbraw/zinc/46/77/17/590467717.db2.gz OSZATYIGCYYMQR-JTQLQIEISA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cccnc1NC(=O)C[N@@H+]1CCCOCC1 ZINC000878014601 590471554 /nfs/dbraw/zinc/47/15/54/590471554.db2.gz PNRVVWVXVVOXKP-UHFFFAOYSA-N 1 2 249.314 1.051 20 0 BDADLO Cc1cccnc1NC(=O)C[N@H+]1CCCOCC1 ZINC000878014601 590471557 /nfs/dbraw/zinc/47/15/57/590471557.db2.gz PNRVVWVXVVOXKP-UHFFFAOYSA-N 1 2 249.314 1.051 20 0 BDADLO CCOC(=O)C[N@H+](CC[C@@H](O)C(C)C)C1CC1 ZINC000878035837 590477354 /nfs/dbraw/zinc/47/73/54/590477354.db2.gz AGYJPPTZOWWNSC-GFCCVEGCSA-N 1 2 243.347 1.421 20 0 BDADLO CCOC(=O)C[N@@H+](CC[C@@H](O)C(C)C)C1CC1 ZINC000878035837 590477356 /nfs/dbraw/zinc/47/73/56/590477356.db2.gz AGYJPPTZOWWNSC-GFCCVEGCSA-N 1 2 243.347 1.421 20 0 BDADLO CS(C)(=O)=NC(=O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000878049748 590482804 /nfs/dbraw/zinc/48/28/04/590482804.db2.gz MHQUIUWFQMUZBG-SNVBAGLBSA-N 1 2 244.360 1.115 20 0 BDADLO CS(C)(=O)=NC(=O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000878049748 590482806 /nfs/dbraw/zinc/48/28/06/590482806.db2.gz MHQUIUWFQMUZBG-SNVBAGLBSA-N 1 2 244.360 1.115 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC2(CCC2)CO1 ZINC000878097482 590492621 /nfs/dbraw/zinc/49/26/21/590492621.db2.gz DLQINENNNZQFHQ-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CC2(CCC2)CO1 ZINC000878097482 590492623 /nfs/dbraw/zinc/49/26/23/590492623.db2.gz DLQINENNNZQFHQ-GFCCVEGCSA-N 1 2 235.331 1.801 20 0 BDADLO Cc1conc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000878103459 590494984 /nfs/dbraw/zinc/49/49/84/590494984.db2.gz LAVGPXDDOUXZBY-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1conc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000878103459 590494986 /nfs/dbraw/zinc/49/49/86/590494986.db2.gz LAVGPXDDOUXZBY-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO CN1CC[N@H+](C[C@@H]2CCCC(C)(C)O2)CC1=O ZINC000878124696 590501517 /nfs/dbraw/zinc/50/15/17/590501517.db2.gz HLLIXFHRXKBQCA-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CN1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC1=O ZINC000878124696 590501518 /nfs/dbraw/zinc/50/15/18/590501518.db2.gz HLLIXFHRXKBQCA-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO O[C@H](C[C@H](O)Cn1cc[nH+]c1)c1ccccc1 ZINC000878208479 590524062 /nfs/dbraw/zinc/52/40/62/590524062.db2.gz VMRDFMOTYUGRHX-QWHCGFSZSA-N 1 2 232.283 1.368 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000878316674 590542659 /nfs/dbraw/zinc/54/26/59/590542659.db2.gz LIAGQAQNWUAZED-XKSSXDPKSA-N 1 2 236.271 1.616 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000878316674 590542661 /nfs/dbraw/zinc/54/26/61/590542661.db2.gz LIAGQAQNWUAZED-XKSSXDPKSA-N 1 2 236.271 1.616 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nccn1CC(F)F ZINC000878319448 590543655 /nfs/dbraw/zinc/54/36/55/590543655.db2.gz RWVHCRZYOHSWIN-IUCAKERBSA-N 1 2 245.273 1.103 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nccn1CC(F)F ZINC000878319448 590543657 /nfs/dbraw/zinc/54/36/57/590543657.db2.gz RWVHCRZYOHSWIN-IUCAKERBSA-N 1 2 245.273 1.103 20 0 BDADLO Cc1conc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000878323048 590546725 /nfs/dbraw/zinc/54/67/25/590546725.db2.gz SATOTISBIPGZKK-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1conc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000878323048 590546726 /nfs/dbraw/zinc/54/67/26/590546726.db2.gz SATOTISBIPGZKK-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878341335 590551856 /nfs/dbraw/zinc/55/18/56/590551856.db2.gz WPVUZRLTLKMMED-UWVGGRQHSA-N 1 2 246.376 1.504 20 0 BDADLO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878341335 590551857 /nfs/dbraw/zinc/55/18/57/590551857.db2.gz WPVUZRLTLKMMED-UWVGGRQHSA-N 1 2 246.376 1.504 20 0 BDADLO Cc1conc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000878464870 590568715 /nfs/dbraw/zinc/56/87/15/590568715.db2.gz LBXTXTKVCMRURI-UHFFFAOYSA-N 1 2 246.257 1.575 20 0 BDADLO C[C@H]1CCCC[N@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878451871 590569117 /nfs/dbraw/zinc/56/91/17/590569117.db2.gz SCAFUHGLWRBODY-JTQLQIEISA-N 1 2 246.376 1.363 20 0 BDADLO C[C@H]1CCCC[N@@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878451871 590569118 /nfs/dbraw/zinc/56/91/18/590569118.db2.gz SCAFUHGLWRBODY-JTQLQIEISA-N 1 2 246.376 1.363 20 0 BDADLO C=C/C=C\CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477258 590575457 /nfs/dbraw/zinc/57/54/57/590575457.db2.gz HWWXNSBEEDPISY-UMBAGQNISA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C\CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477258 590575459 /nfs/dbraw/zinc/57/54/59/590575459.db2.gz HWWXNSBEEDPISY-UMBAGQNISA-N 1 2 217.259 1.821 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000878504255 590582124 /nfs/dbraw/zinc/58/21/24/590582124.db2.gz YHDBQLCQPKEIEV-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000878504255 590582126 /nfs/dbraw/zinc/58/21/26/590582126.db2.gz YHDBQLCQPKEIEV-MNOVXSKESA-N 1 2 238.335 1.062 20 0 BDADLO O=C(COC1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000878556978 590592312 /nfs/dbraw/zinc/59/23/12/590592312.db2.gz OUQDIWOQNHOOEZ-UHFFFAOYSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCOC1=O ZINC000878631359 590597665 /nfs/dbraw/zinc/59/76/65/590597665.db2.gz FDEJOKDVGUULHJ-KQXIARHKSA-N 1 2 239.315 1.239 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(Cc1coc(C3CC3)n1)C2 ZINC000878629000 590597903 /nfs/dbraw/zinc/59/79/03/590597903.db2.gz QYLRDFOTCGHNNV-UHFFFAOYSA-N 1 2 244.298 1.833 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678309 590608599 /nfs/dbraw/zinc/60/85/99/590608599.db2.gz SPKDKSQJWOVBME-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC(=O)N1 ZINC000878678309 590608600 /nfs/dbraw/zinc/60/86/00/590608600.db2.gz SPKDKSQJWOVBME-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H](C)CC(C)(C)C ZINC000878700354 590610641 /nfs/dbraw/zinc/61/06/41/590610641.db2.gz QAAJOVONJRLXBM-MFKMUULPSA-N 1 2 245.363 1.572 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](C)CC(C)(C)C ZINC000878700350 590612171 /nfs/dbraw/zinc/61/21/71/590612171.db2.gz QAAJOVONJRLXBM-GWCFXTLKSA-N 1 2 245.363 1.572 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878793082 590624335 /nfs/dbraw/zinc/62/43/35/590624335.db2.gz DNPLWTDYBXRYAK-UHFFFAOYSA-N 1 2 230.739 1.683 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878793082 590624336 /nfs/dbraw/zinc/62/43/36/590624336.db2.gz DNPLWTDYBXRYAK-UHFFFAOYSA-N 1 2 230.739 1.683 20 0 BDADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000878802524 590624777 /nfs/dbraw/zinc/62/47/77/590624777.db2.gz JASWHOFLDZFBIJ-VIFPVBQESA-N 1 2 237.290 1.239 20 0 BDADLO CC(C)(O)C[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000878802524 590624780 /nfs/dbraw/zinc/62/47/80/590624780.db2.gz JASWHOFLDZFBIJ-VIFPVBQESA-N 1 2 237.290 1.239 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nocc2C)[C@H](C)CO1 ZINC000878805809 590625234 /nfs/dbraw/zinc/62/52/34/590625234.db2.gz UABMSGDQVMLNEM-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nocc2C)[C@H](C)CO1 ZINC000878805809 590625235 /nfs/dbraw/zinc/62/52/35/590625235.db2.gz UABMSGDQVMLNEM-MNOVXSKESA-N 1 2 224.304 1.982 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878884790 590639184 /nfs/dbraw/zinc/63/91/84/590639184.db2.gz LWEBPLJLIVPALX-WCFLWFBJSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878884790 590639189 /nfs/dbraw/zinc/63/91/89/590639189.db2.gz LWEBPLJLIVPALX-WCFLWFBJSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878884790 590639192 /nfs/dbraw/zinc/63/91/92/590639192.db2.gz LWEBPLJLIVPALX-WCFLWFBJSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878884790 590639195 /nfs/dbraw/zinc/63/91/95/590639195.db2.gz LWEBPLJLIVPALX-WCFLWFBJSA-N 1 2 235.331 1.799 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000878967188 590661883 /nfs/dbraw/zinc/66/18/83/590661883.db2.gz FWZNVFSQWYUKEB-SFYZADRCSA-N 1 2 240.130 1.485 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000878967188 590661884 /nfs/dbraw/zinc/66/18/84/590661884.db2.gz FWZNVFSQWYUKEB-SFYZADRCSA-N 1 2 240.130 1.485 20 0 BDADLO COC(=O)N(C)CC[N@H+](C)Cc1nocc1C ZINC000878952285 590661047 /nfs/dbraw/zinc/66/10/47/590661047.db2.gz WZKYFBAATCRSAA-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO COC(=O)N(C)CC[N@@H+](C)Cc1nocc1C ZINC000878952285 590661048 /nfs/dbraw/zinc/66/10/48/590661048.db2.gz WZKYFBAATCRSAA-UHFFFAOYSA-N 1 2 241.291 1.113 20 0 BDADLO CCCCOC(=O)CC[N@@H+]1CCO[C@H](OC)C1 ZINC000878968697 590663195 /nfs/dbraw/zinc/66/31/95/590663195.db2.gz YVRQIYRKHQVDSO-LBPRGKRZSA-N 1 2 245.319 1.025 20 0 BDADLO CCCCOC(=O)CC[N@H+]1CCO[C@H](OC)C1 ZINC000878968697 590663197 /nfs/dbraw/zinc/66/31/97/590663197.db2.gz YVRQIYRKHQVDSO-LBPRGKRZSA-N 1 2 245.319 1.025 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC000878970270 590665056 /nfs/dbraw/zinc/66/50/56/590665056.db2.gz MEAVXQPMDNDWTM-ZDUSSCGKSA-N 1 2 239.290 1.961 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC000878970270 590665058 /nfs/dbraw/zinc/66/50/58/590665058.db2.gz MEAVXQPMDNDWTM-ZDUSSCGKSA-N 1 2 239.290 1.961 20 0 BDADLO C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)CC[N@@H+]1C ZINC000878977563 590666100 /nfs/dbraw/zinc/66/61/00/590666100.db2.gz QRPCNSYQUVCBQB-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)CC[N@H+]1C ZINC000878977563 590666105 /nfs/dbraw/zinc/66/61/05/590666105.db2.gz QRPCNSYQUVCBQB-SECBINFHSA-N 1 2 249.314 1.328 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC000878993344 590672205 /nfs/dbraw/zinc/67/22/05/590672205.db2.gz ZMVZWOFUCQVTJY-AOOOYVTPSA-N 1 2 238.287 1.366 20 0 BDADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000878993344 590672208 /nfs/dbraw/zinc/67/22/08/590672208.db2.gz ZMVZWOFUCQVTJY-AOOOYVTPSA-N 1 2 238.287 1.366 20 0 BDADLO Cc1conc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000879038098 590683948 /nfs/dbraw/zinc/68/39/48/590683948.db2.gz MOWOFLXKXAWDMH-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1conc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000879038098 590683950 /nfs/dbraw/zinc/68/39/50/590683950.db2.gz MOWOFLXKXAWDMH-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1cc(C[NH2+]Cc2nncn2C)c(C)o1 ZINC000127586391 590716035 /nfs/dbraw/zinc/71/60/35/590716035.db2.gz VJTNKJJDEFMXBS-UHFFFAOYSA-N 1 2 220.276 1.315 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)o1 ZINC000879318555 590739111 /nfs/dbraw/zinc/73/91/11/590739111.db2.gz MNDJIKMXCFYGQB-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)o1 ZINC000879318555 590739112 /nfs/dbraw/zinc/73/91/12/590739112.db2.gz MNDJIKMXCFYGQB-ZJUUUORDSA-N 1 2 239.319 1.631 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2noc(C)n2)C1 ZINC000879322589 590742335 /nfs/dbraw/zinc/74/23/35/590742335.db2.gz WUURSDXHPDBPHJ-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2noc(C)n2)C1 ZINC000879322589 590742338 /nfs/dbraw/zinc/74/23/38/590742338.db2.gz WUURSDXHPDBPHJ-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)o1 ZINC000879618418 590832395 /nfs/dbraw/zinc/83/23/95/590832395.db2.gz YHHLOEBHKQLWOG-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)o1 ZINC000879618418 590832398 /nfs/dbraw/zinc/83/23/98/590832398.db2.gz YHHLOEBHKQLWOG-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623984 590837280 /nfs/dbraw/zinc/83/72/80/590837280.db2.gz KDFUTIFJBSWALY-DTWKUNHWSA-N 1 2 241.360 1.692 20 0 BDADLO C[C@@H](c1csnn1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623984 590837284 /nfs/dbraw/zinc/83/72/84/590837284.db2.gz KDFUTIFJBSWALY-DTWKUNHWSA-N 1 2 241.360 1.692 20 0 BDADLO CC1(C)C[C@H](O)C[N@H+](Cc2cnsn2)C1 ZINC000879623990 590838808 /nfs/dbraw/zinc/83/88/08/590838808.db2.gz KDNLOEJMFYHEEB-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[C@H](O)C[N@@H+](Cc2cnsn2)C1 ZINC000879623990 590838810 /nfs/dbraw/zinc/83/88/10/590838810.db2.gz KDNLOEJMFYHEEB-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO C[S@](=N)(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000879943267 590894125 /nfs/dbraw/zinc/89/41/25/590894125.db2.gz WEWBUEFMWSXIQU-BDJLRTHQSA-N 1 2 243.376 1.304 20 0 BDADLO CCC1(CC)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000880094971 590924419 /nfs/dbraw/zinc/92/44/19/590924419.db2.gz SZNUIFXCWVLLRF-UHFFFAOYSA-N 1 2 224.308 1.665 20 0 BDADLO FC[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000880230329 590961521 /nfs/dbraw/zinc/96/15/21/590961521.db2.gz JUUZKXTZKNSCHD-SECBINFHSA-N 1 2 239.298 1.190 20 0 BDADLO FC[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000880230329 590961523 /nfs/dbraw/zinc/96/15/23/590961523.db2.gz JUUZKXTZKNSCHD-SECBINFHSA-N 1 2 239.298 1.190 20 0 BDADLO COC(=O)c1cnoc1C[NH+]1CCC(F)CC1 ZINC000880239584 590973233 /nfs/dbraw/zinc/97/32/33/590973233.db2.gz MLXQLUVIGCVNMP-UHFFFAOYSA-N 1 2 242.250 1.395 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880296277 590990917 /nfs/dbraw/zinc/99/09/17/590990917.db2.gz YMHCECDSXGDMTK-SECBINFHSA-N 1 2 227.283 1.814 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](CF)C2)no1 ZINC000880296277 590990920 /nfs/dbraw/zinc/99/09/20/590990920.db2.gz YMHCECDSXGDMTK-SECBINFHSA-N 1 2 227.283 1.814 20 0 BDADLO FC[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC000880300808 590997248 /nfs/dbraw/zinc/99/72/48/590997248.db2.gz XBNPTDUEDGARAL-ZETCQYMHSA-N 1 2 201.270 1.330 20 0 BDADLO FC[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000880300808 590997251 /nfs/dbraw/zinc/99/72/51/590997251.db2.gz XBNPTDUEDGARAL-ZETCQYMHSA-N 1 2 201.270 1.330 20 0 BDADLO CO[C@@]1(C(F)(F)F)CC[N@H+](CC(C)=O)C1 ZINC000880308735 590999923 /nfs/dbraw/zinc/99/99/23/590999923.db2.gz HZNBHFZHNFBFHB-QMMMGPOBSA-N 1 2 225.210 1.229 20 0 BDADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](CC(C)=O)C1 ZINC000880308735 590999926 /nfs/dbraw/zinc/99/99/26/590999926.db2.gz HZNBHFZHNFBFHB-QMMMGPOBSA-N 1 2 225.210 1.229 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+](C)Cc2cccn2C)C1 ZINC000128337891 590999967 /nfs/dbraw/zinc/99/99/67/590999967.db2.gz WGYNHDYSDVDLDB-NSHDSACASA-N 1 2 235.331 1.283 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccn2C)C1 ZINC000128337891 590999969 /nfs/dbraw/zinc/99/99/69/590999969.db2.gz WGYNHDYSDVDLDB-NSHDSACASA-N 1 2 235.331 1.283 20 0 BDADLO Cn1nccc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000880366310 591011954 /nfs/dbraw/zinc/01/19/54/591011954.db2.gz FMKHKSFOFQELGW-UHFFFAOYSA-N 1 2 243.314 1.379 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cnc(Cl)c(F)c1)C2 ZINC000880419501 591028048 /nfs/dbraw/zinc/02/80/48/591028048.db2.gz LZRLEKBOQWOUMP-KWQFWETISA-N 1 2 242.681 1.441 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cnc(Cl)c(F)c1)C2 ZINC000880419501 591028051 /nfs/dbraw/zinc/02/80/51/591028051.db2.gz LZRLEKBOQWOUMP-KWQFWETISA-N 1 2 242.681 1.441 20 0 BDADLO O[C@]12C[C@H]1C[N@H+](Cc1cc(C(F)(F)F)co1)C2 ZINC000880420337 591029146 /nfs/dbraw/zinc/02/91/46/591029146.db2.gz DBOXAKPQZMLNEG-WPRPVWTQSA-N 1 2 247.216 1.865 20 0 BDADLO O[C@]12C[C@H]1C[N@@H+](Cc1cc(C(F)(F)F)co1)C2 ZINC000880420337 591029150 /nfs/dbraw/zinc/02/91/50/591029150.db2.gz DBOXAKPQZMLNEG-WPRPVWTQSA-N 1 2 247.216 1.865 20 0 BDADLO Cc1csc(C[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880486522 591062072 /nfs/dbraw/zinc/06/20/72/591062072.db2.gz OJPZUFDPTZMNED-VIFPVBQESA-N 1 2 210.302 1.184 20 0 BDADLO Cc1csc(C[N@H+]2CC=C[C@H]2CO)n1 ZINC000880486522 591062075 /nfs/dbraw/zinc/06/20/75/591062075.db2.gz OJPZUFDPTZMNED-VIFPVBQESA-N 1 2 210.302 1.184 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@H]2CO)oc1C ZINC000880487718 591063069 /nfs/dbraw/zinc/06/30/69/591063069.db2.gz ZGYUKWRRNBSDJD-JTQLQIEISA-N 1 2 208.261 1.024 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@H]2CO)oc1C ZINC000880487718 591063074 /nfs/dbraw/zinc/06/30/74/591063074.db2.gz ZGYUKWRRNBSDJD-JTQLQIEISA-N 1 2 208.261 1.024 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCc2ncncc2C1 ZINC000880596004 591105076 /nfs/dbraw/zinc/10/50/76/591105076.db2.gz XBCUOSNLQQNJND-UHFFFAOYSA-N 1 2 249.314 1.178 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCc2ncncc2C1 ZINC000880596004 591105077 /nfs/dbraw/zinc/10/50/77/591105077.db2.gz XBCUOSNLQQNJND-UHFFFAOYSA-N 1 2 249.314 1.178 20 0 BDADLO C[C@@H](c1cnccn1)[N@@H+]1CCc2ncncc2C1 ZINC000880596807 591106363 /nfs/dbraw/zinc/10/63/63/591106363.db2.gz BCCRDHSWKXRXIT-JTQLQIEISA-N 1 2 241.298 1.386 20 0 BDADLO C[C@@H](c1cnccn1)[N@H+]1CCc2ncncc2C1 ZINC000880596807 591106364 /nfs/dbraw/zinc/10/63/64/591106364.db2.gz BCCRDHSWKXRXIT-JTQLQIEISA-N 1 2 241.298 1.386 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCc2ncncc2C1 ZINC000880600127 591109843 /nfs/dbraw/zinc/10/98/43/591109843.db2.gz XOHPBOBXXNHVHI-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Nc1ncccc1C[N@H+]1CCc2ncncc2C1 ZINC000880600127 591109847 /nfs/dbraw/zinc/10/98/47/591109847.db2.gz XOHPBOBXXNHVHI-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000881495553 591218771 /nfs/dbraw/zinc/21/87/71/591218771.db2.gz LPBUHKHTXINQCC-RYUDHWBXSA-N 1 2 245.326 1.528 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccns2)c[nH+]1 ZINC000881503491 591223841 /nfs/dbraw/zinc/22/38/41/591223841.db2.gz KSPHFFHVMLXPTJ-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO C=C/C=C/CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000881564200 591239070 /nfs/dbraw/zinc/23/90/70/591239070.db2.gz OPMGKNXJPSDHLP-SNAWJCMRSA-N 1 2 205.261 1.580 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CF)C1 ZINC000881674530 591264062 /nfs/dbraw/zinc/26/40/62/591264062.db2.gz PGUWAEDZWSMWTJ-VIFPVBQESA-N 1 2 225.267 1.160 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](CF)C1 ZINC000881674530 591264064 /nfs/dbraw/zinc/26/40/64/591264064.db2.gz PGUWAEDZWSMWTJ-VIFPVBQESA-N 1 2 225.267 1.160 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)C(F)(F)F)c1C ZINC000881791002 591271138 /nfs/dbraw/zinc/27/11/38/591271138.db2.gz CPMUFXZZZXNJHD-ZETCQYMHSA-N 1 2 235.209 1.429 20 0 BDADLO Cc1[nH+]cnc(NCC2(O)CCOCC2)c1C ZINC000881918928 591278915 /nfs/dbraw/zinc/27/89/15/591278915.db2.gz HPRIQAIBEQRHBP-UHFFFAOYSA-N 1 2 237.303 1.047 20 0 BDADLO CC[S@](=O)CCNc1nc[nH+]c(C)c1C ZINC000881962448 591284391 /nfs/dbraw/zinc/28/43/91/591284391.db2.gz BZLNJTBNNQXESO-HNNXBMFYSA-N 1 2 227.333 1.274 20 0 BDADLO COC[C@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000881982394 591285686 /nfs/dbraw/zinc/28/56/86/591285686.db2.gz YPNVLKUENDMIOH-LBPRGKRZSA-N 1 2 235.331 1.956 20 0 BDADLO CSC[C@@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000882004080 591286646 /nfs/dbraw/zinc/28/66/46/591286646.db2.gz ZFYKIYLJGVMROA-NSHDSACASA-N 1 2 241.360 1.619 20 0 BDADLO Cn1c[nH+]c(CSC2=NCCS2)c1 ZINC000882034790 591287032 /nfs/dbraw/zinc/28/70/32/591287032.db2.gz ZFTXIBJCSHUIIB-UHFFFAOYSA-N 1 2 213.331 1.756 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2CCC[C@@H]2O)c1C ZINC000882029863 591288952 /nfs/dbraw/zinc/28/89/52/591288952.db2.gz IZAQSVGUNTWTCB-MNOVXSKESA-N 1 2 221.304 1.666 20 0 BDADLO Cc1[nH+]cnc(NCc2cncnc2N)c1C ZINC000882111026 591299925 /nfs/dbraw/zinc/29/99/25/591299925.db2.gz OLFDWLTWIJNUQG-UHFFFAOYSA-N 1 2 230.275 1.078 20 0 BDADLO Cc1[nH+]cnc(NCC2(CO)CCC2)c1C ZINC000882180960 591312308 /nfs/dbraw/zinc/31/23/08/591312308.db2.gz UWIRNFOGHNULTI-UHFFFAOYSA-N 1 2 221.304 1.668 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCC=CO2)c1 ZINC000882229333 591317754 /nfs/dbraw/zinc/31/77/54/591317754.db2.gz IQUUEECCGPPJQE-LLVKDONJSA-N 1 2 220.272 1.679 20 0 BDADLO Cc1[nH+]cnc(NCCC2CC(O)C2)c1C ZINC000882266032 591322194 /nfs/dbraw/zinc/32/21/94/591322194.db2.gz KOIVRAKHAJCHSY-UHFFFAOYSA-N 1 2 221.304 1.666 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2CCOC[C@H]2C)c1C ZINC000882266954 591323174 /nfs/dbraw/zinc/32/31/74/591323174.db2.gz VUJXUVRBZOLMQE-KCJUWKMLSA-N 1 2 221.304 1.930 20 0 BDADLO Cc1[nH+]cnc(NCc2nnc(C(C)C)[nH]2)c1C ZINC000882407893 591344597 /nfs/dbraw/zinc/34/45/97/591344597.db2.gz FWGPQFUYZPLFQV-UHFFFAOYSA-N 1 2 246.318 1.947 20 0 BDADLO Cc1ncnc(NCCc2cn(C)c[nH+]2)c1C ZINC000882439232 591349017 /nfs/dbraw/zinc/34/90/17/591349017.db2.gz HKZWBBFDEPDQKN-UHFFFAOYSA-N 1 2 231.303 1.482 20 0 BDADLO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000882491796 591368925 /nfs/dbraw/zinc/36/89/25/591368925.db2.gz MEMBKONVIMLWFV-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000882491796 591368931 /nfs/dbraw/zinc/36/89/31/591368931.db2.gz MEMBKONVIMLWFV-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491796 591368934 /nfs/dbraw/zinc/36/89/34/591368934.db2.gz MEMBKONVIMLWFV-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491796 591368937 /nfs/dbraw/zinc/36/89/37/591368937.db2.gz MEMBKONVIMLWFV-NKWVEPMBSA-N 1 2 242.216 1.097 20 0 BDADLO Cc1[nH+]cnc(NCCCc2c[nH][nH]c2=O)c1C ZINC000882618826 591400420 /nfs/dbraw/zinc/40/04/20/591400420.db2.gz VYGFAQJDUXUVQA-SNVBAGLBSA-N 1 2 247.302 1.017 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H]3COC[C@@]3(C)C2)c1C ZINC000882620088 591401578 /nfs/dbraw/zinc/40/15/78/591401578.db2.gz SOPQFLMIKMFQAQ-WCQYABFASA-N 1 2 233.315 1.566 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1C ZINC000882681200 591411898 /nfs/dbraw/zinc/41/18/98/591411898.db2.gz LFXDJZPFTOULFB-JZRPKSSGSA-N 1 2 245.326 1.929 20 0 BDADLO O[C@H](CCNc1cc[nH+]cc1F)C1CCCC1 ZINC000882707937 591415823 /nfs/dbraw/zinc/41/58/23/591415823.db2.gz IPNSJPQVIIMVOP-CYBMUJFWSA-N 1 2 238.306 1.996 20 0 BDADLO Cc1cc(N2CCC[C@@H](CF)C2)nc[nH+]1 ZINC000882801488 591444035 /nfs/dbraw/zinc/44/40/35/591444035.db2.gz RUYQNQULUNOKOB-JTQLQIEISA-N 1 2 209.268 1.971 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](CF)C1 ZINC000882839886 591451548 /nfs/dbraw/zinc/45/15/48/591451548.db2.gz DWHSXFSWUQREJU-QMMMGPOBSA-N 1 2 235.266 1.159 20 0 BDADLO C[C@H](O)c1ccc(N(C)C[C@H]2CCCO2)[nH+]c1 ZINC000213244611 591457971 /nfs/dbraw/zinc/45/79/71/591457971.db2.gz LVINPUGGZWKWNI-CMPLNLGQSA-N 1 2 236.315 1.750 20 0 BDADLO COC[C@@H]1CCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000213306874 591460198 /nfs/dbraw/zinc/46/01/98/591460198.db2.gz HBENPYVDLSEYLT-WDEREUQCSA-N 1 2 236.315 1.608 20 0 BDADLO CC(C)[C@H](O)CCO[NH+]=C(N)c1ccccc1 ZINC000882941438 591480167 /nfs/dbraw/zinc/48/01/67/591480167.db2.gz QWEDWKAEDXGDII-GFCCVEGCSA-N 1 2 236.315 1.940 20 0 BDADLO CC(C)c1c[nH]c(CNc2cnn(CCO)c2)[nH+]1 ZINC000882966637 591487618 /nfs/dbraw/zinc/48/76/18/591487618.db2.gz JXIIPGCYQSCETB-UHFFFAOYSA-N 1 2 249.318 1.334 20 0 BDADLO NC(CO)=[NH+]OCc1ccccc1OC(F)F ZINC000883010971 591510415 /nfs/dbraw/zinc/51/04/15/591510415.db2.gz GPEXXZJFGNJGSS-UHFFFAOYSA-N 1 2 246.213 1.279 20 0 BDADLO CC(C)Oc1cccc(CO[NH+]=C(N)CO)c1 ZINC000883011486 591510892 /nfs/dbraw/zinc/51/08/92/591510892.db2.gz XBCKPCZPQNNIKI-UHFFFAOYSA-N 1 2 238.287 1.465 20 0 BDADLO Cc1ccccc1OCCCO[NH+]=C(N)CO ZINC000883011528 591511735 /nfs/dbraw/zinc/51/17/35/591511735.db2.gz YKACWJMKYYDPGQ-UHFFFAOYSA-N 1 2 238.287 1.255 20 0 BDADLO NC(CO)=[NH+]OC[C@@H]1C[C@H]1c1ccccc1 ZINC000883012841 591512196 /nfs/dbraw/zinc/51/21/96/591512196.db2.gz VOOCRROGMNXWHZ-QWRGUYRKSA-N 1 2 220.272 1.281 20 0 BDADLO C[C@H]1CCC[C@@H](CCO[NH+]=C(N)CO)C1 ZINC000883012121 591512208 /nfs/dbraw/zinc/51/22/08/591512208.db2.gz ULHWRLPKRYDOME-UWVGGRQHSA-N 1 2 214.309 1.694 20 0 BDADLO Cc1noc([C@H](C)O[NH+]=C(N)c2ccccc2)n1 ZINC000883048694 591528153 /nfs/dbraw/zinc/52/81/53/591528153.db2.gz UEOPBDVMXQNTPD-QMMMGPOBSA-N 1 2 246.270 1.986 20 0 BDADLO CC(C)c1c[nH]c(CNCc2ccn(C)n2)[nH+]1 ZINC000883078882 591535219 /nfs/dbraw/zinc/53/52/19/591535219.db2.gz FKLFPRNMPPVYTE-UHFFFAOYSA-N 1 2 233.319 1.556 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncccc2N(C)C)no1 ZINC000883122618 591543622 /nfs/dbraw/zinc/54/36/22/591543622.db2.gz SZYZOAHIXCSRBW-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO COC[C@@H](Nc1cccc[nH+]1)[C@H]1CCCOC1 ZINC000883210783 591573743 /nfs/dbraw/zinc/57/37/43/591573743.db2.gz ZKCLBIBHEZNDEP-NWDGAFQWSA-N 1 2 236.315 1.935 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1C/C=C(\C)C(=O)OC ZINC000214620212 591675860 /nfs/dbraw/zinc/67/58/60/591675860.db2.gz CHCLEIOKBUXKCD-IGLBNKAOSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1COCC[N@H+]1C/C=C(\C)C(=O)OC ZINC000214620212 591675863 /nfs/dbraw/zinc/67/58/63/591675863.db2.gz CHCLEIOKBUXKCD-IGLBNKAOSA-N 1 2 227.304 1.217 20 0 BDADLO C=C/C=C\CCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000883669903 591715102 /nfs/dbraw/zinc/71/51/02/591715102.db2.gz TYPZYYXBWJKXNI-BYCRGOAPSA-N 1 2 246.314 1.759 20 0 BDADLO CC(C)[C@H](F)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800211635 591840846 /nfs/dbraw/zinc/84/08/46/591840846.db2.gz IADSLEJTUFVIMR-QWRGUYRKSA-N 1 2 247.310 1.244 20 0 BDADLO CC(C)[C@H](F)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800211635 591840849 /nfs/dbraw/zinc/84/08/49/591840849.db2.gz IADSLEJTUFVIMR-QWRGUYRKSA-N 1 2 247.310 1.244 20 0 BDADLO CCCNc1cc(N[C@H](CC)CCO)nc[nH+]1 ZINC000134656002 591945043 /nfs/dbraw/zinc/94/50/43/591945043.db2.gz QFQAWFPVQCRCCE-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(N[C@H](CC)CCO)[nH+]cn1 ZINC000134656002 591945045 /nfs/dbraw/zinc/94/50/45/591945045.db2.gz QFQAWFPVQCRCCE-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO C[C@H](O)c1ccc(N(C)[C@@H]2CCOC2)[nH+]c1 ZINC000134729815 591947499 /nfs/dbraw/zinc/94/74/99/591947499.db2.gz JSTVTGSELKOSEV-GXSJLCMTSA-N 1 2 222.288 1.360 20 0 BDADLO CCc1nc(N2CC([C@@H]3CCOC3)C2)cc[nH+]1 ZINC000884492664 591955760 /nfs/dbraw/zinc/95/57/60/591955760.db2.gz ZWXZGJVVZWCSCM-SNVBAGLBSA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N2CC(C)(CCOC)C2)cc[nH+]1 ZINC000884510827 591959009 /nfs/dbraw/zinc/95/90/09/591959009.db2.gz QXTAASRDOLPGIF-UHFFFAOYSA-N 1 2 235.331 1.902 20 0 BDADLO CCc1nc(NC[C@H](C)CCCO)cc[nH+]1 ZINC000884519103 591964133 /nfs/dbraw/zinc/96/41/33/591964133.db2.gz IXDKEYADRXAQGN-SNVBAGLBSA-N 1 2 223.320 1.860 20 0 BDADLO CCc1nc(N[C@H](C)c2ccn(C)n2)cc[nH+]1 ZINC000884527858 591966684 /nfs/dbraw/zinc/96/66/84/591966684.db2.gz BABWZWDEIWAOCU-SECBINFHSA-N 1 2 231.303 1.946 20 0 BDADLO CCc1nc(N[C@H](C)C(=O)NC(C)C)cc[nH+]1 ZINC000884531268 591968915 /nfs/dbraw/zinc/96/89/15/591968915.db2.gz HYNZFWNYOQEJCE-SECBINFHSA-N 1 2 236.319 1.364 20 0 BDADLO CCc1nc(N2CC[C@H](O)CC23CCC3)cc[nH+]1 ZINC000884533953 591969982 /nfs/dbraw/zinc/96/99/82/591969982.db2.gz UIZQYHCOPKLPPV-NSHDSACASA-N 1 2 247.342 1.923 20 0 BDADLO CCc1nc(N[C@H](CO)C2CCC2)cc[nH+]1 ZINC000884553390 591977551 /nfs/dbraw/zinc/97/75/51/591977551.db2.gz WXPLIMSQBDBBAT-SNVBAGLBSA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N2C[C@H](C)C(O)[C@@H](C)C2)cc[nH+]1 ZINC000884556463 591978125 /nfs/dbraw/zinc/97/81/25/591978125.db2.gz QUNRUURCFZOZOV-UWVGGRQHSA-N 1 2 235.331 1.492 20 0 BDADLO CCc1nc(N2CC[C@@H]3COC[C@H]3C2)cc[nH+]1 ZINC000884558683 591979434 /nfs/dbraw/zinc/97/94/34/591979434.db2.gz BGIOQZNCVTXUEA-GHMZBOCLSA-N 1 2 233.315 1.512 20 0 BDADLO CCc1nc(N2CC[C@H](O)C2(C)C)cc[nH+]1 ZINC000884558791 591979766 /nfs/dbraw/zinc/97/97/66/591979766.db2.gz DSKWMFLSJFZTIG-VIFPVBQESA-N 1 2 221.304 1.389 20 0 BDADLO CCc1nc(NCc2ccnn2CC)cc[nH+]1 ZINC000884561347 591980150 /nfs/dbraw/zinc/98/01/50/591980150.db2.gz XRNPGJQWYRXXSL-UHFFFAOYSA-N 1 2 231.303 1.868 20 0 BDADLO CCc1nc(N2CC3(C2)CCCO3)cc[nH+]1 ZINC000884564352 591982120 /nfs/dbraw/zinc/98/21/20/591982120.db2.gz DZQILKUDBDIJFX-UHFFFAOYSA-N 1 2 219.288 1.408 20 0 BDADLO CCc1nc(N[C@@H]2CC=C(C(=O)OC)C2)cc[nH+]1 ZINC000884564072 591982506 /nfs/dbraw/zinc/98/25/06/591982506.db2.gz WVXCEIVWXYIGBX-SNVBAGLBSA-N 1 2 247.298 1.713 20 0 BDADLO CCc1nc(N[C@H](C)[C@@H](O)C(F)(F)F)cc[nH+]1 ZINC000884571670 591984508 /nfs/dbraw/zinc/98/45/08/591984508.db2.gz VMVSAYZUAIXRIV-HZGVNTEJSA-N 1 2 249.236 1.763 20 0 BDADLO c1nnn2c1CN(c1cccc[nH+]1)CCC2 ZINC000884629505 591997979 /nfs/dbraw/zinc/99/79/79/591997979.db2.gz PKDDULCDJORYFL-UHFFFAOYSA-N 1 2 215.260 1.083 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000884639585 592000618 /nfs/dbraw/zinc/00/06/18/592000618.db2.gz CNAFSSHNQLJPJL-AAEUAGOBSA-N 1 2 248.326 1.942 20 0 BDADLO CC(C)c1nc(NCCN2CCNC2=O)cc[nH+]1 ZINC000884692570 592011716 /nfs/dbraw/zinc/01/17/16/592011716.db2.gz IONNHJRUKHVSEX-UHFFFAOYSA-N 1 2 249.318 1.037 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C(C)(C)C)o1 ZINC000135422930 592012041 /nfs/dbraw/zinc/01/20/41/592012041.db2.gz TYXDRYNAEDYKEW-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C(C)(C)C)o1 ZINC000135422930 592012044 /nfs/dbraw/zinc/01/20/44/592012044.db2.gz TYXDRYNAEDYKEW-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO COC(=O)[C@@H]1C[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000884800648 592018225 /nfs/dbraw/zinc/01/82/25/592018225.db2.gz KUPUEBJWWKDXNC-NXEZZACHSA-N 1 2 247.298 1.575 20 0 BDADLO COCCOC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000885096620 592052254 /nfs/dbraw/zinc/05/22/54/592052254.db2.gz KOGSTPWLWHAMHG-VIFPVBQESA-N 1 2 239.275 1.330 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCOC1CCCCC1 ZINC000885981929 592120823 /nfs/dbraw/zinc/12/08/23/592120823.db2.gz QQJIKZXMWMYTSY-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOC1CCCCC1 ZINC000885981929 592120825 /nfs/dbraw/zinc/12/08/25/592120825.db2.gz QQJIKZXMWMYTSY-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080785 592144453 /nfs/dbraw/zinc/14/44/53/592144453.db2.gz FZJRLHOVHXJMJL-GXTWGEPZSA-N 1 2 247.342 1.725 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080785 592144454 /nfs/dbraw/zinc/14/44/54/592144454.db2.gz FZJRLHOVHXJMJL-GXTWGEPZSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080785 592144455 /nfs/dbraw/zinc/14/44/55/592144455.db2.gz FZJRLHOVHXJMJL-GXTWGEPZSA-N 1 2 247.342 1.725 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000886080785 592144456 /nfs/dbraw/zinc/14/44/56/592144456.db2.gz FZJRLHOVHXJMJL-GXTWGEPZSA-N 1 2 247.342 1.725 20 0 BDADLO O[C@H](C[NH2+]Cc1ccn[nH]1)Cc1ccccc1F ZINC000886234705 592182336 /nfs/dbraw/zinc/18/23/36/592182336.db2.gz UJAZBWALXBNVMQ-LBPRGKRZSA-N 1 2 249.289 1.242 20 0 BDADLO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ncco1 ZINC000886272212 592192772 /nfs/dbraw/zinc/19/27/72/592192772.db2.gz KAPAHTTWBCQSKU-JTQLQIEISA-N 1 2 246.314 1.986 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)c1)c1ncco1 ZINC000886273557 592193472 /nfs/dbraw/zinc/19/34/72/592193472.db2.gz BURRAZJBBGSYRT-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO COCCN1CC[C@H]([NH2+][C@@H](C)c2ncco2)C1 ZINC000886274578 592194286 /nfs/dbraw/zinc/19/42/86/592194286.db2.gz WPCUTDWCFSGWRJ-QWRGUYRKSA-N 1 2 239.319 1.046 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncco2)cn1 ZINC000886274212 592194758 /nfs/dbraw/zinc/19/47/58/592194758.db2.gz OFXCNWHITHGCRJ-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO COCCN1CC[C@H]([NH2+][C@H](C)c2ncco2)C1 ZINC000886274577 592195010 /nfs/dbraw/zinc/19/50/10/592195010.db2.gz WPCUTDWCFSGWRJ-MNOVXSKESA-N 1 2 239.319 1.046 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC000886284252 592200135 /nfs/dbraw/zinc/20/01/35/592200135.db2.gz RNJNDOMRPDIQRK-AGIUHOORSA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC000886284252 592200136 /nfs/dbraw/zinc/20/01/36/592200136.db2.gz RNJNDOMRPDIQRK-AGIUHOORSA-N 1 2 241.331 1.249 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCn3nncc3C2)nc1 ZINC000886460945 592227985 /nfs/dbraw/zinc/22/79/85/592227985.db2.gz CQAURRPYYGWSBC-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO Cc1ccc(C[N@H+]2CCCn3nncc3C2)nc1 ZINC000886460945 592227986 /nfs/dbraw/zinc/22/79/86/592227986.db2.gz CQAURRPYYGWSBC-UHFFFAOYSA-N 1 2 243.314 1.387 20 0 BDADLO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ncco2)C1=O ZINC000886532931 592249427 /nfs/dbraw/zinc/24/94/27/592249427.db2.gz RJQAYZQYJHWVAA-UWVGGRQHSA-N 1 2 237.303 1.335 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2ncco2)ccn1 ZINC000886536272 592250485 /nfs/dbraw/zinc/25/04/85/592250485.db2.gz FBQUGCFCFAYYBK-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886550001 592257340 /nfs/dbraw/zinc/25/73/40/592257340.db2.gz QLWBHINSKURNKI-ZDUSSCGKSA-N 1 2 247.346 1.939 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)CCF)C2 ZINC000886607904 592274829 /nfs/dbraw/zinc/27/48/29/592274829.db2.gz BNRHQZVIHFKDFM-UHFFFAOYSA-N 1 2 225.267 1.147 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)no1 ZINC000886623877 592279721 /nfs/dbraw/zinc/27/97/21/592279721.db2.gz QXROXRSMRRWRPQ-ZYHUDNBSSA-N 1 2 237.303 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)no1 ZINC000886623877 592279723 /nfs/dbraw/zinc/27/97/23/592279723.db2.gz QXROXRSMRRWRPQ-ZYHUDNBSSA-N 1 2 237.303 1.115 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)C1=COCC1)C2 ZINC000886623227 592279868 /nfs/dbraw/zinc/27/98/68/592279868.db2.gz XTZYTVRAOVRHFY-UHFFFAOYSA-N 1 2 247.298 1.092 20 0 BDADLO CCc1onc(C)c1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000886678027 592300073 /nfs/dbraw/zinc/30/00/73/592300073.db2.gz QYDNSVMVCJBMFP-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CC[C@@H](NC(=O)c1ccnc(F)c1)c1[nH]cc[nH+]1 ZINC000139421364 592398930 /nfs/dbraw/zinc/39/89/30/592398930.db2.gz AOEGGDWTRWNWCB-SECBINFHSA-N 1 2 248.261 1.825 20 0 BDADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCF ZINC000886951189 592401223 /nfs/dbraw/zinc/40/12/23/592401223.db2.gz YFQWFPYPKIIDBM-UWVGGRQHSA-N 1 2 233.283 1.046 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CCOC(C)C ZINC000887069912 592433542 /nfs/dbraw/zinc/43/35/42/592433542.db2.gz AHFYGIRFVUNITH-JTQLQIEISA-N 1 2 247.360 1.002 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CCOC(C)C ZINC000887069912 592433536 /nfs/dbraw/zinc/43/35/36/592433536.db2.gz AHFYGIRFVUNITH-JTQLQIEISA-N 1 2 247.360 1.002 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@@H+]1CC=C(C)C ZINC000887071891 592434396 /nfs/dbraw/zinc/43/43/96/592434396.db2.gz FCRYWRNZFTUBNW-JTQLQIEISA-N 1 2 229.345 1.543 20 0 BDADLO COC(=O)[C@@H]1CSCC[N@H+]1CC=C(C)C ZINC000887071891 592434400 /nfs/dbraw/zinc/43/44/00/592434400.db2.gz FCRYWRNZFTUBNW-JTQLQIEISA-N 1 2 229.345 1.543 20 0 BDADLO C[N@H+](CCCF)Cc1nnc(C2CC2)o1 ZINC000887137571 592451973 /nfs/dbraw/zinc/45/19/73/592451973.db2.gz MFFQQMUIPJVDKP-UHFFFAOYSA-N 1 2 213.256 1.738 20 0 BDADLO C[N@@H+](CCCF)Cc1nnc(C2CC2)o1 ZINC000887137571 592451974 /nfs/dbraw/zinc/45/19/74/592451974.db2.gz MFFQQMUIPJVDKP-UHFFFAOYSA-N 1 2 213.256 1.738 20 0 BDADLO CCCn1ncnc1C[N@H+](C)CCCF ZINC000887141468 592455661 /nfs/dbraw/zinc/45/56/61/592455661.db2.gz VJDACSMNLRDTCR-UHFFFAOYSA-N 1 2 214.288 1.480 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329920 592481815 /nfs/dbraw/zinc/48/18/15/592481815.db2.gz SIMNULAQZBPKJP-PEGIJTEDSA-N 1 2 208.305 1.345 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329920 592481817 /nfs/dbraw/zinc/48/18/17/592481817.db2.gz SIMNULAQZBPKJP-PEGIJTEDSA-N 1 2 208.305 1.345 20 0 BDADLO Cc1cc(NC(=O)N2C[C@@H]3C[C@@H]3C2)c(C)c[nH+]1 ZINC000887935988 592561185 /nfs/dbraw/zinc/56/11/85/592561185.db2.gz QLLMFLDAHBCPBB-PHIMTYICSA-N 1 2 231.299 1.604 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C(F)(F)F)C1 ZINC000888027002 592567671 /nfs/dbraw/zinc/56/76/71/592567671.db2.gz LUTVAFJNISWLEE-SSDOTTSWSA-N 1 2 247.220 1.363 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889603629 592626686 /nfs/dbraw/zinc/62/66/86/592626686.db2.gz RGOVORWVLSVDGT-WCFLWFBJSA-N 1 2 247.342 1.658 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccnn1C1CC1 ZINC000889684004 592643938 /nfs/dbraw/zinc/64/39/38/592643938.db2.gz QOHXDQPTSIKDTR-UHFFFAOYSA-N 1 2 231.259 1.122 20 0 BDADLO C[C@@H](C(=O)NCc1cn(C)c[nH+]1)c1ccncc1 ZINC000890105071 592681347 /nfs/dbraw/zinc/68/13/47/592681347.db2.gz WAJLKFQBZCHTJE-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000890108181 592682689 /nfs/dbraw/zinc/68/26/89/592682689.db2.gz VLDMJOJTQRDURM-MNOVXSKESA-N 1 2 219.288 1.082 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CC=CC2)c1 ZINC000890114154 592683766 /nfs/dbraw/zinc/68/37/66/592683766.db2.gz VXDFQGYMYRXRQQ-UHFFFAOYSA-N 1 2 205.261 1.003 20 0 BDADLO Cc1ccncc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890110114 592683876 /nfs/dbraw/zinc/68/38/76/592683876.db2.gz KPHKJLFSZIWATI-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCC2CC2)c1 ZINC000890114028 592684835 /nfs/dbraw/zinc/68/48/35/592684835.db2.gz URAJMAYCDGQWMA-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)c(C)[nH]1 ZINC000890117206 592685293 /nfs/dbraw/zinc/68/52/93/592685293.db2.gz NBAQNKZMWLVYAD-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCC(C)(F)F)c1 ZINC000890116702 592685423 /nfs/dbraw/zinc/68/54/23/592685423.db2.gz BFYMGGMRZPITIU-UHFFFAOYSA-N 1 2 231.246 1.472 20 0 BDADLO CCCSCC(=O)NCc1cn(C)c[nH+]1 ZINC000890114417 592685892 /nfs/dbraw/zinc/68/58/92/592685892.db2.gz KPGXBVWLPRTDKJ-UHFFFAOYSA-N 1 2 227.333 1.180 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCOC12CCCC2 ZINC000890410140 592697022 /nfs/dbraw/zinc/69/70/22/592697022.db2.gz LXMINPSEGHJELG-SNVBAGLBSA-N 1 2 249.314 1.170 20 0 BDADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)[O-] ZINC000381284637 601327011 /nfs/dbraw/zinc/32/70/11/601327011.db2.gz ZGQPLDVPYPNYGP-MNOVXSKESA-N 1 2 226.320 1.020 20 0 BDADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)[O-] ZINC000381284637 601327014 /nfs/dbraw/zinc/32/70/14/601327014.db2.gz ZGQPLDVPYPNYGP-MNOVXSKESA-N 1 2 226.320 1.020 20 0 BDADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)[O-] ZINC000381284637 601327016 /nfs/dbraw/zinc/32/70/16/601327016.db2.gz ZGQPLDVPYPNYGP-MNOVXSKESA-N 1 2 226.320 1.020 20 0 BDADLO CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)[O-] ZINC000381284637 601327019 /nfs/dbraw/zinc/32/70/19/601327019.db2.gz ZGQPLDVPYPNYGP-MNOVXSKESA-N 1 2 226.320 1.020 20 0 BDADLO CC[C@@H](CO)Nc1cc(NCCF)[nH+]cn1 ZINC000893660004 635427931 /nfs/dbraw/zinc/42/79/31/635427931.db2.gz QMFUJLRKMCEMKX-QMMMGPOBSA-N 1 2 228.271 1.041 20 0 BDADLO CC[C@@H](CO)Nc1cc(NCCF)nc[nH+]1 ZINC000893660004 635427939 /nfs/dbraw/zinc/42/79/39/635427939.db2.gz QMFUJLRKMCEMKX-QMMMGPOBSA-N 1 2 228.271 1.041 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCc1cccs1 ZINC000074673241 631235790 /nfs/dbraw/zinc/23/57/90/631235790.db2.gz BPQILHRJIGAGTI-UHFFFAOYSA-N 1 2 235.312 1.373 20 0 BDADLO CC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326902 631259346 /nfs/dbraw/zinc/25/93/46/631259346.db2.gz NDHMWIMYCZHJOD-NSHDSACASA-N 1 2 204.273 1.179 20 0 BDADLO CC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326902 631259350 /nfs/dbraw/zinc/25/93/50/631259350.db2.gz NDHMWIMYCZHJOD-NSHDSACASA-N 1 2 204.273 1.179 20 0 BDADLO CC(C)(C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000308395764 631306083 /nfs/dbraw/zinc/30/60/83/631306083.db2.gz YWOBYQYTKPFLFO-UHFFFAOYSA-N 1 2 221.304 1.716 20 0 BDADLO CC/C=C(/C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308391432 631309981 /nfs/dbraw/zinc/30/99/81/631309981.db2.gz MMZNYKPNCOLDOF-WTKPLQERSA-N 1 2 219.288 1.636 20 0 BDADLO Cc1cnc(C)c(NCc2ccc(N)[nH+]c2)n1 ZINC000308390979 631310320 /nfs/dbraw/zinc/31/03/20/631310320.db2.gz KRIOCMYQNNXHFE-UHFFFAOYSA-N 1 2 229.287 1.683 20 0 BDADLO CC(C)[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308393977 631311146 /nfs/dbraw/zinc/31/11/46/631311146.db2.gz UIAWPXOTJWZDFE-SECBINFHSA-N 1 2 221.304 1.572 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@@H]2CO)cc[nH+]1 ZINC000078363562 631332867 /nfs/dbraw/zinc/33/28/67/631332867.db2.gz FFPLFXLFCBVXSS-NXEZZACHSA-N 1 2 207.277 1.358 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)C1CC1 ZINC000891692866 631449717 /nfs/dbraw/zinc/44/97/17/631449717.db2.gz SSFJUVJITSJVKK-MRVPVSSYSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)C1CC1 ZINC000891692866 631449723 /nfs/dbraw/zinc/44/97/23/631449723.db2.gz SSFJUVJITSJVKK-MRVPVSSYSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(NCC2(OC)CCC2)[nH+]cn1 ZINC000234490753 631549574 /nfs/dbraw/zinc/54/95/74/631549574.db2.gz DCNJZSXQXLEVTK-UHFFFAOYSA-N 1 2 222.292 1.499 20 0 BDADLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@H]2CO)cc1 ZINC000934024767 631599987 /nfs/dbraw/zinc/59/99/87/631599987.db2.gz GLCDBYPMSXJICB-ZDUSSCGKSA-N 1 2 248.326 1.254 20 0 BDADLO CCc1ccc(NC(=O)C[N@H+]2CC[C@H]2CO)cc1 ZINC000934024767 631599994 /nfs/dbraw/zinc/59/99/94/631599994.db2.gz GLCDBYPMSXJICB-ZDUSSCGKSA-N 1 2 248.326 1.254 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000934024804 631601478 /nfs/dbraw/zinc/60/14/78/631601478.db2.gz WSMOYZUQCBCJCK-SECBINFHSA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000934024804 631601488 /nfs/dbraw/zinc/60/14/88/631601488.db2.gz WSMOYZUQCBCJCK-SECBINFHSA-N 1 2 213.227 1.531 20 0 BDADLO Cc1ccc2nc(C[N@@H+]3CC[C@H]3CO)cn2c1 ZINC000934026645 631603244 /nfs/dbraw/zinc/60/32/44/631603244.db2.gz OLFBGDXFPDVUAM-LBPRGKRZSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1ccc2nc(C[N@H+]3CC[C@H]3CO)cn2c1 ZINC000934026645 631603248 /nfs/dbraw/zinc/60/32/48/631603248.db2.gz OLFBGDXFPDVUAM-LBPRGKRZSA-N 1 2 231.299 1.209 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cccc(F)c1F ZINC000934027384 631605098 /nfs/dbraw/zinc/60/50/98/631605098.db2.gz UBZNCQBUUBRRTA-VIFPVBQESA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cccc(F)c1F ZINC000934027384 631605100 /nfs/dbraw/zinc/60/51/00/631605100.db2.gz UBZNCQBUUBRRTA-VIFPVBQESA-N 1 2 213.227 1.531 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000934018845 631617246 /nfs/dbraw/zinc/61/72/46/631617246.db2.gz YUVGPWLZVUXXGO-ZETCQYMHSA-N 1 2 217.721 1.968 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccc(Cl)s1 ZINC000934018845 631617252 /nfs/dbraw/zinc/61/72/52/631617252.db2.gz YUVGPWLZVUXXGO-ZETCQYMHSA-N 1 2 217.721 1.968 20 0 BDADLO C/C=C(\C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000308871331 631699914 /nfs/dbraw/zinc/69/99/14/631699914.db2.gz ZANGAIXGCZEMAM-FPYGCLRLSA-N 1 2 206.245 1.673 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@]1(C)C=CCC1 ZINC000924407739 631739760 /nfs/dbraw/zinc/73/97/60/631739760.db2.gz KXOGOEOFMWRTEU-CYBMUJFWSA-N 1 2 234.299 1.862 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@H](CC)CO ZINC000308970633 631774349 /nfs/dbraw/zinc/77/43/49/631774349.db2.gz ZEPCBLXDDPKRIU-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO COc1ccc([C@H]2CCC[N@@H+]2CC(C)=O)nc1 ZINC000934341233 631791808 /nfs/dbraw/zinc/79/18/08/631791808.db2.gz JDYGUGZCOHDFIC-CYBMUJFWSA-N 1 2 234.299 1.816 20 0 BDADLO COc1ccc([C@H]2CCC[N@H+]2CC(C)=O)nc1 ZINC000934341233 631791811 /nfs/dbraw/zinc/79/18/11/631791811.db2.gz JDYGUGZCOHDFIC-CYBMUJFWSA-N 1 2 234.299 1.816 20 0 BDADLO Cc1ccccc1[C@@H](O)Cn1cc[nH+]c1 ZINC000044180591 631813900 /nfs/dbraw/zinc/81/39/00/631813900.db2.gz UHLSZTAEJCNPBV-LBPRGKRZSA-N 1 2 202.257 1.925 20 0 BDADLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1ccno1 ZINC000934477663 631870079 /nfs/dbraw/zinc/87/00/79/631870079.db2.gz LZWCWGBNERPOIW-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO C[C@]1(C2CC2)COCC[N@H+]1Cc1ccno1 ZINC000934477663 631870082 /nfs/dbraw/zinc/87/00/82/631870082.db2.gz LZWCWGBNERPOIW-GFCCVEGCSA-N 1 2 222.288 1.676 20 0 BDADLO COc1ccc(OC)c(C[NH2+]Cc2cnc[nH]2)c1 ZINC000112339800 631883521 /nfs/dbraw/zinc/88/35/21/631883521.db2.gz FWZZZUCIGIAUQW-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934580173 631950609 /nfs/dbraw/zinc/95/06/09/631950609.db2.gz ITEFLMZUVWHBDS-USWWRNFRSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934580173 631950613 /nfs/dbraw/zinc/95/06/13/631950613.db2.gz ITEFLMZUVWHBDS-USWWRNFRSA-N 1 2 224.279 1.547 20 0 BDADLO Nc1ccc(COC(=O)[C@]23C[C@H]2CCC3)c[nH+]1 ZINC000924436200 631986437 /nfs/dbraw/zinc/98/64/37/631986437.db2.gz YSLLYQPGEMTPGQ-ZWNOBZJWSA-N 1 2 232.283 1.897 20 0 BDADLO CCN(C(=O)c1occc1C)C1C[NH+](CC)C1 ZINC000949678622 632011944 /nfs/dbraw/zinc/01/19/44/632011944.db2.gz OGZGJGMXTJJRGD-UHFFFAOYSA-N 1 2 236.315 1.754 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]CC[C@H]1CCCO1 ZINC000934819915 632091134 /nfs/dbraw/zinc/09/11/34/632091134.db2.gz LBDFHWCZAFSBPW-LLVKDONJSA-N 1 2 243.347 1.875 20 0 BDADLO CO[C@@H]1C[N@H+](CC(=O)OCC(C)C)CC[C@@H]1C ZINC000251497846 635704885 /nfs/dbraw/zinc/70/48/85/635704885.db2.gz BJUWOIFVWIFLIU-NWDGAFQWSA-N 1 2 243.347 1.542 20 0 BDADLO CO[C@@H]1C[N@@H+](CC(=O)OCC(C)C)CC[C@@H]1C ZINC000251497846 635704890 /nfs/dbraw/zinc/70/48/90/635704890.db2.gz BJUWOIFVWIFLIU-NWDGAFQWSA-N 1 2 243.347 1.542 20 0 BDADLO c1c[nH]c(C[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000091661770 632121173 /nfs/dbraw/zinc/12/11/73/632121173.db2.gz HIBGAUJPXIYSOX-NSHDSACASA-N 1 2 228.299 1.972 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000131109664 632451861 /nfs/dbraw/zinc/45/18/61/632451861.db2.gz NFGTUVRMUGKRTF-KZQRZKTQSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000131109664 632451870 /nfs/dbraw/zinc/45/18/70/632451870.db2.gz NFGTUVRMUGKRTF-KZQRZKTQSA-N 1 2 241.331 1.605 20 0 BDADLO CSC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000849988378 632574013 /nfs/dbraw/zinc/57/40/13/632574013.db2.gz VCSBMTSNOKADDD-UHFFFAOYSA-N 1 2 240.328 1.849 20 0 BDADLO C[C@@H](O)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935332560 632622201 /nfs/dbraw/zinc/62/22/01/632622201.db2.gz CLSCZEDPXQDYMW-RKDXNWHRSA-N 1 2 247.298 1.452 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000310539830 632754033 /nfs/dbraw/zinc/75/40/33/632754033.db2.gz SGZIGZIDNXVOGW-UHFFFAOYSA-N 1 2 237.253 1.988 20 0 BDADLO COc1ccc(C[NH+]2CCC(C(C)=O)CC2)nn1 ZINC000310639312 632811734 /nfs/dbraw/zinc/81/17/34/632811734.db2.gz BNWPCTGEDTTXQB-UHFFFAOYSA-N 1 2 249.314 1.286 20 0 BDADLO CCC[C@@H](C)[C@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000894381697 635873372 /nfs/dbraw/zinc/87/33/72/635873372.db2.gz ITXHHAGZKYTASP-ZJUUUORDSA-N 1 2 238.335 1.727 20 0 BDADLO CCC[C@@H](C)[C@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000894381697 635873376 /nfs/dbraw/zinc/87/33/76/635873376.db2.gz ITXHHAGZKYTASP-ZJUUUORDSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@@H](COC)Nc1cc(N(C)C)nc[nH+]1 ZINC000892622913 633022134 /nfs/dbraw/zinc/02/21/34/633022134.db2.gz VCVOKROJYXZGOD-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO CC[C@@H](COC)Nc1cc(N(C)C)[nH+]cn1 ZINC000892622913 633022138 /nfs/dbraw/zinc/02/21/38/633022138.db2.gz VCVOKROJYXZGOD-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO C[C@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)C=CCC1 ZINC000935922446 633106178 /nfs/dbraw/zinc/10/61/78/633106178.db2.gz DLHUBVTXLRRZDX-FZMZJTMJSA-N 1 2 245.326 1.670 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000122307217 633205758 /nfs/dbraw/zinc/20/57/58/633205758.db2.gz PLYXVLUHUJVAHP-HTQZYQBOSA-N 1 2 222.292 1.090 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](O)C2(C)C)[nH+]cn1 ZINC000122307217 633205762 /nfs/dbraw/zinc/20/57/62/633205762.db2.gz PLYXVLUHUJVAHP-HTQZYQBOSA-N 1 2 222.292 1.090 20 0 BDADLO CCc1cc(N2C[C@H]3CC[C@@H](C2)O3)nc(CC)[nH+]1 ZINC000892749914 633217253 /nfs/dbraw/zinc/21/72/53/633217253.db2.gz HEEBPIOCQHREMV-TXEJJXNPSA-N 1 2 247.342 1.969 20 0 BDADLO CN(C)c1cc(N2CC[C@]3(CCOC3)C2)nc[nH+]1 ZINC000892888325 633238004 /nfs/dbraw/zinc/23/80/04/633238004.db2.gz GRBSUVKHFJRJLL-ZDUSSCGKSA-N 1 2 248.330 1.159 20 0 BDADLO CN(C)c1cc(N2CC[C@]3(CCOC3)C2)[nH+]cn1 ZINC000892888325 633238007 /nfs/dbraw/zinc/23/80/07/633238007.db2.gz GRBSUVKHFJRJLL-ZDUSSCGKSA-N 1 2 248.330 1.159 20 0 BDADLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029183787 636006939 /nfs/dbraw/zinc/00/69/39/636006939.db2.gz YTEJTTJSSJMOLA-TXEJJXNPSA-N 1 2 240.322 1.431 20 0 BDADLO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029183787 636006941 /nfs/dbraw/zinc/00/69/41/636006941.db2.gz YTEJTTJSSJMOLA-TXEJJXNPSA-N 1 2 240.322 1.431 20 0 BDADLO CS[C@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC000894981985 636010951 /nfs/dbraw/zinc/01/09/51/636010951.db2.gz ALQGXEUWCUKOMQ-KYZUINATSA-N 1 2 238.360 1.849 20 0 BDADLO CS[C@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC000894981985 636010954 /nfs/dbraw/zinc/01/09/54/636010954.db2.gz ALQGXEUWCUKOMQ-KYZUINATSA-N 1 2 238.360 1.849 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000894980307 636011887 /nfs/dbraw/zinc/01/18/87/636011887.db2.gz OGEYEQOGNZDNRM-UHFFFAOYSA-N 1 2 249.266 1.200 20 0 BDADLO O=c1ccc(C[NH+]2CC(C(F)(F)F)C2)c[nH]1 ZINC000894891247 636000186 /nfs/dbraw/zinc/00/01/86/636000186.db2.gz WGCJHJYHJYSXJK-UHFFFAOYSA-N 1 2 232.205 1.781 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cccnc1 ZINC000895118069 636065032 /nfs/dbraw/zinc/06/50/32/636065032.db2.gz YUCRFQJGEBXPQD-GARJFASQSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cccnc1 ZINC000895118069 636065035 /nfs/dbraw/zinc/06/50/35/636065035.db2.gz YUCRFQJGEBXPQD-GARJFASQSA-N 1 2 233.315 1.179 20 0 BDADLO C[C@H]1OCCN(c2nccn3c[nH+]cc23)[C@H]1C ZINC000892942282 633750016 /nfs/dbraw/zinc/75/00/16/633750016.db2.gz VRXABDFWKJUJHL-VHSXEESVSA-N 1 2 232.287 1.343 20 0 BDADLO CC(C)n1cc([C@H](C)NC[C@@H]2CC[N@@H+]2C)nn1 ZINC000926895190 633818878 /nfs/dbraw/zinc/81/88/78/633818878.db2.gz UHASQRDCIYSNMA-QWRGUYRKSA-N 1 2 237.351 1.214 20 0 BDADLO CC(C)n1cc([C@H](C)NC[C@@H]2CC[N@H+]2C)nn1 ZINC000926895190 633818883 /nfs/dbraw/zinc/81/88/83/633818883.db2.gz UHASQRDCIYSNMA-QWRGUYRKSA-N 1 2 237.351 1.214 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000053174075 633876019 /nfs/dbraw/zinc/87/60/19/633876019.db2.gz KXLJEXVCXVPXTR-GUBZILKMSA-N 1 2 217.309 1.199 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000053174074 633877126 /nfs/dbraw/zinc/87/71/26/633877126.db2.gz KXLJEXVCXVPXTR-UTLUCORTSA-N 1 2 217.309 1.199 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CC)C(C)(C)C ZINC000309894999 633911177 /nfs/dbraw/zinc/91/11/77/633911177.db2.gz FOLODYQVNIWJDE-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2COC[C@H]2C)c(C)c[nH+]1 ZINC000930625571 633953570 /nfs/dbraw/zinc/95/35/70/633953570.db2.gz ISEUBNIPVINORV-BXKDBHETSA-N 1 2 249.314 1.277 20 0 BDADLO C[NH+](C)[C@H](C(=O)O[C@H]1CCOC1)c1ccccc1 ZINC000194929174 634340531 /nfs/dbraw/zinc/34/05/31/634340531.db2.gz MYVDWLMBFLFQDH-STQMWFEESA-N 1 2 249.310 1.621 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000336599593 635188065 /nfs/dbraw/zinc/18/80/65/635188065.db2.gz VCUZCNKAUPIVSW-ZJUUUORDSA-N 1 2 236.319 1.408 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094369926 635317146 /nfs/dbraw/zinc/31/71/46/635317146.db2.gz IAUZOSKSICJKLF-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@@H](CO)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000931765086 635324603 /nfs/dbraw/zinc/32/46/03/635324603.db2.gz BEEXTGKFPLBPFX-QMMMGPOBSA-N 1 2 227.308 1.228 20 0 BDADLO Cc1ncccc1C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895118080 636065420 /nfs/dbraw/zinc/06/54/20/636065420.db2.gz ZDLVCDKYYTYCKX-ZMLRMANQSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1ncccc1C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895118080 636065422 /nfs/dbraw/zinc/06/54/22/636065422.db2.gz ZDLVCDKYYTYCKX-ZMLRMANQSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](CO)C2)c2c([nH+]1)CCCC2 ZINC000896689861 636214885 /nfs/dbraw/zinc/21/48/85/636214885.db2.gz JEGNRHFHPDIVTD-XYPYZODXSA-N 1 2 247.342 1.847 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)CCn1cc[nH+]c1 ZINC000928933759 636540632 /nfs/dbraw/zinc/54/06/32/636540632.db2.gz FFNHNNMZUIYPFD-SNAWJCMRSA-N 1 2 241.722 1.921 20 0 BDADLO Cc1noc(C2C[NH+](Cc3oc(C)nc3C)C2)n1 ZINC000862388355 636624815 /nfs/dbraw/zinc/62/48/15/636624815.db2.gz ACQRYVUMSAFDQG-UHFFFAOYSA-N 1 2 248.286 1.582 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCCCCC1 ZINC000074673427 636653192 /nfs/dbraw/zinc/65/31/92/636653192.db2.gz MFUQNCPIWHSVAN-UHFFFAOYSA-N 1 2 207.277 1.355 20 0 BDADLO C[C@H](c1nc(Cc2ccccn2)no1)[NH+](C)C ZINC000923754494 636867217 /nfs/dbraw/zinc/86/72/17/636867217.db2.gz FLFLRQPHCZZKKQ-SECBINFHSA-N 1 2 232.287 1.678 20 0 BDADLO C[C@H]1C[C@H]1c1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923920936 636986755 /nfs/dbraw/zinc/98/67/55/636986755.db2.gz JDQLVUIJNGYVIU-SGIHWFKDSA-N 1 2 237.303 1.585 20 0 BDADLO C[C@H]1C[C@H]1c1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923920936 636986757 /nfs/dbraw/zinc/98/67/57/636986757.db2.gz JDQLVUIJNGYVIU-SGIHWFKDSA-N 1 2 237.303 1.585 20 0 BDADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCC(=O)C(F)F ZINC000923890561 637003327 /nfs/dbraw/zinc/00/33/27/637003327.db2.gz YVMDGMZEZGMFDL-MRVPVSSYSA-N 1 2 249.257 1.237 20 0 BDADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC(=O)C(F)F ZINC000923890561 637003332 /nfs/dbraw/zinc/00/33/32/637003332.db2.gz YVMDGMZEZGMFDL-MRVPVSSYSA-N 1 2 249.257 1.237 20 0 BDADLO C[C@@H](c1ccco1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900140932 637172043 /nfs/dbraw/zinc/17/20/43/637172043.db2.gz KYXORJINMSBJFS-VIFPVBQESA-N 1 2 233.271 1.765 20 0 BDADLO CC(C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900907904 637201191 /nfs/dbraw/zinc/20/11/91/637201191.db2.gz LMDFVHYVCYUAPT-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900946593 637207073 /nfs/dbraw/zinc/20/70/73/637207073.db2.gz OQBPUIWJEKUNCJ-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO CCC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901008397 637220110 /nfs/dbraw/zinc/22/01/10/637220110.db2.gz KPAOOBCDCRDZJP-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000901026351 637227429 /nfs/dbraw/zinc/22/74/29/637227429.db2.gz LMXPMEIZLAJDBO-IUCAKERBSA-N 1 2 207.277 1.352 20 0 BDADLO C[C@H]1CC[C@H](C)N1C(=O)CNc1cccc[nH+]1 ZINC000901029259 637229155 /nfs/dbraw/zinc/22/91/55/637229155.db2.gz MIELVLAFWJCUFQ-QWRGUYRKSA-N 1 2 233.315 1.893 20 0 BDADLO CC[N@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000901427114 637250996 /nfs/dbraw/zinc/25/09/96/637250996.db2.gz TULPHWUNVXMTRE-UHFFFAOYSA-N 1 2 233.271 1.241 20 0 BDADLO CC[N@@H+](CC(=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000901427114 637251003 /nfs/dbraw/zinc/25/10/03/637251003.db2.gz TULPHWUNVXMTRE-UHFFFAOYSA-N 1 2 233.271 1.241 20 0 BDADLO O=C1OCCN1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000902268057 637288464 /nfs/dbraw/zinc/28/84/64/637288464.db2.gz HXASZMPWWBWNPN-UHFFFAOYSA-N 1 2 248.282 1.778 20 0 BDADLO O=C1OCCN1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000902268057 637288469 /nfs/dbraw/zinc/28/84/69/637288469.db2.gz HXASZMPWWBWNPN-UHFFFAOYSA-N 1 2 248.282 1.778 20 0 BDADLO COC1(c2nc(-c3ccc(N)[nH+]c3C)no2)CC1 ZINC000904262377 637392442 /nfs/dbraw/zinc/39/24/42/637392442.db2.gz FOFNXYUUEQIHPA-UHFFFAOYSA-N 1 2 246.270 1.658 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(C2(O)CCC2)n1 ZINC000904269207 637395201 /nfs/dbraw/zinc/39/52/01/637395201.db2.gz XUESUYPMMQTQRC-UHFFFAOYSA-N 1 2 246.270 1.394 20 0 BDADLO CN(C)c1cc(/C=C/N2CCCC2=O)cc[nH+]1 ZINC000904849275 637507383 /nfs/dbraw/zinc/50/73/83/637507383.db2.gz KFXMWDTXTMPOMF-RMKNXTFCSA-N 1 2 231.299 1.741 20 0 BDADLO C[C@@](O)(C[NH2+][C@H]1CCCC1(F)F)C(F)F ZINC000905263370 637718103 /nfs/dbraw/zinc/71/81/03/637718103.db2.gz UUHGBXBTIAIQID-POYBYMJQSA-N 1 2 229.217 1.780 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCC2)c(C)[nH+]1 ZINC000905375827 637793855 /nfs/dbraw/zinc/79/38/55/637793855.db2.gz IUVSJJFIQNVMAB-UHFFFAOYSA-N 1 2 204.273 1.853 20 0 BDADLO C[C@H]1CC[N@H+](Cn2cccnc2=S)CCO1 ZINC000905742112 637905251 /nfs/dbraw/zinc/90/52/51/637905251.db2.gz YVZHHXFRTMKSAE-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2cccnc2=S)CCO1 ZINC000905742112 637905253 /nfs/dbraw/zinc/90/52/53/637905253.db2.gz YVZHHXFRTMKSAE-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000905778621 637907854 /nfs/dbraw/zinc/90/78/54/637907854.db2.gz KPTBRCYFQLONDP-BJDJZHNGSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)CCO)c(C)[nH+]1 ZINC000906038462 638028720 /nfs/dbraw/zinc/02/87/20/638028720.db2.gz GLQDSPBMNYFKLX-UHFFFAOYSA-N 1 2 222.288 1.071 20 0 BDADLO CC[C@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906043232 638032080 /nfs/dbraw/zinc/03/20/80/638032080.db2.gz NFPTZDXXNYSLTN-LLVKDONJSA-N 1 2 236.315 1.508 20 0 BDADLO Nc1ncc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC000906179960 638091413 /nfs/dbraw/zinc/09/14/13/638091413.db2.gz QDABCFCRNKPSBT-UHFFFAOYSA-N 1 2 227.271 1.122 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C2CC2)CCC1 ZINC000906197245 638115421 /nfs/dbraw/zinc/11/54/21/638115421.db2.gz ILRIWAJAHFVPKV-LLVKDONJSA-N 1 2 247.342 1.968 20 0 BDADLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[C@@H]1CCCO1 ZINC000906697617 638233375 /nfs/dbraw/zinc/23/33/75/638233375.db2.gz QDPBPTZNXWRELL-JQWIXIFHSA-N 1 2 249.314 1.082 20 0 BDADLO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](O)C2)c(C)[nH+]1 ZINC000907193365 638324151 /nfs/dbraw/zinc/32/41/51/638324151.db2.gz XYRKZFQLMZXETR-SKDRFNHKSA-N 1 2 248.326 1.460 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@H]12 ZINC000907301290 638345336 /nfs/dbraw/zinc/34/53/36/638345336.db2.gz WPUQEGWXISMGEC-RTXFEEFZSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCO[C@@H]1C1CC1 ZINC000907351270 638358366 /nfs/dbraw/zinc/35/83/66/638358366.db2.gz OGJIVTGFNSNYMS-OLZOCXBDSA-N 1 2 249.314 1.026 20 0 BDADLO CC(C)(CC(F)(F)F)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907599506 638418313 /nfs/dbraw/zinc/41/83/13/638418313.db2.gz MAKDVXRKSVUJNO-UHFFFAOYSA-N 1 2 249.236 1.799 20 0 BDADLO CO[C@H](C)[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000907642800 638431430 /nfs/dbraw/zinc/43/14/30/638431430.db2.gz AXSVLOPBDRDNJH-VHSXEESVSA-N 1 2 237.303 1.033 20 0 BDADLO CC(C)=CCNC(=O)CNc1cccc[nH+]1 ZINC000907689487 638447435 /nfs/dbraw/zinc/44/74/35/638447435.db2.gz UNSXUHQDIUOUAL-UHFFFAOYSA-N 1 2 219.288 1.576 20 0 BDADLO C[C@H]1CSCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907721291 638457769 /nfs/dbraw/zinc/45/77/69/638457769.db2.gz LLRIULMOGNJEJE-SECBINFHSA-N 1 2 239.344 1.164 20 0 BDADLO CC(C)c1ncc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000907925386 638514846 /nfs/dbraw/zinc/51/48/46/638514846.db2.gz UMLRTUMFSVIVRD-UHFFFAOYSA-N 1 2 245.286 1.504 20 0 BDADLO CCC[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCOC1 ZINC000908148161 638572228 /nfs/dbraw/zinc/57/22/28/638572228.db2.gz RGTRJEZWEASFPH-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908133461 638577725 /nfs/dbraw/zinc/57/77/25/638577725.db2.gz CAGNJHUHTGIPGO-VGANXODHSA-N 1 2 239.706 1.457 20 0 BDADLO C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)[C@H]1C ZINC000908431190 638709070 /nfs/dbraw/zinc/70/90/70/638709070.db2.gz ALIDGIQIVQXFDD-ZJUUUORDSA-N 1 2 219.288 1.360 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC2(CC2)C1 ZINC000908520241 638995722 /nfs/dbraw/zinc/99/57/22/638995722.db2.gz ZVDQFWWUUUCPJN-UHFFFAOYSA-N 1 2 217.272 1.116 20 0 BDADLO CCCc1ncc(CNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000909249270 639183809 /nfs/dbraw/zinc/18/38/09/639183809.db2.gz FMHDRAIUJSVZJO-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO COC[C@H]1CCC[N@H+](Cn2ccsc2=O)C1 ZINC000746620216 639296385 /nfs/dbraw/zinc/29/63/85/639296385.db2.gz NBJBGYSHZMQMOQ-JTQLQIEISA-N 1 2 242.344 1.226 20 0 BDADLO COC[C@H]1CCC[N@@H+](Cn2ccsc2=O)C1 ZINC000746620216 639296392 /nfs/dbraw/zinc/29/63/92/639296392.db2.gz NBJBGYSHZMQMOQ-JTQLQIEISA-N 1 2 242.344 1.226 20 0 BDADLO COC1([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000910464197 639458458 /nfs/dbraw/zinc/45/84/58/639458458.db2.gz ABFYZCQVNODCIP-SECBINFHSA-N 1 2 237.303 1.026 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000911289670 639613512 /nfs/dbraw/zinc/61/35/12/639613512.db2.gz APTQJPSPMQCTCY-WDEREUQCSA-N 1 2 219.288 1.257 20 0 BDADLO Nc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000930262434 639668785 /nfs/dbraw/zinc/66/87/85/639668785.db2.gz DZRXXERCTQISJX-LBPRGKRZSA-N 1 2 243.314 1.724 20 0 BDADLO Nc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000930262434 639668788 /nfs/dbraw/zinc/66/87/88/639668788.db2.gz DZRXXERCTQISJX-LBPRGKRZSA-N 1 2 243.314 1.724 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1noc2c1COCC2 ZINC000930274035 639676662 /nfs/dbraw/zinc/67/66/62/639676662.db2.gz UBFZCGWYRJZJMY-RKDXNWHRSA-N 1 2 222.288 1.730 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000911724941 639752598 /nfs/dbraw/zinc/75/25/98/639752598.db2.gz ZTHMANZZSFCYIQ-UHFFFAOYSA-N 1 2 225.368 1.288 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1nncs1 ZINC000930488935 639777664 /nfs/dbraw/zinc/77/76/64/639777664.db2.gz NEDNXDPMEKEFMY-QMMMGPOBSA-N 1 2 215.322 1.131 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1nncs1 ZINC000930488935 639777669 /nfs/dbraw/zinc/77/76/69/639777669.db2.gz NEDNXDPMEKEFMY-QMMMGPOBSA-N 1 2 215.322 1.131 20 0 BDADLO Cn1cnnc1C[N@H+](C)CCc1cccc(F)c1 ZINC000930493230 639782571 /nfs/dbraw/zinc/78/25/71/639782571.db2.gz NPAXNDWVJLQPMF-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CCc1cccc(F)c1 ZINC000930493230 639782578 /nfs/dbraw/zinc/78/25/78/639782578.db2.gz NPAXNDWVJLQPMF-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]CCOC1CC1 ZINC000930561562 639811524 /nfs/dbraw/zinc/81/15/24/639811524.db2.gz HBYCLISPGOZDRO-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@H+](C)Cc1c(F)cccc1F ZINC000930580845 639813619 /nfs/dbraw/zinc/81/36/19/639813619.db2.gz MDVWHEVUFRWUEP-UFBFGSQYSA-N 1 2 245.269 1.138 20 0 BDADLO C[C@H](O)[C@@H](O)C[N@@H+](C)Cc1c(F)cccc1F ZINC000930580845 639813620 /nfs/dbraw/zinc/81/36/20/639813620.db2.gz MDVWHEVUFRWUEP-UFBFGSQYSA-N 1 2 245.269 1.138 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OC ZINC000930641517 639840151 /nfs/dbraw/zinc/84/01/51/639840151.db2.gz QUSCESYRIGLTCZ-KKOKHZNYSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930695896 639864436 /nfs/dbraw/zinc/86/44/36/639864436.db2.gz CBMPOEKTQZHVFY-SNVBAGLBSA-N 1 2 241.360 1.929 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930695896 639864439 /nfs/dbraw/zinc/86/44/39/639864439.db2.gz CBMPOEKTQZHVFY-SNVBAGLBSA-N 1 2 241.360 1.929 20 0 BDADLO OC[C@@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000930811517 639914198 /nfs/dbraw/zinc/91/41/98/639914198.db2.gz XCSMABYIMIFNAW-QMMMGPOBSA-N 1 2 247.747 1.113 20 0 BDADLO OC[C@@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000930811517 639914203 /nfs/dbraw/zinc/91/42/03/639914203.db2.gz XCSMABYIMIFNAW-QMMMGPOBSA-N 1 2 247.747 1.113 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)c1ccsc1 ZINC000912010541 639925037 /nfs/dbraw/zinc/92/50/37/639925037.db2.gz PMTSYGKABKDHEC-UHFFFAOYSA-N 1 2 235.312 1.687 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CN(C)C(=O)[C@H]2C)c1 ZINC000930826917 639927559 /nfs/dbraw/zinc/92/75/59/639927559.db2.gz UOYJJKKMAAWCAR-LLVKDONJSA-N 1 2 233.315 1.318 20 0 BDADLO CC(C)c1nsc(C[N@H+](C)[C@H](C)CCO)n1 ZINC000930861991 639952658 /nfs/dbraw/zinc/95/26/58/639952658.db2.gz GGICCTNSDYGSNC-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO CC(C)c1nsc(C[N@@H+](C)[C@H](C)CCO)n1 ZINC000930861991 639952660 /nfs/dbraw/zinc/95/26/60/639952660.db2.gz GGICCTNSDYGSNC-SECBINFHSA-N 1 2 243.376 1.864 20 0 BDADLO C[C@H](O)CCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930874438 639965247 /nfs/dbraw/zinc/96/52/47/639965247.db2.gz PVDSFDAQMVATCE-JOYOIKCWSA-N 1 2 229.320 1.221 20 0 BDADLO CCOCCC[NH2+][C@@]1(C)CC(C)(C)OC1=O ZINC000930874414 639965605 /nfs/dbraw/zinc/96/56/05/639965605.db2.gz KRLKXERXPPNHFK-LBPRGKRZSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@H]1CCCCN1NC(=O)CCc1c[nH]c[nH+]1 ZINC000912144147 639967588 /nfs/dbraw/zinc/96/75/88/639967588.db2.gz JNDLQYVYXXILGH-JTQLQIEISA-N 1 2 236.319 1.248 20 0 BDADLO C[C@H]1CCCCN1NC(=O)CCc1c[nH+]c[nH]1 ZINC000912144147 639967596 /nfs/dbraw/zinc/96/75/96/639967596.db2.gz JNDLQYVYXXILGH-JTQLQIEISA-N 1 2 236.319 1.248 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NN1CCCC[C@@H]1C ZINC000912144764 639970535 /nfs/dbraw/zinc/97/05/35/639970535.db2.gz JIGXUXVXMJVTKI-VIFPVBQESA-N 1 2 236.319 1.166 20 0 BDADLO C[C@H]1CCCCN1NC(=O)CCn1cc[nH+]c1 ZINC000912147868 639973761 /nfs/dbraw/zinc/97/37/61/639973761.db2.gz JVHYUCWVYXEJNI-NSHDSACASA-N 1 2 236.319 1.179 20 0 BDADLO CN(Cc1ccns1)C(=O)Cc1[nH]cc[nH+]1 ZINC000912337447 640034231 /nfs/dbraw/zinc/03/42/31/640034231.db2.gz FEQXXQFSTMEVBG-UHFFFAOYSA-N 1 2 236.300 1.067 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)s1 ZINC000931060573 640048576 /nfs/dbraw/zinc/04/85/76/640048576.db2.gz WBQATPKTGHTNAS-BDAKNGLRSA-N 1 2 225.317 1.006 20 0 BDADLO c1nnc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)s1 ZINC000931060573 640048582 /nfs/dbraw/zinc/04/85/82/640048582.db2.gz WBQATPKTGHTNAS-BDAKNGLRSA-N 1 2 225.317 1.006 20 0 BDADLO CC(C)(F)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000912465363 640072580 /nfs/dbraw/zinc/07/25/80/640072580.db2.gz AFLHENPTQUGLRA-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO C[N@H+](Cc1c(F)cncc1F)CC1(C)COC1 ZINC000931173488 640090052 /nfs/dbraw/zinc/09/00/52/640090052.db2.gz QUEIWNODOWAWEY-UHFFFAOYSA-N 1 2 242.269 1.828 20 0 BDADLO C[N@@H+](Cc1c(F)cncc1F)CC1(C)COC1 ZINC000931173488 640090059 /nfs/dbraw/zinc/09/00/59/640090059.db2.gz QUEIWNODOWAWEY-UHFFFAOYSA-N 1 2 242.269 1.828 20 0 BDADLO CCC/C=C/[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912585303 640120741 /nfs/dbraw/zinc/12/07/41/640120741.db2.gz RMHUQKCGXNKCEL-PRANIUCASA-N 1 2 249.314 1.161 20 0 BDADLO CC(C)(CNC(=O)/C=C/C1CC1)n1cc[nH+]c1 ZINC000912615661 640140654 /nfs/dbraw/zinc/14/06/54/640140654.db2.gz OWYRPMFMJADSNQ-AATRIKPKSA-N 1 2 233.315 1.701 20 0 BDADLO c1coc(C2CC[NH+](Cc3cc[nH]n3)CC2)n1 ZINC000931444214 640210359 /nfs/dbraw/zinc/21/03/59/640210359.db2.gz NLUVLLWQIFTVON-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO CC[C@]1(O)CCC[N@H+](Cc2nncs2)C1 ZINC000931474706 640231643 /nfs/dbraw/zinc/23/16/43/640231643.db2.gz HUPPCUPCFSOQJL-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CC[C@]1(O)CCC[N@@H+](Cc2nncs2)C1 ZINC000931474706 640231651 /nfs/dbraw/zinc/23/16/51/640231651.db2.gz HUPPCUPCFSOQJL-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC=CC12CCCC2 ZINC000913194996 640326054 /nfs/dbraw/zinc/32/60/54/640326054.db2.gz OVEJFRYKLPIBJG-UHFFFAOYSA-N 1 2 231.299 1.663 20 0 BDADLO CC(C)OCc1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000931709036 640329211 /nfs/dbraw/zinc/32/92/11/640329211.db2.gz DORIWSBEZZMKGU-AOOOYVTPSA-N 1 2 237.303 1.446 20 0 BDADLO CC(C)OCc1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000931709036 640329218 /nfs/dbraw/zinc/32/92/18/640329218.db2.gz DORIWSBEZZMKGU-AOOOYVTPSA-N 1 2 237.303 1.446 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@H]1CCCC12CC2 ZINC000913426594 640368179 /nfs/dbraw/zinc/36/81/79/640368179.db2.gz WKIBTRKBVOYKTA-LLVKDONJSA-N 1 2 245.326 1.942 20 0 BDADLO C/C=C/C=C/C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441907 640370948 /nfs/dbraw/zinc/37/09/48/640370948.db2.gz VAKHZCAPSUPFTR-JXVRCYGRSA-N 1 2 246.314 1.015 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931921531 640390099 /nfs/dbraw/zinc/39/00/99/640390099.db2.gz HJMROLVWILRLNF-GXTWGEPZSA-N 1 2 231.295 1.433 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931921531 640390107 /nfs/dbraw/zinc/39/01/07/640390107.db2.gz HJMROLVWILRLNF-GXTWGEPZSA-N 1 2 231.295 1.433 20 0 BDADLO C[N@@H+]1CCC[C@@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000044539396 640398616 /nfs/dbraw/zinc/39/86/16/640398616.db2.gz FRBVWPVVUANPTG-JTQLQIEISA-N 1 2 249.314 1.534 20 0 BDADLO C[N@H+]1CCC[C@@H](CNc2[nH+]cccc2C(=O)[O-])C1 ZINC000044539396 640398622 /nfs/dbraw/zinc/39/86/22/640398622.db2.gz FRBVWPVVUANPTG-JTQLQIEISA-N 1 2 249.314 1.534 20 0 BDADLO COc1ccc(C[NH2+]Cc2c[nH]cn2)cc1OC ZINC000054763497 640403840 /nfs/dbraw/zinc/40/38/40/640403840.db2.gz KVJZZSVQGLEMGP-UHFFFAOYSA-N 1 2 247.298 1.717 20 0 BDADLO c1ncc(C[NH2+]Cc2cccc3c2OCO3)[nH]1 ZINC000054765165 640409148 /nfs/dbraw/zinc/40/91/48/640409148.db2.gz STZUIJIGGZQNBI-UHFFFAOYSA-N 1 2 231.255 1.428 20 0 BDADLO CC(C)(C)NC(=S)NCCn1cc[nH+]c1 ZINC000054924259 640419028 /nfs/dbraw/zinc/41/90/28/640419028.db2.gz PJCBGCPFSAWNHM-UHFFFAOYSA-N 1 2 226.349 1.146 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@H]2c2ccnn2C)c1 ZINC000932266438 640465158 /nfs/dbraw/zinc/46/51/58/640465158.db2.gz YNSWNXKKDBCUOD-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@H]2c2ccnn2C)c1 ZINC000932266438 640465165 /nfs/dbraw/zinc/46/51/65/640465165.db2.gz YNSWNXKKDBCUOD-ZDUSSCGKSA-N 1 2 245.330 1.491 20 0 BDADLO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000164703354 640501131 /nfs/dbraw/zinc/50/11/31/640501131.db2.gz BCKWJOXSVXKPTB-GUBZILKMSA-N 1 2 231.336 1.466 20 0 BDADLO COC(C)(C)[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000932370497 640501140 /nfs/dbraw/zinc/50/11/40/640501140.db2.gz SUUXBORPVAYVPT-QMMMGPOBSA-N 1 2 239.319 1.850 20 0 BDADLO CC(=O)NC1C[NH+](CCOc2cccc(C)c2)C1 ZINC001030039998 640534101 /nfs/dbraw/zinc/53/41/01/640534101.db2.gz NKNXFPWACAOLSA-UHFFFAOYSA-N 1 2 248.326 1.194 20 0 BDADLO C[C@H]1COC[C@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000932489846 640554763 /nfs/dbraw/zinc/55/47/63/640554763.db2.gz SQTIUSWKROZBRC-WCBMZHEXSA-N 1 2 237.303 1.462 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccc(C)s2)C1 ZINC001030059469 640556507 /nfs/dbraw/zinc/55/65/07/640556507.db2.gz OFUCVHZBJRXLLU-UHFFFAOYSA-N 1 2 238.356 1.881 20 0 BDADLO C[C@H]1COC[C@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000932496045 640557447 /nfs/dbraw/zinc/55/74/47/640557447.db2.gz ABYJWRZDOSJVCF-DTWKUNHWSA-N 1 2 239.319 1.492 20 0 BDADLO CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001030062294 640562657 /nfs/dbraw/zinc/56/26/57/640562657.db2.gz BKXJZRUIDMWDQF-NSHDSACASA-N 1 2 248.326 1.136 20 0 BDADLO CC[C@](C)(O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000932611701 640585869 /nfs/dbraw/zinc/58/58/69/640585869.db2.gz AGCKRDDNLYJMIS-LBPRGKRZSA-N 1 2 233.271 1.434 20 0 BDADLO Cn1ncnc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630357 640590824 /nfs/dbraw/zinc/59/08/24/640590824.db2.gz IPDLCOSIUSFQBV-UHFFFAOYSA-N 1 2 238.310 1.529 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CC=CCC1 ZINC001030096329 640590971 /nfs/dbraw/zinc/59/09/71/640590971.db2.gz SBTGCFCAHSKAMX-LLVKDONJSA-N 1 2 240.322 1.503 20 0 BDADLO CC(C)C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030115246 640605140 /nfs/dbraw/zinc/60/51/40/640605140.db2.gz UUPWTIAWQZHGDR-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO OC1(C2CCC2)CC[NH+](Cc2ncccn2)CC1 ZINC000932815771 640613078 /nfs/dbraw/zinc/61/30/78/640613078.db2.gz WZBFYXIBIKFVOV-UHFFFAOYSA-N 1 2 247.342 1.604 20 0 BDADLO CCO[C@H]1CC[N@H+](CC(=O)OCC(C)C)C1 ZINC000932969534 640655708 /nfs/dbraw/zinc/65/57/08/640655708.db2.gz KLEFDUZBJITZJE-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CCO[C@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000932969534 640655709 /nfs/dbraw/zinc/65/57/09/640655709.db2.gz KLEFDUZBJITZJE-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933203320 640680306 /nfs/dbraw/zinc/68/03/06/640680306.db2.gz PATGEQLOMGUQQF-CYBMUJFWSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933203320 640680314 /nfs/dbraw/zinc/68/03/14/640680314.db2.gz PATGEQLOMGUQQF-CYBMUJFWSA-N 1 2 247.342 1.786 20 0 BDADLO CCn1c[nH+]c2c1CCN(CCC(C)=O)C2 ZINC000933257585 640692685 /nfs/dbraw/zinc/69/26/85/640692685.db2.gz ZHPIAGGLXHVLKL-UHFFFAOYSA-N 1 2 221.304 1.240 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)Cc2ccoc2)C1 ZINC001030244262 640704627 /nfs/dbraw/zinc/70/46/27/640704627.db2.gz MOFJSEIKQZSWEQ-UHFFFAOYSA-N 1 2 248.326 1.589 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1cccc(=O)[nH]1 ZINC000933398723 640714565 /nfs/dbraw/zinc/71/45/65/640714565.db2.gz GHZZGDUHSWRVTG-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1cccc(=O)[nH]1 ZINC000933398723 640714568 /nfs/dbraw/zinc/71/45/68/640714568.db2.gz GHZZGDUHSWRVTG-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO CC1(C)CC(C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030273765 640722438 /nfs/dbraw/zinc/72/24/38/640722438.db2.gz PGFGHPAMUPYPDQ-UHFFFAOYSA-N 1 2 242.338 1.583 20 0 BDADLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@](C)(O)C2)o1 ZINC000226211531 640738697 /nfs/dbraw/zinc/73/86/97/640738697.db2.gz XOUREAJWFOFOMB-LBPRGKRZSA-N 1 2 239.319 1.324 20 0 BDADLO CC(C)(C)c1nnc(C[N@H+]2CC[C@](C)(O)C2)o1 ZINC000226211531 640738701 /nfs/dbraw/zinc/73/87/01/640738701.db2.gz XOUREAJWFOFOMB-LBPRGKRZSA-N 1 2 239.319 1.324 20 0 BDADLO CC[N@H+](CCC(=O)NC)CC(F)(F)CC ZINC000933859763 640772440 /nfs/dbraw/zinc/77/24/40/640772440.db2.gz PDQHWPUWRBYHDM-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CC[N@@H+](CCC(=O)NC)CC(F)(F)CC ZINC000933859763 640772444 /nfs/dbraw/zinc/77/24/44/640772444.db2.gz PDQHWPUWRBYHDM-UHFFFAOYSA-N 1 2 222.279 1.490 20 0 BDADLO CC[NH+]1CCN(C(=O)C(F)(F)C(F)F)CC1 ZINC000226595663 640776227 /nfs/dbraw/zinc/77/62/27/640776227.db2.gz VDGYJTQEIKFZJK-UHFFFAOYSA-N 1 2 242.216 1.051 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ncc(C)o1 ZINC000934104684 640812275 /nfs/dbraw/zinc/81/22/75/640812275.db2.gz KZUOPMXLKHKSPM-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ncc(C)o1 ZINC000934104684 640812279 /nfs/dbraw/zinc/81/22/79/640812279.db2.gz KZUOPMXLKHKSPM-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(COC)c2)C1 ZINC001030626318 640992536 /nfs/dbraw/zinc/99/25/36/640992536.db2.gz CKQBYLAOSGMZSP-UHFFFAOYSA-N 1 2 248.326 1.267 20 0 BDADLO CCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000087805776 641050389 /nfs/dbraw/zinc/05/03/89/641050389.db2.gz WGLMBJAMWHOVPV-UHFFFAOYSA-N 1 2 222.292 1.135 20 0 BDADLO CCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000087805776 641050396 /nfs/dbraw/zinc/05/03/96/641050396.db2.gz WGLMBJAMWHOVPV-UHFFFAOYSA-N 1 2 222.292 1.135 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(C)on1 ZINC000934106495 641071904 /nfs/dbraw/zinc/07/19/04/641071904.db2.gz ISCBATGRGVWRSI-QWRGUYRKSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C)on1 ZINC000934106495 641071907 /nfs/dbraw/zinc/07/19/07/641071907.db2.gz ISCBATGRGVWRSI-QWRGUYRKSA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ncccn1 ZINC000934110374 641072657 /nfs/dbraw/zinc/07/26/57/641072657.db2.gz ZHLIHLAESRYEPF-ZJUUUORDSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ncccn1 ZINC000934110374 641072659 /nfs/dbraw/zinc/07/26/59/641072659.db2.gz ZHLIHLAESRYEPF-ZJUUUORDSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ncccn1 ZINC000934110370 641074127 /nfs/dbraw/zinc/07/41/27/641074127.db2.gz ZHLIHLAESRYEPF-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ncccn1 ZINC000934110370 641074135 /nfs/dbraw/zinc/07/41/35/641074135.db2.gz ZHLIHLAESRYEPF-NXEZZACHSA-N 1 2 207.277 1.086 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nccs1 ZINC000934117200 641081160 /nfs/dbraw/zinc/08/11/60/641081160.db2.gz ZNWZSYBPDSWZSU-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nccs1 ZINC000934117200 641081155 /nfs/dbraw/zinc/08/11/55/641081155.db2.gz ZNWZSYBPDSWZSU-RKDXNWHRSA-N 1 2 212.318 1.752 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ncc(C)cn1 ZINC000934116460 641084510 /nfs/dbraw/zinc/08/45/10/641084510.db2.gz WDRVWVSMSAQEOY-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ncc(C)cn1 ZINC000934116460 641084515 /nfs/dbraw/zinc/08/45/15/641084515.db2.gz WDRVWVSMSAQEOY-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000934128879 641089422 /nfs/dbraw/zinc/08/94/22/641089422.db2.gz ZGXXTWZKAPYPJF-FXBDTBDDSA-N 1 2 225.292 1.548 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000934128879 641089429 /nfs/dbraw/zinc/08/94/29/641089429.db2.gz ZGXXTWZKAPYPJF-FXBDTBDDSA-N 1 2 225.292 1.548 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001030665063 641103679 /nfs/dbraw/zinc/10/36/79/641103679.db2.gz VAMNRLCAMJRALJ-GHMZBOCLSA-N 1 2 224.348 1.489 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H]1C ZINC000172831678 641114473 /nfs/dbraw/zinc/11/44/73/641114473.db2.gz NMCWORJCSRFKMQ-VHSXEESVSA-N 1 2 231.361 1.765 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCSC[C@@H]1C ZINC000172831678 641114476 /nfs/dbraw/zinc/11/44/76/641114476.db2.gz NMCWORJCSRFKMQ-VHSXEESVSA-N 1 2 231.361 1.765 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231276911 641150663 /nfs/dbraw/zinc/15/06/63/641150663.db2.gz ZKTWXMXCULAJPP-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231276911 641150666 /nfs/dbraw/zinc/15/06/66/641150666.db2.gz ZKTWXMXCULAJPP-SECBINFHSA-N 1 2 241.722 1.334 20 0 BDADLO COc1ccc2c(c1)C[C@@H](Cn1cc[nH+]c1)O2 ZINC000199419067 641151811 /nfs/dbraw/zinc/15/18/11/641151811.db2.gz IKIZSYSXAYTDOC-LBPRGKRZSA-N 1 2 230.267 1.895 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231284713 641154010 /nfs/dbraw/zinc/15/40/10/641154010.db2.gz DLQVVZHCUBLTOP-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231284713 641154014 /nfs/dbraw/zinc/15/40/14/641154014.db2.gz DLQVVZHCUBLTOP-NSHDSACASA-N 1 2 241.722 1.477 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1cnc(N)cn1 ZINC000231295572 641158501 /nfs/dbraw/zinc/15/85/01/641158501.db2.gz CBBRIGYDVYGWBO-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1cnc(N)cn1 ZINC000231295572 641158505 /nfs/dbraw/zinc/15/85/05/641158505.db2.gz CBBRIGYDVYGWBO-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc(N)cn1 ZINC000231298192 641158516 /nfs/dbraw/zinc/15/85/16/641158516.db2.gz PZFMATHCRRCTPX-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnc(N)cn1 ZINC000231298192 641158521 /nfs/dbraw/zinc/15/85/21/641158521.db2.gz PZFMATHCRRCTPX-ONGXEEELSA-N 1 2 236.319 1.058 20 0 BDADLO CCC[C@@H]1CC(=O)N(C[NH+]2CCSCC2)C1 ZINC000173309956 641169186 /nfs/dbraw/zinc/16/91/86/641169186.db2.gz WKWROTGYEOJCGU-LLVKDONJSA-N 1 2 242.388 1.641 20 0 BDADLO O[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C[C@@H]1F ZINC000934567750 641199609 /nfs/dbraw/zinc/19/96/09/641199609.db2.gz RMVIHEVUEZIYRO-JGVFFNPUSA-N 1 2 245.216 1.318 20 0 BDADLO O[C@@H]1CC[N@H+](CCCOC(F)(F)F)C[C@@H]1F ZINC000934567750 641199605 /nfs/dbraw/zinc/19/96/05/641199605.db2.gz RMVIHEVUEZIYRO-JGVFFNPUSA-N 1 2 245.216 1.318 20 0 BDADLO C[C@H](Cc1cccc(F)c1)[NH2+]CC(F)(F)CO ZINC000231793196 641200070 /nfs/dbraw/zinc/20/00/70/641200070.db2.gz KWRRRUUHLTWTNX-SECBINFHSA-N 1 2 247.260 1.974 20 0 BDADLO O[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C[C@H]1F ZINC000934567748 641202094 /nfs/dbraw/zinc/20/20/94/641202094.db2.gz RMVIHEVUEZIYRO-HTQZYQBOSA-N 1 2 245.216 1.318 20 0 BDADLO O[C@@H]1CC[N@H+](CCCOC(F)(F)F)C[C@H]1F ZINC000934567748 641202084 /nfs/dbraw/zinc/20/20/84/641202084.db2.gz RMVIHEVUEZIYRO-HTQZYQBOSA-N 1 2 245.216 1.318 20 0 BDADLO C[C@]12CSC[C@H]1C[N@H+](Cc1nncs1)C2 ZINC000934769194 641264646 /nfs/dbraw/zinc/26/46/46/641264646.db2.gz LKBOPVCBNIEMQG-SCZZXKLOSA-N 1 2 241.385 1.723 20 0 BDADLO C[C@]12CSC[C@H]1C[N@@H+](Cc1nncs1)C2 ZINC000934769194 641264647 /nfs/dbraw/zinc/26/46/47/641264647.db2.gz LKBOPVCBNIEMQG-SCZZXKLOSA-N 1 2 241.385 1.723 20 0 BDADLO CC[C@H](O)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934848721 641286625 /nfs/dbraw/zinc/28/66/25/641286625.db2.gz MYORWTWDMPQFMW-JTQLQIEISA-N 1 2 247.298 1.454 20 0 BDADLO Cn1c[nH+]cc1Cc1nc([C@]2(C)CCCO2)no1 ZINC000350413616 641323927 /nfs/dbraw/zinc/32/39/27/641323927.db2.gz KPTYPFUCMCTSPC-LBPRGKRZSA-N 1 2 248.286 1.420 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cocc2C)C1 ZINC001030801025 641359456 /nfs/dbraw/zinc/35/94/56/641359456.db2.gz UICRDHUFAUQKQF-UHFFFAOYSA-N 1 2 208.261 1.022 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001030818554 641367855 /nfs/dbraw/zinc/36/78/55/641367855.db2.gz WRAOGMYXKJICAX-ITGUQSILSA-N 1 2 248.370 1.799 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001030819178 641368160 /nfs/dbraw/zinc/36/81/60/641368160.db2.gz WFYZIKQOVANWRN-UHFFFAOYSA-N 1 2 235.331 1.572 20 0 BDADLO COC1(c2noc([C@H](C)[NH+](C)C)n2)CCC1 ZINC000350596912 641372767 /nfs/dbraw/zinc/37/27/67/641372767.db2.gz OTVLGMNOUDQPCI-QMMMGPOBSA-N 1 2 225.292 1.718 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001030871205 641392916 /nfs/dbraw/zinc/39/29/16/641392916.db2.gz AJBFTTXJDPGTNZ-PWSUYJOCSA-N 1 2 240.347 1.012 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)Cc1ccon1 ZINC000929696008 641403045 /nfs/dbraw/zinc/40/30/45/641403045.db2.gz JLPOPCYITIZPCY-GXSJLCMTSA-N 1 2 238.287 1.306 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccon1 ZINC000929696008 641403046 /nfs/dbraw/zinc/40/30/46/641403046.db2.gz JLPOPCYITIZPCY-GXSJLCMTSA-N 1 2 238.287 1.306 20 0 BDADLO CC1(C(=O)NC2C[NH+](CCCF)C2)CC=CC1 ZINC001030900419 641410235 /nfs/dbraw/zinc/41/02/35/641410235.db2.gz BLDUYYOGQUWYQR-UHFFFAOYSA-N 1 2 240.322 1.503 20 0 BDADLO C[C@@]1(c2noc(CCn3cc[nH+]c3)n2)CCCO1 ZINC000350754395 641411091 /nfs/dbraw/zinc/41/10/91/641411091.db2.gz RRWSXPIALFBANA-LBPRGKRZSA-N 1 2 248.286 1.534 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@]2(C)CCC[C@H]2C)C1 ZINC001030905218 641414482 /nfs/dbraw/zinc/41/44/82/641414482.db2.gz GDXFOGLAKDVUJK-ZWNOBZJWSA-N 1 2 224.348 1.633 20 0 BDADLO CC[NH+]1CC(NC(=O)C2CCC(F)CC2)C1 ZINC001030905301 641414573 /nfs/dbraw/zinc/41/45/73/641414573.db2.gz IPVPIMSRBKTVIV-UHFFFAOYSA-N 1 2 228.311 1.335 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC=CC1 ZINC000935487921 641417661 /nfs/dbraw/zinc/41/76/61/641417661.db2.gz JXSHZZXJSGWNAA-NSHDSACASA-N 1 2 245.326 1.670 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)C=CCC1 ZINC000936024100 641520385 /nfs/dbraw/zinc/52/03/85/641520385.db2.gz FHFLMPXEBPYXJP-GFCCVEGCSA-N 1 2 219.288 1.393 20 0 BDADLO CCC[N@H+](CCO)Cc1nnc(C(C)(C)C)o1 ZINC000047496492 641650159 /nfs/dbraw/zinc/65/01/59/641650159.db2.gz HYGYSXYUXSAHOL-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CCC[N@@H+](CCO)Cc1nnc(C(C)(C)C)o1 ZINC000047496492 641650162 /nfs/dbraw/zinc/65/01/62/641650162.db2.gz HYGYSXYUXSAHOL-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](CC)CO)C(=O)OCC ZINC000216249447 641711214 /nfs/dbraw/zinc/71/12/14/641711214.db2.gz AUROBELOXHBKAE-VHSXEESVSA-N 1 2 217.309 1.079 20 0 BDADLO COC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000914849804 641772718 /nfs/dbraw/zinc/77/27/18/641772718.db2.gz ZIGNUWMXIBFMKG-UHFFFAOYSA-N 1 2 245.282 1.787 20 0 BDADLO CC(C)[NH+]1CCN(C(=O)c2ccns2)CC1 ZINC000948596152 641815772 /nfs/dbraw/zinc/81/57/72/641815772.db2.gz PFQIEVZAACXQNO-UHFFFAOYSA-N 1 2 239.344 1.309 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ncccc2Cl)C1 ZINC001031283597 641872055 /nfs/dbraw/zinc/87/20/55/641872055.db2.gz BZICXHTVHFPJMZ-UHFFFAOYSA-N 1 2 239.706 1.169 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001031307582 641883721 /nfs/dbraw/zinc/88/37/21/641883721.db2.gz YODREGJWAGYXFD-UHFFFAOYSA-N 1 2 247.342 1.187 20 0 BDADLO Cc1cc(N)nc(SC[C@](C)(O)C(F)F)[nH+]1 ZINC000916177950 641914788 /nfs/dbraw/zinc/91/47/88/641914788.db2.gz WVOFOHRCZMTANS-VIFPVBQESA-N 1 2 249.286 1.475 20 0 BDADLO COC[C@H](C)C[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000192006660 641956541 /nfs/dbraw/zinc/95/65/41/641956541.db2.gz WDMMQKUGAKMBMM-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001031467999 642181760 /nfs/dbraw/zinc/18/17/60/642181760.db2.gz JIJKECXICDMJIC-NWDGAFQWSA-N 1 2 240.347 1.012 20 0 BDADLO COC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000918577769 642228975 /nfs/dbraw/zinc/22/89/75/642228975.db2.gz RGNJJRHZQZEKJV-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C=C1CCCC1 ZINC000918584257 642230996 /nfs/dbraw/zinc/23/09/96/642230996.db2.gz KELVXNZXYCWMBS-NSHDSACASA-N 1 2 233.315 1.888 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CC=CCC1 ZINC001031545715 642292347 /nfs/dbraw/zinc/29/23/47/642292347.db2.gz SNFIZHJEAPIOFC-LBPRGKRZSA-N 1 2 240.322 1.360 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc[nH]n2)[C@H](C)C1 ZINC000933169239 642372455 /nfs/dbraw/zinc/37/24/55/642372455.db2.gz BXGSFSKAWMACGG-NXEZZACHSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc[nH]n2)[C@H](C)C1 ZINC000933169239 642372459 /nfs/dbraw/zinc/37/24/59/642372459.db2.gz BXGSFSKAWMACGG-NXEZZACHSA-N 1 2 237.303 1.183 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933205166 642389324 /nfs/dbraw/zinc/38/93/24/642389324.db2.gz XHCIEVPFUYWHSM-LBPRGKRZSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933205166 642389327 /nfs/dbraw/zinc/38/93/27/642389327.db2.gz XHCIEVPFUYWHSM-LBPRGKRZSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H]2CC2CC2)cn1 ZINC000933211315 642390952 /nfs/dbraw/zinc/39/09/52/642390952.db2.gz BLABJQNQEKKWAC-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H]2CC2CC2)cn1 ZINC000933211315 642390954 /nfs/dbraw/zinc/39/09/54/642390954.db2.gz BLABJQNQEKKWAC-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933217933 642397157 /nfs/dbraw/zinc/39/71/57/642397157.db2.gz HYLYPIMXICIKRO-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933217933 642397161 /nfs/dbraw/zinc/39/71/61/642397161.db2.gz HYLYPIMXICIKRO-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CCc1c[nH]c2nc[nH+]c(SCCO)c12 ZINC000891400319 642471464 /nfs/dbraw/zinc/47/14/64/642471464.db2.gz QHTFZHYCNBNMLI-UHFFFAOYSA-N 1 2 223.301 1.605 20 0 BDADLO CSCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000308196832 642490347 /nfs/dbraw/zinc/49/03/47/642490347.db2.gz TWDNCTDKFMPNJW-ZETCQYMHSA-N 1 2 211.277 1.315 20 0 BDADLO CSCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000308196832 642490351 /nfs/dbraw/zinc/49/03/51/642490351.db2.gz TWDNCTDKFMPNJW-ZETCQYMHSA-N 1 2 211.277 1.315 20 0 BDADLO FC(F)(F)Cc1noc(Cn2cc[nH+]c2)n1 ZINC000072558635 642494803 /nfs/dbraw/zinc/49/48/03/642494803.db2.gz BPNKFKRLTPTHNK-UHFFFAOYSA-N 1 2 232.165 1.419 20 0 BDADLO CC[C@H](CO)[NH2+]CC(F)(F)C(F)F ZINC000308206390 642507559 /nfs/dbraw/zinc/50/75/59/642507559.db2.gz IGJCFJQEUISQGO-RXMQYKEDSA-N 1 2 203.179 1.247 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000921066349 642574315 /nfs/dbraw/zinc/57/43/15/642574315.db2.gz KALLEIWAPHCFIG-CYBMUJFWSA-N 1 2 249.289 1.680 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCCC(C)=O ZINC000175466049 642685195 /nfs/dbraw/zinc/68/51/95/642685195.db2.gz GCWVYAVDXUCJGK-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCCCC(C)=O ZINC000175466049 642685198 /nfs/dbraw/zinc/68/51/98/642685198.db2.gz GCWVYAVDXUCJGK-GFCCVEGCSA-N 1 2 241.331 1.773 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)c1ccoc1 ZINC001010191556 642853859 /nfs/dbraw/zinc/85/38/59/642853859.db2.gz BJVHBTUDULMVLL-SNVBAGLBSA-N 1 2 226.251 1.053 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)c1ccoc1 ZINC001010191556 642853862 /nfs/dbraw/zinc/85/38/62/642853862.db2.gz BJVHBTUDULMVLL-SNVBAGLBSA-N 1 2 226.251 1.053 20 0 BDADLO OC[C@@H](CC(F)F)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353590444 642880193 /nfs/dbraw/zinc/88/01/93/642880193.db2.gz UFHGKTXWXBIZRL-APPZFPTMSA-N 1 2 245.273 1.393 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)c1 ZINC001015583880 642911373 /nfs/dbraw/zinc/91/13/73/642911373.db2.gz KMKQHMFJXPNPOJ-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC001015583880 642911381 /nfs/dbraw/zinc/91/13/81/642911381.db2.gz KMKQHMFJXPNPOJ-SNVBAGLBSA-N 1 2 240.278 1.362 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070359975 643018317 /nfs/dbraw/zinc/01/83/17/643018317.db2.gz YCABWPRHJHEJQD-TUAOUCFPSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cocc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031903892 643024190 /nfs/dbraw/zinc/02/41/90/643024190.db2.gz RBFFWDJQNGOZKV-UHFFFAOYSA-N 1 2 240.278 1.219 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)C[C@H]1C ZINC000941691112 643117114 /nfs/dbraw/zinc/11/71/14/643117114.db2.gz RSYBVSQABBAKDY-BXKDBHETSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)C[C@H]1C ZINC000941691112 643117117 /nfs/dbraw/zinc/11/71/17/643117117.db2.gz RSYBVSQABBAKDY-BXKDBHETSA-N 1 2 237.303 1.021 20 0 BDADLO C[C@@H](NC(=O)c1ccoc1)C1C[NH+](CCF)C1 ZINC000969301466 643134441 /nfs/dbraw/zinc/13/44/41/643134441.db2.gz HMCHRCZXSQYDKG-SECBINFHSA-N 1 2 240.278 1.299 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932340439 643148588 /nfs/dbraw/zinc/14/85/88/643148588.db2.gz DSIKWNYABWIAGY-VHSXEESVSA-N 1 2 236.319 1.231 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CCO[C@@H](C)CC1 ZINC000932340439 643148597 /nfs/dbraw/zinc/14/85/97/643148597.db2.gz DSIKWNYABWIAGY-VHSXEESVSA-N 1 2 236.319 1.231 20 0 BDADLO O=C1C[N@H+](Cc2ccoc2)[C@H]2CCCC[C@@H]2N1 ZINC000092703434 643163590 /nfs/dbraw/zinc/16/35/90/643163590.db2.gz AQOYYKKDTGFWIT-RYUDHWBXSA-N 1 2 234.299 1.523 20 0 BDADLO O=C1C[N@@H+](Cc2ccoc2)[C@H]2CCCC[C@@H]2N1 ZINC000092703434 643163594 /nfs/dbraw/zinc/16/35/94/643163594.db2.gz AQOYYKKDTGFWIT-RYUDHWBXSA-N 1 2 234.299 1.523 20 0 BDADLO COC(C[NH2+][C@@H](C)c1cscn1)OC ZINC000229124126 643256613 /nfs/dbraw/zinc/25/66/13/643256613.db2.gz QWKSLQGXFJHNLM-ZETCQYMHSA-N 1 2 216.306 1.413 20 0 BDADLO CCc1cc(CNc2cc[nH+]c(N(C)C)n2)n[nH]1 ZINC000077223941 643265645 /nfs/dbraw/zinc/26/56/45/643265645.db2.gz RNKHJYFBOXGKRH-UHFFFAOYSA-N 1 2 246.318 1.440 20 0 BDADLO OC[C@@]1(O)CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000307371230 643455638 /nfs/dbraw/zinc/45/56/38/643455638.db2.gz SXXPZGGUBKTIME-USYJTPIQSA-N 1 2 240.130 1.125 20 0 BDADLO OC[C@@]1(O)CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000307371230 643455643 /nfs/dbraw/zinc/45/56/43/643455643.db2.gz SXXPZGGUBKTIME-USYJTPIQSA-N 1 2 240.130 1.125 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@H]2CCCO2)n1 ZINC000083525225 643583649 /nfs/dbraw/zinc/58/36/49/643583649.db2.gz WKPKBMRNDCYIEZ-SECBINFHSA-N 1 2 225.292 1.291 20 0 BDADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC000970916689 643611361 /nfs/dbraw/zinc/61/13/61/643611361.db2.gz TZOIRPPDOADMPF-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC000970916689 643611369 /nfs/dbraw/zinc/61/13/69/643611369.db2.gz TZOIRPPDOADMPF-SNVBAGLBSA-N 1 2 239.344 1.196 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(Cl)nn1 ZINC000049236010 643614136 /nfs/dbraw/zinc/61/41/36/643614136.db2.gz MWTRPLKIDCHIKT-QMMMGPOBSA-N 1 2 237.694 1.827 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(Cl)nn1 ZINC000049236011 643614793 /nfs/dbraw/zinc/61/47/93/643614793.db2.gz MWTRPLKIDCHIKT-MRVPVSSYSA-N 1 2 237.694 1.827 20 0 BDADLO C[C@H]1CCC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000073180968 643783209 /nfs/dbraw/zinc/78/32/09/643783209.db2.gz PJWOMLSPKAVMKE-VIFPVBQESA-N 1 2 226.349 1.640 20 0 BDADLO C[C@H]1CCC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000073180968 643783212 /nfs/dbraw/zinc/78/32/12/643783212.db2.gz PJWOMLSPKAVMKE-VIFPVBQESA-N 1 2 226.349 1.640 20 0 BDADLO CCCOCC(=O)OCc1ccc[nH+]c1N ZINC000922385738 643984972 /nfs/dbraw/zinc/98/49/72/643984972.db2.gz CUYUFCCGXFTQOA-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO CO[C@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922401508 643988789 /nfs/dbraw/zinc/98/87/89/643988789.db2.gz FGOJUNIGTBLKEG-MRVPVSSYSA-N 1 2 224.260 1.132 20 0 BDADLO CO[C@@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922401509 643989383 /nfs/dbraw/zinc/98/93/83/643989383.db2.gz FGOJUNIGTBLKEG-QMMMGPOBSA-N 1 2 224.260 1.132 20 0 BDADLO CCc1ccc(NC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000922478585 644000988 /nfs/dbraw/zinc/00/09/88/644000988.db2.gz IRVKAABQNRCHRQ-UHFFFAOYSA-N 1 2 230.271 1.548 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CCCS2)c[nH+]1 ZINC000922502665 644005347 /nfs/dbraw/zinc/00/53/47/644005347.db2.gz OABLHICVTYEVFC-VIFPVBQESA-N 1 2 238.312 1.603 20 0 BDADLO c1n[nH]cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922578189 644030586 /nfs/dbraw/zinc/03/05/86/644030586.db2.gz YRWLDFJBTIPMCA-NSHDSACASA-N 1 2 229.287 1.441 20 0 BDADLO C[C@H]1C[C@@H](C(=O)OCc2ccc(N)[nH+]c2)CO1 ZINC000922630505 644046041 /nfs/dbraw/zinc/04/60/41/644046041.db2.gz PEXZRFKUQYXDSJ-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO COC/C(C)=C\C(=O)OCc1ccc(N)[nH+]c1 ZINC000922837104 644113166 /nfs/dbraw/zinc/11/31/66/644113166.db2.gz QTIHLCOTLZAKLT-UITAMQMPSA-N 1 2 236.271 1.300 20 0 BDADLO Nc1ccc(COC(=O)C2(F)CC2)c[nH+]1 ZINC000922840577 644116077 /nfs/dbraw/zinc/11/60/77/644116077.db2.gz ZPCBTHLRUJENPA-UHFFFAOYSA-N 1 2 210.208 1.209 20 0 BDADLO CCN(C(=O)c1cocc1C)C1C[NH+](CC)C1 ZINC000951182912 644202269 /nfs/dbraw/zinc/20/22/69/644202269.db2.gz JLSFFESJLRLHDP-UHFFFAOYSA-N 1 2 236.315 1.754 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cccc(C(N)=O)c1 ZINC000079893331 644216271 /nfs/dbraw/zinc/21/62/71/644216271.db2.gz LOLZMPUQPYYSBK-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cccc(C(N)=O)c1 ZINC000079893331 644216275 /nfs/dbraw/zinc/21/62/75/644216275.db2.gz LOLZMPUQPYYSBK-UHFFFAOYSA-N 1 2 245.282 1.406 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC000082339407 644371625 /nfs/dbraw/zinc/37/16/25/644371625.db2.gz WHQFKPWNQAGVHL-MRVPVSSYSA-N 1 2 209.249 1.016 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC000082339407 644371631 /nfs/dbraw/zinc/37/16/31/644371631.db2.gz WHQFKPWNQAGVHL-MRVPVSSYSA-N 1 2 209.249 1.016 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H](C)C1 ZINC000946933217 644528138 /nfs/dbraw/zinc/52/81/38/644528138.db2.gz SNTWAACDEWDLHW-ONGXEEELSA-N 1 2 237.303 1.164 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H](C)C1 ZINC000946933217 644528145 /nfs/dbraw/zinc/52/81/45/644528145.db2.gz SNTWAACDEWDLHW-ONGXEEELSA-N 1 2 237.303 1.164 20 0 BDADLO CCN(CC(=O)NC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000747621731 644584935 /nfs/dbraw/zinc/58/49/35/644584935.db2.gz ZRTXVUCGAIWONP-UHFFFAOYSA-N 1 2 248.330 1.235 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3[nH]cnc3c2)no1 ZINC000747622817 644585846 /nfs/dbraw/zinc/58/58/46/644585846.db2.gz ZHHFUYWZYFBBDQ-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3nc[nH]c3c2)no1 ZINC000747622817 644585848 /nfs/dbraw/zinc/58/58/48/644585848.db2.gz ZHHFUYWZYFBBDQ-UHFFFAOYSA-N 1 2 228.255 1.841 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC1(Cl)Cl ZINC000771876464 644690669 /nfs/dbraw/zinc/69/06/69/644690669.db2.gz YJVHOPKHCONHRC-ZETCQYMHSA-N 1 2 249.097 1.620 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000248635384 644692526 /nfs/dbraw/zinc/69/25/26/644692526.db2.gz XUMAMJLTNDLTEL-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1ccc(NC2CCN(C=O)CC2)c(C)[nH+]1 ZINC000774304065 644697206 /nfs/dbraw/zinc/69/72/06/644697206.db2.gz UWSKILASQBSMST-UHFFFAOYSA-N 1 2 233.315 1.731 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)/C=C\c1ccc[nH]1 ZINC000793239997 644801308 /nfs/dbraw/zinc/80/13/08/644801308.db2.gz BAPXYMMOMKMFGV-PLNGDYQASA-N 1 2 245.282 1.547 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C[C@@H]1CCCOC1 ZINC000796747075 644812326 /nfs/dbraw/zinc/81/23/26/644812326.db2.gz WQTRPRFFEXGZIB-JTQLQIEISA-N 1 2 238.287 1.280 20 0 BDADLO C[C@H]1C[N@H+](CN2C(=O)CCC2(C)C)[C@@H](C)CO1 ZINC000808138089 644873857 /nfs/dbraw/zinc/87/38/57/644873857.db2.gz HOMYWPKOOXADHS-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO C[C@H]1C[N@@H+](CN2C(=O)CCC2(C)C)[C@@H](C)CO1 ZINC000808138089 644873862 /nfs/dbraw/zinc/87/38/62/644873862.db2.gz HOMYWPKOOXADHS-QWRGUYRKSA-N 1 2 240.347 1.454 20 0 BDADLO C[N@H+](C[C@](C)(O)c1ccccc1)[C@@H]1CCOC1=O ZINC000823593228 645046442 /nfs/dbraw/zinc/04/64/42/645046442.db2.gz YRZCMHAHJNUZFO-OCCSQVGLSA-N 1 2 249.310 1.141 20 0 BDADLO C[N@@H+](C[C@](C)(O)c1ccccc1)[C@@H]1CCOC1=O ZINC000823593228 645046445 /nfs/dbraw/zinc/04/64/45/645046445.db2.gz YRZCMHAHJNUZFO-OCCSQVGLSA-N 1 2 249.310 1.141 20 0 BDADLO C[N@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1CCOC1=O ZINC000823593258 645046515 /nfs/dbraw/zinc/04/65/15/645046515.db2.gz YRZCMHAHJNUZFO-TZMCWYRMSA-N 1 2 249.310 1.141 20 0 BDADLO C[N@@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1CCOC1=O ZINC000823593258 645046517 /nfs/dbraw/zinc/04/65/17/645046517.db2.gz YRZCMHAHJNUZFO-TZMCWYRMSA-N 1 2 249.310 1.141 20 0 BDADLO Cc1cc(CO[NH+]=C(N)CCO)cc(Cl)n1 ZINC000842040627 645237557 /nfs/dbraw/zinc/23/75/57/645237557.db2.gz JUYRPQBAZYKOJR-UHFFFAOYSA-N 1 2 243.694 1.424 20 0 BDADLO Cc1ccc(F)c(CO[NH+]=C(N)CCO)c1 ZINC000842040931 645239091 /nfs/dbraw/zinc/23/90/91/645239091.db2.gz RCCWGYCHEHKMGI-UHFFFAOYSA-N 1 2 226.251 1.515 20 0 BDADLO Cc1cnc(NC(=O)C[C@@H](C)n2cc[nH+]c2)nc1 ZINC000844430084 645332661 /nfs/dbraw/zinc/33/26/61/645332661.db2.gz WRQBNNOLLAFUHY-SNVBAGLBSA-N 1 2 245.286 1.571 20 0 BDADLO CCCOCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845464214 645364987 /nfs/dbraw/zinc/36/49/87/645364987.db2.gz RKBOBCUJTSLLLK-NSHDSACASA-N 1 2 240.303 1.804 20 0 BDADLO Clc1ccc(C[N@@H+]2CCn3nncc3C2)cn1 ZINC000847027075 645420825 /nfs/dbraw/zinc/42/08/25/645420825.db2.gz NIMZPODHNGZTGZ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ccc(C[N@H+]2CCn3nncc3C2)cn1 ZINC000847027075 645420831 /nfs/dbraw/zinc/42/08/31/645420831.db2.gz NIMZPODHNGZTGZ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)c2ncnn21 ZINC000926796140 645437855 /nfs/dbraw/zinc/43/78/55/645437855.db2.gz BUFUAUKWMGIRGG-WCTZXXKLSA-N 1 2 246.236 1.824 20 0 BDADLO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)c2ncnn21 ZINC000926796139 645438566 /nfs/dbraw/zinc/43/85/66/645438566.db2.gz BUFUAUKWMGIRGG-OSMVPFSASA-N 1 2 246.236 1.824 20 0 BDADLO C[S@@](=O)CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000852469488 645485020 /nfs/dbraw/zinc/48/50/20/645485020.db2.gz VVZOAPGYVTWJRW-MLGOLLRUSA-N 1 2 241.331 1.951 20 0 BDADLO C[S@@](=O)CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000852469488 645485022 /nfs/dbraw/zinc/48/50/22/645485022.db2.gz VVZOAPGYVTWJRW-MLGOLLRUSA-N 1 2 241.331 1.951 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCC2=O)CCC1(F)F ZINC000857237375 645542026 /nfs/dbraw/zinc/54/20/26/645542026.db2.gz PEEAQEUTVDXSEC-MRVPVSSYSA-N 1 2 218.247 1.153 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCC2=O)CCC1(F)F ZINC000857237375 645542033 /nfs/dbraw/zinc/54/20/33/645542033.db2.gz PEEAQEUTVDXSEC-MRVPVSSYSA-N 1 2 218.247 1.153 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000927437166 645613283 /nfs/dbraw/zinc/61/32/83/645613283.db2.gz SFLXXGRGCQJYMA-SMDDNHRTSA-N 1 2 247.342 1.957 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCc1ccc(N)[nH+]c1 ZINC000927778580 645654961 /nfs/dbraw/zinc/65/49/61/645654961.db2.gz XGWFYTUAVJUZBF-SNVBAGLBSA-N 1 2 233.315 1.716 20 0 BDADLO CCCSCC(=O)NCc1ccc(N)[nH+]c1 ZINC000927779271 645657532 /nfs/dbraw/zinc/65/75/32/645657532.db2.gz XSNCIIJFLCSPAX-UHFFFAOYSA-N 1 2 239.344 1.423 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000930270274 645703099 /nfs/dbraw/zinc/70/30/99/645703099.db2.gz NBUGKGIVAORWER-FZMZJTMJSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000930270274 645703114 /nfs/dbraw/zinc/70/31/14/645703114.db2.gz NBUGKGIVAORWER-FZMZJTMJSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cnc(F)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000865676583 645722128 /nfs/dbraw/zinc/72/21/28/645722128.db2.gz OJGSOMWBOLLRJQ-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO COC(C)(C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000928603525 645844836 /nfs/dbraw/zinc/84/48/36/645844836.db2.gz SAXCFKOUYNTIIU-SECBINFHSA-N 1 2 239.319 1.190 20 0 BDADLO CCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928636826 645853139 /nfs/dbraw/zinc/85/31/39/645853139.db2.gz WHZISIXYNMJRIB-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CC(C)(/C=C/Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC000928926042 645895611 /nfs/dbraw/zinc/89/56/11/645895611.db2.gz BRDYDCLGGSJXIO-ONEGZZNKSA-N 1 2 227.695 1.600 20 0 BDADLO C[C@@H](c1ncccn1)N1CCc2[nH+]c[nH]c2C1 ZINC000929069986 645932974 /nfs/dbraw/zinc/93/29/74/645932974.db2.gz PIGHOUXPGJHUHX-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO C[C@H](c1nc(-c2ccc(=O)[nH]c2)no1)[NH+](C)C ZINC000924003361 645970271 /nfs/dbraw/zinc/97/02/71/645970271.db2.gz XNFXJPLZAGQELL-SSDOTTSWSA-N 1 2 234.259 1.460 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000924025984 645972467 /nfs/dbraw/zinc/97/24/67/645972467.db2.gz TYWKFEFCMOBIFX-LLHIFLOGSA-N 1 2 233.315 1.361 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000924025988 645973597 /nfs/dbraw/zinc/97/35/97/645973597.db2.gz TYWKFEFCMOBIFX-QCZKYFFMSA-N 1 2 233.315 1.361 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc([C@H]3CC34CC4)no2)O1 ZINC000924102674 645980705 /nfs/dbraw/zinc/98/07/05/645980705.db2.gz BRDNHVOKFFQOEC-BBBLOLIVSA-N 1 2 249.314 1.729 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc([C@H]3CC34CC4)no2)O1 ZINC000924102674 645980712 /nfs/dbraw/zinc/98/07/12/645980712.db2.gz BRDNHVOKFFQOEC-BBBLOLIVSA-N 1 2 249.314 1.729 20 0 BDADLO C[C@H](c1nc(Cc2cnsn2)no1)[NH+](C)C ZINC000924121724 645988743 /nfs/dbraw/zinc/98/87/43/645988743.db2.gz HYLHHGZOHLLZSH-ZCFIWIBFSA-N 1 2 239.304 1.135 20 0 BDADLO COCC[N@@H+](Cc1nncs1)CC(C)C ZINC000929274967 646053496 /nfs/dbraw/zinc/05/34/96/646053496.db2.gz ORGGBYBNMGPGLP-UHFFFAOYSA-N 1 2 229.349 1.643 20 0 BDADLO COCC[N@H+](Cc1nncs1)CC(C)C ZINC000929274967 646053499 /nfs/dbraw/zinc/05/34/99/646053499.db2.gz ORGGBYBNMGPGLP-UHFFFAOYSA-N 1 2 229.349 1.643 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nn(C)cc1C ZINC000929267713 646049266 /nfs/dbraw/zinc/04/92/66/646049266.db2.gz DIPPXWLCNPGEGW-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nn(C)cc1C ZINC000929267713 646049275 /nfs/dbraw/zinc/04/92/75/646049275.db2.gz DIPPXWLCNPGEGW-NEPJUHHUSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1nonc1C ZINC000924893523 646126205 /nfs/dbraw/zinc/12/62/05/646126205.db2.gz PXFRNFQUNNDTQJ-MRVPVSSYSA-N 1 2 249.318 1.579 20 0 BDADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cccc2c1OCO2 ZINC000924994274 646152215 /nfs/dbraw/zinc/15/22/15/646152215.db2.gz UIWYNMFVJVATKZ-VIFPVBQESA-N 1 2 245.282 1.989 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCNC(=O)CC1 ZINC000929513639 646162717 /nfs/dbraw/zinc/16/27/17/646162717.db2.gz FTECHKLVRWQHPQ-VIFPVBQESA-N 1 2 237.278 1.104 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCNC(=O)CC1 ZINC000929513639 646162721 /nfs/dbraw/zinc/16/27/21/646162721.db2.gz FTECHKLVRWQHPQ-VIFPVBQESA-N 1 2 237.278 1.104 20 0 BDADLO CCCC[N@H+](CCO)Cc1c(F)cncc1F ZINC000929514752 646164967 /nfs/dbraw/zinc/16/49/67/646164967.db2.gz XUAHFIYFCDMCAM-UHFFFAOYSA-N 1 2 244.285 1.954 20 0 BDADLO CCCC[N@@H+](CCO)Cc1c(F)cncc1F ZINC000929514752 646164971 /nfs/dbraw/zinc/16/49/71/646164971.db2.gz XUAHFIYFCDMCAM-UHFFFAOYSA-N 1 2 244.285 1.954 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H](O)C2)co1 ZINC000929520261 646169689 /nfs/dbraw/zinc/16/96/89/646169689.db2.gz MAXCXNHMCJKRFS-JTQLQIEISA-N 1 2 224.304 1.539 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H](O)C2)co1 ZINC000929520261 646169695 /nfs/dbraw/zinc/16/96/95/646169695.db2.gz MAXCXNHMCJKRFS-JTQLQIEISA-N 1 2 224.304 1.539 20 0 BDADLO CC[C@@H](CO)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000929695284 646249034 /nfs/dbraw/zinc/24/90/34/646249034.db2.gz YIYQSGXPNLXGCU-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000929680132 646236883 /nfs/dbraw/zinc/23/68/83/646236883.db2.gz LAPAJKAVZFVMCE-NBEPRFEDSA-N 1 2 245.388 1.420 20 0 BDADLO COC/C(C)=C/C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000929680132 646236889 /nfs/dbraw/zinc/23/68/89/646236889.db2.gz LAPAJKAVZFVMCE-NBEPRFEDSA-N 1 2 245.388 1.420 20 0 BDADLO COC[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC000929692420 646248040 /nfs/dbraw/zinc/24/80/40/646248040.db2.gz DDHRQMCTDXQSTR-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC000929692420 646248045 /nfs/dbraw/zinc/24/80/45/646248045.db2.gz DDHRQMCTDXQSTR-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO CC[C@@H](CO)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000929695284 646249030 /nfs/dbraw/zinc/24/90/30/646249030.db2.gz YIYQSGXPNLXGCU-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](CO)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000929695283 646249125 /nfs/dbraw/zinc/24/91/25/646249125.db2.gz YIYQSGXPNLXGCU-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CC[C@H](CO)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000929695283 646249132 /nfs/dbraw/zinc/24/91/32/646249132.db2.gz YIYQSGXPNLXGCU-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929811233 646329283 /nfs/dbraw/zinc/32/92/83/646329283.db2.gz LDQCWQKYWXFKDF-AYMMMOKOSA-N 1 2 242.273 1.528 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929811233 646329287 /nfs/dbraw/zinc/32/92/87/646329287.db2.gz LDQCWQKYWXFKDF-AYMMMOKOSA-N 1 2 242.273 1.528 20 0 BDADLO CC1(O)CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000929838023 646351703 /nfs/dbraw/zinc/35/17/03/646351703.db2.gz QTCKWQBPDYLNCA-UHFFFAOYSA-N 1 2 242.269 1.707 20 0 BDADLO O[C@H](CC[C@H](O)c1ccccc1)Cn1cc[nH+]c1 ZINC000929866365 646365192 /nfs/dbraw/zinc/36/51/92/646365192.db2.gz XZNGJLWBAOYKIW-KGLIPLIRSA-N 1 2 246.310 1.758 20 0 BDADLO CCc1ncc(C[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000929965327 646379101 /nfs/dbraw/zinc/37/91/01/646379101.db2.gz OFZUKOYBYXWCEV-UHFFFAOYSA-N 1 2 238.287 1.186 20 0 BDADLO CCc1ncc(C[N@H+]2CCC3(C2)OCCO3)o1 ZINC000929965327 646379107 /nfs/dbraw/zinc/37/91/07/646379107.db2.gz OFZUKOYBYXWCEV-UHFFFAOYSA-N 1 2 238.287 1.186 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000925635905 646379378 /nfs/dbraw/zinc/37/93/78/646379378.db2.gz UYHDHXMLBXJKKH-BDAKNGLRSA-N 1 2 248.334 1.741 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)CCc1ccns1 ZINC000929969311 646382141 /nfs/dbraw/zinc/38/21/41/646382141.db2.gz LRUBQJPWGUSWII-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)CCc1ccns1 ZINC000929969311 646382143 /nfs/dbraw/zinc/38/21/43/646382143.db2.gz LRUBQJPWGUSWII-UHFFFAOYSA-N 1 2 242.344 1.569 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCC3)c(C)nn1 ZINC000930065470 646417795 /nfs/dbraw/zinc/41/77/95/646417795.db2.gz PHEYIUWXXKYINR-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCC3)c(C)nn1 ZINC000930065470 646417798 /nfs/dbraw/zinc/41/77/98/646417798.db2.gz PHEYIUWXXKYINR-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)c(C)nn1 ZINC000930142650 646456695 /nfs/dbraw/zinc/45/66/95/646456695.db2.gz LSBZRNCKWICMQP-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO Cc1cc(C[N@H+]2CCOC3(CCC3)C2)c(C)nn1 ZINC000930142650 646456698 /nfs/dbraw/zinc/45/66/98/646456698.db2.gz LSBZRNCKWICMQP-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC=C(F)C1 ZINC000930173643 646474362 /nfs/dbraw/zinc/47/43/62/646474362.db2.gz JZGRFJIYRUZBPM-GXSJLCMTSA-N 1 2 227.279 1.745 20 0 BDADLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC=C(F)C1 ZINC000930173643 646474365 /nfs/dbraw/zinc/47/43/65/646474365.db2.gz JZGRFJIYRUZBPM-GXSJLCMTSA-N 1 2 227.279 1.745 20 0 BDADLO FC1=CCC[N@H+](C[C@H]2CCC3(COC3)O2)C1 ZINC000930176788 646480931 /nfs/dbraw/zinc/48/09/31/646480931.db2.gz ZKUQJPQGMHQFBS-LLVKDONJSA-N 1 2 227.279 1.494 20 0 BDADLO FC1=CCC[N@@H+](C[C@H]2CCC3(COC3)O2)C1 ZINC000930176788 646480935 /nfs/dbraw/zinc/48/09/35/646480935.db2.gz ZKUQJPQGMHQFBS-LLVKDONJSA-N 1 2 227.279 1.494 20 0 BDADLO C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1(C(F)F)CC1 ZINC000926364922 646626667 /nfs/dbraw/zinc/62/66/67/646626667.db2.gz PVFWIEQAVFHFDW-BIIVOSGPSA-N 1 2 205.248 1.797 20 0 BDADLO CCN(C)C(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934006771 711561149 /nfs/dbraw/zinc/56/11/49/711561149.db2.gz OIKWZAPFDMUSPU-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724413580 711578701 /nfs/dbraw/zinc/57/87/01/711578701.db2.gz MYUFGXFDFBYNBO-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000724413580 711578703 /nfs/dbraw/zinc/57/87/03/711578703.db2.gz MYUFGXFDFBYNBO-SECBINFHSA-N 1 2 226.320 1.785 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C)sn1 ZINC000135094327 711589328 /nfs/dbraw/zinc/58/93/28/711589328.db2.gz XFTYNWUZBDMWHP-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC000135094327 711589332 /nfs/dbraw/zinc/58/93/32/711589332.db2.gz XFTYNWUZBDMWHP-MRVPVSSYSA-N 1 2 225.317 1.484 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724708660 711609441 /nfs/dbraw/zinc/60/94/41/711609441.db2.gz QQKVMENYHVZHRO-HTQZYQBOSA-N 1 2 220.263 1.227 20 0 BDADLO CCCCN(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000724726888 711609934 /nfs/dbraw/zinc/60/99/34/711609934.db2.gz GUQQWNKNJMPBFP-ZETCQYMHSA-N 1 2 208.252 1.227 20 0 BDADLO [NH3+][C@H](CC(=O)NCc1ccsc1)C(F)F ZINC000724750801 711610726 /nfs/dbraw/zinc/61/07/26/711610726.db2.gz GDMQUJDKSVDXOB-SSDOTTSWSA-N 1 2 234.271 1.347 20 0 BDADLO [NH3+][C@@H](CC(=O)NCc1ccsc1)C(F)F ZINC000724750803 711610748 /nfs/dbraw/zinc/61/07/48/711610748.db2.gz GDMQUJDKSVDXOB-ZETCQYMHSA-N 1 2 234.271 1.347 20 0 BDADLO CCC(CC)NC(=O)C[C@H]([NH3+])C(F)F ZINC000724727200 711610136 /nfs/dbraw/zinc/61/01/36/711610136.db2.gz KGPVCBCRLQGESA-ZETCQYMHSA-N 1 2 208.252 1.274 20 0 BDADLO FC(F)(F)[C@H]1CC[C@@H](Cn2cc[nH+]c2)O1 ZINC000721400262 711753537 /nfs/dbraw/zinc/75/35/37/711753537.db2.gz XCNGTZZNGDDLRI-JGVFFNPUSA-N 1 2 220.194 1.993 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061589187 711839096 /nfs/dbraw/zinc/83/90/96/711839096.db2.gz UWONAIWWLVMUNA-DTWKUNHWSA-N 1 2 217.334 1.423 20 0 BDADLO Cc1cocc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030797858 711843295 /nfs/dbraw/zinc/84/32/95/711843295.db2.gz JPMUTBNZLKDHDP-UHFFFAOYSA-N 1 2 240.278 1.362 20 0 BDADLO CC(=O)CCN1CC[NH+](CCOC(C)C)CC1 ZINC000174897533 711881048 /nfs/dbraw/zinc/88/10/48/711881048.db2.gz VZDYXNMEZZJNKO-UHFFFAOYSA-N 1 2 242.363 1.008 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000071947927 711901009 /nfs/dbraw/zinc/90/10/09/711901009.db2.gz KPXLYMLPHRVKDO-LLVKDONJSA-N 1 2 206.220 1.756 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001032844785 711961183 /nfs/dbraw/zinc/96/11/83/711961183.db2.gz SXAZVKQAVZSXFO-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001032844785 711961186 /nfs/dbraw/zinc/96/11/86/711961186.db2.gz SXAZVKQAVZSXFO-JTQLQIEISA-N 1 2 239.344 1.196 20 0 BDADLO CC1(O)CCC(Nc2cc[nH+]cc2F)CC1 ZINC000705814756 712136579 /nfs/dbraw/zinc/13/65/79/712136579.db2.gz NMWDBDCDAFVKKQ-UHFFFAOYSA-N 1 2 224.279 1.748 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706181916 712142020 /nfs/dbraw/zinc/14/20/20/712142020.db2.gz CICOHDXRFZTVFF-WCBMZHEXSA-N 1 2 243.738 1.276 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(Cl)n(C)n2)C[C@H]1O ZINC000706181916 712142021 /nfs/dbraw/zinc/14/20/21/712142021.db2.gz CICOHDXRFZTVFF-WCBMZHEXSA-N 1 2 243.738 1.276 20 0 BDADLO Fc1c[nH+]ccc1NC[C@H]1CCC=CO1 ZINC000711061779 712277285 /nfs/dbraw/zinc/27/72/85/712277285.db2.gz UCUORNONDYFYRI-SECBINFHSA-N 1 2 208.236 1.747 20 0 BDADLO Cc1nc(NC[C@@H]2C=CCC2)nc(N)[nH+]1 ZINC000711759771 712326578 /nfs/dbraw/zinc/32/65/78/712326578.db2.gz QEZTUUPZUYHWCJ-MRVPVSSYSA-N 1 2 205.265 1.140 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C=CCC2)[nH+]1 ZINC000711759771 712326580 /nfs/dbraw/zinc/32/65/80/712326580.db2.gz QEZTUUPZUYHWCJ-MRVPVSSYSA-N 1 2 205.265 1.140 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccoc2Cl)C1 ZINC000379097830 712369396 /nfs/dbraw/zinc/36/93/96/712369396.db2.gz CYYDQXSXGWOWBJ-UHFFFAOYSA-N 1 2 242.706 1.757 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OC/C=C/Cl)C1 ZINC000805475791 712414679 /nfs/dbraw/zinc/41/46/79/712414679.db2.gz XOORFJKLUBPAHH-NWALNABHSA-N 1 2 233.695 1.003 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OC/C=C/Cl)C1 ZINC000805475791 712414681 /nfs/dbraw/zinc/41/46/81/712414681.db2.gz XOORFJKLUBPAHH-NWALNABHSA-N 1 2 233.695 1.003 20 0 BDADLO CC1(C)OC[C@H](C[NH2+]C2(C(F)F)CC2)O1 ZINC000715122853 712511091 /nfs/dbraw/zinc/51/10/91/712511091.db2.gz STUPLUOKJLJZJS-ZETCQYMHSA-N 1 2 221.247 1.525 20 0 BDADLO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000716855222 712578842 /nfs/dbraw/zinc/57/88/42/712578842.db2.gz IBVDYRKGTJYMRJ-GMTAPVOTSA-N 1 2 245.363 1.856 20 0 BDADLO Cc1nsc(NCC[N@H+]2CCC[C@@H]2C)n1 ZINC000380001895 712651506 /nfs/dbraw/zinc/65/15/06/712651506.db2.gz KFVPMSCOBABUPB-QMMMGPOBSA-N 1 2 226.349 1.165 20 0 BDADLO Cc1nsc(NCC[N@@H+]2CCC[C@@H]2C)n1 ZINC000380001895 712651508 /nfs/dbraw/zinc/65/15/08/712651508.db2.gz KFVPMSCOBABUPB-QMMMGPOBSA-N 1 2 226.349 1.165 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C[C@H](C)OC ZINC000389316373 712688981 /nfs/dbraw/zinc/68/89/81/712688981.db2.gz FAPSMLNQVMOTCD-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C[C@H](C)OC ZINC000389316373 712688982 /nfs/dbraw/zinc/68/89/82/712688982.db2.gz FAPSMLNQVMOTCD-JTQLQIEISA-N 1 2 217.309 1.296 20 0 BDADLO CC[NH2+]Cc1noc([C@H](CC)SC)n1 ZINC000380179090 712706346 /nfs/dbraw/zinc/70/63/46/712706346.db2.gz LAMLRCWVYPVOQT-ZETCQYMHSA-N 1 2 215.322 1.993 20 0 BDADLO CNc1cc(N[C@H]2CCS[C@@H]2C)nc[nH+]1 ZINC000380177013 712706353 /nfs/dbraw/zinc/70/63/53/712706353.db2.gz KHTNYGXCIGHZSX-SFYZADRCSA-N 1 2 224.333 1.824 20 0 BDADLO CNc1cc(N[C@H]2CCS[C@@H]2C)[nH+]cn1 ZINC000380177013 712706354 /nfs/dbraw/zinc/70/63/54/712706354.db2.gz KHTNYGXCIGHZSX-SFYZADRCSA-N 1 2 224.333 1.824 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037993946 712897381 /nfs/dbraw/zinc/89/73/81/712897381.db2.gz LPHPIWZJWKSHIF-LBPRGKRZSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037993946 712897382 /nfs/dbraw/zinc/89/73/82/712897382.db2.gz LPHPIWZJWKSHIF-LBPRGKRZSA-N 1 2 249.314 1.084 20 0 BDADLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2ccon2)C1 ZINC001042502196 710787745 /nfs/dbraw/zinc/78/77/45/710787745.db2.gz UBJCSVUMWVCNBI-UHFFFAOYSA-N 1 2 249.314 1.397 20 0 BDADLO CCC[NH+]1CC(N(C)C(=O)c2cccs2)C1 ZINC001042430355 710782740 /nfs/dbraw/zinc/78/27/40/710782740.db2.gz OFCAZVHFCBIRIB-UHFFFAOYSA-N 1 2 238.356 1.914 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001046090869 710845678 /nfs/dbraw/zinc/84/56/78/710845678.db2.gz FTOWSMLXOHBEGF-MFKMUULPSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001046090869 710845683 /nfs/dbraw/zinc/84/56/83/710845683.db2.gz FTOWSMLXOHBEGF-MFKMUULPSA-N 1 2 248.330 1.138 20 0 BDADLO Cc1nc(N[C@@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC001056549442 710947544 /nfs/dbraw/zinc/94/75/44/710947544.db2.gz AHZNUJSYJDFMPG-LLVKDONJSA-N 1 2 246.314 1.208 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1 ZINC001050793159 710956274 /nfs/dbraw/zinc/95/62/74/710956274.db2.gz YUNZWKXUNXVBBB-ZDUSSCGKSA-N 1 2 248.326 1.137 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1 ZINC001050793159 710956278 /nfs/dbraw/zinc/95/62/78/710956278.db2.gz YUNZWKXUNXVBBB-ZDUSSCGKSA-N 1 2 248.326 1.137 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1 ZINC001050793152 710956676 /nfs/dbraw/zinc/95/66/76/710956676.db2.gz YUNZWKXUNXVBBB-CYBMUJFWSA-N 1 2 248.326 1.137 20 0 BDADLO CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1 ZINC001050793152 710956680 /nfs/dbraw/zinc/95/66/80/710956680.db2.gz YUNZWKXUNXVBBB-CYBMUJFWSA-N 1 2 248.326 1.137 20 0 BDADLO CNc1cc(NCc2ccnc(OC)c2)nc[nH+]1 ZINC000133091740 710968344 /nfs/dbraw/zinc/96/83/44/710968344.db2.gz OJFZSNWLGNANIB-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO CNc1cc(NCc2ccnc(OC)c2)[nH+]cn1 ZINC000133091740 710968348 /nfs/dbraw/zinc/96/83/48/710968348.db2.gz OJFZSNWLGNANIB-UHFFFAOYSA-N 1 2 245.286 1.534 20 0 BDADLO CNc1cc(N(C)CCCOC(C)C)nc[nH+]1 ZINC000383544972 710982949 /nfs/dbraw/zinc/98/29/49/710982949.db2.gz MPSWPZVIHHUJLG-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CNc1cc(N(C)CCCOC(C)C)[nH+]cn1 ZINC000383544972 710982951 /nfs/dbraw/zinc/98/29/51/710982951.db2.gz MPSWPZVIHHUJLG-UHFFFAOYSA-N 1 2 238.335 1.770 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](C)c1ccnn1C ZINC000385502779 711014322 /nfs/dbraw/zinc/01/43/22/711014322.db2.gz QKYDLFVAHDXHLP-SNVBAGLBSA-N 1 2 233.319 1.487 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](C)c1ccnn1C ZINC000385502778 711015031 /nfs/dbraw/zinc/01/50/31/711015031.db2.gz QKYDLFVAHDXHLP-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CNc1cc(N[C@H](CO)C2CCCC2)nc[nH+]1 ZINC000386131032 711023613 /nfs/dbraw/zinc/02/36/13/711023613.db2.gz OKBNGDYUGLMIBM-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BDADLO CNc1cc(N[C@H](CO)C2CCCC2)[nH+]cn1 ZINC000386131032 711023615 /nfs/dbraw/zinc/02/36/15/711023615.db2.gz OKBNGDYUGLMIBM-SNVBAGLBSA-N 1 2 236.319 1.481 20 0 BDADLO CNc1cc(N[C@@H](C)[C@H]2CCCOC2)[nH+]cn1 ZINC000388952200 711071066 /nfs/dbraw/zinc/07/10/66/711071066.db2.gz AFPMFPQHFMNFBO-UWVGGRQHSA-N 1 2 236.319 1.745 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000389990625 711103217 /nfs/dbraw/zinc/10/32/17/711103217.db2.gz OCWAKABNZVRZRZ-KXUCPTDWSA-N 1 2 231.361 1.669 20 0 BDADLO CC(C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000389598938 711082364 /nfs/dbraw/zinc/08/23/64/711082364.db2.gz SCFLSOGZBKFWFW-UHFFFAOYSA-N 1 2 208.261 1.583 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cc[nH]n1)C(F)(F)F ZINC000389898703 711095897 /nfs/dbraw/zinc/09/58/97/711095897.db2.gz BNXWCWBUJFRPMG-ZETCQYMHSA-N 1 2 223.198 1.077 20 0 BDADLO Nc1cc(COC(=O)C=C2CCC2)cc[nH+]1 ZINC000390326837 711113165 /nfs/dbraw/zinc/11/31/65/711113165.db2.gz JPCPSKUDUKPQNQ-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOCc1ccccc1 ZINC000390769484 711133709 /nfs/dbraw/zinc/13/37/09/711133709.db2.gz KETGGWDGHRYOSP-UHFFFAOYSA-N 1 2 245.282 1.521 20 0 BDADLO CC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000393759642 711172377 /nfs/dbraw/zinc/17/23/77/711172377.db2.gz KQVZDJYRHCVHER-UHFFFAOYSA-N 1 2 208.261 1.583 20 0 BDADLO CC(C)[C@@H](CO)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000394087269 711182746 /nfs/dbraw/zinc/18/27/46/711182746.db2.gz OCEVUMRWMCHXFZ-GHMZBOCLSA-N 1 2 245.363 1.571 20 0 BDADLO CC(C)[C@@H](CO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000394087276 711183647 /nfs/dbraw/zinc/18/36/47/711183647.db2.gz OCEVUMRWMCHXFZ-WDEREUQCSA-N 1 2 245.363 1.571 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC2(F)F)[C@H]1OC ZINC000398056421 711400644 /nfs/dbraw/zinc/40/06/44/711400644.db2.gz ZRMHKUDXMUDPMN-LNFKQOIKSA-N 1 2 249.301 1.956 20 0 BDADLO C[C@H]1COCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000399074411 711420767 /nfs/dbraw/zinc/42/07/67/711420767.db2.gz ITOWJPPJWQADJR-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO C[C@H]1COCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000399074411 711420769 /nfs/dbraw/zinc/42/07/69/711420769.db2.gz ITOWJPPJWQADJR-VIFPVBQESA-N 1 2 241.722 1.741 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cc[nH]n2)n(C)n1 ZINC000381275450 710615591 /nfs/dbraw/zinc/61/55/91/710615591.db2.gz WUPHJXCOFVDFQX-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO CCc1cccnc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001043178885 710803469 /nfs/dbraw/zinc/80/34/69/710803469.db2.gz CCQHRMRGLLQXED-UHFFFAOYSA-N 1 2 247.342 1.420 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001046090870 710844746 /nfs/dbraw/zinc/84/47/46/710844746.db2.gz FTOWSMLXOHBEGF-ZWNOBZJWSA-N 1 2 248.330 1.138 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001046090870 710844747 /nfs/dbraw/zinc/84/47/47/710844747.db2.gz FTOWSMLXOHBEGF-ZWNOBZJWSA-N 1 2 248.330 1.138 20 0 BDADLO CCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001068990753 711031260 /nfs/dbraw/zinc/03/12/60/711031260.db2.gz WMCHBGRVTSUSEB-MWLCHTKSSA-N 1 2 248.330 1.596 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2nc(C)ccc2O)[nH]1 ZINC000392494012 711148579 /nfs/dbraw/zinc/14/85/79/711148579.db2.gz YVYJALAILHXLKG-QMMMGPOBSA-N 1 2 247.302 1.373 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000396968047 711374850 /nfs/dbraw/zinc/37/48/50/711374850.db2.gz KDOHYAUUFHUQMO-HBNTYKKESA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000399946735 711437397 /nfs/dbraw/zinc/43/73/97/711437397.db2.gz UNDTYRNJYURDNH-KOLCDFICSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000399946735 711437400 /nfs/dbraw/zinc/43/74/00/711437400.db2.gz UNDTYRNJYURDNH-KOLCDFICSA-N 1 2 241.360 1.664 20 0 BDADLO Cc1nn(C)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000386126271 711491748 /nfs/dbraw/zinc/49/17/48/711491748.db2.gz NDSKOFXVWDEJNK-UHFFFAOYSA-N 1 2 247.327 1.347 20 0 BDADLO CCN(C)C(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934006771 711561148 /nfs/dbraw/zinc/56/11/48/711561148.db2.gz OIKWZAPFDMUSPU-UHFFFAOYSA-N 1 2 236.315 1.722 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724256034 711572377 /nfs/dbraw/zinc/57/23/77/711572377.db2.gz LMFRZFHRBVWGPY-ZRUFSTJUSA-N 1 2 229.320 1.484 20 0 BDADLO CC(C)(C)c1coc(C[N@H+](CCO)C2CC2)n1 ZINC000724413630 711578783 /nfs/dbraw/zinc/57/87/83/711578783.db2.gz NHTMGCLORKRQST-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1coc(C[N@@H+](CCO)C2CC2)n1 ZINC000724413630 711578786 /nfs/dbraw/zinc/57/87/86/711578786.db2.gz NHTMGCLORKRQST-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CCCCN(CC)C(=O)C[C@@H]([NH3+])C(F)F ZINC000724727553 711610222 /nfs/dbraw/zinc/61/02/22/711610222.db2.gz NVVOTGVUEWSDOO-MRVPVSSYSA-N 1 2 222.279 1.618 20 0 BDADLO CC[NH2+]Cc1noc(CCc2ccncc2)n1 ZINC000721363586 711614155 /nfs/dbraw/zinc/61/41/55/711614155.db2.gz JAPAYBNRDUECBA-UHFFFAOYSA-N 1 2 232.287 1.359 20 0 BDADLO CSCc1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000724841949 711620554 /nfs/dbraw/zinc/62/05/54/711620554.db2.gz IZZZPUQCYGIMFJ-UHFFFAOYSA-N 1 2 248.355 1.958 20 0 BDADLO C[C@H]([NH2+]CC(C)(C)CO)C(=O)OC(C)(C)C ZINC000168669172 711685032 /nfs/dbraw/zinc/68/50/32/711685032.db2.gz YIRRAVICCFHIOA-VIFPVBQESA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000924031156 711710529 /nfs/dbraw/zinc/71/05/29/711710529.db2.gz ODVYXRGFABFPNF-WISYIIOYSA-N 1 2 233.315 1.291 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)[nH]n1 ZINC000722313027 711734410 /nfs/dbraw/zinc/73/44/10/711734410.db2.gz OARLJHYEMBTGDO-RYUDHWBXSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1nc(NC[C@H]2CC[C@@H](C3CC3)O2)nc(N)[nH+]1 ZINC000722327372 711737860 /nfs/dbraw/zinc/73/78/60/711737860.db2.gz ADTWAXMMETUTNQ-ZJUUUORDSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CC[C@@H](C3CC3)O2)[nH+]1 ZINC000722327372 711737862 /nfs/dbraw/zinc/73/78/62/711737862.db2.gz ADTWAXMMETUTNQ-ZJUUUORDSA-N 1 2 249.318 1.132 20 0 BDADLO CC[C@H](CO)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000258736740 711741096 /nfs/dbraw/zinc/74/10/96/711741096.db2.gz JJDUNHQTUFSLQM-SECBINFHSA-N 1 2 247.298 1.828 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000258736742 711741440 /nfs/dbraw/zinc/74/14/40/711741440.db2.gz JJDUNHQTUFSLQM-VIFPVBQESA-N 1 2 247.298 1.828 20 0 BDADLO CCN1CCC[C@H]([NH2+]Cc2cc(C)on2)C1=O ZINC000722359164 711746293 /nfs/dbraw/zinc/74/62/93/711746293.db2.gz HFYFDQZZDKETEP-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO O=C(CCC1CC1)N1CCC[N@@H+](CCF)CC1 ZINC000980863160 711750020 /nfs/dbraw/zinc/75/00/20/711750020.db2.gz AJVOFWQOKFGFMZ-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO O=C(CCC1CC1)N1CCC[N@H+](CCF)CC1 ZINC000980863160 711750022 /nfs/dbraw/zinc/75/00/22/711750022.db2.gz AJVOFWQOKFGFMZ-UHFFFAOYSA-N 1 2 242.338 1.680 20 0 BDADLO C/C=C/C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722408015 711754470 /nfs/dbraw/zinc/75/44/70/711754470.db2.gz YNJMMSIMJQCZID-SNAWJCMRSA-N 1 2 239.344 1.397 20 0 BDADLO C[NH+](C)Cc1csc(CNc2cccnn2)n1 ZINC000722405406 711754517 /nfs/dbraw/zinc/75/45/17/711754517.db2.gz SRODUNFDQFKBLH-UHFFFAOYSA-N 1 2 249.343 1.607 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CCCOCC2)o1 ZINC000334170468 711775402 /nfs/dbraw/zinc/77/54/02/711775402.db2.gz AJGIYAZIRQJDMI-JTQLQIEISA-N 1 2 210.277 1.766 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CCCOCC2)o1 ZINC000334170468 711775403 /nfs/dbraw/zinc/77/54/03/711775403.db2.gz AJGIYAZIRQJDMI-JTQLQIEISA-N 1 2 210.277 1.766 20 0 BDADLO CCc1cc(N2C[C@@H]3C[C@]3(O)C2)nc(CC)[nH+]1 ZINC000895155617 711777987 /nfs/dbraw/zinc/77/79/87/711777987.db2.gz GWELOPRCMIXEFV-ZANVPECISA-N 1 2 233.315 1.172 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C(F)F)no2)[C@@H](C)O1 ZINC000895724568 711781175 /nfs/dbraw/zinc/78/11/75/711781175.db2.gz ICIVJLUSGWPQSG-FSDSQADBSA-N 1 2 247.245 1.663 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H](NC(=O)C(C)C)C2)cc[nH+]1 ZINC001059565559 711786028 /nfs/dbraw/zinc/78/60/28/711786028.db2.gz VUHABYHFQWHFCK-PHIMTYICSA-N 1 2 248.330 1.500 20 0 BDADLO O[C@H](CCNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000897383672 711788833 /nfs/dbraw/zinc/78/88/33/711788833.db2.gz DCLRHTDYZAYZNT-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO O[C@H](CCNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000897383672 711788835 /nfs/dbraw/zinc/78/88/35/711788835.db2.gz DCLRHTDYZAYZNT-LLVKDONJSA-N 1 2 248.330 1.624 20 0 BDADLO CC(C)CC[N@H+](C)Cn1ncn(C)c1=S ZINC000068961012 711890085 /nfs/dbraw/zinc/89/00/85/711890085.db2.gz UFURBJHKPQNEEV-UHFFFAOYSA-N 1 2 228.365 1.886 20 0 BDADLO CC(C)CC[N@@H+](C)Cn1ncn(C)c1=S ZINC000068961012 711890087 /nfs/dbraw/zinc/89/00/87/711890087.db2.gz UFURBJHKPQNEEV-UHFFFAOYSA-N 1 2 228.365 1.886 20 0 BDADLO CCC(C)(C)CC(=O)NCc1c[nH+]cn1C ZINC000355272848 711913879 /nfs/dbraw/zinc/91/38/79/711913879.db2.gz VRLOYEJSJKRTMU-UHFFFAOYSA-N 1 2 223.320 1.863 20 0 BDADLO Cc1noc(C)c1C[NH+]1CC(O)(C(C)C)C1 ZINC000084376740 711924779 /nfs/dbraw/zinc/92/47/79/711924779.db2.gz QNVMMFJBXIEFNB-UHFFFAOYSA-N 1 2 224.304 1.494 20 0 BDADLO CC[NH+](CC)Cc1nc(COC(C)C)no1 ZINC000356094578 711926566 /nfs/dbraw/zinc/92/65/66/711926566.db2.gz UWROIMOMQVAYIT-UHFFFAOYSA-N 1 2 227.308 1.836 20 0 BDADLO CC[C@](C)(O)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494556 711935458 /nfs/dbraw/zinc/93/54/58/711935458.db2.gz LGKMDZWHUBAEGU-SKDRFNHKSA-N 1 2 231.336 1.467 20 0 BDADLO CC(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001061148557 711952148 /nfs/dbraw/zinc/95/21/48/711952148.db2.gz BEUWMRPERHKLEZ-LBPRGKRZSA-N 1 2 248.330 1.232 20 0 BDADLO CNc1cc(N[C@H]2CC23CCC3)nc[nH+]1 ZINC000721283084 711959227 /nfs/dbraw/zinc/95/92/27/711959227.db2.gz CZPLPWSBBRKAQG-QMMMGPOBSA-N 1 2 204.277 1.873 20 0 BDADLO CNc1cc(N[C@H]2CC23CCC3)[nH+]cn1 ZINC000721283084 711959229 /nfs/dbraw/zinc/95/92/29/711959229.db2.gz CZPLPWSBBRKAQG-QMMMGPOBSA-N 1 2 204.277 1.873 20 0 BDADLO COc1cncc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)c1 ZINC000700087560 711985451 /nfs/dbraw/zinc/98/54/51/711985451.db2.gz HPMDBDSNPSQFSY-QMMMGPOBSA-N 1 2 247.302 1.368 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(N)nc1 ZINC000700388222 711991644 /nfs/dbraw/zinc/99/16/44/711991644.db2.gz QGNCXDFGZMMKSE-UHFFFAOYSA-N 1 2 227.283 1.082 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(N)nc1 ZINC000700388222 711991646 /nfs/dbraw/zinc/99/16/46/711991646.db2.gz QGNCXDFGZMMKSE-UHFFFAOYSA-N 1 2 227.283 1.082 20 0 BDADLO CCOC(C[N@@H+]1CCO[C@@H](CCF)C1)OCC ZINC000700596540 711999789 /nfs/dbraw/zinc/99/97/89/711999789.db2.gz HTIKELVXDGQYTN-NSHDSACASA-N 1 2 249.326 1.446 20 0 BDADLO CCOC(C[N@H+]1CCO[C@@H](CCF)C1)OCC ZINC000700596540 711999791 /nfs/dbraw/zinc/99/97/91/711999791.db2.gz HTIKELVXDGQYTN-NSHDSACASA-N 1 2 249.326 1.446 20 0 BDADLO CCCCOC(=O)C[NH+]1CCC(F)CC1 ZINC000701827592 712030078 /nfs/dbraw/zinc/03/00/78/712030078.db2.gz IMSCXSZCEKHXDP-UHFFFAOYSA-N 1 2 217.284 1.764 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1c[nH]cn1)c1cnn(C)c1 ZINC000922896238 712087647 /nfs/dbraw/zinc/08/76/47/712087647.db2.gz WVVKZNYWOUMNAR-GFCCVEGCSA-N 1 2 233.319 1.630 20 0 BDADLO O=C(c1cccnc1F)N1CC(n2cc[nH+]c2)C1 ZINC000707152932 712165901 /nfs/dbraw/zinc/16/59/01/712165901.db2.gz QLKLZGSARXTAIM-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO Cc1[nH]c(CNc2cnc(C)nc2)[nH+]c1C ZINC000708983169 712205409 /nfs/dbraw/zinc/20/54/09/712205409.db2.gz ZBCVJZXCDCCHJL-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO Cc1nc(C[NH2+]C[C@H](O)C(F)(F)F)[nH]c1C ZINC000709057315 712207064 /nfs/dbraw/zinc/20/70/64/712207064.db2.gz WAEIILTVEJYRGS-ZETCQYMHSA-N 1 2 237.225 1.039 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000709078752 712207832 /nfs/dbraw/zinc/20/78/32/712207832.db2.gz DKEGFAIWLZTZPZ-JXDHDYMSSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000709078752 712207835 /nfs/dbraw/zinc/20/78/35/712207835.db2.gz DKEGFAIWLZTZPZ-JXDHDYMSSA-N 1 2 241.331 1.463 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CC23CCOCC3)n1 ZINC000709679011 712215158 /nfs/dbraw/zinc/21/51/58/712215158.db2.gz NLKRYXWMWWXVND-SECBINFHSA-N 1 2 237.303 1.463 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000709715887 712216909 /nfs/dbraw/zinc/21/69/09/712216909.db2.gz QVJDRKPPGPPXBD-GUBZILKMSA-N 1 2 231.361 1.812 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cn(C)cn1 ZINC000710068321 712244371 /nfs/dbraw/zinc/24/43/71/712244371.db2.gz NOAALOQJNQBPLE-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001064709540 712344738 /nfs/dbraw/zinc/34/47/38/712344738.db2.gz YSKSBVLUYAUUHZ-CABZTGNLSA-N 1 2 248.330 1.596 20 0 BDADLO CC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001065790785 712356427 /nfs/dbraw/zinc/35/64/27/712356427.db2.gz ZRZDZEAQVOAFQN-SKDRFNHKSA-N 1 2 248.330 1.311 20 0 BDADLO CCCn1cc([C@@H](C)[NH2+]CCF)nn1 ZINC000715833206 712384042 /nfs/dbraw/zinc/38/40/42/712384042.db2.gz BLQWLVUFEKCHHF-MRVPVSSYSA-N 1 2 200.261 1.308 20 0 BDADLO C[C@H](NC[C@H]1CC[N@@H+]1C)c1cscn1 ZINC000712602866 712436763 /nfs/dbraw/zinc/43/67/63/712436763.db2.gz XQQRNJBQLRAKKZ-DTWKUNHWSA-N 1 2 211.334 1.498 20 0 BDADLO C[C@H](NC[C@H]1CC[N@H+]1C)c1cscn1 ZINC000712602866 712436764 /nfs/dbraw/zinc/43/67/64/712436764.db2.gz XQQRNJBQLRAKKZ-DTWKUNHWSA-N 1 2 211.334 1.498 20 0 BDADLO C[C@@]1(C(F)(F)F)C[N@H+](CCCO)CCO1 ZINC000712797454 712449287 /nfs/dbraw/zinc/44/92/87/712449287.db2.gz STAXSOPIFUYLEA-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO C[C@@]1(C(F)(F)F)C[N@@H+](CCCO)CCO1 ZINC000712797454 712449290 /nfs/dbraw/zinc/44/92/90/712449290.db2.gz STAXSOPIFUYLEA-QMMMGPOBSA-N 1 2 227.226 1.022 20 0 BDADLO COC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000714254079 712481413 /nfs/dbraw/zinc/48/14/13/712481413.db2.gz ZODDBWBMLMUSAD-DTORHVGOSA-N 1 2 247.302 1.200 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cccc(O)c2)nn1 ZINC000714406513 712484880 /nfs/dbraw/zinc/48/48/80/712484880.db2.gz BZVGLCBHSCNRTC-UHFFFAOYSA-N 1 2 246.314 1.684 20 0 BDADLO Cc1c[nH]nc1CSc1nc(N)cc(C)[nH+]1 ZINC000715455445 712519872 /nfs/dbraw/zinc/51/98/72/712519872.db2.gz JATPDFIPWTYLDA-UHFFFAOYSA-N 1 2 235.316 1.691 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535337 712526466 /nfs/dbraw/zinc/52/64/66/712526466.db2.gz DNQVECUZWQTWBL-HRDYMLBCSA-N 1 2 233.258 1.525 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715535337 712526467 /nfs/dbraw/zinc/52/64/67/712526467.db2.gz DNQVECUZWQTWBL-HRDYMLBCSA-N 1 2 233.258 1.525 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715539957 712526672 /nfs/dbraw/zinc/52/66/72/712526672.db2.gz NGPHYUGEZYTSOA-YIZRAAEISA-N 1 2 231.242 1.135 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715539957 712526673 /nfs/dbraw/zinc/52/66/73/712526673.db2.gz NGPHYUGEZYTSOA-YIZRAAEISA-N 1 2 231.242 1.135 20 0 BDADLO Cc1cc(C)c(C[NH2+][C@H](C)c2cn(C)nn2)cn1 ZINC000715850502 712536195 /nfs/dbraw/zinc/53/61/95/712536195.db2.gz JWDZNHJNEQLTAI-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1cn(C)nn1 ZINC000715863631 712537221 /nfs/dbraw/zinc/53/72/21/712537221.db2.gz YMVAALKCRJVXFP-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CCCn1cc([C@H](C)NC[C@H]2CC[N@@H+]2C)nn1 ZINC000715936691 712544344 /nfs/dbraw/zinc/54/43/44/712544344.db2.gz SBWQDPIKEGDIHF-WDEREUQCSA-N 1 2 237.351 1.043 20 0 BDADLO CCCn1cc([C@H](C)NC[C@H]2CC[N@H+]2C)nn1 ZINC000715936691 712544345 /nfs/dbraw/zinc/54/43/45/712544345.db2.gz SBWQDPIKEGDIHF-WDEREUQCSA-N 1 2 237.351 1.043 20 0 BDADLO Cc1nc(C[NH2+]CC2OCCCO2)cs1 ZINC000716390751 712558065 /nfs/dbraw/zinc/55/80/65/712558065.db2.gz DFUKMLBNLYKSOW-UHFFFAOYSA-N 1 2 228.317 1.304 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2ccn(C)n2)c1C ZINC000716463504 712563019 /nfs/dbraw/zinc/56/30/19/712563019.db2.gz CZNSOMMVMSDOCR-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO CC[C@@H](C[C@@H](C)O)Nc1cc[nH+]c(C)n1 ZINC000716874550 712579889 /nfs/dbraw/zinc/57/98/89/712579889.db2.gz VHNHWXYZDMVCSR-SCZZXKLOSA-N 1 2 209.293 1.746 20 0 BDADLO O=C(NOC1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000812788567 712586736 /nfs/dbraw/zinc/58/67/36/712586736.db2.gz PCUHXFROJPFTKE-SECBINFHSA-N 1 2 235.287 1.046 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000717219683 712640004 /nfs/dbraw/zinc/64/00/04/712640004.db2.gz NAYOBUFCDMAAKA-VPOLOUISSA-N 1 2 233.315 1.361 20 0 BDADLO CCCNc1cc(N2C[C@H](O)C[C@@H]2C)nc[nH+]1 ZINC000384866544 712703836 /nfs/dbraw/zinc/70/38/36/712703836.db2.gz PKEDLTQHPCMLLO-VHSXEESVSA-N 1 2 236.319 1.258 20 0 BDADLO CCCNc1cc(N2C[C@H](O)C[C@@H]2C)[nH+]cn1 ZINC000384866544 712703838 /nfs/dbraw/zinc/70/38/38/712703838.db2.gz PKEDLTQHPCMLLO-VHSXEESVSA-N 1 2 236.319 1.258 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142082 712713757 /nfs/dbraw/zinc/71/37/57/712713757.db2.gz KQJJRKKLABUCGL-ZJUUUORDSA-N 1 2 224.308 1.103 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142082 712713759 /nfs/dbraw/zinc/71/37/59/712713759.db2.gz KQJJRKKLABUCGL-ZJUUUORDSA-N 1 2 224.308 1.103 20 0 BDADLO Cc1coc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000718525403 712770668 /nfs/dbraw/zinc/77/06/68/712770668.db2.gz JMENGSXPMRSQRE-UHFFFAOYSA-N 1 2 219.244 1.215 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000719636084 712815184 /nfs/dbraw/zinc/81/51/84/712815184.db2.gz GFTBLUXGDYRQSM-GHMZBOCLSA-N 1 2 237.351 1.041 20 0 BDADLO Cc1nc(N2CCC[C@H](C(C)(C)O)C2)cc[nH+]1 ZINC000719670831 712818292 /nfs/dbraw/zinc/81/82/92/712818292.db2.gz SHDAOGCEMFCXQO-NSHDSACASA-N 1 2 235.331 1.772 20 0 BDADLO CNc1cc(N2CCC3(CCC3)C2)nc[nH+]1 ZINC000380295452 712861871 /nfs/dbraw/zinc/86/18/71/712861871.db2.gz GTQNDKWHRCPZLR-UHFFFAOYSA-N 1 2 218.304 1.899 20 0 BDADLO CNc1cc(N2CCC3(CCC3)C2)[nH+]cn1 ZINC000380295452 712861873 /nfs/dbraw/zinc/86/18/73/712861873.db2.gz GTQNDKWHRCPZLR-UHFFFAOYSA-N 1 2 218.304 1.899 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037986773 712896702 /nfs/dbraw/zinc/89/67/02/712896702.db2.gz RTHVEXCCHCAOMA-LLVKDONJSA-N 1 2 249.314 1.084 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037986773 712896703 /nfs/dbraw/zinc/89/67/03/712896703.db2.gz RTHVEXCCHCAOMA-LLVKDONJSA-N 1 2 249.314 1.084 20 0 BDADLO COC1(C)C[NH+](C[C@H](C)C(F)(F)F)C1 ZINC001208888017 957209668 /nfs/dbraw/zinc/20/96/68/957209668.db2.gz RDGHESIFNIJEKI-ZETCQYMHSA-N 1 2 211.227 1.906 20 0 BDADLO C/C=C(/C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001125436994 957923767 /nfs/dbraw/zinc/92/37/67/957923767.db2.gz BJDXUMVIOJLOPR-WTKPLQERSA-N 1 2 237.303 1.155 20 0 BDADLO CC(C)OCC[NH2+][C@H](C)c1csnn1 ZINC000398334675 958216068 /nfs/dbraw/zinc/21/60/68/958216068.db2.gz OQXXQUPVMCKRMH-MRVPVSSYSA-N 1 2 215.322 1.614 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2csc(Cl)c2)C1 ZINC000399934705 959212009 /nfs/dbraw/zinc/21/20/09/959212009.db2.gz YUFBUCBWNMTDBA-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2csc(Cl)c2)C1 ZINC000399934705 959212025 /nfs/dbraw/zinc/21/20/25/959212025.db2.gz YUFBUCBWNMTDBA-VIFPVBQESA-N 1 2 247.747 1.595 20 0 BDADLO O=C(C[C@H]1C=CCC1)NCC1C[NH+](CCF)C1 ZINC001267674555 960193072 /nfs/dbraw/zinc/19/30/72/960193072.db2.gz DGPGWOYARHXRGO-NSHDSACASA-N 1 2 240.322 1.360 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC001140684411 960495448 /nfs/dbraw/zinc/49/54/48/960495448.db2.gz LZEONWMXQVJIEK-LBPRGKRZSA-N 1 2 223.272 1.325 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC001140684411 960495463 /nfs/dbraw/zinc/49/54/63/960495463.db2.gz LZEONWMXQVJIEK-LBPRGKRZSA-N 1 2 223.272 1.325 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140888051 960666445 /nfs/dbraw/zinc/66/64/45/960666445.db2.gz LZNVUMNVPYJQCY-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140888051 960666472 /nfs/dbraw/zinc/66/64/72/960666472.db2.gz LZNVUMNVPYJQCY-SECBINFHSA-N 1 2 243.253 1.891 20 0 BDADLO C[C@]1(O)CCCC[N@H+](Cc2csnn2)C1 ZINC001140992455 960779777 /nfs/dbraw/zinc/77/97/77/960779777.db2.gz DETXJFKBRDAGJV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO C[C@]1(O)CCCC[N@@H+](Cc2csnn2)C1 ZINC001140992455 960779788 /nfs/dbraw/zinc/77/97/88/960779788.db2.gz DETXJFKBRDAGJV-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO F[C@@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC001140992708 960782525 /nfs/dbraw/zinc/78/25/25/960782525.db2.gz RJQYPUOTBJEHHM-MRVPVSSYSA-N 1 2 215.297 1.862 20 0 BDADLO F[C@@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC001140992708 960782538 /nfs/dbraw/zinc/78/25/38/960782538.db2.gz RJQYPUOTBJEHHM-MRVPVSSYSA-N 1 2 215.297 1.862 20 0 BDADLO CCCCc1[nH]c(CN2CCOC[C@@H]2C)c[nH+]1 ZINC001141067427 960864185 /nfs/dbraw/zinc/86/41/85/960864185.db2.gz BSOQAKWNNCHPCH-NSHDSACASA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]cc(CN2CCOC[C@@H]2C)[nH+]1 ZINC001141067427 960864187 /nfs/dbraw/zinc/86/41/87/960864187.db2.gz BSOQAKWNNCHPCH-NSHDSACASA-N 1 2 237.347 1.973 20 0 BDADLO COC(=O)[C@H](C)c1ccc(NC=[NH2+])nc1 ZINC001167864663 961331331 /nfs/dbraw/zinc/33/13/31/961331331.db2.gz IHYXSGUTQDZFDY-SSDOTTSWSA-N 1 2 207.233 1.377 20 0 BDADLO CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001142719006 961679149 /nfs/dbraw/zinc/67/91/49/961679149.db2.gz YAGYTYODHWCFLT-SNVBAGLBSA-N 1 2 246.301 1.728 20 0 BDADLO CC(C)N(CC1CC1)c1cc(N)nc[nH+]1 ZINC000087824421 961753670 /nfs/dbraw/zinc/75/36/70/961753670.db2.gz PAIXXOWHYWSMRO-UHFFFAOYSA-N 1 2 206.293 1.684 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001269189386 962508005 /nfs/dbraw/zinc/50/80/05/962508005.db2.gz UDKZCXQANIVWKM-HYYFJVDXSA-N 1 2 216.712 1.339 20 0 BDADLO CCC(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001269189386 962508034 /nfs/dbraw/zinc/50/80/34/962508034.db2.gz UDKZCXQANIVWKM-HYYFJVDXSA-N 1 2 216.712 1.339 20 0 BDADLO Cc1nc(NCC2COC2)cc(C(C)C)[nH+]1 ZINC001154632732 962818743 /nfs/dbraw/zinc/81/87/43/962818743.db2.gz YPWANMBFBXCQHA-UHFFFAOYSA-N 1 2 221.304 1.967 20 0 BDADLO Cc1nc(N(C)C)nc(NC2CC(F)C2)[nH+]1 ZINC001154834226 962864085 /nfs/dbraw/zinc/86/40/85/962864085.db2.gz OQTONXLCMNKBDV-UHFFFAOYSA-N 1 2 225.271 1.158 20 0 BDADLO CCN(CC)c1cc(N[C@H](C)CCO)[nH+]cn1 ZINC001156451577 963355850 /nfs/dbraw/zinc/35/58/50/963355850.db2.gz JYRGAFIGPOKFHK-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCN(CC)c1cc(N[C@H](C)CCO)nc[nH+]1 ZINC001156451577 963355857 /nfs/dbraw/zinc/35/58/57/963355857.db2.gz JYRGAFIGPOKFHK-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO Cc1c(F)cc[nH+]c1NCC1(O)CCOCC1 ZINC001156709902 963442352 /nfs/dbraw/zinc/44/23/52/963442352.db2.gz YLSOYXHBTOJIOI-UHFFFAOYSA-N 1 2 240.278 1.483 20 0 BDADLO CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001168132353 963820920 /nfs/dbraw/zinc/82/09/20/963820920.db2.gz ORDZHWNLTXCAJE-UHFFFAOYSA-N 1 2 206.293 1.286 20 0 BDADLO CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001168132353 963820926 /nfs/dbraw/zinc/82/09/26/963820926.db2.gz ORDZHWNLTXCAJE-UHFFFAOYSA-N 1 2 206.293 1.286 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C1CCC(C)CC1)[C@@H](C)O ZINC001168200541 963968592 /nfs/dbraw/zinc/96/85/92/963968592.db2.gz JLZZQFNUTFCVQQ-RSJDFQLWSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206676947 964644965 /nfs/dbraw/zinc/64/49/65/964644965.db2.gz WWCDGROCIRCRJB-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206676947 964644970 /nfs/dbraw/zinc/64/49/70/964644970.db2.gz WWCDGROCIRCRJB-NSHDSACASA-N 1 2 241.285 1.558 20 0 BDADLO CCCC[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)OC ZINC000699576342 965995262 /nfs/dbraw/zinc/99/52/62/965995262.db2.gz WROJEBZQSQLOPF-DCAQKATOSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@]1(O)CC[N@H+](Cc2cncc(F)c2Cl)C1 ZINC001235489956 966070796 /nfs/dbraw/zinc/07/07/96/966070796.db2.gz WIBTWFBCMVONEB-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO C[C@]1(O)CC[N@@H+](Cc2cncc(F)c2Cl)C1 ZINC001235489956 966070815 /nfs/dbraw/zinc/07/08/15/966070815.db2.gz WIBTWFBCMVONEB-NSHDSACASA-N 1 2 244.697 1.831 20 0 BDADLO CCN(CCC(N)=O)c1[nH+]c(C)ccc1OC ZINC001166588169 966308296 /nfs/dbraw/zinc/30/82/96/966308296.db2.gz PDTVIEVNWGXTLN-UHFFFAOYSA-N 1 2 237.303 1.100 20 0 BDADLO COC(CN(C)c1[nH+]ccc(F)c1C)OC ZINC001167031579 966526629 /nfs/dbraw/zinc/52/66/29/966526629.db2.gz ODKYHYZTEQUPOA-UHFFFAOYSA-N 1 2 228.267 1.584 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC001485574389 966616715 /nfs/dbraw/zinc/61/67/15/966616715.db2.gz RBQCJFBJSRDORA-NXEZZACHSA-N 1 2 248.317 1.531 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC001485574389 966616720 /nfs/dbraw/zinc/61/67/20/966616720.db2.gz RBQCJFBJSRDORA-NXEZZACHSA-N 1 2 248.317 1.531 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001204576327 967068857 /nfs/dbraw/zinc/06/88/57/967068857.db2.gz JPLWLMULRHXRNO-NWDGAFQWSA-N 1 2 241.310 1.023 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001204576327 967068875 /nfs/dbraw/zinc/06/88/75/967068875.db2.gz JPLWLMULRHXRNO-NWDGAFQWSA-N 1 2 241.310 1.023 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCCCC12COC2 ZINC001204588102 967079745 /nfs/dbraw/zinc/07/97/45/967079745.db2.gz ARHDYGKLFNRUFX-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCCCC12COC2 ZINC001204588102 967079752 /nfs/dbraw/zinc/07/97/52/967079752.db2.gz ARHDYGKLFNRUFX-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1F ZINC001250965318 968228442 /nfs/dbraw/zinc/22/84/42/968228442.db2.gz SNWFSQQHJUHDKW-DSYKOEDSSA-N 1 2 215.190 1.199 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1F ZINC001250965318 968228456 /nfs/dbraw/zinc/22/84/56/968228456.db2.gz SNWFSQQHJUHDKW-DSYKOEDSSA-N 1 2 215.190 1.199 20 0 BDADLO O=C1CCC[N@@H+](C[C@@H]2CCCOC2)C[C@H]1F ZINC001207460729 968777207 /nfs/dbraw/zinc/77/72/07/968777207.db2.gz GWXQYXBKYSULNJ-WDEREUQCSA-N 1 2 229.295 1.416 20 0 BDADLO O=C1CCC[N@H+](C[C@@H]2CCCOC2)C[C@H]1F ZINC001207460729 968777215 /nfs/dbraw/zinc/77/72/15/968777215.db2.gz GWXQYXBKYSULNJ-WDEREUQCSA-N 1 2 229.295 1.416 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085769438 968849633 /nfs/dbraw/zinc/84/96/33/968849633.db2.gz JAIZBZIETMKJLY-AXFHLTTASA-N 1 2 228.311 1.145 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085769438 968849640 /nfs/dbraw/zinc/84/96/40/968849640.db2.gz JAIZBZIETMKJLY-AXFHLTTASA-N 1 2 228.311 1.145 20 0 BDADLO COc1cc[nH+]cc1NC[C@H](O)COC(C)C ZINC001252666970 968900661 /nfs/dbraw/zinc/90/06/61/968900661.db2.gz IRSYINBENNJVOJ-JTQLQIEISA-N 1 2 240.303 1.288 20 0 BDADLO CC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CCOCC1 ZINC001207969377 968967553 /nfs/dbraw/zinc/96/75/53/968967553.db2.gz HHNAGCNRBIZXLW-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)CCOCC1 ZINC001207969377 968967562 /nfs/dbraw/zinc/96/75/62/968967562.db2.gz HHNAGCNRBIZXLW-JTQLQIEISA-N 1 2 249.301 1.505 20 0 BDADLO CC(=O)NC1C[NH+](C[C@H](C)C(F)(F)F)C1 ZINC001208894433 969283950 /nfs/dbraw/zinc/28/39/50/969283950.db2.gz SJYSHWJHTSQQNX-LURJTMIESA-N 1 2 224.226 1.005 20 0 BDADLO CCC(=O)C(C)(C)C[N@@H+]1CCO[C@@H](C(C)=O)C1 ZINC001208921320 969305276 /nfs/dbraw/zinc/30/52/76/969305276.db2.gz AWCRDMRJMJTXAA-LLVKDONJSA-N 1 2 241.331 1.282 20 0 BDADLO CCC(=O)C(C)(C)C[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001208921320 969305280 /nfs/dbraw/zinc/30/52/80/969305280.db2.gz AWCRDMRJMJTXAA-LLVKDONJSA-N 1 2 241.331 1.282 20 0 BDADLO CCOC(=O)CC[NH+]1CC(OC(C)C)C1 ZINC001209037059 969329129 /nfs/dbraw/zinc/32/91/29/969329129.db2.gz WSTVHFYBOWZLDF-UHFFFAOYSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001209554793 969537279 /nfs/dbraw/zinc/53/72/79/969537279.db2.gz NRGUPQLWKOTAJY-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001209554793 969537285 /nfs/dbraw/zinc/53/72/85/969537285.db2.gz NRGUPQLWKOTAJY-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001169462380 969660586 /nfs/dbraw/zinc/66/05/86/969660586.db2.gz FJWQXJDQGFXYOZ-GMTAPVOTSA-N 1 2 248.317 1.625 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCSCC1 ZINC001255087518 969922545 /nfs/dbraw/zinc/92/25/45/969922545.db2.gz DJWSEUOCSXKOCA-WPRPVWTQSA-N 1 2 247.335 1.467 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCSCC1 ZINC001255087518 969922550 /nfs/dbraw/zinc/92/25/50/969922550.db2.gz DJWSEUOCSXKOCA-WPRPVWTQSA-N 1 2 247.335 1.467 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@@H+]1[C@@H]1CCSC1 ZINC001255282599 970037458 /nfs/dbraw/zinc/03/74/58/970037458.db2.gz RQEJMPYPQHALAX-RKDXNWHRSA-N 1 2 237.315 1.584 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@H+]1[C@@H]1CCSC1 ZINC001255282599 970037469 /nfs/dbraw/zinc/03/74/69/970037469.db2.gz RQEJMPYPQHALAX-RKDXNWHRSA-N 1 2 237.315 1.584 20 0 BDADLO FC1(C2CC2)C[NH+]([C@H]2CCSC2)C1 ZINC001255282585 970038822 /nfs/dbraw/zinc/03/88/22/970038822.db2.gz RIPDGYBQOWWABX-VIFPVBQESA-N 1 2 201.310 1.926 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CCOCC(F)(F)C2)CCO1 ZINC001255535957 970302412 /nfs/dbraw/zinc/30/24/12/970302412.db2.gz OEXPBEUXXHJCNH-SNVBAGLBSA-N 1 2 249.301 1.912 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CCOCC(F)(F)C2)CCO1 ZINC001255535957 970302427 /nfs/dbraw/zinc/30/24/27/970302427.db2.gz OEXPBEUXXHJCNH-SNVBAGLBSA-N 1 2 249.301 1.912 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC001170105557 970305221 /nfs/dbraw/zinc/30/52/21/970305221.db2.gz RMNQPJGQJILQBB-UWVGGRQHSA-N 1 2 211.305 1.860 20 0 BDADLO CC1(C)C[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001255547233 970319567 /nfs/dbraw/zinc/31/95/67/970319567.db2.gz STUWTRMCBZBGBM-ZJUUUORDSA-N 1 2 249.301 1.646 20 0 BDADLO CC1(C)C[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)CCO1 ZINC001255547233 970319578 /nfs/dbraw/zinc/31/95/78/970319578.db2.gz STUWTRMCBZBGBM-ZJUUUORDSA-N 1 2 249.301 1.646 20 0 BDADLO COC[C@H](C)[NH2+]C1(C(=O)OC)CCCCC1 ZINC001255554516 970332025 /nfs/dbraw/zinc/33/20/25/970332025.db2.gz NLVOUQKQFGOIIG-JTQLQIEISA-N 1 2 229.320 1.487 20 0 BDADLO COC[C@@H](C)[NH2+]C1(c2ncccn2)CC1 ZINC001255563527 970350876 /nfs/dbraw/zinc/35/08/76/970350876.db2.gz VWZVXYBFIAEEJN-SECBINFHSA-N 1 2 207.277 1.090 20 0 BDADLO C[C@H](CC(F)(F)F)[NH+]1CCN(C)CC1 ZINC001255647379 970426507 /nfs/dbraw/zinc/42/65/07/970426507.db2.gz WRRLZMMCCGOASR-MRVPVSSYSA-N 1 2 210.243 1.575 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CCn2ncnc2C1 ZINC001255646810 970425875 /nfs/dbraw/zinc/42/58/75/970425875.db2.gz QGMJVYVLEVREII-SSDOTTSWSA-N 1 2 234.225 1.435 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CCn2ncnc2C1 ZINC001255646810 970425881 /nfs/dbraw/zinc/42/58/81/970425881.db2.gz QGMJVYVLEVREII-SSDOTTSWSA-N 1 2 234.225 1.435 20 0 BDADLO Cc1cc(CO[NH+]=C(N)CCO)cs1 ZINC001333150330 975511756 /nfs/dbraw/zinc/51/17/56/975511756.db2.gz XNQKDPHZCNDABN-UHFFFAOYSA-N 1 2 214.290 1.437 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1ncn[nH]1)[C@@H](CO)C(C)C ZINC001333605074 975889929 /nfs/dbraw/zinc/88/99/29/975889929.db2.gz KJSDURRLSALIKJ-CMPLNLGQSA-N 1 2 240.351 1.183 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCC1 ZINC001335774301 977273165 /nfs/dbraw/zinc/27/31/65/977273165.db2.gz KTNFGAIKNVXKLP-ZJUUUORDSA-N 1 2 221.304 1.749 20 0 BDADLO FC1(F)CO[C@H]2C[N@H+](Cc3ccns3)C[C@H]21 ZINC001232188545 977908293 /nfs/dbraw/zinc/90/82/93/977908293.db2.gz DVTSRGMQWANGGE-BDAKNGLRSA-N 1 2 246.282 1.609 20 0 BDADLO FC1(F)CO[C@H]2C[N@@H+](Cc3ccns3)C[C@H]21 ZINC001232188545 977908304 /nfs/dbraw/zinc/90/83/04/977908304.db2.gz DVTSRGMQWANGGE-BDAKNGLRSA-N 1 2 246.282 1.609 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)s1 ZINC001232242574 977970644 /nfs/dbraw/zinc/97/06/44/977970644.db2.gz MTXMJXNBIOSWAN-KCJUWKMLSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)s1 ZINC001232242574 977970659 /nfs/dbraw/zinc/97/06/59/977970659.db2.gz MTXMJXNBIOSWAN-KCJUWKMLSA-N 1 2 241.360 1.439 20 0 BDADLO FC(F)C1C[NH+](Cc2[nH]nc3c2CCC3)C1 ZINC001232432343 978080249 /nfs/dbraw/zinc/08/02/49/978080249.db2.gz ZGAGTZYGMHWSAP-UHFFFAOYSA-N 1 2 227.258 1.595 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@@H]2C2CC2)c[nH+]1 ZINC001232465375 978106313 /nfs/dbraw/zinc/10/63/13/978106313.db2.gz KMPGTEYAXMBMQE-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]cc(CN2CCOC[C@@H]2C2CC2)[nH+]1 ZINC001232465375 978106326 /nfs/dbraw/zinc/10/63/26/978106326.db2.gz KMPGTEYAXMBMQE-GFCCVEGCSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cncs2)c[nH+]1 ZINC001232466491 978117026 /nfs/dbraw/zinc/11/70/26/978117026.db2.gz YXDKQYABJVOKET-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2cncs2)[nH+]1 ZINC001232466491 978117031 /nfs/dbraw/zinc/11/70/31/978117031.db2.gz YXDKQYABJVOKET-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1cc(F)cc(NCC[S@](C)=O)[nH+]1 ZINC001337781352 978492636 /nfs/dbraw/zinc/49/26/36/978492636.db2.gz FVCKQXAOCUPWNE-AWEZNQCLSA-N 1 2 216.281 1.320 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCC2(C1)OCCO2 ZINC001233320885 978556938 /nfs/dbraw/zinc/55/69/38/978556938.db2.gz RDZNDLDOKGVFDW-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO Cc1cnsc1C[N@H+]1CCC2(C1)OCCO2 ZINC001233320885 978556942 /nfs/dbraw/zinc/55/69/42/978556942.db2.gz RDZNDLDOKGVFDW-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncc(Cl)n2)CC[C@H]1O ZINC001233446965 978602903 /nfs/dbraw/zinc/60/29/03/978602903.db2.gz PHMPCCPWYJETBA-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncc(Cl)n2)CC[C@H]1O ZINC001233446965 978602906 /nfs/dbraw/zinc/60/29/06/978602906.db2.gz PHMPCCPWYJETBA-WCBMZHEXSA-N 1 2 241.722 1.333 20 0 BDADLO CCOC(C)(C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001338566375 978709371 /nfs/dbraw/zinc/70/93/71/978709371.db2.gz ULAMTQCOUSSBHH-JTQLQIEISA-N 1 2 239.319 1.375 20 0 BDADLO Cc1cc(OC2C[NH+](C)C2)cnc1OC(C)C ZINC001234277957 978810561 /nfs/dbraw/zinc/81/05/61/978810561.db2.gz PDONNYXSASPVSH-UHFFFAOYSA-N 1 2 236.315 1.870 20 0 BDADLO CCOC(=[NH2+])c1ccc(OC2COC2)cc1 ZINC001234586506 978864826 /nfs/dbraw/zinc/86/48/26/978864826.db2.gz WHXMSXFXXOCSOR-UHFFFAOYSA-N 1 2 221.256 1.826 20 0 BDADLO Cc1nc(C)c(NC(=O)C[C@@H]([NH3+])C(F)F)s1 ZINC001340744603 979083995 /nfs/dbraw/zinc/08/39/95/979083995.db2.gz AGEMGMZMPLFOJW-ZCFIWIBFSA-N 1 2 249.286 1.681 20 0 BDADLO Cc1c[nH]c(CCNC(=O)[C@@H]2C[C@@]2(F)Cl)[nH+]1 ZINC001181669232 979240023 /nfs/dbraw/zinc/24/00/23/979240023.db2.gz SQVOXKFLBXWSRE-XVKPBYJWSA-N 1 2 245.685 1.301 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1c(F)ccc(N)c1F ZINC001237109360 979819369 /nfs/dbraw/zinc/81/93/69/979819369.db2.gz YQBGOCGFTXFUBK-MRVPVSSYSA-N 1 2 242.269 1.768 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1c(F)ccc(N)c1F ZINC001237109360 979819372 /nfs/dbraw/zinc/81/93/72/979819372.db2.gz YQBGOCGFTXFUBK-MRVPVSSYSA-N 1 2 242.269 1.768 20 0 BDADLO C[NH+](CCC[N@@H+](C)CC(=O)[O-])Cc1ccco1 ZINC001606121937 979957491 /nfs/dbraw/zinc/95/74/91/979957491.db2.gz XAOSZJYYJKDFFQ-UHFFFAOYSA-N 1 2 240.303 1.118 20 0 BDADLO C[NH+](CCC[N@H+](C)CC(=O)[O-])Cc1ccco1 ZINC001606121937 979957496 /nfs/dbraw/zinc/95/74/96/979957496.db2.gz XAOSZJYYJKDFFQ-UHFFFAOYSA-N 1 2 240.303 1.118 20 0 BDADLO C[NH+](CCC[N@H+](C)Cc1ccco1)CC(=O)[O-] ZINC001606121937 979957500 /nfs/dbraw/zinc/95/75/00/979957500.db2.gz XAOSZJYYJKDFFQ-UHFFFAOYSA-N 1 2 240.303 1.118 20 0 BDADLO C[NH+](CCC[N@@H+](C)Cc1ccco1)CC(=O)[O-] ZINC001606121937 979957505 /nfs/dbraw/zinc/95/75/05/979957505.db2.gz XAOSZJYYJKDFFQ-UHFFFAOYSA-N 1 2 240.303 1.118 20 0 BDADLO CCc1[nH]ncc1C[N@H+](C)[C@@H]1CCCOC1 ZINC001237653117 980014493 /nfs/dbraw/zinc/01/44/93/980014493.db2.gz CQQGGQQGBWBTRI-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC001237653117 980014504 /nfs/dbraw/zinc/01/45/04/980014504.db2.gz CQQGGQQGBWBTRI-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCC[C@@H](OC)C1 ZINC001237651862 980009720 /nfs/dbraw/zinc/00/97/20/980009720.db2.gz MGDUZFPIWMGIGH-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCC[C@@H](OC)C1 ZINC001237651862 980009728 /nfs/dbraw/zinc/00/97/28/980009728.db2.gz MGDUZFPIWMGIGH-LLVKDONJSA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001237654175 980019473 /nfs/dbraw/zinc/01/94/73/980019473.db2.gz YJAVCMFBHNLNSB-SNVBAGLBSA-N 1 2 221.304 1.383 20 0 BDADLO Cc1ccc(O)cc1C[NH+]1CC(C)(O)C1 ZINC001238092153 980141749 /nfs/dbraw/zinc/14/17/49/980141749.db2.gz FSHKRGBENIHBBM-UHFFFAOYSA-N 1 2 207.273 1.267 20 0 BDADLO CC(C)=CCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001343558935 980150937 /nfs/dbraw/zinc/15/09/37/980150937.db2.gz FWORMIJBHSXPRD-NSHDSACASA-N 1 2 221.304 1.917 20 0 BDADLO COc1ccc(C[NH+]2CCC2)c(F)c1O ZINC001238367087 980243869 /nfs/dbraw/zinc/24/38/69/980243869.db2.gz WEMLCAUWDZRURV-UHFFFAOYSA-N 1 2 211.236 1.746 20 0 BDADLO CCC1(O)CC[NH+](CC(=O)OC(C)C)CC1 ZINC000075858562 980598183 /nfs/dbraw/zinc/59/81/83/980598183.db2.gz PGWVUHBGJIFTNC-UHFFFAOYSA-N 1 2 229.320 1.175 20 0 BDADLO CCc1cn(CC(=O)c2cnccn2)c[nH+]1 ZINC001190103432 980845527 /nfs/dbraw/zinc/84/55/27/980845527.db2.gz KXBWKHZYQAIMPI-UHFFFAOYSA-N 1 2 216.244 1.118 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@H]2C=CCCC2)n1 ZINC001347355205 981054931 /nfs/dbraw/zinc/05/49/31/981054931.db2.gz BKXXXAFLYYUAAH-SNVBAGLBSA-N 1 2 235.335 1.626 20 0 BDADLO COC[C@H]([NH2+]CC1=NOCC1)c1ccco1 ZINC001193224709 981270870 /nfs/dbraw/zinc/27/08/70/981270870.db2.gz MXXZSGNUSALRIB-JTQLQIEISA-N 1 2 224.260 1.333 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC1(C)C ZINC001348841059 981456810 /nfs/dbraw/zinc/45/68/10/981456810.db2.gz CKBUGCFKTUGIHB-SNVBAGLBSA-N 1 2 235.331 1.515 20 0 BDADLO CCC[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195382954 982245070 /nfs/dbraw/zinc/24/50/70/982245070.db2.gz JWMCSRBJPSTRAO-LBPRGKRZSA-N 1 2 244.354 1.926 20 0 BDADLO CCC[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195382954 982245083 /nfs/dbraw/zinc/24/50/83/982245083.db2.gz JWMCSRBJPSTRAO-LBPRGKRZSA-N 1 2 244.354 1.926 20 0 BDADLO Fc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccn1 ZINC001351409999 982317042 /nfs/dbraw/zinc/31/70/42/982317042.db2.gz ZUFCQZGMKVKEAI-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO Fc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccn1 ZINC001351409999 982317053 /nfs/dbraw/zinc/31/70/53/982317053.db2.gz ZUFCQZGMKVKEAI-DTORHVGOSA-N 1 2 228.217 1.918 20 0 BDADLO C[C@H]([NH3+])CONC(=O)C(C)(C)c1ccccc1 ZINC001354048496 983125807 /nfs/dbraw/zinc/12/58/07/983125807.db2.gz ZVVMXFFNFDBPCX-JTQLQIEISA-N 1 2 236.315 1.359 20 0 BDADLO Cc1cc(F)cc(NCCOC(=O)N(C)C)[nH+]1 ZINC001354238105 983214652 /nfs/dbraw/zinc/21/46/52/983214652.db2.gz RUMLLIVYIBKINJ-UHFFFAOYSA-N 1 2 241.266 1.639 20 0 BDADLO Cc1cnc(-c2c[nH+]c(N)cc2C)cn1 ZINC001242067344 983295606 /nfs/dbraw/zinc/29/56/06/983295606.db2.gz AIYZJIRMDHUCOV-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@@H+]1C[C@@H]1CCOC1 ZINC001202464871 983671365 /nfs/dbraw/zinc/67/13/65/983671365.db2.gz POKDHFQUYUPQET-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO OC[C@H]1CCC(F)(F)C[N@H+]1C[C@@H]1CCOC1 ZINC001202464871 983671369 /nfs/dbraw/zinc/67/13/69/983671369.db2.gz POKDHFQUYUPQET-VHSXEESVSA-N 1 2 235.274 1.115 20 0 BDADLO CC(C)OCC[C@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001172453923 974816803 /nfs/dbraw/zinc/81/68/03/974816803.db2.gz HLGVZZJRAQPFFC-AVGNSLFASA-N 1 2 226.364 1.578 20 0 BDADLO Oc1ccc(C[NH+]2CC(C(F)F)C2)nc1 ZINC001144269075 972729706 /nfs/dbraw/zinc/72/97/06/972729706.db2.gz AEUZPRARWIXTHK-UHFFFAOYSA-N 1 2 214.215 1.484 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC/C=C\C1CC1 ZINC001327899590 972799085 /nfs/dbraw/zinc/79/90/85/972799085.db2.gz DFPFINUYZOYEFQ-UPHRSURJSA-N 1 2 219.288 1.356 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)nc1 ZINC001144419659 972815452 /nfs/dbraw/zinc/81/54/52/972815452.db2.gz CRDUSBYMFIVKCY-SKDRFNHKSA-N 1 2 224.279 1.880 20 0 BDADLO C[C@H](C(=O)N1COCC1(C)C)n1cc[nH+]c1 ZINC001328680246 973268730 /nfs/dbraw/zinc/26/87/30/973268730.db2.gz XDAKRDPFSPGABO-SECBINFHSA-N 1 2 223.276 1.039 20 0 BDADLO Cc1nc2cc(-c3ccc[nH+]c3N)ccn2n1 ZINC001243476917 970769759 /nfs/dbraw/zinc/76/97/59/970769759.db2.gz WEPBEAUGVTYISZ-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO CCCCOC(=O)C[N@H+](CC)[C@@H]1CCCOC1 ZINC000402632622 970809776 /nfs/dbraw/zinc/80/97/76/970809776.db2.gz ZWTWKZMNAIOGJD-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@@H+](CC)[C@@H]1CCCOC1 ZINC000402632622 970809779 /nfs/dbraw/zinc/80/97/79/970809779.db2.gz ZWTWKZMNAIOGJD-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256415598 970823914 /nfs/dbraw/zinc/82/39/14/970823914.db2.gz XDIHZNLJMAWEGN-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256415598 970823917 /nfs/dbraw/zinc/82/39/17/970823917.db2.gz XDIHZNLJMAWEGN-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO COC(=O)C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256634667 970898028 /nfs/dbraw/zinc/89/80/28/970898028.db2.gz NREZCORMVKTKRX-LLVKDONJSA-N 1 2 249.310 1.315 20 0 BDADLO COc1ccc(Nc2[nH+]cccc2N)cc1N ZINC001216254337 971002876 /nfs/dbraw/zinc/00/28/76/971002876.db2.gz IEIKZWDQIIINRN-UHFFFAOYSA-N 1 2 230.271 1.998 20 0 BDADLO c1nncn1CCNc1cc2ccccc2c[nH+]1 ZINC001158031367 971033082 /nfs/dbraw/zinc/03/30/82/971033082.db2.gz ADYSKRWSKUKEKU-UHFFFAOYSA-N 1 2 239.282 1.938 20 0 BDADLO COC(=O)c1nc(C2=C[NH2+]CCC2)cnc1C ZINC001243947270 971034659 /nfs/dbraw/zinc/03/46/59/971034659.db2.gz GCIXPBANCALMAY-UHFFFAOYSA-N 1 2 233.271 1.296 20 0 BDADLO COc1cc(OC)nc(C2=C[NH2+]CCC2)c1 ZINC001243946890 971036533 /nfs/dbraw/zinc/03/65/33/971036533.db2.gz AAHWINFCCVGJMZ-UHFFFAOYSA-N 1 2 220.272 1.823 20 0 BDADLO C/C=C\[C@@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001148505622 973852249 /nfs/dbraw/zinc/85/22/49/973852249.db2.gz MRQHVGBFNLBFRY-MXQLGCADSA-N 1 2 231.255 1.210 20 0 BDADLO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(=O)CC2)C1 ZINC001257053425 971077185 /nfs/dbraw/zinc/07/71/85/971077185.db2.gz WZYCUQJTYDGZCN-GHMZBOCLSA-N 1 2 239.315 1.383 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(/C)C(=O)OC)[C@@H](C)CO1 ZINC000403914898 971089899 /nfs/dbraw/zinc/08/98/99/971089899.db2.gz CFJNSHUZPVRBHR-RPGNDLBOSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)OC)[C@@H](C)CO1 ZINC000403914898 971089909 /nfs/dbraw/zinc/08/99/09/971089909.db2.gz CFJNSHUZPVRBHR-RPGNDLBOSA-N 1 2 241.331 1.605 20 0 BDADLO CN(C)c1ccc(NC2=CCCOC2)c[nH+]1 ZINC001216504719 971100337 /nfs/dbraw/zinc/10/03/37/971100337.db2.gz NRNHLASJFPBQSV-UHFFFAOYSA-N 1 2 219.288 1.864 20 0 BDADLO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)C[C@H](C)O1 ZINC001257100527 971114217 /nfs/dbraw/zinc/11/42/17/971114217.db2.gz XJWYZFAKAZMDCK-LMLFDSFASA-N 1 2 249.301 1.644 20 0 BDADLO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)C[C@H](C)O1 ZINC001257100527 971114222 /nfs/dbraw/zinc/11/42/22/971114222.db2.gz XJWYZFAKAZMDCK-LMLFDSFASA-N 1 2 249.301 1.644 20 0 BDADLO CCC[C@@H](CC)[N@@H+]1CCOC[C@]1(C)C(=O)OC ZINC001257268212 971171463 /nfs/dbraw/zinc/17/14/63/971171463.db2.gz DXRZBRNRCMOCBH-DGCLKSJQSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H](CC)[N@H+]1CCOC[C@]1(C)C(=O)OC ZINC001257268212 971171467 /nfs/dbraw/zinc/17/14/67/971171467.db2.gz DXRZBRNRCMOCBH-DGCLKSJQSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@@H](C)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001257307790 971197150 /nfs/dbraw/zinc/19/71/50/971197150.db2.gz UXMGSKVAHXHJIQ-ZJUUUORDSA-N 1 2 245.319 1.259 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001170569264 971204563 /nfs/dbraw/zinc/20/45/63/971204563.db2.gz ICLPNGZMVSGAEM-GHMZBOCLSA-N 1 2 249.314 1.040 20 0 BDADLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCn3nccc3C2)C1 ZINC001170569264 971204569 /nfs/dbraw/zinc/20/45/69/971204569.db2.gz ICLPNGZMVSGAEM-GHMZBOCLSA-N 1 2 249.314 1.040 20 0 BDADLO Cc1coc(C(=O)NCc2[nH]c[nH+]c2C)c1C ZINC001257445202 971360132 /nfs/dbraw/zinc/36/01/32/971360132.db2.gz VPEALKMLCDMNMR-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nnc([C@@H]2C[C@H]2C)o1 ZINC001217730574 971371703 /nfs/dbraw/zinc/37/17/03/971371703.db2.gz VCFVYJHVWHVAAM-GCXDCGAKSA-N 1 2 239.275 1.144 20 0 BDADLO OC[C@H](c1nnc(C2CCCC2)o1)n1cc[nH+]c1 ZINC001257525607 971447102 /nfs/dbraw/zinc/44/71/02/971447102.db2.gz YVCMSMCFDYYCGT-SNVBAGLBSA-N 1 2 248.286 1.505 20 0 BDADLO C[C@@H]1C[C@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001257937321 971545523 /nfs/dbraw/zinc/54/55/23/971545523.db2.gz JNXWOUZHCXNDOI-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO COC(=O)[C@@H](CO)[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC001258053884 971577572 /nfs/dbraw/zinc/57/75/72/971577572.db2.gz XIYDANMMNKZYOU-QJPTWQEYSA-N 1 2 245.363 1.571 20 0 BDADLO CCc1ccc(O[C@@H]2C[NH2+]CC2(F)F)nc1 ZINC001218236067 971647385 /nfs/dbraw/zinc/64/73/85/971647385.db2.gz FVEXBDZURKOETM-SECBINFHSA-N 1 2 228.242 1.630 20 0 BDADLO COC[C@@H](C)OC[C@H](C)Oc1cc[nH+]cc1 ZINC001225296197 974373124 /nfs/dbraw/zinc/37/31/24/974373124.db2.gz QPZUBNBGOLZYAC-MNOVXSKESA-N 1 2 225.288 1.900 20 0 BDADLO O[C@H]1C[C@@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001218422087 971798383 /nfs/dbraw/zinc/79/83/83/971798383.db2.gz GMUJHSKJGYVEFC-KLPPZKSPSA-N 1 2 230.267 1.979 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCCOCC2)CC1 ZINC001170775301 971802067 /nfs/dbraw/zinc/80/20/67/971802067.db2.gz JMZWROBBJSFBGZ-JTQLQIEISA-N 1 2 227.304 1.241 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001172322984 974532381 /nfs/dbraw/zinc/53/23/81/974532381.db2.gz ZPAQWZAPIIMTLH-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H](C)O)CCCCC1 ZINC000309988648 971910394 /nfs/dbraw/zinc/91/03/94/971910394.db2.gz ZLLWSNSFYGNRMN-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO CC[C@H](C)OCC[C@H](C)[NH+]1CC(OC(C)=O)C1 ZINC001172340570 974608590 /nfs/dbraw/zinc/60/85/90/974608590.db2.gz KNQSWSQCQZMUJF-QWRGUYRKSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@@H](c1cccc(O)c1)n1[nH]c(C[NH3+])cc1=O ZINC001245924223 972100371 /nfs/dbraw/zinc/10/03/71/972100371.db2.gz NQWOLXHDBOIWIP-QMMMGPOBSA-N 1 2 233.271 1.362 20 0 BDADLO O=C([C@@H]1CC12CC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001136638314 972219567 /nfs/dbraw/zinc/21/95/67/972219567.db2.gz VWYRJLOLWRWVFK-RYUDHWBXSA-N 1 2 245.326 1.847 20 0 BDADLO Cc1ccc(-c2nnc([C@@H]([NH3+])CO)o2)cc1 ZINC000396455633 956871202 /nfs/dbraw/zinc/87/12/02/956871202.db2.gz MJEWDUMOXDDXPI-VIFPVBQESA-N 1 2 219.244 1.037 20 0 BDADLO C[C@@H]1CC(C[N@@H+]2CCC(=O)C2)C[C@@H](C)O1 ZINC000724473896 957016107 /nfs/dbraw/zinc/01/61/07/957016107.db2.gz FYFNPGSVIGXPKA-NXEZZACHSA-N 1 2 211.305 1.465 20 0 BDADLO C[C@@H]1CC(C[N@H+]2CCC(=O)C2)C[C@@H](C)O1 ZINC000724473896 957016121 /nfs/dbraw/zinc/01/61/21/957016121.db2.gz FYFNPGSVIGXPKA-NXEZZACHSA-N 1 2 211.305 1.465 20 0 BDADLO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167789 957051450 /nfs/dbraw/zinc/05/14/50/957051450.db2.gz GSMKKFSOAFYIID-CYDGBPFRSA-N 1 2 235.327 1.979 20 0 BDADLO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167789 957051464 /nfs/dbraw/zinc/05/14/64/957051464.db2.gz GSMKKFSOAFYIID-CYDGBPFRSA-N 1 2 235.327 1.979 20 0 BDADLO CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167793 957055050 /nfs/dbraw/zinc/05/50/50/957055050.db2.gz GSMKKFSOAFYIID-RNJOBUHISA-N 1 2 235.327 1.979 20 0 BDADLO CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001208167793 957055059 /nfs/dbraw/zinc/05/50/59/957055059.db2.gz GSMKKFSOAFYIID-RNJOBUHISA-N 1 2 235.327 1.979 20 0 BDADLO COCCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001209053953 957302437 /nfs/dbraw/zinc/30/24/37/957302437.db2.gz UCFOJBSRJJUSME-CYBMUJFWSA-N 1 2 236.315 1.491 20 0 BDADLO COCCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001209053953 957302447 /nfs/dbraw/zinc/30/24/47/957302447.db2.gz UCFOJBSRJJUSME-CYBMUJFWSA-N 1 2 236.315 1.491 20 0 BDADLO COCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209213652 957355951 /nfs/dbraw/zinc/35/59/51/957355951.db2.gz DTNABOIOWFMDSU-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO COCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209213652 957355965 /nfs/dbraw/zinc/35/59/65/957355965.db2.gz DTNABOIOWFMDSU-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)[nH]1 ZINC001209570578 957509595 /nfs/dbraw/zinc/50/95/95/957509595.db2.gz PWGOYFMQQGZIKZ-GHMZBOCLSA-N 1 2 212.268 1.228 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)[nH]1 ZINC001209570578 957509601 /nfs/dbraw/zinc/50/96/01/957509601.db2.gz PWGOYFMQQGZIKZ-GHMZBOCLSA-N 1 2 212.268 1.228 20 0 BDADLO COCc1cc[nH+]c(N2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001167222474 957555444 /nfs/dbraw/zinc/55/54/44/957555444.db2.gz RAKMHJDPNDGTHD-CNDDSTCGSA-N 1 2 236.290 1.880 20 0 BDADLO c1ncc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)[nH]1 ZINC001136866335 972280311 /nfs/dbraw/zinc/28/03/11/972280311.db2.gz RPRGKFQBEMYTEJ-PWSUYJOCSA-N 1 2 221.304 1.411 20 0 BDADLO c1cnc2c(c1)CC[C@H]2OCC[NH+]1CCOCC1 ZINC001210207195 957670496 /nfs/dbraw/zinc/67/04/96/957670496.db2.gz MMKWXYNUJZPRAN-CYBMUJFWSA-N 1 2 248.326 1.418 20 0 BDADLO CCN(C)c1cc(NCc2cccnn2)[nH+]cn1 ZINC001167320929 957750278 /nfs/dbraw/zinc/75/02/78/957750278.db2.gz BDRXFTNLGBXOOF-UHFFFAOYSA-N 1 2 244.302 1.335 20 0 BDADLO CCN(C)c1cc(NCc2cccnn2)nc[nH+]1 ZINC001167320929 957750280 /nfs/dbraw/zinc/75/02/80/957750280.db2.gz BDRXFTNLGBXOOF-UHFFFAOYSA-N 1 2 244.302 1.335 20 0 BDADLO O=C([O-])[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000080991830 957770582 /nfs/dbraw/zinc/77/05/82/957770582.db2.gz BDAVBXXLSQWLIN-LLVKDONJSA-N 1 2 237.303 1.212 20 0 BDADLO O=C([O-])[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1 ZINC000080991830 957770590 /nfs/dbraw/zinc/77/05/90/957770590.db2.gz BDAVBXXLSQWLIN-LLVKDONJSA-N 1 2 237.303 1.212 20 0 BDADLO CCOC(=O)C[N@H+](C)[C@H](C)CSCC ZINC000706398891 957813499 /nfs/dbraw/zinc/81/34/99/957813499.db2.gz FQLXOIVTFHRUAQ-SECBINFHSA-N 1 2 219.350 1.623 20 0 BDADLO CCOC(=O)C[N@@H+](C)[C@H](C)CSCC ZINC000706398891 957813503 /nfs/dbraw/zinc/81/35/03/957813503.db2.gz FQLXOIVTFHRUAQ-SECBINFHSA-N 1 2 219.350 1.623 20 0 BDADLO O[C@H]1CCCCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207049604 957857877 /nfs/dbraw/zinc/85/78/77/957857877.db2.gz YXFMAXNEXYZBLT-ZDUSSCGKSA-N 1 2 245.326 1.681 20 0 BDADLO O=C(CC[N@H+]1CC[C@@H](F)C1)NOCC1CCC1 ZINC001167369082 957909052 /nfs/dbraw/zinc/90/90/52/957909052.db2.gz POWWPDHYAXOZDY-LLVKDONJSA-N 1 2 244.310 1.268 20 0 BDADLO NC(=O)C1C[NH+](Cc2nc3ccccc3s2)C1 ZINC001136954984 972303308 /nfs/dbraw/zinc/30/33/08/972303308.db2.gz MYAOTDCGKSWSLL-UHFFFAOYSA-N 1 2 247.323 1.213 20 0 BDADLO CCOCC[C@H](C)[NH2+]CC(=O)OC(C)C ZINC001172407335 974665418 /nfs/dbraw/zinc/66/54/18/974665418.db2.gz WBOFWRDKNITYNM-JTQLQIEISA-N 1 2 217.309 1.343 20 0 BDADLO CNc1ccc(N[C@](C)(C(N)=O)C(C)C)c[nH+]1 ZINC001167415617 958045107 /nfs/dbraw/zinc/04/51/07/958045107.db2.gz WCOUJQLYPFDHJW-LBPRGKRZSA-N 1 2 236.319 1.435 20 0 BDADLO C[C@H](NC(=O)CCc1[nH+]ccn1C)C(F)F ZINC001299155753 958060470 /nfs/dbraw/zinc/06/04/70/958060470.db2.gz BJUZYDMQHPHCIH-ZETCQYMHSA-N 1 2 231.246 1.123 20 0 BDADLO CC(=O)N1CC(Nc2cc[nH+]c(OC(C)C)c2)C1 ZINC001171078037 972320730 /nfs/dbraw/zinc/32/07/30/972320730.db2.gz PTACDMGSPYCSNG-UHFFFAOYSA-N 1 2 249.314 1.511 20 0 BDADLO FC1(F)C[NH2+]C[C@@H]1NC1CCCCCC1 ZINC001246464679 972339192 /nfs/dbraw/zinc/33/91/92/972339192.db2.gz SLJCAPICPHGHTH-JTQLQIEISA-N 1 2 218.291 1.906 20 0 BDADLO COc1cccc(C[N@@H+]2CCCC23COC3)n1 ZINC001137533148 958397072 /nfs/dbraw/zinc/39/70/72/958397072.db2.gz AHPLKWMQOWNNAN-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cccc(C[N@H+]2CCCC23COC3)n1 ZINC001137533148 958397087 /nfs/dbraw/zinc/39/70/87/958397087.db2.gz AHPLKWMQOWNNAN-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000308652886 958422111 /nfs/dbraw/zinc/42/21/11/958422111.db2.gz LZOKTQLILIHPLJ-BDAKNGLRSA-N 1 2 217.334 1.279 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NCC1CCC1 ZINC001221489562 972346172 /nfs/dbraw/zinc/34/61/72/972346172.db2.gz TYICLXAKUCQPPH-UHFFFAOYSA-N 1 2 234.303 1.263 20 0 BDADLO Cc1c(F)cc(F)cc1C[NH+]1CC(C(N)=O)C1 ZINC001143767885 972355753 /nfs/dbraw/zinc/35/57/53/972355753.db2.gz QICCYMYNWKJAHA-UHFFFAOYSA-N 1 2 240.253 1.190 20 0 BDADLO CC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001266917549 958591864 /nfs/dbraw/zinc/59/18/64/958591864.db2.gz DJVJDEMFBPVGOU-MRVPVSSYSA-N 1 2 237.303 1.166 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000131814796 958756541 /nfs/dbraw/zinc/75/65/41/958756541.db2.gz NJRXWGVNBBGVGO-GFCCVEGCSA-N 1 2 234.299 1.308 20 0 BDADLO [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000131814796 958756562 /nfs/dbraw/zinc/75/65/62/958756562.db2.gz NJRXWGVNBBGVGO-GFCCVEGCSA-N 1 2 234.299 1.308 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)C[C@H]1CCOC1 ZINC001167522159 958835983 /nfs/dbraw/zinc/83/59/83/958835983.db2.gz UBCLBSOGZCXBCE-DTWKUNHWSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)C[C@H]1CCOC1 ZINC001167522159 958835984 /nfs/dbraw/zinc/83/59/84/958835984.db2.gz UBCLBSOGZCXBCE-DTWKUNHWSA-N 1 2 227.333 1.567 20 0 BDADLO c1cn(CCOC[C@H]2Cc3ccccc3O2)c[nH+]1 ZINC001222134653 972380596 /nfs/dbraw/zinc/38/05/96/972380596.db2.gz JEKFXIDGHRYYBY-CYBMUJFWSA-N 1 2 244.294 1.903 20 0 BDADLO Oc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH]cn1)CC2 ZINC000690738888 958856489 /nfs/dbraw/zinc/85/64/89/958856489.db2.gz JPWUTWRMDVYPDE-CYBMUJFWSA-N 1 2 229.283 1.892 20 0 BDADLO CCCOC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222134820 972383368 /nfs/dbraw/zinc/38/33/68/972383368.db2.gz PCMYZPJUOCDCJY-LLVKDONJSA-N 1 2 212.293 1.715 20 0 BDADLO CCC(F)(F)C(=O)NCc1[nH]c[nH+]c1C ZINC000692369716 958873897 /nfs/dbraw/zinc/87/38/97/958873897.db2.gz GWVBLGRJCLJOAI-UHFFFAOYSA-N 1 2 217.219 1.380 20 0 BDADLO F[C@H]1COCC[C@H]1OCCn1cc[nH+]c1 ZINC001222139962 972388164 /nfs/dbraw/zinc/38/81/64/972388164.db2.gz ZFHVZXFRGQMKPC-VHSXEESVSA-N 1 2 214.240 1.027 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001204593395 959017959 /nfs/dbraw/zinc/01/79/59/959017959.db2.gz HCYANBFNKLYJQA-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001204593395 959017975 /nfs/dbraw/zinc/01/79/75/959017975.db2.gz HCYANBFNKLYJQA-LBPRGKRZSA-N 1 2 221.304 1.329 20 0 BDADLO COCCn1c[nH+]cc1CNC(=O)C=C(C)C ZINC001143928879 972399956 /nfs/dbraw/zinc/39/99/56/972399956.db2.gz QVAAVKOKDQCHJL-UHFFFAOYSA-N 1 2 237.303 1.112 20 0 BDADLO Nc1cc(CNc2ccn3ccnc3c2)cc[nH+]1 ZINC001167617450 959088816 /nfs/dbraw/zinc/08/88/16/959088816.db2.gz NKVZLZSAKZGJTC-UHFFFAOYSA-N 1 2 239.282 1.924 20 0 BDADLO Nc1cncc(NCc2cc[nH+]c(N)c2)c1 ZINC001167617856 959089269 /nfs/dbraw/zinc/08/92/69/959089269.db2.gz YKWAAPBFCMOLPD-UHFFFAOYSA-N 1 2 215.260 1.253 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001203206893 959417835 /nfs/dbraw/zinc/41/78/35/959417835.db2.gz YAYGAQRQGQKSGB-MNOVXSKESA-N 1 2 220.320 1.817 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001203206893 959417847 /nfs/dbraw/zinc/41/78/47/959417847.db2.gz YAYGAQRQGQKSGB-MNOVXSKESA-N 1 2 220.320 1.817 20 0 BDADLO CCC1(C(=O)Nc2cc[nH+]c3c2CCC3)COC1 ZINC001143453230 959424083 /nfs/dbraw/zinc/42/40/83/959424083.db2.gz QHLVZENTMHICHO-UHFFFAOYSA-N 1 2 246.310 1.357 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1CCCOCC1 ZINC000308853654 959525791 /nfs/dbraw/zinc/52/57/91/959525791.db2.gz SCCABEJILPTSQG-JTQLQIEISA-N 1 2 215.293 1.097 20 0 BDADLO C[C@@H](CCO)Nc1cc2cc[nH]c2c[nH+]1 ZINC000308847251 959526268 /nfs/dbraw/zinc/52/62/68/959526268.db2.gz MRQZTBGGZUWKCE-QMMMGPOBSA-N 1 2 205.261 1.746 20 0 BDADLO CNc1cc(N[C@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000301019072 959589508 /nfs/dbraw/zinc/58/95/08/959589508.db2.gz NCVIQLZQQNGMJF-BDAKNGLRSA-N 1 2 222.292 1.355 20 0 BDADLO CNc1cc(N[C@H]2CCOC[C@H]2C)[nH+]cn1 ZINC000301019072 959589524 /nfs/dbraw/zinc/58/95/24/959589524.db2.gz NCVIQLZQQNGMJF-BDAKNGLRSA-N 1 2 222.292 1.355 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000309343212 959855384 /nfs/dbraw/zinc/85/53/84/959855384.db2.gz LAGWTCPCQONRQP-WDEREUQCSA-N 1 2 229.320 1.079 20 0 BDADLO Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H]1C[NH2+][C@@H]1C ZINC001218384878 960027410 /nfs/dbraw/zinc/02/74/10/960027410.db2.gz FZTJEBFECOTLSL-KCJUWKMLSA-N 1 2 245.282 1.383 20 0 BDADLO CC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105126064 960459771 /nfs/dbraw/zinc/45/97/71/960459771.db2.gz JIYXESZCGGKRFG-NSHDSACASA-N 1 2 236.319 1.358 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@H+](Cc2nncs2)C1 ZINC000930997158 960480331 /nfs/dbraw/zinc/48/03/31/960480331.db2.gz DKYLJUIDEIJSQY-NSHDSACASA-N 1 2 239.344 1.275 20 0 BDADLO O[C@@]1(C2CC2)CCC[N@@H+](Cc2nncs2)C1 ZINC000930997158 960480341 /nfs/dbraw/zinc/48/03/41/960480341.db2.gz DKYLJUIDEIJSQY-NSHDSACASA-N 1 2 239.344 1.275 20 0 BDADLO C[C@H](CC(=O)NC/C=C/C1CC1)n1cc[nH+]c1 ZINC001327223889 972507219 /nfs/dbraw/zinc/50/72/19/972507219.db2.gz VSANKUUKKINLEP-KXMPLOMGSA-N 1 2 233.315 1.917 20 0 BDADLO CCOC(=O)c1ccc(C[N@H+](C)CCF)[nH]1 ZINC001140695192 960507910 /nfs/dbraw/zinc/50/79/10/960507910.db2.gz YVONEOPLXSSVLP-UHFFFAOYSA-N 1 2 228.267 1.593 20 0 BDADLO CCOC(=O)c1ccc(C[N@@H+](C)CCF)[nH]1 ZINC001140695192 960507919 /nfs/dbraw/zinc/50/79/19/960507919.db2.gz YVONEOPLXSSVLP-UHFFFAOYSA-N 1 2 228.267 1.593 20 0 BDADLO COC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203067031 960579300 /nfs/dbraw/zinc/57/93/00/960579300.db2.gz KUFGPNMIPDVRFU-UHFFFAOYSA-N 1 2 209.293 1.329 20 0 BDADLO COC[C@H]1CCCC[N@@H+]1Cc1cc(C)[nH]n1 ZINC001203070266 960619958 /nfs/dbraw/zinc/61/99/58/960619958.db2.gz MYWYLCIVXALJMF-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001203070266 960619966 /nfs/dbraw/zinc/61/99/66/960619966.db2.gz MYWYLCIVXALJMF-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCNC(=O)C2(C)C)c1C ZINC001140860509 960642216 /nfs/dbraw/zinc/64/22/16/960642216.db2.gz ULHZKRKSXWTPQO-UHFFFAOYSA-N 1 2 235.331 1.342 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCNC(=O)C2(C)C)c1C ZINC001140860509 960642226 /nfs/dbraw/zinc/64/22/26/960642226.db2.gz ULHZKRKSXWTPQO-UHFFFAOYSA-N 1 2 235.331 1.342 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1C ZINC001140867299 960656026 /nfs/dbraw/zinc/65/60/26/960656026.db2.gz YVXTVDXIHQTOON-TXEJJXNPSA-N 1 2 248.326 1.279 20 0 BDADLO Cc1c[nH]c(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1C ZINC001140867299 960656033 /nfs/dbraw/zinc/65/60/33/960656033.db2.gz YVXTVDXIHQTOON-TXEJJXNPSA-N 1 2 248.326 1.279 20 0 BDADLO Nc1cccc(F)c1CN1CCn2c[nH+]cc2C1 ZINC001140875783 960663074 /nfs/dbraw/zinc/66/30/74/960663074.db2.gz ZMIIJBONYGXQGW-UHFFFAOYSA-N 1 2 246.289 1.620 20 0 BDADLO Oc1ccc(C[N@H+]2CCC[C@@H](O)C2)c(F)c1F ZINC001140889530 960666505 /nfs/dbraw/zinc/66/65/05/960666505.db2.gz IEVPDYFAOWLODR-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(F)c1F ZINC001140889530 960666512 /nfs/dbraw/zinc/66/65/12/960666512.db2.gz IEVPDYFAOWLODR-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncccc3C2)n[nH]1 ZINC001203076509 960674285 /nfs/dbraw/zinc/67/42/85/960674285.db2.gz DCIRLTJVGWCBSR-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncccc3C2)n[nH]1 ZINC001203076509 960674294 /nfs/dbraw/zinc/67/42/94/960674294.db2.gz DCIRLTJVGWCBSR-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2csnn2)CC[C@]1(C)O ZINC001140992561 960785160 /nfs/dbraw/zinc/78/51/60/960785160.db2.gz KDQKIOJPLAGUAE-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2csnn2)CC[C@]1(C)O ZINC001140992561 960785171 /nfs/dbraw/zinc/78/51/71/960785171.db2.gz KDQKIOJPLAGUAE-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ncco2)C1 ZINC001141007195 960804136 /nfs/dbraw/zinc/80/41/36/960804136.db2.gz BBWPHDDSMMTWPI-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC001141007195 960804138 /nfs/dbraw/zinc/80/41/38/960804138.db2.gz BBWPHDDSMMTWPI-SNVBAGLBSA-N 1 2 238.287 1.450 20 0 BDADLO CC(=O)C1CC[NH+](Cc2ncco2)CC1 ZINC001141007174 960805090 /nfs/dbraw/zinc/80/50/90/960805090.db2.gz AKIRYCDZCIGABK-UHFFFAOYSA-N 1 2 208.261 1.476 20 0 BDADLO C[N@@H+](Cc1ncco1)C[C@H]1CCCCO1 ZINC001141007281 960807230 /nfs/dbraw/zinc/80/72/30/960807230.db2.gz FXWQPCZAGZLVNB-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO C[N@H+](Cc1ncco1)C[C@H]1CCCCO1 ZINC001141007281 960807231 /nfs/dbraw/zinc/80/72/31/960807231.db2.gz FXWQPCZAGZLVNB-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO CCOC1CN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141047725 960835024 /nfs/dbraw/zinc/83/50/24/960835024.db2.gz QSMPNYQJHDRWNK-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO c1cn2ccc(C[N@@H+]3CCOC4(CC4)C3)cc2n1 ZINC001141049197 960839662 /nfs/dbraw/zinc/83/96/62/960839662.db2.gz AUAFWMPWOOQJIS-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cn2ccc(C[N@H+]3CCOC4(CC4)C3)cc2n1 ZINC001141049197 960839679 /nfs/dbraw/zinc/83/96/79/960839679.db2.gz AUAFWMPWOOQJIS-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO CCCCc1[nH]cc(CN2CCCO2)[nH+]1 ZINC001141067556 960858879 /nfs/dbraw/zinc/85/88/79/960858879.db2.gz HJTLQQRJTMVFMV-UHFFFAOYSA-N 1 2 209.293 1.890 20 0 BDADLO CCCCc1[nH]c(CN2CCCO2)c[nH+]1 ZINC001141067556 960858882 /nfs/dbraw/zinc/85/88/82/960858882.db2.gz HJTLQQRJTMVFMV-UHFFFAOYSA-N 1 2 209.293 1.890 20 0 BDADLO CCCCc1[nH]c(CN2CCOC(=O)C2)c[nH+]1 ZINC001141071496 960862536 /nfs/dbraw/zinc/86/25/36/960862536.db2.gz RKMQGPXGVWEKIQ-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCCCc1[nH]cc(CN2CCOC(=O)C2)[nH+]1 ZINC001141071496 960862553 /nfs/dbraw/zinc/86/25/53/960862553.db2.gz RKMQGPXGVWEKIQ-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO O=C1CCCC2(CC[NH+](Cc3cocn3)CC2)N1 ZINC001141129042 960874530 /nfs/dbraw/zinc/87/45/30/960874530.db2.gz UDWYRUYOYJODOW-UHFFFAOYSA-N 1 2 249.314 1.309 20 0 BDADLO CCC(=O)NC1CC[NH+](Cc2cocn2)CC1 ZINC001141129542 960877655 /nfs/dbraw/zinc/87/76/55/960877655.db2.gz FOOWMTIKPBJOCC-UHFFFAOYSA-N 1 2 237.303 1.165 20 0 BDADLO CC(C)[N@H+](CCC(=O)N1CCCC1)CC(F)F ZINC000838872954 961100268 /nfs/dbraw/zinc/10/02/68/961100268.db2.gz KWNPSBWFRKRBCO-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CC(C)[N@@H+](CCC(=O)N1CCCC1)CC(F)F ZINC000838872954 961100288 /nfs/dbraw/zinc/10/02/88/961100288.db2.gz KWNPSBWFRKRBCO-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO O=C1CCC[N@H+](Cc2cccc3c2OCO3)CC1 ZINC001141950427 961187530 /nfs/dbraw/zinc/18/75/30/961187530.db2.gz NXOGYQDRIDAYAO-UHFFFAOYSA-N 1 2 247.294 1.970 20 0 BDADLO O=C1CCC[N@@H+](Cc2cccc3c2OCO3)CC1 ZINC001141950427 961187541 /nfs/dbraw/zinc/18/75/41/961187541.db2.gz NXOGYQDRIDAYAO-UHFFFAOYSA-N 1 2 247.294 1.970 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001481578065 961220024 /nfs/dbraw/zinc/22/00/24/961220024.db2.gz YXVVFFQVHPWBQC-ZCFIWIBFSA-N 1 2 224.226 1.005 20 0 BDADLO COC(=O)[C@@H](C)c1ccc(NC=[NH2+])nc1 ZINC001167864666 961330297 /nfs/dbraw/zinc/33/02/97/961330297.db2.gz IHYXSGUTQDZFDY-ZETCQYMHSA-N 1 2 207.233 1.377 20 0 BDADLO O=C(/C=C/c1ccoc1)NCCn1cc[nH+]c1 ZINC001142256770 961380034 /nfs/dbraw/zinc/38/00/34/961380034.db2.gz HXGUHCRUVCEDFG-OWOJBTEDSA-N 1 2 231.255 1.306 20 0 BDADLO COCCCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001142426908 961440264 /nfs/dbraw/zinc/44/02/64/961440264.db2.gz VUASFCFGOKNPPW-UHFFFAOYSA-N 1 2 239.319 1.227 20 0 BDADLO CC(C)/C=C/C(=O)N1CCc2[nH+]ccn2CC1 ZINC001142659869 961568322 /nfs/dbraw/zinc/56/83/22/961568322.db2.gz XANAZLSBMWOFCZ-ONEGZZNKSA-N 1 2 233.315 1.480 20 0 BDADLO Cc1nc(N2CC[C@@](C)(O)C2)cc(C(C)C)[nH+]1 ZINC000709794767 961587218 /nfs/dbraw/zinc/58/72/18/961587218.db2.gz GELHOLLCCIGYQF-CYBMUJFWSA-N 1 2 235.331 1.870 20 0 BDADLO c1nc2cccc(C[N@H+](C3CC3)C3COC3)c2[nH]1 ZINC001142689975 961622951 /nfs/dbraw/zinc/62/29/51/961622951.db2.gz OZZZRXGDGRYGRN-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO c1nc2cccc(C[N@@H+](C3CC3)C3COC3)c2[nH]1 ZINC001142689975 961622963 /nfs/dbraw/zinc/62/29/63/961622963.db2.gz OZZZRXGDGRYGRN-UHFFFAOYSA-N 1 2 243.310 1.926 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)n1cc[nH+]c1 ZINC001344539065 961690153 /nfs/dbraw/zinc/69/01/53/961690153.db2.gz LUUTVJJDMBMOFY-WISYIIOYSA-N 1 2 233.315 1.749 20 0 BDADLO NC(=O)C1C[NH+](Cc2csc(Cl)c2)C1 ZINC001142770475 961722795 /nfs/dbraw/zinc/72/27/95/961722795.db2.gz DEUGINNKDXCHPV-UHFFFAOYSA-N 1 2 230.720 1.319 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142874449 961811068 /nfs/dbraw/zinc/81/10/68/961811068.db2.gz UPGZRVIVDCIEIQ-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142874449 961811073 /nfs/dbraw/zinc/81/10/73/961811073.db2.gz UPGZRVIVDCIEIQ-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO c1cc2c(nccc2C[N@@H+]2CCO[C@@H]3C[C@@H]32)[nH]1 ZINC001142883871 961812937 /nfs/dbraw/zinc/81/29/37/961812937.db2.gz QLTVJMFYXYKOMN-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO c1cc2c(nccc2C[N@H+]2CCO[C@@H]3C[C@@H]32)[nH]1 ZINC001142883871 961812946 /nfs/dbraw/zinc/81/29/46/961812946.db2.gz QLTVJMFYXYKOMN-NWDGAFQWSA-N 1 2 229.283 1.536 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cccc2nonc21 ZINC001203126509 961819138 /nfs/dbraw/zinc/81/91/38/961819138.db2.gz DZBZMUQRJSJMBN-SECBINFHSA-N 1 2 245.282 1.776 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1cccc2nonc21 ZINC001203126509 961819141 /nfs/dbraw/zinc/81/91/41/961819141.db2.gz DZBZMUQRJSJMBN-SECBINFHSA-N 1 2 245.282 1.776 20 0 BDADLO CC[N@H+](Cc1cccn2ccnc12)C1COC1 ZINC001142961669 961856674 /nfs/dbraw/zinc/85/66/74/961856674.db2.gz OKDIAMHRKPENJH-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO CC[N@@H+](Cc1cccn2ccnc12)C1COC1 ZINC001142961669 961856676 /nfs/dbraw/zinc/85/66/76/961856676.db2.gz OKDIAMHRKPENJH-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO Cc1cccc(OC[C@H]2C[N@H+](C)CCO2)n1 ZINC001225280254 962007741 /nfs/dbraw/zinc/00/77/41/962007741.db2.gz UDTDDNYDQDNISA-LLVKDONJSA-N 1 2 222.288 1.099 20 0 BDADLO Cc1cccc(OC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001225280254 962007762 /nfs/dbraw/zinc/00/77/62/962007762.db2.gz UDTDDNYDQDNISA-LLVKDONJSA-N 1 2 222.288 1.099 20 0 BDADLO C=CC(=O)OC[C@@H](C)Oc1cc[nH+]cc1 ZINC001225290604 962046179 /nfs/dbraw/zinc/04/61/79/962046179.db2.gz CMVQBKKHESAMFQ-SECBINFHSA-N 1 2 207.229 1.578 20 0 BDADLO CC1(C)COC(=O)[C@@H]1Oc1cc[nH+]cc1 ZINC001225290590 962048917 /nfs/dbraw/zinc/04/89/17/962048917.db2.gz BUDUNNKJOJUNQN-VIFPVBQESA-N 1 2 207.229 1.412 20 0 BDADLO C[NH+]1CC(Oc2cccc3cccnc32)C1 ZINC001225296592 962068715 /nfs/dbraw/zinc/06/87/15/962068715.db2.gz ZPXRZWJDURZQIT-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO CCC(CC)CO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001204937994 962084906 /nfs/dbraw/zinc/08/49/06/962084906.db2.gz CRUCLQFAVPHHFN-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CCC(CC)CO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001204937994 962084931 /nfs/dbraw/zinc/08/49/31/962084931.db2.gz CRUCLQFAVPHHFN-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc(O)cn2)CCO1 ZINC000132632367 962463761 /nfs/dbraw/zinc/46/37/61/962463761.db2.gz UXNIPBURDWQMKU-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc(O)cn2)CCO1 ZINC000132632367 962463795 /nfs/dbraw/zinc/46/37/95/962463795.db2.gz UXNIPBURDWQMKU-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO c1n[nH]c(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)n1 ZINC000711088716 962601886 /nfs/dbraw/zinc/60/18/86/962601886.db2.gz CVFKLISWYHVLIX-MYJAWHEDSA-N 1 2 206.293 1.473 20 0 BDADLO c1n[nH]c(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)n1 ZINC000711088715 962602714 /nfs/dbraw/zinc/60/27/14/962602714.db2.gz CVFKLISWYHVLIX-ILWJIGKKSA-N 1 2 206.293 1.473 20 0 BDADLO CC1(C)CN(c2cc(N)nc[nH+]2)CCS1 ZINC000133452480 962616322 /nfs/dbraw/zinc/61/63/22/962616322.db2.gz POUWNWNPDBJLKS-UHFFFAOYSA-N 1 2 224.333 1.391 20 0 BDADLO O=C(N[C@@H]1C[C@H]1F)c1cccc2[nH+]ccn21 ZINC001154526270 962797265 /nfs/dbraw/zinc/79/72/65/962797265.db2.gz OFQVZRPARPZEDK-HTQZYQBOSA-N 1 2 219.219 1.175 20 0 BDADLO CCN(CC)c1cc(NCC2COC2)[nH+]cn1 ZINC001154634655 962825164 /nfs/dbraw/zinc/82/51/64/962825164.db2.gz XGQSCZXTFFAVIH-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CCN(CC)c1cc(NCC2COC2)nc[nH+]1 ZINC001154634655 962825181 /nfs/dbraw/zinc/82/51/81/962825181.db2.gz XGQSCZXTFFAVIH-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)ccn1 ZINC001206654742 963034549 /nfs/dbraw/zinc/03/45/49/963034549.db2.gz CSJVKDMLHARNEN-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO Cc1cc(Cl)c(C)c(NC[C@@H](O)CO)[nH+]1 ZINC001155646273 963130925 /nfs/dbraw/zinc/13/09/25/963130925.db2.gz GQKAGMHXSFVNCC-MRVPVSSYSA-N 1 2 230.695 1.117 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccn(C(C)C)n1 ZINC001155951509 963211735 /nfs/dbraw/zinc/21/17/35/963211735.db2.gz YKCQRQYNMHYRRR-SNVBAGLBSA-N 1 2 236.319 1.497 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccn(C(C)C)n1 ZINC001155951509 963211746 /nfs/dbraw/zinc/21/17/46/963211746.db2.gz YKCQRQYNMHYRRR-SNVBAGLBSA-N 1 2 236.319 1.497 20 0 BDADLO Cc1c(F)cc[nH+]c1NC[C@H]1CCC(=O)N1 ZINC001156143526 963266040 /nfs/dbraw/zinc/26/60/40/963266040.db2.gz CRGALQWBCQUVDA-MRVPVSSYSA-N 1 2 223.251 1.220 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@@H]1CCN(C)C1=O ZINC001156507416 963373217 /nfs/dbraw/zinc/37/32/17/963373217.db2.gz RLKRFOUONUXGGV-SECBINFHSA-N 1 2 223.251 1.172 20 0 BDADLO CSc1cc[nH+]c(N[C@H]2CCN(C)C2=O)c1 ZINC001156508039 963377137 /nfs/dbraw/zinc/37/71/37/963377137.db2.gz IUBUESRGJSLYLJ-VIFPVBQESA-N 1 2 237.328 1.446 20 0 BDADLO CC=CC=CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156537936 963381679 /nfs/dbraw/zinc/38/16/79/963381679.db2.gz DSJGPGAAIFVECV-TWTPFVCWSA-N 1 2 219.288 1.721 20 0 BDADLO CC=CC=CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156537936 963381687 /nfs/dbraw/zinc/38/16/87/963381687.db2.gz DSJGPGAAIFVECV-TWTPFVCWSA-N 1 2 219.288 1.721 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CCO[C@H]2C)c[nH+]1 ZINC001156538078 963382520 /nfs/dbraw/zinc/38/25/20/963382520.db2.gz JJHKDKXCTVNGIS-WPRPVWTQSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CCO[C@H]2C)[nH+]1 ZINC001156538078 963382531 /nfs/dbraw/zinc/38/25/31/963382531.db2.gz JJHKDKXCTVNGIS-WPRPVWTQSA-N 1 2 237.303 1.013 20 0 BDADLO CSc1nc(NC2CC(=O)C2)cc(C)[nH+]1 ZINC001156610083 963406744 /nfs/dbraw/zinc/40/67/44/963406744.db2.gz CNTMNGCFCODPTJ-UHFFFAOYSA-N 1 2 223.301 1.650 20 0 BDADLO Cc1nnc(C2CN(c3cc(C)[nH+]c(C)n3)C2)[nH]1 ZINC000895330107 963411036 /nfs/dbraw/zinc/41/10/36/963411036.db2.gz SQHDWHSJBMFNMR-UHFFFAOYSA-N 1 2 244.302 1.124 20 0 BDADLO C[NH2+][C@@H]1CCN1C(F)(F)c1nccnc1Cl ZINC001156659643 963430554 /nfs/dbraw/zinc/43/05/54/963430554.db2.gz NJSNJGKRCXEMCQ-LURJTMIESA-N 1 2 248.664 1.431 20 0 BDADLO CCOc1nccc(NCc2cc[nH+]c(N)c2)n1 ZINC001156757628 963454101 /nfs/dbraw/zinc/45/41/01/963454101.db2.gz ZMNFVNYGLPMGSJ-UHFFFAOYSA-N 1 2 245.286 1.465 20 0 BDADLO Nc1cc(CNc2ccncn2)cc[nH+]1 ZINC001156756439 963455405 /nfs/dbraw/zinc/45/54/05/963455405.db2.gz YAMIXFHERPVBNR-UHFFFAOYSA-N 1 2 201.233 1.066 20 0 BDADLO COCc1ccc(NCc2cc[nH+]c(N)c2)nn1 ZINC001156763862 963455454 /nfs/dbraw/zinc/45/54/54/963455454.db2.gz HCXQHBACJLCYQA-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO CSc1cncc(NCc2cc[nH+]c(N)c2)n1 ZINC001156761844 963455695 /nfs/dbraw/zinc/45/56/95/963455695.db2.gz ZFOYUAODGQWLAI-UHFFFAOYSA-N 1 2 247.327 1.788 20 0 BDADLO Nc1cc(CNc2cc(Cl)ncn2)cc[nH+]1 ZINC001156756468 963455766 /nfs/dbraw/zinc/45/57/66/963455766.db2.gz YXSQTPNAMQATRP-UHFFFAOYSA-N 1 2 235.678 1.719 20 0 BDADLO Nc1[nH]c2cc(C(=O)Nc3c[nH]cn3)ccc2[nH+]1 ZINC001156964015 963501151 /nfs/dbraw/zinc/50/11/51/963501151.db2.gz DYRDEMAIEUUGRO-UHFFFAOYSA-N 1 2 242.242 1.121 20 0 BDADLO CN(C)c1cc(NC2(CO)CCCC2)[nH+]cn1 ZINC001157003033 963509288 /nfs/dbraw/zinc/50/92/88/963509288.db2.gz YWBQRXTUIDOJAO-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CN(C)c1cc(NC2(CO)CCCC2)nc[nH+]1 ZINC001157003033 963509296 /nfs/dbraw/zinc/50/92/96/963509296.db2.gz YWBQRXTUIDOJAO-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)[C@@H](C)[C@H](C)O1 ZINC001355281121 963509264 /nfs/dbraw/zinc/50/92/64/963509264.db2.gz VJFLSGXMXMTOAC-VWYCJHECSA-N 1 2 246.314 1.731 20 0 BDADLO CC1CCN(c2ccc(NC=[NH2+])nn2)CC1 ZINC001157078302 963524453 /nfs/dbraw/zinc/52/44/53/963524453.db2.gz KZWMTTQMJVMTSY-UHFFFAOYSA-N 1 2 219.292 1.732 20 0 BDADLO CCOC(=O)Cc1ccnc(NC=[NH2+])c1 ZINC001157080356 963525163 /nfs/dbraw/zinc/52/51/63/963525163.db2.gz VWFROTMXEXCEBT-UHFFFAOYSA-N 1 2 207.233 1.206 20 0 BDADLO Cc1cc(CN(C)Cc2c[nH+]cn2C)n(C)n1 ZINC001204384010 963531206 /nfs/dbraw/zinc/53/12/06/963531206.db2.gz OCUGGHARRXVQQO-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2cc[nH]c2)[nH+]1 ZINC001157120291 963535085 /nfs/dbraw/zinc/53/50/85/963535085.db2.gz UEAISFAMCBLBBK-UHFFFAOYSA-N 1 2 232.287 1.791 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2cc[nH]c2)c[nH+]1 ZINC001157120291 963535090 /nfs/dbraw/zinc/53/50/90/963535090.db2.gz UEAISFAMCBLBBK-UHFFFAOYSA-N 1 2 232.287 1.791 20 0 BDADLO CC(=O)CCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157119959 963535609 /nfs/dbraw/zinc/53/56/09/963535609.db2.gz PZEINASIIBHILF-UHFFFAOYSA-N 1 2 237.303 1.519 20 0 BDADLO CC(=O)CCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157119959 963535612 /nfs/dbraw/zinc/53/56/12/963535612.db2.gz PZEINASIIBHILF-UHFFFAOYSA-N 1 2 237.303 1.519 20 0 BDADLO CC[C@](C)(O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157124397 963536064 /nfs/dbraw/zinc/53/60/64/963536064.db2.gz KRBKYQLFHLQXLY-LBPRGKRZSA-N 1 2 239.319 1.310 20 0 BDADLO CC[C@](C)(O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157124397 963536069 /nfs/dbraw/zinc/53/60/69/963536069.db2.gz KRBKYQLFHLQXLY-LBPRGKRZSA-N 1 2 239.319 1.310 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2ncccc21 ZINC001157139309 963544026 /nfs/dbraw/zinc/54/40/26/963544026.db2.gz MEUNJWIPLFDIOT-LBPRGKRZSA-N 1 2 231.299 1.065 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N1CCc2ncccc21 ZINC001157139309 963544035 /nfs/dbraw/zinc/54/40/35/963544035.db2.gz MEUNJWIPLFDIOT-LBPRGKRZSA-N 1 2 231.299 1.065 20 0 BDADLO Nc1cc(NC2(c3ccccn3)CC2)[nH+]cn1 ZINC001157373598 963588104 /nfs/dbraw/zinc/58/81/04/963588104.db2.gz AQKSXIIKNMAAGL-UHFFFAOYSA-N 1 2 227.271 1.555 20 0 BDADLO Cc1cc(Cl)c(C)c(N(C)CCO)[nH+]1 ZINC001157386642 963590757 /nfs/dbraw/zinc/59/07/57/963590757.db2.gz YOERGHOYNCGFLL-UHFFFAOYSA-N 1 2 214.696 1.780 20 0 BDADLO CCN(c1nnc(Cl)cc1F)C1C[NH+](C)C1 ZINC001157456652 963614811 /nfs/dbraw/zinc/61/48/11/963614811.db2.gz UTDUEOOFELBNCR-UHFFFAOYSA-N 1 2 244.701 1.409 20 0 BDADLO CCC1(Nc2cc(N)cc(Cl)[nH+]2)COC1 ZINC001157535974 963646176 /nfs/dbraw/zinc/64/61/76/963646176.db2.gz HZNDZFXTIJEWGS-UHFFFAOYSA-N 1 2 227.695 1.908 20 0 BDADLO COCc1cc[nH+]c(NC[C@H]2C[C@@](C)(O)C2)c1 ZINC001157554654 963658605 /nfs/dbraw/zinc/65/86/05/963658605.db2.gz PZQVQZGMGOAIES-BJHJDKERSA-N 1 2 236.315 1.801 20 0 BDADLO Cc1nc(NC2CSC2)c2c([nH+]1)CCC2 ZINC001157576811 963668161 /nfs/dbraw/zinc/66/81/61/963668161.db2.gz QVPLFWIQMZLSIZ-UHFFFAOYSA-N 1 2 221.329 1.801 20 0 BDADLO Cc1ccnnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001157580782 963669810 /nfs/dbraw/zinc/66/98/10/963669810.db2.gz JJFJHKKQJSBTFQ-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1ccnnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001157580782 963669812 /nfs/dbraw/zinc/66/98/12/963669812.db2.gz JJFJHKKQJSBTFQ-LLVKDONJSA-N 1 2 248.330 1.060 20 0 BDADLO C=Cc1ccc(NC[C@H]2CC(=O)N(C)C2)[nH+]c1 ZINC001157909338 963760162 /nfs/dbraw/zinc/76/01/62/963760162.db2.gz OGQQOMIEQUDCNF-LLVKDONJSA-N 1 2 231.299 1.615 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCO[C@@H](C)C2)no1 ZINC001168114690 963762041 /nfs/dbraw/zinc/76/20/41/963762041.db2.gz JIDIIEIEQQMENT-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCO[C@@H](C)C2)no1 ZINC001168114690 963762046 /nfs/dbraw/zinc/76/20/46/963762046.db2.gz JIDIIEIEQQMENT-WPRPVWTQSA-N 1 2 225.292 1.377 20 0 BDADLO CC1(C[N@@H+]2CCCC(=O)C2)CCOCC1 ZINC000725643506 963792883 /nfs/dbraw/zinc/79/28/83/963792883.db2.gz FJACLYYQZKPTMQ-UHFFFAOYSA-N 1 2 211.305 1.468 20 0 BDADLO CC1(C[N@H+]2CCCC(=O)C2)CCOCC1 ZINC000725643506 963792888 /nfs/dbraw/zinc/79/28/88/963792888.db2.gz FJACLYYQZKPTMQ-UHFFFAOYSA-N 1 2 211.305 1.468 20 0 BDADLO COc1c[nH+]c(NCC2OCCO2)c(C)c1 ZINC001158198727 963828747 /nfs/dbraw/zinc/82/87/47/963828747.db2.gz UYFKNFUKUOTKHJ-UHFFFAOYSA-N 1 2 224.260 1.183 20 0 BDADLO CC(C)[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158470672 963879954 /nfs/dbraw/zinc/87/99/54/963879954.db2.gz FFYYZCGXKKWKFN-SSDOTTSWSA-N 1 2 244.232 1.391 20 0 BDADLO COc1cccnc1C[N@@H+]1CC[C@]12CCOC2 ZINC001206665629 963831775 /nfs/dbraw/zinc/83/17/75/963831775.db2.gz HJMCFOBWPLYNIC-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO COc1cccnc1C[N@H+]1CC[C@]12CCOC2 ZINC001206665629 963831779 /nfs/dbraw/zinc/83/17/79/963831779.db2.gz HJMCFOBWPLYNIC-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO CC(C)[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158470672 963879951 /nfs/dbraw/zinc/87/99/51/963879951.db2.gz FFYYZCGXKKWKFN-SSDOTTSWSA-N 1 2 244.232 1.391 20 0 BDADLO C[C@@H](Nc1cc(N)nc[nH+]1)c1cnccn1 ZINC001158601179 963893382 /nfs/dbraw/zinc/89/33/82/963893382.db2.gz ORURNYQCGOLLHL-SSDOTTSWSA-N 1 2 216.248 1.022 20 0 BDADLO Cn1c[nH+]cc1CN1CCCCC12COC2 ZINC001204387355 963954636 /nfs/dbraw/zinc/95/46/36/963954636.db2.gz CYIISIHKMSEFFQ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cncc1C[N@@H+]1CCCCC12COC2 ZINC001204387355 963954643 /nfs/dbraw/zinc/95/46/43/963954643.db2.gz CYIISIHKMSEFFQ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cn1cncc1C[N@H+]1CCCCC12COC2 ZINC001204387355 963954649 /nfs/dbraw/zinc/95/46/49/963954649.db2.gz CYIISIHKMSEFFQ-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO C[C@@H](CCCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001158931092 963959854 /nfs/dbraw/zinc/95/98/54/963959854.db2.gz VEYJPRFCUHJAHV-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO C[C@@H](CCCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001158931092 963959858 /nfs/dbraw/zinc/95/98/58/963959858.db2.gz VEYJPRFCUHJAHV-JTQLQIEISA-N 1 2 239.319 1.010 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc2ccccc2c[nH+]1 ZINC001158984549 963967133 /nfs/dbraw/zinc/96/71/33/963967133.db2.gz VTEPUBQKURBTIS-VIFPVBQESA-N 1 2 229.283 1.781 20 0 BDADLO OC[C@H]1C[C@@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001168240906 964043312 /nfs/dbraw/zinc/04/33/12/964043312.db2.gz XKUWJGUWVQURNY-WAAGHKOSSA-N 1 2 217.272 1.746 20 0 BDADLO Nc1cc(NCOc2ccccc2)[nH+]cn1 ZINC001159704836 964157701 /nfs/dbraw/zinc/15/77/01/964157701.db2.gz JAVDHRGJYBGJPK-UHFFFAOYSA-N 1 2 216.244 1.507 20 0 BDADLO COC(C[N@H+](C)Cc1ccc(Cl)nn1)OC ZINC000714575377 964257219 /nfs/dbraw/zinc/25/72/19/964257219.db2.gz XDVWMJLDTJNCOI-UHFFFAOYSA-N 1 2 245.710 1.181 20 0 BDADLO COC(C[N@@H+](C)Cc1ccc(Cl)nn1)OC ZINC000714575377 964257233 /nfs/dbraw/zinc/25/72/33/964257233.db2.gz XDVWMJLDTJNCOI-UHFFFAOYSA-N 1 2 245.710 1.181 20 0 BDADLO Nc1cccc(CN2C[C@@H](F)[C@@H](F)C2)[nH+]1 ZINC000714644862 964290486 /nfs/dbraw/zinc/29/04/86/964290486.db2.gz UJLDDCYZBLWDEZ-DTORHVGOSA-N 1 2 213.231 1.156 20 0 BDADLO COC(=O)C[C@@H](C)Nc1nc[nH+]c2cc[nH]c21 ZINC001160525247 964326229 /nfs/dbraw/zinc/32/62/29/964326229.db2.gz ATLHOYJWCBKLJV-SSDOTTSWSA-N 1 2 234.259 1.321 20 0 BDADLO COC(=O)[C@H]1C[C@H]1CNc1[nH+]cccc1OC ZINC001161036356 964492056 /nfs/dbraw/zinc/49/20/56/964492056.db2.gz KKNOCQVSNBFOFC-IUCAKERBSA-N 1 2 236.271 1.311 20 0 BDADLO COC(=[NH2+])c1cccc(NCCNC(C)=O)c1 ZINC001161661739 964670566 /nfs/dbraw/zinc/67/05/66/964670566.db2.gz NLDKWECDWSFUSF-UHFFFAOYSA-N 1 2 235.287 1.206 20 0 BDADLO Clc1ncnc(NCCCn2cc[nH+]c2)n1 ZINC001161681452 964681759 /nfs/dbraw/zinc/68/17/59/964681759.db2.gz ZFIQHTOFFWUIPQ-UHFFFAOYSA-N 1 2 238.682 1.224 20 0 BDADLO Cc1cc(Cl)c(C)c(NC(CO)CO)[nH+]1 ZINC001161747462 964730484 /nfs/dbraw/zinc/73/04/84/964730484.db2.gz LOPDNLGMOMFNJP-UHFFFAOYSA-N 1 2 230.695 1.117 20 0 BDADLO COc1cccc2c(NCC(N)=O)cc[nH+]c12 ZINC001161846046 964785725 /nfs/dbraw/zinc/78/57/25/964785725.db2.gz YSIOFMUWNSYNMR-UHFFFAOYSA-N 1 2 231.255 1.141 20 0 BDADLO Cn1c[nH+]c2ccc(NCc3ccnn3C)cc21 ZINC001161873770 964803157 /nfs/dbraw/zinc/80/31/57/964803157.db2.gz FTPAXLXXRGTGKE-UHFFFAOYSA-N 1 2 241.298 1.919 20 0 BDADLO Cn1c[nH+]c2ccc(NCC(=O)NC3CC3)cc21 ZINC001161893944 964812536 /nfs/dbraw/zinc/81/25/36/964812536.db2.gz RPSWTSCZPWNRSS-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO CC(C)Oc1ccc[nH+]c1NCC1COC1 ZINC001161955247 964834734 /nfs/dbraw/zinc/83/47/34/964834734.db2.gz PFXMWBQIEMKJAJ-UHFFFAOYSA-N 1 2 222.288 1.927 20 0 BDADLO COCc1cc[nH+]c(NCCCn2cncn2)c1 ZINC001161959883 964839163 /nfs/dbraw/zinc/83/91/63/964839163.db2.gz JSPDSZPUFIQBRR-UHFFFAOYSA-N 1 2 247.302 1.322 20 0 BDADLO C=Cc1ccc(NCCCn2cncn2)[nH+]c1 ZINC001161961601 964839214 /nfs/dbraw/zinc/83/92/14/964839214.db2.gz HBLCEGVSUNBMSB-UHFFFAOYSA-N 1 2 229.287 1.818 20 0 BDADLO CCn1cc(Nc2[nH+]cc(C)cc2N)ccc1=O ZINC001162174855 964860495 /nfs/dbraw/zinc/86/04/95/964860495.db2.gz LLKBUHGIZBQSSG-UHFFFAOYSA-N 1 2 244.298 1.897 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccc3nc[nH]c32)C[C@H]1F ZINC001142672765 964883383 /nfs/dbraw/zinc/88/33/83/964883383.db2.gz LRJGWBCZCYVVHU-ZYHUDNBSSA-N 1 2 249.289 1.468 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccc3nc[nH]c32)C[C@H]1F ZINC001142672765 964883392 /nfs/dbraw/zinc/88/33/92/964883392.db2.gz LRJGWBCZCYVVHU-ZYHUDNBSSA-N 1 2 249.289 1.468 20 0 BDADLO COC(=O)c1[nH+]ccc(NCC(C)(F)F)c1C ZINC001162232605 964886386 /nfs/dbraw/zinc/88/63/86/964886386.db2.gz BCKIKAYKFOBNMO-UHFFFAOYSA-N 1 2 244.241 1.666 20 0 BDADLO Cc1ccncc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168370184 964914235 /nfs/dbraw/zinc/91/42/35/964914235.db2.gz XLCALGHBBMQGEA-GFCCVEGCSA-N 1 2 247.342 1.665 20 0 BDADLO Cc1ccncc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168370184 964914238 /nfs/dbraw/zinc/91/42/38/964914238.db2.gz XLCALGHBBMQGEA-GFCCVEGCSA-N 1 2 247.342 1.665 20 0 BDADLO CN(C)c1ccc(NC[C@@H]2CCNC(=O)C2)[nH+]c1 ZINC001162337684 964937332 /nfs/dbraw/zinc/93/73/32/964937332.db2.gz RDZAULUIAKRVSK-SNVBAGLBSA-N 1 2 248.330 1.086 20 0 BDADLO CN(C)c1ccc(NC[C@H]2CCNC(=O)C2)[nH+]c1 ZINC001162337683 964937557 /nfs/dbraw/zinc/93/75/57/964937557.db2.gz RDZAULUIAKRVSK-JTQLQIEISA-N 1 2 248.330 1.086 20 0 BDADLO Cc1nc(N[C@H]2CC[C@](C)(O)CC2)cc[nH+]1 ZINC001162359909 964941364 /nfs/dbraw/zinc/94/13/64/964941364.db2.gz QYIKUANQWFEPIX-UMSPYCQHSA-N 1 2 221.304 1.891 20 0 BDADLO CCCCc1nc(NC2(C(N)=O)CC2)cc(C)[nH+]1 ZINC001162543051 965031815 /nfs/dbraw/zinc/03/18/15/965031815.db2.gz AJQUMSMOPBIFGX-UHFFFAOYSA-N 1 2 248.330 1.557 20 0 BDADLO CC(C)COc1cc(NC2(C(N)=O)CC2)cc[nH+]1 ZINC001162548925 965039467 /nfs/dbraw/zinc/03/94/67/965039467.db2.gz HYSBWXFTNHDQSX-UHFFFAOYSA-N 1 2 249.314 1.546 20 0 BDADLO Cc1c[nH+]c(NC2=CC(=O)NCC2)c(C)c1 ZINC001162643409 965082769 /nfs/dbraw/zinc/08/27/69/965082769.db2.gz IMUSLKJRWFHXHL-UHFFFAOYSA-N 1 2 217.272 1.514 20 0 BDADLO Fc1nccnc1NCc1ccn2cc[nH+]c2c1 ZINC001162793001 965181366 /nfs/dbraw/zinc/18/13/66/965181366.db2.gz RUXLTOVIWDXMJM-UHFFFAOYSA-N 1 2 243.245 1.876 20 0 BDADLO COc1c[nH+]c(N[C@H]2CNC(=O)C2(C)C)c(C)c1 ZINC001163009109 965226076 /nfs/dbraw/zinc/22/60/76/965226076.db2.gz RJUBYQXNTMQRKK-JTQLQIEISA-N 1 2 249.314 1.335 20 0 BDADLO CC(C)(C)c1ccc(NC[C@H]2CNC(=O)O2)[nH+]c1 ZINC001163021054 965234084 /nfs/dbraw/zinc/23/40/84/965234084.db2.gz OUFNPCGITBNNKW-JTQLQIEISA-N 1 2 249.314 1.899 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cncc(O)c1 ZINC001232042967 965300313 /nfs/dbraw/zinc/30/03/13/965300313.db2.gz BOMMSJPMALTDKA-CYBMUJFWSA-N 1 2 236.315 1.644 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cncc(O)c1 ZINC001232042967 965300324 /nfs/dbraw/zinc/30/03/24/965300324.db2.gz BOMMSJPMALTDKA-CYBMUJFWSA-N 1 2 236.315 1.644 20 0 BDADLO CCOC(=O)[C@@H]1CCCN1Cc1c[nH+]c(C)[nH]1 ZINC001232463800 965356804 /nfs/dbraw/zinc/35/68/04/965356804.db2.gz NWRAJCXSCPLOMC-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO CCOC(=O)[C@@H]1CCCN1Cc1c[nH]c(C)[nH+]1 ZINC001232463800 965356816 /nfs/dbraw/zinc/35/68/16/965356816.db2.gz NWRAJCXSCPLOMC-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO Cc1cc(N(C(N)=[NH2+])c2cc(F)ccn2)n[nH]1 ZINC001163507920 965421261 /nfs/dbraw/zinc/42/12/61/965421261.db2.gz HBSAVOFJHOAGQP-UHFFFAOYSA-N 1 2 234.238 1.284 20 0 BDADLO COc1c[nH+]c(N(C)C)nc1NC(C)C ZINC001163566910 965449877 /nfs/dbraw/zinc/44/98/77/965449877.db2.gz HNCFKABIKAZCMV-UHFFFAOYSA-N 1 2 210.281 1.372 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2CO)c(C)c(C)[nH+]1 ZINC001163559519 965451553 /nfs/dbraw/zinc/45/15/53/965451553.db2.gz SAIHERQPVSOWRJ-GFCCVEGCSA-N 1 2 235.331 1.753 20 0 BDADLO CCOC(=O)Cc1cc[nH+]c(N(C)CC)c1 ZINC001163582020 965461183 /nfs/dbraw/zinc/46/11/83/965461183.db2.gz AKYNDHBXCANAQP-UHFFFAOYSA-N 1 2 222.288 1.643 20 0 BDADLO CCN(C)c1nc(NC(C)C)c(OC)c[nH+]1 ZINC001163579585 965461528 /nfs/dbraw/zinc/46/15/28/965461528.db2.gz NBWBDDBSYJODJA-UHFFFAOYSA-N 1 2 224.308 1.762 20 0 BDADLO COCC1CN(c2nc(NC3CC3)c(C)c[nH+]2)C1 ZINC001163729938 965543583 /nfs/dbraw/zinc/54/35/83/965543583.db2.gz HIGJAMKMSNLVJO-UHFFFAOYSA-N 1 2 248.330 1.442 20 0 BDADLO CNC(=O)[C@H]1CC12CC[NH+](Cc1cocn1)CC2 ZINC001272378563 965562929 /nfs/dbraw/zinc/56/29/29/965562929.db2.gz BBMQAVCJTDBOHU-LLVKDONJSA-N 1 2 249.314 1.023 20 0 BDADLO Cc1cc[nH+]c(N2CC(N3CC(F)C3)C2)c1 ZINC001163753666 965567713 /nfs/dbraw/zinc/56/77/13/965567713.db2.gz IQMWJNSNVACREF-UHFFFAOYSA-N 1 2 221.279 1.232 20 0 BDADLO CC1(Nc2[nH+]cnc3[nH]cc(C(N)=O)c32)CCC1 ZINC001164030531 965705135 /nfs/dbraw/zinc/70/51/35/965705135.db2.gz ZMNFFKPPWUVMOC-UHFFFAOYSA-N 1 2 245.286 1.411 20 0 BDADLO O[C@@H]1CN(c2cc3ccccc3c[nH+]2)C[C@@H]1F ZINC001164104060 965734045 /nfs/dbraw/zinc/73/40/45/965734045.db2.gz GMOJBMQMPPGMIX-NWDGAFQWSA-N 1 2 232.258 1.754 20 0 BDADLO COc1ccc(C)[nH+]c1N1C[C@@H](F)[C@H](F)C1 ZINC001164211105 965795741 /nfs/dbraw/zinc/79/57/41/965795741.db2.gz QYMLSJITMUTIHB-RKDXNWHRSA-N 1 2 228.242 1.895 20 0 BDADLO Nc1[nH+]c(N2C[C@@H](F)[C@H](F)C2)ccc1Cl ZINC001164216204 965798797 /nfs/dbraw/zinc/79/87/97/965798797.db2.gz HHDCCLVKIRPRKJ-RNFRBKRXSA-N 1 2 233.649 1.813 20 0 BDADLO CCc1nc(N2C[C@@H](F)[C@H](F)C2)cc(C)[nH+]1 ZINC001164215250 965800692 /nfs/dbraw/zinc/80/06/92/965800692.db2.gz QLSMQWVGVLVSCB-RKDXNWHRSA-N 1 2 227.258 1.844 20 0 BDADLO CCC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106197809 965808848 /nfs/dbraw/zinc/80/88/48/965808848.db2.gz IMEVYNHKLWYGPE-VIFPVBQESA-N 1 2 236.319 1.502 20 0 BDADLO COc1ccc(C)[nH+]c1N1CC[C@@H](C)[C@H](O)C1 ZINC001164272619 965816643 /nfs/dbraw/zinc/81/66/43/965816643.db2.gz CEQYZPXFOLUBCX-MWLCHTKSSA-N 1 2 236.315 1.606 20 0 BDADLO C[C@@H]1CCN(c2ccc(Cl)c(N)[nH+]2)C[C@H]1O ZINC001164277038 965817707 /nfs/dbraw/zinc/81/77/07/965817707.db2.gz GKTASSBVKRQHJW-VXNVDRBHSA-N 1 2 241.722 1.524 20 0 BDADLO CCCc1cc(N2CCCNC(=O)C2)nc(C)[nH+]1 ZINC001164278924 965820000 /nfs/dbraw/zinc/82/00/00/965820000.db2.gz DSZSUBHIZXHGAY-UHFFFAOYSA-N 1 2 248.330 1.064 20 0 BDADLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)ccc2C)C[NH2+]1 ZINC001164301571 965834419 /nfs/dbraw/zinc/83/44/19/965834419.db2.gz DPLABTJLODTBJH-QWRGUYRKSA-N 1 2 249.314 1.014 20 0 BDADLO COc1cc(C)c[nH+]c1N1[C@@H](C)CC[C@H]1CO ZINC001164307796 965838867 /nfs/dbraw/zinc/83/88/67/965838867.db2.gz LXWCEUSVUNEXBT-QWRGUYRKSA-N 1 2 236.315 1.748 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001205112197 965857606 /nfs/dbraw/zinc/85/76/06/965857606.db2.gz ZBOHEWPGFYTPPE-VXGBXAGGSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001205112197 965857607 /nfs/dbraw/zinc/85/76/07/965857607.db2.gz ZBOHEWPGFYTPPE-VXGBXAGGSA-N 1 2 235.331 1.421 20 0 BDADLO O=c1[nH][nH]cc1CCCNc1cccc[nH+]1 ZINC001164366561 965863118 /nfs/dbraw/zinc/86/31/18/965863118.db2.gz OHVIDJMABFCHFP-SECBINFHSA-N 1 2 218.260 1.006 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(COC)ccn1 ZINC001164378385 965866911 /nfs/dbraw/zinc/86/69/11/965866911.db2.gz LKCKBJAPGHUREW-LLVKDONJSA-N 1 2 249.314 1.261 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(COC)ccn1 ZINC001164378385 965866916 /nfs/dbraw/zinc/86/69/16/965866916.db2.gz LKCKBJAPGHUREW-LLVKDONJSA-N 1 2 249.314 1.261 20 0 BDADLO COC(=O)CNc1ccc([NH+](C)C)c(C)c1 ZINC001164565869 965917869 /nfs/dbraw/zinc/91/78/69/965917869.db2.gz IXMALKSWBMOZHW-UHFFFAOYSA-N 1 2 222.288 1.646 20 0 BDADLO C[C@@]1(O)CCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001165232161 965995930 /nfs/dbraw/zinc/99/59/30/965995930.db2.gz RBSDZVUOEXPSEW-CYBMUJFWSA-N 1 2 218.300 1.920 20 0 BDADLO CN(C)c1cc(N2CCn3cccc3C2)nc[nH+]1 ZINC001166600275 966320912 /nfs/dbraw/zinc/32/09/12/966320912.db2.gz MRQYPLDAPNESJB-UHFFFAOYSA-N 1 2 243.314 1.364 20 0 BDADLO CN(C)c1cc(N2CCn3cccc3C2)[nH+]cn1 ZINC001166600275 966320928 /nfs/dbraw/zinc/32/09/28/966320928.db2.gz MRQYPLDAPNESJB-UHFFFAOYSA-N 1 2 243.314 1.364 20 0 BDADLO CC[C@@H](C)CCC(=O)NCCc1[nH+]ccn1C ZINC001124010750 966351914 /nfs/dbraw/zinc/35/19/14/966351914.db2.gz LGXXBCXHPWFCFJ-LLVKDONJSA-N 1 2 237.347 1.905 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2C[C@H]1CO2 ZINC001166756744 966392502 /nfs/dbraw/zinc/39/25/02/966392502.db2.gz PGRWEXAHMORMEA-QWRGUYRKSA-N 1 2 247.298 1.326 20 0 BDADLO Cn1ncc2c1CN(c1cc(N)cc(Cl)[nH+]1)C2 ZINC001166761331 966398550 /nfs/dbraw/zinc/39/85/50/966398550.db2.gz FZQHQZGGKSJJGX-UHFFFAOYSA-N 1 2 249.705 1.571 20 0 BDADLO COc1cc(C)c[nH+]c1N1Cc2cnn(C)c2C1 ZINC001166762144 966399804 /nfs/dbraw/zinc/39/98/04/966399804.db2.gz GDPXNAIZANOEOI-UHFFFAOYSA-N 1 2 244.298 1.652 20 0 BDADLO COCc1cc[nH+]c(N(C)CC2COC2)c1 ZINC001166948258 966473342 /nfs/dbraw/zinc/47/33/42/966473342.db2.gz MOXKMXRPTSMIEK-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO Cc1[nH]c2ccc(Nc3nonc3N)cc2[nH+]1 ZINC001213070566 966479073 /nfs/dbraw/zinc/47/90/73/966479073.db2.gz WJEQHBKQOSFROD-UHFFFAOYSA-N 1 2 230.231 1.580 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001166982087 966504811 /nfs/dbraw/zinc/50/48/11/966504811.db2.gz RPPDWCAXYOOZBB-UWVGGRQHSA-N 1 2 249.289 1.101 20 0 BDADLO CN(c1ccc(Cl)c(N)[nH+]1)C1(C)COC1 ZINC001166984989 966506966 /nfs/dbraw/zinc/50/69/66/966506966.db2.gz KRLBZTJZXWLPDS-UHFFFAOYSA-N 1 2 227.695 1.542 20 0 BDADLO Cc1ccc(-n2ccc(=O)c(N)c2)c(C)[nH+]1 ZINC001203370782 966617472 /nfs/dbraw/zinc/61/74/72/966617472.db2.gz VBIAHVDVNXHILF-UHFFFAOYSA-N 1 2 215.256 1.432 20 0 BDADLO CNc1ccc(Nc2cncc(O)c2)c[nH+]1 ZINC001203449034 966646803 /nfs/dbraw/zinc/64/68/03/966646803.db2.gz WXDUKAMVFFERJR-UHFFFAOYSA-N 1 2 216.244 1.968 20 0 BDADLO CNc1ccc(Nc2cccnc2CO)c[nH+]1 ZINC001203452894 966657205 /nfs/dbraw/zinc/65/72/05/966657205.db2.gz SGKPOEPYDAUDQV-UHFFFAOYSA-N 1 2 230.271 1.754 20 0 BDADLO CCn1c[nH+]cc1CN(C)Cc1cncnc1 ZINC001237594574 966674515 /nfs/dbraw/zinc/67/45/15/966674515.db2.gz VLUJEESOALKKCF-UHFFFAOYSA-N 1 2 231.303 1.325 20 0 BDADLO Cc1ccccc1C[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001203706638 966745365 /nfs/dbraw/zinc/74/53/65/966745365.db2.gz JEWZFJYPUNQJHB-RYUDHWBXSA-N 1 2 236.290 1.393 20 0 BDADLO Cc1ccccc1C[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001203706638 966745378 /nfs/dbraw/zinc/74/53/78/966745378.db2.gz JEWZFJYPUNQJHB-RYUDHWBXSA-N 1 2 236.290 1.393 20 0 BDADLO COc1ccc(C[NH+]2CC3(COC3)C2)cc1F ZINC001203790708 966782557 /nfs/dbraw/zinc/78/25/57/966782557.db2.gz NKUWUYPDQYOQDU-UHFFFAOYSA-N 1 2 237.274 1.667 20 0 BDADLO O=C1CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC001203861517 966796617 /nfs/dbraw/zinc/79/66/17/966796617.db2.gz ZONXIBNQSQXYNP-UHFFFAOYSA-N 1 2 219.284 1.947 20 0 BDADLO O=C1CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC001203861517 966796622 /nfs/dbraw/zinc/79/66/22/966796622.db2.gz ZONXIBNQSQXYNP-UHFFFAOYSA-N 1 2 219.284 1.947 20 0 BDADLO Cc1nc(NC[C@@H](C)NC(=O)C2CC2)cc[nH+]1 ZINC001107603433 966807503 /nfs/dbraw/zinc/80/75/03/966807503.db2.gz WEZGTZBZMVLGKM-MRVPVSSYSA-N 1 2 234.303 1.112 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(OC(C)=O)cc2)C1 ZINC001203945303 966825900 /nfs/dbraw/zinc/82/59/00/966825900.db2.gz CPHIQXYNISMRTJ-UHFFFAOYSA-N 1 2 249.310 1.833 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc[nH]2)C[C@@H]1C ZINC001204011270 966841346 /nfs/dbraw/zinc/84/13/46/966841346.db2.gz LNRCJXAFHSOFTO-JTQLQIEISA-N 1 2 221.304 1.067 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc[nH]2)C[C@@H]1C ZINC001204011270 966841347 /nfs/dbraw/zinc/84/13/47/966841347.db2.gz LNRCJXAFHSOFTO-JTQLQIEISA-N 1 2 221.304 1.067 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2ccncn2)n1 ZINC001204070670 966880651 /nfs/dbraw/zinc/88/06/51/966880651.db2.gz NAYRYJIGXCZRTQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2ccncn2)n1 ZINC001204070670 966880654 /nfs/dbraw/zinc/88/06/54/966880654.db2.gz NAYRYJIGXCZRTQ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Nc1cccn1-c1ccc[nH+]c1N1CCOCC1 ZINC001212356177 966897856 /nfs/dbraw/zinc/89/78/56/966897856.db2.gz PIQGZMGERDPOAX-UHFFFAOYSA-N 1 2 244.298 1.291 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@H]1F ZINC001204193409 966921827 /nfs/dbraw/zinc/92/18/27/966921827.db2.gz IWBSDZJMHAQBOO-MWLCHTKSSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@H]1F ZINC001204193409 966921837 /nfs/dbraw/zinc/92/18/37/966921837.db2.gz IWBSDZJMHAQBOO-MWLCHTKSSA-N 1 2 245.244 1.870 20 0 BDADLO Cc1cc(C[NH+]2CCN(C)CC2)oc1C ZINC001204531666 967027968 /nfs/dbraw/zinc/02/79/68/967027968.db2.gz KECBWLAYHDNCKH-UHFFFAOYSA-N 1 2 208.305 1.644 20 0 BDADLO Cc1c2cn(-c3ccc[nH+]c3N)nc2ccc1N ZINC001212400270 967045916 /nfs/dbraw/zinc/04/59/16/967045916.db2.gz VBZZAWOATCXNRZ-UHFFFAOYSA-N 1 2 239.282 1.893 20 0 BDADLO Cc1c(C[N@@H+]2CCOC3(CC3)C2)cnn1C ZINC001204574432 967068365 /nfs/dbraw/zinc/06/83/65/967068365.db2.gz HIQGGIQKHKNBOT-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1c(C[N@H+]2CCOC3(CC3)C2)cnn1C ZINC001204574432 967068376 /nfs/dbraw/zinc/06/83/76/967068376.db2.gz HIQGGIQKHKNBOT-UHFFFAOYSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cc(Nc2ncc(F)cc2O)c[nH+]c1N ZINC001249786677 967068482 /nfs/dbraw/zinc/06/84/82/967068482.db2.gz ZFZFVTLQTNQWNJ-UHFFFAOYSA-N 1 2 234.234 1.956 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001204583129 967076402 /nfs/dbraw/zinc/07/64/02/967076402.db2.gz BMQRLKQGTPEALQ-VXGBXAGGSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001204583129 967076412 /nfs/dbraw/zinc/07/64/12/967076412.db2.gz BMQRLKQGTPEALQ-VXGBXAGGSA-N 1 2 221.304 1.092 20 0 BDADLO CCOC(=O)[C@@H]1CCCN1Cc1[nH]c[nH+]c1C ZINC001204590046 967079240 /nfs/dbraw/zinc/07/92/40/967079240.db2.gz MUGZNQZAWMODKT-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC(F)(F)C[C@H]1CF ZINC001204588000 967085385 /nfs/dbraw/zinc/08/53/85/967085385.db2.gz RJVGPVNJUZGXEA-QMMMGPOBSA-N 1 2 233.237 1.897 20 0 BDADLO CCOC(=O)[C@H](C)c1ccc(NC)[nH+]c1 ZINC001249856410 967096624 /nfs/dbraw/zinc/09/66/24/967096624.db2.gz WNPSPGSSBXHILW-MRVPVSSYSA-N 1 2 208.261 1.790 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)n[nH]1 ZINC001116439028 967164556 /nfs/dbraw/zinc/16/45/56/967164556.db2.gz CQZRDPKEZAPAME-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)n[nH]1 ZINC001116439028 967164564 /nfs/dbraw/zinc/16/45/64/967164564.db2.gz CQZRDPKEZAPAME-JQWIXIFHSA-N 1 2 223.320 1.717 20 0 BDADLO Cn1ccc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204951474 967251225 /nfs/dbraw/zinc/25/12/25/967251225.db2.gz TZYOIYDTEJCFOA-UHFFFAOYSA-N 1 2 213.244 1.811 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc(N(C)C)nc1 ZINC001205005588 967287350 /nfs/dbraw/zinc/28/73/50/967287350.db2.gz YWDOPMXXRQTSLW-REZHQCRGSA-N 1 2 204.277 1.418 20 0 BDADLO Cc1cc(-c2cnc(N(C)C)nc2)c[nH+]c1N ZINC001205010440 967290547 /nfs/dbraw/zinc/29/05/47/967290547.db2.gz FTPDVGPIDZNFMT-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO c1cc(N2CCOCC2)[nH+]cc1C[C@H]1CCCO1 ZINC001250100722 967371956 /nfs/dbraw/zinc/37/19/56/967371956.db2.gz GNEZFEPTFAHGIU-CYBMUJFWSA-N 1 2 248.326 1.640 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Oc1ccccc1 ZINC001250255277 967562920 /nfs/dbraw/zinc/56/29/20/967562920.db2.gz BLFJICGBJDSAPS-UHFFFAOYSA-N 1 2 202.213 1.558 20 0 BDADLO CCOc1ncccc1CC[NH+]1CCOCC1 ZINC001250275006 967599188 /nfs/dbraw/zinc/59/91/88/967599188.db2.gz BFXWIPYOCHZYHA-UHFFFAOYSA-N 1 2 236.315 1.355 20 0 BDADLO CCOc1cc(CC[NH+]2CCOCC2)ccn1 ZINC001250279851 967609761 /nfs/dbraw/zinc/60/97/61/967609761.db2.gz HQUWNZOXHZNCGR-UHFFFAOYSA-N 1 2 236.315 1.355 20 0 BDADLO CC(C)OCCNc1[nH+]cnc2[nH]cc(F)c21 ZINC001161782941 967648157 /nfs/dbraw/zinc/64/81/57/967648157.db2.gz YSBJISBMZVGECT-UHFFFAOYSA-N 1 2 238.266 1.886 20 0 BDADLO CN(C)c1ccc(NC[C@H]2CC(=O)N(C)C2)[nH+]c1 ZINC001168726709 967649893 /nfs/dbraw/zinc/64/98/93/967649893.db2.gz NHIYOOTXTFEKEH-SNVBAGLBSA-N 1 2 248.330 1.038 20 0 BDADLO CCn1cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cn1 ZINC001205514231 967663565 /nfs/dbraw/zinc/66/35/65/967663565.db2.gz ZNVXNXVGVZFGHH-CMPLNLGQSA-N 1 2 241.310 1.055 20 0 BDADLO CCn1cc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)cn1 ZINC001205514231 967663570 /nfs/dbraw/zinc/66/35/70/967663570.db2.gz ZNVXNXVGVZFGHH-CMPLNLGQSA-N 1 2 241.310 1.055 20 0 BDADLO COc1ccc(CCn2cc[nH+]c2)cn1 ZINC001250315831 967677389 /nfs/dbraw/zinc/67/73/89/967677389.db2.gz SCJUMSQOFYSXFG-UHFFFAOYSA-N 1 2 203.245 1.529 20 0 BDADLO COc1nc(OC)c(C[NH+]2CCC2)cc1C ZINC001250326086 967706651 /nfs/dbraw/zinc/70/66/51/967706651.db2.gz QNBWZJQINOESSG-UHFFFAOYSA-N 1 2 222.288 1.613 20 0 BDADLO COCc1nc(Cc2cc(C)c[nH+]c2C)no1 ZINC001250367907 967776508 /nfs/dbraw/zinc/77/65/08/967776508.db2.gz IXSYYOMWDGAZTN-UHFFFAOYSA-N 1 2 233.271 1.819 20 0 BDADLO COCc1nc(Cc2c[nH+]ccc2OC)no1 ZINC001250368158 967778638 /nfs/dbraw/zinc/77/86/38/967778638.db2.gz NCWYTONGVOFIMS-UHFFFAOYSA-N 1 2 235.243 1.210 20 0 BDADLO Cc1cccnc1C[NH+]1CCN(CCF)CC1 ZINC001205800023 967823042 /nfs/dbraw/zinc/82/30/42/967823042.db2.gz JTTUXXOVIHDMRF-UHFFFAOYSA-N 1 2 237.322 1.477 20 0 BDADLO CN(C)c1ccc2[nH]c([C@@H]3CCC(=O)N3)[nH+]c2c1 ZINC001250434648 967852147 /nfs/dbraw/zinc/85/21/47/967852147.db2.gz MPEJSVVDFOZEQB-JTQLQIEISA-N 1 2 244.298 1.580 20 0 BDADLO COc1c[nH+]c(N[C@H]2CCC[C@H]2CO)c(C)c1 ZINC001162603318 967872975 /nfs/dbraw/zinc/87/29/75/967872975.db2.gz QBJRNAXPFAODCN-JQWIXIFHSA-N 1 2 236.315 1.972 20 0 BDADLO CSCC[N@H+](C)Cc1coc(C)n1 ZINC001206086657 968058474 /nfs/dbraw/zinc/05/84/74/968058474.db2.gz GFXZMYJUGLOFDV-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO CSCC[N@@H+](C)Cc1coc(C)n1 ZINC001206086657 968058481 /nfs/dbraw/zinc/05/84/81/968058481.db2.gz GFXZMYJUGLOFDV-UHFFFAOYSA-N 1 2 200.307 1.778 20 0 BDADLO CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001064043572 968090814 /nfs/dbraw/zinc/09/08/14/968090814.db2.gz TVAHHQBUFWGJTL-NWDGAFQWSA-N 1 2 248.330 1.502 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc[nH]2)C1 ZINC001206221815 968150314 /nfs/dbraw/zinc/15/03/14/968150314.db2.gz KQMKJROBLGZNFR-VIFPVBQESA-N 1 2 233.237 1.480 20 0 BDADLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc[nH]2)C1 ZINC001206221815 968150322 /nfs/dbraw/zinc/15/03/22/968150322.db2.gz KQMKJROBLGZNFR-VIFPVBQESA-N 1 2 233.237 1.480 20 0 BDADLO COc1ccc2[nH]c(CCC3OCCO3)[nH+]c2c1 ZINC001250607852 968155454 /nfs/dbraw/zinc/15/54/54/968155454.db2.gz GHXGJWFGXHFFIP-UHFFFAOYSA-N 1 2 248.282 1.877 20 0 BDADLO COc1cccc([C@@H](O)CNc2cc[nH+]nc2)c1 ZINC001250700046 968195616 /nfs/dbraw/zinc/19/56/16/968195616.db2.gz PTSFRRUSLAGXCI-ZDUSSCGKSA-N 1 2 245.282 1.631 20 0 BDADLO Cc1nc(N2CCC[C@H](O)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001164231094 968197217 /nfs/dbraw/zinc/19/72/17/968197217.db2.gz SGSORIYMFOQFEF-RNCFNFMXSA-N 1 2 249.358 1.999 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccnn1C ZINC001206354971 968252688 /nfs/dbraw/zinc/25/26/88/968252688.db2.gz DOILYEMGDAXMJA-GFCCVEGCSA-N 1 2 221.304 1.364 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC001206354971 968252698 /nfs/dbraw/zinc/25/26/98/968252698.db2.gz DOILYEMGDAXMJA-GFCCVEGCSA-N 1 2 221.304 1.364 20 0 BDADLO CN(C)c1cc(N2CC(C)(F)C2)nc[nH+]1 ZINC001164581582 968254732 /nfs/dbraw/zinc/25/47/32/968254732.db2.gz ABZIPIUVXMLVAF-UHFFFAOYSA-N 1 2 210.256 1.091 20 0 BDADLO CN(C)c1cc(N2CC(C)(F)C2)[nH+]cn1 ZINC001164581582 968254736 /nfs/dbraw/zinc/25/47/36/968254736.db2.gz ABZIPIUVXMLVAF-UHFFFAOYSA-N 1 2 210.256 1.091 20 0 BDADLO COc1ncc(C[N@@H+]2CCCC[C@H](F)C2)cn1 ZINC001206380944 968265695 /nfs/dbraw/zinc/26/56/95/968265695.db2.gz GPKZQKOPNOHHRA-NSHDSACASA-N 1 2 239.294 1.809 20 0 BDADLO COc1ncc(C[N@H+]2CCCC[C@H](F)C2)cn1 ZINC001206380944 968265704 /nfs/dbraw/zinc/26/57/04/968265704.db2.gz GPKZQKOPNOHHRA-NSHDSACASA-N 1 2 239.294 1.809 20 0 BDADLO COc1ncc(C[NH+]2CCC(F)(F)CC2)cn1 ZINC001206381402 968268217 /nfs/dbraw/zinc/26/82/17/968268217.db2.gz LURKTJXVHVTMJH-UHFFFAOYSA-N 1 2 243.257 1.716 20 0 BDADLO O[C@H](C[NH2+]Cc1ncco1)COc1ccccc1 ZINC001251151230 968268372 /nfs/dbraw/zinc/26/83/72/968268372.db2.gz YBQJPUGAKBRIPI-LLVKDONJSA-N 1 2 248.282 1.204 20 0 BDADLO C[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001251288677 968280315 /nfs/dbraw/zinc/28/03/15/968280315.db2.gz HMSMNKCBGFWYPX-ZJUUUORDSA-N 1 2 221.304 1.606 20 0 BDADLO Cc1ccc(CNC(=O)CCn2cc[nH+]c2)n1C ZINC001251813668 968346875 /nfs/dbraw/zinc/34/68/75/968346875.db2.gz RBNTVHOLCXOQKL-UHFFFAOYSA-N 1 2 246.314 1.237 20 0 BDADLO Cc1cn2c(cccc2NC[C@H](C)O)[nH+]1 ZINC001251952721 968390939 /nfs/dbraw/zinc/39/09/39/968390939.db2.gz CICQLALUEFNBNG-VIFPVBQESA-N 1 2 205.261 1.435 20 0 BDADLO CCCOC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001251989302 968427846 /nfs/dbraw/zinc/42/78/46/968427846.db2.gz VDGNAYHQZVOFNO-CQSZACIVSA-N 1 2 235.327 1.831 20 0 BDADLO N[C@H]1C[N@H+](CC2OC=CC2=S)CCC1(F)F ZINC001206683421 968432401 /nfs/dbraw/zinc/43/24/01/968432401.db2.gz KZFIOGWOAUQXCI-VIFPVBQESA-N 1 2 248.298 1.737 20 0 BDADLO N[C@H]1C[N@@H+](CC2OC=CC2=S)CCC1(F)F ZINC001206683421 968432415 /nfs/dbraw/zinc/43/24/15/968432415.db2.gz KZFIOGWOAUQXCI-VIFPVBQESA-N 1 2 248.298 1.737 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252021863 968445810 /nfs/dbraw/zinc/44/58/10/968445810.db2.gz QTRSHCHRSXBFAG-IUCAKERBSA-N 1 2 241.253 1.063 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252021863 968445821 /nfs/dbraw/zinc/44/58/21/968445821.db2.gz QTRSHCHRSXBFAG-IUCAKERBSA-N 1 2 241.253 1.063 20 0 BDADLO COc1cc(C)ccc1C[N@H+](C)C1COC1 ZINC001206762252 968462025 /nfs/dbraw/zinc/46/20/25/968462025.db2.gz HTUFAYFKBJPUAR-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COc1cc(C)ccc1C[N@@H+](C)C1COC1 ZINC001206762252 968462032 /nfs/dbraw/zinc/46/20/32/968462032.db2.gz HTUFAYFKBJPUAR-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001206805078 968476461 /nfs/dbraw/zinc/47/64/61/968476461.db2.gz JVINCWXKKJWTKI-JTQLQIEISA-N 1 2 224.329 1.862 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001206805078 968476466 /nfs/dbraw/zinc/47/64/66/968476466.db2.gz JVINCWXKKJWTKI-JTQLQIEISA-N 1 2 224.329 1.862 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(F)cncc1F ZINC001206862574 968503603 /nfs/dbraw/zinc/50/36/03/968503603.db2.gz MHTBTDHTRMCCOD-BDAKNGLRSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(F)cncc1F ZINC001206862574 968503608 /nfs/dbraw/zinc/50/36/08/968503608.db2.gz MHTBTDHTRMCCOD-BDAKNGLRSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(F)cncc1F ZINC001206862577 968504307 /nfs/dbraw/zinc/50/43/07/968504307.db2.gz MHTBTDHTRMCCOD-RKDXNWHRSA-N 1 2 242.269 1.705 20 0 BDADLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c(F)cncc1F ZINC001206862577 968504313 /nfs/dbraw/zinc/50/43/13/968504313.db2.gz MHTBTDHTRMCCOD-RKDXNWHRSA-N 1 2 242.269 1.705 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+]CC(=O)OC(C)(C)C)CCO1 ZINC000164109731 968508156 /nfs/dbraw/zinc/50/81/56/968508156.db2.gz QBIUTAZNJVMFFI-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@H+](CCCC(F)(F)F)CCO1 ZINC001120043571 968515754 /nfs/dbraw/zinc/51/57/54/968515754.db2.gz MGYBCAGYLPOFHM-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@@H+](CCCC(F)(F)F)CCO1 ZINC001120043571 968515761 /nfs/dbraw/zinc/51/57/61/968515761.db2.gz MGYBCAGYLPOFHM-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@H](C[N@@H+]1CCC[C@H]1c1nnc[nH]1)OC ZINC000822603727 968530024 /nfs/dbraw/zinc/53/00/24/968530024.db2.gz LAZRFINUZTYLJC-ZJUUUORDSA-N 1 2 224.308 1.367 20 0 BDADLO CC[C@H](C[N@H+]1CCC[C@H]1c1nnc[nH]1)OC ZINC000822603727 968530027 /nfs/dbraw/zinc/53/00/27/968530027.db2.gz LAZRFINUZTYLJC-ZJUUUORDSA-N 1 2 224.308 1.367 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCOC2(CC2)C1 ZINC001206992513 968532127 /nfs/dbraw/zinc/53/21/27/968532127.db2.gz XKRPDBCDEMPABO-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1ncsc1C[N@H+]1CCOC2(CC2)C1 ZINC001206992513 968532130 /nfs/dbraw/zinc/53/21/30/968532130.db2.gz XKRPDBCDEMPABO-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO c1cnc(C[N@@H+]2CCC[C@@]3(CCO3)C2)nc1 ZINC001207015549 968555137 /nfs/dbraw/zinc/55/51/37/968555137.db2.gz BFYZGDABHPIZPT-GFCCVEGCSA-N 1 2 219.288 1.232 20 0 BDADLO c1cnc(C[N@H+]2CCC[C@@]3(CCO3)C2)nc1 ZINC001207015549 968555142 /nfs/dbraw/zinc/55/51/42/968555142.db2.gz BFYZGDABHPIZPT-GFCCVEGCSA-N 1 2 219.288 1.232 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ncccc2F)CC[C@H]1F ZINC001207026752 968561224 /nfs/dbraw/zinc/56/12/24/968561224.db2.gz OCZOSBIOXROLGG-MWLCHTKSSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ncccc2F)CC[C@H]1F ZINC001207026752 968561232 /nfs/dbraw/zinc/56/12/32/968561232.db2.gz OCZOSBIOXROLGG-MWLCHTKSSA-N 1 2 228.242 1.125 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048064 968581875 /nfs/dbraw/zinc/58/18/75/968581875.db2.gz GHHFYTDMMNEZHX-GFCCVEGCSA-N 1 2 245.326 1.803 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048064 968581883 /nfs/dbraw/zinc/58/18/83/968581883.db2.gz GHHFYTDMMNEZHX-GFCCVEGCSA-N 1 2 245.326 1.803 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001207073578 968603934 /nfs/dbraw/zinc/60/39/34/968603934.db2.gz XUFJBRMOZQSLIR-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001207073578 968603941 /nfs/dbraw/zinc/60/39/41/968603941.db2.gz XUFJBRMOZQSLIR-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO CCc1nccc(C[N@@H+](CC)C2CN(C)C2)n1 ZINC001207089522 968622474 /nfs/dbraw/zinc/62/24/74/968622474.db2.gz QLSYWMWWAYLSMZ-UHFFFAOYSA-N 1 2 234.347 1.175 20 0 BDADLO CCc1nccc(C[N@H+](CC)C2CN(C)C2)n1 ZINC001207089522 968622476 /nfs/dbraw/zinc/62/24/76/968622476.db2.gz QLSYWMWWAYLSMZ-UHFFFAOYSA-N 1 2 234.347 1.175 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ncc(F)cc2F)CC1 ZINC001207092487 968624945 /nfs/dbraw/zinc/62/49/45/968624945.db2.gz DBMPEQCJDVRVDP-JTQLQIEISA-N 1 2 242.269 1.707 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ncc(F)cc2F)CC1 ZINC001207092487 968624946 /nfs/dbraw/zinc/62/49/46/968624946.db2.gz DBMPEQCJDVRVDP-JTQLQIEISA-N 1 2 242.269 1.707 20 0 BDADLO OCC1CC[NH+](Cc2ncc(F)cc2F)CC1 ZINC001207094665 968627112 /nfs/dbraw/zinc/62/71/12/968627112.db2.gz GKUINJOSSZYLJM-UHFFFAOYSA-N 1 2 242.269 1.564 20 0 BDADLO O=c1cc(C[N@@H+]2Cc3ccncc3C2)cc[nH]1 ZINC001207124080 968643291 /nfs/dbraw/zinc/64/32/91/968643291.db2.gz KVUKSOOZRWZFSV-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO O=c1cc(C[N@H+]2Cc3ccncc3C2)cc[nH]1 ZINC001207124080 968643294 /nfs/dbraw/zinc/64/32/94/968643294.db2.gz KVUKSOOZRWZFSV-UHFFFAOYSA-N 1 2 227.267 1.698 20 0 BDADLO Cc1nc(C)c(C(=O)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000825302659 968644764 /nfs/dbraw/zinc/64/47/64/968644764.db2.gz XILYPRFBZPVKPQ-UHFFFAOYSA-N 1 2 248.286 1.561 20 0 BDADLO CCn1ccnc1C[NH+]1CC([C@H](C)OC)C1 ZINC001207146846 968655676 /nfs/dbraw/zinc/65/56/76/968655676.db2.gz LVPZLEHGZOFGQJ-JTQLQIEISA-N 1 2 223.320 1.370 20 0 BDADLO Cc1nccc(CN2CCc3[nH+]ccn3CC2)n1 ZINC001207168526 968676329 /nfs/dbraw/zinc/67/63/29/968676329.db2.gz JYHYOIBAEUCCCK-UHFFFAOYSA-N 1 2 243.314 1.040 20 0 BDADLO CC(=O)NC1C[NH+](CCOCc2ccccc2)C1 ZINC001207235365 968689159 /nfs/dbraw/zinc/68/91/59/968689159.db2.gz FHRBVDBZGCQBEV-UHFFFAOYSA-N 1 2 248.326 1.024 20 0 BDADLO CC(C)(CNC(=O)[C@@H]1CCC=CO1)n1cc[nH+]c1 ZINC000827721971 968703958 /nfs/dbraw/zinc/70/39/58/968703958.db2.gz SMDJCEMSZPSZEV-NSHDSACASA-N 1 2 249.314 1.427 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001085446959 968717388 /nfs/dbraw/zinc/71/73/88/968717388.db2.gz QXIOIZZJXZFGJJ-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001085446959 968717399 /nfs/dbraw/zinc/71/73/99/968717399.db2.gz QXIOIZZJXZFGJJ-GFCCVEGCSA-N 1 2 237.303 1.036 20 0 BDADLO CC1(C)C[C@@H](C[N@@H+]2CCC(=O)C2)CCO1 ZINC001207359322 968736538 /nfs/dbraw/zinc/73/65/38/968736538.db2.gz IQQRVUPOCWZMPM-JTQLQIEISA-N 1 2 211.305 1.466 20 0 BDADLO CC1(C)C[C@@H](C[N@H+]2CCC(=O)C2)CCO1 ZINC001207359322 968736545 /nfs/dbraw/zinc/73/65/45/968736545.db2.gz IQQRVUPOCWZMPM-JTQLQIEISA-N 1 2 211.305 1.466 20 0 BDADLO CC(C)(CNC(=O)c1cc[nH]c1)n1cc[nH+]c1 ZINC000828138378 968763564 /nfs/dbraw/zinc/76/35/64/968763564.db2.gz JIIBELXNVYSOTA-UHFFFAOYSA-N 1 2 232.287 1.376 20 0 BDADLO COc1cc(C)c[nH+]c1NC[C@@H]1CCNC(=O)C1 ZINC001154933992 968783110 /nfs/dbraw/zinc/78/31/10/968783110.db2.gz NWYOKADACYEMOT-SNVBAGLBSA-N 1 2 249.314 1.337 20 0 BDADLO C[C@H]1C[N@H+](CCc2ccc(F)cc2)CC(=O)N1 ZINC001207510487 968810743 /nfs/dbraw/zinc/81/07/43/968810743.db2.gz BFURZKNBMKUJOX-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H]1C[N@@H+](CCc2ccc(F)cc2)CC(=O)N1 ZINC001207510487 968810754 /nfs/dbraw/zinc/81/07/54/968810754.db2.gz BFURZKNBMKUJOX-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCc1ccc(F)cc1 ZINC001207513571 968812237 /nfs/dbraw/zinc/81/22/37/968812237.db2.gz NWTZEVQHLRDMNU-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1ccc(F)cc1 ZINC001207513571 968812241 /nfs/dbraw/zinc/81/22/41/968812241.db2.gz NWTZEVQHLRDMNU-JTQLQIEISA-N 1 2 236.290 1.189 20 0 BDADLO c1nc(C2([NH2+]CC[C@H]3CCOC3)CC2)no1 ZINC001207665261 968856035 /nfs/dbraw/zinc/85/60/35/968856035.db2.gz JMPZZXDZPPWKOA-VIFPVBQESA-N 1 2 223.276 1.075 20 0 BDADLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@@H]1CC12CC2 ZINC001085842324 968861133 /nfs/dbraw/zinc/86/11/33/968861133.db2.gz QDMWPZAWFVAKAP-QWRGUYRKSA-N 1 2 240.322 1.289 20 0 BDADLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@@H]1CC12CC2 ZINC001085842324 968861137 /nfs/dbraw/zinc/86/11/37/968861137.db2.gz QDMWPZAWFVAKAP-QWRGUYRKSA-N 1 2 240.322 1.289 20 0 BDADLO CCc1nc(C[NH2+]CCc2nc[nH]n2)cs1 ZINC000165551608 968945031 /nfs/dbraw/zinc/94/50/31/968945031.db2.gz OXNFMZBAPPMPIK-UHFFFAOYSA-N 1 2 237.332 1.156 20 0 BDADLO CCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001252799403 968982389 /nfs/dbraw/zinc/98/23/89/968982389.db2.gz RJLSKOGUFNMDEH-SECBINFHSA-N 1 2 217.309 1.079 20 0 BDADLO COc1cc[nH+]cc1NCC1(O)CCOCC1 ZINC001252956341 969053199 /nfs/dbraw/zinc/05/31/99/969053199.db2.gz YIQSARNVXQNBBQ-UHFFFAOYSA-N 1 2 238.287 1.044 20 0 BDADLO Cc1ccc([C@@H](C)CC[N@@H+]2CCNC(=O)C2)o1 ZINC001208153190 969081779 /nfs/dbraw/zinc/08/17/79/969081779.db2.gz YHKDUYYZTVWHEI-JTQLQIEISA-N 1 2 236.315 1.513 20 0 BDADLO Cc1ccc([C@@H](C)CC[N@H+]2CCNC(=O)C2)o1 ZINC001208153190 969081782 /nfs/dbraw/zinc/08/17/82/969081782.db2.gz YHKDUYYZTVWHEI-JTQLQIEISA-N 1 2 236.315 1.513 20 0 BDADLO C[C@](O)(C[NH+]1CC2(CCO2)C1)c1ccccc1 ZINC001253102487 969086007 /nfs/dbraw/zinc/08/60/07/969086007.db2.gz RKGHZCAFIXJZOH-ZDUSSCGKSA-N 1 2 233.311 1.369 20 0 BDADLO CCS(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001253407580 969164273 /nfs/dbraw/zinc/16/42/73/969164273.db2.gz AODOSMUXDGBWIM-UHFFFAOYSA-N 1 2 243.332 1.047 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC001253448067 969176717 /nfs/dbraw/zinc/17/67/17/969176717.db2.gz HZEDJUIQQNKHAW-JQWIXIFHSA-N 1 2 243.347 1.216 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1C[C@H](O)COC(C)(C)C ZINC001253448067 969176722 /nfs/dbraw/zinc/17/67/22/969176722.db2.gz HZEDJUIQQNKHAW-JQWIXIFHSA-N 1 2 243.347 1.216 20 0 BDADLO CCCCC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC001253556237 969229577 /nfs/dbraw/zinc/22/95/77/969229577.db2.gz UZZLJJUBUKTMSN-SECBINFHSA-N 1 2 225.279 1.145 20 0 BDADLO CCCOC1C[NH+](CCC(=O)OCC)C1 ZINC001209035287 969332106 /nfs/dbraw/zinc/33/21/06/969332106.db2.gz NNUPNYBHPSTONZ-UHFFFAOYSA-N 1 2 215.293 1.050 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001253721735 969347070 /nfs/dbraw/zinc/34/70/70/969347070.db2.gz HKEMXINSRHTJMN-GXSJLCMTSA-N 1 2 231.311 1.396 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001253721735 969347077 /nfs/dbraw/zinc/34/70/77/969347077.db2.gz HKEMXINSRHTJMN-GXSJLCMTSA-N 1 2 231.311 1.396 20 0 BDADLO COc1cc[nH+]cc1NC[C@@H](O)C(C)C ZINC001253753574 969369609 /nfs/dbraw/zinc/36/96/09/969369609.db2.gz PIHKFRHIBUXVFN-SNVBAGLBSA-N 1 2 210.277 1.519 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001253758446 969377047 /nfs/dbraw/zinc/37/70/47/969377047.db2.gz YQAUJLBUQDLLBQ-UWVGGRQHSA-N 1 2 217.284 1.006 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001253758446 969377053 /nfs/dbraw/zinc/37/70/53/969377053.db2.gz YQAUJLBUQDLLBQ-UWVGGRQHSA-N 1 2 217.284 1.006 20 0 BDADLO O=C1C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)CO1 ZINC001169122073 969419711 /nfs/dbraw/zinc/41/97/11/969419711.db2.gz ZVXJHRFQUFGYEN-LLVKDONJSA-N 1 2 247.298 1.409 20 0 BDADLO COc1cccnc1CNc1cc[nH+]cc1F ZINC001169207132 969482344 /nfs/dbraw/zinc/48/23/44/969482344.db2.gz QIYZERWVDUAQEU-UHFFFAOYSA-N 1 2 233.246 1.658 20 0 BDADLO Cc1cc[nH+]c(NCC2(CO)CCC2)c1C(N)=O ZINC001156271441 969492350 /nfs/dbraw/zinc/49/23/50/969492350.db2.gz BLLBULLUQXWFED-UHFFFAOYSA-N 1 2 249.314 1.063 20 0 BDADLO C[NH+](C)Cc1cn([C@@H]2CCCCC[C@@H]2O)nn1 ZINC001254130057 969519657 /nfs/dbraw/zinc/51/96/57/969519657.db2.gz UXZMFTCUYVMSPX-NEPJUHHUSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cncs1 ZINC001209549837 969540130 /nfs/dbraw/zinc/54/01/30/969540130.db2.gz OLYUIZUNZXYKQE-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cncs1 ZINC001209549837 969540137 /nfs/dbraw/zinc/54/01/37/969540137.db2.gz OLYUIZUNZXYKQE-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)no1 ZINC001209559191 969545384 /nfs/dbraw/zinc/54/53/84/969545384.db2.gz CUGFJJAGRKIRHS-CMPLNLGQSA-N 1 2 222.288 1.676 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)no1 ZINC001209559191 969545387 /nfs/dbraw/zinc/54/53/87/969545387.db2.gz CUGFJJAGRKIRHS-CMPLNLGQSA-N 1 2 222.288 1.676 20 0 BDADLO CCCO[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001209564906 969546215 /nfs/dbraw/zinc/54/62/15/969546215.db2.gz IKYOEBQXVSTLDX-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CCCO[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001209564906 969546218 /nfs/dbraw/zinc/54/62/18/969546218.db2.gz IKYOEBQXVSTLDX-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001209564905 969547048 /nfs/dbraw/zinc/54/70/48/969547048.db2.gz IKYOEBQXVSTLDX-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001209564905 969547052 /nfs/dbraw/zinc/54/70/52/969547052.db2.gz IKYOEBQXVSTLDX-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cncnc2)ccn1 ZINC001209645356 969570877 /nfs/dbraw/zinc/57/08/77/969570877.db2.gz ZMISGEZBRATNBO-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cncnc2)ccn1 ZINC001209645356 969570884 /nfs/dbraw/zinc/57/08/84/969570884.db2.gz ZMISGEZBRATNBO-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCCOC1)C1CCCC1 ZINC001254369238 969581966 /nfs/dbraw/zinc/58/19/66/969581966.db2.gz GQIDUZROCDXINE-RYUDHWBXSA-N 1 2 241.331 1.487 20 0 BDADLO C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1COC1 ZINC001209764136 969604301 /nfs/dbraw/zinc/60/43/01/969604301.db2.gz PMPSHRPAFSNTKG-UHFFFAOYSA-N 1 2 243.310 1.907 20 0 BDADLO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1COC1 ZINC001209764136 969604311 /nfs/dbraw/zinc/60/43/11/969604311.db2.gz PMPSHRPAFSNTKG-UHFFFAOYSA-N 1 2 243.310 1.907 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cn(C)c2ncccc12 ZINC001209752149 969605633 /nfs/dbraw/zinc/60/56/33/969605633.db2.gz ZMSDPLNLMTZYKZ-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cn(C)c2ncccc12 ZINC001209752149 969605642 /nfs/dbraw/zinc/60/56/42/969605642.db2.gz ZMSDPLNLMTZYKZ-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO CCC/C=C/n1c(N)[nH+]cc1C(=O)OCC ZINC001210056969 969780463 /nfs/dbraw/zinc/78/04/63/969780463.db2.gz GWUNAICMJCMZFT-VOTSOKGWSA-N 1 2 223.276 1.913 20 0 BDADLO COc1ccc(Cc2nnc(C[NH+](C)C)o2)cc1 ZINC001254713891 969787318 /nfs/dbraw/zinc/78/73/18/969787318.db2.gz JDGCUPKVCQRLFB-UHFFFAOYSA-N 1 2 247.298 1.731 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cc2cc[nH]c2cn1 ZINC001169649714 969795857 /nfs/dbraw/zinc/79/58/57/969795857.db2.gz KVSMAPUKDMPXSZ-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cc2cc[nH]c2cn1 ZINC001169649714 969795863 /nfs/dbraw/zinc/79/58/63/969795863.db2.gz KVSMAPUKDMPXSZ-NSHDSACASA-N 1 2 246.314 1.305 20 0 BDADLO C[C@@H](OCC[NH+]1CCOCC1)c1ccco1 ZINC001210224686 969837015 /nfs/dbraw/zinc/83/70/15/969837015.db2.gz DHPCVBWNQHMDRF-LLVKDONJSA-N 1 2 225.288 1.689 20 0 BDADLO Nc1c(Nc2cccc3cc[nH+]cc32)c(=O)c1=O ZINC001210224328 969837115 /nfs/dbraw/zinc/83/71/15/969837115.db2.gz XIOXYDPEQJSYDF-UHFFFAOYSA-N 1 2 239.234 1.157 20 0 BDADLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)n(CCO)n1 ZINC001210287558 969853414 /nfs/dbraw/zinc/85/34/14/969853414.db2.gz WZMQQVHUFWVTKH-UHFFFAOYSA-N 1 2 247.302 1.213 20 0 BDADLO Cc1[nH+]cc(Nc2cncc(N)n2)cc1N ZINC001210287371 969854002 /nfs/dbraw/zinc/85/40/02/969854002.db2.gz RPJZBXSWOKSPCZ-UHFFFAOYSA-N 1 2 216.248 1.088 20 0 BDADLO Cc1nonc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287449 969855255 /nfs/dbraw/zinc/85/52/55/969855255.db2.gz UQOMTHASWNVVRU-UHFFFAOYSA-N 1 2 205.221 1.407 20 0 BDADLO CCc1nnc([C@@H]2CCCc3[nH]c[nH+]c32)o1 ZINC001255079613 969872669 /nfs/dbraw/zinc/87/26/69/969872669.db2.gz QEAWGRZXHGOLTF-SSDOTTSWSA-N 1 2 218.260 1.823 20 0 BDADLO FC1(F)C[C@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169902303 969879439 /nfs/dbraw/zinc/87/94/39/969879439.db2.gz PTYUUACYXLQNFV-DTWKUNHWSA-N 1 2 233.258 1.669 20 0 BDADLO Cc1nc(NC[C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc[nH+]1 ZINC001108637694 969893601 /nfs/dbraw/zinc/89/36/01/969893601.db2.gz VBZRWKBWEBTBIV-QXEWZRGKSA-N 1 2 248.330 1.358 20 0 BDADLO CNC(=O)[C@H](C)Nc1ccc(-n2cccc2)c[nH+]1 ZINC001169983895 969933053 /nfs/dbraw/zinc/93/30/53/969933053.db2.gz ARPUFXLLUWYQBG-JTQLQIEISA-N 1 2 244.298 1.419 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1NC1CC(=O)C1 ZINC001156616849 969945003 /nfs/dbraw/zinc/94/50/03/969945003.db2.gz SNTMVMYHPJILRQ-UHFFFAOYSA-N 1 2 233.271 1.492 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCSC1)C(C)C ZINC001255269876 970018100 /nfs/dbraw/zinc/01/81/00/970018100.db2.gz QFESHQUMUOVMNV-UWVGGRQHSA-N 1 2 231.361 1.669 20 0 BDADLO CN(C)c1cc(N2CC3CC(C3)C2)nc[nH+]1 ZINC001156887088 970021495 /nfs/dbraw/zinc/02/14/95/970021495.db2.gz BEXNJFVVAPXJLS-UHFFFAOYSA-N 1 2 218.304 1.389 20 0 BDADLO CN(C)c1cc(N2CC3CC(C3)C2)[nH+]cn1 ZINC001156887088 970021506 /nfs/dbraw/zinc/02/15/06/970021506.db2.gz BEXNJFVVAPXJLS-UHFFFAOYSA-N 1 2 218.304 1.389 20 0 BDADLO CCC(CC)CN1CC[NH2+]CC(F)(F)C1 ZINC001210815246 970049945 /nfs/dbraw/zinc/04/99/45/970049945.db2.gz QTVUPLXDMNAEKP-UHFFFAOYSA-N 1 2 220.307 1.963 20 0 BDADLO Cc1nc(NC2(CNC(=O)C3CC3)CC2)cc[nH+]1 ZINC001110038974 970056870 /nfs/dbraw/zinc/05/68/70/970056870.db2.gz SAHZNIOKRVQIQP-UHFFFAOYSA-N 1 2 246.314 1.256 20 0 BDADLO CCCC[C@H](C)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001255314132 970084080 /nfs/dbraw/zinc/08/40/80/970084080.db2.gz WTFWZTMDUXNXCH-AXFHLTTASA-N 1 2 231.336 1.467 20 0 BDADLO CCCOCCNc1[nH+]ccc(C)c1C(N)=O ZINC001157086726 970087572 /nfs/dbraw/zinc/08/75/72/970087572.db2.gz LAOMYUWRLTXRDT-UHFFFAOYSA-N 1 2 237.303 1.327 20 0 BDADLO Cc1ccc(C2([NH2+][C@@H]3CCN(C)C3)COC2)cc1 ZINC001255416337 970140092 /nfs/dbraw/zinc/14/00/92/970140092.db2.gz ZGFWKUCRRLDYAT-CQSZACIVSA-N 1 2 246.354 1.514 20 0 BDADLO COc1cc(C)[nH+]cc1-c1ccncn1 ZINC001242919071 970149054 /nfs/dbraw/zinc/14/90/54/970149054.db2.gz SECCPFTWKJVYSA-UHFFFAOYSA-N 1 2 201.229 1.856 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CCOc3ccccc3C2)C1 ZINC001255436902 970163942 /nfs/dbraw/zinc/16/39/42/970163942.db2.gz WPXQBXWIHKPDKT-CYBMUJFWSA-N 1 2 232.327 1.585 20 0 BDADLO CN1CC[C@@H]([N@H+]2CCOc3ccccc3C2)C1 ZINC001255436902 970163949 /nfs/dbraw/zinc/16/39/49/970163949.db2.gz WPXQBXWIHKPDKT-CYBMUJFWSA-N 1 2 232.327 1.585 20 0 BDADLO COC(=O)[C@@H]1CCCN(c2ccc(N)c[nH+]2)[C@@H]1C ZINC001157392941 970238467 /nfs/dbraw/zinc/23/84/67/970238467.db2.gz DKGYCUIPYMCXMY-MWLCHTKSSA-N 1 2 249.314 1.442 20 0 BDADLO Cc1ncsc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001324619259 970250517 /nfs/dbraw/zinc/25/05/17/970250517.db2.gz RGYPGYNXINNAPV-QMMMGPOBSA-N 1 2 236.300 1.848 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(=O)OC2 ZINC001243069106 970261474 /nfs/dbraw/zinc/26/14/74/970261474.db2.gz PNKNSPWUNKFXJU-UHFFFAOYSA-N 1 2 214.224 1.758 20 0 BDADLO CCSC[C@H](C)[NH2+]Cc1noc(C)n1 ZINC000300345067 970287401 /nfs/dbraw/zinc/28/74/01/970287401.db2.gz UAXCRXIMYLKQPR-ZETCQYMHSA-N 1 2 215.322 1.609 20 0 BDADLO COC(C)(C)[C@H](C)[NH2+]Cc1noc(C)n1 ZINC000300970083 970306152 /nfs/dbraw/zinc/30/61/52/970306152.db2.gz JELBPUGOXBNCOP-ZETCQYMHSA-N 1 2 213.281 1.281 20 0 BDADLO COC(C)(C)[C@H](C)[NH2+]CC(=O)OC(C)(C)C ZINC000301029355 970311949 /nfs/dbraw/zinc/31/19/49/970311949.db2.gz UDKWGDXTZXKTGT-VIFPVBQESA-N 1 2 231.336 1.731 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCOC2)o1 ZINC001255540079 970312619 /nfs/dbraw/zinc/31/26/19/970312619.db2.gz JZALRBYXNRKCAK-NXEZZACHSA-N 1 2 237.303 1.730 20 0 BDADLO C[N@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCOC2)o1 ZINC001255540079 970312628 /nfs/dbraw/zinc/31/26/28/970312628.db2.gz JZALRBYXNRKCAK-NXEZZACHSA-N 1 2 237.303 1.730 20 0 BDADLO COC(=O)c1ncn(-c2c[nH+]c(C)cc2C)c1N ZINC001213510745 970334678 /nfs/dbraw/zinc/33/46/78/970334678.db2.gz INOVJRUZNDMRTJ-UHFFFAOYSA-N 1 2 246.270 1.253 20 0 BDADLO C[C@@H]1CC[C@@H]([NH+]2CC(O)(C(F)(F)F)C2)C1 ZINC001170133820 970397750 /nfs/dbraw/zinc/39/77/50/970397750.db2.gz VDTPWPVJCKSDMP-HTQZYQBOSA-N 1 2 223.238 1.784 20 0 BDADLO CC[N@H+](C)Cc1nnc(C2CCOCC2)o1 ZINC001255673863 970453069 /nfs/dbraw/zinc/45/30/69/970453069.db2.gz YVGAEOMIQVGTDH-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CC[N@@H+](C)Cc1nnc(C2CCOCC2)o1 ZINC001255673863 970453079 /nfs/dbraw/zinc/45/30/79/970453079.db2.gz YVGAEOMIQVGTDH-UHFFFAOYSA-N 1 2 225.292 1.415 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC001170169526 970540379 /nfs/dbraw/zinc/54/03/79/970540379.db2.gz DQWIGOPKMKSAMA-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO C/C=C/C=C/C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170257765 970638400 /nfs/dbraw/zinc/63/84/00/970638400.db2.gz NNDLDRDGKFJBIM-MQQKCMAXSA-N 1 2 243.310 1.681 20 0 BDADLO CC[NH2+]Cc1noc(CC[C@@H]2CCOC2)n1 ZINC000401553303 970700485 /nfs/dbraw/zinc/70/04/85/970700485.db2.gz JNZXFTFQXLMCLG-SECBINFHSA-N 1 2 225.292 1.148 20 0 BDADLO CCOC(=O)[C@H](CC)OCc1c[nH+]cn1C ZINC001222600156 972598818 /nfs/dbraw/zinc/59/88/18/972598818.db2.gz LRLWYJUVJGQPJH-JTQLQIEISA-N 1 2 226.276 1.278 20 0 BDADLO C[C@@H]1COCC[C@H]1OCc1c[nH+]cn1C ZINC001222601156 972599056 /nfs/dbraw/zinc/59/90/56/972599056.db2.gz YNTIWHYYEOILDF-MWLCHTKSSA-N 1 2 210.277 1.362 20 0 BDADLO CCC[C@@H](OCc1c[nH+]cn1C)C(=O)OCC ZINC001222595424 972600144 /nfs/dbraw/zinc/60/01/44/972600144.db2.gz ZITCBVWLPRRBBQ-LLVKDONJSA-N 1 2 240.303 1.669 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnc[nH]2)CCc2ccccc21 ZINC001327571608 972645214 /nfs/dbraw/zinc/64/52/14/972645214.db2.gz CNEYHAXJLUCQRB-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnc[nH]2)CCc2ccccc21 ZINC001327571608 972645228 /nfs/dbraw/zinc/64/52/28/972645228.db2.gz CNEYHAXJLUCQRB-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc[nH]n2)CCc2ccccc21 ZINC001327571608 972645233 /nfs/dbraw/zinc/64/52/33/972645233.db2.gz CNEYHAXJLUCQRB-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc[nH]n2)CCc2ccccc21 ZINC001327571608 972645243 /nfs/dbraw/zinc/64/52/43/972645243.db2.gz CNEYHAXJLUCQRB-NSHDSACASA-N 1 2 242.326 1.967 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144179358 972651340 /nfs/dbraw/zinc/65/13/40/972651340.db2.gz BCGPGPYTMVARBC-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144179358 972651344 /nfs/dbraw/zinc/65/13/44/972651344.db2.gz BCGPGPYTMVARBC-UHFFFAOYSA-N 1 2 246.314 1.083 20 0 BDADLO CCOC1C[NH+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144168728 972664439 /nfs/dbraw/zinc/66/44/39/972664439.db2.gz JGQGXJBQEHHLTP-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO Fc1ccc2n[nH]c(C[NH+]3CCC3)c2c1 ZINC001144186646 972678091 /nfs/dbraw/zinc/67/80/91/972678091.db2.gz BYUBDLOLZQWGGE-UHFFFAOYSA-N 1 2 205.236 1.908 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)nc1 ZINC001144419659 972815451 /nfs/dbraw/zinc/81/54/51/972815451.db2.gz CRDUSBYMFIVKCY-SKDRFNHKSA-N 1 2 224.279 1.880 20 0 BDADLO CC(C)[NH+]1CC(OC(=O)c2ccccc2)C1 ZINC001223147392 972855861 /nfs/dbraw/zinc/85/58/61/972855861.db2.gz RKYXBGFVSWBTTO-UHFFFAOYSA-N 1 2 219.284 1.936 20 0 BDADLO c1[nH+]c(CN2CC(C3COC3)C2)c2ccccn12 ZINC001144611218 972885540 /nfs/dbraw/zinc/88/55/40/972885540.db2.gz KMDJXQPEOGOOSP-UHFFFAOYSA-N 1 2 243.310 1.413 20 0 BDADLO C[C@H]1CN(Cc2[nH+]cn3ccccc23)CC[C@@H]1O ZINC001144614836 972891323 /nfs/dbraw/zinc/89/13/23/972891323.db2.gz AANMTVZGIZUIDQ-FZMZJTMJSA-N 1 2 245.326 1.537 20 0 BDADLO C[C@@H]1C[C@H](O)CCN1Cc1[nH+]cn2ccccc12 ZINC001144624679 972891371 /nfs/dbraw/zinc/89/13/71/972891371.db2.gz PSUOPUCLBIPTFI-VXGBXAGGSA-N 1 2 245.326 1.680 20 0 BDADLO CON(C(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001328201265 972898415 /nfs/dbraw/zinc/89/84/15/972898415.db2.gz KKARABOCYKVBPJ-SECBINFHSA-N 1 2 211.265 1.243 20 0 BDADLO CC(C)[NH+]1CC(OCc2cncs2)C1 ZINC001223276124 972916042 /nfs/dbraw/zinc/91/60/42/972916042.db2.gz OFXNJKPKSVJDOB-UHFFFAOYSA-N 1 2 212.318 1.752 20 0 BDADLO C[NH+]1CC(NC(=O)Cc2ccc(C3CC3)cc2)C1 ZINC001144724128 972964225 /nfs/dbraw/zinc/96/42/25/972964225.db2.gz OLMUPUMNTUWWGC-UHFFFAOYSA-N 1 2 244.338 1.537 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC/C=C/C1CC1 ZINC001328396189 972998982 /nfs/dbraw/zinc/99/89/82/972998982.db2.gz UQTBNIVQMUHJSP-OWOJBTEDSA-N 1 2 205.261 1.035 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OCc1nccs1 ZINC001223351312 973001064 /nfs/dbraw/zinc/00/10/64/973001064.db2.gz AQMXOGGCZCQIJB-JTQLQIEISA-N 1 2 242.344 1.380 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnc[nH]2)CC1(C)C ZINC001328410968 973037603 /nfs/dbraw/zinc/03/76/03/973037603.db2.gz YDVBXGZOLUTIOD-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)CC1(C)C ZINC001328410968 973037623 /nfs/dbraw/zinc/03/76/23/973037623.db2.gz YDVBXGZOLUTIOD-VIFPVBQESA-N 1 2 208.309 1.673 20 0 BDADLO Cc1cc(COC[C@H]2COCCO2)cc(C)[nH+]1 ZINC001223418880 973048106 /nfs/dbraw/zinc/04/81/06/973048106.db2.gz CIFDIPUNLNWTNP-CYBMUJFWSA-N 1 2 237.299 1.630 20 0 BDADLO Cc1cc(COC[C@@H]2CCC(=O)O2)cc(C)[nH+]1 ZINC001223418783 973050831 /nfs/dbraw/zinc/05/08/31/973050831.db2.gz AOYYXJUJGHIEHQ-LBPRGKRZSA-N 1 2 235.283 1.921 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H]2OCC[C@@H]2C1)n1cc[nH+]c1 ZINC001328569754 973149916 /nfs/dbraw/zinc/14/99/16/973149916.db2.gz XGRAJARUADHUOY-UTUOFQBUSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@@H](C(=O)NC[C@@H]1CC[C@@H](C)O1)n1cc[nH+]c1 ZINC001328615129 973196411 /nfs/dbraw/zinc/19/64/11/973196411.db2.gz DAMUFINXNSAMMG-VWYCJHECSA-N 1 2 237.303 1.128 20 0 BDADLO C[C@@H]1CC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001328648643 973227606 /nfs/dbraw/zinc/22/76/06/973227606.db2.gz DOXFECJIZMPERR-NXEZZACHSA-N 1 2 229.283 1.863 20 0 BDADLO c1c[nH]c(C[NH+]2CCC(OC3CCC3)CC2)n1 ZINC001171285871 973260958 /nfs/dbraw/zinc/26/09/58/973260958.db2.gz DOQBEOGSCDBEBS-UHFFFAOYSA-N 1 2 235.331 1.943 20 0 BDADLO CC[NH+]1CC(O[C@H](C)c2nccs2)C1 ZINC001224004694 973396700 /nfs/dbraw/zinc/39/67/00/973396700.db2.gz XDAGOVTXVMOLNA-MRVPVSSYSA-N 1 2 212.318 1.925 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOC(C)(C)C ZINC001329266972 973623008 /nfs/dbraw/zinc/62/30/08/973623008.db2.gz GMQKYBCAMQSZSR-RKDXNWHRSA-N 1 2 237.303 1.370 20 0 BDADLO Cn1cnnc1C[NH2+][C@H]1CCCc2ncccc21 ZINC001329296897 973646138 /nfs/dbraw/zinc/64/61/38/973646138.db2.gz CKJBIHKJVHLZAS-LBPRGKRZSA-N 1 2 243.314 1.377 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccnn1C ZINC001329307074 973661535 /nfs/dbraw/zinc/66/15/35/973661535.db2.gz NIFHILRZLMASNK-ZJUUUORDSA-N 1 2 231.303 1.412 20 0 BDADLO c1ccc(C[NH+]2CC(OC[C@@H]3CCO3)C2)cc1 ZINC001224470937 973677977 /nfs/dbraw/zinc/67/79/77/973677977.db2.gz LCYSJXZQYRTBGF-ZDUSSCGKSA-N 1 2 233.311 1.676 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccc(C(C)(C)C)nc2)C1 ZINC001147805964 973766617 /nfs/dbraw/zinc/76/66/17/973766617.db2.gz YWYVNPVECCFQGN-UHFFFAOYSA-N 1 2 247.342 1.423 20 0 BDADLO CCC(O)(CC)C[N@H+](C)Cc1cc(C)[nH]n1 ZINC001329536966 973817509 /nfs/dbraw/zinc/81/75/09/973817509.db2.gz GMRQWHAZXAIVNR-UHFFFAOYSA-N 1 2 225.336 1.701 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001329536966 973817518 /nfs/dbraw/zinc/81/75/18/973817518.db2.gz GMRQWHAZXAIVNR-UHFFFAOYSA-N 1 2 225.336 1.701 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1Cc2cccnc2C1 ZINC001329671418 973876608 /nfs/dbraw/zinc/87/66/08/973876608.db2.gz MMYSXVNAHBACSP-UHFFFAOYSA-N 1 2 242.282 1.198 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1F ZINC001299323989 973907413 /nfs/dbraw/zinc/90/74/13/973907413.db2.gz HUHXXSZZUDFXML-GHMZBOCLSA-N 1 2 239.294 1.739 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1F ZINC001299323989 973907434 /nfs/dbraw/zinc/90/74/34/973907434.db2.gz HUHXXSZZUDFXML-GHMZBOCLSA-N 1 2 239.294 1.739 20 0 BDADLO C[C@H]1CCCCN1c1cc(N(C)C)[nH+]cn1 ZINC000585414990 973908989 /nfs/dbraw/zinc/90/89/89/973908989.db2.gz GPYIKLILMGLHFP-JTQLQIEISA-N 1 2 220.320 1.921 20 0 BDADLO C[C@H]1CCCCN1c1cc(N(C)C)nc[nH+]1 ZINC000585414990 973909004 /nfs/dbraw/zinc/90/90/04/973909004.db2.gz GPYIKLILMGLHFP-JTQLQIEISA-N 1 2 220.320 1.921 20 0 BDADLO CN(C)c1cc(NCc2ccccn2)[nH+]cn1 ZINC000585414930 973912716 /nfs/dbraw/zinc/91/27/16/973912716.db2.gz CVKPCRDYKHKEKM-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CN(C)c1cc(NCc2ccccn2)nc[nH+]1 ZINC000585414930 973912733 /nfs/dbraw/zinc/91/27/33/973912733.db2.gz CVKPCRDYKHKEKM-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO C[C@@H](C(=O)Nc1nc(C2CC2)c[nH]1)n1cc[nH+]c1 ZINC001329813957 973950566 /nfs/dbraw/zinc/95/05/66/973950566.db2.gz CICIFPJJXOBOAW-QMMMGPOBSA-N 1 2 245.286 1.683 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC001329857500 973973354 /nfs/dbraw/zinc/97/33/54/973973354.db2.gz LYWMZBVCYVEVFN-UKKRHICBSA-N 1 2 249.314 1.054 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC001329857500 973973374 /nfs/dbraw/zinc/97/33/74/973973374.db2.gz LYWMZBVCYVEVFN-UKKRHICBSA-N 1 2 249.314 1.054 20 0 BDADLO Cc1nc(NCCNC(=O)C2CC(C)C2)cc[nH+]1 ZINC001093550941 974029221 /nfs/dbraw/zinc/02/92/21/974029221.db2.gz HHGJLXCTCNBCPE-UHFFFAOYSA-N 1 2 248.330 1.359 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC001329937692 974037974 /nfs/dbraw/zinc/03/79/74/974037974.db2.gz AURUHZWYYDCLPF-PWSUYJOCSA-N 1 2 243.314 1.777 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC001329937690 974040363 /nfs/dbraw/zinc/04/03/63/974040363.db2.gz AURUHZWYYDCLPF-JQWIXIFHSA-N 1 2 243.314 1.777 20 0 BDADLO CC[C@@H](F)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094039388 974047459 /nfs/dbraw/zinc/04/74/59/974047459.db2.gz KNTPCKMWEWNWHT-SECBINFHSA-N 1 2 240.282 1.061 20 0 BDADLO CN(C)C(=O)N1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC001171530853 974084683 /nfs/dbraw/zinc/08/46/83/974084683.db2.gz SZILBDSUMIHCOE-LLVKDONJSA-N 1 2 248.330 1.640 20 0 BDADLO c1cncc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001204077186 974206944 /nfs/dbraw/zinc/20/69/44/974206944.db2.gz JDMGWOSRUXFCOC-VXGBXAGGSA-N 1 2 204.273 1.445 20 0 BDADLO c1cncc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001204077186 974206962 /nfs/dbraw/zinc/20/69/62/974206962.db2.gz JDMGWOSRUXFCOC-VXGBXAGGSA-N 1 2 204.273 1.445 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C)[nH]n2)CC1(C)C ZINC001330532073 974294984 /nfs/dbraw/zinc/29/49/84/974294984.db2.gz CDOJKQYLCDMFFF-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)CC1(C)C ZINC001330532073 974294995 /nfs/dbraw/zinc/29/49/95/974294995.db2.gz CDOJKQYLCDMFFF-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO COC(=O)[C@H]1C[C@H](Oc2cc[nH+]cc2)C1 ZINC001225290851 974360535 /nfs/dbraw/zinc/36/05/35/974360535.db2.gz KCSITIBTYLZADP-CZMCAQCFSA-N 1 2 207.229 1.412 20 0 BDADLO C[C@@H](O)CCCC(=O)Oc1cc[nH+]cc1 ZINC001225291754 974365692 /nfs/dbraw/zinc/36/56/92/974365692.db2.gz YDLHGUWAIWOZGB-SECBINFHSA-N 1 2 209.245 1.538 20 0 BDADLO CC(=O)C1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001330676479 974406954 /nfs/dbraw/zinc/40/69/54/974406954.db2.gz PUGORTNXVMKCDR-MRVPVSSYSA-N 1 2 237.303 1.740 20 0 BDADLO Cc1ccncc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001225410836 974470534 /nfs/dbraw/zinc/47/05/34/974470534.db2.gz HGKYEAJREPFAIM-LBPRGKRZSA-N 1 2 236.315 1.490 20 0 BDADLO CS[C@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001330789595 974470862 /nfs/dbraw/zinc/47/08/62/974470862.db2.gz NCBGVPSNWBJQTC-ZJUUUORDSA-N 1 2 239.344 1.408 20 0 BDADLO C[C@H](C(=O)N1CCC[C@@H](CF)C1)n1cc[nH+]c1 ZINC001330790453 974471636 /nfs/dbraw/zinc/47/16/36/974471636.db2.gz FQOIJEOTPTYFRH-MNOVXSKESA-N 1 2 239.294 1.652 20 0 BDADLO CC[NH+]1CC(Oc2cnc(C(F)F)nc2)C1 ZINC001225426290 974481419 /nfs/dbraw/zinc/48/14/19/974481419.db2.gz LQAHOJSFGFRBQU-UHFFFAOYSA-N 1 2 229.230 1.497 20 0 BDADLO CO[C@@H]1CC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC001330829749 974491225 /nfs/dbraw/zinc/49/12/25/974491225.db2.gz VZWOLNACMZCZTD-GHMZBOCLSA-N 1 2 222.288 1.553 20 0 BDADLO Cc1nc(C[N@@H+](C)C2C[C@@H]3C=C[C@H](C2)O3)no1 ZINC001172238880 974500060 /nfs/dbraw/zinc/50/00/60/974500060.db2.gz UFTATEJADZFKQW-FGWVZKOKSA-N 1 2 235.287 1.296 20 0 BDADLO Cc1nc(C[N@H+](C)C2C[C@@H]3C=C[C@H](C2)O3)no1 ZINC001172238880 974500070 /nfs/dbraw/zinc/50/00/70/974500070.db2.gz UFTATEJADZFKQW-FGWVZKOKSA-N 1 2 235.287 1.296 20 0 BDADLO CCNC(=O)c1ccccc1OC1C[NH+](CC)C1 ZINC001225487668 974525714 /nfs/dbraw/zinc/52/57/14/974525714.db2.gz VWSSBUYNWGXBNC-UHFFFAOYSA-N 1 2 248.326 1.519 20 0 BDADLO C[N@H+](Cc1ncccn1)[C@@H]1COC(C)(C)C1 ZINC001172283883 974547568 /nfs/dbraw/zinc/54/75/68/974547568.db2.gz MJWBXPUDBNSCRH-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[N@@H+](Cc1ncccn1)[C@@H]1COC(C)(C)C1 ZINC001172283883 974547570 /nfs/dbraw/zinc/54/75/70/974547570.db2.gz MJWBXPUDBNSCRH-JTQLQIEISA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H](C(=O)N1CC[C@@H](CF)C1)n1cc[nH+]c1 ZINC001331259033 974664000 /nfs/dbraw/zinc/66/40/00/974664000.db2.gz WPGRQDDDDBJOTF-UWVGGRQHSA-N 1 2 225.267 1.262 20 0 BDADLO CCOCC[C@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001172418297 974691876 /nfs/dbraw/zinc/69/18/76/974691876.db2.gz XJICOJKDXLFRJS-JTQLQIEISA-N 1 2 236.306 1.342 20 0 BDADLO CC(C)OCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC001172434425 974723042 /nfs/dbraw/zinc/72/30/42/974723042.db2.gz PIPZTCVSSLFSFO-ZJUUUORDSA-N 1 2 215.293 1.095 20 0 BDADLO CC[NH+]1CC(Oc2cccc3n[nH]nc32)C1 ZINC001225996552 974757074 /nfs/dbraw/zinc/75/70/74/974757074.db2.gz KNHRPLVTOJILBX-UHFFFAOYSA-N 1 2 218.260 1.041 20 0 BDADLO CC[C@H](CC(C)C)[NH+]1CC(F)(CO)C1 ZINC001172398210 974759702 /nfs/dbraw/zinc/75/97/02/974759702.db2.gz UFIHKEDKQXOKNL-SNVBAGLBSA-N 1 2 203.301 1.827 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2cc(C)co2)CCO1 ZINC001331582833 974769555 /nfs/dbraw/zinc/76/95/55/974769555.db2.gz JOCOHCDZVXWJDM-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)co2)CCO1 ZINC001331582833 974769560 /nfs/dbraw/zinc/76/95/60/974769560.db2.gz JOCOHCDZVXWJDM-ZDUSSCGKSA-N 1 2 239.315 1.825 20 0 BDADLO Cc1c[nH]c(-c2noc([C@H](C)n3cc[nH+]c3)n2)n1 ZINC001331618644 974777825 /nfs/dbraw/zinc/77/78/25/974777825.db2.gz OZBJXPHSAHZJBD-QMMMGPOBSA-N 1 2 244.258 1.574 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CC1(OC)CCC1)C1CC1 ZINC001331689665 974791665 /nfs/dbraw/zinc/79/16/65/974791665.db2.gz NSUOVKJGURZFAH-LLVKDONJSA-N 1 2 241.331 1.487 20 0 BDADLO CC(C)OCC[C@H](C)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001172453923 974816799 /nfs/dbraw/zinc/81/67/99/974816799.db2.gz HLGVZZJRAQPFFC-AVGNSLFASA-N 1 2 226.364 1.578 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3c2CCC3)C1 ZINC001226382404 974872821 /nfs/dbraw/zinc/87/28/21/974872821.db2.gz BIBVACKVCYNPTN-UHFFFAOYSA-N 1 2 219.288 1.048 20 0 BDADLO CC[NH+]1CC(Oc2nnnc3ccccc32)C1 ZINC001226402210 974883105 /nfs/dbraw/zinc/88/31/05/974883105.db2.gz SPWMEPQBYOKYQY-UHFFFAOYSA-N 1 2 230.271 1.108 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2noc3ccccc32)C1 ZINC001226401993 974883576 /nfs/dbraw/zinc/88/35/76/974883576.db2.gz DDEUTXRKFHGVCZ-SNVBAGLBSA-N 1 2 248.282 1.537 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2noc3ccccc32)C1 ZINC001226401993 974883580 /nfs/dbraw/zinc/88/35/80/974883580.db2.gz DDEUTXRKFHGVCZ-SNVBAGLBSA-N 1 2 248.282 1.537 20 0 BDADLO CC(C)[NH+]1CC(Oc2ccc(Cl)nn2)C1 ZINC001226453226 974904510 /nfs/dbraw/zinc/90/45/10/974904510.db2.gz KREFXTRVDLIEPW-UHFFFAOYSA-N 1 2 227.695 1.601 20 0 BDADLO COC(=O)N1CCC([NH2+][C@H]2CC2(F)F)CC1 ZINC001172732030 974911047 /nfs/dbraw/zinc/91/10/47/974911047.db2.gz URFFMKXBTSNOOG-QMMMGPOBSA-N 1 2 234.246 1.214 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC001172929251 974980566 /nfs/dbraw/zinc/98/05/66/974980566.db2.gz DUPRCJSCNTWWOL-WDEREUQCSA-N 1 2 239.319 1.767 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC001172929251 974980561 /nfs/dbraw/zinc/98/05/61/974980561.db2.gz DUPRCJSCNTWWOL-WDEREUQCSA-N 1 2 239.319 1.767 20 0 BDADLO CO[C@H]1CCC[C@@H]([NH+]2CC(C)(F)C2)C1 ZINC001172931664 974981933 /nfs/dbraw/zinc/98/19/33/974981933.db2.gz PFDZQPOCSRSWDC-ZJUUUORDSA-N 1 2 201.285 1.988 20 0 BDADLO CC[NH+]1CC(Oc2cccc3c2OCCO3)C1 ZINC001226631421 974986075 /nfs/dbraw/zinc/98/60/75/974986075.db2.gz ZBAXQCRUPPCKQJ-UHFFFAOYSA-N 1 2 235.283 1.541 20 0 BDADLO CCc1nccc(NCCn2cc[nH+]c2)n1 ZINC001332183227 974999081 /nfs/dbraw/zinc/99/90/81/974999081.db2.gz REQAQJBZKGUMLF-UHFFFAOYSA-N 1 2 217.276 1.348 20 0 BDADLO CCOC1CC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001332307323 975048775 /nfs/dbraw/zinc/04/87/75/975048775.db2.gz CMOUGVICJSUJGL-AKJDGMEZSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccn2C)CCC1=O ZINC001203254360 975056686 /nfs/dbraw/zinc/05/66/86/975056686.db2.gz UVXGSEQQKBKVCZ-SNVBAGLBSA-N 1 2 206.289 1.436 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccn2C)CCC1=O ZINC001203254360 975056694 /nfs/dbraw/zinc/05/66/94/975056694.db2.gz UVXGSEQQKBKVCZ-SNVBAGLBSA-N 1 2 206.289 1.436 20 0 BDADLO CC[NH2+]Cc1noc(C2(CF)CCC2)n1 ZINC001332358352 975069794 /nfs/dbraw/zinc/06/97/94/975069794.db2.gz ICOCGIRXIGKHNG-UHFFFAOYSA-N 1 2 213.256 1.570 20 0 BDADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)o1 ZINC001095070776 975074467 /nfs/dbraw/zinc/07/44/67/975074467.db2.gz LEXSNGZDMWXXKW-WOPDTQHZSA-N 1 2 249.314 1.224 20 0 BDADLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)o1 ZINC001095070776 975074474 /nfs/dbraw/zinc/07/44/74/975074474.db2.gz LEXSNGZDMWXXKW-WOPDTQHZSA-N 1 2 249.314 1.224 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001332400627 975094443 /nfs/dbraw/zinc/09/44/43/975094443.db2.gz IOSPWNSEEWECSQ-VXJOIVPMSA-N 1 2 229.305 1.088 20 0 BDADLO C[N@@H+]1CCO[C@H](COc2ccc3cc[nH]c3n2)C1 ZINC001226807158 975095503 /nfs/dbraw/zinc/09/55/03/975095503.db2.gz JFGGQCXJEFOJIU-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO C[N@H+]1CCO[C@H](COc2ccc3cc[nH]c3n2)C1 ZINC001226807158 975095508 /nfs/dbraw/zinc/09/55/08/975095508.db2.gz JFGGQCXJEFOJIU-NSHDSACASA-N 1 2 247.298 1.272 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CC2(CC2(F)F)C1 ZINC001332689325 975253262 /nfs/dbraw/zinc/25/32/62/975253262.db2.gz VEOVKHWDFIYFNU-UHFFFAOYSA-N 1 2 241.241 1.256 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001332711354 975268441 /nfs/dbraw/zinc/26/84/41/975268441.db2.gz JJAXBXZNKMVKMO-OCAPTIKFSA-N 1 2 241.241 1.066 20 0 BDADLO Cc1[nH]c(CNC(=O)CC2(C)CC2)[nH+]c1C ZINC001332756400 975278064 /nfs/dbraw/zinc/27/80/64/975278064.db2.gz GYBTZVKWPAPTOX-UHFFFAOYSA-N 1 2 221.304 1.833 20 0 BDADLO Cn1ccc(C[NH2+]Cc2noc3c2COCC3)c1 ZINC001332798625 975288506 /nfs/dbraw/zinc/28/85/06/975288506.db2.gz UUTMSYKMNABDFV-UHFFFAOYSA-N 1 2 247.298 1.376 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C/C=C(\C)COC)C(=O)OC ZINC001332884062 975307549 /nfs/dbraw/zinc/30/75/49/975307549.db2.gz KXSAGPXFIVGTKH-SKWDFFSCSA-N 1 2 243.347 1.756 20 0 BDADLO Cn1cnc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001206198894 975365441 /nfs/dbraw/zinc/36/54/41/975365441.db2.gz OPGKLXUDWHZCHO-JTQLQIEISA-N 1 2 211.284 1.744 20 0 BDADLO Cn1cnc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001206198894 975365447 /nfs/dbraw/zinc/36/54/47/975365447.db2.gz OPGKLXUDWHZCHO-JTQLQIEISA-N 1 2 211.284 1.744 20 0 BDADLO Cc1noc(C)c1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001333091677 975410293 /nfs/dbraw/zinc/41/02/93/975410293.db2.gz SHBAMPNLZDMOBA-UHFFFAOYSA-N 1 2 248.286 1.216 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)ccc2O)C1 ZINC001227536586 975517409 /nfs/dbraw/zinc/51/74/09/975517409.db2.gz LAQHDPSKZYPCDK-UHFFFAOYSA-N 1 2 207.273 1.784 20 0 BDADLO Cc1nc([C@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)no1 ZINC001333399780 975754374 /nfs/dbraw/zinc/75/43/74/975754374.db2.gz COZBYYHNFUBFBP-WCBMZHEXSA-N 1 2 239.319 1.844 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]2CO)c(C)s1 ZINC001333452603 975785789 /nfs/dbraw/zinc/78/57/89/975785789.db2.gz QPTHFCNQGOWUSG-VIFPVBQESA-N 1 2 212.318 1.327 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]2CO)c(C)s1 ZINC001333452603 975785805 /nfs/dbraw/zinc/78/58/05/975785805.db2.gz QPTHFCNQGOWUSG-VIFPVBQESA-N 1 2 212.318 1.327 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC001333472819 975804380 /nfs/dbraw/zinc/80/43/80/975804380.db2.gz WPTGCPSSXNGNSH-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC001333472819 975804386 /nfs/dbraw/zinc/80/43/86/975804386.db2.gz WPTGCPSSXNGNSH-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO S=c1ccnc(O[C@@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC001228129085 975927126 /nfs/dbraw/zinc/92/71/26/975927126.db2.gz WHHOJMNQBUXORX-MRVPVSSYSA-N 1 2 248.311 1.356 20 0 BDADLO Cc1cc(OC2C[NH+](C(C)C)C2)nc(C)n1 ZINC001228140687 975938585 /nfs/dbraw/zinc/93/85/85/975938585.db2.gz KOCNJYVMKARMMG-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)ccc2C(=O)OC)C1 ZINC001228196219 975992378 /nfs/dbraw/zinc/99/23/78/975992378.db2.gz IANOZJVMZSTSBX-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001333813545 976100655 /nfs/dbraw/zinc/10/06/55/976100655.db2.gz CCMKYPJHULGEEQ-GMTAPVOTSA-N 1 2 221.304 1.749 20 0 BDADLO O=c1sccn1C[N@H+]1CC[C@H](CF)C1 ZINC001333812508 976104071 /nfs/dbraw/zinc/10/40/71/976104071.db2.gz JKSDQXVUWDOSAD-MRVPVSSYSA-N 1 2 216.281 1.159 20 0 BDADLO O=c1sccn1C[N@@H+]1CC[C@H](CF)C1 ZINC001333812508 976104078 /nfs/dbraw/zinc/10/40/78/976104078.db2.gz JKSDQXVUWDOSAD-MRVPVSSYSA-N 1 2 216.281 1.159 20 0 BDADLO Cc1cnc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)o1 ZINC001333984157 976196176 /nfs/dbraw/zinc/19/61/76/976196176.db2.gz LEBPQNONODHNTL-ZETCQYMHSA-N 1 2 234.259 1.523 20 0 BDADLO Cc1cnc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)o1 ZINC001333984157 976196186 /nfs/dbraw/zinc/19/61/86/976196186.db2.gz LEBPQNONODHNTL-ZETCQYMHSA-N 1 2 234.259 1.523 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3ccncc32)C1 ZINC001228633918 976388107 /nfs/dbraw/zinc/38/81/07/976388107.db2.gz SUHNDRPCGVFNCO-UHFFFAOYSA-N 1 2 230.271 1.108 20 0 BDADLO CC[N@@H+]1CCC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228662685 976418805 /nfs/dbraw/zinc/41/88/05/976418805.db2.gz KIJICEFUWWGRAH-LLVKDONJSA-N 1 2 246.314 1.821 20 0 BDADLO CC[N@H+]1CCC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228662685 976418814 /nfs/dbraw/zinc/41/88/14/976418814.db2.gz KIJICEFUWWGRAH-LLVKDONJSA-N 1 2 246.314 1.821 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C1CC1 ZINC001334433082 976515857 /nfs/dbraw/zinc/51/58/57/976515857.db2.gz GNDYDNWYYREEOZ-JGLYPNHGSA-N 1 2 245.326 1.606 20 0 BDADLO CCOc1cc[nH+]cc1Nc1cnn(C)c1 ZINC001174328974 976528781 /nfs/dbraw/zinc/52/87/81/976528781.db2.gz WDVRFODYIIWHDZ-UHFFFAOYSA-N 1 2 218.260 1.957 20 0 BDADLO Cc1cc(Nc2cc[nH+]cc2C)cc(=O)o1 ZINC001174535884 976811601 /nfs/dbraw/zinc/81/16/01/976811601.db2.gz BDZCPYYYFTWTAR-UHFFFAOYSA-N 1 2 216.240 1.817 20 0 BDADLO C[C@@H](C(=O)NN1CCCC[C@H]1C)n1cc[nH+]c1 ZINC001335042674 976832023 /nfs/dbraw/zinc/83/20/23/976832023.db2.gz LICRGZBROWWFHY-MNOVXSKESA-N 1 2 236.319 1.350 20 0 BDADLO CC(C)[NH+]1CC(Oc2n[nH]c3c2CCC3)C1 ZINC001229328485 976838270 /nfs/dbraw/zinc/83/82/70/976838270.db2.gz OXCMDGXNPCQBFK-UHFFFAOYSA-N 1 2 221.304 1.370 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc[nH]2)cc1C ZINC001335200580 976883570 /nfs/dbraw/zinc/88/35/70/976883570.db2.gz WBGNAQRECUMBFJ-SNVBAGLBSA-N 1 2 246.314 1.973 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2nonc2C)s1 ZINC001335210933 976886630 /nfs/dbraw/zinc/88/66/30/976886630.db2.gz KQWBUFSPJAKGOK-ZCFIWIBFSA-N 1 2 238.316 1.994 20 0 BDADLO Cc1cc(Nc2c[nH]ccc2=O)cc[nH+]1 ZINC001174655231 976942483 /nfs/dbraw/zinc/94/24/83/976942483.db2.gz ZFSCAHIQCXBQSA-UHFFFAOYSA-N 1 2 201.229 1.244 20 0 BDADLO C[C@H](C(=O)NC[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC001335324660 976961701 /nfs/dbraw/zinc/96/17/01/976961701.db2.gz NCRUIWUBAJHQNQ-WZRBSPASSA-N 1 2 233.315 1.751 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@H](CF)C1)n1cc[nH+]c1 ZINC001330790456 977000511 /nfs/dbraw/zinc/00/05/11/977000511.db2.gz FQOIJEOTPTYFRH-WDEREUQCSA-N 1 2 239.294 1.652 20 0 BDADLO CCn1nc(C)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001335364181 977002727 /nfs/dbraw/zinc/00/27/27/977002727.db2.gz NCTXBJVQIMBHPT-SNVBAGLBSA-N 1 2 247.302 1.608 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)C1CCC1)n1cc[nH+]c1 ZINC001335774300 977276072 /nfs/dbraw/zinc/27/60/72/977276072.db2.gz KTNFGAIKNVXKLP-VHSXEESVSA-N 1 2 221.304 1.749 20 0 BDADLO CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001230619443 977277199 /nfs/dbraw/zinc/27/71/99/977277199.db2.gz LPLQEZQLAQEJTJ-SNVBAGLBSA-N 1 2 216.300 1.289 20 0 BDADLO CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001230619443 977277216 /nfs/dbraw/zinc/27/72/16/977277216.db2.gz LPLQEZQLAQEJTJ-SNVBAGLBSA-N 1 2 216.300 1.289 20 0 BDADLO CC(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001230801852 977333730 /nfs/dbraw/zinc/33/37/30/977333730.db2.gz BGFOKUIWTSRGNC-QZPNVGJNSA-N 1 2 244.766 1.928 20 0 BDADLO CC(C)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001230801852 977333741 /nfs/dbraw/zinc/33/37/41/977333741.db2.gz BGFOKUIWTSRGNC-QZPNVGJNSA-N 1 2 244.766 1.928 20 0 BDADLO CC1CC(C[N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001335890500 977349617 /nfs/dbraw/zinc/34/96/17/977349617.db2.gz FQTPOSDLELXZNW-RTBKNWGFSA-N 1 2 219.275 1.734 20 0 BDADLO CC1CC(C[N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001335890500 977349622 /nfs/dbraw/zinc/34/96/22/977349622.db2.gz FQTPOSDLELXZNW-RTBKNWGFSA-N 1 2 219.275 1.734 20 0 BDADLO Oc1cc2c(cc1O[C@H]1CCCOC1)CC[NH+]=C2 ZINC001230920854 977382972 /nfs/dbraw/zinc/38/29/72/977382972.db2.gz WGROTENWOWZNKO-LBPRGKRZSA-N 1 2 247.294 1.925 20 0 BDADLO CN(C)c1ccc(Nc2ccncn2)c[nH+]1 ZINC001175338110 977385660 /nfs/dbraw/zinc/38/56/60/977385660.db2.gz NIIOQCUEKAXONP-UHFFFAOYSA-N 1 2 215.260 1.681 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1(C)CC1 ZINC001336212248 977573428 /nfs/dbraw/zinc/57/34/28/977573428.db2.gz AHAHRNMSSMJOGX-NXEZZACHSA-N 1 2 221.304 1.749 20 0 BDADLO Cc1ccnnc1N=C1CCC[N@@H+](C)C1 ZINC001175576020 977577550 /nfs/dbraw/zinc/57/75/50/977577550.db2.gz BFNNRDLDIYBHIG-UHFFFAOYSA-N 1 2 204.277 1.416 20 0 BDADLO Cc1ccnnc1N=C1CCC[N@H+](C)C1 ZINC001175576020 977577561 /nfs/dbraw/zinc/57/75/61/977577561.db2.gz BFNNRDLDIYBHIG-UHFFFAOYSA-N 1 2 204.277 1.416 20 0 BDADLO CNC(=O)c1cccnc1NC1=CCC[N@H+](C)C1 ZINC001175577798 977586644 /nfs/dbraw/zinc/58/66/44/977586644.db2.gz VIALXQSPXITJQF-UHFFFAOYSA-N 1 2 246.314 1.073 20 0 BDADLO CNC(=O)c1cccnc1NC1=CCC[N@@H+](C)C1 ZINC001175577798 977586653 /nfs/dbraw/zinc/58/66/53/977586653.db2.gz VIALXQSPXITJQF-UHFFFAOYSA-N 1 2 246.314 1.073 20 0 BDADLO CNC(=O)c1cccnc1N=C1CCC[N@H+](C)C1 ZINC001175577798 977586660 /nfs/dbraw/zinc/58/66/60/977586660.db2.gz VIALXQSPXITJQF-UHFFFAOYSA-N 1 2 246.314 1.073 20 0 BDADLO CNC(=O)c1cccnc1N=C1CCC[N@@H+](C)C1 ZINC001175577798 977586669 /nfs/dbraw/zinc/58/66/69/977586669.db2.gz VIALXQSPXITJQF-UHFFFAOYSA-N 1 2 246.314 1.073 20 0 BDADLO CC/C=C\CC[N@@H+]1CCc2c([nH]nc2C(N)=O)C1 ZINC001277518912 977594103 /nfs/dbraw/zinc/59/41/03/977594103.db2.gz FIPLLWRNRVFXOT-ARJAWSKDSA-N 1 2 248.330 1.223 20 0 BDADLO CC/C=C\CC[N@H+]1CCc2c([nH]nc2C(N)=O)C1 ZINC001277518912 977594113 /nfs/dbraw/zinc/59/41/13/977594113.db2.gz FIPLLWRNRVFXOT-ARJAWSKDSA-N 1 2 248.330 1.223 20 0 BDADLO c1[nH]c2cccnc2c1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001231491261 977613617 /nfs/dbraw/zinc/61/36/17/977613617.db2.gz KBPPNFRVVIJZOI-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO c1[nH]c2cccnc2c1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001231491261 977613619 /nfs/dbraw/zinc/61/36/19/977613619.db2.gz KBPPNFRVVIJZOI-PHIMTYICSA-N 1 2 229.283 1.536 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2cccnc12 ZINC001231492709 977615436 /nfs/dbraw/zinc/61/54/36/977615436.db2.gz CUMDCYUXNGBCBC-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2cccnc12 ZINC001231492709 977615443 /nfs/dbraw/zinc/61/54/43/977615443.db2.gz CUMDCYUXNGBCBC-UHFFFAOYSA-N 1 2 247.298 1.558 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c2cnccc12 ZINC001231521825 977629961 /nfs/dbraw/zinc/62/99/61/977629961.db2.gz OWQHQRBUTDVYAX-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c2cnccc12 ZINC001231521825 977629973 /nfs/dbraw/zinc/62/99/73/977629973.db2.gz OWQHQRBUTDVYAX-SECBINFHSA-N 1 2 247.298 1.556 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1C(C)(C)C ZINC001336349524 977639239 /nfs/dbraw/zinc/63/92/39/977639239.db2.gz MBKWFRYHJVVRGO-NSHDSACASA-N 1 2 235.331 1.908 20 0 BDADLO c1cc2cc(C[N@@H+]3CCOCC34CC4)ncc2[nH]1 ZINC001231669029 977673636 /nfs/dbraw/zinc/67/36/36/977673636.db2.gz AULAMPCJRPRYAR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO c1cc2cc(C[N@H+]3CCOCC34CC4)ncc2[nH]1 ZINC001231669029 977673652 /nfs/dbraw/zinc/67/36/52/977673652.db2.gz AULAMPCJRPRYAR-UHFFFAOYSA-N 1 2 243.310 1.928 20 0 BDADLO CCc1ccc(N(CCOC)CCOC)[nH+]c1 ZINC001336439498 977684148 /nfs/dbraw/zinc/68/41/48/977684148.db2.gz NIBDODJSHBJHKU-UHFFFAOYSA-N 1 2 238.331 1.743 20 0 BDADLO CCCOC1C[NH+](Cc2nc(C)ccc2O)C1 ZINC001231673934 977687353 /nfs/dbraw/zinc/68/73/53/977687353.db2.gz SCTBKVHINSRNEC-UHFFFAOYSA-N 1 2 236.315 1.706 20 0 BDADLO CN(CCCc1c[nH+]cn1C)Cc1ncccn1 ZINC001175707478 977688631 /nfs/dbraw/zinc/68/86/31/977688631.db2.gz MQQQGYJHHGKRKB-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO CCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001336451312 977689598 /nfs/dbraw/zinc/68/95/98/977689598.db2.gz UWEDHYYKZGZBKW-SNVBAGLBSA-N 1 2 206.289 1.869 20 0 BDADLO CCOc1ncccc1C[NH+]1CC2(C1)CCOC2 ZINC001231760007 977733696 /nfs/dbraw/zinc/73/36/96/977733696.db2.gz DGSCFHJNBGOZDO-UHFFFAOYSA-N 1 2 248.326 1.703 20 0 BDADLO Cc1nnc(N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC001336544345 977763295 /nfs/dbraw/zinc/76/32/95/977763295.db2.gz FYLIUKKGCPPSJL-UHFFFAOYSA-N 1 2 249.343 1.954 20 0 BDADLO CCCOc1ncccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001231863519 977770717 /nfs/dbraw/zinc/77/07/17/977770717.db2.gz BCSROJZOIUZMCJ-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO CCCOc1ncccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001231863519 977770730 /nfs/dbraw/zinc/77/07/30/977770730.db2.gz BCSROJZOIUZMCJ-OLZOCXBDSA-N 1 2 248.326 1.844 20 0 BDADLO Cc1cc(F)cc(N(C)[C@H](C)C[S@](C)=O)[nH+]1 ZINC001336576108 977793104 /nfs/dbraw/zinc/79/31/04/977793104.db2.gz DVPVLHHSUZTYGE-ABKXIKBNSA-N 1 2 244.335 1.732 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H]3COC[C@@H]3C2)[nH+]1 ZINC001336611186 977809371 /nfs/dbraw/zinc/80/93/71/977809371.db2.gz DCLPLPHYCPSTIY-AOOOYVTPSA-N 1 2 222.263 1.612 20 0 BDADLO COc1cc[nH+]c(CN2C[C@@H](F)[C@H](F)C2)c1 ZINC001231967344 977812590 /nfs/dbraw/zinc/81/25/90/977812590.db2.gz ZZYXBUUNQSFPEB-GHMZBOCLSA-N 1 2 228.242 1.582 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)nc(C)c1 ZINC001231995665 977830942 /nfs/dbraw/zinc/83/09/42/977830942.db2.gz QVGUKDCWMFWYQY-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)nc(C)c1 ZINC001231995665 977830945 /nfs/dbraw/zinc/83/09/45/977830945.db2.gz QVGUKDCWMFWYQY-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001336677131 977846761 /nfs/dbraw/zinc/84/67/61/977846761.db2.gz USXCTRDUVYKWQS-HTQZYQBOSA-N 1 2 247.220 1.235 20 0 BDADLO C[N@H+](Cc1ccccn1)Cc1ccc(=O)[nH]n1 ZINC001232021945 977849163 /nfs/dbraw/zinc/84/91/63/977849163.db2.gz LGEAUSQZSLHAJC-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO C[N@@H+](Cc1ccccn1)Cc1ccc(=O)[nH]n1 ZINC001232021945 977849168 /nfs/dbraw/zinc/84/91/68/977849168.db2.gz LGEAUSQZSLHAJC-UHFFFAOYSA-N 1 2 230.271 1.209 20 0 BDADLO O=c1ccc(C[N@H+]2CCCC[C@@H](F)C2)n[nH]1 ZINC001232021992 977851027 /nfs/dbraw/zinc/85/10/27/977851027.db2.gz VWKGDVNEOSBUPI-SECBINFHSA-N 1 2 225.267 1.506 20 0 BDADLO O=c1ccc(C[N@@H+]2CCCC[C@@H](F)C2)n[nH]1 ZINC001232021992 977851031 /nfs/dbraw/zinc/85/10/31/977851031.db2.gz VWKGDVNEOSBUPI-SECBINFHSA-N 1 2 225.267 1.506 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1ccc(=O)[nH]n1 ZINC001232027174 977856575 /nfs/dbraw/zinc/85/65/75/977856575.db2.gz GNBXMZPUHJKJKA-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1ccc(=O)[nH]n1 ZINC001232027174 977856576 /nfs/dbraw/zinc/85/65/76/977856576.db2.gz GNBXMZPUHJKJKA-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO CC(=O)N1CC=C(Nc2cc(C)cc[nH+]2)CC1 ZINC001176025822 977861414 /nfs/dbraw/zinc/86/14/14/977861414.db2.gz GHSVINQQEGYONL-UHFFFAOYSA-N 1 2 231.299 1.938 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2ncccc2[nH]1 ZINC001232063402 977877906 /nfs/dbraw/zinc/87/79/06/977877906.db2.gz JRNOYAOVBDJEGI-ONGXEEELSA-N 1 2 249.289 1.468 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2ncccc2[nH]1 ZINC001232063402 977877910 /nfs/dbraw/zinc/87/79/10/977877910.db2.gz JRNOYAOVBDJEGI-ONGXEEELSA-N 1 2 249.289 1.468 20 0 BDADLO O=Nc1c(=O)[nH]c(=S)[nH]c1Nc1[nH]cc[nH+]1 ZINC001176081956 977877841 /nfs/dbraw/zinc/87/78/41/977877841.db2.gz MACHNWYMWMYQES-UHFFFAOYSA-N 1 2 238.232 1.336 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(C)nc2C)C1 ZINC001232082101 977885462 /nfs/dbraw/zinc/88/54/62/977885462.db2.gz SBCCUWNFYYUBGG-UHFFFAOYSA-N 1 2 220.316 1.919 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cc2ccncc2[nH]1 ZINC001232089592 977889022 /nfs/dbraw/zinc/88/90/22/977889022.db2.gz AOFCEECHWMBIIR-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cc2ccncc2[nH]1 ZINC001232089592 977889027 /nfs/dbraw/zinc/88/90/27/977889027.db2.gz AOFCEECHWMBIIR-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO Cc1cccnc1[C@@H](C)Nc1cc(N)nc[nH+]1 ZINC001336761854 977932282 /nfs/dbraw/zinc/93/22/82/977932282.db2.gz VYVKEFINQPAXRT-SECBINFHSA-N 1 2 229.287 1.935 20 0 BDADLO COc1cc[nH+]cc1Nc1cnccn1 ZINC001176119535 977950610 /nfs/dbraw/zinc/95/06/10/977950610.db2.gz SDCFQHGNPCGGOK-UHFFFAOYSA-N 1 2 202.217 1.624 20 0 BDADLO COc1cc[nH+]cc1Nc1nnccc1C ZINC001176119688 977954365 /nfs/dbraw/zinc/95/43/65/977954365.db2.gz ZIUSILCHKJBJGR-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO COc1cc[nH+]cc1Nc1ccnn1CCF ZINC001176121742 977955535 /nfs/dbraw/zinc/95/55/35/977955535.db2.gz NKSLCVQNZUJQDM-UHFFFAOYSA-N 1 2 236.250 2.000 20 0 BDADLO COc1cc[nH+]cc1-n1ncc2cc(N)ncc21 ZINC001176121733 977957860 /nfs/dbraw/zinc/95/78/60/977957860.db2.gz MXWUSMAHTNKCQY-UHFFFAOYSA-N 1 2 241.254 1.406 20 0 BDADLO COc1cc[nH+]cc1Nc1cnn2c1OCCC2 ZINC001176121970 977959713 /nfs/dbraw/zinc/95/97/13/977959713.db2.gz WDRLBPHBYYJLJU-UHFFFAOYSA-N 1 2 246.270 1.813 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)s1 ZINC001232242492 977968993 /nfs/dbraw/zinc/96/89/93/977968993.db2.gz LJMHJJXMQMTAJI-KWQFWETISA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)s1 ZINC001232242492 977969004 /nfs/dbraw/zinc/96/90/04/977969004.db2.gz LJMHJJXMQMTAJI-KWQFWETISA-N 1 2 241.360 1.439 20 0 BDADLO COCc1cccc(C[N@H+](C)C2(C)COC2)n1 ZINC001232257072 977980962 /nfs/dbraw/zinc/98/09/62/977980962.db2.gz HLUHUTKDPZEMFU-UHFFFAOYSA-N 1 2 236.315 1.449 20 0 BDADLO COCc1cccc(C[N@@H+](C)C2(C)COC2)n1 ZINC001232257072 977980977 /nfs/dbraw/zinc/98/09/77/977980977.db2.gz HLUHUTKDPZEMFU-UHFFFAOYSA-N 1 2 236.315 1.449 20 0 BDADLO CC(C)(C)[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001336865385 978008878 /nfs/dbraw/zinc/00/88/78/978008878.db2.gz WWPYWMJGEPGMFJ-JTQLQIEISA-N 1 2 221.304 1.530 20 0 BDADLO Cc1nc(N)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC001232337847 978016075 /nfs/dbraw/zinc/01/60/75/978016075.db2.gz DKYBQYDOMROHPG-SECBINFHSA-N 1 2 221.304 1.193 20 0 BDADLO Cc1nc(N)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC001232337847 978016086 /nfs/dbraw/zinc/01/60/86/978016086.db2.gz DKYBQYDOMROHPG-SECBINFHSA-N 1 2 221.304 1.193 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)nc1 ZINC001232368964 978046469 /nfs/dbraw/zinc/04/64/69/978046469.db2.gz KVFNPSHBLINLBF-GFCCVEGCSA-N 1 2 233.315 1.607 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)nc1 ZINC001232368964 978046479 /nfs/dbraw/zinc/04/64/79/978046479.db2.gz KVFNPSHBLINLBF-GFCCVEGCSA-N 1 2 233.315 1.607 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001232432953 978081619 /nfs/dbraw/zinc/08/16/19/978081619.db2.gz RLDZREPPIQZRLT-HZMBPMFUSA-N 1 2 247.342 1.652 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001232432953 978081629 /nfs/dbraw/zinc/08/16/29/978081629.db2.gz RLDZREPPIQZRLT-HZMBPMFUSA-N 1 2 247.342 1.652 20 0 BDADLO Cc1cc(C)[nH+]c(Nc2cnn(CCO)c2)c1 ZINC001176471423 978089259 /nfs/dbraw/zinc/08/92/59/978089259.db2.gz FCUMQHNESDYWEG-UHFFFAOYSA-N 1 2 232.287 1.631 20 0 BDADLO Cc1[nH]c(CN(C)Cc2cnc(C)nc2)c[nH+]1 ZINC001232464596 978109541 /nfs/dbraw/zinc/10/95/41/978109541.db2.gz IXXJOJNIVMIMHW-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1[nH]cc(CN(C)Cc2cnc(C)nc2)[nH+]1 ZINC001232464596 978109548 /nfs/dbraw/zinc/10/95/48/978109548.db2.gz IXXJOJNIVMIMHW-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@]3(CCO3)C2)[nH]1 ZINC001232463903 978112363 /nfs/dbraw/zinc/11/23/63/978112363.db2.gz OMGCJGNWSWGKLF-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@]3(CCO3)C2)[nH]1 ZINC001232463903 978112369 /nfs/dbraw/zinc/11/23/69/978112369.db2.gz OMGCJGNWSWGKLF-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c[nH]1 ZINC001232463903 978112377 /nfs/dbraw/zinc/11/23/77/978112377.db2.gz OMGCJGNWSWGKLF-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@]3(CCO3)C2)c[nH]1 ZINC001232463903 978112386 /nfs/dbraw/zinc/11/23/86/978112386.db2.gz OMGCJGNWSWGKLF-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@H]2C(C)C)c[nH+]1 ZINC001232464031 978113309 /nfs/dbraw/zinc/11/33/09/978113309.db2.gz SHVPTOVMCIPMEZ-LBPRGKRZSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1[nH]c(CN2Cc3cnc(C)cc3C2)c[nH+]1 ZINC001232464380 978113470 /nfs/dbraw/zinc/11/34/70/978113470.db2.gz ATWDJUUQXZSUFU-UHFFFAOYSA-N 1 2 228.299 1.937 20 0 BDADLO Cc1[nH]cc(CN2Cc3cnc(C)cc3C2)[nH+]1 ZINC001232464380 978113477 /nfs/dbraw/zinc/11/34/77/978113477.db2.gz ATWDJUUQXZSUFU-UHFFFAOYSA-N 1 2 228.299 1.937 20 0 BDADLO Cc1[nH]c(CN2CCC[C@H]2c2ncccn2)c[nH+]1 ZINC001232468009 978120360 /nfs/dbraw/zinc/12/03/60/978120360.db2.gz JWPVBEIMWDYZGP-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1[nH]cc(CN2CCC[C@H]2c2ncccn2)[nH+]1 ZINC001232468009 978120365 /nfs/dbraw/zinc/12/03/65/978120365.db2.gz JWPVBEIMWDYZGP-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1[nH]c(CN2CC(C(F)F)C2)c[nH+]1 ZINC001232467212 978120866 /nfs/dbraw/zinc/12/08/66/978120866.db2.gz DHOSVZGJJBZZMR-UHFFFAOYSA-N 1 2 201.220 1.415 20 0 BDADLO Cc1[nH]cc(CN2CC(C(F)F)C2)[nH+]1 ZINC001232467212 978120875 /nfs/dbraw/zinc/12/08/75/978120875.db2.gz DHOSVZGJJBZZMR-UHFFFAOYSA-N 1 2 201.220 1.415 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC001232506552 978156560 /nfs/dbraw/zinc/15/65/60/978156560.db2.gz GTLKSEHRDVVVKP-LBPRGKRZSA-N 1 2 242.269 1.314 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC001232506552 978156564 /nfs/dbraw/zinc/15/65/64/978156564.db2.gz GTLKSEHRDVVVKP-LBPRGKRZSA-N 1 2 242.269 1.314 20 0 BDADLO CC[C@@H](F)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001337113127 978171083 /nfs/dbraw/zinc/17/10/83/978171083.db2.gz DLPZXSDPHNQWBO-NXEZZACHSA-N 1 2 239.294 1.864 20 0 BDADLO CCN(Cc1nc2ccccc2o1)C1C[NH+](C)C1 ZINC001232559574 978181836 /nfs/dbraw/zinc/18/18/36/978181836.db2.gz VHVDYDUJNUYCRP-UHFFFAOYSA-N 1 2 245.326 1.964 20 0 BDADLO CC[N@H+](Cc1nc2ccccc2o1)C1CN(C)C1 ZINC001232559574 978181841 /nfs/dbraw/zinc/18/18/41/978181841.db2.gz VHVDYDUJNUYCRP-UHFFFAOYSA-N 1 2 245.326 1.964 20 0 BDADLO CC[N@@H+](Cc1nc2ccccc2o1)C1CN(C)C1 ZINC001232559574 978181846 /nfs/dbraw/zinc/18/18/46/978181846.db2.gz VHVDYDUJNUYCRP-UHFFFAOYSA-N 1 2 245.326 1.964 20 0 BDADLO CCN(Cc1ccccc1NC)C1C[NH+](C)C1 ZINC001232673987 978228589 /nfs/dbraw/zinc/22/85/89/978228589.db2.gz PYMCJUVSXWLNKS-UHFFFAOYSA-N 1 2 233.359 1.864 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)CCCF)C1=O ZINC001337238370 978234844 /nfs/dbraw/zinc/23/48/44/978234844.db2.gz VPTGKTVUABJUCJ-LBPRGKRZSA-N 1 2 244.310 1.411 20 0 BDADLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)CCCF)C1=O ZINC001337238370 978234850 /nfs/dbraw/zinc/23/48/50/978234850.db2.gz VPTGKTVUABJUCJ-LBPRGKRZSA-N 1 2 244.310 1.411 20 0 BDADLO CCc1ccc(N2CCC[C@H]2C(=O)N(C)C)[nH+]c1 ZINC001337237688 978237775 /nfs/dbraw/zinc/23/77/75/978237775.db2.gz RIICMEBEXPCIJU-LBPRGKRZSA-N 1 2 247.342 1.701 20 0 BDADLO CCc1ccc2c(c1)C[N@H+]([C@@H]1CCOC1=O)CC2 ZINC001177033908 978267206 /nfs/dbraw/zinc/26/72/06/978267206.db2.gz YSJCKEURWDKNMD-CQSZACIVSA-N 1 2 245.322 1.923 20 0 BDADLO CCc1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1=O)CC2 ZINC001177033908 978267211 /nfs/dbraw/zinc/26/72/11/978267211.db2.gz YSJCKEURWDKNMD-CQSZACIVSA-N 1 2 245.322 1.923 20 0 BDADLO CNc1cc(NCc2cc(C)c[nH]c2=O)nc[nH+]1 ZINC001337290946 978269435 /nfs/dbraw/zinc/26/94/35/978269435.db2.gz INIICQNENVFBDR-UHFFFAOYSA-N 1 2 245.286 1.539 20 0 BDADLO CNc1cc(NCc2cc(C)c[nH]c2=O)[nH+]cn1 ZINC001337290946 978269440 /nfs/dbraw/zinc/26/94/40/978269440.db2.gz INIICQNENVFBDR-UHFFFAOYSA-N 1 2 245.286 1.539 20 0 BDADLO Cc1nnc2n1CC[N@@H+](C/C=C\Cl)[C@@H]2C ZINC001177043802 978277449 /nfs/dbraw/zinc/27/74/49/978277449.db2.gz DQTBUQBRVMGQMF-TUUFMJSCSA-N 1 2 226.711 1.716 20 0 BDADLO Cc1nnc2n1CC[N@H+](C/C=C\Cl)[C@@H]2C ZINC001177043802 978277462 /nfs/dbraw/zinc/27/74/62/978277462.db2.gz DQTBUQBRVMGQMF-TUUFMJSCSA-N 1 2 226.711 1.716 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)c(O)c1F ZINC001232931140 978338063 /nfs/dbraw/zinc/33/80/63/978338063.db2.gz JQTSBFHDMKWBSJ-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232931140 978338071 /nfs/dbraw/zinc/33/80/71/978338071.db2.gz JQTSBFHDMKWBSJ-APPZFPTMSA-N 1 2 243.253 1.626 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc3ncoc3c2)C[C@@H]1F ZINC001232938745 978346524 /nfs/dbraw/zinc/34/65/24/978346524.db2.gz YJVKKUMQIRMPCF-GXSJLCMTSA-N 1 2 236.246 1.342 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc3ncoc3c2)C[C@@H]1F ZINC001232938745 978346536 /nfs/dbraw/zinc/34/65/36/978346536.db2.gz YJVKKUMQIRMPCF-GXSJLCMTSA-N 1 2 236.246 1.342 20 0 BDADLO Cc1c[nH]nc1NC(=O)CN(C)c1cccc[nH+]1 ZINC001177409072 978352578 /nfs/dbraw/zinc/35/25/78/978352578.db2.gz PVNLBVGJPFKNKD-UHFFFAOYSA-N 1 2 245.286 1.188 20 0 BDADLO CCC[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001337484522 978365708 /nfs/dbraw/zinc/36/57/08/978365708.db2.gz ZZYXAOZBOWMPOQ-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CCC[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001337484522 978365718 /nfs/dbraw/zinc/36/57/18/978365718.db2.gz ZZYXAOZBOWMPOQ-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO C[N@H+](Cc1cc(O)c(F)c(F)c1)[C@H]1CCOC1 ZINC001232972910 978378110 /nfs/dbraw/zinc/37/81/10/978378110.db2.gz FXKMJINFHDSUNF-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1cc(O)c(F)c(F)c1)[C@H]1CCOC1 ZINC001232972910 978378120 /nfs/dbraw/zinc/37/81/20/978378120.db2.gz FXKMJINFHDSUNF-VIFPVBQESA-N 1 2 243.253 1.891 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@H]1F ZINC001337510204 978381640 /nfs/dbraw/zinc/38/16/40/978381640.db2.gz QTQMTCBJVOCFMB-DTWKUNHWSA-N 1 2 208.236 1.417 20 0 BDADLO Cc1ncc(F)cc1C[N@@H+]1CCn2nncc2C1 ZINC001232990783 978392336 /nfs/dbraw/zinc/39/23/36/978392336.db2.gz QWQVFUXSOCPSAL-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1ncc(F)cc1C[N@H+]1CCn2nncc2C1 ZINC001232990783 978392350 /nfs/dbraw/zinc/39/23/50/978392350.db2.gz QWQVFUXSOCPSAL-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)[nH+]cn1 ZINC001337563839 978409905 /nfs/dbraw/zinc/40/99/05/978409905.db2.gz LMNWMNWCWKCQEF-IVZWLZJFSA-N 1 2 234.303 1.274 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc[nH+]1 ZINC001337563839 978409909 /nfs/dbraw/zinc/40/99/09/978409909.db2.gz LMNWMNWCWKCQEF-IVZWLZJFSA-N 1 2 234.303 1.274 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc2c(c1)CCO2 ZINC001598321081 978424406 /nfs/dbraw/zinc/42/44/06/978424406.db2.gz IGROMIHGXNFPFH-UHFFFAOYSA-N 1 2 243.266 1.457 20 0 BDADLO CCO[C@@H](C(=O)Nc1c(C)c[nH+]cc1C)C1CC1 ZINC001337641006 978439775 /nfs/dbraw/zinc/43/97/75/978439775.db2.gz UVFBCTINTDYOSY-CYBMUJFWSA-N 1 2 248.326 1.874 20 0 BDADLO C[C@H](C(=O)N(C)CC(F)(F)F)n1cc[nH+]c1 ZINC001177922662 978474838 /nfs/dbraw/zinc/47/48/38/978474838.db2.gz ZHCKSMCBNZTJFR-SSDOTTSWSA-N 1 2 235.209 1.465 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH]ccc2C1)n1cc[nH+]c1 ZINC001177926203 978476396 /nfs/dbraw/zinc/47/63/96/978476396.db2.gz YLUAOXBXZHFFOB-SNVBAGLBSA-N 1 2 244.298 1.357 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@H+](C)Cc2ncccn2)c1 ZINC001233188944 978485300 /nfs/dbraw/zinc/48/53/00/978485300.db2.gz HIMJZHFEUOGWJK-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1c[nH]c(=O)c(C[N@@H+](C)Cc2ncccn2)c1 ZINC001233188944 978485308 /nfs/dbraw/zinc/48/53/08/978485308.db2.gz HIMJZHFEUOGWJK-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1CO ZINC001177998913 978486872 /nfs/dbraw/zinc/48/68/72/978486872.db2.gz ZWDOUXDPNPEBAQ-UHFFFAOYSA-N 1 2 245.282 1.473 20 0 BDADLO C[C@H]1C[C@@H](CF)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001177994158 978495322 /nfs/dbraw/zinc/49/53/22/978495322.db2.gz RLZXILYHEUIJKB-UWVGGRQHSA-N 1 2 239.294 1.549 20 0 BDADLO CCc1ccc(N(C)C[C@H](O)C2CC2)[nH+]c1 ZINC001337799620 978500594 /nfs/dbraw/zinc/50/05/94/978500594.db2.gz RWRQYXVFEMSDDB-LBPRGKRZSA-N 1 2 220.316 1.851 20 0 BDADLO CCc1ccc(N2CCCC3(C2)OCCO3)[nH+]c1 ZINC001337809554 978506923 /nfs/dbraw/zinc/50/69/23/978506923.db2.gz NXVWFGLWOHIUTM-UHFFFAOYSA-N 1 2 248.326 1.987 20 0 BDADLO CN(C[C@@H]1CCCC[C@@H]1O)c1cc(N)nc[nH+]1 ZINC001337818468 978512490 /nfs/dbraw/zinc/51/24/90/978512490.db2.gz BVVZSRVGRZOIRX-UWVGGRQHSA-N 1 2 236.319 1.046 20 0 BDADLO CN(C[C@H]1CCCC[C@@H]1O)c1cc(N)nc[nH+]1 ZINC001337818472 978513226 /nfs/dbraw/zinc/51/32/26/978513226.db2.gz BVVZSRVGRZOIRX-ZJUUUORDSA-N 1 2 236.319 1.046 20 0 BDADLO Nc1cc(N2CC[C@H](c3ccco3)C2)[nH+]cn1 ZINC001337852075 978525514 /nfs/dbraw/zinc/52/55/14/978525514.db2.gz UNSVUDIYEUHQIR-VIFPVBQESA-N 1 2 230.271 1.646 20 0 BDADLO Cc1cnsc1C[N@H+]1CCc2c(cnn2C)C1 ZINC001233322123 978561743 /nfs/dbraw/zinc/56/17/43/978561743.db2.gz SULIXDKSTMEUGH-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCc2c(cnn2C)C1 ZINC001233322123 978561745 /nfs/dbraw/zinc/56/17/45/978561745.db2.gz SULIXDKSTMEUGH-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCOC2(CC2)C1 ZINC001233322616 978563809 /nfs/dbraw/zinc/56/38/09/978563809.db2.gz MNCIIYHQCAORRL-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1cnsc1C[N@H+]1CCOC2(CC2)C1 ZINC001233322616 978563814 /nfs/dbraw/zinc/56/38/14/978563814.db2.gz MNCIIYHQCAORRL-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO Cc1cc(F)cc(N2CCC[C@@](C)(O)C2)[nH+]1 ZINC001337923816 978565627 /nfs/dbraw/zinc/56/56/27/978565627.db2.gz WCBQNDXSWVWPLV-GFCCVEGCSA-N 1 2 224.279 1.880 20 0 BDADLO Nc1cccc(CN2Cc3cccnc3C2)[nH+]1 ZINC001233369056 978583120 /nfs/dbraw/zinc/58/31/20/978583120.db2.gz WTFYAXYIWRLVGR-UHFFFAOYSA-N 1 2 226.283 1.575 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc(CO)cn1 ZINC001178856252 978638699 /nfs/dbraw/zinc/63/86/99/978638699.db2.gz WQVXTZKYDIRFSW-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1ccn(CC)n1 ZINC001178958017 978650490 /nfs/dbraw/zinc/65/04/90/978650490.db2.gz BYOGQMMWGPNRBB-UHFFFAOYSA-N 1 2 247.346 1.489 20 0 BDADLO c1cc2c(nc1C[NH+]1CCC1)OCCO2 ZINC001233833319 978705421 /nfs/dbraw/zinc/70/54/21/978705421.db2.gz TUGSFIZCTXHQHD-UHFFFAOYSA-N 1 2 206.245 1.059 20 0 BDADLO CCCCOCC(=O)Nc1c(C)c[nH+]cc1C ZINC001338993718 978768585 /nfs/dbraw/zinc/76/85/85/978768585.db2.gz WPOSOJBHAWVAOK-UHFFFAOYSA-N 1 2 236.315 1.876 20 0 BDADLO [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001601191424 978792673 /nfs/dbraw/zinc/79/26/73/978792673.db2.gz ONAVTYUPZDWYRJ-ZDUSSCGKSA-N 1 2 248.326 1.698 20 0 BDADLO [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001601191424 978792680 /nfs/dbraw/zinc/79/26/80/978792680.db2.gz ONAVTYUPZDWYRJ-ZDUSSCGKSA-N 1 2 248.326 1.698 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)COC1CC1 ZINC001339104192 978794893 /nfs/dbraw/zinc/79/48/93/978794893.db2.gz ZBYLMTPKEVOPAO-UHFFFAOYSA-N 1 2 220.272 1.238 20 0 BDADLO CCc1ncoc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001339113061 978796112 /nfs/dbraw/zinc/79/61/12/978796112.db2.gz HPUZNPKQXLHJDT-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1C[C@H](C)C(F)(F)F ZINC000441158248 978818581 /nfs/dbraw/zinc/81/85/81/978818581.db2.gz PDLROUUTYAZJRD-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1C[C@H](C)C(F)(F)F ZINC000441158248 978818584 /nfs/dbraw/zinc/81/85/84/978818584.db2.gz PDLROUUTYAZJRD-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO CC[NH+]1CC(Oc2cccc(C(=O)OC)c2C)C1 ZINC001234400978 978827672 /nfs/dbraw/zinc/82/76/72/978827672.db2.gz GMIKXDQXKPAWMH-UHFFFAOYSA-N 1 2 249.310 1.865 20 0 BDADLO Cc1cc(F)cc(N2CCCOCC2)[nH+]1 ZINC001339558559 978872091 /nfs/dbraw/zinc/87/20/91/978872091.db2.gz FBTHPKXNSYPMHT-UHFFFAOYSA-N 1 2 210.252 1.756 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CSC1(C)C)n1cc[nH+]c1 ZINC001325268322 978874803 /nfs/dbraw/zinc/87/48/03/978874803.db2.gz LXKJUDDZOYHQDR-IUCAKERBSA-N 1 2 239.344 1.454 20 0 BDADLO Cc1[nH]c(CN2C[C@H]3CC[C@@H](C2)C3=O)c(C)[nH+]1 ZINC001234636213 978880493 /nfs/dbraw/zinc/88/04/93/978880493.db2.gz UTBKPOQICNUXBE-PHIMTYICSA-N 1 2 233.315 1.437 20 0 BDADLO CCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001339710584 978897096 /nfs/dbraw/zinc/89/70/96/978897096.db2.gz RLZBGDXDQKDHQW-UHFFFAOYSA-N 1 2 236.319 1.329 20 0 BDADLO CCCn1c[nH+]cc1CN(C)Cc1cnn(C)c1 ZINC001180505229 978897583 /nfs/dbraw/zinc/89/75/83/978897583.db2.gz KZNMHXWRAPLXJQ-UHFFFAOYSA-N 1 2 247.346 1.659 20 0 BDADLO Cc1cnn([C@H]2CCN(c3cc(N)nc[nH+]3)C2)c1 ZINC001339730843 978900414 /nfs/dbraw/zinc/90/04/14/978900414.db2.gz QGYMYZWYQVPJAP-JTQLQIEISA-N 1 2 244.302 1.015 20 0 BDADLO Nc1cc(N2CC[C@H]3CSC[C@H]3C2)[nH+]cn1 ZINC001339798367 978916163 /nfs/dbraw/zinc/91/61/63/978916163.db2.gz GWKNIAFJROPRED-DTWKUNHWSA-N 1 2 236.344 1.248 20 0 BDADLO Cc1[nH]c(CNc2cc(C)nc(CO)n2)[nH+]c1C ZINC001339815464 978919091 /nfs/dbraw/zinc/91/90/91/978919091.db2.gz NKXNWKXVSLFXBM-UHFFFAOYSA-N 1 2 247.302 1.229 20 0 BDADLO CCc1cc(N(C)Cc2cn[nH]c2)nc(CC)[nH+]1 ZINC001339831077 978919667 /nfs/dbraw/zinc/91/96/67/978919667.db2.gz XYMZRSDSGXDTIZ-UHFFFAOYSA-N 1 2 245.330 1.961 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(F)cn2)CC[C@]1(C)O ZINC001235008624 978950619 /nfs/dbraw/zinc/95/06/19/978950619.db2.gz XQAPIXVYLGGVPZ-CABZTGNLSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(F)cn2)CC[C@]1(C)O ZINC001235008624 978950621 /nfs/dbraw/zinc/95/06/21/978950621.db2.gz XQAPIXVYLGGVPZ-CABZTGNLSA-N 1 2 239.294 1.209 20 0 BDADLO Fc1cnc(C[N@H+]2CCC[C@@H](F)CC2)nc1 ZINC001235006764 978951184 /nfs/dbraw/zinc/95/11/84/978951184.db2.gz OZBIJQKPYZQIRU-SECBINFHSA-N 1 2 227.258 1.940 20 0 BDADLO Fc1cnc(C[N@@H+]2CCC[C@@H](F)CC2)nc1 ZINC001235006764 978951188 /nfs/dbraw/zinc/95/11/88/978951188.db2.gz OZBIJQKPYZQIRU-SECBINFHSA-N 1 2 227.258 1.940 20 0 BDADLO CC1(C)[C@@H]2C[N@@H+](Cc3ncc(F)cn3)C[C@@H]21 ZINC001235010895 978953490 /nfs/dbraw/zinc/95/34/90/978953490.db2.gz MYIFNUOOWZLIEX-AOOOYVTPSA-N 1 2 221.279 1.704 20 0 BDADLO CC1(C)[C@@H]2C[N@H+](Cc3ncc(F)cn3)C[C@@H]21 ZINC001235010895 978953493 /nfs/dbraw/zinc/95/34/93/978953493.db2.gz MYIFNUOOWZLIEX-AOOOYVTPSA-N 1 2 221.279 1.704 20 0 BDADLO Nc1cc(CC(=O)Nc2ccc[nH]2)cc[nH+]1 ZINC001181240204 979015209 /nfs/dbraw/zinc/01/52/09/979015209.db2.gz KOOJRWWBAIYWLH-UHFFFAOYSA-N 1 2 216.244 1.173 20 0 BDADLO Nc1cc(CC(=O)Nc2ccsc2)cc[nH+]1 ZINC001181230332 979025254 /nfs/dbraw/zinc/02/52/54/979025254.db2.gz OXORRJRPCMIUIW-UHFFFAOYSA-N 1 2 233.296 1.907 20 0 BDADLO Nc1cc(CC(=O)N[C@@H]2C[C@@H]2C2CC2)cc[nH+]1 ZINC001181276770 979028058 /nfs/dbraw/zinc/02/80/58/979028058.db2.gz ISQKTECDWIGKBS-GHMZBOCLSA-N 1 2 231.299 1.121 20 0 BDADLO Cc1cnc(F)c(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001235333074 979028843 /nfs/dbraw/zinc/02/88/43/979028843.db2.gz UPTCJEWWCBULJS-UHFFFAOYSA-N 1 2 236.290 1.486 20 0 BDADLO Nc1cc(CC(=O)N[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC001181276774 979031377 /nfs/dbraw/zinc/03/13/77/979031377.db2.gz ISQKTECDWIGKBS-WDEREUQCSA-N 1 2 231.299 1.121 20 0 BDADLO CCOc1cc(O)cc(C[N@H+](C)CC(C)=O)c1 ZINC001235395031 979035633 /nfs/dbraw/zinc/03/56/33/979035633.db2.gz WOMKHKWTCZORCE-UHFFFAOYSA-N 1 2 237.299 1.812 20 0 BDADLO CCOc1cc(O)cc(C[N@@H+](C)CC(C)=O)c1 ZINC001235395031 979035636 /nfs/dbraw/zinc/03/56/36/979035636.db2.gz WOMKHKWTCZORCE-UHFFFAOYSA-N 1 2 237.299 1.812 20 0 BDADLO Clc1cnc(CN2CCn3c[nH+]cc3C2)nc1 ZINC001235414097 979039443 /nfs/dbraw/zinc/03/94/43/979039443.db2.gz IXQULZBJLHAJCH-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CN(C(=O)C[C@H]([NH3+])C(F)F)C(C1CC1)C1CC1 ZINC001340648976 979054658 /nfs/dbraw/zinc/05/46/58/979054658.db2.gz JMAFQAKYOQQCEY-VIFPVBQESA-N 1 2 246.301 1.616 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC001235545068 979085566 /nfs/dbraw/zinc/08/55/66/979085566.db2.gz WEOONWOSYNRJFM-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCC[C@@H](F)C1 ZINC001235545068 979085577 /nfs/dbraw/zinc/08/55/77/979085577.db2.gz WEOONWOSYNRJFM-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@H]1CCOC1 ZINC001340810398 979116705 /nfs/dbraw/zinc/11/67/05/979116705.db2.gz IPEZXEVUFCGFPJ-PCAWENJQSA-N 1 2 246.310 1.652 20 0 BDADLO CCN(C(=O)[C@H](C)C(C)C)C1C[NH+](C)C1 ZINC001181494036 979120289 /nfs/dbraw/zinc/12/02/89/979120289.db2.gz GPUBDYCWTAJGNE-SNVBAGLBSA-N 1 2 212.337 1.441 20 0 BDADLO CCN(CC)C(=O)Cc1ccc(NC)[nH+]c1 ZINC001250011170 979132422 /nfs/dbraw/zinc/13/24/22/979132422.db2.gz RIKQIFWMGWDNDO-UHFFFAOYSA-N 1 2 221.304 1.534 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+](C)C1(C)COC1 ZINC001235815779 979161032 /nfs/dbraw/zinc/16/10/32/979161032.db2.gz YWGAIVLNEUCBIX-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO Cc1nc(F)ccc1C[N@H+](C)C1(C)COC1 ZINC001235815779 979161037 /nfs/dbraw/zinc/16/10/37/979161037.db2.gz YWGAIVLNEUCBIX-UHFFFAOYSA-N 1 2 224.279 1.750 20 0 BDADLO COc1nccc(C[NH+](C)C)c1Cl ZINC001235830872 979163816 /nfs/dbraw/zinc/16/38/16/979163816.db2.gz UVBCEJSKGVFZOH-UHFFFAOYSA-N 1 2 200.669 1.805 20 0 BDADLO OCCC[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001235958565 979224628 /nfs/dbraw/zinc/22/46/28/979224628.db2.gz KZGMMDVTJYOOAO-UHFFFAOYSA-N 1 2 225.263 1.271 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@H]1C[C@@]1(F)Cl ZINC001181673123 979244276 /nfs/dbraw/zinc/24/42/76/979244276.db2.gz LSFHJDXGUVVPCW-XCBNKYQSSA-N 1 2 245.685 1.003 20 0 BDADLO C[NH+]1CC(NC(=O)[C@H]2CCc3ccccc32)C1 ZINC001181763452 979288430 /nfs/dbraw/zinc/28/84/30/979288430.db2.gz OSZAXWXHTLONOA-ZDUSSCGKSA-N 1 2 230.311 1.147 20 0 BDADLO CCOC(=O)CC(=O)Nc1cccc2[nH+]ccn21 ZINC001181783304 979295621 /nfs/dbraw/zinc/29/56/21/979295621.db2.gz UIAPQPCJFQEMBV-UHFFFAOYSA-N 1 2 247.254 1.226 20 0 BDADLO CC(C)(CNC(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC001341317387 979332796 /nfs/dbraw/zinc/33/27/96/979332796.db2.gz IVHBZFDHSFMIAN-MRVPVSSYSA-N 1 2 234.290 1.521 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1sccc1C(=O)[O-] ZINC001236246477 979468115 /nfs/dbraw/zinc/46/81/15/979468115.db2.gz CVQQGGABATYQQE-MRVPVSSYSA-N 1 2 240.328 1.369 20 0 BDADLO [NH3+]C[C@H]1CCC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001236246477 979468118 /nfs/dbraw/zinc/46/81/18/979468118.db2.gz CVQQGGABATYQQE-MRVPVSSYSA-N 1 2 240.328 1.369 20 0 BDADLO Cc1ccnc(C[N@H+](C)CCO)c1Cl ZINC001236255812 979477906 /nfs/dbraw/zinc/47/79/06/979477906.db2.gz HXBFIGYOEPFGLR-UHFFFAOYSA-N 1 2 214.696 1.468 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CCO)c1Cl ZINC001236255812 979477910 /nfs/dbraw/zinc/47/79/10/979477910.db2.gz HXBFIGYOEPFGLR-UHFFFAOYSA-N 1 2 214.696 1.468 20 0 BDADLO Cc1oc(Br)nc1C[N@H+](C)CCO ZINC001236258747 979478045 /nfs/dbraw/zinc/47/80/45/979478045.db2.gz HNLIARWMPBBLLE-UHFFFAOYSA-N 1 2 249.108 1.170 20 0 BDADLO Cc1oc(Br)nc1C[N@@H+](C)CCO ZINC001236258747 979478049 /nfs/dbraw/zinc/47/80/49/979478049.db2.gz HNLIARWMPBBLLE-UHFFFAOYSA-N 1 2 249.108 1.170 20 0 BDADLO CC(C)(CC[NH2+][C@@H](CC[NH3+])C(F)F)C(=O)[O-] ZINC001603612373 979488568 /nfs/dbraw/zinc/48/85/68/979488568.db2.gz SZVVHUFYJDJDSV-ZETCQYMHSA-N 1 2 238.278 1.059 20 0 BDADLO CC(C)c1nc(C(=O)OCCn2cc[nH+]c2)c[nH]1 ZINC001341649914 979509587 /nfs/dbraw/zinc/50/95/87/979509587.db2.gz LOUHETVXNPPGHE-UHFFFAOYSA-N 1 2 248.286 1.587 20 0 BDADLO NC(=O)Nc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236312307 979516033 /nfs/dbraw/zinc/51/60/33/979516033.db2.gz MDXYGHSEBCERCA-UHFFFAOYSA-N 1 2 228.255 1.821 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+]Cc1nncn1C ZINC001341675412 979521935 /nfs/dbraw/zinc/52/19/35/979521935.db2.gz MWQDBSNZTQEHBS-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO C[C@@H](C[NH2+]C1CC(CC(=O)[O-])C1)[N@H+](C)C1CC1 ZINC001604183791 979595149 /nfs/dbraw/zinc/59/51/49/979595149.db2.gz DUUSMHXZQKDLQT-WHXUTIOJSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H](C[NH2+]C1CC(CC(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC001604183791 979595155 /nfs/dbraw/zinc/59/51/55/979595155.db2.gz DUUSMHXZQKDLQT-WHXUTIOJSA-N 1 2 240.347 1.312 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCCC23COC3)o1 ZINC001236590742 979671564 /nfs/dbraw/zinc/67/15/64/979671564.db2.gz GUUSWKXOWNWJCF-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCCC23COC3)o1 ZINC001236590742 979671567 /nfs/dbraw/zinc/67/15/67/979671567.db2.gz GUUSWKXOWNWJCF-UHFFFAOYSA-N 1 2 222.288 1.656 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccnc2Cl)CC[C@H]1O ZINC001236611935 979677935 /nfs/dbraw/zinc/67/79/35/979677935.db2.gz BDNDPOWSMSKAEN-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccnc2Cl)CC[C@H]1O ZINC001236611935 979677941 /nfs/dbraw/zinc/67/79/41/979677941.db2.gz BDNDPOWSMSKAEN-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)[O-])c2)C[NH2+]1 ZINC001604706073 979708290 /nfs/dbraw/zinc/70/82/90/979708290.db2.gz JRDGNZYSNNDOKY-GXFFZTMASA-N 1 2 248.326 1.615 20 0 BDADLO C[C@@H](c1nc(-c2ccon2)no1)n1cc[nH+]c1 ZINC001342561429 979830643 /nfs/dbraw/zinc/83/06/43/979830643.db2.gz USUWGYFLCHAEQA-ZETCQYMHSA-N 1 2 231.215 1.530 20 0 BDADLO C[N@@H+]1CCCN(CC2OC=CC2=S)CC1 ZINC001237183174 979833743 /nfs/dbraw/zinc/83/37/43/979833743.db2.gz QLOSZXOUISOSOU-UHFFFAOYSA-N 1 2 226.345 1.706 20 0 BDADLO C[N@H+]1CCCN(CC2OC=CC2=S)CC1 ZINC001237183174 979833748 /nfs/dbraw/zinc/83/37/48/979833748.db2.gz QLOSZXOUISOSOU-UHFFFAOYSA-N 1 2 226.345 1.706 20 0 BDADLO CC[C@@H](F)C(=O)OCc1c[nH+]cn1C ZINC001342724129 979879252 /nfs/dbraw/zinc/87/92/52/979879252.db2.gz CNDUIZMAZQXLDQ-MRVPVSSYSA-N 1 2 200.213 1.211 20 0 BDADLO CC[N@@H+]1CCC[C@@H]([NH2+]CCCCCC(=O)[O-])C1 ZINC001605477609 979879397 /nfs/dbraw/zinc/87/93/97/979879397.db2.gz NDBOYXDVZPVIDV-GFCCVEGCSA-N 1 2 242.363 1.705 20 0 BDADLO CC[N@H+]1CCC[C@@H]([NH2+]CCCCCC(=O)[O-])C1 ZINC001605477609 979879400 /nfs/dbraw/zinc/87/94/00/979879400.db2.gz NDBOYXDVZPVIDV-GFCCVEGCSA-N 1 2 242.363 1.705 20 0 BDADLO CCn1nccc1Nc1cc[nH+]c(NC(C)=O)c1 ZINC001205281752 979884272 /nfs/dbraw/zinc/88/42/72/979884272.db2.gz PHSBWCUVRNVCJS-UHFFFAOYSA-N 1 2 245.286 2.000 20 0 BDADLO C[C@H]1CCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183931315 979901436 /nfs/dbraw/zinc/90/14/36/979901436.db2.gz FKNVOOCYKNJTFH-VIFPVBQESA-N 1 2 219.288 1.217 20 0 BDADLO O=C1CCC[N@H+](Cc2ccn3nccc3c2)CC1 ZINC001237537574 979932337 /nfs/dbraw/zinc/93/23/37/979932337.db2.gz HTJWXPDXIVQRQO-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O=C1CCC[N@@H+](Cc2ccn3nccc3c2)CC1 ZINC001237537574 979932343 /nfs/dbraw/zinc/93/23/43/979932343.db2.gz HTJWXPDXIVQRQO-UHFFFAOYSA-N 1 2 243.310 1.889 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccn3nccc3c2)C[C@@H]1F ZINC001237548171 979934355 /nfs/dbraw/zinc/93/43/55/979934355.db2.gz GVXNYUZTUABENU-QWHCGFSZSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccn3nccc3c2)C[C@@H]1F ZINC001237548171 979934368 /nfs/dbraw/zinc/93/43/68/979934368.db2.gz GVXNYUZTUABENU-QWHCGFSZSA-N 1 2 249.289 1.239 20 0 BDADLO CCn1c[nH+]cc1CN1CCn2ccnc2C1 ZINC001237592093 979950585 /nfs/dbraw/zinc/95/05/85/979950585.db2.gz GFVXHDGDIWJFDE-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)CC1CC(F)(F)C1 ZINC001237609026 979972923 /nfs/dbraw/zinc/97/29/23/979972923.db2.gz QKBGNWRZQQPHII-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)CC1CC(F)(F)C1 ZINC001237609026 979972926 /nfs/dbraw/zinc/97/29/26/979972926.db2.gz QKBGNWRZQQPHII-UHFFFAOYSA-N 1 2 216.235 1.282 20 0 BDADLO CC[C@](C)(O)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184255358 979984508 /nfs/dbraw/zinc/98/45/08/979984508.db2.gz GGIJMXQECYGSFW-AWEZNQCLSA-N 1 2 248.326 1.482 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(C)co2)C1 ZINC001237635190 979984441 /nfs/dbraw/zinc/98/44/41/979984441.db2.gz JYBFFYWDUCFIMN-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)co2)C1 ZINC001237635190 979984447 /nfs/dbraw/zinc/98/44/47/979984447.db2.gz JYBFFYWDUCFIMN-SNVBAGLBSA-N 1 2 238.287 1.368 20 0 BDADLO Fc1ccc(C[NH2+]Cc2nnc3n2CCC3)cn1 ZINC001343091031 980005728 /nfs/dbraw/zinc/00/57/28/980005728.db2.gz ZAHNZJLDWRXAQU-UHFFFAOYSA-N 1 2 247.277 1.048 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCOC[C@@H]1CC ZINC001237659788 980019096 /nfs/dbraw/zinc/01/90/96/980019096.db2.gz QOZBQJXVEMOSGI-NSHDSACASA-N 1 2 223.320 1.583 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCOC[C@@H]1CC ZINC001237659788 980019105 /nfs/dbraw/zinc/01/91/05/980019105.db2.gz QOZBQJXVEMOSGI-NSHDSACASA-N 1 2 223.320 1.583 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CC[C@@H](C(C)=O)C1 ZINC001237654175 980019466 /nfs/dbraw/zinc/01/94/66/980019466.db2.gz YJAVCMFBHNLNSB-SNVBAGLBSA-N 1 2 221.304 1.383 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001237701993 980028293 /nfs/dbraw/zinc/02/82/93/980028293.db2.gz MWVWQZQJBWBXBI-ZDUSSCGKSA-N 1 2 246.310 1.339 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001237701993 980028303 /nfs/dbraw/zinc/02/83/03/980028303.db2.gz MWVWQZQJBWBXBI-ZDUSSCGKSA-N 1 2 246.310 1.339 20 0 BDADLO c1cc2c(c(C[N@H+]3C[C@H]4C[C@@H](C3)O4)c1)OCC2 ZINC001237748275 980041324 /nfs/dbraw/zinc/04/13/24/980041324.db2.gz FUOYNYORZVLTIC-BETUJISGSA-N 1 2 231.295 1.595 20 0 BDADLO c1cc2c(c(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)c1)OCC2 ZINC001237748275 980041330 /nfs/dbraw/zinc/04/13/30/980041330.db2.gz FUOYNYORZVLTIC-BETUJISGSA-N 1 2 231.295 1.595 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)nc1 ZINC001237802842 980047242 /nfs/dbraw/zinc/04/72/42/980047242.db2.gz HFPNEAMKTRMGAP-QWHCGFSZSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)nc1 ZINC001237802842 980047253 /nfs/dbraw/zinc/04/72/53/980047253.db2.gz HFPNEAMKTRMGAP-QWHCGFSZSA-N 1 2 247.342 1.786 20 0 BDADLO CC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1onc(C)c1C ZINC001278152599 980082314 /nfs/dbraw/zinc/08/23/14/980082314.db2.gz IZSQTZXALMBCOC-MFKMUULPSA-N 1 2 249.314 1.714 20 0 BDADLO CC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1onc(C)c1C ZINC001278152599 980082322 /nfs/dbraw/zinc/08/23/22/980082322.db2.gz IZSQTZXALMBCOC-MFKMUULPSA-N 1 2 249.314 1.714 20 0 BDADLO CC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1onc(C)c1C ZINC001278152598 980086307 /nfs/dbraw/zinc/08/63/07/980086307.db2.gz IZSQTZXALMBCOC-GXFFZTMASA-N 1 2 249.314 1.714 20 0 BDADLO CC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1onc(C)c1C ZINC001278152598 980086321 /nfs/dbraw/zinc/08/63/21/980086321.db2.gz IZSQTZXALMBCOC-GXFFZTMASA-N 1 2 249.314 1.714 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cc(C)n[nH]2)o1 ZINC000716463414 980131174 /nfs/dbraw/zinc/13/11/74/980131174.db2.gz NELIIGBIANWKRH-UHFFFAOYSA-N 1 2 249.270 1.388 20 0 BDADLO CCOc1cc(C[NH+]2CC(C)(O)C2)ccc1C ZINC001238066537 980136028 /nfs/dbraw/zinc/13/60/28/980136028.db2.gz CFZBMBLBNRQTCG-UHFFFAOYSA-N 1 2 235.327 1.960 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(O)ccc2C)C[C@@H]1F ZINC001238092692 980142731 /nfs/dbraw/zinc/14/27/31/980142731.db2.gz JIYBVSMQJBOOQG-QWHCGFSZSA-N 1 2 239.290 1.869 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(O)ccc2C)C[C@@H]1F ZINC001238092692 980142738 /nfs/dbraw/zinc/14/27/38/980142738.db2.gz JIYBVSMQJBOOQG-QWHCGFSZSA-N 1 2 239.290 1.869 20 0 BDADLO O=C(CCn1cc[nH+]c1)NN1C[C@@H]2CCC[C@H]2C1 ZINC001608164391 980172546 /nfs/dbraw/zinc/17/25/46/980172546.db2.gz ZBNIYTVUHCDFRN-RYUDHWBXSA-N 1 2 248.330 1.036 20 0 BDADLO Cc1ncncc1C[N@@H+]1CCCC12COC2 ZINC001238167195 980195428 /nfs/dbraw/zinc/19/54/28/980195428.db2.gz IWOWXAJRCALHNQ-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1ncncc1C[N@H+]1CCCC12COC2 ZINC001238167195 980195434 /nfs/dbraw/zinc/19/54/34/980195434.db2.gz IWOWXAJRCALHNQ-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)ccnc1Cl ZINC001238225582 980227876 /nfs/dbraw/zinc/22/78/76/980227876.db2.gz UKVUQYVETZPIBN-HTQZYQBOSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)ccnc1Cl ZINC001238225582 980227878 /nfs/dbraw/zinc/22/78/78/980227878.db2.gz UKVUQYVETZPIBN-HTQZYQBOSA-N 1 2 244.697 1.829 20 0 BDADLO O=C([O-])[C@@H](CC1CC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC001608535806 980228251 /nfs/dbraw/zinc/22/82/51/980228251.db2.gz ZUYPKEYTYMRZFI-LLVKDONJSA-N 1 2 249.314 1.172 20 0 BDADLO CO[C@@H]1CCCN(c2cc(N)cc(Cl)[nH+]2)C1 ZINC000154305838 980272944 /nfs/dbraw/zinc/27/29/44/980272944.db2.gz LSEZXNORODZQRQ-SECBINFHSA-N 1 2 241.722 1.932 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@@H+]1CCc1cnn[nH]1 ZINC001344041953 980324866 /nfs/dbraw/zinc/32/48/66/980324866.db2.gz XRZMFIKUTWJMMR-CYBMUJFWSA-N 1 2 245.330 1.523 20 0 BDADLO Cn1cccc1[C@H]1CCC[N@H+]1CCc1cnn[nH]1 ZINC001344041953 980324871 /nfs/dbraw/zinc/32/48/71/980324871.db2.gz XRZMFIKUTWJMMR-CYBMUJFWSA-N 1 2 245.330 1.523 20 0 BDADLO Nc1ccc(CNc2nccnc2F)c[nH+]1 ZINC001186156146 980341335 /nfs/dbraw/zinc/34/13/35/980341335.db2.gz HMUOHSSGBMWXIF-UHFFFAOYSA-N 1 2 219.223 1.205 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccccc1 ZINC000074673435 980382324 /nfs/dbraw/zinc/38/23/24/980382324.db2.gz INLRMOPQQMCFMD-UHFFFAOYSA-N 1 2 201.229 1.591 20 0 BDADLO CCn1c[nH+]cc1COC(=O)/C=C(/C)COC ZINC001344970742 980509087 /nfs/dbraw/zinc/50/90/87/980509087.db2.gz DKVIPNZQPHYACS-YHYXMXQVSA-N 1 2 238.287 1.539 20 0 BDADLO Fc1cnc(NCc2[nH]c3c([nH+]2)CCCC3)nc1 ZINC001187716335 980541491 /nfs/dbraw/zinc/54/14/91/980541491.db2.gz IWKKCXBZZIRUTJ-UHFFFAOYSA-N 1 2 247.277 1.830 20 0 BDADLO Cc1ccc(NC(=O)NC2C[NH+](C)C2)cc1F ZINC001187998775 980574995 /nfs/dbraw/zinc/57/49/95/980574995.db2.gz ZNGXQZYTQGVDLB-UHFFFAOYSA-N 1 2 237.278 1.570 20 0 BDADLO CC(C)OCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345250562 980591376 /nfs/dbraw/zinc/59/13/76/980591376.db2.gz DCHUOXVBTWKUEP-UHFFFAOYSA-N 1 2 240.303 1.586 20 0 BDADLO Cc1oncc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC001345400450 980607071 /nfs/dbraw/zinc/60/70/71/980607071.db2.gz MOBGWTQCVFCETF-NSHDSACASA-N 1 2 249.318 1.598 20 0 BDADLO c1cnc(C2CC2)c(CC[NH+]2CCOCC2)c1 ZINC001250276591 980646910 /nfs/dbraw/zinc/64/69/10/980646910.db2.gz JZIYLWHAMOTVCF-UHFFFAOYSA-N 1 2 232.327 1.834 20 0 BDADLO C[C@H](C(=O)NC[C@@H]1C[C@H]1C1CCC1)n1cc[nH+]c1 ZINC001345659779 980666303 /nfs/dbraw/zinc/66/63/03/980666303.db2.gz FDLOVOAQYCPZCB-WXHSDQCUSA-N 1 2 247.342 1.997 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001345895765 980704818 /nfs/dbraw/zinc/70/48/18/980704818.db2.gz ZKDXCPWKPBTKJM-QWRGUYRKSA-N 1 2 235.331 1.658 20 0 BDADLO CNC(=O)c1ccc(CCn2cc[nH+]c2)cc1 ZINC001250315076 980754143 /nfs/dbraw/zinc/75/41/43/980754143.db2.gz DGCXWLCJRVTCQV-UHFFFAOYSA-N 1 2 229.283 1.485 20 0 BDADLO CC(=O)c1ccc(CCn2cc[nH+]c2)cn1 ZINC001250319359 980756722 /nfs/dbraw/zinc/75/67/22/980756722.db2.gz QDHKWQWDALMEAJ-UHFFFAOYSA-N 1 2 215.256 1.723 20 0 BDADLO c1cn(CCc2cnn(C3CCOCC3)c2)c[nH+]1 ZINC001250316804 980759166 /nfs/dbraw/zinc/75/91/66/980759166.db2.gz ZAARMXUPIGWKAU-UHFFFAOYSA-N 1 2 246.314 1.674 20 0 BDADLO Cc1nnc(Cc2ccc(C)[nH+]c2C)o1 ZINC001250339628 980811309 /nfs/dbraw/zinc/81/13/09/980811309.db2.gz UDMKABBOQKKAJB-UHFFFAOYSA-N 1 2 203.245 1.981 20 0 BDADLO N#CNC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190107956 980847275 /nfs/dbraw/zinc/84/72/75/980847275.db2.gz WGNYEBKQGUZCTP-UHFFFAOYSA-N 1 2 212.212 1.083 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001346517828 980856059 /nfs/dbraw/zinc/85/60/59/980856059.db2.gz GSKUUMTUDOQMGZ-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1COCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001346661472 980877356 /nfs/dbraw/zinc/87/73/56/980877356.db2.gz CBSCVOTXWCNWOS-BDAKNGLRSA-N 1 2 225.292 1.271 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)CCc1[nH+]ccn1C ZINC001346680869 980882902 /nfs/dbraw/zinc/88/29/02/980882902.db2.gz CIMMLCIRIQLXFM-GHMZBOCLSA-N 1 2 235.331 1.752 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccn(C)c1C ZINC001346746914 980899266 /nfs/dbraw/zinc/89/92/66/980899266.db2.gz ICELDZBPOJTGJL-UHFFFAOYSA-N 1 2 247.298 1.907 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)n(C)n1 ZINC001346842551 980918559 /nfs/dbraw/zinc/91/85/59/980918559.db2.gz PZKSJZAJZBCYRK-MWLCHTKSSA-N 1 2 246.318 1.116 20 0 BDADLO CC[C@@H](C)CONC(=O)CCc1[nH+]ccn1C ZINC001347102315 980970142 /nfs/dbraw/zinc/97/01/42/980970142.db2.gz NQOABNSOIWQPPR-SNVBAGLBSA-N 1 2 239.319 1.447 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)NC1CC1 ZINC001191452574 981029587 /nfs/dbraw/zinc/02/95/87/981029587.db2.gz PAJVOQALFMKHIN-UHFFFAOYSA-N 1 2 217.272 1.276 20 0 BDADLO CNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001240014575 981100590 /nfs/dbraw/zinc/10/05/90/981100590.db2.gz MZAFPIXMKHVNLS-UHFFFAOYSA-N 1 2 215.256 1.447 20 0 BDADLO Fc1ccc2c(c1)CC[N@@H+](CC1=NOCC1)C2 ZINC001192324715 981143204 /nfs/dbraw/zinc/14/32/04/981143204.db2.gz KRBDDCSASBWODD-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO Fc1ccc2c(c1)CC[N@H+](CC1=NOCC1)C2 ZINC001192324715 981143207 /nfs/dbraw/zinc/14/32/07/981143207.db2.gz KRBDDCSASBWODD-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO Fc1ccc2c(c1)C[N@@H+](CC1=NOCC1)CC2 ZINC001192348848 981146848 /nfs/dbraw/zinc/14/68/48/981146848.db2.gz MMPHMEMCBOODQK-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO Fc1ccc2c(c1)C[N@H+](CC1=NOCC1)CC2 ZINC001192348848 981146849 /nfs/dbraw/zinc/14/68/49/981146849.db2.gz MMPHMEMCBOODQK-UHFFFAOYSA-N 1 2 234.274 1.960 20 0 BDADLO CN(C)c1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240213554 981161578 /nfs/dbraw/zinc/16/15/78/981161578.db2.gz FBICHZBYFAXVCM-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC001347851105 981198579 /nfs/dbraw/zinc/19/85/79/981198579.db2.gz SARBMPVYEOVTLO-NSHDSACASA-N 1 2 243.372 1.765 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC001347851105 981198585 /nfs/dbraw/zinc/19/85/85/981198585.db2.gz SARBMPVYEOVTLO-NSHDSACASA-N 1 2 243.372 1.765 20 0 BDADLO CCc1ccc(N(C)CC(=O)NC2CC2)[nH+]c1 ZINC001347865568 981201177 /nfs/dbraw/zinc/20/11/77/981201177.db2.gz FLIXXOFPVBOVGX-UHFFFAOYSA-N 1 2 233.315 1.359 20 0 BDADLO COc1ccnc(C[NH2+]Cc2ccncc2)c1F ZINC001203173717 981207511 /nfs/dbraw/zinc/20/75/11/981207511.db2.gz BJWHAGSFDQDRKG-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO Cn1cc(-c2ccc(Cn3cc[nH+]c3)cn2)cn1 ZINC001240294066 981240083 /nfs/dbraw/zinc/24/00/83/981240083.db2.gz QZMSKSOPJQGLGH-UHFFFAOYSA-N 1 2 239.282 1.727 20 0 BDADLO Cc1c[nH]c(C)c1C(=O)NCCn1cc[nH+]c1 ZINC001193347925 981296720 /nfs/dbraw/zinc/29/67/20/981296720.db2.gz PHTNQXLUEKNUON-UHFFFAOYSA-N 1 2 232.287 1.258 20 0 BDADLO CN(C)c1cc(-c2ccc(=O)n(C)c2)cc[nH+]1 ZINC001240331837 981300551 /nfs/dbraw/zinc/30/05/51/981300551.db2.gz CUQHBKLELLGDQF-UHFFFAOYSA-N 1 2 229.283 1.513 20 0 BDADLO CCC[C@@]1(CO)CCN(c2cc(N)nc[nH+]2)C1 ZINC001348183275 981304257 /nfs/dbraw/zinc/30/42/57/981304257.db2.gz FVRRGTRZQCJKID-GFCCVEGCSA-N 1 2 236.319 1.048 20 0 BDADLO CCc1ccc(N2CC[C@@H](NC(C)=O)C2)[nH+]c1 ZINC001348215447 981310579 /nfs/dbraw/zinc/31/05/79/981310579.db2.gz SOSINUCUNBTXEP-GFCCVEGCSA-N 1 2 233.315 1.359 20 0 BDADLO c1nc2ccc(-c3cc[nH+]c4c3CCN4)cn2n1 ZINC001240359857 981315740 /nfs/dbraw/zinc/31/57/40/981315740.db2.gz UGSMARQUDMJSIB-UHFFFAOYSA-N 1 2 237.266 1.759 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001348254934 981320353 /nfs/dbraw/zinc/32/03/53/981320353.db2.gz UTKCWBXMDGQUGJ-VXGBXAGGSA-N 1 2 249.358 1.761 20 0 BDADLO Cn1nncc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC001348538585 981385903 /nfs/dbraw/zinc/38/59/03/981385903.db2.gz YKYMPWFXGHULLD-UHFFFAOYSA-N 1 2 219.292 1.357 20 0 BDADLO c1cc2ncc(-c3cc[nH+]c4c3CCN4)cn2n1 ZINC001240443435 981389136 /nfs/dbraw/zinc/38/91/36/981389136.db2.gz SNLBGKJEKCJGIM-UHFFFAOYSA-N 1 2 237.266 1.759 20 0 BDADLO CCO[C@@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001348626735 981409545 /nfs/dbraw/zinc/40/95/45/981409545.db2.gz POFCSQPCQYZHBO-JTQLQIEISA-N 1 2 240.303 1.321 20 0 BDADLO Cc1[nH]ncc1C(=O)OCCCc1c[nH+]cn1C ZINC001348637274 981412761 /nfs/dbraw/zinc/41/27/61/981412761.db2.gz FXQNIGJTCKUXMK-UHFFFAOYSA-N 1 2 248.286 1.241 20 0 BDADLO CCCCOC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001193722764 981414233 /nfs/dbraw/zinc/41/42/33/981414233.db2.gz YRCQJJNKNOQHSO-LLVKDONJSA-N 1 2 246.326 1.947 20 0 BDADLO CCCCOC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001193722764 981414235 /nfs/dbraw/zinc/41/42/35/981414235.db2.gz YRCQJJNKNOQHSO-LLVKDONJSA-N 1 2 246.326 1.947 20 0 BDADLO CN(C)c1cnc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240496337 981417551 /nfs/dbraw/zinc/41/75/51/981417551.db2.gz BOAXRDQATIYATL-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO Cn1ncc(-c2ccn3cc[nH+]c3c2)cc1=O ZINC001240503382 981430210 /nfs/dbraw/zinc/43/02/10/981430210.db2.gz NPJAJVYMWJNITL-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO NC(=O)c1ccncc1-c1ccn2cc[nH+]c2c1 ZINC001240508610 981434587 /nfs/dbraw/zinc/43/45/87/981434587.db2.gz FNNQNKGQNWNLNJ-UHFFFAOYSA-N 1 2 238.250 1.495 20 0 BDADLO C[NH+](C)Cc1nnc(CCC(F)(F)F)o1 ZINC001348901170 981472675 /nfs/dbraw/zinc/47/26/75/981472675.db2.gz UNVKSEURQCDJJZ-UHFFFAOYSA-N 1 2 223.198 1.626 20 0 BDADLO CCCN(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001349466315 981561274 /nfs/dbraw/zinc/56/12/74/981561274.db2.gz BWRVVVFVJLNKKN-UHFFFAOYSA-N 1 2 236.319 1.675 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(C(=O)NC=N)c1 ZINC001194917541 981965970 /nfs/dbraw/zinc/96/59/70/981965970.db2.gz NIWOQZUWWWLUCK-UHFFFAOYSA-N 1 2 228.255 1.424 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC001350500134 981988140 /nfs/dbraw/zinc/98/81/40/981988140.db2.gz QLEYUTXCMZFPML-SMDDNHRTSA-N 1 2 249.358 1.761 20 0 BDADLO C/C=C(\CC)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001586737087 982012748 /nfs/dbraw/zinc/01/27/48/982012748.db2.gz CVJYWEPYHCECCQ-XCVCLJGOSA-N 1 2 245.326 1.905 20 0 BDADLO CC[C@@H](C)OC(=O)N1CCc2[nH+]ccn2CC1 ZINC001195108848 982089566 /nfs/dbraw/zinc/08/95/66/982089566.db2.gz NUGJVHDRVJNXDR-SNVBAGLBSA-N 1 2 237.303 1.676 20 0 BDADLO COC(C)(C)[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001351000449 982153077 /nfs/dbraw/zinc/15/30/77/982153077.db2.gz SKNSJFNPLMCSPL-ZJUUUORDSA-N 1 2 239.319 1.374 20 0 BDADLO COC(C)(C)[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001351000446 982153744 /nfs/dbraw/zinc/15/37/44/982153744.db2.gz SKNSJFNPLMCSPL-NXEZZACHSA-N 1 2 239.319 1.374 20 0 BDADLO Cc1cn2cc(-c3cc[nH+]c(N)c3)cnc2n1 ZINC001241162302 982300621 /nfs/dbraw/zinc/30/06/21/982300621.db2.gz HLTXOFJWYJLGQF-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO COCCn1ccc(-c2cc[nH+]c(N)c2)cc1=O ZINC001241169756 982312275 /nfs/dbraw/zinc/31/22/75/982312275.db2.gz BCOQHSLDVLHMNC-UHFFFAOYSA-N 1 2 245.282 1.139 20 0 BDADLO Cc1cc(-c2cc[nH+]c(N)c2)ccc1C(N)=O ZINC001241169471 982313180 /nfs/dbraw/zinc/31/31/80/982313180.db2.gz AOGDRFABGBCGEJ-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Nc1cc(-c2cccc3c2CC(=O)NC3)cc[nH+]1 ZINC001241169795 982314424 /nfs/dbraw/zinc/31/44/24/982314424.db2.gz CEVPPIYEOXXXHP-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO Cc1nc2cc(-c3cc[nH+]c(N)c3)ccn2n1 ZINC001241170479 982315986 /nfs/dbraw/zinc/31/59/86/982315986.db2.gz KHHVOIUNEBTTMH-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Nc1cc(-c2cc[nH+]c3c2CCN3)ccn1 ZINC001241175771 982328761 /nfs/dbraw/zinc/32/87/61/982328761.db2.gz MFJLZBAWCPJZEF-UHFFFAOYSA-N 1 2 212.256 1.694 20 0 BDADLO COc1cc(-c2c[nH+]c(N(C)C)cc2C)ncn1 ZINC001241228125 982376521 /nfs/dbraw/zinc/37/65/21/982376521.db2.gz GJVTZZIEDDUNET-UHFFFAOYSA-N 1 2 244.298 1.922 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(N)nn1 ZINC001241234685 982386464 /nfs/dbraw/zinc/38/64/64/982386464.db2.gz DBWGADBOWJKOLT-UHFFFAOYSA-N 1 2 229.287 1.495 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC001250965144 982400661 /nfs/dbraw/zinc/40/06/61/982400661.db2.gz QWWFPGQPEPWFKY-QYNIQEEDSA-N 1 2 215.190 1.342 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@H+]1C[C@H](O)C(F)(F)F ZINC001250965144 982400663 /nfs/dbraw/zinc/40/06/63/982400663.db2.gz QWWFPGQPEPWFKY-QYNIQEEDSA-N 1 2 215.190 1.342 20 0 BDADLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC001352243135 982496087 /nfs/dbraw/zinc/49/60/87/982496087.db2.gz MLKOHYNYVADSBX-JOYOIKCWSA-N 1 2 249.314 1.042 20 0 BDADLO CCOc1ccc[nH+]c1N[C@@H](CC)CO ZINC000160203429 982516574 /nfs/dbraw/zinc/51/65/74/982516574.db2.gz UEBRYIJNPOAFGB-VIFPVBQESA-N 1 2 210.277 1.663 20 0 BDADLO CNC(=O)c1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241430729 982586066 /nfs/dbraw/zinc/58/60/66/982586066.db2.gz HLPNKLBPEMVSHI-UHFFFAOYSA-N 1 2 228.255 1.085 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1cnn2C ZINC001241448087 982598976 /nfs/dbraw/zinc/59/89/76/982598976.db2.gz ANKBBIDFZGXTRK-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@](C)(CC)OC)C1CC1 ZINC001352865253 982599468 /nfs/dbraw/zinc/59/94/68/982599468.db2.gz YNEUDLKNHVPWLC-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@](C)(CC)OC)C1CC1 ZINC001352865246 982613950 /nfs/dbraw/zinc/61/39/50/982613950.db2.gz YNEUDLKNHVPWLC-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)N1CCn2c[nH+]cc2C1 ZINC001353045126 982673806 /nfs/dbraw/zinc/67/38/06/982673806.db2.gz XLWZFWCURUVEHK-LLVKDONJSA-N 1 2 246.314 1.375 20 0 BDADLO CCc1cnc(NC(=O)C[C@@H]([NH3+])C(F)F)s1 ZINC001353239370 982795316 /nfs/dbraw/zinc/79/53/16/982795316.db2.gz UZUNOBBYTNLYGZ-ZCFIWIBFSA-N 1 2 249.286 1.627 20 0 BDADLO COC(=O)[C@@H](F)CNc1nc(C)[nH+]cc1C ZINC001353309602 982832706 /nfs/dbraw/zinc/83/27/06/982832706.db2.gz LLSBNOBFGPZLQG-QMMMGPOBSA-N 1 2 227.239 1.016 20 0 BDADLO Cc1nc(N)ncc1-c1cc[nH+]c(N)c1 ZINC001241644415 982882626 /nfs/dbraw/zinc/88/26/26/982882626.db2.gz IZCUWJOLBZLYQN-UHFFFAOYSA-N 1 2 201.233 1.011 20 0 BDADLO Cc1cnccc1C[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001205862811 982918832 /nfs/dbraw/zinc/91/88/32/982918832.db2.gz NYNBYANCYFOSJC-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001205862811 982918853 /nfs/dbraw/zinc/91/88/53/982918853.db2.gz NYNBYANCYFOSJC-ZDUSSCGKSA-N 1 2 245.326 1.197 20 0 BDADLO c1cc(C[NH2+]C[C@H]2OCCc3ccccc32)[nH]n1 ZINC001200400837 982945796 /nfs/dbraw/zinc/94/57/96/982945796.db2.gz OEMMOFORWLVLTB-CQSZACIVSA-N 1 2 243.310 1.813 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)C1(C2CC2)CC1 ZINC001353691274 982970042 /nfs/dbraw/zinc/97/00/42/982970042.db2.gz PFKLXUMXJFXBOS-UHFFFAOYSA-N 1 2 231.299 1.416 20 0 BDADLO C[C@H](O)CNc1ccc[nH+]c1N1CCCC1 ZINC001251955734 983018589 /nfs/dbraw/zinc/01/85/89/983018589.db2.gz WLDPXERZFVHZPG-JTQLQIEISA-N 1 2 221.304 1.475 20 0 BDADLO O=C(CC1CSC1)N[C@H]1CCn2c[nH+]cc21 ZINC001353863363 983035775 /nfs/dbraw/zinc/03/57/75/983035775.db2.gz UPQIQMHCHDVTEC-VIFPVBQESA-N 1 2 237.328 1.197 20 0 BDADLO C[C@H](O)CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001251964115 983035995 /nfs/dbraw/zinc/03/59/95/983035995.db2.gz CUOLQNXSMUYIEE-QWRGUYRKSA-N 1 2 248.317 1.173 20 0 BDADLO C[C@H](O)CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001251964116 983036757 /nfs/dbraw/zinc/03/67/57/983036757.db2.gz CUOLQNXSMUYIEE-WDEREUQCSA-N 1 2 248.317 1.173 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(F)c(CO)c1 ZINC001241787806 983046845 /nfs/dbraw/zinc/04/68/45/983046845.db2.gz USWWVSBVJVRAMR-UHFFFAOYSA-N 1 2 206.220 1.719 20 0 BDADLO Cc1conc1C[NH2+]C/C=C/CNC(=O)C1CC1 ZINC001273797712 983048557 /nfs/dbraw/zinc/04/85/57/983048557.db2.gz DLMURXXCRAELLD-NSCUHMNNSA-N 1 2 249.314 1.155 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001251982736 983067891 /nfs/dbraw/zinc/06/78/91/983067891.db2.gz GIQHIDLDBYUESB-SMDDNHRTSA-N 1 2 233.311 1.773 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001251982736 983067903 /nfs/dbraw/zinc/06/79/03/983067903.db2.gz GIQHIDLDBYUESB-SMDDNHRTSA-N 1 2 233.311 1.773 20 0 BDADLO C[C@@H](C1CC1)N(C)c1cc(N(C)C)[nH+]cn1 ZINC001354071742 983137680 /nfs/dbraw/zinc/13/76/80/983137680.db2.gz RDADPKWNOGGADK-VIFPVBQESA-N 1 2 220.320 1.777 20 0 BDADLO C[C@@H](C1CC1)N(C)c1cc(N(C)C)nc[nH+]1 ZINC001354071742 983137687 /nfs/dbraw/zinc/13/76/87/983137687.db2.gz RDADPKWNOGGADK-VIFPVBQESA-N 1 2 220.320 1.777 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H](F)C1 ZINC001354084064 983147691 /nfs/dbraw/zinc/14/76/91/983147691.db2.gz VLKGUPKKPDZRPG-BDAKNGLRSA-N 1 2 225.267 1.349 20 0 BDADLO CNC(=O)c1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201284726 983156222 /nfs/dbraw/zinc/15/62/22/983156222.db2.gz YKVHITNDQWDPAL-UHFFFAOYSA-N 1 2 242.282 1.767 20 0 BDADLO CN(C)c1cccnc1Nc1ccc(N)[nH+]c1 ZINC001201279669 983158402 /nfs/dbraw/zinc/15/84/02/983158402.db2.gz RXVAMBFATUBHFO-UHFFFAOYSA-N 1 2 229.287 1.868 20 0 BDADLO Cc1nccn1CCCNc1cc[nH+]c(N)n1 ZINC001354119465 983163101 /nfs/dbraw/zinc/16/31/01/983163101.db2.gz HTFXHRDXDLVLAM-UHFFFAOYSA-N 1 2 232.291 1.066 20 0 BDADLO COC[C@@H](Nc1cc(N)nc[nH+]1)c1ccc(C)o1 ZINC001354119438 983164237 /nfs/dbraw/zinc/16/42/37/983164237.db2.gz ARSNHCNSLRWJBJ-SECBINFHSA-N 1 2 248.286 1.760 20 0 BDADLO Nc1ccc(Nc2cc[nH]c(=O)c2)c[nH+]1 ZINC001201272069 983173463 /nfs/dbraw/zinc/17/34/63/983173463.db2.gz HMHNZDQYXHCDSE-UHFFFAOYSA-N 1 2 202.217 1.508 20 0 BDADLO Nc1ccc(Nc2cc(F)ccn2)c[nH+]1 ZINC001201272740 983173991 /nfs/dbraw/zinc/17/39/91/983173991.db2.gz TZHJPJLPSLGOHA-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO CC(=O)N1CC=C(c2c[nH+]cn2C)CC1 ZINC001241968224 983175808 /nfs/dbraw/zinc/17/58/08/983175808.db2.gz IRMBJRVUEQXJNQ-UHFFFAOYSA-N 1 2 205.261 1.056 20 0 BDADLO CC(=O)N1CC=C(c2ccn3cc[nH+]c3c2)CC1 ZINC001241968433 983176277 /nfs/dbraw/zinc/17/62/77/983176277.db2.gz MHNCBZHJUILSFT-UHFFFAOYSA-N 1 2 241.294 1.970 20 0 BDADLO COc1cc[nH+]cc1C1=CCN(C(C)=O)CC1 ZINC001241968983 983176812 /nfs/dbraw/zinc/17/68/12/983176812.db2.gz WJJMCUBOJILPNE-UHFFFAOYSA-N 1 2 232.283 1.726 20 0 BDADLO COc1ncc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201275750 983177024 /nfs/dbraw/zinc/17/70/24/983177024.db2.gz LFRAKATTYVPFOR-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO COc1cncc(Nc2ccc(N)[nH+]c2)c1 ZINC001201275743 983177164 /nfs/dbraw/zinc/17/71/64/983177164.db2.gz LBHRHJGXPOCDSS-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO Cc1cnn2cc(Nc3ccc(N)[nH+]c3)cnc12 ZINC001201278143 983177188 /nfs/dbraw/zinc/17/71/88/983177188.db2.gz BROBPVACEXLKBZ-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO Nc1ccc(Nc2ncc(F)cc2O)c[nH+]1 ZINC001201278870 983178569 /nfs/dbraw/zinc/17/85/69/983178569.db2.gz OXOBTWZFVNIDJX-UHFFFAOYSA-N 1 2 220.207 1.647 20 0 BDADLO CNC(=O)[C@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001354217563 983198034 /nfs/dbraw/zinc/19/80/34/983198034.db2.gz VJFJCVOWLYDKAE-VIFPVBQESA-N 1 2 237.278 1.101 20 0 BDADLO CNC(=O)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242018411 983222045 /nfs/dbraw/zinc/22/20/45/983222045.db2.gz MIDZHHKWDGFPFV-UHFFFAOYSA-N 1 2 215.256 1.365 20 0 BDADLO CC(C)C[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201463792 983233469 /nfs/dbraw/zinc/23/34/69/983233469.db2.gz LLGUEFGCXYGYNR-SECBINFHSA-N 1 2 207.264 1.592 20 0 BDADLO CC(C)C[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201463792 983233481 /nfs/dbraw/zinc/23/34/81/983233481.db2.gz LLGUEFGCXYGYNR-SECBINFHSA-N 1 2 207.264 1.592 20 0 BDADLO CNC(=S)NCc1c[nH+]c2ccc(C)cn12 ZINC001200612492 983237727 /nfs/dbraw/zinc/23/77/27/983237727.db2.gz ZUFIDEDXIICUFY-UHFFFAOYSA-N 1 2 234.328 1.237 20 0 BDADLO CC(C)C[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001201479063 983286473 /nfs/dbraw/zinc/28/64/73/983286473.db2.gz ZEZTZWAYZZHYRU-JTQLQIEISA-N 1 2 249.351 1.101 20 0 BDADLO S=C(NCCOc1cc[nH+]cc1)NC1CC1 ZINC001200640493 983295294 /nfs/dbraw/zinc/29/52/94/983295294.db2.gz KSLLUTHIEHWAOG-UHFFFAOYSA-N 1 2 237.328 1.087 20 0 BDADLO Cc1ccnc(-c2c[nH+]c(N)cc2C)c1C(N)=O ZINC001242070593 983303490 /nfs/dbraw/zinc/30/34/90/983303490.db2.gz DQQJVESJANLTLC-UHFFFAOYSA-N 1 2 242.282 1.442 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncc2ccn(C)c2n1 ZINC001242071294 983305284 /nfs/dbraw/zinc/30/52/84/983305284.db2.gz ZDQABRCAKARJRY-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO COc1cncc(-c2c[nH+]c(N)cc2C)n1 ZINC001242070649 983305839 /nfs/dbraw/zinc/30/58/39/983305839.db2.gz HLQIZFKVCCANJW-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO CN1CCOc2c1cn[nH+]c2C1=CCOCC1 ZINC001242075170 983318079 /nfs/dbraw/zinc/31/80/79/983318079.db2.gz YTAOOKGHVJJEMB-UHFFFAOYSA-N 1 2 233.271 1.109 20 0 BDADLO CC[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001201587693 983349607 /nfs/dbraw/zinc/34/96/07/983349607.db2.gz VYBSBLHHCCGVQU-VIFPVBQESA-N 1 2 214.309 1.905 20 0 BDADLO CC[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001201587693 983349604 /nfs/dbraw/zinc/34/96/04/983349604.db2.gz VYBSBLHHCCGVQU-VIFPVBQESA-N 1 2 214.309 1.905 20 0 BDADLO Cc1[nH+]cc(NC(=S)NC(C)C)n1C ZINC001200778591 983358399 /nfs/dbraw/zinc/35/83/99/983358399.db2.gz WBCHAUAWUJCGTH-UHFFFAOYSA-N 1 2 212.322 1.423 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCC(C)C ZINC001201613485 983372357 /nfs/dbraw/zinc/37/23/57/983372357.db2.gz KKWIXCGBHKEBPQ-ZJUUUORDSA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCC(C)C ZINC001201613485 983372365 /nfs/dbraw/zinc/37/23/65/983372365.db2.gz KKWIXCGBHKEBPQ-ZJUUUORDSA-N 1 2 217.284 1.618 20 0 BDADLO Cc1c[nH+]c(Nc2cncc(O)c2)c(N)c1 ZINC001201627923 983379967 /nfs/dbraw/zinc/37/99/67/983379967.db2.gz BWFJBNBYAOEHHL-UHFFFAOYSA-N 1 2 216.244 1.816 20 0 BDADLO CSCCC[N@H+]1Cc2cncnc2C1 ZINC001201682387 983395206 /nfs/dbraw/zinc/39/52/06/983395206.db2.gz ZMMJHFFRNGJRCV-UHFFFAOYSA-N 1 2 209.318 1.545 20 0 BDADLO CSCCC[N@@H+]1Cc2cncnc2C1 ZINC001201682387 983395198 /nfs/dbraw/zinc/39/51/98/983395198.db2.gz ZMMJHFFRNGJRCV-UHFFFAOYSA-N 1 2 209.318 1.545 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cccn2C2CC2)C[C@@H]1F ZINC001355372969 983481485 /nfs/dbraw/zinc/48/14/85/983481485.db2.gz HKMMTUAGRVAJHI-QWHCGFSZSA-N 1 2 238.306 1.728 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cccn2C2CC2)C[C@@H]1F ZINC001355372969 983481489 /nfs/dbraw/zinc/48/14/89/983481489.db2.gz HKMMTUAGRVAJHI-QWHCGFSZSA-N 1 2 238.306 1.728 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1CC1CC1 ZINC001201876022 983500677 /nfs/dbraw/zinc/50/06/77/983500677.db2.gz XBXDEPVIVWKELA-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO OC[C@@H]1CCC(F)(F)C[N@H+]1CC1CC1 ZINC001201876022 983500692 /nfs/dbraw/zinc/50/06/92/983500692.db2.gz XBXDEPVIVWKELA-VIFPVBQESA-N 1 2 205.248 1.488 20 0 BDADLO CCN(C(=O)Nc1ccccc1)C1C[NH+](C)C1 ZINC001201956456 983526737 /nfs/dbraw/zinc/52/67/37/983526737.db2.gz OEUUAFGGBBRFKY-UHFFFAOYSA-N 1 2 233.315 1.854 20 0 BDADLO Oc1c(F)cccc1-c1cc2c(nn1)C[NH2+]C2 ZINC001242349472 983611253 /nfs/dbraw/zinc/61/12/53/983611253.db2.gz QTPLKWKKWDKHKB-UHFFFAOYSA-N 1 2 231.230 1.592 20 0 BDADLO Cc1cccc([C@@H](O)C[NH2+]CC(F)F)c1 ZINC001356585954 983633987 /nfs/dbraw/zinc/63/39/87/983633987.db2.gz OWUJAJRUOAOEMX-JTQLQIEISA-N 1 2 215.243 1.883 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)C ZINC001252107725 983659669 /nfs/dbraw/zinc/65/96/69/983659669.db2.gz IKJYNYIWBFYNPZ-MNOVXSKESA-N 1 2 231.336 1.325 20 0 BDADLO NC(=O)N1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202416416 983652803 /nfs/dbraw/zinc/65/28/03/983652803.db2.gz VVNWGOJVZQDPAV-UHFFFAOYSA-N 1 2 239.241 1.025 20 0 BDADLO CCCC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OC ZINC001252106273 983656022 /nfs/dbraw/zinc/65/60/22/983656022.db2.gz MMZSWLHQKJZJSW-ZJUUUORDSA-N 1 2 217.309 1.079 20 0 BDADLO CC(=O)NC1C[NH+](CCCC(F)(F)F)C1 ZINC001202424945 983656148 /nfs/dbraw/zinc/65/61/48/983656148.db2.gz QACDCSCVMRGOFR-UHFFFAOYSA-N 1 2 224.226 1.149 20 0 BDADLO O[C@H](CNc1cc[nH+]nc1)c1ccc(F)cc1 ZINC001252835676 983935116 /nfs/dbraw/zinc/93/51/16/983935116.db2.gz NIBDPGKKRNZOHU-GFCCVEGCSA-N 1 2 233.246 1.761 20 0 BDADLO CCNC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001202558174 984059219 /nfs/dbraw/zinc/05/92/19/984059219.db2.gz YQFYBCCJCDPCEE-UHFFFAOYSA-N 1 2 236.319 1.502 20 0 BDADLO OC[C@H]1C[N@H+](CC2CCC2)CC(F)(F)C1 ZINC001202705186 984162241 /nfs/dbraw/zinc/16/22/41/984162241.db2.gz FWHCFGMTYXZDFR-SNVBAGLBSA-N 1 2 219.275 1.736 20 0 BDADLO OC[C@H]1C[N@@H+](CC2CCC2)CC(F)(F)C1 ZINC001202705186 984162258 /nfs/dbraw/zinc/16/22/58/984162258.db2.gz FWHCFGMTYXZDFR-SNVBAGLBSA-N 1 2 219.275 1.736 20 0 BDADLO c1c[nH]c(C[NH+]2CCN(c3ccncn3)CC2)c1 ZINC001204011109 984169666 /nfs/dbraw/zinc/16/96/66/984169666.db2.gz JPZWKMADTRHRHW-UHFFFAOYSA-N 1 2 243.314 1.127 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc[nH]1 ZINC001204013431 984210669 /nfs/dbraw/zinc/21/06/69/984210669.db2.gz RKNNJDBRLXKKST-ADEWGFFLSA-N 1 2 234.299 1.541 20 0 BDADLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc[nH]1 ZINC001204013431 984210676 /nfs/dbraw/zinc/21/06/76/984210676.db2.gz RKNNJDBRLXKKST-ADEWGFFLSA-N 1 2 234.299 1.541 20 0 BDADLO Nc1cn2ccc(-c3ccncn3)cc2[nH+]1 ZINC001242917440 984289247 /nfs/dbraw/zinc/28/92/47/984289247.db2.gz VUSBTZUAKPWGIW-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cc[nH]c2)c[nH+]1 ZINC001299356728 984365577 /nfs/dbraw/zinc/36/55/77/984365577.db2.gz UTMYGSBANMTKLB-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C1(C)C ZINC001321204649 984386475 /nfs/dbraw/zinc/38/64/75/984386475.db2.gz KVFHYCNLTDQQEH-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C1(C)C ZINC001321204649 984386484 /nfs/dbraw/zinc/38/64/84/984386484.db2.gz KVFHYCNLTDQQEH-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)c(F)c1 ZINC001274920639 984406850 /nfs/dbraw/zinc/40/68/50/984406850.db2.gz MTOBFOKSDKOQOO-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO Cc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)c(F)c1 ZINC001274920639 984406874 /nfs/dbraw/zinc/40/68/74/984406874.db2.gz MTOBFOKSDKOQOO-UHFFFAOYSA-N 1 2 248.301 1.664 20 0 BDADLO CNC(=O)c1ccccc1-c1c[nH+]cn1C ZINC001243069009 984486453 /nfs/dbraw/zinc/48/64/53/984486453.db2.gz MHXNLIQNDBPBBQ-UHFFFAOYSA-N 1 2 215.256 1.447 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CNC2=O ZINC001243068887 984486827 /nfs/dbraw/zinc/48/68/27/984486827.db2.gz KOSPJMSYAANXHR-UHFFFAOYSA-N 1 2 213.240 1.331 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(O)cc1C ZINC001446467387 984656274 /nfs/dbraw/zinc/65/62/74/984656274.db2.gz QYKWTSAAPNVATB-GFCCVEGCSA-N 1 2 234.299 1.733 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(O)cc1C ZINC001446467387 984656290 /nfs/dbraw/zinc/65/62/90/984656290.db2.gz QYKWTSAAPNVATB-GFCCVEGCSA-N 1 2 234.299 1.733 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccncc2)CCO1 ZINC001256749240 984810793 /nfs/dbraw/zinc/81/07/93/984810793.db2.gz BXUUIGMMIMQTDA-FZMZJTMJSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccncc2)CCO1 ZINC001256749240 984810794 /nfs/dbraw/zinc/81/07/94/984810794.db2.gz BXUUIGMMIMQTDA-FZMZJTMJSA-N 1 2 248.326 1.302 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1n[nH]cc1F ZINC001448961498 984823462 /nfs/dbraw/zinc/82/34/62/984823462.db2.gz KMXVGIMGMSBGJM-UHFFFAOYSA-N 1 2 245.217 1.449 20 0 BDADLO C[C@H](C(=O)N1CC[C@@H]1C1CC1)n1cc[nH+]c1 ZINC001450008174 984855698 /nfs/dbraw/zinc/85/56/98/984855698.db2.gz YDTOWQMYPVNMFJ-MWLCHTKSSA-N 1 2 219.288 1.455 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(C2CC2)n1 ZINC001450063505 984858869 /nfs/dbraw/zinc/85/88/69/984858869.db2.gz DYRCQQNAIISFHZ-LBPRGKRZSA-N 1 2 245.326 1.992 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(C2CC2)n1 ZINC001450063505 984858874 /nfs/dbraw/zinc/85/88/74/984858874.db2.gz DYRCQQNAIISFHZ-LBPRGKRZSA-N 1 2 245.326 1.992 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCn2c[nH+]cc2C1 ZINC001450722284 984877396 /nfs/dbraw/zinc/87/73/96/984877396.db2.gz QMKADIBMVYWECX-SNVBAGLBSA-N 1 2 217.272 1.025 20 0 BDADLO CCC[C@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001257308692 984881616 /nfs/dbraw/zinc/88/16/16/984881616.db2.gz DHNCEUFLCVKXSD-UWVGGRQHSA-N 1 2 231.336 1.467 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cccc(CCO)c1 ZINC001451342888 984887406 /nfs/dbraw/zinc/88/74/06/984887406.db2.gz VTDMACDRDCBWEP-UHFFFAOYSA-N 1 2 245.282 1.126 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@]1(F)CCOC1 ZINC001327163252 984939341 /nfs/dbraw/zinc/93/93/41/984939341.db2.gz BIZRQGBPADQHHN-LBPRGKRZSA-N 1 2 249.245 1.401 20 0 BDADLO COC(=O)c1nccc(-c2ccc[nH+]c2N)c1C ZINC001243473546 985022126 /nfs/dbraw/zinc/02/21/26/985022126.db2.gz MOXFSSABNMDHEW-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO CCOC(=O)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243474666 985027880 /nfs/dbraw/zinc/02/78/80/985027880.db2.gz PCDFNZQBGVUXQZ-UHFFFAOYSA-N 1 2 243.266 1.903 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)CC(=O)NC2 ZINC001243476653 985039429 /nfs/dbraw/zinc/03/94/29/985039429.db2.gz DWWCWRSIVIKZHD-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO CC(C)=C(C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454534215 985039454 /nfs/dbraw/zinc/03/94/54/985039454.db2.gz PJKQAZPKRVYCAQ-UHFFFAOYSA-N 1 2 245.326 1.905 20 0 BDADLO Cc1ncc(-c2ccc[nH+]c2N)cc1C(N)=O ZINC001243478162 985042484 /nfs/dbraw/zinc/04/24/84/985042484.db2.gz URCJVODHLCHPKL-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO CC[C@@H](C)[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257448726 985046342 /nfs/dbraw/zinc/04/63/42/985046342.db2.gz WXOSHNMDRHNFRE-LLVKDONJSA-N 1 2 233.315 1.529 20 0 BDADLO CC[C@@H](C)[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257448726 985046358 /nfs/dbraw/zinc/04/63/58/985046358.db2.gz WXOSHNMDRHNFRE-LLVKDONJSA-N 1 2 233.315 1.529 20 0 BDADLO CC[NH2+]Cc1noc([C@]23CCC[C@H]2OCC3)n1 ZINC000687378413 985299892 /nfs/dbraw/zinc/29/98/92/985299892.db2.gz ICHAARCQJUFKOP-SKDRFNHKSA-N 1 2 237.303 1.390 20 0 BDADLO COCCOc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243949099 985634239 /nfs/dbraw/zinc/63/42/39/985634239.db2.gz QJWXIPUCERRJJW-UHFFFAOYSA-N 1 2 235.287 1.226 20 0 BDADLO COc1cc(C)c(C2=C[NH2+]CCC2)nn1 ZINC001243949795 985641928 /nfs/dbraw/zinc/64/19/28/985641928.db2.gz QXHFOUGCGFPUJJ-UHFFFAOYSA-N 1 2 205.261 1.518 20 0 BDADLO CCN(C)c1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243950223 985642117 /nfs/dbraw/zinc/64/21/17/985642117.db2.gz YZDFELNXEJSHFJ-UHFFFAOYSA-N 1 2 218.304 1.657 20 0 BDADLO c1nc2c(c(C3=C[NH2+]CCC3)n1)COC2 ZINC001243949663 985645211 /nfs/dbraw/zinc/64/52/11/985645211.db2.gz OVTLXJNRXISKDF-UHFFFAOYSA-N 1 2 203.245 1.231 20 0 BDADLO O=c1ccnc2c(C3=C[NH2+]CCC3)cccn12 ZINC001243950933 985650984 /nfs/dbraw/zinc/65/09/84/985650984.db2.gz REHPUDQWJXHBOK-UHFFFAOYSA-N 1 2 227.267 1.419 20 0 BDADLO c1cc2nn[nH]c2c(C2=C[NH2+]CCC2)c1 ZINC001243951470 985654375 /nfs/dbraw/zinc/65/43/75/985654375.db2.gz WRNOMQDBVIOFSB-UHFFFAOYSA-N 1 2 200.245 1.682 20 0 BDADLO c1cc2[nH]nnc2c(C2=C[NH2+]CCC2)c1 ZINC001243951470 985654381 /nfs/dbraw/zinc/65/43/81/985654381.db2.gz WRNOMQDBVIOFSB-UHFFFAOYSA-N 1 2 200.245 1.682 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@H](CC)c1noc(C)n1 ZINC001459933471 985671993 /nfs/dbraw/zinc/67/19/93/985671993.db2.gz KUTBHLZJWFUDDD-NXEZZACHSA-N 1 2 227.308 1.580 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C(/C)C(=O)OC)C[C@@H](C)O1 ZINC000689103283 985800825 /nfs/dbraw/zinc/80/08/25/985800825.db2.gz REHPUPHPPLTKLW-CIYHXPSUSA-N 1 2 241.331 1.605 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)OC)C[C@@H](C)O1 ZINC000689103283 985800827 /nfs/dbraw/zinc/80/08/27/985800827.db2.gz REHPUPHPPLTKLW-CIYHXPSUSA-N 1 2 241.331 1.605 20 0 BDADLO CSC(C)(C)C[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258343629 985819335 /nfs/dbraw/zinc/81/93/35/985819335.db2.gz BWNGRGJOYNURGG-GUBZILKMSA-N 1 2 243.372 1.906 20 0 BDADLO CSC(C)(C)C[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258343629 985819337 /nfs/dbraw/zinc/81/93/37/985819337.db2.gz BWNGRGJOYNURGG-GUBZILKMSA-N 1 2 243.372 1.906 20 0 BDADLO COC(=O)CC[C@H](C)[NH2+][C@H](C(=O)OC)C(C)C ZINC001258348446 985826744 /nfs/dbraw/zinc/82/67/44/985826744.db2.gz LKOPPIOWKMNJIR-ONGXEEELSA-N 1 2 245.319 1.115 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH2+]C(C)(C)C(=O)OC ZINC001258473386 985938836 /nfs/dbraw/zinc/93/88/36/985938836.db2.gz LHJOBEBASPOTNR-VIFPVBQESA-N 1 2 245.319 1.259 20 0 BDADLO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001579495621 986024799 /nfs/dbraw/zinc/02/47/99/986024799.db2.gz AZRYGMMIQQIJGV-FSDSQADBSA-N 1 2 242.216 1.144 20 0 BDADLO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001579495621 986024811 /nfs/dbraw/zinc/02/48/11/986024811.db2.gz AZRYGMMIQQIJGV-FSDSQADBSA-N 1 2 242.216 1.144 20 0 BDADLO Cc1n[nH]c(NC(=O)[C@@](C)(C[NH3+])CC(C)C)n1 ZINC001579864570 986283314 /nfs/dbraw/zinc/28/33/14/986283314.db2.gz YESKYOWXGLTITL-LLVKDONJSA-N 1 2 239.323 1.063 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cnc(N)s2)[nH]1 ZINC001579896593 986314706 /nfs/dbraw/zinc/31/47/06/986314706.db2.gz FKXIOLFFEUZEDG-YFKPBYRVSA-N 1 2 238.320 1.003 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC001462478958 986401599 /nfs/dbraw/zinc/40/15/99/986401599.db2.gz KEAIYFKWLZMMJN-UHFFFAOYSA-N 1 2 243.270 1.683 20 0 BDADLO CCCNC(=S)N(CC)CCn1cc[nH+]c1 ZINC001244873407 986407480 /nfs/dbraw/zinc/40/74/80/986407480.db2.gz YJGGPBHJOBSUIX-UHFFFAOYSA-N 1 2 240.376 1.490 20 0 BDADLO CCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096550787 986447362 /nfs/dbraw/zinc/44/73/62/986447362.db2.gz VBCHJAVBCWPEKW-NSHDSACASA-N 1 2 248.330 1.502 20 0 BDADLO c1ccc([C@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)nc1 ZINC001254382878 986601983 /nfs/dbraw/zinc/60/19/83/986601983.db2.gz REPLVNYNAFPGTM-TZMCWYRMSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)nc1 ZINC001254382878 986601990 /nfs/dbraw/zinc/60/19/90/986601990.db2.gz REPLVNYNAFPGTM-TZMCWYRMSA-N 1 2 248.326 1.634 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC001464797227 986654124 /nfs/dbraw/zinc/65/41/24/986654124.db2.gz FUXWKNWIYSUYJY-LLVKDONJSA-N 1 2 246.314 1.387 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC001464797227 986654140 /nfs/dbraw/zinc/65/41/40/986654140.db2.gz FUXWKNWIYSUYJY-LLVKDONJSA-N 1 2 246.314 1.387 20 0 BDADLO Cc1c(CN2CCOCC2)[nH+]c2ccccn21 ZINC001137267381 986701509 /nfs/dbraw/zinc/70/15/09/986701509.db2.gz XYOHRENLNKEBBT-UHFFFAOYSA-N 1 2 231.299 1.475 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)[nH]1 ZINC001137332212 986796117 /nfs/dbraw/zinc/79/61/17/986796117.db2.gz LBUBEFLZUGNMGP-NWDGAFQWSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)[nH]1 ZINC001137332212 986796143 /nfs/dbraw/zinc/79/61/43/986796143.db2.gz LBUBEFLZUGNMGP-NWDGAFQWSA-N 1 2 206.289 1.605 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cn(C)nc2C)[nH]1 ZINC000392413299 986855278 /nfs/dbraw/zinc/85/52/78/986855278.db2.gz FCYFHHOKVNOEDP-QMMMGPOBSA-N 1 2 234.307 1.006 20 0 BDADLO O=C1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137397236 986875598 /nfs/dbraw/zinc/87/55/98/986875598.db2.gz DZRRPIWIAGTJPD-UHFFFAOYSA-N 1 2 229.283 1.728 20 0 BDADLO COC(=O)C1([NH2+][C@@H]2CCSC2)CCCCC1 ZINC001255268431 986881091 /nfs/dbraw/zinc/88/10/91/986881091.db2.gz IVXQEBZBCRTPFA-SNVBAGLBSA-N 1 2 243.372 1.957 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC(=O)CC2)ccn1 ZINC001137409724 986885563 /nfs/dbraw/zinc/88/55/63/986885563.db2.gz FQOJJVZOVMRQDZ-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1cc(C[N@H+]2CCCC(=O)CC2)ccn1 ZINC001137409724 986885566 /nfs/dbraw/zinc/88/55/66/986885566.db2.gz FQOJJVZOVMRQDZ-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO CC/C=C(\F)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468321351 986901235 /nfs/dbraw/zinc/90/12/35/986901235.db2.gz UJYIPHZDQNCPQU-SKKBLWCESA-N 1 2 244.285 1.504 20 0 BDADLO CC/C=C(\F)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468321351 986901244 /nfs/dbraw/zinc/90/12/44/986901244.db2.gz UJYIPHZDQNCPQU-SKKBLWCESA-N 1 2 244.285 1.504 20 0 BDADLO O=C(c1ccoc1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468317025 986905279 /nfs/dbraw/zinc/90/52/79/986905279.db2.gz VTHMQXWCIQTPBV-QWRGUYRKSA-N 1 2 238.262 1.148 20 0 BDADLO O=C(c1ccoc1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468317025 986905290 /nfs/dbraw/zinc/90/52/90/986905290.db2.gz VTHMQXWCIQTPBV-QWRGUYRKSA-N 1 2 238.262 1.148 20 0 BDADLO COCCCNC(=S)Nc1cc[nH+]cc1C ZINC001245567329 986906256 /nfs/dbraw/zinc/90/62/56/986906256.db2.gz MFYDAJXPVOQLOL-UHFFFAOYSA-N 1 2 239.344 1.135 20 0 BDADLO Cc1cc(-c2cccoc2=O)c[nH+]c1N ZINC001245540678 986906544 /nfs/dbraw/zinc/90/65/44/986906544.db2.gz XYLHCAARQHLRKV-UHFFFAOYSA-N 1 2 202.213 1.592 20 0 BDADLO Cc1cnc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245535307 986911444 /nfs/dbraw/zinc/91/14/44/986911444.db2.gz PCYAGEDIXPAQRI-UHFFFAOYSA-N 1 2 200.245 1.738 20 0 BDADLO Cc1cc(-c2cncc3nccn32)c[nH+]c1N ZINC001245537594 986918178 /nfs/dbraw/zinc/91/81/78/986918178.db2.gz RYGMOWHQFMHSDP-UHFFFAOYSA-N 1 2 225.255 1.682 20 0 BDADLO Cc1cc(-c2ccc3nnn(C)c3c2)c[nH+]c1N ZINC001245537275 986919266 /nfs/dbraw/zinc/91/92/66/986919266.db2.gz AKERUWUHXLKIFE-UHFFFAOYSA-N 1 2 239.282 1.921 20 0 BDADLO CNC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245537194 986921921 /nfs/dbraw/zinc/92/19/21/986921921.db2.gz ZYIWLIPXUOTVMV-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO COc1cc(OC)c(-c2ccc[nH+]c2N)cn1 ZINC001245611150 986994807 /nfs/dbraw/zinc/99/48/07/986994807.db2.gz HPCDUFVWGBHXRQ-UHFFFAOYSA-N 1 2 231.255 1.743 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H](C)COC)[C@@H](C)CC ZINC001255562659 987012856 /nfs/dbraw/zinc/01/28/56/987012856.db2.gz FDMOBVNUEHXPFL-HBNTYKKESA-N 1 2 231.336 1.589 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1ncnn1C ZINC001255639777 987036321 /nfs/dbraw/zinc/03/63/21/987036321.db2.gz ABFBHZYTVRSCBC-NXEZZACHSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@H](CC(F)(F)F)[N@@H+]1CCO[C@@H](CO)C1 ZINC001255646321 987042960 /nfs/dbraw/zinc/04/29/60/987042960.db2.gz NHSQGDOFNDVDBI-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](CC(F)(F)F)[N@H+]1CCO[C@@H](CO)C1 ZINC001255646321 987042971 /nfs/dbraw/zinc/04/29/71/987042971.db2.gz NHSQGDOFNDVDBI-HTQZYQBOSA-N 1 2 227.226 1.020 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H](C)n2cccc2)c[nH+]1 ZINC001472019043 987156894 /nfs/dbraw/zinc/15/68/94/987156894.db2.gz RUDSKWDLGXUYMA-SNVBAGLBSA-N 1 2 246.314 1.651 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H](C)n2cccc2)[nH+]1 ZINC001472019043 987156911 /nfs/dbraw/zinc/15/69/11/987156911.db2.gz RUDSKWDLGXUYMA-SNVBAGLBSA-N 1 2 246.314 1.651 20 0 BDADLO [NH3+]Cc1cc(=O)n(C2CCC(F)(F)CC2)[nH]1 ZINC001245922298 987164830 /nfs/dbraw/zinc/16/48/30/987164830.db2.gz BOXBGSCUTWMVEE-UHFFFAOYSA-N 1 2 231.246 1.798 20 0 BDADLO [NH3+]Cc1cc(=O)n([C@H]2CCCc3ccccc32)[nH]1 ZINC001245925631 987172976 /nfs/dbraw/zinc/17/29/76/987172976.db2.gz ZDGGHILUUHTNGI-ZDUSSCGKSA-N 1 2 243.310 1.973 20 0 BDADLO C[C@@H](n1[nH]c(C2C[NH2+]C2)cc1=O)C(F)(F)F ZINC001245926474 987183812 /nfs/dbraw/zinc/18/38/12/987183812.db2.gz BIRRWCXAXAAWFO-RXMQYKEDSA-N 1 2 235.209 1.399 20 0 BDADLO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)on1 ZINC001472581024 987250441 /nfs/dbraw/zinc/25/04/41/987250441.db2.gz IANLZKTYITYQFC-SNVBAGLBSA-N 1 2 249.314 1.292 20 0 BDADLO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)on1 ZINC001472581024 987250459 /nfs/dbraw/zinc/25/04/59/987250459.db2.gz IANLZKTYITYQFC-SNVBAGLBSA-N 1 2 249.314 1.292 20 0 BDADLO CC(C)CC(=O)OCCCn1cc[nH+]c1 ZINC000781987500 987297120 /nfs/dbraw/zinc/29/71/20/987297120.db2.gz IPGDZSCKHKSDOC-UHFFFAOYSA-N 1 2 210.277 1.863 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1CCO[C@H]1C1CC1 ZINC000699613015 987377727 /nfs/dbraw/zinc/37/77/27/987377727.db2.gz YAACKBBPAINEEU-NEPJUHHUSA-N 1 2 222.263 1.622 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1noc(C)n1 ZINC001473367720 987403649 /nfs/dbraw/zinc/40/36/49/987403649.db2.gz AOIVFYAXFMQYJG-WDEREUQCSA-N 1 2 239.319 1.988 20 0 BDADLO CC[C@H]([NH2+]CCOCCOC)c1noc(C)n1 ZINC001473368151 987406398 /nfs/dbraw/zinc/40/63/98/987406398.db2.gz KMYGJXYVHIQQGJ-JTQLQIEISA-N 1 2 243.307 1.082 20 0 BDADLO CC(C)N(CC(F)F)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001116309912 987515907 /nfs/dbraw/zinc/51/59/07/987515907.db2.gz YIMWSIRNNKSFAB-VIFPVBQESA-N 1 2 245.273 1.946 20 0 BDADLO Cc1cccnc1[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC001473879498 987600302 /nfs/dbraw/zinc/60/03/02/987600302.db2.gz JFMNYFOMFDXOOV-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)n(C)n1 ZINC001474159052 987652189 /nfs/dbraw/zinc/65/21/89/987652189.db2.gz FFNHIMAXKRGACM-UHFFFAOYSA-N 1 2 248.334 1.260 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116639562 987654398 /nfs/dbraw/zinc/65/43/98/987654398.db2.gz NOCWPGJJYHTLKI-JQWIXIFHSA-N 1 2 239.319 1.111 20 0 BDADLO Cc1c(NCc2cc(C)[nH+]c(C)c2)nnn1C ZINC001474253370 987667596 /nfs/dbraw/zinc/66/75/96/987667596.db2.gz PMOFNTXVZHHMEN-UHFFFAOYSA-N 1 2 231.303 1.747 20 0 BDADLO COC(=O)C1C[NH+](C/C=C/c2cccc(F)c2)C1 ZINC001474747362 987815777 /nfs/dbraw/zinc/81/57/77/987815777.db2.gz AMSMISLWHLTWMX-HWKANZROSA-N 1 2 249.285 1.944 20 0 BDADLO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1noc(C)n1 ZINC001118098858 988023310 /nfs/dbraw/zinc/02/33/10/988023310.db2.gz BNCNQTKMXIFKCC-CNUIFLNQSA-N 1 2 227.333 1.923 20 0 BDADLO Cc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)nc1 ZINC001118284527 988192006 /nfs/dbraw/zinc/19/20/06/988192006.db2.gz NMZDHCOMPDHHLV-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2cscn2)o1 ZINC001322339748 988214304 /nfs/dbraw/zinc/21/43/04/988214304.db2.gz LWKFANMBLJJVMA-UHFFFAOYSA-N 1 2 238.316 1.373 20 0 BDADLO O=C(NC/C=C/C[NH2+]Cc1ccon1)C1CCC1 ZINC001497508985 988383073 /nfs/dbraw/zinc/38/30/73/988383073.db2.gz BMFPPRJPMRRSGX-OWOJBTEDSA-N 1 2 249.314 1.237 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2ccoc2)o1 ZINC001323090426 988451251 /nfs/dbraw/zinc/45/12/51/988451251.db2.gz FOGPDVLOSIDZID-UHFFFAOYSA-N 1 2 207.233 1.315 20 0 BDADLO O=C(CCCF)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001323287402 988488817 /nfs/dbraw/zinc/48/88/17/988488817.db2.gz PVMDKPPOKYNZDI-FWYAXHSGSA-N 1 2 248.729 1.679 20 0 BDADLO O=C(CCCF)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001323287402 988488823 /nfs/dbraw/zinc/48/88/23/988488823.db2.gz PVMDKPPOKYNZDI-FWYAXHSGSA-N 1 2 248.729 1.679 20 0 BDADLO CCCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001118649760 988489425 /nfs/dbraw/zinc/48/94/25/988489425.db2.gz LYXNGEHOHDGATK-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO O=C(CC1CC1)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001498911817 988509825 /nfs/dbraw/zinc/50/98/25/988509825.db2.gz FHGMAXHMBSBXPQ-ORSQJBAVSA-N 1 2 242.750 1.730 20 0 BDADLO O=C(CC1CC1)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001498911817 988509839 /nfs/dbraw/zinc/50/98/39/988509839.db2.gz FHGMAXHMBSBXPQ-ORSQJBAVSA-N 1 2 242.750 1.730 20 0 BDADLO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CC[C@]3([NH3+])C1)C2 ZINC001246856305 988576341 /nfs/dbraw/zinc/57/63/41/988576341.db2.gz WTQBASGZKWHPEG-AHDPXTMNSA-N 1 2 249.402 1.425 20 0 BDADLO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CC[C@]3([NH3+])C1)C2 ZINC001246856305 988576352 /nfs/dbraw/zinc/57/63/52/988576352.db2.gz WTQBASGZKWHPEG-AHDPXTMNSA-N 1 2 249.402 1.425 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001323734380 988600798 /nfs/dbraw/zinc/60/07/98/988600798.db2.gz DHJSFHVCEDDRMN-NEPJUHHUSA-N 1 2 235.331 1.949 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001501774179 988620577 /nfs/dbraw/zinc/62/05/77/988620577.db2.gz ZANDLAYDSCCPIG-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001501774179 988620586 /nfs/dbraw/zinc/62/05/86/988620586.db2.gz ZANDLAYDSCCPIG-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](C(=O)NCCCc1ccco1)n1cc[nH+]c1 ZINC001118833339 988631974 /nfs/dbraw/zinc/63/19/74/988631974.db2.gz OUYRQJAQOYRMJF-NSHDSACASA-N 1 2 247.298 1.786 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2CCn3c[nH+]cc32)[nH]1 ZINC001118849483 988649112 /nfs/dbraw/zinc/64/91/12/988649112.db2.gz ULLXCGNHUHPJIY-SNVBAGLBSA-N 1 2 244.298 1.703 20 0 BDADLO COC[C@@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118941642 988726344 /nfs/dbraw/zinc/72/63/44/988726344.db2.gz IRPYTDWWTWYKDH-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO O[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC12CC2 ZINC001119248489 988862212 /nfs/dbraw/zinc/86/22/12/988862212.db2.gz KBOURHHKRWFTTH-NSHDSACASA-N 1 2 234.299 1.509 20 0 BDADLO O[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC12CC2 ZINC001119248489 988862216 /nfs/dbraw/zinc/86/22/16/988862216.db2.gz KBOURHHKRWFTTH-NSHDSACASA-N 1 2 234.299 1.509 20 0 BDADLO COc1ccc(-c2noc([C@H]([NH3+])CO)n2)c(C)c1 ZINC001247491663 988896071 /nfs/dbraw/zinc/89/60/71/988896071.db2.gz RIEICFWDDSDTMF-SNVBAGLBSA-N 1 2 249.270 1.046 20 0 BDADLO [NH3+][C@H](CO)c1nc(-c2ncccc2C2CC2)no1 ZINC001247492264 988900382 /nfs/dbraw/zinc/90/03/82/988900382.db2.gz BHCBOQNWAFWNLD-SECBINFHSA-N 1 2 246.270 1.001 20 0 BDADLO C[C@H](C(=O)N1CCOC2(CCC2)C1)n1cc[nH+]c1 ZINC001324642186 988904730 /nfs/dbraw/zinc/90/47/30/988904730.db2.gz MOHPKNHYHIOIHO-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO CC(C)(C)[S@](C)(=O)=NC(=O)Cn1cc[nH+]c1 ZINC001514606080 988913813 /nfs/dbraw/zinc/91/38/13/988913813.db2.gz WINFWPMBFOYMLA-INIZCTEOSA-N 1 2 243.332 1.306 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@@H](O)C2CC2)CCCC1 ZINC001324747607 988959076 /nfs/dbraw/zinc/95/90/76/988959076.db2.gz SICPWAGTKAFTOA-LLVKDONJSA-N 1 2 241.331 1.223 20 0 BDADLO CCC[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)OC ZINC001324744848 988964306 /nfs/dbraw/zinc/96/43/06/988964306.db2.gz COQZXHGQOXFMOC-MNOVXSKESA-N 1 2 239.319 1.375 20 0 BDADLO Cn1ncc2c1CCC[C@H]2Nc1cc(N)nc[nH+]1 ZINC001515351680 989031756 /nfs/dbraw/zinc/03/17/56/989031756.db2.gz PJFAAUFALUVUPQ-SECBINFHSA-N 1 2 244.302 1.282 20 0 BDADLO OCC12CCC(CC1)N2c1cccc[nH+]1 ZINC000722995924 989065242 /nfs/dbraw/zinc/06/52/42/989065242.db2.gz PSWWLUZRAVQPAB-UHFFFAOYSA-N 1 2 204.273 1.575 20 0 BDADLO Cc1[nH]c(CNC(=O)C2(CF)CCC2)[nH+]c1C ZINC001119455790 989085961 /nfs/dbraw/zinc/08/59/61/989085961.db2.gz DGKNKUORLOTBIY-UHFFFAOYSA-N 1 2 239.294 1.783 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](C)C(O)[C@H](C)C2)[nH+]1 ZINC001515889959 989126866 /nfs/dbraw/zinc/12/68/66/989126866.db2.gz AIYFSXMFVLGUFP-RKDXNWHRSA-N 1 2 238.306 1.982 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001248856691 989199545 /nfs/dbraw/zinc/19/95/45/989199545.db2.gz NQZKWACCHYETOT-SECBINFHSA-N 1 2 249.236 1.947 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001248856691 989199548 /nfs/dbraw/zinc/19/95/48/989199548.db2.gz NQZKWACCHYETOT-SECBINFHSA-N 1 2 249.236 1.947 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC001248933069 989220120 /nfs/dbraw/zinc/22/01/20/989220120.db2.gz NFGIEZMLPBWJPX-JTQLQIEISA-N 1 2 235.331 1.562 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC001248933069 989220136 /nfs/dbraw/zinc/22/01/36/989220136.db2.gz NFGIEZMLPBWJPX-JTQLQIEISA-N 1 2 235.331 1.562 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001248940295 989228320 /nfs/dbraw/zinc/22/83/20/989228320.db2.gz UYFGGHKLSKPTPD-OLZOCXBDSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001248940295 989228328 /nfs/dbraw/zinc/22/83/28/989228328.db2.gz UYFGGHKLSKPTPD-OLZOCXBDSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cnnn1C ZINC001119637157 989275229 /nfs/dbraw/zinc/27/52/29/989275229.db2.gz YJEGHDKGGJCHKR-GUBZILKMSA-N 1 2 246.318 1.368 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cnnn1C ZINC001119637159 989275803 /nfs/dbraw/zinc/27/58/03/989275803.db2.gz YJEGHDKGGJCHKR-LPEHRKFASA-N 1 2 246.318 1.368 20 0 BDADLO O=C(C1CC1)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000534336031 989295424 /nfs/dbraw/zinc/29/54/24/989295424.db2.gz TZUGBCSRYXYPCJ-UHFFFAOYSA-N 1 2 233.315 1.069 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cncn1C ZINC001518366798 989296954 /nfs/dbraw/zinc/29/69/54/989296954.db2.gz UUMDZDPSXYAEOZ-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO Cn1cnc(Nc2cc[nH+]cc2C(F)(F)F)n1 ZINC001249583708 989316779 /nfs/dbraw/zinc/31/67/79/989316779.db2.gz LLEWICVSJBOOAO-UHFFFAOYSA-N 1 2 243.192 1.394 20 0 BDADLO CCN(CC)C(=O)CCc1[nH+]ccn1C ZINC001518740997 989334258 /nfs/dbraw/zinc/33/42/58/989334258.db2.gz CJCOCBZIVJNSLX-UHFFFAOYSA-N 1 2 209.293 1.221 20 0 BDADLO Cc1occc1CNC(=O)CCc1[nH+]ccn1C ZINC001519023020 989371608 /nfs/dbraw/zinc/37/16/08/989371608.db2.gz ZPQUUAVBNSASHP-UHFFFAOYSA-N 1 2 247.298 1.571 20 0 BDADLO Cc1conc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001519583329 989436064 /nfs/dbraw/zinc/43/60/64/989436064.db2.gz GAHDFYHPFPENME-UHFFFAOYSA-N 1 2 249.270 1.772 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC001119969564 989522392 /nfs/dbraw/zinc/52/23/92/989522392.db2.gz VDRFXSRZCDKNRS-AOOOYVTPSA-N 1 2 236.319 1.522 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC001119969564 989522403 /nfs/dbraw/zinc/52/24/03/989522403.db2.gz VDRFXSRZCDKNRS-AOOOYVTPSA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(N(C)CC2CC2)nc[nH+]1 ZINC001120014268 989562995 /nfs/dbraw/zinc/56/29/95/989562995.db2.gz ONHVTEIBVWSWFJ-UHFFFAOYSA-N 1 2 206.293 1.389 20 0 BDADLO CN(C)c1cc(N(C)CC2CC2)[nH+]cn1 ZINC001120014268 989563001 /nfs/dbraw/zinc/56/30/01/989563001.db2.gz ONHVTEIBVWSWFJ-UHFFFAOYSA-N 1 2 206.293 1.389 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C)[nH]n2)C[C@@H]1C ZINC001326450690 989562931 /nfs/dbraw/zinc/56/29/31/989562931.db2.gz AZZQHPFMPSKTOY-JOYOIKCWSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C)[nH]n2)C[C@@H]1C ZINC001326450690 989562939 /nfs/dbraw/zinc/56/29/39/989562939.db2.gz AZZQHPFMPSKTOY-JOYOIKCWSA-N 1 2 223.320 1.575 20 0 BDADLO CN(C)c1cc(NC[C@]2(C)CCCO2)[nH+]cn1 ZINC001120023715 989568326 /nfs/dbraw/zinc/56/83/26/989568326.db2.gz CDMWQUUKXYVHEK-LBPRGKRZSA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(NC[C@]2(C)CCCO2)nc[nH+]1 ZINC001120023715 989568330 /nfs/dbraw/zinc/56/83/30/989568330.db2.gz CDMWQUUKXYVHEK-LBPRGKRZSA-N 1 2 236.319 1.524 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)CCCC1CC1 ZINC001520632522 989583070 /nfs/dbraw/zinc/58/30/70/989583070.db2.gz MVUZMAOLVXWBCX-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@@]1([NH2+]Cc2ncc(Cl)s2)CCNC1=O ZINC001120072035 989587635 /nfs/dbraw/zinc/58/76/35/989587635.db2.gz FCJDYRSSKWWQPU-SECBINFHSA-N 1 2 245.735 1.165 20 0 BDADLO CCCN(CC)C(=O)CCc1[nH+]ccn1C ZINC001520781630 989601950 /nfs/dbraw/zinc/60/19/50/989601950.db2.gz ZUORFYQHBFEOBA-UHFFFAOYSA-N 1 2 223.320 1.611 20 0 BDADLO C[NH+](C)Cc1nnc(C[C@@H]2CCCOC2)o1 ZINC001326551291 989605299 /nfs/dbraw/zinc/60/52/99/989605299.db2.gz BWQYCLAZSOIUMK-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO C=C=CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC001520982193 989627960 /nfs/dbraw/zinc/62/79/60/989627960.db2.gz VGCMQAMJGFQSMV-UHFFFAOYSA-N 1 2 231.299 1.839 20 0 BDADLO CCCN(CCO)c1ccc(CC)c[nH+]1 ZINC001120898693 989955176 /nfs/dbraw/zinc/95/51/76/989955176.db2.gz FFQCVZQGUOOONY-UHFFFAOYSA-N 1 2 208.305 1.853 20 0 BDADLO CS[C@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC001524815853 990015913 /nfs/dbraw/zinc/01/59/13/990015913.db2.gz BHRAAHHTNVFRGP-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C(F)F ZINC001121231423 990053169 /nfs/dbraw/zinc/05/31/69/990053169.db2.gz NAJXHJLXPIIOKR-UHFFFAOYSA-N 1 2 200.188 1.324 20 0 BDADLO CCOC1CC(C(=O)Nc2c(C)c[nH+]cc2C)C1 ZINC001121230640 990053854 /nfs/dbraw/zinc/05/38/54/990053854.db2.gz ARRWRAQLAWEEAD-UHFFFAOYSA-N 1 2 248.326 1.874 20 0 BDADLO Cn1cc(C(=O)OCC(C)(C)n2cc[nH+]c2)cn1 ZINC001526099151 990114550 /nfs/dbraw/zinc/11/45/50/990114550.db2.gz IGAGABCUWOJINX-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC(C(F)F)C1 ZINC001528031189 990258074 /nfs/dbraw/zinc/25/80/74/990258074.db2.gz VODWMEZAOIMFFR-UHFFFAOYSA-N 1 2 243.257 1.076 20 0 BDADLO C[NH+](C)Cc1nc(CNC(=O)[C@H]2CC23CC3)co1 ZINC001529119903 990333959 /nfs/dbraw/zinc/33/39/59/990333959.db2.gz RUIBQCDHIRKYDK-SNVBAGLBSA-N 1 2 249.314 1.153 20 0 BDADLO C/C=C\C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001529203636 990338415 /nfs/dbraw/zinc/33/84/15/990338415.db2.gz LRZMMEMAXLODLE-IHWYPQMZSA-N 1 2 233.315 1.767 20 0 BDADLO C/C(=C\C(=O)NCc1c[nH+]cn1C)c1ccco1 ZINC001532593112 990413956 /nfs/dbraw/zinc/41/39/56/990413956.db2.gz RWMBYFSDILPCQG-UXBLZVDNSA-N 1 2 245.282 1.733 20 0 BDADLO Cc1cnc(C(=O)OCc2c[nH+]cn2C)c(C)c1 ZINC001122640347 990428280 /nfs/dbraw/zinc/42/82/80/990428280.db2.gz WQLWWYYECWNJMO-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO COCCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123054303 990498428 /nfs/dbraw/zinc/49/84/28/990498428.db2.gz BZTBFRGKQOPRQX-UHFFFAOYSA-N 1 2 240.303 1.588 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccnn1CC ZINC001123377329 990569606 /nfs/dbraw/zinc/56/96/06/990569606.db2.gz YSHJOEGBZZIEQW-UHFFFAOYSA-N 1 2 248.286 1.476 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1ccnn1C ZINC001540222604 990594582 /nfs/dbraw/zinc/59/45/82/990594582.db2.gz GQZYTCGYDDBZPX-UHFFFAOYSA-N 1 2 247.302 1.060 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001123565645 990615585 /nfs/dbraw/zinc/61/55/85/990615585.db2.gz ZFYZLBGGMVJKTN-LLVKDONJSA-N 1 2 237.347 1.857 20 0 BDADLO CN(C)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001540643917 990631257 /nfs/dbraw/zinc/63/12/57/990631257.db2.gz LXTCMEXEOFNFSC-UHFFFAOYSA-N 1 2 241.294 1.949 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)CCc1[nH+]ccn1C ZINC001123837638 990680478 /nfs/dbraw/zinc/68/04/78/990680478.db2.gz LDUMXQMBOZYDPK-NSHDSACASA-N 1 2 249.358 1.857 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCCC(C)(F)F ZINC001123892831 990694760 /nfs/dbraw/zinc/69/47/60/990694760.db2.gz BGWFXIDPOCSCHP-UHFFFAOYSA-N 1 2 245.273 1.514 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC001543544373 990695659 /nfs/dbraw/zinc/69/56/59/990695659.db2.gz BYZDFKMDYOSPEO-WCQYABFASA-N 1 2 248.326 1.692 20 0 BDADLO C[C@H](NC(=O)CCc1[nH+]ccn1C)C1(C)CC1 ZINC001123985015 990725628 /nfs/dbraw/zinc/72/56/28/990725628.db2.gz CEUDQBVWQQJVJN-JTQLQIEISA-N 1 2 235.331 1.658 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)C1(C)CCC1 ZINC001124010186 990733174 /nfs/dbraw/zinc/73/31/74/990733174.db2.gz FRPZOYMIKJIWGV-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001556273089 990815574 /nfs/dbraw/zinc/81/55/74/990815574.db2.gz LLJBMRMLCAGREX-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(F)(F)F ZINC001556259397 990815600 /nfs/dbraw/zinc/81/56/00/990815600.db2.gz XRUQKGNLVPPKEY-SFYZADRCSA-N 1 2 249.236 1.901 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc2nonc21 ZINC001556554875 990831901 /nfs/dbraw/zinc/83/19/01/990831901.db2.gz QRQMAWZPHZBDDU-JTQLQIEISA-N 1 2 246.270 1.256 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cccc2nonc21 ZINC001556554875 990831905 /nfs/dbraw/zinc/83/19/05/990831905.db2.gz QRQMAWZPHZBDDU-JTQLQIEISA-N 1 2 246.270 1.256 20 0 BDADLO CC[C@](C)(CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001556693758 990844581 /nfs/dbraw/zinc/84/45/81/990844581.db2.gz CGILRLSUCHVGGW-GFCCVEGCSA-N 1 2 239.319 1.192 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cnc2ccccn12 ZINC001557397074 990888178 /nfs/dbraw/zinc/88/81/78/990888178.db2.gz XSKVIKNLDCQHBM-SNVBAGLBSA-N 1 2 244.298 1.367 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cnc2ccccn12 ZINC001557397074 990888180 /nfs/dbraw/zinc/88/81/80/990888180.db2.gz XSKVIKNLDCQHBM-SNVBAGLBSA-N 1 2 244.298 1.367 20 0 BDADLO CCOc1cccc(NC(=O)[C@H]2CC[N@@H+]2CC)n1 ZINC001557502491 990893128 /nfs/dbraw/zinc/89/31/28/990893128.db2.gz OCUFOVDDLSCCQY-SNVBAGLBSA-N 1 2 249.314 1.513 20 0 BDADLO CCOc1cccc(NC(=O)[C@H]2CC[N@H+]2CC)n1 ZINC001557502491 990893130 /nfs/dbraw/zinc/89/31/30/990893130.db2.gz OCUFOVDDLSCCQY-SNVBAGLBSA-N 1 2 249.314 1.513 20 0 BDADLO O=C1CC[N@H+](Cc2ncccc2O)CC[C@@H]1F ZINC001138391751 990930230 /nfs/dbraw/zinc/93/02/30/990930230.db2.gz VUIHRIJEIXVNQT-VIFPVBQESA-N 1 2 238.262 1.290 20 0 BDADLO O=C1CC[N@@H+](Cc2ncccc2O)CC[C@@H]1F ZINC001138391751 990930235 /nfs/dbraw/zinc/93/02/35/990930235.db2.gz VUIHRIJEIXVNQT-VIFPVBQESA-N 1 2 238.262 1.290 20 0 BDADLO CN(C)c1ccc(C[NH+]2CC(C)(O)C2)s1 ZINC001138489570 990960399 /nfs/dbraw/zinc/96/03/99/990960399.db2.gz MVIGZAIKDLGTFY-UHFFFAOYSA-N 1 2 226.345 1.381 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)NC[C@H]2C)c(C)s1 ZINC001138570756 990974518 /nfs/dbraw/zinc/97/45/18/990974518.db2.gz JMOZMGADYNILTG-MRVPVSSYSA-N 1 2 238.356 1.685 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)NC[C@H]2C)c(C)s1 ZINC001138570756 990974525 /nfs/dbraw/zinc/97/45/25/990974525.db2.gz JMOZMGADYNILTG-MRVPVSSYSA-N 1 2 238.356 1.685 20 0 BDADLO CCc1cccc(NC(=O)[C@H]2CC[N@H+]2CC)c1O ZINC001558635811 990976454 /nfs/dbraw/zinc/97/64/54/990976454.db2.gz RCYJUBAIURNKJE-GFCCVEGCSA-N 1 2 248.326 1.987 20 0 BDADLO CCc1cccc(NC(=O)[C@H]2CC[N@@H+]2CC)c1O ZINC001558635811 990976458 /nfs/dbraw/zinc/97/64/58/990976458.db2.gz RCYJUBAIURNKJE-GFCCVEGCSA-N 1 2 248.326 1.987 20 0 BDADLO CCCn1cncc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC001308432853 990992692 /nfs/dbraw/zinc/99/26/92/990992692.db2.gz ATQTVAWTHRZFAB-LLVKDONJSA-N 1 2 247.346 1.877 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001138694973 991007186 /nfs/dbraw/zinc/00/71/86/991007186.db2.gz PYNVOQUDJDYXGL-ZDUSSCGKSA-N 1 2 247.342 1.734 20 0 BDADLO CNc1ncccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001138694973 991007193 /nfs/dbraw/zinc/00/71/93/991007193.db2.gz PYNVOQUDJDYXGL-ZDUSSCGKSA-N 1 2 247.342 1.734 20 0 BDADLO COCC1C[NH+](Cc2cnc(SC)nc2)C1 ZINC001138700824 991012511 /nfs/dbraw/zinc/01/25/11/991012511.db2.gz PWNMNFZEJWDDDV-UHFFFAOYSA-N 1 2 239.344 1.277 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001258151683 991031748 /nfs/dbraw/zinc/03/17/48/991031748.db2.gz KZZMWMIXHRRPQI-NHCYSSNCSA-N 1 2 243.347 1.325 20 0 BDADLO COCc1cc(C[N@@H+]2CCCOC[C@@H]2C)no1 ZINC001308574658 991049628 /nfs/dbraw/zinc/04/96/28/991049628.db2.gz XOVHWFWNAUHGQZ-JTQLQIEISA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@H+]2CCCOC[C@@H]2C)no1 ZINC001308574658 991049639 /nfs/dbraw/zinc/04/96/39/991049639.db2.gz XOVHWFWNAUHGQZ-JTQLQIEISA-N 1 2 240.303 1.432 20 0 BDADLO c1cc2cccc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2n1 ZINC001138804712 991062280 /nfs/dbraw/zinc/06/22/80/991062280.db2.gz SUQMOOKGZVFTKY-OKILXGFUSA-N 1 2 243.310 1.698 20 0 BDADLO c1cc2cccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2n1 ZINC001138804712 991062287 /nfs/dbraw/zinc/06/22/87/991062287.db2.gz SUQMOOKGZVFTKY-OKILXGFUSA-N 1 2 243.310 1.698 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CC[C@H]1C ZINC001138851478 991085793 /nfs/dbraw/zinc/08/57/93/991085793.db2.gz RHLULLLYDBKRDM-MRVPVSSYSA-N 1 2 223.276 1.181 20 0 BDADLO CCOC(=O)c1n[nH]cc1C[N@H+]1CC[C@H]1C ZINC001138851478 991085797 /nfs/dbraw/zinc/08/57/97/991085797.db2.gz RHLULLLYDBKRDM-MRVPVSSYSA-N 1 2 223.276 1.181 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001138936554 991106300 /nfs/dbraw/zinc/10/63/00/991106300.db2.gz LTURLXUDCXPKEQ-NEPJUHHUSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001138936554 991106304 /nfs/dbraw/zinc/10/63/04/991106304.db2.gz LTURLXUDCXPKEQ-NEPJUHHUSA-N 1 2 235.331 1.719 20 0 BDADLO CCc1cn(CC(=O)N2CCCCCC2)c[nH+]1 ZINC001559466273 991112833 /nfs/dbraw/zinc/11/28/33/991112833.db2.gz PXZFMSUQYIKAAF-UHFFFAOYSA-N 1 2 235.331 1.848 20 0 BDADLO CCCCOC(=O)Cn1c[nH+]c(CC)c1 ZINC001559466499 991113659 /nfs/dbraw/zinc/11/36/59/991113659.db2.gz WOPJWQLVJYVQOR-UHFFFAOYSA-N 1 2 210.277 1.789 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001139094412 991142972 /nfs/dbraw/zinc/14/29/72/991142972.db2.gz HBIWTKUKAHZAIJ-QMMMGPOBSA-N 1 2 221.304 1.437 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001139094412 991142975 /nfs/dbraw/zinc/14/29/75/991142975.db2.gz HBIWTKUKAHZAIJ-QMMMGPOBSA-N 1 2 221.304 1.437 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccno1 ZINC001139100698 991146864 /nfs/dbraw/zinc/14/68/64/991146864.db2.gz VAUXGKRVYNRDRJ-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccno1 ZINC001139100698 991146870 /nfs/dbraw/zinc/14/68/70/991146870.db2.gz VAUXGKRVYNRDRJ-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Nc1c(Cl)cccc1C[NH2+]Cc1ncc[nH]1 ZINC001308889463 991200224 /nfs/dbraw/zinc/20/02/24/991200224.db2.gz KMGHYAVQFICLIJ-UHFFFAOYSA-N 1 2 236.706 1.935 20 0 BDADLO CC1([NH2+]Cc2cn(C3CC3)cn2)COC1 ZINC001308897281 991205371 /nfs/dbraw/zinc/20/53/71/991205371.db2.gz ICWORDZPOSBHGO-UHFFFAOYSA-N 1 2 207.277 1.097 20 0 BDADLO CCC1(C[NH+]2CC(F)(C3CC3)C2)COC1 ZINC001202912872 991211183 /nfs/dbraw/zinc/21/11/83/991211183.db2.gz XEVWNQFUKXTWQC-UHFFFAOYSA-N 1 2 213.296 1.847 20 0 BDADLO CC1CC[NH+](Cc2c(N)ncnc2Cl)CC1 ZINC001139435358 991239298 /nfs/dbraw/zinc/23/92/98/991239298.db2.gz LCZULNOAFBEDMY-UHFFFAOYSA-N 1 2 240.738 1.944 20 0 BDADLO CC[N@H+](C)Cc1c(N)ncnc1Cl ZINC001139436355 991239753 /nfs/dbraw/zinc/23/97/53/991239753.db2.gz WZHMBRRTTKFQHI-UHFFFAOYSA-N 1 2 200.673 1.164 20 0 BDADLO CC[N@@H+](C)Cc1c(N)ncnc1Cl ZINC001139436355 991239764 /nfs/dbraw/zinc/23/97/64/991239764.db2.gz WZHMBRRTTKFQHI-UHFFFAOYSA-N 1 2 200.673 1.164 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)CCC(=O)OC)C(=O)OC ZINC001258360956 991301955 /nfs/dbraw/zinc/30/19/55/991301955.db2.gz QQGINZGKPQURTJ-UWVGGRQHSA-N 1 2 245.319 1.259 20 0 BDADLO C[C@@H]1CC[N@@H+]1Cc1cn2ccncc2n1 ZINC001139694217 991315928 /nfs/dbraw/zinc/31/59/28/991315928.db2.gz GLIIQCPKSOLLBZ-SECBINFHSA-N 1 2 202.261 1.324 20 0 BDADLO C[C@@H]1CC[N@H+]1Cc1cn2ccncc2n1 ZINC001139694217 991315937 /nfs/dbraw/zinc/31/59/37/991315937.db2.gz GLIIQCPKSOLLBZ-SECBINFHSA-N 1 2 202.261 1.324 20 0 BDADLO CC(C)CONC(=O)NCc1ccc[nH+]c1N ZINC001312354501 991351272 /nfs/dbraw/zinc/35/12/72/991351272.db2.gz YZHYMCURCZGDOF-UHFFFAOYSA-N 1 2 238.291 1.051 20 0 BDADLO C[C@H](O)[C@H](C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078832 991371122 /nfs/dbraw/zinc/37/11/22/991371122.db2.gz FTSZXQZUVQUQHL-RYUDHWBXSA-N 1 2 248.326 1.105 20 0 BDADLO C[C@H](O)[C@H](C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001560078832 991371132 /nfs/dbraw/zinc/37/11/32/991371132.db2.gz FTSZXQZUVQUQHL-RYUDHWBXSA-N 1 2 248.326 1.105 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)s1 ZINC001139814582 991379837 /nfs/dbraw/zinc/37/98/37/991379837.db2.gz JOIISYOSNXTZTG-IUCAKERBSA-N 1 2 246.307 1.056 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)s1 ZINC001139814582 991379844 /nfs/dbraw/zinc/37/98/44/991379844.db2.gz JOIISYOSNXTZTG-IUCAKERBSA-N 1 2 246.307 1.056 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NCCC1CCC1 ZINC001313231053 991381867 /nfs/dbraw/zinc/38/18/67/991381867.db2.gz DXLDXAMNFHGWQZ-UHFFFAOYSA-N 1 2 248.330 1.653 20 0 BDADLO CCn1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC001328393050 991385369 /nfs/dbraw/zinc/38/53/69/991385369.db2.gz KTRZSKMUYGNXDO-VIFPVBQESA-N 1 2 233.275 1.299 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H](C)CC1CC1)[C@@H](C)O ZINC001258451093 991399723 /nfs/dbraw/zinc/39/97/23/991399723.db2.gz GEAQHQHJUQRSAN-IQJOONFLSA-N 1 2 229.320 1.077 20 0 BDADLO Cn1ncc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)ccc21 ZINC001139957454 991430064 /nfs/dbraw/zinc/43/00/64/991430064.db2.gz KIPXAIGMRKPKPF-UONOGXRCSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1ncc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]43)ccc21 ZINC001139957454 991430068 /nfs/dbraw/zinc/43/00/68/991430068.db2.gz KIPXAIGMRKPKPF-UONOGXRCSA-N 1 2 243.310 1.546 20 0 BDADLO C[C@@H](CC1CC1)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258467529 991430256 /nfs/dbraw/zinc/43/02/56/991430256.db2.gz HWYPOGBOOKATRR-WCBMZHEXSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H](CC1CC1)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258467529 991430261 /nfs/dbraw/zinc/43/02/61/991430261.db2.gz HWYPOGBOOKATRR-WCBMZHEXSA-N 1 2 219.275 1.877 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1cccnn1 ZINC001139970321 991440120 /nfs/dbraw/zinc/44/01/20/991440120.db2.gz SIZRWNSXXILEJD-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1cccnn1 ZINC001139970321 991440128 /nfs/dbraw/zinc/44/01/28/991440128.db2.gz SIZRWNSXXILEJD-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cccnn1 ZINC001139972747 991443947 /nfs/dbraw/zinc/44/39/47/991443947.db2.gz ZZPXWMXDVHFYPP-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cccnn1 ZINC001139972747 991443953 /nfs/dbraw/zinc/44/39/53/991443953.db2.gz ZZPXWMXDVHFYPP-GFCCVEGCSA-N 1 2 221.304 1.333 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139988377 991469309 /nfs/dbraw/zinc/46/93/09/991469309.db2.gz VNCFORGRLOCFBR-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cnc(Cl)nc1 ZINC001139988377 991469317 /nfs/dbraw/zinc/46/93/17/991469317.db2.gz VNCFORGRLOCFBR-SCZZXKLOSA-N 1 2 241.722 1.475 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139993193 991473682 /nfs/dbraw/zinc/47/36/82/991473682.db2.gz FGNFDCZNXORJML-SNVBAGLBSA-N 1 2 239.706 1.541 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139993193 991473689 /nfs/dbraw/zinc/47/36/89/991473689.db2.gz FGNFDCZNXORJML-SNVBAGLBSA-N 1 2 239.706 1.541 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccnc(SC)n1 ZINC001140039518 991494783 /nfs/dbraw/zinc/49/47/83/991494783.db2.gz BFWATYTVEYVSFO-SNVBAGLBSA-N 1 2 239.344 1.419 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccnc(SC)n1 ZINC001140039518 991494787 /nfs/dbraw/zinc/49/47/87/991494787.db2.gz BFWATYTVEYVSFO-SNVBAGLBSA-N 1 2 239.344 1.419 20 0 BDADLO CN(CC[N@H+](C)C1COC1)C(=O)OC(C)(C)C ZINC001202996766 991503609 /nfs/dbraw/zinc/50/36/09/991503609.db2.gz CLRSBSQUBRCUBO-UHFFFAOYSA-N 1 2 244.335 1.184 20 0 BDADLO CN(CC[N@@H+](C)C1COC1)C(=O)OC(C)(C)C ZINC001202996766 991503615 /nfs/dbraw/zinc/50/36/15/991503615.db2.gz CLRSBSQUBRCUBO-UHFFFAOYSA-N 1 2 244.335 1.184 20 0 BDADLO Oc1ccc(F)c(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001140051164 991504794 /nfs/dbraw/zinc/50/47/94/991504794.db2.gz UQUGMDSOCYAHEA-UHFFFAOYSA-N 1 2 237.274 1.488 20 0 BDADLO CC[C@@]1(NC(=O)CCc2[nH]cc[nH+]2)CCOC1 ZINC001140058596 991507198 /nfs/dbraw/zinc/50/71/98/991507198.db2.gz SUGBURYEOBMHIU-GFCCVEGCSA-N 1 2 237.303 1.028 20 0 BDADLO COc1ccc2n[nH]c(C[N@H+](C)CCF)c2c1 ZINC001140071435 991512448 /nfs/dbraw/zinc/51/24/48/991512448.db2.gz KQZKTEGVFHIVEH-UHFFFAOYSA-N 1 2 237.278 1.973 20 0 BDADLO COc1ccc2n[nH]c(C[N@@H+](C)CCF)c2c1 ZINC001140071435 991512461 /nfs/dbraw/zinc/51/24/61/991512461.db2.gz KQZKTEGVFHIVEH-UHFFFAOYSA-N 1 2 237.278 1.973 20 0 BDADLO OCC1C[NH+](Cc2ccc(O)cc2Cl)C1 ZINC001140084615 991517996 /nfs/dbraw/zinc/51/79/96/991517996.db2.gz ATZCRQGATQWSBO-UHFFFAOYSA-N 1 2 227.691 1.470 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cnccn1 ZINC001560617567 991521036 /nfs/dbraw/zinc/52/10/36/991521036.db2.gz AJEFNWIQGKFNKQ-UHFFFAOYSA-N 1 2 204.233 1.063 20 0 BDADLO Fc1cccc(C[NH+]2CC3(C2)CCOC3)n1 ZINC001140129982 991533538 /nfs/dbraw/zinc/53/35/38/991533538.db2.gz FKFIALPMRHBNEX-UHFFFAOYSA-N 1 2 222.263 1.443 20 0 BDADLO C[C@H](Cc1cccnc1)[NH2+]CC(F)(F)CO ZINC001258617425 991544211 /nfs/dbraw/zinc/54/42/11/991544211.db2.gz ROOGGFOFRQBIOM-SECBINFHSA-N 1 2 230.258 1.230 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc2n(n1)CCCC2 ZINC001140187530 991554677 /nfs/dbraw/zinc/55/46/77/991554677.db2.gz SHULOKKDYPNDCR-NSHDSACASA-N 1 2 248.330 1.252 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc2n(n1)CCCC2 ZINC001140187530 991554687 /nfs/dbraw/zinc/55/46/87/991554687.db2.gz SHULOKKDYPNDCR-NSHDSACASA-N 1 2 248.330 1.252 20 0 BDADLO C[C@@H](Cc1cccnc1)[NH+]1CC2(CCO2)C1 ZINC001258630111 991571177 /nfs/dbraw/zinc/57/11/77/991571177.db2.gz OQKIQPZRXDOBJH-NSHDSACASA-N 1 2 218.300 1.487 20 0 BDADLO CC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2cccnc2)CCO1 ZINC001258633649 991578768 /nfs/dbraw/zinc/57/87/68/991578768.db2.gz XQWAEKCTAUAZCH-RISCZKNCSA-N 1 2 248.326 1.302 20 0 BDADLO CC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2cccnc2)CCO1 ZINC001258633649 991578776 /nfs/dbraw/zinc/57/87/76/991578776.db2.gz XQWAEKCTAUAZCH-RISCZKNCSA-N 1 2 248.326 1.302 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2O)CCO1 ZINC001140274210 991580075 /nfs/dbraw/zinc/58/00/75/991580075.db2.gz WZNJXMORRTYUHJ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2O)CCO1 ZINC001140274210 991580085 /nfs/dbraw/zinc/58/00/85/991580085.db2.gz WZNJXMORRTYUHJ-VIFPVBQESA-N 1 2 208.261 1.008 20 0 BDADLO CC[N@H+](Cc1ccncc1O)[C@@H](C)C(=O)OC ZINC001140279500 991595520 /nfs/dbraw/zinc/59/55/20/991595520.db2.gz OQTVXMVINQVZHO-VIFPVBQESA-N 1 2 238.287 1.171 20 0 BDADLO CC[N@@H+](Cc1ccncc1O)[C@@H](C)C(=O)OC ZINC001140279500 991595527 /nfs/dbraw/zinc/59/55/27/991595527.db2.gz OQTVXMVINQVZHO-VIFPVBQESA-N 1 2 238.287 1.171 20 0 BDADLO CCn1cnc(Cl)c1C[NH2+]CCF ZINC001560795908 991602826 /nfs/dbraw/zinc/60/28/26/991602826.db2.gz JIIVPELFZIPEPI-UHFFFAOYSA-N 1 2 205.664 1.616 20 0 BDADLO F[C@H]1C[N@H+](Cc2ccncn2)C[C@@H]2C[C@@H]21 ZINC001140343196 991613128 /nfs/dbraw/zinc/61/31/28/991613128.db2.gz NKDQOJNXMYRRRA-LSJOCFKGSA-N 1 2 207.252 1.266 20 0 BDADLO F[C@H]1C[N@@H+](Cc2ccncn2)C[C@@H]2C[C@@H]21 ZINC001140343196 991613134 /nfs/dbraw/zinc/61/31/34/991613134.db2.gz NKDQOJNXMYRRRA-LSJOCFKGSA-N 1 2 207.252 1.266 20 0 BDADLO CC(C)CCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318031112 991614706 /nfs/dbraw/zinc/61/47/06/991614706.db2.gz PZMYKNRCFATKOE-NSHDSACASA-N 1 2 223.320 1.997 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccncn1)C2 ZINC001140347934 991619013 /nfs/dbraw/zinc/61/90/13/991619013.db2.gz BQPWSQJNWKHPJM-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccncn1)C2 ZINC001140347934 991619019 /nfs/dbraw/zinc/61/90/19/991619019.db2.gz BQPWSQJNWKHPJM-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO CC[N@H+](Cc1cccnc1)Cc1ccncn1 ZINC001140347312 991619175 /nfs/dbraw/zinc/61/91/75/991619175.db2.gz DPOVEGITWABWOM-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO CC[N@@H+](Cc1cccnc1)Cc1ccncn1 ZINC001140347312 991619178 /nfs/dbraw/zinc/61/91/78/991619178.db2.gz DPOVEGITWABWOM-UHFFFAOYSA-N 1 2 228.299 1.894 20 0 BDADLO C[N@H+](Cc1ccncc1)Cc1ccncn1 ZINC001140347137 991619305 /nfs/dbraw/zinc/61/93/05/991619305.db2.gz XSNKKHLTSDPDFV-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1ccncc1)Cc1ccncn1 ZINC001140347137 991619309 /nfs/dbraw/zinc/61/93/09/991619309.db2.gz XSNKKHLTSDPDFV-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H](C)Cc2ccno2)no1 ZINC001560862424 991629094 /nfs/dbraw/zinc/62/90/94/991629094.db2.gz NXLHVWJWFBUKQD-SFYZADRCSA-N 1 2 236.275 1.648 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140384780 991629701 /nfs/dbraw/zinc/62/97/01/991629701.db2.gz NGYOYYLQMGJKOS-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO OC1C[NH+](Cc2ccccc2-c2nccs2)C1 ZINC001140449836 991641898 /nfs/dbraw/zinc/64/18/98/991641898.db2.gz YNOMEXGVRJUEHY-UHFFFAOYSA-N 1 2 246.335 1.987 20 0 BDADLO C[C@H](C(=O)N1CCC[C@H]1C1CC1)n1cc[nH+]c1 ZINC001318307846 991644792 /nfs/dbraw/zinc/64/47/92/991644792.db2.gz PUNAWRBACKPKNJ-PWSUYJOCSA-N 1 2 233.315 1.845 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(O)c(C)c2)C1 ZINC001140574524 991673986 /nfs/dbraw/zinc/67/39/86/991673986.db2.gz IDKFXNHVJVHEJN-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO C[C@H](C(=O)N1C[C@H](C)C[C@H]1C)n1cc[nH+]c1 ZINC001318661477 991695426 /nfs/dbraw/zinc/69/54/26/991695426.db2.gz MXYUGAGHGTZJCJ-GMTAPVOTSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@@H](C(=O)N1C[C@H](C)[C@H](C)C1)n1cc[nH+]c1 ZINC001318997345 991758790 /nfs/dbraw/zinc/75/87/90/991758790.db2.gz TWZVLAJENSJYMS-AXFHLTTASA-N 1 2 221.304 1.559 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC001319042943 991771491 /nfs/dbraw/zinc/77/14/91/991771491.db2.gz DREOUQJDRHOQII-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC001319042943 991771498 /nfs/dbraw/zinc/77/14/98/991771498.db2.gz DREOUQJDRHOQII-VIFPVBQESA-N 1 2 239.319 1.588 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258809411 991815634 /nfs/dbraw/zinc/81/56/34/991815634.db2.gz ZFTLLKXBJSPXLZ-VWYCJHECSA-N 1 2 229.320 1.079 20 0 BDADLO CC(C)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001566128820 991824026 /nfs/dbraw/zinc/82/40/26/991824026.db2.gz CSNHYVXIEMZWGI-VIFPVBQESA-N 1 2 237.303 1.831 20 0 BDADLO CC(C)c1cc(NC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001566128820 991824030 /nfs/dbraw/zinc/82/40/30/991824030.db2.gz CSNHYVXIEMZWGI-VIFPVBQESA-N 1 2 237.303 1.831 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC(C)(C)C1(C)C ZINC001319379146 991853635 /nfs/dbraw/zinc/85/36/35/991853635.db2.gz GGBDUHXDWASNDX-UHFFFAOYSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1cn[nH]c1 ZINC001319731364 991952788 /nfs/dbraw/zinc/95/27/88/991952788.db2.gz ODLLUJAJPDBOJN-IUCAKERBSA-N 1 2 233.275 1.045 20 0 BDADLO CC/C=C(\C)C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001567786110 992092921 /nfs/dbraw/zinc/09/29/21/992092921.db2.gz MRWJAFCAFWAEPQ-RUYJGKKWSA-N 1 2 240.347 1.178 20 0 BDADLO CC[C@@H](C)S(=O)(=O)Nc1c(C)[nH+]cn1C ZINC001260727299 992139460 /nfs/dbraw/zinc/13/94/60/992139460.db2.gz PPSNRBVEESJSEA-SSDOTTSWSA-N 1 2 231.321 1.269 20 0 BDADLO Cc1cc(C[N@@H+](C)CC2(O)CCC2)n[nH]1 ZINC001320306729 992162053 /nfs/dbraw/zinc/16/20/53/992162053.db2.gz AQIAHAWGVVRMHQ-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@H+](C)CC2(O)CCC2)n[nH]1 ZINC001320306729 992162062 /nfs/dbraw/zinc/16/20/62/992162062.db2.gz AQIAHAWGVVRMHQ-UHFFFAOYSA-N 1 2 209.293 1.065 20 0 BDADLO CC(C)(C)/C=C/C(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001569350212 992367191 /nfs/dbraw/zinc/36/71/91/992367191.db2.gz HACBZFKQERVDTE-DUMNWFOQSA-N 1 2 242.338 1.749 20 0 BDADLO CC(C)(C)/C=C/C(=O)NC[C@H]1CC[N@H+]1CCF ZINC001569350212 992367203 /nfs/dbraw/zinc/36/72/03/992367203.db2.gz HACBZFKQERVDTE-DUMNWFOQSA-N 1 2 242.338 1.749 20 0 BDADLO OC1CCC(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC001261641133 992435648 /nfs/dbraw/zinc/43/56/48/992435648.db2.gz WZQIEHFRLAITKD-VQXHTEKXSA-N 1 2 249.301 1.239 20 0 BDADLO OC1CCC(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC001261641133 992435651 /nfs/dbraw/zinc/43/56/51/992435651.db2.gz WZQIEHFRLAITKD-VQXHTEKXSA-N 1 2 249.301 1.239 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)[nH]n1 ZINC001321035368 992438289 /nfs/dbraw/zinc/43/82/89/992438289.db2.gz VDZBIVVRMSCQAB-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)[nH]n1 ZINC001321035368 992438292 /nfs/dbraw/zinc/43/82/92/992438292.db2.gz VDZBIVVRMSCQAB-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCOCC1 ZINC001321208346 992489574 /nfs/dbraw/zinc/48/95/74/992489574.db2.gz YALBRVVQPJWWQX-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCOCC1 ZINC001321208346 992489580 /nfs/dbraw/zinc/48/95/80/992489580.db2.gz YALBRVVQPJWWQX-SNVBAGLBSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H](C(=O)N[C@H]1C[C@@H](C)O[C@@H]1C)n1cc[nH+]c1 ZINC001261882285 992558966 /nfs/dbraw/zinc/55/89/66/992558966.db2.gz XILLRBDSJWXCJZ-DBIOUOCHSA-N 1 2 237.303 1.126 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)N=S1(=O)CC[NH2+]CC1 ZINC001573672578 992670372 /nfs/dbraw/zinc/67/03/72/992670372.db2.gz JVSRRCJQKHHBLJ-UWVGGRQHSA-N 1 2 246.376 1.266 20 0 BDADLO CC[N@@H+]1CCC[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])C1 ZINC001573888388 992749268 /nfs/dbraw/zinc/74/92/68/992749268.db2.gz CZPOZVXEZZWNOI-LLVKDONJSA-N 1 2 242.363 1.561 20 0 BDADLO CC[N@H+]1CCC[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])C1 ZINC001573888388 992749277 /nfs/dbraw/zinc/74/92/77/992749277.db2.gz CZPOZVXEZZWNOI-LLVKDONJSA-N 1 2 242.363 1.561 20 0 BDADLO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ncco1 ZINC001262202368 992794439 /nfs/dbraw/zinc/79/44/39/992794439.db2.gz SNTZNWBGWKGISU-BQBZGAKWSA-N 1 2 238.209 1.639 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCC(F)F ZINC001262206122 992802619 /nfs/dbraw/zinc/80/26/19/992802619.db2.gz QFQWYZQZECSXCK-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)OC ZINC001262275921 992820136 /nfs/dbraw/zinc/82/01/36/992820136.db2.gz PGLROBFTVPQXTQ-ZPFDUUQYSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ncccn2)cnn1C ZINC001262257034 992823976 /nfs/dbraw/zinc/82/39/76/992823976.db2.gz ALCAUBICCVPDEW-ZJUUUORDSA-N 1 2 245.330 1.930 20 0 BDADLO Cc1cnc(NC(=O)CCc2c[nH]c[nH+]2)o1 ZINC001262340972 992847454 /nfs/dbraw/zinc/84/74/54/992847454.db2.gz UCEACAWMWAMJOU-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO Cc1cnc(NC(=O)CCc2c[nH+]c[nH]2)o1 ZINC001262340972 992847456 /nfs/dbraw/zinc/84/74/56/992847456.db2.gz UCEACAWMWAMJOU-UHFFFAOYSA-N 1 2 220.232 1.277 20 0 BDADLO CN(C)c1cc(NCCCCCCO)[nH+]cn1 ZINC001262363360 992857774 /nfs/dbraw/zinc/85/77/74/992857774.db2.gz QHXUEWRNIYHLKF-UHFFFAOYSA-N 1 2 238.335 1.507 20 0 BDADLO CN(C)c1cc(NCCCCCCO)nc[nH+]1 ZINC001262363360 992857775 /nfs/dbraw/zinc/85/77/75/992857775.db2.gz QHXUEWRNIYHLKF-UHFFFAOYSA-N 1 2 238.335 1.507 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2ccns2)[C@@H](C)C1 ZINC001262624932 992975124 /nfs/dbraw/zinc/97/51/24/992975124.db2.gz VFSFJRFALDRRKT-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2ccns2)[C@@H](C)C1 ZINC001262624932 992975132 /nfs/dbraw/zinc/97/51/32/992975132.db2.gz VFSFJRFALDRRKT-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\c1nccs1 ZINC001263377570 993254889 /nfs/dbraw/zinc/25/48/89/993254889.db2.gz FRERTNNMQYSSLC-IHWYPQMZSA-N 1 2 249.295 1.633 20 0 BDADLO Cc1nc[nH]c1C(=O)OCCn1cc[nH+]c1C ZINC001263471009 993328012 /nfs/dbraw/zinc/32/80/12/993328012.db2.gz PKGBOZTXPRZXOA-UHFFFAOYSA-N 1 2 234.259 1.080 20 0 BDADLO C[N@H+](Cc1cnn[nH]1)C[C@]1(C)CCCS1 ZINC001576859633 993440119 /nfs/dbraw/zinc/44/01/19/993440119.db2.gz LTXLMSFCVARTGN-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1cnn[nH]1)C[C@]1(C)CCCS1 ZINC001576859633 993440121 /nfs/dbraw/zinc/44/01/21/993440121.db2.gz LTXLMSFCVARTGN-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO C[N@H+](Cc1c[nH]nn1)C[C@]1(C)CCCS1 ZINC001576859633 993440126 /nfs/dbraw/zinc/44/01/26/993440126.db2.gz LTXLMSFCVARTGN-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1c[nH]nn1)C[C@]1(C)CCCS1 ZINC001576859633 993440130 /nfs/dbraw/zinc/44/01/30/993440130.db2.gz LTXLMSFCVARTGN-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)C[C@]1(C)CCCS1 ZINC001576859633 993440133 /nfs/dbraw/zinc/44/01/33/993440133.db2.gz LTXLMSFCVARTGN-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)C[C@]1(C)CCCS1 ZINC001576859633 993440138 /nfs/dbraw/zinc/44/01/38/993440138.db2.gz LTXLMSFCVARTGN-JTQLQIEISA-N 1 2 226.349 1.522 20 0 BDADLO C[C@@H]1CC[C@@H](O)CN1c1cc(N)cc(Cl)[nH+]1 ZINC000382419761 993458762 /nfs/dbraw/zinc/45/87/62/993458762.db2.gz WOYMVEZPUFVBHM-VXNVDRBHSA-N 1 2 241.722 1.667 20 0 BDADLO CSC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001263734941 993476398 /nfs/dbraw/zinc/47/63/98/993476398.db2.gz DDMYDLPUGLYSNI-SECBINFHSA-N 1 2 241.360 1.220 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@]1(C)CC=CCC1 ZINC001263841816 993548644 /nfs/dbraw/zinc/54/86/44/993548644.db2.gz WFIBIOPADJYALM-CQSZACIVSA-N 1 2 247.342 1.968 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1(C2CCC2)CC1 ZINC001263846433 993549750 /nfs/dbraw/zinc/54/97/50/993549750.db2.gz RDJSYVJZAPEXCE-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001263927255 993605257 /nfs/dbraw/zinc/60/52/57/993605257.db2.gz YIHULWCLBUSHPX-TUAOUCFPSA-N 1 2 247.342 1.515 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)c2nccn21 ZINC000388382312 993731046 /nfs/dbraw/zinc/73/10/46/993731046.db2.gz RZQXFPGUTIVIOS-GXSJLCMTSA-N 1 2 231.303 1.412 20 0 BDADLO Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC000700171428 993823563 /nfs/dbraw/zinc/82/35/63/993823563.db2.gz XSLNPCBTEIHKMX-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO Cc1ccc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC000700171428 993823560 /nfs/dbraw/zinc/82/35/60/993823560.db2.gz XSLNPCBTEIHKMX-LLVKDONJSA-N 1 2 221.304 1.133 20 0 BDADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2nnc(C)[nH]2)cn1 ZINC000392426754 993857896 /nfs/dbraw/zinc/85/78/96/993857896.db2.gz WVTRETSVPVFTGY-DTWKUNHWSA-N 1 2 248.334 1.741 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC000701790846 993911644 /nfs/dbraw/zinc/91/16/44/993911644.db2.gz OFUZCDCZMGRTJI-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](OC(C)C)C1 ZINC000701790846 993911646 /nfs/dbraw/zinc/91/16/46/993911646.db2.gz OFUZCDCZMGRTJI-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](F)[C@H](F)C2)c[nH+]1 ZINC000724780917 994077831 /nfs/dbraw/zinc/07/78/31/994077831.db2.gz RUCJNSPBLNASAE-RKDXNWHRSA-N 1 2 201.220 1.210 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](F)[C@H](F)C2)[nH+]1 ZINC000724780917 994077834 /nfs/dbraw/zinc/07/78/34/994077834.db2.gz RUCJNSPBLNASAE-RKDXNWHRSA-N 1 2 201.220 1.210 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724712615 994078037 /nfs/dbraw/zinc/07/80/37/994078037.db2.gz OVKUQIWRSBITRF-RQJHMYQMSA-N 1 2 220.263 1.131 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001316601354 994093933 /nfs/dbraw/zinc/09/39/33/994093933.db2.gz GCBPMKJCIWLJIC-RYUDHWBXSA-N 1 2 244.354 1.781 20 0 BDADLO CC(C)[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001316601354 994093945 /nfs/dbraw/zinc/09/39/45/994093945.db2.gz GCBPMKJCIWLJIC-RYUDHWBXSA-N 1 2 244.354 1.781 20 0 BDADLO O=c1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc[nH]1 ZINC001333696310 994501922 /nfs/dbraw/zinc/50/19/22/994501922.db2.gz JDJSVSSHKALPRO-SNVBAGLBSA-N 1 2 245.286 1.220 20 0 BDADLO C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1C[C@H]1C(=O)[O-] ZINC001593268179 994593841 /nfs/dbraw/zinc/59/38/41/994593841.db2.gz UFHLPVOOLBCNBG-NNYUYHANSA-N 1 2 240.347 1.170 20 0 BDADLO C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1C[C@H]1C(=O)[O-] ZINC001593268179 994593848 /nfs/dbraw/zinc/59/38/48/994593848.db2.gz UFHLPVOOLBCNBG-NNYUYHANSA-N 1 2 240.347 1.170 20 0 BDADLO CCc1cc(NC(=O)[C@H]2CC[N@H+]2CC)n(C)n1 ZINC001293501354 994656559 /nfs/dbraw/zinc/65/65/59/994656559.db2.gz SWNIVFRKZYFNBO-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO CCc1cc(NC(=O)[C@H]2CC[N@@H+]2CC)n(C)n1 ZINC001293501354 994656569 /nfs/dbraw/zinc/65/65/69/994656569.db2.gz SWNIVFRKZYFNBO-SNVBAGLBSA-N 1 2 236.319 1.015 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ncon1 ZINC001335484203 994786224 /nfs/dbraw/zinc/78/62/24/994786224.db2.gz XGYOIMRQLNOTTR-ZYHUDNBSSA-N 1 2 247.298 1.324 20 0 BDADLO Cc1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)ccn1 ZINC001298201396 994906593 /nfs/dbraw/zinc/90/65/93/994906593.db2.gz UUHOZDPQEXXLGX-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC001299910898 994982583 /nfs/dbraw/zinc/98/25/83/994982583.db2.gz GECKYUMWSUUNTO-WCABBAIRSA-N 1 2 248.330 1.566 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC001299910898 994982595 /nfs/dbraw/zinc/98/25/95/994982595.db2.gz GECKYUMWSUUNTO-WCABBAIRSA-N 1 2 248.330 1.566 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1nccc2cc[nH]c21 ZINC001300954733 995064431 /nfs/dbraw/zinc/06/44/31/995064431.db2.gz OZPZVWXNBKLSSG-SNVBAGLBSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1nccc2cc[nH]c21 ZINC001300954733 995064441 /nfs/dbraw/zinc/06/44/41/995064441.db2.gz OZPZVWXNBKLSSG-SNVBAGLBSA-N 1 2 244.298 1.596 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc2ocnc21 ZINC001302293197 995117041 /nfs/dbraw/zinc/11/70/41/995117041.db2.gz FUDRBUHLNCZLOD-SNVBAGLBSA-N 1 2 245.282 1.861 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc2ocnc21 ZINC001302293197 995117038 /nfs/dbraw/zinc/11/70/38/995117038.db2.gz FUDRBUHLNCZLOD-SNVBAGLBSA-N 1 2 245.282 1.861 20 0 BDADLO Cc1nc(N2CC(F)(F)C2)c(C)c(C)[nH+]1 ZINC001336991664 995132706 /nfs/dbraw/zinc/13/27/06/995132706.db2.gz PMIPHFRFZBWDBZ-UHFFFAOYSA-N 1 2 213.231 1.857 20 0 BDADLO Cn1c2cc(Cn3cc[nH+]c3)ccc2oc1=O ZINC001307539780 995396618 /nfs/dbraw/zinc/39/66/18/995396618.db2.gz TVWGHDVJIQHZDC-UHFFFAOYSA-N 1 2 229.239 1.376 20 0 BDADLO CC(C)OC1CC([N@H+](C)Cc2ncccn2)C1 ZINC001308035354 995532380 /nfs/dbraw/zinc/53/23/80/995532380.db2.gz HFLSFTMIPZDWPA-UHFFFAOYSA-N 1 2 235.331 1.864 20 0 BDADLO CC(C)OC1CC([N@@H+](C)Cc2ncccn2)C1 ZINC001308035354 995532391 /nfs/dbraw/zinc/53/23/91/995532391.db2.gz HFLSFTMIPZDWPA-UHFFFAOYSA-N 1 2 235.331 1.864 20 0 BDADLO COC(=O)C[N@H+](C)C/C=C\c1ccccc1 ZINC000214453798 136212188 /nfs/dbraw/zinc/21/21/88/136212188.db2.gz GWTGBIQQMBPSSG-TWGQIWQCSA-N 1 2 219.284 1.805 20 0 BDADLO COC(=O)C[N@@H+](C)C/C=C\c1ccccc1 ZINC000214453798 136212189 /nfs/dbraw/zinc/21/21/89/136212189.db2.gz GWTGBIQQMBPSSG-TWGQIWQCSA-N 1 2 219.284 1.805 20 0 BDADLO CCc1cc(N2CCN(C)C(=O)[C@H]2C)nc(C)[nH+]1 ZINC000489992048 538917424 /nfs/dbraw/zinc/91/74/24/538917424.db2.gz LNZBJDHCOJTXGS-SECBINFHSA-N 1 2 248.330 1.014 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320190 398143394 /nfs/dbraw/zinc/14/33/94/398143394.db2.gz NQSGQSZXEARSOA-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320190 398143396 /nfs/dbraw/zinc/14/33/96/398143396.db2.gz NQSGQSZXEARSOA-SFYZADRCSA-N 1 2 227.226 1.020 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnnn2C)ccc1F ZINC000352348831 177975250 /nfs/dbraw/zinc/97/52/50/177975250.db2.gz FYPRMLSGLUHOMC-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnnn2C)ccc1F ZINC000352348831 177975252 /nfs/dbraw/zinc/97/52/52/177975252.db2.gz FYPRMLSGLUHOMC-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccco1 ZINC000268761888 538918015 /nfs/dbraw/zinc/91/80/15/538918015.db2.gz MBLWUTJTWSXZSO-SNVBAGLBSA-N 1 2 233.271 1.224 20 0 BDADLO C[C@@H](CNC(=O)Cc1ccco1)Cn1cc[nH+]c1 ZINC000268812779 538918387 /nfs/dbraw/zinc/91/83/87/538918387.db2.gz DNQDAXRRDQRNLP-NSHDSACASA-N 1 2 247.298 1.471 20 0 BDADLO CCC(CC)([NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)OC ZINC000338353092 168330722 /nfs/dbraw/zinc/33/07/22/168330722.db2.gz YCPUMKFKGLSRSH-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO CCC(CC)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000336680635 168331075 /nfs/dbraw/zinc/33/10/75/168331075.db2.gz OEZRPFPQUVUCFR-SNVBAGLBSA-N 1 2 231.336 1.325 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161602993 349484501 /nfs/dbraw/zinc/48/45/01/349484501.db2.gz VDEIVVXVDLOCOW-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncccc2C)no1 ZINC000161804246 349507841 /nfs/dbraw/zinc/50/78/41/349507841.db2.gz NUWKDKKYEFHLGF-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@H](C)CCO)o1 ZINC000649866947 398148358 /nfs/dbraw/zinc/14/83/58/398148358.db2.gz AJDKZOIKWGLHAC-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@H](C)CCO)o1 ZINC000649866947 398148361 /nfs/dbraw/zinc/14/83/61/398148361.db2.gz AJDKZOIKWGLHAC-SECBINFHSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@@H](C)CCO)no1 ZINC000649867739 398149676 /nfs/dbraw/zinc/14/96/76/398149676.db2.gz QQDHJPZPQLKYCL-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@@H](C)CCO)no1 ZINC000649867739 398149679 /nfs/dbraw/zinc/14/96/79/398149679.db2.gz QQDHJPZPQLKYCL-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)nn1C ZINC000336696788 178005287 /nfs/dbraw/zinc/00/52/87/178005287.db2.gz GVZSGJCHIRJJRX-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)nn1C ZINC000336696788 178005289 /nfs/dbraw/zinc/00/52/89/178005289.db2.gz GVZSGJCHIRJJRX-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)C(F)F ZINC000379546852 398152480 /nfs/dbraw/zinc/15/24/80/398152480.db2.gz XMCFCOPLONKERN-RNFRBKRXSA-N 1 2 208.252 1.096 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cs1 ZINC000335550907 178007191 /nfs/dbraw/zinc/00/71/91/178007191.db2.gz HKZQBHKMRSIFCS-JOYOIKCWSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cs1 ZINC000335550907 178007192 /nfs/dbraw/zinc/00/71/92/178007192.db2.gz HKZQBHKMRSIFCS-JOYOIKCWSA-N 1 2 241.356 1.638 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H](C)CCO)[nH]1 ZINC000649871055 398153627 /nfs/dbraw/zinc/15/36/27/398153627.db2.gz QOYMNNIZIULURW-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)CCO)[nH]1 ZINC000649871055 398153629 /nfs/dbraw/zinc/15/36/29/398153629.db2.gz QOYMNNIZIULURW-VIFPVBQESA-N 1 2 226.324 1.131 20 0 BDADLO Cc1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)no1 ZINC000336651039 178024664 /nfs/dbraw/zinc/02/46/64/178024664.db2.gz HUNQLKKZLXJHHT-QMMMGPOBSA-N 1 2 238.209 1.386 20 0 BDADLO Cc1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)no1 ZINC000336651033 178025428 /nfs/dbraw/zinc/02/54/28/178025428.db2.gz HUNQLKKZLXJHHT-MRVPVSSYSA-N 1 2 238.209 1.386 20 0 BDADLO CCCCNC(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000649897621 398169263 /nfs/dbraw/zinc/16/92/63/398169263.db2.gz ADLFXBXOCDBVPZ-UHFFFAOYSA-N 1 2 249.358 1.738 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000649897621 398169268 /nfs/dbraw/zinc/16/92/68/398169268.db2.gz ADLFXBXOCDBVPZ-UHFFFAOYSA-N 1 2 249.358 1.738 20 0 BDADLO Cc1cc(C[NH2+]Cc2ncc(C)n2C)n(C)n1 ZINC000341362410 178028145 /nfs/dbraw/zinc/02/81/45/178028145.db2.gz AYEHWVPTXYIXPE-UHFFFAOYSA-N 1 2 233.319 1.060 20 0 BDADLO Cc1cc(CNCc2[nH+]cc(C)n2C)n(C)n1 ZINC000341362410 178028147 /nfs/dbraw/zinc/02/81/47/178028147.db2.gz AYEHWVPTXYIXPE-UHFFFAOYSA-N 1 2 233.319 1.060 20 0 BDADLO C[C@H]1CC[N@H+](CC2(F)CC2)CC[S@]1=O ZINC000527528223 398170914 /nfs/dbraw/zinc/17/09/14/398170914.db2.gz IPEJTVLSNXRBBX-LKFCYVNXSA-N 1 2 219.325 1.331 20 0 BDADLO C[C@H]1CC[N@@H+](CC2(F)CC2)CC[S@]1=O ZINC000527528223 398170917 /nfs/dbraw/zinc/17/09/17/398170917.db2.gz IPEJTVLSNXRBBX-LKFCYVNXSA-N 1 2 219.325 1.331 20 0 BDADLO CO[C@@H](C)CCNc1nc[nH+]c(N)c1Cl ZINC000277394791 398173698 /nfs/dbraw/zinc/17/36/98/398173698.db2.gz JKZUEFUWOYEQDV-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO CO[C@@H](C)CCNc1[nH+]cnc(N)c1Cl ZINC000277394791 398173701 /nfs/dbraw/zinc/17/37/01/398173701.db2.gz JKZUEFUWOYEQDV-LURJTMIESA-N 1 2 230.699 1.549 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649908508 398183714 /nfs/dbraw/zinc/18/37/14/398183714.db2.gz PTBMZPMLKYHUHK-SECBINFHSA-N 1 2 228.246 1.344 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000649908508 398183715 /nfs/dbraw/zinc/18/37/15/398183715.db2.gz PTBMZPMLKYHUHK-SECBINFHSA-N 1 2 228.246 1.344 20 0 BDADLO Cc1cc(NCCc2nnc[nH]2)nc(C(C)C)[nH+]1 ZINC000080590299 398182176 /nfs/dbraw/zinc/18/21/76/398182176.db2.gz FALMPXLRFUWXDE-UHFFFAOYSA-N 1 2 246.318 1.681 20 0 BDADLO Cc1cc(NCCc2nc[nH]n2)nc(C(C)C)[nH+]1 ZINC000080590299 398182180 /nfs/dbraw/zinc/18/21/80/398182180.db2.gz FALMPXLRFUWXDE-UHFFFAOYSA-N 1 2 246.318 1.681 20 0 BDADLO Cn1ncnc1NCc1cn2ccccc2[nH+]1 ZINC000162193050 538921384 /nfs/dbraw/zinc/92/13/84/538921384.db2.gz AQUFNXCMPWLDDW-UHFFFAOYSA-N 1 2 228.259 1.075 20 0 BDADLO CN(C)C(=O)C1([NH2+]CC(F)F)CCCCC1 ZINC000649919188 398187384 /nfs/dbraw/zinc/18/73/84/398187384.db2.gz KDDUVBVQYHKROT-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO Cc1ccc(NC(=O)c2cn(C)nn2)c(C)[nH+]1 ZINC000342143444 398189159 /nfs/dbraw/zinc/18/91/59/398189159.db2.gz TVGUKXCPUWABSR-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO Cc1cc(N(C)CC[C@@H]2CCCO2)nc[nH+]1 ZINC000302727985 178098785 /nfs/dbraw/zinc/09/87/85/178098785.db2.gz TULYLAITWBJSKQ-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO Cc1cc(N(C)CCCn2cc[nH+]c2)ncn1 ZINC000301719187 178099181 /nfs/dbraw/zinc/09/91/81/178099181.db2.gz ZEZRMTFYAPLUBA-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO Cc1cc(N(CCO)C(C)C)nc(C2CC2)[nH+]1 ZINC000193361759 178102144 /nfs/dbraw/zinc/10/21/44/178102144.db2.gz JWRXTSKFMINBKO-UHFFFAOYSA-N 1 2 235.331 1.870 20 0 BDADLO Cc1cc(N(C)[C@H]2CCSC2)nc[nH+]1 ZINC000301855779 178102908 /nfs/dbraw/zinc/10/29/08/178102908.db2.gz RBYIGNWSWZXKDP-VIFPVBQESA-N 1 2 209.318 1.727 20 0 BDADLO Cc1cc(N2CCC[C@@H]2CO)nc(C(C)C)[nH+]1 ZINC000042434639 178115368 /nfs/dbraw/zinc/11/53/68/178115368.db2.gz FFMYJVRNKAKGAM-LLVKDONJSA-N 1 2 235.331 1.870 20 0 BDADLO Cc1cc(N)nc(SCCC2OCCO2)[nH+]1 ZINC000163544752 178108837 /nfs/dbraw/zinc/10/88/37/178108837.db2.gz NRNGGEIXMRKWSH-UHFFFAOYSA-N 1 2 241.316 1.222 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2CCOC2)[nH+]1 ZINC000042153338 178109488 /nfs/dbraw/zinc/10/94/88/178109488.db2.gz YYUFQFREHXSUQW-MRVPVSSYSA-N 1 2 225.317 1.496 20 0 BDADLO Cc1cc(N)nc(SC[C@@H](O)C(C)C)[nH+]1 ZINC000298241341 178109507 /nfs/dbraw/zinc/10/95/07/178109507.db2.gz JBVBPSPXBYLDQA-MRVPVSSYSA-N 1 2 227.333 1.476 20 0 BDADLO CCCCNc1cc(NC[C@H]2C[C@H]2C)nc(N)[nH+]1 ZINC000341783903 398185240 /nfs/dbraw/zinc/18/52/40/398185240.db2.gz YVFZPOUWXZMAOV-NXEZZACHSA-N 1 2 249.362 1.591 20 0 BDADLO CCCCNc1cc(NC[C@H]2C[C@H]2C)[nH+]c(N)n1 ZINC000341783903 398185245 /nfs/dbraw/zinc/18/52/45/398185245.db2.gz YVFZPOUWXZMAOV-NXEZZACHSA-N 1 2 249.362 1.591 20 0 BDADLO Cc1cc(N2CCOCC(F)(F)C2)nc[nH+]1 ZINC000341066272 178116454 /nfs/dbraw/zinc/11/64/54/178116454.db2.gz HDCWNZYOTDQWMD-UHFFFAOYSA-N 1 2 229.230 1.257 20 0 BDADLO Cc1cc(N2C[C@@H](O)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000350701115 178121193 /nfs/dbraw/zinc/12/11/93/178121193.db2.gz LVVGFYURSKGLHT-MNOVXSKESA-N 1 2 235.331 1.868 20 0 BDADLO Cc1n[nH]c(CCNc2cc(C)[nH+]c(C)n2)n1 ZINC000271669214 538924432 /nfs/dbraw/zinc/92/44/32/538924432.db2.gz WQNTVLANXRBHGC-UHFFFAOYSA-N 1 2 232.291 1.175 20 0 BDADLO Cc1nc(CCNc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000271669214 538924433 /nfs/dbraw/zinc/92/44/33/538924433.db2.gz WQNTVLANXRBHGC-UHFFFAOYSA-N 1 2 232.291 1.175 20 0 BDADLO Cc1cc(NC(=O)C(C)(F)F)cc[nH+]1 ZINC000293611346 178123761 /nfs/dbraw/zinc/12/37/61/178123761.db2.gz GNXJUMKVRQZCKV-UHFFFAOYSA-N 1 2 200.188 1.984 20 0 BDADLO Cc1cc(NC(=O)C2(C)COC2)cc[nH+]1 ZINC000272874908 178125421 /nfs/dbraw/zinc/12/54/21/178125421.db2.gz FCYNSHQDOZFIPS-UHFFFAOYSA-N 1 2 206.245 1.365 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2CCC3(CC3)CC2)on1 ZINC000366669335 178130015 /nfs/dbraw/zinc/13/00/15/178130015.db2.gz GEVLGRKKXCQYSU-UHFFFAOYSA-N 1 2 249.314 1.798 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1COCCO1 ZINC000408473250 398213374 /nfs/dbraw/zinc/21/33/74/398213374.db2.gz ZSKLWPDHEOCBSA-SNVBAGLBSA-N 1 2 236.271 1.052 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)CF)cc[nH+]1 ZINC000287001839 178140408 /nfs/dbraw/zinc/14/04/08/178140408.db2.gz HBADSUJDDFZUIB-QMMMGPOBSA-N 1 2 211.240 1.870 20 0 BDADLO Cc1cc(NC(=O)NC[C@H](O)C2CC2)cc[nH+]1 ZINC000271091604 178141151 /nfs/dbraw/zinc/14/11/51/178141151.db2.gz UXVKNPPQMNUUDX-NSHDSACASA-N 1 2 235.287 1.282 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC[C@@H](CO)C2)cc[nH+]1 ZINC000296718005 178142119 /nfs/dbraw/zinc/14/21/19/178142119.db2.gz AUIJKKIKYHZJOL-MNOVXSKESA-N 1 2 249.314 1.673 20 0 BDADLO Cc1cc(NC2CCC(C(N)=O)CC2)nc[nH+]1 ZINC000040727390 178154633 /nfs/dbraw/zinc/15/46/33/178154633.db2.gz MEDGEQNWMDZOKY-UHFFFAOYSA-N 1 2 234.303 1.241 20 0 BDADLO Cc1cc(NCCC(=O)OC(C)C)nc[nH+]1 ZINC000301233110 178158736 /nfs/dbraw/zinc/15/87/36/178158736.db2.gz ISYGIWBPTHGSGN-UHFFFAOYSA-N 1 2 223.276 1.539 20 0 BDADLO Cc1cc(NCCn2cnnc2C2CC2)nc[nH+]1 ZINC000131364392 178165383 /nfs/dbraw/zinc/16/53/83/178165383.db2.gz UCVHFNGSTVRTGE-UHFFFAOYSA-N 1 2 244.302 1.366 20 0 BDADLO Cc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)ncn1 ZINC000110586475 178170431 /nfs/dbraw/zinc/17/04/31/178170431.db2.gz GPAQMFCYDYSKPM-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)ncn1 ZINC000110586475 178170433 /nfs/dbraw/zinc/17/04/33/178170433.db2.gz GPAQMFCYDYSKPM-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1cc(NC[C@H]2CCCOC2)nc[nH+]1 ZINC000040727370 178170730 /nfs/dbraw/zinc/17/07/30/178170730.db2.gz RKFZILJKJWIQAK-SNVBAGLBSA-N 1 2 207.277 1.624 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)ccc1C(N)=O ZINC000340562398 178174517 /nfs/dbraw/zinc/17/45/17/178174517.db2.gz PJCIFTSDIXBQBX-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1CCC(F)(F)F ZINC000426760502 398221067 /nfs/dbraw/zinc/22/10/67/398221067.db2.gz RROUUALFCUWRGT-VIFPVBQESA-N 1 2 239.237 1.966 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1CCC(F)(F)F ZINC000426760502 398221069 /nfs/dbraw/zinc/22/10/69/398221069.db2.gz RROUUALFCUWRGT-VIFPVBQESA-N 1 2 239.237 1.966 20 0 BDADLO Cc1cc(NCc2ccn(C)n2)nc[nH+]1 ZINC000124824572 178174947 /nfs/dbraw/zinc/17/49/47/178174947.db2.gz XNHDCUORVFOFCB-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO O=C(C[N@@H+]1CCc2sccc2C1)N1CCC1 ZINC000073292466 343986119 /nfs/dbraw/zinc/98/61/19/343986119.db2.gz YQEWIUBJMQRIMT-UHFFFAOYSA-N 1 2 236.340 1.339 20 0 BDADLO O=C(C[N@H+]1CCc2sccc2C1)N1CCC1 ZINC000073292466 343986120 /nfs/dbraw/zinc/98/61/20/343986120.db2.gz YQEWIUBJMQRIMT-UHFFFAOYSA-N 1 2 236.340 1.339 20 0 BDADLO Cc1cc(NCc2nnc(C(C)C)n2C)nc[nH+]1 ZINC000302169394 178177381 /nfs/dbraw/zinc/17/73/81/178177381.db2.gz POZYZGUAVZJMDT-UHFFFAOYSA-N 1 2 246.318 1.649 20 0 BDADLO Cc1cc([NH2+][C@@H]2CCS(=O)(=O)C2)ccc1N ZINC000035277736 178182606 /nfs/dbraw/zinc/18/26/06/178182606.db2.gz YZRPLGWRKZSMEV-SNVBAGLBSA-N 1 2 240.328 1.176 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@H]23)nc[nH+]1 ZINC000302543234 178183721 /nfs/dbraw/zinc/18/37/21/178183721.db2.gz IDIFAOYUYZDGTP-MXWKQRLJSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1cc(N[C@H](C)C(=O)NC(C)(C)C)nc[nH+]1 ZINC000134646275 178184182 /nfs/dbraw/zinc/18/41/82/178184182.db2.gz UERQBZSUFINEFG-SECBINFHSA-N 1 2 236.319 1.500 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](O)[C@H]2C)[nH+]1 ZINC000649421200 398223829 /nfs/dbraw/zinc/22/38/29/398223829.db2.gz KTULYRIFXNZFOZ-KCJUWKMLSA-N 1 2 246.314 1.616 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2noc(C)n2)CC[C@H]1C ZINC000189296567 398223838 /nfs/dbraw/zinc/22/38/38/398223838.db2.gz WCFTUSJXDCSILG-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2noc(C)n2)CC[C@H]1C ZINC000189296567 398223844 /nfs/dbraw/zinc/22/38/44/398223844.db2.gz WCFTUSJXDCSILG-PSASIEDQSA-N 1 2 225.292 1.235 20 0 BDADLO Cc1ccc(NCc2ccc(N(C)C)[nH+]c2)nn1 ZINC000605433333 343987531 /nfs/dbraw/zinc/98/75/31/343987531.db2.gz GPXVZCFOLTZWFU-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)ncn1 ZINC000301236133 178191801 /nfs/dbraw/zinc/19/18/01/178191801.db2.gz KKOPMVCGARZITO-UHFFFAOYSA-N 1 2 229.287 1.990 20 0 BDADLO C[C@@H]1C[N@H+](CCCOC(C)(C)C)CC(=O)N1 ZINC000650051492 398227557 /nfs/dbraw/zinc/22/75/57/398227557.db2.gz QAYXVITYFNVILE-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CCCOC(C)(C)C)CC(=O)N1 ZINC000650051492 398227560 /nfs/dbraw/zinc/22/75/60/398227560.db2.gz QAYXVITYFNVILE-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO CCO[C@H](C[N@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000625555310 343988588 /nfs/dbraw/zinc/98/85/88/343988588.db2.gz SBRHAOMYGLCGNR-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CCO[C@H](C[N@@H+](C)Cc1nnc(C)o1)C1CC1 ZINC000625555310 343988591 /nfs/dbraw/zinc/98/85/91/343988591.db2.gz SBRHAOMYGLCGNR-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CCO[C@@H](C(=O)Nc1cc[nH+]cc1CC)C1CC1 ZINC000625607568 398228581 /nfs/dbraw/zinc/22/85/81/398228581.db2.gz RUZHWUGRDQSJIL-CYBMUJFWSA-N 1 2 248.326 1.820 20 0 BDADLO O=C1NCC[N@H+](CC2CC2)[C@@H]1c1cccs1 ZINC000334444803 136225664 /nfs/dbraw/zinc/22/56/64/136225664.db2.gz HOXYQCHHRAFGCP-LLVKDONJSA-N 1 2 236.340 1.631 20 0 BDADLO O=C1NCC[N@@H+](CC2CC2)[C@@H]1c1cccs1 ZINC000334444803 136225665 /nfs/dbraw/zinc/22/56/65/136225665.db2.gz HOXYQCHHRAFGCP-LLVKDONJSA-N 1 2 236.340 1.631 20 0 BDADLO Cc1ncccc1C[NH2+]Cc1ccon1 ZINC000165148236 538934678 /nfs/dbraw/zinc/93/46/78/538934678.db2.gz WNXUWAATXCWVNN-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000650078721 398232798 /nfs/dbraw/zinc/23/27/98/398232798.db2.gz RRMCAPJICPBBGC-CKYFFXLPSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)OCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276641351 538932943 /nfs/dbraw/zinc/93/29/43/538932943.db2.gz QSWHBHFWFTYSAJ-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CC(C)OCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276641351 538932944 /nfs/dbraw/zinc/93/29/44/538932944.db2.gz QSWHBHFWFTYSAJ-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421369346 192334597 /nfs/dbraw/zinc/33/45/97/192334597.db2.gz HJJGVZWSPPKNFD-LDYMZIIASA-N 1 2 209.293 1.063 20 0 BDADLO CN(CC(C)(C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000280194280 538936984 /nfs/dbraw/zinc/93/69/84/538936984.db2.gz HMQVIVLNWIMRIB-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CN(CC(C)(C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000280194280 538936985 /nfs/dbraw/zinc/93/69/85/538936985.db2.gz HMQVIVLNWIMRIB-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280678742 538937671 /nfs/dbraw/zinc/93/76/71/538937671.db2.gz USCYYQBERZQYLZ-GFCCVEGCSA-N 1 2 235.331 1.989 20 0 BDADLO CC(C)[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280678742 538937673 /nfs/dbraw/zinc/93/76/73/538937673.db2.gz USCYYQBERZQYLZ-GFCCVEGCSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)no1 ZINC000285295121 178251834 /nfs/dbraw/zinc/25/18/34/178251834.db2.gz RUDCFXWCMGIYHG-IUCAKERBSA-N 1 2 225.292 1.110 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCSC1 ZINC000279779290 538936177 /nfs/dbraw/zinc/93/61/77/538936177.db2.gz FJXVPJQBDVKYNG-JTQLQIEISA-N 1 2 239.344 1.354 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCSC1 ZINC000279779290 538936178 /nfs/dbraw/zinc/93/61/78/538936178.db2.gz FJXVPJQBDVKYNG-JTQLQIEISA-N 1 2 239.344 1.354 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCCNC2=O)no1 ZINC000281058565 178257796 /nfs/dbraw/zinc/25/77/96/178257796.db2.gz RPDZQDXDQKEMAU-UWVGGRQHSA-N 1 2 237.303 1.302 20 0 BDADLO Cc1cc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)no1 ZINC000336618854 178259679 /nfs/dbraw/zinc/25/96/79/178259679.db2.gz FDLYJCZRAWJRRR-ONGXEEELSA-N 1 2 246.314 1.914 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)C1CCC1 ZINC000576464095 365602571 /nfs/dbraw/zinc/60/25/71/365602571.db2.gz AYBROGPVBGFFNY-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)n1 ZINC000631235615 361819616 /nfs/dbraw/zinc/81/96/16/361819616.db2.gz XZYGYYZHMHIDFD-POYBYMJQSA-N 1 2 237.225 1.119 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1C2CCC1CC2 ZINC000576515164 365614489 /nfs/dbraw/zinc/61/44/89/365614489.db2.gz VLUIXWMUGCCDAE-UHFFFAOYSA-N 1 2 234.303 1.257 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343829949 365629272 /nfs/dbraw/zinc/62/92/72/365629272.db2.gz RCDPZTGNTOLSRY-UTUOFQBUSA-N 1 2 247.342 1.845 20 0 BDADLO C[C@@H](NCc1cn2ccsc2n1)c1[nH]cc[nH+]1 ZINC000286053101 538943366 /nfs/dbraw/zinc/94/33/66/538943366.db2.gz LDEXHYFNYGTHCW-MRVPVSSYSA-N 1 2 247.327 1.970 20 0 BDADLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ncc[nH]1 ZINC000286053101 538943367 /nfs/dbraw/zinc/94/33/67/538943367.db2.gz LDEXHYFNYGTHCW-MRVPVSSYSA-N 1 2 247.327 1.970 20 0 BDADLO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ncc[nH]1 ZINC000286146166 538942957 /nfs/dbraw/zinc/94/29/57/538942957.db2.gz PDJZEPOTDMEPJZ-JIMOISOXSA-N 1 2 243.310 1.719 20 0 BDADLO C[C@H](NCc1cn2ccsc2n1)c1[nH]cc[nH+]1 ZINC000286053105 538943093 /nfs/dbraw/zinc/94/30/93/538943093.db2.gz LDEXHYFNYGTHCW-QMMMGPOBSA-N 1 2 247.327 1.970 20 0 BDADLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ncc[nH]1 ZINC000286053105 538943094 /nfs/dbraw/zinc/94/30/94/538943094.db2.gz LDEXHYFNYGTHCW-QMMMGPOBSA-N 1 2 247.327 1.970 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@@H+]1CCC2(COC2)C1 ZINC000625559066 343994400 /nfs/dbraw/zinc/99/44/00/343994400.db2.gz UCQJAVPSLMLHRO-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO C(c1noc(C2CCC2)n1)[N@H+]1CCC2(COC2)C1 ZINC000625559066 343994403 /nfs/dbraw/zinc/99/44/03/343994403.db2.gz UCQJAVPSLMLHRO-UHFFFAOYSA-N 1 2 249.314 1.559 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCF ZINC000580901849 398250752 /nfs/dbraw/zinc/25/07/52/398250752.db2.gz CYENAVQXHWKUMB-SECBINFHSA-N 1 2 227.283 1.454 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCF ZINC000580901849 398250754 /nfs/dbraw/zinc/25/07/54/398250754.db2.gz CYENAVQXHWKUMB-SECBINFHSA-N 1 2 227.283 1.454 20 0 BDADLO CCN1C[C@H](C)[NH+](Cc2ncccc2O)[C@@H](C)C1 ZINC000576645066 365649597 /nfs/dbraw/zinc/64/95/97/365649597.db2.gz SFBZNRIRFNDZQL-RYUDHWBXSA-N 1 2 249.358 1.702 20 0 BDADLO CCc1ncnc(NCc2c[nH+]cn2C)c1F ZINC000291265071 538947479 /nfs/dbraw/zinc/94/74/79/538947479.db2.gz ZJZBAMDZUBXUHE-UHFFFAOYSA-N 1 2 235.266 1.524 20 0 BDADLO CC(C)CCCNC(=O)NCc1c[nH+]cn1C ZINC000290578304 538947056 /nfs/dbraw/zinc/94/70/56/538947056.db2.gz BRZBIKUJVAFLKT-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO CC(C)n1cnc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291151342 538947780 /nfs/dbraw/zinc/94/77/80/538947780.db2.gz GYGCMTZRFOYACP-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO Cc1ccsc1C(=O)NCc1c[nH+]cn1C ZINC000291216148 538947465 /nfs/dbraw/zinc/94/74/65/538947465.db2.gz GFDMFOZWMDPIFA-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619373222 343999065 /nfs/dbraw/zinc/99/90/65/343999065.db2.gz UCRRBZZAYVPMCZ-IJLUTSLNSA-N 1 2 245.326 1.314 20 0 BDADLO COC(=O)c1cc(C[N@H+](C)Cc2ccc[nH]2)on1 ZINC000602487400 349569443 /nfs/dbraw/zinc/56/94/43/349569443.db2.gz ZPEPAHIVFSYMKR-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc[nH]2)on1 ZINC000602487400 349569446 /nfs/dbraw/zinc/56/94/46/349569446.db2.gz ZPEPAHIVFSYMKR-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO Cc1csc(C[N@@H+](CC(N)=O)C(C)C)n1 ZINC000081646316 398270446 /nfs/dbraw/zinc/27/04/46/398270446.db2.gz BMBPEBXLQQNPHD-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO Cc1csc(C[N@H+](CC(N)=O)C(C)C)n1 ZINC000081646316 398270447 /nfs/dbraw/zinc/27/04/47/398270447.db2.gz BMBPEBXLQQNPHD-UHFFFAOYSA-N 1 2 227.333 1.147 20 0 BDADLO CCOC(=O)c1ccc(C[NH2+]Cc2cocn2)[nH]1 ZINC000602545492 349589602 /nfs/dbraw/zinc/58/96/02/349589602.db2.gz DIRIQVQRQBSEDE-UHFFFAOYSA-N 1 2 249.270 1.469 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000180257396 538957601 /nfs/dbraw/zinc/95/76/01/538957601.db2.gz JWNODXHTEZGPDL-QWRGUYRKSA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000180257396 538957603 /nfs/dbraw/zinc/95/76/03/538957603.db2.gz JWNODXHTEZGPDL-QWRGUYRKSA-N 1 2 237.347 1.592 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000602549252 349591509 /nfs/dbraw/zinc/59/15/09/349591509.db2.gz UVWLLOHAFZJRTK-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO CC1(C(=O)Nc2c[nH+]c3n2CCCC3)CC1 ZINC000334666442 398272934 /nfs/dbraw/zinc/27/29/34/398272934.db2.gz PYACCMLVGDIUDI-UHFFFAOYSA-N 1 2 219.288 1.958 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000602588845 349613619 /nfs/dbraw/zinc/61/36/19/349613619.db2.gz ABXPLPBOZZCHQH-MNOVXSKESA-N 1 2 245.363 1.979 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1cncnc1 ZINC000182028690 538961639 /nfs/dbraw/zinc/96/16/39/538961639.db2.gz ATUOSCLWCQLDGR-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1cncnc1 ZINC000182028690 538961640 /nfs/dbraw/zinc/96/16/40/538961640.db2.gz ATUOSCLWCQLDGR-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)ccn1 ZINC000583927949 342726724 /nfs/dbraw/zinc/72/67/24/342726724.db2.gz ZAGNHESTRQSKNI-UHFFFAOYSA-N 1 2 242.282 1.284 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171966211 534924562 /nfs/dbraw/zinc/92/45/62/534924562.db2.gz NJAADZYAXXQBQJ-NEPJUHHUSA-N 1 2 242.363 1.115 20 0 BDADLO O=C1C[N@H+](Cc2cccc3cnccc32)CCN1 ZINC000182962897 538965057 /nfs/dbraw/zinc/96/50/57/538965057.db2.gz RNUFJORRRNFLBO-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO O=C1C[N@@H+](Cc2cccc3cnccc32)CCN1 ZINC000182962897 538965058 /nfs/dbraw/zinc/96/50/58/538965058.db2.gz RNUFJORRRNFLBO-UHFFFAOYSA-N 1 2 241.294 1.167 20 0 BDADLO COc1ccc[nH+]c1N1CCCOCC1 ZINC000527532642 262853958 /nfs/dbraw/zinc/85/39/58/262853958.db2.gz JXXGDCSHHLMRSZ-UHFFFAOYSA-N 1 2 208.261 1.317 20 0 BDADLO CCCSCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000569635633 323011942 /nfs/dbraw/zinc/01/19/42/323011942.db2.gz BWSZPQSQYAJOIH-MRVPVSSYSA-N 1 2 227.333 1.730 20 0 BDADLO CC[C@@H](C[C@H](C)CO)Nc1cc[nH+]c(C)n1 ZINC000309629170 342760160 /nfs/dbraw/zinc/76/01/60/342760160.db2.gz GONDUIZTIAWZAN-ONGXEEELSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1cccnc1C[NH+]1CCC(=O)CC1 ZINC000070909001 361877773 /nfs/dbraw/zinc/87/77/73/361877773.db2.gz XXBSAXAEYASFEU-UHFFFAOYSA-N 1 2 204.273 1.555 20 0 BDADLO CC(C)Oc1ncccc1C[NH2+]Cc1cc[nH]n1 ZINC000042391572 342774766 /nfs/dbraw/zinc/77/47/66/342774766.db2.gz DYTSYHOGOYJUQF-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1(C(F)F)CC1 ZINC000348765748 136238476 /nfs/dbraw/zinc/23/84/76/136238476.db2.gz TZJIGUZFAANIKU-UHFFFAOYSA-N 1 2 243.257 1.435 20 0 BDADLO COCC[C@H](C)Nc1c[nH+]cc(N(C)C)c1 ZINC000634576751 342782202 /nfs/dbraw/zinc/78/22/02/342782202.db2.gz ZRRJAQQBCVWTQX-JTQLQIEISA-N 1 2 223.320 1.985 20 0 BDADLO Cc1cc(C)nc(NCCCn2cc[nH+]c2)n1 ZINC000008020333 342795728 /nfs/dbraw/zinc/79/57/28/342795728.db2.gz TYJWUWKIEVAZIC-UHFFFAOYSA-N 1 2 231.303 1.792 20 0 BDADLO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(N)=O ZINC000634580630 342796198 /nfs/dbraw/zinc/79/61/98/342796198.db2.gz IGQDHXRRELHHAD-OIBJUYFYSA-N 1 2 228.242 1.300 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)n1 ZINC000634582597 342798441 /nfs/dbraw/zinc/79/84/41/342798441.db2.gz WVOBMESNNDLAAK-SCZZXKLOSA-N 1 2 247.302 1.760 20 0 BDADLO CCc1cc(N[C@H]2CC(=O)N(CC)C2)nc[nH+]1 ZINC000391637636 398286313 /nfs/dbraw/zinc/28/63/13/398286313.db2.gz PFFFVDAZAXYVKC-JTQLQIEISA-N 1 2 234.303 1.072 20 0 BDADLO C/C=C/CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000624656459 342810160 /nfs/dbraw/zinc/81/01/60/342810160.db2.gz QISKOAZGQBOJEN-VOTSOKGWSA-N 1 2 235.335 1.471 20 0 BDADLO C/C=C/CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000624656459 342810162 /nfs/dbraw/zinc/81/01/62/342810162.db2.gz QISKOAZGQBOJEN-VOTSOKGWSA-N 1 2 235.335 1.471 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624653844 342810577 /nfs/dbraw/zinc/81/05/77/342810577.db2.gz DJACIBZPFQCUNF-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624653844 342810579 /nfs/dbraw/zinc/81/05/79/342810579.db2.gz DJACIBZPFQCUNF-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1C ZINC000042511855 538978352 /nfs/dbraw/zinc/97/83/52/538978352.db2.gz PBMSCTJXNWIGBD-KXUCPTDWSA-N 1 2 207.277 1.044 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2)CCO1 ZINC000624653901 342810821 /nfs/dbraw/zinc/81/08/21/342810821.db2.gz QKFZDGJUTOUMTB-GFCCVEGCSA-N 1 2 248.326 1.137 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2)CCO1 ZINC000624653901 342810822 /nfs/dbraw/zinc/81/08/22/342810822.db2.gz QKFZDGJUTOUMTB-GFCCVEGCSA-N 1 2 248.326 1.137 20 0 BDADLO CO[C@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000624732039 342823534 /nfs/dbraw/zinc/82/35/34/342823534.db2.gz OHQPNPHGRFKOAO-IZLXSQMJSA-N 1 2 228.683 1.302 20 0 BDADLO CO[C@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000624732039 342823535 /nfs/dbraw/zinc/82/35/35/342823535.db2.gz OHQPNPHGRFKOAO-IZLXSQMJSA-N 1 2 228.683 1.302 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cncs1 ZINC000335464438 398289752 /nfs/dbraw/zinc/28/97/52/398289752.db2.gz CDPKLEDKUXNKSW-RFAUZJTJSA-N 1 2 244.385 1.486 20 0 BDADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cncs1 ZINC000335464438 398289754 /nfs/dbraw/zinc/28/97/54/398289754.db2.gz CDPKLEDKUXNKSW-RFAUZJTJSA-N 1 2 244.385 1.486 20 0 BDADLO C/C=C/CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000624820244 342833871 /nfs/dbraw/zinc/83/38/71/342833871.db2.gz KPGPSVZXFOWJIY-ONEGZZNKSA-N 1 2 208.265 1.127 20 0 BDADLO C/C=C/CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000624820244 342833873 /nfs/dbraw/zinc/83/38/73/342833873.db2.gz KPGPSVZXFOWJIY-ONEGZZNKSA-N 1 2 208.265 1.127 20 0 BDADLO COC[C@]1(C)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000624774282 342827517 /nfs/dbraw/zinc/82/75/17/342827517.db2.gz SGFCJKGKLCHDTF-LBPRGKRZSA-N 1 2 237.303 1.027 20 0 BDADLO CC1(C)CCCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000380333494 538989147 /nfs/dbraw/zinc/98/91/47/538989147.db2.gz PCWJYHRHRLVHGU-SNVBAGLBSA-N 1 2 208.309 1.863 20 0 BDADLO CC1(C)CCCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000380333494 538989148 /nfs/dbraw/zinc/98/91/48/538989148.db2.gz PCWJYHRHRLVHGU-SNVBAGLBSA-N 1 2 208.309 1.863 20 0 BDADLO [NH3+][C@@H](C(=O)N1CCCCC1)c1cscn1 ZINC000335479616 398290967 /nfs/dbraw/zinc/29/09/67/398290967.db2.gz WMJLMOKWNQUNAW-SECBINFHSA-N 1 2 225.317 1.155 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000188851749 538979848 /nfs/dbraw/zinc/97/98/48/538979848.db2.gz YELDRMGIPRVZII-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000188851749 538979849 /nfs/dbraw/zinc/97/98/49/538979849.db2.gz YELDRMGIPRVZII-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO c1cc(N2CC3(C2)CCCO3)nc(C2CC2)[nH+]1 ZINC000624542941 344004590 /nfs/dbraw/zinc/00/45/90/344004590.db2.gz COXUYUAEPYYGAI-UHFFFAOYSA-N 1 2 231.299 1.723 20 0 BDADLO CN(C)c1ncc(C[NH+]2CC3(CC3)C2)cn1 ZINC000449370006 398291700 /nfs/dbraw/zinc/29/17/00/398291700.db2.gz HHCWFOHTYNQAGQ-UHFFFAOYSA-N 1 2 218.304 1.138 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000189482404 538983483 /nfs/dbraw/zinc/98/34/83/538983483.db2.gz YLQDPOFBJIKDHD-RYUDHWBXSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000189482404 538983484 /nfs/dbraw/zinc/98/34/84/538983484.db2.gz YLQDPOFBJIKDHD-RYUDHWBXSA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000381462967 539001071 /nfs/dbraw/zinc/00/10/71/539001071.db2.gz LQIGNFJHDMBLDG-SNVBAGLBSA-N 1 2 221.304 1.205 20 0 BDADLO COc1ccc(NCc2n[nH]cc2C)[nH+]c1 ZINC000381578242 539003947 /nfs/dbraw/zinc/00/39/47/539003947.db2.gz DBSKIBQVWYBYCR-UHFFFAOYSA-N 1 2 218.260 1.734 20 0 BDADLO Cc1cc(N2CC3(C2)CCCO3)nc[nH+]1 ZINC000624543294 344005246 /nfs/dbraw/zinc/00/52/46/344005246.db2.gz WDRDHFYLSUQFJP-UHFFFAOYSA-N 1 2 205.261 1.154 20 0 BDADLO Cc1nc(N[C@H](C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000390181799 539020233 /nfs/dbraw/zinc/02/02/33/539020233.db2.gz JZBNPSMEWCLSKJ-KOLCDFICSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCCOCC1 ZINC000649501748 398296773 /nfs/dbraw/zinc/29/67/73/398296773.db2.gz QZAGCGUKGDTQSB-UHFFFAOYSA-N 1 2 213.306 1.069 20 0 BDADLO Cc1nnsc1C[N@H+]1CCCOCC1 ZINC000649501748 398296774 /nfs/dbraw/zinc/29/67/74/398296774.db2.gz QZAGCGUKGDTQSB-UHFFFAOYSA-N 1 2 213.306 1.069 20 0 BDADLO CC(C)C([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)C ZINC000392361280 539028117 /nfs/dbraw/zinc/02/81/17/539028117.db2.gz BLHHYDQPZKIWPR-UHFFFAOYSA-N 1 2 212.297 1.281 20 0 BDADLO O[C@@H]1CCCC[C@@H]1c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755135 361993449 /nfs/dbraw/zinc/99/34/49/361993449.db2.gz TUXJPTYAWAZBQZ-MWLCHTKSSA-N 1 2 247.302 1.068 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cs1 ZINC000335645153 136243334 /nfs/dbraw/zinc/24/33/34/136243334.db2.gz AYIKVTGRZWPRCX-ZYHUDNBSSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cs1 ZINC000335645153 136243335 /nfs/dbraw/zinc/24/33/35/136243335.db2.gz AYIKVTGRZWPRCX-ZYHUDNBSSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000335645700 136243952 /nfs/dbraw/zinc/24/39/52/136243952.db2.gz IICXZTGWNTWNHG-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)o1 ZINC000335645700 136243953 /nfs/dbraw/zinc/24/39/53/136243953.db2.gz IICXZTGWNTWNHG-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO CCOCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583997440 342864113 /nfs/dbraw/zinc/86/41/13/342864113.db2.gz HTFOQLVJANGFRZ-LLVKDONJSA-N 1 2 239.319 1.377 20 0 BDADLO C[C@H]([NH2+]Cc1cnns1)c1ccccn1 ZINC000308928079 342877077 /nfs/dbraw/zinc/87/70/77/342877077.db2.gz QNSYRNRKKIKJTC-QMMMGPOBSA-N 1 2 220.301 1.784 20 0 BDADLO COCCC[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625105863 342858282 /nfs/dbraw/zinc/85/82/82/342858282.db2.gz KOUHUPPKNMMQNC-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO COCCC[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625105863 342858283 /nfs/dbraw/zinc/85/82/83/342858283.db2.gz KOUHUPPKNMMQNC-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccccc1)CC2 ZINC000363717505 398320999 /nfs/dbraw/zinc/32/09/99/398320999.db2.gz GJQMIAAFFBOOEU-UHFFFAOYSA-N 1 2 241.294 1.848 20 0 BDADLO CC[C@H](CSC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763520 529410305 /nfs/dbraw/zinc/41/03/05/529410305.db2.gz JJDKKSODYWISHD-XRVBUDJMSA-N 1 2 239.344 1.681 20 0 BDADLO CC[N@@H+](Cc1noc(CCOC)n1)CC1CC1 ZINC000351474811 136245972 /nfs/dbraw/zinc/24/59/72/136245972.db2.gz HBBDSCXDTZYUDV-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC[N@H+](Cc1noc(CCOC)n1)CC1CC1 ZINC000351474811 136245973 /nfs/dbraw/zinc/24/59/73/136245973.db2.gz HBBDSCXDTZYUDV-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)[C@H](C)CO1 ZINC000045784606 342923271 /nfs/dbraw/zinc/92/32/71/342923271.db2.gz DLJNOIAJXGSSBR-NXEZZACHSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)[C@H](C)CO1 ZINC000045784606 342923272 /nfs/dbraw/zinc/92/32/72/342923272.db2.gz DLJNOIAJXGSSBR-NXEZZACHSA-N 1 2 228.336 1.010 20 0 BDADLO CCO[C@@H](C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000625239509 342927958 /nfs/dbraw/zinc/92/79/58/342927958.db2.gz QUFDIELVIOFZFG-LLVKDONJSA-N 1 2 239.319 1.097 20 0 BDADLO CC[C@](C)(OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000234126253 342917247 /nfs/dbraw/zinc/91/72/47/342917247.db2.gz NKJMLSULMQKZNT-KCJUWKMLSA-N 1 2 225.292 1.402 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2noc(C)n2)CC[C@H]1C ZINC000351625841 136248690 /nfs/dbraw/zinc/24/86/90/136248690.db2.gz CHIRMRYXMKDWLX-FXPVBKGRSA-N 1 2 239.319 1.796 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2noc(C)n2)CC[C@H]1C ZINC000351625841 136248691 /nfs/dbraw/zinc/24/86/91/136248691.db2.gz CHIRMRYXMKDWLX-FXPVBKGRSA-N 1 2 239.319 1.796 20 0 BDADLO CSCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000353961989 398329032 /nfs/dbraw/zinc/32/90/32/398329032.db2.gz QBYNYSYYMXCTFL-UHFFFAOYSA-N 1 2 241.360 1.602 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000602645275 349657063 /nfs/dbraw/zinc/65/70/63/349657063.db2.gz QYVKLBKFWMEQSU-XVMARJQXSA-N 1 2 207.220 1.181 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)ccc1F ZINC000123450467 398338228 /nfs/dbraw/zinc/33/82/28/398338228.db2.gz OONVFUQEGVZBRM-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)ccc1F ZINC000123450467 398338229 /nfs/dbraw/zinc/33/82/29/398338229.db2.gz OONVFUQEGVZBRM-SNVBAGLBSA-N 1 2 236.290 1.454 20 0 BDADLO Cc1nc(N(C)[C@H](C)C2(C)CC2)nc(N)[nH+]1 ZINC000385595257 398338357 /nfs/dbraw/zinc/33/83/57/398338357.db2.gz CIDZFCQOTMKWCG-SSDOTTSWSA-N 1 2 221.308 1.217 20 0 BDADLO Cc1nc(N)nc(N(C)[C@H](C)C2(C)CC2)[nH+]1 ZINC000385595257 398338358 /nfs/dbraw/zinc/33/83/58/398338358.db2.gz CIDZFCQOTMKWCG-SSDOTTSWSA-N 1 2 221.308 1.217 20 0 BDADLO COCC[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017053 398332926 /nfs/dbraw/zinc/33/29/26/398332926.db2.gz VDIAZAWIWCIPCF-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO COCC[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017053 398332927 /nfs/dbraw/zinc/33/29/27/398332927.db2.gz VDIAZAWIWCIPCF-YUMQZZPRSA-N 1 2 227.226 1.284 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)C(F)F ZINC000392721527 398335040 /nfs/dbraw/zinc/33/50/40/398335040.db2.gz PRMILFQGKBIVLK-ZCFIWIBFSA-N 1 2 202.204 1.530 20 0 BDADLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)C2)[nH]1 ZINC000602673439 349667566 /nfs/dbraw/zinc/66/75/66/349667566.db2.gz BNCVUPGCPZAXJS-SECBINFHSA-N 1 2 240.278 1.735 20 0 BDADLO CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](F)C2)[nH]1 ZINC000602673439 349667568 /nfs/dbraw/zinc/66/75/68/349667568.db2.gz BNCVUPGCPZAXJS-SECBINFHSA-N 1 2 240.278 1.735 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1(C)CCC1 ZINC000234786177 342942388 /nfs/dbraw/zinc/94/23/88/342942388.db2.gz STEIEKPLAMRIDF-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1(C)CCC1 ZINC000234786177 342942390 /nfs/dbraw/zinc/94/23/90/342942390.db2.gz STEIEKPLAMRIDF-UHFFFAOYSA-N 1 2 222.292 1.670 20 0 BDADLO CC(C)(C)C(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000075676208 344015234 /nfs/dbraw/zinc/01/52/34/344015234.db2.gz MAFBHWHAETURKH-SNAWJCMRSA-N 1 2 244.766 1.929 20 0 BDADLO CC[C@@](C)(CNC(=O)C=Cc1c[nH]c[nH+]1)OC ZINC000493058077 529496835 /nfs/dbraw/zinc/49/68/35/529496835.db2.gz HEGWMCFXTZYYBC-FJOGCWAESA-N 1 2 237.303 1.354 20 0 BDADLO CC(C)c1nc(N2CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000678064393 488190495 /nfs/dbraw/zinc/19/04/95/488190495.db2.gz ZWZSRBIDSFXQHQ-VIFPVBQESA-N 1 2 235.335 1.660 20 0 BDADLO COC(=O)c1csc(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000562542329 323023497 /nfs/dbraw/zinc/02/34/97/323023497.db2.gz ZWGQAINHTZQERP-HTQZYQBOSA-N 1 2 240.328 1.912 20 0 BDADLO CC[C@@]1(C)COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493501110 529532810 /nfs/dbraw/zinc/53/28/10/529532810.db2.gz UFJQBWKDDYPHLQ-IHVVCDCBSA-N 1 2 249.314 1.450 20 0 BDADLO Cc1nc(C(=O)NCc2[nH]cc[nH+]2)sc1C ZINC000683549729 488192623 /nfs/dbraw/zinc/19/26/23/488192623.db2.gz OGBCNOBJVLMCHO-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCCCCF ZINC000493755445 529558547 /nfs/dbraw/zinc/55/85/47/529558547.db2.gz LXNVTHGDMFYEHQ-WAYWQWQTSA-N 1 2 239.294 1.782 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC1C[C@H]2C[C@H]2C1 ZINC000493138514 529559091 /nfs/dbraw/zinc/55/90/91/529559091.db2.gz ILWQOUJMIITNGN-MNFYAABJSA-N 1 2 245.326 1.831 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NOCC(F)F ZINC000492601526 529559386 /nfs/dbraw/zinc/55/93/86/529559386.db2.gz DXDXESAZZLCODN-ARJAWSKDSA-N 1 2 245.229 1.229 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CC12CC2 ZINC000493163281 529560196 /nfs/dbraw/zinc/56/01/96/529560196.db2.gz UJAGPOHLPXVUTC-UMBAGQNISA-N 1 2 231.299 1.585 20 0 BDADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)O ZINC000493205196 529573093 /nfs/dbraw/zinc/57/30/93/529573093.db2.gz KEPCDMUSZDVDHK-WWQCOOJYSA-N 1 2 237.303 1.089 20 0 BDADLO CC[C@@](C)([NH2+]Cc1cc[nH]c(=O)c1)C(=O)OC ZINC000602800057 349740558 /nfs/dbraw/zinc/74/05/58/349740558.db2.gz PMUWKYIFVAKWCD-GFCCVEGCSA-N 1 2 238.287 1.219 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000602763850 349734431 /nfs/dbraw/zinc/73/44/31/349734431.db2.gz FBFVXUBHJPKREB-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000602763850 349734433 /nfs/dbraw/zinc/73/44/33/349734433.db2.gz FBFVXUBHJPKREB-QMMMGPOBSA-N 1 2 221.247 1.527 20 0 BDADLO CC[C@@H]([NH2+]Cc1cccs1)C(=O)OC ZINC000037966924 343021649 /nfs/dbraw/zinc/02/16/49/343021649.db2.gz ATYHPWQAPXUIRL-SECBINFHSA-N 1 2 213.302 1.789 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)C(C)C ZINC000602809423 349753179 /nfs/dbraw/zinc/75/31/79/349753179.db2.gz HKTWKFPNGZJQGW-MNOVXSKESA-N 1 2 243.347 1.589 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCO[C@](C)(CC)C1 ZINC000602814080 349756527 /nfs/dbraw/zinc/75/65/27/349756527.db2.gz CBXMHFYDQGKTPZ-GFCCVEGCSA-N 1 2 225.336 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCO[C@](C)(CC)C1 ZINC000602814080 349756531 /nfs/dbraw/zinc/75/65/31/349756531.db2.gz CBXMHFYDQGKTPZ-GFCCVEGCSA-N 1 2 225.336 1.290 20 0 BDADLO CCN(C#N)CC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000602817325 349758639 /nfs/dbraw/zinc/75/86/39/349758639.db2.gz AYTXAYGXIPPELL-NSHDSACASA-N 1 2 225.336 1.289 20 0 BDADLO CCN(C#N)CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000602817325 349758641 /nfs/dbraw/zinc/75/86/41/349758641.db2.gz AYTXAYGXIPPELL-NSHDSACASA-N 1 2 225.336 1.289 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1nccs1 ZINC000683563825 488196323 /nfs/dbraw/zinc/19/63/23/488196323.db2.gz UKBNMXVMORVZTJ-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1nccs1 ZINC000683563825 488196325 /nfs/dbraw/zinc/19/63/25/488196325.db2.gz UKBNMXVMORVZTJ-DTORHVGOSA-N 1 2 239.344 1.308 20 0 BDADLO Cc1nc(NCC(C)(C)C(C)(C)C)nc(N)[nH+]1 ZINC000384063677 343034709 /nfs/dbraw/zinc/03/47/09/343034709.db2.gz UBBFNDCZZSAUBU-UHFFFAOYSA-N 1 2 237.351 1.499 20 0 BDADLO Cc1nc(N)nc(NCC(C)(C)C(C)(C)C)[nH+]1 ZINC000384063677 343034710 /nfs/dbraw/zinc/03/47/10/343034710.db2.gz UBBFNDCZZSAUBU-UHFFFAOYSA-N 1 2 237.351 1.499 20 0 BDADLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(C)=O)CC1CC1 ZINC000602848537 349784085 /nfs/dbraw/zinc/78/40/85/349784085.db2.gz VZZYFZZZZKPOGF-ZDUSSCGKSA-N 1 2 241.331 1.629 20 0 BDADLO CC[C@@](C)(C(=O)OC)[N@H+](CC(C)=O)CC1CC1 ZINC000602848537 349784086 /nfs/dbraw/zinc/78/40/86/349784086.db2.gz VZZYFZZZZKPOGF-ZDUSSCGKSA-N 1 2 241.331 1.629 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000602832916 349768593 /nfs/dbraw/zinc/76/85/93/349768593.db2.gz UDFQQVSMEUXBPP-HLTSFMKQSA-N 1 2 238.287 1.862 20 0 BDADLO COC(=O)c1coc([C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000602832916 349768595 /nfs/dbraw/zinc/76/85/95/349768595.db2.gz UDFQQVSMEUXBPP-HLTSFMKQSA-N 1 2 238.287 1.862 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000169798390 343044392 /nfs/dbraw/zinc/04/43/92/343044392.db2.gz ZOWIUCCMSUQQOI-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H]1C1CC1 ZINC000634633293 343044877 /nfs/dbraw/zinc/04/48/77/343044877.db2.gz QLNOTQDAAJSZMY-GFCCVEGCSA-N 1 2 246.314 1.518 20 0 BDADLO CCC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H]1C ZINC000634634242 343046972 /nfs/dbraw/zinc/04/69/72/343046972.db2.gz SJXSLDBGSLNTBW-SNVBAGLBSA-N 1 2 234.303 1.518 20 0 BDADLO CCc1[nH]n(CCCn2cc[nH+]c2)c(=O)c1C ZINC000634634242 343046973 /nfs/dbraw/zinc/04/69/73/343046973.db2.gz SJXSLDBGSLNTBW-SNVBAGLBSA-N 1 2 234.303 1.518 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H]1C ZINC000634634504 343047391 /nfs/dbraw/zinc/04/73/91/343047391.db2.gz ZZCCOLOYTNDBQD-SECBINFHSA-N 1 2 220.276 1.127 20 0 BDADLO Cc1[nH]n(CCCn2cc[nH+]c2)c(=O)c1C ZINC000634634504 343047395 /nfs/dbraw/zinc/04/73/95/343047395.db2.gz ZZCCOLOYTNDBQD-SECBINFHSA-N 1 2 220.276 1.127 20 0 BDADLO CCOC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000384112639 343051182 /nfs/dbraw/zinc/05/11/82/343051182.db2.gz LBEFFHZKAQHCIJ-MRVPVSSYSA-N 1 2 225.292 1.402 20 0 BDADLO CC1(C)C[N@H+](Cc2csnn2)CC[C@@H]1O ZINC000308815310 346922815 /nfs/dbraw/zinc/92/28/15/346922815.db2.gz PCDFTRBARIQKMR-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[N@@H+](Cc2csnn2)CC[C@@H]1O ZINC000308815310 346922816 /nfs/dbraw/zinc/92/28/16/346922816.db2.gz PCDFTRBARIQKMR-VIFPVBQESA-N 1 2 227.333 1.131 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@]12CCOC(C)(C)C2 ZINC000634533685 362027848 /nfs/dbraw/zinc/02/78/48/362027848.db2.gz MITPEICOGVBGOZ-LBPRGKRZSA-N 1 2 226.320 1.114 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@]12CCOC(C)(C)C2 ZINC000634533685 362027852 /nfs/dbraw/zinc/02/78/52/362027852.db2.gz MITPEICOGVBGOZ-LBPRGKRZSA-N 1 2 226.320 1.114 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1cncs1 ZINC000678127956 488201735 /nfs/dbraw/zinc/20/17/35/488201735.db2.gz XEWDHAPFTFNOSN-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C/C=C\c1cn(Cc2[nH+]ccn2C(F)F)nn1 ZINC000640953025 362096905 /nfs/dbraw/zinc/09/69/05/362096905.db2.gz FXWWJGKNTOKIIB-IHWYPQMZSA-N 1 2 239.229 1.951 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)[C@H](C)O1 ZINC000394978088 362103571 /nfs/dbraw/zinc/10/35/71/362103571.db2.gz COFASXOBGGCSAV-WEDXCCLWSA-N 1 2 247.302 1.341 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(COC2CCC2)no1 ZINC000634671363 343111912 /nfs/dbraw/zinc/11/19/12/343111912.db2.gz CZQUXIQANULBHW-UHFFFAOYSA-N 1 2 248.286 1.463 20 0 BDADLO CCC[C@@H](C)n1cc(C[N@H+](C)CCOC)nn1 ZINC000640942424 362084918 /nfs/dbraw/zinc/08/49/18/362084918.db2.gz SLPQFVXVKYRODV-LLVKDONJSA-N 1 2 240.351 1.717 20 0 BDADLO CCC[C@@H](C)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000640942424 362084921 /nfs/dbraw/zinc/08/49/21/362084921.db2.gz SLPQFVXVKYRODV-LLVKDONJSA-N 1 2 240.351 1.717 20 0 BDADLO CCC[C@@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000640944169 362089706 /nfs/dbraw/zinc/08/97/06/362089706.db2.gz HCCYNYIWNMEQTA-SNVBAGLBSA-N 1 2 226.324 1.063 20 0 BDADLO CCC[C@@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000640944169 362089713 /nfs/dbraw/zinc/08/97/13/362089713.db2.gz HCCYNYIWNMEQTA-SNVBAGLBSA-N 1 2 226.324 1.063 20 0 BDADLO CC(C)=CCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640944300 362090921 /nfs/dbraw/zinc/09/09/21/362090921.db2.gz CUDNYFYGHOOFRR-GFCCVEGCSA-N 1 2 236.319 1.295 20 0 BDADLO C[C@H](NC(=O)N[C@@H](C)C(F)F)c1[nH+]ccn1C ZINC000640998114 362110482 /nfs/dbraw/zinc/11/04/82/362110482.db2.gz ZMBBQQLYJDAUSS-BQBZGAKWSA-N 1 2 246.261 1.434 20 0 BDADLO CCc1nc(C[N@H+](C)C[C@H](O)COC)cs1 ZINC000050119146 343134489 /nfs/dbraw/zinc/13/44/89/343134489.db2.gz QGXIXRSNKGELKU-JTQLQIEISA-N 1 2 244.360 1.145 20 0 BDADLO CCc1nc(C[N@@H+](C)C[C@H](O)COC)cs1 ZINC000050119146 343134491 /nfs/dbraw/zinc/13/44/91/343134491.db2.gz QGXIXRSNKGELKU-JTQLQIEISA-N 1 2 244.360 1.145 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCSC1)n1cc[nH+]c1 ZINC000576947037 365729622 /nfs/dbraw/zinc/72/96/22/365729622.db2.gz HFWZIKHRRYYHRR-NXEZZACHSA-N 1 2 239.344 1.456 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cnns1 ZINC000625268360 343162666 /nfs/dbraw/zinc/16/26/66/343162666.db2.gz YEVLNKBELPEVON-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cnns1 ZINC000625268360 343162669 /nfs/dbraw/zinc/16/26/69/343162669.db2.gz YEVLNKBELPEVON-MRVPVSSYSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCCOC1)c1[nH]cc[nH+]1 ZINC000125353563 343173087 /nfs/dbraw/zinc/17/30/87/343173087.db2.gz SUGXARYKDBVVHE-RKDXNWHRSA-N 1 2 223.276 1.014 20 0 BDADLO CO[C@@H](C)CCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125397756 343173582 /nfs/dbraw/zinc/17/35/82/343173582.db2.gz RDOFRLMHRPFQKE-DTWKUNHWSA-N 1 2 225.292 1.402 20 0 BDADLO CCOCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125415850 343173666 /nfs/dbraw/zinc/17/36/66/343173666.db2.gz HFODENCZVVSKFA-SECBINFHSA-N 1 2 225.292 1.404 20 0 BDADLO O=C(CCC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427989130 259357207 /nfs/dbraw/zinc/35/72/07/259357207.db2.gz AJEQWWKISNXALS-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1ccncc1 ZINC000134828414 343195511 /nfs/dbraw/zinc/19/55/11/343195511.db2.gz SMUISZAVXGZBMM-UHFFFAOYSA-N 1 2 245.286 1.099 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1ccncc1 ZINC000134828414 343195513 /nfs/dbraw/zinc/19/55/13/343195513.db2.gz SMUISZAVXGZBMM-UHFFFAOYSA-N 1 2 245.286 1.099 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000625312995 343231036 /nfs/dbraw/zinc/23/10/36/343231036.db2.gz HSXNTOBWPIOZHB-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000625312995 343231038 /nfs/dbraw/zinc/23/10/38/343231038.db2.gz HSXNTOBWPIOZHB-KOLCDFICSA-N 1 2 239.294 1.665 20 0 BDADLO COc1cncc(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000625316743 343231660 /nfs/dbraw/zinc/23/16/60/343231660.db2.gz IGRMEUKLOZVARJ-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO C[C@@H](CO)[C@H](C)[NH2+]Cc1noc(C2CCC2)n1 ZINC000625322352 343234765 /nfs/dbraw/zinc/23/47/65/343234765.db2.gz DKGYCNAIOKOGKB-IUCAKERBSA-N 1 2 239.319 1.444 20 0 BDADLO COC1CC(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000625355438 343247419 /nfs/dbraw/zinc/24/74/19/343247419.db2.gz CTLCMFXQVGXJRV-UHFFFAOYSA-N 1 2 220.272 1.175 20 0 BDADLO CC(C)c1nc(N[C@@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000569719684 323038959 /nfs/dbraw/zinc/03/89/59/323038959.db2.gz VSDFFFYQTCAVQC-ZJUUUORDSA-N 1 2 221.304 1.611 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCc2ccsc2C1 ZINC000121253802 343266008 /nfs/dbraw/zinc/26/60/08/343266008.db2.gz MMVLMRRDAAKXHV-UHFFFAOYSA-N 1 2 247.323 1.530 20 0 BDADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000121545289 343267716 /nfs/dbraw/zinc/26/77/16/343267716.db2.gz UKUDFJQMJBAXSI-VIFPVBQESA-N 1 2 221.304 1.125 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000036427317 343318627 /nfs/dbraw/zinc/31/86/27/343318627.db2.gz RIKJQXYTDSEMTK-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000036427317 343318630 /nfs/dbraw/zinc/31/86/30/343318630.db2.gz RIKJQXYTDSEMTK-LBPRGKRZSA-N 1 2 234.299 1.609 20 0 BDADLO COCCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641058513 362168961 /nfs/dbraw/zinc/16/89/61/362168961.db2.gz ZPBHPZFEDMFCDW-UHFFFAOYSA-N 1 2 249.318 1.340 20 0 BDADLO OC[C@H]([NH2+]Cc1ccno1)c1ccsc1 ZINC000379928677 365741291 /nfs/dbraw/zinc/74/12/91/365741291.db2.gz MYCULBGVUYBVDP-JTQLQIEISA-N 1 2 224.285 1.559 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000177576837 346932768 /nfs/dbraw/zinc/93/27/68/346932768.db2.gz SMZLKZDRMNXQOL-VIFPVBQESA-N 1 2 219.350 1.621 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000177576837 346932770 /nfs/dbraw/zinc/93/27/70/346932770.db2.gz SMZLKZDRMNXQOL-VIFPVBQESA-N 1 2 219.350 1.621 20 0 BDADLO c1[nH]cc(C2CCN(c3cccnn3)CC2)[nH+]1 ZINC000584044583 343306174 /nfs/dbraw/zinc/30/61/74/343306174.db2.gz IONYHYYZVJZYAE-UHFFFAOYSA-N 1 2 229.287 1.584 20 0 BDADLO c1[nH]c(C2CCN(c3cccnn3)CC2)c[nH+]1 ZINC000584044583 343306177 /nfs/dbraw/zinc/30/61/77/343306177.db2.gz IONYHYYZVJZYAE-UHFFFAOYSA-N 1 2 229.287 1.584 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2cc(C)on2)c1 ZINC000214116831 343307762 /nfs/dbraw/zinc/30/77/62/343307762.db2.gz NKRDAEUDKRUKJY-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CCOCc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641050983 362163827 /nfs/dbraw/zinc/16/38/27/362163827.db2.gz HZELNHLMDKDCAT-UHFFFAOYSA-N 1 2 232.287 1.566 20 0 BDADLO CCO[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000625372056 343359423 /nfs/dbraw/zinc/35/94/23/343359423.db2.gz WWJPBMJJPBHGLU-NSHDSACASA-N 1 2 237.303 1.183 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1ccccc1F ZINC000037988998 343364194 /nfs/dbraw/zinc/36/41/94/343364194.db2.gz CHDBBPWMPLPEPM-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cccc(F)c1 ZINC000037988997 343364260 /nfs/dbraw/zinc/36/42/60/343364260.db2.gz CCYRUXJTQZWXIT-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000335635458 136300618 /nfs/dbraw/zinc/30/06/18/136300618.db2.gz LMVWZEBEYWYQEA-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000335635458 136300619 /nfs/dbraw/zinc/30/06/19/136300619.db2.gz LMVWZEBEYWYQEA-KOLCDFICSA-N 1 2 227.329 1.330 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000348797375 136301628 /nfs/dbraw/zinc/30/16/28/136301628.db2.gz DFOQNBJHBXETBG-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000348797375 136301629 /nfs/dbraw/zinc/30/16/29/136301629.db2.gz DFOQNBJHBXETBG-UHFFFAOYSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000335649822 136304620 /nfs/dbraw/zinc/30/46/20/136304620.db2.gz ISJICJWEUXVMIK-GSJFWJNXSA-N 1 2 249.314 1.733 20 0 BDADLO Cc1[nH]ncc1CN(C)CC[NH+]1CCCC1 ZINC000349070617 136317014 /nfs/dbraw/zinc/31/70/14/136317014.db2.gz CCPQCXUUEZNXJQ-UHFFFAOYSA-N 1 2 222.336 1.246 20 0 BDADLO Cn1cncc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000335676576 136318540 /nfs/dbraw/zinc/31/85/40/136318540.db2.gz ROZLUAFNKUZQQQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cncc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000335676576 136318541 /nfs/dbraw/zinc/31/85/41/136318541.db2.gz ROZLUAFNKUZQQQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1c[nH+]cc1CN1CCc2ccc(O)cc2C1 ZINC000335676576 136318542 /nfs/dbraw/zinc/31/85/42/136318542.db2.gz ROZLUAFNKUZQQQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CC1(C)CC(Cn2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000641070436 362179681 /nfs/dbraw/zinc/17/96/81/362179681.db2.gz FHSBONNHXJZHOU-UHFFFAOYSA-N 1 2 245.330 1.959 20 0 BDADLO CC[N@@H+]1CC(=O)N[C@]12CCC[C@@H](C1CC1)C2 ZINC000335642338 136308839 /nfs/dbraw/zinc/30/88/39/136308839.db2.gz HSLYUDACHZSDLA-DGCLKSJQSA-N 1 2 222.332 1.735 20 0 BDADLO CC[N@H+]1CC(=O)N[C@]12CCC[C@@H](C1CC1)C2 ZINC000335642338 136308840 /nfs/dbraw/zinc/30/88/40/136308840.db2.gz HSLYUDACHZSDLA-DGCLKSJQSA-N 1 2 222.332 1.735 20 0 BDADLO CCn1cc[nH+]c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000335669156 136312695 /nfs/dbraw/zinc/31/26/95/136312695.db2.gz CQGZTMDCXFYKBO-RYUDHWBXSA-N 1 2 235.331 1.656 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000335664268 136316165 /nfs/dbraw/zinc/31/61/65/136316165.db2.gz OOUYSHZMEYRRSK-WPRPVWTQSA-N 1 2 212.293 1.411 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000335664268 136316166 /nfs/dbraw/zinc/31/61/66/136316166.db2.gz OOUYSHZMEYRRSK-WPRPVWTQSA-N 1 2 212.293 1.411 20 0 BDADLO O=C([C@H]1CCCS1)N1CC[NH+](C2CC2)CC1 ZINC000335687666 136323811 /nfs/dbraw/zinc/32/38/11/136323811.db2.gz CCEMUEXDPSYMTJ-LLVKDONJSA-N 1 2 240.372 1.189 20 0 BDADLO CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335697509 136327354 /nfs/dbraw/zinc/32/73/54/136327354.db2.gz FDQUPRUXFXAULL-UHFFFAOYSA-N 1 2 222.292 1.319 20 0 BDADLO CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335697509 136327355 /nfs/dbraw/zinc/32/73/55/136327355.db2.gz FDQUPRUXFXAULL-UHFFFAOYSA-N 1 2 222.292 1.319 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(F)c1 ZINC000041039480 343413287 /nfs/dbraw/zinc/41/32/87/343413287.db2.gz BMXVTYGQHDMFJC-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO Cc1cc(C)nc(NCCn2cc[nH+]c2)n1 ZINC000041042301 343413475 /nfs/dbraw/zinc/41/34/75/343413475.db2.gz QWSYZYVTKZHTFT-UHFFFAOYSA-N 1 2 217.276 1.402 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000349417623 136345135 /nfs/dbraw/zinc/34/51/35/136345135.db2.gz MDZOEBRYUQIOSA-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C[C@@H]1O ZINC000349417623 136345136 /nfs/dbraw/zinc/34/51/36/136345136.db2.gz MDZOEBRYUQIOSA-WPRPVWTQSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]2C[C@H]2C)cc[nH+]1 ZINC000335724023 136346431 /nfs/dbraw/zinc/34/64/31/136346431.db2.gz KRDYZYUMLYZHMY-SCZZXKLOSA-N 1 2 204.273 1.797 20 0 BDADLO CC(C)C[C@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641092914 362219948 /nfs/dbraw/zinc/21/99/48/362219948.db2.gz NRFPBNJXVOBUEM-CMPLNLGQSA-N 1 2 238.335 1.546 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CC2 ZINC000616413086 343427093 /nfs/dbraw/zinc/42/70/93/343427093.db2.gz PYCPDIHSIKHYPU-KKZNHRDASA-N 1 2 231.299 1.192 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1CCC(F)(F)F ZINC000335682358 136329119 /nfs/dbraw/zinc/32/91/19/136329119.db2.gz LOBOZDGPAGKYMG-ZETCQYMHSA-N 1 2 234.225 1.607 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1CCC(F)(F)F ZINC000335682358 136329120 /nfs/dbraw/zinc/32/91/20/136329120.db2.gz LOBOZDGPAGKYMG-ZETCQYMHSA-N 1 2 234.225 1.607 20 0 BDADLO O=C(c1cccc(F)c1)N1CCn2c[nH+]cc2C1 ZINC000335683933 136329618 /nfs/dbraw/zinc/32/96/18/136329618.db2.gz FHHJLNIVFSBUKM-UHFFFAOYSA-N 1 2 245.257 1.678 20 0 BDADLO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349205419 136331674 /nfs/dbraw/zinc/33/16/74/136331674.db2.gz WCBOXPRVTWQOCZ-SECBINFHSA-N 1 2 239.319 1.630 20 0 BDADLO O=C(C1=CCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000335700679 136333846 /nfs/dbraw/zinc/33/38/46/136333846.db2.gz ZUVBIMGKXJHXOR-CYBMUJFWSA-N 1 2 244.294 1.782 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC12CCCC2 ZINC000335712628 136337937 /nfs/dbraw/zinc/33/79/37/136337937.db2.gz DLUOHQLPFMPQOY-JTQLQIEISA-N 1 2 233.315 1.617 20 0 BDADLO CO[C@@H](C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000350059577 136353735 /nfs/dbraw/zinc/35/37/35/136353735.db2.gz LTQLCCRDKHKVFT-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000590296339 346940238 /nfs/dbraw/zinc/94/02/38/346940238.db2.gz FTCMRPBVDGNFEI-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000590296339 346940240 /nfs/dbraw/zinc/94/02/40/346940240.db2.gz FTCMRPBVDGNFEI-WCBMZHEXSA-N 1 2 225.292 1.550 20 0 BDADLO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)CF ZINC000350521052 136361677 /nfs/dbraw/zinc/36/16/77/136361677.db2.gz VVBMPJKXXXCIAI-WDEREUQCSA-N 1 2 245.342 1.518 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)N2CCCCC2)[C@@H](C)CO1 ZINC000247986809 136373636 /nfs/dbraw/zinc/37/36/36/136373636.db2.gz ZTJZZFXTNSUGFG-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)N2CCCCC2)[C@@H](C)CO1 ZINC000247986809 136373637 /nfs/dbraw/zinc/37/36/37/136373637.db2.gz ZTJZZFXTNSUGFG-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)ccc1O ZINC000080027480 136375122 /nfs/dbraw/zinc/37/51/22/136375122.db2.gz KHCPROBOYBQUAN-UHFFFAOYSA-N 1 2 235.218 1.184 20 0 BDADLO CSC1CC[NH+](Cc2noc(C)n2)CC1 ZINC000602921418 349810841 /nfs/dbraw/zinc/81/08/41/349810841.db2.gz JYEZFASJPZVPMY-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000310522623 343523264 /nfs/dbraw/zinc/52/32/64/343523264.db2.gz XEJIIALFFCQHFV-SECBINFHSA-N 1 2 237.303 1.292 20 0 BDADLO CC1(C)[C@H](O)CC[N@H+]1Cc1noc(C2CC2)n1 ZINC000310522623 343523268 /nfs/dbraw/zinc/52/32/68/343523268.db2.gz XEJIIALFFCQHFV-SECBINFHSA-N 1 2 237.303 1.292 20 0 BDADLO COC(=O)C[N@H+](Cc1cc(C)ccn1)C(C)C ZINC000616762373 343561649 /nfs/dbraw/zinc/56/16/49/343561649.db2.gz FTOPYFBMVPYXFH-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1cc(C)ccn1)C(C)C ZINC000616762373 343561650 /nfs/dbraw/zinc/56/16/50/343561650.db2.gz FTOPYFBMVPYXFH-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000577013915 365767387 /nfs/dbraw/zinc/76/73/87/365767387.db2.gz TVYKIJUFDRFFBS-IUCAKERBSA-N 1 2 221.304 1.602 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)no1 ZINC000510139043 529735333 /nfs/dbraw/zinc/73/53/33/529735333.db2.gz HEPQQLFEONHPRE-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)no1 ZINC000510139043 529735334 /nfs/dbraw/zinc/73/53/34/529735334.db2.gz HEPQQLFEONHPRE-DTORHVGOSA-N 1 2 225.292 1.241 20 0 BDADLO CC(C)c1noc(C[N@H+](CCO)C2CC2)n1 ZINC000048065308 343570760 /nfs/dbraw/zinc/57/07/60/343570760.db2.gz DUJQKQJDHQZYIF-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)c1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000048065308 343570764 /nfs/dbraw/zinc/57/07/64/343570764.db2.gz DUJQKQJDHQZYIF-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CCOc1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000048584211 343584065 /nfs/dbraw/zinc/58/40/65/343584065.db2.gz MIDHPYBFQAKIJE-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CCOc1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000048584211 343584066 /nfs/dbraw/zinc/58/40/66/343584066.db2.gz MIDHPYBFQAKIJE-UHFFFAOYSA-N 1 2 237.299 1.690 20 0 BDADLO CC(C)[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000620038455 343589442 /nfs/dbraw/zinc/58/94/42/343589442.db2.gz LDKTZKFYWXMPGJ-CYBMUJFWSA-N 1 2 235.331 1.824 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000049000537 343591388 /nfs/dbraw/zinc/59/13/88/343591388.db2.gz UKBIXDYFWFORQZ-UHFFFAOYSA-N 1 2 248.326 1.396 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000049000537 343591391 /nfs/dbraw/zinc/59/13/91/343591391.db2.gz UKBIXDYFWFORQZ-UHFFFAOYSA-N 1 2 248.326 1.396 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC1CC1 ZINC000049269665 343595139 /nfs/dbraw/zinc/59/51/39/343595139.db2.gz AQLFGGPVWFDNFL-JTQLQIEISA-N 1 2 236.319 1.323 20 0 BDADLO CCc1ncc(NC(=O)C=Cc2c[nH]c[nH+]2)cn1 ZINC000493717371 529757757 /nfs/dbraw/zinc/75/77/57/529757757.db2.gz DQKNUZKPAMHJIZ-ONEGZZNKSA-N 1 2 243.270 1.414 20 0 BDADLO C[C@H]1C[N@H+](CCC(F)(F)F)CC[S@](=O)C1 ZINC000335863506 344034938 /nfs/dbraw/zinc/03/49/38/344034938.db2.gz XMBCAXUVLOFSGS-AYVTZFPOSA-N 1 2 243.294 1.639 20 0 BDADLO C[C@H]1C[N@@H+](CCC(F)(F)F)CC[S@](=O)C1 ZINC000335863506 344034939 /nfs/dbraw/zinc/03/49/39/344034939.db2.gz XMBCAXUVLOFSGS-AYVTZFPOSA-N 1 2 243.294 1.639 20 0 BDADLO CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000335864750 344035380 /nfs/dbraw/zinc/03/53/80/344035380.db2.gz YUTFKOSDLATHHJ-SNVBAGLBSA-N 1 2 246.301 1.775 20 0 BDADLO CN(C)c1ccc(NCc2cncc(F)c2)[nH+]c1 ZINC000494548784 529774916 /nfs/dbraw/zinc/77/49/16/529774916.db2.gz SVULQBVNYHGLPH-UHFFFAOYSA-N 1 2 246.289 1.716 20 0 BDADLO COC(=O)c1ccc(Cn2cc[nH+]c2)nc1 ZINC000087223363 343641878 /nfs/dbraw/zinc/64/18/78/343641878.db2.gz TVRVWHZETSLYMK-UHFFFAOYSA-N 1 2 217.228 1.113 20 0 BDADLO CCCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077213696 343672122 /nfs/dbraw/zinc/67/21/22/343672122.db2.gz SZCGPKGORYQHSG-UHFFFAOYSA-N 1 2 217.276 1.509 20 0 BDADLO COC(=O)[C@H](NCc1c[nH+]cn1C)C(C)(C)C ZINC000119234974 343679532 /nfs/dbraw/zinc/67/95/32/343679532.db2.gz BTFXIRWSJJECAB-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000083970488 343691709 /nfs/dbraw/zinc/69/17/09/343691709.db2.gz JVUOGXRLENOXSL-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO COC(=O)C12CCC(CC1)N2Cc1[nH+]ccn1C ZINC000602984364 349836281 /nfs/dbraw/zinc/83/62/81/349836281.db2.gz JXXOAYVXTITHRI-UHFFFAOYSA-N 1 2 249.314 1.090 20 0 BDADLO COC(=O)C12CCC(CC1)N2Cc1c[nH+]cn1C ZINC000602985228 349837037 /nfs/dbraw/zinc/83/70/37/349837037.db2.gz RRQKUEDAYDGSRS-UHFFFAOYSA-N 1 2 249.314 1.090 20 0 BDADLO COC(=O)C12CCC(CC1)N2Cc1c[nH+]c[nH]1 ZINC000602985907 349837058 /nfs/dbraw/zinc/83/70/58/349837058.db2.gz NAJCEUYUJCKFER-UHFFFAOYSA-N 1 2 235.287 1.080 20 0 BDADLO COC(=O)C12CCC(CC1)N2Cc1c[nH]c[nH+]1 ZINC000602985907 349837061 /nfs/dbraw/zinc/83/70/61/349837061.db2.gz NAJCEUYUJCKFER-UHFFFAOYSA-N 1 2 235.287 1.080 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)[C@@H](C)O1 ZINC000631301950 343685605 /nfs/dbraw/zinc/68/56/05/343685605.db2.gz XRGSHZVOALGVMK-CKYFFXLPSA-N 1 2 249.314 1.080 20 0 BDADLO Cn1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)n1 ZINC000678269639 488232365 /nfs/dbraw/zinc/23/23/65/488232365.db2.gz FSBAGZRTZRFBLL-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO Cn1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)n1 ZINC000678269639 488232367 /nfs/dbraw/zinc/23/23/67/488232367.db2.gz FSBAGZRTZRFBLL-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)C(=O)OC ZINC000206902409 343721628 /nfs/dbraw/zinc/72/16/28/343721628.db2.gz RZNMMCDSJLKNHZ-YUMQZZPRSA-N 1 2 221.247 1.715 20 0 BDADLO C[N@H+](Cc1cnns1)[C@H]1CCCOC1 ZINC000625422327 343724198 /nfs/dbraw/zinc/72/41/98/343724198.db2.gz RIIGRAFWXLFBSE-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[N@@H+](Cc1cnns1)[C@H]1CCCOC1 ZINC000625422327 343724200 /nfs/dbraw/zinc/72/42/00/343724200.db2.gz RIIGRAFWXLFBSE-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1ccco1 ZINC000042366263 343766001 /nfs/dbraw/zinc/76/60/01/343766001.db2.gz ZQGOJYQLCLJPTE-UHFFFAOYSA-N 1 2 224.304 1.580 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000042366263 343766002 /nfs/dbraw/zinc/76/60/02/343766002.db2.gz ZQGOJYQLCLJPTE-UHFFFAOYSA-N 1 2 224.304 1.580 20 0 BDADLO CN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493659572 529849926 /nfs/dbraw/zinc/84/99/26/529849926.db2.gz LOUIIPHEJMTNPS-IHWYPQMZSA-N 1 2 233.193 1.444 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1c1cc(N)nc[nH+]1 ZINC000409427580 343801066 /nfs/dbraw/zinc/80/10/66/343801066.db2.gz AOVQNOVQHOGPCA-RKDXNWHRSA-N 1 2 206.293 1.826 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)CC1CC(O)C1 ZINC000442897772 537823794 /nfs/dbraw/zinc/82/37/94/537823794.db2.gz YYEHRVJLMIOAFJ-UHFFFAOYSA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)CC1CC(O)C1 ZINC000442897772 537823816 /nfs/dbraw/zinc/82/38/16/537823816.db2.gz YYEHRVJLMIOAFJ-UHFFFAOYSA-N 1 2 246.763 1.999 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cccc2nccn21 ZINC000179829338 346999348 /nfs/dbraw/zinc/99/93/48/346999348.db2.gz MDSOHOJAQBNWEO-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cccc2nccn21 ZINC000179829338 346999352 /nfs/dbraw/zinc/99/93/52/346999352.db2.gz MDSOHOJAQBNWEO-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCCN1Cc1cccc2[nH+]ccn21 ZINC000179829338 346999353 /nfs/dbraw/zinc/99/93/53/346999353.db2.gz MDSOHOJAQBNWEO-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000625456591 343858955 /nfs/dbraw/zinc/85/89/55/343858955.db2.gz DZOBFPVGTFHTAY-VIFPVBQESA-N 1 2 216.300 1.193 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000625456591 343858957 /nfs/dbraw/zinc/85/89/57/343858957.db2.gz DZOBFPVGTFHTAY-VIFPVBQESA-N 1 2 216.300 1.193 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1csnn1 ZINC000179895410 347001853 /nfs/dbraw/zinc/00/18/53/347001853.db2.gz PCVHYKVXZRBWSK-SECBINFHSA-N 1 2 241.316 1.066 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+]1Cc1csnn1 ZINC000179895410 347001855 /nfs/dbraw/zinc/00/18/55/347001855.db2.gz PCVHYKVXZRBWSK-SECBINFHSA-N 1 2 241.316 1.066 20 0 BDADLO CSCc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000603232907 349891902 /nfs/dbraw/zinc/89/19/02/349891902.db2.gz JTZYDAWWELIGFZ-UHFFFAOYSA-N 1 2 234.328 1.893 20 0 BDADLO C[C@@H](CCO)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625514254 343915132 /nfs/dbraw/zinc/91/51/32/343915132.db2.gz PZDUXCWHHRDTAZ-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H](CCO)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625514254 343915134 /nfs/dbraw/zinc/91/51/34/343915134.db2.gz PZDUXCWHHRDTAZ-VIFPVBQESA-N 1 2 239.319 1.540 20 0 BDADLO C[C@@H]1CC[C@@H](Cn2cc(Cn3cc[nH+]c3)nn2)O1 ZINC000641192085 362267603 /nfs/dbraw/zinc/26/76/03/362267603.db2.gz ZFUKHAWRUINSIX-PWSUYJOCSA-N 1 2 247.302 1.090 20 0 BDADLO CC(C)(C)CC(C)(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000091554913 343950153 /nfs/dbraw/zinc/95/01/53/343950153.db2.gz BRYQUMXIRKCSMK-UHFFFAOYSA-N 1 2 226.324 1.815 20 0 BDADLO Cc1nc(N2CC[C@H](C(F)F)C2)cc[nH+]1 ZINC000672275440 488249552 /nfs/dbraw/zinc/24/95/52/488249552.db2.gz WTEUYZRXOBTKHR-QMMMGPOBSA-N 1 2 213.231 1.876 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn3ccccc3n2)[C@@H](C)CO1 ZINC000249716643 362290352 /nfs/dbraw/zinc/29/03/52/362290352.db2.gz IWRIQGZGOFCLOI-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)[C@@H](C)CO1 ZINC000249716643 362290356 /nfs/dbraw/zinc/29/03/56/362290356.db2.gz IWRIQGZGOFCLOI-NWDGAFQWSA-N 1 2 245.326 1.944 20 0 BDADLO CCCc1noc(C[N@H+](C)CC2(C)COC2)n1 ZINC000625787151 344074558 /nfs/dbraw/zinc/07/45/58/344074558.db2.gz PCORSODCNUWCBF-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CCCc1noc(C[N@@H+](C)CC2(C)COC2)n1 ZINC000625787151 344074560 /nfs/dbraw/zinc/07/45/60/344074560.db2.gz PCORSODCNUWCBF-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO CC(C)c1noc(C[N@H+](C)CC2(C)COC2)n1 ZINC000625787042 344074648 /nfs/dbraw/zinc/07/46/48/344074648.db2.gz OJFCYNLGTKHPBS-UHFFFAOYSA-N 1 2 239.319 1.661 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)CC2(C)COC2)n1 ZINC000625787042 344074650 /nfs/dbraw/zinc/07/46/50/344074650.db2.gz OJFCYNLGTKHPBS-UHFFFAOYSA-N 1 2 239.319 1.661 20 0 BDADLO Oc1ccc2c(c1)C[N@@H+](CCn1cccn1)C2 ZINC000625725879 344058004 /nfs/dbraw/zinc/05/80/04/344058004.db2.gz FEOSQACFSKFQEZ-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO Oc1ccc2c(c1)C[N@H+](CCn1cccn1)C2 ZINC000625725879 344058005 /nfs/dbraw/zinc/05/80/05/344058005.db2.gz FEOSQACFSKFQEZ-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCC12CC2 ZINC000625741321 344060490 /nfs/dbraw/zinc/06/04/90/344060490.db2.gz BTAYUVOKVJMVLC-SNVBAGLBSA-N 1 2 219.288 1.606 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCC12CC2 ZINC000625741321 344060493 /nfs/dbraw/zinc/06/04/93/344060493.db2.gz BTAYUVOKVJMVLC-SNVBAGLBSA-N 1 2 219.288 1.606 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC(F)(F)CC2)no1 ZINC000625767951 344069123 /nfs/dbraw/zinc/06/91/23/344069123.db2.gz QIXBEVQHGUIKDD-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO Cc1nc(C[N@H+]2CCCC(F)(F)CC2)no1 ZINC000625767951 344069127 /nfs/dbraw/zinc/06/91/27/344069127.db2.gz QIXBEVQHGUIKDD-UHFFFAOYSA-N 1 2 231.246 1.999 20 0 BDADLO OCc1cc[nH+]c(NC[C@H]2CCCOC2)c1 ZINC000641305774 362355076 /nfs/dbraw/zinc/35/50/76/362355076.db2.gz SCOOJPWFLHAPAW-LLVKDONJSA-N 1 2 222.288 1.412 20 0 BDADLO COCCOCCCNc1cc[nH+]cc1F ZINC000641266829 362338337 /nfs/dbraw/zinc/33/83/37/362338337.db2.gz LBBFAFLFXKSESI-UHFFFAOYSA-N 1 2 228.267 1.108 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000625849299 344118569 /nfs/dbraw/zinc/11/85/69/344118569.db2.gz LHRLTZRBBDDJIN-GRYCIOLGSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000625849299 344118571 /nfs/dbraw/zinc/11/85/71/344118571.db2.gz LHRLTZRBBDDJIN-GRYCIOLGSA-N 1 2 240.347 1.154 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2Nc1cc[nH+]cc1F ZINC000641284462 362344780 /nfs/dbraw/zinc/34/47/80/362344780.db2.gz LEZRDAXEZPFPNL-NSHDSACASA-N 1 2 246.289 1.866 20 0 BDADLO C[C@@H](Cn1cccn1)Nc1cc(CO)cc[nH+]1 ZINC000641290747 362346742 /nfs/dbraw/zinc/34/67/42/362346742.db2.gz NIQYCFCNZRJOMN-JTQLQIEISA-N 1 2 232.287 1.271 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734593 344115181 /nfs/dbraw/zinc/11/51/81/344115181.db2.gz JURVDKVGMIRIRZ-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734593 344115183 /nfs/dbraw/zinc/11/51/83/344115183.db2.gz JURVDKVGMIRIRZ-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734593 344115184 /nfs/dbraw/zinc/11/51/84/344115184.db2.gz JURVDKVGMIRIRZ-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634734593 344115186 /nfs/dbraw/zinc/11/51/86/344115186.db2.gz JURVDKVGMIRIRZ-JTQLQIEISA-N 1 2 245.273 1.574 20 0 BDADLO c1c(C[NH+](C2CC2)C2CC2)nnn1CC1CC1 ZINC000625840803 344091312 /nfs/dbraw/zinc/09/13/12/344091312.db2.gz BGZRRKOJSVEPGK-UHFFFAOYSA-N 1 2 232.331 1.815 20 0 BDADLO CCc1nnc(C[NH+](C2CC2)C2CC2)[nH]1 ZINC000625843571 344094340 /nfs/dbraw/zinc/09/43/40/344094340.db2.gz ZIGLDADPCBSURW-UHFFFAOYSA-N 1 2 206.293 1.494 20 0 BDADLO COC[C@@H](C)CNc1cc(CO)cc[nH+]1 ZINC000641310813 362358331 /nfs/dbraw/zinc/35/83/31/362358331.db2.gz KAVHIJOGOJZKDL-VIFPVBQESA-N 1 2 210.277 1.268 20 0 BDADLO CSCc1cn(CCn2cc[nH+]c2)nn1 ZINC000603240675 349904332 /nfs/dbraw/zinc/90/43/32/349904332.db2.gz BLLWONJQFQDGQK-UHFFFAOYSA-N 1 2 223.305 1.038 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634736034 344125151 /nfs/dbraw/zinc/12/51/51/344125151.db2.gz XVBUOUPMTFPRCW-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634736034 344125153 /nfs/dbraw/zinc/12/51/53/344125153.db2.gz XVBUOUPMTFPRCW-SNVBAGLBSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000625853409 344125671 /nfs/dbraw/zinc/12/56/71/344125671.db2.gz HJVMBEOWCRQVLR-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000625853409 344125674 /nfs/dbraw/zinc/12/56/74/344125674.db2.gz HJVMBEOWCRQVLR-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1c[nH+]c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000625853409 344125677 /nfs/dbraw/zinc/12/56/77/344125677.db2.gz HJVMBEOWCRQVLR-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Fc1c[nH+]ccc1NC[C@@H]1CCCCO1 ZINC000641309712 362359728 /nfs/dbraw/zinc/35/97/28/362359728.db2.gz LRTZEASPWXRGPW-VIFPVBQESA-N 1 2 210.252 1.624 20 0 BDADLO COCCCCCNc1cc[nH+]cc1F ZINC000641319128 362364381 /nfs/dbraw/zinc/36/43/81/362364381.db2.gz HFFFHRSAMMRYMM-UHFFFAOYSA-N 1 2 212.268 1.871 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1ccnn1C ZINC000092438060 344295612 /nfs/dbraw/zinc/29/56/12/344295612.db2.gz ANHCRWBDCBXEHE-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccnn1C ZINC000092438060 344295614 /nfs/dbraw/zinc/29/56/14/344295614.db2.gz ANHCRWBDCBXEHE-UHFFFAOYSA-N 1 2 233.319 1.176 20 0 BDADLO C[N@H+](Cc1nc(C(C)(C)C)no1)C1CC(O)C1 ZINC000408213794 344249482 /nfs/dbraw/zinc/24/94/82/344249482.db2.gz DQMRSXYULQNPOS-UHFFFAOYSA-N 1 2 239.319 1.322 20 0 BDADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC(O)C1 ZINC000408213794 344249485 /nfs/dbraw/zinc/24/94/85/344249485.db2.gz DQMRSXYULQNPOS-UHFFFAOYSA-N 1 2 239.319 1.322 20 0 BDADLO Cn1cc[nH+]c1CNc1cc(C2CC2)ncn1 ZINC000641342948 362370760 /nfs/dbraw/zinc/37/07/60/362370760.db2.gz GYMRIRZMVALXJH-UHFFFAOYSA-N 1 2 229.287 1.122 20 0 BDADLO Cc1cc(N[C@@H]2CCCc3c[nH]nc32)nc[nH+]1 ZINC000408218776 344253634 /nfs/dbraw/zinc/25/36/34/344253634.db2.gz JXOZRTDHVFBIMU-SNVBAGLBSA-N 1 2 229.287 1.998 20 0 BDADLO COC(=O)CCCCOCc1[nH]cc[nH+]1 ZINC000600538586 344262922 /nfs/dbraw/zinc/26/29/22/344262922.db2.gz YRRYBLDLIQCFNT-UHFFFAOYSA-N 1 2 212.249 1.270 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1cncs1 ZINC000133231030 344315379 /nfs/dbraw/zinc/31/53/79/344315379.db2.gz HLLDSLGZIIGMQT-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CC1(CNc2cc(CO)cc[nH+]2)COC1 ZINC000641374853 362382185 /nfs/dbraw/zinc/38/21/85/362382185.db2.gz PSGZKIFOVKYWRB-UHFFFAOYSA-N 1 2 208.261 1.022 20 0 BDADLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C)on1 ZINC000056510724 344330497 /nfs/dbraw/zinc/33/04/97/344330497.db2.gz QDOZXATWKPNSFA-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C)on1 ZINC000056510724 344330499 /nfs/dbraw/zinc/33/04/99/344330499.db2.gz QDOZXATWKPNSFA-UHFFFAOYSA-N 1 2 239.319 1.283 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000600613886 344336514 /nfs/dbraw/zinc/33/65/14/344336514.db2.gz KHBAQDHMWIXYJN-IJLUTSLNSA-N 1 2 239.315 1.095 20 0 BDADLO CCN1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000600617111 344337850 /nfs/dbraw/zinc/33/78/50/344337850.db2.gz MTXGMMMRAWAHJW-GFCCVEGCSA-N 1 2 219.332 1.780 20 0 BDADLO CCC[C@H](C[NH2+][C@H](C(=O)OC)C1CC1)OCC ZINC000600605416 344339030 /nfs/dbraw/zinc/33/90/30/344339030.db2.gz NQYZLEPZZWGIOZ-NEPJUHHUSA-N 1 2 243.347 1.733 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](C2CC2)C1 ZINC000582021776 347046865 /nfs/dbraw/zinc/04/68/65/347046865.db2.gz CPHGHQUCNZGVGG-NSHDSACASA-N 1 2 233.315 1.221 20 0 BDADLO Fc1c[nH+]ccc1NCCOC[C@@H]1CCOC1 ZINC000641370003 362380315 /nfs/dbraw/zinc/38/03/15/362380315.db2.gz TVCXCCRDJTXJPV-SNVBAGLBSA-N 1 2 240.278 1.108 20 0 BDADLO O[C@@H](CCNc1cc[nH+]cc1F)C(F)(F)F ZINC000641373205 362380789 /nfs/dbraw/zinc/38/07/89/362380789.db2.gz UOZQTVMKTCMYEE-QMMMGPOBSA-N 1 2 238.184 1.368 20 0 BDADLO CC[C@H](O)CCCNc1cc[nH+]cc1F ZINC000641393047 362390922 /nfs/dbraw/zinc/39/09/22/362390922.db2.gz HQUCOALLHWGZAQ-VIFPVBQESA-N 1 2 212.268 1.606 20 0 BDADLO C[C@H](CC[S@](C)=O)Nc1cc(CO)cc[nH+]1 ZINC000603304801 349909808 /nfs/dbraw/zinc/90/98/08/349909808.db2.gz XLQUFZIXQKNFFB-ABKXIKBNSA-N 1 2 242.344 1.143 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncccn1 ZINC000042250154 344447942 /nfs/dbraw/zinc/44/79/42/344447942.db2.gz UPSIEGOMEYEVDX-SECBINFHSA-N 1 2 203.249 1.174 20 0 BDADLO COC(=O)C[N@H+](Cc1ccsc1)C1CC1 ZINC000042469010 344455910 /nfs/dbraw/zinc/45/59/10/344455910.db2.gz YVUKKWYVIQORCG-UHFFFAOYSA-N 1 2 225.313 1.886 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccsc1)C1CC1 ZINC000042469010 344455915 /nfs/dbraw/zinc/45/59/15/344455915.db2.gz YVUKKWYVIQORCG-UHFFFAOYSA-N 1 2 225.313 1.886 20 0 BDADLO CCC[N@H+](CC(=O)OCC)Cc1cn[nH]c1 ZINC000380974214 344462530 /nfs/dbraw/zinc/46/25/30/344462530.db2.gz GLDAHTNDVXRZKU-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCC[N@@H+](CC(=O)OCC)Cc1cn[nH]c1 ZINC000380974214 344462534 /nfs/dbraw/zinc/46/25/34/344462534.db2.gz GLDAHTNDVXRZKU-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO COCCOC[C@H](C)Nc1cc[nH+]cc1F ZINC000641398417 362393602 /nfs/dbraw/zinc/39/36/02/362393602.db2.gz QIHNWJGXQTXDPB-VIFPVBQESA-N 1 2 228.267 1.106 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncc[nH]2)n(C)n1 ZINC000336777886 537846880 /nfs/dbraw/zinc/84/68/80/537846880.db2.gz JSZQGKXFAIZXRH-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000381203833 344484374 /nfs/dbraw/zinc/48/43/74/344484374.db2.gz FSDFMUZBNQUGMS-UWVGGRQHSA-N 1 2 219.288 1.266 20 0 BDADLO CO[C@H](CNc1cc[nH+]cc1F)C(C)C ZINC000641409058 362401271 /nfs/dbraw/zinc/40/12/71/362401271.db2.gz JOTADYKSFYHOCV-LLVKDONJSA-N 1 2 212.268 1.726 20 0 BDADLO c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)no1 ZINC000152377197 344532410 /nfs/dbraw/zinc/53/24/10/344532410.db2.gz DGCNLFDMYRGFSP-CYBMUJFWSA-N 1 2 245.282 1.723 20 0 BDADLO c1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)no1 ZINC000152377197 344532412 /nfs/dbraw/zinc/53/24/12/344532412.db2.gz DGCNLFDMYRGFSP-CYBMUJFWSA-N 1 2 245.282 1.723 20 0 BDADLO CCOC(=O)C[C@H](C)SCc1cn(C)c[nH+]1 ZINC000603314824 349912237 /nfs/dbraw/zinc/91/22/37/349912237.db2.gz BENXNUORTUPLOD-VIFPVBQESA-N 1 2 242.344 1.995 20 0 BDADLO COC(=O)[C@H](C)CSCc1cn(C)c[nH+]1 ZINC000603315226 349912458 /nfs/dbraw/zinc/91/24/58/349912458.db2.gz FGDLLSDGUXDHEG-MRVPVSSYSA-N 1 2 228.317 1.462 20 0 BDADLO OCCC1(CNc2cc[nH+]cc2F)CCCC1 ZINC000641412173 362399736 /nfs/dbraw/zinc/39/97/36/362399736.db2.gz YHMYJQGERJHFJY-UHFFFAOYSA-N 1 2 238.306 1.997 20 0 BDADLO CC(C)(C)C[C@@H](CO)Nc1cc[nH+]cc1F ZINC000641450965 362425524 /nfs/dbraw/zinc/42/55/24/362425524.db2.gz NTAXRGXGTOWPJF-VIFPVBQESA-N 1 2 226.295 1.852 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641458692 362434410 /nfs/dbraw/zinc/43/44/10/362434410.db2.gz HDWRMMWWJMLAKO-VHSXEESVSA-N 1 2 224.279 1.960 20 0 BDADLO CC(C)NC(=O)NCCNc1cccc[nH+]1 ZINC000047500500 344578293 /nfs/dbraw/zinc/57/82/93/344578293.db2.gz FKMMBLOXYGRDIZ-UHFFFAOYSA-N 1 2 222.292 1.201 20 0 BDADLO C[C@H](CCCO)Nc1cc(CO)cc[nH+]1 ZINC000641429966 362414279 /nfs/dbraw/zinc/41/42/79/362414279.db2.gz AKTTUCPXMSTZNB-SECBINFHSA-N 1 2 210.277 1.147 20 0 BDADLO Cn1c[nH+]c(CSc2nncn2C2CC2)c1 ZINC000641437139 362417831 /nfs/dbraw/zinc/41/78/31/362417831.db2.gz DCNQZZWEMLIDKX-UHFFFAOYSA-N 1 2 235.316 1.639 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]cc2F)CCO1 ZINC000641475963 362449006 /nfs/dbraw/zinc/44/90/06/362449006.db2.gz VYFVLTHQOLSSEH-DTWKUNHWSA-N 1 2 210.252 1.622 20 0 BDADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)C[C@@H]1F ZINC000641483399 362451637 /nfs/dbraw/zinc/45/16/37/362451637.db2.gz NYPACFTXIPERTL-ONGXEEELSA-N 1 2 224.279 1.758 20 0 BDADLO OCc1cc[nH+]c(NCC[C@@H]2CCCCO2)c1 ZINC000641484934 362453984 /nfs/dbraw/zinc/45/39/84/362453984.db2.gz FAYNXKLAAUSZDO-LBPRGKRZSA-N 1 2 236.315 1.945 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)C(F)(F)F ZINC000625966460 344614775 /nfs/dbraw/zinc/61/47/75/344614775.db2.gz CHJOVIPPDYYXKI-ZCFIWIBFSA-N 1 2 249.236 1.923 20 0 BDADLO CC1(C)[C@@H](O)C[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641504151 362466623 /nfs/dbraw/zinc/46/66/23/362466623.db2.gz WIURGFCOBSAVLF-UWVGGRQHSA-N 1 2 222.288 1.145 20 0 BDADLO CC1(C)CN(c2cc[nH+]cc2F)C[C@H]1O ZINC000641546822 362493198 /nfs/dbraw/zinc/49/31/98/362493198.db2.gz ZRWOSSPEFWKDRS-SNVBAGLBSA-N 1 2 210.252 1.428 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]cc2F)[C@H]1CO ZINC000641523999 362474221 /nfs/dbraw/zinc/47/42/21/362474221.db2.gz BZWUYDFKSMMTGK-KCJUWKMLSA-N 1 2 210.252 1.428 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]cc2F)[C@@H]1CO ZINC000641523998 362474306 /nfs/dbraw/zinc/47/43/06/362474306.db2.gz BZWUYDFKSMMTGK-GZMMTYOYSA-N 1 2 210.252 1.428 20 0 BDADLO OCc1cc[nH+]c(N2CCc3ncsc3C2)c1 ZINC000641522266 362478829 /nfs/dbraw/zinc/47/88/29/362478829.db2.gz QBUHXRABCPECDB-UHFFFAOYSA-N 1 2 247.323 1.593 20 0 BDADLO COC[C@H]1CN(c2cc[nH+]cc2F)C[C@H](C)O1 ZINC000641523445 362479703 /nfs/dbraw/zinc/47/97/03/362479703.db2.gz LMPPOPFKOVBWBN-VHSXEESVSA-N 1 2 240.278 1.461 20 0 BDADLO Nc1ccc(CNc2cc(C3CC3)ncn2)c[nH+]1 ZINC000641527050 362481395 /nfs/dbraw/zinc/48/13/95/362481395.db2.gz CAFYURZDCMDGMN-UHFFFAOYSA-N 1 2 241.298 1.196 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC1(C)CC1)CC2 ZINC000625981884 344649365 /nfs/dbraw/zinc/64/93/65/344649365.db2.gz HKGSVPTWAGJYLJ-LLVKDONJSA-N 1 2 247.342 1.670 20 0 BDADLO FCC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000626001973 344662379 /nfs/dbraw/zinc/66/23/79/344662379.db2.gz CIIKPAVCGMKLKW-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO FCC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000626001973 344662380 /nfs/dbraw/zinc/66/23/80/344662380.db2.gz CIIKPAVCGMKLKW-GFCCVEGCSA-N 1 2 224.279 1.642 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CCF)C2)n1 ZINC000626002444 344663195 /nfs/dbraw/zinc/66/31/95/344663195.db2.gz NKMZBHJEYSYMOK-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@@H](CCF)C2)n1 ZINC000626002444 344663197 /nfs/dbraw/zinc/66/31/97/344663197.db2.gz NKMZBHJEYSYMOK-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cncc(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000626004859 344666919 /nfs/dbraw/zinc/66/69/19/344666919.db2.gz PQKNWZYGJOBXTB-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO Cc1cncc(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000626004859 344666920 /nfs/dbraw/zinc/66/69/20/344666920.db2.gz PQKNWZYGJOBXTB-ZDUSSCGKSA-N 1 2 238.306 1.950 20 0 BDADLO CC(C)c1nc(N(C)[C@H](C)CO)cc[nH+]1 ZINC000152961482 344727597 /nfs/dbraw/zinc/72/75/97/344727597.db2.gz WURUKYDAYQXCTI-SECBINFHSA-N 1 2 209.293 1.417 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/C1CCOCC1 ZINC000492856738 530026119 /nfs/dbraw/zinc/02/61/19/530026119.db2.gz WPPZKRIUTLRUSX-NSCUHMNNSA-N 1 2 249.314 1.351 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075531598 344774172 /nfs/dbraw/zinc/77/41/72/344774172.db2.gz ZGSREZBFFKZHKG-VHSXEESVSA-N 1 2 237.303 1.151 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H](O)C2)cs1 ZINC000075616979 344781393 /nfs/dbraw/zinc/78/13/93/344781393.db2.gz XWKUEEPULQDWIG-SNVBAGLBSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H](O)C2)cs1 ZINC000075616979 344781394 /nfs/dbraw/zinc/78/13/94/344781394.db2.gz XWKUEEPULQDWIG-SNVBAGLBSA-N 1 2 242.344 1.246 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](C)OC[C@H]2C)[nH+]1 ZINC000628140306 344805740 /nfs/dbraw/zinc/80/57/40/344805740.db2.gz GLEZWZXVGSJHGC-ZJUUUORDSA-N 1 2 209.293 1.327 20 0 BDADLO CCOCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000076840271 344807341 /nfs/dbraw/zinc/80/73/41/344807341.db2.gz NNFZERQVTPFOQF-UHFFFAOYSA-N 1 2 247.298 1.377 20 0 BDADLO Cc1nnc(N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000077489693 344820980 /nfs/dbraw/zinc/82/09/80/344820980.db2.gz WDZYQBSALZHYGY-UHFFFAOYSA-N 1 2 249.343 1.885 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628148907 344835384 /nfs/dbraw/zinc/83/53/84/344835384.db2.gz DUNIJXYBYIDSEL-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628148907 344835386 /nfs/dbraw/zinc/83/53/86/344835386.db2.gz DUNIJXYBYIDSEL-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CCCCN(CC)C(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000078344763 344850115 /nfs/dbraw/zinc/85/01/15/344850115.db2.gz ACZHHKOFNMBIJR-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000078344763 344850118 /nfs/dbraw/zinc/85/01/18/344850118.db2.gz ACZHHKOFNMBIJR-LBPRGKRZSA-N 1 2 242.363 1.356 20 0 BDADLO Cc1nc(NC[C@@](C)(O)c2ccco2)cc[nH+]1 ZINC000078376453 344856763 /nfs/dbraw/zinc/85/67/63/344856763.db2.gz TWAWOKYXUDMTCI-GFCCVEGCSA-N 1 2 233.271 1.698 20 0 BDADLO Cc1nc(NCCCC(C)(C)CO)cc[nH+]1 ZINC000078303634 344843367 /nfs/dbraw/zinc/84/33/67/344843367.db2.gz WMBZWPYJWYUQCD-UHFFFAOYSA-N 1 2 223.320 1.996 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ccc(F)cn1 ZINC000631088864 344868268 /nfs/dbraw/zinc/86/82/68/344868268.db2.gz HIIAODSPWOCYOA-UHFFFAOYSA-N 1 2 249.293 1.683 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C)[C@H]2C)[nH+]1 ZINC000628175832 344900054 /nfs/dbraw/zinc/90/00/54/344900054.db2.gz LKOYITNEUFNUTM-NXEZZACHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000628176155 344900508 /nfs/dbraw/zinc/90/05/08/344900508.db2.gz YMHDENPUNVVCHI-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000628176155 344900510 /nfs/dbraw/zinc/90/05/10/344900510.db2.gz YMHDENPUNVVCHI-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO CSCCCCCNc1cc(CO)cc[nH+]1 ZINC000603345282 349920944 /nfs/dbraw/zinc/92/09/44/349920944.db2.gz TXLOKDGXAHULOM-UHFFFAOYSA-N 1 2 240.372 1.941 20 0 BDADLO Cc1[nH]c(CN2CCOC3(CCC3)C2)[nH+]c1C ZINC000628183169 344929203 /nfs/dbraw/zinc/92/92/03/344929203.db2.gz SKNJTMQIOKXNHZ-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ccon2)[nH+]c1C ZINC000628181095 344918959 /nfs/dbraw/zinc/91/89/59/344918959.db2.gz QATXUJOIHXXQFL-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2ccon2)[nH+]1 ZINC000628181217 344920096 /nfs/dbraw/zinc/92/00/96/344920096.db2.gz VHJALODEPFTUCF-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO COc1c(O)cccc1C[NH2+]Cc1ccno1 ZINC000583440917 344968584 /nfs/dbraw/zinc/96/85/84/344968584.db2.gz DPZNMNIDMFNGJE-UHFFFAOYSA-N 1 2 234.255 1.679 20 0 BDADLO Cc1c[nH]c(CN2CCOCC23CCCC3)[nH+]1 ZINC000628187617 344939868 /nfs/dbraw/zinc/93/98/68/344939868.db2.gz VHIUGUHLWDJMAW-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCSC[C@@H]2CCO)n1 ZINC000628190004 344942140 /nfs/dbraw/zinc/94/21/40/344942140.db2.gz SXAOLLSZIKFGGE-JTQLQIEISA-N 1 2 241.360 1.018 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCSC[C@@H]2CCO)n1 ZINC000628190004 344942143 /nfs/dbraw/zinc/94/21/43/344942143.db2.gz SXAOLLSZIKFGGE-JTQLQIEISA-N 1 2 241.360 1.018 20 0 BDADLO COc1ccc(NCc2ccon2)[nH+]c1 ZINC000234955759 537882378 /nfs/dbraw/zinc/88/23/78/537882378.db2.gz BOOPTBYZUUATHW-UHFFFAOYSA-N 1 2 205.217 1.690 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C(F)(F)F ZINC000079577391 344992850 /nfs/dbraw/zinc/99/28/50/344992850.db2.gz QGKVJZLJLQEBML-SFYZADRCSA-N 1 2 249.236 1.586 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCOC2(CCC2)C1 ZINC000154174256 345019491 /nfs/dbraw/zinc/01/94/91/345019491.db2.gz BCOSSQXXGZDOSP-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCOC2(CCC2)C1 ZINC000154174256 345019494 /nfs/dbraw/zinc/01/94/94/345019494.db2.gz BCOSSQXXGZDOSP-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000044327132 345022755 /nfs/dbraw/zinc/02/27/55/345022755.db2.gz DZFXJPYKTCXAQW-JTQLQIEISA-N 1 2 219.240 1.476 20 0 BDADLO CC(=O)[C@H](C)SCc1ccc[nH+]c1N ZINC000603323410 349922519 /nfs/dbraw/zinc/92/25/19/349922519.db2.gz YGMJRRSUGSQPHW-QMMMGPOBSA-N 1 2 210.302 1.875 20 0 BDADLO OCc1cc[nH+]c(NCCC2(O)CCC2)c1 ZINC000641563697 362505386 /nfs/dbraw/zinc/50/53/86/362505386.db2.gz PUNYJENZRSJJAF-UHFFFAOYSA-N 1 2 222.288 1.291 20 0 BDADLO CC(C)(CO)CCNc1cc(CO)cc[nH+]1 ZINC000641615145 362547038 /nfs/dbraw/zinc/54/70/38/362547038.db2.gz GDJRTVCGQOXQBP-UHFFFAOYSA-N 1 2 224.304 1.394 20 0 BDADLO C[C@@H](CC(C)(C)O)Nc1cc[nH+]cc1F ZINC000641615379 362548343 /nfs/dbraw/zinc/54/83/43/362548343.db2.gz BSKDXNLHMKHODS-QMMMGPOBSA-N 1 2 212.268 1.604 20 0 BDADLO CCn1ccnc1CNc1cc(CO)cc[nH+]1 ZINC000641616387 362549715 /nfs/dbraw/zinc/54/97/15/362549715.db2.gz MZEOLTLMFUCQRC-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000079993957 345073601 /nfs/dbraw/zinc/07/36/01/345073601.db2.gz IXXDCHOWDCJKMT-GHMZBOCLSA-N 1 2 235.331 1.815 20 0 BDADLO CO[C@H]1CCN(c2cc(CO)cc[nH+]2)C[C@@H]1C ZINC000641618567 362551712 /nfs/dbraw/zinc/55/17/12/362551712.db2.gz HVIJUPJILITOAJ-JQWIXIFHSA-N 1 2 236.315 1.435 20 0 BDADLO C[C@H]1CSC[C@H]1Nc1cc[nH+]cc1F ZINC000641592832 362534393 /nfs/dbraw/zinc/53/43/93/362534393.db2.gz PQTQVCKFOSXSLN-OIBJUYFYSA-N 1 2 212.293 1.806 20 0 BDADLO Cc1cncnc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000641607662 362544210 /nfs/dbraw/zinc/54/42/10/362544210.db2.gz WSTHXYNFGJSPMO-MRVPVSSYSA-N 1 2 203.249 1.681 20 0 BDADLO C[C@]12COC[C@H]1CN(c1cc[nH+]cc1F)C2 ZINC000641658131 362582261 /nfs/dbraw/zinc/58/22/61/362582261.db2.gz BZPRAYQFWLSKIG-SKDRFNHKSA-N 1 2 222.263 1.693 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641646517 362572295 /nfs/dbraw/zinc/57/22/95/362572295.db2.gz UBYAIHBCPDLWES-PWSUYJOCSA-N 1 2 238.331 1.783 20 0 BDADLO C[C@H](COCC1CC1)Nc1cc[nH+]cc1F ZINC000641652074 362578962 /nfs/dbraw/zinc/57/89/62/362578962.db2.gz PRAAMJLDGPBKLR-SECBINFHSA-N 1 2 224.279 1.870 20 0 BDADLO OCc1cc[nH+]c(N2CCC[C@]3(CCOC3)C2)c1 ZINC000641628648 362559499 /nfs/dbraw/zinc/55/94/99/362559499.db2.gz FHVBGNLUFPJABW-AWEZNQCLSA-N 1 2 248.326 1.581 20 0 BDADLO C[C@H]1C[C@@H](CO)CN(c2cc[nH+]cc2F)C1 ZINC000641639552 362567205 /nfs/dbraw/zinc/56/72/05/362567205.db2.gz IWCAOJGUAOQEPB-VHSXEESVSA-N 1 2 224.279 1.675 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccon2)c(OC)n1 ZINC000634981236 345161166 /nfs/dbraw/zinc/16/11/66/345161166.db2.gz BRIQZTPMAPMSHG-UHFFFAOYSA-N 1 2 249.270 1.377 20 0 BDADLO CCOC(=O)C[C@@H](C)CNc1cc[nH+]cc1F ZINC000603331480 349924701 /nfs/dbraw/zinc/92/47/01/349924701.db2.gz GZYRQCNQAKUWFP-SECBINFHSA-N 1 2 240.278 1.644 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000306258182 345139572 /nfs/dbraw/zinc/13/95/72/345139572.db2.gz RMCVOBLKFUHPRS-WDSKDSINSA-N 1 2 212.684 1.923 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000306258182 345139573 /nfs/dbraw/zinc/13/95/73/345139573.db2.gz RMCVOBLKFUHPRS-WDSKDSINSA-N 1 2 212.684 1.923 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156432883 345157669 /nfs/dbraw/zinc/15/76/69/345157669.db2.gz ODINZPUDVJFDRT-QJPTWQEYSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156432883 345157670 /nfs/dbraw/zinc/15/76/70/345157670.db2.gz ODINZPUDVJFDRT-QJPTWQEYSA-N 1 2 242.363 1.256 20 0 BDADLO CCCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635057009 345230769 /nfs/dbraw/zinc/23/07/69/345230769.db2.gz OPSNHAFDAQIBIO-UHFFFAOYSA-N 1 2 223.320 1.821 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC1 ZINC000635058830 345232221 /nfs/dbraw/zinc/23/22/21/345232221.db2.gz HVASXIVYBJLLLT-RKDXNWHRSA-N 1 2 205.261 1.136 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC1 ZINC000635058830 345232224 /nfs/dbraw/zinc/23/22/24/345232224.db2.gz HVASXIVYBJLLLT-RKDXNWHRSA-N 1 2 205.261 1.136 20 0 BDADLO CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635062213 345233423 /nfs/dbraw/zinc/23/34/23/345233423.db2.gz JIBURCYKQWTERI-RKDXNWHRSA-N 1 2 207.277 1.382 20 0 BDADLO CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635062213 345233426 /nfs/dbraw/zinc/23/34/26/345233426.db2.gz JIBURCYKQWTERI-RKDXNWHRSA-N 1 2 207.277 1.382 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC[C@H](C)C2)[nH+]1 ZINC000635063628 345234960 /nfs/dbraw/zinc/23/49/60/345234960.db2.gz MWEVABWDQOUWNY-JTQLQIEISA-N 1 2 235.331 1.773 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635066077 345237782 /nfs/dbraw/zinc/23/77/82/345237782.db2.gz PVJKTQLUNMZFHB-NXEZZACHSA-N 1 2 228.255 1.547 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635066077 345237785 /nfs/dbraw/zinc/23/77/85/345237785.db2.gz PVJKTQLUNMZFHB-NXEZZACHSA-N 1 2 228.255 1.547 20 0 BDADLO CC(C)N(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000574891211 345246323 /nfs/dbraw/zinc/24/63/23/345246323.db2.gz QUMVHRGSTZCVNC-UHFFFAOYSA-N 1 2 207.277 1.283 20 0 BDADLO NC(=O)CSCCc1[nH]c2ccccc2[nH+]1 ZINC000603334742 349926594 /nfs/dbraw/zinc/92/65/94/349926594.db2.gz NKJDGODYRKBIPY-UHFFFAOYSA-N 1 2 235.312 1.324 20 0 BDADLO CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635205677 345271775 /nfs/dbraw/zinc/27/17/75/345271775.db2.gz LEBNWVKOKPYYMQ-LURJTMIESA-N 1 2 221.182 1.123 20 0 BDADLO CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635205678 345271989 /nfs/dbraw/zinc/27/19/89/345271989.db2.gz LEBNWVKOKPYYMQ-ZCFIWIBFSA-N 1 2 221.182 1.123 20 0 BDADLO CCC(O)(CC)C[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000626111638 345273978 /nfs/dbraw/zinc/27/39/78/345273978.db2.gz VGNCSIUEFONXML-SECBINFHSA-N 1 2 241.335 1.922 20 0 BDADLO CCC(O)(CC)C[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000626111638 345273979 /nfs/dbraw/zinc/27/39/79/345273979.db2.gz VGNCSIUEFONXML-SECBINFHSA-N 1 2 241.335 1.922 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC000635225421 345278453 /nfs/dbraw/zinc/27/84/53/345278453.db2.gz FYIPNCPPUDKSHM-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC000635225421 345278455 /nfs/dbraw/zinc/27/84/55/345278455.db2.gz FYIPNCPPUDKSHM-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cocn1 ZINC000130791700 345284165 /nfs/dbraw/zinc/28/41/65/345284165.db2.gz OVOXNTHAFFVNJR-UHFFFAOYSA-N 1 2 248.286 1.457 20 0 BDADLO CC(C)=C(C)CC(=O)NCCn1cc[nH+]c1 ZINC000635279191 345294538 /nfs/dbraw/zinc/29/45/38/345294538.db2.gz FIOWUXICCAOLRE-UHFFFAOYSA-N 1 2 221.304 1.746 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2cccc(C)n2)[nH+]1 ZINC000635337965 345312382 /nfs/dbraw/zinc/31/23/82/345312382.db2.gz NKZKWTYNXQVXHU-UHFFFAOYSA-N 1 2 244.298 1.857 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N(C)C#N)cc2n1C ZINC000562318979 345341788 /nfs/dbraw/zinc/34/17/88/345341788.db2.gz IFWLQXQEJMDXCF-UHFFFAOYSA-N 1 2 228.255 1.435 20 0 BDADLO O=C(C[C@H]1CCOC1)NCCNc1cccc[nH+]1 ZINC000562349814 345359056 /nfs/dbraw/zinc/35/90/56/345359056.db2.gz UAGITUJGLJQONR-LLVKDONJSA-N 1 2 249.314 1.036 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2cc(C)on2)[nH+]1 ZINC000635425670 345362525 /nfs/dbraw/zinc/36/25/25/345362525.db2.gz NITYTMBMHDPVTG-UHFFFAOYSA-N 1 2 248.286 1.127 20 0 BDADLO CC(C)C[C@H](C(=O)N=c1cc[nH][nH]1)n1cc[nH+]c1 ZINC000635445139 345374298 /nfs/dbraw/zinc/37/42/98/345374298.db2.gz VOHAWZIQFUJQPC-SNVBAGLBSA-N 1 2 247.302 1.254 20 0 BDADLO CC(C)C[N@H+](CC(N)=O)Cc1nccs1 ZINC000134980535 345428881 /nfs/dbraw/zinc/42/88/81/345428881.db2.gz UVIKYCQGSZSMID-UHFFFAOYSA-N 1 2 227.333 1.086 20 0 BDADLO CC(C)C[N@@H+](CC(N)=O)Cc1nccs1 ZINC000134980535 345428882 /nfs/dbraw/zinc/42/88/82/345428882.db2.gz UVIKYCQGSZSMID-UHFFFAOYSA-N 1 2 227.333 1.086 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CC[C@@H](F)C1)c1c[nH]c[nH+]1 ZINC000574893266 345431322 /nfs/dbraw/zinc/43/13/22/345431322.db2.gz RLVMWUOYUOEYRA-RKDXNWHRSA-N 1 2 239.294 1.694 20 0 BDADLO CC[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000080762135 345449450 /nfs/dbraw/zinc/44/94/50/345449450.db2.gz JSYJCQJMZPUJCC-SECBINFHSA-N 1 2 223.320 1.957 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635486190 345394321 /nfs/dbraw/zinc/39/43/21/345394321.db2.gz CWZXFPBVPPNBJQ-HBNTYKKESA-N 1 2 233.315 1.914 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635486190 345394324 /nfs/dbraw/zinc/39/43/24/345394324.db2.gz CWZXFPBVPPNBJQ-HBNTYKKESA-N 1 2 233.315 1.914 20 0 BDADLO CCc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1O ZINC000081780758 345492143 /nfs/dbraw/zinc/49/21/43/345492143.db2.gz LRTUTKGTCXGCJQ-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO Cc1nc(N2CC([C@H](C)O)C2)c2c([nH+]1)CCCC2 ZINC000641659973 362585090 /nfs/dbraw/zinc/58/50/90/362585090.db2.gz YDAZDBXCYICUJM-VIFPVBQESA-N 1 2 247.342 1.481 20 0 BDADLO C[C@H](O)C1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000641660195 362586705 /nfs/dbraw/zinc/58/67/05/362586705.db2.gz XXMNAXGJNNGPQY-QMMMGPOBSA-N 1 2 219.288 1.171 20 0 BDADLO Cc1cncc(CCNc2cc[nH+]cc2F)n1 ZINC000641660756 362587531 /nfs/dbraw/zinc/58/75/31/362587531.db2.gz JYIZUQNEQRVHMA-UHFFFAOYSA-N 1 2 232.262 1.396 20 0 BDADLO C[C@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1CO ZINC000641674511 362592249 /nfs/dbraw/zinc/59/22/49/362592249.db2.gz ZLRYIOUOZLNHKG-VHSXEESVSA-N 1 2 224.279 1.675 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)CCO)[nH+]1 ZINC000081002323 345458230 /nfs/dbraw/zinc/45/82/30/345458230.db2.gz XWKWAFGVSINXNS-SSDOTTSWSA-N 1 2 220.276 1.449 20 0 BDADLO CC(C)Cn1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000081345564 345470604 /nfs/dbraw/zinc/47/06/04/345470604.db2.gz XUZDPEXJDYGXAP-UHFFFAOYSA-N 1 2 247.302 1.374 20 0 BDADLO C[C@@H]1CCC[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000081453296 345475295 /nfs/dbraw/zinc/47/52/95/345475295.db2.gz DBLPKWCIAZUXIR-NEPJUHHUSA-N 1 2 235.331 1.920 20 0 BDADLO C[S@@](=O)CCCNc1cc[nH+]c2ccncc12 ZINC000085686494 345528564 /nfs/dbraw/zinc/52/85/64/345528564.db2.gz SUEAMINAZWAZOM-KRWDZBQOSA-N 1 2 249.339 1.810 20 0 BDADLO CC1(C)CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000137274728 345596261 /nfs/dbraw/zinc/59/62/61/345596261.db2.gz FCKIQHRXMOWSQG-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CCC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591454 345600355 /nfs/dbraw/zinc/60/03/55/345600355.db2.gz JWHMXSOFVPQNEV-VIFPVBQESA-N 1 2 224.308 1.110 20 0 BDADLO CCC[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000091591454 345600357 /nfs/dbraw/zinc/60/03/57/345600357.db2.gz JWHMXSOFVPQNEV-VIFPVBQESA-N 1 2 224.308 1.110 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000092041284 345614323 /nfs/dbraw/zinc/61/43/23/345614323.db2.gz CKVFNLDIWKFFJR-GWCFXTLKSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000092041284 345614327 /nfs/dbraw/zinc/61/43/27/345614327.db2.gz CKVFNLDIWKFFJR-GWCFXTLKSA-N 1 2 239.315 1.424 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]cc2F)CC[S@](=O)C1 ZINC000603361510 349933080 /nfs/dbraw/zinc/93/30/80/349933080.db2.gz ZOZPSDIRULBAOA-ABKXIKBNSA-N 1 2 242.319 1.426 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000093313015 345660942 /nfs/dbraw/zinc/66/09/42/345660942.db2.gz MZGNNNIIBSBNIV-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000093313015 345660946 /nfs/dbraw/zinc/66/09/46/345660946.db2.gz MZGNNNIIBSBNIV-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@H+](C)Cc1csc(COC)n1 ZINC000093311974 345661412 /nfs/dbraw/zinc/66/14/12/345661412.db2.gz XDBPQBZXOUFESM-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO CCOCC[N@@H+](C)Cc1csc(COC)n1 ZINC000093311974 345661413 /nfs/dbraw/zinc/66/14/13/345661413.db2.gz XDBPQBZXOUFESM-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO Cn1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1 ZINC000093809882 345664661 /nfs/dbraw/zinc/66/46/61/345664661.db2.gz PNBLIEPTECWDMA-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cn1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1 ZINC000093809882 345664665 /nfs/dbraw/zinc/66/46/65/345664665.db2.gz PNBLIEPTECWDMA-GFCCVEGCSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000093837547 345665357 /nfs/dbraw/zinc/66/53/57/345665357.db2.gz HMKRNBDPDKLGMB-NSHDSACASA-N 1 2 225.336 1.557 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000093837547 345665359 /nfs/dbraw/zinc/66/53/59/345665359.db2.gz HMKRNBDPDKLGMB-NSHDSACASA-N 1 2 225.336 1.557 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccsc2)C1 ZINC000093888210 345667252 /nfs/dbraw/zinc/66/72/52/345667252.db2.gz PRLXOCQWASPXTO-LLVKDONJSA-N 1 2 243.303 1.835 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccsc2)C1 ZINC000093888210 345667253 /nfs/dbraw/zinc/66/72/53/345667253.db2.gz PRLXOCQWASPXTO-LLVKDONJSA-N 1 2 243.303 1.835 20 0 BDADLO Fc1ccccc1CC[NH+]1CCOCC1 ZINC000137536310 345648648 /nfs/dbraw/zinc/64/86/48/345648648.db2.gz JSMCEHBLEPHKMO-UHFFFAOYSA-N 1 2 209.264 1.700 20 0 BDADLO O[C@H]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]cc1F)C2 ZINC000641683717 362603365 /nfs/dbraw/zinc/60/33/65/362603365.db2.gz OLQJBNXUXOWQTQ-UTLUCORTSA-N 1 2 222.263 1.570 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000093084904 345656788 /nfs/dbraw/zinc/65/67/88/345656788.db2.gz FOCFEWVEAAHIRL-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncsc1C[N@H+]1CCNC(=O)C1(C)C ZINC000093084904 345656791 /nfs/dbraw/zinc/65/67/91/345656791.db2.gz FOCFEWVEAAHIRL-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000641690775 362605680 /nfs/dbraw/zinc/60/56/80/362605680.db2.gz SCBBOIFWUCVBBT-CABZTGNLSA-N 1 2 222.263 1.622 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)[C@@H](CCO)c1ccccc1 ZINC000093442534 345670503 /nfs/dbraw/zinc/67/05/03/345670503.db2.gz UPCKQGLIPSLHOO-AWEZNQCLSA-N 1 2 245.326 1.965 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)[C@@H](CCO)c1ccccc1 ZINC000093442534 345670504 /nfs/dbraw/zinc/67/05/04/345670504.db2.gz UPCKQGLIPSLHOO-AWEZNQCLSA-N 1 2 245.326 1.965 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]cn1 ZINC000093455420 345671665 /nfs/dbraw/zinc/67/16/65/345671665.db2.gz IDXDPBPWXOBWPC-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000093455420 345671666 /nfs/dbraw/zinc/67/16/66/345671666.db2.gz IDXDPBPWXOBWPC-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cnc[nH]1 ZINC000093455420 345671667 /nfs/dbraw/zinc/67/16/67/345671667.db2.gz IDXDPBPWXOBWPC-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000093455420 345671668 /nfs/dbraw/zinc/67/16/68/345671668.db2.gz IDXDPBPWXOBWPC-AWEZNQCLSA-N 1 2 243.310 1.501 20 0 BDADLO C1=CCC(Cn2cc[nH+]c2CN2CCOCC2)C1 ZINC000641728673 362650362 /nfs/dbraw/zinc/65/03/62/362650362.db2.gz XMXQJWINGXPWLW-UHFFFAOYSA-N 1 2 247.342 1.682 20 0 BDADLO Cc1cccc(CC[NH+]2CCOCC2)n1 ZINC000138095396 345693943 /nfs/dbraw/zinc/69/39/43/345693943.db2.gz LXRDFVTYUXQMGE-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO O=C(NCc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000225805329 345751183 /nfs/dbraw/zinc/75/11/83/345751183.db2.gz OIDMUOTVGVZOMK-JTQLQIEISA-N 1 2 240.253 1.300 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C=CCCC1 ZINC000137311204 345842779 /nfs/dbraw/zinc/84/27/79/345842779.db2.gz MMTQMVUFSHOVBE-SNVBAGLBSA-N 1 2 205.261 1.108 20 0 BDADLO CN(CCC1CC1)C(=O)CCCn1cc[nH+]c1 ZINC000154240747 537914096 /nfs/dbraw/zinc/91/40/96/537914096.db2.gz NJJIAZGUWPUXRB-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO Cc1cc(NC(=O)Cc2cc[nH]n2)cc[nH+]1 ZINC000175085887 345897614 /nfs/dbraw/zinc/89/76/14/345897614.db2.gz NWEGEBAPOZAKJM-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)C(F)F ZINC000684340582 488295200 /nfs/dbraw/zinc/29/52/00/488295200.db2.gz OEMOUYDVAZNRJS-UHFFFAOYSA-N 1 2 231.246 1.123 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000635650386 345928742 /nfs/dbraw/zinc/92/87/42/345928742.db2.gz XQPVNIFHFHKGTB-ZJUUUORDSA-N 1 2 235.331 1.772 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CC(C)C2)[nH+]1 ZINC000635641227 345914180 /nfs/dbraw/zinc/91/41/80/345914180.db2.gz BDSCONRARWFBRT-UHFFFAOYSA-N 1 2 221.304 1.429 20 0 BDADLO COCCCCN(C)c1[nH+]cnc2c1cnn2C ZINC000419012154 192093296 /nfs/dbraw/zinc/09/32/96/192093296.db2.gz CXTZMZQHRKQCBX-UHFFFAOYSA-N 1 2 249.318 1.226 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC2(C)CCC2)[nH+]1 ZINC000635656867 345936673 /nfs/dbraw/zinc/93/66/73/345936673.db2.gz RLGBRGUVDFXCNQ-UHFFFAOYSA-N 1 2 235.331 1.821 20 0 BDADLO Cc1ccnc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000605570820 345969032 /nfs/dbraw/zinc/96/90/32/345969032.db2.gz JBLRGAFQQZBTRJ-LBPRGKRZSA-N 1 2 243.314 1.823 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@H]3CCC[C@@H]3C2)[nH+]1 ZINC000635673222 345971264 /nfs/dbraw/zinc/97/12/64/345971264.db2.gz FYLYRJZUXPVMHS-GHMZBOCLSA-N 1 2 247.342 1.773 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635689059 345974221 /nfs/dbraw/zinc/97/42/21/345974221.db2.gz UCNOYJBXKTWVIN-NXEZZACHSA-N 1 2 231.299 1.572 20 0 BDADLO O=C(NC1(C2CC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635689059 345974223 /nfs/dbraw/zinc/97/42/23/345974223.db2.gz UCNOYJBXKTWVIN-NXEZZACHSA-N 1 2 231.299 1.572 20 0 BDADLO CC(C)C[C@H](C(=O)NCCCF)n1cc[nH+]c1 ZINC000635704368 345990355 /nfs/dbraw/zinc/99/03/55/345990355.db2.gz HGZYBAKQVJEFHV-LLVKDONJSA-N 1 2 241.310 1.946 20 0 BDADLO CCc1cc(NC[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000603384464 349941444 /nfs/dbraw/zinc/94/14/44/349941444.db2.gz HFHMWEFCCYUEBE-LLVKDONJSA-N 1 2 245.330 1.406 20 0 BDADLO COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635726055 346037335 /nfs/dbraw/zinc/03/73/35/346037335.db2.gz RRQHDPKPAKXODY-CKYFFXLPSA-N 1 2 249.314 1.054 20 0 BDADLO COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635726055 346037339 /nfs/dbraw/zinc/03/73/39/346037339.db2.gz RRQHDPKPAKXODY-CKYFFXLPSA-N 1 2 249.314 1.054 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC000635729354 346041642 /nfs/dbraw/zinc/04/16/42/346041642.db2.gz MVJFKAONJPKAME-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000635729354 346041644 /nfs/dbraw/zinc/04/16/44/346041644.db2.gz MVJFKAONJPKAME-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO CC(C)[C@@](C)(O)CNc1[nH+]cnc2c1cnn2C ZINC000171987507 346069883 /nfs/dbraw/zinc/06/98/83/346069883.db2.gz GPXNXPKRMFTHQU-LBPRGKRZSA-N 1 2 249.318 1.182 20 0 BDADLO C[C@@H]1CSCC[N@@H+]1Cc1ncccn1 ZINC000192035229 346079995 /nfs/dbraw/zinc/07/99/95/346079995.db2.gz LFFCCZNNUYIALT-SECBINFHSA-N 1 2 209.318 1.414 20 0 BDADLO C[C@@H]1CSCC[N@H+]1Cc1ncccn1 ZINC000192035229 346079996 /nfs/dbraw/zinc/07/99/96/346079996.db2.gz LFFCCZNNUYIALT-SECBINFHSA-N 1 2 209.318 1.414 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635841625 346083326 /nfs/dbraw/zinc/08/33/26/346083326.db2.gz YWCGDWRVBUJFIY-AXTSPUMRSA-N 1 2 237.303 1.053 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635841625 346083328 /nfs/dbraw/zinc/08/33/28/346083328.db2.gz YWCGDWRVBUJFIY-AXTSPUMRSA-N 1 2 237.303 1.053 20 0 BDADLO CC(C)=C(C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000635985626 346138966 /nfs/dbraw/zinc/13/89/66/346138966.db2.gz IZMNHUUMNLUVDF-LLVKDONJSA-N 1 2 233.315 1.670 20 0 BDADLO O=C(C1CCC=CCC1)N1CCn2c[nH+]cc2C1 ZINC000635944652 346118793 /nfs/dbraw/zinc/11/87/93/346118793.db2.gz KSNUZANEOXNRTH-UHFFFAOYSA-N 1 2 245.326 1.972 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@H](C)[C@@H]2C)[nH+]1 ZINC000635965776 346125132 /nfs/dbraw/zinc/12/51/32/346125132.db2.gz LWSFIPIPOSZGJX-IUCAKERBSA-N 1 2 221.304 1.381 20 0 BDADLO Cc1cn2ccc(C(=O)N3CC[C@H](F)C3)cc2[nH+]1 ZINC000635984080 346137975 /nfs/dbraw/zinc/13/79/75/346137975.db2.gz RYMGPHKTNSOXAZ-NSHDSACASA-N 1 2 247.273 1.827 20 0 BDADLO CC/C=C/CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635984605 346138177 /nfs/dbraw/zinc/13/81/77/346138177.db2.gz SACKMAQWHPSVED-AATRIKPKSA-N 1 2 221.304 1.597 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CC[C@@H](F)C2)[nH+]1 ZINC000635982346 346146995 /nfs/dbraw/zinc/14/69/95/346146995.db2.gz CXQXHPFRDZUJKW-MRVPVSSYSA-N 1 2 225.267 1.085 20 0 BDADLO CC1(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000635998378 346150086 /nfs/dbraw/zinc/15/00/86/346150086.db2.gz DWMHNHATCKSDMW-NXEZZACHSA-N 1 2 245.326 1.962 20 0 BDADLO CC1(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000635998378 346150088 /nfs/dbraw/zinc/15/00/88/346150088.db2.gz DWMHNHATCKSDMW-NXEZZACHSA-N 1 2 245.326 1.962 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)O1 ZINC000636015726 346156942 /nfs/dbraw/zinc/15/69/42/346156942.db2.gz NSZPRNFSVFFENW-UKKRHICBSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)O1 ZINC000636015726 346156945 /nfs/dbraw/zinc/15/69/45/346156945.db2.gz NSZPRNFSVFFENW-UKKRHICBSA-N 1 2 249.314 1.197 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000245539795 537952718 /nfs/dbraw/zinc/95/27/18/537952718.db2.gz LLSYEIWMNXCSJP-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)[C@@H](C)CO1 ZINC000245539795 537952725 /nfs/dbraw/zinc/95/27/25/537952725.db2.gz LLSYEIWMNXCSJP-VHSXEESVSA-N 1 2 207.277 1.086 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@@H](C(C)C)C2)o1 ZINC000628235126 346188448 /nfs/dbraw/zinc/18/84/48/346188448.db2.gz ZQYPXORHTWGBRP-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@@H](C(C)C)C2)o1 ZINC000628235126 346188451 /nfs/dbraw/zinc/18/84/51/346188451.db2.gz ZQYPXORHTWGBRP-GFCCVEGCSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)CCc2cnccn2)n1 ZINC000628235209 346188853 /nfs/dbraw/zinc/18/88/53/346188853.db2.gz CPVBATHLBKPNNY-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)CCc2cnccn2)n1 ZINC000628235209 346188858 /nfs/dbraw/zinc/18/88/58/346188858.db2.gz CPVBATHLBKPNNY-UHFFFAOYSA-N 1 2 231.303 1.183 20 0 BDADLO CC(C)c1nc(NCc2cc[nH]n2)cc[nH+]1 ZINC000381516444 346230255 /nfs/dbraw/zinc/23/02/55/346230255.db2.gz RBEVDWHTSLOCTA-UHFFFAOYSA-N 1 2 217.276 1.357 20 0 BDADLO Cc1nc(N2CC[C@H](c3ccco3)C2)nc(N)[nH+]1 ZINC000631115562 346239209 /nfs/dbraw/zinc/23/92/09/346239209.db2.gz VUOJLJKEAZEECR-VIFPVBQESA-N 1 2 245.286 1.179 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](c3ccco3)C2)[nH+]1 ZINC000631115562 346239210 /nfs/dbraw/zinc/23/92/10/346239210.db2.gz VUOJLJKEAZEECR-VIFPVBQESA-N 1 2 245.286 1.179 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)o1 ZINC000628255247 346248449 /nfs/dbraw/zinc/24/84/49/346248449.db2.gz HHZKBXADRGFHCR-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)o1 ZINC000628255247 346248451 /nfs/dbraw/zinc/24/84/51/346248451.db2.gz HHZKBXADRGFHCR-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO FCC[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000628258362 346258848 /nfs/dbraw/zinc/25/88/48/346258848.db2.gz ANRKOYNRXOCBEG-UHFFFAOYSA-N 1 2 238.241 1.466 20 0 BDADLO C/C=C\C[C@H]1CCC[N@H+](Cc2nnn(C)n2)C1 ZINC000626163283 346275208 /nfs/dbraw/zinc/27/52/08/346275208.db2.gz HYKMFHLZGDHXHR-BYCRGOAPSA-N 1 2 235.335 1.388 20 0 BDADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2nnn(C)n2)C1 ZINC000626163283 346275211 /nfs/dbraw/zinc/27/52/11/346275211.db2.gz HYKMFHLZGDHXHR-BYCRGOAPSA-N 1 2 235.335 1.388 20 0 BDADLO CC(C)([NH2+]Cc1ccncc1N)C(F)F ZINC000641749580 362670289 /nfs/dbraw/zinc/67/02/89/362670289.db2.gz FMUYJMFABHSQPD-UHFFFAOYSA-N 1 2 215.247 1.797 20 0 BDADLO O=C(N1CCn2c[nH+]cc2C1)N1CCCCCC1 ZINC000641752709 362677576 /nfs/dbraw/zinc/67/75/76/362677576.db2.gz MCQQDBIJAUSVNJ-UHFFFAOYSA-N 1 2 248.330 1.695 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636056633 346303920 /nfs/dbraw/zinc/30/39/20/346303920.db2.gz RUWLCRRLOCKEJU-NQMVMOMDSA-N 1 2 217.272 1.182 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636056633 346303921 /nfs/dbraw/zinc/30/39/21/346303921.db2.gz RUWLCRRLOCKEJU-NQMVMOMDSA-N 1 2 217.272 1.182 20 0 BDADLO Cc1cccc(C)c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000122156506 179035394 /nfs/dbraw/zinc/03/53/94/179035394.db2.gz XEDKZRGSVYYFOR-LBPRGKRZSA-N 1 2 204.317 1.836 20 0 BDADLO Cc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000122156506 179035396 /nfs/dbraw/zinc/03/53/96/179035396.db2.gz XEDKZRGSVYYFOR-LBPRGKRZSA-N 1 2 204.317 1.836 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC000636108410 346321612 /nfs/dbraw/zinc/32/16/12/346321612.db2.gz KYZFRTHYIALDJS-RKDXNWHRSA-N 1 2 221.304 1.770 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC000636108410 346321613 /nfs/dbraw/zinc/32/16/13/346321613.db2.gz KYZFRTHYIALDJS-RKDXNWHRSA-N 1 2 221.304 1.770 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](CC)C2CC2)[nH+]1 ZINC000636201329 346351204 /nfs/dbraw/zinc/35/12/04/346351204.db2.gz JPPXAIBQPPSBEB-NSHDSACASA-N 1 2 235.331 1.819 20 0 BDADLO CCc1c[nH]c(CC(=O)NC2CC(C)(C)C2)[nH+]1 ZINC000636244881 346367008 /nfs/dbraw/zinc/36/70/08/346367008.db2.gz NYEHRZCSTVNVSS-UHFFFAOYSA-N 1 2 235.331 1.819 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1ccncc1N ZINC000641773100 362713139 /nfs/dbraw/zinc/71/31/39/362713139.db2.gz DVNWFGXEAUVTSP-UHFFFAOYSA-N 1 2 215.247 1.799 20 0 BDADLO c1cc(C[NH2+]Cc2ccc3c(c2)OCO3)no1 ZINC000148653012 346376644 /nfs/dbraw/zinc/37/66/44/346376644.db2.gz LMFBMFZZQNMDMF-UHFFFAOYSA-N 1 2 232.239 1.693 20 0 BDADLO CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@@H]2C1)n1cc[nH+]c1 ZINC000636252026 346369428 /nfs/dbraw/zinc/36/94/28/346369428.db2.gz QJCWLSZGEWEIJF-FRRDWIJNSA-N 1 2 247.342 1.949 20 0 BDADLO CC(C)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000684467169 488317128 /nfs/dbraw/zinc/31/71/28/488317128.db2.gz DRKYYRLBNDUQCV-UHFFFAOYSA-N 1 2 235.331 1.467 20 0 BDADLO Cc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295034483 179072521 /nfs/dbraw/zinc/07/25/21/179072521.db2.gz OFGDDOZSTRRDFO-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO Cc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295034483 179072522 /nfs/dbraw/zinc/07/25/22/179072522.db2.gz OFGDDOZSTRRDFO-NSHDSACASA-N 1 2 218.300 1.315 20 0 BDADLO C[C@@H]1CCN(Cc2[nH+]ccn2C)C[C@H]1F ZINC000679217898 488317836 /nfs/dbraw/zinc/31/78/36/488317836.db2.gz KWIIEECEPUUJSZ-NXEZZACHSA-N 1 2 211.284 1.600 20 0 BDADLO Cc1nc(C[NH2+]Cc2cccnc2)[nH]c1C ZINC000574928402 346413536 /nfs/dbraw/zinc/41/35/36/346413536.db2.gz UTJLOCNDIGFKBJ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1[nH]c(CNCc2cccnc2)[nH+]c1C ZINC000574928402 346413543 /nfs/dbraw/zinc/41/35/43/346413543.db2.gz UTJLOCNDIGFKBJ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO Cc1cccc(C[N@@H+]2CCO[C@H](CO)C2)c1F ZINC000294884900 179078567 /nfs/dbraw/zinc/07/85/67/179078567.db2.gz QYXNVEXGAYRNBP-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1cccc(C[N@H+]2CCO[C@H](CO)C2)c1F ZINC000294884900 179078568 /nfs/dbraw/zinc/07/85/68/179078568.db2.gz QYXNVEXGAYRNBP-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC=CCC1 ZINC000684473188 488318732 /nfs/dbraw/zinc/31/87/32/488318732.db2.gz OFZNCEYVHNFCGT-UHFFFAOYSA-N 1 2 205.261 1.131 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC=CCC1 ZINC000684473188 488318733 /nfs/dbraw/zinc/31/87/33/488318733.db2.gz OFZNCEYVHNFCGT-UHFFFAOYSA-N 1 2 205.261 1.131 20 0 BDADLO Cc1ccc2[nH+]c(NCc3ncnn3C)[nH]c2c1 ZINC000641795410 362737130 /nfs/dbraw/zinc/73/71/30/362737130.db2.gz YTEVKIFMMPWMCO-UHFFFAOYSA-N 1 2 242.286 1.034 20 0 BDADLO Cc1ccc(NC(=O)c2cnn(C)c2N)c(C)[nH+]1 ZINC000148581200 537980209 /nfs/dbraw/zinc/98/02/09/537980209.db2.gz LJBLXLMBQFMNSY-UHFFFAOYSA-N 1 2 245.286 1.266 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)C(F)F ZINC000641794180 362734473 /nfs/dbraw/zinc/73/44/73/362734473.db2.gz RDHUIKZWCNDHIO-ZCFIWIBFSA-N 1 2 235.303 1.952 20 0 BDADLO C[C@@H](CC(=O)N1OC2CCC1CC2)n1cc[nH+]c1 ZINC000636404101 346475100 /nfs/dbraw/zinc/47/51/00/346475100.db2.gz YYYNLWFMDALCGX-UNXYVOJBSA-N 1 2 249.314 1.919 20 0 BDADLO CCc1c[nH]c(CC(=O)N2OC3CCC2CC3)[nH+]1 ZINC000636404085 346475192 /nfs/dbraw/zinc/47/51/92/346475192.db2.gz YKHSAAHWJVPORZ-UHFFFAOYSA-N 1 2 249.314 1.600 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](CC)OC)C(=O)OC ZINC000419207434 192103621 /nfs/dbraw/zinc/10/36/21/192103621.db2.gz OVQARDNLYAAIHF-ZYHUDNBSSA-N 1 2 231.336 1.733 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000577107236 365818716 /nfs/dbraw/zinc/81/87/16/365818716.db2.gz KUIHYPRYHGYPGQ-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000577107236 365818722 /nfs/dbraw/zinc/81/87/22/365818722.db2.gz KUIHYPRYHGYPGQ-UHFFFAOYSA-N 1 2 246.314 1.131 20 0 BDADLO O=C(NCCCC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161787956 346499703 /nfs/dbraw/zinc/49/97/03/346499703.db2.gz ASGHLJZTLYWOBE-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO O=C(NC1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636444158 346562903 /nfs/dbraw/zinc/56/29/03/346562903.db2.gz REGISSYNLIPJCU-JTQLQIEISA-N 1 2 234.303 1.050 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000580144468 346553811 /nfs/dbraw/zinc/55/38/11/346553811.db2.gz RJAMFOPIAMTCHZ-NSHDSACASA-N 1 2 248.330 1.491 20 0 BDADLO OCC1C[NH+](Cc2cc(Br)c[nH]2)C1 ZINC000164437324 346604783 /nfs/dbraw/zinc/60/47/83/346604783.db2.gz DRQVPOLQRACRDF-UHFFFAOYSA-N 1 2 245.120 1.201 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000188051600 346712637 /nfs/dbraw/zinc/71/26/37/346712637.db2.gz UAJHCISCJJTNEP-WZRBSPASSA-N 1 2 249.358 1.904 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000589604216 346717594 /nfs/dbraw/zinc/71/75/94/346717594.db2.gz MGJUQNSCHGHEJP-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000589604216 346717597 /nfs/dbraw/zinc/71/75/97/346717597.db2.gz MGJUQNSCHGHEJP-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2cccnc2)CCO1 ZINC000626174356 346757373 /nfs/dbraw/zinc/75/73/73/346757373.db2.gz PMXMQJXXLVGOAL-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2cccnc2)CCO1 ZINC000626174356 346757375 /nfs/dbraw/zinc/75/73/75/346757375.db2.gz PMXMQJXXLVGOAL-CYBMUJFWSA-N 1 2 236.315 1.319 20 0 BDADLO CC[C@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590007845 346762883 /nfs/dbraw/zinc/76/28/83/346762883.db2.gz WCLLENIIICUJJT-JTQLQIEISA-N 1 2 234.299 1.717 20 0 BDADLO Cc1cccc(OCC[N@@H+](C)Cc2cnn[nH]2)c1 ZINC000296202637 179166833 /nfs/dbraw/zinc/16/68/33/179166833.db2.gz CFVHBBSQAXAFBL-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1cccc(OCC[N@H+](C)Cc2cnn[nH]2)c1 ZINC000296202637 179166836 /nfs/dbraw/zinc/16/68/36/179166836.db2.gz CFVHBBSQAXAFBL-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[C@@H]1C ZINC000641828665 362776245 /nfs/dbraw/zinc/77/62/45/362776245.db2.gz ROBCODBKMJVMLR-VHSXEESVSA-N 1 2 236.319 1.768 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000387935204 347128972 /nfs/dbraw/zinc/12/89/72/347128972.db2.gz ZMHIZSFSWAPJCG-MWLCHTKSSA-N 1 2 221.304 1.708 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000387935204 347128975 /nfs/dbraw/zinc/12/89/75/347128975.db2.gz ZMHIZSFSWAPJCG-MWLCHTKSSA-N 1 2 221.304 1.708 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC2)C1 ZINC000582071163 347172505 /nfs/dbraw/zinc/17/25/05/347172505.db2.gz JRTPYLFZYKPLCS-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CCC2)C1 ZINC000582071163 347172507 /nfs/dbraw/zinc/17/25/07/347172507.db2.gz JRTPYLFZYKPLCS-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO COC[C@H]1CCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628294059 347178607 /nfs/dbraw/zinc/17/86/07/347178607.db2.gz DRLIHWJUPLXRCD-SNVBAGLBSA-N 1 2 209.293 1.247 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628294059 347178608 /nfs/dbraw/zinc/17/86/08/347178608.db2.gz DRLIHWJUPLXRCD-SNVBAGLBSA-N 1 2 209.293 1.247 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1nc(C)c(C)[nH]1 ZINC000628294059 347178613 /nfs/dbraw/zinc/17/86/13/347178613.db2.gz DRLIHWJUPLXRCD-SNVBAGLBSA-N 1 2 209.293 1.247 20 0 BDADLO COC[C@@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000187244257 347252354 /nfs/dbraw/zinc/25/23/54/347252354.db2.gz FKRGGNAYZUINHX-QMMMGPOBSA-N 1 2 207.264 1.998 20 0 BDADLO COC[C@@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000187244257 347252358 /nfs/dbraw/zinc/25/23/58/347252358.db2.gz FKRGGNAYZUINHX-QMMMGPOBSA-N 1 2 207.264 1.998 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)C(=O)OC ZINC000388211712 347238698 /nfs/dbraw/zinc/23/86/98/347238698.db2.gz GJLZXOCTKPJQPR-INTQDDNPSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ccn(C)n2)on1 ZINC000631158455 347241338 /nfs/dbraw/zinc/24/13/38/347241338.db2.gz VORPSFWUBZQRJX-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1c[nH]c(C[N@@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000628298749 347335761 /nfs/dbraw/zinc/33/57/61/347335761.db2.gz QCRIILVBIZMNBM-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO Cc1c[nH]c(C[N@H+](C)[C@@H](CO)c2ccccc2)n1 ZINC000628298749 347335762 /nfs/dbraw/zinc/33/57/62/347335762.db2.gz QCRIILVBIZMNBM-ZDUSSCGKSA-N 1 2 245.326 1.884 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2cnns2)cn1 ZINC000400210517 347337917 /nfs/dbraw/zinc/33/79/17/347337917.db2.gz BMWSBSJQNHETQY-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO Cc1ccccc1N(C)C(=O)Cc1c[nH+]cn1C ZINC000623047760 347304590 /nfs/dbraw/zinc/30/45/90/347304590.db2.gz SITXWXDBMZGZLX-UHFFFAOYSA-N 1 2 243.310 1.934 20 0 BDADLO Cc1cc(NC(=O)C23CC(C2)C3)c(C)c[nH+]1 ZINC000626225602 347378178 /nfs/dbraw/zinc/37/81/78/347378178.db2.gz CQVHVZUUWVMFKX-UHFFFAOYSA-N 1 2 216.284 1.859 20 0 BDADLO CCO[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000626225793 347383542 /nfs/dbraw/zinc/38/35/42/347383542.db2.gz LIZJLDVFRIVOOJ-CYBMUJFWSA-N 1 2 248.326 1.874 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000616920988 347450124 /nfs/dbraw/zinc/45/01/24/347450124.db2.gz AUJQVXZISKSOLC-AXFHLTTASA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000616920988 347450128 /nfs/dbraw/zinc/45/01/28/347450128.db2.gz AUJQVXZISKSOLC-AXFHLTTASA-N 1 2 233.315 1.804 20 0 BDADLO Cc1cnccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921797 347451657 /nfs/dbraw/zinc/45/16/57/347451657.db2.gz CRIWZBPVIROOOK-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO Cc1cnccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921797 347451659 /nfs/dbraw/zinc/45/16/59/347451659.db2.gz CRIWZBPVIROOOK-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO CCCc1[nH]ccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921566 347451742 /nfs/dbraw/zinc/45/17/42/347451742.db2.gz WCQHTKGNLZQIQQ-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO Cc1cccc2[nH+]c(CNc3ccn(C)n3)cn21 ZINC000123705216 179230533 /nfs/dbraw/zinc/23/05/33/179230533.db2.gz MBUZLEDPKFLASN-UHFFFAOYSA-N 1 2 241.298 1.988 20 0 BDADLO CCCc1[nH]ccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921566 347451743 /nfs/dbraw/zinc/45/17/43/347451743.db2.gz WCQHTKGNLZQIQQ-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO CCc1cncc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616927483 347453353 /nfs/dbraw/zinc/45/33/53/347453353.db2.gz JKPDLBZHAJOERH-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CCc1cncc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616927483 347453355 /nfs/dbraw/zinc/45/33/55/347453355.db2.gz JKPDLBZHAJOERH-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO CCc1noc(C)c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922770 347453800 /nfs/dbraw/zinc/45/38/00/347453800.db2.gz IPZWHWPMYKLRLP-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO CCc1noc(C)c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922770 347453803 /nfs/dbraw/zinc/45/38/03/347453803.db2.gz IPZWHWPMYKLRLP-UHFFFAOYSA-N 1 2 248.286 1.541 20 0 BDADLO Cc1cccc2[nH+]cc(CN=c3cco[nH]3)n21 ZINC000361633568 179231317 /nfs/dbraw/zinc/23/13/17/179231317.db2.gz YSBHREIONAQFFQ-UHFFFAOYSA-N 1 2 228.255 1.665 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000616923598 347454878 /nfs/dbraw/zinc/45/48/78/347454878.db2.gz NHWJBCGYHWGERF-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000616923598 347454880 /nfs/dbraw/zinc/45/48/80/347454880.db2.gz NHWJBCGYHWGERF-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO Cc1[nH]nc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1C ZINC000616925815 347457154 /nfs/dbraw/zinc/45/71/54/347457154.db2.gz QXZMDQHWNNQNDH-UHFFFAOYSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1[nH]nc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1C ZINC000616925815 347457156 /nfs/dbraw/zinc/45/71/56/347457156.db2.gz QXZMDQHWNNQNDH-UHFFFAOYSA-N 1 2 233.275 1.022 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)O1 ZINC000616928526 347494627 /nfs/dbraw/zinc/49/46/27/347494627.db2.gz DBOROYPNRFFDFD-KKZNHRDASA-N 1 2 237.303 1.182 20 0 BDADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)O1 ZINC000616928526 347494628 /nfs/dbraw/zinc/49/46/28/347494628.db2.gz DBOROYPNRFFDFD-KKZNHRDASA-N 1 2 237.303 1.182 20 0 BDADLO Cc1c(C(=O)N(C)Cc2c[nH+]c[nH]2)ccn1C ZINC000616928576 347495024 /nfs/dbraw/zinc/49/50/24/347495024.db2.gz FLHJCNHNRFHFNY-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO Cc1c(C(=O)N(C)Cc2c[nH]c[nH+]2)ccn1C ZINC000616928576 347495028 /nfs/dbraw/zinc/49/50/28/347495028.db2.gz FLHJCNHNRFHFNY-UHFFFAOYSA-N 1 2 232.287 1.329 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ncoc1C1CC1 ZINC000616928478 347495089 /nfs/dbraw/zinc/49/50/89/347495089.db2.gz AZMIIAHSUKBCSL-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ncoc1C1CC1 ZINC000616928478 347495093 /nfs/dbraw/zinc/49/50/93/347495093.db2.gz AZMIIAHSUKBCSL-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616925977 347458777 /nfs/dbraw/zinc/45/87/77/347458777.db2.gz YFNBQUFDZFCHBI-MRVPVSSYSA-N 1 2 207.277 1.414 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616925977 347458779 /nfs/dbraw/zinc/45/87/79/347458779.db2.gz YFNBQUFDZFCHBI-MRVPVSSYSA-N 1 2 207.277 1.414 20 0 BDADLO COC[C@H](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927052 347459564 /nfs/dbraw/zinc/45/95/64/347459564.db2.gz ZWEXECZJRJKIPL-SECBINFHSA-N 1 2 225.292 1.041 20 0 BDADLO COC[C@H](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927052 347459565 /nfs/dbraw/zinc/45/95/65/347459565.db2.gz ZWEXECZJRJKIPL-SECBINFHSA-N 1 2 225.292 1.041 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)nc(C)n1 ZINC000616927672 347460465 /nfs/dbraw/zinc/46/04/65/347460465.db2.gz NTBYGIHYCXPURW-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)nc(C)n1 ZINC000616927672 347460467 /nfs/dbraw/zinc/46/04/67/347460467.db2.gz NTBYGIHYCXPURW-UHFFFAOYSA-N 1 2 245.286 1.089 20 0 BDADLO CCn1c[nH+]cc1CNc1cccc(OC)n1 ZINC000577230930 365892814 /nfs/dbraw/zinc/89/28/14/365892814.db2.gz ARERPQDUTZKXJA-UHFFFAOYSA-N 1 2 232.287 1.341 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C(C)C)C1CC1 ZINC000636600962 347540258 /nfs/dbraw/zinc/54/02/58/347540258.db2.gz QOSQMVDKDZXDIH-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C(C)C)C1CC1 ZINC000636600962 347540259 /nfs/dbraw/zinc/54/02/59/347540259.db2.gz QOSQMVDKDZXDIH-GFCCVEGCSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H](CNC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000590862082 347574341 /nfs/dbraw/zinc/57/43/41/347574341.db2.gz NSRQQQUMTQFGEF-VIFPVBQESA-N 1 2 236.319 1.265 20 0 BDADLO Cc1ccccc1CC[N@@H+](C)Cc1ncnn1C ZINC000295785436 179263938 /nfs/dbraw/zinc/26/39/38/179263938.db2.gz UPWTZSUCKBDZTE-UHFFFAOYSA-N 1 2 244.342 1.798 20 0 BDADLO Cc1ccccc1CC[N@H+](C)Cc1ncnn1C ZINC000295785436 179263940 /nfs/dbraw/zinc/26/39/40/179263940.db2.gz UPWTZSUCKBDZTE-UHFFFAOYSA-N 1 2 244.342 1.798 20 0 BDADLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C(C)C ZINC000636602416 347548202 /nfs/dbraw/zinc/54/82/02/347548202.db2.gz NRHPTIDMXZUMNO-RYUDHWBXSA-N 1 2 242.363 1.210 20 0 BDADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C(C)C ZINC000636602416 347548205 /nfs/dbraw/zinc/54/82/05/347548205.db2.gz NRHPTIDMXZUMNO-RYUDHWBXSA-N 1 2 242.363 1.210 20 0 BDADLO C[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636644778 347647422 /nfs/dbraw/zinc/64/74/22/347647422.db2.gz YBXRWPVHLHMDLN-GXSJLCMTSA-N 1 2 248.330 1.153 20 0 BDADLO C[C@H](CC(=O)NCCn1cc[nH+]c1)n1cccc1 ZINC000591432802 347656097 /nfs/dbraw/zinc/65/60/97/347656097.db2.gz UPTMRKLFWPFZFC-GFCCVEGCSA-N 1 2 246.314 1.452 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000336701653 179269750 /nfs/dbraw/zinc/26/97/50/179269750.db2.gz RQKCBJJUOBVAKY-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1cn(C)nn1 ZINC000336701653 179269757 /nfs/dbraw/zinc/26/97/57/179269757.db2.gz RQKCBJJUOBVAKY-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO CCn1ncc(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC000618438244 347684751 /nfs/dbraw/zinc/68/47/51/347684751.db2.gz LAWDQBXZTVVODH-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO CCn1ncc(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC000618438244 347684752 /nfs/dbraw/zinc/68/47/52/347684752.db2.gz LAWDQBXZTVVODH-UHFFFAOYSA-N 1 2 247.302 1.506 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](OC)C1CC1)C(C)(C)C ZINC000591845344 347706485 /nfs/dbraw/zinc/70/64/85/347706485.db2.gz NYGLOSFKWUVGJM-MNOVXSKESA-N 1 2 243.347 1.589 20 0 BDADLO CC(=O)CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591898428 347713931 /nfs/dbraw/zinc/71/39/31/347713931.db2.gz LPGBDBARYXBLGA-LBPRGKRZSA-N 1 2 249.314 1.416 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)C(C)C ZINC000592368463 347770504 /nfs/dbraw/zinc/77/05/04/347770504.db2.gz OYTRMSXJMNLDTK-SRVKXCTJSA-N 1 2 243.347 1.730 20 0 BDADLO CC[C@H](NCc1[nH]cc[nH+]1)C(=O)OC(C)(C)C ZINC000592377559 347771659 /nfs/dbraw/zinc/77/16/59/347771659.db2.gz VXQNSMVLAZNFGY-VIFPVBQESA-N 1 2 239.319 1.620 20 0 BDADLO COCC[N@H+](CC(=O)OC)CC1=CCCC1 ZINC000592070898 347727682 /nfs/dbraw/zinc/72/76/82/347727682.db2.gz UJZBQOUGBBMBAR-UHFFFAOYSA-N 1 2 227.304 1.218 20 0 BDADLO COCC[N@@H+](CC(=O)OC)CC1=CCCC1 ZINC000592070898 347727683 /nfs/dbraw/zinc/72/76/83/347727683.db2.gz UJZBQOUGBBMBAR-UHFFFAOYSA-N 1 2 227.304 1.218 20 0 BDADLO CCCn1ncnc1C[N@H+](CC)CCSC ZINC000592201277 347752760 /nfs/dbraw/zinc/75/27/60/347752760.db2.gz FYKIMWJNYUNTCB-UHFFFAOYSA-N 1 2 242.392 1.873 20 0 BDADLO CCCn1ncnc1C[N@@H+](CC)CCSC ZINC000592201277 347752762 /nfs/dbraw/zinc/75/27/62/347752762.db2.gz FYKIMWJNYUNTCB-UHFFFAOYSA-N 1 2 242.392 1.873 20 0 BDADLO CCN(CCSC)C(=O)Cc1[nH]c[nH+]c1C ZINC000592918461 347833386 /nfs/dbraw/zinc/83/33/86/347833386.db2.gz QXZSVWQLSIZGKQ-UHFFFAOYSA-N 1 2 241.360 1.472 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593692717 347928538 /nfs/dbraw/zinc/92/85/38/347928538.db2.gz DOWHVVMFOJOJTM-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC000593692717 347928542 /nfs/dbraw/zinc/92/85/42/347928542.db2.gz DOWHVVMFOJOJTM-MKBNYLNASA-N 1 2 236.340 1.095 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000577370387 365936652 /nfs/dbraw/zinc/93/66/52/365936652.db2.gz YVUSUNFCCIFMRZ-WVSHTKLVSA-N 1 2 219.288 1.101 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(F)F ZINC000577412285 365949567 /nfs/dbraw/zinc/94/95/67/365949567.db2.gz NEJMRZCVSKAAFE-IONNQARKSA-N 1 2 245.273 1.748 20 0 BDADLO CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(F)F ZINC000577412285 365949572 /nfs/dbraw/zinc/94/95/72/365949572.db2.gz NEJMRZCVSKAAFE-IONNQARKSA-N 1 2 245.273 1.748 20 0 BDADLO CC1(C)SC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000577432319 365953081 /nfs/dbraw/zinc/95/30/81/365953081.db2.gz VOBFGWIRRVSWPC-QMMMGPOBSA-N 1 2 239.344 1.353 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OC)[C@@H]1CCCCO1 ZINC000594044925 347987767 /nfs/dbraw/zinc/98/77/67/347987767.db2.gz VDRVVOOHHOOYJK-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO COc1c(C)[nH+]cnc1NCCCCSC ZINC000594552053 348068359 /nfs/dbraw/zinc/06/83/59/348068359.db2.gz IPGRWWYGTAEWHT-UHFFFAOYSA-N 1 2 241.360 1.771 20 0 BDADLO C[C@H](C[NH2+]Cc1ccn[nH]1)C(=O)OC(C)(C)C ZINC000594517798 348069252 /nfs/dbraw/zinc/06/92/52/348069252.db2.gz DBZAXOHJUYEXCC-SECBINFHSA-N 1 2 239.319 1.477 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)C(=O)OC ZINC000594723471 348107854 /nfs/dbraw/zinc/10/78/54/348107854.db2.gz BMUDECFUBJIAAE-MXWKQRLJSA-N 1 2 229.320 1.485 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000594725432 348108151 /nfs/dbraw/zinc/10/81/51/348108151.db2.gz KQGDNTZNQKRDGH-PSASIEDQSA-N 1 2 233.258 1.573 20 0 BDADLO CC[C@H]([NH2+]CCc1ccoc1)C(=O)OC ZINC000594731346 348113476 /nfs/dbraw/zinc/11/34/76/348113476.db2.gz RLMWIRCHILVJOD-JTQLQIEISA-N 1 2 211.261 1.363 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000594615531 348083900 /nfs/dbraw/zinc/08/39/00/348083900.db2.gz WFDWGXDUKABADC-CIUDSAMLSA-N 1 2 217.334 1.422 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000616207664 348138973 /nfs/dbraw/zinc/13/89/73/348138973.db2.gz JZMXZBJLOWVWDT-CYZMBNFOSA-N 1 2 247.342 1.515 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)CO1 ZINC000594920139 348154534 /nfs/dbraw/zinc/15/45/34/348154534.db2.gz DENGHZZYWJWKKL-HBNTYKKESA-N 1 2 243.347 1.874 20 0 BDADLO CSC[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594923692 348156434 /nfs/dbraw/zinc/15/64/34/348156434.db2.gz LOJPQKJWMJMWOP-MRVPVSSYSA-N 1 2 243.380 1.269 20 0 BDADLO COC[C@](C)([NH2+]CCC1CCC1)C(=O)OC ZINC000595406039 348239726 /nfs/dbraw/zinc/23/97/26/348239726.db2.gz GPVPBUKVOGKVSX-LBPRGKRZSA-N 1 2 229.320 1.344 20 0 BDADLO CC[C@](C)([NH2+]C[C@H](OC)C1CCC1)C(=O)OC ZINC000595408047 348240789 /nfs/dbraw/zinc/24/07/89/348240789.db2.gz QBQFJRIIFCVOFV-AAEUAGOBSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cccnc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282313755 179374236 /nfs/dbraw/zinc/37/42/36/179374236.db2.gz TZIHVEHOJOHSDQ-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cccnc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282313755 179374238 /nfs/dbraw/zinc/37/42/38/179374238.db2.gz TZIHVEHOJOHSDQ-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CC1CCC(C)CC1 ZINC000595531131 348273051 /nfs/dbraw/zinc/27/30/51/348273051.db2.gz COUKNVGBSQYKOS-XIVSLSHWSA-N 1 2 243.347 1.326 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CCC(C)(C)C1CC1 ZINC000595534313 348276410 /nfs/dbraw/zinc/27/64/10/348276410.db2.gz SOORBNSGFNHMJJ-ZDUSSCGKSA-N 1 2 243.347 1.326 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616308 348288913 /nfs/dbraw/zinc/28/89/13/348288913.db2.gz ANYWFTBXEJKFJJ-MFKMUULPSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616308 348288917 /nfs/dbraw/zinc/28/89/17/348288917.db2.gz ANYWFTBXEJKFJJ-MFKMUULPSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616309 348288965 /nfs/dbraw/zinc/28/89/65/348288965.db2.gz ANYWFTBXEJKFJJ-ZWNOBZJWSA-N 1 2 241.331 1.439 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616309 348288966 /nfs/dbraw/zinc/28/89/66/348288966.db2.gz ANYWFTBXEJKFJJ-ZWNOBZJWSA-N 1 2 241.331 1.439 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616793 348289905 /nfs/dbraw/zinc/28/99/05/348289905.db2.gz CRTGHBYFQUUYTF-BXKDBHETSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616793 348289908 /nfs/dbraw/zinc/28/99/08/348289908.db2.gz CRTGHBYFQUUYTF-BXKDBHETSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)c1ccoc1CN(C)Cc1c[nH+]c[nH]1 ZINC000595595416 348294154 /nfs/dbraw/zinc/29/41/54/348294154.db2.gz HIHMXZQWBKUNQB-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)c1ccoc1CN(C)Cc1c[nH]c[nH+]1 ZINC000595595416 348294156 /nfs/dbraw/zinc/29/41/56/348294156.db2.gz HIHMXZQWBKUNQB-UHFFFAOYSA-N 1 2 249.270 1.421 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCOC1CCC1 ZINC000595680724 348312101 /nfs/dbraw/zinc/31/21/01/348312101.db2.gz SJXFLSNGZKGDQZ-UHFFFAOYSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCOC1CCC1 ZINC000595680724 348312103 /nfs/dbraw/zinc/31/21/03/348312103.db2.gz SJXFLSNGZKGDQZ-UHFFFAOYSA-N 1 2 239.315 1.193 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709209 348320907 /nfs/dbraw/zinc/32/09/07/348320907.db2.gz XWWHWTDXGGGDTJ-GXFFZTMASA-N 1 2 233.311 1.868 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC=C(C)C ZINC000595770387 348335768 /nfs/dbraw/zinc/33/57/68/348335768.db2.gz RTIHKZNLBBKMJY-NSHDSACASA-N 1 2 217.284 1.834 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+]CCC1(O)CCC1 ZINC000595771805 348336563 /nfs/dbraw/zinc/33/65/63/348336563.db2.gz GBNJGSCWSZKSHX-LLVKDONJSA-N 1 2 247.310 1.172 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000595773240 348337265 /nfs/dbraw/zinc/33/72/65/348337265.db2.gz DIMVYZSXDIRVQX-UMNHJUIQSA-N 1 2 247.310 1.435 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CC[C@@H]1CCCO1 ZINC000595775072 348338205 /nfs/dbraw/zinc/33/82/05/348338205.db2.gz LNTJCIDPGRQHQL-JQWIXIFHSA-N 1 2 247.310 1.436 20 0 BDADLO CC[C@H]([NH2+]CCCc1ccco1)C(=O)OC ZINC000596045307 348428806 /nfs/dbraw/zinc/42/88/06/348428806.db2.gz BOIVGUBCTSVVBN-NSHDSACASA-N 1 2 225.288 1.753 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCC=C(C)C)c1 ZINC000596207667 348466304 /nfs/dbraw/zinc/46/63/04/348466304.db2.gz NHFNWKLUFNZAAY-UHFFFAOYSA-N 1 2 248.326 1.987 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC000596229380 348471453 /nfs/dbraw/zinc/47/14/53/348471453.db2.gz ADCIVDIYETUGAP-NEPJUHHUSA-N 1 2 246.310 1.786 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1COC(C)(C)C1 ZINC000396577994 348511511 /nfs/dbraw/zinc/51/15/11/348511511.db2.gz GMOORQIZWDCAQF-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1COC(C)(C)C1 ZINC000396577994 348511514 /nfs/dbraw/zinc/51/15/14/348511514.db2.gz GMOORQIZWDCAQF-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)[C@H]1C[C@@H](N(C)c2cc(C)[nH+]cn2)C1 ZINC000596533770 348570331 /nfs/dbraw/zinc/57/03/31/348570331.db2.gz QBKCKXBKIUFFNN-AOOOYVTPSA-N 1 2 235.287 1.173 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000596509917 348572529 /nfs/dbraw/zinc/57/25/29/348572529.db2.gz KFPDIBDBRAPGHK-VXGBXAGGSA-N 1 2 246.310 1.643 20 0 BDADLO c1cn([C@@H]2CCCN(c3ncccn3)C2)c[nH+]1 ZINC000597182794 348682239 /nfs/dbraw/zinc/68/22/39/348682239.db2.gz BQPNSRYWAYPXIY-LLVKDONJSA-N 1 2 229.287 1.515 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccoc1 ZINC000618474371 348825084 /nfs/dbraw/zinc/82/50/84/348825084.db2.gz HZAIERZTTRILTF-UHFFFAOYSA-N 1 2 233.271 1.294 20 0 BDADLO CSCCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597866563 348831592 /nfs/dbraw/zinc/83/15/92/348831592.db2.gz YLVUUULGFDEKCX-UHFFFAOYSA-N 1 2 241.360 1.901 20 0 BDADLO CSCCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597866563 348831593 /nfs/dbraw/zinc/83/15/93/348831593.db2.gz YLVUUULGFDEKCX-UHFFFAOYSA-N 1 2 241.360 1.901 20 0 BDADLO CC(C)SCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863278 348836120 /nfs/dbraw/zinc/83/61/20/348836120.db2.gz MTMLXQMWKNQUOX-UHFFFAOYSA-N 1 2 227.333 1.510 20 0 BDADLO CC(C)SCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863278 348836124 /nfs/dbraw/zinc/83/61/24/348836124.db2.gz MTMLXQMWKNQUOX-UHFFFAOYSA-N 1 2 227.333 1.510 20 0 BDADLO c1snnc1C[NH2+]CCOCC1CCC1 ZINC000308850125 348855057 /nfs/dbraw/zinc/85/50/57/348855057.db2.gz QWNGWDWOBUOIIG-UHFFFAOYSA-N 1 2 227.333 1.444 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000190173733 179706684 /nfs/dbraw/zinc/70/66/84/179706684.db2.gz MFIOJNUVAXDWBJ-CABZTGNLSA-N 1 2 249.314 1.625 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)[C@H]1CC12CC2 ZINC000421769203 192380932 /nfs/dbraw/zinc/38/09/32/192380932.db2.gz HCDAGJHRLUHYLO-LLVKDONJSA-N 1 2 245.326 1.800 20 0 BDADLO CCCc1[nH]ccc1C(=O)NCc1[nH+]ccn1C ZINC000421762685 192380257 /nfs/dbraw/zinc/38/02/57/192380257.db2.gz NSQPQRSLTBQPHH-UHFFFAOYSA-N 1 2 246.314 1.631 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000598673768 349019760 /nfs/dbraw/zinc/01/97/60/349019760.db2.gz KLRIFGSLFCVLCI-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1nccnc1C ZINC000598673768 349019762 /nfs/dbraw/zinc/01/97/62/349019762.db2.gz KLRIFGSLFCVLCI-GFCCVEGCSA-N 1 2 249.314 1.313 20 0 BDADLO CS[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598951205 349071735 /nfs/dbraw/zinc/07/17/35/349071735.db2.gz YOFPEAHDSTWHEY-IUCAKERBSA-N 1 2 239.344 1.066 20 0 BDADLO CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000055171134 349085411 /nfs/dbraw/zinc/08/54/11/349085411.db2.gz DHOCZNXIIXVELB-UHFFFAOYSA-N 1 2 232.287 1.148 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@@H](OCC)C1CC1 ZINC000599277150 349138823 /nfs/dbraw/zinc/13/88/23/349138823.db2.gz JWNJJZUCWIHFKK-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@@H](OCC)C1CC1 ZINC000599277150 349138825 /nfs/dbraw/zinc/13/88/25/349138825.db2.gz JWNJJZUCWIHFKK-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO COC[C@](C)([NH2+]CC1CC(C)(C)C1)C(=O)OC ZINC000599341279 349152641 /nfs/dbraw/zinc/15/26/41/349152641.db2.gz IESCSNZTGKHPTF-ZDUSSCGKSA-N 1 2 243.347 1.590 20 0 BDADLO CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)OC ZINC000599625623 349230863 /nfs/dbraw/zinc/23/08/63/349230863.db2.gz NUSSMMXDQSOUKM-UVOCVTCTSA-N 1 2 229.320 1.340 20 0 BDADLO O=C(CSC1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000599951144 349273970 /nfs/dbraw/zinc/27/39/70/349273970.db2.gz ABZYKKIKUXJMQX-UHFFFAOYSA-N 1 2 237.328 1.190 20 0 BDADLO O=C(CSC1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000599951144 349273971 /nfs/dbraw/zinc/27/39/71/349273971.db2.gz ABZYKKIKUXJMQX-UHFFFAOYSA-N 1 2 237.328 1.190 20 0 BDADLO Cc1ccoc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603813727 350037293 /nfs/dbraw/zinc/03/72/93/350037293.db2.gz HARXXDGOUKNXOJ-UHFFFAOYSA-N 1 2 231.255 1.482 20 0 BDADLO O=C(C[C@H]1C=CCC1)N1CC(n2cc[nH+]c2)C1 ZINC000603813942 350038281 /nfs/dbraw/zinc/03/82/81/350038281.db2.gz ZVKFSOAJSHNPDB-NSHDSACASA-N 1 2 231.299 1.623 20 0 BDADLO CC(C)N(C(=O)Cn1cc[nH+]c1)C(C)C ZINC000073172195 191005454 /nfs/dbraw/zinc/00/54/54/191005454.db2.gz UEQQXMHTCSAQCJ-UHFFFAOYSA-N 1 2 209.293 1.529 20 0 BDADLO O=C(Cn1cccn1)Nc1ccc2[nH+]ccn2c1 ZINC000603884273 350048394 /nfs/dbraw/zinc/04/83/94/350048394.db2.gz FFWIJLLDOMXARB-UHFFFAOYSA-N 1 2 241.254 1.170 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCOC1 ZINC000603886020 350048422 /nfs/dbraw/zinc/04/84/22/350048422.db2.gz VOFCENXWFFCRCG-JTQLQIEISA-N 1 2 245.282 1.699 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCOC[C@H](C)C2)[nH+]1 ZINC000338253578 180002675 /nfs/dbraw/zinc/00/26/75/180002675.db2.gz DIUVKQDXUHSDOH-SECBINFHSA-N 1 2 246.314 1.739 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C(N)=O)C(C)C)[nH+]1 ZINC000339222168 180023602 /nfs/dbraw/zinc/02/36/02/180023602.db2.gz VEHIDSPSZQVFDB-VIFPVBQESA-N 1 2 247.302 1.188 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CCSC2)[nH+]1 ZINC000309590945 180024030 /nfs/dbraw/zinc/02/40/30/180024030.db2.gz UTNTWKDLBWJTTM-MRVPVSSYSA-N 1 2 239.348 1.163 20 0 BDADLO Cc1nc(N[C@@H]2CCSC2)nc(N(C)C)[nH+]1 ZINC000309590945 180024033 /nfs/dbraw/zinc/02/40/33/180024033.db2.gz UTNTWKDLBWJTTM-MRVPVSSYSA-N 1 2 239.348 1.163 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCn2cccn2)[nH]1 ZINC000331352807 180032370 /nfs/dbraw/zinc/03/23/70/180032370.db2.gz OTHUIZQRQQTQIT-SECBINFHSA-N 1 2 234.307 1.003 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCn2cccn2)[nH]1 ZINC000331352807 180032372 /nfs/dbraw/zinc/03/23/72/180032372.db2.gz OTHUIZQRQQTQIT-SECBINFHSA-N 1 2 234.307 1.003 20 0 BDADLO CCOC1C[NH+](Cc2cnc3ccccc3n2)C1 ZINC000628306315 350116944 /nfs/dbraw/zinc/11/69/44/350116944.db2.gz VOPOOTLNVXSFQM-UHFFFAOYSA-N 1 2 243.310 1.851 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](O)CC2)no1 ZINC000331700204 180047498 /nfs/dbraw/zinc/04/74/98/180047498.db2.gz ZGOGPRWAWBXSSJ-WPRPVWTQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](O)CC2)no1 ZINC000331700204 180047500 /nfs/dbraw/zinc/04/75/00/180047500.db2.gz ZGOGPRWAWBXSSJ-WPRPVWTQSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CCCCCO)no1 ZINC000352358862 180048022 /nfs/dbraw/zinc/04/80/22/180048022.db2.gz YYLVXZZKIRITNM-VIFPVBQESA-N 1 2 227.308 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CCCCCO)no1 ZINC000352358862 180048025 /nfs/dbraw/zinc/04/80/25/180048025.db2.gz YYLVXZZKIRITNM-VIFPVBQESA-N 1 2 227.308 1.533 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CC3CCC3)CCO2)no1 ZINC000329711212 180057133 /nfs/dbraw/zinc/05/71/33/180057133.db2.gz OHZHGWHTRZUSKC-LLVKDONJSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CC3CCC3)CCO2)no1 ZINC000329711212 180057134 /nfs/dbraw/zinc/05/71/34/180057134.db2.gz OHZHGWHTRZUSKC-LLVKDONJSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CC[C@@H](O)C2)[nH+]1 ZINC000352614429 180059698 /nfs/dbraw/zinc/05/96/98/180059698.db2.gz XONDHLZGRCMWSF-NXEZZACHSA-N 1 2 246.314 1.261 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000636982067 350123321 /nfs/dbraw/zinc/12/33/21/350123321.db2.gz VRUYCOMZEJRBOP-GXSJLCMTSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)c3c[nH]cn3)cc2[nH+]1 ZINC000338009500 180095367 /nfs/dbraw/zinc/09/53/67/180095367.db2.gz XDJSIGJQOVTIQV-UHFFFAOYSA-N 1 2 241.254 1.847 20 0 BDADLO Cc1nc(N2CC[C@](C)(O)C2)c2c([nH+]1)CCCC2 ZINC000272920685 180068373 /nfs/dbraw/zinc/06/83/73/180068373.db2.gz SWXNPEKAYKGBBN-AWEZNQCLSA-N 1 2 247.342 1.625 20 0 BDADLO Cc1nc(NCC[C@@H](C)O)c2c([nH+]1)CCCC2 ZINC000272952023 180070460 /nfs/dbraw/zinc/07/04/60/180070460.db2.gz YVANENOXBZLMFH-SECBINFHSA-N 1 2 235.331 1.847 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000093055551 191035523 /nfs/dbraw/zinc/03/55/23/191035523.db2.gz RJKFJZMWUCTKDC-NSHDSACASA-N 1 2 238.356 1.705 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000093055551 191035525 /nfs/dbraw/zinc/03/55/25/191035525.db2.gz RJKFJZMWUCTKDC-NSHDSACASA-N 1 2 238.356 1.705 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](C/C=C/Cl)C2 ZINC000267511854 180110875 /nfs/dbraw/zinc/11/08/75/180110875.db2.gz IUPIXYWDCKCRTD-NSCUHMNNSA-N 1 2 212.684 1.155 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](C/C=C/Cl)C2 ZINC000267511854 180110876 /nfs/dbraw/zinc/11/08/76/180110876.db2.gz IUPIXYWDCKCRTD-NSCUHMNNSA-N 1 2 212.684 1.155 20 0 BDADLO COCC[N@H+](CC(F)F)CC(C)(C)COC ZINC000426411122 191043213 /nfs/dbraw/zinc/04/32/13/191043213.db2.gz OWIHCHBGXOKAFW-UHFFFAOYSA-N 1 2 239.306 1.873 20 0 BDADLO COCC[N@@H+](CC(F)F)CC(C)(C)COC ZINC000426411122 191043216 /nfs/dbraw/zinc/04/32/16/191043216.db2.gz OWIHCHBGXOKAFW-UHFFFAOYSA-N 1 2 239.306 1.873 20 0 BDADLO Cc1nc(NCc2c[nH+]cn2C)sc1C ZINC000334273188 538062797 /nfs/dbraw/zinc/06/27/97/538062797.db2.gz YQZDHMJHVODLKM-UHFFFAOYSA-N 1 2 222.317 1.527 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cc[nH]c(=O)c2)c[nH+]1 ZINC000355202623 180132196 /nfs/dbraw/zinc/13/21/96/180132196.db2.gz PRFSBADIMRMYIE-ZETCQYMHSA-N 1 2 246.270 1.310 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)C2CCOCC2)c[nH+]1 ZINC000336377543 180134214 /nfs/dbraw/zinc/13/42/14/180134214.db2.gz SXEZWJWHYYOLKO-MRVPVSSYSA-N 1 2 237.303 1.263 20 0 BDADLO Cc1ncc(CN(C)Cc2[nH+]ccn2C)s1 ZINC000336696846 180141297 /nfs/dbraw/zinc/14/12/97/180141297.db2.gz HJIDYETWKLBDQL-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000336079776 180118720 /nfs/dbraw/zinc/11/87/20/180118720.db2.gz IWLOUHIWHBBUOM-GFCCVEGCSA-N 1 2 241.294 1.674 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC=CCC1 ZINC000336321073 180119282 /nfs/dbraw/zinc/11/92/82/180119282.db2.gz MEWPQRFWXLQWRM-JTQLQIEISA-N 1 2 219.288 1.691 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1C[C@H]1C ZINC000354925291 180119971 /nfs/dbraw/zinc/11/99/71/180119971.db2.gz SXITUSHVJBMLNP-APPZFPTMSA-N 1 2 207.277 1.380 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cocn2)s1 ZINC000308750154 180154988 /nfs/dbraw/zinc/15/49/88/180154988.db2.gz UDHPHZVAUNBKKH-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO Cc1cc(C)nc([S@@](=O)Cc2c[nH+]cn2C)c1 ZINC000618532912 350194513 /nfs/dbraw/zinc/19/45/13/350194513.db2.gz FECVRSBSIHOKTP-KRWDZBQOSA-N 1 2 249.339 1.740 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000336222728 180145583 /nfs/dbraw/zinc/14/55/83/180145583.db2.gz FVPWFAORUNZAIY-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000336222728 180145585 /nfs/dbraw/zinc/14/55/85/180145585.db2.gz FVPWFAORUNZAIY-QMMMGPOBSA-N 1 2 200.282 1.995 20 0 BDADLO Cc1ncc(C[N@@H+]2CCc3ncsc3C2)cn1 ZINC000352412338 180146758 /nfs/dbraw/zinc/14/67/58/180146758.db2.gz DXXKYGQAUDLYEL-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO Cc1ncc(C[N@H+]2CCc3ncsc3C2)cn1 ZINC000352412338 180146759 /nfs/dbraw/zinc/14/67/59/180146759.db2.gz DXXKYGQAUDLYEL-UHFFFAOYSA-N 1 2 246.339 1.800 20 0 BDADLO CC1CC[NH+](Cc2nnnn2C(C)(C)C)CC1 ZINC000000414364 350187307 /nfs/dbraw/zinc/18/73/07/350187307.db2.gz SZCLEXMSAASRJT-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO Cc1cc(NC[C@](C)(O)C2CC2)nc(C2CC2)[nH+]1 ZINC000604756472 350187800 /nfs/dbraw/zinc/18/78/00/350187800.db2.gz HOPLTYVGDWZWNP-AWEZNQCLSA-N 1 2 247.342 1.657 20 0 BDADLO Cc1nc(NCCNc2ccn(C)n2)cc[nH+]1 ZINC000280663572 180198056 /nfs/dbraw/zinc/19/80/56/180198056.db2.gz BTGVMNLHJJRAQK-UHFFFAOYSA-N 1 2 232.291 1.043 20 0 BDADLO Cc1nc(NCCCO[C@@H]2CCOC2)cc[nH+]1 ZINC000128346241 180198178 /nfs/dbraw/zinc/19/81/78/180198178.db2.gz RWOWWQGCJUZZEL-LLVKDONJSA-N 1 2 237.303 1.393 20 0 BDADLO Cc1nc(NC[C@H](O)CC(C)(C)C)cc[nH+]1 ZINC000078266998 180200425 /nfs/dbraw/zinc/20/04/25/180200425.db2.gz QYUQUDZVLRMHAK-SNVBAGLBSA-N 1 2 223.320 1.994 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@H](O)C2)cc[nH+]1 ZINC000235972438 180200543 /nfs/dbraw/zinc/20/05/43/180200543.db2.gz LVMHQRYAULBBAJ-ZJUUUORDSA-N 1 2 207.277 1.358 20 0 BDADLO Cc1nc(NC[C@@H]2CCCOC2)cc[nH+]1 ZINC000054936012 180201241 /nfs/dbraw/zinc/20/12/41/180201241.db2.gz AZIXZVLRYZPCSP-JTQLQIEISA-N 1 2 207.277 1.624 20 0 BDADLO Cc1nc(NC[C@@H](O)CC(C)(C)C)cc[nH+]1 ZINC000078266999 180201658 /nfs/dbraw/zinc/20/16/58/180201658.db2.gz QYUQUDZVLRMHAK-JTQLQIEISA-N 1 2 223.320 1.994 20 0 BDADLO Cc1nc(N[C@@H](C)CC(C)(C)O)cc[nH+]1 ZINC000294872812 180204113 /nfs/dbraw/zinc/20/41/13/180204113.db2.gz BFSDPKHIRRZZIN-QMMMGPOBSA-N 1 2 209.293 1.746 20 0 BDADLO Cc1nc(N[C@H]2CCC(=O)N[C@H]2C2CC2)cc[nH+]1 ZINC000376487403 180204579 /nfs/dbraw/zinc/20/45/79/180204579.db2.gz WCRXQYTUQWSVAT-GWCFXTLKSA-N 1 2 246.314 1.254 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000054936523 180204783 /nfs/dbraw/zinc/20/47/83/180204783.db2.gz OTUKWWUHINIJEZ-UWVGGRQHSA-N 1 2 207.277 1.500 20 0 BDADLO Cc1nc(N[C@H](C)c2nnc3n2CCC3)cc[nH+]1 ZINC000272206369 180206038 /nfs/dbraw/zinc/20/60/38/180206038.db2.gz HEQMSAICDRWCQR-MRVPVSSYSA-N 1 2 244.302 1.496 20 0 BDADLO Cc1nc(N[C@H]2CCN(C(C)C)C2=O)cc[nH+]1 ZINC000266187046 180208056 /nfs/dbraw/zinc/20/80/56/180208056.db2.gz BDKHHOWENRWGIO-JTQLQIEISA-N 1 2 234.303 1.206 20 0 BDADLO Cc1nc(NC[C@]2(C)CCO[C@@H]2C2CC2)cc[nH+]1 ZINC000368780537 180181842 /nfs/dbraw/zinc/18/18/42/180181842.db2.gz WFLCHPXSOAETJG-KGLIPLIRSA-N 1 2 247.342 1.824 20 0 BDADLO Cc1nc(NC[C@@H](C)C(F)(F)F)cc[nH+]1 ZINC000336754614 180182252 /nfs/dbraw/zinc/18/22/52/180182252.db2.gz IKHNJYBBJCZIPX-ZCFIWIBFSA-N 1 2 219.210 1.817 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)n1 ZINC000352814317 180184307 /nfs/dbraw/zinc/18/43/07/180184307.db2.gz HHTUJCVVBJMJAP-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H](C(C)C)C2)n1 ZINC000352814317 180184310 /nfs/dbraw/zinc/18/43/10/180184310.db2.gz HHTUJCVVBJMJAP-CYBMUJFWSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1nccc(C[N@H+](C)Cc2ccccn2)n1 ZINC000352878727 180184848 /nfs/dbraw/zinc/18/48/48/180184848.db2.gz TZHZVVXFYHXOPU-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccc(C[N@@H+](C)Cc2ccccn2)n1 ZINC000352878727 180184849 /nfs/dbraw/zinc/18/48/49/180184849.db2.gz TZHZVVXFYHXOPU-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)n1 ZINC000353095316 180185494 /nfs/dbraw/zinc/18/54/94/180185494.db2.gz LNYFABKJVGJGCG-HBNTYKKESA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)n1 ZINC000353095316 180185495 /nfs/dbraw/zinc/18/54/95/180185495.db2.gz LNYFABKJVGJGCG-HBNTYKKESA-N 1 2 235.331 1.783 20 0 BDADLO Cc1nccnc1N(C)CCCn1cc[nH+]c1 ZINC000290800046 180275215 /nfs/dbraw/zinc/27/52/15/180275215.db2.gz PPCBXKBXRPIVJN-UHFFFAOYSA-N 1 2 231.303 1.508 20 0 BDADLO Cc1[nH+]ccn1CCSc1n[nH]c(C2CC2)n1 ZINC000270678552 180263118 /nfs/dbraw/zinc/26/31/18/180263118.db2.gz TYKXQXBBBLSSFO-UHFFFAOYSA-N 1 2 249.343 1.979 20 0 BDADLO CCc1cc(N[C@@H]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000606155624 350280243 /nfs/dbraw/zinc/28/02/43/350280243.db2.gz KVQHPSZVCSGAOW-MWLCHTKSSA-N 1 2 248.330 1.495 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000427848367 191095405 /nfs/dbraw/zinc/09/54/05/191095405.db2.gz FQRAXQSTPZAIAP-OUAUKWLOSA-N 1 2 243.347 1.874 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(=O)OC)C12CCC2 ZINC000083684681 350292645 /nfs/dbraw/zinc/29/26/45/350292645.db2.gz REXSFZGKCHLRBK-VHSXEESVSA-N 1 2 227.304 1.097 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cnccn1 ZINC000092591673 180312574 /nfs/dbraw/zinc/31/25/74/180312574.db2.gz HROFQKYVKLZTTJ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cnccn1 ZINC000092591673 180312577 /nfs/dbraw/zinc/31/25/77/180312577.db2.gz HROFQKYVKLZTTJ-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1ncsc1CC[N@@H+](C)Cc1nnc[nH]1 ZINC000177142965 180307646 /nfs/dbraw/zinc/30/76/46/180307646.db2.gz LLSWQGOJFDEOHR-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1ncsc1CC[N@H+](C)Cc1nnc[nH]1 ZINC000177142965 180307649 /nfs/dbraw/zinc/30/76/49/180307649.db2.gz LLSWQGOJFDEOHR-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000427848365 191096297 /nfs/dbraw/zinc/09/62/97/191096297.db2.gz FQRAXQSTPZAIAP-GMTAPVOTSA-N 1 2 243.347 1.874 20 0 BDADLO CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581281 350374396 /nfs/dbraw/zinc/37/43/96/350374396.db2.gz XPFUNDWTABJECX-UHFFFAOYSA-N 1 2 204.233 1.476 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000628306914 350435040 /nfs/dbraw/zinc/43/50/40/350435040.db2.gz DCGMJXSBBIATJG-UHFFFAOYSA-N 1 2 240.734 1.938 20 0 BDADLO Cc1nn(C)c(C)c1N[C@@H]1CCn2cc[nH+]c21 ZINC000293584545 180345351 /nfs/dbraw/zinc/34/53/51/180345351.db2.gz AYXAJSMERXDZSM-SNVBAGLBSA-N 1 2 231.303 1.790 20 0 BDADLO Cc1nn(C)c(NC(=O)CCc2[nH]cc[nH+]2)c1C ZINC000353290079 180356895 /nfs/dbraw/zinc/35/68/95/180356895.db2.gz QAXXWUCJLUDSKD-UHFFFAOYSA-N 1 2 247.302 1.331 20 0 BDADLO CC[N@H+](Cc1nnnn1C1CC1)C1CCC1 ZINC000336693512 350449403 /nfs/dbraw/zinc/44/94/03/350449403.db2.gz DDNBAUQARJOOCE-UHFFFAOYSA-N 1 2 221.308 1.382 20 0 BDADLO CC[N@@H+](Cc1nnnn1C1CC1)C1CCC1 ZINC000336693512 350449405 /nfs/dbraw/zinc/44/94/05/350449405.db2.gz DDNBAUQARJOOCE-UHFFFAOYSA-N 1 2 221.308 1.382 20 0 BDADLO CC[N@H+](Cc1nnc(C(C)C)o1)[C@H]1CCOC1 ZINC000336698643 350453153 /nfs/dbraw/zinc/45/31/53/350453153.db2.gz JDEHSSPRDXBZTA-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CC[N@@H+](Cc1nnc(C(C)C)o1)[C@H]1CCOC1 ZINC000336698643 350453155 /nfs/dbraw/zinc/45/31/55/350453155.db2.gz JDEHSSPRDXBZTA-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO O=C1CC[N@H+](Cc2ccc(Cl)nc2)CCN1 ZINC000059894436 350496626 /nfs/dbraw/zinc/49/66/26/350496626.db2.gz YKARQGMADNPMQC-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO O=C1CC[N@@H+](Cc2ccc(Cl)nc2)CCN1 ZINC000059894436 350496629 /nfs/dbraw/zinc/49/66/29/350496629.db2.gz YKARQGMADNPMQC-UHFFFAOYSA-N 1 2 239.706 1.057 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCC(F)(F)F ZINC000063099438 350571243 /nfs/dbraw/zinc/57/12/43/350571243.db2.gz ZQBSLTATQPOMNV-UHFFFAOYSA-N 1 2 207.199 1.760 20 0 BDADLO Cc1nnc(N(C)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000376384729 180422604 /nfs/dbraw/zinc/42/26/04/180422604.db2.gz QUXXFNNVADQYEM-UHFFFAOYSA-N 1 2 247.302 1.547 20 0 BDADLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC000131415793 490636629 /nfs/dbraw/zinc/63/66/29/490636629.db2.gz ILLPFEJUZNUUMP-VIFPVBQESA-N 1 2 207.277 1.188 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC1([S@](C)=O)CC1 ZINC000309537625 350709242 /nfs/dbraw/zinc/70/92/42/350709242.db2.gz FHHMZUWUVUIZJB-PWJLMRLQSA-N 1 2 241.360 1.280 20 0 BDADLO FC(F)(F)[C@H]1C[C@@H](Nc2c[nH]c[nH+]2)CCO1 ZINC000309528735 350701828 /nfs/dbraw/zinc/70/18/28/350701828.db2.gz CTEPPCDUPKFVBQ-NKWVEPMBSA-N 1 2 235.209 1.932 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2ncnn2C)CCS1 ZINC000177355623 365994963 /nfs/dbraw/zinc/99/49/63/365994963.db2.gz OOWFWRDREUSFKM-SNVBAGLBSA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2ncnn2C)CCS1 ZINC000177355623 365994970 /nfs/dbraw/zinc/99/49/70/365994970.db2.gz OOWFWRDREUSFKM-SNVBAGLBSA-N 1 2 240.376 1.389 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)[nH]1 ZINC000366474549 350774424 /nfs/dbraw/zinc/77/44/24/350774424.db2.gz WXHNSPWVEIWCKJ-NXEZZACHSA-N 1 2 236.319 1.120 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@H]3OCC[C@H]32)[nH]1 ZINC000366474549 350774427 /nfs/dbraw/zinc/77/44/27/350774427.db2.gz WXHNSPWVEIWCKJ-NXEZZACHSA-N 1 2 236.319 1.120 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCCc3c(cnn3C)C2)n1 ZINC000628310194 350788323 /nfs/dbraw/zinc/78/83/23/350788323.db2.gz RENCPMFZQZZOGR-UHFFFAOYSA-N 1 2 245.330 1.400 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCCc3c(cnn3C)C2)n1 ZINC000628310194 350788327 /nfs/dbraw/zinc/78/83/27/350788327.db2.gz RENCPMFZQZZOGR-UHFFFAOYSA-N 1 2 245.330 1.400 20 0 BDADLO CC[C@](C)([NH2+]CCc1cncs1)C(=O)OC ZINC000411441765 350865657 /nfs/dbraw/zinc/86/56/57/350865657.db2.gz QFRPDRNSDDBYHS-NSHDSACASA-N 1 2 242.344 1.617 20 0 BDADLO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)ccn1 ZINC000623563026 362987760 /nfs/dbraw/zinc/98/77/60/362987760.db2.gz LFQUAMYMIHVVJP-PWSUYJOCSA-N 1 2 243.314 1.777 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009910 350908385 /nfs/dbraw/zinc/90/83/85/350908385.db2.gz HRSAVSWDXNYJDO-SNVBAGLBSA-N 1 2 238.287 1.683 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009910 350908386 /nfs/dbraw/zinc/90/83/86/350908386.db2.gz HRSAVSWDXNYJDO-SNVBAGLBSA-N 1 2 238.287 1.683 20 0 BDADLO COc1ccc(C[NH2+]Cc2ccn(C)n2)c(F)c1 ZINC000229742485 350927632 /nfs/dbraw/zinc/92/76/32/350927632.db2.gz RSQHCVUUDUPQQZ-UHFFFAOYSA-N 1 2 249.289 1.858 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(F)c(F)c1 ZINC000052131500 350936574 /nfs/dbraw/zinc/93/65/74/350936574.db2.gz UJMXFOIAWLFQFT-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(F)c(F)c1 ZINC000052131500 350936576 /nfs/dbraw/zinc/93/65/76/350936576.db2.gz UJMXFOIAWLFQFT-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC=CCC1)CC2 ZINC000626388957 351026539 /nfs/dbraw/zinc/02/65/39/351026539.db2.gz SDVQXYDTWDSTEU-GFCCVEGCSA-N 1 2 245.326 1.542 20 0 BDADLO C=Cn1cc(C[N@H+]2CCN(C)C(=O)C2(C)C)cn1 ZINC000194000520 191129800 /nfs/dbraw/zinc/12/98/00/191129800.db2.gz BNELVKXVUXEXES-UHFFFAOYSA-N 1 2 248.330 1.036 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCN(C)C(=O)C2(C)C)cn1 ZINC000194000520 191129802 /nfs/dbraw/zinc/12/98/02/191129802.db2.gz BNELVKXVUXEXES-UHFFFAOYSA-N 1 2 248.330 1.036 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cnn[nH]1 ZINC000623578123 363009907 /nfs/dbraw/zinc/00/99/07/363009907.db2.gz VRIZRAOJHVXAJE-UHFFFAOYSA-N 1 2 234.307 1.115 20 0 BDADLO COc1cc(C[NH2+]Cc2cnn[nH]2)ccc1C ZINC000623578264 363011103 /nfs/dbraw/zinc/01/11/03/363011103.db2.gz AARRCUDNUGWQAB-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO COc1cc(C[NH2+]Cc2c[nH]nn2)ccc1C ZINC000623578264 363011107 /nfs/dbraw/zinc/01/11/07/363011107.db2.gz AARRCUDNUGWQAB-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO COc1ccccc1[C@@H]1C[N@H+](CCO)CCO1 ZINC000616645481 351167703 /nfs/dbraw/zinc/16/77/03/351167703.db2.gz CUVXPUZGEMRWMA-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO COc1ccccc1[C@@H]1C[N@@H+](CCO)CCO1 ZINC000616645481 351167706 /nfs/dbraw/zinc/16/77/06/351167706.db2.gz CUVXPUZGEMRWMA-ZDUSSCGKSA-N 1 2 237.299 1.061 20 0 BDADLO OCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000616637705 351135042 /nfs/dbraw/zinc/13/50/42/351135042.db2.gz PCXZPJBPWOGJIU-GFCCVEGCSA-N 1 2 225.263 1.191 20 0 BDADLO OCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000616637705 351135044 /nfs/dbraw/zinc/13/50/44/351135044.db2.gz PCXZPJBPWOGJIU-GFCCVEGCSA-N 1 2 225.263 1.191 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)o2)[C@H](C)CO1 ZINC000628324548 351237357 /nfs/dbraw/zinc/23/73/57/351237357.db2.gz YJECMYHFBYGACO-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)o2)[C@H](C)CO1 ZINC000628324548 351237358 /nfs/dbraw/zinc/23/73/58/351237358.db2.gz YJECMYHFBYGACO-KOLCDFICSA-N 1 2 224.304 1.982 20 0 BDADLO COc1ccc[nH+]c1NCc1nnc(C)o1 ZINC000623869765 351261829 /nfs/dbraw/zinc/26/18/29/351261829.db2.gz IUNDJROTUOSJCI-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000266435541 351291236 /nfs/dbraw/zinc/29/12/36/351291236.db2.gz SCTZLXTYQZEDQP-VIFPVBQESA-N 1 2 239.344 1.738 20 0 BDADLO CCc1cnc(NC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000266435541 351291239 /nfs/dbraw/zinc/29/12/39/351291239.db2.gz SCTZLXTYQZEDQP-VIFPVBQESA-N 1 2 239.344 1.738 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379994773 351307262 /nfs/dbraw/zinc/30/72/62/351307262.db2.gz VKVIIPONAMLCFI-OYNCUSHFSA-N 1 2 235.335 1.829 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)[nH+]1 ZINC000379994773 351307266 /nfs/dbraw/zinc/30/72/66/351307266.db2.gz VKVIIPONAMLCFI-OYNCUSHFSA-N 1 2 235.335 1.829 20 0 BDADLO Cc1c[nH]c(CN2CCc3nccnc3C2)[nH+]1 ZINC000628352137 351314736 /nfs/dbraw/zinc/31/47/36/351314736.db2.gz YAQFGCFRTXEJTN-UHFFFAOYSA-N 1 2 229.287 1.066 20 0 BDADLO CCCCc1cc(NC[C@@H](O)C(C)C)nc[nH+]1 ZINC000631125947 351327506 /nfs/dbraw/zinc/32/75/06/351327506.db2.gz JKOKUHLWNOCISP-GFCCVEGCSA-N 1 2 237.347 1.670 20 0 BDADLO CCCCS(=O)(=O)Cc1c[nH+]cn1C ZINC000268170047 351329681 /nfs/dbraw/zinc/32/96/81/351329681.db2.gz JAVITNMIXSPPIG-UHFFFAOYSA-N 1 2 216.306 1.135 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CN1CCCC1=O ZINC000265235392 351266435 /nfs/dbraw/zinc/26/64/35/351266435.db2.gz QEDUNIZAILPOMR-UHFFFAOYSA-N 1 2 247.298 1.205 20 0 BDADLO CC[N@H+](Cc1ccncc1)[C@H]1CCOC1=O ZINC000271020806 351393773 /nfs/dbraw/zinc/39/37/73/351393773.db2.gz NXDXEPFANLTVOM-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO CC[N@@H+](Cc1ccncc1)[C@H]1CCOC1=O ZINC000271020806 351393778 /nfs/dbraw/zinc/39/37/78/351393778.db2.gz NXDXEPFANLTVOM-NSHDSACASA-N 1 2 220.272 1.219 20 0 BDADLO CCc1cc(N[C@@H](C)C(C)(C)O)nc[nH+]1 ZINC000389977689 351413497 /nfs/dbraw/zinc/41/34/97/351413497.db2.gz GPEGDZUELKZQCA-QMMMGPOBSA-N 1 2 209.293 1.610 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000090451980 363062336 /nfs/dbraw/zinc/06/23/36/363062336.db2.gz UXXMHALTJWFHHA-BBBLOLIVSA-N 1 2 229.320 1.484 20 0 BDADLO Cc1noc2ncc(NCc3c[nH+]cn3C)cc12 ZINC000274196131 351563753 /nfs/dbraw/zinc/56/37/53/351563753.db2.gz JHIOWPOOFFBSTR-UHFFFAOYSA-N 1 2 243.270 1.877 20 0 BDADLO Cn1c2ccc(NC(=O)CO)cc2[nH+]c1C1CC1 ZINC000283341010 180616451 /nfs/dbraw/zinc/61/64/51/180616451.db2.gz SLXTZNFKFXIJJY-UHFFFAOYSA-N 1 2 245.282 1.382 20 0 BDADLO CC(C)CN(C(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000276669716 351643134 /nfs/dbraw/zinc/64/31/34/351643134.db2.gz NPVLVGCMARITAS-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H](C(=O)Nc1ccccc1O)[NH+]1CC(C)C1 ZINC000577782237 366060685 /nfs/dbraw/zinc/06/06/85/366060685.db2.gz VDOZVVNOPIBVQS-SNVBAGLBSA-N 1 2 234.299 1.671 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637882896 351750496 /nfs/dbraw/zinc/75/04/96/351750496.db2.gz JDJJSYNDQZORBU-PWSUYJOCSA-N 1 2 235.331 1.592 20 0 BDADLO C[C@@H]1C[N@H+]([C@H](c2nccn2C)C2CC2)CCO1 ZINC000637882896 351750498 /nfs/dbraw/zinc/75/04/98/351750498.db2.gz JDJJSYNDQZORBU-PWSUYJOCSA-N 1 2 235.331 1.592 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)nn1 ZINC000336783932 180643925 /nfs/dbraw/zinc/64/39/25/180643925.db2.gz JUCKEWKIWHVYHF-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccnc2)nn1 ZINC000336783932 180643926 /nfs/dbraw/zinc/64/39/26/180643926.db2.gz JUCKEWKIWHVYHF-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO CCc1cncc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000278980894 351792172 /nfs/dbraw/zinc/79/21/72/351792172.db2.gz JMHJRUANCNJZSM-UHFFFAOYSA-N 1 2 244.298 1.271 20 0 BDADLO CC1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279184602 351800474 /nfs/dbraw/zinc/80/04/74/351800474.db2.gz KPAPAEWBTLYTFK-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637888907 351760577 /nfs/dbraw/zinc/76/05/77/351760577.db2.gz JWSYSZWRXTYBDL-CHWSQXEVSA-N 1 2 249.358 1.982 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)CCO1 ZINC000637888907 351760580 /nfs/dbraw/zinc/76/05/80/351760580.db2.gz JWSYSZWRXTYBDL-CHWSQXEVSA-N 1 2 249.358 1.982 20 0 BDADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccco1 ZINC000607648909 351820521 /nfs/dbraw/zinc/82/05/21/351820521.db2.gz LVRWHPSJVTZJEM-QMMMGPOBSA-N 1 2 219.244 1.423 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2cc[nH]n2)c1C ZINC000638064642 351936181 /nfs/dbraw/zinc/93/61/81/351936181.db2.gz MPWCOEOHLDLQOD-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2cc[nH]n2)c1C ZINC000638064642 351936183 /nfs/dbraw/zinc/93/61/83/351936183.db2.gz MPWCOEOHLDLQOD-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)c(F)c1 ZINC000638066715 351938846 /nfs/dbraw/zinc/93/88/46/351938846.db2.gz LSOUECIIEGKLQU-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)c(F)c1 ZINC000638066715 351938848 /nfs/dbraw/zinc/93/88/48/351938848.db2.gz LSOUECIIEGKLQU-LBPRGKRZSA-N 1 2 239.290 1.327 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000618870791 351942748 /nfs/dbraw/zinc/94/27/48/351942748.db2.gz FZJJAVPOBSWAJX-SNVBAGLBSA-N 1 2 221.304 1.565 20 0 BDADLO CC[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C1CC1 ZINC000618870791 351942750 /nfs/dbraw/zinc/94/27/50/351942750.db2.gz FZJJAVPOBSWAJX-SNVBAGLBSA-N 1 2 221.304 1.565 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1CCN(C)C(=O)C1 ZINC000638090584 351968526 /nfs/dbraw/zinc/96/85/26/351968526.db2.gz ZBVDLEIJYTTYBC-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO COc1cccc(C)c1C[N@H+]1CCN(C)C(=O)C1 ZINC000638090584 351968528 /nfs/dbraw/zinc/96/85/28/351968528.db2.gz ZBVDLEIJYTTYBC-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO CC[C@@](C)(C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638096983 351977059 /nfs/dbraw/zinc/97/70/59/351977059.db2.gz PIRHEYKDBRIWKE-JTQLQIEISA-N 1 2 212.297 1.052 20 0 BDADLO CC[C@@](C)(C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638096983 351977061 /nfs/dbraw/zinc/97/70/61/351977061.db2.gz PIRHEYKDBRIWKE-JTQLQIEISA-N 1 2 212.297 1.052 20 0 BDADLO C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073045565 351986721 /nfs/dbraw/zinc/98/67/21/351986721.db2.gz DGINHUFBBDSNGY-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO CC[C@@H](OC)C(=O)OCc1c[nH+]ccc1OC ZINC000287251925 352119196 /nfs/dbraw/zinc/11/91/96/352119196.db2.gz QYUDTFFLOPFIFA-SNVBAGLBSA-N 1 2 239.271 1.558 20 0 BDADLO c1coc(C[NH2+]Cc2cc3c(cn2)OCCO3)c1 ZINC000638291009 352126903 /nfs/dbraw/zinc/12/69/03/352126903.db2.gz XYOLOUVCRSYVKY-UHFFFAOYSA-N 1 2 246.266 1.736 20 0 BDADLO Cc1cc(C[NH2+]Cc2nnc3n2CCC3)sn1 ZINC000638345855 352165084 /nfs/dbraw/zinc/16/50/84/352165084.db2.gz FTPQUFPXRBZLNI-UHFFFAOYSA-N 1 2 249.343 1.279 20 0 BDADLO CCc1[nH+]c(C)ccc1OCC(=O)N(C)C ZINC000289456302 352187401 /nfs/dbraw/zinc/18/74/01/352187401.db2.gz VJGNJPBBLKGPMC-UHFFFAOYSA-N 1 2 222.288 1.419 20 0 BDADLO CCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411123791 191160685 /nfs/dbraw/zinc/16/06/85/191160685.db2.gz FIPLHUOYODUAIV-UHFFFAOYSA-N 1 2 249.314 1.472 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)o1 ZINC000638415018 352225329 /nfs/dbraw/zinc/22/53/29/352225329.db2.gz DVRCERNHCGXJAR-GXTWGEPZSA-N 1 2 244.294 1.731 20 0 BDADLO CC[N@@H+](Cc1c(Cl)cnn1C)C[C@@H](C)OC ZINC000291090222 352259711 /nfs/dbraw/zinc/25/97/11/352259711.db2.gz PGZACNOENGJUCX-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO CC[N@H+](Cc1c(Cl)cnn1C)C[C@@H](C)OC ZINC000291090222 352259715 /nfs/dbraw/zinc/25/97/15/352259715.db2.gz PGZACNOENGJUCX-SECBINFHSA-N 1 2 245.754 1.930 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)on1 ZINC000630072926 363155736 /nfs/dbraw/zinc/15/57/36/363155736.db2.gz NCJVLLBQQHCVFK-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)on1 ZINC000630072926 363155739 /nfs/dbraw/zinc/15/57/39/363155739.db2.gz NCJVLLBQQHCVFK-SNVBAGLBSA-N 1 2 246.257 1.839 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](n3cccn3)C2)[nH]1 ZINC000291756924 352288396 /nfs/dbraw/zinc/28/83/96/352288396.db2.gz KYRVMGOYPFAPHY-SNVBAGLBSA-N 1 2 246.318 1.011 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](n3cccn3)C2)[nH]1 ZINC000291756924 352288399 /nfs/dbraw/zinc/28/83/99/352288399.db2.gz KYRVMGOYPFAPHY-SNVBAGLBSA-N 1 2 246.318 1.011 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCc1cncs1 ZINC000411231388 191171521 /nfs/dbraw/zinc/17/15/21/191171521.db2.gz RGBFUCNZRKOPFL-UHFFFAOYSA-N 1 2 242.344 1.617 20 0 BDADLO CCOCC[N@H+](CC)[C@H](C)c1nnc(C)[nH]1 ZINC000411267256 191174225 /nfs/dbraw/zinc/17/42/25/191174225.db2.gz BQLBUWBKUXXGGP-SECBINFHSA-N 1 2 226.324 1.533 20 0 BDADLO CCOCC[N@@H+](CC)[C@H](C)c1nnc(C)[nH]1 ZINC000411267256 191174228 /nfs/dbraw/zinc/17/42/28/191174228.db2.gz BQLBUWBKUXXGGP-SECBINFHSA-N 1 2 226.324 1.533 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccsc1C ZINC000295330797 352408956 /nfs/dbraw/zinc/40/89/56/352408956.db2.gz LXXLYXIOGBOBGN-LLVKDONJSA-N 1 2 238.356 1.767 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccsc1C ZINC000295330797 352408959 /nfs/dbraw/zinc/40/89/59/352408959.db2.gz LXXLYXIOGBOBGN-LLVKDONJSA-N 1 2 238.356 1.767 20 0 BDADLO Cn1cc[nH+]c1CNc1ccc(C(N)=O)c(F)c1 ZINC000124334357 180748825 /nfs/dbraw/zinc/74/88/25/180748825.db2.gz HFRXKZZMYQGPOQ-UHFFFAOYSA-N 1 2 248.261 1.270 20 0 BDADLO CC(C)c1nc(N(C)CC2(O)CCC2)cc[nH+]1 ZINC000353284404 187720836 /nfs/dbraw/zinc/72/08/36/187720836.db2.gz YYCDTLSNNVDYJZ-UHFFFAOYSA-N 1 2 235.331 1.951 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]CC[C@@H](C)O)C(C)C ZINC000411793599 191211652 /nfs/dbraw/zinc/21/16/52/191211652.db2.gz SSBSVCBQCCTKLP-MNOVXSKESA-N 1 2 231.336 1.323 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1[nH]cc[nH+]1 ZINC000252982495 538104044 /nfs/dbraw/zinc/10/40/44/538104044.db2.gz WQZKQQPRCDVXDQ-HLTSFMKQSA-N 1 2 207.277 1.633 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCCCC1CCCC1 ZINC000608009327 352600421 /nfs/dbraw/zinc/60/04/21/352600421.db2.gz RZLBKGFTFSROFX-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO c1coc(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000294048984 187753338 /nfs/dbraw/zinc/75/33/38/187753338.db2.gz JEDYLMPVKVLPAE-SNVBAGLBSA-N 1 2 203.245 1.711 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)o1 ZINC000638758780 352695107 /nfs/dbraw/zinc/69/51/07/352695107.db2.gz DVRCERNHCGXJAR-JSGCOSHPSA-N 1 2 244.294 1.731 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)o1 ZINC000638758782 352695235 /nfs/dbraw/zinc/69/52/35/352695235.db2.gz DVRCERNHCGXJAR-TZMCWYRMSA-N 1 2 244.294 1.731 20 0 BDADLO CO[C@H](CNc1ccc(N(C)C)c[nH+]1)C1CC1 ZINC000638759479 352696562 /nfs/dbraw/zinc/69/65/62/352696562.db2.gz JVCHMFDEEQOPBD-GFCCVEGCSA-N 1 2 235.331 1.985 20 0 BDADLO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000411970899 191236035 /nfs/dbraw/zinc/23/60/35/191236035.db2.gz NWRSNQKDOWZVJW-SKDRFNHKSA-N 1 2 223.320 1.703 20 0 BDADLO Cc1nc(N(C)CC(=O)NC(C)(C)C)cc[nH+]1 ZINC000608078299 352682962 /nfs/dbraw/zinc/68/29/62/352682962.db2.gz VSWMPQYUXUYYKI-UHFFFAOYSA-N 1 2 236.319 1.136 20 0 BDADLO CCOC(=O)C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411949082 191232052 /nfs/dbraw/zinc/23/20/52/191232052.db2.gz NZHSYFNKOOYLPT-BXKDBHETSA-N 1 2 229.320 1.343 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342078864 352737251 /nfs/dbraw/zinc/73/72/51/352737251.db2.gz RQOHWQYEECQLQB-UTUOFQBUSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342078864 352737257 /nfs/dbraw/zinc/73/72/57/352737257.db2.gz RQOHWQYEECQLQB-UTUOFQBUSA-N 1 2 240.347 1.010 20 0 BDADLO Cc1nccc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000608082952 352750192 /nfs/dbraw/zinc/75/01/92/352750192.db2.gz AFGWMYMCYDZMHO-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1nsc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000608083156 352756105 /nfs/dbraw/zinc/75/61/05/352756105.db2.gz WVMLVHXIRLFKLW-SNVBAGLBSA-N 1 2 249.343 1.885 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccn2)[C@@H](C)CN1C ZINC000334177434 352762665 /nfs/dbraw/zinc/76/26/65/352762665.db2.gz CUEDYRPUOWODSZ-RYUDHWBXSA-N 1 2 219.332 1.606 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccn2)[C@@H](C)CN1C ZINC000334177434 352762667 /nfs/dbraw/zinc/76/26/67/352762667.db2.gz CUEDYRPUOWODSZ-RYUDHWBXSA-N 1 2 219.332 1.606 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccnn1C)c1[nH]cc[nH+]1 ZINC000276359674 187850898 /nfs/dbraw/zinc/85/08/98/187850898.db2.gz AERHFGBFEYGSCR-JTQLQIEISA-N 1 2 247.302 1.270 20 0 BDADLO CCc1nc(C(=O)Nc2cc[nH+]c(C)c2)c(C)o1 ZINC000334214971 352813914 /nfs/dbraw/zinc/81/39/14/352813914.db2.gz FMDDOWDNWWKEGB-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO CC(C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000334210066 352807110 /nfs/dbraw/zinc/80/71/10/352807110.db2.gz YGPBFTMOIWIJRQ-JTQLQIEISA-N 1 2 236.319 1.327 20 0 BDADLO CCCCNc1cc(NCC2(C)CC2)nc(N)[nH+]1 ZINC000342818205 352863981 /nfs/dbraw/zinc/86/39/81/352863981.db2.gz UQYREMLOWSUGKC-UHFFFAOYSA-N 1 2 249.362 1.735 20 0 BDADLO CCCCNc1cc(NCC2(C)CC2)[nH+]c(N)n1 ZINC000342818205 352863985 /nfs/dbraw/zinc/86/39/85/352863985.db2.gz UQYREMLOWSUGKC-UHFFFAOYSA-N 1 2 249.362 1.735 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)sn1 ZINC000334259570 352871207 /nfs/dbraw/zinc/87/12/07/352871207.db2.gz UPKBGIIAONAMSS-LURJTMIESA-N 1 2 247.270 1.387 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)n1C ZINC000342852401 352875002 /nfs/dbraw/zinc/87/50/02/352875002.db2.gz CKRDUCDCEALZGB-AAEUAGOBSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1c[nH+]c(CN2CC(C)(C)OC[C@@H]2C)n1C ZINC000342852487 352875435 /nfs/dbraw/zinc/87/54/35/352875435.db2.gz CZQAJHLUCFJHRP-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2ccon2)[nH]1 ZINC000334249929 352843880 /nfs/dbraw/zinc/84/38/80/352843880.db2.gz YAACHXBPOOYYTA-SNVBAGLBSA-N 1 2 218.260 1.735 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCNC2=O)s1 ZINC000334272604 352909781 /nfs/dbraw/zinc/90/97/81/352909781.db2.gz XPUZFNLXEFSJBC-VIFPVBQESA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCNC2=O)s1 ZINC000334272604 352909782 /nfs/dbraw/zinc/90/97/82/352909782.db2.gz XPUZFNLXEFSJBC-VIFPVBQESA-N 1 2 239.344 1.080 20 0 BDADLO Cn1nccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334292704 352929982 /nfs/dbraw/zinc/92/99/82/352929982.db2.gz OMLUAOUXSSSACP-NSHDSACASA-N 1 2 231.303 1.480 20 0 BDADLO Cc1cc(N2CCC[C@H]2[C@H]2CCCO2)nc[nH+]1 ZINC000343053304 352936184 /nfs/dbraw/zinc/93/61/84/352936184.db2.gz RZESVPQBLLAAFD-NWDGAFQWSA-N 1 2 233.315 1.933 20 0 BDADLO COc1cc(C[N@@H+]2CCn3ccnc3C2)ccn1 ZINC000342861480 352879676 /nfs/dbraw/zinc/87/96/76/352879676.db2.gz XMJASDCIVSUXOQ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cc(C[N@H+]2CCn3ccnc3C2)ccn1 ZINC000342861480 352879678 /nfs/dbraw/zinc/87/96/78/352879678.db2.gz XMJASDCIVSUXOQ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO C[C@@H]1COCC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000334263368 352897492 /nfs/dbraw/zinc/89/74/92/352897492.db2.gz JPQZYNSTTYBEFS-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000334263368 352897495 /nfs/dbraw/zinc/89/74/95/352897495.db2.gz JPQZYNSTTYBEFS-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO Fc1cccc2c1CN(Cc1[nH]cc[nH+]1)CCO2 ZINC000334263768 352897947 /nfs/dbraw/zinc/89/79/47/352897947.db2.gz WQJQEOIBPRJKPX-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO c1csc(CN2CCn3cc[nH+]c3C2)n1 ZINC000334350372 352982548 /nfs/dbraw/zinc/98/25/48/352982548.db2.gz FFRBRBYHWZHCFE-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C3CC3)no2)ncn1 ZINC000638811581 352990161 /nfs/dbraw/zinc/99/01/61/352990161.db2.gz DVYXNNYPHRTESM-UHFFFAOYSA-N 1 2 244.298 1.940 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000334354935 352991495 /nfs/dbraw/zinc/99/14/95/352991495.db2.gz AOLGVFJTDVAJKZ-MNOVXSKESA-N 1 2 235.331 1.815 20 0 BDADLO CC(C)(O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000334331903 352968785 /nfs/dbraw/zinc/96/87/85/352968785.db2.gz QGEPAODBNJKYBG-UHFFFAOYSA-N 1 2 248.326 1.106 20 0 BDADLO CC(C)(O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000334331903 352968790 /nfs/dbraw/zinc/96/87/90/352968790.db2.gz QGEPAODBNJKYBG-UHFFFAOYSA-N 1 2 248.326 1.106 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000582155419 353022251 /nfs/dbraw/zinc/02/22/51/353022251.db2.gz SLVJTCJZCFVTBG-URLYPYJESA-N 1 2 234.303 1.018 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC3(C2)CCCCC3)[nH]1 ZINC000092618850 538107518 /nfs/dbraw/zinc/10/75/18/538107518.db2.gz LKMIIVUHWMCZMV-UHFFFAOYSA-N 1 2 236.319 1.254 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC3(C2)CCCCC3)[nH]1 ZINC000092618850 538107519 /nfs/dbraw/zinc/10/75/19/538107519.db2.gz LKMIIVUHWMCZMV-UHFFFAOYSA-N 1 2 236.319 1.254 20 0 BDADLO CCc1cc(N[C@@H](C)C(=O)N(C)CC)nc[nH+]1 ZINC000231866768 538107905 /nfs/dbraw/zinc/10/79/05/538107905.db2.gz HUEFGCLEUBWODT-VIFPVBQESA-N 1 2 236.319 1.318 20 0 BDADLO CC(C)c1nc(N[C@H]2CCC[C@]2(C)CO)cc[nH+]1 ZINC000608090082 353110377 /nfs/dbraw/zinc/11/03/77/353110377.db2.gz ZCCSLXAVJABXHE-SMDDNHRTSA-N 1 2 249.358 1.985 20 0 BDADLO Cn1cccc1C[N@@H+]1CCOCC12CC2 ZINC000334471641 353115602 /nfs/dbraw/zinc/11/56/02/353115602.db2.gz HAYVSRBYHDKKBM-UHFFFAOYSA-N 1 2 206.289 1.390 20 0 BDADLO Cn1cccc1C[N@H+]1CCOCC12CC2 ZINC000334471641 353115603 /nfs/dbraw/zinc/11/56/03/353115603.db2.gz HAYVSRBYHDKKBM-UHFFFAOYSA-N 1 2 206.289 1.390 20 0 BDADLO O=C(C[NH2+]Cc1cc(C2CC2)no1)NCC1CC1 ZINC000638912637 353077584 /nfs/dbraw/zinc/07/75/84/353077584.db2.gz VDHDHGXYGLPCOV-UHFFFAOYSA-N 1 2 249.314 1.168 20 0 BDADLO Cc1cc(NC[C@H]2CCC[C@H]2O)nc(C2CC2)[nH+]1 ZINC000608092286 353119162 /nfs/dbraw/zinc/11/91/62/353119162.db2.gz ZSXVJOZIEGWWCL-VXGBXAGGSA-N 1 2 247.342 1.657 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]2CCCO)no1 ZINC000052762552 353218905 /nfs/dbraw/zinc/21/89/05/353218905.db2.gz BFXYJDZXSQQLHM-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]2CCCO)no1 ZINC000052762552 353218908 /nfs/dbraw/zinc/21/89/08/353218908.db2.gz BFXYJDZXSQQLHM-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]C[C@H]2CCCO2)no1 ZINC000331271417 353232974 /nfs/dbraw/zinc/23/29/74/353232974.db2.gz NDRWZRBMZNYZJG-SECBINFHSA-N 1 2 239.319 1.636 20 0 BDADLO CCNC(=O)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000134841607 538113758 /nfs/dbraw/zinc/11/37/58/538113758.db2.gz GZCUDPIUTFKHCU-UHFFFAOYSA-N 1 2 241.360 1.492 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000134552661 538113078 /nfs/dbraw/zinc/11/30/78/538113078.db2.gz QJQYNTFUOJXEGB-MWLCHTKSSA-N 1 2 223.320 1.938 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000134993408 538114437 /nfs/dbraw/zinc/11/44/37/538114437.db2.gz FQTRDHIVADLHSW-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000134993408 538114438 /nfs/dbraw/zinc/11/44/38/538114438.db2.gz FQTRDHIVADLHSW-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)N1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000084696796 538114802 /nfs/dbraw/zinc/11/48/02/538114802.db2.gz FFTZCCRCBFCFGX-NSHDSACASA-N 1 2 248.330 1.100 20 0 BDADLO COc1ccc(NCc2[nH+]ccn2C)nc1 ZINC000225895097 538114605 /nfs/dbraw/zinc/11/46/05/538114605.db2.gz OFNOIWPRHNXUQB-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO CC[C@]1(O)CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000334500694 353332667 /nfs/dbraw/zinc/33/26/67/353332667.db2.gz KFBVDHDNMJVUNP-AWEZNQCLSA-N 1 2 245.326 1.925 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1[nH]cc[nH+]1 ZINC000252978690 353314170 /nfs/dbraw/zinc/31/41/70/353314170.db2.gz DDSDMQZKPLSLIK-GUBZILKMSA-N 1 2 237.303 1.402 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1Cc2ccccc21 ZINC000135489719 538115320 /nfs/dbraw/zinc/11/53/20/538115320.db2.gz ZTXIUZMXGYJDII-LBPRGKRZSA-N 1 2 241.294 1.408 20 0 BDADLO Cc1noc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)n1 ZINC000118412799 353355123 /nfs/dbraw/zinc/35/51/23/353355123.db2.gz WBEJALINGPXJMO-YUMQZZPRSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1noc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)n1 ZINC000118412799 353355124 /nfs/dbraw/zinc/35/51/24/353355124.db2.gz WBEJALINGPXJMO-YUMQZZPRSA-N 1 2 227.333 1.704 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000232775951 353394084 /nfs/dbraw/zinc/39/40/84/353394084.db2.gz MRBFUWCBVGXQHB-NTSWFWBYSA-N 1 2 242.710 1.284 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000232775951 353394087 /nfs/dbraw/zinc/39/40/87/353394087.db2.gz MRBFUWCBVGXQHB-NTSWFWBYSA-N 1 2 242.710 1.284 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccc[nH]2)n1 ZINC000537659795 324095229 /nfs/dbraw/zinc/09/52/29/324095229.db2.gz REPUBEAHWVKDSG-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccc[nH]2)n1 ZINC000537659795 324095235 /nfs/dbraw/zinc/09/52/35/324095235.db2.gz REPUBEAHWVKDSG-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCc1cccs1 ZINC000343292507 353371370 /nfs/dbraw/zinc/37/13/70/353371370.db2.gz DZIRVROVQKEHBH-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)c(C#N)c[nH+]1 ZINC000398962458 353388606 /nfs/dbraw/zinc/38/86/06/353388606.db2.gz NZARFCAFCDRZET-VXGBXAGGSA-N 1 2 231.299 1.255 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000230011128 353420547 /nfs/dbraw/zinc/42/05/47/353420547.db2.gz HOFIDYCXOGJZBG-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)o1 ZINC000230011128 353420550 /nfs/dbraw/zinc/42/05/50/353420550.db2.gz HOFIDYCXOGJZBG-CMPLNLGQSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)[nH]1 ZINC000642290498 363221198 /nfs/dbraw/zinc/22/11/98/363221198.db2.gz JMHVIPWAPSGNOK-UHFFFAOYSA-N 1 2 232.287 1.258 20 0 BDADLO Cc1cc(NC2(CO)CC2)nc(C2CC2)[nH+]1 ZINC000157520409 353453031 /nfs/dbraw/zinc/45/30/31/353453031.db2.gz FCHLSYYBMNDRIW-UHFFFAOYSA-N 1 2 219.288 1.599 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCOC(C)(C)C ZINC000194415593 353652933 /nfs/dbraw/zinc/65/29/33/353652933.db2.gz IDADJTXSIRORRB-UHFFFAOYSA-N 1 2 249.318 1.683 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCc1ccsc1 ZINC000189872586 353694390 /nfs/dbraw/zinc/69/43/90/353694390.db2.gz PWYIQAZFUHTVBB-UHFFFAOYSA-N 1 2 249.339 1.731 20 0 BDADLO Fc1cccc2c1[C@@H](NCc1[nH]cc[nH+]1)CO2 ZINC000373286177 181006519 /nfs/dbraw/zinc/00/65/19/181006519.db2.gz RBPYMWIPKWMPTC-VIFPVBQESA-N 1 2 233.246 1.772 20 0 BDADLO CS[C@@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000618937358 363262933 /nfs/dbraw/zinc/26/29/33/363262933.db2.gz ZVKCUSNUMRXRGK-QMMMGPOBSA-N 1 2 241.360 1.555 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)cc1 ZINC000037989328 358480914 /nfs/dbraw/zinc/48/09/14/358480914.db2.gz QQUXHUUGUVAFHX-JTQLQIEISA-N 1 2 247.273 1.841 20 0 BDADLO Fc1cncc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000275096850 181019173 /nfs/dbraw/zinc/01/91/73/181019173.db2.gz AXNBGKMYIWUFCW-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cncc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000275096850 181019175 /nfs/dbraw/zinc/01/91/75/181019175.db2.gz AXNBGKMYIWUFCW-ZDUSSCGKSA-N 1 2 236.290 1.832 20 0 BDADLO CO[C@H](C)[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000639128359 353834229 /nfs/dbraw/zinc/83/42/29/353834229.db2.gz VTKSIOSGLSZYAV-HTQZYQBOSA-N 1 2 225.292 1.460 20 0 BDADLO CCc1cc(N[C@H](C)C[C@H](C)O)nc[nH+]1 ZINC000136368761 491056455 /nfs/dbraw/zinc/05/64/55/491056455.db2.gz OJMFGDJVTQSAFO-BDAKNGLRSA-N 1 2 209.293 1.610 20 0 BDADLO CO[C@H](C[NH2+]C1(C(F)F)CC1)[C@@H]1CCOC1 ZINC000639139309 353855557 /nfs/dbraw/zinc/85/55/57/353855557.db2.gz INYXEZXNTSBHAW-RKDXNWHRSA-N 1 2 235.274 1.425 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CC)CCOC ZINC000343635095 353949803 /nfs/dbraw/zinc/94/98/03/353949803.db2.gz AXGONEXHVCJNCT-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CC)CCOC ZINC000343635095 353949805 /nfs/dbraw/zinc/94/98/05/353949805.db2.gz AXGONEXHVCJNCT-UHFFFAOYSA-N 1 2 240.351 1.465 20 0 BDADLO Cc1nc(C)c(F)c(NCc2[nH+]ccn2C)n1 ZINC000343572843 353937787 /nfs/dbraw/zinc/93/77/87/353937787.db2.gz AEUMUFLEQVZUQH-UHFFFAOYSA-N 1 2 235.266 1.000 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2ccnn2C)c1 ZINC000343763887 353978318 /nfs/dbraw/zinc/97/83/18/353978318.db2.gz JPCUEJUTPOCPFW-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2ccnn2C)c1 ZINC000343763887 353978322 /nfs/dbraw/zinc/97/83/22/353978322.db2.gz JPCUEJUTPOCPFW-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CCC[C@@H]1CO ZINC000334555876 354000819 /nfs/dbraw/zinc/00/08/19/354000819.db2.gz UPHLEFUJQXFYHC-SECBINFHSA-N 1 2 249.289 1.674 20 0 BDADLO CCC(CC)([NH2+]C[C@@H](O)C(C)(C)C)C(=O)OC ZINC000343808089 354010571 /nfs/dbraw/zinc/01/05/71/354010571.db2.gz JAZVSPSHIZTZKO-SNVBAGLBSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000343980040 354057336 /nfs/dbraw/zinc/05/73/36/354057336.db2.gz HDEHKCSVEZRISJ-GXSJLCMTSA-N 1 2 221.304 1.267 20 0 BDADLO C[C@H]1C[N@H+](CC2CCCC2)CCS(=O)(=O)C1 ZINC000334560803 354114011 /nfs/dbraw/zinc/11/40/11/354114011.db2.gz UPKZEJJZEATAPY-NSHDSACASA-N 1 2 245.388 1.543 20 0 BDADLO C[C@H]1C[N@@H+](CC2CCCC2)CCS(=O)(=O)C1 ZINC000334560803 354114013 /nfs/dbraw/zinc/11/40/13/354114013.db2.gz UPKZEJJZEATAPY-NSHDSACASA-N 1 2 245.388 1.543 20 0 BDADLO C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000344084235 354136402 /nfs/dbraw/zinc/13/64/02/354136402.db2.gz CYYIEVAHJLXXLZ-UTUOFQBUSA-N 1 2 247.342 1.560 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCc1nccs1 ZINC000344172450 354172471 /nfs/dbraw/zinc/17/24/71/354172471.db2.gz MBTXEXYYSGUGMF-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000366858209 354142626 /nfs/dbraw/zinc/14/26/26/354142626.db2.gz NPKYHMZTAHYMAC-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000366858209 354142629 /nfs/dbraw/zinc/14/26/29/354142629.db2.gz NPKYHMZTAHYMAC-CHWSQXEVSA-N 1 2 233.315 1.538 20 0 BDADLO CO[C@@H]1CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000231683851 363349074 /nfs/dbraw/zinc/34/90/74/363349074.db2.gz CPAWERGSIRHHSG-VHSXEESVSA-N 1 2 207.277 1.764 20 0 BDADLO CCn1c[nH+]cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000334583049 354204013 /nfs/dbraw/zinc/20/40/13/354204013.db2.gz ZSAGGJWTOBRISH-TXEJJXNPSA-N 1 2 221.304 1.266 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000344457150 354264048 /nfs/dbraw/zinc/26/40/48/354264048.db2.gz JJXROKIOQKBMSQ-AWEZNQCLSA-N 1 2 245.326 1.931 20 0 BDADLO O=C(Cc1ccoc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000334596536 354230013 /nfs/dbraw/zinc/23/00/13/354230013.db2.gz PHEAMANOARRHCP-LLVKDONJSA-N 1 2 245.282 1.150 20 0 BDADLO CC(C)c1nc(N2CCC(=O)CC2)cc[nH+]1 ZINC000344544887 354313459 /nfs/dbraw/zinc/31/34/59/354313459.db2.gz PJIGLDDCEOISNJ-UHFFFAOYSA-N 1 2 219.288 1.769 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cn(C)cn1 ZINC000178716757 366157492 /nfs/dbraw/zinc/15/74/92/366157492.db2.gz AEDFTOSAPLLSKW-UHFFFAOYSA-N 1 2 232.243 1.076 20 0 BDADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1nncn1C)OC ZINC000639183046 354341646 /nfs/dbraw/zinc/34/16/46/354341646.db2.gz QKDGPLXCPJSGEL-WDEREUQCSA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1nncn1C)OC ZINC000639183046 354341649 /nfs/dbraw/zinc/34/16/49/354341649.db2.gz QKDGPLXCPJSGEL-WDEREUQCSA-N 1 2 240.351 1.308 20 0 BDADLO Cc1sccc1CC(=O)NCCn1cc[nH+]c1 ZINC000345021033 354398497 /nfs/dbraw/zinc/39/84/97/354398497.db2.gz LTBNXHUJRTXJDY-UHFFFAOYSA-N 1 2 249.339 1.612 20 0 BDADLO Cc1nc(CC[N@@H+]2CCOCC23CC3)cs1 ZINC000335926526 134009008 /nfs/dbraw/zinc/00/90/08/134009008.db2.gz IEOYZWNRYRZYDV-UHFFFAOYSA-N 1 2 238.356 1.859 20 0 BDADLO Cc1nc(CC[N@H+]2CCOCC23CC3)cs1 ZINC000335926526 134009009 /nfs/dbraw/zinc/00/90/09/134009009.db2.gz IEOYZWNRYRZYDV-UHFFFAOYSA-N 1 2 238.356 1.859 20 0 BDADLO CS[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334652234 354445145 /nfs/dbraw/zinc/44/51/45/354445145.db2.gz RHDUGCCFPUCVQB-MRVPVSSYSA-N 1 2 239.344 1.909 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCO[C@@H](CF)C1 ZINC000334657771 354452844 /nfs/dbraw/zinc/45/28/44/354452844.db2.gz AJEWWCQYWCICBI-JTQLQIEISA-N 1 2 249.289 1.748 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCn2ccnc2C1 ZINC000334663484 354464117 /nfs/dbraw/zinc/46/41/17/354464117.db2.gz RJWCJLPRBAEWBO-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cnccc1C[N@H+]1CCn2ccnc2C1 ZINC000334663484 354464118 /nfs/dbraw/zinc/46/41/18/354464118.db2.gz RJWCJLPRBAEWBO-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000334692722 354482485 /nfs/dbraw/zinc/48/24/85/354482485.db2.gz AFAUQVFOVDZIIO-SKDRFNHKSA-N 1 2 249.314 1.047 20 0 BDADLO C[C@@H]1C[C@@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000334693553 354483987 /nfs/dbraw/zinc/48/39/87/354483987.db2.gz GFGFVUMVWDIYET-SFYZADRCSA-N 1 2 204.233 1.438 20 0 BDADLO O=C1[C@@H]([N@@H+]2CC[C@@H](F)C2)CCN1c1ccccc1 ZINC000334697469 354489282 /nfs/dbraw/zinc/48/92/82/354489282.db2.gz CORMENWHIXZFDZ-YPMHNXCESA-N 1 2 248.301 1.836 20 0 BDADLO O=C1[C@@H]([N@H+]2CC[C@@H](F)C2)CCN1c1ccccc1 ZINC000334697469 354489283 /nfs/dbraw/zinc/48/92/83/354489283.db2.gz CORMENWHIXZFDZ-YPMHNXCESA-N 1 2 248.301 1.836 20 0 BDADLO Cc1nnc(C[N@@H+]2CC(C)=C[C@@H](C)C2)[nH]1 ZINC000334710250 354506758 /nfs/dbraw/zinc/50/67/58/354506758.db2.gz LVJAWTFCZQMDAJ-MRVPVSSYSA-N 1 2 206.293 1.511 20 0 BDADLO Cc1nnc(C[N@H+]2CC(C)=C[C@@H](C)C2)[nH]1 ZINC000334710250 354506759 /nfs/dbraw/zinc/50/67/59/354506759.db2.gz LVJAWTFCZQMDAJ-MRVPVSSYSA-N 1 2 206.293 1.511 20 0 BDADLO Cc1cc(C)c(NC(=O)NC2(CO)CC2)c(C)[nH+]1 ZINC000334717306 354516064 /nfs/dbraw/zinc/51/60/64/354516064.db2.gz KAEKCXMGXLVKJE-UHFFFAOYSA-N 1 2 249.314 1.653 20 0 BDADLO COC(=O)[C@@]1(C)CCCN(c2cccc[nH+]2)C1 ZINC000334724961 354524859 /nfs/dbraw/zinc/52/48/59/354524859.db2.gz AGTNGKRMWSBLPV-ZDUSSCGKSA-N 1 2 234.299 1.861 20 0 BDADLO Cc1cc(NC(=O)[C@H](O)C2CCCCC2)cc[nH+]1 ZINC000334802344 354557786 /nfs/dbraw/zinc/55/77/86/354557786.db2.gz HBBJDRQNBTUHCQ-CYBMUJFWSA-N 1 2 248.326 1.692 20 0 BDADLO O=C(NC1CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334754835 354576229 /nfs/dbraw/zinc/57/62/29/354576229.db2.gz CEXARMVKCVCTPW-SECBINFHSA-N 1 2 234.303 1.119 20 0 BDADLO O=C(NC1CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334754835 354576231 /nfs/dbraw/zinc/57/62/31/354576231.db2.gz CEXARMVKCVCTPW-SECBINFHSA-N 1 2 234.303 1.119 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)Cc1ncccc1F ZINC000334768856 354590328 /nfs/dbraw/zinc/59/03/28/354590328.db2.gz JAXXKRHKBTWWMZ-UHFFFAOYSA-N 1 2 245.257 1.527 20 0 BDADLO C[C@H]1CC[N@@H+]([C@@H]2CCOC2)CC1(F)F ZINC000335937763 134012998 /nfs/dbraw/zinc/01/29/98/134012998.db2.gz NQURYJRQKRURCP-DTWKUNHWSA-N 1 2 205.248 1.752 20 0 BDADLO C[C@H]1CC[N@H+]([C@@H]2CCOC2)CC1(F)F ZINC000335937763 134012999 /nfs/dbraw/zinc/01/29/99/134012999.db2.gz NQURYJRQKRURCP-DTWKUNHWSA-N 1 2 205.248 1.752 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000535556971 354593085 /nfs/dbraw/zinc/59/30/85/354593085.db2.gz YGPGBVYVGXASPA-LBPRGKRZSA-N 1 2 228.299 1.762 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000535556971 354593088 /nfs/dbraw/zinc/59/30/88/354593088.db2.gz YGPGBVYVGXASPA-LBPRGKRZSA-N 1 2 228.299 1.762 20 0 BDADLO C[C@H]1CC=C(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000334744598 354548050 /nfs/dbraw/zinc/54/80/50/354548050.db2.gz XFNGQJVKTIOTIK-NSHDSACASA-N 1 2 245.326 1.972 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)on1 ZINC000623188078 354625306 /nfs/dbraw/zinc/62/53/06/354625306.db2.gz ITTDNNIZGLVJFK-NSHDSACASA-N 1 2 232.287 1.873 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)on1 ZINC000623188078 354625308 /nfs/dbraw/zinc/62/53/08/354625308.db2.gz ITTDNNIZGLVJFK-NSHDSACASA-N 1 2 232.287 1.873 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000335099643 354640796 /nfs/dbraw/zinc/64/07/96/354640796.db2.gz YHIRESOUQMAAQX-ZJUUUORDSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)(C)N1CC[C@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000335099643 354640798 /nfs/dbraw/zinc/64/07/98/354640798.db2.gz YHIRESOUQMAAQX-ZJUUUORDSA-N 1 2 228.311 1.430 20 0 BDADLO CC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000335081024 354643887 /nfs/dbraw/zinc/64/38/87/354643887.db2.gz IPRBDBPKAJXKLG-UHFFFAOYSA-N 1 2 215.256 1.713 20 0 BDADLO CCC[C@@H](C)CC(=O)Nc1cc[nH+]cc1O ZINC000345378715 354645779 /nfs/dbraw/zinc/64/57/79/354645779.db2.gz KIJHQTMKNYGOKY-SECBINFHSA-N 1 2 222.288 1.974 20 0 BDADLO CC(C)N(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000335086595 354620567 /nfs/dbraw/zinc/62/05/67/354620567.db2.gz XDZKMQZDMGTXJP-UHFFFAOYSA-N 1 2 240.347 1.108 20 0 BDADLO CCC(=O)N1CC[N@H+](CC2=CCCCC2)C1 ZINC000335116192 354706442 /nfs/dbraw/zinc/70/64/42/354706442.db2.gz LKSSXIAXYGLCOC-UHFFFAOYSA-N 1 2 222.332 1.999 20 0 BDADLO CCC(=O)N1CC[N@@H+](CC2=CCCCC2)C1 ZINC000335116192 354706445 /nfs/dbraw/zinc/70/64/45/354706445.db2.gz LKSSXIAXYGLCOC-UHFFFAOYSA-N 1 2 222.332 1.999 20 0 BDADLO Cc1ncc([C@@H](C)[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000639208700 354726982 /nfs/dbraw/zinc/72/69/82/354726982.db2.gz ASFLQKKITAYJKU-GXSJLCMTSA-N 1 2 235.331 1.875 20 0 BDADLO Cc1ncc([C@@H](C)[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000639208700 354726985 /nfs/dbraw/zinc/72/69/85/354726985.db2.gz ASFLQKKITAYJKU-GXSJLCMTSA-N 1 2 235.331 1.875 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccns1 ZINC000639210738 354756716 /nfs/dbraw/zinc/75/67/16/354756716.db2.gz ISTGCTRFNNEYPL-SNVBAGLBSA-N 1 2 225.361 1.669 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccns1 ZINC000639210738 354756720 /nfs/dbraw/zinc/75/67/20/354756720.db2.gz ISTGCTRFNNEYPL-SNVBAGLBSA-N 1 2 225.361 1.669 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1C(F)F ZINC000345798912 354773432 /nfs/dbraw/zinc/77/34/32/354773432.db2.gz IQLRPSUTPLYGPO-HTQZYQBOSA-N 1 2 229.230 1.043 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCSC[C@@H]2C)nn1 ZINC000335135753 354784701 /nfs/dbraw/zinc/78/47/01/354784701.db2.gz IOJOMKFLXIEMNN-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCSC[C@@H]2C)nn1 ZINC000335135753 354784705 /nfs/dbraw/zinc/78/47/05/354784705.db2.gz IOJOMKFLXIEMNN-JTQLQIEISA-N 1 2 240.376 1.796 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@]1(C)CC=CCC1 ZINC000335138106 354789350 /nfs/dbraw/zinc/78/93/50/354789350.db2.gz FGNKCDUWVINJIC-CYBMUJFWSA-N 1 2 248.330 1.718 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000345698684 354735153 /nfs/dbraw/zinc/73/51/53/354735153.db2.gz HEJXGBJFMKBAKN-GFCCVEGCSA-N 1 2 237.347 1.605 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000345891423 354799520 /nfs/dbraw/zinc/79/95/20/354799520.db2.gz SKWVYTHJUAIADR-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000345891423 354799523 /nfs/dbraw/zinc/79/95/23/354799523.db2.gz SKWVYTHJUAIADR-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CCCCc1nc(C[N@H+](C)[C@@H](CC)CO)no1 ZINC000345876303 354794190 /nfs/dbraw/zinc/79/41/90/354794190.db2.gz AUEAIFNDKOPDJU-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO CCCCc1nc(C[N@@H+](C)[C@@H](CC)CO)no1 ZINC000345876303 354794194 /nfs/dbraw/zinc/79/41/94/354794194.db2.gz AUEAIFNDKOPDJU-JTQLQIEISA-N 1 2 241.335 1.615 20 0 BDADLO Cc1[nH]c(C(=O)N[C@]2(C)CCO[C@H]2C2CC2)c[nH+]1 ZINC000335142006 354847056 /nfs/dbraw/zinc/84/70/56/354847056.db2.gz LKXQPXBPIICJNM-WCQYABFASA-N 1 2 249.314 1.406 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccoc1C ZINC000335160890 354912360 /nfs/dbraw/zinc/91/23/60/354912360.db2.gz QNODFYNBXNIENQ-LLVKDONJSA-N 1 2 222.288 1.298 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccoc1C ZINC000335160890 354912364 /nfs/dbraw/zinc/91/23/64/354912364.db2.gz QNODFYNBXNIENQ-LLVKDONJSA-N 1 2 222.288 1.298 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CCCSC2 ZINC000335162207 354914693 /nfs/dbraw/zinc/91/46/93/354914693.db2.gz QLHQEPSSJUBLJF-LLVKDONJSA-N 1 2 228.361 1.440 20 0 BDADLO COC1(C)CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000346261279 354883028 /nfs/dbraw/zinc/88/30/28/354883028.db2.gz MOCOZAXFXWMWKK-UHFFFAOYSA-N 1 2 233.315 1.888 20 0 BDADLO O=C([C@H]1CCN(c2cccc[nH+]2)C1)N1CCCC1 ZINC000335165161 354921561 /nfs/dbraw/zinc/92/15/61/354921561.db2.gz MDFRJAJBBQDUGJ-LBPRGKRZSA-N 1 2 245.326 1.530 20 0 BDADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C(F)F)CC1 ZINC000346431964 354930920 /nfs/dbraw/zinc/93/09/20/354930920.db2.gz JPHBXWGQBAESMM-ZETCQYMHSA-N 1 2 245.277 1.248 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172061 354936949 /nfs/dbraw/zinc/93/69/49/354936949.db2.gz AMCNKSMPEYOLTJ-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000335172061 354936951 /nfs/dbraw/zinc/93/69/51/354936951.db2.gz AMCNKSMPEYOLTJ-GWCFXTLKSA-N 1 2 239.290 1.407 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCC(C)(C)C1 ZINC000335179301 354953008 /nfs/dbraw/zinc/95/30/08/354953008.db2.gz VLGKFEMQMLOVKL-NSHDSACASA-N 1 2 235.331 1.920 20 0 BDADLO COCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000346539650 354981214 /nfs/dbraw/zinc/98/12/14/354981214.db2.gz FVIBDZOVJPBSLE-UHFFFAOYSA-N 1 2 248.286 1.411 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(F)F ZINC000335204364 355038875 /nfs/dbraw/zinc/03/88/75/355038875.db2.gz JNXQOIUEZNRENY-SECBINFHSA-N 1 2 243.257 1.387 20 0 BDADLO CCc1nc(C(=O)Nc2cc[nH+]cc2CC)co1 ZINC000346670297 355007489 /nfs/dbraw/zinc/00/74/89/355007489.db2.gz XQOMVZZLSPENCV-UHFFFAOYSA-N 1 2 245.282 1.869 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000335191490 355024439 /nfs/dbraw/zinc/02/44/39/355024439.db2.gz FLAQRJXWKNEVOK-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000335191490 355024442 /nfs/dbraw/zinc/02/44/42/355024442.db2.gz FLAQRJXWKNEVOK-CYBMUJFWSA-N 1 2 245.330 1.789 20 0 BDADLO CCN1CCN(c2cccc[nH+]2)[C@H](C)C1=O ZINC000335217426 355056453 /nfs/dbraw/zinc/05/64/53/355056453.db2.gz JYHLRBCPQZQPAZ-SNVBAGLBSA-N 1 2 219.288 1.139 20 0 BDADLO Cn1ncc2c1CCC[N@H+](Cc1cscn1)C2 ZINC000335225822 355067000 /nfs/dbraw/zinc/06/70/00/355067000.db2.gz UJRBGPWISIPCEJ-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO Cn1ncc2c1CCC[N@@H+](Cc1cscn1)C2 ZINC000335225822 355067004 /nfs/dbraw/zinc/06/70/04/355067004.db2.gz UJRBGPWISIPCEJ-UHFFFAOYSA-N 1 2 248.355 1.825 20 0 BDADLO COC[C@H]1CCCC[N@H+]1Cc1cn[nH]c1C ZINC000449757919 202024234 /nfs/dbraw/zinc/02/42/34/202024234.db2.gz FBEKMHFDAAYEKX-GFCCVEGCSA-N 1 2 223.320 1.719 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H]1CCCCO1 ZINC000346956912 355167726 /nfs/dbraw/zinc/16/77/26/355167726.db2.gz FSYLKOQDERCBND-AZKPJATDSA-N 1 2 245.388 1.397 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H]1CCCCO1 ZINC000346956912 355167728 /nfs/dbraw/zinc/16/77/28/355167728.db2.gz FSYLKOQDERCBND-AZKPJATDSA-N 1 2 245.388 1.397 20 0 BDADLO CC[C@@H](C)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000346892944 355146519 /nfs/dbraw/zinc/14/65/19/355146519.db2.gz KIFRKHSMYRLTCM-SECBINFHSA-N 1 2 234.303 1.983 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000352011681 134035157 /nfs/dbraw/zinc/03/51/57/134035157.db2.gz CIADVVTWYNXVFY-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000352011681 134035158 /nfs/dbraw/zinc/03/51/58/134035158.db2.gz CIADVVTWYNXVFY-TXEJJXNPSA-N 1 2 219.288 1.148 20 0 BDADLO CC(C)C1(C[NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC000639244009 355230715 /nfs/dbraw/zinc/23/07/15/355230715.db2.gz JYSOIKNRDVSOML-UHFFFAOYSA-N 1 2 231.361 1.151 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347628410 355239846 /nfs/dbraw/zinc/23/98/46/355239846.db2.gz MMUOHJUXOSCTQU-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347628410 355239848 /nfs/dbraw/zinc/23/98/48/355239848.db2.gz MMUOHJUXOSCTQU-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CC[C@](C)(C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639235213 355217829 /nfs/dbraw/zinc/21/78/29/355217829.db2.gz QCNQZXRKXNPKPN-MWLCHTKSSA-N 1 2 239.306 1.749 20 0 BDADLO CC[C@](C)(C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000639235213 355217832 /nfs/dbraw/zinc/21/78/32/355217832.db2.gz QCNQZXRKXNPKPN-MWLCHTKSSA-N 1 2 239.306 1.749 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000413452437 191386074 /nfs/dbraw/zinc/38/60/74/191386074.db2.gz NWDITKCNICDVGG-ZJUUUORDSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1cc(N2CCCO[C@H](CF)C2)nc[nH+]1 ZINC000413484521 191387793 /nfs/dbraw/zinc/38/77/93/191387793.db2.gz RSTKFKSGJBPDOK-SNVBAGLBSA-N 1 2 225.267 1.350 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H](O)C(C)C ZINC000413542309 191395073 /nfs/dbraw/zinc/39/50/73/191395073.db2.gz NQMLGJRWYGUZMH-DGCLKSJQSA-N 1 2 249.358 1.983 20 0 BDADLO CC(C)(O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413229543 191365145 /nfs/dbraw/zinc/36/51/45/191365145.db2.gz LKVQUZIRQAVWIH-UHFFFAOYSA-N 1 2 236.319 1.624 20 0 BDADLO CC(C)(O)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413229543 191365147 /nfs/dbraw/zinc/36/51/47/191365147.db2.gz LKVQUZIRQAVWIH-UHFFFAOYSA-N 1 2 236.319 1.624 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413265954 191367679 /nfs/dbraw/zinc/36/76/79/191367679.db2.gz YHDIQYSPWBJYJQ-DTWKUNHWSA-N 1 2 236.319 1.886 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413265954 191367682 /nfs/dbraw/zinc/36/76/82/191367682.db2.gz YHDIQYSPWBJYJQ-DTWKUNHWSA-N 1 2 236.319 1.886 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1nncn1C ZINC000347666207 355256513 /nfs/dbraw/zinc/25/65/13/355256513.db2.gz ROKCSKSRQSZWBV-NSHDSACASA-N 1 2 240.351 1.044 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1nncn1C ZINC000347666207 355256516 /nfs/dbraw/zinc/25/65/16/355256516.db2.gz ROKCSKSRQSZWBV-NSHDSACASA-N 1 2 240.351 1.044 20 0 BDADLO COc1cc(NCCc2ccc(C)c[nH+]2)ncn1 ZINC000413350796 191373902 /nfs/dbraw/zinc/37/39/02/191373902.db2.gz KORXGXVDMJJHBS-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO CSc1cncc(NCCc2cn(C)c[nH+]2)n1 ZINC000413388548 191377959 /nfs/dbraw/zinc/37/79/59/191377959.db2.gz ZQMFFGFLZNXLDF-UHFFFAOYSA-N 1 2 249.343 1.587 20 0 BDADLO Cc1[nH+]cccc1Cc1nc([C@@H]2CCOC2)no1 ZINC000348865952 355326597 /nfs/dbraw/zinc/32/65/97/355326597.db2.gz KXPOTKUUVNQZIY-LLVKDONJSA-N 1 2 245.282 1.868 20 0 BDADLO Cc1cc(N(C)Cc2noc(C3CC3)n2)nc[nH+]1 ZINC000413609133 191399290 /nfs/dbraw/zinc/39/92/90/191399290.db2.gz QBIUJFBOICBXRA-UHFFFAOYSA-N 1 2 245.286 1.682 20 0 BDADLO Cc1cnc(C[NH+]2CC3(C2)CCCOC3)o1 ZINC000639251071 355281865 /nfs/dbraw/zinc/28/18/65/355281865.db2.gz HEOAYSPCFIRKFN-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ccns2)o1 ZINC000639251863 355286956 /nfs/dbraw/zinc/28/69/56/355286956.db2.gz KQVFPMDSKVCNNB-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO c1coc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000623234488 355364559 /nfs/dbraw/zinc/36/45/59/355364559.db2.gz LARDINPUICKFOO-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO c1coc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000623234488 355364562 /nfs/dbraw/zinc/36/45/62/355364562.db2.gz LARDINPUICKFOO-UHFFFAOYSA-N 1 2 203.245 1.561 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccon1 ZINC000349231323 355370875 /nfs/dbraw/zinc/37/08/75/355370875.db2.gz AGXLDDWFQQBPNL-VIFPVBQESA-N 1 2 245.282 1.624 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349238216 355373223 /nfs/dbraw/zinc/37/32/23/355373223.db2.gz GVVXTGHWOXPLJK-LPEHRKFASA-N 1 2 239.319 1.628 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccon1 ZINC000349239867 355374029 /nfs/dbraw/zinc/37/40/29/355374029.db2.gz LOZPHRFMLKQZAR-SECBINFHSA-N 1 2 237.303 1.384 20 0 BDADLO CCC[C@](C)(O)C(=O)Nc1cc[nH+]cc1C ZINC000125447771 324641380 /nfs/dbraw/zinc/64/13/80/324641380.db2.gz DJZGMGWWFAPAAF-LBPRGKRZSA-N 1 2 222.288 1.880 20 0 BDADLO C[C@H]1CC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000349679665 355410257 /nfs/dbraw/zinc/41/02/57/355410257.db2.gz MFUWAOKWEIWEDL-WDEREUQCSA-N 1 2 236.319 1.371 20 0 BDADLO CCCCOCC[N@@H+]1CCNC(=O)[C@H]1CC ZINC000349747095 355422037 /nfs/dbraw/zinc/42/20/37/355422037.db2.gz PTBMFRJJUWMFPO-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCOCC[N@H+]1CCNC(=O)[C@H]1CC ZINC000349747095 355422042 /nfs/dbraw/zinc/42/20/42/355422042.db2.gz PTBMFRJJUWMFPO-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CC1(C)CC1 ZINC000335783076 355430650 /nfs/dbraw/zinc/43/06/50/355430650.db2.gz VZQJFSWLEQTQDW-UHFFFAOYSA-N 1 2 204.273 1.941 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)CCS1 ZINC000335783999 355432371 /nfs/dbraw/zinc/43/23/71/355432371.db2.gz YBMZPORDWLHXFH-UHFFFAOYSA-N 1 2 223.345 1.804 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)CCS1 ZINC000335783999 355432372 /nfs/dbraw/zinc/43/23/72/355432372.db2.gz YBMZPORDWLHXFH-UHFFFAOYSA-N 1 2 223.345 1.804 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000335795130 355451282 /nfs/dbraw/zinc/45/12/82/355451282.db2.gz JJROQFNFBVKHAW-DGCLKSJQSA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH]c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000335795130 355451285 /nfs/dbraw/zinc/45/12/85/355451285.db2.gz JJROQFNFBVKHAW-DGCLKSJQSA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH+]c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)[nH]1 ZINC000335795130 355451289 /nfs/dbraw/zinc/45/12/89/355451289.db2.gz JJROQFNFBVKHAW-DGCLKSJQSA-N 1 2 247.342 1.943 20 0 BDADLO CCc1cc[nH+]cc1N[C@H](C)Cn1cncn1 ZINC000639293491 355530880 /nfs/dbraw/zinc/53/08/80/355530880.db2.gz CMTUAEAPONKNQB-SNVBAGLBSA-N 1 2 231.303 1.736 20 0 BDADLO Cc1nc(N[C@H](C)CCCCO)cc[nH+]1 ZINC000398646379 355547732 /nfs/dbraw/zinc/54/77/32/355547732.db2.gz ZYLGEVUPZYLJIM-SECBINFHSA-N 1 2 209.293 1.170 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1(F)F ZINC000335830400 355556912 /nfs/dbraw/zinc/55/69/12/355556912.db2.gz PEZLLTYHSXXENV-APPZFPTMSA-N 1 2 241.241 1.127 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335830838 355557552 /nfs/dbraw/zinc/55/75/52/355557552.db2.gz UFXOZDSPJMSAHY-SNVBAGLBSA-N 1 2 244.298 1.264 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@@H+]1CCn2nncc2C1)OC ZINC000639296121 355592097 /nfs/dbraw/zinc/59/20/97/355592097.db2.gz LZMXDLQQHUNRQE-ZYHUDNBSSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@@H](C)[C@@H](C[N@H+]1CCn2nncc2C1)OC ZINC000639296121 355592100 /nfs/dbraw/zinc/59/21/00/355592100.db2.gz LZMXDLQQHUNRQE-ZYHUDNBSSA-N 1 2 238.335 1.155 20 0 BDADLO O[C@H]1CC[N@H+](CCC[C@@H]2CCO2)CC1(F)F ZINC000639310144 355666647 /nfs/dbraw/zinc/66/66/47/355666647.db2.gz OIUPCMVIYIXEIW-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO O[C@H]1CC[N@@H+](CCC[C@@H]2CCO2)CC1(F)F ZINC000639310144 355666650 /nfs/dbraw/zinc/66/66/50/355666650.db2.gz OIUPCMVIYIXEIW-ZJUUUORDSA-N 1 2 235.274 1.257 20 0 BDADLO CC(C)n1ccc(C[N@@H+]2CCOC[C@@H](C)C2)n1 ZINC000335860606 355622808 /nfs/dbraw/zinc/62/28/08/355622808.db2.gz LWIDDRVQRFVANO-LBPRGKRZSA-N 1 2 237.347 1.932 20 0 BDADLO CC(C)n1ccc(C[N@H+]2CCOC[C@@H](C)C2)n1 ZINC000335860606 355622812 /nfs/dbraw/zinc/62/28/12/355622812.db2.gz LWIDDRVQRFVANO-LBPRGKRZSA-N 1 2 237.347 1.932 20 0 BDADLO C[C@H]1C[NH+](Cc2ccc(F)cn2)C[C@H](C)O1 ZINC000335860491 355623037 /nfs/dbraw/zinc/62/30/37/355623037.db2.gz RGJVUWJJXLYMLF-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO COCc1cc[nH+]c(NCCC[C@H]2CCO2)c1 ZINC000639313687 355692157 /nfs/dbraw/zinc/69/21/57/355692157.db2.gz VSRGGONFYCKBEL-LBPRGKRZSA-N 1 2 236.315 1.631 20 0 BDADLO CC[C@](C)(C[N@@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639311964 355672799 /nfs/dbraw/zinc/67/27/99/355672799.db2.gz XMCCUQRAFIPGLJ-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@](C)(C[N@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000639311964 355672802 /nfs/dbraw/zinc/67/28/02/355672802.db2.gz XMCCUQRAFIPGLJ-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000336001163 134047106 /nfs/dbraw/zinc/04/71/06/134047106.db2.gz SGVLVZIAUPUODD-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000336001163 134047107 /nfs/dbraw/zinc/04/71/07/134047107.db2.gz SGVLVZIAUPUODD-RYUDHWBXSA-N 1 2 220.316 1.999 20 0 BDADLO CC(C)c1nc(N2C[C@@H](O)C[C@@H]2C)cc[nH+]1 ZINC000350684899 355741518 /nfs/dbraw/zinc/74/15/18/355741518.db2.gz MHZIZLPXVCTDKF-UWVGGRQHSA-N 1 2 221.304 1.560 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2CO)cs1 ZINC000639334495 355765192 /nfs/dbraw/zinc/76/51/92/355765192.db2.gz SAEDVGITXICJNN-GFCCVEGCSA-N 1 2 240.372 1.165 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2CO)cs1 ZINC000639334495 355765194 /nfs/dbraw/zinc/76/51/94/355765194.db2.gz SAEDVGITXICJNN-GFCCVEGCSA-N 1 2 240.372 1.165 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1cn(C)nn1)OC ZINC000639322347 355723900 /nfs/dbraw/zinc/72/39/00/355723900.db2.gz SCIBPDACQUFKIT-JQWIXIFHSA-N 1 2 240.351 1.308 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1cn(C)nn1)OC ZINC000639322347 355723901 /nfs/dbraw/zinc/72/39/01/355723901.db2.gz SCIBPDACQUFKIT-JQWIXIFHSA-N 1 2 240.351 1.308 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OC ZINC000582196940 355731491 /nfs/dbraw/zinc/73/14/91/355731491.db2.gz BSYVCMSNNSINMD-QWRGUYRKSA-N 1 2 227.304 1.263 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)C1(CO)CCC1 ZINC000583601170 355732249 /nfs/dbraw/zinc/73/22/49/355732249.db2.gz BVIAUUWZYXCTCN-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)C1(CO)CCC1 ZINC000583601170 355732251 /nfs/dbraw/zinc/73/22/51/355732251.db2.gz BVIAUUWZYXCTCN-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO Cc1cnc(C[N@H+](CCCO)C2CC2)o1 ZINC000608497952 355824750 /nfs/dbraw/zinc/82/47/50/355824750.db2.gz XAMUVWOKDKBMSW-UHFFFAOYSA-N 1 2 210.277 1.330 20 0 BDADLO Cc1cnc(C[N@@H+](CCCO)C2CC2)o1 ZINC000608497952 355824754 /nfs/dbraw/zinc/82/47/54/355824754.db2.gz XAMUVWOKDKBMSW-UHFFFAOYSA-N 1 2 210.277 1.330 20 0 BDADLO C[C@@H](Nc1c[nH+]cc(N(C)C)c1)[C@H]1CCOC1 ZINC000639364953 355837462 /nfs/dbraw/zinc/83/74/62/355837462.db2.gz KVZFTMSXHLXVIT-MNOVXSKESA-N 1 2 235.331 1.985 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CC2(CC2)C1 ZINC000623254615 355856014 /nfs/dbraw/zinc/85/60/14/355856014.db2.gz MRJCGKATAKRTGQ-JTQLQIEISA-N 1 2 231.299 1.114 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255658 355860902 /nfs/dbraw/zinc/86/09/02/355860902.db2.gz OIERJTDDKMXWFA-MDZLAQPJSA-N 1 2 247.342 1.750 20 0 BDADLO CCC[C@H]([NH2+]CCSC)C(=O)OCC ZINC000097988054 355874431 /nfs/dbraw/zinc/87/44/31/355874431.db2.gz FJYQSTODRNWCOY-VIFPVBQESA-N 1 2 219.350 1.671 20 0 BDADLO CCCn1nc(C)c(C[NH2+]Cc2ncc[nH]2)c1C ZINC000639372553 355875731 /nfs/dbraw/zinc/87/57/31/355875731.db2.gz RBHDKVYOMFTSAX-UHFFFAOYSA-N 1 2 247.346 1.923 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cn[nH]c(=O)c1Cl ZINC000428106182 191921724 /nfs/dbraw/zinc/92/17/24/191921724.db2.gz CFUFVTFMBCLSKJ-UHFFFAOYSA-N 1 2 239.666 1.195 20 0 BDADLO CCc1cc(NCc2nncn2CC)nc[nH+]1 ZINC000223444638 355900345 /nfs/dbraw/zinc/90/03/45/355900345.db2.gz DYIQXBYXFNYJOB-UHFFFAOYSA-N 1 2 232.291 1.263 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccoc1Cl ZINC000192396644 355982939 /nfs/dbraw/zinc/98/29/39/355982939.db2.gz CLLTUWONFQOVHY-UHFFFAOYSA-N 1 2 239.662 1.560 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000336063351 134069668 /nfs/dbraw/zinc/06/96/68/134069668.db2.gz OHFONJBDOWTWDB-APPZFPTMSA-N 1 2 207.277 1.637 20 0 BDADLO COCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000351474141 355997442 /nfs/dbraw/zinc/99/74/42/355997442.db2.gz FMJCQRKHBPFXHH-VIFPVBQESA-N 1 2 239.319 1.797 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000351488564 355999108 /nfs/dbraw/zinc/99/91/08/355999108.db2.gz AVRIELWHSSBGRC-DMDPSCGWSA-N 1 2 243.347 1.469 20 0 BDADLO CO[C@@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351522536 356007587 /nfs/dbraw/zinc/00/75/87/356007587.db2.gz LQVGYHANLXKGCI-VXNVDRBHSA-N 1 2 211.265 1.160 20 0 BDADLO CN(CC(F)(F)F)C(=O)CCCn1cc[nH+]c1 ZINC000623257002 356002973 /nfs/dbraw/zinc/00/29/73/356002973.db2.gz WRAZOECCUBHDOQ-UHFFFAOYSA-N 1 2 249.236 1.684 20 0 BDADLO CO[C@@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000351522536 356007590 /nfs/dbraw/zinc/00/75/90/356007590.db2.gz LQVGYHANLXKGCI-VXNVDRBHSA-N 1 2 211.265 1.160 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC000583635519 355942444 /nfs/dbraw/zinc/94/24/44/355942444.db2.gz KWVOYWAGQLBGRN-VWYCJHECSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@]1(O)CCN(c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000367116825 355951666 /nfs/dbraw/zinc/95/16/66/355951666.db2.gz IKIFATLLSYENCI-ZDUSSCGKSA-N 1 2 244.298 1.228 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351147122 355954284 /nfs/dbraw/zinc/95/42/84/355954284.db2.gz QQMPVWSHQOFKGB-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351147122 355954288 /nfs/dbraw/zinc/95/42/88/355954288.db2.gz QQMPVWSHQOFKGB-NEPJUHHUSA-N 1 2 243.347 1.685 20 0 BDADLO COCCc1nc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000351521152 356007777 /nfs/dbraw/zinc/00/77/77/356007777.db2.gz UHBMWDQNEKBFII-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO COCCc1nc(C[N@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000351521152 356007780 /nfs/dbraw/zinc/00/77/80/356007780.db2.gz UHBMWDQNEKBFII-UWVGGRQHSA-N 1 2 239.319 1.489 20 0 BDADLO CC1(C)C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000639393005 356063764 /nfs/dbraw/zinc/06/37/64/356063764.db2.gz DYKWQKSBISGVKQ-UHFFFAOYSA-N 1 2 205.305 1.671 20 0 BDADLO CCOC(=O)c1c(C)onc1Cn1cc[nH+]c1 ZINC000351524028 356008627 /nfs/dbraw/zinc/00/86/27/356008627.db2.gz PQAKBSNFFCENAG-UHFFFAOYSA-N 1 2 235.243 1.405 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000351565320 356018362 /nfs/dbraw/zinc/01/83/62/356018362.db2.gz WALMVFCUEYDCKC-QUCGXOGASA-N 1 2 233.315 1.515 20 0 BDADLO c1cn(CCCSc2cccnn2)c[nH+]1 ZINC000351711756 356067330 /nfs/dbraw/zinc/06/73/30/356067330.db2.gz JKDQCEGYZFQXLI-UHFFFAOYSA-N 1 2 220.301 1.856 20 0 BDADLO Cn1ncc(Cl)c1C[NH+]1CC(C)(C)C1 ZINC000639393301 356069191 /nfs/dbraw/zinc/06/91/91/356069191.db2.gz IJEFMILYKZJHIF-UHFFFAOYSA-N 1 2 213.712 1.915 20 0 BDADLO Cc1nc(C[N@H+](C)CCCCF)no1 ZINC000351717448 356069673 /nfs/dbraw/zinc/06/96/73/356069673.db2.gz FJHZXEZOFUZULF-UHFFFAOYSA-N 1 2 201.245 1.560 20 0 BDADLO Cc1nc(C[N@@H+](C)CCCCF)no1 ZINC000351717448 356069675 /nfs/dbraw/zinc/06/96/75/356069675.db2.gz FJHZXEZOFUZULF-UHFFFAOYSA-N 1 2 201.245 1.560 20 0 BDADLO NC(=O)c1cccc(SCCn2cc[nH+]c2)c1 ZINC000351732019 356072774 /nfs/dbraw/zinc/07/27/74/356072774.db2.gz WCKCFCPOHGHISS-UHFFFAOYSA-N 1 2 247.323 1.774 20 0 BDADLO Cn1c[nH+]cc1CSc1cccc(C(N)=O)c1 ZINC000351737265 356075785 /nfs/dbraw/zinc/07/57/85/356075785.db2.gz OOCPPEHKFSTWGJ-UHFFFAOYSA-N 1 2 247.323 1.811 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000351739700 356077287 /nfs/dbraw/zinc/07/72/87/356077287.db2.gz UEJMFHTZNVLWCO-QWRGUYRKSA-N 1 2 243.310 1.997 20 0 BDADLO CC(C)CN1CC[N@H+](CC[C@@H](C)F)CC1=O ZINC000351824693 356091521 /nfs/dbraw/zinc/09/15/21/356091521.db2.gz SCPZRWFCRPKYSO-LLVKDONJSA-N 1 2 230.327 1.535 20 0 BDADLO CC(C)CN1CC[N@@H+](CC[C@@H](C)F)CC1=O ZINC000351824693 356091522 /nfs/dbraw/zinc/09/15/22/356091522.db2.gz SCPZRWFCRPKYSO-LLVKDONJSA-N 1 2 230.327 1.535 20 0 BDADLO CN1c2ccccc2C[N@H+](CCCF)CC1=O ZINC000623260050 356096245 /nfs/dbraw/zinc/09/62/45/356096245.db2.gz SNTXRVXPKZKGCR-UHFFFAOYSA-N 1 2 236.290 1.825 20 0 BDADLO CN1c2ccccc2C[N@@H+](CCCF)CC1=O ZINC000623260050 356096247 /nfs/dbraw/zinc/09/62/47/356096247.db2.gz SNTXRVXPKZKGCR-UHFFFAOYSA-N 1 2 236.290 1.825 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H]2CCc3ncnn32)no1 ZINC000639450723 356235658 /nfs/dbraw/zinc/23/56/58/356235658.db2.gz YHUZZNDHNDSWGG-NSHDSACASA-N 1 2 247.302 1.194 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H]2CCc3ncnn32)no1 ZINC000639450723 356235659 /nfs/dbraw/zinc/23/56/59/356235659.db2.gz YHUZZNDHNDSWGG-NSHDSACASA-N 1 2 247.302 1.194 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000617635511 356223913 /nfs/dbraw/zinc/22/39/13/356223913.db2.gz QZJKYDJBROBJPL-VXGBXAGGSA-N 1 2 249.358 1.998 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC12CCCC2 ZINC000623264528 356236069 /nfs/dbraw/zinc/23/60/69/356236069.db2.gz NLUPMUNLOMYSBP-CMPLNLGQSA-N 1 2 245.326 1.504 20 0 BDADLO CC1(C)C(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1(C)C ZINC000623264121 356229528 /nfs/dbraw/zinc/22/95/28/356229528.db2.gz GMOQFBDTUUJKCS-VIFPVBQESA-N 1 2 247.342 1.606 20 0 BDADLO CCc1cc(N[C@H](C)C[C@@H](C)O)nc[nH+]1 ZINC000136368684 491088567 /nfs/dbraw/zinc/08/85/67/491088567.db2.gz OJMFGDJVTQSAFO-RKDXNWHRSA-N 1 2 209.293 1.610 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(NC(C)=O)CC1 ZINC000639466713 356252342 /nfs/dbraw/zinc/25/23/42/356252342.db2.gz MWTVHMLPQRALFP-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000639466544 356252698 /nfs/dbraw/zinc/25/26/98/356252698.db2.gz WXSYFPDOKCGVHP-UHFFFAOYSA-N 1 2 248.317 1.974 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000617641647 356254007 /nfs/dbraw/zinc/25/40/07/356254007.db2.gz RCRWDCRHJFFHBH-NWDGAFQWSA-N 1 2 249.358 1.998 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000336119149 134089446 /nfs/dbraw/zinc/08/94/46/134089446.db2.gz FMQPUVTUPCJESJ-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000336119149 134089447 /nfs/dbraw/zinc/08/94/47/134089447.db2.gz FMQPUVTUPCJESJ-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO COCC[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639457999 356243874 /nfs/dbraw/zinc/24/38/74/356243874.db2.gz QEJRZNMRLPCIIX-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO COCC[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639457999 356243877 /nfs/dbraw/zinc/24/38/77/356243877.db2.gz QEJRZNMRLPCIIX-UHFFFAOYSA-N 1 2 225.292 1.100 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1cc[nH]c(=O)c1 ZINC000639496296 356323488 /nfs/dbraw/zinc/32/34/88/356323488.db2.gz UTUOIEOEZSFXPS-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1cc[nH]c(=O)c1 ZINC000639496296 356323491 /nfs/dbraw/zinc/32/34/91/356323491.db2.gz UTUOIEOEZSFXPS-UHFFFAOYSA-N 1 2 219.244 1.407 20 0 BDADLO O=C(CC1=CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267496 356325920 /nfs/dbraw/zinc/32/59/20/356325920.db2.gz TTZOFGLMSKBZOK-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C2CCC2)[C@@H](C)CO1 ZINC000617742748 356305251 /nfs/dbraw/zinc/30/52/51/356305251.db2.gz AEKOINGNPNHXBR-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C2CCC2)[C@@H](C)CO1 ZINC000617742748 356305256 /nfs/dbraw/zinc/30/52/56/356305256.db2.gz AEKOINGNPNHXBR-WDEREUQCSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C)[C@@H](C)CO1 ZINC000617741327 356307243 /nfs/dbraw/zinc/30/72/43/356307243.db2.gz LOUZHOVNTBVRPW-WDEREUQCSA-N 1 2 242.363 1.258 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C)[C@@H](C)CO1 ZINC000617741327 356307244 /nfs/dbraw/zinc/30/72/44/356307244.db2.gz LOUZHOVNTBVRPW-WDEREUQCSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1cc(C)c(CN2CCN(C)C(=O)C2)c(C)[nH+]1 ZINC000639494128 356317764 /nfs/dbraw/zinc/31/77/64/356317764.db2.gz JLOSTSAZZVERRI-UHFFFAOYSA-N 1 2 247.342 1.281 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCN(C)C(=O)C2)c(C)n1 ZINC000639494128 356317765 /nfs/dbraw/zinc/31/77/65/356317765.db2.gz JLOSTSAZZVERRI-UHFFFAOYSA-N 1 2 247.342 1.281 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCN(C)C(=O)C2)c(C)n1 ZINC000639494128 356317766 /nfs/dbraw/zinc/31/77/66/356317766.db2.gz JLOSTSAZZVERRI-UHFFFAOYSA-N 1 2 247.342 1.281 20 0 BDADLO CC(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000639515179 356356651 /nfs/dbraw/zinc/35/66/51/356356651.db2.gz JCHZGPSMONUOHO-UHFFFAOYSA-N 1 2 224.329 1.459 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCSC[C@H]1CCO ZINC000639516680 356357456 /nfs/dbraw/zinc/35/74/56/356357456.db2.gz LKTXXCSQVBBYGZ-SECBINFHSA-N 1 2 239.331 1.832 20 0 BDADLO CCC(F)(F)C[N@H+]1CCSC[C@H]1CCO ZINC000639516680 356357457 /nfs/dbraw/zinc/35/74/57/356357457.db2.gz LKTXXCSQVBBYGZ-SECBINFHSA-N 1 2 239.331 1.832 20 0 BDADLO C[C@H]1COCCC[N@@H+]1CC(=O)Nc1ccccn1 ZINC000639543272 356400110 /nfs/dbraw/zinc/40/01/10/356400110.db2.gz DYYHQUIQLRBICW-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[C@H]1COCCC[N@H+]1CC(=O)Nc1ccccn1 ZINC000639543272 356400116 /nfs/dbraw/zinc/40/01/16/356400116.db2.gz DYYHQUIQLRBICW-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000371526792 181272416 /nfs/dbraw/zinc/27/24/16/181272416.db2.gz TUWHJJNWOSCTDA-LLVKDONJSA-N 1 2 241.294 1.598 20 0 BDADLO CCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623276415 356417134 /nfs/dbraw/zinc/41/71/34/356417134.db2.gz APUGLSVCHIXXBZ-JTQLQIEISA-N 1 2 221.304 1.504 20 0 BDADLO Cn1cc[nH+]c1[C@@H](Nc1cccnn1)C1CC1 ZINC000580359378 356432327 /nfs/dbraw/zinc/43/23/27/356432327.db2.gz WYKOHTVFXUMIHX-NSHDSACASA-N 1 2 229.287 1.195 20 0 BDADLO Cc1[nH]c(CN(C)Cc2ncc[nH]2)[nH+]c1C ZINC000639550885 356432392 /nfs/dbraw/zinc/43/23/92/356432392.db2.gz DHIHXVJFBRDEMJ-UHFFFAOYSA-N 1 2 219.292 1.382 20 0 BDADLO CC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000639543839 356403014 /nfs/dbraw/zinc/40/30/14/356403014.db2.gz AVDRQEJFAIJDDH-LLVKDONJSA-N 1 2 221.304 1.318 20 0 BDADLO CC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000639543839 356403017 /nfs/dbraw/zinc/40/30/17/356403017.db2.gz AVDRQEJFAIJDDH-LLVKDONJSA-N 1 2 221.304 1.318 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000639545502 356406273 /nfs/dbraw/zinc/40/62/73/356406273.db2.gz XBBKFSFSXYBPPN-UHFFFAOYSA-N 1 2 249.236 1.460 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000639545502 356406280 /nfs/dbraw/zinc/40/62/80/356406280.db2.gz XBBKFSFSXYBPPN-UHFFFAOYSA-N 1 2 249.236 1.460 20 0 BDADLO O=C(CC1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623282019 356464555 /nfs/dbraw/zinc/46/45/55/356464555.db2.gz KGJCXLJLYXLGRP-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccoc3)no2)C1 ZINC000420491687 192245458 /nfs/dbraw/zinc/24/54/58/192245458.db2.gz HCRRFNHGHDYFEI-SNVBAGLBSA-N 1 2 249.270 1.723 20 0 BDADLO CC[N@H+]1CCO[C@@H](c2nc(-c3ccoc3)no2)C1 ZINC000420491687 192245461 /nfs/dbraw/zinc/24/54/61/192245461.db2.gz HCRRFNHGHDYFEI-SNVBAGLBSA-N 1 2 249.270 1.723 20 0 BDADLO OC1(CCCNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000420640688 192253688 /nfs/dbraw/zinc/25/36/88/192253688.db2.gz RIIAKKLLZKTDFQ-UHFFFAOYSA-N 1 2 247.342 1.883 20 0 BDADLO CCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420775858 192263034 /nfs/dbraw/zinc/26/30/34/192263034.db2.gz UUVMYGWHCWFRIF-UHFFFAOYSA-N 1 2 221.304 1.908 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)CC2(CO)CC2)n1 ZINC000420923910 192271265 /nfs/dbraw/zinc/27/12/65/192271265.db2.gz RDHOGBRXLYZMKC-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)CC2(CO)CC2)n1 ZINC000420923910 192271268 /nfs/dbraw/zinc/27/12/68/192271268.db2.gz RDHOGBRXLYZMKC-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO CCN(CC)c1ccc(Nc2cnccn2)c[nH+]1 ZINC000613517280 363469938 /nfs/dbraw/zinc/46/99/38/363469938.db2.gz ALOSYCTTZLBMKG-UHFFFAOYSA-N 1 2 243.314 1.883 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000639614361 356532199 /nfs/dbraw/zinc/53/21/99/356532199.db2.gz BJSXKYHFZVDRFP-SNVBAGLBSA-N 1 2 232.274 1.244 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000639614361 356532202 /nfs/dbraw/zinc/53/22/02/356532202.db2.gz BJSXKYHFZVDRFP-SNVBAGLBSA-N 1 2 232.274 1.244 20 0 BDADLO CC[C@H]1C[NH+](Cc2ccnn2C)C[C@H](CC)O1 ZINC000420964261 192284082 /nfs/dbraw/zinc/28/40/82/192284082.db2.gz WMTKRBUNUMAVRZ-STQMWFEESA-N 1 2 237.347 1.810 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000639597067 356516404 /nfs/dbraw/zinc/51/64/04/356516404.db2.gz BHFNHAAXKNELKK-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000639597067 356516407 /nfs/dbraw/zinc/51/64/07/356516407.db2.gz BHFNHAAXKNELKK-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO Cn1c[nH+]cc1Cc1nc(-c2cncs2)no1 ZINC000350442537 366278656 /nfs/dbraw/zinc/27/86/56/366278656.db2.gz ABWUWVZGAUFVIO-UHFFFAOYSA-N 1 2 247.283 1.517 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420976658 192288495 /nfs/dbraw/zinc/28/84/95/192288495.db2.gz RBQXLCKMOZOZDW-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420976658 192288497 /nfs/dbraw/zinc/28/84/97/192288497.db2.gz RBQXLCKMOZOZDW-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CC1(CNc2cc(NC3CC3)nc[nH+]2)COC1 ZINC000578119178 366276255 /nfs/dbraw/zinc/27/62/55/366276255.db2.gz RLPACPCGKJBGMY-UHFFFAOYSA-N 1 2 234.303 1.499 20 0 BDADLO CC1(CNc2cc(NC3CC3)[nH+]cn2)COC1 ZINC000578119178 366276260 /nfs/dbraw/zinc/27/62/60/366276260.db2.gz RLPACPCGKJBGMY-UHFFFAOYSA-N 1 2 234.303 1.499 20 0 BDADLO CCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296454 356541930 /nfs/dbraw/zinc/54/19/30/356541930.db2.gz JJUOQJMXTFRIAC-JTQLQIEISA-N 1 2 221.304 1.504 20 0 BDADLO CO[C@H](C(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000350461471 366280482 /nfs/dbraw/zinc/28/04/82/366280482.db2.gz WAOWFSYXAMTGMK-NSHDSACASA-N 1 2 239.319 1.050 20 0 BDADLO O=C(CCCF)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623296990 356548117 /nfs/dbraw/zinc/54/81/17/356548117.db2.gz VKPQRMLNEAWMGQ-SECBINFHSA-N 1 2 225.267 1.064 20 0 BDADLO CC[C@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000421089249 192312617 /nfs/dbraw/zinc/31/26/17/192312617.db2.gz SKGKCNVNJZRESU-VIFPVBQESA-N 1 2 221.304 1.980 20 0 BDADLO COCC[N@H+](CC(C)=O)Cc1ccccn1 ZINC000639648064 356554631 /nfs/dbraw/zinc/55/46/31/356554631.db2.gz QVWNGMQFCFEPFP-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO COCC[N@@H+](CC(C)=O)Cc1ccccn1 ZINC000639648064 356554634 /nfs/dbraw/zinc/55/46/34/356554634.db2.gz QVWNGMQFCFEPFP-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@]12C[C@@H]1CCC2 ZINC000623298519 356555500 /nfs/dbraw/zinc/55/55/00/356555500.db2.gz CNFAYOMTIMLLBG-WDMOLILDSA-N 1 2 245.326 1.504 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421023796 192305826 /nfs/dbraw/zinc/30/58/26/192305826.db2.gz RKFPDIQPQWTTAZ-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO Cn1cccc1C(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421023796 192305828 /nfs/dbraw/zinc/30/58/28/192305828.db2.gz RKFPDIQPQWTTAZ-CYBMUJFWSA-N 1 2 234.299 1.073 20 0 BDADLO C[C@@H]1COCC[C@@H]1c1noc(C[NH+](C)C)n1 ZINC000350587268 366303314 /nfs/dbraw/zinc/30/33/14/366303314.db2.gz FTSSAWZMYQWOSR-BDAKNGLRSA-N 1 2 225.292 1.271 20 0 BDADLO CC[C@@H](O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000421119780 192311872 /nfs/dbraw/zinc/31/18/72/192311872.db2.gz LMWAZWXXSHGCNJ-SNVBAGLBSA-N 1 2 248.286 1.227 20 0 BDADLO O[C@@H]1COCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000336212154 134135125 /nfs/dbraw/zinc/13/51/25/134135125.db2.gz CNIHYCZRGZZUPJ-QMMMGPOBSA-N 1 2 231.679 1.126 20 0 BDADLO O[C@@H]1COCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000336212154 134135126 /nfs/dbraw/zinc/13/51/26/134135126.db2.gz CNIHYCZRGZZUPJ-QMMMGPOBSA-N 1 2 231.679 1.126 20 0 BDADLO O=C(CCCC1CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623300742 356570732 /nfs/dbraw/zinc/57/07/32/356570732.db2.gz ZDFOJJPDCCNHKO-GFCCVEGCSA-N 1 2 247.342 1.894 20 0 BDADLO CCC(F)(F)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000639655319 356563121 /nfs/dbraw/zinc/56/31/21/356563121.db2.gz NDCMBXLWIMPHLA-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CCC(F)(F)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000639655319 356563124 /nfs/dbraw/zinc/56/31/24/356563124.db2.gz NDCMBXLWIMPHLA-SECBINFHSA-N 1 2 234.290 1.584 20 0 BDADLO CCc1cccc(C(=O)NCc2[nH]c[nH+]c2C)n1 ZINC000450024608 202068461 /nfs/dbraw/zinc/06/84/61/202068461.db2.gz HQPAKCXSKYGLKK-UHFFFAOYSA-N 1 2 244.298 1.606 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000639667142 356574825 /nfs/dbraw/zinc/57/48/25/356574825.db2.gz RAAZOHYOMBBOOE-SNVBAGLBSA-N 1 2 237.290 1.363 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@](CO)(COC)C1 ZINC000639667142 356574830 /nfs/dbraw/zinc/57/48/30/356574830.db2.gz RAAZOHYOMBBOOE-SNVBAGLBSA-N 1 2 237.290 1.363 20 0 BDADLO CC(F)(F)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302233 356582010 /nfs/dbraw/zinc/58/20/10/356582010.db2.gz BQJDSGQBJMGBRH-MRVPVSSYSA-N 1 2 243.257 1.359 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccccn2)[C@@H](C)C(=O)N1C ZINC000639688826 356597697 /nfs/dbraw/zinc/59/76/97/356597697.db2.gz SLTCJAFOWFOFMM-WOPDTQHZSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccn2)[C@@H](C)C(=O)N1C ZINC000639688826 356597699 /nfs/dbraw/zinc/59/76/99/356597699.db2.gz SLTCJAFOWFOFMM-WOPDTQHZSA-N 1 2 247.342 1.521 20 0 BDADLO CN(Cc1c[nH+]cn1C)c1ccccc1CO ZINC000639686022 356601582 /nfs/dbraw/zinc/60/15/82/356601582.db2.gz IHSQLFMFEAAXBI-UHFFFAOYSA-N 1 2 231.299 1.549 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]cc1C1CC1 ZINC000639718000 356617924 /nfs/dbraw/zinc/61/79/24/356617924.db2.gz PDIFKEQLMIFQNX-UHFFFAOYSA-N 1 2 244.298 1.887 20 0 BDADLO CC(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000639720499 356618628 /nfs/dbraw/zinc/61/86/28/356618628.db2.gz WTYWHFLBHCYSCD-UHFFFAOYSA-N 1 2 239.212 1.942 20 0 BDADLO CC[C@H](NC(=O)CCc1ccon1)c1[nH]cc[nH+]1 ZINC000613579636 363523181 /nfs/dbraw/zinc/52/31/81/363523181.db2.gz RODJQSYBEYMOTI-JTQLQIEISA-N 1 2 248.286 1.598 20 0 BDADLO C[N@H+](Cc1cn(CC2CC2)nn1)C1CC1 ZINC000450260921 202110537 /nfs/dbraw/zinc/11/05/37/202110537.db2.gz FSQNZMNLFSYUDN-UHFFFAOYSA-N 1 2 206.293 1.282 20 0 BDADLO C[N@@H+](Cc1cn(CC2CC2)nn1)C1CC1 ZINC000450260921 202110538 /nfs/dbraw/zinc/11/05/38/202110538.db2.gz FSQNZMNLFSYUDN-UHFFFAOYSA-N 1 2 206.293 1.282 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@H]1CCCO1 ZINC000450271493 202116455 /nfs/dbraw/zinc/11/64/55/202116455.db2.gz QQCSASHDVDSAFM-RKDXNWHRSA-N 1 2 227.333 1.710 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@H]1CCCO1 ZINC000450271493 202116457 /nfs/dbraw/zinc/11/64/57/202116457.db2.gz QQCSASHDVDSAFM-RKDXNWHRSA-N 1 2 227.333 1.710 20 0 BDADLO Cc1occc1C[N@@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000450291232 202120958 /nfs/dbraw/zinc/12/09/58/202120958.db2.gz YBJICSGJFBGMPR-SECBINFHSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1occc1C[N@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000450291232 202120960 /nfs/dbraw/zinc/12/09/60/202120960.db2.gz YBJICSGJFBGMPR-SECBINFHSA-N 1 2 245.344 1.453 20 0 BDADLO C[C@H]1C[C@@H](c2noc(C[NH+](C)C)n2)CCO1 ZINC000350649760 366316233 /nfs/dbraw/zinc/31/62/33/366316233.db2.gz HQTRWNLTHBWXJF-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO CCC(=O)CCC[N@@H+](CC)CC(=O)OC ZINC000450348753 202138582 /nfs/dbraw/zinc/13/85/82/202138582.db2.gz MUPHTYABQJWLDZ-UHFFFAOYSA-N 1 2 215.293 1.241 20 0 BDADLO CCC(=O)CCC[N@H+](CC)CC(=O)OC ZINC000450348753 202138585 /nfs/dbraw/zinc/13/85/85/202138585.db2.gz MUPHTYABQJWLDZ-UHFFFAOYSA-N 1 2 215.293 1.241 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)C(C)(F)F ZINC000389484038 356691295 /nfs/dbraw/zinc/69/12/95/356691295.db2.gz ZGFQDDLFWAAZRR-ZCFIWIBFSA-N 1 2 248.298 1.980 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn(C)c1)C(C)(F)F ZINC000389473139 356681579 /nfs/dbraw/zinc/68/15/79/356681579.db2.gz UWVJIKDYVOLEMG-SSDOTTSWSA-N 1 2 203.236 1.553 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@@H](C)C1 ZINC000054172320 363563478 /nfs/dbraw/zinc/56/34/78/363563478.db2.gz LSKLOFDFHPKNQG-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@@H](C)C1 ZINC000054172320 363563483 /nfs/dbraw/zinc/56/34/83/363563483.db2.gz LSKLOFDFHPKNQG-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CC(C)=CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000041590562 535342118 /nfs/dbraw/zinc/34/21/18/535342118.db2.gz JHBAPSIXXWUOFC-UHFFFAOYSA-N 1 2 245.326 1.696 20 0 BDADLO Cn1cnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639778239 356723509 /nfs/dbraw/zinc/72/35/09/356723509.db2.gz QZBDIIVTSVMBNM-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639778239 356723512 /nfs/dbraw/zinc/72/35/12/356723512.db2.gz QZBDIIVTSVMBNM-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO CCc1nc(C[N@H+](C)CCCOC(C)C)no1 ZINC000354203547 356731981 /nfs/dbraw/zinc/73/19/81/356731981.db2.gz CAPZEHRFWXHMKK-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCc1nc(C[N@@H+](C)CCCOC(C)C)no1 ZINC000354203547 356731983 /nfs/dbraw/zinc/73/19/83/356731983.db2.gz CAPZEHRFWXHMKK-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000639786363 356740231 /nfs/dbraw/zinc/74/02/31/356740231.db2.gz AERCLHSLCFLYEF-VIFPVBQESA-N 1 2 241.360 1.490 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000639786363 356740235 /nfs/dbraw/zinc/74/02/35/356740235.db2.gz AERCLHSLCFLYEF-VIFPVBQESA-N 1 2 241.360 1.490 20 0 BDADLO CC(C)(C)c1noc(COCc2[nH]cc[nH+]2)n1 ZINC000180033364 366358986 /nfs/dbraw/zinc/35/89/86/366358986.db2.gz RHBNSOFZIZKBCN-UHFFFAOYSA-N 1 2 236.275 1.807 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000088572143 356743619 /nfs/dbraw/zinc/74/36/19/356743619.db2.gz BZCWNNNEVZOJAN-UHFFFAOYSA-N 1 2 238.241 1.383 20 0 BDADLO CCc1nnc(C[NH+]2CCC(O)(CC)CC2)[nH]1 ZINC000354783176 356743914 /nfs/dbraw/zinc/74/39/14/356743914.db2.gz CRNPGPXWQZMFTJ-UHFFFAOYSA-N 1 2 238.335 1.104 20 0 BDADLO CC[C@@H]1CCC[C@H]([NH2+][C@H](COC)C(=O)OC)C1 ZINC000355053369 356748446 /nfs/dbraw/zinc/74/84/46/356748446.db2.gz OSVPAHLHUIAVPB-GRYCIOLGSA-N 1 2 243.347 1.733 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cnc(C2CC2)o1 ZINC000639797801 356757009 /nfs/dbraw/zinc/75/70/09/356757009.db2.gz PFTPXKWYKQRIBH-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cnc(C2CC2)o1 ZINC000639797801 356757013 /nfs/dbraw/zinc/75/70/13/356757013.db2.gz PFTPXKWYKQRIBH-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO Cc1ncc(CNc2cc(C)[nH+]cn2)o1 ZINC000398012871 538642113 /nfs/dbraw/zinc/64/21/13/538642113.db2.gz NQZWMHLUHKEPIT-UHFFFAOYSA-N 1 2 204.233 1.115 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CC(C)(C)CO2)o1 ZINC000639801116 356764669 /nfs/dbraw/zinc/76/46/69/356764669.db2.gz PDDBYXFMUAWLIK-SNVBAGLBSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CC(C)(C)CO2)o1 ZINC000639801116 356764671 /nfs/dbraw/zinc/76/46/71/356764671.db2.gz PDDBYXFMUAWLIK-SNVBAGLBSA-N 1 2 239.319 1.625 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000639812964 356791561 /nfs/dbraw/zinc/79/15/61/356791561.db2.gz DFPYVLOKWKIRMI-ZJUUUORDSA-N 1 2 246.301 1.632 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000639812964 356791564 /nfs/dbraw/zinc/79/15/64/356791564.db2.gz DFPYVLOKWKIRMI-ZJUUUORDSA-N 1 2 246.301 1.632 20 0 BDADLO CO[C@H]1C[N@H+](CCCc2ccsc2)CCO1 ZINC000639835726 356826199 /nfs/dbraw/zinc/82/61/99/356826199.db2.gz DKLUBYBYTDAAER-GFCCVEGCSA-N 1 2 241.356 1.985 20 0 BDADLO CO[C@H]1C[N@@H+](CCCc2ccsc2)CCO1 ZINC000639835726 356826202 /nfs/dbraw/zinc/82/62/02/356826202.db2.gz DKLUBYBYTDAAER-GFCCVEGCSA-N 1 2 241.356 1.985 20 0 BDADLO CO[C@H]1C[N@H+](CCOCC2CCC2)CCO1 ZINC000639838013 356828723 /nfs/dbraw/zinc/82/87/23/356828723.db2.gz TYRRBCUVSHENPY-GFCCVEGCSA-N 1 2 229.320 1.108 20 0 BDADLO CO[C@H]1C[N@@H+](CCOCC2CCC2)CCO1 ZINC000639838013 356828726 /nfs/dbraw/zinc/82/87/26/356828726.db2.gz TYRRBCUVSHENPY-GFCCVEGCSA-N 1 2 229.320 1.108 20 0 BDADLO CO[C@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639837237 356829516 /nfs/dbraw/zinc/82/95/16/356829516.db2.gz QDNAEBWXGFFJKY-WDEREUQCSA-N 1 2 229.320 1.106 20 0 BDADLO CO[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639837237 356829518 /nfs/dbraw/zinc/82/95/18/356829518.db2.gz QDNAEBWXGFFJKY-WDEREUQCSA-N 1 2 229.320 1.106 20 0 BDADLO CCC1(CC)CC[N@H+](Cc2cn[nH]n2)C1 ZINC000450484909 202182966 /nfs/dbraw/zinc/18/29/66/202182966.db2.gz MKMURCKSFQKLRV-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CCC1(CC)CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000450484909 202182968 /nfs/dbraw/zinc/18/29/68/202182968.db2.gz MKMURCKSFQKLRV-UHFFFAOYSA-N 1 2 208.309 1.817 20 0 BDADLO CC[N@H+](Cc1nnnn1C)Cc1ccccc1C ZINC000356026263 356784771 /nfs/dbraw/zinc/78/47/71/356784771.db2.gz VXDZSCXNYASDNP-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1nnnn1C)Cc1ccccc1C ZINC000356026263 356784775 /nfs/dbraw/zinc/78/47/75/356784775.db2.gz VXDZSCXNYASDNP-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(F)F ZINC000450566634 202198489 /nfs/dbraw/zinc/19/84/89/202198489.db2.gz MJDNPDAACMSLNJ-SSDOTTSWSA-N 1 2 241.245 1.819 20 0 BDADLO CCc1nc(C[N@H+](C(C)C)[C@@H]2CCOC2)no1 ZINC000361405169 356929152 /nfs/dbraw/zinc/92/91/52/356929152.db2.gz WTVUSVJZTOVDLS-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CCc1nc(C[N@@H+](C(C)C)[C@@H]2CCOC2)no1 ZINC000361405169 356929157 /nfs/dbraw/zinc/92/91/57/356929157.db2.gz WTVUSVJZTOVDLS-SNVBAGLBSA-N 1 2 239.319 1.631 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000361484468 356930057 /nfs/dbraw/zinc/93/00/57/356930057.db2.gz JKVXKKLPBUAZQQ-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCC1 ZINC000361484468 356930061 /nfs/dbraw/zinc/93/00/61/356930061.db2.gz JKVXKKLPBUAZQQ-UHFFFAOYSA-N 1 2 210.281 1.132 20 0 BDADLO CCc1nc(C[N@H+](CC)C[C@@H](C)OC)no1 ZINC000361574121 356933464 /nfs/dbraw/zinc/93/34/64/356933464.db2.gz SGMROXIKYJDZPT-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nc(C[N@@H+](CC)C[C@@H](C)OC)no1 ZINC000361574121 356933468 /nfs/dbraw/zinc/93/34/68/356933468.db2.gz SGMROXIKYJDZPT-SECBINFHSA-N 1 2 227.308 1.489 20 0 BDADLO CC[C@@H](CO)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000450576286 202203226 /nfs/dbraw/zinc/20/32/26/202203226.db2.gz BVRPDTKSSKACPU-JTQLQIEISA-N 1 2 223.320 1.807 20 0 BDADLO Cc1cc(N[C@H]2CCS[C@H]2C)c(C#N)c[nH+]1 ZINC000399576582 356981128 /nfs/dbraw/zinc/98/11/28/356981128.db2.gz KKBXUTUOFMLZKT-ONGXEEELSA-N 1 2 233.340 1.990 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2ncc[nH]2)c(=O)[nH]1 ZINC000353672361 538754549 /nfs/dbraw/zinc/75/45/49/538754549.db2.gz QKEMCRKAFOEKPD-SSDOTTSWSA-N 1 2 233.275 1.065 20 0 BDADLO COC[C@@]1(C)CCN(c2cc(C)[nH+]cn2)C1 ZINC000450601136 202209266 /nfs/dbraw/zinc/20/92/66/202209266.db2.gz AKHCAQZDQCWPKB-LBPRGKRZSA-N 1 2 221.304 1.648 20 0 BDADLO CC(C)c1nc(NCC2=CCOCC2)cc[nH+]1 ZINC000450620473 202212318 /nfs/dbraw/zinc/21/23/18/202212318.db2.gz KUGDDWPFDOJMTM-UHFFFAOYSA-N 1 2 233.315 1.781 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000353770291 538768062 /nfs/dbraw/zinc/76/80/62/538768062.db2.gz UBJHUMSWPSSIEL-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000353770291 538768069 /nfs/dbraw/zinc/76/80/69/538768069.db2.gz UBJHUMSWPSSIEL-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO C/C=C/CNC(=O)Nc1cc[nH+]cc1C ZINC000626468398 357005603 /nfs/dbraw/zinc/00/56/03/357005603.db2.gz CKRIVFKIBGSRIC-ONEGZZNKSA-N 1 2 205.261 1.510 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000389637013 357009068 /nfs/dbraw/zinc/00/90/68/357009068.db2.gz OPDJPHBHUDQVBZ-OPRDCNLKSA-N 1 2 215.293 1.095 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCc1c[nH+]cn1C ZINC000355255825 538791100 /nfs/dbraw/zinc/79/11/00/538791100.db2.gz QNONIGLLDVXGGQ-IUCAKERBSA-N 1 2 207.277 1.082 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OC(C)C ZINC000389892000 357060116 /nfs/dbraw/zinc/06/01/16/357060116.db2.gz AIBRHTSVHZCEBU-UHFFFAOYSA-N 1 2 208.261 1.997 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccsc1 ZINC000061800414 538782478 /nfs/dbraw/zinc/78/24/78/538782478.db2.gz SWAGLNYUTMAVFN-UHFFFAOYSA-N 1 2 238.356 1.802 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccsc1 ZINC000061800414 538782485 /nfs/dbraw/zinc/78/24/85/538782485.db2.gz SWAGLNYUTMAVFN-UHFFFAOYSA-N 1 2 238.356 1.802 20 0 BDADLO CC1(C)C[N@H+](Cc2ncccn2)CC[C@H]1O ZINC000303872755 357151097 /nfs/dbraw/zinc/15/10/97/357151097.db2.gz QEFDJJHCZPIMMP-SNVBAGLBSA-N 1 2 221.304 1.069 20 0 BDADLO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@H]1O ZINC000303872755 357151099 /nfs/dbraw/zinc/15/10/99/357151099.db2.gz QEFDJJHCZPIMMP-SNVBAGLBSA-N 1 2 221.304 1.069 20 0 BDADLO CCc1nnc(CNc2[nH+]cccc2OC)[nH]1 ZINC000392528179 357155687 /nfs/dbraw/zinc/15/56/87/357155687.db2.gz NCLUQGWRQADGRN-UHFFFAOYSA-N 1 2 233.275 1.383 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2cc[nH]n2)cc1O ZINC000582390069 357123333 /nfs/dbraw/zinc/12/33/33/357123333.db2.gz QFTVJMITWUEKKC-VIFPVBQESA-N 1 2 247.298 1.975 20 0 BDADLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccco1 ZINC000041392467 357128951 /nfs/dbraw/zinc/12/89/51/357128951.db2.gz BTGGJRWJOWOJLC-UHFFFAOYSA-N 1 2 224.304 1.626 20 0 BDADLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccco1 ZINC000041392467 357128954 /nfs/dbraw/zinc/12/89/54/357128954.db2.gz BTGGJRWJOWOJLC-UHFFFAOYSA-N 1 2 224.304 1.626 20 0 BDADLO CO[C@@H]1CCN(c2nc(C)[nH+]cc2C)C[C@@H]1C ZINC000583703867 357283588 /nfs/dbraw/zinc/28/35/88/357283588.db2.gz MOOSYHBHGVCASH-CMPLNLGQSA-N 1 2 235.331 1.955 20 0 BDADLO CCn1nncc1C[NH2+][C@H](C)c1cscn1 ZINC000583705057 357284395 /nfs/dbraw/zinc/28/43/95/357284395.db2.gz ZPVBMCKCIFHLMK-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO CCn1nncc1C[NH2+][C@@H](C)c1cscn1 ZINC000583705058 357284647 /nfs/dbraw/zinc/28/46/47/357284647.db2.gz ZPVBMCKCIFHLMK-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO Cc1cc(NC(=O)NCC(C)(C)F)cc[nH+]1 ZINC000639900632 357285358 /nfs/dbraw/zinc/28/53/58/357285358.db2.gz OIUCYFJXHNSNKG-UHFFFAOYSA-N 1 2 225.267 1.682 20 0 BDADLO OC[C@@H]1C[C@H]1Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631260931 357244741 /nfs/dbraw/zinc/24/47/41/357244741.db2.gz SMLOBEJILSKBFT-WCBMZHEXSA-N 1 2 244.298 1.050 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000359580957 134196016 /nfs/dbraw/zinc/19/60/16/134196016.db2.gz MFSCKJXZQWQYFR-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000359580957 134196017 /nfs/dbraw/zinc/19/60/17/134196017.db2.gz MFSCKJXZQWQYFR-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO CCn1cc[nH+]c1CN1CC2(C1)CCCO2 ZINC000628427384 357257124 /nfs/dbraw/zinc/25/71/24/357257124.db2.gz YNSXOZCSVFMSKX-UHFFFAOYSA-N 1 2 221.304 1.268 20 0 BDADLO Oc1cccc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000628426972 357257830 /nfs/dbraw/zinc/25/78/30/357257830.db2.gz XUKMNZDLKQTMPO-UHFFFAOYSA-N 1 2 219.284 1.757 20 0 BDADLO CCN(CCOC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582730907 357374274 /nfs/dbraw/zinc/37/42/74/357374274.db2.gz OEWIBSBZRHIYTH-LLVKDONJSA-N 1 2 239.319 1.329 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](CO)C(C)C ZINC000394042443 357316716 /nfs/dbraw/zinc/31/67/16/357316716.db2.gz KYLIVWVSQYKCMJ-SNVBAGLBSA-N 1 2 224.304 1.767 20 0 BDADLO Cn1ccc(CNCc2c[nH+]c3n2CCCC3)n1 ZINC000584366035 357329064 /nfs/dbraw/zinc/32/90/64/357329064.db2.gz XFRSJYCPNCSZSX-UHFFFAOYSA-N 1 2 245.330 1.243 20 0 BDADLO CC(C)n1nccc1C[NH2+]Cc1ccno1 ZINC000394579975 357367063 /nfs/dbraw/zinc/36/70/63/357367063.db2.gz YKGJXFJPCYLLNP-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO CC[N@H+](CC(=O)NC(C)C)Cc1ccoc1 ZINC000102409009 357389078 /nfs/dbraw/zinc/38/90/78/357389078.db2.gz SEISSIPLKKWVAE-UHFFFAOYSA-N 1 2 224.304 1.626 20 0 BDADLO CC[N@@H+](CC(=O)NC(C)C)Cc1ccoc1 ZINC000102409009 357389080 /nfs/dbraw/zinc/38/90/80/357389080.db2.gz SEISSIPLKKWVAE-UHFFFAOYSA-N 1 2 224.304 1.626 20 0 BDADLO COCc1ncc2c(n1)CC[N@@H+](CC(F)F)C2 ZINC000639913082 357503940 /nfs/dbraw/zinc/50/39/40/357503940.db2.gz ZQELHFFROKZJNN-UHFFFAOYSA-N 1 2 243.257 1.246 20 0 BDADLO COCc1ncc2c(n1)CC[N@H+](CC(F)F)C2 ZINC000639913082 357503945 /nfs/dbraw/zinc/50/39/45/357503945.db2.gz ZQELHFFROKZJNN-UHFFFAOYSA-N 1 2 243.257 1.246 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ocnc1C1CC1 ZINC000583136161 357488794 /nfs/dbraw/zinc/48/87/94/357488794.db2.gz JEQGXWPFYRVNJK-UHFFFAOYSA-N 1 2 232.243 1.205 20 0 BDADLO COCC[C@@H](C)[N@H+](C)Cc1noc(C)n1 ZINC000359518898 538854299 /nfs/dbraw/zinc/85/42/99/538854299.db2.gz CPAGOCUJZSSJSM-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO COCC[C@@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC000359518898 538854304 /nfs/dbraw/zinc/85/43/04/538854304.db2.gz CPAGOCUJZSSJSM-MRVPVSSYSA-N 1 2 213.281 1.235 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131812475 325185574 /nfs/dbraw/zinc/18/55/74/325185574.db2.gz ZRJISSGJNPGBMN-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@@H](CCC)C1 ZINC000131812475 325185575 /nfs/dbraw/zinc/18/55/75/325185575.db2.gz ZRJISSGJNPGBMN-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO C[C@H]1CC[C@H](C[NH+]2CCN(CC3CC3)CC2)O1 ZINC000188540887 357559607 /nfs/dbraw/zinc/55/96/07/357559607.db2.gz YXOQBNHXBXARLY-GXTWGEPZSA-N 1 2 238.375 1.582 20 0 BDADLO Cc1csc(C[N@@H+]2CCCNC(=O)[C@@H]2C)n1 ZINC000189077021 357603665 /nfs/dbraw/zinc/60/36/65/357603665.db2.gz VRGCKGGLRRERMD-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO Cc1csc(C[N@H+]2CCCNC(=O)[C@@H]2C)n1 ZINC000189077021 357603667 /nfs/dbraw/zinc/60/36/67/357603667.db2.gz VRGCKGGLRRERMD-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO CC(C)n1c[nH+]cc1CN(CCO)CC(F)F ZINC000231346377 357613624 /nfs/dbraw/zinc/61/36/24/357613624.db2.gz UQBMOTKPWXHKHV-UHFFFAOYSA-N 1 2 247.289 1.523 20 0 BDADLO CSCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000189540049 357644044 /nfs/dbraw/zinc/64/40/44/357644044.db2.gz WYBVPGXAPXLDNL-GFCCVEGCSA-N 1 2 240.372 1.761 20 0 BDADLO CSCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000189540049 357644049 /nfs/dbraw/zinc/64/40/49/357644049.db2.gz WYBVPGXAPXLDNL-GFCCVEGCSA-N 1 2 240.372 1.761 20 0 BDADLO CSC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000189602828 357649824 /nfs/dbraw/zinc/64/98/24/357649824.db2.gz WNVCXTXFHOWPHI-UHFFFAOYSA-N 1 2 239.344 1.285 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000232588861 357672001 /nfs/dbraw/zinc/67/20/01/357672001.db2.gz UMMHZIJRLWHOJZ-JQWIXIFHSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@H](O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000189847546 357674262 /nfs/dbraw/zinc/67/42/62/357674262.db2.gz OZHYIXPYVGWITB-NSHDSACASA-N 1 2 240.372 1.247 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000016433520 538883880 /nfs/dbraw/zinc/88/38/80/538883880.db2.gz FHHOWPQLNIZHKH-ONGXEEELSA-N 1 2 236.315 1.581 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000016433520 538883882 /nfs/dbraw/zinc/88/38/82/538883882.db2.gz FHHOWPQLNIZHKH-ONGXEEELSA-N 1 2 236.315 1.581 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H]1CC[C@H](C)O1)C(=O)OC ZINC000190578846 357715758 /nfs/dbraw/zinc/71/57/58/357715758.db2.gz CNWCHMOVCREJPY-DMDPSCGWSA-N 1 2 243.347 1.875 20 0 BDADLO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CS1 ZINC000397872976 357776079 /nfs/dbraw/zinc/77/60/79/357776079.db2.gz UEVMQIJJLHFDGX-JGVFFNPUSA-N 1 2 249.343 1.669 20 0 BDADLO CC[C@H](NC(=O)c1cncn1C)c1[nH]cc[nH+]1 ZINC000234039036 357768067 /nfs/dbraw/zinc/76/80/67/357768067.db2.gz DJXFBNREQRTCHZ-QMMMGPOBSA-N 1 2 233.275 1.024 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1CCOCC(C)C ZINC000234529926 357812238 /nfs/dbraw/zinc/81/22/38/357812238.db2.gz FTORXXGHFMSELM-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1CCOCC(C)C ZINC000234529926 357812241 /nfs/dbraw/zinc/81/22/41/357812241.db2.gz FTORXXGHFMSELM-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000191989652 357819490 /nfs/dbraw/zinc/81/94/90/357819490.db2.gz FXNYEKFNFFBKPK-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000191989652 357819494 /nfs/dbraw/zinc/81/94/94/357819494.db2.gz FXNYEKFNFFBKPK-SNVBAGLBSA-N 1 2 207.277 1.087 20 0 BDADLO CC1(C)C[N@H+]([C@H]2CCNC2=O)[C@@H]1c1ccco1 ZINC000639926414 357850843 /nfs/dbraw/zinc/85/08/43/357850843.db2.gz MPKDDOSANFNCKD-GXSJLCMTSA-N 1 2 234.299 1.551 20 0 BDADLO CCC(C)(C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000192224093 357834372 /nfs/dbraw/zinc/83/43/72/357834372.db2.gz FYGXBTARCUZEQA-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO c1cc2c(cc1C[NH+]1CCOCC1)OCCO2 ZINC000064431031 357845294 /nfs/dbraw/zinc/84/52/94/357845294.db2.gz IAZBPVOBUJIMIA-UHFFFAOYSA-N 1 2 235.283 1.290 20 0 BDADLO CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@@H]1c1ccco1 ZINC000639926414 357850842 /nfs/dbraw/zinc/85/08/42/357850842.db2.gz MPKDDOSANFNCKD-GXSJLCMTSA-N 1 2 234.299 1.551 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000193457451 357927976 /nfs/dbraw/zinc/92/79/76/357927976.db2.gz QIPJQKWSJQBPQZ-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ncccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000193457451 357927978 /nfs/dbraw/zinc/92/79/78/357927978.db2.gz QIPJQKWSJQBPQZ-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO C[C@@H]1C[C@H](C)N1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000525922902 259474939 /nfs/dbraw/zinc/47/49/39/259474939.db2.gz YVQBBILMLCDPTE-OUAUKWLOSA-N 1 2 248.330 1.390 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)n1 ZINC000639936580 357941424 /nfs/dbraw/zinc/94/14/24/357941424.db2.gz ZKCLOKPVHUDOSF-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)n1 ZINC000639936580 357941426 /nfs/dbraw/zinc/94/14/26/357941426.db2.gz ZKCLOKPVHUDOSF-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCCO1)C(C)C ZINC000035151183 357971160 /nfs/dbraw/zinc/97/11/60/357971160.db2.gz QPAMRGWUOZGHQU-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO CCC(F)(F)C[NH2+][C@@](C)(CO)COC ZINC000639958839 357984061 /nfs/dbraw/zinc/98/40/61/357984061.db2.gz WKGRRPZRBIJRDS-QMMMGPOBSA-N 1 2 211.252 1.019 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000075721661 325307915 /nfs/dbraw/zinc/30/79/15/325307915.db2.gz CURQIRIMDDXHCM-SRVKXCTJSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000075721661 325307918 /nfs/dbraw/zinc/30/79/18/325307918.db2.gz CURQIRIMDDXHCM-SRVKXCTJSA-N 1 2 243.347 1.827 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccncc1F ZINC000639970647 358022547 /nfs/dbraw/zinc/02/25/47/358022547.db2.gz HPDPFEGDSXDKRZ-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccncc1F ZINC000639970647 358022550 /nfs/dbraw/zinc/02/25/50/358022550.db2.gz HPDPFEGDSXDKRZ-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000168804845 134246752 /nfs/dbraw/zinc/24/67/52/134246752.db2.gz DITYOIVULNOBNR-GRYCIOLGSA-N 1 2 241.331 1.581 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000168804845 134246753 /nfs/dbraw/zinc/24/67/53/134246753.db2.gz DITYOIVULNOBNR-GRYCIOLGSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@]2(C)CO)no1 ZINC000546809828 325313063 /nfs/dbraw/zinc/31/30/63/325313063.db2.gz HTFLRTXXWUQGDP-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@]2(C)CO)no1 ZINC000546809828 325313065 /nfs/dbraw/zinc/31/30/65/325313065.db2.gz HTFLRTXXWUQGDP-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1cc(N[C@@H]2CCN(C)C2=O)nc(C(C)C)[nH+]1 ZINC000217504722 134249118 /nfs/dbraw/zinc/24/91/18/134249118.db2.gz NGQJKTFXUOXUEV-SNVBAGLBSA-N 1 2 248.330 1.551 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000628459125 358093699 /nfs/dbraw/zinc/09/36/99/358093699.db2.gz LNIYBWFYPZEPSO-LLVKDONJSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000628459125 358093700 /nfs/dbraw/zinc/09/37/00/358093700.db2.gz LNIYBWFYPZEPSO-LLVKDONJSA-N 1 2 239.294 1.345 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1ccc[nH]1 ZINC000584711767 358158613 /nfs/dbraw/zinc/15/86/13/358158613.db2.gz QOXWWDPEQRAWSS-UHFFFAOYSA-N 1 2 216.288 1.498 20 0 BDADLO CCn1cc[nH+]c1CNc1ccnc(C(C)C)n1 ZINC000450679862 202232672 /nfs/dbraw/zinc/23/26/72/202232672.db2.gz KDYZBUWIVJBEKA-UHFFFAOYSA-N 1 2 245.330 1.850 20 0 BDADLO CCn1ccnc1CNc1cc[nH+]c(C(C)C)n1 ZINC000450679862 202232674 /nfs/dbraw/zinc/23/26/74/202232674.db2.gz KDYZBUWIVJBEKA-UHFFFAOYSA-N 1 2 245.330 1.850 20 0 BDADLO CC(C)c1nc(N2CCC[C@H](O)[C@@H]2C)cc[nH+]1 ZINC000450709131 202242163 /nfs/dbraw/zinc/24/21/63/202242163.db2.gz AVIKMGXXDMXSFX-QWRGUYRKSA-N 1 2 235.331 1.950 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000450713243 202243025 /nfs/dbraw/zinc/24/30/25/202243025.db2.gz WPRUKBUFPFEPIL-UPJWGTAASA-N 1 2 247.342 1.915 20 0 BDADLO C[C@@H](NCc1[nH]cc[nH+]1)c1cscn1 ZINC000229129096 358345747 /nfs/dbraw/zinc/34/57/47/358345747.db2.gz JAWCVNPJVHOLRL-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccno2)cs1 ZINC000230973033 358413799 /nfs/dbraw/zinc/41/37/99/358413799.db2.gz LTDZINQHEPWVQK-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO CCn1c[nH+]cc1CN[C@@H](C)C(F)(F)F ZINC000389315044 358421563 /nfs/dbraw/zinc/42/15/63/358421563.db2.gz PWLFSRIKYULIGU-ZETCQYMHSA-N 1 2 221.226 1.943 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCSCC ZINC000610998785 358424368 /nfs/dbraw/zinc/42/43/68/358424368.db2.gz VZEGZUBYEUZUOS-SNVBAGLBSA-N 1 2 249.376 1.249 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCSCC ZINC000610998785 358424371 /nfs/dbraw/zinc/42/43/71/358424371.db2.gz VZEGZUBYEUZUOS-SNVBAGLBSA-N 1 2 249.376 1.249 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000048584041 358641724 /nfs/dbraw/zinc/64/17/24/358641724.db2.gz UTKDSLHXZJIVRA-UHFFFAOYSA-N 1 2 237.255 1.020 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000048584041 358641725 /nfs/dbraw/zinc/64/17/25/358641725.db2.gz UTKDSLHXZJIVRA-UHFFFAOYSA-N 1 2 237.255 1.020 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000130895294 358651375 /nfs/dbraw/zinc/65/13/75/358651375.db2.gz UFZCVLHPAPDGBM-NEPJUHHUSA-N 1 2 235.331 1.826 20 0 BDADLO CCCC[N@H+](CCO)Cc1noc(C2CC2)n1 ZINC000048738989 358652142 /nfs/dbraw/zinc/65/21/42/358652142.db2.gz CGHSPVLDOGXSBF-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CCCC[N@@H+](CCO)Cc1noc(C2CC2)n1 ZINC000048738989 358652144 /nfs/dbraw/zinc/65/21/44/358652144.db2.gz CGHSPVLDOGXSBF-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000048922845 358661875 /nfs/dbraw/zinc/66/18/75/358661875.db2.gz QSXPFYFMFSDPRK-UHFFFAOYSA-N 1 2 230.271 1.301 20 0 BDADLO Cc1nc(NC(=O)NCCn2cc[nH+]c2)oc1C ZINC000049205406 358676209 /nfs/dbraw/zinc/67/62/09/358676209.db2.gz IJTBYNJMSBSGEW-UHFFFAOYSA-N 1 2 249.274 1.310 20 0 BDADLO COCCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000049304705 358681695 /nfs/dbraw/zinc/68/16/95/358681695.db2.gz CEZFUQIWUXZMHN-UHFFFAOYSA-N 1 2 237.303 1.513 20 0 BDADLO CCOC(=O)C[N@H+](CCc1ccccn1)C1CC1 ZINC000050063779 358711716 /nfs/dbraw/zinc/71/17/16/358711716.db2.gz NVDNHVQQVLYWQK-UHFFFAOYSA-N 1 2 248.326 1.652 20 0 BDADLO CCOC(=O)C[N@@H+](CCc1ccccn1)C1CC1 ZINC000050063779 358711717 /nfs/dbraw/zinc/71/17/17/358711717.db2.gz NVDNHVQQVLYWQK-UHFFFAOYSA-N 1 2 248.326 1.652 20 0 BDADLO CCOC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000050067553 358712912 /nfs/dbraw/zinc/71/29/12/358712912.db2.gz ALOURKYWPNHUDZ-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CCOC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000050067553 358712916 /nfs/dbraw/zinc/71/29/16/358712916.db2.gz ALOURKYWPNHUDZ-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000132398381 358721382 /nfs/dbraw/zinc/72/13/82/358721382.db2.gz SDFUFWCGKDBREC-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@H](C)C1 ZINC000054172156 358855147 /nfs/dbraw/zinc/85/51/47/358855147.db2.gz GBFVZSWIZADLAN-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@H](C)C1 ZINC000054172156 358855151 /nfs/dbraw/zinc/85/51/51/358855151.db2.gz GBFVZSWIZADLAN-MNOVXSKESA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1cccc(O)c1 ZINC000054860352 358877357 /nfs/dbraw/zinc/87/73/57/358877357.db2.gz SAAIXNQQKXKKSU-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO Cc1occc1C[N@@H+](C)CC(=O)N(C)C(C)C ZINC000055058040 358880533 /nfs/dbraw/zinc/88/05/33/358880533.db2.gz SVRXAGCGUBWFPZ-UHFFFAOYSA-N 1 2 238.331 1.887 20 0 BDADLO Cc1occc1C[N@H+](C)CC(=O)N(C)C(C)C ZINC000055058040 358880534 /nfs/dbraw/zinc/88/05/34/358880534.db2.gz SVRXAGCGUBWFPZ-UHFFFAOYSA-N 1 2 238.331 1.887 20 0 BDADLO COC(C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)OC ZINC000136743961 358886133 /nfs/dbraw/zinc/88/61/33/358886133.db2.gz YBLFBLYERIYKOT-SNVBAGLBSA-N 1 2 239.319 1.208 20 0 BDADLO C[C@H](CC(=O)N1CC[C@H]1C(F)F)n1cc[nH+]c1 ZINC000633238433 358969953 /nfs/dbraw/zinc/96/99/53/358969953.db2.gz IBSCTOYIZZSRIX-BDAKNGLRSA-N 1 2 243.257 1.700 20 0 BDADLO CC[C@@H](NC(=O)c1cnccn1)c1[nH]cc[nH+]1 ZINC000140701804 358925111 /nfs/dbraw/zinc/92/51/11/358925111.db2.gz ROWMKKRTLOGQMQ-MRVPVSSYSA-N 1 2 231.259 1.081 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000140747761 358925945 /nfs/dbraw/zinc/92/59/45/358925945.db2.gz ZRSATRLNLJOMFD-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000140747761 358925948 /nfs/dbraw/zinc/92/59/48/358925948.db2.gz ZRSATRLNLJOMFD-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO COC(=O)c1cccc(OCCn2cc[nH+]c2)c1 ZINC000060803876 358928925 /nfs/dbraw/zinc/92/89/25/358928925.db2.gz KZZSAURCUDBBRM-UHFFFAOYSA-N 1 2 246.266 1.749 20 0 BDADLO CC(C)=CC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000069867767 359035236 /nfs/dbraw/zinc/03/52/36/359035236.db2.gz STELLFRRAQYXGU-JTQLQIEISA-N 1 2 219.350 1.318 20 0 BDADLO CC(C)=CC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000069867767 359035242 /nfs/dbraw/zinc/03/52/42/359035242.db2.gz STELLFRRAQYXGU-JTQLQIEISA-N 1 2 219.350 1.318 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]1C(F)F ZINC000633241983 358995645 /nfs/dbraw/zinc/99/56/45/358995645.db2.gz XISREFVVCMWWOG-ZETCQYMHSA-N 1 2 229.230 1.208 20 0 BDADLO CCOc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070989920 359068635 /nfs/dbraw/zinc/06/86/35/359068635.db2.gz WQQGXMSLFJLQLV-UHFFFAOYSA-N 1 2 245.282 1.738 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000073845910 359107371 /nfs/dbraw/zinc/10/73/71/359107371.db2.gz CYIQMJZHSOCQEM-UHFFFAOYSA-N 1 2 239.706 1.123 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000070812800 359064306 /nfs/dbraw/zinc/06/43/06/359064306.db2.gz IZVFSPAHDDNEGV-KKZNHRDASA-N 1 2 248.282 1.596 20 0 BDADLO C[C@H]([NH2+][C@H]1CCOC1=O)[C@@H]1COc2ccccc21 ZINC000247053524 359191887 /nfs/dbraw/zinc/19/18/87/359191887.db2.gz VHIBKXPZAAVWBA-DLOVCJGASA-N 1 2 247.294 1.456 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CC=C(C)C ZINC000246880058 359172381 /nfs/dbraw/zinc/17/23/81/359172381.db2.gz FXDFRPVDZKFIPL-MNOVXSKESA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CC=C(C)C ZINC000246880058 359172385 /nfs/dbraw/zinc/17/23/85/359172385.db2.gz FXDFRPVDZKFIPL-MNOVXSKESA-N 1 2 227.304 1.215 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832726 359225735 /nfs/dbraw/zinc/22/57/35/359225735.db2.gz QYMGOSLADWQSBY-NSHDSACASA-N 1 2 239.315 1.337 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832726 359225743 /nfs/dbraw/zinc/22/57/43/359225743.db2.gz QYMGOSLADWQSBY-NSHDSACASA-N 1 2 239.315 1.337 20 0 BDADLO Cc1nc(NC[C@@H](C)c2ccccc2)nc(N)[nH+]1 ZINC000380653942 359208019 /nfs/dbraw/zinc/20/80/19/359208019.db2.gz DXBBSKYBCXCKGS-SECBINFHSA-N 1 2 243.314 1.230 20 0 BDADLO Cc1nc(N)nc(NC[C@@H](C)c2ccccc2)[nH+]1 ZINC000380653942 359208025 /nfs/dbraw/zinc/20/80/25/359208025.db2.gz DXBBSKYBCXCKGS-SECBINFHSA-N 1 2 243.314 1.230 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611502707 359378630 /nfs/dbraw/zinc/37/86/30/359378630.db2.gz XDSWUAJHOJQRFE-LPEHRKFASA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611502707 359378632 /nfs/dbraw/zinc/37/86/32/359378632.db2.gz XDSWUAJHOJQRFE-LPEHRKFASA-N 1 2 217.284 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611669111 359414017 /nfs/dbraw/zinc/41/40/17/359414017.db2.gz YVGQQJCNDMRRFS-LSJOCFKGSA-N 1 2 229.295 1.618 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611669111 359414022 /nfs/dbraw/zinc/41/40/22/359414022.db2.gz YVGQQJCNDMRRFS-LSJOCFKGSA-N 1 2 229.295 1.618 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000611896096 359476234 /nfs/dbraw/zinc/47/62/34/359476234.db2.gz DLUDUGUBKVQBQG-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO CCC1(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000611896096 359476236 /nfs/dbraw/zinc/47/62/36/359476236.db2.gz DLUDUGUBKVQBQG-JTQLQIEISA-N 1 2 247.342 1.964 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc[nH]1 ZINC000580447197 359562000 /nfs/dbraw/zinc/56/20/00/359562000.db2.gz BAELFAFPNUVAQH-JTQLQIEISA-N 1 2 246.314 1.275 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc[nH]1 ZINC000580447197 359562006 /nfs/dbraw/zinc/56/20/06/359562006.db2.gz BAELFAFPNUVAQH-JTQLQIEISA-N 1 2 246.314 1.275 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000191363215 359563863 /nfs/dbraw/zinc/56/38/63/359563863.db2.gz ZHHHCUGOYVNNSU-GHMZBOCLSA-N 1 2 243.347 1.733 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCSC2)C1 ZINC000580447987 359563931 /nfs/dbraw/zinc/56/39/31/359563931.db2.gz XOKXVOQQAUAIRB-SNVBAGLBSA-N 1 2 242.388 1.340 20 0 BDADLO CC(C)[C@@H](CO)[NH2+]Cc1nnsc1Cl ZINC000379658902 359575638 /nfs/dbraw/zinc/57/56/38/359575638.db2.gz OACRRRFXSMOSOH-SSDOTTSWSA-N 1 2 235.740 1.298 20 0 BDADLO CCc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1C ZINC000612121437 359669737 /nfs/dbraw/zinc/66/97/37/359669737.db2.gz CXZOBLZXDXBCFB-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC2(CO)CC2)[nH+]1 ZINC000450819353 202275031 /nfs/dbraw/zinc/27/50/31/202275031.db2.gz FEEVAFCWWRBEDA-UHFFFAOYSA-N 1 2 246.314 1.263 20 0 BDADLO Cc1cc(N2CC(C)(CO)C2)nc(C(C)C)[nH+]1 ZINC000450797273 202267624 /nfs/dbraw/zinc/26/76/24/202267624.db2.gz QJRBKLDIMYQKON-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO Cc1ncc(C[NH2+]C(C)(C)C(F)F)cn1 ZINC000309069925 491144007 /nfs/dbraw/zinc/14/40/07/491144007.db2.gz AZFRXUNKHYVQHO-UHFFFAOYSA-N 1 2 215.247 1.918 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000403328682 359729783 /nfs/dbraw/zinc/72/97/83/359729783.db2.gz AEBCCGHOLXRDFM-YIZRAAEISA-N 1 2 207.277 1.693 20 0 BDADLO CNC(=O)C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000450850145 202288122 /nfs/dbraw/zinc/28/81/22/202288122.db2.gz UVVZNCHJJYBDMF-SECBINFHSA-N 1 2 248.330 1.021 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000612385301 359819593 /nfs/dbraw/zinc/81/95/93/359819593.db2.gz JSZOMUQHDIRFHM-MRVPVSSYSA-N 1 2 245.286 1.185 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000612385301 359819594 /nfs/dbraw/zinc/81/95/94/359819594.db2.gz JSZOMUQHDIRFHM-MRVPVSSYSA-N 1 2 245.286 1.185 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCC(C)(F)F ZINC000450918774 202311343 /nfs/dbraw/zinc/31/13/43/202311343.db2.gz WMLQZHYRSJUGKX-SSDOTTSWSA-N 1 2 209.236 1.525 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCC(C)(F)F ZINC000450918774 202311346 /nfs/dbraw/zinc/31/13/46/202311346.db2.gz WMLQZHYRSJUGKX-SSDOTTSWSA-N 1 2 209.236 1.525 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1csnn1 ZINC000450991636 202329371 /nfs/dbraw/zinc/32/93/71/202329371.db2.gz NEBTYVYYVDTTOK-SFYZADRCSA-N 1 2 215.322 1.566 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450991636 202329372 /nfs/dbraw/zinc/32/93/72/202329372.db2.gz NEBTYVYYVDTTOK-SFYZADRCSA-N 1 2 215.322 1.566 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1CC12CC2 ZINC000578500831 366581757 /nfs/dbraw/zinc/58/17/57/366581757.db2.gz HOCASFPMGWBZPO-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000451075581 202349684 /nfs/dbraw/zinc/34/96/84/202349684.db2.gz WYUZLARDOHNZCW-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000451075581 202349688 /nfs/dbraw/zinc/34/96/88/202349688.db2.gz WYUZLARDOHNZCW-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000451075581 202349691 /nfs/dbraw/zinc/34/96/91/202349691.db2.gz WYUZLARDOHNZCW-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000451075581 202349694 /nfs/dbraw/zinc/34/96/94/202349694.db2.gz WYUZLARDOHNZCW-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000451075581 202349696 /nfs/dbraw/zinc/34/96/96/202349696.db2.gz WYUZLARDOHNZCW-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000451075581 202349699 /nfs/dbraw/zinc/34/96/99/202349699.db2.gz WYUZLARDOHNZCW-LBPRGKRZSA-N 1 2 238.335 1.035 20 0 BDADLO Cc1ccoc1C[N@@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000451058319 202340317 /nfs/dbraw/zinc/34/03/17/202340317.db2.gz VEOPMKDZPQEONV-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccoc1C[N@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000451058319 202340320 /nfs/dbraw/zinc/34/03/20/202340320.db2.gz VEOPMKDZPQEONV-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C1CC1)C1COC1 ZINC000451127723 202361598 /nfs/dbraw/zinc/36/15/98/202361598.db2.gz VDYNVCANWWWYLI-UHFFFAOYSA-N 1 2 236.315 1.697 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C1CC1)C1COC1 ZINC000451127723 202361600 /nfs/dbraw/zinc/36/16/00/202361600.db2.gz VDYNVCANWWWYLI-UHFFFAOYSA-N 1 2 236.315 1.697 20 0 BDADLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451183861 202372542 /nfs/dbraw/zinc/37/25/42/202372542.db2.gz JJTDDFZKFWBHDF-NEPJUHHUSA-N 1 2 244.354 1.923 20 0 BDADLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451183861 202372545 /nfs/dbraw/zinc/37/25/45/202372545.db2.gz JJTDDFZKFWBHDF-NEPJUHHUSA-N 1 2 244.354 1.923 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)NCc1ccccc1 ZINC000451189345 202374109 /nfs/dbraw/zinc/37/41/09/202374109.db2.gz PFOLQMNAXHSTDK-LBPRGKRZSA-N 1 2 236.290 1.347 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)NCc1ccccc1 ZINC000451189345 202374113 /nfs/dbraw/zinc/37/41/13/202374113.db2.gz PFOLQMNAXHSTDK-LBPRGKRZSA-N 1 2 236.290 1.347 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000451194192 202374412 /nfs/dbraw/zinc/37/44/12/202374412.db2.gz VTFAZWLESFPLQO-VIFPVBQESA-N 1 2 216.300 1.335 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](F)C1 ZINC000451194192 202374416 /nfs/dbraw/zinc/37/44/16/202374416.db2.gz VTFAZWLESFPLQO-VIFPVBQESA-N 1 2 216.300 1.335 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451193738 202374524 /nfs/dbraw/zinc/37/45/24/202374524.db2.gz VCLDKRTUJVWKRF-MNOVXSKESA-N 1 2 230.327 1.725 20 0 BDADLO CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451193738 202374528 /nfs/dbraw/zinc/37/45/28/202374528.db2.gz VCLDKRTUJVWKRF-MNOVXSKESA-N 1 2 230.327 1.725 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451194191 202375457 /nfs/dbraw/zinc/37/54/57/202375457.db2.gz VTFAZWLESFPLQO-SECBINFHSA-N 1 2 216.300 1.335 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451194191 202375459 /nfs/dbraw/zinc/37/54/59/202375459.db2.gz VTFAZWLESFPLQO-SECBINFHSA-N 1 2 216.300 1.335 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451194629 202377092 /nfs/dbraw/zinc/37/70/92/202377092.db2.gz WGPNEAMHNHJRMD-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451194629 202377096 /nfs/dbraw/zinc/37/70/96/202377096.db2.gz WGPNEAMHNHJRMD-QWRGUYRKSA-N 1 2 230.327 1.581 20 0 BDADLO C[N@H+](Cc1nc(C2CC2)no1)CC(C)(C)CO ZINC000451248262 202386321 /nfs/dbraw/zinc/38/63/21/202386321.db2.gz TYWRSZGIRSMOAU-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO C[N@@H+](Cc1nc(C2CC2)no1)CC(C)(C)CO ZINC000451248262 202386325 /nfs/dbraw/zinc/38/63/25/202386325.db2.gz TYWRSZGIRSMOAU-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO CC[N@H+](Cc1ccnc(OC)c1)C1COC1 ZINC000451283317 202394217 /nfs/dbraw/zinc/39/42/17/202394217.db2.gz FWNYLEBVTDHAQH-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)CS1 ZINC000578641875 366616757 /nfs/dbraw/zinc/61/67/57/366616757.db2.gz NRTXJIHFLLPJML-NXEZZACHSA-N 1 2 242.388 1.338 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCOC1 ZINC000087788188 359929791 /nfs/dbraw/zinc/92/97/91/359929791.db2.gz VWATXRYBAQPUIF-VIFPVBQESA-N 1 2 217.272 1.774 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC(C)(C)C1CC1 ZINC000578560708 366598510 /nfs/dbraw/zinc/59/85/10/366598510.db2.gz KFTXSWXIPPRMCS-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO NC(=O)c1csc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000578899241 366671430 /nfs/dbraw/zinc/67/14/30/366671430.db2.gz PICZOSGBUYSWAT-SECBINFHSA-N 1 2 242.319 1.781 20 0 BDADLO NC(=O)c1csc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000578899241 366671433 /nfs/dbraw/zinc/67/14/33/366671433.db2.gz PICZOSGBUYSWAT-SECBINFHSA-N 1 2 242.319 1.781 20 0 BDADLO Cc1ccc(F)c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088750981 359975128 /nfs/dbraw/zinc/97/51/28/359975128.db2.gz ZJUFIBQEYIFRDU-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1ccc(F)c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088750981 359975132 /nfs/dbraw/zinc/97/51/32/359975132.db2.gz ZJUFIBQEYIFRDU-UHFFFAOYSA-N 1 2 233.246 1.787 20 0 BDADLO Cc1ccc(C)c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088753171 359975529 /nfs/dbraw/zinc/97/55/29/359975529.db2.gz MHKOCMIQQKDWOH-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1ccc(C)c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088753171 359975530 /nfs/dbraw/zinc/97/55/30/359975530.db2.gz MHKOCMIQQKDWOH-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO O=C(Cc1ccccc1F)NCc1c[nH+]c[nH]1 ZINC000088753328 359976163 /nfs/dbraw/zinc/97/61/63/359976163.db2.gz CINYABPGVOHVEG-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO O=C(Cc1ccccc1F)NCc1c[nH]c[nH+]1 ZINC000088753328 359976167 /nfs/dbraw/zinc/97/61/67/359976167.db2.gz CINYABPGVOHVEG-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccc2c(c1)COC2 ZINC000088759229 359977320 /nfs/dbraw/zinc/97/73/20/359977320.db2.gz BHNCKJUMQIZKFD-UHFFFAOYSA-N 1 2 243.266 1.370 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccc2c(c1)COC2 ZINC000088759229 359977323 /nfs/dbraw/zinc/97/73/23/359977323.db2.gz BHNCKJUMQIZKFD-UHFFFAOYSA-N 1 2 243.266 1.370 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612744614 360044802 /nfs/dbraw/zinc/04/48/02/360044802.db2.gz BYDPGINWYBTAEH-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO CN(CCC1CC1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612744614 360044806 /nfs/dbraw/zinc/04/48/06/360044806.db2.gz BYDPGINWYBTAEH-LLVKDONJSA-N 1 2 247.342 1.773 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@@H]1C(=O)OC ZINC000090235863 360066926 /nfs/dbraw/zinc/06/69/26/360066926.db2.gz IAXKLPZSXWLRSD-LLVKDONJSA-N 1 2 237.303 1.040 20 0 BDADLO CC(C)n1ncnc1C[NH2+]CC(C)(C)F ZINC000631188282 360081901 /nfs/dbraw/zinc/08/19/01/360081901.db2.gz AASPRBDYZOPSID-UHFFFAOYSA-N 1 2 214.288 1.697 20 0 BDADLO c1coc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091926862 360136385 /nfs/dbraw/zinc/13/63/85/360136385.db2.gz WJWVYEMJTYRBKM-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO c1coc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091926862 360136388 /nfs/dbraw/zinc/13/63/88/360136388.db2.gz WJWVYEMJTYRBKM-STQMWFEESA-N 1 2 237.299 1.659 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CCC1 ZINC000612971570 360227749 /nfs/dbraw/zinc/22/77/49/360227749.db2.gz VNZDCBBUUDLDOQ-NXEZZACHSA-N 1 2 233.315 1.582 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000093645316 360265852 /nfs/dbraw/zinc/26/58/52/360265852.db2.gz YMPVSTPZIWFINT-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1cc(C[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000093645316 360265858 /nfs/dbraw/zinc/26/58/58/360265858.db2.gz YMPVSTPZIWFINT-CYBMUJFWSA-N 1 2 235.331 1.514 20 0 BDADLO Cc1cc(NC(=O)c2cncc(O)c2)cc[nH+]1 ZINC000096481389 360349154 /nfs/dbraw/zinc/34/91/54/360349154.db2.gz YUJCCFFYXQXDBA-UHFFFAOYSA-N 1 2 229.239 1.743 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096643015 360350905 /nfs/dbraw/zinc/35/09/05/360350905.db2.gz HXXKTHGOSGLEKW-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO O=C(NCc1ccco1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096641918 360351366 /nfs/dbraw/zinc/35/13/66/360351366.db2.gz QNISHDNAXCPIOL-SNVBAGLBSA-N 1 2 245.282 1.355 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCOCC(F)F)o1 ZINC000309405635 491148740 /nfs/dbraw/zinc/14/87/40/491148740.db2.gz HXLZZACNGFTOQU-LURJTMIESA-N 1 2 235.234 1.310 20 0 BDADLO CC(C)(F)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000633722908 360388201 /nfs/dbraw/zinc/38/82/01/360388201.db2.gz ZFRKBOJSWWEYQG-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO CC(C)(F)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000633722908 360388205 /nfs/dbraw/zinc/38/82/05/360388205.db2.gz ZFRKBOJSWWEYQG-UHFFFAOYSA-N 1 2 213.256 1.207 20 0 BDADLO Cc1ccccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628925058 360757952 /nfs/dbraw/zinc/75/79/52/360757952.db2.gz DXGNTODUMGVCAO-LBPRGKRZSA-N 1 2 248.326 1.055 20 0 BDADLO Cc1ccccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628925058 360757958 /nfs/dbraw/zinc/75/79/58/360757958.db2.gz DXGNTODUMGVCAO-LBPRGKRZSA-N 1 2 248.326 1.055 20 0 BDADLO C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000629031046 360806598 /nfs/dbraw/zinc/80/65/98/360806598.db2.gz LMNDEXIBGOZCCL-UMBAGQNISA-N 1 2 207.277 1.527 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@H]1C[C@H]1C ZINC000629359824 361005211 /nfs/dbraw/zinc/00/52/11/361005211.db2.gz CKOBCVWSFJVTOS-HTQZYQBOSA-N 1 2 217.276 1.524 20 0 BDADLO CCN(CCO)c1[nH+]c2ccc(F)cc2n1C ZINC000431038349 192902324 /nfs/dbraw/zinc/90/23/24/192902324.db2.gz SHMWSWWDTCVZHT-UHFFFAOYSA-N 1 2 237.278 1.531 20 0 BDADLO Cc1cnn(C)c1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000640349802 361073152 /nfs/dbraw/zinc/07/31/52/361073152.db2.gz ZZRKIVUSVGXHEO-UHFFFAOYSA-N 1 2 248.290 1.116 20 0 BDADLO C[C@H]1C[C@@H](N2C(=O)[C@H](C)N(C)C2=O)c2[nH+]ccn21 ZINC000629475901 361087621 /nfs/dbraw/zinc/08/76/21/361087621.db2.gz SNQCBKIJLVUWET-XHNCKOQMSA-N 1 2 248.286 1.171 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000041051826 361206767 /nfs/dbraw/zinc/20/67/67/361206767.db2.gz AYVBBEUCRYPYBG-VHSXEESVSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@H](CNC(=O)[C@]1(C)C[C@H]1F)Cn1cc[nH+]c1 ZINC000424693169 200952316 /nfs/dbraw/zinc/95/23/16/200952316.db2.gz XFKGYDGMJAYGOE-CKYFFXLPSA-N 1 2 239.294 1.384 20 0 BDADLO C[C@H]1CCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332982094 361275655 /nfs/dbraw/zinc/27/56/55/361275655.db2.gz PLBOZCXOSGMMFA-QWRGUYRKSA-N 1 2 248.330 1.392 20 0 BDADLO CCN(CC1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000578991777 366688807 /nfs/dbraw/zinc/68/88/07/366688807.db2.gz GGIQUZGMBNGJSU-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(F)(F)F ZINC000575001722 361289706 /nfs/dbraw/zinc/28/97/06/361289706.db2.gz LWKGECACWBRYNB-JGVFFNPUSA-N 1 2 238.253 1.394 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000640481883 361267385 /nfs/dbraw/zinc/26/73/85/361267385.db2.gz ZWHCEOKZNKNHEH-QMMMGPOBSA-N 1 2 246.270 1.450 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000640481883 361267390 /nfs/dbraw/zinc/26/73/90/361267390.db2.gz ZWHCEOKZNKNHEH-QMMMGPOBSA-N 1 2 246.270 1.450 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486530 361271702 /nfs/dbraw/zinc/27/17/02/361271702.db2.gz YLSCSVNOFGRJIP-ZYHUDNBSSA-N 1 2 221.304 1.031 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640486530 361271705 /nfs/dbraw/zinc/27/17/05/361271705.db2.gz YLSCSVNOFGRJIP-ZYHUDNBSSA-N 1 2 221.304 1.031 20 0 BDADLO Cc1nsc(C)c1C[N@@H+](C)C(C)(C)C(N)=O ZINC000579124933 366717780 /nfs/dbraw/zinc/71/77/80/366717780.db2.gz YLILZISAINYRBT-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1nsc(C)c1C[N@H+](C)C(C)(C)C(N)=O ZINC000579124933 366717789 /nfs/dbraw/zinc/71/77/89/366717789.db2.gz YLILZISAINYRBT-UHFFFAOYSA-N 1 2 241.360 1.456 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCC3)ncn1 ZINC000428376996 201012008 /nfs/dbraw/zinc/01/20/08/201012008.db2.gz WQNBHYVHSDYBKR-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCC3)ncn1 ZINC000428376996 201012010 /nfs/dbraw/zinc/01/20/10/201012010.db2.gz WQNBHYVHSDYBKR-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000579187525 366729072 /nfs/dbraw/zinc/72/90/72/366729072.db2.gz VIGAXNYFFFFWDQ-WPRPVWTQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nc(C2CC2)no1 ZINC000579187525 366729075 /nfs/dbraw/zinc/72/90/75/366729075.db2.gz VIGAXNYFFFFWDQ-WPRPVWTQSA-N 1 2 237.303 1.292 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)ncn1 ZINC000428435956 201015828 /nfs/dbraw/zinc/01/58/28/201015828.db2.gz BIZLQAFYUNNPSN-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)ncn1 ZINC000428435956 201015830 /nfs/dbraw/zinc/01/58/30/201015830.db2.gz BIZLQAFYUNNPSN-CYBMUJFWSA-N 1 2 248.330 1.015 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccco1 ZINC000428445080 201016950 /nfs/dbraw/zinc/01/69/50/201016950.db2.gz FCRXEZCSUVTCQF-LBPRGKRZSA-N 1 2 236.315 1.722 20 0 BDADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccco1 ZINC000428445080 201016952 /nfs/dbraw/zinc/01/69/52/201016952.db2.gz FCRXEZCSUVTCQF-LBPRGKRZSA-N 1 2 236.315 1.722 20 0 BDADLO Cc1nc(C(C)C)oc1C[NH2+]C1(C(N)=O)CC1 ZINC000428344293 201008983 /nfs/dbraw/zinc/00/89/83/201008983.db2.gz JAHZRZCYJKCGSW-UHFFFAOYSA-N 1 2 237.303 1.214 20 0 BDADLO OC[C@H](CC(F)F)Nc1cc[nH+]c(C2CC2)n1 ZINC000428673199 201035007 /nfs/dbraw/zinc/03/50/07/201035007.db2.gz FFLISUUNWLDSBB-QMMMGPOBSA-N 1 2 243.257 1.204 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1scnc1C ZINC000429119588 201068009 /nfs/dbraw/zinc/06/80/09/201068009.db2.gz XEQUNEYAQLGPFG-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1scnc1C ZINC000429119588 201068011 /nfs/dbraw/zinc/06/80/11/201068011.db2.gz XEQUNEYAQLGPFG-UHFFFAOYSA-N 1 2 227.333 1.149 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nncn1C(C)C ZINC000429270875 201086435 /nfs/dbraw/zinc/08/64/35/201086435.db2.gz HRXZRHYGICWRMH-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429270875 201086438 /nfs/dbraw/zinc/08/64/38/201086438.db2.gz HRXZRHYGICWRMH-SNVBAGLBSA-N 1 2 226.324 1.326 20 0 BDADLO CC(C)n1cnnc1CN(C)Cc1[nH+]ccn1C ZINC000429287288 201091299 /nfs/dbraw/zinc/09/12/99/201091299.db2.gz MFIPMWJGXGQWIL-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)[C@@H]1CCOC1 ZINC000429282629 201082135 /nfs/dbraw/zinc/08/21/35/201082135.db2.gz GBPDBKHEVXLWHC-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000429282629 201082139 /nfs/dbraw/zinc/08/21/39/201082139.db2.gz GBPDBKHEVXLWHC-SNVBAGLBSA-N 1 2 224.308 1.080 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000429268769 201085624 /nfs/dbraw/zinc/08/56/24/201085624.db2.gz AYUNDBSBWHRPHI-NSHDSACASA-N 1 2 208.309 1.843 20 0 BDADLO CC[C@H]1CC[N@H+]1Cc1cn(C(C)C)nn1 ZINC000429268769 201085626 /nfs/dbraw/zinc/08/56/26/201085626.db2.gz AYUNDBSBWHRPHI-NSHDSACASA-N 1 2 208.309 1.843 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000429364800 201104341 /nfs/dbraw/zinc/10/43/41/201104341.db2.gz UEQPUJXPCGBWJC-LLVKDONJSA-N 1 2 238.331 1.935 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000429364800 201104342 /nfs/dbraw/zinc/10/43/42/201104342.db2.gz UEQPUJXPCGBWJC-LLVKDONJSA-N 1 2 238.331 1.935 20 0 BDADLO CCn1nncc1CNc1c[nH+]ccc1C ZINC000579331190 366760717 /nfs/dbraw/zinc/76/07/17/366760717.db2.gz QZGPNJHKYFMVDN-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000429500047 201112491 /nfs/dbraw/zinc/11/24/91/201112491.db2.gz VBUGQINBKBXWAR-SRVKXCTJSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2OC)no1 ZINC000429537751 201112862 /nfs/dbraw/zinc/11/28/62/201112862.db2.gz NIZKWWASDUXJAS-NXEZZACHSA-N 1 2 239.319 1.679 20 0 BDADLO CC(C)n1cnnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000429290022 201097237 /nfs/dbraw/zinc/09/72/37/201097237.db2.gz COVXJTBQYLWIIE-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO CC(C)n1cnnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000429290022 201097241 /nfs/dbraw/zinc/09/72/41/201097241.db2.gz COVXJTBQYLWIIE-UHFFFAOYSA-N 1 2 234.307 1.214 20 0 BDADLO C[C@H](C[N@@H+]1CCc2n[nH]nc2C1)c1ccccc1 ZINC000429314391 201099292 /nfs/dbraw/zinc/09/92/92/201099292.db2.gz WDAPVRRVESDPEV-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO C[C@H](C[N@H+]1CCc2n[nH]nc2C1)c1ccccc1 ZINC000429314391 201099296 /nfs/dbraw/zinc/09/92/96/201099296.db2.gz WDAPVRRVESDPEV-LLVKDONJSA-N 1 2 242.326 1.967 20 0 BDADLO CCOC[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000429546795 201114773 /nfs/dbraw/zinc/11/47/73/201114773.db2.gz JAOSGCPPWGOABJ-JTQLQIEISA-N 1 2 237.303 1.358 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](CO)C2)no1 ZINC000429722437 201129087 /nfs/dbraw/zinc/12/90/87/201129087.db2.gz IKTGLYFEHCRAHP-WPRPVWTQSA-N 1 2 225.292 1.143 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](CO)C2)no1 ZINC000429722437 201129088 /nfs/dbraw/zinc/12/90/88/201129088.db2.gz IKTGLYFEHCRAHP-WPRPVWTQSA-N 1 2 225.292 1.143 20 0 BDADLO CCOC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000181497231 366815811 /nfs/dbraw/zinc/81/58/11/366815811.db2.gz DPHNKITWRQHZRX-GFCCVEGCSA-N 1 2 243.347 1.470 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cncn1C ZINC000433358380 201183409 /nfs/dbraw/zinc/18/34/09/201183409.db2.gz ANUCTMLPHWPOTN-UHFFFAOYSA-N 1 2 232.243 1.076 20 0 BDADLO CC[C@@H](C)[C@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433799034 201194267 /nfs/dbraw/zinc/19/42/67/201194267.db2.gz NNBDBNPJXYIYNB-LDYMZIIASA-N 1 2 248.330 1.507 20 0 BDADLO Cn1cc(-c2ccc(NCCCCO)[nH+]c2)cn1 ZINC000629690142 361625117 /nfs/dbraw/zinc/62/51/17/361625117.db2.gz GSVMLGIMJUQADR-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO COCCCNc1ccc(-c2cncnc2)c[nH+]1 ZINC000629713617 361653171 /nfs/dbraw/zinc/65/31/71/361653171.db2.gz JLRHGHOEJHEFPN-UHFFFAOYSA-N 1 2 244.298 1.409 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000448579096 201339702 /nfs/dbraw/zinc/33/97/02/201339702.db2.gz RMZZEUOUQIZAGP-ZYHUDNBSSA-N 1 2 243.310 1.997 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC000661411791 491162161 /nfs/dbraw/zinc/16/21/61/491162161.db2.gz AREMCROVBGRYTO-LMLFDSFASA-N 1 2 231.286 1.734 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC000661411791 491162162 /nfs/dbraw/zinc/16/21/62/491162162.db2.gz AREMCROVBGRYTO-LMLFDSFASA-N 1 2 231.286 1.734 20 0 BDADLO COc1cc(NCc2c[nH+]cn2C(C)C)[nH]n1 ZINC000623628559 363855518 /nfs/dbraw/zinc/85/55/18/363855518.db2.gz QZNNXCUUMUQUFN-UHFFFAOYSA-N 1 2 235.291 1.808 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)OC ZINC000622081916 370698241 /nfs/dbraw/zinc/69/82/41/370698241.db2.gz FQLRUARSOOBPNM-VIFPVBQESA-N 1 2 239.319 1.505 20 0 BDADLO CC[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000618954684 363941795 /nfs/dbraw/zinc/94/17/95/363941795.db2.gz ROJOLSCHKHJTCX-GFCCVEGCSA-N 1 2 221.304 1.578 20 0 BDADLO CC(C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630387847 364103235 /nfs/dbraw/zinc/10/32/35/364103235.db2.gz SWEVGPYSFKYEDV-UHFFFAOYSA-N 1 2 243.310 1.939 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCOC1 ZINC000622082417 370699992 /nfs/dbraw/zinc/69/99/92/370699992.db2.gz MROLZVOLVQVOFO-UWVGGRQHSA-N 1 2 237.303 1.117 20 0 BDADLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000622131982 370726925 /nfs/dbraw/zinc/72/69/25/370726925.db2.gz DZZIMYDSNFBJJO-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@H](C)c2[nH+]ccn2C)[nH]1 ZINC000622182003 370750989 /nfs/dbraw/zinc/75/09/89/370750989.db2.gz QNNATIWQKMQLOT-MRVPVSSYSA-N 1 2 247.302 1.251 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCCO1 ZINC000329358154 541348376 /nfs/dbraw/zinc/34/83/76/541348376.db2.gz WWVUCAMVPYVZMX-UHFFFAOYSA-N 1 2 223.276 1.286 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCCO1 ZINC000329358154 541348383 /nfs/dbraw/zinc/34/83/83/541348383.db2.gz WWVUCAMVPYVZMX-UHFFFAOYSA-N 1 2 223.276 1.286 20 0 BDADLO O=C1CCCN1C1CC[NH+](Cc2cocn2)CC1 ZINC000432748722 192954045 /nfs/dbraw/zinc/95/40/45/192954045.db2.gz UVVFQKXJQWGFPH-UHFFFAOYSA-N 1 2 249.314 1.261 20 0 BDADLO COC[C@]1(C)C[C@@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000630606485 364330271 /nfs/dbraw/zinc/33/02/71/364330271.db2.gz YQZAHWIGKOJAIE-RYUDHWBXSA-N 1 2 247.302 1.120 20 0 BDADLO CO[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000615039297 364407353 /nfs/dbraw/zinc/40/73/53/364407353.db2.gz IVZSAHUSNGQSKA-GFCCVEGCSA-N 1 2 249.314 1.040 20 0 BDADLO CCCCN(C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000630675777 364438202 /nfs/dbraw/zinc/43/82/02/364438202.db2.gz NKSWLMAPMVXLKP-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@@]1(C)C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000135684462 364447640 /nfs/dbraw/zinc/44/76/40/364447640.db2.gz LTGVAXLNPJAXED-ZDUSSCGKSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000135684462 364447645 /nfs/dbraw/zinc/44/76/45/364447645.db2.gz LTGVAXLNPJAXED-ZDUSSCGKSA-N 1 2 242.363 1.402 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1C)C1CC1 ZINC000134594506 541358448 /nfs/dbraw/zinc/35/84/48/541358448.db2.gz YLPMERQRBXMPPQ-QPUJVOFHSA-N 1 2 223.320 1.794 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ccccc2)C1 ZINC000552814480 325665725 /nfs/dbraw/zinc/66/57/25/325665725.db2.gz RJWUBMDLNIMMKZ-UHFFFAOYSA-N 1 2 218.300 1.967 20 0 BDADLO CCOC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000615158769 364552508 /nfs/dbraw/zinc/55/25/08/364552508.db2.gz VNAJFAGUXHTQDC-SECBINFHSA-N 1 2 237.303 1.546 20 0 BDADLO C[C@@H](NC(=O)C(C)(C)n1cccn1)c1[nH]cc[nH+]1 ZINC000615158933 364552853 /nfs/dbraw/zinc/55/28/53/364552853.db2.gz WNVBQJDFMUNXEM-SECBINFHSA-N 1 2 247.302 1.219 20 0 BDADLO COCc1noc([C@@H](C)[N@H+](C)CCSC)n1 ZINC000182024529 366860383 /nfs/dbraw/zinc/86/03/83/366860383.db2.gz UBASAYFUOFKZMR-MRVPVSSYSA-N 1 2 245.348 1.572 20 0 BDADLO COCc1noc([C@@H](C)[N@@H+](C)CCSC)n1 ZINC000182024529 366860386 /nfs/dbraw/zinc/86/03/86/366860386.db2.gz UBASAYFUOFKZMR-MRVPVSSYSA-N 1 2 245.348 1.572 20 0 BDADLO CC1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000622237679 370783442 /nfs/dbraw/zinc/78/34/42/370783442.db2.gz MFWGCONOHAJJSY-HTAVTVPLSA-N 1 2 247.342 1.608 20 0 BDADLO COc1cc(NCc2[nH+]ccn2C)cnc1OC ZINC000623632916 364679972 /nfs/dbraw/zinc/67/99/72/364679972.db2.gz VCKRPYNNSDJREE-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615354160 364711860 /nfs/dbraw/zinc/71/18/60/364711860.db2.gz MWWGYYOZCLBLKK-IVZWLZJFSA-N 1 2 239.294 1.388 20 0 BDADLO CCC(C)(C)OCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573338628 364805069 /nfs/dbraw/zinc/80/50/69/364805069.db2.gz TYJDBVCAJDRFIP-SECBINFHSA-N 1 2 239.319 1.792 20 0 BDADLO CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573264287 364790541 /nfs/dbraw/zinc/79/05/41/364790541.db2.gz ZCPJHECZYFNEIZ-SECBINFHSA-N 1 2 209.293 1.457 20 0 BDADLO CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573264287 364790544 /nfs/dbraw/zinc/79/05/44/364790544.db2.gz ZCPJHECZYFNEIZ-SECBINFHSA-N 1 2 209.293 1.457 20 0 BDADLO COCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000573495445 364846735 /nfs/dbraw/zinc/84/67/35/364846735.db2.gz NFDKWHWWOMIRGN-JTQLQIEISA-N 1 2 237.303 1.129 20 0 BDADLO CN(C(=O)C[NH+]1CC(C)(C)C1)c1cccnc1 ZINC000573577858 364867481 /nfs/dbraw/zinc/86/74/81/364867481.db2.gz XGRBQQQGQRQFCD-UHFFFAOYSA-N 1 2 233.315 1.386 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000574043477 364975551 /nfs/dbraw/zinc/97/55/51/364975551.db2.gz CYOHTBJOMUCDME-JFGNBEQYSA-N 1 2 247.342 1.990 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000574043477 364975558 /nfs/dbraw/zinc/97/55/58/364975558.db2.gz CYOHTBJOMUCDME-JFGNBEQYSA-N 1 2 247.342 1.990 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000574394902 365051233 /nfs/dbraw/zinc/05/12/33/365051233.db2.gz YGWYVUCILCGBJX-NWDGAFQWSA-N 1 2 233.315 1.267 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(F)F ZINC000574463279 365069914 /nfs/dbraw/zinc/06/99/14/365069914.db2.gz PWKMNLXNYSXQHJ-SSDOTTSWSA-N 1 2 231.246 1.312 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(F)F ZINC000574463279 365069920 /nfs/dbraw/zinc/06/99/20/365069920.db2.gz PWKMNLXNYSXQHJ-SSDOTTSWSA-N 1 2 231.246 1.312 20 0 BDADLO c1cnc(C[N@@H+]2CCOC3(CCCC3)C2)cn1 ZINC000574283659 365028911 /nfs/dbraw/zinc/02/89/11/365028911.db2.gz NIUGUGHZHRSNAK-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO c1cnc(C[N@H+]2CCOC3(CCCC3)C2)cn1 ZINC000574283659 365028921 /nfs/dbraw/zinc/02/89/21/365028921.db2.gz NIUGUGHZHRSNAK-UHFFFAOYSA-N 1 2 233.315 1.622 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000574749570 365133894 /nfs/dbraw/zinc/13/38/94/365133894.db2.gz LKFNMABPFIHHJX-KHQFGBGNSA-N 1 2 239.344 1.448 20 0 BDADLO Cc1cc(NC[C@H](O)C2CCC2)nc(C2CC2)[nH+]1 ZINC000574841767 365156499 /nfs/dbraw/zinc/15/64/99/365156499.db2.gz OMSNCKGTHAWCDY-LBPRGKRZSA-N 1 2 247.342 1.657 20 0 BDADLO C[C@@H](CC(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000574880132 365166223 /nfs/dbraw/zinc/16/62/23/365166223.db2.gz JSYZAEWVVVLWEZ-JTQLQIEISA-N 1 2 221.304 1.893 20 0 BDADLO Cn1nccc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171169391 365172740 /nfs/dbraw/zinc/17/27/40/365172740.db2.gz ZADNLLYEAQESQH-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO CC(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1 ZINC000575049906 365178300 /nfs/dbraw/zinc/17/83/00/365178300.db2.gz UECQAAKUGDSFOX-UHFFFAOYSA-N 1 2 230.271 1.666 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000080583217 370793549 /nfs/dbraw/zinc/79/35/49/370793549.db2.gz ZBZLDOUEQHVCNV-UHFFFAOYSA-N 1 2 233.319 1.651 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000574771043 365143608 /nfs/dbraw/zinc/14/36/08/365143608.db2.gz OLMBHGGFIXSAOK-AXFHLTTASA-N 1 2 235.331 1.751 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000574771043 365143611 /nfs/dbraw/zinc/14/36/11/365143611.db2.gz OLMBHGGFIXSAOK-AXFHLTTASA-N 1 2 235.331 1.751 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC(CC2CC2)C1 ZINC000622247659 370797504 /nfs/dbraw/zinc/79/75/04/370797504.db2.gz LYUXYUMYHZMOIE-UHFFFAOYSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)(C(=O)N1CC(CC2CC2)C1)c1c[nH+]c[nH]1 ZINC000622247799 370797757 /nfs/dbraw/zinc/79/77/57/370797757.db2.gz RCAXTRZCSUODFN-UHFFFAOYSA-N 1 2 247.342 1.946 20 0 BDADLO CN(Cc1cc[nH]n1)c1cc[nH+]c2ccncc21 ZINC000444087044 193034958 /nfs/dbraw/zinc/03/49/58/193034958.db2.gz RFXYZOAIZCTSIY-UHFFFAOYSA-N 1 2 239.282 1.989 20 0 BDADLO CC(=O)c1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000443372941 193019849 /nfs/dbraw/zinc/01/98/49/193019849.db2.gz LDUIQCJLHKAYGJ-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO CC(=O)c1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000443372941 193019851 /nfs/dbraw/zinc/01/98/51/193019851.db2.gz LDUIQCJLHKAYGJ-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO Cc1cc(F)ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000157748702 193023932 /nfs/dbraw/zinc/02/39/32/193023932.db2.gz OGVJQQDFNNVLDC-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO CC[C@@H](O)CCCNc1[nH+]cnc2c1cnn2C ZINC000337619002 365406193 /nfs/dbraw/zinc/40/61/93/365406193.db2.gz PPWNQNOUMQMELH-SECBINFHSA-N 1 2 249.318 1.326 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCCOC1 ZINC000575816957 365373510 /nfs/dbraw/zinc/37/35/10/365373510.db2.gz ZUYUURJVMPKZRA-NSHDSACASA-N 1 2 221.304 1.354 20 0 BDADLO CCn1nncc1COc1cc[nH+]cc1 ZINC000576093145 365481740 /nfs/dbraw/zinc/48/17/40/365481740.db2.gz ZFJAOEVHYSXPTC-UHFFFAOYSA-N 1 2 204.233 1.272 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccn1 ZINC000352189157 541480036 /nfs/dbraw/zinc/48/00/36/541480036.db2.gz CRDYDXORLWKBTH-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccn1 ZINC000352189157 541480040 /nfs/dbraw/zinc/48/00/40/541480040.db2.gz CRDYDXORLWKBTH-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccn1 ZINC000352189156 541480231 /nfs/dbraw/zinc/48/02/31/541480231.db2.gz CRDYDXORLWKBTH-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccn1 ZINC000352189156 541480235 /nfs/dbraw/zinc/48/02/35/541480235.db2.gz CRDYDXORLWKBTH-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cn[nH]c1C ZINC000183185931 366992121 /nfs/dbraw/zinc/99/21/21/366992121.db2.gz OFVAECLCHLZOEZ-SECBINFHSA-N 1 2 239.319 1.492 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cn[nH]c1C ZINC000183185931 366992128 /nfs/dbraw/zinc/99/21/28/366992128.db2.gz OFVAECLCHLZOEZ-SECBINFHSA-N 1 2 239.319 1.492 20 0 BDADLO Cc1[nH+]cc(CNc2ccc3[nH]nnc3c2)n1C ZINC000579734997 367000155 /nfs/dbraw/zinc/00/01/55/367000155.db2.gz QXZUICYKONJTEF-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO Cc1[nH+]cc(CNc2ccc3nn[nH]c3c2)n1C ZINC000579734997 367000161 /nfs/dbraw/zinc/00/01/61/367000161.db2.gz QXZUICYKONJTEF-UHFFFAOYSA-N 1 2 242.286 1.612 20 0 BDADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCCO1 ZINC000183636912 367034339 /nfs/dbraw/zinc/03/43/39/367034339.db2.gz LHQHKVUTMZPFJO-UHFFFAOYSA-N 1 2 243.266 1.650 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCC(=O)C1 ZINC000579836949 367039143 /nfs/dbraw/zinc/03/91/43/367039143.db2.gz OJNAISGCCLBRJT-ZJUUUORDSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@H](CC(=O)Nc1nccn1C)n1cc[nH+]c1 ZINC000579844729 367046616 /nfs/dbraw/zinc/04/66/16/367046616.db2.gz LGKUXGRCVJMCHV-SECBINFHSA-N 1 2 233.275 1.206 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCCCCO1 ZINC000580812386 367174522 /nfs/dbraw/zinc/17/45/22/367174522.db2.gz QOTQKQSNHVLWIQ-UHFFFAOYSA-N 1 2 238.291 1.047 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccsn1 ZINC000622309227 370837219 /nfs/dbraw/zinc/83/72/19/370837219.db2.gz JEDFDDXASJYIBR-QMMMGPOBSA-N 1 2 236.300 1.158 20 0 BDADLO CC1(C)C[NH+](CC(=O)N2CCCCCO2)C1 ZINC000580842346 367185170 /nfs/dbraw/zinc/18/51/70/367185170.db2.gz DMTDRWZSOWCWES-UHFFFAOYSA-N 1 2 226.320 1.272 20 0 BDADLO COC[C@H]([NH2+]Cc1nnsc1Cl)C(C)C ZINC000380341142 367188251 /nfs/dbraw/zinc/18/82/51/367188251.db2.gz RRCSNDPUQCSHJR-QMMMGPOBSA-N 1 2 249.767 1.952 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCOC2(CCC2)C1 ZINC000581165309 367279878 /nfs/dbraw/zinc/27/98/78/367279878.db2.gz BKTIJWDQFMPAJU-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCOCC1CC1 ZINC000194429020 367288887 /nfs/dbraw/zinc/28/88/87/367288887.db2.gz XHWHVFRSHLJFSL-UHFFFAOYSA-N 1 2 247.302 1.295 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC(=O)C1 ZINC000581194034 367290906 /nfs/dbraw/zinc/29/09/06/367290906.db2.gz XLFPQWIUFCAKKU-MRVPVSSYSA-N 1 2 234.255 1.398 20 0 BDADLO CC/C=C/CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581379044 367411655 /nfs/dbraw/zinc/41/16/55/367411655.db2.gz AYIJGIMJIPLTCK-YEZKRMTDSA-N 1 2 221.304 1.671 20 0 BDADLO CC/C=C/CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581379044 367411666 /nfs/dbraw/zinc/41/16/66/367411666.db2.gz AYIJGIMJIPLTCK-YEZKRMTDSA-N 1 2 221.304 1.671 20 0 BDADLO Cc1nsc(C)c1C[NH+]1CCN(C)CC1 ZINC000581437229 367470893 /nfs/dbraw/zinc/47/08/93/367470893.db2.gz FSASWYDOYJMJIP-UHFFFAOYSA-N 1 2 225.361 1.507 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCOC2CCC2)o1 ZINC000381762550 367455636 /nfs/dbraw/zinc/45/56/36/367455636.db2.gz UIKTVBNXIBXHQD-MRVPVSSYSA-N 1 2 225.292 1.598 20 0 BDADLO C[C@@H]1CSC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000382438380 367523422 /nfs/dbraw/zinc/52/34/22/367523422.db2.gz QTMWZBADBOMJOZ-PHDIDXHHSA-N 1 2 244.751 1.876 20 0 BDADLO C[C@@H]1CSC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000382438380 367523428 /nfs/dbraw/zinc/52/34/28/367523428.db2.gz QTMWZBADBOMJOZ-PHDIDXHHSA-N 1 2 244.751 1.876 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000384329921 367685620 /nfs/dbraw/zinc/68/56/20/367685620.db2.gz UCLATSHBPAMHAD-QXEWZRGKSA-N 1 2 229.320 1.341 20 0 BDADLO O=C(NCCCC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581669067 367699875 /nfs/dbraw/zinc/69/98/75/367699875.db2.gz AZEGTRMYKVVTSG-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO COc1cc(C[NH2+]Cc2cc(C)no2)sn1 ZINC000399174271 367849700 /nfs/dbraw/zinc/84/97/00/367849700.db2.gz MLHVZPHJUJGSQY-UHFFFAOYSA-N 1 2 239.300 1.738 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000385634472 367850268 /nfs/dbraw/zinc/85/02/68/367850268.db2.gz JARVBESVLXVAAL-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](CO)[C@H]2C)no1 ZINC000385634472 367850274 /nfs/dbraw/zinc/85/02/74/367850274.db2.gz JARVBESVLXVAAL-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000023706758 367997453 /nfs/dbraw/zinc/99/74/53/367997453.db2.gz DUPWJQMDDAECMK-NSHDSACASA-N 1 2 235.331 1.391 20 0 BDADLO CCCNC(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000023706758 367997455 /nfs/dbraw/zinc/99/74/55/367997455.db2.gz DUPWJQMDDAECMK-NSHDSACASA-N 1 2 235.331 1.391 20 0 BDADLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1ccncc1 ZINC000630922589 367958625 /nfs/dbraw/zinc/95/86/25/367958625.db2.gz PEPWRYFHMCOXJM-JTQLQIEISA-N 1 2 244.298 1.235 20 0 BDADLO COC[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566307686 326032126 /nfs/dbraw/zinc/03/21/26/326032126.db2.gz MRWNFUIJAWFEIS-MNOVXSKESA-N 1 2 239.319 1.328 20 0 BDADLO C[C@@H](CC(=O)Nc1ncccn1)n1cc[nH+]c1 ZINC000582006329 368129361 /nfs/dbraw/zinc/12/93/61/368129361.db2.gz GWHRWXWJLZCTRI-VIFPVBQESA-N 1 2 231.259 1.263 20 0 BDADLO C[C@@H]1CCC[C@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000448695351 201604133 /nfs/dbraw/zinc/60/41/33/201604133.db2.gz WAMUTZIKPUFVNV-YPMHNXCESA-N 1 2 235.331 1.826 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2ccnn2C)c1 ZINC000630956766 368149600 /nfs/dbraw/zinc/14/96/00/368149600.db2.gz JKEVOAKIIQVBSX-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO Cn1c[nH+]cc1CN=c1nc(C2(C)CC2)[nH]s1 ZINC000630957082 368153931 /nfs/dbraw/zinc/15/39/31/368153931.db2.gz ZBIFKLUUVQYFFG-UHFFFAOYSA-N 1 2 249.343 1.357 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](F)C1 ZINC000615747174 368235772 /nfs/dbraw/zinc/23/57/72/368235772.db2.gz LILAUBLSHPCVHQ-ZJUUUORDSA-N 1 2 237.278 1.016 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000615705863 368215113 /nfs/dbraw/zinc/21/51/13/368215113.db2.gz VNVXROHGNOYSGI-JMJZKYOTSA-N 1 2 233.315 1.438 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC1(C)C ZINC000615710299 368219077 /nfs/dbraw/zinc/21/90/77/368219077.db2.gz MYYFQQSHWHSJJH-JTQLQIEISA-N 1 2 235.331 1.955 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccccc1Cl ZINC000042294477 368302718 /nfs/dbraw/zinc/30/27/18/368302718.db2.gz ZADJKLGJCAXPRG-UHFFFAOYSA-N 1 2 240.734 1.908 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccccc1Cl ZINC000042294477 368302723 /nfs/dbraw/zinc/30/27/23/368302723.db2.gz ZADJKLGJCAXPRG-UHFFFAOYSA-N 1 2 240.734 1.908 20 0 BDADLO CC(C)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047608690 368464708 /nfs/dbraw/zinc/46/47/08/368464708.db2.gz ZYEBYZYEXCGOBM-LBPRGKRZSA-N 1 2 247.342 1.823 20 0 BDADLO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)N(C)C ZINC000057852718 368502058 /nfs/dbraw/zinc/50/20/58/368502058.db2.gz ZSBJULNGUBQOGX-VIFPVBQESA-N 1 2 249.339 1.903 20 0 BDADLO O=C(Nc1nncs1)c1ccc2[nH+]ccn2c1 ZINC000057911020 368503670 /nfs/dbraw/zinc/50/36/70/368503670.db2.gz UQFLCNXGEVLHCZ-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000057621454 368498106 /nfs/dbraw/zinc/49/81/06/368498106.db2.gz BCROCYPHLUMHRI-UHFFFAOYSA-N 1 2 226.242 1.395 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000057621454 368498109 /nfs/dbraw/zinc/49/81/09/368498109.db2.gz BCROCYPHLUMHRI-UHFFFAOYSA-N 1 2 226.242 1.395 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCC1 ZINC000567059660 326109232 /nfs/dbraw/zinc/10/92/32/326109232.db2.gz CZRRVNXNZXZLSF-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCC1 ZINC000567059660 326109235 /nfs/dbraw/zinc/10/92/35/326109235.db2.gz CZRRVNXNZXZLSF-SECBINFHSA-N 1 2 221.304 1.505 20 0 BDADLO CNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000068300747 368722304 /nfs/dbraw/zinc/72/23/04/368722304.db2.gz DBLWLNWDIZOWHM-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CNC(=O)C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000068300747 368722307 /nfs/dbraw/zinc/72/23/07/368722307.db2.gz DBLWLNWDIZOWHM-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO Cc1c(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cnn1C ZINC000622427611 370914978 /nfs/dbraw/zinc/91/49/78/370914978.db2.gz BGJGWUIBGSEKTH-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO Cc1c(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cnn1C ZINC000622427611 370914981 /nfs/dbraw/zinc/91/49/81/370914981.db2.gz BGJGWUIBGSEKTH-UHFFFAOYSA-N 1 2 247.302 1.368 20 0 BDADLO C[C@]1(NC(=O)CCc2[nH]cc[nH+]2)CCCOC1 ZINC000622482597 370947812 /nfs/dbraw/zinc/94/78/12/370947812.db2.gz DLUUPOXPJCZPTO-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO CC(C)(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000457343902 203040737 /nfs/dbraw/zinc/04/07/37/203040737.db2.gz NWENRYTZYQZRJJ-UHFFFAOYSA-N 1 2 235.331 1.778 20 0 BDADLO Cc1nccnc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000615953983 368769707 /nfs/dbraw/zinc/76/97/07/368769707.db2.gz NJUIZVFMJQEEIB-UHFFFAOYSA-N 1 2 245.286 1.173 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](O)C1CCCCC1 ZINC000259816527 370945708 /nfs/dbraw/zinc/94/57/08/370945708.db2.gz WJALDMFJNLSOJA-LBPRGKRZSA-N 1 2 243.347 1.423 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](O)C1CCCCC1 ZINC000259816527 370945711 /nfs/dbraw/zinc/94/57/11/370945711.db2.gz WJALDMFJNLSOJA-LBPRGKRZSA-N 1 2 243.347 1.423 20 0 BDADLO CCc1noc(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000069637804 368756316 /nfs/dbraw/zinc/75/63/16/368756316.db2.gz AHDAUBDFUIPAMQ-UHFFFAOYSA-N 1 2 248.286 1.172 20 0 BDADLO CCSCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074192522 368832988 /nfs/dbraw/zinc/83/29/88/368832988.db2.gz MEPQMFHNLOLGJK-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000074219321 368833529 /nfs/dbraw/zinc/83/35/29/368833529.db2.gz IJQWXAIVJHWJNC-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000073120961 368794941 /nfs/dbraw/zinc/79/49/41/368794941.db2.gz XLYJLWBOOSOPCO-LLVKDONJSA-N 1 2 221.304 1.532 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1(c2ccccc2)CC1 ZINC000073269525 368799357 /nfs/dbraw/zinc/79/93/57/368799357.db2.gz QCWSASARWXTUMR-UHFFFAOYSA-N 1 2 241.294 1.689 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC000114713217 368949864 /nfs/dbraw/zinc/94/98/64/368949864.db2.gz CYBSJHJNWHMQPZ-UHFFFAOYSA-N 1 2 233.271 1.443 20 0 BDADLO CC(C)(NC(=O)Cn1cc[nH+]c1)C(F)(F)F ZINC000616202621 369044085 /nfs/dbraw/zinc/04/40/85/369044085.db2.gz AMFNNNWFJWOTDM-UHFFFAOYSA-N 1 2 235.209 1.340 20 0 BDADLO CCC(C)(C)OCC(=O)Nc1cc[nH+]c(C)c1 ZINC000457561617 203076120 /nfs/dbraw/zinc/07/61/20/203076120.db2.gz LWFYDHLROOLNOM-UHFFFAOYSA-N 1 2 236.315 1.956 20 0 BDADLO CO[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000130812865 369088706 /nfs/dbraw/zinc/08/87/06/369088706.db2.gz ZAGQCTUJUCGQLJ-IVZWLZJFSA-N 1 2 231.336 1.730 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855283 203113498 /nfs/dbraw/zinc/11/34/98/203113498.db2.gz KRMOFDWUCBBKPP-DGCLKSJQSA-N 1 2 235.331 1.515 20 0 BDADLO CCC(C)(C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457850095 203112126 /nfs/dbraw/zinc/11/21/26/203112126.db2.gz GUGTVGPNQJEXTJ-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457853254 203112232 /nfs/dbraw/zinc/11/22/32/203112232.db2.gz JBTIDDZQAJZISN-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO CCC1(C(=O)NCCc2cn(C)c[nH+]2)CCC1 ZINC000457859725 203112849 /nfs/dbraw/zinc/11/28/49/203112849.db2.gz OGXQTZLTRVIPMC-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC(=O)c1ccc(C(=O)NC2C[NH+](C(C)C)C2)[nH]1 ZINC000457736618 203096641 /nfs/dbraw/zinc/09/66/41/203096641.db2.gz OEHFFKWFPMEUCQ-UHFFFAOYSA-N 1 2 249.314 1.040 20 0 BDADLO CC1=C(C(=O)NCCc2cn(C)c[nH+]2)CCC1 ZINC000457863757 203114103 /nfs/dbraw/zinc/11/41/03/203114103.db2.gz STXOIXBCXPSQFL-UHFFFAOYSA-N 1 2 233.315 1.579 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2C=CCCC2)c1 ZINC000457866569 203115442 /nfs/dbraw/zinc/11/54/42/203115442.db2.gz WENIMSWYYWGING-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@]2(C)CC2(F)F)c[nH+]1 ZINC000618627794 369189150 /nfs/dbraw/zinc/18/91/50/369189150.db2.gz IQHQJYQPNQRXCN-SNVBAGLBSA-N 1 2 243.257 1.883 20 0 BDADLO Cc1occc1CNc1[nH+]cnc2c1cnn2C ZINC000618745478 369207050 /nfs/dbraw/zinc/20/70/50/369207050.db2.gz UJBFFRXUFLMELL-UHFFFAOYSA-N 1 2 243.270 1.877 20 0 BDADLO CC[C@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000618863631 369226496 /nfs/dbraw/zinc/22/64/96/369226496.db2.gz CMOZBLNKAMRAKN-LBPRGKRZSA-N 1 2 235.331 1.968 20 0 BDADLO CC/C=C\CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000458971944 203213020 /nfs/dbraw/zinc/21/30/20/203213020.db2.gz LIWIIOLLKZHMJY-WAYWQWQTSA-N 1 2 236.319 1.528 20 0 BDADLO Cc1cccn2c(NC(=O)[C@H]3CCCO3)c[nH+]c12 ZINC000619010351 369257442 /nfs/dbraw/zinc/25/74/42/369257442.db2.gz CJMYTKSRPMSAOE-SNVBAGLBSA-N 1 2 245.282 1.760 20 0 BDADLO CC[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1CC ZINC000459008594 203222515 /nfs/dbraw/zinc/22/25/15/203222515.db2.gz LIKREAOBVLEKFC-SNVBAGLBSA-N 1 2 238.335 1.843 20 0 BDADLO CCn1nncc1C[N@H+](C)Cc1ccco1 ZINC000459285928 203248041 /nfs/dbraw/zinc/24/80/41/203248041.db2.gz CLFDECGWKFXGLO-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO CCn1nncc1C[N@@H+](C)Cc1ccco1 ZINC000459285928 203248042 /nfs/dbraw/zinc/24/80/42/203248042.db2.gz CLFDECGWKFXGLO-UHFFFAOYSA-N 1 2 220.276 1.523 20 0 BDADLO COCC[N@H+](Cc1cc(COC)on1)C1CC1 ZINC000459308962 203251732 /nfs/dbraw/zinc/25/17/32/203251732.db2.gz VEHFCYFDCPKOEY-UHFFFAOYSA-N 1 2 240.303 1.432 20 0 BDADLO COCC[N@@H+](Cc1cc(COC)on1)C1CC1 ZINC000459308962 203251737 /nfs/dbraw/zinc/25/17/37/203251737.db2.gz VEHFCYFDCPKOEY-UHFFFAOYSA-N 1 2 240.303 1.432 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)no1 ZINC000459345927 203263769 /nfs/dbraw/zinc/26/37/69/203263769.db2.gz KECBEQACSOFFGF-JOYOIKCWSA-N 1 2 222.288 1.805 20 0 BDADLO COCc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)no1 ZINC000459345927 203263773 /nfs/dbraw/zinc/26/37/73/203263773.db2.gz KECBEQACSOFFGF-JOYOIKCWSA-N 1 2 222.288 1.805 20 0 BDADLO CCC(F)(F)C[NH2+]Cc1cnn(CCOC)c1 ZINC000623679940 369381588 /nfs/dbraw/zinc/38/15/88/369381588.db2.gz QHJBRDUPNQGIHR-UHFFFAOYSA-N 1 2 247.289 1.664 20 0 BDADLO CC[C@@](COC)([NH2+]CCCSC)C(=O)OC ZINC000459584524 203307859 /nfs/dbraw/zinc/30/78/59/203307859.db2.gz HLWTWWLDFHQLCK-NSHDSACASA-N 1 2 249.376 1.297 20 0 BDADLO CCOC1(C)C[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000459621219 203318661 /nfs/dbraw/zinc/31/86/61/203318661.db2.gz NAOIKWBTOFYPMQ-UHFFFAOYSA-N 1 2 223.320 1.637 20 0 BDADLO CCCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000123153061 369405215 /nfs/dbraw/zinc/40/52/15/369405215.db2.gz IFUCFVXRVYKQNE-UHFFFAOYSA-N 1 2 224.308 1.362 20 0 BDADLO C[N@H+](Cc1noc2c1CCCC2)[C@@H]1CCOC1 ZINC000108868201 369413383 /nfs/dbraw/zinc/41/33/83/369413383.db2.gz CVOBPGLHKLTKNP-SNVBAGLBSA-N 1 2 236.315 1.774 20 0 BDADLO C[N@@H+](Cc1noc2c1CCCC2)[C@@H]1CCOC1 ZINC000108868201 369413390 /nfs/dbraw/zinc/41/33/90/369413390.db2.gz CVOBPGLHKLTKNP-SNVBAGLBSA-N 1 2 236.315 1.774 20 0 BDADLO COC(=O)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459636183 203325718 /nfs/dbraw/zinc/32/57/18/203325718.db2.gz JSTWNTAIAFFGPA-NSHDSACASA-N 1 2 236.315 1.555 20 0 BDADLO CC(C)[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000622485550 370952402 /nfs/dbraw/zinc/95/24/02/370952402.db2.gz QLYBFDXVCDGKEH-JTQLQIEISA-N 1 2 221.304 1.599 20 0 BDADLO CCCCc1cc(NCCCO)nc[nH+]1 ZINC000631031555 370965781 /nfs/dbraw/zinc/96/57/81/370965781.db2.gz BBXFQGOKSYHMDH-UHFFFAOYSA-N 1 2 209.293 1.035 20 0 BDADLO COC[C@H](C)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631034901 370982981 /nfs/dbraw/zinc/98/29/81/370982981.db2.gz VTVZINSYBGKWBZ-QMMMGPOBSA-N 1 2 246.314 1.704 20 0 BDADLO COc1ccc2[nH+]c(N3CC(O)C3)ccc2c1 ZINC000117865746 370978940 /nfs/dbraw/zinc/97/89/40/370978940.db2.gz XZRRWPKJLFXYJI-UHFFFAOYSA-N 1 2 230.267 1.424 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000459792290 203370978 /nfs/dbraw/zinc/37/09/78/203370978.db2.gz JOCNZCQEUZBFPF-IUCAKERBSA-N 1 2 239.344 1.712 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000459792290 203370982 /nfs/dbraw/zinc/37/09/82/203370982.db2.gz JOCNZCQEUZBFPF-IUCAKERBSA-N 1 2 239.344 1.712 20 0 BDADLO CC(C)c1nc(N(C)CC(=O)NC2CC2)cc[nH+]1 ZINC000110117489 369620122 /nfs/dbraw/zinc/62/01/22/369620122.db2.gz VBGSFALAGLZNRD-UHFFFAOYSA-N 1 2 248.330 1.315 20 0 BDADLO CC(C)CC1(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000620284993 369801057 /nfs/dbraw/zinc/80/10/57/369801057.db2.gz QZKUPZFKCCIEMJ-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCc1ccoc1 ZINC000620500389 369897050 /nfs/dbraw/zinc/89/70/50/369897050.db2.gz SCVOKDBDXXYMIX-UHFFFAOYSA-N 1 2 233.271 1.573 20 0 BDADLO C[C@H](NC(=O)c1cc[nH]c1)c1[nH+]ccn1C ZINC000620599924 369948982 /nfs/dbraw/zinc/94/89/82/369948982.db2.gz JVXDCRPIRYPPAB-QMMMGPOBSA-N 1 2 218.260 1.239 20 0 BDADLO C[C@H](NC(=O)[C@@H](C)c1ccco1)c1[nH+]ccn1C ZINC000620599930 369949220 /nfs/dbraw/zinc/94/92/20/369949220.db2.gz JYCOKJKZVGGZMK-UWVGGRQHSA-N 1 2 247.298 1.994 20 0 BDADLO CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604661 369953119 /nfs/dbraw/zinc/95/31/19/369953119.db2.gz URLWSYBSVXVJSX-AXFHLTTASA-N 1 2 235.331 1.889 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605244 369953428 /nfs/dbraw/zinc/95/34/28/369953428.db2.gz ZHSOHAVBYGDJSQ-UWVGGRQHSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CO[C@H](C)C1)c1[nH+]ccn1C ZINC000620606668 369955800 /nfs/dbraw/zinc/95/58/00/369955800.db2.gz YIHBWASZKFQYMI-OPRDCNLKSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@@H](NC(=O)c1cc(F)c[nH]1)c1[nH+]ccn1C ZINC000620608480 369956778 /nfs/dbraw/zinc/95/67/78/369956778.db2.gz OOMWWIALMDQLJV-SSDOTTSWSA-N 1 2 236.250 1.378 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620608106 369957317 /nfs/dbraw/zinc/95/73/17/369957317.db2.gz MJOJTLPKWMWAOM-VHSXEESVSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1C=CCC1)c1[nH+]ccn1C ZINC000620591480 369944239 /nfs/dbraw/zinc/94/42/39/369944239.db2.gz CSKOWCILMUSVEG-MNOVXSKESA-N 1 2 233.315 1.954 20 0 BDADLO COCCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620595172 369947295 /nfs/dbraw/zinc/94/72/95/369947295.db2.gz JJDRYYBQGUSTEQ-JTQLQIEISA-N 1 2 239.319 1.414 20 0 BDADLO CCO[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620596352 369947522 /nfs/dbraw/zinc/94/75/22/369947522.db2.gz OACNOUTYDNZYLP-RKDXNWHRSA-N 1 2 225.292 1.022 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)n1cccn1)c1[nH+]ccn1C ZINC000620596641 369947715 /nfs/dbraw/zinc/94/77/15/369947715.db2.gz QEZUSBZIKGYOQN-ZJUUUORDSA-N 1 2 247.302 1.055 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000620736578 369984762 /nfs/dbraw/zinc/98/47/62/369984762.db2.gz XGNCFJFFMMDSKK-SECBINFHSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000620736578 369984766 /nfs/dbraw/zinc/98/47/66/369984766.db2.gz XGNCFJFFMMDSKK-SECBINFHSA-N 1 2 247.342 1.819 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2n[nH]c(=O)o2)ccn1 ZINC000621304140 370233268 /nfs/dbraw/zinc/23/32/68/370233268.db2.gz ZXEOPIJJOCZJKU-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2n[nH]c(=O)o2)ccn1 ZINC000621304140 370233273 /nfs/dbraw/zinc/23/32/73/370233273.db2.gz ZXEOPIJJOCZJKU-UHFFFAOYSA-N 1 2 234.259 1.111 20 0 BDADLO Cc1nc(C)c(C(=O)NCCCn2cc[nH+]c2)[nH]1 ZINC000621267369 370199763 /nfs/dbraw/zinc/19/97/63/370199763.db2.gz ZEQKTQZLANXNIG-UHFFFAOYSA-N 1 2 247.302 1.043 20 0 BDADLO CC[C@@H]([NH2+]CCOCC1CCC1)C(=O)OC ZINC000310020662 370288981 /nfs/dbraw/zinc/28/89/81/370288981.db2.gz NDTNJNRNOQTDJX-LLVKDONJSA-N 1 2 229.320 1.344 20 0 BDADLO COc1c(C)[nH+]cnc1NCC1CC(C)C1 ZINC000621355592 370291283 /nfs/dbraw/zinc/29/12/83/370291283.db2.gz RHFAVDRUUIBVGN-UHFFFAOYSA-N 1 2 221.304 1.674 20 0 BDADLO Cc1nnc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)[nH]1 ZINC000621380674 370324476 /nfs/dbraw/zinc/32/44/76/370324476.db2.gz BJKDVLUEZWQTJT-JTQLQIEISA-N 1 2 238.335 1.096 20 0 BDADLO Cc1nnc(C[N@H+]2CC(C)(C)CC[C@H]2CO)[nH]1 ZINC000621380674 370324478 /nfs/dbraw/zinc/32/44/78/370324478.db2.gz BJKDVLUEZWQTJT-JTQLQIEISA-N 1 2 238.335 1.096 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H](C)O1 ZINC000621713285 370460943 /nfs/dbraw/zinc/46/09/43/370460943.db2.gz FOECUFHFRSNURW-CMPLNLGQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H](C)O1 ZINC000621713285 370460947 /nfs/dbraw/zinc/46/09/47/370460947.db2.gz FOECUFHFRSNURW-CMPLNLGQSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOCC1(C)C ZINC000621713692 370461074 /nfs/dbraw/zinc/46/10/74/370461074.db2.gz SBBUGOGLZPWLPM-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOCC1(C)C ZINC000621713692 370461077 /nfs/dbraw/zinc/46/10/77/370461077.db2.gz SBBUGOGLZPWLPM-UHFFFAOYSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nccnc2C)C[C@@H](C)O1 ZINC000621713287 370461411 /nfs/dbraw/zinc/46/14/11/370461411.db2.gz FOECUFHFRSNURW-PWSUYJOCSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nccnc2C)C[C@@H](C)O1 ZINC000621713287 370461416 /nfs/dbraw/zinc/46/14/16/370461416.db2.gz FOECUFHFRSNURW-PWSUYJOCSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000621717149 370466103 /nfs/dbraw/zinc/46/61/03/370466103.db2.gz XOMGTCJQZNBQMR-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000621717149 370466107 /nfs/dbraw/zinc/46/61/07/370466107.db2.gz XOMGTCJQZNBQMR-QWRGUYRKSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000621721425 370472127 /nfs/dbraw/zinc/47/21/27/370472127.db2.gz OITYMTQQAJNJQG-VIFPVBQESA-N 1 2 235.331 1.850 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000621725257 370477199 /nfs/dbraw/zinc/47/71/99/370477199.db2.gz IOTGWODLMLQAGV-HZMBPMFUSA-N 1 2 247.342 1.784 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000621725257 370477202 /nfs/dbraw/zinc/47/72/02/370477202.db2.gz IOTGWODLMLQAGV-HZMBPMFUSA-N 1 2 247.342 1.784 20 0 BDADLO CN(CCC1CC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621927320 370603533 /nfs/dbraw/zinc/60/35/33/370603533.db2.gz MFILLWSGVBANLN-UHFFFAOYSA-N 1 2 235.331 1.946 20 0 BDADLO CN(c1cc(-n2cc[nH+]c2)ncn1)C1CCC1 ZINC000078447417 370564766 /nfs/dbraw/zinc/56/47/66/370564766.db2.gz XZBQFLXPAKNURC-UHFFFAOYSA-N 1 2 229.287 1.651 20 0 BDADLO O[C@H]1CCCC[C@H]1C[N@@H+]1CCC(F)(F)C1 ZINC000313250615 370574619 /nfs/dbraw/zinc/57/46/19/370574619.db2.gz JZKHTMPEUFMXKD-UWVGGRQHSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1CCCC[C@H]1C[N@H+]1CCC(F)(F)C1 ZINC000313250615 370574621 /nfs/dbraw/zinc/57/46/21/370574621.db2.gz JZKHTMPEUFMXKD-UWVGGRQHSA-N 1 2 219.275 1.879 20 0 BDADLO CCc1cc(NCC(C)(C)CCO)nc[nH+]1 ZINC000078688985 370590140 /nfs/dbraw/zinc/59/01/40/370590140.db2.gz XKBOIJQLBLNXHS-UHFFFAOYSA-N 1 2 223.320 1.860 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000082792038 371037004 /nfs/dbraw/zinc/03/70/04/371037004.db2.gz KMUXFHJVPBBDHQ-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000082792038 371037008 /nfs/dbraw/zinc/03/70/08/371037008.db2.gz KMUXFHJVPBBDHQ-JTQLQIEISA-N 1 2 249.310 1.615 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CC2(C)CC2)c1 ZINC000622686014 371063780 /nfs/dbraw/zinc/06/37/80/371063780.db2.gz VZXXNEMIRXYIHO-UHFFFAOYSA-N 1 2 221.304 1.269 20 0 BDADLO C/C=C/CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000623908626 371151309 /nfs/dbraw/zinc/15/13/09/371151309.db2.gz JTQUOKPZPIIIMQ-PBKGFPTLSA-N 1 2 234.303 1.073 20 0 BDADLO COc1ccc[nH+]c1NCc1nnnn1C1CC1 ZINC000624004744 371241910 /nfs/dbraw/zinc/24/19/10/371241910.db2.gz SBQBNFXNJITQCM-UHFFFAOYSA-N 1 2 246.274 1.024 20 0 BDADLO C/C=C\CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000624166277 371359928 /nfs/dbraw/zinc/35/99/28/371359928.db2.gz VBNULNJSMNWHIH-HWKXXFMVSA-N 1 2 234.303 1.764 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nnc(C)n2C)C1 ZINC000156003087 371338295 /nfs/dbraw/zinc/33/82/95/371338295.db2.gz ZWQAMACHFNMSIW-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nnc(C)n2C)C1 ZINC000156003087 371338298 /nfs/dbraw/zinc/33/82/98/371338298.db2.gz ZWQAMACHFNMSIW-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CC[C@@H](NC(=O)CSC1CC1)c1[nH]cc[nH+]1 ZINC000572949711 326420114 /nfs/dbraw/zinc/42/01/14/326420114.db2.gz QEOGPIIWKZHTHP-SECBINFHSA-N 1 2 239.344 1.873 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H]2COC[C@]2(C)C1 ZINC000624399618 371500881 /nfs/dbraw/zinc/50/08/81/371500881.db2.gz QTGBIMOKZPRNCX-GWCFXTLKSA-N 1 2 234.299 1.563 20 0 BDADLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000131091195 371557236 /nfs/dbraw/zinc/55/72/36/371557236.db2.gz ZAGQCTUJUCGQLJ-UTLUCORTSA-N 1 2 231.336 1.730 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C ZINC000131532503 371615388 /nfs/dbraw/zinc/61/53/88/371615388.db2.gz RCPWNDDJLXABDI-GHMZBOCLSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1noc(C)c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627364248 371585973 /nfs/dbraw/zinc/58/59/73/371585973.db2.gz KLTZELSQSNQBCG-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO Cc1noc(C)c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627364248 371585976 /nfs/dbraw/zinc/58/59/76/371585976.db2.gz KLTZELSQSNQBCG-UHFFFAOYSA-N 1 2 246.270 1.213 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000627367642 371586081 /nfs/dbraw/zinc/58/60/81/371586081.db2.gz AIIOQYFONBUADQ-VIFPVBQESA-N 1 2 245.282 1.691 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000627367642 371586085 /nfs/dbraw/zinc/58/60/85/371586085.db2.gz AIIOQYFONBUADQ-VIFPVBQESA-N 1 2 245.282 1.691 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000627371645 371589893 /nfs/dbraw/zinc/58/98/93/371589893.db2.gz MQWNPBLSASFIQB-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000627371645 371589900 /nfs/dbraw/zinc/58/99/00/371589900.db2.gz MQWNPBLSASFIQB-NSHDSACASA-N 1 2 249.314 1.252 20 0 BDADLO COc1ccc(NCc2cc(C)no2)[nH+]c1 ZINC000226949990 371760055 /nfs/dbraw/zinc/76/00/55/371760055.db2.gz YOPXARGWOFQSCC-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCCO1 ZINC000277301951 181834400 /nfs/dbraw/zinc/83/44/00/181834400.db2.gz BAQKQJHNEKVOJC-ZWNMCFTASA-N 1 2 235.287 1.108 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCOCC1 ZINC000282704117 181834958 /nfs/dbraw/zinc/83/49/58/181834958.db2.gz BBUDQXMWQWETGM-HMDXOVGESA-N 1 2 235.287 1.108 20 0 BDADLO CCc1cc(NCC[C@H](C)[S@@](C)=O)nc[nH+]1 ZINC000133103607 371988799 /nfs/dbraw/zinc/98/87/99/371988799.db2.gz PFRBGGDXSQROTA-FVMDXXJSSA-N 1 2 241.360 1.608 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC13CC3)CC2 ZINC000627831956 372044973 /nfs/dbraw/zinc/04/49/73/372044973.db2.gz UUVJCQFUWHGCJA-GHMZBOCLSA-N 1 2 245.326 1.423 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)c1csnn1 ZINC000631158619 372211419 /nfs/dbraw/zinc/21/14/19/372211419.db2.gz CWZAPICQGRLRMH-SSDOTTSWSA-N 1 2 236.300 1.490 20 0 BDADLO CCc1nnc(CNc2cc(CC)[nH+]cn2)o1 ZINC000631183361 372221148 /nfs/dbraw/zinc/22/11/48/372221148.db2.gz FOCSNFNOYJBFTP-UHFFFAOYSA-N 1 2 233.275 1.018 20 0 BDADLO Cc1nc(N2C[C@H](C)CC(C)(C)C2)nc(N)[nH+]1 ZINC000631203737 372233824 /nfs/dbraw/zinc/23/38/24/372233824.db2.gz CWDZFTYUSPXFAC-MRVPVSSYSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N)nc(N2C[C@H](C)CC(C)(C)C2)[nH+]1 ZINC000631203737 372233828 /nfs/dbraw/zinc/23/38/28/372233828.db2.gz CWDZFTYUSPXFAC-MRVPVSSYSA-N 1 2 235.335 1.465 20 0 BDADLO Cc1nc(N2CCC(C)(C(C)C)CC2)nc(N)[nH+]1 ZINC000631216697 372239611 /nfs/dbraw/zinc/23/96/11/372239611.db2.gz NICIJTPXGFUSNA-UHFFFAOYSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC(C)(C(C)C)CC2)[nH+]1 ZINC000631216697 372239621 /nfs/dbraw/zinc/23/96/21/372239621.db2.gz NICIJTPXGFUSNA-UHFFFAOYSA-N 1 2 249.362 1.855 20 0 BDADLO CCCCc1cc(NC[C@@](C)(O)C2CC2)nc[nH+]1 ZINC000631116268 372203045 /nfs/dbraw/zinc/20/30/45/372203045.db2.gz IASASRIMQFUQJR-CQSZACIVSA-N 1 2 249.358 1.814 20 0 BDADLO CCOC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000631254634 372262615 /nfs/dbraw/zinc/26/26/15/372262615.db2.gz QVFDANADAMJWLJ-UHFFFAOYSA-N 1 2 222.288 1.566 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@@H]2C2CC2)nc(N)[nH+]1 ZINC000631300042 372285342 /nfs/dbraw/zinc/28/53/42/372285342.db2.gz ZNZJFRVPASKYMD-WDEREUQCSA-N 1 2 247.346 1.253 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@@H]2C2CC2)[nH+]1 ZINC000631300042 372285344 /nfs/dbraw/zinc/28/53/44/372285344.db2.gz ZNZJFRVPASKYMD-WDEREUQCSA-N 1 2 247.346 1.253 20 0 BDADLO OC[C@H]1CN(c2cc3ccccc3c[nH+]2)C[C@@H]1O ZINC000631308263 372288454 /nfs/dbraw/zinc/28/84/54/372288454.db2.gz PKSQFXZUSOVHDM-OLZOCXBDSA-N 1 2 244.294 1.024 20 0 BDADLO COc1cc(CNc2cc[nH+]c(C3CC3)n2)on1 ZINC000631369537 372319453 /nfs/dbraw/zinc/31/94/53/372319453.db2.gz MVQVKXGIERARHF-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO Cc1nc(NCC(F)(F)C(C)(C)C)nc(N)[nH+]1 ZINC000631378862 372324635 /nfs/dbraw/zinc/32/46/35/372324635.db2.gz DYAXIXXVPBPQRT-UHFFFAOYSA-N 1 2 245.277 1.108 20 0 BDADLO Cc1nc(N)nc(NCC(F)(F)C(C)(C)C)[nH+]1 ZINC000631378862 372324641 /nfs/dbraw/zinc/32/46/41/372324641.db2.gz DYAXIXXVPBPQRT-UHFFFAOYSA-N 1 2 245.277 1.108 20 0 BDADLO Cc1noc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000631431659 372360787 /nfs/dbraw/zinc/36/07/87/372360787.db2.gz WEIRQKORJXCSEE-XPUUQOCRSA-N 1 2 247.258 1.010 20 0 BDADLO COc1c(C)[nH+]cnc1NCC(C)(C)F ZINC000631406483 372339972 /nfs/dbraw/zinc/33/99/72/372339972.db2.gz LYQBDLQFHDPTEA-UHFFFAOYSA-N 1 2 213.256 1.376 20 0 BDADLO CCc1cc(N[C@H](C)[C@H](O)C(F)(F)F)nc[nH+]1 ZINC000631493937 372394337 /nfs/dbraw/zinc/39/43/37/372394337.db2.gz RFGHLTLXFYCACA-MUWHJKNJSA-N 1 2 249.236 1.763 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@](C)(O)C2)s1 ZINC000680059485 487528068 /nfs/dbraw/zinc/52/80/68/487528068.db2.gz LVWKINGDCBSYFA-SNVBAGLBSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@](C)(O)C2)s1 ZINC000680059485 487528073 /nfs/dbraw/zinc/52/80/73/487528073.db2.gz LVWKINGDCBSYFA-SNVBAGLBSA-N 1 2 227.333 1.057 20 0 BDADLO CC[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)C1CC1 ZINC000664438451 487528067 /nfs/dbraw/zinc/52/80/67/487528067.db2.gz SGNYIHIGYNNZRD-VIFPVBQESA-N 1 2 246.318 1.546 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)no1 ZINC000172013833 372856685 /nfs/dbraw/zinc/85/66/85/372856685.db2.gz NSXZNYCQAQPOIH-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)no1 ZINC000172013833 372856690 /nfs/dbraw/zinc/85/66/90/372856690.db2.gz NSXZNYCQAQPOIH-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO O=C(C[C@@H]1C=CCCC1)NC1=[NH+]CCS1 ZINC000186450527 182015206 /nfs/dbraw/zinc/01/52/06/182015206.db2.gz XWICUOFNUKIFHX-SECBINFHSA-N 1 2 224.329 1.952 20 0 BDADLO O=C(C[C@H]1CCCO1)NCCNc1cccc[nH+]1 ZINC000299234204 182028013 /nfs/dbraw/zinc/02/80/13/182028013.db2.gz SIKIETWFKMPVRK-LLVKDONJSA-N 1 2 249.314 1.179 20 0 BDADLO CCCCNc1cccc(-n2cc[nH+]c2)n1 ZINC000370604679 168836164 /nfs/dbraw/zinc/83/61/64/168836164.db2.gz ROFAOIVDQAZFLT-UHFFFAOYSA-N 1 2 216.288 1.901 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)NCCC1CC1 ZINC000174668326 182059358 /nfs/dbraw/zinc/05/93/58/182059358.db2.gz YOCKSMASZMHTSU-UHFFFAOYSA-N 1 2 243.310 1.793 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1ccc(Cl)cc1 ZINC000010809216 182071038 /nfs/dbraw/zinc/07/10/38/182071038.db2.gz KUMKTPRFNBAATD-UHFFFAOYSA-N 1 2 249.701 1.853 20 0 BDADLO O=C(CCCCO)Nc1ccn2cc[nH+]c2c1 ZINC000632810673 373158268 /nfs/dbraw/zinc/15/82/68/373158268.db2.gz NDQNUDDOBAXVNB-UHFFFAOYSA-N 1 2 233.271 1.435 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000285785077 182071832 /nfs/dbraw/zinc/07/18/32/182071832.db2.gz LOPPZBDMMXBUHG-VXGBXAGGSA-N 1 2 249.314 1.053 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CC1(C)C ZINC000632998076 373247159 /nfs/dbraw/zinc/24/71/59/373247159.db2.gz BKXJKLWNOUBXCF-SECBINFHSA-N 1 2 236.319 1.597 20 0 BDADLO O=C(NC1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000110247979 182096341 /nfs/dbraw/zinc/09/63/41/182096341.db2.gz OIDKINCMVUAACY-UHFFFAOYSA-N 1 2 234.303 1.461 20 0 BDADLO O=C(NC1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000162760048 182096709 /nfs/dbraw/zinc/09/67/09/182096709.db2.gz JKRCOWHJTHJRJF-LLVKDONJSA-N 1 2 246.314 1.122 20 0 BDADLO O=C(NC1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272311182 182100105 /nfs/dbraw/zinc/10/01/05/182100105.db2.gz YKFCQCPVAWCUCX-UHFFFAOYSA-N 1 2 228.255 1.160 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1nocc1C ZINC000633288664 373452464 /nfs/dbraw/zinc/45/24/64/373452464.db2.gz NTMUMVSAUAYHJB-SECBINFHSA-N 1 2 248.286 1.690 20 0 BDADLO Cc1nocc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000633454518 373559991 /nfs/dbraw/zinc/55/99/91/373559991.db2.gz LNJRYLSYFUODSE-UHFFFAOYSA-N 1 2 245.282 1.925 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1C[C@@H]1C1CC1 ZINC000362320917 182177356 /nfs/dbraw/zinc/17/73/56/182177356.db2.gz RGUOJOFWWACMEZ-NEPJUHHUSA-N 1 2 248.330 1.371 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C(F)F ZINC000338102276 182178948 /nfs/dbraw/zinc/17/89/48/182178948.db2.gz XBRMFMIMWZZSRG-DTWKUNHWSA-N 1 2 243.257 1.291 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@]12C[C@H]1CCCC2 ZINC000634090096 373957985 /nfs/dbraw/zinc/95/79/85/373957985.db2.gz NGGLUHDVBGSIJM-BXUZGUMPSA-N 1 2 247.342 1.802 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c[nH+]1 ZINC000634025973 373911220 /nfs/dbraw/zinc/91/12/20/373911220.db2.gz ZWWIHEYTJWJAFE-BKPPORCPSA-N 1 2 223.276 1.014 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c[nH+]1 ZINC000634025976 373911392 /nfs/dbraw/zinc/91/13/92/373911392.db2.gz ZWWIHEYTJWJAFE-LKEWCRSYSA-N 1 2 223.276 1.014 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)O1 ZINC000634034195 373922857 /nfs/dbraw/zinc/92/28/57/373922857.db2.gz YCFHNRUZVZVPIG-KKZNHRDASA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)O1 ZINC000634034195 373922868 /nfs/dbraw/zinc/92/28/68/373922868.db2.gz YCFHNRUZVZVPIG-KKZNHRDASA-N 1 2 237.303 1.024 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)O1 ZINC000634033491 373923594 /nfs/dbraw/zinc/92/35/94/373923594.db2.gz VKNURBXHYQEXTR-KXUCPTDWSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc[nH]c1C1CC1 ZINC000339936741 182212199 /nfs/dbraw/zinc/21/21/99/182212199.db2.gz IZGBGANCVNBJAF-UHFFFAOYSA-N 1 2 244.298 1.588 20 0 BDADLO CC(C)N(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000190861250 259569188 /nfs/dbraw/zinc/56/91/88/259569188.db2.gz AFKAGSSXDVKYKU-UHFFFAOYSA-N 1 2 238.335 1.665 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1conc1C1CC1 ZINC000289699000 182216851 /nfs/dbraw/zinc/21/68/51/182216851.db2.gz XXFHTMBWZFZDOM-UHFFFAOYSA-N 1 2 246.270 1.179 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccoc1C1CC1 ZINC000281039577 182217037 /nfs/dbraw/zinc/21/70/37/182217037.db2.gz PHSFKRGTUDYZPD-UHFFFAOYSA-N 1 2 245.282 1.784 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C1CC=CC1 ZINC000178380470 182264457 /nfs/dbraw/zinc/26/44/57/182264457.db2.gz HCSSOVXWKWMTRV-UHFFFAOYSA-N 1 2 241.294 1.917 20 0 BDADLO O=C(NCc1ccco1)N1CCn2c[nH+]cc2C1 ZINC000290483309 182262009 /nfs/dbraw/zinc/26/20/09/182262009.db2.gz GGXIGNCXMSXXKL-UHFFFAOYSA-N 1 2 246.270 1.202 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2c1OCO2 ZINC000114180616 182273179 /nfs/dbraw/zinc/27/31/79/182273179.db2.gz BGRARZPELUBTIA-UHFFFAOYSA-N 1 2 245.238 1.068 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC1(Cl)Cl ZINC000265129582 182273229 /nfs/dbraw/zinc/27/32/29/182273229.db2.gz QTZKTPNLQWWVNW-RXMQYKEDSA-N 1 2 234.086 1.220 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2n[nH]cc21 ZINC000358119251 182273897 /nfs/dbraw/zinc/27/38/97/182273897.db2.gz ADFFBHSGNQMSRI-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc[nH]c1C1CC1 ZINC000339954360 182270552 /nfs/dbraw/zinc/27/05/52/182270552.db2.gz AGGXRGKXIWVURB-UHFFFAOYSA-N 1 2 230.271 1.545 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc[nH]c1C1CC1 ZINC000339954360 182270554 /nfs/dbraw/zinc/27/05/54/182270554.db2.gz AGGXRGKXIWVURB-UHFFFAOYSA-N 1 2 230.271 1.545 20 0 BDADLO COCC[C@@H](COC)Nc1[nH+]cccc1OC ZINC000383673811 374316586 /nfs/dbraw/zinc/31/65/86/374316586.db2.gz ABOPJZCTFOANGY-JTQLQIEISA-N 1 2 240.303 1.554 20 0 BDADLO CC(C)c1ncc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000440460496 206079021 /nfs/dbraw/zinc/07/90/21/206079021.db2.gz GQUVAYREVJGLNT-UHFFFAOYSA-N 1 2 245.330 1.955 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451591846 206108747 /nfs/dbraw/zinc/10/87/47/206108747.db2.gz OFDMLYAYNCNEMT-RYUDHWBXSA-N 1 2 245.363 1.713 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N1CCn2cc[nH+]c2C1 ZINC000333388443 182344064 /nfs/dbraw/zinc/34/40/64/182344064.db2.gz LQBLBQXQNRUSKC-JGPRNRPPSA-N 1 2 246.314 1.207 20 0 BDADLO CCn1nncc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000459373508 206124931 /nfs/dbraw/zinc/12/49/31/206124931.db2.gz TYZPAYFGCGEHKN-JTQLQIEISA-N 1 2 238.335 1.297 20 0 BDADLO CCn1nncc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000459373508 206124933 /nfs/dbraw/zinc/12/49/33/206124933.db2.gz TYZPAYFGCGEHKN-JTQLQIEISA-N 1 2 238.335 1.297 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CC1(F)F ZINC000294856877 182374832 /nfs/dbraw/zinc/37/48/32/182374832.db2.gz GRZHSRZOZCDFQG-ZETCQYMHSA-N 1 2 237.209 1.928 20 0 BDADLO O=C(Nc1ccccn1)N1CCn2c[nH+]cc2C1 ZINC000290065597 182382104 /nfs/dbraw/zinc/38/21/04/182382104.db2.gz HZNRFYCHEMWIEF-UHFFFAOYSA-N 1 2 243.270 1.326 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CC1(F)F ZINC000336304871 182392285 /nfs/dbraw/zinc/39/22/85/182392285.db2.gz OGBSCGBOJPKVGL-ZETCQYMHSA-N 1 2 241.241 1.813 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000336893611 170268447 /nfs/dbraw/zinc/26/84/47/170268447.db2.gz KUSUXDRSNADZSN-DTWKUNHWSA-N 1 2 215.293 1.095 20 0 BDADLO OC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000305828573 183028572 /nfs/dbraw/zinc/02/85/72/183028572.db2.gz UHVJLJIMZAENLL-UHFFFAOYSA-N 1 2 226.707 1.692 20 0 BDADLO OC1(c2ccccc2)C[NH+](CC2=CCCOC2)C1 ZINC000291640183 183023548 /nfs/dbraw/zinc/02/35/48/183023548.db2.gz TTWGCCLVKYGUOO-UHFFFAOYSA-N 1 2 245.322 1.537 20 0 BDADLO OCC1CN(c2cc[nH+]c3ccncc32)C1 ZINC000276966140 183041521 /nfs/dbraw/zinc/04/15/21/183041521.db2.gz DXHJEYMGIAEYDN-UHFFFAOYSA-N 1 2 215.256 1.058 20 0 BDADLO OCC1(Nc2cc(NCC3CC3)[nH+]cn2)CCC1 ZINC000329315310 183039752 /nfs/dbraw/zinc/03/97/52/183039752.db2.gz QJIRICHPWXGONX-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO OCC1(Nc2cc(NCC3CC3)nc[nH+]2)CCC1 ZINC000329315310 183039753 /nfs/dbraw/zinc/03/97/53/183039753.db2.gz QJIRICHPWXGONX-UHFFFAOYSA-N 1 2 248.330 1.625 20 0 BDADLO OCCCN(Cc1ccccn1)c1cccc[nH+]1 ZINC000280272183 183054724 /nfs/dbraw/zinc/05/47/24/183054724.db2.gz OYNZRKAHAMUBDF-UHFFFAOYSA-N 1 2 243.310 1.866 20 0 BDADLO OCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292863044 183059480 /nfs/dbraw/zinc/05/94/80/183059480.db2.gz WNIQTTVNBJLTIE-JTQLQIEISA-N 1 2 215.243 1.965 20 0 BDADLO OCC[N@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000194860790 183063814 /nfs/dbraw/zinc/06/38/14/183063814.db2.gz KWMNHNOZEMBRSD-SECBINFHSA-N 1 2 205.248 1.655 20 0 BDADLO OCC[N@@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000194860790 183063816 /nfs/dbraw/zinc/06/38/16/183063816.db2.gz KWMNHNOZEMBRSD-SECBINFHSA-N 1 2 205.248 1.655 20 0 BDADLO OCC[N@H+](CCC1CCOCC1)CC(F)F ZINC000336700946 183065786 /nfs/dbraw/zinc/06/57/86/183065786.db2.gz NTVIIFVTTDRPLL-UHFFFAOYSA-N 1 2 237.290 1.363 20 0 BDADLO OCC[N@@H+](CCC1CCOCC1)CC(F)F ZINC000336700946 183065789 /nfs/dbraw/zinc/06/57/89/183065789.db2.gz NTVIIFVTTDRPLL-UHFFFAOYSA-N 1 2 237.290 1.363 20 0 BDADLO OCCNc1[nH+]ccc2ccc(F)cc21 ZINC000335842032 183080637 /nfs/dbraw/zinc/08/06/37/183080637.db2.gz ZQHDUJNWSFKOOR-UHFFFAOYSA-N 1 2 206.220 1.778 20 0 BDADLO OCCOCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287319066 183084068 /nfs/dbraw/zinc/08/40/68/183084068.db2.gz JXAXUKIUFYWIOD-UHFFFAOYSA-N 1 2 241.718 1.665 20 0 BDADLO OCCOCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287319066 183084070 /nfs/dbraw/zinc/08/40/70/183084070.db2.gz JXAXUKIUFYWIOD-UHFFFAOYSA-N 1 2 241.718 1.665 20 0 BDADLO OCC[C@@H]([NH2+]Cc1nccs1)c1ccco1 ZINC000184500559 183091684 /nfs/dbraw/zinc/09/16/84/183091684.db2.gz VIGGNODCYIIPTL-SECBINFHSA-N 1 2 238.312 1.949 20 0 BDADLO OC[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112966391 183120199 /nfs/dbraw/zinc/12/01/99/183120199.db2.gz MUUUERIHPOSMJH-JTQLQIEISA-N 1 2 219.288 1.315 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)ncc1F ZINC000291500597 183120359 /nfs/dbraw/zinc/12/03/59/183120359.db2.gz VEJYSLIMBMFHFR-VIFPVBQESA-N 1 2 228.242 1.317 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(F)ncc1F ZINC000291500597 183120361 /nfs/dbraw/zinc/12/03/61/183120361.db2.gz VEJYSLIMBMFHFR-VIFPVBQESA-N 1 2 228.242 1.317 20 0 BDADLO OCCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715663 183100783 /nfs/dbraw/zinc/10/07/83/183100783.db2.gz VUOLMYADECDKHE-UHFFFAOYSA-N 1 2 217.272 1.557 20 0 BDADLO OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000271292129 183103150 /nfs/dbraw/zinc/10/31/50/183103150.db2.gz AHDKCPJVODREKO-UHFFFAOYSA-N 1 2 231.177 1.442 20 0 BDADLO OC[C@@H](C[NH2+]Cc1ccn[nH]1)CC1CCCC1 ZINC000341490416 183106603 /nfs/dbraw/zinc/10/66/03/183106603.db2.gz SKAXYANBOFHYSG-GFCCVEGCSA-N 1 2 237.347 1.688 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@H](COC)C(=O)OC ZINC000336675573 169000015 /nfs/dbraw/zinc/00/00/15/169000015.db2.gz BLNUMBNMTTVCMH-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO OC[C@@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000082493719 183109249 /nfs/dbraw/zinc/10/92/49/183109249.db2.gz OUKUDFUDGOZGMQ-LLVKDONJSA-N 1 2 234.324 1.966 20 0 BDADLO OC[C@H]1[C@@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]12 ZINC000368342115 183132167 /nfs/dbraw/zinc/13/21/67/183132167.db2.gz XMHYBXXOKURNDR-BRPSZJMVSA-N 1 2 244.747 1.467 20 0 BDADLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]12 ZINC000368342115 183132170 /nfs/dbraw/zinc/13/21/70/183132170.db2.gz XMHYBXXOKURNDR-BRPSZJMVSA-N 1 2 244.747 1.467 20 0 BDADLO OC[C@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000063000699 183141502 /nfs/dbraw/zinc/14/15/02/183141502.db2.gz UQGZYENQJVPARN-LBPRGKRZSA-N 1 2 234.324 1.966 20 0 BDADLO CCCCc1nc(C[NH2+][C@@H](C)[C@H](C)CO)no1 ZINC000358791396 169025732 /nfs/dbraw/zinc/02/57/32/169025732.db2.gz LEFLKJFVPGNAJT-ZJUUUORDSA-N 1 2 241.335 1.519 20 0 BDADLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](O)C2)n1 ZINC000304126726 169030348 /nfs/dbraw/zinc/03/03/48/169030348.db2.gz UPWZNZXLYIJKAO-ZJUUUORDSA-N 1 2 239.319 1.540 20 0 BDADLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](O)C2)n1 ZINC000304126726 169030350 /nfs/dbraw/zinc/03/03/50/169030350.db2.gz UPWZNZXLYIJKAO-ZJUUUORDSA-N 1 2 239.319 1.540 20 0 BDADLO CCCCc1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351926136 169031424 /nfs/dbraw/zinc/03/14/24/169031424.db2.gz IFRHCGPIFHUKCN-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000351926136 169031427 /nfs/dbraw/zinc/03/14/27/169031427.db2.gz IFRHCGPIFHUKCN-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000086831689 183155083 /nfs/dbraw/zinc/15/50/83/183155083.db2.gz FVKPJCXIJFNHAJ-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000086831689 183155085 /nfs/dbraw/zinc/15/50/85/183155085.db2.gz FVKPJCXIJFNHAJ-GFCCVEGCSA-N 1 2 241.718 1.533 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000287001344 183157339 /nfs/dbraw/zinc/15/73/39/183157339.db2.gz QYAOXVPMXBQTLD-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000287001344 183157342 /nfs/dbraw/zinc/15/73/42/183157342.db2.gz QYAOXVPMXBQTLD-LBPRGKRZSA-N 1 2 242.269 1.517 20 0 BDADLO OC[C@]1(F)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000286239512 183158286 /nfs/dbraw/zinc/15/82/86/183158286.db2.gz BRIBRDMQRYOSJS-ZDUSSCGKSA-N 1 2 249.289 1.864 20 0 BDADLO OCc1ccc(NCc2ccncc2)[nH+]c1 ZINC000336662852 183163535 /nfs/dbraw/zinc/16/35/35/183163535.db2.gz COGUSPLVMBTGJT-UHFFFAOYSA-N 1 2 215.256 1.003 20 0 BDADLO O[C@@H](C[NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000164294270 183178788 /nfs/dbraw/zinc/17/87/88/183178788.db2.gz OYPPCIFKBZBDMK-JTQLQIEISA-N 1 2 223.301 1.294 20 0 BDADLO O[C@@H](CC[N@@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000367839439 183174689 /nfs/dbraw/zinc/17/46/89/183174689.db2.gz ZYGUYUZGUOEUBK-RDBSUJKOSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@@H](CC[N@H+]1CCO[C@H]2C[C@H]21)c1ccccc1 ZINC000367839439 183174692 /nfs/dbraw/zinc/17/46/92/183174692.db2.gz ZYGUYUZGUOEUBK-RDBSUJKOSA-N 1 2 233.311 1.583 20 0 BDADLO O[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000040431685 183194170 /nfs/dbraw/zinc/19/41/70/183194170.db2.gz QLEFFLIVUDWFQV-SECBINFHSA-N 1 2 217.272 1.524 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccccn1 ZINC000050065665 169100550 /nfs/dbraw/zinc/10/05/50/169100550.db2.gz XKMMFIHCVCDLHS-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccccn1 ZINC000050065665 169100552 /nfs/dbraw/zinc/10/05/52/169100552.db2.gz XKMMFIHCVCDLHS-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO O[C@H](C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)C(F)(F)F ZINC000278582201 183222318 /nfs/dbraw/zinc/22/23/18/183222318.db2.gz KEBDWQYGESHIFU-RKDXNWHRSA-N 1 2 249.236 1.470 20 0 BDADLO O[C@H](C[N@H+]1CCC[C@@H]1c1cc[nH]n1)C(F)(F)F ZINC000278582201 183222320 /nfs/dbraw/zinc/22/23/20/183222320.db2.gz KEBDWQYGESHIFU-RKDXNWHRSA-N 1 2 249.236 1.470 20 0 BDADLO CCC[N@H+](C)[C@H](C(=O)OC)c1cccnc1 ZINC000157134782 169085766 /nfs/dbraw/zinc/08/57/66/169085766.db2.gz QEBSWWMPHGPGPK-NSHDSACASA-N 1 2 222.288 1.638 20 0 BDADLO CCC[N@@H+](C)[C@H](C(=O)OC)c1cccnc1 ZINC000157134782 169085768 /nfs/dbraw/zinc/08/57/68/169085768.db2.gz QEBSWWMPHGPGPK-NSHDSACASA-N 1 2 222.288 1.638 20 0 BDADLO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cocn1 ZINC000288570667 183215032 /nfs/dbraw/zinc/21/50/32/183215032.db2.gz NASGMXMXPDPTRW-DGCLKSJQSA-N 1 2 246.266 1.259 20 0 BDADLO O[C@@]1(CNc2ccc3ccccc3[nH+]2)CCOC1 ZINC000229624468 183216708 /nfs/dbraw/zinc/21/67/08/183216708.db2.gz MXTFSWWBVOYERF-CQSZACIVSA-N 1 2 244.294 1.798 20 0 BDADLO O[C@H]1C[NH+](Cc2ccc(F)c(Cl)c2)C[C@@H]1O ZINC000236593103 183243705 /nfs/dbraw/zinc/24/37/05/183243705.db2.gz CPMFETLHNZPDBZ-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1C[NH+](Cc2ccc(Cl)c(F)c2)C[C@@H]1O ZINC000236592711 183244181 /nfs/dbraw/zinc/24/41/81/183244181.db2.gz JTHNCFACQDYDJD-QWRGUYRKSA-N 1 2 245.681 1.017 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000294833059 183245328 /nfs/dbraw/zinc/24/53/28/183245328.db2.gz QEXNZUQPLPCIRT-SNVBAGLBSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000294833059 183245329 /nfs/dbraw/zinc/24/53/29/183245329.db2.gz QEXNZUQPLPCIRT-SNVBAGLBSA-N 1 2 243.253 1.158 20 0 BDADLO O[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000295147322 183247821 /nfs/dbraw/zinc/24/78/21/183247821.db2.gz FNBAUFMISUNPLX-DTORHVGOSA-N 1 2 205.261 1.289 20 0 BDADLO O[C@]1(C2CC2)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000373276409 183250354 /nfs/dbraw/zinc/25/03/54/183250354.db2.gz BWUKHCRLLCIPTL-CYBMUJFWSA-N 1 2 249.314 1.294 20 0 BDADLO O[C@]1(C2CC2)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000373276409 183250355 /nfs/dbraw/zinc/25/03/55/183250355.db2.gz BWUKHCRLLCIPTL-CYBMUJFWSA-N 1 2 249.314 1.294 20 0 BDADLO CCCN(CC(F)F)C(=O)CCn1cc[nH+]c1 ZINC000263824295 169106936 /nfs/dbraw/zinc/10/69/36/169106936.db2.gz ROFIFRBXVPRNAH-UHFFFAOYSA-N 1 2 245.273 1.777 20 0 BDADLO CCCN(CC)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000290774636 169134300 /nfs/dbraw/zinc/13/43/00/169134300.db2.gz MABZGLHYJZMLGI-UHFFFAOYSA-N 1 2 234.307 1.182 20 0 BDADLO CCCN(CCC)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000368470341 169144895 /nfs/dbraw/zinc/14/48/95/169144895.db2.gz MAQDUPCWQRIIFC-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCCN(CCC)C(=O)[C@H]1COCC[N@H+]1CC ZINC000368470341 169144897 /nfs/dbraw/zinc/14/48/97/169144897.db2.gz MAQDUPCWQRIIFC-GFCCVEGCSA-N 1 2 242.363 1.356 20 0 BDADLO CCC[N@H+](CCc1ccccn1)CC(=O)OC ZINC000050065676 169170380 /nfs/dbraw/zinc/17/03/80/169170380.db2.gz SDYPNIIKMRZZGJ-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO CCC[N@@H+](CCc1ccccn1)CC(=O)OC ZINC000050065676 169170382 /nfs/dbraw/zinc/17/03/82/169170382.db2.gz SDYPNIIKMRZZGJ-UHFFFAOYSA-N 1 2 236.315 1.509 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000377602974 183305163 /nfs/dbraw/zinc/30/51/63/183305163.db2.gz OSJIADZYUJNPSU-UHFFFAOYSA-N 1 2 236.319 1.632 20 0 BDADLO CCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000366705034 169191769 /nfs/dbraw/zinc/19/17/69/169191769.db2.gz AFTXBPAQXSOLFS-UHFFFAOYSA-N 1 2 210.281 1.100 20 0 BDADLO CCCN1CCC[N@H+](Cc2ccco2)CC1=O ZINC000189214572 169192475 /nfs/dbraw/zinc/19/24/75/169192475.db2.gz FGEDHEYLADZZQQ-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO CCCN1CCC[N@@H+](Cc2ccco2)CC1=O ZINC000189214572 169192476 /nfs/dbraw/zinc/19/24/76/169192476.db2.gz FGEDHEYLADZZQQ-UHFFFAOYSA-N 1 2 236.315 1.724 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2cc[nH]n2)[nH]1 ZINC000336401641 183327951 /nfs/dbraw/zinc/32/79/51/183327951.db2.gz JQQDRPVPRVSMKQ-JTQLQIEISA-N 1 2 217.276 1.470 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000184584465 169227886 /nfs/dbraw/zinc/22/78/86/169227886.db2.gz BFSFDSFBLLHUED-JTQLQIEISA-N 1 2 240.303 1.083 20 0 BDADLO c1cc(N[C@@H]2CCCOC2)nc(C2CC2)[nH+]1 ZINC000264724976 183359331 /nfs/dbraw/zinc/35/93/31/183359331.db2.gz ICGCUMFLMGOFED-SNVBAGLBSA-N 1 2 219.288 1.945 20 0 BDADLO c1cc(OCc2nnc3n2CCCCC3)cc[nH+]1 ZINC000292573603 183359466 /nfs/dbraw/zinc/35/94/66/183359466.db2.gz ZBPMLVSLTIWXTI-UHFFFAOYSA-N 1 2 244.298 1.979 20 0 BDADLO c1cn(-c2cccc(N[C@@H]3CCSC3)n2)c[nH+]1 ZINC000376527281 183335382 /nfs/dbraw/zinc/33/53/82/183335382.db2.gz OONOGIKISVBCHY-SNVBAGLBSA-N 1 2 246.339 1.607 20 0 BDADLO c1nc(C[NH2+]C2COC2)c(-c2ccccc2)o1 ZINC000376861444 183385473 /nfs/dbraw/zinc/38/54/73/183385473.db2.gz SREHWIDMWOQOMR-UHFFFAOYSA-N 1 2 230.267 1.830 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000265975747 169299742 /nfs/dbraw/zinc/29/97/42/169299742.db2.gz BJJHOXSOVVEGDA-MNOVXSKESA-N 1 2 239.319 1.203 20 0 BDADLO CCCOCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357951571 169310504 /nfs/dbraw/zinc/31/05/04/169310504.db2.gz RCOLVOUHQXVWLS-UHFFFAOYSA-N 1 2 236.275 1.321 20 0 BDADLO CCCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341996753 169340854 /nfs/dbraw/zinc/34/08/54/169340854.db2.gz FBQAGWFGZVWPSY-LLVKDONJSA-N 1 2 244.404 1.682 20 0 BDADLO CCCSCC(=O)NCc1c[nH+]c[nH]1 ZINC000359689408 169337462 /nfs/dbraw/zinc/33/74/62/169337462.db2.gz CZMUMCROXFZRRD-UHFFFAOYSA-N 1 2 213.306 1.169 20 0 BDADLO CCCSCC(=O)NCc1c[nH]c[nH+]1 ZINC000359689408 169337464 /nfs/dbraw/zinc/33/74/64/169337464.db2.gz CZMUMCROXFZRRD-UHFFFAOYSA-N 1 2 213.306 1.169 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1ccco1 ZINC000222034151 134329265 /nfs/dbraw/zinc/32/92/65/134329265.db2.gz APUYIJYVNJJMEB-VIFPVBQESA-N 1 2 220.276 1.742 20 0 BDADLO CCOCC[N@H+](C)Cc1nccn1CC ZINC000181005969 134332894 /nfs/dbraw/zinc/33/28/94/134332894.db2.gz OVWDKMTXRUSRTJ-UHFFFAOYSA-N 1 2 211.309 1.371 20 0 BDADLO CCOCC[N@@H+](C)Cc1nccn1CC ZINC000181005969 134332895 /nfs/dbraw/zinc/33/28/95/134332895.db2.gz OVWDKMTXRUSRTJ-UHFFFAOYSA-N 1 2 211.309 1.371 20 0 BDADLO CC(C)c1nc(C[N@H+](C)CCCCCO)no1 ZINC000227119668 134373182 /nfs/dbraw/zinc/37/31/82/134373182.db2.gz QOBCBTUVQROKSF-UHFFFAOYSA-N 1 2 241.335 1.787 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)CCCCCO)no1 ZINC000227119668 134373183 /nfs/dbraw/zinc/37/31/83/134373183.db2.gz QOBCBTUVQROKSF-UHFFFAOYSA-N 1 2 241.335 1.787 20 0 BDADLO Nc1ccc(NC(=O)[C@H]2CCCS2)c[nH+]1 ZINC000069986803 383855195 /nfs/dbraw/zinc/85/51/95/383855195.db2.gz XLTFXWCPPLVUAI-MRVPVSSYSA-N 1 2 223.301 1.498 20 0 BDADLO CCC(CC)[C@@H](O)C[NH2+]Cc1cn[nH]c1C ZINC000111404132 383861824 /nfs/dbraw/zinc/86/18/24/383861824.db2.gz XIPKADMYNJQHNI-LBPRGKRZSA-N 1 2 225.336 1.605 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccccn1 ZINC000066666169 383876094 /nfs/dbraw/zinc/87/60/94/383876094.db2.gz YHSUJQPJWCIAET-LBPRGKRZSA-N 1 2 233.315 1.038 20 0 BDADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccccn1 ZINC000066666169 383876102 /nfs/dbraw/zinc/87/61/02/383876102.db2.gz YHSUJQPJWCIAET-LBPRGKRZSA-N 1 2 233.315 1.038 20 0 BDADLO C[C@H]1C[N@H+](Cc2nncn2C)CCC1(F)F ZINC000518445007 383877635 /nfs/dbraw/zinc/87/76/35/383877635.db2.gz YQOJCCDAFBGRRO-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nncn2C)CCC1(F)F ZINC000518445007 383877637 /nfs/dbraw/zinc/87/76/37/383877637.db2.gz YQOJCCDAFBGRRO-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO CCCn1ncnc1C[NH2+][C@H](C)c1ccccn1 ZINC000088589312 383915519 /nfs/dbraw/zinc/91/55/19/383915519.db2.gz LEGMFDIXSRNMRW-LLVKDONJSA-N 1 2 245.330 1.934 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccncc1 ZINC000036901569 383916839 /nfs/dbraw/zinc/91/68/39/383916839.db2.gz UXPKRKXAEKXZBB-SECBINFHSA-N 1 2 216.288 1.964 20 0 BDADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCOC1 ZINC000069353545 383919085 /nfs/dbraw/zinc/91/90/85/383919085.db2.gz UXUWHGKXMUUINC-VIFPVBQESA-N 1 2 235.287 1.123 20 0 BDADLO COC(=O)[C@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000112555093 383931906 /nfs/dbraw/zinc/93/19/06/383931906.db2.gz VQQUQUPDLOACPV-MRVPVSSYSA-N 1 2 235.287 1.575 20 0 BDADLO Cc1cc(NC(=O)c2c[nH]cc(C)c2=O)cc[nH+]1 ZINC000358551855 383886295 /nfs/dbraw/zinc/88/62/95/383886295.db2.gz CFVNHRBNDRLLEO-UHFFFAOYSA-N 1 2 243.266 1.061 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000066864540 383896648 /nfs/dbraw/zinc/89/66/48/383896648.db2.gz FLUDBKMGCIORMJ-GFCCVEGCSA-N 1 2 249.358 1.781 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000066864540 383896653 /nfs/dbraw/zinc/89/66/53/383896653.db2.gz FLUDBKMGCIORMJ-GFCCVEGCSA-N 1 2 249.358 1.781 20 0 BDADLO CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000071435607 383992695 /nfs/dbraw/zinc/99/26/95/383992695.db2.gz BPSPHFKODGUDCV-UHFFFAOYSA-N 1 2 203.245 1.279 20 0 BDADLO O[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000518488531 383947737 /nfs/dbraw/zinc/94/77/37/383947737.db2.gz BTDZJFWVSSWLPN-JTQLQIEISA-N 1 2 234.303 1.234 20 0 BDADLO O[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000518488531 383947748 /nfs/dbraw/zinc/94/77/48/383947748.db2.gz BTDZJFWVSSWLPN-JTQLQIEISA-N 1 2 234.303 1.234 20 0 BDADLO COC(=O)[C@@H](CNc1cc[nH+]c(C)n1)CC1CC1 ZINC000569369280 383957083 /nfs/dbraw/zinc/95/70/83/383957083.db2.gz XBLIJIGOGGKZNC-LLVKDONJSA-N 1 2 249.314 1.208 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)n2)c2nccn21 ZINC000345359088 383959238 /nfs/dbraw/zinc/95/92/38/383959238.db2.gz WZOKZMUQZSRIFJ-KOLCDFICSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@@H]1C[C@H](NCc2ccn(C)n2)c2[nH+]ccn21 ZINC000345359088 383959243 /nfs/dbraw/zinc/95/92/43/383959243.db2.gz WZOKZMUQZSRIFJ-KOLCDFICSA-N 1 2 231.303 1.412 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1ncoc1C1CC1 ZINC000293744308 383960308 /nfs/dbraw/zinc/96/03/08/383960308.db2.gz SNLQJSHSTCYLRF-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000113162680 383971288 /nfs/dbraw/zinc/97/12/88/383971288.db2.gz CRTKAYHVTHZQAS-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000113162680 383971297 /nfs/dbraw/zinc/97/12/97/383971297.db2.gz CRTKAYHVTHZQAS-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)C(F)F ZINC000449359004 383973723 /nfs/dbraw/zinc/97/37/23/383973723.db2.gz HCHVURZIQJQXFX-HTQZYQBOSA-N 1 2 243.319 1.443 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000075776906 384049267 /nfs/dbraw/zinc/04/92/67/384049267.db2.gz XILFKWCVEKMTPS-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000075776906 384049271 /nfs/dbraw/zinc/04/92/71/384049271.db2.gz XILFKWCVEKMTPS-MRVPVSSYSA-N 1 2 231.727 1.276 20 0 BDADLO Cc1cc(C(=O)N2CC[NH+](C)CC2)sc1C ZINC000070242507 384089963 /nfs/dbraw/zinc/08/99/63/384089963.db2.gz NAXHNSNPQYMLIJ-UHFFFAOYSA-N 1 2 238.356 1.753 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)OCc1ccccc1 ZINC000090582232 384061433 /nfs/dbraw/zinc/06/14/33/384061433.db2.gz QQCYUHQNFPTTEB-UHFFFAOYSA-N 1 2 217.272 1.973 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000310131522 384063941 /nfs/dbraw/zinc/06/39/41/384063941.db2.gz YGHYPWQHVMYNNA-SRVKXCTJSA-N 1 2 243.347 1.731 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000077901431 384074220 /nfs/dbraw/zinc/07/42/20/384074220.db2.gz VNUMLHVWAGFYMG-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000077901431 384074229 /nfs/dbraw/zinc/07/42/29/384074229.db2.gz VNUMLHVWAGFYMG-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)C(=O)OC ZINC000308738691 384097876 /nfs/dbraw/zinc/09/78/76/384097876.db2.gz NBPBRGZINCRPDO-CIUDSAMLSA-N 1 2 203.257 1.418 20 0 BDADLO CC(=O)NCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000116259955 384125692 /nfs/dbraw/zinc/12/56/92/384125692.db2.gz KFHIMTHJNPRGIN-UHFFFAOYSA-N 1 2 248.330 1.601 20 0 BDADLO COCc1ccc(C[N@@H+]2CCOC[C@H]2C)o1 ZINC000091800588 384148098 /nfs/dbraw/zinc/14/80/98/384148098.db2.gz XGIGISWJECMNIJ-SNVBAGLBSA-N 1 2 225.288 1.647 20 0 BDADLO COCc1ccc(C[N@H+]2CCOC[C@H]2C)o1 ZINC000091800588 384148103 /nfs/dbraw/zinc/14/81/03/384148103.db2.gz XGIGISWJECMNIJ-SNVBAGLBSA-N 1 2 225.288 1.647 20 0 BDADLO Cc1[nH]ncc1C[NH2+]Cc1ccn(C)c1 ZINC000080794522 384175046 /nfs/dbraw/zinc/17/50/46/384175046.db2.gz VICVWYOQKBDCFH-UHFFFAOYSA-N 1 2 204.277 1.346 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000092487422 384181168 /nfs/dbraw/zinc/18/11/68/384181168.db2.gz LXNZLBMXGSJSNE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H](C)O1 ZINC000092487422 384181172 /nfs/dbraw/zinc/18/11/72/384181172.db2.gz LXNZLBMXGSJSNE-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370391464 384184177 /nfs/dbraw/zinc/18/41/77/384184177.db2.gz QYPVFKRPVPDHMX-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1cc[nH+]c1CSc1nccn1C ZINC000071940126 384188674 /nfs/dbraw/zinc/18/86/74/384188674.db2.gz WUUJFYVGFMCTJJ-UHFFFAOYSA-N 1 2 208.290 1.446 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cccc(Cl)c2)n1 ZINC000092851840 384196612 /nfs/dbraw/zinc/19/66/12/384196612.db2.gz AEPHNBBZNPCALD-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000093384916 384232358 /nfs/dbraw/zinc/23/23/58/384232358.db2.gz UHPSCSVLDLAUPB-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000093384916 384232360 /nfs/dbraw/zinc/23/23/60/384232360.db2.gz UHPSCSVLDLAUPB-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO COC(=O)[C@@H](C)SCc1[nH+]ccn1C ZINC000158457694 384234074 /nfs/dbraw/zinc/23/40/74/384234074.db2.gz PJKOSKXFZFEGED-SSDOTTSWSA-N 1 2 214.290 1.215 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000132633959 384241229 /nfs/dbraw/zinc/24/12/29/384241229.db2.gz DNQXMHSZMAPEQX-CYBMUJFWSA-N 1 2 247.342 1.523 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000132633959 384241232 /nfs/dbraw/zinc/24/12/32/384241232.db2.gz DNQXMHSZMAPEQX-CYBMUJFWSA-N 1 2 247.342 1.523 20 0 BDADLO C[C@@]1(O)CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295044482 384238776 /nfs/dbraw/zinc/23/87/76/384238776.db2.gz OCJCUAZSHFHCOC-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295044482 384238784 /nfs/dbraw/zinc/23/87/84/384238784.db2.gz OCJCUAZSHFHCOC-SECBINFHSA-N 1 2 232.736 1.753 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)o1 ZINC000336598649 384208585 /nfs/dbraw/zinc/20/85/85/384208585.db2.gz YDLQWIJVNWVBNC-WCBMZHEXSA-N 1 2 243.257 1.855 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)o1 ZINC000336598649 384208589 /nfs/dbraw/zinc/20/85/89/384208589.db2.gz YDLQWIJVNWVBNC-WCBMZHEXSA-N 1 2 243.257 1.855 20 0 BDADLO CC(C)([NH2+]CC(=O)NC1CC1)c1nccs1 ZINC000118847614 384215469 /nfs/dbraw/zinc/21/54/69/384215469.db2.gz XYFDVKRZFBACGV-UHFFFAOYSA-N 1 2 239.344 1.246 20 0 BDADLO CCOC(=O)C[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC000132257769 384222286 /nfs/dbraw/zinc/22/22/86/384222286.db2.gz COJXVLLMWSFAMP-SECBINFHSA-N 1 2 237.303 1.786 20 0 BDADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)cc1 ZINC000158581691 384247208 /nfs/dbraw/zinc/24/72/08/384247208.db2.gz DSCRRZKOBKCTFX-STQMWFEESA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)cc1 ZINC000158581691 384247213 /nfs/dbraw/zinc/24/72/13/384247213.db2.gz DSCRRZKOBKCTFX-STQMWFEESA-N 1 2 249.310 1.103 20 0 BDADLO c1cc(C[NH2+]CCOc2ccccc2)[nH]n1 ZINC000042894994 384249976 /nfs/dbraw/zinc/24/99/76/384249976.db2.gz GLJIUGNVQRDEQA-UHFFFAOYSA-N 1 2 217.272 1.578 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1CF ZINC000292672534 384257163 /nfs/dbraw/zinc/25/71/63/384257163.db2.gz DBYVQZQPTRPKTP-QMMMGPOBSA-N 1 2 235.266 1.302 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cn[nH]c1 ZINC000235522538 384261672 /nfs/dbraw/zinc/26/16/72/384261672.db2.gz DLFDYAWYZKAYHO-VIFPVBQESA-N 1 2 248.334 1.607 20 0 BDADLO COC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000082777030 384266114 /nfs/dbraw/zinc/26/61/14/384266114.db2.gz LHWRLRSDTZARIU-BDAKNGLRSA-N 1 2 217.309 1.341 20 0 BDADLO COC1CCC(CNc2cc(C)[nH+]cn2)CC1 ZINC000426892039 384304499 /nfs/dbraw/zinc/30/44/99/384304499.db2.gz TYCUMFZNSZRLDC-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000094666900 384311877 /nfs/dbraw/zinc/31/18/77/384311877.db2.gz VQQJYIXQCKPNOJ-UHFFFAOYSA-N 1 2 230.271 1.982 20 0 BDADLO Cc1nc(N[C@H]2CCCC2(C)C)nc(N)[nH+]1 ZINC000304445352 384312565 /nfs/dbraw/zinc/31/25/65/384312565.db2.gz IUISKYMPFLZPJC-QMMMGPOBSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCCC2(C)C)[nH+]1 ZINC000304445352 384312570 /nfs/dbraw/zinc/31/25/70/384312570.db2.gz IUISKYMPFLZPJC-QMMMGPOBSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N2CCSC(C)(C)C2)nc(N)[nH+]1 ZINC000304460454 384322644 /nfs/dbraw/zinc/32/26/44/384322644.db2.gz MDDFPCZBIDNIDK-UHFFFAOYSA-N 1 2 239.348 1.094 20 0 BDADLO Cc1nc(N)nc(N2CCSC(C)(C)C2)[nH+]1 ZINC000304460454 384322647 /nfs/dbraw/zinc/32/26/47/384322647.db2.gz MDDFPCZBIDNIDK-UHFFFAOYSA-N 1 2 239.348 1.094 20 0 BDADLO Cn1nccc1C[NH+]1Cc2ccccc2C1 ZINC000119966471 384322672 /nfs/dbraw/zinc/32/26/72/384322672.db2.gz AWAUWJIBJMIJBW-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2csnn2)CC1 ZINC000308825556 384317289 /nfs/dbraw/zinc/31/72/89/384317289.db2.gz SAMHMNWSVVRNHS-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2csnn2)CC1 ZINC000308825556 384317295 /nfs/dbraw/zinc/31/72/95/384317295.db2.gz SAMHMNWSVVRNHS-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000158872057 384282610 /nfs/dbraw/zinc/28/26/10/384282610.db2.gz ZQRKXCNWCNAQJJ-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000158872057 384282615 /nfs/dbraw/zinc/28/26/15/384282615.db2.gz ZQRKXCNWCNAQJJ-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@@H](CCO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000119550497 384284878 /nfs/dbraw/zinc/28/48/78/384284878.db2.gz RFGFRXRHRILVNM-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO C[C@@H](CCO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000119550497 384284884 /nfs/dbraw/zinc/28/48/84/384284884.db2.gz RFGFRXRHRILVNM-VIFPVBQESA-N 1 2 236.319 1.481 20 0 BDADLO C[C@H](CO)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000158990616 384296205 /nfs/dbraw/zinc/29/62/05/384296205.db2.gz PSCYATFADWSVSF-SSDOTTSWSA-N 1 2 234.221 1.917 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000094424139 384302532 /nfs/dbraw/zinc/30/25/32/384302532.db2.gz MRSVOPUCXXHUHY-ZJUUUORDSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@](C)(O)C1 ZINC000120360918 384350019 /nfs/dbraw/zinc/35/00/19/384350019.db2.gz RVZSYPHFHRKWQN-CYBMUJFWSA-N 1 2 249.314 1.769 20 0 BDADLO Cc1cc(N)nc(S[C@@H](C(N)=O)C(C)C)[nH+]1 ZINC000330364390 384375016 /nfs/dbraw/zinc/37/50/16/384375016.db2.gz LXOYLHDGFNYDIN-MRVPVSSYSA-N 1 2 240.332 1.850 20 0 BDADLO CC(=O)CSCC[N@H+]1CCOC[C@H]1C ZINC000560806861 384361495 /nfs/dbraw/zinc/36/14/95/384361495.db2.gz KRIAXIBEWYCINJ-SECBINFHSA-N 1 2 217.334 1.029 20 0 BDADLO CC(=O)CSCC[N@@H+]1CCOC[C@H]1C ZINC000560806861 384361498 /nfs/dbraw/zinc/36/14/98/384361498.db2.gz KRIAXIBEWYCINJ-SECBINFHSA-N 1 2 217.334 1.029 20 0 BDADLO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)OC ZINC000300383771 384363211 /nfs/dbraw/zinc/36/32/11/384363211.db2.gz IEQZYTGBTRURBG-IVZWLZJFSA-N 1 2 231.361 1.812 20 0 BDADLO CC[C@@H](CCO)CNc1[nH+]cnc2c1cnn2C ZINC000094957363 384324550 /nfs/dbraw/zinc/32/45/50/384324550.db2.gz LJHLMGFTXDSXPO-VIFPVBQESA-N 1 2 249.318 1.184 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000248910566 384415133 /nfs/dbraw/zinc/41/51/33/384415133.db2.gz QSSFYWVMJSTBSF-KOLCDFICSA-N 1 2 236.315 1.710 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000248910566 384415139 /nfs/dbraw/zinc/41/51/39/384415139.db2.gz QSSFYWVMJSTBSF-KOLCDFICSA-N 1 2 236.315 1.710 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc[nH]n2)C[C@@H]1C ZINC000248908828 384416144 /nfs/dbraw/zinc/41/61/44/384416144.db2.gz QDUAPSUWVJQSJM-GXSJLCMTSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1C ZINC000248908828 384416149 /nfs/dbraw/zinc/41/61/49/384416149.db2.gz QDUAPSUWVJQSJM-GXSJLCMTSA-N 1 2 237.303 1.041 20 0 BDADLO Cc1nc(NCC2(C(C)C)CC2)nc(N)[nH+]1 ZINC000304567856 384417080 /nfs/dbraw/zinc/41/70/80/384417080.db2.gz ZNEQNQGEEWZCLR-UHFFFAOYSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NCC2(C(C)C)CC2)[nH+]1 ZINC000304567856 384417087 /nfs/dbraw/zinc/41/70/87/384417087.db2.gz ZNEQNQGEEWZCLR-UHFFFAOYSA-N 1 2 221.308 1.610 20 0 BDADLO CCC1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000304568755 384417358 /nfs/dbraw/zinc/41/73/58/384417358.db2.gz ZQBGFCFMOWDBET-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO CCC1CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000304568755 384417362 /nfs/dbraw/zinc/41/73/62/384417362.db2.gz ZQBGFCFMOWDBET-UHFFFAOYSA-N 1 2 221.308 1.389 20 0 BDADLO COC[C@H](NC(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000121483740 384418719 /nfs/dbraw/zinc/41/87/19/384418719.db2.gz RDUFUOGUOHYTQE-LBPRGKRZSA-N 1 2 249.314 1.937 20 0 BDADLO CC[C@H]1CCCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000302628427 384423031 /nfs/dbraw/zinc/42/30/31/384423031.db2.gz PSNWOXARZBAYDW-JTQLQIEISA-N 1 2 235.335 1.779 20 0 BDADLO CC[C@H]1CCCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000302628427 384423036 /nfs/dbraw/zinc/42/30/36/384423036.db2.gz PSNWOXARZBAYDW-JTQLQIEISA-N 1 2 235.335 1.779 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C)c1 ZINC000078601956 384451840 /nfs/dbraw/zinc/45/18/40/384451840.db2.gz XRWIACKXVRNAHY-OLZOCXBDSA-N 1 2 249.310 1.103 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(C)c1 ZINC000078601956 384451844 /nfs/dbraw/zinc/45/18/44/384451844.db2.gz XRWIACKXVRNAHY-OLZOCXBDSA-N 1 2 249.310 1.103 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CCO ZINC000121849633 384442757 /nfs/dbraw/zinc/44/27/57/384442757.db2.gz OBFCXVAOPSVDLO-SECBINFHSA-N 1 2 223.276 1.282 20 0 BDADLO CCOCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000078798862 384465033 /nfs/dbraw/zinc/46/50/33/384465033.db2.gz LQMIYJDNFVJTHS-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO COc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000561060884 384470004 /nfs/dbraw/zinc/47/00/04/384470004.db2.gz QBYWDLHQQWPXSO-UHFFFAOYSA-N 1 2 248.326 1.976 20 0 BDADLO COC(=O)[C@H](C)CSCCCn1cc[nH+]c1 ZINC000085161921 384507225 /nfs/dbraw/zinc/50/72/25/384507225.db2.gz AKRZDLLFFMSAOE-SNVBAGLBSA-N 1 2 242.344 1.816 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)NCC1CC1 ZINC000136961410 384516171 /nfs/dbraw/zinc/51/61/71/384516171.db2.gz RQDGRFUYLOEXQO-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO C[C@H](C(=O)N(C)CC(F)(F)F)[NH+]1CC(C)C1 ZINC000561144895 384523659 /nfs/dbraw/zinc/52/36/59/384523659.db2.gz QSKIOHXWVSBZEI-MRVPVSSYSA-N 1 2 238.253 1.347 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Cl)o1 ZINC000123080966 384533488 /nfs/dbraw/zinc/53/34/88/384533488.db2.gz HTIKEHNTCJKKCL-UHFFFAOYSA-N 1 2 239.662 1.629 20 0 BDADLO C[C@@H](C[N@H+](C)[C@@H]1CCOC1=O)c1nccs1 ZINC000183951442 384542535 /nfs/dbraw/zinc/54/25/35/384542535.db2.gz FSXXQLOXWACCOF-DTWKUNHWSA-N 1 2 240.328 1.494 20 0 BDADLO C[C@@H](C[N@@H+](C)[C@@H]1CCOC1=O)c1nccs1 ZINC000183951442 384542544 /nfs/dbraw/zinc/54/25/44/384542544.db2.gz FSXXQLOXWACCOF-DTWKUNHWSA-N 1 2 240.328 1.494 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123387874 384555499 /nfs/dbraw/zinc/55/54/99/384555499.db2.gz MHHCDBIWLQJLPZ-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123387874 384555508 /nfs/dbraw/zinc/55/55/08/384555508.db2.gz MHHCDBIWLQJLPZ-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCC[C@](C)([NH2+]Cc1cccn1C)C(=O)OC ZINC000184047211 384555877 /nfs/dbraw/zinc/55/58/77/384555877.db2.gz DUFIJJFLTFDYKR-ZDUSSCGKSA-N 1 2 238.331 1.847 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCC(C)(C)O)no1 ZINC000309714877 384556012 /nfs/dbraw/zinc/55/60/12/384556012.db2.gz SLKKLBRHGSQBBS-UHFFFAOYSA-N 1 2 227.308 1.364 20 0 BDADLO O=C(COCC1CC1)Nc1c[nH+]c2n1CCCC2 ZINC000517862682 384537093 /nfs/dbraw/zinc/53/70/93/384537093.db2.gz LECAFMLXQRTSEM-UHFFFAOYSA-N 1 2 249.314 1.585 20 0 BDADLO O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000569609527 384540393 /nfs/dbraw/zinc/54/03/93/384540393.db2.gz RNYBAUOMSGTXGT-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO O[C@@H]1CCCC[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000569609527 384540400 /nfs/dbraw/zinc/54/04/00/384540400.db2.gz RNYBAUOMSGTXGT-GHMZBOCLSA-N 1 2 249.301 1.505 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1 ZINC000050048255 384588112 /nfs/dbraw/zinc/58/81/12/384588112.db2.gz WSZPYTHRWQFAGY-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OC)c1 ZINC000050048255 384588115 /nfs/dbraw/zinc/58/81/15/384588115.db2.gz WSZPYTHRWQFAGY-CYBMUJFWSA-N 1 2 249.310 1.833 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000561270102 384612447 /nfs/dbraw/zinc/61/24/47/384612447.db2.gz OVNBYXHGTBZXNH-GRYCIOLGSA-N 1 2 247.342 1.560 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000172661725 384616969 /nfs/dbraw/zinc/61/69/69/384616969.db2.gz AEGHQYMHSQSTMP-UHFFFAOYSA-N 1 2 232.327 1.523 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000172661725 384616975 /nfs/dbraw/zinc/61/69/75/384616975.db2.gz AEGHQYMHSQSTMP-UHFFFAOYSA-N 1 2 232.327 1.523 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cnc(C)s2)CCO1 ZINC000172880602 384631625 /nfs/dbraw/zinc/63/16/25/384631625.db2.gz VMDQZKODQZJHFM-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cnc(C)s2)CCO1 ZINC000172880602 384631636 /nfs/dbraw/zinc/63/16/36/384631636.db2.gz VMDQZKODQZJHFM-SNVBAGLBSA-N 1 2 242.344 1.299 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1cnccn1 ZINC000080965909 384596340 /nfs/dbraw/zinc/59/63/40/384596340.db2.gz ZLIWFXUSXDWNTF-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1cnccn1 ZINC000080965909 384596347 /nfs/dbraw/zinc/59/63/47/384596347.db2.gz ZLIWFXUSXDWNTF-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)C[C@H]1CCCO1 ZINC000517962712 384597789 /nfs/dbraw/zinc/59/77/89/384597789.db2.gz YYEIACALTYOCMO-ZYHUDNBSSA-N 1 2 235.331 1.885 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccncc1F ZINC000309777607 384601310 /nfs/dbraw/zinc/60/13/10/384601310.db2.gz MAMVPUNHCGFOBN-MRVPVSSYSA-N 1 2 220.251 1.795 20 0 BDADLO C[C@@H](NCc1[nH]cc[nH+]1)c1ccncc1F ZINC000309777607 384601317 /nfs/dbraw/zinc/60/13/17/384601317.db2.gz MAMVPUNHCGFOBN-MRVPVSSYSA-N 1 2 220.251 1.795 20 0 BDADLO Cc1nc(NCc2ncccc2O)cc[nH+]1 ZINC000309852382 384670048 /nfs/dbraw/zinc/67/00/48/384670048.db2.gz JIDNRFODQRRTPB-UHFFFAOYSA-N 1 2 216.244 1.498 20 0 BDADLO CCCC[N@H+](CCO)Cc1nc(C(C)C)no1 ZINC000047868510 384670108 /nfs/dbraw/zinc/67/01/08/384670108.db2.gz WISULKNTVCJLCW-UHFFFAOYSA-N 1 2 241.335 1.787 20 0 BDADLO CCCC[N@@H+](CCO)Cc1nc(C(C)C)no1 ZINC000047868510 384670118 /nfs/dbraw/zinc/67/01/18/384670118.db2.gz WISULKNTVCJLCW-UHFFFAOYSA-N 1 2 241.335 1.787 20 0 BDADLO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000041015578 384635562 /nfs/dbraw/zinc/63/55/62/384635562.db2.gz JYFPZPIIVCFJED-MNOVXSKESA-N 1 2 209.293 1.457 20 0 BDADLO Cc1cnc(C[NH2+][C@@H](C)c2cn[nH]c2)nc1 ZINC000309817457 384636831 /nfs/dbraw/zinc/63/68/31/384636831.db2.gz VPHUPVVYMVNROZ-VIFPVBQESA-N 1 2 217.276 1.359 20 0 BDADLO C[C@@H](CCc1ccco1)[NH2+]CC(F)(F)CO ZINC000184695241 384637260 /nfs/dbraw/zinc/63/72/60/384637260.db2.gz PCGJFIFCXGIRNV-VIFPVBQESA-N 1 2 233.258 1.818 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)CO)c1cccc(CO)c1 ZINC000184696236 384638379 /nfs/dbraw/zinc/63/83/79/384638379.db2.gz AZCIQVMPQAYATE-SECBINFHSA-N 1 2 245.269 1.457 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000428467383 384649089 /nfs/dbraw/zinc/64/90/89/384649089.db2.gz YKIFRUMSEZTGKU-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccoc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000428467383 384649092 /nfs/dbraw/zinc/64/90/92/384649092.db2.gz YKIFRUMSEZTGKU-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000043627864 384649273 /nfs/dbraw/zinc/64/92/73/384649273.db2.gz OFMSMWIPZPUCPD-IUCAKERBSA-N 1 2 227.329 1.830 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2nccs2)c[nH+]1 ZINC000082268209 384657014 /nfs/dbraw/zinc/65/70/14/384657014.db2.gz NEOFAYLAWBWSJX-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000497172574 384659547 /nfs/dbraw/zinc/65/95/47/384659547.db2.gz MHIBTNCKQWKZNH-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cnccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000497172574 384659556 /nfs/dbraw/zinc/65/95/56/384659556.db2.gz MHIBTNCKQWKZNH-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1c(C[NH2+]Cc2cscn2)cnn1C ZINC000086552100 384662298 /nfs/dbraw/zinc/66/22/98/384662298.db2.gz SLXDAWGDUXBURA-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO COc1cc(C)[nH+]c(CNCC(F)F)c1 ZINC000125967874 384723620 /nfs/dbraw/zinc/72/36/20/384723620.db2.gz GKFQYYWMXTXRFS-UHFFFAOYSA-N 1 2 216.231 1.753 20 0 BDADLO COC(=O)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000173496702 384686004 /nfs/dbraw/zinc/68/60/04/384686004.db2.gz JGUPQUGHXYUGAB-UHFFFAOYSA-N 1 2 238.287 1.368 20 0 BDADLO Cc1cscc1C(=O)NCc1[nH]cc[nH+]1 ZINC000086795676 384691803 /nfs/dbraw/zinc/69/18/03/384691803.db2.gz LOVMGWMURYHZNI-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO CC(C)c1nc(N2C[C@@H]3COC[C@@H]3C2)cc[nH+]1 ZINC000367417529 384695965 /nfs/dbraw/zinc/69/59/65/384695965.db2.gz HAUAPRYDIPSHKB-PHIMTYICSA-N 1 2 233.315 1.683 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)OC(C)(C)C ZINC000082609807 384696538 /nfs/dbraw/zinc/69/65/38/384696538.db2.gz PNVFBBURKLMEOB-UHFFFAOYSA-N 1 2 225.292 1.787 20 0 BDADLO CC(C)COCC[NH2+][C@H](C)c1ncn(C)n1 ZINC000309662807 384698305 /nfs/dbraw/zinc/69/83/05/384698305.db2.gz GODTVLKWQKWYKU-SNVBAGLBSA-N 1 2 226.324 1.138 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000052102443 384717518 /nfs/dbraw/zinc/71/75/18/384717518.db2.gz JKKZCEDKRXVOQJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000052102443 384717527 /nfs/dbraw/zinc/71/75/27/384717527.db2.gz JKKZCEDKRXVOQJ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](CO)c1ccsc1 ZINC000309922413 384717945 /nfs/dbraw/zinc/71/79/45/384717945.db2.gz SWEFRTUNMNSLJA-NSHDSACASA-N 1 2 237.328 1.603 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000309922413 384717948 /nfs/dbraw/zinc/71/79/48/384717948.db2.gz SWEFRTUNMNSLJA-NSHDSACASA-N 1 2 237.328 1.603 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](CO)c1ccsc1 ZINC000309922412 384718714 /nfs/dbraw/zinc/71/87/14/384718714.db2.gz SWEFRTUNMNSLJA-LLVKDONJSA-N 1 2 237.328 1.603 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](CO)c1ccsc1 ZINC000309922412 384718720 /nfs/dbraw/zinc/71/87/20/384718720.db2.gz SWEFRTUNMNSLJA-LLVKDONJSA-N 1 2 237.328 1.603 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)C(=O)NCCF)cs1 ZINC000282537643 384735053 /nfs/dbraw/zinc/73/50/53/384735053.db2.gz BXOYGKYODMXGFU-ZETCQYMHSA-N 1 2 245.323 1.015 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCO)C2 ZINC000058011774 384742189 /nfs/dbraw/zinc/74/21/89/384742189.db2.gz FISWMSFHXWUWGX-UHFFFAOYSA-N 1 2 219.284 1.587 20 0 BDADLO CC(=O)c1ccc2c(c1)C[N@H+](CCCO)C2 ZINC000058011774 384742200 /nfs/dbraw/zinc/74/22/00/384742200.db2.gz FISWMSFHXWUWGX-UHFFFAOYSA-N 1 2 219.284 1.587 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](CCC(F)(F)F)[C@H]12 ZINC000363732396 384752344 /nfs/dbraw/zinc/75/23/44/384752344.db2.gz CMKNLRVKHVAODF-SFYZADRCSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](CCC(F)(F)F)[C@H]12 ZINC000363732396 384752349 /nfs/dbraw/zinc/75/23/49/384752349.db2.gz CMKNLRVKHVAODF-SFYZADRCSA-N 1 2 237.221 1.576 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000309972810 384752567 /nfs/dbraw/zinc/75/25/67/384752567.db2.gz QJLPVLGMAQCFID-QMMMGPOBSA-N 1 2 233.258 1.573 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000518160570 384753922 /nfs/dbraw/zinc/75/39/22/384753922.db2.gz MUZKLYKCKBYWMU-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000518160570 384753937 /nfs/dbraw/zinc/75/39/37/384753937.db2.gz MUZKLYKCKBYWMU-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1O ZINC000126000249 384762883 /nfs/dbraw/zinc/76/28/83/384762883.db2.gz AZDLVZCLXOALLZ-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1O ZINC000126000249 384762890 /nfs/dbraw/zinc/76/28/90/384762890.db2.gz AZDLVZCLXOALLZ-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1nccs1 ZINC000126689407 384818930 /nfs/dbraw/zinc/81/89/30/384818930.db2.gz QKIVPFQOVRIGLV-RMLUDKJBSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1nccs1 ZINC000126689407 384818938 /nfs/dbraw/zinc/81/89/38/384818938.db2.gz QKIVPFQOVRIGLV-RMLUDKJBSA-N 1 2 232.374 1.342 20 0 BDADLO C[C@H]1OCC[C@@H]1SCc1[nH+]ccn1C ZINC000163547816 384822547 /nfs/dbraw/zinc/82/25/47/384822547.db2.gz QWZORRBLESOYFB-BDAKNGLRSA-N 1 2 212.318 1.831 20 0 BDADLO Cn1cc(C[NH2+][C@H]2CCc3c2cccc3O)nn1 ZINC000360920112 384788887 /nfs/dbraw/zinc/78/88/87/384788887.db2.gz UKDVPMNDXDZDFX-LBPRGKRZSA-N 1 2 244.298 1.298 20 0 BDADLO Cc1nc(CC[NH+]2CCOCC2)cs1 ZINC000163370213 384795357 /nfs/dbraw/zinc/79/53/57/384795357.db2.gz OKPLKYFYHYKATP-UHFFFAOYSA-N 1 2 212.318 1.326 20 0 BDADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000104134477 384803312 /nfs/dbraw/zinc/80/33/12/384803312.db2.gz HNWVOYCRTPBSPN-SECBINFHSA-N 1 2 239.344 1.956 20 0 BDADLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000104134477 384803319 /nfs/dbraw/zinc/80/33/19/384803319.db2.gz HNWVOYCRTPBSPN-SECBINFHSA-N 1 2 239.344 1.956 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000306302524 384871163 /nfs/dbraw/zinc/87/11/63/384871163.db2.gz BZQLSZDWEIHHOO-YEQXMLPJSA-N 1 2 201.697 1.850 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000306302524 384871166 /nfs/dbraw/zinc/87/11/66/384871166.db2.gz BZQLSZDWEIHHOO-YEQXMLPJSA-N 1 2 201.697 1.850 20 0 BDADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000175180461 384874664 /nfs/dbraw/zinc/87/46/64/384874664.db2.gz VCMZMSRFZYWSIM-PSASIEDQSA-N 1 2 242.344 1.417 20 0 BDADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000175180461 384874670 /nfs/dbraw/zinc/87/46/70/384874670.db2.gz VCMZMSRFZYWSIM-PSASIEDQSA-N 1 2 242.344 1.417 20 0 BDADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000175180448 384876500 /nfs/dbraw/zinc/87/65/00/384876500.db2.gz VCMZMSRFZYWSIM-WCBMZHEXSA-N 1 2 242.344 1.417 20 0 BDADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000175180448 384876506 /nfs/dbraw/zinc/87/65/06/384876506.db2.gz VCMZMSRFZYWSIM-WCBMZHEXSA-N 1 2 242.344 1.417 20 0 BDADLO CC[C@@H](F)C[NH2+][C@H](C)c1nc(C)no1 ZINC000308626292 384876910 /nfs/dbraw/zinc/87/69/10/384876910.db2.gz WOYRWEWOZPWPIG-HTRCEHHLSA-N 1 2 201.245 1.777 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364026479 384889868 /nfs/dbraw/zinc/88/98/68/384889868.db2.gz BOGLIQXENFLWFG-QMMMGPOBSA-N 1 2 220.263 1.146 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1occc1C ZINC000310108605 384838865 /nfs/dbraw/zinc/83/88/65/384838865.db2.gz DRASBIFLQLIHAC-GFCCVEGCSA-N 1 2 237.299 1.971 20 0 BDADLO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1occc1C ZINC000310108605 384838872 /nfs/dbraw/zinc/83/88/72/384838872.db2.gz DRASBIFLQLIHAC-GFCCVEGCSA-N 1 2 237.299 1.971 20 0 BDADLO C[N@H+](CCCCCn1cccn1)Cc1nnc[nH]1 ZINC000174821120 384842742 /nfs/dbraw/zinc/84/27/42/384842742.db2.gz BPNIGGDJIBECOL-UHFFFAOYSA-N 1 2 248.334 1.304 20 0 BDADLO C[N@@H+](CCCCCn1cccn1)Cc1nnc[nH]1 ZINC000174821120 384842748 /nfs/dbraw/zinc/84/27/48/384842748.db2.gz BPNIGGDJIBECOL-UHFFFAOYSA-N 1 2 248.334 1.304 20 0 BDADLO Clc1ncccc1C[N@@H+]1CCn2cnnc2C1 ZINC000105880879 384888721 /nfs/dbraw/zinc/88/87/21/384888721.db2.gz GVJUQKFYCAQCEZ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO Clc1ncccc1C[N@H+]1CCn2cnnc2C1 ZINC000105880879 384888723 /nfs/dbraw/zinc/88/87/23/384888723.db2.gz GVJUQKFYCAQCEZ-UHFFFAOYSA-N 1 2 249.705 1.342 20 0 BDADLO CCCN(C(=O)[C@@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000644389589 384859459 /nfs/dbraw/zinc/85/94/59/384859459.db2.gz NIMSOVHKLYYQQC-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCCN(C(=O)[C@@H]1COCC[N@H+]1C)C(C)(C)C ZINC000644389589 384859467 /nfs/dbraw/zinc/85/94/67/384859467.db2.gz NIMSOVHKLYYQQC-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC1(C)C ZINC000127850601 384952809 /nfs/dbraw/zinc/95/28/09/384952809.db2.gz XAWQTNMNGZNOKX-LLVKDONJSA-N 1 2 235.331 1.778 20 0 BDADLO CC(C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364026478 384890789 /nfs/dbraw/zinc/89/07/89/384890789.db2.gz BOGLIQXENFLWFG-MRVPVSSYSA-N 1 2 220.263 1.146 20 0 BDADLO C[C@H](CO)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301569448 384894908 /nfs/dbraw/zinc/89/49/08/384894908.db2.gz ZYIVGUDNGGVTBI-VIFPVBQESA-N 1 2 223.320 1.814 20 0 BDADLO CC[C@H]1CCCN1C(=O)NCc1c[nH+]cn1C ZINC000336290752 384959597 /nfs/dbraw/zinc/95/95/97/384959597.db2.gz CQPQDZPSJKPQKQ-JTQLQIEISA-N 1 2 236.319 1.504 20 0 BDADLO Cc1ocnc1CNc1nc[nH+]c(N)c1Cl ZINC000309301845 384930795 /nfs/dbraw/zinc/93/07/95/384930795.db2.gz UFBUEXNUOYNLPX-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO Cc1ocnc1CNc1[nH+]cnc(N)c1Cl ZINC000309301845 384930804 /nfs/dbraw/zinc/93/08/04/384930804.db2.gz UFBUEXNUOYNLPX-UHFFFAOYSA-N 1 2 239.666 1.621 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1ccncc1 ZINC000258695549 384931853 /nfs/dbraw/zinc/93/18/53/384931853.db2.gz DIZXHQBWBXKSGO-UHFFFAOYSA-N 1 2 222.288 1.165 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@H+]1C/C=C/Cl ZINC000187329082 384934310 /nfs/dbraw/zinc/93/43/10/384934310.db2.gz FRYMEHGHRPVCTD-DUMNWFOQSA-N 1 2 230.739 1.730 20 0 BDADLO CCC[C@]1(C)C(=O)NCC[N@@H+]1C/C=C/Cl ZINC000187329082 384934313 /nfs/dbraw/zinc/93/43/13/384934313.db2.gz FRYMEHGHRPVCTD-DUMNWFOQSA-N 1 2 230.739 1.730 20 0 BDADLO CCn1nnc(C)c1CNc1c[nH+]ccc1OC ZINC000518307883 384938380 /nfs/dbraw/zinc/93/83/80/384938380.db2.gz HXZHGPUEFATQMZ-UHFFFAOYSA-N 1 2 247.302 1.622 20 0 BDADLO CC[C@@H]1COCCN1Cc1[nH+]ccn1CC ZINC000172012851 384941715 /nfs/dbraw/zinc/94/17/15/384941715.db2.gz WPDGAFVPMTXBIT-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[NH+]1CC(C)C1 ZINC000557434364 384944107 /nfs/dbraw/zinc/94/41/07/384944107.db2.gz MWZNDQXTJKDHET-MRVPVSSYSA-N 1 2 225.317 1.422 20 0 BDADLO CCCCNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127791916 384945242 /nfs/dbraw/zinc/94/52/42/384945242.db2.gz DCQVRAHZSKVAQC-LBPRGKRZSA-N 1 2 249.358 1.991 20 0 BDADLO CCCCNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127791916 384945249 /nfs/dbraw/zinc/94/52/49/384945249.db2.gz DCQVRAHZSKVAQC-LBPRGKRZSA-N 1 2 249.358 1.991 20 0 BDADLO C[C@@H](F)CCNc1cc[nH+]c(C2CC2)n1 ZINC000338759444 384946886 /nfs/dbraw/zinc/94/68/86/384946886.db2.gz YFXUXWZSRCCEBJ-MRVPVSSYSA-N 1 2 209.268 1.936 20 0 BDADLO CN(CC1CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057782877 384967055 /nfs/dbraw/zinc/96/70/55/384967055.db2.gz PMNDDWQYPXOZEY-UHFFFAOYSA-N 1 2 229.283 1.816 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(C)cn2)on1 ZINC000087782436 384987910 /nfs/dbraw/zinc/98/79/10/384987910.db2.gz MPGZNFQFTXDDOT-UHFFFAOYSA-N 1 2 217.272 1.976 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000336305209 385000326 /nfs/dbraw/zinc/00/03/26/385000326.db2.gz BAMPOBZIKBCVSC-BMIGLBTASA-N 1 2 235.368 1.968 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000336305209 385000330 /nfs/dbraw/zinc/00/03/30/385000330.db2.gz BAMPOBZIKBCVSC-BMIGLBTASA-N 1 2 235.368 1.968 20 0 BDADLO COc1cc(C[NH2+]Cc2cscn2)ccn1 ZINC000058395706 385002106 /nfs/dbraw/zinc/00/21/06/385002106.db2.gz PQMVPDWNLLVJCT-UHFFFAOYSA-N 1 2 235.312 1.837 20 0 BDADLO Cc1cnc(NCCC[NH+]2CCOCC2)s1 ZINC000302865142 385008788 /nfs/dbraw/zinc/00/87/88/385008788.db2.gz XUPLTMSWHVNQBL-UHFFFAOYSA-N 1 2 241.360 1.586 20 0 BDADLO CCOc1ccc(C[NH+]2CC(O)C2)cc1 ZINC000070841650 385019706 /nfs/dbraw/zinc/01/97/06/385019706.db2.gz GEAWMVMRCWFURV-UHFFFAOYSA-N 1 2 207.273 1.262 20 0 BDADLO Cc1cncc(NCCCn2cc[nH+]c2)n1 ZINC000302118679 384961577 /nfs/dbraw/zinc/96/15/77/384961577.db2.gz CRSBXKKPUFDBIY-UHFFFAOYSA-N 1 2 217.276 1.484 20 0 BDADLO C/C=C(\C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175812911 384963733 /nfs/dbraw/zinc/96/37/33/384963733.db2.gz YZRJOCYRWDWECX-KGVSQERTSA-N 1 2 245.326 1.696 20 0 BDADLO Cc1cnc(N[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000302082665 384964192 /nfs/dbraw/zinc/96/41/92/384964192.db2.gz CTAOJKHWHXEYCY-VIFPVBQESA-N 1 2 241.360 1.584 20 0 BDADLO CSCCN(C)c1nc[nH+]c(N)c1Cl ZINC000235068945 385047515 /nfs/dbraw/zinc/04/75/15/385047515.db2.gz XRXHDTKTLWFQKG-UHFFFAOYSA-N 1 2 232.740 1.511 20 0 BDADLO CSCCN(C)c1[nH+]cnc(N)c1Cl ZINC000235068945 385047520 /nfs/dbraw/zinc/04/75/20/385047520.db2.gz XRXHDTKTLWFQKG-UHFFFAOYSA-N 1 2 232.740 1.511 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000059600399 385050244 /nfs/dbraw/zinc/05/02/44/385050244.db2.gz ZQJFISIPDLKTHS-CYBMUJFWSA-N 1 2 248.326 1.652 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1CCc1ccccn1 ZINC000059600399 385050251 /nfs/dbraw/zinc/05/02/51/385050251.db2.gz ZQJFISIPDLKTHS-CYBMUJFWSA-N 1 2 248.326 1.652 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCCC1(C)C ZINC000291899104 385053934 /nfs/dbraw/zinc/05/39/34/385053934.db2.gz MJIMOOSUMYLADI-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000188494414 385059386 /nfs/dbraw/zinc/05/93/86/385059386.db2.gz VUKOGMNHTVZLGL-RKDXNWHRSA-N 1 2 241.360 1.661 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000087049733 385070014 /nfs/dbraw/zinc/07/00/14/385070014.db2.gz ZHWFPCFVHMEHKJ-VIFPVBQESA-N 1 2 238.312 1.302 20 0 BDADLO CCCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000557668405 385085072 /nfs/dbraw/zinc/08/50/72/385085072.db2.gz WRSCIEFHKIXTAX-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](CC(=O)NCCn1cccc1)n1cc[nH+]c1 ZINC000518383360 385024908 /nfs/dbraw/zinc/02/49/08/385024908.db2.gz KQHKMSCUSMOHTI-GFCCVEGCSA-N 1 2 246.314 1.452 20 0 BDADLO Cc1c(C[NH2+]Cc2nccs2)cnn1C ZINC000086551999 385026666 /nfs/dbraw/zinc/02/66/66/385026666.db2.gz HWMRBJWFIDEANE-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cn[nH]c2C)CC[C@H]1C ZINC000188293817 385035852 /nfs/dbraw/zinc/03/58/52/385035852.db2.gz OPQVPKFVCNNYAN-BXKDBHETSA-N 1 2 223.320 1.575 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cn[nH]c2C)CC[C@H]1C ZINC000188293817 385035857 /nfs/dbraw/zinc/03/58/57/385035857.db2.gz OPQVPKFVCNNYAN-BXKDBHETSA-N 1 2 223.320 1.575 20 0 BDADLO C[C@@H](CC(=O)NCc1ccncc1)n1cc[nH+]c1 ZINC000565307692 385040217 /nfs/dbraw/zinc/04/02/17/385040217.db2.gz NNGVCZXZNYHEBU-NSHDSACASA-N 1 2 244.298 1.546 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cn[nH]c1C ZINC000647244019 385042658 /nfs/dbraw/zinc/04/26/58/385042658.db2.gz SCWGVJQAYQWXJI-SKDRFNHKSA-N 1 2 225.336 1.605 20 0 BDADLO Cc1nc(N2CCC3(CCC3)CC2)nc(N)[nH+]1 ZINC000308732915 385043913 /nfs/dbraw/zinc/04/39/13/385043913.db2.gz BUZGSFZZSBGDQH-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO Cc1nc(N)nc(N2CCC3(CCC3)CC2)[nH+]1 ZINC000308732915 385043917 /nfs/dbraw/zinc/04/39/17/385043917.db2.gz BUZGSFZZSBGDQH-UHFFFAOYSA-N 1 2 233.319 1.533 20 0 BDADLO COC1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000648267209 385044956 /nfs/dbraw/zinc/04/49/56/385044956.db2.gz FQWQLYWYCAALRN-UHFFFAOYSA-N 1 2 245.282 1.760 20 0 BDADLO COC[C@@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000644691107 385110305 /nfs/dbraw/zinc/11/03/05/385110305.db2.gz XTQGUAFJTDSKRU-ZDUSSCGKSA-N 1 2 247.298 1.292 20 0 BDADLO C[C@H]([NH2+]CCF)c1cc2n(n1)CCCC2 ZINC000647302426 385116765 /nfs/dbraw/zinc/11/67/65/385116765.db2.gz YVBNNZGXPQNBFQ-VIFPVBQESA-N 1 2 211.284 1.840 20 0 BDADLO CSCCNc1nc[nH+]c(N)c1Cl ZINC000235060087 385127259 /nfs/dbraw/zinc/12/72/59/385127259.db2.gz DIOVHHCKRFTQNT-UHFFFAOYSA-N 1 2 218.713 1.487 20 0 BDADLO CSCCNc1[nH+]cnc(N)c1Cl ZINC000235060087 385127264 /nfs/dbraw/zinc/12/72/64/385127264.db2.gz DIOVHHCKRFTQNT-UHFFFAOYSA-N 1 2 218.713 1.487 20 0 BDADLO CC(C)[C@@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000279508320 385137972 /nfs/dbraw/zinc/13/79/72/385137972.db2.gz NFNLPPZZFSUKKA-CYBMUJFWSA-N 1 2 245.330 1.697 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000068474658 385085495 /nfs/dbraw/zinc/08/54/95/385085495.db2.gz GZRTXVBPEFVWRX-IUCAKERBSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000068474658 385085501 /nfs/dbraw/zinc/08/55/01/385085501.db2.gz GZRTXVBPEFVWRX-IUCAKERBSA-N 1 2 239.319 1.938 20 0 BDADLO CCc1cc(N)nc(SC2CCOCC2)[nH+]1 ZINC000309310935 385085764 /nfs/dbraw/zinc/08/57/64/385085764.db2.gz XAIWPLUMJJPMED-UHFFFAOYSA-N 1 2 239.344 1.892 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000644671759 385085811 /nfs/dbraw/zinc/08/58/11/385085811.db2.gz VJELUEQEQCBMPN-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000644671759 385085818 /nfs/dbraw/zinc/08/58/18/385085818.db2.gz VJELUEQEQCBMPN-SNVBAGLBSA-N 1 2 238.335 1.539 20 0 BDADLO COC(C)(C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000279279063 385089527 /nfs/dbraw/zinc/08/95/27/385089527.db2.gz XMARJSBQMPVXLM-UHFFFAOYSA-N 1 2 225.292 1.149 20 0 BDADLO O=C1OCC[C@H]2CC[N@@H+](Cc3cccc(F)c3)[C@H]12 ZINC000360334485 385096307 /nfs/dbraw/zinc/09/63/07/385096307.db2.gz KKJRUMAZRDWQAR-YPMHNXCESA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@H]2CC[N@H+](Cc3cccc(F)c3)[C@H]12 ZINC000360334485 385096311 /nfs/dbraw/zinc/09/63/11/385096311.db2.gz KKJRUMAZRDWQAR-YPMHNXCESA-N 1 2 249.285 1.963 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000152475414 385183136 /nfs/dbraw/zinc/18/31/36/385183136.db2.gz IYZKVTNRROGRKX-LBPRGKRZSA-N 1 2 233.315 1.182 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000152475414 385183143 /nfs/dbraw/zinc/18/31/43/385183143.db2.gz IYZKVTNRROGRKX-LBPRGKRZSA-N 1 2 233.315 1.182 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1 ZINC000189798264 385188574 /nfs/dbraw/zinc/18/85/74/385188574.db2.gz DTUQMYCFMXKCGH-ZDUSSCGKSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1 ZINC000189798264 385188577 /nfs/dbraw/zinc/18/85/77/385188577.db2.gz DTUQMYCFMXKCGH-ZDUSSCGKSA-N 1 2 247.342 1.428 20 0 BDADLO CCOC[C@H]([NH2+][C@@H](C)C(=O)OCC)C(C)C ZINC000189803686 385188623 /nfs/dbraw/zinc/18/86/23/385188623.db2.gz FEZQTXMXPMMCIE-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO CCOCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000152583318 385193207 /nfs/dbraw/zinc/19/32/07/385193207.db2.gz LKOFAOBDJKUZNN-CYBMUJFWSA-N 1 2 248.326 1.196 20 0 BDADLO CCOCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000152583318 385193213 /nfs/dbraw/zinc/19/32/13/385193213.db2.gz LKOFAOBDJKUZNN-CYBMUJFWSA-N 1 2 248.326 1.196 20 0 BDADLO CCCc1nsc(N2CC[NH+](C)CC2)n1 ZINC000308823666 385193514 /nfs/dbraw/zinc/19/35/14/385193514.db2.gz HGGCLVAYKLFYTI-UHFFFAOYSA-N 1 2 226.349 1.242 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CC1(F)F ZINC000648313706 385172986 /nfs/dbraw/zinc/17/29/86/385172986.db2.gz YPAXHMSSBSXIKM-MRVPVSSYSA-N 1 2 237.209 1.928 20 0 BDADLO Cn1cncc1C[NH+]1Cc2ccccc2C1 ZINC000177059887 385174533 /nfs/dbraw/zinc/17/45/33/385174533.db2.gz SMIZPDHJZMIINE-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO Cn1c[nH+]cc1CN1Cc2ccccc2C1 ZINC000177059887 385174543 /nfs/dbraw/zinc/17/45/43/385174543.db2.gz SMIZPDHJZMIINE-UHFFFAOYSA-N 1 2 213.284 1.936 20 0 BDADLO Nc1cc(CN2CCC(F)(F)C2)cc[nH+]1 ZINC000308808934 385177648 /nfs/dbraw/zinc/17/76/48/385177648.db2.gz BRDGOJGLGVNSCP-UHFFFAOYSA-N 1 2 213.231 1.505 20 0 BDADLO Cn1c[nH+]cc1CN1CCOc2cc(F)ccc21 ZINC000177085590 385179027 /nfs/dbraw/zinc/17/90/27/385179027.db2.gz XVFWSUAVNZYCEU-UHFFFAOYSA-N 1 2 247.273 1.958 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000190037767 385206705 /nfs/dbraw/zinc/20/67/05/385206705.db2.gz CTUSXZSTZZIELR-CYBMUJFWSA-N 1 2 249.314 1.010 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000190037767 385206710 /nfs/dbraw/zinc/20/67/10/385206710.db2.gz CTUSXZSTZZIELR-CYBMUJFWSA-N 1 2 249.314 1.010 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218610 385217274 /nfs/dbraw/zinc/21/72/74/385217274.db2.gz LXPQUEYMQXOLOB-CQSZACIVSA-N 1 2 245.326 1.411 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000449781896 385226508 /nfs/dbraw/zinc/22/65/08/385226508.db2.gz XKTTWWBXWOYEBO-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000449781896 385226513 /nfs/dbraw/zinc/22/65/13/385226513.db2.gz XKTTWWBXWOYEBO-WCBMZHEXSA-N 1 2 245.273 1.481 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCCO1)C1CC1 ZINC000227769374 385230907 /nfs/dbraw/zinc/23/09/07/385230907.db2.gz BAAWNXSBRMCMKQ-QWRGUYRKSA-N 1 2 227.304 1.097 20 0 BDADLO CC1(C)C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000130391796 385245217 /nfs/dbraw/zinc/24/52/17/385245217.db2.gz RQAOBBXPICTURD-JTQLQIEISA-N 1 2 221.304 1.436 20 0 BDADLO CNC(=O)CCSCc1cn2ccccc2[nH+]1 ZINC000559951301 385253246 /nfs/dbraw/zinc/25/32/46/385253246.db2.gz LPHQHQPZKAPXLW-UHFFFAOYSA-N 1 2 249.339 1.704 20 0 BDADLO CCN(C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000292259667 385302921 /nfs/dbraw/zinc/30/29/21/385302921.db2.gz HUTIXJBVMXDTTQ-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO Cc1cnccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000648353192 385309721 /nfs/dbraw/zinc/30/97/21/385309721.db2.gz IYUZSMFSCRFOTI-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO Cc1cnccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000648353192 385309726 /nfs/dbraw/zinc/30/97/26/385309726.db2.gz IYUZSMFSCRFOTI-UHFFFAOYSA-N 1 2 247.342 1.444 20 0 BDADLO CCc1ccc(C[NH+]2CCN(C)CC2)o1 ZINC000154402410 385321734 /nfs/dbraw/zinc/32/17/34/385321734.db2.gz BIJPUAANMARKJV-UHFFFAOYSA-N 1 2 208.305 1.589 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000178024506 385322501 /nfs/dbraw/zinc/32/25/01/385322501.db2.gz QTLOSORCWVCVHL-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000178024506 385322507 /nfs/dbraw/zinc/32/25/07/385322507.db2.gz QTLOSORCWVCVHL-LLVKDONJSA-N 1 2 235.331 1.428 20 0 BDADLO CCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177711808 385273768 /nfs/dbraw/zinc/27/37/68/385273768.db2.gz HOESBOOCGCFHCB-UHFFFAOYSA-N 1 2 246.314 1.934 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCO)o1 ZINC000177735734 385279144 /nfs/dbraw/zinc/27/91/44/385279144.db2.gz IYZBBPSLWUAPMG-NSHDSACASA-N 1 2 225.288 1.208 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@H+]2CCO)o1 ZINC000177735734 385279148 /nfs/dbraw/zinc/27/91/48/385279148.db2.gz IYZBBPSLWUAPMG-NSHDSACASA-N 1 2 225.288 1.208 20 0 BDADLO Cc1nc(N(C)[C@@H]2CCSC2)cc[nH+]1 ZINC000153783145 385281758 /nfs/dbraw/zinc/28/17/58/385281758.db2.gz PKRBRKCSJOINBN-SECBINFHSA-N 1 2 209.318 1.727 20 0 BDADLO CC(C)N(C(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000292200307 385289933 /nfs/dbraw/zinc/28/99/33/385289933.db2.gz CIHXSLUGGGHJTK-UHFFFAOYSA-N 1 2 236.319 1.503 20 0 BDADLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC000647312014 385295074 /nfs/dbraw/zinc/29/50/74/385295074.db2.gz FPILGLUFFSMBKY-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO CCC[C@H](O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000177867750 385297780 /nfs/dbraw/zinc/29/77/80/385297780.db2.gz XUQQJZGOOFRHBF-NSHDSACASA-N 1 2 247.298 1.225 20 0 BDADLO O=C([C@H]1CCOC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000407985034 385298082 /nfs/dbraw/zinc/29/80/82/385298082.db2.gz DIRFCKXAAFMFER-NSHDSACASA-N 1 2 249.314 1.152 20 0 BDADLO CCC[C@H]1CN(Cc2[nH+]ccn2C)CCO1 ZINC000131412812 385333271 /nfs/dbraw/zinc/33/32/71/385333271.db2.gz RQYAXWNDFUGLJK-NSHDSACASA-N 1 2 223.320 1.421 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1cocn1 ZINC000191975862 385336707 /nfs/dbraw/zinc/33/67/07/385336707.db2.gz PDMFTQHATUGXAJ-UHFFFAOYSA-N 1 2 217.272 1.744 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1cocn1 ZINC000191975862 385336709 /nfs/dbraw/zinc/33/67/09/385336709.db2.gz PDMFTQHATUGXAJ-UHFFFAOYSA-N 1 2 217.272 1.744 20 0 BDADLO CC[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178357791 385359751 /nfs/dbraw/zinc/35/97/51/385359751.db2.gz REGVQKMVUAHGAQ-SNVBAGLBSA-N 1 2 231.299 1.997 20 0 BDADLO C[C@@H]([NH2+]CC(F)(F)F)C1CCOCC1 ZINC000179853909 385381578 /nfs/dbraw/zinc/38/15/78/385381578.db2.gz YWVIKAJRRHGCKP-SSDOTTSWSA-N 1 2 211.227 1.953 20 0 BDADLO CC(C)[C@@H]([NH2+]CCCO)C(=O)OC(C)(C)C ZINC000180041389 385383635 /nfs/dbraw/zinc/38/36/35/385383635.db2.gz AIOBJSOTGSNIQL-SNVBAGLBSA-N 1 2 231.336 1.325 20 0 BDADLO COc1cc(C)[nH+]c(CN2CCC[C@@H](O)C2)c1 ZINC000168884633 385390904 /nfs/dbraw/zinc/39/09/04/385390904.db2.gz KNFRRXQMIVXTLD-GFCCVEGCSA-N 1 2 236.315 1.355 20 0 BDADLO C[NH+](C)Cc1nc(CCc2ccccc2)no1 ZINC000191822393 385326379 /nfs/dbraw/zinc/32/63/79/385326379.db2.gz YETBSFCULGJUSZ-UHFFFAOYSA-N 1 2 231.299 1.916 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCOC1 ZINC000181022110 385403209 /nfs/dbraw/zinc/40/32/09/385403209.db2.gz QRFPGDZPBIRJCG-MNOVXSKESA-N 1 2 229.320 1.343 20 0 BDADLO C[N@@H+]1CCCC[C@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000408013961 385404003 /nfs/dbraw/zinc/40/40/03/385404003.db2.gz HTRRUSDTXKJOPF-QMMMGPOBSA-N 1 2 242.348 1.477 20 0 BDADLO C[N@H+]1CCCC[C@H]1CCSc1n[nH]c(=O)[nH]1 ZINC000408013961 385404006 /nfs/dbraw/zinc/40/40/06/385404006.db2.gz HTRRUSDTXKJOPF-QMMMGPOBSA-N 1 2 242.348 1.477 20 0 BDADLO O=C(c1ccon1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000408014420 385406195 /nfs/dbraw/zinc/40/61/95/385406195.db2.gz VPPUMDCFUQWIOH-VIFPVBQESA-N 1 2 246.270 1.418 20 0 BDADLO C[C@@H]([NH2+]CCF)c1nnc2ccccn21 ZINC000309099881 385408489 /nfs/dbraw/zinc/40/84/89/385408489.db2.gz FFVJERRMXKHWFR-MRVPVSSYSA-N 1 2 208.240 1.349 20 0 BDADLO CC(C)N(C)C[C@H](C)[NH2+]Cc1cncs1 ZINC000309084247 385409219 /nfs/dbraw/zinc/40/92/19/385409219.db2.gz VAPCTYXHVWXAGB-JTQLQIEISA-N 1 2 227.377 1.961 20 0 BDADLO CC[C@@H]([NH2+]CC(=O)OC)c1cccs1 ZINC000020086421 385413200 /nfs/dbraw/zinc/41/32/00/385413200.db2.gz NNCPBGGLMZFPCA-MRVPVSSYSA-N 1 2 213.302 1.962 20 0 BDADLO CC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000309091703 385413574 /nfs/dbraw/zinc/41/35/74/385413574.db2.gz CLTDTYGUFZTRBD-SSDOTTSWSA-N 1 2 209.297 1.456 20 0 BDADLO CC[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000309091703 385413579 /nfs/dbraw/zinc/41/35/79/385413579.db2.gz CLTDTYGUFZTRBD-SSDOTTSWSA-N 1 2 209.297 1.456 20 0 BDADLO COc1cc(C[N@@H+]2CCN(C)C(=O)C2)ccc1C ZINC000193973092 385419215 /nfs/dbraw/zinc/41/92/15/385419215.db2.gz LZSWIELOBKWZPW-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO COc1cc(C[N@H+]2CCN(C)C(=O)C2)ccc1C ZINC000193973092 385419217 /nfs/dbraw/zinc/41/92/17/385419217.db2.gz LZSWIELOBKWZPW-UHFFFAOYSA-N 1 2 248.326 1.278 20 0 BDADLO CC(C)n1cc[nH+]c1CN(CCO)CC(F)F ZINC000194866600 385451174 /nfs/dbraw/zinc/45/11/74/385451174.db2.gz BDYAMWUPFANREF-UHFFFAOYSA-N 1 2 247.289 1.523 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000194952522 385453506 /nfs/dbraw/zinc/45/35/06/385453506.db2.gz DGTTZSOSBWWXKY-ONGXEEELSA-N 1 2 211.261 1.034 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000194952522 385453508 /nfs/dbraw/zinc/45/35/08/385453508.db2.gz DGTTZSOSBWWXKY-ONGXEEELSA-N 1 2 211.261 1.034 20 0 BDADLO CC[C@H](O)Cn1c2ccccc2[nH+]c1CCCO ZINC000156476657 385454804 /nfs/dbraw/zinc/45/48/04/385454804.db2.gz JYJMQWLHGNQQFP-NSHDSACASA-N 1 2 248.326 1.732 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(F)n1 ZINC000492871734 385456215 /nfs/dbraw/zinc/45/62/15/385456215.db2.gz XXBCDXXEJDTYRJ-PLNGDYQASA-N 1 2 246.245 1.273 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000194431660 385435110 /nfs/dbraw/zinc/43/51/10/385435110.db2.gz WAMUUOOCXJRWQZ-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000194431660 385435112 /nfs/dbraw/zinc/43/51/12/385435112.db2.gz WAMUUOOCXJRWQZ-LBPRGKRZSA-N 1 2 243.314 1.547 20 0 BDADLO CCC[C@@H]1CCCC[N@@H+]1Cc1nnn(C)n1 ZINC000194450173 385435470 /nfs/dbraw/zinc/43/54/70/385435470.db2.gz HYUDVCDRJRZZTE-SNVBAGLBSA-N 1 2 223.324 1.365 20 0 BDADLO CCC[C@@H]1CCCC[N@H+]1Cc1nnn(C)n1 ZINC000194450173 385435473 /nfs/dbraw/zinc/43/54/73/385435473.db2.gz HYUDVCDRJRZZTE-SNVBAGLBSA-N 1 2 223.324 1.365 20 0 BDADLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H](C)CO ZINC000179425135 385466008 /nfs/dbraw/zinc/46/60/08/385466008.db2.gz GGJAEHATOGQYTI-NXEZZACHSA-N 1 2 247.298 1.081 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179471066 385466804 /nfs/dbraw/zinc/46/68/04/385466804.db2.gz IKIBAFXYUIDWPP-LBPRGKRZSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179471066 385466809 /nfs/dbraw/zinc/46/68/09/385466809.db2.gz IKIBAFXYUIDWPP-LBPRGKRZSA-N 1 2 246.318 1.147 20 0 BDADLO Cn1cnc(C[NH2+][C@@H]2CCc3cc(F)ccc32)n1 ZINC000179594003 385475763 /nfs/dbraw/zinc/47/57/63/385475763.db2.gz BRCMSDOQAFUNLY-GFCCVEGCSA-N 1 2 246.289 1.731 20 0 BDADLO COC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336393031 385484197 /nfs/dbraw/zinc/48/41/97/385484197.db2.gz YNZXZKQVVCDGKQ-SSDOTTSWSA-N 1 2 207.220 1.137 20 0 BDADLO COC(=O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336393031 385484202 /nfs/dbraw/zinc/48/42/02/385484202.db2.gz YNZXZKQVVCDGKQ-SSDOTTSWSA-N 1 2 207.220 1.137 20 0 BDADLO CCO[C@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000170956522 385458630 /nfs/dbraw/zinc/45/86/30/385458630.db2.gz MSIRCJLRXWIKGS-KOLCDFICSA-N 1 2 220.272 1.754 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000156679752 385463689 /nfs/dbraw/zinc/46/36/89/385463689.db2.gz JFLRCIHKIZGBDC-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000156679752 385463692 /nfs/dbraw/zinc/46/36/92/385463692.db2.gz JFLRCIHKIZGBDC-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CC(=O)c1c[nH]c(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000109889469 385491124 /nfs/dbraw/zinc/49/11/24/385491124.db2.gz ZHDREHZJQTWYTD-UHFFFAOYSA-N 1 2 245.238 1.570 20 0 BDADLO Cc1ccc(CC(=O)Nc2cc[nH+]cc2O)cn1 ZINC000109891584 385491162 /nfs/dbraw/zinc/49/11/62/385491162.db2.gz IDKQHFGMJJISLH-UHFFFAOYSA-N 1 2 243.266 1.672 20 0 BDADLO Cc1noc(C)c1CC(=O)Nc1cc[nH+]cc1O ZINC000109889977 385491696 /nfs/dbraw/zinc/49/16/96/385491696.db2.gz VTFFSWJPEHJEKC-UHFFFAOYSA-N 1 2 247.254 1.573 20 0 BDADLO O=c1[nH]c2ccccc2cc1Cn1cc[nH+]c1 ZINC000111197011 385500384 /nfs/dbraw/zinc/50/03/84/385500384.db2.gz LVAYCLPCVHNKTF-UHFFFAOYSA-N 1 2 225.251 1.773 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccncc1 ZINC000157501981 385505671 /nfs/dbraw/zinc/50/56/71/385505671.db2.gz LFFJKQHZKZVSEN-DGCLKSJQSA-N 1 2 236.315 1.053 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccncc1 ZINC000157501981 385505675 /nfs/dbraw/zinc/50/56/75/385505675.db2.gz LFFJKQHZKZVSEN-DGCLKSJQSA-N 1 2 236.315 1.053 20 0 BDADLO CC(=O)N1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000106461875 385509384 /nfs/dbraw/zinc/50/93/84/385509384.db2.gz KWKNDKAVSFZXEN-UHFFFAOYSA-N 1 2 248.330 1.269 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000119968716 385510523 /nfs/dbraw/zinc/51/05/23/385510523.db2.gz SDNWOCUJTHCVJL-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000119968716 385510526 /nfs/dbraw/zinc/51/05/26/385510526.db2.gz SDNWOCUJTHCVJL-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)NC1CC1 ZINC000180269401 385518193 /nfs/dbraw/zinc/51/81/93/385518193.db2.gz SBWNCJUDUPLJPM-UHFFFAOYSA-N 1 2 245.326 1.325 20 0 BDADLO Nc1nc(N2CCO[C@@H]3C[C@@H]32)[nH+]c2ccccc12 ZINC000644136160 385513169 /nfs/dbraw/zinc/51/31/69/385513169.db2.gz NOBDIOOJKWQWPW-WDEREUQCSA-N 1 2 242.282 1.020 20 0 BDADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)NC1CC1 ZINC000180269401 385518197 /nfs/dbraw/zinc/51/81/97/385518197.db2.gz SBWNCJUDUPLJPM-UHFFFAOYSA-N 1 2 245.326 1.325 20 0 BDADLO Cc1ccc(NC(=O)N(C)[C@@H](C)CO)c(C)[nH+]1 ZINC000180572274 385530389 /nfs/dbraw/zinc/53/03/89/385530389.db2.gz OZFWKVBAGGYSHK-VIFPVBQESA-N 1 2 237.303 1.543 20 0 BDADLO C[C@H]1[NH2+]CCC[C@@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000643034897 385531061 /nfs/dbraw/zinc/53/10/61/385531061.db2.gz KGCRGMIEMBNIMP-BDAKNGLRSA-N 1 2 238.335 1.341 20 0 BDADLO CC(=O)NCCC[N@H+](CC(F)F)C1CC1 ZINC000106936230 385545569 /nfs/dbraw/zinc/54/55/69/385545569.db2.gz MCLNWAYCHQNZIP-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CC(=O)NCCC[N@@H+](CC(F)F)C1CC1 ZINC000106936230 385545573 /nfs/dbraw/zinc/54/55/73/385545573.db2.gz MCLNWAYCHQNZIP-UHFFFAOYSA-N 1 2 220.263 1.242 20 0 BDADLO CCc1cc(N)nc(SC[C@@H]2CCCO2)[nH+]1 ZINC000309308651 385525322 /nfs/dbraw/zinc/52/53/22/385525322.db2.gz WIZVUGIZFMVYNX-VIFPVBQESA-N 1 2 239.344 1.892 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000309420918 385575919 /nfs/dbraw/zinc/57/59/19/385575919.db2.gz ZODMHQQHQKIHEK-VIFPVBQESA-N 1 2 231.336 1.325 20 0 BDADLO CCSCC[N@H+](C)[C@H](C)C(=O)OC ZINC000308257175 385551677 /nfs/dbraw/zinc/55/16/77/385551677.db2.gz KGHUOVWRXRTCDT-MRVPVSSYSA-N 1 2 205.323 1.233 20 0 BDADLO CCSCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000308257175 385551681 /nfs/dbraw/zinc/55/16/81/385551681.db2.gz KGHUOVWRXRTCDT-MRVPVSSYSA-N 1 2 205.323 1.233 20 0 BDADLO CC(C)OC[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000365039207 385570390 /nfs/dbraw/zinc/57/03/90/385570390.db2.gz BDOWAVAEGQSGAD-GFCCVEGCSA-N 1 2 236.315 1.712 20 0 BDADLO OCCC[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000450957190 385600476 /nfs/dbraw/zinc/60/04/76/385600476.db2.gz TVAYXCDPTGZQPX-NSHDSACASA-N 1 2 247.342 1.953 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOC(C)C)n1 ZINC000336675876 385600727 /nfs/dbraw/zinc/60/07/27/385600727.db2.gz ALSQHVKMXDDTTC-MRVPVSSYSA-N 1 2 213.281 1.454 20 0 BDADLO Cc1[nH]c(C(=O)NCCCc2ccccn2)c[nH+]1 ZINC000269539785 385603625 /nfs/dbraw/zinc/60/36/25/385603625.db2.gz WKGANNGYSLWTCU-UHFFFAOYSA-N 1 2 244.298 1.476 20 0 BDADLO c1cc([C@@H]2CCC[N@@H+](Cc3cncnc3)C2)[nH]n1 ZINC000121167541 385582617 /nfs/dbraw/zinc/58/26/17/385582617.db2.gz AEHZBUCEFOEXGL-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO c1cc([C@@H]2CCC[N@H+](Cc3cncnc3)C2)[nH]n1 ZINC000121167541 385582619 /nfs/dbraw/zinc/58/26/19/385582619.db2.gz AEHZBUCEFOEXGL-GFCCVEGCSA-N 1 2 243.314 1.579 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000280966456 385621681 /nfs/dbraw/zinc/62/16/81/385621681.db2.gz KCZCGLNEAXBYJD-QMMMGPOBSA-N 1 2 245.269 1.873 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000280966456 385621689 /nfs/dbraw/zinc/62/16/89/385621689.db2.gz KCZCGLNEAXBYJD-QMMMGPOBSA-N 1 2 245.269 1.873 20 0 BDADLO C([NH2+][C@@H]1CCCSC1)c1noc(C2CC2)n1 ZINC000336679300 385621825 /nfs/dbraw/zinc/62/18/25/385621825.db2.gz QWOICUVMSYEDGF-SECBINFHSA-N 1 2 239.344 1.932 20 0 BDADLO COC(=O)C(C)(C)[N@H+](C)Cc1ccnc(C)c1 ZINC000598596688 385622419 /nfs/dbraw/zinc/62/24/19/385622419.db2.gz SSYJEPVNJDBPOO-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccnc(C)c1 ZINC000598596688 385622426 /nfs/dbraw/zinc/62/24/26/385622426.db2.gz SSYJEPVNJDBPOO-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccn(C)c1 ZINC000280975052 385623701 /nfs/dbraw/zinc/62/37/01/385623701.db2.gz VQSSERDHTDSUFL-SECBINFHSA-N 1 2 210.277 1.018 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccn(C)c1 ZINC000280975052 385623704 /nfs/dbraw/zinc/62/37/04/385623704.db2.gz VQSSERDHTDSUFL-SECBINFHSA-N 1 2 210.277 1.018 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000340060082 385612651 /nfs/dbraw/zinc/61/26/51/385612651.db2.gz UEXRQVIWJXXNLX-UWVGGRQHSA-N 1 2 219.288 1.414 20 0 BDADLO CCSc1nnc(NC(=O)C[NH+](C)C)s1 ZINC000339997930 385649376 /nfs/dbraw/zinc/64/93/76/385649376.db2.gz JXCBUMQFYRJREX-UHFFFAOYSA-N 1 2 246.361 1.150 20 0 BDADLO Cc1cnc(C[NH2+][C@H](CO)c2ccsc2)o1 ZINC000336733968 385649632 /nfs/dbraw/zinc/64/96/32/385649632.db2.gz KOFBEDHQKPQBPS-SNVBAGLBSA-N 1 2 238.312 1.868 20 0 BDADLO C[C@]1(F)CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000451115680 385653985 /nfs/dbraw/zinc/65/39/85/385653985.db2.gz PKKFWNDUHOEQNA-ZDUSSCGKSA-N 1 2 242.338 1.727 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000451115680 385653993 /nfs/dbraw/zinc/65/39/93/385653993.db2.gz PKKFWNDUHOEQNA-ZDUSSCGKSA-N 1 2 242.338 1.727 20 0 BDADLO CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000270065835 385665767 /nfs/dbraw/zinc/66/57/67/385665767.db2.gz IKXQNRILUBWMAO-UHFFFAOYSA-N 1 2 207.277 1.781 20 0 BDADLO c1cn(-c2cccc(N3CCOCC3)n2)c[nH+]1 ZINC000363812375 385660648 /nfs/dbraw/zinc/66/06/48/385660648.db2.gz DDJHGGFAGWMYGC-UHFFFAOYSA-N 1 2 230.271 1.104 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn[nH]1)[C@H](O)C(C)C ZINC000414524555 385662276 /nfs/dbraw/zinc/66/22/76/385662276.db2.gz IEHHVEIUNCEULU-WDEREUQCSA-N 1 2 211.309 1.295 20 0 BDADLO CCCC[C@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000184478874 385663895 /nfs/dbraw/zinc/66/38/95/385663895.db2.gz ASYDTVGCSBNMLO-NSHDSACASA-N 1 2 231.336 1.733 20 0 BDADLO C[C@H](O)CCC[N@H+](CC(F)F)C1CC1 ZINC000336684263 385672646 /nfs/dbraw/zinc/67/26/46/385672646.db2.gz JNRPOYAVMITBBI-QMMMGPOBSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)CCC[N@@H+](CC(F)F)C1CC1 ZINC000336684263 385672650 /nfs/dbraw/zinc/67/26/50/385672650.db2.gz JNRPOYAVMITBBI-QMMMGPOBSA-N 1 2 207.264 1.877 20 0 BDADLO CO[C@](C)(C[NH2+]CC(F)(F)CO)C1CC1 ZINC000647912365 385675909 /nfs/dbraw/zinc/67/59/09/385675909.db2.gz FYTNHABVIMHJBV-SECBINFHSA-N 1 2 223.263 1.019 20 0 BDADLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000281949122 385717104 /nfs/dbraw/zinc/71/71/04/385717104.db2.gz AKXIJBIYABASIT-SNVBAGLBSA-N 1 2 245.369 1.367 20 0 BDADLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000281949122 385717105 /nfs/dbraw/zinc/71/71/05/385717105.db2.gz AKXIJBIYABASIT-SNVBAGLBSA-N 1 2 245.369 1.367 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)o1 ZINC000270214061 385684346 /nfs/dbraw/zinc/68/43/46/385684346.db2.gz OKFNQKKUAZIVPC-LBPRGKRZSA-N 1 2 235.287 1.145 20 0 BDADLO COC(=O)C(C)(C)CC[NH2+]Cc1ccn[nH]1 ZINC000309551988 385684708 /nfs/dbraw/zinc/68/47/08/385684708.db2.gz ILXSOLMSYZHULC-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO CCOc1ccc(C[N@@H+]2CCO[C@H](C)C2)nc1 ZINC000645221179 385689150 /nfs/dbraw/zinc/68/91/50/385689150.db2.gz AUXDICIAFLNFJF-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO CCOc1ccc(C[N@H+]2CCO[C@H](C)C2)nc1 ZINC000645221179 385689156 /nfs/dbraw/zinc/68/91/56/385689156.db2.gz AUXDICIAFLNFJF-LLVKDONJSA-N 1 2 236.315 1.701 20 0 BDADLO COc1cc(C)nc(C[NH+]2CCSCC2)c1 ZINC000270370342 385701912 /nfs/dbraw/zinc/70/19/12/385701912.db2.gz ZDWTYEBQTRULIF-UHFFFAOYSA-N 1 2 238.356 1.947 20 0 BDADLO CCCCOCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337457594 385669858 /nfs/dbraw/zinc/66/98/58/385669858.db2.gz IOCJVZSXKSWNFK-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CCCCOCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337457594 385669868 /nfs/dbraw/zinc/66/98/68/385669868.db2.gz IOCJVZSXKSWNFK-UHFFFAOYSA-N 1 2 240.347 1.110 20 0 BDADLO CS[C@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000270101401 385670099 /nfs/dbraw/zinc/67/00/99/385670099.db2.gz BPEAVDRTRFRHOH-NXEZZACHSA-N 1 2 241.360 1.529 20 0 BDADLO Nc1[nH+]cnc(NCCc2cn[nH]c2)c1Cl ZINC000309606996 385737385 /nfs/dbraw/zinc/73/73/85/385737385.db2.gz LMIXREBQLRJQGU-UHFFFAOYSA-N 1 2 238.682 1.090 20 0 BDADLO Nc1nc[nH+]c(NCCc2cn[nH]c2)c1Cl ZINC000309606996 385737388 /nfs/dbraw/zinc/73/73/88/385737388.db2.gz LMIXREBQLRJQGU-UHFFFAOYSA-N 1 2 238.682 1.090 20 0 BDADLO C[C@@H]1OCC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000270793292 385745984 /nfs/dbraw/zinc/74/59/84/385745984.db2.gz RWRRLYVHEDMKQA-ONGXEEELSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1OCC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000270793292 385745986 /nfs/dbraw/zinc/74/59/86/385745986.db2.gz RWRRLYVHEDMKQA-ONGXEEELSA-N 1 2 248.330 1.888 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)o1 ZINC000282790214 385786888 /nfs/dbraw/zinc/78/68/88/385786888.db2.gz RAWTWGPNFMFEEZ-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)o1 ZINC000282790214 385786892 /nfs/dbraw/zinc/78/68/92/385786892.db2.gz RAWTWGPNFMFEEZ-LLVKDONJSA-N 1 2 243.328 1.207 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000271108252 385787068 /nfs/dbraw/zinc/78/70/68/385787068.db2.gz FPLOCJYUADFYBT-WDEREUQCSA-N 1 2 247.298 1.449 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@@H]1CCOC1)C(=O)OCC ZINC000309647033 385765436 /nfs/dbraw/zinc/76/54/36/385765436.db2.gz MPOGTCLDOBVQNF-YYMQPOIQSA-N 1 2 227.304 1.263 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cc(C2CC2)no1 ZINC000282532748 385768491 /nfs/dbraw/zinc/76/84/91/385768491.db2.gz WLKBWQSKENIFAV-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000309661618 385772522 /nfs/dbraw/zinc/77/25/22/385772522.db2.gz RNNOLWUPZGDYJV-MXWKQRLJSA-N 1 2 229.320 1.343 20 0 BDADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cnnn1C ZINC000271036845 385775642 /nfs/dbraw/zinc/77/56/42/385775642.db2.gz LIKYXQVMHOZHTB-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cnnn1C ZINC000271036845 385775646 /nfs/dbraw/zinc/77/56/46/385775646.db2.gz LIKYXQVMHOZHTB-VIFPVBQESA-N 1 2 248.355 1.996 20 0 BDADLO C/C=C\C[C@H]([NH2+][C@H]1CCSC1)C(=O)OCC ZINC000309658100 385779419 /nfs/dbraw/zinc/77/94/19/385779419.db2.gz QMQDKEZMONIPCA-NBLPHYOQSA-N 1 2 243.372 1.979 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282793664 385787993 /nfs/dbraw/zinc/78/79/93/385787993.db2.gz QJUVKSAJYXIXBO-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1ccncc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282793664 385787997 /nfs/dbraw/zinc/78/79/97/385787997.db2.gz QJUVKSAJYXIXBO-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2C[C@H]2CCC=CO2)no1 ZINC000365797503 385783670 /nfs/dbraw/zinc/78/36/70/385783670.db2.gz SLNOOAGRYKAWEK-MNOVXSKESA-N 1 2 235.287 1.899 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2C[C@H]2CCC=CO2)no1 ZINC000365797503 385783677 /nfs/dbraw/zinc/78/36/77/385783677.db2.gz SLNOOAGRYKAWEK-MNOVXSKESA-N 1 2 235.287 1.899 20 0 BDADLO O=C1OC[C@H]2C[N@H+](CCC(F)(F)F)CCN12 ZINC000363868621 385784311 /nfs/dbraw/zinc/78/43/11/385784311.db2.gz XFHKEUXPAMWHPU-SSDOTTSWSA-N 1 2 238.209 1.075 20 0 BDADLO O=C1OC[C@H]2C[N@@H+](CCC(F)(F)F)CCN12 ZINC000363868621 385784313 /nfs/dbraw/zinc/78/43/13/385784313.db2.gz XFHKEUXPAMWHPU-SSDOTTSWSA-N 1 2 238.209 1.075 20 0 BDADLO c1ncc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000294004901 385784392 /nfs/dbraw/zinc/78/43/92/385784392.db2.gz MMAWFRPTQQCOSC-ZIAGYGMSSA-N 1 2 245.326 1.620 20 0 BDADLO c1ncc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000294004901 385784398 /nfs/dbraw/zinc/78/43/98/385784398.db2.gz MMAWFRPTQQCOSC-ZIAGYGMSSA-N 1 2 245.326 1.620 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccon1 ZINC000309591047 385720487 /nfs/dbraw/zinc/72/04/87/385720487.db2.gz UTSPEWDZQKLWGU-MRVPVSSYSA-N 1 2 225.292 1.240 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)C(C)C ZINC000271173171 385798405 /nfs/dbraw/zinc/79/84/05/385798405.db2.gz YKAZXFWFURKCDH-LLVKDONJSA-N 1 2 237.303 1.528 20 0 BDADLO Cn1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000271185620 385799354 /nfs/dbraw/zinc/79/93/54/385799354.db2.gz QFVCZPAALWJARF-LBPRGKRZSA-N 1 2 245.330 1.870 20 0 BDADLO Cc1cc(CC[NH2+]Cc2cn[nH]c2C)on1 ZINC000336713151 385803212 /nfs/dbraw/zinc/80/32/12/385803212.db2.gz UEYKRCLPNQUJGH-UHFFFAOYSA-N 1 2 220.276 1.347 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000308316840 385856542 /nfs/dbraw/zinc/85/65/42/385856542.db2.gz XKRGLADFEMOQEG-SSDOTTSWSA-N 1 2 211.277 1.051 20 0 BDADLO CSC[C@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000308316840 385856545 /nfs/dbraw/zinc/85/65/45/385856545.db2.gz XKRGLADFEMOQEG-SSDOTTSWSA-N 1 2 211.277 1.051 20 0 BDADLO c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1cnccn1 ZINC000571601203 385804625 /nfs/dbraw/zinc/80/46/25/385804625.db2.gz IQYBCYFKROISJL-NSHDSACASA-N 1 2 229.287 1.367 20 0 BDADLO c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1cnccn1 ZINC000571601203 385804631 /nfs/dbraw/zinc/80/46/31/385804631.db2.gz IQYBCYFKROISJL-NSHDSACASA-N 1 2 229.287 1.367 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H]2CCC[C@H]21 ZINC000337862761 385810212 /nfs/dbraw/zinc/81/02/12/385810212.db2.gz JLCWYKXHFQPTNW-MWLCHTKSSA-N 1 2 243.314 1.742 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000365837891 385822072 /nfs/dbraw/zinc/82/20/72/385822072.db2.gz MNBGJDGSHQMLKQ-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO COCC[C@H]1COCC[N@H+]1CCC(F)(F)F ZINC000365837891 385822076 /nfs/dbraw/zinc/82/20/76/385822076.db2.gz MNBGJDGSHQMLKQ-VIFPVBQESA-N 1 2 241.253 1.676 20 0 BDADLO CCC[C@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)OC ZINC000354928625 385823052 /nfs/dbraw/zinc/82/30/52/385823052.db2.gz UKYFBZZSZLNMNT-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CF)[nH]1 ZINC000294216651 385823473 /nfs/dbraw/zinc/82/34/73/385823473.db2.gz YOFAHCJXOZUGNH-SNVBAGLBSA-N 1 2 240.278 1.735 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CF)[nH]1 ZINC000294216651 385823475 /nfs/dbraw/zinc/82/34/75/385823475.db2.gz YOFAHCJXOZUGNH-SNVBAGLBSA-N 1 2 240.278 1.735 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000271424285 385827073 /nfs/dbraw/zinc/82/70/73/385827073.db2.gz VNAXBSUKIVBYSH-WPRPVWTQSA-N 1 2 237.303 1.263 20 0 BDADLO CC(C)CC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000284252845 385857924 /nfs/dbraw/zinc/85/79/24/385857924.db2.gz VTYZSDJQBILGCG-LBPRGKRZSA-N 1 2 245.330 1.925 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccccn2)ncn1 ZINC000294307344 385835017 /nfs/dbraw/zinc/83/50/17/385835017.db2.gz VNYHLLSMYZUEMI-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccccn2)ncn1 ZINC000294307344 385835020 /nfs/dbraw/zinc/83/50/20/385835020.db2.gz VNYHLLSMYZUEMI-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO O=c1[nH]nc(C2CC[NH+](C/C=C/Cl)CC2)o1 ZINC000283915168 385839277 /nfs/dbraw/zinc/83/92/77/385839277.db2.gz GDWHJWLSJWQRSK-DAFODLJHSA-N 1 2 243.694 1.295 20 0 BDADLO c1coc([C@@H]2C[C@H]2[NH2+]Cc2ccn[nH]2)c1 ZINC000414575904 385842972 /nfs/dbraw/zinc/84/29/72/385842972.db2.gz FPRPFNRREJCGMA-NXEZZACHSA-N 1 2 203.245 1.648 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644837209 385847357 /nfs/dbraw/zinc/84/73/57/385847357.db2.gz HWLOHWZHRGRGRP-SCZZXKLOSA-N 1 2 225.313 1.730 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644837209 385847358 /nfs/dbraw/zinc/84/73/58/385847358.db2.gz HWLOHWZHRGRGRP-SCZZXKLOSA-N 1 2 225.313 1.730 20 0 BDADLO COC[C@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000271807351 385851628 /nfs/dbraw/zinc/85/16/28/385851628.db2.gz NQXLHHZKLIIUGP-ZDUSSCGKSA-N 1 2 247.298 1.855 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CC[C@@H](C)O ZINC000271126856 385789481 /nfs/dbraw/zinc/78/94/81/385789481.db2.gz LJRGMERDASNMBP-SNVBAGLBSA-N 1 2 237.303 1.625 20 0 BDADLO Cn1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000271117821 385789873 /nfs/dbraw/zinc/78/98/73/385789873.db2.gz IBOXFGWNAGQCOC-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000271117821 385789881 /nfs/dbraw/zinc/78/98/81/385789881.db2.gz IBOXFGWNAGQCOC-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000271123303 385790946 /nfs/dbraw/zinc/79/09/46/385790946.db2.gz KGJQDTOJRQRZGV-CMPLNLGQSA-N 1 2 249.314 1.673 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000282888349 385792709 /nfs/dbraw/zinc/79/27/09/385792709.db2.gz VXSVMRXQNMWGAO-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000282888349 385792714 /nfs/dbraw/zinc/79/27/14/385792714.db2.gz VXSVMRXQNMWGAO-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)s1 ZINC000282899619 385795515 /nfs/dbraw/zinc/79/55/15/385795515.db2.gz ZYVFMBBUILPOAE-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)s1 ZINC000282899619 385795518 /nfs/dbraw/zinc/79/55/18/385795518.db2.gz ZYVFMBBUILPOAE-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO COc1nccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000294711267 385885849 /nfs/dbraw/zinc/88/58/49/385885849.db2.gz FOIRNRWCBHJGDJ-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000294711267 385885854 /nfs/dbraw/zinc/88/58/54/385885854.db2.gz FOIRNRWCBHJGDJ-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000284924631 385889862 /nfs/dbraw/zinc/88/98/62/385889862.db2.gz VXSVMRXQNMWGAO-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000284924631 385889865 /nfs/dbraw/zinc/88/98/65/385889865.db2.gz VXSVMRXQNMWGAO-LLVKDONJSA-N 1 2 246.314 1.080 20 0 BDADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(F)F)CCC2 ZINC000365956621 385890178 /nfs/dbraw/zinc/89/01/78/385890178.db2.gz XQWGMBYCYHOPSG-MRVPVSSYSA-N 1 2 243.257 1.450 20 0 BDADLO COCc1nc(C)cc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000647843246 385893313 /nfs/dbraw/zinc/89/33/13/385893313.db2.gz BZAIKBVGORSCDQ-SECBINFHSA-N 1 2 247.302 1.250 20 0 BDADLO C[C@H]([NH2+]CC(N)=O)c1c(F)cccc1F ZINC000022144796 385894778 /nfs/dbraw/zinc/89/47/78/385894778.db2.gz WUONUGRWCXECAE-LURJTMIESA-N 1 2 214.215 1.101 20 0 BDADLO C[C@@H]([NH2+]CC(N)=O)c1c(F)cccc1F ZINC000022144793 385894897 /nfs/dbraw/zinc/89/48/97/385894897.db2.gz WUONUGRWCXECAE-ZCFIWIBFSA-N 1 2 214.215 1.101 20 0 BDADLO C[C@@H]1C[C@H](C)CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647845269 385896505 /nfs/dbraw/zinc/89/65/05/385896505.db2.gz ZHJNHCGDVPQVMG-AOOOYVTPSA-N 1 2 248.330 1.763 20 0 BDADLO C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647845269 385896507 /nfs/dbraw/zinc/89/65/07/385896507.db2.gz ZHJNHCGDVPQVMG-AOOOYVTPSA-N 1 2 248.330 1.763 20 0 BDADLO CC[C@@H](C)CCC(=O)NCCn1cc[nH+]c1 ZINC000285103684 385899918 /nfs/dbraw/zinc/89/99/18/385899918.db2.gz JLGTVWJGNSIPFD-LLVKDONJSA-N 1 2 223.320 1.826 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1C(F)F ZINC000338161877 385904297 /nfs/dbraw/zinc/90/42/97/385904297.db2.gz LXEFOZLRXCLIDN-IWSPIJDZSA-N 1 2 243.257 1.289 20 0 BDADLO C[C@@H](O)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000272476335 385906110 /nfs/dbraw/zinc/90/61/10/385906110.db2.gz NWFPNNQEOKIBOB-MWLCHTKSSA-N 1 2 233.315 1.561 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1CCSCC1 ZINC000201949557 385909161 /nfs/dbraw/zinc/90/91/61/385909161.db2.gz VJIYYTFOKZHOKZ-UHFFFAOYSA-N 1 2 239.344 1.239 20 0 BDADLO CC(C)c1nc(N2CC[C@](O)(C3CC3)C2)cc[nH+]1 ZINC000365976459 385909174 /nfs/dbraw/zinc/90/91/74/385909174.db2.gz ORONQACAZHSTQX-CQSZACIVSA-N 1 2 247.342 1.951 20 0 BDADLO CCOC(=O)CCCNc1nc(C)[nH+]cc1C ZINC000518796307 385909964 /nfs/dbraw/zinc/90/99/64/385909964.db2.gz ZYUASIWQQSBXII-UHFFFAOYSA-N 1 2 237.303 1.271 20 0 BDADLO CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353173732 385918900 /nfs/dbraw/zinc/91/89/00/385918900.db2.gz PABMFOMQOBODTI-SECBINFHSA-N 1 2 220.263 1.242 20 0 BDADLO CC(=O)NCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353173732 385918906 /nfs/dbraw/zinc/91/89/06/385918906.db2.gz PABMFOMQOBODTI-SECBINFHSA-N 1 2 220.263 1.242 20 0 BDADLO c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)nc1 ZINC000285376898 385920537 /nfs/dbraw/zinc/92/05/37/385920537.db2.gz RJGAJXKTWVQRAO-AWEZNQCLSA-N 1 2 248.326 1.463 20 0 BDADLO c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)nc1 ZINC000285376898 385920540 /nfs/dbraw/zinc/92/05/40/385920540.db2.gz RJGAJXKTWVQRAO-AWEZNQCLSA-N 1 2 248.326 1.463 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000338234111 385924652 /nfs/dbraw/zinc/92/46/52/385924652.db2.gz XLKUOHCOZRISFP-ZDCRXTMVSA-N 1 2 239.315 1.095 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CCSCC2)[nH]1 ZINC000272710550 385926232 /nfs/dbraw/zinc/92/62/32/385926232.db2.gz AYJMONWCHVZSQI-UHFFFAOYSA-N 1 2 240.328 1.350 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccncc1F ZINC000337953323 385861295 /nfs/dbraw/zinc/86/12/95/385861295.db2.gz JRWGVLCPHYIEJK-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CS[C@@H](C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284345918 385863443 /nfs/dbraw/zinc/86/34/43/385863443.db2.gz JUHCTNVOFJKTLC-RTMURIBGSA-N 1 2 225.317 1.291 20 0 BDADLO CC[C@H](CSC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284341702 385864039 /nfs/dbraw/zinc/86/40/39/385864039.db2.gz JJDKKSODYWISHD-XNPJLODASA-N 1 2 239.344 1.681 20 0 BDADLO Cc1c[nH]nc1CN(C)Cc1[nH+]ccn1C ZINC000284354690 385864929 /nfs/dbraw/zinc/86/49/29/385864929.db2.gz YUJBXJMJBLEABM-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO CC(Cl)(Cl)C(=O)NCc1[nH]cc[nH+]1 ZINC000271984416 385865820 /nfs/dbraw/zinc/86/58/20/385865820.db2.gz XEICTKUNBJIYQF-UHFFFAOYSA-N 1 2 222.075 1.220 20 0 BDADLO C[C@@H](NC(=O)C[C@](C)(O)C1CC1)c1[nH]cc[nH+]1 ZINC000647809071 385867384 /nfs/dbraw/zinc/86/73/84/385867384.db2.gz NFFKOULCJIVHOB-PELKAZGASA-N 1 2 237.303 1.138 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000272107426 385875777 /nfs/dbraw/zinc/87/57/77/385875777.db2.gz MULXRXRJZGCTNL-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000272107426 385875780 /nfs/dbraw/zinc/87/57/80/385875780.db2.gz MULXRXRJZGCTNL-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2CCn3cncc3C2)O1 ZINC000647940570 385877305 /nfs/dbraw/zinc/87/73/05/385877305.db2.gz HVTGOFUPYWDBHY-ZYHUDNBSSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2CCn3cncc3C2)O1 ZINC000647940570 385877309 /nfs/dbraw/zinc/87/73/09/385877309.db2.gz HVTGOFUPYWDBHY-ZYHUDNBSSA-N 1 2 221.304 1.266 20 0 BDADLO C[C@@H]1CC[C@H](CN2CCn3c[nH+]cc3C2)O1 ZINC000647940570 385877313 /nfs/dbraw/zinc/87/73/13/385877313.db2.gz HVTGOFUPYWDBHY-ZYHUDNBSSA-N 1 2 221.304 1.266 20 0 BDADLO O=C(CC(F)(F)F)N1CCc2[nH]c[nH+]c2C1 ZINC000647735806 385877672 /nfs/dbraw/zinc/87/76/72/385877672.db2.gz NAKQWANNOHDJKB-UHFFFAOYSA-N 1 2 233.193 1.247 20 0 BDADLO O=C(CC(F)(F)F)N1CCc2[nH+]c[nH]c2C1 ZINC000647735806 385877676 /nfs/dbraw/zinc/87/76/76/385877676.db2.gz NAKQWANNOHDJKB-UHFFFAOYSA-N 1 2 233.193 1.247 20 0 BDADLO COc1nccc(C[N@@H+]2CCOC[C@H]2C2CC2)n1 ZINC000294679340 385882226 /nfs/dbraw/zinc/88/22/26/385882226.db2.gz DBHDHLQHGPRMSS-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO COc1nccc(C[N@H+]2CCOC[C@H]2C2CC2)n1 ZINC000294679340 385882228 /nfs/dbraw/zinc/88/22/28/385882228.db2.gz DBHDHLQHGPRMSS-LBPRGKRZSA-N 1 2 249.314 1.096 20 0 BDADLO Cc1cc(CC(=O)Nc2cc[nH+]c(C)c2)n(C)n1 ZINC000335020552 385980364 /nfs/dbraw/zinc/98/03/64/385980364.db2.gz DNEPSPCFEVAYLQ-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CCO)CCCC1 ZINC000285988400 385984507 /nfs/dbraw/zinc/98/45/07/385984507.db2.gz LBKFPLMCTASPIP-ONEGZZNKSA-N 1 2 249.314 1.234 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)N1CCC1 ZINC000334321429 385985989 /nfs/dbraw/zinc/98/59/89/385985989.db2.gz WVWBDMFVABSYRI-NSHDSACASA-N 1 2 230.311 1.796 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)N1CCC1 ZINC000334321429 385985991 /nfs/dbraw/zinc/98/59/91/385985991.db2.gz WVWBDMFVABSYRI-NSHDSACASA-N 1 2 230.311 1.796 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295185526 385986557 /nfs/dbraw/zinc/98/65/57/385986557.db2.gz JVASTICALNBEIE-UHFFFAOYSA-N 1 2 241.298 1.489 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295185526 385986561 /nfs/dbraw/zinc/98/65/61/385986561.db2.gz JVASTICALNBEIE-UHFFFAOYSA-N 1 2 241.298 1.489 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000285477758 385931460 /nfs/dbraw/zinc/93/14/60/385931460.db2.gz BOWFRLPYHRHHLR-MRVPVSSYSA-N 1 2 212.293 1.758 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000285477758 385931467 /nfs/dbraw/zinc/93/14/67/385931467.db2.gz BOWFRLPYHRHHLR-MRVPVSSYSA-N 1 2 212.293 1.758 20 0 BDADLO CC[C@H]1C[C@@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338272042 385934381 /nfs/dbraw/zinc/93/43/81/385934381.db2.gz XYSPHGWOPKYPNM-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO c1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c2c([nH+]1)NCCO2 ZINC000645383857 385937677 /nfs/dbraw/zinc/93/76/77/385937677.db2.gz ZSUXVBHCTSMWNJ-KXUCPTDWSA-N 1 2 246.314 1.881 20 0 BDADLO c1nc2c(c(N[C@@H]3CCC[C@@H]4C[C@@H]43)[nH+]1)OCCN2 ZINC000645383857 385937681 /nfs/dbraw/zinc/93/76/81/385937681.db2.gz ZSUXVBHCTSMWNJ-KXUCPTDWSA-N 1 2 246.314 1.881 20 0 BDADLO Cc1[nH]c(C(=O)NCCCCOC(C)C)c[nH+]1 ZINC000272834087 385939863 /nfs/dbraw/zinc/93/98/63/385939863.db2.gz INVZTXINLYSMBA-UHFFFAOYSA-N 1 2 239.319 1.653 20 0 BDADLO Clc1ccccc1C[NH+]1CC(n2ccnn2)C1 ZINC000335045691 385941099 /nfs/dbraw/zinc/94/10/99/385941099.db2.gz APUFBDLZZDWMRA-UHFFFAOYSA-N 1 2 248.717 1.988 20 0 BDADLO C[C@H](NCc1[nH]cc[nH+]1)c1c(F)cncc1F ZINC000285562051 385943642 /nfs/dbraw/zinc/94/36/42/385943642.db2.gz SOZQNGDQHXHNTI-ZETCQYMHSA-N 1 2 238.241 1.934 20 0 BDADLO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000335047522 385944347 /nfs/dbraw/zinc/94/43/47/385944347.db2.gz VDIBUPIEJATGKP-WDSKDSINSA-N 1 2 244.241 1.136 20 0 BDADLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)C(C)C ZINC000647743459 385946627 /nfs/dbraw/zinc/94/66/27/385946627.db2.gz RYNPKQDSUDBGSO-VXGBXAGGSA-N 1 2 242.363 1.210 20 0 BDADLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)C(C)C ZINC000647743459 385946631 /nfs/dbraw/zinc/94/66/31/385946631.db2.gz RYNPKQDSUDBGSO-VXGBXAGGSA-N 1 2 242.363 1.210 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)OC ZINC000189236489 385955690 /nfs/dbraw/zinc/95/56/90/385955690.db2.gz QLSRWVUSRYBDOS-NXEZZACHSA-N 1 2 243.347 1.874 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@]2(C)CCOC2)c[nH+]1 ZINC000335058474 385959063 /nfs/dbraw/zinc/95/90/63/385959063.db2.gz OSQGKBRGHNMEQG-AWEZNQCLSA-N 1 2 248.326 1.741 20 0 BDADLO CCC[C@H]1C[N@H+](Cc2cnc(C)cn2)CCO1 ZINC000340223166 386006221 /nfs/dbraw/zinc/00/62/21/386006221.db2.gz VFNRNKNQJPCNPC-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@H]1C[N@@H+](Cc2cnc(C)cn2)CCO1 ZINC000340223166 386006225 /nfs/dbraw/zinc/00/62/25/386006225.db2.gz VFNRNKNQJPCNPC-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CCO[C@H]1COCC[C@@H]1Nc1cccc[nH+]1 ZINC000336770554 386009242 /nfs/dbraw/zinc/00/92/42/386009242.db2.gz TWYNSURWPHBONY-QWRGUYRKSA-N 1 2 222.288 1.688 20 0 BDADLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)C[C@H]2C[C@H]2C1 ZINC000338489812 386018405 /nfs/dbraw/zinc/01/84/05/386018405.db2.gz UTPRDVCARRSISB-IMRBUKKESA-N 1 2 247.342 1.826 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCCC1(F)F ZINC000643271819 386019842 /nfs/dbraw/zinc/01/98/42/386019842.db2.gz PDZYEMGLEPAGGM-QMMMGPOBSA-N 1 2 229.230 1.187 20 0 BDADLO COCc1ccc(CN(C)Cc2[nH+]ccn2C)o1 ZINC000273696151 386024332 /nfs/dbraw/zinc/02/43/32/386024332.db2.gz CHYPJGSGAFIBAU-UHFFFAOYSA-N 1 2 249.314 1.792 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000295385152 386024610 /nfs/dbraw/zinc/02/46/10/386024610.db2.gz PJPAVXNUORDOPI-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000295385152 386024615 /nfs/dbraw/zinc/02/46/15/386024615.db2.gz PJPAVXNUORDOPI-UWVGGRQHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000295424506 386029564 /nfs/dbraw/zinc/02/95/64/386029564.db2.gz SNBBQZOEVBWQSG-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000295424506 386029570 /nfs/dbraw/zinc/02/95/70/386029570.db2.gz SNBBQZOEVBWQSG-VIFPVBQESA-N 1 2 224.304 1.982 20 0 BDADLO Cc1ccoc1CN(C)Cc1[nH+]ccn1C ZINC000273766655 386033189 /nfs/dbraw/zinc/03/31/89/386033189.db2.gz PYTUGBUCNZAEIU-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000334428928 386038890 /nfs/dbraw/zinc/03/88/90/386038890.db2.gz SZQPKXBQKHQASP-UHFFFAOYSA-N 1 2 248.330 1.242 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000159448731 386041570 /nfs/dbraw/zinc/04/15/70/386041570.db2.gz KSYSHEIGQXADIN-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@H](O)[C@H](C)C2)no1 ZINC000159448731 386041575 /nfs/dbraw/zinc/04/15/75/386041575.db2.gz KSYSHEIGQXADIN-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO C[NH2+]Cc1noc(/C=C\c2cnccc2C)n1 ZINC000414642176 386043315 /nfs/dbraw/zinc/04/33/15/386043315.db2.gz KRTMRRUUDVQVTB-ARJAWSKDSA-N 1 2 230.271 1.663 20 0 BDADLO COc1nccc(C[N@@H+]2CCC[C@@H]2CF)n1 ZINC000295596723 386057368 /nfs/dbraw/zinc/05/73/68/386057368.db2.gz CKEBDPRJIOEIME-SNVBAGLBSA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccc(C[N@H+]2CCC[C@@H]2CF)n1 ZINC000295596723 386057371 /nfs/dbraw/zinc/05/73/71/386057371.db2.gz CKEBDPRJIOEIME-SNVBAGLBSA-N 1 2 225.267 1.419 20 0 BDADLO Cc1nocc1C[NH+]1CCN(CC(F)F)CC1 ZINC000295513242 386045104 /nfs/dbraw/zinc/04/51/04/386045104.db2.gz ZILRRLYCTVOWEG-UHFFFAOYSA-N 1 2 245.273 1.366 20 0 BDADLO CO[C@H](C[N@@H+]1CCNC(=O)[C@H]1C)c1ccccc1 ZINC000338549053 386045463 /nfs/dbraw/zinc/04/54/63/386045463.db2.gz MEPNGUNAWRLOHP-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@H](C[N@H+]1CCNC(=O)[C@H]1C)c1ccccc1 ZINC000338549053 386045468 /nfs/dbraw/zinc/04/54/68/386045468.db2.gz MEPNGUNAWRLOHP-DGCLKSJQSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cc(CNC(=O)[C@@H]2CCO[C@H]2C)cc(C)[nH+]1 ZINC000335076643 386046707 /nfs/dbraw/zinc/04/67/07/386046707.db2.gz ZXVLGKYTIBGRMS-WCQYABFASA-N 1 2 248.326 1.740 20 0 BDADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cn[nH]c1 ZINC000273966728 386055565 /nfs/dbraw/zinc/05/55/65/386055565.db2.gz GGCNSDXLRCLVRT-QMMMGPOBSA-N 1 2 249.318 1.941 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1c(C)cccc1Cl ZINC000295924428 386105467 /nfs/dbraw/zinc/10/54/67/386105467.db2.gz GPGILKVRYIEHPH-UHFFFAOYSA-N 1 2 240.734 1.956 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1c(C)cccc1Cl ZINC000295924428 386105474 /nfs/dbraw/zinc/10/54/74/386105474.db2.gz GPGILKVRYIEHPH-UHFFFAOYSA-N 1 2 240.734 1.956 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000287252715 386107328 /nfs/dbraw/zinc/10/73/28/386107328.db2.gz XKKITABOLODLBP-JTQLQIEISA-N 1 2 237.303 1.889 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000424886953 386119214 /nfs/dbraw/zinc/11/92/14/386119214.db2.gz FHUOSHDWPXVHCC-YPMHNXCESA-N 1 2 249.358 1.905 20 0 BDADLO C[N@H+](Cc1cccc(Cl)n1)C(C)(C)C(N)=O ZINC000295603749 386060404 /nfs/dbraw/zinc/06/04/04/386060404.db2.gz CQADGMUHQZCBIR-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO C[N@@H+](Cc1cccc(Cl)n1)C(C)(C)C(N)=O ZINC000295603749 386060410 /nfs/dbraw/zinc/06/04/10/386060410.db2.gz CQADGMUHQZCBIR-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC=C(C)C ZINC000336753557 386064020 /nfs/dbraw/zinc/06/40/20/386064020.db2.gz FAAUUANLORFQLU-UHFFFAOYSA-N 1 2 217.276 1.834 20 0 BDADLO Cc1cc(NC(=O)CCc2ccn(C)n2)cc[nH+]1 ZINC000340237340 386064391 /nfs/dbraw/zinc/06/43/91/386064391.db2.gz UGWKGVWNBVDEAZ-UHFFFAOYSA-N 1 2 244.298 1.117 20 0 BDADLO Cc1[nH]c(C(=O)NCc2cccs2)c[nH+]1 ZINC000334443986 386064652 /nfs/dbraw/zinc/06/46/52/386064652.db2.gz DKNNCRYXUFEARO-UHFFFAOYSA-N 1 2 221.285 1.710 20 0 BDADLO CC(C)n1cc[nH+]c1CN1CC[C@@](F)(CO)C1 ZINC000338591478 386066263 /nfs/dbraw/zinc/06/62/63/386066263.db2.gz IWENVDZFFGDAIO-LBPRGKRZSA-N 1 2 241.310 1.370 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cn(C)nn1 ZINC000335073420 386066349 /nfs/dbraw/zinc/06/63/49/386066349.db2.gz NDSNWIZUKUDEPM-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cn(C)nn1 ZINC000335073420 386066353 /nfs/dbraw/zinc/06/63/53/386066353.db2.gz NDSNWIZUKUDEPM-NSHDSACASA-N 1 2 242.326 1.762 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](C/C=C/Cl)[C@@H]12 ZINC000366643085 386069513 /nfs/dbraw/zinc/06/95/13/386069513.db2.gz OLNXIWUQMLDIFP-RERFFNDZSA-N 1 2 215.680 1.376 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](C/C=C/Cl)[C@@H]12 ZINC000366643085 386069515 /nfs/dbraw/zinc/06/95/15/386069515.db2.gz OLNXIWUQMLDIFP-RERFFNDZSA-N 1 2 215.680 1.376 20 0 BDADLO C[NH2+]Cc1noc([C@H](Cc2ccccc2)OC)n1 ZINC000414649576 386070970 /nfs/dbraw/zinc/07/09/70/386070970.db2.gz XAUYPQYXNPQRHP-NSHDSACASA-N 1 2 247.298 1.719 20 0 BDADLO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331837780 386073368 /nfs/dbraw/zinc/07/33/68/386073368.db2.gz YZWAOAZMWUUPGE-WHGOUJPWSA-N 1 2 239.319 1.527 20 0 BDADLO C[C@]1(F)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000295757524 386081970 /nfs/dbraw/zinc/08/19/70/386081970.db2.gz NZUJISZWNLWSMV-PCAWENJQSA-N 1 2 237.278 1.774 20 0 BDADLO Cc1cncc(C[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000189771638 386088406 /nfs/dbraw/zinc/08/84/06/386088406.db2.gz CULHJRXKLVOVJD-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cncc(C[N@@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000189771638 386088413 /nfs/dbraw/zinc/08/84/13/386088413.db2.gz CULHJRXKLVOVJD-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1c(Cl)cnn1C ZINC000189752521 386089007 /nfs/dbraw/zinc/08/90/07/386089007.db2.gz RBTMMOAXMZWYRE-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1c(Cl)cnn1C ZINC000189752521 386089012 /nfs/dbraw/zinc/08/90/12/386089012.db2.gz RBTMMOAXMZWYRE-QMMMGPOBSA-N 1 2 231.727 1.540 20 0 BDADLO Cn1cnnc1C[N@H+](C)[C@@H]1C=CCCC1 ZINC000286991649 386089699 /nfs/dbraw/zinc/08/96/99/386089699.db2.gz PNYFLTDNWPRTIS-SNVBAGLBSA-N 1 2 206.293 1.356 20 0 BDADLO Cn1cnnc1C[N@@H+](C)[C@@H]1C=CCCC1 ZINC000286991649 386089705 /nfs/dbraw/zinc/08/97/05/386089705.db2.gz PNYFLTDNWPRTIS-SNVBAGLBSA-N 1 2 206.293 1.356 20 0 BDADLO COc1ccncc1C[NH2+]Cc1cc(C)no1 ZINC000310166750 386151710 /nfs/dbraw/zinc/15/17/10/386151710.db2.gz KAJFPBCYLOYPAG-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1cnc(C[NH2+][C@H](CCO)c2ccco2)cn1 ZINC000346134421 386164286 /nfs/dbraw/zinc/16/42/86/386164286.db2.gz DESSPKCYFGOVGL-GFCCVEGCSA-N 1 2 247.298 1.591 20 0 BDADLO FC(F)Cn1cc(C[NH2+]Cc2ncc[nH]2)cn1 ZINC000310312244 386172790 /nfs/dbraw/zinc/17/27/90/386172790.db2.gz UFFKFPPZKZTNFR-UHFFFAOYSA-N 1 2 241.245 1.161 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@H]2CC)cn1 ZINC000414373290 386174663 /nfs/dbraw/zinc/17/46/63/386174663.db2.gz RJTCLBWAGTYVAA-GFCCVEGCSA-N 1 2 235.331 1.650 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@H]2CC)cn1 ZINC000414373290 386174665 /nfs/dbraw/zinc/17/46/65/386174665.db2.gz RJTCLBWAGTYVAA-GFCCVEGCSA-N 1 2 235.331 1.650 20 0 BDADLO CC(=O)c1cccc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000296530489 386182437 /nfs/dbraw/zinc/18/24/37/386182437.db2.gz NGLUFGWICDAQBG-UHFFFAOYSA-N 1 2 248.326 1.409 20 0 BDADLO CC(=O)c1cccc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000296530489 386182441 /nfs/dbraw/zinc/18/24/41/386182441.db2.gz NGLUFGWICDAQBG-UHFFFAOYSA-N 1 2 248.326 1.409 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000274598387 386127810 /nfs/dbraw/zinc/12/78/10/386127810.db2.gz LTWKPTMLQBBSSF-GHMZBOCLSA-N 1 2 235.331 1.671 20 0 BDADLO Cc1nc(N(C)CC2CCCCC2)nc(N)[nH+]1 ZINC000310123444 386130527 /nfs/dbraw/zinc/13/05/27/386130527.db2.gz VPBOBBPNNXYYSY-UHFFFAOYSA-N 1 2 235.335 1.779 20 0 BDADLO Cc1nc(N)nc(N(C)CC2CCCCC2)[nH+]1 ZINC000310123444 386130534 /nfs/dbraw/zinc/13/05/34/386130534.db2.gz VPBOBBPNNXYYSY-UHFFFAOYSA-N 1 2 235.335 1.779 20 0 BDADLO CCN(C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000296072019 386133440 /nfs/dbraw/zinc/13/34/40/386133440.db2.gz PNNKFLPXOMTSQP-SECBINFHSA-N 1 2 224.308 1.768 20 0 BDADLO Cc1c[nH]nc1C[N@@H+](C(C)C)C1COC1 ZINC000296091527 386135256 /nfs/dbraw/zinc/13/52/56/386135256.db2.gz RGUWWXQMGOHJSN-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@H+](C(C)C)C1COC1 ZINC000296091527 386135261 /nfs/dbraw/zinc/13/52/61/386135261.db2.gz RGUWWXQMGOHJSN-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCCF ZINC000287555410 386135707 /nfs/dbraw/zinc/13/57/07/386135707.db2.gz PDCDYHRHHIEVHQ-UHFFFAOYSA-N 1 2 211.240 1.789 20 0 BDADLO CC(C)[N@H+](Cc1cnc2cnccn12)C1COC1 ZINC000296140376 386142347 /nfs/dbraw/zinc/14/23/47/386142347.db2.gz VCMYFBPLCYHAAJ-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO CC(C)[N@@H+](Cc1cnc2cnccn12)C1COC1 ZINC000296140376 386142355 /nfs/dbraw/zinc/14/23/55/386142355.db2.gz VCMYFBPLCYHAAJ-UHFFFAOYSA-N 1 2 246.314 1.339 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000428083864 386201337 /nfs/dbraw/zinc/20/13/37/386201337.db2.gz LPMTXZMCLCSJTC-SYEHKZFSSA-N 1 2 245.326 1.360 20 0 BDADLO Cc1cc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000347050701 386203842 /nfs/dbraw/zinc/20/38/42/386203842.db2.gz UGFWOZFHQQAFFI-PUTJDCORSA-N 1 2 239.344 1.131 20 0 BDADLO CC1(C)CN(c2cc(CO)cc[nH+]2)CCCO1 ZINC000310572366 386208672 /nfs/dbraw/zinc/20/86/72/386208672.db2.gz OMLHSALXNOYLKI-UHFFFAOYSA-N 1 2 236.315 1.579 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2C[C@H]2C)cc(C)[nH+]1 ZINC000643318570 386217964 /nfs/dbraw/zinc/21/79/64/386217964.db2.gz SKCMPNACRMAZMP-PELKAZGASA-N 1 2 218.300 1.971 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2C[C@@H]2C)cc(C)[nH+]1 ZINC000643318573 386218683 /nfs/dbraw/zinc/21/86/83/386218683.db2.gz SKCMPNACRMAZMP-UFBFGSQYSA-N 1 2 218.300 1.971 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(F)(F)F ZINC000288615572 386220231 /nfs/dbraw/zinc/22/02/31/386220231.db2.gz NUUSKDJDZFLYCT-ZCFIWIBFSA-N 1 2 235.209 1.409 20 0 BDADLO Cc1nc([C@@H]2C[N@H+](C[C@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000408360504 386222007 /nfs/dbraw/zinc/22/20/07/386222007.db2.gz VEDAMFDWKYULJI-GDPRMGEGSA-N 1 2 236.319 1.142 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+](C[C@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000408360504 386222010 /nfs/dbraw/zinc/22/20/10/386222010.db2.gz VEDAMFDWKYULJI-GDPRMGEGSA-N 1 2 236.319 1.142 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)[C@H]1CCOC1 ZINC000275648071 386226489 /nfs/dbraw/zinc/22/64/89/386226489.db2.gz BRTQCOVOOTVEKF-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000275648071 386226496 /nfs/dbraw/zinc/22/64/96/386226496.db2.gz BRTQCOVOOTVEKF-QMMMGPOBSA-N 1 2 229.711 1.294 20 0 BDADLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)s1 ZINC000264359121 386228193 /nfs/dbraw/zinc/22/81/93/386228193.db2.gz YGBYRJSRDPPVMO-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1nnc2ccccn21 ZINC000340562999 386231423 /nfs/dbraw/zinc/23/14/23/386231423.db2.gz MECGSTROPFGSKU-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1nnc2ccccn21 ZINC000340562999 386231426 /nfs/dbraw/zinc/23/14/26/386231426.db2.gz MECGSTROPFGSKU-UHFFFAOYSA-N 1 2 242.286 1.051 20 0 BDADLO O=C(OC1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000297179614 386231495 /nfs/dbraw/zinc/23/14/95/386231495.db2.gz SUMFVDDMVWHFJE-UHFFFAOYSA-N 1 2 235.287 1.778 20 0 BDADLO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(F)(F)F ZINC000424956838 386234094 /nfs/dbraw/zinc/23/40/94/386234094.db2.gz LYIPPWRVNNOUQH-LURJTMIESA-N 1 2 249.236 1.754 20 0 BDADLO C[C@H](NC(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000288798957 386235217 /nfs/dbraw/zinc/23/52/17/386235217.db2.gz KPEQRJSRPFBUFZ-YFKPBYRVSA-N 1 2 236.197 1.160 20 0 BDADLO COC(C)(C)C(=O)NCCNc1cccc[nH+]1 ZINC000264436881 386237869 /nfs/dbraw/zinc/23/78/69/386237869.db2.gz CXJRSRFVGPRHRM-UHFFFAOYSA-N 1 2 237.303 1.035 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccncc1F ZINC000226225417 386239723 /nfs/dbraw/zinc/23/97/23/386239723.db2.gz NTXKLFSSVOEYAP-UHFFFAOYSA-N 1 2 248.261 1.226 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339089631 386241711 /nfs/dbraw/zinc/24/17/11/386241711.db2.gz ALSWYXSIZPVULN-MNOVXSKESA-N 1 2 237.347 1.904 20 0 BDADLO C[N@H+](CCCS(C)(=O)=O)CCC(F)(F)F ZINC000336643666 386252790 /nfs/dbraw/zinc/25/27/90/386252790.db2.gz DFALGZUMUUTYBL-UHFFFAOYSA-N 1 2 247.282 1.305 20 0 BDADLO C[N@@H+](CCCS(C)(=O)=O)CCC(F)(F)F ZINC000336643666 386252794 /nfs/dbraw/zinc/25/27/94/386252794.db2.gz DFALGZUMUUTYBL-UHFFFAOYSA-N 1 2 247.282 1.305 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)nc1 ZINC000339111852 386256453 /nfs/dbraw/zinc/25/64/53/386256453.db2.gz GJBFMFGBKBICME-YPMHNXCESA-N 1 2 238.306 1.549 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)nc1 ZINC000339111852 386256455 /nfs/dbraw/zinc/25/64/55/386256455.db2.gz GJBFMFGBKBICME-YPMHNXCESA-N 1 2 238.306 1.549 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)nc1 ZINC000339111846 386256682 /nfs/dbraw/zinc/25/66/82/386256682.db2.gz GJBFMFGBKBICME-AAEUAGOBSA-N 1 2 238.306 1.549 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)nc1 ZINC000339111846 386256687 /nfs/dbraw/zinc/25/66/87/386256687.db2.gz GJBFMFGBKBICME-AAEUAGOBSA-N 1 2 238.306 1.549 20 0 BDADLO Cc1[nH]c(C(=O)NCCc2ccccc2C)c[nH+]1 ZINC000264652704 386258084 /nfs/dbraw/zinc/25/80/84/386258084.db2.gz GRQUFIIRXNJYSN-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc2[nH+]ccn2c1 ZINC000428099961 386194797 /nfs/dbraw/zinc/19/47/97/386194797.db2.gz CTDMAAMIWYWOLL-PJXYFTJBSA-N 1 2 241.294 1.863 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc2[nH+]ccn2c1 ZINC000428099962 386195083 /nfs/dbraw/zinc/19/50/83/386195083.db2.gz CTDMAAMIWYWOLL-PTEHBNRSSA-N 1 2 241.294 1.863 20 0 BDADLO CC(C)c1noc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000275255780 386195157 /nfs/dbraw/zinc/19/51/57/386195157.db2.gz ZGPULEQRPFLEBT-QMMMGPOBSA-N 1 2 235.291 1.767 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCOCC23CC3)n1 ZINC000338997469 386198504 /nfs/dbraw/zinc/19/85/04/386198504.db2.gz CXIZYIAXNPNQJE-UHFFFAOYSA-N 1 2 234.299 1.460 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCOCC23CC3)n1 ZINC000338997469 386198506 /nfs/dbraw/zinc/19/85/06/386198506.db2.gz CXIZYIAXNPNQJE-UHFFFAOYSA-N 1 2 234.299 1.460 20 0 BDADLO CO[C@@H]1CCC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000340583546 386281213 /nfs/dbraw/zinc/28/12/13/386281213.db2.gz HNJGMJYCILAMBR-MWLCHTKSSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@@H]1CCC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000340583546 386281219 /nfs/dbraw/zinc/28/12/19/386281219.db2.gz HNJGMJYCILAMBR-MWLCHTKSSA-N 1 2 237.303 1.231 20 0 BDADLO CCCCN1CC(=O)N[C@@H]1c1c[nH+]cn1CC ZINC000416383610 386283279 /nfs/dbraw/zinc/28/32/79/386283279.db2.gz COPMNQKAVMCSCX-LBPRGKRZSA-N 1 2 236.319 1.134 20 0 BDADLO Cc1nc(C[N@H+](C)CCOCCO)c(C)s1 ZINC000336665989 386289421 /nfs/dbraw/zinc/28/94/21/386289421.db2.gz KPXKWNGVYXNZQO-UHFFFAOYSA-N 1 2 244.360 1.201 20 0 BDADLO Cc1nc(C[N@@H+](C)CCOCCO)c(C)s1 ZINC000336665989 386289427 /nfs/dbraw/zinc/28/94/27/386289427.db2.gz KPXKWNGVYXNZQO-UHFFFAOYSA-N 1 2 244.360 1.201 20 0 BDADLO COC1(CC[N@H+](C)Cc2nncn2C)CCC1 ZINC000339199991 386291908 /nfs/dbraw/zinc/29/19/08/386291908.db2.gz NANLTJOUCVZLSR-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO COC1(CC[N@@H+](C)Cc2nncn2C)CCC1 ZINC000339199991 386291913 /nfs/dbraw/zinc/29/19/13/386291913.db2.gz NANLTJOUCVZLSR-UHFFFAOYSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000336661019 386300931 /nfs/dbraw/zinc/30/09/31/386300931.db2.gz JVBWSXPDHUFUNC-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000336661019 386300936 /nfs/dbraw/zinc/30/09/36/386300936.db2.gz JVBWSXPDHUFUNC-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335266073 386303464 /nfs/dbraw/zinc/30/34/64/386303464.db2.gz RTCAKYFFPPYYAG-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000335266073 386303469 /nfs/dbraw/zinc/30/34/69/386303469.db2.gz RTCAKYFFPPYYAG-RNCFNFMXSA-N 1 2 236.315 1.982 20 0 BDADLO CC(C)CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276337832 386305423 /nfs/dbraw/zinc/30/54/23/386305423.db2.gz WGLOKJJPMGRUBY-UHFFFAOYSA-N 1 2 234.307 1.404 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)c1cccn1C ZINC000298173908 386306087 /nfs/dbraw/zinc/30/60/87/386306087.db2.gz USBNFVICMXJOHU-UHFFFAOYSA-N 1 2 232.287 1.031 20 0 BDADLO Cc1cnc(C[N@@H+]2CCSC[C@H]2CCO)o1 ZINC000336674197 386310570 /nfs/dbraw/zinc/31/05/70/386310570.db2.gz LNODFJKFJNZHPA-SNVBAGLBSA-N 1 2 242.344 1.283 20 0 BDADLO Cc1cnc(C[N@H+]2CCSC[C@H]2CCO)o1 ZINC000336674197 386310573 /nfs/dbraw/zinc/31/05/73/386310573.db2.gz LNODFJKFJNZHPA-SNVBAGLBSA-N 1 2 242.344 1.283 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCO2)c[nH+]1 ZINC000264706089 386264223 /nfs/dbraw/zinc/26/42/23/386264223.db2.gz NXQUHVPUFXUXIK-XVKPBYJWSA-N 1 2 223.276 1.015 20 0 BDADLO COC[C@H]1CCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000297612870 386266666 /nfs/dbraw/zinc/26/66/66/386266666.db2.gz BASBHZOOMHEGLC-LLVKDONJSA-N 1 2 235.287 1.643 20 0 BDADLO Cc1occc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000414392279 386268195 /nfs/dbraw/zinc/26/81/95/386268195.db2.gz BKSGNAWGBHCYDV-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000414392279 386268197 /nfs/dbraw/zinc/26/81/97/386268197.db2.gz BKSGNAWGBHCYDV-JOYOIKCWSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000416318802 386275661 /nfs/dbraw/zinc/27/56/61/386275661.db2.gz GHCPHBSZXBISPP-NGZCFLSTSA-N 1 2 235.331 1.764 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289268780 386277008 /nfs/dbraw/zinc/27/70/08/386277008.db2.gz DWMSRANFJZZFAK-OLZOCXBDSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289268780 386277011 /nfs/dbraw/zinc/27/70/11/386277011.db2.gz DWMSRANFJZZFAK-OLZOCXBDSA-N 1 2 246.310 1.577 20 0 BDADLO CCSCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336644381 386277105 /nfs/dbraw/zinc/27/71/05/386277105.db2.gz GENGARFZHPXXHN-UHFFFAOYSA-N 1 2 228.361 1.046 20 0 BDADLO CCSCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336644381 386277106 /nfs/dbraw/zinc/27/71/06/386277106.db2.gz GENGARFZHPXXHN-UHFFFAOYSA-N 1 2 228.361 1.046 20 0 BDADLO CCc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)nc1 ZINC000339177147 386277107 /nfs/dbraw/zinc/27/71/07/386277107.db2.gz OAWZETOXKXFIDS-ZDUSSCGKSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)nc1 ZINC000339177147 386277110 /nfs/dbraw/zinc/27/71/10/386277110.db2.gz OAWZETOXKXFIDS-ZDUSSCGKSA-N 1 2 238.306 1.550 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCO)o1 ZINC000265507145 386343338 /nfs/dbraw/zinc/34/33/38/386343338.db2.gz OJDCPZBJKLBIEL-LBPRGKRZSA-N 1 2 239.315 1.598 20 0 BDADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCO)o1 ZINC000265507145 386343344 /nfs/dbraw/zinc/34/33/44/386343344.db2.gz OJDCPZBJKLBIEL-LBPRGKRZSA-N 1 2 239.315 1.598 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc(C)sc1C ZINC000339293528 386350436 /nfs/dbraw/zinc/35/04/36/386350436.db2.gz RKDUNPRVSHJBTF-JTQLQIEISA-N 1 2 226.345 1.981 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc(C)sc1C ZINC000339293528 386350439 /nfs/dbraw/zinc/35/04/39/386350439.db2.gz RKDUNPRVSHJBTF-JTQLQIEISA-N 1 2 226.345 1.981 20 0 BDADLO CSCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000265602100 386350856 /nfs/dbraw/zinc/35/08/56/386350856.db2.gz LXXLKJFNXSOPLM-UHFFFAOYSA-N 1 2 213.306 1.201 20 0 BDADLO C[C@]1([NH2+]CCOc2ccccc2)CCOC1=O ZINC000289740298 386351036 /nfs/dbraw/zinc/35/10/36/386351036.db2.gz YBYOZCIMDGFIIJ-ZDUSSCGKSA-N 1 2 235.283 1.361 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](C)CCCCO ZINC000276602660 386351574 /nfs/dbraw/zinc/35/15/74/386351574.db2.gz FMNAUJCLPZIRCA-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](C)CCCCO ZINC000276602660 386351585 /nfs/dbraw/zinc/35/15/85/386351585.db2.gz FMNAUJCLPZIRCA-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000276686574 386365280 /nfs/dbraw/zinc/36/52/80/386365280.db2.gz PNGHCSHYZFGZPD-WTSVBCDHSA-N 1 2 205.261 1.338 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347381026 386373205 /nfs/dbraw/zinc/37/32/05/386373205.db2.gz NJYXYYJGQXTZOC-KOLCDFICSA-N 1 2 216.300 1.335 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347381026 386373211 /nfs/dbraw/zinc/37/32/11/386373211.db2.gz NJYXYYJGQXTZOC-KOLCDFICSA-N 1 2 216.300 1.335 20 0 BDADLO Cc1cc(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)n(C)n1 ZINC000334495066 386373678 /nfs/dbraw/zinc/37/36/78/386373678.db2.gz GNYSLHLRKIWEMW-UWVGGRQHSA-N 1 2 236.319 1.150 20 0 BDADLO Cn1nncc1C[N@@H+]1CCCc2occc2C1 ZINC000289953843 386376038 /nfs/dbraw/zinc/37/60/38/386376038.db2.gz BPXMDHLKNCOFNY-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO Cn1nncc1C[N@H+]1CCCc2occc2C1 ZINC000289953843 386376042 /nfs/dbraw/zinc/37/60/42/386376042.db2.gz BPXMDHLKNCOFNY-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO CC(C)=CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265826577 386376421 /nfs/dbraw/zinc/37/64/21/386376421.db2.gz PGOHSFFXPXLQBY-LLVKDONJSA-N 1 2 221.304 1.602 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+](C)Cc2ccoc2)C1=O ZINC000336697257 386377503 /nfs/dbraw/zinc/37/75/03/386377503.db2.gz KGIICLABTACLPN-GFCCVEGCSA-N 1 2 236.315 1.721 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+](C)Cc2ccoc2)C1=O ZINC000336697257 386377507 /nfs/dbraw/zinc/37/75/07/386377507.db2.gz KGIICLABTACLPN-GFCCVEGCSA-N 1 2 236.315 1.721 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(F)C1 ZINC000347392764 386379974 /nfs/dbraw/zinc/37/99/74/386379974.db2.gz UPMZSXHCODFUBW-SCZZXKLOSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CC[C@](C)(F)C1 ZINC000347392764 386379979 /nfs/dbraw/zinc/37/99/79/386379979.db2.gz UPMZSXHCODFUBW-SCZZXKLOSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC(N)=O ZINC000347392990 386380576 /nfs/dbraw/zinc/38/05/76/386380576.db2.gz LTCKQMNSGNBJPB-LLVKDONJSA-N 1 2 242.269 1.833 20 0 BDADLO CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(N)=O ZINC000347392990 386380577 /nfs/dbraw/zinc/38/05/77/386380577.db2.gz LTCKQMNSGNBJPB-LLVKDONJSA-N 1 2 242.269 1.833 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H](C)O ZINC000336775210 386384114 /nfs/dbraw/zinc/38/41/14/386384114.db2.gz YISMUVSSMMRABH-KXUCPTDWSA-N 1 2 229.320 1.077 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1ccccc1 ZINC000298779739 386384297 /nfs/dbraw/zinc/38/42/97/386384297.db2.gz ZIAHLOIBYYGVBK-UHFFFAOYSA-N 1 2 243.310 1.632 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)Cc1ccccc1 ZINC000276467422 386328443 /nfs/dbraw/zinc/32/84/43/386328443.db2.gz PRTWBURKRJUQTD-CYBMUJFWSA-N 1 2 245.326 1.445 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)Cc1ccccc1 ZINC000276467422 386328449 /nfs/dbraw/zinc/32/84/49/386328449.db2.gz PRTWBURKRJUQTD-CYBMUJFWSA-N 1 2 245.326 1.445 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cccc(O)c2)[nH]1 ZINC000292708490 386329718 /nfs/dbraw/zinc/32/97/18/386329718.db2.gz FCGYNPZGGIXTSU-MRVPVSSYSA-N 1 2 232.287 1.670 20 0 BDADLO COc1ccc(CNc2ccc(CO)c[nH+]2)cn1 ZINC000356330767 386335935 /nfs/dbraw/zinc/33/59/35/386335935.db2.gz CWGGMRMKPVNRQM-UHFFFAOYSA-N 1 2 245.282 1.012 20 0 BDADLO COC[C@@H]([NH2+]Cc1[nH]ncc1C)c1ccco1 ZINC000289654193 386339055 /nfs/dbraw/zinc/33/90/55/386339055.db2.gz YMZGXBZODPLMGN-LLVKDONJSA-N 1 2 235.287 1.788 20 0 BDADLO COC[C@@H]([NH2+]Cc1n[nH]cc1C)c1ccco1 ZINC000289654193 386339060 /nfs/dbraw/zinc/33/90/60/386339060.db2.gz YMZGXBZODPLMGN-LLVKDONJSA-N 1 2 235.287 1.788 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000339454402 386438974 /nfs/dbraw/zinc/43/89/74/386438974.db2.gz KDMCLDWCYWQLDV-QMMMGPOBSA-N 1 2 232.287 1.670 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000339454400 386439493 /nfs/dbraw/zinc/43/94/93/386439493.db2.gz KDMCLDWCYWQLDV-MRVPVSSYSA-N 1 2 232.287 1.670 20 0 BDADLO Cc1ccnc(C[N@H+](C)C[C@H]2CCCCO2)n1 ZINC000336716570 386443812 /nfs/dbraw/zinc/44/38/12/386443812.db2.gz VSGIGEILPRQGMB-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1ccnc(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000336716570 386443818 /nfs/dbraw/zinc/44/38/18/386443818.db2.gz VSGIGEILPRQGMB-GFCCVEGCSA-N 1 2 235.331 1.786 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C)o2)ccn1 ZINC000347552778 386450996 /nfs/dbraw/zinc/45/09/96/386450996.db2.gz CHXQVCGKYKSLJE-QMMMGPOBSA-N 1 2 248.286 1.632 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCc2cccnc21 ZINC000644861421 386389195 /nfs/dbraw/zinc/38/91/95/386389195.db2.gz SIJAVNGCUDYCCJ-NSHDSACASA-N 1 2 242.282 1.151 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCc2cccnc21 ZINC000644861421 386389199 /nfs/dbraw/zinc/38/91/99/386389199.db2.gz SIJAVNGCUDYCCJ-NSHDSACASA-N 1 2 242.282 1.151 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ncnn1C ZINC000276921495 386391071 /nfs/dbraw/zinc/39/10/71/386391071.db2.gz OOBVAWDEIUFNEJ-QMMMGPOBSA-N 1 2 244.302 1.656 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccnc1 ZINC000647970551 386398761 /nfs/dbraw/zinc/39/87/61/386398761.db2.gz WSZRZGBZAUCKOJ-ZJUUUORDSA-N 1 2 243.314 1.696 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCO[C@H](C)C2)nc1 ZINC000336706432 386398777 /nfs/dbraw/zinc/39/87/77/386398777.db2.gz RQUWRLGQWBVGJF-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@H+]2CCCO[C@H](C)C2)nc1 ZINC000336706432 386398784 /nfs/dbraw/zinc/39/87/84/386398784.db2.gz RQUWRLGQWBVGJF-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCO2)oc1C ZINC000336700684 386401630 /nfs/dbraw/zinc/40/16/30/386401630.db2.gz KVRZESSLGNEGOI-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCO2)oc1C ZINC000336700684 386401632 /nfs/dbraw/zinc/40/16/32/386401632.db2.gz KVRZESSLGNEGOI-LLVKDONJSA-N 1 2 224.304 1.902 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@H](C)C2)nc1 ZINC000336701978 386403763 /nfs/dbraw/zinc/40/37/63/386403763.db2.gz MOLVVLTVKDDKLD-LLVKDONJSA-N 1 2 221.304 1.253 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@H](C)C2)nc1 ZINC000336701978 386403768 /nfs/dbraw/zinc/40/37/68/386403768.db2.gz MOLVVLTVKDDKLD-LLVKDONJSA-N 1 2 221.304 1.253 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000336701980 386404984 /nfs/dbraw/zinc/40/49/84/386404984.db2.gz MOODMZBMMKNEMZ-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000336701980 386404986 /nfs/dbraw/zinc/40/49/86/386404986.db2.gz MOODMZBMMKNEMZ-SECBINFHSA-N 1 2 223.276 1.168 20 0 BDADLO CCOC1CC([N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000347446030 386407531 /nfs/dbraw/zinc/40/75/31/386407531.db2.gz HBCVJDVKZTTZSX-UHFFFAOYSA-N 1 2 243.347 1.827 20 0 BDADLO CCOC1CC([N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000347446030 386407535 /nfs/dbraw/zinc/40/75/35/386407535.db2.gz HBCVJDVKZTTZSX-UHFFFAOYSA-N 1 2 243.347 1.827 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1nnc(C)s1 ZINC000347455527 386413154 /nfs/dbraw/zinc/41/31/54/386413154.db2.gz NCIMEOYRGNLYOC-MRVPVSSYSA-N 1 2 229.349 1.439 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1nnc(C)s1 ZINC000347455527 386413160 /nfs/dbraw/zinc/41/31/60/386413160.db2.gz NCIMEOYRGNLYOC-MRVPVSSYSA-N 1 2 229.349 1.439 20 0 BDADLO C[C@@H](O)[C@@H](C)Sc1[nH+]cnc2[nH]ccc21 ZINC000266228947 386413438 /nfs/dbraw/zinc/41/34/38/386413438.db2.gz SQTBTMZZJKKSHE-RNFRBKRXSA-N 1 2 223.301 1.819 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)CC(C)(F)F ZINC000277183876 386416664 /nfs/dbraw/zinc/41/66/64/386416664.db2.gz VFFRXFNASJIYGA-UHFFFAOYSA-N 1 2 245.273 1.777 20 0 BDADLO C[C@@H](O)CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000266271845 386419165 /nfs/dbraw/zinc/41/91/65/386419165.db2.gz RHTZOWTYSZGUTG-SECBINFHSA-N 1 2 221.304 1.561 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000290382632 386424749 /nfs/dbraw/zinc/42/47/49/386424749.db2.gz IRDZFIJBKIQTHB-NXEZZACHSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000290382632 386424754 /nfs/dbraw/zinc/42/47/54/386424754.db2.gz IRDZFIJBKIQTHB-NXEZZACHSA-N 1 2 209.293 1.327 20 0 BDADLO CC(=O)CCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299241684 386428397 /nfs/dbraw/zinc/42/83/97/386428397.db2.gz BNJKIBXHAYOHJV-SNVBAGLBSA-N 1 2 237.303 1.147 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2nc(C)no2)sn1 ZINC000639097448 386430260 /nfs/dbraw/zinc/43/02/60/386430260.db2.gz LHWLCXLCOZSUIU-SSDOTTSWSA-N 1 2 238.316 1.994 20 0 BDADLO CCO[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000299251513 386432273 /nfs/dbraw/zinc/43/22/73/386432273.db2.gz ZMGJXSWMDOCVNW-SNVBAGLBSA-N 1 2 237.303 1.035 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2CC[C@@H](C)O)o1 ZINC000336712049 386435767 /nfs/dbraw/zinc/43/57/67/386435767.db2.gz NHQFYQVZXGKBDH-PWSUYJOCSA-N 1 2 239.315 1.732 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2CC[C@@H](C)O)o1 ZINC000336712049 386435771 /nfs/dbraw/zinc/43/57/71/386435771.db2.gz NHQFYQVZXGKBDH-PWSUYJOCSA-N 1 2 239.315 1.732 20 0 BDADLO FC(F)(F)c1ccnc(-n2cc[nH+]c2)n1 ZINC000058666339 386467668 /nfs/dbraw/zinc/46/76/68/386467668.db2.gz JYWPWCWBPKHLST-UHFFFAOYSA-N 1 2 214.150 1.681 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCC1CCCC1 ZINC000299579061 386468640 /nfs/dbraw/zinc/46/86/40/386468640.db2.gz JATNGAHETADIOW-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339572460 386469457 /nfs/dbraw/zinc/46/94/57/386469457.db2.gz VVEGLZVWQGQWPT-WDEREUQCSA-N 1 2 222.336 1.774 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000339572460 386469461 /nfs/dbraw/zinc/46/94/61/386469461.db2.gz VVEGLZVWQGQWPT-WDEREUQCSA-N 1 2 222.336 1.774 20 0 BDADLO CC(C)n1ccnc1C[N@H+](CCO)C1CC1 ZINC000299598831 386470010 /nfs/dbraw/zinc/47/00/10/386470010.db2.gz LSEOMJZIYSMIKE-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](CCO)C1CC1 ZINC000299598831 386470018 /nfs/dbraw/zinc/47/00/18/386470018.db2.gz LSEOMJZIYSMIKE-UHFFFAOYSA-N 1 2 223.320 1.421 20 0 BDADLO CCN(C)c1ccc(CNc2cccnn2)c[nH+]1 ZINC000191838104 386472793 /nfs/dbraw/zinc/47/27/93/386472793.db2.gz ALKBOBBCVYZQQT-UHFFFAOYSA-N 1 2 243.314 1.940 20 0 BDADLO CC(C)[C@@H](NC(=O)C(F)F)c1[nH]cc[nH+]1 ZINC000290775031 386473338 /nfs/dbraw/zinc/47/33/38/386473338.db2.gz QFDNOXYIUSBJCZ-ZCFIWIBFSA-N 1 2 217.219 1.488 20 0 BDADLO Cc1cnc(CC[N@@H+]2CC(=O)N[C@H](C)C2)c(C)c1 ZINC000335365518 386476596 /nfs/dbraw/zinc/47/65/96/386476596.db2.gz JJUYHFQMICWALK-GFCCVEGCSA-N 1 2 247.342 1.061 20 0 BDADLO Cc1cnc(CC[N@H+]2CC(=O)N[C@H](C)C2)c(C)c1 ZINC000335365518 386476600 /nfs/dbraw/zinc/47/66/00/386476600.db2.gz JJUYHFQMICWALK-GFCCVEGCSA-N 1 2 247.342 1.061 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000299699229 386480741 /nfs/dbraw/zinc/48/07/41/386480741.db2.gz ZNWZZFVIWQPQHT-NWDGAFQWSA-N 1 2 249.314 1.053 20 0 BDADLO CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000299693020 386480904 /nfs/dbraw/zinc/48/09/04/386480904.db2.gz WWFXYZMYZNWBLD-LBPRGKRZSA-N 1 2 235.331 1.922 20 0 BDADLO COC(=O)N1CC([NH2+][C@@H](C)c2cc(C)on2)C1 ZINC000290858320 386481672 /nfs/dbraw/zinc/48/16/72/386481672.db2.gz ZYMAIYGNXQNWNO-QMMMGPOBSA-N 1 2 239.275 1.084 20 0 BDADLO CC(=O)C1(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000645406533 386484875 /nfs/dbraw/zinc/48/48/75/386484875.db2.gz BQOYWNBDTYRQKZ-UHFFFAOYSA-N 1 2 243.266 1.642 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339580574 386486218 /nfs/dbraw/zinc/48/62/18/386486218.db2.gz IOMCCDQKJXRAFU-UWVGGRQHSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339580574 386486221 /nfs/dbraw/zinc/48/62/21/386486221.db2.gz IOMCCDQKJXRAFU-UWVGGRQHSA-N 1 2 208.309 1.528 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290917733 386486538 /nfs/dbraw/zinc/48/65/38/386486538.db2.gz JYZXMGRGDASOOI-GXTWGEPZSA-N 1 2 247.342 1.908 20 0 BDADLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000290906853 386486955 /nfs/dbraw/zinc/48/69/55/386486955.db2.gz IJXSNBJEVHRSJI-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO O=C(CCc1ccco1)N1CCn2c[nH+]cc2C1 ZINC000290940016 386489135 /nfs/dbraw/zinc/48/91/35/386489135.db2.gz OHWISDFAZCXDFN-UHFFFAOYSA-N 1 2 245.282 1.451 20 0 BDADLO O=C(C1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000290933616 386490338 /nfs/dbraw/zinc/49/03/38/386490338.db2.gz MXFIUDMKVXVQFL-UHFFFAOYSA-N 1 2 219.288 1.416 20 0 BDADLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000290953694 386491579 /nfs/dbraw/zinc/49/15/79/386491579.db2.gz QJWLVDNGDKPSRM-UHFFFAOYSA-N 1 2 231.255 1.441 20 0 BDADLO Cc1ocnc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000267125090 386498471 /nfs/dbraw/zinc/49/84/71/386498471.db2.gz OITQPQWPUICNBL-SECBINFHSA-N 1 2 248.286 1.246 20 0 BDADLO C[C@@H](CNC(=O)c1cc[nH]c1)Cn1cc[nH+]c1 ZINC000267139927 386499432 /nfs/dbraw/zinc/49/94/32/386499432.db2.gz QFFWRHLKRHVYGS-JTQLQIEISA-N 1 2 232.287 1.277 20 0 BDADLO O=C(CC1=CCCCC1)NCCc1[nH]cc[nH+]1 ZINC000135482044 386515543 /nfs/dbraw/zinc/51/55/43/386515543.db2.gz LGOTXVACEDQVOR-UHFFFAOYSA-N 1 2 233.315 1.959 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1CCC=CO1 ZINC000278461526 386530159 /nfs/dbraw/zinc/53/01/59/386530159.db2.gz FBGPMMODDVEZPJ-NSHDSACASA-N 1 2 221.304 1.545 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000278461526 386530163 /nfs/dbraw/zinc/53/01/63/386530163.db2.gz FBGPMMODDVEZPJ-NSHDSACASA-N 1 2 221.304 1.545 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000267238238 386516399 /nfs/dbraw/zinc/51/63/99/386516399.db2.gz RJBDPPUYTRQZIN-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000267238238 386516404 /nfs/dbraw/zinc/51/64/04/386516404.db2.gz RJBDPPUYTRQZIN-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO Cc1ccn2cc(CNC(=O)C(F)F)[nH+]c2c1 ZINC000278391143 386519949 /nfs/dbraw/zinc/51/99/49/386519949.db2.gz DUZFXNJXJSAZOL-UHFFFAOYSA-N 1 2 239.225 1.524 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000278390194 386520564 /nfs/dbraw/zinc/52/05/64/386520564.db2.gz MUWCORLGZRUYJQ-JTQLQIEISA-N 1 2 244.302 1.152 20 0 BDADLO C=Cn1cc(C[N@H+]2CCn3cnnc3[C@@H]2C)cn1 ZINC000278390194 386520570 /nfs/dbraw/zinc/52/05/70/386520570.db2.gz MUWCORLGZRUYJQ-JTQLQIEISA-N 1 2 244.302 1.152 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000061577714 386521128 /nfs/dbraw/zinc/52/11/28/386521128.db2.gz CDDFEIJIXUFTMU-YUMQZZPRSA-N 1 2 203.307 1.033 20 0 BDADLO C[C@H](O)C[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000291260248 386530330 /nfs/dbraw/zinc/53/03/30/386530330.db2.gz OPDUIRYJHVXEOJ-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[C@H](O)C[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000291260248 386530335 /nfs/dbraw/zinc/53/03/35/386530335.db2.gz OPDUIRYJHVXEOJ-VIFPVBQESA-N 1 2 226.320 1.785 20 0 BDADLO C[N@H+](Cc1ccon1)Cc1c[nH]c2nccnc12 ZINC000290563375 386453502 /nfs/dbraw/zinc/45/35/02/386453502.db2.gz XUHLBSNYIKMAKU-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO C[N@@H+](Cc1ccon1)Cc1c[nH]c2nccnc12 ZINC000290563375 386453512 /nfs/dbraw/zinc/45/35/12/386453512.db2.gz XUHLBSNYIKMAKU-UHFFFAOYSA-N 1 2 243.270 1.578 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2cnc(C)s2)n1 ZINC000336778688 386460444 /nfs/dbraw/zinc/46/04/44/386460444.db2.gz MAIWIHASTQDLGR-ZCFIWIBFSA-N 1 2 238.316 1.994 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCC(F)(F)F ZINC000335286864 386461135 /nfs/dbraw/zinc/46/11/35/386461135.db2.gz DKJJSHWCTIRMFE-AYVTZFPOSA-N 1 2 243.294 1.782 20 0 BDADLO C[C@H]1CC[S@](=O)CC[N@H+]1CCC(F)(F)F ZINC000335286864 386461141 /nfs/dbraw/zinc/46/11/41/386461141.db2.gz DKJJSHWCTIRMFE-AYVTZFPOSA-N 1 2 243.294 1.782 20 0 BDADLO CO[C@H]1COC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000290623336 386462966 /nfs/dbraw/zinc/46/29/66/386462966.db2.gz GODIRWHUNRKNMI-UWVGGRQHSA-N 1 2 235.287 1.180 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000425914630 386575087 /nfs/dbraw/zinc/57/50/87/386575087.db2.gz FUAYUIDKLJRCIM-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000425914630 386575092 /nfs/dbraw/zinc/57/50/92/386575092.db2.gz FUAYUIDKLJRCIM-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCc3n[nH]cc3C2)cn1 ZINC000408372722 386576506 /nfs/dbraw/zinc/57/65/06/386576506.db2.gz DFTQSICLRBAMES-SNVBAGLBSA-N 1 2 243.314 1.627 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCc3n[nH]cc3C2)cn1 ZINC000408372722 386576510 /nfs/dbraw/zinc/57/65/10/386576510.db2.gz DFTQSICLRBAMES-SNVBAGLBSA-N 1 2 243.314 1.627 20 0 BDADLO CCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC000267739628 386577511 /nfs/dbraw/zinc/57/75/11/386577511.db2.gz OCTLEMYMONGQQG-UHFFFAOYSA-N 1 2 221.304 1.722 20 0 BDADLO C[C@@H]1[C@@H]([NH2+]Cc2csnn2)CCCN1C ZINC000336757270 386581026 /nfs/dbraw/zinc/58/10/26/386581026.db2.gz JZGWWQDRPRLLLT-SCZZXKLOSA-N 1 2 226.349 1.110 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)n1 ZINC000329070385 386599045 /nfs/dbraw/zinc/59/90/45/386599045.db2.gz YLHKRYDSLTYIGL-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@H](c3nc(C)no3)C2)n1 ZINC000329070385 386599055 /nfs/dbraw/zinc/59/90/55/386599055.db2.gz YLHKRYDSLTYIGL-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC ZINC000336644109 386588260 /nfs/dbraw/zinc/58/82/60/386588260.db2.gz AANRKUMMDNMTOC-RKDXNWHRSA-N 1 2 217.334 1.423 20 0 BDADLO C[C@H](Cc1ccc(O)cc1)[NH2+]CC(F)(F)CO ZINC000228648889 386593835 /nfs/dbraw/zinc/59/38/35/386593835.db2.gz YGVQATSXUHXYKI-SECBINFHSA-N 1 2 245.269 1.540 20 0 BDADLO Cn1cc(NCc2[nH+]ccn2C)c(C2CC2)n1 ZINC000291285662 386531628 /nfs/dbraw/zinc/53/16/28/386531628.db2.gz PBZUUSBDTQDJOJ-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H](F)C1 ZINC000335457582 386536406 /nfs/dbraw/zinc/53/64/06/386536406.db2.gz HAJWTDFNFATYEJ-SNVBAGLBSA-N 1 2 247.273 1.447 20 0 BDADLO O=C(CCc1cccs1)Nc1cc[nH+]cc1O ZINC000336885835 386538944 /nfs/dbraw/zinc/53/89/44/386538944.db2.gz BAFSGWOLIWEEPG-UHFFFAOYSA-N 1 2 248.307 1.842 20 0 BDADLO COc1cc(C[NH+]2CC(NC(C)=O)C2)ccc1C ZINC000291408591 386542828 /nfs/dbraw/zinc/54/28/28/386542828.db2.gz GBQSICMEDMWVCZ-UHFFFAOYSA-N 1 2 248.326 1.324 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)[nH]1 ZINC000336906478 386546937 /nfs/dbraw/zinc/54/69/37/386546937.db2.gz XULUTLKEEIBACK-MNOVXSKESA-N 1 2 238.335 1.096 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)[nH]1 ZINC000336906478 386546944 /nfs/dbraw/zinc/54/69/44/386546944.db2.gz XULUTLKEEIBACK-MNOVXSKESA-N 1 2 238.335 1.096 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C)CC2(CCC2)O1 ZINC000335463673 386548650 /nfs/dbraw/zinc/54/86/50/386548650.db2.gz MWDXEFXAECGQGW-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C)CC2(CCC2)O1 ZINC000335463673 386548653 /nfs/dbraw/zinc/54/86/53/386548653.db2.gz MWDXEFXAECGQGW-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO Cc1n[nH]c(CCNc2[nH+]cnc3[nH]ccc32)n1 ZINC000267537156 386550368 /nfs/dbraw/zinc/55/03/68/386550368.db2.gz ZFODGYJETMWACU-UHFFFAOYSA-N 1 2 243.274 1.039 20 0 BDADLO Cc1nc(CCNc2[nH+]cnc3[nH]ccc32)n[nH]1 ZINC000267537156 386550373 /nfs/dbraw/zinc/55/03/73/386550373.db2.gz ZFODGYJETMWACU-UHFFFAOYSA-N 1 2 243.274 1.039 20 0 BDADLO Cc1nnc(CCNc2[nH+]cnc3[nH]ccc32)[nH]1 ZINC000267537156 386550378 /nfs/dbraw/zinc/55/03/78/386550378.db2.gz ZFODGYJETMWACU-UHFFFAOYSA-N 1 2 243.274 1.039 20 0 BDADLO Cc1nnc(C[N@H+](C)CCOc2ccccc2)[nH]1 ZINC000267574511 386554210 /nfs/dbraw/zinc/55/42/10/386554210.db2.gz HYKUJYZAQXOVIG-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCOc2ccccc2)[nH]1 ZINC000267574511 386554215 /nfs/dbraw/zinc/55/42/15/386554215.db2.gz HYKUJYZAQXOVIG-UHFFFAOYSA-N 1 2 246.314 1.624 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC000291624220 386560219 /nfs/dbraw/zinc/56/02/19/386560219.db2.gz RUPWECGYQGAWJW-UHFFFAOYSA-N 1 2 229.287 1.196 20 0 BDADLO C=Cn1cc(C[N@H+]2CCn3cncc3C2)cn1 ZINC000291624220 386560222 /nfs/dbraw/zinc/56/02/22/386560222.db2.gz RUPWECGYQGAWJW-UHFFFAOYSA-N 1 2 229.287 1.196 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccs1 ZINC000278679584 386567066 /nfs/dbraw/zinc/56/70/66/386567066.db2.gz QHXSRHIRQMQBJC-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCc1cccs1 ZINC000278679584 386567074 /nfs/dbraw/zinc/56/70/74/386567074.db2.gz QHXSRHIRQMQBJC-UHFFFAOYSA-N 1 2 235.312 1.639 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)CC1 ZINC000278703031 386569805 /nfs/dbraw/zinc/56/98/05/386569805.db2.gz BIIVKQFXESJERE-SNVBAGLBSA-N 1 2 235.331 1.909 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1CCCC1 ZINC000278724319 386572567 /nfs/dbraw/zinc/57/25/67/386572567.db2.gz SZXZKUWBQZEZGB-UHFFFAOYSA-N 1 2 221.304 1.567 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335497192 386620354 /nfs/dbraw/zinc/62/03/54/386620354.db2.gz ZBYPZIMQUAYNNU-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335497192 386620359 /nfs/dbraw/zinc/62/03/59/386620359.db2.gz ZBYPZIMQUAYNNU-SECBINFHSA-N 1 2 243.738 1.542 20 0 BDADLO COCC1([N@H+](C)Cc2nc(C(F)F)no2)CC1 ZINC000644928188 386621267 /nfs/dbraw/zinc/62/12/67/386621267.db2.gz NZZZCHGGLJLRCB-UHFFFAOYSA-N 1 2 247.245 1.618 20 0 BDADLO COCC1([N@@H+](C)Cc2nc(C(F)F)no2)CC1 ZINC000644928188 386621271 /nfs/dbraw/zinc/62/12/71/386621271.db2.gz NZZZCHGGLJLRCB-UHFFFAOYSA-N 1 2 247.245 1.618 20 0 BDADLO CN(CC(F)F)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343246695 386621306 /nfs/dbraw/zinc/62/13/06/386621306.db2.gz PDUOWCVFFNEFBX-QMMMGPOBSA-N 1 2 243.257 1.169 20 0 BDADLO COC[C@@H]([NH2+]Cc1ncc(C)o1)[C@H]1CCCO1 ZINC000279019733 386621578 /nfs/dbraw/zinc/62/15/78/386621578.db2.gz GNHGFCXPUIXIJX-GHMZBOCLSA-N 1 2 240.303 1.267 20 0 BDADLO CC[N@H+](CC(F)F)C[C@@H](OC)C1CC1 ZINC000644929475 386626779 /nfs/dbraw/zinc/62/67/79/386626779.db2.gz VNNKYLSKFANYEK-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO CC[N@@H+](CC(F)F)C[C@@H](OC)C1CC1 ZINC000644929475 386626783 /nfs/dbraw/zinc/62/67/83/386626783.db2.gz VNNKYLSKFANYEK-SECBINFHSA-N 1 2 207.264 1.998 20 0 BDADLO CO[C@H](C[N@@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000644930932 386628512 /nfs/dbraw/zinc/62/85/12/386628512.db2.gz ATNUWXUJSHMEQK-VHSXEESVSA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H](C[N@H+]1CC(F)(F)C[C@H]1CO)C1CC1 ZINC000644930932 386628517 /nfs/dbraw/zinc/62/85/17/386628517.db2.gz ATNUWXUJSHMEQK-VHSXEESVSA-N 1 2 235.274 1.113 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1cnn2ccccc12 ZINC000353537314 386633499 /nfs/dbraw/zinc/63/34/99/386633499.db2.gz ZVSOQNCZDXIMFU-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1cnn2ccccc12 ZINC000353537314 386633504 /nfs/dbraw/zinc/63/35/04/386633504.db2.gz ZVSOQNCZDXIMFU-UHFFFAOYSA-N 1 2 241.298 1.689 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CCC1 ZINC000279112867 386633764 /nfs/dbraw/zinc/63/37/64/386633764.db2.gz CELCPJPJZOUNMT-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]nn1)C1CCCCC1 ZINC000336758958 386655971 /nfs/dbraw/zinc/65/59/71/386655971.db2.gz LBAPYKALJXWBPT-SECBINFHSA-N 1 2 208.309 1.863 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]n1)C1CCCCC1 ZINC000336758958 386655975 /nfs/dbraw/zinc/65/59/75/386655975.db2.gz LBAPYKALJXWBPT-SECBINFHSA-N 1 2 208.309 1.863 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCCC(C)(C)C ZINC000337200138 386649538 /nfs/dbraw/zinc/64/95/38/386649538.db2.gz ZLTLSUNZWJPWSJ-UHFFFAOYSA-N 1 2 225.340 1.468 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCCC(C)(C)C ZINC000337200138 386649545 /nfs/dbraw/zinc/64/95/45/386649545.db2.gz ZLTLSUNZWJPWSJ-UHFFFAOYSA-N 1 2 225.340 1.468 20 0 BDADLO Cc1cccc(C[NH+]2CC(O)(C(F)F)C2)c1 ZINC000335513923 386650472 /nfs/dbraw/zinc/65/04/72/386650472.db2.gz PURXUORZPIZSSX-UHFFFAOYSA-N 1 2 227.254 1.807 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292313902 386650739 /nfs/dbraw/zinc/65/07/39/386650739.db2.gz DYGYNJILAHBLLK-JTQLQIEISA-N 1 2 235.283 1.443 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292313902 386650742 /nfs/dbraw/zinc/65/07/42/386650742.db2.gz DYGYNJILAHBLLK-JTQLQIEISA-N 1 2 235.283 1.443 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414472217 386652970 /nfs/dbraw/zinc/65/29/70/386652970.db2.gz RDFHJFWCXAEQTH-JTQLQIEISA-N 1 2 228.267 1.407 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000414472217 386652973 /nfs/dbraw/zinc/65/29/73/386652973.db2.gz RDFHJFWCXAEQTH-JTQLQIEISA-N 1 2 228.267 1.407 20 0 BDADLO COC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(=O)OC ZINC000336759159 386653130 /nfs/dbraw/zinc/65/31/30/386653130.db2.gz ITEKKVVAETWFIK-DCAQKATOSA-N 1 2 229.320 1.199 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc[nH+]1 ZINC000328953548 386653319 /nfs/dbraw/zinc/65/33/19/386653319.db2.gz YBFZNGYMHYLIQK-ONGXEEELSA-N 1 2 246.310 1.756 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@]1(C)C[C@H]1F ZINC000424844065 386599212 /nfs/dbraw/zinc/59/92/12/386599212.db2.gz KFORECPNHHWJDX-PWSUYJOCSA-N 1 2 238.262 1.455 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000106882524 386654751 /nfs/dbraw/zinc/65/47/51/386654751.db2.gz HRRVIVCHHWWZQZ-JTQLQIEISA-N 1 2 239.319 1.489 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000106882524 386654755 /nfs/dbraw/zinc/65/47/55/386654755.db2.gz HRRVIVCHHWWZQZ-JTQLQIEISA-N 1 2 239.319 1.489 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000366497396 386603364 /nfs/dbraw/zinc/60/33/64/386603364.db2.gz MRMIEINHLVBCMG-LXOKAJLYSA-N 1 2 237.752 1.105 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000366497396 386603369 /nfs/dbraw/zinc/60/33/69/386603369.db2.gz MRMIEINHLVBCMG-LXOKAJLYSA-N 1 2 237.752 1.105 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc[nH+]1 ZINC000337086738 386604022 /nfs/dbraw/zinc/60/40/22/386604022.db2.gz IGDASKQCBKEVMD-HLUHBDAQSA-N 1 2 234.299 1.564 20 0 BDADLO CC[C@@H]1C[C@H](CNCC(F)(F)C[NH3+])CCO1 ZINC000414922797 386604796 /nfs/dbraw/zinc/60/47/96/386604796.db2.gz DFDGFUJWKOQFSB-NXEZZACHSA-N 1 2 236.306 1.375 20 0 BDADLO COC1(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000648411064 386607303 /nfs/dbraw/zinc/60/73/03/386607303.db2.gz UPBQJJOUXLPKBL-BDAKNGLRSA-N 1 2 235.287 1.184 20 0 BDADLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000328672368 386607646 /nfs/dbraw/zinc/60/76/46/386607646.db2.gz OEKFOEXCCOOABV-GFCCVEGCSA-N 1 2 246.318 1.265 20 0 BDADLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000328672368 386607651 /nfs/dbraw/zinc/60/76/51/386607651.db2.gz OEKFOEXCCOOABV-GFCCVEGCSA-N 1 2 246.318 1.265 20 0 BDADLO CC(C)CCNc1[nH+]cnc(-n2cccn2)c1N ZINC000268462128 386655100 /nfs/dbraw/zinc/65/51/00/386655100.db2.gz LCPBRNBZISXHSR-UHFFFAOYSA-N 1 2 246.318 1.703 20 0 BDADLO C[C@H]1OCC[C@]1(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000278994233 386614417 /nfs/dbraw/zinc/61/44/17/386614417.db2.gz FDBHEFOPDJTIDM-RNCFNFMXSA-N 1 2 249.314 1.306 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/C1CC1 ZINC000292064652 386616954 /nfs/dbraw/zinc/61/69/54/386616954.db2.gz SJAJIKBPBNENJP-SNAWJCMRSA-N 1 2 205.261 1.003 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)C(C1CC1)C1CC1 ZINC000279244603 386655367 /nfs/dbraw/zinc/65/53/67/386655367.db2.gz QUHFMCWYQKMRDR-UHFFFAOYSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccon1 ZINC000336759384 386659354 /nfs/dbraw/zinc/65/93/54/386659354.db2.gz LHQGNGNLZKBEOV-QMMMGPOBSA-N 1 2 206.249 1.259 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CC1(F)F ZINC000335523107 386663861 /nfs/dbraw/zinc/66/38/61/386663861.db2.gz JQLFJRGPTCSNEZ-SNVBAGLBSA-N 1 2 226.226 1.796 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC1CCOCC1 ZINC000645002185 386663825 /nfs/dbraw/zinc/66/38/25/386663825.db2.gz SLLPEOGXBLJALA-LLVKDONJSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC1CCOCC1 ZINC000645002185 386663832 /nfs/dbraw/zinc/66/38/32/386663832.db2.gz SLLPEOGXBLJALA-LLVKDONJSA-N 1 2 249.301 1.505 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC12CC2 ZINC000335522453 386664030 /nfs/dbraw/zinc/66/40/30/386664030.db2.gz FEEUWOJXFYMILC-VIFPVBQESA-N 1 2 202.257 1.551 20 0 BDADLO O=S1(=O)CCC[C@H](COc2cc[nH+]cc2)C1 ZINC000292408623 386665950 /nfs/dbraw/zinc/66/59/50/386665950.db2.gz JDQQBWXPHIQOCZ-SNVBAGLBSA-N 1 2 241.312 1.285 20 0 BDADLO CC[C@@H](C)C[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC000645356942 386672901 /nfs/dbraw/zinc/67/29/01/386672901.db2.gz PVWZUTNBTKFGJE-KOLCDFICSA-N 1 2 223.320 1.994 20 0 BDADLO C[C@H](C[N@H+](C)Cc1ccoc1)CS(C)(=O)=O ZINC000330363495 386674971 /nfs/dbraw/zinc/67/49/71/386674971.db2.gz HXHMJXOFNFVTNU-SNVBAGLBSA-N 1 2 245.344 1.392 20 0 BDADLO C[C@H](C[N@@H+](C)Cc1ccoc1)CS(C)(=O)=O ZINC000330363495 386674975 /nfs/dbraw/zinc/67/49/75/386674975.db2.gz HXHMJXOFNFVTNU-SNVBAGLBSA-N 1 2 245.344 1.392 20 0 BDADLO Cc1cc(C(=O)Nc2c(C)cc[nH+]c2C)n(C)n1 ZINC000335529596 386675055 /nfs/dbraw/zinc/67/50/55/386675055.db2.gz NBFIYWPMQWIJSG-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccnc2)[C@@H](C)C1 ZINC000268663656 386677318 /nfs/dbraw/zinc/67/73/18/386677318.db2.gz IYQSWMUCGZZBNT-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccnc2)[C@@H](C)C1 ZINC000268663656 386677323 /nfs/dbraw/zinc/67/73/23/386677323.db2.gz IYQSWMUCGZZBNT-NSHDSACASA-N 1 2 233.315 1.134 20 0 BDADLO c1cc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)no1 ZINC000268692291 386681632 /nfs/dbraw/zinc/68/16/32/386681632.db2.gz PEPHAADRGMCATL-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO c1cc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)no1 ZINC000268692291 386681639 /nfs/dbraw/zinc/68/16/39/386681639.db2.gz PEPHAADRGMCATL-LBPRGKRZSA-N 1 2 245.282 1.723 20 0 BDADLO CC(C)n1nccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279267145 386657120 /nfs/dbraw/zinc/65/71/20/386657120.db2.gz VSUHKLJYIOQYMT-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO CC(C)COCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000330418023 386711272 /nfs/dbraw/zinc/71/12/72/386711272.db2.gz WGVAGZRGSHYYLC-JTQLQIEISA-N 1 2 246.376 1.612 20 0 BDADLO CC(C)COCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000330418023 386711280 /nfs/dbraw/zinc/71/12/80/386711280.db2.gz WGVAGZRGSHYYLC-JTQLQIEISA-N 1 2 246.376 1.612 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104519 386685101 /nfs/dbraw/zinc/68/51/01/386685101.db2.gz APYVIBQXKBMJII-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@H](CO)C2)no1 ZINC000050104519 386685109 /nfs/dbraw/zinc/68/51/09/386685109.db2.gz APYVIBQXKBMJII-SNVBAGLBSA-N 1 2 239.319 1.226 20 0 BDADLO C[C@@H](C[NH2+]CC(F)(F)CN)c1ccccc1 ZINC000414927412 386685802 /nfs/dbraw/zinc/68/58/02/386685802.db2.gz LARNXWIFFCOYJU-JTQLQIEISA-N 1 2 228.286 1.974 20 0 BDADLO CC(C)c1noc(C[N@@H+](CCO)C(C)C)n1 ZINC000050103737 386685988 /nfs/dbraw/zinc/68/59/88/386685988.db2.gz CGJNQOARZVYFGU-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+](CCO)C(C)C)n1 ZINC000050103737 386685992 /nfs/dbraw/zinc/68/59/92/386685992.db2.gz CGJNQOARZVYFGU-UHFFFAOYSA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cnoc1C ZINC000337237454 386686124 /nfs/dbraw/zinc/68/61/24/386686124.db2.gz MBCZPQSLHHGIKC-SECBINFHSA-N 1 2 240.303 1.757 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cnoc1C ZINC000337237454 386686130 /nfs/dbraw/zinc/68/61/30/386686130.db2.gz MBCZPQSLHHGIKC-SECBINFHSA-N 1 2 240.303 1.757 20 0 BDADLO Cn1nccc1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000337273402 386688721 /nfs/dbraw/zinc/68/87/21/386688721.db2.gz CRUWDZUYZMAZIV-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO CO[C@H](C)[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000292556080 386689202 /nfs/dbraw/zinc/68/92/02/386689202.db2.gz NLLNSSZSFBRGRD-NXEZZACHSA-N 1 2 247.298 1.488 20 0 BDADLO c1cc(N2CC[C@@H]3OCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000645328260 386692943 /nfs/dbraw/zinc/69/29/43/386692943.db2.gz KYJNKLHVLPQLQW-NEPJUHHUSA-N 1 2 245.326 1.969 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cccn2C)[nH]1 ZINC000292599525 386697064 /nfs/dbraw/zinc/69/70/64/386697064.db2.gz VTXLSRVGZMAAQL-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cccn2C)[nH]1 ZINC000292599525 386697071 /nfs/dbraw/zinc/69/70/71/386697071.db2.gz VTXLSRVGZMAAQL-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335475530 386698862 /nfs/dbraw/zinc/69/88/62/386698862.db2.gz KTVBKVORJOATKA-APPZFPTMSA-N 1 2 225.317 1.011 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)C(C)(F)F ZINC000292625864 386699244 /nfs/dbraw/zinc/69/92/44/386699244.db2.gz AOYLBTYFRGNWLR-QMMMGPOBSA-N 1 2 245.273 1.670 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C(C)C)C1CC1 ZINC000279561059 386702818 /nfs/dbraw/zinc/70/28/18/386702818.db2.gz YNBXCGMECMBPLJ-UHFFFAOYSA-N 1 2 221.304 1.660 20 0 BDADLO c1nc(C[NH+]2CCN(c3ccccc3)CC2)co1 ZINC000191919620 386703656 /nfs/dbraw/zinc/70/36/56/386703656.db2.gz CLMBMCYSQMMFQT-UHFFFAOYSA-N 1 2 243.310 1.997 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000643394947 386704464 /nfs/dbraw/zinc/70/44/64/386704464.db2.gz UYURQCQOLAHGLV-MWLCHTKSSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)n1 ZINC000643394947 386704470 /nfs/dbraw/zinc/70/44/70/386704470.db2.gz UYURQCQOLAHGLV-MWLCHTKSSA-N 1 2 247.302 1.583 20 0 BDADLO CCCC(CCC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC000191963375 386731171 /nfs/dbraw/zinc/73/11/71/386731171.db2.gz PNUVIPCMPSWADB-KOLCDFICSA-N 1 2 231.336 1.467 20 0 BDADLO C[NH2+]Cc1noc(CN2CCc3ccccc32)n1 ZINC000414495362 386731672 /nfs/dbraw/zinc/73/16/72/386731672.db2.gz BKMBTPCCUQNLAV-UHFFFAOYSA-N 1 2 244.298 1.352 20 0 BDADLO Cn1c[nH+]cc1COc1ccc2cncnc2c1 ZINC000357202395 386736062 /nfs/dbraw/zinc/73/60/62/386736062.db2.gz PYHPXFVUZLIICY-UHFFFAOYSA-N 1 2 240.266 1.942 20 0 BDADLO C[C@@H](O)CC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000330430745 386713803 /nfs/dbraw/zinc/71/38/03/386713803.db2.gz IKBZGHMEFWLDNN-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO C[C@@H](O)CC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000330430745 386713810 /nfs/dbraw/zinc/71/38/10/386713810.db2.gz IKBZGHMEFWLDNN-SNVBAGLBSA-N 1 2 240.351 1.236 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000352847560 386717971 /nfs/dbraw/zinc/71/79/71/386717971.db2.gz VDJHZPRZOHPLIG-ZDUSSCGKSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000352847560 386717978 /nfs/dbraw/zinc/71/79/78/386717978.db2.gz VDJHZPRZOHPLIG-ZDUSSCGKSA-N 1 2 249.289 1.680 20 0 BDADLO COC[C@H](O)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292758920 386721503 /nfs/dbraw/zinc/72/15/03/386721503.db2.gz OHYFHYLQJQHEFP-MNOVXSKESA-N 1 2 245.269 1.590 20 0 BDADLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000339864143 386726319 /nfs/dbraw/zinc/72/63/19/386726319.db2.gz CNOBRMXPIHUZTL-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000339864143 386726326 /nfs/dbraw/zinc/72/63/26/386726326.db2.gz CNOBRMXPIHUZTL-PHIMTYICSA-N 1 2 236.315 1.699 20 0 BDADLO CCC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000520678459 386727077 /nfs/dbraw/zinc/72/70/77/386727077.db2.gz ZDBKJZZZDLAJDO-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@H](CO)c2ccccc21 ZINC000292806186 386729975 /nfs/dbraw/zinc/72/99/75/386729975.db2.gz WVGYMBNCKBEVCB-LLVKDONJSA-N 1 2 243.310 1.516 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cn[nH]c1 ZINC000292903588 386745438 /nfs/dbraw/zinc/74/54/38/386745438.db2.gz KFBVQKDMWXCDPP-MRVPVSSYSA-N 1 2 248.334 1.676 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCCc3c[nH]nc32)c[nH+]1 ZINC000269083435 386748328 /nfs/dbraw/zinc/74/83/28/386748328.db2.gz WZLMHJRAYRRVDI-VIFPVBQESA-N 1 2 245.286 1.249 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000348526313 386751331 /nfs/dbraw/zinc/75/13/31/386751331.db2.gz TWZLMEBRMIDKJE-NSHDSACASA-N 1 2 205.257 1.606 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000348526313 386751335 /nfs/dbraw/zinc/75/13/35/386751335.db2.gz TWZLMEBRMIDKJE-NSHDSACASA-N 1 2 205.257 1.606 20 0 BDADLO c1nc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c[nH]1 ZINC000334153002 386752181 /nfs/dbraw/zinc/75/21/81/386752181.db2.gz NEIMBGPUCMRMPN-QWHCGFSZSA-N 1 2 247.342 1.943 20 0 BDADLO c1nc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c[nH]1 ZINC000334153002 386752188 /nfs/dbraw/zinc/75/21/88/386752188.db2.gz NEIMBGPUCMRMPN-QWHCGFSZSA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)[nH]1 ZINC000334153002 386752192 /nfs/dbraw/zinc/75/21/92/386752192.db2.gz NEIMBGPUCMRMPN-QWHCGFSZSA-N 1 2 247.342 1.943 20 0 BDADLO c1ncc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)[nH]1 ZINC000334153002 386752196 /nfs/dbraw/zinc/75/21/96/386752196.db2.gz NEIMBGPUCMRMPN-QWHCGFSZSA-N 1 2 247.342 1.943 20 0 BDADLO COc1cc(C[NH2+]Cc2cocn2)ccn1 ZINC000192284121 386752502 /nfs/dbraw/zinc/75/25/02/386752502.db2.gz WXQLCPDGHRDCDZ-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/C1CC1 ZINC000269117783 386752947 /nfs/dbraw/zinc/75/29/47/386752947.db2.gz SUAHOAUPGMUWQQ-AATRIKPKSA-N 1 2 233.315 1.698 20 0 BDADLO Cc1ccnc(SCC[NH+]2CCOCC2)n1 ZINC000269163884 386757704 /nfs/dbraw/zinc/75/77/04/386757704.db2.gz ZFTKMSUQXRHLSM-UHFFFAOYSA-N 1 2 239.344 1.209 20 0 BDADLO C[C@@H]1C[C@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000357321616 386758861 /nfs/dbraw/zinc/75/88/61/386758861.db2.gz ARDYQSVEYYVCFG-KOLCDFICSA-N 1 2 232.331 1.788 20 0 BDADLO C[C@@H]1C[C@H]1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000357321616 386758870 /nfs/dbraw/zinc/75/88/70/386758870.db2.gz ARDYQSVEYYVCFG-KOLCDFICSA-N 1 2 232.331 1.788 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000279942657 386761051 /nfs/dbraw/zinc/76/10/51/386761051.db2.gz GIJRUGZHFKZPEW-NSHDSACASA-N 1 2 220.272 1.754 20 0 BDADLO CSc1cncc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000357327739 386762582 /nfs/dbraw/zinc/76/25/82/386762582.db2.gz UVJRUUZCKMLIOH-SECBINFHSA-N 1 2 249.343 1.896 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H](C)C2)no1 ZINC000334144404 386742237 /nfs/dbraw/zinc/74/22/37/386742237.db2.gz XYKBYNWCPXBOQH-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H](C)C2)no1 ZINC000334144404 386742245 /nfs/dbraw/zinc/74/22/45/386742245.db2.gz XYKBYNWCPXBOQH-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877374 386796865 /nfs/dbraw/zinc/79/68/65/386796865.db2.gz BBBYTTBGPUFVFC-VHSXEESVSA-N 1 2 238.335 1.911 20 0 BDADLO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340877374 386796870 /nfs/dbraw/zinc/79/68/70/386796870.db2.gz BBBYTTBGPUFVFC-VHSXEESVSA-N 1 2 238.335 1.911 20 0 BDADLO CSCCCNC(=O)CCc1c[nH+]cn1C ZINC000280038985 386771868 /nfs/dbraw/zinc/77/18/68/386771868.db2.gz GRYBCGKSRXCIAZ-UHFFFAOYSA-N 1 2 241.360 1.222 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1nnc(C)o1 ZINC000330524408 386775979 /nfs/dbraw/zinc/77/59/79/386775979.db2.gz JYHNVRLTKSLJCU-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1nnc(C)o1 ZINC000330524408 386775987 /nfs/dbraw/zinc/77/59/87/386775987.db2.gz JYHNVRLTKSLJCU-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccncc2)[nH]1 ZINC000293125886 386779081 /nfs/dbraw/zinc/77/90/81/386779081.db2.gz KUXPSEGAXHFTHC-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccncc2)[nH]1 ZINC000293125886 386779086 /nfs/dbraw/zinc/77/90/86/386779086.db2.gz KUXPSEGAXHFTHC-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO FC1(F)CNCC[C@H]1[NH+]1CCCCC1 ZINC000307278456 386781335 /nfs/dbraw/zinc/78/13/35/386781335.db2.gz UPDXYZUQHSQLGD-SECBINFHSA-N 1 2 204.264 1.470 20 0 BDADLO FC1(F)C[NH2+]CC[C@H]1N1CCCCC1 ZINC000307278456 386781340 /nfs/dbraw/zinc/78/13/40/386781340.db2.gz UPDXYZUQHSQLGD-SECBINFHSA-N 1 2 204.264 1.470 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000394989814 386787525 /nfs/dbraw/zinc/78/75/25/386787525.db2.gz DPANYRQWAODIBQ-GHMZBOCLSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000394989814 386787530 /nfs/dbraw/zinc/78/75/30/386787530.db2.gz DPANYRQWAODIBQ-GHMZBOCLSA-N 1 2 238.335 1.033 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC000293443132 386820191 /nfs/dbraw/zinc/82/01/91/386820191.db2.gz CCCXLCHJPJDXQR-SECBINFHSA-N 1 2 245.273 1.578 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000293443132 386820197 /nfs/dbraw/zinc/82/01/97/386820197.db2.gz CCCXLCHJPJDXQR-SECBINFHSA-N 1 2 245.273 1.578 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)C[C@@H](C)O)cc[nH+]1 ZINC000340983785 386820983 /nfs/dbraw/zinc/82/09/83/386820983.db2.gz FHHXBXFHYJAJGF-NXEZZACHSA-N 1 2 237.303 1.093 20 0 BDADLO C[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000334772619 386821301 /nfs/dbraw/zinc/82/13/01/386821301.db2.gz YWRKKDLWRQEUNF-VHSXEESVSA-N 1 2 233.315 1.698 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)C[C@H](C)O)cc[nH+]1 ZINC000340983790 386822340 /nfs/dbraw/zinc/82/23/40/386822340.db2.gz FHHXBXFHYJAJGF-UWVGGRQHSA-N 1 2 237.303 1.093 20 0 BDADLO Cn1ncc(CNc2ccc([NH+](C)C)cc2)n1 ZINC000293280888 386798143 /nfs/dbraw/zinc/79/81/43/386798143.db2.gz OBXXZJADGANPDG-UHFFFAOYSA-N 1 2 231.303 1.493 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000344907458 386798514 /nfs/dbraw/zinc/79/85/14/386798514.db2.gz DDBUHGFBYMGVQF-SSDOTTSWSA-N 1 2 247.302 1.170 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000344907458 386798517 /nfs/dbraw/zinc/79/85/17/386798517.db2.gz DDBUHGFBYMGVQF-SSDOTTSWSA-N 1 2 247.302 1.170 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnccc1C ZINC000269472948 386799776 /nfs/dbraw/zinc/79/97/76/386799776.db2.gz LXLUXWAZEWNZRQ-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnccc1C ZINC000269472948 386799781 /nfs/dbraw/zinc/79/97/81/386799781.db2.gz LXLUXWAZEWNZRQ-LBPRGKRZSA-N 1 2 234.299 1.527 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000280308984 386800678 /nfs/dbraw/zinc/80/06/78/386800678.db2.gz YFOYVVZSERQTJJ-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO COCc1noc([C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000329760567 386801638 /nfs/dbraw/zinc/80/16/38/386801638.db2.gz QHVREUIQETVIKP-SECBINFHSA-N 1 2 223.276 1.515 20 0 BDADLO COCc1noc([C@H]2CCC[N@H+]2C2CC2)n1 ZINC000329760567 386801643 /nfs/dbraw/zinc/80/16/43/386801643.db2.gz QHVREUIQETVIKP-SECBINFHSA-N 1 2 223.276 1.515 20 0 BDADLO C[C@H]1OCC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000330638696 386809056 /nfs/dbraw/zinc/80/90/56/386809056.db2.gz VZXXSSWBQWRHLF-GHMZBOCLSA-N 1 2 249.314 1.035 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cnc(C)nc1 ZINC000340913754 386810334 /nfs/dbraw/zinc/81/03/34/386810334.db2.gz UNGZWINBDMTQAQ-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cnc(C)nc1 ZINC000340913754 386810340 /nfs/dbraw/zinc/81/03/40/386810340.db2.gz UNGZWINBDMTQAQ-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C[C@H](C)O ZINC000340984695 386810957 /nfs/dbraw/zinc/81/09/57/386810957.db2.gz GDAXTJSPOWGCBX-ZJUUUORDSA-N 1 2 237.303 1.093 20 0 BDADLO CC(C)(C)[C@@H]1C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000280428050 386812822 /nfs/dbraw/zinc/81/28/22/386812822.db2.gz JGLMQODVEUSMMX-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000280428050 386812829 /nfs/dbraw/zinc/81/28/29/386812829.db2.gz JGLMQODVEUSMMX-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO C[C@@H]1CCC[N@@H+]1Cc1nnnn1CC(F)(F)F ZINC000190920501 386814110 /nfs/dbraw/zinc/81/41/10/386814110.db2.gz MSCUGOJAVLFKKA-SSDOTTSWSA-N 1 2 249.240 1.220 20 0 BDADLO C[C@@H]1CCC[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000190920501 386814112 /nfs/dbraw/zinc/81/41/12/386814112.db2.gz MSCUGOJAVLFKKA-SSDOTTSWSA-N 1 2 249.240 1.220 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](Cc2cc[nH]n2)CCO1 ZINC000280428042 386814059 /nfs/dbraw/zinc/81/40/59/386814059.db2.gz JGLMQODVEUSMMX-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000280428042 386814064 /nfs/dbraw/zinc/81/40/64/386814064.db2.gz JGLMQODVEUSMMX-LLVKDONJSA-N 1 2 223.320 1.657 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000293506632 386824653 /nfs/dbraw/zinc/82/46/53/386824653.db2.gz VCGRDRCPKMLBNH-KWQFWETISA-N 1 2 247.298 1.243 20 0 BDADLO c1c(CCNc2cnccn2)[nH+]c2ccccn12 ZINC000301059489 386815505 /nfs/dbraw/zinc/81/55/05/386815505.db2.gz CLPUHLKDFOGKHV-UHFFFAOYSA-N 1 2 239.282 1.779 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)C2CCCC2)[nH+]1 ZINC000450902195 386825916 /nfs/dbraw/zinc/82/59/16/386825916.db2.gz JMMNMNMFQDFEMH-SECBINFHSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H](C)C2CCCC2)nc(N(C)C)[nH+]1 ZINC000450902195 386825919 /nfs/dbraw/zinc/82/59/19/386825919.db2.gz JMMNMNMFQDFEMH-SECBINFHSA-N 1 2 249.362 1.659 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]CCC1(O)CCC1)C(=O)OC ZINC000411521298 386826386 /nfs/dbraw/zinc/82/63/86/386826386.db2.gz SUNZBVIGVXZJRA-QWRGUYRKSA-N 1 2 243.347 1.469 20 0 BDADLO COc1cc(C[NH2+]Cc2ncc(C)n2C)ccn1 ZINC000341042896 386828222 /nfs/dbraw/zinc/82/82/22/386828222.db2.gz OTFGTSOZTXOGLQ-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO COc1cc(CNCc2[nH+]cc(C)n2C)ccn1 ZINC000341042896 386828225 /nfs/dbraw/zinc/82/82/25/386828225.db2.gz OTFGTSOZTXOGLQ-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO C[C@H](O)CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000249383481 386828891 /nfs/dbraw/zinc/82/88/91/386828891.db2.gz VUKCDJISDUDCLO-JSGCOSHPSA-N 1 2 234.343 1.356 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCOCC1 ZINC000330129895 386831234 /nfs/dbraw/zinc/83/12/34/386831234.db2.gz KECZYRATRPNEDX-GFCCVEGCSA-N 1 2 248.326 1.821 20 0 BDADLO CCO[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280670645 386835229 /nfs/dbraw/zinc/83/52/29/386835229.db2.gz BJSYURVRYIJAEL-SECBINFHSA-N 1 2 233.271 1.698 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCCCCC1 ZINC000334782044 386837693 /nfs/dbraw/zinc/83/76/93/386837693.db2.gz SZOYKTLBKPVVOC-UHFFFAOYSA-N 1 2 235.331 1.755 20 0 BDADLO CCOCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280719537 386841437 /nfs/dbraw/zinc/84/14/37/386841437.db2.gz CADNFDKIXKPLGY-UHFFFAOYSA-N 1 2 248.286 1.492 20 0 BDADLO C[C@H](CCO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280714348 386841450 /nfs/dbraw/zinc/84/14/50/386841450.db2.gz BMJHEJHHCMQNTO-SECBINFHSA-N 1 2 248.286 1.227 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)on1 ZINC000341124872 386841944 /nfs/dbraw/zinc/84/19/44/386841944.db2.gz MJMAZXNTEYXWHA-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)on1 ZINC000341124872 386841949 /nfs/dbraw/zinc/84/19/49/386841949.db2.gz MJMAZXNTEYXWHA-QMMMGPOBSA-N 1 2 238.209 1.338 20 0 BDADLO CC(C)c1nc(N[C@@H](CO)C2CCCC2)cc[nH+]1 ZINC000357778892 386842412 /nfs/dbraw/zinc/84/24/12/386842412.db2.gz DWBKVKKFUNTOQR-LBPRGKRZSA-N 1 2 249.358 1.985 20 0 BDADLO CC[C@@H](CSC)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341126780 386843402 /nfs/dbraw/zinc/84/34/02/386843402.db2.gz LUGBUXPJHAXTIX-ZETCQYMHSA-N 1 2 230.337 1.084 20 0 BDADLO CC[C@@H](CSC)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000341126780 386843407 /nfs/dbraw/zinc/84/34/07/386843407.db2.gz LUGBUXPJHAXTIX-ZETCQYMHSA-N 1 2 230.337 1.084 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC[C@H](F)C1 ZINC000331372947 386844688 /nfs/dbraw/zinc/84/46/88/386844688.db2.gz JMYJOHHZHIXCGI-YUMQZZPRSA-N 1 2 235.266 1.666 20 0 BDADLO CCOC[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000301499035 386848643 /nfs/dbraw/zinc/84/86/43/386848643.db2.gz WAKZHOCUUQXJOV-LLVKDONJSA-N 1 2 221.304 1.648 20 0 BDADLO CCCCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000352880832 386849931 /nfs/dbraw/zinc/84/99/31/386849931.db2.gz IKGPIGZKTGURMX-NSHDSACASA-N 1 2 248.392 1.142 20 0 BDADLO CCCCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000352880832 386849936 /nfs/dbraw/zinc/84/99/36/386849936.db2.gz IKGPIGZKTGURMX-NSHDSACASA-N 1 2 248.392 1.142 20 0 BDADLO C[C@@H](O)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000293672018 386857933 /nfs/dbraw/zinc/85/79/33/386857933.db2.gz UXVQOFDCQWJSEX-SNVBAGLBSA-N 1 2 246.314 1.158 20 0 BDADLO COc1c(O)cccc1C[N@H+](C)CCF ZINC000293684117 386860433 /nfs/dbraw/zinc/86/04/33/386860433.db2.gz QABDHODUNJUTQR-UHFFFAOYSA-N 1 2 213.252 1.802 20 0 BDADLO COc1c(O)cccc1C[N@@H+](C)CCF ZINC000293684117 386860440 /nfs/dbraw/zinc/86/04/40/386860440.db2.gz QABDHODUNJUTQR-UHFFFAOYSA-N 1 2 213.252 1.802 20 0 BDADLO Cn1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000334829130 386865765 /nfs/dbraw/zinc/86/57/65/386865765.db2.gz OTYDISWRXXURQW-LLVKDONJSA-N 1 2 244.298 1.726 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)CC2)o1 ZINC000331557438 386869400 /nfs/dbraw/zinc/86/94/00/386869400.db2.gz CEDVRUGHLONIRZ-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)CC2)o1 ZINC000331557438 386869404 /nfs/dbraw/zinc/86/94/04/386869404.db2.gz CEDVRUGHLONIRZ-JTQLQIEISA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331637579 386876013 /nfs/dbraw/zinc/87/60/13/386876013.db2.gz MHFORUYMLAAGLJ-VIFPVBQESA-N 1 2 224.308 1.522 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000331637579 386876017 /nfs/dbraw/zinc/87/60/17/386876017.db2.gz MHFORUYMLAAGLJ-VIFPVBQESA-N 1 2 224.308 1.522 20 0 BDADLO CCN(CCO)c1nc(N)c2ccccc2[nH+]1 ZINC000301800331 386879653 /nfs/dbraw/zinc/87/96/53/386879653.db2.gz VOIPVZORFRWJSF-UHFFFAOYSA-N 1 2 232.287 1.031 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CCO[C@H](C)C2 ZINC000334837864 386880088 /nfs/dbraw/zinc/88/00/88/386880088.db2.gz XLXATHFJALIAPN-SKDRFNHKSA-N 1 2 226.320 1.112 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000418110069 386880582 /nfs/dbraw/zinc/88/05/82/386880582.db2.gz DJNVYABOUDINHE-UWVGGRQHSA-N 1 2 229.320 1.484 20 0 BDADLO CO[C@]1(C)C[C@@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331744513 386890625 /nfs/dbraw/zinc/89/06/25/386890625.db2.gz BZPAXVSWIDBXNK-BXKDBHETSA-N 1 2 239.319 1.671 20 0 BDADLO COc1ncncc1C[N@@H+]1CCCOC[C@H]1C ZINC000648009378 386899128 /nfs/dbraw/zinc/89/91/28/386899128.db2.gz FCBPOZLKAMZTDA-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO COc1ncncc1C[N@H+]1CCCOC[C@H]1C ZINC000648009378 386899130 /nfs/dbraw/zinc/89/91/30/386899130.db2.gz FCBPOZLKAMZTDA-SNVBAGLBSA-N 1 2 237.303 1.096 20 0 BDADLO CSCc1cnc(C[N@H+](C)C[C@H](C)O)s1 ZINC000293916725 386904433 /nfs/dbraw/zinc/90/44/33/386904433.db2.gz MHHZOHOTCLMIRP-QMMMGPOBSA-N 1 2 246.401 1.819 20 0 BDADLO CSCc1cnc(C[N@@H+](C)C[C@H](C)O)s1 ZINC000293916725 386904437 /nfs/dbraw/zinc/90/44/37/386904437.db2.gz MHHZOHOTCLMIRP-QMMMGPOBSA-N 1 2 246.401 1.819 20 0 BDADLO COC(=O)c1ccoc1C[N@H+](C)C1CC(O)C1 ZINC000331787320 386904789 /nfs/dbraw/zinc/90/47/89/386904789.db2.gz PAUCIIGMTWTDME-UHFFFAOYSA-N 1 2 239.271 1.021 20 0 BDADLO COC(=O)c1ccoc1C[N@@H+](C)C1CC(O)C1 ZINC000331787320 386904792 /nfs/dbraw/zinc/90/47/92/386904792.db2.gz PAUCIIGMTWTDME-UHFFFAOYSA-N 1 2 239.271 1.021 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccncc2)n(C)n1 ZINC000418012613 386905138 /nfs/dbraw/zinc/90/51/38/386905138.db2.gz VYVVPSZOAFRLEC-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccncc2)n(C)n1 ZINC000418012613 386905142 /nfs/dbraw/zinc/90/51/42/386905142.db2.gz VYVVPSZOAFRLEC-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@@]1(C(=O)NCCNc2cccc[nH+]2)CCOC1 ZINC000330883297 386908163 /nfs/dbraw/zinc/90/81/63/386908163.db2.gz JNEMALYMHGJJLD-CYBMUJFWSA-N 1 2 249.314 1.036 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1cscn1 ZINC000334857548 386908955 /nfs/dbraw/zinc/90/89/55/386908955.db2.gz WAYJLAPXSXGBAR-UHFFFAOYSA-N 1 2 248.311 1.928 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2C[C@@]2(C)C(C)C)n1 ZINC000331818698 386911825 /nfs/dbraw/zinc/91/18/25/386911825.db2.gz YWKAGJHHHZFXDN-KWQFWETISA-N 1 2 209.293 1.939 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334861047 386912928 /nfs/dbraw/zinc/91/29/28/386912928.db2.gz ARZNADISROHVFT-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334861047 386912930 /nfs/dbraw/zinc/91/29/30/386912930.db2.gz ARZNADISROHVFT-CYBMUJFWSA-N 1 2 235.331 1.719 20 0 BDADLO COC(=O)C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000341639492 386946899 /nfs/dbraw/zinc/94/68/99/386946899.db2.gz FCOVCCZWEMWSJE-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000341639492 386946904 /nfs/dbraw/zinc/94/69/04/386946904.db2.gz FCOVCCZWEMWSJE-UHFFFAOYSA-N 1 2 229.320 1.437 20 0 BDADLO Nc1nc(N[C@@H]2CCC[C@H]2O)[nH+]c2ccccc12 ZINC000302665300 386930188 /nfs/dbraw/zinc/93/01/88/386930188.db2.gz MLFOQROIRNUINP-GHMZBOCLSA-N 1 2 244.298 1.537 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000336762609 386930612 /nfs/dbraw/zinc/93/06/12/386930612.db2.gz NZTORQZRKANQJZ-IVZWLZJFSA-N 1 2 231.361 1.668 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334870979 386931070 /nfs/dbraw/zinc/93/10/70/386931070.db2.gz VXBIMFAHJURHJN-OCCSQVGLSA-N 1 2 248.374 1.682 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](F)C2)C1 ZINC000334818588 386947872 /nfs/dbraw/zinc/94/78/72/386947872.db2.gz NCVXHHANEQAOTO-MNOVXSKESA-N 1 2 228.311 1.289 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](F)C2)C1 ZINC000334818588 386947878 /nfs/dbraw/zinc/94/78/78/386947878.db2.gz NCVXHHANEQAOTO-MNOVXSKESA-N 1 2 228.311 1.289 20 0 BDADLO CC(C)(C(=O)NCC(F)(F)F)c1c[nH]c[nH+]1 ZINC000330978099 386938008 /nfs/dbraw/zinc/93/80/08/386938008.db2.gz ULVOATAIVSYTCZ-UHFFFAOYSA-N 1 2 235.209 1.366 20 0 BDADLO CC[C@@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302828716 386938298 /nfs/dbraw/zinc/93/82/98/386938298.db2.gz JAFNGZIRUPFBKQ-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302828716 386938303 /nfs/dbraw/zinc/93/83/03/386938303.db2.gz JAFNGZIRUPFBKQ-JTQLQIEISA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330979712 386938661 /nfs/dbraw/zinc/93/86/61/386938661.db2.gz WYNDXQBYPAJJBT-MRVPVSSYSA-N 1 2 209.293 1.602 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)N(C)c1cccc[nH+]1 ZINC000302867146 386941121 /nfs/dbraw/zinc/94/11/21/386941121.db2.gz WBIFVZULXWQTHF-JTQLQIEISA-N 1 2 235.331 1.821 20 0 BDADLO CCCN1CC(=O)N[C@@H]1c1cccc2[nH+]ccn21 ZINC000334824241 386954458 /nfs/dbraw/zinc/95/44/58/386954458.db2.gz FOSRADCQKZXTDV-ZDUSSCGKSA-N 1 2 244.298 1.175 20 0 BDADLO Cc1noc(OCc2ccc(C)[nH+]c2C)n1 ZINC000331088087 386958230 /nfs/dbraw/zinc/95/82/30/386958230.db2.gz RJFAOPLRLFTZBA-UHFFFAOYSA-N 1 2 219.244 1.969 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12CCC(C)(C)C2 ZINC000334826216 386958228 /nfs/dbraw/zinc/95/82/28/386958228.db2.gz OCHDUHKHCQYNTD-GFCCVEGCSA-N 1 2 210.321 1.735 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12CCC(C)(C)C2 ZINC000334826216 386958232 /nfs/dbraw/zinc/95/82/32/386958232.db2.gz OCHDUHKHCQYNTD-GFCCVEGCSA-N 1 2 210.321 1.735 20 0 BDADLO CC(C)[NH2+]CC(F)(F)Br ZINC000307634118 386960979 /nfs/dbraw/zinc/96/09/79/386960979.db2.gz SECLHGZWXVTDCR-UHFFFAOYSA-N 1 2 202.042 1.972 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2CCCO)no1 ZINC000052762783 386961607 /nfs/dbraw/zinc/96/16/07/386961607.db2.gz QBOSSGRZTFRQBS-SNVBAGLBSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2CCCO)no1 ZINC000052762783 386961610 /nfs/dbraw/zinc/96/16/10/386961610.db2.gz QBOSSGRZTFRQBS-SNVBAGLBSA-N 1 2 225.292 1.115 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000332120853 386962125 /nfs/dbraw/zinc/96/21/25/386962125.db2.gz HMOIPFMJUHOABP-KOLCDFICSA-N 1 2 242.319 1.038 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000332120853 386962131 /nfs/dbraw/zinc/96/21/31/386962131.db2.gz HMOIPFMJUHOABP-KOLCDFICSA-N 1 2 242.319 1.038 20 0 BDADLO CCn1cncc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000334931679 387007500 /nfs/dbraw/zinc/00/75/00/387007500.db2.gz PFYIHZMRCZYFJX-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1cncc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000334931679 387007504 /nfs/dbraw/zinc/00/75/04/387007504.db2.gz PFYIHZMRCZYFJX-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCn1c[nH+]cc1CN1CC(C)(C)OC[C@@H]1C ZINC000334931679 387007508 /nfs/dbraw/zinc/00/75/08/387007508.db2.gz PFYIHZMRCZYFJX-NSHDSACASA-N 1 2 237.347 1.902 20 0 BDADLO CCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000368425990 386972237 /nfs/dbraw/zinc/97/22/37/386972237.db2.gz UEJMJTGXXKJKFX-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000368425990 386972243 /nfs/dbraw/zinc/97/22/43/386972243.db2.gz UEJMJTGXXKJKFX-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO Cc1nc(C[N@@H+](C)C2(CO)CC2)c(C)s1 ZINC000353021811 386977966 /nfs/dbraw/zinc/97/79/66/386977966.db2.gz CZGXVJMYAQBXNE-UHFFFAOYSA-N 1 2 226.345 1.717 20 0 BDADLO Cc1nc(C[N@H+](C)C2(CO)CC2)c(C)s1 ZINC000353021811 386977972 /nfs/dbraw/zinc/97/79/72/386977972.db2.gz CZGXVJMYAQBXNE-UHFFFAOYSA-N 1 2 226.345 1.717 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CO[C@@H](C)C2)cc[nH+]1 ZINC000334904035 386978551 /nfs/dbraw/zinc/97/85/51/386978551.db2.gz XTFJIJQETWDGNU-UWVGGRQHSA-N 1 2 220.272 1.175 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000358593260 386984066 /nfs/dbraw/zinc/98/40/66/386984066.db2.gz OZHFGCFVRVUYAS-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000358593260 386984073 /nfs/dbraw/zinc/98/40/73/386984073.db2.gz OZHFGCFVRVUYAS-UHFFFAOYSA-N 1 2 243.266 1.542 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH+]c[nH]2)[nH]n1 ZINC000358593168 386985347 /nfs/dbraw/zinc/98/53/47/386985347.db2.gz OPMWLISFMKVCSM-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO CC(C)c1cc(C(=O)NCc2c[nH]c[nH+]2)[nH]n1 ZINC000358593168 386985352 /nfs/dbraw/zinc/98/53/52/386985352.db2.gz OPMWLISFMKVCSM-UHFFFAOYSA-N 1 2 233.275 1.186 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353010577 386988538 /nfs/dbraw/zinc/98/85/38/386988538.db2.gz VUSYDJNNTLDYQR-YUMQZZPRSA-N 1 2 237.246 1.109 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353010577 386988543 /nfs/dbraw/zinc/98/85/43/386988543.db2.gz VUSYDJNNTLDYQR-YUMQZZPRSA-N 1 2 237.246 1.109 20 0 BDADLO Cn1c[nH+]cc1COc1cccc(F)c1C(N)=O ZINC000353019051 386988571 /nfs/dbraw/zinc/98/85/71/386988571.db2.gz ZUCAREJVCGHHRD-UHFFFAOYSA-N 1 2 249.245 1.237 20 0 BDADLO CC(C)n1ncnc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000331254597 386997764 /nfs/dbraw/zinc/99/77/64/386997764.db2.gz XHAPNMRWKYYCDF-LLVKDONJSA-N 1 2 240.351 1.450 20 0 BDADLO CC(C)n1ncnc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000331254597 386997768 /nfs/dbraw/zinc/99/77/68/386997768.db2.gz XHAPNMRWKYYCDF-LLVKDONJSA-N 1 2 240.351 1.450 20 0 BDADLO FC(F)(F)Cn1cc[nH+]c1Cn1ccnn1 ZINC000358684395 386997927 /nfs/dbraw/zinc/99/79/27/386997927.db2.gz DTOCLHZHBIWOGC-UHFFFAOYSA-N 1 2 231.181 1.085 20 0 BDADLO CCO[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000332719386 387003308 /nfs/dbraw/zinc/00/33/08/387003308.db2.gz QTNZCTFUONPZAR-QMMMGPOBSA-N 1 2 236.275 1.491 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)C[C@H]2C)o1 ZINC000332729498 387006523 /nfs/dbraw/zinc/00/65/23/387006523.db2.gz TZEJUKZNOPHLMN-RKDXNWHRSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)C[C@H]2C)o1 ZINC000332729498 387006524 /nfs/dbraw/zinc/00/65/24/387006524.db2.gz TZEJUKZNOPHLMN-RKDXNWHRSA-N 1 2 225.292 1.148 20 0 BDADLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](F)C1 ZINC000334820466 386948875 /nfs/dbraw/zinc/94/88/75/386948875.db2.gz XNKCURUIVPHYMA-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](F)C1 ZINC000334820466 386948880 /nfs/dbraw/zinc/94/88/80/386948880.db2.gz XNKCURUIVPHYMA-RYUDHWBXSA-N 1 2 242.338 1.821 20 0 BDADLO Cc1nocc1C[N@@H+]1CCc2cncnc2C1 ZINC000332052097 386949448 /nfs/dbraw/zinc/94/94/48/386949448.db2.gz ZTSDJLBCBDWVEH-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1nocc1C[N@H+]1CCc2cncnc2C1 ZINC000332052097 386949454 /nfs/dbraw/zinc/94/94/54/386949454.db2.gz ZTSDJLBCBDWVEH-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@H](C)O)n1C1CC1 ZINC000304311042 387031140 /nfs/dbraw/zinc/03/11/40/387031140.db2.gz LYDYZYGDCHXTCL-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@H](C)O)n1C1CC1 ZINC000304311042 387031146 /nfs/dbraw/zinc/03/11/46/387031146.db2.gz LYDYZYGDCHXTCL-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO CCn1cncc1C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000418027107 387034842 /nfs/dbraw/zinc/03/48/42/387034842.db2.gz PCAZZIQVZKNXST-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cncc1C[N@H+]1CCO[C@](C)(CC)C1 ZINC000418027107 387034845 /nfs/dbraw/zinc/03/48/45/387034845.db2.gz PCAZZIQVZKNXST-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO Cn1nnc(CSc2[nH+]cc3ccccn32)n1 ZINC000193070995 387045411 /nfs/dbraw/zinc/04/54/11/387045411.db2.gz VHUHXYRGLUJJQO-UHFFFAOYSA-N 1 2 246.299 1.150 20 0 BDADLO Cc1cc(CNS(=O)(=O)C2CC2)cc(C)[nH+]1 ZINC000334967544 387050643 /nfs/dbraw/zinc/05/06/43/387050643.db2.gz FVRYFTPWILXXQF-UHFFFAOYSA-N 1 2 240.328 1.280 20 0 BDADLO CCN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000334968559 387053217 /nfs/dbraw/zinc/05/32/17/387053217.db2.gz IJMCZQWTDWCBBM-UHFFFAOYSA-N 1 2 221.304 1.860 20 0 BDADLO CCOc1cccc(C[NH+]2CC(C)(OC)C2)n1 ZINC000459559347 387055732 /nfs/dbraw/zinc/05/57/32/387055732.db2.gz BGUZTDJDMXNAHO-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO O=C(CNc1cc[nH+]c(C2CC2)n1)N1CCCC1 ZINC000110126385 387060225 /nfs/dbraw/zinc/06/02/25/387060225.db2.gz FXCJIXCBOFIISC-UHFFFAOYSA-N 1 2 246.314 1.388 20 0 BDADLO Cc1nnc([C@@H]2C[N@H+](CC(C)(C)C)CCO2)o1 ZINC000369691476 387061320 /nfs/dbraw/zinc/06/13/20/387061320.db2.gz IQWVDAGGMOUOCR-JTQLQIEISA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nnc([C@@H]2C[N@@H+](CC(C)(C)C)CCO2)o1 ZINC000369691476 387061324 /nfs/dbraw/zinc/06/13/24/387061324.db2.gz IQWVDAGGMOUOCR-JTQLQIEISA-N 1 2 239.319 1.797 20 0 BDADLO Cc1nc(N(C)CC2CC2)nc(N(C)C)[nH+]1 ZINC000359166717 387062697 /nfs/dbraw/zinc/06/26/97/387062697.db2.gz LDOLVIWCQJTBCL-UHFFFAOYSA-N 1 2 221.308 1.092 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)CC2CC2)[nH+]1 ZINC000359166717 387062701 /nfs/dbraw/zinc/06/27/01/387062701.db2.gz LDOLVIWCQJTBCL-UHFFFAOYSA-N 1 2 221.308 1.092 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC1 ZINC000368810501 387012436 /nfs/dbraw/zinc/01/24/36/387012436.db2.gz SNTWOTWNUYVPJF-SNVBAGLBSA-N 1 2 219.288 1.068 20 0 BDADLO C[NH2+]Cc1noc([C@@]2(C)CCC[C@H]2C)n1 ZINC000334881802 387026014 /nfs/dbraw/zinc/02/60/14/387026014.db2.gz LTDXSIWBXMYECD-KCJUWKMLSA-N 1 2 209.293 1.867 20 0 BDADLO Cc1c(Cl)c(C[NH+]2CCCC2)nn1C ZINC000334984792 387071485 /nfs/dbraw/zinc/07/14/85/387071485.db2.gz HHQJYGLNWXZILD-UHFFFAOYSA-N 1 2 213.712 1.978 20 0 BDADLO CC(C)n1nccc1CNc1cccc(CO)[nH+]1 ZINC000359279307 387079841 /nfs/dbraw/zinc/07/98/41/387079841.db2.gz GMVPFODYKRNASS-UHFFFAOYSA-N 1 2 246.314 1.963 20 0 BDADLO CC[C@@H](C)C[NH+]1CC(S(=O)(=O)CC)C1 ZINC000418072201 387085043 /nfs/dbraw/zinc/08/50/43/387085043.db2.gz KJERZQVNZLNCDW-SECBINFHSA-N 1 2 219.350 1.151 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000228299354 387087477 /nfs/dbraw/zinc/08/74/77/387087477.db2.gz BNBBACSWFHRLSZ-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000228299354 387087482 /nfs/dbraw/zinc/08/74/82/387087482.db2.gz BNBBACSWFHRLSZ-PSASIEDQSA-N 1 2 242.344 1.033 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1nccs1 ZINC000070733151 387090739 /nfs/dbraw/zinc/09/07/39/387090739.db2.gz JFQJPJQBKAWLDH-MRVPVSSYSA-N 1 2 241.360 1.708 20 0 BDADLO Cn1cnc2c1CC[N@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000370192145 387094052 /nfs/dbraw/zinc/09/40/52/387094052.db2.gz GONPWJLIUXAXOK-LLVKDONJSA-N 1 2 249.358 1.736 20 0 BDADLO Cn1cnc2c1CC[N@@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000370192145 387094057 /nfs/dbraw/zinc/09/40/57/387094057.db2.gz GONPWJLIUXAXOK-LLVKDONJSA-N 1 2 249.358 1.736 20 0 BDADLO Cn1c[nH+]c2c1CCN(C[C@H]1CCC(C)(C)O1)C2 ZINC000370192145 387094060 /nfs/dbraw/zinc/09/40/60/387094060.db2.gz GONPWJLIUXAXOK-LLVKDONJSA-N 1 2 249.358 1.736 20 0 BDADLO CCOC1(C)CN(Cc2c[nH+]cn2CC)C1 ZINC000418088602 387095864 /nfs/dbraw/zinc/09/58/64/387095864.db2.gz KPXYFPZJZJTQES-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000186443775 387096380 /nfs/dbraw/zinc/09/63/80/387096380.db2.gz MCUSDEQCEVZMCB-LLVKDONJSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000186443775 387096384 /nfs/dbraw/zinc/09/63/84/387096384.db2.gz MCUSDEQCEVZMCB-LLVKDONJSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1ccc(N2CC[N@@H+](C3CCC3)CC2=O)o1 ZINC000370209455 387097563 /nfs/dbraw/zinc/09/75/63/387097563.db2.gz HWCGBQPTYVUYCU-UHFFFAOYSA-N 1 2 234.299 1.789 20 0 BDADLO Cc1ccc(N2CC[N@H+](C3CCC3)CC2=O)o1 ZINC000370209455 387097575 /nfs/dbraw/zinc/09/75/75/387097575.db2.gz HWCGBQPTYVUYCU-UHFFFAOYSA-N 1 2 234.299 1.789 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@H]1c1ccco1 ZINC000370237387 387099258 /nfs/dbraw/zinc/09/92/58/387099258.db2.gz VMYKMBFHGWUKPX-LBPRGKRZSA-N 1 2 247.298 1.587 20 0 BDADLO O=C(C1CC1)N1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000335005415 387099266 /nfs/dbraw/zinc/09/92/66/387099266.db2.gz NKJCFJZBQGDZIR-LBPRGKRZSA-N 1 2 220.316 1.607 20 0 BDADLO O=C(C1CC1)N1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000335005415 387099270 /nfs/dbraw/zinc/09/92/70/387099270.db2.gz NKJCFJZBQGDZIR-LBPRGKRZSA-N 1 2 220.316 1.607 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccco1 ZINC000335004576 387099379 /nfs/dbraw/zinc/09/93/79/387099379.db2.gz MVMXUOYPOYWDJF-BMIGLBTASA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccco1 ZINC000335004576 387099381 /nfs/dbraw/zinc/09/93/81/387099381.db2.gz MVMXUOYPOYWDJF-BMIGLBTASA-N 1 2 227.329 1.623 20 0 BDADLO c1nnc(C2CC[NH+](Cc3cscn3)CC2)[nH]1 ZINC000370237616 387101075 /nfs/dbraw/zinc/10/10/75/387101075.db2.gz ZROFLLXENLUCJH-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO CCCn1ncnc1C[N@H+](CCO)C1CCC1 ZINC000228522106 387103235 /nfs/dbraw/zinc/10/32/35/387103235.db2.gz GNXUVQFJORGCDU-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@@H+](CCO)C1CCC1 ZINC000228522106 387103241 /nfs/dbraw/zinc/10/32/41/387103241.db2.gz GNXUVQFJORGCDU-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO c1snnc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000370338304 387108803 /nfs/dbraw/zinc/10/88/03/387108803.db2.gz AKDZHSRGVUEZGV-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO c1snnc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000370338304 387108807 /nfs/dbraw/zinc/10/88/07/387108807.db2.gz AKDZHSRGVUEZGV-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO FC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000336279898 387111359 /nfs/dbraw/zinc/11/13/59/387111359.db2.gz JAHOMZJDXJFSGS-LLVKDONJSA-N 1 2 210.252 1.252 20 0 BDADLO FC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000336279898 387111360 /nfs/dbraw/zinc/11/13/60/387111360.db2.gz JAHOMZJDXJFSGS-LLVKDONJSA-N 1 2 210.252 1.252 20 0 BDADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NC1CC1 ZINC000069069358 387113689 /nfs/dbraw/zinc/11/36/89/387113689.db2.gz XYFXSXCXMMRGKA-VIFPVBQESA-N 1 2 222.288 1.551 20 0 BDADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NC1CC1 ZINC000069069358 387113693 /nfs/dbraw/zinc/11/36/93/387113693.db2.gz XYFXSXCXMMRGKA-VIFPVBQESA-N 1 2 222.288 1.551 20 0 BDADLO COC[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000352364598 387114215 /nfs/dbraw/zinc/11/42/15/387114215.db2.gz GMCMQZIHYKIMCH-JTQLQIEISA-N 1 2 207.277 1.258 20 0 BDADLO Cc1csc(CN2CCc3c([nH+]cn3C)C2)n1 ZINC000370397929 387115043 /nfs/dbraw/zinc/11/50/43/387115043.db2.gz VBFBNYVMXWHQBU-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1nocc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000353091179 387115132 /nfs/dbraw/zinc/11/51/32/387115132.db2.gz CDZVDNDAYAIOQE-INTQDDNPSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nocc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000353091179 387115137 /nfs/dbraw/zinc/11/51/37/387115137.db2.gz CDZVDNDAYAIOQE-INTQDDNPSA-N 1 2 224.304 1.981 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000359529014 387118446 /nfs/dbraw/zinc/11/84/46/387118446.db2.gz IPYWZKJQFGQRDG-NEPJUHHUSA-N 1 2 241.331 1.295 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000359529014 387118449 /nfs/dbraw/zinc/11/84/49/387118449.db2.gz IPYWZKJQFGQRDG-NEPJUHHUSA-N 1 2 241.331 1.295 20 0 BDADLO c1cnc(C[N@@H+]2CCSC[C@H]2C2CC2)nc1 ZINC000336291852 387123929 /nfs/dbraw/zinc/12/39/29/387123929.db2.gz YHKYJENEKQUZLV-NSHDSACASA-N 1 2 235.356 1.804 20 0 BDADLO c1cnc(C[N@H+]2CCSC[C@H]2C2CC2)nc1 ZINC000336291852 387123934 /nfs/dbraw/zinc/12/39/34/387123934.db2.gz YHKYJENEKQUZLV-NSHDSACASA-N 1 2 235.356 1.804 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)NCCn1cc[nH+]c1 ZINC000193416420 387145760 /nfs/dbraw/zinc/14/57/60/387145760.db2.gz OTZIQNSFVMMADS-UHFFFAOYSA-N 1 2 247.302 1.160 20 0 BDADLO CC(C)(O)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000571712731 387147896 /nfs/dbraw/zinc/14/78/96/387147896.db2.gz UQAGULCDLDTZEF-UHFFFAOYSA-N 1 2 245.282 1.786 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000336321037 387150232 /nfs/dbraw/zinc/15/02/32/387150232.db2.gz VKJKOSNPNBQDFX-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC000336321037 387150237 /nfs/dbraw/zinc/15/02/37/387150237.db2.gz VKJKOSNPNBQDFX-CYBMUJFWSA-N 1 2 245.326 1.197 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccoc1 ZINC000120060146 387153010 /nfs/dbraw/zinc/15/30/10/387153010.db2.gz JFLZPLSZNTXWJR-UHFFFAOYSA-N 1 2 233.271 1.214 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1C ZINC000186957992 387155739 /nfs/dbraw/zinc/15/57/39/387155739.db2.gz AAGUMIXIODSNKG-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)nc1C ZINC000186957992 387155742 /nfs/dbraw/zinc/15/57/42/387155742.db2.gz AAGUMIXIODSNKG-CYBMUJFWSA-N 1 2 248.326 1.836 20 0 BDADLO CCC[C@@H]([NH2+]Cc1ccn(C)c1)C(=O)OCC ZINC000359756252 387160431 /nfs/dbraw/zinc/16/04/31/387160431.db2.gz IWHHMIKYJABYSN-GFCCVEGCSA-N 1 2 238.331 1.847 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H](F)C1 ZINC000571804314 387173459 /nfs/dbraw/zinc/17/34/59/387173459.db2.gz CAEAPLKXPBLXKZ-ZJUUUORDSA-N 1 2 225.267 1.280 20 0 BDADLO CC(C)[C@H](Cn1cccn1)[NH2+]CC(F)(F)CN ZINC000423345930 387194201 /nfs/dbraw/zinc/19/42/01/387194201.db2.gz OPRIYCHHZRJSIT-JTQLQIEISA-N 1 2 246.305 1.091 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000229504511 387175606 /nfs/dbraw/zinc/17/56/06/387175606.db2.gz BHTSTTSTUCXUSK-VHSXEESVSA-N 1 2 240.347 1.201 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000229504511 387175613 /nfs/dbraw/zinc/17/56/13/387175613.db2.gz BHTSTTSTUCXUSK-VHSXEESVSA-N 1 2 240.347 1.201 20 0 BDADLO C[C@H](CC(=O)N1[C@H](C)C[C@@H]1C)n1cc[nH+]c1 ZINC000571812218 387175808 /nfs/dbraw/zinc/17/58/08/387175808.db2.gz ZROSDTGCTKWIOW-MXWKQRLJSA-N 1 2 221.304 1.844 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336349030 387178814 /nfs/dbraw/zinc/17/88/14/387178814.db2.gz UNXHFLSPPZBPIO-SNVBAGLBSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336349030 387178819 /nfs/dbraw/zinc/17/88/19/387178819.db2.gz UNXHFLSPPZBPIO-SNVBAGLBSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000336352409 387182253 /nfs/dbraw/zinc/18/22/53/387182253.db2.gz UEAQDRIUOWSFFX-QWRGUYRKSA-N 1 2 221.304 1.173 20 0 BDADLO CO[C@@H]1CCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000336352789 387183613 /nfs/dbraw/zinc/18/36/13/387183613.db2.gz BTLHZQLXXBPSHI-SECBINFHSA-N 1 2 249.289 1.938 20 0 BDADLO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)[C@H]1C ZINC000334094843 387192196 /nfs/dbraw/zinc/19/21/96/387192196.db2.gz QQSGHZTUCKLKGD-VPOLOUISSA-N 1 2 248.330 1.939 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000119556783 387140644 /nfs/dbraw/zinc/14/06/44/387140644.db2.gz OAWLKSZMOAPBCX-GHMZBOCLSA-N 1 2 249.358 1.996 20 0 BDADLO CCn1c[nH+]cc1CN(CC(F)F)C[C@@H](C)O ZINC000418112572 387202375 /nfs/dbraw/zinc/20/23/75/387202375.db2.gz IDCSXVSSYDNNTD-SECBINFHSA-N 1 2 247.289 1.351 20 0 BDADLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000336382263 387214287 /nfs/dbraw/zinc/21/42/87/387214287.db2.gz GSQNWSSGIXABQM-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)cc1 ZINC000353496338 387214574 /nfs/dbraw/zinc/21/45/74/387214574.db2.gz ANTZOMKYCFTLDE-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)cc1 ZINC000353496338 387214578 /nfs/dbraw/zinc/21/45/78/387214578.db2.gz ANTZOMKYCFTLDE-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO CC[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000371487632 387222332 /nfs/dbraw/zinc/22/23/32/387222332.db2.gz HOSRFUVBZHHJDJ-KOLCDFICSA-N 1 2 235.331 1.669 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572057853 387224968 /nfs/dbraw/zinc/22/49/68/387224968.db2.gz PLLLAQKKNIWNEM-UTLUCORTSA-N 1 2 239.319 1.128 20 0 BDADLO CO[C@@H](C)[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572057853 387224974 /nfs/dbraw/zinc/22/49/74/387224974.db2.gz PLLLAQKKNIWNEM-UTLUCORTSA-N 1 2 239.319 1.128 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336415953 387243704 /nfs/dbraw/zinc/24/37/04/387243704.db2.gz UCJKRFWJXVWDJG-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO Cc1ccc(NC(=O)c2cc[nH]c(=O)c2)c(C)[nH+]1 ZINC000230201771 387247693 /nfs/dbraw/zinc/24/76/93/387247693.db2.gz JVCIPLOVAKKQEB-UHFFFAOYSA-N 1 2 243.266 1.639 20 0 BDADLO Cc1c([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)cnn1C ZINC000371378097 387200660 /nfs/dbraw/zinc/20/06/60/387200660.db2.gz HHIPKJHJEONOPL-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1c([C@H]2CCC[N@H+]2Cc2ncc[nH]2)cnn1C ZINC000371378097 387200664 /nfs/dbraw/zinc/20/06/64/387200664.db2.gz HHIPKJHJEONOPL-GFCCVEGCSA-N 1 2 245.330 1.789 20 0 BDADLO c1cc(C[NH2+][C@H]2CCc3ccccc3OC2)[nH]n1 ZINC000336488520 387316604 /nfs/dbraw/zinc/31/66/04/387316604.db2.gz XDDPRPQFMARQCF-ZDUSSCGKSA-N 1 2 243.310 1.893 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@@H](F)C1 ZINC000360358576 387270042 /nfs/dbraw/zinc/27/00/42/387270042.db2.gz GMZPUCCKLLJNBX-ZJUUUORDSA-N 1 2 225.267 1.280 20 0 BDADLO CSc1ccccc1C[N@@H+]1CCNC(=O)C1 ZINC000336441361 387270127 /nfs/dbraw/zinc/27/01/27/387270127.db2.gz FIQDYLJLHLEUCV-UHFFFAOYSA-N 1 2 236.340 1.340 20 0 BDADLO CSc1ccccc1C[N@H+]1CCNC(=O)C1 ZINC000336441361 387270130 /nfs/dbraw/zinc/27/01/30/387270130.db2.gz FIQDYLJLHLEUCV-UHFFFAOYSA-N 1 2 236.340 1.340 20 0 BDADLO CSC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000514733520 387282123 /nfs/dbraw/zinc/28/21/23/387282123.db2.gz KNCCCIGHPOVJBQ-UWVGGRQHSA-N 1 2 241.360 1.702 20 0 BDADLO Cc1cscc1CNC(=O)Cn1cc[nH+]c1 ZINC000360474398 387293025 /nfs/dbraw/zinc/29/30/25/387293025.db2.gz OXDMFQZPJGGWJD-UHFFFAOYSA-N 1 2 235.312 1.569 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000336493022 387318457 /nfs/dbraw/zinc/31/84/57/387318457.db2.gz GBMDDNJJEBEVHE-ZJUUUORDSA-N 1 2 228.267 1.196 20 0 BDADLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000336493022 387318458 /nfs/dbraw/zinc/31/84/58/387318458.db2.gz GBMDDNJJEBEVHE-ZJUUUORDSA-N 1 2 228.267 1.196 20 0 BDADLO CN(CC(C)(C)O)c1cccc(-n2cc[nH+]c2)n1 ZINC000372361956 387296570 /nfs/dbraw/zinc/29/65/70/387296570.db2.gz UATSNKXUHAPROC-UHFFFAOYSA-N 1 2 246.314 1.474 20 0 BDADLO c1ccc2[nH+]c(N3C[C@H]4CC[C@@H](C3)O4)[nH]c2c1 ZINC000372372536 387296898 /nfs/dbraw/zinc/29/68/98/387296898.db2.gz HXZCRDFWSZJPHJ-AOOOYVTPSA-N 1 2 229.283 1.931 20 0 BDADLO CC(C)(NC(=O)CCc1ccco1)c1[nH]cc[nH+]1 ZINC000514867217 387303723 /nfs/dbraw/zinc/30/37/23/387303723.db2.gz RLKMZQCJHJRFJH-UHFFFAOYSA-N 1 2 247.298 1.987 20 0 BDADLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000514867947 387303921 /nfs/dbraw/zinc/30/39/21/387303921.db2.gz ZEFFUHRQJQMXFY-LLVKDONJSA-N 1 2 238.310 1.477 20 0 BDADLO CN(C)c1ncc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000514867947 387303926 /nfs/dbraw/zinc/30/39/26/387303926.db2.gz ZEFFUHRQJQMXFY-LLVKDONJSA-N 1 2 238.310 1.477 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC(C1CC1)C1CC1 ZINC000515321691 387359741 /nfs/dbraw/zinc/35/97/41/387359741.db2.gz RDFXIENPFXQNHH-UHFFFAOYSA-N 1 2 247.342 1.895 20 0 BDADLO C[C@@H]1OCC[C@@]12C[N@H+](C/C=C/Cl)CCO2 ZINC000373403045 387365004 /nfs/dbraw/zinc/36/50/04/387365004.db2.gz MGOCIUZKGSWAQY-OVXAFGJRSA-N 1 2 231.723 1.619 20 0 BDADLO C[C@@H]1OCC[C@@]12C[N@@H+](C/C=C/Cl)CCO2 ZINC000373403045 387365009 /nfs/dbraw/zinc/36/50/09/387365009.db2.gz MGOCIUZKGSWAQY-OVXAFGJRSA-N 1 2 231.723 1.619 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1=CCOCC1 ZINC000354360806 387366758 /nfs/dbraw/zinc/36/67/58/387366758.db2.gz DFVOXYPACRIXKJ-UHFFFAOYSA-N 1 2 249.314 1.078 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1cnoc1C)CC2 ZINC000373424246 387367125 /nfs/dbraw/zinc/36/71/25/387367125.db2.gz YFSLACAHRFVHBY-UHFFFAOYSA-N 1 2 232.287 1.504 20 0 BDADLO C[C@@H](CF)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000287129077 387377492 /nfs/dbraw/zinc/37/74/92/387377492.db2.gz GPWXXFPWCFFMSB-WCBMZHEXSA-N 1 2 210.252 1.161 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121545144 387378013 /nfs/dbraw/zinc/37/80/13/387378013.db2.gz SNDUTXLSCSIHMX-PWSUYJOCSA-N 1 2 225.288 1.688 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121545144 387378016 /nfs/dbraw/zinc/37/80/16/387378016.db2.gz SNDUTXLSCSIHMX-PWSUYJOCSA-N 1 2 225.288 1.688 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000515419935 387379544 /nfs/dbraw/zinc/37/95/44/387379544.db2.gz VGNXPWCPNIYIAN-NXEZZACHSA-N 1 2 207.277 1.140 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH+]c[nH]2)ccn1 ZINC000354471516 387380526 /nfs/dbraw/zinc/38/05/26/387380526.db2.gz ZSCXSPGYOWHVMG-UHFFFAOYSA-N 1 2 244.298 1.687 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH]c[nH+]2)ccn1 ZINC000354471516 387380529 /nfs/dbraw/zinc/38/05/29/387380529.db2.gz ZSCXSPGYOWHVMG-UHFFFAOYSA-N 1 2 244.298 1.687 20 0 BDADLO COC[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000287192860 387382132 /nfs/dbraw/zinc/38/21/32/387382132.db2.gz VWJZSQVDJZNERP-ZDUSSCGKSA-N 1 2 246.314 1.292 20 0 BDADLO CO[C@H](C)CN(C)c1nc[nH+]c(N)c1Cl ZINC000286210470 387320814 /nfs/dbraw/zinc/32/08/14/387320814.db2.gz BHJGRCZRNDKOQK-ZCFIWIBFSA-N 1 2 230.699 1.183 20 0 BDADLO CO[C@H](C)CN(C)c1[nH+]cnc(N)c1Cl ZINC000286210470 387320821 /nfs/dbraw/zinc/32/08/21/387320821.db2.gz BHJGRCZRNDKOQK-ZCFIWIBFSA-N 1 2 230.699 1.183 20 0 BDADLO c1cn(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c[nH+]1 ZINC000336495830 387321192 /nfs/dbraw/zinc/32/11/92/387321192.db2.gz DDRCJMGVYWGWBO-CYBMUJFWSA-N 1 2 248.374 1.520 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)[nH]1 ZINC000354058882 387321261 /nfs/dbraw/zinc/32/12/61/387321261.db2.gz LYJLOZTYZRBYQQ-SNVBAGLBSA-N 1 2 238.287 1.022 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccc(C(=O)OC)[nH]1 ZINC000354058882 387321267 /nfs/dbraw/zinc/32/12/67/387321267.db2.gz LYJLOZTYZRBYQQ-SNVBAGLBSA-N 1 2 238.287 1.022 20 0 BDADLO CCc1nc(C)c(C[NH2+]Cc2cocn2)o1 ZINC000390442091 387326773 /nfs/dbraw/zinc/32/67/73/387326773.db2.gz VVFUDHKYCNXKKC-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO CSCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610091460 387330319 /nfs/dbraw/zinc/33/03/19/387330319.db2.gz ZGCIGOLCPFGQEI-SSDOTTSWSA-N 1 2 229.267 1.613 20 0 BDADLO CSCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610091460 387330326 /nfs/dbraw/zinc/33/03/26/387330326.db2.gz ZGCIGOLCPFGQEI-SSDOTTSWSA-N 1 2 229.267 1.613 20 0 BDADLO C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000424758750 387336250 /nfs/dbraw/zinc/33/62/50/387336250.db2.gz VNEHXDCFQOXQKV-ZJUUUORDSA-N 1 2 234.299 1.974 20 0 BDADLO CCONC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372931386 387336798 /nfs/dbraw/zinc/33/67/98/387336798.db2.gz XXHXZFLYAHCSJY-VIFPVBQESA-N 1 2 238.291 1.250 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CC12CCOCC2 ZINC000514678828 387344766 /nfs/dbraw/zinc/34/47/66/387344766.db2.gz GOMSLOLYLIJVJV-GFCCVEGCSA-N 1 2 247.342 1.744 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c(C)n1 ZINC000336527748 387351413 /nfs/dbraw/zinc/35/14/13/387351413.db2.gz XJAXJHAPDZHEFC-NSHDSACASA-N 1 2 247.342 1.361 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c(C)n1 ZINC000336527748 387351418 /nfs/dbraw/zinc/35/14/18/387351418.db2.gz XJAXJHAPDZHEFC-NSHDSACASA-N 1 2 247.342 1.361 20 0 BDADLO CC[C@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000374130490 387423957 /nfs/dbraw/zinc/42/39/57/387423957.db2.gz QSRDLFPQNBFXTR-QWRGUYRKSA-N 1 2 239.319 1.676 20 0 BDADLO CC[C@H](O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000374130490 387423965 /nfs/dbraw/zinc/42/39/65/387423965.db2.gz QSRDLFPQNBFXTR-QWRGUYRKSA-N 1 2 239.319 1.676 20 0 BDADLO c1ncc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cn1 ZINC000354739435 387425279 /nfs/dbraw/zinc/42/52/79/387425279.db2.gz YLKZVFDRJYMMGU-AWEZNQCLSA-N 1 2 247.342 1.868 20 0 BDADLO c1ncc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cn1 ZINC000354739435 387425282 /nfs/dbraw/zinc/42/52/82/387425282.db2.gz YLKZVFDRJYMMGU-AWEZNQCLSA-N 1 2 247.342 1.868 20 0 BDADLO c1snnc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000374120408 387425326 /nfs/dbraw/zinc/42/53/26/387425326.db2.gz NKGHVUUJEZTPAR-GHMZBOCLSA-N 1 2 239.344 1.682 20 0 BDADLO c1snnc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000374120408 387425332 /nfs/dbraw/zinc/42/53/32/387425332.db2.gz NKGHVUUJEZTPAR-GHMZBOCLSA-N 1 2 239.344 1.682 20 0 BDADLO CSCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000354818511 387434035 /nfs/dbraw/zinc/43/40/35/387434035.db2.gz CAFMGJNKCOZWTQ-UHFFFAOYSA-N 1 2 227.333 1.164 20 0 BDADLO CSCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000354818511 387434041 /nfs/dbraw/zinc/43/40/41/387434041.db2.gz CAFMGJNKCOZWTQ-UHFFFAOYSA-N 1 2 227.333 1.164 20 0 BDADLO C[C@H]1C[N@H+](CCOC[C@H]2CCCO2)CCC1=O ZINC000515874759 387434806 /nfs/dbraw/zinc/43/48/06/387434806.db2.gz NOPHUUFEVSIWHK-NWDGAFQWSA-N 1 2 241.331 1.093 20 0 BDADLO C[C@H]1C[N@@H+](CCOC[C@H]2CCCO2)CCC1=O ZINC000515874759 387434813 /nfs/dbraw/zinc/43/48/13/387434813.db2.gz NOPHUUFEVSIWHK-NWDGAFQWSA-N 1 2 241.331 1.093 20 0 BDADLO C[N@H+](CC(N)=O)Cc1cncc(C(F)(F)F)c1 ZINC000361300150 387434897 /nfs/dbraw/zinc/43/48/97/387434897.db2.gz PXTDFCVRHALMIH-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO C[N@@H+](CC(N)=O)Cc1cncc(C(F)(F)F)c1 ZINC000361300150 387434900 /nfs/dbraw/zinc/43/49/00/387434900.db2.gz PXTDFCVRHALMIH-UHFFFAOYSA-N 1 2 247.220 1.018 20 0 BDADLO C[C@H](CCC1CC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423867022 387438852 /nfs/dbraw/zinc/43/88/52/387438852.db2.gz FZVQLKKDJZWLOT-PSASIEDQSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@@H](CCC1CC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423867025 387438935 /nfs/dbraw/zinc/43/89/35/387438935.db2.gz FZVQLKKDJZWLOT-WPRPVWTQSA-N 1 2 246.301 1.679 20 0 BDADLO C[C@H](CCC1CC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423867023 387440589 /nfs/dbraw/zinc/44/05/89/387440589.db2.gz FZVQLKKDJZWLOT-SCZZXKLOSA-N 1 2 246.301 1.679 20 0 BDADLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nccs1 ZINC000515919203 387443002 /nfs/dbraw/zinc/44/30/02/387443002.db2.gz DCBUHXLWNSHKSS-SNVBAGLBSA-N 1 2 244.360 1.361 20 0 BDADLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nccs1 ZINC000515919203 387443006 /nfs/dbraw/zinc/44/30/06/387443006.db2.gz DCBUHXLWNSHKSS-SNVBAGLBSA-N 1 2 244.360 1.361 20 0 BDADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cnnn1C ZINC000336613705 387454967 /nfs/dbraw/zinc/45/49/67/387454967.db2.gz SHFHYLWZALXTCZ-SNVBAGLBSA-N 1 2 228.299 1.892 20 0 BDADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cnnn1C ZINC000336613705 387454970 /nfs/dbraw/zinc/45/49/70/387454970.db2.gz SHFHYLWZALXTCZ-SNVBAGLBSA-N 1 2 228.299 1.892 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)[C@H]1CO ZINC000248891919 387456941 /nfs/dbraw/zinc/45/69/41/387456941.db2.gz FXUNVUSAVQZMSP-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)[C@H]1CO ZINC000248891919 387456947 /nfs/dbraw/zinc/45/69/47/387456947.db2.gz FXUNVUSAVQZMSP-SCZZXKLOSA-N 1 2 237.303 1.150 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336568747 387393105 /nfs/dbraw/zinc/39/31/05/387393105.db2.gz BMCRWWVXDBWJPP-ZJUUUORDSA-N 1 2 236.319 1.296 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000423692335 387398843 /nfs/dbraw/zinc/39/88/43/387398843.db2.gz FYZUDMGRXRGHSC-VHSXEESVSA-N 1 2 248.317 1.784 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCCC1 ZINC000373859034 387398948 /nfs/dbraw/zinc/39/89/48/387398948.db2.gz KMXGXFNLJBXZBV-NSHDSACASA-N 1 2 233.315 1.458 20 0 BDADLO CCN(CCC1CC1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000354603312 387401689 /nfs/dbraw/zinc/40/16/89/387401689.db2.gz XRTIBEBWAVZHND-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO CCN(CCC1CC1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000354603312 387401693 /nfs/dbraw/zinc/40/16/93/387401693.db2.gz XRTIBEBWAVZHND-UHFFFAOYSA-N 1 2 249.362 1.872 20 0 BDADLO COCCn1cc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000352647464 387404746 /nfs/dbraw/zinc/40/47/46/387404746.db2.gz AHHPTTZVCSSFKQ-UHFFFAOYSA-N 1 2 249.314 1.755 20 0 BDADLO COCCn1cc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000352647464 387404750 /nfs/dbraw/zinc/40/47/50/387404750.db2.gz AHHPTTZVCSSFKQ-UHFFFAOYSA-N 1 2 249.314 1.755 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000354643515 387409642 /nfs/dbraw/zinc/40/96/42/387409642.db2.gz ZIHZGASRTGDDOM-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ccncc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000354643515 387409646 /nfs/dbraw/zinc/40/96/46/387409646.db2.gz ZIHZGASRTGDDOM-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000361183194 387412570 /nfs/dbraw/zinc/41/25/70/387412570.db2.gz PRQJOJISNDYNLV-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000361183194 387412575 /nfs/dbraw/zinc/41/25/75/387412575.db2.gz PRQJOJISNDYNLV-VIFPVBQESA-N 1 2 247.298 1.556 20 0 BDADLO CCSCC[C@@H](C)[N@H+](C)Cc1nnn(C)n1 ZINC000193469402 387412861 /nfs/dbraw/zinc/41/28/61/387412861.db2.gz TXPYICQSRQDVBX-SECBINFHSA-N 1 2 243.380 1.174 20 0 BDADLO CCSCC[C@@H](C)[N@@H+](C)Cc1nnn(C)n1 ZINC000193469402 387412865 /nfs/dbraw/zinc/41/28/65/387412865.db2.gz TXPYICQSRQDVBX-SECBINFHSA-N 1 2 243.380 1.174 20 0 BDADLO CCOC(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000083415528 387415964 /nfs/dbraw/zinc/41/59/64/387415964.db2.gz CQYCWSJTKZRAPA-UHFFFAOYSA-N 1 2 217.334 1.377 20 0 BDADLO CCOC(=O)C[N@H+]1CCSC(C)(C)C1 ZINC000083415528 387415966 /nfs/dbraw/zinc/41/59/66/387415966.db2.gz CQYCWSJTKZRAPA-UHFFFAOYSA-N 1 2 217.334 1.377 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)no1 ZINC000303987287 387421966 /nfs/dbraw/zinc/42/19/66/387421966.db2.gz JEUWFQCDJKSUJP-SCZZXKLOSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)no1 ZINC000303987287 387421967 /nfs/dbraw/zinc/42/19/67/387421967.db2.gz JEUWFQCDJKSUJP-SCZZXKLOSA-N 1 2 225.292 1.113 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000361568223 387493550 /nfs/dbraw/zinc/49/35/50/387493550.db2.gz QVDJZNVEEYHSBZ-HBNTYKKESA-N 1 2 243.347 1.730 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000361580120 387501859 /nfs/dbraw/zinc/50/18/59/387501859.db2.gz ZGZRVTAJDQWTJX-GXSJLCMTSA-N 1 2 247.302 1.583 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000361580120 387501864 /nfs/dbraw/zinc/50/18/64/387501864.db2.gz ZGZRVTAJDQWTJX-GXSJLCMTSA-N 1 2 247.302 1.583 20 0 BDADLO Cn1c[nH+]cc1CNc1cnc2c(c1)COCC2 ZINC000375053112 387509126 /nfs/dbraw/zinc/50/91/26/387509126.db2.gz FJQHNSOIACUZHY-UHFFFAOYSA-N 1 2 244.298 1.500 20 0 BDADLO c1cn(-c2csc(CN=c3cco[nH]3)c2)c[nH+]1 ZINC000361615454 387510936 /nfs/dbraw/zinc/51/09/36/387510936.db2.gz IWSKLGKXQFWPAT-UHFFFAOYSA-N 1 2 246.295 1.956 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396929278 387514247 /nfs/dbraw/zinc/51/42/47/387514247.db2.gz WWGUFQQTHYWPNQ-WDEREUQCSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)on1 ZINC000355301275 387516836 /nfs/dbraw/zinc/51/68/36/387516836.db2.gz TZSIWPUDFBAWES-UHFFFAOYSA-N 1 2 242.238 1.883 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000352820580 387518155 /nfs/dbraw/zinc/51/81/55/387518155.db2.gz BCKXBMXFHCVFKL-GHMZBOCLSA-N 1 2 234.347 1.433 20 0 BDADLO Cc1cn[nH]c1CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000352820580 387518161 /nfs/dbraw/zinc/51/81/61/387518161.db2.gz BCKXBMXFHCVFKL-GHMZBOCLSA-N 1 2 234.347 1.433 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)C1CCC1 ZINC000361696853 387521960 /nfs/dbraw/zinc/52/19/60/387521960.db2.gz SVPXWCYRDCHAAY-LLVKDONJSA-N 1 2 233.315 1.884 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCCCF ZINC000361695985 387522913 /nfs/dbraw/zinc/52/29/13/387522913.db2.gz BUFNOFJJPLTVKA-UHFFFAOYSA-N 1 2 225.267 1.683 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375318818 387527407 /nfs/dbraw/zinc/52/74/07/387527407.db2.gz KKMAXRNZOXIPMA-NEPJUHHUSA-N 1 2 239.315 1.193 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375318818 387527415 /nfs/dbraw/zinc/52/74/15/387527415.db2.gz KKMAXRNZOXIPMA-NEPJUHHUSA-N 1 2 239.315 1.193 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCCC[C@H]1OC)C1CC1 ZINC000361748025 387529819 /nfs/dbraw/zinc/52/98/19/387529819.db2.gz PZUHPBNNJIXYDW-QJPTWQEYSA-N 1 2 241.331 1.485 20 0 BDADLO Cc1cc(NCc2c[nH+]c(C)cc2C)ncn1 ZINC000397026871 387533082 /nfs/dbraw/zinc/53/30/82/387533082.db2.gz VHCRDLPOGHCITL-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO COC[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375387728 387537014 /nfs/dbraw/zinc/53/70/14/387537014.db2.gz BAFSJEHUXPQBLR-ZYHUDNBSSA-N 1 2 246.314 1.519 20 0 BDADLO CC(C)CCOCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352758300 387474611 /nfs/dbraw/zinc/47/46/11/387474611.db2.gz IZVRISRDXWJYBU-WBMJQRKESA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)CCOCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000352758300 387474616 /nfs/dbraw/zinc/47/46/16/387474616.db2.gz IZVRISRDXWJYBU-WBMJQRKESA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336621268 387476329 /nfs/dbraw/zinc/47/63/29/387476329.db2.gz GBCKNEYLKMIBDY-VIFPVBQESA-N 1 2 221.304 1.429 20 0 BDADLO CC(C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336621268 387476332 /nfs/dbraw/zinc/47/63/32/387476332.db2.gz GBCKNEYLKMIBDY-VIFPVBQESA-N 1 2 221.304 1.429 20 0 BDADLO Cc1nc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)no1 ZINC000374650960 387478860 /nfs/dbraw/zinc/47/88/60/387478860.db2.gz ZCDGOBGELLJGNS-NEPJUHHUSA-N 1 2 237.303 1.425 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C=C1CCC1)CC2 ZINC000374666351 387478929 /nfs/dbraw/zinc/47/89/29/387478929.db2.gz WGKKBFIKTXKHSC-UHFFFAOYSA-N 1 2 231.299 1.644 20 0 BDADLO COCc1cc(N[C@@H](C)Cn2cc[nH+]c2)ncn1 ZINC000516206605 387479203 /nfs/dbraw/zinc/47/92/03/387479203.db2.gz OQPZTLNHJUAVRV-JTQLQIEISA-N 1 2 247.302 1.320 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)CCC1CC1)CC2 ZINC000374682925 387481569 /nfs/dbraw/zinc/48/15/69/387481569.db2.gz NFVKQCKABIDNNE-UHFFFAOYSA-N 1 2 233.315 1.724 20 0 BDADLO CC[C@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000421915006 387486944 /nfs/dbraw/zinc/48/69/44/387486944.db2.gz MEQJEEQRUPDEAO-VIFPVBQESA-N 1 2 223.320 1.850 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374819469 387493013 /nfs/dbraw/zinc/49/30/13/387493013.db2.gz NPOYCMFTOXYPMG-STQMWFEESA-N 1 2 247.294 1.241 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374819469 387493016 /nfs/dbraw/zinc/49/30/16/387493016.db2.gz NPOYCMFTOXYPMG-STQMWFEESA-N 1 2 247.294 1.241 20 0 BDADLO CCCn1ncnc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000336789824 387582734 /nfs/dbraw/zinc/58/27/34/387582734.db2.gz UXDVKZJSMKGHHB-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO Cn1ncc(C[NH2+]Cc2ccc(Cl)cn2)n1 ZINC000293388352 387587537 /nfs/dbraw/zinc/58/75/37/387587537.db2.gz WUJAIIYWYGKHAA-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO COC(=O)c1cc(C[NH2+]CC(F)F)n(C)c1C ZINC000298062573 387593188 /nfs/dbraw/zinc/59/31/88/387593188.db2.gz KEWLUBUQSKJTMF-UHFFFAOYSA-N 1 2 246.257 1.475 20 0 BDADLO C[N@H+](Cc1cncs1)[C@H]1CCCCNC1=O ZINC000123848443 387596854 /nfs/dbraw/zinc/59/68/54/387596854.db2.gz JYNVHLBXSHRLRG-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO C[N@@H+](Cc1cncs1)[C@H]1CCCCNC1=O ZINC000123848443 387596858 /nfs/dbraw/zinc/59/68/58/387596858.db2.gz JYNVHLBXSHRLRG-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CC[NH+](CC)CCCSc1n[nH]c(=O)[nH]1 ZINC000355955105 387598277 /nfs/dbraw/zinc/59/82/77/387598277.db2.gz VBBAECTVYMSTOQ-UHFFFAOYSA-N 1 2 230.337 1.334 20 0 BDADLO CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000355991559 387603148 /nfs/dbraw/zinc/60/31/48/387603148.db2.gz QXEBBNKYTAZYMQ-BXKDBHETSA-N 1 2 236.315 1.812 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](Cc2nnnn2C2CC2)C1 ZINC000430265859 387603653 /nfs/dbraw/zinc/60/36/53/387603653.db2.gz WLLXARFLMXZOGQ-SECBINFHSA-N 1 2 233.319 1.406 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000430265859 387603656 /nfs/dbraw/zinc/60/36/56/387603656.db2.gz WLLXARFLMXZOGQ-SECBINFHSA-N 1 2 233.319 1.406 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cnn(C)c1 ZINC000305451308 387606866 /nfs/dbraw/zinc/60/68/66/387606866.db2.gz OLICHRIGPWYAEL-ZJUUUORDSA-N 1 2 233.319 1.565 20 0 BDADLO O=C(CCCC(F)(F)F)NCc1[nH]cc[nH+]1 ZINC000356019562 387607009 /nfs/dbraw/zinc/60/70/09/387607009.db2.gz GTAIGRMAQAXHRI-UHFFFAOYSA-N 1 2 235.209 1.759 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1nccn1C)c1cnn(C)c1 ZINC000305451299 387607221 /nfs/dbraw/zinc/60/72/21/387607221.db2.gz OLICHRIGPWYAEL-NXEZZACHSA-N 1 2 233.319 1.565 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)ccn1 ZINC000527541093 387613308 /nfs/dbraw/zinc/61/33/08/387613308.db2.gz ZVDFMGGSMNKIRR-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)ccn1 ZINC000527541093 387613312 /nfs/dbraw/zinc/61/33/12/387613312.db2.gz ZVDFMGGSMNKIRR-LLVKDONJSA-N 1 2 233.315 1.053 20 0 BDADLO O=C1NCc2ccc(NCc3[nH]cc[nH+]3)cc21 ZINC000124505541 387620415 /nfs/dbraw/zinc/62/04/15/387620415.db2.gz DVBNOJQCXFFIMC-UHFFFAOYSA-N 1 2 228.255 1.265 20 0 BDADLO COC(=O)[C@H](C)NCc1c[nH+]c2c(C)cccn12 ZINC000355644579 387561637 /nfs/dbraw/zinc/56/16/37/387561637.db2.gz ANRJAQFDSWZJKS-JTQLQIEISA-N 1 2 247.298 1.294 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000332773126 387575669 /nfs/dbraw/zinc/57/56/69/387575669.db2.gz IYSLMUBBYTTYID-PSASIEDQSA-N 1 2 233.315 1.429 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000332773126 387575674 /nfs/dbraw/zinc/57/56/74/387575674.db2.gz IYSLMUBBYTTYID-PSASIEDQSA-N 1 2 233.315 1.429 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@H]2CCO)no1 ZINC000336691433 387579971 /nfs/dbraw/zinc/57/99/71/387579971.db2.gz HBCCRMXLVRDAGF-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@H]2CCO)no1 ZINC000336691433 387579974 /nfs/dbraw/zinc/57/99/74/387579974.db2.gz HBCCRMXLVRDAGF-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573669 387632489 /nfs/dbraw/zinc/63/24/89/387632489.db2.gz VVZIRSHJUKSORS-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573669 387632494 /nfs/dbraw/zinc/63/24/94/387632494.db2.gz VVZIRSHJUKSORS-WDEREUQCSA-N 1 2 227.304 1.049 20 0 BDADLO Cc1ccoc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000124823235 387634904 /nfs/dbraw/zinc/63/49/04/387634904.db2.gz RZEDZHLFTPEAKX-UHFFFAOYSA-N 1 2 234.299 1.508 20 0 BDADLO O=C(CO)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000305729618 387639047 /nfs/dbraw/zinc/63/90/47/387639047.db2.gz SYIZJRJZYYRJNM-UHFFFAOYSA-N 1 2 244.250 1.805 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC1(CO)CCCC1 ZINC000305729782 387639259 /nfs/dbraw/zinc/63/92/59/387639259.db2.gz MZPRQYLERRDIHB-UHFFFAOYSA-N 1 2 249.314 1.817 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000305740145 387639615 /nfs/dbraw/zinc/63/96/15/387639615.db2.gz CKVFNLDIWKFFJR-MFKMUULPSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)o1 ZINC000305740145 387639619 /nfs/dbraw/zinc/63/96/19/387639619.db2.gz CKVFNLDIWKFFJR-MFKMUULPSA-N 1 2 239.315 1.424 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ccn1 ZINC000362691174 387650534 /nfs/dbraw/zinc/65/05/34/387650534.db2.gz YQSISZIOQGLWCK-STQMWFEESA-N 1 2 248.326 1.844 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccn1 ZINC000362691174 387650537 /nfs/dbraw/zinc/65/05/37/387650537.db2.gz YQSISZIOQGLWCK-STQMWFEESA-N 1 2 248.326 1.844 20 0 BDADLO CC[C@H](NC(=O)c1csnn1)c1[nH]cc[nH+]1 ZINC000125324833 387651490 /nfs/dbraw/zinc/65/14/90/387651490.db2.gz YOKBNEZSRJYBSM-LURJTMIESA-N 1 2 237.288 1.142 20 0 BDADLO C[C@H](CNC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000356383574 387652350 /nfs/dbraw/zinc/65/23/50/387652350.db2.gz FIRRQYSTPVUJBX-MRVPVSSYSA-N 1 2 249.236 1.588 20 0 BDADLO C[N@H+](CCO)Cc1ncc(Cl)cc1Cl ZINC000305821151 387660002 /nfs/dbraw/zinc/66/00/02/387660002.db2.gz MITGEDUFWDORMY-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@@H+](CCO)Cc1ncc(Cl)cc1Cl ZINC000305821151 387660005 /nfs/dbraw/zinc/66/00/05/387660005.db2.gz MITGEDUFWDORMY-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCC12CC2 ZINC000527704835 387668589 /nfs/dbraw/zinc/66/85/89/387668589.db2.gz HHGFAGDVROAFBN-LLVKDONJSA-N 1 2 247.342 1.959 20 0 BDADLO C[C@@H](CO)C[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431038799 387673776 /nfs/dbraw/zinc/67/37/76/387673776.db2.gz PLWRHDIUXOUEDS-MRVPVSSYSA-N 1 2 237.278 1.175 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000440704916 387673982 /nfs/dbraw/zinc/67/39/82/387673982.db2.gz XLIHARFZKYGPKN-RKDXNWHRSA-N 1 2 203.257 1.372 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000440704916 387673987 /nfs/dbraw/zinc/67/39/87/387673987.db2.gz XLIHARFZKYGPKN-RKDXNWHRSA-N 1 2 203.257 1.372 20 0 BDADLO CCC1(C(=O)Nc2ccc(N)[nH+]c2)CCOCC1 ZINC000422778588 387674291 /nfs/dbraw/zinc/67/42/91/387674291.db2.gz ATTCUJVEDQGVJF-UHFFFAOYSA-N 1 2 249.314 1.639 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)C1CC1)CC2 ZINC000376935232 387678374 /nfs/dbraw/zinc/67/83/74/387678374.db2.gz WGBDVKIGWHTGPY-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCOC[C@@H]1C ZINC000126326329 387678948 /nfs/dbraw/zinc/67/89/48/387678948.db2.gz ISTSATPGMXZIIA-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCOC[C@@H]1C ZINC000126326329 387678954 /nfs/dbraw/zinc/67/89/54/387678954.db2.gz ISTSATPGMXZIIA-NSHDSACASA-N 1 2 228.336 1.014 20 0 BDADLO CCCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000362958647 387679712 /nfs/dbraw/zinc/67/97/12/387679712.db2.gz QRPMDZCJIKQVFL-UHFFFAOYSA-N 1 2 232.278 1.775 20 0 BDADLO CCCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000362958647 387679715 /nfs/dbraw/zinc/67/97/15/387679715.db2.gz QRPMDZCJIKQVFL-UHFFFAOYSA-N 1 2 232.278 1.775 20 0 BDADLO FC(F)Cn1ncnc1C[NH+]1CCCC1 ZINC000362969682 387681716 /nfs/dbraw/zinc/68/17/16/387681716.db2.gz ONJAKCZCFLQPEH-UHFFFAOYSA-N 1 2 216.235 1.139 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000440718195 387681739 /nfs/dbraw/zinc/68/17/39/387681739.db2.gz ZLASJIGZHKLGQE-NEPJUHHUSA-N 1 2 232.343 1.387 20 0 BDADLO CC[C@H](F)C[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000440718195 387681742 /nfs/dbraw/zinc/68/17/42/387681742.db2.gz ZLASJIGZHKLGQE-NEPJUHHUSA-N 1 2 232.343 1.387 20 0 BDADLO Cc1cc(C)c(C(=O)NCCn2cc[nH+]c2)[nH]1 ZINC000123312820 387684359 /nfs/dbraw/zinc/68/43/59/387684359.db2.gz OJAOXAVDFLNACC-UHFFFAOYSA-N 1 2 232.287 1.258 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363202321 387696432 /nfs/dbraw/zinc/69/64/32/387696432.db2.gz PMRQXQQZDHIIAQ-MNOVXSKESA-N 1 2 235.331 1.606 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(Cc2ccon2)CC1 ZINC000440758592 387687276 /nfs/dbraw/zinc/68/72/76/387687276.db2.gz AHLWBHNFEIXKIA-NSHDSACASA-N 1 2 241.310 1.540 20 0 BDADLO COC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377725940 387743930 /nfs/dbraw/zinc/74/39/30/387743930.db2.gz RLJRGHGISVGZHS-GXSJLCMTSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377725940 387743934 /nfs/dbraw/zinc/74/39/34/387743934.db2.gz RLJRGHGISVGZHS-GXSJLCMTSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@H]([NH2+]Cc1cnccn1)c1ncccc1F ZINC000527828378 387748452 /nfs/dbraw/zinc/74/84/52/387748452.db2.gz SMNLXDKXLRFAQV-VIFPVBQESA-N 1 2 232.262 1.862 20 0 BDADLO C[C@H](F)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000356684911 387700382 /nfs/dbraw/zinc/70/03/82/387700382.db2.gz ANYKZWCYAHRPIX-QMMMGPOBSA-N 1 2 213.256 1.207 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](F)CC ZINC000440790306 387700667 /nfs/dbraw/zinc/70/06/67/387700667.db2.gz KPIRMRUZLDCHDJ-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](F)CC ZINC000440790306 387700671 /nfs/dbraw/zinc/70/06/71/387700671.db2.gz KPIRMRUZLDCHDJ-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO C[C@@H](F)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000356695806 387702604 /nfs/dbraw/zinc/70/26/04/387702604.db2.gz UQQCNNPIDWLKMR-SECBINFHSA-N 1 2 235.262 1.812 20 0 BDADLO c1[nH]cc(C2CCN(Cc3csnn3)CC2)[nH+]1 ZINC000377235033 387704674 /nfs/dbraw/zinc/70/46/74/387704674.db2.gz XXHIEOBPCHZQGC-UHFFFAOYSA-N 1 2 249.343 1.641 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2csnn2)CC1 ZINC000377244729 387704839 /nfs/dbraw/zinc/70/48/39/387704839.db2.gz MGWCFIUOWCSFPX-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2csnn2)CC1 ZINC000377244729 387704848 /nfs/dbraw/zinc/70/48/48/387704848.db2.gz MGWCFIUOWCSFPX-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO COc1cc[nH+]cc1CNc1ncc(F)cn1 ZINC000431430066 387709821 /nfs/dbraw/zinc/70/98/21/387709821.db2.gz CURKXRDXBCYQPP-UHFFFAOYSA-N 1 2 234.234 1.053 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@H]1CCC[C@H](C)C1 ZINC000452062859 387719373 /nfs/dbraw/zinc/71/93/73/387719373.db2.gz UPUVIQASUFPJQA-GUBZILKMSA-N 1 2 238.335 1.815 20 0 BDADLO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)[C@@H]1CCC[C@@H](C)C1 ZINC000452062860 387719584 /nfs/dbraw/zinc/71/95/84/387719584.db2.gz UPUVIQASUFPJQA-KXUCPTDWSA-N 1 2 238.335 1.815 20 0 BDADLO CSCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483361 387719967 /nfs/dbraw/zinc/71/99/67/387719967.db2.gz CARPVDBQNMPWHA-QMMMGPOBSA-N 1 2 242.348 1.053 20 0 BDADLO CSCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377483361 387719974 /nfs/dbraw/zinc/71/99/74/387719974.db2.gz CARPVDBQNMPWHA-QMMMGPOBSA-N 1 2 242.348 1.053 20 0 BDADLO CSC[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000356802629 387721437 /nfs/dbraw/zinc/72/14/37/387721437.db2.gz QDWWMACZZZCWPF-QMMMGPOBSA-N 1 2 227.333 1.035 20 0 BDADLO CCc1nc(C(C)(C)[NH2+]Cc2cccn2C)no1 ZINC000441204735 387734592 /nfs/dbraw/zinc/73/45/92/387734592.db2.gz VBCKKGZWCKSUSU-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCO[C@@H](C)C2)nn1 ZINC000377650086 387735784 /nfs/dbraw/zinc/73/57/84/387735784.db2.gz NJGYSZKZJLKKFM-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCO[C@@H](C)C2)nn1 ZINC000377650086 387735791 /nfs/dbraw/zinc/73/57/91/387735791.db2.gz NJGYSZKZJLKKFM-NSHDSACASA-N 1 2 238.335 1.470 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000115741274 387739584 /nfs/dbraw/zinc/73/95/84/387739584.db2.gz CGELSCCGGJMHDL-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccnc1 ZINC000115741274 387739589 /nfs/dbraw/zinc/73/95/89/387739589.db2.gz CGELSCCGGJMHDL-LBPRGKRZSA-N 1 2 206.289 1.692 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ccnn2CC)CCO1 ZINC000128170024 387740622 /nfs/dbraw/zinc/74/06/22/387740622.db2.gz ONONHVIGKASIGO-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ccnn2CC)CCO1 ZINC000128170024 387740625 /nfs/dbraw/zinc/74/06/25/387740625.db2.gz ONONHVIGKASIGO-CYBMUJFWSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)[C@]1(CO)CC[N@H+](Cc2csnn2)C1 ZINC000378137803 387767972 /nfs/dbraw/zinc/76/79/72/387767972.db2.gz ZMCJWMVNWWNEFV-LLVKDONJSA-N 1 2 241.360 1.379 20 0 BDADLO CC(C)[C@]1(CO)CC[N@@H+](Cc2csnn2)C1 ZINC000378137803 387767974 /nfs/dbraw/zinc/76/79/74/387767974.db2.gz ZMCJWMVNWWNEFV-LLVKDONJSA-N 1 2 241.360 1.379 20 0 BDADLO O=C(/C=C/C1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378197601 387768911 /nfs/dbraw/zinc/76/89/11/387768911.db2.gz AVDPBOBSZKSHSC-QLCVYAKKSA-N 1 2 231.299 1.349 20 0 BDADLO O=C(C=CC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378197601 387768914 /nfs/dbraw/zinc/76/89/14/387768914.db2.gz AVDPBOBSZKSHSC-QLCVYAKKSA-N 1 2 231.299 1.349 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1[nH+]cccc1OC ZINC000527891229 387774347 /nfs/dbraw/zinc/77/43/47/387774347.db2.gz GAISKVSUBIBDIN-VHSXEESVSA-N 1 2 224.304 1.909 20 0 BDADLO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000378291467 387774637 /nfs/dbraw/zinc/77/46/37/387774637.db2.gz IOVUGGNSYLIJPP-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000378291467 387774641 /nfs/dbraw/zinc/77/46/41/387774641.db2.gz IOVUGGNSYLIJPP-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO O=C1OCC[C@@H]1[NH+]1CCC(c2ccccn2)CC1 ZINC000378260096 387774647 /nfs/dbraw/zinc/77/46/47/387774647.db2.gz OVQRLIDPVRISDY-ZDUSSCGKSA-N 1 2 246.310 1.577 20 0 BDADLO Cc1oncc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000129586849 387774882 /nfs/dbraw/zinc/77/48/82/387774882.db2.gz ULMPQWBNQMNIJZ-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1oncc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000129586849 387774886 /nfs/dbraw/zinc/77/48/86/387774886.db2.gz ULMPQWBNQMNIJZ-LBPRGKRZSA-N 1 2 222.288 1.594 20 0 BDADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cnnn1CC ZINC000527918457 387788589 /nfs/dbraw/zinc/78/85/89/387788589.db2.gz XYEPBOOVNZSJQB-SNVBAGLBSA-N 1 2 248.334 1.365 20 0 BDADLO Clc1cccnc1C[N@@H+]1CCCOCC1 ZINC000527534546 387788678 /nfs/dbraw/zinc/78/86/78/387788678.db2.gz UMYNASQBVOINRE-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1cccnc1C[N@H+]1CCCOCC1 ZINC000527534546 387788681 /nfs/dbraw/zinc/78/86/81/387788681.db2.gz UMYNASQBVOINRE-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO CC(C)c1nc(N[C@H]2C(=O)NCC[C@H]2C)cc[nH+]1 ZINC000193529199 387793853 /nfs/dbraw/zinc/79/38/53/387793853.db2.gz GKGBXCSMVFIKNJ-MWLCHTKSSA-N 1 2 248.330 1.537 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCC(C)(O)CC1 ZINC000160813966 387802746 /nfs/dbraw/zinc/80/27/46/387802746.db2.gz NGDJYYITSVOIPC-UHFFFAOYSA-N 1 2 245.326 1.925 20 0 BDADLO CC(C)OCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452330397 387805266 /nfs/dbraw/zinc/80/52/66/387805266.db2.gz ASWBFWCRGLXUEP-UHFFFAOYSA-N 1 2 237.303 1.583 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2ccon2)cn1 ZINC000309489503 387805280 /nfs/dbraw/zinc/80/52/80/387805280.db2.gz HXJBDJZSHPBVOY-UHFFFAOYSA-N 1 2 220.276 1.433 20 0 BDADLO COC[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452337068 387806699 /nfs/dbraw/zinc/80/66/99/387806699.db2.gz YHWLPXSVEMSANV-VIFPVBQESA-N 1 2 237.303 1.440 20 0 BDADLO Cn1c[nH+]cc1Cn1nnc(-c2ccsc2)n1 ZINC000432667271 387807866 /nfs/dbraw/zinc/80/78/66/387807866.db2.gz LMYSUFMRSIYAQQ-UHFFFAOYSA-N 1 2 246.299 1.183 20 0 BDADLO [NH3+][C@@H](C(=O)NCC1CC1)c1c(F)cccc1F ZINC000422959968 387810850 /nfs/dbraw/zinc/81/08/50/387810850.db2.gz UWJLOKQWLQBPDX-LLVKDONJSA-N 1 2 240.253 1.491 20 0 BDADLO COc1ccc[nH+]c1N(C)[C@H]1CCCOC1 ZINC000528017046 387822371 /nfs/dbraw/zinc/82/23/71/387822371.db2.gz XQKNLUPKJOEGAY-JTQLQIEISA-N 1 2 222.288 1.705 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOCC(F)F)C(C)C ZINC000309581170 387831486 /nfs/dbraw/zinc/83/14/86/387831486.db2.gz QLEDDKOTSVBEKS-VIFPVBQESA-N 1 2 239.262 1.055 20 0 BDADLO CN(Cc1cocn1)Cc1[nH+]ccn1C ZINC000432912054 387839240 /nfs/dbraw/zinc/83/92/40/387839240.db2.gz LNCLJILMDURDKE-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO CC[C@H](NC(=O)c1ccn(C)c1)c1[nH]cc[nH+]1 ZINC000442789576 387841546 /nfs/dbraw/zinc/84/15/46/387841546.db2.gz FKIMIPPTKREWAK-JTQLQIEISA-N 1 2 232.287 1.629 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)Cc2nc[nH]n2)[nH+]1 ZINC000432932904 387842898 /nfs/dbraw/zinc/84/28/98/387842898.db2.gz LAXFDHHGNIAQOI-UHFFFAOYSA-N 1 2 243.274 1.021 20 0 BDADLO C[N@H+](CCc1cnccn1)Cc1cocn1 ZINC000432927529 387844001 /nfs/dbraw/zinc/84/40/01/387844001.db2.gz IFDPMXLNBASNOG-UHFFFAOYSA-N 1 2 218.260 1.139 20 0 BDADLO C[N@@H+](CCc1cnccn1)Cc1cocn1 ZINC000432927529 387844010 /nfs/dbraw/zinc/84/40/10/387844010.db2.gz IFDPMXLNBASNOG-UHFFFAOYSA-N 1 2 218.260 1.139 20 0 BDADLO CC[C@H](NC(=O)c1cncnc1C)c1[nH]cc[nH+]1 ZINC000442813007 387845692 /nfs/dbraw/zinc/84/56/92/387845692.db2.gz SJZHSMIJPHEDGB-JTQLQIEISA-N 1 2 245.286 1.389 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000452573851 387862357 /nfs/dbraw/zinc/86/23/57/387862357.db2.gz YKDNCPYRUWKCKJ-CBAPKCEASA-N 1 2 243.257 1.420 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1occc1C ZINC000452573701 387862531 /nfs/dbraw/zinc/86/25/31/387862531.db2.gz LMLIZYFDQSSMHP-UHFFFAOYSA-N 1 2 233.271 1.734 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000194536172 387890928 /nfs/dbraw/zinc/89/09/28/387890928.db2.gz PKCCFEOWXDHGMR-WCQGTBRESA-N 1 2 239.315 1.097 20 0 BDADLO C/C(Cl)=C\C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000528338139 387894833 /nfs/dbraw/zinc/89/48/33/387894833.db2.gz MEBJWZYPZNEPKI-NYYWCZLTSA-N 1 2 244.766 1.929 20 0 BDADLO C/C(Cl)=C\C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000528335028 387894940 /nfs/dbraw/zinc/89/49/40/387894940.db2.gz BLTNDUTVZZQREI-ONNFQVAWSA-N 1 2 242.750 1.683 20 0 BDADLO COc1c(N)[nH+]cnc1NCC[C@H]1CC=CCC1 ZINC000528184317 387875056 /nfs/dbraw/zinc/87/50/56/387875056.db2.gz YXTPOFLTPAMCHC-JTQLQIEISA-N 1 2 248.330 1.648 20 0 BDADLO COc1c(N)nc[nH+]c1NCC[C@H]1CC=CCC1 ZINC000528184317 387875065 /nfs/dbraw/zinc/87/50/65/387875065.db2.gz YXTPOFLTPAMCHC-JTQLQIEISA-N 1 2 248.330 1.648 20 0 BDADLO C[C@H]1CC[C@@H](c2noc(Cc3c[nH+]cn3C)n2)O1 ZINC000528246416 387877137 /nfs/dbraw/zinc/87/71/37/387877137.db2.gz WOECZNNSOUGJOD-WPRPVWTQSA-N 1 2 248.286 1.634 20 0 BDADLO c1c(C[N@@H+]2C[C@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450577452 387877328 /nfs/dbraw/zinc/87/73/28/387877328.db2.gz DOPGSAYKTZFJKC-YPMHNXCESA-N 1 2 232.331 1.672 20 0 BDADLO c1c(C[N@H+]2C[C@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450577452 387877334 /nfs/dbraw/zinc/87/73/34/387877334.db2.gz DOPGSAYKTZFJKC-YPMHNXCESA-N 1 2 232.331 1.672 20 0 BDADLO Cc1cc(NCC2COC2)nc(C2CC2)[nH+]1 ZINC000528226497 387881842 /nfs/dbraw/zinc/88/18/42/387881842.db2.gz UWZXNJMWSDGNST-UHFFFAOYSA-N 1 2 219.288 1.143 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000448710208 387898573 /nfs/dbraw/zinc/89/85/73/387898573.db2.gz SPTFRRRKDOJFFE-NDBYEHHHSA-N 1 2 247.342 1.824 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000528404108 387887523 /nfs/dbraw/zinc/88/75/23/387887523.db2.gz MDPDEZWSPDTDNF-NRCMDQDQSA-N 1 2 219.712 1.211 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000528404108 387887528 /nfs/dbraw/zinc/88/75/28/387887528.db2.gz MDPDEZWSPDTDNF-NRCMDQDQSA-N 1 2 219.712 1.211 20 0 BDADLO CCCc1nc(C[N@H+](C)CC2CC2)no1 ZINC000054990151 387901934 /nfs/dbraw/zinc/90/19/34/387901934.db2.gz CRVTWPWWOHDFJZ-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CCCc1nc(C[N@@H+](C)CC2CC2)no1 ZINC000054990151 387901937 /nfs/dbraw/zinc/90/19/37/387901937.db2.gz CRVTWPWWOHDFJZ-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO C[N@@H+](Cc1coc(S(C)(=O)=O)c1)CC1CC1 ZINC000528353064 387906561 /nfs/dbraw/zinc/90/65/61/387906561.db2.gz CGYXRLRZOHEHJJ-UHFFFAOYSA-N 1 2 243.328 1.525 20 0 BDADLO C[N@H+](Cc1coc(S(C)(=O)=O)c1)CC1CC1 ZINC000528353064 387906565 /nfs/dbraw/zinc/90/65/65/387906565.db2.gz CGYXRLRZOHEHJJ-UHFFFAOYSA-N 1 2 243.328 1.525 20 0 BDADLO COCC[N@H+](C)Cc1ncccc1Cl ZINC000528353601 387906920 /nfs/dbraw/zinc/90/69/20/387906920.db2.gz MMXFDVFBBIWHDR-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO COCC[N@@H+](C)Cc1ncccc1Cl ZINC000528353601 387906923 /nfs/dbraw/zinc/90/69/23/387906923.db2.gz MMXFDVFBBIWHDR-UHFFFAOYSA-N 1 2 214.696 1.813 20 0 BDADLO CCO[C@@H](COCc1[nH]cc[nH+]1)C1CC1 ZINC000629167279 387911937 /nfs/dbraw/zinc/91/19/37/387911937.db2.gz FTAQTJBSWPFSKD-JTQLQIEISA-N 1 2 210.277 1.741 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444700894 387913614 /nfs/dbraw/zinc/91/36/14/387913614.db2.gz GLAJVFBRUJVTSB-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncnc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444700894 387913619 /nfs/dbraw/zinc/91/36/19/387913619.db2.gz GLAJVFBRUJVTSB-MRVPVSSYSA-N 1 2 248.252 1.589 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000452776571 387915325 /nfs/dbraw/zinc/91/53/25/387915325.db2.gz PCQYDWGITGFQBH-BDAKNGLRSA-N 1 2 207.277 1.494 20 0 BDADLO COC(=O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533057395 387923466 /nfs/dbraw/zinc/92/34/66/387923466.db2.gz NCFSSGUYCNCHRZ-UHFFFAOYSA-N 1 2 249.310 1.455 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245522468 387953537 /nfs/dbraw/zinc/95/35/37/387953537.db2.gz UMBJUOWYKAMPGI-WOPDTQHZSA-N 1 2 245.326 1.433 20 0 BDADLO CCOC(=O)c1nn(C)cc1C[NH+]1CC(C)C1 ZINC000438846953 387958117 /nfs/dbraw/zinc/95/81/17/387958117.db2.gz BNNNHOJNJKBMJI-UHFFFAOYSA-N 1 2 237.303 1.049 20 0 BDADLO CCCN(CC(C)(C)O)c1cc(C)[nH+]cn1 ZINC000439101642 387980253 /nfs/dbraw/zinc/98/02/53/387980253.db2.gz YKRFMUNBGUAXKE-UHFFFAOYSA-N 1 2 223.320 1.772 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245751283 387981048 /nfs/dbraw/zinc/98/10/48/387981048.db2.gz NWVPSMLETHEMGE-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245751283 387981051 /nfs/dbraw/zinc/98/10/51/387981051.db2.gz NWVPSMLETHEMGE-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO CCCCNc1cc(NCC(C)C)nc(N)[nH+]1 ZINC000439127318 387981904 /nfs/dbraw/zinc/98/19/04/387981904.db2.gz AOCDLJFPUOLJFN-UHFFFAOYSA-N 1 2 237.351 1.591 20 0 BDADLO CCCCNc1cc(NCC(C)C)[nH+]c(N)n1 ZINC000439127318 387981908 /nfs/dbraw/zinc/98/19/08/387981908.db2.gz AOCDLJFPUOLJFN-UHFFFAOYSA-N 1 2 237.351 1.591 20 0 BDADLO COC[C@@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000445848218 387974907 /nfs/dbraw/zinc/97/49/07/387974907.db2.gz IOBDAWKPNCDZHH-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H](CO)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000158999355 387978467 /nfs/dbraw/zinc/97/84/67/387978467.db2.gz LCORTAXYDBKSSX-QMMMGPOBSA-N 1 2 205.261 1.380 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3nccn32)[C@@H](C)CO1 ZINC000245858737 387987605 /nfs/dbraw/zinc/98/76/05/387987605.db2.gz ODDZBFQNWQSKLZ-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3nccn32)[C@@H](C)CO1 ZINC000245858737 387987609 /nfs/dbraw/zinc/98/76/09/387987609.db2.gz ODDZBFQNWQSKLZ-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@H]1CN(Cc2cccc3[nH+]ccn32)[C@@H](C)CO1 ZINC000245858737 387987614 /nfs/dbraw/zinc/98/76/14/387987614.db2.gz ODDZBFQNWQSKLZ-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@@H](C)[C@H](C)O1 ZINC000446074651 387995933 /nfs/dbraw/zinc/99/59/33/387995933.db2.gz YHNHAFBAEZBZQC-VWYCJHECSA-N 1 2 240.347 1.010 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@@H](C)[C@H](C)O1 ZINC000446074651 387995938 /nfs/dbraw/zinc/99/59/38/387995938.db2.gz YHNHAFBAEZBZQC-VWYCJHECSA-N 1 2 240.347 1.010 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C)[C@@H]1C ZINC000446060416 387987098 /nfs/dbraw/zinc/98/70/98/387987098.db2.gz IJVHSMQXUUJZOK-GRYCIOLGSA-N 1 2 242.363 1.351 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C)[C@@H]1C ZINC000446060416 387987103 /nfs/dbraw/zinc/98/71/03/387987103.db2.gz IJVHSMQXUUJZOK-GRYCIOLGSA-N 1 2 242.363 1.351 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)[C@@H](C)[C@H](C)O1 ZINC000446077918 387997056 /nfs/dbraw/zinc/99/70/56/387997056.db2.gz GHUOJQFSCBEIQV-VWYCJHECSA-N 1 2 240.347 1.105 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)[C@@H](C)[C@H](C)O1 ZINC000446077918 387997060 /nfs/dbraw/zinc/99/70/60/387997060.db2.gz GHUOJQFSCBEIQV-VWYCJHECSA-N 1 2 240.347 1.105 20 0 BDADLO C[C@H](CC(=O)N(C)C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423220541 388002703 /nfs/dbraw/zinc/00/27/03/388002703.db2.gz VMGWIGULORUNDA-SNVBAGLBSA-N 1 2 247.342 1.933 20 0 BDADLO C[C@H](CC(=O)N(C)C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423220541 388002705 /nfs/dbraw/zinc/00/27/05/388002705.db2.gz VMGWIGULORUNDA-SNVBAGLBSA-N 1 2 247.342 1.933 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncccn2)CCCO1 ZINC000439478600 388003130 /nfs/dbraw/zinc/00/31/30/388003130.db2.gz OUUVLNVXZGCSGA-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncccn2)CCCO1 ZINC000439478600 388003133 /nfs/dbraw/zinc/00/31/33/388003133.db2.gz OUUVLNVXZGCSGA-LLVKDONJSA-N 1 2 221.304 1.478 20 0 BDADLO CNC(=O)c1ccccc1OCc1c[nH+]cn1C ZINC000439554706 388010096 /nfs/dbraw/zinc/01/00/96/388010096.db2.gz XOXIAQLKQDULKC-UHFFFAOYSA-N 1 2 245.282 1.359 20 0 BDADLO C[N@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000046602158 388033799 /nfs/dbraw/zinc/03/37/99/388033799.db2.gz APXGMHSWZPFEPR-UHFFFAOYSA-N 1 2 229.287 1.257 20 0 BDADLO C[N@@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000046602158 388033803 /nfs/dbraw/zinc/03/38/03/388033803.db2.gz APXGMHSWZPFEPR-UHFFFAOYSA-N 1 2 229.287 1.257 20 0 BDADLO CC[C@@H](N[C@@H]1CCn2cc[nH+]c21)C(F)F ZINC000453252777 388026894 /nfs/dbraw/zinc/02/68/94/388026894.db2.gz VRRZKOMZEDMHJZ-HTQZYQBOSA-N 1 2 215.247 1.961 20 0 BDADLO CC(C)c1nnc(CNc2cccc[nH+]2)[nH]1 ZINC000450627929 388031465 /nfs/dbraw/zinc/03/14/65/388031465.db2.gz ZSKQWRSVFXIWGY-UHFFFAOYSA-N 1 2 217.276 1.935 20 0 BDADLO CC(C)c1nsc(NCCn2cc[nH+]c2)n1 ZINC000083654135 388057603 /nfs/dbraw/zinc/05/76/03/388057603.db2.gz SEHXRCYUKVMOTK-UHFFFAOYSA-N 1 2 237.332 1.970 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000440690516 388066607 /nfs/dbraw/zinc/06/66/07/388066607.db2.gz CLWGKOSPNLUOAP-SNVBAGLBSA-N 1 2 238.310 1.719 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000440690516 388066608 /nfs/dbraw/zinc/06/66/08/388066608.db2.gz CLWGKOSPNLUOAP-SNVBAGLBSA-N 1 2 238.310 1.719 20 0 BDADLO CC[C@@H](F)C[N@H+](C)CC(=O)NC(C)C ZINC000440703554 388071127 /nfs/dbraw/zinc/07/11/27/388071127.db2.gz JBAWEXBQRSUWBQ-SECBINFHSA-N 1 2 204.289 1.191 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)CC(=O)NC(C)C ZINC000440703554 388071131 /nfs/dbraw/zinc/07/11/31/388071131.db2.gz JBAWEXBQRSUWBQ-SECBINFHSA-N 1 2 204.289 1.191 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CCCO1 ZINC000084221905 388075087 /nfs/dbraw/zinc/07/50/87/388075087.db2.gz UCYBTXFRUUDJBF-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000084221905 388075091 /nfs/dbraw/zinc/07/50/91/388075091.db2.gz UCYBTXFRUUDJBF-MNOVXSKESA-N 1 2 243.347 1.827 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)N1CCC1 ZINC000046944812 388076529 /nfs/dbraw/zinc/07/65/29/388076529.db2.gz UARMEKGMHFIGOI-UHFFFAOYSA-N 1 2 234.303 1.299 20 0 BDADLO c1sc([C@@H]2COCC[NH2+]2)nc1C1CC1 ZINC000084390918 388077730 /nfs/dbraw/zinc/07/77/30/388077730.db2.gz CUMCHDANMYZYBY-QMMMGPOBSA-N 1 2 210.302 1.681 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085673512 388093485 /nfs/dbraw/zinc/09/34/85/388093485.db2.gz WFDFENGQCWUWEQ-ZDCRXTMVSA-N 1 2 241.331 1.341 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674255 388093681 /nfs/dbraw/zinc/09/36/81/388093681.db2.gz BCPAWIVPCZXPLK-WCQGTBRESA-N 1 2 241.331 1.343 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000447855445 388097981 /nfs/dbraw/zinc/09/79/81/388097981.db2.gz RFRGDTIFMGFIAX-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000447855445 388097985 /nfs/dbraw/zinc/09/79/85/388097985.db2.gz RFRGDTIFMGFIAX-NSHDSACASA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@@H+]1CCC[C@@H](OC)C1 ZINC000447853708 388098420 /nfs/dbraw/zinc/09/84/20/388098420.db2.gz HXPFMPDGUHGSLP-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCCn1ncnc1C[N@H+]1CCC[C@@H](OC)C1 ZINC000447853708 388098425 /nfs/dbraw/zinc/09/84/25/388098425.db2.gz HXPFMPDGUHGSLP-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO C[C@@]1(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1F ZINC000424531501 388098659 /nfs/dbraw/zinc/09/86/59/388098659.db2.gz WFLYVEUGMCNJTG-GXSJLCMTSA-N 1 2 225.267 1.138 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000086927301 388111131 /nfs/dbraw/zinc/11/11/31/388111131.db2.gz NRCVRIWDNYKVHS-BDAKNGLRSA-N 1 2 229.320 1.484 20 0 BDADLO CCCN1CCC[N@H+](C[C@H](F)CC)CC1=O ZINC000440514768 388048466 /nfs/dbraw/zinc/04/84/66/388048466.db2.gz CCFIHIHRORSWGR-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO CCCN1CCC[N@@H+](C[C@H](F)CC)CC1=O ZINC000440514768 388048468 /nfs/dbraw/zinc/04/84/68/388048468.db2.gz CCFIHIHRORSWGR-LLVKDONJSA-N 1 2 230.327 1.679 20 0 BDADLO Cc1ccccc1C1([NH2+]Cc2nnnn2C)CC1 ZINC000645979796 388114131 /nfs/dbraw/zinc/11/41/31/388114131.db2.gz GBIAJVFWXFXVIC-UHFFFAOYSA-N 1 2 243.314 1.297 20 0 BDADLO CC[C@@H](F)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000440522067 388050228 /nfs/dbraw/zinc/05/02/28/388050228.db2.gz DGQKQSWZYAQVSK-NXEZZACHSA-N 1 2 232.343 1.970 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000440522067 388050232 /nfs/dbraw/zinc/05/02/32/388050232.db2.gz DGQKQSWZYAQVSK-NXEZZACHSA-N 1 2 232.343 1.970 20 0 BDADLO COc1nccc(C[N@H+](C)Cc2cccnc2)n1 ZINC000449227080 388159528 /nfs/dbraw/zinc/15/95/28/388159528.db2.gz OFRZCUFTGPJIOT-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1nccc(C[N@@H+](C)Cc2cccnc2)n1 ZINC000449227080 388159530 /nfs/dbraw/zinc/15/95/30/388159530.db2.gz OFRZCUFTGPJIOT-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@@H](C)O ZINC000449270315 388165588 /nfs/dbraw/zinc/16/55/88/388165588.db2.gz QCMHGIIOUTWNDL-IVZWLZJFSA-N 1 2 231.336 1.323 20 0 BDADLO CC[NH+](CC)Cc1noc(C2CCOCC2)n1 ZINC000195514018 388165672 /nfs/dbraw/zinc/16/56/72/388165672.db2.gz JSNAZOWPZOTOAU-UHFFFAOYSA-N 1 2 239.319 1.805 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449283131 388166994 /nfs/dbraw/zinc/16/69/94/388166994.db2.gz KFSJKDUTPKHUQE-IUCAKERBSA-N 1 2 211.261 1.362 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc2cccnc2o1 ZINC000449298413 388168778 /nfs/dbraw/zinc/16/87/78/388168778.db2.gz HPRAFODKYYBJHM-SECBINFHSA-N 1 2 248.282 1.821 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449298413 388168779 /nfs/dbraw/zinc/16/87/79/388168779.db2.gz HPRAFODKYYBJHM-SECBINFHSA-N 1 2 248.282 1.821 20 0 BDADLO C[C@H]1CC=C(C(=O)Nc2cc[nH+]cc2O)CC1 ZINC000456011835 388171203 /nfs/dbraw/zinc/17/12/03/388171203.db2.gz WHKQMYIGTLMSKJ-VIFPVBQESA-N 1 2 232.283 1.894 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260841 388171279 /nfs/dbraw/zinc/17/12/79/388171279.db2.gz LVYVVIRHSPNYDK-VIFPVBQESA-N 1 2 221.304 1.587 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260841 388171281 /nfs/dbraw/zinc/17/12/81/388171281.db2.gz LVYVVIRHSPNYDK-VIFPVBQESA-N 1 2 221.304 1.587 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N2CCc3[nH]c[nH+]c3C2)O1 ZINC000646260758 388171322 /nfs/dbraw/zinc/17/13/22/388171322.db2.gz FWLJDGKYSLLALT-CABZTGNLSA-N 1 2 249.314 1.252 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)O1 ZINC000646260758 388171324 /nfs/dbraw/zinc/17/13/24/388171324.db2.gz FWLJDGKYSLLALT-CABZTGNLSA-N 1 2 249.314 1.252 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccncc1F ZINC000449341938 388176968 /nfs/dbraw/zinc/17/69/68/388176968.db2.gz XQBFNVRGJGDDQW-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccncc1F ZINC000449341938 388176970 /nfs/dbraw/zinc/17/69/70/388176970.db2.gz XQBFNVRGJGDDQW-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO c1n[nH]cc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000646295317 388177624 /nfs/dbraw/zinc/17/76/24/388177624.db2.gz JYFFWYLTBMADLL-STQMWFEESA-N 1 2 233.315 1.553 20 0 BDADLO c1n[nH]cc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000646295317 388177627 /nfs/dbraw/zinc/17/76/27/388177627.db2.gz JYFFWYLTBMADLL-STQMWFEESA-N 1 2 233.315 1.553 20 0 BDADLO CCn1nnc(C)c1C[N@H+](C(C)C)C1COC1 ZINC000449353050 388179874 /nfs/dbraw/zinc/17/98/74/388179874.db2.gz ZUCBYSKDNYKVQT-UHFFFAOYSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nnc(C)c1C[N@@H+](C(C)C)C1COC1 ZINC000449353050 388179875 /nfs/dbraw/zinc/17/98/75/388179875.db2.gz ZUCBYSKDNYKVQT-UHFFFAOYSA-N 1 2 238.335 1.216 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ccnc(OC)n2)o1 ZINC000449372933 388185367 /nfs/dbraw/zinc/18/53/67/388185367.db2.gz ASNAPXWXFRFMHQ-UHFFFAOYSA-N 1 2 247.298 1.930 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1C=CCCC1 ZINC000454664962 388128178 /nfs/dbraw/zinc/12/81/78/388128178.db2.gz LJZLYMLMLQWAKI-LLVKDONJSA-N 1 2 248.330 1.811 20 0 BDADLO CC/C=C\CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000454840669 388135912 /nfs/dbraw/zinc/13/59/12/388135912.db2.gz RRSOBMCXEJXLAG-BYCRGOAPSA-N 1 2 248.330 1.463 20 0 BDADLO Cc1nocc1C[N@H+](C)Cc1cn[nH]c1 ZINC000646087694 388139509 /nfs/dbraw/zinc/13/95/09/388139509.db2.gz AGKPABDQNDSPNF-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1nocc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000646087694 388139510 /nfs/dbraw/zinc/13/95/10/388139510.db2.gz AGKPABDQNDSPNF-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CC[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)[C@@H](C)O ZINC000455043147 388146507 /nfs/dbraw/zinc/14/65/07/388146507.db2.gz PCERWMNDAWAESA-MWLCHTKSSA-N 1 2 237.303 1.093 20 0 BDADLO C[C@H]1COC(C)(C)CN1c1cc(CO)cc[nH+]1 ZINC000641532253 388150953 /nfs/dbraw/zinc/15/09/53/388150953.db2.gz JQEZASZXHZZBEX-JTQLQIEISA-N 1 2 236.315 1.578 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000449392810 388193117 /nfs/dbraw/zinc/19/31/17/388193117.db2.gz LAGQVFLEKBKDKV-VIFPVBQESA-N 1 2 227.235 1.610 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000449392810 388193120 /nfs/dbraw/zinc/19/31/20/388193120.db2.gz LAGQVFLEKBKDKV-VIFPVBQESA-N 1 2 227.235 1.610 20 0 BDADLO CCCN(CC(N)=O)c1[nH+]c2ccccc2n1C ZINC000488750862 388193882 /nfs/dbraw/zinc/19/38/82/388193882.db2.gz UZWLSZJVWUJOIY-UHFFFAOYSA-N 1 2 246.314 1.275 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCCC1(F)CCC1 ZINC000488906616 388198860 /nfs/dbraw/zinc/19/88/60/388198860.db2.gz XZYRITZZCSQEKP-UHFFFAOYSA-N 1 2 239.294 1.659 20 0 BDADLO CC[N@H+](Cc1sc(C)nc1C)C1COC1 ZINC000449422822 388200464 /nfs/dbraw/zinc/20/04/64/388200464.db2.gz FVJFZTAYKLVMQG-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO CC[N@@H+](Cc1sc(C)nc1C)C1COC1 ZINC000449422822 388200467 /nfs/dbraw/zinc/20/04/67/388200467.db2.gz FVJFZTAYKLVMQG-UHFFFAOYSA-N 1 2 226.345 1.981 20 0 BDADLO CCN(C)c1ccc(C[N@H+](CC)C2COC2)cn1 ZINC000449425019 388201983 /nfs/dbraw/zinc/20/19/83/388201983.db2.gz LWGBMASVEZBACG-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CCN(C)c1ccc(C[N@@H+](CC)C2COC2)cn1 ZINC000449425019 388201986 /nfs/dbraw/zinc/20/19/86/388201986.db2.gz LWGBMASVEZBACG-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO Cc1nc(N2CC[C@@H]2C(C)C)nc(N(C)C)[nH+]1 ZINC000450816501 388258859 /nfs/dbraw/zinc/25/88/59/388258859.db2.gz WHOMRULWOLRGGL-SNVBAGLBSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H]2C(C)C)[nH+]1 ZINC000450816501 388258862 /nfs/dbraw/zinc/25/88/62/388258862.db2.gz WHOMRULWOLRGGL-SNVBAGLBSA-N 1 2 235.335 1.481 20 0 BDADLO CCCn1cc(C[N@H+](CC)C2COC2)cn1 ZINC000449429647 388203389 /nfs/dbraw/zinc/20/33/89/388203389.db2.gz XRVGQDOGOFWIHR-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1cc(C[N@@H+](CC)C2COC2)cn1 ZINC000449429647 388203392 /nfs/dbraw/zinc/20/33/92/388203392.db2.gz XRVGQDOGOFWIHR-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1nc(N2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000489494283 388218284 /nfs/dbraw/zinc/21/82/84/388218284.db2.gz HKORBBKWESIJKW-SECBINFHSA-N 1 2 235.335 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCCC[C@H]2C)[nH+]1 ZINC000489494283 388218285 /nfs/dbraw/zinc/21/82/85/388218285.db2.gz HKORBBKWESIJKW-SECBINFHSA-N 1 2 235.335 1.625 20 0 BDADLO CC[C@H](O)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456838126 388226629 /nfs/dbraw/zinc/22/66/29/388226629.db2.gz LGZGBIAAUISWBQ-LBPRGKRZSA-N 1 2 236.315 1.476 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)CC[C@H]1O ZINC000489991923 388230644 /nfs/dbraw/zinc/23/06/44/388230644.db2.gz IOSWEJBNZYNPJD-IINYFYTJSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nc(N2CCC23CCC3)nc(N(C)C)[nH+]1 ZINC000490102858 388235713 /nfs/dbraw/zinc/23/57/13/388235713.db2.gz KPPVNDNYAUGGLR-UHFFFAOYSA-N 1 2 233.319 1.379 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC23CCC3)[nH+]1 ZINC000490102858 388235715 /nfs/dbraw/zinc/23/57/15/388235715.db2.gz KPPVNDNYAUGGLR-UHFFFAOYSA-N 1 2 233.319 1.379 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnn[nH]2)CC1(C)C ZINC000451557502 388281686 /nfs/dbraw/zinc/28/16/86/388281686.db2.gz PIDCZJLVYAFIFI-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnn[nH]2)CC1(C)C ZINC000451557502 388281687 /nfs/dbraw/zinc/28/16/87/388281687.db2.gz PIDCZJLVYAFIFI-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2c[nH]nn2)CC1(C)C ZINC000451557502 388281688 /nfs/dbraw/zinc/28/16/88/388281688.db2.gz PIDCZJLVYAFIFI-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2c[nH]nn2)CC1(C)C ZINC000451557502 388281689 /nfs/dbraw/zinc/28/16/89/388281689.db2.gz PIDCZJLVYAFIFI-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn[nH]n2)CC1(C)C ZINC000451557502 388281690 /nfs/dbraw/zinc/28/16/90/388281690.db2.gz PIDCZJLVYAFIFI-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cn[nH]n2)CC1(C)C ZINC000451557502 388281691 /nfs/dbraw/zinc/28/16/91/388281691.db2.gz PIDCZJLVYAFIFI-SNVBAGLBSA-N 1 2 224.308 1.052 20 0 BDADLO C[C@H]1C[N@H+](CCCc2ccsc2)CC(=O)N1 ZINC000451644663 388286782 /nfs/dbraw/zinc/28/67/82/388286782.db2.gz YNMNCABGJGSMCU-JTQLQIEISA-N 1 2 238.356 1.501 20 0 BDADLO C[C@H]1C[N@@H+](CCCc2ccsc2)CC(=O)N1 ZINC000451644663 388286783 /nfs/dbraw/zinc/28/67/83/388286783.db2.gz YNMNCABGJGSMCU-JTQLQIEISA-N 1 2 238.356 1.501 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)/C=C/c1cscn1 ZINC000491450233 388295332 /nfs/dbraw/zinc/29/53/32/388295332.db2.gz VMPPYWKPWQBWLZ-NSCUHMNNSA-N 1 2 248.311 1.206 20 0 BDADLO COCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451788803 388296716 /nfs/dbraw/zinc/29/67/16/388296716.db2.gz POHYDXIQUSMMDF-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO COCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451788803 388296718 /nfs/dbraw/zinc/29/67/18/388296718.db2.gz POHYDXIQUSMMDF-CYBMUJFWSA-N 1 2 239.290 1.845 20 0 BDADLO CCOCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451853590 388301195 /nfs/dbraw/zinc/30/11/95/388301195.db2.gz PDKONHIIALOQQY-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO CCOCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451853590 388301196 /nfs/dbraw/zinc/30/11/96/388301196.db2.gz PDKONHIIALOQQY-SECBINFHSA-N 1 2 225.279 1.361 20 0 BDADLO CC(C)n1nnnc1C[NH+]1CCC(CF)CC1 ZINC000451388097 388268414 /nfs/dbraw/zinc/26/84/14/388268414.db2.gz ILSYUCYYCWSRTD-UHFFFAOYSA-N 1 2 241.314 1.436 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NCC1CC1 ZINC000492302124 388340973 /nfs/dbraw/zinc/34/09/73/388340973.db2.gz XPTGWRCNJZZXJA-WAYWQWQTSA-N 1 2 219.288 1.442 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1CCOCC(F)F ZINC000516565167 388348669 /nfs/dbraw/zinc/34/86/69/388348669.db2.gz KNUVQTFPDAWKKX-SNVBAGLBSA-N 1 2 236.306 1.294 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1CCOCC(F)F ZINC000516565167 388348672 /nfs/dbraw/zinc/34/86/72/388348672.db2.gz KNUVQTFPDAWKKX-SNVBAGLBSA-N 1 2 236.306 1.294 20 0 BDADLO CCCN(CC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516582959 388358167 /nfs/dbraw/zinc/35/81/67/388358167.db2.gz XOPRGPAERJKYAT-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO CCCN(CC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516582959 388358169 /nfs/dbraw/zinc/35/81/69/388358169.db2.gz XOPRGPAERJKYAT-JTQLQIEISA-N 1 2 223.320 1.847 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](OC(C)C)C2)nc1 ZINC000572599306 388361103 /nfs/dbraw/zinc/36/11/03/388361103.db2.gz YDDJTZABDSCAQY-GFCCVEGCSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](OC(C)C)C2)nc1 ZINC000572599306 388361104 /nfs/dbraw/zinc/36/11/04/388361104.db2.gz YDDJTZABDSCAQY-GFCCVEGCSA-N 1 2 235.331 1.784 20 0 BDADLO C[C@H](CC(=O)NC1CC(C)(F)C1)n1cc[nH+]c1 ZINC000572653354 388363377 /nfs/dbraw/zinc/36/33/77/388363377.db2.gz JHTAXFVPVMVJGQ-GRZMOONWSA-N 1 2 239.294 1.841 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572774043 388375758 /nfs/dbraw/zinc/37/57/58/388375758.db2.gz QSPBFIPFYNCKNK-DTWKUNHWSA-N 1 2 237.303 1.186 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccoc1Cl ZINC000236083989 388377005 /nfs/dbraw/zinc/37/70/05/388377005.db2.gz IVMRQKWFECFVLM-UHFFFAOYSA-N 1 2 239.662 1.597 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(C)(F)F ZINC000293568599 388390668 /nfs/dbraw/zinc/39/06/68/388390668.db2.gz DJFZGHCDVSQCDO-LURJTMIESA-N 1 2 217.219 1.317 20 0 BDADLO COc1cc(C)nc(NCc2[nH+]ccn2C)n1 ZINC000122418517 388391298 /nfs/dbraw/zinc/39/12/98/388391298.db2.gz VYIVHJBHHANQFA-UHFFFAOYSA-N 1 2 233.275 1.139 20 0 BDADLO CCc1nsc(NCCc2cn(C)c[nH+]2)n1 ZINC000313481015 388393240 /nfs/dbraw/zinc/39/32/40/388393240.db2.gz HRPKMWQTRMQCLQ-UHFFFAOYSA-N 1 2 237.332 1.489 20 0 BDADLO CCCc1noc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229575240 388393786 /nfs/dbraw/zinc/39/37/86/388393786.db2.gz IPXQFGPQYIULSK-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1noc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1 ZINC000229575240 388393788 /nfs/dbraw/zinc/39/37/88/388393788.db2.gz IPXQFGPQYIULSK-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H](CNC(=O)/C=C/C1CCC1)Cn1cc[nH+]c1 ZINC000492092782 388334403 /nfs/dbraw/zinc/33/44/03/388334403.db2.gz UYRXOMMKDKZYNT-BTDICHCPSA-N 1 2 247.342 1.992 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000573297465 388440918 /nfs/dbraw/zinc/44/09/18/388440918.db2.gz BPAJYTRXQJLNLJ-WOPDTQHZSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@@H]1C[N@H+](CC2(F)CC2)CC[S@](=O)C1 ZINC000526001503 388453638 /nfs/dbraw/zinc/45/36/38/388453638.db2.gz TXFQYBPPBLONID-OTYXRUKQSA-N 1 2 219.325 1.189 20 0 BDADLO C[C@@H]1C[N@@H+](CC2(F)CC2)CC[S@](=O)C1 ZINC000526001503 388453641 /nfs/dbraw/zinc/45/36/41/388453641.db2.gz TXFQYBPPBLONID-OTYXRUKQSA-N 1 2 219.325 1.189 20 0 BDADLO C[C@H]1CC(C(=O)Nc2ccc(N)[nH+]c2)C[C@H](C)O1 ZINC000649270798 388480954 /nfs/dbraw/zinc/48/09/54/388480954.db2.gz YIKOUKMQLQJPJC-IUCAKERBSA-N 1 2 249.314 1.636 20 0 BDADLO Cc1cc(NC(=O)c2ccncn2)cc[nH+]1 ZINC000074730693 388461831 /nfs/dbraw/zinc/46/18/31/388461831.db2.gz INWJXPKWAWEFMP-UHFFFAOYSA-N 1 2 214.228 1.432 20 0 BDADLO CC[C@@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC000176893116 388465263 /nfs/dbraw/zinc/46/52/63/388465263.db2.gz RHZOSVCYAKIIRR-MRVPVSSYSA-N 1 2 219.292 1.598 20 0 BDADLO C[C@@H](C[NH2+]Cc1ccn[nH]1)c1nccs1 ZINC000134988176 388481357 /nfs/dbraw/zinc/48/13/57/388481357.db2.gz RXYNKQJLCZBDRN-QMMMGPOBSA-N 1 2 222.317 1.760 20 0 BDADLO CN(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000195462360 388472478 /nfs/dbraw/zinc/47/24/78/388472478.db2.gz HRKIUUQDFAQUDE-UHFFFAOYSA-N 1 2 222.292 1.077 20 0 BDADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCC1 ZINC000173617674 388475603 /nfs/dbraw/zinc/47/56/03/388475603.db2.gz GWVDGWWCZYZFES-UHFFFAOYSA-N 1 2 232.287 1.007 20 0 BDADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCC1 ZINC000173617674 388475607 /nfs/dbraw/zinc/47/56/07/388475607.db2.gz GWVDGWWCZYZFES-UHFFFAOYSA-N 1 2 232.287 1.007 20 0 BDADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccncc2)[C@@H](C)C(=O)N1C ZINC000649267264 388477089 /nfs/dbraw/zinc/47/70/89/388477089.db2.gz HPFMBEBTPFZDHZ-WOPDTQHZSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccncc2)[C@@H](C)C(=O)N1C ZINC000649267264 388477093 /nfs/dbraw/zinc/47/70/93/388477093.db2.gz HPFMBEBTPFZDHZ-WOPDTQHZSA-N 1 2 247.342 1.521 20 0 BDADLO C[C@@H]1CC[N@H+](CC[C@H]2CCNC2=O)CC1(F)F ZINC000573102179 388419510 /nfs/dbraw/zinc/41/95/10/388419510.db2.gz SRETZNZVOWYHFP-NXEZZACHSA-N 1 2 246.301 1.490 20 0 BDADLO C[C@@H]1CC[N@@H+](CC[C@H]2CCNC2=O)CC1(F)F ZINC000573102179 388419511 /nfs/dbraw/zinc/41/95/11/388419511.db2.gz SRETZNZVOWYHFP-NXEZZACHSA-N 1 2 246.301 1.490 20 0 BDADLO CC[C@@](C)(C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000322508287 388437152 /nfs/dbraw/zinc/43/71/52/388437152.db2.gz IEJAPBFGWBEFRU-JQWIXIFHSA-N 1 2 229.320 1.343 20 0 BDADLO CC[C@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OC ZINC000322536101 388438404 /nfs/dbraw/zinc/43/84/04/388438404.db2.gz RJIVHPCKBNSMEU-GXSJLCMTSA-N 1 2 217.309 1.343 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000336893256 388439483 /nfs/dbraw/zinc/43/94/83/388439483.db2.gz KNFXRAUCNCGTTC-VHSXEESVSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1[nH]c(CN[C@@H](CCO)c2ccco2)[nH+]c1C ZINC000517176724 388540960 /nfs/dbraw/zinc/54/09/60/388540960.db2.gz QJGVNLCUXVWIII-NSHDSACASA-N 1 2 249.314 1.833 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1C[C@H](O)C1(C)C ZINC000516491805 256778094 /nfs/dbraw/zinc/77/80/94/256778094.db2.gz LUYVBCWCOOGJFK-UWVGGRQHSA-N 1 2 221.304 1.665 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000528529705 388543837 /nfs/dbraw/zinc/54/38/37/388543837.db2.gz ZYVVRJSIIOABCB-ZUYFITGHSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000528529705 388543840 /nfs/dbraw/zinc/54/38/40/388543840.db2.gz ZYVVRJSIIOABCB-ZUYFITGHSA-N 1 2 233.739 1.601 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000548519631 388545757 /nfs/dbraw/zinc/54/57/57/388545757.db2.gz MGJASKOHIOVTKF-QWRGUYRKSA-N 1 2 233.315 1.221 20 0 BDADLO COCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079721719 388545982 /nfs/dbraw/zinc/54/59/82/388545982.db2.gz LHTDATYHJIDEFD-UHFFFAOYSA-N 1 2 237.303 1.147 20 0 BDADLO CCC[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OCC ZINC000356277569 388548490 /nfs/dbraw/zinc/54/84/90/388548490.db2.gz HNIFQMSNABKEND-RYUDHWBXSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)C2)c2[nH+]ccn21 ZINC000648922568 388494908 /nfs/dbraw/zinc/49/49/08/388494908.db2.gz QULHPQDMTLENOQ-YWVKMMECSA-N 1 2 247.298 1.374 20 0 BDADLO O=C(Cc1cccc(O)c1)NCCc1[nH]cc[nH+]1 ZINC000135554535 388500107 /nfs/dbraw/zinc/50/01/07/388500107.db2.gz RYGPNDZZLVWAEB-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO CC(=O)[C@@H](NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C)C(C)C ZINC000548097177 388510743 /nfs/dbraw/zinc/51/07/43/388510743.db2.gz ANZGSUYGLQHSCJ-CWSCBRNRSA-N 1 2 240.347 1.199 20 0 BDADLO CC(=O)[C@@H](NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C)C(C)C ZINC000548097177 388510746 /nfs/dbraw/zinc/51/07/46/388510746.db2.gz ANZGSUYGLQHSCJ-CWSCBRNRSA-N 1 2 240.347 1.199 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cnn(C)c1 ZINC000345346719 388511674 /nfs/dbraw/zinc/51/16/74/388511674.db2.gz CTUJTRLMSYMSNE-SCVCMEIPSA-N 1 2 245.330 1.973 20 0 BDADLO Cc1c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cnn1C ZINC000345355397 388514090 /nfs/dbraw/zinc/51/40/90/388514090.db2.gz LSMVTJJOMWPDBD-JOYOIKCWSA-N 1 2 245.330 1.721 20 0 BDADLO COc1ccc(C[NH2+][C@H]2CCn3ccnc32)cn1 ZINC000345354097 388514196 /nfs/dbraw/zinc/51/41/96/388514196.db2.gz RSRSRCQQWYVWHD-NSHDSACASA-N 1 2 244.298 1.521 20 0 BDADLO COc1cc(NCc2[nH+]ccn2C(C)C)nn1C ZINC000548139776 388516477 /nfs/dbraw/zinc/51/64/77/388516477.db2.gz VVTAXMQNMPKUTR-UHFFFAOYSA-N 1 2 249.318 1.818 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Cc1cc(C)no1 ZINC000516777535 388516811 /nfs/dbraw/zinc/51/68/11/388516811.db2.gz HNDFBDRYLFFPHX-UHFFFAOYSA-N 1 2 248.286 1.058 20 0 BDADLO CS[C@H](CO)[C@@H](C)Nc1nc(C)[nH+]cc1C ZINC000516820645 388518733 /nfs/dbraw/zinc/51/87/33/388518733.db2.gz QONSCWMZZSEFMU-PSASIEDQSA-N 1 2 241.360 1.040 20 0 BDADLO Cc1cccc(NC(=O)Cc2c[nH+]cn2C)n1 ZINC000548191816 388520789 /nfs/dbraw/zinc/52/07/89/388520789.db2.gz ZSGLPBZXWOFPNX-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO CC[C@H](C)[N@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528416911 388522312 /nfs/dbraw/zinc/52/23/12/388522312.db2.gz QNURAAKVISEDQW-VIFPVBQESA-N 1 2 245.344 1.913 20 0 BDADLO CC[C@H](C)[N@@H+](C)Cc1coc(S(C)(=O)=O)c1 ZINC000528416911 388522314 /nfs/dbraw/zinc/52/23/14/388522314.db2.gz QNURAAKVISEDQW-VIFPVBQESA-N 1 2 245.344 1.913 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C=CCCC1 ZINC000548257733 388523195 /nfs/dbraw/zinc/52/31/95/388523195.db2.gz MICTXIHONAJRKC-JTQLQIEISA-N 1 2 219.288 1.188 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)s2)C[C@@H]1O ZINC000528433073 388524379 /nfs/dbraw/zinc/52/43/79/388524379.db2.gz XFCDFCZPFHGMHG-APPZFPTMSA-N 1 2 239.344 1.228 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)s2)C[C@@H]1O ZINC000528433073 388524383 /nfs/dbraw/zinc/52/43/83/388524383.db2.gz XFCDFCZPFHGMHG-APPZFPTMSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1nc(C[N@@H+](C)C2CCC(CO)CC2)no1 ZINC000136142712 388524798 /nfs/dbraw/zinc/52/47/98/388524798.db2.gz MWVDFYHNOAVGHL-UHFFFAOYSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@H+](C)C2CCC(CO)CC2)no1 ZINC000136142712 388524799 /nfs/dbraw/zinc/52/47/99/388524799.db2.gz MWVDFYHNOAVGHL-UHFFFAOYSA-N 1 2 239.319 1.361 20 0 BDADLO COC(=O)[C@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000348173767 388526725 /nfs/dbraw/zinc/52/67/25/388526725.db2.gz WEAKGPZHTSCCJA-UWVGGRQHSA-N 1 2 220.272 1.835 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]Cc2ccncc2C)n1 ZINC000528446628 388527537 /nfs/dbraw/zinc/52/75/37/388527537.db2.gz BSEMTUYOWKGVPY-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000528453481 388528316 /nfs/dbraw/zinc/52/83/16/388528316.db2.gz OGFKLFODONGZCQ-IADHUWGXSA-N 1 2 231.723 1.620 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000528453481 388528318 /nfs/dbraw/zinc/52/83/18/388528318.db2.gz OGFKLFODONGZCQ-IADHUWGXSA-N 1 2 231.723 1.620 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000516965368 388528855 /nfs/dbraw/zinc/52/88/55/388528855.db2.gz YVFKWNOOKTXUJD-VIFPVBQESA-N 1 2 237.303 1.494 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000528474512 388531333 /nfs/dbraw/zinc/53/13/33/388531333.db2.gz PNYWKFMGAWVVMV-FGUAACIASA-N 1 2 244.766 1.976 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000528474512 388531335 /nfs/dbraw/zinc/53/13/35/388531335.db2.gz PNYWKFMGAWVVMV-FGUAACIASA-N 1 2 244.766 1.976 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCC12CC2 ZINC000528479342 388532539 /nfs/dbraw/zinc/53/25/39/388532539.db2.gz WKNZTMFERHAVDU-SNVBAGLBSA-N 1 2 233.315 1.948 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000517028741 388533234 /nfs/dbraw/zinc/53/32/34/388533234.db2.gz MODGMLKVAOGRDE-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)n1 ZINC000517028741 388533236 /nfs/dbraw/zinc/53/32/36/388533236.db2.gz MODGMLKVAOGRDE-LBPRGKRZSA-N 1 2 247.342 1.928 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351810929 388534163 /nfs/dbraw/zinc/53/41/63/388534163.db2.gz OHCRZNCSOQADPC-DTWKUNHWSA-N 1 2 225.292 1.006 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](C)[C@H](O)C2)no1 ZINC000351810929 388534164 /nfs/dbraw/zinc/53/41/64/388534164.db2.gz OHCRZNCSOQADPC-DTWKUNHWSA-N 1 2 225.292 1.006 20 0 BDADLO C[C@@H](CC(=O)N1CCC[C@H]1C)n1cc[nH+]c1 ZINC000517034185 388534412 /nfs/dbraw/zinc/53/44/12/388534412.db2.gz UYTMXDNGQWPVNN-MNOVXSKESA-N 1 2 221.304 1.845 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548410649 388535247 /nfs/dbraw/zinc/53/52/47/388535247.db2.gz GGQLCTDEYPXZLB-KXUCPTDWSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000548410649 388535249 /nfs/dbraw/zinc/53/52/49/388535249.db2.gz GGQLCTDEYPXZLB-KXUCPTDWSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)CC(F)F ZINC000648960977 388587207 /nfs/dbraw/zinc/58/72/07/388587207.db2.gz RXFWKSLBYQJKPK-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NCC3COC3)ccn12 ZINC000530119147 388611962 /nfs/dbraw/zinc/61/19/62/388611962.db2.gz ASLXVXAIBMCRNQ-UHFFFAOYSA-N 1 2 245.282 1.019 20 0 BDADLO COC(=O)c1cc(CNc2c[nH]c[nH+]2)oc1C ZINC000550954408 388618258 /nfs/dbraw/zinc/61/82/58/388618258.db2.gz QFEFJOFQGNQXBM-UHFFFAOYSA-N 1 2 235.243 1.710 20 0 BDADLO COCc1noc(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000548754921 388557234 /nfs/dbraw/zinc/55/72/34/388557234.db2.gz YESLOKQIVDSDKZ-HTQZYQBOSA-N 1 2 211.265 1.199 20 0 BDADLO CCCCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000364028166 388564048 /nfs/dbraw/zinc/56/40/48/388564048.db2.gz GIKCOQZYROEMEP-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO CC(=O)CC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738859 388565065 /nfs/dbraw/zinc/56/50/65/388565065.db2.gz NUPHJRUKEATTFJ-UHFFFAOYSA-N 1 2 245.326 1.691 20 0 BDADLO CC(=O)CC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738859 388565066 /nfs/dbraw/zinc/56/50/66/388565066.db2.gz NUPHJRUKEATTFJ-UHFFFAOYSA-N 1 2 245.326 1.691 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528766068 388568714 /nfs/dbraw/zinc/56/87/14/388568714.db2.gz CFZDEAFHGNFCMC-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528766068 388568717 /nfs/dbraw/zinc/56/87/17/388568717.db2.gz CFZDEAFHGNFCMC-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)[nH]1 ZINC000528775355 388571090 /nfs/dbraw/zinc/57/10/90/388571090.db2.gz XOOCGMBOYZTZKW-QMMMGPOBSA-N 1 2 244.289 1.987 20 0 BDADLO CCc1nnc(C[N@H+]2CCC(F)(F)C[C@@H]2C)[nH]1 ZINC000528775355 388571093 /nfs/dbraw/zinc/57/10/93/388571093.db2.gz XOOCGMBOYZTZKW-QMMMGPOBSA-N 1 2 244.289 1.987 20 0 BDADLO CC(F)(F)CNc1nc(N)c2ccccc2[nH+]1 ZINC000549193391 388574290 /nfs/dbraw/zinc/57/42/90/388574290.db2.gz ZTUCYCBPFPQQFA-UHFFFAOYSA-N 1 2 238.241 1.531 20 0 BDADLO CC[C@H](Nc1[nH+]c2ccccc2n1C)[C@H](C)O ZINC000386746707 388576613 /nfs/dbraw/zinc/57/66/13/388576613.db2.gz ZUFFWQYTDUTDEC-UWVGGRQHSA-N 1 2 233.315 1.567 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000184512350 388579929 /nfs/dbraw/zinc/57/99/29/388579929.db2.gz QWYVXXNNGXVLSC-JTQLQIEISA-N 1 2 235.287 1.226 20 0 BDADLO Cn1cc[nH+]c1CN[C@@H](CCO)c1ccco1 ZINC000184512350 388579930 /nfs/dbraw/zinc/57/99/30/388579930.db2.gz QWYVXXNNGXVLSC-JTQLQIEISA-N 1 2 235.287 1.226 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000528914099 388582890 /nfs/dbraw/zinc/58/28/90/388582890.db2.gz GLAACVJKPDSOCB-QILRFPOHSA-N 1 2 232.283 1.440 20 0 BDADLO Cn1cc[nH+]c1CSCC(=O)OC(C)(C)C ZINC000185088767 388585089 /nfs/dbraw/zinc/58/50/89/388585089.db2.gz PGOCXTIPTFNMMO-UHFFFAOYSA-N 1 2 242.344 1.995 20 0 BDADLO CC[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000125687637 388674171 /nfs/dbraw/zinc/67/41/71/388674171.db2.gz WEEZHNAUTNYFBT-JTQLQIEISA-N 1 2 246.314 1.255 20 0 BDADLO CC[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000125687637 388674173 /nfs/dbraw/zinc/67/41/73/388674173.db2.gz WEEZHNAUTNYFBT-JTQLQIEISA-N 1 2 246.314 1.255 20 0 BDADLO CCC(CC)C(=O)NCc1c[nH+]c(C)nc1N ZINC000552183912 388677703 /nfs/dbraw/zinc/67/77/03/388677703.db2.gz JDILHDBASRIRLW-UHFFFAOYSA-N 1 2 236.319 1.250 20 0 BDADLO Cc1nc(N)c(CNC(=O)CC(C)(C)C)c[nH+]1 ZINC000552188525 388678256 /nfs/dbraw/zinc/67/82/56/388678256.db2.gz GAUVRZWFLGHWFT-UHFFFAOYSA-N 1 2 236.319 1.250 20 0 BDADLO Cc1cnc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC000248502478 388682131 /nfs/dbraw/zinc/68/21/31/388682131.db2.gz UHQHQGKYZWAAJU-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cnc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)o1 ZINC000248502478 388682132 /nfs/dbraw/zinc/68/21/32/388682132.db2.gz UHQHQGKYZWAAJU-VXJOIVPMSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)CSC(C)C ZINC000522075313 388683796 /nfs/dbraw/zinc/68/37/96/388683796.db2.gz HZDWIMSADOZGIJ-UHFFFAOYSA-N 1 2 224.329 1.892 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000139208090 388631066 /nfs/dbraw/zinc/63/10/66/388631066.db2.gz HBNZLGFJRGZREE-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000139208090 388631069 /nfs/dbraw/zinc/63/10/69/388631069.db2.gz HBNZLGFJRGZREE-RYUDHWBXSA-N 1 2 245.326 1.944 20 0 BDADLO NC(=O)c1coc(C[NH2+]Cc2ccccc2F)c1 ZINC000189401120 388633920 /nfs/dbraw/zinc/63/39/20/388633920.db2.gz PMCMSXDQCAFIRI-UHFFFAOYSA-N 1 2 248.257 1.807 20 0 BDADLO O=C1C[N@H+](Cc2cccnc2)[C@@H]2CCCC[C@H]2N1 ZINC000246506415 388640406 /nfs/dbraw/zinc/64/04/06/388640406.db2.gz HVEVPGFPYWKUJJ-CHWSQXEVSA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2cccnc2)[C@@H]2CCCC[C@H]2N1 ZINC000246506415 388640409 /nfs/dbraw/zinc/64/04/09/388640409.db2.gz HVEVPGFPYWKUJJ-CHWSQXEVSA-N 1 2 245.326 1.325 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000301659340 388659269 /nfs/dbraw/zinc/65/92/69/388659269.db2.gz MDLHAIUPCILTCR-SNVBAGLBSA-N 1 2 205.261 1.114 20 0 BDADLO CCCC[N@H+](CCO)Cc1csnn1 ZINC000128016431 388737025 /nfs/dbraw/zinc/73/70/25/388737025.db2.gz HSVYKVSKLRLYJX-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO CCCC[N@@H+](CCO)Cc1csnn1 ZINC000128016431 388737028 /nfs/dbraw/zinc/73/70/28/388737028.db2.gz HSVYKVSKLRLYJX-UHFFFAOYSA-N 1 2 215.322 1.133 20 0 BDADLO CC1(C)C[N@H+](Cc2csnn2)CCS1 ZINC000128089321 388738047 /nfs/dbraw/zinc/73/80/47/388738047.db2.gz XHPWFYDFRWHNLF-UHFFFAOYSA-N 1 2 229.374 1.866 20 0 BDADLO CC1(C)C[N@@H+](Cc2csnn2)CCS1 ZINC000128089321 388738051 /nfs/dbraw/zinc/73/80/51/388738051.db2.gz XHPWFYDFRWHNLF-UHFFFAOYSA-N 1 2 229.374 1.866 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)C(=O)OCC ZINC000251352407 388747448 /nfs/dbraw/zinc/74/74/48/388747448.db2.gz QUYMEAWKDWCRPJ-GRYCIOLGSA-N 1 2 243.347 1.875 20 0 BDADLO CCCCOCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000227769439 388757738 /nfs/dbraw/zinc/75/77/38/388757738.db2.gz PLSHARGXEQPOBZ-LLVKDONJSA-N 1 2 229.320 1.344 20 0 BDADLO CO[C@H]1C[N@H+](Cc2noc(C)n2)CC[C@@H]1C ZINC000251993099 388757799 /nfs/dbraw/zinc/75/77/99/388757799.db2.gz WCFTUSJXDCSILG-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2noc(C)n2)CC[C@@H]1C ZINC000251993099 388757802 /nfs/dbraw/zinc/75/78/02/388757802.db2.gz WCFTUSJXDCSILG-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(C)(C)C ZINC000522346629 388752333 /nfs/dbraw/zinc/75/23/33/388752333.db2.gz YYVDTUUPALPNJW-JTQLQIEISA-N 1 2 235.331 1.949 20 0 BDADLO CCn1cc(C[NH+](C)Cc2cnn(CC)c2)cn1 ZINC000538727973 388713009 /nfs/dbraw/zinc/71/30/09/388713009.db2.gz LWGCGINHUMBVCO-UHFFFAOYSA-N 1 2 247.346 1.751 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249383699 388719802 /nfs/dbraw/zinc/71/98/02/388719802.db2.gz QUMDCUFKYWOFNV-UTUOFQBUSA-N 1 2 236.315 1.224 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249383699 388719805 /nfs/dbraw/zinc/71/98/05/388719805.db2.gz QUMDCUFKYWOFNV-UTUOFQBUSA-N 1 2 236.315 1.224 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249410967 388720675 /nfs/dbraw/zinc/72/06/75/388720675.db2.gz XZFYZYXNBLDMEW-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249410967 388720677 /nfs/dbraw/zinc/72/06/77/388720677.db2.gz XZFYZYXNBLDMEW-KWQFWETISA-N 1 2 237.303 1.069 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249495594 388724296 /nfs/dbraw/zinc/72/42/96/388724296.db2.gz WAIHDTRKPQWLNB-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249495594 388724298 /nfs/dbraw/zinc/72/42/98/388724298.db2.gz WAIHDTRKPQWLNB-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(C)cc1 ZINC000194289887 388727880 /nfs/dbraw/zinc/72/78/80/388727880.db2.gz JIILHSSAWHSYEX-GFCCVEGCSA-N 1 2 245.330 1.759 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000067226928 388731249 /nfs/dbraw/zinc/73/12/49/388731249.db2.gz VPZXWDMOJLLIKR-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCC[C@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000067226928 388731251 /nfs/dbraw/zinc/73/12/51/388731251.db2.gz VPZXWDMOJLLIKR-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523052656 388793301 /nfs/dbraw/zinc/79/33/01/388793301.db2.gz FHHAEDUVIQVEEM-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523052656 388793305 /nfs/dbraw/zinc/79/33/05/388793305.db2.gz FHHAEDUVIQVEEM-GFCCVEGCSA-N 1 2 242.363 1.404 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c(C)c[nH+]1 ZINC000540948931 388829391 /nfs/dbraw/zinc/82/93/91/388829391.db2.gz GXFMXPJMXBGXNF-RAIGVLPGSA-N 1 2 246.310 1.484 20 0 BDADLO CC[N@H+](Cc1nnnn1C)Cc1ccc(C)cc1 ZINC000523692127 388852496 /nfs/dbraw/zinc/85/24/96/388852496.db2.gz GYRJOEMNTSDLRQ-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[N@@H+](Cc1nnnn1C)Cc1ccc(C)cc1 ZINC000523692127 388852497 /nfs/dbraw/zinc/85/24/97/388852497.db2.gz GYRJOEMNTSDLRQ-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000555646091 388858683 /nfs/dbraw/zinc/85/86/83/388858683.db2.gz LHJLDTGOBIVHOT-WOPDTQHZSA-N 1 2 242.363 1.400 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000555646091 388858685 /nfs/dbraw/zinc/85/86/85/388858685.db2.gz LHJLDTGOBIVHOT-WOPDTQHZSA-N 1 2 242.363 1.400 20 0 BDADLO CCCc1nc(C[NH2+][C@@H](COC)C(C)C)no1 ZINC000541596123 388860396 /nfs/dbraw/zinc/86/03/96/388860396.db2.gz IBHUTHIOALNPSM-JTQLQIEISA-N 1 2 241.335 1.783 20 0 BDADLO COCC[N@@H+](Cc1cc[nH]n1)Cc1ccc(C)o1 ZINC000093707305 388849142 /nfs/dbraw/zinc/84/91/42/388849142.db2.gz BLQWETNOZMYASV-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO COCC[N@H+](Cc1cc[nH]n1)Cc1ccc(C)o1 ZINC000093707305 388849146 /nfs/dbraw/zinc/84/91/46/388849146.db2.gz BLQWETNOZMYASV-UHFFFAOYSA-N 1 2 249.314 1.960 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649166344 388886156 /nfs/dbraw/zinc/88/61/56/388886156.db2.gz CCTZYFKCTXEZOP-GARJFASQSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649166344 388886158 /nfs/dbraw/zinc/88/61/58/388886158.db2.gz CCTZYFKCTXEZOP-GARJFASQSA-N 1 2 233.315 1.565 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCS[C@@H]1C ZINC000649173123 388890151 /nfs/dbraw/zinc/89/01/51/388890151.db2.gz OLWYVGMAIHTGNE-BDAKNGLRSA-N 1 2 239.344 1.271 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCS[C@@H]1C ZINC000649173123 388890154 /nfs/dbraw/zinc/89/01/54/388890154.db2.gz OLWYVGMAIHTGNE-BDAKNGLRSA-N 1 2 239.344 1.271 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCS[C@H]2C)c[nH+]1 ZINC000649174506 388891478 /nfs/dbraw/zinc/89/14/78/388891478.db2.gz IEECUDVBBPMMNS-XPUUQOCRSA-N 1 2 225.317 1.342 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)Nc1cccnc1 ZINC000153023848 388921139 /nfs/dbraw/zinc/92/11/39/388921139.db2.gz MYMLWTQDSIGVAS-UHFFFAOYSA-N 1 2 245.286 1.179 20 0 BDADLO CC[C@](C)(CO)C(=O)Nc1c[nH+]ccc1OC ZINC000565179088 388922431 /nfs/dbraw/zinc/92/24/31/388922431.db2.gz DKRXAOFVDURKNM-GFCCVEGCSA-N 1 2 238.287 1.437 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@H](C)[S@@](C)=O ZINC000565229563 388929483 /nfs/dbraw/zinc/92/94/83/388929483.db2.gz SCPSGWLADUTYNR-XXFAHNHDSA-N 1 2 241.360 1.084 20 0 BDADLO CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1c[nH+]cn1C ZINC000565721687 388965687 /nfs/dbraw/zinc/96/56/87/388965687.db2.gz RZTLJSNAWYKVJZ-LLVKDONJSA-N 1 2 239.319 1.351 20 0 BDADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)n(C)n1 ZINC000565776758 388969083 /nfs/dbraw/zinc/96/90/83/388969083.db2.gz GLCXJYASWKLHML-JTQLQIEISA-N 1 2 247.302 1.515 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H](C)S1(=O)=O ZINC000290642943 132217370 /nfs/dbraw/zinc/21/73/70/132217370.db2.gz FXUBAIZKLQLBHE-AOOOYVTPSA-N 1 2 240.328 1.093 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CC1(C)C ZINC000566020234 388983669 /nfs/dbraw/zinc/98/36/69/388983669.db2.gz JNIAAQQVCNAVLO-SNVBAGLBSA-N 1 2 205.305 1.973 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@H](OC)C1CC1 ZINC000566095817 388987586 /nfs/dbraw/zinc/98/75/86/388987586.db2.gz UVZMACQIXLDJJF-JTQLQIEISA-N 1 2 247.302 1.293 20 0 BDADLO Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000301793409 132257872 /nfs/dbraw/zinc/25/78/72/132257872.db2.gz SCPAQJOLSHKHPO-WDEREUQCSA-N 1 2 221.304 1.382 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCC2)s1 ZINC000273405517 389041302 /nfs/dbraw/zinc/04/13/02/389041302.db2.gz RSGCOWHIMANQAL-SECBINFHSA-N 1 2 239.344 1.334 20 0 BDADLO C(=C/c1ccccc1)\C[N@@H+]1CCn2ncnc2C1 ZINC000336067501 533352873 /nfs/dbraw/zinc/35/28/73/533352873.db2.gz UBFUHUFYXAMQRX-QPJJXVBHSA-N 1 2 240.310 1.807 20 0 BDADLO C(=C/c1ccccc1)\C[N@H+]1CCn2ncnc2C1 ZINC000336067501 533352879 /nfs/dbraw/zinc/35/28/79/533352879.db2.gz UBFUHUFYXAMQRX-QPJJXVBHSA-N 1 2 240.310 1.807 20 0 BDADLO CO[C@]1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492811609 533362201 /nfs/dbraw/zinc/36/22/01/533362201.db2.gz KTJBSCLRLLRCAJ-DSYXLKISSA-N 1 2 249.314 1.450 20 0 BDADLO CO[C@@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493326299 533379695 /nfs/dbraw/zinc/37/96/95/533379695.db2.gz SQDSCAUEMNQSCF-ORAHPGNNSA-N 1 2 235.287 1.060 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493859162 533425218 /nfs/dbraw/zinc/42/52/18/533425218.db2.gz QCOVQFHXJLFQCO-NUNSBDKSSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H]1CO ZINC000493189737 533637230 /nfs/dbraw/zinc/63/72/30/533637230.db2.gz MWEFATTXIXODAI-XKFHPXPTSA-N 1 2 249.314 1.042 20 0 BDADLO c1cc(C[NH2+]Cc2cccc3c2OCCO3)n[nH]1 ZINC000041015035 322834089 /nfs/dbraw/zinc/83/40/89/322834089.db2.gz SMSVIXDGTAADCW-UHFFFAOYSA-N 1 2 245.282 1.471 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000264689272 132179106 /nfs/dbraw/zinc/17/91/06/132179106.db2.gz YUDLMJCYUHQSAG-SECBINFHSA-N 1 2 219.288 1.579 20 0 BDADLO COCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000266135887 132184633 /nfs/dbraw/zinc/18/46/33/132184633.db2.gz PINLMVYXVHTBLJ-UHFFFAOYSA-N 1 2 221.304 1.648 20 0 BDADLO Cc1nc(N2C[C@@H](C)OC[C@H]2C)cc[nH+]1 ZINC000266194721 132185037 /nfs/dbraw/zinc/18/50/37/132185037.db2.gz CEWSDKJEIYKGRO-RKDXNWHRSA-N 1 2 207.277 1.399 20 0 BDADLO Cc1cnc(N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000270340058 132196626 /nfs/dbraw/zinc/19/66/26/132196626.db2.gz ZHUBOMAQVPFPFW-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO c1ccc(N2CCO[C@@H]3CCC[C@H]32)[nH+]c1 ZINC000271638588 132199677 /nfs/dbraw/zinc/19/96/77/132199677.db2.gz PGKFIJUZDKNTJI-GHMZBOCLSA-N 1 2 204.273 1.839 20 0 BDADLO c1nc(N2CCOCC2)cc(NCCC2CC2)[nH+]1 ZINC000277784800 132207211 /nfs/dbraw/zinc/20/72/11/132207211.db2.gz MHGKKMLBGDYTGU-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO c1nc(NCCC2CC2)cc(N2CCOCC2)[nH+]1 ZINC000277784800 132207214 /nfs/dbraw/zinc/20/72/14/132207214.db2.gz MHGKKMLBGDYTGU-UHFFFAOYSA-N 1 2 248.330 1.525 20 0 BDADLO C[C@H]1OCC[C@]12CN(c1cccc[nH+]1)C[C@@H](C)O2 ZINC000279413353 132209050 /nfs/dbraw/zinc/20/90/50/132209050.db2.gz JRHVQDQJCFDDKN-BZPMIXESSA-N 1 2 248.326 1.854 20 0 BDADLO CO[C@H]1CCN(c2cc[nH+]c(C)n2)[C@H](C)C1 ZINC000281693646 132211652 /nfs/dbraw/zinc/21/16/52/132211652.db2.gz SAEBXGQWTSMLKR-KOLCDFICSA-N 1 2 221.304 1.789 20 0 BDADLO NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000298577088 132222516 /nfs/dbraw/zinc/22/25/16/132222516.db2.gz SMWUBMLYUGASKI-UHFFFAOYSA-N 1 2 234.303 1.240 20 0 BDADLO CC1=CCCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000298795941 132222788 /nfs/dbraw/zinc/22/27/88/132222788.db2.gz FDVSIGRPSGHUCD-LLVKDONJSA-N 1 2 248.330 1.426 20 0 BDADLO CC1=CCCN(c2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000298795941 132222790 /nfs/dbraw/zinc/22/27/90/132222790.db2.gz FDVSIGRPSGHUCD-LLVKDONJSA-N 1 2 248.330 1.426 20 0 BDADLO C[C@H](O)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000120143851 132223452 /nfs/dbraw/zinc/22/34/52/132223452.db2.gz LXQJTJGHYZMVPY-CMPLNLGQSA-N 1 2 247.342 1.951 20 0 BDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H](C)[S@@]1=O ZINC000336463946 132247730 /nfs/dbraw/zinc/24/77/30/132247730.db2.gz TXPJQQZIHFRFHB-KEODLESXSA-N 1 2 224.329 1.427 20 0 BDADLO CC[C@H]1CN(c2cc(C)[nH+]cn2)C[C@H](C)O1 ZINC000301233547 132252125 /nfs/dbraw/zinc/25/21/25/132252125.db2.gz GNQFBLYAUYHVFA-QWRGUYRKSA-N 1 2 221.304 1.789 20 0 BDADLO CCC[C@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000301830725 132258313 /nfs/dbraw/zinc/25/83/13/132258313.db2.gz HWCZTZMFQLSNBY-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO CO[C@H]1CN(c2cccc[nH+]2)CC[C@H]1C ZINC000302556014 132264254 /nfs/dbraw/zinc/26/42/54/132264254.db2.gz LMWBXRSHIOUHFA-MNOVXSKESA-N 1 2 206.289 1.943 20 0 BDADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000110202319 132267775 /nfs/dbraw/zinc/26/77/75/132267775.db2.gz XWICIEJKAAJKSQ-UHFFFAOYSA-N 1 2 233.315 1.969 20 0 BDADLO c1ccc(N2CCC(O[C@@H]3CCOC3)CC2)[nH+]c1 ZINC000359029510 132275880 /nfs/dbraw/zinc/27/58/80/132275880.db2.gz LJBRWJAKKSDURO-CYBMUJFWSA-N 1 2 248.326 1.856 20 0 BDADLO Cc1cc(N2C[C@@H](C3CC3)O[C@@H](C)C2)nc[nH+]1 ZINC000359736214 132277408 /nfs/dbraw/zinc/27/74/08/132277408.db2.gz NXRDCBZJQIADPG-JQWIXIFHSA-N 1 2 233.315 1.789 20 0 BDADLO CC[C@@H]1CN(c2cccc[nH+]2)C[C@@]2(CCOC2)O1 ZINC000373650043 132286441 /nfs/dbraw/zinc/28/64/41/132286441.db2.gz XBQQAYNRWMRDOL-TZMCWYRMSA-N 1 2 248.326 1.856 20 0 BDADLO Cc1cc(N2CC[C@H](O)C(C)(C)C2)nc[nH+]1 ZINC000303797104 132286927 /nfs/dbraw/zinc/28/69/27/132286927.db2.gz HZQJKJAHRYPVGS-JTQLQIEISA-N 1 2 221.304 1.382 20 0 BDADLO O=C1NC[C@@]2(CCCN(c3cccc[nH+]3)C2)O1 ZINC000375563390 132288389 /nfs/dbraw/zinc/28/83/89/132288389.db2.gz GFXDKTGCHCWJCM-GFCCVEGCSA-N 1 2 233.271 1.160 20 0 BDADLO Cc1cc(N2CCC(CCCO)CC2)nc[nH+]1 ZINC000360170776 132311727 /nfs/dbraw/zinc/31/17/27/132311727.db2.gz KRXPIYHMGISTPG-UHFFFAOYSA-N 1 2 235.331 1.774 20 0 BDADLO CCCNC(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000042678134 132352649 /nfs/dbraw/zinc/35/26/49/132352649.db2.gz MIBUZLSRFCCWQM-UHFFFAOYSA-N 1 2 247.342 1.824 20 0 BDADLO CCOC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000054614209 132364796 /nfs/dbraw/zinc/36/47/96/132364796.db2.gz PJPCQUJFKMIRRY-NSHDSACASA-N 1 2 234.299 1.861 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@H](CF)C2)no1 ZINC000334648412 133723681 /nfs/dbraw/zinc/72/36/81/133723681.db2.gz XOKAJUYVYWLFCS-LLVKDONJSA-N 1 2 228.267 1.543 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@H](CF)C2)no1 ZINC000334648412 133723682 /nfs/dbraw/zinc/72/36/82/133723682.db2.gz XOKAJUYVYWLFCS-LLVKDONJSA-N 1 2 228.267 1.543 20 0 BDADLO CS[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335765003 133896633 /nfs/dbraw/zinc/89/66/33/133896633.db2.gz JULMVSCOLWUEFY-DTWKUNHWSA-N 1 2 239.344 1.066 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000335926512 134008962 /nfs/dbraw/zinc/00/89/62/134008962.db2.gz GESAEIVZPZBRCU-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000335926512 134008963 /nfs/dbraw/zinc/00/89/63/134008963.db2.gz GESAEIVZPZBRCU-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)nc1 ZINC000335926192 134009258 /nfs/dbraw/zinc/00/92/58/134009258.db2.gz BUFARPKKRRPQQS-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)nc1 ZINC000335926192 134009259 /nfs/dbraw/zinc/00/92/59/134009259.db2.gz BUFARPKKRRPQQS-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO COc1ccccc1C[N@@H+]1CCn2ncnc2C1 ZINC000351929015 134009415 /nfs/dbraw/zinc/00/94/15/134009415.db2.gz IQIGHBMBGZUZGJ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1ccccc1C[N@H+]1CCn2ncnc2C1 ZINC000351929015 134009416 /nfs/dbraw/zinc/00/94/16/134009416.db2.gz IQIGHBMBGZUZGJ-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cccc3nccn32)C1 ZINC000335929107 134009976 /nfs/dbraw/zinc/00/99/76/134009976.db2.gz DSZMJTQGZOKBKZ-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000335929107 134009977 /nfs/dbraw/zinc/00/99/77/134009977.db2.gz DSZMJTQGZOKBKZ-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000335929107 134009978 /nfs/dbraw/zinc/00/99/78/134009978.db2.gz DSZMJTQGZOKBKZ-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO COCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351936174 134014880 /nfs/dbraw/zinc/01/48/80/134014880.db2.gz KMSQEMBLEMTNET-UHFFFAOYSA-N 1 2 223.276 1.466 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@](C)(F)C2)cc[nH+]1 ZINC000335940776 134017206 /nfs/dbraw/zinc/01/72/06/134017206.db2.gz PWCVQNGKQXETNY-GFCCVEGCSA-N 1 2 237.278 1.778 20 0 BDADLO Cc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)C2)c1 ZINC000335945239 134020011 /nfs/dbraw/zinc/02/00/11/134020011.db2.gz NKBWNMRGRHPHSS-LRDDRELGSA-N 1 2 237.368 1.948 20 0 BDADLO Cc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)C2)c1 ZINC000335945239 134020012 /nfs/dbraw/zinc/02/00/12/134020012.db2.gz NKBWNMRGRHPHSS-LRDDRELGSA-N 1 2 237.368 1.948 20 0 BDADLO c1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n[nH]1 ZINC000335960140 134026657 /nfs/dbraw/zinc/02/66/57/134026657.db2.gz ATZSCDRPMNIBEA-QWHCGFSZSA-N 1 2 233.315 1.553 20 0 BDADLO c1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n[nH]1 ZINC000335960140 134026658 /nfs/dbraw/zinc/02/66/58/134026658.db2.gz ATZSCDRPMNIBEA-QWHCGFSZSA-N 1 2 233.315 1.553 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336022129 134055831 /nfs/dbraw/zinc/05/58/31/134055831.db2.gz AHSBAEPOFSHSKE-BDAKNGLRSA-N 1 2 236.319 1.365 20 0 BDADLO CC[C@@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336022129 134055832 /nfs/dbraw/zinc/05/58/32/134055832.db2.gz AHSBAEPOFSHSKE-BDAKNGLRSA-N 1 2 236.319 1.365 20 0 BDADLO O=C(Cc1ccoc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336026225 134057384 /nfs/dbraw/zinc/05/73/84/134057384.db2.gz CGIWLDXEZSCAMY-SNVBAGLBSA-N 1 2 245.282 1.219 20 0 BDADLO O=C(Cc1ccoc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336026225 134057385 /nfs/dbraw/zinc/05/73/85/134057385.db2.gz CGIWLDXEZSCAMY-SNVBAGLBSA-N 1 2 245.282 1.219 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)no1 ZINC000336056765 134066729 /nfs/dbraw/zinc/06/67/29/134066729.db2.gz BZKNNDKHLKBPGS-MFKMUULPSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)no1 ZINC000336056765 134066730 /nfs/dbraw/zinc/06/67/30/134066730.db2.gz BZKNNDKHLKBPGS-MFKMUULPSA-N 1 2 236.315 1.982 20 0 BDADLO C[C@@H](C(=O)NCCC1(C)CC1)[NH+]1CCOCC1 ZINC000352110234 134067989 /nfs/dbraw/zinc/06/79/89/134067989.db2.gz BFJVWMGWEYDVKD-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO Cc1ccc2c(c1)CC[N@@H+](Cc1ncnn1C)C2 ZINC000336085665 134076538 /nfs/dbraw/zinc/07/65/38/134076538.db2.gz FLVWKZFQSGLTLK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1ccc2c(c1)CC[N@H+](Cc1ncnn1C)C2 ZINC000336085665 134076539 /nfs/dbraw/zinc/07/65/39/134076539.db2.gz FLVWKZFQSGLTLK-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1noc(C)c1CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000336126587 134092917 /nfs/dbraw/zinc/09/29/17/134092917.db2.gz WEEPONHCCXZSSH-VIFPVBQESA-N 1 2 236.315 1.745 20 0 BDADLO Cc1noc(C)c1CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000336126587 134092918 /nfs/dbraw/zinc/09/29/18/134092918.db2.gz WEEPONHCCXZSSH-VIFPVBQESA-N 1 2 236.315 1.745 20 0 BDADLO Cc1oncc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000336132591 134097795 /nfs/dbraw/zinc/09/77/95/134097795.db2.gz VAZZTAIUUKPYNJ-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000336132591 134097796 /nfs/dbraw/zinc/09/77/96/134097796.db2.gz VAZZTAIUUKPYNJ-JDNHERCYSA-N 1 2 242.344 1.326 20 0 BDADLO CC1(C)CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000336149398 134103388 /nfs/dbraw/zinc/10/33/88/134103388.db2.gz HUCNHSAFNCENDP-NSHDSACASA-N 1 2 247.342 1.847 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000336178632 134117457 /nfs/dbraw/zinc/11/74/57/134117457.db2.gz XPNUDRIESUOTIY-VIFPVBQESA-N 1 2 247.323 1.759 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000336178632 134117458 /nfs/dbraw/zinc/11/74/58/134117458.db2.gz XPNUDRIESUOTIY-VIFPVBQESA-N 1 2 247.323 1.759 20 0 BDADLO CCN1CC[N@H+](Cc2ccncc2C)[C@H](C)C1=O ZINC000336206726 134132383 /nfs/dbraw/zinc/13/23/83/134132383.db2.gz HHXXPWNUUDFLJS-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccncc2C)[C@H](C)C1=O ZINC000336206726 134132384 /nfs/dbraw/zinc/13/23/84/134132384.db2.gz HHXXPWNUUDFLJS-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccoc1 ZINC000178370076 134309218 /nfs/dbraw/zinc/30/92/18/134309218.db2.gz DSWRZDRFDHEEKY-UHFFFAOYSA-N 1 2 241.250 1.857 20 0 BDADLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000178731006 134311084 /nfs/dbraw/zinc/31/10/84/134311084.db2.gz CJRRPNNXWLJBLO-GXSJLCMTSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C(C1CC1)C1CC1 ZINC000178797518 134311346 /nfs/dbraw/zinc/31/13/46/134311346.db2.gz NKZJOHBWUDBDQT-UHFFFAOYSA-N 1 2 233.315 1.505 20 0 BDADLO CCOCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC000181018733 134333364 /nfs/dbraw/zinc/33/33/64/134333364.db2.gz XXGXOWNWGMHKTE-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000181018733 134333365 /nfs/dbraw/zinc/33/33/65/134333365.db2.gz XXGXOWNWGMHKTE-UHFFFAOYSA-N 1 2 227.308 1.661 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cncc(F)c1 ZINC000222715026 134334013 /nfs/dbraw/zinc/33/40/13/134334013.db2.gz HMNLVWMAZOUXCL-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CSCC[N@H+](C)Cc1ncnn1CC(C)C ZINC000182849744 134349001 /nfs/dbraw/zinc/34/90/01/134349001.db2.gz HTMMREZRCCQDCT-UHFFFAOYSA-N 1 2 242.392 1.729 20 0 BDADLO CSCC[N@@H+](C)Cc1ncnn1CC(C)C ZINC000182849744 134349002 /nfs/dbraw/zinc/34/90/02/134349002.db2.gz HTMMREZRCCQDCT-UHFFFAOYSA-N 1 2 242.392 1.729 20 0 BDADLO O=C1C[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)CN1 ZINC000225824670 134355846 /nfs/dbraw/zinc/35/58/46/134355846.db2.gz GUDLJQNWBMODHL-ZETCQYMHSA-N 1 2 245.204 1.401 20 0 BDADLO Cn1ccnc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000225999471 134357894 /nfs/dbraw/zinc/35/78/94/134357894.db2.gz MPZPYMMGYFFNJH-CYBMUJFWSA-N 1 2 243.310 1.781 20 0 BDADLO CCC[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000226234362 134362014 /nfs/dbraw/zinc/36/20/14/134362014.db2.gz FNNJXZDKRYBOBD-LLVKDONJSA-N 1 2 209.293 1.748 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000227790136 134394551 /nfs/dbraw/zinc/39/45/51/134394551.db2.gz HRNIOWGJMNIJGW-IVZWLZJFSA-N 1 2 229.320 1.341 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)no1 ZINC000185921586 134397035 /nfs/dbraw/zinc/39/70/35/134397035.db2.gz WFZGZNODGICNDI-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)no1 ZINC000185921586 134397036 /nfs/dbraw/zinc/39/70/36/134397036.db2.gz WFZGZNODGICNDI-GFCCVEGCSA-N 1 2 237.303 1.213 20 0 BDADLO C[C@@H]([NH2+]Cc1cscn1)C(=O)N1CCCC1 ZINC000134473125 134710980 /nfs/dbraw/zinc/71/09/80/134710980.db2.gz RQXVMAOSUAPQMI-SECBINFHSA-N 1 2 239.344 1.244 20 0 BDADLO CCC[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070651174 135002517 /nfs/dbraw/zinc/00/25/17/135002517.db2.gz QHVJJCCXNTUVHE-VIFPVBQESA-N 1 2 209.293 1.804 20 0 BDADLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000070650705 135004167 /nfs/dbraw/zinc/00/41/67/135004167.db2.gz SCVVNYWBECNMTO-UHFFFAOYSA-N 1 2 219.244 1.583 20 0 BDADLO Cc1occc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651476 135005614 /nfs/dbraw/zinc/00/56/14/135005614.db2.gz NFVVXIDWUYGFNF-UHFFFAOYSA-N 1 2 205.217 1.241 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCCC(C)C)[C@H](C)O ZINC000249036856 135030587 /nfs/dbraw/zinc/03/05/87/135030587.db2.gz MNBGOULKWBTEIW-GRYCIOLGSA-N 1 2 245.363 1.713 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000249272196 135036813 /nfs/dbraw/zinc/03/68/13/135036813.db2.gz KSABQQZSKUZJDD-AAEUAGOBSA-N 1 2 238.331 1.433 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000249272196 135036814 /nfs/dbraw/zinc/03/68/14/135036814.db2.gz KSABQQZSKUZJDD-AAEUAGOBSA-N 1 2 238.331 1.433 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@H]1O ZINC000253210629 135124902 /nfs/dbraw/zinc/12/49/02/135124902.db2.gz ZPHNYMIJJFPESY-ZWNOBZJWSA-N 1 2 245.326 1.780 20 0 BDADLO CC(C)[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261539559 135177634 /nfs/dbraw/zinc/17/76/34/135177634.db2.gz CTJUJAWYMBDDRF-YUMQZZPRSA-N 1 2 220.263 1.144 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000084081695 135182511 /nfs/dbraw/zinc/18/25/11/135182511.db2.gz FTXRVRCVKWFCFE-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000084081695 135182513 /nfs/dbraw/zinc/18/25/13/135182513.db2.gz FTXRVRCVKWFCFE-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)o1 ZINC000163792370 135187985 /nfs/dbraw/zinc/18/79/85/135187985.db2.gz QCUCWGXJZBAJIA-GFCCVEGCSA-N 1 2 239.315 1.560 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)o1 ZINC000163792370 135187986 /nfs/dbraw/zinc/18/79/86/135187986.db2.gz QCUCWGXJZBAJIA-GFCCVEGCSA-N 1 2 239.315 1.560 20 0 BDADLO C[NH2+]Cc1noc(/C=C2/CC[C@H](C)C2)n1 ZINC000261553820 135194138 /nfs/dbraw/zinc/19/41/38/135194138.db2.gz SVQODFHXMIUYKT-HWPCKVLBSA-N 1 2 207.277 1.992 20 0 BDADLO C[NH2+]Cc1noc(/C=C2/CC[C@@H](C)C2)n1 ZINC000261553821 135194141 /nfs/dbraw/zinc/19/41/41/135194141.db2.gz SVQODFHXMIUYKT-WSQKDGNHSA-N 1 2 207.277 1.992 20 0 BDADLO CCc1nc(N2CCOC[C@@H]2CC)cc(C)[nH+]1 ZINC000342421984 135267457 /nfs/dbraw/zinc/26/74/57/135267457.db2.gz YBSLHAFIXMOYPQ-NSHDSACASA-N 1 2 235.331 1.963 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366773495 135268586 /nfs/dbraw/zinc/26/85/86/135268586.db2.gz OJPLRRANVXLWKN-ZYHUDNBSSA-N 1 2 247.342 1.834 20 0 BDADLO CCCCN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000079065383 135269332 /nfs/dbraw/zinc/26/93/32/135269332.db2.gz PXSYBXHLRHJMFW-UHFFFAOYSA-N 1 2 238.335 1.715 20 0 BDADLO CN(C)CC[N@H+](C)Cc1ccccc1N(C)C ZINC000342389963 135270284 /nfs/dbraw/zinc/27/02/84/135270284.db2.gz ZICWALSHGHJCBQ-UHFFFAOYSA-N 1 2 235.375 1.746 20 0 BDADLO CN(C)CC[N@@H+](C)Cc1ccccc1N(C)C ZINC000342389963 135270287 /nfs/dbraw/zinc/27/02/87/135270287.db2.gz ZICWALSHGHJCBQ-UHFFFAOYSA-N 1 2 235.375 1.746 20 0 BDADLO CCc1onc(C)c1C(=O)Nc1ccc(N)[nH+]c1 ZINC000262293759 135291529 /nfs/dbraw/zinc/29/15/29/135291529.db2.gz YWRITDLHIHBXBB-UHFFFAOYSA-N 1 2 246.270 1.775 20 0 BDADLO CC(C)OC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000342633471 135298563 /nfs/dbraw/zinc/29/85/63/135298563.db2.gz NYXSKQJMECTGMS-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)OC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000342633471 135298564 /nfs/dbraw/zinc/29/85/64/135298564.db2.gz NYXSKQJMECTGMS-LBPRGKRZSA-N 1 2 241.331 1.439 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342639743 135299187 /nfs/dbraw/zinc/29/91/87/135299187.db2.gz OQQZKELTJDIIPX-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342639743 135299188 /nfs/dbraw/zinc/29/91/88/135299188.db2.gz OQQZKELTJDIIPX-LLVKDONJSA-N 1 2 238.331 1.872 20 0 BDADLO COCc1cnc(C[NH+]2CCC(O)CC2)s1 ZINC000342679186 135304832 /nfs/dbraw/zinc/30/48/32/135304832.db2.gz VMQGKVIIOSJANN-UHFFFAOYSA-N 1 2 242.344 1.246 20 0 BDADLO Cc1c[nH+]c(CN2CC[C@@H](O)C(C)(C)C2)n1C ZINC000342797885 135321357 /nfs/dbraw/zinc/32/13/57/135321357.db2.gz QXYQIKGRYGITKV-LLVKDONJSA-N 1 2 237.347 1.321 20 0 BDADLO Cc1c[nH+]c(CN2CCOC3(CCCC3)C2)n1C ZINC000342801520 135322273 /nfs/dbraw/zinc/32/22/73/135322273.db2.gz XHPIONGTWNQPCA-UHFFFAOYSA-N 1 2 249.358 1.874 20 0 BDADLO O=C(NCC1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262930145 135324136 /nfs/dbraw/zinc/32/41/36/135324136.db2.gz HSXQUOSHMUKYLS-SNVBAGLBSA-N 1 2 246.301 1.680 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC3(CCC3)C2)n1C ZINC000342769863 135326168 /nfs/dbraw/zinc/32/61/68/135326168.db2.gz UOKQMYBUNRKDPO-UHFFFAOYSA-N 1 2 249.358 1.731 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC3(CCC3)C2)n1C ZINC000342769863 135326169 /nfs/dbraw/zinc/32/61/69/135326169.db2.gz UOKQMYBUNRKDPO-UHFFFAOYSA-N 1 2 249.358 1.731 20 0 BDADLO Cc1c[nH+]c(CN2CCOCC3(CCC3)C2)n1C ZINC000342769863 135326170 /nfs/dbraw/zinc/32/61/70/135326170.db2.gz UOKQMYBUNRKDPO-UHFFFAOYSA-N 1 2 249.358 1.731 20 0 BDADLO Cc1cnc(C[N@H+](C)CCc2cnccn2)n1C ZINC000342770123 135326542 /nfs/dbraw/zinc/32/65/42/135326542.db2.gz VUWXQRFOCSQLDW-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1cnc(C[N@@H+](C)CCc2cnccn2)n1C ZINC000342770123 135326544 /nfs/dbraw/zinc/32/65/44/135326544.db2.gz VUWXQRFOCSQLDW-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1c[nH+]c(CN(C)CCc2cnccn2)n1C ZINC000342770123 135326545 /nfs/dbraw/zinc/32/65/45/135326545.db2.gz VUWXQRFOCSQLDW-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1c[nH+]c(CN2CCO[C@H]3CCCC[C@H]32)n1C ZINC000342774475 135327112 /nfs/dbraw/zinc/32/71/12/135327112.db2.gz DHSUZLCJLVCYQZ-OLZOCXBDSA-N 1 2 249.358 1.872 20 0 BDADLO O=C(NCc1ccoc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334226281 135330351 /nfs/dbraw/zinc/33/03/51/135330351.db2.gz ZMMHSMQURVXSFC-LLVKDONJSA-N 1 2 245.282 1.355 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263115306 135334107 /nfs/dbraw/zinc/33/41/07/135334107.db2.gz APCUTFUPIOGTNF-OPRDCNLKSA-N 1 2 246.301 1.679 20 0 BDADLO COCc1cnc(C[N@H+](C)CC[C@H](C)O)s1 ZINC000342942611 135337310 /nfs/dbraw/zinc/33/73/10/135337310.db2.gz LVHBHOWPGBGVQE-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO COCc1cnc(C[N@@H+](C)CC[C@H](C)O)s1 ZINC000342942611 135337311 /nfs/dbraw/zinc/33/73/11/135337311.db2.gz LVHBHOWPGBGVQE-VIFPVBQESA-N 1 2 244.360 1.492 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1nccn1C ZINC000334295018 135341905 /nfs/dbraw/zinc/34/19/05/135341905.db2.gz VJDMCTJMCPNXPR-MWLCHTKSSA-N 1 2 245.330 1.351 20 0 BDADLO CC(C)[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263309654 135345876 /nfs/dbraw/zinc/34/58/76/135345876.db2.gz YJUWZGGWEZQILC-VHSXEESVSA-N 1 2 246.301 1.488 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263315552 135346699 /nfs/dbraw/zinc/34/66/99/135346699.db2.gz ZKSADXWGAUNSMQ-RKDXNWHRSA-N 1 2 232.274 1.242 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@H]2C)[nH]1 ZINC000334308680 135349789 /nfs/dbraw/zinc/34/97/89/135349789.db2.gz ICCGHBLUOPNFCE-RKDXNWHRSA-N 1 2 208.309 1.768 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@H]2C)[nH]1 ZINC000334308680 135349791 /nfs/dbraw/zinc/34/97/91/135349791.db2.gz ICCGHBLUOPNFCE-RKDXNWHRSA-N 1 2 208.309 1.768 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000334310441 135350893 /nfs/dbraw/zinc/35/08/93/135350893.db2.gz JFIFNIZZHHLLEO-LLVKDONJSA-N 1 2 245.326 1.449 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000334310441 135350894 /nfs/dbraw/zinc/35/08/94/135350894.db2.gz JFIFNIZZHHLLEO-LLVKDONJSA-N 1 2 245.326 1.449 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1Cc2ccccc2C1 ZINC000334310038 135351091 /nfs/dbraw/zinc/35/10/91/135351091.db2.gz KIRDLTISGMPKJT-UHFFFAOYSA-N 1 2 241.294 1.803 20 0 BDADLO Cc1cc(N2CC[C@@]3(C2)CCCOC3)nc[nH+]1 ZINC000343151842 135361459 /nfs/dbraw/zinc/36/14/59/135361459.db2.gz CCUZZZRGSBRPSX-CYBMUJFWSA-N 1 2 233.315 1.792 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCNC2=O)sc1C ZINC000334343431 135365462 /nfs/dbraw/zinc/36/54/62/135365462.db2.gz RATOSDZHRACNAF-SECBINFHSA-N 1 2 239.344 1.080 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CCNC2=O)sc1C ZINC000334343431 135365463 /nfs/dbraw/zinc/36/54/63/135365463.db2.gz RATOSDZHRACNAF-SECBINFHSA-N 1 2 239.344 1.080 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000334356277 135369644 /nfs/dbraw/zinc/36/96/44/135369644.db2.gz MWYXQTVYOZEKGA-SNVBAGLBSA-N 1 2 209.293 1.420 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000334356277 135369646 /nfs/dbraw/zinc/36/96/46/135369646.db2.gz MWYXQTVYOZEKGA-SNVBAGLBSA-N 1 2 209.293 1.420 20 0 BDADLO COc1c(C[N@@H+]2CC[C@](C)(F)C2)c(C)nn1C ZINC000334356783 135371570 /nfs/dbraw/zinc/37/15/70/135371570.db2.gz OCEPYVLCWCPDDF-LBPRGKRZSA-N 1 2 241.310 1.671 20 0 BDADLO COc1c(C[N@H+]2CC[C@](C)(F)C2)c(C)nn1C ZINC000334356783 135371572 /nfs/dbraw/zinc/37/15/72/135371572.db2.gz OCEPYVLCWCPDDF-LBPRGKRZSA-N 1 2 241.310 1.671 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000334373416 135376275 /nfs/dbraw/zinc/37/62/75/135376275.db2.gz ZYGAIDHTBOFZLC-DTWKUNHWSA-N 1 2 221.304 1.554 20 0 BDADLO CC1=CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000334380494 135380433 /nfs/dbraw/zinc/38/04/33/135380433.db2.gz ZOJLKQUXYHJGBH-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000334415192 135396971 /nfs/dbraw/zinc/39/69/71/135396971.db2.gz NNPFCHXYFHWNTB-BDAKNGLRSA-N 1 2 244.289 1.853 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000334415192 135396972 /nfs/dbraw/zinc/39/69/72/135396972.db2.gz NNPFCHXYFHWNTB-BDAKNGLRSA-N 1 2 244.289 1.853 20 0 BDADLO OC[C@H]1C[N@H+](Cc2coc3ccccc23)CCO1 ZINC000334427135 135398127 /nfs/dbraw/zinc/39/81/27/135398127.db2.gz WSIWRPAGPFRSAE-GFCCVEGCSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2coc3ccccc23)CCO1 ZINC000334427135 135398129 /nfs/dbraw/zinc/39/81/29/135398129.db2.gz WSIWRPAGPFRSAE-GFCCVEGCSA-N 1 2 247.294 1.626 20 0 BDADLO Cc1cc(NCC2CCOCC2)nc[nH+]1 ZINC000082545045 135438948 /nfs/dbraw/zinc/43/89/48/135438948.db2.gz LXZQPQROHVBWPW-UHFFFAOYSA-N 1 2 207.277 1.624 20 0 BDADLO CCCCO[C@@H]1C[C@H]([NH2+]CC(=O)OC)C1(C)C ZINC000347710936 136002426 /nfs/dbraw/zinc/00/24/26/136002426.db2.gz XXUCPRGAOSUTHT-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000347724257 136003390 /nfs/dbraw/zinc/00/33/90/136003390.db2.gz ZKMJFYHKRUOFOJ-NEPJUHHUSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000347724257 136003391 /nfs/dbraw/zinc/00/33/91/136003391.db2.gz ZKMJFYHKRUOFOJ-NEPJUHHUSA-N 1 2 242.363 1.212 20 0 BDADLO CCN(CC(F)F)c1nc(C)[nH+]c(N(C)C)n1 ZINC000347908198 136015992 /nfs/dbraw/zinc/01/59/92/136015992.db2.gz QRZHDLOJGNBLHG-UHFFFAOYSA-N 1 2 245.277 1.337 20 0 BDADLO CCN(CC(F)F)c1nc(N(C)C)nc(C)[nH+]1 ZINC000347908198 136015993 /nfs/dbraw/zinc/01/59/93/136015993.db2.gz QRZHDLOJGNBLHG-UHFFFAOYSA-N 1 2 245.277 1.337 20 0 BDADLO CC[C@@H](C)OCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347999417 136020547 /nfs/dbraw/zinc/02/05/47/136020547.db2.gz ZRGZWDLAQSQNII-ZJUUUORDSA-N 1 2 239.319 1.792 20 0 BDADLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccco1 ZINC000348014938 136021683 /nfs/dbraw/zinc/02/16/83/136021683.db2.gz SJSRFTBPLJRUSP-VIFPVBQESA-N 1 2 232.287 1.668 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000335317551 136025368 /nfs/dbraw/zinc/02/53/68/136025368.db2.gz KEVVBULLXGLYGL-GFCCVEGCSA-N 1 2 247.342 1.926 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000335319837 136034027 /nfs/dbraw/zinc/03/40/27/136034027.db2.gz BXGCXLBVGYPPCB-CBAPKCEASA-N 1 2 226.226 1.652 20 0 BDADLO CCCCNC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000348112791 136037497 /nfs/dbraw/zinc/03/74/97/136037497.db2.gz QFJJIPPCMHQASY-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO CCCCNC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000348112791 136037498 /nfs/dbraw/zinc/03/74/98/136037498.db2.gz QFJJIPPCMHQASY-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000348190259 136048525 /nfs/dbraw/zinc/04/85/25/136048525.db2.gz URSKKLMQVJUOIS-JGVFFNPUSA-N 1 2 201.220 1.461 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)Nc1cc[nH]n1 ZINC000335326255 136051657 /nfs/dbraw/zinc/05/16/57/136051657.db2.gz DVNCXLMWZARHLX-UHFFFAOYSA-N 1 2 231.259 1.487 20 0 BDADLO CCC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335332806 136054434 /nfs/dbraw/zinc/05/44/34/136054434.db2.gz LSFCMQBXRBKFSV-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO CO[C@@]1(C)CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000348251120 136057126 /nfs/dbraw/zinc/05/71/26/136057126.db2.gz ZGVQATAMILYXOQ-NSHDSACASA-N 1 2 241.360 1.847 20 0 BDADLO CO[C@@]1(C)CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000348251120 136057127 /nfs/dbraw/zinc/05/71/27/136057127.db2.gz ZGVQATAMILYXOQ-NSHDSACASA-N 1 2 241.360 1.847 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C[C@@H]1C[C@H]1C ZINC000348275098 136059210 /nfs/dbraw/zinc/05/92/10/136059210.db2.gz BWKPCLCCGNCMCK-ZJUUUORDSA-N 1 2 234.299 1.753 20 0 BDADLO CC(C)([NH2+]Cc1nccc(N)n1)c1cccs1 ZINC000348302459 136064616 /nfs/dbraw/zinc/06/46/16/136064616.db2.gz ALVDUGCZGBYOPA-UHFFFAOYSA-N 1 2 248.355 1.976 20 0 BDADLO CO[C@H]1CC[C@H](NC(=O)c2c[nH+]c(C)[nH]2)C1 ZINC000335346233 136066629 /nfs/dbraw/zinc/06/66/29/136066629.db2.gz QOIWWSJXUBNNBZ-IUCAKERBSA-N 1 2 223.276 1.015 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cnn(C)c2)nc1 ZINC000348319465 136069154 /nfs/dbraw/zinc/06/91/54/136069154.db2.gz VCASKSYOGVIAKL-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO O=C(C1CC2(CCC2)C1)N1CCn2cc[nH+]c2C1 ZINC000335353690 136070143 /nfs/dbraw/zinc/07/01/43/136070143.db2.gz HARVLEZRDYTPEJ-UHFFFAOYSA-N 1 2 245.326 1.806 20 0 BDADLO Cc1cncc(C[N@@H+](C)Cc2ccnn2C)c1 ZINC000348382665 136074254 /nfs/dbraw/zinc/07/42/54/136074254.db2.gz XWPTWJPMIIQQGD-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cncc(C[N@H+](C)Cc2ccnn2C)c1 ZINC000348382665 136074255 /nfs/dbraw/zinc/07/42/55/136074255.db2.gz XWPTWJPMIIQQGD-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2N(C)C)CC(=O)N1 ZINC000335401928 136083205 /nfs/dbraw/zinc/08/32/05/136083205.db2.gz WYJCLFCXRKYVSF-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2N(C)C)CC(=O)N1 ZINC000335401928 136083206 /nfs/dbraw/zinc/08/32/06/136083206.db2.gz WYJCLFCXRKYVSF-NSHDSACASA-N 1 2 247.342 1.073 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335372154 136084020 /nfs/dbraw/zinc/08/40/20/136084020.db2.gz SPTZICMVQVWUHV-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335372154 136084021 /nfs/dbraw/zinc/08/40/21/136084021.db2.gz SPTZICMVQVWUHV-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335372154 136084022 /nfs/dbraw/zinc/08/40/22/136084022.db2.gz SPTZICMVQVWUHV-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000335372154 136084023 /nfs/dbraw/zinc/08/40/23/136084023.db2.gz SPTZICMVQVWUHV-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335385120 136088635 /nfs/dbraw/zinc/08/86/35/136088635.db2.gz CRYGIZQQGLQMKW-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335385120 136088636 /nfs/dbraw/zinc/08/86/36/136088636.db2.gz CRYGIZQQGLQMKW-MRVPVSSYSA-N 1 2 229.711 1.294 20 0 BDADLO Cc1ccc(NC(=O)N[C@H]2CO[C@@H](C)C2)c(C)[nH+]1 ZINC000335391546 136090838 /nfs/dbraw/zinc/09/08/38/136090838.db2.gz YORPYBQUQFUWKZ-GXSJLCMTSA-N 1 2 249.314 1.997 20 0 BDADLO O=C(N[C@@H]1CC=CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335549724 136097639 /nfs/dbraw/zinc/09/76/39/136097639.db2.gz UIMOIJCLKDCFQH-NWDGAFQWSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335550600 136097869 /nfs/dbraw/zinc/09/78/69/136097869.db2.gz ZUBQJVOWAVQZKN-QWRGUYRKSA-N 1 2 233.315 1.314 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335558065 136100455 /nfs/dbraw/zinc/10/04/55/136100455.db2.gz KGMNSWBOCSZFNT-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC1(C)C ZINC000335559919 136100892 /nfs/dbraw/zinc/10/08/92/136100892.db2.gz SAHKIIBZWJURLW-PWSUYJOCSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)nc1 ZINC000335583932 136101274 /nfs/dbraw/zinc/10/12/74/136101274.db2.gz KPJYWQHECWJECV-UWVGGRQHSA-N 1 2 221.329 1.475 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)nc1 ZINC000335583932 136101275 /nfs/dbraw/zinc/10/12/75/136101275.db2.gz KPJYWQHECWJECV-UWVGGRQHSA-N 1 2 221.329 1.475 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000050375002 322849622 /nfs/dbraw/zinc/84/96/22/322849622.db2.gz AOYGALVSKNBXKI-NXEZZACHSA-N 1 2 247.302 1.343 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1CCC1 ZINC000570460013 397748814 /nfs/dbraw/zinc/74/88/14/397748814.db2.gz MLOGRUDIOYSUHA-UHFFFAOYSA-N 1 2 207.277 1.319 20 0 BDADLO CCO[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155165599 397749933 /nfs/dbraw/zinc/74/99/33/397749933.db2.gz UEIRJLBXUDOUTL-LLVKDONJSA-N 1 2 239.319 1.157 20 0 BDADLO O=C1OCC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000155533357 397752845 /nfs/dbraw/zinc/75/28/45/397752845.db2.gz PYQFMAYAKJIZAT-LLVKDONJSA-N 1 2 203.241 1.318 20 0 BDADLO CC(C)c1nc(N[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000301337660 397788525 /nfs/dbraw/zinc/78/85/25/397788525.db2.gz CWPOXTXYNIDLSD-UWVGGRQHSA-N 1 2 221.304 1.925 20 0 BDADLO CS[C@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178813980 397847901 /nfs/dbraw/zinc/84/79/01/397847901.db2.gz DRACLDVBZHZXBJ-SECBINFHSA-N 1 2 249.339 1.816 20 0 BDADLO COC(=O)C[C@H]1CCCN1c1cccc[nH+]1 ZINC000178850810 397849163 /nfs/dbraw/zinc/84/91/63/397849163.db2.gz YVUMWHYTYIIVMF-SNVBAGLBSA-N 1 2 220.272 1.614 20 0 BDADLO CCc1nocc1C[NH2+]Cc1ccccn1 ZINC000382016441 397859644 /nfs/dbraw/zinc/85/96/44/397859644.db2.gz OKIFIBWMTYFMIS-UHFFFAOYSA-N 1 2 217.272 1.922 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2ccccn2)[nH]1 ZINC000309600589 397865658 /nfs/dbraw/zinc/86/56/58/397865658.db2.gz JYPAWSXXOOBJIO-MRVPVSSYSA-N 1 2 217.276 1.359 20 0 BDADLO CC[C@@H](F)C[N@H+](CC)Cc1cn(C)nn1 ZINC000440526605 397929787 /nfs/dbraw/zinc/92/97/87/397929787.db2.gz YDJZSWNHCDWJGN-SECBINFHSA-N 1 2 214.288 1.385 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC)Cc1cn(C)nn1 ZINC000440526605 397929789 /nfs/dbraw/zinc/92/97/89/397929789.db2.gz YDJZSWNHCDWJGN-SECBINFHSA-N 1 2 214.288 1.385 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCOC1CCC1 ZINC000554699658 397965417 /nfs/dbraw/zinc/96/54/17/397965417.db2.gz JWODUHJOYSLDRB-UHFFFAOYSA-N 1 2 247.302 1.437 20 0 BDADLO C[C@@H]1CCC[C@@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000448695349 397936750 /nfs/dbraw/zinc/93/67/50/397936750.db2.gz WAMUTZIKPUFVNV-DGCLKSJQSA-N 1 2 235.331 1.826 20 0 BDADLO CCc1cc(NCc2ncccc2OC)nc[nH+]1 ZINC000649549283 397939858 /nfs/dbraw/zinc/93/98/58/397939858.db2.gz OMJRYOFMRYKEFP-UHFFFAOYSA-N 1 2 244.298 1.477 20 0 BDADLO Cc1noc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000357767131 397940964 /nfs/dbraw/zinc/94/09/64/397940964.db2.gz KIQWPWOAGLKGNB-IUCAKERBSA-N 1 2 235.291 1.314 20 0 BDADLO C[N@H+](CC(F)F)[C@H](CO)CC(C)(C)C ZINC000650142205 397942135 /nfs/dbraw/zinc/94/21/35/397942135.db2.gz IHFZRSJHOXTCPU-QMMMGPOBSA-N 1 2 209.280 1.980 20 0 BDADLO C[N@@H+](CC(F)F)[C@H](CO)CC(C)(C)C ZINC000650142205 397942138 /nfs/dbraw/zinc/94/21/38/397942138.db2.gz IHFZRSJHOXTCPU-QMMMGPOBSA-N 1 2 209.280 1.980 20 0 BDADLO CC(C)[C@@H](C)[S@](=O)Cc1c[nH+]cn1C ZINC000268216893 397950067 /nfs/dbraw/zinc/95/00/67/397950067.db2.gz RQAQYGZQLCMGPG-YMTOWFKASA-N 1 2 214.334 1.713 20 0 BDADLO CC(C)[C@@H](C)[S@@](=O)Cc1c[nH+]cn1C ZINC000268216889 397950135 /nfs/dbraw/zinc/95/01/35/397950135.db2.gz RQAQYGZQLCMGPG-OTYXRUKQSA-N 1 2 214.334 1.713 20 0 BDADLO Cn1c[nH+]cc1CN1C(=O)SC(C)(C)C1=O ZINC000268716206 397953397 /nfs/dbraw/zinc/95/33/97/397953397.db2.gz MPNHOXNAOBYQHK-UHFFFAOYSA-N 1 2 239.300 1.394 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCC[C@@H]1CCO ZINC000493479242 397953740 /nfs/dbraw/zinc/95/37/40/397953740.db2.gz BXKRWTKDNWVEBO-SGUJLRQBSA-N 1 2 249.314 1.186 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000649566486 397955856 /nfs/dbraw/zinc/95/58/56/397955856.db2.gz MATGSJNPADNJJF-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO C[C@@H]1COCCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000649566486 397955860 /nfs/dbraw/zinc/95/58/60/397955860.db2.gz MATGSJNPADNJJF-GFCCVEGCSA-N 1 2 249.358 1.830 20 0 BDADLO CN(C[C@H]1CCC[C@H]1O)c1cccc[nH+]1 ZINC000270015438 397959504 /nfs/dbraw/zinc/95/95/04/397959504.db2.gz VJQMYMFQCCIOAH-GHMZBOCLSA-N 1 2 206.289 1.679 20 0 BDADLO CCC[C@H](C)C[NH2+][C@@H](COC)C(=O)OC ZINC000336773404 397902436 /nfs/dbraw/zinc/90/24/36/397902436.db2.gz YQPJZIYHHBKNOH-UWVGGRQHSA-N 1 2 217.309 1.200 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000271132131 397963382 /nfs/dbraw/zinc/96/33/82/397963382.db2.gz QJQBVNQJOAHEAF-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000271132131 397963384 /nfs/dbraw/zinc/96/33/84/397963384.db2.gz QJQBVNQJOAHEAF-RYUDHWBXSA-N 1 2 221.304 1.173 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H](CO)CCC(C)(C)C ZINC000355684424 397916437 /nfs/dbraw/zinc/91/64/37/397916437.db2.gz UYVUZPIYKFHBIA-LBPRGKRZSA-N 1 2 239.363 1.995 20 0 BDADLO CCCCCOCC(=O)NCc1[nH+]ccn1C ZINC000264307337 397919621 /nfs/dbraw/zinc/91/96/21/397919621.db2.gz MVGJJJFDIZGUGE-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H](C)O1 ZINC000649528980 397921025 /nfs/dbraw/zinc/92/10/25/397921025.db2.gz ZVYHVUAAICWPCC-SMDDNHRTSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H](C)O1 ZINC000649528980 397921029 /nfs/dbraw/zinc/92/10/29/397921029.db2.gz ZVYHVUAAICWPCC-SMDDNHRTSA-N 1 2 249.358 1.829 20 0 BDADLO Cc1ccncc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279344470 398045079 /nfs/dbraw/zinc/04/50/79/398045079.db2.gz DUPDURKUULBWGN-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC000054937421 398019471 /nfs/dbraw/zinc/01/94/71/398019471.db2.gz CKXRGCXWSCWSEX-QMMMGPOBSA-N 1 2 223.276 1.030 20 0 BDADLO Cc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)on1 ZINC000649650762 398021099 /nfs/dbraw/zinc/02/10/99/398021099.db2.gz KUONQMVBINTNEB-JTQLQIEISA-N 1 2 248.286 1.447 20 0 BDADLO C[NH+](C)Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000277750450 398033194 /nfs/dbraw/zinc/03/31/94/398033194.db2.gz CGZVKMCCMSGHOG-UHFFFAOYSA-N 1 2 243.270 1.675 20 0 BDADLO CC(=O)NCCC[N@@H+]1CCCC(F)(F)C1 ZINC000649693000 398041551 /nfs/dbraw/zinc/04/15/51/398041551.db2.gz NAPZBLANIDWTEH-UHFFFAOYSA-N 1 2 220.263 1.244 20 0 BDADLO CC(=O)NCCC[N@H+]1CCCC(F)(F)C1 ZINC000649693000 398041553 /nfs/dbraw/zinc/04/15/53/398041553.db2.gz NAPZBLANIDWTEH-UHFFFAOYSA-N 1 2 220.263 1.244 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000649591233 397978453 /nfs/dbraw/zinc/97/84/53/397978453.db2.gz RAEGJBWXNJVCMR-FXBDTBDDSA-N 1 2 241.360 1.844 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000649591233 397978457 /nfs/dbraw/zinc/97/84/57/397978457.db2.gz RAEGJBWXNJVCMR-FXBDTBDDSA-N 1 2 241.360 1.844 20 0 BDADLO Cc1cncc(CC[N@H+]2CCOC[C@H]2C)n1 ZINC000649593915 397982586 /nfs/dbraw/zinc/98/25/86/397982586.db2.gz GHPXDYXKHLPFMG-LLVKDONJSA-N 1 2 221.304 1.048 20 0 BDADLO Cc1cncc(CC[N@@H+]2CCOC[C@H]2C)n1 ZINC000649593915 397982588 /nfs/dbraw/zinc/98/25/88/397982588.db2.gz GHPXDYXKHLPFMG-LLVKDONJSA-N 1 2 221.304 1.048 20 0 BDADLO Cc1cncc(CC[N@@H+]2Cc3cccnc3C2)n1 ZINC000649596814 397984567 /nfs/dbraw/zinc/98/45/67/397984567.db2.gz IRBRVADYBVLOIZ-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1cncc(CC[N@H+]2Cc3cccnc3C2)n1 ZINC000649596814 397984569 /nfs/dbraw/zinc/98/45/69/397984569.db2.gz IRBRVADYBVLOIZ-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000528377265 397985386 /nfs/dbraw/zinc/98/53/86/397985386.db2.gz DRZQWGPVLJFHGH-LLGDCAAFSA-N 1 2 230.739 1.585 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000528377265 397985388 /nfs/dbraw/zinc/98/53/88/397985388.db2.gz DRZQWGPVLJFHGH-LLGDCAAFSA-N 1 2 230.739 1.585 20 0 BDADLO FC1(F)CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000649695604 398043676 /nfs/dbraw/zinc/04/36/76/398043676.db2.gz AACJSZXYPSTVTM-UHFFFAOYSA-N 1 2 215.247 1.683 20 0 BDADLO FC1(F)CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000649695604 398043678 /nfs/dbraw/zinc/04/36/78/398043678.db2.gz AACJSZXYPSTVTM-UHFFFAOYSA-N 1 2 215.247 1.683 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](CC)CO1 ZINC000649719643 398062485 /nfs/dbraw/zinc/06/24/85/398062485.db2.gz UMWOUJZOSKFETM-QWHCGFSZSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](CC)CO1 ZINC000649719643 398062486 /nfs/dbraw/zinc/06/24/86/398062486.db2.gz UMWOUJZOSKFETM-QWHCGFSZSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)C)[C@H](CC)CO1 ZINC000649722013 398066166 /nfs/dbraw/zinc/06/61/66/398066166.db2.gz GYOOCRWZMXIUQA-VXGBXAGGSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)[C@H](CC)CO1 ZINC000649722013 398066169 /nfs/dbraw/zinc/06/61/69/398066169.db2.gz GYOOCRWZMXIUQA-VXGBXAGGSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1nnsc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000384141386 398070236 /nfs/dbraw/zinc/07/02/36/398070236.db2.gz DMJGOOVJBCHDBK-APPZFPTMSA-N 1 2 249.343 1.839 20 0 BDADLO Cc1nocc1C[NH2+][C@@H](C)c1ccon1 ZINC000339350919 398070689 /nfs/dbraw/zinc/07/06/89/398070689.db2.gz ZWOJSVPEASIRSG-QMMMGPOBSA-N 1 2 207.233 1.822 20 0 BDADLO CC(C)=CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283274923 398070756 /nfs/dbraw/zinc/07/07/56/398070756.db2.gz VXRNCTUJXUHRTH-ONEGZZNKSA-N 1 2 205.261 1.505 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)[C@H](C)CO1 ZINC000649732384 398072389 /nfs/dbraw/zinc/07/23/89/398072389.db2.gz WLAATXOEBCCLLI-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)[C@H](C)CO1 ZINC000649732384 398072394 /nfs/dbraw/zinc/07/23/94/398072394.db2.gz WLAATXOEBCCLLI-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000649732404 398072589 /nfs/dbraw/zinc/07/25/89/398072589.db2.gz WYZOVRPEDREPQN-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO Cc1cccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)n1 ZINC000496000747 398081076 /nfs/dbraw/zinc/08/10/76/398081076.db2.gz BYAKZSPAIISNQF-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1cccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)n1 ZINC000496000747 398081082 /nfs/dbraw/zinc/08/10/82/398081082.db2.gz BYAKZSPAIISNQF-GFCCVEGCSA-N 1 2 247.298 1.026 20 0 BDADLO CCN(C#N)CC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000602915295 398083583 /nfs/dbraw/zinc/08/35/83/398083583.db2.gz MPACBBYOUQWUJH-UHFFFAOYSA-N 1 2 245.326 1.814 20 0 BDADLO CCN(C#N)CC[N@H+]1Cc2cccc(OC)c2C1 ZINC000602915295 398083585 /nfs/dbraw/zinc/08/35/85/398083585.db2.gz MPACBBYOUQWUJH-UHFFFAOYSA-N 1 2 245.326 1.814 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000649703974 398051960 /nfs/dbraw/zinc/05/19/60/398051960.db2.gz RRZOGKHYDZLWAW-JTQLQIEISA-N 1 2 241.360 1.928 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000649703974 398051962 /nfs/dbraw/zinc/05/19/62/398051962.db2.gz RRZOGKHYDZLWAW-JTQLQIEISA-N 1 2 241.360 1.928 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nc(C)no1 ZINC000649715040 398056844 /nfs/dbraw/zinc/05/68/44/398056844.db2.gz RYGWBJPQJWIPAW-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nc(C)no1 ZINC000649715040 398056845 /nfs/dbraw/zinc/05/68/45/398056845.db2.gz RYGWBJPQJWIPAW-JTQLQIEISA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cnc[nH]1 ZINC000649717692 398058900 /nfs/dbraw/zinc/05/89/00/398058900.db2.gz KMYFDJGKWOATSV-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cnc[nH]1 ZINC000649717692 398058902 /nfs/dbraw/zinc/05/89/02/398058902.db2.gz KMYFDJGKWOATSV-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1c[nH]cn1 ZINC000649717692 398058905 /nfs/dbraw/zinc/05/89/05/398058905.db2.gz KMYFDJGKWOATSV-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1c[nH]cn1 ZINC000649717692 398058906 /nfs/dbraw/zinc/05/89/06/398058906.db2.gz KMYFDJGKWOATSV-NSHDSACASA-N 1 2 223.320 1.799 20 0 BDADLO CSCCCNc1[nH+]cnc2c1cnn2C ZINC000069012776 398099971 /nfs/dbraw/zinc/09/99/71/398099971.db2.gz CGXQEULIESQSBG-UHFFFAOYSA-N 1 2 237.332 1.528 20 0 BDADLO Nc1ccc(NC(=O)CC[C@@H]2CCCCO2)c[nH+]1 ZINC000069399027 398106803 /nfs/dbraw/zinc/10/68/03/398106803.db2.gz UXOISFQHQYPQJG-NSHDSACASA-N 1 2 249.314 1.952 20 0 BDADLO Cc1noc(C[NH+]2CCC3(CC3(F)F)CC2)n1 ZINC000649774142 398097007 /nfs/dbraw/zinc/09/70/07/398097007.db2.gz UPDVAKWFXQBWTM-UHFFFAOYSA-N 1 2 243.257 1.999 20 0 BDADLO Cc1noc(C)c1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000069537417 398113779 /nfs/dbraw/zinc/11/37/79/398113779.db2.gz VUIYZPXVOLVVNZ-IUCAKERBSA-N 1 2 224.304 1.901 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)C2(CCC2)CO1 ZINC000649822916 398124075 /nfs/dbraw/zinc/12/40/75/398124075.db2.gz SQTQISWIJSLGJZ-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)C2(CCC2)CO1 ZINC000649822916 398124078 /nfs/dbraw/zinc/12/40/78/398124078.db2.gz SQTQISWIJSLGJZ-SNVBAGLBSA-N 1 2 222.288 1.818 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)nn1C ZINC000649823874 398126227 /nfs/dbraw/zinc/12/62/27/398126227.db2.gz PKNJRNQCHXINDU-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)nn1C ZINC000649823874 398126229 /nfs/dbraw/zinc/12/62/29/398126229.db2.gz PKNJRNQCHXINDU-LBPRGKRZSA-N 1 2 249.358 1.872 20 0 BDADLO Cn1ccc(CNC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000263857225 398126249 /nfs/dbraw/zinc/12/62/49/398126249.db2.gz SSXOYLIJCUTNKO-GFCCVEGCSA-N 1 2 248.330 1.406 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[C@H]2C1 ZINC000619361137 398126364 /nfs/dbraw/zinc/12/63/64/398126364.db2.gz MCDLHIRXKOVHHR-TUAOUCFPSA-N 1 2 245.326 1.314 20 0 BDADLO CC[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000294108076 398122094 /nfs/dbraw/zinc/12/20/94/398122094.db2.gz SCMIMPPWVWYDKX-VIFPVBQESA-N 1 2 207.277 1.272 20 0 BDADLO CC(C)n1nccc1NC(=O)Cc1c[nH+]cn1C ZINC000547864270 398133806 /nfs/dbraw/zinc/13/38/06/398133806.db2.gz UJGWLERIXPWQRZ-UHFFFAOYSA-N 1 2 247.302 1.379 20 0 BDADLO C[C@H](CC(=O)NC1CC=CC1)n1cc[nH+]c1 ZINC000649839872 398135002 /nfs/dbraw/zinc/13/50/02/398135002.db2.gz YDHXMZYVVWOGRZ-SNVBAGLBSA-N 1 2 219.288 1.669 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000272020648 167020390 /nfs/dbraw/zinc/02/03/90/167020390.db2.gz MQCGWEMFWODSSL-LLVKDONJSA-N 1 2 239.319 1.060 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000372955532 167021773 /nfs/dbraw/zinc/02/17/73/167021773.db2.gz NWJXRIAQGWSABP-DGCLKSJQSA-N 1 2 241.331 1.343 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@H](C)c1nccs1 ZINC000070733091 167061378 /nfs/dbraw/zinc/06/13/78/167061378.db2.gz XDQGNFMZNLKPDY-MRVPVSSYSA-N 1 2 227.333 1.318 20 0 BDADLO C[C@@]1(O)C[C@H]([NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000669574139 487561125 /nfs/dbraw/zinc/56/11/25/487561125.db2.gz RXXISWIGPQDSAJ-SWZMTVOYSA-N 1 2 231.299 1.566 20 0 BDADLO CC(C)OCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367613859 167182041 /nfs/dbraw/zinc/18/20/41/167182041.db2.gz ZHPCDFZECKMYKU-JTQLQIEISA-N 1 2 237.303 1.498 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC000527005518 487567199 /nfs/dbraw/zinc/56/71/99/487567199.db2.gz MGCAHOWSNVZSCC-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)c(=O)[nH]1 ZINC000527005518 487567203 /nfs/dbraw/zinc/56/72/03/487567203.db2.gz MGCAHOWSNVZSCC-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO COCC[C@@H](COC)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000685664089 487572260 /nfs/dbraw/zinc/57/22/60/487572260.db2.gz JVYIYBRQBJIAAN-ONGXEEELSA-N 1 2 241.335 1.420 20 0 BDADLO COCC[C@@H](COC)[NH2+][C@H](C)c1cn[nH]c1C ZINC000685664087 487572271 /nfs/dbraw/zinc/57/22/71/487572271.db2.gz JVYIYBRQBJIAAN-KOLCDFICSA-N 1 2 241.335 1.420 20 0 BDADLO C[C@H]([N@H+](C)Cc1csnn1)C(C)(C)O ZINC000382971955 487572809 /nfs/dbraw/zinc/57/28/09/487572809.db2.gz QYPFGZWLJAEZBJ-ZETCQYMHSA-N 1 2 215.322 1.129 20 0 BDADLO C[C@H]([N@@H+](C)Cc1csnn1)C(C)(C)O ZINC000382971955 487572812 /nfs/dbraw/zinc/57/28/12/487572812.db2.gz QYPFGZWLJAEZBJ-ZETCQYMHSA-N 1 2 215.322 1.129 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154956 487575234 /nfs/dbraw/zinc/57/52/34/487575234.db2.gz VEGQWWDJMDZDRG-GHMZBOCLSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)OCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000366685637 167212919 /nfs/dbraw/zinc/21/29/19/167212919.db2.gz YEXTVHJTQWTOQW-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000366685637 167212920 /nfs/dbraw/zinc/21/29/20/167212920.db2.gz YEXTVHJTQWTOQW-JTQLQIEISA-N 1 2 237.290 1.503 20 0 BDADLO c1csc(CN2CCn3c[nH+]cc3C2)n1 ZINC000685850116 487587730 /nfs/dbraw/zinc/58/77/30/487587730.db2.gz GLZCGMRXRJBOLK-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC000556502133 322913973 /nfs/dbraw/zinc/91/39/73/322913973.db2.gz KHCGADQYKUWGBJ-SNVBAGLBSA-N 1 2 223.320 1.824 20 0 BDADLO CN(Cc1ccsc1)C(=O)CCn1cc[nH+]c1 ZINC000674555556 487596040 /nfs/dbraw/zinc/59/60/40/487596040.db2.gz GDRREQQZYWDMJS-UHFFFAOYSA-N 1 2 249.339 1.993 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000650190850 487598748 /nfs/dbraw/zinc/59/87/48/487598748.db2.gz AONLJMOJQAECOV-RKDXNWHRSA-N 1 2 238.335 1.057 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000650190850 487598755 /nfs/dbraw/zinc/59/87/55/487598755.db2.gz AONLJMOJQAECOV-RKDXNWHRSA-N 1 2 238.335 1.057 20 0 BDADLO CC(C)SCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000338314318 167326739 /nfs/dbraw/zinc/32/67/39/167326739.db2.gz KJIGJFRQBWUMQU-IINYFYTJSA-N 1 2 235.418 1.581 20 0 BDADLO CC(C)SCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000338314318 167326740 /nfs/dbraw/zinc/32/67/40/167326740.db2.gz KJIGJFRQBWUMQU-IINYFYTJSA-N 1 2 235.418 1.581 20 0 BDADLO Cc1nnc(CN(C)Cc2cc[nH+]c(N)c2)s1 ZINC000662257965 409557659 /nfs/dbraw/zinc/55/76/59/409557659.db2.gz TZHBKSZNTGBWOL-UHFFFAOYSA-N 1 2 249.343 1.456 20 0 BDADLO Cc1nnc(C[N@@H+](C)[C@H]2COC(C)(C)C2)s1 ZINC000662255108 409550581 /nfs/dbraw/zinc/55/05/81/409550581.db2.gz OPIRXIPVCIKGBO-SECBINFHSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C)[C@H]2COC(C)(C)C2)s1 ZINC000662255108 409550590 /nfs/dbraw/zinc/55/05/90/409550590.db2.gz OPIRXIPVCIKGBO-SECBINFHSA-N 1 2 241.360 1.846 20 0 BDADLO C[C@H](c1ccncc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848345 409859192 /nfs/dbraw/zinc/85/91/92/409859192.db2.gz GZTAZMJVFCWOCF-MRVPVSSYSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848345 409859198 /nfs/dbraw/zinc/85/91/98/409859198.db2.gz GZTAZMJVFCWOCF-MRVPVSSYSA-N 1 2 234.259 1.363 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046386185 409968733 /nfs/dbraw/zinc/96/87/33/409968733.db2.gz QBTYSYNAQCCKEU-MWLCHTKSSA-N 1 2 233.315 1.420 20 0 BDADLO OCCOCC[N@H+](CC(F)F)C1CCC1 ZINC000661098780 410194810 /nfs/dbraw/zinc/19/48/10/410194810.db2.gz DYRAVEQEBLITPX-UHFFFAOYSA-N 1 2 223.263 1.115 20 0 BDADLO OCCOCC[N@@H+](CC(F)F)C1CCC1 ZINC000661098780 410194811 /nfs/dbraw/zinc/19/48/11/410194811.db2.gz DYRAVEQEBLITPX-UHFFFAOYSA-N 1 2 223.263 1.115 20 0 BDADLO CO[C@](C)(C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000655401972 410204890 /nfs/dbraw/zinc/20/48/90/410204890.db2.gz NYWRSSHOEYOYPX-PELKAZGASA-N 1 2 237.303 1.402 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CC12CC2)c1[nH]cc[nH+]1 ZINC000655401994 410205179 /nfs/dbraw/zinc/20/51/79/410205179.db2.gz RERYZJDYUAVDSA-SFYZADRCSA-N 1 2 205.261 1.387 20 0 BDADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767867 410417072 /nfs/dbraw/zinc/41/70/72/410417072.db2.gz GVCVBQBTYDIWAV-VHSXEESVSA-N 1 2 249.314 1.309 20 0 BDADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650767867 410417079 /nfs/dbraw/zinc/41/70/79/410417079.db2.gz GVCVBQBTYDIWAV-VHSXEESVSA-N 1 2 249.314 1.309 20 0 BDADLO CO[C@@H](CNc1cccc[nH+]1)[C@H]1CCOC1 ZINC000664155598 410468911 /nfs/dbraw/zinc/46/89/11/410468911.db2.gz ADIIREOBMLJBDN-QWRGUYRKSA-N 1 2 222.288 1.545 20 0 BDADLO CCO[C@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000664280196 410550084 /nfs/dbraw/zinc/55/00/84/410550084.db2.gz JYXQFUHLKGIQPL-LJGSYFOKSA-N 1 2 242.710 1.692 20 0 BDADLO CCO[C@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000664280196 410550090 /nfs/dbraw/zinc/55/00/90/410550090.db2.gz JYXQFUHLKGIQPL-LJGSYFOKSA-N 1 2 242.710 1.692 20 0 BDADLO O[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000661405197 410617699 /nfs/dbraw/zinc/61/76/99/410617699.db2.gz CQRUXZMUOTVLAH-WDEREUQCSA-N 1 2 249.301 1.648 20 0 BDADLO O[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000661405197 410617702 /nfs/dbraw/zinc/61/77/02/410617702.db2.gz CQRUXZMUOTVLAH-WDEREUQCSA-N 1 2 249.301 1.648 20 0 BDADLO CC[C@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000661413807 410624949 /nfs/dbraw/zinc/62/49/49/410624949.db2.gz PKDHAVLYWGVJGU-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)OC ZINC000661413807 410624954 /nfs/dbraw/zinc/62/49/54/410624954.db2.gz PKDHAVLYWGVJGU-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2cncs2)o1 ZINC000661528855 410726568 /nfs/dbraw/zinc/72/65/68/410726568.db2.gz QSYNGFLXYSTXLI-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2cncs2)o1 ZINC000661528855 410726575 /nfs/dbraw/zinc/72/65/75/410726575.db2.gz QSYNGFLXYSTXLI-UHFFFAOYSA-N 1 2 238.316 1.509 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CC1(C)C)n1cc[nH+]c1 ZINC000651165388 410840347 /nfs/dbraw/zinc/84/03/47/410840347.db2.gz CFMHPRJTCQENKY-NXEZZACHSA-N 1 2 221.304 1.749 20 0 BDADLO CC(C)C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000284009082 167013783 /nfs/dbraw/zinc/01/37/83/167013783.db2.gz ICJCVOWYOVJLEK-LLVKDONJSA-N 1 2 231.303 1.535 20 0 BDADLO CC(C)CNc1cc(C(N)=S)cc[nH+]1 ZINC000019503936 167014974 /nfs/dbraw/zinc/01/49/74/167014974.db2.gz AZRMYFDLSWJLCF-UHFFFAOYSA-N 1 2 209.318 1.784 20 0 BDADLO CC(C)N1CC[C@H]([N@H+](C)Cc2cccnc2)C1=O ZINC000132633740 167025660 /nfs/dbraw/zinc/02/56/60/167025660.db2.gz DNQXMHSZMAPEQX-ZDUSSCGKSA-N 1 2 247.342 1.523 20 0 BDADLO CC(C)N1CC[C@H]([N@@H+](C)Cc2cccnc2)C1=O ZINC000132633740 167025662 /nfs/dbraw/zinc/02/56/62/167025662.db2.gz DNQXMHSZMAPEQX-ZDUSSCGKSA-N 1 2 247.342 1.523 20 0 BDADLO CC(C)N1C[C@@H](Nc2cccc[nH+]2)CC1=O ZINC000264659906 167031124 /nfs/dbraw/zinc/03/11/24/167031124.db2.gz LNJIPGYWGQQYDS-JTQLQIEISA-N 1 2 219.288 1.503 20 0 BDADLO O=C(c1ccccc1O)N1CCc2[nH]c[nH+]c2C1 ZINC000396865426 410904281 /nfs/dbraw/zinc/90/42/81/410904281.db2.gz UMDMGSGSPBHJJY-UHFFFAOYSA-N 1 2 243.266 1.314 20 0 BDADLO O=C(c1ccccc1O)N1CCc2[nH+]c[nH]c2C1 ZINC000396865426 410904287 /nfs/dbraw/zinc/90/42/87/410904287.db2.gz UMDMGSGSPBHJJY-UHFFFAOYSA-N 1 2 243.266 1.314 20 0 BDADLO CC(C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000119033378 167069157 /nfs/dbraw/zinc/06/91/57/167069157.db2.gz ZVSULCPNZYSNEG-LBPRGKRZSA-N 1 2 249.314 1.653 20 0 BDADLO CC(C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000171677660 167077754 /nfs/dbraw/zinc/07/77/54/167077754.db2.gz NSMKCTJWCOBBSN-NSHDSACASA-N 1 2 248.330 1.368 20 0 BDADLO CC(C)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000128615668 167145780 /nfs/dbraw/zinc/14/57/80/167145780.db2.gz YEZCIQCCJMMRKW-UHFFFAOYSA-N 1 2 208.305 1.935 20 0 BDADLO COc1ccc(N[C@@H](C)Cc2cnccn2)[nH+]c1 ZINC000651300076 410907492 /nfs/dbraw/zinc/90/74/92/410907492.db2.gz TWQXYXHDFNENNV-JTQLQIEISA-N 1 2 244.298 1.923 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1ncnn1C ZINC000336689576 167208753 /nfs/dbraw/zinc/20/87/53/167208753.db2.gz ZKVIMKPPBRNFJE-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1ncnn1C ZINC000336689576 167208756 /nfs/dbraw/zinc/20/87/56/167208756.db2.gz ZKVIMKPPBRNFJE-UHFFFAOYSA-N 1 2 226.324 1.062 20 0 BDADLO c1nncn1CC1CCN(c2cccc[nH+]2)CC1 ZINC000651428015 411015177 /nfs/dbraw/zinc/01/51/77/411015177.db2.gz YVQDPRFGKDUEOS-UHFFFAOYSA-N 1 2 243.314 1.590 20 0 BDADLO CC(C)(C)c1nc(N[C@H](CO)CCF)cc[nH+]1 ZINC000651463337 411046336 /nfs/dbraw/zinc/04/63/36/411046336.db2.gz QENDZMQKORKPID-VIFPVBQESA-N 1 2 241.310 1.328 20 0 BDADLO C[C@H](CCO)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000651472331 411051754 /nfs/dbraw/zinc/05/17/54/411051754.db2.gz VKZJXBURHQCHBP-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO C[C@H](CCO)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000651472331 411051758 /nfs/dbraw/zinc/05/17/58/411051758.db2.gz VKZJXBURHQCHBP-SECBINFHSA-N 1 2 236.319 1.258 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@H]1C1CCCC1 ZINC000651596375 411127850 /nfs/dbraw/zinc/12/78/50/411127850.db2.gz HIAFWAVFPZWBRI-QWRGUYRKSA-N 1 2 246.310 1.974 20 0 BDADLO CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000047703728 411163338 /nfs/dbraw/zinc/16/33/38/411163338.db2.gz XEDBYPCNFDBGGN-UHFFFAOYSA-N 1 2 248.330 1.501 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(O)cc2)no1 ZINC000044692167 411139317 /nfs/dbraw/zinc/13/93/17/411139317.db2.gz XRSFPZSYAXXPDV-UHFFFAOYSA-N 1 2 218.256 1.978 20 0 BDADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)CC(C)(C)O1 ZINC000045705864 411148507 /nfs/dbraw/zinc/14/85/07/411148507.db2.gz SOXVJFGSSYSPPZ-SNVBAGLBSA-N 1 2 236.315 1.578 20 0 BDADLO C[C@H](CC(=O)N1CC(C)(F)C1)n1cc[nH+]c1 ZINC000651946733 411158176 /nfs/dbraw/zinc/15/81/76/411158176.db2.gz XNGIOYLXPAGDKN-SECBINFHSA-N 1 2 225.267 1.405 20 0 BDADLO CC(C)c1nc(NC[C@@H](O)C(F)F)cc[nH+]1 ZINC000336735637 167686842 /nfs/dbraw/zinc/68/68/42/167686842.db2.gz IFXZBOXCMKJRBI-SSDOTTSWSA-N 1 2 231.246 1.060 20 0 BDADLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCOCC1 ZINC000052635245 411101869 /nfs/dbraw/zinc/10/18/69/411101869.db2.gz SYDYYVIVADAXLI-LBPRGKRZSA-N 1 2 240.347 1.110 20 0 BDADLO Cc1c(N[C@@H]2CCCn3cc[nH+]c32)cnn1C ZINC000655748930 411161962 /nfs/dbraw/zinc/16/19/62/411161962.db2.gz NDADXDCIKQUMPN-SNVBAGLBSA-N 1 2 231.303 1.872 20 0 BDADLO Cn1ccc(C[NH2+][C@@H]2CCCn3nccc32)n1 ZINC000657934533 411171872 /nfs/dbraw/zinc/17/18/72/411171872.db2.gz CWEUHKBWRFSVEC-LLVKDONJSA-N 1 2 231.303 1.241 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000657934534 411172137 /nfs/dbraw/zinc/17/21/37/411172137.db2.gz CWEUHKBWRFSVEC-NSHDSACASA-N 1 2 231.303 1.241 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC[C@H](CO)C1 ZINC000656105264 411178947 /nfs/dbraw/zinc/17/89/47/411178947.db2.gz SVISMFADHMUTDY-JTQLQIEISA-N 1 2 237.303 1.002 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1nnc(C)o1 ZINC000656109661 411180445 /nfs/dbraw/zinc/18/04/45/411180445.db2.gz CDZGGBRXEBSNBR-UHFFFAOYSA-N 1 2 235.247 1.097 20 0 BDADLO Cc1ccc(N[C@H](C)Cn2cncn2)c(C)[nH+]1 ZINC000657955096 411180597 /nfs/dbraw/zinc/18/05/97/411180597.db2.gz YTCQIWJGQPUWIS-SNVBAGLBSA-N 1 2 231.303 1.791 20 0 BDADLO CCC[C@](C)(O)CNc1nc[nH+]c(C)c1OC ZINC000656125466 411183376 /nfs/dbraw/zinc/18/33/76/411183376.db2.gz OGROOJAJHAXYOP-LBPRGKRZSA-N 1 2 239.319 1.757 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](C)C[C@H](C)O ZINC000656128427 411184091 /nfs/dbraw/zinc/18/40/91/411184091.db2.gz RAPMXZJUXNZTSX-SCZZXKLOSA-N 1 2 223.320 1.912 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCC[C@H]1O ZINC000656128826 411184204 /nfs/dbraw/zinc/18/42/04/411184204.db2.gz CNVHNVZDXBUPMP-VHSXEESVSA-N 1 2 237.303 1.367 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC[C@@H](C)CO ZINC000656150172 411187274 /nfs/dbraw/zinc/18/72/74/411187274.db2.gz JYKKNLSBJPTSQV-SECBINFHSA-N 1 2 239.319 1.614 20 0 BDADLO CC[C@@]1(O)CCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656166170 411190478 /nfs/dbraw/zinc/19/04/78/411190478.db2.gz FLJLQXZQKJDUMU-GFCCVEGCSA-N 1 2 237.303 1.145 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H](C)C[C@@H](C)O ZINC000656156704 411190518 /nfs/dbraw/zinc/19/05/18/411190518.db2.gz RHNDOIXSVZPDIR-JGVFFNPUSA-N 1 2 225.292 1.365 20 0 BDADLO c1ncc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)[nH]1 ZINC000653812671 411190936 /nfs/dbraw/zinc/19/09/36/411190936.db2.gz NMWQGHNKEMPBQK-CYBMUJFWSA-N 1 2 235.331 1.943 20 0 BDADLO c1ncc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)[nH]1 ZINC000653812671 411190939 /nfs/dbraw/zinc/19/09/39/411190939.db2.gz NMWQGHNKEMPBQK-CYBMUJFWSA-N 1 2 235.331 1.943 20 0 BDADLO COc1c(C)[nH+]cnc1NCCCCCO ZINC000656182362 411194370 /nfs/dbraw/zinc/19/43/70/411194370.db2.gz DVKGQWOFHMIWGM-UHFFFAOYSA-N 1 2 225.292 1.368 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CC[C@@H](C)O1 ZINC000656199067 411201932 /nfs/dbraw/zinc/20/19/32/411201932.db2.gz ILOFHRWIDWAFDS-PSASIEDQSA-N 1 2 237.303 1.773 20 0 BDADLO c1cc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000658024607 411202453 /nfs/dbraw/zinc/20/24/53/411202453.db2.gz MNOIAXPQYFGIJF-WDEREUQCSA-N 1 2 243.314 1.649 20 0 BDADLO COCCCCN(C)c1nc(C)[nH+]cc1C ZINC000656205049 411207361 /nfs/dbraw/zinc/20/73/61/411207361.db2.gz XOWJVTYCJQOVNP-UHFFFAOYSA-N 1 2 223.320 1.956 20 0 BDADLO Cc1noc(C[N@@H+](C)CCOCCC(C)C)n1 ZINC000653890469 411209414 /nfs/dbraw/zinc/20/94/14/411209414.db2.gz BDFMLPRHBAWJPE-UHFFFAOYSA-N 1 2 241.335 1.873 20 0 BDADLO Cc1noc(C[N@H+](C)CCOCCC(C)C)n1 ZINC000653890469 411209416 /nfs/dbraw/zinc/20/94/16/411209416.db2.gz BDFMLPRHBAWJPE-UHFFFAOYSA-N 1 2 241.335 1.873 20 0 BDADLO Cc1nc(N2CCn3nncc3C2)c(C)c(C)[nH+]1 ZINC000656208419 411209830 /nfs/dbraw/zinc/20/98/30/411209830.db2.gz RNMIXHCVQCOQCC-UHFFFAOYSA-N 1 2 244.302 1.014 20 0 BDADLO Cn1nnc2c1CC[C@@H](Nc1cccc[nH+]1)C2 ZINC000656219466 411212266 /nfs/dbraw/zinc/21/22/66/411212266.db2.gz SIOUPCMYNYTELV-SECBINFHSA-N 1 2 229.287 1.180 20 0 BDADLO C[C@H](CC(=O)N1C[C@@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC000652365097 411217808 /nfs/dbraw/zinc/21/78/08/411217808.db2.gz UVDMHQMVLCLLLT-MXWKQRLJSA-N 1 2 221.304 1.701 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652409701 411232122 /nfs/dbraw/zinc/23/21/22/411232122.db2.gz LSLMMTCTUGQONE-JGVFFNPUSA-N 1 2 207.277 1.417 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)n1cccn1 ZINC000652410462 411232821 /nfs/dbraw/zinc/23/28/21/411232821.db2.gz NJDFQYYHYGEJID-VIFPVBQESA-N 1 2 247.302 1.219 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CCC23CCCC3)n1 ZINC000653776348 411165712 /nfs/dbraw/zinc/16/57/12/411165712.db2.gz AOABVNMHFFHAAD-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CCC23CCCC3)n1 ZINC000653776348 411165715 /nfs/dbraw/zinc/16/57/15/411165715.db2.gz AOABVNMHFFHAAD-UHFFFAOYSA-N 1 2 249.362 1.947 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2CO)c(C)o1 ZINC000660154795 411267749 /nfs/dbraw/zinc/26/77/49/411267749.db2.gz MGQKQOINNXXEES-JTQLQIEISA-N 1 2 242.344 1.201 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H]2CO)c(C)o1 ZINC000660154795 411267753 /nfs/dbraw/zinc/26/77/53/411267753.db2.gz MGQKQOINNXXEES-JTQLQIEISA-N 1 2 242.344 1.201 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cnn[nH]2)CC[C@@H]1C ZINC000660159695 411270303 /nfs/dbraw/zinc/27/03/03/411270303.db2.gz WXEQCIIMXXXXRY-UWVGGRQHSA-N 1 2 208.309 1.325 20 0 BDADLO C[C@H]1C[N@H+](CCc2cnn[nH]2)CC[C@@H]1C ZINC000660159695 411270308 /nfs/dbraw/zinc/27/03/08/411270308.db2.gz WXEQCIIMXXXXRY-UWVGGRQHSA-N 1 2 208.309 1.325 20 0 BDADLO CCc1ncc(C[NH2+]Cc2ncc[nH]2)s1 ZINC000070646323 411271838 /nfs/dbraw/zinc/27/18/38/411271838.db2.gz OSLOLFPAYKEVRN-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C(C)C)C2CC2)[nH]1 ZINC000658158803 411272633 /nfs/dbraw/zinc/27/26/33/411272633.db2.gz JRKWZNCOTOAZHL-GFCCVEGCSA-N 1 2 238.335 1.475 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCC12CCCC2 ZINC000652569491 411275280 /nfs/dbraw/zinc/27/52/80/411275280.db2.gz SXWVTEBFEOMDJP-UHFFFAOYSA-N 1 2 233.315 1.887 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCC12CCCC2 ZINC000652569491 411275284 /nfs/dbraw/zinc/27/52/84/411275284.db2.gz SXWVTEBFEOMDJP-UHFFFAOYSA-N 1 2 233.315 1.887 20 0 BDADLO c1csc(C[NH+]2CC3(C2)CCCOC3)n1 ZINC000656684800 411328119 /nfs/dbraw/zinc/32/81/19/411328119.db2.gz NNHBPWYBZHABHC-UHFFFAOYSA-N 1 2 224.329 1.756 20 0 BDADLO CCn1nncc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000656494569 411284088 /nfs/dbraw/zinc/28/40/88/411284088.db2.gz NZMAZUROFAZDMB-GXSJLCMTSA-N 1 2 226.299 1.478 20 0 BDADLO CCn1nncc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000656494569 411284090 /nfs/dbraw/zinc/28/40/90/411284090.db2.gz NZMAZUROFAZDMB-GXSJLCMTSA-N 1 2 226.299 1.478 20 0 BDADLO CC(C)c1noc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000653738788 411285775 /nfs/dbraw/zinc/28/57/75/411285775.db2.gz XKRNLQAFSLVFER-DTWKUNHWSA-N 1 2 239.319 1.442 20 0 BDADLO C[C@@H](O)C[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000656496812 411287844 /nfs/dbraw/zinc/28/78/44/411287844.db2.gz ZIULTLDCZZPZDH-ZJUUUORDSA-N 1 2 247.298 1.768 20 0 BDADLO CO[C@]1(CNc2ccc(C)[nH+]c2)CCOC1 ZINC000653470005 411291675 /nfs/dbraw/zinc/29/16/75/411291675.db2.gz QZJXLWFMDYRKFI-LBPRGKRZSA-N 1 2 222.288 1.607 20 0 BDADLO COCc1cc(C[NH+]2CC(C3CC3)C2)no1 ZINC000656630313 411311391 /nfs/dbraw/zinc/31/13/91/411311391.db2.gz ZAPDCHLIFUPFDY-UHFFFAOYSA-N 1 2 222.288 1.663 20 0 BDADLO CC[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659838150 411317267 /nfs/dbraw/zinc/31/72/67/411317267.db2.gz METJKMDLFKETNM-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCO1 ZINC000659838150 411317271 /nfs/dbraw/zinc/31/72/71/411317271.db2.gz METJKMDLFKETNM-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)o1 ZINC000656682410 411321142 /nfs/dbraw/zinc/32/11/42/411321142.db2.gz CXKURFYLTYZRAS-SVRRBLITSA-N 1 2 247.245 1.453 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)o1 ZINC000656682405 411321315 /nfs/dbraw/zinc/32/13/15/411321315.db2.gz CXKURFYLTYZRAS-HTRCEHHLSA-N 1 2 247.245 1.453 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)o1 ZINC000656682411 411321678 /nfs/dbraw/zinc/32/16/78/411321678.db2.gz CXKURFYLTYZRAS-XPUUQOCRSA-N 1 2 247.245 1.453 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C2(CCC2)CO1 ZINC000652880887 411249629 /nfs/dbraw/zinc/24/96/29/411249629.db2.gz MRUFZZCLCCAHCN-LLVKDONJSA-N 1 2 249.314 1.053 20 0 BDADLO COCC[N@H+](C)Cc1cn(CC(C)C)nn1 ZINC000656443215 411250742 /nfs/dbraw/zinc/25/07/42/411250742.db2.gz XGEKXKHSNMVQSM-UHFFFAOYSA-N 1 2 226.324 1.012 20 0 BDADLO COCC[N@@H+](C)Cc1cn(CC(C)C)nn1 ZINC000656443215 411250746 /nfs/dbraw/zinc/25/07/46/411250746.db2.gz XGEKXKHSNMVQSM-UHFFFAOYSA-N 1 2 226.324 1.012 20 0 BDADLO CCc1nnc([C@@H](C)N(C)Cc2[nH+]ccn2C)[nH]1 ZINC000660135109 411252829 /nfs/dbraw/zinc/25/28/29/411252829.db2.gz BQCIBPHKLWCLBT-SECBINFHSA-N 1 2 248.334 1.294 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1ncn(C)n1 ZINC000656775542 411355834 /nfs/dbraw/zinc/35/58/34/411355834.db2.gz WBIMZMAXMXQAEI-UHFFFAOYSA-N 1 2 220.280 1.205 20 0 BDADLO COCC1([NH2+]CC(F)F)CCOCC1 ZINC000660636299 411364004 /nfs/dbraw/zinc/36/40/04/411364004.db2.gz QOMINOPYBPDFQP-UHFFFAOYSA-N 1 2 209.236 1.037 20 0 BDADLO COC(C[N@@H+]1CCC[C@H]1c1ncc[nH]1)OC ZINC000372907066 411340314 /nfs/dbraw/zinc/34/03/14/411340314.db2.gz VUHOXJXMTNVSCM-VIFPVBQESA-N 1 2 225.292 1.166 20 0 BDADLO COC(C[N@H+]1CCC[C@H]1c1ncc[nH]1)OC ZINC000372907066 411340318 /nfs/dbraw/zinc/34/03/18/411340318.db2.gz VUHOXJXMTNVSCM-VIFPVBQESA-N 1 2 225.292 1.166 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661975547 411341071 /nfs/dbraw/zinc/34/10/71/411341071.db2.gz XYDDAIKXQIEQRE-RKDXNWHRSA-N 1 2 206.293 1.209 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000661975547 411341076 /nfs/dbraw/zinc/34/10/76/411341076.db2.gz XYDDAIKXQIEQRE-RKDXNWHRSA-N 1 2 206.293 1.209 20 0 BDADLO Cn1c[nH+]c(CN2CCOc3ccccc3C2)c1 ZINC000659849549 411341424 /nfs/dbraw/zinc/34/14/24/411341424.db2.gz IYXRWKRNGWFTPP-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO Cn1cnc(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000659849549 411341428 /nfs/dbraw/zinc/34/14/28/411341428.db2.gz IYXRWKRNGWFTPP-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO Cn1cnc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000659849549 411341431 /nfs/dbraw/zinc/34/14/31/411341431.db2.gz IYXRWKRNGWFTPP-UHFFFAOYSA-N 1 2 243.310 1.815 20 0 BDADLO CC1(CNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000357781039 168032093 /nfs/dbraw/zinc/03/20/93/168032093.db2.gz RMEDOOWMYVUYAA-UHFFFAOYSA-N 1 2 248.330 1.593 20 0 BDADLO CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000276568990 168055408 /nfs/dbraw/zinc/05/54/08/168055408.db2.gz KEKISKXIWIROCB-ONEGZZNKSA-N 1 2 205.261 1.482 20 0 BDADLO CC1(NC(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000264007125 168056374 /nfs/dbraw/zinc/05/63/74/168056374.db2.gz ADZWNAOWJPHTQQ-UHFFFAOYSA-N 1 2 236.319 1.515 20 0 BDADLO CC1(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000366084630 168058405 /nfs/dbraw/zinc/05/84/05/168058405.db2.gz GYVYJGOPDCBIFJ-VIFPVBQESA-N 1 2 248.330 1.509 20 0 BDADLO CC1(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000366084630 168058407 /nfs/dbraw/zinc/05/84/07/168058407.db2.gz GYVYJGOPDCBIFJ-VIFPVBQESA-N 1 2 248.330 1.509 20 0 BDADLO CC1=C(C)C[N@H+](Cc2nnnn2C(C)(C)C)CC1 ZINC000361627089 168083845 /nfs/dbraw/zinc/08/38/45/168083845.db2.gz ZJYZOLVZKOHRLT-UHFFFAOYSA-N 1 2 249.362 1.970 20 0 BDADLO CC1=C(C)C[N@@H+](Cc2nnnn2C(C)(C)C)CC1 ZINC000361627089 168083846 /nfs/dbraw/zinc/08/38/46/168083846.db2.gz ZJYZOLVZKOHRLT-UHFFFAOYSA-N 1 2 249.362 1.970 20 0 BDADLO CC1=CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000373834542 168096792 /nfs/dbraw/zinc/09/67/92/168096792.db2.gz FJWKICDXAONNHV-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO CC1=C[C@H](C)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000336606225 168125996 /nfs/dbraw/zinc/12/59/96/168125996.db2.gz IAKCILSOOVIYDL-NSHDSACASA-N 1 2 233.315 1.698 20 0 BDADLO CC1CC(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000289111899 168140616 /nfs/dbraw/zinc/14/06/16/168140616.db2.gz GPANRVBHQHJKTL-UHFFFAOYSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC(C)C1 ZINC000267757015 168142582 /nfs/dbraw/zinc/14/25/82/168142582.db2.gz YHYYDYAWZKOEPW-HSOILSAZSA-N 1 2 236.319 1.369 20 0 BDADLO CC1CC(NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000267669772 168145566 /nfs/dbraw/zinc/14/55/66/168145566.db2.gz FPFPDEABGSNHLB-UHFFFAOYSA-N 1 2 229.283 1.863 20 0 BDADLO Cc1nc(C[N@H+]2CCSC[C@@H]2C)co1 ZINC000659943826 411388238 /nfs/dbraw/zinc/38/82/38/411388238.db2.gz FNVPGBCIXXTQAJ-QMMMGPOBSA-N 1 2 212.318 1.920 20 0 BDADLO Cc1nc(C[N@@H+]2CCSC[C@@H]2C)co1 ZINC000659943826 411388240 /nfs/dbraw/zinc/38/82/40/411388240.db2.gz FNVPGBCIXXTQAJ-QMMMGPOBSA-N 1 2 212.318 1.920 20 0 BDADLO CCC(=CC(=O)NCCn1cc[nH+]c1)CC ZINC000268452440 168194055 /nfs/dbraw/zinc/19/40/55/168194055.db2.gz RRBCXLUDBPKPBM-UHFFFAOYSA-N 1 2 221.304 1.746 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000132119576 168223203 /nfs/dbraw/zinc/22/32/03/168223203.db2.gz NNOAQJWBZPQQSA-SNVBAGLBSA-N 1 2 234.303 1.208 20 0 BDADLO CCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000336529697 168231737 /nfs/dbraw/zinc/23/17/37/168231737.db2.gz FAIMIFKHLYCIAR-JTQLQIEISA-N 1 2 221.304 1.595 20 0 BDADLO CCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000043731546 168232930 /nfs/dbraw/zinc/23/29/30/168232930.db2.gz KUVQWPAUYMJIMT-UHFFFAOYSA-N 1 2 233.315 1.708 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2cnco2)c[nH+]1 ZINC000654380178 411382931 /nfs/dbraw/zinc/38/29/31/411382931.db2.gz ITTXIXLLBUCISL-UHFFFAOYSA-N 1 2 231.255 1.616 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000659933571 411386228 /nfs/dbraw/zinc/38/62/28/411386228.db2.gz HMBZPHIFLQTQKR-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000659933571 411386231 /nfs/dbraw/zinc/38/62/31/411386231.db2.gz HMBZPHIFLQTQKR-UWVGGRQHSA-N 1 2 235.274 1.521 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2C)CO1 ZINC000657309431 411459658 /nfs/dbraw/zinc/45/96/58/411459658.db2.gz NHSUZNZVHFVHHJ-GHMZBOCLSA-N 1 2 209.293 1.375 20 0 BDADLO CCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000657068984 411399967 /nfs/dbraw/zinc/39/99/67/411399967.db2.gz IXWXIWPPMFCEKE-UHFFFAOYSA-N 1 2 233.315 1.708 20 0 BDADLO Cc1cc(C)c(C(=O)N(C)Cc2[nH+]ccn2C)o1 ZINC000267272224 411420225 /nfs/dbraw/zinc/42/02/25/411420225.db2.gz SAMAGNKBAWDMLW-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO CC[N@H+](CC(=O)N1CCC1)Cc1ccccn1 ZINC000268211720 411423009 /nfs/dbraw/zinc/42/30/09/411423009.db2.gz UDIJRVYAOBHGQU-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CC[N@@H+](CC(=O)N1CCC1)Cc1ccccn1 ZINC000268211720 411423012 /nfs/dbraw/zinc/42/30/12/411423012.db2.gz UDIJRVYAOBHGQU-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CCC3(CCC3)C2)n1 ZINC000653568712 411424635 /nfs/dbraw/zinc/42/46/35/411424635.db2.gz HSCRTXWMZKQROH-UHFFFAOYSA-N 1 2 249.362 1.804 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000653568712 411424638 /nfs/dbraw/zinc/42/46/38/411424638.db2.gz HSCRTXWMZKQROH-UHFFFAOYSA-N 1 2 249.362 1.804 20 0 BDADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)N1CCC1 ZINC000271398325 411429812 /nfs/dbraw/zinc/42/98/12/411429812.db2.gz STBDUWTYEWBYAL-UHFFFAOYSA-N 1 2 245.326 1.278 20 0 BDADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)N1CCC1 ZINC000271398325 411429816 /nfs/dbraw/zinc/42/98/16/411429816.db2.gz STBDUWTYEWBYAL-UHFFFAOYSA-N 1 2 245.326 1.278 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+]1CC=CCC1 ZINC000653609769 411438571 /nfs/dbraw/zinc/43/85/71/411438571.db2.gz CQOWZYLISOUWIW-SECBINFHSA-N 1 2 204.277 1.382 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+]1CC=CCC1 ZINC000653609769 411438574 /nfs/dbraw/zinc/43/85/74/411438574.db2.gz CQOWZYLISOUWIW-SECBINFHSA-N 1 2 204.277 1.382 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)[C@H](C)CO1 ZINC000659822063 411463598 /nfs/dbraw/zinc/46/35/98/411463598.db2.gz LCMKIGIBMVEZTI-BBBLOLIVSA-N 1 2 235.274 1.520 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)[C@H](C)CO1 ZINC000659822063 411463600 /nfs/dbraw/zinc/46/36/00/411463600.db2.gz LCMKIGIBMVEZTI-BBBLOLIVSA-N 1 2 235.274 1.520 20 0 BDADLO Cc1[nH]c(CNCc2ccco2)[nH+]c1C ZINC000657286594 411445571 /nfs/dbraw/zinc/44/55/71/411445571.db2.gz AINWVVQAKLRZHC-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccco2)[nH]c1C ZINC000657286594 411445572 /nfs/dbraw/zinc/44/55/72/411445572.db2.gz AINWVVQAKLRZHC-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO c1coc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000657287499 411446729 /nfs/dbraw/zinc/44/67/29/411446729.db2.gz OQBZUMJNTMSGNG-UHFFFAOYSA-N 1 2 217.272 1.712 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000279435327 411448142 /nfs/dbraw/zinc/44/81/42/411448142.db2.gz MTYUGUIYPAXRHE-RKDXNWHRSA-N 1 2 223.320 1.811 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000279435327 411448147 /nfs/dbraw/zinc/44/81/47/411448147.db2.gz MTYUGUIYPAXRHE-RKDXNWHRSA-N 1 2 223.320 1.811 20 0 BDADLO COC(C)(C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654837277 411452882 /nfs/dbraw/zinc/45/28/82/411452882.db2.gz HJEDXSYUWGKROK-VIFPVBQESA-N 1 2 239.319 1.130 20 0 BDADLO COC(C)(C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654837277 411452886 /nfs/dbraw/zinc/45/28/86/411452886.db2.gz HJEDXSYUWGKROK-VIFPVBQESA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657334936 411472012 /nfs/dbraw/zinc/47/20/12/411472012.db2.gz IIYVWPTXTMEUKM-WPRPVWTQSA-N 1 2 238.335 1.111 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000659844699 411474875 /nfs/dbraw/zinc/47/48/75/411474875.db2.gz FNUQHTAABSMERW-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCO2)[nH]1 ZINC000659844699 411474880 /nfs/dbraw/zinc/47/48/80/411474880.db2.gz FNUQHTAABSMERW-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(C)n2C)[nH]n1 ZINC000657368081 411480197 /nfs/dbraw/zinc/48/01/97/411480197.db2.gz NINMTHIRCWMJQJ-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](CO)c2ccccc2C)n1 ZINC000657382695 411487866 /nfs/dbraw/zinc/48/78/66/411487866.db2.gz IUGGPXYVGIHEQZ-CYBMUJFWSA-N 1 2 245.326 1.850 20 0 BDADLO COc1cc(C[N@@H+]2CCS[C@H](C)C2)on1 ZINC000659878900 411488407 /nfs/dbraw/zinc/48/84/07/411488407.db2.gz PKMMLUOVTWDNQZ-MRVPVSSYSA-N 1 2 228.317 1.621 20 0 BDADLO COc1cc(C[N@H+]2CCS[C@H](C)C2)on1 ZINC000659878900 411488409 /nfs/dbraw/zinc/48/84/09/411488409.db2.gz PKMMLUOVTWDNQZ-MRVPVSSYSA-N 1 2 228.317 1.621 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]1C ZINC000655076171 411489674 /nfs/dbraw/zinc/48/96/74/411489674.db2.gz IZIWPUDQKZGJQG-KKZNHRDASA-N 1 2 221.304 1.503 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]1C ZINC000655076171 411489676 /nfs/dbraw/zinc/48/96/76/411489676.db2.gz IZIWPUDQKZGJQG-KKZNHRDASA-N 1 2 221.304 1.503 20 0 BDADLO Cc1c[nH]c(CNc2ccc(CCO)cc2)[nH+]1 ZINC000657389777 411490849 /nfs/dbraw/zinc/49/08/49/411490849.db2.gz NYFUVXCPKYORQM-UHFFFAOYSA-N 1 2 231.299 1.865 20 0 BDADLO O=C(Cc1ccccc1)NCCn1cc[nH+]c1 ZINC000067182203 411497362 /nfs/dbraw/zinc/49/73/62/411497362.db2.gz IZVPUXJEGBVWPM-UHFFFAOYSA-N 1 2 229.283 1.242 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cn(C)cn2)C[C@@H](C)O1 ZINC000659918625 411498268 /nfs/dbraw/zinc/49/82/68/411498268.db2.gz LVTNXDRAZXPVGL-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cn(C)cn2)C[C@@H](C)O1 ZINC000659918625 411498269 /nfs/dbraw/zinc/49/82/69/411498269.db2.gz LVTNXDRAZXPVGL-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000659918625 411498272 /nfs/dbraw/zinc/49/82/72/411498272.db2.gz LVTNXDRAZXPVGL-PWSUYJOCSA-N 1 2 223.320 1.419 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1n[nH]cc1C ZINC000655134303 411501396 /nfs/dbraw/zinc/50/13/96/411501396.db2.gz CZVZZBMCIKRVFH-SECBINFHSA-N 1 2 247.302 1.426 20 0 BDADLO Cc1c(C[NH2+]Cc2nccn2C(C)C)cnn1C ZINC000657420551 411501589 /nfs/dbraw/zinc/50/15/89/411501589.db2.gz ZDQSQCMUAWVQCZ-UHFFFAOYSA-N 1 2 247.346 1.796 20 0 BDADLO COc1cccnc1NCc1c[nH+]c2n1CCC2 ZINC000657420947 411502643 /nfs/dbraw/zinc/50/26/43/411502643.db2.gz IYWVHUGEMXJEPD-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO COC[C@H](C)n1ccc(NCc2[nH]cc(C)[nH+]2)n1 ZINC000657441339 411508733 /nfs/dbraw/zinc/50/87/33/411508733.db2.gz VIDFLIQERGYGOL-JTQLQIEISA-N 1 2 249.318 1.734 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CCc1cnn[nH]1 ZINC000659956374 411511479 /nfs/dbraw/zinc/51/14/79/411511479.db2.gz YJKIKBDSSIXPIJ-LLVKDONJSA-N 1 2 242.326 1.794 20 0 BDADLO C[C@@H]1Cc2ccccc2C[N@H+]1CCc1cnn[nH]1 ZINC000659956374 411511481 /nfs/dbraw/zinc/51/14/81/411511481.db2.gz YJKIKBDSSIXPIJ-LLVKDONJSA-N 1 2 242.326 1.794 20 0 BDADLO CC(C)c1nc(NCC[C@H](O)C(C)C)cc[nH+]1 ZINC000608088013 411512228 /nfs/dbraw/zinc/51/22/28/411512228.db2.gz GGHFDTKPXHBPEJ-NSHDSACASA-N 1 2 237.347 1.841 20 0 BDADLO CCN1OC[C@@H]([N@@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000659985611 411518953 /nfs/dbraw/zinc/51/89/53/411518953.db2.gz NXOSZSCDBSRBGB-QWHCGFSZSA-N 1 2 246.310 1.596 20 0 BDADLO CCN1OC[C@@H]([N@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000659985611 411518954 /nfs/dbraw/zinc/51/89/54/411518954.db2.gz NXOSZSCDBSRBGB-QWHCGFSZSA-N 1 2 246.310 1.596 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](OC)C2)[nH]1 ZINC000659986761 411521577 /nfs/dbraw/zinc/52/15/77/411521577.db2.gz QAHAUYZTHQBNHG-IUCAKERBSA-N 1 2 224.308 1.149 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](OC)C2)[nH]1 ZINC000659986761 411521578 /nfs/dbraw/zinc/52/15/78/411521578.db2.gz QAHAUYZTHQBNHG-IUCAKERBSA-N 1 2 224.308 1.149 20 0 BDADLO OCc1ccc(NCc2cc3n(n2)CCC3)[nH+]c1 ZINC000657469180 411522543 /nfs/dbraw/zinc/52/25/43/411522543.db2.gz VTHWYEJBYOILLA-UHFFFAOYSA-N 1 2 244.298 1.329 20 0 BDADLO CC[C@H](NCc1[nH]cc(C)[nH+]1)C(F)F ZINC000657476837 411525659 /nfs/dbraw/zinc/52/56/59/411525659.db2.gz NTNKNCLUUFNDAL-ZETCQYMHSA-N 1 2 203.236 1.851 20 0 BDADLO CCCc1ncc(CNCc2[nH]cc(C)[nH+]2)o1 ZINC000657484410 411528673 /nfs/dbraw/zinc/52/86/73/411528673.db2.gz CJJCJPDFWFIJJB-UHFFFAOYSA-N 1 2 234.303 1.948 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCOC3)ccn12 ZINC000654948202 411466146 /nfs/dbraw/zinc/46/61/46/411466146.db2.gz ZOQJOHWTJSVGMF-LLVKDONJSA-N 1 2 245.282 1.161 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCC2CC(O)C2)[C@@H](C)C1 ZINC000336782214 170035224 /nfs/dbraw/zinc/03/52/24/170035224.db2.gz WYWDEAOKJIWGCI-WTIISPKJSA-N 1 2 226.364 1.077 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2ccco2)[C@@H](C)C1 ZINC000309499359 170036107 /nfs/dbraw/zinc/03/61/07/170036107.db2.gz ZHDMDLCUKJLJQW-AAEUAGOBSA-N 1 2 222.332 1.752 20 0 BDADLO CCNC(=O)CCCC(=O)Nc1cc[nH+]cc1C ZINC000264446352 170049003 /nfs/dbraw/zinc/04/90/03/170049003.db2.gz NRSPOYQBEYQMQP-UHFFFAOYSA-N 1 2 249.314 1.635 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccccc1F ZINC000042977734 170054954 /nfs/dbraw/zinc/05/49/54/170054954.db2.gz JQEWLCJJFVJFJC-UHFFFAOYSA-N 1 2 224.279 1.394 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000042977734 170054955 /nfs/dbraw/zinc/05/49/55/170054955.db2.gz JQEWLCJJFVJFJC-UHFFFAOYSA-N 1 2 224.279 1.394 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccsc1 ZINC000061800433 170055167 /nfs/dbraw/zinc/05/51/67/170055167.db2.gz IVOWLIHIUJRFRX-UHFFFAOYSA-N 1 2 212.318 1.316 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000061800433 170055168 /nfs/dbraw/zinc/05/51/68/170055168.db2.gz IVOWLIHIUJRFRX-UHFFFAOYSA-N 1 2 212.318 1.316 20 0 BDADLO CCNC(=O)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182690220 170061399 /nfs/dbraw/zinc/06/13/99/170061399.db2.gz JORRIUFJJPGJIU-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCNC(=O)C[N@H+]1CCc2c(cccc2OC)C1 ZINC000182690220 170061401 /nfs/dbraw/zinc/06/14/01/170061401.db2.gz JORRIUFJJPGJIU-UHFFFAOYSA-N 1 2 248.326 1.189 20 0 BDADLO CCNC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000299149684 170065875 /nfs/dbraw/zinc/06/58/75/170065875.db2.gz WVPOOHCBIYOWFJ-JTQLQIEISA-N 1 2 240.303 1.001 20 0 BDADLO O=C1NCC[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000657524965 411543202 /nfs/dbraw/zinc/54/32/02/411543202.db2.gz VUMGHFMVKJSHDK-QMMMGPOBSA-N 1 2 240.690 1.024 20 0 BDADLO CCNC(=O)[C@@H]([NH2+]Cc1ncc(C)o1)C(C)C ZINC000293238011 170092189 /nfs/dbraw/zinc/09/21/89/170092189.db2.gz LBUAQWWTLLYTBT-NSHDSACASA-N 1 2 239.319 1.233 20 0 BDADLO CCNC(=O)[C@H]([NH2+]Cc1ncc(C)o1)C(C)C ZINC000339314854 170098136 /nfs/dbraw/zinc/09/81/36/170098136.db2.gz LBUAQWWTLLYTBT-LLVKDONJSA-N 1 2 239.319 1.233 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)o1 ZINC000657569552 411553629 /nfs/dbraw/zinc/55/36/29/411553629.db2.gz OZYLXUGKYLGXMS-KCJUWKMLSA-N 1 2 232.287 1.975 20 0 BDADLO Cc1nc(C[N@H+](C)CC2CC=CC2)no1 ZINC000660217365 411555477 /nfs/dbraw/zinc/55/54/77/411555477.db2.gz UJMOJPKLEASLBU-UHFFFAOYSA-N 1 2 207.277 1.776 20 0 BDADLO Cc1nc(C[N@@H+](C)CC2CC=CC2)no1 ZINC000660217365 411555478 /nfs/dbraw/zinc/55/54/78/411555478.db2.gz UJMOJPKLEASLBU-UHFFFAOYSA-N 1 2 207.277 1.776 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCC(C)(C)O1 ZINC000660141506 411545177 /nfs/dbraw/zinc/54/51/77/411545177.db2.gz DPAJGSOFQNCPIY-JTQLQIEISA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCC(C)(C)O1 ZINC000660141506 411545179 /nfs/dbraw/zinc/54/51/79/411545179.db2.gz DPAJGSOFQNCPIY-JTQLQIEISA-N 1 2 223.320 1.799 20 0 BDADLO FC(F)C[N@H+](CCc1cn[nH]n1)CC1CCC1 ZINC000660150755 411547220 /nfs/dbraw/zinc/54/72/20/411547220.db2.gz SSVRNLPOHPGXEN-UHFFFAOYSA-N 1 2 244.289 1.714 20 0 BDADLO FC(F)C[N@@H+](CCc1cn[nH]n1)CC1CCC1 ZINC000660150755 411547222 /nfs/dbraw/zinc/54/72/22/411547222.db2.gz SSVRNLPOHPGXEN-UHFFFAOYSA-N 1 2 244.289 1.714 20 0 BDADLO CC(C)(C)n1nnc(C[NH2+][C@@]23C[C@@H]2CCC3)n1 ZINC000657554075 411549077 /nfs/dbraw/zinc/54/90/77/411549077.db2.gz WJSUVQKVZMYWEX-CABZTGNLSA-N 1 2 235.335 1.460 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]CCc1ccccn1 ZINC000258901189 170187677 /nfs/dbraw/zinc/18/76/77/170187677.db2.gz XUUCKBQQSMYFAU-UHFFFAOYSA-N 1 2 236.315 1.555 20 0 BDADLO CCOC(=O)CCC[N@@H+]1CCC=C(F)C1 ZINC000272409492 170200245 /nfs/dbraw/zinc/20/02/45/170200245.db2.gz FLMBMACTCFOXEJ-UHFFFAOYSA-N 1 2 215.268 1.889 20 0 BDADLO CCOC(=O)CCC[N@H+]1CCC=C(F)C1 ZINC000272409492 170200246 /nfs/dbraw/zinc/20/02/46/170200246.db2.gz FLMBMACTCFOXEJ-UHFFFAOYSA-N 1 2 215.268 1.889 20 0 BDADLO Cc1nc(C[NH2+][C@H](CO)c2ccsc2)co1 ZINC000660303811 411566200 /nfs/dbraw/zinc/56/62/00/411566200.db2.gz WUMDVFMIIXHJQQ-LLVKDONJSA-N 1 2 238.312 1.868 20 0 BDADLO CCOC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000042221951 170217183 /nfs/dbraw/zinc/21/71/83/170217183.db2.gz GKVUYEQZZCUFQU-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO CCOC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000042221951 170217184 /nfs/dbraw/zinc/21/71/84/170217184.db2.gz GKVUYEQZZCUFQU-UHFFFAOYSA-N 1 2 222.288 1.467 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000341910873 170221498 /nfs/dbraw/zinc/22/14/98/170221498.db2.gz MKIPVZJBYYMEMX-WDEREUQCSA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000341910873 170221499 /nfs/dbraw/zinc/22/14/99/170221499.db2.gz MKIPVZJBYYMEMX-WDEREUQCSA-N 1 2 243.347 1.278 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000037472598 170226311 /nfs/dbraw/zinc/22/63/11/170226311.db2.gz UQBXMUJPGFDIAD-NXEZZACHSA-N 1 2 215.293 1.097 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000375728828 170226702 /nfs/dbraw/zinc/22/67/02/170226702.db2.gz DCCBZAFOWCHGNX-YUSALJHKSA-N 1 2 241.331 1.343 20 0 BDADLO Cc1cn2c([nH+]1)CN(Cc1nc(C)oc1C)CC2 ZINC000660242584 411558239 /nfs/dbraw/zinc/55/82/39/411558239.db2.gz QDBHJZYDLIQJGK-UHFFFAOYSA-N 1 2 246.314 1.812 20 0 BDADLO CCOC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000068903711 170248426 /nfs/dbraw/zinc/24/84/26/170248426.db2.gz SKKSFUGHBVYMTD-SSDOTTSWSA-N 1 2 241.316 1.411 20 0 BDADLO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1noc(C)n1 ZINC000274166176 170249354 /nfs/dbraw/zinc/24/93/54/170249354.db2.gz AKDHCXPCOYLQIE-YUMQZZPRSA-N 1 2 241.291 1.055 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)Cn1cccn1 ZINC000084102176 170251184 /nfs/dbraw/zinc/25/11/84/170251184.db2.gz ZHQBTEYJKMRCCV-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2cccc(C)c2)n1 ZINC000657606037 411561077 /nfs/dbraw/zinc/56/10/77/411561077.db2.gz VKSLZPRSDXAZGA-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000360087721 170266192 /nfs/dbraw/zinc/26/61/92/170266192.db2.gz IODMOLUNDSPKKZ-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000360087721 170266193 /nfs/dbraw/zinc/26/61/93/170266193.db2.gz IODMOLUNDSPKKZ-JTQLQIEISA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000373379225 170266690 /nfs/dbraw/zinc/26/66/90/170266690.db2.gz SSVZEQWCYMATRL-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000373379225 170266692 /nfs/dbraw/zinc/26/66/92/170266692.db2.gz SSVZEQWCYMATRL-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)CF ZINC000290200871 170308902 /nfs/dbraw/zinc/30/89/02/170308902.db2.gz PPCIWQUZWZQAAW-QMMMGPOBSA-N 1 2 243.282 1.044 20 0 BDADLO CCOC(CC[NH2+]Cc1ccn[nH]1)OCC ZINC000276244449 170314577 /nfs/dbraw/zinc/31/45/77/170314577.db2.gz QUSNKKXFBDVCMT-UHFFFAOYSA-N 1 2 227.308 1.289 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC1CCC1 ZINC000660368957 411573255 /nfs/dbraw/zinc/57/32/55/411573255.db2.gz KZMSLWAMASVHCX-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC1CCC1 ZINC000660368957 411573257 /nfs/dbraw/zinc/57/32/57/411573257.db2.gz KZMSLWAMASVHCX-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO CO[C@@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)C1CCC1 ZINC000660369506 411573729 /nfs/dbraw/zinc/57/37/29/411573729.db2.gz XCNTVRWRZUUYSD-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)C1CCC1 ZINC000660369506 411573731 /nfs/dbraw/zinc/57/37/31/411573731.db2.gz XCNTVRWRZUUYSD-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CCOC1C[NH+](Cc2cnn(CC)c2)C1 ZINC000297547654 170336399 /nfs/dbraw/zinc/33/63/99/170336399.db2.gz ZGMACIKOTVYWAL-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CC2(CO)CC2)[nH]1 ZINC000660373458 411574637 /nfs/dbraw/zinc/57/46/37/411574637.db2.gz AJBROLYPOJGUEM-VIFPVBQESA-N 1 2 238.335 1.132 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CC2(CO)CC2)[nH]1 ZINC000660373458 411574638 /nfs/dbraw/zinc/57/46/38/411574638.db2.gz AJBROLYPOJGUEM-VIFPVBQESA-N 1 2 238.335 1.132 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](C)[C@H](C)O1 ZINC000660375792 411574841 /nfs/dbraw/zinc/57/48/41/411574841.db2.gz YEODHBRFUBIJRU-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](C)[C@H](C)O1 ZINC000660375792 411574842 /nfs/dbraw/zinc/57/48/42/411574842.db2.gz YEODHBRFUBIJRU-VWYCJHECSA-N 1 2 223.320 1.418 20 0 BDADLO CCOCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266125440 170349065 /nfs/dbraw/zinc/34/90/65/170349065.db2.gz AGFKWIQHZINXAC-UHFFFAOYSA-N 1 2 219.244 1.309 20 0 BDADLO CCOCC(C)(C)[NH2+]Cc1nc(C)no1 ZINC000339371600 170356347 /nfs/dbraw/zinc/35/63/47/170356347.db2.gz QRLNWKZNLASFIS-UHFFFAOYSA-N 1 2 213.281 1.283 20 0 BDADLO CCOCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371438155 170358665 /nfs/dbraw/zinc/35/86/65/170358665.db2.gz HAHVWBQEQLKKJL-SNVBAGLBSA-N 1 2 237.303 1.500 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)nc2)CCC1=O ZINC000660322976 411568613 /nfs/dbraw/zinc/56/86/13/411568613.db2.gz OUHZADFIKHVTSH-NSHDSACASA-N 1 2 247.342 1.559 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CCC1=O ZINC000660322976 411568615 /nfs/dbraw/zinc/56/86/15/411568615.db2.gz OUHZADFIKHVTSH-NSHDSACASA-N 1 2 247.342 1.559 20 0 BDADLO CCOCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000093311414 170391425 /nfs/dbraw/zinc/39/14/25/170391425.db2.gz CNGQSTSPHHTHOY-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000093311414 170391428 /nfs/dbraw/zinc/39/14/28/170391428.db2.gz CNGQSTSPHHTHOY-UHFFFAOYSA-N 1 2 231.727 1.542 20 0 BDADLO CCOCC[N@H+](C)Cc1nccc(C)n1 ZINC000357551384 170392075 /nfs/dbraw/zinc/39/20/75/170392075.db2.gz IBNMWUUOAQOVFX-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO CCOCC[N@@H+](C)Cc1nccc(C)n1 ZINC000357551384 170392077 /nfs/dbraw/zinc/39/20/77/170392077.db2.gz IBNMWUUOAQOVFX-UHFFFAOYSA-N 1 2 209.293 1.253 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)Cc1noc(C2CC2)n1 ZINC000660810613 411641683 /nfs/dbraw/zinc/64/16/83/411641683.db2.gz DPHOREQFSBXAIY-UHFFFAOYSA-N 1 2 247.302 1.313 20 0 BDADLO CC[N@@H+]1CCN([C@@H](C)c2n[nH]c(C)n2)C[C@H]1C ZINC000663383437 411644198 /nfs/dbraw/zinc/64/41/98/411644198.db2.gz GCHCWFZXENRSHJ-ZJUUUORDSA-N 1 2 237.351 1.200 20 0 BDADLO CC[N@H+]1CCN([C@@H](C)c2n[nH]c(C)n2)C[C@H]1C ZINC000663383437 411644202 /nfs/dbraw/zinc/64/42/02/411644202.db2.gz GCHCWFZXENRSHJ-ZJUUUORDSA-N 1 2 237.351 1.200 20 0 BDADLO CC[N@H+](Cc1nc(C)oc1C)[C@@H]1CCNC1=O ZINC000660475444 411590451 /nfs/dbraw/zinc/59/04/51/411590451.db2.gz CQOOFJUGWABOQN-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC[N@@H+](Cc1nc(C)oc1C)[C@@H]1CCNC1=O ZINC000660475444 411590452 /nfs/dbraw/zinc/59/04/52/411590452.db2.gz CQOOFJUGWABOQN-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2nccn2C)[nH+]c1C ZINC000657793188 411598965 /nfs/dbraw/zinc/59/89/65/411598965.db2.gz HSNNGPWGAYOGNP-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nncn1C)C1CCC1 ZINC000660556896 411599801 /nfs/dbraw/zinc/59/98/01/411599801.db2.gz NTOUOKQUPDPUBP-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nncn1C)C1CCC1 ZINC000660556896 411599803 /nfs/dbraw/zinc/59/98/03/411599803.db2.gz NTOUOKQUPDPUBP-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO C[C@H](O)[C@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000657821649 411607664 /nfs/dbraw/zinc/60/76/64/411607664.db2.gz YPVUSTKBJQSJQN-GWCFXTLKSA-N 1 2 232.283 1.886 20 0 BDADLO CC(C)(CO)[C@H]([NH2+]CC(F)F)c1cccnc1 ZINC000660636740 411610153 /nfs/dbraw/zinc/61/01/53/411610153.db2.gz CIFDSQYTEZVTCQ-LLVKDONJSA-N 1 2 244.285 1.996 20 0 BDADLO C[C@@H]1Cc2[nH+]cn(CCc3c[nH]nn3)c2C[C@@H]1C ZINC000660671313 411616530 /nfs/dbraw/zinc/61/65/30/411616530.db2.gz GONXNSJRFCGHJT-ZJUUUORDSA-N 1 2 245.330 1.615 20 0 BDADLO CCO[C@@H]1CC[N@H+](Cc2csnn2)C[C@@H]1C ZINC000660719521 411618478 /nfs/dbraw/zinc/61/84/78/411618478.db2.gz CQFRFWWVLSLOOT-GXSJLCMTSA-N 1 2 241.360 1.785 20 0 BDADLO CCO[C@@H]1CC[N@@H+](Cc2csnn2)C[C@@H]1C ZINC000660719521 411618479 /nfs/dbraw/zinc/61/84/79/411618479.db2.gz CQFRFWWVLSLOOT-GXSJLCMTSA-N 1 2 241.360 1.785 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)[C@H]1COC(C)(C)C1 ZINC000661092750 411705411 /nfs/dbraw/zinc/70/54/11/411705411.db2.gz KHDXZVBIRPTLLA-SNVBAGLBSA-N 1 2 209.293 1.409 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)[C@H]1COC(C)(C)C1 ZINC000661092750 411705413 /nfs/dbraw/zinc/70/54/13/411705413.db2.gz KHDXZVBIRPTLLA-SNVBAGLBSA-N 1 2 209.293 1.409 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC12CCC(CC1)C2 ZINC000660841671 411653463 /nfs/dbraw/zinc/65/34/63/411653463.db2.gz HUNDIEWSDMCPDM-UHFFFAOYSA-N 1 2 237.303 1.787 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC12CCC(CC1)C2 ZINC000660841671 411653474 /nfs/dbraw/zinc/65/34/74/411653474.db2.gz HUNDIEWSDMCPDM-UHFFFAOYSA-N 1 2 237.303 1.787 20 0 BDADLO C[N@H+](CC[C@@H]1CCCCO1)Cc1n[nH]c(=O)o1 ZINC000660839585 411654262 /nfs/dbraw/zinc/65/42/62/411654262.db2.gz ATTDUJMYALHHTP-VIFPVBQESA-N 1 2 241.291 1.166 20 0 BDADLO C[N@@H+](CC[C@@H]1CCCCO1)Cc1n[nH]c(=O)o1 ZINC000660839585 411654266 /nfs/dbraw/zinc/65/42/66/411654266.db2.gz ATTDUJMYALHHTP-VIFPVBQESA-N 1 2 241.291 1.166 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842682 411654870 /nfs/dbraw/zinc/65/48/70/411654870.db2.gz PSCNRFVTTNTOCO-VIFPVBQESA-N 1 2 243.307 1.004 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660842682 411654876 /nfs/dbraw/zinc/65/48/76/411654876.db2.gz PSCNRFVTTNTOCO-VIFPVBQESA-N 1 2 243.307 1.004 20 0 BDADLO CC(C)CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844239 411656325 /nfs/dbraw/zinc/65/63/25/411656325.db2.gz MVWNGRHPQVCEBW-UHFFFAOYSA-N 1 2 213.281 1.643 20 0 BDADLO CC(C)CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844239 411656328 /nfs/dbraw/zinc/65/63/28/411656328.db2.gz MVWNGRHPQVCEBW-UHFFFAOYSA-N 1 2 213.281 1.643 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)co1 ZINC000660862419 411660103 /nfs/dbraw/zinc/66/01/03/411660103.db2.gz QBYFUQYSMVHIRK-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](n3ccnn3)C2)co1 ZINC000660862419 411660108 /nfs/dbraw/zinc/66/01/08/411660108.db2.gz QBYFUQYSMVHIRK-LBPRGKRZSA-N 1 2 247.302 1.412 20 0 BDADLO CC1CC(NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000660882547 411662989 /nfs/dbraw/zinc/66/29/89/411662989.db2.gz MPITYPVWVJKZEC-UHFFFAOYSA-N 1 2 222.292 1.350 20 0 BDADLO CC1CC(NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000660882547 411662994 /nfs/dbraw/zinc/66/29/94/411662994.db2.gz MPITYPVWVJKZEC-UHFFFAOYSA-N 1 2 222.292 1.350 20 0 BDADLO CCn1nccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000663471753 411668217 /nfs/dbraw/zinc/66/82/17/411668217.db2.gz XTYCUGYXSXYOMF-GFCCVEGCSA-N 1 2 245.330 1.724 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)cn2)C2(CCC2)CO1 ZINC000660919762 411672887 /nfs/dbraw/zinc/67/28/87/411672887.db2.gz HOLLBLIWBZEGNZ-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)cn2)C2(CCC2)CO1 ZINC000660919762 411672890 /nfs/dbraw/zinc/67/28/90/411672890.db2.gz HOLLBLIWBZEGNZ-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1CN(Cc2cn(C)c[nH+]2)C2(CCC2)CO1 ZINC000660919762 411672893 /nfs/dbraw/zinc/67/28/93/411672893.db2.gz HOLLBLIWBZEGNZ-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO Nc1ccc(C[N@@H+]2CCc3nccnc3C2)cn1 ZINC000663503501 411687141 /nfs/dbraw/zinc/68/71/41/411687141.db2.gz OASIFIBCRVIAQT-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO Nc1ccc(C[N@H+]2CCc3nccnc3C2)cn1 ZINC000663503501 411687146 /nfs/dbraw/zinc/68/71/46/411687146.db2.gz OASIFIBCRVIAQT-UHFFFAOYSA-N 1 2 241.298 1.012 20 0 BDADLO CCc1nc(C)c(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000661089514 411698663 /nfs/dbraw/zinc/69/86/63/411698663.db2.gz BQPXHARJWKIKTR-UHFFFAOYSA-N 1 2 234.303 1.901 20 0 BDADLO Cc1nnc([C@@H](C)N(C)Cc2c[nH+]c[nH]2)s1 ZINC000661088480 411699936 /nfs/dbraw/zinc/69/99/36/411699936.db2.gz JECXIYMQYYUYAD-SSDOTTSWSA-N 1 2 237.332 1.763 20 0 BDADLO Cc1nnc([C@@H](C)N(C)Cc2c[nH]c[nH+]2)s1 ZINC000661088480 411699940 /nfs/dbraw/zinc/69/99/40/411699940.db2.gz JECXIYMQYYUYAD-SSDOTTSWSA-N 1 2 237.332 1.763 20 0 BDADLO CCNc1nccnc1NCc1[nH+]ccn1C ZINC000663541265 411700150 /nfs/dbraw/zinc/70/01/50/411700150.db2.gz UPESAIBSFCSSCI-UHFFFAOYSA-N 1 2 232.291 1.254 20 0 BDADLO CCCn1ncnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661090856 411703184 /nfs/dbraw/zinc/70/31/84/411703184.db2.gz UBKACJQYVLBKMH-UHFFFAOYSA-N 1 2 234.307 1.043 20 0 BDADLO CCCn1ncnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661090856 411703188 /nfs/dbraw/zinc/70/31/88/411703188.db2.gz UBKACJQYVLBKMH-UHFFFAOYSA-N 1 2 234.307 1.043 20 0 BDADLO C[C@H](F)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661240250 411741501 /nfs/dbraw/zinc/74/15/01/411741501.db2.gz RTLAWCNMQQKABF-QMMMGPOBSA-N 1 2 228.271 1.299 20 0 BDADLO C[C@H](F)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661240250 411741502 /nfs/dbraw/zinc/74/15/02/411741502.db2.gz RTLAWCNMQQKABF-QMMMGPOBSA-N 1 2 228.271 1.299 20 0 BDADLO Cc1cnc(N(C)Cc2ccc(N)[nH+]c2)nc1 ZINC000663805589 411749936 /nfs/dbraw/zinc/74/99/36/411749936.db2.gz BKPHZVZJYHBHQK-UHFFFAOYSA-N 1 2 229.287 1.399 20 0 BDADLO CC(C)(NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000661341384 411752481 /nfs/dbraw/zinc/75/24/81/411752481.db2.gz VMMOTGZUSBTPKE-UHFFFAOYSA-N 1 2 249.236 1.730 20 0 BDADLO Cc1nc(N(C)C)nc(NCC(F)(F)F)[nH+]1 ZINC000623892654 411764841 /nfs/dbraw/zinc/76/48/41/411764841.db2.gz WGLSMPONRJITAO-UHFFFAOYSA-N 1 2 235.213 1.220 20 0 BDADLO Cc1nc(NCC(F)(F)F)nc(N(C)C)[nH+]1 ZINC000623892654 411764848 /nfs/dbraw/zinc/76/48/48/411764848.db2.gz WGLSMPONRJITAO-UHFFFAOYSA-N 1 2 235.213 1.220 20 0 BDADLO CC[C@H](C)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397558 411768078 /nfs/dbraw/zinc/76/80/78/411768078.db2.gz DGTOWJIJGLOZQD-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661397558 411768082 /nfs/dbraw/zinc/76/80/82/411768082.db2.gz DGTOWJIJGLOZQD-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO COCC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399537 411769392 /nfs/dbraw/zinc/76/93/92/411769392.db2.gz KGDAJULBYCONPZ-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399537 411769396 /nfs/dbraw/zinc/76/93/96/411769396.db2.gz KGDAJULBYCONPZ-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399535 411769459 /nfs/dbraw/zinc/76/94/59/411769459.db2.gz KGDAJULBYCONPZ-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO COCC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661399535 411769462 /nfs/dbraw/zinc/76/94/62/411769462.db2.gz KGDAJULBYCONPZ-DTWKUNHWSA-N 1 2 223.263 1.113 20 0 BDADLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000661443436 411772165 /nfs/dbraw/zinc/77/21/65/411772165.db2.gz QSBLJYXSMLUCPN-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000661443436 411772166 /nfs/dbraw/zinc/77/21/66/411772166.db2.gz QSBLJYXSMLUCPN-ONGXEEELSA-N 1 2 241.360 1.521 20 0 BDADLO Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)no1 ZINC000661433349 411774459 /nfs/dbraw/zinc/77/44/59/411774459.db2.gz DSBGIUILQSHIJU-MWLCHTKSSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)no1 ZINC000661433349 411774462 /nfs/dbraw/zinc/77/44/62/411774462.db2.gz DSBGIUILQSHIJU-MWLCHTKSSA-N 1 2 239.319 1.361 20 0 BDADLO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(F)F ZINC000661439509 411774895 /nfs/dbraw/zinc/77/48/95/411774895.db2.gz ZRKFWYBIYWYBHN-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](CO)[C@H]1CCCC[N@H+]1CC(F)F ZINC000661439509 411774901 /nfs/dbraw/zinc/77/49/01/411774901.db2.gz ZRKFWYBIYWYBHN-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO CCNc1nccnc1N1CCn2c[nH+]cc2C1 ZINC000663919919 411775248 /nfs/dbraw/zinc/77/52/48/411775248.db2.gz BQWQRSFTIGQXPE-UHFFFAOYSA-N 1 2 244.302 1.125 20 0 BDADLO c1[nH]c2c([nH+]1)CCN(c1cc3c(nn1)CCC3)C2 ZINC000663920949 411775391 /nfs/dbraw/zinc/77/53/91/411775391.db2.gz XZBFRUVCTYPLIX-UHFFFAOYSA-N 1 2 241.298 1.251 20 0 BDADLO CCc1cc(C)nc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000663920192 411776041 /nfs/dbraw/zinc/77/60/41/411776041.db2.gz UCMYEPIXFUQXLI-UHFFFAOYSA-N 1 2 243.314 1.633 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)no1 ZINC000661487492 411784654 /nfs/dbraw/zinc/78/46/54/411784654.db2.gz GOVDSKCXYLXBJY-ONGXEEELSA-N 1 2 239.319 1.361 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)no1 ZINC000661487492 411784656 /nfs/dbraw/zinc/78/46/56/411784656.db2.gz GOVDSKCXYLXBJY-ONGXEEELSA-N 1 2 239.319 1.361 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2csnn2)[C@H]1CCO ZINC000661489685 411786930 /nfs/dbraw/zinc/78/69/30/411786930.db2.gz BOYCRMUEWCXTFF-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2csnn2)[C@H]1CCO ZINC000661489685 411786936 /nfs/dbraw/zinc/78/69/36/411786936.db2.gz BOYCRMUEWCXTFF-KOLCDFICSA-N 1 2 241.360 1.521 20 0 BDADLO CCc1cc(C)nc(NCc2ccc[nH+]c2N)n1 ZINC000663961703 411791088 /nfs/dbraw/zinc/79/10/88/411791088.db2.gz HXXBEDIHOHHLOO-UHFFFAOYSA-N 1 2 243.314 1.937 20 0 BDADLO CC[C@@H](COC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000488401461 411727674 /nfs/dbraw/zinc/72/76/74/411727674.db2.gz AMSKWGVSNZUBEL-VIFPVBQESA-N 1 2 239.323 1.083 20 0 BDADLO CC[C@@H](COC)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488401461 411727681 /nfs/dbraw/zinc/72/76/81/411727681.db2.gz AMSKWGVSNZUBEL-VIFPVBQESA-N 1 2 239.323 1.083 20 0 BDADLO C[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@@H](C)C1=O ZINC000661537809 411797504 /nfs/dbraw/zinc/79/75/04/411797504.db2.gz DTAUHTXUOCUWBQ-OPRDCNLKSA-N 1 2 247.285 1.568 20 0 BDADLO C[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@@H](C)C1=O ZINC000661537808 411797972 /nfs/dbraw/zinc/79/79/72/411797972.db2.gz DTAUHTXUOCUWBQ-BBBLOLIVSA-N 1 2 247.285 1.568 20 0 BDADLO Cc1ncc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)cn1 ZINC000661539301 411798208 /nfs/dbraw/zinc/79/82/08/411798208.db2.gz PRNZSHXNMKAEAW-NXEZZACHSA-N 1 2 233.315 1.442 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2COCCO2)oc1C ZINC000661603500 411813609 /nfs/dbraw/zinc/81/36/09/411813609.db2.gz HTMYMVWUSFEHCR-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2COCCO2)oc1C ZINC000661603500 411813613 /nfs/dbraw/zinc/81/36/13/411813613.db2.gz HTMYMVWUSFEHCR-NSHDSACASA-N 1 2 240.303 1.139 20 0 BDADLO CCc1cc(N[C@H](CO)c2cccnc2)nc[nH+]1 ZINC000664024689 411817729 /nfs/dbraw/zinc/81/77/29/411817729.db2.gz MGDVDQPHODXVFS-GFCCVEGCSA-N 1 2 244.298 1.580 20 0 BDADLO CCn1nncc1CNc1nc[nH+]c(C)c1OC ZINC000624425316 411823754 /nfs/dbraw/zinc/82/37/54/411823754.db2.gz OFNIZTVJSYAPEC-UHFFFAOYSA-N 1 2 248.290 1.017 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(C(C)(C)C)n1 ZINC000664045560 411827425 /nfs/dbraw/zinc/82/74/25/411827425.db2.gz ZUCRXVVUBQLFBV-UHFFFAOYSA-N 1 2 218.304 1.962 20 0 BDADLO C[C@]12COC[C@@H]1C[N@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704988 411849284 /nfs/dbraw/zinc/84/92/84/411849284.db2.gz ZDNYVSJLQJXOIF-GWCFXTLKSA-N 1 2 249.314 1.415 20 0 BDADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1noc(C3CC3)n1)C2 ZINC000661704988 411849287 /nfs/dbraw/zinc/84/92/87/411849287.db2.gz ZDNYVSJLQJXOIF-GWCFXTLKSA-N 1 2 249.314 1.415 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(C2CC2)nn1 ZINC000664121422 411860681 /nfs/dbraw/zinc/86/06/81/411860681.db2.gz DFDJSYTWGKIZAV-UHFFFAOYSA-N 1 2 230.271 1.607 20 0 BDADLO OC/C=C\CNc1cc(NCC2CC2)[nH+]cn1 ZINC000664235893 411892134 /nfs/dbraw/zinc/89/21/34/411892134.db2.gz KNYKTUAXVGVKGM-UPHRSURJSA-N 1 2 234.303 1.259 20 0 BDADLO OC/C=C\CNc1cc(NCC2CC2)nc[nH+]1 ZINC000664235893 411892137 /nfs/dbraw/zinc/89/21/37/411892137.db2.gz KNYKTUAXVGVKGM-UPHRSURJSA-N 1 2 234.303 1.259 20 0 BDADLO Cc1nc2[nH]ccc2c(NC/C=C\CO)[nH+]1 ZINC000664238278 411893428 /nfs/dbraw/zinc/89/34/28/411893428.db2.gz WWQDCUWOZPJXHX-IHWYPQMZSA-N 1 2 218.260 1.178 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC000661833811 411897436 /nfs/dbraw/zinc/89/74/36/411897436.db2.gz CUSXRLNKPLQJQX-VHSXEESVSA-N 1 2 249.314 1.340 20 0 BDADLO Cc1cc(N2CC3(CCC3)OC[C@@H]2C)nc[nH+]1 ZINC000664278426 411910502 /nfs/dbraw/zinc/91/05/02/411910502.db2.gz MZQUBZXIFGZRCI-NSHDSACASA-N 1 2 233.315 1.933 20 0 BDADLO O=C1CCCC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC000661955756 411920072 /nfs/dbraw/zinc/92/00/72/411920072.db2.gz PPQZMIOBPGFNJL-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO CC[C@@H](CCO)CNc1cc[nH+]c(C)n1 ZINC000087370871 170818326 /nfs/dbraw/zinc/81/83/26/170818326.db2.gz LEULQZWDABRZMU-JTQLQIEISA-N 1 2 209.293 1.606 20 0 BDADLO Cc1cc(N2CCC[C@](O)(C3CC3)C2)nc[nH+]1 ZINC000664350832 411929445 /nfs/dbraw/zinc/92/94/45/411929445.db2.gz MKOGOFIDQXNDBB-CYBMUJFWSA-N 1 2 233.315 1.526 20 0 BDADLO Cc1cc(N2CCC[C@@](O)(C3CC3)C2)nc[nH+]1 ZINC000664350834 411929854 /nfs/dbraw/zinc/92/98/54/411929854.db2.gz MKOGOFIDQXNDBB-ZDUSSCGKSA-N 1 2 233.315 1.526 20 0 BDADLO Cc1ccncc1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631257417 411935154 /nfs/dbraw/zinc/93/51/54/411935154.db2.gz VTRMTLFZKCBBPW-UHFFFAOYSA-N 1 2 244.302 1.102 20 0 BDADLO C[N@@H+]1CCc2ncnc(N[C@]34C[C@H]3CCC4)c2C1 ZINC000664160551 411875143 /nfs/dbraw/zinc/87/51/43/411875143.db2.gz JOBKRTXMTIJNKC-QMTHXVAHSA-N 1 2 244.342 1.819 20 0 BDADLO C[N@H+]1CCc2ncnc(N[C@]34C[C@H]3CCC4)c2C1 ZINC000664160551 411875149 /nfs/dbraw/zinc/87/51/49/411875149.db2.gz JOBKRTXMTIJNKC-QMTHXVAHSA-N 1 2 244.342 1.819 20 0 BDADLO CO[C@@H](CNc1cc(C)[nH+]cn1)[C@H]1CCOC1 ZINC000664160794 411875363 /nfs/dbraw/zinc/87/53/63/411875363.db2.gz DZCSJARSQSIKQW-QWRGUYRKSA-N 1 2 237.303 1.248 20 0 BDADLO CC(C)[C@@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000519676158 411877128 /nfs/dbraw/zinc/87/71/28/411877128.db2.gz KCSDWUBVLTWIJQ-NSHDSACASA-N 1 2 246.314 1.063 20 0 BDADLO c1cn(C[C@@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000664169740 411877709 /nfs/dbraw/zinc/87/77/09/411877709.db2.gz MYEKNRPMOQTJDV-LLVKDONJSA-N 1 2 229.287 1.200 20 0 BDADLO c1cn(C[C@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000664169741 411878443 /nfs/dbraw/zinc/87/84/43/411878443.db2.gz MYEKNRPMOQTJDV-NSHDSACASA-N 1 2 229.287 1.200 20 0 BDADLO c1cc(C[NH+]2CCC(c3ccon3)CC2)n[nH]1 ZINC000662048123 411965240 /nfs/dbraw/zinc/96/52/40/411965240.db2.gz NZKDCRUPUUVQRX-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO C1=C(CNc2nc[nH+]c3c2OCCN3)CCC1 ZINC000664542970 411982148 /nfs/dbraw/zinc/98/21/48/411982148.db2.gz KUNNOZKLQFVKFT-UHFFFAOYSA-N 1 2 232.287 1.803 20 0 BDADLO C1=C(CNc2[nH+]cnc3c2OCCN3)CCC1 ZINC000664542970 411982152 /nfs/dbraw/zinc/98/21/52/411982152.db2.gz KUNNOZKLQFVKFT-UHFFFAOYSA-N 1 2 232.287 1.803 20 0 BDADLO C[C@H](NC(=O)N1CC[C@H]2C[C@H]2C1)c1[nH+]ccn1C ZINC000662093568 411984795 /nfs/dbraw/zinc/98/47/95/411984795.db2.gz WJEQNSSYMCWJPH-DCAQKATOSA-N 1 2 248.330 1.533 20 0 BDADLO C[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1[nH+]ccn1C ZINC000662093570 411986019 /nfs/dbraw/zinc/98/60/19/411986019.db2.gz WJEQNSSYMCWJPH-HBNTYKKESA-N 1 2 248.330 1.533 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCc2nccnc2C1 ZINC000662119061 411990557 /nfs/dbraw/zinc/99/05/57/411990557.db2.gz JJNOOMBVFODIOR-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCc2nccnc2C1 ZINC000662119061 411990561 /nfs/dbraw/zinc/99/05/61/411990561.db2.gz JJNOOMBVFODIOR-UHFFFAOYSA-N 1 2 243.314 1.077 20 0 BDADLO CCOc1cc(N[C@H](C)c2[nH+]ccn2C)ncn1 ZINC000664608956 411998356 /nfs/dbraw/zinc/99/83/56/411998356.db2.gz RBJAHJJYRAIJPE-SECBINFHSA-N 1 2 247.302 1.782 20 0 BDADLO Cc1nnc(N[C@H](C)c2[nH+]ccn2C)nc1C ZINC000664608610 411998723 /nfs/dbraw/zinc/99/87/23/411998723.db2.gz IKRRMGNOGVUJIR-SECBINFHSA-N 1 2 232.291 1.395 20 0 BDADLO CC[C@@H](O)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000271127770 170922868 /nfs/dbraw/zinc/92/28/68/170922868.db2.gz LVNHZRXMNSANQY-LLVKDONJSA-N 1 2 237.303 1.673 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033704 411950342 /nfs/dbraw/zinc/95/03/42/411950342.db2.gz KPQPCAHUCPKTGL-BDAKNGLRSA-N 1 2 225.317 1.006 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033704 411950348 /nfs/dbraw/zinc/95/03/48/411950348.db2.gz KPQPCAHUCPKTGL-BDAKNGLRSA-N 1 2 225.317 1.006 20 0 BDADLO CCC(CC)CCC[N@H+](C)Cc1nnn(C)n1 ZINC000662037020 411953354 /nfs/dbraw/zinc/95/33/54/411953354.db2.gz JXBRERGKSLAUQX-UHFFFAOYSA-N 1 2 239.367 1.858 20 0 BDADLO CCC(CC)CCC[N@@H+](C)Cc1nnn(C)n1 ZINC000662037020 411953355 /nfs/dbraw/zinc/95/33/55/411953355.db2.gz JXBRERGKSLAUQX-UHFFFAOYSA-N 1 2 239.367 1.858 20 0 BDADLO CN(Cc1cn(C)nn1)c1cc[nH+]c(C2CC2)n1 ZINC000664432311 411953681 /nfs/dbraw/zinc/95/36/81/411953681.db2.gz LGEHAOYEHKBXHB-UHFFFAOYSA-N 1 2 244.302 1.119 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662041756 411958585 /nfs/dbraw/zinc/95/85/85/411958585.db2.gz WGYAWFZINYAVPA-GHMZBOCLSA-N 1 2 249.314 1.415 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662041756 411958588 /nfs/dbraw/zinc/95/85/88/411958588.db2.gz WGYAWFZINYAVPA-GHMZBOCLSA-N 1 2 249.314 1.415 20 0 BDADLO C[C@@H](O)[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000664442323 411959593 /nfs/dbraw/zinc/95/95/93/411959593.db2.gz VZWNSGBHNUTMKH-BXKDBHETSA-N 1 2 231.299 1.913 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+](C)CC1=CCSC1 ZINC000662267054 412058814 /nfs/dbraw/zinc/05/88/14/412058814.db2.gz QIENRKYABKZBQV-VIFPVBQESA-N 1 2 238.360 1.481 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+](C)CC1=CCSC1 ZINC000662267054 412058818 /nfs/dbraw/zinc/05/88/18/412058818.db2.gz QIENRKYABKZBQV-VIFPVBQESA-N 1 2 238.360 1.481 20 0 BDADLO C[C@H]1C[N@H+](CCO)C[C@@H](CC(F)(F)F)O1 ZINC000662241323 412038136 /nfs/dbraw/zinc/03/81/36/412038136.db2.gz JGMCPQGFBWRXLU-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](CCO)C[C@@H](CC(F)(F)F)O1 ZINC000662241323 412038139 /nfs/dbraw/zinc/03/81/39/412038139.db2.gz JGMCPQGFBWRXLU-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO COC1(c2nc(Cc3c[nH+]ccc3C)no2)CC1 ZINC000664984246 412057158 /nfs/dbraw/zinc/05/71/58/412057158.db2.gz LZYKNXUEEGWHBQ-UHFFFAOYSA-N 1 2 245.282 1.999 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000664996306 412057164 /nfs/dbraw/zinc/05/71/64/412057164.db2.gz JXYJNKNFGBALBR-GWCFXTLKSA-N 1 2 248.330 1.645 20 0 BDADLO CC[C@@H]1CCC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000336738268 171000695 /nfs/dbraw/zinc/00/06/95/171000695.db2.gz RCAZITQETVPYHH-HTQZYQBOSA-N 1 2 210.281 1.179 20 0 BDADLO CC[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000293958079 171016829 /nfs/dbraw/zinc/01/68/29/171016829.db2.gz JNFIKFUMXIVGBZ-SECBINFHSA-N 1 2 207.277 1.353 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000336650704 171086231 /nfs/dbraw/zinc/08/62/31/171086231.db2.gz DVOAGDHFLNLFDW-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000336650704 171086232 /nfs/dbraw/zinc/08/62/32/171086232.db2.gz DVOAGDHFLNLFDW-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000171965879 171087283 /nfs/dbraw/zinc/08/72/83/171087283.db2.gz BRTCNWWESVDITG-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H](C)O1 ZINC000171965879 171087286 /nfs/dbraw/zinc/08/72/86/171087286.db2.gz BRTCNWWESVDITG-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](C)[S@]1=O ZINC000286041709 171091121 /nfs/dbraw/zinc/09/11/21/171091121.db2.gz QUAZDTZMVDIWOF-XIZWVBILSA-N 1 2 241.360 1.141 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccno1 ZINC000269013005 171109817 /nfs/dbraw/zinc/10/98/17/171109817.db2.gz NROFXDIPLDHVHE-VHSXEESVSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccno1 ZINC000269013005 171109821 /nfs/dbraw/zinc/10/98/21/171109821.db2.gz NROFXDIPLDHVHE-VHSXEESVSA-N 1 2 210.277 1.674 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnc(C)nc1 ZINC000339077641 171114511 /nfs/dbraw/zinc/11/45/11/171114511.db2.gz SIIYYFKVDNJKMK-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnc(C)nc1 ZINC000339077641 171114513 /nfs/dbraw/zinc/11/45/13/171114513.db2.gz SIIYYFKVDNJKMK-ZWNOBZJWSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000337887538 171116816 /nfs/dbraw/zinc/11/68/16/171116816.db2.gz ZAHPJABWGIXBHS-NXEZZACHSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282660439 171133198 /nfs/dbraw/zinc/13/31/98/171133198.db2.gz BOMUZMPRVHCGTK-KHSHYHJCSA-N 1 2 205.261 1.338 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000281717957 171134689 /nfs/dbraw/zinc/13/46/89/171134689.db2.gz DYRGEDAYVKLDKR-ZYHUDNBSSA-N 1 2 243.310 1.792 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000370636046 171138949 /nfs/dbraw/zinc/13/89/49/171138949.db2.gz RTJRNLLXMSIKHW-JFGNBEQYSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@@](C)([NH2+]C[C@H]1CCCCO1)C(=O)OC ZINC000336683080 171176112 /nfs/dbraw/zinc/17/61/12/171176112.db2.gz DLTRZHHGCRIEDI-ZYHUDNBSSA-N 1 2 229.320 1.487 20 0 BDADLO CC[C@@](C)(O)CNC(=O)Nc1cc[nH+]cc1C ZINC000121440130 171181419 /nfs/dbraw/zinc/18/14/19/171181419.db2.gz NDDAITQTXMPXQD-GFCCVEGCSA-N 1 2 237.303 1.673 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC(C)C ZINC000340875014 171204384 /nfs/dbraw/zinc/20/43/84/171204384.db2.gz IZEONZCFXFXVPL-LBPRGKRZSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC(C)C ZINC000340875014 171204385 /nfs/dbraw/zinc/20/43/85/171204385.db2.gz IZEONZCFXFXVPL-LBPRGKRZSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000332055168 171221434 /nfs/dbraw/zinc/22/14/34/171221434.db2.gz WZHUESKIJSISIH-QQXLSSBLSA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000332055168 171221435 /nfs/dbraw/zinc/22/14/35/171221435.db2.gz WZHUESKIJSISIH-QQXLSSBLSA-N 1 2 232.349 1.143 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCC=C(Br)C1 ZINC000281607750 171242733 /nfs/dbraw/zinc/24/27/33/171242733.db2.gz IVAMRNATUZNRNS-MRVPVSSYSA-N 1 2 247.136 1.235 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCC=C(Br)C1 ZINC000281607750 171242734 /nfs/dbraw/zinc/24/27/34/171242734.db2.gz IVAMRNATUZNRNS-MRVPVSSYSA-N 1 2 247.136 1.235 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152687399 171244733 /nfs/dbraw/zinc/24/47/33/171244733.db2.gz ONFRDCTXXKFOKH-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCc2c(F)cccc2C1 ZINC000152687399 171244734 /nfs/dbraw/zinc/24/47/34/171244734.db2.gz ONFRDCTXXKFOKH-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCCC1 ZINC000665059091 412074415 /nfs/dbraw/zinc/07/44/15/412074415.db2.gz OHDPNZIDTOCMIF-VXGBXAGGSA-N 1 2 247.342 1.926 20 0 BDADLO CC[C@H](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290908895 171258972 /nfs/dbraw/zinc/25/89/72/171258972.db2.gz IPOHVSSSQKWWTB-JTQLQIEISA-N 1 2 221.304 1.662 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000359623993 171260404 /nfs/dbraw/zinc/26/04/04/171260404.db2.gz XQPMHNHHIZEPKW-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000359623993 171260405 /nfs/dbraw/zinc/26/04/05/171260405.db2.gz XQPMHNHHIZEPKW-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000286164780 171267069 /nfs/dbraw/zinc/26/70/69/171267069.db2.gz WNQYVPGYMYBPFB-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CC[C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC000276629061 171269451 /nfs/dbraw/zinc/26/94/51/171269451.db2.gz SFAAWRHKQPWXLQ-NSHDSACASA-N 1 2 237.347 1.857 20 0 BDADLO CC[C@H](C)[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353004920 171319509 /nfs/dbraw/zinc/31/95/09/171319509.db2.gz QBIMJCQLZJVNJO-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CC[C@H](C)[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353004920 171319512 /nfs/dbraw/zinc/31/95/12/171319512.db2.gz QBIMJCQLZJVNJO-QMMMGPOBSA-N 1 2 238.253 1.491 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357300019 171325633 /nfs/dbraw/zinc/32/56/33/171325633.db2.gz DKGKLQNHUAIZMJ-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357300019 171325634 /nfs/dbraw/zinc/32/56/34/171325634.db2.gz DKGKLQNHUAIZMJ-QWRGUYRKSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cocn1 ZINC000192299800 171332765 /nfs/dbraw/zinc/33/27/65/171332765.db2.gz BZHLASTVIYBVEG-DTWKUNHWSA-N 1 2 225.292 1.067 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000044424579 171334355 /nfs/dbraw/zinc/33/43/55/171334355.db2.gz KYPOCLRVBCMQBB-WPRPVWTQSA-N 1 2 239.319 1.376 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]C[C@H](O)C(C)C)C(=O)OC ZINC000309850400 171374698 /nfs/dbraw/zinc/37/46/98/171374698.db2.gz XMKZVAKDQYVXIW-GARJFASQSA-N 1 2 231.336 1.181 20 0 BDADLO CC12CC(C1)C[N@@H+]2Cc1nc(C(F)F)no1 ZINC000662386043 412138688 /nfs/dbraw/zinc/13/86/88/412138688.db2.gz QKRPSYKFTOVVEX-UHFFFAOYSA-N 1 2 229.230 1.992 20 0 BDADLO CC12CC(C1)C[N@H+]2Cc1nc(C(F)F)no1 ZINC000662386043 412138691 /nfs/dbraw/zinc/13/86/91/412138691.db2.gz QKRPSYKFTOVVEX-UHFFFAOYSA-N 1 2 229.230 1.992 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276551355 171385982 /nfs/dbraw/zinc/38/59/82/171385982.db2.gz HSCCBSLMZIJEOY-QEBMPYFUSA-N 1 2 221.304 1.974 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000189074583 171386036 /nfs/dbraw/zinc/38/60/36/171386036.db2.gz SIUOHABOHITJFE-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000189074583 171386038 /nfs/dbraw/zinc/38/60/38/171386038.db2.gz SIUOHABOHITJFE-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000264839557 171388059 /nfs/dbraw/zinc/38/80/59/171388059.db2.gz KUWCKUVFGTXLMZ-YUMQZZPRSA-N 1 2 209.293 1.883 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000665089425 412087024 /nfs/dbraw/zinc/08/70/24/412087024.db2.gz HSQKGLHLPRQPCQ-QJPTWQEYSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCn2cccn2)CCO1 ZINC000662369272 412127749 /nfs/dbraw/zinc/12/77/49/412127749.db2.gz OIFPWKLAHQZYIS-NSHDSACASA-N 1 2 245.273 1.239 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCn2cccn2)CCO1 ZINC000662369272 412127754 /nfs/dbraw/zinc/12/77/54/412127754.db2.gz OIFPWKLAHQZYIS-NSHDSACASA-N 1 2 245.273 1.239 20 0 BDADLO C[C@@]1(C(F)F)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000662372625 412130168 /nfs/dbraw/zinc/13/01/68/412130168.db2.gz ZIFXPYPKARIXBT-JTQLQIEISA-N 1 2 231.246 1.266 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCSC1)c1[nH]cc[nH+]1 ZINC000125347601 171508057 /nfs/dbraw/zinc/50/80/57/171508057.db2.gz PIXNNSVBNSLHPC-IUCAKERBSA-N 1 2 239.344 1.730 20 0 BDADLO CC[C@H]([NH2+]CCOc1ccccc1)C(=O)OC ZINC000134972986 171522686 /nfs/dbraw/zinc/52/26/86/171522686.db2.gz KVNZAMDHPUIBQH-LBPRGKRZSA-N 1 2 237.299 1.607 20 0 BDADLO CC[C@H](O)CCNC(=O)Nc1cc[nH+]cc1C ZINC000271141658 171558819 /nfs/dbraw/zinc/55/88/19/171558819.db2.gz QJIAHDWCQXOFNG-JTQLQIEISA-N 1 2 237.303 1.673 20 0 BDADLO CC[C@H]1CC[C@H](C(=O)NCc2[nH]c[nH+]c2C)O1 ZINC000268097700 171645375 /nfs/dbraw/zinc/64/53/75/171645375.db2.gz MLJRLUOXGYSLQY-GXSJLCMTSA-N 1 2 237.303 1.292 20 0 BDADLO CNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000665463528 412330080 /nfs/dbraw/zinc/33/00/80/412330080.db2.gz IRIZQBLUKHNGKM-GFCCVEGCSA-N 1 2 234.299 1.016 20 0 BDADLO CNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000665463528 412330083 /nfs/dbraw/zinc/33/00/83/412330083.db2.gz IRIZQBLUKHNGKM-GFCCVEGCSA-N 1 2 234.299 1.016 20 0 BDADLO COC(=O)[C@H](C)CNc1cc(C2CC2)[nH+]cn1 ZINC000603286771 412336888 /nfs/dbraw/zinc/33/68/88/412336888.db2.gz SPHZTHVELDQUGX-MRVPVSSYSA-N 1 2 235.287 1.575 20 0 BDADLO CCO[C@H]1CCC[N@@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000662943476 412351692 /nfs/dbraw/zinc/35/16/92/412351692.db2.gz QVNDYKKPGSDDDJ-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO CCO[C@H]1CCC[N@H+]([C@H](C)c2nnc(C)[nH]2)C1 ZINC000662943476 412351694 /nfs/dbraw/zinc/35/16/94/412351694.db2.gz QVNDYKKPGSDDDJ-KOLCDFICSA-N 1 2 238.335 1.675 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(c2cnccn2)CC1(C)C ZINC000663169845 412391002 /nfs/dbraw/zinc/39/10/02/412391002.db2.gz FJDJBRCYTVRTSW-LLVKDONJSA-N 1 2 243.314 1.798 20 0 BDADLO Cc1cc(N2CCCc3n[nH]cc3C2)nc[nH+]1 ZINC000663172611 412391509 /nfs/dbraw/zinc/39/15/09/412391509.db2.gz XECCJVGKTWMKNQ-UHFFFAOYSA-N 1 2 229.287 1.461 20 0 BDADLO CCc1nnc(C[N@H+](CC)C[C@H](C)OC)o1 ZINC000361567008 172048905 /nfs/dbraw/zinc/04/89/05/172048905.db2.gz PJLKDRSWUBNWRZ-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nnc(C[N@@H+](CC)C[C@H](C)OC)o1 ZINC000361567008 172048907 /nfs/dbraw/zinc/04/89/07/172048907.db2.gz PJLKDRSWUBNWRZ-VIFPVBQESA-N 1 2 227.308 1.489 20 0 BDADLO CCc1nnc(C[NH2+][C@@](C)(C(N)=O)C(C)C)o1 ZINC000330870717 172054170 /nfs/dbraw/zinc/05/41/70/172054170.db2.gz ZLPMVEWYVGSBTO-LLVKDONJSA-N 1 2 240.307 1.672 20 0 BDADLO CCc1nc(SCCn2cc[nH+]c2C)n[nH]1 ZINC000270654193 172062260 /nfs/dbraw/zinc/06/22/60/172062260.db2.gz MTKQKHCHRNQNGH-UHFFFAOYSA-N 1 2 237.332 1.664 20 0 BDADLO CCc1nc(SCc2c[nH+]cn2C)n[nH]1 ZINC000267109802 172063617 /nfs/dbraw/zinc/06/36/17/172063617.db2.gz ABYNFDDXZRYBOG-UHFFFAOYSA-N 1 2 223.305 1.393 20 0 BDADLO CCc1nnc(SCc2c[nH+]cn2C)[nH]1 ZINC000267109802 172063619 /nfs/dbraw/zinc/06/36/19/172063619.db2.gz ABYNFDDXZRYBOG-UHFFFAOYSA-N 1 2 223.305 1.393 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](OC)C2)o1 ZINC000361372294 172064028 /nfs/dbraw/zinc/06/40/28/172064028.db2.gz MGWIBOLAAAJFHV-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](OC)C2)o1 ZINC000361372294 172064029 /nfs/dbraw/zinc/06/40/29/172064029.db2.gz MGWIBOLAAAJFHV-RKDXNWHRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000120012939 172084031 /nfs/dbraw/zinc/08/40/31/172084031.db2.gz NXNDZZHMXXGVHF-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000120012939 172084034 /nfs/dbraw/zinc/08/40/34/172084034.db2.gz NXNDZZHMXXGVHF-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCn1cccc1CN(C)Cc1[nH+]ccn1C ZINC000267399531 172203605 /nfs/dbraw/zinc/20/36/05/172203605.db2.gz IQFJXXIMNWVRCP-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1ccnc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000336704685 172217824 /nfs/dbraw/zinc/21/78/24/172217824.db2.gz NJUUUOVTKGCZTK-LBPRGKRZSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000336704685 172217826 /nfs/dbraw/zinc/21/78/26/172217826.db2.gz NJUUUOVTKGCZTK-LBPRGKRZSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@@H]1C(=O)OC ZINC000054743877 172219090 /nfs/dbraw/zinc/21/90/90/172219090.db2.gz CLEQZCJCKPRCLQ-SNVBAGLBSA-N 1 2 237.303 1.040 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Nc1cccnc1 ZINC000296474333 172222202 /nfs/dbraw/zinc/22/22/02/172222202.db2.gz XBSWUDLFADVOJV-UHFFFAOYSA-N 1 2 245.286 1.620 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H]1C[C@@H]1C ZINC000296510077 172222246 /nfs/dbraw/zinc/22/22/46/172222246.db2.gz YOIBZEYLUYOYEJ-UWVGGRQHSA-N 1 2 236.319 1.358 20 0 BDADLO CCn1ccnc1C[NH2+][C@H](CO)c1ccccc1 ZINC000063000469 172223460 /nfs/dbraw/zinc/22/34/60/172223460.db2.gz WCPAVVRROQYEGG-CYBMUJFWSA-N 1 2 245.326 1.726 20 0 BDADLO CCn1cc[nH+]c1CNc1ncc(C)cn1 ZINC000295002201 172226265 /nfs/dbraw/zinc/22/62/65/172226265.db2.gz OGTKXCQIEFNJGC-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(N)=O ZINC000280414288 172229882 /nfs/dbraw/zinc/22/98/82/172229882.db2.gz PXXODBNNOOPIEJ-VIFPVBQESA-N 1 2 222.292 1.509 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1ccc[nH]1 ZINC000354043616 172263039 /nfs/dbraw/zinc/26/30/39/172263039.db2.gz ALXMKOUIMAHDRV-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000354043616 172263041 /nfs/dbraw/zinc/26/30/41/172263041.db2.gz ALXMKOUIMAHDRV-UHFFFAOYSA-N 1 2 218.304 1.863 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000289875141 172265752 /nfs/dbraw/zinc/26/57/52/172265752.db2.gz RQTBGTOTOUQDRZ-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000289875141 172265754 /nfs/dbraw/zinc/26/57/54/172265754.db2.gz RQTBGTOTOUQDRZ-LBPRGKRZSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](COC)c1ccco1 ZINC000119445710 172272245 /nfs/dbraw/zinc/27/22/45/172272245.db2.gz NPXSKKZBWYMFPA-LBPRGKRZSA-N 1 2 249.314 1.973 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCc1ccccc1 ZINC000193311244 172279649 /nfs/dbraw/zinc/27/96/49/172279649.db2.gz IRZJQZGGXREBTJ-UHFFFAOYSA-N 1 2 244.342 1.973 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCc1ccccc1 ZINC000193311244 172279652 /nfs/dbraw/zinc/27/96/52/172279652.db2.gz IRZJQZGGXREBTJ-UHFFFAOYSA-N 1 2 244.342 1.973 20 0 BDADLO CN(C(=O)Cn1cc[nH+]c1)c1nccs1 ZINC000111197032 172316848 /nfs/dbraw/zinc/31/68/48/172316848.db2.gz BJHHWDVGBVHFJN-UHFFFAOYSA-N 1 2 222.273 1.003 20 0 BDADLO CN(C)C(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000309612923 172370365 /nfs/dbraw/zinc/37/03/65/172370365.db2.gz BXTAZQAJMWRTPN-UHFFFAOYSA-N 1 2 234.290 1.632 20 0 BDADLO CN(C)C(=O)CNc1[nH+]c2ccccc2n1C ZINC000079044169 172372809 /nfs/dbraw/zinc/37/28/09/172372809.db2.gz VMVAXEPYOZUWPN-UHFFFAOYSA-N 1 2 232.287 1.073 20 0 BDADLO C[N@H+](CCO)Cc1nc(Cl)ccc1Cl ZINC000061630471 172759626 /nfs/dbraw/zinc/75/96/26/172759626.db2.gz BCFGXQIWZCPEKT-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@@H+](CCO)Cc1nc(Cl)ccc1Cl ZINC000061630471 172759628 /nfs/dbraw/zinc/75/96/28/172759628.db2.gz BCFGXQIWZCPEKT-UHFFFAOYSA-N 1 2 235.114 1.813 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccncc1 ZINC000130446655 172898553 /nfs/dbraw/zinc/89/85/53/172898553.db2.gz RBGNJLPMBAPIKA-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccncc1 ZINC000130446655 172898556 /nfs/dbraw/zinc/89/85/56/172898556.db2.gz RBGNJLPMBAPIKA-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO CN1CC[N@H+](CCCOc2ccccc2)CC1=O ZINC000119423175 173078862 /nfs/dbraw/zinc/07/88/62/173078862.db2.gz UGGKSOKHWUQWCF-UHFFFAOYSA-N 1 2 248.326 1.230 20 0 BDADLO CN1CC[N@@H+](CCCOc2ccccc2)CC1=O ZINC000119423175 173078865 /nfs/dbraw/zinc/07/88/65/173078865.db2.gz UGGKSOKHWUQWCF-UHFFFAOYSA-N 1 2 248.326 1.230 20 0 BDADLO C[NH+]1CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000182221847 173085187 /nfs/dbraw/zinc/08/51/87/173085187.db2.gz LMIXOVNEUFSLJU-OAHLLOKOSA-N 1 2 248.370 1.228 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2cccc(Cl)n2)C1 ZINC000085791336 173108819 /nfs/dbraw/zinc/10/88/19/173108819.db2.gz KNFGYAJRRYMFOV-SECBINFHSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2cccc(Cl)n2)C1 ZINC000085791336 173108822 /nfs/dbraw/zinc/10/88/22/173108822.db2.gz KNFGYAJRRYMFOV-SECBINFHSA-N 1 2 241.722 1.478 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000270232308 173119681 /nfs/dbraw/zinc/11/96/81/173119681.db2.gz GRWKJLSOPDZODC-SECBINFHSA-N 1 2 248.248 1.412 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000270232308 173119683 /nfs/dbraw/zinc/11/96/83/173119683.db2.gz GRWKJLSOPDZODC-SECBINFHSA-N 1 2 248.248 1.412 20 0 BDADLO CN(c1[nH]c2ccccc2[nH+]1)[C@@H]1CCN(C)C1=O ZINC000270571973 173119770 /nfs/dbraw/zinc/11/97/70/173119770.db2.gz NHECXZQWQSPBRY-LLVKDONJSA-N 1 2 244.298 1.230 20 0 BDADLO CNC(=O)CCCCC(=O)Nc1cc[nH+]cc1C ZINC000338386957 173235267 /nfs/dbraw/zinc/23/52/67/173235267.db2.gz VRJLIRDUPGGSRH-UHFFFAOYSA-N 1 2 249.314 1.057 20 0 BDADLO CNC(=O)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000359479654 173262383 /nfs/dbraw/zinc/26/23/83/173262383.db2.gz IOFKFFYCMMRUCS-UHFFFAOYSA-N 1 2 247.273 1.922 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccccc1SC ZINC000272967924 173269614 /nfs/dbraw/zinc/26/96/14/173269614.db2.gz YLMHSXCIRMMXQE-UHFFFAOYSA-N 1 2 238.356 1.586 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccccc1SC ZINC000272967924 173269616 /nfs/dbraw/zinc/26/96/16/173269616.db2.gz YLMHSXCIRMMXQE-UHFFFAOYSA-N 1 2 238.356 1.586 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000281932294 173270284 /nfs/dbraw/zinc/27/02/84/173270284.db2.gz ICVXFQFKTPXZTJ-UHFFFAOYSA-N 1 2 243.310 1.413 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000281932294 173270286 /nfs/dbraw/zinc/27/02/86/173270286.db2.gz ICVXFQFKTPXZTJ-UHFFFAOYSA-N 1 2 243.310 1.413 20 0 BDADLO CNC(=O)COc1ccc([NH2+]C(C)C)c(C)c1 ZINC000280177699 173279409 /nfs/dbraw/zinc/27/94/09/173279409.db2.gz GMEXGTSTCIDASB-UHFFFAOYSA-N 1 2 236.315 1.940 20 0 BDADLO CNC(=O)C[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000134314535 173282984 /nfs/dbraw/zinc/28/29/84/173282984.db2.gz YOFFYXMTAAEVJR-VIFPVBQESA-N 1 2 207.277 1.327 20 0 BDADLO CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000334149356 173291330 /nfs/dbraw/zinc/29/13/30/173291330.db2.gz HIOYYZBIEUGNDN-UHFFFAOYSA-N 1 2 230.271 1.301 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000179334339 173297799 /nfs/dbraw/zinc/29/77/99/173297799.db2.gz LXGOOBKPARXJJK-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000179334339 173297800 /nfs/dbraw/zinc/29/78/00/173297800.db2.gz LXGOOBKPARXJJK-JTQLQIEISA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1csc(C)n1 ZINC000076721979 173298675 /nfs/dbraw/zinc/29/86/75/173298675.db2.gz WIKYBVMCDYZQJW-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1csc(C)n1 ZINC000076721979 173298676 /nfs/dbraw/zinc/29/86/76/173298676.db2.gz WIKYBVMCDYZQJW-JTQLQIEISA-N 1 2 239.344 1.162 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000309560659 173299278 /nfs/dbraw/zinc/29/92/78/173299278.db2.gz KYMZHGOQSSBDMN-ZJUUUORDSA-N 1 2 219.288 1.408 20 0 BDADLO CNC(=O)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000042571655 173304009 /nfs/dbraw/zinc/30/40/09/173304009.db2.gz KVVNGYOPBLOYKZ-VIFPVBQESA-N 1 2 229.283 1.781 20 0 BDADLO CNC(=O)c1cccc(NCc2[nH]cc[nH+]2)c1C ZINC000049715309 173311649 /nfs/dbraw/zinc/31/16/49/173311649.db2.gz YNDOYWMJOYNTJZ-UHFFFAOYSA-N 1 2 244.298 1.690 20 0 BDADLO C[NH2+]Cc1noc([C@H]2C[C@@]2(C)C(C)C)n1 ZINC000331818690 173399336 /nfs/dbraw/zinc/39/93/36/173399336.db2.gz YWKAGJHHHZFXDN-KCJUWKMLSA-N 1 2 209.293 1.939 20 0 BDADLO COC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000307877305 173587052 /nfs/dbraw/zinc/58/70/52/173587052.db2.gz UKKRSJLOVWLBIE-UHFFFAOYSA-N 1 2 207.220 1.137 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000355654476 173785699 /nfs/dbraw/zinc/78/56/99/173785699.db2.gz RNSDHBQBMSNNHV-NSHDSACASA-N 1 2 236.315 1.474 20 0 BDADLO COC(=O)[C@H]([NH2+]CCCc1ccccn1)C1CC1 ZINC000358843786 173804709 /nfs/dbraw/zinc/80/47/09/173804709.db2.gz CLKYIHLTWOSJFK-CYBMUJFWSA-N 1 2 248.326 1.555 20 0 BDADLO COC(=O)[C@H]([NH2+]CC[C@H](C)F)C1CC1 ZINC000336654796 173805037 /nfs/dbraw/zinc/80/50/37/173805037.db2.gz MXWOVOZKUVEQKD-IONNQARKSA-N 1 2 203.257 1.276 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccs2)on1 ZINC000082432871 487627994 /nfs/dbraw/zinc/62/79/94/487627994.db2.gz PSUBXXYYNAXCOM-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO COC1(C(=O)Nc2cccc3[nH+]ccn32)CCC1 ZINC000273188275 173974664 /nfs/dbraw/zinc/97/46/64/173974664.db2.gz MPYXFKOMOOIITE-UHFFFAOYSA-N 1 2 245.282 1.842 20 0 BDADLO COC1(CNc2cc[nH+]cc2F)CCOCC1 ZINC000278527962 174007035 /nfs/dbraw/zinc/00/70/35/174007035.db2.gz NHAWIVZNXVTSEH-UHFFFAOYSA-N 1 2 240.278 1.828 20 0 BDADLO COCC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000295002883 174068789 /nfs/dbraw/zinc/06/87/89/174068789.db2.gz UYTJJWXZDHGOGD-UHFFFAOYSA-N 1 2 247.298 1.945 20 0 BDADLO COCC(C)(C)CNc1nc[nH+]c(N)c1Cl ZINC000291660320 174077890 /nfs/dbraw/zinc/07/78/90/174077890.db2.gz CQLFLMQVXCDBDG-UHFFFAOYSA-N 1 2 244.726 1.797 20 0 BDADLO COCC(C)(C)CNc1[nH+]cnc(N)c1Cl ZINC000291660320 174077892 /nfs/dbraw/zinc/07/78/92/174077892.db2.gz CQLFLMQVXCDBDG-UHFFFAOYSA-N 1 2 244.726 1.797 20 0 BDADLO COCC1=CC[N@H+](Cc2ncccn2)CC1 ZINC000361762883 174116814 /nfs/dbraw/zinc/11/68/14/174116814.db2.gz CUIJDZMJXJIYRJ-UHFFFAOYSA-N 1 2 219.288 1.255 20 0 BDADLO COCC1=CC[N@@H+](Cc2ncccn2)CC1 ZINC000361762883 174116816 /nfs/dbraw/zinc/11/68/16/174116816.db2.gz CUIJDZMJXJIYRJ-UHFFFAOYSA-N 1 2 219.288 1.255 20 0 BDADLO COCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276459836 174134865 /nfs/dbraw/zinc/13/48/65/174134865.db2.gz BSNVSTAOKBOALX-JTQLQIEISA-N 1 2 225.292 1.260 20 0 BDADLO COCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341718828 174134988 /nfs/dbraw/zinc/13/49/88/174134988.db2.gz LCRZRUHYTGQECX-NSHDSACASA-N 1 2 237.303 1.024 20 0 BDADLO COCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000339681660 174137942 /nfs/dbraw/zinc/13/79/42/174137942.db2.gz HBUFLXWZADBAHS-UHFFFAOYSA-N 1 2 233.271 1.846 20 0 BDADLO COCCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000330833781 174140857 /nfs/dbraw/zinc/14/08/57/174140857.db2.gz VVEZAGUBAVNBJR-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO COCCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000330833781 174140861 /nfs/dbraw/zinc/14/08/61/174140861.db2.gz VVEZAGUBAVNBJR-UHFFFAOYSA-N 1 2 225.292 1.089 20 0 BDADLO COCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265792839 174166364 /nfs/dbraw/zinc/16/63/64/174166364.db2.gz ITENSSFIPNMMHM-LLVKDONJSA-N 1 2 239.319 1.062 20 0 BDADLO COCCCCCNc1nc[nH+]c(N)c1Cl ZINC000234666935 174186343 /nfs/dbraw/zinc/18/63/43/174186343.db2.gz KHPDLNFUHBDYLO-UHFFFAOYSA-N 1 2 244.726 1.941 20 0 BDADLO COCCCCCNc1[nH+]cnc(N)c1Cl ZINC000234666935 174186346 /nfs/dbraw/zinc/18/63/46/174186346.db2.gz KHPDLNFUHBDYLO-UHFFFAOYSA-N 1 2 244.726 1.941 20 0 BDADLO COCCC[N@H+](C)Cc1csc(COC)n1 ZINC000336669153 174218351 /nfs/dbraw/zinc/21/83/51/174218351.db2.gz HVQUFGCPTASEFA-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO COCCC[N@@H+](C)Cc1csc(COC)n1 ZINC000336669153 174218354 /nfs/dbraw/zinc/21/83/54/174218354.db2.gz HVQUFGCPTASEFA-UHFFFAOYSA-N 1 2 244.360 1.758 20 0 BDADLO COCCCN(CCOC)c1cc[nH+]c(C)n1 ZINC000360966212 174227099 /nfs/dbraw/zinc/22/70/99/174227099.db2.gz LZZRIMWPSFSBMV-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO COCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375798482 174231193 /nfs/dbraw/zinc/23/11/93/174231193.db2.gz WTNBWWJMVMUGCS-LLVKDONJSA-N 1 2 225.288 1.689 20 0 BDADLO COCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375798482 174231196 /nfs/dbraw/zinc/23/11/96/174231196.db2.gz WTNBWWJMVMUGCS-LLVKDONJSA-N 1 2 225.288 1.689 20 0 BDADLO COCCN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000283909467 174271870 /nfs/dbraw/zinc/27/18/70/174271870.db2.gz JSDWDAZIWZLDLN-UHFFFAOYSA-N 1 2 248.286 1.444 20 0 BDADLO COCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301121139 174283497 /nfs/dbraw/zinc/28/34/97/174283497.db2.gz RXMDUJPSSOWXPK-UHFFFAOYSA-N 1 2 223.320 1.991 20 0 BDADLO COCC[N@@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000361953782 174304651 /nfs/dbraw/zinc/30/46/51/174304651.db2.gz BKHVDDGIOVFRMH-JTQLQIEISA-N 1 2 224.308 1.287 20 0 BDADLO COCC[N@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000361953782 174304652 /nfs/dbraw/zinc/30/46/52/174304652.db2.gz BKHVDDGIOVFRMH-JTQLQIEISA-N 1 2 224.308 1.287 20 0 BDADLO COCCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000171052214 174309701 /nfs/dbraw/zinc/30/97/01/174309701.db2.gz BVOHEMSBBYMJMQ-ZDUSSCGKSA-N 1 2 249.358 1.407 20 0 BDADLO COCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000375189256 174312107 /nfs/dbraw/zinc/31/21/07/174312107.db2.gz XSGHDVXBZPEDMF-CYBMUJFWSA-N 1 2 248.326 1.114 20 0 BDADLO COCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000375189256 174312108 /nfs/dbraw/zinc/31/21/08/174312108.db2.gz XSGHDVXBZPEDMF-CYBMUJFWSA-N 1 2 248.326 1.114 20 0 BDADLO COCC[N@@H+]1CC[C@H](NCc2ccco2)C1 ZINC000264639155 174314425 /nfs/dbraw/zinc/31/44/25/174314425.db2.gz VNMBYAOWXJPGJB-NSHDSACASA-N 1 2 224.304 1.090 20 0 BDADLO COCC[N@H+]1CC[C@H](NCc2ccco2)C1 ZINC000264639155 174314426 /nfs/dbraw/zinc/31/44/26/174314426.db2.gz VNMBYAOWXJPGJB-NSHDSACASA-N 1 2 224.304 1.090 20 0 BDADLO COCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336355611 174315554 /nfs/dbraw/zinc/31/55/54/174315554.db2.gz QSBZYPQNNLCRLH-UHFFFAOYSA-N 1 2 227.254 1.969 20 0 BDADLO COCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336355611 174315556 /nfs/dbraw/zinc/31/55/56/174315556.db2.gz QSBZYPQNNLCRLH-UHFFFAOYSA-N 1 2 227.254 1.969 20 0 BDADLO COCCNC(=O)Nc1cc[nH+]cc1C ZINC000121751831 174326089 /nfs/dbraw/zinc/32/60/89/174326089.db2.gz LEUBZQZYEJYVSW-UHFFFAOYSA-N 1 2 209.249 1.158 20 0 BDADLO COCC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000352679092 174339829 /nfs/dbraw/zinc/33/98/29/174339829.db2.gz PGZOVHLVERWJIC-SECBINFHSA-N 1 2 243.307 1.292 20 0 BDADLO COCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000301914040 174341563 /nfs/dbraw/zinc/34/15/63/174341563.db2.gz HXWHZAQNZZMAFT-UHFFFAOYSA-N 1 2 239.323 1.119 20 0 BDADLO COCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000301914040 174341564 /nfs/dbraw/zinc/34/15/64/174341564.db2.gz HXWHZAQNZZMAFT-UHFFFAOYSA-N 1 2 239.323 1.119 20 0 BDADLO COCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301575276 174342137 /nfs/dbraw/zinc/34/21/37/174342137.db2.gz YLBHBTBGIWYXKH-UHFFFAOYSA-N 1 2 209.293 1.832 20 0 BDADLO COCCOCc1noc(C[N@H+](C)C(C)C)n1 ZINC000357150211 174364285 /nfs/dbraw/zinc/36/42/85/174364285.db2.gz QQULRQRPJFETHJ-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO COCCOCc1noc(C[N@@H+](C)C(C)C)n1 ZINC000357150211 174364287 /nfs/dbraw/zinc/36/42/87/174364287.db2.gz QQULRQRPJFETHJ-UHFFFAOYSA-N 1 2 243.307 1.073 20 0 BDADLO COCCO[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000189704293 174365304 /nfs/dbraw/zinc/36/53/04/174365304.db2.gz KOCUADBMSYXFFA-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO COCCO[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000189704293 174365306 /nfs/dbraw/zinc/36/53/06/174365306.db2.gz KOCUADBMSYXFFA-LLVKDONJSA-N 1 2 242.344 1.380 20 0 BDADLO COCCO[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000275897972 174365730 /nfs/dbraw/zinc/36/57/30/174365730.db2.gz YYGCCLGMYNEDEC-LLVKDONJSA-N 1 2 237.303 1.027 20 0 BDADLO COCCSCCC[NH2+]C(C)(C)C(=O)OC ZINC000336762841 174375122 /nfs/dbraw/zinc/37/51/22/174375122.db2.gz LUQRSCXBDQRBBH-UHFFFAOYSA-N 1 2 249.376 1.297 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000271924129 175100875 /nfs/dbraw/zinc/10/08/75/175100875.db2.gz KYZVGEAVTWCXKW-KBPBESRZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000271924129 175100878 /nfs/dbraw/zinc/10/08/78/175100878.db2.gz KYZVGEAVTWCXKW-KBPBESRZSA-N 1 2 248.326 1.844 20 0 BDADLO COc1ccc(C[N@@H+]2CCOC3(CCC3)C2)nc1 ZINC000272088601 175101329 /nfs/dbraw/zinc/10/13/29/175101329.db2.gz XPLIBLYXRQLREO-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@H+]2CCOC3(CCC3)C2)nc1 ZINC000272088601 175101330 /nfs/dbraw/zinc/10/13/30/175101330.db2.gz XPLIBLYXRQLREO-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)nc1 ZINC000338269948 175101564 /nfs/dbraw/zinc/10/15/64/175101564.db2.gz IVNDTFLYBULCSZ-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)nc1 ZINC000338269948 175101566 /nfs/dbraw/zinc/10/15/66/175101566.db2.gz IVNDTFLYBULCSZ-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ncnn2C)cn1 ZINC000353208456 175110772 /nfs/dbraw/zinc/11/07/72/175110772.db2.gz QJVGQBIIMQDRPS-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000279301812 175141340 /nfs/dbraw/zinc/14/13/40/175141340.db2.gz ZXJAMKSICILCNN-UHFFFAOYSA-N 1 2 246.270 1.385 20 0 BDADLO COc1ccc([C@H](C)[NH2+]Cc2nnn(C)n2)cc1 ZINC000234972969 175189567 /nfs/dbraw/zinc/18/95/67/175189567.db2.gz QUQDIIMTVPRTRV-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1cccc(C[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000179586081 175258797 /nfs/dbraw/zinc/25/87/97/175258797.db2.gz MGZOEAJGOGYRAR-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cccc(C[N@H+]2CCOC3(CCC3)C2)n1 ZINC000179586081 175258798 /nfs/dbraw/zinc/25/87/98/175258798.db2.gz MGZOEAJGOGYRAR-UHFFFAOYSA-N 1 2 248.326 1.845 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000178585507 175259396 /nfs/dbraw/zinc/25/93/96/175259396.db2.gz MHNREEGHBKOYTN-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)n1 ZINC000178585507 175259399 /nfs/dbraw/zinc/25/93/99/175259399.db2.gz MHNREEGHBKOYTN-WDEREUQCSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000183868584 175263791 /nfs/dbraw/zinc/26/37/91/175263791.db2.gz XCARWMRYBVMKBB-UHFFFAOYSA-N 1 2 231.242 1.412 20 0 BDADLO COc1cccc(C[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276422107 175266611 /nfs/dbraw/zinc/26/66/11/175266611.db2.gz CIJAOBRJKXBZNQ-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccccc1C[N@H+](C)Cc1cnnn1C ZINC000271028686 175324875 /nfs/dbraw/zinc/32/48/75/175324875.db2.gz XIDCSYUWMADMHT-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccccc1C[N@@H+](C)Cc1cnnn1C ZINC000271028686 175324877 /nfs/dbraw/zinc/32/48/77/175324877.db2.gz XIDCSYUWMADMHT-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccccc1C[NH+]1CCN(C2CC2)CC1 ZINC000127941470 175327551 /nfs/dbraw/zinc/32/75/51/175327551.db2.gz NKDKOFREYYDILW-UHFFFAOYSA-N 1 2 246.354 1.975 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1nnc[nH]1 ZINC000037919391 175352357 /nfs/dbraw/zinc/35/23/57/175352357.db2.gz UEWSFVPMCLPGBQ-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1C[C@@H](C)[C@H]1C ZINC000297590284 175370293 /nfs/dbraw/zinc/37/02/93/175370293.db2.gz CZOICNNGSGOFCG-NXEZZACHSA-N 1 2 249.314 1.640 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C(C)(C)F ZINC000294387114 175370405 /nfs/dbraw/zinc/37/04/05/175370405.db2.gz DEDYCUTWKXSSAY-UHFFFAOYSA-N 1 2 226.251 1.455 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)N1C[C@@H](C)[C@@H]1C ZINC000297590322 175370428 /nfs/dbraw/zinc/37/04/28/175370428.db2.gz CZOICNNGSGOFCG-ZJUUUORDSA-N 1 2 249.314 1.640 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C1=COCCC1 ZINC000294581233 175370595 /nfs/dbraw/zinc/37/05/95/175370595.db2.gz LUZBZDFPXFTABI-UHFFFAOYSA-N 1 2 248.282 1.401 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC(C)C ZINC000292368824 175370757 /nfs/dbraw/zinc/37/07/57/175370757.db2.gz RZMRKYBCJDMSHE-UHFFFAOYSA-N 1 2 223.276 1.298 20 0 BDADLO COc1ccncc1C[NH2+]Cc1conc1C ZINC000293053051 175371593 /nfs/dbraw/zinc/37/15/93/175371593.db2.gz UBRBBICACYEHPJ-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)C(C)C ZINC000293287241 175371631 /nfs/dbraw/zinc/37/16/31/175371631.db2.gz HIEAJIHVPLBXGV-JTQLQIEISA-N 1 2 236.315 1.999 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CCCO1 ZINC000129601389 175376151 /nfs/dbraw/zinc/37/61/51/175376151.db2.gz DPYJCKUGAABPJM-LBPRGKRZSA-N 1 2 236.271 1.598 20 0 BDADLO COc1ccsc1C[N@@H+]1CCO[C@H](C)C1 ZINC000271046541 175378594 /nfs/dbraw/zinc/37/85/94/175378594.db2.gz REVBGONGBLIQTM-SECBINFHSA-N 1 2 227.329 1.977 20 0 BDADLO COc1ccsc1C[N@H+]1CCO[C@H](C)C1 ZINC000271046541 175378595 /nfs/dbraw/zinc/37/85/95/175378595.db2.gz REVBGONGBLIQTM-SECBINFHSA-N 1 2 227.329 1.977 20 0 BDADLO COc1cncc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000289351479 175385018 /nfs/dbraw/zinc/38/50/18/175385018.db2.gz YCCZCENYHQFCOD-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO COc1cncc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000289351479 175385020 /nfs/dbraw/zinc/38/50/20/175385020.db2.gz YCCZCENYHQFCOD-JTQLQIEISA-N 1 2 222.288 1.311 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1nnc(C(F)F)o1 ZINC000292647865 175784197 /nfs/dbraw/zinc/78/41/97/175784197.db2.gz ZLDFPIGTEHSZMT-LURJTMIESA-N 1 2 243.217 1.704 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cnn(C)n1 ZINC000289338941 176018893 /nfs/dbraw/zinc/01/88/93/176018893.db2.gz IZXSEUFZMVGMJP-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cnn(C)n1 ZINC000289338941 176018894 /nfs/dbraw/zinc/01/88/94/176018894.db2.gz IZXSEUFZMVGMJP-JTQLQIEISA-N 1 2 246.314 1.714 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000329841674 176041292 /nfs/dbraw/zinc/04/12/92/176041292.db2.gz WVOGGEHPLVMSOU-WDEREUQCSA-N 1 2 246.318 1.020 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000329841674 176041293 /nfs/dbraw/zinc/04/12/93/176041293.db2.gz WVOGGEHPLVMSOU-WDEREUQCSA-N 1 2 246.318 1.020 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1F ZINC000137580655 176045917 /nfs/dbraw/zinc/04/59/17/176045917.db2.gz LCZUOYXSYFMQIO-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1F ZINC000137580655 176045918 /nfs/dbraw/zinc/04/59/18/176045918.db2.gz LCZUOYXSYFMQIO-SNVBAGLBSA-N 1 2 236.290 1.189 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccsc1 ZINC000360892561 176046108 /nfs/dbraw/zinc/04/61/08/176046108.db2.gz OWNKZQWAQRYXKS-SNVBAGLBSA-N 1 2 238.356 1.501 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccsc1 ZINC000360892561 176046110 /nfs/dbraw/zinc/04/61/10/176046110.db2.gz OWNKZQWAQRYXKS-SNVBAGLBSA-N 1 2 238.356 1.501 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000341174158 176060434 /nfs/dbraw/zinc/06/04/34/176060434.db2.gz PACBVKSRBPZVHS-VXGBXAGGSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H]1CCC[C@]1(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293980850 176151998 /nfs/dbraw/zinc/15/19/98/176151998.db2.gz CAMSFAXWANVMDB-YAUPHVJRSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccnc2)CC[S@]1=O ZINC000277227359 176175214 /nfs/dbraw/zinc/17/52/14/176175214.db2.gz OLGSRRLNGMTCOE-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccnc2)CC[S@]1=O ZINC000277227359 176175215 /nfs/dbraw/zinc/17/52/15/176175215.db2.gz OLGSRRLNGMTCOE-BDJLRTHQSA-N 1 2 238.356 1.425 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C[C@H]1O ZINC000336586575 176179634 /nfs/dbraw/zinc/17/96/34/176179634.db2.gz HEPISNSMIHSQTN-MWLCHTKSSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1O ZINC000336586575 176179635 /nfs/dbraw/zinc/17/96/35/176179635.db2.gz HEPISNSMIHSQTN-MWLCHTKSSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)[C@@H]1C ZINC000278395274 176182239 /nfs/dbraw/zinc/18/22/39/176182239.db2.gz MMPDNBMEGMVSPI-HTQZYQBOSA-N 1 2 246.318 1.180 20 0 BDADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)[C@H]1CO ZINC000276098377 176182816 /nfs/dbraw/zinc/18/28/16/176182816.db2.gz XLBLXPXAFNCNNT-MFKMUULPSA-N 1 2 245.326 1.780 20 0 BDADLO C[C@@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357697505 176225141 /nfs/dbraw/zinc/22/51/41/176225141.db2.gz UKAYITDFJCSEII-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000309182263 176237670 /nfs/dbraw/zinc/23/76/70/176237670.db2.gz FTOJRUWOZIWCCS-VXNVDRBHSA-N 1 2 217.276 1.574 20 0 BDADLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cocn1 ZINC000271945409 176281911 /nfs/dbraw/zinc/28/19/11/176281911.db2.gz ARSVDZINSQAXMT-SKDRFNHKSA-N 1 2 221.304 1.247 20 0 BDADLO C[C@@H]1C[N@H+](CCc2cccnc2)CC[S@]1=O ZINC000336394903 176293523 /nfs/dbraw/zinc/29/35/23/176293523.db2.gz VPUQGMHBQHVENO-BDJLRTHQSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2cccnc2)CC[S@]1=O ZINC000336394903 176293525 /nfs/dbraw/zinc/29/35/25/176293525.db2.gz VPUQGMHBQHVENO-BDJLRTHQSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[NH+](C[C@@H]2CCCO2)C[C@@H](C)S1=O ZINC000339126058 176298128 /nfs/dbraw/zinc/29/81/28/176298128.db2.gz DYMOQEFELNMEQS-MXWKQRLJSA-N 1 2 231.361 1.007 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)CCC1=O ZINC000168904868 176298363 /nfs/dbraw/zinc/29/83/63/176298363.db2.gz VDHNGUQZRHWJQY-RISCZKNCSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCC1=O ZINC000168904868 176298364 /nfs/dbraw/zinc/29/83/64/176298364.db2.gz VDHNGUQZRHWJQY-RISCZKNCSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)CC[C@@H]1O ZINC000336349188 176302010 /nfs/dbraw/zinc/30/20/10/176302010.db2.gz ZWTGFJJYHQXPFY-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)CC[C@@H]1O ZINC000336349188 176302012 /nfs/dbraw/zinc/30/20/12/176302012.db2.gz ZWTGFJJYHQXPFY-KCJUWKMLSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2N(C)C)CC(=O)N1 ZINC000335401926 176306937 /nfs/dbraw/zinc/30/69/37/176306937.db2.gz WYJCLFCXRKYVSF-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)CC(=O)N1 ZINC000335401926 176306939 /nfs/dbraw/zinc/30/69/39/176306939.db2.gz WYJCLFCXRKYVSF-LLVKDONJSA-N 1 2 247.342 1.073 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2N)[C@H](C)CO1 ZINC000052720659 176307058 /nfs/dbraw/zinc/30/70/58/176307058.db2.gz FWXWHZGSCRLIMG-NXEZZACHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2N)[C@H](C)CO1 ZINC000052720659 176307059 /nfs/dbraw/zinc/30/70/59/176307059.db2.gz FWXWHZGSCRLIMG-NXEZZACHSA-N 1 2 221.304 1.273 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H](CO)O1 ZINC000191776655 176308008 /nfs/dbraw/zinc/30/80/08/176308008.db2.gz NRSWCBHKHJLXEY-ZYHUDNBSSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H](CO)O1 ZINC000191776655 176308009 /nfs/dbraw/zinc/30/80/09/176308009.db2.gz NRSWCBHKHJLXEY-ZYHUDNBSSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)C[C@]2(CCOC2)O1 ZINC000280487323 176308968 /nfs/dbraw/zinc/30/89/68/176308968.db2.gz LWIMBCMQCMHGAK-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)C[C@]2(CCOC2)O1 ZINC000280487323 176308969 /nfs/dbraw/zinc/30/89/69/176308969.db2.gz LWIMBCMQCMHGAK-PWSUYJOCSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccon2)C[C@H](C2CC2)O1 ZINC000279276761 176309806 /nfs/dbraw/zinc/30/98/06/176309806.db2.gz JVWBOHCCRAJJOW-BXKDBHETSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H](C2CC2)O1 ZINC000279276761 176309807 /nfs/dbraw/zinc/30/98/07/176309807.db2.gz JVWBOHCCRAJJOW-BXKDBHETSA-N 1 2 222.288 1.674 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(C(C)(C)C)nc2)CCO1 ZINC000284217962 176309855 /nfs/dbraw/zinc/30/98/55/176309855.db2.gz COWPBVVJCJTGLU-LLVKDONJSA-N 1 2 249.358 1.995 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(C(C)(C)C)nc2)CCO1 ZINC000284217962 176309856 /nfs/dbraw/zinc/30/98/56/176309856.db2.gz COWPBVVJCJTGLU-LLVKDONJSA-N 1 2 249.358 1.995 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000070921330 176311122 /nfs/dbraw/zinc/31/11/22/176311122.db2.gz VTRIXKURGGMLIT-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1CO ZINC000190834097 176311392 /nfs/dbraw/zinc/31/13/92/176311392.db2.gz LTHFDJXQQDLJFV-BDAKNGLRSA-N 1 2 243.738 1.134 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1CO ZINC000190834097 176311394 /nfs/dbraw/zinc/31/13/94/176311394.db2.gz LTHFDJXQQDLJFV-BDAKNGLRSA-N 1 2 243.738 1.134 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000299235507 176316581 /nfs/dbraw/zinc/31/65/81/176316581.db2.gz SENGZJRYOAZXFF-NQBHXWOUSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000299235507 176316584 /nfs/dbraw/zinc/31/65/84/176316584.db2.gz SENGZJRYOAZXFF-NQBHXWOUSA-N 1 2 248.326 1.322 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3cccc(F)c3n2C)C[C@@H]1O ZINC000336967904 176321000 /nfs/dbraw/zinc/32/10/00/176321000.db2.gz IMNPQWWMOXXXLP-KCJUWKMLSA-N 1 2 249.289 1.529 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCOCC(F)(F)F ZINC000336648171 176335746 /nfs/dbraw/zinc/33/57/46/176335746.db2.gz NPYLDACUIDQLQG-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCOCC(F)(F)F ZINC000336648171 176335748 /nfs/dbraw/zinc/33/57/48/176335748.db2.gz NPYLDACUIDQLQG-MRVPVSSYSA-N 1 2 227.226 1.286 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc2nsnc21 ZINC000268898539 176337555 /nfs/dbraw/zinc/33/75/55/176337555.db2.gz KXBUZEKPVIDMMR-SECBINFHSA-N 1 2 249.339 1.912 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc2nsnc21 ZINC000268898539 176337557 /nfs/dbraw/zinc/33/75/57/176337557.db2.gz KXBUZEKPVIDMMR-SECBINFHSA-N 1 2 249.339 1.912 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000277855954 176346012 /nfs/dbraw/zinc/34/60/12/176346012.db2.gz RCUWTLPTWRDFGM-RNFRBKRXSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H]1COCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000277855954 176346014 /nfs/dbraw/zinc/34/60/14/176346014.db2.gz RCUWTLPTWRDFGM-RNFRBKRXSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)NCCNc2cccc[nH+]2)CO1 ZINC000331309396 176357721 /nfs/dbraw/zinc/35/77/21/176357721.db2.gz UGXIFVVWHUFULE-GHMZBOCLSA-N 1 2 249.314 1.035 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCc1[nH+]ccn1C ZINC000354257267 176390289 /nfs/dbraw/zinc/39/02/89/176390289.db2.gz VHPLFARTYGGUJT-RKDXNWHRSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000331615919 176392709 /nfs/dbraw/zinc/39/27/09/176392709.db2.gz GASJBNRSPMXQIT-RKDXNWHRSA-N 1 2 221.304 1.460 20 0 BDADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1noc(C2CC2)n1 ZINC000330206030 176482643 /nfs/dbraw/zinc/48/26/43/176482643.db2.gz CXFWPWUCPUHLKQ-UFBFGSQYSA-N 1 2 237.303 1.604 20 0 BDADLO C[C@H](c1c(F)cccc1F)[N@H+](C)CCO ZINC000267138326 177032220 /nfs/dbraw/zinc/03/22/20/177032220.db2.gz GYLUSPMKKYNFFY-MRVPVSSYSA-N 1 2 215.243 1.950 20 0 BDADLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCO ZINC000267138326 177032222 /nfs/dbraw/zinc/03/22/22/177032222.db2.gz GYLUSPMKKYNFFY-MRVPVSSYSA-N 1 2 215.243 1.950 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CC1OCCO1 ZINC000180204094 177042401 /nfs/dbraw/zinc/04/24/01/177042401.db2.gz MBVOTGJEVJLIPU-SNVBAGLBSA-N 1 2 222.288 1.447 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CC1OCCO1 ZINC000180204094 177042402 /nfs/dbraw/zinc/04/24/02/177042402.db2.gz MBVOTGJEVJLIPU-SNVBAGLBSA-N 1 2 222.288 1.447 20 0 BDADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CCCC1 ZINC000179167768 177042973 /nfs/dbraw/zinc/04/29/73/177042973.db2.gz FDHKMSSNKWMHBB-GFCCVEGCSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000179167768 177042974 /nfs/dbraw/zinc/04/29/74/177042974.db2.gz FDHKMSSNKWMHBB-GFCCVEGCSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCO ZINC000153138593 177050793 /nfs/dbraw/zinc/05/07/93/177050793.db2.gz ZDTDJKMJYBLVOS-LLVKDONJSA-N 1 2 246.314 1.252 20 0 BDADLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCO ZINC000153138593 177050794 /nfs/dbraw/zinc/05/07/94/177050794.db2.gz ZDTDJKMJYBLVOS-LLVKDONJSA-N 1 2 246.314 1.252 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCc2ncccc2C1 ZINC000366384983 177052119 /nfs/dbraw/zinc/05/21/19/177052119.db2.gz JICQMGBXRHHIQM-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCc2ncccc2C1 ZINC000366384983 177052121 /nfs/dbraw/zinc/05/21/21/177052121.db2.gz JICQMGBXRHHIQM-LLVKDONJSA-N 1 2 240.310 1.991 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000329841669 177054456 /nfs/dbraw/zinc/05/44/56/177054456.db2.gz WVOGGEHPLVMSOU-GHMZBOCLSA-N 1 2 246.318 1.020 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000329841669 177054457 /nfs/dbraw/zinc/05/44/57/177054457.db2.gz WVOGGEHPLVMSOU-GHMZBOCLSA-N 1 2 246.318 1.020 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000263761740 177148410 /nfs/dbraw/zinc/14/84/10/177148410.db2.gz KMIBQIGBLWJIFR-NSHDSACASA-N 1 2 243.310 1.745 20 0 BDADLO C[C@H]1CC[N@H+](CC(C)(C)O)CC1(F)F ZINC000335073539 177159136 /nfs/dbraw/zinc/15/91/36/177159136.db2.gz ONXUHVSMYNKQHY-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[N@@H+](CC(C)(C)O)CC1(F)F ZINC000335073539 177159137 /nfs/dbraw/zinc/15/91/37/177159137.db2.gz ONXUHVSMYNKQHY-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cscn2)C[C@H]1O ZINC000299890943 177166315 /nfs/dbraw/zinc/16/63/15/177166315.db2.gz AXWZVOQXJJAXTR-WCBMZHEXSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O ZINC000299890943 177166317 /nfs/dbraw/zinc/16/63/17/177166317.db2.gz AXWZVOQXJJAXTR-WCBMZHEXSA-N 1 2 212.318 1.346 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccn(C)n2)[C@H](C(N)=O)C1 ZINC000336415958 177167627 /nfs/dbraw/zinc/16/76/27/177167627.db2.gz UUYAKHGZVQKXAD-ONGXEEELSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccn(C)n2)[C@H](C(N)=O)C1 ZINC000336415958 177167628 /nfs/dbraw/zinc/16/76/28/177167628.db2.gz UUYAKHGZVQKXAD-ONGXEEELSA-N 1 2 236.319 1.556 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]cnc2c1cnn2C ZINC000175058384 177172825 /nfs/dbraw/zinc/17/28/25/177172825.db2.gz LUPASMPRNAHHRX-DTWKUNHWSA-N 1 2 231.303 1.598 20 0 BDADLO C[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000227849525 177172994 /nfs/dbraw/zinc/17/29/94/177172994.db2.gz UIBZXNCNVWSKOJ-LURJTMIESA-N 1 2 212.684 1.558 20 0 BDADLO C[C@H]1CCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000227849525 177172996 /nfs/dbraw/zinc/17/29/96/177172996.db2.gz UIBZXNCNVWSKOJ-LURJTMIESA-N 1 2 212.684 1.558 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1nccs1 ZINC000374992174 177177156 /nfs/dbraw/zinc/17/71/56/177177156.db2.gz VZKXYRQRKACYRX-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1nccs1 ZINC000374992174 177177157 /nfs/dbraw/zinc/17/71/57/177177157.db2.gz VZKXYRQRKACYRX-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[C@H]1CC[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000336536573 177180887 /nfs/dbraw/zinc/18/08/87/177180887.db2.gz BEFVLYNKDSNTEL-VHSXEESVSA-N 1 2 221.304 1.804 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357697507 177189259 /nfs/dbraw/zinc/18/92/59/177189259.db2.gz UKAYITDFJCSEII-WDEREUQCSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000332306556 177202366 /nfs/dbraw/zinc/20/23/66/177202366.db2.gz KHOGZKLDAMNKLC-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000332306556 177202368 /nfs/dbraw/zinc/20/23/68/177202368.db2.gz KHOGZKLDAMNKLC-QWRGUYRKSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC000339172376 177203053 /nfs/dbraw/zinc/20/30/53/177203053.db2.gz YVEBGWYDYNZWRJ-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1C[N@H+](C/C=C/c2ccccc2)CC(=O)N1C ZINC000282225441 177240348 /nfs/dbraw/zinc/24/03/48/177240348.db2.gz PCUADLXEZXTUDF-PPGNKHEKSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC(=O)N1C ZINC000282225441 177240350 /nfs/dbraw/zinc/24/03/50/177240350.db2.gz PCUADLXEZXTUDF-PPGNKHEKSA-N 1 2 244.338 1.862 20 0 BDADLO C[C@H]1C[N@H+](CCC(=O)c2ccccc2)CC(=O)N1 ZINC000296105341 177246287 /nfs/dbraw/zinc/24/62/87/177246287.db2.gz GTFVHPIGYBFCEA-NSHDSACASA-N 1 2 246.310 1.080 20 0 BDADLO C[C@H]1C[N@@H+](CCC(=O)c2ccccc2)CC(=O)N1 ZINC000296105341 177246288 /nfs/dbraw/zinc/24/62/88/177246288.db2.gz GTFVHPIGYBFCEA-NSHDSACASA-N 1 2 246.310 1.080 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H](C)[S@@]1=O ZINC000362087491 177253161 /nfs/dbraw/zinc/25/31/61/177253161.db2.gz BOOZGLCOALYDKN-CULMDFNYSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H](C)[S@@]1=O ZINC000362087491 177253163 /nfs/dbraw/zinc/25/31/63/177253163.db2.gz BOOZGLCOALYDKN-CULMDFNYSA-N 1 2 245.388 1.254 20 0 BDADLO C[C@H]1C[N@H+](CCO)C[C@@H](c2ccsc2)O1 ZINC000246393795 177253384 /nfs/dbraw/zinc/25/33/84/177253384.db2.gz IGQTWMWZXJQGGJ-ONGXEEELSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@H]1C[N@@H+](CCO)C[C@@H](c2ccsc2)O1 ZINC000246393795 177253385 /nfs/dbraw/zinc/25/33/85/177253385.db2.gz IGQTWMWZXJQGGJ-ONGXEEELSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000029174675 177264846 /nfs/dbraw/zinc/26/48/46/177264846.db2.gz PRJCXNHIIDJLSD-PHIMTYICSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000029174675 177264849 /nfs/dbraw/zinc/26/48/49/177264849.db2.gz PRJCXNHIIDJLSD-PHIMTYICSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)c2)C[C@H](C)[S@@]1=O ZINC000336628112 177267216 /nfs/dbraw/zinc/26/72/16/177267216.db2.gz RHNOSSANGIUYGM-CULMDFNYSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@H](C)[S@@]1=O ZINC000336628112 177267217 /nfs/dbraw/zinc/26/72/17/177267217.db2.gz RHNOSSANGIUYGM-CULMDFNYSA-N 1 2 240.372 1.366 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@]2(CCOC2)O1 ZINC000280642794 177268351 /nfs/dbraw/zinc/26/83/51/177268351.db2.gz YIKQTOCNISIUNC-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@]2(CCOC2)O1 ZINC000280642794 177268352 /nfs/dbraw/zinc/26/83/52/177268352.db2.gz YIKQTOCNISIUNC-JQWIXIFHSA-N 1 2 238.287 1.054 20 0 BDADLO C[C@H]1C[N@H+](Cc2cncnc2)C[C@H](C2CC2)O1 ZINC000280674555 177268746 /nfs/dbraw/zinc/26/87/46/177268746.db2.gz UKUGTTNZDQEKKK-GXFFZTMASA-N 1 2 233.315 1.476 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cncnc2)C[C@H](C2CC2)O1 ZINC000280674555 177268749 /nfs/dbraw/zinc/26/87/49/177268749.db2.gz UKUGTTNZDQEKKK-GXFFZTMASA-N 1 2 233.315 1.476 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000336293114 177273927 /nfs/dbraw/zinc/27/39/27/177273927.db2.gz IGVWECJDZYHDLO-UWVGGRQHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000336293114 177273928 /nfs/dbraw/zinc/27/39/28/177273928.db2.gz IGVWECJDZYHDLO-UWVGGRQHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccccc1F)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168401 177274375 /nfs/dbraw/zinc/27/43/75/177274375.db2.gz KVHQOLHKLNZCLW-UWVGGRQHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccccc1F)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296168401 177274376 /nfs/dbraw/zinc/27/43/76/177274376.db2.gz KVHQOLHKLNZCLW-UWVGGRQHSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000334054571 177295478 /nfs/dbraw/zinc/29/54/78/177295478.db2.gz UCPOBLCKUZYOEI-ONGXEEELSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000334054571 177295479 /nfs/dbraw/zinc/29/54/79/177295479.db2.gz UCPOBLCKUZYOEI-ONGXEEELSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccncc1F ZINC000336226246 177299417 /nfs/dbraw/zinc/29/94/17/177299417.db2.gz PDZIOOBHSRGWQK-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccncc1F ZINC000336226246 177299419 /nfs/dbraw/zinc/29/94/19/177299419.db2.gz PDZIOOBHSRGWQK-AOOOYVTPSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccccn2)[C@@H](C)CO1 ZINC000299668244 177302309 /nfs/dbraw/zinc/30/23/09/177302309.db2.gz RPHKWMWFIDNJJT-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H](C)CO1 ZINC000299668244 177302310 /nfs/dbraw/zinc/30/23/10/177302310.db2.gz RPHKWMWFIDNJJT-WDEREUQCSA-N 1 2 206.289 1.691 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365510031 177340262 /nfs/dbraw/zinc/34/02/62/177340262.db2.gz BLGWAAMNRDRIAK-UHTWSYAYSA-N 1 2 246.310 1.717 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000371496003 177340411 /nfs/dbraw/zinc/34/04/11/177340411.db2.gz WHJTUTKEHGXXCI-JQWIXIFHSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCc1[nH+]ccn1C ZINC000354257264 177342113 /nfs/dbraw/zinc/34/21/13/177342113.db2.gz VHPLFARTYGGUJT-DTWKUNHWSA-N 1 2 207.277 1.082 20 0 BDADLO C[C@H]1C[C@H]([NH2+]Cc2ccnn2C)c2nccn21 ZINC000345341155 177370982 /nfs/dbraw/zinc/37/09/82/177370982.db2.gz CNJVNWBPOYEIEG-ONGXEEELSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000352769754 177378773 /nfs/dbraw/zinc/37/87/73/177378773.db2.gz KIVFUIANKGFYSP-JQWIXIFHSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@H]1[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C1(F)F ZINC000335652728 177422894 /nfs/dbraw/zinc/42/28/94/177422894.db2.gz BSAGHQNCAZZEFG-IONNQARKSA-N 1 2 243.257 1.280 20 0 BDADLO Cn1ccc(C[N@H+](Cc2cccnc2)C2CC2)n1 ZINC000271977459 487640946 /nfs/dbraw/zinc/64/09/46/487640946.db2.gz DECPGDKAHZFJKQ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1ccc(C[N@@H+](Cc2cccnc2)C2CC2)n1 ZINC000271977459 487640949 /nfs/dbraw/zinc/64/09/49/487640949.db2.gz DECPGDKAHZFJKQ-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO COC1(CO)CC[NH+](Cc2cscn2)CC1 ZINC000401768719 225242809 /nfs/dbraw/zinc/24/28/09/225242809.db2.gz ZZGURYQKPNXPED-UHFFFAOYSA-N 1 2 242.344 1.116 20 0 BDADLO COc1ncccc1C[NH2+][C@@H](C)c1ccon1 ZINC000488320870 225372159 /nfs/dbraw/zinc/37/21/59/225372159.db2.gz OKRDOXQGHCCHOF-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO CCn1ncnc1C[N@H+](C[C@@H](C)OC)C(C)C ZINC000488443507 225399128 /nfs/dbraw/zinc/39/91/28/225399128.db2.gz OIMWAEVSDWWIGA-LLVKDONJSA-N 1 2 240.351 1.543 20 0 BDADLO CCn1ncnc1C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000488443507 225399129 /nfs/dbraw/zinc/39/91/29/225399129.db2.gz OIMWAEVSDWWIGA-LLVKDONJSA-N 1 2 240.351 1.543 20 0 BDADLO CC[C@@H](OC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000557047584 322933684 /nfs/dbraw/zinc/93/36/84/322933684.db2.gz NUIADZJRUBDXHS-HTQZYQBOSA-N 1 2 211.265 1.012 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@@H]21 ZINC000492814170 226058541 /nfs/dbraw/zinc/05/85/41/226058541.db2.gz SVPXRDYYHXXAKW-JOEPOWSHSA-N 1 2 217.272 1.434 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000492821964 226059785 /nfs/dbraw/zinc/05/97/85/226059785.db2.gz GEOJIJQLPXHXJJ-NNOMMRTBSA-N 1 2 231.299 1.681 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCC(F)(F)F ZINC000492898945 226078735 /nfs/dbraw/zinc/07/87/35/226078735.db2.gz LKUYULRYHFRECD-IHWYPQMZSA-N 1 2 247.220 1.882 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCOCC1 ZINC000492904937 226080855 /nfs/dbraw/zinc/08/08/55/226080855.db2.gz YDFUXOYGAYUOSA-NSCUHMNNSA-N 1 2 235.287 1.060 20 0 BDADLO COCCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492904664 226081050 /nfs/dbraw/zinc/08/10/50/226081050.db2.gz XMXNPBRMZOMPEH-IHWYPQMZSA-N 1 2 249.314 1.356 20 0 BDADLO COC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492910778 226081736 /nfs/dbraw/zinc/08/17/36/226081736.db2.gz JYBOTUSYGGQWTB-ARJAWSKDSA-N 1 2 235.287 1.108 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000492955616 226090877 /nfs/dbraw/zinc/09/08/77/226090877.db2.gz QVMRVTSAVQEVHI-PHVWZEQKSA-N 1 2 245.282 1.145 20 0 BDADLO Cn1ccc(/C=C\C(=O)NCCn2cc[nH+]c2)c1 ZINC000492983828 226096889 /nfs/dbraw/zinc/09/68/89/226096889.db2.gz NBGXPEKZFGKLBD-IHWYPQMZSA-N 1 2 244.298 1.051 20 0 BDADLO Cn1ccc(/C=C/C(=O)NCCn2cc[nH+]c2)c1 ZINC000492983829 226097217 /nfs/dbraw/zinc/09/72/17/226097217.db2.gz NBGXPEKZFGKLBD-NSCUHMNNSA-N 1 2 244.298 1.051 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1(C(F)F)CC1 ZINC000493281281 226173905 /nfs/dbraw/zinc/17/39/05/226173905.db2.gz CYBRHJWIOQIKRP-OWOJBTEDSA-N 1 2 241.241 1.584 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@@H](C2CC2)C1 ZINC000493420492 226211404 /nfs/dbraw/zinc/21/14/04/226211404.db2.gz OBIUBLBHCMSGAJ-AAOUONPWSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(/C=C/c1cncs1)NCc1[nH]cc[nH+]1 ZINC000493487350 226230422 /nfs/dbraw/zinc/23/04/22/226230422.db2.gz FZRSPBCVQFPORC-OWOJBTEDSA-N 1 2 234.284 1.196 20 0 BDADLO CN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CCCC1 ZINC000493501037 226234344 /nfs/dbraw/zinc/23/43/44/226234344.db2.gz TWTLYXSHYDEIIM-SREVYHEPSA-N 1 2 219.288 1.824 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)/C=C/C(C)(C)C)c1 ZINC000493508173 226235606 /nfs/dbraw/zinc/23/56/06/226235606.db2.gz CHGIZNQEIAAWAD-FNORWQNLSA-N 1 2 235.331 1.681 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N(CC(F)F)C1CC1 ZINC000493531493 226240571 /nfs/dbraw/zinc/24/05/71/226240571.db2.gz UEWGZRLJVPUOOS-ARJAWSKDSA-N 1 2 241.241 1.679 20 0 BDADLO CO[C@@H]1CCN(C(=O)/C=C\c2[nH]cc[nH+]2)[C@H](C)C1 ZINC000493613362 226246018 /nfs/dbraw/zinc/24/60/18/226246018.db2.gz OXGCFXCUNYIHBK-ANDSXOESSA-N 1 2 249.314 1.449 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCOC[C@H]1C1CC1 ZINC000493639323 226247219 /nfs/dbraw/zinc/24/72/19/226247219.db2.gz CXNWFMYLCPZJIH-BYCRGOAPSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(CCO)CCCC1 ZINC000493721628 226251041 /nfs/dbraw/zinc/25/10/41/226251041.db2.gz LBKFPLMCTASPIP-ARJAWSKDSA-N 1 2 249.314 1.234 20 0 BDADLO C[C@H](O)[C@@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493798195 226254740 /nfs/dbraw/zinc/25/47/40/226254740.db2.gz WENNLUUIKSFECT-PZIAFJOJSA-N 1 2 249.314 1.185 20 0 BDADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCO[C@H]2CCC[C@H]21 ZINC000493825226 226256022 /nfs/dbraw/zinc/25/60/22/226256022.db2.gz PQIRCEQCAHQXMI-KWKBKKAHSA-N 1 2 247.298 1.203 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)/C=C\C1CCCC1 ZINC000493846062 226256966 /nfs/dbraw/zinc/25/69/66/226256966.db2.gz CEWFOVLQTRMHNX-SREVYHEPSA-N 1 2 247.342 1.825 20 0 BDADLO C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCCO1 ZINC000493847166 226257118 /nfs/dbraw/zinc/25/71/18/226257118.db2.gz OXXWXDAYQMUKBA-FSIBCCDJSA-N 1 2 235.287 1.060 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\C1CC1 ZINC000493850035 226257181 /nfs/dbraw/zinc/25/71/81/226257181.db2.gz SJAJIKBPBNENJP-PLNGDYQASA-N 1 2 205.261 1.003 20 0 BDADLO COCCOCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494223326 226262168 /nfs/dbraw/zinc/26/21/68/226262168.db2.gz LQZQKVQXOCYCTP-JTQLQIEISA-N 1 2 237.290 1.627 20 0 BDADLO COCCOCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494223326 226262169 /nfs/dbraw/zinc/26/21/69/226262169.db2.gz LQZQKVQXOCYCTP-JTQLQIEISA-N 1 2 237.290 1.627 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C/C=C\c1ccncc1 ZINC000494982615 226273848 /nfs/dbraw/zinc/27/38/48/226273848.db2.gz WVEWGKIQMBRTBK-BTBCPRSTSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C/C=C\c1ccncc1 ZINC000494982615 226273849 /nfs/dbraw/zinc/27/38/49/226273849.db2.gz WVEWGKIQMBRTBK-BTBCPRSTSA-N 1 2 248.326 1.176 20 0 BDADLO O=C(OC1CCC1)N1CCn2c[nH+]cc2C1 ZINC000495871433 226291246 /nfs/dbraw/zinc/29/12/46/226291246.db2.gz WKMUEQKLIMQSIB-UHFFFAOYSA-N 1 2 221.260 1.388 20 0 BDADLO C[N@H+](CCCOC(C)(C)C)Cc1nnc[nH]1 ZINC000674909734 487652092 /nfs/dbraw/zinc/65/20/92/487652092.db2.gz SHRMYSMLSDSRSH-UHFFFAOYSA-N 1 2 226.324 1.442 20 0 BDADLO C[N@@H+](CCCOC(C)(C)C)Cc1nnc[nH]1 ZINC000674909734 487652096 /nfs/dbraw/zinc/65/20/96/487652096.db2.gz SHRMYSMLSDSRSH-UHFFFAOYSA-N 1 2 226.324 1.442 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000403471891 229319846 /nfs/dbraw/zinc/31/98/46/229319846.db2.gz OYVIOERMQXVRJD-AEJSXWLSSA-N 1 2 231.299 1.869 20 0 BDADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1nncs1 ZINC000174054391 229374977 /nfs/dbraw/zinc/37/49/77/229374977.db2.gz YAQZOEXGGMSZNW-HTQZYQBOSA-N 1 2 240.332 1.349 20 0 BDADLO Cc1cc(NC(=O)N2CC(n3cc[nH+]c3)C2)no1 ZINC000541073670 487679420 /nfs/dbraw/zinc/67/94/20/487679420.db2.gz BKGKCOXSHOIJEX-UHFFFAOYSA-N 1 2 247.258 1.268 20 0 BDADLO CC(=O)C(C)(C)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000676528914 487680743 /nfs/dbraw/zinc/68/07/43/487680743.db2.gz YJYICFKLLTUONL-UHFFFAOYSA-N 1 2 237.303 1.421 20 0 BDADLO O=C1NCCC[C@H]1CNc1cccc[nH+]1 ZINC000665741000 487695484 /nfs/dbraw/zinc/69/54/84/487695484.db2.gz ZBBKMQCJEAOQTL-VIFPVBQESA-N 1 2 205.261 1.020 20 0 BDADLO O=C1NCCC[C@@H]1CNc1cccc[nH+]1 ZINC000665740999 487695671 /nfs/dbraw/zinc/69/56/71/487695671.db2.gz ZBBKMQCJEAOQTL-SECBINFHSA-N 1 2 205.261 1.020 20 0 BDADLO C/C(Cl)=C\C[NH2+][C@@H](C)c1nncn1C ZINC000528442638 262948725 /nfs/dbraw/zinc/94/87/25/262948725.db2.gz FEDOGUUSHNLOGW-IPWDFOCMSA-N 1 2 214.700 1.608 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H]1C1CC1 ZINC000528473281 262950935 /nfs/dbraw/zinc/95/09/35/262950935.db2.gz FBZOLYHBQLOMTB-XXILOJSOSA-N 1 2 233.315 1.660 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671710228 487701844 /nfs/dbraw/zinc/70/18/44/487701844.db2.gz YXICZUJQYDYHPI-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671710228 487701847 /nfs/dbraw/zinc/70/18/47/487701847.db2.gz YXICZUJQYDYHPI-VGMNWLOBSA-N 1 2 241.253 1.409 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC12CCC2 ZINC000675327673 487707139 /nfs/dbraw/zinc/70/71/39/487707139.db2.gz RFSNHYIVCQUSAU-SECBINFHSA-N 1 2 219.288 1.558 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC12CCC2 ZINC000675330304 487707722 /nfs/dbraw/zinc/70/77/22/487707722.db2.gz JSUBHGJJJRFPIL-MRVPVSSYSA-N 1 2 205.261 1.216 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC12CCC2 ZINC000675335211 487712140 /nfs/dbraw/zinc/71/21/40/487712140.db2.gz VNTCGNNRHTWJDC-VIFPVBQESA-N 1 2 205.261 1.216 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC12CCC2 ZINC000675335211 487712143 /nfs/dbraw/zinc/71/21/43/487712143.db2.gz VNTCGNNRHTWJDC-VIFPVBQESA-N 1 2 205.261 1.216 20 0 BDADLO COC(=O)[C@@H]1CCC[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001172611797 974888383 /nfs/dbraw/zinc/88/83/83/974888383.db2.gz QQWAUIFHMRQCEL-GWOFURMSSA-N 1 2 247.285 1.710 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC12CCC2 ZINC000675412255 487724348 /nfs/dbraw/zinc/72/43/48/487724348.db2.gz MZQRFJFSEFKGGV-NSHDSACASA-N 1 2 245.326 1.800 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CCOCC1 ZINC000082753951 487725479 /nfs/dbraw/zinc/72/54/79/487725479.db2.gz KEEQVPFLKZALMS-UHFFFAOYSA-N 1 2 229.283 1.654 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000681105712 487725500 /nfs/dbraw/zinc/72/55/00/487725500.db2.gz GRLBWWKJDQUKCG-VOAKCMCISA-N 1 2 247.342 1.949 20 0 BDADLO C[C@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666405998 487726209 /nfs/dbraw/zinc/72/62/09/487726209.db2.gz OJBFQYWGZGEICO-UKKRHICBSA-N 1 2 233.315 1.296 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](C2CCC2)C1 ZINC000665683325 487727805 /nfs/dbraw/zinc/72/78/05/487727805.db2.gz UUAHUFKAHMAOGD-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](C2CCC2)C1 ZINC000665683325 487727810 /nfs/dbraw/zinc/72/78/10/487727810.db2.gz UUAHUFKAHMAOGD-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO CC(C)CCN(C)c1nc[nH+]c2c1OCCN2 ZINC000665693242 487732615 /nfs/dbraw/zinc/73/26/15/487732615.db2.gz UCOIMPJOHFLLFC-UHFFFAOYSA-N 1 2 236.319 1.763 20 0 BDADLO CC(C)CCN(C)c1[nH+]cnc2c1OCCN2 ZINC000665693242 487732619 /nfs/dbraw/zinc/73/26/19/487732619.db2.gz UCOIMPJOHFLLFC-UHFFFAOYSA-N 1 2 236.319 1.763 20 0 BDADLO C[C@H](Nc1nc[nH+]c2c1OCCN2)C1CCC1 ZINC000665709003 487735584 /nfs/dbraw/zinc/73/55/84/487735584.db2.gz NMHBYYZOBXFFDE-QMMMGPOBSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1OCCN2)C1CCC1 ZINC000665709003 487735589 /nfs/dbraw/zinc/73/55/89/487735589.db2.gz NMHBYYZOBXFFDE-QMMMGPOBSA-N 1 2 234.303 1.881 20 0 BDADLO C[C@H](O)CNc1cc(NC2CC=CC2)nc[nH+]1 ZINC000665706372 487736375 /nfs/dbraw/zinc/73/63/75/487736375.db2.gz CSSZWGIOLBDDLM-VIFPVBQESA-N 1 2 234.303 1.400 20 0 BDADLO C[C@H](O)CNc1cc(NC2CC=CC2)[nH+]cn1 ZINC000665706372 487736380 /nfs/dbraw/zinc/73/63/80/487736380.db2.gz CSSZWGIOLBDDLM-VIFPVBQESA-N 1 2 234.303 1.400 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000665714100 487737369 /nfs/dbraw/zinc/73/73/69/487737369.db2.gz SPOGRZTWDWLISH-WCBMZHEXSA-N 1 2 234.303 1.010 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000665714100 487737374 /nfs/dbraw/zinc/73/73/74/487737374.db2.gz SPOGRZTWDWLISH-WCBMZHEXSA-N 1 2 234.303 1.010 20 0 BDADLO c1nc(NCC2=CCOCC2)c2c([nH+]1)NCCO2 ZINC000665721312 487740490 /nfs/dbraw/zinc/74/04/90/487740490.db2.gz IVWUCQJJVQHILR-UHFFFAOYSA-N 1 2 248.286 1.040 20 0 BDADLO c1nc2c(c(NCC3=CCOCC3)[nH+]1)OCCN2 ZINC000665721312 487740491 /nfs/dbraw/zinc/74/04/91/487740491.db2.gz IVWUCQJJVQHILR-UHFFFAOYSA-N 1 2 248.286 1.040 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666179876 487747187 /nfs/dbraw/zinc/74/71/87/487747187.db2.gz CVXAYHGFFGNUEO-SNVBAGLBSA-N 1 2 235.331 1.629 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666179876 487747192 /nfs/dbraw/zinc/74/71/92/487747192.db2.gz CVXAYHGFFGNUEO-SNVBAGLBSA-N 1 2 235.331 1.629 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000109530612 487762793 /nfs/dbraw/zinc/76/27/93/487762793.db2.gz UBILELLWRVQHKJ-VIFPVBQESA-N 1 2 225.292 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CCCC[C@@H]2C)no1 ZINC000109530612 487762796 /nfs/dbraw/zinc/76/27/96/487762796.db2.gz UBILELLWRVQHKJ-VIFPVBQESA-N 1 2 225.292 1.590 20 0 BDADLO CC[C@@H](CC(F)(F)F)Nc1nc(C)[nH+]c(N)n1 ZINC000631216915 487762646 /nfs/dbraw/zinc/76/26/46/487762646.db2.gz CZWNIVHGTQSHPV-LURJTMIESA-N 1 2 249.240 1.735 20 0 BDADLO CC[C@@H](CC(F)(F)F)Nc1nc(N)nc(C)[nH+]1 ZINC000631216915 487762652 /nfs/dbraw/zinc/76/26/52/487762652.db2.gz CZWNIVHGTQSHPV-LURJTMIESA-N 1 2 249.240 1.735 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000684096260 487764340 /nfs/dbraw/zinc/76/43/40/487764340.db2.gz VJXCTYZJZRENOC-VIFPVBQESA-N 1 2 247.302 1.407 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2cn[nH]c2)n1 ZINC000684096255 487764103 /nfs/dbraw/zinc/76/41/03/487764103.db2.gz VJXCTYZJZRENOC-SECBINFHSA-N 1 2 247.302 1.407 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000684096255 487764107 /nfs/dbraw/zinc/76/41/07/487764107.db2.gz VJXCTYZJZRENOC-SECBINFHSA-N 1 2 247.302 1.407 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2cn[nH]c2)n1 ZINC000684096260 487764336 /nfs/dbraw/zinc/76/43/36/487764336.db2.gz VJXCTYZJZRENOC-VIFPVBQESA-N 1 2 247.302 1.407 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC=CCC1 ZINC000668923472 487765753 /nfs/dbraw/zinc/76/57/53/487765753.db2.gz ATMLSVVBTWZKCD-QJPTWQEYSA-N 1 2 245.326 1.749 20 0 BDADLO C[C@@H](O)CNc1cc(NCCC2CC2)[nH+]cn1 ZINC000298854730 487768089 /nfs/dbraw/zinc/76/80/89/487768089.db2.gz JDEJCRBNYLTPMC-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@@H](O)CNc1cc(NCCC2CC2)nc[nH+]1 ZINC000298854730 487768095 /nfs/dbraw/zinc/76/80/95/487768095.db2.gz JDEJCRBNYLTPMC-SECBINFHSA-N 1 2 236.319 1.481 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000668448832 487770518 /nfs/dbraw/zinc/77/05/18/487770518.db2.gz WQUYDOGWKVXRPB-JTQLQIEISA-N 1 2 247.298 1.840 20 0 BDADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCCF ZINC000651535525 487773597 /nfs/dbraw/zinc/77/35/97/487773597.db2.gz SUHCXOUTEZGCFN-UHFFFAOYSA-N 1 2 239.294 1.238 20 0 BDADLO CC(C)[N@H+](Cc1cc2n(n1)CCC2)C1COC1 ZINC000649619393 487774200 /nfs/dbraw/zinc/77/42/00/487774200.db2.gz KXJJXEICTXYJFM-UHFFFAOYSA-N 1 2 235.331 1.439 20 0 BDADLO CC(C)[N@@H+](Cc1cc2n(n1)CCC2)C1COC1 ZINC000649619393 487774204 /nfs/dbraw/zinc/77/42/04/487774204.db2.gz KXJJXEICTXYJFM-UHFFFAOYSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)C1CCCC1 ZINC000681344174 487780578 /nfs/dbraw/zinc/78/05/78/487780578.db2.gz JOQNZPXNQADWFL-NSHDSACASA-N 1 2 249.358 1.905 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)C[C@@H]1CCCO1 ZINC000681358129 487783742 /nfs/dbraw/zinc/78/37/42/487783742.db2.gz QTIBYNDIMQUOID-JTQLQIEISA-N 1 2 249.314 1.077 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1ccnn1CC ZINC000385524126 487788335 /nfs/dbraw/zinc/78/83/35/487788335.db2.gz TUNFTDWXEAOUEX-UHFFFAOYSA-N 1 2 233.319 1.409 20 0 BDADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC000296406023 487792741 /nfs/dbraw/zinc/79/27/41/487792741.db2.gz WFPFGKUVMFAHQY-VIFPVBQESA-N 1 2 202.261 1.656 20 0 BDADLO C[C@H]([NH2+]Cc1c[nH]nn1)c1ccccc1 ZINC000296406023 487792747 /nfs/dbraw/zinc/79/27/47/487792747.db2.gz WFPFGKUVMFAHQY-VIFPVBQESA-N 1 2 202.261 1.656 20 0 BDADLO C[C@H]([NH2+]Cc1cn[nH]n1)c1ccccc1 ZINC000296406023 487792752 /nfs/dbraw/zinc/79/27/52/487792752.db2.gz WFPFGKUVMFAHQY-VIFPVBQESA-N 1 2 202.261 1.656 20 0 BDADLO O=C1NCCC[C@H]1[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675968487 487798151 /nfs/dbraw/zinc/79/81/51/487798151.db2.gz QVVQXQGLMTTXRW-CHWSQXEVSA-N 1 2 248.301 1.851 20 0 BDADLO O=C1NCCC[C@H]1[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675968487 487798153 /nfs/dbraw/zinc/79/81/53/487798153.db2.gz QVVQXQGLMTTXRW-CHWSQXEVSA-N 1 2 248.301 1.851 20 0 BDADLO Cc1cc(CSc2nc(N)cc(C)[nH+]2)nn1C ZINC000676026894 487800008 /nfs/dbraw/zinc/80/00/08/487800008.db2.gz OMXFQJKOYGMQLB-UHFFFAOYSA-N 1 2 249.343 1.701 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CC1=CCCC1 ZINC000592085123 487805232 /nfs/dbraw/zinc/80/52/32/487805232.db2.gz ZZFFSYJWLMNYAB-LBPRGKRZSA-N 1 2 241.331 1.607 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CC1=CCCC1 ZINC000592085123 487805238 /nfs/dbraw/zinc/80/52/38/487805238.db2.gz ZZFFSYJWLMNYAB-LBPRGKRZSA-N 1 2 241.331 1.607 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CC=CCC2)[nH+]1 ZINC000676080545 487810459 /nfs/dbraw/zinc/81/04/59/487810459.db2.gz QFOUJRRXLYFPQI-JTQLQIEISA-N 1 2 233.319 1.767 20 0 BDADLO Cc1nc(N[C@H]2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000676080545 487810465 /nfs/dbraw/zinc/81/04/65/487810465.db2.gz QFOUJRRXLYFPQI-JTQLQIEISA-N 1 2 233.319 1.767 20 0 BDADLO C[C@@H](CC(=O)N1CCC(F)(F)C1)n1cc[nH+]c1 ZINC000651665830 487813075 /nfs/dbraw/zinc/81/30/75/487813075.db2.gz HVOXRXHCHJUFOV-VIFPVBQESA-N 1 2 243.257 1.702 20 0 BDADLO O=C(NC1CC=CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681553479 487814949 /nfs/dbraw/zinc/81/49/49/487814949.db2.gz CYTYCXVTYITVCY-JTQLQIEISA-N 1 2 231.299 1.280 20 0 BDADLO Cc1cccc(NC(=O)Cc2c[nH+]cn2C)c1O ZINC000681553431 487815039 /nfs/dbraw/zinc/81/50/39/487815039.db2.gz BZLYEOKJQGXMSI-UHFFFAOYSA-N 1 2 245.282 1.615 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000666492314 487820946 /nfs/dbraw/zinc/82/09/46/487820946.db2.gz CEBGWTIXULOZNP-QWRGUYRKSA-N 1 2 231.299 1.686 20 0 BDADLO O=C(C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828208 487822650 /nfs/dbraw/zinc/82/26/50/487822650.db2.gz GFYFXORMZYJBPQ-UHFFFAOYSA-N 1 2 219.288 1.526 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOC[C@H]1C ZINC000668068942 487826499 /nfs/dbraw/zinc/82/64/99/487826499.db2.gz AAYXPXNSDQDOTO-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOC[C@H]1C ZINC000668068942 487826503 /nfs/dbraw/zinc/82/65/03/487826503.db2.gz AAYXPXNSDQDOTO-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCC(C)(C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000558049074 322945703 /nfs/dbraw/zinc/94/57/03/322945703.db2.gz YGKVYUWPTSWKPU-UHFFFAOYSA-N 1 2 236.319 1.250 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC(C)(C)CO)[nH+]1 ZINC000676352785 487842039 /nfs/dbraw/zinc/84/20/39/487842039.db2.gz FZHVEBOERWEMOW-UHFFFAOYSA-N 1 2 234.303 1.697 20 0 BDADLO CCOC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000681691273 487842021 /nfs/dbraw/zinc/84/20/21/487842021.db2.gz UKKJLMYRJNSEKY-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493856696 528953845 /nfs/dbraw/zinc/95/38/45/528953845.db2.gz OVDKPRXPPNWDKO-PORFMDCZSA-N 1 2 221.304 1.926 20 0 BDADLO CC(C)C(NC(=O)Cn1cc[nH+]c1)C(C)C ZINC000676400150 487846251 /nfs/dbraw/zinc/84/62/51/487846251.db2.gz MMWGJCGCHFUNDK-UHFFFAOYSA-N 1 2 223.320 1.680 20 0 BDADLO CC(C)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000668152049 487852461 /nfs/dbraw/zinc/85/24/61/487852461.db2.gz XQFSOOLVAIOEQS-VXGBXAGGSA-N 1 2 247.342 1.923 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCCOC[C@@H]2C)[nH+]1 ZINC000676491908 487856865 /nfs/dbraw/zinc/85/68/65/487856865.db2.gz BSSMQSYYQHZZGQ-VIFPVBQESA-N 1 2 246.314 1.882 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)NCc1c[nH+]cn1C ZINC000415717597 487864655 /nfs/dbraw/zinc/86/46/55/487864655.db2.gz YPADKYOWHCTGMM-NSHDSACASA-N 1 2 239.319 1.097 20 0 BDADLO CC(C)(C)[C@H](O)C[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000676539119 487869916 /nfs/dbraw/zinc/86/99/16/487869916.db2.gz PGNBWRRLIBCRJF-RKDXNWHRSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)(C)[C@H](O)C[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000676539119 487869919 /nfs/dbraw/zinc/86/99/19/487869919.db2.gz PGNBWRRLIBCRJF-RKDXNWHRSA-N 1 2 237.290 1.095 20 0 BDADLO CCSCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000132398793 322969085 /nfs/dbraw/zinc/96/90/85/322969085.db2.gz RCSBPFFUTOWESM-VIFPVBQESA-N 1 2 219.350 1.527 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2cocn2)C1 ZINC000668515799 487881552 /nfs/dbraw/zinc/88/15/52/487881552.db2.gz ZEGZPZLOJLDYNY-UHFFFAOYSA-N 1 2 236.315 1.923 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccn(C)c2)o1 ZINC000668521450 487886844 /nfs/dbraw/zinc/88/68/44/487886844.db2.gz MVEDCZHXLNVYLG-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccn(C)c2)o1 ZINC000668521450 487886854 /nfs/dbraw/zinc/88/68/54/487886854.db2.gz MVEDCZHXLNVYLG-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Oc1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000670273149 487895607 /nfs/dbraw/zinc/89/56/07/487895607.db2.gz TXRFCBVCLYCNKX-UHFFFAOYSA-N 1 2 219.284 1.757 20 0 BDADLO Oc1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000670273149 487895610 /nfs/dbraw/zinc/89/56/10/487895610.db2.gz TXRFCBVCLYCNKX-UHFFFAOYSA-N 1 2 219.284 1.757 20 0 BDADLO CCc1cc(N2CCC[C@H]2COC)nc(C)[nH+]1 ZINC000679838770 487898158 /nfs/dbraw/zinc/89/81/58/487898158.db2.gz MTXAULCGRVUJRG-LBPRGKRZSA-N 1 2 235.331 1.963 20 0 BDADLO CCc1cc(N2CCC[C@@H]2COC)nc(C)[nH+]1 ZINC000679838769 487898226 /nfs/dbraw/zinc/89/82/26/487898226.db2.gz MTXAULCGRVUJRG-GFCCVEGCSA-N 1 2 235.331 1.963 20 0 BDADLO CC1(C)CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000668536491 487900251 /nfs/dbraw/zinc/90/02/51/487900251.db2.gz UWJORRDCBNUFOU-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000676718833 487905255 /nfs/dbraw/zinc/90/52/55/487905255.db2.gz DSVZEBVWODNKMC-NXEZZACHSA-N 1 2 219.275 2.000 20 0 BDADLO FC(F)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000676718833 487905258 /nfs/dbraw/zinc/90/52/58/487905258.db2.gz DSVZEBVWODNKMC-NXEZZACHSA-N 1 2 219.275 2.000 20 0 BDADLO COC(=O)C[N@H+](Cc1cccn1C)C(C)C ZINC000093287426 487910337 /nfs/dbraw/zinc/91/03/37/487910337.db2.gz RABCFUZSNQNOPF-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccn1C)C(C)C ZINC000093287426 487910341 /nfs/dbraw/zinc/91/03/41/487910341.db2.gz RABCFUZSNQNOPF-UHFFFAOYSA-N 1 2 224.304 1.409 20 0 BDADLO COc1ccc2[nH+]c(C)cc(OCC(N)=O)c2c1 ZINC000192976450 487910922 /nfs/dbraw/zinc/91/09/22/487910922.db2.gz BKOFURRLWXUEQT-UHFFFAOYSA-N 1 2 246.266 1.416 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1 ZINC000310043478 487911788 /nfs/dbraw/zinc/91/17/88/487911788.db2.gz QULQZDFEUOAWRH-HJHHMULASA-N 1 2 233.311 1.393 20 0 BDADLO OC[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1 ZINC000310043478 487911792 /nfs/dbraw/zinc/91/17/92/487911792.db2.gz QULQZDFEUOAWRH-HJHHMULASA-N 1 2 233.311 1.393 20 0 BDADLO CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000669900539 487913596 /nfs/dbraw/zinc/91/35/96/487913596.db2.gz WBHDVCRLBRJYSL-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC[N@@H+](Cc1nnn(C(C)(C)C)n1)CC(C)C ZINC000653493165 487926515 /nfs/dbraw/zinc/92/65/15/487926515.db2.gz MNHGROYMVBIJIR-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO CC[N@H+](Cc1nnn(C(C)(C)C)n1)CC(C)C ZINC000653493165 487926517 /nfs/dbraw/zinc/92/65/17/487926517.db2.gz MNHGROYMVBIJIR-UHFFFAOYSA-N 1 2 239.367 1.906 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)[C@H]1C ZINC000380638080 487927124 /nfs/dbraw/zinc/92/71/24/487927124.db2.gz NNHLJQJPXZEEDR-ZJUUUORDSA-N 1 2 206.289 1.809 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676797005 487932266 /nfs/dbraw/zinc/93/22/66/487932266.db2.gz GIMIKTAKUKOPPU-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1ccncc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000676797005 487932273 /nfs/dbraw/zinc/93/22/73/487932273.db2.gz GIMIKTAKUKOPPU-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO CCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676842151 487936914 /nfs/dbraw/zinc/93/69/14/487936914.db2.gz OLRBZKBRCLSGJF-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000340290280 487937685 /nfs/dbraw/zinc/93/76/85/487937685.db2.gz RZOMKPZGDPEFCM-GFCCVEGCSA-N 1 2 238.335 1.442 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000340290280 487937690 /nfs/dbraw/zinc/93/76/90/487937690.db2.gz RZOMKPZGDPEFCM-GFCCVEGCSA-N 1 2 238.335 1.442 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000340290280 487937695 /nfs/dbraw/zinc/93/76/95/487937695.db2.gz RZOMKPZGDPEFCM-GFCCVEGCSA-N 1 2 238.335 1.442 20 0 BDADLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000340290280 487937698 /nfs/dbraw/zinc/93/76/98/487937698.db2.gz RZOMKPZGDPEFCM-GFCCVEGCSA-N 1 2 238.335 1.442 20 0 BDADLO Oc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000669621232 487940398 /nfs/dbraw/zinc/94/03/98/487940398.db2.gz NQXHGFIYHGRKBV-AWEZNQCLSA-N 1 2 249.310 1.384 20 0 BDADLO Oc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000669621232 487940404 /nfs/dbraw/zinc/94/04/04/487940404.db2.gz NQXHGFIYHGRKBV-AWEZNQCLSA-N 1 2 249.310 1.384 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H](C(F)(F)F)O1 ZINC000684618128 487947004 /nfs/dbraw/zinc/94/70/04/487947004.db2.gz JYGFFJYTEDXCJK-VXNVDRBHSA-N 1 2 249.236 1.561 20 0 BDADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H](C(F)(F)F)O1 ZINC000684618128 487947008 /nfs/dbraw/zinc/94/70/08/487947008.db2.gz JYGFFJYTEDXCJK-VXNVDRBHSA-N 1 2 249.236 1.561 20 0 BDADLO CC(C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000676942629 487948106 /nfs/dbraw/zinc/94/81/06/487948106.db2.gz XFPPAQMPLHBGLT-JTQLQIEISA-N 1 2 209.293 1.434 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH]cn2)C1 ZINC000684619573 487948218 /nfs/dbraw/zinc/94/82/18/487948218.db2.gz FCJSNNNNXKZJDN-SSDOTTSWSA-N 1 2 219.210 1.794 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000684619573 487948222 /nfs/dbraw/zinc/94/82/22/487948222.db2.gz FCJSNNNNXKZJDN-SSDOTTSWSA-N 1 2 219.210 1.794 20 0 BDADLO CCC[C@H](NCc1[nH+]ccn1CC)C(=O)OC ZINC000530441867 322812204 /nfs/dbraw/zinc/81/22/04/322812204.db2.gz GHOYTOXOBFPWQA-JTQLQIEISA-N 1 2 239.319 1.334 20 0 BDADLO CC(C)n1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000569510962 322968551 /nfs/dbraw/zinc/96/85/51/322968551.db2.gz SOGFHKZXABYCKX-SECBINFHSA-N 1 2 247.302 1.678 20 0 BDADLO CC[C@@H]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000560328372 322985683 /nfs/dbraw/zinc/98/56/83/322985683.db2.gz ZYSZBIIKKMFHRX-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@H]1CC[C@@H]1Nc1[nH+]cnc(-n2cccn2)c1N ZINC000561437751 323001606 /nfs/dbraw/zinc/00/16/06/323001606.db2.gz YCOOIMHYQMVNEG-IUCAKERBSA-N 1 2 244.302 1.455 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC=CCC1 ZINC000653173485 487956711 /nfs/dbraw/zinc/95/67/11/487956711.db2.gz FEISYMXRLPRUOA-LLVKDONJSA-N 1 2 248.330 1.936 20 0 BDADLO CC(=O)Nc1ccccc1CNc1c[nH]c[nH+]1 ZINC000562449982 323020558 /nfs/dbraw/zinc/02/05/58/323020558.db2.gz MRZVGHDGCOJEDQ-UHFFFAOYSA-N 1 2 230.271 1.980 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000562472453 323021218 /nfs/dbraw/zinc/02/12/18/323021218.db2.gz FZYSAOFFBUHHDI-VXGBXAGGSA-N 1 2 249.314 1.419 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134019266 323021366 /nfs/dbraw/zinc/02/13/66/323021366.db2.gz ISOARUGATWXMRL-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134019266 323021367 /nfs/dbraw/zinc/02/13/67/323021367.db2.gz ISOARUGATWXMRL-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000562636511 323025882 /nfs/dbraw/zinc/02/58/82/323025882.db2.gz JRXMWYRUYTVFNQ-LBPRGKRZSA-N 1 2 235.331 1.968 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC=CCC1 ZINC000569787200 323040459 /nfs/dbraw/zinc/04/04/59/323040459.db2.gz ZILOCQFXHPMHCI-CYBMUJFWSA-N 1 2 233.315 1.578 20 0 BDADLO O[C@@H]1CC[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000570156627 323051185 /nfs/dbraw/zinc/05/11/85/323051185.db2.gz IVLIEDFCDCTZBX-GHMZBOCLSA-N 1 2 248.330 1.402 20 0 BDADLO O[C@@H]1CC[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000570156627 323051186 /nfs/dbraw/zinc/05/11/86/323051186.db2.gz IVLIEDFCDCTZBX-GHMZBOCLSA-N 1 2 248.330 1.402 20 0 BDADLO COC(C)(C)C[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000570231101 323053610 /nfs/dbraw/zinc/05/36/10/323053610.db2.gz JXAMRZSUWDFIJM-UHFFFAOYSA-N 1 2 240.351 1.785 20 0 BDADLO COC(C)(C)C[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000570231101 323053611 /nfs/dbraw/zinc/05/36/11/323053611.db2.gz JXAMRZSUWDFIJM-UHFFFAOYSA-N 1 2 240.351 1.785 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)CF ZINC000570294808 323055703 /nfs/dbraw/zinc/05/57/03/323055703.db2.gz XVUHLZMHHQCYTL-MRVPVSSYSA-N 1 2 227.283 1.453 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)CF ZINC000570294808 323055704 /nfs/dbraw/zinc/05/57/04/323055704.db2.gz XVUHLZMHHQCYTL-MRVPVSSYSA-N 1 2 227.283 1.453 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2cccc(CO)c2)C1 ZINC000570408034 323058765 /nfs/dbraw/zinc/05/87/65/323058765.db2.gz UMGBGBSHIOHTCD-UHFFFAOYSA-N 1 2 248.326 1.459 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000570509809 323061805 /nfs/dbraw/zinc/06/18/05/323061805.db2.gz MUPYZFSQVROABD-RXMQYKEDSA-N 1 2 221.169 1.545 20 0 BDADLO CCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570635472 323065491 /nfs/dbraw/zinc/06/54/91/323065491.db2.gz IHWCIQDWXQYXES-SNVBAGLBSA-N 1 2 209.293 1.751 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@](C)(F)C1 ZINC000570696219 323067552 /nfs/dbraw/zinc/06/75/52/323067552.db2.gz JLMVDMABYCDQSN-JTQLQIEISA-N 1 2 226.255 1.006 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@](C)(F)C1 ZINC000570696219 323067553 /nfs/dbraw/zinc/06/75/53/323067553.db2.gz JLMVDMABYCDQSN-JTQLQIEISA-N 1 2 226.255 1.006 20 0 BDADLO C[C@H](CC(=O)N[C@H]1CO[C@H](C)C1)n1cc[nH+]c1 ZINC000570727905 323068745 /nfs/dbraw/zinc/06/87/45/323068745.db2.gz VNYWDBPYKPYZNU-GMTAPVOTSA-N 1 2 237.303 1.128 20 0 BDADLO Cc1cc(NC(=O)NC[C@H](O)C2CCC2)cc[nH+]1 ZINC000570793540 323070530 /nfs/dbraw/zinc/07/05/30/323070530.db2.gz IVVQHKWHHPTVQB-LBPRGKRZSA-N 1 2 249.314 1.094 20 0 BDADLO CCO[C@@H](CC)C(=O)NCc1[nH+]ccn1CC ZINC000570921507 323074445 /nfs/dbraw/zinc/07/44/45/323074445.db2.gz PKJGRXUFHGDJFM-JTQLQIEISA-N 1 2 239.319 1.334 20 0 BDADLO CC(C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000562972040 323077606 /nfs/dbraw/zinc/07/76/06/323077606.db2.gz RCTPBQVPAHMBPK-VIFPVBQESA-N 1 2 227.333 1.305 20 0 BDADLO CCO/C=C\C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000493587931 323086796 /nfs/dbraw/zinc/08/67/96/323086796.db2.gz QOAIOIZIBAURDG-PWWFUAJNSA-N 1 2 249.314 1.538 20 0 BDADLO C[NH2+]Cc1noc([C@H]2NCCc3ccccc32)n1 ZINC000563118324 323093863 /nfs/dbraw/zinc/09/38/63/323093863.db2.gz APEKOIMQCJKERZ-LBPRGKRZSA-N 1 2 244.298 1.024 20 0 BDADLO CCCC[C@H]([NH2+]CC1(CC)COC1)C(=O)OC ZINC000394005355 323105266 /nfs/dbraw/zinc/10/52/66/323105266.db2.gz QZQLLDZZJUDULI-NSHDSACASA-N 1 2 243.347 1.734 20 0 BDADLO C[C@@H](CC(=O)NC1(CF)CCC1)n1cc[nH+]c1 ZINC000563284930 323108450 /nfs/dbraw/zinc/10/84/50/323108450.db2.gz FCAPCHCJZKOYSE-JTQLQIEISA-N 1 2 239.294 1.843 20 0 BDADLO CCn1cc(CN(C)Cc2[nH]cc[nH+]2)cn1 ZINC000531548518 323109457 /nfs/dbraw/zinc/10/94/57/323109457.db2.gz XOGVZZWLFAIVMP-UHFFFAOYSA-N 1 2 219.292 1.258 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCSC ZINC000534078492 323113401 /nfs/dbraw/zinc/11/34/01/323113401.db2.gz WVGRGKJQYPFCGQ-VIFPVBQESA-N 1 2 249.401 1.330 20 0 BDADLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCSC ZINC000534078492 323113402 /nfs/dbraw/zinc/11/34/02/323113402.db2.gz WVGRGKJQYPFCGQ-VIFPVBQESA-N 1 2 249.401 1.330 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000531790610 323113419 /nfs/dbraw/zinc/11/34/19/323113419.db2.gz HEOYFVUEAVLOOF-RYUDHWBXSA-N 1 2 249.314 1.224 20 0 BDADLO C[C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CCC1=O ZINC000534268291 323115162 /nfs/dbraw/zinc/11/51/62/323115162.db2.gz LBQAQMWFAVQQDD-WDEREUQCSA-N 1 2 249.314 1.005 20 0 BDADLO Cc1cc(NCc2ccn(C)n2)nc(C2CC2)[nH+]1 ZINC000534282523 323115223 /nfs/dbraw/zinc/11/52/23/323115223.db2.gz VXJRGNYFGULYMK-UHFFFAOYSA-N 1 2 243.314 1.430 20 0 BDADLO Cc1cc(NC(=O)Cc2cnn(C)c2)c(C)c[nH+]1 ZINC000534300278 323115845 /nfs/dbraw/zinc/11/58/45/323115845.db2.gz VQXYLFBXZLIOQG-UHFFFAOYSA-N 1 2 244.298 1.035 20 0 BDADLO COc1ccc[nH+]c1NCC1=CCCOC1 ZINC000309873138 323119311 /nfs/dbraw/zinc/11/93/11/323119311.db2.gz RMHDDBCPOCOARJ-UHFFFAOYSA-N 1 2 220.272 1.849 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C ZINC000563382542 323121958 /nfs/dbraw/zinc/12/19/58/323121958.db2.gz CCFDCMBQDANAOH-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C ZINC000563382542 323121959 /nfs/dbraw/zinc/12/19/59/323121959.db2.gz CCFDCMBQDANAOH-ZJUUUORDSA-N 1 2 221.304 1.599 20 0 BDADLO Cc1ncc(CNc2nc(C)[nH+]cc2C)s1 ZINC000563420627 323124085 /nfs/dbraw/zinc/12/40/85/323124085.db2.gz JPFDCPCBTHRPNS-UHFFFAOYSA-N 1 2 234.328 1.892 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1C[C@H]1C1CC1 ZINC000563426628 323126182 /nfs/dbraw/zinc/12/61/82/323126182.db2.gz UZLDARRMHAYSPX-RYUDHWBXSA-N 1 2 217.316 1.973 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2nc(C)[nH+]cc2C)C1 ZINC000563550389 323129942 /nfs/dbraw/zinc/12/99/42/323129942.db2.gz YWJSMFZLYDDYDQ-LLVKDONJSA-N 1 2 234.303 1.126 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000571316575 323141230 /nfs/dbraw/zinc/14/12/30/323141230.db2.gz VCLOSHUJXPRVBG-ZYHUDNBSSA-N 1 2 218.300 1.965 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000571316575 323141231 /nfs/dbraw/zinc/14/12/31/323141231.db2.gz VCLOSHUJXPRVBG-ZYHUDNBSSA-N 1 2 218.300 1.965 20 0 BDADLO CO[C@H]1C[N@H+](Cc2nnc(C)o2)CC[C@@H]1C ZINC000252039603 323141260 /nfs/dbraw/zinc/14/12/60/323141260.db2.gz ZFCIKRLBIFNSAD-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2nnc(C)o2)CC[C@@H]1C ZINC000252039603 323141261 /nfs/dbraw/zinc/14/12/61/323141261.db2.gz ZFCIKRLBIFNSAD-WPRPVWTQSA-N 1 2 225.292 1.235 20 0 BDADLO CN(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000571373525 323142927 /nfs/dbraw/zinc/14/29/27/323142927.db2.gz HZKJUTZZWXXVBD-ZETCQYMHSA-N 1 2 249.236 1.544 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CC=CCC1 ZINC000571372956 323142944 /nfs/dbraw/zinc/14/29/44/323142944.db2.gz BCCZMPYCBJLYOW-JTQLQIEISA-N 1 2 205.261 1.108 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H](C1CC1)C1CCC1 ZINC000571379398 323143201 /nfs/dbraw/zinc/14/32/01/323143201.db2.gz SZWHLQPNECOHON-CYBMUJFWSA-N 1 2 233.315 1.578 20 0 BDADLO Cc1cc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)nc[nH+]1 ZINC000571493548 323145952 /nfs/dbraw/zinc/14/59/52/323145952.db2.gz OTYBVHMZDKANQV-GXTWGEPZSA-N 1 2 247.342 1.994 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)on1 ZINC000571579809 323148493 /nfs/dbraw/zinc/14/84/93/323148493.db2.gz RDOYEAMMQMNIRB-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1cc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)on1 ZINC000571579809 323148494 /nfs/dbraw/zinc/14/84/94/323148494.db2.gz RDOYEAMMQMNIRB-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)[C@H]1CCCOC1 ZINC000571582038 323148608 /nfs/dbraw/zinc/14/86/08/323148608.db2.gz XNTTWTXOWMOUHF-NSHDSACASA-N 1 2 221.304 1.709 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@H](C)C2)c(C)c[nH+]1 ZINC000535059630 323164809 /nfs/dbraw/zinc/16/48/09/323164809.db2.gz KEFQNMBGJOHQGH-VIFPVBQESA-N 1 2 233.315 1.994 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)no1 ZINC000567059377 323174406 /nfs/dbraw/zinc/17/44/06/323174406.db2.gz WQETTXZQNOREFQ-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)no1 ZINC000567059377 323174407 /nfs/dbraw/zinc/17/44/07/323174407.db2.gz WQETTXZQNOREFQ-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2ccoc2)C1 ZINC000563719453 323175446 /nfs/dbraw/zinc/17/54/46/323175446.db2.gz SBSWQMZYPYBFLJ-UHFFFAOYSA-N 1 2 222.288 1.238 20 0 BDADLO CCCc1noc(C[N@H+](C)[C@@H]2CCCOC2)n1 ZINC000563736283 323176571 /nfs/dbraw/zinc/17/65/71/323176571.db2.gz CSKYFKBUUJYMRS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO CCCc1noc(C[N@@H+](C)[C@@H]2CCCOC2)n1 ZINC000563736283 323176572 /nfs/dbraw/zinc/17/65/72/323176572.db2.gz CSKYFKBUUJYMRS-SNVBAGLBSA-N 1 2 239.319 1.633 20 0 BDADLO O=C(NCC1CC=CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000529709884 323186115 /nfs/dbraw/zinc/18/61/15/323186115.db2.gz RWWCDMPYTXELJH-LBPRGKRZSA-N 1 2 245.326 1.528 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)C1(CO)CCC1 ZINC000518954571 323189432 /nfs/dbraw/zinc/18/94/32/323189432.db2.gz KONNSEHUGXMUKC-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)C1(CO)CCC1 ZINC000518954571 323189433 /nfs/dbraw/zinc/18/94/33/323189433.db2.gz KONNSEHUGXMUKC-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCOC(C)(C)C)C1CC1 ZINC000535763990 323190722 /nfs/dbraw/zinc/19/07/22/323190722.db2.gz GCHRMTIKFPNHQB-CYBMUJFWSA-N 1 2 243.347 1.733 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000052636573 323194242 /nfs/dbraw/zinc/19/42/42/323194242.db2.gz ZRCIAXKUQCYEAN-JTQLQIEISA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000052636573 323194243 /nfs/dbraw/zinc/19/42/43/323194243.db2.gz ZRCIAXKUQCYEAN-JTQLQIEISA-N 1 2 240.253 1.415 20 0 BDADLO Cc1cc(NC(=O)NCC2CC2)c(C)c[nH+]1 ZINC000536619764 323198797 /nfs/dbraw/zinc/19/87/97/323198797.db2.gz ITAPWOYQGIUCTA-UHFFFAOYSA-N 1 2 219.288 1.652 20 0 BDADLO CC[C@@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000563897610 323205625 /nfs/dbraw/zinc/20/56/25/323205625.db2.gz WPXZKHOZRJTXLS-WDEREUQCSA-N 1 2 235.331 1.752 20 0 BDADLO CCC[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000041979416 323215984 /nfs/dbraw/zinc/21/59/84/323215984.db2.gz RHAZVYDUNMGRGP-JTQLQIEISA-N 1 2 209.293 1.436 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(C)ncn1 ZINC000395462596 323227453 /nfs/dbraw/zinc/22/74/53/323227453.db2.gz SUQQABDFGXSDIV-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO CCn1ccnc1CNc1cc(C)[nH+]cn1 ZINC000395462596 323227455 /nfs/dbraw/zinc/22/74/55/323227455.db2.gz SUQQABDFGXSDIV-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO C[C@H]1C[C@H](C(=O)Nc2cccc3[nH+]ccn32)CO1 ZINC000526133130 323241570 /nfs/dbraw/zinc/24/15/70/323241570.db2.gz XRDXZBQQSZQWRL-UWVGGRQHSA-N 1 2 245.282 1.698 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCCc3cn[nH]c32)cn1 ZINC000532473400 323267620 /nfs/dbraw/zinc/26/76/20/323267620.db2.gz YXTPCGFKYLYGEO-LBPRGKRZSA-N 1 2 243.314 1.675 20 0 BDADLO Cc1ncc(C[NH2+][C@H]2CCCc3c[nH]nc32)cn1 ZINC000532473400 323267621 /nfs/dbraw/zinc/26/76/21/323267621.db2.gz YXTPCGFKYLYGEO-LBPRGKRZSA-N 1 2 243.314 1.675 20 0 BDADLO CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000043470591 323275620 /nfs/dbraw/zinc/27/56/20/323275620.db2.gz BULBFZYLVCXPMU-UHFFFAOYSA-N 1 2 246.314 1.664 20 0 BDADLO c1[nH]cc(NCc2ccc3c[nH]nc3c2)[nH+]1 ZINC000309340314 323344028 /nfs/dbraw/zinc/34/40/28/323344028.db2.gz KCGFWWMYEWWRRM-UHFFFAOYSA-N 1 2 213.244 1.898 20 0 BDADLO COC[C@@H](Nc1cc(C)[nH+]cn1)[C@H]1CCCO1 ZINC000572098329 323537258 /nfs/dbraw/zinc/53/72/58/323537258.db2.gz YWHMXBNJRITJPC-GHMZBOCLSA-N 1 2 237.303 1.391 20 0 BDADLO CCC1(O)CCN(c2[nH+]cccc2OC)CC1 ZINC000527910981 323720307 /nfs/dbraw/zinc/72/03/07/323720307.db2.gz WIPCLVPBHGTIMK-UHFFFAOYSA-N 1 2 236.315 1.832 20 0 BDADLO C=C/C(C)=C/CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146081 487960499 /nfs/dbraw/zinc/96/04/99/487960499.db2.gz BDRQPQMONFIPIA-QNCMIEPLSA-N 1 2 245.326 1.837 20 0 BDADLO Cc1ccc(CC(=O)N(C)Cc2[nH+]ccn2C)o1 ZINC000533147429 323856916 /nfs/dbraw/zinc/85/69/16/323856916.db2.gz SYPIYXIURXJHRU-UHFFFAOYSA-N 1 2 247.298 1.523 20 0 BDADLO C[C@H](NC(=O)N1[C@H](C)C[C@H]1C)c1[nH+]ccn1C ZINC000667249870 487961721 /nfs/dbraw/zinc/96/17/21/487961721.db2.gz BCZMECKBXYMWQT-BBBLOLIVSA-N 1 2 236.319 1.673 20 0 BDADLO Cc1ncc(CNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC000572487312 324127614 /nfs/dbraw/zinc/12/76/14/324127614.db2.gz AUHFZRKBTHIDGQ-VIFPVBQESA-N 1 2 248.286 1.447 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC12CC(C1)CO2 ZINC000529038961 324236456 /nfs/dbraw/zinc/23/64/56/324236456.db2.gz GTASJGXASWBTCK-UHFFFAOYSA-N 1 2 247.298 1.112 20 0 BDADLO C[C@@H](NC(=O)[C@H]1[C@@H](C)[C@@H]1C1CC1)c1[nH]cc[nH+]1 ZINC000529412924 324290043 /nfs/dbraw/zinc/29/00/43/324290043.db2.gz JYZKHUVYUMOEKW-URPMGSGRSA-N 1 2 233.315 1.879 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccnn1 ZINC000529461077 324305602 /nfs/dbraw/zinc/30/56/02/324305602.db2.gz YPLHRWNOJXIXKS-SECBINFHSA-N 1 2 245.286 1.184 20 0 BDADLO CC1(CO)C[NH+](Cc2ccncc2Cl)C1 ZINC000529609290 324363390 /nfs/dbraw/zinc/36/33/90/324363390.db2.gz RYKZNQOIGULVLW-UHFFFAOYSA-N 1 2 226.707 1.549 20 0 BDADLO CCC(C)(C)OC1CN(Cc2c[nH+]cn2C)C1 ZINC000529640757 324369899 /nfs/dbraw/zinc/36/98/99/324369899.db2.gz JOVXJMRKRFRRGA-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccc(F)cc1O ZINC000123411134 324380593 /nfs/dbraw/zinc/38/05/93/324380593.db2.gz GESNXRAOKFSEGN-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC=CCC1 ZINC000529871104 324422119 /nfs/dbraw/zinc/42/21/19/324422119.db2.gz XDIOVEGWFILITO-GFCCVEGCSA-N 1 2 247.342 1.825 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1C2CCC1CC2 ZINC000682450692 487966182 /nfs/dbraw/zinc/96/61/82/487966182.db2.gz UNNJACABWTWYEX-UNXYVOJBSA-N 1 2 245.326 1.599 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CC1CCCC1 ZINC000541551140 324964004 /nfs/dbraw/zinc/96/40/04/324964004.db2.gz FZBWULCCAQGJIM-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO CC(C)C1CN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000677091433 487966376 /nfs/dbraw/zinc/96/63/76/487966376.db2.gz LRDHZXVYTSQPPB-UHFFFAOYSA-N 1 2 236.319 1.218 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)CC[S@@](C)=O ZINC000230102503 325003716 /nfs/dbraw/zinc/00/37/16/325003716.db2.gz MXIDIMROGHJSRB-XXFAHNHDSA-N 1 2 242.344 1.659 20 0 BDADLO O=C(c1ccc(F)cn1)N1CC(n2cc[nH+]c2)C1 ZINC000542353699 325022566 /nfs/dbraw/zinc/02/25/66/325022566.db2.gz HVPJOFGFBYWOMB-UHFFFAOYSA-N 1 2 246.245 1.114 20 0 BDADLO CCN(C)C(=O)CC[N@H+](CC(F)F)C(C)C ZINC000130726622 325082302 /nfs/dbraw/zinc/08/23/02/325082302.db2.gz HGLZWGQSJCANNC-UHFFFAOYSA-N 1 2 236.306 1.830 20 0 BDADLO CCN(C)C(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000130726622 325082304 /nfs/dbraw/zinc/08/23/04/325082304.db2.gz HGLZWGQSJCANNC-UHFFFAOYSA-N 1 2 236.306 1.830 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccon1 ZINC000543840531 325117119 /nfs/dbraw/zinc/11/71/19/325117119.db2.gz VHYKKDCSKHCDEE-ZDUSSCGKSA-N 1 2 232.283 1.806 20 0 BDADLO Cc1cc(NCc2[nH]cc[nH+]2)nn1[C@@H](C)C1CC1 ZINC000544176093 325133374 /nfs/dbraw/zinc/13/33/74/325133374.db2.gz HOKZEAXFBCFOGW-JTQLQIEISA-N 1 2 245.330 1.920 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(C)on1 ZINC000131406494 325146317 /nfs/dbraw/zinc/14/63/17/325146317.db2.gz QWWDWTWGIYBSBL-UHFFFAOYSA-N 1 2 233.227 1.639 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnns1 ZINC000131475019 325155026 /nfs/dbraw/zinc/15/50/26/325155026.db2.gz IWYAHYVQMVZUIS-UHFFFAOYSA-N 1 2 236.256 1.194 20 0 BDADLO C[C@H]1C[C@@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000545060979 325174735 /nfs/dbraw/zinc/17/47/35/325174735.db2.gz IPNXJXRZGPFPRU-IUCAKERBSA-N 1 2 218.260 1.632 20 0 BDADLO C[C@H]1C[C@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000545060978 325174770 /nfs/dbraw/zinc/17/47/70/325174770.db2.gz IPNXJXRZGPFPRU-DTWKUNHWSA-N 1 2 218.260 1.632 20 0 BDADLO C[C@@]1(CO)CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000545398392 325219308 /nfs/dbraw/zinc/21/93/08/325219308.db2.gz MIFLTJHACZECLW-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@@]1(CO)CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000545398392 325219310 /nfs/dbraw/zinc/21/93/10/325219310.db2.gz MIFLTJHACZECLW-LBPRGKRZSA-N 1 2 237.303 1.294 20 0 BDADLO CCN(CC)C(=O)C[NH+]1CC(C(F)(F)F)C1 ZINC000564293639 325233432 /nfs/dbraw/zinc/23/34/32/325233432.db2.gz BPJFAWZGYIGVIS-UHFFFAOYSA-N 1 2 238.253 1.349 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC(=O)OC(C)C)C(C)C ZINC000545884540 325241442 /nfs/dbraw/zinc/24/14/42/325241442.db2.gz QEQPCQIGACRZRF-LLVKDONJSA-N 1 2 245.319 1.115 20 0 BDADLO CCC[N@H+](CCC(=O)NC)CC(F)F ZINC000133308222 325285211 /nfs/dbraw/zinc/28/52/11/325285211.db2.gz BVUXCQIGFUTOKX-UHFFFAOYSA-N 1 2 208.252 1.100 20 0 BDADLO CCC[N@@H+](CCC(=O)NC)CC(F)F ZINC000133308222 325285212 /nfs/dbraw/zinc/28/52/12/325285212.db2.gz BVUXCQIGFUTOKX-UHFFFAOYSA-N 1 2 208.252 1.100 20 0 BDADLO Cc1nnc(C[N@@H+]2CCS[C@@H](C(C)C)C2)o1 ZINC000076064192 325328182 /nfs/dbraw/zinc/32/81/82/325328182.db2.gz DKXXVMBYCOVSFN-SNVBAGLBSA-N 1 2 241.360 1.951 20 0 BDADLO Cc1nnc(C[N@H+]2CCS[C@@H](C(C)C)C2)o1 ZINC000076064192 325328185 /nfs/dbraw/zinc/32/81/85/325328185.db2.gz DKXXVMBYCOVSFN-SNVBAGLBSA-N 1 2 241.360 1.951 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000134872964 325380434 /nfs/dbraw/zinc/38/04/34/325380434.db2.gz SBHUAIVJFJETMG-SECBINFHSA-N 1 2 226.345 1.833 20 0 BDADLO CC(C)c1cnc(C[N@H+]2CC[C@@H](O)C2)s1 ZINC000134872964 325380437 /nfs/dbraw/zinc/38/04/37/325380437.db2.gz SBHUAIVJFJETMG-SECBINFHSA-N 1 2 226.345 1.833 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2nccc(N)n2)[C@@H]1C ZINC000135087818 325392393 /nfs/dbraw/zinc/39/23/93/325392393.db2.gz SLLYFTNWHWTNEI-RKDXNWHRSA-N 1 2 238.360 1.385 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2nccc(N)n2)[C@@H]1C ZINC000135087818 325392394 /nfs/dbraw/zinc/39/23/94/325392394.db2.gz SLLYFTNWHWTNEI-RKDXNWHRSA-N 1 2 238.360 1.385 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)CCc1ccco1 ZINC000547805145 325400906 /nfs/dbraw/zinc/40/09/06/325400906.db2.gz IWSVDESFSPZDJX-UHFFFAOYSA-N 1 2 247.298 1.305 20 0 BDADLO CC(C)CCNC(=O)Cc1c[nH+]cn1C ZINC000547864386 325409715 /nfs/dbraw/zinc/40/97/15/325409715.db2.gz KQCVUBWRIOBSJQ-UHFFFAOYSA-N 1 2 209.293 1.125 20 0 BDADLO CCCCN(CC)C(=O)Cc1c[nH+]cn1C ZINC000547864397 325409845 /nfs/dbraw/zinc/40/98/45/325409845.db2.gz LVOBANKJIYLHED-UHFFFAOYSA-N 1 2 223.320 1.611 20 0 BDADLO C[C@H](C1CC1)N(C(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548255331 325442384 /nfs/dbraw/zinc/44/23/84/325442384.db2.gz KOFYQFMALNZOMR-SNVBAGLBSA-N 1 2 247.342 1.752 20 0 BDADLO CC(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000548710538 325474718 /nfs/dbraw/zinc/47/47/18/325474718.db2.gz KJQGMKBYOUAUST-GFCCVEGCSA-N 1 2 249.358 1.857 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cccc2[nH]ccc21 ZINC000080606271 325482383 /nfs/dbraw/zinc/48/23/83/325482383.db2.gz VWTJWCWVGKIAQT-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO CCc1ccc(O)c(NC(=O)Cn2cc[nH+]c2)c1 ZINC000550748608 325538995 /nfs/dbraw/zinc/53/89/95/325538995.db2.gz NEYPQBSXMJGHGM-UHFFFAOYSA-N 1 2 245.282 1.790 20 0 BDADLO c1cn2ccc(CNc3cccnn3)cc2[nH+]1 ZINC000553482355 325693279 /nfs/dbraw/zinc/69/32/79/325693279.db2.gz ASCJFWPCIMXUFU-UHFFFAOYSA-N 1 2 225.255 1.158 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000554491754 325721709 /nfs/dbraw/zinc/72/17/09/325721709.db2.gz MTDPUZNPUMTVHP-CYBMUJFWSA-N 1 2 247.342 1.754 20 0 BDADLO COc1ncc(C)cc1NC(=O)Cn1cc[nH+]c1 ZINC000555228153 325750652 /nfs/dbraw/zinc/75/06/52/325750652.db2.gz QLIPOIGOALVWKC-UHFFFAOYSA-N 1 2 246.270 1.234 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682498245 487970683 /nfs/dbraw/zinc/97/06/83/487970683.db2.gz CXRNHQXIZHWCDF-MNOVXSKESA-N 1 2 247.342 1.608 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@H](F)C1)n1cc[nH+]c1 ZINC000565311277 325892013 /nfs/dbraw/zinc/89/20/13/325892013.db2.gz DOAOOYKJJPQGRU-MNOVXSKESA-N 1 2 239.294 1.795 20 0 BDADLO Nc1nc(N2CCC[C@H](F)C2)[nH+]c2ccccc12 ZINC000565631848 325935708 /nfs/dbraw/zinc/93/57/08/325935708.db2.gz QKZUIFXTSJUBGC-VIFPVBQESA-N 1 2 246.289 1.981 20 0 BDADLO C=Cn1cc(CNc2[nH+]cccc2OC)cn1 ZINC000566048688 325987456 /nfs/dbraw/zinc/98/74/56/325987456.db2.gz YUUQCYMXNJOFIW-UHFFFAOYSA-N 1 2 230.271 1.999 20 0 BDADLO [NH3+][C@@H](C(=O)NCCCC1CC1)c1cscn1 ZINC000566098093 325994571 /nfs/dbraw/zinc/99/45/71/325994571.db2.gz SWWQTTXAQIWWCK-SNVBAGLBSA-N 1 2 239.344 1.449 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000566447170 326049362 /nfs/dbraw/zinc/04/93/62/326049362.db2.gz RQGVXDPMMGZXBB-PWSUYJOCSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000566447170 326049364 /nfs/dbraw/zinc/04/93/64/326049364.db2.gz RQGVXDPMMGZXBB-PWSUYJOCSA-N 1 2 247.342 1.847 20 0 BDADLO CCOC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000566449372 326049461 /nfs/dbraw/zinc/04/94/61/326049461.db2.gz UEIRVIRTQKKEBX-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2nc(C)[nH+]cc2C)n[nH]1 ZINC000566484535 326056779 /nfs/dbraw/zinc/05/67/79/326056779.db2.gz PFEYOIWHPIBUMM-SECBINFHSA-N 1 2 245.330 1.590 20 0 BDADLO Cc1cc(C[C@@H](C)Nc2nc(C)[nH+]cc2C)[nH]n1 ZINC000566484535 326056781 /nfs/dbraw/zinc/05/67/81/326056781.db2.gz PFEYOIWHPIBUMM-SECBINFHSA-N 1 2 245.330 1.590 20 0 BDADLO COC(C)(C)CN(C)c1nc(C)[nH+]cc1C ZINC000566485908 326057026 /nfs/dbraw/zinc/05/70/26/326057026.db2.gz WYWLZAPUBXWDTP-UHFFFAOYSA-N 1 2 223.320 1.955 20 0 BDADLO COCCC1(CNc2nc(C)[nH+]cc2C)CC1 ZINC000566485334 326057093 /nfs/dbraw/zinc/05/70/93/326057093.db2.gz GJWVHJBQWMEHDM-UHFFFAOYSA-N 1 2 235.331 1.744 20 0 BDADLO C[C@@H](O)C[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000566524500 326061932 /nfs/dbraw/zinc/06/19/32/326061932.db2.gz ZLFLDXPPZFKKCE-RKDXNWHRSA-N 1 2 246.314 1.036 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000566541524 326062830 /nfs/dbraw/zinc/06/28/30/326062830.db2.gz FYOZYQLESHKIRE-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000566541524 326062832 /nfs/dbraw/zinc/06/28/32/326062832.db2.gz FYOZYQLESHKIRE-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO C[C@@H]1c2ccccc2CN1C(=O)Cn1cc[nH+]c1 ZINC000566641568 326071428 /nfs/dbraw/zinc/07/14/28/326071428.db2.gz OSSXTYDABNKROE-LLVKDONJSA-N 1 2 241.294 1.987 20 0 BDADLO CC[C@@H]1CC[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000566899364 326091888 /nfs/dbraw/zinc/09/18/88/326091888.db2.gz FZHHHVZYWHHJSO-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000567350226 326171045 /nfs/dbraw/zinc/17/10/45/326171045.db2.gz ZNXNJAAWHXOXIS-CYBMUJFWSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000567350226 326171047 /nfs/dbraw/zinc/17/10/47/326171047.db2.gz ZNXNJAAWHXOXIS-CYBMUJFWSA-N 1 2 247.342 1.786 20 0 BDADLO CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000156218815 326223014 /nfs/dbraw/zinc/22/30/14/326223014.db2.gz JNEVAQUJNXCCOP-UHFFFAOYSA-N 1 2 245.326 1.530 20 0 BDADLO C[C@@H]1OCC[N@H+](CC(=O)N2CCCCC2)[C@H]1C ZINC000156401538 326231310 /nfs/dbraw/zinc/23/13/10/326231310.db2.gz QXAWKDUAJYKIGV-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@@H]1OCC[N@@H+](CC(=O)N2CCCCC2)[C@H]1C ZINC000156401538 326231313 /nfs/dbraw/zinc/23/13/13/326231313.db2.gz QXAWKDUAJYKIGV-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO COCCOCC[NH+]1CC(C(F)(F)F)C1 ZINC000567683920 326244756 /nfs/dbraw/zinc/24/47/56/326244756.db2.gz DSKDLIFVWDVRJP-UHFFFAOYSA-N 1 2 227.226 1.144 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000567695444 326246935 /nfs/dbraw/zinc/24/69/35/326246935.db2.gz RVHFLOFWWPVJNH-AAEUAGOBSA-N 1 2 247.342 1.515 20 0 BDADLO CS[C@@H]1CC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000567722363 326247654 /nfs/dbraw/zinc/24/76/54/326247654.db2.gz BGKGPERKYPZRIO-RKDXNWHRSA-N 1 2 239.344 1.931 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCOC1)C1CC1 ZINC000568121107 326310456 /nfs/dbraw/zinc/31/04/56/326310456.db2.gz SAUFHAZEWSAFOF-WDEREUQCSA-N 1 2 249.314 1.024 20 0 BDADLO Cc1ncccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568200910 326325213 /nfs/dbraw/zinc/32/52/13/326325213.db2.gz CNKNZTPVGYNJAV-SECBINFHSA-N 1 2 244.298 1.930 20 0 BDADLO Cc1ncccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568200910 326325215 /nfs/dbraw/zinc/32/52/15/326325215.db2.gz CNKNZTPVGYNJAV-SECBINFHSA-N 1 2 244.298 1.930 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000568247741 326333811 /nfs/dbraw/zinc/33/38/11/326333811.db2.gz VRNYRNJSPUUWAX-HRDYMLBCSA-N 1 2 234.303 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000568247741 326333812 /nfs/dbraw/zinc/33/38/12/326333812.db2.gz VRNYRNJSPUUWAX-HRDYMLBCSA-N 1 2 234.303 1.668 20 0 BDADLO Cc1[nH]c(CN[C@H]2CCCc3c[nH]nc32)[nH+]c1C ZINC000568273439 326339043 /nfs/dbraw/zinc/33/90/43/326339043.db2.gz ROJDIQXVUNELNN-NSHDSACASA-N 1 2 245.330 1.917 20 0 BDADLO C[C@H]1CCC[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000158966251 326347036 /nfs/dbraw/zinc/34/70/36/326347036.db2.gz XCMJDHVYEMDDSQ-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cc(NC(=O)[C@H]2[C@@H](C)C2(F)F)c(C)c[nH+]1 ZINC000568497265 326359800 /nfs/dbraw/zinc/35/98/00/326359800.db2.gz NKLQFHZOWNBPPN-PSASIEDQSA-N 1 2 240.253 1.960 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000568662393 326371688 /nfs/dbraw/zinc/37/16/88/326371688.db2.gz AKZDZXREEKBYRL-IVZWLZJFSA-N 1 2 237.303 1.260 20 0 BDADLO CC[C@H](C)[C@@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000568782240 326377392 /nfs/dbraw/zinc/37/73/92/326377392.db2.gz KFSKRLCOTOGXLV-GWCFXTLKSA-N 1 2 237.347 1.724 20 0 BDADLO Cn1nccc1[C@@H]1OCC[C@H]1CNc1c[nH]c[nH+]1 ZINC000569057637 326387941 /nfs/dbraw/zinc/38/79/41/326387941.db2.gz DZTWYJSELAJONX-JOYOIKCWSA-N 1 2 247.302 1.333 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H](F)C1 ZINC000569125034 326392080 /nfs/dbraw/zinc/39/20/80/326392080.db2.gz RWENCLUVJADHSA-UWVGGRQHSA-N 1 2 239.294 1.360 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCC1CC(O)C1 ZINC000569188302 326394025 /nfs/dbraw/zinc/39/40/25/326394025.db2.gz ATYQQTUMNYQMAU-UHFFFAOYSA-N 1 2 249.314 1.094 20 0 BDADLO CSc1ccnc(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000569225570 326395944 /nfs/dbraw/zinc/39/59/44/326395944.db2.gz FVAOVNSAPAZQSV-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682504597 487972214 /nfs/dbraw/zinc/97/22/14/487972214.db2.gz LAZSWINFUISOKF-IJLUTSLNSA-N 1 2 247.342 1.702 20 0 BDADLO Cc1cc(N2Cc3cccnc3C2)nc[nH+]1 ZINC000572633054 326402037 /nfs/dbraw/zinc/40/20/37/326402037.db2.gz SDPUEVNGZUJHSV-UHFFFAOYSA-N 1 2 212.256 1.700 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000572821399 326412733 /nfs/dbraw/zinc/41/27/33/326412733.db2.gz HUXBBABEJZRCMP-ZJUUUORDSA-N 1 2 239.319 1.792 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)C1 ZINC000572863391 326415800 /nfs/dbraw/zinc/41/58/00/326415800.db2.gz FCITWBRDRYMHHJ-NWDGAFQWSA-N 1 2 249.358 1.857 20 0 BDADLO CC[C@H](NC(=O)CSC1CC1)c1[nH]cc[nH+]1 ZINC000572949712 326420324 /nfs/dbraw/zinc/42/03/24/326420324.db2.gz QEOGPIIWKZHTHP-VIFPVBQESA-N 1 2 239.344 1.873 20 0 BDADLO C[C@H](CC(=O)N1CCCCO1)n1cc[nH+]c1 ZINC000573123757 326431128 /nfs/dbraw/zinc/43/11/28/326431128.db2.gz NEGCSAOFHCPVIH-SNVBAGLBSA-N 1 2 223.276 1.388 20 0 BDADLO Cc1ccc2[nH+]cc(CNc3cn(C)nn3)n2c1 ZINC000573148172 326432235 /nfs/dbraw/zinc/43/22/35/326432235.db2.gz WWFYYYYKGMFULL-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CCc1cc(N[C@H]2CCN(CC)C2=O)nc[nH+]1 ZINC000669972853 487973770 /nfs/dbraw/zinc/97/37/70/487973770.db2.gz MGAZIYNYWHBJPD-JTQLQIEISA-N 1 2 234.303 1.072 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000682531461 487978436 /nfs/dbraw/zinc/97/84/36/487978436.db2.gz IUWPHRZOTJOSJA-RQJHMYQMSA-N 1 2 249.240 1.155 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000682531461 487978439 /nfs/dbraw/zinc/97/84/39/487978439.db2.gz IUWPHRZOTJOSJA-RQJHMYQMSA-N 1 2 249.240 1.155 20 0 BDADLO Cc1ccc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000677135739 487981845 /nfs/dbraw/zinc/98/18/45/487981845.db2.gz OKWBULPIVSUMQI-SNVBAGLBSA-N 1 2 247.298 1.532 20 0 BDADLO CCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545192 487983992 /nfs/dbraw/zinc/98/39/92/487983992.db2.gz AZVCXAAFRIKCQY-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545192 487983997 /nfs/dbraw/zinc/98/39/97/487983997.db2.gz AZVCXAAFRIKCQY-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO COCCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545890 487984708 /nfs/dbraw/zinc/98/47/08/487984708.db2.gz IDYVUOAHFSARCA-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO COCCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545890 487984713 /nfs/dbraw/zinc/98/47/13/487984713.db2.gz IDYVUOAHFSARCA-JTQLQIEISA-N 1 2 237.290 1.505 20 0 BDADLO CC[C@H](C)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547350 487984942 /nfs/dbraw/zinc/98/49/42/487984942.db2.gz RELJXRHCJBZFBJ-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO CC[C@H](C)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682547350 487984948 /nfs/dbraw/zinc/98/49/48/487984948.db2.gz RELJXRHCJBZFBJ-IUCAKERBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]([N@H+](C)Cc1csnn1)C(C)(C)O ZINC000382971951 487986503 /nfs/dbraw/zinc/98/65/03/487986503.db2.gz QYPFGZWLJAEZBJ-SSDOTTSWSA-N 1 2 215.322 1.129 20 0 BDADLO C[C@@H]([N@@H+](C)Cc1csnn1)C(C)(C)O ZINC000382971951 487986509 /nfs/dbraw/zinc/98/65/09/487986509.db2.gz QYPFGZWLJAEZBJ-SSDOTTSWSA-N 1 2 215.322 1.129 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1CCc2ccccc21 ZINC000682072356 487986593 /nfs/dbraw/zinc/98/65/93/487986593.db2.gz MCTLCRXBBJVFGR-GFCCVEGCSA-N 1 2 228.299 1.924 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1CCc2ccccc21 ZINC000682072356 487986601 /nfs/dbraw/zinc/98/66/01/487986601.db2.gz MCTLCRXBBJVFGR-GFCCVEGCSA-N 1 2 228.299 1.924 20 0 BDADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCCCC1 ZINC000220516552 487986255 /nfs/dbraw/zinc/98/62/55/487986255.db2.gz XTOILFWJQUABJF-JTQLQIEISA-N 1 2 233.315 1.527 20 0 BDADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCCCC1 ZINC000220516552 487986263 /nfs/dbraw/zinc/98/62/63/487986263.db2.gz XTOILFWJQUABJF-JTQLQIEISA-N 1 2 233.315 1.527 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](F)C2)c(C)c[nH+]1 ZINC000652797834 487987915 /nfs/dbraw/zinc/98/79/15/487987915.db2.gz UVIHJPGPTGPPSL-SNVBAGLBSA-N 1 2 237.278 1.696 20 0 BDADLO CC(C)[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665705959 487996218 /nfs/dbraw/zinc/99/62/18/487996218.db2.gz XYWIPJISJHKXQZ-JTQLQIEISA-N 1 2 248.330 1.763 20 0 BDADLO CC(C)[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665705959 487996224 /nfs/dbraw/zinc/99/62/24/487996224.db2.gz XYWIPJISJHKXQZ-JTQLQIEISA-N 1 2 248.330 1.763 20 0 BDADLO CCN1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000677195111 487997848 /nfs/dbraw/zinc/99/78/48/487997848.db2.gz LXYDEIPCMQYBDN-JTQLQIEISA-N 1 2 239.388 1.978 20 0 BDADLO CCN1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000677195111 487997850 /nfs/dbraw/zinc/99/78/50/487997850.db2.gz LXYDEIPCMQYBDN-JTQLQIEISA-N 1 2 239.388 1.978 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)Cc1ccco1 ZINC000134825492 488000385 /nfs/dbraw/zinc/00/03/85/488000385.db2.gz IMNPIGGEKGCKDO-UHFFFAOYSA-N 1 2 234.259 1.297 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)Cc1ccco1 ZINC000134825492 488000392 /nfs/dbraw/zinc/00/03/92/488000392.db2.gz IMNPIGGEKGCKDO-UHFFFAOYSA-N 1 2 234.259 1.297 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H](C)C2CCC2)[nH+]1 ZINC000677308291 488012087 /nfs/dbraw/zinc/01/20/87/488012087.db2.gz ALOWNTFYUVKSFP-QMMMGPOBSA-N 1 2 235.335 1.847 20 0 BDADLO Cc1nc(N[C@@H](C)C2CCC2)nc(N(C)C)[nH+]1 ZINC000677308291 488012094 /nfs/dbraw/zinc/01/20/94/488012094.db2.gz ALOWNTFYUVKSFP-QMMMGPOBSA-N 1 2 235.335 1.847 20 0 BDADLO CN1CC[N@H+](Cc2ccc(Cl)o2)CCC1=O ZINC000668622782 488023158 /nfs/dbraw/zinc/02/31/58/488023158.db2.gz ZPRRDSYLZABTFM-UHFFFAOYSA-N 1 2 242.706 1.597 20 0 BDADLO CN1CC[N@@H+](Cc2ccc(Cl)o2)CCC1=O ZINC000668622782 488023160 /nfs/dbraw/zinc/02/31/60/488023160.db2.gz ZPRRDSYLZABTFM-UHFFFAOYSA-N 1 2 242.706 1.597 20 0 BDADLO CCc1cc(N[C@@H](C)c2ncnn2C)nc[nH+]1 ZINC000682720595 488025137 /nfs/dbraw/zinc/02/51/37/488025137.db2.gz RICNGJAWUNYUSB-QMMMGPOBSA-N 1 2 232.291 1.341 20 0 BDADLO C[C@@H](NC(=O)c1ccc(O)cc1F)c1[nH]cc[nH+]1 ZINC000229976182 488030051 /nfs/dbraw/zinc/03/00/51/488030051.db2.gz KHMBMKWXCVTQPD-SSDOTTSWSA-N 1 2 249.245 1.745 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C1CCCC1 ZINC000668635882 488034801 /nfs/dbraw/zinc/03/48/01/488034801.db2.gz QDXZXUPUWMOGNB-CYBMUJFWSA-N 1 2 248.326 1.956 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000667530547 488039210 /nfs/dbraw/zinc/03/92/10/488039210.db2.gz BBAMKZXUMKBFRY-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO Cn1ncc(C2CC2)c1C[N@H+]1CCOC(C)(C)C1 ZINC000667530547 488039215 /nfs/dbraw/zinc/03/92/15/488039215.db2.gz BBAMKZXUMKBFRY-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC(C)(C)O1 ZINC000667554327 488045413 /nfs/dbraw/zinc/04/54/13/488045413.db2.gz QTJIPMSKIBKJRO-LLVKDONJSA-N 1 2 249.358 1.829 20 0 BDADLO CCc1ccc(C[NH+]2CC(C)(O)C2)s1 ZINC000084357051 488046489 /nfs/dbraw/zinc/04/64/89/488046489.db2.gz ZASIKJQJAGBYNH-UHFFFAOYSA-N 1 2 211.330 1.877 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1cnns1 ZINC000682824794 488046922 /nfs/dbraw/zinc/04/69/22/488046922.db2.gz BPQZXJFNKGZQMU-UHFFFAOYSA-N 1 2 237.288 1.154 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000526031187 488049321 /nfs/dbraw/zinc/04/93/21/488049321.db2.gz YLONLRTTXPFUGQ-PEGIJTEDSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000526031187 488049330 /nfs/dbraw/zinc/04/93/30/488049330.db2.gz YLONLRTTXPFUGQ-PEGIJTEDSA-N 1 2 219.288 1.257 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668646136 488049703 /nfs/dbraw/zinc/04/97/03/488049703.db2.gz DFXSHAVVHJURSA-ZJUUUORDSA-N 1 2 247.342 1.677 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668646136 488049709 /nfs/dbraw/zinc/04/97/09/488049709.db2.gz DFXSHAVVHJURSA-ZJUUUORDSA-N 1 2 247.342 1.677 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)s1 ZINC000661850470 488062544 /nfs/dbraw/zinc/06/25/44/488062544.db2.gz JACNREQNYOMIOB-BDAKNGLRSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)s1 ZINC000661850470 488062548 /nfs/dbraw/zinc/06/25/48/488062548.db2.gz JACNREQNYOMIOB-BDAKNGLRSA-N 1 2 241.360 1.846 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnn2CC2CC2)[C@@H]1C ZINC000667639944 488066614 /nfs/dbraw/zinc/06/66/14/488066614.db2.gz GXZFKJMXTLOBQG-VXGBXAGGSA-N 1 2 249.358 1.902 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnn2CC2CC2)[C@@H]1C ZINC000667639944 488066619 /nfs/dbraw/zinc/06/66/19/488066619.db2.gz GXZFKJMXTLOBQG-VXGBXAGGSA-N 1 2 249.358 1.902 20 0 BDADLO CCNc1nccnc1N(C)Cc1[nH]cc[nH+]1 ZINC000663617438 488070218 /nfs/dbraw/zinc/07/02/18/488070218.db2.gz KWNYZLGFCIPPNY-UHFFFAOYSA-N 1 2 232.291 1.268 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)c1cnco1 ZINC000677580400 488078651 /nfs/dbraw/zinc/07/86/51/488078651.db2.gz NBHUPDPGBRPGNC-UHFFFAOYSA-N 1 2 234.259 1.033 20 0 BDADLO O=C(CCCF)N1CCC(n2cc[nH+]c2)CC1 ZINC000667666468 488081156 /nfs/dbraw/zinc/08/11/56/488081156.db2.gz MVWGNJPMUMIELE-UHFFFAOYSA-N 1 2 239.294 1.796 20 0 BDADLO CC(C)(C)c1nc(NCC(=O)NC2CC2)cc[nH+]1 ZINC000674062608 488091987 /nfs/dbraw/zinc/09/19/87/488091987.db2.gz WHMRLCMMFZNTAM-UHFFFAOYSA-N 1 2 248.330 1.465 20 0 BDADLO CCCc1nc(C[NH2+][C@@]2(CC)CCOC2)no1 ZINC000683041415 488103327 /nfs/dbraw/zinc/10/33/27/488103327.db2.gz KLFKSVQLMLBKCC-LBPRGKRZSA-N 1 2 239.319 1.681 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667763630 488111509 /nfs/dbraw/zinc/11/15/09/488111509.db2.gz DSWAQKDSXJIKQO-ZJUUUORDSA-N 1 2 235.331 1.772 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667763630 488111515 /nfs/dbraw/zinc/11/15/15/488111515.db2.gz DSWAQKDSXJIKQO-ZJUUUORDSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](C(F)F)C2)no1 ZINC000677735274 488113911 /nfs/dbraw/zinc/11/39/11/488113911.db2.gz YAVANDDEPCUKCQ-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](C(F)F)C2)no1 ZINC000677735274 488113915 /nfs/dbraw/zinc/11/39/15/488113915.db2.gz YAVANDDEPCUKCQ-ZETCQYMHSA-N 1 2 217.219 1.465 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000677735790 488114355 /nfs/dbraw/zinc/11/43/55/488114355.db2.gz GYPBAVZDBBRURR-ZETCQYMHSA-N 1 2 243.261 1.095 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000677735790 488114359 /nfs/dbraw/zinc/11/43/59/488114359.db2.gz GYPBAVZDBBRURR-ZETCQYMHSA-N 1 2 243.261 1.095 20 0 BDADLO c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)[nH]n1 ZINC000667773044 488116623 /nfs/dbraw/zinc/11/66/23/488116623.db2.gz ARRFAUILTKNJEW-GHMZBOCLSA-N 1 2 207.277 1.067 20 0 BDADLO O=C1CCCN1C[C@H]1CC[N@@H+](CC(F)F)C1 ZINC000662054330 488122977 /nfs/dbraw/zinc/12/29/77/488122977.db2.gz MPYDBEUVPIHXSY-VIFPVBQESA-N 1 2 232.274 1.196 20 0 BDADLO O=C1CCCN1C[C@H]1CC[N@H+](CC(F)F)C1 ZINC000662054330 488122981 /nfs/dbraw/zinc/12/29/81/488122981.db2.gz MPYDBEUVPIHXSY-VIFPVBQESA-N 1 2 232.274 1.196 20 0 BDADLO Cc1ccoc1C(=O)NCCn1cc[nH+]c1 ZINC000041979631 488128509 /nfs/dbraw/zinc/12/85/09/488128509.db2.gz QQIIXHLMMYCIQE-UHFFFAOYSA-N 1 2 219.244 1.215 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CCc2n[nH]nc2C1 ZINC000683223258 488132722 /nfs/dbraw/zinc/13/27/22/488132722.db2.gz RQRSRPMHVKENTQ-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CCc2n[nH]nc2C1 ZINC000683223258 488132725 /nfs/dbraw/zinc/13/27/25/488132725.db2.gz RQRSRPMHVKENTQ-SECBINFHSA-N 1 2 229.287 1.319 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C2CCC1CC2 ZINC000525979964 487538279 /nfs/dbraw/zinc/53/82/79/487538279.db2.gz LRKMIEWKAASTFO-UHFFFAOYSA-N 1 2 219.288 1.496 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C2CCC1CC2 ZINC000525979964 487538285 /nfs/dbraw/zinc/53/82/85/487538285.db2.gz LRKMIEWKAASTFO-UHFFFAOYSA-N 1 2 219.288 1.496 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(Cl)o1 ZINC000668790201 487541631 /nfs/dbraw/zinc/54/16/31/487541631.db2.gz JUVYRXYKZMMTEI-UHFFFAOYSA-N 1 2 216.668 1.111 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(Cl)o1 ZINC000668790201 487541634 /nfs/dbraw/zinc/54/16/34/487541634.db2.gz JUVYRXYKZMMTEI-UHFFFAOYSA-N 1 2 216.668 1.111 20 0 BDADLO Cc1nc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c[nH]1 ZINC000680256644 487553641 /nfs/dbraw/zinc/55/36/41/487553641.db2.gz CZRHOQOBUXMPFE-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2cncn2C)c1 ZINC000685466378 487531583 /nfs/dbraw/zinc/53/15/83/487531583.db2.gz UUWIZHJLRJPROQ-UHFFFAOYSA-N 1 2 245.286 1.133 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000680070871 487532485 /nfs/dbraw/zinc/53/24/85/487532485.db2.gz OMFIDXJELZXVIB-JGVFFNPUSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2C)s1 ZINC000680070871 487532488 /nfs/dbraw/zinc/53/24/88/487532488.db2.gz OMFIDXJELZXVIB-JGVFFNPUSA-N 1 2 227.333 1.056 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1scnc1C1CC1 ZINC000668787292 487532696 /nfs/dbraw/zinc/53/26/96/487532696.db2.gz ATZWBMDOODZCDP-UHFFFAOYSA-N 1 2 239.344 1.198 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1scnc1C1CC1 ZINC000668787292 487532699 /nfs/dbraw/zinc/53/26/99/487532699.db2.gz ATZWBMDOODZCDP-UHFFFAOYSA-N 1 2 239.344 1.198 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@]1(C)CCCO1)CC2 ZINC000679893236 487481496 /nfs/dbraw/zinc/48/14/96/487481496.db2.gz AYGRAXUDRDUECN-ZDUSSCGKSA-N 1 2 249.314 1.103 20 0 BDADLO CCc1nnc(CN2CCn3cc(C)[nH+]c3C2)o1 ZINC000679868338 487477635 /nfs/dbraw/zinc/47/76/35/487477635.db2.gz OEWBDKQVWPNUFS-UHFFFAOYSA-N 1 2 247.302 1.153 20 0 BDADLO CO[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000668759586 487493135 /nfs/dbraw/zinc/49/31/35/487493135.db2.gz ZKCYPZSEHKHUSN-GFCCVEGCSA-N 1 2 249.314 1.082 20 0 BDADLO CCOC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000668759388 487493175 /nfs/dbraw/zinc/49/31/75/487493175.db2.gz WSNXNEAZHUUGDU-UHFFFAOYSA-N 1 2 249.314 1.226 20 0 BDADLO FCCn1ncnc1C[N@H+]1CC=CCC1 ZINC000685037275 487493524 /nfs/dbraw/zinc/49/35/24/487493524.db2.gz DJGDKDDSGYSPDP-UHFFFAOYSA-N 1 2 210.256 1.010 20 0 BDADLO FCCn1ncnc1C[N@@H+]1CC=CCC1 ZINC000685037275 487493529 /nfs/dbraw/zinc/49/35/29/487493529.db2.gz DJGDKDDSGYSPDP-UHFFFAOYSA-N 1 2 210.256 1.010 20 0 BDADLO CCCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000668230586 487495434 /nfs/dbraw/zinc/49/54/34/487495434.db2.gz XMFBMSIZSGLROT-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO CCCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000668230586 487495438 /nfs/dbraw/zinc/49/54/38/487495438.db2.gz XMFBMSIZSGLROT-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO CN(CCCO)c1cc[nH+]c(C(C)(C)C)n1 ZINC000685040509 487495578 /nfs/dbraw/zinc/49/55/78/487495578.db2.gz YLHUBLOUAGUUGA-UHFFFAOYSA-N 1 2 223.320 1.593 20 0 BDADLO CN1CC[C@H]([N@@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000674009210 487498103 /nfs/dbraw/zinc/49/81/03/487498103.db2.gz HOXYETWHMBJBKR-OLZOCXBDSA-N 1 2 248.301 1.803 20 0 BDADLO CN1CC[C@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000674009210 487498109 /nfs/dbraw/zinc/49/81/09/487498109.db2.gz HOXYETWHMBJBKR-OLZOCXBDSA-N 1 2 248.301 1.803 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000454994911 487498386 /nfs/dbraw/zinc/49/83/86/487498386.db2.gz MZLIQTCEMVXWHX-ZJUUUORDSA-N 1 2 236.319 1.265 20 0 BDADLO FC(F)C1CN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668232259 487500202 /nfs/dbraw/zinc/50/02/02/487500202.db2.gz JJUQTZFFYDWQMK-UHFFFAOYSA-N 1 2 227.258 1.526 20 0 BDADLO Cc1[nH+]cc(CN2CC3(C2)CCOCC3)n1C ZINC000668232433 487501140 /nfs/dbraw/zinc/50/11/40/487501140.db2.gz QRYZYGYAKWMIQY-UHFFFAOYSA-N 1 2 235.331 1.341 20 0 BDADLO CC(F)(F)CCC(=O)NCc1c[nH+]c[nH]1 ZINC000673935579 487502320 /nfs/dbraw/zinc/50/23/20/487502320.db2.gz OEXGWPWNUDKMPK-UHFFFAOYSA-N 1 2 217.219 1.461 20 0 BDADLO CC(F)(F)CCC(=O)NCc1c[nH]c[nH+]1 ZINC000673935579 487502323 /nfs/dbraw/zinc/50/23/23/487502323.db2.gz OEXGWPWNUDKMPK-UHFFFAOYSA-N 1 2 217.219 1.461 20 0 BDADLO CCc1cc(N(C)C[C@H]2CCOC2)nc[nH+]1 ZINC000674069183 487502659 /nfs/dbraw/zinc/50/26/59/487502659.db2.gz WDWAXWKDUUOMBH-SNVBAGLBSA-N 1 2 221.304 1.512 20 0 BDADLO C[C@H](O)CN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000674063814 487506134 /nfs/dbraw/zinc/50/61/34/487506134.db2.gz NFAALLUUGBPMRF-VIFPVBQESA-N 1 2 223.320 1.591 20 0 BDADLO CC(C)(C)c1nc(NC[C@@H](O)C2CC2)cc[nH+]1 ZINC000674065356 487507761 /nfs/dbraw/zinc/50/77/61/487507761.db2.gz FCLDVJPLQQLPAT-SNVBAGLBSA-N 1 2 235.331 1.957 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CCCC1 ZINC000674135527 487521273 /nfs/dbraw/zinc/52/12/73/487521273.db2.gz BVRRHQONAJZRLG-VIFPVBQESA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CCCC1 ZINC000674135527 487521277 /nfs/dbraw/zinc/52/12/77/487521277.db2.gz BVRRHQONAJZRLG-VIFPVBQESA-N 1 2 221.304 1.852 20 0 BDADLO CCn1cc(C[NH2+]Cc2occc2C)nn1 ZINC000404412700 488156523 /nfs/dbraw/zinc/15/65/23/488156523.db2.gz KMGFBMPBQLWQKH-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO CCC[C@@H](C)CS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000677600969 488158851 /nfs/dbraw/zinc/15/88/51/488158851.db2.gz VYMHDIJQDRDNNZ-SECBINFHSA-N 1 2 245.348 1.265 20 0 BDADLO COc1ccc(N[C@@H](C)c2ccn(C)n2)[nH+]c1 ZINC000665739600 487671384 /nfs/dbraw/zinc/67/13/84/487671384.db2.gz LBSLIHPFAJOACJ-VIFPVBQESA-N 1 2 232.287 1.997 20 0 BDADLO CC(C)OCCCN(C)c1cc(CO)cc[nH+]1 ZINC000382808394 487766796 /nfs/dbraw/zinc/76/67/96/487766796.db2.gz OBBKCEZUULZHME-UHFFFAOYSA-N 1 2 238.331 1.825 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1[nH]nc2ccccc21 ZINC000678266887 487784990 /nfs/dbraw/zinc/78/49/90/487784990.db2.gz WCILPQHZQPXENM-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1[nH]nc2ccccc21 ZINC000678266887 487784995 /nfs/dbraw/zinc/78/49/95/487784995.db2.gz WCILPQHZQPXENM-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)Cc1n[nH]c2ccccc21 ZINC000678266887 487785002 /nfs/dbraw/zinc/78/50/02/487785002.db2.gz WCILPQHZQPXENM-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)Cc1n[nH]c2ccccc21 ZINC000678266887 487785006 /nfs/dbraw/zinc/78/50/06/487785006.db2.gz WCILPQHZQPXENM-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667870797 488143721 /nfs/dbraw/zinc/14/37/21/488143721.db2.gz DZOLQMQYGOCSPY-NEPJUHHUSA-N 1 2 221.304 1.375 20 0 BDADLO CC[N@H+](CCOC)[C@@H](C)c1nc(C)no1 ZINC000677886151 488147473 /nfs/dbraw/zinc/14/74/73/488147473.db2.gz KXNARWCXRCNCRY-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO CC[N@@H+](CCOC)[C@@H](C)c1nc(C)no1 ZINC000677886151 488147475 /nfs/dbraw/zinc/14/74/75/488147475.db2.gz KXNARWCXRCNCRY-QMMMGPOBSA-N 1 2 213.281 1.407 20 0 BDADLO Cc1cc(NCc2n[nH]c(C(C)C)n2)nc(C)[nH+]1 ZINC000294842789 488157696 /nfs/dbraw/zinc/15/76/96/488157696.db2.gz AAVGAGYXYCIYCU-UHFFFAOYSA-N 1 2 246.318 1.947 20 0 BDADLO CCc1nc(CNc2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000294835060 488158338 /nfs/dbraw/zinc/15/83/38/488158338.db2.gz AOUDLVKZXXORDS-UHFFFAOYSA-N 1 2 232.291 1.386 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccc(C)cn2)nn1 ZINC000404460922 488158511 /nfs/dbraw/zinc/15/85/11/488158511.db2.gz SXFNUJQOZVPILV-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCn1cc(C[NH2+]Cc2csc(C)c2)nn1 ZINC000404440277 488161030 /nfs/dbraw/zinc/16/10/30/488161030.db2.gz WCFFEFVTLQWMGZ-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2cn(CC)nn2)cn1 ZINC000404488883 488163915 /nfs/dbraw/zinc/16/39/15/488163915.db2.gz FOTIQKPGFUSBEE-JTQLQIEISA-N 1 2 248.334 1.365 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ccccn2)nn1 ZINC000404469755 488165240 /nfs/dbraw/zinc/16/52/40/488165240.db2.gz ZZJKFMUFBVQGNW-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO CCc1cc(N[C@@H]2CCC[C@H]2C(=O)NC)nc[nH+]1 ZINC000677956732 488165716 /nfs/dbraw/zinc/16/57/16/488165716.db2.gz BKCLZPJLQYKYTA-GHMZBOCLSA-N 1 2 248.330 1.366 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1nc2c(s1)CCC2 ZINC000667958425 488168251 /nfs/dbraw/zinc/16/82/51/488168251.db2.gz HYOFHNDZNQLWLR-UHFFFAOYSA-N 1 2 248.311 1.285 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1nc2c(s1)CCC2 ZINC000667958425 488168255 /nfs/dbraw/zinc/16/82/55/488168255.db2.gz HYOFHNDZNQLWLR-UHFFFAOYSA-N 1 2 248.311 1.285 20 0 BDADLO FC(F)(F)[C@@H]1COCCN1CCn1cc[nH+]c1 ZINC000677987772 488168754 /nfs/dbraw/zinc/16/87/54/488168754.db2.gz HYCLCRUERPRKCO-VIFPVBQESA-N 1 2 249.236 1.146 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC12CCOCC2 ZINC000683525882 488186601 /nfs/dbraw/zinc/18/66/01/488186601.db2.gz KJJNBFWKKCEELG-UHFFFAOYSA-N 1 2 249.314 1.702 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CCC12CCOCC2 ZINC000683525882 488186604 /nfs/dbraw/zinc/18/66/04/488186604.db2.gz KJJNBFWKKCEELG-UHFFFAOYSA-N 1 2 249.314 1.702 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000683528229 488187884 /nfs/dbraw/zinc/18/78/84/488187884.db2.gz ZYGLDRPANLKCKA-VXGBXAGGSA-N 1 2 249.310 1.547 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC000683528229 488187885 /nfs/dbraw/zinc/18/78/85/488187885.db2.gz ZYGLDRPANLKCKA-VXGBXAGGSA-N 1 2 249.310 1.547 20 0 BDADLO CC(C)c1nc(N2CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000678064388 488190483 /nfs/dbraw/zinc/19/04/83/488190483.db2.gz ZWZSRBIDSFXQHQ-SECBINFHSA-N 1 2 235.335 1.660 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH+]c[nH]2)sc1C ZINC000683551389 488192746 /nfs/dbraw/zinc/19/27/46/488192746.db2.gz CNCOQEBQCFVJKI-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH]c[nH+]2)sc1C ZINC000683551389 488192749 /nfs/dbraw/zinc/19/27/49/488192749.db2.gz CNCOQEBQCFVJKI-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO NC(=O)CCC1CC[NH+](CC(F)F)CC1 ZINC000678087625 488194800 /nfs/dbraw/zinc/19/48/00/488194800.db2.gz PAJVAWJPGLZXGS-UHFFFAOYSA-N 1 2 220.263 1.229 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2nc(C)no2)CO1 ZINC000668050683 488195769 /nfs/dbraw/zinc/19/57/69/488195769.db2.gz XSFKYFHJFVLUSF-FKTZTGRPSA-N 1 2 225.292 1.596 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1cncs1 ZINC000678127956 488201732 /nfs/dbraw/zinc/20/17/32/488201732.db2.gz XEWDHAPFTFNOSN-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO C([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1noc(C2CC2)n1 ZINC000668096761 488201859 /nfs/dbraw/zinc/20/18/59/488201859.db2.gz PUFNBEUDRFWUJJ-WDEREUQCSA-N 1 2 249.314 1.604 20 0 BDADLO CCn1c[nH+]cc1CNc1ccc(OC)cn1 ZINC000668154931 488211125 /nfs/dbraw/zinc/21/11/25/488211125.db2.gz ODDWAHUWCOUKLX-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO c1cc([C@@H]2CCC[N@@H+](Cc3cn[nH]c3)C2)[nH]n1 ZINC000678185806 488214779 /nfs/dbraw/zinc/21/47/79/488214779.db2.gz ZXVJDAXNXZFSPL-LLVKDONJSA-N 1 2 231.303 1.512 20 0 BDADLO c1cc([C@@H]2CCC[N@H+](Cc3cn[nH]c3)C2)[nH]n1 ZINC000678185806 488214783 /nfs/dbraw/zinc/21/47/83/488214783.db2.gz ZXVJDAXNXZFSPL-LLVKDONJSA-N 1 2 231.303 1.512 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C)o2)[C@@H]1OC ZINC000231640197 488218633 /nfs/dbraw/zinc/21/86/33/488218633.db2.gz HKIKQDKCCZGQAC-UMNHJUIQSA-N 1 2 240.303 1.265 20 0 BDADLO CCn1cc([C@H](C)[NH2+]Cc2csnn2)cn1 ZINC000398420598 488219546 /nfs/dbraw/zinc/21/95/46/488219546.db2.gz PIWDFYQOVBHLHC-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO CC(F)(F)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668194460 488219624 /nfs/dbraw/zinc/21/96/24/488219624.db2.gz JFMYWPPUQJAGTH-DTWKUNHWSA-N 1 2 205.248 1.799 20 0 BDADLO O[C@@H]1C[N@H+](C[C@H]2CCSC2)CC(F)(F)C1 ZINC000683839565 488230249 /nfs/dbraw/zinc/23/02/49/488230249.db2.gz LGEDMTDULNTAKC-BDAKNGLRSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC(F)(F)C1 ZINC000683839565 488230251 /nfs/dbraw/zinc/23/02/51/488230251.db2.gz LGEDMTDULNTAKC-BDAKNGLRSA-N 1 2 237.315 1.441 20 0 BDADLO CC(C)(O)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683850817 488232226 /nfs/dbraw/zinc/23/22/26/488232226.db2.gz LEPOHNAQCULMKQ-UHFFFAOYSA-N 1 2 247.298 1.824 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]2C[C@H]21 ZINC000672121768 488237865 /nfs/dbraw/zinc/23/78/65/488237865.db2.gz IZJHKBUPSDNOPR-DMDPSCGWSA-N 1 2 245.326 1.456 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn(C)cn1 ZINC000683897121 488238927 /nfs/dbraw/zinc/23/89/27/488238927.db2.gz NOZGKTGXVZAVER-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(C)cn1 ZINC000683897121 488238929 /nfs/dbraw/zinc/23/89/29/488238929.db2.gz NOZGKTGXVZAVER-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO Cc1nc(C)c(C[NH+]2CCN(C3CC3)CC2)o1 ZINC000683898120 488240537 /nfs/dbraw/zinc/24/05/37/488240537.db2.gz LPUPEWDIPDETFT-UHFFFAOYSA-N 1 2 235.331 1.571 20 0 BDADLO CC1(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147797 488240885 /nfs/dbraw/zinc/24/08/85/488240885.db2.gz WUCUWEPROJBZQJ-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO CC1(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147798 488241120 /nfs/dbraw/zinc/24/11/20/488241120.db2.gz WUCUWEPROJBZQJ-SNVBAGLBSA-N 1 2 233.315 1.504 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1nccs1 ZINC000672157517 488242788 /nfs/dbraw/zinc/24/27/88/488242788.db2.gz HRBVXIZOBXULPY-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO CC(C)n1ncnc1COCc1[nH]cc[nH+]1 ZINC000683926348 488245766 /nfs/dbraw/zinc/24/57/66/488245766.db2.gz QZHCVWKSYNJAFR-UHFFFAOYSA-N 1 2 221.264 1.299 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CSC[C@H]1C ZINC000672222139 488245801 /nfs/dbraw/zinc/24/58/01/488245801.db2.gz AQKOJDFBALUTLU-XCBNKYQSSA-N 1 2 239.344 1.128 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CSC[C@H]1C ZINC000672222139 488245804 /nfs/dbraw/zinc/24/58/04/488245804.db2.gz AQKOJDFBALUTLU-XCBNKYQSSA-N 1 2 239.344 1.128 20 0 BDADLO CCc1nc(N2CC(C)(F)C2)cc(C)[nH+]1 ZINC000672271540 488249010 /nfs/dbraw/zinc/24/90/10/488249010.db2.gz JSMNQDPMJYCGBF-UHFFFAOYSA-N 1 2 209.268 1.896 20 0 BDADLO CCc1nnc(C[N@H+](C)CCCCCO)s1 ZINC000684002380 488254008 /nfs/dbraw/zinc/25/40/08/488254008.db2.gz FQADSOWCMVEQOM-UHFFFAOYSA-N 1 2 243.376 1.695 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCCCCO)s1 ZINC000684002380 488254010 /nfs/dbraw/zinc/25/40/10/488254010.db2.gz FQADSOWCMVEQOM-UHFFFAOYSA-N 1 2 243.376 1.695 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000672551958 488259366 /nfs/dbraw/zinc/25/93/66/488259366.db2.gz CUWTWDHTEQATSZ-JGVFFNPUSA-N 1 2 230.262 1.463 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000672551958 488259369 /nfs/dbraw/zinc/25/93/69/488259369.db2.gz CUWTWDHTEQATSZ-JGVFFNPUSA-N 1 2 230.262 1.463 20 0 BDADLO CCOCCN(C)c1cc(CC)[nH+]cn1 ZINC000678485323 488260899 /nfs/dbraw/zinc/26/08/99/488260899.db2.gz WQSVOUABSMCGRP-UHFFFAOYSA-N 1 2 209.293 1.512 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000678544735 488265345 /nfs/dbraw/zinc/26/53/45/488265345.db2.gz FAJDESBZFNDWAB-UHFFFAOYSA-N 1 2 248.290 1.082 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nnc(C)s1 ZINC000678623031 488273262 /nfs/dbraw/zinc/27/32/62/488273262.db2.gz IWMLFJITDUYBND-SSDOTTSWSA-N 1 2 215.322 1.313 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nnc(C)s1 ZINC000678623031 488273264 /nfs/dbraw/zinc/27/32/64/488273264.db2.gz IWMLFJITDUYBND-SSDOTTSWSA-N 1 2 215.322 1.313 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000684192862 488273795 /nfs/dbraw/zinc/27/37/95/488273795.db2.gz ZUJDDIUOGNKOTK-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1cc(NC(=O)N2CC(C)(F)C2)c(C)c[nH+]1 ZINC000684233634 488280182 /nfs/dbraw/zinc/28/01/82/488280182.db2.gz NGLVWPWSXKFZCX-UHFFFAOYSA-N 1 2 237.278 1.696 20 0 BDADLO CCC[C@@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000678774375 488281802 /nfs/dbraw/zinc/28/18/02/488281802.db2.gz XVVHQIGBOAXKLD-SNVBAGLBSA-N 1 2 238.335 1.750 20 0 BDADLO CCc1noc(C[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000678805212 488285566 /nfs/dbraw/zinc/28/55/66/488285566.db2.gz ZJYRRDCYCNHVHT-NSHDSACASA-N 1 2 247.298 1.455 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H](C)C2CC2)c[nH+]1 ZINC000673477807 488289211 /nfs/dbraw/zinc/28/92/11/488289211.db2.gz MEEJITOASPTFKY-ZETCQYMHSA-N 1 2 234.303 1.030 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccnc2N(C)C)on1 ZINC000673601532 488297082 /nfs/dbraw/zinc/29/70/82/488297082.db2.gz ZHTAAJDANSZIFS-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccnn1C(C)C ZINC000684357022 488299921 /nfs/dbraw/zinc/29/99/21/488299921.db2.gz OGXUPCLKMCWERT-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccnn1C(C)C ZINC000684357022 488299924 /nfs/dbraw/zinc/29/99/24/488299924.db2.gz OGXUPCLKMCWERT-UHFFFAOYSA-N 1 2 238.335 1.032 20 0 BDADLO Cn1cc(CCC[N@@H+]2CCC(F)(F)C2)cn1 ZINC000678975009 488300351 /nfs/dbraw/zinc/30/03/51/488300351.db2.gz LQALWOLEMSLIDU-UHFFFAOYSA-N 1 2 229.274 1.694 20 0 BDADLO Cn1cc(CCC[N@H+]2CCC(F)(F)C2)cn1 ZINC000678975009 488300354 /nfs/dbraw/zinc/30/03/54/488300354.db2.gz LQALWOLEMSLIDU-UHFFFAOYSA-N 1 2 229.274 1.694 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCn1cccc1 ZINC000673658528 488300862 /nfs/dbraw/zinc/30/08/62/488300862.db2.gz NDPXESXJZCEZEM-UHFFFAOYSA-N 1 2 246.314 1.270 20 0 BDADLO CC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000673655952 488300966 /nfs/dbraw/zinc/30/09/66/488300966.db2.gz CGTKAAKTGWVPPV-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CC[C@@H](Nc1cnn(CCO)c1)c1[nH+]ccn1C ZINC000679083030 488306816 /nfs/dbraw/zinc/30/68/16/488306816.db2.gz KJWUNJGVDOMYEL-LLVKDONJSA-N 1 2 249.318 1.172 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC=CCC2)on1 ZINC000679323335 488336978 /nfs/dbraw/zinc/33/69/78/488336978.db2.gz NLEINLDSNXTFAX-UHFFFAOYSA-N 1 2 221.260 1.183 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC=CCC2)on1 ZINC000679323335 488336979 /nfs/dbraw/zinc/33/69/79/488336979.db2.gz NLEINLDSNXTFAX-UHFFFAOYSA-N 1 2 221.260 1.183 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C)n2)C[C@H]1F ZINC000679220233 488318478 /nfs/dbraw/zinc/31/84/78/488318478.db2.gz DAPVDKJXZXSAQA-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@H]1F ZINC000679220233 488318481 /nfs/dbraw/zinc/31/84/81/488318481.db2.gz DAPVDKJXZXSAQA-MWLCHTKSSA-N 1 2 211.284 1.600 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1F ZINC000679220071 488318749 /nfs/dbraw/zinc/31/87/49/488318749.db2.gz DTPNELSILZXSTR-MNOVXSKESA-N 1 2 228.311 1.289 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1F ZINC000679220071 488318751 /nfs/dbraw/zinc/31/87/51/488318751.db2.gz DTPNELSILZXSTR-MNOVXSKESA-N 1 2 228.311 1.289 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225179 488321856 /nfs/dbraw/zinc/32/18/56/488321856.db2.gz QBHCRHLXJZHGFV-OUAUKWLOSA-N 1 2 244.354 1.970 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679225179 488321858 /nfs/dbraw/zinc/32/18/58/488321858.db2.gz QBHCRHLXJZHGFV-OUAUKWLOSA-N 1 2 244.354 1.970 20 0 BDADLO C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@H]1F ZINC000679227181 488322476 /nfs/dbraw/zinc/32/24/76/488322476.db2.gz XDRHHXMCDIMACA-ZYHUDNBSSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@H]1F ZINC000679227181 488322477 /nfs/dbraw/zinc/32/24/77/488322477.db2.gz XDRHHXMCDIMACA-ZYHUDNBSSA-N 1 2 242.338 1.583 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(C)(F)C2)[nH+]1 ZINC000684593263 488329983 /nfs/dbraw/zinc/32/99/83/488329983.db2.gz YTVPOHCZKJCYRY-UHFFFAOYSA-N 1 2 220.251 1.815 20 0 BDADLO CCc1cc(N2CC(C)(F)C2)nc(C)[nH+]1 ZINC000684593063 488330028 /nfs/dbraw/zinc/33/00/28/488330028.db2.gz UKWWBUWAYOBTEL-UHFFFAOYSA-N 1 2 209.268 1.896 20 0 BDADLO Cc1nc(N2CC([C@@H]3CCOC3)C2)cc[nH+]1 ZINC000684594594 488330211 /nfs/dbraw/zinc/33/02/11/488330211.db2.gz GUFRGWGJGBDZBH-SNVBAGLBSA-N 1 2 219.288 1.258 20 0 BDADLO CC(C)(C)c1nc(N[C@H]2[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000684600831 488330844 /nfs/dbraw/zinc/33/08/44/488330844.db2.gz JBBOJIZWDDKSNZ-JZYVYDRUSA-N 1 2 233.315 1.831 20 0 BDADLO O=C(C[N@H+]1CC=CCC1)NCc1cccs1 ZINC000679323739 488333271 /nfs/dbraw/zinc/33/32/71/488333271.db2.gz IYBWMXJDWBVZHI-UHFFFAOYSA-N 1 2 236.340 1.626 20 0 BDADLO O=C(C[N@@H+]1CC=CCC1)NCc1cccs1 ZINC000679323739 488333274 /nfs/dbraw/zinc/33/32/74/488333274.db2.gz IYBWMXJDWBVZHI-UHFFFAOYSA-N 1 2 236.340 1.626 20 0 BDADLO Cn1cnc(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000684820456 488345800 /nfs/dbraw/zinc/34/58/00/488345800.db2.gz AOFJZONGMHHRTH-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccon1 ZINC000684820988 488346319 /nfs/dbraw/zinc/34/63/19/488346319.db2.gz KBTHWWFHEHDREH-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO CC(C)Cn1ncnc1CN(C)Cc1[nH]cc[nH+]1 ZINC000684836411 488347881 /nfs/dbraw/zinc/34/78/81/488347881.db2.gz KVFMWWBIGBPJRR-UHFFFAOYSA-N 1 2 248.334 1.289 20 0 BDADLO Cc1nc(NC(=O)NCc2[nH]cc[nH+]2)cs1 ZINC000684837580 488348173 /nfs/dbraw/zinc/34/81/73/488348173.db2.gz ZSQWRILINRTMBH-UHFFFAOYSA-N 1 2 237.288 1.496 20 0 BDADLO Cn1nccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000684839465 488348434 /nfs/dbraw/zinc/34/84/34/488348434.db2.gz QFRNXTSTEPUQOO-UHFFFAOYSA-N 1 2 227.271 1.909 20 0 BDADLO O=C(Cc1cc[nH]n1)Nc1ccn2cc[nH+]c2c1 ZINC000684855065 488349294 /nfs/dbraw/zinc/34/92/94/488349294.db2.gz IXIWIBXVOYRHQR-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO FC1=CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000679389916 488349495 /nfs/dbraw/zinc/34/94/95/488349495.db2.gz LESCEUSTTSUPFB-UHFFFAOYSA-N 1 2 245.261 1.726 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC2(C)C)no1 ZINC000679534305 488356813 /nfs/dbraw/zinc/35/68/13/488356813.db2.gz KTKZFPJYAIGZNK-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CCCC2(C)C)no1 ZINC000679534305 488356814 /nfs/dbraw/zinc/35/68/14/488356814.db2.gz KTKZFPJYAIGZNK-UHFFFAOYSA-N 1 2 225.292 1.590 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1ncccc1F)CC2 ZINC000679845946 488368483 /nfs/dbraw/zinc/36/84/83/488368483.db2.gz KJEGAVARVQAKEA-UHFFFAOYSA-N 1 2 232.262 1.746 20 0 BDADLO Cc1nc(NCCNc2ncccn2)cc[nH+]1 ZINC000608080917 490102496 /nfs/dbraw/zinc/10/24/96/490102496.db2.gz VMLPRAWPRIYXNH-UHFFFAOYSA-N 1 2 230.275 1.099 20 0 BDADLO CC(C)S(=O)(=O)CCC[N@H+]1CC=CCC1 ZINC000679321993 490111399 /nfs/dbraw/zinc/11/13/99/490111399.db2.gz RBBBLSYPFACZRO-UHFFFAOYSA-N 1 2 231.361 1.462 20 0 BDADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=CCC1 ZINC000679321993 490111402 /nfs/dbraw/zinc/11/14/02/490111402.db2.gz RBBBLSYPFACZRO-UHFFFAOYSA-N 1 2 231.361 1.462 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC=CCC2)on1 ZINC000679322228 490113595 /nfs/dbraw/zinc/11/35/95/490113595.db2.gz WNHNGAFDDDBYBO-JTQLQIEISA-N 1 2 235.287 1.572 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC=CCC2)on1 ZINC000679322228 490113605 /nfs/dbraw/zinc/11/36/05/490113605.db2.gz WNHNGAFDDDBYBO-JTQLQIEISA-N 1 2 235.287 1.572 20 0 BDADLO COc1ccc(NC(=O)C[N@H+]2CC=CCC2)cc1 ZINC000679322478 490113635 /nfs/dbraw/zinc/11/36/35/490113635.db2.gz KRPRJYRWORJXCR-UHFFFAOYSA-N 1 2 246.310 1.896 20 0 BDADLO COc1ccc(NC(=O)C[N@@H+]2CC=CCC2)cc1 ZINC000679322478 490113643 /nfs/dbraw/zinc/11/36/43/490113643.db2.gz KRPRJYRWORJXCR-UHFFFAOYSA-N 1 2 246.310 1.896 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC[C@H]1CCCS1 ZINC000122099392 490125684 /nfs/dbraw/zinc/12/56/84/490125684.db2.gz CIKRZUIBQKMFQO-MRVPVSSYSA-N 1 2 249.343 1.671 20 0 BDADLO O=C(C[N@H+]1CCC[C@@H](O)C1)c1ccccc1F ZINC000050152836 490196602 /nfs/dbraw/zinc/19/66/02/490196602.db2.gz AHNMLWCLKMJVRQ-SNVBAGLBSA-N 1 2 237.274 1.465 20 0 BDADLO O=C(C[N@@H+]1CCC[C@@H](O)C1)c1ccccc1F ZINC000050152836 490196609 /nfs/dbraw/zinc/19/66/09/490196609.db2.gz AHNMLWCLKMJVRQ-SNVBAGLBSA-N 1 2 237.274 1.465 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CCC23CCCC3)no1 ZINC000649655671 490199083 /nfs/dbraw/zinc/19/90/83/490199083.db2.gz LBQNTQVVYHSIAN-UHFFFAOYSA-N 1 2 249.314 1.362 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CCC23CCCC3)no1 ZINC000649655671 490199087 /nfs/dbraw/zinc/19/90/87/490199087.db2.gz LBQNTQVVYHSIAN-UHFFFAOYSA-N 1 2 249.314 1.362 20 0 BDADLO Cc1ncccc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657570365 490285126 /nfs/dbraw/zinc/28/51/26/490285126.db2.gz RVXKQAZXECMOFE-CABZTGNLSA-N 1 2 243.314 1.777 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1nn(C)cc1Cl ZINC000661092163 490391451 /nfs/dbraw/zinc/39/14/51/490391451.db2.gz HJKJCVXJDAWIDQ-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1nn(C)cc1Cl ZINC000661092163 490391456 /nfs/dbraw/zinc/39/14/56/490391456.db2.gz HJKJCVXJDAWIDQ-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO CC(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000074727019 490500137 /nfs/dbraw/zinc/50/01/37/490500137.db2.gz VWBBBXQNWLIBNW-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CC(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000074727019 490500146 /nfs/dbraw/zinc/50/01/46/490500146.db2.gz VWBBBXQNWLIBNW-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CCCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000074727025 490500668 /nfs/dbraw/zinc/50/06/68/490500668.db2.gz LUJSKPRIYIAZBM-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO CCCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000074727025 490500673 /nfs/dbraw/zinc/50/06/73/490500673.db2.gz LUJSKPRIYIAZBM-UHFFFAOYSA-N 1 2 209.293 1.601 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCc1cccs1 ZINC000074726883 490501342 /nfs/dbraw/zinc/50/13/42/490501342.db2.gz KIQUOOVZQYMCMU-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCc1cccs1 ZINC000074726883 490501347 /nfs/dbraw/zinc/50/13/47/490501347.db2.gz KIQUOOVZQYMCMU-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO COCC[C@@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225835298 491051187 /nfs/dbraw/zinc/05/11/87/491051187.db2.gz UQROGZQDHBAKNP-SECBINFHSA-N 1 2 210.277 1.927 20 0 BDADLO Cc1c([C@@H]2C[C@H]2Nc2cc(C)[nH+]cn2)cnn1C ZINC000582584883 491066911 /nfs/dbraw/zinc/06/69/11/491066911.db2.gz VTLUJLWYRBRIQA-CMPLNLGQSA-N 1 2 243.314 1.795 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053425292 491083022 /nfs/dbraw/zinc/08/30/22/491083022.db2.gz FHHOWPQLNIZHKH-MWLCHTKSSA-N 1 2 236.315 1.581 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053425292 491083024 /nfs/dbraw/zinc/08/30/24/491083024.db2.gz FHHOWPQLNIZHKH-MWLCHTKSSA-N 1 2 236.315 1.581 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccc(O)cc1 ZINC000228410259 491094310 /nfs/dbraw/zinc/09/43/10/491094310.db2.gz SMRGSUJDUQUGKS-UHFFFAOYSA-N 1 2 232.287 1.293 20 0 BDADLO Cc1coc(C)c1C(=O)NCCc1c[nH+]cn1C ZINC000671793647 491107225 /nfs/dbraw/zinc/10/72/25/491107225.db2.gz RKBVXHUGXIIWBR-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@]1(C)CC=CCC1 ZINC000334632142 491124097 /nfs/dbraw/zinc/12/40/97/491124097.db2.gz QSKPHPMJJNZACF-CYBMUJFWSA-N 1 2 233.315 1.783 20 0 BDADLO OCC1([NH2+]Cc2nnsc2Cl)CCCC1 ZINC000304891600 491128208 /nfs/dbraw/zinc/12/82/08/491128208.db2.gz ODDDWCVKTBQDPL-UHFFFAOYSA-N 1 2 247.751 1.586 20 0 BDADLO CCOC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000091679703 491131498 /nfs/dbraw/zinc/13/14/98/491131498.db2.gz NMNTYJKQKPOMMD-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1csc(C)n1 ZINC000309081654 491144377 /nfs/dbraw/zinc/14/43/77/491144377.db2.gz QLZWDWPVYWTGMF-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1csc(C)n1 ZINC000309081654 491144378 /nfs/dbraw/zinc/14/43/78/491144378.db2.gz QLZWDWPVYWTGMF-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO C[C@@H]1CCC[C@@]1(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493285024 533803779 /nfs/dbraw/zinc/80/37/79/533803779.db2.gz CAMSFAXWANVMDB-LWKRHUJOSA-N 1 2 249.314 1.090 20 0 BDADLO O=C(NC/C=C\Cl)[C@H]1CCc2c[nH+]cn2C1 ZINC000891201419 582627257 /nfs/dbraw/zinc/62/72/57/582627257.db2.gz WYGPNMKJVVFHBB-LVXRCVOFSA-N 1 2 239.706 1.314 20 0 BDADLO C[C@@H]1CCC[C@]1(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493778769 533903953 /nfs/dbraw/zinc/90/39/53/533903953.db2.gz MTZPVJRDTWAJSK-YAUPHVJRSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1C ZINC000492765974 533913292 /nfs/dbraw/zinc/91/32/92/533913292.db2.gz MJGZLFLAIHQTGU-HWKXXFMVSA-N 1 2 219.288 1.680 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000348060257 535575174 /nfs/dbraw/zinc/57/51/74/535575174.db2.gz MGUKRTFODXZZKM-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000348060257 535575178 /nfs/dbraw/zinc/57/51/78/535575178.db2.gz MGUKRTFODXZZKM-SNVBAGLBSA-N 1 2 224.304 1.626 20 0 BDADLO CCC[C@H](C)C[N@@H+]1CCOC[C@@H]1C(=O)OC ZINC000164382405 535612667 /nfs/dbraw/zinc/61/26/67/535612667.db2.gz SMASNMCVVURMPN-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO CCC[C@H](C)C[N@H+]1CCOC[C@@H]1C(=O)OC ZINC000164382405 535612671 /nfs/dbraw/zinc/61/26/71/535612671.db2.gz SMASNMCVVURMPN-WDEREUQCSA-N 1 2 229.320 1.296 20 0 BDADLO COC(=O)N1CC[NH+](CCc2cccnc2)CC1 ZINC000493969040 534002189 /nfs/dbraw/zinc/00/21/89/534002189.db2.gz QTJSXVKLZJGVMI-UHFFFAOYSA-N 1 2 249.314 1.008 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493490884 534023670 /nfs/dbraw/zinc/02/36/70/534023670.db2.gz JYGODWSJXVIEIM-HVSMVGKISA-N 1 2 205.261 1.195 20 0 BDADLO COCC[N@H+](C)Cc1nccn1C1CC1 ZINC000891575049 582698694 /nfs/dbraw/zinc/69/86/94/582698694.db2.gz XGFVGNGTAOCSLG-UHFFFAOYSA-N 1 2 209.293 1.296 20 0 BDADLO COCC[N@@H+](C)Cc1nccn1C1CC1 ZINC000891575049 582698695 /nfs/dbraw/zinc/69/86/95/582698695.db2.gz XGFVGNGTAOCSLG-UHFFFAOYSA-N 1 2 209.293 1.296 20 0 BDADLO C[C@@H]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000492892944 534149491 /nfs/dbraw/zinc/14/94/91/534149491.db2.gz FRUNGNXWMBYYIT-HIHHVFROSA-N 1 2 249.314 1.495 20 0 BDADLO C[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857717 534178210 /nfs/dbraw/zinc/17/82/10/534178210.db2.gz DYOIRRTUQIWOTH-MOVJSRMASA-N 1 2 205.261 1.434 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ncnn1CC(F)F ZINC000488206771 534228219 /nfs/dbraw/zinc/22/82/19/534228219.db2.gz WZVATIHXJGCVPA-DTORHVGOSA-N 1 2 244.289 1.916 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncnn1CC(F)F ZINC000488206771 534228225 /nfs/dbraw/zinc/22/82/25/534228225.db2.gz WZVATIHXJGCVPA-DTORHVGOSA-N 1 2 244.289 1.916 20 0 BDADLO COC[C@@H](C)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892025734 582765357 /nfs/dbraw/zinc/76/53/57/582765357.db2.gz VKYKKUVHEPWJNF-VHSXEESVSA-N 1 2 224.304 1.829 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC1(F)CCC1)C1CC1 ZINC000309599041 518010937 /nfs/dbraw/zinc/01/09/37/518010937.db2.gz XBVQSYPQUAAUIZ-SNVBAGLBSA-N 1 2 229.295 1.810 20 0 BDADLO Cc1nc(N2CCC[C@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488417040 534435072 /nfs/dbraw/zinc/43/50/72/534435072.db2.gz RIQOYBXNHOZCIY-UWVGGRQHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@H](C)[C@@H]2C)[nH+]1 ZINC000488417040 534435077 /nfs/dbraw/zinc/43/50/77/534435077.db2.gz RIQOYBXNHOZCIY-UWVGGRQHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N2CCC[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488417048 534435301 /nfs/dbraw/zinc/43/53/01/534435301.db2.gz RIQOYBXNHOZCIY-ZJUUUORDSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000488417048 534435302 /nfs/dbraw/zinc/43/53/02/534435302.db2.gz RIQOYBXNHOZCIY-ZJUUUORDSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N2C[C@H](C)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488406739 534435323 /nfs/dbraw/zinc/43/53/23/534435323.db2.gz BGVSDFRHBHVPKJ-BDAKNGLRSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1nc(N(C)C)nc(N2C[C@H](C)C[C@@H]2C)[nH+]1 ZINC000488406739 534435329 /nfs/dbraw/zinc/43/53/29/534435329.db2.gz BGVSDFRHBHVPKJ-BDAKNGLRSA-N 1 2 235.335 1.481 20 0 BDADLO Cc1cc(CNc2cccc[nH+]2)ncn1 ZINC000393612469 582820734 /nfs/dbraw/zinc/82/07/34/582820734.db2.gz XZKSWWQMDHHZLI-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccn(C)c1 ZINC000493431999 534718771 /nfs/dbraw/zinc/71/87/71/534718771.db2.gz LPBVPFBCNGCRJJ-ONEGZZNKSA-N 1 2 244.298 1.386 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCO[C@@H]2CCC[C@H]21 ZINC000493662571 534787008 /nfs/dbraw/zinc/78/70/08/534787008.db2.gz PQIRCEQCAHQXMI-XKFHPXPTSA-N 1 2 247.298 1.203 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC12CCCC2 ZINC000492965818 534802203 /nfs/dbraw/zinc/80/22/03/534802203.db2.gz WVJMCSFIRAOCOD-DLRQAJBASA-N 1 2 231.299 1.872 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CC1 ZINC000492892975 534802424 /nfs/dbraw/zinc/80/24/24/534802424.db2.gz FUWIXFLNRMXQCT-CBZSPVTBSA-N 1 2 217.272 1.338 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ncccc1F ZINC000492860423 534803726 /nfs/dbraw/zinc/80/37/26/534803726.db2.gz IBXQQTATOWIRFB-ARJAWSKDSA-N 1 2 246.245 1.273 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cc(F)ccc1O ZINC000492859597 534805040 /nfs/dbraw/zinc/80/50/40/534805040.db2.gz GSHHORGBAXYBMA-RQOWECAXSA-N 1 2 247.229 1.906 20 0 BDADLO CC(C)c1nc(N2CC[C@H](C)[C@H](O)C2)cc[nH+]1 ZINC000301966280 534910025 /nfs/dbraw/zinc/91/00/25/534910025.db2.gz YCERHCMVKUVLIF-WDEREUQCSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)c1nc(N2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC000365762593 534912238 /nfs/dbraw/zinc/91/22/38/534912238.db2.gz FYEXTDSZYZZMHN-PHIMTYICSA-N 1 2 233.315 1.968 20 0 BDADLO CC(C)(NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492891952 527261745 /nfs/dbraw/zinc/26/17/45/527261745.db2.gz DIXSIPXDLIXADW-AATRIKPKSA-N 1 2 219.288 1.728 20 0 BDADLO CC(C)(NC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493619350 527264265 /nfs/dbraw/zinc/26/42/65/527264265.db2.gz NTRFXFFKOLDQII-AATRIKPKSA-N 1 2 219.288 1.728 20 0 BDADLO C(=C\c1ccncc1)\C[N@@H+]1CCn2cnnc2C1 ZINC000494955050 527472685 /nfs/dbraw/zinc/47/26/85/527472685.db2.gz LAWPDPOZIMRUAW-UPHRSURJSA-N 1 2 241.298 1.202 20 0 BDADLO C(=C\c1ccncc1)\C[N@H+]1CCn2cnnc2C1 ZINC000494955050 527472687 /nfs/dbraw/zinc/47/26/87/527472687.db2.gz LAWPDPOZIMRUAW-UPHRSURJSA-N 1 2 241.298 1.202 20 0 BDADLO CC(C)(C)C1CN(C(=O)/C=C\c2[nH]cc[nH+]2)C1 ZINC000493116919 527635357 /nfs/dbraw/zinc/63/53/57/527635357.db2.gz KJQLAOFMOFQYHB-PLNGDYQASA-N 1 2 233.315 1.927 20 0 BDADLO CCC[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866987 527907479 /nfs/dbraw/zinc/90/74/79/527907479.db2.gz QZMWPVSWNMFQOH-ZYOFXKKJSA-N 1 2 237.303 1.090 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+](C)CC[C@H](C)F)n1 ZINC000352050883 536523613 /nfs/dbraw/zinc/52/36/13/536523613.db2.gz WFESZIIUMDXHRB-DTWKUNHWSA-N 1 2 245.298 1.957 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+](C)CC[C@H](C)F)n1 ZINC000352050883 536523617 /nfs/dbraw/zinc/52/36/17/536523617.db2.gz WFESZIIUMDXHRB-DTWKUNHWSA-N 1 2 245.298 1.957 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308363886 527964005 /nfs/dbraw/zinc/96/40/05/527964005.db2.gz JJOFBBRDXZCLQR-AXFHLTTASA-N 1 2 241.331 1.485 20 0 BDADLO CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493487414 528018044 /nfs/dbraw/zinc/01/80/44/528018044.db2.gz NNULVAPYHBLVEO-ONEGZZNKSA-N 1 2 205.261 1.482 20 0 BDADLO CCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000505756990 528181750 /nfs/dbraw/zinc/18/17/50/528181750.db2.gz PITSFMZUPHBQGS-VIFPVBQESA-N 1 2 222.292 1.190 20 0 BDADLO CC(C)c1nc(C[NH2+][C@]2(C)CCO[C@@H]2C)no1 ZINC000494222839 528283575 /nfs/dbraw/zinc/28/35/75/528283575.db2.gz IULZSSXQUMKGAF-BXKDBHETSA-N 1 2 239.319 1.850 20 0 BDADLO CCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493614091 528316115 /nfs/dbraw/zinc/31/61/15/528316115.db2.gz PVOBXQBYXYBKGP-WAYWQWQTSA-N 1 2 207.277 1.681 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493185776 528405549 /nfs/dbraw/zinc/40/55/49/528405549.db2.gz IENMMYIAJJAXRL-YIZUVKHSSA-N 1 2 233.315 1.974 20 0 BDADLO CC(C)C[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493399821 528468217 /nfs/dbraw/zinc/46/82/17/528468217.db2.gz YATUBWIDVCCLEI-LWTINBJPSA-N 1 2 221.304 1.974 20 0 BDADLO CCO/C=C\C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000493700358 528527510 /nfs/dbraw/zinc/52/75/10/528527510.db2.gz XIKCWUIHUOJBOP-IBHLPDHGSA-N 1 2 237.303 1.186 20 0 BDADLO CCN(C[C@@H](C)OC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493160919 528649575 /nfs/dbraw/zinc/64/95/75/528649575.db2.gz SNRMBBZKJWGERS-BRAIEQGRSA-N 1 2 237.303 1.306 20 0 BDADLO CCC(CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492758328 528788710 /nfs/dbraw/zinc/78/87/10/528788710.db2.gz AAFOHTRNWFISOR-WAYWQWQTSA-N 1 2 207.277 1.728 20 0 BDADLO CCC(CC)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493452980 528789758 /nfs/dbraw/zinc/78/97/58/528789758.db2.gz MYHVHAFKIQFGAU-WAYWQWQTSA-N 1 2 207.277 1.728 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000309719341 528858106 /nfs/dbraw/zinc/85/81/06/528858106.db2.gz VJFDTGIWCJDJTC-GMTAPVOTSA-N 1 2 231.336 1.731 20 0 BDADLO CC1(C)CC(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492903187 528886138 /nfs/dbraw/zinc/88/61/38/528886138.db2.gz SNOYERKTFVBJOZ-ONEGZZNKSA-N 1 2 233.315 1.975 20 0 BDADLO CCN(C(=O)/C=C\c1[nH]cc[nH+]1)C1CCC1 ZINC000493231624 528911587 /nfs/dbraw/zinc/91/15/87/528911587.db2.gz YAGFHLOFFUBQRE-SREVYHEPSA-N 1 2 219.288 1.824 20 0 BDADLO CCOC[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000494717501 528973921 /nfs/dbraw/zinc/97/39/21/528973921.db2.gz DQEQYJWAZKBESU-JTQLQIEISA-N 1 2 247.298 1.489 20 0 BDADLO CC[C@H]1CCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000487899864 529221109 /nfs/dbraw/zinc/22/11/09/529221109.db2.gz UBMABCHZCLQHKR-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO CC[C@H]1CCC[N@H+]1Cc1ncnn1CC(F)F ZINC000487899864 529221111 /nfs/dbraw/zinc/22/11/11/529221111.db2.gz UBMABCHZCLQHKR-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO CC[C@@H]1CCN1C(=O)/C=C\c1[nH+]ccn1CC ZINC000492853614 529328235 /nfs/dbraw/zinc/32/82/35/529328235.db2.gz ONYXRMOWVONDTI-ISALQUGTSA-N 1 2 233.315 1.927 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000336061815 534940167 /nfs/dbraw/zinc/94/01/67/534940167.db2.gz JRYIATRFXUYQET-INIZCTEOSA-N 1 2 238.356 1.425 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1Cc1ccncc1 ZINC000336061815 534940171 /nfs/dbraw/zinc/94/01/71/534940171.db2.gz JRYIATRFXUYQET-INIZCTEOSA-N 1 2 238.356 1.425 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC000335937779 534940548 /nfs/dbraw/zinc/94/05/48/534940548.db2.gz OXYBLZJPNHKYNG-ZBEGNZNMSA-N 1 2 245.388 1.398 20 0 BDADLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@@H]1CCCCO1 ZINC000335937779 534940553 /nfs/dbraw/zinc/94/05/53/534940553.db2.gz OXYBLZJPNHKYNG-ZBEGNZNMSA-N 1 2 245.388 1.398 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000335595095 534984348 /nfs/dbraw/zinc/98/43/48/534984348.db2.gz NZPSXVZKRWHSST-NSHDSACASA-N 1 2 242.269 1.831 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)C[C@@H]21 ZINC000263239886 535039310 /nfs/dbraw/zinc/03/93/10/535039310.db2.gz OMEJBIODZYFEPT-YIZRAAEISA-N 1 2 244.285 1.098 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178822762 535150900 /nfs/dbraw/zinc/15/09/00/535150900.db2.gz WUFFMSOYFXAYDP-NWDGAFQWSA-N 1 2 249.358 1.854 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334376144 535199266 /nfs/dbraw/zinc/19/92/66/535199266.db2.gz VIBGDMGMFJKVIG-NWDGAFQWSA-N 1 2 247.342 1.702 20 0 BDADLO CCC1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263197822 535292303 /nfs/dbraw/zinc/29/23/03/535292303.db2.gz IQVNQYVGLYYPIQ-MRVPVSSYSA-N 1 2 232.274 1.290 20 0 BDADLO CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301236188 535327508 /nfs/dbraw/zinc/32/75/08/535327508.db2.gz LVFNGDFZKGAGJE-NSHDSACASA-N 1 2 248.330 1.280 20 0 BDADLO CCOCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000140725026 535497539 /nfs/dbraw/zinc/49/75/39/535497539.db2.gz WNIOHAFGIKENFO-SNVBAGLBSA-N 1 2 239.319 1.794 20 0 BDADLO CCOC(=O)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054937337 535526086 /nfs/dbraw/zinc/52/60/86/535526086.db2.gz YMWJUULDNUICCU-LLVKDONJSA-N 1 2 249.314 1.565 20 0 BDADLO CCOC(=O)[C@H](CC)[NH+]1CCSCC1 ZINC000077901402 535646618 /nfs/dbraw/zinc/64/66/18/535646618.db2.gz SPWWVQGEXYWMEH-VIFPVBQESA-N 1 2 217.334 1.377 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cncc(F)c1 ZINC000334165880 535836525 /nfs/dbraw/zinc/83/65/25/535836525.db2.gz AJDJPUCWBSPNNT-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cncc(F)c1 ZINC000334165880 535836528 /nfs/dbraw/zinc/83/65/28/535836528.db2.gz AJDJPUCWBSPNNT-GFCCVEGCSA-N 1 2 224.279 1.832 20 0 BDADLO CCc1ocnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000352057378 535932322 /nfs/dbraw/zinc/93/23/22/535932322.db2.gz BBCDXYORUCZART-UHFFFAOYSA-N 1 2 234.259 1.232 20 0 BDADLO CC[C@@]1(C)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000275996798 536059418 /nfs/dbraw/zinc/05/94/18/536059418.db2.gz GIFZQTXMQXWUBX-LBPRGKRZSA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N1CCCC1 ZINC000334426880 536062910 /nfs/dbraw/zinc/06/29/10/536062910.db2.gz ZIUHWQKLNQIJTN-ZDUSSCGKSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N1CCCC1 ZINC000334426880 536062917 /nfs/dbraw/zinc/06/29/17/536062917.db2.gz ZIUHWQKLNQIJTN-ZDUSSCGKSA-N 1 2 240.347 1.110 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCO[C@H]1C ZINC000335901290 536085789 /nfs/dbraw/zinc/08/57/89/536085789.db2.gz QJWKRBZSGYZNAB-ONGXEEELSA-N 1 2 234.299 1.429 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262393910 536098189 /nfs/dbraw/zinc/09/81/89/536098189.db2.gz NDJYPFUJXKFSSW-VHSXEESVSA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262393910 536098191 /nfs/dbraw/zinc/09/81/91/536098191.db2.gz NDJYPFUJXKFSSW-VHSXEESVSA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000262300291 536099233 /nfs/dbraw/zinc/09/92/33/536099233.db2.gz AHZQKODVBKSLAK-LLVKDONJSA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@H](C(=O)[O-])[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000262300291 536099238 /nfs/dbraw/zinc/09/92/38/536099238.db2.gz AHZQKODVBKSLAK-LLVKDONJSA-N 1 2 237.303 1.452 20 0 BDADLO CCc1nc(N2CCn3cncc3C2)cc(C)[nH+]1 ZINC000290813195 536125082 /nfs/dbraw/zinc/12/50/82/536125082.db2.gz ZWLKGKYWSMBIQS-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)cn1 ZINC000347781657 536177197 /nfs/dbraw/zinc/17/71/97/536177197.db2.gz MCHSISNYWBERPU-ZDUSSCGKSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC)cn1 ZINC000347781657 536177201 /nfs/dbraw/zinc/17/72/01/536177201.db2.gz MCHSISNYWBERPU-ZDUSSCGKSA-N 1 2 247.342 1.354 20 0 BDADLO COCCCN(C)Cc1[nH+]cc(C)n1C ZINC000342789655 536513001 /nfs/dbraw/zinc/51/30/01/536513001.db2.gz LHFNPFNBIMSETQ-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CO[C@H]1C[N@H+](Cc2nnc(C)s2)CC[C@@H]1C ZINC000342722661 536767863 /nfs/dbraw/zinc/76/78/63/536767863.db2.gz OIEUGTIJNCVMIR-WPRPVWTQSA-N 1 2 241.360 1.703 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2nnc(C)s2)CC[C@@H]1C ZINC000342722661 536767869 /nfs/dbraw/zinc/76/78/69/536767869.db2.gz OIEUGTIJNCVMIR-WPRPVWTQSA-N 1 2 241.360 1.703 20 0 BDADLO COCCc1nc(C[NH+]2C[C@H](C)[C@@H](C)C2)no1 ZINC000351512526 536835748 /nfs/dbraw/zinc/83/57/48/536835748.db2.gz GFNUTRQKKRELBI-UWVGGRQHSA-N 1 2 239.319 1.346 20 0 BDADLO COc1ccc(N[C@H](C)[C@@H]2CCOC2)[nH+]c1 ZINC000225835884 538114335 /nfs/dbraw/zinc/11/43/35/538114335.db2.gz OWAGSZJRZOUSRR-NXEZZACHSA-N 1 2 222.288 1.927 20 0 BDADLO COc1ccc(F)cc1NC(=O)Cn1cc[nH+]c1 ZINC000092457489 566313332 /nfs/dbraw/zinc/31/33/32/566313332.db2.gz MQIUSMGJUBMLGF-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1noc(C2CC2)n1 ZINC000330206027 566341360 /nfs/dbraw/zinc/34/13/60/566341360.db2.gz CXFWPWUCPUHLKQ-PELKAZGASA-N 1 2 237.303 1.604 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H]1COC(C)(C)O1 ZINC000851749862 582966108 /nfs/dbraw/zinc/96/61/08/582966108.db2.gz OQJHRDHIABKYPC-SECBINFHSA-N 1 2 245.319 1.069 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(NC)nc[nH+]1 ZINC000893230804 583075419 /nfs/dbraw/zinc/07/54/19/583075419.db2.gz QKWIETBOPAPWQZ-TYRPZCRBSA-N 1 2 222.292 1.257 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)c(C)o1 ZINC000840979512 583214864 /nfs/dbraw/zinc/21/48/64/583214864.db2.gz SQGHLWSMHLIQEV-GXFFZTMASA-N 1 2 239.315 1.478 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)c(C)o1 ZINC000840979512 583214865 /nfs/dbraw/zinc/21/48/65/583214865.db2.gz SQGHLWSMHLIQEV-GXFFZTMASA-N 1 2 239.315 1.478 20 0 BDADLO C[C@H]1CSC[C@@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000893825455 583229694 /nfs/dbraw/zinc/22/96/94/583229694.db2.gz FFCXLHRHTCLELG-IUCAKERBSA-N 1 2 238.360 1.706 20 0 BDADLO C[C@H]1CSC[C@@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000893825455 583229699 /nfs/dbraw/zinc/22/96/99/583229699.db2.gz FFCXLHRHTCLELG-IUCAKERBSA-N 1 2 238.360 1.706 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893916911 583247363 /nfs/dbraw/zinc/24/73/63/583247363.db2.gz QXOIOSWLCTXLRO-BBBLOLIVSA-N 1 2 224.304 1.970 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000894023817 583280855 /nfs/dbraw/zinc/28/08/55/583280855.db2.gz BNTVIHMCIQSZOG-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1coc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000894023817 583280859 /nfs/dbraw/zinc/28/08/59/583280859.db2.gz BNTVIHMCIQSZOG-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1coc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000894096588 583300933 /nfs/dbraw/zinc/30/09/33/583300933.db2.gz WDLQADMTHTWGJU-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1coc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000894096588 583300937 /nfs/dbraw/zinc/30/09/37/583300937.db2.gz WDLQADMTHTWGJU-PWSUYJOCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1nn(CC2CC2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852962326 588714849 /nfs/dbraw/zinc/71/48/49/588714849.db2.gz FFCBTMBLORBOEE-CYBMUJFWSA-N 1 2 249.358 1.913 20 0 BDADLO Cc1nn(CC2CC2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852962326 588714850 /nfs/dbraw/zinc/71/48/50/588714850.db2.gz FFCBTMBLORBOEE-CYBMUJFWSA-N 1 2 249.358 1.913 20 0 BDADLO C[C@H](CC(=O)O[C@@H](C)c1nc[nH]n1)n1cc[nH+]c1 ZINC000853226032 588727394 /nfs/dbraw/zinc/72/73/94/588727394.db2.gz UMFSXHLBJICYJS-BDAKNGLRSA-N 1 2 249.274 1.257 20 0 BDADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1nc[nH]n1 ZINC000853226033 588727506 /nfs/dbraw/zinc/72/75/06/588727506.db2.gz UMFSXHLBJICYJS-DTWKUNHWSA-N 1 2 249.274 1.257 20 0 BDADLO CC[N@H+](CC(C)C)Cn1nc(C)oc1=O ZINC000853490897 588745854 /nfs/dbraw/zinc/74/58/54/588745854.db2.gz IGILLQBNFIVSSN-UHFFFAOYSA-N 1 2 213.281 1.080 20 0 BDADLO CC[N@@H+](CC(C)C)Cn1nc(C)oc1=O ZINC000853490897 588745855 /nfs/dbraw/zinc/74/58/55/588745855.db2.gz IGILLQBNFIVSSN-UHFFFAOYSA-N 1 2 213.281 1.080 20 0 BDADLO CC[C@@H](C)C[N@H+](C)Cn1nc(C)oc1=O ZINC000853494615 588746034 /nfs/dbraw/zinc/74/60/34/588746034.db2.gz NFTQERVSGHCWAN-MRVPVSSYSA-N 1 2 213.281 1.080 20 0 BDADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(C)oc1=O ZINC000853494615 588746035 /nfs/dbraw/zinc/74/60/35/588746035.db2.gz NFTQERVSGHCWAN-MRVPVSSYSA-N 1 2 213.281 1.080 20 0 BDADLO Cn1cnn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853626698 588750789 /nfs/dbraw/zinc/75/07/89/588750789.db2.gz DXWAUBJCYLFEAB-SECBINFHSA-N 1 2 240.376 1.886 20 0 BDADLO Cn1cnn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853626698 588750790 /nfs/dbraw/zinc/75/07/90/588750790.db2.gz DXWAUBJCYLFEAB-SECBINFHSA-N 1 2 240.376 1.886 20 0 BDADLO Cc1nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c(=O)o1 ZINC000853502321 588746381 /nfs/dbraw/zinc/74/63/81/588746381.db2.gz XGFRKOXQEMMPCX-MRVPVSSYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1nn(C[N@H+](C)[C@H](C)C2(C)CC2)c(=O)o1 ZINC000853502321 588746382 /nfs/dbraw/zinc/74/63/82/588746382.db2.gz XGFRKOXQEMMPCX-MRVPVSSYSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1cc(N[C@H]2CCn3ccnc32)nc[nH+]1 ZINC000853650441 588752308 /nfs/dbraw/zinc/75/23/08/588752308.db2.gz GHNBTTZZMSLOOT-VIFPVBQESA-N 1 2 215.260 1.538 20 0 BDADLO Cc1nonc1CO[NH+]=C(N)Cc1cccnc1 ZINC000853679094 588755261 /nfs/dbraw/zinc/75/52/61/588755261.db2.gz SBAPQXSXYYQQOX-UHFFFAOYSA-N 1 2 247.258 1.014 20 0 BDADLO Cc1cc(NC[C@H]2COCO2)nc(C2CC2)[nH+]1 ZINC000853687611 588756367 /nfs/dbraw/zinc/75/63/67/588756367.db2.gz XMRKEZRXPQBCAP-JTQLQIEISA-N 1 2 235.287 1.447 20 0 BDADLO NC(CCO)=[NH+]OCc1ccsc1Cl ZINC000853687353 588756432 /nfs/dbraw/zinc/75/64/32/588756432.db2.gz PASWJPZJZVWFDY-UHFFFAOYSA-N 1 2 234.708 1.782 20 0 BDADLO NC(=[NH+]OCc1cncs1)[C@@H]1CCCO1 ZINC000853696718 588757430 /nfs/dbraw/zinc/75/74/30/588757430.db2.gz AJSAZYKPNDNIQW-QMMMGPOBSA-N 1 2 227.289 1.321 20 0 BDADLO COc1ccc(N[C@@H]2C[C@@H](C)n3ncnc32)[nH+]c1 ZINC000853771192 588762639 /nfs/dbraw/zinc/76/26/39/588762639.db2.gz WDJWYHNZUXIYNF-PSASIEDQSA-N 1 2 245.286 1.800 20 0 BDADLO COc1c(C)[nH+]cnc1NCc1ncccn1 ZINC000853898635 588767778 /nfs/dbraw/zinc/76/77/78/588767778.db2.gz GMTBNAUQZPYDPB-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BDADLO CC1(C)[C@H](O)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000853898561 588767896 /nfs/dbraw/zinc/76/78/96/588767896.db2.gz KGNWMZFJPAFHTN-SNVBAGLBSA-N 1 2 233.315 1.704 20 0 BDADLO CC[NH2+]Cc1noc(C[C@H](C)[C@H]2CCCO2)n1 ZINC000854132187 588775765 /nfs/dbraw/zinc/77/57/65/588775765.db2.gz OKMIMNCHTRBFAS-VHSXEESVSA-N 1 2 239.319 1.537 20 0 BDADLO CC[NH2+]Cc1noc(CCCc2cccnc2)n1 ZINC000854132248 588775804 /nfs/dbraw/zinc/77/58/04/588775804.db2.gz QRLVFQHSARLYEF-UHFFFAOYSA-N 1 2 246.314 1.749 20 0 BDADLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000854251046 588782076 /nfs/dbraw/zinc/78/20/76/588782076.db2.gz KLFCMSVHXYTIQX-NSHDSACASA-N 1 2 243.310 1.872 20 0 BDADLO CCSCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854343213 588784837 /nfs/dbraw/zinc/78/48/37/588784837.db2.gz CWXLHAXNCSJUKB-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000854394095 588785700 /nfs/dbraw/zinc/78/57/00/588785700.db2.gz MNMXJEBEDALARJ-QWRGUYRKSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000854394097 588785727 /nfs/dbraw/zinc/78/57/27/588785727.db2.gz MNMXJEBEDALARJ-WDEREUQCSA-N 1 2 249.314 1.122 20 0 BDADLO C[C@@H](Cc1ccco1)C(=O)NCc1c[nH+]cn1C ZINC000854499122 588789445 /nfs/dbraw/zinc/78/94/45/588789445.db2.gz SWJNZCSKIDTMTR-JTQLQIEISA-N 1 2 247.298 1.508 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC2(CCC2)CC1 ZINC000854438249 588787084 /nfs/dbraw/zinc/78/70/84/588787084.db2.gz JRHCMCKYXDAYNK-UHFFFAOYSA-N 1 2 233.315 1.745 20 0 BDADLO CCC/C=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594196 588796233 /nfs/dbraw/zinc/79/62/33/588796233.db2.gz GRDNMNCRZHNLLU-VUHVRTRXSA-N 1 2 207.277 1.943 20 0 BDADLO CCCC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594196 588796234 /nfs/dbraw/zinc/79/62/34/588796234.db2.gz GRDNMNCRZHNLLU-VUHVRTRXSA-N 1 2 207.277 1.943 20 0 BDADLO CCCCC[C@H](O)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595014 588796501 /nfs/dbraw/zinc/79/65/01/588796501.db2.gz UUODHYZFIDJSFH-ZJUUUORDSA-N 1 2 239.319 1.528 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854498649 588789602 /nfs/dbraw/zinc/78/96/02/588789602.db2.gz IQGBARRDQRSCQF-JLLWLGSASA-N 1 2 233.315 1.473 20 0 BDADLO CCC1(CC)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854657844 588799664 /nfs/dbraw/zinc/79/96/64/588799664.db2.gz GUNCTSAJHSNHPJ-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(C2CCCCC2)C1 ZINC000854668048 588799903 /nfs/dbraw/zinc/79/99/03/588799903.db2.gz RUVIYGNPMFOXOD-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc2c(cn1)CCC2 ZINC000854666986 588800070 /nfs/dbraw/zinc/80/00/70/588800070.db2.gz IQAGSTVYXGHRBG-UHFFFAOYSA-N 1 2 242.282 1.475 20 0 BDADLO CSC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000854684773 588801122 /nfs/dbraw/zinc/80/11/22/588801122.db2.gz DZTNXHOOWKZEME-MRVPVSSYSA-N 1 2 239.344 1.586 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000854816498 588811917 /nfs/dbraw/zinc/81/19/17/588811917.db2.gz IVSBFJYSTGJRMU-BDAKNGLRSA-N 1 2 207.277 1.115 20 0 BDADLO CC[N@H+](C/C=C/Cl)[C@@H](C)CS(C)(=O)=O ZINC000112732179 588814783 /nfs/dbraw/zinc/81/47/83/588814783.db2.gz IDLFSLFQTVYNHH-CYNONHLPSA-N 1 2 239.768 1.494 20 0 BDADLO CC[N@@H+](C/C=C/Cl)[C@@H](C)CS(C)(=O)=O ZINC000112732179 588814784 /nfs/dbraw/zinc/81/47/84/588814784.db2.gz IDLFSLFQTVYNHH-CYNONHLPSA-N 1 2 239.768 1.494 20 0 BDADLO C[C@H](Cc1ccccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855050571 588821754 /nfs/dbraw/zinc/82/17/54/588821754.db2.gz ADSKVLQGHUTTIV-SNVBAGLBSA-N 1 2 244.298 1.095 20 0 BDADLO CC(C)=C(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134752 588822584 /nfs/dbraw/zinc/82/25/84/588822584.db2.gz ZBXZJINDKUOXNC-UHFFFAOYSA-N 1 2 207.277 1.724 20 0 BDADLO CC(C)=C(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134752 588822585 /nfs/dbraw/zinc/82/25/85/588822585.db2.gz ZBXZJINDKUOXNC-UHFFFAOYSA-N 1 2 207.277 1.724 20 0 BDADLO CC/C(C)=C/C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134830 588823010 /nfs/dbraw/zinc/82/30/10/588823010.db2.gz ATKJRBMFEBVLPZ-WEVVVXLNSA-N 1 2 207.277 1.724 20 0 BDADLO CC/C(C)=C/C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134830 588823011 /nfs/dbraw/zinc/82/30/11/588823011.db2.gz ATKJRBMFEBVLPZ-WEVVVXLNSA-N 1 2 207.277 1.724 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC000855146136 588823069 /nfs/dbraw/zinc/82/30/69/588823069.db2.gz TXILMUPKFVFIQU-SECBINFHSA-N 1 2 209.293 1.599 20 0 BDADLO C/C=C/C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000855340939 588828292 /nfs/dbraw/zinc/82/82/92/588828292.db2.gz VLTPPQAUYYYUPQ-QHHAFSJGSA-N 1 2 245.326 1.874 20 0 BDADLO COc1nccnc1C[NH2+][C@H](C)c1cccnc1 ZINC000294326824 582465308 /nfs/dbraw/zinc/46/53/08/582465308.db2.gz XGNWPBJXFDUDQU-SNVBAGLBSA-N 1 2 244.298 1.731 20 0 BDADLO CCC(C)(C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000855365309 588829425 /nfs/dbraw/zinc/82/94/25/588829425.db2.gz NCLJAMKKRIHCQE-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO CCCCC(=O)OCC[NH+]1CCOCC1 ZINC000200927346 582489759 /nfs/dbraw/zinc/48/97/59/582489759.db2.gz DSXAJVIMCDWOOD-UHFFFAOYSA-N 1 2 215.293 1.052 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000855409866 588831916 /nfs/dbraw/zinc/83/19/16/588831916.db2.gz GWZVNXMUBAFIID-XAPDAFRNSA-N 1 2 240.347 1.178 20 0 BDADLO C/C=C(/C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000855409866 588831917 /nfs/dbraw/zinc/83/19/17/588831917.db2.gz GWZVNXMUBAFIID-XAPDAFRNSA-N 1 2 240.347 1.178 20 0 BDADLO CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)OC ZINC000812369391 582512068 /nfs/dbraw/zinc/51/20/68/582512068.db2.gz NJPVRMKEGOIQNC-SNVBAGLBSA-N 1 2 247.298 1.489 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1C=CCC1 ZINC000855425975 588833833 /nfs/dbraw/zinc/83/38/33/588833833.db2.gz QBPNSNLVYDCBHI-JTQLQIEISA-N 1 2 205.261 1.108 20 0 BDADLO COCC[C@H]1COCC[N@@H+]1Cc1ccoc1 ZINC000812786094 582565081 /nfs/dbraw/zinc/56/50/81/582565081.db2.gz BVGGWYPLXLWMOP-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO COCC[C@H]1COCC[N@H+]1Cc1ccoc1 ZINC000812786094 582565083 /nfs/dbraw/zinc/56/50/83/582565083.db2.gz BVGGWYPLXLWMOP-LBPRGKRZSA-N 1 2 225.288 1.517 20 0 BDADLO CCc1nnc(NCc2c[nH+]cn2C)nc1CC ZINC000291181636 582578772 /nfs/dbraw/zinc/57/87/72/582578772.db2.gz RXQZMOZICWZVRY-UHFFFAOYSA-N 1 2 246.318 1.342 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000844463003 582593088 /nfs/dbraw/zinc/59/30/88/582593088.db2.gz PVEADJRUTWQGFW-APQOSEDMSA-N 1 2 228.246 1.371 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC000844463003 582593089 /nfs/dbraw/zinc/59/30/89/582593089.db2.gz PVEADJRUTWQGFW-APQOSEDMSA-N 1 2 228.246 1.371 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1CCc2c[nH+]cn2C1 ZINC000891201421 582627402 /nfs/dbraw/zinc/62/74/02/582627402.db2.gz WYGPNMKJVVFHBB-RZXPJHQTSA-N 1 2 239.706 1.314 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/Cl ZINC000891201241 582627418 /nfs/dbraw/zinc/62/74/18/582627418.db2.gz WLBZYCQUAWGDEZ-KHVQUVQLSA-N 1 2 239.706 1.392 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](C)CO1 ZINC000888976942 582639893 /nfs/dbraw/zinc/63/98/93/582639893.db2.gz IYDTZBDHBYVHIN-CABZTGNLSA-N 1 2 234.299 1.429 20 0 BDADLO CC[C@H](CO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891413564 582680585 /nfs/dbraw/zinc/68/05/85/582680585.db2.gz VUONQNLIRFBWLO-RKDXNWHRSA-N 1 2 210.277 1.318 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(OC)cc1C ZINC000891639673 582704867 /nfs/dbraw/zinc/70/48/67/582704867.db2.gz VEYYEUAAIPQAPV-UHFFFAOYSA-N 1 2 237.299 1.608 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(OC)cc1C ZINC000891639673 582704870 /nfs/dbraw/zinc/70/48/70/582704870.db2.gz VEYYEUAAIPQAPV-UHFFFAOYSA-N 1 2 237.299 1.608 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000891783216 582720091 /nfs/dbraw/zinc/72/00/91/582720091.db2.gz ASSAQSJPHLTHRX-WDEREUQCSA-N 1 2 246.314 1.832 20 0 BDADLO Cn1ncc(C[N@@H+]2CCOCC2(C)C)c1C1CC1 ZINC000891781406 582720648 /nfs/dbraw/zinc/72/06/48/582720648.db2.gz IOJJTLLKIIMUPZ-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO Cn1ncc(C[N@H+]2CCOCC2(C)C)c1C1CC1 ZINC000891781406 582720649 /nfs/dbraw/zinc/72/06/49/582720649.db2.gz IOJJTLLKIIMUPZ-UHFFFAOYSA-N 1 2 249.358 1.908 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1nccn2ccnc12 ZINC000891784117 582721293 /nfs/dbraw/zinc/72/12/93/582721293.db2.gz SKBQYXGDHYUZNV-SNVBAGLBSA-N 1 2 242.286 1.426 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)Cc1cnccn1 ZINC000891823194 582726361 /nfs/dbraw/zinc/72/63/61/582726361.db2.gz MGSWSDTUGNOCLO-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)Cc1cnccn1 ZINC000891823194 582726363 /nfs/dbraw/zinc/72/63/63/582726363.db2.gz MGSWSDTUGNOCLO-UHFFFAOYSA-N 1 2 246.289 1.951 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](CCF)C1 ZINC000855828545 588849728 /nfs/dbraw/zinc/84/97/28/588849728.db2.gz NKTOZTZVALZRDR-SNVBAGLBSA-N 1 2 239.294 1.550 20 0 BDADLO C[C@H]1OCCN(Cc2[nH+]ccn2C2CC2)[C@H]1C ZINC000892050176 582776407 /nfs/dbraw/zinc/77/64/07/582776407.db2.gz WYPWWWPGIRRNPG-WDEREUQCSA-N 1 2 235.331 1.827 20 0 BDADLO Cn1nc2c(c1C[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000892055789 582777907 /nfs/dbraw/zinc/77/79/07/582777907.db2.gz WKLNWJFOYNXWBE-PHIMTYICSA-N 1 2 247.342 1.272 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000892055789 582777908 /nfs/dbraw/zinc/77/79/08/582777908.db2.gz WKLNWJFOYNXWBE-PHIMTYICSA-N 1 2 247.342 1.272 20 0 BDADLO CC(C)C[C@H](O)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892132091 582797197 /nfs/dbraw/zinc/79/71/97/582797197.db2.gz YBCQBNWNNOELRY-MNOVXSKESA-N 1 2 238.331 1.954 20 0 BDADLO C[C@H](O)c1cccc(NCC2CCOCC2)[nH+]1 ZINC000892172476 582804975 /nfs/dbraw/zinc/80/49/75/582804975.db2.gz BFSZIQLMCDDBEU-JTQLQIEISA-N 1 2 236.315 1.973 20 0 BDADLO C[C@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000725778315 582848598 /nfs/dbraw/zinc/84/85/98/582848598.db2.gz LODAZEOSUXRDHY-QMMMGPOBSA-N 1 2 212.322 1.250 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000725778315 582848599 /nfs/dbraw/zinc/84/85/99/582848599.db2.gz LODAZEOSUXRDHY-QMMMGPOBSA-N 1 2 212.322 1.250 20 0 BDADLO CCC[C@H](CC)NC(=O)NCc1cn(C)c[nH+]1 ZINC000892444144 582889172 /nfs/dbraw/zinc/88/91/72/582889172.db2.gz OMMGYFALCQHTEY-JTQLQIEISA-N 1 2 238.335 1.798 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892502608 582900010 /nfs/dbraw/zinc/90/00/10/582900010.db2.gz ULZDARPEYTXHCO-VHSXEESVSA-N 1 2 238.335 1.362 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892502608 582900011 /nfs/dbraw/zinc/90/00/11/582900011.db2.gz ULZDARPEYTXHCO-VHSXEESVSA-N 1 2 238.335 1.362 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@]2(C)CCOC2)[nH+]1 ZINC000892510329 582902073 /nfs/dbraw/zinc/90/20/73/582902073.db2.gz KMEOWGFHDDCVTN-MFKMUULPSA-N 1 2 236.315 1.973 20 0 BDADLO CCN(CC(C)(C)O)c1cc(N(C)C)[nH+]cn1 ZINC000892530876 582907081 /nfs/dbraw/zinc/90/70/81/582907081.db2.gz ACYHNSXWIDKQHD-UHFFFAOYSA-N 1 2 238.335 1.140 20 0 BDADLO CCN(CC(C)(C)O)c1cc(N(C)C)nc[nH+]1 ZINC000892530876 582907083 /nfs/dbraw/zinc/90/70/83/582907083.db2.gz ACYHNSXWIDKQHD-UHFFFAOYSA-N 1 2 238.335 1.140 20 0 BDADLO CC(C)[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000856123909 588861459 /nfs/dbraw/zinc/86/14/59/588861459.db2.gz NTVBVANRGHTCDE-LBPRGKRZSA-N 1 2 221.304 1.503 20 0 BDADLO CC(C)[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000856123907 588861551 /nfs/dbraw/zinc/86/15/51/588861551.db2.gz NTVBVANRGHTCDE-GFCCVEGCSA-N 1 2 221.304 1.503 20 0 BDADLO CCc1cc(N[C@H](CO)C2CC2)nc(CC)[nH+]1 ZINC000892541819 582908982 /nfs/dbraw/zinc/90/89/82/582908982.db2.gz GYWUFCWEWXDYTH-LLVKDONJSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H](CCO)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892648985 582938644 /nfs/dbraw/zinc/93/86/44/582938644.db2.gz IHRKVBLLMSUMSN-UWVGGRQHSA-N 1 2 224.304 1.708 20 0 BDADLO CC(C)CC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000856192301 588864023 /nfs/dbraw/zinc/86/40/23/588864023.db2.gz WGNINSDBMOJLBQ-UHFFFAOYSA-N 1 2 221.304 1.647 20 0 BDADLO CCc1cc(N(C)CC[C@@H](C)O)nc(CC)[nH+]1 ZINC000892686394 582955177 /nfs/dbraw/zinc/95/51/77/582955177.db2.gz KIHAVIRRCBQSAF-SNVBAGLBSA-N 1 2 237.347 1.809 20 0 BDADLO C[C@H](NC(=O)c1ccc(C=O)[nH]1)c1[nH+]ccn1C ZINC000856276957 588866517 /nfs/dbraw/zinc/86/65/17/588866517.db2.gz FAIVMGIRQYZLMS-QMMMGPOBSA-N 1 2 246.270 1.052 20 0 BDADLO C[C@H]1CCCN1c1cc(N(C)C)[nH+]cn1 ZINC000892737852 582973294 /nfs/dbraw/zinc/97/32/94/582973294.db2.gz MJJQNEKDTJGUPB-VIFPVBQESA-N 1 2 206.293 1.531 20 0 BDADLO C[C@H]1CCCN1c1cc(N(C)C)nc[nH+]1 ZINC000892737852 582973295 /nfs/dbraw/zinc/97/32/95/582973295.db2.gz MJJQNEKDTJGUPB-VIFPVBQESA-N 1 2 206.293 1.531 20 0 BDADLO C[C@H](NC(=O)C(C)(C)F)c1[nH+]ccn1C ZINC000856281503 588866819 /nfs/dbraw/zinc/86/68/19/588866819.db2.gz PMQLORMWRFVWMP-ZETCQYMHSA-N 1 2 213.256 1.345 20 0 BDADLO C[C@@H](NC(=O)C1(C(F)F)CC1)c1[nH+]ccn1C ZINC000856279317 588866831 /nfs/dbraw/zinc/86/68/31/588866831.db2.gz FRKXEFRNIGCZOG-SSDOTTSWSA-N 1 2 243.257 1.643 20 0 BDADLO CO[C@@H](CNc1cc(N(C)C)nc[nH+]1)C(C)C ZINC000892752167 582975648 /nfs/dbraw/zinc/97/56/48/582975648.db2.gz BDJMQVSYUQTQBI-JTQLQIEISA-N 1 2 238.335 1.626 20 0 BDADLO CO[C@@H](CNc1cc(N(C)C)[nH+]cn1)C(C)C ZINC000892752167 582975649 /nfs/dbraw/zinc/97/56/49/582975649.db2.gz BDJMQVSYUQTQBI-JTQLQIEISA-N 1 2 238.335 1.626 20 0 BDADLO C[C@H](O)c1cccc(NCc2ccon2)[nH+]1 ZINC000892784400 582982006 /nfs/dbraw/zinc/98/20/06/582982006.db2.gz IYVXQAUZWPPXBX-QMMMGPOBSA-N 1 2 219.244 1.735 20 0 BDADLO CCO/C=C/C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856282647 588867259 /nfs/dbraw/zinc/86/72/59/588867259.db2.gz YGVHILNNRAQBPW-WHXYTISESA-N 1 2 223.276 1.148 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCSC2)[nH+]cn1 ZINC000892812968 582987846 /nfs/dbraw/zinc/98/78/46/582987846.db2.gz ONZQFIGLTLPHDS-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO CN(C)c1cc(N[C@@H]2CCCSC2)nc[nH+]1 ZINC000892812968 582987847 /nfs/dbraw/zinc/98/78/47/582987847.db2.gz ONZQFIGLTLPHDS-SECBINFHSA-N 1 2 238.360 1.850 20 0 BDADLO CN(C)c1cc(N(C)C[C@@H]2CCOC2)nc[nH+]1 ZINC000892820261 582988345 /nfs/dbraw/zinc/98/83/45/582988345.db2.gz DHFBAORIGLDPOT-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO CN(C)c1cc(N(C)C[C@@H]2CCOC2)[nH+]cn1 ZINC000892820261 582988347 /nfs/dbraw/zinc/98/83/47/582988347.db2.gz DHFBAORIGLDPOT-JTQLQIEISA-N 1 2 236.319 1.015 20 0 BDADLO CNc1cc(N[C@@H](C)Cc2ccncc2)nc[nH+]1 ZINC000892832031 582990001 /nfs/dbraw/zinc/99/00/01/582990001.db2.gz LZRWYLOVWLHIJU-JTQLQIEISA-N 1 2 243.314 1.956 20 0 BDADLO CNc1cc(N[C@@H](C)Cc2ccncc2)[nH+]cn1 ZINC000892832031 582990004 /nfs/dbraw/zinc/99/00/04/582990004.db2.gz LZRWYLOVWLHIJU-JTQLQIEISA-N 1 2 243.314 1.956 20 0 BDADLO O=C(COC1CC1)OCc1cccc2[nH+]ccn21 ZINC000892867683 582999849 /nfs/dbraw/zinc/99/98/49/582999849.db2.gz HSTKRNMHYMREOK-UHFFFAOYSA-N 1 2 246.266 1.557 20 0 BDADLO Cc1c(CNc2cccc([C@H](C)O)[nH+]2)cnn1C ZINC000893003711 583028582 /nfs/dbraw/zinc/02/85/82/583028582.db2.gz BVRPMVMCEKXMHN-JTQLQIEISA-N 1 2 246.314 1.789 20 0 BDADLO c1[nH+]cn2ccnc(N3CC[C@@H](C4CC4)C3)c12 ZINC000893045908 583036981 /nfs/dbraw/zinc/03/69/81/583036981.db2.gz AKIPDRZBWJTJPN-LLVKDONJSA-N 1 2 228.299 1.966 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H](C)C[S@](C)=O)[nH+]1 ZINC000893139438 583056429 /nfs/dbraw/zinc/05/64/29/583056429.db2.gz MTRMRFFFRLBPFI-LGZSNQIQSA-N 1 2 242.344 1.314 20 0 BDADLO CN(CC1(O)CCC1)c1nccn2c[nH+]cc12 ZINC000893169210 583063163 /nfs/dbraw/zinc/06/31/63/583063163.db2.gz YKRRPSQBFOWAQN-UHFFFAOYSA-N 1 2 232.287 1.081 20 0 BDADLO CNc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)[nH+]cn1 ZINC000893194264 583068876 /nfs/dbraw/zinc/06/88/76/583068876.db2.gz FEZJSYPYRNYPRO-WDEREUQCSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@H]2CCO[C@H](C3CC3)C2)[nH+]cn1 ZINC000893194263 583069383 /nfs/dbraw/zinc/06/93/83/583069383.db2.gz FEZJSYPYRNYPRO-QWRGUYRKSA-N 1 2 248.330 1.888 20 0 BDADLO C/C=C\C[C@@H](CO)Nc1cc(NC)[nH+]cn1 ZINC000893230804 583075417 /nfs/dbraw/zinc/07/54/17/583075417.db2.gz QKWIETBOPAPWQZ-TYRPZCRBSA-N 1 2 222.292 1.257 20 0 BDADLO O=C(NOCC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000856343891 588868522 /nfs/dbraw/zinc/86/85/22/588868522.db2.gz DBZANCXOJGNVAW-NSHDSACASA-N 1 2 249.314 1.293 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000856346908 588869049 /nfs/dbraw/zinc/86/90/49/588869049.db2.gz UPOVMGIGMWDNJH-LLVKDONJSA-N 1 2 249.314 1.293 20 0 BDADLO Cn1cc(C[NH2+]Cc2cncn2C)c(Cl)n1 ZINC000856787829 588877824 /nfs/dbraw/zinc/87/78/24/588877824.db2.gz FWPZTYMOYZZQQJ-UHFFFAOYSA-N 1 2 239.710 1.097 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+]C1(CO)CCCCC1 ZINC000776590651 583124928 /nfs/dbraw/zinc/12/49/28/583124928.db2.gz JCOLDSNYAUPNCN-NSHDSACASA-N 1 2 243.347 1.613 20 0 BDADLO OCCn1ccc(NCc2[nH+]ccn2C2CC2)n1 ZINC000893363896 583125463 /nfs/dbraw/zinc/12/54/63/583125463.db2.gz PHUBKVSDROVAQP-UHFFFAOYSA-N 1 2 247.302 1.019 20 0 BDADLO CO[C@H](C)[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893409047 583138832 /nfs/dbraw/zinc/13/88/32/583138832.db2.gz QXOIOSWLCTXLRO-IVZWLZJFSA-N 1 2 224.304 1.970 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893409046 583139034 /nfs/dbraw/zinc/13/90/34/583139034.db2.gz QXOIOSWLCTXLRO-GUBZILKMSA-N 1 2 224.304 1.970 20 0 BDADLO CCN(CC(N)=O)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000893437368 583142724 /nfs/dbraw/zinc/14/27/24/583142724.db2.gz RUEDQDMZAUVKKS-UHFFFAOYSA-N 1 2 248.330 1.364 20 0 BDADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1cccn1C ZINC000893515351 583155787 /nfs/dbraw/zinc/15/57/87/583155787.db2.gz FTRWCKDLSAGKAU-LLVKDONJSA-N 1 2 245.282 1.832 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@@H]1C[C@@H]1C ZINC000893520421 583156101 /nfs/dbraw/zinc/15/61/01/583156101.db2.gz XDKDFRSORCKEOT-SFGNSQDASA-N 1 2 220.272 1.836 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1ocnc1C ZINC000893522453 583156992 /nfs/dbraw/zinc/15/69/92/583156992.db2.gz AVMCZISFVIIIRE-VIFPVBQESA-N 1 2 247.254 1.790 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000857040902 588883671 /nfs/dbraw/zinc/88/36/71/588883671.db2.gz KPPOKTKJVKCBNS-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000857040902 588883672 /nfs/dbraw/zinc/88/36/72/588883672.db2.gz KPPOKTKJVKCBNS-CYBMUJFWSA-N 1 2 247.298 1.067 20 0 BDADLO Cc1cc(N(C)CCC(N)=O)nc(C2CCC2)[nH+]1 ZINC000893842531 583230941 /nfs/dbraw/zinc/23/09/41/583230941.db2.gz LTSMTPKIFRERFM-UHFFFAOYSA-N 1 2 248.330 1.364 20 0 BDADLO O=c1[nH]c2ccc(C[NH+]3CCOCC3)cc2[nH]1 ZINC000893863196 583234181 /nfs/dbraw/zinc/23/41/81/583234181.db2.gz CQMDRDVIGILJAL-UHFFFAOYSA-N 1 2 233.271 1.101 20 0 BDADLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)co1 ZINC000893863743 583235011 /nfs/dbraw/zinc/23/50/11/583235011.db2.gz MWRIPNQXXYPMPO-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C)co1 ZINC000893863743 583235014 /nfs/dbraw/zinc/23/50/14/583235014.db2.gz MWRIPNQXXYPMPO-UHFFFAOYSA-N 1 2 238.331 1.888 20 0 BDADLO CC(C)c1c[nH]c(CN2CCO[C@@H](C)C2)[nH+]1 ZINC000893916023 583245522 /nfs/dbraw/zinc/24/55/22/583245522.db2.gz CKDFJBIESDRLPF-JTQLQIEISA-N 1 2 223.320 1.754 20 0 BDADLO Cc1ncoc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000893912335 583245875 /nfs/dbraw/zinc/24/58/75/583245875.db2.gz FAJNYAKQRVBDAY-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO Cc1ncoc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000893912335 583245877 /nfs/dbraw/zinc/24/58/77/583245877.db2.gz FAJNYAKQRVBDAY-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCn1c[nH+]cc1CNc1cn(C)nc1OC ZINC000893960968 583255798 /nfs/dbraw/zinc/25/57/98/583255798.db2.gz LDJWRNYXEZTNFJ-UHFFFAOYSA-N 1 2 235.291 1.257 20 0 BDADLO CN(C)c1cc(NCC2CC(F)(F)C2)[nH+]cn1 ZINC000893946070 583257644 /nfs/dbraw/zinc/25/76/44/583257644.db2.gz PCWRZRSGMGSKCM-UHFFFAOYSA-N 1 2 242.273 2.000 20 0 BDADLO CN(C)c1cc(NCC2CC(F)(F)C2)nc[nH+]1 ZINC000893946070 583257648 /nfs/dbraw/zinc/25/76/48/583257648.db2.gz PCWRZRSGMGSKCM-UHFFFAOYSA-N 1 2 242.273 2.000 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ocnc1C ZINC000893948738 583258727 /nfs/dbraw/zinc/25/87/27/583258727.db2.gz YDVZPGXLVKTQDK-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ocnc1C ZINC000893948738 583258730 /nfs/dbraw/zinc/25/87/30/583258730.db2.gz YDVZPGXLVKTQDK-SNVBAGLBSA-N 1 2 237.303 1.084 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000893952104 583260060 /nfs/dbraw/zinc/26/00/60/583260060.db2.gz AULPYMMCSFQJBD-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000893952104 583260062 /nfs/dbraw/zinc/26/00/62/583260062.db2.gz AULPYMMCSFQJBD-BDAKNGLRSA-N 1 2 210.277 1.592 20 0 BDADLO C[C@H](F)CCNc1cc(N(C)C)nc[nH+]1 ZINC000893982164 583266238 /nfs/dbraw/zinc/26/62/38/583266238.db2.gz PRFVYLQHQODOPI-QMMMGPOBSA-N 1 2 212.272 1.703 20 0 BDADLO C[C@H](F)CCNc1cc(N(C)C)[nH+]cn1 ZINC000893982164 583266242 /nfs/dbraw/zinc/26/62/42/583266242.db2.gz PRFVYLQHQODOPI-QMMMGPOBSA-N 1 2 212.272 1.703 20 0 BDADLO CCc1nnc(CNc2cccc([C@@H](C)O)[nH+]2)[nH]1 ZINC000894007620 583270521 /nfs/dbraw/zinc/27/05/21/583270521.db2.gz FOFKVPOYPLNAIC-MRVPVSSYSA-N 1 2 247.302 1.428 20 0 BDADLO Cc1coc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000894023816 583280357 /nfs/dbraw/zinc/28/03/57/583280357.db2.gz BNTVIHMCIQSZOG-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO Cc1coc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000894023816 583280358 /nfs/dbraw/zinc/28/03/58/583280358.db2.gz BNTVIHMCIQSZOG-JTQLQIEISA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ncoc1C[N@H+](C)Cc1cn[nH]c1 ZINC000894028734 583282092 /nfs/dbraw/zinc/28/20/92/583282092.db2.gz ZEYCFDNYMRMJSA-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO Cc1ncoc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000894028734 583282094 /nfs/dbraw/zinc/28/20/94/583282094.db2.gz ZEYCFDNYMRMJSA-UHFFFAOYSA-N 1 2 206.249 1.338 20 0 BDADLO CNc1cc(NCC2=CCOCC2)nc[nH+]1 ZINC000894029139 583282139 /nfs/dbraw/zinc/28/21/39/583282139.db2.gz VFFVKOFPEBEHRP-UHFFFAOYSA-N 1 2 220.276 1.277 20 0 BDADLO CNc1cc(NCC2=CCOCC2)[nH+]cn1 ZINC000894029139 583282141 /nfs/dbraw/zinc/28/21/41/583282141.db2.gz VFFVKOFPEBEHRP-UHFFFAOYSA-N 1 2 220.276 1.277 20 0 BDADLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(F)F ZINC000894043721 583286058 /nfs/dbraw/zinc/28/60/58/583286058.db2.gz VWMGJTSXMCMNHS-ZETCQYMHSA-N 1 2 239.225 1.718 20 0 BDADLO CNc1cc(N2CC[C@@H](OC)[C@H](C)C2)nc[nH+]1 ZINC000894062653 583293062 /nfs/dbraw/zinc/29/30/62/583293062.db2.gz FBJDOEHENQCLBD-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO CNc1cc(N2CC[C@@H](OC)[C@H](C)C2)[nH+]cn1 ZINC000894062653 583293065 /nfs/dbraw/zinc/29/30/65/583293065.db2.gz FBJDOEHENQCLBD-NXEZZACHSA-N 1 2 236.319 1.380 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1cc(N(C)C)nc[nH+]1 ZINC000894071533 583296878 /nfs/dbraw/zinc/29/68/78/583296878.db2.gz JFKBRLLMALDFOU-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@@H]1CCC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000894071533 583296880 /nfs/dbraw/zinc/29/68/80/583296880.db2.gz JFKBRLLMALDFOU-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CN(C)c1cc(NC[C@H](O)C2CCC2)[nH+]cn1 ZINC000894120307 583310334 /nfs/dbraw/zinc/31/03/34/583310334.db2.gz UWGANGNJXYJDLB-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@H](O)C2CCC2)nc[nH+]1 ZINC000894120307 583310336 /nfs/dbraw/zinc/31/03/36/583310336.db2.gz UWGANGNJXYJDLB-JTQLQIEISA-N 1 2 236.319 1.116 20 0 BDADLO C[S@@](=O)Cc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894130798 583313091 /nfs/dbraw/zinc/31/30/91/583313091.db2.gz LCUZRIVQXTVKBB-QGZVFWFLSA-N 1 2 249.339 1.900 20 0 BDADLO C[S@@](=O)Cc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000894130798 583313095 /nfs/dbraw/zinc/31/30/95/583313095.db2.gz LCUZRIVQXTVKBB-QGZVFWFLSA-N 1 2 249.339 1.900 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000894147266 583318658 /nfs/dbraw/zinc/31/86/58/583318658.db2.gz FWSYHQBJTDBTCQ-LURJTMIESA-N 1 2 209.236 1.571 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2cc(N(C)C)nc[nH+]2)O1 ZINC000894152356 583319163 /nfs/dbraw/zinc/31/91/63/583319163.db2.gz KKCULMVWTRIGNW-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1CC[C@@H](CNc2cc(N(C)C)[nH+]cn2)O1 ZINC000894152356 583319164 /nfs/dbraw/zinc/31/91/64/583319164.db2.gz KKCULMVWTRIGNW-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO COC(=O)c1cc(C[NH+]2CC3(CC3)C2)[nH]c1C ZINC000877555874 583327712 /nfs/dbraw/zinc/32/77/12/583327712.db2.gz FROWBZREUNDFIY-UHFFFAOYSA-N 1 2 234.299 1.706 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cccnc1N(C)C ZINC000894176117 583327766 /nfs/dbraw/zinc/32/77/66/583327766.db2.gz PKIJTQRUXQYDIF-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO CCn1ccc(CNc2cc(NC)[nH+]cn2)n1 ZINC000894185505 583332857 /nfs/dbraw/zinc/33/28/57/583332857.db2.gz PDZKHRJPPIUVMQ-UHFFFAOYSA-N 1 2 232.291 1.347 20 0 BDADLO CCn1ccc(CNc2cc(NC)nc[nH+]2)n1 ZINC000894185505 583332859 /nfs/dbraw/zinc/33/28/59/583332859.db2.gz PDZKHRJPPIUVMQ-UHFFFAOYSA-N 1 2 232.291 1.347 20 0 BDADLO C=Cn1cc(C[NH+]2CC(OC(C)(C)C)C2)cn1 ZINC000877770195 583346853 /nfs/dbraw/zinc/34/68/53/583346853.db2.gz QGWZIQFDPHGXDB-UHFFFAOYSA-N 1 2 235.331 1.983 20 0 BDADLO COc1ccc2c(c1)CC[N@@H+](CN1CCC1=O)C2 ZINC000857237623 588900847 /nfs/dbraw/zinc/90/08/47/588900847.db2.gz XQELLNPOHUJLQX-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO COc1ccc2c(c1)CC[N@H+](CN1CCC1=O)C2 ZINC000857237623 588900849 /nfs/dbraw/zinc/90/08/49/588900849.db2.gz XQELLNPOHUJLQX-UHFFFAOYSA-N 1 2 246.310 1.243 20 0 BDADLO O=C1CCN1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000857238001 588901093 /nfs/dbraw/zinc/90/10/93/588901093.db2.gz ZCRPCMNSOCKEOU-GFCCVEGCSA-N 1 2 238.331 1.067 20 0 BDADLO O=C1CCN1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000857238001 588901094 /nfs/dbraw/zinc/90/10/94/588901094.db2.gz ZCRPCMNSOCKEOU-GFCCVEGCSA-N 1 2 238.331 1.067 20 0 BDADLO CNc1cc(NC[C@H](CC(C)C)OC)[nH+]cn1 ZINC000894229698 583384554 /nfs/dbraw/zinc/38/45/54/583384554.db2.gz URFJNHCXFBFQTB-JTQLQIEISA-N 1 2 238.335 1.991 20 0 BDADLO C[C@@H](O)c1cccc(N[C@H]2C[C@@](C)(O)C2)[nH+]1 ZINC000894232931 583385627 /nfs/dbraw/zinc/38/56/27/583385627.db2.gz MRRZNHDJJURDNO-LNLATYFQSA-N 1 2 222.288 1.460 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000894281370 583408484 /nfs/dbraw/zinc/40/84/84/583408484.db2.gz QKDLIQCRSMZRTE-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1cc(F)ncc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000894281370 583408489 /nfs/dbraw/zinc/40/84/89/583408489.db2.gz QKDLIQCRSMZRTE-LBPRGKRZSA-N 1 2 242.269 1.435 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@H+]1CN1CCC1=O ZINC000857229334 588896395 /nfs/dbraw/zinc/89/63/95/588896395.db2.gz PMQCYWGHYCFPIL-SECBINFHSA-N 1 2 236.340 1.857 20 0 BDADLO C[C@@H]1c2ccsc2CC[N@@H+]1CN1CCC1=O ZINC000857229334 588896397 /nfs/dbraw/zinc/89/63/97/588896397.db2.gz PMQCYWGHYCFPIL-SECBINFHSA-N 1 2 236.340 1.857 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)cnc1F ZINC000894281094 583408645 /nfs/dbraw/zinc/40/86/45/583408645.db2.gz OSNMOOUWOBIFBN-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)cnc1F ZINC000894281094 583408646 /nfs/dbraw/zinc/40/86/46/583408646.db2.gz OSNMOOUWOBIFBN-GFCCVEGCSA-N 1 2 242.269 1.435 20 0 BDADLO COc1ccc(C[N@H+](C)CN2CCC2=O)cc1C ZINC000857232475 588898061 /nfs/dbraw/zinc/89/80/61/588898061.db2.gz YRUJWNMWVXMHPG-UHFFFAOYSA-N 1 2 248.326 1.625 20 0 BDADLO COc1ccc(C[N@@H+](C)CN2CCC2=O)cc1C ZINC000857232475 588898063 /nfs/dbraw/zinc/89/80/63/588898063.db2.gz YRUJWNMWVXMHPG-UHFFFAOYSA-N 1 2 248.326 1.625 20 0 BDADLO COc1cc[nH+]cc1NCc1ocnc1C ZINC000894358047 583436704 /nfs/dbraw/zinc/43/67/04/583436704.db2.gz AGGSJUURVAIYOS-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO COCCOc1ncccc1NCc1c[nH+]c[nH]1 ZINC000894360044 583436913 /nfs/dbraw/zinc/43/69/13/583436913.db2.gz SVRWVUXHHIGNAS-UHFFFAOYSA-N 1 2 248.286 1.442 20 0 BDADLO COCCOc1ncccc1NCc1c[nH]c[nH+]1 ZINC000894360044 583436915 /nfs/dbraw/zinc/43/69/15/583436915.db2.gz SVRWVUXHHIGNAS-UHFFFAOYSA-N 1 2 248.286 1.442 20 0 BDADLO CCN(CCSC)c1cc(N(C)C)[nH+]cn1 ZINC000894365869 583438862 /nfs/dbraw/zinc/43/88/62/583438862.db2.gz GMYGLUNUEAVYAO-UHFFFAOYSA-N 1 2 240.376 1.732 20 0 BDADLO CCN(CCSC)c1cc(N(C)C)nc[nH+]1 ZINC000894365869 583438864 /nfs/dbraw/zinc/43/88/64/583438864.db2.gz GMYGLUNUEAVYAO-UHFFFAOYSA-N 1 2 240.376 1.732 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1C ZINC000894421663 583454722 /nfs/dbraw/zinc/45/47/22/583454722.db2.gz FMZWUHVCQWIFIB-NEPJUHHUSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1C ZINC000894421663 583454724 /nfs/dbraw/zinc/45/47/24/583454724.db2.gz FMZWUHVCQWIFIB-NEPJUHHUSA-N 1 2 237.347 1.619 20 0 BDADLO CO[C@@H](C)C[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000894434221 583459087 /nfs/dbraw/zinc/45/90/87/583459087.db2.gz CHYDSKNEHPJWEE-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000894434221 583459089 /nfs/dbraw/zinc/45/90/89/583459089.db2.gz CHYDSKNEHPJWEE-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO Cc1ccnc(N)c1C[N@H+](C)Cc1ccccn1 ZINC000894450831 583463773 /nfs/dbraw/zinc/46/37/73/583463773.db2.gz RBAOYAAGIZLAKK-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1ccnc(N)c1C[N@@H+](C)Cc1ccccn1 ZINC000894450831 583463776 /nfs/dbraw/zinc/46/37/76/583463776.db2.gz RBAOYAAGIZLAKK-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO CCc1cc(NCCN(C)OC)nc(CC)[nH+]1 ZINC000894463769 583466113 /nfs/dbraw/zinc/46/61/13/583466113.db2.gz IICANTFMJYLGTK-UHFFFAOYSA-N 1 2 238.335 1.507 20 0 BDADLO Cc1ncoc1C[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000894488524 583470678 /nfs/dbraw/zinc/47/06/78/583470678.db2.gz YVFPOOJJIZJTFP-NXEZZACHSA-N 1 2 223.320 1.507 20 0 BDADLO Cc1ncoc1C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000894488524 583470679 /nfs/dbraw/zinc/47/06/79/583470679.db2.gz YVFPOOJJIZJTFP-NXEZZACHSA-N 1 2 223.320 1.507 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ocnc1C ZINC000894486523 583471315 /nfs/dbraw/zinc/47/13/15/583471315.db2.gz ZPCDNQSSBZPUBI-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ocnc1C ZINC000894486523 583471318 /nfs/dbraw/zinc/47/13/18/583471318.db2.gz ZPCDNQSSBZPUBI-LBPRGKRZSA-N 1 2 224.304 1.984 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](C)n3ncnc32)nc[nH+]1 ZINC000894492478 583472976 /nfs/dbraw/zinc/47/29/76/583472976.db2.gz OPSUSVSFPUCICR-YUMQZZPRSA-N 1 2 245.290 1.228 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](C)n3ncnc32)[nH+]cn1 ZINC000894492478 583472977 /nfs/dbraw/zinc/47/29/77/583472977.db2.gz OPSUSVSFPUCICR-YUMQZZPRSA-N 1 2 245.290 1.228 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000894500963 583474652 /nfs/dbraw/zinc/47/46/52/583474652.db2.gz SPMWYTYPBWTCTR-PSASIEDQSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000894500963 583474654 /nfs/dbraw/zinc/47/46/54/583474654.db2.gz SPMWYTYPBWTCTR-PSASIEDQSA-N 1 2 237.303 1.069 20 0 BDADLO CNc1cc(N2CC3(CCC3)OC[C@H]2C)nc[nH+]1 ZINC000894525568 583477919 /nfs/dbraw/zinc/47/79/19/583477919.db2.gz DSIKQOOXAHQWNO-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO CNc1cc(N2CC3(CCC3)OC[C@H]2C)[nH+]cn1 ZINC000894525568 583477920 /nfs/dbraw/zinc/47/79/20/583477920.db2.gz DSIKQOOXAHQWNO-SNVBAGLBSA-N 1 2 248.330 1.666 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000894538799 583479819 /nfs/dbraw/zinc/47/98/19/583479819.db2.gz MAVPNGLHKJJVSV-VHSXEESVSA-N 1 2 223.320 1.488 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H](O)C[C@@H]2C)n1 ZINC000894538799 583479822 /nfs/dbraw/zinc/47/98/22/583479822.db2.gz MAVPNGLHKJJVSV-VHSXEESVSA-N 1 2 223.320 1.488 20 0 BDADLO Cc1[nH]nc(C[NH+]2CC(C3CCOCC3)C2)c1C ZINC000894667900 583503024 /nfs/dbraw/zinc/50/30/24/583503024.db2.gz OQPZGXIKNYWHLR-UHFFFAOYSA-N 1 2 249.358 1.885 20 0 BDADLO F[C@@H]1CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894670757 583503388 /nfs/dbraw/zinc/50/33/88/583503388.db2.gz MBEAMRXUZOULHI-SECBINFHSA-N 1 2 209.268 1.762 20 0 BDADLO CC(C)[N@H+](Cc1cnn(C)c1C1CC1)C1COC1 ZINC000894658702 583504449 /nfs/dbraw/zinc/50/44/49/583504449.db2.gz JWUUZFMGMJFZKP-UHFFFAOYSA-N 1 2 249.358 1.907 20 0 BDADLO CC(C)[N@@H+](Cc1cnn(C)c1C1CC1)C1COC1 ZINC000894658702 583504452 /nfs/dbraw/zinc/50/44/52/583504452.db2.gz JWUUZFMGMJFZKP-UHFFFAOYSA-N 1 2 249.358 1.907 20 0 BDADLO CCn1ncc(CNc2cccc([C@@H](C)O)[nH+]2)n1 ZINC000894698460 583510636 /nfs/dbraw/zinc/51/06/36/583510636.db2.gz XPCRNWQHHNNHLS-SECBINFHSA-N 1 2 247.302 1.358 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)c(C)c1 ZINC000894730329 583513501 /nfs/dbraw/zinc/51/35/01/583513501.db2.gz VYQNRJCWHWMJFF-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(C)c1 ZINC000894730329 583513502 /nfs/dbraw/zinc/51/35/02/583513502.db2.gz VYQNRJCWHWMJFF-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO OCCCOc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894754743 583515908 /nfs/dbraw/zinc/51/59/08/583515908.db2.gz GEEXCRKFCFXTGP-UHFFFAOYSA-N 1 2 247.298 1.783 20 0 BDADLO OCCCOc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894754743 583515909 /nfs/dbraw/zinc/51/59/09/583515909.db2.gz GEEXCRKFCFXTGP-UHFFFAOYSA-N 1 2 247.298 1.783 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(F)c2N)[nH]1 ZINC000894777790 583519271 /nfs/dbraw/zinc/51/92/71/583519271.db2.gz LZDIZSLDIWKSMY-ZETCQYMHSA-N 1 2 249.293 1.685 20 0 BDADLO Cc1c[nH]c(CNc2ncnc(C)c2C)[nH+]1 ZINC000894790649 583519899 /nfs/dbraw/zinc/51/98/99/583519899.db2.gz QCWYZQFTRRSIKN-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO COc1ccccc1N(CCO)Cc1c[nH+]c[nH]1 ZINC000894786206 583521860 /nfs/dbraw/zinc/52/18/60/583521860.db2.gz IDAJATIPSLAPSA-UHFFFAOYSA-N 1 2 247.298 1.417 20 0 BDADLO COc1ccccc1N(CCO)Cc1c[nH]c[nH+]1 ZINC000894786206 583521861 /nfs/dbraw/zinc/52/18/61/583521861.db2.gz IDAJATIPSLAPSA-UHFFFAOYSA-N 1 2 247.298 1.417 20 0 BDADLO CCOC1C[NH+](Cc2cn(CC)nc2C)C1 ZINC000894820268 583524737 /nfs/dbraw/zinc/52/47/37/583524737.db2.gz UCMPKCGNDUHTDO-UHFFFAOYSA-N 1 2 223.320 1.432 20 0 BDADLO CCn1cc(C[NH+]2CC(OC)C2)c(C)n1 ZINC000894820599 583524914 /nfs/dbraw/zinc/52/49/14/583524914.db2.gz ZEZQATUOMSGCHT-UHFFFAOYSA-N 1 2 209.293 1.042 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC(OC)C2)cc1C ZINC000894820254 583525060 /nfs/dbraw/zinc/52/50/60/583525060.db2.gz SRMSOFDYBWRKDY-UHFFFAOYSA-N 1 2 249.310 1.612 20 0 BDADLO OC[C@H]1Cc2ccccc2N(Cc2c[nH+]c[nH]2)C1 ZINC000894821611 583525458 /nfs/dbraw/zinc/52/54/58/583525458.db2.gz QZAKDQILVBGJRN-NSHDSACASA-N 1 2 243.310 1.581 20 0 BDADLO OC[C@H]1Cc2ccccc2N(Cc2c[nH]c[nH+]2)C1 ZINC000894821611 583525459 /nfs/dbraw/zinc/52/54/59/583525459.db2.gz QZAKDQILVBGJRN-NSHDSACASA-N 1 2 243.310 1.581 20 0 BDADLO Cc1nnc(C[NH+]2CC(C(C)(C)O)C2)s1 ZINC000894829602 583527065 /nfs/dbraw/zinc/52/70/65/583527065.db2.gz ASSSPRWEHBLWHK-UHFFFAOYSA-N 1 2 227.333 1.049 20 0 BDADLO CC1(CO)C[NH+](Cc2cc(O)cc(Cl)c2)C1 ZINC000894841051 583529862 /nfs/dbraw/zinc/52/98/62/583529862.db2.gz QASOHIGHCREYPR-UHFFFAOYSA-N 1 2 241.718 1.860 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@H](C)[C@H]2C)nn1 ZINC000894861989 583535146 /nfs/dbraw/zinc/53/51/46/583535146.db2.gz QPNDNRZZJAPLJU-VHSXEESVSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@H](C)[C@H]2C)nn1 ZINC000894861989 583535149 /nfs/dbraw/zinc/53/51/49/583535149.db2.gz QPNDNRZZJAPLJU-VHSXEESVSA-N 1 2 208.309 1.528 20 0 BDADLO Cn1nc2c(c1C[NH+]1CC3(CC3)C1)CSCC2 ZINC000894871206 583539513 /nfs/dbraw/zinc/53/95/13/583539513.db2.gz SKAQGIQVWLWWKF-UHFFFAOYSA-N 1 2 249.383 1.805 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]C1CC(SC)C1 ZINC000894898982 583550797 /nfs/dbraw/zinc/55/07/97/583550797.db2.gz YDCGQIUDDFTISN-VQXHTEKXSA-N 1 2 243.372 1.812 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000894947657 583557655 /nfs/dbraw/zinc/55/76/55/583557655.db2.gz GOJPIOMJSDMTIL-WDEREUQCSA-N 1 2 237.347 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000894947657 583557656 /nfs/dbraw/zinc/55/76/56/583557656.db2.gz GOJPIOMJSDMTIL-WDEREUQCSA-N 1 2 237.347 1.736 20 0 BDADLO Cc1ccnc(N)c1C[NH+]1CC(O)(C(C)C)C1 ZINC000894970910 583561319 /nfs/dbraw/zinc/56/13/19/583561319.db2.gz PZANKTPSKMAYME-UHFFFAOYSA-N 1 2 235.331 1.175 20 0 BDADLO COC1C[NH+](Cc2cccc3c2NCCC3)C1 ZINC000894971405 583561386 /nfs/dbraw/zinc/56/13/86/583561386.db2.gz WVMHJXUBRXCNPQ-UHFFFAOYSA-N 1 2 232.327 1.875 20 0 BDADLO CC1(O)C[NH+](C/C=C\c2cccc(F)c2)C1 ZINC000894977005 583563102 /nfs/dbraw/zinc/56/31/02/583563102.db2.gz PXZJONRYTWTNAT-HYXAFXHYSA-N 1 2 221.275 1.906 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000895012656 583567847 /nfs/dbraw/zinc/56/78/47/583567847.db2.gz SXFQIBPNHUCVSV-JTQLQIEISA-N 1 2 246.318 1.134 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000895012656 583567848 /nfs/dbraw/zinc/56/78/48/583567848.db2.gz SXFQIBPNHUCVSV-JTQLQIEISA-N 1 2 246.318 1.134 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)n1 ZINC000895012656 583567850 /nfs/dbraw/zinc/56/78/50/583567850.db2.gz SXFQIBPNHUCVSV-JTQLQIEISA-N 1 2 246.318 1.134 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)n1 ZINC000895012656 583567851 /nfs/dbraw/zinc/56/78/51/583567851.db2.gz SXFQIBPNHUCVSV-JTQLQIEISA-N 1 2 246.318 1.134 20 0 BDADLO c1nc2c([nH]1)C1(CCC1)[N@H+](Cc1cn[nH]c1)CC2 ZINC000895068434 583578813 /nfs/dbraw/zinc/57/88/13/583578813.db2.gz ZIBXOLKHIKNPBF-UHFFFAOYSA-N 1 2 243.314 1.570 20 0 BDADLO c1nc2c([nH]1)C1(CCC1)[N@@H+](Cc1cn[nH]c1)CC2 ZINC000895068434 583578815 /nfs/dbraw/zinc/57/88/15/583578815.db2.gz ZIBXOLKHIKNPBF-UHFFFAOYSA-N 1 2 243.314 1.570 20 0 BDADLO COCCOCC[N@@H+]1Cc2ccncc2C1 ZINC000857875960 588913384 /nfs/dbraw/zinc/91/33/84/588913384.db2.gz IXCMKMRVJQRKRW-UHFFFAOYSA-N 1 2 222.288 1.060 20 0 BDADLO COCCOCC[N@H+]1Cc2ccncc2C1 ZINC000857875960 588913385 /nfs/dbraw/zinc/91/33/85/588913385.db2.gz IXCMKMRVJQRKRW-UHFFFAOYSA-N 1 2 222.288 1.060 20 0 BDADLO Cc1nonc1CNc1cccc([C@@H](C)O)[nH+]1 ZINC000895091290 583586547 /nfs/dbraw/zinc/58/65/47/583586547.db2.gz CUUZGMSIMKUGTL-MRVPVSSYSA-N 1 2 234.259 1.438 20 0 BDADLO C[C@H](O)[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1F ZINC000895134293 583601808 /nfs/dbraw/zinc/60/18/08/583601808.db2.gz ZMMHLDWDQVALIZ-TVQRCGJNSA-N 1 2 249.289 1.761 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000895154779 583607503 /nfs/dbraw/zinc/60/75/03/583607503.db2.gz VYERRPOSXYXDFX-ZJUUUORDSA-N 1 2 236.319 1.265 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cnc[nH]1 ZINC000895280222 583636009 /nfs/dbraw/zinc/63/60/09/583636009.db2.gz OUGPMQLSKLYVHW-UHFFFAOYSA-N 1 2 245.330 1.701 20 0 BDADLO COC(=O)[C@@H]1CC[C@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000895295701 583640798 /nfs/dbraw/zinc/64/07/98/583640798.db2.gz IWQSPOCFNVLQRX-MNOVXSKESA-N 1 2 249.314 1.847 20 0 BDADLO C[C@@H](CC(=O)N(C)CCCF)n1cc[nH+]c1 ZINC000895305559 583643003 /nfs/dbraw/zinc/64/30/03/583643003.db2.gz SPDPUZZBORCCMU-JTQLQIEISA-N 1 2 227.283 1.652 20 0 BDADLO NC(=O)[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000727466485 583655317 /nfs/dbraw/zinc/65/53/17/583655317.db2.gz VIDOTCADRDFUBD-GFCCVEGCSA-N 1 2 230.267 1.596 20 0 BDADLO O=C(N1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000727474001 583657950 /nfs/dbraw/zinc/65/79/50/583657950.db2.gz IQYBMCRQYXKEPM-UHFFFAOYSA-N 1 2 248.330 1.736 20 0 BDADLO c1cn(CCN2Cc3ccncc3C2)c[nH+]1 ZINC000857878739 588919440 /nfs/dbraw/zinc/91/94/40/588919440.db2.gz LRHOAVZJLINGJV-UHFFFAOYSA-N 1 2 214.272 1.294 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCc3n[nH]cc3C2)c1C ZINC000895390553 583663749 /nfs/dbraw/zinc/66/37/49/583663749.db2.gz XNVUWKZOUGUSGQ-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCc3n[nH]cc3C2)c1C ZINC000895390553 583663750 /nfs/dbraw/zinc/66/37/50/583663750.db2.gz XNVUWKZOUGUSGQ-UHFFFAOYSA-N 1 2 231.303 1.308 20 0 BDADLO FC(F)[C@H]1CC[N@@H+]1CC[C@H]1CCOC1 ZINC000895433605 583672026 /nfs/dbraw/zinc/67/20/26/583672026.db2.gz WUSHWKJJLNMJCZ-DTWKUNHWSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@H]1CC[N@H+]1CC[C@H]1CCOC1 ZINC000895433605 583672027 /nfs/dbraw/zinc/67/20/27/583672027.db2.gz WUSHWKJJLNMJCZ-DTWKUNHWSA-N 1 2 205.248 1.752 20 0 BDADLO CC/C(C)=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885891 588920502 /nfs/dbraw/zinc/92/05/02/588920502.db2.gz PRFXCEBOZBFQHO-FWAPLPHYSA-N 1 2 219.288 1.280 20 0 BDADLO Cn1cc[nH+]c1CN1CC[C@H]1C(F)F ZINC000895436021 583674785 /nfs/dbraw/zinc/67/47/85/583674785.db2.gz KHDGCKZCKUOHLS-ZETCQYMHSA-N 1 2 201.220 1.260 20 0 BDADLO C/C(=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000857887599 588921112 /nfs/dbraw/zinc/92/11/12/588921112.db2.gz MZVZGHHKIZPVFT-KSHIFHCESA-N 1 2 231.299 1.280 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC(C)C)c[nH+]1 ZINC000895481420 583680887 /nfs/dbraw/zinc/68/08/87/583680887.db2.gz KTSCCJVUAZYAFJ-UHFFFAOYSA-N 1 2 223.320 1.699 20 0 BDADLO COC(=O)CC(C)(C)CNc1cc[nH+]c(C)n1 ZINC000895506675 583681479 /nfs/dbraw/zinc/68/14/79/583681479.db2.gz SDDPQQVNDUPNDR-UHFFFAOYSA-N 1 2 237.303 1.786 20 0 BDADLO CC(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)=C1CCCC1 ZINC000857889130 588921248 /nfs/dbraw/zinc/92/12/48/588921248.db2.gz HMAUQXJLOLSEKA-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C(F)=C1CCC1 ZINC000857942137 588924414 /nfs/dbraw/zinc/92/44/14/588924414.db2.gz UGQLPUUTMREHSW-SNVBAGLBSA-N 1 2 249.289 1.722 20 0 BDADLO CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895665166 583702621 /nfs/dbraw/zinc/70/26/21/583702621.db2.gz FKVWYLSZBMVWJE-UHFFFAOYSA-N 1 2 209.293 1.405 20 0 BDADLO O[C@@]12C[C@@H]1C[N@H+](Cc1nc(Cl)cs1)C2 ZINC000895654478 583701078 /nfs/dbraw/zinc/70/10/78/583701078.db2.gz RRGDARQVMTYXTK-HZGVNTEJSA-N 1 2 230.720 1.363 20 0 BDADLO O[C@@]12C[C@@H]1C[N@@H+](Cc1nc(Cl)cs1)C2 ZINC000895654478 583701079 /nfs/dbraw/zinc/70/10/79/583701079.db2.gz RRGDARQVMTYXTK-HZGVNTEJSA-N 1 2 230.720 1.363 20 0 BDADLO CC[C@H](C)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000895699582 583709770 /nfs/dbraw/zinc/70/97/70/583709770.db2.gz TWMSPTVNUVMFTK-JTQLQIEISA-N 1 2 238.335 1.656 20 0 BDADLO Cn1cc(C[NH2+]Cc2ncc[nH]2)c(C2CC2)n1 ZINC000895705095 583710395 /nfs/dbraw/zinc/71/03/95/583710395.db2.gz VBFHCEXWCKNAHS-UHFFFAOYSA-N 1 2 231.303 1.310 20 0 BDADLO CCOCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895757227 583720875 /nfs/dbraw/zinc/72/08/75/583720875.db2.gz UTCPFHZAAOFBQN-UHFFFAOYSA-N 1 2 239.319 1.079 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCO[C@H](C)CC1 ZINC000895761060 583721746 /nfs/dbraw/zinc/72/17/46/583721746.db2.gz AMPRWCSFAJUKRQ-SECBINFHSA-N 1 2 237.303 1.409 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C(F)=C1CCC1 ZINC000857942136 588924202 /nfs/dbraw/zinc/92/42/02/588924202.db2.gz UGQLPUUTMREHSW-JTQLQIEISA-N 1 2 249.289 1.722 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1=CCCCO1 ZINC000857948572 588924728 /nfs/dbraw/zinc/92/47/28/588924728.db2.gz MVDSLRIBGGBASA-JTQLQIEISA-N 1 2 247.298 1.008 20 0 BDADLO CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895808893 583729420 /nfs/dbraw/zinc/72/94/20/583729420.db2.gz WNYDDKUHXPKCLS-OUAUKWLOSA-N 1 2 241.331 1.485 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)nn1 ZINC000895782304 583729757 /nfs/dbraw/zinc/72/97/57/583729757.db2.gz BSOSOEGMRHUNHU-HTQZYQBOSA-N 1 2 234.225 1.338 20 0 BDADLO Cc1ccc(CC[NH2+][C@H]2CCOC2=O)cc1 ZINC000895809432 583730453 /nfs/dbraw/zinc/73/04/53/583730453.db2.gz VXYCHQXDJUEGKY-LBPRGKRZSA-N 1 2 219.284 1.443 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000895802192 583730700 /nfs/dbraw/zinc/73/07/00/583730700.db2.gz OKTSSVYTAPUQCZ-PWSUYJOCSA-N 1 2 247.294 1.458 20 0 BDADLO C[C@H](CCc1ccco1)[NH2+][C@H]1CCOC1=O ZINC000895803054 583731324 /nfs/dbraw/zinc/73/13/24/583731324.db2.gz AUURATPSFREVBD-KOLCDFICSA-N 1 2 223.272 1.506 20 0 BDADLO CC[C@@H](NC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000895808088 583732841 /nfs/dbraw/zinc/73/28/41/583732841.db2.gz ZFXRPQCNLRIZTI-LLVKDONJSA-N 1 2 236.319 1.408 20 0 BDADLO CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC2=O)C1 ZINC000895812182 583733055 /nfs/dbraw/zinc/73/30/55/583733055.db2.gz NXDUHLWUMYHNFQ-MXWKQRLJSA-N 1 2 227.304 1.239 20 0 BDADLO CCO[C@H]1CCC[C@@H]([NH2+][C@H]2CCOC2=O)C1 ZINC000895812183 583733095 /nfs/dbraw/zinc/73/30/95/583733095.db2.gz NXDUHLWUMYHNFQ-VWYCJHECSA-N 1 2 227.304 1.239 20 0 BDADLO CCO[C@H]1CCC[C@H]([NH2+][C@H]2CCOC2=O)C1 ZINC000895812181 583733259 /nfs/dbraw/zinc/73/32/59/583733259.db2.gz NXDUHLWUMYHNFQ-DCAQKATOSA-N 1 2 227.304 1.239 20 0 BDADLO O=C(/C=C/C1CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857963225 588925876 /nfs/dbraw/zinc/92/58/76/588925876.db2.gz RDAXIKDQKIAULF-PGLGOXFNSA-N 1 2 231.299 1.280 20 0 BDADLO CC/C=C(\C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857961823 588925947 /nfs/dbraw/zinc/92/59/47/588925947.db2.gz GPHVUIJCDHZBRV-LLMHMKPQSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2COC[C@@H]2C)[nH+]1 ZINC000895907943 583745320 /nfs/dbraw/zinc/74/53/20/583745320.db2.gz FITCGDIQVBICQP-QXEWZRGKSA-N 1 2 222.288 1.582 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[C@H]1C1CCC1 ZINC000857976548 588926163 /nfs/dbraw/zinc/92/61/63/588926163.db2.gz HAQJZZVVIHJZEX-TUAOUCFPSA-N 1 2 245.326 1.880 20 0 BDADLO CCC(=O)C1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857976327 588926320 /nfs/dbraw/zinc/92/63/20/588926320.db2.gz BHQHMLXBOYTMCF-SECBINFHSA-N 1 2 247.298 1.203 20 0 BDADLO O=C(CSC1CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857976271 588926456 /nfs/dbraw/zinc/92/64/56/588926456.db2.gz AOPWWUTULPLRJL-VIFPVBQESA-N 1 2 237.328 1.340 20 0 BDADLO CC(C)OC1CN(Cc2[nH+]ccn2C2CC2)C1 ZINC000895955163 583752487 /nfs/dbraw/zinc/75/24/87/583752487.db2.gz AWONMXOHYCZDSK-UHFFFAOYSA-N 1 2 235.331 1.827 20 0 BDADLO Cc1c[nH]c(CN2CC(OC(C)C)C2)[nH+]1 ZINC000895956339 583752771 /nfs/dbraw/zinc/75/27/71/583752771.db2.gz KHUWXOJTYWYVEN-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO CC(C)OC1CN(Cc2cccc3[nH+]ccn32)C1 ZINC000895955291 583752860 /nfs/dbraw/zinc/75/28/60/583752860.db2.gz QCTXYRKCBAKNQT-UHFFFAOYSA-N 1 2 245.326 1.944 20 0 BDADLO CO[C@@H]1CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000895962904 583753111 /nfs/dbraw/zinc/75/31/11/583753111.db2.gz DHOCTHZWDDQBGY-LBPRGKRZSA-N 1 2 237.303 1.023 20 0 BDADLO CCc1cnc(C[NH+]2CC(COC)C2)s1 ZINC000895970659 583756139 /nfs/dbraw/zinc/75/61/39/583756139.db2.gz HATGIDFEVGUJFY-UHFFFAOYSA-N 1 2 226.345 1.784 20 0 BDADLO COCC1C[NH+](Cc2cn(C)nc2Cl)C1 ZINC000895975289 583756717 /nfs/dbraw/zinc/75/67/17/583756717.db2.gz UQIIXXQJMCNJCT-UHFFFAOYSA-N 1 2 229.711 1.152 20 0 BDADLO COCC1C[NH+](Cc2cc(OC)ns2)C1 ZINC000895974271 583757189 /nfs/dbraw/zinc/75/71/89/583757189.db2.gz DCEXLAVMOABRLK-UHFFFAOYSA-N 1 2 228.317 1.230 20 0 BDADLO CC(C)(C)c1coc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000896020768 583763764 /nfs/dbraw/zinc/76/37/64/583763764.db2.gz CSBXHOPEDBCWBL-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1coc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000896020768 583763766 /nfs/dbraw/zinc/76/37/66/583763766.db2.gz CSBXHOPEDBCWBL-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO COCCOC[C@H](C)[NH2+][C@H](C)C(F)F ZINC000896038610 583766035 /nfs/dbraw/zinc/76/60/35/583766035.db2.gz UVUNNGJGNRUVNC-JGVFFNPUSA-N 1 2 211.252 1.281 20 0 BDADLO Cn1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857980195 588927578 /nfs/dbraw/zinc/92/75/78/588927578.db2.gz JZMGGGCJXXHBHW-JTQLQIEISA-N 1 2 230.271 1.096 20 0 BDADLO Cc1ccn(C)c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982102 588927724 /nfs/dbraw/zinc/92/77/24/588927724.db2.gz MWCYGIJBFOYKSJ-SNVBAGLBSA-N 1 2 244.298 1.405 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]2C(F)(F)F)nc(N)[nH+]1 ZINC000896086546 583769350 /nfs/dbraw/zinc/76/93/50/583769350.db2.gz AHYKNAHAYCYTNE-NTSWFWBYSA-N 1 2 247.224 1.373 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@H]2C(F)(F)F)[nH+]1 ZINC000896086546 583769352 /nfs/dbraw/zinc/76/93/52/583769352.db2.gz AHYKNAHAYCYTNE-NTSWFWBYSA-N 1 2 247.224 1.373 20 0 BDADLO O=C(Cc1ccoc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857981406 588927944 /nfs/dbraw/zinc/92/79/44/588927944.db2.gz CZPAVCUNOOPHDI-JTQLQIEISA-N 1 2 231.255 1.280 20 0 BDADLO CO[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(C)C ZINC000857981396 588928109 /nfs/dbraw/zinc/92/81/09/588928109.db2.gz CSROPUHOZJJNLV-GXSJLCMTSA-N 1 2 237.303 1.115 20 0 BDADLO O=C1C[C@H](CCNc2cccc[nH+]2)CN1 ZINC000896142502 583774341 /nfs/dbraw/zinc/77/43/41/583774341.db2.gz RYBRXUDJRIPBEP-VIFPVBQESA-N 1 2 205.261 1.020 20 0 BDADLO COc1ccc[nH+]c1NCC[C@@H]1CNC(=O)C1 ZINC000896135051 583775543 /nfs/dbraw/zinc/77/55/43/583775543.db2.gz NVECVXFPMWBGLG-VIFPVBQESA-N 1 2 235.287 1.028 20 0 BDADLO O=C(C[C@@H]1CCCCO1)N[C@H]1CCn2c[nH+]cc21 ZINC000857983451 588928373 /nfs/dbraw/zinc/92/83/73/588928373.db2.gz RZTPNUAKWPHJEC-QWRGUYRKSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CC12CCC2 ZINC000857983639 588928598 /nfs/dbraw/zinc/92/85/98/588928598.db2.gz UICBKTNGXXQARH-NXEZZACHSA-N 1 2 231.299 1.634 20 0 BDADLO O=C(CC[C@H]1CCCO1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984268 588928610 /nfs/dbraw/zinc/92/86/10/588928610.db2.gz APDFVPJOWSMAEX-GHMZBOCLSA-N 1 2 249.314 1.403 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cncc(F)c1 ZINC000857984395 588928754 /nfs/dbraw/zinc/92/87/54/588928754.db2.gz ZRJXFTSKNHQVKV-SNVBAGLBSA-N 1 2 246.245 1.292 20 0 BDADLO CCC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857984355 588928829 /nfs/dbraw/zinc/92/88/29/588928829.db2.gz YXPNREHTVJJHDZ-VIFPVBQESA-N 1 2 219.288 1.634 20 0 BDADLO Cc1ncc(C(=O)N[C@H]2CCn3c[nH+]cc32)s1 ZINC000857983484 588928917 /nfs/dbraw/zinc/92/89/17/588928917.db2.gz ARGAGURTIAGOQK-QMMMGPOBSA-N 1 2 248.311 1.523 20 0 BDADLO CCc1ocnc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857987667 588929075 /nfs/dbraw/zinc/92/90/75/588929075.db2.gz XQZKLXAXSJCPTK-MRVPVSSYSA-N 1 2 246.270 1.308 20 0 BDADLO C[NH+](C)C1(c2nc([C@@H]3CCCOC3)no2)CC1 ZINC000896259210 583785953 /nfs/dbraw/zinc/78/59/53/583785953.db2.gz RNTLYBYOHGIZKG-SECBINFHSA-N 1 2 237.303 1.514 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(O)CCCCC1 ZINC000857985581 588929266 /nfs/dbraw/zinc/92/92/66/588929266.db2.gz IKGSQXHPLJCFPH-SNVBAGLBSA-N 1 2 249.314 1.139 20 0 BDADLO CC(C)OCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857990118 588929891 /nfs/dbraw/zinc/92/98/91/588929891.db2.gz RPXICBDPUBTJMS-JTQLQIEISA-N 1 2 237.303 1.259 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857992413 588930032 /nfs/dbraw/zinc/93/00/32/588930032.db2.gz XXWYRGWIBMKWNA-PQSAUHCHSA-N 1 2 217.272 1.576 20 0 BDADLO O=C(Cc1cccs1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991255 588930150 /nfs/dbraw/zinc/93/01/50/588930150.db2.gz WHKNYHJRNSUHQY-SNVBAGLBSA-N 1 2 247.323 1.748 20 0 BDADLO CC/C(C)=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857941842 588924568 /nfs/dbraw/zinc/92/45/68/588924568.db2.gz OFARKASKOMAEQA-SDKXAQGSSA-N 1 2 233.315 1.670 20 0 BDADLO COC[C@@H](OC)c1noc(C[N@H+](C)C(C)C)n1 ZINC000896637073 583819318 /nfs/dbraw/zinc/81/93/18/583819318.db2.gz PNPAMCPLYMHGPA-SECBINFHSA-N 1 2 243.307 1.244 20 0 BDADLO COC[C@@H](OC)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000896637073 583819321 /nfs/dbraw/zinc/81/93/21/583819321.db2.gz PNPAMCPLYMHGPA-SECBINFHSA-N 1 2 243.307 1.244 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCC2CC=CC2)c1 ZINC000896678548 583823137 /nfs/dbraw/zinc/82/31/37/583823137.db2.gz NIXNEOLPWOHTEC-UHFFFAOYSA-N 1 2 248.330 1.576 20 0 BDADLO OC[C@H]1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000896692046 583823978 /nfs/dbraw/zinc/82/39/78/583823978.db2.gz SMIKGJYEIXLXEP-CZMCAQCFSA-N 1 2 234.303 1.234 20 0 BDADLO OC[C@H]1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000896692046 583823980 /nfs/dbraw/zinc/82/39/80/583823980.db2.gz SMIKGJYEIXLXEP-CZMCAQCFSA-N 1 2 234.303 1.234 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCc2ccc[nH]2)c[nH+]1 ZINC000896713096 583826414 /nfs/dbraw/zinc/82/64/14/583826414.db2.gz SFTXBTVIPGTKKK-UHFFFAOYSA-N 1 2 246.314 1.571 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCC(F)F)c[nH+]1 ZINC000896771355 583832177 /nfs/dbraw/zinc/83/21/77/583832177.db2.gz AUOOVGHXIBWQRL-UHFFFAOYSA-N 1 2 231.246 1.308 20 0 BDADLO CC(=O)C1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000896909197 583852359 /nfs/dbraw/zinc/85/23/59/583852359.db2.gz DJHKPTVOWQLBFA-UHFFFAOYSA-N 1 2 235.287 1.012 20 0 BDADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000858170721 588936906 /nfs/dbraw/zinc/93/69/06/588936906.db2.gz NOESNABOWPXILN-XAVMHZPKSA-N 1 2 242.344 1.265 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)CCC=C(C)C ZINC000896926717 583860202 /nfs/dbraw/zinc/86/02/02/583860202.db2.gz LKZLGHSGWVZETI-JTQLQIEISA-N 1 2 214.309 1.389 20 0 BDADLO Cc1[nH]c(CNC(=O)C2=CCCCO2)[nH+]c1C ZINC000896916568 583854920 /nfs/dbraw/zinc/85/49/20/583854920.db2.gz ZJMRMSNDRZUJCY-UHFFFAOYSA-N 1 2 235.287 1.337 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cc[nH]c2)[nH+]c1C ZINC000896920023 583857433 /nfs/dbraw/zinc/85/74/33/583857433.db2.gz FSXZORWBOIZWMB-UHFFFAOYSA-N 1 2 218.260 1.285 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cccnc2C)[nH+]c1C ZINC000896920235 583857639 /nfs/dbraw/zinc/85/76/39/583857639.db2.gz KBMKJXIPYLTVAV-UHFFFAOYSA-N 1 2 244.298 1.660 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000896925867 583858156 /nfs/dbraw/zinc/85/81/56/583858156.db2.gz CFRBUPTZCORADX-UWVGGRQHSA-N 1 2 214.309 1.078 20 0 BDADLO CONC(=O)C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000896927387 583859191 /nfs/dbraw/zinc/85/91/91/583859191.db2.gz RHNHWPQNTFDBAN-SNVBAGLBSA-N 1 2 228.336 1.470 20 0 BDADLO CC[C@@H](Cc1ccccc1)[NH2+]CC(=O)NOC ZINC000896927361 583859515 /nfs/dbraw/zinc/85/95/15/583859515.db2.gz QOYOOUFQRNVPIM-LBPRGKRZSA-N 1 2 236.315 1.275 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000896926665 583859974 /nfs/dbraw/zinc/85/99/74/583859974.db2.gz JSHIKZVLSCCYNP-ZETCQYMHSA-N 1 2 242.241 1.375 20 0 BDADLO Cc1[nH]c(CNC(=O)CC(F)(F)F)[nH+]c1C ZINC000896926769 583860012 /nfs/dbraw/zinc/86/00/12/583860012.db2.gz GWURPOSEQKWIQB-UHFFFAOYSA-N 1 2 235.209 1.595 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]cn1 ZINC000897071975 583877713 /nfs/dbraw/zinc/87/77/13/583877713.db2.gz QTUGAKVPHJGXTQ-DUYQIWHPSA-N 1 2 246.314 1.130 20 0 BDADLO CN(C)c1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc[nH+]1 ZINC000897071975 583877714 /nfs/dbraw/zinc/87/77/14/583877714.db2.gz QTUGAKVPHJGXTQ-DUYQIWHPSA-N 1 2 246.314 1.130 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1C ZINC000897071629 583877912 /nfs/dbraw/zinc/87/79/12/583877912.db2.gz JUAGKMUFKJADTQ-LVEVGFFFSA-N 1 2 231.299 1.681 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2CC23CC(O)C3)[nH+]1 ZINC000897087446 583878443 /nfs/dbraw/zinc/87/84/43/583878443.db2.gz NKALNRNTPJKSPG-PTAPEHTMSA-N 1 2 234.299 1.460 20 0 BDADLO CCc1cc(N[C@H]2CC23CC(O)C3)nc(CC)[nH+]1 ZINC000897087371 583878542 /nfs/dbraw/zinc/87/85/42/583878542.db2.gz MNYRJDOPUDYBMP-CVZZAPKMSA-N 1 2 247.342 1.927 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CC23CC(O)C3)[nH+]1 ZINC000897087445 583878600 /nfs/dbraw/zinc/87/86/00/583878600.db2.gz NKALNRNTPJKSPG-HGBGAWJVSA-N 1 2 234.299 1.460 20 0 BDADLO COC1(C(F)(F)F)CN(c2cc(C)[nH+]cn2)C1 ZINC000897103112 583881084 /nfs/dbraw/zinc/88/10/84/583881084.db2.gz RASVANXNLYOIAJ-UHFFFAOYSA-N 1 2 247.220 1.553 20 0 BDADLO CO[C@@H]1CC[C@H]1N(C)c1cc[nH+]cc1F ZINC000897142059 583883720 /nfs/dbraw/zinc/88/37/20/583883720.db2.gz FTRSHKYHWHVLMM-GHMZBOCLSA-N 1 2 210.252 1.834 20 0 BDADLO CCC/C(C)=C/C(=O)NCc1[nH+]ccn1C ZINC000728544613 583896472 /nfs/dbraw/zinc/89/64/72/583896472.db2.gz JPVHVNJCQWWBLD-CSKARUKUSA-N 1 2 221.304 1.783 20 0 BDADLO Cc1cc(NC2CC(CCO)C2)nc[nH+]1 ZINC000897233877 583899151 /nfs/dbraw/zinc/89/91/51/583899151.db2.gz HZWLEDXFVXAJJE-UHFFFAOYSA-N 1 2 207.277 1.358 20 0 BDADLO C[C@H](O)c1cccc(NC2CC(CCO)C2)[nH+]1 ZINC000897236546 583899924 /nfs/dbraw/zinc/89/99/24/583899924.db2.gz MTNRIMSIMMTBHS-WHXUTIOJSA-N 1 2 236.315 1.708 20 0 BDADLO Cc1[nH+]cnc(NC2CC(CCO)C2)c1C ZINC000897236807 583900185 /nfs/dbraw/zinc/90/01/85/583900185.db2.gz VPGORUZDJKBYPW-UHFFFAOYSA-N 1 2 221.304 1.666 20 0 BDADLO CCc1cc(NCc2cn(C)nc2OC)nc[nH+]1 ZINC000897243043 583901415 /nfs/dbraw/zinc/90/14/15/583901415.db2.gz YQQIJZVLNYUNJA-UHFFFAOYSA-N 1 2 247.302 1.393 20 0 BDADLO C[C@@H]([NH2+]Cc1cncc(O)c1)c1cnccn1 ZINC000897315717 583918771 /nfs/dbraw/zinc/91/87/71/583918771.db2.gz PRNBCNYNQYEIIC-SECBINFHSA-N 1 2 230.271 1.428 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cncc(O)c2)s1 ZINC000897316368 583919598 /nfs/dbraw/zinc/91/95/98/583919598.db2.gz ZOEFOMPFWZXXQD-UHFFFAOYSA-N 1 2 236.300 1.237 20 0 BDADLO Cc1nc(N[C@H]2CCOC23CCCC3)nc(N)[nH+]1 ZINC000897322327 583921990 /nfs/dbraw/zinc/92/19/90/583921990.db2.gz CQNIYNYPKXWWEH-VIFPVBQESA-N 1 2 249.318 1.276 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCOC23CCCC3)[nH+]1 ZINC000897322327 583921992 /nfs/dbraw/zinc/92/19/92/583921992.db2.gz CQNIYNYPKXWWEH-VIFPVBQESA-N 1 2 249.318 1.276 20 0 BDADLO CO[C@H]1C[C@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000861307429 583956556 /nfs/dbraw/zinc/95/65/56/583956556.db2.gz OOHCTPLKZVTVBL-DCAQKATOSA-N 1 2 238.287 1.555 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1nccn1C ZINC000858194529 588938690 /nfs/dbraw/zinc/93/86/90/588938690.db2.gz DQUYRUIUFDLDIR-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H]2COC[C@H]2C2CC2)[nH+]c1 ZINC000897450671 583985212 /nfs/dbraw/zinc/98/52/12/583985212.db2.gz KCFAFJOSJNGKIE-TVYUQYBPSA-N 1 2 248.326 1.972 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2COC[C@@H]2C2CC2)c1 ZINC000897449577 583986816 /nfs/dbraw/zinc/98/68/16/583986816.db2.gz AOALZMDFMOQGLY-VXGBXAGGSA-N 1 2 234.299 1.411 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(C2CC2)CC1 ZINC000897449331 583986938 /nfs/dbraw/zinc/98/69/38/583986938.db2.gz UUJHUMDJNWHZHZ-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO Fc1c[nH+]ccc1N[C@H]1COC[C@H]1C1CC1 ZINC000897449741 583987572 /nfs/dbraw/zinc/98/75/72/583987572.db2.gz DFVOIGFVSFFIIJ-CABZTGNLSA-N 1 2 222.263 1.480 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OC[C@@H]1C[C@H]1C ZINC000863457055 583991917 /nfs/dbraw/zinc/99/19/17/583991917.db2.gz AAQPEFYYCMGBRD-APPZFPTMSA-N 1 2 227.308 1.056 20 0 BDADLO CCC/C=C\C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729385135 583996824 /nfs/dbraw/zinc/99/68/24/583996824.db2.gz OQKWYQPYAAONLW-FJOGCWAESA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C\C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729385135 583996826 /nfs/dbraw/zinc/99/68/26/583996826.db2.gz OQKWYQPYAAONLW-FJOGCWAESA-N 1 2 240.347 1.180 20 0 BDADLO Cn1nccc1[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000897558319 584018692 /nfs/dbraw/zinc/01/86/92/584018692.db2.gz YBQDKDYQFSUXKO-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000897558319 584018693 /nfs/dbraw/zinc/01/86/93/584018693.db2.gz YBQDKDYQFSUXKO-ZDUSSCGKSA-N 1 2 247.298 1.587 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@H](C)OC)CC(C)C ZINC000842035812 584022022 /nfs/dbraw/zinc/02/20/22/584022022.db2.gz FBYOEUBTEHKYRK-VHSXEESVSA-N 1 2 232.324 1.581 20 0 BDADLO OCCCc1cn(-c2nc(Cl)cs2)c[nH+]1 ZINC000858400476 588951530 /nfs/dbraw/zinc/95/15/30/588951530.db2.gz SJCXPPJEMUHWJV-UHFFFAOYSA-N 1 2 243.719 1.907 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)OC ZINC000897834128 584052625 /nfs/dbraw/zinc/05/26/25/584052625.db2.gz JSPGJKWIYIUJTE-ZJUUUORDSA-N 1 2 229.320 1.343 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OC ZINC000897833943 584052642 /nfs/dbraw/zinc/05/26/42/584052642.db2.gz FDWDXIQLZLOFAB-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OC ZINC000897833942 584052865 /nfs/dbraw/zinc/05/28/65/584052865.db2.gz FDWDXIQLZLOFAB-AXFHLTTASA-N 1 2 229.320 1.485 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(C2CC2)CC1 ZINC000897890285 584057873 /nfs/dbraw/zinc/05/78/73/584057873.db2.gz BZEKMGFWKOGIGR-UHFFFAOYSA-N 1 2 233.315 1.709 20 0 BDADLO CCn1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)nn1 ZINC000898046822 584073631 /nfs/dbraw/zinc/07/36/31/584073631.db2.gz YOGAIGOOMVCQBM-ZYHUDNBSSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1cc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)nn1 ZINC000898046822 584073632 /nfs/dbraw/zinc/07/36/32/584073632.db2.gz YOGAIGOOMVCQBM-ZYHUDNBSSA-N 1 2 238.335 1.155 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000898043271 584080435 /nfs/dbraw/zinc/08/04/35/584080435.db2.gz KHAKTISYCBRPCE-UHFFFAOYSA-N 1 2 242.326 1.594 20 0 BDADLO Cn1cnc(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000898043512 584081251 /nfs/dbraw/zinc/08/12/51/584081251.db2.gz RUBKIACVFJZKNH-UHFFFAOYSA-N 1 2 243.314 1.377 20 0 BDADLO CCn1cc(C[NH+]2CC(Cc3ccoc3)C2)nn1 ZINC000898159266 584087488 /nfs/dbraw/zinc/08/74/88/584087488.db2.gz SOCWIJGXSGLSPX-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898182369 584093051 /nfs/dbraw/zinc/09/30/51/584093051.db2.gz CHGMLKXLKQKMFI-GHMZBOCLSA-N 1 2 243.278 1.583 20 0 BDADLO CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)o1 ZINC000898182369 584093053 /nfs/dbraw/zinc/09/30/53/584093053.db2.gz CHGMLKXLKQKMFI-GHMZBOCLSA-N 1 2 243.278 1.583 20 0 BDADLO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1F ZINC000898187529 584094150 /nfs/dbraw/zinc/09/41/50/584094150.db2.gz GKVWSHPHQLEVPB-ZYHUDNBSSA-N 1 2 243.253 1.436 20 0 BDADLO Oc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1F ZINC000898187529 584094151 /nfs/dbraw/zinc/09/41/51/584094151.db2.gz GKVWSHPHQLEVPB-ZYHUDNBSSA-N 1 2 243.253 1.436 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)sn1 ZINC000898189371 584094897 /nfs/dbraw/zinc/09/48/97/584094897.db2.gz ZQEFPRFHHVKKQJ-NXEZZACHSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)sn1 ZINC000898189371 584094899 /nfs/dbraw/zinc/09/48/99/584094899.db2.gz ZQEFPRFHHVKKQJ-NXEZZACHSA-N 1 2 230.308 1.356 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)s1 ZINC000898191748 584095440 /nfs/dbraw/zinc/09/54/40/584095440.db2.gz FAABPQURVPNZAD-VHSXEESVSA-N 1 2 244.335 1.610 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)s1 ZINC000898191748 584095441 /nfs/dbraw/zinc/09/54/41/584095441.db2.gz FAABPQURVPNZAD-VHSXEESVSA-N 1 2 244.335 1.610 20 0 BDADLO COc1ccc[nH+]c1N1CCOC[C@H](C)C1 ZINC000858456630 588956352 /nfs/dbraw/zinc/95/63/52/588956352.db2.gz JBHQVKZJOXSYDT-SNVBAGLBSA-N 1 2 222.288 1.563 20 0 BDADLO COc1ccc[nH+]c1N1CCOC[C@@H](C)C1 ZINC000858456628 588956419 /nfs/dbraw/zinc/95/64/19/588956419.db2.gz JBHQVKZJOXSYDT-JTQLQIEISA-N 1 2 222.288 1.563 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898486173 584139251 /nfs/dbraw/zinc/13/92/51/584139251.db2.gz ROKXGMPULIPZCD-LBPRGKRZSA-N 1 2 244.354 1.973 20 0 BDADLO CCC(CC)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898486173 584139253 /nfs/dbraw/zinc/13/92/53/584139253.db2.gz ROKXGMPULIPZCD-LBPRGKRZSA-N 1 2 244.354 1.973 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494391 584139912 /nfs/dbraw/zinc/13/99/12/584139912.db2.gz AIRRVMDPSPORSB-QWRGUYRKSA-N 1 2 242.338 1.583 20 0 BDADLO CC1(C)C[C@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494391 584139910 /nfs/dbraw/zinc/13/99/10/584139910.db2.gz AIRRVMDPSPORSB-QWRGUYRKSA-N 1 2 242.338 1.583 20 0 BDADLO OC1(C(F)(F)C[NH2+][C@@H]2CCOC2)CCCCC1 ZINC000898526728 584141537 /nfs/dbraw/zinc/14/15/37/584141537.db2.gz XBFBEJWEODXNEK-SNVBAGLBSA-N 1 2 249.301 1.695 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000898612125 584146140 /nfs/dbraw/zinc/14/61/40/584146140.db2.gz FRMJRANSGNFYLC-PHIMTYICSA-N 1 2 248.330 1.362 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N2CCC2(C)C)c1 ZINC000898629149 584147050 /nfs/dbraw/zinc/14/70/50/584147050.db2.gz ZWDNSJCXQYRFDN-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO CCN(C(=O)NCc1cn(C)c[nH+]1)C1CCC1 ZINC000898629615 584147220 /nfs/dbraw/zinc/14/72/20/584147220.db2.gz QBXGIBGNUJXAOB-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CC(C)(CNC(=O)C1CCCC1)n1cc[nH+]c1 ZINC000898893129 584165088 /nfs/dbraw/zinc/16/50/88/584165088.db2.gz AXFAAHACKMKYEU-UHFFFAOYSA-N 1 2 235.331 1.925 20 0 BDADLO CC(C)(CNC(=O)c1ccncc1)n1cc[nH+]c1 ZINC000898893352 584165360 /nfs/dbraw/zinc/16/53/60/584165360.db2.gz HCBOAOLWUQKPPH-UHFFFAOYSA-N 1 2 244.298 1.443 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)Cc1ccsc1 ZINC000899394297 584209981 /nfs/dbraw/zinc/20/99/81/584209981.db2.gz FUHCPTZXSNZLCG-OAHLLOKOSA-N 1 2 240.353 1.931 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000899415235 584214162 /nfs/dbraw/zinc/21/41/62/584214162.db2.gz SZIWUCFPQNABIY-NDBYEHHHSA-N 1 2 247.342 1.682 20 0 BDADLO CCC(CC)S(=O)(=O)CCc1c[nH+]cn1C ZINC000899474146 584217436 /nfs/dbraw/zinc/21/74/36/584217436.db2.gz POCRZYRSLYLSJI-UHFFFAOYSA-N 1 2 244.360 1.566 20 0 BDADLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000858588375 588967775 /nfs/dbraw/zinc/96/77/75/588967775.db2.gz ZSFWRFXCNWLPHX-JGVFFNPUSA-N 1 2 243.332 1.202 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N(C)CCCF)c[nH+]1 ZINC000899809747 584238712 /nfs/dbraw/zinc/23/87/12/584238712.db2.gz CUQUKFIHZLEXQN-UHFFFAOYSA-N 1 2 241.310 1.745 20 0 BDADLO C[C@H](CCc1ccco1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000899976639 584262604 /nfs/dbraw/zinc/26/26/04/584262604.db2.gz AJPSDSPSYAUPRO-SNVBAGLBSA-N 1 2 247.298 1.683 20 0 BDADLO C[C@H](CCc1ccco1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000899976639 584262607 /nfs/dbraw/zinc/26/26/07/584262607.db2.gz AJPSDSPSYAUPRO-SNVBAGLBSA-N 1 2 247.298 1.683 20 0 BDADLO CC(C)COCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900015073 584266041 /nfs/dbraw/zinc/26/60/41/584266041.db2.gz CMRYEIAXCVXAAU-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO CC(C)COCCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900015073 584266042 /nfs/dbraw/zinc/26/60/42/584266042.db2.gz CMRYEIAXCVXAAU-UHFFFAOYSA-N 1 2 239.319 1.131 20 0 BDADLO C/C(=C\C(=O)NC(C)(C)C)C[NH+]1CCOCC1 ZINC000900092907 584272750 /nfs/dbraw/zinc/27/27/50/584272750.db2.gz RNJXVEXAWXGGOP-PKNBQFBNSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900144037 584277099 /nfs/dbraw/zinc/27/70/99/584277099.db2.gz UHCVRSRWPFVOOT-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC(C)[C@H](C)N(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900360394 584296056 /nfs/dbraw/zinc/29/60/56/584296056.db2.gz MIIORDMOHNAFMY-JTQLQIEISA-N 1 2 235.331 1.988 20 0 BDADLO C[C@@H](c1ccccn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900413798 584305857 /nfs/dbraw/zinc/30/58/57/584305857.db2.gz ZSARIXKLQJQDOC-JTQLQIEISA-N 1 2 244.298 1.567 20 0 BDADLO CN(C(=O)Cc1c[nH+]c[nH]1)C(C1CC1)C1CC1 ZINC000900441521 584311204 /nfs/dbraw/zinc/31/12/04/584311204.db2.gz OSDXPUKEJFCARN-UHFFFAOYSA-N 1 2 233.315 1.599 20 0 BDADLO CN(C[C@@H]1CCCO1)C(=O)CNc1cccc[nH+]1 ZINC000900513453 584320319 /nfs/dbraw/zinc/32/03/19/584320319.db2.gz WYAGQRUGYHCTSF-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900517019 584320566 /nfs/dbraw/zinc/32/05/66/584320566.db2.gz RAZAVKMODMTTHI-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO COCc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000900554453 584322579 /nfs/dbraw/zinc/32/25/79/584322579.db2.gz XHMRYBKDNGYDFU-UHFFFAOYSA-N 1 2 218.260 1.176 20 0 BDADLO COC(=O)C1=CC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000858692157 588974777 /nfs/dbraw/zinc/97/47/77/588974777.db2.gz NGTJZKWWMSVNPC-JTQLQIEISA-N 1 2 233.271 1.459 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000900712505 584343627 /nfs/dbraw/zinc/34/36/27/584343627.db2.gz HUZRGRXWXAAYJV-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000900712505 584343628 /nfs/dbraw/zinc/34/36/28/584343628.db2.gz HUZRGRXWXAAYJV-VIFPVBQESA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCC[C@H](C)C1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900740285 584347786 /nfs/dbraw/zinc/34/77/86/584347786.db2.gz VHGHVTXBSHADPZ-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H]1CCC[C@H](C)C1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900740285 584347787 /nfs/dbraw/zinc/34/77/87/584347787.db2.gz VHGHVTXBSHADPZ-UWVGGRQHSA-N 1 2 235.331 1.893 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900909306 584364971 /nfs/dbraw/zinc/36/49/71/584364971.db2.gz QHJVZCJMUQFTJW-KOLCDFICSA-N 1 2 221.304 1.599 20 0 BDADLO CC[C@@H](O)[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001596 584373703 /nfs/dbraw/zinc/37/37/03/584373703.db2.gz YCEDYQYMAOBCOX-GMSGAONNSA-N 1 2 239.319 1.050 20 0 BDADLO CN(CCOC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000901116754 584386333 /nfs/dbraw/zinc/38/63/33/584386333.db2.gz JMTPZUOWYTZEFW-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO C[C@H](NC(=O)CNc1cccc[nH+]1)c1cn[nH]c1 ZINC000901217113 584401807 /nfs/dbraw/zinc/40/18/07/584401807.db2.gz NDNUTETWBNUBNG-VIFPVBQESA-N 1 2 245.286 1.094 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000901266697 584418453 /nfs/dbraw/zinc/41/84/53/584418453.db2.gz RBMBKTNNAWJYOU-LBPRGKRZSA-N 1 2 245.326 1.752 20 0 BDADLO CC[C@H]1CC[C@@H](C)N1C(=O)Cc1c[nH+]c[nH]1 ZINC000901308258 584420381 /nfs/dbraw/zinc/42/03/81/584420381.db2.gz ZOCLISMMFJFXHF-KOLCDFICSA-N 1 2 221.304 1.742 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)NCC(=O)C1CC1 ZINC000901295911 584423365 /nfs/dbraw/zinc/42/33/65/584423365.db2.gz OEBIWKBRMJJNMN-UHFFFAOYSA-N 1 2 247.298 1.141 20 0 BDADLO c1c([C@@H]2CCCO2)noc1[C@@H]1COCC[NH2+]1 ZINC000901392882 584437608 /nfs/dbraw/zinc/43/76/08/584437608.db2.gz MUAJIFCWGATDDX-UWVGGRQHSA-N 1 2 224.260 1.187 20 0 BDADLO CC[N@H+](CC(=O)[O-])Cc1c[nH+]c2ccc(C)cn12 ZINC000901426481 584442515 /nfs/dbraw/zinc/44/25/15/584442515.db2.gz JCPDXJBCOXHSLC-UHFFFAOYSA-N 1 2 247.298 1.549 20 0 BDADLO CC[N@@H+](CC(=O)[O-])Cc1c[nH+]c2ccc(C)cn12 ZINC000901426481 584442517 /nfs/dbraw/zinc/44/25/17/584442517.db2.gz JCPDXJBCOXHSLC-UHFFFAOYSA-N 1 2 247.298 1.549 20 0 BDADLO CC(C)([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000901489057 584452448 /nfs/dbraw/zinc/45/24/48/584452448.db2.gz MRSLZLVSTSCZNQ-UHFFFAOYSA-N 1 2 233.271 1.287 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@]1(C)CCCCO1)C1CC1 ZINC000901603477 584468459 /nfs/dbraw/zinc/46/84/59/584468459.db2.gz NYXYGIIUKCIFSD-YPMHNXCESA-N 1 2 241.331 1.487 20 0 BDADLO CCC[C@@H](NCc1cn(C)c[nH+]1)C(=O)OCC ZINC000901684035 584480707 /nfs/dbraw/zinc/48/07/07/584480707.db2.gz SRSKPKPUOAXZIT-LLVKDONJSA-N 1 2 239.319 1.242 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859068870 588996799 /nfs/dbraw/zinc/99/67/99/588996799.db2.gz UNOHWNPGWJSTGA-SNVBAGLBSA-N 1 2 237.278 1.061 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccnc(F)c1 ZINC000859068870 588996800 /nfs/dbraw/zinc/99/68/00/588996800.db2.gz UNOHWNPGWJSTGA-SNVBAGLBSA-N 1 2 237.278 1.061 20 0 BDADLO CCNc1ccccc1C[NH2+]Cc1nncn1C ZINC000902064606 584522136 /nfs/dbraw/zinc/52/21/36/584522136.db2.gz WFPBVRJYDONBCR-UHFFFAOYSA-N 1 2 245.330 1.537 20 0 BDADLO COc1ccc(CNc2cc[nH+]c(C)n2)o1 ZINC000902126977 584529398 /nfs/dbraw/zinc/52/93/98/584529398.db2.gz KLQONTICNABOKB-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCc1ccns1 ZINC000902222280 584540286 /nfs/dbraw/zinc/54/02/86/584540286.db2.gz YRFZWPZFILMVCK-UHFFFAOYSA-N 1 2 243.332 1.609 20 0 BDADLO CCn1c[nH+]c(CNc2ccn(CCOC)n2)c1 ZINC000902244500 584546407 /nfs/dbraw/zinc/54/64/07/584546407.db2.gz YTZUPAMIBMIJTB-UHFFFAOYSA-N 1 2 249.318 1.358 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2CCOC2=O)C1 ZINC000902278327 584550578 /nfs/dbraw/zinc/55/05/78/584550578.db2.gz SYSCUBQIEGECJB-SNVBAGLBSA-N 1 2 216.256 1.220 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2CCOC2=O)C1 ZINC000902278327 584550580 /nfs/dbraw/zinc/55/05/80/584550580.db2.gz SYSCUBQIEGECJB-SNVBAGLBSA-N 1 2 216.256 1.220 20 0 BDADLO Cn1c[nH+]cc1CNc1noc2c1CCCC2 ZINC000902278159 584550919 /nfs/dbraw/zinc/55/09/19/584550919.db2.gz QUBUKEBWAMEOTM-UHFFFAOYSA-N 1 2 232.287 1.899 20 0 BDADLO CC(C)(C)OC(=O)NOCc1ccc(N)[nH+]c1 ZINC000902296689 584552732 /nfs/dbraw/zinc/55/27/32/584552732.db2.gz HQMLCJNAWKVPIY-UHFFFAOYSA-N 1 2 239.275 1.620 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CN1CCOC1=O)CC2 ZINC000902312730 584555152 /nfs/dbraw/zinc/55/51/52/584555152.db2.gz MHFNDKKRQZOWAJ-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CN1CCOC1=O)CC2 ZINC000902312730 584555153 /nfs/dbraw/zinc/55/51/53/584555153.db2.gz MHFNDKKRQZOWAJ-UHFFFAOYSA-N 1 2 246.310 1.763 20 0 BDADLO c1cc(OC[C@H]2C[C@]23CCOC3)cc[nH+]1 ZINC000902357695 584569887 /nfs/dbraw/zinc/56/98/87/584569887.db2.gz VSEUAOVMVUGOMG-PWSUYJOCSA-N 1 2 205.257 1.887 20 0 BDADLO CN(C)c1ccc(COCc2ncc[nH]2)c[nH+]1 ZINC000902400775 584587070 /nfs/dbraw/zinc/58/70/70/584587070.db2.gz ZNRZECVIMDPZKY-UHFFFAOYSA-N 1 2 232.287 1.588 20 0 BDADLO CCOC(=O)NOCc1ccc(N(C)C)[nH+]c1 ZINC000902450282 584606887 /nfs/dbraw/zinc/60/68/87/584606887.db2.gz JJSCYNAZNMECFX-UHFFFAOYSA-N 1 2 239.275 1.325 20 0 BDADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1csc(N)n1 ZINC000902489246 584627382 /nfs/dbraw/zinc/62/73/82/584627382.db2.gz JZOUXJIWGMACDR-ZCFIWIBFSA-N 1 2 237.332 1.608 20 0 BDADLO CCO[C@H]1CC[N@H+](Cn2ncn(C)c2=S)C1 ZINC000902528818 584632637 /nfs/dbraw/zinc/63/26/37/584632637.db2.gz QSYMFABAPUBOAP-VIFPVBQESA-N 1 2 242.348 1.019 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000902528818 584632638 /nfs/dbraw/zinc/63/26/38/584632638.db2.gz QSYMFABAPUBOAP-VIFPVBQESA-N 1 2 242.348 1.019 20 0 BDADLO c1cc2cc(OCC3OCCO3)ccc2c[nH+]1 ZINC000902636300 584648359 /nfs/dbraw/zinc/64/83/59/584648359.db2.gz BQNLFQJLJZTTBZ-UHFFFAOYSA-N 1 2 231.251 1.987 20 0 BDADLO CC(=O)NC(C)(C)C(N)=[NH+]OCC1CC(C)C1 ZINC000902710459 584657494 /nfs/dbraw/zinc/65/74/94/584657494.db2.gz GUHFCONOFSWIDA-UHFFFAOYSA-N 1 2 241.335 1.446 20 0 BDADLO F[C@@H]1CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000902990785 584709348 /nfs/dbraw/zinc/70/93/48/584709348.db2.gz GJDVYEPRPRUGGS-SECBINFHSA-N 1 2 239.294 1.416 20 0 BDADLO F[C@@H]1CCC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000902990785 584709350 /nfs/dbraw/zinc/70/93/50/584709350.db2.gz GJDVYEPRPRUGGS-SECBINFHSA-N 1 2 239.294 1.416 20 0 BDADLO O=[S@](CC[N@H+]1CCC[C@H](F)C1)C(F)(F)F ZINC000902991070 584709480 /nfs/dbraw/zinc/70/94/80/584709480.db2.gz KBJCLFKUTDFOKS-NZFNHWASSA-N 1 2 247.257 1.689 20 0 BDADLO O=[S@](CC[N@@H+]1CCC[C@H](F)C1)C(F)(F)F ZINC000902991070 584709481 /nfs/dbraw/zinc/70/94/81/584709481.db2.gz KBJCLFKUTDFOKS-NZFNHWASSA-N 1 2 247.257 1.689 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000902991352 584709719 /nfs/dbraw/zinc/70/97/19/584709719.db2.gz PEKXFMQVKRWISY-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1CCC[C@@H](F)C1 ZINC000902991352 584709720 /nfs/dbraw/zinc/70/97/20/584709720.db2.gz PEKXFMQVKRWISY-SNVBAGLBSA-N 1 2 211.284 1.662 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](F)C1 ZINC000903001107 584715306 /nfs/dbraw/zinc/71/53/06/584715306.db2.gz KBWULKKGCBDGCT-MNOVXSKESA-N 1 2 242.338 1.868 20 0 BDADLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](F)C1 ZINC000903001107 584715307 /nfs/dbraw/zinc/71/53/07/584715307.db2.gz KBWULKKGCBDGCT-MNOVXSKESA-N 1 2 242.338 1.868 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000736 584715446 /nfs/dbraw/zinc/71/54/46/584715446.db2.gz IKDUXPDUVOAHTQ-GHMZBOCLSA-N 1 2 230.327 1.725 20 0 BDADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000736 584715448 /nfs/dbraw/zinc/71/54/48/584715448.db2.gz IKDUXPDUVOAHTQ-GHMZBOCLSA-N 1 2 230.327 1.725 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000611 584715543 /nfs/dbraw/zinc/71/55/43/584715543.db2.gz HQFMCVLDDAGPCD-UWVGGRQHSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](F)C1 ZINC000903000611 584715545 /nfs/dbraw/zinc/71/55/45/584715545.db2.gz HQFMCVLDDAGPCD-UWVGGRQHSA-N 1 2 230.327 1.724 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002179 584715978 /nfs/dbraw/zinc/71/59/78/584715978.db2.gz XKGNICPJMOLKFC-DTWKUNHWSA-N 1 2 214.284 1.087 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](F)C1 ZINC000903002179 584715980 /nfs/dbraw/zinc/71/59/80/584715980.db2.gz XKGNICPJMOLKFC-DTWKUNHWSA-N 1 2 214.284 1.087 20 0 BDADLO Cc1nonc1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000903040550 584720289 /nfs/dbraw/zinc/72/02/89/584720289.db2.gz RFVMTFLYKFDRJN-UHFFFAOYSA-N 1 2 246.270 1.951 20 0 BDADLO Cc1ccc(N[C@@H]2CCO[C@@]23CCOC3)c[nH+]1 ZINC000903140056 584730876 /nfs/dbraw/zinc/73/08/76/584730876.db2.gz ZOOZMOZGRYEFDZ-CHWSQXEVSA-N 1 2 234.299 1.750 20 0 BDADLO Cc1cc([C@H](C)NCc2cn(C)c[nH+]2)nn1C ZINC000903351373 584755222 /nfs/dbraw/zinc/75/52/22/584755222.db2.gz KGTVNNYQZHTTIK-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@H](C)[NH2+]Cc2cn(C)cn2)nn1C ZINC000903351373 584755224 /nfs/dbraw/zinc/75/52/24/584755224.db2.gz KGTVNNYQZHTTIK-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC000903397351 584757583 /nfs/dbraw/zinc/75/75/83/584757583.db2.gz XGLHRXKRTRBEPA-LAEOZQHASA-N 1 2 209.293 1.404 20 0 BDADLO CCCOC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000859173541 589013793 /nfs/dbraw/zinc/01/37/93/589013793.db2.gz VZPGMJMIPIANFA-QMMMGPOBSA-N 1 2 209.249 1.464 20 0 BDADLO C[C@@H](OC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000904087158 584840890 /nfs/dbraw/zinc/84/08/90/584840890.db2.gz ZWNPSQFKUGRJTD-SSJHQANKSA-N 1 2 220.272 1.775 20 0 BDADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2CCCO2)n1 ZINC000904258610 584859487 /nfs/dbraw/zinc/85/94/87/584859487.db2.gz PSYVINNWIBBROR-VIFPVBQESA-N 1 2 246.270 1.874 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)nn1 ZINC000904371328 584873483 /nfs/dbraw/zinc/87/34/83/584873483.db2.gz MRUKIZJSUAHQOV-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)nn1 ZINC000904371328 584873484 /nfs/dbraw/zinc/87/34/84/584873484.db2.gz MRUKIZJSUAHQOV-LBPRGKRZSA-N 1 2 248.330 1.060 20 0 BDADLO CCc1nc(C[NH2+]Cc2ccc(N)nn2)cs1 ZINC000904364213 584874249 /nfs/dbraw/zinc/87/42/49/584874249.db2.gz IOBBXWDBANPESI-UHFFFAOYSA-N 1 2 249.343 1.368 20 0 BDADLO CC[C@H](C)C(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803496420 584888479 /nfs/dbraw/zinc/88/84/79/584888479.db2.gz CURMSHQSEFIFSB-JQWIXIFHSA-N 1 2 243.347 1.731 20 0 BDADLO C[N@H+](Cn1cccnc1=S)[C@H]1CCOC1 ZINC000730259895 584897069 /nfs/dbraw/zinc/89/70/69/584897069.db2.gz XTRNBUBFJGGQDS-VIFPVBQESA-N 1 2 225.317 1.291 20 0 BDADLO C[N@@H+](Cn1cccnc1=S)[C@H]1CCOC1 ZINC000730259895 584897070 /nfs/dbraw/zinc/89/70/70/584897070.db2.gz XTRNBUBFJGGQDS-VIFPVBQESA-N 1 2 225.317 1.291 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000828529860 584903496 /nfs/dbraw/zinc/90/34/96/584903496.db2.gz WNSVMCBCLXWIRV-SSDOTTSWSA-N 1 2 219.210 1.794 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000828529860 584903497 /nfs/dbraw/zinc/90/34/97/584903497.db2.gz WNSVMCBCLXWIRV-SSDOTTSWSA-N 1 2 219.210 1.794 20 0 BDADLO Cc1cnc(CC[NH2+][C@]2(C)CCOC2=O)c(C)c1 ZINC000828555500 584904055 /nfs/dbraw/zinc/90/40/55/584904055.db2.gz SQKAVNLVMCRJDT-CQSZACIVSA-N 1 2 248.326 1.536 20 0 BDADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1nccn1C ZINC000186517733 584912169 /nfs/dbraw/zinc/91/21/69/584912169.db2.gz GERGOCBMHVDYNF-MNOVXSKESA-N 1 2 249.314 1.787 20 0 BDADLO CCCC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000738653415 584916464 /nfs/dbraw/zinc/91/64/64/584916464.db2.gz YWETVFBOFSZMJG-UHFFFAOYSA-N 1 2 246.266 1.860 20 0 BDADLO Cc1noc(C[NH+]2CCC(n3cccn3)CC2)n1 ZINC000731355251 584925439 /nfs/dbraw/zinc/92/54/39/584925439.db2.gz MHZDHZUILSVXEY-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1=COCCC1 ZINC000732094543 584933700 /nfs/dbraw/zinc/93/37/00/584933700.db2.gz QLPWFINJIVKJCX-UHFFFAOYSA-N 1 2 221.260 1.062 20 0 BDADLO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)on1 ZINC000660266544 584945745 /nfs/dbraw/zinc/94/57/45/584945745.db2.gz CUJIHAIVBGKGFU-QMMMGPOBSA-N 1 2 236.275 1.268 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cnsn1 ZINC000733968757 584955848 /nfs/dbraw/zinc/95/58/48/584955848.db2.gz WVWTZFXNFXWVIC-UHFFFAOYSA-N 1 2 245.267 1.438 20 0 BDADLO Cc1nonc1C[NH+]1CCC(n2cccn2)CC1 ZINC000734148748 584957896 /nfs/dbraw/zinc/95/78/96/584957896.db2.gz JYDYGDQSSLLQKZ-UHFFFAOYSA-N 1 2 247.302 1.412 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn[nH]2)Cc2ccccc21 ZINC000734538650 584963660 /nfs/dbraw/zinc/96/36/60/584963660.db2.gz OYBCVTYBUJYYHJ-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn[nH]2)Cc2ccccc21 ZINC000734538650 584963661 /nfs/dbraw/zinc/96/36/61/584963661.db2.gz OYBCVTYBUJYYHJ-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c[nH]nn2)Cc2ccccc21 ZINC000734538650 584963662 /nfs/dbraw/zinc/96/36/62/584963662.db2.gz OYBCVTYBUJYYHJ-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c[nH]nn2)Cc2ccccc21 ZINC000734538650 584963663 /nfs/dbraw/zinc/96/36/63/584963663.db2.gz OYBCVTYBUJYYHJ-SNVBAGLBSA-N 1 2 228.299 1.924 20 0 BDADLO NC(=[NH+]OCC1CCOCC1)c1ccccc1 ZINC000735488405 584977817 /nfs/dbraw/zinc/97/78/17/584977817.db2.gz JMMULVGKINDVAW-UHFFFAOYSA-N 1 2 234.299 1.960 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CC23CC3)CCO1 ZINC000817232848 584983893 /nfs/dbraw/zinc/98/38/93/584983893.db2.gz MKVFXGZLZSBNDE-MNOVXSKESA-N 1 2 239.315 1.050 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CC23CC3)CCO1 ZINC000817232848 584983894 /nfs/dbraw/zinc/98/38/94/584983894.db2.gz MKVFXGZLZSBNDE-MNOVXSKESA-N 1 2 239.315 1.050 20 0 BDADLO CC[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000352963660 585016344 /nfs/dbraw/zinc/01/63/44/585016344.db2.gz WXGCYTIMDWNPDL-LLVKDONJSA-N 1 2 221.304 1.743 20 0 BDADLO CC[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000352963660 585016345 /nfs/dbraw/zinc/01/63/45/585016345.db2.gz WXGCYTIMDWNPDL-LLVKDONJSA-N 1 2 221.304 1.743 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C(F)=C2CCC2)c1 ZINC000890103773 585023402 /nfs/dbraw/zinc/02/34/02/585023402.db2.gz CUZGNUZKFBRMFM-UHFFFAOYSA-N 1 2 223.251 1.444 20 0 BDADLO C[C@H]1CC=C(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000890104940 585023514 /nfs/dbraw/zinc/02/35/14/585023514.db2.gz UOTDHZGEUUTVBJ-JTQLQIEISA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107654 585023683 /nfs/dbraw/zinc/02/36/83/585023683.db2.gz OREZFPHQXHISAG-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCCC2CC2)c1 ZINC000890107862 585023742 /nfs/dbraw/zinc/02/37/42/585023742.db2.gz SRWLWHBJFKWMIE-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@]12C[C@H]1CCC2 ZINC000885997647 585033395 /nfs/dbraw/zinc/03/33/95/585033395.db2.gz XZBGBJVPGJNMCM-MFKMUULPSA-N 1 2 233.315 1.269 20 0 BDADLO C/C=C\C(=O)NCCCCNc1cccc[nH+]1 ZINC000737843611 585038740 /nfs/dbraw/zinc/03/87/40/585038740.db2.gz XHPDDAPMEJTJHR-UQCOIBPSSA-N 1 2 233.315 1.966 20 0 BDADLO CC/C(C)=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838044150 585043652 /nfs/dbraw/zinc/04/36/52/585043652.db2.gz NAUAKHMHQMFVHW-MMRAYRKESA-N 1 2 241.331 1.607 20 0 BDADLO CC/C(C)=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000838044150 585043653 /nfs/dbraw/zinc/04/36/53/585043653.db2.gz NAUAKHMHQMFVHW-MMRAYRKESA-N 1 2 241.331 1.607 20 0 BDADLO Cc1ccc(COC(=O)[C@H](O)C2CCC2)c(C)[nH+]1 ZINC000838313317 585052920 /nfs/dbraw/zinc/05/29/20/585052920.db2.gz SKLRCTMHULZUBT-CYBMUJFWSA-N 1 2 249.310 1.903 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838454631 585058555 /nfs/dbraw/zinc/05/85/55/585058555.db2.gz WVFKTHNLEBZGBP-HBNTYKKESA-N 1 2 248.282 1.042 20 0 BDADLO CCC1(NC(=O)N[C@H]2CCn3cc[nH+]c32)CCC1 ZINC000838638690 585064108 /nfs/dbraw/zinc/06/41/08/585064108.db2.gz KDSGHVNZOUJAPP-JTQLQIEISA-N 1 2 248.330 1.960 20 0 BDADLO CCC1(NC(=O)N[C@@H]2CCn3cc[nH+]c32)CCC1 ZINC000838638691 585064124 /nfs/dbraw/zinc/06/41/24/585064124.db2.gz KDSGHVNZOUJAPP-SNVBAGLBSA-N 1 2 248.330 1.960 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CCCCCC1 ZINC000838634587 585064165 /nfs/dbraw/zinc/06/41/65/585064165.db2.gz NJLLRGOLXSIEBQ-LLVKDONJSA-N 1 2 248.330 1.914 20 0 BDADLO CCn1ncc(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC000838802133 585069425 /nfs/dbraw/zinc/06/94/25/585069425.db2.gz MAWCXHBKMCSVQR-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000838802133 585069426 /nfs/dbraw/zinc/06/94/26/585069426.db2.gz MAWCXHBKMCSVQR-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CO[C@@H](C[NH2+]Cc1cc(C)on1)C(F)(F)F ZINC000838940912 585081887 /nfs/dbraw/zinc/08/18/87/585081887.db2.gz GTGDBVUMRXGYKZ-QMMMGPOBSA-N 1 2 238.209 1.650 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2cccc(O)c2)n1 ZINC000838938121 585082039 /nfs/dbraw/zinc/08/20/39/585082039.db2.gz VMLRKDMRODBDKC-SNVBAGLBSA-N 1 2 246.314 1.854 20 0 BDADLO CC(=O)OCc1ccc[nH+]c1N1CCCC1 ZINC000838963048 585082174 /nfs/dbraw/zinc/08/21/74/585082174.db2.gz CBSIYLWVTFEOTO-UHFFFAOYSA-N 1 2 220.272 1.745 20 0 BDADLO Cc1nn(C)c(Cl)c1C[NH+]1CC(C)(CO)C1 ZINC000839145513 585092173 /nfs/dbraw/zinc/09/21/73/585092173.db2.gz MRLGKCKHKPWAPY-UHFFFAOYSA-N 1 2 243.738 1.196 20 0 BDADLO CCn1ncc(C[N@@H+]2CCCC[C@H]2COC)n1 ZINC000839130764 585093714 /nfs/dbraw/zinc/09/37/14/585093714.db2.gz XSZOWSVTJUMWQM-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+]2CCCC[C@H]2COC)n1 ZINC000839130764 585093715 /nfs/dbraw/zinc/09/37/15/585093715.db2.gz XSZOWSVTJUMWQM-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO COC1C[NH+](Cc2ccccc2-n2cncn2)C1 ZINC000839128179 585093833 /nfs/dbraw/zinc/09/38/33/585093833.db2.gz NIODYVRNTPMCQQ-UHFFFAOYSA-N 1 2 244.298 1.098 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2ccc(F)nc2)C1 ZINC000839133442 585094080 /nfs/dbraw/zinc/09/40/80/585094080.db2.gz PDMTWHABMRFHOQ-UHFFFAOYSA-N 1 2 224.279 1.423 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000839192114 585097268 /nfs/dbraw/zinc/09/72/68/585097268.db2.gz LCLXOPBQZDWMHR-UWVGGRQHSA-N 1 2 238.360 1.296 20 0 BDADLO CCn1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)n1 ZINC000839192114 585097269 /nfs/dbraw/zinc/09/72/69/585097269.db2.gz LCLXOPBQZDWMHR-UWVGGRQHSA-N 1 2 238.360 1.296 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000839197755 585098771 /nfs/dbraw/zinc/09/87/71/585098771.db2.gz CMLMXZWEHIOICR-MXWKQRLJSA-N 1 2 229.320 1.485 20 0 BDADLO CC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000740716506 585105679 /nfs/dbraw/zinc/10/56/79/585105679.db2.gz XAGXQHGBAHQNFS-UHFFFAOYSA-N 1 2 241.360 1.032 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(C)(C)C ZINC000741145647 585110484 /nfs/dbraw/zinc/11/04/84/585110484.db2.gz YWEXDDHTNQQKMO-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)C(C)(C)C ZINC000741145647 585110485 /nfs/dbraw/zinc/11/04/85/585110485.db2.gz YWEXDDHTNQQKMO-SNVBAGLBSA-N 1 2 241.331 1.629 20 0 BDADLO CC1(CO[NH+]=C(N)c2cccc(F)c2)COC1 ZINC000742356367 585124847 /nfs/dbraw/zinc/12/48/47/585124847.db2.gz NFDUOFIXCUEDSG-UHFFFAOYSA-N 1 2 238.262 1.709 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccno1 ZINC000742364788 585124888 /nfs/dbraw/zinc/12/48/88/585124888.db2.gz GBQYMFWYVIAJDT-VIFPVBQESA-N 1 2 241.291 1.734 20 0 BDADLO Cc1nonc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000742419923 585126019 /nfs/dbraw/zinc/12/60/19/585126019.db2.gz VTSYQTDRECZMJL-UHFFFAOYSA-N 1 2 245.286 1.966 20 0 BDADLO O=C1N[C@H](c2c[nH]c[nH+]2)Nc2cc(F)ccc21 ZINC000742443193 585126234 /nfs/dbraw/zinc/12/62/34/585126234.db2.gz WGQXSBSGTVKXKS-SNVBAGLBSA-N 1 2 232.218 1.403 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC1(Cl)Cl ZINC000743273034 585134513 /nfs/dbraw/zinc/13/45/13/585134513.db2.gz MSECQKQVHMFNJY-ZETCQYMHSA-N 1 2 240.130 1.675 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC1(Cl)Cl ZINC000743273034 585134514 /nfs/dbraw/zinc/13/45/14/585134514.db2.gz MSECQKQVHMFNJY-ZETCQYMHSA-N 1 2 240.130 1.675 20 0 BDADLO C[C@@H]1C[N@H+](Cn2cc[nH]c2=S)CCCO1 ZINC000743368821 585136017 /nfs/dbraw/zinc/13/60/17/585136017.db2.gz SIOOADJNEVGTKG-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2cc[nH]c2=S)CCCO1 ZINC000743368821 585136018 /nfs/dbraw/zinc/13/60/18/585136018.db2.gz SIOOADJNEVGTKG-SECBINFHSA-N 1 2 227.333 1.240 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCSC2=O)C[C@H](C)S1 ZINC000743378209 585136303 /nfs/dbraw/zinc/13/63/03/585136303.db2.gz UWQUBRIHZFEOBS-DTORHVGOSA-N 1 2 246.401 1.939 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCSC2=O)C[C@H](C)S1 ZINC000743378209 585136304 /nfs/dbraw/zinc/13/63/04/585136304.db2.gz UWQUBRIHZFEOBS-DTORHVGOSA-N 1 2 246.401 1.939 20 0 BDADLO C[C@@H]1C[NH+](CN2CCSC2=O)C[C@@H](C)S1 ZINC000743378219 585136336 /nfs/dbraw/zinc/13/63/36/585136336.db2.gz UWQUBRIHZFEOBS-RKDXNWHRSA-N 1 2 246.401 1.939 20 0 BDADLO C/C=C(\CC)C(=O)OCC[NH+]1CCOCC1 ZINC000789225330 585139107 /nfs/dbraw/zinc/13/91/07/585139107.db2.gz AWULOEIMWXPHQQ-QDEBKDIKSA-N 1 2 227.304 1.218 20 0 BDADLO CC[C@H]1C[N@H+](Cc2nonc2C)CCS1 ZINC000744424222 585150411 /nfs/dbraw/zinc/15/04/11/585150411.db2.gz IMIFMPYJJMQFAY-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2nonc2C)CCS1 ZINC000744424222 585150412 /nfs/dbraw/zinc/15/04/12/585150412.db2.gz IMIFMPYJJMQFAY-VIFPVBQESA-N 1 2 227.333 1.705 20 0 BDADLO Cc1cccn2cc(CC(=O)OCCF)[nH+]c12 ZINC000745001102 585155241 /nfs/dbraw/zinc/15/52/41/585155241.db2.gz VBVPERPRPNATQW-UHFFFAOYSA-N 1 2 236.246 1.698 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCCC1=O ZINC000745080645 585156119 /nfs/dbraw/zinc/15/61/19/585156119.db2.gz WZHRGJMSXWORLK-JQWIXIFHSA-N 1 2 239.315 1.526 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCCC1=O ZINC000745080645 585156120 /nfs/dbraw/zinc/15/61/20/585156120.db2.gz WZHRGJMSXWORLK-JQWIXIFHSA-N 1 2 239.315 1.526 20 0 BDADLO CC(C)(C)SCCNC(=O)Cn1cc[nH+]c1 ZINC000746206363 585165560 /nfs/dbraw/zinc/16/55/60/585165560.db2.gz URTPZDFIZLFQBI-UHFFFAOYSA-N 1 2 241.360 1.531 20 0 BDADLO CCC/C(C)=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000746241764 585166328 /nfs/dbraw/zinc/16/63/28/585166328.db2.gz CAUNYSLUUDBYDU-KTKRTIGZSA-N 1 2 221.304 1.815 20 0 BDADLO C[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000746243405 585166347 /nfs/dbraw/zinc/16/63/47/585166347.db2.gz VNUHLPMQUSABBA-VIFPVBQESA-N 1 2 221.304 1.505 20 0 BDADLO C/C=C\C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746540087 585169923 /nfs/dbraw/zinc/16/99/23/585169923.db2.gz QFFLXQJEVPFYJY-HYXAFXHYSA-N 1 2 243.310 1.878 20 0 BDADLO CC[C@H](SC)C(=O)OCc1c[nH+]cn1C ZINC000747248775 585177294 /nfs/dbraw/zinc/17/72/94/585177294.db2.gz JNPVUMDTOUTMLW-VIFPVBQESA-N 1 2 228.317 1.605 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ccoc1 ZINC000747780774 585184219 /nfs/dbraw/zinc/18/42/19/585184219.db2.gz JBTANMPQMZPMDV-UHFFFAOYSA-N 1 2 206.201 1.370 20 0 BDADLO Cn1c[nH+]cc1COC(=O)C1CCCC1 ZINC000747781353 585184370 /nfs/dbraw/zinc/18/43/70/585184370.db2.gz JTGXTTCAYSRPFZ-UHFFFAOYSA-N 1 2 208.261 1.654 20 0 BDADLO COCC1([N@H+](C)Cc2cnns2)CC1 ZINC000859216274 589020049 /nfs/dbraw/zinc/02/00/49/589020049.db2.gz HTLHCINDWQFPTO-UHFFFAOYSA-N 1 2 213.306 1.149 20 0 BDADLO COCC1([N@@H+](C)Cc2cnns2)CC1 ZINC000859216274 589020050 /nfs/dbraw/zinc/02/00/50/589020050.db2.gz HTLHCINDWQFPTO-UHFFFAOYSA-N 1 2 213.306 1.149 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2occc2[nH]1 ZINC000750864063 585220791 /nfs/dbraw/zinc/22/07/91/585220791.db2.gz DYYCUTHDXSGRGB-UHFFFAOYSA-N 1 2 244.254 1.756 20 0 BDADLO CC(C)c1nnnn1Cc1[nH+]ccn1C(F)F ZINC000751259525 585226098 /nfs/dbraw/zinc/22/60/98/585226098.db2.gz JXKAULSYNVDQPQ-UHFFFAOYSA-N 1 2 242.233 1.436 20 0 BDADLO C/C=C(\C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000751349350 585227091 /nfs/dbraw/zinc/22/70/91/585227091.db2.gz MUSLDEJPVLFLSS-QDEBKDIKSA-N 1 2 247.342 1.844 20 0 BDADLO Cn1c[nH+]cc1Cn1nnc(-c2cccs2)n1 ZINC000753117070 585253937 /nfs/dbraw/zinc/25/39/37/585253937.db2.gz GXDSVDQJSZVMEI-UHFFFAOYSA-N 1 2 246.299 1.183 20 0 BDADLO C[C@@H]1CC/C(=C\C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000753607353 585263739 /nfs/dbraw/zinc/26/37/39/585263739.db2.gz DDQCDGUNSFKCKG-OYVNLZQHSA-N 1 2 233.315 1.815 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000753716518 585266913 /nfs/dbraw/zinc/26/69/13/585266913.db2.gz YCBDXZRAMFUTBR-RNFRBKRXSA-N 1 2 236.237 1.290 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000753716518 585266914 /nfs/dbraw/zinc/26/69/14/585266914.db2.gz YCBDXZRAMFUTBR-RNFRBKRXSA-N 1 2 236.237 1.290 20 0 BDADLO COCC[N@H+](C)Cn1ncc(Cl)c1C ZINC000753795948 585269476 /nfs/dbraw/zinc/26/94/76/585269476.db2.gz TVUGNEHZSLPAHT-UHFFFAOYSA-N 1 2 217.700 1.381 20 0 BDADLO COCC[N@@H+](C)Cn1ncc(Cl)c1C ZINC000753795948 585269477 /nfs/dbraw/zinc/26/94/77/585269477.db2.gz TVUGNEHZSLPAHT-UHFFFAOYSA-N 1 2 217.700 1.381 20 0 BDADLO [O-][n+]1ccccc1SCCn1cc[nH+]c1 ZINC000753862409 585271331 /nfs/dbraw/zinc/27/13/31/585271331.db2.gz MTDILHCKQGYECQ-UHFFFAOYSA-N 1 2 221.285 1.309 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893810 585271743 /nfs/dbraw/zinc/27/17/43/585271743.db2.gz BEURQAJMVKPGPJ-WISYIIOYSA-N 1 2 239.315 1.049 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893810 585271744 /nfs/dbraw/zinc/27/17/44/585271744.db2.gz BEURQAJMVKPGPJ-WISYIIOYSA-N 1 2 239.315 1.049 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1CCOC[C@H](C)C1 ZINC000753985958 585274145 /nfs/dbraw/zinc/27/41/45/585274145.db2.gz KOLYZDOTAIFANM-SECBINFHSA-N 1 2 243.738 1.771 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1CCOC[C@H](C)C1 ZINC000753985958 585274146 /nfs/dbraw/zinc/27/41/46/585274146.db2.gz KOLYZDOTAIFANM-SECBINFHSA-N 1 2 243.738 1.771 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000754185981 585279630 /nfs/dbraw/zinc/27/96/30/585279630.db2.gz WZRSIYGZGPZVTL-WDEREUQCSA-N 1 2 236.315 1.446 20 0 BDADLO Cn1c[nH+]cc1COC(=O)COC1CCCC1 ZINC000754684476 585289514 /nfs/dbraw/zinc/28/95/14/585289514.db2.gz OUROZYHMORNSKW-UHFFFAOYSA-N 1 2 238.287 1.423 20 0 BDADLO C[C@H](C(=O)OCc1c[nH+]cn1C)c1ccco1 ZINC000754683968 585289553 /nfs/dbraw/zinc/28/95/53/585289553.db2.gz FGZRYKNQSZFTOJ-VIFPVBQESA-N 1 2 234.255 1.860 20 0 BDADLO Fc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccn1 ZINC000859217880 589020752 /nfs/dbraw/zinc/02/07/52/589020752.db2.gz OQMONQBWIJQDRC-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccn1 ZINC000859217880 589020753 /nfs/dbraw/zinc/02/07/53/589020753.db2.gz OQMONQBWIJQDRC-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO Cc1ccc(NC(=O)C2(O)CCCC2)c(C)[nH+]1 ZINC000755771853 585306770 /nfs/dbraw/zinc/30/67/70/585306770.db2.gz PDBCGPCRAISPLI-UHFFFAOYSA-N 1 2 234.299 1.942 20 0 BDADLO CN(C)c1cc(COC(=O)C2CC(=O)C2)cc[nH+]1 ZINC000755905444 585310002 /nfs/dbraw/zinc/31/00/02/585310002.db2.gz WPPANCOINACOGW-UHFFFAOYSA-N 1 2 248.282 1.170 20 0 BDADLO CC[C@@H](CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC000755988984 585311675 /nfs/dbraw/zinc/31/16/75/585311675.db2.gz GIDGCHLMDIDOIG-JTQLQIEISA-N 1 2 247.298 1.225 20 0 BDADLO C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCOC1 ZINC000756205066 585315737 /nfs/dbraw/zinc/31/57/37/585315737.db2.gz MXOOYZOKMIHRGL-CYBMUJFWSA-N 1 2 245.282 1.243 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCCOC(C)(C)C ZINC000756884901 585324642 /nfs/dbraw/zinc/32/46/42/585324642.db2.gz LRVBRKXQTKNNCR-SECBINFHSA-N 1 2 232.324 1.725 20 0 BDADLO CC(C)(C)[C@@H](O)C(=O)OCCCn1cc[nH+]c1 ZINC000758384993 585355522 /nfs/dbraw/zinc/35/55/22/585355522.db2.gz VSXRJZVWDWYIMV-JTQLQIEISA-N 1 2 240.303 1.223 20 0 BDADLO Cc1nonc1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000759398767 585372135 /nfs/dbraw/zinc/37/21/35/585372135.db2.gz DSOVLRUHSXNKDS-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nonc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000759398767 585372136 /nfs/dbraw/zinc/37/21/36/585372136.db2.gz DSOVLRUHSXNKDS-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO CCOCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000759814744 585380761 /nfs/dbraw/zinc/38/07/61/585380761.db2.gz LUCVLGFWOSXXEL-UHFFFAOYSA-N 1 2 238.287 1.176 20 0 BDADLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc[nH]1 ZINC000760729118 585396369 /nfs/dbraw/zinc/39/63/69/585396369.db2.gz REPVZPIKZBJKOC-SNVBAGLBSA-N 1 2 232.287 1.479 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)C1(COC)CC1 ZINC000761100680 585409375 /nfs/dbraw/zinc/40/93/75/585409375.db2.gz KDQYJVDSXALDLC-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)C1(COC)CC1 ZINC000761100680 585409376 /nfs/dbraw/zinc/40/93/76/585409376.db2.gz KDQYJVDSXALDLC-SNVBAGLBSA-N 1 2 229.320 1.439 20 0 BDADLO COC(=O)/C(C)=C\C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000761114134 585410623 /nfs/dbraw/zinc/41/06/23/585410623.db2.gz LAZOGXQCXIYBJN-OQFOIZHKSA-N 1 2 245.269 1.837 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)nn2)Cc2ccccc21 ZINC000761640803 585417751 /nfs/dbraw/zinc/41/77/51/585417751.db2.gz NVLRCVDVRRRDHR-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)Cc2ccccc21 ZINC000761640803 585417752 /nfs/dbraw/zinc/41/77/52/585417752.db2.gz NVLRCVDVRRRDHR-NSHDSACASA-N 1 2 242.326 1.934 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCSC1 ZINC000762092969 585426081 /nfs/dbraw/zinc/42/60/81/585426081.db2.gz ZRDYZFPDUNBNRJ-QMMMGPOBSA-N 1 2 226.301 1.216 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCSC1 ZINC000762092967 585426183 /nfs/dbraw/zinc/42/61/83/585426183.db2.gz ZRDYZFPDUNBNRJ-MRVPVSSYSA-N 1 2 226.301 1.216 20 0 BDADLO CN(C)c1cc(CSc2nc[nH]n2)cc[nH+]1 ZINC000762467028 585432462 /nfs/dbraw/zinc/43/24/62/585432462.db2.gz APSMGBDRAKZKNU-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO Cc1nonc1C[N@@H+]1CCOCC12CCCC2 ZINC000762926624 585439505 /nfs/dbraw/zinc/43/95/05/585439505.db2.gz MGQADNFMHHKDRU-UHFFFAOYSA-N 1 2 237.303 1.523 20 0 BDADLO Cc1nonc1C[N@H+]1CCOCC12CCCC2 ZINC000762926624 585439506 /nfs/dbraw/zinc/43/95/06/585439506.db2.gz MGQADNFMHHKDRU-UHFFFAOYSA-N 1 2 237.303 1.523 20 0 BDADLO Cc1nn(C)c(C)c1C(=O)OCCn1cc[nH+]c1 ZINC000763111311 585443348 /nfs/dbraw/zinc/44/33/48/585443348.db2.gz GZRIYKSEWXAMTF-UHFFFAOYSA-N 1 2 248.286 1.090 20 0 BDADLO C[C@@H]1[N@H+](CN2CCOC2=S)CCOC1(C)C ZINC000763208803 585444401 /nfs/dbraw/zinc/44/44/01/585444401.db2.gz AXPLCFRSKGWYKX-VIFPVBQESA-N 1 2 244.360 1.060 20 0 BDADLO C[C@@H]1[N@@H+](CN2CCOC2=S)CCOC1(C)C ZINC000763208803 585444402 /nfs/dbraw/zinc/44/44/02/585444402.db2.gz AXPLCFRSKGWYKX-VIFPVBQESA-N 1 2 244.360 1.060 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000763272779 585445749 /nfs/dbraw/zinc/44/57/49/585445749.db2.gz UGEGBQUNHCPQNC-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO C(C1CC1)[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000763405407 585447926 /nfs/dbraw/zinc/44/79/26/585447926.db2.gz ANEARLXXGOSKHD-LLVKDONJSA-N 1 2 249.314 1.730 20 0 BDADLO C(C1CC1)[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000763405407 585447927 /nfs/dbraw/zinc/44/79/27/585447927.db2.gz ANEARLXXGOSKHD-LLVKDONJSA-N 1 2 249.314 1.730 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000763716489 585453362 /nfs/dbraw/zinc/45/33/62/585453362.db2.gz WGZHULBBZFHFDN-JQWIXIFHSA-N 1 2 247.298 1.279 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000763716489 585453363 /nfs/dbraw/zinc/45/33/63/585453363.db2.gz WGZHULBBZFHFDN-JQWIXIFHSA-N 1 2 247.298 1.279 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000764406389 585465147 /nfs/dbraw/zinc/46/51/47/585465147.db2.gz HRRMSDPBKIZQLO-WDEREUQCSA-N 1 2 220.320 1.591 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000764406389 585465148 /nfs/dbraw/zinc/46/51/48/585465148.db2.gz HRRMSDPBKIZQLO-WDEREUQCSA-N 1 2 220.320 1.591 20 0 BDADLO CC1(C)OC[C@@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000765054046 585480327 /nfs/dbraw/zinc/48/03/27/585480327.db2.gz DVHQPLNOUNKMOO-SNVBAGLBSA-N 1 2 249.314 1.917 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)[nH]n1 ZINC000765278228 585483561 /nfs/dbraw/zinc/48/35/61/585483561.db2.gz CCWWQXMPNTUXIW-LLVKDONJSA-N 1 2 231.303 1.608 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)[nH]n1 ZINC000765278228 585483562 /nfs/dbraw/zinc/48/35/62/585483562.db2.gz CCWWQXMPNTUXIW-LLVKDONJSA-N 1 2 231.303 1.608 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]2COC(=O)C2)c(C)[nH+]1 ZINC000765506029 585488465 /nfs/dbraw/zinc/48/84/65/585488465.db2.gz YZMTVCZHDQKNDF-JTQLQIEISA-N 1 2 248.282 1.590 20 0 BDADLO O=C1CC[C@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000766272674 585500264 /nfs/dbraw/zinc/50/02/64/585500264.db2.gz RABFIPUPOSAYQG-PWTMJPFMSA-N 1 2 214.696 1.046 20 0 BDADLO O=C1CC[C@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000766272674 585500265 /nfs/dbraw/zinc/50/02/65/585500265.db2.gz RABFIPUPOSAYQG-PWTMJPFMSA-N 1 2 214.696 1.046 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)Cc1nnc2n1CCC2 ZINC000767415897 585519444 /nfs/dbraw/zinc/51/94/44/585519444.db2.gz SEZHIYUTPGMUBQ-UHFFFAOYSA-N 1 2 248.330 1.025 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)Cc1nnc2n1CCC2 ZINC000767415897 585519445 /nfs/dbraw/zinc/51/94/45/585519445.db2.gz SEZHIYUTPGMUBQ-UHFFFAOYSA-N 1 2 248.330 1.025 20 0 BDADLO CC(C)CN(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000859235624 589022962 /nfs/dbraw/zinc/02/29/62/589022962.db2.gz IGLLDDMVOILKEQ-UHFFFAOYSA-N 1 2 210.281 1.207 20 0 BDADLO CC(C)CN(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000859235624 589022964 /nfs/dbraw/zinc/02/29/64/589022964.db2.gz IGLLDDMVOILKEQ-UHFFFAOYSA-N 1 2 210.281 1.207 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccnc(F)c1)CC2 ZINC000859243674 589023009 /nfs/dbraw/zinc/02/30/09/589023009.db2.gz DOUZULNEBYQYIQ-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccnc(F)c1)CC2 ZINC000859243674 589023010 /nfs/dbraw/zinc/02/30/10/589023010.db2.gz DOUZULNEBYQYIQ-UHFFFAOYSA-N 1 2 246.289 1.741 20 0 BDADLO C[N@H+](CCOC(C)(C)C)CN1CCSC1=O ZINC000767772971 585526042 /nfs/dbraw/zinc/52/60/42/585526042.db2.gz UCJMDMSWXGJGBA-UHFFFAOYSA-N 1 2 246.376 1.860 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)CN1CCSC1=O ZINC000767772971 585526043 /nfs/dbraw/zinc/52/60/43/585526043.db2.gz UCJMDMSWXGJGBA-UHFFFAOYSA-N 1 2 246.376 1.860 20 0 BDADLO CCOC(C[N@@H+]1CCc2c[nH]nc2C1)OCC ZINC000767810744 585526409 /nfs/dbraw/zinc/52/64/09/585526409.db2.gz BJFRHCVEYLMRHR-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CCOC(C[N@H+]1CCc2c[nH]nc2C1)OCC ZINC000767810744 585526410 /nfs/dbraw/zinc/52/64/10/585526410.db2.gz BJFRHCVEYLMRHR-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CCOC(C[N@@H+]1CCc2cn[nH]c2C1)OCC ZINC000767810744 585526411 /nfs/dbraw/zinc/52/64/11/585526411.db2.gz BJFRHCVEYLMRHR-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO CCOC(C[N@H+]1CCc2cn[nH]c2C1)OCC ZINC000767810744 585526412 /nfs/dbraw/zinc/52/64/12/585526412.db2.gz BJFRHCVEYLMRHR-UHFFFAOYSA-N 1 2 239.319 1.167 20 0 BDADLO Cc1cc(NC(=O)N[C@H](CCO)C2CC2)cc[nH+]1 ZINC000767896235 585527816 /nfs/dbraw/zinc/52/78/16/585527816.db2.gz YUEAPSHDYDLLCJ-GFCCVEGCSA-N 1 2 249.314 1.094 20 0 BDADLO CC[N@H+](CCO)Cc1coc(C2CC2)n1 ZINC000768141218 585532911 /nfs/dbraw/zinc/53/29/11/585532911.db2.gz SOCJNXIUSFTKMT-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO CC[N@@H+](CCO)Cc1coc(C2CC2)n1 ZINC000768141218 585532912 /nfs/dbraw/zinc/53/29/12/585532912.db2.gz SOCJNXIUSFTKMT-UHFFFAOYSA-N 1 2 210.277 1.366 20 0 BDADLO C/C=C/C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768143313 585533241 /nfs/dbraw/zinc/53/32/41/585533241.db2.gz TXLRSTGWZRXVHT-JOAKQRRISA-N 1 2 233.315 1.702 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)COC(C)(C)C ZINC000768936094 585546322 /nfs/dbraw/zinc/54/63/22/585546322.db2.gz ZEUPFVXNSTUNDK-QMMMGPOBSA-N 1 2 218.297 1.335 20 0 BDADLO CC[C@@H](NC(=O)C[C@@H](C)OC)c1[nH]cc[nH+]1 ZINC000769670033 585561419 /nfs/dbraw/zinc/56/14/19/585561419.db2.gz RXLDNXNRROXAAF-RKDXNWHRSA-N 1 2 225.292 1.402 20 0 BDADLO CCC[N@H+](CC)Cn1nc(CO)n(C)c1=S ZINC000769833413 585565023 /nfs/dbraw/zinc/56/50/23/585565023.db2.gz CEPUNCBCCTUFAS-UHFFFAOYSA-N 1 2 244.364 1.133 20 0 BDADLO CCC[N@@H+](CC)Cn1nc(CO)n(C)c1=S ZINC000769833413 585565024 /nfs/dbraw/zinc/56/50/24/585565024.db2.gz CEPUNCBCCTUFAS-UHFFFAOYSA-N 1 2 244.364 1.133 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769863624 585565667 /nfs/dbraw/zinc/56/56/67/585565667.db2.gz GGRJYXPFUPERHM-HTQZYQBOSA-N 1 2 237.221 1.576 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769863624 585565668 /nfs/dbraw/zinc/56/56/68/585565668.db2.gz GGRJYXPFUPERHM-HTQZYQBOSA-N 1 2 237.221 1.576 20 0 BDADLO Cn1ccc(NC(=O)c2cccc3[nH+]ccn32)n1 ZINC000770057944 585570405 /nfs/dbraw/zinc/57/04/05/585570405.db2.gz VAOAIWIIHZZVKB-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cc(C)[nH]n1 ZINC000805420154 585591402 /nfs/dbraw/zinc/59/14/02/585591402.db2.gz SYYXSKAXZHFJRF-UHFFFAOYSA-N 1 2 247.254 1.479 20 0 BDADLO COc1cc[nH+]cc1COC(=O)[C@@H](C)OC ZINC000805421905 585591646 /nfs/dbraw/zinc/59/16/46/585591646.db2.gz SIWLPAHSMNDPMA-MRVPVSSYSA-N 1 2 225.244 1.168 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1cnns1 ZINC000859237554 589023673 /nfs/dbraw/zinc/02/36/73/589023673.db2.gz VUJAYVDMWQTASW-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1cnns1 ZINC000859237554 589023674 /nfs/dbraw/zinc/02/36/74/589023674.db2.gz VUJAYVDMWQTASW-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO CCCOCC(=O)OCc1c[nH+]ccc1OC ZINC000805427079 585592319 /nfs/dbraw/zinc/59/23/19/585592319.db2.gz MTHIFWIYSCHPRK-UHFFFAOYSA-N 1 2 239.271 1.560 20 0 BDADLO COc1cccc(NC(=O)Cn2cc[nH+]c2)c1F ZINC000771523528 585595532 /nfs/dbraw/zinc/59/55/32/585595532.db2.gz PMNNZXXHMZKICB-UHFFFAOYSA-N 1 2 249.245 1.670 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OC[C@@H]1CCCOC1 ZINC000771664677 585598744 /nfs/dbraw/zinc/59/87/44/585598744.db2.gz NHWMWYJXNJSJSL-GFCCVEGCSA-N 1 2 249.314 1.549 20 0 BDADLO C[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)OC(C)(C)C ZINC000771800334 585600315 /nfs/dbraw/zinc/60/03/15/585600315.db2.gz DPAWJYSBOWKATP-GXSJLCMTSA-N 1 2 243.347 1.467 20 0 BDADLO CCC[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771919886 585604451 /nfs/dbraw/zinc/60/44/51/585604451.db2.gz WKDOKRYOLJLZOV-SNVBAGLBSA-N 1 2 210.277 1.863 20 0 BDADLO CC(C)CO[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771920603 585604770 /nfs/dbraw/zinc/60/47/70/585604770.db2.gz JHYCIPWJTFRDCO-LLVKDONJSA-N 1 2 240.303 1.487 20 0 BDADLO CCCCO[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000771935919 585604918 /nfs/dbraw/zinc/60/49/18/585604918.db2.gz FTUYKXVXELJDPE-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO C[C@@H](CC(=O)OCCn1cc[nH+]c1)C1CC1 ZINC000771938774 585605002 /nfs/dbraw/zinc/60/50/02/585605002.db2.gz QHQYWTZIOPBPGK-JTQLQIEISA-N 1 2 222.288 1.863 20 0 BDADLO Cc1cc(CC(=O)OCCn2cc[nH+]c2C)n[nH]1 ZINC000771991207 585606058 /nfs/dbraw/zinc/60/60/58/585606058.db2.gz DCYUXKNGNJNPKZ-UHFFFAOYSA-N 1 2 248.286 1.009 20 0 BDADLO CC[C@@H](C)OC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805470572 585622912 /nfs/dbraw/zinc/62/29/12/585622912.db2.gz YVZWXQDZEAHHGT-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H](C)OC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805470572 585622913 /nfs/dbraw/zinc/62/29/13/585622913.db2.gz YVZWXQDZEAHHGT-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OC[Si](C)(C)C)C1 ZINC000805470714 585623257 /nfs/dbraw/zinc/62/32/57/585623257.db2.gz TUTLOOKFRPEOGN-JTQLQIEISA-N 1 2 245.395 1.128 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OC[Si](C)(C)C)C1 ZINC000805470714 585623258 /nfs/dbraw/zinc/62/32/58/585623258.db2.gz TUTLOOKFRPEOGN-JTQLQIEISA-N 1 2 245.395 1.128 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772776867 585623522 /nfs/dbraw/zinc/62/35/22/585623522.db2.gz GFFRZYSBFCLVNS-FWAPLPHYSA-N 1 2 233.315 1.740 20 0 BDADLO CCC=C(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772776867 585623523 /nfs/dbraw/zinc/62/35/23/585623523.db2.gz GFFRZYSBFCLVNS-FWAPLPHYSA-N 1 2 233.315 1.740 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000772813781 585624717 /nfs/dbraw/zinc/62/47/17/585624717.db2.gz QKPVVMADCOFPDO-JTQLQIEISA-N 1 2 233.315 1.740 20 0 BDADLO CC(C)=C(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000772813781 585624718 /nfs/dbraw/zinc/62/47/18/585624718.db2.gz QKPVVMADCOFPDO-JTQLQIEISA-N 1 2 233.315 1.740 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2C=CCCC2)C1 ZINC000805473601 585625442 /nfs/dbraw/zinc/62/54/42/585625442.db2.gz NPOKZEUUNRRTGT-NWDGAFQWSA-N 1 2 239.315 1.359 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2C=CCCC2)C1 ZINC000805473601 585625443 /nfs/dbraw/zinc/62/54/43/585625443.db2.gz NPOKZEUUNRRTGT-NWDGAFQWSA-N 1 2 239.315 1.359 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1nccs1 ZINC000773506031 585638534 /nfs/dbraw/zinc/63/85/34/585638534.db2.gz RTPVGJZGNRCGTQ-UHFFFAOYSA-N 1 2 223.257 1.197 20 0 BDADLO CC(C)C1(O)C[NH+]([C@H](C)c2cccnc2)C1 ZINC000773896013 585646316 /nfs/dbraw/zinc/64/63/16/585646316.db2.gz FMBZBDVTAMJCQC-LLVKDONJSA-N 1 2 220.316 1.845 20 0 BDADLO COC[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774087570 585650052 /nfs/dbraw/zinc/65/00/52/585650052.db2.gz VEAMZOLTLFCLFD-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO COC[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000774087570 585650053 /nfs/dbraw/zinc/65/00/53/585650053.db2.gz VEAMZOLTLFCLFD-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)N1CC[N@H+](C[C@@H]2CCC=CO2)CC1=O ZINC000775056132 585671178 /nfs/dbraw/zinc/67/11/78/585671178.db2.gz WLYRKIIMURBXQL-LBPRGKRZSA-N 1 2 238.331 1.232 20 0 BDADLO CC(C)N1CC[N@@H+](C[C@@H]2CCC=CO2)CC1=O ZINC000775056132 585671179 /nfs/dbraw/zinc/67/11/79/585671179.db2.gz WLYRKIIMURBXQL-LBPRGKRZSA-N 1 2 238.331 1.232 20 0 BDADLO CCc1noc(C[N@@H+]2CCOCC[C@@H]2C)n1 ZINC000775570476 585680532 /nfs/dbraw/zinc/68/05/32/585680532.db2.gz OUXUQHUFMCOBPY-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCOCC[C@@H]2C)n1 ZINC000775570476 585680533 /nfs/dbraw/zinc/68/05/33/585680533.db2.gz OUXUQHUFMCOBPY-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CON(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000776010975 585689318 /nfs/dbraw/zinc/68/93/18/585689318.db2.gz AVRBGIRGEAOULP-UHFFFAOYSA-N 1 2 238.291 1.481 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCOC[C@H]1C ZINC000776590665 585701883 /nfs/dbraw/zinc/70/18/83/585701883.db2.gz JNBWACOOLPBKGF-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCOC[C@H]1C ZINC000776590665 585701884 /nfs/dbraw/zinc/70/18/84/585701884.db2.gz JNBWACOOLPBKGF-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC1=CC[N@@H+](CC(=O)OCC(C)C)CC1 ZINC000776593537 585702489 /nfs/dbraw/zinc/70/24/89/585702489.db2.gz LATUJXWAGGEOCL-UHFFFAOYSA-N 1 2 211.305 1.838 20 0 BDADLO CC1=CC[N@H+](CC(=O)OCC(C)C)CC1 ZINC000776593537 585702488 /nfs/dbraw/zinc/70/24/88/585702488.db2.gz LATUJXWAGGEOCL-UHFFFAOYSA-N 1 2 211.305 1.838 20 0 BDADLO O=C(N[C@@H]1CCSC1)c1cccc2[nH+]ccn21 ZINC000776709163 585703400 /nfs/dbraw/zinc/70/34/00/585703400.db2.gz RJKITCLMJPIGRZ-SECBINFHSA-N 1 2 247.323 1.570 20 0 BDADLO O=C(NC1CCOCC1)c1cccc2[nH+]ccn21 ZINC000776836322 585706088 /nfs/dbraw/zinc/70/60/88/585706088.db2.gz DBENHCLETXAHJZ-UHFFFAOYSA-N 1 2 245.282 1.243 20 0 BDADLO O=C(C1=COCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777455130 585712577 /nfs/dbraw/zinc/71/25/77/585712577.db2.gz KZPVINZQTZPMMZ-JTQLQIEISA-N 1 2 233.271 1.377 20 0 BDADLO CS/C=C/C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777457530 585712734 /nfs/dbraw/zinc/71/27/34/585712734.db2.gz QUFCQIYAUFMFMA-SGDMMICCSA-N 1 2 237.328 1.950 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCSC2=S)C[C@@H]1F ZINC000777965651 585724250 /nfs/dbraw/zinc/72/42/50/585724250.db2.gz BRSOMMXAONQCOP-IUCAKERBSA-N 1 2 248.392 1.958 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCSC2=S)C[C@@H]1F ZINC000777965651 585724251 /nfs/dbraw/zinc/72/42/51/585724251.db2.gz BRSOMMXAONQCOP-IUCAKERBSA-N 1 2 248.392 1.958 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCOC2=S)C[C@H]1F ZINC000777967613 585724810 /nfs/dbraw/zinc/72/48/10/585724810.db2.gz JSHDTMVICCKIDE-DTWKUNHWSA-N 1 2 232.324 1.241 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCOC2=S)C[C@H]1F ZINC000777967613 585724811 /nfs/dbraw/zinc/72/48/11/585724811.db2.gz JSHDTMVICCKIDE-DTWKUNHWSA-N 1 2 232.324 1.241 20 0 BDADLO C[C@H]1CC[N@H+](CN2CCOC2=S)C[C@@H]1F ZINC000777967614 585724869 /nfs/dbraw/zinc/72/48/69/585724869.db2.gz JSHDTMVICCKIDE-IUCAKERBSA-N 1 2 232.324 1.241 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CCOC2=S)C[C@@H]1F ZINC000777967614 585724870 /nfs/dbraw/zinc/72/48/70/585724870.db2.gz JSHDTMVICCKIDE-IUCAKERBSA-N 1 2 232.324 1.241 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000778230169 585728410 /nfs/dbraw/zinc/72/84/10/585728410.db2.gz BHBVDUXDRUZVSV-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000778230169 585728411 /nfs/dbraw/zinc/72/84/11/585728411.db2.gz BHBVDUXDRUZVSV-JOYOIKCWSA-N 1 2 223.295 1.965 20 0 BDADLO CC(C)[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000778407150 585734350 /nfs/dbraw/zinc/73/43/50/585734350.db2.gz HJSPRRQAUOXPAO-SNVBAGLBSA-N 1 2 247.298 1.081 20 0 BDADLO CCC(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805610634 585737255 /nfs/dbraw/zinc/73/72/55/585737255.db2.gz HLYMNLIFDKXWAQ-UHFFFAOYSA-N 1 2 227.304 1.383 20 0 BDADLO C/C(=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094876 585745327 /nfs/dbraw/zinc/74/53/27/585745327.db2.gz FUYUJQGJSNGYPB-VPUINMBXSA-N 1 2 245.326 1.670 20 0 BDADLO C[C@H](CCO)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000779417513 585754391 /nfs/dbraw/zinc/75/43/91/585754391.db2.gz KJEWVEBOBASZNJ-LLVKDONJSA-N 1 2 235.331 1.865 20 0 BDADLO COc1ccc([NH2+][C@H](C)CCO)cc1CO ZINC000779420985 585754565 /nfs/dbraw/zinc/75/45/65/585754565.db2.gz APMLUUXCHINASP-SECBINFHSA-N 1 2 225.288 1.370 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCCn1cc[nH+]c1 ZINC000779744612 585760690 /nfs/dbraw/zinc/76/06/90/585760690.db2.gz YJGSQVBJTZLYMV-ZHACJKMWSA-N 1 2 221.304 1.746 20 0 BDADLO CN(C)c1cc(COC(=O)C2CCC2)cc[nH+]1 ZINC000782146720 585808337 /nfs/dbraw/zinc/80/83/37/585808337.db2.gz KDGNFYKDFRIHMQ-UHFFFAOYSA-N 1 2 234.299 1.991 20 0 BDADLO CC(C)OCCO[NH+]=C(N)COC(C)C ZINC000782320605 585814932 /nfs/dbraw/zinc/81/49/32/585814932.db2.gz JLGCDISKLBUKDQ-UHFFFAOYSA-N 1 2 218.297 1.335 20 0 BDADLO CO[C@@H](C)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000782335498 585815457 /nfs/dbraw/zinc/81/54/57/585815457.db2.gz CLHWCHFFKPWBFV-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CO[C@@H](C)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000782335498 585815458 /nfs/dbraw/zinc/81/54/58/585815458.db2.gz CLHWCHFFKPWBFV-UWVGGRQHSA-N 1 2 215.293 1.049 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782617257 585822518 /nfs/dbraw/zinc/82/25/18/585822518.db2.gz DNMRRHNNYKEGTL-GMXVVIOVSA-N 1 2 241.331 1.032 20 0 BDADLO CCCCOC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782617257 585822519 /nfs/dbraw/zinc/82/25/19/585822519.db2.gz DNMRRHNNYKEGTL-GMXVVIOVSA-N 1 2 241.331 1.032 20 0 BDADLO C/C=C(/C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000782726364 585824242 /nfs/dbraw/zinc/82/42/42/585824242.db2.gz KLBKPODVXNMVCU-WTKPLQERSA-N 1 2 219.288 1.500 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)/C=C\C1CC1)CC2 ZINC000782727842 585824272 /nfs/dbraw/zinc/82/42/72/585824272.db2.gz YAJVWDOVAMXVPL-PLNGDYQASA-N 1 2 231.299 1.500 20 0 BDADLO CCO[C@@H](CC)C(=O)OCCCn1cc[nH+]c1 ZINC000783174254 585828899 /nfs/dbraw/zinc/82/88/99/585828899.db2.gz GKANWNPWGKDNGI-NSHDSACASA-N 1 2 240.303 1.632 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000805747171 585835679 /nfs/dbraw/zinc/83/56/79/585835679.db2.gz VLAZZMNSTNTXIH-HTQZYQBOSA-N 1 2 248.252 1.760 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000805747171 585835680 /nfs/dbraw/zinc/83/56/80/585835680.db2.gz VLAZZMNSTNTXIH-HTQZYQBOSA-N 1 2 248.252 1.760 20 0 BDADLO C[C@@H]1C[N@H+](Cn2cc[nH]c2=S)[C@@H](C)[C@@H](C)O1 ZINC000783542420 585836369 /nfs/dbraw/zinc/83/63/69/585836369.db2.gz KDUVDXOGZSLKBX-KXUCPTDWSA-N 1 2 241.360 1.627 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2cc[nH]c2=S)[C@@H](C)[C@@H](C)O1 ZINC000783542420 585836370 /nfs/dbraw/zinc/83/63/70/585836370.db2.gz KDUVDXOGZSLKBX-KXUCPTDWSA-N 1 2 241.360 1.627 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783729493 585840921 /nfs/dbraw/zinc/84/09/21/585840921.db2.gz NJRDIINCNJEXHF-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783729493 585840922 /nfs/dbraw/zinc/84/09/22/585840922.db2.gz NJRDIINCNJEXHF-NSHDSACASA-N 1 2 248.326 1.358 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccsc1 ZINC000783734330 585841034 /nfs/dbraw/zinc/84/10/34/585841034.db2.gz SCWXNRGGAGPXNU-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccsc1 ZINC000783734330 585841035 /nfs/dbraw/zinc/84/10/35/585841035.db2.gz SCWXNRGGAGPXNU-SECBINFHSA-N 1 2 224.329 1.411 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=S)NC2CC2)c1 ZINC000783764892 585842568 /nfs/dbraw/zinc/84/25/68/585842568.db2.gz VMDYZSYLJZJTEF-UHFFFAOYSA-N 1 2 236.344 1.596 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCCS1 ZINC000783947347 585846084 /nfs/dbraw/zinc/84/60/84/585846084.db2.gz FBAJIRIMDAKSMB-JTQLQIEISA-N 1 2 240.328 1.712 20 0 BDADLO O=C(C=C1CCC1)OCCCn1cc[nH+]c1 ZINC000784104904 585849523 /nfs/dbraw/zinc/84/95/23/585849523.db2.gz RLEMOQSOBUVTCO-UHFFFAOYSA-N 1 2 220.272 1.927 20 0 BDADLO Cc1cc(NC(=O)[C@H](F)C(C)C)cc[nH+]1 ZINC000784147055 585851472 /nfs/dbraw/zinc/85/14/72/585851472.db2.gz WZVBIEDYCFNILK-SNVBAGLBSA-N 1 2 210.252 1.745 20 0 BDADLO COCc1noc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000784226128 585852942 /nfs/dbraw/zinc/85/29/42/585852942.db2.gz SPVLBPNDVROHJM-XHNCKOQMSA-N 1 2 223.276 1.371 20 0 BDADLO COCc1noc([C@H](C)[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000784226128 585852943 /nfs/dbraw/zinc/85/29/43/585852943.db2.gz SPVLBPNDVROHJM-XHNCKOQMSA-N 1 2 223.276 1.371 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)s1 ZINC000784220387 585853139 /nfs/dbraw/zinc/85/31/39/585853139.db2.gz ASTYWCVPSXPKKR-SFYZADRCSA-N 1 2 209.318 1.695 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H]3C[C@@H]32)s1 ZINC000784220387 585853140 /nfs/dbraw/zinc/85/31/40/585853140.db2.gz ASTYWCVPSXPKKR-SFYZADRCSA-N 1 2 209.318 1.695 20 0 BDADLO CC[C@@H](SC)C(=O)OCCCn1cc[nH+]c1 ZINC000784316674 585855811 /nfs/dbraw/zinc/85/58/11/585855811.db2.gz ZWPWMNJYTPAEPS-SNVBAGLBSA-N 1 2 242.344 1.958 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CCF ZINC000784356781 585857083 /nfs/dbraw/zinc/85/70/83/585857083.db2.gz TYNIPCCJSWJYRO-NXEZZACHSA-N 1 2 215.268 1.026 20 0 BDADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CCF ZINC000784356781 585857084 /nfs/dbraw/zinc/85/70/84/585857084.db2.gz TYNIPCCJSWJYRO-NXEZZACHSA-N 1 2 215.268 1.026 20 0 BDADLO CC(C)[C@H](F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000784438478 585859497 /nfs/dbraw/zinc/85/94/97/585859497.db2.gz FJGKKHMVPMVQCH-LBPRGKRZSA-N 1 2 249.289 1.945 20 0 BDADLO CC(C)(F)C(=O)OCCCn1cc[nH+]c1 ZINC000784481620 585861024 /nfs/dbraw/zinc/86/10/24/585861024.db2.gz JKCHJZNIZFAFMN-UHFFFAOYSA-N 1 2 214.240 1.565 20 0 BDADLO CC(C)(C)OCC(=O)OCCCn1cc[nH+]c1 ZINC000784584440 585863867 /nfs/dbraw/zinc/86/38/67/585863867.db2.gz XSBYXBBRPWSHEJ-UHFFFAOYSA-N 1 2 240.303 1.632 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000784670990 585865603 /nfs/dbraw/zinc/86/56/03/585865603.db2.gz HRMZNBWYOWDCSW-UHFFFAOYSA-N 1 2 249.245 1.664 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC1(C)C ZINC000784917353 585868437 /nfs/dbraw/zinc/86/84/37/585868437.db2.gz DBDPHTUGEHZCPS-MNOVXSKESA-N 1 2 241.331 1.296 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785745205 585878800 /nfs/dbraw/zinc/87/88/00/585878800.db2.gz ZIOKQMBFKOUNIM-DCAQKATOSA-N 1 2 241.331 1.770 20 0 BDADLO Cc1cccn2cc(COC(=O)C3COC3)[nH+]c12 ZINC000785773334 585880310 /nfs/dbraw/zinc/88/03/10/585880310.db2.gz PELITTDNZGPBBS-UHFFFAOYSA-N 1 2 246.266 1.332 20 0 BDADLO CC(C)CN1C[C@@H]2C[N@H+](CCF)CCN2C1=O ZINC000785875920 585882108 /nfs/dbraw/zinc/88/21/08/585882108.db2.gz BTTUAGZEDWIMOL-NSHDSACASA-N 1 2 243.326 1.034 20 0 BDADLO CC(C)CN1C[C@@H]2C[N@@H+](CCF)CCN2C1=O ZINC000785875920 585882109 /nfs/dbraw/zinc/88/21/09/585882109.db2.gz BTTUAGZEDWIMOL-NSHDSACASA-N 1 2 243.326 1.034 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C(F)F ZINC000787347472 585907482 /nfs/dbraw/zinc/90/74/82/585907482.db2.gz HTTPQKMELDODLF-UHFFFAOYSA-N 1 2 211.171 1.538 20 0 BDADLO CCCn1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000788172919 585918692 /nfs/dbraw/zinc/91/86/92/585918692.db2.gz XHMVBWKIQLSOBC-UHFFFAOYSA-N 1 2 246.314 1.860 20 0 BDADLO CONC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000788273501 585920525 /nfs/dbraw/zinc/92/05/25/585920525.db2.gz FTKGWJPAXCINKN-NSHDSACASA-N 1 2 222.288 1.357 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000788779223 585930410 /nfs/dbraw/zinc/93/04/10/585930410.db2.gz QYDMQMAEBOSMDL-JXMFCEOTSA-N 1 2 240.347 1.180 20 0 BDADLO C/C=C(/CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000788779223 585930411 /nfs/dbraw/zinc/93/04/11/585930411.db2.gz QYDMQMAEBOSMDL-JXMFCEOTSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncnn2C)c(C)o1 ZINC000788972050 585932510 /nfs/dbraw/zinc/93/25/10/585932510.db2.gz UKBBIMSGFQDDIJ-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO CCOC(CO[NH+]=C(N)[C@@H]1CCCO1)OCC ZINC000789613948 585946803 /nfs/dbraw/zinc/94/68/03/585946803.db2.gz YWOYGFWBLMGVJR-VIFPVBQESA-N 1 2 246.307 1.063 20 0 BDADLO CC[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000789777763 585949624 /nfs/dbraw/zinc/94/96/24/585949624.db2.gz WIQOPWWJXTXHHL-SECBINFHSA-N 1 2 210.277 1.552 20 0 BDADLO COC(=O)N1CC(C)(Nc2cc(C)[nH+]cn2)C1 ZINC000790086260 585957918 /nfs/dbraw/zinc/95/79/18/585957918.db2.gz QQHXYXHEWAYADF-UHFFFAOYSA-N 1 2 236.275 1.038 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+](CC2OCCO2)CCO1 ZINC000790430136 585964650 /nfs/dbraw/zinc/96/46/50/585964650.db2.gz CJIJYFUDUNIADC-SNVBAGLBSA-N 1 2 229.320 1.106 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+](CC2OCCO2)CCO1 ZINC000790430136 585964651 /nfs/dbraw/zinc/96/46/51/585964651.db2.gz CJIJYFUDUNIADC-SNVBAGLBSA-N 1 2 229.320 1.106 20 0 BDADLO CC(C)(C)[C@H]1C[N@@H+]([C@H]2CCOC2=O)CCO1 ZINC000790430988 585964751 /nfs/dbraw/zinc/96/47/51/585964751.db2.gz HAEYIJHTOOTCOS-VHSXEESVSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)(C)[C@H]1C[N@H+]([C@H]2CCOC2=O)CCO1 ZINC000790430988 585964752 /nfs/dbraw/zinc/96/47/52/585964752.db2.gz HAEYIJHTOOTCOS-VHSXEESVSA-N 1 2 227.304 1.049 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn(C)c1)c1nnnn1C1CC1 ZINC000790537264 585966044 /nfs/dbraw/zinc/96/60/44/585966044.db2.gz XFVFYFQVYKTOJP-SECBINFHSA-N 1 2 246.318 1.197 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1[C@H]1CCOC1=O ZINC000791579526 585984752 /nfs/dbraw/zinc/98/47/52/585984752.db2.gz QVQCAITVHUNQDJ-CSMHCCOUSA-N 1 2 237.221 1.575 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1[C@H]1CCOC1=O ZINC000791579526 585984753 /nfs/dbraw/zinc/98/47/53/585984753.db2.gz QVQCAITVHUNQDJ-CSMHCCOUSA-N 1 2 237.221 1.575 20 0 BDADLO O=C(CCOCC(F)F)OCCn1cc[nH+]c1 ZINC000791680212 585986262 /nfs/dbraw/zinc/98/62/62/585986262.db2.gz NDRFERSKDVHNRZ-UHFFFAOYSA-N 1 2 248.229 1.098 20 0 BDADLO Nc1cc(COC(=O)C[C@H]2CCOC2)cc[nH+]1 ZINC000791930631 585991815 /nfs/dbraw/zinc/99/18/15/585991815.db2.gz MKRHTZFVYIDBFY-SNVBAGLBSA-N 1 2 236.271 1.134 20 0 BDADLO C[C@H](C(=O)OCc1cc[nH+]c(N)c1)C(F)(F)F ZINC000791966360 585992496 /nfs/dbraw/zinc/99/24/96/585992496.db2.gz NQDDJVROZUQWIW-ZCFIWIBFSA-N 1 2 248.204 1.905 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792091604 585995633 /nfs/dbraw/zinc/99/56/33/585995633.db2.gz UJUHMPHRXYBILU-WCBMZHEXSA-N 1 2 236.271 1.132 20 0 BDADLO CCc1nc(C(=O)OCc2cc[nH+]c(N)c2)co1 ZINC000792152812 585996601 /nfs/dbraw/zinc/99/66/01/585996601.db2.gz YBNCSQYWZBMKQZ-UHFFFAOYSA-N 1 2 247.254 1.571 20 0 BDADLO c1cnc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)nc1 ZINC000792220379 585998047 /nfs/dbraw/zinc/99/80/47/585998047.db2.gz RNBPPWUPFIOGRS-LLVKDONJSA-N 1 2 249.314 1.204 20 0 BDADLO c1cnc(C[N@H+]2CCCC[C@@H]2C2OCCO2)nc1 ZINC000792220379 585998048 /nfs/dbraw/zinc/99/80/48/585998048.db2.gz RNBPPWUPFIOGRS-LLVKDONJSA-N 1 2 249.314 1.204 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000792238965 585998250 /nfs/dbraw/zinc/99/82/50/585998250.db2.gz BVXFXYNLFODJCS-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000792238965 585998251 /nfs/dbraw/zinc/99/82/51/585998251.db2.gz BVXFXYNLFODJCS-LBPRGKRZSA-N 1 2 247.298 1.026 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000792294082 585999287 /nfs/dbraw/zinc/99/92/87/585999287.db2.gz FKEOTRRYRHVOOM-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccnc(C[N@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000792294082 585999288 /nfs/dbraw/zinc/99/92/88/585999288.db2.gz FKEOTRRYRHVOOM-AWEZNQCLSA-N 1 2 246.310 1.672 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@@]1(CC)CCOC1 ZINC000792426921 586000644 /nfs/dbraw/zinc/00/06/44/586000644.db2.gz OTPRRRWKARWKEU-AAEUAGOBSA-N 1 2 243.347 1.877 20 0 BDADLO C[C@H]1CC(=O)N(C[N@@H+]2CC(C)(C)OC[C@@H]2C)C1 ZINC000792726273 586004414 /nfs/dbraw/zinc/00/44/14/586004414.db2.gz BOWCQROBUQITRV-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1CC(=O)N(C[N@H+]2CC(C)(C)OC[C@@H]2C)C1 ZINC000792726273 586004415 /nfs/dbraw/zinc/00/44/15/586004415.db2.gz BOWCQROBUQITRV-QWRGUYRKSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CN1CCSC1=O ZINC000792726599 586004496 /nfs/dbraw/zinc/00/44/96/586004496.db2.gz VFIKREDZAQEYEE-VIFPVBQESA-N 1 2 244.360 1.612 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CN1CCSC1=O ZINC000792726599 586004497 /nfs/dbraw/zinc/00/44/97/586004497.db2.gz VFIKREDZAQEYEE-VIFPVBQESA-N 1 2 244.360 1.612 20 0 BDADLO C[C@@H]1CSCC[N@H+](Cn2ccsc2=O)C1 ZINC000792726016 586004544 /nfs/dbraw/zinc/00/45/44/586004544.db2.gz NNYCSNCNYIKBFC-VIFPVBQESA-N 1 2 244.385 1.552 20 0 BDADLO C[C@@H]1CSCC[N@@H+](Cn2ccsc2=O)C1 ZINC000792726016 586004545 /nfs/dbraw/zinc/00/45/45/586004545.db2.gz NNYCSNCNYIKBFC-VIFPVBQESA-N 1 2 244.385 1.552 20 0 BDADLO COC[C@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000793251074 586015220 /nfs/dbraw/zinc/01/52/20/586015220.db2.gz NQXULZPULSQMKN-SNVBAGLBSA-N 1 2 240.303 1.178 20 0 BDADLO Cc1[nH]nc(C(=O)OCCc2c[nH+]cn2C)c1C ZINC000793256012 586015256 /nfs/dbraw/zinc/01/52/56/586015256.db2.gz NAIPVBDEDLTFRP-UHFFFAOYSA-N 1 2 248.286 1.160 20 0 BDADLO CSCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000793533408 586021844 /nfs/dbraw/zinc/02/18/44/586021844.db2.gz ALWNCBAXBRKZSR-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO CSCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000793533408 586021845 /nfs/dbraw/zinc/02/18/45/586021845.db2.gz ALWNCBAXBRKZSR-VIFPVBQESA-N 1 2 241.360 1.600 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000793747042 586025851 /nfs/dbraw/zinc/02/58/51/586025851.db2.gz MRVWQLDTWXXERM-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000793747042 586025852 /nfs/dbraw/zinc/02/58/52/586025852.db2.gz MRVWQLDTWXXERM-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NOC1CCCC1 ZINC000793770959 586026393 /nfs/dbraw/zinc/02/63/93/586026393.db2.gz FBHRWPNQIHEYII-UHFFFAOYSA-N 1 2 237.303 1.343 20 0 BDADLO CC[C@H]1CC[N@@H+]1Cn1cc2[nH]cccc-2c1=O ZINC000793820435 586026660 /nfs/dbraw/zinc/02/66/60/586026660.db2.gz LIHNIOAXFGHIDK-JTQLQIEISA-N 1 2 231.299 1.479 20 0 BDADLO CC[C@H]1CC[N@H+]1Cn1cc2[nH]cccc-2c1=O ZINC000793820435 586026661 /nfs/dbraw/zinc/02/66/61/586026661.db2.gz LIHNIOAXFGHIDK-JTQLQIEISA-N 1 2 231.299 1.479 20 0 BDADLO Cc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)ncn1 ZINC000794462238 586040183 /nfs/dbraw/zinc/04/01/83/586040183.db2.gz MKIDJRKRNWEURQ-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO NC(COc1ccccc1)=[NH+]O[C@@H]1CCOC1 ZINC000794518438 586041440 /nfs/dbraw/zinc/04/14/40/586041440.db2.gz KQQRXZPLINRRBN-LLVKDONJSA-N 1 2 236.271 1.353 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H]1CCOC1 ZINC000794521674 586041804 /nfs/dbraw/zinc/04/18/04/586041804.db2.gz DXJSGOUBKOFLBW-ZJUUUORDSA-N 1 2 230.308 1.335 20 0 BDADLO Cc1cnc([C@H](C)[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000794528521 586042387 /nfs/dbraw/zinc/04/23/87/586042387.db2.gz OAELRFKYEIQDHL-NSHDSACASA-N 1 2 235.331 1.549 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000794578147 586045104 /nfs/dbraw/zinc/04/51/04/586045104.db2.gz WTRZKQHYCCRKHG-NWDGAFQWSA-N 1 2 243.347 1.470 20 0 BDADLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCF ZINC000794753015 586048360 /nfs/dbraw/zinc/04/83/60/586048360.db2.gz PTANKYYLFMTCAD-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCF ZINC000794753015 586048361 /nfs/dbraw/zinc/04/83/61/586048361.db2.gz PTANKYYLFMTCAD-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCF ZINC000795144035 586069398 /nfs/dbraw/zinc/06/93/98/586069398.db2.gz REPGKKFGQGTEKU-QWRGUYRKSA-N 1 2 244.354 1.923 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCCCCF ZINC000795211726 586071964 /nfs/dbraw/zinc/07/19/64/586071964.db2.gz FSPINMCMCAHACB-UHFFFAOYSA-N 1 2 225.267 1.872 20 0 BDADLO CC1(F)C[NH+](CC2(O)CCCCC2)C1 ZINC000795548699 586085007 /nfs/dbraw/zinc/08/50/07/586085007.db2.gz WIWNQVAPHIGELB-UHFFFAOYSA-N 1 2 201.285 1.725 20 0 BDADLO C[N@H+](CCC(F)(F)F)[C@H]1CC(C)(C)OC1=O ZINC000795660657 586090286 /nfs/dbraw/zinc/09/02/86/586090286.db2.gz HMVHHWOLIPMYNJ-ZETCQYMHSA-N 1 2 239.237 1.965 20 0 BDADLO C[N@@H+](CCC(F)(F)F)[C@H]1CC(C)(C)OC1=O ZINC000795660657 586090287 /nfs/dbraw/zinc/09/02/87/586090287.db2.gz HMVHHWOLIPMYNJ-ZETCQYMHSA-N 1 2 239.237 1.965 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795661487 586090468 /nfs/dbraw/zinc/09/04/68/586090468.db2.gz LTAHPBBWFOEWPB-SNVBAGLBSA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795661487 586090469 /nfs/dbraw/zinc/09/04/69/586090469.db2.gz LTAHPBBWFOEWPB-SNVBAGLBSA-N 1 2 227.304 1.382 20 0 BDADLO CC(C)COCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795662614 586090531 /nfs/dbraw/zinc/09/05/31/586090531.db2.gz UWZKPHHYTASFIX-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO CC(C)COCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795662614 586090532 /nfs/dbraw/zinc/09/05/32/586090532.db2.gz UWZKPHHYTASFIX-LLVKDONJSA-N 1 2 243.347 1.685 20 0 BDADLO C[N@H+](C[C@H]1CCCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795699722 586090668 /nfs/dbraw/zinc/09/06/68/586090668.db2.gz PKYAOCRSXYGVFJ-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+](C[C@H]1CCCCO1)[C@H]1CC(C)(C)OC1=O ZINC000795699722 586090669 /nfs/dbraw/zinc/09/06/69/586090669.db2.gz PKYAOCRSXYGVFJ-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO C[N@H+](CCOC1CCC1)[C@H]1CC(C)(C)OC1=O ZINC000795676535 586090752 /nfs/dbraw/zinc/09/07/52/586090752.db2.gz MSWAEXOPTHLOIP-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO C[N@@H+](CCOC1CCC1)[C@H]1CC(C)(C)OC1=O ZINC000795676535 586090753 /nfs/dbraw/zinc/09/07/53/586090753.db2.gz MSWAEXOPTHLOIP-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)[C@H]2CC(C)(C)OC2=O)O1 ZINC000795710381 586091397 /nfs/dbraw/zinc/09/13/97/586091397.db2.gz OUZIHJNCHZWUEE-VWYCJHECSA-N 1 2 241.331 1.580 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)O1 ZINC000795710381 586091398 /nfs/dbraw/zinc/09/13/98/586091398.db2.gz OUZIHJNCHZWUEE-VWYCJHECSA-N 1 2 241.331 1.580 20 0 BDADLO Cn1nccc1C1=CC[N@H+](CCF)CC1 ZINC000796143156 586098220 /nfs/dbraw/zinc/09/82/20/586098220.db2.gz NPNZQCAFAUNYDZ-UHFFFAOYSA-N 1 2 209.268 1.479 20 0 BDADLO Cn1nccc1C1=CC[N@@H+](CCF)CC1 ZINC000796143156 586098221 /nfs/dbraw/zinc/09/82/21/586098221.db2.gz NPNZQCAFAUNYDZ-UHFFFAOYSA-N 1 2 209.268 1.479 20 0 BDADLO CC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H](C)[S@]1=O ZINC000796366424 586101808 /nfs/dbraw/zinc/10/18/08/586101808.db2.gz LJGCTVFIUNCTOK-UXPJFZGESA-N 1 2 235.780 1.970 20 0 BDADLO CC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H](C)[S@]1=O ZINC000796366424 586101809 /nfs/dbraw/zinc/10/18/09/586101809.db2.gz LJGCTVFIUNCTOK-UXPJFZGESA-N 1 2 235.780 1.970 20 0 BDADLO CON(CC(C)(C)C)[C@H](C)C[NH+]1CCOCC1 ZINC000796470157 586104632 /nfs/dbraw/zinc/10/46/32/586104632.db2.gz BHOMWSPIBQYQFD-GFCCVEGCSA-N 1 2 244.379 1.617 20 0 BDADLO CO[C@@H](C)C[N@H+](C)CC(=O)OCC(C)C ZINC000796641150 586109129 /nfs/dbraw/zinc/10/91/29/586109129.db2.gz SVONIJICFLADDL-JTQLQIEISA-N 1 2 217.309 1.152 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)CC(=O)OCC(C)C ZINC000796641150 586109130 /nfs/dbraw/zinc/10/91/30/586109130.db2.gz SVONIJICFLADDL-JTQLQIEISA-N 1 2 217.309 1.152 20 0 BDADLO CC1=C[C@H](C)C[N@H+](Cn2ncn(C)c2=S)C1 ZINC000797419141 586126502 /nfs/dbraw/zinc/12/65/02/586126502.db2.gz CYDUWMOGXIBWFQ-VIFPVBQESA-N 1 2 238.360 1.807 20 0 BDADLO CC1=C[C@H](C)C[N@@H+](Cn2ncn(C)c2=S)C1 ZINC000797419141 586126503 /nfs/dbraw/zinc/12/65/03/586126503.db2.gz CYDUWMOGXIBWFQ-VIFPVBQESA-N 1 2 238.360 1.807 20 0 BDADLO C1=CO[C@H](C[NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000798183876 586138993 /nfs/dbraw/zinc/13/89/93/586138993.db2.gz OMHOHPXXWFFRKM-JTQLQIEISA-N 1 2 235.287 1.729 20 0 BDADLO C[S@@](=O)CCSc1[nH+]cc2ccccn21 ZINC000798233294 586141114 /nfs/dbraw/zinc/14/11/14/586141114.db2.gz BZBOGLGIIFIJLK-OAHLLOKOSA-N 1 2 240.353 1.805 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@H](C)N1CCF ZINC000799168476 586160502 /nfs/dbraw/zinc/16/05/02/586160502.db2.gz RMPAZCFNOFFKFB-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@H](C)N1CCF ZINC000799168476 586160503 /nfs/dbraw/zinc/16/05/03/586160503.db2.gz RMPAZCFNOFFKFB-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1CN(CCF)C[C@H](C)[N@H+]1CCF ZINC000799168476 586160505 /nfs/dbraw/zinc/16/05/05/586160505.db2.gz RMPAZCFNOFFKFB-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1CN(CCF)C[C@H](C)[N@@H+]1CCF ZINC000799168476 586160506 /nfs/dbraw/zinc/16/05/06/586160506.db2.gz RMPAZCFNOFFKFB-AOOOYVTPSA-N 1 2 206.280 1.320 20 0 BDADLO Cc1c[nH]nc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000799716267 586194122 /nfs/dbraw/zinc/19/41/22/586194122.db2.gz OBPFLBLMTOMGCH-SECBINFHSA-N 1 2 245.286 1.419 20 0 BDADLO C[C@H]1C[N@H+](CCC(=O)C(C)(C)C)CC(=O)N1C ZINC000800479461 586222277 /nfs/dbraw/zinc/22/22/77/586222277.db2.gz GSVQRCDFEVPAQR-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C[N@@H+](CCC(=O)C(C)(C)C)CC(=O)N1C ZINC000800479461 586222279 /nfs/dbraw/zinc/22/22/79/586222279.db2.gz GSVQRCDFEVPAQR-JTQLQIEISA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnon2)C[C@@H](C)C1(F)F ZINC000859414271 589035916 /nfs/dbraw/zinc/03/59/16/589035916.db2.gz HQLDSWUHVAJADW-HTQZYQBOSA-N 1 2 231.246 1.793 20 0 BDADLO C[C@H]1C[NH+](Cc2cnn(C)n2)C[C@H](C)C1(F)F ZINC000859416138 589036049 /nfs/dbraw/zinc/03/60/49/589036049.db2.gz ZDIUXQIMBUZBBZ-IUCAKERBSA-N 1 2 244.289 1.538 20 0 BDADLO CCCSCC(=O)OCCCn1cc[nH+]c1 ZINC000801323944 586253475 /nfs/dbraw/zinc/25/34/75/586253475.db2.gz GWMXRQFLSKISGO-UHFFFAOYSA-N 1 2 242.344 1.960 20 0 BDADLO CC(C)(C)C(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801566641 586264713 /nfs/dbraw/zinc/26/47/13/586264713.db2.gz DNDCCFXTVSPWDO-VIFPVBQESA-N 1 2 249.301 1.958 20 0 BDADLO CC(C)(C)C(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801566641 586264714 /nfs/dbraw/zinc/26/47/14/586264714.db2.gz DNDCCFXTVSPWDO-VIFPVBQESA-N 1 2 249.301 1.958 20 0 BDADLO C[S@](=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859478112 589039846 /nfs/dbraw/zinc/03/98/46/589039846.db2.gz RHCOIZZOIFCPOR-HNNXBMFYSA-N 1 2 225.313 1.086 20 0 BDADLO C[S@](=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478112 589039848 /nfs/dbraw/zinc/03/98/48/589039848.db2.gz RHCOIZZOIFCPOR-HNNXBMFYSA-N 1 2 225.313 1.086 20 0 BDADLO CC1(C)OC[C@H](C[N@@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477547 589040257 /nfs/dbraw/zinc/04/02/57/589040257.db2.gz DPWOXHUYXOQSOU-ZDUSSCGKSA-N 1 2 249.310 1.859 20 0 BDADLO CC1(C)OC[C@H](C[N@H+]2Cc3ccc(O)cc3C2)O1 ZINC000859477547 589040259 /nfs/dbraw/zinc/04/02/59/589040259.db2.gz DPWOXHUYXOQSOU-ZDUSSCGKSA-N 1 2 249.310 1.859 20 0 BDADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1(F)CCCC1 ZINC000802239553 586299212 /nfs/dbraw/zinc/29/92/12/586299212.db2.gz LZEXTIOHIDVECG-SNVBAGLBSA-N 1 2 247.285 1.856 20 0 BDADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1(F)CCCC1 ZINC000802239553 586299213 /nfs/dbraw/zinc/29/92/13/586299213.db2.gz LZEXTIOHIDVECG-SNVBAGLBSA-N 1 2 247.285 1.856 20 0 BDADLO CCC[C@@H](C)C(=O)OC1C[NH+](CCOCC)C1 ZINC000802774384 586313544 /nfs/dbraw/zinc/31/35/44/586313544.db2.gz TYRLJOZSMJGVQE-LLVKDONJSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000802822790 586317126 /nfs/dbraw/zinc/31/71/26/586317126.db2.gz POZLGQUIBLVAEN-YPMHNXCESA-N 1 2 248.326 1.874 20 0 BDADLO O=C(OCc1cn[nH]c1)c1ccc2[nH+]ccn2c1 ZINC000803345562 586346252 /nfs/dbraw/zinc/34/62/52/586346252.db2.gz CAFYZMYQDSRWGG-UHFFFAOYSA-N 1 2 242.238 1.414 20 0 BDADLO C[C@@H](C(=O)OCCCCF)[NH+]1CCSCC1 ZINC000803405500 586352162 /nfs/dbraw/zinc/35/21/62/586352162.db2.gz KWOSRFAFRJOCGH-JTQLQIEISA-N 1 2 249.351 1.717 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CN1CCC(C)(C)C1=O ZINC000840000439 586352575 /nfs/dbraw/zinc/35/25/75/586352575.db2.gz PXEPYUNBYJKCQW-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@H]1COCC[N@H+]1CN1CCC(C)(C)C1=O ZINC000840000439 586352578 /nfs/dbraw/zinc/35/25/78/586352578.db2.gz PXEPYUNBYJKCQW-NSHDSACASA-N 1 2 240.347 1.313 20 0 BDADLO CC(C)[C@H](C(=O)O[C@H]1CCCCC1=O)[NH+](C)C ZINC000803701661 586370025 /nfs/dbraw/zinc/37/00/25/586370025.db2.gz GHAIGVTVBCPQSQ-NWDGAFQWSA-N 1 2 241.331 1.628 20 0 BDADLO O=C(/C=C/C1CC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804334066 586391523 /nfs/dbraw/zinc/39/15/23/586391523.db2.gz XQPRCRNMCYLRQQ-GQOHGMTASA-N 1 2 231.299 1.280 20 0 BDADLO O=C(C=C1CCCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804334240 586391794 /nfs/dbraw/zinc/39/17/94/586391794.db2.gz BSTXLXXQZBHGMA-GFCCVEGCSA-N 1 2 245.326 1.815 20 0 BDADLO CSc1cnc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000804460631 586395931 /nfs/dbraw/zinc/39/59/31/586395931.db2.gz LWBZONUTJCOXRY-UHFFFAOYSA-N 1 2 235.316 1.558 20 0 BDADLO CCCS(=O)(=O)CC[NH+](C1CC1)C1CC1 ZINC000859622563 589049945 /nfs/dbraw/zinc/04/99/45/589049945.db2.gz MNBLWEYTGATMJH-UHFFFAOYSA-N 1 2 231.361 1.438 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2C[C@@H](C)O[C@H](C)[C@@H]2C)C1=O ZINC000840054138 586403312 /nfs/dbraw/zinc/40/33/12/586403312.db2.gz QRKJTWVOURUKQY-WHOHXGKFSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@H]1CCN(C[N@H+]2C[C@@H](C)O[C@H](C)[C@@H]2C)C1=O ZINC000840054138 586403313 /nfs/dbraw/zinc/40/33/13/586403313.db2.gz QRKJTWVOURUKQY-WHOHXGKFSA-N 1 2 240.347 1.310 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000806167492 586406840 /nfs/dbraw/zinc/40/68/40/586406840.db2.gz XUYUJDUECCLDCW-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCc2ncccc21 ZINC000807109086 586423738 /nfs/dbraw/zinc/42/37/38/586423738.db2.gz AKQJZDXQZZTDGR-UHFFFAOYSA-N 1 2 242.282 1.327 20 0 BDADLO CC[NH2+]Cc1noc(CN(CC)C2CC2)n1 ZINC000843144308 586424598 /nfs/dbraw/zinc/42/45/98/586424598.db2.gz ALYWHPKDRKJNOM-UHFFFAOYSA-N 1 2 224.308 1.163 20 0 BDADLO CC[NH2+]Cc1noc(CCOCC2CC2)n1 ZINC000843144922 586436891 /nfs/dbraw/zinc/43/68/91/586436891.db2.gz OFTTWOLIPGHWCT-UHFFFAOYSA-N 1 2 225.292 1.148 20 0 BDADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840099977 586446016 /nfs/dbraw/zinc/44/60/16/586446016.db2.gz RATQBFOZLGIFDT-ZYHUDNBSSA-N 1 2 244.310 1.015 20 0 BDADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000840099977 586446017 /nfs/dbraw/zinc/44/60/17/586446017.db2.gz RATQBFOZLGIFDT-ZYHUDNBSSA-N 1 2 244.310 1.015 20 0 BDADLO COc1ncc(C)cc1NCc1cn(C)c[nH+]1 ZINC000808399804 586471067 /nfs/dbraw/zinc/47/10/67/586471067.db2.gz SBJIBEJDDDPLSE-UHFFFAOYSA-N 1 2 232.287 1.744 20 0 BDADLO Cc1cn2c([nH+]1)CN(CCC(=O)C(C)C)CC2 ZINC000808746673 586487086 /nfs/dbraw/zinc/48/70/86/586487086.db2.gz RAYNEGRYIIVKTK-UHFFFAOYSA-N 1 2 235.331 1.622 20 0 BDADLO OC1(C[N@@H+]2CCOCC(F)(F)C2)CCCCC1 ZINC000808784846 586490383 /nfs/dbraw/zinc/49/03/83/586490383.db2.gz ZMSSTVWMRWPRDV-UHFFFAOYSA-N 1 2 249.301 1.649 20 0 BDADLO OC1(C[N@H+]2CCOCC(F)(F)C2)CCCCC1 ZINC000808784846 586490384 /nfs/dbraw/zinc/49/03/84/586490384.db2.gz ZMSSTVWMRWPRDV-UHFFFAOYSA-N 1 2 249.301 1.649 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cc(C)on1 ZINC000809061802 586494930 /nfs/dbraw/zinc/49/49/30/586494930.db2.gz IZYUJBVBUQFQFG-UHFFFAOYSA-N 1 2 248.238 1.744 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)co1 ZINC000809686412 586512824 /nfs/dbraw/zinc/51/28/24/586512824.db2.gz ALQZSZQUTPSVOZ-ZDUSSCGKSA-N 1 2 237.299 1.661 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)co1 ZINC000809686412 586512825 /nfs/dbraw/zinc/51/28/25/586512825.db2.gz ALQZSZQUTPSVOZ-ZDUSSCGKSA-N 1 2 237.299 1.661 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)co1 ZINC000809697135 586513494 /nfs/dbraw/zinc/51/34/94/586513494.db2.gz CEEVWJLGIKZSJM-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)co1 ZINC000809697135 586513495 /nfs/dbraw/zinc/51/34/95/586513495.db2.gz CEEVWJLGIKZSJM-QWHCGFSZSA-N 1 2 237.299 1.659 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cnn(C)n2)c1 ZINC000809986636 586528843 /nfs/dbraw/zinc/52/88/43/586528843.db2.gz MCADXRKKESKFNS-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cnn(C)n2)c1 ZINC000809986636 586528844 /nfs/dbraw/zinc/52/88/44/586528844.db2.gz MCADXRKKESKFNS-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc2ccncc2c1=O ZINC000810009217 586530938 /nfs/dbraw/zinc/53/09/38/586530938.db2.gz SPPGHMIJTWKWAB-UHFFFAOYSA-N 1 2 240.266 1.178 20 0 BDADLO Cc1ncccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000810016278 586531622 /nfs/dbraw/zinc/53/16/22/586531622.db2.gz YWEPWTQMVXBIMM-LLVKDONJSA-N 1 2 235.287 1.567 20 0 BDADLO C[C@@]1([NH2+]C[C@@H](O)CC2CCCC2)CCOC1=O ZINC000810096218 586533770 /nfs/dbraw/zinc/53/37/70/586533770.db2.gz IDOLXGIMZGQHJB-WCQYABFASA-N 1 2 241.331 1.223 20 0 BDADLO C[C@@]1([NH2+]C[C@@H](O)C2CCCCC2)CCOC1=O ZINC000810100010 586534370 /nfs/dbraw/zinc/53/43/70/586534370.db2.gz ZSQCFDOKXJRAQK-DGCLKSJQSA-N 1 2 241.331 1.223 20 0 BDADLO C[C@@]1([NH2+]C[C@H](O)C2CCCCC2)CCOC1=O ZINC000810100012 586534479 /nfs/dbraw/zinc/53/44/79/586534479.db2.gz ZSQCFDOKXJRAQK-WCQYABFASA-N 1 2 241.331 1.223 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000810115228 586534859 /nfs/dbraw/zinc/53/48/59/586534859.db2.gz FZVYSSSRLCEBFH-CMPLNLGQSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1cn2ccsc2n1 ZINC000810140255 586535608 /nfs/dbraw/zinc/53/56/08/586535608.db2.gz ROELRNXFLULGHT-UHFFFAOYSA-N 1 2 247.327 1.717 20 0 BDADLO Cc1cc([C@H](C)[NH2+]C2COC(C)(C)OC2)no1 ZINC000810236953 586537625 /nfs/dbraw/zinc/53/76/25/586537625.db2.gz OPYGLVWOCSRBQH-VIFPVBQESA-N 1 2 240.303 1.785 20 0 BDADLO CCCCNC(=S)N1CCn2c[nH+]cc2C1 ZINC000811711962 586566160 /nfs/dbraw/zinc/56/61/60/586566160.db2.gz CGRIEIIVGRFUKT-UHFFFAOYSA-N 1 2 238.360 1.373 20 0 BDADLO O=C(NOC1CCC1)c1cccc2[nH+]ccn21 ZINC000812795024 586585967 /nfs/dbraw/zinc/58/59/67/586585967.db2.gz URPFDAAZQAHOHN-UHFFFAOYSA-N 1 2 231.255 1.548 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000814176156 586615345 /nfs/dbraw/zinc/61/53/45/586615345.db2.gz OCEALKGNISOTGF-NSHDSACASA-N 1 2 243.328 1.146 20 0 BDADLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000814176156 586615346 /nfs/dbraw/zinc/61/53/46/586615346.db2.gz OCEALKGNISOTGF-NSHDSACASA-N 1 2 243.328 1.146 20 0 BDADLO CO[C@H]1CCC[C@@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000814379824 586621733 /nfs/dbraw/zinc/62/17/33/586621733.db2.gz LIIWXIONBHFRQT-BDAKNGLRSA-N 1 2 242.344 1.411 20 0 BDADLO O=C(NOCC1CC1)Nc1ccc2[nH+]ccn2c1 ZINC000814643642 586627772 /nfs/dbraw/zinc/62/77/72/586627772.db2.gz SHODFJNHGICUSW-UHFFFAOYSA-N 1 2 246.270 1.797 20 0 BDADLO Cc1cccc(F)c1C[NH2+]Cc1cnn(C)n1 ZINC000815127053 586667969 /nfs/dbraw/zinc/66/79/69/586667969.db2.gz KHDCIHMBVJDICH-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO C[C@@H](C(=O)OCCc1c[nH+]cn1C)C(C)(F)F ZINC000816030030 586704500 /nfs/dbraw/zinc/70/45/00/586704500.db2.gz AJNVJFOPKLYHAY-QMMMGPOBSA-N 1 2 246.257 1.797 20 0 BDADLO O=C(C=Cc1ccc[nH]1)N1CCc2[nH]c[nH+]c2C1 ZINC000816652443 586752489 /nfs/dbraw/zinc/75/24/89/586752489.db2.gz KETWVWKYRYQDDD-ARJAWSKDSA-N 1 2 242.282 1.336 20 0 BDADLO O=C(C=Cc1ccc[nH]1)N1CCc2[nH+]c[nH]c2C1 ZINC000816652443 586752490 /nfs/dbraw/zinc/75/24/90/586752490.db2.gz KETWVWKYRYQDDD-ARJAWSKDSA-N 1 2 242.282 1.336 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(Cl)cc1 ZINC000816808341 586764594 /nfs/dbraw/zinc/76/45/94/586764594.db2.gz KRKGPVUSWTUQRN-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO C[C@H]1C[C@H](C)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816816123 586764779 /nfs/dbraw/zinc/76/47/79/586764779.db2.gz MVNMHMXOMQDTSC-UWVGGRQHSA-N 1 2 221.304 1.457 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ccccc2C1 ZINC000816808490 586764798 /nfs/dbraw/zinc/76/47/98/586764798.db2.gz PITUWQLPFOIQOA-UHFFFAOYSA-N 1 2 241.294 1.537 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816810890 586765319 /nfs/dbraw/zinc/76/53/19/586765319.db2.gz DYWQSOGWDXKIAJ-UHFFFAOYSA-N 1 2 231.255 1.600 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000859829115 589064279 /nfs/dbraw/zinc/06/42/79/589064279.db2.gz LEYNEYXZXLTQCT-ZPFDUUQYSA-N 1 2 243.347 1.587 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1cccc(Cl)c1 ZINC000816819664 586766115 /nfs/dbraw/zinc/76/61/15/586766115.db2.gz LTQZRWFAFPSFBB-UHFFFAOYSA-N 1 2 249.701 1.922 20 0 BDADLO CCCCOCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816829703 586766729 /nfs/dbraw/zinc/76/67/29/586766729.db2.gz AZWIEVQUSWWFBA-UHFFFAOYSA-N 1 2 239.319 1.275 20 0 BDADLO CC(C)n1nccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816841158 586767409 /nfs/dbraw/zinc/76/74/09/586767409.db2.gz SEECBNDSSIFJLT-UHFFFAOYSA-N 1 2 233.275 1.368 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC=CCC1 ZINC000816906048 586770406 /nfs/dbraw/zinc/77/04/06/586770406.db2.gz WROXEKHARMKKKT-SNVBAGLBSA-N 1 2 219.288 1.425 20 0 BDADLO CCCN(CC(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000816912172 586771202 /nfs/dbraw/zinc/77/12/02/586771202.db2.gz NEBUSVYZIVFVQN-UHFFFAOYSA-N 1 2 231.246 1.456 20 0 BDADLO CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000816961685 586775016 /nfs/dbraw/zinc/77/50/16/586775016.db2.gz RUOLBBSFMZYGOH-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C[C@@H](C)OC ZINC000817086613 586781483 /nfs/dbraw/zinc/78/14/83/586781483.db2.gz HNHYXXIJXJFYSN-SECBINFHSA-N 1 2 238.287 1.131 20 0 BDADLO CC(=O)N[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000817280459 586792444 /nfs/dbraw/zinc/79/24/44/586792444.db2.gz GUTXSOFUPYGZCN-SGDMMICCSA-N 1 2 237.130 1.516 20 0 BDADLO CC(=O)N[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000817280459 586792446 /nfs/dbraw/zinc/79/24/46/586792446.db2.gz GUTXSOFUPYGZCN-SGDMMICCSA-N 1 2 237.130 1.516 20 0 BDADLO CC[C@@H]1C[N@@H+](Cn2cnnc2)C[C@H](CC)O1 ZINC000817364889 586798913 /nfs/dbraw/zinc/79/89/13/586798913.db2.gz KMCKUHZXRXVDFH-PHIMTYICSA-N 1 2 224.308 1.125 20 0 BDADLO CC[C@@H]1C[N@H+](Cn2cnnc2)C[C@H](CC)O1 ZINC000817364889 586798916 /nfs/dbraw/zinc/79/89/16/586798916.db2.gz KMCKUHZXRXVDFH-PHIMTYICSA-N 1 2 224.308 1.125 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000817733338 586822549 /nfs/dbraw/zinc/82/25/49/586822549.db2.gz ZWEVAWLSZCYSBS-UWVGGRQHSA-N 1 2 227.279 1.374 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CC12CC2 ZINC000817733338 586822551 /nfs/dbraw/zinc/82/25/51/586822551.db2.gz ZWEVAWLSZCYSBS-UWVGGRQHSA-N 1 2 227.279 1.374 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CC12CC2 ZINC000817733339 586822798 /nfs/dbraw/zinc/82/27/98/586822798.db2.gz ZWEVAWLSZCYSBS-VHSXEESVSA-N 1 2 227.279 1.374 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CC12CC2 ZINC000817733339 586822801 /nfs/dbraw/zinc/82/28/01/586822801.db2.gz ZWEVAWLSZCYSBS-VHSXEESVSA-N 1 2 227.279 1.374 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)C1CC1 ZINC000818084712 586871407 /nfs/dbraw/zinc/87/14/07/586871407.db2.gz GGULZYNPNDYVCJ-ZJUUUORDSA-N 1 2 228.292 1.089 20 0 BDADLO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000818957162 586917297 /nfs/dbraw/zinc/91/72/97/586917297.db2.gz RHHWKRWYXXZQOD-ZDUSSCGKSA-N 1 2 249.289 1.680 20 0 BDADLO O=C(/C=C\[C@H]1CCCO1)NCCCn1cc[nH+]c1 ZINC000818998008 586921810 /nfs/dbraw/zinc/92/18/10/586921810.db2.gz OPWHJKAMOSGYPE-QMAVJUDZSA-N 1 2 249.314 1.125 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\[C@H]1CCCO1 ZINC000819022139 586924381 /nfs/dbraw/zinc/92/43/81/586924381.db2.gz CGJBOXPUEDFZPX-ISALQUGTSA-N 1 2 249.314 1.114 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCCO2)cc[nH+]1 ZINC000819274684 586946301 /nfs/dbraw/zinc/94/63/01/586946301.db2.gz JIXVCPVXNMKPQU-ZYOFXKKJSA-N 1 2 232.283 1.486 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C(F)=C1CCC1 ZINC000819489141 586969199 /nfs/dbraw/zinc/96/91/99/586969199.db2.gz YEUIQGXGSMTQEN-UHFFFAOYSA-N 1 2 237.278 1.486 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(F)=C1CCC1 ZINC000819503437 586971219 /nfs/dbraw/zinc/97/12/19/586971219.db2.gz JPIGUOGQQHLMKF-JTQLQIEISA-N 1 2 249.289 1.722 20 0 BDADLO O=C(/C=C/[C@@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c21 ZINC000819544088 586976289 /nfs/dbraw/zinc/97/62/89/586976289.db2.gz JKLBWZGLBHPGSJ-MJKAUQOVSA-N 1 2 247.298 1.179 20 0 BDADLO CSC[C@@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775275 586992389 /nfs/dbraw/zinc/99/23/89/586992389.db2.gz YGHIBCUOMTUCER-RQJHMYQMSA-N 1 2 232.374 1.593 20 0 BDADLO COCCC(C)(C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775921 586992580 /nfs/dbraw/zinc/99/25/80/586992580.db2.gz KWHWKJCEZSYDGM-MRVPVSSYSA-N 1 2 244.360 1.657 20 0 BDADLO CC(C)C[C@H](C[NH2+][C@H](C)CC(=O)[O-])[NH+](C)C ZINC000819966937 587008398 /nfs/dbraw/zinc/00/83/98/587008398.db2.gz IBGGAZRYVOQYRJ-GHMZBOCLSA-N 1 2 230.352 1.416 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CCCNc1cccc[nH+]1 ZINC000820085038 587019751 /nfs/dbraw/zinc/01/97/51/587019751.db2.gz QGZNXSIMAMQYLT-SNVBAGLBSA-N 1 2 237.303 1.336 20 0 BDADLO CCC[C@H](CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000820164216 587030375 /nfs/dbraw/zinc/03/03/75/587030375.db2.gz AFXDYYOHQHMQIK-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO CCC[C@H](CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000820164216 587030377 /nfs/dbraw/zinc/03/03/77/587030377.db2.gz AFXDYYOHQHMQIK-VIFPVBQESA-N 1 2 209.293 1.852 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@@H](O)C3CC3)cc2[nH+]1 ZINC000820185847 587032633 /nfs/dbraw/zinc/03/26/33/587032633.db2.gz DYVTWCLFAHMCDV-LBPRGKRZSA-N 1 2 245.282 1.581 20 0 BDADLO Cc1[nH]c2cc(NC(=O)[C@@H](O)C3CC3)ccc2[nH+]1 ZINC000820185847 587032635 /nfs/dbraw/zinc/03/26/35/587032635.db2.gz DYVTWCLFAHMCDV-LBPRGKRZSA-N 1 2 245.282 1.581 20 0 BDADLO C[C@@H](NC(=O)COC(F)(F)F)c1[nH]cc[nH+]1 ZINC000820191376 587033588 /nfs/dbraw/zinc/03/35/88/587033588.db2.gz CTTPGUSCEPXFEW-RXMQYKEDSA-N 1 2 237.181 1.123 20 0 BDADLO C[NH+](C)[C@H](CNc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000820535191 587052988 /nfs/dbraw/zinc/05/29/88/587052988.db2.gz ILZGQZGSYUDDGE-LLVKDONJSA-N 1 2 249.314 1.532 20 0 BDADLO O=C(/C=C\[C@H]1CCCO1)OCCn1cc[nH+]c1 ZINC000820858414 587078233 /nfs/dbraw/zinc/07/82/33/587078233.db2.gz YEAGMXJTJMYGCI-DLRQAJBASA-N 1 2 236.271 1.162 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CC3(CC3)C2)c1 ZINC000820952019 587083875 /nfs/dbraw/zinc/08/38/75/587083875.db2.gz FWIGMIBNRVZJSI-NSCUHMNNSA-N 1 2 217.272 1.056 20 0 BDADLO CCCCNc1[nH+]c(C)ccc1-c1nn[nH]n1 ZINC000821071335 587093682 /nfs/dbraw/zinc/09/36/82/587093682.db2.gz BDZBKBAESLTLIW-UHFFFAOYSA-N 1 2 232.291 1.782 20 0 BDADLO Cc1ccc(NC(=O)[C@H]2C[C@@H](O)C2)c(N(C)C)[nH+]1 ZINC000821194859 587101098 /nfs/dbraw/zinc/10/10/98/587101098.db2.gz HBYXUOGFAYQZBK-AOOOYVTPSA-N 1 2 249.314 1.165 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccc2nonc2c1 ZINC000821355123 587111413 /nfs/dbraw/zinc/11/14/13/587111413.db2.gz OJKJBUXEAWSMPN-VIFPVBQESA-N 1 2 233.271 1.444 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccc2nonc2c1 ZINC000821355123 587111414 /nfs/dbraw/zinc/11/14/14/587111414.db2.gz OJKJBUXEAWSMPN-VIFPVBQESA-N 1 2 233.271 1.444 20 0 BDADLO CC(C)(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000821817108 587139798 /nfs/dbraw/zinc/13/97/98/587139798.db2.gz BHJFMZWTBLYBSI-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CC(C)C[C@@H](C(=O)N1CCCO1)n1cc[nH+]c1 ZINC000821824793 587140778 /nfs/dbraw/zinc/14/07/78/587140778.db2.gz VYTVJCGGNSCGRO-NSHDSACASA-N 1 2 237.303 1.634 20 0 BDADLO C[C@]1(C(=O)NC2=[NH+]CCS2)CC=CCC1 ZINC000822234424 587159102 /nfs/dbraw/zinc/15/91/02/587159102.db2.gz SGKADPXOCWUOMH-NSHDSACASA-N 1 2 224.329 1.952 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C=CCC2)cc[nH+]1 ZINC000822270634 587159875 /nfs/dbraw/zinc/15/98/75/587159875.db2.gz WJPVBTMGRNKNAV-SNVBAGLBSA-N 1 2 217.272 1.652 20 0 BDADLO CC(C)[C@]1(C)C[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822436999 587167851 /nfs/dbraw/zinc/16/78/51/587167851.db2.gz SXAGHNDUOVOERK-IDOVFVQQSA-N 1 2 247.342 1.984 20 0 BDADLO COC[C@@]1(C)C[N@H+](Cc2cnoc2C)CCO1 ZINC000860203066 589088972 /nfs/dbraw/zinc/08/89/72/589088972.db2.gz VWBLDQGCEWHMEF-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@@]1(C)C[N@@H+](Cc2cnoc2C)CCO1 ZINC000860203066 589088974 /nfs/dbraw/zinc/08/89/74/589088974.db2.gz VWBLDQGCEWHMEF-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(C)o2)no1 ZINC000823065039 587200530 /nfs/dbraw/zinc/20/05/30/587200530.db2.gz TYLYYXQWNQRGLP-ZETCQYMHSA-N 1 2 223.232 1.284 20 0 BDADLO O=C(CC1(O)CCC1)Nc1ccc2[nH+]ccn2c1 ZINC000823275951 587213038 /nfs/dbraw/zinc/21/30/38/587213038.db2.gz BDNTYZBXAUCMQB-UHFFFAOYSA-N 1 2 245.282 1.578 20 0 BDADLO CCC[C@H](CC)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000823345823 587217337 /nfs/dbraw/zinc/21/73/37/587217337.db2.gz BFVPQTGKZJDNIV-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823395263 587219479 /nfs/dbraw/zinc/21/94/79/587219479.db2.gz RGNJCTNRDXZHHS-MRVPVSSYSA-N 1 2 230.670 1.441 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823395263 587219481 /nfs/dbraw/zinc/21/94/81/587219481.db2.gz RGNJCTNRDXZHHS-MRVPVSSYSA-N 1 2 230.670 1.441 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000823395333 587219742 /nfs/dbraw/zinc/21/97/42/587219742.db2.gz TUFDHBFDJMSBND-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1ccnc(Cl)c1F ZINC000823395333 587219743 /nfs/dbraw/zinc/21/97/43/587219743.db2.gz TUFDHBFDJMSBND-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823428246 587221119 /nfs/dbraw/zinc/22/11/19/587221119.db2.gz DDVLISHMLAGGEW-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000823428246 587221120 /nfs/dbraw/zinc/22/11/20/587221120.db2.gz DDVLISHMLAGGEW-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000823459367 587223950 /nfs/dbraw/zinc/22/39/50/587223950.db2.gz SHGAFDQMQVUDRF-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000823459367 587223952 /nfs/dbraw/zinc/22/39/52/587223952.db2.gz SHGAFDQMQVUDRF-SECBINFHSA-N 1 2 228.242 1.581 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000823565176 587231646 /nfs/dbraw/zinc/23/16/46/587231646.db2.gz NQDVQGGOVYPILJ-BDAKNGLRSA-N 1 2 209.293 1.503 20 0 BDADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)C=CCC1 ZINC000823628761 587233406 /nfs/dbraw/zinc/23/34/06/587233406.db2.gz ZJJBOBPKITXVOS-SMDDNHRTSA-N 1 2 245.326 1.670 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000823714292 587237532 /nfs/dbraw/zinc/23/75/32/587237532.db2.gz YJZJOGWBSHUUSX-VWLQNONNSA-N 1 2 245.326 1.738 20 0 BDADLO COCC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000824169745 587259439 /nfs/dbraw/zinc/25/94/39/587259439.db2.gz UQUSSARMTCYHDB-UHFFFAOYSA-N 1 2 245.282 1.281 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(F)ncc2F)CC[C@@H]1O ZINC000824214564 587260565 /nfs/dbraw/zinc/26/05/65/587260565.db2.gz FSYPJGAKNYWBFA-KCJUWKMLSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(F)ncc2F)CC[C@@H]1O ZINC000824214564 587260566 /nfs/dbraw/zinc/26/05/66/587260566.db2.gz FSYPJGAKNYWBFA-KCJUWKMLSA-N 1 2 242.269 1.563 20 0 BDADLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000824277440 587264363 /nfs/dbraw/zinc/26/43/63/587264363.db2.gz UTEQIZSPVURQMF-DCAQKATOSA-N 1 2 245.388 1.915 20 0 BDADLO CCC[C@H](CC)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000824981951 587296976 /nfs/dbraw/zinc/29/69/76/587296976.db2.gz GJUIMAFYIFCJTE-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](CC)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000824981951 587296977 /nfs/dbraw/zinc/29/69/77/587296977.db2.gz GJUIMAFYIFCJTE-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCC1(CC(=O)N[C@@H]2CCn3c[nH+]cc32)COC1 ZINC000825512270 587322549 /nfs/dbraw/zinc/32/25/49/587322549.db2.gz AMESNQNWNBXHIX-SNVBAGLBSA-N 1 2 249.314 1.261 20 0 BDADLO C[C@H](NC(=O)[C@]1(C)C=CCC1)c1[nH+]ccn1C ZINC000825545251 587324665 /nfs/dbraw/zinc/32/46/65/587324665.db2.gz SUKJGSUZUANJSL-GXFFZTMASA-N 1 2 233.315 1.954 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@]2(C)CC2(C)C)c1 ZINC000825682815 587331677 /nfs/dbraw/zinc/33/16/77/587331677.db2.gz BBBQTLRAIQEPSF-URWSZGRFSA-N 1 2 233.315 1.738 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H]2C[C@H]2C)c1-c1nn[nH]n1 ZINC000826313270 587352009 /nfs/dbraw/zinc/35/20/09/587352009.db2.gz ALJFKNKFBLWBLA-BDAKNGLRSA-N 1 2 244.302 1.638 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)O ZINC000826704866 587359528 /nfs/dbraw/zinc/35/95/28/587359528.db2.gz YMBJKMIWELHIRO-LBPRGKRZSA-N 1 2 248.326 1.060 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)O ZINC000826704866 587359529 /nfs/dbraw/zinc/35/95/29/587359529.db2.gz YMBJKMIWELHIRO-LBPRGKRZSA-N 1 2 248.326 1.060 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826785154 587362343 /nfs/dbraw/zinc/36/23/43/587362343.db2.gz PYTHQHMCDOJZGE-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826785154 587362344 /nfs/dbraw/zinc/36/23/44/587362344.db2.gz PYTHQHMCDOJZGE-UHFFFAOYSA-N 1 2 246.314 1.088 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCC2CC=CC2)c1 ZINC000827079327 587369683 /nfs/dbraw/zinc/36/96/83/587369683.db2.gz XGQPOUJBNULUFI-VOTSOKGWSA-N 1 2 231.299 1.516 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC2(CC2)CC1 ZINC000827099226 587369999 /nfs/dbraw/zinc/36/99/99/587369999.db2.gz QTCFWAODZPCZQA-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CC2(CC2(F)F)C1 ZINC000827301231 587376020 /nfs/dbraw/zinc/37/60/20/587376020.db2.gz YAGPJBWPISKDLX-UHFFFAOYSA-N 1 2 241.241 1.461 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NCC(C)(C)F)c1 ZINC000827805620 587403525 /nfs/dbraw/zinc/40/35/25/587403525.db2.gz HWGVGBZMTQHMDB-SNAWJCMRSA-N 1 2 225.267 1.298 20 0 BDADLO O=CN1CCC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC000827871656 587406126 /nfs/dbraw/zinc/40/61/26/587406126.db2.gz FHIBLGYJWCMDTJ-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO O=CN1CCC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC000827871656 587406127 /nfs/dbraw/zinc/40/61/27/587406127.db2.gz FHIBLGYJWCMDTJ-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)CC(C)C ZINC000827929942 587410466 /nfs/dbraw/zinc/41/04/66/587410466.db2.gz CFBNNBZTHPNTTR-GFCCVEGCSA-N 1 2 240.347 1.202 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)CC(C)C ZINC000827929942 587410467 /nfs/dbraw/zinc/41/04/67/587410467.db2.gz CFBNNBZTHPNTTR-GFCCVEGCSA-N 1 2 240.347 1.202 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)CC(C)C ZINC000827929943 587410586 /nfs/dbraw/zinc/41/05/86/587410586.db2.gz CFBNNBZTHPNTTR-LBPRGKRZSA-N 1 2 240.347 1.202 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)CC(C)C ZINC000827929943 587410588 /nfs/dbraw/zinc/41/05/88/587410588.db2.gz CFBNNBZTHPNTTR-LBPRGKRZSA-N 1 2 240.347 1.202 20 0 BDADLO CCOC(=O)[C@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000827936600 587411236 /nfs/dbraw/zinc/41/12/36/587411236.db2.gz POJISESMRTUNMZ-GFCCVEGCSA-N 1 2 239.315 1.361 20 0 BDADLO CCOC(=O)[C@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000827936600 587411238 /nfs/dbraw/zinc/41/12/38/587411238.db2.gz POJISESMRTUNMZ-GFCCVEGCSA-N 1 2 239.315 1.361 20 0 BDADLO CS(=O)(=O)CC[N@H+](CC1=CCCC1)C1CC1 ZINC000828094647 587419029 /nfs/dbraw/zinc/41/90/29/587419029.db2.gz XYPPCGRZPOPKET-UHFFFAOYSA-N 1 2 243.372 1.606 20 0 BDADLO CS(=O)(=O)CC[N@@H+](CC1=CCCC1)C1CC1 ZINC000828094647 587419030 /nfs/dbraw/zinc/41/90/30/587419030.db2.gz XYPPCGRZPOPKET-UHFFFAOYSA-N 1 2 243.372 1.606 20 0 BDADLO c1cn2c([nH+]1)[C@@H](Nc1ncnc3c1CCC3)CC2 ZINC000828357668 587438120 /nfs/dbraw/zinc/43/81/20/587438120.db2.gz LUFTZHRADVCGAJ-NSHDSACASA-N 1 2 241.298 1.719 20 0 BDADLO CCc1cc(NC(CF)CF)nc[nH+]1 ZINC000828404711 587440218 /nfs/dbraw/zinc/44/02/18/587440218.db2.gz DFLUTDOMQHQEOK-UHFFFAOYSA-N 1 2 201.220 1.759 20 0 BDADLO CC[C@](C)(CC(=O)[O-])[NH2+]CC[NH+]1CCCCC1 ZINC000828658387 587455926 /nfs/dbraw/zinc/45/59/26/587455926.db2.gz UYVCLESURQCHFW-CYBMUJFWSA-N 1 2 242.363 1.705 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2OC3CCC2CC3)c1 ZINC000828734135 587459557 /nfs/dbraw/zinc/45/95/57/587459557.db2.gz YKOOCFIOWWBJFU-FARCUNLSSA-N 1 2 247.298 1.518 20 0 BDADLO CC(C)c1cnc(C[NH+]2CC(C)(C(N)=O)C2)o1 ZINC000829051531 587480768 /nfs/dbraw/zinc/48/07/68/587480768.db2.gz LBFVFIUWTZBRGP-UHFFFAOYSA-N 1 2 237.303 1.105 20 0 BDADLO Clc1cc2c(nn1)CN(Cc1c[nH+]c[nH]1)CC2 ZINC000829170262 587486343 /nfs/dbraw/zinc/48/63/43/587486343.db2.gz ZTTCEVKZRSJAQL-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1cc2c(nn1)CN(Cc1c[nH]c[nH+]1)CC2 ZINC000829170262 587486345 /nfs/dbraw/zinc/48/63/45/587486345.db2.gz ZTTCEVKZRSJAQL-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000830185877 587540605 /nfs/dbraw/zinc/54/06/05/587540605.db2.gz KGEVLCDNUOMCMD-HBNTYKKESA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H]1COC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830223823 587542313 /nfs/dbraw/zinc/54/23/13/587542313.db2.gz VFSHFVURDRIZHV-QPUJVOFHSA-N 1 2 245.282 1.328 20 0 BDADLO CN(C)c1cc(C[N@@H+]2CC[C@@H](F)C2)ccn1 ZINC000830479898 587553945 /nfs/dbraw/zinc/55/39/45/587553945.db2.gz LIJLEWKYIUVYKB-LLVKDONJSA-N 1 2 223.295 1.691 20 0 BDADLO CN(C)c1cc(C[N@H+]2CC[C@@H](F)C2)ccn1 ZINC000830479898 587553946 /nfs/dbraw/zinc/55/39/46/587553946.db2.gz LIJLEWKYIUVYKB-LLVKDONJSA-N 1 2 223.295 1.691 20 0 BDADLO Cc1cc(C)nc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000830731733 587565316 /nfs/dbraw/zinc/56/53/16/587565316.db2.gz GAMOTPORKQGCHC-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO O[C@H](C[N@@H+]1CC[C@H](F)C1)c1ccc(F)cn1 ZINC000831195748 587591355 /nfs/dbraw/zinc/59/13/55/587591355.db2.gz LYCSKPFIJRYJGE-GXSJLCMTSA-N 1 2 228.242 1.298 20 0 BDADLO O[C@H](C[N@H+]1CC[C@H](F)C1)c1ccc(F)cn1 ZINC000831195748 587591356 /nfs/dbraw/zinc/59/13/56/587591356.db2.gz LYCSKPFIJRYJGE-GXSJLCMTSA-N 1 2 228.242 1.298 20 0 BDADLO CC[C@@H](C[C@@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC000831302623 587596905 /nfs/dbraw/zinc/59/69/05/587596905.db2.gz IHHBRSIKOGHWEK-ZJUUUORDSA-N 1 2 239.319 1.008 20 0 BDADLO CC[C@@H](C[C@@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC000831302623 587596906 /nfs/dbraw/zinc/59/69/06/587596906.db2.gz IHHBRSIKOGHWEK-ZJUUUORDSA-N 1 2 239.319 1.008 20 0 BDADLO CCON(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000831466920 587611379 /nfs/dbraw/zinc/61/13/79/587611379.db2.gz AFQWAMQYHJEESU-JTQLQIEISA-N 1 2 237.303 1.246 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000831507893 587615124 /nfs/dbraw/zinc/61/51/24/587615124.db2.gz FQFBBRWYZXIIRH-VHSXEESVSA-N 1 2 221.304 1.457 20 0 BDADLO C[C@H]1CC(NC(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000831539538 587617884 /nfs/dbraw/zinc/61/78/84/587617884.db2.gz XLWFWJURLFZTIS-IUCAKERBSA-N 1 2 237.303 1.024 20 0 BDADLO O=C(CCCF)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831607248 587623506 /nfs/dbraw/zinc/62/35/06/587623506.db2.gz KRBXKGNOXBXLEZ-VIFPVBQESA-N 1 2 225.267 1.823 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1F ZINC000831799561 587632436 /nfs/dbraw/zinc/63/24/36/587632436.db2.gz JFVWHYHGKIXEDY-DTWKUNHWSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@H]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000831956588 587638700 /nfs/dbraw/zinc/63/87/00/587638700.db2.gz IGHVLFRFXFXJAI-SMDDNHRTSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000832653779 587673826 /nfs/dbraw/zinc/67/38/26/587673826.db2.gz CIXSSRTWNOFARL-VWYCJHECSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000832653779 587673828 /nfs/dbraw/zinc/67/38/28/587673828.db2.gz CIXSSRTWNOFARL-VWYCJHECSA-N 1 2 247.342 1.819 20 0 BDADLO COc1ccc(N2CC[NH+](CCF)CC2)nc1 ZINC000832685972 587677456 /nfs/dbraw/zinc/67/74/56/587677456.db2.gz NSJQUSXOVKBWMK-UHFFFAOYSA-N 1 2 239.294 1.182 20 0 BDADLO CCc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c32)[nH]n1 ZINC000833300207 587705528 /nfs/dbraw/zinc/70/55/28/587705528.db2.gz NYIARTVGFBIUTF-SECBINFHSA-N 1 2 245.286 1.043 20 0 BDADLO CC(C)(C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(=O)[O-] ZINC000833426513 587714433 /nfs/dbraw/zinc/71/44/33/587714433.db2.gz NXZCPBUZSYSDDK-SNVBAGLBSA-N 1 2 239.319 1.362 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000834370742 587753320 /nfs/dbraw/zinc/75/33/20/587753320.db2.gz DKBIAPRMWNCXDV-OUAUKWLOSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCS1 ZINC000834626135 587761837 /nfs/dbraw/zinc/76/18/37/587761837.db2.gz HBFHMPYOQTYYDJ-RKDXNWHRSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)CCS1 ZINC000834626135 587761838 /nfs/dbraw/zinc/76/18/38/587761838.db2.gz HBFHMPYOQTYYDJ-RKDXNWHRSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCS1 ZINC000834644651 587762670 /nfs/dbraw/zinc/76/26/70/587762670.db2.gz TYNVEGDZWDENTO-VHSXEESVSA-N 1 2 239.344 1.283 20 0 BDADLO CC/C(C)=C/C(=O)OCc1c[nH+]cn1C ZINC000835193472 587787714 /nfs/dbraw/zinc/78/77/14/587787714.db2.gz LOSZLRVISSLRCO-WEVVVXLNSA-N 1 2 208.261 1.820 20 0 BDADLO CC(=O)C(C)(C)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000835910034 587821001 /nfs/dbraw/zinc/82/10/01/587821001.db2.gz QWOZKCFZFPGDBG-NSHDSACASA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]1CC=C(C(=O)NC2=[NH+]CCS2)CC1 ZINC000836250193 587829773 /nfs/dbraw/zinc/82/97/73/587829773.db2.gz RKSBJPNNNPNYLO-MRVPVSSYSA-N 1 2 224.329 1.952 20 0 BDADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccoc1 ZINC000102407182 587831128 /nfs/dbraw/zinc/83/11/28/587831128.db2.gz QHQPFWOADJOPCD-UHFFFAOYSA-N 1 2 231.317 1.146 20 0 BDADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccoc1 ZINC000102407182 587831129 /nfs/dbraw/zinc/83/11/29/587831129.db2.gz QHQPFWOADJOPCD-UHFFFAOYSA-N 1 2 231.317 1.146 20 0 BDADLO C[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000836349234 587831253 /nfs/dbraw/zinc/83/12/53/587831253.db2.gz SLVDQGPHSJYGED-KOLCDFICSA-N 1 2 248.330 1.673 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836457618 587833577 /nfs/dbraw/zinc/83/35/77/587833577.db2.gz XHACKQNUWVJDNQ-UWVGGRQHSA-N 1 2 248.330 1.816 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836442386 587833618 /nfs/dbraw/zinc/83/36/18/587833618.db2.gz IIWDXRGLMBIUKX-OPRDCNLKSA-N 1 2 234.303 1.426 20 0 BDADLO Cc1cc(NC(=O)NOC2CCC2)c(C)c[nH+]1 ZINC000836484117 587834170 /nfs/dbraw/zinc/83/41/70/587834170.db2.gz IDVPUARXYYWAPP-UHFFFAOYSA-N 1 2 235.287 1.726 20 0 BDADLO COC/C=C\C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000867179035 587834785 /nfs/dbraw/zinc/83/47/85/587834785.db2.gz ASDMECUFQUPSJM-TZGMSPROSA-N 1 2 235.287 1.276 20 0 BDADLO Cc1nonc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836956612 587843410 /nfs/dbraw/zinc/84/34/10/587843410.db2.gz XHEJMHOHRFPYLO-SVRRBLITSA-N 1 2 247.258 1.010 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C(=O)C(C)(C)C)c2[nH+]ccn21 ZINC000836952569 587843736 /nfs/dbraw/zinc/84/37/36/587843736.db2.gz BOGBBDKINDVCTF-IUCAKERBSA-N 1 2 249.314 1.620 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C2(F)CCCCC2)C1 ZINC000837541303 587880325 /nfs/dbraw/zinc/88/03/25/587880325.db2.gz ICDDQPHXTSVCMY-UHFFFAOYSA-N 1 2 242.338 1.868 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)C2SCCS2)C1 ZINC000837544796 587880694 /nfs/dbraw/zinc/88/06/94/587880694.db2.gz ULPDUBYLYQYJOS-UHFFFAOYSA-N 1 2 246.401 1.001 20 0 BDADLO CCO/C=C/C(=O)OCc1c[nH+]ccc1OC ZINC000840586451 587913006 /nfs/dbraw/zinc/91/30/06/587913006.db2.gz DYSPYXREZARWFC-FNORWQNLSA-N 1 2 237.255 1.684 20 0 BDADLO C[C@@H]1C[C@@]2(CCO1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000840818213 587923115 /nfs/dbraw/zinc/92/31/15/587923115.db2.gz MOPCZWFBLDILOB-MFKMUULPSA-N 1 2 238.331 1.256 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccoc2C)C1 ZINC000840921790 587930082 /nfs/dbraw/zinc/93/00/82/587930082.db2.gz GMXQBVBRZKYUBO-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccoc2C)C1 ZINC000840921790 587930084 /nfs/dbraw/zinc/93/00/84/587930084.db2.gz GMXQBVBRZKYUBO-GFCCVEGCSA-N 1 2 241.262 1.675 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)nn1 ZINC000840935967 587930924 /nfs/dbraw/zinc/93/09/24/587930924.db2.gz CVJZWXTWJIYGEV-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)nn1 ZINC000840935967 587930925 /nfs/dbraw/zinc/93/09/25/587930925.db2.gz CVJZWXTWJIYGEV-CABZTGNLSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)n(C)n1 ZINC000841878797 587979890 /nfs/dbraw/zinc/97/98/90/587979890.db2.gz IIFUUQXQTLIEGR-UHFFFAOYSA-N 1 2 217.263 1.862 20 0 BDADLO Cc1ccc(C(N)=[NH+]OCC[C@@H](C)O)cc1F ZINC000842021750 587989228 /nfs/dbraw/zinc/98/92/28/587989228.db2.gz MFOPHYGHZORVLT-SECBINFHSA-N 1 2 240.278 1.752 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCc1cscn1 ZINC000842035601 587991422 /nfs/dbraw/zinc/99/14/22/587991422.db2.gz CRNUBWYHTTZVPL-SSDOTTSWSA-N 1 2 229.305 1.219 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCc1cscn1 ZINC000842035603 587991551 /nfs/dbraw/zinc/99/15/51/587991551.db2.gz CRNUBWYHTTZVPL-ZETCQYMHSA-N 1 2 229.305 1.219 20 0 BDADLO CO[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)CC(C)C ZINC000842046850 587992915 /nfs/dbraw/zinc/99/29/15/587992915.db2.gz HENVNZJQACZHPH-QWRGUYRKSA-N 1 2 244.335 1.725 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](CC)OC)C(C)(C)C ZINC000842154365 588004186 /nfs/dbraw/zinc/00/41/86/588004186.db2.gz WITBRZXRDNYPPS-GHMZBOCLSA-N 1 2 245.363 1.979 20 0 BDADLO CSCSC[C@H]1C[N@H+](C)CCO1 ZINC000842653717 588049661 /nfs/dbraw/zinc/04/96/61/588049661.db2.gz RIORHSCTCKNNBJ-MRVPVSSYSA-N 1 2 207.364 1.371 20 0 BDADLO CSCSC[C@H]1C[N@@H+](C)CCO1 ZINC000842653717 588049663 /nfs/dbraw/zinc/04/96/63/588049663.db2.gz RIORHSCTCKNNBJ-MRVPVSSYSA-N 1 2 207.364 1.371 20 0 BDADLO CC(C)CCO[NH+]=C(N)COC[C@@H]1CCOC1 ZINC000842659379 588049975 /nfs/dbraw/zinc/04/99/75/588049975.db2.gz CFTNOBGZZNRXOJ-LLVKDONJSA-N 1 2 244.335 1.584 20 0 BDADLO COc1ncncc1CNc1ccc[nH+]c1C ZINC000842692047 588053161 /nfs/dbraw/zinc/05/31/61/588053161.db2.gz GCGCTYPEFPUHAU-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO CC[NH2+]Cc1noc(/C=C\c2cnn(C)c2)n1 ZINC000843145785 588086736 /nfs/dbraw/zinc/08/67/36/588086736.db2.gz PMXPWUXSCNFNJC-PLNGDYQASA-N 1 2 233.275 1.083 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(F)CC1 ZINC000843571102 588124747 /nfs/dbraw/zinc/12/47/47/588124747.db2.gz PURJKCDFAUPBBD-SNVBAGLBSA-N 1 2 249.289 1.279 20 0 BDADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(F)CC1 ZINC000843779937 588139817 /nfs/dbraw/zinc/13/98/17/588139817.db2.gz FWGPQRVLYAAMNN-UHFFFAOYSA-N 1 2 237.278 1.549 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(F)CC1 ZINC000843806246 588141723 /nfs/dbraw/zinc/14/17/23/588141723.db2.gz RXAFXXVOLSUION-UHFFFAOYSA-N 1 2 239.294 1.657 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)C1(F)CC1 ZINC000843803363 588141861 /nfs/dbraw/zinc/14/18/61/588141861.db2.gz VDNBKSKLXZCDMP-UHFFFAOYSA-N 1 2 237.278 1.502 20 0 BDADLO Cc1nnsc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000844319480 588184352 /nfs/dbraw/zinc/18/43/52/588184352.db2.gz YZPQZLOLPFSJRP-SECBINFHSA-N 1 2 249.343 1.907 20 0 BDADLO COC[C@H]1C[C@@H](O)C[N@@H+]1C/C(Cl)=C\Cl ZINC000844404432 588189936 /nfs/dbraw/zinc/18/99/36/588189936.db2.gz PFCMOPFGGYRLQK-FWZCLXCUSA-N 1 2 240.130 1.387 20 0 BDADLO COC[C@H]1C[C@@H](O)C[N@H+]1C/C(Cl)=C\Cl ZINC000844404432 588189937 /nfs/dbraw/zinc/18/99/37/588189937.db2.gz PFCMOPFGGYRLQK-FWZCLXCUSA-N 1 2 240.130 1.387 20 0 BDADLO COC/C(C)=C\C(=O)NCc1c[nH+]c(C)cc1C ZINC000844563523 588202639 /nfs/dbraw/zinc/20/26/39/588202639.db2.gz IRYKRVLTBWHIDA-YHYXMXQVSA-N 1 2 248.326 1.907 20 0 BDADLO CCn1ncc(CNc2cc(COC)cc[nH+]2)n1 ZINC000844710374 588214824 /nfs/dbraw/zinc/21/48/24/588214824.db2.gz YUQDIWIVZYNZJU-UHFFFAOYSA-N 1 2 247.302 1.452 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@@H](C)C2=O)[C@H](C)CO1 ZINC000844727184 588215212 /nfs/dbraw/zinc/21/52/12/588215212.db2.gz DNTLWPJBQBWFHW-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)[C@H](C)CO1 ZINC000844727184 588215214 /nfs/dbraw/zinc/21/52/14/588215214.db2.gz DNTLWPJBQBWFHW-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@H]1C[N@H+](CN2CCOC2=S)[C@H](C)CO1 ZINC000844734596 588215503 /nfs/dbraw/zinc/21/55/03/588215503.db2.gz XXTBWEZXLAFNQQ-ZJUUUORDSA-N 1 2 244.360 1.060 20 0 BDADLO CC[C@H]1C[N@@H+](CN2CCOC2=S)[C@H](C)CO1 ZINC000844734596 588215504 /nfs/dbraw/zinc/21/55/04/588215504.db2.gz XXTBWEZXLAFNQQ-ZJUUUORDSA-N 1 2 244.360 1.060 20 0 BDADLO C/C=C/COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845277569 588225133 /nfs/dbraw/zinc/22/51/33/588225133.db2.gz HTXUHFPKBNZHAH-FSIBCCDJSA-N 1 2 208.261 1.954 20 0 BDADLO C[C@@H](CC(=O)OCCCF)n1cc[nH+]c1 ZINC000845283126 588225360 /nfs/dbraw/zinc/22/53/60/588225360.db2.gz SVMGJOCABHZWCG-VIFPVBQESA-N 1 2 214.240 1.737 20 0 BDADLO C[C@H](CC(=O)OCC(=O)C1CC1)n1cc[nH+]c1 ZINC000845281136 588225496 /nfs/dbraw/zinc/22/54/96/588225496.db2.gz FZKOCSJSSFEDOC-SECBINFHSA-N 1 2 236.271 1.357 20 0 BDADLO C[C@H](CO)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845286508 588225680 /nfs/dbraw/zinc/22/56/80/588225680.db2.gz XBEDNUTVRVUQQP-NXEZZACHSA-N 1 2 226.276 1.006 20 0 BDADLO C[C@H](CC(=O)OCC(=O)C(F)F)n1cc[nH+]c1 ZINC000845283627 588225871 /nfs/dbraw/zinc/22/58/71/588225871.db2.gz FMKNYVULVWMBEK-SSDOTTSWSA-N 1 2 246.213 1.212 20 0 BDADLO C[C@@H](CC(=O)OCc1nccn1C)n1cc[nH+]c1 ZINC000845495158 588230631 /nfs/dbraw/zinc/23/06/31/588230631.db2.gz UENKCUMUNQZMMO-JTQLQIEISA-N 1 2 248.286 1.311 20 0 BDADLO CCOC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845528031 588232055 /nfs/dbraw/zinc/23/20/55/588232055.db2.gz ROBFPCFEBZZOBX-WDEREUQCSA-N 1 2 240.303 1.802 20 0 BDADLO COC(C)(C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845582694 588234001 /nfs/dbraw/zinc/23/40/01/588234001.db2.gz QKGZLKBGKKPQHJ-SNVBAGLBSA-N 1 2 240.303 1.802 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](COC)CC(C)(C)C ZINC000845962735 588251909 /nfs/dbraw/zinc/25/19/09/588251909.db2.gz APRLVRSTDCYRDP-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000846084954 588255819 /nfs/dbraw/zinc/25/58/19/588255819.db2.gz GGLMLSUOEMYZRN-DTWKUNHWSA-N 1 2 214.309 1.078 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000846088324 588255991 /nfs/dbraw/zinc/25/59/91/588255991.db2.gz XDPHUQJCPSIHPE-OUAUKWLOSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000846088109 588256007 /nfs/dbraw/zinc/25/60/07/588256007.db2.gz HBMYYYRQIYYYQX-GHMZBOCLSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000846091467 588256199 /nfs/dbraw/zinc/25/61/99/588256199.db2.gz MOGCDINXLLNOAB-UWVGGRQHSA-N 1 2 246.376 1.174 20 0 BDADLO CCCC[C@H](C)[C@H](C)[NH2+]CC(=O)NOCC ZINC000846090437 588256263 /nfs/dbraw/zinc/25/62/63/588256263.db2.gz AHZLTWLRKPQFTK-QWRGUYRKSA-N 1 2 230.352 1.859 20 0 BDADLO CCONC(=O)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000846089310 588256379 /nfs/dbraw/zinc/25/63/79/588256379.db2.gz QVWHQGLYIWBNDM-LLVKDONJSA-N 1 2 242.363 1.860 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000846090490 588256437 /nfs/dbraw/zinc/25/64/37/588256437.db2.gz BKGDIPGMBQEVEP-JTQLQIEISA-N 1 2 228.336 1.613 20 0 BDADLO CC(C)(NC(=O)c1cc(C=O)c[nH]1)c1[nH]cc[nH+]1 ZINC000846247113 588262704 /nfs/dbraw/zinc/26/27/04/588262704.db2.gz NVHFAIZYTDJTPC-UHFFFAOYSA-N 1 2 246.270 1.215 20 0 BDADLO CCc1[nH]ccc1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000846652653 588280929 /nfs/dbraw/zinc/28/09/29/588280929.db2.gz GJKCDQNELQHMHZ-LLVKDONJSA-N 1 2 244.298 1.648 20 0 BDADLO CCn1cc[nH+]c1CNc1cncc(OC)c1 ZINC000846749906 588285061 /nfs/dbraw/zinc/28/50/61/588285061.db2.gz HSNBWWHJMVCSNT-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846768529 588286879 /nfs/dbraw/zinc/28/68/79/588286879.db2.gz MXRPLMYIRBZXEP-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846768529 588286880 /nfs/dbraw/zinc/28/68/80/588286880.db2.gz MXRPLMYIRBZXEP-SECBINFHSA-N 1 2 244.697 1.831 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846800351 588289274 /nfs/dbraw/zinc/28/92/74/588289274.db2.gz ZJHWCSPMJBNGND-QMMMGPOBSA-N 1 2 230.670 1.441 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846800351 588289275 /nfs/dbraw/zinc/28/92/75/588289275.db2.gz ZJHWCSPMJBNGND-QMMMGPOBSA-N 1 2 230.670 1.441 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000846810255 588290567 /nfs/dbraw/zinc/29/05/67/588290567.db2.gz AQEZWIDKERKWIU-SECBINFHSA-N 1 2 224.260 1.098 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000846810255 588290568 /nfs/dbraw/zinc/29/05/68/588290568.db2.gz AQEZWIDKERKWIU-SECBINFHSA-N 1 2 224.260 1.098 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838344 588292372 /nfs/dbraw/zinc/29/23/72/588292372.db2.gz YKRWDMYJZSGSLM-IONNQARKSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838344 588292373 /nfs/dbraw/zinc/29/23/73/588292373.db2.gz YKRWDMYJZSGSLM-IONNQARKSA-N 1 2 244.697 1.829 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2cnsn2)[nH]1 ZINC000846840366 588292696 /nfs/dbraw/zinc/29/26/96/588292696.db2.gz HEPZIUOSWYHWFW-SECBINFHSA-N 1 2 235.316 1.598 20 0 BDADLO C[C@H]([NH2+]Cc1cnsn1)c1cn[nH]c1 ZINC000846861400 588294132 /nfs/dbraw/zinc/29/41/32/588294132.db2.gz UJXQGFVQJOFFSM-LURJTMIESA-N 1 2 209.278 1.112 20 0 BDADLO CON1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC000846970359 588299177 /nfs/dbraw/zinc/29/91/77/588299177.db2.gz FAFNRBKPVDIRRC-LLVKDONJSA-N 1 2 236.319 1.025 20 0 BDADLO CON1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000846975516 588299513 /nfs/dbraw/zinc/29/95/13/588299513.db2.gz GCDHUFNPIJRZBN-UHFFFAOYSA-N 1 2 239.319 1.013 20 0 BDADLO CON1CC[NH+](Cc2cccnc2C)CC1 ZINC000846972916 588299529 /nfs/dbraw/zinc/29/95/29/588299529.db2.gz VOSSTEYUBDPORT-UHFFFAOYSA-N 1 2 221.304 1.069 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000847013575 588301566 /nfs/dbraw/zinc/30/15/66/588301566.db2.gz MTCMLRXLWPAEHK-BIIVOSGPSA-N 1 2 240.257 1.317 20 0 BDADLO C[C@@H](c1nccc(N)n1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000847013575 588301567 /nfs/dbraw/zinc/30/15/67/588301567.db2.gz MTCMLRXLWPAEHK-BIIVOSGPSA-N 1 2 240.257 1.317 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCC[C@H](C)O ZINC000847063561 588305478 /nfs/dbraw/zinc/30/54/78/588305478.db2.gz QUNMSZSGNCIRQM-NSHDSACASA-N 1 2 245.363 1.859 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)NN3CCCC3)ccn12 ZINC000848386460 588375851 /nfs/dbraw/zinc/37/58/51/588375851.db2.gz RRBQKNFNLCQGON-UHFFFAOYSA-N 1 2 244.298 1.383 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cn1 ZINC000848514497 588389121 /nfs/dbraw/zinc/38/91/21/588389121.db2.gz YJSJVRSSVXCPKM-NSHDSACASA-N 1 2 235.287 1.567 20 0 BDADLO Cn1ncc2c1nc(N)[nH+]c2NCCC1CCC1 ZINC000848669935 588404649 /nfs/dbraw/zinc/40/46/49/588404649.db2.gz GGMJKMMEEZWGRG-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BDADLO c1c(C[NH+]2CC3(C2)CCOC3)nn2c1CCCC2 ZINC000848915100 588419791 /nfs/dbraw/zinc/41/97/91/588419791.db2.gz XHKVLFJSWCBOQT-UHFFFAOYSA-N 1 2 247.342 1.442 20 0 BDADLO Cn1c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cnc1Cl ZINC000848918864 588420603 /nfs/dbraw/zinc/42/06/03/588420603.db2.gz NSBJFGPBCRXHLX-OCAPTIKFSA-N 1 2 247.676 1.770 20 0 BDADLO Cn1c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cnc1Cl ZINC000848918864 588420605 /nfs/dbraw/zinc/42/06/05/588420605.db2.gz NSBJFGPBCRXHLX-OCAPTIKFSA-N 1 2 247.676 1.770 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCOC1)C(=O)OCc1ccccc1 ZINC000848920389 588420756 /nfs/dbraw/zinc/42/07/56/588420756.db2.gz FSNXAULJCNXMPR-YPMHNXCESA-N 1 2 249.310 1.497 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCOC(F)F)n1 ZINC000849323074 588472557 /nfs/dbraw/zinc/47/25/57/588472557.db2.gz MYKCGIPQMWYDCU-RXMQYKEDSA-N 1 2 221.207 1.268 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(C)C)C1 ZINC000849734598 588491584 /nfs/dbraw/zinc/49/15/84/588491584.db2.gz MAIODYCGPJOJMB-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(C)C)C1 ZINC000849734598 588491585 /nfs/dbraw/zinc/49/15/85/588491585.db2.gz MAIODYCGPJOJMB-MNOVXSKESA-N 1 2 229.320 1.295 20 0 BDADLO Cc1c[nH]c(CNc2ccnn2CC2CC2)[nH+]1 ZINC000850191696 588525636 /nfs/dbraw/zinc/52/56/36/588525636.db2.gz JXKAQHRARNIWLL-UHFFFAOYSA-N 1 2 231.303 1.937 20 0 BDADLO Cc1[nH]c(CNC2COC(C)(C)OC2)[nH+]c1C ZINC000850246840 588531596 /nfs/dbraw/zinc/53/15/96/588531596.db2.gz XJULBEZNTYNWHX-UHFFFAOYSA-N 1 2 239.319 1.268 20 0 BDADLO CCc1nc(C[NH2+]Cc2cn[nH]c2)co1 ZINC000850317189 588536359 /nfs/dbraw/zinc/53/63/59/588536359.db2.gz SYTVYINZUHULAY-UHFFFAOYSA-N 1 2 206.249 1.250 20 0 BDADLO O[C@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)c2ccccc21 ZINC000850372362 588541500 /nfs/dbraw/zinc/54/15/00/588541500.db2.gz TYKACBSNWPCUTK-OLZOCXBDSA-N 1 2 229.283 1.678 20 0 BDADLO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ncc[nH]1 ZINC000850533645 588558300 /nfs/dbraw/zinc/55/83/00/588558300.db2.gz APSSQEAVAIBOJB-VIFPVBQESA-N 1 2 245.330 1.871 20 0 BDADLO COC(=O)N(C)CC[NH2+][C@H](C)c1cn[nH]c1C ZINC000850550567 588559730 /nfs/dbraw/zinc/55/97/30/588559730.db2.gz QOHHFBHKHRAGTJ-MRVPVSSYSA-N 1 2 240.307 1.067 20 0 BDADLO Cc1ccoc1CC(=O)OCc1c[nH+]cn1C ZINC000850869460 588572199 /nfs/dbraw/zinc/57/21/99/588572199.db2.gz VVDQWUBMCRMAJB-UHFFFAOYSA-N 1 2 234.255 1.607 20 0 BDADLO CCC[C@](C)([NH2+]CCOC(F)F)C(=O)OC ZINC000851777338 588626783 /nfs/dbraw/zinc/62/67/83/588626783.db2.gz PAERUPDLUCSOSB-JTQLQIEISA-N 1 2 239.262 1.547 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](OC)C2)[nH]1 ZINC000851800754 588630577 /nfs/dbraw/zinc/63/05/77/588630577.db2.gz QAHAUYZTHQBNHG-DTWKUNHWSA-N 1 2 224.308 1.149 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](OC)C2)[nH]1 ZINC000851800754 588630578 /nfs/dbraw/zinc/63/05/78/588630578.db2.gz QAHAUYZTHQBNHG-DTWKUNHWSA-N 1 2 224.308 1.149 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000851806691 588631361 /nfs/dbraw/zinc/63/13/61/588631361.db2.gz VDLZFEBQINOTTA-CQSZACIVSA-N 1 2 242.326 1.664 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000851806691 588631362 /nfs/dbraw/zinc/63/13/62/588631362.db2.gz VDLZFEBQINOTTA-CQSZACIVSA-N 1 2 242.326 1.664 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(F)n1 ZINC000851812259 588632900 /nfs/dbraw/zinc/63/29/00/588632900.db2.gz CRDBPZFOEBBPPE-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(F)n1 ZINC000851812259 588632901 /nfs/dbraw/zinc/63/29/01/588632901.db2.gz CRDBPZFOEBBPPE-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCOC(F)F)no1 ZINC000851839829 588634293 /nfs/dbraw/zinc/63/42/93/588634293.db2.gz FQDFOYSGCAVKBN-UHFFFAOYSA-N 1 2 235.234 1.442 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1cccc(F)c1 ZINC000851874408 588638145 /nfs/dbraw/zinc/63/81/45/588638145.db2.gz FQURSERZEXPTKC-GFCCVEGCSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1cccc(F)c1 ZINC000851874408 588638146 /nfs/dbraw/zinc/63/81/46/588638146.db2.gz FQURSERZEXPTKC-GFCCVEGCSA-N 1 2 249.289 1.714 20 0 BDADLO Fc1cccc(C[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000851883067 588639299 /nfs/dbraw/zinc/63/92/99/588639299.db2.gz AFPZETMHGLXWCZ-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO Fc1cccc(C[N@H+]2CCOC3(CCC3)C2)n1 ZINC000851883067 588639300 /nfs/dbraw/zinc/63/93/00/588639300.db2.gz AFPZETMHGLXWCZ-UHFFFAOYSA-N 1 2 236.290 1.976 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccsc1 ZINC000851884025 588639869 /nfs/dbraw/zinc/63/98/69/588639869.db2.gz MBRIWXKVLVHQNL-VIFPVBQESA-N 1 2 242.369 1.151 20 0 BDADLO NC(=O)[C@@H]1CSCC[N@H+]1Cc1ccsc1 ZINC000851884025 588639870 /nfs/dbraw/zinc/63/98/70/588639870.db2.gz MBRIWXKVLVHQNL-VIFPVBQESA-N 1 2 242.369 1.151 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2c(C)noc2C)n1 ZINC000851902871 588642191 /nfs/dbraw/zinc/64/21/91/588642191.db2.gz PBIKSJOCIFNJJI-QMMMGPOBSA-N 1 2 249.318 1.754 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCC1=O ZINC000851952087 588647416 /nfs/dbraw/zinc/64/74/16/588647416.db2.gz IDFSVMUHUOKRKP-GXFFZTMASA-N 1 2 234.299 1.026 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCC1=O ZINC000851952087 588647417 /nfs/dbraw/zinc/64/74/17/588647417.db2.gz IDFSVMUHUOKRKP-GXFFZTMASA-N 1 2 234.299 1.026 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnon2)CCC1(F)F ZINC000852056019 588658160 /nfs/dbraw/zinc/65/81/60/588658160.db2.gz HUGUSTDTZPPIRX-ZETCQYMHSA-N 1 2 217.219 1.547 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnon2)CCC1(F)F ZINC000852056019 588658161 /nfs/dbraw/zinc/65/81/61/588658161.db2.gz HUGUSTDTZPPIRX-ZETCQYMHSA-N 1 2 217.219 1.547 20 0 BDADLO O[C@@H](C[N@@H+]1CCn2cncc2C1)c1ccccc1 ZINC000852060106 588658593 /nfs/dbraw/zinc/65/85/93/588658593.db2.gz BURKTPQOCBRLAO-AWEZNQCLSA-N 1 2 243.310 1.432 20 0 BDADLO O[C@@H](C[N@H+]1CCn2cncc2C1)c1ccccc1 ZINC000852060106 588658594 /nfs/dbraw/zinc/65/85/94/588658594.db2.gz BURKTPQOCBRLAO-AWEZNQCLSA-N 1 2 243.310 1.432 20 0 BDADLO O[C@@H](CN1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000852060106 588658595 /nfs/dbraw/zinc/65/85/95/588658595.db2.gz BURKTPQOCBRLAO-AWEZNQCLSA-N 1 2 243.310 1.432 20 0 BDADLO c1nonc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000852137320 588666047 /nfs/dbraw/zinc/66/60/47/588666047.db2.gz NIESNBKDBRIUAV-JTQLQIEISA-N 1 2 225.317 1.397 20 0 BDADLO c1nonc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000852137320 588666048 /nfs/dbraw/zinc/66/60/48/588666048.db2.gz NIESNBKDBRIUAV-JTQLQIEISA-N 1 2 225.317 1.397 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC000852138122 588666539 /nfs/dbraw/zinc/66/65/39/588666539.db2.gz HERFDXDGNWEZJW-ZCFIWIBFSA-N 1 2 223.103 1.255 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC000852138122 588666540 /nfs/dbraw/zinc/66/65/40/588666540.db2.gz HERFDXDGNWEZJW-ZCFIWIBFSA-N 1 2 223.103 1.255 20 0 BDADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000852161594 588668658 /nfs/dbraw/zinc/66/86/58/588668658.db2.gz QWINAYZECBPGAN-NSHDSACASA-N 1 2 225.292 1.461 20 0 BDADLO CCOC[C@@H]1CCCC[N@H+]1Cc1cnon1 ZINC000852161594 588668659 /nfs/dbraw/zinc/66/86/59/588668659.db2.gz QWINAYZECBPGAN-NSHDSACASA-N 1 2 225.292 1.461 20 0 BDADLO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000852168403 588668981 /nfs/dbraw/zinc/66/89/81/588668981.db2.gz USUZIYXNUNPXBM-JTQLQIEISA-N 1 2 246.376 1.361 20 0 BDADLO CC(C)C[N@H+]1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000852168403 588668982 /nfs/dbraw/zinc/66/89/82/588668982.db2.gz USUZIYXNUNPXBM-JTQLQIEISA-N 1 2 246.376 1.361 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000852265941 588675208 /nfs/dbraw/zinc/67/52/08/588675208.db2.gz GYKJFTPWYBNEAI-WDEREUQCSA-N 1 2 246.314 1.216 20 0 BDADLO CCCOC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000852286904 588676085 /nfs/dbraw/zinc/67/60/85/588676085.db2.gz PRZYFNIZPYKISF-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CCCOC(=O)[C@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000852286904 588676086 /nfs/dbraw/zinc/67/60/86/588676086.db2.gz PRZYFNIZPYKISF-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CC(C)C(=O)CC[N@H+](C)Cc1cnc[nH]1 ZINC000852288914 588676319 /nfs/dbraw/zinc/67/63/19/588676319.db2.gz VGKWJSZWPCESNU-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC(C)C(=O)CC[N@@H+](C)Cc1cnc[nH]1 ZINC000852288914 588676320 /nfs/dbraw/zinc/67/63/20/588676320.db2.gz VGKWJSZWPCESNU-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC(C)C(=O)CC[N@H+](C)Cc1c[nH]cn1 ZINC000852288914 588676321 /nfs/dbraw/zinc/67/63/21/588676321.db2.gz VGKWJSZWPCESNU-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC(C)C(=O)CC[N@@H+](C)Cc1c[nH]cn1 ZINC000852288914 588676322 /nfs/dbraw/zinc/67/63/22/588676322.db2.gz VGKWJSZWPCESNU-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c21)C1CC1 ZINC000852363697 588679893 /nfs/dbraw/zinc/67/98/93/588679893.db2.gz SYYGHFKAFXFVKK-MNOVXSKESA-N 1 2 248.330 1.816 20 0 BDADLO CCc1nc(C)c(C[N@H+](CCF)CCOC)o1 ZINC000852479657 588683779 /nfs/dbraw/zinc/68/37/79/588683779.db2.gz IKVMCKOLJHOCQN-UHFFFAOYSA-N 1 2 244.310 1.963 20 0 BDADLO CCc1nc(C)c(C[N@@H+](CCF)CCOC)o1 ZINC000852479657 588683780 /nfs/dbraw/zinc/68/37/80/588683780.db2.gz IKVMCKOLJHOCQN-UHFFFAOYSA-N 1 2 244.310 1.963 20 0 BDADLO CN1CC[N@H+](CC=C(Cl)Cl)CCC1=O ZINC000852576508 588691713 /nfs/dbraw/zinc/69/17/13/588691713.db2.gz CYTUHUCZQHTQCU-UHFFFAOYSA-N 1 2 237.130 1.470 20 0 BDADLO CN1CC[N@@H+](CC=C(Cl)Cl)CCC1=O ZINC000852576508 588691714 /nfs/dbraw/zinc/69/17/14/588691714.db2.gz CYTUHUCZQHTQCU-UHFFFAOYSA-N 1 2 237.130 1.470 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC2(COC2)C1 ZINC000852683858 588695435 /nfs/dbraw/zinc/69/54/35/588695435.db2.gz SFOQBGUVDWAMTG-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC2(COC2)C1 ZINC000852683858 588695436 /nfs/dbraw/zinc/69/54/36/588695436.db2.gz SFOQBGUVDWAMTG-UHFFFAOYSA-N 1 2 241.722 1.296 20 0 BDADLO C[C@H]1C[C@H](C(=O)OCC[NH+]2CCC2)CCC1=O ZINC000861388472 589162638 /nfs/dbraw/zinc/16/26/38/589162638.db2.gz KWUBMMCXDPYFKX-WDEREUQCSA-N 1 2 239.315 1.241 20 0 BDADLO CC(F)(F)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861761391 589176808 /nfs/dbraw/zinc/17/68/08/589176808.db2.gz FMKDIWNUHURUDT-UHFFFAOYSA-N 1 2 229.230 1.340 20 0 BDADLO CC(F)(F)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861761391 589176809 /nfs/dbraw/zinc/17/68/09/589176809.db2.gz FMKDIWNUHURUDT-UHFFFAOYSA-N 1 2 229.230 1.340 20 0 BDADLO CC1(C)CC(C(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000861763635 589177339 /nfs/dbraw/zinc/17/73/39/589177339.db2.gz VEQRZYNJUKTXFN-UHFFFAOYSA-N 1 2 233.315 1.731 20 0 BDADLO CC1(C)CC(C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000861763635 589177340 /nfs/dbraw/zinc/17/73/40/589177340.db2.gz VEQRZYNJUKTXFN-UHFFFAOYSA-N 1 2 233.315 1.731 20 0 BDADLO CCc1cc(C[NH2+]Cc2cnc(C)o2)[nH]n1 ZINC000862279260 589198588 /nfs/dbraw/zinc/19/85/88/589198588.db2.gz MXBGZEFRKJODTH-UHFFFAOYSA-N 1 2 220.276 1.558 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@H](C(F)F)C2)[nH+]1 ZINC000862356221 589202777 /nfs/dbraw/zinc/20/27/77/589202777.db2.gz XYLDHOMUHBMVPI-QMMMGPOBSA-N 1 2 231.246 1.184 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)n1 ZINC000862362647 589203927 /nfs/dbraw/zinc/20/39/27/589203927.db2.gz IQXMOPISAMTLND-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CC[C@H](c3nc(C)no3)C2)n1 ZINC000862362647 589203928 /nfs/dbraw/zinc/20/39/28/589203928.db2.gz IQXMOPISAMTLND-JTQLQIEISA-N 1 2 247.302 1.399 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccnc(F)c1C ZINC000862367650 589204950 /nfs/dbraw/zinc/20/49/50/589204950.db2.gz QABCRIZONMOPKK-UHFFFAOYSA-N 1 2 236.250 1.510 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccnc(F)c1C ZINC000862374892 589205646 /nfs/dbraw/zinc/20/56/46/589205646.db2.gz SDYVANKFRSGWAV-UHFFFAOYSA-N 1 2 239.294 1.226 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccnc(F)c1C ZINC000862374892 589205647 /nfs/dbraw/zinc/20/56/47/589205647.db2.gz SDYVANKFRSGWAV-UHFFFAOYSA-N 1 2 239.294 1.226 20 0 BDADLO CCOC(=O)c1cccc(C[NH+]2CC3(CC3)C2)n1 ZINC000862381609 589206471 /nfs/dbraw/zinc/20/64/71/589206471.db2.gz FBLCSZTVYRPFQP-UHFFFAOYSA-N 1 2 246.310 1.854 20 0 BDADLO Cc1noc(C2CN(Cc3[nH]c(C)c(C)[nH+]3)C2)n1 ZINC000862388780 589207566 /nfs/dbraw/zinc/20/75/66/589207566.db2.gz JNDWDVQSOZYXKN-UHFFFAOYSA-N 1 2 247.302 1.317 20 0 BDADLO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000862488044 589217319 /nfs/dbraw/zinc/21/73/19/589217319.db2.gz ZURQMXQKFMEPPO-JTQLQIEISA-N 1 2 235.287 1.151 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000119184439 589247543 /nfs/dbraw/zinc/24/75/43/589247543.db2.gz VCTUVDNGJZZJGU-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000119184439 589247544 /nfs/dbraw/zinc/24/75/44/589247544.db2.gz VCTUVDNGJZZJGU-SDDRHHMPSA-N 1 2 240.347 1.312 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC000862971786 589250307 /nfs/dbraw/zinc/25/03/07/589250307.db2.gz WKOZOFVVCYIONI-ISALQUGTSA-N 1 2 240.347 1.036 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC000862971786 589250308 /nfs/dbraw/zinc/25/03/08/589250308.db2.gz WKOZOFVVCYIONI-ISALQUGTSA-N 1 2 240.347 1.036 20 0 BDADLO CCc1noc([C@H]2C[N@H+](CC)CCO2)n1 ZINC000863456670 589289649 /nfs/dbraw/zinc/28/96/49/589289649.db2.gz DMMXKTNBMIJRLT-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO CCc1noc([C@H]2C[N@@H+](CC)CCO2)n1 ZINC000863456670 589289650 /nfs/dbraw/zinc/28/96/50/589289650.db2.gz DMMXKTNBMIJRLT-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000863578234 589301096 /nfs/dbraw/zinc/30/10/96/589301096.db2.gz UJOBDJGFRFYQDA-JTQLQIEISA-N 1 2 248.248 1.889 20 0 BDADLO Cc1cc(NC(=O)CCc2cn[nH]c2)cc[nH+]1 ZINC000863852887 589323209 /nfs/dbraw/zinc/32/32/09/589323209.db2.gz GXTMVAUJJUTCSK-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000863930928 589327704 /nfs/dbraw/zinc/32/77/04/589327704.db2.gz VNJUJJHODMHVFR-GHMZBOCLSA-N 1 2 245.282 1.765 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000863930928 589327706 /nfs/dbraw/zinc/32/77/06/589327706.db2.gz VNJUJJHODMHVFR-GHMZBOCLSA-N 1 2 245.282 1.765 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)C2(CCC2)CO1 ZINC000864049969 589335181 /nfs/dbraw/zinc/33/51/81/589335181.db2.gz PSXFFWYUGVVLSC-SNVBAGLBSA-N 1 2 248.330 1.202 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C2(CCC2)CO1 ZINC000864049969 589335183 /nfs/dbraw/zinc/33/51/83/589335183.db2.gz PSXFFWYUGVVLSC-SNVBAGLBSA-N 1 2 248.330 1.202 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C2(CCC2)CO1 ZINC000864059624 589336674 /nfs/dbraw/zinc/33/66/74/589336674.db2.gz MZZMNYDPWCYQMA-JTQLQIEISA-N 1 2 249.314 1.122 20 0 BDADLO C[C@H](O)c1ccc(N2C[C@@H]3COC[C@@]3(C)C2)[nH+]c1 ZINC000864088397 589342933 /nfs/dbraw/zinc/34/29/33/589342933.db2.gz AMXMWZFHHMNQOM-ZKYQVNSYSA-N 1 2 248.326 1.608 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2C[C@@H](O)C23CCC3)[nH+]1 ZINC000864093392 589344499 /nfs/dbraw/zinc/34/44/99/589344499.db2.gz PDVZOOXYLWIXIY-ZMLRMANQSA-N 1 2 248.326 1.850 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864384911 589357364 /nfs/dbraw/zinc/35/73/64/589357364.db2.gz IGIPIKUTISHNQW-NXEZZACHSA-N 1 2 248.317 1.878 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864384911 589357365 /nfs/dbraw/zinc/35/73/65/589357365.db2.gz IGIPIKUTISHNQW-NXEZZACHSA-N 1 2 248.317 1.878 20 0 BDADLO CCCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864387845 589357757 /nfs/dbraw/zinc/35/77/57/589357757.db2.gz WEGOQNARTBRSQN-AATRIKPKSA-N 1 2 240.347 1.181 20 0 BDADLO CC[C@H]1CCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864392040 589357886 /nfs/dbraw/zinc/35/78/86/589357886.db2.gz HJJXQEPOBIGWNT-ONGXEEELSA-N 1 2 237.303 1.234 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@]12C[C@H]1CCCC2 ZINC000864413577 589360026 /nfs/dbraw/zinc/36/00/26/589360026.db2.gz PSHJQLCWVXPGPF-TZMCWYRMSA-N 1 2 247.342 1.970 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000864414089 589360113 /nfs/dbraw/zinc/36/01/13/589360113.db2.gz ZISSWUXVSFTRCS-MROQNXINSA-N 1 2 247.342 1.682 20 0 BDADLO CCC(CC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864433208 589363020 /nfs/dbraw/zinc/36/30/20/589363020.db2.gz KEZNJCZAZXZLKB-AATRIKPKSA-N 1 2 240.347 1.180 20 0 BDADLO Cc1ccc(CN(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)o1 ZINC000864503258 589374807 /nfs/dbraw/zinc/37/48/07/589374807.db2.gz IDBIPHQSYLQBKL-LLVKDONJSA-N 1 2 249.270 1.003 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000864868553 589399132 /nfs/dbraw/zinc/39/91/32/589399132.db2.gz VWOJFMZASNVTEM-WRWGMCAJSA-N 1 2 233.315 1.291 20 0 BDADLO CN(CC1CCCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865048879 589406343 /nfs/dbraw/zinc/40/63/43/589406343.db2.gz BNHBSLCULVULJK-LLVKDONJSA-N 1 2 237.303 1.092 20 0 BDADLO CC[C@@H](C)N(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865081450 589407713 /nfs/dbraw/zinc/40/77/13/589407713.db2.gz BVKXETAAKGSZGW-BTDICHCPSA-N 1 2 240.347 1.132 20 0 BDADLO COC/C=C\C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865159017 589411976 /nfs/dbraw/zinc/41/19/76/589411976.db2.gz NUEDQAQKURMCFJ-KTLBGCOUSA-N 1 2 249.314 1.249 20 0 BDADLO CSCCNC(=S)N(C)Cc1[nH]cc[nH+]1 ZINC000865261835 589417022 /nfs/dbraw/zinc/41/70/22/589417022.db2.gz DOUHXLQHZVKWFQ-UHFFFAOYSA-N 1 2 244.389 1.079 20 0 BDADLO CON(C)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375307 589428026 /nfs/dbraw/zinc/42/80/26/589428026.db2.gz IJWNBPYSZARQPA-UHFFFAOYSA-N 1 2 225.292 1.200 20 0 BDADLO CN(C)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375167 589428447 /nfs/dbraw/zinc/42/84/47/589428447.db2.gz RILFOBZTXUIXLD-UHFFFAOYSA-N 1 2 209.293 1.269 20 0 BDADLO CC(C)(C)c1cn(CCOCCO)c[nH+]1 ZINC000865375197 589428528 /nfs/dbraw/zinc/42/85/28/589428528.db2.gz GBMSSXJXRZMQRV-UHFFFAOYSA-N 1 2 212.293 1.190 20 0 BDADLO CCn1ncc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865376581 589428919 /nfs/dbraw/zinc/42/89/19/589428919.db2.gz UZAZBZGBYXMHJE-UHFFFAOYSA-N 1 2 233.319 1.840 20 0 BDADLO CNC(=O)CCNc1cc(CC(C)C)[nH+]cn1 ZINC000865453122 589437077 /nfs/dbraw/zinc/43/70/77/589437077.db2.gz DVFRJEVDGYSVJO-UHFFFAOYSA-N 1 2 236.319 1.223 20 0 BDADLO CCc1cc(C[NH2+]Cc2cn(C3CC3)cn2)[nH]n1 ZINC000865462598 589437980 /nfs/dbraw/zinc/43/79/80/589437980.db2.gz QHPYEDXFYNKKCC-UHFFFAOYSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865534577 589444398 /nfs/dbraw/zinc/44/43/98/589444398.db2.gz AWOCNMRDSFAOJD-NHCYSSNCSA-N 1 2 238.331 1.954 20 0 BDADLO CC(C)Cc1cc(NCC[S@@](C)=O)nc[nH+]1 ZINC000865541396 589444784 /nfs/dbraw/zinc/44/47/84/589444784.db2.gz LVPOWANBONNVSX-MRXNPFEDSA-N 1 2 241.360 1.466 20 0 BDADLO CC(C)Cc1cc(N[C@H](C)CCO)nc[nH+]1 ZINC000865548136 589445280 /nfs/dbraw/zinc/44/52/80/589445280.db2.gz WTKFOIXALWXHPQ-SNVBAGLBSA-N 1 2 223.320 1.858 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865569135 589447629 /nfs/dbraw/zinc/44/76/29/589447629.db2.gz GRPPICWWQCHJEZ-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000865569135 589447631 /nfs/dbraw/zinc/44/76/31/589447631.db2.gz GRPPICWWQCHJEZ-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccn(C)n1 ZINC000865601405 589450644 /nfs/dbraw/zinc/45/06/44/589450644.db2.gz RQZGOUHSWJNQJJ-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO C[C@H](NCc1cn(C2CC2)c[nH+]1)c1ccn(C)n1 ZINC000865601405 589450646 /nfs/dbraw/zinc/45/06/46/589450646.db2.gz RQZGOUHSWJNQJJ-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO CCCNc1cc(NCCc2nnc[nH]2)nc[nH+]1 ZINC000865613094 589451024 /nfs/dbraw/zinc/45/10/24/589451024.db2.gz TYBHUNGBHIZYMU-UHFFFAOYSA-N 1 2 247.306 1.071 20 0 BDADLO CCCNc1cc(NCCc2nnc[nH]2)[nH+]cn1 ZINC000865613094 589451026 /nfs/dbraw/zinc/45/10/26/589451026.db2.gz TYBHUNGBHIZYMU-UHFFFAOYSA-N 1 2 247.306 1.071 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H](CO)CC2CC2)[nH+]c1 ZINC000865640465 589453557 /nfs/dbraw/zinc/45/35/57/589453557.db2.gz JBGHKCCBHHQORH-JOYOIKCWSA-N 1 2 236.315 1.708 20 0 BDADLO CC[C@@]1(O)CCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865690682 589456098 /nfs/dbraw/zinc/45/60/98/589456098.db2.gz LIDXVEHNEJNCOC-ZWNOBZJWSA-N 1 2 236.315 1.486 20 0 BDADLO Cn1ncc(C[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC000865697076 589456965 /nfs/dbraw/zinc/45/69/65/589456965.db2.gz RMUDORGOQIPKMI-VHSXEESVSA-N 1 2 212.272 1.185 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1ccnc(F)c1 ZINC000865723330 589458486 /nfs/dbraw/zinc/45/84/86/589458486.db2.gz XNTMCNCZAMVWMH-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO CC1(C)CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000865771681 589461433 /nfs/dbraw/zinc/46/14/33/589461433.db2.gz MMHQNZVOUBPGEY-SNVBAGLBSA-N 1 2 237.303 1.092 20 0 BDADLO CCCn1cc(C[NH2+][C@@H](C)c2ccnn2C)nn1 ZINC000865838620 589464481 /nfs/dbraw/zinc/46/44/81/589464481.db2.gz YSDWWVMYSFUWTF-JTQLQIEISA-N 1 2 248.334 1.272 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H]2CC[C@H]2O)[nH+]c1 ZINC000865889469 589467483 /nfs/dbraw/zinc/46/74/83/589467483.db2.gz KSCKMRWNHQSTOM-SZEHBUNVSA-N 1 2 208.261 1.070 20 0 BDADLO CC(C)Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000865909534 589468220 /nfs/dbraw/zinc/46/82/20/589468220.db2.gz TXEZKISNTLQFIU-JGZJWPJOSA-N 1 2 248.330 1.351 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]cn1)C(OC)OC ZINC000865923609 589468732 /nfs/dbraw/zinc/46/87/32/589468732.db2.gz SEIIKHWKUFICTG-SECBINFHSA-N 1 2 225.292 1.594 20 0 BDADLO CC[C@H](C)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000120800718 589468828 /nfs/dbraw/zinc/46/88/28/589468828.db2.gz RLSVZYPMHUFTCA-VHSXEESVSA-N 1 2 231.361 1.765 20 0 BDADLO CC/C=C(/F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000866002232 589471870 /nfs/dbraw/zinc/47/18/70/589471870.db2.gz PLIRFLOLYOMBDL-CGGZTBSLSA-N 1 2 239.294 1.899 20 0 BDADLO CC/C=C(/F)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000866002233 589472114 /nfs/dbraw/zinc/47/21/14/589472114.db2.gz PLIRFLOLYOMBDL-KRPLZJQNSA-N 1 2 239.294 1.899 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866042638 589473520 /nfs/dbraw/zinc/47/35/20/589473520.db2.gz CJEZNMAGHKOUND-CXWACVEQSA-N 1 2 246.310 1.926 20 0 BDADLO CN(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000866146877 589478287 /nfs/dbraw/zinc/47/82/87/589478287.db2.gz AUEJOOBFZGSUCO-LBPRGKRZSA-N 1 2 233.315 1.444 20 0 BDADLO CN(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000866146877 589478288 /nfs/dbraw/zinc/47/82/88/589478288.db2.gz AUEJOOBFZGSUCO-LBPRGKRZSA-N 1 2 233.315 1.444 20 0 BDADLO COC(=O)[C@]12C[C@H]1C[C@H](Nc1cc[nH+]c(C)n1)C2 ZINC000866171361 589478944 /nfs/dbraw/zinc/47/89/44/589478944.db2.gz OUZRQZXWVJASCP-NRUUGDAUSA-N 1 2 247.298 1.539 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](O)CC(C)(C)C1 ZINC000866227558 589481619 /nfs/dbraw/zinc/48/16/19/589481619.db2.gz FHOYRANCOUWLKU-SNVBAGLBSA-N 1 2 236.315 1.687 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccnn1C ZINC000866614521 589505020 /nfs/dbraw/zinc/50/50/20/589505020.db2.gz MSXJSWDHRKNNGJ-OUAUKWLOSA-N 1 2 245.330 1.973 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCOC12CCCC2 ZINC000890409129 589530551 /nfs/dbraw/zinc/53/05/51/589530551.db2.gz DNJKCVVVDADGHR-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO CC(C)(CNC(=O)OCC1CC1)n1cc[nH+]c1 ZINC000867723199 589532313 /nfs/dbraw/zinc/53/23/13/589532313.db2.gz ZNSMXDWXPBQSNH-UHFFFAOYSA-N 1 2 237.303 1.754 20 0 BDADLO CC1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000867832527 589535952 /nfs/dbraw/zinc/53/59/52/589535952.db2.gz LIAIHFWRNSQNRK-SNVBAGLBSA-N 1 2 246.301 1.442 20 0 BDADLO CC1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000867832527 589535953 /nfs/dbraw/zinc/53/59/53/589535953.db2.gz LIAIHFWRNSQNRK-SNVBAGLBSA-N 1 2 246.301 1.442 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@](C)(CO)C1CC1 ZINC000121881398 589537759 /nfs/dbraw/zinc/53/77/59/589537759.db2.gz VXYPJPYMWOZBEB-ZDUSSCGKSA-N 1 2 249.314 1.673 20 0 BDADLO CCC(CC)N(CC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868398667 589557011 /nfs/dbraw/zinc/55/70/11/589557011.db2.gz UYYDVLLWNWFJLV-LLVKDONJSA-N 1 2 239.319 1.480 20 0 BDADLO O=C(N1CCc2[nH]c[nH+]c2C1)[C@]12C[C@H]1CCCC2 ZINC000868426575 589557700 /nfs/dbraw/zinc/55/77/00/589557700.db2.gz GRIYHPMESBTQGD-QMTHXVAHSA-N 1 2 245.326 1.875 20 0 BDADLO O=C(N1CCc2[nH+]c[nH]c2C1)[C@]12C[C@H]1CCCC2 ZINC000868426575 589557703 /nfs/dbraw/zinc/55/77/03/589557703.db2.gz GRIYHPMESBTQGD-QMTHXVAHSA-N 1 2 245.326 1.875 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000868426841 589557939 /nfs/dbraw/zinc/55/79/39/589557939.db2.gz LCMWKNFOIYGPFL-LMLFDSFASA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000868426841 589557941 /nfs/dbraw/zinc/55/79/41/589557941.db2.gz LCMWKNFOIYGPFL-LMLFDSFASA-N 1 2 245.326 1.587 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000868525294 589562828 /nfs/dbraw/zinc/56/28/28/589562828.db2.gz SGPSPWIQUMHHNA-UWVGGRQHSA-N 1 2 236.319 1.740 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1C(F)F ZINC000868606612 589566444 /nfs/dbraw/zinc/56/64/44/589566444.db2.gz XRYRHPPOLRBGKU-QMMMGPOBSA-N 1 2 229.230 1.127 20 0 BDADLO O=C(CCC1(O)CCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000868620890 589568214 /nfs/dbraw/zinc/56/82/14/589568214.db2.gz LMESLAXYWMTDOZ-SNVBAGLBSA-N 1 2 249.314 1.139 20 0 BDADLO CC[C@H](C)CONC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868639560 589569868 /nfs/dbraw/zinc/56/98/68/589569868.db2.gz JHEGGQCAYYEGSK-VIFPVBQESA-N 1 2 240.307 1.529 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@]12C[C@H]1CCCC2 ZINC000868699638 589573904 /nfs/dbraw/zinc/57/39/04/589573904.db2.gz XTSNONKUJJFHGI-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO CCOC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000869769154 589629223 /nfs/dbraw/zinc/62/92/23/589629223.db2.gz WGNNNMPZLWRVAO-UHFFFAOYSA-N 1 2 240.303 1.632 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@]12C[C@H]1CCCC2 ZINC000870534576 589672310 /nfs/dbraw/zinc/67/23/10/589672310.db2.gz GQDLBAQBVXCAPK-BXKDBHETSA-N 1 2 219.288 1.401 20 0 BDADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)C[N@@H+]2C ZINC000871600657 589773060 /nfs/dbraw/zinc/77/30/60/589773060.db2.gz BNBSINXPQBSNOM-BXKDBHETSA-N 1 2 210.321 1.591 20 0 BDADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)C[N@H+]2C ZINC000871600657 589773062 /nfs/dbraw/zinc/77/30/62/589773062.db2.gz BNBSINXPQBSNOM-BXKDBHETSA-N 1 2 210.321 1.591 20 0 BDADLO FC(F)Cn1cc[nH+]c1CSc1nc[nH]n1 ZINC000871631274 589779331 /nfs/dbraw/zinc/77/93/31/589779331.db2.gz AXOSURGYLGCBSO-UHFFFAOYSA-N 1 2 245.258 1.559 20 0 BDADLO CC[C@@H](Sc1nc(N)cc(C)[nH+]1)C(C)=O ZINC000871640090 589780935 /nfs/dbraw/zinc/78/09/35/589780935.db2.gz JCVOCBIAQHTFKN-MRVPVSSYSA-N 1 2 225.317 1.827 20 0 BDADLO CCOCCCO[NH+]=C(N)COC1CCC1 ZINC000871776165 589814091 /nfs/dbraw/zinc/81/40/91/589814091.db2.gz SLKKSQQJRNLYBG-UHFFFAOYSA-N 1 2 230.308 1.481 20 0 BDADLO CC[C@@H](CO[NH+]=C(N)COC1CCC1)OC ZINC000871778853 589815319 /nfs/dbraw/zinc/81/53/19/589815319.db2.gz WBUQNGYGKLVTAN-VIFPVBQESA-N 1 2 230.308 1.479 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccnn2C)n1 ZINC000871925868 589832864 /nfs/dbraw/zinc/83/28/64/589832864.db2.gz FOLQOUVJNHSWQO-BDAKNGLRSA-N 1 2 249.318 1.777 20 0 BDADLO CSC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989050 589853913 /nfs/dbraw/zinc/85/39/13/589853913.db2.gz JLWVLOWQCDYQNS-VIFPVBQESA-N 1 2 228.361 1.905 20 0 BDADLO CC[C@H](NCc1nonc1C)c1[nH+]ccn1C ZINC000872135050 589877982 /nfs/dbraw/zinc/87/79/82/589877982.db2.gz CGSXIXRQBYNOIL-VIFPVBQESA-N 1 2 235.291 1.352 20 0 BDADLO Cc1nonc1CN[C@H]1CCCn2cc[nH+]c21 ZINC000872134253 589878228 /nfs/dbraw/zinc/87/82/28/589878228.db2.gz BBJKIDSAGMJFHK-VIFPVBQESA-N 1 2 233.275 1.199 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NCc1nonc1C ZINC000872137855 589879832 /nfs/dbraw/zinc/87/98/32/589879832.db2.gz XHEZQKCHQFXXIN-SECBINFHSA-N 1 2 235.291 1.445 20 0 BDADLO CC[C@H]([NH2+]Cc1nonc1C)c1cnn(C)c1 ZINC000872138001 589879928 /nfs/dbraw/zinc/87/99/28/589879928.db2.gz YSLXPEOHYGMZLT-JTQLQIEISA-N 1 2 235.291 1.352 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000124038984 589907110 /nfs/dbraw/zinc/90/71/10/589907110.db2.gz XTUPBKPNYVSZDG-NSHDSACASA-N 1 2 223.272 1.807 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccoc1 ZINC000124038984 589907112 /nfs/dbraw/zinc/90/71/12/589907112.db2.gz XTUPBKPNYVSZDG-NSHDSACASA-N 1 2 223.272 1.807 20 0 BDADLO O=C1NCCC12CCN(c1cccc[nH+]1)CC2 ZINC000872642578 589958099 /nfs/dbraw/zinc/95/80/99/589958099.db2.gz VAROYIDJBSYZPU-UHFFFAOYSA-N 1 2 231.299 1.188 20 0 BDADLO CC(C)c1nc(NC[C@H]2C[C@H](O)C2)cc[nH+]1 ZINC000872720466 589965233 /nfs/dbraw/zinc/96/52/33/589965233.db2.gz QDBAKUWRRPQCDN-MGCOHNPYSA-N 1 2 221.304 1.783 20 0 BDADLO Cc1nonc1CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000872777746 589969018 /nfs/dbraw/zinc/96/90/18/589969018.db2.gz NNZAFLQDXISTSZ-MRVPVSSYSA-N 1 2 234.259 1.438 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc(N)cn2)[C@H](C)[C@H](C)O1 ZINC000873207360 589994101 /nfs/dbraw/zinc/99/41/01/589994101.db2.gz AIYQARWZHMTALK-BBBLOLIVSA-N 1 2 236.319 1.057 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)[C@H](C)[C@H](C)O1 ZINC000873207360 589994103 /nfs/dbraw/zinc/99/41/03/589994103.db2.gz AIYQARWZHMTALK-BBBLOLIVSA-N 1 2 236.319 1.057 20 0 BDADLO CC[C@H](OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)=O ZINC000873385385 590035951 /nfs/dbraw/zinc/03/59/51/590035951.db2.gz VAGQVVGVFBJOGY-NHCYSSNCSA-N 1 2 241.331 1.770 20 0 BDADLO CC[C@@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(C)=O ZINC000873393399 590037102 /nfs/dbraw/zinc/03/71/02/590037102.db2.gz NUCACRZCIQLBOS-LLVKDONJSA-N 1 2 241.331 1.772 20 0 BDADLO CCC(C)(C)[C@H](O)C(=O)NC1=[NH+]CCS1 ZINC000873838053 590074073 /nfs/dbraw/zinc/07/40/73/590074073.db2.gz PQCPNBYHQGUGFZ-SSDOTTSWSA-N 1 2 230.333 1.003 20 0 BDADLO COC[C@@H](C)OC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000124760923 590083824 /nfs/dbraw/zinc/08/38/24/590083824.db2.gz QIMYYTPLKBETEK-NXEZZACHSA-N 1 2 247.360 1.002 20 0 BDADLO C[C@H](O)c1ccc(N2CCC[C@H](O)C2)[nH+]c1 ZINC000124928053 590102031 /nfs/dbraw/zinc/10/20/31/590102031.db2.gz CFSLYOCZYDMGLO-ONGXEEELSA-N 1 2 222.288 1.096 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874701022 590124273 /nfs/dbraw/zinc/12/42/73/590124273.db2.gz QOILYYUMVZVOKT-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874701022 590124275 /nfs/dbraw/zinc/12/42/75/590124275.db2.gz QOILYYUMVZVOKT-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC12CCC2 ZINC000874779588 590131153 /nfs/dbraw/zinc/13/11/53/590131153.db2.gz AOOJDGQDSOTTNU-SNVBAGLBSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC12CCC2 ZINC000874779588 590131156 /nfs/dbraw/zinc/13/11/56/590131156.db2.gz AOOJDGQDSOTTNU-SNVBAGLBSA-N 1 2 219.288 1.401 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000874783823 590134798 /nfs/dbraw/zinc/13/47/98/590134798.db2.gz CVRHDWUCJZVXHH-CMPLNLGQSA-N 1 2 245.326 1.504 20 0 BDADLO CCn1ncc(NC(=O)Cc2c[nH+]cn2C)c1C ZINC000874815974 590140344 /nfs/dbraw/zinc/14/03/44/590140344.db2.gz SLTLFUUAALINMH-UHFFFAOYSA-N 1 2 247.302 1.126 20 0 BDADLO CCC1(NC(=O)NCc2c[nH+]cn2C)CC1 ZINC000876305643 590194537 /nfs/dbraw/zinc/19/45/37/590194537.db2.gz OZLDTLWUIDQMCF-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO C[C@H]1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)CO1 ZINC000888719769 590195749 /nfs/dbraw/zinc/19/57/49/590195749.db2.gz PGNQBFMNFLRRBZ-JBLZRFIASA-N 1 2 249.314 1.026 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)Nc1conc1C ZINC000888726714 590197696 /nfs/dbraw/zinc/19/76/96/590197696.db2.gz OEMFVCZHALYGAM-UHFFFAOYSA-N 1 2 249.274 1.521 20 0 BDADLO COc1cnc(F)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000876528593 590209091 /nfs/dbraw/zinc/20/90/91/590209091.db2.gz ZLLXPYUHWJNTAL-JTQLQIEISA-N 1 2 240.278 1.186 20 0 BDADLO COc1cnc(F)c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000876528593 590209093 /nfs/dbraw/zinc/20/90/93/590209093.db2.gz ZLLXPYUHWJNTAL-JTQLQIEISA-N 1 2 240.278 1.186 20 0 BDADLO CCCn1cc(C[N@H+](C)CCOCC)nn1 ZINC000877172382 590296498 /nfs/dbraw/zinc/29/64/98/590296498.db2.gz QFJPQROJICFOGJ-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCCn1cc(C[N@@H+](C)CCOCC)nn1 ZINC000877172382 590296499 /nfs/dbraw/zinc/29/64/99/590296499.db2.gz QFJPQROJICFOGJ-UHFFFAOYSA-N 1 2 226.324 1.156 20 0 BDADLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](C)OC ZINC000877302559 590310319 /nfs/dbraw/zinc/31/03/19/590310319.db2.gz GDAZRSWBBPMTRW-KOLCDFICSA-N 1 2 229.320 1.343 20 0 BDADLO C[N@H+](Cc1nc(Cl)cs1)C1CC(O)C1 ZINC000877344216 590317986 /nfs/dbraw/zinc/31/79/86/590317986.db2.gz FKKJNCIJOHTPNV-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO C[N@@H+](Cc1nc(Cl)cs1)C1CC(O)C1 ZINC000877344216 590317987 /nfs/dbraw/zinc/31/79/87/590317987.db2.gz FKKJNCIJOHTPNV-UHFFFAOYSA-N 1 2 232.736 1.752 20 0 BDADLO OC[C@]12C[C@H]1C[N@H+](Cc1nc(Cl)cs1)C2 ZINC000877462127 590332818 /nfs/dbraw/zinc/33/28/18/590332818.db2.gz ORTWKOLGQMZURI-OIBJUYFYSA-N 1 2 244.747 1.611 20 0 BDADLO OC[C@]12C[C@H]1C[N@@H+](Cc1nc(Cl)cs1)C2 ZINC000877462127 590332821 /nfs/dbraw/zinc/33/28/21/590332821.db2.gz ORTWKOLGQMZURI-OIBJUYFYSA-N 1 2 244.747 1.611 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877470311 590334637 /nfs/dbraw/zinc/33/46/37/590334637.db2.gz BOCRJVJDJJYSIR-RNFRBKRXSA-N 1 2 240.130 1.721 20 0 BDADLO c1c(C[NH+]2CC3(CC3)C2)nnn1C[C@H]1CCCO1 ZINC000877556733 590357858 /nfs/dbraw/zinc/35/78/58/590357858.db2.gz YMBVEUNXXHEXOE-GFCCVEGCSA-N 1 2 248.330 1.053 20 0 BDADLO CCn1ncc(C[NH+]2CCC(CCF)CC2)n1 ZINC000877675432 590390318 /nfs/dbraw/zinc/39/03/18/590390318.db2.gz YYZRINPBFBTBPQ-UHFFFAOYSA-N 1 2 240.326 1.870 20 0 BDADLO CO[C@H](C)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877715199 590398937 /nfs/dbraw/zinc/39/89/37/590398937.db2.gz BBQKAIVQZZQJSH-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO CO[C@H](C)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877715199 590398939 /nfs/dbraw/zinc/39/89/39/590398939.db2.gz BBQKAIVQZZQJSH-BDAKNGLRSA-N 1 2 241.253 1.675 20 0 BDADLO Cn1c[nH+]cc1CN1CC(OC(C)(C)C)C1 ZINC000877772187 590422484 /nfs/dbraw/zinc/42/24/84/590422484.db2.gz RUEKBJPGJBOZSG-UHFFFAOYSA-N 1 2 223.320 1.419 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1ccc(F)nc1 ZINC000877780069 590422874 /nfs/dbraw/zinc/42/28/74/590422874.db2.gz JRJKYGHNTGZQLU-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1ccc(F)nc1 ZINC000877780069 590422877 /nfs/dbraw/zinc/42/28/77/590422877.db2.gz JRJKYGHNTGZQLU-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO Cc1ccc2c(c1)C(=O)N[C@H](c1c[nH]c[nH+]1)N2 ZINC000877861094 590433391 /nfs/dbraw/zinc/43/33/91/590433391.db2.gz FSRPIVALSNGPLP-LLVKDONJSA-N 1 2 228.255 1.572 20 0 BDADLO Cc1coc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000877949390 590454429 /nfs/dbraw/zinc/45/44/29/590454429.db2.gz CVCXBYCMKWXHFM-UHFFFAOYSA-N 1 2 233.271 1.605 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nocc1C ZINC000877964279 590460460 /nfs/dbraw/zinc/46/04/60/590460460.db2.gz PDRTZADKTJDGTN-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nocc1C ZINC000877964279 590460458 /nfs/dbraw/zinc/46/04/58/590460458.db2.gz PDRTZADKTJDGTN-QWRGUYRKSA-N 1 2 224.304 1.982 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000877995701 590468746 /nfs/dbraw/zinc/46/87/46/590468746.db2.gz JPCDROVKIKRGLC-SNVBAGLBSA-N 1 2 246.376 1.361 20 0 BDADLO CC(C)[C@H]1CCC[N@H+]1CC(=O)N=S(C)(C)=O ZINC000877995701 590468748 /nfs/dbraw/zinc/46/87/48/590468748.db2.gz JPCDROVKIKRGLC-SNVBAGLBSA-N 1 2 246.376 1.361 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878040488 590478175 /nfs/dbraw/zinc/47/81/75/590478175.db2.gz LWJKTJOPSVPPJF-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000878040488 590478177 /nfs/dbraw/zinc/47/81/77/590478177.db2.gz LWJKTJOPSVPPJF-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)[C@H]1CC[N@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878182624 590517710 /nfs/dbraw/zinc/51/77/10/590517710.db2.gz OSQNEEONVMRDCJ-JTQLQIEISA-N 1 2 246.376 1.219 20 0 BDADLO CC(C)[C@H]1CC[N@@H+](CC(=O)N=S(C)(C)=O)C1 ZINC000878182624 590517713 /nfs/dbraw/zinc/51/77/13/590517713.db2.gz OSQNEEONVMRDCJ-JTQLQIEISA-N 1 2 246.376 1.219 20 0 BDADLO Cc1coc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000878216382 590524952 /nfs/dbraw/zinc/52/49/52/590524952.db2.gz IBQGOGZDPUTIQP-SNVBAGLBSA-N 1 2 233.271 1.603 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000878215949 590525169 /nfs/dbraw/zinc/52/51/69/590525169.db2.gz BOUQNGSSRAXDHR-WXHSDQCUSA-N 1 2 247.342 1.824 20 0 BDADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000878340285 590550621 /nfs/dbraw/zinc/55/06/21/590550621.db2.gz UMEPTDDPNDQIHV-JTQLQIEISA-N 1 2 217.284 1.067 20 0 BDADLO CC(C)(O)C[C@H](O)C[N@H+]1CCC=C(F)C1 ZINC000878340285 590550623 /nfs/dbraw/zinc/55/06/23/590550623.db2.gz UMEPTDDPNDQIHV-JTQLQIEISA-N 1 2 217.284 1.067 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477116 590574784 /nfs/dbraw/zinc/57/47/84/590574784.db2.gz GSSXXRZGOZPVGU-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000878477116 590574787 /nfs/dbraw/zinc/57/47/87/590574787.db2.gz GSSXXRZGOZPVGU-ZJUUUORDSA-N 1 2 237.290 1.095 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000878538281 590588653 /nfs/dbraw/zinc/58/86/53/590588653.db2.gz YGGMIDAPYMAWSD-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000878538281 590588654 /nfs/dbraw/zinc/58/86/54/590588654.db2.gz YGGMIDAPYMAWSD-GHMZBOCLSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nccn1CC(F)F ZINC000878684324 590609165 /nfs/dbraw/zinc/60/91/65/590609165.db2.gz GGKUVPJHXJECBZ-RKDXNWHRSA-N 1 2 245.273 1.103 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nccn1CC(F)F ZINC000878684324 590609166 /nfs/dbraw/zinc/60/91/66/590609166.db2.gz GGKUVPJHXJECBZ-RKDXNWHRSA-N 1 2 245.273 1.103 20 0 BDADLO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878691152 590610740 /nfs/dbraw/zinc/61/07/40/590610740.db2.gz WXAJVSIVYYVABK-VIFPVBQESA-N 1 2 246.376 1.504 20 0 BDADLO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878691152 590610742 /nfs/dbraw/zinc/61/07/42/590610742.db2.gz WXAJVSIVYYVABK-VIFPVBQESA-N 1 2 246.376 1.504 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]CC1CC2(CCC2)C1 ZINC000878700110 590611813 /nfs/dbraw/zinc/61/18/13/590611813.db2.gz NAVDPDXGAHUXSW-LBPRGKRZSA-N 1 2 241.331 1.080 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755374 590618818 /nfs/dbraw/zinc/61/88/18/590618818.db2.gz DQONETUJXXBOOD-CHWSQXEVSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755374 590618819 /nfs/dbraw/zinc/61/88/19/590618819.db2.gz DQONETUJXXBOOD-CHWSQXEVSA-N 1 2 246.310 1.577 20 0 BDADLO O=S1(=O)CC[C@@H](C[N@H+]2CCC=C(Cl)C2)C1 ZINC000878791175 590623161 /nfs/dbraw/zinc/62/31/61/590623161.db2.gz IBGOLFZXXCVGGN-VIFPVBQESA-N 1 2 249.763 1.250 20 0 BDADLO O=S1(=O)CC[C@@H](C[N@@H+]2CCC=C(Cl)C2)C1 ZINC000878791175 590623162 /nfs/dbraw/zinc/62/31/62/590623162.db2.gz IBGOLFZXXCVGGN-VIFPVBQESA-N 1 2 249.763 1.250 20 0 BDADLO O=C(C[N@H+]1CCC=C(Cl)C1)N1CCC1 ZINC000878793284 590624045 /nfs/dbraw/zinc/62/40/45/590624045.db2.gz LHRGUIODOHXTEF-UHFFFAOYSA-N 1 2 214.696 1.047 20 0 BDADLO O=C(C[N@@H+]1CCC=C(Cl)C1)N1CCC1 ZINC000878793284 590624046 /nfs/dbraw/zinc/62/40/46/590624046.db2.gz LHRGUIODOHXTEF-UHFFFAOYSA-N 1 2 214.696 1.047 20 0 BDADLO C[N@@H+]1CCN(CC[S@@](C)=O)C[C@@H]1C(C)(C)C ZINC000878841133 590630430 /nfs/dbraw/zinc/63/04/30/590630430.db2.gz UFZVSQJWANSZHA-BDJLRTHQSA-N 1 2 246.420 1.027 20 0 BDADLO C[N@H+]1CCN(CC[S@@](C)=O)C[C@@H]1C(C)(C)C ZINC000878841133 590630431 /nfs/dbraw/zinc/63/04/31/590630431.db2.gz UFZVSQJWANSZHA-BDJLRTHQSA-N 1 2 246.420 1.027 20 0 BDADLO c1n[nH]cc1[C@@H]1CCC[N@H+]1Cc1cnon1 ZINC000878876730 590638296 /nfs/dbraw/zinc/63/82/96/590638296.db2.gz RYLVZORNMNJLPJ-JTQLQIEISA-N 1 2 219.248 1.130 20 0 BDADLO c1n[nH]cc1[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC000878876730 590638299 /nfs/dbraw/zinc/63/82/99/590638299.db2.gz RYLVZORNMNJLPJ-JTQLQIEISA-N 1 2 219.248 1.130 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878884788 590639772 /nfs/dbraw/zinc/63/97/72/590639772.db2.gz LWEBPLJLIVPALX-DRZSPHRISA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878884788 590639773 /nfs/dbraw/zinc/63/97/73/590639773.db2.gz LWEBPLJLIVPALX-DRZSPHRISA-N 1 2 235.331 1.799 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878884788 590639776 /nfs/dbraw/zinc/63/97/76/590639776.db2.gz LWEBPLJLIVPALX-DRZSPHRISA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878884788 590639778 /nfs/dbraw/zinc/63/97/78/590639778.db2.gz LWEBPLJLIVPALX-DRZSPHRISA-N 1 2 235.331 1.799 20 0 BDADLO C=C/C=C\CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878914772 590650449 /nfs/dbraw/zinc/65/04/49/590650449.db2.gz JKRMBBZWUSMHRI-UMBAGQNISA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C\CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878914772 590650453 /nfs/dbraw/zinc/65/04/53/590650453.db2.gz JKRMBBZWUSMHRI-UMBAGQNISA-N 1 2 217.259 1.821 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000878968841 590662664 /nfs/dbraw/zinc/66/26/64/590662664.db2.gz CIZHDGGPQRCHBT-NEPJUHHUSA-N 1 2 241.331 1.393 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000878968841 590662667 /nfs/dbraw/zinc/66/26/67/590662667.db2.gz CIZHDGGPQRCHBT-NEPJUHHUSA-N 1 2 241.331 1.393 20 0 BDADLO CO[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000878969802 590663221 /nfs/dbraw/zinc/66/32/21/590663221.db2.gz CRLZTMNPRKHPIG-ZDUSSCGKSA-N 1 2 247.298 1.139 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC000878970269 590665562 /nfs/dbraw/zinc/66/55/62/590665562.db2.gz MEAVXQPMDNDWTM-CYBMUJFWSA-N 1 2 239.290 1.961 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC000878970269 590665564 /nfs/dbraw/zinc/66/55/64/590665564.db2.gz MEAVXQPMDNDWTM-CYBMUJFWSA-N 1 2 239.290 1.961 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@H](O)C(C)C)s1 ZINC000878997826 590674002 /nfs/dbraw/zinc/67/40/02/590674002.db2.gz HRTHTVKSBDAKMQ-JTQLQIEISA-N 1 2 243.376 1.685 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@H](O)C(C)C)s1 ZINC000878997826 590674004 /nfs/dbraw/zinc/67/40/04/590674004.db2.gz HRTHTVKSBDAKMQ-JTQLQIEISA-N 1 2 243.376 1.685 20 0 BDADLO Cc1ncoc1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000879070433 590691663 /nfs/dbraw/zinc/69/16/63/590691663.db2.gz XGAIUFHCXJEYIL-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CC23CCC3)cc[nH+]1 ZINC000879070480 590692027 /nfs/dbraw/zinc/69/20/27/590692027.db2.gz JYUNBAMAACHTBQ-LLVKDONJSA-N 1 2 231.299 1.876 20 0 BDADLO Cc1cc(NC(=O)NC[C@H]2C=CCC2)cc[nH+]1 ZINC000879070060 590692468 /nfs/dbraw/zinc/69/24/68/590692468.db2.gz HCACSWHTRRMTJU-NSHDSACASA-N 1 2 231.299 1.900 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC12CCC2 ZINC000879073733 590693195 /nfs/dbraw/zinc/69/31/95/590693195.db2.gz WJBUTBLONFNKTK-NSHDSACASA-N 1 2 231.299 1.876 20 0 BDADLO CC(=O)Nc1cccc2c1C[N@H+](CCF)CC2 ZINC000879237096 590718819 /nfs/dbraw/zinc/71/88/19/590718819.db2.gz VLQIHTBAHYFQJB-UHFFFAOYSA-N 1 2 236.290 1.973 20 0 BDADLO CC(=O)Nc1cccc2c1C[N@@H+](CCF)CC2 ZINC000879237096 590718820 /nfs/dbraw/zinc/71/88/20/590718820.db2.gz VLQIHTBAHYFQJB-UHFFFAOYSA-N 1 2 236.290 1.973 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326209 590745581 /nfs/dbraw/zinc/74/55/81/590745581.db2.gz QHZLFQKJZKBUOZ-SCZZXKLOSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326209 590745582 /nfs/dbraw/zinc/74/55/82/590745582.db2.gz QHZLFQKJZKBUOZ-SCZZXKLOSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326211 590745744 /nfs/dbraw/zinc/74/57/44/590745744.db2.gz QHZLFQKJZKBUOZ-WPRPVWTQSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326211 590745745 /nfs/dbraw/zinc/74/57/45/590745745.db2.gz QHZLFQKJZKBUOZ-WPRPVWTQSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326210 590746724 /nfs/dbraw/zinc/74/67/24/590746724.db2.gz QHZLFQKJZKBUOZ-WCBMZHEXSA-N 1 2 224.308 1.112 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC000879326210 590746727 /nfs/dbraw/zinc/74/67/27/590746727.db2.gz QHZLFQKJZKBUOZ-WCBMZHEXSA-N 1 2 224.308 1.112 20 0 BDADLO NC(=O)[C@H](C1CC1)[N@@H+](Cc1ccon1)CC1CC1 ZINC000879487422 590781117 /nfs/dbraw/zinc/78/11/17/590781117.db2.gz WMMSQQBATMBDTP-LBPRGKRZSA-N 1 2 249.314 1.151 20 0 BDADLO NC(=O)[C@H](C1CC1)[N@H+](Cc1ccon1)CC1CC1 ZINC000879487422 590781120 /nfs/dbraw/zinc/78/11/20/590781120.db2.gz WMMSQQBATMBDTP-LBPRGKRZSA-N 1 2 249.314 1.151 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)OCC(F)(F)F ZINC000879519328 590787651 /nfs/dbraw/zinc/78/76/51/590787651.db2.gz QDHZBZGCYCLDNQ-UHFFFAOYSA-N 1 2 223.198 1.346 20 0 BDADLO CC1(C)C[C@H](O)C[N@H+](Cc2cnns2)C1 ZINC000879624533 590837205 /nfs/dbraw/zinc/83/72/05/590837205.db2.gz WFACAFIGFMUGSZ-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO CC1(C)C[C@H](O)C[N@@H+](Cc2cnns2)C1 ZINC000879624533 590837207 /nfs/dbraw/zinc/83/72/07/590837207.db2.gz WFACAFIGFMUGSZ-QMMMGPOBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623986 590837778 /nfs/dbraw/zinc/83/77/78/590837778.db2.gz KDFUTIFJBSWALY-RKDXNWHRSA-N 1 2 241.360 1.692 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623986 590837780 /nfs/dbraw/zinc/83/77/80/590837780.db2.gz KDFUTIFJBSWALY-RKDXNWHRSA-N 1 2 241.360 1.692 20 0 BDADLO CC(=O)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879761503 590866252 /nfs/dbraw/zinc/86/62/52/590866252.db2.gz JPUMXSPZSJKASS-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC(=O)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879761503 590866256 /nfs/dbraw/zinc/86/62/56/590866256.db2.gz JPUMXSPZSJKASS-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](CC)OC ZINC000879981916 590904399 /nfs/dbraw/zinc/90/43/99/590904399.db2.gz XGDBDXYLJSSVGB-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO Cn1cnnc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002821 590907206 /nfs/dbraw/zinc/90/72/06/590907206.db2.gz RGGMAIQOWNMSSD-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cnnc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002821 590907208 /nfs/dbraw/zinc/90/72/08/590907208.db2.gz RGGMAIQOWNMSSD-SECBINFHSA-N 1 2 248.252 1.589 20 0 BDADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](CCF)CC2 ZINC000880031210 590912426 /nfs/dbraw/zinc/91/24/26/590912426.db2.gz MJRMAQKPWIYAPH-UHFFFAOYSA-N 1 2 236.290 1.973 20 0 BDADLO CC(=O)Nc1ccc2c(c1)C[N@H+](CCF)CC2 ZINC000880031210 590912427 /nfs/dbraw/zinc/91/24/27/590912427.db2.gz MJRMAQKPWIYAPH-UHFFFAOYSA-N 1 2 236.290 1.973 20 0 BDADLO FCC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880049383 590914625 /nfs/dbraw/zinc/91/46/25/590914625.db2.gz OPALPURKTCFNBN-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO FCC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880049383 590914628 /nfs/dbraw/zinc/91/46/28/590914628.db2.gz OPALPURKTCFNBN-SSDOTTSWSA-N 1 2 215.190 1.609 20 0 BDADLO CCc1noc(C[N@H+](C)C2(COC)CCC2)n1 ZINC000880187190 590954582 /nfs/dbraw/zinc/95/45/82/590954582.db2.gz GDDCMKHCAYLZBG-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CCc1noc(C[N@@H+](C)C2(COC)CCC2)n1 ZINC000880187190 590954584 /nfs/dbraw/zinc/95/45/84/590954584.db2.gz GDDCMKHCAYLZBG-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO FC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000880239730 590972670 /nfs/dbraw/zinc/97/26/70/590972670.db2.gz OLSAWUHLFSBNJA-UHFFFAOYSA-N 1 2 238.310 1.548 20 0 BDADLO COCc1noc(C[NH+]2CCC(F)CC2)n1 ZINC000880240096 590973917 /nfs/dbraw/zinc/97/39/17/590973917.db2.gz MBXITZYDUAESAX-UHFFFAOYSA-N 1 2 229.255 1.150 20 0 BDADLO CCCn1ncnc1C[NH+]1CCC(F)CC1 ZINC000880240107 590974487 /nfs/dbraw/zinc/97/44/87/590974487.db2.gz ZINQOERZWRBPCH-UHFFFAOYSA-N 1 2 226.299 1.622 20 0 BDADLO FC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000880243117 590976048 /nfs/dbraw/zinc/97/60/48/590976048.db2.gz UNNRJYWHWCZDFD-UHFFFAOYSA-N 1 2 225.267 1.881 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](CF)C2)no1 ZINC000880299361 590994575 /nfs/dbraw/zinc/99/45/75/590994575.db2.gz RUKRZGGTHVRKAP-VXNVDRBHSA-N 1 2 213.256 1.730 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](CF)C2)no1 ZINC000880299361 590994578 /nfs/dbraw/zinc/99/45/78/590994578.db2.gz RUKRZGGTHVRKAP-VXNVDRBHSA-N 1 2 213.256 1.730 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880299944 590995673 /nfs/dbraw/zinc/99/56/73/590995673.db2.gz MQXONPBIIULBGX-VIFPVBQESA-N 1 2 238.310 1.484 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880299944 590995675 /nfs/dbraw/zinc/99/56/75/590995675.db2.gz MQXONPBIIULBGX-VIFPVBQESA-N 1 2 238.310 1.484 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1nccn1C(F)F ZINC000880440662 591042791 /nfs/dbraw/zinc/04/27/91/591042791.db2.gz HQUUJBANFWPVMR-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1nccn1C(F)F ZINC000880440662 591042795 /nfs/dbraw/zinc/04/27/95/591042795.db2.gz HQUUJBANFWPVMR-RKDXNWHRSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ncc(Cl)n1C ZINC000880440709 591043227 /nfs/dbraw/zinc/04/32/27/591043227.db2.gz IOJSCIANWQBXOY-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ncc(Cl)n1C ZINC000880440709 591043228 /nfs/dbraw/zinc/04/32/28/591043228.db2.gz IOJSCIANWQBXOY-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO OCC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880446749 591047079 /nfs/dbraw/zinc/04/70/79/591047079.db2.gz QBIKUWXQHKVINH-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO OCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880446749 591047082 /nfs/dbraw/zinc/04/70/82/591047082.db2.gz QBIKUWXQHKVINH-UHFFFAOYSA-N 1 2 213.227 1.315 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@@H]2CO)cs1 ZINC000880485574 591059210 /nfs/dbraw/zinc/05/92/10/591059210.db2.gz JANKOTNLFHNHND-SNVBAGLBSA-N 1 2 210.302 1.184 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@@H]2CO)cs1 ZINC000880485574 591059214 /nfs/dbraw/zinc/05/92/14/591059214.db2.gz JANKOTNLFHNHND-SNVBAGLBSA-N 1 2 210.302 1.184 20 0 BDADLO CCCc1nc(C[N@@H+]2CC=C[C@@H]2CO)cs1 ZINC000880483939 591057225 /nfs/dbraw/zinc/05/72/25/591057225.db2.gz JZSRBXORGZDFIL-LLVKDONJSA-N 1 2 238.356 1.828 20 0 BDADLO CCCc1nc(C[N@H+]2CC=C[C@@H]2CO)cs1 ZINC000880483939 591057229 /nfs/dbraw/zinc/05/72/29/591057229.db2.gz JZSRBXORGZDFIL-LLVKDONJSA-N 1 2 238.356 1.828 20 0 BDADLO Cc1cccc2nc(C[N@@H+]3CC=C[C@H]3CO)cn21 ZINC000880485460 591058427 /nfs/dbraw/zinc/05/84/27/591058427.db2.gz HLOFLGLKBUBCNW-ZDUSSCGKSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1cccc2nc(C[N@H+]3CC=C[C@H]3CO)cn21 ZINC000880485460 591058429 /nfs/dbraw/zinc/05/84/29/591058429.db2.gz HLOFLGLKBUBCNW-ZDUSSCGKSA-N 1 2 243.310 1.375 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@H]2CO)sc1C ZINC000880485467 591058459 /nfs/dbraw/zinc/05/84/59/591058459.db2.gz CYUHULUKQITZKD-JTQLQIEISA-N 1 2 224.329 1.493 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@H]2CO)sc1C ZINC000880485467 591058463 /nfs/dbraw/zinc/05/84/63/591058463.db2.gz CYUHULUKQITZKD-JTQLQIEISA-N 1 2 224.329 1.493 20 0 BDADLO Cc1nc(C[N@@H+]2CC=C[C@@H]2CO)oc1C ZINC000880487719 591063654 /nfs/dbraw/zinc/06/36/54/591063654.db2.gz ZGYUKWRRNBSDJD-SNVBAGLBSA-N 1 2 208.261 1.024 20 0 BDADLO Cc1nc(C[N@H+]2CC=C[C@@H]2CO)oc1C ZINC000880487719 591063662 /nfs/dbraw/zinc/06/36/62/591063662.db2.gz ZGYUKWRRNBSDJD-SNVBAGLBSA-N 1 2 208.261 1.024 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CC=C[C@@H]2CO)c(C)[nH]1 ZINC000880491273 591069047 /nfs/dbraw/zinc/06/90/47/591069047.db2.gz WGCWAUPHYMAQOU-LLVKDONJSA-N 1 2 234.299 1.047 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CC=C[C@@H]2CO)c(C)[nH]1 ZINC000880491273 591069051 /nfs/dbraw/zinc/06/90/51/591069051.db2.gz WGCWAUPHYMAQOU-LLVKDONJSA-N 1 2 234.299 1.047 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880592045 591103382 /nfs/dbraw/zinc/10/33/82/591103382.db2.gz PLPAGQPVNLBYPL-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO Cc1conc1C[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880592045 591103385 /nfs/dbraw/zinc/10/33/85/591103385.db2.gz PLPAGQPVNLBYPL-NSHDSACASA-N 1 2 239.319 1.315 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCc2ncncc2C1 ZINC000880599185 591108461 /nfs/dbraw/zinc/10/84/61/591108461.db2.gz IBIPEJAFUPRYHX-UHFFFAOYSA-N 1 2 233.315 1.594 20 0 BDADLO CCC(=O)CCC[N@H+]1CCc2ncncc2C1 ZINC000880599185 591108463 /nfs/dbraw/zinc/10/84/63/591108463.db2.gz IBIPEJAFUPRYHX-UHFFFAOYSA-N 1 2 233.315 1.594 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000880656264 591120168 /nfs/dbraw/zinc/12/01/68/591120168.db2.gz GBFIEZBLTJRNEZ-JQWIXIFHSA-N 1 2 233.315 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000880656264 591120171 /nfs/dbraw/zinc/12/01/71/591120171.db2.gz GBFIEZBLTJRNEZ-JQWIXIFHSA-N 1 2 233.315 1.804 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(C2(O)CCC2)nn1 ZINC000881298723 591182771 /nfs/dbraw/zinc/18/27/71/591182771.db2.gz MEXQBRGKMXUEFE-UHFFFAOYSA-N 1 2 244.298 1.401 20 0 BDADLO Cc1cc[nH+]cc1Cn1cc([C@H](O)C2CC2)nn1 ZINC000881312318 591187012 /nfs/dbraw/zinc/18/70/12/591187012.db2.gz JCENQSXRSVNJLE-CYBMUJFWSA-N 1 2 244.298 1.473 20 0 BDADLO C[C@@H]1CCN1C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000881481112 591211242 /nfs/dbraw/zinc/21/12/42/591211242.db2.gz HZALTHXDEVZASI-SECBINFHSA-N 1 2 247.273 1.637 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC[C@@H]1C=CCC1 ZINC000881494125 591217218 /nfs/dbraw/zinc/21/72/18/591217218.db2.gz DDIWXTMAFTUHBZ-GFCCVEGCSA-N 1 2 233.315 1.746 20 0 BDADLO O=C(NC[C@@H]1C=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000881495555 591218779 /nfs/dbraw/zinc/21/87/79/591218779.db2.gz LPBUHKHTXINQCC-VXGBXAGGSA-N 1 2 245.326 1.528 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C=CCC1 ZINC000881499134 591222054 /nfs/dbraw/zinc/22/20/54/591222054.db2.gz QYQWTXCMSHLGHV-GHMZBOCLSA-N 1 2 233.315 1.671 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C=CCC1 ZINC000881499134 591222057 /nfs/dbraw/zinc/22/20/57/591222057.db2.gz QYQWTXCMSHLGHV-GHMZBOCLSA-N 1 2 233.315 1.671 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1(CC2CC2)CC1 ZINC000881517543 591226110 /nfs/dbraw/zinc/22/61/10/591226110.db2.gz AKLYPWJAMYGSPI-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C)CC(F)(F)C2)c[nH+]1 ZINC000881524400 591228637 /nfs/dbraw/zinc/22/86/37/591228637.db2.gz ZKEQZDLWWSNXLK-UHFFFAOYSA-N 1 2 243.257 1.883 20 0 BDADLO CC1(C)C[C@]1(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000881544274 591236795 /nfs/dbraw/zinc/23/67/95/591236795.db2.gz WVKPFLDTRMMIOM-CYBMUJFWSA-N 1 2 235.331 1.895 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000881571243 591244964 /nfs/dbraw/zinc/24/49/64/591244964.db2.gz XQQVDYCPHCVBFZ-ZWNMCFTASA-N 1 2 233.315 1.837 20 0 BDADLO C=C/C=C/CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000881571243 591244966 /nfs/dbraw/zinc/24/49/66/591244966.db2.gz XQQVDYCPHCVBFZ-ZWNMCFTASA-N 1 2 233.315 1.837 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@H](CF)C1 ZINC000881671718 591263285 /nfs/dbraw/zinc/26/32/85/591263285.db2.gz LLIBUVXZXXCCAW-SNVBAGLBSA-N 1 2 247.273 1.766 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC[C@@H](CF)C1 ZINC000881671717 591263470 /nfs/dbraw/zinc/26/34/70/591263470.db2.gz LLIBUVXZXXCCAW-JTQLQIEISA-N 1 2 247.273 1.766 20 0 BDADLO CCOC(=O)c1cc(-n2cc[nH+]c2)nc(C)n1 ZINC000881771376 591270322 /nfs/dbraw/zinc/27/03/22/591270322.db2.gz GWWKCNDFKVNKBC-UHFFFAOYSA-N 1 2 232.243 1.147 20 0 BDADLO Cc1[nH+]cnc(NCCC(=O)NC(C)C)c1C ZINC000881788548 591271152 /nfs/dbraw/zinc/27/11/52/591271152.db2.gz ANGKIVXBRAXXIL-UHFFFAOYSA-N 1 2 236.319 1.420 20 0 BDADLO Cc1[nH+]cnc(NCc2nnc3n2CCC3)c1C ZINC000881783759 591271256 /nfs/dbraw/zinc/27/12/56/591271256.db2.gz BQMHLMPKKSHZHL-UHFFFAOYSA-N 1 2 244.302 1.243 20 0 BDADLO Cc1[nH+]cnc(N2CCC3(CC2)OCCO3)c1C ZINC000881791526 591271636 /nfs/dbraw/zinc/27/16/36/591271636.db2.gz LIJKLQMSKTVNGP-UHFFFAOYSA-N 1 2 249.314 1.437 20 0 BDADLO CCCNc1cc(N2CCC[C@@H](O)C2)nc[nH+]1 ZINC000129255122 591273315 /nfs/dbraw/zinc/27/33/15/591273315.db2.gz CRIKZAANZDBYTF-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO CCCNc1cc(N2CCC[C@@H](O)C2)[nH+]cn1 ZINC000129255122 591273317 /nfs/dbraw/zinc/27/33/17/591273317.db2.gz CRIKZAANZDBYTF-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO Cc1[nH+]cnc(NCc2cnn(C)c2)c1C ZINC000881837278 591273719 /nfs/dbraw/zinc/27/37/19/591273719.db2.gz DLUOTXNFLSQGGH-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO CC[C@@](C)(O)CNc1nc[nH+]c(C)c1C ZINC000881896597 591277041 /nfs/dbraw/zinc/27/70/41/591277041.db2.gz SBIHLTBKRMYKSM-LLVKDONJSA-N 1 2 209.293 1.666 20 0 BDADLO Cc1[nH+]cnc(NCCOCC2CC2)c1C ZINC000881958575 591284106 /nfs/dbraw/zinc/28/41/06/591284106.db2.gz PQFGFWVLZYIIBU-UHFFFAOYSA-N 1 2 221.304 1.932 20 0 BDADLO Cc1[nH+]cnc(NCCOc2cccnc2)c1C ZINC000881983904 591285316 /nfs/dbraw/zinc/28/53/16/591285316.db2.gz FUWHPLFZBNMXHB-UHFFFAOYSA-N 1 2 244.298 1.979 20 0 BDADLO Cc1cnc(CNc2cc(CO)cc[nH+]2)o1 ZINC000882040242 591290804 /nfs/dbraw/zinc/29/08/04/591290804.db2.gz YZHNJAZNPIXBEY-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO CC[C@H](O)CCNc1nc[nH+]c(C)c1C ZINC000882098930 591298238 /nfs/dbraw/zinc/29/82/38/591298238.db2.gz PFMGGSJQZXQTHS-JTQLQIEISA-N 1 2 209.293 1.666 20 0 BDADLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc[nH+]c(C)c1C ZINC000882145187 591305271 /nfs/dbraw/zinc/30/52/71/591305271.db2.gz KYFYIWRBZBTLQW-MNOVXSKESA-N 1 2 248.330 1.420 20 0 BDADLO CNC(=O)[C@H]1CCC[C@@H]1Nc1nc[nH+]c(C)c1C ZINC000882145189 591305516 /nfs/dbraw/zinc/30/55/16/591305516.db2.gz KYFYIWRBZBTLQW-QWRGUYRKSA-N 1 2 248.330 1.420 20 0 BDADLO CO[C@@]1(CNc2nc[nH+]c(C)c2C)CCOC1 ZINC000882191746 591314323 /nfs/dbraw/zinc/31/43/23/591314323.db2.gz RMAXUJSBBLJPBS-GFCCVEGCSA-N 1 2 237.303 1.311 20 0 BDADLO Cc1[nH+]cnc(N[C@H]2C[C@H](O)C2(C)C)c1C ZINC000882210441 591316551 /nfs/dbraw/zinc/31/65/51/591316551.db2.gz KRGAFQIOHZWNPL-UWVGGRQHSA-N 1 2 221.304 1.665 20 0 BDADLO OC[C@]12C[C@H]1CN(c1cc[nH+]cc1F)C2 ZINC000882239444 591320107 /nfs/dbraw/zinc/32/01/07/591320107.db2.gz WLYYUGLCZLNSIK-GZMMTYOYSA-N 1 2 208.236 1.039 20 0 BDADLO Cc1[nH+]cnc(NCCOCC(F)F)c1C ZINC000882241960 591320492 /nfs/dbraw/zinc/32/04/92/591320492.db2.gz LYIQEDBFSIJWJW-UHFFFAOYSA-N 1 2 231.246 1.787 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2CC[C@@H](O)C2)c1C ZINC000882243644 591320750 /nfs/dbraw/zinc/32/07/50/591320750.db2.gz AZIKJVQVEXSDIR-GHMZBOCLSA-N 1 2 221.304 1.666 20 0 BDADLO Cc1ncnc(N[C@H]2CCn3cc[nH+]c32)c1C ZINC000882407515 591343676 /nfs/dbraw/zinc/34/36/76/591343676.db2.gz UFDPWMSZPJDINA-JTQLQIEISA-N 1 2 229.287 1.847 20 0 BDADLO Cc1[nH+]cnc(NCc2ccc(=O)[nH]n2)c1C ZINC000882407306 591344228 /nfs/dbraw/zinc/34/42/28/591344228.db2.gz LXFSMUDQSBPROP-UHFFFAOYSA-N 1 2 231.259 1.201 20 0 BDADLO CCn1nc(C)c(CNc2nc[nH+]c(C)c2C)n1 ZINC000882479779 591357677 /nfs/dbraw/zinc/35/76/77/591357677.db2.gz FTYMLGLKQIPMBS-UHFFFAOYSA-N 1 2 246.318 1.625 20 0 BDADLO Cc1ccnc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000882626795 591402905 /nfs/dbraw/zinc/40/29/05/591402905.db2.gz UVORLOJMCOWZOB-UHFFFAOYSA-N 1 2 217.276 1.855 20 0 BDADLO Cc1[nH+]cnc(NCC[C@H](O)C(F)F)c1C ZINC000882680016 591405656 /nfs/dbraw/zinc/40/56/56/591405656.db2.gz JBUHZRLDJZEFRO-QMMMGPOBSA-N 1 2 231.246 1.521 20 0 BDADLO Cc1[nH+]cnc(NCCC[C@@H]2CCOC2=O)c1C ZINC000882715985 591419334 /nfs/dbraw/zinc/41/93/34/591419334.db2.gz XHDZBZOFOHVQSN-LLVKDONJSA-N 1 2 249.314 1.849 20 0 BDADLO FC[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000882838990 591449782 /nfs/dbraw/zinc/44/97/82/591449782.db2.gz CZPXGTBECWKFPE-SECBINFHSA-N 1 2 236.294 1.847 20 0 BDADLO FC[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000882838990 591449784 /nfs/dbraw/zinc/44/97/84/591449784.db2.gz CZPXGTBECWKFPE-SECBINFHSA-N 1 2 236.294 1.847 20 0 BDADLO C[C@@H](O)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)[nH+]c1 ZINC000213308231 591460329 /nfs/dbraw/zinc/46/03/29/591460329.db2.gz BSAUSSVXJSFDRV-JLLWLGSASA-N 1 2 234.299 1.503 20 0 BDADLO CO[C@@H]1COCC[C@@H]1N(C)c1cc(C)[nH+]cn1 ZINC000882937697 591478803 /nfs/dbraw/zinc/47/88/03/591478803.db2.gz SQIXRUYDGCSMMA-WDEREUQCSA-N 1 2 237.303 1.025 20 0 BDADLO CO[C@H]1COCC[C@H]1N(C)c1cc(C)[nH+]cn1 ZINC000882937695 591478831 /nfs/dbraw/zinc/47/88/31/591478831.db2.gz SQIXRUYDGCSMMA-MNOVXSKESA-N 1 2 237.303 1.025 20 0 BDADLO CO[C@H]1COCC[C@@H]1N(C)c1cccc[nH+]1 ZINC000882941059 591479486 /nfs/dbraw/zinc/47/94/86/591479486.db2.gz HQPJNCFQYORSJX-QWRGUYRKSA-N 1 2 222.288 1.322 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCCOC(F)(F)F ZINC000882981657 591491472 /nfs/dbraw/zinc/49/14/72/591491472.db2.gz PVXWBTVPQVXTCF-ZCFIWIBFSA-N 1 2 244.213 1.446 20 0 BDADLO C=C/C=C/CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000882990625 591498386 /nfs/dbraw/zinc/49/83/86/591498386.db2.gz SQVBOIGNBVHRHS-FSIBCCDJSA-N 1 2 210.277 1.796 20 0 BDADLO NC(CO)=[NH+]OCc1ccccc1C(F)(F)F ZINC000883009981 591510540 /nfs/dbraw/zinc/51/05/40/591510540.db2.gz ATVIKPMYFRWWKN-UHFFFAOYSA-N 1 2 248.204 1.696 20 0 BDADLO Cc1cccc(C)c1CO[NH+]=C(N)CO ZINC000883011099 591511333 /nfs/dbraw/zinc/51/13/33/591511333.db2.gz JYOQNYQOGOAMRF-UHFFFAOYSA-N 1 2 208.261 1.294 20 0 BDADLO C=C/C=C/CCNC(=O)NCCn1cc[nH+]c1 ZINC000883068553 591534188 /nfs/dbraw/zinc/53/41/88/591534188.db2.gz YZKHIXTUKBEWET-ONEGZZNKSA-N 1 2 234.303 1.315 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC(F)CC1 ZINC000883068305 591534297 /nfs/dbraw/zinc/53/42/97/591534297.db2.gz PAFHNOJNHPLEIX-UHFFFAOYSA-N 1 2 240.282 1.027 20 0 BDADLO O[C@H]1C[C@]([NH2+]Cc2cocn2)(c2ccccc2)C1 ZINC000883234112 591581497 /nfs/dbraw/zinc/58/14/97/591581497.db2.gz WZPUKHWFQGHVQH-OKILXGFUSA-N 1 2 244.294 1.814 20 0 BDADLO C=C/C=C\CCNC(=O)NCc1[nH+]ccn1C ZINC000883322555 591616432 /nfs/dbraw/zinc/61/64/32/591616432.db2.gz KOQMQBFQQZVAES-PLNGDYQASA-N 1 2 234.303 1.352 20 0 BDADLO Cc1cc(N[C@H](C)Cn2cncn2)c[nH+]c1C ZINC000883343071 591623348 /nfs/dbraw/zinc/62/33/48/591623348.db2.gz YZUWIXVPMUCIRK-SNVBAGLBSA-N 1 2 231.303 1.791 20 0 BDADLO CCn1cc[nH+]c1CNc1nn(C)cc1Cl ZINC000883372655 591634384 /nfs/dbraw/zinc/63/43/84/591634384.db2.gz IWPKFBYRCIORLG-UHFFFAOYSA-N 1 2 239.710 1.902 20 0 BDADLO C[C@H]([NH2+]Cc1cnc2c(cnn2C)c1)C(F)F ZINC000883408454 591651037 /nfs/dbraw/zinc/65/10/37/591651037.db2.gz XLKZKTOAYCDSRO-ZETCQYMHSA-N 1 2 240.257 1.712 20 0 BDADLO CCOC(=O)c1cnn(C[NH+]2CCCCC2)c1 ZINC000132334643 591702249 /nfs/dbraw/zinc/70/22/49/591702249.db2.gz UNZZHZXPBQVQPZ-UHFFFAOYSA-N 1 2 237.303 1.503 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC(F)CC1 ZINC000883652139 591710027 /nfs/dbraw/zinc/71/00/27/591710027.db2.gz CWUJRJVWKKIRDK-UHFFFAOYSA-N 1 2 240.282 1.064 20 0 BDADLO COC(C)(C)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000133063811 591761188 /nfs/dbraw/zinc/76/11/88/591761188.db2.gz IXNGVITWBYDSIZ-VIFPVBQESA-N 1 2 231.336 1.731 20 0 BDADLO C[C@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000133116736 591766988 /nfs/dbraw/zinc/76/69/88/591766988.db2.gz VDBRCORXSVCCNV-BDAKNGLRSA-N 1 2 217.309 1.077 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnn(C2CCC2)c1 ZINC000889054303 591776379 /nfs/dbraw/zinc/77/63/79/591776379.db2.gz PIRGLJOSKBLZAB-UHFFFAOYSA-N 1 2 245.286 1.443 20 0 BDADLO CCn1cc(C[N@H+](CC)Cc2ccoc2)nn1 ZINC000883999754 591789292 /nfs/dbraw/zinc/78/92/92/591789292.db2.gz RSQZYVFSIFYJQC-UHFFFAOYSA-N 1 2 234.303 1.913 20 0 BDADLO CCn1cc(C[N@@H+](CC)Cc2ccoc2)nn1 ZINC000883999754 591789297 /nfs/dbraw/zinc/78/92/97/591789297.db2.gz RSQZYVFSIFYJQC-UHFFFAOYSA-N 1 2 234.303 1.913 20 0 BDADLO CCC/C=C/C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800138864 591827294 /nfs/dbraw/zinc/82/72/94/591827294.db2.gz YRUDAAAIIRPPCL-BTDICHCPSA-N 1 2 241.331 1.607 20 0 BDADLO CCC/C=C/C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800138864 591827296 /nfs/dbraw/zinc/82/72/96/591827296.db2.gz YRUDAAAIIRPPCL-BTDICHCPSA-N 1 2 241.331 1.607 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)C(C)(C)C)CCO1 ZINC000800138137 591827569 /nfs/dbraw/zinc/82/75/69/591827569.db2.gz CQZLDVLFTIJOKC-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)C(C)(C)C)CCO1 ZINC000800138137 591827572 /nfs/dbraw/zinc/82/75/72/591827572.db2.gz CQZLDVLFTIJOKC-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO C[C@@H]1C[N@H+](CCOC(=O)C2CC=CC2)CCO1 ZINC000800175294 591831658 /nfs/dbraw/zinc/83/16/58/591831658.db2.gz ZTXRMIQFWLCALP-LLVKDONJSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H]1C[N@@H+](CCOC(=O)C2CC=CC2)CCO1 ZINC000800175294 591831659 /nfs/dbraw/zinc/83/16/59/591831659.db2.gz ZTXRMIQFWLCALP-LLVKDONJSA-N 1 2 239.315 1.217 20 0 BDADLO CC[C@H](C)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800212039 591841226 /nfs/dbraw/zinc/84/12/26/591841226.db2.gz AOQCKMOQZPNYSM-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H](C)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800212039 591841227 /nfs/dbraw/zinc/84/12/27/591841227.db2.gz AOQCKMOQZPNYSM-RYUDHWBXSA-N 1 2 243.347 1.687 20 0 BDADLO CCC[C@H]1CCC[N@H+](Cn2ncn(C)c2=O)C1 ZINC000133653267 591844923 /nfs/dbraw/zinc/84/49/23/591844923.db2.gz GUUBVFNKMNIXCJ-NSHDSACASA-N 1 2 238.335 1.051 20 0 BDADLO CCC[C@H]1CCC[N@@H+](Cn2ncn(C)c2=O)C1 ZINC000133653267 591844933 /nfs/dbraw/zinc/84/49/33/591844933.db2.gz GUUBVFNKMNIXCJ-NSHDSACASA-N 1 2 238.335 1.051 20 0 BDADLO Cc1nnc(C[NH2+]Cc2cccc(O)c2)s1 ZINC000134665489 591945844 /nfs/dbraw/zinc/94/58/44/591945844.db2.gz DKHTZYCBMSLTCU-UHFFFAOYSA-N 1 2 235.312 1.842 20 0 BDADLO CCc1nc(NCCC2CC(O)C2)cc[nH+]1 ZINC000884487629 591955172 /nfs/dbraw/zinc/95/51/72/591955172.db2.gz ZRFXMCUOAORSQI-UHFFFAOYSA-N 1 2 221.304 1.612 20 0 BDADLO CCc1nc(N[C@H]2[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000884494352 591956378 /nfs/dbraw/zinc/95/63/78/591956378.db2.gz QWKHBPQYQSSSEX-VROVMSAKSA-N 1 2 205.261 1.096 20 0 BDADLO CCc1nc(NCCC2(O)CCC2)cc[nH+]1 ZINC000884501119 591959277 /nfs/dbraw/zinc/95/92/77/591959277.db2.gz ZNPAXZHOXLSOPH-UHFFFAOYSA-N 1 2 221.304 1.756 20 0 BDADLO CCc1nc(N2CC[C@H](n3cccn3)C2)cc[nH+]1 ZINC000884512433 591961625 /nfs/dbraw/zinc/96/16/25/591961625.db2.gz GZIJDGWLLYBQLF-NSHDSACASA-N 1 2 243.314 1.687 20 0 BDADLO CCc1nc(NC[C@H](OC)C2CC2)cc[nH+]1 ZINC000884516450 591963019 /nfs/dbraw/zinc/96/30/19/591963019.db2.gz LAAQMFGWGQDUAG-JTQLQIEISA-N 1 2 221.304 1.876 20 0 BDADLO CCc1nc(N2CC[C@@H]2C(F)F)cc[nH+]1 ZINC000884517898 591964120 /nfs/dbraw/zinc/96/41/20/591964120.db2.gz YQUJPMWNRUHTMQ-SSDOTTSWSA-N 1 2 213.231 1.883 20 0 BDADLO CCc1nc(N[C@H](CC)[C@@H](C)O)cc[nH+]1 ZINC000884522218 591964642 /nfs/dbraw/zinc/96/46/42/591964642.db2.gz RVHCRNLOTQRBDU-RKDXNWHRSA-N 1 2 209.293 1.610 20 0 BDADLO CCc1nc(NCC2(CC(N)=O)CC2)cc[nH+]1 ZINC000884533745 591969776 /nfs/dbraw/zinc/96/97/76/591969776.db2.gz PVYJFVNIWQSBAE-UHFFFAOYSA-N 1 2 234.303 1.107 20 0 BDADLO CCc1nc(NCc2ncc(C)cn2)cc[nH+]1 ZINC000884532922 591969938 /nfs/dbraw/zinc/96/99/38/591969938.db2.gz USNSRURDFOHEHR-UHFFFAOYSA-N 1 2 229.287 1.750 20 0 BDADLO CCc1nc(NCC[C@H](COC)OC)cc[nH+]1 ZINC000884552021 591976635 /nfs/dbraw/zinc/97/66/35/591976635.db2.gz OYCAENCLENTTLQ-SNVBAGLBSA-N 1 2 239.319 1.502 20 0 BDADLO CCc1nc(N[C@H]2C[C@@H](O)C23CCC3)cc[nH+]1 ZINC000884557817 591978672 /nfs/dbraw/zinc/97/86/72/591978672.db2.gz AIXZOXQRDZJKDY-VHSXEESVSA-N 1 2 233.315 1.754 20 0 BDADLO CCc1nc(N[C@@H]2CCCC23OCCO3)cc[nH+]1 ZINC000884558672 591979458 /nfs/dbraw/zinc/97/94/58/591979458.db2.gz AYVWOVATEGSCEO-SNVBAGLBSA-N 1 2 249.314 1.747 20 0 BDADLO CCc1nc(NCc2cnnn2CC)cc[nH+]1 ZINC000884563071 591980937 /nfs/dbraw/zinc/98/09/37/591980937.db2.gz VCFOTEWCLKZGPC-UHFFFAOYSA-N 1 2 232.291 1.263 20 0 BDADLO CCc1nc(NCc2cnn(CC)n2)cc[nH+]1 ZINC000884562925 591981606 /nfs/dbraw/zinc/98/16/06/591981606.db2.gz OPEOSFHWUCUQGM-UHFFFAOYSA-N 1 2 232.291 1.263 20 0 BDADLO CCc1nc(NC[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000884566310 591983275 /nfs/dbraw/zinc/98/32/75/591983275.db2.gz HFKPKCXFIDJQOG-DTORHVGOSA-N 1 2 207.277 1.222 20 0 BDADLO CCc1nc(N2CCc3ncncc3C2)cc[nH+]1 ZINC000884583889 591987411 /nfs/dbraw/zinc/98/74/11/591987411.db2.gz PYKSWLXUHWQMSH-UHFFFAOYSA-N 1 2 241.298 1.392 20 0 BDADLO c1cc(N2C[C@@H]3C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000884588698 591988674 /nfs/dbraw/zinc/98/86/74/591988674.db2.gz LPFCRCBOINDFLN-AOOOYVTPSA-N 1 2 201.273 1.810 20 0 BDADLO Cc1nc(N2C[C@@H]3C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000884589105 591989229 /nfs/dbraw/zinc/98/92/29/591989229.db2.gz SYSGSTAEFUQRBN-PHIMTYICSA-N 1 2 203.289 1.858 20 0 BDADLO Cc1nc(N2C[C@@H]3CSC[C@@H]3C2)cc[nH+]1 ZINC000884645430 592001715 /nfs/dbraw/zinc/00/17/15/592001715.db2.gz GFWWGENJFDKPKX-AOOOYVTPSA-N 1 2 221.329 1.584 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H]3CSC[C@@H]3C2)c1C ZINC000884644742 592001931 /nfs/dbraw/zinc/00/19/31/592001931.db2.gz ZZBKEYLAJMXBEH-PHIMTYICSA-N 1 2 235.356 1.893 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884751031 592017063 /nfs/dbraw/zinc/01/70/63/592017063.db2.gz INMUZSQJPVBNNM-CHWSQXEVSA-N 1 2 248.326 1.579 20 0 BDADLO CN(CCCF)c1cc(-n2cc[nH+]c2)ncn1 ZINC000884856529 592025231 /nfs/dbraw/zinc/02/52/31/592025231.db2.gz FSROJXIMWFHZKB-UHFFFAOYSA-N 1 2 235.266 1.458 20 0 BDADLO C[C@@H](CC(=O)N1CCCC(=O)[C@H]1C)n1cc[nH+]c1 ZINC000885059640 592042873 /nfs/dbraw/zinc/04/28/73/592042873.db2.gz WXJGQQBMYFLNFC-WDEREUQCSA-N 1 2 249.314 1.414 20 0 BDADLO CCO[C@H]1CCN(C(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000885323657 592066586 /nfs/dbraw/zinc/06/65/86/592066586.db2.gz REXUJFJRNFTXDC-ITKZLYELSA-N 1 2 249.314 1.071 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2ccon2)c1C ZINC000886008022 592129436 /nfs/dbraw/zinc/12/94/36/592129436.db2.gz DTANRTNECXYUGL-UHFFFAOYSA-N 1 2 206.249 1.304 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@@](C)(O)C(F)F ZINC000886031014 592136459 /nfs/dbraw/zinc/13/64/59/592136459.db2.gz ZRZPSDKJYUPMQU-SECBINFHSA-N 1 2 236.287 1.591 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@@](C)(O)C(F)F ZINC000886031014 592136461 /nfs/dbraw/zinc/13/64/61/592136461.db2.gz ZRZPSDKJYUPMQU-SECBINFHSA-N 1 2 236.287 1.591 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886091870 592146033 /nfs/dbraw/zinc/14/60/33/592146033.db2.gz IMLDKWIJRFMWJF-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886091870 592146035 /nfs/dbraw/zinc/14/60/35/592146035.db2.gz IMLDKWIJRFMWJF-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO CCc1nc(C[NH2+]Cc2[nH]nc(C)c2C)co1 ZINC000886136567 592160761 /nfs/dbraw/zinc/16/07/61/592160761.db2.gz QLBFGXOLLCSIPA-UHFFFAOYSA-N 1 2 234.303 1.867 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886181486 592170634 /nfs/dbraw/zinc/17/06/34/592170634.db2.gz MTWJNCLNSABCMF-YUSALJHKSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886181486 592170637 /nfs/dbraw/zinc/17/06/37/592170637.db2.gz MTWJNCLNSABCMF-YUSALJHKSA-N 1 2 241.331 1.437 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)CC1(F)F ZINC000886277570 592196275 /nfs/dbraw/zinc/19/62/75/592196275.db2.gz VPDSAUYZBIPXFD-GMTAPVOTSA-N 1 2 247.285 1.115 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)CC1(F)F ZINC000886277570 592196276 /nfs/dbraw/zinc/19/62/76/592196276.db2.gz VPDSAUYZBIPXFD-GMTAPVOTSA-N 1 2 247.285 1.115 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000886278560 592197605 /nfs/dbraw/zinc/19/76/05/592197605.db2.gz CQNUQVFAVUTWLO-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000886278560 592197606 /nfs/dbraw/zinc/19/76/06/592197606.db2.gz CQNUQVFAVUTWLO-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000886278560 592197608 /nfs/dbraw/zinc/19/76/08/592197608.db2.gz CQNUQVFAVUTWLO-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000886278560 592197610 /nfs/dbraw/zinc/19/76/10/592197610.db2.gz CQNUQVFAVUTWLO-LLVKDONJSA-N 1 2 235.331 1.862 20 0 BDADLO CO[C@H]1C[N@H+](CCOC2CCCCC2)CCO1 ZINC000886284211 592200149 /nfs/dbraw/zinc/20/01/49/592200149.db2.gz QIWHOXORFFSLJR-CYBMUJFWSA-N 1 2 243.347 1.640 20 0 BDADLO CO[C@H]1C[N@@H+](CCOC2CCCCC2)CCO1 ZINC000886284211 592200151 /nfs/dbraw/zinc/20/01/51/592200151.db2.gz QIWHOXORFFSLJR-CYBMUJFWSA-N 1 2 243.347 1.640 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC000886299396 592202805 /nfs/dbraw/zinc/20/28/05/592202805.db2.gz XXZBVHPBHFYQSB-LURJTMIESA-N 1 2 242.266 1.189 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1CCSC(F)(F)F ZINC000886299396 592202807 /nfs/dbraw/zinc/20/28/07/592202807.db2.gz XXZBVHPBHFYQSB-LURJTMIESA-N 1 2 242.266 1.189 20 0 BDADLO CSCc1n[nH]c(C[NH2+]Cc2ccccc2)n1 ZINC000886328925 592210295 /nfs/dbraw/zinc/21/02/95/592210295.db2.gz UUXNUGQRMFHQMA-UHFFFAOYSA-N 1 2 248.355 1.958 20 0 BDADLO CSCc1nnc(C[NH2+]Cc2ccccc2)[nH]1 ZINC000886328925 592210298 /nfs/dbraw/zinc/21/02/98/592210298.db2.gz UUXNUGQRMFHQMA-UHFFFAOYSA-N 1 2 248.355 1.958 20 0 BDADLO FC(F)c1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886348996 592214559 /nfs/dbraw/zinc/21/45/59/592214559.db2.gz WVILJZFRFANZIX-OLQVQODUSA-N 1 2 215.203 1.459 20 0 BDADLO FC(F)c1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886348996 592214555 /nfs/dbraw/zinc/21/45/55/592214555.db2.gz WVILJZFRFANZIX-OLQVQODUSA-N 1 2 215.203 1.459 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ncco1)C(=O)NC(C)(C)C ZINC000886528440 592247944 /nfs/dbraw/zinc/24/79/44/592247944.db2.gz MBYDCSUZQFCRHH-RKDXNWHRSA-N 1 2 239.319 1.628 20 0 BDADLO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ncco1 ZINC000886538708 592250714 /nfs/dbraw/zinc/25/07/14/592250714.db2.gz MLRSLYHPEAAWQP-NXEZZACHSA-N 1 2 209.293 1.419 20 0 BDADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ncco1 ZINC000886538251 592252512 /nfs/dbraw/zinc/25/25/12/592252512.db2.gz FESJEXFQLOOXNO-WDSKDSINSA-N 1 2 224.182 1.248 20 0 BDADLO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ncco1 ZINC000886540948 592253329 /nfs/dbraw/zinc/25/33/29/592253329.db2.gz NGWCUQVURZPJPD-KOLCDFICSA-N 1 2 249.314 1.479 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)c1ccoc1)C2 ZINC000886627760 592280529 /nfs/dbraw/zinc/28/05/29/592280529.db2.gz SWRHVQQSRSPDNC-UHFFFAOYSA-N 1 2 245.282 1.695 20 0 BDADLO OC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC000886633364 592284693 /nfs/dbraw/zinc/28/46/93/592284693.db2.gz TWCTWOKRGYLZCO-GHMZBOCLSA-N 1 2 239.344 1.275 20 0 BDADLO OC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC000886633364 592284690 /nfs/dbraw/zinc/28/46/90/592284690.db2.gz TWCTWOKRGYLZCO-GHMZBOCLSA-N 1 2 239.344 1.275 20 0 BDADLO CCOC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCCF ZINC000886962720 592402049 /nfs/dbraw/zinc/40/20/49/592402049.db2.gz CRZFVAXFFNRBKW-GHMZBOCLSA-N 1 2 247.310 1.436 20 0 BDADLO CCOC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]C(C)C ZINC000886959269 592402127 /nfs/dbraw/zinc/40/21/27/592402127.db2.gz NBDWMAARIYZANU-GHMZBOCLSA-N 1 2 229.320 1.485 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000887033172 592426893 /nfs/dbraw/zinc/42/68/93/592426893.db2.gz VUUFBEHXBRWFJK-MISXGVKJSA-N 1 2 245.326 1.504 20 0 BDADLO CCc1cnc(C[NH2+][C@H](C(N)=O)[C@@H](C)CC)o1 ZINC000887059512 592433989 /nfs/dbraw/zinc/43/39/89/592433989.db2.gz YOBLUAMSOQSLIL-KWQFWETISA-N 1 2 239.319 1.227 20 0 BDADLO C[C@H](CO)C[N@H+](CC(F)F)C1CCC1 ZINC000887100735 592441966 /nfs/dbraw/zinc/44/19/66/592441966.db2.gz OGHVAUSAYCMKKT-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@H](CO)C[N@@H+](CC(F)F)C1CCC1 ZINC000887100735 592441968 /nfs/dbraw/zinc/44/19/68/592441968.db2.gz OGHVAUSAYCMKKT-QMMMGPOBSA-N 1 2 207.264 1.734 20 0 BDADLO CSC[C@@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887102608 592442964 /nfs/dbraw/zinc/44/29/64/592442964.db2.gz XDWZCAMCMGSGMU-VIFPVBQESA-N 1 2 239.331 1.830 20 0 BDADLO CSC[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887102608 592442966 /nfs/dbraw/zinc/44/29/66/592442966.db2.gz XDWZCAMCMGSGMU-VIFPVBQESA-N 1 2 239.331 1.830 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)CCCF ZINC000887135969 592451094 /nfs/dbraw/zinc/45/10/94/592451094.db2.gz DJLREYBXMHEQCZ-UHFFFAOYSA-N 1 2 229.303 1.265 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)CCCF ZINC000887135969 592451097 /nfs/dbraw/zinc/45/10/97/592451097.db2.gz DJLREYBXMHEQCZ-UHFFFAOYSA-N 1 2 229.303 1.265 20 0 BDADLO CCc1cnc(NC(=O)C[NH+]2CCCC2)o1 ZINC000887236949 592468903 /nfs/dbraw/zinc/46/89/03/592468903.db2.gz BTWJRNXMLZBGFK-UHFFFAOYSA-N 1 2 223.276 1.271 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889182883 592587707 /nfs/dbraw/zinc/58/77/07/592587707.db2.gz JHMNYPKUZQTTIZ-GARJFASQSA-N 1 2 248.330 1.625 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889604110 592626836 /nfs/dbraw/zinc/62/68/36/592626836.db2.gz UHSSGGKQJIYKPV-ADEWGFFLSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889604110 592626838 /nfs/dbraw/zinc/62/68/38/592626838.db2.gz UHSSGGKQJIYKPV-ADEWGFFLSA-N 1 2 233.315 1.647 20 0 BDADLO CCC[C@H](CC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890099740 592678831 /nfs/dbraw/zinc/67/88/31/592678831.db2.gz IJXRLCWLQHZWJH-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000890100520 592679327 /nfs/dbraw/zinc/67/93/27/592679327.db2.gz XHBWBTMXTAFVSR-GWCFXTLKSA-N 1 2 233.315 1.617 20 0 BDADLO CC[C@H](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890107034 592680959 /nfs/dbraw/zinc/68/09/59/592680959.db2.gz GWSUQKVSLSTGEC-VIFPVBQESA-N 1 2 209.293 1.473 20 0 BDADLO CCc1c(C(=O)NCc2cn(C)c[nH+]2)ccn1C ZINC000890106821 592681081 /nfs/dbraw/zinc/68/10/81/592681081.db2.gz FKGQJAUQPDZNAA-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C[C@@H]2C=CCCC2)c1 ZINC000890107897 592682724 /nfs/dbraw/zinc/68/27/24/592682724.db2.gz QBPVLKXGBGOLRN-LLVKDONJSA-N 1 2 233.315 1.783 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107769 592682920 /nfs/dbraw/zinc/68/29/20/592682920.db2.gz QAVDJSWBGIAXEV-UHFFFAOYSA-N 1 2 246.314 1.802 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2CCSCC2)c1 ZINC000890113691 592683641 /nfs/dbraw/zinc/68/36/41/592683641.db2.gz LTMUIDDRIYQNHD-UHFFFAOYSA-N 1 2 239.344 1.180 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2Cc3ccccc32)c1 ZINC000890113675 592683980 /nfs/dbraw/zinc/68/39/80/592683980.db2.gz LPHBSDAKRDBZPH-ZDUSSCGKSA-N 1 2 241.294 1.376 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CC23CCCC3)c1 ZINC000890110308 592684829 /nfs/dbraw/zinc/68/48/29/592684829.db2.gz MAOWWLIMUMOTHX-NSHDSACASA-N 1 2 233.315 1.617 20 0 BDADLO CCC(=CC(=O)NCc1cn(C)c[nH+]1)CC ZINC000890110635 592684840 /nfs/dbraw/zinc/68/48/40/592684840.db2.gz SDPDMTUKYNKCMC-UHFFFAOYSA-N 1 2 221.304 1.783 20 0 BDADLO CCCc1cc(C(=O)NCc2cn(C)c[nH+]2)[nH]n1 ZINC000890117725 592685242 /nfs/dbraw/zinc/68/52/42/592685242.db2.gz SUMKKNAASDSJHG-UHFFFAOYSA-N 1 2 247.302 1.026 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890237457 592690749 /nfs/dbraw/zinc/69/07/49/592690749.db2.gz NTZBFWJHOLCJEU-JQWIXIFHSA-N 1 2 233.315 1.662 20 0 BDADLO C[C@@H](C[NH2+]C1CCC(C(=O)[O-])CC1)[NH+](C)C ZINC000304579532 598103490 /nfs/dbraw/zinc/10/34/90/598103490.db2.gz JKNILBOPHVRHSN-WHXUTIOJSA-N 1 2 228.336 1.170 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000738836524 602054878 /nfs/dbraw/zinc/05/48/78/602054878.db2.gz YYDNKXKCXKJMSK-NSHDSACASA-N 1 2 243.351 1.059 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCN1C(=O)[O-] ZINC000738836524 602054882 /nfs/dbraw/zinc/05/48/82/602054882.db2.gz YYDNKXKCXKJMSK-NSHDSACASA-N 1 2 243.351 1.059 20 0 BDADLO CSCC[C@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001258215638 991134736 /nfs/dbraw/zinc/13/47/36/991134736.db2.gz QXWHHYWBTLAIFI-VIFPVBQESA-N 1 2 238.347 1.669 20 0 BDADLO CCCCNC(=S)NCCc1cn(C)c[nH+]1 ZINC000313472960 634463268 /nfs/dbraw/zinc/46/32/68/634463268.db2.gz NQEGJDLGKKGWHG-UHFFFAOYSA-N 1 2 240.376 1.227 20 0 BDADLO COCc1nccc(NCc2ccc(N)[nH+]c2)n1 ZINC000893432475 634464482 /nfs/dbraw/zinc/46/44/82/634464482.db2.gz XRRABGUDHWCQPY-UHFFFAOYSA-N 1 2 245.286 1.212 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC001027713552 635125752 /nfs/dbraw/zinc/12/57/52/635125752.db2.gz MYEQXCYQNWZCFG-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1cscn1 ZINC001027713552 635125754 /nfs/dbraw/zinc/12/57/54/635125754.db2.gz MYEQXCYQNWZCFG-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO C[C@@H](Cn1cccn1)[NH2+]CC(F)(F)C(F)F ZINC000237394126 635613857 /nfs/dbraw/zinc/61/38/57/635613857.db2.gz YAHAJBVAVGAYRP-ZETCQYMHSA-N 1 2 239.216 1.762 20 0 BDADLO Cn1c[nH+]c(CCNc2cc(F)ncn2)c1 ZINC000313348287 631227637 /nfs/dbraw/zinc/22/76/37/631227637.db2.gz IOHCIURECHZARN-UHFFFAOYSA-N 1 2 221.239 1.004 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000308357781 631295648 /nfs/dbraw/zinc/29/56/48/631295648.db2.gz BZQLSZDWEIHHOO-GAGJOLBNSA-N 1 2 201.697 1.850 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000308357781 631295650 /nfs/dbraw/zinc/29/56/50/631295650.db2.gz BZQLSZDWEIHHOO-GAGJOLBNSA-N 1 2 201.697 1.850 20 0 BDADLO CCC[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308394507 631311712 /nfs/dbraw/zinc/31/17/12/631311712.db2.gz VGGDVTQTHFPHJA-SECBINFHSA-N 1 2 221.304 1.716 20 0 BDADLO CCc1ncc(C[N@H+](C)Cc2cccc(=O)[nH]2)o1 ZINC000933405932 631371699 /nfs/dbraw/zinc/37/16/99/631371699.db2.gz NSDZYKOCVKSMSH-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO CCc1ncc(C[N@@H+](C)Cc2cccc(=O)[nH]2)o1 ZINC000933405932 631371702 /nfs/dbraw/zinc/37/17/02/631371702.db2.gz NSDZYKOCVKSMSH-UHFFFAOYSA-N 1 2 247.298 1.970 20 0 BDADLO C[N@H+](C/C=C\Cl)C[C@H](O)C(F)(F)F ZINC000308480303 631391129 /nfs/dbraw/zinc/39/11/29/631391129.db2.gz NACANDCOKDJQRX-GFNSNHMOSA-N 1 2 217.618 1.594 20 0 BDADLO C[N@@H+](C/C=C\Cl)C[C@H](O)C(F)(F)F ZINC000308480303 631391133 /nfs/dbraw/zinc/39/11/33/631391133.db2.gz NACANDCOKDJQRX-GFNSNHMOSA-N 1 2 217.618 1.594 20 0 BDADLO CN(C)c1cc(NCCCn2cccn2)nc[nH+]1 ZINC000891743410 631468910 /nfs/dbraw/zinc/46/89/10/631468910.db2.gz PBCDFGDXVAXBQX-UHFFFAOYSA-N 1 2 246.318 1.241 20 0 BDADLO CN(C)c1cc(NCCCn2cccn2)[nH+]cn1 ZINC000891743410 631468908 /nfs/dbraw/zinc/46/89/08/631468908.db2.gz PBCDFGDXVAXBQX-UHFFFAOYSA-N 1 2 246.318 1.241 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000934010288 631586491 /nfs/dbraw/zinc/58/64/91/631586491.db2.gz CEPJMRWFFHBMEO-VIFPVBQESA-N 1 2 227.691 1.612 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000934010288 631586494 /nfs/dbraw/zinc/58/64/94/631586494.db2.gz CEPJMRWFFHBMEO-VIFPVBQESA-N 1 2 227.691 1.612 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000934026763 631603668 /nfs/dbraw/zinc/60/36/68/631603668.db2.gz HKNNZHDJELUUEZ-SECBINFHSA-N 1 2 218.256 1.394 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC000934026763 631603673 /nfs/dbraw/zinc/60/36/73/631603673.db2.gz HKNNZHDJELUUEZ-SECBINFHSA-N 1 2 218.256 1.394 20 0 BDADLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934026236 631604708 /nfs/dbraw/zinc/60/47/08/631604708.db2.gz LKOSLTPNDORNGP-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H]2CO)c1 ZINC000934026236 631604713 /nfs/dbraw/zinc/60/47/13/631604713.db2.gz LKOSLTPNDORNGP-GFCCVEGCSA-N 1 2 248.326 1.309 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000934018841 631616573 /nfs/dbraw/zinc/61/65/73/631616573.db2.gz YUVGPWLZVUXXGO-SSDOTTSWSA-N 1 2 217.721 1.968 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccc(Cl)s1 ZINC000934018841 631616578 /nfs/dbraw/zinc/61/65/78/631616578.db2.gz YUVGPWLZVUXXGO-SSDOTTSWSA-N 1 2 217.721 1.968 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1ccncc1Cl ZINC000934018420 631617328 /nfs/dbraw/zinc/61/73/28/631617328.db2.gz XAUYWWNROSCIIA-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1ccncc1Cl ZINC000934018420 631617332 /nfs/dbraw/zinc/61/73/32/631617332.db2.gz XAUYWWNROSCIIA-SECBINFHSA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000934032088 631631324 /nfs/dbraw/zinc/63/13/24/631631324.db2.gz UFEROKJAXPEZHP-SNVBAGLBSA-N 1 2 234.255 1.501 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000934032088 631631325 /nfs/dbraw/zinc/63/13/25/631631325.db2.gz UFEROKJAXPEZHP-SNVBAGLBSA-N 1 2 234.255 1.501 20 0 BDADLO Cc1csc(C[NH2+][C@@H](C)C(=O)NCCF)n1 ZINC000282827328 635672102 /nfs/dbraw/zinc/67/21/02/635672102.db2.gz YZHIYFUPBKOICM-QMMMGPOBSA-N 1 2 245.323 1.015 20 0 BDADLO Cc1[nH+]ccn1CCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000924873368 635683270 /nfs/dbraw/zinc/68/32/70/635683270.db2.gz MRMWNJRBHKSTNX-GXSJLCMTSA-N 1 2 246.318 1.079 20 0 BDADLO Cc1nccn1CC[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000924873368 635683274 /nfs/dbraw/zinc/68/32/74/635683274.db2.gz MRMWNJRBHKSTNX-GXSJLCMTSA-N 1 2 246.318 1.079 20 0 BDADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCNC1=O ZINC000924874004 635684194 /nfs/dbraw/zinc/68/41/94/635684194.db2.gz VHEDKVUAUZNJSB-UWVGGRQHSA-N 1 2 249.314 1.229 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000308831398 631677321 /nfs/dbraw/zinc/67/73/21/631677321.db2.gz GHGWTSJXIBSCIH-NXEZZACHSA-N 1 2 231.361 1.527 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@H](CC)CO ZINC000308970630 631774759 /nfs/dbraw/zinc/77/47/59/631774759.db2.gz ZEPCBLXDDPKRIU-NXEZZACHSA-N 1 2 217.309 1.079 20 0 BDADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(C)=O)nc1 ZINC000934341234 631791355 /nfs/dbraw/zinc/79/13/55/631791355.db2.gz JDYGUGZCOHDFIC-ZDUSSCGKSA-N 1 2 234.299 1.816 20 0 BDADLO COc1ccc([C@@H]2CCC[N@H+]2CC(C)=O)nc1 ZINC000934341234 631791360 /nfs/dbraw/zinc/79/13/60/631791360.db2.gz JDYGUGZCOHDFIC-ZDUSSCGKSA-N 1 2 234.299 1.816 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000049369165 631877805 /nfs/dbraw/zinc/87/78/05/631877805.db2.gz BOTSNXJEDDZFOF-SFYZADRCSA-N 1 2 203.307 1.033 20 0 BDADLO O[C@H]1CC[N@H+](CCc2cccc(F)c2)C[C@H]1F ZINC000934562180 631923124 /nfs/dbraw/zinc/92/31/24/631923124.db2.gz YTWAYSAXKDBGST-OLZOCXBDSA-N 1 2 241.281 1.773 20 0 BDADLO O[C@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@H]1F ZINC000934562180 631923131 /nfs/dbraw/zinc/92/31/31/631923131.db2.gz YTWAYSAXKDBGST-OLZOCXBDSA-N 1 2 241.281 1.773 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c(C)n1 ZINC000934572009 631943874 /nfs/dbraw/zinc/94/38/74/631943874.db2.gz HYXGNSOVPFOPJW-STQMWFEESA-N 1 2 238.306 1.603 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c(C)n1 ZINC000934572009 631943878 /nfs/dbraw/zinc/94/38/78/631943878.db2.gz HYXGNSOVPFOPJW-STQMWFEESA-N 1 2 238.306 1.603 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934578007 631949302 /nfs/dbraw/zinc/94/93/02/631949302.db2.gz YREIKNKMBMRKNQ-YUSALJHKSA-N 1 2 224.279 1.547 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934578007 631949306 /nfs/dbraw/zinc/94/93/06/631949306.db2.gz YREIKNKMBMRKNQ-YUSALJHKSA-N 1 2 224.279 1.547 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@](C)(OC)C1CC1 ZINC000309237272 631974960 /nfs/dbraw/zinc/97/49/60/631974960.db2.gz JSDVYQDVBJCKTF-CABZTGNLSA-N 1 2 229.320 1.343 20 0 BDADLO CC1(C)C[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000309250965 631981451 /nfs/dbraw/zinc/98/14/51/631981451.db2.gz DXICALNTNJKQOD-SECBINFHSA-N 1 2 220.272 1.753 20 0 BDADLO Cc1cc(N)nc(SCC(=O)C(F)F)[nH+]1 ZINC000308870944 632033340 /nfs/dbraw/zinc/03/33/40/632033340.db2.gz YVUOJPOMQWBQJQ-UHFFFAOYSA-N 1 2 233.243 1.294 20 0 BDADLO COc1ccncc1C[NH2+][C@@H](C)c1cnnn1C ZINC000926481350 632117108 /nfs/dbraw/zinc/11/71/08/632117108.db2.gz QRGPYFYIPAJOFL-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H](O)C(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935178309 632483392 /nfs/dbraw/zinc/48/33/92/632483392.db2.gz VFCKPAOBIUHTJG-QMMMGPOBSA-N 1 2 247.298 1.452 20 0 BDADLO CCCNc1cc(N(C)[C@@H]2CCOC2)nc[nH+]1 ZINC000162174475 632531378 /nfs/dbraw/zinc/53/13/78/632531378.db2.gz BKRKVRLHYRHKQL-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CCCNc1cc(N(C)[C@@H]2CCOC2)[nH+]cn1 ZINC000162174475 632531401 /nfs/dbraw/zinc/53/14/01/632531401.db2.gz BKRKVRLHYRHKQL-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CO[C@H](C[NH2+]Cc1cocn1)C(F)(F)F ZINC000308937423 632532603 /nfs/dbraw/zinc/53/26/03/632532603.db2.gz LFEJCBOGAPEYJE-SSDOTTSWSA-N 1 2 224.182 1.342 20 0 BDADLO CC1=C(C(=O)NCc2c[nH+]cn2C)CCCO1 ZINC000291123176 632649428 /nfs/dbraw/zinc/64/94/28/632649428.db2.gz DNZUHOOGAGHKGN-UHFFFAOYSA-N 1 2 235.287 1.121 20 0 BDADLO CN(CCn1cccn1)c1nccn2c[nH+]cc12 ZINC000892462379 632732350 /nfs/dbraw/zinc/73/23/50/632732350.db2.gz PMKKNFKLEKAEEJ-UHFFFAOYSA-N 1 2 242.286 1.062 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1CCCC1 ZINC000179518089 632740554 /nfs/dbraw/zinc/74/05/54/632740554.db2.gz MSCGOKMBNMBGLU-LLVKDONJSA-N 1 2 241.331 1.441 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2COC[C@@H]2C)c1 ZINC000926660529 632786489 /nfs/dbraw/zinc/78/64/89/632786489.db2.gz JQLBYGVRNGPCOU-ONGXEEELSA-N 1 2 222.288 1.675 20 0 BDADLO CCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152716651 632806552 /nfs/dbraw/zinc/80/65/52/632806552.db2.gz YZHCOODTVAUJKP-UHFFFAOYSA-N 1 2 207.277 1.805 20 0 BDADLO Cc1cncc(NCc2c[nH+]cn2C)n1 ZINC000309212715 632816688 /nfs/dbraw/zinc/81/66/88/632816688.db2.gz TVKBLVMAIUSWCT-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C)CCC1 ZINC000334664845 635863594 /nfs/dbraw/zinc/86/35/94/635863594.db2.gz AIEGOVCTHPXUAG-UHFFFAOYSA-N 1 2 207.277 1.227 20 0 BDADLO Cc1nnc(CN(C)c2nccn3c[nH+]cc23)o1 ZINC000894528044 635905028 /nfs/dbraw/zinc/90/50/28/635905028.db2.gz DOPMGNIHEQYDSV-UHFFFAOYSA-N 1 2 244.258 1.057 20 0 BDADLO O[C@@H](CNc1cc[nH+]cc1F)c1ccco1 ZINC000309469977 633115866 /nfs/dbraw/zinc/11/58/66/633115866.db2.gz AFRJUCXMZXLQRL-JTQLQIEISA-N 1 2 222.219 1.959 20 0 BDADLO FCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000309601332 633209434 /nfs/dbraw/zinc/20/94/34/633209434.db2.gz WPBZMNGMCKYVSA-UHFFFAOYSA-N 1 2 220.251 1.326 20 0 BDADLO Cc1nc(NC[C@@H](O)c2ccco2)cc[nH+]1 ZINC000309694388 633227647 /nfs/dbraw/zinc/22/76/47/633227647.db2.gz KRHZDPVFADTJNQ-SECBINFHSA-N 1 2 219.244 1.524 20 0 BDADLO Cc1cc(C[NH2+]Cc2c[nH]cn2)cc(C)n1 ZINC000895032043 636015682 /nfs/dbraw/zinc/01/56/82/636015682.db2.gz VYJGQHLNEUODEZ-UHFFFAOYSA-N 1 2 216.288 1.711 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccccn1 ZINC000895117422 636064190 /nfs/dbraw/zinc/06/41/90/636064190.db2.gz SWAYZYSCQDHZNG-AXFHLTTASA-N 1 2 233.315 1.179 20 0 BDADLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccccn1 ZINC000895117422 636064193 /nfs/dbraw/zinc/06/41/93/636064193.db2.gz SWAYZYSCQDHZNG-AXFHLTTASA-N 1 2 233.315 1.179 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889605857 636056418 /nfs/dbraw/zinc/05/64/18/636056418.db2.gz LDKWJIWMQRHADU-JBLDHEPKSA-N 1 2 233.315 1.565 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000049371591 636077591 /nfs/dbraw/zinc/07/75/91/636077591.db2.gz DKIJPUILPKKPIB-SNVBAGLBSA-N 1 2 233.311 1.695 20 0 BDADLO C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)CCO1 ZINC000928544454 636079522 /nfs/dbraw/zinc/07/95/22/636079522.db2.gz QUKHQGKJJFKIOZ-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CN(C)c1cc(NCc2ccc(F)cn2)[nH+]cn1 ZINC000892939375 633745537 /nfs/dbraw/zinc/74/55/37/633745537.db2.gz ZTIVQPDEOPWKSX-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO CN(C)c1cc(NCc2ccc(F)cn2)nc[nH+]1 ZINC000892939375 633745543 /nfs/dbraw/zinc/74/55/43/633745543.db2.gz ZTIVQPDEOPWKSX-UHFFFAOYSA-N 1 2 247.277 1.689 20 0 BDADLO CNc1cc(N[C@H]2CCOC2(C)C)nc[nH+]1 ZINC000328398419 633759792 /nfs/dbraw/zinc/75/97/92/633759792.db2.gz QYTSGQPOSFHZDP-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO CNc1cc(N[C@H]2CCOC2(C)C)[nH+]cn1 ZINC000328398419 633759795 /nfs/dbraw/zinc/75/97/95/633759795.db2.gz QYTSGQPOSFHZDP-QMMMGPOBSA-N 1 2 222.292 1.498 20 0 BDADLO C[C@H](O)[C@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000930489788 633849080 /nfs/dbraw/zinc/84/90/80/633849080.db2.gz MZVSNRYVXPCCHK-QPUJVOFHSA-N 1 2 241.718 1.397 20 0 BDADLO C[C@H](O)[C@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000930489788 633849084 /nfs/dbraw/zinc/84/90/84/633849084.db2.gz MZVSNRYVXPCCHK-QPUJVOFHSA-N 1 2 241.718 1.397 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)CC[C@@H](C)O)c1Cl ZINC000219862558 633869267 /nfs/dbraw/zinc/86/92/67/633869267.db2.gz JEYOMXZGGAQUMD-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)CC[C@@H](C)O)c1Cl ZINC000219862558 633869264 /nfs/dbraw/zinc/86/92/64/633869264.db2.gz JEYOMXZGGAQUMD-MRVPVSSYSA-N 1 2 245.754 1.585 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@H](F)C1 ZINC000930623107 633945751 /nfs/dbraw/zinc/94/57/51/633945751.db2.gz MQXYGTWKGKQOMK-UTLUCORTSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@H](F)C1 ZINC000930623107 633945758 /nfs/dbraw/zinc/94/57/58/633945758.db2.gz MQXYGTWKGKQOMK-UTLUCORTSA-N 1 2 217.284 1.618 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](CCO)C1CC1 ZINC000309951866 633972514 /nfs/dbraw/zinc/97/25/14/633972514.db2.gz GKLHQPQYSMOICO-GHMZBOCLSA-N 1 2 229.320 1.079 20 0 BDADLO CCC[C@@H](C)CCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930735516 634073036 /nfs/dbraw/zinc/07/30/36/634073036.db2.gz QJCUJGMPCBOOLE-SNVBAGLBSA-N 1 2 248.392 1.176 20 0 BDADLO COC(=O)C[N@H+](C)CCc1cccc(F)c1 ZINC000258921116 635226110 /nfs/dbraw/zinc/22/61/10/635226110.db2.gz NRVVHPHBQMAOBM-UHFFFAOYSA-N 1 2 225.263 1.473 20 0 BDADLO COC(=O)C[N@@H+](C)CCc1cccc(F)c1 ZINC000258921116 635226117 /nfs/dbraw/zinc/22/61/17/635226117.db2.gz NRVVHPHBQMAOBM-UHFFFAOYSA-N 1 2 225.263 1.473 20 0 BDADLO CCC(CC)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980731915 635264167 /nfs/dbraw/zinc/26/41/67/635264167.db2.gz GJUPGPZPFBBRBH-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO CCC(CC)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980731915 635264174 /nfs/dbraw/zinc/26/41/74/635264174.db2.gz GJUPGPZPFBBRBH-UHFFFAOYSA-N 1 2 244.354 1.926 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CCOCC2)cc1C ZINC000260789235 635362249 /nfs/dbraw/zinc/36/22/49/635362249.db2.gz KFZFXJJOTGAQIE-UHFFFAOYSA-N 1 2 249.310 1.614 20 0 BDADLO FCC[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000894223709 635757203 /nfs/dbraw/zinc/75/72/03/635757203.db2.gz XBCQVPICDUAVLW-UHFFFAOYSA-N 1 2 234.278 1.386 20 0 BDADLO C[C@H]1[C@@H](CO)CCCN1c1nccn2c[nH+]cc12 ZINC000894224094 635757784 /nfs/dbraw/zinc/75/77/84/635757784.db2.gz VHABYSYACWZIFA-WDEREUQCSA-N 1 2 246.314 1.327 20 0 BDADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)o1 ZINC001029181292 636003742 /nfs/dbraw/zinc/00/37/42/636003742.db2.gz SARKHAYCPVOVSG-TXEJJXNPSA-N 1 2 249.314 1.178 20 0 BDADLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)o1 ZINC001029181292 636003749 /nfs/dbraw/zinc/00/37/49/636003749.db2.gz SARKHAYCPVOVSG-TXEJJXNPSA-N 1 2 249.314 1.178 20 0 BDADLO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)s1 ZINC000928550138 636083370 /nfs/dbraw/zinc/08/33/70/636083370.db2.gz CPGGVVQRPPNBHV-ZETCQYMHSA-N 1 2 228.292 1.321 20 0 BDADLO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)s1 ZINC000928550138 636083374 /nfs/dbraw/zinc/08/33/74/636083374.db2.gz CPGGVVQRPPNBHV-ZETCQYMHSA-N 1 2 228.292 1.321 20 0 BDADLO CCCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C(=O)OC ZINC000191710657 636178826 /nfs/dbraw/zinc/17/88/26/636178826.db2.gz VJFDTGIWCJDJTC-AXFHLTTASA-N 1 2 231.336 1.731 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC(C)(C)/C=C/Cl ZINC000928929279 636525699 /nfs/dbraw/zinc/52/56/99/636525699.db2.gz KXHMSFIMDPJOOO-SNAWJCMRSA-N 1 2 241.722 1.610 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000929108915 636805186 /nfs/dbraw/zinc/80/51/86/636805186.db2.gz GZHWSFDTCOLZFQ-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1onc(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000929108915 636805190 /nfs/dbraw/zinc/80/51/90/636805190.db2.gz GZHWSFDTCOLZFQ-SECBINFHSA-N 1 2 224.304 1.766 20 0 BDADLO CCC(=O)COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923890267 637003244 /nfs/dbraw/zinc/00/32/44/637003244.db2.gz QLIQKUNTOQQVPD-NSHDSACASA-N 1 2 227.304 1.382 20 0 BDADLO CCC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923890267 637003240 /nfs/dbraw/zinc/00/32/40/637003240.db2.gz QLIQKUNTOQQVPD-NSHDSACASA-N 1 2 227.304 1.382 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C)n2)cn1 ZINC000924696079 637003943 /nfs/dbraw/zinc/00/39/43/637003943.db2.gz MOHBOSHTTLSEOB-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CCCCS(=O)(=O)CCc1c[nH+]cn1C ZINC000899500703 637089279 /nfs/dbraw/zinc/08/92/79/637089279.db2.gz BFNYFYCCAKCBAW-UHFFFAOYSA-N 1 2 230.333 1.178 20 0 BDADLO CCCCOC(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000042251692 637099887 /nfs/dbraw/zinc/09/98/87/637099887.db2.gz CDJSWURMGKWEKE-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000042251692 637099893 /nfs/dbraw/zinc/09/98/93/637099893.db2.gz CDJSWURMGKWEKE-NSHDSACASA-N 1 2 229.320 1.441 20 0 BDADLO Cc1cc(CNC(=O)CNc2cccc[nH+]2)on1 ZINC000900384358 637183418 /nfs/dbraw/zinc/18/34/18/637183418.db2.gz FUDRKVLWLBPZPN-UHFFFAOYSA-N 1 2 246.270 1.106 20 0 BDADLO C[C@@H]1CC[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900904787 637199223 /nfs/dbraw/zinc/19/92/23/637199223.db2.gz UFGVIWOABDZEKZ-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000900946594 637207332 /nfs/dbraw/zinc/20/73/32/637207332.db2.gz OQBPUIWJEKUNCJ-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO Cc1[nH]c(CNC(=O)/C=C\[C@@H]2CCOC2)[nH+]c1C ZINC000900999539 637225010 /nfs/dbraw/zinc/22/50/10/637225010.db2.gz HFJYZGGNALNUBL-DLRQAJBASA-N 1 2 249.314 1.235 20 0 BDADLO Cc1[nH]c(CNC(=O)C=C[C@@H]2CCOC2)[nH+]c1C ZINC000900999539 637225016 /nfs/dbraw/zinc/22/50/16/637225016.db2.gz HFJYZGGNALNUBL-DLRQAJBASA-N 1 2 249.314 1.235 20 0 BDADLO CO[C@@H]1C[C@H]1c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904264652 637395306 /nfs/dbraw/zinc/39/53/06/637395306.db2.gz MNBNXPZUGXBGKK-RKDXNWHRSA-N 1 2 246.270 1.525 20 0 BDADLO CC[NH2+]Cc1noc([C@]2(C)C=CCC2)n1 ZINC000904494558 637422769 /nfs/dbraw/zinc/42/27/69/637422769.db2.gz NGUYORFQOVVEPY-LLVKDONJSA-N 1 2 207.277 1.787 20 0 BDADLO O[C@H](C[NH2+][C@@H]1CCCC1(F)F)C1(O)CCCC1 ZINC000905260470 637716318 /nfs/dbraw/zinc/71/63/18/637716318.db2.gz BWWNOMGXUPXNMZ-NXEZZACHSA-N 1 2 249.301 1.430 20 0 BDADLO O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)C1(O)CCC1 ZINC000905263791 637718032 /nfs/dbraw/zinc/71/80/32/637718032.db2.gz WVYPHJQLDYHYSQ-BDAKNGLRSA-N 1 2 235.274 1.040 20 0 BDADLO CCCN1CCC[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905318099 637745262 /nfs/dbraw/zinc/74/52/62/637745262.db2.gz BULUGLCRRGLHGZ-VIFPVBQESA-N 1 2 236.319 1.564 20 0 BDADLO CC(C)C[N@@H+](Cc1ccccn1)CN1CCC1=O ZINC000905746312 637895974 /nfs/dbraw/zinc/89/59/74/637895974.db2.gz UMEPQWDAFPPJBA-UHFFFAOYSA-N 1 2 247.342 1.729 20 0 BDADLO CC(C)C[N@H+](Cc1ccccn1)CN1CCC1=O ZINC000905746312 637895977 /nfs/dbraw/zinc/89/59/77/637895977.db2.gz UMEPQWDAFPPJBA-UHFFFAOYSA-N 1 2 247.342 1.729 20 0 BDADLO CCO[C@H]1C[C@H]([NH2+][C@@H](C(=O)OC)[C@H](C)CC)C1 ZINC000905778622 637908221 /nfs/dbraw/zinc/90/82/21/637908221.db2.gz KPTBRCYFQLONDP-DDHJBXDOSA-N 1 2 243.347 1.731 20 0 BDADLO CC[C@@](O)(C[N@@H+]1CCOC[C@@H]1C)C(F)(F)F ZINC000905905142 637970923 /nfs/dbraw/zinc/97/09/23/637970923.db2.gz OKRYHBAVZLHRIY-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@](O)(C[N@H+]1CCOC[C@@H]1C)C(F)(F)F ZINC000905905142 637970928 /nfs/dbraw/zinc/97/09/28/637970928.db2.gz OKRYHBAVZLHRIY-DTWKUNHWSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H]1CC[N@@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000905976014 637993015 /nfs/dbraw/zinc/99/30/15/637993015.db2.gz XAVZUTYIKVAEBX-NSHDSACASA-N 1 2 245.388 1.828 20 0 BDADLO C[C@H]1CC[N@H+]1CCS(=O)(=O)C1CCCCC1 ZINC000905976014 637993020 /nfs/dbraw/zinc/99/30/20/637993020.db2.gz XAVZUTYIKVAEBX-NSHDSACASA-N 1 2 245.388 1.828 20 0 BDADLO CC[C@@](O)(C[NH+]1CC(C)(OC)C1)C(F)(F)F ZINC000905950490 637998983 /nfs/dbraw/zinc/99/89/83/637998983.db2.gz OXLFNGKJQZKWHJ-SECBINFHSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[N@H+](C)Cc1cn(CCC(C)=O)nn1 ZINC000906273561 638124431 /nfs/dbraw/zinc/12/44/31/638124431.db2.gz WITZXVWBNWETQW-UHFFFAOYSA-N 1 2 224.308 1.099 20 0 BDADLO CCC[N@@H+](C)Cc1cn(CCC(C)=O)nn1 ZINC000906273561 638124437 /nfs/dbraw/zinc/12/44/37/638124437.db2.gz WITZXVWBNWETQW-UHFFFAOYSA-N 1 2 224.308 1.099 20 0 BDADLO CCOCC[N@H+](CC)Cc1cn(C2CC2)nn1 ZINC000906263900 638128254 /nfs/dbraw/zinc/12/82/54/638128254.db2.gz VSJCEXKFUAAWEM-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO CCOCC[N@@H+](CC)Cc1cn(C2CC2)nn1 ZINC000906263900 638128257 /nfs/dbraw/zinc/12/82/57/638128257.db2.gz VSJCEXKFUAAWEM-UHFFFAOYSA-N 1 2 238.335 1.471 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H](C)CCO)c(C)[nH+]1 ZINC000907024358 638290758 /nfs/dbraw/zinc/29/07/58/638290758.db2.gz YQSBQMGYHBRUOF-VIFPVBQESA-N 1 2 236.315 1.508 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](O)C2)c(C)[nH+]1 ZINC000907061476 638295908 /nfs/dbraw/zinc/29/59/08/638295908.db2.gz WLNWUYZTQNTZFD-PHIMTYICSA-N 1 2 234.299 1.260 20 0 BDADLO Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](O)C2)c(C)[nH+]1 ZINC000907193363 638324996 /nfs/dbraw/zinc/32/49/96/638324996.db2.gz XYRKZFQLMZXETR-JOYOIKCWSA-N 1 2 248.326 1.460 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CCCCO1 ZINC000907272904 638331868 /nfs/dbraw/zinc/33/18/68/638331868.db2.gz LVTQPSZTUBKLRD-LLVKDONJSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@H]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000907297230 638344503 /nfs/dbraw/zinc/34/45/03/638344503.db2.gz YHMMSTDBRPTVHI-FZMZJTMJSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC12CCC(CC1)C2 ZINC000907334966 638346987 /nfs/dbraw/zinc/34/69/87/638346987.db2.gz NPCMROAEJRESIE-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO CC(C)(C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907344763 638350808 /nfs/dbraw/zinc/35/08/08/638350808.db2.gz JVXLPIHUIKDMGQ-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO CCOC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000907672225 638441450 /nfs/dbraw/zinc/44/14/50/638441450.db2.gz LGMLAEDSIANQGM-LLVKDONJSA-N 1 2 239.319 1.130 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CCC2(CC2)CC1 ZINC000907758670 638463713 /nfs/dbraw/zinc/46/37/13/638463713.db2.gz HFIDYJWWCWPKCX-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N(CC1CC1)C1CCC1 ZINC000907926108 638514803 /nfs/dbraw/zinc/51/48/03/638514803.db2.gz VPYZNQOQOVWZHJ-UHFFFAOYSA-N 1 2 233.315 1.743 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000908079703 638567958 /nfs/dbraw/zinc/56/79/58/638567958.db2.gz MAHDWMNGNZOVIK-VXGBXAGGSA-N 1 2 249.314 1.122 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@H]1C(F)F ZINC000908507139 639002892 /nfs/dbraw/zinc/00/28/92/639002892.db2.gz WHIAEQVQOGRWAN-QMMMGPOBSA-N 1 2 241.241 1.360 20 0 BDADLO CC1(C2(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000909277606 639194107 /nfs/dbraw/zinc/19/41/07/639194107.db2.gz JPQGADUWVDXIDG-UHFFFAOYSA-N 1 2 219.288 1.401 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)C2(C3CC3)CCC2)c1 ZINC000909858051 639233013 /nfs/dbraw/zinc/23/30/13/639233013.db2.gz XLRIWDLVYXNQRS-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000910063646 639362832 /nfs/dbraw/zinc/36/28/32/639362832.db2.gz YRRZLOQMTPWLPK-NJZULAAPSA-N 1 2 246.310 1.718 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1c1ccco1 ZINC000910568002 639478111 /nfs/dbraw/zinc/47/81/11/639478111.db2.gz OZNZBDWVNLRGJR-NXEZZACHSA-N 1 2 231.255 1.218 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C2CCC2)C1 ZINC000910588036 639479357 /nfs/dbraw/zinc/47/93/57/639479357.db2.gz ZESINKNUKLQFLQ-NSHDSACASA-N 1 2 233.315 1.601 20 0 BDADLO CC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC000911188401 639591943 /nfs/dbraw/zinc/59/19/43/639591943.db2.gz SMPOLUHYWHKKRC-ONGXEEELSA-N 1 2 237.303 1.026 20 0 BDADLO C[N@H+](CCCCO)Cc1c(F)cncc1F ZINC000930254778 639668133 /nfs/dbraw/zinc/66/81/33/639668133.db2.gz VFNVXUXHNQJIJC-UHFFFAOYSA-N 1 2 230.258 1.564 20 0 BDADLO C[N@@H+](CCCCO)Cc1c(F)cncc1F ZINC000930254778 639668136 /nfs/dbraw/zinc/66/81/36/639668136.db2.gz VFNVXUXHNQJIJC-UHFFFAOYSA-N 1 2 230.258 1.564 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930267258 639668737 /nfs/dbraw/zinc/66/87/37/639668737.db2.gz GOABPMWHHXPIJX-UWVGGRQHSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930267258 639668740 /nfs/dbraw/zinc/66/87/40/639668740.db2.gz GOABPMWHHXPIJX-UWVGGRQHSA-N 1 2 241.360 1.664 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000911727452 639753755 /nfs/dbraw/zinc/75/37/55/639753755.db2.gz PFUCFJZPSMUVQY-UHFFFAOYSA-N 1 2 239.395 1.678 20 0 BDADLO CN(C[Si](C)(C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000911727452 639753764 /nfs/dbraw/zinc/75/37/64/639753764.db2.gz PFUCFJZPSMUVQY-UHFFFAOYSA-N 1 2 239.395 1.678 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930463081 639765956 /nfs/dbraw/zinc/76/59/56/639765956.db2.gz SDILWXNGSCVSEJ-XBFCOCLRSA-N 1 2 246.310 1.201 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930463081 639765964 /nfs/dbraw/zinc/76/59/64/639765964.db2.gz SDILWXNGSCVSEJ-XBFCOCLRSA-N 1 2 246.310 1.201 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)N[C@@H](C)C2)c1 ZINC000930640209 639837896 /nfs/dbraw/zinc/83/78/96/639837896.db2.gz NPVBLTXBACDMNP-NSHDSACASA-N 1 2 233.315 1.019 20 0 BDADLO C[C@@H]1C[N@H+](CCCC(C)(F)F)CC(=O)N1 ZINC000930641589 639840185 /nfs/dbraw/zinc/84/01/85/639840185.db2.gz SWMJGLQBCLXQRY-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO C[C@@H]1C[N@@H+](CCCC(C)(F)F)CC(=O)N1 ZINC000930641589 639840187 /nfs/dbraw/zinc/84/01/87/639840187.db2.gz SWMJGLQBCLXQRY-MRVPVSSYSA-N 1 2 220.263 1.242 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+](CC(F)F)C[C@@H](C)O ZINC000930654506 639847600 /nfs/dbraw/zinc/84/76/00/639847600.db2.gz ORBWMSAASKNCLY-BBBLOLIVSA-N 1 2 221.291 1.980 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+](CC(F)F)C[C@@H](C)O ZINC000930654506 639847604 /nfs/dbraw/zinc/84/76/04/639847604.db2.gz ORBWMSAASKNCLY-BBBLOLIVSA-N 1 2 221.291 1.980 20 0 BDADLO OC[C@@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000930702410 639869191 /nfs/dbraw/zinc/86/91/91/639869191.db2.gz PWGGVWHUAROPLI-NSHDSACASA-N 1 2 227.691 1.009 20 0 BDADLO OC[C@@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000930702410 639869197 /nfs/dbraw/zinc/86/91/97/639869197.db2.gz PWGGVWHUAROPLI-NSHDSACASA-N 1 2 227.691 1.009 20 0 BDADLO CC1CC(C[N@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000930760978 639900058 /nfs/dbraw/zinc/90/00/58/639900058.db2.gz YYLPZISQYUGHEN-UHFFFAOYSA-N 1 2 211.265 1.253 20 0 BDADLO CC1CC(C[N@@H+](C)Cc2n[nH]c(=O)o2)C1 ZINC000930760978 639900065 /nfs/dbraw/zinc/90/00/65/639900065.db2.gz YYLPZISQYUGHEN-UHFFFAOYSA-N 1 2 211.265 1.253 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CN(C)C(=O)[C@@H]2C)c1 ZINC000930826919 639926861 /nfs/dbraw/zinc/92/68/61/639926861.db2.gz UOYJJKKMAAWCAR-NSHDSACASA-N 1 2 233.315 1.318 20 0 BDADLO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)n1 ZINC000930830236 639931095 /nfs/dbraw/zinc/93/10/95/639931095.db2.gz GURAFUMNBMTTIZ-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)n1 ZINC000930830236 639931096 /nfs/dbraw/zinc/93/10/96/639931096.db2.gz GURAFUMNBMTTIZ-IJLUTSLNSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)n1 ZINC000930830237 639932368 /nfs/dbraw/zinc/93/23/68/639932368.db2.gz GURAFUMNBMTTIZ-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)n1 ZINC000930830237 639932375 /nfs/dbraw/zinc/93/23/75/639932375.db2.gz GURAFUMNBMTTIZ-QJPTWQEYSA-N 1 2 247.342 1.487 20 0 BDADLO CCCCc1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000912090409 639943244 /nfs/dbraw/zinc/94/32/44/639943244.db2.gz GYGDMFSAJVRMIR-UHFFFAOYSA-N 1 2 247.302 1.657 20 0 BDADLO CSCCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930878325 639967433 /nfs/dbraw/zinc/96/74/33/639967433.db2.gz XGBVGQNZPBEURV-LLVKDONJSA-N 1 2 231.361 1.813 20 0 BDADLO C[C@]12COC[C@@H]1C[N@H+](Cc1nncs1)C2 ZINC000931019841 640024918 /nfs/dbraw/zinc/02/49/18/640024918.db2.gz NHVVSVGEXNXQIF-WPRPVWTQSA-N 1 2 225.317 1.006 20 0 BDADLO C[C@]12COC[C@@H]1C[N@@H+](Cc1nncs1)C2 ZINC000931019841 640024924 /nfs/dbraw/zinc/02/49/24/640024924.db2.gz NHVVSVGEXNXQIF-WPRPVWTQSA-N 1 2 225.317 1.006 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC(C2CCC2)CC1 ZINC000912388234 640047856 /nfs/dbraw/zinc/04/78/56/640047856.db2.gz JUGIZCDGTYIPHY-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931190922 640096733 /nfs/dbraw/zinc/09/67/33/640096733.db2.gz NVRJIZIQCWKANC-UHFFFAOYSA-N 1 2 245.273 1.529 20 0 BDADLO CCC(F)(F)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931190922 640096739 /nfs/dbraw/zinc/09/67/39/640096739.db2.gz NVRJIZIQCWKANC-UHFFFAOYSA-N 1 2 245.273 1.529 20 0 BDADLO CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000912514043 640103300 /nfs/dbraw/zinc/10/33/00/640103300.db2.gz CVCPZROMPFKBCA-JTQLQIEISA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H](C[N@H+](C)C1CS(=O)(=O)C1)CC(C)(C)C ZINC000931234006 640107790 /nfs/dbraw/zinc/10/77/90/640107790.db2.gz PNRFHTLOJPHKPT-SNVBAGLBSA-N 1 2 247.404 1.788 20 0 BDADLO C[C@@H](C[N@@H+](C)C1CS(=O)(=O)C1)CC(C)(C)C ZINC000931234006 640107798 /nfs/dbraw/zinc/10/77/98/640107798.db2.gz PNRFHTLOJPHKPT-SNVBAGLBSA-N 1 2 247.404 1.788 20 0 BDADLO C[N@H+](CCC1CCCC1)C1CS(=O)(=O)C1 ZINC000931241752 640110878 /nfs/dbraw/zinc/11/08/78/640110878.db2.gz SQGJVBFPNDSKKD-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO C[N@@H+](CCC1CCCC1)C1CS(=O)(=O)C1 ZINC000931241752 640110884 /nfs/dbraw/zinc/11/08/84/640110884.db2.gz SQGJVBFPNDSKKD-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584903 640120847 /nfs/dbraw/zinc/12/08/47/640120847.db2.gz UHHCWOHJFQWRTR-IPWDFOCMSA-N 1 2 225.679 1.587 20 0 BDADLO CCc1nc[nH]c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584963 640121207 /nfs/dbraw/zinc/12/12/07/640121207.db2.gz VWEOUQONMFRPGD-SECBINFHSA-N 1 2 245.286 1.043 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912583002 640122023 /nfs/dbraw/zinc/12/20/23/640122023.db2.gz AGQXZYGZWNROBH-LLHIFLOGSA-N 1 2 249.314 1.115 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(C)nnc1C ZINC000931416032 640187666 /nfs/dbraw/zinc/18/76/66/640187666.db2.gz OZHMMSGKYHNETJ-UHFFFAOYSA-N 1 2 245.330 1.757 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(C)nnc1C ZINC000931416032 640187674 /nfs/dbraw/zinc/18/76/74/640187674.db2.gz OZHMMSGKYHNETJ-UHFFFAOYSA-N 1 2 245.330 1.757 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2C(F)F)CCO1 ZINC000931426405 640194440 /nfs/dbraw/zinc/19/44/40/640194440.db2.gz IIAFOZARGPOSOZ-HLTSFMKQSA-N 1 2 205.248 1.893 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2CC[C@H]2C(F)F)CCO1 ZINC000931426405 640194442 /nfs/dbraw/zinc/19/44/42/640194442.db2.gz IIAFOZARGPOSOZ-HLTSFMKQSA-N 1 2 205.248 1.893 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000912983975 640262740 /nfs/dbraw/zinc/26/27/40/640262740.db2.gz LDVXUNJNSHZULD-PHIMTYICSA-N 1 2 233.315 1.405 20 0 BDADLO O=C(Nc1ccns1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000913058888 640297276 /nfs/dbraw/zinc/29/72/76/640297276.db2.gz NKWQKDCGISUGTQ-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccnc1Cl ZINC000029594292 640358090 /nfs/dbraw/zinc/35/80/90/640358090.db2.gz KDTXWNVBWXDSLR-UHFFFAOYSA-N 1 2 236.662 1.570 20 0 BDADLO CC[C@@H](CO)[NH2+]Cc1noc(C2CCC2)n1 ZINC000931771132 640362764 /nfs/dbraw/zinc/36/27/64/640362764.db2.gz DOZXMHOZMFFRRS-VIFPVBQESA-N 1 2 225.292 1.198 20 0 BDADLO CC[C@H](CO)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000931775060 640368446 /nfs/dbraw/zinc/36/84/46/640368446.db2.gz QJBQUCMFLKIMMY-NXEZZACHSA-N 1 2 231.336 1.467 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)no1 ZINC000931935332 640397191 /nfs/dbraw/zinc/39/71/91/640397191.db2.gz DNUYRTFXONPCDY-JTQLQIEISA-N 1 2 248.286 1.664 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](c3noc(C)n3)C2)no1 ZINC000931935332 640397197 /nfs/dbraw/zinc/39/71/97/640397197.db2.gz DNUYRTFXONPCDY-JTQLQIEISA-N 1 2 248.286 1.664 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3ccon3)C2)no1 ZINC000931941504 640400288 /nfs/dbraw/zinc/40/02/88/640400288.db2.gz QEPQBAPZYYQVCD-VIFPVBQESA-N 1 2 234.259 1.356 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccon3)C2)no1 ZINC000931941504 640400293 /nfs/dbraw/zinc/40/02/93/640400293.db2.gz QEPQBAPZYYQVCD-VIFPVBQESA-N 1 2 234.259 1.356 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=S)NC(C)(C)C ZINC000054937238 640423217 /nfs/dbraw/zinc/42/32/17/640423217.db2.gz XOMCTNLOVCZTDI-SECBINFHSA-N 1 2 240.376 1.534 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnns2)CCO1 ZINC000932336827 640477477 /nfs/dbraw/zinc/47/74/77/640477477.db2.gz SIKZUKYBTSXAFH-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnns2)CCO1 ZINC000932336827 640477485 /nfs/dbraw/zinc/47/74/85/640477485.db2.gz SIKZUKYBTSXAFH-QMMMGPOBSA-N 1 2 213.306 1.149 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)CC2)no1 ZINC000932337117 640479541 /nfs/dbraw/zinc/47/95/41/640479541.db2.gz WGWQKQAQWJZDAP-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)CC2)no1 ZINC000932337117 640479543 /nfs/dbraw/zinc/47/95/43/640479543.db2.gz WGWQKQAQWJZDAP-SECBINFHSA-N 1 2 210.277 1.594 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932346527 640487983 /nfs/dbraw/zinc/48/79/83/640487983.db2.gz VKZIOOVQSHYNLM-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000932346527 640487989 /nfs/dbraw/zinc/48/79/89/640487989.db2.gz VKZIOOVQSHYNLM-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CNc1cc(NCc2c(C)nn(C)c2C)nc[nH+]1 ZINC000156815787 640509330 /nfs/dbraw/zinc/50/93/30/640509330.db2.gz OURORROWCZRDAC-UHFFFAOYSA-N 1 2 246.318 1.481 20 0 BDADLO CNc1cc(NCc2c(C)nn(C)c2C)[nH+]cn1 ZINC000156815787 640509333 /nfs/dbraw/zinc/50/93/33/640509333.db2.gz OURORROWCZRDAC-UHFFFAOYSA-N 1 2 246.318 1.481 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](c2ccccn2)C2CC2)[nH]1 ZINC000932384207 640511509 /nfs/dbraw/zinc/51/15/09/640511509.db2.gz HBGBKGKMTQVINR-CYBMUJFWSA-N 1 2 243.314 1.749 20 0 BDADLO CC(C)C[N@H+](Cc1ccccn1)[C@H]1CCOC1=O ZINC000932444922 640529720 /nfs/dbraw/zinc/52/97/20/640529720.db2.gz PHBBITCDFVXSIS-ZDUSSCGKSA-N 1 2 248.326 1.855 20 0 BDADLO CC(C)C[N@@H+](Cc1ccccn1)[C@H]1CCOC1=O ZINC000932444922 640529724 /nfs/dbraw/zinc/52/97/24/640529724.db2.gz PHBBITCDFVXSIS-ZDUSSCGKSA-N 1 2 248.326 1.855 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)CC2CC2)C1 ZINC001030044949 640541176 /nfs/dbraw/zinc/54/11/76/640541176.db2.gz JYTRSTPPEZMNRW-UHFFFAOYSA-N 1 2 222.332 1.553 20 0 BDADLO CCn1ncc(C[N@@H+]2CCn3cccc3C2)n1 ZINC000932525287 640563429 /nfs/dbraw/zinc/56/34/29/640563429.db2.gz WLCDOQJZILMSBK-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO CCn1ncc(C[N@H+]2CCn3cccc3C2)n1 ZINC000932525287 640563435 /nfs/dbraw/zinc/56/34/35/640563435.db2.gz WLCDOQJZILMSBK-UHFFFAOYSA-N 1 2 231.303 1.115 20 0 BDADLO c1cc2n(c1)CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000932524272 640563506 /nfs/dbraw/zinc/56/35/06/640563506.db2.gz JZNBGTNAIDYPSM-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO c1cc2n(c1)CC[N@H+](Cc1cc[nH]n1)C2 ZINC000932524272 640563511 /nfs/dbraw/zinc/56/35/11/640563511.db2.gz JZNBGTNAIDYPSM-UHFFFAOYSA-N 1 2 202.261 1.227 20 0 BDADLO Cc1cccc(C[NH+]2CC(NC(=O)C(C)C)C2)c1 ZINC001030111888 640603267 /nfs/dbraw/zinc/60/32/67/640603267.db2.gz YTDKIHUEMNIYDW-UHFFFAOYSA-N 1 2 246.354 1.951 20 0 BDADLO C[C@H]1C(=O)CCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000932849480 640623654 /nfs/dbraw/zinc/62/36/54/640623654.db2.gz RJDYJFWXMVAGHN-NWDGAFQWSA-N 1 2 225.332 1.857 20 0 BDADLO C[C@H]1C(=O)CCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000932849480 640623657 /nfs/dbraw/zinc/62/36/57/640623657.db2.gz RJDYJFWXMVAGHN-NWDGAFQWSA-N 1 2 225.332 1.857 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ncoc2CC)C1 ZINC001030170561 640652463 /nfs/dbraw/zinc/65/24/63/640652463.db2.gz SLQJHHOFJOHTMB-UHFFFAOYSA-N 1 2 237.303 1.061 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000932975699 640658530 /nfs/dbraw/zinc/65/85/30/640658530.db2.gz ZCADTVSLVMNKIL-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000932975699 640658534 /nfs/dbraw/zinc/65/85/34/640658534.db2.gz ZCADTVSLVMNKIL-JTQLQIEISA-N 1 2 239.319 1.804 20 0 BDADLO CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000932977749 640662146 /nfs/dbraw/zinc/66/21/46/640662146.db2.gz XPFBGKKHEZBRES-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CCO[C@H]1CC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000932977749 640662150 /nfs/dbraw/zinc/66/21/50/640662150.db2.gz XPFBGKKHEZBRES-ZJUUUORDSA-N 1 2 239.319 1.804 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cnc(C)o1 ZINC000933219664 640685571 /nfs/dbraw/zinc/68/55/71/640685571.db2.gz XVFVKLSYDXSYKR-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cnc(C)o1 ZINC000933219664 640685575 /nfs/dbraw/zinc/68/55/75/640685575.db2.gz XVFVKLSYDXSYKR-LLVKDONJSA-N 1 2 237.303 1.084 20 0 BDADLO CCn1cnc2c1CC[N@H+](C[C@H]1CCCO1)C2 ZINC000933262357 640692710 /nfs/dbraw/zinc/69/27/10/640692710.db2.gz DXHOUBDUKZQFKQ-LLVKDONJSA-N 1 2 235.331 1.440 20 0 BDADLO CCn1cnc2c1CC[N@@H+](C[C@H]1CCCO1)C2 ZINC000933262357 640692715 /nfs/dbraw/zinc/69/27/15/640692715.db2.gz DXHOUBDUKZQFKQ-LLVKDONJSA-N 1 2 235.331 1.440 20 0 BDADLO CC[C@H](COC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933271194 640696109 /nfs/dbraw/zinc/69/61/09/640696109.db2.gz BTRPNXMMMUXGOO-SNVBAGLBSA-N 1 2 247.298 1.718 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933401504 640716646 /nfs/dbraw/zinc/71/66/46/640716646.db2.gz MNVQRBAEFKKURE-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933401504 640716648 /nfs/dbraw/zinc/71/66/48/640716648.db2.gz MNVQRBAEFKKURE-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cl/C=C\C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933667109 640740508 /nfs/dbraw/zinc/74/05/08/640740508.db2.gz PGEULRHDBKKZQP-GUYYGXBFSA-N 1 2 245.750 1.866 20 0 BDADLO Cl/C=C\C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933667109 640740514 /nfs/dbraw/zinc/74/05/14/640740514.db2.gz PGEULRHDBKKZQP-GUYYGXBFSA-N 1 2 245.750 1.866 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001030338816 640772244 /nfs/dbraw/zinc/77/22/44/640772244.db2.gz XCUPAWWGYMNOKY-CMPLNLGQSA-N 1 2 238.375 1.879 20 0 BDADLO CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)OC ZINC000226597103 640776090 /nfs/dbraw/zinc/77/60/90/640776090.db2.gz PISLRCBWXDOQGL-ZDCRXTMVSA-N 1 2 243.347 1.323 20 0 BDADLO COCC[N@H+](C)CCN[C@H]1CCc2cccnc21 ZINC000226819495 640794079 /nfs/dbraw/zinc/79/40/79/640794079.db2.gz KKJCZWLBQFCJLS-ZDUSSCGKSA-N 1 2 249.358 1.237 20 0 BDADLO COCC[N@@H+](C)CCN[C@H]1CCc2cccnc21 ZINC000226819495 640794082 /nfs/dbraw/zinc/79/40/82/640794082.db2.gz KKJCZWLBQFCJLS-ZDUSSCGKSA-N 1 2 249.358 1.237 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933969579 640800295 /nfs/dbraw/zinc/80/02/95/640800295.db2.gz WOPVFRSSCPZLGV-PSMNYDHOSA-N 1 2 217.696 1.229 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933969579 640800299 /nfs/dbraw/zinc/80/02/99/640800299.db2.gz WOPVFRSSCPZLGV-PSMNYDHOSA-N 1 2 217.696 1.229 20 0 BDADLO CNc1cc(N2CCC[C@H](CCO)C2)nc[nH+]1 ZINC000227447395 640834928 /nfs/dbraw/zinc/83/49/28/640834928.db2.gz VHZSCWNJHXMXHB-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CCC[C@H](CCO)C2)[nH+]cn1 ZINC000227447395 640834934 /nfs/dbraw/zinc/83/49/34/640834934.db2.gz VHZSCWNJHXMXHB-SNVBAGLBSA-N 1 2 236.319 1.117 20 0 BDADLO CC[NH+]1CC(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001030643748 641046269 /nfs/dbraw/zinc/04/62/69/641046269.db2.gz XGCMFYYMOHNCGG-UHFFFAOYSA-N 1 2 236.315 1.639 20 0 BDADLO C[C@@H]1C[N@H+](Cn2cccnc2=S)CCCO1 ZINC000172494292 641069517 /nfs/dbraw/zinc/06/95/17/641069517.db2.gz IJSHFBJHBWOKMP-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO C[C@@H]1C[N@@H+](Cn2cccnc2=S)CCCO1 ZINC000172494292 641069521 /nfs/dbraw/zinc/06/95/21/641069521.db2.gz IJSHFBJHBWOKMP-SNVBAGLBSA-N 1 2 239.344 1.681 20 0 BDADLO CC1(C)OCC([NH2+]Cc2nccs2)CO1 ZINC000230695312 641082138 /nfs/dbraw/zinc/08/21/38/641082138.db2.gz IYGKBWYOTNUXOB-UHFFFAOYSA-N 1 2 228.317 1.384 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)OCC(C)C ZINC000934118603 641082268 /nfs/dbraw/zinc/08/22/68/641082268.db2.gz UOKNGVLFOMKXRZ-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)OCC(C)C ZINC000934118603 641082273 /nfs/dbraw/zinc/08/22/73/641082273.db2.gz UOKNGVLFOMKXRZ-QWRGUYRKSA-N 1 2 229.320 1.295 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@H]2CC[C@H]2OC)o1 ZINC000934125453 641086302 /nfs/dbraw/zinc/08/63/02/641086302.db2.gz GXTSOHSLUZIJJO-DTWKUNHWSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@H]2CC[C@H]2OC)o1 ZINC000934125453 641086305 /nfs/dbraw/zinc/08/63/05/641086305.db2.gz GXTSOHSLUZIJJO-DTWKUNHWSA-N 1 2 225.292 1.241 20 0 BDADLO CC(=O)C[N@@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934326583 641126208 /nfs/dbraw/zinc/12/62/08/641126208.db2.gz AXWLYAXHGFPEOI-LBPRGKRZSA-N 1 2 232.327 1.786 20 0 BDADLO CC(=O)C[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934326583 641126213 /nfs/dbraw/zinc/12/62/13/641126213.db2.gz AXWLYAXHGFPEOI-LBPRGKRZSA-N 1 2 232.327 1.786 20 0 BDADLO c1cc(C[NH2+][C@H]2CCOC23CCCC3)[nH]n1 ZINC000934393628 641140344 /nfs/dbraw/zinc/14/03/44/641140344.db2.gz ZGYFLNPQVNPWPE-NSHDSACASA-N 1 2 221.304 1.601 20 0 BDADLO CSCC(C)(C)[NH2+]Cc1noc(C)n1 ZINC000934675162 641244687 /nfs/dbraw/zinc/24/46/87/641244687.db2.gz GOSPYJQEVWTQSC-UHFFFAOYSA-N 1 2 215.322 1.609 20 0 BDADLO CCC[C@H](O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000934798971 641274505 /nfs/dbraw/zinc/27/45/05/641274505.db2.gz PYOPKVIGAZZTSZ-NSHDSACASA-N 1 2 247.298 1.112 20 0 BDADLO C[C@]1(C(=O)NC2C[NH+](CCCF)C2)C=CCC1 ZINC001030803576 641360716 /nfs/dbraw/zinc/36/07/16/641360716.db2.gz UMCMQHOUQBIRQU-ZDUSSCGKSA-N 1 2 240.322 1.503 20 0 BDADLO CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935223540 641368116 /nfs/dbraw/zinc/36/81/16/641368116.db2.gz SLSAQEODYOTHAJ-UHFFFAOYSA-N 1 2 247.298 1.671 20 0 BDADLO C[C@@H](c1nc([C@H]2CCOC[C@H]2C)no1)[NH+](C)C ZINC000350604463 641372123 /nfs/dbraw/zinc/37/21/23/641372123.db2.gz XNDWJOBFEUGBLX-UTLUCORTSA-N 1 2 239.319 1.832 20 0 BDADLO C[C@@H](c1nc([C@@H]2CCO[C@H](C)C2)no1)[NH+](C)C ZINC000350609414 641373317 /nfs/dbraw/zinc/37/33/17/641373317.db2.gz VCLVTXAHLMRILI-KXUCPTDWSA-N 1 2 239.319 1.975 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1C/C(C)=C\C(=O)OC ZINC000929658940 641389389 /nfs/dbraw/zinc/38/93/89/641389389.db2.gz FBPNYZKYNSETEH-ZJRUKIMVSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@@H]1COCC[N@H+]1C/C(C)=C\C(=O)OC ZINC000929658940 641389392 /nfs/dbraw/zinc/38/93/92/641389392.db2.gz FBPNYZKYNSETEH-ZJRUKIMVSA-N 1 2 227.304 1.217 20 0 BDADLO CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC=CC1 ZINC000935487919 641417697 /nfs/dbraw/zinc/41/76/97/641417697.db2.gz JXSHZZXJSGWNAA-LLVKDONJSA-N 1 2 245.326 1.670 20 0 BDADLO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1c[nH]nn1 ZINC000935595848 641439767 /nfs/dbraw/zinc/43/97/67/641439767.db2.gz UHPPTVSQSLDQSV-QMMMGPOBSA-N 1 2 248.290 1.153 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC000913715709 641460682 /nfs/dbraw/zinc/46/06/82/641460682.db2.gz PRNGQMPRXNOBTP-UHFFFAOYSA-N 1 2 219.244 1.170 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935966666 641508732 /nfs/dbraw/zinc/50/87/32/641508732.db2.gz ORVUGSFZVGSECV-VIFPVBQESA-N 1 2 247.298 1.670 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001030957634 641522855 /nfs/dbraw/zinc/52/28/55/641522855.db2.gz NAOJFVXZQOAWGQ-UHFFFAOYSA-N 1 2 247.342 1.639 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001030992561 641570993 /nfs/dbraw/zinc/57/09/93/641570993.db2.gz SOEZGOKHHMMBQP-QWHCGFSZSA-N 1 2 245.326 1.005 20 0 BDADLO Cc1cccc([C@@H](O)Cn2cc[nH+]c2)c1 ZINC000044180539 641591621 /nfs/dbraw/zinc/59/16/21/641591621.db2.gz YXPPDOAQEVRONM-LBPRGKRZSA-N 1 2 202.257 1.925 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC001031044509 641639704 /nfs/dbraw/zinc/63/97/04/641639704.db2.gz ZQHRQMNXQIKNDK-ZJUUUORDSA-N 1 2 210.321 1.243 20 0 BDADLO Cc1ccc(NC(=O)c2ccon2)c(N(C)C)[nH+]1 ZINC000152755587 641641700 /nfs/dbraw/zinc/64/17/00/641641700.db2.gz FIMWNDTWBZHVGF-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO CC1(CNC(=O)Cc2c[nH]c[nH+]2)CC(F)(F)C1 ZINC000914362250 641644532 /nfs/dbraw/zinc/64/45/32/641644532.db2.gz PGUVBOGMWAOUKN-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO CC1(C)C[N@H+](Cc2ccoc2)C[C@H](CO)O1 ZINC000158726752 641648295 /nfs/dbraw/zinc/64/82/95/641648295.db2.gz RLZMMMLPIGHXDP-LLVKDONJSA-N 1 2 225.288 1.251 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccoc2)C[C@H](CO)O1 ZINC000158726752 641648298 /nfs/dbraw/zinc/64/82/98/641648298.db2.gz RLZMMMLPIGHXDP-LLVKDONJSA-N 1 2 225.288 1.251 20 0 BDADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)CC(F)F ZINC000914370638 641650604 /nfs/dbraw/zinc/65/06/04/641650604.db2.gz GOJJSRVTFXVWOE-UHFFFAOYSA-N 1 2 245.273 1.681 20 0 BDADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000158830569 641652731 /nfs/dbraw/zinc/65/27/31/641652731.db2.gz LJGBPTUYKNOQCE-VHSXEESVSA-N 1 2 244.335 1.230 20 0 BDADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000158830569 641652738 /nfs/dbraw/zinc/65/27/38/641652738.db2.gz LJGBPTUYKNOQCE-VHSXEESVSA-N 1 2 244.335 1.230 20 0 BDADLO CC1(C)C[C@@]1(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000914376994 641652985 /nfs/dbraw/zinc/65/29/85/641652985.db2.gz NHPDFRJRVWMQCU-LBPRGKRZSA-N 1 2 221.304 1.505 20 0 BDADLO CC[NH+]1CC(NC(=O)c2csc(Cl)c2)C1 ZINC001031052484 641660009 /nfs/dbraw/zinc/66/00/09/641660009.db2.gz NUMHBNFUJSKVDP-UHFFFAOYSA-N 1 2 244.747 1.835 20 0 BDADLO CO[C@H]1C[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000914406750 641663016 /nfs/dbraw/zinc/66/30/16/641663016.db2.gz OPMJRBSOJAOZEQ-XYPYZODXSA-N 1 2 249.314 1.035 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC001031175760 641774801 /nfs/dbraw/zinc/77/48/01/641774801.db2.gz PZBHPQGUDMFKGZ-CMPLNLGQSA-N 1 2 210.321 1.243 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001031170084 641767765 /nfs/dbraw/zinc/76/77/65/641767765.db2.gz KYQJAJPLZYITAU-QWRGUYRKSA-N 1 2 210.321 1.099 20 0 BDADLO CC/C=C(/C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000914879626 641778606 /nfs/dbraw/zinc/77/86/06/641778606.db2.gz NZHALTOHRSXHRM-DKRCXCIFSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C=C(/C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000914879627 641779273 /nfs/dbraw/zinc/77/92/73/641779273.db2.gz NZHALTOHRSXHRM-QJGQKNTRSA-N 1 2 240.347 1.180 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(F)CCCCC2)C1 ZINC001031199316 641801943 /nfs/dbraw/zinc/80/19/43/641801943.db2.gz PXRDDNHSRICETM-UHFFFAOYSA-N 1 2 228.311 1.479 20 0 BDADLO CCC[NH+]1CCN(C(=O)c2ccns2)CC1 ZINC000948596280 641815927 /nfs/dbraw/zinc/81/59/27/641815927.db2.gz WMDBWGUFTTUPHT-UHFFFAOYSA-N 1 2 239.344 1.311 20 0 BDADLO O=C(NCCC1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153551632 641818477 /nfs/dbraw/zinc/81/84/77/641818477.db2.gz DHYCDISRZYSMEF-GFCCVEGCSA-N 1 2 247.342 1.752 20 0 BDADLO CC[C@@H]1C[C@H](C(=O)NC2C[NH+](CC)C2)CCO1 ZINC001031216689 641824812 /nfs/dbraw/zinc/82/48/12/641824812.db2.gz XWCUVINQLZENHB-ZYHUDNBSSA-N 1 2 240.347 1.012 20 0 BDADLO CC[NH+]1CC(NC(=O)c2coc(C3CCC3)n2)C1 ZINC001031224855 641829428 /nfs/dbraw/zinc/82/94/28/641829428.db2.gz SOFJNLQIQSXFMA-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO CCC(=O)CC[N@@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000190231588 641851554 /nfs/dbraw/zinc/85/15/54/641851554.db2.gz RULDFRSFMFKRBY-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO CCC(=O)CC[N@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000190231588 641851560 /nfs/dbraw/zinc/85/15/60/641851560.db2.gz RULDFRSFMFKRBY-SNVBAGLBSA-N 1 2 249.376 1.111 20 0 BDADLO CCN(C(=O)c1ccoc1)C1C[NH+](CC)C1 ZINC000949676013 641851771 /nfs/dbraw/zinc/85/17/71/641851771.db2.gz KUVSYADNDLVBAH-UHFFFAOYSA-N 1 2 222.288 1.446 20 0 BDADLO CCCc1nc(C(=O)NC2C[NH+](CC)C2)co1 ZINC001031250142 641860552 /nfs/dbraw/zinc/86/05/52/641860552.db2.gz VORFUWJRRKXQDA-UHFFFAOYSA-N 1 2 237.303 1.061 20 0 BDADLO C/C=C/C=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800096422 641863169 /nfs/dbraw/zinc/86/31/69/641863169.db2.gz DGIJWCJNWUVEPK-WBOWPWJFSA-N 1 2 239.315 1.383 20 0 BDADLO C/C=C/C=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800096422 641863176 /nfs/dbraw/zinc/86/31/76/641863176.db2.gz DGIJWCJNWUVEPK-WBOWPWJFSA-N 1 2 239.315 1.383 20 0 BDADLO CCc1n[nH]cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000732766310 641869039 /nfs/dbraw/zinc/86/90/39/641869039.db2.gz QNFLUVWGCPMMLQ-UHFFFAOYSA-N 1 2 230.271 1.350 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CF)C1 ZINC000916110043 641907227 /nfs/dbraw/zinc/90/72/27/641907227.db2.gz RJSUIHKRRZKEGV-SECBINFHSA-N 1 2 225.267 1.079 20 0 BDADLO C[C@@H]([NH2+]C/C=C/Cl)c1nnnn1C1CC1 ZINC000191470764 641923159 /nfs/dbraw/zinc/92/31/59/641923159.db2.gz XNKRPEATISAPHM-AJCRVFRXSA-N 1 2 227.699 1.411 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc3ccccc3o2)C1 ZINC001031350152 641987992 /nfs/dbraw/zinc/98/79/92/641987992.db2.gz IDLGNMPTPDRZQT-UHFFFAOYSA-N 1 2 244.294 1.867 20 0 BDADLO CC(C)(C)[C@@H](O)C(=O)OCc1ccc(N)[nH+]c1 ZINC000917043256 641996101 /nfs/dbraw/zinc/99/61/01/641996101.db2.gz FYQDYXSCHXERFW-JTQLQIEISA-N 1 2 238.287 1.114 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOC1CC1 ZINC000929972810 642039894 /nfs/dbraw/zinc/03/98/94/642039894.db2.gz FUNNJBZBDOXYTD-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOC1CC1 ZINC000929972810 642039901 /nfs/dbraw/zinc/03/99/01/642039901.db2.gz FUNNJBZBDOXYTD-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CC(C)c1noc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000923757002 642109894 /nfs/dbraw/zinc/10/98/94/642109894.db2.gz BUFTUKKIIBGLRY-RKDXNWHRSA-N 1 2 225.292 1.585 20 0 BDADLO CC(C)c1noc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000923757002 642109898 /nfs/dbraw/zinc/10/98/98/642109898.db2.gz BUFTUKKIIBGLRY-RKDXNWHRSA-N 1 2 225.292 1.585 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001031424682 642125318 /nfs/dbraw/zinc/12/53/18/642125318.db2.gz XVBQSUJRZQYTCN-UHFFFAOYSA-N 1 2 244.338 1.998 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001031467998 642182634 /nfs/dbraw/zinc/18/26/34/642182634.db2.gz JIJKECXICDMJIC-NEPJUHHUSA-N 1 2 240.347 1.012 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccc(F)s2)C1 ZINC001031473272 642185211 /nfs/dbraw/zinc/18/52/11/642185211.db2.gz NEYZNONZJYPOSJ-UHFFFAOYSA-N 1 2 242.319 1.711 20 0 BDADLO Cc1ccc(C(=O)NCC2C[NH+](CCF)C2)o1 ZINC001031533813 642280529 /nfs/dbraw/zinc/28/05/29/642280529.db2.gz NPLREGHSENRPBZ-UHFFFAOYSA-N 1 2 240.278 1.219 20 0 BDADLO Cn1cc[nH+]c1Cn1ccnc1C(F)(F)F ZINC000919901318 642403785 /nfs/dbraw/zinc/40/37/85/642403785.db2.gz RHOBKARCFDOOEU-UHFFFAOYSA-N 1 2 230.193 1.684 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cnoc1C ZINC000933230546 642405868 /nfs/dbraw/zinc/40/58/68/642405868.db2.gz ZANRKRRXZRRKDJ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cnoc1C ZINC000933230546 642405871 /nfs/dbraw/zinc/40/58/71/642405871.db2.gz ZANRKRRXZRRKDJ-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CCn1cnc2c1CC[N@H+](Cc1cn(C)cn1)C2 ZINC000933254487 642426544 /nfs/dbraw/zinc/42/65/44/642426544.db2.gz QCJAYNXKOARNQU-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1cnc2c1CC[N@@H+](Cc1cn(C)cn1)C2 ZINC000933254487 642426550 /nfs/dbraw/zinc/42/65/50/642426550.db2.gz QCJAYNXKOARNQU-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO C[C@H](c1nc(C2CCOCC2)no1)[NH+](C)C ZINC000923870350 642434985 /nfs/dbraw/zinc/43/49/85/642434985.db2.gz GCINFQHFKCUVEW-MRVPVSSYSA-N 1 2 225.292 1.586 20 0 BDADLO C#CCC[NH+]1CCN(C(=O)c2ccoc2C)CC1 ZINC000064442520 642655356 /nfs/dbraw/zinc/65/53/56/642655356.db2.gz CMLPFBHCGLGYQR-UHFFFAOYSA-N 1 2 246.310 1.369 20 0 BDADLO CC[C@H]1CN(c2cc(NC)[nH+]cn2)CCCO1 ZINC000305989416 642717518 /nfs/dbraw/zinc/71/75/18/642717518.db2.gz UAAIHINQCJCYMK-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CC[C@H]1CN(c2cc(NC)nc[nH+]2)CCCO1 ZINC000305989416 642717526 /nfs/dbraw/zinc/71/75/26/642717526.db2.gz UAAIHINQCJCYMK-JTQLQIEISA-N 1 2 236.319 1.524 20 0 BDADLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)CC[C@H]1C ZINC000964511969 642754480 /nfs/dbraw/zinc/75/44/80/642754480.db2.gz SWBSBMIZPIFGPJ-BXKDBHETSA-N 1 2 237.303 1.021 20 0 BDADLO CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)CC[C@H]1C ZINC000964511969 642754488 /nfs/dbraw/zinc/75/44/88/642754488.db2.gz SWBSBMIZPIFGPJ-BXKDBHETSA-N 1 2 237.303 1.021 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000181435538 642871808 /nfs/dbraw/zinc/87/18/08/642871808.db2.gz GYPNVFBZSRWPEQ-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000181435538 642871812 /nfs/dbraw/zinc/87/18/12/642871812.db2.gz GYPNVFBZSRWPEQ-LLVKDONJSA-N 1 2 229.320 1.296 20 0 BDADLO CCC[C@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181631197 642891956 /nfs/dbraw/zinc/89/19/56/642891956.db2.gz XRVZZUUNOMDBEU-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO COC(OC)[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000070622845 643048544 /nfs/dbraw/zinc/04/85/44/643048544.db2.gz NCDUFFYUZFNDSW-QMMMGPOBSA-N 1 2 214.265 1.080 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@H]1CC[C@@H](F)C1 ZINC001031929363 643070716 /nfs/dbraw/zinc/07/07/16/643070716.db2.gz HBDCQQCEPJJQOE-WDEREUQCSA-N 1 2 246.301 1.142 20 0 BDADLO C[C@H](NC(=O)c1ccco1)C1C[NH+](CCF)C1 ZINC000969215925 643110519 /nfs/dbraw/zinc/11/05/19/643110519.db2.gz MEFLSWULKRAYJI-VIFPVBQESA-N 1 2 240.278 1.299 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932345776 643156237 /nfs/dbraw/zinc/15/62/37/643156237.db2.gz PSRZLTGFVPCLGI-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCO[C@H](C)CC1 ZINC000932345776 643156244 /nfs/dbraw/zinc/15/62/44/643156244.db2.gz PSRZLTGFVPCLGI-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCOc1ccc(C[N@H+](C)[C@H]2CCOC2=O)cc1 ZINC000073604697 643220919 /nfs/dbraw/zinc/22/09/19/643220919.db2.gz SNPPQDINPYXNIE-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO CCOc1ccc(C[N@@H+](C)[C@H]2CCOC2=O)cc1 ZINC000073604697 643220924 /nfs/dbraw/zinc/22/09/24/643220924.db2.gz SNPPQDINPYXNIE-ZDUSSCGKSA-N 1 2 249.310 1.833 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000091541938 643331159 /nfs/dbraw/zinc/33/11/59/643331159.db2.gz NEOQNJKOQFKDQI-UHFFFAOYSA-N 1 2 226.276 1.040 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000091541938 643331162 /nfs/dbraw/zinc/33/11/62/643331162.db2.gz NEOQNJKOQFKDQI-UHFFFAOYSA-N 1 2 226.276 1.040 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000049751567 643355601 /nfs/dbraw/zinc/35/56/01/643355601.db2.gz PFDHTAUHMTYJLF-NSHDSACASA-N 1 2 229.320 1.177 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000049751567 643355608 /nfs/dbraw/zinc/35/56/08/643355608.db2.gz PFDHTAUHMTYJLF-NSHDSACASA-N 1 2 229.320 1.177 20 0 BDADLO C[C@@H]([NH2+]CC1(C)COC1)C(=O)OC(C)(C)C ZINC000082784076 643380794 /nfs/dbraw/zinc/38/07/94/643380794.db2.gz ZSWCDIZYKBTOCA-SECBINFHSA-N 1 2 229.320 1.343 20 0 BDADLO CCCCOC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000049774050 643391655 /nfs/dbraw/zinc/39/16/55/643391655.db2.gz DDKRITSCKKFHCT-NSHDSACASA-N 1 2 229.320 1.034 20 0 BDADLO CCCCOC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000049774050 643391657 /nfs/dbraw/zinc/39/16/57/643391657.db2.gz DDKRITSCKKFHCT-NSHDSACASA-N 1 2 229.320 1.034 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)cn1 ZINC000307486557 643487673 /nfs/dbraw/zinc/48/76/73/643487673.db2.gz BYWUKPAQPLLRQT-IONNQARKSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)cn1 ZINC000307486557 643487679 /nfs/dbraw/zinc/48/76/79/643487679.db2.gz BYWUKPAQPLLRQT-IONNQARKSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@H]([NH2+]Cc1cscn1)c1cnn(C)c1 ZINC000082626012 643518359 /nfs/dbraw/zinc/51/83/59/643518359.db2.gz UXLULJFIPQBUMI-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NC/C=C/Cl ZINC000891207369 643554424 /nfs/dbraw/zinc/55/44/24/643554424.db2.gz DMLHVNHPPUPMGY-DUXPYHPUSA-N 1 2 227.695 1.532 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nnc(C(C)(C)C)o1 ZINC000050103853 643591272 /nfs/dbraw/zinc/59/12/72/643591272.db2.gz WKPWOFAGOCHURT-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nnc(C(C)(C)C)o1 ZINC000050103853 643591279 /nfs/dbraw/zinc/59/12/79/643591279.db2.gz WKPWOFAGOCHURT-UHFFFAOYSA-N 1 2 241.335 1.570 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)C(F)F ZINC000236135201 643597898 /nfs/dbraw/zinc/59/78/98/643597898.db2.gz PCJWVRPVPCUCNA-UHFFFAOYSA-N 1 2 217.219 1.045 20 0 BDADLO C[C@@H]([NH2+]Cc1ccon1)c1ccncc1 ZINC000086453773 643634238 /nfs/dbraw/zinc/63/42/38/643634238.db2.gz ZPTMUYMSIOGTTK-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO Cc1ccc(NCCNC(=O)C(F)(F)F)[nH+]c1 ZINC000921873151 643813802 /nfs/dbraw/zinc/81/38/02/643813802.db2.gz OVOJXDMRXJKDBG-UHFFFAOYSA-N 1 2 247.220 1.480 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)cnc1C ZINC000921874011 643814442 /nfs/dbraw/zinc/81/44/42/643814442.db2.gz BWANDKMGBWQZOA-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)cnc1C ZINC000921874011 643814446 /nfs/dbraw/zinc/81/44/46/643814446.db2.gz BWANDKMGBWQZOA-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CC[C@H]1C[N@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC000929256251 643824851 /nfs/dbraw/zinc/82/48/51/643824851.db2.gz AAJLRUVDFOTLPT-BRNRAETOSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1C[N@@H+](C/C(C)=C\C(=O)OC)CCO1 ZINC000929256251 643824854 /nfs/dbraw/zinc/82/48/54/643824854.db2.gz AAJLRUVDFOTLPT-BRNRAETOSA-N 1 2 227.304 1.217 20 0 BDADLO Cc1cc(C[N@H+](C)CCO[C@H]2CCOC2)no1 ZINC000929258950 643834589 /nfs/dbraw/zinc/83/45/89/643834589.db2.gz KOCSFICUYHVKOB-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO Cc1cc(C[N@@H+](C)CCO[C@H]2CCOC2)no1 ZINC000929258950 643834593 /nfs/dbraw/zinc/83/45/93/643834593.db2.gz KOCSFICUYHVKOB-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/C1CC1 ZINC000085987282 643877961 /nfs/dbraw/zinc/87/79/61/643877961.db2.gz IYYQAAOGOZJHBU-SNAWJCMRSA-N 1 2 206.245 1.430 20 0 BDADLO CCCCC(=O)OCc1ccc[nH+]c1N ZINC000922176158 643890846 /nfs/dbraw/zinc/89/08/46/643890846.db2.gz QKMXFQXOXWLFSX-UHFFFAOYSA-N 1 2 208.261 1.897 20 0 BDADLO Nc1ccc(COC(=O)CSC(F)F)c[nH+]1 ZINC000922264640 643934285 /nfs/dbraw/zinc/93/42/85/643934285.db2.gz HAPJZCWPLMOHJW-UHFFFAOYSA-N 1 2 248.254 1.663 20 0 BDADLO Nc1ccc(COC(=O)C[C@@H]2CCCO2)c[nH+]1 ZINC000922345120 643978705 /nfs/dbraw/zinc/97/87/05/643978705.db2.gz GHWSCZGHEVCIJS-JTQLQIEISA-N 1 2 236.271 1.276 20 0 BDADLO CCO[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922344875 643978886 /nfs/dbraw/zinc/97/88/86/643978886.db2.gz NQYURCAUOKRNCF-QMMMGPOBSA-N 1 2 224.260 1.132 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C[C@@H]1CCCO1 ZINC000922347613 643979003 /nfs/dbraw/zinc/97/90/03/643979003.db2.gz SMKWZEJNPFRZMH-JTQLQIEISA-N 1 2 236.271 1.276 20 0 BDADLO CCO[C@H](CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922381151 643983607 /nfs/dbraw/zinc/98/36/07/643983607.db2.gz GBUAJWPEZJQSQX-SNVBAGLBSA-N 1 2 238.287 1.522 20 0 BDADLO Nc1ccc(COC(=O)C2=COCC2)c[nH+]1 ZINC000922455881 643997248 /nfs/dbraw/zinc/99/72/48/643997248.db2.gz QIZHDGLOPHONKI-UHFFFAOYSA-N 1 2 220.228 1.011 20 0 BDADLO Cc1nc(C)c(C(=O)OCc2ccc[nH+]c2N)o1 ZINC000922507748 644006620 /nfs/dbraw/zinc/00/66/20/644006620.db2.gz KJUIZWJKDFNBHV-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000922508899 644007719 /nfs/dbraw/zinc/00/77/19/644007719.db2.gz DFYVXLMURRBBCG-CHWFTXMASA-N 1 2 249.362 1.562 20 0 BDADLO CC(C)(F)C(=O)OCc1ccc[nH+]c1N ZINC000922577107 644031055 /nfs/dbraw/zinc/03/10/55/644031055.db2.gz LFJNPFSTUBKHEW-UHFFFAOYSA-N 1 2 212.224 1.455 20 0 BDADLO CCn1cnnc1NCc1c[nH+]cn1C(C)C ZINC000922661837 644059471 /nfs/dbraw/zinc/05/94/71/644059471.db2.gz QSGLKHXKYUTOJE-UHFFFAOYSA-N 1 2 234.307 1.688 20 0 BDADLO CCCSCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922662000 644061172 /nfs/dbraw/zinc/06/11/72/644061172.db2.gz FXSZWIDCVDODCO-UHFFFAOYSA-N 1 2 240.328 1.850 20 0 BDADLO Nc1ccc(COC(=O)/C=C/[C@@H]2CCOC2)c[nH+]1 ZINC000922777515 644092091 /nfs/dbraw/zinc/09/20/91/644092091.db2.gz UGMDVMOUZVKYON-XCRNYIDWSA-N 1 2 248.282 1.300 20 0 BDADLO Nc1ccc(COC(=O)CSC2CC2)c[nH+]1 ZINC000922772557 644092204 /nfs/dbraw/zinc/09/22/04/644092204.db2.gz DKTDAAIBVGEIMN-UHFFFAOYSA-N 1 2 238.312 1.603 20 0 BDADLO FC1(C[NH2+]Cc2nc3c(s2)COCC3)CC1 ZINC000922962173 644204913 /nfs/dbraw/zinc/20/49/13/644204913.db2.gz WPGJEHAVKVXIFO-UHFFFAOYSA-N 1 2 242.319 1.808 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cncc(O)c2)nn1 ZINC000922975169 644205509 /nfs/dbraw/zinc/20/55/09/644205509.db2.gz AJWOTSLQIUZIDH-UHFFFAOYSA-N 1 2 230.271 1.175 20 0 BDADLO C[C@](O)(CC[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000189846237 644289055 /nfs/dbraw/zinc/28/90/55/644289055.db2.gz HAOREUQPTYSCDQ-AWEZNQCLSA-N 1 2 245.326 1.797 20 0 BDADLO CCC[N@H+](CCO)Cc1c(Cl)c(C)nn1C ZINC000084275464 644423650 /nfs/dbraw/zinc/42/36/50/644423650.db2.gz AGURJOBKPPRFET-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CCC[N@@H+](CCO)Cc1c(Cl)c(C)nn1C ZINC000084275464 644423653 /nfs/dbraw/zinc/42/36/53/644423653.db2.gz AGURJOBKPPRFET-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CCO[C@H]1[C@H](C(=O)OCCn2cc[nH+]c2)[C@@H]1C ZINC000923440493 644433061 /nfs/dbraw/zinc/43/30/61/644433061.db2.gz HRCDGAIHOAMEPD-HBNTYKKESA-N 1 2 238.287 1.097 20 0 BDADLO CCn1nc(C)cc1C(=O)OCc1c[nH+]cn1C ZINC000085987968 644454541 /nfs/dbraw/zinc/45/45/41/644454541.db2.gz ZRLBARIWKZMAOM-UHFFFAOYSA-N 1 2 248.286 1.302 20 0 BDADLO CN(C)C(=O)OCCNc1cccc[nH+]1 ZINC000199852472 644499082 /nfs/dbraw/zinc/49/90/82/644499082.db2.gz UGXZGFWMNIBYHC-UHFFFAOYSA-N 1 2 209.249 1.192 20 0 BDADLO CN(CC[N@H+](C)[C@H]1CCOC1=O)c1ccccc1 ZINC000245898963 644551658 /nfs/dbraw/zinc/55/16/58/644551658.db2.gz FJUVQRUZNJHONE-ZDUSSCGKSA-N 1 2 248.326 1.370 20 0 BDADLO CN(CC[N@@H+](C)[C@H]1CCOC1=O)c1ccccc1 ZINC000245898963 644551666 /nfs/dbraw/zinc/55/16/66/644551666.db2.gz FJUVQRUZNJHONE-ZDUSSCGKSA-N 1 2 248.326 1.370 20 0 BDADLO CC(C)(C)[C@@H](O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000765041932 644662500 /nfs/dbraw/zinc/66/25/00/644662500.db2.gz NYNLPOFONSPWQQ-NSHDSACASA-N 1 2 247.298 1.680 20 0 BDADLO O=C(OCCn1cc[nH+]c1)[C@H]1CC1(Cl)Cl ZINC000771876463 644690716 /nfs/dbraw/zinc/69/07/16/644690716.db2.gz YJVHOPKHCONHRC-SSDOTTSWSA-N 1 2 249.097 1.620 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1=CCCCO1 ZINC000779214992 644710979 /nfs/dbraw/zinc/71/09/79/644710979.db2.gz IRBFMEAKDACRGF-SNVBAGLBSA-N 1 2 247.298 1.008 20 0 BDADLO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)OC(C)(C)C ZINC000094801696 644729518 /nfs/dbraw/zinc/72/95/18/644729518.db2.gz VLBLHLZSJCUBDG-ZWNOBZJWSA-N 1 2 243.347 1.875 20 0 BDADLO CCc1ocnc1C(=O)OCCc1c[nH+]cn1C ZINC000793237859 644801515 /nfs/dbraw/zinc/80/15/15/644801515.db2.gz JVYLXQHNLXNECT-UHFFFAOYSA-N 1 2 249.270 1.370 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1occ2c1CCC2 ZINC000797107115 644817616 /nfs/dbraw/zinc/81/76/16/644817616.db2.gz YSHFLBBLGIZMLK-UHFFFAOYSA-N 1 2 246.266 1.859 20 0 BDADLO Cc1[nH]nc(NC(=O)CCc2[nH]cc[nH+]2)c1C ZINC000806631386 644854917 /nfs/dbraw/zinc/85/49/17/644854917.db2.gz LNWHJIKGIGMWPD-UHFFFAOYSA-N 1 2 233.275 1.321 20 0 BDADLO COc1cccc2c1C[N@H+](Cn1cnnc1)CC2 ZINC000840135274 644877587 /nfs/dbraw/zinc/87/75/87/644877587.db2.gz CZNQUHWQBPFEMM-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO COc1cccc2c1C[N@@H+](Cn1cnnc1)CC2 ZINC000840135274 644877595 /nfs/dbraw/zinc/87/75/95/644877595.db2.gz CZNQUHWQBPFEMM-UHFFFAOYSA-N 1 2 244.298 1.303 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000304341155 644893435 /nfs/dbraw/zinc/89/34/35/644893435.db2.gz TUHWAKXSJUPFGO-GHMZBOCLSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC000304341155 644893438 /nfs/dbraw/zinc/89/34/38/644893438.db2.gz TUHWAKXSJUPFGO-GHMZBOCLSA-N 1 2 229.320 1.175 20 0 BDADLO CC1(C(N)=O)C[NH+](Cc2cccc(Cl)n2)C1 ZINC000829054888 645106648 /nfs/dbraw/zinc/10/66/48/645106648.db2.gz WGVFDPOXKTXBTC-UHFFFAOYSA-N 1 2 239.706 1.042 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000926818223 645442995 /nfs/dbraw/zinc/44/29/95/645442995.db2.gz XBDNVHHQDZDSIT-WPRPVWTQSA-N 1 2 247.302 1.760 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000926818220 645443587 /nfs/dbraw/zinc/44/35/87/645443587.db2.gz XBDNVHHQDZDSIT-SCZZXKLOSA-N 1 2 247.302 1.760 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCO[C@@H]1CCOC1 ZINC000927086617 645542867 /nfs/dbraw/zinc/54/28/67/645542867.db2.gz XEWPGLQKBAMMHV-GXSJLCMTSA-N 1 2 239.319 1.174 20 0 BDADLO COC/C(C)=C/C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000930260342 645553753 /nfs/dbraw/zinc/55/37/53/645553753.db2.gz LJODGNXQYWPRFO-XZVMVYRFSA-N 1 2 245.388 1.422 20 0 BDADLO COC/C(C)=C/C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000930260342 645553760 /nfs/dbraw/zinc/55/37/60/645553760.db2.gz LJODGNXQYWPRFO-XZVMVYRFSA-N 1 2 245.388 1.422 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccnnc2)c[nH+]1 ZINC000857532111 645601662 /nfs/dbraw/zinc/60/16/62/645601662.db2.gz RWBRQGPPJXGPFN-UHFFFAOYSA-N 1 2 242.282 1.418 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927406755 645602094 /nfs/dbraw/zinc/60/20/94/645602094.db2.gz BYMLHWAVNVNVHN-YPMHNXCESA-N 1 2 247.342 1.515 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)c[nH+]1 ZINC000927777730 645654317 /nfs/dbraw/zinc/65/43/17/645654317.db2.gz MULMCQCKQSXZDA-NWDGAFQWSA-N 1 2 245.326 1.716 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(F)c(C)c1 ZINC000857712085 645657816 /nfs/dbraw/zinc/65/78/16/645657816.db2.gz IHLZWWFITLCVQO-UHFFFAOYSA-N 1 2 248.261 1.491 20 0 BDADLO COC1CC(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000863888653 645709430 /nfs/dbraw/zinc/70/94/30/645709430.db2.gz IVJFFDHTZQRQAO-UHFFFAOYSA-N 1 2 245.282 1.698 20 0 BDADLO C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000878491533 645815632 /nfs/dbraw/zinc/81/56/32/645815632.db2.gz NHJJOVQPKVTPJK-GBIKHYSHSA-N 1 2 248.330 1.120 20 0 BDADLO C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCc2nn[nH]c2C1 ZINC000878491533 645815638 /nfs/dbraw/zinc/81/56/38/645815638.db2.gz NHJJOVQPKVTPJK-GBIKHYSHSA-N 1 2 248.330 1.120 20 0 BDADLO CCCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928642356 645853420 /nfs/dbraw/zinc/85/34/20/645853420.db2.gz GLRXPDRFXPWQSV-LBPRGKRZSA-N 1 2 242.363 1.404 20 0 BDADLO CCOCC[N@H+](C)[C@H](C)c1ncccn1 ZINC000930176629 645860155 /nfs/dbraw/zinc/86/01/55/645860155.db2.gz UQODVHQVDVMJSY-SNVBAGLBSA-N 1 2 209.293 1.506 20 0 BDADLO CCOCC[N@@H+](C)[C@H](C)c1ncccn1 ZINC000930176629 645860157 /nfs/dbraw/zinc/86/01/57/645860157.db2.gz UQODVHQVDVMJSY-SNVBAGLBSA-N 1 2 209.293 1.506 20 0 BDADLO COCC[NH2+]Cc1nc(CCC(C)(C)C)no1 ZINC000302305994 645904993 /nfs/dbraw/zinc/90/49/93/645904993.db2.gz NYESFMVYBXIMPO-UHFFFAOYSA-N 1 2 241.335 1.784 20 0 BDADLO COC/C(C)=C\C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000929098566 645941222 /nfs/dbraw/zinc/94/12/22/645941222.db2.gz WERGYXBRRJGFPF-SEVUFMINSA-N 1 2 241.331 1.607 20 0 BDADLO COC/C(C)=C\C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000929098566 645941229 /nfs/dbraw/zinc/94/12/29/645941229.db2.gz WERGYXBRRJGFPF-SEVUFMINSA-N 1 2 241.331 1.607 20 0 BDADLO COCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930323285 645951740 /nfs/dbraw/zinc/95/17/40/645951740.db2.gz FWSTXZVBLWUKDV-UHFFFAOYSA-N 1 2 233.271 1.281 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000929182735 645990309 /nfs/dbraw/zinc/99/03/09/645990309.db2.gz PLTMTHKEQDKEAS-ZUBHOKJJSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000929182735 645990316 /nfs/dbraw/zinc/99/03/16/645990316.db2.gz PLTMTHKEQDKEAS-ZUBHOKJJSA-N 1 2 227.304 1.215 20 0 BDADLO C[C@H](c1nc(CCCCF)no1)[NH+](C)C ZINC000924172903 646001433 /nfs/dbraw/zinc/00/14/33/646001433.db2.gz BLEVADZEXWHIMB-MRVPVSSYSA-N 1 2 215.272 1.984 20 0 BDADLO CC(C)c1nsc(CN2CC[NH+](C)CC2)n1 ZINC000929233516 646026343 /nfs/dbraw/zinc/02/63/43/646026343.db2.gz IEYBIMDCEQEVSB-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnn(CCF)c2)CCO1 ZINC000929258438 646040424 /nfs/dbraw/zinc/04/04/24/646040424.db2.gz ZRGJFBRMPCJYET-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)CCO1 ZINC000929258438 646040434 /nfs/dbraw/zinc/04/04/34/646040434.db2.gz ZRGJFBRMPCJYET-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CC[N@@H+](Cc1nnc(OC)s1)C(C)C ZINC000929314633 646075576 /nfs/dbraw/zinc/07/55/76/646075576.db2.gz CLGWWQQILOTFHL-UHFFFAOYSA-N 1 2 215.322 1.777 20 0 BDADLO CC[N@H+](Cc1nnc(OC)s1)C(C)C ZINC000929314633 646075572 /nfs/dbraw/zinc/07/55/72/646075572.db2.gz CLGWWQQILOTFHL-UHFFFAOYSA-N 1 2 215.322 1.777 20 0 BDADLO CC(C)c1nsc(C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000929358831 646094335 /nfs/dbraw/zinc/09/43/35/646094335.db2.gz MBEVKDPCLMBETM-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)c1nsc(C[N@H+]2CCC[C@@H]2CO)n1 ZINC000929358831 646094339 /nfs/dbraw/zinc/09/43/39/646094339.db2.gz MBEVKDPCLMBETM-SECBINFHSA-N 1 2 241.360 1.618 20 0 BDADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)CO ZINC000929470795 646130182 /nfs/dbraw/zinc/13/01/82/646130182.db2.gz ZMKPASXQKLTSAP-SECBINFHSA-N 1 2 245.269 1.140 20 0 BDADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)CO ZINC000929470795 646130188 /nfs/dbraw/zinc/13/01/88/646130188.db2.gz ZMKPASXQKLTSAP-SECBINFHSA-N 1 2 245.269 1.140 20 0 BDADLO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1C ZINC000929487237 646142905 /nfs/dbraw/zinc/14/29/05/646142905.db2.gz KLZDGRWBJXSRQE-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1C ZINC000929487237 646142909 /nfs/dbraw/zinc/14/29/09/646142909.db2.gz KLZDGRWBJXSRQE-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO CC[N@H+](CCc1cccc(F)c1)CC(=O)OC ZINC000929505766 646156360 /nfs/dbraw/zinc/15/63/60/646156360.db2.gz RKOUGPXFBYOQRM-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO CC[N@@H+](CCc1cccc(F)c1)CC(=O)OC ZINC000929505766 646156364 /nfs/dbraw/zinc/15/63/64/646156364.db2.gz RKOUGPXFBYOQRM-UHFFFAOYSA-N 1 2 239.290 1.863 20 0 BDADLO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ncco1 ZINC000925278701 646229131 /nfs/dbraw/zinc/22/91/31/646229131.db2.gz ZVHJOADSULFMDP-IUCAKERBSA-N 1 2 246.332 1.148 20 0 BDADLO C[N@H+](CCc1ccns1)Cc1ccon1 ZINC000929696355 646252341 /nfs/dbraw/zinc/25/23/41/646252341.db2.gz LFTSKXFVIUKKFK-UHFFFAOYSA-N 1 2 223.301 1.806 20 0 BDADLO C[N@@H+](CCc1ccns1)Cc1ccon1 ZINC000929696355 646252347 /nfs/dbraw/zinc/25/23/47/646252347.db2.gz LFTSKXFVIUKKFK-UHFFFAOYSA-N 1 2 223.301 1.806 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759537 646291671 /nfs/dbraw/zinc/29/16/71/646291671.db2.gz PCSWMMGWMPGXGC-YFKTTZPYSA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759537 646291679 /nfs/dbraw/zinc/29/16/79/646291679.db2.gz PCSWMMGWMPGXGC-YFKTTZPYSA-N 1 2 241.331 1.437 20 0 BDADLO CCc1onc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759502 646292086 /nfs/dbraw/zinc/29/20/86/646292086.db2.gz NTUXBZDIBJCJAC-PHIMTYICSA-N 1 2 236.315 1.909 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000929759502 646292092 /nfs/dbraw/zinc/29/20/92/646292092.db2.gz NTUXBZDIBJCJAC-PHIMTYICSA-N 1 2 236.315 1.909 20 0 BDADLO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(OC)C1=O ZINC000929824448 646341829 /nfs/dbraw/zinc/34/18/29/646341829.db2.gz KFSOVLNJIXHCNO-GFCCVEGCSA-N 1 2 249.314 1.066 20 0 BDADLO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(OC)C1=O ZINC000929824448 646341835 /nfs/dbraw/zinc/34/18/35/646341835.db2.gz KFSOVLNJIXHCNO-GFCCVEGCSA-N 1 2 249.314 1.066 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1cn(C)cn1 ZINC000925592462 646348133 /nfs/dbraw/zinc/34/81/33/646348133.db2.gz IAZHUTSYGCSVGX-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1F)c1cnnn1C ZINC000925597050 646351508 /nfs/dbraw/zinc/35/15/08/646351508.db2.gz GAMQVFXPNDJSHT-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c(C)nn1 ZINC000929842843 646356093 /nfs/dbraw/zinc/35/60/93/646356093.db2.gz DMQQSLBNUZCABT-NEPJUHHUSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c(C)nn1 ZINC000929842843 646356100 /nfs/dbraw/zinc/35/61/00/646356100.db2.gz DMQQSLBNUZCABT-NEPJUHHUSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000925644987 646386237 /nfs/dbraw/zinc/38/62/37/646386237.db2.gz NGBYYPLPOIFPHM-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000930012921 646394827 /nfs/dbraw/zinc/39/48/27/646394827.db2.gz FGMJNPOLZRTFAM-GXSJLCMTSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000930012921 646394830 /nfs/dbraw/zinc/39/48/30/646394830.db2.gz FGMJNPOLZRTFAM-GXSJLCMTSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@H+](C)Cc1cn[nH]c1 ZINC000930012923 646394914 /nfs/dbraw/zinc/39/49/14/646394914.db2.gz FGMJNPOLZRTFAM-MWLCHTKSSA-N 1 2 239.319 1.429 20 0 BDADLO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+](C)Cc1cn[nH]c1 ZINC000930012923 646394922 /nfs/dbraw/zinc/39/49/22/646394922.db2.gz FGMJNPOLZRTFAM-MWLCHTKSSA-N 1 2 239.319 1.429 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nncs1 ZINC000930058292 646414110 /nfs/dbraw/zinc/41/41/10/646414110.db2.gz MPGHHINWJBCRLO-QMMMGPOBSA-N 1 2 241.316 1.066 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nncs1 ZINC000930058292 646414113 /nfs/dbraw/zinc/41/41/13/646414113.db2.gz MPGHHINWJBCRLO-QMMMGPOBSA-N 1 2 241.316 1.066 20 0 BDADLO c1ccc(N[C@H]2CCOC23CCOCC3)[nH+]c1 ZINC000925718826 646442812 /nfs/dbraw/zinc/44/28/12/646442812.db2.gz NAFUOVDUSQCGMC-NSHDSACASA-N 1 2 234.299 1.832 20 0 BDADLO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1c[nH+]ccc1N ZINC000925737369 646459954 /nfs/dbraw/zinc/45/99/54/646459954.db2.gz NKLBITFVIHEWQO-VIFPVBQESA-N 1 2 222.336 1.272 20 0 BDADLO COC[C@@](C)([NH2+]CC1CC(C)C1)C(=O)OC ZINC000930156083 646465598 /nfs/dbraw/zinc/46/55/98/646465598.db2.gz UBBLHLGTHRIEQZ-RTYFJBAXSA-N 1 2 229.320 1.200 20 0 BDADLO COC[C@H]([NH2+][C@H](C)c1ncco1)[C@@H]1CCCO1 ZINC000926319998 646616403 /nfs/dbraw/zinc/61/64/03/646616403.db2.gz JNJPDSIGVOJVPD-VWYCJHECSA-N 1 2 240.303 1.519 20 0 BDADLO FC(F)C1([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000926364233 646626444 /nfs/dbraw/zinc/62/64/44/646626444.db2.gz DUGMZRWVEAUIRF-BDAKNGLRSA-N 1 2 217.259 1.941 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000558689811 646632036 /nfs/dbraw/zinc/63/20/36/646632036.db2.gz QTXOKPSXYJNHON-DIYOJNKTSA-N 1 2 229.287 1.574 20 0 BDADLO CC(C)(C)c1coc(C[NH2+]C/C=C/CO)n1 ZINC000724387141 711577972 /nfs/dbraw/zinc/57/79/72/711577972.db2.gz HESSXJHZDXOOIL-SNAWJCMRSA-N 1 2 224.304 1.610 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[C@H]([NH3+])C(F)F ZINC000724751239 711610742 /nfs/dbraw/zinc/61/07/42/711610742.db2.gz JIENOWDQDISUDW-HLTSFMKQSA-N 1 2 234.290 1.758 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724753739 711610834 /nfs/dbraw/zinc/61/08/34/711610834.db2.gz YGNQVDOVBLPAFC-HLTSFMKQSA-N 1 2 234.290 1.664 20 0 BDADLO CCC(CC)c1noc([C@@H]([NH3+])COC)n1 ZINC000395226071 711693141 /nfs/dbraw/zinc/69/31/41/711693141.db2.gz PRFFCBBDUSOZOL-QMMMGPOBSA-N 1 2 213.281 1.619 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cc(C)co2)C[C@H](C)O1 ZINC000894531912 711771581 /nfs/dbraw/zinc/77/15/81/711771581.db2.gz BGKYHTXALWVGBJ-WCQYABFASA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cc(C)co2)C[C@H](C)O1 ZINC000894531912 711771582 /nfs/dbraw/zinc/77/15/82/711771582.db2.gz BGKYHTXALWVGBJ-WCQYABFASA-N 1 2 239.315 1.824 20 0 BDADLO Cn1nc(C[N@@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC000706169608 712141664 /nfs/dbraw/zinc/14/16/64/712141664.db2.gz ZCMXDHSPCYKEOD-SNVBAGLBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1nc(C[N@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC000706169608 712141665 /nfs/dbraw/zinc/14/16/65/712141665.db2.gz ZCMXDHSPCYKEOD-SNVBAGLBSA-N 1 2 229.711 1.030 20 0 BDADLO CNc1cc(N2CC[C@H](C(F)F)C2)nc[nH+]1 ZINC000706405964 712145220 /nfs/dbraw/zinc/14/52/20/712145220.db2.gz XXEOPVPAHMATDU-ZETCQYMHSA-N 1 2 228.246 1.610 20 0 BDADLO CNc1cc(N2CC[C@H](C(F)F)C2)[nH+]cn1 ZINC000706405964 712145221 /nfs/dbraw/zinc/14/52/21/712145221.db2.gz XXEOPVPAHMATDU-ZETCQYMHSA-N 1 2 228.246 1.610 20 0 BDADLO CCC[C@@H]1C[N@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000709046347 712206739 /nfs/dbraw/zinc/20/67/39/712206739.db2.gz VXHXVZDJGGZTDA-HUMZTAOYSA-N 1 2 241.331 1.607 20 0 BDADLO CCC[C@@H]1C[N@@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000709046347 712206741 /nfs/dbraw/zinc/20/67/41/712206741.db2.gz VXHXVZDJGGZTDA-HUMZTAOYSA-N 1 2 241.331 1.607 20 0 BDADLO CNc1cc(N2C[C@@H]3CSC[C@@H]3C2)nc[nH+]1 ZINC000711546061 712310574 /nfs/dbraw/zinc/31/05/74/712310574.db2.gz VFIPPCIUMVHEAN-DTORHVGOSA-N 1 2 236.344 1.318 20 0 BDADLO CNc1cc(N2C[C@@H]3CSC[C@@H]3C2)[nH+]cn1 ZINC000711546061 712310576 /nfs/dbraw/zinc/31/05/76/712310576.db2.gz VFIPPCIUMVHEAN-DTORHVGOSA-N 1 2 236.344 1.318 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(F)nc2)no1 ZINC000390480000 712419048 /nfs/dbraw/zinc/41/90/48/712419048.db2.gz MJPGOWNCQPLCCR-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccns1)c1cn(C)nn1 ZINC000715932079 712543657 /nfs/dbraw/zinc/54/36/57/712543657.db2.gz BZCMZDGHQQSOGH-HTQZYQBOSA-N 1 2 237.332 1.683 20 0 BDADLO C[C@@H]([NH2+]Cc1ccoc1)c1cn(C)nn1 ZINC000715937970 712544169 /nfs/dbraw/zinc/54/41/69/712544169.db2.gz WQXAWSJWWSCKIC-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccns1 ZINC000716001237 712552253 /nfs/dbraw/zinc/55/22/53/712552253.db2.gz WQEJMPRZACOUPV-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000384897544 712704367 /nfs/dbraw/zinc/70/43/67/712704367.db2.gz MTIJRJNQBNARAI-ZJUUUORDSA-N 1 2 245.363 1.856 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(C)nc1C ZINC001037987520 712896654 /nfs/dbraw/zinc/89/66/54/712896654.db2.gz PLOPPUIAWVLZPN-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1oc(C)nc1C ZINC001037987520 712896656 /nfs/dbraw/zinc/89/66/56/712896656.db2.gz PLOPPUIAWVLZPN-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccncc1 ZINC000381194597 710607981 /nfs/dbraw/zinc/60/79/81/710607981.db2.gz ZQQABZZIRUWZJV-VIFPVBQESA-N 1 2 217.276 1.061 20 0 BDADLO CNc1cc(NC[C@H](OC)C(C)C)[nH+]cn1 ZINC000381262621 710614988 /nfs/dbraw/zinc/61/49/88/710614988.db2.gz FGUJLAPRACADGP-VIFPVBQESA-N 1 2 224.308 1.023 20 0 BDADLO CC[C@H](C)[C@H](CNc1cc(NC)nc[nH+]1)OC ZINC000381303260 710618514 /nfs/dbraw/zinc/61/85/14/710618514.db2.gz RGWVOLFLRQZPDN-UWVGGRQHSA-N 1 2 238.335 1.413 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000381448731 710637336 /nfs/dbraw/zinc/63/73/36/710637336.db2.gz GRGNUBSKRADQJB-PSASIEDQSA-N 1 2 229.320 1.077 20 0 BDADLO CN1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)co2)C1 ZINC000724389152 710739524 /nfs/dbraw/zinc/73/95/24/710739524.db2.gz WDBPWPGSGFDDOI-JTQLQIEISA-N 1 2 237.347 1.766 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724278963 710738165 /nfs/dbraw/zinc/73/81/65/710738165.db2.gz LLJNSLQUHZNHRY-QCLAVDOMSA-N 1 2 215.293 1.094 20 0 BDADLO CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001067347623 710765143 /nfs/dbraw/zinc/76/51/43/710765143.db2.gz PDDUCOSWQMJHQM-SKDRFNHKSA-N 1 2 248.330 1.136 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cccnc2C)C1 ZINC001043699262 710810583 /nfs/dbraw/zinc/81/05/83/710810583.db2.gz JPAZAFJNPSPHQF-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)C2(F)CCCCC2)C1 ZINC001044139138 710820356 /nfs/dbraw/zinc/82/03/56/710820356.db2.gz WIAMXYFRYGNLIQ-UHFFFAOYSA-N 1 2 242.338 1.821 20 0 BDADLO CC(C)OCc1noc(COc2cc[nH+]cc2)n1 ZINC000902732732 710886632 /nfs/dbraw/zinc/88/66/32/710886632.db2.gz BWJZLXBIZMBLLM-UHFFFAOYSA-N 1 2 249.270 1.969 20 0 BDADLO COC1(C)C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000382607962 710973449 /nfs/dbraw/zinc/97/34/49/710973449.db2.gz ZLKCMUPJMUHPAO-ZDUSSCGKSA-N 1 2 246.310 1.312 20 0 BDADLO CC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068086423 710996540 /nfs/dbraw/zinc/99/65/40/710996540.db2.gz OXRGAYKBYGZVIS-NSHDSACASA-N 1 2 248.330 1.136 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001068747598 711024818 /nfs/dbraw/zinc/02/48/18/711024818.db2.gz QKXGCLHXLNVEBP-KOLCDFICSA-N 1 2 248.330 1.596 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388226023 711054244 /nfs/dbraw/zinc/05/42/44/711054244.db2.gz RNLJGAXJWCBYRW-SNVBAGLBSA-N 1 2 229.320 1.032 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388226023 711054245 /nfs/dbraw/zinc/05/42/45/711054245.db2.gz RNLJGAXJWCBYRW-SNVBAGLBSA-N 1 2 229.320 1.032 20 0 BDADLO CC1(C)C[N@H+](Cc2ccc(Cl)nn2)C[C@@H]1O ZINC000388526207 711062853 /nfs/dbraw/zinc/06/28/53/711062853.db2.gz RAIRABXGSGCGIK-VIFPVBQESA-N 1 2 241.722 1.333 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccc(Cl)nn2)C[C@@H]1O ZINC000388526207 711062856 /nfs/dbraw/zinc/06/28/56/711062856.db2.gz RAIRABXGSGCGIK-VIFPVBQESA-N 1 2 241.722 1.333 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncc[nH]2)[nH]n1 ZINC000389567767 711080068 /nfs/dbraw/zinc/08/00/68/711080068.db2.gz AMRGMRGMCIQTGK-MRVPVSSYSA-N 1 2 205.265 1.292 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@](C)(CO)C(C)C ZINC000390419727 711116265 /nfs/dbraw/zinc/11/62/65/711116265.db2.gz JCOWKMYVWRRBRT-CMPLNLGQSA-N 1 2 231.336 1.325 20 0 BDADLO CCCOC(=O)[C@@H](C)[NH2+][C@@](C)(CO)C(C)C ZINC000390419729 711116402 /nfs/dbraw/zinc/11/64/02/711116402.db2.gz JCOWKMYVWRRBRT-PWSUYJOCSA-N 1 2 231.336 1.325 20 0 BDADLO C[C@@H](CSC(C)(C)C)[NH2+]Cc1nnn(C)n1 ZINC000390445514 711118072 /nfs/dbraw/zinc/11/80/72/711118072.db2.gz XJHGNVHGHBZKFU-QMMMGPOBSA-N 1 2 243.380 1.220 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H](COC)CC(C)C ZINC000390436322 711118090 /nfs/dbraw/zinc/11/80/90/711118090.db2.gz SIHIAFKYNAIAKM-MNOVXSKESA-N 1 2 231.336 1.589 20 0 BDADLO CNc1cc(N[C@@H]2CSC[C@@H]2C)nc[nH+]1 ZINC000397893716 711395858 /nfs/dbraw/zinc/39/58/58/711395858.db2.gz RBNNRGBAACCCJG-JGVFFNPUSA-N 1 2 224.333 1.682 20 0 BDADLO CNc1cc(N[C@@H]2CSC[C@@H]2C)[nH+]cn1 ZINC000397893716 711395865 /nfs/dbraw/zinc/39/58/65/711395865.db2.gz RBNNRGBAACCCJG-JGVFFNPUSA-N 1 2 224.333 1.682 20 0 BDADLO COc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000724767741 710745189 /nfs/dbraw/zinc/74/51/89/710745189.db2.gz WVPLTEYBIZTVTK-VIFPVBQESA-N 1 2 244.241 1.616 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C(C)(C)O ZINC000393988558 710836886 /nfs/dbraw/zinc/83/68/86/710836886.db2.gz MDHUBGJSPUSJFA-NXEZZACHSA-N 1 2 245.363 1.856 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)OC ZINC000383083341 710951066 /nfs/dbraw/zinc/95/10/66/710951066.db2.gz URLGAJFUHMHZTL-GARJFASQSA-N 1 2 243.347 1.731 20 0 BDADLO C[N@H+](CCCCO)Cc1nnc(C(C)(C)C)o1 ZINC000385024289 711003232 /nfs/dbraw/zinc/00/32/32/711003232.db2.gz XZGYCESQDJPPSG-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO C[N@@H+](CCCCO)Cc1nnc(C(C)(C)C)o1 ZINC000385024289 711003234 /nfs/dbraw/zinc/00/32/34/711003234.db2.gz XZGYCESQDJPPSG-UHFFFAOYSA-N 1 2 241.335 1.571 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)[nH]1 ZINC000392414183 711147406 /nfs/dbraw/zinc/14/74/06/711147406.db2.gz GPKLVHXQPKBGBX-ZETCQYMHSA-N 1 2 247.327 1.897 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cncs2)[nH]1 ZINC000392412787 711147575 /nfs/dbraw/zinc/14/75/75/711147575.db2.gz DIBBYPMGPGLGQP-NKWVEPMBSA-N 1 2 237.332 1.981 20 0 BDADLO CCN(CC)C(=O)C[NH2+]Cc1nc(C)cs1 ZINC000038091617 711481715 /nfs/dbraw/zinc/48/17/15/711481715.db2.gz FANVIPPXPJORGO-UHFFFAOYSA-N 1 2 241.360 1.410 20 0 BDADLO CCC(=O)CCC[N@@H+]1CCOC[C@@H]1COC ZINC000933331059 711520102 /nfs/dbraw/zinc/52/01/02/711520102.db2.gz LDHWZCXDFBXJPJ-NSHDSACASA-N 1 2 229.320 1.093 20 0 BDADLO CCC(=O)CCC[N@H+]1CCOC[C@@H]1COC ZINC000933331059 711520103 /nfs/dbraw/zinc/52/01/03/711520103.db2.gz LDHWZCXDFBXJPJ-NSHDSACASA-N 1 2 229.320 1.093 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](OC)C2(C)C)nc[nH+]1 ZINC000234525938 711558866 /nfs/dbraw/zinc/55/88/66/711558866.db2.gz WOHFXSVCNIIIJM-RKDXNWHRSA-N 1 2 236.319 1.744 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](OC)C2(C)C)[nH+]cn1 ZINC000234525938 711558868 /nfs/dbraw/zinc/55/88/68/711558868.db2.gz WOHFXSVCNIIIJM-RKDXNWHRSA-N 1 2 236.319 1.744 20 0 BDADLO OC1C[C@H]2CC[C@@H](C1)N2c1nccn2c[nH+]cc12 ZINC000891938126 711558887 /nfs/dbraw/zinc/55/88/87/711558887.db2.gz YTVWIJFMEFNINS-ZACCUICWSA-N 1 2 244.298 1.221 20 0 BDADLO C=CCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051754993 711591570 /nfs/dbraw/zinc/59/15/70/711591570.db2.gz JYJQMSXQLWPVTH-UHFFFAOYSA-N 1 2 249.314 1.692 20 0 BDADLO FC(F)c1cc(NCCn2cc[nH+]c2)ncn1 ZINC000724645523 711604212 /nfs/dbraw/zinc/60/42/12/711604212.db2.gz VLDKRIDCHYZTDF-UHFFFAOYSA-N 1 2 239.229 1.723 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1cccc(F)c1)C(F)F ZINC000724692417 711609131 /nfs/dbraw/zinc/60/91/31/711609131.db2.gz GFIMVSRTHIPQRD-QMMMGPOBSA-N 1 2 232.205 1.747 20 0 BDADLO [NH3+][C@H](CC(=O)N1CCc2ccccc21)C(F)F ZINC000724760111 711610555 /nfs/dbraw/zinc/61/05/55/711610555.db2.gz VDKXTRILBLNKMV-SECBINFHSA-N 1 2 240.253 1.558 20 0 BDADLO COc1ccc[nH+]c1NCc1ccc(C)nn1 ZINC000396649536 711703081 /nfs/dbraw/zinc/70/30/81/711703081.db2.gz KZMPPUCFVYYJPD-UHFFFAOYSA-N 1 2 230.271 1.801 20 0 BDADLO Cn1c[nH+]c(CCNc2cccc(F)n2)c1 ZINC000313345299 711718750 /nfs/dbraw/zinc/71/87/50/711718750.db2.gz DZGIQIOJVKNCRB-UHFFFAOYSA-N 1 2 220.251 1.609 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@H](C3CC3)O2)nc(N)[nH+]1 ZINC000722327370 711738006 /nfs/dbraw/zinc/73/80/06/711738006.db2.gz ADTWAXMMETUTNQ-VHSXEESVSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CC[C@H](C3CC3)O2)[nH+]1 ZINC000722327370 711738007 /nfs/dbraw/zinc/73/80/07/711738007.db2.gz ADTWAXMMETUTNQ-VHSXEESVSA-N 1 2 249.318 1.132 20 0 BDADLO CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059127333 711768397 /nfs/dbraw/zinc/76/83/97/711768397.db2.gz IKYCQNBDBVZZKF-MGCOHNPYSA-N 1 2 234.303 1.254 20 0 BDADLO CNc1cc(N2C[C@H](O)CC(C)(C)C2)nc[nH+]1 ZINC000895030027 711774462 /nfs/dbraw/zinc/77/44/62/711774462.db2.gz DUDKBUPJXOORQM-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2C[C@H](O)CC(C)(C)C2)[nH+]cn1 ZINC000895030027 711774463 /nfs/dbraw/zinc/77/44/63/711774463.db2.gz DUDKBUPJXOORQM-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO COC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000053173415 711793646 /nfs/dbraw/zinc/79/36/46/711793646.db2.gz BHURIQWYJKNKRO-UWVGGRQHSA-N 1 2 217.309 1.199 20 0 BDADLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](O)C1 ZINC000191211598 711796330 /nfs/dbraw/zinc/79/63/30/711796330.db2.gz BCCHVDFCEOFMJP-SSDOTTSWSA-N 1 2 245.681 1.751 20 0 BDADLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](O)C1 ZINC000191211598 711796332 /nfs/dbraw/zinc/79/63/32/711796332.db2.gz BCCHVDFCEOFMJP-SSDOTTSWSA-N 1 2 245.681 1.751 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N1CCCc2ccccc21 ZINC000074673448 711796781 /nfs/dbraw/zinc/79/67/81/711796781.db2.gz JRJPJMHMZRJHEL-UHFFFAOYSA-N 1 2 241.294 1.932 20 0 BDADLO CC(=O)N1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001060190571 711813453 /nfs/dbraw/zinc/81/34/53/711813453.db2.gz JJSIDRCFHXARJH-GFCCVEGCSA-N 1 2 248.330 1.598 20 0 BDADLO Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)c(C)c[nH+]1 ZINC000907088462 711815105 /nfs/dbraw/zinc/81/51/05/711815105.db2.gz QQENHAZKKLXRRR-TVYUQYBPSA-N 1 2 244.294 1.284 20 0 BDADLO CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000138977252 711837863 /nfs/dbraw/zinc/83/78/63/711837863.db2.gz TZKCWKZLLMJPNV-UHFFFAOYSA-N 1 2 209.293 1.649 20 0 BDADLO CC/C(C)=C\C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000835266940 711866705 /nfs/dbraw/zinc/86/67/05/711866705.db2.gz ODVSPTILWQVLAH-UCQJPZFISA-N 1 2 241.331 1.607 20 0 BDADLO CCOC1CC2(C[C@@H]2[NH2+][C@H](CC)C(=O)OC)C1 ZINC000721276907 711883067 /nfs/dbraw/zinc/88/30/67/711883067.db2.gz YKMUSPKOFRBPMN-ZUXSNHBTSA-N 1 2 241.331 1.485 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1scnc1Cl ZINC000721920966 711937302 /nfs/dbraw/zinc/93/73/02/711937302.db2.gz HKLWMQTWZOILST-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1scnc1Cl ZINC000721920966 711937304 /nfs/dbraw/zinc/93/73/04/711937304.db2.gz HKLWMQTWZOILST-LURJTMIESA-N 1 2 220.725 1.609 20 0 BDADLO Cc1nc(NCc2cncn2C)c(C)c(C)[nH+]1 ZINC000357593771 711949986 /nfs/dbraw/zinc/94/99/86/711949986.db2.gz ITJBNWFEMCYGHT-UHFFFAOYSA-N 1 2 231.303 1.169 20 0 BDADLO CN(C(=O)c1ccoc1)[C@H]1CC[N@H+](CCF)C1 ZINC001032909690 711966834 /nfs/dbraw/zinc/96/68/34/711966834.db2.gz NBWOEAGEDDHCGV-NSHDSACASA-N 1 2 240.278 1.395 20 0 BDADLO CN(C(=O)c1ccoc1)[C@H]1CC[N@@H+](CCF)C1 ZINC001032909690 711966835 /nfs/dbraw/zinc/96/68/35/711966835.db2.gz NBWOEAGEDDHCGV-NSHDSACASA-N 1 2 240.278 1.395 20 0 BDADLO CNc1cc(N2CCO[C@@H](CCF)C2)nc[nH+]1 ZINC000700573769 711997076 /nfs/dbraw/zinc/99/70/76/711997076.db2.gz CYBNDRBLIVYESI-VIFPVBQESA-N 1 2 240.282 1.083 20 0 BDADLO CNc1cc(N2CCO[C@@H](CCF)C2)[nH+]cn1 ZINC000700573769 711997077 /nfs/dbraw/zinc/99/70/77/711997077.db2.gz CYBNDRBLIVYESI-VIFPVBQESA-N 1 2 240.282 1.083 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C(F)F ZINC000700998238 712011109 /nfs/dbraw/zinc/01/11/09/712011109.db2.gz NYOFQKKJWFNYPT-XVYDVKMFSA-N 1 2 205.248 1.797 20 0 BDADLO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C(F)F ZINC000700998234 712011202 /nfs/dbraw/zinc/01/12/02/712011202.db2.gz NYOFQKKJWFNYPT-CNUIFLNQSA-N 1 2 205.248 1.797 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@](C)(O)C(F)F ZINC000704731873 712114072 /nfs/dbraw/zinc/11/40/72/712114072.db2.gz BQXPHISAWLNMSJ-ZETCQYMHSA-N 1 2 217.206 1.637 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@](C)(O)C(F)F ZINC000704731872 712114235 /nfs/dbraw/zinc/11/42/35/712114235.db2.gz BQXPHISAWLNMSJ-SSDOTTSWSA-N 1 2 217.206 1.637 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166957 712141596 /nfs/dbraw/zinc/14/15/96/712141596.db2.gz MGSDNIKDOIHGTN-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166957 712141597 /nfs/dbraw/zinc/14/15/97/712141597.db2.gz MGSDNIKDOIHGTN-DTWKUNHWSA-N 1 2 243.738 1.276 20 0 BDADLO Nc1ccc(CNC(=O)[C@H]2CCCC23CC3)c[nH+]1 ZINC000707090185 712165097 /nfs/dbraw/zinc/16/50/97/712165097.db2.gz WFQORFIDFNHEOE-LLVKDONJSA-N 1 2 245.326 1.860 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)[C@H]1CO ZINC000707137683 712165610 /nfs/dbraw/zinc/16/56/10/712165610.db2.gz OGSFZGUFOKXQEO-WPRPVWTQSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)[C@H]1CO ZINC000707137683 712165613 /nfs/dbraw/zinc/16/56/13/712165613.db2.gz OGSFZGUFOKXQEO-WPRPVWTQSA-N 1 2 243.738 1.276 20 0 BDADLO CCC1(O)CCN(c2cc(NC)[nH+]cn2)CC1 ZINC000707439233 712170244 /nfs/dbraw/zinc/17/02/44/712170244.db2.gz VBTMPVXCUCGFFG-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CCC1(O)CCN(c2cc(NC)nc[nH+]2)CC1 ZINC000707439233 712170247 /nfs/dbraw/zinc/17/02/47/712170247.db2.gz VBTMPVXCUCGFFG-UHFFFAOYSA-N 1 2 236.319 1.260 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687478 712254292 /nfs/dbraw/zinc/25/42/92/712254292.db2.gz BNYIAMXGLHIQOC-SECBINFHSA-N 1 2 240.328 1.496 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687478 712254293 /nfs/dbraw/zinc/25/42/93/712254293.db2.gz BNYIAMXGLHIQOC-SECBINFHSA-N 1 2 240.328 1.496 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687956 712254360 /nfs/dbraw/zinc/25/43/60/712254360.db2.gz FTFSKQCFYVIIKY-RKDXNWHRSA-N 1 2 240.328 1.494 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710687956 712254361 /nfs/dbraw/zinc/25/43/61/712254361.db2.gz FTFSKQCFYVIIKY-RKDXNWHRSA-N 1 2 240.328 1.494 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000711438713 712299751 /nfs/dbraw/zinc/29/97/51/712299751.db2.gz KFZRENBKSTWZPU-UWVGGRQHSA-N 1 2 237.303 1.069 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@H](CF)C1 ZINC000711509081 712308054 /nfs/dbraw/zinc/30/80/54/712308054.db2.gz PFPKVQVQGJMKMO-MRVPVSSYSA-N 1 2 240.282 1.253 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@H](CF)C1 ZINC000711509081 712308056 /nfs/dbraw/zinc/30/80/56/712308056.db2.gz PFPKVQVQGJMKMO-MRVPVSSYSA-N 1 2 240.282 1.253 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC000379096138 712369711 /nfs/dbraw/zinc/36/97/11/712369711.db2.gz CDSLHVXKFAKJOJ-UHFFFAOYSA-N 1 2 242.706 1.757 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712797722 712449434 /nfs/dbraw/zinc/44/94/34/712449434.db2.gz UFTALAKSXHEVCC-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712797722 712449433 /nfs/dbraw/zinc/44/94/33/712449433.db2.gz UFTALAKSXHEVCC-JGVFFNPUSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712794294 712449454 /nfs/dbraw/zinc/44/94/54/712449454.db2.gz FNVMRFULVFCPFM-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712794294 712449455 /nfs/dbraw/zinc/44/94/55/712449455.db2.gz FNVMRFULVFCPFM-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1ncccc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715833677 712534130 /nfs/dbraw/zinc/53/41/30/712534130.db2.gz DEGIDTSUYLQJRX-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1cn(C)nn1 ZINC000715854511 712536447 /nfs/dbraw/zinc/53/64/47/712536447.db2.gz MLVVZIWYEGDYBM-UWVGGRQHSA-N 1 2 231.303 1.622 20 0 BDADLO Cc1ccncc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715855215 712536639 /nfs/dbraw/zinc/53/66/39/712536639.db2.gz NKJSAPAVFQZDOY-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1cn(C)nn1 ZINC000715905291 712541637 /nfs/dbraw/zinc/54/16/37/712541637.db2.gz BNSINLRUXITKTI-VIFPVBQESA-N 1 2 232.287 1.372 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H]1CCC2(CCC2)CO1 ZINC000716309244 712554271 /nfs/dbraw/zinc/55/42/71/712554271.db2.gz IUCWQJVKWXBLKQ-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H]1CCC2(CCC2)CO1 ZINC000716309244 712554273 /nfs/dbraw/zinc/55/42/73/712554273.db2.gz IUCWQJVKWXBLKQ-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C)cn2)[nH]n1 ZINC000716470488 712563276 /nfs/dbraw/zinc/56/32/76/712563276.db2.gz MCEWMYYHEMDVIT-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO Cn1cccc1C(=O)C[N@H+](C)CCCF ZINC000716639770 712568609 /nfs/dbraw/zinc/56/86/09/712568609.db2.gz KOZUPLADAOGADP-UHFFFAOYSA-N 1 2 212.268 1.499 20 0 BDADLO Cn1cccc1C(=O)C[N@@H+](C)CCCF ZINC000716639770 712568610 /nfs/dbraw/zinc/56/86/10/712568610.db2.gz KOZUPLADAOGADP-UHFFFAOYSA-N 1 2 212.268 1.499 20 0 BDADLO OC1(CC[N@@H+]2CCC[C@H]2c2nnc[nH]2)CCC1 ZINC000931142051 712713767 /nfs/dbraw/zinc/71/37/67/712713767.db2.gz JUAOHPNDTYKJHP-JTQLQIEISA-N 1 2 236.319 1.247 20 0 BDADLO OC1(CC[N@H+]2CCC[C@H]2c2nnc[nH]2)CCC1 ZINC000931142051 712713769 /nfs/dbraw/zinc/71/37/69/712713769.db2.gz JUAOHPNDTYKJHP-JTQLQIEISA-N 1 2 236.319 1.247 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000380195554 712713914 /nfs/dbraw/zinc/71/39/14/712713914.db2.gz ZHQFMTBYFBACLY-KOLCDFICSA-N 1 2 237.303 1.149 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCn3cccc3C2)nn1 ZINC000932523545 712717856 /nfs/dbraw/zinc/71/78/56/712717856.db2.gz CLSZNZWOGFMVRD-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCn3cccc3C2)nn1 ZINC000932523545 712717859 /nfs/dbraw/zinc/71/78/59/712717859.db2.gz CLSZNZWOGFMVRD-UHFFFAOYSA-N 1 2 245.330 1.676 20 0 BDADLO CO[C@]1(CNc2cc[nH+]c(C)n2)CCSC1 ZINC000719278318 712802970 /nfs/dbraw/zinc/80/29/70/712802970.db2.gz ZYEVVUDKFXQUMG-NSHDSACASA-N 1 2 239.344 1.719 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(CO)c2)no1 ZINC000720350725 712832276 /nfs/dbraw/zinc/83/22/76/712832276.db2.gz KHRRKQNGCQLIPX-UHFFFAOYSA-N 1 2 232.283 1.765 20 0 BDADLO CNc1cc(N2CCO[C@H](C)CC2)nc[nH+]1 ZINC000720463491 712845194 /nfs/dbraw/zinc/84/51/94/712845194.db2.gz ZQQRDPUWZKFEIC-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO CNc1cc(N2CCO[C@H](C)CC2)[nH+]cn1 ZINC000720463491 712845197 /nfs/dbraw/zinc/84/51/97/712845197.db2.gz ZQQRDPUWZKFEIC-SECBINFHSA-N 1 2 222.292 1.134 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC000720596820 712856774 /nfs/dbraw/zinc/85/67/74/712856774.db2.gz NUGNWJACPBMYQM-KWQFWETISA-N 1 2 237.303 1.149 20 0 BDADLO C[C@@H]1Cc2cc(C[NH+]3CC(C)(O)C3)ccc2O1 ZINC000720725496 712862723 /nfs/dbraw/zinc/86/27/23/712862723.db2.gz DYEQIEVKYWIDBZ-SNVBAGLBSA-N 1 2 233.311 1.577 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)C(=O)OC ZINC000720844383 712869649 /nfs/dbraw/zinc/86/96/49/712869649.db2.gz ZCXBTMCMGWJIHY-NOOOWODRSA-N 1 2 241.331 1.485 20 0 BDADLO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccn1)C1CC1 ZINC001037981020 712895738 /nfs/dbraw/zinc/89/57/38/712895738.db2.gz PIIQSWAFXOKODF-CYBMUJFWSA-N 1 2 245.326 1.182 20 0 BDADLO O=C(NC[C@H]1CC[N@H+]1Cc1ccccn1)C1CC1 ZINC001037981020 712895741 /nfs/dbraw/zinc/89/57/41/712895741.db2.gz PIIQSWAFXOKODF-CYBMUJFWSA-N 1 2 245.326 1.182 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001172941808 975000391 /nfs/dbraw/zinc/00/03/91/975000391.db2.gz GYDDHPQJCQIMLT-AXFHLTTASA-N 1 2 249.301 1.646 20 0 BDADLO CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC001172941808 975000396 /nfs/dbraw/zinc/00/03/96/975000396.db2.gz GYDDHPQJCQIMLT-AXFHLTTASA-N 1 2 249.301 1.646 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(C)C ZINC000396827048 957288840 /nfs/dbraw/zinc/28/88/40/957288840.db2.gz CORYTFOEFIHCJB-ZJUUUORDSA-N 1 2 229.320 1.341 20 0 BDADLO O=C(CC[N@@H+]1CC[C@@H](F)C1)NOCC1CCC1 ZINC001167369082 957909068 /nfs/dbraw/zinc/90/90/68/957909068.db2.gz POWWPDHYAXOZDY-LLVKDONJSA-N 1 2 244.310 1.268 20 0 BDADLO CC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104456234 959259726 /nfs/dbraw/zinc/25/97/26/959259726.db2.gz QJEXJKXDYAOEJN-MRVPVSSYSA-N 1 2 222.292 1.064 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)[nH]n1 ZINC001203069941 960615237 /nfs/dbraw/zinc/61/52/37/960615237.db2.gz FXFUWGAAROOAFZ-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)[nH]n1 ZINC001203069941 960615250 /nfs/dbraw/zinc/61/52/50/960615250.db2.gz FXFUWGAAROOAFZ-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](O)CC2)n[nH]1 ZINC001203070541 960621411 /nfs/dbraw/zinc/62/14/11/960621411.db2.gz YKRKWAFAXZVUMR-NSHDSACASA-N 1 2 209.293 1.065 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)n[nH]1 ZINC001203070286 960624093 /nfs/dbraw/zinc/62/40/93/960624093.db2.gz NOWRJYPHZLXLTR-QWRGUYRKSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)n[nH]1 ZINC001203070286 960624107 /nfs/dbraw/zinc/62/41/07/960624107.db2.gz NOWRJYPHZLXLTR-QWRGUYRKSA-N 1 2 227.283 1.013 20 0 BDADLO C[C@@H]1C[N@H+](Cc2csnn2)CCC[C@@]1(C)O ZINC001140992813 960791371 /nfs/dbraw/zinc/79/13/71/960791371.db2.gz YWEBMTMHLACBQD-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2csnn2)CCC[C@@]1(C)O ZINC001140992813 960791393 /nfs/dbraw/zinc/79/13/93/960791393.db2.gz YWEBMTMHLACBQD-MWLCHTKSSA-N 1 2 241.360 1.521 20 0 BDADLO Cn1c[nH+]cc1CCCn1ccccc1=O ZINC000314097629 960888905 /nfs/dbraw/zinc/88/89/05/960888905.db2.gz YTTRNTJZDWMQRS-UHFFFAOYSA-N 1 2 217.272 1.215 20 0 BDADLO CC(C)OCC[NH+]1CC(NC(=O)C2(C)CC2)C1 ZINC001268310696 961580535 /nfs/dbraw/zinc/58/05/35/961580535.db2.gz ZCKSBIZAMGLCLQ-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@H](N)C2)ccn1 ZINC001206654742 963034565 /nfs/dbraw/zinc/03/45/65/963034565.db2.gz CSJVKDMLHARNEN-LLVKDONJSA-N 1 2 241.285 1.558 20 0 BDADLO CC=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157125570 963535513 /nfs/dbraw/zinc/53/55/13/963535513.db2.gz VIELXQBNQLCOTE-SNAWJCMRSA-N 1 2 207.277 1.725 20 0 BDADLO C/C=C/C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157125570 963535518 /nfs/dbraw/zinc/53/55/18/963535518.db2.gz VIELXQBNQLCOTE-SNAWJCMRSA-N 1 2 207.277 1.725 20 0 BDADLO C[C@@H]1C[C@@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112091 963751424 /nfs/dbraw/zinc/75/14/24/963751424.db2.gz BSADXNZPKSCFHR-ZJUUUORDSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@@H]1C[C@@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112091 963751432 /nfs/dbraw/zinc/75/14/32/963751432.db2.gz BSADXNZPKSCFHR-ZJUUUORDSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@@H]1C[C@@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001168112091 963751437 /nfs/dbraw/zinc/75/14/37/963751437.db2.gz BSADXNZPKSCFHR-ZJUUUORDSA-N 1 2 234.290 1.094 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCO[C@H](C)C1 ZINC001168112827 963755029 /nfs/dbraw/zinc/75/50/29/963755029.db2.gz DMLJRBUBWVCPNX-RCWTZXSCSA-N 1 2 245.294 1.139 20 0 BDADLO CS[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001159861789 964213038 /nfs/dbraw/zinc/21/30/38/964213038.db2.gz RYRKVOSTNJFASX-SNVBAGLBSA-N 1 2 239.344 1.306 20 0 BDADLO CC(F)(F)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000697641610 964382045 /nfs/dbraw/zinc/38/20/45/964382045.db2.gz XNHWJTMESFHQCJ-SNVBAGLBSA-N 1 2 215.243 1.965 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3cscn3)C2)C1 ZINC001137596193 964689435 /nfs/dbraw/zinc/68/94/35/964689435.db2.gz KXFREKGRKZCRPA-VIFPVBQESA-N 1 2 241.335 1.371 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3cscn3)C2)C1 ZINC001137596193 964689446 /nfs/dbraw/zinc/68/94/46/964689446.db2.gz KXFREKGRKZCRPA-VIFPVBQESA-N 1 2 241.335 1.371 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC=C(C)C)C[N@@H+]1C ZINC001224716399 964902314 /nfs/dbraw/zinc/90/23/14/964902314.db2.gz KRRPQFQPRPODOD-NEPJUHHUSA-N 1 2 241.331 1.605 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC=C(C)C)C[N@H+]1C ZINC001224716399 964902341 /nfs/dbraw/zinc/90/23/41/964902341.db2.gz KRRPQFQPRPODOD-NEPJUHHUSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccsc2)C1 ZINC001204039203 966863985 /nfs/dbraw/zinc/86/39/85/966863985.db2.gz REHYKNYXXGQFMY-UHFFFAOYSA-N 1 2 225.313 1.743 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)n1 ZINC001204069924 966878516 /nfs/dbraw/zinc/87/85/16/966878516.db2.gz FAFGQVMFWSXYSW-STQMWFEESA-N 1 2 217.316 1.278 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)n1 ZINC001204069924 966878522 /nfs/dbraw/zinc/87/85/22/966878522.db2.gz FAFGQVMFWSXYSW-STQMWFEESA-N 1 2 217.316 1.278 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cccnc2)CCC1=O ZINC001204072393 966879692 /nfs/dbraw/zinc/87/96/92/966879692.db2.gz BCJZIKULDGRZCF-NSHDSACASA-N 1 2 218.300 1.883 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cccnc2)CCC1=O ZINC001204072393 966879697 /nfs/dbraw/zinc/87/96/97/966879697.db2.gz BCJZIKULDGRZCF-NSHDSACASA-N 1 2 218.300 1.883 20 0 BDADLO COC(=O)[C@H](C(C)C)N(C)Cc1[nH]c[nH+]c1C ZINC001204590167 967080205 /nfs/dbraw/zinc/08/02/05/967080205.db2.gz CZCUTFFDTGFRLJ-NSHDSACASA-N 1 2 239.319 1.348 20 0 BDADLO Cc1cnccc1C[N@@H+](C)[C@H]1CCN(C)C1 ZINC001205857665 967856550 /nfs/dbraw/zinc/85/65/50/967856550.db2.gz LPUZEYUBUREEPB-ZDUSSCGKSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1cnccc1C[N@H+](C)[C@H]1CCN(C)C1 ZINC001205857665 967856552 /nfs/dbraw/zinc/85/65/52/967856552.db2.gz LPUZEYUBUREEPB-ZDUSSCGKSA-N 1 2 219.332 1.526 20 0 BDADLO Cn1ccc(C[N@@H+]2CCCC[C@@H](F)C2)n1 ZINC001206264805 968181872 /nfs/dbraw/zinc/18/18/72/968181872.db2.gz SVIHHOUDJDBLTB-SNVBAGLBSA-N 1 2 211.284 1.744 20 0 BDADLO Cn1ccc(C[N@H+]2CCCC[C@@H](F)C2)n1 ZINC001206264805 968181880 /nfs/dbraw/zinc/18/18/80/968181880.db2.gz SVIHHOUDJDBLTB-SNVBAGLBSA-N 1 2 211.284 1.744 20 0 BDADLO CCCC[C@@H](O)CNc1[nH+]cccc1O ZINC001252078854 968496614 /nfs/dbraw/zinc/49/66/14/968496614.db2.gz BHRHQVKGBVNCSC-SECBINFHSA-N 1 2 210.277 1.750 20 0 BDADLO CCCC[C@@H](O)C[NH+]1CC(N2CCCC2)C1 ZINC001252090555 968512452 /nfs/dbraw/zinc/51/24/52/968512452.db2.gz XFNKVMWFXFYLGP-CYBMUJFWSA-N 1 2 226.364 1.318 20 0 BDADLO CCOC(=O)C[N@H+](C)CC(C)(C)C(=O)CC ZINC001208917006 969298841 /nfs/dbraw/zinc/29/88/41/969298841.db2.gz CNPGMAAXCVJAPJ-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO CCOC(=O)C[N@@H+](C)CC(C)(C)C(=O)CC ZINC001208917006 969298844 /nfs/dbraw/zinc/29/88/44/969298844.db2.gz CNPGMAAXCVJAPJ-UHFFFAOYSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@H]1C[C@H]1C[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001209410056 969474729 /nfs/dbraw/zinc/47/47/29/969474729.db2.gz ATNMMPDOOGCOAH-CIUDSAMLSA-N 1 2 205.248 1.344 20 0 BDADLO C[C@H]1C[C@H]1C[N@H+]1CC(F)(F)C[C@H]1CO ZINC001209410056 969474738 /nfs/dbraw/zinc/47/47/38/969474738.db2.gz ATNMMPDOOGCOAH-CIUDSAMLSA-N 1 2 205.248 1.344 20 0 BDADLO Cc1nnc(Nc2c[nH+]c(C)c(N)c2)o1 ZINC001210284486 969851908 /nfs/dbraw/zinc/85/19/08/969851908.db2.gz GRUUYXJXPVKGKI-UHFFFAOYSA-N 1 2 205.221 1.407 20 0 BDADLO O=C1C[N@H+]([C@H]2CCSC2)CCC[C@@H]1F ZINC001255281984 970038870 /nfs/dbraw/zinc/03/88/70/970038870.db2.gz IUEOUEWWOPMVIF-IUCAKERBSA-N 1 2 217.309 1.495 20 0 BDADLO O=C1C[N@@H+]([C@H]2CCSC2)CCC[C@@H]1F ZINC001255281984 970038884 /nfs/dbraw/zinc/03/88/84/970038884.db2.gz IUEOUEWWOPMVIF-IUCAKERBSA-N 1 2 217.309 1.495 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000402082817 970759502 /nfs/dbraw/zinc/75/95/02/970759502.db2.gz VWYVDDDFTFXXHP-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000402082817 970759514 /nfs/dbraw/zinc/75/95/14/970759514.db2.gz VWYVDDDFTFXXHP-LLVKDONJSA-N 1 2 229.320 1.441 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](CC)C1)[C@@H](C)O ZINC001173267560 975133142 /nfs/dbraw/zinc/13/31/42/975133142.db2.gz SDLJVTYTCVEXDR-KXNHARMFSA-N 1 2 243.347 1.467 20 0 BDADLO CCc1onc(C)c1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC001332702079 975261745 /nfs/dbraw/zinc/26/17/45/975261745.db2.gz YWICVDGXUVQVLI-JTQLQIEISA-N 1 2 237.347 1.681 20 0 BDADLO CCc1onc(C)c1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC001332702079 975261754 /nfs/dbraw/zinc/26/17/54/975261754.db2.gz YWICVDGXUVQVLI-JTQLQIEISA-N 1 2 237.347 1.681 20 0 BDADLO CC(C)(C)c1nc(Nc2cc[nH+]cc2)no1 ZINC001173879522 975917811 /nfs/dbraw/zinc/91/78/11/975917811.db2.gz SYNXEPIQGPIBGC-UHFFFAOYSA-N 1 2 218.260 1.928 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCO[C@](C)(CC)C1 ZINC001335906759 977359932 /nfs/dbraw/zinc/35/99/32/977359932.db2.gz OUYCAEHPJVZYTH-FMFIFOJESA-N 1 2 241.331 1.607 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCO[C@](C)(CC)C1 ZINC001335906759 977359936 /nfs/dbraw/zinc/35/99/36/977359936.db2.gz OUYCAEHPJVZYTH-FMFIFOJESA-N 1 2 241.331 1.607 20 0 BDADLO COc1cc(N=C2CCC[N@H+](C)C2)no1 ZINC001175575485 977580762 /nfs/dbraw/zinc/58/07/62/977580762.db2.gz XPOMBGQCKXQWTM-UHFFFAOYSA-N 1 2 209.249 1.315 20 0 BDADLO COc1cc(N=C2CCC[N@@H+](C)C2)no1 ZINC001175575485 977580771 /nfs/dbraw/zinc/58/07/71/977580771.db2.gz XPOMBGQCKXQWTM-UHFFFAOYSA-N 1 2 209.249 1.315 20 0 BDADLO COCCN(CCOC)c1cc(F)cc(C)[nH+]1 ZINC001336430770 977679594 /nfs/dbraw/zinc/67/95/94/977679594.db2.gz BTFKKQDXOHTLSM-UHFFFAOYSA-N 1 2 242.294 1.628 20 0 BDADLO COc1cnc(C[NH+]2CC(C)(C)C2)cn1 ZINC001231934589 977804537 /nfs/dbraw/zinc/80/45/37/977804537.db2.gz UMJLPMGOPVGBSE-UHFFFAOYSA-N 1 2 207.277 1.327 20 0 BDADLO CC(=O)N1CCC[N@H+](Cc2cnsc2)CC1 ZINC001232224251 977949164 /nfs/dbraw/zinc/94/91/64/977949164.db2.gz IPGFZNCQAKKAIQ-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO CC(=O)N1CCC[N@@H+](Cc2cnsc2)CC1 ZINC001232224251 977949174 /nfs/dbraw/zinc/94/91/74/977949174.db2.gz IPGFZNCQAKKAIQ-UHFFFAOYSA-N 1 2 239.344 1.197 20 0 BDADLO FC1(F)CO[C@H]2C[N@H+](Cc3cnsc3)C[C@H]21 ZINC001232225809 977948145 /nfs/dbraw/zinc/94/81/45/977948145.db2.gz HFTRFSDBIRGPQG-BDAKNGLRSA-N 1 2 246.282 1.609 20 0 BDADLO FC1(F)CO[C@H]2C[N@@H+](Cc3cnsc3)C[C@H]21 ZINC001232225809 977948155 /nfs/dbraw/zinc/94/81/55/977948155.db2.gz HFTRFSDBIRGPQG-BDAKNGLRSA-N 1 2 246.282 1.609 20 0 BDADLO COCc1cccc(C[NH+]2CC(C)(CO)C2)n1 ZINC001232251784 977979495 /nfs/dbraw/zinc/97/94/95/977979495.db2.gz HATLNIZNQHOHCF-UHFFFAOYSA-N 1 2 236.315 1.042 20 0 BDADLO CCOC(=O)Cc1cc[nH+]c(N(C)C)c1 ZINC000261253975 978220598 /nfs/dbraw/zinc/22/05/98/978220598.db2.gz HQFMOKXGVOQMAH-UHFFFAOYSA-N 1 2 208.261 1.253 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970586 978377018 /nfs/dbraw/zinc/37/70/18/978377018.db2.gz HAJPNJPDGKMBRW-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970586 978377027 /nfs/dbraw/zinc/37/70/27/978377027.db2.gz HAJPNJPDGKMBRW-QMMMGPOBSA-N 1 2 243.253 1.485 20 0 BDADLO CC[C@H](C)OCC(=O)Nc1c(C)c[nH+]cc1C ZINC001337641641 978438809 /nfs/dbraw/zinc/43/88/09/978438809.db2.gz ZXAGKMWYAASOOG-NSHDSACASA-N 1 2 236.315 1.874 20 0 BDADLO C[N@@H+](Cc1ccsc1Cl)C[C@H](O)CO ZINC001233055980 978450491 /nfs/dbraw/zinc/45/04/91/978450491.db2.gz KLMSJWSEMFNGFF-QMMMGPOBSA-N 1 2 235.736 1.187 20 0 BDADLO C[N@H+](Cc1ccsc1Cl)C[C@H](O)CO ZINC001233055980 978450503 /nfs/dbraw/zinc/45/05/03/978450503.db2.gz KLMSJWSEMFNGFF-QMMMGPOBSA-N 1 2 235.736 1.187 20 0 BDADLO C[C@@]1(O)COCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC001233314440 978538620 /nfs/dbraw/zinc/53/86/20/978538620.db2.gz XULZVQJNUTWVJA-NSHDSACASA-N 1 2 245.706 1.516 20 0 BDADLO C[C@@]1(O)COCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC001233314440 978538630 /nfs/dbraw/zinc/53/86/30/978538630.db2.gz XULZVQJNUTWVJA-NSHDSACASA-N 1 2 245.706 1.516 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001233318136 978549525 /nfs/dbraw/zinc/54/95/25/978549525.db2.gz RDXPLWLNTSRDRX-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC001233318136 978549531 /nfs/dbraw/zinc/54/95/31/978549531.db2.gz RDXPLWLNTSRDRX-BDAKNGLRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)o1 ZINC001233365017 978575563 /nfs/dbraw/zinc/57/55/63/978575563.db2.gz SJXVKVJKKFJVFK-VIFPVBQESA-N 1 2 222.288 1.784 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC(=O)[C@@H](C)C2)o1 ZINC001233365017 978575570 /nfs/dbraw/zinc/57/55/70/978575570.db2.gz SJXVKVJKKFJVFK-VIFPVBQESA-N 1 2 222.288 1.784 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233923322 978729517 /nfs/dbraw/zinc/72/95/17/978729517.db2.gz AYYNQKCJZKAOFZ-NEPJUHHUSA-N 1 2 244.354 1.925 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233923322 978729522 /nfs/dbraw/zinc/72/95/22/978729522.db2.gz AYYNQKCJZKAOFZ-NEPJUHHUSA-N 1 2 244.354 1.925 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2F)c[nH+]1 ZINC001339060119 978782878 /nfs/dbraw/zinc/78/28/78/978782878.db2.gz OYFOCJWNLWHJBP-MNOVXSKESA-N 1 2 222.263 1.673 20 0 BDADLO COC[C@@H]1C[N@H+](C[C@@H](C)C(F)(F)F)CCO1 ZINC000441155432 978818842 /nfs/dbraw/zinc/81/88/42/978818842.db2.gz OSHMUTOZQBFLMW-BDAKNGLRSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@@H]1C[N@@H+](C[C@@H](C)C(F)(F)F)CCO1 ZINC000441155432 978818846 /nfs/dbraw/zinc/81/88/46/978818846.db2.gz OSHMUTOZQBFLMW-BDAKNGLRSA-N 1 2 241.253 1.532 20 0 BDADLO C[C@H](O)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001181351864 979047864 /nfs/dbraw/zinc/04/78/64/979047864.db2.gz SPUXRURZBPSJIE-QMMMGPOBSA-N 1 2 219.244 1.044 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCCC(=O)[C@@H](F)C1 ZINC001235539319 979079063 /nfs/dbraw/zinc/07/90/63/979079063.db2.gz SUAPPTAFCHWXJL-JTQLQIEISA-N 1 2 239.294 1.232 20 0 BDADLO CCc1[nH]ncc1C[N@H+]1CCCOCC1 ZINC001237652801 980010187 /nfs/dbraw/zinc/01/01/87/980010187.db2.gz XVHQXCKZBPWEFH-UHFFFAOYSA-N 1 2 209.293 1.194 20 0 BDADLO CCOc1cc(C[NH+]2CCC2)c(F)cn1 ZINC001238728911 980318448 /nfs/dbraw/zinc/31/84/48/980318448.db2.gz KAVXQJRFFHQRRR-UHFFFAOYSA-N 1 2 210.252 1.825 20 0 BDADLO C[C@@H](NC(=O)NC1C[NH+](C)C1)C1CCCCC1 ZINC001186352488 980364864 /nfs/dbraw/zinc/36/48/64/980364864.db2.gz SXEVJOHYKBZYFG-SNVBAGLBSA-N 1 2 239.363 1.568 20 0 BDADLO CC/C(C)=C\C(=O)NCCc1[nH+]ccn1C ZINC001348253802 981320128 /nfs/dbraw/zinc/32/01/28/981320128.db2.gz CUELHZHZTWKLNK-KTKRTIGZSA-N 1 2 221.304 1.435 20 0 BDADLO C[C@@H](Cc1nnc(C[NH+](C)C)o1)[C@H]1CCCO1 ZINC001348435809 981361981 /nfs/dbraw/zinc/36/19/81/981361981.db2.gz IHSMLEYAXQQMKA-VHSXEESVSA-N 1 2 239.319 1.489 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)C1CC1 ZINC001349498350 981565730 /nfs/dbraw/zinc/56/57/30/981565730.db2.gz BOAJHMIMHHVDGU-MVWJERBFSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)CC(C)(C)CO)o1 ZINC001194723987 981873870 /nfs/dbraw/zinc/87/38/70/981873870.db2.gz PJAYNAXULSWOIP-UHFFFAOYSA-N 1 2 241.335 1.643 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)CC(C)(C)CO)o1 ZINC001194723987 981873872 /nfs/dbraw/zinc/87/38/72/981873872.db2.gz PJAYNAXULSWOIP-UHFFFAOYSA-N 1 2 241.335 1.643 20 0 BDADLO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)on1 ZINC001350381601 981952074 /nfs/dbraw/zinc/95/20/74/981952074.db2.gz NZCPSPVXKWNMIV-NSHDSACASA-N 1 2 224.260 1.048 20 0 BDADLO COc1cc(C[N@H+]2CC[C@@]23CCOC3)on1 ZINC001350381601 981952082 /nfs/dbraw/zinc/95/20/82/981952082.db2.gz NZCPSPVXKWNMIV-NSHDSACASA-N 1 2 224.260 1.048 20 0 BDADLO C[NH+]1CC(NC(=O)Oc2ccc(F)cc2)C1 ZINC001195048014 982036515 /nfs/dbraw/zinc/03/65/15/982036515.db2.gz JGYXCEDGNBDJIG-UHFFFAOYSA-N 1 2 224.235 1.228 20 0 BDADLO CC[C@H]1C[N@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001351161225 982225960 /nfs/dbraw/zinc/22/59/60/982225960.db2.gz FDESCYSCQHUXEK-UFBFGSQYSA-N 1 2 242.269 1.563 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001351161225 982225968 /nfs/dbraw/zinc/22/59/68/982225968.db2.gz FDESCYSCQHUXEK-UFBFGSQYSA-N 1 2 242.269 1.563 20 0 BDADLO CC[C@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001352434420 982525015 /nfs/dbraw/zinc/52/50/15/982525015.db2.gz YMIOPWSSLAYFCD-NSHDSACASA-N 1 2 235.331 1.658 20 0 BDADLO CC[C@@H](O)C[N@@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785905 982593218 /nfs/dbraw/zinc/59/32/18/982593218.db2.gz LLSKIHMMFQFLKV-MWLCHTKSSA-N 1 2 223.320 1.175 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCC=C(Cl)C1 ZINC001300187180 982678491 /nfs/dbraw/zinc/67/84/91/982678491.db2.gz GKVNHLYBDTXZQY-SNVBAGLBSA-N 1 2 228.723 1.436 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CCC=C(Cl)C1 ZINC001300187180 982678501 /nfs/dbraw/zinc/67/85/01/982678501.db2.gz GKVNHLYBDTXZQY-SNVBAGLBSA-N 1 2 228.723 1.436 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2ccccc2Cl)C1 ZINC001202068825 983545404 /nfs/dbraw/zinc/54/54/04/983545404.db2.gz OBHKUGMWPUGWCW-UHFFFAOYSA-N 1 2 239.706 1.776 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2ccccc2F)C1 ZINC001202003077 983537087 /nfs/dbraw/zinc/53/70/87/983537087.db2.gz PQPGOOQKKXMYSF-UHFFFAOYSA-N 1 2 223.251 1.261 20 0 BDADLO CC(C)NC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001202516628 983847048 /nfs/dbraw/zinc/84/70/48/983847048.db2.gz JWVVYZXARGAVGC-UHFFFAOYSA-N 1 2 219.288 1.522 20 0 BDADLO COC(=O)C1([NH2+][C@H](C)CCOC(C)C)CC1 ZINC001172433165 974719051 /nfs/dbraw/zinc/71/90/51/974719051.db2.gz GXFHUKBHCMIDSQ-SNVBAGLBSA-N 1 2 229.320 1.485 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H](C)CCOC(C)C ZINC001172444547 974805621 /nfs/dbraw/zinc/80/56/21/974805621.db2.gz MKAOLHIOCBYVIG-NSHDSACASA-N 1 2 231.336 1.733 20 0 BDADLO O=C1CC2(CC2)CN1C[NH+]1CCSCC1 ZINC001327342932 972553941 /nfs/dbraw/zinc/55/39/41/972553941.db2.gz YPNWQLLVNOCOMZ-UHFFFAOYSA-N 1 2 226.345 1.005 20 0 BDADLO CC1=C(OCc2c[nH+]cn2C)C(=O)O[C@@H]1C ZINC001222595184 972592179 /nfs/dbraw/zinc/59/21/79/972592179.db2.gz SBCMIDJGSJQSBK-MRVPVSSYSA-N 1 2 222.244 1.156 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC001327729688 972717429 /nfs/dbraw/zinc/71/74/29/972717429.db2.gz IVYYFLURPRUYIO-PRQTWWFRSA-N 1 2 239.344 1.078 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC001327729688 972717479 /nfs/dbraw/zinc/71/74/79/972717479.db2.gz IVYYFLURPRUYIO-PRQTWWFRSA-N 1 2 239.344 1.078 20 0 BDADLO C[C@H](C1CC1)[N@H+](Cc1nnc[nH]1)C1CC1 ZINC001327865796 972769719 /nfs/dbraw/zinc/76/97/19/972769719.db2.gz SJALAUCRJNGGHR-MRVPVSSYSA-N 1 2 206.293 1.568 20 0 BDADLO C[C@H](C1CC1)[N@@H+](Cc1nnc[nH]1)C1CC1 ZINC001327865796 972769727 /nfs/dbraw/zinc/76/97/27/972769727.db2.gz SJALAUCRJNGGHR-MRVPVSSYSA-N 1 2 206.293 1.568 20 0 BDADLO CCO[C@@H](C[NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC001329224095 973570372 /nfs/dbraw/zinc/57/03/72/973570372.db2.gz VTHZPCSCVJTHRZ-KCJUWKMLSA-N 1 2 239.319 1.844 20 0 BDADLO CC(C)Cc1nnc(CC[NH+]2CCOCC2)o1 ZINC001256400075 970805329 /nfs/dbraw/zinc/80/53/29/970805329.db2.gz FDBAHZMGKPZWJM-UHFFFAOYSA-N 1 2 239.319 1.143 20 0 BDADLO CCN1CC[N@@H+]([C@H](C)Cc2ccccn2)CC1=O ZINC001256420631 970827894 /nfs/dbraw/zinc/82/78/94/970827894.db2.gz CVNVZDRGMYMOAT-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@H+]([C@H](C)Cc2ccccn2)CC1=O ZINC001256420631 970827899 /nfs/dbraw/zinc/82/78/99/970827899.db2.gz CVNVZDRGMYMOAT-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC1)n1cc[nH+]c1 ZINC001256477974 970850741 /nfs/dbraw/zinc/85/07/41/970850741.db2.gz FJYMHLFXSUCYTF-INTQDDNPSA-N 1 2 219.288 1.359 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)C[C@H]1C ZINC001147743487 973757571 /nfs/dbraw/zinc/75/75/71/973757571.db2.gz WYUVOUIIGXAXKI-DTWKUNHWSA-N 1 2 221.304 1.518 20 0 BDADLO CN1CC[NH+](CCO[C@@H]2CCCC[C@@H]2F)CC1 ZINC001224548936 973766830 /nfs/dbraw/zinc/76/68/30/973766830.db2.gz HYIOFFDKBBLHPG-QWHCGFSZSA-N 1 2 244.354 1.531 20 0 BDADLO COC(=O)C1([NH2+][C@H](C)Cc2ccncc2)CCC1 ZINC001256718328 970938017 /nfs/dbraw/zinc/93/80/17/970938017.db2.gz HGBYXFMFYMIREX-LLVKDONJSA-N 1 2 248.326 1.698 20 0 BDADLO COc1ccc(C)[nH+]c1N[C@H]1COC(=O)C1 ZINC001158244315 971140963 /nfs/dbraw/zinc/14/09/63/971140963.db2.gz KSADKCCMQKSSLB-MRVPVSSYSA-N 1 2 222.244 1.126 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCC=C(Cl)C1 ZINC000404391025 971156716 /nfs/dbraw/zinc/15/67/16/971156716.db2.gz MLYVGECYTMBJJA-MRVPVSSYSA-N 1 2 202.685 1.079 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCC=C(Cl)C1 ZINC000404391025 971156723 /nfs/dbraw/zinc/15/67/23/971156723.db2.gz MLYVGECYTMBJJA-MRVPVSSYSA-N 1 2 202.685 1.079 20 0 BDADLO CC[C@@H]1CCCCC[N@@H+]1Cc1nc[nH]n1 ZINC001329878222 973994000 /nfs/dbraw/zinc/99/40/00/973994000.db2.gz OAWNDCZOMYGPCX-SNVBAGLBSA-N 1 2 208.309 1.959 20 0 BDADLO CC[C@@H]1CCCCC[N@H+]1Cc1nc[nH]n1 ZINC001329878222 973994007 /nfs/dbraw/zinc/99/40/07/973994007.db2.gz OAWNDCZOMYGPCX-SNVBAGLBSA-N 1 2 208.309 1.959 20 0 BDADLO COC(=O)C[C@H]([NH3+])c1nnc(CCC(C)C)o1 ZINC001217695150 971330082 /nfs/dbraw/zinc/33/00/82/971330082.db2.gz CBBJOJICBWEGEM-QMMMGPOBSA-N 1 2 241.291 1.221 20 0 BDADLO Cc1ccc(-c2nnc([C@@H]([NH3+])CO)o2)cc1F ZINC001217700030 971341064 /nfs/dbraw/zinc/34/10/64/971341064.db2.gz ZGRVFJQWOPVMPO-VIFPVBQESA-N 1 2 237.234 1.176 20 0 BDADLO Cc1cc(NC[C@H]2COCC[N@H+]2C)ncc1F ZINC001158703267 971403947 /nfs/dbraw/zinc/40/39/47/971403947.db2.gz ZIHDXVSLOWEISH-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)ncc1F ZINC001158703267 971403960 /nfs/dbraw/zinc/40/39/60/971403960.db2.gz ZIHDXVSLOWEISH-JTQLQIEISA-N 1 2 239.294 1.272 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccn(C)c1 ZINC001133681916 971592301 /nfs/dbraw/zinc/59/23/01/971592301.db2.gz BSFHSAQHVKARQB-UHFFFAOYSA-N 1 2 229.283 1.711 20 0 BDADLO Fc1c[nH+]ccc1NCc1cccc2ccnn21 ZINC001170709409 971612662 /nfs/dbraw/zinc/61/26/62/971612662.db2.gz MYTLVKZYNMEOJS-UHFFFAOYSA-N 1 2 242.257 1.902 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]CC1(OC)CCC1 ZINC001330638460 974379131 /nfs/dbraw/zinc/37/91/31/974379131.db2.gz GWPNJCPSLROKHI-NSHDSACASA-N 1 2 241.331 1.487 20 0 BDADLO CC1(C)[C@@H]2C[C@@H](N3CC[NH2+]CC(F)(F)C3)C[C@@H]21 ZINC001170748166 971716027 /nfs/dbraw/zinc/71/60/27/971716027.db2.gz YNNQKZKIGLIHKX-RTCCRHLQSA-N 1 2 244.329 1.962 20 0 BDADLO Nc1ncc(C[NH+]2CCC(F)(F)CC2)cn1 ZINC000309648995 971720218 /nfs/dbraw/zinc/72/02/18/971720218.db2.gz WZNJROQMHMFMFZ-UHFFFAOYSA-N 1 2 228.246 1.290 20 0 BDADLO O[C@H]1C[C@@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001218419979 971794325 /nfs/dbraw/zinc/79/43/25/971794325.db2.gz BSSSCPKVEIYXQC-BJHJDKERSA-N 1 2 230.267 1.774 20 0 BDADLO Cn1c[nH+]cc1-c1ccc(O[C@H]2C[C@@H](O)C2)cc1 ZINC001218422313 971798264 /nfs/dbraw/zinc/79/82/64/971798264.db2.gz OGOHVXYQKMTRGX-BJHJDKERSA-N 1 2 244.294 1.989 20 0 BDADLO OCC[N@H+](CC(F)F)CC1CCC(O)CC1 ZINC000309726856 971805665 /nfs/dbraw/zinc/80/56/65/971805665.db2.gz DIUAVBPEJXTZEN-UHFFFAOYSA-N 1 2 237.290 1.097 20 0 BDADLO OCC[N@@H+](CC(F)F)CC1CCC(O)CC1 ZINC000309726856 971805667 /nfs/dbraw/zinc/80/56/67/971805667.db2.gz DIUAVBPEJXTZEN-UHFFFAOYSA-N 1 2 237.290 1.097 20 0 BDADLO CC[C@@H](C)OCC[C@H](C)[NH2+]CC(=O)OC ZINC001172318629 974528111 /nfs/dbraw/zinc/52/81/11/974528111.db2.gz KJNDYCTYLUJTRZ-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CCCOCC1 ZINC001170810177 971874270 /nfs/dbraw/zinc/87/42/70/971874270.db2.gz XVBGZZUWRZAKRC-MXWKQRLJSA-N 1 2 245.294 1.141 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CCCOCC1 ZINC001170810177 971874276 /nfs/dbraw/zinc/87/42/76/971874276.db2.gz XVBGZZUWRZAKRC-MXWKQRLJSA-N 1 2 245.294 1.141 20 0 BDADLO O=C(Nc1ccc2c(c1)NCCC2)C1(F)C[NH2+]C1 ZINC001218903055 971960590 /nfs/dbraw/zinc/96/05/90/971960590.db2.gz CJFABZSQUOYMET-UHFFFAOYSA-N 1 2 249.289 1.295 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC001135687754 971964180 /nfs/dbraw/zinc/96/41/80/971964180.db2.gz WINYZQOUJKNDSW-LLVKDONJSA-N 1 2 222.263 1.858 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC001135687754 971964205 /nfs/dbraw/zinc/96/42/05/971964205.db2.gz WINYZQOUJKNDSW-LLVKDONJSA-N 1 2 222.263 1.858 20 0 BDADLO C[C@H](C(=O)NCCC1CCC1)n1cc[nH+]c1 ZINC001329889784 972091049 /nfs/dbraw/zinc/09/10/49/972091049.db2.gz AAFLMVGCDNYKSP-SNVBAGLBSA-N 1 2 221.304 1.751 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)C2(F)C[NH2+]C2)CC(C)(C)C1 ZINC001220288971 972204692 /nfs/dbraw/zinc/20/46/92/972204692.db2.gz OMBHDDFVEOJPCB-VHSXEESVSA-N 1 2 242.338 1.629 20 0 BDADLO O=C(/C=C/[C@H]1CCOC1)OCCn1cc[nH+]c1 ZINC001344869181 956874226 /nfs/dbraw/zinc/87/42/26/956874226.db2.gz NWRWDDMJWIFCAG-GXFZAYBSSA-N 1 2 236.271 1.019 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]1C ZINC001136710597 972245093 /nfs/dbraw/zinc/24/50/93/972245093.db2.gz RGTKJKAXTIWJAO-WPRPVWTQSA-N 1 2 221.304 1.565 20 0 BDADLO CNc1nccc(C[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC001140040883 957414203 /nfs/dbraw/zinc/41/42/03/957414203.db2.gz QAEIGJAVFBLFIE-GFCCVEGCSA-N 1 2 238.310 1.842 20 0 BDADLO CNc1nccc(C[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC001140040883 957414209 /nfs/dbraw/zinc/41/42/09/957414209.db2.gz QAEIGJAVFBLFIE-GFCCVEGCSA-N 1 2 238.310 1.842 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000049237789 957475845 /nfs/dbraw/zinc/47/58/45/957475845.db2.gz SSAGTZRKRHWDJR-SECBINFHSA-N 1 2 246.270 1.477 20 0 BDADLO CCN(CC(C)(C)O)c1[nH+]c(C)ccc1OC ZINC001167159986 957503539 /nfs/dbraw/zinc/50/35/39/957503539.db2.gz ICCPAIORUOYWSM-UHFFFAOYSA-N 1 2 238.331 1.996 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cnc(Cl)cc1C ZINC001209627870 957516150 /nfs/dbraw/zinc/51/61/50/957516150.db2.gz IZLIJEQZLYVQPO-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cnc(Cl)cc1C ZINC001209627870 957516160 /nfs/dbraw/zinc/51/61/60/957516160.db2.gz IZLIJEQZLYVQPO-UHFFFAOYSA-N 1 2 241.722 1.221 20 0 BDADLO c1ncc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)[nH]1 ZINC001136866332 972279939 /nfs/dbraw/zinc/27/99/39/972279939.db2.gz RPRGKFQBEMYTEJ-CMPLNLGQSA-N 1 2 221.304 1.411 20 0 BDADLO C[C@@H](OCC[NH+]1CCOCC1)C1CCOCC1 ZINC001210192768 957663264 /nfs/dbraw/zinc/66/32/64/957663264.db2.gz YVCCOGIFBHWMQL-GFCCVEGCSA-N 1 2 243.347 1.150 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2cccc3c2OCC3)n1 ZINC000693129683 957693066 /nfs/dbraw/zinc/69/30/66/957693066.db2.gz GGKFTJOHCHCUGH-UHFFFAOYSA-N 1 2 243.310 1.943 20 0 BDADLO CC[N@H+](CCn1ccnc1)Cc1cnc[nH]1 ZINC001136873601 972286733 /nfs/dbraw/zinc/28/67/33/972286733.db2.gz UAMVHRHIKNTLIK-UHFFFAOYSA-N 1 2 219.292 1.128 20 0 BDADLO CC[N@@H+](CCn1ccnc1)Cc1cnc[nH]1 ZINC001136873601 972286738 /nfs/dbraw/zinc/28/67/38/972286738.db2.gz UAMVHRHIKNTLIK-UHFFFAOYSA-N 1 2 219.292 1.128 20 0 BDADLO CC[N@@H+](CCn1ccnc1)Cc1c[nH]cn1 ZINC001136873601 972286742 /nfs/dbraw/zinc/28/67/42/972286742.db2.gz UAMVHRHIKNTLIK-UHFFFAOYSA-N 1 2 219.292 1.128 20 0 BDADLO CN(C)c1ccc(NCc2cccnn2)[nH+]c1 ZINC001167327442 957768028 /nfs/dbraw/zinc/76/80/28/957768028.db2.gz DCBYGESEFOJTTG-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO FC1(F)CO[C@]2(CC[N@H+](Cc3c[nH]cn3)C2)C1 ZINC001136871936 972292049 /nfs/dbraw/zinc/29/20/49/972292049.db2.gz VLWMYUPSVJZLAG-SNVBAGLBSA-N 1 2 243.257 1.410 20 0 BDADLO FC1(F)CO[C@]2(CC[N@@H+](Cc3c[nH]cn3)C2)C1 ZINC001136871936 972292052 /nfs/dbraw/zinc/29/20/52/972292052.db2.gz VLWMYUPSVJZLAG-SNVBAGLBSA-N 1 2 243.257 1.410 20 0 BDADLO O=C1CC(Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001167334887 957787955 /nfs/dbraw/zinc/78/79/55/957787955.db2.gz SYXJKZOVMHEOJY-UHFFFAOYSA-N 1 2 201.229 1.706 20 0 BDADLO CC(=O)Nc1cc(Nc2ccncn2)cc[nH+]1 ZINC001211024953 957990900 /nfs/dbraw/zinc/99/09/00/957990900.db2.gz DEBFPSYGJPBUBE-UHFFFAOYSA-N 1 2 229.243 1.574 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)oc1C ZINC001204535981 958002260 /nfs/dbraw/zinc/00/22/60/958002260.db2.gz BHJPLFAFEIGWOB-NWDGAFQWSA-N 1 2 227.279 1.801 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)oc1C ZINC001204535981 958002275 /nfs/dbraw/zinc/00/22/75/958002275.db2.gz BHJPLFAFEIGWOB-NWDGAFQWSA-N 1 2 227.279 1.801 20 0 BDADLO CC(C)ONC(=O)NCCCCn1cc[nH+]c1 ZINC001221303653 972313964 /nfs/dbraw/zinc/31/39/64/972313964.db2.gz XYJCAZUFLPECFR-UHFFFAOYSA-N 1 2 240.307 1.303 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H](F)C2)cc1C ZINC001136999597 972316604 /nfs/dbraw/zinc/31/66/04/972316604.db2.gz CRQKMRXBQPKDBU-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H](F)C2)cc1C ZINC001136999597 972316607 /nfs/dbraw/zinc/31/66/07/972316607.db2.gz CRQKMRXBQPKDBU-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO Cc1c[nH+]cc(Nc2ncn(C)n2)c1C ZINC001213523211 958200870 /nfs/dbraw/zinc/20/08/70/958200870.db2.gz NJPOEAYIGXSICD-UHFFFAOYSA-N 1 2 203.249 1.571 20 0 BDADLO C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000092926570 958202544 /nfs/dbraw/zinc/20/25/44/958202544.db2.gz IAROJMWOWCENKG-QWRGUYRKSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCn1cc[nH+]c1 ZINC000092926570 958202554 /nfs/dbraw/zinc/20/25/54/958202554.db2.gz IAROJMWOWCENKG-QWRGUYRKSA-N 1 2 237.303 1.068 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@H+](CCO)CC(F)F ZINC000723115198 958247582 /nfs/dbraw/zinc/24/75/82/958247582.db2.gz KFTDMEAAUAXONQ-BDAKNGLRSA-N 1 2 207.264 1.592 20 0 BDADLO CC[C@@H]1C[C@H]1C[N@@H+](CCO)CC(F)F ZINC000723115198 958247598 /nfs/dbraw/zinc/24/75/98/958247598.db2.gz KFTDMEAAUAXONQ-BDAKNGLRSA-N 1 2 207.264 1.592 20 0 BDADLO CCOCC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC001172407865 974666246 /nfs/dbraw/zinc/66/62/46/974666246.db2.gz BTNBXABEMVZJNQ-QWRGUYRKSA-N 1 2 231.336 1.731 20 0 BDADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001137039923 972339761 /nfs/dbraw/zinc/33/97/61/972339761.db2.gz TVLCEMCKOGCXSP-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO COc1ccc(C[N@H+]2CCC[C@H]2C(C)=O)cn1 ZINC001137039923 972339766 /nfs/dbraw/zinc/33/97/66/972339766.db2.gz TVLCEMCKOGCXSP-LBPRGKRZSA-N 1 2 234.299 1.644 20 0 BDADLO CC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC000078250314 958391432 /nfs/dbraw/zinc/39/14/32/958391432.db2.gz LCLLTYCMCVNKOV-UHFFFAOYSA-N 1 2 222.292 1.065 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891562389 958464584 /nfs/dbraw/zinc/46/45/84/958464584.db2.gz OPNZXZDRKBKDDQ-CYBMUJFWSA-N 1 2 249.358 1.908 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)CCO1 ZINC000891562389 958464588 /nfs/dbraw/zinc/46/45/88/958464588.db2.gz OPNZXZDRKBKDDQ-CYBMUJFWSA-N 1 2 249.358 1.908 20 0 BDADLO CC1=C(OCCn2cc[nH+]c2)C(=O)O[C@@H]1C ZINC001222134497 972385162 /nfs/dbraw/zinc/38/51/62/972385162.db2.gz FEJLBEYGDUPJKM-SECBINFHSA-N 1 2 222.244 1.119 20 0 BDADLO Cc1[nH+]c[nH]c1CN1Cc2cccnc2C1 ZINC001204589207 958927492 /nfs/dbraw/zinc/92/74/92/958927492.db2.gz TZGVUUVEFKSBKT-UHFFFAOYSA-N 1 2 214.272 1.629 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1C[C@@H]1F ZINC001143446072 959023932 /nfs/dbraw/zinc/02/39/32/959023932.db2.gz PMUGYPHZCZEMLA-QWRGUYRKSA-N 1 2 237.278 1.582 20 0 BDADLO COc1ncnc(C)c1NCc1cc[nH+]c(N)c1 ZINC001167616813 959083619 /nfs/dbraw/zinc/08/36/19/959083619.db2.gz QYXYXUHQIKXPMI-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO Nc1cc(CNc2cn3ccnc3cn2)cc[nH+]1 ZINC001167617773 959093015 /nfs/dbraw/zinc/09/30/15/959093015.db2.gz UMINTWUDUDEKFK-UHFFFAOYSA-N 1 2 240.270 1.319 20 0 BDADLO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)C(C)(C)C1 ZINC000724701913 959211621 /nfs/dbraw/zinc/21/16/21/959211621.db2.gz NNTSAUDGKUNFPB-JGVFFNPUSA-N 1 2 234.290 1.616 20 0 BDADLO CC[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000724709140 959229503 /nfs/dbraw/zinc/22/95/03/959229503.db2.gz VSEPZGMJWDYBMF-SFYZADRCSA-N 1 2 220.263 1.370 20 0 BDADLO CC(C)=CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001143919357 972412782 /nfs/dbraw/zinc/41/27/82/972412782.db2.gz OHASIYQMNORHOP-UHFFFAOYSA-N 1 2 216.284 1.897 20 0 BDADLO Cc1cc(NCCc2cn(C)c[nH+]2)nc(F)n1 ZINC000690759956 959301128 /nfs/dbraw/zinc/30/11/28/959301128.db2.gz CKRTUBSONWHMIG-UHFFFAOYSA-N 1 2 235.266 1.312 20 0 BDADLO Cc1nc(CNC(=O)C[C@@H]([NH3+])C(F)F)cs1 ZINC000724738965 959326830 /nfs/dbraw/zinc/32/68/30/959326830.db2.gz KHSPNTYXICRDEW-SSDOTTSWSA-N 1 2 249.286 1.050 20 0 BDADLO CC(C)C1(CNC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000724746827 959354850 /nfs/dbraw/zinc/35/48/50/959354850.db2.gz TXYGIXZTRLXWIU-MRVPVSSYSA-N 1 2 234.290 1.521 20 0 BDADLO [NH3+][C@@H](CC(=O)NC1CC2(CCC2)C1)C(F)F ZINC000724770546 959428204 /nfs/dbraw/zinc/42/82/04/959428204.db2.gz GLIUJLQEJBTTHQ-QMMMGPOBSA-N 1 2 232.274 1.418 20 0 BDADLO Cc1[nH]c(CN2C[C@@H](C)O[C@H](C)C2)c[nH+]1 ZINC000724782491 959487868 /nfs/dbraw/zinc/48/78/68/959487868.db2.gz BSPQAQHPUTYSHA-RKDXNWHRSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]cc(CN2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000724782491 959487882 /nfs/dbraw/zinc/48/78/82/959487882.db2.gz BSPQAQHPUTYSHA-RKDXNWHRSA-N 1 2 209.293 1.327 20 0 BDADLO Nc1cc(N2CCC[C@@H]2C2CCC2)[nH+]cn1 ZINC000708487677 959499463 /nfs/dbraw/zinc/49/94/63/959499463.db2.gz XWIZPKDGSRYDFV-SNVBAGLBSA-N 1 2 218.304 1.828 20 0 BDADLO OCC[C@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000694965342 960056318 /nfs/dbraw/zinc/05/63/18/960056318.db2.gz NINUNQCAJMGVOS-NSHDSACASA-N 1 2 227.329 1.331 20 0 BDADLO OCC[C@H]1COCC[N@H+]1Cc1ccsc1 ZINC000694965342 960056328 /nfs/dbraw/zinc/05/63/28/960056328.db2.gz NINUNQCAJMGVOS-NSHDSACASA-N 1 2 227.329 1.331 20 0 BDADLO OCC[N@H+](Cc1cnco1)Cc1cccs1 ZINC001140932048 960098022 /nfs/dbraw/zinc/09/80/22/960098022.db2.gz YKECYWLXKJMITH-UHFFFAOYSA-N 1 2 238.312 1.731 20 0 BDADLO OCC[N@@H+](Cc1cnco1)Cc1cccs1 ZINC001140932048 960098035 /nfs/dbraw/zinc/09/80/35/960098035.db2.gz YKECYWLXKJMITH-UHFFFAOYSA-N 1 2 238.312 1.731 20 0 BDADLO CCC(C)(C)CC(=O)NC1C[NH+](CCOC)C1 ZINC001267647076 960168818 /nfs/dbraw/zinc/16/88/18/960168818.db2.gz BSTHBMDCRHROER-UHFFFAOYSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692643265 960363438 /nfs/dbraw/zinc/36/34/38/960363438.db2.gz PFOJCDVNTQTAPK-UHFFFAOYSA-N 1 2 209.293 1.535 20 0 BDADLO Cc1cc(C[N@@H+]2CCC23COC3)cc(C)c1O ZINC001140658557 960478362 /nfs/dbraw/zinc/47/83/62/960478362.db2.gz HAWXJXMYMRAEMS-UHFFFAOYSA-N 1 2 233.311 1.984 20 0 BDADLO Cc1cc(C[N@H+]2CCC23COC3)cc(C)c1O ZINC001140658557 960478368 /nfs/dbraw/zinc/47/83/68/960478368.db2.gz HAWXJXMYMRAEMS-UHFFFAOYSA-N 1 2 233.311 1.984 20 0 BDADLO OCc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)o1 ZINC001140678649 960484146 /nfs/dbraw/zinc/48/41/46/960484146.db2.gz FWPQWBWIOWKNIS-UWJYBYFXSA-N 1 2 225.263 1.562 20 0 BDADLO OCc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)o1 ZINC001140678649 960484158 /nfs/dbraw/zinc/48/41/58/960484158.db2.gz FWPQWBWIOWKNIS-UWJYBYFXSA-N 1 2 225.263 1.562 20 0 BDADLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc[nH]c1 ZINC001140706999 960518983 /nfs/dbraw/zinc/51/89/83/960518983.db2.gz SVINAZHKRXOTSS-YPMHNXCESA-N 1 2 234.299 1.542 20 0 BDADLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc[nH]c1 ZINC001140706999 960518995 /nfs/dbraw/zinc/51/89/95/960518995.db2.gz SVINAZHKRXOTSS-YPMHNXCESA-N 1 2 234.299 1.542 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)c[nH]1 ZINC001140709000 960527018 /nfs/dbraw/zinc/52/70/18/960527018.db2.gz PQKZVVRITYJCQP-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H](c3ccccn3)C2)c[nH]1 ZINC001140709000 960527028 /nfs/dbraw/zinc/52/70/28/960527028.db2.gz PQKZVVRITYJCQP-AWEZNQCLSA-N 1 2 243.310 1.983 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c[nH]1 ZINC001140709002 960530001 /nfs/dbraw/zinc/53/00/01/960530001.db2.gz PQKZVVRITYJCQP-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)c[nH]1 ZINC001140709002 960530017 /nfs/dbraw/zinc/53/00/17/960530017.db2.gz PQKZVVRITYJCQP-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)C1(C)COC1 ZINC001203060637 960535658 /nfs/dbraw/zinc/53/56/58/960535658.db2.gz PZBWELGNKSHGPS-UHFFFAOYSA-N 1 2 223.320 1.258 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)C1(C)COC1 ZINC001203060637 960535673 /nfs/dbraw/zinc/53/56/73/960535673.db2.gz PZBWELGNKSHGPS-UHFFFAOYSA-N 1 2 223.320 1.258 20 0 BDADLO Cn1cnc2ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)cc21 ZINC001140738461 960535737 /nfs/dbraw/zinc/53/57/37/960535737.db2.gz BZDWQPHFAVGSIP-TXEJJXNPSA-N 1 2 243.310 1.546 20 0 BDADLO Cn1cnc2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cc21 ZINC001140738461 960535760 /nfs/dbraw/zinc/53/57/60/960535760.db2.gz BZDWQPHFAVGSIP-TXEJJXNPSA-N 1 2 243.310 1.546 20 0 BDADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)[nH]n1 ZINC001203069942 960616618 /nfs/dbraw/zinc/61/66/18/960616618.db2.gz FXFUWGAAROOAFZ-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)[nH]n1 ZINC001203069942 960616631 /nfs/dbraw/zinc/61/66/31/960616631.db2.gz FXFUWGAAROOAFZ-VIFPVBQESA-N 1 2 245.273 1.168 20 0 BDADLO CCn1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cn1 ZINC001327253213 972520863 /nfs/dbraw/zinc/52/08/63/972520863.db2.gz DKINBIHDURXTEK-GXSJLCMTSA-N 1 2 246.318 1.290 20 0 BDADLO Oc1ccc(C[N@H+]2CCC[C@H](O)C2)c(F)c1F ZINC001140887897 960669734 /nfs/dbraw/zinc/66/97/34/960669734.db2.gz IEVPDYFAOWLODR-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Oc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(F)c1F ZINC001140887897 960669742 /nfs/dbraw/zinc/66/97/42/960669742.db2.gz IEVPDYFAOWLODR-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO CCOC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203075298 960670344 /nfs/dbraw/zinc/67/03/44/960670344.db2.gz CPMNURABCAUGJX-UHFFFAOYSA-N 1 2 223.320 1.719 20 0 BDADLO Cc1nccnc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001140934340 960717248 /nfs/dbraw/zinc/71/72/48/960717248.db2.gz BGMCKPPHZXHMCD-SCZZXKLOSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001140934340 960717256 /nfs/dbraw/zinc/71/72/56/960717256.db2.gz BGMCKPPHZXHMCD-SCZZXKLOSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001140934672 960718923 /nfs/dbraw/zinc/71/89/23/960718923.db2.gz RWBWQVFKBAGOED-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1nccnc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001140934672 960718939 /nfs/dbraw/zinc/71/89/39/960718939.db2.gz RWBWQVFKBAGOED-JTQLQIEISA-N 1 2 233.315 1.586 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@]23CCOC3)n[nH]1 ZINC001203081608 960748363 /nfs/dbraw/zinc/74/83/63/960748363.db2.gz DASRAKARMHMQBZ-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@]23CCOC3)n[nH]1 ZINC001203081608 960748380 /nfs/dbraw/zinc/74/83/80/960748380.db2.gz DASRAKARMHMQBZ-GFCCVEGCSA-N 1 2 221.304 1.473 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(F)c(O)c(F)c2)C[C@H]1O ZINC001140987740 960782611 /nfs/dbraw/zinc/78/26/11/960782611.db2.gz BNRNWJLIJHCRKU-WRWORJQWSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(F)c(O)c(F)c2)C[C@H]1O ZINC001140987740 960782619 /nfs/dbraw/zinc/78/26/19/960782619.db2.gz BNRNWJLIJHCRKU-WRWORJQWSA-N 1 2 243.253 1.483 20 0 BDADLO C[C@@]1(CO)CCC[N@H+](Cc2csnn2)CC1 ZINC001140992540 960784472 /nfs/dbraw/zinc/78/44/72/960784472.db2.gz IDWDWOFBUFLSDJ-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO C[C@@]1(CO)CCC[N@@H+](Cc2csnn2)CC1 ZINC001140992540 960784485 /nfs/dbraw/zinc/78/44/85/960784485.db2.gz IDWDWOFBUFLSDJ-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO c1cn2ccc(CN3CC4(CCO4)C3)cc2[nH+]1 ZINC001141045949 960836066 /nfs/dbraw/zinc/83/60/66/960836066.db2.gz GVTCXSRMSPSADY-UHFFFAOYSA-N 1 2 229.283 1.309 20 0 BDADLO CCCCc1nc(C[N@@H+]2CCC[C@H](O)C2)c[nH]1 ZINC001141067308 960857754 /nfs/dbraw/zinc/85/77/54/960857754.db2.gz ZVPBEVMRUAGRMX-LBPRGKRZSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1nc(C[N@H+]2CCC[C@H](O)C2)c[nH]1 ZINC001141067308 960857759 /nfs/dbraw/zinc/85/77/59/960857759.db2.gz ZVPBEVMRUAGRMX-LBPRGKRZSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1ncc(C[N@@H+]2CCC[C@H](O)C2)[nH]1 ZINC001141067308 960857768 /nfs/dbraw/zinc/85/77/68/960857768.db2.gz ZVPBEVMRUAGRMX-LBPRGKRZSA-N 1 2 237.347 1.709 20 0 BDADLO CCCCc1ncc(C[N@H+]2CCC[C@H](O)C2)[nH]1 ZINC001141067308 960857773 /nfs/dbraw/zinc/85/77/73/960857773.db2.gz ZVPBEVMRUAGRMX-LBPRGKRZSA-N 1 2 237.347 1.709 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCCCC12COC2 ZINC001203095040 960868557 /nfs/dbraw/zinc/86/85/57/960868557.db2.gz ILYVENUMQVJROG-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCCCC12COC2 ZINC001203095040 960868566 /nfs/dbraw/zinc/86/85/66/960868566.db2.gz ILYVENUMQVJROG-UHFFFAOYSA-N 1 2 207.277 1.165 20 0 BDADLO CC(C)O[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC001141130525 960881984 /nfs/dbraw/zinc/88/19/84/960881984.db2.gz SECHJECATPLOBO-NSHDSACASA-N 1 2 210.277 1.674 20 0 BDADLO CC(C)O[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC001141130525 960881985 /nfs/dbraw/zinc/88/19/85/960881985.db2.gz SECHJECATPLOBO-NSHDSACASA-N 1 2 210.277 1.674 20 0 BDADLO CN(C)c1cccc(C[NH+]2CC3(CCO3)C2)c1 ZINC001141266249 961032975 /nfs/dbraw/zinc/03/29/75/961032975.db2.gz GOOXXVLLEQKPSY-UHFFFAOYSA-N 1 2 232.327 1.727 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001481527511 961123956 /nfs/dbraw/zinc/12/39/56/961123956.db2.gz MNPHXMNDNWOUQR-NXEZZACHSA-N 1 2 234.290 1.285 20 0 BDADLO CC[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001481527511 961123968 /nfs/dbraw/zinc/12/39/68/961123968.db2.gz MNPHXMNDNWOUQR-NXEZZACHSA-N 1 2 234.290 1.285 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C(C)C)cn1 ZINC001203117988 961279844 /nfs/dbraw/zinc/27/98/44/961279844.db2.gz UEBJMPMJWAPYBZ-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C(C)C)cn1 ZINC001203117988 961279879 /nfs/dbraw/zinc/27/98/79/961279879.db2.gz UEBJMPMJWAPYBZ-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO CNc1cc(NCC2SCCS2)[nH+]cn1 ZINC000692909794 961281002 /nfs/dbraw/zinc/28/10/02/961281002.db2.gz JZZCFSWWCHEQEH-UHFFFAOYSA-N 1 2 242.373 1.736 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001481588692 961281724 /nfs/dbraw/zinc/28/17/24/961281724.db2.gz RHYQFDFRDDDHLI-JTQLQIEISA-N 1 2 236.315 1.279 20 0 BDADLO CCCc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001142367635 961423959 /nfs/dbraw/zinc/42/39/59/961423959.db2.gz TZVWJXJMKJGHDC-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)cc1 ZINC001142367635 961423968 /nfs/dbraw/zinc/42/39/68/961423968.db2.gz TZVWJXJMKJGHDC-GFCCVEGCSA-N 1 2 246.354 1.959 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cccc2nn(C)cc21 ZINC001142465447 961450586 /nfs/dbraw/zinc/45/05/86/961450586.db2.gz SAABYGHAGOJRLN-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cccc2nn(C)cc21 ZINC001142465447 961450603 /nfs/dbraw/zinc/45/06/03/961450603.db2.gz SAABYGHAGOJRLN-UHFFFAOYSA-N 1 2 247.298 1.178 20 0 BDADLO Cc1nc(N(C)CCO)cc(C(C)C)[nH+]1 ZINC000709775868 961504634 /nfs/dbraw/zinc/50/46/34/961504634.db2.gz YDXPQJNTMLRJAN-UHFFFAOYSA-N 1 2 209.293 1.337 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167894074 961513692 /nfs/dbraw/zinc/51/36/92/961513692.db2.gz NCJZUZXHLYXDGS-MYJAWHEDSA-N 1 2 211.305 1.716 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)o1 ZINC001142611576 961528155 /nfs/dbraw/zinc/52/81/55/961528155.db2.gz HFJPJEXCWFJNQQ-BDAKNGLRSA-N 1 2 241.262 1.999 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)o1 ZINC001142611576 961528178 /nfs/dbraw/zinc/52/81/78/961528178.db2.gz HFJPJEXCWFJNQQ-BDAKNGLRSA-N 1 2 241.262 1.999 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccn1C1CC1 ZINC001344063164 961585812 /nfs/dbraw/zinc/58/58/12/961585812.db2.gz UZPSKIBNUWVYBU-CYBMUJFWSA-N 1 2 247.342 1.533 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccn1C1CC1 ZINC001344063164 961585817 /nfs/dbraw/zinc/58/58/17/961585817.db2.gz UZPSKIBNUWVYBU-CYBMUJFWSA-N 1 2 247.342 1.533 20 0 BDADLO c1nc2c(cccc2C[NH+]2CC3(CCO3)C2)[nH]1 ZINC001142690009 961625496 /nfs/dbraw/zinc/62/54/96/961625496.db2.gz PRIKFGZYIBRIQE-UHFFFAOYSA-N 1 2 229.283 1.538 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)s1 ZINC001139809063 961666177 /nfs/dbraw/zinc/66/61/77/961666177.db2.gz MZIOJSNLXGHBCI-RKDXNWHRSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)s1 ZINC001139809063 961666187 /nfs/dbraw/zinc/66/61/87/961666187.db2.gz MZIOJSNLXGHBCI-RKDXNWHRSA-N 1 2 230.308 1.356 20 0 BDADLO CC(C)(C)OC(=O)[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167909557 961811568 /nfs/dbraw/zinc/81/15/68/961811568.db2.gz OISNUJHNAGWFIA-VLEAKVRGSA-N 1 2 241.331 1.077 20 0 BDADLO N#CN1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142887945 961816147 /nfs/dbraw/zinc/81/61/47/961816147.db2.gz RALUYQZJQLUMMD-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1cccc2nonc21 ZINC001203126514 961820605 /nfs/dbraw/zinc/82/06/05/961820605.db2.gz DZBZMUQRJSJMBN-VIFPVBQESA-N 1 2 245.282 1.776 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1cccc2nonc21 ZINC001203126514 961820610 /nfs/dbraw/zinc/82/06/10/961820610.db2.gz DZBZMUQRJSJMBN-VIFPVBQESA-N 1 2 245.282 1.776 20 0 BDADLO CCC[C@@H](CC)C(=O)NC1C[NH+](CC)C1 ZINC001268466590 961845052 /nfs/dbraw/zinc/84/50/52/961845052.db2.gz KXCXELBMINWLRX-SNVBAGLBSA-N 1 2 212.337 1.633 20 0 BDADLO CN1CC[N@H+](C/C=C/c2ccccc2)C[C@@H]1CO ZINC000687597155 961854266 /nfs/dbraw/zinc/85/42/66/961854266.db2.gz NECDNZJGRRXKMF-SBJJXXPASA-N 1 2 246.354 1.308 20 0 BDADLO CN1CC[N@@H+](C/C=C/c2ccccc2)C[C@@H]1CO ZINC000687597155 961854267 /nfs/dbraw/zinc/85/42/67/961854267.db2.gz NECDNZJGRRXKMF-SBJJXXPASA-N 1 2 246.354 1.308 20 0 BDADLO CCOC1CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143018795 961863065 /nfs/dbraw/zinc/86/30/65/961863065.db2.gz NSEKGZPGRFMBFO-UHFFFAOYSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@H]1CC(=O)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143018793 961864963 /nfs/dbraw/zinc/86/49/63/961864963.db2.gz NRYBIFPVLHIWDS-NSHDSACASA-N 1 2 243.310 1.888 20 0 BDADLO CN(Cc1ccc2[nH+]ccn2c1)C1COC1 ZINC001143028657 961870812 /nfs/dbraw/zinc/87/08/12/961870812.db2.gz FRRRAYANSBLCFP-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO CC(=O)OC1CN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143028507 961871113 /nfs/dbraw/zinc/87/11/13/961871113.db2.gz CLLVMYDHQRQSRZ-UHFFFAOYSA-N 1 2 245.282 1.082 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cc2cccnc2[nH]1 ZINC001143212527 961954764 /nfs/dbraw/zinc/95/47/64/961954764.db2.gz UTQVRHSTPDUNSO-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143212527 961954782 /nfs/dbraw/zinc/95/47/82/961954782.db2.gz UTQVRHSTPDUNSO-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc3cccnc3[nH]2)C1 ZINC001143216293 961958088 /nfs/dbraw/zinc/95/80/88/961958088.db2.gz AYDMKLNKEZFJAN-UHFFFAOYSA-N 1 2 245.282 1.168 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167931587 962068759 /nfs/dbraw/zinc/06/87/59/962068759.db2.gz OSKIAOVUKIJILJ-XXFSISAASA-N 1 2 227.279 1.370 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167931587 962068780 /nfs/dbraw/zinc/06/87/80/962068780.db2.gz OSKIAOVUKIJILJ-XXFSISAASA-N 1 2 227.279 1.370 20 0 BDADLO CC(C)CC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150700816 962200959 /nfs/dbraw/zinc/20/09/59/962200959.db2.gz CLPZYFVKHYCMJZ-UHFFFAOYSA-N 1 2 233.315 1.595 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccns2)CCC1=O ZINC000710013843 962213490 /nfs/dbraw/zinc/21/34/90/962213490.db2.gz HTGZQZRKJUQJBB-SECBINFHSA-N 1 2 224.329 1.597 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccns2)CCC1=O ZINC000710013843 962213503 /nfs/dbraw/zinc/21/35/03/962213503.db2.gz HTGZQZRKJUQJBB-SECBINFHSA-N 1 2 224.329 1.597 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(O)cn1 ZINC000132633897 962463478 /nfs/dbraw/zinc/46/34/78/962463478.db2.gz QMMUNEUCCIWXRN-NSHDSACASA-N 1 2 222.288 1.398 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(O)cn1 ZINC000132633897 962463494 /nfs/dbraw/zinc/46/34/94/962463494.db2.gz QMMUNEUCCIWXRN-NSHDSACASA-N 1 2 222.288 1.398 20 0 BDADLO CC(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001269201255 962520102 /nfs/dbraw/zinc/52/01/02/962520102.db2.gz UUOFIJUVGYEMLK-CYBMUJFWSA-N 1 2 247.342 1.428 20 0 BDADLO CC(C)C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001269201255 962520118 /nfs/dbraw/zinc/52/01/18/962520118.db2.gz UUOFIJUVGYEMLK-CYBMUJFWSA-N 1 2 247.342 1.428 20 0 BDADLO O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950116 962609099 /nfs/dbraw/zinc/60/90/99/962609099.db2.gz BEGNAUHRNNFHKF-XFWSIPNHSA-N 1 2 217.259 1.487 20 0 BDADLO O[C@@H]1CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950116 962609113 /nfs/dbraw/zinc/60/91/13/962609113.db2.gz BEGNAUHRNNFHKF-XFWSIPNHSA-N 1 2 217.259 1.487 20 0 BDADLO O[C@H]1CC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950107 962613288 /nfs/dbraw/zinc/61/32/88/962613288.db2.gz BEGNAUHRNNFHKF-JLIMGVALSA-N 1 2 217.259 1.487 20 0 BDADLO O[C@H]1CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950107 962613293 /nfs/dbraw/zinc/61/32/93/962613293.db2.gz BEGNAUHRNNFHKF-JLIMGVALSA-N 1 2 217.259 1.487 20 0 BDADLO Cc1c(F)ncnc1NCCn1cc[nH+]c1 ZINC000696321287 962722839 /nfs/dbraw/zinc/72/28/39/962722839.db2.gz PJBCOAOMDZHLBG-UHFFFAOYSA-N 1 2 221.239 1.233 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(F)(F)C1 ZINC001154302061 962745152 /nfs/dbraw/zinc/74/51/52/962745152.db2.gz YREIHNJDSKAOHX-UHFFFAOYSA-N 1 2 229.230 1.175 20 0 BDADLO C[N@@H+]1CCC12CN(C(=O)c1cccc(F)c1)C2 ZINC001269717026 962772263 /nfs/dbraw/zinc/77/22/63/962772263.db2.gz KYMABUJRMSXCRS-UHFFFAOYSA-N 1 2 234.274 1.356 20 0 BDADLO C[N@H+]1CCC12CN(C(=O)c1cccc(F)c1)C2 ZINC001269717026 962772271 /nfs/dbraw/zinc/77/22/71/962772271.db2.gz KYMABUJRMSXCRS-UHFFFAOYSA-N 1 2 234.274 1.356 20 0 BDADLO CC(C)c1ccc(N2CCn3nncc3C2)[nH+]c1 ZINC001154817337 962856444 /nfs/dbraw/zinc/85/64/44/962856444.db2.gz GUQGAOOOTMLBNJ-UHFFFAOYSA-N 1 2 243.314 1.817 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)CC[C@@H]1CO ZINC001204383272 962890490 /nfs/dbraw/zinc/89/04/90/962890490.db2.gz CIFWNMDMNCSIBY-SECBINFHSA-N 1 2 245.273 1.012 20 0 BDADLO NC(=O)C1(Nc2cc3ccccc3c[nH+]2)CC1 ZINC001155086529 962968259 /nfs/dbraw/zinc/96/82/59/962968259.db2.gz VIHZYTYHNOKDDB-UHFFFAOYSA-N 1 2 227.267 1.665 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1cncc(-n2cncn2)n1 ZINC001155181565 963003653 /nfs/dbraw/zinc/00/36/53/963003653.db2.gz KRWLMYCQJKGPNV-UHFFFAOYSA-N 1 2 245.290 1.493 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1nccc2c1NC(=O)CO2 ZINC001155181119 963004862 /nfs/dbraw/zinc/00/48/62/963004862.db2.gz IJKYKWQJCVBBQQ-UHFFFAOYSA-N 1 2 248.286 1.848 20 0 BDADLO CN(C)c1cc(NCc2ccccc2N)[nH+]cn1 ZINC001155981767 963220752 /nfs/dbraw/zinc/22/07/52/963220752.db2.gz SXWPPMRVRJBVGN-UHFFFAOYSA-N 1 2 243.314 1.737 20 0 BDADLO CN(C)c1cc(NCc2ccccc2N)nc[nH+]1 ZINC001155981767 963220769 /nfs/dbraw/zinc/22/07/69/963220769.db2.gz SXWPPMRVRJBVGN-UHFFFAOYSA-N 1 2 243.314 1.737 20 0 BDADLO Cc1nc(NCC2(CO)CCC2)c2c([nH+]1)CCC2 ZINC001156270443 963300797 /nfs/dbraw/zinc/30/07/97/963300797.db2.gz BHSIUCRUIKPURY-UHFFFAOYSA-N 1 2 247.342 1.848 20 0 BDADLO COc1c[nH+]c(N[C@H](C)CCO)c(C)c1 ZINC001156446656 963348892 /nfs/dbraw/zinc/34/88/92/963348892.db2.gz JKVLSJDMSUCTMW-SECBINFHSA-N 1 2 210.277 1.581 20 0 BDADLO CSc1cc[nH+]c(N[C@@H]2CCN(C)C2=O)c1 ZINC001156508038 963376176 /nfs/dbraw/zinc/37/61/76/963376176.db2.gz IUBUESRGJSLYLJ-SECBINFHSA-N 1 2 237.328 1.446 20 0 BDADLO CCc1[nH]c(CNC(=O)c2c(C)ccn2C)c[nH+]1 ZINC001156538151 963378586 /nfs/dbraw/zinc/37/85/86/963378586.db2.gz NBGIPBCOTPMSKB-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO CCc1[nH]cc(CNC(=O)c2c(C)ccn2C)[nH+]1 ZINC001156538151 963378596 /nfs/dbraw/zinc/37/85/96/963378596.db2.gz NBGIPBCOTPMSKB-UHFFFAOYSA-N 1 2 246.314 1.549 20 0 BDADLO C[NH2+][C@H]1CCN1C(F)(F)c1cc(Cl)ncn1 ZINC001156639911 963424075 /nfs/dbraw/zinc/42/40/75/963424075.db2.gz YPRRKVKFQCSDIH-MRVPVSSYSA-N 1 2 248.664 1.431 20 0 BDADLO C[NH2+][C@H]1CCN1C(F)(F)c1nccnc1Cl ZINC001156659644 963429986 /nfs/dbraw/zinc/42/99/86/963429986.db2.gz NJSNJGKRCXEMCQ-ZCFIWIBFSA-N 1 2 248.664 1.431 20 0 BDADLO CN(C)c1cc(CSCCCO)cc[nH+]1 ZINC000840212291 963431283 /nfs/dbraw/zinc/43/12/83/963431283.db2.gz LUCVDNIROWCLID-UHFFFAOYSA-N 1 2 226.345 1.763 20 0 BDADLO Cc1cncc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756382 963453687 /nfs/dbraw/zinc/45/36/87/963453687.db2.gz WQRRTOMVSXURJB-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO Nc1cc(CNc2ncccn2)cc[nH+]1 ZINC001156756206 963454388 /nfs/dbraw/zinc/45/43/88/963454388.db2.gz SCXVEXRYRRXIFJ-UHFFFAOYSA-N 1 2 201.233 1.066 20 0 BDADLO COc1nccnc1NCc1cc[nH+]c(N)c1 ZINC001156755723 963455471 /nfs/dbraw/zinc/45/54/71/963455471.db2.gz JSMNOIATGPUBAJ-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO Cn1c[nH+]cc1CN1CC(F)(F)C[C@]1(C)CF ZINC001204384556 963456712 /nfs/dbraw/zinc/45/67/12/963456712.db2.gz YFZAVPVMHLBJIG-SNVBAGLBSA-N 1 2 247.264 1.989 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ncc[nH]1 ZINC001156800207 963466539 /nfs/dbraw/zinc/46/65/39/963466539.db2.gz RROLQQCFFYGPJJ-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CC(C)(CCO)Nc1ccc(Cl)c(N)[nH+]1 ZINC001156912429 963495117 /nfs/dbraw/zinc/49/51/17/963495117.db2.gz SXPIJBLWBNWJKI-UHFFFAOYSA-N 1 2 229.711 1.890 20 0 BDADLO Cc1nc(NC2(CO)CCCC2)c2c([nH+]1)CCC2 ZINC001157008404 963514909 /nfs/dbraw/zinc/51/49/09/963514909.db2.gz JKSCIJNKHYNDJE-UHFFFAOYSA-N 1 2 247.342 1.991 20 0 BDADLO CCSc1cc[nH+]c(N(C)CCO)c1 ZINC001157390706 963591789 /nfs/dbraw/zinc/59/17/89/963591789.db2.gz ZAETXCBIQKPPAJ-UHFFFAOYSA-N 1 2 212.318 1.622 20 0 BDADLO Cc1cc(NC2(CO)COC2)[nH+]c2ccccc12 ZINC001157392609 963593701 /nfs/dbraw/zinc/59/37/01/963593701.db2.gz MAGCSDSQEITOAJ-UHFFFAOYSA-N 1 2 244.294 1.716 20 0 BDADLO CCOC(=O)C1([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168074527 963611340 /nfs/dbraw/zinc/61/13/40/963611340.db2.gz JKUVLMXHZPQJDZ-ZJUUUORDSA-N 1 2 227.304 1.239 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1ccc(F)nn1 ZINC001157462597 963621558 /nfs/dbraw/zinc/62/15/58/963621558.db2.gz PMSXETIQRNDSNS-UHFFFAOYSA-N 1 2 235.266 1.339 20 0 BDADLO CN(C)c1cc(NC[C@H]2C[C@@](C)(O)C2)[nH+]cn1 ZINC001157555614 963659205 /nfs/dbraw/zinc/65/92/05/963659205.db2.gz NVYAMYWREAMYHD-WVSHTKLVSA-N 1 2 236.319 1.116 20 0 BDADLO CN(C)c1cc(NC[C@H]2C[C@@](C)(O)C2)nc[nH+]1 ZINC001157555614 963659211 /nfs/dbraw/zinc/65/92/11/963659211.db2.gz NVYAMYWREAMYHD-WVSHTKLVSA-N 1 2 236.319 1.116 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCO[C@H](C)C1 ZINC001168112827 963755023 /nfs/dbraw/zinc/75/50/23/963755023.db2.gz DMLJRBUBWVCPNX-RCWTZXSCSA-N 1 2 245.294 1.139 20 0 BDADLO CSc1cc[nH+]c(NCCn2cnnc2)c1 ZINC001158039656 963798478 /nfs/dbraw/zinc/79/84/78/963798478.db2.gz OHRWMWDIULOGBB-UHFFFAOYSA-N 1 2 235.316 1.507 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N[C@H]1COC(=O)C1 ZINC001158248768 963840410 /nfs/dbraw/zinc/84/04/10/963840410.db2.gz SDGWGWIZHJRATP-SECBINFHSA-N 1 2 249.270 1.076 20 0 BDADLO COc1ccc(CNc2[nH+]cccc2OC)nn1 ZINC001158550138 963884645 /nfs/dbraw/zinc/88/46/45/963884645.db2.gz UCKDWIKZUNATBS-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO COc1c[nH+]c(N[C@H]2CCCOC2)c(C)c1 ZINC001158713504 963908406 /nfs/dbraw/zinc/90/84/06/963908406.db2.gz KOWIDCXHTGRKQE-JTQLQIEISA-N 1 2 222.288 1.990 20 0 BDADLO Cc1ncc(CN(C)Cc2c[nH+]cn2C)cn1 ZINC001204387207 963950145 /nfs/dbraw/zinc/95/01/45/963950145.db2.gz IXTCACHIAJPCCV-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO OC[C@H]1C[C@@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001168242821 964050568 /nfs/dbraw/zinc/05/05/68/964050568.db2.gz DEPFTOKHRDRSAZ-JGZJWPJOSA-N 1 2 217.272 1.517 20 0 BDADLO COc1ccc2c(c1)C[C@H]([NH+]1CC(N(C)C)C1)C2 ZINC001168263890 964103975 /nfs/dbraw/zinc/10/39/75/964103975.db2.gz PWXNXZXREYBGOZ-CYBMUJFWSA-N 1 2 246.354 1.408 20 0 BDADLO CS[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001159861789 964213033 /nfs/dbraw/zinc/21/30/33/964213033.db2.gz RYRKVOSTNJFASX-SNVBAGLBSA-N 1 2 239.344 1.306 20 0 BDADLO COc1ccncc1-c1noc(C[NH+]2CCC2)n1 ZINC001212095317 964253972 /nfs/dbraw/zinc/25/39/72/964253972.db2.gz BCTZOLZFLPESOO-UHFFFAOYSA-N 1 2 246.270 1.346 20 0 BDADLO c1ccc(-c2noc(C[NH+]3CCC3)n2)nc1 ZINC001212095800 964259044 /nfs/dbraw/zinc/25/90/44/964259044.db2.gz VGJJGAHNPDKQAB-UHFFFAOYSA-N 1 2 216.244 1.337 20 0 BDADLO COC(C[N@H+](C)Cc1cnc(C)o1)OC ZINC000714647239 964290293 /nfs/dbraw/zinc/29/02/93/964290293.db2.gz HYGBGZMWSDRECP-UHFFFAOYSA-N 1 2 214.265 1.034 20 0 BDADLO COC(C[N@@H+](C)Cc1cnc(C)o1)OC ZINC000714647239 964290305 /nfs/dbraw/zinc/29/03/05/964290305.db2.gz HYGBGZMWSDRECP-UHFFFAOYSA-N 1 2 214.265 1.034 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)o1 ZINC001204389599 964338074 /nfs/dbraw/zinc/33/80/74/964338074.db2.gz SPLUIYCPTVYGTN-GHMZBOCLSA-N 1 2 241.306 1.994 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)o1 ZINC001204389599 964338083 /nfs/dbraw/zinc/33/80/83/964338083.db2.gz SPLUIYCPTVYGTN-GHMZBOCLSA-N 1 2 241.306 1.994 20 0 BDADLO CCN(C(=O)[C@@]1(C)CC=CCC1)C1C[NH+](C)C1 ZINC001142547572 964379406 /nfs/dbraw/zinc/37/94/06/964379406.db2.gz AMBAUOPPLHBHPP-AWEZNQCLSA-N 1 2 236.359 1.895 20 0 BDADLO CC(C)[NH+]1CC(Nc2ncncc2F)C1 ZINC001168317923 964435908 /nfs/dbraw/zinc/43/59/08/964435908.db2.gz VNGOQMRGZGIZIK-UHFFFAOYSA-N 1 2 210.256 1.120 20 0 BDADLO C[C@@]1(O)C[C@H](CNc2ccc3c([nH+]2)CCOC3)C1 ZINC001168340917 964482547 /nfs/dbraw/zinc/48/25/47/964482547.db2.gz WWSXJQRGFULMPA-WJONMLJTSA-N 1 2 248.326 1.727 20 0 BDADLO Cc1cc(C)c(C(=O)NCCc2cn(C)c[nH+]2)[nH]1 ZINC001161166615 964548759 /nfs/dbraw/zinc/54/87/59/964548759.db2.gz FVUZLXLDXGTLFY-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(F)F ZINC001161303841 964566841 /nfs/dbraw/zinc/56/68/41/964566841.db2.gz LNNLLWDHXHELNS-ZCFIWIBFSA-N 1 2 217.219 1.112 20 0 BDADLO CC[N@H+](CCO)Cc1occc1Br ZINC000379378073 964591595 /nfs/dbraw/zinc/59/15/95/964591595.db2.gz ZZIXHBZRVVGFMN-UHFFFAOYSA-N 1 2 248.120 1.856 20 0 BDADLO CC[N@@H+](CCO)Cc1occc1Br ZINC000379378073 964591598 /nfs/dbraw/zinc/59/15/98/964591598.db2.gz ZZIXHBZRVVGFMN-UHFFFAOYSA-N 1 2 248.120 1.856 20 0 BDADLO CC(=O)NCCNc1cc[nH+]c(OC(C)C)c1 ZINC001161658127 964668353 /nfs/dbraw/zinc/66/83/53/964668353.db2.gz HSSRBFGYCYYGDN-UHFFFAOYSA-N 1 2 237.303 1.417 20 0 BDADLO c1cn(CCCNc2cc3nc[nH]c3cn2)c[nH+]1 ZINC001161682342 964684852 /nfs/dbraw/zinc/68/48/52/964684852.db2.gz PSRZUYKNTUUSGZ-UHFFFAOYSA-N 1 2 242.286 1.657 20 0 BDADLO Cc1cc[nH+]c(N[C@@H]2CCO[C@H](C)C2)c1C(N)=O ZINC001161691531 964691632 /nfs/dbraw/zinc/69/16/32/964691632.db2.gz OWWOCYXFXXTCLQ-NXEZZACHSA-N 1 2 249.314 1.468 20 0 BDADLO Fc1c[nH+]ccc1NCc1cn2cccnc2n1 ZINC001161906107 964814309 /nfs/dbraw/zinc/81/43/09/964814309.db2.gz ZPQKNCFMRUGFEO-UHFFFAOYSA-N 1 2 243.245 1.297 20 0 BDADLO Cn1ccnc1CNc1ccn2cc(N)[nH+]c2c1 ZINC001161915407 964818967 /nfs/dbraw/zinc/81/89/67/964818967.db2.gz XEYBETKMVFKNLV-UHFFFAOYSA-N 1 2 242.286 1.262 20 0 BDADLO c1cn2ccc(NCC3COC3)cc2[nH+]1 ZINC001161947653 964833666 /nfs/dbraw/zinc/83/36/66/964833666.db2.gz SREGDVFDRNWWLH-UHFFFAOYSA-N 1 2 203.245 1.393 20 0 BDADLO COc1cc(C)c[nH+]c1NCCCn1cncn1 ZINC001161962158 964839661 /nfs/dbraw/zinc/83/96/61/964839661.db2.gz PIGVBJHGRYYUQW-UHFFFAOYSA-N 1 2 247.302 1.492 20 0 BDADLO Cc1nccnc1CNc1cc(N(C)C)nc[nH+]1 ZINC001161997322 964842246 /nfs/dbraw/zinc/84/22/46/964842246.db2.gz IIJUFYYIQGGMLV-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO Cc1nccnc1CNc1cc(N(C)C)[nH+]cn1 ZINC001161997322 964842249 /nfs/dbraw/zinc/84/22/49/964842249.db2.gz IIJUFYYIQGGMLV-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO C[C@@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001162073253 964846878 /nfs/dbraw/zinc/84/68/78/964846878.db2.gz DVYUURMJSPOPBE-VIFPVBQESA-N 1 2 242.282 1.675 20 0 BDADLO COc1cc[nH+]cc1NC[C@@H](O)c1ccco1 ZINC001162257271 964890187 /nfs/dbraw/zinc/89/01/87/964890187.db2.gz DWQMLEFZHJTVAV-SNVBAGLBSA-N 1 2 234.255 1.829 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2[C@@H](C)[C@H](C)O[C@H]2C)n1 ZINC000226763975 965246444 /nfs/dbraw/zinc/24/64/44/965246444.db2.gz OOJXPUDVJNVXSU-KBIXCLLPSA-N 1 2 239.319 1.706 20 0 BDADLO O=C(CCC1CC1)NC[C@@H]1CC[N@H+]1CCF ZINC001483637735 965341006 /nfs/dbraw/zinc/34/10/06/965341006.db2.gz BAHYSNAFNLIWDM-NSHDSACASA-N 1 2 228.311 1.337 20 0 BDADLO O=C(CCC1CC1)NC[C@@H]1CC[N@@H+]1CCF ZINC001483637735 965341013 /nfs/dbraw/zinc/34/10/13/965341013.db2.gz BAHYSNAFNLIWDM-NSHDSACASA-N 1 2 228.311 1.337 20 0 BDADLO Nc1cc(N2CC[C@H]([C@H]3CCCO3)C2)[nH+]cn1 ZINC001120959315 965460946 /nfs/dbraw/zinc/46/09/46/965460946.db2.gz IBJBXHVLACYQFS-VHSXEESVSA-N 1 2 234.303 1.064 20 0 BDADLO CN1CCN(c2ccc(C(C)(C)C)c[nH+]2)CC1=O ZINC001163637354 965490448 /nfs/dbraw/zinc/49/04/48/965490448.db2.gz KOHZNHSTQHIRAS-UHFFFAOYSA-N 1 2 247.342 1.658 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CCCOC1 ZINC001121231069 965524169 /nfs/dbraw/zinc/52/41/69/965524169.db2.gz HMKVDDKRJGFRPJ-GFCCVEGCSA-N 1 2 248.326 1.876 20 0 BDADLO Cc1c[nH+]c(N2CCN(C3COC3)CC2)c(C)c1 ZINC001163751476 965567994 /nfs/dbraw/zinc/56/79/94/965567994.db2.gz HTORBYMFXKEBQT-UHFFFAOYSA-N 1 2 247.342 1.219 20 0 BDADLO Cc1c(F)cc[nH+]c1N(C)Cc1ncccn1 ZINC001163923863 965638965 /nfs/dbraw/zinc/63/89/65/965638965.db2.gz WMSRDQDAHWOFSH-UHFFFAOYSA-N 1 2 232.262 1.956 20 0 BDADLO Cn1c(=O)cccc1[NH2+]CC(=O)C(C)(C)C ZINC001164005035 965688629 /nfs/dbraw/zinc/68/86/29/965688629.db2.gz LREKMKCZRXPPHU-UHFFFAOYSA-N 1 2 222.288 1.412 20 0 BDADLO O=S1(=O)C=C[C@@H](Nc2cccn3cc[nH+]c23)C1 ZINC001164016915 965695626 /nfs/dbraw/zinc/69/56/26/965695626.db2.gz YTAHTKFTDCSMRY-SECBINFHSA-N 1 2 249.295 1.057 20 0 BDADLO Cc1nonc1CNc1ccn2cc[nH+]c2c1 ZINC001164057185 965721203 /nfs/dbraw/zinc/72/12/03/965721203.db2.gz IBVGBPMVIKKYMS-UHFFFAOYSA-N 1 2 229.243 1.638 20 0 BDADLO CCc1nc(N2C[C@@H](C)C[C@H]2CO)cc(C)[nH+]1 ZINC001164154833 965765275 /nfs/dbraw/zinc/76/52/75/965765275.db2.gz ZSAOVNRVWXWDAT-ONGXEEELSA-N 1 2 235.331 1.555 20 0 BDADLO Cc1cc(NC[C@@H]2CCC(=O)N2)c[nH+]c1C ZINC001164166613 965772757 /nfs/dbraw/zinc/77/27/57/965772757.db2.gz GTIUUAWISMRIOH-JTQLQIEISA-N 1 2 219.288 1.389 20 0 BDADLO C[C@]1(F)CCN(c2cc(N)nc[nH+]2)C[C@H]1F ZINC001164340638 965848918 /nfs/dbraw/zinc/84/89/18/965848918.db2.gz ZMBYGCXCDAXHFG-XCBNKYQSSA-N 1 2 228.246 1.335 20 0 BDADLO Nc1ccc(N2CC(F)(F)C[C@H]2CF)[nH+]c1 ZINC001164521380 965900108 /nfs/dbraw/zinc/90/01/08/965900108.db2.gz IPIDDQYOEATFIN-QMMMGPOBSA-N 1 2 231.221 1.847 20 0 BDADLO Cc1c[nH+]c(N2CC(C)(F)C2)nc1NC1CC1 ZINC001164582502 965926389 /nfs/dbraw/zinc/92/63/89/965926389.db2.gz RWAPWRNIIHRWBP-UHFFFAOYSA-N 1 2 236.294 1.908 20 0 BDADLO CSCc1cc[nH+]c(N2CC[C@@](C)(O)C2)c1 ZINC001165232053 965996552 /nfs/dbraw/zinc/99/65/52/965996552.db2.gz PWZRGXPUTJVDPU-GFCCVEGCSA-N 1 2 238.356 1.906 20 0 BDADLO CCC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106649605 966031278 /nfs/dbraw/zinc/03/12/78/966031278.db2.gz XXBQGCKZKIIALH-UHFFFAOYSA-N 1 2 236.319 1.455 20 0 BDADLO Cc1nc(N2CCCC(=O)CC2)c2c([nH+]1)CCC2 ZINC001165465861 966101296 /nfs/dbraw/zinc/10/12/96/966101296.db2.gz GPSNTNUUEFQROW-UHFFFAOYSA-N 1 2 245.326 1.833 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N(C)c1ccccc1OC ZINC001165645033 966143583 /nfs/dbraw/zinc/14/35/83/966143583.db2.gz KMLBZHAIQOHDHI-GFCCVEGCSA-N 1 2 248.326 1.752 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N(C)c1ccccc1OC ZINC001165645033 966143591 /nfs/dbraw/zinc/14/35/91/966143591.db2.gz KMLBZHAIQOHDHI-GFCCVEGCSA-N 1 2 248.326 1.752 20 0 BDADLO CSc1cc(N[C@@H](C)CCO)nc(C)[nH+]1 ZINC001165858699 966172510 /nfs/dbraw/zinc/17/25/10/966172510.db2.gz NLTJJMYFNVXEQO-ZETCQYMHSA-N 1 2 227.333 1.690 20 0 BDADLO O=C([C@@H]1C[C@@H]1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001123644572 966232839 /nfs/dbraw/zinc/23/28/39/966232839.db2.gz LVHFXYWPASUJGI-AEJSXWLSSA-N 1 2 237.278 1.474 20 0 BDADLO CNc1ccc(Nc2ncncc2C)c[nH+]1 ZINC001203454610 966236744 /nfs/dbraw/zinc/23/67/44/966236744.db2.gz GIEGIQZXYKOILZ-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H](CO)C1 ZINC001166549854 966298823 /nfs/dbraw/zinc/29/88/23/966298823.db2.gz LNAXXPZODUSMGC-LLVKDONJSA-N 1 2 249.314 1.167 20 0 BDADLO CCN(CCC(N)=O)c1cccc(C2CC2)[nH+]1 ZINC001166589884 966316359 /nfs/dbraw/zinc/31/63/59/966316359.db2.gz PLVLNOMUWJUCJP-UHFFFAOYSA-N 1 2 233.315 1.661 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C(C)(C)C)[nH+]1 ZINC001142777930 966374523 /nfs/dbraw/zinc/37/45/23/966374523.db2.gz KQZNDRRUQVBDTN-UHFFFAOYSA-N 1 2 209.293 1.423 20 0 BDADLO CCN(OC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001124034730 966363755 /nfs/dbraw/zinc/36/37/55/966363755.db2.gz ADIPKIQCYXERBD-SECBINFHSA-N 1 2 211.265 1.244 20 0 BDADLO CCc1nc(N2C[C@@H]3C[C@H]2CO3)cc(C)[nH+]1 ZINC001166755407 966395580 /nfs/dbraw/zinc/39/55/80/966395580.db2.gz MLZUUZVZZWUNNH-UWVGGRQHSA-N 1 2 219.288 1.325 20 0 BDADLO Cc1c[nH+]c(N2CC3(CCO3)C2)nc1NC(C)C ZINC001166940076 966456451 /nfs/dbraw/zinc/45/64/51/966456451.db2.gz SWBKOGFMQLEEDA-UHFFFAOYSA-N 1 2 248.330 1.584 20 0 BDADLO Nc1ccc(N2C[C@H]3CC[C@@H](C2)C3=O)[nH+]c1 ZINC001166946496 966468801 /nfs/dbraw/zinc/46/88/01/966468801.db2.gz WHRIGRBBXKRYLN-DTORHVGOSA-N 1 2 217.272 1.079 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H]2CC[C@@H](C1)C2=O ZINC001166947422 966473365 /nfs/dbraw/zinc/47/33/65/966473365.db2.gz OGZFXCXDTKSRDM-PHIMTYICSA-N 1 2 231.299 1.509 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCN2C(=O)CC[C@@H]2C1 ZINC001166953546 966482133 /nfs/dbraw/zinc/48/21/33/966482133.db2.gz KXBAVDXBWYLQAS-SNVBAGLBSA-N 1 2 249.289 1.340 20 0 BDADLO Nc1ccc[nH+]c1N1CCC(=O)C(F)(F)C1 ZINC001166974630 966494777 /nfs/dbraw/zinc/49/47/77/966494777.db2.gz MLTVAJJXXUGWNV-UHFFFAOYSA-N 1 2 227.214 1.078 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CCN(C)C(=O)[C@@H]1C ZINC001167035298 966526614 /nfs/dbraw/zinc/52/66/14/966526614.db2.gz AXKGRIJWGPBEAN-VIFPVBQESA-N 1 2 237.278 1.196 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001203205950 966545456 /nfs/dbraw/zinc/54/54/56/966545456.db2.gz KCZXYXXTQZHMKT-GXSJLCMTSA-N 1 2 206.293 1.569 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001203205950 966545462 /nfs/dbraw/zinc/54/54/62/966545462.db2.gz KCZXYXXTQZHMKT-GXSJLCMTSA-N 1 2 206.293 1.569 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cccn1C ZINC001203266935 966593011 /nfs/dbraw/zinc/59/30/11/966593011.db2.gz AZQDSKWZEWZFRI-LBPRGKRZSA-N 1 2 238.331 1.655 20 0 BDADLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cccn1C ZINC001203266935 966593016 /nfs/dbraw/zinc/59/30/16/966593016.db2.gz AZQDSKWZEWZFRI-LBPRGKRZSA-N 1 2 238.331 1.655 20 0 BDADLO Cc1ccc(Nc2ccnc(C(N)=O)c2)c(C)[nH+]1 ZINC001203370765 966618786 /nfs/dbraw/zinc/61/87/86/966618786.db2.gz UUKXTUSSTQGFIN-UHFFFAOYSA-N 1 2 242.282 1.358 20 0 BDADLO CNc1ccc(Nc2ccc(C(N)=O)nc2)c[nH+]1 ZINC001203448860 966648872 /nfs/dbraw/zinc/64/88/72/966648872.db2.gz NZFQFMTXSSATCX-UHFFFAOYSA-N 1 2 243.270 1.361 20 0 BDADLO CNc1ccc(Nc2cncc(N)n2)c[nH+]1 ZINC001203448686 966649535 /nfs/dbraw/zinc/64/95/35/966649535.db2.gz FYFMWOAQPHUBPG-UHFFFAOYSA-N 1 2 216.248 1.239 20 0 BDADLO CNc1ccc(Nc2ncn(C)c2C)c[nH+]1 ZINC001203452154 966653585 /nfs/dbraw/zinc/65/35/85/966653585.db2.gz GVEYTOIRVRTRMU-UHFFFAOYSA-N 1 2 217.276 1.909 20 0 BDADLO CNc1ccc(Nc2cnn(COC)c2)c[nH+]1 ZINC001203453151 966658518 /nfs/dbraw/zinc/65/85/18/966658518.db2.gz WWPYTLQHROJUTB-UHFFFAOYSA-N 1 2 233.275 1.667 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2c(N)cnn2CCO)c1 ZINC001203656395 966714872 /nfs/dbraw/zinc/71/48/72/966714872.db2.gz QHCSWLYOABNTLJ-UHFFFAOYSA-N 1 2 247.302 1.213 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2ccc(C(N)=O)nc2)c1 ZINC001203656660 966719020 /nfs/dbraw/zinc/71/90/20/966719020.db2.gz ZLMWZMHXICULKL-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO Cc1ncncc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001238164068 966727571 /nfs/dbraw/zinc/72/75/71/966727571.db2.gz JOVLPCRMHCSXDJ-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncncc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001238164068 966727591 /nfs/dbraw/zinc/72/75/91/966727591.db2.gz JOVLPCRMHCSXDJ-AOOOYVTPSA-N 1 2 221.304 1.394 20 0 BDADLO COc1ccc(C[NH2+]Cc2c[nH]cn2)cc1F ZINC000112340005 966740261 /nfs/dbraw/zinc/74/02/61/966740261.db2.gz ZMIUZNCYTXMOOR-UHFFFAOYSA-N 1 2 235.262 1.847 20 0 BDADLO CCOc1ccc(C)c(C[NH+]2CC(C)(O)C2)c1 ZINC001238704684 966776968 /nfs/dbraw/zinc/77/69/68/966776968.db2.gz KYBOVYPETLGBAN-UHFFFAOYSA-N 1 2 235.327 1.960 20 0 BDADLO CC(=O)Oc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC001203945804 966829379 /nfs/dbraw/zinc/82/93/79/966829379.db2.gz RKANKMMYGAJURN-UHFFFAOYSA-N 1 2 235.283 1.179 20 0 BDADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001203980548 966837785 /nfs/dbraw/zinc/83/77/85/966837785.db2.gz ZAIFPGUQPHJHCN-LBPRGKRZSA-N 1 2 243.310 1.845 20 0 BDADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001203980548 966837787 /nfs/dbraw/zinc/83/77/87/966837787.db2.gz ZAIFPGUQPHJHCN-LBPRGKRZSA-N 1 2 243.310 1.845 20 0 BDADLO Cc1cnc2c(c1)C[N@@H+](Cc1ncc[nH]1)CC2 ZINC001203981335 966839210 /nfs/dbraw/zinc/83/92/10/966839210.db2.gz LCKMIZQHTVQCDN-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1cnc2c(c1)C[N@H+](Cc1ncc[nH]1)CC2 ZINC001203981335 966839214 /nfs/dbraw/zinc/83/92/14/966839214.db2.gz LCKMIZQHTVQCDN-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC001203983925 966842315 /nfs/dbraw/zinc/84/23/15/966842315.db2.gz SZUQASNNFJBYGS-MRVPVSSYSA-N 1 2 215.247 1.887 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC001203983925 966842320 /nfs/dbraw/zinc/84/23/20/966842320.db2.gz SZUQASNNFJBYGS-MRVPVSSYSA-N 1 2 215.247 1.887 20 0 BDADLO O=S1CC2(C[NH+](Cc3cccs3)C2)C1 ZINC001204015017 966856118 /nfs/dbraw/zinc/85/61/18/966856118.db2.gz UYCPXLOFQIVTEI-UHFFFAOYSA-N 1 2 227.354 1.312 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204050931 966871822 /nfs/dbraw/zinc/87/18/22/966871822.db2.gz BEMXPLMATMBNCL-SNVBAGLBSA-N 1 2 223.247 1.959 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204050931 966871827 /nfs/dbraw/zinc/87/18/27/966871827.db2.gz BEMXPLMATMBNCL-SNVBAGLBSA-N 1 2 223.247 1.959 20 0 BDADLO O=C1C[N@H+](Cc2ccccn2)CC2(CCCC2)N1 ZINC001204064799 966875600 /nfs/dbraw/zinc/87/56/00/966875600.db2.gz DPWVJTJQDVRRFQ-UHFFFAOYSA-N 1 2 245.326 1.326 20 0 BDADLO O=C1C[N@@H+](Cc2ccccn2)CC2(CCCC2)N1 ZINC001204064799 966875604 /nfs/dbraw/zinc/87/56/04/966875604.db2.gz DPWVJTJQDVRRFQ-UHFFFAOYSA-N 1 2 245.326 1.326 20 0 BDADLO Cc1cccc(C[N@@H+]2CCc3cnn(C)c3C2)n1 ZINC001204070565 966879170 /nfs/dbraw/zinc/87/91/70/966879170.db2.gz NUWLVFSNSMXXCA-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc(C[N@H+]2CCc3cnn(C)c3C2)n1 ZINC001204070565 966879175 /nfs/dbraw/zinc/87/91/75/966879175.db2.gz NUWLVFSNSMXXCA-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cccc(C)n2)C[C@H]1C ZINC001204070912 966881397 /nfs/dbraw/zinc/88/13/97/966881397.db2.gz TTXJWEPPQGEEAS-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)C[C@H]1C ZINC001204070912 966881404 /nfs/dbraw/zinc/88/14/04/966881404.db2.gz TTXJWEPPQGEEAS-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc(O)cc1 ZINC001204090781 966889798 /nfs/dbraw/zinc/88/97/98/966889798.db2.gz JXSZAQHBNDCLNB-JTQLQIEISA-N 1 2 219.284 1.946 20 0 BDADLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc(O)cc1 ZINC001204090781 966889801 /nfs/dbraw/zinc/88/98/01/966889801.db2.gz JXSZAQHBNDCLNB-JTQLQIEISA-N 1 2 219.284 1.946 20 0 BDADLO OCc1nnc(C[NH2+]C2CCCCCC2)[nH]1 ZINC001204135833 966897347 /nfs/dbraw/zinc/89/73/47/966897347.db2.gz IIZPGHHYJNUVEV-UHFFFAOYSA-N 1 2 224.308 1.109 20 0 BDADLO c1nnc(C[NH2+]Cc2cccc(C3CC3)c2)[nH]1 ZINC000094519220 966914235 /nfs/dbraw/zinc/91/42/35/966914235.db2.gz SJJHUQPETATJOO-UHFFFAOYSA-N 1 2 228.299 1.972 20 0 BDADLO CCc1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001204176031 966918695 /nfs/dbraw/zinc/91/86/95/966918695.db2.gz KRMRDDCLGSPJBY-UHFFFAOYSA-N 1 2 249.379 1.813 20 0 BDADLO OCc1ccc(Nc2cccc3[nH+]ccn32)cn1 ZINC001212369147 966923349 /nfs/dbraw/zinc/92/33/49/966923349.db2.gz UEMQAZMABUACKR-UHFFFAOYSA-N 1 2 240.266 1.965 20 0 BDADLO Cc1cc(CN2CC3(CC[N@H+]3C)C2)sn1 ZINC001276456032 966974051 /nfs/dbraw/zinc/97/40/51/966974051.db2.gz SXBSTRDKPDUIPZ-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1cc(CN2CC3(CC[N@@H+]3C)C2)sn1 ZINC001276456032 966974061 /nfs/dbraw/zinc/97/40/61/966974061.db2.gz SXBSTRDKPDUIPZ-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1ccc2c(N)n(-c3ccc[nH+]c3N)nc2n1 ZINC001212391276 967002790 /nfs/dbraw/zinc/00/27/90/967002790.db2.gz KBKZIZJYSGPBDV-UHFFFAOYSA-N 1 2 240.270 1.288 20 0 BDADLO Cc1c(F)cccc1C[NH+]1CC(C)(O)C1 ZINC001204506999 967007146 /nfs/dbraw/zinc/00/71/46/967007146.db2.gz PZQLDOALPAIVIY-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO Cc1cc(Nc2cnc[nH]c2=O)c[nH+]c1N ZINC001249785877 967063993 /nfs/dbraw/zinc/06/39/93/967063993.db2.gz HEHUYNJSDMTVEW-UHFFFAOYSA-N 1 2 217.232 1.211 20 0 BDADLO CSc1cc(N)n(-c2c[nH+]c(N)c(C)c2)n1 ZINC001249786550 967064200 /nfs/dbraw/zinc/06/42/00/967064200.db2.gz VPAUDYLAFASODB-UHFFFAOYSA-N 1 2 235.316 1.462 20 0 BDADLO CCOC(=O)[C@]12C[C@H]1CCN2Cc1[nH]c[nH+]c1C ZINC001204587354 967076246 /nfs/dbraw/zinc/07/62/46/967076246.db2.gz BIKDURIAUVEULB-MFKMUULPSA-N 1 2 249.314 1.246 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCOC2(CC2)C1 ZINC001204594620 967087295 /nfs/dbraw/zinc/08/72/95/967087295.db2.gz MSCFVOXTXZLWLE-UHFFFAOYSA-N 1 2 207.277 1.083 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCO[C@H](C(F)(F)F)C1 ZINC001204592321 967088181 /nfs/dbraw/zinc/08/81/81/967088181.db2.gz NPZLBJWXVCENEW-VIFPVBQESA-N 1 2 249.236 1.481 20 0 BDADLO Cc1[nH+]c[nH]c1CN1Cc2ccncc2C1 ZINC001204590974 967089373 /nfs/dbraw/zinc/08/93/73/967089373.db2.gz VFHBJDCUFGPATG-UHFFFAOYSA-N 1 2 214.272 1.629 20 0 BDADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1[nH]cnc1C ZINC001204592600 967093286 /nfs/dbraw/zinc/09/32/86/967093286.db2.gz NZTJDMYJLMRSJR-GFCCVEGCSA-N 1 2 221.304 1.662 20 0 BDADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1[nH]cnc1C ZINC001204592600 967093295 /nfs/dbraw/zinc/09/32/95/967093295.db2.gz NZTJDMYJLMRSJR-GFCCVEGCSA-N 1 2 221.304 1.662 20 0 BDADLO Cc1[nH+]cn(-c2ccc(NC#N)nn2)c1C ZINC001168627572 967126888 /nfs/dbraw/zinc/12/68/88/967126888.db2.gz GPZJJQOZNZJXQJ-UHFFFAOYSA-N 1 2 214.232 1.172 20 0 BDADLO CCOC(=O)C(=O)Cc1ccn2cc[nH+]c2c1 ZINC001249914598 967153360 /nfs/dbraw/zinc/15/33/60/967153360.db2.gz MNJSVRSCULTBEK-UHFFFAOYSA-N 1 2 232.239 1.009 20 0 BDADLO NC(=O)c1cnoc1Nc1ccn2cc[nH+]c2c1 ZINC001204966468 967267193 /nfs/dbraw/zinc/26/71/93/967267193.db2.gz UJQHOXWHHZSEIW-UHFFFAOYSA-N 1 2 243.226 1.165 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(C)c2)CCCC1=O ZINC001204970148 967267495 /nfs/dbraw/zinc/26/74/95/967267495.db2.gz QRXLSAGEOILFMC-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCCC1=O ZINC001204970148 967267503 /nfs/dbraw/zinc/26/75/03/967267503.db2.gz QRXLSAGEOILFMC-SNVBAGLBSA-N 1 2 221.304 1.221 20 0 BDADLO CCOc1cc(C[N@H+](C)CCF)ccn1 ZINC001250019273 967276343 /nfs/dbraw/zinc/27/63/43/967276343.db2.gz NZTLFTLDZLTLAC-UHFFFAOYSA-N 1 2 212.268 1.882 20 0 BDADLO CCOc1cc(C[N@@H+](C)CCF)ccn1 ZINC001250019273 967276344 /nfs/dbraw/zinc/27/63/44/967276344.db2.gz NZTLFTLDZLTLAC-UHFFFAOYSA-N 1 2 212.268 1.882 20 0 BDADLO CN(C)c1ncc(-c2cccc3[nH+]ccn32)cn1 ZINC001205005223 967285909 /nfs/dbraw/zinc/28/59/09/967285909.db2.gz QPCROXLVMSDTBT-UHFFFAOYSA-N 1 2 239.282 1.857 20 0 BDADLO Cn1cc(C[N@@H+]2CCc3cccnc3C2)cn1 ZINC001205015520 967290397 /nfs/dbraw/zinc/29/03/97/967290397.db2.gz OBVGJGCPCSOYKB-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO c1nn(CC[NH+]2CCOCC2)cc1C1CCCC1 ZINC001250040113 967290273 /nfs/dbraw/zinc/29/02/73/967290273.db2.gz DCFPPWGNKNMZMU-UHFFFAOYSA-N 1 2 249.358 1.873 20 0 BDADLO Cn1cc(C[N@H+]2CCc3cccnc3C2)cn1 ZINC001205015520 967290403 /nfs/dbraw/zinc/29/04/03/967290403.db2.gz OBVGJGCPCSOYKB-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2nc[nH]c21 ZINC001205074990 967325815 /nfs/dbraw/zinc/32/58/15/967325815.db2.gz DJWCZJCLCANFGG-JQWIXIFHSA-N 1 2 244.342 1.875 20 0 BDADLO Cn1ccnc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001205103367 967348264 /nfs/dbraw/zinc/34/82/64/967348264.db2.gz BZIULZPBLYXCMT-SECBINFHSA-N 1 2 247.264 1.989 20 0 BDADLO Cn1ccnc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001205103367 967348279 /nfs/dbraw/zinc/34/82/79/967348279.db2.gz BZIULZPBLYXCMT-SECBINFHSA-N 1 2 247.264 1.989 20 0 BDADLO c1cc(N2CCOCC2)[nH+]cc1C[C@@H]1CCCO1 ZINC001250100723 967370153 /nfs/dbraw/zinc/37/01/53/967370153.db2.gz GNEZFEPTFAHGIU-ZDUSSCGKSA-N 1 2 248.326 1.640 20 0 BDADLO Nc1[nH+]cccc1CC(=O)Oc1ccccc1 ZINC001250258612 967567889 /nfs/dbraw/zinc/56/78/89/967567889.db2.gz LZSLBAWUCGSUTA-UHFFFAOYSA-N 1 2 228.251 1.812 20 0 BDADLO CCCn1nc(C)cc1CC[NH+]1CCOCC1 ZINC001250275328 967602553 /nfs/dbraw/zinc/60/25/53/967602553.db2.gz GPXOEFXQYCOZPX-UHFFFAOYSA-N 1 2 237.347 1.476 20 0 BDADLO CC(=O)Nc1ccccc1CC[NH+]1CCOCC1 ZINC001250274682 967603418 /nfs/dbraw/zinc/60/34/18/967603418.db2.gz QIYPPDSLTLTHMU-UHFFFAOYSA-N 1 2 248.326 1.520 20 0 BDADLO CCn1cc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)cn1 ZINC001205513449 967648992 /nfs/dbraw/zinc/64/89/92/967648992.db2.gz HEGSBSLBLOZXTK-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO CCn1cc(C[N@H+]2CCCC(=O)[C@@H](C)C2)cn1 ZINC001205513449 967649015 /nfs/dbraw/zinc/64/90/15/967649015.db2.gz HEGSBSLBLOZXTK-NSHDSACASA-N 1 2 235.331 1.704 20 0 BDADLO Cc1[nH+]cccc1NC[C@H]1CC(=O)N(C)C1 ZINC001168728731 967669469 /nfs/dbraw/zinc/66/94/69/967669469.db2.gz ZDOGGJMMUFUGEL-SNVBAGLBSA-N 1 2 219.288 1.280 20 0 BDADLO CCOc1ncccc1CCn1cc[nH+]c1 ZINC001250315274 967676757 /nfs/dbraw/zinc/67/67/57/967676757.db2.gz HPUGRRGQNXWYGE-UHFFFAOYSA-N 1 2 217.272 1.920 20 0 BDADLO Cc1nnc(Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001250336659 967721547 /nfs/dbraw/zinc/72/15/47/967721547.db2.gz PCUHZKKEDRGJSI-UHFFFAOYSA-N 1 2 218.260 1.430 20 0 BDADLO c1cn2cc(Cc3ncccn3)ccc2[nH+]1 ZINC001250344226 967738036 /nfs/dbraw/zinc/73/80/36/967738036.db2.gz YQAYOTGYUMLDOR-UHFFFAOYSA-N 1 2 210.240 1.715 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1cnoc1)C2 ZINC001205677929 967769073 /nfs/dbraw/zinc/76/90/73/967769073.db2.gz QZGZVXDSTXJGEF-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1cnoc1)C2 ZINC001205677929 967769081 /nfs/dbraw/zinc/76/90/81/967769081.db2.gz QZGZVXDSTXJGEF-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO COC[C@@]1(c2nc(C(C)C)no2)CCCC[NH2+]1 ZINC000701283985 967810123 /nfs/dbraw/zinc/81/01/23/967810123.db2.gz IUDMMGNEVQYNMF-GFCCVEGCSA-N 1 2 239.319 1.808 20 0 BDADLO Cc1cccnc1C[N@H+](C)Cc1cncnc1 ZINC001205821568 967837723 /nfs/dbraw/zinc/83/77/23/967837723.db2.gz VIEGNUFSRCJNGY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cccnc1C[N@@H+](C)Cc1cncnc1 ZINC001205821568 967837724 /nfs/dbraw/zinc/83/77/24/967837724.db2.gz VIEGNUFSRCJNGY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Nc1ncccc1C[NH2+][C@H]1CCn2ccnc21 ZINC001205924075 967889115 /nfs/dbraw/zinc/88/91/15/967889115.db2.gz HNTDLLUAZBTGBE-JTQLQIEISA-N 1 2 229.287 1.095 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)nn1C ZINC001205940926 967894758 /nfs/dbraw/zinc/89/47/58/967894758.db2.gz DXIQNHMCOUMDGY-LBPRGKRZSA-N 1 2 221.304 1.282 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)nn1C ZINC001205940926 967894759 /nfs/dbraw/zinc/89/47/59/967894759.db2.gz DXIQNHMCOUMDGY-LBPRGKRZSA-N 1 2 221.304 1.282 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000697742676 968035301 /nfs/dbraw/zinc/03/53/01/968035301.db2.gz RSVLHHPIWVGWRT-SECBINFHSA-N 1 2 211.305 1.860 20 0 BDADLO CCOCC[NH+]1CC(NC(=O)C[C@H](C)CC)C1 ZINC001494377018 968014093 /nfs/dbraw/zinc/01/40/93/968014093.db2.gz GJTNNFWSKWWKRA-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(Nc2ccn(C)c(=O)c2)nc(C)[nH+]1 ZINC001206063293 968031518 /nfs/dbraw/zinc/03/15/18/968031518.db2.gz QJUCKMHXIWCXDI-UHFFFAOYSA-N 1 2 230.271 1.536 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2cscn2)C1 ZINC001137597900 968062896 /nfs/dbraw/zinc/06/28/96/968062896.db2.gz VOMVUEGMZLUDHU-MRVPVSSYSA-N 1 2 212.318 1.610 20 0 BDADLO CCN(C)c1ccc(Cn2cncn2)c[nH+]1 ZINC001163582615 968069709 /nfs/dbraw/zinc/06/97/09/968069709.db2.gz JLTINOIFELQMGI-UHFFFAOYSA-N 1 2 217.276 1.178 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CC[C@](N)(C(F)(F)F)C1 ZINC001206223719 968149294 /nfs/dbraw/zinc/14/92/94/968149294.db2.gz XIYLJNNOQJTKAJ-SECBINFHSA-N 1 2 248.252 1.184 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc[nH]2)C1 ZINC001206221814 968151756 /nfs/dbraw/zinc/15/17/56/968151756.db2.gz KQMKJROBLGZNFR-SECBINFHSA-N 1 2 233.237 1.480 20 0 BDADLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc[nH]2)C1 ZINC001206221814 968151765 /nfs/dbraw/zinc/15/17/65/968151765.db2.gz KQMKJROBLGZNFR-SECBINFHSA-N 1 2 233.237 1.480 20 0 BDADLO CC[NH+]1CC(O[C@@H](C)C(=O)OC(C)(C)C)C1 ZINC001206241061 968162167 /nfs/dbraw/zinc/16/21/67/968162167.db2.gz CMAUTSDEDVIYCF-VIFPVBQESA-N 1 2 229.320 1.437 20 0 BDADLO O[C@H](C[NH2+]CC(F)F)COc1cccc(F)c1 ZINC001250783551 968202048 /nfs/dbraw/zinc/20/20/48/968202048.db2.gz JUYZMQMESHQXDV-SECBINFHSA-N 1 2 249.232 1.420 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(=O)[C@H](C)CC1 ZINC001164367083 968224971 /nfs/dbraw/zinc/22/49/71/968224971.db2.gz YITZFSJWKSFASG-SECBINFHSA-N 1 2 233.315 1.899 20 0 BDADLO COc1cccnc1C[NH+]1CCSCC1 ZINC001206619203 968423549 /nfs/dbraw/zinc/42/35/49/968423549.db2.gz IENSBLFTDYYGMF-UHFFFAOYSA-N 1 2 224.329 1.639 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@H](O)c1ccccc1 ZINC001251980276 968424953 /nfs/dbraw/zinc/42/49/53/968424953.db2.gz OVNJRRFSIKIFLJ-NSHDSACASA-N 1 2 217.272 1.864 20 0 BDADLO O[C@H](C[NH+]1CC2(CCO2)C1)c1ccccc1 ZINC001251991117 968427275 /nfs/dbraw/zinc/42/72/75/968427275.db2.gz GWYINCSHTBJANJ-GFCCVEGCSA-N 1 2 219.284 1.195 20 0 BDADLO CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084790073 968430801 /nfs/dbraw/zinc/43/08/01/968430801.db2.gz KWIPPKGWOBCDRG-GHMZBOCLSA-N 1 2 242.338 1.535 20 0 BDADLO CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084790073 968430807 /nfs/dbraw/zinc/43/08/07/968430807.db2.gz KWIPPKGWOBCDRG-GHMZBOCLSA-N 1 2 242.338 1.535 20 0 BDADLO Nc1ccccc1CN1CCC(F)(F)[C@H]([NH3+])C1 ZINC001206703825 968437025 /nfs/dbraw/zinc/43/70/25/968437025.db2.gz NHWRRSJJVCFXON-LLVKDONJSA-N 1 2 241.285 1.437 20 0 BDADLO CCOC[C@H](O)CNc1c[nH+]c(C)cc1C ZINC001252018950 968440613 /nfs/dbraw/zinc/44/06/13/968440613.db2.gz YYZOFYYZZMKLDM-LLVKDONJSA-N 1 2 224.304 1.508 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccncc2F)CC[C@H]1F ZINC001206783987 968467918 /nfs/dbraw/zinc/46/79/18/968467918.db2.gz VSMXQWQYEFEFOK-MWLCHTKSSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccncc2F)CC[C@H]1F ZINC001206783987 968467922 /nfs/dbraw/zinc/46/79/22/968467922.db2.gz VSMXQWQYEFEFOK-MWLCHTKSSA-N 1 2 228.242 1.125 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206854818 968503138 /nfs/dbraw/zinc/50/31/38/968503138.db2.gz IQWTWSKAVVTYKX-QMMMGPOBSA-N 1 2 228.242 1.581 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206854818 968503147 /nfs/dbraw/zinc/50/31/47/968503147.db2.gz IQWTWSKAVVTYKX-QMMMGPOBSA-N 1 2 228.242 1.581 20 0 BDADLO Cc1ccccc1-c1noc([C@@]2([NH3+])CCOC2)n1 ZINC000085850495 968507987 /nfs/dbraw/zinc/50/79/87/968507987.db2.gz SMWMAAKMPIFDOH-CYBMUJFWSA-N 1 2 245.282 1.619 20 0 BDADLO c1cnc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)nc1 ZINC001207012914 968549034 /nfs/dbraw/zinc/54/90/34/968549034.db2.gz USLOLFNZVRCXIJ-NWDGAFQWSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)nc1 ZINC001207012914 968549040 /nfs/dbraw/zinc/54/90/40/968549040.db2.gz USLOLFNZVRCXIJ-NWDGAFQWSA-N 1 2 233.315 1.478 20 0 BDADLO Fc1cncc(C[N@@H+]2CCn3nccc3C2)c1 ZINC001207026159 968560875 /nfs/dbraw/zinc/56/08/75/968560875.db2.gz XSEMOHPBMFXRAE-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO Fc1cncc(C[N@H+]2CCn3nccc3C2)c1 ZINC001207026159 968560879 /nfs/dbraw/zinc/56/08/79/968560879.db2.gz XSEMOHPBMFXRAE-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO O[C@H]1C[N@H+](Cc2ncccc2F)CC[C@@H]1F ZINC001207026754 968562816 /nfs/dbraw/zinc/56/28/16/968562816.db2.gz OCZOSBIOXROLGG-ONGXEEELSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ncccc2F)CC[C@@H]1F ZINC001207026754 968562822 /nfs/dbraw/zinc/56/28/22/968562822.db2.gz OCZOSBIOXROLGG-ONGXEEELSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1F ZINC001207036854 968570522 /nfs/dbraw/zinc/57/05/22/968570522.db2.gz CVECFQLFJCKIQD-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO O[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1F ZINC001207036854 968570529 /nfs/dbraw/zinc/57/05/29/968570529.db2.gz CVECFQLFJCKIQD-MNOVXSKESA-N 1 2 228.242 1.125 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)s1 ZINC001207058778 968591910 /nfs/dbraw/zinc/59/19/10/968591910.db2.gz LMDQJJUYQKITFX-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)s1 ZINC001207058778 968591918 /nfs/dbraw/zinc/59/19/18/968591918.db2.gz LMDQJJUYQKITFX-ZJUUUORDSA-N 1 2 244.335 1.604 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001252119242 968603130 /nfs/dbraw/zinc/60/31/30/968603130.db2.gz VUJPGPZXGHBRML-QWRGUYRKSA-N 1 2 231.336 1.469 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ncc(F)cc2F)CC1 ZINC001207092488 968625562 /nfs/dbraw/zinc/62/55/62/968625562.db2.gz DBMPEQCJDVRVDP-SNVBAGLBSA-N 1 2 242.269 1.707 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ncc(F)cc2F)CC1 ZINC001207092488 968625572 /nfs/dbraw/zinc/62/55/72/968625572.db2.gz DBMPEQCJDVRVDP-SNVBAGLBSA-N 1 2 242.269 1.707 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CCc2nn(C)cc2C1 ZINC001207137687 968647829 /nfs/dbraw/zinc/64/78/29/968647829.db2.gz NRLOKXPBDHZIIS-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CCc2nn(C)cc2C1 ZINC001207137687 968647833 /nfs/dbraw/zinc/64/78/33/968647833.db2.gz NRLOKXPBDHZIIS-UHFFFAOYSA-N 1 2 246.314 1.583 20 0 BDADLO Cn1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000825636233 968648405 /nfs/dbraw/zinc/64/84/05/968648405.db2.gz XFKNTEZAWCZGLX-UHFFFAOYSA-N 1 2 246.314 1.387 20 0 BDADLO Cc1nccc(C[N@@H+]2CCc3ccncc3C2)n1 ZINC001207166733 968675264 /nfs/dbraw/zinc/67/52/64/968675264.db2.gz XCILNGGRWPPPFV-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1nccc(C[N@H+]2CCc3ccncc3C2)n1 ZINC001207166733 968675266 /nfs/dbraw/zinc/67/52/66/968675266.db2.gz XCILNGGRWPPPFV-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO CCCCOC[C@@H](O)CNc1cc[nH+]nc1 ZINC001252499787 968758144 /nfs/dbraw/zinc/75/81/44/968758144.db2.gz BVYFEXZKTXVYAW-NSHDSACASA-N 1 2 225.292 1.066 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCC12COC2 ZINC001207455978 968778427 /nfs/dbraw/zinc/77/84/27/968778427.db2.gz HWVCJAVINUZPNC-UHFFFAOYSA-N 1 2 233.311 1.712 20 0 BDADLO COc1ccccc1CC[N@H+]1CCC12COC2 ZINC001207455978 968778432 /nfs/dbraw/zinc/77/84/32/968778432.db2.gz HWVCJAVINUZPNC-UHFFFAOYSA-N 1 2 233.311 1.712 20 0 BDADLO COCc1cc[nH+]c(NC[C@@H]2CCNC(=O)C2)c1 ZINC001154934334 968781581 /nfs/dbraw/zinc/78/15/81/968781581.db2.gz GZZCHICBSMSTPV-SNVBAGLBSA-N 1 2 249.314 1.166 20 0 BDADLO F[C@H]1C[N@H+](C[C@H]2CCCO2)CCC1(F)F ZINC001207846647 968899610 /nfs/dbraw/zinc/89/96/10/968899610.db2.gz KWNJJLRDYDVIKS-BDAKNGLRSA-N 1 2 223.238 1.845 20 0 BDADLO F[C@H]1C[N@@H+](C[C@H]2CCCO2)CCC1(F)F ZINC001207846647 968899615 /nfs/dbraw/zinc/89/96/15/968899615.db2.gz KWNJJLRDYDVIKS-BDAKNGLRSA-N 1 2 223.238 1.845 20 0 BDADLO C[C@@H]1C(=O)Nc2ncnc(NC(=[NH2+])C(C)(C)C)c21 ZINC001155179552 968914470 /nfs/dbraw/zinc/91/44/70/968914470.db2.gz AJYKQOVCAAKZRY-LURJTMIESA-N 1 2 247.302 1.967 20 0 BDADLO C[C@H]1C(=O)Nc2ncnc(NC(=[NH2+])C(C)(C)C)c21 ZINC001155179555 968914523 /nfs/dbraw/zinc/91/45/23/968914523.db2.gz AJYKQOVCAAKZRY-ZCFIWIBFSA-N 1 2 247.302 1.967 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC001207919743 968928458 /nfs/dbraw/zinc/92/84/58/968928458.db2.gz GPIUPKGTRMFOGQ-KOLCDFICSA-N 1 2 227.304 1.191 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1C[C@H]1COC(C)(C)O1 ZINC001207919743 968928466 /nfs/dbraw/zinc/92/84/66/968928466.db2.gz GPIUPKGTRMFOGQ-KOLCDFICSA-N 1 2 227.304 1.191 20 0 BDADLO Nc1cc(-c2ccc3c(c2)C(=O)NCC3)cc[nH+]1 ZINC001241164208 968944120 /nfs/dbraw/zinc/94/41/20/968944120.db2.gz YQAFASUTWXAGPY-UHFFFAOYSA-N 1 2 239.278 1.617 20 0 BDADLO CSc1ncc(-c2ccc[nH+]c2N)cn1 ZINC001241629299 969074497 /nfs/dbraw/zinc/07/44/97/969074497.db2.gz PWAUFDKKPMDIEJ-UHFFFAOYSA-N 1 2 218.285 1.843 20 0 BDADLO O[C@@H]1C[N@H+](CCc2cccc(F)c2)C[C@@H]1F ZINC001208195902 969122445 /nfs/dbraw/zinc/12/24/45/969122445.db2.gz QHDNNRVJPLAURZ-NWDGAFQWSA-N 1 2 227.254 1.383 20 0 BDADLO O[C@@H]1C[N@@H+](CCc2cccc(F)c2)C[C@@H]1F ZINC001208195902 969122452 /nfs/dbraw/zinc/12/24/52/969122452.db2.gz QHDNNRVJPLAURZ-NWDGAFQWSA-N 1 2 227.254 1.383 20 0 BDADLO Cc1cc(-c2ccnc(C(N)=O)c2)cc(C)[nH+]1 ZINC001241992898 969155863 /nfs/dbraw/zinc/15/58/63/969155863.db2.gz WZAFRABCNNNWMB-UHFFFAOYSA-N 1 2 227.267 1.859 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001253506671 969193875 /nfs/dbraw/zinc/19/38/75/969193875.db2.gz ASVCNHMFHIEPMU-GHMZBOCLSA-N 1 2 223.320 1.995 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@H+](CCC1CCCC1)C2 ZINC001208696098 969197112 /nfs/dbraw/zinc/19/71/12/969197112.db2.gz LQYYYBWZKUKTSQ-QWRGUYRKSA-N 1 2 209.289 1.566 20 0 BDADLO O=C1O[C@H]2C[C@@H]1[N@@H+](CCC1CCCC1)C2 ZINC001208696098 969197113 /nfs/dbraw/zinc/19/71/13/969197113.db2.gz LQYYYBWZKUKTSQ-QWRGUYRKSA-N 1 2 209.289 1.566 20 0 BDADLO COC(=O)[C@@H](C)C[NH+]1CC(Oc2ccccc2)C1 ZINC001208719162 969202705 /nfs/dbraw/zinc/20/27/05/969202705.db2.gz PTFHRZSRWWQENV-NSHDSACASA-N 1 2 249.310 1.559 20 0 BDADLO CCCCC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)C1 ZINC001253535824 969207139 /nfs/dbraw/zinc/20/71/39/969207139.db2.gz NYRVKJLVMKISAD-GFCCVEGCSA-N 1 2 242.363 1.092 20 0 BDADLO CCCCC[C@@H](O)C[N@H+]1CCN(CC)C(=O)C1 ZINC001253535824 969207145 /nfs/dbraw/zinc/20/71/45/969207145.db2.gz NYRVKJLVMKISAD-GFCCVEGCSA-N 1 2 242.363 1.092 20 0 BDADLO C[C@H](C[N@@H+]1CC[C@@H](O)[C@H](F)C1)C(F)(F)F ZINC001208893725 969280438 /nfs/dbraw/zinc/28/04/38/969280438.db2.gz FGXIADMPIUCHTI-BWZBUEFSSA-N 1 2 229.217 1.590 20 0 BDADLO C[C@H](C[N@H+]1CC[C@@H](O)[C@H](F)C1)C(F)(F)F ZINC001208893725 969280443 /nfs/dbraw/zinc/28/04/43/969280443.db2.gz FGXIADMPIUCHTI-BWZBUEFSSA-N 1 2 229.217 1.590 20 0 BDADLO O=C(OCC[N@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC001209042884 969334239 /nfs/dbraw/zinc/33/42/39/969334239.db2.gz UHJPWMPBUNJJHV-GFCCVEGCSA-N 1 2 237.274 1.887 20 0 BDADLO O=C(OCC[N@@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC001209042884 969334240 /nfs/dbraw/zinc/33/42/40/969334240.db2.gz UHJPWMPBUNJJHV-GFCCVEGCSA-N 1 2 237.274 1.887 20 0 BDADLO CC(=O)OC1C[NH+](CCCc2cccnc2)C1 ZINC001209175637 969373061 /nfs/dbraw/zinc/37/30/61/969373061.db2.gz DKERVNZJTGVWGV-UHFFFAOYSA-N 1 2 234.299 1.262 20 0 BDADLO COc1ccc(N[C@H]2COC(=O)C2)[nH+]c1C ZINC001169123788 969418618 /nfs/dbraw/zinc/41/86/18/969418618.db2.gz LZXQSLSQPQPJHS-MRVPVSSYSA-N 1 2 222.244 1.126 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1noc(C)n1 ZINC001169113135 969458498 /nfs/dbraw/zinc/45/84/98/969458498.db2.gz RVLBPWJJUKANBN-MIMYLULJSA-N 1 2 239.319 1.986 20 0 BDADLO COc1cc[nH+]cc1N[C@H]1CCC[C@@H](O)C1 ZINC001169251298 969538326 /nfs/dbraw/zinc/53/83/26/969538326.db2.gz OBCYUGWOKUWMLX-VHSXEESVSA-N 1 2 222.288 1.806 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCC2(COC2)C1 ZINC001209553692 969539890 /nfs/dbraw/zinc/53/98/90/969539890.db2.gz PVLIRZMECBRGHM-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCC2(COC2)C1 ZINC001209553692 969539896 /nfs/dbraw/zinc/53/98/96/969539896.db2.gz PVLIRZMECBRGHM-UHFFFAOYSA-N 1 2 221.304 1.331 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC001209557458 969543612 /nfs/dbraw/zinc/54/36/12/969543612.db2.gz VCZPHUPDKXZBPM-GZMMTYOYSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](O)C[C@@H]1C ZINC001209557458 969543616 /nfs/dbraw/zinc/54/36/16/969543616.db2.gz VCZPHUPDKXZBPM-GZMMTYOYSA-N 1 2 209.293 1.063 20 0 BDADLO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1nnc(C)n1C ZINC001254314312 969555336 /nfs/dbraw/zinc/55/53/36/969555336.db2.gz TWDFUAAMPXSUBC-SSDOTTSWSA-N 1 2 234.307 1.006 20 0 BDADLO COc1ccc(CNc2c[nH+]ccc2OC)nn1 ZINC001169468070 969668539 /nfs/dbraw/zinc/66/85/39/969668539.db2.gz WEHOXIHXFUTCKF-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO C[C@@H](Nc1ccc(N)[nH+]c1)c1cnccn1 ZINC001169533713 969727826 /nfs/dbraw/zinc/72/78/26/969727826.db2.gz PPADUHKKACESOD-MRVPVSSYSA-N 1 2 215.260 1.627 20 0 BDADLO Nc1nonc1Nc1ccc2c[nH+]ccc2c1 ZINC001210044948 969774192 /nfs/dbraw/zinc/77/41/92/969774192.db2.gz ROGHAJKBCIJVQO-UHFFFAOYSA-N 1 2 227.227 1.944 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC001254784193 969791690 /nfs/dbraw/zinc/79/16/90/969791690.db2.gz FWCLPFGCFAYAOJ-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC001254784193 969791698 /nfs/dbraw/zinc/79/16/98/969791698.db2.gz FWCLPFGCFAYAOJ-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2ccoc2c1 ZINC001169654502 969800140 /nfs/dbraw/zinc/80/01/40/969800140.db2.gz UBZNXRUEFQDJOP-NSHDSACASA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cnc2ccoc2c1 ZINC001169654502 969800145 /nfs/dbraw/zinc/80/01/45/969800145.db2.gz UBZNXRUEFQDJOP-NSHDSACASA-N 1 2 247.298 1.570 20 0 BDADLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)cc(F)n1 ZINC001169654057 969801534 /nfs/dbraw/zinc/80/15/34/969801534.db2.gz OEULONFCKSQBPJ-LLVKDONJSA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)cc(F)n1 ZINC001169654057 969801538 /nfs/dbraw/zinc/80/15/38/969801538.db2.gz OEULONFCKSQBPJ-LLVKDONJSA-N 1 2 239.294 1.272 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1cncc(C2CC2)c1 ZINC001169657416 969803354 /nfs/dbraw/zinc/80/33/54/969803354.db2.gz QYGFGLROIBVTGX-AWEZNQCLSA-N 1 2 247.342 1.702 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1cncc(C2CC2)c1 ZINC001169657416 969803358 /nfs/dbraw/zinc/80/33/58/969803358.db2.gz QYGFGLROIBVTGX-AWEZNQCLSA-N 1 2 247.342 1.702 20 0 BDADLO CCC(CC)OCC[NH+]1CCOCC1 ZINC001210209290 969832728 /nfs/dbraw/zinc/83/27/28/969832728.db2.gz ZVXHWGOQZLYOMY-UHFFFAOYSA-N 1 2 201.310 1.524 20 0 BDADLO CC1(C)C[C@H](OCC[NH+]2CCOCC2)CCO1 ZINC001210224695 969837260 /nfs/dbraw/zinc/83/72/60/969837260.db2.gz DOFUWHPSZHYAGC-GFCCVEGCSA-N 1 2 243.347 1.293 20 0 BDADLO COc1cc(Nc2c[nH+]c(C)c(N)c2)ncn1 ZINC001210285296 969851367 /nfs/dbraw/zinc/85/13/67/969851367.db2.gz NVIPJAIOERQVQW-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO COc1nccnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287425 969853358 /nfs/dbraw/zinc/85/33/58/969853358.db2.gz SOLWCAPDDQPQJE-UHFFFAOYSA-N 1 2 231.259 1.514 20 0 BDADLO CCn1cnc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210288680 969856696 /nfs/dbraw/zinc/85/66/96/969856696.db2.gz MYPFTZKPAWSDBU-UHFFFAOYSA-N 1 2 217.276 1.932 20 0 BDADLO Cc1[nH+]cc(Nc2ccc(CO)nc2)cc1N ZINC001210288221 969856813 /nfs/dbraw/zinc/85/68/13/969856813.db2.gz DQVACMMUFOKORO-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO Cc1[nH+]cc(Nc2cc3n(n2)CCO3)cc1N ZINC001210288498 969857195 /nfs/dbraw/zinc/85/71/95/969857195.db2.gz KLAZVPNZOHVTSA-UHFFFAOYSA-N 1 2 231.259 1.305 20 0 BDADLO Cc1nc(NC[C@H](C)NC(=O)C2(C)CC2)cc[nH+]1 ZINC001108743576 969897687 /nfs/dbraw/zinc/89/76/87/969897687.db2.gz KBZGCGQGLZDWKL-VIFPVBQESA-N 1 2 248.330 1.502 20 0 BDADLO Cc1noc(C2([NH2+][C@@H]3CCSC3)CC2)n1 ZINC001255275230 970024680 /nfs/dbraw/zinc/02/46/80/970024680.db2.gz UCUKJTVHGKFXHS-MRVPVSSYSA-N 1 2 225.317 1.462 20 0 BDADLO c1cn2cccc(Nc3ccncn3)c2[nH+]1 ZINC001211024150 970119190 /nfs/dbraw/zinc/11/91/90/970119190.db2.gz HLKVTCLESXSKGD-UHFFFAOYSA-N 1 2 211.228 1.868 20 0 BDADLO Cc1ccc(C(=O)CN[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001255422735 970148377 /nfs/dbraw/zinc/14/83/77/970148377.db2.gz GZHRXASWMTYXSM-CYBMUJFWSA-N 1 2 232.327 1.471 20 0 BDADLO Cc1ccc(C(=O)CN[C@@H]2CC[N@H+](C)C2)cc1 ZINC001255422735 970148382 /nfs/dbraw/zinc/14/83/82/970148382.db2.gz GZHRXASWMTYXSM-CYBMUJFWSA-N 1 2 232.327 1.471 20 0 BDADLO Cc1ccc2cc(C[NH+]3CC(O)C3)ccc2n1 ZINC000291402798 970170181 /nfs/dbraw/zinc/17/01/81/970170181.db2.gz FFTKEYFYVBFXGF-UHFFFAOYSA-N 1 2 228.295 1.720 20 0 BDADLO COc1c[nH+]ccc1Nc1noc(C(C)(C)C)n1 ZINC001211257532 970202081 /nfs/dbraw/zinc/20/20/81/970202081.db2.gz PEWIRHXCJBRITJ-UHFFFAOYSA-N 1 2 248.286 1.936 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1COC2=O ZINC001243068545 970259182 /nfs/dbraw/zinc/25/91/82/970259182.db2.gz DAKIYKBAZMHBST-UHFFFAOYSA-N 1 2 214.224 1.758 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCC(=O)O2 ZINC001243069760 970259300 /nfs/dbraw/zinc/25/93/00/970259300.db2.gz YFBXZCAQQMWXPL-UHFFFAOYSA-N 1 2 228.251 1.939 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)N(C)C(=O)CO2 ZINC001243069558 970261903 /nfs/dbraw/zinc/26/19/03/970261903.db2.gz TUTKGNRMOWCCLY-UHFFFAOYSA-N 1 2 243.266 1.442 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CS(=O)(=O)N2 ZINC001243068864 970263674 /nfs/dbraw/zinc/26/36/74/970263674.db2.gz JMXPQVWWXARLMW-UHFFFAOYSA-N 1 2 249.295 1.342 20 0 BDADLO Cn1ncc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC001213086779 970270330 /nfs/dbraw/zinc/27/03/30/970270330.db2.gz ZQQIJFPUXVICDJ-UHFFFAOYSA-N 1 2 240.270 1.949 20 0 BDADLO CC1(C)C[C@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001255535965 970302291 /nfs/dbraw/zinc/30/22/91/970302291.db2.gz OGDDMUKVUCIHQJ-SNVBAGLBSA-N 1 2 248.317 1.485 20 0 BDADLO Cc1c[nH+]cc(-n2cnc(N)c3ccnc2-3)c1C ZINC001213523150 970349337 /nfs/dbraw/zinc/34/93/37/970349337.db2.gz MFBKSQAESLIQPJ-UHFFFAOYSA-N 1 2 239.282 1.966 20 0 BDADLO CC1(F)C[NH+](C2CCC3(CC2)OCCO3)C1 ZINC001255621889 970403016 /nfs/dbraw/zinc/40/30/16/970403016.db2.gz ACCHNPBEPOERRL-UHFFFAOYSA-N 1 2 229.295 1.716 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCn2ncnc2C1 ZINC001255646811 970427964 /nfs/dbraw/zinc/42/79/64/970427964.db2.gz QGMJVYVLEVREII-ZETCQYMHSA-N 1 2 234.225 1.435 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CCn2ncnc2C1 ZINC001255646811 970427970 /nfs/dbraw/zinc/42/79/70/970427970.db2.gz QGMJVYVLEVREII-ZETCQYMHSA-N 1 2 234.225 1.435 20 0 BDADLO Cn1c[nH+]c(Cc2nnc(C3CCOCC3)o2)c1 ZINC001255668758 970448419 /nfs/dbraw/zinc/44/84/19/970448419.db2.gz JKIOBVGCVGCDHR-UHFFFAOYSA-N 1 2 248.286 1.288 20 0 BDADLO C[NH+](C)Cc1nnc(Cc2ccccc2F)o1 ZINC001255752561 970472377 /nfs/dbraw/zinc/47/23/77/970472377.db2.gz OZKFOBMQAGUZDU-UHFFFAOYSA-N 1 2 235.262 1.861 20 0 BDADLO C[C@H](Cc1ccccc1F)[NH+]1CC(O)C1 ZINC001255842185 970509972 /nfs/dbraw/zinc/50/99/72/970509972.db2.gz PPKZMJYIWXBSCH-SECBINFHSA-N 1 2 209.264 1.433 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC001170190167 970560645 /nfs/dbraw/zinc/56/06/45/970560645.db2.gz DGLZVVNRMBTWMW-MNOVXSKESA-N 1 2 229.320 1.487 20 0 BDADLO C[N@@H+]1CCO[C@H](CSc2cc(F)ncn2)C1 ZINC000400858098 970637628 /nfs/dbraw/zinc/63/76/28/970637628.db2.gz MAPZBCAOWBBYQD-QMMMGPOBSA-N 1 2 243.307 1.038 20 0 BDADLO C[N@H+]1CCO[C@H](CSc2cc(F)ncn2)C1 ZINC000400858098 970637638 /nfs/dbraw/zinc/63/76/38/970637638.db2.gz MAPZBCAOWBBYQD-QMMMGPOBSA-N 1 2 243.307 1.038 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)CCC(C)C)[C@@H](C)O ZINC001256354356 970748840 /nfs/dbraw/zinc/74/88/40/970748840.db2.gz IVVZRPHEPYNQGI-TUAOUCFPSA-N 1 2 245.363 1.713 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2C(=O)CC23CCC3)C1 ZINC001327353262 972556664 /nfs/dbraw/zinc/55/66/64/972556664.db2.gz KPYGBHBNEBKXIV-LBPRGKRZSA-N 1 2 240.322 1.923 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2C(=O)CC23CCC3)C1 ZINC001327353262 972556672 /nfs/dbraw/zinc/55/66/72/972556672.db2.gz KPYGBHBNEBKXIV-LBPRGKRZSA-N 1 2 240.322 1.923 20 0 BDADLO CCCCOC(=O)[C@H](C)OCc1c[nH+]cn1C ZINC001222594020 972593915 /nfs/dbraw/zinc/59/39/15/972593915.db2.gz BPQDGQHVNJNNTC-JTQLQIEISA-N 1 2 240.303 1.669 20 0 BDADLO Cn1c[nH+]cc1CO[C@H]1CCOC[C@@H]1F ZINC001222600630 972597264 /nfs/dbraw/zinc/59/72/64/972597264.db2.gz SRJGHCNLSPPPCI-UWVGGRQHSA-N 1 2 214.240 1.064 20 0 BDADLO CC[C@@]1(C)CCC[N@H+](Cc2nnc[nH]2)C1 ZINC001327513867 972604320 /nfs/dbraw/zinc/60/43/20/972604320.db2.gz ZVDFEFOFGYEXMZ-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@]1(C)CCC[N@@H+](Cc2nnc[nH]2)C1 ZINC001327513867 972604322 /nfs/dbraw/zinc/60/43/22/972604322.db2.gz ZVDFEFOFGYEXMZ-NSHDSACASA-N 1 2 208.309 1.817 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc2cc[nH]c2cn1 ZINC001144139757 972608703 /nfs/dbraw/zinc/60/87/03/972608703.db2.gz LJANYVLVZMJGKV-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cn1 ZINC001144262557 972716979 /nfs/dbraw/zinc/71/69/79/972716979.db2.gz BAQLKMYFSGPHBG-ZDUSSCGKSA-N 1 2 234.299 1.731 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(O)cn1 ZINC001144262557 972716987 /nfs/dbraw/zinc/71/69/87/972716987.db2.gz BAQLKMYFSGPHBG-ZDUSSCGKSA-N 1 2 234.299 1.731 20 0 BDADLO C[C@]1(C(=O)NCCn2cc[nH+]c2)C[C@@H]2C=C[C@H]1C2 ZINC001144267060 972728787 /nfs/dbraw/zinc/72/87/87/972728787.db2.gz SCENXEBLUIPBNY-DYEKYZERSA-N 1 2 245.326 1.602 20 0 BDADLO COCc1nnc(C[NH2+]C2CC(C(F)F)C2)[nH]1 ZINC001327890145 972796014 /nfs/dbraw/zinc/79/60/14/972796014.db2.gz DHJUHGPMQWDEGW-UHFFFAOYSA-N 1 2 246.261 1.084 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)n[nH]1 ZINC001327950539 972825114 /nfs/dbraw/zinc/82/51/14/972825114.db2.gz QGWOEUYAICXFBZ-BXKDBHETSA-N 1 2 223.320 1.168 20 0 BDADLO O[C@@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144611405 972885849 /nfs/dbraw/zinc/88/58/49/972885849.db2.gz NCIJYINOVWAHOG-LLVKDONJSA-N 1 2 231.299 1.291 20 0 BDADLO CC1(O)CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144611610 972889922 /nfs/dbraw/zinc/88/99/22/972889922.db2.gz RXXTUORAVCMXRC-UHFFFAOYSA-N 1 2 245.326 1.681 20 0 BDADLO Oc1cc(F)c(C[NH+]2CCC(O)CC2)cc1F ZINC001144646713 972908407 /nfs/dbraw/zinc/90/84/07/972908407.db2.gz IFNNKCUUJJLYHI-UHFFFAOYSA-N 1 2 243.253 1.627 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)c(O)cc1F ZINC001144647431 972908560 /nfs/dbraw/zinc/90/85/60/972908560.db2.gz FROLMTFGWFFZFD-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)c(O)cc1F ZINC001144647431 972908565 /nfs/dbraw/zinc/90/85/65/972908565.db2.gz FROLMTFGWFFZFD-VXNVDRBHSA-N 1 2 243.253 1.626 20 0 BDADLO C[NH+]1CC(OCc2cccc3c2OCCO3)C1 ZINC001223280997 972921113 /nfs/dbraw/zinc/92/11/13/972921113.db2.gz UKQUTDDLGQNDBH-UHFFFAOYSA-N 1 2 235.283 1.288 20 0 BDADLO C[NH+]1CCC(ONC(=O)C2(CF)CCC2)CC1 ZINC001328311018 972962489 /nfs/dbraw/zinc/96/24/89/972962489.db2.gz KFPGSJWNZXFCNK-UHFFFAOYSA-N 1 2 244.310 1.268 20 0 BDADLO CCOC(=O)c1noc(CNc2cccc[nH+]2)n1 ZINC001171232294 973028038 /nfs/dbraw/zinc/02/80/38/973028038.db2.gz FXPHGSKLSKQAGI-UHFFFAOYSA-N 1 2 248.242 1.253 20 0 BDADLO C[NH+](C)Cc1nnc(CCc2cccnc2)o1 ZINC001328432895 973054233 /nfs/dbraw/zinc/05/42/33/973054233.db2.gz UOXQHWZRTZJKKN-UHFFFAOYSA-N 1 2 232.287 1.311 20 0 BDADLO CC[C@H](O)C(=O)OCc1cc(C)[nH+]c(C)c1 ZINC001223422630 973062641 /nfs/dbraw/zinc/06/26/41/973062641.db2.gz YHSJZAKBZPAWCR-NSHDSACASA-N 1 2 223.272 1.513 20 0 BDADLO C[C@@H](C(=O)NC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001328511796 973119740 /nfs/dbraw/zinc/11/97/40/973119740.db2.gz JTLUCYIPAJPGQE-VIFPVBQESA-N 1 2 221.304 1.749 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCS[C@H]1C)n1cc[nH+]c1 ZINC001328578105 973160476 /nfs/dbraw/zinc/16/04/76/973160476.db2.gz RYPOMHQLBLIISH-GUBZILKMSA-N 1 2 239.344 1.454 20 0 BDADLO COc1ccnc(COC2C[NH+](C)C2)c1C ZINC001223620168 973194571 /nfs/dbraw/zinc/19/45/71/973194571.db2.gz FPLLIMQPWDNYMR-UHFFFAOYSA-N 1 2 222.288 1.229 20 0 BDADLO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(S)cc1 ZINC001276905022 973197651 /nfs/dbraw/zinc/19/76/51/973197651.db2.gz KTRIQWJKBUEYCV-TXEJJXNPSA-N 1 2 234.368 1.864 20 0 BDADLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(S)cc1 ZINC001276905022 973197662 /nfs/dbraw/zinc/19/76/62/973197662.db2.gz KTRIQWJKBUEYCV-TXEJJXNPSA-N 1 2 234.368 1.864 20 0 BDADLO CC(C)CCSCC(=O)NOCC[NH+](C)C ZINC001328690508 973274852 /nfs/dbraw/zinc/27/48/52/973274852.db2.gz DSEADOAPTRYTLZ-UHFFFAOYSA-N 1 2 248.392 1.375 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccncn1 ZINC001148164622 973808622 /nfs/dbraw/zinc/80/86/22/973808622.db2.gz VJGWBQFCUWNSGR-UHFFFAOYSA-N 1 2 240.266 1.035 20 0 BDADLO CC(=O)CN(C(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001329516279 973809976 /nfs/dbraw/zinc/80/99/76/973809976.db2.gz JPPZJDCXGOWBRD-LLVKDONJSA-N 1 2 237.303 1.270 20 0 BDADLO C[NH+]1CC(NC(=O)c2ccccc2C2CC2)C1 ZINC001148479594 973844123 /nfs/dbraw/zinc/84/41/23/973844123.db2.gz DQPIXRSTSXMFOK-UHFFFAOYSA-N 1 2 230.311 1.608 20 0 BDADLO Cc1nc(NC2CC3(CC3(F)F)C2)nc(N)[nH+]1 ZINC001329741580 973904347 /nfs/dbraw/zinc/90/43/47/973904347.db2.gz VBZUESUWARHOPA-UHFFFAOYSA-N 1 2 241.245 1.362 20 0 BDADLO Cc1nc(N)nc(NC2CC3(CC3(F)F)C2)[nH+]1 ZINC001329741580 973904356 /nfs/dbraw/zinc/90/43/56/973904356.db2.gz VBZUESUWARHOPA-UHFFFAOYSA-N 1 2 241.245 1.362 20 0 BDADLO C[NH+]1CC(OCC2Cc3ccccc3C2)C1 ZINC001224801844 973978495 /nfs/dbraw/zinc/97/84/95/973978495.db2.gz KLWYNARVXYPXPC-UHFFFAOYSA-N 1 2 217.312 1.732 20 0 BDADLO C/C(=C/c1nnc(C[NH+](C)C)o1)c1cnccn1 ZINC001330101770 974105430 /nfs/dbraw/zinc/10/54/30/974105430.db2.gz UOKUKNAIALOVQQ-TWGQIWQCSA-N 1 2 245.286 1.482 20 0 BDADLO CSCCO[C@H](C)C[NH+]1CCOCC1 ZINC001225036229 974159556 /nfs/dbraw/zinc/15/95/56/974159556.db2.gz OOHMHZCWMGVJSV-SNVBAGLBSA-N 1 2 219.350 1.087 20 0 BDADLO CC(C)(CF)NC(=O)CCCn1cc[nH+]c1 ZINC001330535660 974300154 /nfs/dbraw/zinc/30/01/54/974300154.db2.gz FPLRTZBAMFIRGY-UHFFFAOYSA-N 1 2 227.283 1.528 20 0 BDADLO COC(=O)[C@@H](Oc1cc[nH+]cc1)C(F)(F)F ZINC001225291813 974366246 /nfs/dbraw/zinc/36/62/46/974366246.db2.gz YWSGWKVRXGIDLJ-SSDOTTSWSA-N 1 2 235.161 1.564 20 0 BDADLO C[NH+]1CC(Oc2cccc3cnccc32)C1 ZINC001225295283 974371590 /nfs/dbraw/zinc/37/15/90/974371590.db2.gz ZSBVDPLBLNBALO-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO COC[C@H](C)OC[C@@H](C)Oc1cc[nH+]cc1 ZINC001225296200 974373862 /nfs/dbraw/zinc/37/38/62/974373862.db2.gz QPZUBNBGOLZYAC-WDEREUQCSA-N 1 2 225.288 1.900 20 0 BDADLO C[N@H+](CC(F)F)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172195485 974483229 /nfs/dbraw/zinc/48/32/29/974483229.db2.gz ZWIFTFQKALQAOV-IUCAKERBSA-N 1 2 232.274 1.337 20 0 BDADLO C[N@@H+](CC(F)F)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172195485 974483233 /nfs/dbraw/zinc/48/32/33/974483233.db2.gz ZWIFTFQKALQAOV-IUCAKERBSA-N 1 2 232.274 1.337 20 0 BDADLO CO[C@H](C[NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC001331027764 974564269 /nfs/dbraw/zinc/56/42/69/974564269.db2.gz SRDFJIPRHUOAMC-GMSGAONNSA-N 1 2 225.292 1.454 20 0 BDADLO Cc1cc(NCCNc2cccc[nH+]2)nc(F)n1 ZINC001331086815 974597423 /nfs/dbraw/zinc/59/74/23/974597423.db2.gz YZGATKDDFAOCMV-UHFFFAOYSA-N 1 2 247.277 1.843 20 0 BDADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(F)F ZINC001331988506 974909840 /nfs/dbraw/zinc/90/98/40/974909840.db2.gz BZNHCCLOTZIXGB-JGVFFNPUSA-N 1 2 231.246 1.604 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H](C)CCC(=O)OC(C)C ZINC001172772705 974939760 /nfs/dbraw/zinc/93/97/60/974939760.db2.gz HBVAPAQIHRVQJF-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H](C)CCC(=O)OC(C)C ZINC001172772705 974939766 /nfs/dbraw/zinc/93/97/66/974939766.db2.gz HBVAPAQIHRVQJF-JTQLQIEISA-N 1 2 245.319 1.212 20 0 BDADLO C[NH+]1CC(Oc2nccc3ncccc32)C1 ZINC001226539652 974949560 /nfs/dbraw/zinc/94/95/60/974949560.db2.gz UJUAQVLVGPZKJB-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO C[NH+]1CC(Oc2nccc3ccncc32)C1 ZINC001226567271 974956935 /nfs/dbraw/zinc/95/69/35/974956935.db2.gz BEZLZFYFJYUPED-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3ncccc32)C1 ZINC001226606124 974976889 /nfs/dbraw/zinc/97/68/89/974976889.db2.gz GUFFXMRSEAIKDU-UHFFFAOYSA-N 1 2 230.271 1.108 20 0 BDADLO CC[NH+]1CC(Oc2cccc3c2NC(=O)CO3)C1 ZINC001226630739 974987432 /nfs/dbraw/zinc/98/74/32/974987432.db2.gz HQVIPPXWEZTKCT-UHFFFAOYSA-N 1 2 248.282 1.100 20 0 BDADLO Cc1ncoc1C[NH2+]Cc1cc(C)ncn1 ZINC001332267119 975036874 /nfs/dbraw/zinc/03/68/74/975036874.db2.gz RNLRTXDILOMCSK-UHFFFAOYSA-N 1 2 218.260 1.371 20 0 BDADLO CCOC(=O)c1cc(C[NH+]2CC(CC)C2)[nH]n1 ZINC001332434666 975122519 /nfs/dbraw/zinc/12/25/19/975122519.db2.gz DKMBZEVCFYRZPW-UHFFFAOYSA-N 1 2 237.303 1.428 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@H](CC)C1)[C@@H](C)O ZINC001173267561 975131358 /nfs/dbraw/zinc/13/13/58/975131358.db2.gz SDLJVTYTCVEXDR-RHYQMDGZSA-N 1 2 243.347 1.467 20 0 BDADLO CC[C@H]1CC[C@@H]([NH2+][C@@H](C(=O)OC)[C@@H](C)O)C1 ZINC001173266869 975132082 /nfs/dbraw/zinc/13/20/82/975132082.db2.gz HXTZHNFKANJBNX-LMLFDSFASA-N 1 2 229.320 1.077 20 0 BDADLO O=C(N[C@@H]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332455442 975140147 /nfs/dbraw/zinc/14/01/47/975140147.db2.gz KMCNRYYRPHIEKK-GMTAPVOTSA-N 1 2 249.314 1.199 20 0 BDADLO O=C(N[C@@H]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332455442 975140151 /nfs/dbraw/zinc/14/01/51/975140151.db2.gz KMCNRYYRPHIEKK-GMTAPVOTSA-N 1 2 249.314 1.199 20 0 BDADLO C[C@@H](C[NH+](C)C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977002 975198763 /nfs/dbraw/zinc/19/87/63/975198763.db2.gz JXUKLSABBHVOEX-VIFPVBQESA-N 1 2 247.298 1.664 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(=O)CC1 ZINC001332651797 975239326 /nfs/dbraw/zinc/23/93/26/975239326.db2.gz BNAWVXXDKYIEDB-UHFFFAOYSA-N 1 2 243.266 1.368 20 0 BDADLO Cc1[nH]c(=O)nc(O[C@@H]2CC[N@@H+](C)C2)c1Cl ZINC001227117193 975284429 /nfs/dbraw/zinc/28/44/29/975284429.db2.gz STSABERPSUKVPQ-SSDOTTSWSA-N 1 2 243.694 1.227 20 0 BDADLO Cc1[nH]c(=O)nc(O[C@@H]2CC[N@H+](C)C2)c1Cl ZINC001227117193 975284434 /nfs/dbraw/zinc/28/44/34/975284434.db2.gz STSABERPSUKVPQ-SSDOTTSWSA-N 1 2 243.694 1.227 20 0 BDADLO Cn1c[nH+]cc1CN[C@@H](c1ncccn1)C1CC1 ZINC001332799522 975287976 /nfs/dbraw/zinc/28/79/76/975287976.db2.gz OEGULSJXXKYHLB-GFCCVEGCSA-N 1 2 243.314 1.451 20 0 BDADLO O=C(NC/C=C/C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001332851039 975294185 /nfs/dbraw/zinc/29/41/85/975294185.db2.gz UXFTWAJOZRKOJK-GXFZAYBSSA-N 1 2 246.314 1.073 20 0 BDADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCOC1=O ZINC001227259829 975333834 /nfs/dbraw/zinc/33/38/34/975333834.db2.gz MJFOMRPUBZRPTA-SECBINFHSA-N 1 2 207.229 1.393 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC001332947116 975337644 /nfs/dbraw/zinc/33/76/44/975337644.db2.gz SYVRNDYOZJMPTC-UWVGGRQHSA-N 1 2 246.318 1.325 20 0 BDADLO CC(C)(C)[NH+]1CC(Oc2cccccc2=O)C1 ZINC001227417029 975388318 /nfs/dbraw/zinc/38/83/18/975388318.db2.gz JTMGGNOIUAXVSR-UHFFFAOYSA-N 1 2 233.311 1.908 20 0 BDADLO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCC(=O)C2)C1 ZINC001173645787 975509221 /nfs/dbraw/zinc/50/92/21/975509221.db2.gz AJPFVJYINMWEIA-MNOVXSKESA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCC(=O)C2)C1 ZINC001173645787 975509232 /nfs/dbraw/zinc/50/92/32/975509232.db2.gz AJPFVJYINMWEIA-MNOVXSKESA-N 1 2 239.315 1.383 20 0 BDADLO CCn1c[nH+]cc1CN[C@@H]1C[C@H](C)n2ncnc21 ZINC001333308545 975642054 /nfs/dbraw/zinc/64/20/54/975642054.db2.gz WYQOCGGHPPSTIP-GXSJLCMTSA-N 1 2 246.318 1.290 20 0 BDADLO C[NH+]1CC(Oc2cccc3cncnc32)C1 ZINC001227971739 975820019 /nfs/dbraw/zinc/82/00/19/975820019.db2.gz SVHLTSGJCOZOLB-UHFFFAOYSA-N 1 2 215.256 1.323 20 0 BDADLO c1nnc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)[nH]1 ZINC001333588288 975871713 /nfs/dbraw/zinc/87/17/13/975871713.db2.gz VJZVUYKBRBOHBD-NXEZZACHSA-N 1 2 238.360 1.665 20 0 BDADLO c1nnc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)[nH]1 ZINC001333588288 975871714 /nfs/dbraw/zinc/87/17/14/975871714.db2.gz VJZVUYKBRBOHBD-NXEZZACHSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)n[nH]1 ZINC001333588288 975871718 /nfs/dbraw/zinc/87/17/18/975871718.db2.gz VJZVUYKBRBOHBD-NXEZZACHSA-N 1 2 238.360 1.665 20 0 BDADLO c1nc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)n[nH]1 ZINC001333588288 975871727 /nfs/dbraw/zinc/87/17/27/975871727.db2.gz VJZVUYKBRBOHBD-NXEZZACHSA-N 1 2 238.360 1.665 20 0 BDADLO COc1cc2c(cc1OC1CN(C)C1)C=[NH+]CC2 ZINC001228088494 975897404 /nfs/dbraw/zinc/89/74/04/975897404.db2.gz WZKLZMXWVGIPGN-UHFFFAOYSA-N 1 2 246.310 1.363 20 0 BDADLO CCN(C[C@@H]1CCOC1)c1cc(NC)[nH+]cn1 ZINC001333680176 975988710 /nfs/dbraw/zinc/98/87/10/975988710.db2.gz MINKMMAWZVFNJK-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO CCN(C[C@@H]1CCOC1)c1cc(NC)nc[nH+]1 ZINC001333680176 975988728 /nfs/dbraw/zinc/98/87/28/975988728.db2.gz MINKMMAWZVFNJK-JTQLQIEISA-N 1 2 236.319 1.381 20 0 BDADLO Cn1c(C[NH2+]Cc2nnc[nH]2)cc2ccccc21 ZINC001204135001 976031132 /nfs/dbraw/zinc/03/11/32/976031132.db2.gz CYDXHHLFSKKLPE-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO CC[NH+]1CC(Oc2ccc(-c3nnco3)cc2)C1 ZINC001228302708 976085242 /nfs/dbraw/zinc/08/52/42/976085242.db2.gz QITZGAVVQJKUCB-UHFFFAOYSA-N 1 2 245.282 1.820 20 0 BDADLO Cc1ncnc(OC2C[NH+](C(C)C)C2)c1C ZINC001228321620 976109428 /nfs/dbraw/zinc/10/94/28/976109428.db2.gz XQCHJFYYTDCCLN-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2ccc3nn[nH]c3c2)CC1 ZINC001228668061 976427446 /nfs/dbraw/zinc/42/74/46/976427446.db2.gz XLCSNZWRRXVBNU-SNVBAGLBSA-N 1 2 246.314 1.821 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2ccc3nn[nH]c3c2)CC1 ZINC001228668061 976427451 /nfs/dbraw/zinc/42/74/51/976427451.db2.gz XLCSNZWRRXVBNU-SNVBAGLBSA-N 1 2 246.314 1.821 20 0 BDADLO COc1cc[nH+]cc1Nc1cn(C)nc1C ZINC001174333127 976544689 /nfs/dbraw/zinc/54/46/89/976544689.db2.gz DRZBJAURGBOKLE-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO CCOc1cc[nH+]cc1Nc1ccc(=O)n(C)c1 ZINC001174355748 976600655 /nfs/dbraw/zinc/60/06/55/976600655.db2.gz OTPAIFNGTWYGIY-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO C[N@@H+]1CCO[C@@H](COc2ccc(C3CC3)cn2)C1 ZINC001228999902 976636488 /nfs/dbraw/zinc/63/64/88/976636488.db2.gz FQSDVRWJZVWWIK-CYBMUJFWSA-N 1 2 248.326 1.668 20 0 BDADLO C[N@H+]1CCO[C@@H](COc2ccc(C3CC3)cn2)C1 ZINC001228999902 976636499 /nfs/dbraw/zinc/63/64/99/976636499.db2.gz FQSDVRWJZVWWIK-CYBMUJFWSA-N 1 2 248.326 1.668 20 0 BDADLO C[C@@H](C(=O)NCCc1ccoc1)n1cc[nH+]c1 ZINC001334781875 976656625 /nfs/dbraw/zinc/65/66/25/976656625.db2.gz DTAQWKKBNSPIQR-JTQLQIEISA-N 1 2 233.271 1.396 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)c(Cl)nn2)C1 ZINC001229067042 976692402 /nfs/dbraw/zinc/69/24/02/976692402.db2.gz QCEBWYVNWINRQH-UHFFFAOYSA-N 1 2 227.695 1.521 20 0 BDADLO C[C@H]1C[NH+](CCOC2CC2)C[C@H](C)S1=O ZINC001334871066 976755993 /nfs/dbraw/zinc/75/59/93/976755993.db2.gz PADPHOVJZXFMQL-UWVGGRQHSA-N 1 2 231.361 1.007 20 0 BDADLO Cc1n[nH]cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001174471413 976777913 /nfs/dbraw/zinc/77/79/13/976777913.db2.gz QJSJIOBCVRUKNG-UHFFFAOYSA-N 1 2 217.276 1.923 20 0 BDADLO CC[NH+]1CC(Oc2ccc3[nH]c(=S)[nH]c3c2)C1 ZINC001229630350 976916244 /nfs/dbraw/zinc/91/62/44/976916244.db2.gz GZHSZJRHEJNWMV-UHFFFAOYSA-N 1 2 249.339 1.935 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000259904563 976964911 /nfs/dbraw/zinc/96/49/11/976964911.db2.gz FYWXJWSMIWPOTH-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000259904563 976964924 /nfs/dbraw/zinc/96/49/24/976964924.db2.gz FYWXJWSMIWPOTH-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)n1cc[nH+]c1 ZINC001335362777 976995632 /nfs/dbraw/zinc/99/56/32/976995632.db2.gz VXSOEAKJDQASIS-NOOOWODRSA-N 1 2 233.315 1.749 20 0 BDADLO Cn1c[nH+]cc1CNC(=S)NCC1CCC1 ZINC001335482368 977092211 /nfs/dbraw/zinc/09/22/11/977092211.db2.gz GQBURNDZFJREEK-UHFFFAOYSA-N 1 2 238.360 1.184 20 0 BDADLO CC[NH+]1CC(Oc2ncnc3c(F)cccc23)C1 ZINC001230356107 977191370 /nfs/dbraw/zinc/19/13/70/977191370.db2.gz HRFJQKHPAADSJU-UHFFFAOYSA-N 1 2 247.273 1.852 20 0 BDADLO CCOc1cccc(OC2C[NH+](C)C2)c1 ZINC001230554479 977250049 /nfs/dbraw/zinc/25/00/49/977250049.db2.gz OCQASYHSJFBVRI-UHFFFAOYSA-N 1 2 207.273 1.778 20 0 BDADLO COc1cc[nH+]cc1Nc1ccncc1F ZINC001175197018 977291371 /nfs/dbraw/zinc/29/13/71/977291371.db2.gz JEISQZFNWFKCTP-UHFFFAOYSA-N 1 2 219.219 1.790 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001335801384 977292564 /nfs/dbraw/zinc/29/25/64/977292564.db2.gz DEVSMZIJTVHQRW-SECBINFHSA-N 1 2 246.270 1.038 20 0 BDADLO CCc1ccc(OC2C[NH+](CC)C2)nc1 ZINC001230846018 977349481 /nfs/dbraw/zinc/34/94/81/977349481.db2.gz UHQBXBKRLVJXDE-UHFFFAOYSA-N 1 2 206.289 1.727 20 0 BDADLO C[C@H]1COC[C@@H]1Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230914747 977379690 /nfs/dbraw/zinc/37/96/90/977379690.db2.gz JVGSXUPBMAWGKP-XPTSAGLGSA-N 1 2 247.294 1.781 20 0 BDADLO COCn1cc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001175340660 977387050 /nfs/dbraw/zinc/38/70/50/977387050.db2.gz BHGGXEXQKHQYBK-UHFFFAOYSA-N 1 2 247.302 1.692 20 0 BDADLO CCOC1CC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001336052938 977462064 /nfs/dbraw/zinc/46/20/64/977462064.db2.gz GDEMNHGMBCWHTD-QUNCOHTASA-N 1 2 249.314 1.026 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)C1(C)CC1 ZINC001336218870 977579068 /nfs/dbraw/zinc/57/90/68/977579068.db2.gz WPXLLDXCGDQYFU-VIFPVBQESA-N 1 2 221.304 1.267 20 0 BDADLO CCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001336451310 977693523 /nfs/dbraw/zinc/69/35/23/977693523.db2.gz UWEDHYYKZGZBKW-JTQLQIEISA-N 1 2 206.289 1.869 20 0 BDADLO CCOc1ncccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001231760480 977722699 /nfs/dbraw/zinc/72/26/99/977722699.db2.gz KVIKALOCAKNTFB-UHFFFAOYSA-N 1 2 248.326 1.437 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001231742402 977725851 /nfs/dbraw/zinc/72/58/51/977725851.db2.gz PLWNKGIONIIVMX-MNOVXSKESA-N 1 2 238.262 1.202 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001231742402 977725857 /nfs/dbraw/zinc/72/58/57/977725857.db2.gz PLWNKGIONIIVMX-MNOVXSKESA-N 1 2 238.262 1.202 20 0 BDADLO COc1ncc(F)cc1C[N@@H+]1CC[C@@H]1C ZINC001231741378 977729149 /nfs/dbraw/zinc/72/91/49/977729149.db2.gz UPOWWENBQVHWHH-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO COc1ncc(F)cc1C[N@H+]1CC[C@@H]1C ZINC001231741378 977729177 /nfs/dbraw/zinc/72/91/77/977729177.db2.gz UPOWWENBQVHWHH-QMMMGPOBSA-N 1 2 210.252 1.824 20 0 BDADLO Nc1cc(N2CCO[C@H](c3ccco3)C2)[nH+]cn1 ZINC001336544359 977764411 /nfs/dbraw/zinc/76/44/11/977764411.db2.gz GIXBSHCCCVRNTD-JTQLQIEISA-N 1 2 246.270 1.230 20 0 BDADLO Cc1noc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001336575654 977790426 /nfs/dbraw/zinc/79/04/26/977790426.db2.gz YRGPBEFADURETH-GFCCVEGCSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1noc(N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001336575654 977790433 /nfs/dbraw/zinc/79/04/33/977790433.db2.gz YRGPBEFADURETH-GFCCVEGCSA-N 1 2 244.298 1.977 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)cc(C)n1 ZINC001231995998 977831958 /nfs/dbraw/zinc/83/19/58/977831958.db2.gz WZUPSWHCEJHSRQ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)cc(C)n1 ZINC001231995998 977831962 /nfs/dbraw/zinc/83/19/62/977831962.db2.gz WZUPSWHCEJHSRQ-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cn1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)n1 ZINC001206257048 977833171 /nfs/dbraw/zinc/83/31/71/977833171.db2.gz NGKMUIDYGNLGAW-SNVBAGLBSA-N 1 2 247.264 1.989 20 0 BDADLO Cn1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)n1 ZINC001206257048 977833175 /nfs/dbraw/zinc/83/31/75/977833175.db2.gz NGKMUIDYGNLGAW-SNVBAGLBSA-N 1 2 247.264 1.989 20 0 BDADLO O=c1ccc(C[N@H+]2CCCC[C@H](F)C2)n[nH]1 ZINC001232021993 977849202 /nfs/dbraw/zinc/84/92/02/977849202.db2.gz VWKGDVNEOSBUPI-VIFPVBQESA-N 1 2 225.267 1.506 20 0 BDADLO O=c1ccc(C[N@@H+]2CCCC[C@H](F)C2)n[nH]1 ZINC001232021993 977849205 /nfs/dbraw/zinc/84/92/05/977849205.db2.gz VWKGDVNEOSBUPI-VIFPVBQESA-N 1 2 225.267 1.506 20 0 BDADLO Nc1cc(N2CC[C@H](c3cccnc3)C2)[nH+]cn1 ZINC001336680432 977850919 /nfs/dbraw/zinc/85/09/19/977850919.db2.gz TVSQCEFTSIUQKP-NSHDSACASA-N 1 2 241.298 1.448 20 0 BDADLO Cc1[nH]c(CNc2nccc(C)n2)[nH+]c1C ZINC001336711421 977874546 /nfs/dbraw/zinc/87/45/46/977874546.db2.gz OREYSOPYVJWLIE-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO CCN(Cc1cc2ccncc2[nH]1)C1C[NH+](C)C1 ZINC001232096279 977893452 /nfs/dbraw/zinc/89/34/52/977893452.db2.gz BTWJUDRWUPAKQD-UHFFFAOYSA-N 1 2 244.342 1.699 20 0 BDADLO COc1cc[nH+]cc1NC1=CCOCC1 ZINC001176140606 977922104 /nfs/dbraw/zinc/92/21/04/977922104.db2.gz XFPMORWTCRZHLX-UHFFFAOYSA-N 1 2 206.245 1.806 20 0 BDADLO COCc1n[nH]c(C[NH2+][C@H](C)[C@H]2CC2(F)F)n1 ZINC001336758214 977926571 /nfs/dbraw/zinc/92/65/71/977926571.db2.gz PUCIPDQKQUUXMF-RNFRBKRXSA-N 1 2 246.261 1.084 20 0 BDADLO Cc1scnc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001232204886 977929993 /nfs/dbraw/zinc/92/99/93/977929993.db2.gz ALMBJBACDCYYTP-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO Cc1scnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001232204886 977930014 /nfs/dbraw/zinc/93/00/14/977930014.db2.gz ALMBJBACDCYYTP-AOOOYVTPSA-N 1 2 236.340 1.862 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@@H+](C[C@H](O)C2CC2)C1 ZINC001176145218 977933632 /nfs/dbraw/zinc/93/36/32/977933632.db2.gz KOMASCWHVVQDII-ZANVPECISA-N 1 2 235.331 1.175 20 0 BDADLO C[C@H]1Cc2[nH]ncc2C[N@H+](C[C@H](O)C2CC2)C1 ZINC001176145218 977933637 /nfs/dbraw/zinc/93/36/37/977933637.db2.gz KOMASCWHVVQDII-ZANVPECISA-N 1 2 235.331 1.175 20 0 BDADLO Cc1scnc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001232205169 977933744 /nfs/dbraw/zinc/93/37/44/977933744.db2.gz JSAPCHGVHRUKAD-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO Cc1scnc1C[N@H+]1CC[C@@]12CCOC2 ZINC001232205169 977933756 /nfs/dbraw/zinc/93/37/56/977933756.db2.gz JSAPCHGVHRUKAD-NSHDSACASA-N 1 2 224.329 1.816 20 0 BDADLO COc1cc[nH+]cc1Nc1cc(C)nn1CCO ZINC001176116334 977945882 /nfs/dbraw/zinc/94/58/82/977945882.db2.gz AEBXYVNBBYOPJQ-UHFFFAOYSA-N 1 2 248.286 1.331 20 0 BDADLO COc1cc[nH+]cc1Nc1c(N)cnn1C ZINC001176117886 977946827 /nfs/dbraw/zinc/94/68/27/977946827.db2.gz BIWGZAZNZLWOQP-UHFFFAOYSA-N 1 2 219.248 1.150 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1Cc2cnn(C)c2C1 ZINC001232340121 978020562 /nfs/dbraw/zinc/02/05/62/978020562.db2.gz CVRGWLAGOHWDIS-UHFFFAOYSA-N 1 2 243.314 1.222 20 0 BDADLO Cc1[nH+]c(N)ccc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001232340364 978022824 /nfs/dbraw/zinc/02/28/24/978022824.db2.gz PHFAZPOKSHDOFP-AOOOYVTPSA-N 1 2 227.258 1.464 20 0 BDADLO COc1cc(C)c(C[N@@H+]2CCOC3(CC3)C2)cn1 ZINC001232354061 978033100 /nfs/dbraw/zinc/03/31/00/978033100.db2.gz KJFUPMIOIZEJHD-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1cc(C)c(C[N@H+]2CCOC3(CC3)C2)cn1 ZINC001232354061 978033111 /nfs/dbraw/zinc/03/31/11/978033111.db2.gz KJFUPMIOIZEJHD-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO C[C@@]1(F)CC[N@H+](Cc2ccc(N)nc2)C[C@H]1F ZINC001232364248 978037341 /nfs/dbraw/zinc/03/73/41/978037341.db2.gz KXELOCQRHNLZSR-ZYHUDNBSSA-N 1 2 241.285 1.936 20 0 BDADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(N)nc2)C[C@H]1F ZINC001232364248 978037353 /nfs/dbraw/zinc/03/73/53/978037353.db2.gz KXELOCQRHNLZSR-ZYHUDNBSSA-N 1 2 241.285 1.936 20 0 BDADLO C[N@H+](Cc1cccc(=O)[nH]1)Cc1cccnc1N ZINC001176440673 978064794 /nfs/dbraw/zinc/06/47/94/978064794.db2.gz DZPVIAXIVJZUGY-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cccnc1N ZINC001176440673 978064803 /nfs/dbraw/zinc/06/48/03/978064803.db2.gz DZPVIAXIVJZUGY-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO Cc1[nH]c(CN2CCC(=O)[C@@H](C)CC2)c[nH+]1 ZINC001232460707 978078779 /nfs/dbraw/zinc/07/87/79/978078779.db2.gz UEYSCWZIDBVUOI-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]cc(CN2CCC(=O)[C@@H](C)CC2)[nH+]1 ZINC001232460707 978078786 /nfs/dbraw/zinc/07/87/86/978078786.db2.gz UEYSCWZIDBVUOI-VIFPVBQESA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)CC[C@H]2CO)c[nH+]1 ZINC001232459224 978083577 /nfs/dbraw/zinc/08/35/77/978083577.db2.gz BBFCBSPINADJRU-JTQLQIEISA-N 1 2 245.273 1.310 20 0 BDADLO Cc1[nH]cc(CN2CC(F)(F)CC[C@H]2CO)[nH+]1 ZINC001232459224 978083589 /nfs/dbraw/zinc/08/35/89/978083589.db2.gz BBFCBSPINADJRU-JTQLQIEISA-N 1 2 245.273 1.310 20 0 BDADLO CCOC(=O)[C@]12C[C@H]1CCN2Cc1c[nH+]c(C)[nH]1 ZINC001232459720 978087885 /nfs/dbraw/zinc/08/78/85/978087885.db2.gz HLRPYUCXGHWVSU-MFKMUULPSA-N 1 2 249.314 1.246 20 0 BDADLO CCOC(=O)[C@]12C[C@H]1CCN2Cc1c[nH]c(C)[nH+]1 ZINC001232459720 978087900 /nfs/dbraw/zinc/08/79/00/978087900.db2.gz HLRPYUCXGHWVSU-MFKMUULPSA-N 1 2 249.314 1.246 20 0 BDADLO CCc1[nH+]ccc(C)c1Nc1cnn(CCO)c1 ZINC001176473399 978094973 /nfs/dbraw/zinc/09/49/73/978094973.db2.gz WGCCAJFQMRVNNX-UHFFFAOYSA-N 1 2 246.314 1.885 20 0 BDADLO CC[C@@]12C[C@@H](CO1)N(Cc1c[nH+]c(C)[nH]1)C2 ZINC001232464570 978109315 /nfs/dbraw/zinc/10/93/15/978109315.db2.gz IDALABMXQDSEGX-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO CC[C@@]12C[C@@H](CO1)N(Cc1c[nH]c(C)[nH+]1)C2 ZINC001232464570 978109327 /nfs/dbraw/zinc/10/93/27/978109327.db2.gz IDALABMXQDSEGX-RYUDHWBXSA-N 1 2 221.304 1.471 20 0 BDADLO Cc1[nH]c(CN2CCOC[C@@H]2C(C)C)c[nH+]1 ZINC001232464030 978109375 /nfs/dbraw/zinc/10/93/75/978109375.db2.gz SHVPTOVMCIPMEZ-GFCCVEGCSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c(F)c1 ZINC001277671121 978136104 /nfs/dbraw/zinc/13/61/04/978136104.db2.gz CSHWXFYBTLFNQZ-SMDDNHRTSA-N 1 2 248.301 1.584 20 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978669499 /nfs/dbraw/zinc/66/94/99/978669499.db2.gz UZZOFDXAQCGWLD-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO Cc1oncc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179105023 978669506 /nfs/dbraw/zinc/66/95/06/978669506.db2.gz UZZOFDXAQCGWLD-QMMMGPOBSA-N 1 2 248.286 1.201 20 0 BDADLO CC[NH+]1CC(Oc2ccc(C(=O)NC)cc2)C1 ZINC001233979766 978747714 /nfs/dbraw/zinc/74/77/14/978747714.db2.gz DCJXYMACPPURBH-UHFFFAOYSA-N 1 2 234.299 1.129 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]Cc2nnc(CO)[nH]2)C[C@@H]1C ZINC001179842068 978763401 /nfs/dbraw/zinc/76/34/01/978763401.db2.gz AVZKBONRKVGOSB-KXUCPTDWSA-N 1 2 238.335 1.211 20 0 BDADLO C[C@@H](CC(F)(F)F)C(=O)NCCn1cc[nH+]c1 ZINC001179857383 978770437 /nfs/dbraw/zinc/77/04/37/978770437.db2.gz HHXUFZJIBQSJIL-QMMMGPOBSA-N 1 2 249.236 1.588 20 0 BDADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1F ZINC001339100315 978791830 /nfs/dbraw/zinc/79/18/30/978791830.db2.gz MWVXAJHXHXNBRM-AVGNSLFASA-N 1 2 248.301 1.647 20 0 BDADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1F ZINC001339100315 978791835 /nfs/dbraw/zinc/79/18/35/978791835.db2.gz MWVXAJHXHXNBRM-AVGNSLFASA-N 1 2 248.301 1.647 20 0 BDADLO COc1nsc(C[N@@H+]2CC[C@H](O)C2)c1Cl ZINC001179970132 978800246 /nfs/dbraw/zinc/80/02/46/978800246.db2.gz UANSKQPVHDKNHP-LURJTMIESA-N 1 2 248.735 1.372 20 0 BDADLO COc1nsc(C[N@H+]2CC[C@H](O)C2)c1Cl ZINC001179970132 978800261 /nfs/dbraw/zinc/80/02/61/978800261.db2.gz UANSKQPVHDKNHP-LURJTMIESA-N 1 2 248.735 1.372 20 0 BDADLO C[C@H](CC(=O)NC1C[NH+](C)C1)C(F)(F)F ZINC001180091421 978810238 /nfs/dbraw/zinc/81/02/38/978810238.db2.gz XVUHHRZTRSRGDM-ZCFIWIBFSA-N 1 2 224.226 1.005 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001339345147 978838332 /nfs/dbraw/zinc/83/83/32/978838332.db2.gz HEYVAJXDPOGHRB-DCAQKATOSA-N 1 2 223.320 1.995 20 0 BDADLO CC[C@@H](O)C(=O)Oc1cc2[nH]ccc2c[nH+]1 ZINC001234529358 978856386 /nfs/dbraw/zinc/85/63/86/978856386.db2.gz MKMCJLZVVZXKAK-SECBINFHSA-N 1 2 220.228 1.239 20 0 BDADLO C[C@@H](C(=O)N1CC(C)(C)C1)n1cc[nH+]c1 ZINC001339535197 978864886 /nfs/dbraw/zinc/86/48/86/978864886.db2.gz GPMPYNMMVCCARZ-VIFPVBQESA-N 1 2 207.277 1.313 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001180463692 978889275 /nfs/dbraw/zinc/88/92/75/978889275.db2.gz PXZQLBXCXFSSIK-VXGBXAGGSA-N 1 2 247.342 1.824 20 0 BDADLO C[C@]1(C(=O)Nc2cc[nH+]c3c2CCC3)CCCO1 ZINC001180470241 978892795 /nfs/dbraw/zinc/89/27/95/978892795.db2.gz PYADNUSOIREIPS-CQSZACIVSA-N 1 2 246.310 1.500 20 0 BDADLO Fc1cnc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)nc1 ZINC001235019254 978955620 /nfs/dbraw/zinc/95/56/20/978955620.db2.gz WJNOGLORAVBDCG-UWVGGRQHSA-N 1 2 237.278 1.084 20 0 BDADLO Fc1cnc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)nc1 ZINC001235019254 978955626 /nfs/dbraw/zinc/95/56/26/978955626.db2.gz WJNOGLORAVBDCG-UWVGGRQHSA-N 1 2 237.278 1.084 20 0 BDADLO CC(=O)C[C@H](C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001181252189 979020022 /nfs/dbraw/zinc/02/00/22/979020022.db2.gz RZMQBHQISUNDEL-VIFPVBQESA-N 1 2 246.310 1.546 20 0 BDADLO CC(C)[C@H](C)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181229167 979024224 /nfs/dbraw/zinc/02/42/24/979024224.db2.gz IJVNRWUCRHPYJW-VIFPVBQESA-N 1 2 221.304 1.367 20 0 BDADLO CCn1cc(NC(=O)Cc2cc[nH+]c(N)c2)cn1 ZINC001181229079 979024075 /nfs/dbraw/zinc/02/40/75/979024075.db2.gz GOCNQQIHLJXQJC-UHFFFAOYSA-N 1 2 245.286 1.061 20 0 BDADLO Nc1cc(CC(=O)NC[C@H]2C[C@H](F)C2)cc[nH+]1 ZINC001181264629 979029658 /nfs/dbraw/zinc/02/96/58/979029658.db2.gz KURIBDVLFVJKSY-MGCOHNPYSA-N 1 2 237.278 1.071 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181257785 979041607 /nfs/dbraw/zinc/04/16/07/979041607.db2.gz VBMAPGKPSQDXHQ-LLVKDONJSA-N 1 2 247.342 1.711 20 0 BDADLO Cc1[nH+]cn(C)c1CN1CCC(F)(F)[C@H](F)C1 ZINC001235539674 979075978 /nfs/dbraw/zinc/07/59/78/979075978.db2.gz YEUMEXUMGPJQML-SNVBAGLBSA-N 1 2 247.264 1.908 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC001340811507 979116816 /nfs/dbraw/zinc/11/68/16/979116816.db2.gz ZDGOQSOCVJYVEH-ZMLRMANQSA-N 1 2 244.294 1.284 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@H]1CCOC1 ZINC001340810145 979117284 /nfs/dbraw/zinc/11/72/84/979117284.db2.gz IPEZXEVUFCGFPJ-MVZIDQBPSA-N 1 2 246.310 1.652 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235681988 979121072 /nfs/dbraw/zinc/12/10/72/979121072.db2.gz GKRCKHQREYIKCE-JTQLQIEISA-N 1 2 249.289 1.923 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC001235681988 979121075 /nfs/dbraw/zinc/12/10/75/979121075.db2.gz GKRCKHQREYIKCE-JTQLQIEISA-N 1 2 249.289 1.923 20 0 BDADLO Cc1nc(F)ccc1C[NH+]1CC2(COC2)C1 ZINC001235812059 979159499 /nfs/dbraw/zinc/15/94/99/979159499.db2.gz WBECRYQYFOAFSG-UHFFFAOYSA-N 1 2 222.263 1.361 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCO1 ZINC001181582761 979172854 /nfs/dbraw/zinc/17/28/54/979172854.db2.gz KZVKOWPNZCUXNI-SECBINFHSA-N 1 2 217.228 1.062 20 0 BDADLO CO[C@@H](C)CC(=O)NCCOc1cc[nH+]cc1 ZINC001181607599 979203747 /nfs/dbraw/zinc/20/37/47/979203747.db2.gz JBEMGTKHHKNPDX-JTQLQIEISA-N 1 2 238.287 1.002 20 0 BDADLO Cc1ccc(Nc2ccc(C(N)=O)nc2)c(C)[nH+]1 ZINC001203367669 979264808 /nfs/dbraw/zinc/26/48/08/979264808.db2.gz NWNSGZMHGWXONO-UHFFFAOYSA-N 1 2 242.282 1.936 20 0 BDADLO C[NH+]1CC(NC(=O)[C@@H]2CCc3ccccc32)C1 ZINC001181763449 979285796 /nfs/dbraw/zinc/28/57/96/979285796.db2.gz OSZAXWXHTLONOA-CYBMUJFWSA-N 1 2 230.311 1.147 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1CCC(=O)C1 ZINC001181865925 979344019 /nfs/dbraw/zinc/34/40/19/979344019.db2.gz HNZCPUIOGXSIDJ-VIFPVBQESA-N 1 2 244.294 1.300 20 0 BDADLO CCC1(CC)C[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC001181888756 979360206 /nfs/dbraw/zinc/36/02/06/979360206.db2.gz XVKMKJVWWHIATQ-GFCCVEGCSA-N 1 2 249.358 1.905 20 0 BDADLO COc1c(F)ccc(F)c1C[N@H+](C)CCO ZINC001236255499 979460383 /nfs/dbraw/zinc/46/03/83/979460383.db2.gz FEVGQEPJDZNBPR-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO COc1c(F)ccc(F)c1C[N@@H+](C)CCO ZINC001236255499 979460386 /nfs/dbraw/zinc/46/03/86/979460386.db2.gz FEVGQEPJDZNBPR-UHFFFAOYSA-N 1 2 231.242 1.398 20 0 BDADLO [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2 ZINC001236251398 979473684 /nfs/dbraw/zinc/47/36/84/979473684.db2.gz SWCDOTYVIRHRRK-CQSZACIVSA-N 1 2 245.370 1.968 20 0 BDADLO [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2 ZINC001236251398 979473687 /nfs/dbraw/zinc/47/36/87/979473687.db2.gz SWCDOTYVIRHRRK-CQSZACIVSA-N 1 2 245.370 1.968 20 0 BDADLO C[C@@]1(C[NH+]2CC(OC(F)F)C2)CCCCO1 ZINC001182228363 979478512 /nfs/dbraw/zinc/47/85/12/979478512.db2.gz XXGWRNYLRRCVDR-NSHDSACASA-N 1 2 235.274 1.869 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)CNC(=O)C3)c[nH+]1 ZINC001236313075 979522382 /nfs/dbraw/zinc/52/23/82/979522382.db2.gz HSPODBBITLFSNX-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001603868438 979534933 /nfs/dbraw/zinc/53/49/33/979534933.db2.gz CFSBXGVCJGVXKA-WDEREUQCSA-N 1 2 228.336 1.170 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001603868438 979534940 /nfs/dbraw/zinc/53/49/40/979534940.db2.gz CFSBXGVCJGVXKA-WDEREUQCSA-N 1 2 228.336 1.170 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)C(=O)C1CC1 ZINC001182665019 979585884 /nfs/dbraw/zinc/58/58/84/979585884.db2.gz OGJXHPCEKOHQES-UHFFFAOYSA-N 1 2 229.239 1.252 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)C(=O)C1CC1 ZINC001182672079 979590729 /nfs/dbraw/zinc/59/07/29/979590729.db2.gz WBRLRWYBCNHOKX-UHFFFAOYSA-N 1 2 247.298 1.203 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)o1 ZINC001341914217 979592112 /nfs/dbraw/zinc/59/21/12/979592112.db2.gz YTBPMWUFEAJQMV-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](c3noc(C)n3)C2)o1 ZINC001341914217 979592121 /nfs/dbraw/zinc/59/21/21/979592121.db2.gz YTBPMWUFEAJQMV-VIFPVBQESA-N 1 2 249.274 1.059 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccnc2Cl)C[C@H]1O ZINC001236613950 979676397 /nfs/dbraw/zinc/67/63/97/979676397.db2.gz LJXQZYBUORACRY-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccnc2Cl)C[C@H]1O ZINC001236613950 979676399 /nfs/dbraw/zinc/67/63/99/979676399.db2.gz LJXQZYBUORACRY-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO Oc1cc(CN2CCn3c[nH+]cc3C2)ccc1F ZINC001236709687 979700669 /nfs/dbraw/zinc/70/06/69/979700669.db2.gz GNVYYGPKSCMLOU-UHFFFAOYSA-N 1 2 247.273 1.744 20 0 BDADLO S=C1C=COC1C[NH+]1CC2(C1)CCCO2 ZINC001237182974 979833881 /nfs/dbraw/zinc/83/38/81/979833881.db2.gz VJVJPDRPMVOHMB-UHFFFAOYSA-N 1 2 225.313 1.933 20 0 BDADLO S=C1C=COC1C[N@@H+]1CCN2CC[C@H]1C2 ZINC001237192350 979843107 /nfs/dbraw/zinc/84/31/07/979843107.db2.gz UIXHOZNDUSICBM-VIFPVBQESA-N 1 2 224.329 1.458 20 0 BDADLO S=C1C=COC1C[N@H+]1CCN2CC[C@H]1C2 ZINC001237192350 979843113 /nfs/dbraw/zinc/84/31/13/979843113.db2.gz UIXHOZNDUSICBM-VIFPVBQESA-N 1 2 224.329 1.458 20 0 BDADLO O[C@H]1C[N@H+](Cc2cc3ccccn3n2)CC[C@@H]1F ZINC001237438518 979890962 /nfs/dbraw/zinc/89/09/62/979890962.db2.gz IAGPHLMNTCCASJ-STQMWFEESA-N 1 2 249.289 1.239 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cc3ccccn3n2)CC[C@@H]1F ZINC001237438518 979890968 /nfs/dbraw/zinc/89/09/68/979890968.db2.gz IAGPHLMNTCCASJ-STQMWFEESA-N 1 2 249.289 1.239 20 0 BDADLO Nc1ccc(CCC(=O)Nc2ncccn2)c[nH+]1 ZINC001183932738 979902325 /nfs/dbraw/zinc/90/23/25/979902325.db2.gz VLIBHRCGZIFLBA-UHFFFAOYSA-N 1 2 243.270 1.025 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(Cl)ccnc2F)C[C@@H]1O ZINC001183991603 979926096 /nfs/dbraw/zinc/92/60/96/979926096.db2.gz MCBWYNMONHXBDI-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(Cl)ccnc2F)C[C@@H]1O ZINC001183991603 979926104 /nfs/dbraw/zinc/92/61/04/979926104.db2.gz MCBWYNMONHXBDI-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO COc1c(C)cccc1C[N@H+](C)C1COC1 ZINC001237511212 979927906 /nfs/dbraw/zinc/92/79/06/979927906.db2.gz QHGJNYYMUXJPIN-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO COc1c(C)cccc1C[N@@H+](C)C1COC1 ZINC001237511212 979927911 /nfs/dbraw/zinc/92/79/11/979927911.db2.gz QHGJNYYMUXJPIN-UHFFFAOYSA-N 1 2 221.300 1.834 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccn2nccc2c1 ZINC001237541797 979936756 /nfs/dbraw/zinc/93/67/56/979936756.db2.gz FUJPFPQYQLMYSB-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccn2nccc2c1 ZINC001237541797 979936760 /nfs/dbraw/zinc/93/67/60/979936760.db2.gz FUJPFPQYQLMYSB-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO Cn1cccc1C[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001203270371 979945644 /nfs/dbraw/zinc/94/56/44/979945644.db2.gz JFCHEBHHJGMUIE-UHFFFAOYSA-N 1 2 247.342 1.270 20 0 BDADLO Cn1cccc1C[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001203270371 979945647 /nfs/dbraw/zinc/94/56/47/979945647.db2.gz JFCHEBHHJGMUIE-UHFFFAOYSA-N 1 2 247.342 1.270 20 0 BDADLO Cc1coc(C[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001237636450 979988656 /nfs/dbraw/zinc/98/86/56/979988656.db2.gz ZRPRYKCDNDZKKZ-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1coc(C[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001237636450 979988665 /nfs/dbraw/zinc/98/86/65/979988665.db2.gz ZRPRYKCDNDZKKZ-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H](C)C(=O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184316058 980002958 /nfs/dbraw/zinc/00/29/58/980002958.db2.gz DNFPUSYZWXBPGD-SECBINFHSA-N 1 2 246.310 1.546 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCn2cncc2C1 ZINC001237652887 980005939 /nfs/dbraw/zinc/00/59/39/980005939.db2.gz ACXCGRLNYUPZMS-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCn2cncc2C1 ZINC001237652887 980005945 /nfs/dbraw/zinc/00/59/45/980005945.db2.gz ACXCGRLNYUPZMS-UHFFFAOYSA-N 1 2 231.303 1.184 20 0 BDADLO CCc1[nH]ncc1C[N@@H+]1CCCOCC1 ZINC001237652801 980010177 /nfs/dbraw/zinc/01/01/77/980010177.db2.gz XVHQXCKZBPWEFH-UHFFFAOYSA-N 1 2 209.293 1.194 20 0 BDADLO CCc1n[nH]cc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001237660464 980021803 /nfs/dbraw/zinc/02/18/03/980021803.db2.gz ZOYYDLSGSHYVHN-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO CCc1n[nH]cc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001237660464 980021810 /nfs/dbraw/zinc/02/18/10/980021810.db2.gz ZOYYDLSGSHYVHN-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001237716840 980038390 /nfs/dbraw/zinc/03/83/90/980038390.db2.gz XBCRCEXNWQNZCG-KGLIPLIRSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001237716840 980038398 /nfs/dbraw/zinc/03/83/98/980038398.db2.gz XBCRCEXNWQNZCG-KGLIPLIRSA-N 1 2 233.311 1.977 20 0 BDADLO CC(=O)[C@@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184335532 980041194 /nfs/dbraw/zinc/04/11/94/980041194.db2.gz JXJOMLYDZNJJGR-VIFPVBQESA-N 1 2 245.282 1.888 20 0 BDADLO CCOC[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC001343222191 980041500 /nfs/dbraw/zinc/04/15/00/980041500.db2.gz DWKUNXNVPIEXMJ-LURJTMIESA-N 1 2 235.234 1.522 20 0 BDADLO CC(=O)[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C1 ZINC001237805793 980055053 /nfs/dbraw/zinc/05/50/53/980055053.db2.gz GCGQIMALHMDCHS-LLVKDONJSA-N 1 2 219.288 1.196 20 0 BDADLO CC(=O)[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001237805793 980055061 /nfs/dbraw/zinc/05/50/61/980055061.db2.gz GCGQIMALHMDCHS-LLVKDONJSA-N 1 2 219.288 1.196 20 0 BDADLO CNc1cc(CCCC(=O)OC)cc[nH+]1 ZINC001250147632 980058287 /nfs/dbraw/zinc/05/82/87/980058287.db2.gz YZIBBQWCSQXVKV-UHFFFAOYSA-N 1 2 208.261 1.619 20 0 BDADLO Cc1nc(C[NH+]2CC3(COC3)C2)ccc1F ZINC001237812128 980058376 /nfs/dbraw/zinc/05/83/76/980058376.db2.gz AWPOPRZKDIVYCA-UHFFFAOYSA-N 1 2 222.263 1.361 20 0 BDADLO CO[C@H](C)C1C[NH+](Cc2ncc(C)cn2)C1 ZINC001237811808 980061807 /nfs/dbraw/zinc/06/18/07/980061807.db2.gz XJWKJVXTJFIGNB-SNVBAGLBSA-N 1 2 221.304 1.252 20 0 BDADLO CCN1CC[N@H+](Cc2c[nH]ccc2=O)C(C)(C)C1 ZINC001237844868 980098050 /nfs/dbraw/zinc/09/80/50/980098050.db2.gz PNSQXEHSDLCTQD-UHFFFAOYSA-N 1 2 249.358 1.291 20 0 BDADLO CCN1CC[N@@H+](Cc2c[nH]ccc2=O)C(C)(C)C1 ZINC001237844868 980098060 /nfs/dbraw/zinc/09/80/60/980098060.db2.gz PNSQXEHSDLCTQD-UHFFFAOYSA-N 1 2 249.358 1.291 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)C[C@H]1[NH3+] ZINC001607438467 980106314 /nfs/dbraw/zinc/10/63/14/980106314.db2.gz DVVMFIHUKUUABL-BXKDBHETSA-N 1 2 234.299 1.164 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)C[C@H]1[NH3+] ZINC001607438467 980106319 /nfs/dbraw/zinc/10/63/19/980106319.db2.gz DVVMFIHUKUUABL-BXKDBHETSA-N 1 2 234.299 1.164 20 0 BDADLO Cc1[nH+]c(C(=O)[O-])cn1CCC1CC[NH2+]CC1 ZINC001607946374 980142119 /nfs/dbraw/zinc/14/21/19/980142119.db2.gz JHDXAQCIMNABEB-UHFFFAOYSA-N 1 2 237.303 1.279 20 0 BDADLO CC[N@H+](Cc1ncc(C)o1)[C@H](C)CNC(C)=O ZINC001151425733 980153605 /nfs/dbraw/zinc/15/36/05/980153605.db2.gz YBNCHWFIZQUCKP-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO CC[N@@H+](Cc1ncc(C)o1)[C@H](C)CNC(C)=O ZINC001151425733 980153609 /nfs/dbraw/zinc/15/36/09/980153609.db2.gz YBNCHWFIZQUCKP-SECBINFHSA-N 1 2 239.319 1.330 20 0 BDADLO C[N@H+](Cc1cncc(C2CC2)c1)C1COC1 ZINC001238191497 980220663 /nfs/dbraw/zinc/22/06/63/980220663.db2.gz XORCELBOQHGBKO-UHFFFAOYSA-N 1 2 218.300 1.790 20 0 BDADLO C[N@@H+](Cc1cncc(C2CC2)c1)C1COC1 ZINC001238191497 980220667 /nfs/dbraw/zinc/22/06/67/980220667.db2.gz XORCELBOQHGBKO-UHFFFAOYSA-N 1 2 218.300 1.790 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)C1CC1 ZINC001343724577 980223126 /nfs/dbraw/zinc/22/31/26/980223126.db2.gz IRAVHRWSRJJJAF-UHFFFAOYSA-N 1 2 208.261 1.306 20 0 BDADLO Cc1coc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC001608584589 980238069 /nfs/dbraw/zinc/23/80/69/980238069.db2.gz JFUAQLSIKNPONL-UHFFFAOYSA-N 1 2 245.282 1.825 20 0 BDADLO Cc1cnc(C[NH+]2CC(N3CC(F)C3)C2)c(C)c1 ZINC001238427483 980254255 /nfs/dbraw/zinc/25/42/55/980254255.db2.gz VRGKAMMNVMMXAW-UHFFFAOYSA-N 1 2 249.333 1.536 20 0 BDADLO Cc1cnc(C[NH+]2CC(C)(O)C2)c(C)c1 ZINC001238427176 980255115 /nfs/dbraw/zinc/25/51/15/980255115.db2.gz RBQJQSVQUCRAPY-UHFFFAOYSA-N 1 2 206.289 1.265 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(C)c1 ZINC001238434050 980262535 /nfs/dbraw/zinc/26/25/35/980262535.db2.gz YYUSXZFJYPCGHR-RYUDHWBXSA-N 1 2 218.300 1.672 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(C)c1 ZINC001238434050 980262545 /nfs/dbraw/zinc/26/25/45/980262545.db2.gz YYUSXZFJYPCGHR-RYUDHWBXSA-N 1 2 218.300 1.672 20 0 BDADLO c1nocc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001203232394 980351391 /nfs/dbraw/zinc/35/13/91/980351391.db2.gz USKGRYVTXBAPAR-UHFFFAOYSA-N 1 2 246.270 1.650 20 0 BDADLO CC[NH+]1CC(OCCC(=O)c2ccccc2)C1 ZINC001205350562 980371072 /nfs/dbraw/zinc/37/10/72/980371072.db2.gz WDXXZWQDHLZXGK-UHFFFAOYSA-N 1 2 233.311 1.980 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000074673202 980383101 /nfs/dbraw/zinc/38/31/01/980383101.db2.gz XFVOFUVMZYNPNA-SNVBAGLBSA-N 1 2 229.283 1.830 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=O)NCC1CC1 ZINC001186603611 980421937 /nfs/dbraw/zinc/42/19/37/980421937.db2.gz CEBWWUOGNBMQNW-UHFFFAOYSA-N 1 2 236.319 1.325 20 0 BDADLO CC(C)(O)/C=C/c1cc[nH+]c(N2CCOCC2)c1 ZINC001239151800 980467353 /nfs/dbraw/zinc/46/73/53/980467353.db2.gz RWIJBQILCMBWDV-HWKANZROSA-N 1 2 248.326 1.702 20 0 BDADLO Cc1c[nH+]c(C)c(-n2cnc(N)c3ccnc2-3)c1 ZINC001203653989 980473573 /nfs/dbraw/zinc/47/35/73/980473573.db2.gz APRLOZSNRKKYMA-UHFFFAOYSA-N 1 2 239.282 1.966 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2ncnn3cccc23)c1 ZINC001203654079 980475651 /nfs/dbraw/zinc/47/56/51/980475651.db2.gz CNRBPDJRUQFLLJ-UHFFFAOYSA-N 1 2 239.282 1.907 20 0 BDADLO O=C([C@@H]1CCC=N1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001187366030 980505830 /nfs/dbraw/zinc/50/58/30/980505830.db2.gz SNIVAYWUPCWNDS-MNOVXSKESA-N 1 2 246.314 1.349 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cc(C)n(C)c2)[nH+]1 ZINC001188078128 980591139 /nfs/dbraw/zinc/59/11/39/980591139.db2.gz QPGNSEMVVKBKJY-UHFFFAOYSA-N 1 2 246.314 1.338 20 0 BDADLO CO[C@@H](C)CC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345331433 980602463 /nfs/dbraw/zinc/60/24/63/980602463.db2.gz MIHDDUGMXSDRJU-JTQLQIEISA-N 1 2 240.303 1.586 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cc(F)c[nH]2)[nH+]1 ZINC001188491100 980657103 /nfs/dbraw/zinc/65/71/03/980657103.db2.gz JUBRGLJEWKSSES-UHFFFAOYSA-N 1 2 236.250 1.158 20 0 BDADLO CNc1ccc(CC(=O)N2CCCC2)c[nH+]1 ZINC001250293392 980705286 /nfs/dbraw/zinc/70/52/86/980705286.db2.gz RDCBYNIWHFAGBJ-UHFFFAOYSA-N 1 2 219.288 1.288 20 0 BDADLO CCC[C@@H](OC)C(=O)OCc1c[nH+]cn1CC ZINC001345995499 980727184 /nfs/dbraw/zinc/72/71/84/980727184.db2.gz CACCKKKUMFGQRR-LLVKDONJSA-N 1 2 240.303 1.761 20 0 BDADLO Cc1cccc(C)c1C(=O)NC1C[NH+](C)C1 ZINC001189060376 980736432 /nfs/dbraw/zinc/73/64/32/980736432.db2.gz QMEXCKHTAKKBLE-UHFFFAOYSA-N 1 2 218.300 1.347 20 0 BDADLO CSc1ncc(CCn2cc[nH+]c2)cn1 ZINC001250316703 980756289 /nfs/dbraw/zinc/75/62/89/980756289.db2.gz TXRVPIUEMWLSAR-UHFFFAOYSA-N 1 2 220.301 1.638 20 0 BDADLO COc1nccc(CCn2cc[nH+]c2)c1OC ZINC001250319923 980761322 /nfs/dbraw/zinc/76/13/22/980761322.db2.gz VWPFFTLPPGLUCW-UHFFFAOYSA-N 1 2 233.271 1.538 20 0 BDADLO COc1cc(CCn2cc[nH+]c2)ccc1N ZINC001250320531 980761634 /nfs/dbraw/zinc/76/16/34/980761634.db2.gz OCYLOHXUQSHZHJ-UHFFFAOYSA-N 1 2 217.272 1.717 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC001346178174 980777985 /nfs/dbraw/zinc/77/79/85/980777985.db2.gz GBTOYUAPPLGIGH-YIZRAAEISA-N 1 2 243.257 1.289 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001346279929 980802063 /nfs/dbraw/zinc/80/20/63/980802063.db2.gz PPVSXJQAVBVXSU-NXEZZACHSA-N 1 2 221.304 1.125 20 0 BDADLO COc1ncc(-c2cc[nH+]c3c2CCN3)cc1N ZINC001239650238 980826422 /nfs/dbraw/zinc/82/64/22/980826422.db2.gz LARGUGRCIDMBTJ-UHFFFAOYSA-N 1 2 242.282 1.702 20 0 BDADLO Nc1cc(Cl)[nH+]c(NCCn2ccnn2)c1 ZINC000157146430 980843011 /nfs/dbraw/zinc/84/30/11/980843011.db2.gz KUKYAMGVAWITKA-UHFFFAOYSA-N 1 2 238.682 1.021 20 0 BDADLO Cc1noc(Cc2ccc(C)[nH+]c2C)n1 ZINC001250356770 980855034 /nfs/dbraw/zinc/85/50/34/980855034.db2.gz KJLRKEMVWYVEPY-UHFFFAOYSA-N 1 2 203.245 1.981 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC001346750626 980899831 /nfs/dbraw/zinc/89/98/31/980899831.db2.gz LJAXNPSJRIGSMW-PHIMTYICSA-N 1 2 247.342 1.467 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC001346841599 980918569 /nfs/dbraw/zinc/91/85/69/980918569.db2.gz CVUGBBCFIJQLFJ-XVKPBYJWSA-N 1 2 232.291 1.105 20 0 BDADLO CNc1cc(CNC(=O)N[C@H]2CC[C@H]2C)cc[nH+]1 ZINC001346970002 980940723 /nfs/dbraw/zinc/94/07/23/980940723.db2.gz COMYHPGHDHNILK-KOLCDFICSA-N 1 2 248.330 1.721 20 0 BDADLO Cc1cccc(CNC(=O)NC2C[NH+](C)C2)c1 ZINC001191009460 980958343 /nfs/dbraw/zinc/95/83/43/980958343.db2.gz JVVICVRXVCZZFB-UHFFFAOYSA-N 1 2 233.315 1.108 20 0 BDADLO CC[C@@H](C)[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001347329333 981049251 /nfs/dbraw/zinc/04/92/51/981049251.db2.gz JXTIHQGKZWQIAX-GHMZBOCLSA-N 1 2 237.347 1.761 20 0 BDADLO CC(C)CCCC(=O)NCCc1[nH+]ccn1C ZINC001347340490 981053681 /nfs/dbraw/zinc/05/36/81/981053681.db2.gz ZPANKWVQJZZWKK-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO CC(=O)N1CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC000335708752 981091514 /nfs/dbraw/zinc/09/15/14/981091514.db2.gz BMJKMUGWJKDSCL-MRVPVSSYSA-N 1 2 238.253 1.349 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)Cn1cc[nH+]c1 ZINC001347480012 981091847 /nfs/dbraw/zinc/09/18/47/981091847.db2.gz YWCBMULEZDOXLD-UHFFFAOYSA-N 1 2 234.259 1.151 20 0 BDADLO CNC(=O)c1cccc(-c2ccc[nH+]c2N)c1 ZINC001240013933 981099349 /nfs/dbraw/zinc/09/93/49/981099349.db2.gz BOQJPGZFIUKRFX-UHFFFAOYSA-N 1 2 227.267 1.690 20 0 BDADLO CC(=O)NCc1ccc(-c2c[nH+]cn2C)cc1 ZINC001240148876 981148443 /nfs/dbraw/zinc/14/84/43/981148443.db2.gz AJYLJSKZSQXECE-UHFFFAOYSA-N 1 2 229.283 1.723 20 0 BDADLO Cn1cccc(-c2ccc3[nH+]ccn3c2)c1=O ZINC001240218262 981165800 /nfs/dbraw/zinc/16/58/00/981165800.db2.gz IMFBUVMWKREUPL-UHFFFAOYSA-N 1 2 225.251 1.700 20 0 BDADLO Cn1cc(-c2ccc3[nH+]ccn3c2)cc(F)c1=O ZINC001240222020 981176664 /nfs/dbraw/zinc/17/66/64/981176664.db2.gz UMBALUUXXHFGSW-UHFFFAOYSA-N 1 2 243.241 1.839 20 0 BDADLO Oc1cnc(NCCCNc2cccc[nH+]2)nc1 ZINC001347917756 981218689 /nfs/dbraw/zinc/21/86/89/981218689.db2.gz KYWAYOOJGABUCU-UHFFFAOYSA-N 1 2 245.286 1.491 20 0 BDADLO CCc1ccc(N2CCC[C@@H]2CCO)[nH+]c1 ZINC001348108361 981284947 /nfs/dbraw/zinc/28/49/47/981284947.db2.gz XPSVOZUYDLXBAZ-GFCCVEGCSA-N 1 2 220.316 1.995 20 0 BDADLO CCc1cnccc1[C@H](C)[NH2+]Cc1cnn[nH]1 ZINC001193293558 981287609 /nfs/dbraw/zinc/28/76/09/981287609.db2.gz NJLOQCKXDJLTTF-VIFPVBQESA-N 1 2 231.303 1.613 20 0 BDADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)CC2(CCC2)O1 ZINC001348225166 981312611 /nfs/dbraw/zinc/31/26/11/981312611.db2.gz OHMMWAIFPPLZRE-SECBINFHSA-N 1 2 234.303 1.207 20 0 BDADLO Cc1sccc1C(=O)NCCc1[nH+]ccn1C ZINC001193388081 981314427 /nfs/dbraw/zinc/31/44/27/981314427.db2.gz NLJWQJINQHDHRR-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO C[C@]12CSC[C@H]1CN(c1cc(N)nc[nH+]1)C2 ZINC001348347040 981340541 /nfs/dbraw/zinc/34/05/41/981340541.db2.gz IYSMYYAHIJFTPA-KCJUWKMLSA-N 1 2 236.344 1.248 20 0 BDADLO CCN(CCn1cc[nH+]c1)C(=O)OC(C)C ZINC001193476685 981345504 /nfs/dbraw/zinc/34/55/04/981345504.db2.gz RPQDFTISRCFZLZ-UHFFFAOYSA-N 1 2 225.292 1.750 20 0 BDADLO CC(C)OC(=O)N1CCc2[nH+]ccn2CC1 ZINC001193477826 981345562 /nfs/dbraw/zinc/34/55/62/981345562.db2.gz NBCHCBDGNQVEBK-UHFFFAOYSA-N 1 2 223.276 1.286 20 0 BDADLO CCCCOC(=O)NCc1c[nH+]cn1C ZINC001193658727 981401051 /nfs/dbraw/zinc/40/10/51/981401051.db2.gz BJBFZERTLCAAFR-UHFFFAOYSA-N 1 2 211.265 1.446 20 0 BDADLO Cc1ocnc1C(=O)OCCCc1c[nH+]cn1C ZINC001348626997 981410782 /nfs/dbraw/zinc/41/07/82/981410782.db2.gz WDVFEULUGVXUDD-UHFFFAOYSA-N 1 2 249.270 1.506 20 0 BDADLO c1cn2ccc(-c3ncnc4c3COC4)cc2[nH+]1 ZINC001240502964 981431912 /nfs/dbraw/zinc/43/19/12/981431912.db2.gz CJFSUSMKSHHIIC-UHFFFAOYSA-N 1 2 238.250 1.822 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cccc(F)c2)C1 ZINC001203784025 981509190 /nfs/dbraw/zinc/50/91/90/981509190.db2.gz AFROLYMHYVIEBG-DGCLKSJQSA-N 1 2 241.281 1.978 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2cccc(F)c2)C1 ZINC001203784025 981509196 /nfs/dbraw/zinc/50/91/96/981509196.db2.gz AFROLYMHYVIEBG-DGCLKSJQSA-N 1 2 241.281 1.978 20 0 BDADLO Cc1coc(C(=O)NCCc2[nH+]ccn2C)c1C ZINC001349277918 981525975 /nfs/dbraw/zinc/52/59/75/981525975.db2.gz NYOFMKHJJCARIJ-UHFFFAOYSA-N 1 2 247.298 1.602 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001349410110 981550572 /nfs/dbraw/zinc/55/05/72/981550572.db2.gz MWXBGHRXRYUGJL-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)Cn1nccc1C[N@H+]1CC[C@]12CCOC2 ZINC001349410110 981550584 /nfs/dbraw/zinc/55/05/84/981550584.db2.gz MWXBGHRXRYUGJL-CQSZACIVSA-N 1 2 249.358 1.904 20 0 BDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[C@H]1F ZINC001349470816 981561164 /nfs/dbraw/zinc/56/11/64/981561164.db2.gz NDIGZNBVWIPVKN-OUAUKWLOSA-N 1 2 249.289 1.135 20 0 BDADLO CO[C@H]1CCC[C@@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791277 981746857 /nfs/dbraw/zinc/74/68/57/981746857.db2.gz GIMHVMFOZMHPSU-RYUDHWBXSA-N 1 2 248.326 1.874 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1nc(C(C)(C)C)co1 ZINC001194383945 981787245 /nfs/dbraw/zinc/78/72/45/981787245.db2.gz JAMBLGJGJBPEQX-UWVGGRQHSA-N 1 2 238.331 1.927 20 0 BDADLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC001194383945 981787255 /nfs/dbraw/zinc/78/72/55/981787255.db2.gz JAMBLGJGJBPEQX-UWVGGRQHSA-N 1 2 238.331 1.927 20 0 BDADLO CC(C)[N@H+](Cc1cccc(N(C)C)n1)C1COC1 ZINC001194599337 981835955 /nfs/dbraw/zinc/83/59/55/981835955.db2.gz MHHXQKILAISIMN-UHFFFAOYSA-N 1 2 249.358 1.757 20 0 BDADLO CC(C)[N@@H+](Cc1cccc(N(C)C)n1)C1COC1 ZINC001194599337 981835961 /nfs/dbraw/zinc/83/59/61/981835961.db2.gz MHHXQKILAISIMN-UHFFFAOYSA-N 1 2 249.358 1.757 20 0 BDADLO C[NH+](C)Cc1nnc(/C=C\[C@@H]2CCOC2)o1 ZINC001349986305 981837401 /nfs/dbraw/zinc/83/74/01/981837401.db2.gz MYQRAHHSQDYVJI-ZBJFTSOASA-N 1 2 223.276 1.181 20 0 BDADLO CS(=O)(=O)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001240807517 981860893 /nfs/dbraw/zinc/86/08/93/981860893.db2.gz LOWZYJCIUBPYOV-UHFFFAOYSA-N 1 2 249.295 1.129 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC=CCC2)c1 ZINC001584478523 981872690 /nfs/dbraw/zinc/87/26/90/981872690.db2.gz OPOWQZQXEQUMON-LLVKDONJSA-N 1 2 233.315 1.435 20 0 BDADLO CC[C@@H](C)COC(=O)NCCn1cc[nH+]c1 ZINC001194756758 981886099 /nfs/dbraw/zinc/88/60/99/981886099.db2.gz ROTGWJKZZIGUDY-SNVBAGLBSA-N 1 2 225.292 1.655 20 0 BDADLO C/C(=C\C=C\[NH3+])c1cnc2c(c1)OCC(=O)N2C ZINC001240870199 981908815 /nfs/dbraw/zinc/90/88/15/981908815.db2.gz UHLPHJNVGIHPGL-BMVOEDMYSA-N 1 2 245.282 1.313 20 0 BDADLO CC[C@@H](C)COC(=O)NCCc1cn(C)c[nH+]1 ZINC001194811561 981909502 /nfs/dbraw/zinc/90/95/02/981909502.db2.gz MZXLQXNXTREQPC-SNVBAGLBSA-N 1 2 239.319 1.735 20 0 BDADLO CCn1c[nH+]cc1COC(=O)Cn1nccc1C ZINC001350343700 981935375 /nfs/dbraw/zinc/93/53/75/981935375.db2.gz HNOVPLFDRLVTSQ-UHFFFAOYSA-N 1 2 248.286 1.151 20 0 BDADLO O=C(/C=C\c1ccco1)N[C@H]1CCn2c[nH+]cc21 ZINC001585868877 981954372 /nfs/dbraw/zinc/95/43/72/981954372.db2.gz USHSRAJLTYEHPS-BYCRGOAPSA-N 1 2 243.266 1.751 20 0 BDADLO Cc1cccc(C[N@H+](C)CC2=NOCC2)n1 ZINC001195180582 982134659 /nfs/dbraw/zinc/13/46/59/982134659.db2.gz RZQYAJIVBFSJJO-UHFFFAOYSA-N 1 2 219.288 1.598 20 0 BDADLO Cc1cccc(C[N@@H+](C)CC2=NOCC2)n1 ZINC001195180582 982134679 /nfs/dbraw/zinc/13/46/79/982134679.db2.gz RZQYAJIVBFSJJO-UHFFFAOYSA-N 1 2 219.288 1.598 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001195156998 982142771 /nfs/dbraw/zinc/14/27/71/982142771.db2.gz NSEGRWZCEPNPTD-MNOVXSKESA-N 1 2 244.335 1.232 20 0 BDADLO CC[C@H](C)OC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001195156998 982142776 /nfs/dbraw/zinc/14/27/76/982142776.db2.gz NSEGRWZCEPNPTD-MNOVXSKESA-N 1 2 244.335 1.232 20 0 BDADLO CCNC(=S)N1CCC(n2cc[nH+]c2)CC1 ZINC001195332972 982242499 /nfs/dbraw/zinc/24/24/99/982242499.db2.gz HYVPUYICCOERGC-UHFFFAOYSA-N 1 2 238.360 1.414 20 0 BDADLO CCN(C(=O)c1[nH]ccc1C)C1C[NH+](C)C1 ZINC001195494802 982290175 /nfs/dbraw/zinc/29/01/75/982290175.db2.gz UEIUGCYKMWTXGY-UHFFFAOYSA-N 1 2 221.304 1.099 20 0 BDADLO COc1nccc(-c2cc[nH+]c(N)c2)c1N ZINC001241164159 982308253 /nfs/dbraw/zinc/30/82/53/982308253.db2.gz WLOUKASTGKPODU-UHFFFAOYSA-N 1 2 216.244 1.317 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC001351427194 982315271 /nfs/dbraw/zinc/31/52/71/982315271.db2.gz NYOZKLFCXZAAAZ-GFCCVEGCSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1noc([C@@H](C)NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001351618792 982342544 /nfs/dbraw/zinc/34/25/44/982342544.db2.gz ZOOMTXBRIQJFAO-MRVPVSSYSA-N 1 2 235.291 1.569 20 0 BDADLO c1cc(C[NH2+]Cc2cnn[nH]2)n(C2CC2)c1 ZINC001351619862 982343276 /nfs/dbraw/zinc/34/32/76/982343276.db2.gz PSBSXZWRSIWSTL-UHFFFAOYSA-N 1 2 217.276 1.231 20 0 BDADLO C[C@H](NC(=O)CCc1[nH+]ccn1C)c1ccc[nH]1 ZINC001351700753 982362436 /nfs/dbraw/zinc/36/24/36/982362436.db2.gz SVSGYBFEYHZPKR-JTQLQIEISA-N 1 2 246.314 1.558 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cncn1C ZINC001241244044 982388552 /nfs/dbraw/zinc/38/85/52/982388552.db2.gz UCQPMFFIVLQOAM-UHFFFAOYSA-N 1 2 216.288 1.857 20 0 BDADLO Cc1cc(N(C)C)[nH+]cc1-c1cn(C)cn1 ZINC001241244002 982389184 /nfs/dbraw/zinc/38/91/84/982389184.db2.gz REOXQAWIMHZKEQ-UHFFFAOYSA-N 1 2 216.288 1.857 20 0 BDADLO C[C@H](C(=O)N1CC(=O)CC[C@H]1C)n1cc[nH+]c1 ZINC001351807769 982396915 /nfs/dbraw/zinc/39/69/15/982396915.db2.gz ZEZWRHKYADTDOL-NXEZZACHSA-N 1 2 235.287 1.024 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC1CC=CC1 ZINC001351995016 982431751 /nfs/dbraw/zinc/43/17/51/982431751.db2.gz NOTHFYWEVXFBEY-UHFFFAOYSA-N 1 2 219.288 1.188 20 0 BDADLO O=C(CCCF)N1CCC[N@H+](CCF)CC1 ZINC001196799809 982493403 /nfs/dbraw/zinc/49/34/03/982493403.db2.gz VTRCJLKOUWESPL-UHFFFAOYSA-N 1 2 234.290 1.240 20 0 BDADLO O=C(CCCF)N1CCC[N@@H+](CCF)CC1 ZINC001196799809 982493409 /nfs/dbraw/zinc/49/34/09/982493409.db2.gz VTRCJLKOUWESPL-UHFFFAOYSA-N 1 2 234.290 1.240 20 0 BDADLO CCn1ccc(NC(=O)CCc2[nH+]ccn2C)n1 ZINC001352434355 982525902 /nfs/dbraw/zinc/52/59/02/982525902.db2.gz XLKLPJSQKKNAIY-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ncccn2)O1 ZINC001197303695 982550001 /nfs/dbraw/zinc/55/00/01/982550001.db2.gz FHRBVFUEBAQDBK-MNOVXSKESA-N 1 2 221.304 1.476 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ncccn2)O1 ZINC001197303695 982550008 /nfs/dbraw/zinc/55/00/08/982550008.db2.gz FHRBVFUEBAQDBK-MNOVXSKESA-N 1 2 221.304 1.476 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)[nH]1 ZINC001197335306 982557962 /nfs/dbraw/zinc/55/79/62/982557962.db2.gz LJZKMMCGRDDOJA-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2[C@H](C)CC[C@@H]2CO)[nH]1 ZINC001197335306 982557965 /nfs/dbraw/zinc/55/79/65/982557965.db2.gz LJZKMMCGRDDOJA-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cnn(C(C)C)c1 ZINC001300093280 982562213 /nfs/dbraw/zinc/56/22/13/982562213.db2.gz IYBCTBVCIAJRNQ-NSHDSACASA-N 1 2 236.319 1.497 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cnn(C(C)C)c1 ZINC001300093280 982562221 /nfs/dbraw/zinc/56/22/21/982562221.db2.gz IYBCTBVCIAJRNQ-NSHDSACASA-N 1 2 236.319 1.497 20 0 BDADLO CC(C)n1ccc(C[N@H+](C)CCn2cnnc2)n1 ZINC001197457296 982570882 /nfs/dbraw/zinc/57/08/82/982570882.db2.gz BIABLXUXBRKZPS-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO CC(C)n1ccc(C[N@@H+](C)CCn2cnnc2)n1 ZINC001197457296 982570887 /nfs/dbraw/zinc/57/08/87/982570887.db2.gz BIABLXUXBRKZPS-UHFFFAOYSA-N 1 2 248.334 1.188 20 0 BDADLO C[NH+](C)Cc1cccnc1Br ZINC000238333074 982584731 /nfs/dbraw/zinc/58/47/31/982584731.db2.gz UQFOLRQODZDXIG-UHFFFAOYSA-N 1 2 215.094 1.906 20 0 BDADLO CC[C@@H](O)C[N@H+]1Cc2cn[nH]c2C[C@@H](C)C1 ZINC001197785905 982593211 /nfs/dbraw/zinc/59/32/11/982593211.db2.gz LLSKIHMMFQFLKV-MWLCHTKSSA-N 1 2 223.320 1.175 20 0 BDADLO Cc1nc(CNC(=O)CCn2cc[nH+]c2)oc1C ZINC001352841972 982596981 /nfs/dbraw/zinc/59/69/81/982596981.db2.gz ZGUMDAYVJFLESJ-UHFFFAOYSA-N 1 2 248.286 1.194 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)[C@]1(C)C=CCC1 ZINC001352887749 982624904 /nfs/dbraw/zinc/62/49/04/982624904.db2.gz RSJUDGVXUFLTBA-CYBMUJFWSA-N 1 2 233.315 1.435 20 0 BDADLO CN(CC1CCC1)C(=O)CCc1[nH+]ccn1C ZINC001352900968 982627947 /nfs/dbraw/zinc/62/79/47/982627947.db2.gz OJSUIZHPQFYVSK-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO COC[C@@](C)(CO)[NH2+]Cc1ncoc1C(C)C ZINC001352918165 982637433 /nfs/dbraw/zinc/63/74/33/982637433.db2.gz XKZGTHQCOSPGMH-GFCCVEGCSA-N 1 2 242.319 1.285 20 0 BDADLO c1nnc(C[NH2+]C2([C@H]3CCCCO3)CCC2)[nH]1 ZINC001352929838 982641294 /nfs/dbraw/zinc/64/12/94/982641294.db2.gz MBEXEYFLJOZXGS-SNVBAGLBSA-N 1 2 236.319 1.386 20 0 BDADLO Cc1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2)o1 ZINC001352959983 982647447 /nfs/dbraw/zinc/64/74/47/982647447.db2.gz CMHDYDLSOPMYID-JTQLQIEISA-N 1 2 233.271 1.662 20 0 BDADLO C=C/C=C/CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001352998308 982655994 /nfs/dbraw/zinc/65/59/94/982655994.db2.gz MRLPSOGDPSSYIW-ZWNMCFTASA-N 1 2 219.288 1.693 20 0 BDADLO C=C/C=C\CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001352998303 982660131 /nfs/dbraw/zinc/66/01/31/982660131.db2.gz MRLPSOGDPSSYIW-DOGVGXBMSA-N 1 2 219.288 1.693 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001251753797 982664818 /nfs/dbraw/zinc/66/48/18/982664818.db2.gz IFLFFLZDCVTVDK-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001251753797 982664823 /nfs/dbraw/zinc/66/48/23/982664823.db2.gz IFLFFLZDCVTVDK-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001251763982 982674843 /nfs/dbraw/zinc/67/48/43/982674843.db2.gz UEHBVIIMGHJVDZ-WCBMZHEXSA-N 1 2 210.277 1.318 20 0 BDADLO CC[C@@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001251788079 982688636 /nfs/dbraw/zinc/68/86/36/982688636.db2.gz XKLXMJQJVJEMAU-SNVBAGLBSA-N 1 2 219.288 1.756 20 0 BDADLO C[C@H](C(=O)NCCn1cccc1)n1cc[nH+]c1 ZINC000081784430 982748531 /nfs/dbraw/zinc/74/85/31/982748531.db2.gz UBACGPQIEZGAGS-LLVKDONJSA-N 1 2 232.287 1.062 20 0 BDADLO C=C/C=C/CCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001353227614 982789660 /nfs/dbraw/zinc/78/96/60/982789660.db2.gz HNGZCZIRQWOQPM-FYJFLYSWSA-N 1 2 239.315 1.383 20 0 BDADLO C=C/C=C/CCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001353227614 982789670 /nfs/dbraw/zinc/78/96/70/982789670.db2.gz HNGZCZIRQWOQPM-FYJFLYSWSA-N 1 2 239.315 1.383 20 0 BDADLO C[N@H+](Cc1cnn[nH]1)C[C@]12CCC[C@H]1OCC2 ZINC001198790709 982830557 /nfs/dbraw/zinc/83/05/57/982830557.db2.gz MNQBDTQEUDVRLR-VXGBXAGGSA-N 1 2 236.319 1.196 20 0 BDADLO C[N@@H+](Cc1cnn[nH]1)C[C@]12CCC[C@H]1OCC2 ZINC001198790709 982830558 /nfs/dbraw/zinc/83/05/58/982830558.db2.gz MNQBDTQEUDVRLR-VXGBXAGGSA-N 1 2 236.319 1.196 20 0 BDADLO C[N@H+](Cc1c[nH]nn1)C[C@]12CCC[C@H]1OCC2 ZINC001198790709 982830563 /nfs/dbraw/zinc/83/05/63/982830563.db2.gz MNQBDTQEUDVRLR-VXGBXAGGSA-N 1 2 236.319 1.196 20 0 BDADLO C[N@@H+](Cc1c[nH]nn1)C[C@]12CCC[C@H]1OCC2 ZINC001198790709 982830564 /nfs/dbraw/zinc/83/05/64/982830564.db2.gz MNQBDTQEUDVRLR-VXGBXAGGSA-N 1 2 236.319 1.196 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)C[C@]12CCC[C@H]1OCC2 ZINC001198790709 982830567 /nfs/dbraw/zinc/83/05/67/982830567.db2.gz MNQBDTQEUDVRLR-VXGBXAGGSA-N 1 2 236.319 1.196 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)C[C@]12CCC[C@H]1OCC2 ZINC001198790709 982830570 /nfs/dbraw/zinc/83/05/70/982830570.db2.gz MNQBDTQEUDVRLR-VXGBXAGGSA-N 1 2 236.319 1.196 20 0 BDADLO CN(C)c1ccc(Nc2cccnn2)c[nH+]1 ZINC000518948979 982841235 /nfs/dbraw/zinc/84/12/35/982841235.db2.gz VFLNLNBYVYWSDR-UHFFFAOYSA-N 1 2 215.260 1.103 20 0 BDADLO CC[C@@H](F)C(=O)NCCCCn1cc[nH+]c1 ZINC001353575526 982897811 /nfs/dbraw/zinc/89/78/11/982897811.db2.gz QYDTWOGBIZCORY-SNVBAGLBSA-N 1 2 227.283 1.528 20 0 BDADLO CNC(=S)NCc1c[nH+]cn1C(C)C ZINC001200616929 983092577 /nfs/dbraw/zinc/09/25/77/983092577.db2.gz AFKDDAMVOAOFSZ-UHFFFAOYSA-N 1 2 212.322 1.058 20 0 BDADLO Cc1cc(=O)[nH]c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC001354070090 983136090 /nfs/dbraw/zinc/13/60/90/983136090.db2.gz JXBWKILUFSVZLO-VIFPVBQESA-N 1 2 233.275 1.188 20 0 BDADLO CCCN(CC(=O)N(C)C)c1ccc(CC)c[nH+]1 ZINC001354079189 983143358 /nfs/dbraw/zinc/14/33/58/983143358.db2.gz LKNYGDLBQFYJAI-UHFFFAOYSA-N 1 2 249.358 1.949 20 0 BDADLO Cc1nc2ccc(Nc3ccc(N)[nH+]c3)cn2n1 ZINC001201279540 983157352 /nfs/dbraw/zinc/15/73/52/983157352.db2.gz XAYLRQPVKLQECO-UHFFFAOYSA-N 1 2 240.270 1.759 20 0 BDADLO Nc1ccc2c(c1)c(=O)[nH]n2-c1ccc(N)[nH+]c1 ZINC001201286929 983163968 /nfs/dbraw/zinc/16/39/68/983163968.db2.gz IJQIQCHBAZZCSG-UHFFFAOYSA-N 1 2 241.254 1.291 20 0 BDADLO NC(=O)c1ccccc1Nc1ccc(N)[nH+]c1 ZINC001201287209 983166764 /nfs/dbraw/zinc/16/67/64/983166764.db2.gz ZFYUOSAZZNFNQU-UHFFFAOYSA-N 1 2 228.255 1.506 20 0 BDADLO COC(=O)c1cc(Nc2ccc(N)[nH+]c2)ccn1 ZINC001201272484 983171127 /nfs/dbraw/zinc/17/11/27/983171127.db2.gz OWYFIRGIBHIUTB-UHFFFAOYSA-N 1 2 244.254 1.011 20 0 BDADLO COc1cc(Nc2ccc(N)[nH+]c2)ccn1 ZINC001201272127 983171729 /nfs/dbraw/zinc/17/17/29/983171729.db2.gz JKBVTCRQMCOYLN-UHFFFAOYSA-N 1 2 216.244 1.811 20 0 BDADLO Nc1ccc(Nc2ccc(F)nc2)c[nH+]1 ZINC001201272483 983171751 /nfs/dbraw/zinc/17/17/51/983171751.db2.gz OVNGWZIXFUHQPM-UHFFFAOYSA-N 1 2 204.208 1.942 20 0 BDADLO Nc1ccc(Nc2ncccc2N)c[nH+]1 ZINC001201272560 983171782 /nfs/dbraw/zinc/17/17/82/983171782.db2.gz PQSBWZPRQFCAMI-UHFFFAOYSA-N 1 2 201.233 1.385 20 0 BDADLO Nc1ccc(Nc2cc(=O)[nH]c(=S)[nH]2)c[nH+]1 ZINC001201275364 983176801 /nfs/dbraw/zinc/17/68/01/983176801.db2.gz CYWOVJOKYIQVKP-UHFFFAOYSA-N 1 2 235.272 1.192 20 0 BDADLO Nc1ccc(Nc2cc3n(n2)CCCO3)c[nH+]1 ZINC001201278654 983178498 /nfs/dbraw/zinc/17/84/98/983178498.db2.gz FIZIDHDBOOSTKU-UHFFFAOYSA-N 1 2 231.259 1.386 20 0 BDADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(CCF)n1 ZINC001201278605 983178582 /nfs/dbraw/zinc/17/85/82/983178582.db2.gz DINXUTFXRFHTCX-UHFFFAOYSA-N 1 2 235.266 1.882 20 0 BDADLO CNc1cc(C2=CCN(C(C)=O)CC2)cc[nH+]1 ZINC001241969908 983179304 /nfs/dbraw/zinc/17/93/04/983179304.db2.gz PAWCLTLBRYAPDV-UHFFFAOYSA-N 1 2 231.299 1.759 20 0 BDADLO Nc1ccc(N2CCc3cccc(N)c32)c[nH+]1 ZINC001201299578 983180918 /nfs/dbraw/zinc/18/09/18/983180918.db2.gz GLVVGAQFKAFODI-UHFFFAOYSA-N 1 2 226.283 1.940 20 0 BDADLO Cc1cc(F)cc(N2CC[C@](O)(C3CC3)C2)[nH+]1 ZINC001354178103 983186228 /nfs/dbraw/zinc/18/62/28/983186228.db2.gz OHSSJEXZDRGWLO-CYBMUJFWSA-N 1 2 236.290 1.880 20 0 BDADLO CCc1ccc(N(C)[C@@H](CC)CO)[nH+]c1 ZINC001354205206 983192674 /nfs/dbraw/zinc/19/26/74/983192674.db2.gz XNBQMPKFZIKQFA-NSHDSACASA-N 1 2 208.305 1.851 20 0 BDADLO OC1(C(F)(F)F)C[NH+](C[C@H]2CC=CCC2)C1 ZINC001201406320 983204885 /nfs/dbraw/zinc/20/48/85/983204885.db2.gz BVRUTOASOOUTOF-VIFPVBQESA-N 1 2 235.249 1.952 20 0 BDADLO O=S1(=O)Cc2cc(-c3[nH]cc[nH+]3)ccc2N1 ZINC001242016264 983213821 /nfs/dbraw/zinc/21/38/21/983213821.db2.gz YDOKWSNTDVMQGN-UHFFFAOYSA-N 1 2 235.268 1.332 20 0 BDADLO O=C1COc2ccc(-c3[nH]cc[nH+]3)cc2N1 ZINC001242016291 983215801 /nfs/dbraw/zinc/21/58/01/983215801.db2.gz ZQIAAKJZQJEROV-UHFFFAOYSA-N 1 2 215.212 1.408 20 0 BDADLO CC(C)[NH2+]c1ccc(Nc2c(N)c(=O)c2=O)cc1 ZINC001201488763 983258911 /nfs/dbraw/zinc/25/89/11/983258911.db2.gz HPDZAEJZCCBLMB-UHFFFAOYSA-N 1 2 245.282 1.429 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncncc1F ZINC001242070594 983304196 /nfs/dbraw/zinc/30/41/96/983304196.db2.gz DRNPXWOYPQHKOD-UHFFFAOYSA-N 1 2 204.208 1.568 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1cnc2ncccc2n1 ZINC001242070712 983306006 /nfs/dbraw/zinc/30/60/06/983306006.db2.gz KIUJSUJEAIRARV-UHFFFAOYSA-N 1 2 237.266 1.977 20 0 BDADLO COc1ncnc(-c2c[nH+]c(N)cc2C)c1OC ZINC001242073062 983309603 /nfs/dbraw/zinc/30/96/03/983309603.db2.gz VPDYPRYAUGZKEO-UHFFFAOYSA-N 1 2 246.270 1.446 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nccc(C(N)=O)c1F ZINC001242078166 983325180 /nfs/dbraw/zinc/32/51/80/983325180.db2.gz SXSVQMQVBGZNLE-UHFFFAOYSA-N 1 2 246.245 1.272 20 0 BDADLO CC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201573525 983339242 /nfs/dbraw/zinc/33/92/42/983339242.db2.gz VLDPKRUJTZRAHG-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO CC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201573525 983339248 /nfs/dbraw/zinc/33/92/48/983339248.db2.gz VLDPKRUJTZRAHG-RQJHMYQMSA-N 1 2 215.190 1.344 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)[C@H](C)[C@H](C)O1 ZINC001355281090 983458272 /nfs/dbraw/zinc/45/82/72/983458272.db2.gz VJFLSGXMXMTOAC-MXWKQRLJSA-N 1 2 246.314 1.731 20 0 BDADLO O=C(NC/C=C/Cl)N1CCn2c[nH+]cc2C1 ZINC001355372923 983480706 /nfs/dbraw/zinc/48/07/06/983480706.db2.gz HCYONBRMVAVFKU-OWOJBTEDSA-N 1 2 240.694 1.161 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC001201851098 983486879 /nfs/dbraw/zinc/48/68/79/983486879.db2.gz ROVFIUVPOLPTMQ-SECBINFHSA-N 1 2 248.334 1.810 20 0 BDADLO Cc1cccc(C)c1NC(=O)NC1C[NH+](C)C1 ZINC001202211377 983603223 /nfs/dbraw/zinc/60/32/23/983603223.db2.gz GIAONDFDCVZWDD-UHFFFAOYSA-N 1 2 233.315 1.739 20 0 BDADLO CCn1cncc1C[NH2+]Cc1ncccc1F ZINC001202259287 983607978 /nfs/dbraw/zinc/60/79/78/983607978.db2.gz OXKWHRWTXDZLOS-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO O=S1CC2(C[NH+](CCCC(F)(F)F)C2)C1 ZINC001202377859 983646842 /nfs/dbraw/zinc/64/68/42/983646842.db2.gz OYBCEVRAJYBJAK-UHFFFAOYSA-N 1 2 241.278 1.393 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CN1CCC1=O ZINC000857234095 983798605 /nfs/dbraw/zinc/79/86/05/983798605.db2.gz GKINMNNTCUWIHN-LBPRGKRZSA-N 1 2 248.330 1.055 20 0 BDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CN1CCC1=O ZINC000857234095 983798610 /nfs/dbraw/zinc/79/86/10/983798610.db2.gz GKINMNNTCUWIHN-LBPRGKRZSA-N 1 2 248.330 1.055 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001252803092 983896698 /nfs/dbraw/zinc/89/66/98/983896698.db2.gz NGRFCUPPWODQKU-QWRGUYRKSA-N 1 2 245.363 1.857 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1CCN2C[C@@H](F)C[C@H]2C1 ZINC001560201225 983934590 /nfs/dbraw/zinc/93/45/90/983934590.db2.gz GFAHIMLJCOBECW-XBFCOCLRSA-N 1 2 249.333 1.871 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1CCN2C[C@@H](F)C[C@H]2C1 ZINC001560201225 983934597 /nfs/dbraw/zinc/93/45/97/983934597.db2.gz GFAHIMLJCOBECW-XBFCOCLRSA-N 1 2 249.333 1.871 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC001137140372 983966931 /nfs/dbraw/zinc/96/69/31/983966931.db2.gz WWTOQDOPWPXRKJ-KWQFWETISA-N 1 2 249.314 1.340 20 0 BDADLO C/C=C(\C)c1[nH+]ncc2c1OCCN2C ZINC001242756796 984111632 /nfs/dbraw/zinc/11/16/32/984111632.db2.gz WLSUHEARINYSIQ-XBXARRHUSA-N 1 2 205.261 1.728 20 0 BDADLO CCN(C(=O)NC1CCCCC1)C1C[NH+](C)C1 ZINC001202613390 984127887 /nfs/dbraw/zinc/12/78/87/984127887.db2.gz JKGSDRVDHCKCHP-UHFFFAOYSA-N 1 2 239.363 1.665 20 0 BDADLO Cc1nnc(C2CN(c3cccc[nH+]3)C2)o1 ZINC001253392570 984150177 /nfs/dbraw/zinc/15/01/77/984150177.db2.gz NYYFOJORMQBZMO-UHFFFAOYSA-N 1 2 216.244 1.377 20 0 BDADLO CCc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)nc1 ZINC001274346039 984333467 /nfs/dbraw/zinc/33/34/67/984333467.db2.gz OBVIZHPOXGOFMA-UHFFFAOYSA-N 1 2 245.326 1.174 20 0 BDADLO CCc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)nc1 ZINC001274346039 984333469 /nfs/dbraw/zinc/33/34/69/984333469.db2.gz OBVIZHPOXGOFMA-UHFFFAOYSA-N 1 2 245.326 1.174 20 0 BDADLO OCc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001242971121 984336884 /nfs/dbraw/zinc/33/68/84/984336884.db2.gz CVAGUDQGERQAGD-UHFFFAOYSA-N 1 2 225.251 1.889 20 0 BDADLO CCOc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001441824102 984489524 /nfs/dbraw/zinc/48/95/24/984489524.db2.gz XSBGNQXYAJUKEY-UHFFFAOYSA-N 1 2 245.282 1.990 20 0 BDADLO CCOC(=O)c1cc(-c2c[nH+]cn2C)ccn1 ZINC001243068419 984489855 /nfs/dbraw/zinc/48/98/55/984489855.db2.gz WNSKJCURYLPLFG-UHFFFAOYSA-N 1 2 231.255 1.659 20 0 BDADLO CC(=O)Nc1ccc(-c2c[nH+]cn2C)c(C)n1 ZINC001243070719 984495813 /nfs/dbraw/zinc/49/58/13/984495813.db2.gz KLZWYTFSLVKZRY-UHFFFAOYSA-N 1 2 230.271 1.749 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCN3C)C2)cc(C)c1O ZINC001275318863 984535649 /nfs/dbraw/zinc/53/56/49/984535649.db2.gz OATKNILQDGJDMU-UHFFFAOYSA-N 1 2 246.354 1.899 20 0 BDADLO C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1(F)F ZINC001444208974 984548754 /nfs/dbraw/zinc/54/87/54/984548754.db2.gz WSJSVHLXEWIKKB-JTQLQIEISA-N 1 2 241.241 1.312 20 0 BDADLO C=C/C=C/CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001444453148 984554148 /nfs/dbraw/zinc/55/41/48/984554148.db2.gz DLNTWUJHSYJHMH-ZYOFXKKJSA-N 1 2 233.315 1.768 20 0 BDADLO Nc1[nH+]cccc1-c1cccc(CO)c1F ZINC001243147358 984611194 /nfs/dbraw/zinc/61/11/94/984611194.db2.gz IIWRHMCJVTZSOX-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO CCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001257308693 984881815 /nfs/dbraw/zinc/88/18/15/984881815.db2.gz DHNCEUFLCVKXSD-ZJUUUORDSA-N 1 2 231.336 1.467 20 0 BDADLO CCCC[C@@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001257409998 984957195 /nfs/dbraw/zinc/95/71/95/984957195.db2.gz OOUNHIWBKUCSJU-MNOVXSKESA-N 1 2 231.336 1.469 20 0 BDADLO CCCC[C@H](CC)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001257411520 984962280 /nfs/dbraw/zinc/96/22/80/984962280.db2.gz UMVMQZUYVKIBDS-WOPDTQHZSA-N 1 2 245.363 1.857 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001589004998 984984128 /nfs/dbraw/zinc/98/41/28/984984128.db2.gz WYLDQCLURQPIOZ-IJLUTSLNSA-N 1 2 240.347 1.456 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001589004998 984984145 /nfs/dbraw/zinc/98/41/45/984984145.db2.gz WYLDQCLURQPIOZ-IJLUTSLNSA-N 1 2 240.347 1.456 20 0 BDADLO Nc1[nH+]cccc1-c1cccc2c1CNC2=O ZINC001243475450 985027306 /nfs/dbraw/zinc/02/73/06/985027306.db2.gz ZSEYRSAUZNIYBC-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO CNC(=O)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001243475383 985029902 /nfs/dbraw/zinc/02/99/02/985029902.db2.gz GGEHPIJUOBRTSM-UHFFFAOYSA-N 1 2 228.255 1.085 20 0 BDADLO C[C@@H](C(=O)Nc1ccns1)n1cc[nH+]c1 ZINC001454379306 985031490 /nfs/dbraw/zinc/03/14/90/985031490.db2.gz VVGWUVDBHTYIPE-ZETCQYMHSA-N 1 2 222.273 1.539 20 0 BDADLO COCCOc1cncc(-c2ccc[nH+]c2N)c1 ZINC001243476994 985040571 /nfs/dbraw/zinc/04/05/71/985040571.db2.gz HQRHEXIOTLJRBS-UHFFFAOYSA-N 1 2 245.282 1.751 20 0 BDADLO CCCC(=O)NCCCN(C)c1cccc[nH+]1 ZINC001455156061 985059704 /nfs/dbraw/zinc/05/97/04/985059704.db2.gz YQNNTUNDARXBOZ-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO C[C@H](O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000686081464 985066842 /nfs/dbraw/zinc/06/68/42/985066842.db2.gz UUDGYPWGIHTQJK-QWRGUYRKSA-N 1 2 246.314 1.832 20 0 BDADLO CCC[C@H](C)CC[C@@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257464983 985077815 /nfs/dbraw/zinc/07/78/15/985077815.db2.gz XTPMJEFASAJEIS-QJPTWQEYSA-N 1 2 245.363 1.715 20 0 BDADLO CC/C(C)=C\C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456144403 985113351 /nfs/dbraw/zinc/11/33/51/985113351.db2.gz NFLMYQXOXVNGPV-TWGQIWQCSA-N 1 2 221.304 1.945 20 0 BDADLO CCC(C)=CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456144403 985113365 /nfs/dbraw/zinc/11/33/65/985113365.db2.gz NFLMYQXOXVNGPV-TWGQIWQCSA-N 1 2 221.304 1.945 20 0 BDADLO C[C@@H]1C[C@H](C(=O)NCc2ccc(N)[nH+]c2)[C@H](C)O1 ZINC000686427160 985116460 /nfs/dbraw/zinc/11/64/60/985116460.db2.gz OLIKIAWEBOGWMS-YWVKMMECSA-N 1 2 249.314 1.094 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2CC2(F)F)c[nH+]1 ZINC001456144620 985116844 /nfs/dbraw/zinc/11/68/44/985116844.db2.gz PELMNDWLJLAINS-SSDOTTSWSA-N 1 2 229.230 1.244 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2CC2(F)F)[nH+]1 ZINC001456144620 985116860 /nfs/dbraw/zinc/11/68/60/985116860.db2.gz PELMNDWLJLAINS-SSDOTTSWSA-N 1 2 229.230 1.244 20 0 BDADLO Cc1oncc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001456359120 985139459 /nfs/dbraw/zinc/13/94/59/985139459.db2.gz ZEVLODPUPVAFIG-QMMMGPOBSA-N 1 2 234.259 1.057 20 0 BDADLO O=C1CCC[N@H+]([C@H]2CCCSC2)C[C@H]1F ZINC001257673590 985247747 /nfs/dbraw/zinc/24/77/47/985247747.db2.gz ZLETVKOAMNMXRX-VHSXEESVSA-N 1 2 231.336 1.885 20 0 BDADLO O=C1CCC[N@@H+]([C@H]2CCCSC2)C[C@H]1F ZINC001257673590 985247764 /nfs/dbraw/zinc/24/77/64/985247764.db2.gz ZLETVKOAMNMXRX-VHSXEESVSA-N 1 2 231.336 1.885 20 0 BDADLO CNc1cc(N2C[C@@H](OC)CC[C@H]2C)nc[nH+]1 ZINC000687215814 985266421 /nfs/dbraw/zinc/26/64/21/985266421.db2.gz DSPCOAUXJURQTL-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2C[C@@H](OC)CC[C@H]2C)[nH+]cn1 ZINC000687215814 985266436 /nfs/dbraw/zinc/26/64/36/985266436.db2.gz DSPCOAUXJURQTL-ZJUUUORDSA-N 1 2 236.319 1.522 20 0 BDADLO CCCCOC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000687326914 985290333 /nfs/dbraw/zinc/29/03/33/985290333.db2.gz WPQUSFXHNLBHQU-UHFFFAOYSA-N 1 2 243.347 1.615 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)o1 ZINC000687773833 985380508 /nfs/dbraw/zinc/38/05/08/985380508.db2.gz YQSRWKTWPKQEGU-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)o1 ZINC000687773833 985380525 /nfs/dbraw/zinc/38/05/25/985380525.db2.gz YQSRWKTWPKQEGU-NXEZZACHSA-N 1 2 239.319 1.538 20 0 BDADLO CCn1cc(/C(C)=C/C=C/[NH3+])ccc1=O ZINC001243838790 985448185 /nfs/dbraw/zinc/44/81/85/985448185.db2.gz ZXQGRYGPLXGASI-DXNUHORPSA-N 1 2 204.273 1.744 20 0 BDADLO COC(=O)c1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243947539 985625075 /nfs/dbraw/zinc/62/50/75/985625075.db2.gz LAKQXHOQMVIKAT-UHFFFAOYSA-N 1 2 218.256 1.593 20 0 BDADLO NC(=S)c1cccnc1C1=C[NH2+]CCC1 ZINC001243949487 985639191 /nfs/dbraw/zinc/63/91/91/985639191.db2.gz NKTGJGDHWKQWBR-UHFFFAOYSA-N 1 2 219.313 1.440 20 0 BDADLO c1nnc(-c2ccnc(C3=C[NH2+]CCC3)c2)o1 ZINC001243949649 985642749 /nfs/dbraw/zinc/64/27/49/985642749.db2.gz XBXCUWYLXOSQJH-UHFFFAOYSA-N 1 2 228.255 1.856 20 0 BDADLO CCOc1cnc(C2=C[NH2+]CCC2)cn1 ZINC001243952671 985659667 /nfs/dbraw/zinc/65/96/67/985659667.db2.gz QLMMVFMQIKRPQW-UHFFFAOYSA-N 1 2 205.261 1.600 20 0 BDADLO Nc1ncc2cc(-c3ccc[nH+]c3N)ccc2n1 ZINC001243995192 985730041 /nfs/dbraw/zinc/73/00/41/985730041.db2.gz VHIGMBOMUBZWLS-UHFFFAOYSA-N 1 2 237.266 1.856 20 0 BDADLO CC(C)(CO)n1cc(-c2ccc[nH+]c2N)cn1 ZINC001244103100 985814669 /nfs/dbraw/zinc/81/46/69/985814669.db2.gz OLRXRHKAWHKZIZ-UHFFFAOYSA-N 1 2 232.287 1.255 20 0 BDADLO Nc1ccc[nH+]c1Nc1ccc(CCO)cc1 ZINC001212925868 985927251 /nfs/dbraw/zinc/92/72/51/985927251.db2.gz XOLDAKIVYGXOML-UHFFFAOYSA-N 1 2 229.283 1.942 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@@H+]1C[C@H](O)C1CC1 ZINC001460939195 985949482 /nfs/dbraw/zinc/94/94/82/985949482.db2.gz SIYXSGFROGUDRR-WPRPVWTQSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@H]1CCC(F)(F)C[N@H+]1C[C@H](O)C1CC1 ZINC001460939195 985949494 /nfs/dbraw/zinc/94/94/94/985949494.db2.gz SIYXSGFROGUDRR-WPRPVWTQSA-N 1 2 219.275 1.877 20 0 BDADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC001460935285 985953072 /nfs/dbraw/zinc/95/30/72/985953072.db2.gz LIQXYVLKXRATEV-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO OC[C@@H]([NH2+]CCF)c1cc(F)ccc1F ZINC001460948748 985961485 /nfs/dbraw/zinc/96/14/85/985961485.db2.gz KRDSRYFTIJMELY-SNVBAGLBSA-N 1 2 219.206 1.557 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH+]1CC2(CCO2)C1 ZINC001258499857 985962188 /nfs/dbraw/zinc/96/21/88/985962188.db2.gz UMGNYWUMQBJVEA-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CCn1ccc(C[NH2+]Cc2c(C)nn(C)c2C)n1 ZINC001461145799 986016597 /nfs/dbraw/zinc/01/65/97/986016597.db2.gz ZFUPRMZGHZRXQS-UHFFFAOYSA-N 1 2 247.346 1.543 20 0 BDADLO Cc1ncsc1CN1CC2(CC[N@H+]2C)C1 ZINC001276323319 986021370 /nfs/dbraw/zinc/02/13/70/986021370.db2.gz WZZWZFFSSHVELT-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1ncsc1CN1CC2(CC[N@@H+]2C)C1 ZINC001276323319 986021388 /nfs/dbraw/zinc/02/13/88/986021388.db2.gz WZZWZFFSSHVELT-UHFFFAOYSA-N 1 2 223.345 1.341 20 0 BDADLO Cc1cn[nH]c1C[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001579547601 986080007 /nfs/dbraw/zinc/08/00/07/986080007.db2.gz PECHCNZKBGCDKL-CHWSQXEVSA-N 1 2 234.347 1.340 20 0 BDADLO CCOC(=O)[C@H](CO)[NH2+][C@@H](CC)C[C@H](C)CC ZINC001258778767 986167211 /nfs/dbraw/zinc/16/72/11/986167211.db2.gz KLSONHNHRPERPS-WOPDTQHZSA-N 1 2 245.363 1.715 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1cnc(C)cn1 ZINC001037988382 986240375 /nfs/dbraw/zinc/24/03/75/986240375.db2.gz VJHIYUUUCAKDDJ-PWSUYJOCSA-N 1 2 248.330 1.056 20 0 BDADLO CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1cnc(C)cn1 ZINC001037988382 986240389 /nfs/dbraw/zinc/24/03/89/986240389.db2.gz VJHIYUUUCAKDDJ-PWSUYJOCSA-N 1 2 248.330 1.056 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC001258811010 986271287 /nfs/dbraw/zinc/27/12/87/986271287.db2.gz UDPQQXIJDJASLT-WISYIIOYSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N)c2nccn21 ZINC001462241299 986321038 /nfs/dbraw/zinc/32/10/38/986321038.db2.gz VXMUSUUSFFOMHI-GXSJLCMTSA-N 1 2 243.314 1.656 20 0 BDADLO OC/C=C/C[NH2+]Cc1c(F)nccc1Cl ZINC001462419106 986381618 /nfs/dbraw/zinc/38/16/18/986381618.db2.gz QPVKMYLYRIZYKH-OWOJBTEDSA-N 1 2 230.670 1.512 20 0 BDADLO Brc1c[nH]nc1C[NH2+][C@@H]1C=CCC1 ZINC001462418495 986382486 /nfs/dbraw/zinc/38/24/86/986382486.db2.gz SLJXZPXSMLPLPM-SSDOTTSWSA-N 1 2 242.120 1.980 20 0 BDADLO CCCNC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001244846546 986394615 /nfs/dbraw/zinc/39/46/15/986394615.db2.gz YNKAOQBYTKDZTQ-UHFFFAOYSA-N 1 2 235.356 1.689 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC001462656537 986482351 /nfs/dbraw/zinc/48/23/51/986482351.db2.gz UVHKGMSTWGWVID-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC001462656537 986482376 /nfs/dbraw/zinc/48/23/76/986482376.db2.gz UVHKGMSTWGWVID-UHFFFAOYSA-N 1 2 232.287 1.153 20 0 BDADLO CC(=O)c1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001463619872 986566697 /nfs/dbraw/zinc/56/66/97/986566697.db2.gz ARDRUVLZJNCTLH-UHFFFAOYSA-N 1 2 243.266 1.794 20 0 BDADLO CC(C)=CC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097658533 986632736 /nfs/dbraw/zinc/63/27/36/986632736.db2.gz FDHPWTXZMJWCKQ-JTQLQIEISA-N 1 2 248.330 1.668 20 0 BDADLO Cc1nc(N[C@H](C)CNC(=O)C2CCC2)cc[nH+]1 ZINC001097668057 986632914 /nfs/dbraw/zinc/63/29/14/986632914.db2.gz LJAVMZFYUKPIDD-SECBINFHSA-N 1 2 248.330 1.502 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1F ZINC001137276987 986713048 /nfs/dbraw/zinc/71/30/48/986713048.db2.gz GUEDAHTWHKIGRT-GXTWGEPZSA-N 1 2 246.285 1.749 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1F ZINC001137276987 986713059 /nfs/dbraw/zinc/71/30/59/986713059.db2.gz GUEDAHTWHKIGRT-GXTWGEPZSA-N 1 2 246.285 1.749 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001465527875 986728866 /nfs/dbraw/zinc/72/88/66/986728866.db2.gz FAHMUWOFORTUMG-KOLCDFICSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1[nH+]ccc(C2=CCS(=O)(=O)CC2)c1C ZINC001245210379 986728951 /nfs/dbraw/zinc/72/89/51/986728951.db2.gz AMTFQEMNRNHDEY-UHFFFAOYSA-N 1 2 237.324 1.900 20 0 BDADLO Cc1cc(C2=CCS(=O)(=O)CC2)cc(C)[nH+]1 ZINC001245208889 986730727 /nfs/dbraw/zinc/73/07/27/986730727.db2.gz OKXJMWJBKPCMTA-UHFFFAOYSA-N 1 2 237.324 1.900 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2[nH]c(C)cc2C)CCO1 ZINC001137331222 986794324 /nfs/dbraw/zinc/79/43/24/986794324.db2.gz VSJIOGQZSUSDEB-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2[nH]c(C)cc2C)CCO1 ZINC001137331222 986794336 /nfs/dbraw/zinc/79/43/36/986794336.db2.gz VSJIOGQZSUSDEB-LBPRGKRZSA-N 1 2 238.331 1.479 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cc[nH]n2)cc1 ZINC001245311830 986798987 /nfs/dbraw/zinc/79/89/87/986798987.db2.gz RKGPDNNOMLBRFA-NSHDSACASA-N 1 2 231.255 1.250 20 0 BDADLO C[C@@H](F)CCNC(=O)CCc1[nH+]ccn1C ZINC001263834127 986842679 /nfs/dbraw/zinc/84/26/79/986842679.db2.gz AAHTWZAEQGTYJK-SECBINFHSA-N 1 2 227.283 1.217 20 0 BDADLO C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC001467290902 986843245 /nfs/dbraw/zinc/84/32/45/986843245.db2.gz LNMSVUGUMBAUFH-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO CC[C@H]1[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001467324885 986846640 /nfs/dbraw/zinc/84/66/40/986846640.db2.gz CQXIYUGUDUTCLS-SKDRFNHKSA-N 1 2 235.331 1.908 20 0 BDADLO [NH3+][C@H]1C[C@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC001580430757 986848600 /nfs/dbraw/zinc/84/86/00/986848600.db2.gz YKNQPPARVNJNTF-LJGSYFOKSA-N 1 2 240.690 1.265 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2ccncn2)ccn1 ZINC001137420271 986888442 /nfs/dbraw/zinc/88/84/42/986888442.db2.gz WLGAOYOLCJHAMY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2ccncn2)ccn1 ZINC001137420271 986888447 /nfs/dbraw/zinc/88/84/47/986888447.db2.gz WLGAOYOLCJHAMY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CNC(=O)c1ccnc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245535324 986908596 /nfs/dbraw/zinc/90/85/96/986908596.db2.gz IJNLQNVOUWZJAD-UHFFFAOYSA-N 1 2 242.282 1.394 20 0 BDADLO COC(=O)c1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245534989 986910923 /nfs/dbraw/zinc/91/09/23/986910923.db2.gz DHPUGNPQLNTDLG-UHFFFAOYSA-N 1 2 244.254 1.216 20 0 BDADLO COc1nccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245537059 986912606 /nfs/dbraw/zinc/91/26/06/986912606.db2.gz WZRSCNVTYDUGGZ-UHFFFAOYSA-N 1 2 216.244 1.438 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)nc1F ZINC001137470590 986918386 /nfs/dbraw/zinc/91/83/86/986918386.db2.gz DUTQJAFDRVLPJW-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO Cc1cc(-c2ccnc(F)n2)c[nH+]c1N ZINC001245537849 986918472 /nfs/dbraw/zinc/91/84/72/986918472.db2.gz JPEMVLMRBLOAHW-UHFFFAOYSA-N 1 2 204.208 1.568 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)nc1F ZINC001137470590 986918398 /nfs/dbraw/zinc/91/83/98/986918398.db2.gz DUTQJAFDRVLPJW-APPZFPTMSA-N 1 2 244.697 1.829 20 0 BDADLO COc1cc(OC)c(/C(C)=C/C=C/[NH3+])cn1 ZINC001245611619 986994742 /nfs/dbraw/zinc/99/47/42/986994742.db2.gz IXTYJQUQQOYCOD-REZHQCRGSA-N 1 2 220.272 1.975 20 0 BDADLO COC[C@H](C)[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001255576420 987024498 /nfs/dbraw/zinc/02/44/98/987024498.db2.gz YFYYFNSPLJPLNU-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO COC[C@H](C)[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001255576420 987024518 /nfs/dbraw/zinc/02/45/18/987024518.db2.gz YFYYFNSPLJPLNU-GXSJLCMTSA-N 1 2 239.319 1.940 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccncc1 ZINC001255639795 987037852 /nfs/dbraw/zinc/03/78/52/987037852.db2.gz ABFBHZYTVRSCBC-ZJUUUORDSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCO[C@H](CO)C1 ZINC001255646328 987044622 /nfs/dbraw/zinc/04/46/22/987044622.db2.gz NHSQGDOFNDVDBI-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CCO[C@H](CO)C1 ZINC001255646328 987044636 /nfs/dbraw/zinc/04/46/36/987044636.db2.gz NHSQGDOFNDVDBI-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CCn1nc(C)cc1NC(=O)[C@@H]1CC[N@@H+]1CC ZINC001470780448 987065575 /nfs/dbraw/zinc/06/55/75/987065575.db2.gz UKBMNSIIZKCXTD-JTQLQIEISA-N 1 2 236.319 1.244 20 0 BDADLO CCn1nc(C)cc1NC(=O)[C@@H]1CC[N@H+]1CC ZINC001470780448 987065582 /nfs/dbraw/zinc/06/55/82/987065582.db2.gz UKBMNSIIZKCXTD-JTQLQIEISA-N 1 2 236.319 1.244 20 0 BDADLO CC(C)N1N=C(C2CC[NH2+]CC2)CC1=O ZINC001245917105 987150840 /nfs/dbraw/zinc/15/08/40/987150840.db2.gz FJOGMJUZLYUFCR-UHFFFAOYSA-N 1 2 209.293 1.637 20 0 BDADLO CCCN1N=C(C2CC[NH2+]CC2)CC1=O ZINC001245918190 987152149 /nfs/dbraw/zinc/15/21/49/987152149.db2.gz REAFBULCJBNABP-UHFFFAOYSA-N 1 2 209.293 1.466 20 0 BDADLO CCc1[nH]c(CNC(=O)C2=C(C)OCCC2)c[nH+]1 ZINC001472019258 987161545 /nfs/dbraw/zinc/16/15/45/987161545.db2.gz WONPGXYDULOHFM-UHFFFAOYSA-N 1 2 249.314 1.673 20 0 BDADLO CCc1[nH]cc(CNC(=O)C2=C(C)OCCC2)[nH+]1 ZINC001472019258 987161556 /nfs/dbraw/zinc/16/15/56/987161556.db2.gz WONPGXYDULOHFM-UHFFFAOYSA-N 1 2 249.314 1.673 20 0 BDADLO CCO[C@H](CC)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001472018654 987162905 /nfs/dbraw/zinc/16/29/05/987162905.db2.gz JFAXYMRAFGBRPW-SNVBAGLBSA-N 1 2 239.319 1.403 20 0 BDADLO CCO[C@H](CC)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001472018654 987162929 /nfs/dbraw/zinc/16/29/29/987162929.db2.gz JFAXYMRAFGBRPW-SNVBAGLBSA-N 1 2 239.319 1.403 20 0 BDADLO [NH3+]Cc1cc(=O)n([C@H]2CCc3ccccc3C2)[nH]1 ZINC001245924235 987169284 /nfs/dbraw/zinc/16/92/84/987169284.db2.gz BNJQTVUJNOBBLN-ZDUSSCGKSA-N 1 2 243.310 1.777 20 0 BDADLO COc1ccc(Cn2[nH]c(C[NH3+])cc2=O)cc1 ZINC001245925699 987171640 /nfs/dbraw/zinc/17/16/40/987171640.db2.gz ZYVWNKRITRMKQQ-UHFFFAOYSA-N 1 2 233.271 1.104 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@H]2CCCO2)[nH+]1 ZINC001472093442 987173343 /nfs/dbraw/zinc/17/33/43/987173343.db2.gz YKRXFEZFCWAMNC-SNVBAGLBSA-N 1 2 237.303 1.328 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@H]2CCCO2)c[nH+]1 ZINC001472093442 987173372 /nfs/dbraw/zinc/17/33/72/987173372.db2.gz YKRXFEZFCWAMNC-SNVBAGLBSA-N 1 2 237.303 1.328 20 0 BDADLO Cc1nc[nH]c1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472094293 987177593 /nfs/dbraw/zinc/17/75/93/987177593.db2.gz RKRIHCNYDVLALU-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO Cc1nc[nH]c1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472094293 987177602 /nfs/dbraw/zinc/17/76/02/987177602.db2.gz RKRIHCNYDVLALU-UHFFFAOYSA-N 1 2 247.302 1.495 20 0 BDADLO C[C@H]1CCC[C@@H]1n1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245927375 987184109 /nfs/dbraw/zinc/18/41/09/987184109.db2.gz PLSNREJDUQOMDH-KWQFWETISA-N 1 2 221.304 1.637 20 0 BDADLO CCC(CC)Cn1[nH]c(C2C[NH2+]C2)cc1=O ZINC001245927770 987186898 /nfs/dbraw/zinc/18/68/98/987186898.db2.gz UMFBLAYCAVBPDT-UHFFFAOYSA-N 1 2 223.320 1.712 20 0 BDADLO CNc1cc(NC2C[C@@H](C)O[C@H](C)C2)[nH+]cn1 ZINC000694756457 987326863 /nfs/dbraw/zinc/32/68/63/987326863.db2.gz XGJZGWQSNSOVAN-RKDXNWHRSA-N 1 2 236.319 1.886 20 0 BDADLO Cc1nc(N[C@@H]2CCCC3(CC3)C2)nc(N)[nH+]1 ZINC000696176505 987341177 /nfs/dbraw/zinc/34/11/77/987341177.db2.gz JKWJBABSMBRFEX-SECBINFHSA-N 1 2 233.319 1.897 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCCC3(CC3)C2)[nH+]1 ZINC000696176505 987341184 /nfs/dbraw/zinc/34/11/84/987341184.db2.gz JKWJBABSMBRFEX-SECBINFHSA-N 1 2 233.319 1.897 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(C)(F)F)[C@H]1OC ZINC000697553746 987354100 /nfs/dbraw/zinc/35/41/00/987354100.db2.gz JXZCWAZGWJSHJG-DJLDLDEBSA-N 1 2 223.263 1.424 20 0 BDADLO Fc1c[nH+]ccc1NCCOC1CCC1 ZINC000699667991 987376885 /nfs/dbraw/zinc/37/68/85/987376885.db2.gz BVIISPFACVUDJL-UHFFFAOYSA-N 1 2 210.252 1.624 20 0 BDADLO Cc1cc(C[N@H+](CC(N)=O)C(C)(C)C)sn1 ZINC001473236737 987378258 /nfs/dbraw/zinc/37/82/58/987378258.db2.gz BHDYHQJDHVMGQR-UHFFFAOYSA-N 1 2 241.360 1.537 20 0 BDADLO Cc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)sn1 ZINC001473236737 987378265 /nfs/dbraw/zinc/37/82/65/987378265.db2.gz BHDYHQJDHVMGQR-UHFFFAOYSA-N 1 2 241.360 1.537 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001473336649 987402265 /nfs/dbraw/zinc/40/22/65/987402265.db2.gz OFWLUOOJSYGMTJ-UFBFGSQYSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c(F)cncc2F)C[C@@H]1O ZINC001473336649 987402275 /nfs/dbraw/zinc/40/22/75/987402275.db2.gz OFWLUOOJSYGMTJ-UFBFGSQYSA-N 1 2 242.269 1.563 20 0 BDADLO C[C@H]([NH2+]CC1=NOCC1)c1c(F)cncc1F ZINC001473453212 987437613 /nfs/dbraw/zinc/43/76/13/987437613.db2.gz CQLOZDJFSIWOKG-ZETCQYMHSA-N 1 2 241.241 1.787 20 0 BDADLO CCC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(C)=O ZINC001116171382 987463978 /nfs/dbraw/zinc/46/39/78/987463978.db2.gz SQINKMLHFHLOFC-RYUDHWBXSA-N 1 2 241.331 1.772 20 0 BDADLO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(C)=O ZINC001116171382 987463991 /nfs/dbraw/zinc/46/39/91/987463991.db2.gz SQINKMLHFHLOFC-RYUDHWBXSA-N 1 2 241.331 1.772 20 0 BDADLO Cc1cc(C)[nH+]c(CN2NC(=O)C[C@H]2C)c1 ZINC001473533841 987470356 /nfs/dbraw/zinc/47/03/56/987470356.db2.gz OEPQCLGFTIWCMZ-SNVBAGLBSA-N 1 2 219.288 1.324 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC001473554905 987484085 /nfs/dbraw/zinc/48/40/85/987484085.db2.gz QKCXOSWUBHRURV-DJLDLDEBSA-N 1 2 227.333 1.302 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC001473554905 987484095 /nfs/dbraw/zinc/48/40/95/987484095.db2.gz QKCXOSWUBHRURV-DJLDLDEBSA-N 1 2 227.333 1.302 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCn3nccc3C2)O1 ZINC001473671191 987525742 /nfs/dbraw/zinc/52/57/42/987525742.db2.gz UFKXXRKESHQWLQ-LBPRGKRZSA-N 1 2 235.331 1.656 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCn3nccc3C2)O1 ZINC001473671191 987525766 /nfs/dbraw/zinc/52/57/66/987525766.db2.gz UFKXXRKESHQWLQ-LBPRGKRZSA-N 1 2 235.331 1.656 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](C(F)F)C2)o1 ZINC001116401708 987548962 /nfs/dbraw/zinc/54/89/62/987548962.db2.gz NGIULIGPMQCPSJ-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](C(F)F)C2)o1 ZINC001116401708 987548967 /nfs/dbraw/zinc/54/89/67/987548967.db2.gz NGIULIGPMQCPSJ-SSDOTTSWSA-N 1 2 217.219 1.465 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC[C@H](c3ncccn3)C2)n1 ZINC001473834949 987574963 /nfs/dbraw/zinc/57/49/63/987574963.db2.gz XBWZJWVPMVZHLB-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO c1c[nH]c(C[N@H+]2CC[C@H](c3ncccn3)C2)n1 ZINC001473834949 987574976 /nfs/dbraw/zinc/57/49/76/987574976.db2.gz XBWZJWVPMVZHLB-JTQLQIEISA-N 1 2 229.287 1.189 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nnc3n2CCC3)[nH]n1 ZINC001116604090 987642568 /nfs/dbraw/zinc/64/25/68/987642568.db2.gz RWBXFIZGWPUGTM-VIFPVBQESA-N 1 2 246.318 1.107 20 0 BDADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccncc2)[nH]1 ZINC001474175115 987653937 /nfs/dbraw/zinc/65/39/37/987653937.db2.gz FAOPCCSKGOEHMB-UHFFFAOYSA-N 1 2 245.330 1.787 20 0 BDADLO Cn1c(C[NH2+]Cc2cnn[nH]2)cc2ccccc21 ZINC001474219532 987663183 /nfs/dbraw/zinc/66/31/83/987663183.db2.gz FDOLEILZRZWQQF-UHFFFAOYSA-N 1 2 241.298 1.586 20 0 BDADLO CCCn1c[nH+]cc1CN(C)Cc1cn[nH]c1 ZINC001474359215 987695380 /nfs/dbraw/zinc/69/53/80/987695380.db2.gz YIQCJKBSBGXDOA-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO C[NH+](C)Cc1nnc(CCC2CCOCC2)o1 ZINC001117229174 987805739 /nfs/dbraw/zinc/80/57/39/987805739.db2.gz QLORTPPTBDXXSI-UHFFFAOYSA-N 1 2 239.319 1.490 20 0 BDADLO COC(=O)C1C[NH+](C/C=C\c2cccc(F)c2)C1 ZINC001474747363 987817130 /nfs/dbraw/zinc/81/71/30/987817130.db2.gz AMSMISLWHLTWMX-HYXAFXHYSA-N 1 2 249.285 1.944 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC(C(F)F)C1 ZINC001117441283 987834835 /nfs/dbraw/zinc/83/48/35/987834835.db2.gz LSJMDGZJWMOWOS-UHFFFAOYSA-N 1 2 229.230 1.066 20 0 BDADLO CC[C@@]1(C)C[N@H+](CN2C(=O)CC2(C)C)CCO1 ZINC001321690628 987967074 /nfs/dbraw/zinc/96/70/74/987967074.db2.gz YGQSJGIELDYGMW-ZDUSSCGKSA-N 1 2 240.347 1.456 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CN2C(=O)CC2(C)C)CCO1 ZINC001321690628 987967083 /nfs/dbraw/zinc/96/70/83/987967083.db2.gz YGQSJGIELDYGMW-ZDUSSCGKSA-N 1 2 240.347 1.456 20 0 BDADLO [NH3+][C@@H]1C[N@H+](C2CCCCCCC2)C[C@H]1O ZINC001246560973 987992107 /nfs/dbraw/zinc/99/21/07/987992107.db2.gz WIKCNGNYDWAUPX-VXGBXAGGSA-N 1 2 212.337 1.103 20 0 BDADLO C[C@H](C(=O)NC1CC=CC1)n1cc[nH+]c1 ZINC001118298871 988203629 /nfs/dbraw/zinc/20/36/29/988203629.db2.gz TZXIXBGSNBQMCW-SECBINFHSA-N 1 2 205.261 1.279 20 0 BDADLO S=C(NCCn1cc[nH+]c1)NCC1CCC1 ZINC001322377944 988234565 /nfs/dbraw/zinc/23/45/65/988234565.db2.gz ZWHVLHRMZWPEKX-UHFFFAOYSA-N 1 2 238.360 1.147 20 0 BDADLO CC(C)[C@H]1C[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001118371343 988268444 /nfs/dbraw/zinc/26/84/44/988268444.db2.gz ALQDZTFGRXIKSI-BDAKNGLRSA-N 1 2 209.293 1.891 20 0 BDADLO C[C@H](C(=O)N(C)CCC1CC1)n1cc[nH+]c1 ZINC001322825578 988384466 /nfs/dbraw/zinc/38/44/66/988384466.db2.gz KPYKNILLNZCCQD-SNVBAGLBSA-N 1 2 221.304 1.703 20 0 BDADLO Cc1oncc1CN1CCn2c[nH+]cc2C1 ZINC001118497353 988389534 /nfs/dbraw/zinc/38/95/34/988389534.db2.gz RIPCSWROEUJBFG-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO COCC[N@H+](Cc1nnc[nH]1)[C@@H]1CC[C@@H](C)C1 ZINC001118496833 988392199 /nfs/dbraw/zinc/39/21/99/988392199.db2.gz JMMAWKHFHLGOOX-GHMZBOCLSA-N 1 2 238.335 1.442 20 0 BDADLO COCC[N@@H+](Cc1nnc[nH]1)[C@@H]1CC[C@@H](C)C1 ZINC001118496833 988392207 /nfs/dbraw/zinc/39/22/07/988392207.db2.gz JMMAWKHFHLGOOX-GHMZBOCLSA-N 1 2 238.335 1.442 20 0 BDADLO C[C@H](C(=O)NC1(C)CCC1)n1cc[nH+]c1 ZINC001322985423 988422653 /nfs/dbraw/zinc/42/26/53/988422653.db2.gz YRQLRFAUIRVXKT-SECBINFHSA-N 1 2 207.277 1.503 20 0 BDADLO C[C@@H](C(=O)NC1(C)CCC1)n1cc[nH+]c1 ZINC001322985424 988423431 /nfs/dbraw/zinc/42/34/31/988423431.db2.gz YRQLRFAUIRVXKT-VIFPVBQESA-N 1 2 207.277 1.503 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1nnc[nH]1)CC2 ZINC001118557184 988438144 /nfs/dbraw/zinc/43/81/44/988438144.db2.gz NYTUTSZKTHRJPK-UHFFFAOYSA-N 1 2 244.298 1.111 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1nnc[nH]1)CC2 ZINC001118557184 988438153 /nfs/dbraw/zinc/43/81/53/988438153.db2.gz NYTUTSZKTHRJPK-UHFFFAOYSA-N 1 2 244.298 1.111 20 0 BDADLO Oc1ccc2c(c1)CC[N@@H+](Cc1nc[nH]n1)CC2 ZINC001118557184 988438156 /nfs/dbraw/zinc/43/81/56/988438156.db2.gz NYTUTSZKTHRJPK-UHFFFAOYSA-N 1 2 244.298 1.111 20 0 BDADLO Oc1ccc2c(c1)CC[N@H+](Cc1nc[nH]n1)CC2 ZINC001118557184 988438161 /nfs/dbraw/zinc/43/81/61/988438161.db2.gz NYTUTSZKTHRJPK-UHFFFAOYSA-N 1 2 244.298 1.111 20 0 BDADLO CC(F)(F)CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001323303007 988493861 /nfs/dbraw/zinc/49/38/61/988493861.db2.gz QRSFMFURYBRHOO-MRVPVSSYSA-N 1 2 238.253 1.192 20 0 BDADLO CC(F)(F)CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001323303007 988493868 /nfs/dbraw/zinc/49/38/68/988493868.db2.gz QRSFMFURYBRHOO-MRVPVSSYSA-N 1 2 238.253 1.192 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001323339584 988502913 /nfs/dbraw/zinc/50/29/13/988502913.db2.gz HXXLGDLLCBJTNJ-GHMZBOCLSA-N 1 2 244.354 1.971 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001323339584 988502922 /nfs/dbraw/zinc/50/29/22/988502922.db2.gz HXXLGDLLCBJTNJ-GHMZBOCLSA-N 1 2 244.354 1.971 20 0 BDADLO CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001323338585 988504773 /nfs/dbraw/zinc/50/47/73/988504773.db2.gz AEKCCKRNZMFWKT-DFVUYQKZSA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001323338585 988504785 /nfs/dbraw/zinc/50/47/85/988504785.db2.gz AEKCCKRNZMFWKT-DFVUYQKZSA-N 1 2 244.766 1.976 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CCF)C1CC1 ZINC001323371021 988511473 /nfs/dbraw/zinc/51/14/73/988511473.db2.gz JDTYQWNQBGTRRP-JQWIXIFHSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CCF)C1CC1 ZINC001323371021 988511492 /nfs/dbraw/zinc/51/14/92/988511492.db2.gz JDTYQWNQBGTRRP-JQWIXIFHSA-N 1 2 242.338 1.583 20 0 BDADLO CC1(CCC(=O)NC[C@H]2CC[N@@H+]2CCF)CC1 ZINC001499092973 988529578 /nfs/dbraw/zinc/52/95/78/988529578.db2.gz LHXJGKJRFUKPQO-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO CC1(CCC(=O)NC[C@H]2CC[N@H+]2CCF)CC1 ZINC001499092973 988529598 /nfs/dbraw/zinc/52/95/98/988529598.db2.gz LHXJGKJRFUKPQO-LLVKDONJSA-N 1 2 242.338 1.727 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001118725926 988529606 /nfs/dbraw/zinc/52/96/06/988529606.db2.gz OGUXRSZHZJLKFI-RNLVFQAGSA-N 1 2 241.241 1.112 20 0 BDADLO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001499191556 988543607 /nfs/dbraw/zinc/54/36/07/988543607.db2.gz GYYKXIPOVZMYSS-KMKOMSMNSA-N 1 2 249.314 1.379 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1c(C)cc[nH]c1=O ZINC001323570100 988554891 /nfs/dbraw/zinc/55/48/91/988554891.db2.gz ONIWOMCLTIADEK-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO C[C@@H](C(=O)N(C)CC1=CCCOC1)n1cc[nH+]c1 ZINC001118772195 988571219 /nfs/dbraw/zinc/57/12/19/988571219.db2.gz FIDCKCIRASRFCA-NSHDSACASA-N 1 2 249.314 1.249 20 0 BDADLO CC[C@H](C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001118782600 988585201 /nfs/dbraw/zinc/58/52/01/988585201.db2.gz UQOYLCMYTRVWQE-QWRGUYRKSA-N 1 2 223.320 1.997 20 0 BDADLO O=C([C@H]1CCCOCC1)N1CCn2c[nH+]cc2C1 ZINC001324013503 988667255 /nfs/dbraw/zinc/66/72/55/988667255.db2.gz AONWTYHFYCBOLW-NSHDSACASA-N 1 2 249.314 1.042 20 0 BDADLO Cc1cc(F)cc2[nH+]c(CCCO)[nH]c21 ZINC001247009592 988834775 /nfs/dbraw/zinc/83/47/75/988834775.db2.gz OSKYGBRYJDQTIR-UHFFFAOYSA-N 1 2 208.236 1.935 20 0 BDADLO CC(C)OC1CN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001119108272 988841014 /nfs/dbraw/zinc/84/10/14/988841014.db2.gz SRWLFZOTCNJVQK-JTQLQIEISA-N 1 2 237.303 1.080 20 0 BDADLO Cc1ccnc(-c2noc(Cc3c[nH]c[nH+]3)n2)c1 ZINC001247137034 988851698 /nfs/dbraw/zinc/85/16/98/988851698.db2.gz CVFGYLKLIIRBAV-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO CC(F)(F)C(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001324570716 988877009 /nfs/dbraw/zinc/87/70/09/988877009.db2.gz GVDNALNENJKSBR-SECBINFHSA-N 1 2 238.253 1.192 20 0 BDADLO CC(F)(F)C(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001324570716 988877012 /nfs/dbraw/zinc/87/70/12/988877012.db2.gz GVDNALNENJKSBR-SECBINFHSA-N 1 2 238.253 1.192 20 0 BDADLO Cc1ccc(F)c(-c2noc([C@H]([NH3+])CO)n2)c1 ZINC001247492079 988901093 /nfs/dbraw/zinc/90/10/93/988901093.db2.gz ZGRIAISFFJQOJO-SECBINFHSA-N 1 2 237.234 1.176 20 0 BDADLO CCn1ncnc1C[NH2+][C@H]1CCCn2nccc21 ZINC001119304589 988920441 /nfs/dbraw/zinc/92/04/41/988920441.db2.gz VZXYMTQJYOWYER-JTQLQIEISA-N 1 2 246.318 1.119 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001119307857 988924051 /nfs/dbraw/zinc/92/40/51/988924051.db2.gz DJABZAZSDBPDFG-AVGNSLFASA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001119307857 988924057 /nfs/dbraw/zinc/92/40/57/988924057.db2.gz DJABZAZSDBPDFG-AVGNSLFASA-N 1 2 249.358 1.810 20 0 BDADLO Cc1coc(C(=O)N2CC[NH+](C3CC3)CC2)c1C ZINC001324732661 988950679 /nfs/dbraw/zinc/95/06/79/988950679.db2.gz CQQDUSDGRDZYGX-UHFFFAOYSA-N 1 2 248.326 1.817 20 0 BDADLO CCOC(=O)C1([NH2+]C[C@H](O)C2CC2)CCCC1 ZINC001324747608 988963826 /nfs/dbraw/zinc/96/38/26/988963826.db2.gz SICPWAGTKAFTOA-NSHDSACASA-N 1 2 241.331 1.223 20 0 BDADLO CCC1(NC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001324769784 988973533 /nfs/dbraw/zinc/97/35/33/988973533.db2.gz CCHDXGAUVQFXJF-VIFPVBQESA-N 1 2 207.277 1.503 20 0 BDADLO CC(=O)Nc1c(C)nn(Cc2c[nH+]cn2C)c1C ZINC001119344934 988986726 /nfs/dbraw/zinc/98/67/26/988986726.db2.gz XFXOBMLCVVMFEH-UHFFFAOYSA-N 1 2 247.302 1.240 20 0 BDADLO CCOC(=O)C1(CNc2cc[nH+]c(CC)n2)CC1 ZINC001119354996 988998625 /nfs/dbraw/zinc/99/86/25/988998625.db2.gz PMJWQDACJQARKD-UHFFFAOYSA-N 1 2 249.314 1.794 20 0 BDADLO CCc1ccc(N2C[C@@H](C(N)=O)CC[C@H]2C)[nH+]c1 ZINC001515361508 989034828 /nfs/dbraw/zinc/03/48/28/989034828.db2.gz GXRNUSRKNREPCT-PWSUYJOCSA-N 1 2 247.342 1.734 20 0 BDADLO CCc1nccc(NCCCn2cc[nH+]c2)n1 ZINC001119395797 989038172 /nfs/dbraw/zinc/03/81/72/989038172.db2.gz FQNNDOLWENGNII-UHFFFAOYSA-N 1 2 231.303 1.738 20 0 BDADLO C[C@@H](c1ccccn1)N(C)c1cc(N)nc[nH+]1 ZINC001515408335 989041032 /nfs/dbraw/zinc/04/10/32/989041032.db2.gz QBBIUDIZRKVALU-VIFPVBQESA-N 1 2 229.287 1.651 20 0 BDADLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cccnc2C)no1 ZINC001247960870 989051834 /nfs/dbraw/zinc/05/18/34/989051834.db2.gz GMMJHXAGQJBERT-SCZZXKLOSA-N 1 2 248.286 1.475 20 0 BDADLO CCc1ccc(N[C@H](C)C[S@](C)=O)[nH+]c1 ZINC001515626852 989082883 /nfs/dbraw/zinc/08/28/83/989082883.db2.gz ZYHVHFCOTILXHV-PSLIRLAXSA-N 1 2 226.345 1.823 20 0 BDADLO CCc1ccc(N2CC[C@](O)(C3CC3)C2)[nH+]c1 ZINC001515702121 989103112 /nfs/dbraw/zinc/10/31/12/989103112.db2.gz NOACFHTYHLRCKY-CQSZACIVSA-N 1 2 232.327 1.995 20 0 BDADLO CCOC(=O)C1([NH2+]CC[C@@H](C)O)CCCC1 ZINC001325181007 989111717 /nfs/dbraw/zinc/11/17/17/989111717.db2.gz IQGMZVUFLOLTDI-SNVBAGLBSA-N 1 2 229.320 1.223 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@H]([S@](C)=O)C2)cc[nH+]1 ZINC001516062941 989137300 /nfs/dbraw/zinc/13/73/00/989137300.db2.gz GEBQVSBEOSSZQQ-LSYCYVAJSA-N 1 2 239.344 1.497 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001325295611 989146229 /nfs/dbraw/zinc/14/62/29/989146229.db2.gz FHMNADOZXCMHME-KKOKHZNYSA-N 1 2 235.331 1.947 20 0 BDADLO CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001325346448 989169303 /nfs/dbraw/zinc/16/93/03/989169303.db2.gz PQAHMZZJLSZWKF-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO OC1C[NH+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248815415 989170408 /nfs/dbraw/zinc/17/04/08/989170408.db2.gz XGGVYXPZXPBXFY-UHFFFAOYSA-N 1 2 220.247 1.484 20 0 BDADLO CCN(CCn1cc[nH+]c1)Cc1nonc1C ZINC001248860179 989204993 /nfs/dbraw/zinc/20/49/93/989204993.db2.gz NMDCMGRPZFFMOR-UHFFFAOYSA-N 1 2 235.291 1.097 20 0 BDADLO COCC[N@H+](C)Cc1nc(C)cc(C)n1 ZINC001248933155 989211134 /nfs/dbraw/zinc/21/11/34/989211134.db2.gz QOICXYIHXIQKQS-UHFFFAOYSA-N 1 2 209.293 1.172 20 0 BDADLO COCC[N@@H+](C)Cc1nc(C)cc(C)n1 ZINC001248933155 989211147 /nfs/dbraw/zinc/21/11/47/989211147.db2.gz QOICXYIHXIQKQS-UHFFFAOYSA-N 1 2 209.293 1.172 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cncc(C)c2)n1C ZINC001325599538 989213099 /nfs/dbraw/zinc/21/30/99/989213099.db2.gz DAXZTILLEPEZOV-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H](C)CSC ZINC001518046925 989270513 /nfs/dbraw/zinc/27/05/13/989270513.db2.gz AWFJTGCAIBQXMB-SECBINFHSA-N 1 2 242.344 1.945 20 0 BDADLO C[NH+](C)Cc1cnc(NC(=O)OC(C)(C)C)[nH]1 ZINC001249421092 989276737 /nfs/dbraw/zinc/27/67/37/989276737.db2.gz QCZVKCFWBJMCIO-UHFFFAOYSA-N 1 2 240.307 1.818 20 0 BDADLO COCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001518385896 989300810 /nfs/dbraw/zinc/30/08/10/989300810.db2.gz YAURLAXXWUUATJ-UHFFFAOYSA-N 1 2 208.261 1.095 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccn(C)n1 ZINC001518384998 989301280 /nfs/dbraw/zinc/30/12/80/989301280.db2.gz SEPGRSQNRWFSCS-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO Cn1ncc(Nc2cc[nH+]cc2C(F)(F)F)n1 ZINC001249585017 989315822 /nfs/dbraw/zinc/31/58/22/989315822.db2.gz TYHOBVOUXCAYAT-UHFFFAOYSA-N 1 2 243.192 1.394 20 0 BDADLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1CC1(F)F ZINC001519059447 989375225 /nfs/dbraw/zinc/37/52/25/989375225.db2.gz BZRCNEIATNOAAF-SECBINFHSA-N 1 2 244.241 1.551 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001519215665 989388134 /nfs/dbraw/zinc/38/81/34/989388134.db2.gz MTYFYIILPPURAU-WDEREUQCSA-N 1 2 237.347 1.904 20 0 BDADLO CC[C@@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001519215663 989390286 /nfs/dbraw/zinc/39/02/86/989390286.db2.gz MTYFYIILPPURAU-MNOVXSKESA-N 1 2 237.347 1.904 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC001119765380 989392132 /nfs/dbraw/zinc/39/21/32/989392132.db2.gz IIJXXQPXFHOZLB-MLRMMBSGSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC001119765380 989392145 /nfs/dbraw/zinc/39/21/45/989392145.db2.gz IIJXXQPXFHOZLB-MLRMMBSGSA-N 1 2 241.331 1.605 20 0 BDADLO CCn1cnc2c1CC[N@H+](CCOCC1CC1)C2 ZINC001119859837 989446042 /nfs/dbraw/zinc/44/60/42/989446042.db2.gz FVAUDQZCYBBNAN-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO CCn1c[nH+]c2c1CCN(CCOCC1CC1)C2 ZINC001119859837 989446037 /nfs/dbraw/zinc/44/60/37/989446037.db2.gz FVAUDQZCYBBNAN-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO CCn1cnc2c1CC[N@@H+](CCOCC1CC1)C2 ZINC001119859837 989446050 /nfs/dbraw/zinc/44/60/50/989446050.db2.gz FVAUDQZCYBBNAN-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO CC(C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001519826207 989464636 /nfs/dbraw/zinc/46/46/36/989464636.db2.gz WWSMMQHIMMMDCT-NSHDSACASA-N 1 2 237.347 1.904 20 0 BDADLO COc1nc(Cl)c(C[N@@H+]2C[C@@H](C)[C@H]2C)n1C ZINC001326344398 989507162 /nfs/dbraw/zinc/50/71/62/989507162.db2.gz RPFVKTDDLURFBQ-HTQZYQBOSA-N 1 2 243.738 1.922 20 0 BDADLO COc1nc(Cl)c(C[N@H+]2C[C@@H](C)[C@H]2C)n1C ZINC001326344398 989507168 /nfs/dbraw/zinc/50/71/68/989507168.db2.gz RPFVKTDDLURFBQ-HTQZYQBOSA-N 1 2 243.738 1.922 20 0 BDADLO CO[C@@H]1CC[C@@H](Nc2cc(N(C)C)nc[nH+]2)C1 ZINC001120037758 989569930 /nfs/dbraw/zinc/56/99/30/989569930.db2.gz KJFDGCBIAVIKSD-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO CO[C@@H]1CC[C@@H](Nc2cc(N(C)C)[nH+]cn2)C1 ZINC001120037758 989569938 /nfs/dbraw/zinc/56/99/38/989569938.db2.gz KJFDGCBIAVIKSD-NXEZZACHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H](CC(=O)NCCCC(F)F)n1cc[nH+]c1 ZINC001120078586 989590111 /nfs/dbraw/zinc/59/01/11/989590111.db2.gz YAGWBVQMBABENY-SECBINFHSA-N 1 2 245.273 1.996 20 0 BDADLO Cc1cc(NC(=O)CCc2[nH+]ccn2C)no1 ZINC001520746511 989598817 /nfs/dbraw/zinc/59/88/17/989598817.db2.gz FFEVNFSLPCAVAF-UHFFFAOYSA-N 1 2 234.259 1.288 20 0 BDADLO CC(C)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001520771194 989602408 /nfs/dbraw/zinc/60/24/08/989602408.db2.gz YCWDDFYDNYNJQY-UHFFFAOYSA-N 1 2 239.319 1.399 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCc1cccnc1)C1CC1 ZINC001326710902 989660308 /nfs/dbraw/zinc/66/03/08/989660308.db2.gz UPXUJHQKDRNMOA-ZDUSSCGKSA-N 1 2 248.326 1.555 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1CC(C)(C)C1 ZINC001521372571 989697546 /nfs/dbraw/zinc/69/75/46/989697546.db2.gz HPZZTJQNGSZCGE-UHFFFAOYSA-N 1 2 249.358 1.905 20 0 BDADLO CCC1(C)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001521605813 989748229 /nfs/dbraw/zinc/74/82/29/989748229.db2.gz JNKBRZNHJWNNND-UHFFFAOYSA-N 1 2 235.331 1.611 20 0 BDADLO Cc1ccccc1-c1nc(C[NH2+]C[C@H](C)O)no1 ZINC001120589003 989763806 /nfs/dbraw/zinc/76/38/06/989763806.db2.gz AJERMDDGSXNXGJ-JTQLQIEISA-N 1 2 247.298 1.515 20 0 BDADLO C[C@H]([NH2+]CC1(O)CCC1)c1noc(C(F)F)n1 ZINC001120596662 989771409 /nfs/dbraw/zinc/77/14/09/989771409.db2.gz XPGUGAMDUZLPIA-LURJTMIESA-N 1 2 247.245 1.573 20 0 BDADLO CCn1nc(C)cc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001522219256 989837860 /nfs/dbraw/zinc/83/78/60/989837860.db2.gz YFFXAGGNCOYBIQ-SSDOTTSWSA-N 1 2 246.261 1.132 20 0 BDADLO CCc1ccc(N2CC(=O)N(C)[C@H](C)C2)[nH+]c1 ZINC001120844505 989917731 /nfs/dbraw/zinc/91/77/31/989917731.db2.gz FYHOKSXEKAEDHV-SNVBAGLBSA-N 1 2 233.315 1.311 20 0 BDADLO Nc1cc(N2CCC(CCF)CC2)[nH+]cn1 ZINC001120868657 989937334 /nfs/dbraw/zinc/93/73/34/989937334.db2.gz WPYBBLXSYJKQOQ-UHFFFAOYSA-N 1 2 224.283 1.635 20 0 BDADLO CCn1[nH]cnc1=NCCCNc1cccc[nH+]1 ZINC001120883868 989946097 /nfs/dbraw/zinc/94/60/97/989946097.db2.gz MYNBLWQGCHLMLO-UHFFFAOYSA-N 1 2 246.318 1.029 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@@H](CO)C2)[nH+]1 ZINC001120949174 989984396 /nfs/dbraw/zinc/98/43/96/989984396.db2.gz MTDGOMUDGNTKOS-MWLCHTKSSA-N 1 2 238.306 1.984 20 0 BDADLO CCc1ccc(N2CCC[C@@H]2C2OCCO2)[nH+]c1 ZINC001120965812 989990714 /nfs/dbraw/zinc/99/07/14/989990714.db2.gz OPNHKDOHAFYREH-GFCCVEGCSA-N 1 2 248.326 1.986 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121309313 990073607 /nfs/dbraw/zinc/07/36/07/990073607.db2.gz YPKYRFAVKWOHOU-CMPLNLGQSA-N 1 2 247.342 1.782 20 0 BDADLO Cc1cc(CNC(=O)C[C@@H]2CCOC2)cc(C)[nH+]1 ZINC001525862825 990079480 /nfs/dbraw/zinc/07/94/80/990079480.db2.gz CNGWZYHNNQWJAA-LBPRGKRZSA-N 1 2 248.326 1.741 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NCC1(C2CC2)CC1 ZINC001528053843 990264925 /nfs/dbraw/zinc/26/49/25/990264925.db2.gz AYYWXKZOYWWEEJ-UHFFFAOYSA-N 1 2 247.342 1.659 20 0 BDADLO CNc1cc(N[C@H]2CO[C@@H](C)C2)nc[nH+]1 ZINC000401420060 990463790 /nfs/dbraw/zinc/46/37/90/990463790.db2.gz TYUHVYQWTUNLPN-JGVFFNPUSA-N 1 2 208.265 1.108 20 0 BDADLO CNc1cc(N[C@H]2CO[C@@H](C)C2)[nH+]cn1 ZINC000401420060 990463795 /nfs/dbraw/zinc/46/37/95/990463795.db2.gz TYUHVYQWTUNLPN-JGVFFNPUSA-N 1 2 208.265 1.108 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)CCC(F)F)c1 ZINC001535316757 990467663 /nfs/dbraw/zinc/46/76/63/990467663.db2.gz BCLLHPNUZHLIDF-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO CS[C@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001122969524 990476081 /nfs/dbraw/zinc/47/60/81/990476081.db2.gz LVGLHHQRUKMFSW-SECBINFHSA-N 1 2 242.344 1.647 20 0 BDADLO Cn1ccc(C(=O)OCC(C)(C)n2cc[nH+]c2)n1 ZINC001123048831 990496982 /nfs/dbraw/zinc/49/69/82/990496982.db2.gz ANGQFXQEMKPAGT-UHFFFAOYSA-N 1 2 248.286 1.209 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001537692802 990509753 /nfs/dbraw/zinc/50/97/53/990509753.db2.gz ARELFIVRKRXFRJ-QWRGUYRKSA-N 1 2 245.326 1.536 20 0 BDADLO CCO[C@@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123160779 990519654 /nfs/dbraw/zinc/51/96/54/990519654.db2.gz KURDAKMNPBRXEG-JTQLQIEISA-N 1 2 240.303 1.586 20 0 BDADLO CCN(CC(C)C)C(=O)CCc1[nH+]ccn1C ZINC001123494762 990597417 /nfs/dbraw/zinc/59/74/17/990597417.db2.gz PRYSBNFZAZOSDH-UHFFFAOYSA-N 1 2 237.347 1.857 20 0 BDADLO O=C(NC1CC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001540331851 990606454 /nfs/dbraw/zinc/60/64/54/990606454.db2.gz SOQJZYDLIZMMDX-UHFFFAOYSA-N 1 2 243.266 1.470 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@H]1F ZINC001123759774 990661828 /nfs/dbraw/zinc/66/18/28/990661828.db2.gz GNVPZCLWZJJKKT-UWVGGRQHSA-N 1 2 225.267 1.090 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)Nc1cncc(F)c1 ZINC001123773406 990663662 /nfs/dbraw/zinc/66/36/62/990663662.db2.gz IDHSBXBQKAKUEY-UHFFFAOYSA-N 1 2 248.261 1.526 20 0 BDADLO CNc1cc(CNC(=O)N2CC[C@@H](C)C2)cc[nH+]1 ZINC001123795822 990670949 /nfs/dbraw/zinc/67/09/49/990670949.db2.gz SVZGMKPJJZUKHO-SNVBAGLBSA-N 1 2 248.330 1.675 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001124014363 990732673 /nfs/dbraw/zinc/73/26/73/990732673.db2.gz CRBVKGFYDYDHKS-RYUDHWBXSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccc(O)cn2)[nH+]c1C ZINC001545361927 990750395 /nfs/dbraw/zinc/75/03/95/990750395.db2.gz DFTIYGNXQLDFMJ-UHFFFAOYSA-N 1 2 246.270 1.057 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1CC(Cl)(Cl)C1 ZINC001558529675 990760313 /nfs/dbraw/zinc/76/03/13/990760313.db2.gz RTNTVBIVHKGOGW-UHFFFAOYSA-N 1 2 248.113 1.336 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cs1 ZINC001137592364 990825269 /nfs/dbraw/zinc/82/52/69/990825269.db2.gz LEMYHQHICWSNNI-KOLCDFICSA-N 1 2 224.329 1.754 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)cs1 ZINC001137592364 990825272 /nfs/dbraw/zinc/82/52/72/990825272.db2.gz LEMYHQHICWSNNI-KOLCDFICSA-N 1 2 224.329 1.754 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)NCCCCCC(C)=O ZINC001556601485 990834267 /nfs/dbraw/zinc/83/42/67/990834267.db2.gz MLUOJGZKJNNOIH-LBPRGKRZSA-N 1 2 240.347 1.346 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)NCCCCCC(C)=O ZINC001556601485 990834271 /nfs/dbraw/zinc/83/42/71/990834271.db2.gz MLUOJGZKJNNOIH-LBPRGKRZSA-N 1 2 240.347 1.346 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(F)nc2)CC[C@H]1F ZINC001137735597 990844330 /nfs/dbraw/zinc/84/43/30/990844330.db2.gz ZQAGIPNGRXBBNY-NXEZZACHSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(F)nc2)CC[C@H]1F ZINC001137735597 990844337 /nfs/dbraw/zinc/84/43/37/990844337.db2.gz ZQAGIPNGRXBBNY-NXEZZACHSA-N 1 2 228.242 1.125 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841275 990914793 /nfs/dbraw/zinc/91/47/93/990914793.db2.gz GRTPGNCCOIQLHA-JTQLQIEISA-N 1 2 247.342 1.841 20 0 BDADLO CC[N@H+](Cc1cc(O)cc(O)c1)C1COC1 ZINC001138329919 990920081 /nfs/dbraw/zinc/92/00/81/990920081.db2.gz MLLABHSEOPAAKM-UHFFFAOYSA-N 1 2 223.272 1.319 20 0 BDADLO CC[N@@H+](Cc1cc(O)cc(O)c1)C1COC1 ZINC001138329919 990920089 /nfs/dbraw/zinc/92/00/89/990920089.db2.gz MLLABHSEOPAAKM-UHFFFAOYSA-N 1 2 223.272 1.319 20 0 BDADLO CCN1CC[N@H+](Cc2ncccc2O)C[C@H]1C ZINC001138397336 990937423 /nfs/dbraw/zinc/93/74/23/990937423.db2.gz OVEIEOVFJPWPCZ-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CCN1CC[N@@H+](Cc2ncccc2O)C[C@H]1C ZINC001138397336 990937428 /nfs/dbraw/zinc/93/74/28/990937428.db2.gz OVEIEOVFJPWPCZ-LLVKDONJSA-N 1 2 235.331 1.313 20 0 BDADLO CCc1[nH]c(CNC(=O)Cc2ccc(C)o2)c[nH+]1 ZINC001558497254 990951068 /nfs/dbraw/zinc/95/10/68/990951068.db2.gz HSBMUEWCBPAXIW-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO CCc1[nH]cc(CNC(=O)Cc2ccc(C)o2)[nH+]1 ZINC001558497254 990951078 /nfs/dbraw/zinc/95/10/78/990951078.db2.gz HSBMUEWCBPAXIW-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2C[C@@H](C)CO2)c[nH+]1 ZINC001558498105 990953507 /nfs/dbraw/zinc/95/35/07/990953507.db2.gz OIQCHZIKFICSGU-PSASIEDQSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@@H](C)CO2)[nH+]1 ZINC001558498105 990953515 /nfs/dbraw/zinc/95/35/15/990953515.db2.gz OIQCHZIKFICSGU-PSASIEDQSA-N 1 2 237.303 1.013 20 0 BDADLO C[C@@H](C(=O)NCC1C[NH+](CCF)C1)C1CC1 ZINC001567826323 990976043 /nfs/dbraw/zinc/97/60/43/990976043.db2.gz SWAOETUPAWIPLN-SECBINFHSA-N 1 2 228.311 1.050 20 0 BDADLO CCCn1ncc(C[N@@H+]2CCO[C@H](C)C2)c1C ZINC001138637181 990994108 /nfs/dbraw/zinc/99/41/08/990994108.db2.gz NIEPGWLNRPCWOU-LLVKDONJSA-N 1 2 237.347 1.822 20 0 BDADLO CCCn1ncc(C[N@H+]2CCO[C@H](C)C2)c1C ZINC001138637181 990994114 /nfs/dbraw/zinc/99/41/14/990994114.db2.gz NIEPGWLNRPCWOU-LLVKDONJSA-N 1 2 237.347 1.822 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1cccnc1F ZINC001138791549 991047519 /nfs/dbraw/zinc/04/75/19/991047519.db2.gz JGIRECTZTRUBFS-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1cccnc1F ZINC001138791549 991047533 /nfs/dbraw/zinc/04/75/33/991047533.db2.gz JGIRECTZTRUBFS-SNVBAGLBSA-N 1 2 210.252 1.441 20 0 BDADLO c1cc2cccc(C[NH+]3CC4(COC4)C3)n2n1 ZINC001138804726 991064874 /nfs/dbraw/zinc/06/48/74/991064874.db2.gz UCFCSGCQOMDFSX-UHFFFAOYSA-N 1 2 229.283 1.167 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@]23CCOC3)nn1C ZINC001138831241 991082047 /nfs/dbraw/zinc/08/20/47/991082047.db2.gz BGTIQTYQIWLJBN-GFCCVEGCSA-N 1 2 221.304 1.093 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@]23CCOC3)nn1C ZINC001138831241 991082058 /nfs/dbraw/zinc/08/20/58/991082058.db2.gz BGTIQTYQIWLJBN-GFCCVEGCSA-N 1 2 221.304 1.093 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC001308705056 991102714 /nfs/dbraw/zinc/10/27/14/991102714.db2.gz SKVOAEZJMWTYML-CMPLNLGQSA-N 1 2 229.320 1.487 20 0 BDADLO CCC(=O)Oc1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC001138962397 991116135 /nfs/dbraw/zinc/11/61/35/991116135.db2.gz ONVPHOHEPPHYRT-UHFFFAOYSA-N 1 2 249.310 1.569 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)C[C@@H]1F ZINC001139094526 991140918 /nfs/dbraw/zinc/14/09/18/991140918.db2.gz KEOHESUZLSMSKL-WDEREUQCSA-N 1 2 227.283 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2c(C)n[nH]c2C)C[C@@H]1F ZINC001139094526 991140926 /nfs/dbraw/zinc/14/09/26/991140926.db2.gz KEOHESUZLSMSKL-WDEREUQCSA-N 1 2 227.283 1.195 20 0 BDADLO Fc1cccnc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001308842577 991143614 /nfs/dbraw/zinc/14/36/14/991143614.db2.gz AFBPWPBBNNEVKU-OCAPTIKFSA-N 1 2 228.217 1.918 20 0 BDADLO Fc1cccnc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC001308842577 991143634 /nfs/dbraw/zinc/14/36/34/991143634.db2.gz AFBPWPBBNNEVKU-OCAPTIKFSA-N 1 2 228.217 1.918 20 0 BDADLO c1cn(Cc2ccc3nonc3c2)c[nH+]1 ZINC001559606849 991186791 /nfs/dbraw/zinc/18/67/91/991186791.db2.gz PJYKLCZSWPCZKN-UHFFFAOYSA-N 1 2 200.201 1.468 20 0 BDADLO CC(C)CCc1nnc(Cn2cc[nH+]c2)o1 ZINC001258264934 991191532 /nfs/dbraw/zinc/19/15/32/991191532.db2.gz PERPPUHNFBTNFC-UHFFFAOYSA-N 1 2 220.276 1.903 20 0 BDADLO O=C1CCC[N@H+](Cc2ccc3nonc3c2)CC1 ZINC001139220040 991196226 /nfs/dbraw/zinc/19/62/26/991196226.db2.gz AJTSXKDWQKZYJC-UHFFFAOYSA-N 1 2 245.282 1.778 20 0 BDADLO O=C1CCC[N@@H+](Cc2ccc3nonc3c2)CC1 ZINC001139220040 991196237 /nfs/dbraw/zinc/19/62/37/991196237.db2.gz AJTSXKDWQKZYJC-UHFFFAOYSA-N 1 2 245.282 1.778 20 0 BDADLO Nc1ncc(C[N@@H+]2CCCCC23COC3)s1 ZINC001139227891 991206205 /nfs/dbraw/zinc/20/62/05/991206205.db2.gz NUQPLLPERHUYCN-UHFFFAOYSA-N 1 2 239.344 1.480 20 0 BDADLO Nc1ncc(C[N@H+]2CCCCC23COC3)s1 ZINC001139227891 991206214 /nfs/dbraw/zinc/20/62/14/991206214.db2.gz NUQPLLPERHUYCN-UHFFFAOYSA-N 1 2 239.344 1.480 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(N)s1 ZINC001139230840 991207420 /nfs/dbraw/zinc/20/74/20/991207420.db2.gz KLNUSRUAVPPQHV-JTQLQIEISA-N 1 2 239.344 1.669 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(N)s1 ZINC001139230840 991207431 /nfs/dbraw/zinc/20/74/31/991207431.db2.gz KLNUSRUAVPPQHV-JTQLQIEISA-N 1 2 239.344 1.669 20 0 BDADLO CCc1ccc(C[NH2+][C@H](CO)c2ncc[nH]2)cc1 ZINC001308955409 991230645 /nfs/dbraw/zinc/23/06/45/991230645.db2.gz RMMAVQBKZWIURH-CYBMUJFWSA-N 1 2 245.326 1.795 20 0 BDADLO FC(F)(F)CCC[NH2+]C1(c2ncon2)CC1 ZINC001308955168 991230790 /nfs/dbraw/zinc/23/07/90/991230790.db2.gz NSHWXUJKZFBOQA-UHFFFAOYSA-N 1 2 235.209 1.991 20 0 BDADLO CC[C@H](CO)[NH2+][C@@H](CC)c1noc(C)n1 ZINC001559736121 991232664 /nfs/dbraw/zinc/23/26/64/991232664.db2.gz CNTFTOHJFBKZAE-BDAKNGLRSA-N 1 2 213.281 1.190 20 0 BDADLO Nc1ncnc(Cl)c1C[NH+]1C2CCC1CC2 ZINC001139440744 991241186 /nfs/dbraw/zinc/24/11/86/991241186.db2.gz KJMABFSKFGIOHM-UHFFFAOYSA-N 1 2 238.722 1.839 20 0 BDADLO CC[N@H+](Cc1ccc(N(C)C)nc1)C1COC1 ZINC001139458971 991246405 /nfs/dbraw/zinc/24/64/05/991246405.db2.gz VNEDSBVQZAQREY-UHFFFAOYSA-N 1 2 235.331 1.368 20 0 BDADLO CC[N@@H+](Cc1ccc(N(C)C)nc1)C1COC1 ZINC001139458971 991246415 /nfs/dbraw/zinc/24/64/15/991246415.db2.gz VNEDSBVQZAQREY-UHFFFAOYSA-N 1 2 235.331 1.368 20 0 BDADLO CC(C)CCc1nnc(C[N@@H+]2CC[C@@H](O)C2)o1 ZINC001258323144 991248228 /nfs/dbraw/zinc/24/82/28/991248228.db2.gz UQYIQLPINYRYCO-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)CCc1nnc(C[N@H+]2CC[C@@H](O)C2)o1 ZINC001258323144 991248235 /nfs/dbraw/zinc/24/82/35/991248235.db2.gz UQYIQLPINYRYCO-SNVBAGLBSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCOC1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC001139468604 991250248 /nfs/dbraw/zinc/25/02/48/991250248.db2.gz KSISUQPZWFNSGT-UHFFFAOYSA-N 1 2 236.315 1.788 20 0 BDADLO COC(=O)CC[C@@H](C)[N@H+](C)Cc1cscn1 ZINC001258375937 991326107 /nfs/dbraw/zinc/32/61/07/991326107.db2.gz XLBAHANWRIDZKE-SECBINFHSA-N 1 2 242.344 1.917 20 0 BDADLO COC(=O)CC[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC001258375937 991326119 /nfs/dbraw/zinc/32/61/19/991326119.db2.gz XLBAHANWRIDZKE-SECBINFHSA-N 1 2 242.344 1.917 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC[C@](C)(O)C2)s1 ZINC001139808735 991372411 /nfs/dbraw/zinc/37/24/11/991372411.db2.gz DPDUQXJBPQZNCT-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC[C@](C)(O)C2)s1 ZINC001139808735 991372419 /nfs/dbraw/zinc/37/24/19/991372419.db2.gz DPDUQXJBPQZNCT-LLVKDONJSA-N 1 2 242.344 1.035 20 0 BDADLO COCc1ccc(C[NH+]2CC(C)(O)C2)s1 ZINC001139824101 991381074 /nfs/dbraw/zinc/38/10/74/991381074.db2.gz OHYGJVAWOZHHDH-UHFFFAOYSA-N 1 2 227.329 1.461 20 0 BDADLO COc1ncc(C[N@@H+](C)CC(OC)OC)s1 ZINC001139818328 991381606 /nfs/dbraw/zinc/38/16/06/991381606.db2.gz CKTWICRBTHYFRC-UHFFFAOYSA-N 1 2 246.332 1.202 20 0 BDADLO COc1ncc(C[N@H+](C)CC(OC)OC)s1 ZINC001139818328 991381609 /nfs/dbraw/zinc/38/16/09/991381609.db2.gz CKTWICRBTHYFRC-UHFFFAOYSA-N 1 2 246.332 1.202 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(C)cn2)C1 ZINC001139838693 991394251 /nfs/dbraw/zinc/39/42/51/991394251.db2.gz MIMHXXQMSIQRDZ-UHFFFAOYSA-N 1 2 234.299 1.385 20 0 BDADLO CCOC(=O)C1([NH2+][C@H](C)CC2CC2)CC1 ZINC001258448421 991396081 /nfs/dbraw/zinc/39/60/81/991396081.db2.gz LBTKZNUIBWCCKF-SECBINFHSA-N 1 2 211.305 1.860 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)cn2)C[C@@H]1C ZINC001139842199 991401093 /nfs/dbraw/zinc/40/10/93/991401093.db2.gz AIUJXJBWKQCCFM-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)cn2)C[C@@H]1C ZINC001139842199 991401095 /nfs/dbraw/zinc/40/10/95/991401095.db2.gz AIUJXJBWKQCCFM-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H](C)CC1CC1 ZINC001258464480 991420910 /nfs/dbraw/zinc/42/09/10/991420910.db2.gz KRUYDCPYOVTJLN-LSJOCFKGSA-N 1 2 229.295 1.760 20 0 BDADLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H](C)CC1CC1 ZINC001258464480 991420921 /nfs/dbraw/zinc/42/09/21/991420921.db2.gz KRUYDCPYOVTJLN-LSJOCFKGSA-N 1 2 229.295 1.760 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOC3(CC3)C2)cn1 ZINC001139934697 991427451 /nfs/dbraw/zinc/42/74/51/991427451.db2.gz XCTZHEAMGRUQOH-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ccc(C[N@H+]2CCOC3(CC3)C2)cn1 ZINC001139934697 991427456 /nfs/dbraw/zinc/42/74/56/991427456.db2.gz XCTZHEAMGRUQOH-UHFFFAOYSA-N 1 2 218.300 1.755 20 0 BDADLO Cc1ncccc1C[N@H+](C)Cc1cccnn1 ZINC001139973659 991444108 /nfs/dbraw/zinc/44/41/08/991444108.db2.gz COPBLRXAEQRYIM-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncccc1C[N@@H+](C)Cc1cccnn1 ZINC001139973659 991444114 /nfs/dbraw/zinc/44/41/14/991444114.db2.gz COPBLRXAEQRYIM-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2cccnn2)cn1 ZINC001139974260 991447740 /nfs/dbraw/zinc/44/77/40/991447740.db2.gz XZFNYASWJFXDNJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2cccnn2)cn1 ZINC001139974260 991447745 /nfs/dbraw/zinc/44/77/45/991447745.db2.gz XZFNYASWJFXDNJ-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnnc1 ZINC001139984301 991460732 /nfs/dbraw/zinc/46/07/32/991460732.db2.gz ZLEFXUZBMMZPPP-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnnc1 ZINC001139984301 991460738 /nfs/dbraw/zinc/46/07/38/991460738.db2.gz ZLEFXUZBMMZPPP-LLVKDONJSA-N 1 2 228.299 1.855 20 0 BDADLO C[C@@H]1COCC[N@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988374 991468369 /nfs/dbraw/zinc/46/83/69/991468369.db2.gz VLGNFUDOFANMIW-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cc2cnc(Cl)nc2)C1 ZINC001139988374 991468374 /nfs/dbraw/zinc/46/83/74/991468374.db2.gz VLGNFUDOFANMIW-VIFPVBQESA-N 1 2 241.722 1.598 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(Cl)nc1 ZINC001139987731 991469539 /nfs/dbraw/zinc/46/95/39/991469539.db2.gz BXIFJXOKAXFKTO-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(Cl)nc1 ZINC001139987731 991469543 /nfs/dbraw/zinc/46/95/43/991469543.db2.gz BXIFJXOKAXFKTO-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO COc1cncc(CNc2cc(CO)cc[nH+]2)c1 ZINC001560510739 991491293 /nfs/dbraw/zinc/49/12/93/991491293.db2.gz JNAOQMYHIXDINV-UHFFFAOYSA-N 1 2 245.282 1.590 20 0 BDADLO CCCC(=O)NCC[N@H+](C)Cc1cncs1 ZINC001317438648 991503384 /nfs/dbraw/zinc/50/33/84/991503384.db2.gz GTBHWAOYCHKZAG-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO CCCC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC001317438648 991503396 /nfs/dbraw/zinc/50/33/96/991503396.db2.gz GTBHWAOYCHKZAG-UHFFFAOYSA-N 1 2 241.360 1.491 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001140052146 991503516 /nfs/dbraw/zinc/50/35/16/991503516.db2.gz HAVIBZBGOLMIBI-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001140052146 991503522 /nfs/dbraw/zinc/50/35/22/991503522.db2.gz HAVIBZBGOLMIBI-CYBMUJFWSA-N 1 2 237.274 1.896 20 0 BDADLO CC1(C)CC[C@@H]([NH+]2CC(S(C)(=O)=O)C2)C1 ZINC001258605290 991521942 /nfs/dbraw/zinc/52/19/42/991521942.db2.gz STQXXCACMRHFRW-SECBINFHSA-N 1 2 231.361 1.294 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)c(C)cc1O ZINC001140200017 991563785 /nfs/dbraw/zinc/56/37/85/991563785.db2.gz KZDPBQVMLVOQDI-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)c(C)cc1O ZINC001140200017 991563799 /nfs/dbraw/zinc/56/37/99/991563799.db2.gz KZDPBQVMLVOQDI-LLVKDONJSA-N 1 2 248.326 1.329 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(C)cc1O ZINC001140202615 991564954 /nfs/dbraw/zinc/56/49/54/991564954.db2.gz UBTZDHHYUCCDPY-OCCSQVGLSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)c(C)cc1O ZINC001140202615 991564969 /nfs/dbraw/zinc/56/49/69/991564969.db2.gz UBTZDHHYUCCDPY-OCCSQVGLSA-N 1 2 233.311 1.982 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncn2)CCCC1=O ZINC001140347145 991618638 /nfs/dbraw/zinc/61/86/38/991618638.db2.gz XZEGZIZEYDLSCR-JTQLQIEISA-N 1 2 219.288 1.278 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncn2)CCCC1=O ZINC001140347145 991618648 /nfs/dbraw/zinc/61/86/48/991618648.db2.gz XZEGZIZEYDLSCR-JTQLQIEISA-N 1 2 219.288 1.278 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318225755 991636263 /nfs/dbraw/zinc/63/62/63/991636263.db2.gz GXHJXYWHZDKYGJ-WDEREUQCSA-N 1 2 223.320 1.947 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318491092 991664753 /nfs/dbraw/zinc/66/47/53/991664753.db2.gz NVYHFOIAVIDDNK-QWRGUYRKSA-N 1 2 221.304 1.845 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC001560951468 991666385 /nfs/dbraw/zinc/66/63/85/991666385.db2.gz JAPDDGZNGPEFPT-VIFPVBQESA-N 1 2 209.293 1.193 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCCc2[nH]ncc2C1 ZINC001560951468 991666389 /nfs/dbraw/zinc/66/63/89/991666389.db2.gz JAPDDGZNGPEFPT-VIFPVBQESA-N 1 2 209.293 1.193 20 0 BDADLO COC1C[NH+](Cc2ccc(O)c(C)c2)C1 ZINC001140574457 991673306 /nfs/dbraw/zinc/67/33/06/991673306.db2.gz FQZDCFNZFQKOMX-UHFFFAOYSA-N 1 2 207.273 1.531 20 0 BDADLO CSC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318618215 991689158 /nfs/dbraw/zinc/68/91/58/991689158.db2.gz SAVZZPGIQAIPSU-IUCAKERBSA-N 1 2 227.333 1.312 20 0 BDADLO Cc1ccccc1C[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001561022350 991690716 /nfs/dbraw/zinc/69/07/16/991690716.db2.gz NBVAPGSEIKPWJV-LBPRGKRZSA-N 1 2 231.299 1.541 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC001258808801 991813431 /nfs/dbraw/zinc/81/34/31/991813431.db2.gz UDPQQXIJDJASLT-KKOKHZNYSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]1CCC[C@@H]([NH+]2CC(F)(CO)C2)C1 ZINC001258819450 991835849 /nfs/dbraw/zinc/83/58/49/991835849.db2.gz QZDGYEKPSQDGRJ-NXEZZACHSA-N 1 2 201.285 1.581 20 0 BDADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1O ZINC001566326999 991841271 /nfs/dbraw/zinc/84/12/71/991841271.db2.gz HYLUHDISOAMRGE-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnoc1C1CC1 ZINC001319547367 991889470 /nfs/dbraw/zinc/88/94/70/991889470.db2.gz GWQWZUSVIZPLEZ-UHFFFAOYSA-N 1 2 246.270 1.514 20 0 BDADLO C[C@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)CCC1=O ZINC001319702431 991941497 /nfs/dbraw/zinc/94/14/97/991941497.db2.gz WKQJYQKTZXUZJY-UWVGGRQHSA-N 1 2 249.314 1.074 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cccnc1 ZINC001319744536 991958488 /nfs/dbraw/zinc/95/84/88/991958488.db2.gz XRPOOKBERGYLSC-SNVBAGLBSA-N 1 2 243.314 1.470 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319892888 992022000 /nfs/dbraw/zinc/02/20/00/992022000.db2.gz CKCNAIQOEPQQLK-PWSUYJOCSA-N 1 2 239.319 1.111 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC12CCC(CC1)C2 ZINC001567514980 992056584 /nfs/dbraw/zinc/05/65/84/992056584.db2.gz NWZYUYDRRGMVIL-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO CC[C@@H](C)S(=O)(=O)Nc1cc[nH+]cc1 ZINC001260721898 992133624 /nfs/dbraw/zinc/13/36/24/992133624.db2.gz LFUDNLIXJJRJRY-MRVPVSSYSA-N 1 2 214.290 1.044 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CC(F)(F)C1 ZINC001320283621 992157236 /nfs/dbraw/zinc/15/72/36/992157236.db2.gz WBHXCGOAZUCFTP-UHFFFAOYSA-N 1 2 237.209 1.425 20 0 BDADLO CC(=O)N[C@H](C)CC[NH2+]CC(F)(F)C(F)F ZINC001568595053 992195374 /nfs/dbraw/zinc/19/53/74/992195374.db2.gz HMWMXOAJAYUDEJ-ZCFIWIBFSA-N 1 2 244.232 1.391 20 0 BDADLO CC1(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001320484409 992218886 /nfs/dbraw/zinc/21/88/86/992218886.db2.gz STLZMCWJVUMEHZ-SECBINFHSA-N 1 2 234.303 1.050 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)[nH]n2)[C@@H]1C ZINC001320633955 992283139 /nfs/dbraw/zinc/28/31/39/992283139.db2.gz RGGNYHNZGJDRJC-KOLCDFICSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)[nH]n2)[C@@H]1C ZINC001320633955 992283154 /nfs/dbraw/zinc/28/31/54/992283154.db2.gz RGGNYHNZGJDRJC-KOLCDFICSA-N 1 2 237.303 1.102 20 0 BDADLO CO[C@@H]1CC[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001320660612 992301652 /nfs/dbraw/zinc/30/16/52/992301652.db2.gz AQUDWZHUYGNEOQ-OUAUKWLOSA-N 1 2 237.303 1.128 20 0 BDADLO Cc1cc(C[N@H+](CC(C)(C)O)C2CC2)n[nH]1 ZINC001320774857 992353401 /nfs/dbraw/zinc/35/34/01/992353401.db2.gz JKKNTJVEIHNINB-UHFFFAOYSA-N 1 2 223.320 1.453 20 0 BDADLO Cc1cc(C[N@@H+](CC(C)(C)O)C2CC2)n[nH]1 ZINC001320774857 992353413 /nfs/dbraw/zinc/35/34/13/992353413.db2.gz JKKNTJVEIHNINB-UHFFFAOYSA-N 1 2 223.320 1.453 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001569350998 992365185 /nfs/dbraw/zinc/36/51/85/992365185.db2.gz ULUZVCGPRWNPJE-RYUDHWBXSA-N 1 2 244.354 1.973 20 0 BDADLO CCC[C@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001569350998 992365192 /nfs/dbraw/zinc/36/51/92/992365192.db2.gz ULUZVCGPRWNPJE-RYUDHWBXSA-N 1 2 244.354 1.973 20 0 BDADLO CS[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569753569 992422882 /nfs/dbraw/zinc/42/28/82/992422882.db2.gz RMGOAMSENBVPQU-VIFPVBQESA-N 1 2 239.344 1.225 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CC2CCC1CC2 ZINC001261638190 992433134 /nfs/dbraw/zinc/43/31/34/992433134.db2.gz TXCBZUVRBBNCLY-UHFFFAOYSA-N 1 2 206.293 1.222 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CC2CCC1CC2 ZINC001261638190 992433139 /nfs/dbraw/zinc/43/31/39/992433139.db2.gz TXCBZUVRBBNCLY-UHFFFAOYSA-N 1 2 206.293 1.222 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)[nH]n1 ZINC001321035369 992437791 /nfs/dbraw/zinc/43/77/91/992437791.db2.gz VDZBIVVRMSCQAB-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)[nH]n1 ZINC001321035369 992437797 /nfs/dbraw/zinc/43/77/97/992437797.db2.gz VDZBIVVRMSCQAB-LBPRGKRZSA-N 1 2 237.347 1.965 20 0 BDADLO CCN(CC(F)F)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001321049353 992443220 /nfs/dbraw/zinc/44/32/20/992443220.db2.gz UCRFREVUNXTLSN-QMMMGPOBSA-N 1 2 231.246 1.558 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)c2ncnn21 ZINC001261671676 992457020 /nfs/dbraw/zinc/45/70/20/992457020.db2.gz WXTJJVGAKQDAEY-VXNVDRBHSA-N 1 2 235.316 1.530 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCCC2 ZINC001261738698 992475726 /nfs/dbraw/zinc/47/57/26/992475726.db2.gz YXOKDLHZQFPYQX-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO C[C@@H](c1nc(-c2ccn(C)n2)no1)n1cc[nH+]c1 ZINC001261890371 992562949 /nfs/dbraw/zinc/56/29/49/992562949.db2.gz BRSNXRNJYWMIKE-QMMMGPOBSA-N 1 2 244.258 1.276 20 0 BDADLO CCC(F)(F)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001262021225 992608490 /nfs/dbraw/zinc/60/84/90/992608490.db2.gz ZETDFTVUSYXHBW-UHFFFAOYSA-N 1 2 246.301 1.634 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCc2nn[nH]c2C1 ZINC001262273493 992829606 /nfs/dbraw/zinc/82/96/06/992829606.db2.gz ZCZCLLYTFJVYIV-QMMMGPOBSA-N 1 2 247.277 1.458 20 0 BDADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCc2nn[nH]c2C1 ZINC001262273493 992829611 /nfs/dbraw/zinc/82/96/11/992829611.db2.gz ZCZCLLYTFJVYIV-QMMMGPOBSA-N 1 2 247.277 1.458 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nc(C2CC2)no1 ZINC001262332779 992840663 /nfs/dbraw/zinc/84/06/63/992840663.db2.gz LFJMYLPXTILNRB-VHSXEESVSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nc(C2CC2)no1 ZINC001262332779 992840668 /nfs/dbraw/zinc/84/06/68/992840668.db2.gz LFJMYLPXTILNRB-VHSXEESVSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(C2CC2)no1 ZINC001262332777 992840964 /nfs/dbraw/zinc/84/09/64/992840964.db2.gz LFJMYLPXTILNRB-NXEZZACHSA-N 1 2 237.303 1.556 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(C2CC2)no1 ZINC001262332777 992840970 /nfs/dbraw/zinc/84/09/70/992840970.db2.gz LFJMYLPXTILNRB-NXEZZACHSA-N 1 2 237.303 1.556 20 0 BDADLO O=C(O[C@@H]1COc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC001574429602 992859452 /nfs/dbraw/zinc/85/94/52/992859452.db2.gz RQOUOYYBBMZJCS-WCQYABFASA-N 1 2 247.294 1.805 20 0 BDADLO CNc1cc(N(C)[C@H]2C[C@@H](OC)C2)nc[nH+]1 ZINC001262365549 992861866 /nfs/dbraw/zinc/86/18/66/992861866.db2.gz FLPUSLZSHCRISS-DTORHVGOSA-N 1 2 222.292 1.132 20 0 BDADLO CNc1cc(N(C)[C@H]2C[C@@H](OC)C2)[nH+]cn1 ZINC001262365549 992861870 /nfs/dbraw/zinc/86/18/70/992861870.db2.gz FLPUSLZSHCRISS-DTORHVGOSA-N 1 2 222.292 1.132 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H]3C[C@]3(CO)C2)[nH+]1 ZINC001262692221 993033287 /nfs/dbraw/zinc/03/32/87/993033287.db2.gz CDMQPTGAYQCPOR-JOYOIKCWSA-N 1 2 222.263 1.348 20 0 BDADLO Cn1c(C[NH+]2CCCCC2)nnc1N1CCCC1 ZINC001262902445 993088704 /nfs/dbraw/zinc/08/87/04/993088704.db2.gz DFVPUIWHJJYWBH-UHFFFAOYSA-N 1 2 249.362 1.401 20 0 BDADLO CC1(C)C(C)(C)C1(C)NC(=O)C[C@@H]([NH3+])C(F)F ZINC001263260104 993193379 /nfs/dbraw/zinc/19/33/79/993193379.db2.gz QNPSXETYRLJHAU-SSDOTTSWSA-N 1 2 248.317 1.910 20 0 BDADLO Cc1c(C[NH2+][C@H]2CCn3ccnc32)cnn1C ZINC000379031473 993214319 /nfs/dbraw/zinc/21/43/19/993214319.db2.gz WRXQXTAQMZFOEG-NSHDSACASA-N 1 2 231.303 1.160 20 0 BDADLO CC(C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263543798 993377113 /nfs/dbraw/zinc/37/71/13/993377113.db2.gz KCKWRVTVTAFQHV-UHFFFAOYSA-N 1 2 210.277 1.817 20 0 BDADLO CCNc1cc(CNC(=O)N[C@@H]2C[C@H]2C)cc[nH+]1 ZINC001263727079 993481137 /nfs/dbraw/zinc/48/11/37/993481137.db2.gz BOXGXNDCKKEURY-MWLCHTKSSA-N 1 2 248.330 1.721 20 0 BDADLO CNc1cc(CNC(=O)NC2CC2)cc[nH+]1 ZINC001263763384 993495559 /nfs/dbraw/zinc/49/55/59/993495559.db2.gz DBXRFQXPHPLSOD-UHFFFAOYSA-N 1 2 220.276 1.085 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC(C)(C)C(F)F ZINC001263816162 993532115 /nfs/dbraw/zinc/53/21/15/993532115.db2.gz VDPOUJAKSISCDX-UHFFFAOYSA-N 1 2 245.273 1.513 20 0 BDADLO COC[C@@H](O)CNc1cc(C)c2ccccc2[nH+]1 ZINC000385284259 993656607 /nfs/dbraw/zinc/65/66/07/993656607.db2.gz UMDICMBOVGILKD-NSHDSACASA-N 1 2 246.310 1.384 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)c2nccn21 ZINC000388382315 993729971 /nfs/dbraw/zinc/72/99/71/993729971.db2.gz RZQXFPGUTIVIOS-MWLCHTKSSA-N 1 2 231.303 1.412 20 0 BDADLO Cc1c[nH+]c(NC[C@H]2COCCN2C)c(C)c1 ZINC000700196861 993823860 /nfs/dbraw/zinc/82/38/60/993823860.db2.gz DZFHFJMIAVTXLF-LBPRGKRZSA-N 1 2 235.331 1.441 20 0 BDADLO CCO[C@H]1CC[N@H+](CC(=O)OC(C)C)C1 ZINC000701831023 993915931 /nfs/dbraw/zinc/91/59/31/993915931.db2.gz YPUSXVJQRJZAFF-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO CCO[C@H]1CC[N@@H+](CC(=O)OC(C)C)C1 ZINC000701831023 993915942 /nfs/dbraw/zinc/91/59/42/993915942.db2.gz YPUSXVJQRJZAFF-JTQLQIEISA-N 1 2 215.293 1.049 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1n[nH]c2ccccc21 ZINC001289956107 994511102 /nfs/dbraw/zinc/51/11/02/994511102.db2.gz FAFFACLYBLCYOF-UHFFFAOYSA-N 1 2 241.254 1.467 20 0 BDADLO O=C(CSC(F)F)NCCCn1cc[nH+]c1 ZINC001290096689 994521351 /nfs/dbraw/zinc/52/13/51/994521351.db2.gz KAULFIXVZMGADB-UHFFFAOYSA-N 1 2 249.286 1.345 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(COC)c1 ZINC001290649817 994552624 /nfs/dbraw/zinc/55/26/24/994552624.db2.gz XBKZVZMSSZURRI-CYBMUJFWSA-N 1 2 248.326 1.866 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(COC)c1 ZINC001290649817 994552630 /nfs/dbraw/zinc/55/26/30/994552630.db2.gz XBKZVZMSSZURRI-CYBMUJFWSA-N 1 2 248.326 1.866 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1ccc(F)s1 ZINC001290854712 994564081 /nfs/dbraw/zinc/56/40/81/994564081.db2.gz NCLFUTFNMVKJIX-UHFFFAOYSA-N 1 2 239.275 1.514 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC1(C)C ZINC001294292169 994693408 /nfs/dbraw/zinc/69/34/08/994693408.db2.gz IAOUAAYHQCFRJP-NSHDSACASA-N 1 2 235.331 1.956 20 0 BDADLO C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])c(C)c1 ZINC001598668049 994708975 /nfs/dbraw/zinc/70/89/75/994708975.db2.gz VAJGXRBXLVRQFF-SNVBAGLBSA-N 1 2 236.315 1.391 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N1CCc2ccc(F)cc21 ZINC001297304367 994859858 /nfs/dbraw/zinc/85/98/58/994859858.db2.gz WINGOBRPBXGSMK-UHFFFAOYSA-N 1 2 245.257 1.681 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCCC(F)F ZINC001336778304 995105360 /nfs/dbraw/zinc/10/53/60/995105360.db2.gz WCHFOTNPTSNVDB-UHFFFAOYSA-N 1 2 241.245 1.821 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccsn1 ZINC001302924179 995132514 /nfs/dbraw/zinc/13/25/14/995132514.db2.gz JALBSHJNGWSFEZ-SSDOTTSWSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccsn1 ZINC001302924179 995132519 /nfs/dbraw/zinc/13/25/19/995132519.db2.gz JALBSHJNGWSFEZ-SSDOTTSWSA-N 1 2 236.300 1.684 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCSC1 ZINC001337445127 995183039 /nfs/dbraw/zinc/18/30/39/995183039.db2.gz VKJCYLBXCATSQO-SECBINFHSA-N 1 2 239.344 1.511 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCSC1 ZINC001337445127 995183042 /nfs/dbraw/zinc/18/30/42/995183042.db2.gz VKJCYLBXCATSQO-SECBINFHSA-N 1 2 239.344 1.511 20 0 BDADLO Cc1ocnc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001338994355 995248030 /nfs/dbraw/zinc/24/80/30/995248030.db2.gz ZYMPCASATKGVEB-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1cc(C)c(COCc2nn[nH]n2)c(C)[nH+]1 ZINC001339182506 995257917 /nfs/dbraw/zinc/25/79/17/995257917.db2.gz FFQSKGPZRMBLPS-UHFFFAOYSA-N 1 2 233.275 1.237 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2nnnn2C)cc1F ZINC001308136986 995564482 /nfs/dbraw/zinc/56/44/82/995564482.db2.gz WQYZFYRFEJWOEJ-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cnon2)CCO1 ZINC001308168816 995585918 /nfs/dbraw/zinc/58/59/18/995585918.db2.gz OANRSVIXHWGYES-NSHDSACASA-N 1 2 239.319 1.707 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnon2)CCO1 ZINC001308168816 995585929 /nfs/dbraw/zinc/58/59/29/995585929.db2.gz OANRSVIXHWGYES-NSHDSACASA-N 1 2 239.319 1.707 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]CCOC ZINC000053257150 136210024 /nfs/dbraw/zinc/21/00/24/136210024.db2.gz SBWVLWQCUSJBFR-UHFFFAOYSA-N 1 2 217.309 1.344 20 0 BDADLO CN(Cc1ccc[nH]1)C(=O)NCCn1cc[nH+]c1 ZINC000083018538 349455574 /nfs/dbraw/zinc/45/55/74/349455574.db2.gz ODVRQAMETNXKHN-UHFFFAOYSA-N 1 2 247.302 1.053 20 0 BDADLO CCCC[C@H]([NH2+]CC1(OC)CCC1)C(=O)OC ZINC000182657463 346808230 /nfs/dbraw/zinc/80/82/30/346808230.db2.gz CAIMNMYZBHRTEJ-NSHDSACASA-N 1 2 243.347 1.877 20 0 BDADLO OCCC[N@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000605427715 343977703 /nfs/dbraw/zinc/97/77/03/343977703.db2.gz BQCAPEIOHOEEHM-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO OCCC[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000605427715 343977705 /nfs/dbraw/zinc/97/77/05/343977705.db2.gz BQCAPEIOHOEEHM-UHFFFAOYSA-N 1 2 237.303 1.294 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000084862389 136211614 /nfs/dbraw/zinc/21/16/14/136211614.db2.gz UPZIFOILAYCVKN-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1F ZINC000084862389 136211615 /nfs/dbraw/zinc/21/16/15/136211615.db2.gz UPZIFOILAYCVKN-NSHDSACASA-N 1 2 240.253 1.415 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC12CC2 ZINC000425598178 192026302 /nfs/dbraw/zinc/02/63/02/192026302.db2.gz GWUBGDAOAUZQJJ-NSHDSACASA-N 1 2 248.330 1.467 20 0 BDADLO CO[C@@H]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000340582875 398147536 /nfs/dbraw/zinc/14/75/36/398147536.db2.gz DPMKLEHHDZTPJE-GHMZBOCLSA-N 1 2 237.303 1.231 20 0 BDADLO CO[C@@H]1CCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000340582875 398147539 /nfs/dbraw/zinc/14/75/39/398147539.db2.gz DPMKLEHHDZTPJE-GHMZBOCLSA-N 1 2 237.303 1.231 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)[C@@H](C)CCO)o1 ZINC000649866948 398148336 /nfs/dbraw/zinc/14/83/36/398148336.db2.gz AJDKZOIKWGLHAC-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)CCO)o1 ZINC000649866948 398148339 /nfs/dbraw/zinc/14/83/39/398148339.db2.gz AJDKZOIKWGLHAC-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO C[C@H](O)CC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333861 398150526 /nfs/dbraw/zinc/15/05/26/398150526.db2.gz HTVGTUHZPJWJIB-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO C[C@H](O)CC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333861 398150527 /nfs/dbraw/zinc/15/05/27/398150527.db2.gz HTVGTUHZPJWJIB-YIZRAAEISA-N 1 2 241.253 1.409 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cs1 ZINC000309336813 178005103 /nfs/dbraw/zinc/00/51/03/178005103.db2.gz UJQFHTFEPVVGGP-CABZTGNLSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cs1 ZINC000309336813 178005104 /nfs/dbraw/zinc/00/51/04/178005104.db2.gz UJQFHTFEPVVGGP-CABZTGNLSA-N 1 2 241.356 1.638 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)nn1C ZINC000336714382 178005120 /nfs/dbraw/zinc/00/51/20/178005120.db2.gz TURHTOTUCSHSGQ-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)nn1C ZINC000336714382 178005122 /nfs/dbraw/zinc/00/51/22/178005122.db2.gz TURHTOTUCSHSGQ-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C(F)F ZINC000379546849 398152358 /nfs/dbraw/zinc/15/23/58/398152358.db2.gz XMCFCOPLONKERN-NKWVEPMBSA-N 1 2 208.252 1.096 20 0 BDADLO C=Cn1cc(C[NH2+][C@@H](C)C(F)F)cn1 ZINC000389940349 398153287 /nfs/dbraw/zinc/15/32/87/398153287.db2.gz MDMNBJXXVHJLLW-ZETCQYMHSA-N 1 2 201.220 1.727 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CC[C@@H](C)O2)cc(C)[nH+]1 ZINC000333617187 178015050 /nfs/dbraw/zinc/01/50/50/178015050.db2.gz SWXKSVYATXTNJH-DGCLKSJQSA-N 1 2 248.326 1.882 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2CCCO2)cc(C)[nH+]1 ZINC000333756714 178015088 /nfs/dbraw/zinc/01/50/88/178015088.db2.gz OJICNSYVTXKSLW-GFCCVEGCSA-N 1 2 234.299 1.494 20 0 BDADLO Cc1nc(N2CC([C@H]3CCOC3)C2)c(C)c(C)[nH+]1 ZINC000366495770 398168371 /nfs/dbraw/zinc/16/83/71/398168371.db2.gz UEHYSWFNVHZWLV-LBPRGKRZSA-N 1 2 247.342 1.875 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)o1 ZINC000649899451 398169604 /nfs/dbraw/zinc/16/96/04/398169604.db2.gz GDCPBPZTBWIYJU-SNVBAGLBSA-N 1 2 243.257 1.863 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)o1 ZINC000649899451 398169605 /nfs/dbraw/zinc/16/96/05/398169605.db2.gz GDCPBPZTBWIYJU-SNVBAGLBSA-N 1 2 243.257 1.863 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@H]1CC1CCC1 ZINC000339767401 398170113 /nfs/dbraw/zinc/17/01/13/398170113.db2.gz KDHHPXDMBPENHG-CYBMUJFWSA-N 1 2 249.358 1.811 20 0 BDADLO Cc1cc(CN[C@H](c2[nH+]ccn2C)C2CC2)no1 ZINC000362374775 178038001 /nfs/dbraw/zinc/03/80/01/178038001.db2.gz DDRVJVAIQWDSDD-LBPRGKRZSA-N 1 2 246.314 1.957 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)n(C)n2)n(C)n1 ZINC000284288733 178038346 /nfs/dbraw/zinc/03/83/46/178038346.db2.gz UDNZGBAIABALEI-LLVKDONJSA-N 1 2 247.346 1.621 20 0 BDADLO Cc1cc(C[NH2+][C@H](CCO)c2ccco2)nn1C ZINC000346145242 178038972 /nfs/dbraw/zinc/03/89/72/178038972.db2.gz BNNRIVUXTZSBBF-GFCCVEGCSA-N 1 2 249.314 1.535 20 0 BDADLO Cc1cc(CNc2cc[nH+]c(C)n2)on1 ZINC000054936397 178044943 /nfs/dbraw/zinc/04/49/43/178044943.db2.gz JLKIKQLLOUGNIE-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CC=C(C)C ZINC000113003688 398180023 /nfs/dbraw/zinc/18/00/23/398180023.db2.gz QBRBQNAIXKQQII-LLVKDONJSA-N 1 2 233.377 1.708 20 0 BDADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CC=C(C)C ZINC000113003688 398180027 /nfs/dbraw/zinc/18/00/27/398180027.db2.gz QBRBQNAIXKQQII-LLVKDONJSA-N 1 2 233.377 1.708 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC(C)(F)F)[nH+]1 ZINC000378723919 346817941 /nfs/dbraw/zinc/81/79/41/346817941.db2.gz HPLOAIUAOWAWBC-UHFFFAOYSA-N 1 2 226.230 1.755 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CC1CC1 ZINC000649882888 398164599 /nfs/dbraw/zinc/16/45/99/398164599.db2.gz FNRGYOAZSSOXSK-LBPRGKRZSA-N 1 2 221.304 1.203 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CC1CC1 ZINC000649882888 398164604 /nfs/dbraw/zinc/16/46/04/398164604.db2.gz FNRGYOAZSSOXSK-LBPRGKRZSA-N 1 2 221.304 1.203 20 0 BDADLO CCN(CC(F)F)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649921854 398187834 /nfs/dbraw/zinc/18/78/34/398187834.db2.gz FAJNLQHIQSHPCL-SECBINFHSA-N 1 2 245.273 1.948 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000649942982 398193369 /nfs/dbraw/zinc/19/33/69/398193369.db2.gz XRYDKNJMOOHFCF-SDDRHHMPSA-N 1 2 242.338 1.820 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000649942982 398193371 /nfs/dbraw/zinc/19/33/71/398193371.db2.gz XRYDKNJMOOHFCF-SDDRHHMPSA-N 1 2 242.338 1.820 20 0 BDADLO OCc1cc[nH+]c(N2CCC3(CCC3)C2)c1 ZINC000380425351 398197829 /nfs/dbraw/zinc/19/78/29/398197829.db2.gz RWQWMFUMJHIPKR-UHFFFAOYSA-N 1 2 218.300 1.954 20 0 BDADLO Cc1cnc(NCCNc2cccc[nH+]2)s1 ZINC000336748461 398198752 /nfs/dbraw/zinc/19/87/52/398198752.db2.gz XXKZRMQOMCFVLP-UHFFFAOYSA-N 1 2 234.328 1.792 20 0 BDADLO Cc1cc(N2CC(=O)N(C)C2)nc(C(C)C)[nH+]1 ZINC000359088353 178110801 /nfs/dbraw/zinc/11/08/01/178110801.db2.gz YVXTVRFMQZDKOY-UHFFFAOYSA-N 1 2 234.303 1.144 20 0 BDADLO Cc1cc(N2CC3(C2)CCOC3)nc(C2CC2)[nH+]1 ZINC000294108924 178113496 /nfs/dbraw/zinc/11/34/96/178113496.db2.gz PBANUSOSFPOWKZ-UHFFFAOYSA-N 1 2 245.326 1.889 20 0 BDADLO Cc1cc(N2CCOC[C@H](C)C2)nc[nH+]1 ZINC000338253670 178116269 /nfs/dbraw/zinc/11/62/69/178116269.db2.gz JCFHFZYGKVTNJD-SECBINFHSA-N 1 2 207.277 1.258 20 0 BDADLO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000120907268 398201153 /nfs/dbraw/zinc/20/11/53/398201153.db2.gz PDLKGYVKNBNNJD-UWVGGRQHSA-N 1 2 238.335 1.499 20 0 BDADLO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000120907268 398201155 /nfs/dbraw/zinc/20/11/55/398201155.db2.gz PDLKGYVKNBNNJD-UWVGGRQHSA-N 1 2 238.335 1.499 20 0 BDADLO CCc1nc(Nc2cnn(CCF)c2)cc(C)[nH+]1 ZINC000624537828 398201532 /nfs/dbraw/zinc/20/15/32/398201532.db2.gz SSBSUFFCKPKWPD-UHFFFAOYSA-N 1 2 249.293 1.679 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cccc2c[nH]nc21 ZINC000072847230 343982862 /nfs/dbraw/zinc/98/28/62/343982862.db2.gz LZQLJANGQXURLW-UHFFFAOYSA-N 1 2 241.254 1.398 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)n(C)n1 ZINC000293056658 178131672 /nfs/dbraw/zinc/13/16/72/178131672.db2.gz RXVXLSYCMYNRDD-WPRPVWTQSA-N 1 2 236.319 1.007 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)n(C)n1 ZINC000293056658 178131676 /nfs/dbraw/zinc/13/16/76/178131676.db2.gz RXVXLSYCMYNRDD-WPRPVWTQSA-N 1 2 236.319 1.007 20 0 BDADLO Cc1cc(NC(=O)N2CCCCO2)cc[nH+]1 ZINC000278640270 178136697 /nfs/dbraw/zinc/13/66/97/178136697.db2.gz VDNPSWATCVSILO-UHFFFAOYSA-N 1 2 221.260 1.949 20 0 BDADLO Cc1cc(NC(=O)NCCC(C)(C)O)cc[nH+]1 ZINC000274833081 178139923 /nfs/dbraw/zinc/13/99/23/178139923.db2.gz MVQSGAYYYFWHLO-UHFFFAOYSA-N 1 2 237.303 1.673 20 0 BDADLO Cc1cc(NC(=O)NN2CCCCC2)cc[nH+]1 ZINC000297747526 178141011 /nfs/dbraw/zinc/14/10/11/178141011.db2.gz LKHARHGVTLGKGX-UHFFFAOYSA-N 1 2 234.303 1.912 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH+]1 ZINC000119195521 178142334 /nfs/dbraw/zinc/14/23/34/178142334.db2.gz QDPXSQNSAWAOIN-UTUOFQBUSA-N 1 2 247.298 1.831 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000179826973 178142340 /nfs/dbraw/zinc/14/23/40/178142340.db2.gz AYYQZVQCABICEB-QWRGUYRKSA-N 1 2 235.287 1.425 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)[C@H](C)CO)cc[nH+]1 ZINC000271061969 178142759 /nfs/dbraw/zinc/14/27/59/178142759.db2.gz KVTHEMJHXHAKSW-PSASIEDQSA-N 1 2 237.303 1.528 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCC2)on1 ZINC000011048768 178144177 /nfs/dbraw/zinc/14/41/77/178144177.db2.gz VLTYSKDFECYQSU-SNVBAGLBSA-N 1 2 237.303 1.796 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)N2CCOCC2)cc[nH+]1 ZINC000169819742 178144394 /nfs/dbraw/zinc/14/43/94/178144394.db2.gz CJHCVIOQJRGOAS-LLVKDONJSA-N 1 2 249.314 1.049 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1snnc1C ZINC000576350171 365573836 /nfs/dbraw/zinc/57/38/36/365573836.db2.gz FZHHISFFSMZSLH-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1snnc1C ZINC000576350171 365573844 /nfs/dbraw/zinc/57/38/44/365573844.db2.gz FZHHISFFSMZSLH-VIFPVBQESA-N 1 2 227.333 1.457 20 0 BDADLO FC(F)O[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000649420052 398218737 /nfs/dbraw/zinc/21/87/37/398218737.db2.gz HNYUEJQNSZJWDU-ZETCQYMHSA-N 1 2 249.286 1.742 20 0 BDADLO FC(F)O[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000649420052 398218738 /nfs/dbraw/zinc/21/87/38/398218738.db2.gz HNYUEJQNSZJWDU-ZETCQYMHSA-N 1 2 249.286 1.742 20 0 BDADLO Cc1cc([NH2+]C(C)C)ccc1-n1cnnn1 ZINC000037104081 178152879 /nfs/dbraw/zinc/15/28/79/178152879.db2.gz LSNABTAXVYOKBJ-UHFFFAOYSA-N 1 2 217.276 1.791 20 0 BDADLO Cc1cc(NC[C@@H](CO)C(C)C)nc[nH+]1 ZINC000308990143 178164973 /nfs/dbraw/zinc/16/49/73/178164973.db2.gz KXRJZYXILXSLMD-JTQLQIEISA-N 1 2 209.293 1.461 20 0 BDADLO Cc1cccc2[nH+]c(CSCC(N)=O)cn21 ZINC000413013221 398211027 /nfs/dbraw/zinc/21/10/27/398211027.db2.gz AXIAQDYQIVGDIP-UHFFFAOYSA-N 1 2 235.312 1.361 20 0 BDADLO Cc1cc(NCCCCCCO)nc[nH+]1 ZINC000224483080 178157680 /nfs/dbraw/zinc/15/76/80/178157680.db2.gz QVSSLPCSRGJRIB-UHFFFAOYSA-N 1 2 209.293 1.750 20 0 BDADLO COCC1([NH2+]Cc2nn(C)c(C)c2Cl)CC1 ZINC000576385351 365581683 /nfs/dbraw/zinc/58/16/83/365581683.db2.gz DVCXLTDWSWLYFA-UHFFFAOYSA-N 1 2 243.738 1.651 20 0 BDADLO Cc1cc(NCCc2csc(=O)[nH]2)nc[nH+]1 ZINC000309730992 178163365 /nfs/dbraw/zinc/16/33/65/178163365.db2.gz ZXNTWMLLGNIMBK-UHFFFAOYSA-N 1 2 236.300 1.189 20 0 BDADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC000342432678 136223074 /nfs/dbraw/zinc/22/30/74/136223074.db2.gz SXTIUXKGPLTEJF-TVQRCGJNSA-N 1 2 244.298 1.427 20 0 BDADLO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccon1 ZINC000659947313 490107086 /nfs/dbraw/zinc/10/70/86/490107086.db2.gz MZKJNAIMIQOUTC-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccon1 ZINC000659947313 490107090 /nfs/dbraw/zinc/10/70/90/490107090.db2.gz MZKJNAIMIQOUTC-SECBINFHSA-N 1 2 232.230 1.531 20 0 BDADLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCCOCC2)n1 ZINC000364130223 178204166 /nfs/dbraw/zinc/20/41/66/178204166.db2.gz SBLHKFQSGJFXSH-SNVBAGLBSA-N 1 2 237.303 1.274 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000278467814 538934707 /nfs/dbraw/zinc/93/47/07/538934707.db2.gz WJDOEPRXHZYMNK-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO CC[C@@](C)(CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000278467814 538934709 /nfs/dbraw/zinc/93/47/09/538934709.db2.gz WJDOEPRXHZYMNK-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO CN(Cc1ccco1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276568381 538932897 /nfs/dbraw/zinc/93/28/97/538932897.db2.gz IBDNRBMKFJPMFO-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CN(Cc1ccco1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276568381 538932899 /nfs/dbraw/zinc/93/28/99/538932899.db2.gz IBDNRBMKFJPMFO-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO Cc1cccnc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276508481 538933332 /nfs/dbraw/zinc/93/33/32/538933332.db2.gz XNMLTFQBSAGAQZ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cccnc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276508481 538933333 /nfs/dbraw/zinc/93/33/33/538933333.db2.gz XNMLTFQBSAGAQZ-UHFFFAOYSA-N 1 2 244.298 1.362 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2ccnn2C)nn1C ZINC000337416687 178228539 /nfs/dbraw/zinc/22/85/39/178228539.db2.gz ZPGOSSUVQLTFJU-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)no1 ZINC000285462745 178228824 /nfs/dbraw/zinc/22/88/24/178228824.db2.gz ZZAFUGYDLORLPX-BDAKNGLRSA-N 1 2 243.282 1.108 20 0 BDADLO CC(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000277771683 538934175 /nfs/dbraw/zinc/93/41/75/538934175.db2.gz SWRKOCDOFIINOS-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CC(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000277771683 538934176 /nfs/dbraw/zinc/93/41/76/538934176.db2.gz SWRKOCDOFIINOS-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO CCC(CC)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368650712 168357088 /nfs/dbraw/zinc/35/70/88/168357088.db2.gz RBOXCKWIDAURDB-VIFPVBQESA-N 1 2 234.290 1.536 20 0 BDADLO Cc1cc(N2CCC(C)(O)CC2)c(C#N)c[nH+]1 ZINC000398973159 398231704 /nfs/dbraw/zinc/23/17/04/398231704.db2.gz XOPRYVFWSKKXFB-UHFFFAOYSA-N 1 2 231.299 1.613 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH+]c[nH]2)n(C)n1 ZINC000280221560 538936611 /nfs/dbraw/zinc/93/66/11/538936611.db2.gz RTUVDDFOUKODNN-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH]c[nH+]2)n(C)n1 ZINC000280221560 538936613 /nfs/dbraw/zinc/93/66/13/538936613.db2.gz RTUVDDFOUKODNN-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO Cc1nn(C)c(C)c1N[C@H](C)c1[nH]cc[nH+]1 ZINC000278976347 538935213 /nfs/dbraw/zinc/93/52/13/538935213.db2.gz PBXJMXBKNKZPQH-MRVPVSSYSA-N 1 2 219.292 1.933 20 0 BDADLO CN(CCC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000281381238 538938736 /nfs/dbraw/zinc/93/87/36/538938736.db2.gz YLCPTCXBACELRM-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CN(CCC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000281381238 538938739 /nfs/dbraw/zinc/93/87/39/538938739.db2.gz YLCPTCXBACELRM-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1 ZINC000076417437 398239463 /nfs/dbraw/zinc/23/94/63/398239463.db2.gz FQCQJGHYDAMRKQ-CYBMUJFWSA-N 1 2 248.326 1.276 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1 ZINC000076417437 398239465 /nfs/dbraw/zinc/23/94/65/398239465.db2.gz FQCQJGHYDAMRKQ-CYBMUJFWSA-N 1 2 248.326 1.276 20 0 BDADLO CCCC[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000066861692 361823066 /nfs/dbraw/zinc/82/30/66/361823066.db2.gz WGSGOSDWURKRDN-UHFFFAOYSA-N 1 2 245.330 1.894 20 0 BDADLO CCCC[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000066861692 361823073 /nfs/dbraw/zinc/82/30/73/361823073.db2.gz WGSGOSDWURKRDN-UHFFFAOYSA-N 1 2 245.330 1.894 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000645398439 398242160 /nfs/dbraw/zinc/24/21/60/398242160.db2.gz RCGSMNBEONTEHI-GMTAPVOTSA-N 1 2 247.346 1.268 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000645398439 398242161 /nfs/dbraw/zinc/24/21/61/398242161.db2.gz RCGSMNBEONTEHI-GMTAPVOTSA-N 1 2 247.346 1.268 20 0 BDADLO CC[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(N)=O ZINC000285636416 538941876 /nfs/dbraw/zinc/94/18/76/538941876.db2.gz KZSPQUGKOSMCJC-HZGVNTEJSA-N 1 2 243.257 1.274 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc[nH]c1C ZINC000175969594 365634701 /nfs/dbraw/zinc/63/47/01/365634701.db2.gz CJINMMRBWARNPG-UHFFFAOYSA-N 1 2 231.255 1.979 20 0 BDADLO COCCc1nc(C[NH2+]C2(C3CC3)CC2)no1 ZINC000576552296 365623414 /nfs/dbraw/zinc/62/34/14/365623414.db2.gz GFGLIOCGZRMJMB-UHFFFAOYSA-N 1 2 237.303 1.291 20 0 BDADLO CCc1cc(N[C@H](C)c2n[nH]c(C)n2)nc(C)[nH+]1 ZINC000286231120 538943825 /nfs/dbraw/zinc/94/38/25/538943825.db2.gz CJWFKJKOFGFDEH-SSDOTTSWSA-N 1 2 246.318 1.947 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1ccc(=O)[nH]c1 ZINC000602434357 349537898 /nfs/dbraw/zinc/53/78/98/349537898.db2.gz VSJSJOQRLDOKTK-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1ccc(=O)[nH]c1 ZINC000602434357 349537902 /nfs/dbraw/zinc/53/79/02/349537902.db2.gz VSJSJOQRLDOKTK-UHFFFAOYSA-N 1 2 238.287 1.172 20 0 BDADLO CC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000290607566 538946679 /nfs/dbraw/zinc/94/66/79/538946679.db2.gz JEMZVFZKDNOSLW-QMMMGPOBSA-N 1 2 210.281 1.018 20 0 BDADLO Cc1ccc(-c2noc([C@H]([NH3+])[C@@H](C)O)n2)cc1 ZINC000021519659 178343798 /nfs/dbraw/zinc/34/37/98/178343798.db2.gz BRZLGQPVMILWBE-PSASIEDQSA-N 1 2 233.271 1.426 20 0 BDADLO CCOc1cc(NCc2c[nH+]cn2C)ncn1 ZINC000291135185 538947368 /nfs/dbraw/zinc/94/73/68/538947368.db2.gz NLWHGPZQUYCJKY-UHFFFAOYSA-N 1 2 233.275 1.221 20 0 BDADLO C[C@@H]1CC=CC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291420618 538948057 /nfs/dbraw/zinc/94/80/57/538948057.db2.gz KNMCAVFHCAEHSY-ZYHUDNBSSA-N 1 2 233.315 1.639 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000175017567 538949636 /nfs/dbraw/zinc/94/96/36/538949636.db2.gz XSKILZTYVZWVBC-GFCCVEGCSA-N 1 2 246.289 1.731 20 0 BDADLO CC(F)(F)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000378766814 346829491 /nfs/dbraw/zinc/82/94/91/346829491.db2.gz YOTYANYAMDLWJO-UHFFFAOYSA-N 1 2 228.242 1.530 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCC[C@H]1OC ZINC000378776809 346830220 /nfs/dbraw/zinc/83/02/20/346830220.db2.gz HVLRIGQKEDQJLL-GMTAPVOTSA-N 1 2 229.320 1.485 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@H](CC)C1 ZINC000179663531 538955250 /nfs/dbraw/zinc/95/52/50/538955250.db2.gz JHRLJNZAUVNRSW-GFCCVEGCSA-N 1 2 237.347 1.593 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@H](CC)C1 ZINC000179663531 538955251 /nfs/dbraw/zinc/95/52/51/538955251.db2.gz JHRLJNZAUVNRSW-GFCCVEGCSA-N 1 2 237.347 1.593 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCOC)[C@@H](C)CC ZINC000053257493 346845314 /nfs/dbraw/zinc/84/53/14/346845314.db2.gz XXTKDIGFLOXATQ-UWVGGRQHSA-N 1 2 217.309 1.200 20 0 BDADLO Cn1cncc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334666299 398272904 /nfs/dbraw/zinc/27/29/04/398272904.db2.gz JCQGEWYHQSZBBI-UHFFFAOYSA-N 1 2 245.286 1.205 20 0 BDADLO Cc1c[nH]c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)[nH+]1 ZINC000600117432 342674140 /nfs/dbraw/zinc/67/41/40/342674140.db2.gz SXHUXYPRVNZEKO-LSYCYVAJSA-N 1 2 241.360 1.059 20 0 BDADLO CCc1cnc(C[NH2+]Cc2cc[nH]n2)s1 ZINC000164906427 361834145 /nfs/dbraw/zinc/83/41/45/361834145.db2.gz AMWOTELFOOEQIL-UHFFFAOYSA-N 1 2 222.317 1.718 20 0 BDADLO COC(=O)[C@@H](C)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600112433 342670941 /nfs/dbraw/zinc/67/09/41/342670941.db2.gz MBKHJRXWULFWNR-QMMMGPOBSA-N 1 2 239.319 1.267 20 0 BDADLO COC(=O)[C@H](C)CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600112430 342671059 /nfs/dbraw/zinc/67/10/59/342671059.db2.gz MBKHJRXWULFWNR-MRVPVSSYSA-N 1 2 239.319 1.267 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC000600146055 342690055 /nfs/dbraw/zinc/69/00/55/342690055.db2.gz UYHMJDICFJCSER-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@@H](C)C[S@](C)=O)o1 ZINC000600146055 342690056 /nfs/dbraw/zinc/69/00/56/342690056.db2.gz UYHMJDICFJCSER-AYVTZFPOSA-N 1 2 230.333 1.182 20 0 BDADLO COCc1nc(C[N@H+](C)CCC(C)C)no1 ZINC000182409832 538963370 /nfs/dbraw/zinc/96/33/70/538963370.db2.gz YLDQKIGLDWORNB-UHFFFAOYSA-N 1 2 227.308 1.694 20 0 BDADLO COCc1nc(C[N@@H+](C)CCC(C)C)no1 ZINC000182409832 538963371 /nfs/dbraw/zinc/96/33/71/538963371.db2.gz YLDQKIGLDWORNB-UHFFFAOYSA-N 1 2 227.308 1.694 20 0 BDADLO CO[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C1CC1 ZINC000583939909 342728983 /nfs/dbraw/zinc/72/89/83/342728983.db2.gz IOAQIPDQXILUNX-VIFPVBQESA-N 1 2 237.303 1.186 20 0 BDADLO c1c(C[NH+]2CCSCC2)nn2c1CCC2 ZINC000649488254 398283747 /nfs/dbraw/zinc/28/37/47/398283747.db2.gz IADVZXYPJBVXTG-UHFFFAOYSA-N 1 2 223.345 1.378 20 0 BDADLO Cc1[nH+]c2ccccn2c1Cn1cnccc1=O ZINC000348741383 136237330 /nfs/dbraw/zinc/23/73/30/136237330.db2.gz HXJQBIIWXQZFRW-UHFFFAOYSA-N 1 2 240.266 1.248 20 0 BDADLO COC[C@@H]1C[N@@H+]([C@H](C)c2ccncc2)CCO1 ZINC000607743113 342786978 /nfs/dbraw/zinc/78/69/78/342786978.db2.gz VPMPIASWPCNQFH-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@@H]1C[N@H+]([C@H](C)c2ccncc2)CCO1 ZINC000607743113 342786979 /nfs/dbraw/zinc/78/69/79/342786979.db2.gz VPMPIASWPCNQFH-YPMHNXCESA-N 1 2 236.315 1.490 20 0 BDADLO CC1(O)C[NH+](Cc2ccc3nccnc3c2)C1 ZINC000639254004 398285317 /nfs/dbraw/zinc/28/53/17/398285317.db2.gz WASLYLQPSJNSLJ-UHFFFAOYSA-N 1 2 229.283 1.196 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1C[C@@H](OC)C1 ZINC000624756684 342825457 /nfs/dbraw/zinc/82/54/57/342825457.db2.gz FYTBIIIYSHAPTQ-AOOOYVTPSA-N 1 2 237.303 1.052 20 0 BDADLO Cc1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc[nH+]1 ZINC000624674349 342817487 /nfs/dbraw/zinc/81/74/87/342817487.db2.gz YSKIVVQSRJOGPP-GHMZBOCLSA-N 1 2 219.288 1.764 20 0 BDADLO CCc1cc(NCc2ccc[nH]c2=O)nc[nH+]1 ZINC000624704746 342821771 /nfs/dbraw/zinc/82/17/71/342821771.db2.gz ZXWNORBKOYMSPW-UHFFFAOYSA-N 1 2 230.271 1.174 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H]1C[C@H](OC)C1 ZINC000624727969 342822945 /nfs/dbraw/zinc/82/29/45/342822945.db2.gz VFWRDVVRZGINPU-KYZUINATSA-N 1 2 223.276 1.383 20 0 BDADLO CCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000624735972 342824391 /nfs/dbraw/zinc/82/43/91/342824391.db2.gz DVZUCTUGJTUJGY-JTQLQIEISA-N 1 2 209.293 1.578 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2cncnc2)CCO1 ZINC000191151986 538991674 /nfs/dbraw/zinc/99/16/74/538991674.db2.gz ZQNXIRTXKFBZMA-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2cncnc2)CCO1 ZINC000191151986 538991675 /nfs/dbraw/zinc/99/16/75/538991675.db2.gz ZQNXIRTXKFBZMA-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO Cc1ncccc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000380836270 538993380 /nfs/dbraw/zinc/99/33/80/538993380.db2.gz ROQSXONQIBBFLJ-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ncccc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000380836270 538993381 /nfs/dbraw/zinc/99/33/81/538993381.db2.gz ROQSXONQIBBFLJ-JTQLQIEISA-N 1 2 218.300 1.801 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC(C)(C)O1 ZINC000649496610 398291144 /nfs/dbraw/zinc/29/11/44/398291144.db2.gz CXHWFCRFPVYZLH-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC(C)(C)O1 ZINC000649496610 398291146 /nfs/dbraw/zinc/29/11/46/398291146.db2.gz CXHWFCRFPVYZLH-NSHDSACASA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000189077013 538981021 /nfs/dbraw/zinc/98/10/21/538981021.db2.gz ZJXLRNLUVYZQHQ-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO CC[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000189077013 538981022 /nfs/dbraw/zinc/98/10/22/538981022.db2.gz ZJXLRNLUVYZQHQ-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000335623300 136240412 /nfs/dbraw/zinc/24/04/12/136240412.db2.gz YTQQXZMIDKZRSC-WCBMZHEXSA-N 1 2 239.344 1.401 20 0 BDADLO Cc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1O ZINC000189477945 538983224 /nfs/dbraw/zinc/98/32/24/538983224.db2.gz VZCNIXAHXRLMOV-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO Cc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1O ZINC000189477945 538983225 /nfs/dbraw/zinc/98/32/25/538983225.db2.gz VZCNIXAHXRLMOV-UHFFFAOYSA-N 1 2 245.282 1.995 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000189482382 538983405 /nfs/dbraw/zinc/98/34/05/538983405.db2.gz YLQDPOFBJIKDHD-VXGBXAGGSA-N 1 2 247.342 1.991 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000189482382 538983406 /nfs/dbraw/zinc/98/34/06/538983406.db2.gz YLQDPOFBJIKDHD-VXGBXAGGSA-N 1 2 247.342 1.991 20 0 BDADLO Cn1c[nH+]c(CNCc2ncccc2F)c1 ZINC000381638293 539005154 /nfs/dbraw/zinc/00/51/54/539005154.db2.gz YDCFPFJJFDXQBH-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO Cc1cncc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000193463400 539005989 /nfs/dbraw/zinc/00/59/89/539005989.db2.gz JBKPJJXEWVBNBM-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1cncc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000193463400 539005990 /nfs/dbraw/zinc/00/59/90/539005990.db2.gz JBKPJJXEWVBNBM-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1conc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000640724020 361961771 /nfs/dbraw/zinc/96/17/71/361961771.db2.gz BABGPNNBXAKOLU-VIFPVBQESA-N 1 2 248.286 1.833 20 0 BDADLO COCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000624942316 342838612 /nfs/dbraw/zinc/83/86/12/342838612.db2.gz AATFPJRYFYNTMN-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000335623299 136240543 /nfs/dbraw/zinc/24/05/43/136240543.db2.gz YTQQXZMIDKZRSC-SCZZXKLOSA-N 1 2 239.344 1.401 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccn(C)c1C ZINC000195156667 539009976 /nfs/dbraw/zinc/00/99/76/539009976.db2.gz KVYGBXPLHVVDCQ-UHFFFAOYSA-N 1 2 245.282 1.989 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)cs1 ZINC000381237890 538996835 /nfs/dbraw/zinc/99/68/35/538996835.db2.gz UQTWIZMVWBWDKA-UHFFFAOYSA-N 1 2 235.312 1.752 20 0 BDADLO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000390583102 539026264 /nfs/dbraw/zinc/02/62/64/539026264.db2.gz XKOSIAINNXCHLJ-CABZTGNLSA-N 1 2 221.304 1.247 20 0 BDADLO Cc1nnc([C@H](C)Nc2cc(C)[nH+]cn2)o1 ZINC000390655920 539027045 /nfs/dbraw/zinc/02/70/45/539027045.db2.gz QQJXWHLVACETNI-ZETCQYMHSA-N 1 2 219.248 1.650 20 0 BDADLO Cn1ncnc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000389333002 539015900 /nfs/dbraw/zinc/01/59/00/539015900.db2.gz RWDYVSVTZORZFS-SNVBAGLBSA-N 1 2 246.339 1.752 20 0 BDADLO Cn1ncnc1C[NH2+][C@H]1COCc2ccccc21 ZINC000389316328 539016016 /nfs/dbraw/zinc/01/60/16/539016016.db2.gz ZRHQWXQGCHQYEH-LBPRGKRZSA-N 1 2 244.298 1.176 20 0 BDADLO Cc1ccc(F)cc1C[NH2+]Cc1cn(C)nn1 ZINC000389801162 539017104 /nfs/dbraw/zinc/01/71/04/539017104.db2.gz AUIDUONREBDWGX-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO Cn1cc(C[NH2+][C@H]2CCCc3cccnc32)nn1 ZINC000389814182 539017339 /nfs/dbraw/zinc/01/73/39/539017339.db2.gz LSGVZXJDCJHRFC-LBPRGKRZSA-N 1 2 243.314 1.377 20 0 BDADLO Cc1ccc(F)c(C[NH2+]Cc2cn(C)nn2)c1 ZINC000389825990 539017648 /nfs/dbraw/zinc/01/76/48/539017648.db2.gz QSWSOIVLPSRTON-UHFFFAOYSA-N 1 2 234.278 1.552 20 0 BDADLO CCCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000640752937 361995128 /nfs/dbraw/zinc/99/51/28/361995128.db2.gz WUDMGQLMOPSXTC-LLVKDONJSA-N 1 2 224.308 1.129 20 0 BDADLO CCCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000640752938 361995698 /nfs/dbraw/zinc/99/56/98/361995698.db2.gz WUDMGQLMOPSXTC-NSHDSACASA-N 1 2 224.308 1.129 20 0 BDADLO Cc1cc(NC(=O)N(CCO)CC2CC2)cc[nH+]1 ZINC000348845393 136242239 /nfs/dbraw/zinc/24/22/39/136242239.db2.gz VKHMTDKJRVQOLB-UHFFFAOYSA-N 1 2 249.314 1.048 20 0 BDADLO C[C@H](O)[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000335647013 136243720 /nfs/dbraw/zinc/24/37/20/136243720.db2.gz PVXDRYKMQVWJLJ-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000335647013 136243721 /nfs/dbraw/zinc/24/37/21/136243721.db2.gz PVXDRYKMQVWJLJ-GXSJLCMTSA-N 1 2 227.329 1.330 20 0 BDADLO COCCc1nc(C[N@H+](C)[C@@H](C)C(C)C)no1 ZINC000351387355 136245581 /nfs/dbraw/zinc/24/55/81/136245581.db2.gz PUVYGIMGMUWCIH-JTQLQIEISA-N 1 2 241.335 1.735 20 0 BDADLO COCCc1nc(C[N@@H+](C)[C@@H](C)C(C)C)no1 ZINC000351387355 136245582 /nfs/dbraw/zinc/24/55/82/136245582.db2.gz PUVYGIMGMUWCIH-JTQLQIEISA-N 1 2 241.335 1.735 20 0 BDADLO CCC[N@H+](CCc1cn(C)nn1)CC(F)F ZINC000625131218 342884619 /nfs/dbraw/zinc/88/46/19/342884619.db2.gz NOYQQGXSFHXYKH-UHFFFAOYSA-N 1 2 232.278 1.335 20 0 BDADLO CCC[N@@H+](CCc1cn(C)nn1)CC(F)F ZINC000625131218 342884620 /nfs/dbraw/zinc/88/46/20/342884620.db2.gz NOYQQGXSFHXYKH-UHFFFAOYSA-N 1 2 232.278 1.335 20 0 BDADLO COC(=O)c1ccc(COCc2[nH]cc[nH+]2)o1 ZINC000123862175 398312696 /nfs/dbraw/zinc/31/26/96/398312696.db2.gz PCIRDVMJGSCBHZ-UHFFFAOYSA-N 1 2 236.227 1.506 20 0 BDADLO C[N@H+](CCOC1CCOCC1)Cc1ccon1 ZINC000625187049 342904783 /nfs/dbraw/zinc/90/47/83/342904783.db2.gz WUMXGSGQCDXUFC-UHFFFAOYSA-N 1 2 240.303 1.302 20 0 BDADLO C[N@@H+](CCOC1CCOCC1)Cc1ccon1 ZINC000625187049 342904784 /nfs/dbraw/zinc/90/47/84/342904784.db2.gz WUMXGSGQCDXUFC-UHFFFAOYSA-N 1 2 240.303 1.302 20 0 BDADLO CC[N@H+](CCCO)Cc1noc(C2CCC2)n1 ZINC000625197846 342908322 /nfs/dbraw/zinc/90/83/22/342908322.db2.gz MQXRICJASWFVAY-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO CC[N@@H+](CCCO)Cc1noc(C2CCC2)n1 ZINC000625197846 342908323 /nfs/dbraw/zinc/90/83/23/342908323.db2.gz MQXRICJASWFVAY-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000045784609 342923243 /nfs/dbraw/zinc/92/32/43/342923243.db2.gz DLJNOIAJXGSSBR-ZJUUUORDSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC(C)(C)C ZINC000045784609 342923244 /nfs/dbraw/zinc/92/32/44/342923244.db2.gz DLJNOIAJXGSSBR-ZJUUUORDSA-N 1 2 228.336 1.010 20 0 BDADLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259985 398325426 /nfs/dbraw/zinc/32/54/26/398325426.db2.gz YRAUUEBKVVSWAI-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259985 398325429 /nfs/dbraw/zinc/32/54/29/398325429.db2.gz YRAUUEBKVVSWAI-NWDGAFQWSA-N 1 2 242.338 1.821 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOCC(C)C)C(C)C ZINC000234563537 342930004 /nfs/dbraw/zinc/93/00/04/342930004.db2.gz GICYKZOALIAGNA-LLVKDONJSA-N 1 2 231.336 1.446 20 0 BDADLO Cn1ncc2ccc(C[NH2+]Cc3cocn3)cc21 ZINC000564658140 398326220 /nfs/dbraw/zinc/32/62/20/398326220.db2.gz BDSYYVRBOXBXCF-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000351628290 136249279 /nfs/dbraw/zinc/24/92/79/136249279.db2.gz JBHNDUJRRJQTQL-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000351628290 136249280 /nfs/dbraw/zinc/24/92/80/136249280.db2.gz JBHNDUJRRJQTQL-SCZZXKLOSA-N 1 2 242.344 1.033 20 0 BDADLO CC[C@@H]1C[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493543096 529443332 /nfs/dbraw/zinc/44/33/32/529443332.db2.gz ADDCTGHKFCHCBM-YIZUVKHSSA-N 1 2 249.314 1.497 20 0 BDADLO C/C=C/C[C@H]([NH2+][C@H](C)[C@H](C)OC)C(=O)OCC ZINC000602637264 349651194 /nfs/dbraw/zinc/65/11/94/349651194.db2.gz LFFQDEMHXQCQFG-CERKDAPNSA-N 1 2 243.347 1.897 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)on1 ZINC000351653164 136249347 /nfs/dbraw/zinc/24/93/47/136249347.db2.gz UNHRCSXNBWRZNB-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)on1 ZINC000351653164 136249348 /nfs/dbraw/zinc/24/93/48/136249348.db2.gz UNHRCSXNBWRZNB-AXFHLTTASA-N 1 2 224.304 1.981 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000602643382 349655226 /nfs/dbraw/zinc/65/52/26/349655226.db2.gz FTMHPUWVXQIRTP-ZYHUDNBSSA-N 1 2 248.326 1.480 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493306273 529452778 /nfs/dbraw/zinc/45/27/78/529452778.db2.gz RQSQBAQMTCKRKY-OKWQPMOJSA-N 1 2 219.288 1.585 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)on1 ZINC000351653167 136249051 /nfs/dbraw/zinc/24/90/51/136249051.db2.gz UNHRCSXNBWRZNB-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)on1 ZINC000351653167 136249052 /nfs/dbraw/zinc/24/90/52/136249052.db2.gz UNHRCSXNBWRZNB-HBNTYKKESA-N 1 2 224.304 1.981 20 0 BDADLO C[C@H](CNC(=O)C=C1CCC1)Cn1cc[nH+]c1 ZINC000119956774 398336675 /nfs/dbraw/zinc/33/66/75/398336675.db2.gz WJETXAHSIGRZLV-LLVKDONJSA-N 1 2 233.315 1.746 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)s1 ZINC000123427655 398338119 /nfs/dbraw/zinc/33/81/19/398338119.db2.gz QGYJJRVODXTASO-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)s1 ZINC000123427655 398338120 /nfs/dbraw/zinc/33/81/20/398338120.db2.gz QGYJJRVODXTASO-SECBINFHSA-N 1 2 224.329 1.377 20 0 BDADLO COCC1(COCc2[nH]cc[nH+]2)CCC1 ZINC000642912288 398333777 /nfs/dbraw/zinc/33/37/77/398333777.db2.gz BEIGOLVXTPIKGX-UHFFFAOYSA-N 1 2 210.277 1.743 20 0 BDADLO COc1c(N)[nH+]cnc1NCC1(OC)CCC1 ZINC000234786374 342942537 /nfs/dbraw/zinc/94/25/37/342942537.db2.gz FUBJXJWNRGDRTP-UHFFFAOYSA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1NCC1(OC)CCC1 ZINC000234786374 342942540 /nfs/dbraw/zinc/94/25/40/342942540.db2.gz FUBJXJWNRGDRTP-UHFFFAOYSA-N 1 2 238.291 1.048 20 0 BDADLO CC[C@H]([NH2+]CCc1cccc(F)c1)C(=O)OC ZINC000134930674 398341978 /nfs/dbraw/zinc/34/19/78/398341978.db2.gz PSOYJXPDQSXBRY-LBPRGKRZSA-N 1 2 239.290 1.909 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679107 349671473 /nfs/dbraw/zinc/67/14/73/349671473.db2.gz BITMERYSENEREN-WDEREUQCSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@@](C)(C[NH2+][C@@H](C)C(=O)OC(C)C)OC ZINC000602679332 349671691 /nfs/dbraw/zinc/67/16/91/349671691.db2.gz DEUGNYOFQSQQDM-JQWIXIFHSA-N 1 2 231.336 1.731 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)OC ZINC000300363771 398343963 /nfs/dbraw/zinc/34/39/63/398343963.db2.gz FSFYVVPTBAHWMM-AXFHLTTASA-N 1 2 227.304 1.095 20 0 BDADLO COc1ccc(-n2[nH]c3c(c2=O)C[NH2+]CC3)cc1 ZINC000634593046 342949563 /nfs/dbraw/zinc/94/95/63/342949563.db2.gz DOSKSUGCUXXAGW-LLVKDONJSA-N 1 2 245.282 1.007 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2ccccn2)n1 ZINC000162405112 349693633 /nfs/dbraw/zinc/69/36/33/349693633.db2.gz GUSALAKYBHYOJS-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2ccccn2)n1 ZINC000162405112 349693638 /nfs/dbraw/zinc/69/36/38/349693638.db2.gz GUSALAKYBHYOJS-UHFFFAOYSA-N 1 2 232.287 1.448 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2snnc2C)C[C@H](C)O1 ZINC000580316136 346900880 /nfs/dbraw/zinc/90/08/80/346900880.db2.gz WHCPEOCZFVOUCI-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H](C)O1 ZINC000580316136 346900883 /nfs/dbraw/zinc/90/08/83/346900883.db2.gz WHCPEOCZFVOUCI-WCBMZHEXSA-N 1 2 241.360 1.846 20 0 BDADLO COC1CC(N(C)Cc2[nH+]cc(C)n2C)C1 ZINC000348700044 536719624 /nfs/dbraw/zinc/71/96/24/536719624.db2.gz BPQBTCHWANMFRC-UHFFFAOYSA-N 1 2 223.320 1.338 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1CCO[C@@H](C)C1 ZINC000493259939 529551451 /nfs/dbraw/zinc/55/14/51/529551451.db2.gz QMVHXJQUBZKHCG-ZWNMCFTASA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000493522061 529554958 /nfs/dbraw/zinc/55/49/58/529554958.db2.gz LIFQMJATXIWEKB-ZJRFNNFUSA-N 1 2 249.314 1.210 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)NOCC(F)F ZINC000492601527 529555071 /nfs/dbraw/zinc/55/50/71/529555071.db2.gz DXDXESAZZLCODN-ONEGZZNKSA-N 1 2 245.229 1.229 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CC12CC2 ZINC000493163280 529555343 /nfs/dbraw/zinc/55/53/43/529555343.db2.gz UJAGPOHLPXVUTC-HMDXOVGESA-N 1 2 231.299 1.585 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CC12CC2 ZINC000493163279 529555802 /nfs/dbraw/zinc/55/58/02/529555802.db2.gz UJAGPOHLPXVUTC-FSIBCCDJSA-N 1 2 231.299 1.585 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000493091037 529556118 /nfs/dbraw/zinc/55/61/18/529556118.db2.gz KXXUENLQAJCXBI-MGTJIOQESA-N 1 2 245.326 1.831 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccccc1 ZINC000626182870 346908291 /nfs/dbraw/zinc/90/82/91/346908291.db2.gz CAJDYCWUUMZRNB-GFCCVEGCSA-N 1 2 249.314 1.139 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccccc1 ZINC000626182870 346908296 /nfs/dbraw/zinc/90/82/96/346908296.db2.gz CAJDYCWUUMZRNB-GFCCVEGCSA-N 1 2 249.314 1.139 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCO[C@H](C)C1 ZINC000493120619 529557583 /nfs/dbraw/zinc/55/75/83/529557583.db2.gz QMVHXJQUBZKHCG-DOGVGXBMSA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H](C)C1 ZINC000492280554 529557608 /nfs/dbraw/zinc/55/76/08/529557608.db2.gz XSIOZFFNPIASTO-WYGGZMRJSA-N 1 2 233.315 1.785 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N1CCO[C@@H](C)C1 ZINC000493259574 529557810 /nfs/dbraw/zinc/55/78/10/529557810.db2.gz QMVHXJQUBZKHCG-WYGGZMRJSA-N 1 2 249.314 1.164 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)CF ZINC000492739789 529558981 /nfs/dbraw/zinc/55/89/81/529558981.db2.gz SXQSQKZUHFDFEE-WAYWQWQTSA-N 1 2 239.294 1.781 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1CC12CC2 ZINC000493470452 529559669 /nfs/dbraw/zinc/55/96/69/529559669.db2.gz WCWUKSLCWNNHPA-DLRQAJBASA-N 1 2 245.326 1.833 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000351845790 136257360 /nfs/dbraw/zinc/25/73/60/136257360.db2.gz WFOKVQUKOMRPCC-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000351845790 136257361 /nfs/dbraw/zinc/25/73/61/136257361.db2.gz WFOKVQUKOMRPCC-STQMWFEESA-N 1 2 233.315 1.538 20 0 BDADLO Cc1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)s1 ZINC000235194731 342990203 /nfs/dbraw/zinc/99/02/03/342990203.db2.gz AUYYKSXOJJVYPO-ZCFIWIBFSA-N 1 2 236.300 1.666 20 0 BDADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H](O)CC ZINC000493594342 529572574 /nfs/dbraw/zinc/57/25/74/529572574.db2.gz HFLBWWYTVYIAQG-PVTPVBHGSA-N 1 2 237.303 1.089 20 0 BDADLO COc1ncccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000176456662 346911173 /nfs/dbraw/zinc/91/11/73/346911173.db2.gz NEJBYERLLUXPLV-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ncccc1C[N@H+]1CCOC(C)(C)C1 ZINC000176456662 346911175 /nfs/dbraw/zinc/91/11/75/346911175.db2.gz NEJBYERLLUXPLV-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOC(C)(C)C ZINC000076814125 342984414 /nfs/dbraw/zinc/98/44/14/342984414.db2.gz VQXDEMANOSUFHJ-GLKRBJQHSA-N 1 2 247.404 1.643 20 0 BDADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOC(C)(C)C ZINC000076814125 342984416 /nfs/dbraw/zinc/98/44/16/342984416.db2.gz VQXDEMANOSUFHJ-GLKRBJQHSA-N 1 2 247.404 1.643 20 0 BDADLO COC[C@H](CNc1[nH+]cccc1OC)OC ZINC000300370653 342986219 /nfs/dbraw/zinc/98/62/19/342986219.db2.gz LEHDUBGTULTDGE-VIFPVBQESA-N 1 2 226.276 1.164 20 0 BDADLO CC1CCC(n2[nH]c3c(c2=O)C[NH2+]CC3)CC1 ZINC000634599306 342987825 /nfs/dbraw/zinc/98/78/25/342987825.db2.gz FQTZQWXJRQVSRQ-VQXHTEKXSA-N 1 2 235.331 1.373 20 0 BDADLO CC[C@@](C)([NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)OC ZINC000602796621 349737728 /nfs/dbraw/zinc/73/77/28/349737728.db2.gz DMWPOTYLTQWCOH-GXFFZTMASA-N 1 2 243.347 1.733 20 0 BDADLO CC(C)[C@H](C)CC(=O)N1CCn2cc[nH+]c2C1 ZINC000335328983 534931730 /nfs/dbraw/zinc/93/17/30/534931730.db2.gz QSKJWNJDBMWLNV-LLVKDONJSA-N 1 2 235.331 1.908 20 0 BDADLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC000048462595 343010942 /nfs/dbraw/zinc/01/09/42/343010942.db2.gz MRRBRXBDZZQKFI-UHFFFAOYSA-N 1 2 243.310 1.816 20 0 BDADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000584330942 346915793 /nfs/dbraw/zinc/91/57/93/346915793.db2.gz LSNALIPQGVQODP-QMMMGPOBSA-N 1 2 249.270 1.640 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)CC(C)=O)cc1 ZINC000602785920 349749339 /nfs/dbraw/zinc/74/93/39/349749339.db2.gz SJMWPCHPXDNVDM-UHFFFAOYSA-N 1 2 235.283 1.494 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)CC(C)=O)cc1 ZINC000602785920 349749344 /nfs/dbraw/zinc/74/93/44/349749344.db2.gz SJMWPCHPXDNVDM-UHFFFAOYSA-N 1 2 235.283 1.494 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1CCc1cnccn1 ZINC000602810920 349754382 /nfs/dbraw/zinc/75/43/82/349754382.db2.gz IRVBODMVAUCICV-ZDUSSCGKSA-N 1 2 249.314 1.047 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1CCc1cnccn1 ZINC000602810920 349754385 /nfs/dbraw/zinc/75/43/85/349754385.db2.gz IRVBODMVAUCICV-ZDUSSCGKSA-N 1 2 249.314 1.047 20 0 BDADLO Cc1csc(C[NH2+]Cc2ccnn2C)n1 ZINC000038090985 343059672 /nfs/dbraw/zinc/05/96/72/343059672.db2.gz OYWVATZNTZVEJA-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C12CCC2)C(=O)OC ZINC000308384067 529662891 /nfs/dbraw/zinc/66/28/91/529662891.db2.gz YZDKNLKGJVINEI-AXFHLTTASA-N 1 2 241.331 1.485 20 0 BDADLO CNC(=O)CCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000576833653 365698744 /nfs/dbraw/zinc/69/87/44/365698744.db2.gz AOKYRLQEEGNVIS-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CNC(=O)CCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000576833653 365698746 /nfs/dbraw/zinc/69/87/46/365698746.db2.gz AOKYRLQEEGNVIS-SECBINFHSA-N 1 2 234.290 1.490 20 0 BDADLO CC[C@H](C)CONC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493422835 529669366 /nfs/dbraw/zinc/66/93/66/529669366.db2.gz MVRFFJMVUGLDDR-MOVJSRMASA-N 1 2 223.276 1.517 20 0 BDADLO CC(=O)NC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000067385300 362019677 /nfs/dbraw/zinc/01/96/77/362019677.db2.gz DTPSFGWJYBBPRK-GFCCVEGCSA-N 1 2 233.315 1.434 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@@H]1CCO[C@H]1C ZINC000634547524 362038487 /nfs/dbraw/zinc/03/84/87/362038487.db2.gz SRXWBTFXBRVFJV-IUCAKERBSA-N 1 2 247.302 1.293 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602889438 349795400 /nfs/dbraw/zinc/79/54/00/349795400.db2.gz WBUPKASSJPHJPZ-UHFFFAOYSA-N 1 2 249.314 1.072 20 0 BDADLO CCOC(=O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602889438 349795406 /nfs/dbraw/zinc/79/54/06/349795406.db2.gz WBUPKASSJPHJPZ-UHFFFAOYSA-N 1 2 249.314 1.072 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1csnn1 ZINC000398294859 343113761 /nfs/dbraw/zinc/11/37/61/343113761.db2.gz RDILMWMHQQCGBN-VIFPVBQESA-N 1 2 249.339 1.881 20 0 BDADLO CC[C@H](OC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421578709 192355725 /nfs/dbraw/zinc/35/57/25/192355725.db2.gz RNDUHWYYJDWVQU-LBPRGKRZSA-N 1 2 236.315 1.740 20 0 BDADLO CCc1cc(N[C@@H](CCO)CSC)nc[nH+]1 ZINC000309974503 343123305 /nfs/dbraw/zinc/12/33/05/343123305.db2.gz RTIYXLSHOZFAJS-JTQLQIEISA-N 1 2 241.360 1.565 20 0 BDADLO CC(C)(C)OCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000640995236 362107374 /nfs/dbraw/zinc/10/73/74/362107374.db2.gz IMLPHUDFVKLHTL-UHFFFAOYSA-N 1 2 249.318 1.338 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCCSC1 ZINC000122171488 343158969 /nfs/dbraw/zinc/15/89/69/343158969.db2.gz LXBXTRKTJGOOIL-ZETCQYMHSA-N 1 2 240.332 1.375 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCCSC1 ZINC000122171488 343158971 /nfs/dbraw/zinc/15/89/71/343158971.db2.gz LXBXTRKTJGOOIL-ZETCQYMHSA-N 1 2 240.332 1.375 20 0 BDADLO C[C@@H](NC(=O)C1CCCC1)c1[nH]cc[nH+]1 ZINC000125406964 343173553 /nfs/dbraw/zinc/17/35/53/343173553.db2.gz FNQQIVGTBPASJG-MRVPVSSYSA-N 1 2 207.277 1.777 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000625275935 343215632 /nfs/dbraw/zinc/21/56/32/343215632.db2.gz QZGGIYXVDXLMMQ-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1ncc[nH]1)C1CC1 ZINC000625275935 343215634 /nfs/dbraw/zinc/21/56/34/343215634.db2.gz QZGGIYXVDXLMMQ-NSHDSACASA-N 1 2 223.320 1.657 20 0 BDADLO Cc1nsc(N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000336767294 136276318 /nfs/dbraw/zinc/27/63/18/136276318.db2.gz SWSVIHIFCQCMKD-APPZFPTMSA-N 1 2 226.349 1.163 20 0 BDADLO Cc1nsc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)n1 ZINC000336767294 136276319 /nfs/dbraw/zinc/27/63/19/136276319.db2.gz SWSVIHIFCQCMKD-APPZFPTMSA-N 1 2 226.349 1.163 20 0 BDADLO Cn1cc(CC[N@@H+]2CCC[C@H]2C(F)F)nn1 ZINC000625278507 343218140 /nfs/dbraw/zinc/21/81/40/343218140.db2.gz WWRVXCFQRLEHFS-VIFPVBQESA-N 1 2 230.262 1.087 20 0 BDADLO Cn1cc(CC[N@H+]2CCC[C@H]2C(F)F)nn1 ZINC000625278507 343218141 /nfs/dbraw/zinc/21/81/41/343218141.db2.gz WWRVXCFQRLEHFS-VIFPVBQESA-N 1 2 230.262 1.087 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1cccc(C)n1 ZINC000134875461 343192003 /nfs/dbraw/zinc/19/20/03/343192003.db2.gz DWWSLHDCZMYRPI-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1cccc(C)n1 ZINC000134875461 343192005 /nfs/dbraw/zinc/19/20/05/343192005.db2.gz DWWSLHDCZMYRPI-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO C[N@H+](Cc1ncnn1CC(F)F)[C@@H]1CC1(C)C ZINC000489500738 259357306 /nfs/dbraw/zinc/35/73/06/259357306.db2.gz OJHJEGYMWJAWKO-MRVPVSSYSA-N 1 2 244.289 1.774 20 0 BDADLO C[N@@H+](Cc1ncnn1CC(F)F)[C@@H]1CC1(C)C ZINC000489500738 259357307 /nfs/dbraw/zinc/35/73/07/259357307.db2.gz OJHJEGYMWJAWKO-MRVPVSSYSA-N 1 2 244.289 1.774 20 0 BDADLO C[C@@H]1CCCCN1C(=O)NCc1c[nH+]c[nH]1 ZINC000625301823 343227488 /nfs/dbraw/zinc/22/74/88/343227488.db2.gz YKLVLJUVPGTSMT-SECBINFHSA-N 1 2 222.292 1.494 20 0 BDADLO C[C@@H]1CCCCN1C(=O)NCc1c[nH]c[nH+]1 ZINC000625301823 343227491 /nfs/dbraw/zinc/22/74/91/343227491.db2.gz YKLVLJUVPGTSMT-SECBINFHSA-N 1 2 222.292 1.494 20 0 BDADLO CCO[C@@H](C[NH2+][C@@H](C)c1ncn(C)n1)C1CC1 ZINC000625359003 343248573 /nfs/dbraw/zinc/24/85/73/343248573.db2.gz XVKSWGYFZCYKBQ-ONGXEEELSA-N 1 2 238.335 1.281 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)C(F)F ZINC000641022259 362138287 /nfs/dbraw/zinc/13/82/87/362138287.db2.gz AGHYOOOBMIYDBL-SFYZADRCSA-N 1 2 246.261 1.224 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121463095 343266920 /nfs/dbraw/zinc/26/69/20/343266920.db2.gz YOVNZXHXUPLOPD-DGCLKSJQSA-N 1 2 235.331 1.515 20 0 BDADLO CC1(C)CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188494958 343270330 /nfs/dbraw/zinc/27/03/30/343270330.db2.gz SUUFQRFKZYIQEG-UHFFFAOYSA-N 1 2 248.330 1.070 20 0 BDADLO CC(C)(C)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036524 362148766 /nfs/dbraw/zinc/14/87/66/362148766.db2.gz PUZPEFZDFOGYLJ-UHFFFAOYSA-N 1 2 205.265 1.347 20 0 BDADLO C/C=C/c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037598 362149974 /nfs/dbraw/zinc/14/99/74/362149974.db2.gz BFPAGRIJDMBEIU-ONEGZZNKSA-N 1 2 203.249 1.093 20 0 BDADLO O=C(C[NH2+]Cc1c(F)cccc1F)NC1CC1 ZINC000035247198 343291095 /nfs/dbraw/zinc/29/10/95/343291095.db2.gz CSDWMLDWTJMLTF-UHFFFAOYSA-N 1 2 240.253 1.333 20 0 BDADLO C[C@H]([NH2+]Cc1ccco1)c1nccn1C ZINC000070007160 343296074 /nfs/dbraw/zinc/29/60/74/343296074.db2.gz MZPGSHBLYIEMEX-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO CSCC[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000347861044 136293306 /nfs/dbraw/zinc/29/33/06/136293306.db2.gz SOHDQXYTFAJOLI-UHFFFAOYSA-N 1 2 228.365 1.654 20 0 BDADLO CSCC[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000347861044 136293307 /nfs/dbraw/zinc/29/33/07/136293307.db2.gz SOHDQXYTFAJOLI-UHFFFAOYSA-N 1 2 228.365 1.654 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(C2(F)COC2)nn1 ZINC000641053131 362162963 /nfs/dbraw/zinc/16/29/63/362162963.db2.gz ZAJAKBSRNOAQTE-UHFFFAOYSA-N 1 2 248.261 1.225 20 0 BDADLO COC(=O)[C@@](C)([NH2+]CCC1(O)CCC1)C1CC1 ZINC000569809508 323041462 /nfs/dbraw/zinc/04/14/62/323041462.db2.gz VCIOFXONICXSSI-LBPRGKRZSA-N 1 2 241.331 1.223 20 0 BDADLO CCOc1cccc(C[NH2+]Cc2nncn2C)c1 ZINC000037996970 343364615 /nfs/dbraw/zinc/36/46/15/343364615.db2.gz VOKCOWVEYFSQEF-UHFFFAOYSA-N 1 2 246.314 1.504 20 0 BDADLO Cc1cc(NC(=O)CC2(O)CCC2)cc[nH+]1 ZINC000335652402 136305434 /nfs/dbraw/zinc/30/54/34/136305434.db2.gz AIXFNQDCXVDIQC-UHFFFAOYSA-N 1 2 220.272 1.056 20 0 BDADLO C[NH+]1CCC(Nc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000037267837 343342216 /nfs/dbraw/zinc/34/22/16/343342216.db2.gz HGEMMJNODVOOKZ-UHFFFAOYSA-N 1 2 235.287 1.286 20 0 BDADLO COCC[N@H+](C)Cc1cn(CCC2CC2)nn1 ZINC000641065299 362171262 /nfs/dbraw/zinc/17/12/62/362171262.db2.gz BPJSHCVVZMYAHG-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO COCC[N@@H+](C)Cc1cn(CCC2CC2)nn1 ZINC000641065299 362171269 /nfs/dbraw/zinc/17/12/69/362171269.db2.gz BPJSHCVVZMYAHG-UHFFFAOYSA-N 1 2 238.335 1.156 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000335675102 136318430 /nfs/dbraw/zinc/31/84/30/136318430.db2.gz IQVDKMLEEZHFHH-UHFFFAOYSA-N 1 2 245.273 1.310 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000335675102 136318431 /nfs/dbraw/zinc/31/84/31/136318431.db2.gz IQVDKMLEEZHFHH-UHFFFAOYSA-N 1 2 245.273 1.310 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[C@@H]1F ZINC000335653198 136305585 /nfs/dbraw/zinc/30/55/85/136305585.db2.gz XKAJWTIEXVKLGN-WCBMZHEXSA-N 1 2 211.240 1.082 20 0 BDADLO CCOCc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641071035 362181150 /nfs/dbraw/zinc/18/11/50/362181150.db2.gz UXGQVIZLZWEGNX-UHFFFAOYSA-N 1 2 232.287 1.566 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@]23CCOC3)o1 ZINC000367063770 136308716 /nfs/dbraw/zinc/30/87/16/136308716.db2.gz ZINUBAXEVDOMHS-LBPRGKRZSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@]23CCOC3)o1 ZINC000367063770 136308717 /nfs/dbraw/zinc/30/87/17/136308717.db2.gz ZINUBAXEVDOMHS-LBPRGKRZSA-N 1 2 237.303 1.387 20 0 BDADLO CC1(C)COC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000580036728 343398424 /nfs/dbraw/zinc/39/84/24/343398424.db2.gz DKEAKRDXEDKAIX-SECBINFHSA-N 1 2 237.303 1.462 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC(F)C1 ZINC000335679959 136319733 /nfs/dbraw/zinc/31/97/33/136319733.db2.gz HKIFOWFSKAUFMJ-UHFFFAOYSA-N 1 2 247.273 1.525 20 0 BDADLO c1snnc1C[NH+]1CC(C2CCC2)C1 ZINC000335735856 136350175 /nfs/dbraw/zinc/35/01/75/136350175.db2.gz AXSOBMZGHHIQGI-UHFFFAOYSA-N 1 2 209.318 1.770 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000335737116 136350647 /nfs/dbraw/zinc/35/06/47/136350647.db2.gz UJSKFTHXAQUERE-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO Cc1cnc(C[N@H+]2CCOCC3(CC3)C2)o1 ZINC000335737116 136350648 /nfs/dbraw/zinc/35/06/48/136350648.db2.gz UJSKFTHXAQUERE-UHFFFAOYSA-N 1 2 222.288 1.595 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccon1 ZINC000349201290 136331516 /nfs/dbraw/zinc/33/15/16/136331516.db2.gz NSGJUDYWKZOTSE-SECBINFHSA-N 1 2 249.270 1.235 20 0 BDADLO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1ccon1 ZINC000349253765 136332928 /nfs/dbraw/zinc/33/29/28/136332928.db2.gz XIQXAUGZHFKQEX-SNVBAGLBSA-N 1 2 237.303 1.338 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC12CCCC2 ZINC000335712630 136337711 /nfs/dbraw/zinc/33/77/11/136337711.db2.gz DLUOHQLPFMPQOY-SNVBAGLBSA-N 1 2 233.315 1.617 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc2n1CCCC2 ZINC000335713555 136338398 /nfs/dbraw/zinc/33/83/98/136338398.db2.gz LFMADFJQHLGAAF-NXEZZACHSA-N 1 2 220.320 1.597 20 0 BDADLO CC[C@H](O)[C@H](CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493594337 529710183 /nfs/dbraw/zinc/71/01/83/529710183.db2.gz HFLBWWYTVYIAQG-OBOPVNRVSA-N 1 2 237.303 1.089 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000335715901 136339046 /nfs/dbraw/zinc/33/90/46/136339046.db2.gz KPVBXGZNLHVZRV-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000335715901 136339047 /nfs/dbraw/zinc/33/90/47/136339047.db2.gz KPVBXGZNLHVZRV-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cnccn1 ZINC000349310531 136340919 /nfs/dbraw/zinc/34/09/19/136340919.db2.gz HLQMIFYYDWTQEE-BXKDBHETSA-N 1 2 249.339 1.922 20 0 BDADLO COC[C@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000042525636 343441870 /nfs/dbraw/zinc/44/18/70/343441870.db2.gz DQIDJNPQFKCUQV-SECBINFHSA-N 1 2 235.287 1.006 20 0 BDADLO CC[C@@H](O)CCCNc1cc[nH+]c(C)n1 ZINC000308908127 346939770 /nfs/dbraw/zinc/93/97/70/346939770.db2.gz CZRPPMNBPXRXKH-SNVBAGLBSA-N 1 2 209.293 1.748 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(N)=O)CCO2 ZINC000335897048 136359049 /nfs/dbraw/zinc/35/90/49/136359049.db2.gz QKVRTCZUHASXNH-UHFFFAOYSA-N 1 2 220.272 1.725 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(N)=O)CCO2 ZINC000335897048 136359050 /nfs/dbraw/zinc/35/90/50/136359050.db2.gz QKVRTCZUHASXNH-UHFFFAOYSA-N 1 2 220.272 1.725 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2ccccn2)cn1 ZINC000350464880 136361134 /nfs/dbraw/zinc/36/11/34/136361134.db2.gz YJBJPCLVQKKOQY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2ccccn2)cn1 ZINC000350464880 136361135 /nfs/dbraw/zinc/36/11/35/136361135.db2.gz YJBJPCLVQKKOQY-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CCCCO)[nH+]1 ZINC000350669910 136362581 /nfs/dbraw/zinc/36/25/81/136362581.db2.gz OKJQEOLXOMTCGT-UHFFFAOYSA-N 1 2 234.303 1.475 20 0 BDADLO C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccon1 ZINC000351579408 136369300 /nfs/dbraw/zinc/36/93/00/136369300.db2.gz IVBTWGBWQFRUJY-SECBINFHSA-N 1 2 247.302 1.381 20 0 BDADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccon2)[nH]1 ZINC000351580779 136369555 /nfs/dbraw/zinc/36/95/55/136369555.db2.gz LXNZLYCQHBDORA-QMMMGPOBSA-N 1 2 249.270 1.640 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccoc1 ZINC000130222594 136372633 /nfs/dbraw/zinc/37/26/33/136372633.db2.gz PUPANCVEBAOTBE-UHFFFAOYSA-N 1 2 247.298 1.567 20 0 BDADLO Cc1nc(C[NH2+][C@@H]2CCCn3nccc32)[nH]c1C ZINC000631298668 343474483 /nfs/dbraw/zinc/47/44/83/343474483.db2.gz NHFAKOPSFJGFDW-LLVKDONJSA-N 1 2 245.330 1.848 20 0 BDADLO Cc1[nH]c(CN[C@@H]2CCCn3nccc32)[nH+]c1C ZINC000631298668 343474485 /nfs/dbraw/zinc/47/44/85/343474485.db2.gz NHFAKOPSFJGFDW-LLVKDONJSA-N 1 2 245.330 1.848 20 0 BDADLO CC[N@H+](Cc1nc(C)c(C)[nH]1)[C@H]1CCOC1 ZINC000628289704 346941863 /nfs/dbraw/zinc/94/18/63/346941863.db2.gz OGJMKJGUEUYJRV-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CC[N@@H+](Cc1nc(C)c(C)[nH]1)[C@H]1CCOC1 ZINC000628289704 346941864 /nfs/dbraw/zinc/94/18/64/346941864.db2.gz OGJMKJGUEUYJRV-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H]1CCOC1 ZINC000628289704 346941865 /nfs/dbraw/zinc/94/18/65/346941865.db2.gz OGJMKJGUEUYJRV-NSHDSACASA-N 1 2 223.320 1.637 20 0 BDADLO COC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000043643348 343479628 /nfs/dbraw/zinc/47/96/28/343479628.db2.gz YMGCEAGJBLSLKN-UHFFFAOYSA-N 1 2 219.284 1.824 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000043643348 343479629 /nfs/dbraw/zinc/47/96/29/343479629.db2.gz YMGCEAGJBLSLKN-UHFFFAOYSA-N 1 2 219.284 1.824 20 0 BDADLO CSC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000602920907 349811144 /nfs/dbraw/zinc/81/11/44/349811144.db2.gz FVMIULGTXGEQTF-UHFFFAOYSA-N 1 2 227.333 1.705 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421559816 192361999 /nfs/dbraw/zinc/36/19/99/192361999.db2.gz QGERJHBXSQICKL-GMTAPVOTSA-N 1 2 233.315 1.473 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@](C)(COC)C2)no1 ZINC000487034646 529737065 /nfs/dbraw/zinc/73/70/65/529737065.db2.gz IBZGOPOLSFBHBH-LBPRGKRZSA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@](C)(COC)C2)no1 ZINC000487034646 529737066 /nfs/dbraw/zinc/73/70/66/529737066.db2.gz IBZGOPOLSFBHBH-LBPRGKRZSA-N 1 2 239.319 1.490 20 0 BDADLO CCOCC[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000119001612 343593361 /nfs/dbraw/zinc/59/33/61/343593361.db2.gz OVHVRYMZBMUGGG-SECBINFHSA-N 1 2 217.309 1.200 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncnc2nc[nH]c21 ZINC000049236005 343594243 /nfs/dbraw/zinc/59/42/43/343594243.db2.gz AACKOEPDXUYTLB-MRVPVSSYSA-N 1 2 243.274 1.050 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)Nc1ncnc2[nH]cnc21 ZINC000049236005 343594245 /nfs/dbraw/zinc/59/42/45/343594245.db2.gz AACKOEPDXUYTLB-MRVPVSSYSA-N 1 2 243.274 1.050 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(F)cn1 ZINC000049235909 343594283 /nfs/dbraw/zinc/59/42/83/343594283.db2.gz ARYDUEBOCWXVDB-VIFPVBQESA-N 1 2 220.251 1.918 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1cccnc1 ZINC000070980537 343581213 /nfs/dbraw/zinc/58/12/13/343581213.db2.gz RFDXWXTWSKDVCU-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO C[C@@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)[C@H](C)O1 ZINC000384555072 343617024 /nfs/dbraw/zinc/61/70/24/343617024.db2.gz GUKWGMWNGRIZPK-VQVTYTSYSA-N 1 2 242.710 1.690 20 0 BDADLO C[C@@H]1C[C@H](Nc2[nH+]cnc(N)c2Cl)[C@H](C)O1 ZINC000384555072 343617026 /nfs/dbraw/zinc/61/70/26/343617026.db2.gz GUKWGMWNGRIZPK-VQVTYTSYSA-N 1 2 242.710 1.690 20 0 BDADLO Cc1[nH+]cccc1NCc1cn(C)nn1 ZINC000085712308 343604432 /nfs/dbraw/zinc/60/44/32/343604432.db2.gz FINGACGFCGTDBX-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO CCC(CC)C[N@@H+]1CCOC[C@@H]1c1ncno1 ZINC000625414832 343605547 /nfs/dbraw/zinc/60/55/47/343605547.db2.gz OHFPYQWAFKTJEW-LLVKDONJSA-N 1 2 239.319 1.879 20 0 BDADLO CCC(CC)C[N@H+]1CCOC[C@@H]1c1ncno1 ZINC000625414832 343605548 /nfs/dbraw/zinc/60/55/48/343605548.db2.gz OHFPYQWAFKTJEW-LLVKDONJSA-N 1 2 239.319 1.879 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1c(O)cccc1F ZINC000622745512 343605973 /nfs/dbraw/zinc/60/59/73/343605973.db2.gz MZGICZHTGPYEMG-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1c(O)cccc1F ZINC000622745512 343605974 /nfs/dbraw/zinc/60/59/74/343605974.db2.gz MZGICZHTGPYEMG-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO Cc1ccccc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000622745884 343606097 /nfs/dbraw/zinc/60/60/97/343606097.db2.gz YTXGODOZFQSFDQ-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO Cc1ccccc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000622745884 343606099 /nfs/dbraw/zinc/60/60/99/343606099.db2.gz YTXGODOZFQSFDQ-UHFFFAOYSA-N 1 2 229.283 1.990 20 0 BDADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C)o1 ZINC000247941452 178554516 /nfs/dbraw/zinc/55/45/16/178554516.db2.gz ADOISTKCMMVOHS-SNVBAGLBSA-N 1 2 224.304 1.497 20 0 BDADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C)o1 ZINC000247941452 178554517 /nfs/dbraw/zinc/55/45/17/178554517.db2.gz ADOISTKCMMVOHS-SNVBAGLBSA-N 1 2 224.304 1.497 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)CCn1cc[nH+]c1 ZINC000620077980 343638825 /nfs/dbraw/zinc/63/88/25/343638825.db2.gz GPNNJPGDNFEHNN-GFCCVEGCSA-N 1 2 221.304 1.578 20 0 BDADLO OCCCSCCNc1cc[nH+]cc1F ZINC000379999654 343666365 /nfs/dbraw/zinc/66/63/65/343666365.db2.gz LXGMHZXCHVYXNB-UHFFFAOYSA-N 1 2 230.308 1.170 20 0 BDADLO CCc1nnc(C[N@H+](CCOC)C2CC2)o1 ZINC000048023372 343701542 /nfs/dbraw/zinc/70/15/42/343701542.db2.gz ULDJZTYXKAUKEI-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO CCc1nnc(C[N@@H+](CCOC)C2CC2)o1 ZINC000048023372 343701544 /nfs/dbraw/zinc/70/15/44/343701544.db2.gz ULDJZTYXKAUKEI-UHFFFAOYSA-N 1 2 225.292 1.243 20 0 BDADLO C[C@H](C(=O)NCC(C)(F)F)[NH+]1CC(C)C1 ZINC000582131383 346955336 /nfs/dbraw/zinc/95/53/36/346955336.db2.gz GJGQEEPSCWFENU-MRVPVSSYSA-N 1 2 220.263 1.098 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCOc1cccc(F)c1 ZINC000048071264 343708021 /nfs/dbraw/zinc/70/80/21/343708021.db2.gz NIPHETCBBYNCNO-LLVKDONJSA-N 1 2 239.290 1.925 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCOc1cccc(F)c1 ZINC000048071264 343708022 /nfs/dbraw/zinc/70/80/22/343708022.db2.gz NIPHETCBBYNCNO-LLVKDONJSA-N 1 2 239.290 1.925 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431885 343733175 /nfs/dbraw/zinc/73/31/75/343733175.db2.gz KGLXAOWOJTYLHA-UTLUCORTSA-N 1 2 236.319 1.346 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000625431885 343733176 /nfs/dbraw/zinc/73/31/76/343733176.db2.gz KGLXAOWOJTYLHA-UTLUCORTSA-N 1 2 236.319 1.346 20 0 BDADLO Cc1nc(CN2CCc3[nH+]c[nH]c3C2)co1 ZINC000625435755 343733384 /nfs/dbraw/zinc/73/33/84/343733384.db2.gz VFJDAUVVWQZNPH-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO COc1ccc(CN2CCc3[nH+]c[nH]c3C2)nc1 ZINC000625436493 343733538 /nfs/dbraw/zinc/73/35/38/343733538.db2.gz IGDNHUOQKKPCMC-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO CCc1nc(C)c(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000625434832 343736113 /nfs/dbraw/zinc/73/61/13/343736113.db2.gz HSITXBLIXPJTSQ-UHFFFAOYSA-N 1 2 246.314 1.827 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1COCC1(C)C ZINC000312990177 343710619 /nfs/dbraw/zinc/71/06/19/343710619.db2.gz QKJQJEZUDICQOB-WDEREUQCSA-N 1 2 243.347 1.589 20 0 BDADLO CCn1ncc(C(=O)Nc2cc[nH+]cc2C)c1C ZINC000631140522 343744753 /nfs/dbraw/zinc/74/47/53/343744753.db2.gz OKHMMXQFHTXOSE-UHFFFAOYSA-N 1 2 244.298 1.589 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCCOCC2)n1 ZINC000336648860 537819085 /nfs/dbraw/zinc/81/90/85/537819085.db2.gz PWRMLLKHTYPPRO-UHFFFAOYSA-N 1 2 207.277 1.007 20 0 BDADLO Cc1ccnc(C[N@H+]2CCCOCC2)n1 ZINC000336648860 537819095 /nfs/dbraw/zinc/81/90/95/537819095.db2.gz PWRMLLKHTYPPRO-UHFFFAOYSA-N 1 2 207.277 1.007 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334394999 534954276 /nfs/dbraw/zinc/95/42/76/534954276.db2.gz JTSILTDPGZZAIS-RYUDHWBXSA-N 1 2 249.358 1.948 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](O)[C@H]2C)s1 ZINC000625462238 343865734 /nfs/dbraw/zinc/86/57/34/343865734.db2.gz NHOWPQSFZQKVHO-HTQZYQBOSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](O)[C@H]2C)s1 ZINC000625462238 343865736 /nfs/dbraw/zinc/86/57/36/343865736.db2.gz NHOWPQSFZQKVHO-HTQZYQBOSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1cccc(OC[C@H](O)Cn2cc[nH+]c2)c1 ZINC000068045735 343910621 /nfs/dbraw/zinc/91/06/21/343910621.db2.gz VDMYCHOWRZLIAV-CYBMUJFWSA-N 1 2 246.310 1.885 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CSC[C@H]1C ZINC000672222135 488246069 /nfs/dbraw/zinc/24/60/69/488246069.db2.gz AQKOJDFBALUTLU-GMSGAONNSA-N 1 2 239.344 1.128 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CSC[C@H]1C ZINC000672222135 488246072 /nfs/dbraw/zinc/24/60/72/488246072.db2.gz AQKOJDFBALUTLU-GMSGAONNSA-N 1 2 239.344 1.128 20 0 BDADLO CCO[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000625514979 343914715 /nfs/dbraw/zinc/91/47/15/343914715.db2.gz VWMZZRRMMZSWEK-GFCCVEGCSA-N 1 2 236.315 1.812 20 0 BDADLO CCC[C@]1(C)CCCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631140692 343916533 /nfs/dbraw/zinc/91/65/33/343916533.db2.gz CRVNVVZTMSRYDQ-CYBMUJFWSA-N 1 2 249.362 1.999 20 0 BDADLO CCC[C@]1(C)CCCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631140692 343916535 /nfs/dbraw/zinc/91/65/35/343916535.db2.gz CRVNVVZTMSRYDQ-CYBMUJFWSA-N 1 2 249.362 1.999 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC(C)(C)C1 ZINC000683939038 488248313 /nfs/dbraw/zinc/24/83/13/488248313.db2.gz CRWNJEARDAMWPB-UHFFFAOYSA-N 1 2 217.276 1.210 20 0 BDADLO CC(C)[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641188495 362263090 /nfs/dbraw/zinc/26/30/90/362263090.db2.gz QCXCRLNPSMEXFE-SNVBAGLBSA-N 1 2 219.292 1.740 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625724925 344057183 /nfs/dbraw/zinc/05/71/83/344057183.db2.gz PVVZLMBEOGEHSU-VIFPVBQESA-N 1 2 234.299 1.185 20 0 BDADLO C[C@@H](C(=O)N(C)C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625724925 344057184 /nfs/dbraw/zinc/05/71/84/344057184.db2.gz PVVZLMBEOGEHSU-VIFPVBQESA-N 1 2 234.299 1.185 20 0 BDADLO Cc1c(C[N@@H+]2Cc3ccc(O)cc3C2)cnn1C ZINC000625726684 344057904 /nfs/dbraw/zinc/05/79/04/344057904.db2.gz KAMPWXWEVVNSQJ-UHFFFAOYSA-N 1 2 243.310 1.950 20 0 BDADLO Cc1c(C[N@H+]2Cc3ccc(O)cc3C2)cnn1C ZINC000625726684 344057906 /nfs/dbraw/zinc/05/79/06/344057906.db2.gz KAMPWXWEVVNSQJ-UHFFFAOYSA-N 1 2 243.310 1.950 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)C(F)(F)F ZINC000625743566 344062343 /nfs/dbraw/zinc/06/23/43/344062343.db2.gz YVWJHMYELKSYPY-LURJTMIESA-N 1 2 235.209 1.614 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)C(F)(F)F ZINC000625743566 344062344 /nfs/dbraw/zinc/06/23/44/344062344.db2.gz YVWJHMYELKSYPY-LURJTMIESA-N 1 2 235.209 1.614 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCc1c[nH+]c[nH]1 ZINC000625743434 344062389 /nfs/dbraw/zinc/06/23/89/344062389.db2.gz XHOQDPJXNVIZGJ-SNVBAGLBSA-N 1 2 225.292 1.231 20 0 BDADLO CCC[C@@H](OCC)C(=O)NCc1c[nH]c[nH+]1 ZINC000625743434 344062391 /nfs/dbraw/zinc/06/23/91/344062391.db2.gz XHOQDPJXNVIZGJ-SNVBAGLBSA-N 1 2 225.292 1.231 20 0 BDADLO C[C@H](c1nnnn1C)[N@@H+]1CCCC(F)(F)CC1 ZINC000625770644 344066115 /nfs/dbraw/zinc/06/61/15/344066115.db2.gz MXJJQSIAMQCYGG-MRVPVSSYSA-N 1 2 245.277 1.392 20 0 BDADLO C[C@H](c1nnnn1C)[N@H+]1CCCC(F)(F)CC1 ZINC000625770644 344066119 /nfs/dbraw/zinc/06/61/19/344066119.db2.gz MXJJQSIAMQCYGG-MRVPVSSYSA-N 1 2 245.277 1.392 20 0 BDADLO Cc1cncnc1NCCNc1cccc[nH+]1 ZINC000641263153 362337473 /nfs/dbraw/zinc/33/74/73/362337473.db2.gz ODWOBUGDANHDTK-UHFFFAOYSA-N 1 2 229.287 1.126 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccc(Cl)cn1 ZINC000624619806 344105965 /nfs/dbraw/zinc/10/59/65/344105965.db2.gz MSSRMEBYQHUQNR-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccc(Cl)cn1 ZINC000624619806 344105967 /nfs/dbraw/zinc/10/59/67/344105967.db2.gz MSSRMEBYQHUQNR-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068481522 362339874 /nfs/dbraw/zinc/33/98/74/362339874.db2.gz QSHQNLZOTNCGFZ-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068481522 362339878 /nfs/dbraw/zinc/33/98/78/362339878.db2.gz QSHQNLZOTNCGFZ-NSHDSACASA-N 1 2 242.363 1.353 20 0 BDADLO c1cn(CCNc2cc(C3CC3)ncn2)c[nH+]1 ZINC000641277655 362342601 /nfs/dbraw/zinc/34/26/01/362342601.db2.gz LULAULVYBVZXPJ-UHFFFAOYSA-N 1 2 229.287 1.085 20 0 BDADLO FC(F)[C@H]1CC[N@H+](Cc2cc[nH]n2)CCO1 ZINC000634734680 344116171 /nfs/dbraw/zinc/11/61/71/344116171.db2.gz MARSXECNZDBQGN-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO FC(F)[C@H]1CC[N@@H+](Cc2cc[nH]n2)CCO1 ZINC000634734680 344116175 /nfs/dbraw/zinc/11/61/75/344116175.db2.gz MARSXECNZDBQGN-SECBINFHSA-N 1 2 231.246 1.266 20 0 BDADLO Cc1nc(CNc2cc(CO)cc[nH+]2)cs1 ZINC000641299970 362351456 /nfs/dbraw/zinc/35/14/56/362351456.db2.gz ZNLBGNPMCGYCAU-UHFFFAOYSA-N 1 2 235.312 1.951 20 0 BDADLO Cn1cccc1C(=O)C[NH+](C1CC1)C1CC1 ZINC000625838703 344091977 /nfs/dbraw/zinc/09/19/77/344091977.db2.gz HYIVGZLUVIJHJC-UHFFFAOYSA-N 1 2 218.300 1.835 20 0 BDADLO CO[C@H](C)c1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625838772 344092003 /nfs/dbraw/zinc/09/20/03/344092003.db2.gz KJRWNLRFGPRJFD-MRVPVSSYSA-N 1 2 237.303 1.904 20 0 BDADLO FCCn1ncnc1C[NH+](C1CC1)C1CC1 ZINC000625840904 344092046 /nfs/dbraw/zinc/09/20/46/344092046.db2.gz GAHDIBUPALHNRZ-UHFFFAOYSA-N 1 2 224.283 1.374 20 0 BDADLO C(c1nnc2n1CCCC2)[NH+](C1CC1)C1CC1 ZINC000625843394 344094350 /nfs/dbraw/zinc/09/43/50/344094350.db2.gz UWMKYIOEBQMNAD-UHFFFAOYSA-N 1 2 232.331 1.741 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000625854145 344125594 /nfs/dbraw/zinc/12/55/94/344125594.db2.gz YWGPIUUTLGRARV-WDEREUQCSA-N 1 2 238.287 1.437 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000625854145 344125597 /nfs/dbraw/zinc/12/55/97/344125597.db2.gz YWGPIUUTLGRARV-WDEREUQCSA-N 1 2 238.287 1.437 20 0 BDADLO CC(C)(C)NC(=O)CCNc1cc[nH+]cc1F ZINC000641337216 362367682 /nfs/dbraw/zinc/36/76/82/362367682.db2.gz AWFGCCMBAVSQEM-UHFFFAOYSA-N 1 2 239.294 1.359 20 0 BDADLO Cn1cnc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000634757950 344225881 /nfs/dbraw/zinc/22/58/81/344225881.db2.gz DYBVDZPMXWENLK-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cnc(C[N@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000634757950 344225883 /nfs/dbraw/zinc/22/58/83/344225883.db2.gz DYBVDZPMXWENLK-JTQLQIEISA-N 1 2 245.273 1.276 20 0 BDADLO Cc1nn(C)c(C)c1CNc1cc(CO)cc[nH+]1 ZINC000641324506 362363757 /nfs/dbraw/zinc/36/37/57/362363757.db2.gz PVSIJDHPUPPMNF-UHFFFAOYSA-N 1 2 246.314 1.536 20 0 BDADLO COCc1cccc(C[NH2+]Cc2ncnn2C)c1 ZINC000088572071 344240685 /nfs/dbraw/zinc/24/06/85/344240685.db2.gz ONRMBYIOKBLSLU-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO CCc1nnc([C@@H](C)[N@H+](C)C2CC(O)C2)o1 ZINC000408217200 344253115 /nfs/dbraw/zinc/25/31/15/344253115.db2.gz YDIJNNFHOHOAJI-AFPNSQJFSA-N 1 2 225.292 1.148 20 0 BDADLO CCc1nnc([C@@H](C)[N@@H+](C)C2CC(O)C2)o1 ZINC000408217200 344253119 /nfs/dbraw/zinc/25/31/19/344253119.db2.gz YDIJNNFHOHOAJI-AFPNSQJFSA-N 1 2 225.292 1.148 20 0 BDADLO Cc1cncnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000641342825 362371104 /nfs/dbraw/zinc/37/11/04/362371104.db2.gz IQMSCCUIXWLLQV-GFCCVEGCSA-N 1 2 243.314 1.823 20 0 BDADLO CC(C)C[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641364390 362377843 /nfs/dbraw/zinc/37/78/43/362377843.db2.gz RFMZFMOFUINQBK-NSHDSACASA-N 1 2 224.304 1.393 20 0 BDADLO Cc1nc(N2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000385005967 344291298 /nfs/dbraw/zinc/29/12/98/344291298.db2.gz VHIDCDYYKZWDQJ-UHFFFAOYSA-N 1 2 241.298 1.155 20 0 BDADLO Cc1nc(N)nc(N2CCc3ccccc3C2)[nH+]1 ZINC000385005967 344291301 /nfs/dbraw/zinc/29/13/01/344291301.db2.gz VHIDCDYYKZWDQJ-UHFFFAOYSA-N 1 2 241.298 1.155 20 0 BDADLO CC[N@H+](Cc1ccco1)[C@@H](C)CS(C)(=O)=O ZINC000093390002 344315356 /nfs/dbraw/zinc/31/53/56/344315356.db2.gz LMOKFPGXFAPJSY-JTQLQIEISA-N 1 2 245.344 1.535 20 0 BDADLO CC[N@@H+](Cc1ccco1)[C@@H](C)CS(C)(=O)=O ZINC000093390002 344315358 /nfs/dbraw/zinc/31/53/58/344315358.db2.gz LMOKFPGXFAPJSY-JTQLQIEISA-N 1 2 245.344 1.535 20 0 BDADLO CCC[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641373689 362382319 /nfs/dbraw/zinc/38/23/19/362382319.db2.gz WIQHNVDMCHCQFJ-GFCCVEGCSA-N 1 2 224.304 1.537 20 0 BDADLO OCc1ccc(C[N@@H+]2CCOC3(CCC3)C2)o1 ZINC000093640348 344320157 /nfs/dbraw/zinc/32/01/57/344320157.db2.gz QMOBLWFQTBBGEU-UHFFFAOYSA-N 1 2 237.299 1.527 20 0 BDADLO OCc1ccc(C[N@H+]2CCOC3(CCC3)C2)o1 ZINC000093640348 344320158 /nfs/dbraw/zinc/32/01/58/344320158.db2.gz QMOBLWFQTBBGEU-UHFFFAOYSA-N 1 2 237.299 1.527 20 0 BDADLO CC(C)(C)C[C@@H](O)CNc1cc[nH+]cc1F ZINC000641379715 362384472 /nfs/dbraw/zinc/38/44/72/362384472.db2.gz CGNULHDZZQVCCL-SECBINFHSA-N 1 2 226.295 1.852 20 0 BDADLO NC(=O)C1(CNc2cc[nH+]cc2F)CCCC1 ZINC000641377995 362383004 /nfs/dbraw/zinc/38/30/04/362383004.db2.gz BVRRRYYPZAZHFZ-UHFFFAOYSA-N 1 2 237.278 1.100 20 0 BDADLO CCC[C@H](C[NH2+][C@@H](CC)C(=O)OC)OCC ZINC000600605258 344339310 /nfs/dbraw/zinc/33/93/10/344339310.db2.gz MEVCQTPBWLSFOG-MNOVXSKESA-N 1 2 231.336 1.733 20 0 BDADLO COCCN1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000600619610 344340711 /nfs/dbraw/zinc/34/07/11/344340711.db2.gz LIBVWVHUPHPASD-ZDUSSCGKSA-N 1 2 249.358 1.407 20 0 BDADLO Cc1nc(N2CCC(C(C)(C)C)CC2)nc(N)[nH+]1 ZINC000385047229 344305450 /nfs/dbraw/zinc/30/54/50/344305450.db2.gz MKDHQTQMGBNLSI-UHFFFAOYSA-N 1 2 249.362 1.855 20 0 BDADLO Cc1nc(N)nc(N2CCC(C(C)(C)C)CC2)[nH+]1 ZINC000385047229 344305451 /nfs/dbraw/zinc/30/54/51/344305451.db2.gz MKDHQTQMGBNLSI-UHFFFAOYSA-N 1 2 249.362 1.855 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000093050732 344307845 /nfs/dbraw/zinc/30/78/45/344307845.db2.gz OKLNQAWPDMYLBS-SNVBAGLBSA-N 1 2 224.329 1.459 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000093050732 344307848 /nfs/dbraw/zinc/30/78/48/344307848.db2.gz OKLNQAWPDMYLBS-SNVBAGLBSA-N 1 2 224.329 1.459 20 0 BDADLO CCOC(=O)[C@@H](C)CNc1cc(C2CC2)[nH+]cn1 ZINC000603308978 349910383 /nfs/dbraw/zinc/91/03/83/349910383.db2.gz OAXPTKZLBYVVPU-VIFPVBQESA-N 1 2 249.314 1.387 20 0 BDADLO C[C@@H](O)CC(C)(C)CNc1cc[nH+]cc1F ZINC000641394937 362389951 /nfs/dbraw/zinc/38/99/51/362389951.db2.gz OENHUNYNITYARI-SECBINFHSA-N 1 2 226.295 1.852 20 0 BDADLO C[C@@H](CO)CSCc1ccc[nH+]c1N ZINC000085140415 344503563 /nfs/dbraw/zinc/50/35/63/344503563.db2.gz JJQDDNPJPOUAOD-QMMMGPOBSA-N 1 2 212.318 1.525 20 0 BDADLO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)[nH]n1 ZINC000381423018 344505052 /nfs/dbraw/zinc/50/50/52/344505052.db2.gz XWEVBXBMZXHDTB-UHFFFAOYSA-N 1 2 233.300 1.336 20 0 BDADLO CCCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042511677 344442214 /nfs/dbraw/zinc/44/22/14/344442214.db2.gz HAKMKAJCEQQRTG-LLVKDONJSA-N 1 2 223.320 1.968 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](C)c1cccs1 ZINC000042227140 344446620 /nfs/dbraw/zinc/44/66/20/344446620.db2.gz DUALUIIPSZAFPY-MRVPVSSYSA-N 1 2 213.302 1.914 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000042227140 344446622 /nfs/dbraw/zinc/44/66/22/344446622.db2.gz DUALUIIPSZAFPY-MRVPVSSYSA-N 1 2 213.302 1.914 20 0 BDADLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nncs1 ZINC000104140532 344454648 /nfs/dbraw/zinc/45/46/48/344454648.db2.gz HOBGHBQBQLTYBC-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nncs1 ZINC000104140532 344454650 /nfs/dbraw/zinc/45/46/50/344454650.db2.gz HOBGHBQBQLTYBC-QMMMGPOBSA-N 1 2 240.332 1.351 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000042518198 344456452 /nfs/dbraw/zinc/45/64/52/344456452.db2.gz MHIILZOTWHPSKU-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000042518198 344456453 /nfs/dbraw/zinc/45/64/53/344456453.db2.gz MHIILZOTWHPSKU-QMMMGPOBSA-N 1 2 245.754 1.849 20 0 BDADLO O=C([C@H]1CC12CC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000622338061 344506394 /nfs/dbraw/zinc/50/63/94/344506394.db2.gz WCXINUWPCPIJEF-LLVKDONJSA-N 1 2 245.326 1.916 20 0 BDADLO COC(=O)[C@H](C)SCc1ccc[nH+]c1N ZINC000603313781 349912035 /nfs/dbraw/zinc/91/20/35/349912035.db2.gz GKPZEVFFGHAPIF-ZETCQYMHSA-N 1 2 226.301 1.459 20 0 BDADLO C[C@@H]1C[C@H]1N1C[C@@H](Nc2cc[nH+]cc2F)CC1=O ZINC000641406018 362398542 /nfs/dbraw/zinc/39/85/42/362398542.db2.gz LDTAKDKSBYBASN-VDDIYKPWSA-N 1 2 249.289 1.064 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641441472 362420949 /nfs/dbraw/zinc/42/09/49/362420949.db2.gz LNNKPAPREQSKTC-VIFPVBQESA-N 1 2 237.278 1.065 20 0 BDADLO Cc1cnc(SCc2cn(C)c[nH+]2)nc1 ZINC000641444873 362423424 /nfs/dbraw/zinc/42/34/24/362423424.db2.gz JLBSUNIPOUZTDZ-UHFFFAOYSA-N 1 2 220.301 1.811 20 0 BDADLO CC(C)(C)C[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641451296 362425651 /nfs/dbraw/zinc/42/56/51/362425651.db2.gz OUSJRLMCXUMREF-NSHDSACASA-N 1 2 238.331 1.783 20 0 BDADLO OCc1cc[nH+]c(N2CCOC3(CCC3)C2)c1 ZINC000641471666 362445254 /nfs/dbraw/zinc/44/52/54/362445254.db2.gz XLEFNYULTMEGPN-UHFFFAOYSA-N 1 2 234.299 1.333 20 0 BDADLO O=c1[nH]cnc2c1CN(c1cc[nH+]cc1F)CC2 ZINC000641457652 362429215 /nfs/dbraw/zinc/42/92/15/362429215.db2.gz YJSSMQDWAIXFLY-UHFFFAOYSA-N 1 2 246.245 1.279 20 0 BDADLO CCc1nn(C)cc1CNc1cc(CO)cc[nH+]1 ZINC000641476681 362445396 /nfs/dbraw/zinc/44/53/96/362445396.db2.gz OAPNIMFKQJRDTG-UHFFFAOYSA-N 1 2 246.314 1.482 20 0 BDADLO COC(=O)C[C@@H](C)SCc1ccc[nH+]c1N ZINC000603319732 349913803 /nfs/dbraw/zinc/91/38/03/349913803.db2.gz NJNSEQSVBHDRFP-MRVPVSSYSA-N 1 2 240.328 1.849 20 0 BDADLO OC[C@H](CC1CC1)Nc1cc[nH+]cc1F ZINC000641461736 362435436 /nfs/dbraw/zinc/43/54/36/362435436.db2.gz MIVRDPQSTHNDNZ-VIFPVBQESA-N 1 2 210.252 1.216 20 0 BDADLO CCCCCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152486362 344579652 /nfs/dbraw/zinc/57/96/52/344579652.db2.gz JIQKNUYFXRABFR-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO CCCCCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152486362 344579655 /nfs/dbraw/zinc/57/96/55/344579655.db2.gz JIQKNUYFXRABFR-RYUDHWBXSA-N 1 2 240.347 1.108 20 0 BDADLO COC(=O)C[N@H+](Cc1ccc(C)o1)C(C)C ZINC000048336396 344586254 /nfs/dbraw/zinc/58/62/54/344586254.db2.gz IORHNBORVAJTFW-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccc(C)o1)C(C)C ZINC000048336396 344586258 /nfs/dbraw/zinc/58/62/58/344586258.db2.gz IORHNBORVAJTFW-UHFFFAOYSA-N 1 2 225.288 1.971 20 0 BDADLO Cc1cc(N)nc(SC[C@@H]2CCCO2)[nH+]1 ZINC000048411061 344587161 /nfs/dbraw/zinc/58/71/61/344587161.db2.gz XZPZKLSXLMNDQB-QMMMGPOBSA-N 1 2 225.317 1.638 20 0 BDADLO CO[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1(C)C ZINC000641427495 362411800 /nfs/dbraw/zinc/41/18/00/362411800.db2.gz ZKUITBCTZXUMCA-QWRGUYRKSA-N 1 2 224.279 1.868 20 0 BDADLO CO[C@@H]1C[C@H](Nc2cc[nH+]cc2F)C1(C)C ZINC000641427496 362411877 /nfs/dbraw/zinc/41/18/77/362411877.db2.gz ZKUITBCTZXUMCA-WDEREUQCSA-N 1 2 224.279 1.868 20 0 BDADLO COC(=O)C[N@H+](C)Cc1cc(C)ccc1C ZINC000048584013 344588575 /nfs/dbraw/zinc/58/85/75/344588575.db2.gz KMESJZIDYIJFRE-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1cc(C)ccc1C ZINC000048584013 344588578 /nfs/dbraw/zinc/58/85/78/344588578.db2.gz KMESJZIDYIJFRE-UHFFFAOYSA-N 1 2 221.300 1.908 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCCOCC2)c1 ZINC000641481112 362448818 /nfs/dbraw/zinc/44/88/18/362448818.db2.gz UKBCPDGBQCSBBX-LLVKDONJSA-N 1 2 222.288 1.555 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1CCCOCC1 ZINC000641480237 362450142 /nfs/dbraw/zinc/45/01/42/362450142.db2.gz PBZXDYYXWISQDK-SECBINFHSA-N 1 2 210.252 1.624 20 0 BDADLO C[C@@H](Nc1cc[nH+]cc1F)[C@H]1CCCOC1 ZINC000641484617 362452442 /nfs/dbraw/zinc/45/24/42/362452442.db2.gz VXYLDVKMVXTTGX-ZJUUUORDSA-N 1 2 224.279 1.870 20 0 BDADLO CC(C)OCCCCNc1cc(CO)cc[nH+]1 ZINC000641489041 362457263 /nfs/dbraw/zinc/45/72/63/362457263.db2.gz ZKDKHJLRQBXGPF-UHFFFAOYSA-N 1 2 238.331 1.613 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000641490746 362458392 /nfs/dbraw/zinc/45/83/92/362458392.db2.gz HURLZMHORNBRTK-OLZOCXBDSA-N 1 2 248.326 1.943 20 0 BDADLO OCC[C@H]1CCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641503835 362466650 /nfs/dbraw/zinc/46/66/50/362466650.db2.gz IAFGADYVMHVHCY-NEPJUHHUSA-N 1 2 236.315 1.537 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@H](C2CC2)O1 ZINC000641546745 362493508 /nfs/dbraw/zinc/49/35/08/362493508.db2.gz YREYMVBLKPBDMT-GXFFZTMASA-N 1 2 248.326 1.578 20 0 BDADLO Fc1c[nH+]ccc1NC[C@@H]1CCSC1 ZINC000641543303 362491160 /nfs/dbraw/zinc/49/11/60/362491160.db2.gz FIMMOGOPTIFZPM-QMMMGPOBSA-N 1 2 212.293 1.808 20 0 BDADLO COc1cccc2c1C[N@H+](CCOCCO)C2 ZINC000626021626 344677255 /nfs/dbraw/zinc/67/72/55/344677255.db2.gz JZUXSJMIYFLALU-UHFFFAOYSA-N 1 2 237.299 1.020 20 0 BDADLO COc1cccc2c1C[N@@H+](CCOCCO)C2 ZINC000626021626 344677257 /nfs/dbraw/zinc/67/72/57/344677257.db2.gz JZUXSJMIYFLALU-UHFFFAOYSA-N 1 2 237.299 1.020 20 0 BDADLO CC1(C)CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000620735886 344678835 /nfs/dbraw/zinc/67/88/35/344678835.db2.gz JABOEPHQYOUQIG-SNVBAGLBSA-N 1 2 247.342 1.750 20 0 BDADLO CC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000152779006 344692176 /nfs/dbraw/zinc/69/21/76/344692176.db2.gz YVBOSCIBXPKLAN-NSHDSACASA-N 1 2 245.326 1.577 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626046967 344698638 /nfs/dbraw/zinc/69/86/38/344698638.db2.gz ZAJISBYDXONXBF-UJNFCWOMSA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)C[C@H]2C[C@@H](O)C2)no1 ZINC000626046967 344698641 /nfs/dbraw/zinc/69/86/41/344698641.db2.gz ZAJISBYDXONXBF-UJNFCWOMSA-N 1 2 225.292 1.142 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1cncs1 ZINC000493567229 530026003 /nfs/dbraw/zinc/02/60/03/530026003.db2.gz MTHZWCFRETTZAX-NSCUHMNNSA-N 1 2 248.311 1.538 20 0 BDADLO CO[C@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075531595 344773952 /nfs/dbraw/zinc/77/39/52/344773952.db2.gz ZGSREZBFFKZHKG-ZJUUUORDSA-N 1 2 237.303 1.151 20 0 BDADLO CCc1nnc(C[NH+]2CCC(O)(CC)CC2)o1 ZINC000075859071 344785596 /nfs/dbraw/zinc/78/55/96/344785596.db2.gz FNZFOMWCDRAOEZ-UHFFFAOYSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)CC[C@@H](C)O)n1 ZINC000075782033 344791626 /nfs/dbraw/zinc/79/16/26/344791626.db2.gz ZZKAXHVEUXBLGP-RKDXNWHRSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075782033 344791627 /nfs/dbraw/zinc/79/16/27/344791627.db2.gz ZZKAXHVEUXBLGP-RKDXNWHRSA-N 1 2 227.308 1.396 20 0 BDADLO CCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076048869 344793383 /nfs/dbraw/zinc/79/33/83/344793383.db2.gz ARSURKPWWAOYTE-SECBINFHSA-N 1 2 222.292 1.319 20 0 BDADLO Cc1ccc(NC(=O)N(C)CCO)c(C)[nH+]1 ZINC000152386627 178731779 /nfs/dbraw/zinc/73/17/79/178731779.db2.gz QSIIFSXDSNUKSB-UHFFFAOYSA-N 1 2 223.276 1.154 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291462365 537862143 /nfs/dbraw/zinc/86/21/43/537862143.db2.gz OFZNVEIKDOMEBU-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO CC(C)C[N@@H+]1CC(=O)N[C@H]1C1CCCCC1 ZINC000077474072 344819656 /nfs/dbraw/zinc/81/96/56/344819656.db2.gz JUYOAKVCAVONBT-CYBMUJFWSA-N 1 2 224.348 1.981 20 0 BDADLO CC(C)C[N@H+]1CC(=O)N[C@H]1C1CCCCC1 ZINC000077474072 344819658 /nfs/dbraw/zinc/81/96/58/344819658.db2.gz JUYOAKVCAVONBT-CYBMUJFWSA-N 1 2 224.348 1.981 20 0 BDADLO CCCN(CC(=O)N(C)C)Cc1[nH]cc(C)[nH+]1 ZINC000628152872 344841739 /nfs/dbraw/zinc/84/17/39/344841739.db2.gz RGIDBKAGFGOTPA-UHFFFAOYSA-N 1 2 238.335 1.018 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC000078253498 344837668 /nfs/dbraw/zinc/83/76/68/344837668.db2.gz GGDRZYKLAHIUSV-SCZZXKLOSA-N 1 2 209.293 1.604 20 0 BDADLO CCOCC[N@H+](CC)Cc1nc(C)c(C)[nH]1 ZINC000628156537 344847320 /nfs/dbraw/zinc/84/73/20/344847320.db2.gz RYPVPWGAGZPJJQ-UHFFFAOYSA-N 1 2 225.336 1.885 20 0 BDADLO CCOCC[N@@H+](CC)Cc1nc(C)c(C)[nH]1 ZINC000628156537 344847322 /nfs/dbraw/zinc/84/73/22/344847322.db2.gz RYPVPWGAGZPJJQ-UHFFFAOYSA-N 1 2 225.336 1.885 20 0 BDADLO CCOCCN(CC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628156537 344847324 /nfs/dbraw/zinc/84/73/24/344847324.db2.gz RYPVPWGAGZPJJQ-UHFFFAOYSA-N 1 2 225.336 1.885 20 0 BDADLO CCC1(CNC(=O)NCc2[nH+]ccn2C)CC1 ZINC000078356381 344852014 /nfs/dbraw/zinc/85/20/14/344852014.db2.gz BRCHGESMSNAEJZ-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO CNC(=O)[C@]1(C)CCN(c2cc[nH+]cc2F)C1 ZINC000641547520 362495595 /nfs/dbraw/zinc/49/55/95/362495595.db2.gz ASVSHWMLKSXENI-GFCCVEGCSA-N 1 2 237.278 1.183 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628153655 344843693 /nfs/dbraw/zinc/84/36/93/344843693.db2.gz ZHQKOZZNPDQIRI-UHFFFAOYSA-N 1 2 247.346 1.782 20 0 BDADLO Cc1occc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153395055 344865435 /nfs/dbraw/zinc/86/54/35/344865435.db2.gz YVWRRFNCJVPYSN-JTQLQIEISA-N 1 2 247.298 1.851 20 0 BDADLO COCCOC[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000078520973 344878961 /nfs/dbraw/zinc/87/89/61/344878961.db2.gz NYTRFBRVVXTUFQ-GFCCVEGCSA-N 1 2 236.315 1.571 20 0 BDADLO CCc1nncn1CCNc1cc[nH+]c(C)n1 ZINC000078560693 344882658 /nfs/dbraw/zinc/88/26/58/344882658.db2.gz DIRRZBINSUFBAB-UHFFFAOYSA-N 1 2 232.291 1.051 20 0 BDADLO Cc1c[nH+]c(N2CCCC2)nc1N1CCCC1 ZINC000078711359 344899088 /nfs/dbraw/zinc/89/90/88/344899088.db2.gz GEUREMDIVGEUET-UHFFFAOYSA-N 1 2 232.331 1.985 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000153544169 344901495 /nfs/dbraw/zinc/90/14/95/344901495.db2.gz YMDJPVRUXMVTQE-NWDGAFQWSA-N 1 2 247.342 1.704 20 0 BDADLO CS[C@@H](C)CC(=O)NCCc1c[nH+]cn1C ZINC000121269505 344918712 /nfs/dbraw/zinc/91/87/12/344918712.db2.gz YSEQFIOVRAMZEV-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000079254812 344948436 /nfs/dbraw/zinc/94/84/36/344948436.db2.gz RWJJZDODRLDPLI-LLVKDONJSA-N 1 2 238.335 1.713 20 0 BDADLO CCc1nc(C[N@H+](CC)C[C@H]2CCOC2)no1 ZINC000054317388 344992076 /nfs/dbraw/zinc/99/20/76/344992076.db2.gz DAODOXHNNXPRGS-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO CCc1nc(C[N@@H+](CC)C[C@H]2CCOC2)no1 ZINC000054317388 344992078 /nfs/dbraw/zinc/99/20/78/344992078.db2.gz DAODOXHNNXPRGS-SNVBAGLBSA-N 1 2 239.319 1.490 20 0 BDADLO C[C@H](O)[C@H](C)SCc1cn(C)c[nH+]1 ZINC000603322622 349922361 /nfs/dbraw/zinc/92/23/61/349922361.db2.gz WEZFESXQRNKENT-YUMQZZPRSA-N 1 2 200.307 1.423 20 0 BDADLO CCn1cc[nH+]c1CNc1ncncc1C ZINC000641615828 362548630 /nfs/dbraw/zinc/54/86/30/362548630.db2.gz HNWNOTJWMPAJKE-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO CCC[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000079993952 345073633 /nfs/dbraw/zinc/07/36/33/345073633.db2.gz IXXDCHOWDCJKMT-MNOVXSKESA-N 1 2 235.331 1.815 20 0 BDADLO C[C@@H](Cc1cnn(C)c1)Nc1cc[nH+]cc1F ZINC000641622466 362554463 /nfs/dbraw/zinc/55/44/63/362554463.db2.gz VWENJHXGWYQONX-VIFPVBQESA-N 1 2 234.278 1.419 20 0 BDADLO CC(F)(F)CCCNc1cc(CO)cc[nH+]1 ZINC000641613451 362545082 /nfs/dbraw/zinc/54/50/82/362545082.db2.gz RSXQGRRNULFPFH-UHFFFAOYSA-N 1 2 230.258 1.843 20 0 BDADLO CC[C@H](C)C[C@@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641646516 362572358 /nfs/dbraw/zinc/57/23/58/362572358.db2.gz UBYAIHBCPDLWES-JQWIXIFHSA-N 1 2 238.331 1.783 20 0 BDADLO CO[C@H](CNc1cc[nH+]cc1F)[C@H]1CCOC1 ZINC000641657188 362581446 /nfs/dbraw/zinc/58/14/46/362581446.db2.gz PLMNQENGLSREFD-JOYOIKCWSA-N 1 2 240.278 1.106 20 0 BDADLO CCO[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641626939 362556258 /nfs/dbraw/zinc/55/62/58/362556258.db2.gz IGXYUFYRTWTMMA-PHIMTYICSA-N 1 2 222.288 1.553 20 0 BDADLO C[C@H]1[C@H](CO)CCCN1c1cc(CO)cc[nH+]1 ZINC000641638794 362567316 /nfs/dbraw/zinc/56/73/16/362567316.db2.gz SWHSSXAIXUOWFY-JQWIXIFHSA-N 1 2 236.315 1.171 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCC1 ZINC000635053966 345229176 /nfs/dbraw/zinc/22/91/76/345229176.db2.gz LHYWCXCJORMJBB-NXEZZACHSA-N 1 2 219.288 1.526 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCC1 ZINC000635053966 345229177 /nfs/dbraw/zinc/22/91/77/345229177.db2.gz LHYWCXCJORMJBB-NXEZZACHSA-N 1 2 219.288 1.526 20 0 BDADLO CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635068493 345236988 /nfs/dbraw/zinc/23/69/88/345236988.db2.gz JMPXDFPCUOKWAT-ZETCQYMHSA-N 1 2 235.209 1.513 20 0 BDADLO CO[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000128506645 345238898 /nfs/dbraw/zinc/23/88/98/345238898.db2.gz JAMRIRWVDXNYPO-SNVBAGLBSA-N 1 2 222.288 1.980 20 0 BDADLO CCc1c[nH]c(CC(=O)NCC(C)C)[nH+]1 ZINC000635085224 345243657 /nfs/dbraw/zinc/24/36/57/345243657.db2.gz GVJOYEYDJNQWFN-UHFFFAOYSA-N 1 2 209.293 1.287 20 0 BDADLO COC(=O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000051100083 345258068 /nfs/dbraw/zinc/25/80/68/345258068.db2.gz YKXRNBSAQWTCRC-NSHDSACASA-N 1 2 225.313 1.962 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C2CCC1CC2 ZINC000635181705 345265425 /nfs/dbraw/zinc/26/54/25/345265425.db2.gz SVONSEGDFWYHPZ-JPPWEJMLSA-N 1 2 231.299 1.667 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C2CCC1CC2 ZINC000635181705 345265429 /nfs/dbraw/zinc/26/54/29/345265429.db2.gz SVONSEGDFWYHPZ-JPPWEJMLSA-N 1 2 231.299 1.667 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635201064 345270045 /nfs/dbraw/zinc/27/00/45/345270045.db2.gz KYVWIJBVNRWUOH-HTQZYQBOSA-N 1 2 207.277 1.428 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635201064 345270046 /nfs/dbraw/zinc/27/00/46/345270046.db2.gz KYVWIJBVNRWUOH-HTQZYQBOSA-N 1 2 207.277 1.428 20 0 BDADLO CC(C)C[C@@H](C(=O)N(C)C)n1cc[nH+]c1 ZINC000635203858 345271096 /nfs/dbraw/zinc/27/10/96/345271096.db2.gz OTEZAYLUANXSAF-JTQLQIEISA-N 1 2 209.293 1.559 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635226174 345278614 /nfs/dbraw/zinc/27/86/14/345278614.db2.gz RHVRHXCJJRJKLW-RKDXNWHRSA-N 1 2 207.277 1.380 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635226174 345278618 /nfs/dbraw/zinc/27/86/18/345278618.db2.gz RHVRHXCJJRJKLW-RKDXNWHRSA-N 1 2 207.277 1.380 20 0 BDADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C)o1 ZINC000189937546 178847320 /nfs/dbraw/zinc/84/73/20/178847320.db2.gz HYLLSKZOBHGHEG-BDAKNGLRSA-N 1 2 235.291 1.523 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000635270935 345292334 /nfs/dbraw/zinc/29/23/34/345292334.db2.gz LXHOZKNLZRAFDW-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC000635270935 345292336 /nfs/dbraw/zinc/29/23/36/345292336.db2.gz LXHOZKNLZRAFDW-NXEZZACHSA-N 1 2 249.314 1.151 20 0 BDADLO CC1(C)C[N@H+](Cc2cncs2)C[C@@H](CO)O1 ZINC000158734480 345371498 /nfs/dbraw/zinc/37/14/98/345371498.db2.gz NFFKHSZDWFUQEZ-VIFPVBQESA-N 1 2 242.344 1.115 20 0 BDADLO CC1(C)C[N@@H+](Cc2cncs2)C[C@@H](CO)O1 ZINC000158734480 345371499 /nfs/dbraw/zinc/37/14/99/345371499.db2.gz NFFKHSZDWFUQEZ-VIFPVBQESA-N 1 2 242.344 1.115 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n(C)n1 ZINC000635364340 345327021 /nfs/dbraw/zinc/32/70/21/345327021.db2.gz SYQCMGCEOIXTRL-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n(C)n1 ZINC000635364340 345327023 /nfs/dbraw/zinc/32/70/23/345327023.db2.gz SYQCMGCEOIXTRL-RKDXNWHRSA-N 1 2 245.286 1.194 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000635506856 345406291 /nfs/dbraw/zinc/40/62/91/345406291.db2.gz WHJDOTCUGSTPHD-GXSJLCMTSA-N 1 2 235.331 1.819 20 0 BDADLO CCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000425280360 192088153 /nfs/dbraw/zinc/08/81/53/192088153.db2.gz XKXWEZJZCRNZAS-UHFFFAOYSA-N 1 2 248.330 1.418 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2)no1 ZINC000159326559 345424343 /nfs/dbraw/zinc/42/43/43/345424343.db2.gz AZCMTVKDMSWAAL-SNVBAGLBSA-N 1 2 233.271 1.691 20 0 BDADLO CC[C@@H]1CN(c2[nH+]c(C)nc3[nH]ccc32)CCO1 ZINC000080945972 345453978 /nfs/dbraw/zinc/45/39/78/345453978.db2.gz ALRLZSOTAVCOCH-SNVBAGLBSA-N 1 2 246.314 1.882 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)C(=O)N(C)C)[nH+]1 ZINC000080947832 345454063 /nfs/dbraw/zinc/45/40/63/345454063.db2.gz VGUNWLBGCZVOID-SSDOTTSWSA-N 1 2 247.302 1.155 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)CC[C@@H]1O ZINC000159463862 345435786 /nfs/dbraw/zinc/43/57/86/345435786.db2.gz MBCPJJFIJRHWHT-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)CC[C@@H]1O ZINC000159463862 345435791 /nfs/dbraw/zinc/43/57/91/345435791.db2.gz MBCPJJFIJRHWHT-BDAKNGLRSA-N 1 2 245.273 1.481 20 0 BDADLO CN(C)C(=O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000080764355 345449989 /nfs/dbraw/zinc/44/99/89/345449989.db2.gz YJUHSEGFRDQAJV-UHFFFAOYSA-N 1 2 236.319 1.274 20 0 BDADLO Cc1cc(N2CC([C@H](C)O)C2)nc(C2CC2)[nH+]1 ZINC000641658947 362583307 /nfs/dbraw/zinc/58/33/07/362583307.db2.gz IYZTWBKAQDWLET-VIFPVBQESA-N 1 2 233.315 1.479 20 0 BDADLO O=C(CCC(F)(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000531418796 323089131 /nfs/dbraw/zinc/08/91/31/323089131.db2.gz BKDYOXZFDNHNPK-UHFFFAOYSA-N 1 2 247.220 1.609 20 0 BDADLO CN(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000082276024 345500786 /nfs/dbraw/zinc/50/07/86/345500786.db2.gz ZICWITQRSDTECM-VIFPVBQESA-N 1 2 222.292 1.142 20 0 BDADLO C[C@@H](O)C1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000641660193 362586960 /nfs/dbraw/zinc/58/69/60/362586960.db2.gz XXMNAXGJNNGPQY-MRVPVSSYSA-N 1 2 219.288 1.171 20 0 BDADLO CCC[C@H](O)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080982684 345458405 /nfs/dbraw/zinc/45/84/05/345458405.db2.gz PYCGCIDZBGNUCA-VIFPVBQESA-N 1 2 234.303 1.839 20 0 BDADLO COC[C@H]1CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000081002569 345458423 /nfs/dbraw/zinc/45/84/23/345458423.db2.gz CRFKXSIQXDHAOB-JTQLQIEISA-N 1 2 246.314 1.739 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccno2)C1 ZINC000081049423 345459468 /nfs/dbraw/zinc/45/94/68/345459468.db2.gz FZCPTSCBBQPSGK-MRVPVSSYSA-N 1 2 236.193 1.174 20 0 BDADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccno2)C1 ZINC000081049423 345459471 /nfs/dbraw/zinc/45/94/71/345459471.db2.gz FZCPTSCBBQPSGK-MRVPVSSYSA-N 1 2 236.193 1.174 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)CC[C@@H](C)O)[nH+]1 ZINC000081019198 345461668 /nfs/dbraw/zinc/46/16/68/345461668.db2.gz HARWNOTUOPFEEL-MRVPVSSYSA-N 1 2 234.303 1.473 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc2n[nH]cc2c1 ZINC000081245309 345465803 /nfs/dbraw/zinc/46/58/03/345465803.db2.gz PJGSBDOYHHFJIL-UHFFFAOYSA-N 1 2 241.254 1.398 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081348243 345470625 /nfs/dbraw/zinc/47/06/25/345470625.db2.gz FRLDDPCYGRXVAG-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081348243 345470627 /nfs/dbraw/zinc/47/06/27/345470627.db2.gz FRLDDPCYGRXVAG-UTUOFQBUSA-N 1 2 240.347 1.107 20 0 BDADLO CC1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000081482668 345471819 /nfs/dbraw/zinc/47/18/19/345471819.db2.gz YWWDZGRXBVHQBJ-UHFFFAOYSA-N 1 2 207.277 1.142 20 0 BDADLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000081436145 345474879 /nfs/dbraw/zinc/47/48/79/345474879.db2.gz VTAYSBLFOQAVCX-QWRGUYRKSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CCCO)[nH+]1 ZINC000088758199 345545102 /nfs/dbraw/zinc/54/51/02/345545102.db2.gz PBDQAKSHYPDXBM-QMMMGPOBSA-N 1 2 234.303 1.839 20 0 BDADLO CCOc1cncc(NCCCn2cc[nH+]c2)n1 ZINC000091424870 345592479 /nfs/dbraw/zinc/59/24/79/345592479.db2.gz XQDOQFVXVKYRKC-UHFFFAOYSA-N 1 2 247.302 1.574 20 0 BDADLO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091623156 345601155 /nfs/dbraw/zinc/60/11/55/345601155.db2.gz FUSWSQRTAAOSFW-UWVGGRQHSA-N 1 2 238.335 1.499 20 0 BDADLO OCc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)o1 ZINC000093645601 345663625 /nfs/dbraw/zinc/66/36/25/345663625.db2.gz DKAJRDUZVXPIDA-ZDUSSCGKSA-N 1 2 237.299 1.383 20 0 BDADLO OCc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)o1 ZINC000093645601 345663628 /nfs/dbraw/zinc/66/36/28/345663628.db2.gz DKAJRDUZVXPIDA-ZDUSSCGKSA-N 1 2 237.299 1.383 20 0 BDADLO C[C@H](c1ccccc1)[N@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092617193 345641805 /nfs/dbraw/zinc/64/18/05/345641805.db2.gz ADUSMDXXURAEOW-SECBINFHSA-N 1 2 232.287 1.703 20 0 BDADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000092617193 345641808 /nfs/dbraw/zinc/64/18/08/345641808.db2.gz ADUSMDXXURAEOW-SECBINFHSA-N 1 2 232.287 1.703 20 0 BDADLO Cc1cc(N2C[C@@H]3C[C@]3(O)C2)nc(C2CC2)[nH+]1 ZINC000641713220 362625324 /nfs/dbraw/zinc/62/53/24/362625324.db2.gz NLEJHWTZFVEHSO-GWCFXTLKSA-N 1 2 231.299 1.233 20 0 BDADLO OCc1cc[nH+]c(N2CCO[C@@H](CCF)C2)c1 ZINC000641678973 362601317 /nfs/dbraw/zinc/60/13/17/362601317.db2.gz YZELQPSFDMTREQ-NSHDSACASA-N 1 2 240.278 1.139 20 0 BDADLO COC[C@@]1(C)CN(c2cc[nH+]cc2F)CCO1 ZINC000641680512 362602086 /nfs/dbraw/zinc/60/20/86/362602086.db2.gz RTUNPENBIMKWGC-GFCCVEGCSA-N 1 2 240.278 1.462 20 0 BDADLO CC[C@]1(O)CCCN(c2cc[nH+]cc2F)C1 ZINC000641681935 362604433 /nfs/dbraw/zinc/60/44/33/362604433.db2.gz KXGOYCHQNZPLPN-LBPRGKRZSA-N 1 2 224.279 1.962 20 0 BDADLO OCCC[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000093102121 345656731 /nfs/dbraw/zinc/65/67/31/345656731.db2.gz BVUCNIBKAIGBFJ-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO OCCC[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000093102121 345656733 /nfs/dbraw/zinc/65/67/33/345656733.db2.gz BVUCNIBKAIGBFJ-UHFFFAOYSA-N 1 2 245.326 1.794 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)[C@H](CCO)c1ccccc1 ZINC000093442535 345671051 /nfs/dbraw/zinc/67/10/51/345671051.db2.gz UPCKQGLIPSLHOO-CQSZACIVSA-N 1 2 245.326 1.965 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)[C@H](CCO)c1ccccc1 ZINC000093442535 345671052 /nfs/dbraw/zinc/67/10/52/345671052.db2.gz UPCKQGLIPSLHOO-CQSZACIVSA-N 1 2 245.326 1.965 20 0 BDADLO FCCCCn1cc[nH+]c1CN1CCOCC1 ZINC000641724795 362640017 /nfs/dbraw/zinc/64/00/17/362640017.db2.gz ILKSCWMPCMFKDH-UHFFFAOYSA-N 1 2 241.310 1.465 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCCC2)c1 ZINC000261254302 345791464 /nfs/dbraw/zinc/79/14/64/345791464.db2.gz HVFXALAVMZVWIT-UHFFFAOYSA-N 1 2 220.272 1.397 20 0 BDADLO Clc1ccc(CNCc2[nH]cc[nH+]2)o1 ZINC000070621330 345791726 /nfs/dbraw/zinc/79/17/26/345791726.db2.gz GIKSDHACPLOIKY-UHFFFAOYSA-N 1 2 211.652 1.946 20 0 BDADLO Clc1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000070621330 345791728 /nfs/dbraw/zinc/79/17/28/345791728.db2.gz GIKSDHACPLOIKY-UHFFFAOYSA-N 1 2 211.652 1.946 20 0 BDADLO C[C@@H](NC(=O)CCc1ccco1)c1[nH]cc[nH+]1 ZINC000140770588 345822061 /nfs/dbraw/zinc/82/20/61/345822061.db2.gz VLIFGMVOCGDYSC-SECBINFHSA-N 1 2 233.271 1.813 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)[C@H](C)O1 ZINC000631464010 345802601 /nfs/dbraw/zinc/80/26/01/345802601.db2.gz KJVCLOYCWUIOPN-YWVKMMECSA-N 1 2 233.315 1.754 20 0 BDADLO C[C@@H](NC(=O)c1cc(F)ccc1O)c1[nH]cc[nH+]1 ZINC000139756448 345802630 /nfs/dbraw/zinc/80/26/30/345802630.db2.gz FBXCVGJNLYNXMK-SSDOTTSWSA-N 1 2 249.245 1.745 20 0 BDADLO C[C@@H](NC(=O)C[C@H]1CCCCO1)c1[nH]cc[nH+]1 ZINC000141007917 345828580 /nfs/dbraw/zinc/82/85/80/345828580.db2.gz GLIBTEJKRRNLFI-NXEZZACHSA-N 1 2 237.303 1.546 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628292580 347087543 /nfs/dbraw/zinc/08/75/43/347087543.db2.gz KSNAWBAPASNXLZ-UHFFFAOYSA-N 1 2 237.303 1.249 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cnc(C2CC2)o1 ZINC000628292580 347087546 /nfs/dbraw/zinc/08/75/46/347087546.db2.gz KSNAWBAPASNXLZ-UHFFFAOYSA-N 1 2 237.303 1.249 20 0 BDADLO Fc1ccc2c(c1)OCCN(Cc1c[nH+]c[nH]1)C2 ZINC000626153645 345840824 /nfs/dbraw/zinc/84/08/24/345840824.db2.gz PDJGAJMOCREJRA-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Fc1ccc2c(c1)OCCN(Cc1c[nH]c[nH+]1)C2 ZINC000626153645 345840829 /nfs/dbraw/zinc/84/08/29/345840829.db2.gz PDJGAJMOCREJRA-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO CCc1c[nH]c(CC(=O)N(CC)C2CCC2)[nH+]1 ZINC000635586208 345880978 /nfs/dbraw/zinc/88/09/78/345880978.db2.gz ROVBTVBEZRSXCZ-UHFFFAOYSA-N 1 2 235.331 1.916 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635594391 345880992 /nfs/dbraw/zinc/88/09/92/345880992.db2.gz LOPFNJUEOMSWQG-HBNTYKKESA-N 1 2 235.331 1.922 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635594391 345880994 /nfs/dbraw/zinc/88/09/94/345880994.db2.gz LOPFNJUEOMSWQG-HBNTYKKESA-N 1 2 235.331 1.922 20 0 BDADLO CNc1cc(NCc2cccnc2)nc[nH+]1 ZINC000087808436 345942186 /nfs/dbraw/zinc/94/21/86/345942186.db2.gz ISXCCOZJSXGRRQ-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO CNc1cc(NCc2cccnc2)[nH+]cn1 ZINC000087808436 345942191 /nfs/dbraw/zinc/94/21/91/345942191.db2.gz ISXCCOZJSXGRRQ-UHFFFAOYSA-N 1 2 215.260 1.525 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1ccc[nH]c1=O ZINC000585684873 345979869 /nfs/dbraw/zinc/97/98/69/345979869.db2.gz XZBGWNZHISJCKE-UHFFFAOYSA-N 1 2 245.238 1.443 20 0 BDADLO Fc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccn[nH]1)C2 ZINC000581380796 345989382 /nfs/dbraw/zinc/98/93/82/345989382.db2.gz FWRIXIQSZUTMEE-LBPRGKRZSA-N 1 2 247.273 1.642 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ncccc1O ZINC000635790584 346070831 /nfs/dbraw/zinc/07/08/31/346070831.db2.gz HKOYDHYTTMRTCZ-VIFPVBQESA-N 1 2 235.287 1.210 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ncccc1O ZINC000635790584 346070835 /nfs/dbraw/zinc/07/08/35/346070835.db2.gz HKOYDHYTTMRTCZ-VIFPVBQESA-N 1 2 235.287 1.210 20 0 BDADLO O=C(NC1(C(F)F)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635898478 346105192 /nfs/dbraw/zinc/10/51/92/346105192.db2.gz CTRBRUPNAMEMDR-RNFRBKRXSA-N 1 2 241.241 1.427 20 0 BDADLO O=C(NC1(C(F)F)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635898478 346105194 /nfs/dbraw/zinc/10/51/94/346105194.db2.gz CTRBRUPNAMEMDR-RNFRBKRXSA-N 1 2 241.241 1.427 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CCCC2 ZINC000635821078 346076989 /nfs/dbraw/zinc/07/69/89/346076989.db2.gz UTMAWUUBMVWFBX-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CCCC2 ZINC000635821078 346076991 /nfs/dbraw/zinc/07/69/91/346076991.db2.gz UTMAWUUBMVWFBX-GHMZBOCLSA-N 1 2 245.326 1.916 20 0 BDADLO CC(C)C[C@H](C(=O)N1CC(C)C1)n1cc[nH+]c1 ZINC000635858061 346086764 /nfs/dbraw/zinc/08/67/64/346086764.db2.gz DNGYRNUSOZMKPY-GFCCVEGCSA-N 1 2 235.331 1.949 20 0 BDADLO CO[C@H](C)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635849517 346090034 /nfs/dbraw/zinc/09/00/34/346090034.db2.gz GMIQFZMNBNYUGQ-SNVBAGLBSA-N 1 2 247.298 1.407 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635874780 346095601 /nfs/dbraw/zinc/09/56/01/346095601.db2.gz IWOINWTXMRRGCZ-HTQZYQBOSA-N 1 2 223.251 1.084 20 0 BDADLO CC1(F)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635874780 346095602 /nfs/dbraw/zinc/09/56/02/346095602.db2.gz IWOINWTXMRRGCZ-HTQZYQBOSA-N 1 2 223.251 1.084 20 0 BDADLO O=C(Nc1cncc(F)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635890924 346103466 /nfs/dbraw/zinc/10/34/66/346103466.db2.gz CIJIRQOIAMSDSM-NXEZZACHSA-N 1 2 246.245 1.686 20 0 BDADLO O=C(Nc1cncc(F)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635890924 346103468 /nfs/dbraw/zinc/10/34/68/346103468.db2.gz CIJIRQOIAMSDSM-NXEZZACHSA-N 1 2 246.245 1.686 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccccn1 ZINC000169798193 346103576 /nfs/dbraw/zinc/10/35/76/346103576.db2.gz CGVIABPXGCFZHC-JTQLQIEISA-N 1 2 242.282 1.023 20 0 BDADLO CC(C)C[C@@H](C(=O)N[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000635910129 346107069 /nfs/dbraw/zinc/10/70/69/346107069.db2.gz VVCVZDBSULTNHJ-UTUOFQBUSA-N 1 2 235.331 1.995 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H](O)C2)c[nH+]1 ZINC000636007817 346149010 /nfs/dbraw/zinc/14/90/10/346149010.db2.gz ZOECVXIIKHWDTD-KLPPZKSPSA-N 1 2 234.299 1.086 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)o1 ZINC000628241765 346201270 /nfs/dbraw/zinc/20/12/70/346201270.db2.gz GNLLDQPGZPICNO-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)o1 ZINC000628241765 346201271 /nfs/dbraw/zinc/20/12/71/346201271.db2.gz GNLLDQPGZPICNO-KCJUWKMLSA-N 1 2 237.303 1.069 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H](O)[C@H](C)C2)[nH+]c1C ZINC000628242191 346202008 /nfs/dbraw/zinc/20/20/08/346202008.db2.gz UZLUNDCZSWHCPA-LDYMZIIASA-N 1 2 223.320 1.229 20 0 BDADLO CN(Cc1cnc(C2CC2)o1)Cc1[nH+]ccn1C ZINC000628234990 346188417 /nfs/dbraw/zinc/18/84/17/346188417.db2.gz VDRRSXOQNYJAMG-UHFFFAOYSA-N 1 2 246.314 1.918 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000034083811 346191473 /nfs/dbraw/zinc/19/14/73/346191473.db2.gz DBUNPJNOZPSMQB-UHFFFAOYSA-N 1 2 204.204 1.974 20 0 BDADLO Cc1c[nH]c(CN2C[C@H](O)Cc3ccccc32)[nH+]1 ZINC000628254149 346234964 /nfs/dbraw/zinc/23/49/64/346234964.db2.gz OVMDYCOCVWVGJO-GFCCVEGCSA-N 1 2 243.310 1.642 20 0 BDADLO CCc1cc(-n2c[nH+]c(CCCO)c2)ncn1 ZINC000603391270 349944114 /nfs/dbraw/zinc/94/41/14/349944114.db2.gz CDLJZAVESHUGHL-UHFFFAOYSA-N 1 2 232.287 1.150 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2cnn(C)c2C)[nH+]1 ZINC000628254459 346238597 /nfs/dbraw/zinc/23/85/97/346238597.db2.gz BXYXIUGSUYEELQ-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1F ZINC000125390003 179016876 /nfs/dbraw/zinc/01/68/76/179016876.db2.gz YDGKXWFDKPHXJX-UHFFFAOYSA-N 1 2 247.273 1.830 20 0 BDADLO Cc1[nH]c(CN(CCO)CC(F)F)[nH+]c1C ZINC000628256002 346253609 /nfs/dbraw/zinc/25/36/09/346253609.db2.gz FLRCDHIUOLMJJA-UHFFFAOYSA-N 1 2 233.262 1.086 20 0 BDADLO c1nc(C2CC2)oc1CNCC[N@H+]1CC=CCC1 ZINC000628256426 346254025 /nfs/dbraw/zinc/25/40/25/346254025.db2.gz WDMHQMJGUWSMKK-UHFFFAOYSA-N 1 2 247.342 1.904 20 0 BDADLO c1nc(C2CC2)oc1CNCC[N@@H+]1CC=CCC1 ZINC000628256426 346254032 /nfs/dbraw/zinc/25/40/32/346254032.db2.gz WDMHQMJGUWSMKK-UHFFFAOYSA-N 1 2 247.342 1.904 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccncc2N)[nH]1 ZINC000641743298 362669583 /nfs/dbraw/zinc/66/95/83/362669583.db2.gz MGGVHWAIDPAKMZ-MRVPVSSYSA-N 1 2 246.318 1.195 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628264752 346266116 /nfs/dbraw/zinc/26/61/16/346266116.db2.gz AKZHWVGARNHFEC-LBPRGKRZSA-N 1 2 240.278 1.458 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628264752 346266119 /nfs/dbraw/zinc/26/61/19/346266119.db2.gz AKZHWVGARNHFEC-LBPRGKRZSA-N 1 2 240.278 1.458 20 0 BDADLO Cc1cccc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000041532623 179020017 /nfs/dbraw/zinc/02/00/17/179020017.db2.gz UDMSOWIAEXVOPE-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO Cc1nc(N(C)CCC2CCCCC2)nc(N)[nH+]1 ZINC000631094763 346279512 /nfs/dbraw/zinc/27/95/12/346279512.db2.gz SKCIEVKPSLYGIN-UHFFFAOYSA-N 1 2 249.362 1.999 20 0 BDADLO Cc1nc(N)nc(N(C)CCC2CCCCC2)[nH+]1 ZINC000631094763 346279515 /nfs/dbraw/zinc/27/95/15/346279515.db2.gz SKCIEVKPSLYGIN-UHFFFAOYSA-N 1 2 249.362 1.999 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N1CCCCCC1 ZINC000641753617 362678295 /nfs/dbraw/zinc/67/82/95/362678295.db2.gz CFKWIZLHOLSPHE-UHFFFAOYSA-N 1 2 236.319 1.838 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N1CCCCCC1 ZINC000641753617 362678304 /nfs/dbraw/zinc/67/83/04/362678304.db2.gz CFKWIZLHOLSPHE-UHFFFAOYSA-N 1 2 236.319 1.838 20 0 BDADLO COCc1cc(CNc2cc(CO)cc[nH+]2)no1 ZINC000641761975 362693140 /nfs/dbraw/zinc/69/31/40/362693140.db2.gz ADWOHWUYQFYLEG-UHFFFAOYSA-N 1 2 249.270 1.320 20 0 BDADLO CC(C)n1ncnc1CNc1cc(CO)cc[nH+]1 ZINC000641762085 362685078 /nfs/dbraw/zinc/68/50/78/362685078.db2.gz DRVRCPPHNGBOPO-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636112337 346323337 /nfs/dbraw/zinc/32/33/37/346323337.db2.gz QKROVTCLJGPDKW-LZQZFOIKSA-N 1 2 245.326 1.818 20 0 BDADLO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636112337 346323338 /nfs/dbraw/zinc/32/33/38/346323338.db2.gz QKROVTCLJGPDKW-LZQZFOIKSA-N 1 2 245.326 1.818 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@]2(C)CC2(C)C)[nH+]1 ZINC000636228151 346361101 /nfs/dbraw/zinc/36/11/01/346361101.db2.gz MZFRPIDCJURVKH-ZDUSSCGKSA-N 1 2 235.331 1.819 20 0 BDADLO O=C(N[C@H]1CCCC12CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636302803 346385131 /nfs/dbraw/zinc/38/51/31/346385131.db2.gz KMVINHMIZKCRJJ-FOGDFJRCSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(N[C@H]1CCCC12CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636302803 346385135 /nfs/dbraw/zinc/38/51/35/346385135.db2.gz KMVINHMIZKCRJJ-FOGDFJRCSA-N 1 2 245.326 1.962 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2nnnn2C)c1C ZINC000354996483 179068314 /nfs/dbraw/zinc/06/83/14/179068314.db2.gz WWSACQLVNQPNQL-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2nnnn2C)c1C ZINC000354996483 179068316 /nfs/dbraw/zinc/06/83/16/179068316.db2.gz WWSACQLVNQPNQL-UHFFFAOYSA-N 1 2 245.330 1.459 20 0 BDADLO Cc1c(NCc2cn3ccccc3[nH+]2)nnn1C ZINC000641780364 362720889 /nfs/dbraw/zinc/72/08/89/362720889.db2.gz GIRCCVQLJUYJLB-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)O1 ZINC000636314477 346390233 /nfs/dbraw/zinc/39/02/33/346390233.db2.gz ZJOXGLIVSBPGAV-QGKZMRNZSA-N 1 2 249.314 1.195 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)O1 ZINC000636314477 346390237 /nfs/dbraw/zinc/39/02/37/346390237.db2.gz ZJOXGLIVSBPGAV-QGKZMRNZSA-N 1 2 249.314 1.195 20 0 BDADLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)n1 ZINC000336533620 179075804 /nfs/dbraw/zinc/07/58/04/179075804.db2.gz CKLIUKFULKYMSB-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)n1 ZINC000336533620 179075805 /nfs/dbraw/zinc/07/58/05/179075805.db2.gz CKLIUKFULKYMSB-ZDUSSCGKSA-N 1 2 247.342 1.346 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2ccon2)o1 ZINC000148772275 346436929 /nfs/dbraw/zinc/43/69/29/346436929.db2.gz BWDAIKVFWIENJE-UHFFFAOYSA-N 1 2 236.227 1.344 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679223993 488320947 /nfs/dbraw/zinc/32/09/47/488320947.db2.gz RRLOQNOVOYELKA-BJDJZHNGSA-N 1 2 244.354 1.970 20 0 BDADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679223993 488320948 /nfs/dbraw/zinc/32/09/48/488320948.db2.gz RRLOQNOVOYELKA-BJDJZHNGSA-N 1 2 244.354 1.970 20 0 BDADLO CCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170863954 346466434 /nfs/dbraw/zinc/46/64/34/346466434.db2.gz KLSLSJGKBRFCIH-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO CCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170863954 346466439 /nfs/dbraw/zinc/46/64/39/346466439.db2.gz KLSLSJGKBRFCIH-UHFFFAOYSA-N 1 2 242.363 1.404 20 0 BDADLO FC(F)CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000603416284 349963406 /nfs/dbraw/zinc/96/34/06/349963406.db2.gz OEXNZBMRGYZQKB-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO O=C(C[NH2+]Cc1ccon1)NC1CCCCC1 ZINC000148850630 346470756 /nfs/dbraw/zinc/47/07/56/346470756.db2.gz XEAPUVXJCUJLNI-UHFFFAOYSA-N 1 2 237.303 1.213 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC=CCC1 ZINC000636805587 349971060 /nfs/dbraw/zinc/97/10/60/349971060.db2.gz GOCMPVUXZPGBGU-SNVBAGLBSA-N 1 2 234.303 1.660 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](CC)OC)C(=O)OC ZINC000419207429 192103437 /nfs/dbraw/zinc/10/34/37/192103437.db2.gz OVQARDNLYAAIHF-CMPLNLGQSA-N 1 2 231.336 1.733 20 0 BDADLO C[C@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@H]1F ZINC000679226354 488322505 /nfs/dbraw/zinc/32/25/05/488322505.db2.gz UKMTXMNVWOYKMW-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO C[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1F ZINC000679226354 488322506 /nfs/dbraw/zinc/32/25/06/488322506.db2.gz UKMTXMNVWOYKMW-VHSXEESVSA-N 1 2 237.340 1.101 20 0 BDADLO COc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000186749035 346535940 /nfs/dbraw/zinc/53/59/40/346535940.db2.gz QNWBCQRYHHVHLC-UHFFFAOYSA-N 1 2 245.282 1.610 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000577116469 365822415 /nfs/dbraw/zinc/82/24/15/365822415.db2.gz CNOVGASPSGUASJ-SNVBAGLBSA-N 1 2 226.299 1.540 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCC[C@@H](F)C1 ZINC000577116469 365822420 /nfs/dbraw/zinc/82/24/20/365822420.db2.gz CNOVGASPSGUASJ-SNVBAGLBSA-N 1 2 226.299 1.540 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@@H]1F ZINC000679227179 488322322 /nfs/dbraw/zinc/32/23/22/488322322.db2.gz XDRHHXMCDIMACA-JQWIXIFHSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@@H]1F ZINC000679227179 488322323 /nfs/dbraw/zinc/32/23/23/488322323.db2.gz XDRHHXMCDIMACA-JQWIXIFHSA-N 1 2 242.338 1.583 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1cnccc1C ZINC000163272087 346552998 /nfs/dbraw/zinc/55/29/98/346552998.db2.gz SPVMQIJFBGXUNT-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1cnccc1C ZINC000163272087 346553002 /nfs/dbraw/zinc/55/30/02/346553002.db2.gz SPVMQIJFBGXUNT-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COC(=O)N1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000381656755 346588576 /nfs/dbraw/zinc/58/85/76/346588576.db2.gz FJHOANXUFXTGLX-UHFFFAOYSA-N 1 2 224.264 1.052 20 0 BDADLO CC[N@H+](CC(=O)N1CCC1)Cc1ccoc1 ZINC000588169093 346644944 /nfs/dbraw/zinc/64/49/44/346644944.db2.gz UYSQEQPARZDDHS-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO CC[N@@H+](CC(=O)N1CCC1)Cc1ccoc1 ZINC000588169093 346644946 /nfs/dbraw/zinc/64/49/46/346644946.db2.gz UYSQEQPARZDDHS-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCc1ccccc1 ZINC000037085301 346674335 /nfs/dbraw/zinc/67/43/35/346674335.db2.gz ATESVCBLWAUKLL-UHFFFAOYSA-N 1 2 221.300 1.770 20 0 BDADLO CCOCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000580205640 346664879 /nfs/dbraw/zinc/66/48/79/346664879.db2.gz BKJRSNFKOREWCM-UHFFFAOYSA-N 1 2 239.319 1.578 20 0 BDADLO CC[C@@H](CO)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000577147993 365836861 /nfs/dbraw/zinc/83/68/61/365836861.db2.gz PAUWSNZITALWSC-VIFPVBQESA-N 1 2 246.314 1.249 20 0 BDADLO C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000188051652 346712738 /nfs/dbraw/zinc/71/27/38/346712738.db2.gz UAJHCISCJJTNEP-NQBHXWOUSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)NC(=O)C[NH2+]Cc1n[nH]c2ccccc12 ZINC000589636662 346721337 /nfs/dbraw/zinc/72/13/37/346721337.db2.gz LXSYZDAXOCHMRT-UHFFFAOYSA-N 1 2 246.314 1.177 20 0 BDADLO Cc1cc(C)c(NC(=O)c2ccn(C)n2)c(C)[nH+]1 ZINC000589299362 346686416 /nfs/dbraw/zinc/68/64/16/346686416.db2.gz NGKFKQVBJMEXSI-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO CC1(C)CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000580232188 346792033 /nfs/dbraw/zinc/79/20/33/346792033.db2.gz YCWYAQXZYLOOJU-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](O)C(C)(C)C1 ZINC000387879265 347116640 /nfs/dbraw/zinc/11/66/40/347116640.db2.gz CUMYJKLKDZFAOS-JTQLQIEISA-N 1 2 222.288 1.297 20 0 BDADLO Cc1nc(N2CC(C)(F)C2)c(C)c(C)[nH+]1 ZINC000684592567 488329586 /nfs/dbraw/zinc/32/95/86/488329586.db2.gz MMRMMGQCDANHRZ-UHFFFAOYSA-N 1 2 209.268 1.950 20 0 BDADLO Cc1cccc(OC[C@H](O)Cn2cc[nH+]c2)c1 ZINC000005612585 179172085 /nfs/dbraw/zinc/17/20/85/179172085.db2.gz ZDKBLENGQSSHFJ-GFCCVEGCSA-N 1 2 232.283 1.631 20 0 BDADLO CCOC(=O)C1(C)CC([NH2+]Cc2ccn[nH]2)C1 ZINC000601267578 347129174 /nfs/dbraw/zinc/12/91/74/347129174.db2.gz NEVUBTNXVVLVRM-UHFFFAOYSA-N 1 2 237.303 1.231 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000388080588 347183616 /nfs/dbraw/zinc/18/36/16/347183616.db2.gz RWAADTKVXZTQJC-SECBINFHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1 ZINC000388080588 347183619 /nfs/dbraw/zinc/18/36/19/347183619.db2.gz RWAADTKVXZTQJC-SECBINFHSA-N 1 2 239.319 1.396 20 0 BDADLO Cc1cccc(CC[N@@H+](C)Cc2nncn2C)n1 ZINC000563052227 347215276 /nfs/dbraw/zinc/21/52/76/347215276.db2.gz IFAJCLBHHQCYIC-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1cccc(CC[N@H+](C)Cc2nncn2C)n1 ZINC000563052227 347215278 /nfs/dbraw/zinc/21/52/78/347215278.db2.gz IFAJCLBHHQCYIC-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC1CCC1)CC2 ZINC000624021747 347235064 /nfs/dbraw/zinc/23/50/64/347235064.db2.gz TUSPIEPDPFOKRT-GFCCVEGCSA-N 1 2 247.342 1.670 20 0 BDADLO CCc1nnc(C[NH2+]Cc2oc(C)nc2C)[nH]1 ZINC000628297193 347246120 /nfs/dbraw/zinc/24/61/20/347246120.db2.gz NDOYXIOTNNLCOK-UHFFFAOYSA-N 1 2 235.291 1.262 20 0 BDADLO CO[C@@H]([C@@H](C)Nc1cc[nH+]c(C)n1)C1CC1 ZINC000388301318 347301044 /nfs/dbraw/zinc/30/10/44/347301044.db2.gz NQSUPVDEYRCLMI-PELKAZGASA-N 1 2 221.304 1.432 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335883692 347357852 /nfs/dbraw/zinc/35/78/52/347357852.db2.gz HNPVYEPOGDJWMH-VIFPVBQESA-N 1 2 221.304 1.602 20 0 BDADLO CC(C)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335883692 347357856 /nfs/dbraw/zinc/35/78/56/347357856.db2.gz HNPVYEPOGDJWMH-VIFPVBQESA-N 1 2 221.304 1.602 20 0 BDADLO CCN1CCC[N@H+](Cc2ccccn2)CC1=O ZINC000190185902 347322508 /nfs/dbraw/zinc/32/25/08/347322508.db2.gz AWEZGTAPOCATDX-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccccn2)CC1=O ZINC000190185902 347322515 /nfs/dbraw/zinc/32/25/15/347322515.db2.gz AWEZGTAPOCATDX-UHFFFAOYSA-N 1 2 233.315 1.136 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC(C)(C)F ZINC000618410207 347411515 /nfs/dbraw/zinc/41/15/15/347411515.db2.gz BHRFJLYHNJZXQJ-UHFFFAOYSA-N 1 2 227.283 1.217 20 0 BDADLO C[N@@H+](Cc1ncccn1)C[C@@H]1CCCO1 ZINC000191950149 347364064 /nfs/dbraw/zinc/36/40/64/347364064.db2.gz CRQXDAGEQANUCE-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO C[N@H+](Cc1ncccn1)C[C@@H]1CCCO1 ZINC000191950149 347364066 /nfs/dbraw/zinc/36/40/66/347364066.db2.gz CRQXDAGEQANUCE-JTQLQIEISA-N 1 2 207.277 1.087 20 0 BDADLO CC(C)(F)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000618411345 347414082 /nfs/dbraw/zinc/41/40/82/347414082.db2.gz AYRXRUFACYHOJO-UHFFFAOYSA-N 1 2 241.310 1.942 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccco1 ZINC000616925721 347457526 /nfs/dbraw/zinc/45/75/26/347457526.db2.gz OFUUXYVJWWWZFF-SECBINFHSA-N 1 2 233.271 1.765 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccco1 ZINC000616925721 347457530 /nfs/dbraw/zinc/45/75/30/347457530.db2.gz OFUUXYVJWWWZFF-SECBINFHSA-N 1 2 233.271 1.765 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1CCCC1 ZINC000616922309 347452147 /nfs/dbraw/zinc/45/21/47/347452147.db2.gz XGUGYAFZQXGQCT-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1CCCC1 ZINC000616922309 347452149 /nfs/dbraw/zinc/45/21/49/347452149.db2.gz XGUGYAFZQXGQCT-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924429 347454317 /nfs/dbraw/zinc/45/43/17/347454317.db2.gz JHKYIXOKZZCKSE-JTQLQIEISA-N 1 2 239.319 1.429 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924429 347454318 /nfs/dbraw/zinc/45/43/18/347454318.db2.gz JHKYIXOKZZCKSE-JTQLQIEISA-N 1 2 239.319 1.429 20 0 BDADLO CC(C)c1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)[nH]n1 ZINC000616923769 347454917 /nfs/dbraw/zinc/45/49/17/347454917.db2.gz TWLSAAXLYGIFRF-UHFFFAOYSA-N 1 2 247.302 1.528 20 0 BDADLO CCO[C@@H](CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924619 347456344 /nfs/dbraw/zinc/45/63/44/347456344.db2.gz QDNZMEQXOFRLTC-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO CCO[C@@H](CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924619 347456346 /nfs/dbraw/zinc/45/63/46/347456346.db2.gz QDNZMEQXOFRLTC-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO Cc1ncc(NC(=O)CCCn2cc[nH+]c2)cn1 ZINC000590676760 347488942 /nfs/dbraw/zinc/48/89/42/347488942.db2.gz FWNYDQNBCVEKBA-UHFFFAOYSA-N 1 2 245.286 1.400 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928486 347494737 /nfs/dbraw/zinc/49/47/37/347494737.db2.gz BFMUMAJBDNPMHP-PSASIEDQSA-N 1 2 207.277 1.414 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928486 347494740 /nfs/dbraw/zinc/49/47/40/347494740.db2.gz BFMUMAJBDNPMHP-PSASIEDQSA-N 1 2 207.277 1.414 20 0 BDADLO CO[C@](C)(C(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616928688 347494834 /nfs/dbraw/zinc/49/48/34/347494834.db2.gz JCQBPWIEWDDCLP-LBPRGKRZSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@](C)(C(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616928688 347494835 /nfs/dbraw/zinc/49/48/35/347494835.db2.gz JCQBPWIEWDDCLP-LBPRGKRZSA-N 1 2 237.303 1.183 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725814 347495878 /nfs/dbraw/zinc/49/58/78/347495878.db2.gz WWZFTLWRSMVCBY-QWRGUYRKSA-N 1 2 237.303 1.082 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929060 347495932 /nfs/dbraw/zinc/49/59/32/347495932.db2.gz RPGNPDSSXTTYLV-MWLCHTKSSA-N 1 2 221.304 1.804 20 0 BDADLO CCC[C@@H]1C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929060 347495935 /nfs/dbraw/zinc/49/59/35/347495935.db2.gz RPGNPDSSXTTYLV-MWLCHTKSSA-N 1 2 221.304 1.804 20 0 BDADLO O=C(CC1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590731065 347497347 /nfs/dbraw/zinc/49/73/47/347497347.db2.gz VZRICPWICGOAHT-GFCCVEGCSA-N 1 2 233.315 1.847 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1CCOCC1 ZINC000616925911 347458488 /nfs/dbraw/zinc/45/84/88/347458488.db2.gz VLMVGMRKQCGSNE-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1CCOCC1 ZINC000616925911 347458492 /nfs/dbraw/zinc/45/84/92/347458492.db2.gz VLMVGMRKQCGSNE-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CC[C@H](C[NH2+][C@](C)(CC)C(=O)OC)OC ZINC000419225215 192106985 /nfs/dbraw/zinc/10/69/85/192106985.db2.gz GUAVGYHTUMGLON-MWLCHTKSSA-N 1 2 217.309 1.343 20 0 BDADLO CCOC(=O)[C@@H](CC)N1CCn2c[nH+]cc2C1 ZINC000590599045 347479320 /nfs/dbraw/zinc/47/93/20/347479320.db2.gz FHSCVAJOXOMZIS-LLVKDONJSA-N 1 2 237.303 1.040 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H](F)C2)c(C)o1 ZINC000590755724 347505079 /nfs/dbraw/zinc/50/50/79/347505079.db2.gz OQZMJTHOQGJWTK-SNVBAGLBSA-N 1 2 241.262 1.918 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@@H](F)C2)c(C)o1 ZINC000590755724 347505081 /nfs/dbraw/zinc/50/50/81/347505081.db2.gz OQZMJTHOQGJWTK-SNVBAGLBSA-N 1 2 241.262 1.918 20 0 BDADLO Nc1nc(N[C@H]2CC[C@@H](F)C2)[nH+]c2ccccc12 ZINC000577242325 365896916 /nfs/dbraw/zinc/89/69/16/365896916.db2.gz BHERHIKEEDXTBT-BDAKNGLRSA-N 1 2 246.289 1.767 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000590737520 347502187 /nfs/dbraw/zinc/50/21/87/347502187.db2.gz SCIPYYRTOSFWSZ-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO COc1ccsc1C[NH+]1CCOCC1 ZINC000196371360 347502383 /nfs/dbraw/zinc/50/23/83/347502383.db2.gz LHZKJLXLPIMUNY-UHFFFAOYSA-N 1 2 213.302 1.589 20 0 BDADLO O=C(NCC1CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590849963 347573799 /nfs/dbraw/zinc/57/37/99/347573799.db2.gz LMVXHVNKKYAJKV-GFCCVEGCSA-N 1 2 248.330 1.640 20 0 BDADLO Cc1ccccc1C[N@@H+](C)Cc1nnnn1C ZINC000354994557 179270710 /nfs/dbraw/zinc/27/07/10/179270710.db2.gz RAIMBLGTZREKIO-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1ccccc1C[N@H+](C)Cc1nnnn1C ZINC000354994557 179270712 /nfs/dbraw/zinc/27/07/12/179270712.db2.gz RAIMBLGTZREKIO-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCn1cc(NC(=O)CCCn2cc[nH+]c2)cn1 ZINC000591133602 347624730 /nfs/dbraw/zinc/62/47/30/347624730.db2.gz NTWHISXIWZOGFV-UHFFFAOYSA-N 1 2 247.302 1.518 20 0 BDADLO COC[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC000591161431 347627186 /nfs/dbraw/zinc/62/71/86/347627186.db2.gz KLNDOTWRCMBQSM-LLVKDONJSA-N 1 2 239.319 1.062 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000198399474 347636138 /nfs/dbraw/zinc/63/61/38/347636138.db2.gz KALMKPNQMMMAGR-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000198399474 347636139 /nfs/dbraw/zinc/63/61/39/347636139.db2.gz KALMKPNQMMMAGR-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(C)(C)C ZINC000591845339 347706479 /nfs/dbraw/zinc/70/64/79/347706479.db2.gz NYGLOSFKWUVGJM-GHMZBOCLSA-N 1 2 243.347 1.589 20 0 BDADLO COC(=O)C[N@H+](CC1=CCCC1)C1CC1 ZINC000592071014 347727719 /nfs/dbraw/zinc/72/77/19/347727719.db2.gz CEYKXEQBEIUCLP-UHFFFAOYSA-N 1 2 209.289 1.734 20 0 BDADLO COC(=O)C[N@@H+](CC1=CCCC1)C1CC1 ZINC000592071014 347727720 /nfs/dbraw/zinc/72/77/20/347727720.db2.gz CEYKXEQBEIUCLP-UHFFFAOYSA-N 1 2 209.289 1.734 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000493352299 347739187 /nfs/dbraw/zinc/73/91/87/347739187.db2.gz MQSHRNSJKUZNLC-KBIXYVOKSA-N 1 2 231.299 1.728 20 0 BDADLO CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)C(=O)OC ZINC000592445277 347779998 /nfs/dbraw/zinc/77/99/98/347779998.db2.gz HGHMIOOAZUYCFZ-AXFHLTTASA-N 1 2 243.347 1.874 20 0 BDADLO CC[N@H+](CCSC)Cc1noc(C)n1 ZINC000592202419 347753666 /nfs/dbraw/zinc/75/36/66/347753666.db2.gz JEHLHAKYVNPWNJ-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CC[N@@H+](CCSC)Cc1noc(C)n1 ZINC000592202419 347753668 /nfs/dbraw/zinc/75/36/68/347753668.db2.gz JEHLHAKYVNPWNJ-UHFFFAOYSA-N 1 2 215.322 1.563 20 0 BDADLO CCc1nnc(C[N@H+](CC)CCSC)[nH]1 ZINC000592204618 347757139 /nfs/dbraw/zinc/75/71/39/347757139.db2.gz URXOUKMIJNGLBP-UHFFFAOYSA-N 1 2 228.365 1.552 20 0 BDADLO CCc1nnc(C[N@@H+](CC)CCSC)[nH]1 ZINC000592204618 347757142 /nfs/dbraw/zinc/75/71/42/347757142.db2.gz URXOUKMIJNGLBP-UHFFFAOYSA-N 1 2 228.365 1.552 20 0 BDADLO CCOC[C@@H](C)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC000592524808 347795121 /nfs/dbraw/zinc/79/51/21/347795121.db2.gz DMUXJQLAYJHJBY-MNOVXSKESA-N 1 2 245.363 1.979 20 0 BDADLO FC(F)O[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000679679908 488363860 /nfs/dbraw/zinc/36/38/60/488363860.db2.gz FEDJVNKFCJIEOR-MRVPVSSYSA-N 1 2 231.246 1.613 20 0 BDADLO COC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594039979 347994818 /nfs/dbraw/zinc/99/48/18/347994818.db2.gz DCZCESWSPQGMMX-JTQLQIEISA-N 1 2 245.319 1.115 20 0 BDADLO CC[C@@H]([NH2+]CCc1cnccc1C)C(=O)OC ZINC000594711915 348104384 /nfs/dbraw/zinc/10/43/84/348104384.db2.gz OBUXCQQTIOWGNO-GFCCVEGCSA-N 1 2 236.315 1.474 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000594615537 348084214 /nfs/dbraw/zinc/08/42/14/348084214.db2.gz WFDWGXDUKABADC-XHNCKOQMSA-N 1 2 217.334 1.422 20 0 BDADLO Cc1cccnc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000267328637 179365177 /nfs/dbraw/zinc/36/51/77/179365177.db2.gz HGUSBUWYUZAOLY-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cscn1 ZINC000308833622 323179677 /nfs/dbraw/zinc/17/96/77/323179677.db2.gz HEJPZAKWTCRLAI-JGVFFNPUSA-N 1 2 248.373 1.227 20 0 BDADLO COC[C@@](C)([NH2+]CCC1CCC1)C(=O)OC ZINC000595406038 348239734 /nfs/dbraw/zinc/23/97/34/348239734.db2.gz GPVPBUKVOGKVSX-GFCCVEGCSA-N 1 2 229.320 1.344 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]CCC(C)(C)C1CC1 ZINC000595534312 348275598 /nfs/dbraw/zinc/27/55/98/348275598.db2.gz SOORBNSGFNHMJJ-CYBMUJFWSA-N 1 2 243.347 1.326 20 0 BDADLO COC(=O)C12CC(C1)C[N@@H+]2CCc1cccnc1 ZINC000595682506 348312433 /nfs/dbraw/zinc/31/24/33/348312433.db2.gz JRANYZWKERKWFR-UHFFFAOYSA-N 1 2 246.310 1.262 20 0 BDADLO COC(=O)C12CC(C1)C[N@H+]2CCc1cccnc1 ZINC000595682506 348312436 /nfs/dbraw/zinc/31/24/36/348312436.db2.gz JRANYZWKERKWFR-UHFFFAOYSA-N 1 2 246.310 1.262 20 0 BDADLO COC(=O)[C@@](C)(CCF)[NH2+][C@H]1C=CCCC1 ZINC000595769506 348335997 /nfs/dbraw/zinc/33/59/97/348335997.db2.gz MXMIIGUDZAWPSV-CMPLNLGQSA-N 1 2 229.295 1.976 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCC[C@H](C)O ZINC000595776163 348338780 /nfs/dbraw/zinc/33/87/80/348338780.db2.gz REVAMIIOKCPAGW-ONGXEEELSA-N 1 2 235.299 1.028 20 0 BDADLO COC(=O)c1cnoc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595813213 348352250 /nfs/dbraw/zinc/35/22/50/348352250.db2.gz ZAGPZYKVNOZPDD-IUCAKERBSA-N 1 2 236.271 1.303 20 0 BDADLO COC(=O)c1cnoc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595813213 348352252 /nfs/dbraw/zinc/35/22/52/348352252.db2.gz ZAGPZYKVNOZPDD-IUCAKERBSA-N 1 2 236.271 1.303 20 0 BDADLO CC[C@H](C[N@@H+](CC(F)F)C[C@@H](C)O)OC ZINC000419283444 192123307 /nfs/dbraw/zinc/12/33/07/192123307.db2.gz NCWPUTXSZBBMBX-RKDXNWHRSA-N 1 2 225.279 1.359 20 0 BDADLO CC[C@H](C[N@H+](CC(F)F)C[C@@H](C)O)OC ZINC000419283444 192123309 /nfs/dbraw/zinc/12/33/09/192123309.db2.gz NCWPUTXSZBBMBX-RKDXNWHRSA-N 1 2 225.279 1.359 20 0 BDADLO CCOC(=O)C[NH2+]C1(COC)CCCCC1 ZINC000595911899 348399107 /nfs/dbraw/zinc/39/91/07/348399107.db2.gz UEYJHJFREOIBQG-UHFFFAOYSA-N 1 2 229.320 1.488 20 0 BDADLO COCC1([NH2+]CC(=O)OC)CCCCC1 ZINC000595911636 348399134 /nfs/dbraw/zinc/39/91/34/348399134.db2.gz QRRIZSGOPGEJMI-UHFFFAOYSA-N 1 2 215.293 1.098 20 0 BDADLO CC[C@@H]([NH2+]C[C@@H](OC)C1CCCC1)C(=O)OC ZINC000596049391 348428503 /nfs/dbraw/zinc/42/85/03/348428503.db2.gz ZMXFKHILQSMJFT-VXGBXAGGSA-N 1 2 243.347 1.733 20 0 BDADLO CCSC1(C[NH2+][C@H](C(=O)OC)C2CC2)CC1 ZINC000596045123 348428536 /nfs/dbraw/zinc/42/85/36/348428536.db2.gz ITFSIURYJJOWFC-JTQLQIEISA-N 1 2 243.372 1.813 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCCc1ccco1)C1CC1 ZINC000596045169 348428925 /nfs/dbraw/zinc/42/89/25/348428925.db2.gz AOHJVYFYWDWEQQ-LBPRGKRZSA-N 1 2 237.299 1.753 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC[C@@H]2C[C@H]2C)c1 ZINC000596078480 348439495 /nfs/dbraw/zinc/43/94/95/348439495.db2.gz QXBSGKCTABLORU-KOLCDFICSA-N 1 2 234.299 1.865 20 0 BDADLO Cc1cc(N2C[C@@H](C)C[C@H](CO)C2)nc[nH+]1 ZINC000398624268 323187388 /nfs/dbraw/zinc/18/73/88/323187388.db2.gz LJYDMDKBKAZHDL-ONGXEEELSA-N 1 2 221.304 1.240 20 0 BDADLO Cc1ccncc1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336563669 179492783 /nfs/dbraw/zinc/49/27/83/179492783.db2.gz QUJGXTJUMZRZLD-MRVPVSSYSA-N 1 2 241.241 1.326 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2CC1(C)C2 ZINC000621218091 348527302 /nfs/dbraw/zinc/52/73/02/348527302.db2.gz TZXQGNFLMCJHKH-JBLZRFIASA-N 1 2 233.315 1.599 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2CC1(C)C2 ZINC000621218091 348527303 /nfs/dbraw/zinc/52/73/03/348527303.db2.gz TZXQGNFLMCJHKH-JBLZRFIASA-N 1 2 233.315 1.599 20 0 BDADLO CCSCC[N@H+]1CCCc2[nH]ncc2C1 ZINC000596597435 348589416 /nfs/dbraw/zinc/58/94/16/348589416.db2.gz RZMOGGWIIDLHIB-UHFFFAOYSA-N 1 2 225.361 1.911 20 0 BDADLO COC(=O)[C@@H](C)NCc1[nH+]ccn1C(C)C ZINC000597118308 348663704 /nfs/dbraw/zinc/66/37/04/348663704.db2.gz WLQZRTNHMDJKAM-SECBINFHSA-N 1 2 225.292 1.115 20 0 BDADLO CC(C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000299562140 352539341 /nfs/dbraw/zinc/53/93/41/352539341.db2.gz GCZYIKZVABOREZ-UHFFFAOYSA-N 1 2 209.293 1.388 20 0 BDADLO CC(C)COCCC(=O)NCCn1cc[nH+]c1 ZINC000042884171 348738753 /nfs/dbraw/zinc/73/87/53/348738753.db2.gz RPHHKPUJOSZMQX-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO COC[C@H](C)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000597212705 348680757 /nfs/dbraw/zinc/68/07/57/348680757.db2.gz AHCMFZOWYMBVOU-MWLCHTKSSA-N 1 2 235.299 1.150 20 0 BDADLO CS[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863214 348835926 /nfs/dbraw/zinc/83/59/26/348835926.db2.gz LATXDFUXFJIRFV-SSDOTTSWSA-N 1 2 213.306 1.120 20 0 BDADLO CS[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863214 348835932 /nfs/dbraw/zinc/83/59/32/348835932.db2.gz LATXDFUXFJIRFV-SSDOTTSWSA-N 1 2 213.306 1.120 20 0 BDADLO CSCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459186 348976576 /nfs/dbraw/zinc/97/65/76/348976576.db2.gz DUZICRMOVCJQNX-VIFPVBQESA-N 1 2 241.360 1.741 20 0 BDADLO CSC[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460754 348977488 /nfs/dbraw/zinc/97/74/88/348977488.db2.gz XFGLYVDIRGAVER-BDAKNGLRSA-N 1 2 241.360 1.596 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC12CC2 ZINC000421751819 192379666 /nfs/dbraw/zinc/37/96/66/192379666.db2.gz OBRFKSWHHIVTRW-NSHDSACASA-N 1 2 245.326 1.564 20 0 BDADLO CC(C)(C)[N@H+](CC(N)=O)Cc1cncs1 ZINC000093759268 538022859 /nfs/dbraw/zinc/02/28/59/538022859.db2.gz KWHDRSMNZBZKAW-UHFFFAOYSA-N 1 2 227.333 1.229 20 0 BDADLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cncs1 ZINC000093759268 538022864 /nfs/dbraw/zinc/02/28/64/538022864.db2.gz KWHDRSMNZBZKAW-UHFFFAOYSA-N 1 2 227.333 1.229 20 0 BDADLO CC[C@H](SC)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942425 349062861 /nfs/dbraw/zinc/06/28/61/349062861.db2.gz AGWIVGXIPPZGHH-WPRPVWTQSA-N 1 2 239.344 1.066 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCCC[N@H+]2C)s1 ZINC000599296764 349149879 /nfs/dbraw/zinc/14/98/79/349149879.db2.gz JJAAREFFHIRYBX-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO Cc1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC000599296764 349149881 /nfs/dbraw/zinc/14/98/81/349149881.db2.gz JJAAREFFHIRYBX-VIFPVBQESA-N 1 2 239.344 1.874 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cccc(C(N)=O)c1 ZINC000599207725 349119322 /nfs/dbraw/zinc/11/93/22/349119322.db2.gz XWCPPALTLOZYSP-UHFFFAOYSA-N 1 2 244.298 1.141 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247596812 349119546 /nfs/dbraw/zinc/11/95/46/349119546.db2.gz SODUBLDXHFJXIC-MXWKQRLJSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247596812 349119551 /nfs/dbraw/zinc/11/95/51/349119551.db2.gz SODUBLDXHFJXIC-MXWKQRLJSA-N 1 2 229.320 1.437 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000249094325 349154965 /nfs/dbraw/zinc/15/49/65/349154965.db2.gz LLJNSLQUHZNHRY-UTINFBMNSA-N 1 2 215.293 1.094 20 0 BDADLO CCC[C@H](C)CCC[NH2+][C@](C)(CO)C(=O)OC ZINC000599436160 349175877 /nfs/dbraw/zinc/17/58/77/349175877.db2.gz BNBXRRTWJJGDQR-WCQYABFASA-N 1 2 245.363 1.716 20 0 BDADLO CCC[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599652947 349234146 /nfs/dbraw/zinc/23/41/46/349234146.db2.gz ROBLHWBSQZZMSH-JTQLQIEISA-N 1 2 245.363 1.857 20 0 BDADLO COC(=O)[C@@H]1CCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000600106399 349288305 /nfs/dbraw/zinc/28/83/05/349288305.db2.gz YSHSAIWEBOQFAW-JTQLQIEISA-N 1 2 237.303 1.164 20 0 BDADLO O=C([O-])c1ccc[nH+]c1NCCCn1cc[nH+]c1 ZINC000020304778 349427233 /nfs/dbraw/zinc/42/72/33/349427233.db2.gz SNBSSAVFFPNFRG-UHFFFAOYSA-N 1 2 246.270 1.479 20 0 BDADLO CC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000367413978 191000213 /nfs/dbraw/zinc/00/02/13/191000213.db2.gz YCQNBIFAMPAXLR-UHFFFAOYSA-N 1 2 229.283 1.723 20 0 BDADLO CCO[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785456 350032801 /nfs/dbraw/zinc/03/28/01/350032801.db2.gz PFOYZZMUTRSBMI-SECBINFHSA-N 1 2 233.271 1.698 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccoc1 ZINC000309123791 350077617 /nfs/dbraw/zinc/07/76/17/350077617.db2.gz OUXMUDXDNCFRAM-SECBINFHSA-N 1 2 203.245 1.920 20 0 BDADLO Cc1nc(C[NH2+]Cc2cnn(C)c2)cs1 ZINC000040445418 179968999 /nfs/dbraw/zinc/96/89/99/179968999.db2.gz CLSOFZWTVQIZQO-UHFFFAOYSA-N 1 2 222.317 1.475 20 0 BDADLO CC(C)OCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603917141 350055886 /nfs/dbraw/zinc/05/58/86/350055886.db2.gz GULNYPWLMPJUQM-UHFFFAOYSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000330263194 180034781 /nfs/dbraw/zinc/03/47/81/180034781.db2.gz WEVULTYWBWJNSO-BXKDBHETSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@]3(CCOC3)C2)no1 ZINC000330263194 180034787 /nfs/dbraw/zinc/03/47/87/180034787.db2.gz WEVULTYWBWJNSO-BXKDBHETSA-N 1 2 237.303 1.551 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)no1 ZINC000329171284 180038378 /nfs/dbraw/zinc/03/83/78/180038378.db2.gz JZOQKSLTDVUIOF-ZXFLCMHBSA-N 1 2 211.265 1.206 20 0 BDADLO Cc1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329739278 180044795 /nfs/dbraw/zinc/04/47/95/180044795.db2.gz UTLYQIREPITEDI-UWVGGRQHSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329739278 180044797 /nfs/dbraw/zinc/04/47/97/180044797.db2.gz UTLYQIREPITEDI-UWVGGRQHSA-N 1 2 223.276 1.304 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccon3)C2)no1 ZINC000369586549 180054671 /nfs/dbraw/zinc/05/46/71/180054671.db2.gz YNNJLIMAPZSWFA-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccon3)C2)no1 ZINC000369586549 180054674 /nfs/dbraw/zinc/05/46/74/180054674.db2.gz YNNJLIMAPZSWFA-JTQLQIEISA-N 1 2 248.286 1.746 20 0 BDADLO Cc1nc(NC[C@H](C)O)c2c([nH+]1)CCCC2 ZINC000272823858 180069851 /nfs/dbraw/zinc/06/98/51/180069851.db2.gz FSARBCNBJQHGMB-QMMMGPOBSA-N 1 2 221.304 1.457 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC(C)(C)C)C2 ZINC000371331925 180110434 /nfs/dbraw/zinc/11/04/34/180110434.db2.gz LRYRHOKTJGRNNL-UHFFFAOYSA-N 1 2 208.309 1.448 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC(C)(C)C)C2 ZINC000371331925 180110436 /nfs/dbraw/zinc/11/04/36/180110436.db2.gz LRYRHOKTJGRNNL-UHFFFAOYSA-N 1 2 208.309 1.448 20 0 BDADLO Cc1nc(NC[C@@H](O)C(C)(C)C)cc[nH+]1 ZINC000309188566 350159597 /nfs/dbraw/zinc/15/95/97/350159597.db2.gz PGXYQTXXRXLXTK-SECBINFHSA-N 1 2 209.293 1.604 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000093417700 191038532 /nfs/dbraw/zinc/03/85/32/191038532.db2.gz LUAQHLSJLMEYKL-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000093417700 191038533 /nfs/dbraw/zinc/03/85/33/191038533.db2.gz LUAQHLSJLMEYKL-WDEREUQCSA-N 1 2 223.320 1.338 20 0 BDADLO CCC[N@H+](CCn1cccn1)CC(F)F ZINC000133274866 191039054 /nfs/dbraw/zinc/03/90/54/191039054.db2.gz MMVSVFGRCAFQHN-UHFFFAOYSA-N 1 2 217.263 1.860 20 0 BDADLO CCC[N@@H+](CCn1cccn1)CC(F)F ZINC000133274866 191039055 /nfs/dbraw/zinc/03/90/55/191039055.db2.gz MMVSVFGRCAFQHN-UHFFFAOYSA-N 1 2 217.263 1.860 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c[nH+]1 ZINC000333088778 180133952 /nfs/dbraw/zinc/13/39/52/180133952.db2.gz SDSGLCSLWFVQEW-IQJOONFLSA-N 1 2 235.287 1.015 20 0 BDADLO Cc1ncc(C[N@@H+](C)CC(=O)NC(C)C)s1 ZINC000052100828 180136614 /nfs/dbraw/zinc/13/66/14/180136614.db2.gz JXBFOIIXSPFZNO-UHFFFAOYSA-N 1 2 241.360 1.408 20 0 BDADLO Cc1ncc(C[N@H+](C)CC(=O)NC(C)C)s1 ZINC000052100828 180136616 /nfs/dbraw/zinc/13/66/16/180136616.db2.gz JXBFOIIXSPFZNO-UHFFFAOYSA-N 1 2 241.360 1.408 20 0 BDADLO Cc1ncc(C[N@@H+](C)[C@H]2CCN(C)C2=O)s1 ZINC000172019378 180140672 /nfs/dbraw/zinc/14/06/72/180140672.db2.gz NEFXTGZBLOBXHU-JTQLQIEISA-N 1 2 239.344 1.114 20 0 BDADLO Cc1ncc(C[N@H+](C)[C@H]2CCN(C)C2=O)s1 ZINC000172019378 180140676 /nfs/dbraw/zinc/14/06/76/180140676.db2.gz NEFXTGZBLOBXHU-JTQLQIEISA-N 1 2 239.344 1.114 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@]1(C)C(C)C ZINC000333713834 180118599 /nfs/dbraw/zinc/11/85/99/180118599.db2.gz GUWIGBKEOIDRSL-AAEUAGOBSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@@]1(C)C(C)C ZINC000333713834 180118604 /nfs/dbraw/zinc/11/86/04/180118604.db2.gz GUWIGBKEOIDRSL-AAEUAGOBSA-N 1 2 235.331 1.811 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000336563032 180118853 /nfs/dbraw/zinc/11/88/53/180118853.db2.gz RDSXXIORKKFEHL-NXEZZACHSA-N 1 2 235.331 1.765 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000333505634 180120149 /nfs/dbraw/zinc/12/01/49/180120149.db2.gz DFLNPWSVNWANOT-VWYCJHECSA-N 1 2 233.315 1.771 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000408118997 180120474 /nfs/dbraw/zinc/12/04/74/180120474.db2.gz ZEEHNHKUYKOKBX-WCBMZHEXSA-N 1 2 237.303 1.149 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc[nH]c1C1CC1 ZINC000339903944 180120496 /nfs/dbraw/zinc/12/04/96/180120496.db2.gz BIQQNTFKASNFLD-UHFFFAOYSA-N 1 2 244.298 1.854 20 0 BDADLO Cc1n[nH]cc1CNc1cc[nH+]c(C)n1 ZINC000054935980 180200547 /nfs/dbraw/zinc/20/05/47/180200547.db2.gz PSXYSMREEOEZDV-UHFFFAOYSA-N 1 2 203.249 1.429 20 0 BDADLO Cc1nc(N[C@@H](CO)CC(F)F)cc[nH+]1 ZINC000336737554 180202783 /nfs/dbraw/zinc/20/27/83/180202783.db2.gz QGGSMAHISVIJBY-SSDOTTSWSA-N 1 2 217.219 1.213 20 0 BDADLO Cc1ocnc1CNc1cc[nH+]c(C)n1 ZINC000271281425 180202789 /nfs/dbraw/zinc/20/27/89/180202789.db2.gz CNIHJQMIVXHGNB-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO Cc1nc(N[C@@H]2CCOC2(C)C)cc[nH+]1 ZINC000295901753 180203084 /nfs/dbraw/zinc/20/30/84/180203084.db2.gz CQZGVPXNWWXJQI-SECBINFHSA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(NCc2nccn2C)cc[nH+]1 ZINC000070853808 180203268 /nfs/dbraw/zinc/20/32/68/180203268.db2.gz PBVNHASXTAULNI-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO Cc1nc(NCc2ccccc2N)cc[nH+]1 ZINC000054937040 180203306 /nfs/dbraw/zinc/20/33/06/180203306.db2.gz KXXKBLFZYKRXGT-UHFFFAOYSA-N 1 2 214.272 1.979 20 0 BDADLO Cc1nc(NCc2nnc(C3CC3)[nH]2)cc[nH+]1 ZINC000294945164 180203578 /nfs/dbraw/zinc/20/35/78/180203578.db2.gz LRCPWQDBBRJZKF-UHFFFAOYSA-N 1 2 230.275 1.393 20 0 BDADLO Cc1nc(N[C@@H](C)c2nnc3n2CCC3)cc[nH+]1 ZINC000272206371 180203660 /nfs/dbraw/zinc/20/36/60/180203660.db2.gz HEQMSAICDRWCQR-QMMMGPOBSA-N 1 2 244.302 1.496 20 0 BDADLO Cc1nc(N[C@H]2CCOC2(C)C)cc[nH+]1 ZINC000295901757 180207300 /nfs/dbraw/zinc/20/73/00/180207300.db2.gz CQZGVPXNWWXJQI-VIFPVBQESA-N 1 2 207.277 1.764 20 0 BDADLO Cc1nc(N[C@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000277401602 180207660 /nfs/dbraw/zinc/20/76/60/180207660.db2.gz HCLFPRWHZWZDOZ-SCZZXKLOSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc(NC[C@@]2(C)CCOC2)cc[nH+]1 ZINC000336743792 180181177 /nfs/dbraw/zinc/18/11/77/180181177.db2.gz YMKNCVXJFUXLDK-LLVKDONJSA-N 1 2 207.277 1.045 20 0 BDADLO Cc1nccc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)n1 ZINC000373595922 180182676 /nfs/dbraw/zinc/18/26/76/180182676.db2.gz QYENYBHDBPECDV-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1nccc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)n1 ZINC000373595922 180182677 /nfs/dbraw/zinc/18/26/77/180182677.db2.gz QYENYBHDBPECDV-ZDUSSCGKSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1ncccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290999169 180210245 /nfs/dbraw/zinc/21/02/45/180210245.db2.gz YIJKZJQEIDLQRA-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000427598509 191083451 /nfs/dbraw/zinc/08/34/51/191083451.db2.gz FWMSGAMDFLYZKE-BDAKNGLRSA-N 1 2 239.319 1.227 20 0 BDADLO CC/C=C\CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637191561 350250459 /nfs/dbraw/zinc/25/04/59/350250459.db2.gz SFVXNAXZLDZOLJ-UMBAGQNISA-N 1 2 234.303 1.073 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C(C)C)CC2 ZINC000623830920 350313111 /nfs/dbraw/zinc/31/31/11/350313111.db2.gz IQXHXPHYMCQIJD-LLVKDONJSA-N 1 2 235.331 1.621 20 0 BDADLO Cc1cc(CNC(=O)NC2(C)COC2)cc(C)[nH+]1 ZINC000637233033 350316008 /nfs/dbraw/zinc/31/60/08/350316008.db2.gz MADYQODSLZDMBQ-UHFFFAOYSA-N 1 2 249.314 1.287 20 0 BDADLO CCC(CC)NC(=O)CCn1cc[nH+]c1 ZINC000224779770 350340038 /nfs/dbraw/zinc/34/00/38/350340038.db2.gz UBYWZNYLMVEBEC-UHFFFAOYSA-N 1 2 209.293 1.578 20 0 BDADLO Cc1ncsc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000271045470 180314735 /nfs/dbraw/zinc/31/47/35/180314735.db2.gz PVCHUHWKRYESCK-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO Cc1ncsc1C[N@H+]1CCO[C@@H](C)C1 ZINC000271045470 180314736 /nfs/dbraw/zinc/31/47/36/180314736.db2.gz PVCHUHWKRYESCK-QMMMGPOBSA-N 1 2 212.318 1.672 20 0 BDADLO O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000617211165 350380740 /nfs/dbraw/zinc/38/07/40/350380740.db2.gz IYSIQIDCVMIISY-MJVIPROJSA-N 1 2 245.326 1.504 20 0 BDADLO CC(C)C[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000040779457 350398895 /nfs/dbraw/zinc/39/88/95/350398895.db2.gz HKOJNPAKLQVKBZ-VIFPVBQESA-N 1 2 249.318 1.182 20 0 BDADLO CC1(C)CC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637290526 350402241 /nfs/dbraw/zinc/40/22/41/350402241.db2.gz WLIGLFNTTLDBTH-SECBINFHSA-N 1 2 248.330 1.296 20 0 BDADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccnn1C ZINC000353031412 180337066 /nfs/dbraw/zinc/33/70/66/180337066.db2.gz BZJISWBSNOKTJV-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccnn1C ZINC000353031412 180337069 /nfs/dbraw/zinc/33/70/69/180337069.db2.gz BZJISWBSNOKTJV-UHFFFAOYSA-N 1 2 247.346 1.402 20 0 BDADLO CC1(C)C[NH+](Cc2cnns2)CC(C)(C)O1 ZINC000336674515 350432087 /nfs/dbraw/zinc/43/20/87/350432087.db2.gz PDAITPPVHDCRDN-UHFFFAOYSA-N 1 2 241.360 1.928 20 0 BDADLO CC[N@H+](Cc1nc(C)c(C)o1)[C@H]1CCOC1 ZINC000336681277 350441432 /nfs/dbraw/zinc/44/14/32/350441432.db2.gz YAYOXTKEKKRDPW-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO CC[N@@H+](Cc1nc(C)c(C)o1)[C@H]1CCOC1 ZINC000336681277 350441437 /nfs/dbraw/zinc/44/14/37/350441437.db2.gz YAYOXTKEKKRDPW-NSHDSACASA-N 1 2 224.304 1.902 20 0 BDADLO Cc1nn(C)cc1CNc1ccc(N(C)C)[nH+]c1 ZINC000126073110 180375372 /nfs/dbraw/zinc/37/53/72/180375372.db2.gz GJWRQAZQTQZVJU-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CC(C)[C@@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428001700 191105103 /nfs/dbraw/zinc/10/51/03/191105103.db2.gz RWQNNQZORVTBSR-RYUDHWBXSA-N 1 2 249.358 1.996 20 0 BDADLO Clc1cncc(C[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000621285219 350507537 /nfs/dbraw/zinc/50/75/37/350507537.db2.gz RJWNJPPFACPCTQ-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO Clc1cncc(C[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000621285219 350507539 /nfs/dbraw/zinc/50/75/39/350507539.db2.gz RJWNJPPFACPCTQ-UHFFFAOYSA-N 1 2 249.705 1.411 20 0 BDADLO CC[C@H](C)N(CC)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000637403285 350537094 /nfs/dbraw/zinc/53/70/94/350537094.db2.gz ITIOYVZRDWQBQG-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H](C)N(CC)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000637403285 350537099 /nfs/dbraw/zinc/53/70/99/350537099.db2.gz ITIOYVZRDWQBQG-RYUDHWBXSA-N 1 2 242.363 1.354 20 0 BDADLO Cn1cc[nH+]c1CSc1ncccn1 ZINC000163377360 350519630 /nfs/dbraw/zinc/51/96/30/350519630.db2.gz RKWYJLBHIXCXJL-UHFFFAOYSA-N 1 2 206.274 1.502 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CF ZINC000567914587 350605904 /nfs/dbraw/zinc/60/59/04/350605904.db2.gz YXYHSZAIXAJSGY-KOLCDFICSA-N 1 2 239.294 1.549 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CF ZINC000567914587 350605908 /nfs/dbraw/zinc/60/59/08/350605908.db2.gz YXYHSZAIXAJSGY-KOLCDFICSA-N 1 2 239.294 1.549 20 0 BDADLO C/C=C\CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000637489346 350651750 /nfs/dbraw/zinc/65/17/50/350651750.db2.gz WOSGPRCTDSLZOD-DLGQBQFBSA-N 1 2 248.330 1.806 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000052396029 191115361 /nfs/dbraw/zinc/11/53/61/191115361.db2.gz CDOROXOIGAQALZ-JTQLQIEISA-N 1 2 239.319 1.397 20 0 BDADLO CC(C)c1noc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000052396029 191115363 /nfs/dbraw/zinc/11/53/63/191115363.db2.gz CDOROXOIGAQALZ-JTQLQIEISA-N 1 2 239.319 1.397 20 0 BDADLO C/C=C/CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000637488614 350651073 /nfs/dbraw/zinc/65/10/73/350651073.db2.gz RFVDDVUXWUAZSD-VUDBWIFFSA-N 1 2 248.330 1.875 20 0 BDADLO CC[C@H](Nc1cccnn1)c1[nH]cc[nH+]1 ZINC000125226945 350731310 /nfs/dbraw/zinc/73/13/10/350731310.db2.gz UILPNHMQNPVDLV-QMMMGPOBSA-N 1 2 203.249 1.763 20 0 BDADLO COc1nccc(C[NH2+]Cc2conc2C)n1 ZINC000397987682 362981031 /nfs/dbraw/zinc/98/10/31/362981031.db2.gz KZBHNNZSTLBUSM-UHFFFAOYSA-N 1 2 234.259 1.071 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC(C)(C)C2)[nH]1 ZINC000336354045 350768605 /nfs/dbraw/zinc/76/86/05/350768605.db2.gz PSYAPRWQFLNIBM-UHFFFAOYSA-N 1 2 222.336 1.989 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC(C)(C)C2)[nH]1 ZINC000336354045 350768608 /nfs/dbraw/zinc/76/86/08/350768608.db2.gz PSYAPRWQFLNIBM-UHFFFAOYSA-N 1 2 222.336 1.989 20 0 BDADLO CC[N@H+](Cc1nc(CC(C)C)no1)[C@H](C)CO ZINC000339629720 350769118 /nfs/dbraw/zinc/76/91/18/350769118.db2.gz VMVGMSZULJJNOD-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC[N@@H+](Cc1nc(CC(C)C)no1)[C@H](C)CO ZINC000339629720 350769120 /nfs/dbraw/zinc/76/91/20/350769120.db2.gz VMVGMSZULJJNOD-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CSCC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000177576824 366009845 /nfs/dbraw/zinc/00/98/45/366009845.db2.gz SMZLKZDRMNXQOL-SECBINFHSA-N 1 2 219.350 1.621 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000177576824 366009848 /nfs/dbraw/zinc/00/98/48/366009848.db2.gz SMZLKZDRMNXQOL-SECBINFHSA-N 1 2 219.350 1.621 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1C)Cn1cc[nH+]c1 ZINC000607040144 350796524 /nfs/dbraw/zinc/79/65/24/350796524.db2.gz QYRFYVORAHAEHS-GMTAPVOTSA-N 1 2 221.304 1.291 20 0 BDADLO CCOC(=O)C[N@H+](C)CCc1ccncc1C ZINC000397515470 350902519 /nfs/dbraw/zinc/90/25/19/350902519.db2.gz ABJQRNWMONXEFH-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCc1ccncc1C ZINC000397515470 350902521 /nfs/dbraw/zinc/90/25/21/350902521.db2.gz ABJQRNWMONXEFH-UHFFFAOYSA-N 1 2 236.315 1.427 20 0 BDADLO c1nc(C[NH2+]Cc2cccc3c2OCCO3)co1 ZINC000397819797 350979065 /nfs/dbraw/zinc/97/90/65/350979065.db2.gz DKMFPCJGGSHRGC-UHFFFAOYSA-N 1 2 246.266 1.736 20 0 BDADLO C[N@H+](CC(=O)N1CCCC1)Cc1ccoc1 ZINC000052442687 350947392 /nfs/dbraw/zinc/94/73/92/350947392.db2.gz BJWNRYBGIUDYEQ-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccoc1 ZINC000052442687 350947394 /nfs/dbraw/zinc/94/73/94/350947394.db2.gz BJWNRYBGIUDYEQ-UHFFFAOYSA-N 1 2 222.288 1.334 20 0 BDADLO COCC[N@H+](Cc1noc(C)n1)C1CCCC1 ZINC000052607518 351021972 /nfs/dbraw/zinc/02/19/72/351021972.db2.gz ZPJAQRBWAZZLEX-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO COCC[N@@H+](Cc1noc(C)n1)C1CCCC1 ZINC000052607518 351021975 /nfs/dbraw/zinc/02/19/75/351021975.db2.gz ZPJAQRBWAZZLEX-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO C[C@](CO)([NH2+]Cc1ccon1)c1ccccc1 ZINC000607152230 351030977 /nfs/dbraw/zinc/03/09/77/351030977.db2.gz XQGMJRYYYBCRCB-CYBMUJFWSA-N 1 2 232.283 1.672 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cnn[nH]2)o1 ZINC000398338302 351036997 /nfs/dbraw/zinc/03/69/97/351036997.db2.gz BYKUJWVFLRJKBA-LDYMZIIASA-N 1 2 232.287 1.811 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cnn[nH]2)s1 ZINC000398353196 351048050 /nfs/dbraw/zinc/04/80/50/351048050.db2.gz ULFLNXHOLSWVEE-UHFFFAOYSA-N 1 2 223.305 1.113 20 0 BDADLO CCn1cc[nH+]c1CNCc1ncc(C)s1 ZINC000230686549 323446801 /nfs/dbraw/zinc/44/68/01/323446801.db2.gz UOJQIVHULZGZTD-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000628319018 351105860 /nfs/dbraw/zinc/10/58/60/351105860.db2.gz FZDKXHPFQBXTNW-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)n1 ZINC000628319018 351105862 /nfs/dbraw/zinc/10/58/62/351105862.db2.gz FZDKXHPFQBXTNW-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1sccc1C[NH2+]Cc1cnn[nH]1 ZINC000398365155 351123172 /nfs/dbraw/zinc/12/31/72/351123172.db2.gz LHLZRIPOTMWAFC-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1sccc1C[NH2+]Cc1c[nH]nn1 ZINC000398365155 351123175 /nfs/dbraw/zinc/12/31/75/351123175.db2.gz LHLZRIPOTMWAFC-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO Cc1sccc1C[NH2+]Cc1cn[nH]n1 ZINC000398365155 351123177 /nfs/dbraw/zinc/12/31/77/351123177.db2.gz LHLZRIPOTMWAFC-UHFFFAOYSA-N 1 2 208.290 1.464 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000398437963 351155206 /nfs/dbraw/zinc/15/52/06/351155206.db2.gz HBWWYFLAFHPNFM-AMUVOQDHSA-N 1 2 206.293 1.473 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000398437963 351155208 /nfs/dbraw/zinc/15/52/08/351155208.db2.gz HBWWYFLAFHPNFM-AMUVOQDHSA-N 1 2 206.293 1.473 20 0 BDADLO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC000398395104 351130537 /nfs/dbraw/zinc/13/05/37/351130537.db2.gz YXQOAWFTVDTOQM-KOLCDFICSA-N 1 2 220.320 1.887 20 0 BDADLO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC000398395104 351130540 /nfs/dbraw/zinc/13/05/40/351130540.db2.gz YXQOAWFTVDTOQM-KOLCDFICSA-N 1 2 220.320 1.887 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)o2)[C@@H](C)CO1 ZINC000628324550 351237580 /nfs/dbraw/zinc/23/75/80/351237580.db2.gz YJECMYHFBYGACO-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)o2)[C@@H](C)CO1 ZINC000628324550 351237584 /nfs/dbraw/zinc/23/75/84/351237584.db2.gz YJECMYHFBYGACO-ONGXEEELSA-N 1 2 224.304 1.982 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCOC1 ZINC000265050789 351261811 /nfs/dbraw/zinc/26/18/11/351261811.db2.gz OGHFVFYGRUYFEF-SNVBAGLBSA-N 1 2 220.272 1.619 20 0 BDADLO CCCCc1cc(NC[C@H](O)C(C)C)nc[nH+]1 ZINC000631125949 351327307 /nfs/dbraw/zinc/32/73/07/351327307.db2.gz JKOKUHLWNOCISP-LBPRGKRZSA-N 1 2 237.347 1.670 20 0 BDADLO CC[C@@H](OC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268513554 351336616 /nfs/dbraw/zinc/33/66/16/351336616.db2.gz KQRPZPUCSNDMSG-LLVKDONJSA-N 1 2 247.298 1.376 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)n1cncn1 ZINC000265257940 351266221 /nfs/dbraw/zinc/26/62/21/351266221.db2.gz UTVRKCJUINFYBD-VIFPVBQESA-N 1 2 245.286 1.435 20 0 BDADLO CCn1cc(CNc2[nH+]cccc2OC)nn1 ZINC000404484919 351479087 /nfs/dbraw/zinc/47/90/87/351479087.db2.gz ANEBJEXSLZJVIX-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO CCc1nnc(C[N@H+]2CC=C(C)CC2)[nH]1 ZINC000274666359 351576799 /nfs/dbraw/zinc/57/67/99/351576799.db2.gz RETPRDVBJFEZKL-UHFFFAOYSA-N 1 2 206.293 1.519 20 0 BDADLO CCc1nnc(C[N@@H+]2CC=C(C)CC2)[nH]1 ZINC000274666359 351576800 /nfs/dbraw/zinc/57/68/00/351576800.db2.gz RETPRDVBJFEZKL-UHFFFAOYSA-N 1 2 206.293 1.519 20 0 BDADLO CC1(C)CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000336731404 351624877 /nfs/dbraw/zinc/62/48/77/351624877.db2.gz YSSGNGLGGMZPFG-NSHDSACASA-N 1 2 235.331 1.968 20 0 BDADLO CCOC1CC(C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000637828701 351676870 /nfs/dbraw/zinc/67/68/70/351676870.db2.gz GDZJNAYDCISSOZ-UHFFFAOYSA-N 1 2 235.287 1.248 20 0 BDADLO C/C=C\C[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000337857422 191139771 /nfs/dbraw/zinc/13/97/71/191139771.db2.gz HQSVTCKZZFAOFD-ZBJFTSOASA-N 1 2 247.302 1.102 20 0 BDADLO Nc1ccc(NC(=O)C23CC(C2)C3)c[nH+]1 ZINC000637827211 351675835 /nfs/dbraw/zinc/67/58/35/351675835.db2.gz DIKRFWRHFRAZNO-UHFFFAOYSA-N 1 2 203.245 1.233 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)Cc1ccnn1C ZINC000277668932 351721044 /nfs/dbraw/zinc/72/10/44/351721044.db2.gz SLZCOMJLZJYZON-UHFFFAOYSA-N 1 2 244.298 1.559 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2ccns2)cn1 ZINC000637872354 351734860 /nfs/dbraw/zinc/73/48/60/351734860.db2.gz XRGUCDFLMSMSKE-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2ccns2)cn1 ZINC000637872354 351734861 /nfs/dbraw/zinc/73/48/61/351734861.db2.gz XRGUCDFLMSMSKE-UHFFFAOYSA-N 1 2 222.317 1.509 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccns1 ZINC000637914702 351789073 /nfs/dbraw/zinc/78/90/73/351789073.db2.gz RINDVVXXWITENZ-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccns1 ZINC000637914702 351789075 /nfs/dbraw/zinc/78/90/75/351789075.db2.gz RINDVVXXWITENZ-SNVBAGLBSA-N 1 2 239.344 1.244 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCOC(C)(C)C1 ZINC000637943579 351820571 /nfs/dbraw/zinc/82/05/71/351820571.db2.gz FHWVBTRSQWPOOG-LBPRGKRZSA-N 1 2 249.358 1.982 20 0 BDADLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CCOC(C)(C)C1 ZINC000637943579 351820574 /nfs/dbraw/zinc/82/05/74/351820574.db2.gz FHWVBTRSQWPOOG-LBPRGKRZSA-N 1 2 249.358 1.982 20 0 BDADLO CC1(C)C[N@H+](Cc2ccns2)CCO1 ZINC000637945211 351820803 /nfs/dbraw/zinc/82/08/03/351820803.db2.gz QNAYQDOGWIQKPM-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO CC1(C)C[N@@H+](Cc2ccns2)CCO1 ZINC000637945211 351820804 /nfs/dbraw/zinc/82/08/04/351820804.db2.gz QNAYQDOGWIQKPM-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO C[NH2+]Cc1noc(C[C@H]2C=CCCC2)n1 ZINC000577838489 366079483 /nfs/dbraw/zinc/07/94/83/366079483.db2.gz VUDMNNSKRMNASO-VIFPVBQESA-N 1 2 207.277 1.688 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cnccn2)sn1 ZINC000637976476 351854115 /nfs/dbraw/zinc/85/41/15/351854115.db2.gz AHMOXCZSHCPSQC-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cnccn2)sn1 ZINC000637976476 351854119 /nfs/dbraw/zinc/85/41/19/351854119.db2.gz AHMOXCZSHCPSQC-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2cn[nH]c2)sn1 ZINC000638085662 351962407 /nfs/dbraw/zinc/96/24/07/351962407.db2.gz XBQNZVULNQTGSY-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)sn1 ZINC000638085662 351962409 /nfs/dbraw/zinc/96/24/09/351962409.db2.gz XBQNZVULNQTGSY-UHFFFAOYSA-N 1 2 222.317 1.807 20 0 BDADLO CCc1nc(N2CCC[C@@H]2CO)cc(C)[nH+]1 ZINC000283779423 351983340 /nfs/dbraw/zinc/98/33/40/351983340.db2.gz PZXSGQCOBVSQDI-SNVBAGLBSA-N 1 2 221.304 1.309 20 0 BDADLO CO[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)C(C)C ZINC000410878309 191150451 /nfs/dbraw/zinc/15/04/51/191150451.db2.gz XADPAOHLLHZGDD-LBPRGKRZSA-N 1 2 247.298 1.944 20 0 BDADLO CCc1cc(C[NH2+]Cc2ccns2)on1 ZINC000638276083 352113218 /nfs/dbraw/zinc/11/32/18/352113218.db2.gz WZJDDKDIOKMWJZ-UHFFFAOYSA-N 1 2 223.301 1.983 20 0 BDADLO CC[N@@H+]1CCN(C(=O)c2cncs2)[C@@H](C)C1 ZINC000288314314 352144900 /nfs/dbraw/zinc/14/49/00/352144900.db2.gz HQWZYAZQGURLPX-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[N@H+]1CCN(C(=O)c2cncs2)[C@@H](C)C1 ZINC000288314314 352144902 /nfs/dbraw/zinc/14/49/02/352144902.db2.gz HQWZYAZQGURLPX-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CCCC[N@H+](C)Cc1ccc(S(C)(=O)=O)o1 ZINC000411125227 191160491 /nfs/dbraw/zinc/16/04/91/191160491.db2.gz IYFURXDIQMILHW-UHFFFAOYSA-N 1 2 245.344 1.915 20 0 BDADLO CCCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)o1 ZINC000411125227 191160493 /nfs/dbraw/zinc/16/04/93/191160493.db2.gz IYFURXDIQMILHW-UHFFFAOYSA-N 1 2 245.344 1.915 20 0 BDADLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)[C@@H]1C1CC1 ZINC000291440865 352276096 /nfs/dbraw/zinc/27/60/96/352276096.db2.gz KKWGPORBUXSGQN-GFCCVEGCSA-N 1 2 233.315 1.530 20 0 BDADLO CCC[C@@](C)(NCc1cn(C)c[nH+]1)C(=O)OC ZINC000618904191 352331375 /nfs/dbraw/zinc/33/13/75/352331375.db2.gz XODONRYFLWQQEP-GFCCVEGCSA-N 1 2 239.319 1.242 20 0 BDADLO CSCC[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411354505 191180174 /nfs/dbraw/zinc/18/01/74/191180174.db2.gz YFVKDJGEDZIPJK-SSDOTTSWSA-N 1 2 214.338 1.469 20 0 BDADLO CSCC[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000411354505 191180176 /nfs/dbraw/zinc/18/01/76/191180176.db2.gz YFVKDJGEDZIPJK-SSDOTTSWSA-N 1 2 214.338 1.469 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@H+](Cc3noc(C4CC4)n3)C[C@H]12 ZINC000252863092 538103294 /nfs/dbraw/zinc/10/32/94/538103294.db2.gz KXKHVLPHYCGJLR-OUAUKWLOSA-N 1 2 249.314 1.150 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3noc(C4CC4)n3)C[C@H]12 ZINC000252863092 538103296 /nfs/dbraw/zinc/10/32/96/538103296.db2.gz KXKHVLPHYCGJLR-OUAUKWLOSA-N 1 2 249.314 1.150 20 0 BDADLO CCN1CC[N@H+](Cc2csc(C)c2)CC1=O ZINC000295461073 352413807 /nfs/dbraw/zinc/41/38/07/352413807.db2.gz QWFAPPTWGCMUTK-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO CCN1CC[N@@H+](Cc2csc(C)c2)CC1=O ZINC000295461073 352413810 /nfs/dbraw/zinc/41/38/10/352413810.db2.gz QWFAPPTWGCMUTK-UHFFFAOYSA-N 1 2 238.356 1.721 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)C13CC(C1)C3)CC2 ZINC000626417239 352595902 /nfs/dbraw/zinc/59/59/02/352595902.db2.gz ILNQTINHULHAFR-UHFFFAOYSA-N 1 2 231.299 1.334 20 0 BDADLO CC(C)(CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000293916165 187752776 /nfs/dbraw/zinc/75/27/76/187752776.db2.gz XECYUDWBPCSMBR-UHFFFAOYSA-N 1 2 221.304 1.852 20 0 BDADLO CCOC1CC(CNc2ccc(N(C)C)c[nH+]2)C1 ZINC000638759186 352691094 /nfs/dbraw/zinc/69/10/94/352691094.db2.gz GYQDSVCKYNBFGA-UHFFFAOYSA-N 1 2 249.358 1.797 20 0 BDADLO CO[C@](C)([C@H](C)[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000411970897 191235742 /nfs/dbraw/zinc/23/57/42/191235742.db2.gz NWRSNQKDOWZVJW-JOYOIKCWSA-N 1 2 223.320 1.703 20 0 BDADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncnn1C)CO2 ZINC000638761734 352699358 /nfs/dbraw/zinc/69/93/58/352699358.db2.gz JJWNZTNSZSXXOQ-LLVKDONJSA-N 1 2 244.298 1.347 20 0 BDADLO Cn1ncnc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000638762534 352700332 /nfs/dbraw/zinc/70/03/32/352700332.db2.gz WLWNWVMKFZSZNI-UHFFFAOYSA-N 1 2 244.298 1.135 20 0 BDADLO CCn1ncnc1CNc1c[nH+]ccc1OC ZINC000638787582 352743365 /nfs/dbraw/zinc/74/33/65/352743365.db2.gz SEMDVDHQIFXUGC-UHFFFAOYSA-N 1 2 233.275 1.314 20 0 BDADLO CC(C)OC(=O)CC[NH2+][C@@H](C)c1csnn1 ZINC000412037261 191247061 /nfs/dbraw/zinc/24/70/61/191247061.db2.gz JIFATWJKOXJUMR-QMMMGPOBSA-N 1 2 243.332 1.530 20 0 BDADLO C[C@H]1CN(c2[nH+]c3cccc(F)c3n2C)CCO1 ZINC000334179051 352765303 /nfs/dbraw/zinc/76/53/03/352765303.db2.gz CFNOOWGBBKBSJD-VIFPVBQESA-N 1 2 249.289 1.938 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000334185251 352773635 /nfs/dbraw/zinc/77/36/35/352773635.db2.gz DUSCXXZQXKBLJT-RYUDHWBXSA-N 1 2 249.314 1.183 20 0 BDADLO CC(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000334200849 352794000 /nfs/dbraw/zinc/79/40/00/352794000.db2.gz ONNQEPVWUNHWTH-GFCCVEGCSA-N 1 2 233.315 1.972 20 0 BDADLO CC[C@@](C)(O)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412070565 191252295 /nfs/dbraw/zinc/25/22/95/191252295.db2.gz IOAQYMUKJAWKCO-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CC[C@@](C)(O)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412070565 191252298 /nfs/dbraw/zinc/25/22/98/191252298.db2.gz IOAQYMUKJAWKCO-GFCCVEGCSA-N 1 2 239.319 1.540 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000334205266 352800443 /nfs/dbraw/zinc/80/04/43/352800443.db2.gz UGDMXFHPVCIRQD-VIFPVBQESA-N 1 2 210.277 1.458 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@@H](C)C1 ZINC000334205266 352800447 /nfs/dbraw/zinc/80/04/47/352800447.db2.gz UGDMXFHPVCIRQD-VIFPVBQESA-N 1 2 210.277 1.458 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2cc(C3CC3)no2)C1 ZINC000297132289 187864050 /nfs/dbraw/zinc/86/40/50/187864050.db2.gz PZYYZCJKZQOASX-UHFFFAOYSA-N 1 2 249.314 1.374 20 0 BDADLO COCC(C)(C)CC(=O)Nc1cc[nH+]cc1O ZINC000412078939 191252902 /nfs/dbraw/zinc/25/29/02/191252902.db2.gz MNNYQJFUPMDPSK-UHFFFAOYSA-N 1 2 238.287 1.210 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2cnn3ccccc23)C1 ZINC000334256760 352867412 /nfs/dbraw/zinc/86/74/12/352867412.db2.gz PKMYTZNEHMGPDM-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000334256760 352867413 /nfs/dbraw/zinc/86/74/13/352867413.db2.gz PKMYTZNEHMGPDM-ZDUSSCGKSA-N 1 2 249.289 1.241 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccccc2F)C1 ZINC000334259537 352871379 /nfs/dbraw/zinc/87/13/79/352871379.db2.gz QMUGSOXBTFLXLC-LBPRGKRZSA-N 1 2 227.254 1.732 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccccc2F)C1 ZINC000334259537 352871383 /nfs/dbraw/zinc/87/13/83/352871383.db2.gz QMUGSOXBTFLXLC-LBPRGKRZSA-N 1 2 227.254 1.732 20 0 BDADLO Cc1nscc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000334260799 352893187 /nfs/dbraw/zinc/89/31/87/352893187.db2.gz SECDQMDKPNLLRE-UHFFFAOYSA-N 1 2 236.300 1.447 20 0 BDADLO C[C@@H]1CC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000334264874 352899777 /nfs/dbraw/zinc/89/97/77/352899777.db2.gz LRQFSIREIODKBP-PWSUYJOCSA-N 1 2 243.310 1.792 20 0 BDADLO Cc1nc(N(C)Cc2cc[nH]n2)cc[nH+]1 ZINC000608086231 352970109 /nfs/dbraw/zinc/97/01/09/352970109.db2.gz XDHGCFXNASARIS-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cn1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000334328695 352966107 /nfs/dbraw/zinc/96/61/07/352966107.db2.gz NFTYQXVMPPHIKQ-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1 ZINC000334328695 352966112 /nfs/dbraw/zinc/96/61/12/352966112.db2.gz NFTYQXVMPPHIKQ-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@@H]2CCCOC2)no1 ZINC000334332237 352968490 /nfs/dbraw/zinc/96/84/90/352968490.db2.gz QCUVJCOTUXCSKA-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@H+](C)[C@@H]2CCCOC2)no1 ZINC000334332237 352968494 /nfs/dbraw/zinc/96/84/94/352968494.db2.gz QCUVJCOTUXCSKA-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO FC(F)(F)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334372755 353025542 /nfs/dbraw/zinc/02/55/42/353025542.db2.gz YYGBADYYELDETK-OCAPTIKFSA-N 1 2 209.211 1.802 20 0 BDADLO FC(F)(F)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334372755 353025544 /nfs/dbraw/zinc/02/55/44/353025544.db2.gz YYGBADYYELDETK-OCAPTIKFSA-N 1 2 209.211 1.802 20 0 BDADLO Clc1cccc(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000334371935 353030596 /nfs/dbraw/zinc/03/05/96/353030596.db2.gz XVOUMPRZWYVVQL-UHFFFAOYSA-N 1 2 248.717 1.988 20 0 BDADLO Cc1ccsc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582154516 353010559 /nfs/dbraw/zinc/01/05/59/353010559.db2.gz AQLRITFBALXZBN-UHFFFAOYSA-N 1 2 243.313 1.580 20 0 BDADLO Cc1nc(N[C@H]2CCC(F)(F)C2)nc(N)[nH+]1 ZINC000393739808 353084973 /nfs/dbraw/zinc/08/49/73/353084973.db2.gz DIFWKMNXQXXXLJ-LURJTMIESA-N 1 2 229.234 1.192 20 0 BDADLO Cc1nc(N)nc(N[C@H]2CCC(F)(F)C2)[nH+]1 ZINC000393739808 353084975 /nfs/dbraw/zinc/08/49/75/353084975.db2.gz DIFWKMNXQXXXLJ-LURJTMIESA-N 1 2 229.234 1.192 20 0 BDADLO OCc1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000334418439 353102107 /nfs/dbraw/zinc/10/21/07/353102107.db2.gz RPSUZCIUKCYFJV-UHFFFAOYSA-N 1 2 223.272 1.137 20 0 BDADLO OCc1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000334418439 353102109 /nfs/dbraw/zinc/10/21/09/353102109.db2.gz RPSUZCIUKCYFJV-UHFFFAOYSA-N 1 2 223.272 1.137 20 0 BDADLO CC(C)N1CCC[C@H]([N@@H+]2CCO[C@H](C)C2)C1=O ZINC000248356558 353126285 /nfs/dbraw/zinc/12/62/85/353126285.db2.gz OLEXLDXIPFFNHB-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N1CCC[C@H]([N@H+]2CCO[C@H](C)C2)C1=O ZINC000248356558 353126287 /nfs/dbraw/zinc/12/62/87/353126287.db2.gz OLEXLDXIPFFNHB-NEPJUHHUSA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H](Cc1ccccc1F)[NH2+]Cc1c[nH]nn1 ZINC000398285450 363205119 /nfs/dbraw/zinc/20/51/19/363205119.db2.gz IUWSCDGJIGBQOY-VIFPVBQESA-N 1 2 234.278 1.665 20 0 BDADLO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cn[nH]n1 ZINC000398285450 363205126 /nfs/dbraw/zinc/20/51/26/363205126.db2.gz IUWSCDGJIGBQOY-VIFPVBQESA-N 1 2 234.278 1.665 20 0 BDADLO CCc1nc(C[NH2+][C@H]2CCC[C@@]2(C)CO)no1 ZINC000331008956 353211859 /nfs/dbraw/zinc/21/18/59/353211859.db2.gz MMSGYMFAGZTGNC-CABZTGNLSA-N 1 2 239.319 1.273 20 0 BDADLO CCC[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1C ZINC000134562227 538113377 /nfs/dbraw/zinc/11/33/77/538113377.db2.gz PBKVSGJKEUZTAF-SCZZXKLOSA-N 1 2 211.309 1.530 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000366795057 535217590 /nfs/dbraw/zinc/21/75/90/535217590.db2.gz CSBUUWNSKNDKLN-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000366795057 535217594 /nfs/dbraw/zinc/21/75/94/535217594.db2.gz CSBUUWNSKNDKLN-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000134565266 538113224 /nfs/dbraw/zinc/11/32/24/538113224.db2.gz ADBYZBKPNHLUCG-GZMMTYOYSA-N 1 2 211.309 1.386 20 0 BDADLO CCC[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134562183 538113275 /nfs/dbraw/zinc/11/32/75/538113275.db2.gz PBKVSGJKEUZTAF-WPRPVWTQSA-N 1 2 211.309 1.530 20 0 BDADLO CNc1cc(N[C@H](C)CSC)nc[nH+]1 ZINC000128294464 353284317 /nfs/dbraw/zinc/28/43/17/353284317.db2.gz VXNUTYWECKLWIT-SSDOTTSWSA-N 1 2 212.322 1.682 20 0 BDADLO CNc1cc(N[C@H](C)CSC)[nH+]cn1 ZINC000128294464 353284319 /nfs/dbraw/zinc/28/43/19/353284319.db2.gz VXNUTYWECKLWIT-SSDOTTSWSA-N 1 2 212.322 1.682 20 0 BDADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CCN(C)C1=O ZINC000343269594 353286030 /nfs/dbraw/zinc/28/60/30/353286030.db2.gz JXRLWQDULASSDV-SNVBAGLBSA-N 1 2 246.314 1.021 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)sn1 ZINC000639054965 353356758 /nfs/dbraw/zinc/35/67/58/353356758.db2.gz WTWNHUPDUGRHDJ-LLVKDONJSA-N 1 2 240.328 1.134 20 0 BDADLO c1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)sn1 ZINC000639054965 353356761 /nfs/dbraw/zinc/35/67/61/353356761.db2.gz WTWNHUPDUGRHDJ-LLVKDONJSA-N 1 2 240.328 1.134 20 0 BDADLO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC000398323119 363220084 /nfs/dbraw/zinc/22/00/84/363220084.db2.gz NKRHEDWJPMGTTE-FXPVBKGRSA-N 1 2 208.309 1.719 20 0 BDADLO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC000398323119 363220088 /nfs/dbraw/zinc/22/00/88/363220088.db2.gz NKRHEDWJPMGTTE-FXPVBKGRSA-N 1 2 208.309 1.719 20 0 BDADLO CCN(C)C(=O)C[NH2+]Cc1cc(C2CC2)no1 ZINC000639067478 353381509 /nfs/dbraw/zinc/38/15/09/353381509.db2.gz YOCMIDJSMIPKBW-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CC[C@](C)(C[N@@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083790 353423498 /nfs/dbraw/zinc/42/34/98/353423498.db2.gz FVSYMGJQHGZVMB-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@](C)(C[N@H+]1CC(F)(F)C[C@H]1CO)OC ZINC000639083790 353423501 /nfs/dbraw/zinc/42/35/01/353423501.db2.gz FVSYMGJQHGZVMB-VHSXEESVSA-N 1 2 237.290 1.503 20 0 BDADLO CC[C@@H](NC(=O)c1cn(C)nc1C)c1[nH]cc[nH+]1 ZINC000230095398 353447466 /nfs/dbraw/zinc/44/74/66/353447466.db2.gz OWEKGFQNBQUFTE-SNVBAGLBSA-N 1 2 247.302 1.333 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ccns2)C[C@@H](C)O1 ZINC000639087858 353435042 /nfs/dbraw/zinc/43/50/42/353435042.db2.gz OZIASYMICBHYJF-ZJUUUORDSA-N 1 2 242.344 1.379 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ccns2)C[C@@H](C)O1 ZINC000639087858 353435043 /nfs/dbraw/zinc/43/50/43/353435043.db2.gz OZIASYMICBHYJF-ZJUUUORDSA-N 1 2 242.344 1.379 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1ncnn1C ZINC000639097633 353492175 /nfs/dbraw/zinc/49/21/75/353492175.db2.gz RXPXGABTHZSNRI-MRVPVSSYSA-N 1 2 249.293 1.387 20 0 BDADLO CCc1nc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)no1 ZINC000182347012 353470389 /nfs/dbraw/zinc/47/03/89/353470389.db2.gz FDWJGXZVPSUJKQ-UWVGGRQHSA-N 1 2 239.319 1.679 20 0 BDADLO CC[C@@H]([NH2+]Cc1ncnn1C)c1c(C)noc1C ZINC000182479246 353478430 /nfs/dbraw/zinc/47/84/30/353478430.db2.gz QCSCRNPWVDAWTO-SNVBAGLBSA-N 1 2 249.318 1.661 20 0 BDADLO CO[C@](C)(C[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000639094809 353479062 /nfs/dbraw/zinc/47/90/62/353479062.db2.gz IMOKBVKVLNCCTM-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CO[C@](C)(C[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000639094809 353479066 /nfs/dbraw/zinc/47/90/66/353479066.db2.gz IMOKBVKVLNCCTM-WDEREUQCSA-N 1 2 249.301 1.503 20 0 BDADLO CC(=O)N1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000189768290 353530995 /nfs/dbraw/zinc/53/09/95/353530995.db2.gz LZZGXZNFGLYUHV-UHFFFAOYSA-N 1 2 233.315 1.054 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCCCO2)cc[nH+]1 ZINC000360224626 188424727 /nfs/dbraw/zinc/42/47/27/188424727.db2.gz JLJTVLZGIZGDPC-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000398420472 363236191 /nfs/dbraw/zinc/23/61/91/363236191.db2.gz YCFXZYSNWPECOU-NSHDSACASA-N 1 2 236.319 1.244 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000398420472 363236193 /nfs/dbraw/zinc/23/61/93/363236193.db2.gz YCFXZYSNWPECOU-NSHDSACASA-N 1 2 236.319 1.244 20 0 BDADLO Cc1cc(NC[C@@H]2CCC[C@H](O)C2)nc[nH+]1 ZINC000230908515 353552534 /nfs/dbraw/zinc/55/25/34/353552534.db2.gz XDMLQSIGXVYEGT-MNOVXSKESA-N 1 2 221.304 1.748 20 0 BDADLO CCc1nc(N(CCO)C2CCC2)cc(C)[nH+]1 ZINC000286830202 353570894 /nfs/dbraw/zinc/57/08/94/353570894.db2.gz YYXYEXGCQSFUCR-UHFFFAOYSA-N 1 2 235.331 1.699 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCOCC2(CC2)C1 ZINC000577865470 366091398 /nfs/dbraw/zinc/09/13/98/366091398.db2.gz BNNRKLAAIKONGQ-UHFFFAOYSA-N 1 2 233.315 1.710 20 0 BDADLO CCN(C)C(=O)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000231865695 353665108 /nfs/dbraw/zinc/66/51/08/353665108.db2.gz GYJQYTFAWBAKPY-VIFPVBQESA-N 1 2 222.292 1.064 20 0 BDADLO Fc1cccc2c1C[N@H+](C[C@@H]1COCCO1)C2 ZINC000335158882 181006489 /nfs/dbraw/zinc/00/64/89/181006489.db2.gz XPVVKLZBFKXGCL-LLVKDONJSA-N 1 2 237.274 1.557 20 0 BDADLO Fc1cccc2c1C[N@@H+](C[C@@H]1COCCO1)C2 ZINC000335158882 181006491 /nfs/dbraw/zinc/00/64/91/181006491.db2.gz XPVVKLZBFKXGCL-LLVKDONJSA-N 1 2 237.274 1.557 20 0 BDADLO CO[C@H](C[NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000639126871 353829301 /nfs/dbraw/zinc/82/93/01/353829301.db2.gz JGPFKQNOGNNHQW-SNVBAGLBSA-N 1 2 237.303 1.462 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000639128362 353834234 /nfs/dbraw/zinc/83/42/34/353834234.db2.gz VTKSIOSGLSZYAV-YUMQZZPRSA-N 1 2 225.292 1.460 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000336225999 181021172 /nfs/dbraw/zinc/02/11/72/181021172.db2.gz HUTQXTXYAKODRF-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1cnccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000336225999 181021173 /nfs/dbraw/zinc/02/11/73/181021173.db2.gz HUTQXTXYAKODRF-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO CO[C@@H](CNc1ccc(CO)c[nH+]1)C1CC1 ZINC000639133112 353842765 /nfs/dbraw/zinc/84/27/65/353842765.db2.gz YEURHPHYUXCHRB-NSHDSACASA-N 1 2 222.288 1.411 20 0 BDADLO Nc1c(F)cccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000639144952 353851178 /nfs/dbraw/zinc/85/11/78/353851178.db2.gz IVHMMEAVJWJXDM-LBPRGKRZSA-N 1 2 242.269 1.314 20 0 BDADLO Nc1c(F)cccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000639144952 353851179 /nfs/dbraw/zinc/85/11/79/353851179.db2.gz IVHMMEAVJWJXDM-LBPRGKRZSA-N 1 2 242.269 1.314 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ccno2)[C@@H](C(N)=O)C1 ZINC000334537839 353925253 /nfs/dbraw/zinc/92/52/53/353925253.db2.gz WWKXICQJFYMFOO-WCBMZHEXSA-N 1 2 223.276 1.810 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ccno2)[C@@H](C(N)=O)C1 ZINC000334537839 353925256 /nfs/dbraw/zinc/92/52/56/353925256.db2.gz WWKXICQJFYMFOO-WCBMZHEXSA-N 1 2 223.276 1.810 20 0 BDADLO Cn1c(N2CC[C@](C)(O)C2)[nH+]c2cccc(F)c21 ZINC000334538981 353926293 /nfs/dbraw/zinc/92/62/93/353926293.db2.gz RQWJLFCDZGVEKL-ZDUSSCGKSA-N 1 2 249.289 1.674 20 0 BDADLO C[C@@H](Cc1cnccn1)[NH2+]CC(F)F ZINC000639161355 353931193 /nfs/dbraw/zinc/93/11/93/353931193.db2.gz BOHKUAWJOJGCJQ-ZETCQYMHSA-N 1 2 201.220 1.262 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000343746857 353970892 /nfs/dbraw/zinc/97/08/92/353970892.db2.gz UTSGPUCUXGUYQC-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](OC)C1 ZINC000343746857 353970895 /nfs/dbraw/zinc/97/08/95/353970895.db2.gz UTSGPUCUXGUYQC-LLVKDONJSA-N 1 2 238.335 1.217 20 0 BDADLO N#CN1CC[NH+](Cc2ccccc2)CC1 ZINC000123518551 181052619 /nfs/dbraw/zinc/05/26/19/181052619.db2.gz XZOAFFCBWMLZLR-UHFFFAOYSA-N 1 2 201.273 1.285 20 0 BDADLO C[C@@H](SCCCn1cc[nH+]c1)[C@H](C)O ZINC000230720523 363321744 /nfs/dbraw/zinc/32/17/44/363321744.db2.gz PWGUEYYVFLSZTR-VHSXEESVSA-N 1 2 214.334 1.776 20 0 BDADLO Cc1[nH]nc(C(=O)Nc2cc[nH+]cc2C)c1C ZINC000334570744 354098326 /nfs/dbraw/zinc/09/83/26/354098326.db2.gz NVLOGLHGTSUMPL-UHFFFAOYSA-N 1 2 230.271 1.404 20 0 BDADLO Cc1cnn(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000334560233 354112009 /nfs/dbraw/zinc/11/20/09/354112009.db2.gz TUGMAAWSMXFZEM-UHFFFAOYSA-N 1 2 230.271 1.106 20 0 BDADLO Cc1nccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000366858210 354142269 /nfs/dbraw/zinc/14/22/69/354142269.db2.gz NPKYHMZTAHYMAC-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO Cc1nccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)n1 ZINC000366858210 354142273 /nfs/dbraw/zinc/14/22/73/354142273.db2.gz NPKYHMZTAHYMAC-OLZOCXBDSA-N 1 2 233.315 1.538 20 0 BDADLO CCOC[C@@H]1C[N@H+](Cc2cnc(C)o2)CCO1 ZINC000529667389 324374852 /nfs/dbraw/zinc/37/48/52/324374852.db2.gz URIJSIQJIIJHJJ-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CCOC[C@@H]1C[N@@H+](Cc2cnc(C)o2)CCO1 ZINC000529667389 324374857 /nfs/dbraw/zinc/37/48/57/324374857.db2.gz URIJSIQJIIJHJJ-LBPRGKRZSA-N 1 2 240.303 1.220 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)nn1C ZINC000334598594 354233502 /nfs/dbraw/zinc/23/35/02/354233502.db2.gz VJMSKKKMDBFQJL-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)nn1C ZINC000334598594 354233504 /nfs/dbraw/zinc/23/35/04/354233504.db2.gz VJMSKKKMDBFQJL-LLVKDONJSA-N 1 2 223.320 1.339 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2cc(F)c[nH]2)c2[nH+]ccn21 ZINC000334611887 354294838 /nfs/dbraw/zinc/29/48/38/354294838.db2.gz SXPHYTRCEKWRSR-IONNQARKSA-N 1 2 248.261 1.786 20 0 BDADLO c1sc([C@@H]2COCC[NH2+]2)nc1CC1CC1 ZINC000334601330 354280200 /nfs/dbraw/zinc/28/02/00/354280200.db2.gz GPATZBZUKKRLIH-JTQLQIEISA-N 1 2 224.329 1.757 20 0 BDADLO COC(C)(C)CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000577974354 366154684 /nfs/dbraw/zinc/15/46/84/366154684.db2.gz SPPQRVLHECBAFQ-UHFFFAOYSA-N 1 2 239.319 1.226 20 0 BDADLO CCN1CC[N@H+](Cc2ccsc2)[C@@H](C)C1=O ZINC000334620719 354357758 /nfs/dbraw/zinc/35/77/58/354357758.db2.gz YCWDJNCNWRCCGO-JTQLQIEISA-N 1 2 238.356 1.801 20 0 BDADLO CCN1CC[N@@H+](Cc2ccsc2)[C@@H](C)C1=O ZINC000334620719 354357760 /nfs/dbraw/zinc/35/77/60/354357760.db2.gz YCWDJNCNWRCCGO-JTQLQIEISA-N 1 2 238.356 1.801 20 0 BDADLO CCN1CC[N@H+](Cc2ccsc2)[C@H](C)C1=O ZINC000334620721 354357770 /nfs/dbraw/zinc/35/77/70/354357770.db2.gz YCWDJNCNWRCCGO-SNVBAGLBSA-N 1 2 238.356 1.801 20 0 BDADLO CCN1CC[N@@H+](Cc2ccsc2)[C@H](C)C1=O ZINC000334620721 354357772 /nfs/dbraw/zinc/35/77/72/354357772.db2.gz YCWDJNCNWRCCGO-SNVBAGLBSA-N 1 2 238.356 1.801 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000074234165 354324250 /nfs/dbraw/zinc/32/42/50/354324250.db2.gz PQQHUKAYRUKSCS-MNOVXSKESA-N 1 2 221.304 1.530 20 0 BDADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ncnn1C ZINC000639185992 354380063 /nfs/dbraw/zinc/38/00/63/354380063.db2.gz HHTHSDWKPAPECN-TVQRCGJNSA-N 1 2 244.298 1.427 20 0 BDADLO Cc1ncc(CNc2ccc(N(C)C)c[nH+]2)cn1 ZINC000344965659 354385131 /nfs/dbraw/zinc/38/51/31/354385131.db2.gz MZRCSYRHUQYDAR-UHFFFAOYSA-N 1 2 243.314 1.280 20 0 BDADLO Cn1c2ccccc2nc1C[NH+]1CC(C)(CO)C1 ZINC000334646242 354436286 /nfs/dbraw/zinc/43/62/86/354436286.db2.gz MKDVQNSVMXWVIB-UHFFFAOYSA-N 1 2 245.326 1.388 20 0 BDADLO CC1(CO)C[NH+](Cc2ccc(F)cc2F)C1 ZINC000334646906 354436968 /nfs/dbraw/zinc/43/69/68/354436968.db2.gz NFMBAEQIKZUHIQ-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c(C)n2)[C@@H]1C ZINC000344975814 354404365 /nfs/dbraw/zinc/40/43/65/354404365.db2.gz CYCKBFYAWOVKOR-PSASIEDQSA-N 1 2 235.287 1.173 20 0 BDADLO c1cc(CN2CCn3c[nH+]cc3C2)sn1 ZINC000639190414 354426096 /nfs/dbraw/zinc/42/60/96/354426096.db2.gz AFIDZVFBHQWJOS-UHFFFAOYSA-N 1 2 220.301 1.355 20 0 BDADLO Cc1cc(CN2C(=O)[C@@H](C)N(C)C2=O)cc(C)[nH+]1 ZINC000334662766 354462086 /nfs/dbraw/zinc/46/20/86/354462086.db2.gz MYCVPGVLHKVWGE-SNVBAGLBSA-N 1 2 247.298 1.481 20 0 BDADLO O=C(Cc1ccoc1)Nc1c[nH+]c2n1CCCC2 ZINC000334665078 354466530 /nfs/dbraw/zinc/46/65/30/354466530.db2.gz BXGDAEIJRUXDST-UHFFFAOYSA-N 1 2 245.282 1.994 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H](F)C2)cc[nH+]1 ZINC000334692430 354482569 /nfs/dbraw/zinc/48/25/69/354482569.db2.gz XNTLWHDMPGNDCW-SECBINFHSA-N 1 2 223.251 1.388 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2CO)cc[nH+]1 ZINC000334692915 354483540 /nfs/dbraw/zinc/48/35/40/354483540.db2.gz JMCNYFLDBMNHJZ-ZYHUDNBSSA-N 1 2 249.314 1.094 20 0 BDADLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C2CCC2)C1 ZINC000334736808 354538397 /nfs/dbraw/zinc/53/83/97/354538397.db2.gz PRLQGRLXAHSOKG-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C2CCC2)C1 ZINC000334736808 354538401 /nfs/dbraw/zinc/53/84/01/354538401.db2.gz PRLQGRLXAHSOKG-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1C ZINC000334738482 354540630 /nfs/dbraw/zinc/54/06/30/354540630.db2.gz MPBOHPUCIWIOQD-BXKDBHETSA-N 1 2 223.320 1.575 20 0 BDADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)O)c(C)[nH+]1 ZINC000334700925 354493836 /nfs/dbraw/zinc/49/38/36/354493836.db2.gz JXCSRUKJVOCCPE-SECBINFHSA-N 1 2 237.303 1.509 20 0 BDADLO CCN1CC[N@H+](Cc2cccn2C)[C@H](C)C1=O ZINC000334708003 354502533 /nfs/dbraw/zinc/50/25/33/354502533.db2.gz NAAYJUQTCIQATI-LLVKDONJSA-N 1 2 235.331 1.078 20 0 BDADLO CCN1CC[N@@H+](Cc2cccn2C)[C@H](C)C1=O ZINC000334708003 354502535 /nfs/dbraw/zinc/50/25/35/354502535.db2.gz NAAYJUQTCIQATI-LLVKDONJSA-N 1 2 235.331 1.078 20 0 BDADLO C[C@H]1CC=C(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000334713877 354511991 /nfs/dbraw/zinc/51/19/91/354511991.db2.gz FDJTWQIDBKBFOB-VIFPVBQESA-N 1 2 219.288 1.772 20 0 BDADLO C[C@H]1CC=C(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000334713877 354511993 /nfs/dbraw/zinc/51/19/93/354511993.db2.gz FDJTWQIDBKBFOB-VIFPVBQESA-N 1 2 219.288 1.772 20 0 BDADLO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccon2)C1 ZINC000334808560 354565643 /nfs/dbraw/zinc/56/56/43/354565643.db2.gz PYWCJBPDPLDAKQ-ZIAGYGMSSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccon2)C1 ZINC000334808560 354565647 /nfs/dbraw/zinc/56/56/47/354565647.db2.gz PYWCJBPDPLDAKQ-ZIAGYGMSSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccon2)C1 ZINC000334808557 354565871 /nfs/dbraw/zinc/56/58/71/354565871.db2.gz PYWCJBPDPLDAKQ-KGLIPLIRSA-N 1 2 244.294 1.983 20 0 BDADLO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccon2)C1 ZINC000334808557 354565875 /nfs/dbraw/zinc/56/58/75/354565875.db2.gz PYWCJBPDPLDAKQ-KGLIPLIRSA-N 1 2 244.294 1.983 20 0 BDADLO CCn1nncc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000334795884 354550402 /nfs/dbraw/zinc/55/04/02/354550402.db2.gz URTINEFBZMROQZ-LLVKDONJSA-N 1 2 245.330 1.676 20 0 BDADLO CCn1nncc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000334795884 354550408 /nfs/dbraw/zinc/55/04/08/354550408.db2.gz URTINEFBZMROQZ-LLVKDONJSA-N 1 2 245.330 1.676 20 0 BDADLO C[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1F ZINC000335091211 354627663 /nfs/dbraw/zinc/62/76/63/354627663.db2.gz LFLMNNZCSIRNKX-ZWNOBZJWSA-N 1 2 247.273 1.699 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@@H+]2CC[C@@H](F)C2)C1=O ZINC000335099640 354640825 /nfs/dbraw/zinc/64/08/25/354640825.db2.gz YHIRESOUQMAAQX-NXEZZACHSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@H+]2CC[C@@H](F)C2)C1=O ZINC000335099640 354640827 /nfs/dbraw/zinc/64/08/27/354640827.db2.gz YHIRESOUQMAAQX-NXEZZACHSA-N 1 2 228.311 1.430 20 0 BDADLO CCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345623374 354716989 /nfs/dbraw/zinc/71/69/89/354716989.db2.gz DAYIEPHWLDGXPE-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCOCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000345641504 354722386 /nfs/dbraw/zinc/72/23/86/354722386.db2.gz LEPVZALEYHPHBC-UHFFFAOYSA-N 1 2 239.319 1.230 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000345589897 354724136 /nfs/dbraw/zinc/72/41/36/354724136.db2.gz HNDVATPKLMNYHX-NXEZZACHSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@@H+]2CCC=C(F)C2)C1=O ZINC000335119168 354724523 /nfs/dbraw/zinc/72/45/23/354724523.db2.gz TXBSAKVGTIMTID-LLVKDONJSA-N 1 2 240.322 1.945 20 0 BDADLO CC(C)(C)N1CC[C@@H]([N@H+]2CCC=C(F)C2)C1=O ZINC000335119168 354724526 /nfs/dbraw/zinc/72/45/26/354724526.db2.gz TXBSAKVGTIMTID-LLVKDONJSA-N 1 2 240.322 1.945 20 0 BDADLO CC(C)SCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000345521142 354671121 /nfs/dbraw/zinc/67/11/21/354671121.db2.gz YBWLUJAZCZALEM-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CC(C)SCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000345521142 354671124 /nfs/dbraw/zinc/67/11/24/354671124.db2.gz YBWLUJAZCZALEM-UHFFFAOYSA-N 1 2 241.360 1.600 20 0 BDADLO CC(C)CC[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345504941 354682477 /nfs/dbraw/zinc/68/24/77/354682477.db2.gz GQCYPFNIJGXCAG-VHSXEESVSA-N 1 2 248.317 1.925 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345727817 354745269 /nfs/dbraw/zinc/74/52/69/354745269.db2.gz VFFCGJHFKZHAPE-RKDXNWHRSA-N 1 2 234.290 1.534 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CC[C@@H]1CCCO1 ZINC000345730173 354746678 /nfs/dbraw/zinc/74/66/78/354746678.db2.gz YXNGDXPTVJUEOH-MEDUHNTESA-N 1 2 242.344 1.238 20 0 BDADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]2O)c(C)[nH+]1 ZINC000335139010 354790904 /nfs/dbraw/zinc/79/09/04/354790904.db2.gz VDPNKHDDXZJVIL-GHMZBOCLSA-N 1 2 235.287 1.343 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000335134049 354781916 /nfs/dbraw/zinc/78/19/16/354781916.db2.gz NIQSZXUHDIECLX-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000335134049 354781920 /nfs/dbraw/zinc/78/19/20/354781920.db2.gz NIQSZXUHDIECLX-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO CSCCCCNC(=O)CCn1cc[nH+]c1 ZINC000345999477 354836507 /nfs/dbraw/zinc/83/65/07/354836507.db2.gz OCMNWNFEGJVMGR-UHFFFAOYSA-N 1 2 241.360 1.533 20 0 BDADLO Fc1ccccc1[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000335140333 354844436 /nfs/dbraw/zinc/84/44/36/354844436.db2.gz DCKSTVFTEPQKRB-JTQLQIEISA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000335140333 354844440 /nfs/dbraw/zinc/84/44/40/354844440.db2.gz DCKSTVFTEPQKRB-JTQLQIEISA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000335140333 354844442 /nfs/dbraw/zinc/84/44/42/354844442.db2.gz DCKSTVFTEPQKRB-JTQLQIEISA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000335140333 354844445 /nfs/dbraw/zinc/84/44/45/354844445.db2.gz DCKSTVFTEPQKRB-JTQLQIEISA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC000335140333 354844448 /nfs/dbraw/zinc/84/44/48/354844448.db2.gz DCKSTVFTEPQKRB-JTQLQIEISA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000335140333 354844453 /nfs/dbraw/zinc/84/44/53/354844453.db2.gz DCKSTVFTEPQKRB-JTQLQIEISA-N 1 2 246.289 1.933 20 0 BDADLO CC/C=C\CC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000346049484 354845281 /nfs/dbraw/zinc/84/52/81/354845281.db2.gz AWCZLFVHVJUANA-QKMQQOOLSA-N 1 2 214.284 1.240 20 0 BDADLO CC/C=C\CC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000346049484 354845285 /nfs/dbraw/zinc/84/52/85/354845285.db2.gz AWCZLFVHVJUANA-QKMQQOOLSA-N 1 2 214.284 1.240 20 0 BDADLO Cc1cccc(C[N@@H+]2CCNC(=O)C2(C)C)n1 ZINC000335144206 354851413 /nfs/dbraw/zinc/85/14/13/354851413.db2.gz VSKYIKVFKHVWRJ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cccc(C[N@H+]2CCNC(=O)C2(C)C)n1 ZINC000335144206 354851415 /nfs/dbraw/zinc/85/14/15/354851415.db2.gz VSKYIKVFKHVWRJ-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO COCc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351409325 491069096 /nfs/dbraw/zinc/06/90/96/491069096.db2.gz RBGWDQVBWPDSOU-QMMMGPOBSA-N 1 2 222.248 1.216 20 0 BDADLO Cc1nc(C[N@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000335196884 355030063 /nfs/dbraw/zinc/03/00/63/355030063.db2.gz UYIFGMUFIZATQJ-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000335196884 355030065 /nfs/dbraw/zinc/03/00/65/355030065.db2.gz UYIFGMUFIZATQJ-MRVPVSSYSA-N 1 2 209.293 1.998 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000335206748 355042865 /nfs/dbraw/zinc/04/28/65/355042865.db2.gz DFUQPBMZQWCKAA-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@]1(C(=O)Nc2c[nH+]c3n2CCCC3)C[C@H]1F ZINC000335190405 355023063 /nfs/dbraw/zinc/02/30/63/355023063.db2.gz DBZSXWZAZCNXJJ-PRHODGIISA-N 1 2 237.278 1.906 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)C[C@H]2F)cc[nH+]1 ZINC000335228947 355070769 /nfs/dbraw/zinc/07/07/69/355070769.db2.gz DLWUDZSZYBLBJD-MWLCHTKSSA-N 1 2 208.236 1.499 20 0 BDADLO F[C@@H]1CCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000639227601 355051182 /nfs/dbraw/zinc/05/11/82/355051182.db2.gz KWSUEHPJFRVGTF-SECBINFHSA-N 1 2 238.262 1.397 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000639227601 355051186 /nfs/dbraw/zinc/05/11/86/355051186.db2.gz KWSUEHPJFRVGTF-SECBINFHSA-N 1 2 238.262 1.397 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000639227601 355051190 /nfs/dbraw/zinc/05/11/90/355051190.db2.gz KWSUEHPJFRVGTF-SECBINFHSA-N 1 2 238.262 1.397 20 0 BDADLO Cc1cnc(N2CCn3c[nH+]cc3C2)s1 ZINC000335220042 355059441 /nfs/dbraw/zinc/05/94/41/355059441.db2.gz MDHFVTQQHMFKCK-UHFFFAOYSA-N 1 2 220.301 1.668 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H]2CNC(=O)C2)c1Cl ZINC000335239075 355100932 /nfs/dbraw/zinc/10/09/32/355100932.db2.gz QAGOLSXUPGWWKR-QMMMGPOBSA-N 1 2 239.706 1.591 20 0 BDADLO CC(C)N(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000335249050 355167384 /nfs/dbraw/zinc/16/73/84/355167384.db2.gz MZFWKSYYFMTPLS-QMMMGPOBSA-N 1 2 213.306 1.010 20 0 BDADLO CC(C)OCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000346968414 355173896 /nfs/dbraw/zinc/17/38/96/355173896.db2.gz VNMNYKMMHROHEB-PGUXBMHVSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)OCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000346968414 355173897 /nfs/dbraw/zinc/17/38/97/355173897.db2.gz VNMNYKMMHROHEB-PGUXBMHVSA-N 1 2 233.377 1.253 20 0 BDADLO CC(C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000335242362 355178551 /nfs/dbraw/zinc/17/85/51/355178551.db2.gz XEQGLZKYUCROQC-UHFFFAOYSA-N 1 2 206.249 1.517 20 0 BDADLO Cn1cc[nH+]c1CN1CCO[C@H](C(C)(C)C)C1 ZINC000335243682 355181068 /nfs/dbraw/zinc/18/10/68/355181068.db2.gz NSFSKQDJWMVDBV-NSHDSACASA-N 1 2 237.347 1.667 20 0 BDADLO Cc1occc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000335258747 355197785 /nfs/dbraw/zinc/19/77/85/355197785.db2.gz BUWCSUKDNQOOHO-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1occc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000335258747 355197786 /nfs/dbraw/zinc/19/77/86/355197786.db2.gz BUWCSUKDNQOOHO-CABZTGNLSA-N 1 2 225.288 1.170 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CCCF)[C@@H]1CCCOC1 ZINC000347616551 355236415 /nfs/dbraw/zinc/23/64/15/355236415.db2.gz RRSNVHAUZUWBOQ-GHMZBOCLSA-N 1 2 247.310 1.294 20 0 BDADLO CN(CC1CC1)c1cc(NC2CC2)[nH+]cn1 ZINC000413071583 191351767 /nfs/dbraw/zinc/35/17/67/191351767.db2.gz NLZSOJLWPRQEDD-UHFFFAOYSA-N 1 2 218.304 1.897 20 0 BDADLO CN(CC1CC1)c1cc(NC2CC2)nc[nH+]1 ZINC000413071583 191351768 /nfs/dbraw/zinc/35/17/68/191351768.db2.gz NLZSOJLWPRQEDD-UHFFFAOYSA-N 1 2 218.304 1.897 20 0 BDADLO COCC[C@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000413486978 191387746 /nfs/dbraw/zinc/38/77/46/191387746.db2.gz BNHDMTDNQWDQSX-ZETCQYMHSA-N 1 2 244.726 1.219 20 0 BDADLO COCC[C@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000413486978 191387749 /nfs/dbraw/zinc/38/77/49/191387749.db2.gz BNHDMTDNQWDQSX-ZETCQYMHSA-N 1 2 244.726 1.219 20 0 BDADLO COC[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413216130 191364503 /nfs/dbraw/zinc/36/45/03/191364503.db2.gz BQBMMUVBEBFJDF-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO COC[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413216130 191364505 /nfs/dbraw/zinc/36/45/05/191364505.db2.gz BQBMMUVBEBFJDF-MRVPVSSYSA-N 1 2 222.292 1.498 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H]1CO ZINC000413263213 191366962 /nfs/dbraw/zinc/36/69/62/191366962.db2.gz VEQYTCBYWPFXAF-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)[C@H]1CO ZINC000413263213 191366964 /nfs/dbraw/zinc/36/69/64/191366964.db2.gz VEQYTCBYWPFXAF-KOLCDFICSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC[C@H]2C)nc[nH+]1 ZINC000413299498 191370779 /nfs/dbraw/zinc/37/07/79/191370779.db2.gz UOAAIRYBFAGTFA-UTLUCORTSA-N 1 2 236.319 1.480 20 0 BDADLO C[C@H](O)CNc1cc(N[C@H]2CC[C@H]2C)[nH+]cn1 ZINC000413299498 191370781 /nfs/dbraw/zinc/37/07/81/191370781.db2.gz UOAAIRYBFAGTFA-UTLUCORTSA-N 1 2 236.319 1.480 20 0 BDADLO CC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)[C@@H](C)O ZINC000413308652 191371348 /nfs/dbraw/zinc/37/13/48/191371348.db2.gz ADPDMJDUFPVUKV-PSASIEDQSA-N 1 2 236.319 1.622 20 0 BDADLO CC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)[C@@H](C)O ZINC000413308652 191371349 /nfs/dbraw/zinc/37/13/49/191371349.db2.gz ADPDMJDUFPVUKV-PSASIEDQSA-N 1 2 236.319 1.622 20 0 BDADLO Cc1ccc(CCNc2ncc(F)cn2)[nH+]c1 ZINC000413351256 191373774 /nfs/dbraw/zinc/37/37/74/191373774.db2.gz ZICBXBWHSKRCBE-UHFFFAOYSA-N 1 2 232.262 1.396 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CC[C@H](C)O2)[nH+]1 ZINC000413370431 191376569 /nfs/dbraw/zinc/37/65/69/191376569.db2.gz CRCNSXCYESSHOT-WCBMZHEXSA-N 1 2 246.314 1.668 20 0 BDADLO C[C@@H]1CC[C@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000413370318 191377195 /nfs/dbraw/zinc/37/71/95/191377195.db2.gz CHSRZECLBXSVNL-MWLCHTKSSA-N 1 2 233.315 1.755 20 0 BDADLO Cc1cc(NCc2nnc(C(C)(C)C)[nH]2)nc[nH+]1 ZINC000413421407 191381187 /nfs/dbraw/zinc/38/11/87/191381187.db2.gz QTANLIADUQHIPK-UHFFFAOYSA-N 1 2 246.318 1.235 20 0 BDADLO Cc1cc(C[NH+]2CC(C)(O)C2)cc(C)c1O ZINC000639253307 355290327 /nfs/dbraw/zinc/29/03/27/355290327.db2.gz DIPONVOEYUZXMQ-UHFFFAOYSA-N 1 2 221.300 1.576 20 0 BDADLO CC1(O)CN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000639253876 355293265 /nfs/dbraw/zinc/29/32/65/355293265.db2.gz INLHRDCRMVQSBK-UHFFFAOYSA-N 1 2 249.236 1.012 20 0 BDADLO COCC1(C)C[NH+](Cc2cc(OC)ns2)C1 ZINC000639255012 355295017 /nfs/dbraw/zinc/29/50/17/355295017.db2.gz KKGUFEPWXYETHO-UHFFFAOYSA-N 1 2 242.344 1.620 20 0 BDADLO OCC1(c2ccccc2)C[NH+](Cc2ccon2)C1 ZINC000639264940 355322614 /nfs/dbraw/zinc/32/26/14/355322614.db2.gz IFUAXFFOVVNAHO-UHFFFAOYSA-N 1 2 244.294 1.421 20 0 BDADLO CCOC1(C)C[NH+](Cc2cc(C)no2)C1 ZINC000639267689 355328870 /nfs/dbraw/zinc/32/88/70/355328870.db2.gz MOLMAMSSXUJKSJ-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cn1cc(CCC[NH+]2CC(OC(F)F)C2)cn1 ZINC000639267807 355329445 /nfs/dbraw/zinc/32/94/45/355329445.db2.gz OGZQHHJFLNSDQG-UHFFFAOYSA-N 1 2 245.273 1.276 20 0 BDADLO Cc1cnc(C[NH+]2CC(C(C)(C)O)C2)o1 ZINC000639252379 355285421 /nfs/dbraw/zinc/28/54/21/355285421.db2.gz GKSDTSTYRNNJSK-UHFFFAOYSA-N 1 2 210.277 1.186 20 0 BDADLO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccon1 ZINC000349237212 355373178 /nfs/dbraw/zinc/37/31/78/355373178.db2.gz DTKLSLWQQGOCDH-VIFPVBQESA-N 1 2 237.303 1.242 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349242192 355374942 /nfs/dbraw/zinc/37/49/42/355374942.db2.gz OIICRQUVBSTCEW-VHSXEESVSA-N 1 2 239.319 1.581 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000335777416 355403190 /nfs/dbraw/zinc/40/31/90/355403190.db2.gz XIOLBCRUIXPONZ-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO CC[C@H]([NH2+]Cc1ccn(C)n1)c1ccn(C)n1 ZINC000349778585 355459754 /nfs/dbraw/zinc/45/97/54/355459754.db2.gz SOWDGYOXHXZGHE-NSHDSACASA-N 1 2 233.319 1.395 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1=CCCCC1 ZINC000335806093 355477725 /nfs/dbraw/zinc/47/77/25/355477725.db2.gz GUUGVCYFHVHXGV-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1=CCCCC1 ZINC000335806093 355477728 /nfs/dbraw/zinc/47/77/28/355477728.db2.gz GUUGVCYFHVHXGV-UHFFFAOYSA-N 1 2 205.261 1.526 20 0 BDADLO Cc1c[nH]cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000335806966 355479203 /nfs/dbraw/zinc/47/92/03/355479203.db2.gz BWEIBXZCJHNEFJ-UHFFFAOYSA-N 1 2 218.260 1.318 20 0 BDADLO C[NH2+]Cc1noc(CCc2cccc(OC)c2)n1 ZINC000349851582 355482788 /nfs/dbraw/zinc/48/27/88/355482788.db2.gz HSCRLBNTNCZSSX-UHFFFAOYSA-N 1 2 247.298 1.583 20 0 BDADLO CCc1cc[nH+]cc1N[C@H]1CCCNC(=O)C1 ZINC000639293896 355547928 /nfs/dbraw/zinc/54/79/28/355547928.db2.gz HMEUAEGEGWLUCG-NSHDSACASA-N 1 2 233.315 1.725 20 0 BDADLO CC[C@]1(C)C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335835260 355562551 /nfs/dbraw/zinc/56/25/51/355562551.db2.gz RFITZGWLWAJBPB-ZWNOBZJWSA-N 1 2 233.315 1.662 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)sn1 ZINC000639305885 355670260 /nfs/dbraw/zinc/67/02/60/355670260.db2.gz FUCHIJXDWHAZKU-WCBMZHEXSA-N 1 2 249.343 1.839 20 0 BDADLO Cc1conc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582184450 355660054 /nfs/dbraw/zinc/66/00/54/355660054.db2.gz BJRXMAHILRNFAE-SECBINFHSA-N 1 2 234.259 1.769 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000330947104 181203181 /nfs/dbraw/zinc/20/31/81/181203181.db2.gz HYZPQTJRUIUOQW-SNVBAGLBSA-N 1 2 221.260 1.070 20 0 BDADLO NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000330947104 181203183 /nfs/dbraw/zinc/20/31/83/181203183.db2.gz HYZPQTJRUIUOQW-SNVBAGLBSA-N 1 2 221.260 1.070 20 0 BDADLO CCC[C@H](C[N@H+](C)Cc1nnc(C)o1)OC ZINC000639309608 355665724 /nfs/dbraw/zinc/66/57/24/355665724.db2.gz LBMFKCFQDDXTAI-SNVBAGLBSA-N 1 2 227.308 1.625 20 0 BDADLO CCC[C@H](C[N@@H+](C)Cc1nnc(C)o1)OC ZINC000639309608 355665726 /nfs/dbraw/zinc/66/57/26/355665726.db2.gz LBMFKCFQDDXTAI-SNVBAGLBSA-N 1 2 227.308 1.625 20 0 BDADLO CCN1CC[N@H+](Cc2ccncc2)[C@H](C)C1=O ZINC000335860304 355622880 /nfs/dbraw/zinc/62/28/80/355622880.db2.gz FVUPIQBGNQGPJM-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[N@@H+](Cc2ccncc2)[C@H](C)C1=O ZINC000335860304 355622884 /nfs/dbraw/zinc/62/28/84/355622884.db2.gz FVUPIQBGNQGPJM-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@@H](C)O1 ZINC000335860490 355623002 /nfs/dbraw/zinc/62/30/02/355623002.db2.gz RGJVUWJJXLYMLF-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO O=C(NCC(F)(F)F)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335870753 355636962 /nfs/dbraw/zinc/63/69/62/355636962.db2.gz ZDXCGJTUQQBJFA-LURJTMIESA-N 1 2 247.220 1.508 20 0 BDADLO O=C(NCC(F)(F)F)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000335870753 355636965 /nfs/dbraw/zinc/63/69/65/355636965.db2.gz ZDXCGJTUQQBJFA-LURJTMIESA-N 1 2 247.220 1.508 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000335881320 355670025 /nfs/dbraw/zinc/67/00/25/355670025.db2.gz VTGOVZGWMUTNFM-SECBINFHSA-N 1 2 237.303 1.326 20 0 BDADLO Cc1ncc(C[N@@H+](C)Cc2ccccn2)cn1 ZINC000350363940 355692851 /nfs/dbraw/zinc/69/28/51/355692851.db2.gz YVNUQLQQFDJASL-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO Cc1ncc(C[N@H+](C)Cc2ccccn2)cn1 ZINC000350363940 355692854 /nfs/dbraw/zinc/69/28/54/355692854.db2.gz YVNUQLQQFDJASL-UHFFFAOYSA-N 1 2 228.299 1.812 20 0 BDADLO CC(C)N(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000582192947 355695316 /nfs/dbraw/zinc/69/53/16/355695316.db2.gz YMOMUBLRFILDGQ-UHFFFAOYSA-N 1 2 224.308 1.012 20 0 BDADLO CC[C@@](C)(C[N@@H+]1Cc2cnn(C)c2C1)OC ZINC000639320672 355721585 /nfs/dbraw/zinc/72/15/85/355721585.db2.gz GKNSIVXYVWWVLA-LBPRGKRZSA-N 1 2 223.320 1.551 20 0 BDADLO CC[C@@](C)(C[N@H+]1Cc2cnn(C)c2C1)OC ZINC000639320672 355721587 /nfs/dbraw/zinc/72/15/87/355721587.db2.gz GKNSIVXYVWWVLA-LBPRGKRZSA-N 1 2 223.320 1.551 20 0 BDADLO NC(=O)[C@H]1CSCC[N@@H+]1CCOC1CCC1 ZINC000329227177 181205396 /nfs/dbraw/zinc/20/53/96/181205396.db2.gz HXZSEDUUNOTEQD-SNVBAGLBSA-N 1 2 244.360 1.508 20 0 BDADLO NC(=O)[C@H]1CSCC[N@H+]1CCOC1CCC1 ZINC000329227177 181205397 /nfs/dbraw/zinc/20/53/97/181205397.db2.gz HXZSEDUUNOTEQD-SNVBAGLBSA-N 1 2 244.360 1.508 20 0 BDADLO Cn1ncc2c1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000639319676 355719697 /nfs/dbraw/zinc/71/96/97/355719697.db2.gz GISVATSOULUVKJ-SNVBAGLBSA-N 1 2 221.304 1.162 20 0 BDADLO Cn1ncc2c1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000639319676 355719701 /nfs/dbraw/zinc/71/97/01/355719701.db2.gz GISVATSOULUVKJ-SNVBAGLBSA-N 1 2 221.304 1.162 20 0 BDADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ncccn1 ZINC000330131238 181205655 /nfs/dbraw/zinc/20/56/55/181205655.db2.gz PNMZWFSICBBKNM-SCVCMEIPSA-N 1 2 246.314 1.612 20 0 BDADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ncccn1 ZINC000330131238 181205657 /nfs/dbraw/zinc/20/56/57/181205657.db2.gz PNMZWFSICBBKNM-SCVCMEIPSA-N 1 2 246.314 1.612 20 0 BDADLO COCc1nnc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)[nH]1 ZINC000639310869 355680795 /nfs/dbraw/zinc/68/07/95/355680795.db2.gz IZMTVFBYXLXPHN-ILWJIGKKSA-N 1 2 236.319 1.087 20 0 BDADLO O=C(c1c[nH]cn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335889881 355681940 /nfs/dbraw/zinc/68/19/40/355681940.db2.gz PTZHHEHLLJFLFN-VIFPVBQESA-N 1 2 231.259 1.110 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000335892966 355686596 /nfs/dbraw/zinc/68/65/96/355686596.db2.gz QTHGKCGECWBTLF-SECBINFHSA-N 1 2 249.314 1.241 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000335892966 355686601 /nfs/dbraw/zinc/68/66/01/355686601.db2.gz QTHGKCGECWBTLF-SECBINFHSA-N 1 2 249.314 1.241 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cnccn1 ZINC000350767245 355756073 /nfs/dbraw/zinc/75/60/73/355756073.db2.gz IENSXWYCNQJAJS-UHFFFAOYSA-N 1 2 232.287 1.659 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cnccn1 ZINC000350767245 355756074 /nfs/dbraw/zinc/75/60/74/355756074.db2.gz IENSXWYCNQJAJS-UHFFFAOYSA-N 1 2 232.287 1.659 20 0 BDADLO c1n[nH]c2c1C[N@H+](CCC[C@H]1CCO1)CCC2 ZINC000639341573 355783882 /nfs/dbraw/zinc/78/38/82/355783882.db2.gz XNRYDZQYCQGOAU-LBPRGKRZSA-N 1 2 235.331 1.727 20 0 BDADLO c1n[nH]c2c1C[N@@H+](CCC[C@H]1CCO1)CCC2 ZINC000639341573 355783886 /nfs/dbraw/zinc/78/38/86/355783886.db2.gz XNRYDZQYCQGOAU-LBPRGKRZSA-N 1 2 235.331 1.727 20 0 BDADLO COc1cccc(C)c1C[NH2+]Cc1cnn[nH]1 ZINC000639341987 355783966 /nfs/dbraw/zinc/78/39/66/355783966.db2.gz QMAUQKHLQURRDZ-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO c1[nH]nnc1C[NH2+]CC1CCSCC1 ZINC000639342604 355784548 /nfs/dbraw/zinc/78/45/48/355784548.db2.gz ZPKVSIYSLQXZSF-UHFFFAOYSA-N 1 2 212.322 1.038 20 0 BDADLO c1n[nH]nc1C[NH2+]CC1CCSCC1 ZINC000639342604 355784551 /nfs/dbraw/zinc/78/45/51/355784551.db2.gz ZPKVSIYSLQXZSF-UHFFFAOYSA-N 1 2 212.322 1.038 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2F)c2[nH+]ccn21 ZINC000424866780 191836923 /nfs/dbraw/zinc/83/69/23/191836923.db2.gz GDFKBYAOVSBKDX-ARHDFHRDSA-N 1 2 237.278 1.753 20 0 BDADLO CC(C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000623250979 355823586 /nfs/dbraw/zinc/82/35/86/355823586.db2.gz SVUQYLJFVCPHJE-UHFFFAOYSA-N 1 2 209.293 1.530 20 0 BDADLO c1[nH]nnc1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000628363290 355847621 /nfs/dbraw/zinc/84/76/21/355847621.db2.gz FELWNQFMABJGJO-ZDUSSCGKSA-N 1 2 242.326 1.842 20 0 BDADLO c1n[nH]nc1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000628363290 355847625 /nfs/dbraw/zinc/84/76/25/355847625.db2.gz FELWNQFMABJGJO-ZDUSSCGKSA-N 1 2 242.326 1.842 20 0 BDADLO CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2c[nH]nn2)n1 ZINC000628363693 355849077 /nfs/dbraw/zinc/84/90/77/355849077.db2.gz UIYUZQXMBBOAKO-SNVBAGLBSA-N 1 2 248.334 1.303 20 0 BDADLO CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2cn[nH]n2)n1 ZINC000628363693 355849079 /nfs/dbraw/zinc/84/90/79/355849079.db2.gz UIYUZQXMBBOAKO-SNVBAGLBSA-N 1 2 248.334 1.303 20 0 BDADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000623255367 355860210 /nfs/dbraw/zinc/86/02/10/355860210.db2.gz COOCADRREDOPQH-WHOHXGKFSA-N 1 2 245.326 1.360 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2nccn2C)C1 ZINC000639380132 355916452 /nfs/dbraw/zinc/91/64/52/355916452.db2.gz OMWCKVXWIDYVOY-UHFFFAOYSA-N 1 2 235.331 1.279 20 0 BDADLO CC1([NH2+]Cc2ncccc2C(F)(F)F)COC1 ZINC000639380980 355920468 /nfs/dbraw/zinc/92/04/68/355920468.db2.gz MMXPYFMSCJPQET-UHFFFAOYSA-N 1 2 246.232 1.979 20 0 BDADLO COCc1ccc(C[NH2+]C2(C)COC2)o1 ZINC000639381040 355920601 /nfs/dbraw/zinc/92/06/01/355920601.db2.gz NQQFFUHHLCRDQQ-UHFFFAOYSA-N 1 2 211.261 1.305 20 0 BDADLO CC[C@@]1(O)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000639386047 355981728 /nfs/dbraw/zinc/98/17/28/355981728.db2.gz XDNBPNZRVRARRU-GFCCVEGCSA-N 1 2 223.320 1.455 20 0 BDADLO Cc1noc([C@@H](C)N(C)c2cc(C)[nH+]cn2)n1 ZINC000583640987 355947210 /nfs/dbraw/zinc/94/72/10/355947210.db2.gz APXPZBZXIBMESS-MRVPVSSYSA-N 1 2 233.275 1.674 20 0 BDADLO COC(=O)[C@H]([NH2+]CC1CCC(C)CC1)[C@@H](C)O ZINC000351521844 356007853 /nfs/dbraw/zinc/00/78/53/356007853.db2.gz IOWHJXRCXNPPGA-RUJICJSRSA-N 1 2 243.347 1.325 20 0 BDADLO C[C@H]1C[N@H+](CCCO)C[C@@H](C(F)(F)F)O1 ZINC000608749472 355972019 /nfs/dbraw/zinc/97/20/19/355972019.db2.gz JDEYOKAGIUKXKU-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](CCCO)C[C@@H](C(F)(F)F)O1 ZINC000608749472 355972024 /nfs/dbraw/zinc/97/20/24/355972024.db2.gz JDEYOKAGIUKXKU-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1nnc(C2CC2)n1C ZINC000608759024 355972869 /nfs/dbraw/zinc/97/28/69/355972869.db2.gz RIOWSVAAZQGWCD-UHFFFAOYSA-N 1 2 246.318 1.048 20 0 BDADLO FC(F)(F)[C@@H]1C[C@H]1[NH2+]Cc1csnn1 ZINC000639390726 356031080 /nfs/dbraw/zinc/03/10/80/356031080.db2.gz KVKFFPVCKBMIQJ-PHDIDXHHSA-N 1 2 223.223 1.579 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336066424 134070761 /nfs/dbraw/zinc/07/07/61/134070761.db2.gz DWQGOPXYHPMMKU-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336066424 134070762 /nfs/dbraw/zinc/07/07/62/134070762.db2.gz DWQGOPXYHPMMKU-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO NC(=O)CCOc1ccc([NH2+]CC2CC2)cc1 ZINC000036934273 181226882 /nfs/dbraw/zinc/22/68/82/181226882.db2.gz YMBTWQAWJDIZIO-UHFFFAOYSA-N 1 2 234.299 1.763 20 0 BDADLO Nc1ccnc(C[NH+]2CCC(C(F)F)CC2)n1 ZINC000351538762 356011791 /nfs/dbraw/zinc/01/17/91/356011791.db2.gz SFFLVYVZLQYWPT-UHFFFAOYSA-N 1 2 242.273 1.366 20 0 BDADLO NC(=O)CCn1cc[nH+]c1-c1ccccc1 ZINC000043639305 181229016 /nfs/dbraw/zinc/22/90/16/181229016.db2.gz DKRPVPPITJEUEW-UHFFFAOYSA-N 1 2 215.256 1.426 20 0 BDADLO NC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000074448613 181233493 /nfs/dbraw/zinc/23/34/93/181233493.db2.gz NPZPPVFCZLUVSX-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO NC(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000074448613 181233494 /nfs/dbraw/zinc/23/34/94/181233494.db2.gz NPZPPVFCZLUVSX-UHFFFAOYSA-N 1 2 224.691 1.183 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000351871913 356104926 /nfs/dbraw/zinc/10/49/26/356104926.db2.gz BFSVJQRWXDKRAW-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cn1 ZINC000351871913 356104930 /nfs/dbraw/zinc/10/49/30/356104930.db2.gz BFSVJQRWXDKRAW-NXEZZACHSA-N 1 2 221.304 1.394 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260915 356124350 /nfs/dbraw/zinc/12/43/50/356124350.db2.gz VAXIQPIQAHZFEQ-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO Cc1ncc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000351718844 356069735 /nfs/dbraw/zinc/06/97/35/356069735.db2.gz KCMLADZRTAWCEZ-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO Cc1ncc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cn1 ZINC000351718844 356069736 /nfs/dbraw/zinc/06/97/36/356069736.db2.gz KCMLADZRTAWCEZ-SECBINFHSA-N 1 2 249.236 1.140 20 0 BDADLO CC[C@H](C)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623259201 356081409 /nfs/dbraw/zinc/08/14/09/356081409.db2.gz UNQRLKZHEHMDLW-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO COC[C@H](C)[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258876 356086665 /nfs/dbraw/zinc/08/66/65/356086665.db2.gz IMCFPTKEWKNMNF-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO COC[C@H](C)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623258876 356086666 /nfs/dbraw/zinc/08/66/66/356086666.db2.gz IMCFPTKEWKNMNF-NSHDSACASA-N 1 2 248.326 1.500 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623262646 356170791 /nfs/dbraw/zinc/17/07/91/356170791.db2.gz JXWYTRCCHIZBEH-MXWKQRLJSA-N 1 2 233.315 1.360 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262685 356172100 /nfs/dbraw/zinc/17/21/00/356172100.db2.gz LQQJYNLZHSOPHC-AXFHLTTASA-N 1 2 235.331 1.606 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261243 356144071 /nfs/dbraw/zinc/14/40/71/356144071.db2.gz HVNIVQDSHLGGEO-DLOVCJGASA-N 1 2 233.315 1.216 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccnn1C ZINC000335914236 356149109 /nfs/dbraw/zinc/14/91/09/356149109.db2.gz LKQODYNHVRARBX-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccnn1C ZINC000335914236 356149112 /nfs/dbraw/zinc/14/91/12/356149112.db2.gz LKQODYNHVRARBX-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CCC(F)(F)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000639433095 356211980 /nfs/dbraw/zinc/21/19/80/356211980.db2.gz DWAGIRNQSCKNOF-UHFFFAOYSA-N 1 2 248.317 1.832 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(F)(F)F ZINC000623263877 356227696 /nfs/dbraw/zinc/22/76/96/356227696.db2.gz ABJZHUHMUSNMJD-NKWVEPMBSA-N 1 2 247.220 1.122 20 0 BDADLO OC1(C(F)F)CC[NH+](Cc2cscn2)CC1 ZINC000336105635 134085197 /nfs/dbraw/zinc/08/51/97/134085197.db2.gz ROCXUCLGWQUCMF-UHFFFAOYSA-N 1 2 248.298 1.735 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@](C)(F)C2)ncn1 ZINC000336112154 134086932 /nfs/dbraw/zinc/08/69/32/134086932.db2.gz MFMUUDXMPDPOKD-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@](C)(F)C2)ncn1 ZINC000336112154 134086933 /nfs/dbraw/zinc/08/69/33/134086933.db2.gz MFMUUDXMPDPOKD-LLVKDONJSA-N 1 2 209.268 1.719 20 0 BDADLO CC(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000639473496 356266808 /nfs/dbraw/zinc/26/68/08/356266808.db2.gz KFMKJUCYZZWYCM-UHFFFAOYSA-N 1 2 249.236 1.466 20 0 BDADLO COc1cc(C[N@H+](C)CC(C)=O)ccc1O ZINC000639476200 356270571 /nfs/dbraw/zinc/27/05/71/356270571.db2.gz BMYRFURVZMFZRB-UHFFFAOYSA-N 1 2 223.272 1.422 20 0 BDADLO COc1cc(C[N@@H+](C)CC(C)=O)ccc1O ZINC000639476200 356270575 /nfs/dbraw/zinc/27/05/75/356270575.db2.gz BMYRFURVZMFZRB-UHFFFAOYSA-N 1 2 223.272 1.422 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](CC(C)=O)CC2 ZINC000639459350 356246610 /nfs/dbraw/zinc/24/66/10/356246610.db2.gz LCUVGPCLLGYQPD-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO COc1ccc2c(c1)C[N@H+](CC(C)=O)CC2 ZINC000639459350 356246614 /nfs/dbraw/zinc/24/66/14/356246614.db2.gz LCUVGPCLLGYQPD-UHFFFAOYSA-N 1 2 219.284 1.642 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCC1=O ZINC000336121148 134091475 /nfs/dbraw/zinc/09/14/75/134091475.db2.gz GMLLXTRSZXTNRH-LLVKDONJSA-N 1 2 243.310 1.745 20 0 BDADLO CCc1nc(C)c(C[N@@H+]2CCOCC23CC3)o1 ZINC000336126184 134092951 /nfs/dbraw/zinc/09/29/51/134092951.db2.gz PLOJFCOJUDKIFC-UHFFFAOYSA-N 1 2 236.315 1.910 20 0 BDADLO CCc1nc(C)c(C[N@H+]2CCOCC23CC3)o1 ZINC000336126184 134092952 /nfs/dbraw/zinc/09/29/52/134092952.db2.gz PLOJFCOJUDKIFC-UHFFFAOYSA-N 1 2 236.315 1.910 20 0 BDADLO CCC[N@H+](CCc1cnccn1)CC(F)F ZINC000639484676 356300565 /nfs/dbraw/zinc/30/05/65/356300565.db2.gz KIONITYQEVBQRR-UHFFFAOYSA-N 1 2 229.274 1.996 20 0 BDADLO CCC[N@@H+](CCc1cnccn1)CC(F)F ZINC000639484676 356300569 /nfs/dbraw/zinc/30/05/69/356300569.db2.gz KIONITYQEVBQRR-UHFFFAOYSA-N 1 2 229.274 1.996 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC(C2CCC2)CC1 ZINC000617770029 356332348 /nfs/dbraw/zinc/33/23/48/356332348.db2.gz UHFQZACLSQVNAN-UHFFFAOYSA-N 1 2 247.342 1.922 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+](C)C1(CN)CCC1 ZINC000420330570 192213745 /nfs/dbraw/zinc/21/37/45/192213745.db2.gz QEHNNTZTYIAFDD-UHFFFAOYSA-N 1 2 236.363 1.395 20 0 BDADLO CC[C@H]1C[N@H+](CC(C)=O)[C@@H](CC)CN1C(C)=O ZINC000639507741 356335085 /nfs/dbraw/zinc/33/50/85/356335085.db2.gz MGPXPVBVVLYHEJ-STQMWFEESA-N 1 2 240.347 1.297 20 0 BDADLO CC[C@H]1C[N@@H+](CC(C)=O)[C@@H](CC)CN1C(C)=O ZINC000639507741 356335087 /nfs/dbraw/zinc/33/50/87/356335087.db2.gz MGPXPVBVVLYHEJ-STQMWFEESA-N 1 2 240.347 1.297 20 0 BDADLO CC(C)C[C@@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623268902 356350601 /nfs/dbraw/zinc/35/06/01/356350601.db2.gz ZFXUEBGEGJJQPY-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCSC[C@@H]1CCO ZINC000639516681 356356993 /nfs/dbraw/zinc/35/69/93/356356993.db2.gz LKTXXCSQVBBYGZ-VIFPVBQESA-N 1 2 239.331 1.832 20 0 BDADLO CCC(F)(F)C[N@H+]1CCSC[C@@H]1CCO ZINC000639516681 356356996 /nfs/dbraw/zinc/35/69/96/356356996.db2.gz LKTXXCSQVBBYGZ-VIFPVBQESA-N 1 2 239.331 1.832 20 0 BDADLO CC(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000639518362 356357417 /nfs/dbraw/zinc/35/74/17/356357417.db2.gz FSENTNBAQQRWHM-UHFFFAOYSA-N 1 2 233.315 1.101 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccnc1 ZINC000336130639 134094181 /nfs/dbraw/zinc/09/41/81/134094181.db2.gz PHCVJJIUBIRLFA-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccnc1 ZINC000336130639 134094182 /nfs/dbraw/zinc/09/41/82/134094182.db2.gz PHCVJJIUBIRLFA-MEDUHNTESA-N 1 2 238.356 1.425 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]CCc2ccccn2)no1 ZINC000639529975 356378908 /nfs/dbraw/zinc/37/89/08/356378908.db2.gz NSJLIDRRLIJFDV-UHFFFAOYSA-N 1 2 246.314 1.840 20 0 BDADLO CCC[C@H](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623269462 356370429 /nfs/dbraw/zinc/37/04/29/356370429.db2.gz KGVBRIUSZMHMBS-WDEREUQCSA-N 1 2 235.331 1.750 20 0 BDADLO CCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623276855 356417975 /nfs/dbraw/zinc/41/79/75/356417975.db2.gz LSOVTHZGHNOCIU-SECBINFHSA-N 1 2 207.277 1.114 20 0 BDADLO Cn1cc[nH+]c1[C@H](Nc1cccnn1)C1CC1 ZINC000580359377 356432173 /nfs/dbraw/zinc/43/21/73/356432173.db2.gz WYKOHTVFXUMIHX-LLVKDONJSA-N 1 2 229.287 1.195 20 0 BDADLO CCc1nnc(C[N@H+](C)C2CC(OC)C2)o1 ZINC000352204214 134103987 /nfs/dbraw/zinc/10/39/87/134103987.db2.gz WWSCCAPPMXGRRV-UHFFFAOYSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2CC(OC)C2)o1 ZINC000352204214 134103988 /nfs/dbraw/zinc/10/39/88/134103988.db2.gz WWSCCAPPMXGRRV-UHFFFAOYSA-N 1 2 225.292 1.241 20 0 BDADLO CC1(C)CO[C@H](C[N@@H+]2CCc3c[nH]nc3C2)C1 ZINC000639545660 356406785 /nfs/dbraw/zinc/40/67/85/356406785.db2.gz YJTMGLMSBKMIHG-NSHDSACASA-N 1 2 235.331 1.583 20 0 BDADLO CC1(C)CO[C@H](C[N@H+]2CCc3c[nH]nc3C2)C1 ZINC000639545660 356406786 /nfs/dbraw/zinc/40/67/86/356406786.db2.gz YJTMGLMSBKMIHG-NSHDSACASA-N 1 2 235.331 1.583 20 0 BDADLO CC1(C)CO[C@H](C[N@@H+]2CCc3cn[nH]c3C2)C1 ZINC000639545660 356406787 /nfs/dbraw/zinc/40/67/87/356406787.db2.gz YJTMGLMSBKMIHG-NSHDSACASA-N 1 2 235.331 1.583 20 0 BDADLO CC1(C)CO[C@H](C[N@H+]2CCc3cn[nH]c3C2)C1 ZINC000639545660 356406788 /nfs/dbraw/zinc/40/67/88/356406788.db2.gz YJTMGLMSBKMIHG-NSHDSACASA-N 1 2 235.331 1.583 20 0 BDADLO CC(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000639554120 356456196 /nfs/dbraw/zinc/45/61/96/356456196.db2.gz KDISCYQTZBBKFP-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO CC(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000639554120 356456198 /nfs/dbraw/zinc/45/61/98/356456198.db2.gz KDISCYQTZBBKFP-UHFFFAOYSA-N 1 2 207.248 1.773 20 0 BDADLO CC[N@H+](Cc1nnc(C)n1C1CC1)C[C@H](C)O ZINC000352210673 134107374 /nfs/dbraw/zinc/10/73/74/134107374.db2.gz HHHHYLIVIZLMKJ-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO NC(=O)CC1(CNc2cccc[nH+]2)CC1 ZINC000420606914 192248546 /nfs/dbraw/zinc/24/85/46/192248546.db2.gz BSUXOJOMFMGNJY-UHFFFAOYSA-N 1 2 205.261 1.149 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(N)=O)c1ccccc1F ZINC000336163432 134111811 /nfs/dbraw/zinc/11/18/11/134111811.db2.gz IIDQCMBNQNHJTF-SNVBAGLBSA-N 1 2 248.261 1.317 20 0 BDADLO Cc1nc(N2CCC[C@@H](CCO)CC2)cc[nH+]1 ZINC000420636710 192252968 /nfs/dbraw/zinc/25/29/68/192252968.db2.gz GZACFGNPTIIMBT-GFCCVEGCSA-N 1 2 235.331 1.774 20 0 BDADLO Cc1cc(CNC(=O)CCCn2cc[nH+]c2)no1 ZINC000623281639 356465700 /nfs/dbraw/zinc/46/57/00/356465700.db2.gz HYGSJRUBKAUGDM-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000623282352 356467758 /nfs/dbraw/zinc/46/77/58/356467758.db2.gz UOUOKFPLSZWWOT-JTQLQIEISA-N 1 2 219.288 1.114 20 0 BDADLO CC[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000420651632 192255630 /nfs/dbraw/zinc/25/56/30/192255630.db2.gz KNOHNRVDSPGPAC-SNVBAGLBSA-N 1 2 234.347 1.344 20 0 BDADLO CC[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000420651632 192255633 /nfs/dbraw/zinc/25/56/33/192255633.db2.gz KNOHNRVDSPGPAC-SNVBAGLBSA-N 1 2 234.347 1.344 20 0 BDADLO Cc1cc(CNc2nnc(C)c(C)n2)cc(C)[nH+]1 ZINC000420651933 192255665 /nfs/dbraw/zinc/25/56/65/192255665.db2.gz LIMOPJDXRYLQEV-UHFFFAOYSA-N 1 2 243.314 1.534 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639588681 356511632 /nfs/dbraw/zinc/51/16/32/356511632.db2.gz SYXBAQYOZKXPJA-NXEZZACHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccns1 ZINC000639588681 356511634 /nfs/dbraw/zinc/51/16/34/356511634.db2.gz SYXBAQYOZKXPJA-NXEZZACHSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccns1 ZINC000639588684 356512003 /nfs/dbraw/zinc/51/20/03/356512003.db2.gz SYXBAQYOZKXPJA-ZJUUUORDSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccns1 ZINC000639588684 356512008 /nfs/dbraw/zinc/51/20/08/356512008.db2.gz SYXBAQYOZKXPJA-ZJUUUORDSA-N 1 2 242.344 1.115 20 0 BDADLO C1=CC[N@H+](Cc2nc(CC3CC3)no2)CC1 ZINC000639571781 356496740 /nfs/dbraw/zinc/49/67/40/356496740.db2.gz LYNFUWRZFWROBV-UHFFFAOYSA-N 1 2 219.288 1.784 20 0 BDADLO C1=CC[N@@H+](Cc2nc(CC3CC3)no2)CC1 ZINC000639571781 356496745 /nfs/dbraw/zinc/49/67/45/356496745.db2.gz LYNFUWRZFWROBV-UHFFFAOYSA-N 1 2 219.288 1.784 20 0 BDADLO COCC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289017 356498588 /nfs/dbraw/zinc/49/85/88/356498588.db2.gz KGSVLMIKEZBDEV-JTQLQIEISA-N 1 2 234.299 1.476 20 0 BDADLO COCC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289017 356498591 /nfs/dbraw/zinc/49/85/91/356498591.db2.gz KGSVLMIKEZBDEV-JTQLQIEISA-N 1 2 234.299 1.476 20 0 BDADLO CC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000639576561 356503904 /nfs/dbraw/zinc/50/39/04/356503904.db2.gz RSEIVBMHLRYZMK-JTQLQIEISA-N 1 2 219.284 1.859 20 0 BDADLO CC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000639576561 356503908 /nfs/dbraw/zinc/50/39/08/356503908.db2.gz RSEIVBMHLRYZMK-JTQLQIEISA-N 1 2 219.284 1.859 20 0 BDADLO CCC[N@H+](CCO)Cc1nn(C)cc1Cl ZINC000420901819 192268336 /nfs/dbraw/zinc/26/83/36/192268336.db2.gz LAHXDXZOYWHFTC-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO CCC[N@@H+](CCO)Cc1nn(C)cc1Cl ZINC000420901819 192268337 /nfs/dbraw/zinc/26/83/37/192268337.db2.gz LAHXDXZOYWHFTC-UHFFFAOYSA-N 1 2 231.727 1.278 20 0 BDADLO C[C@H](O)CC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420902840 192268739 /nfs/dbraw/zinc/26/87/39/192268739.db2.gz ACNFORUGYKVKLK-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO C[C@H](O)CC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420902840 192268740 /nfs/dbraw/zinc/26/87/40/192268740.db2.gz ACNFORUGYKVKLK-QMMMGPOBSA-N 1 2 231.727 1.276 20 0 BDADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(C)=O)C1 ZINC000639602399 356521118 /nfs/dbraw/zinc/52/11/18/356521118.db2.gz UGHMNDXHUCSGMT-VIFPVBQESA-N 1 2 239.237 1.619 20 0 BDADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(C)=O)C1 ZINC000639602399 356521121 /nfs/dbraw/zinc/52/11/21/356521121.db2.gz UGHMNDXHUCSGMT-VIFPVBQESA-N 1 2 239.237 1.619 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H](F)C[C@@H]2CO)c(C)s1 ZINC000336183681 134120559 /nfs/dbraw/zinc/12/05/59/134120559.db2.gz RCKHFEZEIKHAKR-VHSXEESVSA-N 1 2 244.335 1.665 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H](F)C[C@@H]2CO)c(C)s1 ZINC000336183681 134120560 /nfs/dbraw/zinc/12/05/60/134120560.db2.gz RCKHFEZEIKHAKR-VHSXEESVSA-N 1 2 244.335 1.665 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H](CC)O1 ZINC000420964966 192283711 /nfs/dbraw/zinc/28/37/11/192283711.db2.gz XPWPRCWAQQNXRF-TXEJJXNPSA-N 1 2 238.335 1.205 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H](CC)O1 ZINC000420964966 192283714 /nfs/dbraw/zinc/28/37/14/192283714.db2.gz XPWPRCWAQQNXRF-TXEJJXNPSA-N 1 2 238.335 1.205 20 0 BDADLO O=C(CCCF)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623296991 356547246 /nfs/dbraw/zinc/54/72/46/356547246.db2.gz VKPQRMLNEAWMGQ-VIFPVBQESA-N 1 2 225.267 1.064 20 0 BDADLO c1nc(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000336196367 134126287 /nfs/dbraw/zinc/12/62/87/134126287.db2.gz YMCGLYBNRVTHFF-PHIMTYICSA-N 1 2 224.329 1.549 20 0 BDADLO c1nc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000336196367 134126288 /nfs/dbraw/zinc/12/62/88/134126288.db2.gz YMCGLYBNRVTHFF-PHIMTYICSA-N 1 2 224.329 1.549 20 0 BDADLO CC(C)(C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623298114 356550776 /nfs/dbraw/zinc/55/07/76/356550776.db2.gz VRPWROSHVCWMFP-SNVBAGLBSA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@H](O)CC[C@H]2C)[nH]1 ZINC000421026007 192307328 /nfs/dbraw/zinc/30/73/28/192307328.db2.gz RMQFMYALRYPSHW-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@H](O)CC[C@H]2C)[nH]1 ZINC000421026007 192307331 /nfs/dbraw/zinc/30/73/31/192307331.db2.gz RMQFMYALRYPSHW-NXEZZACHSA-N 1 2 238.335 1.273 20 0 BDADLO c1cc(CN2CCc3[nH+]c[nH]c3C2)sn1 ZINC000639644979 356558811 /nfs/dbraw/zinc/55/88/11/356558811.db2.gz BQUVRGRDKOECRF-UHFFFAOYSA-N 1 2 220.301 1.425 20 0 BDADLO COc1cc(C)nc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421031365 192308629 /nfs/dbraw/zinc/30/86/29/192308629.db2.gz ZUOYPQJASTVFCR-AWEZNQCLSA-N 1 2 248.326 1.763 20 0 BDADLO COc1cc(C)nc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421031365 192308631 /nfs/dbraw/zinc/30/86/31/192308631.db2.gz ZUOYPQJASTVFCR-AWEZNQCLSA-N 1 2 248.326 1.763 20 0 BDADLO Cc1cc(NC(=O)N2C[C@H](O)CC[C@H]2C)cc[nH+]1 ZINC000421079136 192311842 /nfs/dbraw/zinc/31/18/42/192311842.db2.gz ARGFTZREWVKKIG-ZYHUDNBSSA-N 1 2 249.314 1.189 20 0 BDADLO CCC[N@H+](CCO)Cc1nn(C)c(C)c1Cl ZINC000421332152 192318587 /nfs/dbraw/zinc/31/85/87/192318587.db2.gz USQJXDCFYSUQJO-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO CCC[N@@H+](CCO)Cc1nn(C)c(C)c1Cl ZINC000421332152 192318589 /nfs/dbraw/zinc/31/85/89/192318589.db2.gz USQJXDCFYSUQJO-UHFFFAOYSA-N 1 2 245.754 1.586 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(CC3CC3)no2)[C@@H]1C ZINC000639656146 356571846 /nfs/dbraw/zinc/57/18/46/356571846.db2.gz PAUMJCRBAUVXCW-RKDXNWHRSA-N 1 2 221.304 1.862 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(CC3CC3)no2)[C@@H]1C ZINC000639656146 356571850 /nfs/dbraw/zinc/57/18/50/356571850.db2.gz PAUMJCRBAUVXCW-RKDXNWHRSA-N 1 2 221.304 1.862 20 0 BDADLO CC[N@H+](Cc1nc(CC2CC2)no1)[C@@H](C)CO ZINC000639657152 356572755 /nfs/dbraw/zinc/57/27/55/356572755.db2.gz MQQNBCXVMWZKME-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CC[N@@H+](Cc1nc(CC2CC2)no1)[C@@H](C)CO ZINC000639657152 356572756 /nfs/dbraw/zinc/57/27/56/356572756.db2.gz MQQNBCXVMWZKME-VIFPVBQESA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH+]c[nH]2)no1 ZINC000449908044 202050885 /nfs/dbraw/zinc/05/08/85/202050885.db2.gz ROPMLEXRHIYKSZ-UHFFFAOYSA-N 1 2 234.259 1.280 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH]c[nH+]2)no1 ZINC000449908044 202050887 /nfs/dbraw/zinc/05/08/87/202050887.db2.gz ROPMLEXRHIYKSZ-UHFFFAOYSA-N 1 2 234.259 1.280 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000639674148 356590430 /nfs/dbraw/zinc/59/04/30/356590430.db2.gz OXNZLZQCBDVRLE-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000639674148 356590432 /nfs/dbraw/zinc/59/04/32/356590432.db2.gz OXNZLZQCBDVRLE-DTWKUNHWSA-N 1 2 207.264 1.734 20 0 BDADLO Cc1nc([C@H]2CC[N@H+](Cc3ccns3)C2)n[nH]1 ZINC000639677418 356593398 /nfs/dbraw/zinc/59/33/98/356593398.db2.gz OOVBNXFLOUTTHV-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO Cc1nc([C@H]2CC[N@@H+](Cc3ccns3)C2)n[nH]1 ZINC000639677418 356593402 /nfs/dbraw/zinc/59/34/02/356593402.db2.gz OOVBNXFLOUTTHV-VIFPVBQESA-N 1 2 249.343 1.559 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303420 356593584 /nfs/dbraw/zinc/59/35/84/356593584.db2.gz BWZHIFLWHYVWOJ-WXHSDQCUSA-N 1 2 247.342 1.606 20 0 BDADLO Cc1cc(NC(=O)c2csc(=O)[nH]2)cc[nH+]1 ZINC000336216689 134137247 /nfs/dbraw/zinc/13/72/47/134137247.db2.gz TZIDLBRRNMPJEB-UHFFFAOYSA-N 1 2 235.268 1.226 20 0 BDADLO O=C(CC1CCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623306588 356607710 /nfs/dbraw/zinc/60/77/10/356607710.db2.gz QLURHZNISSRKOH-NSHDSACASA-N 1 2 233.315 1.504 20 0 BDADLO C[C@H]1COC2(CCC2)CN1c1cc(CO)cc[nH+]1 ZINC000630092393 363515155 /nfs/dbraw/zinc/51/51/55/363515155.db2.gz FHGZBCVFVMVPMY-NSHDSACASA-N 1 2 248.326 1.722 20 0 BDADLO CCCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623307973 356614550 /nfs/dbraw/zinc/61/45/50/356614550.db2.gz RWICECORVRDUIX-LLVKDONJSA-N 1 2 247.342 1.894 20 0 BDADLO CCC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304339 356595512 /nfs/dbraw/zinc/59/55/12/356595512.db2.gz WHSDGKQSTMSMEF-JTQLQIEISA-N 1 2 235.331 1.750 20 0 BDADLO CC(C)[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623305634 356600681 /nfs/dbraw/zinc/60/06/81/356600681.db2.gz WWPHXGHLXMFIQT-GHMZBOCLSA-N 1 2 235.331 1.606 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1cnc(C2CC2)o1 ZINC000639685632 356600691 /nfs/dbraw/zinc/60/06/91/356600691.db2.gz KPFCJEGIZGYMFG-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO CC[N@H+]1[C@H](C)CN(C[C@@H](OC)C2CC2)C[C@@H]1C ZINC000639742144 356630305 /nfs/dbraw/zinc/63/03/05/356630305.db2.gz IXAJHZCROAOSKW-MBNYWOFBSA-N 1 2 240.391 1.826 20 0 BDADLO CC[N@@H+]1[C@H](C)CN(C[C@@H](OC)C2CC2)C[C@@H]1C ZINC000639742144 356630308 /nfs/dbraw/zinc/63/03/08/356630308.db2.gz IXAJHZCROAOSKW-MBNYWOFBSA-N 1 2 240.391 1.826 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cnc(C2CC2)o1 ZINC000639716045 356617690 /nfs/dbraw/zinc/61/76/90/356617690.db2.gz GCOIRQVWPXFKHW-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO OCc1cc[nH+]c(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000630093493 363527010 /nfs/dbraw/zinc/52/70/10/363527010.db2.gz MBORDZYMCZTNKH-NEPJUHHUSA-N 1 2 234.299 1.553 20 0 BDADLO COc1cc(C[N@H+](C)CC(N)=O)ccc1Cl ZINC000450251747 202109357 /nfs/dbraw/zinc/10/93/57/202109357.db2.gz CXNCSDFEUSXUPX-UHFFFAOYSA-N 1 2 242.706 1.266 20 0 BDADLO COc1cc(C[N@@H+](C)CC(N)=O)ccc1Cl ZINC000450251747 202109361 /nfs/dbraw/zinc/10/93/61/202109361.db2.gz CXNCSDFEUSXUPX-UHFFFAOYSA-N 1 2 242.706 1.266 20 0 BDADLO C[C@H]1CN(c2cc(CO)cc[nH+]2)C[C@]1(C)CO ZINC000630095249 363548141 /nfs/dbraw/zinc/54/81/41/363548141.db2.gz WTPGMLAZJREBMO-GXFFZTMASA-N 1 2 236.315 1.029 20 0 BDADLO CCC[N@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450314108 202127161 /nfs/dbraw/zinc/12/71/61/202127161.db2.gz ALHGWDZPYGKGRL-UHFFFAOYSA-N 1 2 228.317 1.772 20 0 BDADLO CCC[N@@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450314108 202127165 /nfs/dbraw/zinc/12/71/65/202127165.db2.gz ALHGWDZPYGKGRL-UHFFFAOYSA-N 1 2 228.317 1.772 20 0 BDADLO CCC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000450328815 202130396 /nfs/dbraw/zinc/13/03/96/202130396.db2.gz DILQVYGBFIOBIS-JTQLQIEISA-N 1 2 231.336 1.421 20 0 BDADLO CCC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000450328815 202130399 /nfs/dbraw/zinc/13/03/99/202130399.db2.gz DILQVYGBFIOBIS-JTQLQIEISA-N 1 2 231.336 1.421 20 0 BDADLO CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000450331552 202131764 /nfs/dbraw/zinc/13/17/64/202131764.db2.gz BVMZOMNQDBEVLN-MNOVXSKESA-N 1 2 239.319 1.676 20 0 BDADLO CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000450331552 202131767 /nfs/dbraw/zinc/13/17/67/202131767.db2.gz BVMZOMNQDBEVLN-MNOVXSKESA-N 1 2 239.319 1.676 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](CCF)C1 ZINC000618689193 356651903 /nfs/dbraw/zinc/65/19/03/356651903.db2.gz GBSPGEVRDDEQKV-LLVKDONJSA-N 1 2 239.294 1.481 20 0 BDADLO COCCN1CC[C@H]([NH2+][C@@H](C)C(C)(F)F)C1 ZINC000389441007 356672437 /nfs/dbraw/zinc/67/24/37/356672437.db2.gz IBEFKRIDLDXASA-UWVGGRQHSA-N 1 2 236.306 1.340 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389480662 356687792 /nfs/dbraw/zinc/68/77/92/356687792.db2.gz UUVQZKSFFWBAKQ-YUMQZZPRSA-N 1 2 243.319 1.443 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)C(C)(F)F ZINC000389471929 356684048 /nfs/dbraw/zinc/68/40/48/356684048.db2.gz SGFZACJJRMHYLI-SSDOTTSWSA-N 1 2 203.236 1.851 20 0 BDADLO c1cn(CCc2nc(-c3cncs3)no2)c[nH+]1 ZINC000350909048 366369655 /nfs/dbraw/zinc/36/96/55/366369655.db2.gz VXFMNKCKWNPAOH-UHFFFAOYSA-N 1 2 247.283 1.632 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)no1 ZINC000639778730 356725045 /nfs/dbraw/zinc/72/50/45/356725045.db2.gz SRHXNZOEIRGIKU-NSHDSACASA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)no1 ZINC000639778730 356725049 /nfs/dbraw/zinc/72/50/49/356725049.db2.gz SRHXNZOEIRGIKU-NSHDSACASA-N 1 2 218.260 1.735 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)Cc1ccns1 ZINC000639786704 356740772 /nfs/dbraw/zinc/74/07/72/356740772.db2.gz DVTUTQGHXCVRBK-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)Cc1ccns1 ZINC000639786704 356740773 /nfs/dbraw/zinc/74/07/73/356740773.db2.gz DVTUTQGHXCVRBK-UHFFFAOYSA-N 1 2 227.333 1.053 20 0 BDADLO CCN(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000542756975 325045193 /nfs/dbraw/zinc/04/51/93/325045193.db2.gz ZFSQTPHZDSBMHT-SECBINFHSA-N 1 2 224.308 1.625 20 0 BDADLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000578189964 366374982 /nfs/dbraw/zinc/37/49/82/366374982.db2.gz LQWMVDVSPCPESB-WDEREUQCSA-N 1 2 238.335 1.375 20 0 BDADLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)c2nncn2C)C1 ZINC000578189964 366374990 /nfs/dbraw/zinc/37/49/90/366374990.db2.gz LQWMVDVSPCPESB-WDEREUQCSA-N 1 2 238.335 1.375 20 0 BDADLO COC(=O)[C@H]([NH2+]Cc1ccncc1C)C(C)C ZINC000384893407 356793171 /nfs/dbraw/zinc/79/31/71/356793171.db2.gz YZGBCYJRVAFGDI-GFCCVEGCSA-N 1 2 236.315 1.677 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000623360252 356804767 /nfs/dbraw/zinc/80/47/67/356804767.db2.gz ACQRVXNKMKSHHB-NSHDSACASA-N 1 2 235.331 1.622 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ncccc2C)CCO1 ZINC000639835026 356818856 /nfs/dbraw/zinc/81/88/56/356818856.db2.gz ANLBXLQHYUFWOE-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ncccc2C)CCO1 ZINC000639835026 356818858 /nfs/dbraw/zinc/81/88/58/356818858.db2.gz ANLBXLQHYUFWOE-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1 ZINC000639833568 356820178 /nfs/dbraw/zinc/82/01/78/356820178.db2.gz HEHUKKQIPDCPJE-ZDUSSCGKSA-N 1 2 247.298 1.139 20 0 BDADLO CO[C@H]1C[N@@H+]([C@H](C)c2cccnc2)CCO1 ZINC000639833647 356820582 /nfs/dbraw/zinc/82/05/82/356820582.db2.gz QBLMIFMAAXEOSW-ZYHUDNBSSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+]([C@H](C)c2cccnc2)CCO1 ZINC000639833647 356820585 /nfs/dbraw/zinc/82/05/85/356820585.db2.gz QBLMIFMAAXEOSW-ZYHUDNBSSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cccnc2C)CCO1 ZINC000639836933 356823839 /nfs/dbraw/zinc/82/38/39/356823839.db2.gz KTKRGCUNCDLRAO-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cccnc2C)CCO1 ZINC000639836933 356823842 /nfs/dbraw/zinc/82/38/42/356823842.db2.gz KTKRGCUNCDLRAO-LBPRGKRZSA-N 1 2 222.288 1.195 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000450486399 202182248 /nfs/dbraw/zinc/18/22/48/202182248.db2.gz SHWBDGWPANZSLX-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450486399 202182252 /nfs/dbraw/zinc/18/22/52/202182252.db2.gz SHWBDGWPANZSLX-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000450486399 202182256 /nfs/dbraw/zinc/18/22/56/202182256.db2.gz SHWBDGWPANZSLX-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450486399 202182258 /nfs/dbraw/zinc/18/22/58/202182258.db2.gz SHWBDGWPANZSLX-NSHDSACASA-N 1 2 224.308 1.052 20 0 BDADLO CC1(C(=O)CSCC[NH+]2CCOCC2)CC1 ZINC000356045657 356785979 /nfs/dbraw/zinc/78/59/79/356785979.db2.gz SQIKULOWWCRTAO-UHFFFAOYSA-N 1 2 243.372 1.421 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccnc1 ZINC000352134732 538716060 /nfs/dbraw/zinc/71/60/60/538716060.db2.gz KPHWLPCUKUWYOQ-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccnc1 ZINC000352134732 538716065 /nfs/dbraw/zinc/71/60/65/538716065.db2.gz KPHWLPCUKUWYOQ-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO CN(Cc1cccnc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000352135612 538716892 /nfs/dbraw/zinc/71/68/92/538716892.db2.gz QCUXFWMPLBSONB-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CN(Cc1cccnc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000352135612 538716909 /nfs/dbraw/zinc/71/69/09/538716909.db2.gz QCUXFWMPLBSONB-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)OC ZINC000385128140 356905499 /nfs/dbraw/zinc/90/54/99/356905499.db2.gz KVKDCPXTLJNNFC-AATLWQCWSA-N 1 2 215.293 1.094 20 0 BDADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)C(F)F ZINC000450566635 202198337 /nfs/dbraw/zinc/19/83/37/202198337.db2.gz MJDNPDAACMSLNJ-ZETCQYMHSA-N 1 2 241.245 1.819 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nnnn1C ZINC000361121685 356917321 /nfs/dbraw/zinc/91/73/21/356917321.db2.gz WOAKACYONRVQAY-SECBINFHSA-N 1 2 246.318 1.018 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000361133845 356917848 /nfs/dbraw/zinc/91/78/48/356917848.db2.gz ZWUVYSXIHMWHFP-MRVPVSSYSA-N 1 2 247.302 1.319 20 0 BDADLO CC[N@H+](Cc1cscn1)[C@H]1CCOC1 ZINC000361249000 356922227 /nfs/dbraw/zinc/92/22/27/356922227.db2.gz FFFSXVSRPBGSFH-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO CC[N@@H+](Cc1cscn1)[C@H]1CCOC1 ZINC000361249000 356922228 /nfs/dbraw/zinc/92/22/28/356922228.db2.gz FFFSXVSRPBGSFH-JTQLQIEISA-N 1 2 212.318 1.754 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1nnc[nH]1 ZINC000361276970 356923970 /nfs/dbraw/zinc/92/39/70/356923970.db2.gz QREFIKJNUZJFDE-JTQLQIEISA-N 1 2 226.324 1.034 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1nnc[nH]1 ZINC000361276970 356923975 /nfs/dbraw/zinc/92/39/75/356923975.db2.gz QREFIKJNUZJFDE-JTQLQIEISA-N 1 2 226.324 1.034 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CC1)CC2 ZINC000623379578 356902787 /nfs/dbraw/zinc/90/27/87/356902787.db2.gz ZCXHCKBMHIJDIH-VIFPVBQESA-N 1 2 219.288 1.033 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C1(CCF)CC1 ZINC000582272720 356990468 /nfs/dbraw/zinc/99/04/68/356990468.db2.gz GNZCDTGDWMZGBQ-UHFFFAOYSA-N 1 2 239.294 1.219 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@H+](C)Cc1cccnc1 ZINC000582308903 357047804 /nfs/dbraw/zinc/04/78/04/357047804.db2.gz BRKIVYVELYKELS-SNVBAGLBSA-N 1 2 243.314 1.477 20 0 BDADLO C[C@H](c1nccc(N)n1)[N@@H+](C)Cc1cccnc1 ZINC000582308903 357047809 /nfs/dbraw/zinc/04/78/09/357047809.db2.gz BRKIVYVELYKELS-SNVBAGLBSA-N 1 2 243.314 1.477 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000355268967 538790582 /nfs/dbraw/zinc/79/05/82/538790582.db2.gz QBBHBGPNBHCLRD-WDEREUQCSA-N 1 2 219.288 1.082 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000354817554 538785052 /nfs/dbraw/zinc/78/50/52/538785052.db2.gz AJJXGQCXGLZDJB-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO CC(C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000354817554 538785055 /nfs/dbraw/zinc/78/50/55/538785055.db2.gz AJJXGQCXGLZDJB-LLVKDONJSA-N 1 2 235.331 1.847 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000356678844 538812235 /nfs/dbraw/zinc/81/22/35/538812235.db2.gz QSKOOSXRVROGTN-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO CCC[C@@](C)(CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000356678844 538812242 /nfs/dbraw/zinc/81/22/42/538812242.db2.gz QSKOOSXRVROGTN-LBPRGKRZSA-N 1 2 239.319 1.010 20 0 BDADLO Cc1cc(NC(=O)NCC(C)(C)F)c(C)c[nH+]1 ZINC000639900700 357285667 /nfs/dbraw/zinc/28/56/67/357285667.db2.gz VYPPUYQTCXQWBS-UHFFFAOYSA-N 1 2 239.294 1.990 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc[nH+]1 ZINC000639901175 357286399 /nfs/dbraw/zinc/28/63/99/357286399.db2.gz VGWCSWLMPJHNEL-JBLDHEPKSA-N 1 2 249.314 1.499 20 0 BDADLO Cc1cnccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000393927273 357306809 /nfs/dbraw/zinc/30/68/09/357306809.db2.gz DHQBHLMWJHMHDP-SECBINFHSA-N 1 2 230.271 1.604 20 0 BDADLO CC(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000639895097 357258908 /nfs/dbraw/zinc/25/89/08/357258908.db2.gz XQFSNUYDIIIRNT-UHFFFAOYSA-N 1 2 205.257 1.339 20 0 BDADLO CC(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000639895097 357258913 /nfs/dbraw/zinc/25/89/13/357258913.db2.gz XQFSNUYDIIIRNT-UHFFFAOYSA-N 1 2 205.257 1.339 20 0 BDADLO Cc1nocc1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000639899828 357279767 /nfs/dbraw/zinc/27/97/67/357279767.db2.gz FKGBLMCVFCZOHH-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO CC[N@@H+]1CCO[C@H](c2nc([C@H]3C[C@@H]3C)no2)C1 ZINC000582716474 357370008 /nfs/dbraw/zinc/37/00/08/357370008.db2.gz ORKYXSFDENWJRU-GUBZILKMSA-N 1 2 237.303 1.586 20 0 BDADLO CC[N@H+]1CCO[C@H](c2nc([C@H]3C[C@@H]3C)no2)C1 ZINC000582716474 357370011 /nfs/dbraw/zinc/37/00/11/357370011.db2.gz ORKYXSFDENWJRU-GUBZILKMSA-N 1 2 237.303 1.586 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2C[C@@H](CO)C2)c(C)c[nH+]1 ZINC000639900109 357312177 /nfs/dbraw/zinc/31/21/77/357312177.db2.gz PILMUUYWMRDLMO-PHIMTYICSA-N 1 2 249.314 1.013 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](CO)C(C)C ZINC000394042441 357317003 /nfs/dbraw/zinc/31/70/03/357317003.db2.gz KYLIVWVSQYKCMJ-JTQLQIEISA-N 1 2 224.304 1.767 20 0 BDADLO Cc1occc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000582492107 357320156 /nfs/dbraw/zinc/32/01/56/357320156.db2.gz RFSJBGGSZOPXIH-UHFFFAOYSA-N 1 2 233.271 1.976 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCC(F)(F)F ZINC000582735005 357376712 /nfs/dbraw/zinc/37/67/12/357376712.db2.gz ALUAIZLSRSNWSL-UHFFFAOYSA-N 1 2 219.210 1.880 20 0 BDADLO CCC(C)(C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582669035 357359698 /nfs/dbraw/zinc/35/96/98/357359698.db2.gz WKSGNMZVSBHGHC-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CCCSCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000582671327 357360465 /nfs/dbraw/zinc/36/04/65/357360465.db2.gz LMWZCGCGCPYLRG-UHFFFAOYSA-N 1 2 241.360 1.904 20 0 BDADLO C[C@@H]1C[NH+](CCSc2c[nH]nn2)C[C@@H](C)O1 ZINC000582676734 357364981 /nfs/dbraw/zinc/36/49/81/357364981.db2.gz IUCYMTPMAFEHIT-RKDXNWHRSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@@H]1C[NH+](CCSc2cn[nH]n2)C[C@@H](C)O1 ZINC000582676734 357364984 /nfs/dbraw/zinc/36/49/84/357364984.db2.gz IUCYMTPMAFEHIT-RKDXNWHRSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@H]1C[NH+](CCSc2c[nH]nn2)C[C@H](C)O1 ZINC000582676733 357365262 /nfs/dbraw/zinc/36/52/62/357365262.db2.gz IUCYMTPMAFEHIT-IUCAKERBSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@H]1C[NH+](CCSc2cn[nH]n2)C[C@H](C)O1 ZINC000582676733 357365265 /nfs/dbraw/zinc/36/52/65/357365265.db2.gz IUCYMTPMAFEHIT-IUCAKERBSA-N 1 2 242.348 1.006 20 0 BDADLO CCn1ccnc1C[NH2+]C1(CF)CCC1 ZINC000582785062 357392661 /nfs/dbraw/zinc/39/26/61/357392661.db2.gz QIMPUTPHWARTPQ-UHFFFAOYSA-N 1 2 211.284 1.885 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000582915991 357436243 /nfs/dbraw/zinc/43/62/43/357436243.db2.gz KLPYTENGCOSCPX-UMNHJUIQSA-N 1 2 235.331 1.741 20 0 BDADLO CO[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1O ZINC000395981507 357463465 /nfs/dbraw/zinc/46/34/65/357463465.db2.gz CWOXHJMSISNGBW-CHWSQXEVSA-N 1 2 244.294 1.431 20 0 BDADLO CC(C)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583099829 357480203 /nfs/dbraw/zinc/48/02/03/357480203.db2.gz AJWBVZHTYZLHLG-GFCCVEGCSA-N 1 2 249.358 1.998 20 0 BDADLO CCCCn1nnnc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000584387408 357482365 /nfs/dbraw/zinc/48/23/65/357482365.db2.gz DCHAVLYWAWJFPB-LLVKDONJSA-N 1 2 249.362 1.871 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000584387408 357482369 /nfs/dbraw/zinc/48/23/69/357482369.db2.gz DCHAVLYWAWJFPB-LLVKDONJSA-N 1 2 249.362 1.871 20 0 BDADLO CCOC(=O)C[N@H+](C[C@H]1CC[C@H](C)O1)C1CC1 ZINC000188527303 357558743 /nfs/dbraw/zinc/55/87/43/357558743.db2.gz MWAVWXBNWPVQBM-CMPLNLGQSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@H]1CC[C@H](C)O1)C1CC1 ZINC000188527303 357558747 /nfs/dbraw/zinc/55/87/47/357558747.db2.gz MWAVWXBNWPVQBM-CMPLNLGQSA-N 1 2 241.331 1.581 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@]2(CC)CO)no1 ZINC000189614190 357649813 /nfs/dbraw/zinc/64/98/13/357649813.db2.gz KNXWHPMPXKAOLB-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@]2(CC)CO)no1 ZINC000189614190 357649815 /nfs/dbraw/zinc/64/98/15/357649815.db2.gz KNXWHPMPXKAOLB-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000189725043 357665165 /nfs/dbraw/zinc/66/51/65/357665165.db2.gz YZDXVHSVNBTBKH-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)no1 ZINC000189725043 357665171 /nfs/dbraw/zinc/66/51/71/357665171.db2.gz YZDXVHSVNBTBKH-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO Cc1nc(NC[C@H](C)N2CCCCC2=O)cc[nH+]1 ZINC000189964669 357678883 /nfs/dbraw/zinc/67/88/83/357678883.db2.gz KWYZTTQRDRCGSL-JTQLQIEISA-N 1 2 248.330 1.598 20 0 BDADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C)c(C)o1 ZINC000189942534 357676526 /nfs/dbraw/zinc/67/65/26/357676526.db2.gz PIVNKEKEPRUZMF-BDAKNGLRSA-N 1 2 249.318 1.832 20 0 BDADLO Fc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000189389794 357636186 /nfs/dbraw/zinc/63/61/86/357636186.db2.gz QXVHRHRBCDQZPA-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000189389794 357636190 /nfs/dbraw/zinc/63/61/90/357636190.db2.gz QXVHRHRBCDQZPA-LBPRGKRZSA-N 1 2 236.290 1.832 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H](C)CCCC(C)C)[C@@H](C)O ZINC000191016310 357742500 /nfs/dbraw/zinc/74/25/00/357742500.db2.gz MNBGOULKWBTEIW-TUAOUCFPSA-N 1 2 245.363 1.713 20 0 BDADLO CC[C@@H](NC(=O)c1cncn1C)c1[nH]cc[nH+]1 ZINC000233907508 357761745 /nfs/dbraw/zinc/76/17/45/357761745.db2.gz DJXFBNREQRTCHZ-MRVPVSSYSA-N 1 2 233.275 1.024 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCC(C)(C)CC1)[C@H](C)O ZINC000191966055 357807042 /nfs/dbraw/zinc/80/70/42/357807042.db2.gz QSRSMDHLGVYVJT-GXSJLCMTSA-N 1 2 243.347 1.467 20 0 BDADLO CCC1CCC([NH2+][C@H](C(=O)OC)[C@@H](C)O)CC1 ZINC000191962884 357807087 /nfs/dbraw/zinc/80/70/87/357807087.db2.gz FJKKSWFBDIKSEU-YYJSSNLHSA-N 1 2 243.347 1.467 20 0 BDADLO CSCc1cnc(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000295046765 491115089 /nfs/dbraw/zinc/11/50/89/491115089.db2.gz YSGVKLHJVCOYEG-MRVPVSSYSA-N 1 2 244.385 1.573 20 0 BDADLO CSCc1cnc(C[N@H+]2CC[C@@H](O)C2)s1 ZINC000295046765 491115091 /nfs/dbraw/zinc/11/50/91/491115091.db2.gz YSGVKLHJVCOYEG-MRVPVSSYSA-N 1 2 244.385 1.573 20 0 BDADLO COC(=O)[C@@H](C)NCc1c[nH+]c2cc(C)ccn12 ZINC000193101909 357860849 /nfs/dbraw/zinc/86/08/49/357860849.db2.gz IXGFUFBZLMNUKV-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO COC[C@@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000234906457 357836537 /nfs/dbraw/zinc/83/65/37/357836537.db2.gz FXGZVZAQUVGWAY-SNVBAGLBSA-N 1 2 239.319 1.328 20 0 BDADLO C/C=C/CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000623416534 357836557 /nfs/dbraw/zinc/83/65/57/357836557.db2.gz YLVHYVPHSDQXHF-SNAWJCMRSA-N 1 2 248.330 1.523 20 0 BDADLO C[C@@H](CO)CSCc1[nH+]ccn1C ZINC000085138406 134224064 /nfs/dbraw/zinc/22/40/64/134224064.db2.gz CAQQPDWMKIATMB-QMMMGPOBSA-N 1 2 200.307 1.282 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CC(C)(C)[C@H]2c2ccco2)C1=O ZINC000639928340 357878417 /nfs/dbraw/zinc/87/84/17/357878417.db2.gz WDHWSTRSRMMLLT-ZYHUDNBSSA-N 1 2 248.326 1.893 20 0 BDADLO CN1CC[C@@H]([N@H+]2CC(C)(C)[C@H]2c2ccco2)C1=O ZINC000639928340 357878420 /nfs/dbraw/zinc/87/84/20/357878420.db2.gz WDHWSTRSRMMLLT-ZYHUDNBSSA-N 1 2 248.326 1.893 20 0 BDADLO Cc1cc(N[C@H]2C[C@H]3CCCCN3C2=O)nc[nH+]1 ZINC000583309250 357890546 /nfs/dbraw/zinc/89/05/46/357890546.db2.gz VUCPWOOISFYVCX-MNOVXSKESA-N 1 2 246.314 1.350 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(C)(F)F ZINC000583762713 357938451 /nfs/dbraw/zinc/93/84/51/357938451.db2.gz DOPPINPGJFCUQW-YUMQZZPRSA-N 1 2 245.273 1.748 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C(C)(F)F ZINC000583762713 357938453 /nfs/dbraw/zinc/93/84/53/357938453.db2.gz DOPPINPGJFCUQW-YUMQZZPRSA-N 1 2 245.273 1.748 20 0 BDADLO Cc1ccnc(NC(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000639940324 357951020 /nfs/dbraw/zinc/95/10/20/357951020.db2.gz XMWIJDUKQQNQHV-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1nc(N[C@H]2C[C@@](C)(O)C2)c2c([nH+]1)CCCC2 ZINC000583802419 357952894 /nfs/dbraw/zinc/95/28/94/357952894.db2.gz HTVSFXBAWSGOCY-WJONMLJTSA-N 1 2 247.342 1.989 20 0 BDADLO Clc1snnc1Cn1cc[nH+]c1 ZINC000035175639 357967619 /nfs/dbraw/zinc/96/76/19/357967619.db2.gz FCPLLMNWCLEXJT-UHFFFAOYSA-N 1 2 200.654 1.436 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@H]1C[C@@H](C)O ZINC000584500684 358005253 /nfs/dbraw/zinc/00/52/53/358005253.db2.gz RTYGCDIZYOEJRQ-PWSUYJOCSA-N 1 2 235.331 1.833 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000628457577 358016572 /nfs/dbraw/zinc/01/65/72/358016572.db2.gz FDZFLUGGPTXTGN-LLVKDONJSA-N 1 2 227.283 1.279 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000628457577 358016574 /nfs/dbraw/zinc/01/65/74/358016574.db2.gz FDZFLUGGPTXTGN-LLVKDONJSA-N 1 2 227.283 1.279 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCc1cncc(C)n1 ZINC000639971181 358021106 /nfs/dbraw/zinc/02/11/06/358021106.db2.gz CFIVOOLONGZRLO-UHFFFAOYSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cncc(C)n1 ZINC000639971181 358021109 /nfs/dbraw/zinc/02/11/09/358021109.db2.gz CFIVOOLONGZRLO-UHFFFAOYSA-N 1 2 245.330 1.491 20 0 BDADLO Cc1cc(C[N@H+](C)Cc2c[nH]nc2C)nn1C ZINC000639969746 358021705 /nfs/dbraw/zinc/02/17/05/358021705.db2.gz FJZQYIJSCHQLIF-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1cc(C[N@@H+](C)Cc2c[nH]nc2C)nn1C ZINC000639969746 358021708 /nfs/dbraw/zinc/02/17/08/358021708.db2.gz FJZQYIJSCHQLIF-UHFFFAOYSA-N 1 2 233.319 1.392 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000639972514 358031865 /nfs/dbraw/zinc/03/18/65/358031865.db2.gz UHTZEGUFARNKCS-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000639972514 358031868 /nfs/dbraw/zinc/03/18/68/358031868.db2.gz UHTZEGUFARNKCS-SNVBAGLBSA-N 1 2 245.273 1.574 20 0 BDADLO NC(=O)c1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000336356636 181294429 /nfs/dbraw/zinc/29/44/29/181294429.db2.gz CXBPPFHXALUTPY-UHFFFAOYSA-N 1 2 234.274 1.845 20 0 BDADLO NC(=O)c1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000336356636 181294432 /nfs/dbraw/zinc/29/44/32/181294432.db2.gz CXBPPFHXALUTPY-UHFFFAOYSA-N 1 2 234.274 1.845 20 0 BDADLO CC(C)[C@@H]1C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584533000 358042546 /nfs/dbraw/zinc/04/25/46/358042546.db2.gz NPSPQNACGYUOBA-GRYCIOLGSA-N 1 2 235.331 1.995 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cccnc1OC ZINC000051923511 358101674 /nfs/dbraw/zinc/10/16/74/358101674.db2.gz RATJAZQOMJCLNO-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(O)C2)cc1C ZINC000639254417 491122529 /nfs/dbraw/zinc/12/25/29/491122529.db2.gz SLYIWUAEYGDLEC-UHFFFAOYSA-N 1 2 221.300 1.570 20 0 BDADLO CC[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000584638292 358124385 /nfs/dbraw/zinc/12/43/85/358124385.db2.gz LZBVFDKBLZGTPM-MRVPVSSYSA-N 1 2 209.293 1.807 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)CCn1cccn1 ZINC000584730185 358167937 /nfs/dbraw/zinc/16/79/37/358167937.db2.gz LYEIASGSSPTSRK-UHFFFAOYSA-N 1 2 231.303 1.426 20 0 BDADLO Cc1cnc(CC[N@@H+](C)Cc2cnn[nH]2)s1 ZINC000450629253 202218899 /nfs/dbraw/zinc/21/88/99/202218899.db2.gz ZVUSEMPJVKWXRG-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1cnc(CC[N@H+](C)Cc2cnn[nH]2)s1 ZINC000450629253 202218903 /nfs/dbraw/zinc/21/89/03/202218903.db2.gz ZVUSEMPJVKWXRG-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1cnc(CC[N@@H+](C)Cc2c[nH]nn2)s1 ZINC000450629253 202218904 /nfs/dbraw/zinc/21/89/04/202218904.db2.gz ZVUSEMPJVKWXRG-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1cnc(CC[N@H+](C)Cc2c[nH]nn2)s1 ZINC000450629253 202218908 /nfs/dbraw/zinc/21/89/08/202218908.db2.gz ZVUSEMPJVKWXRG-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1cnc(CC[N@@H+](C)Cc2cn[nH]n2)s1 ZINC000450629253 202218912 /nfs/dbraw/zinc/21/89/12/202218912.db2.gz ZVUSEMPJVKWXRG-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1cnc(CC[N@H+](C)Cc2cn[nH]n2)s1 ZINC000450629253 202218915 /nfs/dbraw/zinc/21/89/15/202218915.db2.gz ZVUSEMPJVKWXRG-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)C[C@@H]1CC=CCC1 ZINC000450708859 202240094 /nfs/dbraw/zinc/24/00/94/202240094.db2.gz DHMZYASROQNXTP-SNVBAGLBSA-N 1 2 206.293 1.593 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)C[C@@H]1CC=CCC1 ZINC000450708859 202240097 /nfs/dbraw/zinc/24/00/97/202240097.db2.gz DHMZYASROQNXTP-SNVBAGLBSA-N 1 2 206.293 1.593 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000450669917 202230641 /nfs/dbraw/zinc/23/06/41/202230641.db2.gz DACWFFJRCKPWPM-NXEZZACHSA-N 1 2 239.319 1.792 20 0 BDADLO NC(=O)c1ccc(CNc2cccc[nH+]2)o1 ZINC000301483237 181296134 /nfs/dbraw/zinc/29/61/34/181296134.db2.gz UIPHUZFOWKYNAA-UHFFFAOYSA-N 1 2 217.228 1.386 20 0 BDADLO CCCc1nc(C[NH2+][C@H](C)[C@H](C)CO)no1 ZINC000450731783 202248852 /nfs/dbraw/zinc/24/88/52/202248852.db2.gz AOMCPTMVCNYLTH-RKDXNWHRSA-N 1 2 227.308 1.129 20 0 BDADLO Cc1cc(NCC2(CF)CCOCC2)nc[nH+]1 ZINC000450732505 202249206 /nfs/dbraw/zinc/24/92/06/202249206.db2.gz ICNZSBONGNQLGL-UHFFFAOYSA-N 1 2 239.294 1.385 20 0 BDADLO CC(C)c1nnc(C[N@H+](C)C2CC(O)C2)s1 ZINC000450742793 202254423 /nfs/dbraw/zinc/25/44/23/202254423.db2.gz CZSOWILOTPZFGR-UHFFFAOYSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@@H+](C)C2CC(O)C2)s1 ZINC000450742793 202254425 /nfs/dbraw/zinc/25/44/25/202254425.db2.gz CZSOWILOTPZFGR-UHFFFAOYSA-N 1 2 241.360 1.617 20 0 BDADLO NC(=O)c1ccc(COc2cc[nH+]cc2)cc1 ZINC000356085427 181296660 /nfs/dbraw/zinc/29/66/60/181296660.db2.gz AWYDTOYPLAMYOI-UHFFFAOYSA-N 1 2 228.251 1.760 20 0 BDADLO O=C(CC1CCC1)NCCCn1cc[nH+]c1 ZINC000173030678 134272285 /nfs/dbraw/zinc/27/22/85/134272285.db2.gz IUEWYTOEYVVLKA-UHFFFAOYSA-N 1 2 221.304 1.580 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC(C1CC1)C1CC1 ZINC000042568037 358351339 /nfs/dbraw/zinc/35/13/39/358351339.db2.gz GTNCJAUBPQAIFO-UHFFFAOYSA-N 1 2 219.288 1.188 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1CCSC1 ZINC000228626298 358382365 /nfs/dbraw/zinc/38/23/65/358382365.db2.gz GFAZTACDLBTTAJ-SSDOTTSWSA-N 1 2 240.332 1.232 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1CCSC1 ZINC000228626298 358382368 /nfs/dbraw/zinc/38/23/68/358382368.db2.gz GFAZTACDLBTTAJ-SSDOTTSWSA-N 1 2 240.332 1.232 20 0 BDADLO O=C(C=C1CCCCC1)NCCn1cc[nH+]c1 ZINC000055994311 363608497 /nfs/dbraw/zinc/60/84/97/363608497.db2.gz SOFRPZZMEHFBHL-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000249368924 535424157 /nfs/dbraw/zinc/42/41/57/535424157.db2.gz OSGADUUQRDLZRD-ZYHUDNBSSA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+](C[C@H]1CCCO1)C1CC1 ZINC000249368924 535424160 /nfs/dbraw/zinc/42/41/60/535424160.db2.gz OSGADUUQRDLZRD-ZYHUDNBSSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130181715 358611344 /nfs/dbraw/zinc/61/13/44/358611344.db2.gz BIDMBSXCAZHTOD-LLVKDONJSA-N 1 2 235.331 1.608 20 0 BDADLO CC(C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130870393 358650695 /nfs/dbraw/zinc/65/06/95/358650695.db2.gz YJAMUZOXZGLPNR-GFCCVEGCSA-N 1 2 249.358 1.998 20 0 BDADLO CCCc1nc(C[N@H+](CCC)CCO)no1 ZINC000048755831 358653394 /nfs/dbraw/zinc/65/33/94/358653394.db2.gz UUHQMVNIRUJRFU-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCc1nc(C[N@@H+](CCC)CCO)no1 ZINC000048755831 358653395 /nfs/dbraw/zinc/65/33/95/358653395.db2.gz UUHQMVNIRUJRFU-UHFFFAOYSA-N 1 2 227.308 1.226 20 0 BDADLO CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131652072 358687723 /nfs/dbraw/zinc/68/77/23/358687723.db2.gz KVVHNHNFCLBHDJ-SNVBAGLBSA-N 1 2 221.304 1.314 20 0 BDADLO CC(C)[C@H](O)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000213338972 358697831 /nfs/dbraw/zinc/69/78/31/358697831.db2.gz OHNYSLLEVCXYFA-NSHDSACASA-N 1 2 237.303 1.175 20 0 BDADLO Cc1nc(N2CCO[C@@H](c3ccco3)C2)cc[nH+]1 ZINC000133381297 358752440 /nfs/dbraw/zinc/75/24/40/358752440.db2.gz SRDHQUNIMYMWSV-GFCCVEGCSA-N 1 2 245.282 1.956 20 0 BDADLO CC[N@H+](CCC(=O)OC)CC(=O)OC(C)(C)C ZINC000050054612 358710508 /nfs/dbraw/zinc/71/05/08/358710508.db2.gz DBTLSBPWCPMUSX-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CC[N@@H+](CCC(=O)OC)CC(=O)OC(C)(C)C ZINC000050054612 358710514 /nfs/dbraw/zinc/71/05/14/358710514.db2.gz DBTLSBPWCPMUSX-UHFFFAOYSA-N 1 2 245.319 1.213 20 0 BDADLO CN(CC1CCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132351170 358719448 /nfs/dbraw/zinc/71/94/48/358719448.db2.gz LFCSZDMNCNIZJR-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000132398768 358721368 /nfs/dbraw/zinc/72/13/68/358721368.db2.gz SDFUFWCGKDBREC-MNOVXSKESA-N 1 2 249.358 1.996 20 0 BDADLO CCn1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC)cn1 ZINC000050544028 358733475 /nfs/dbraw/zinc/73/34/75/358733475.db2.gz CZTKULSGRITOHL-LLVKDONJSA-N 1 2 237.303 1.040 20 0 BDADLO CCn1cc(C[N@H+]2CCC[C@@H]2C(=O)OC)cn1 ZINC000050544028 358733478 /nfs/dbraw/zinc/73/34/78/358733478.db2.gz CZTKULSGRITOHL-LLVKDONJSA-N 1 2 237.303 1.040 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(C2CC2)on1 ZINC000135073463 358819104 /nfs/dbraw/zinc/81/91/04/358819104.db2.gz XGIFTVNKDRMWCD-UHFFFAOYSA-N 1 2 246.270 1.248 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC1 ZINC000578245748 366469963 /nfs/dbraw/zinc/46/99/63/366469963.db2.gz XSYLHXKUVDQISL-MRVPVSSYSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC1 ZINC000578245748 366469966 /nfs/dbraw/zinc/46/99/66/366469966.db2.gz XSYLHXKUVDQISL-MRVPVSSYSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000578226989 366462167 /nfs/dbraw/zinc/46/21/67/366462167.db2.gz AMJLWJQOCALDAB-LCIHJAJSSA-N 1 2 228.683 1.038 20 0 BDADLO C[C@@]1(O)C[C@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000578226989 366462172 /nfs/dbraw/zinc/46/21/72/366462172.db2.gz AMJLWJQOCALDAB-LCIHJAJSSA-N 1 2 228.683 1.038 20 0 BDADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](O)C2)c(C)[nH]1 ZINC000052395954 358780524 /nfs/dbraw/zinc/78/05/24/358780524.db2.gz BNJBJMVDWAIWLB-NSHDSACASA-N 1 2 236.315 1.271 20 0 BDADLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](O)C2)c(C)[nH]1 ZINC000052395954 358780527 /nfs/dbraw/zinc/78/05/27/358780527.db2.gz BNJBJMVDWAIWLB-NSHDSACASA-N 1 2 236.315 1.271 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CC2(CC2)C1 ZINC000613668796 363617384 /nfs/dbraw/zinc/61/73/84/363617384.db2.gz BMBPMSUJENACPU-LLVKDONJSA-N 1 2 245.326 1.504 20 0 BDADLO COCC1(CC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000578238435 366466574 /nfs/dbraw/zinc/46/65/74/366466574.db2.gz BEBUGQMXELGPKH-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO CN(C[C@@H]1CCOC1)c1cc(NC2CC2)[nH+]cn1 ZINC000578302368 366477276 /nfs/dbraw/zinc/47/72/76/366477276.db2.gz PTHZAEIPPHVGJH-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO CN(C[C@@H]1CCOC1)c1cc(NC2CC2)nc[nH+]1 ZINC000578302368 366477278 /nfs/dbraw/zinc/47/72/78/366477278.db2.gz PTHZAEIPPHVGJH-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055052385 358880738 /nfs/dbraw/zinc/88/07/38/358880738.db2.gz NHQCQMDPJUMRNV-SNVBAGLBSA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055052385 358880740 /nfs/dbraw/zinc/88/07/40/358880740.db2.gz NHQCQMDPJUMRNV-SNVBAGLBSA-N 1 2 238.331 1.935 20 0 BDADLO C[C@H](O)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000136756017 358885421 /nfs/dbraw/zinc/88/54/21/358885421.db2.gz UTNWHGDCXBPUIT-QMMMGPOBSA-N 1 2 231.255 1.396 20 0 BDADLO CC[C@H](NC(=O)c1ccccn1)c1[nH]cc[nH+]1 ZINC000140500920 358922774 /nfs/dbraw/zinc/92/27/74/358922774.db2.gz AMEPXYCXWIXMEO-VIFPVBQESA-N 1 2 230.271 1.686 20 0 BDADLO CC[C@@H](NC(=O)c1cccn1C)c1[nH]cc[nH+]1 ZINC000140537251 358923504 /nfs/dbraw/zinc/92/35/04/358923504.db2.gz VECBBUHJMIUTAZ-SECBINFHSA-N 1 2 232.287 1.629 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000141355964 358930036 /nfs/dbraw/zinc/93/00/36/358930036.db2.gz CNGPBXUQRIHDBO-UWVGGRQHSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000141355964 358930040 /nfs/dbraw/zinc/93/00/40/358930040.db2.gz CNGPBXUQRIHDBO-UWVGGRQHSA-N 1 2 229.320 1.437 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1CCCC1 ZINC000061512808 358933935 /nfs/dbraw/zinc/93/39/35/358933935.db2.gz LUCNLELOXIZYCU-UHFFFAOYSA-N 1 2 221.304 1.569 20 0 BDADLO CCc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351414168 366523214 /nfs/dbraw/zinc/52/32/14/366523214.db2.gz YAAVOHFFHYAFAJ-MRVPVSSYSA-N 1 2 206.249 1.632 20 0 BDADLO C[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000308831038 491138604 /nfs/dbraw/zinc/13/86/04/491138604.db2.gz GGEPCHSVMVWFBV-MRVPVSSYSA-N 1 2 209.293 1.567 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1ccco1 ZINC000070979096 359067603 /nfs/dbraw/zinc/06/76/03/359067603.db2.gz FVAXMXADCSSIHH-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000070978956 359067832 /nfs/dbraw/zinc/06/78/32/359067832.db2.gz WZHYQSYCHSZUPN-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2cc[nH]c2c1 ZINC000070991222 359069883 /nfs/dbraw/zinc/06/98/83/359069883.db2.gz DSGFTRMQRWWPFF-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1cccc(O)c1 ZINC000071203162 359073855 /nfs/dbraw/zinc/07/38/55/359073855.db2.gz SWRYTEPRJAPRGH-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnn3ccccc23)no1 ZINC000071373377 359077907 /nfs/dbraw/zinc/07/79/07/359077907.db2.gz GSJYSTNSRXJZQC-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)NC1CC1 ZINC000072979555 359094193 /nfs/dbraw/zinc/09/41/93/359094193.db2.gz KMBJOSWTECYFEH-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)NC1CC1 ZINC000072979555 359094195 /nfs/dbraw/zinc/09/41/95/359094195.db2.gz KMBJOSWTECYFEH-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO COc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000073172180 359097277 /nfs/dbraw/zinc/09/72/77/359097277.db2.gz HZXXFHFFXAVOQA-UHFFFAOYSA-N 1 2 245.282 1.208 20 0 BDADLO Fc1ccc(F)c(C[NH2+]Cc2ncc[nH]2)c1 ZINC000070621529 359060845 /nfs/dbraw/zinc/06/08/45/359060845.db2.gz OYMBASHGJBJLKR-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO Fc1ccc(F)c(CNCc2[nH]cc[nH+]2)c1 ZINC000070621529 359060848 /nfs/dbraw/zinc/06/08/48/359060848.db2.gz OYMBASHGJBJLKR-UHFFFAOYSA-N 1 2 223.226 1.978 20 0 BDADLO O=C(NC1CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000074902452 359133020 /nfs/dbraw/zinc/13/30/20/359133020.db2.gz ZRKPXCJIIQIRMD-UHFFFAOYSA-N 1 2 248.330 1.741 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@H+](C)[C@H]1C=CCCC1 ZINC000611210152 359142562 /nfs/dbraw/zinc/14/25/62/359142562.db2.gz RWGVZDRNZHADHI-NWDGAFQWSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@@H+](C)[C@H]1C=CCCC1 ZINC000611210152 359142565 /nfs/dbraw/zinc/14/25/65/359142565.db2.gz RWGVZDRNZHADHI-NWDGAFQWSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247125415 359194896 /nfs/dbraw/zinc/19/48/96/359194896.db2.gz WSXXLWNGWZYLRV-SRVKXCTJSA-N 1 2 243.347 1.683 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000247997139 359251814 /nfs/dbraw/zinc/25/18/14/359251814.db2.gz JZOVEPOFIQDJGH-DCAQKATOSA-N 1 2 228.336 1.010 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000247997139 359251822 /nfs/dbraw/zinc/25/18/22/359251822.db2.gz JZOVEPOFIQDJGH-DCAQKATOSA-N 1 2 228.336 1.010 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)CC[C@@H](C)O)n1 ZINC000075783872 359210297 /nfs/dbraw/zinc/21/02/97/359210297.db2.gz HTPUNKMTTRKLTR-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)CC[C@@H](C)O)n1 ZINC000075783872 359210298 /nfs/dbraw/zinc/21/02/98/359210298.db2.gz HTPUNKMTTRKLTR-SNVBAGLBSA-N 1 2 241.335 1.471 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCC(C)=O ZINC000633286831 359289805 /nfs/dbraw/zinc/28/98/05/359289805.db2.gz FLHATRNSGIGWLN-SNVBAGLBSA-N 1 2 237.303 1.449 20 0 BDADLO CCCCc1cc(NC[C@@H](O)CCC)nc[nH+]1 ZINC000631117590 359303883 /nfs/dbraw/zinc/30/38/83/359303883.db2.gz PIOWOXFJTGNEOV-LBPRGKRZSA-N 1 2 237.347 1.814 20 0 BDADLO COCc1cc(C[NH2+]C[C@@H]2CCCN2C)no1 ZINC000628476962 359311851 /nfs/dbraw/zinc/31/18/51/359311851.db2.gz ABCLDXNZKCPRQL-NSHDSACASA-N 1 2 239.319 1.005 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501635 359383843 /nfs/dbraw/zinc/38/38/43/359383843.db2.gz GAZXBKWKJDLSFB-VGMNWLOBSA-N 1 2 203.257 1.228 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501635 359383848 /nfs/dbraw/zinc/38/38/48/359383848.db2.gz GAZXBKWKJDLSFB-VGMNWLOBSA-N 1 2 203.257 1.228 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580501 359397975 /nfs/dbraw/zinc/39/79/75/359397975.db2.gz WQJPFNLLSGWZKK-QMMMGPOBSA-N 1 2 237.246 1.253 20 0 BDADLO CCOC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580501 359397979 /nfs/dbraw/zinc/39/79/79/359397979.db2.gz WQJPFNLLSGWZKK-QMMMGPOBSA-N 1 2 237.246 1.253 20 0 BDADLO CO[C@H](C(=O)NCc1[nH]c[nH+]c1C)C1CCC1 ZINC000611794498 359452695 /nfs/dbraw/zinc/45/26/95/359452695.db2.gz JDEJGOJAXJPDJZ-NSHDSACASA-N 1 2 237.303 1.149 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC[C@@H]1CF ZINC000580465452 359570200 /nfs/dbraw/zinc/57/02/00/359570200.db2.gz JPGJJEBWURPVOJ-SSDOTTSWSA-N 1 2 226.255 1.006 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC[C@@H]1CF ZINC000580465452 359570202 /nfs/dbraw/zinc/57/02/02/359570202.db2.gz JPGJJEBWURPVOJ-SSDOTTSWSA-N 1 2 226.255 1.006 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)[C@H](C)O ZINC000450804251 202271243 /nfs/dbraw/zinc/27/12/43/202271243.db2.gz XWHILNYASPUMFE-VHSXEESVSA-N 1 2 223.320 1.593 20 0 BDADLO c1nn[nH]c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000450822630 202274386 /nfs/dbraw/zinc/27/43/86/202274386.db2.gz BQXVFRSJMUBHCR-LBPRGKRZSA-N 1 2 236.319 1.196 20 0 BDADLO c1[nH]nnc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000450822630 202274390 /nfs/dbraw/zinc/27/43/90/202274390.db2.gz BQXVFRSJMUBHCR-LBPRGKRZSA-N 1 2 236.319 1.196 20 0 BDADLO c1n[nH]nc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000450822630 202274392 /nfs/dbraw/zinc/27/43/92/202274392.db2.gz BQXVFRSJMUBHCR-LBPRGKRZSA-N 1 2 236.319 1.196 20 0 BDADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H](O)CC ZINC000450862909 202291824 /nfs/dbraw/zinc/29/18/24/202291824.db2.gz RFAIYTGWFHVMLT-MNOVXSKESA-N 1 2 235.331 1.737 20 0 BDADLO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cnn[nH]1 ZINC000450836205 202283482 /nfs/dbraw/zinc/28/34/82/202283482.db2.gz ARMACUGAPPNZCN-LBPRGKRZSA-N 1 2 244.298 1.678 20 0 BDADLO c1n[nH]c(=NC2CC[NH+](C3CCC3)CC2)s1 ZINC000450884296 202298074 /nfs/dbraw/zinc/29/80/74/202298074.db2.gz ZNUINXDXENVZCR-UHFFFAOYSA-N 1 2 238.360 1.389 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612308747 359780131 /nfs/dbraw/zinc/78/01/31/359780131.db2.gz JKWFQKJGGMBJAJ-AXFHLTTASA-N 1 2 247.342 1.914 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612308747 359780134 /nfs/dbraw/zinc/78/01/34/359780134.db2.gz JKWFQKJGGMBJAJ-AXFHLTTASA-N 1 2 247.342 1.914 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612308750 359780223 /nfs/dbraw/zinc/78/02/23/359780223.db2.gz JKWFQKJGGMBJAJ-MXWKQRLJSA-N 1 2 247.342 1.914 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612308750 359780228 /nfs/dbraw/zinc/78/02/28/359780228.db2.gz JKWFQKJGGMBJAJ-MXWKQRLJSA-N 1 2 247.342 1.914 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1C[C@@H]2C[C@@H]2C1 ZINC000628507752 359797643 /nfs/dbraw/zinc/79/76/43/359797643.db2.gz IITAXNLUPYUESK-PHIMTYICSA-N 1 2 227.267 1.426 20 0 BDADLO CC1(C)CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC000578409906 366559029 /nfs/dbraw/zinc/55/90/29/366559029.db2.gz COEYNQVQPFZMBO-UHFFFAOYSA-N 1 2 221.304 1.436 20 0 BDADLO CO[C@@H](C)C[N@H+](C)[C@H](C)c1csnn1 ZINC000450991635 202330414 /nfs/dbraw/zinc/33/04/14/202330414.db2.gz NEBTYVYYVDTTOK-JGVFFNPUSA-N 1 2 215.322 1.566 20 0 BDADLO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1csnn1 ZINC000450991635 202330417 /nfs/dbraw/zinc/33/04/17/202330417.db2.gz NEBTYVYYVDTTOK-JGVFFNPUSA-N 1 2 215.322 1.566 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450990472 202330481 /nfs/dbraw/zinc/33/04/81/202330481.db2.gz ITYYWMFGHHNIDJ-SNVBAGLBSA-N 1 2 238.335 1.155 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450990472 202330485 /nfs/dbraw/zinc/33/04/85/202330485.db2.gz ITYYWMFGHHNIDJ-SNVBAGLBSA-N 1 2 238.335 1.155 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nc(C(=O)OC)cs1 ZINC000451064390 202343837 /nfs/dbraw/zinc/34/38/37/202343837.db2.gz IOMBRZYFIBMHNJ-MRVPVSSYSA-N 1 2 240.328 1.914 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nc(C(=O)OC)cs1 ZINC000451064390 202343840 /nfs/dbraw/zinc/34/38/40/202343840.db2.gz IOMBRZYFIBMHNJ-MRVPVSSYSA-N 1 2 240.328 1.914 20 0 BDADLO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451117171 202356914 /nfs/dbraw/zinc/35/69/14/202356914.db2.gz UPLDMBKIXHQPPP-ZDUSSCGKSA-N 1 2 242.338 1.679 20 0 BDADLO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451117171 202356918 /nfs/dbraw/zinc/35/69/18/202356918.db2.gz UPLDMBKIXHQPPP-ZDUSSCGKSA-N 1 2 242.338 1.679 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)NCC1CCCCC1 ZINC000451181996 202369910 /nfs/dbraw/zinc/36/99/10/202369910.db2.gz GHSQYGNBPSGBGX-LBPRGKRZSA-N 1 2 242.338 1.727 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)NCC1CCCCC1 ZINC000451181996 202369913 /nfs/dbraw/zinc/36/99/13/202369913.db2.gz GHSQYGNBPSGBGX-LBPRGKRZSA-N 1 2 242.338 1.727 20 0 BDADLO Cc1oncc1C[N@H+](C1CC1)C1COC1 ZINC000451123244 202360838 /nfs/dbraw/zinc/36/08/38/202360838.db2.gz CISVFVGTKXTYDD-UHFFFAOYSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1oncc1C[N@@H+](C1CC1)C1COC1 ZINC000451123244 202360841 /nfs/dbraw/zinc/36/08/41/202360841.db2.gz CISVFVGTKXTYDD-UHFFFAOYSA-N 1 2 208.261 1.346 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451184713 202373166 /nfs/dbraw/zinc/37/31/66/202373166.db2.gz KUOHGMMQGIDCSS-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451184713 202373168 /nfs/dbraw/zinc/37/31/68/202373168.db2.gz KUOHGMMQGIDCSS-UWVGGRQHSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451184714 202373555 /nfs/dbraw/zinc/37/35/55/202373555.db2.gz KUOHGMMQGIDCSS-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451184714 202373558 /nfs/dbraw/zinc/37/35/58/202373558.db2.gz KUOHGMMQGIDCSS-VHSXEESVSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451194627 202376348 /nfs/dbraw/zinc/37/63/48/202376348.db2.gz WGPNEAMHNHJRMD-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451194627 202376350 /nfs/dbraw/zinc/37/63/50/202376350.db2.gz WGPNEAMHNHJRMD-GHMZBOCLSA-N 1 2 230.327 1.581 20 0 BDADLO COc1ncc(C[N@@H+]2CC[C@H](F)C2)c(C)n1 ZINC000451197468 202379873 /nfs/dbraw/zinc/37/98/73/202379873.db2.gz OHWIPXDHTQYWEY-JTQLQIEISA-N 1 2 225.267 1.337 20 0 BDADLO COc1ncc(C[N@H+]2CC[C@H](F)C2)c(C)n1 ZINC000451197468 202379876 /nfs/dbraw/zinc/37/98/76/202379876.db2.gz OHWIPXDHTQYWEY-JTQLQIEISA-N 1 2 225.267 1.337 20 0 BDADLO C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)CO ZINC000451244045 202385703 /nfs/dbraw/zinc/38/57/03/202385703.db2.gz MCZHTZTWHVZRLD-UHFFFAOYSA-N 1 2 231.336 1.278 20 0 BDADLO C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)CO ZINC000451244045 202385706 /nfs/dbraw/zinc/38/57/06/202385706.db2.gz MCZHTZTWHVZRLD-UHFFFAOYSA-N 1 2 231.336 1.278 20 0 BDADLO CC[N@H+](Cc1cccnc1OC)C1COC1 ZINC000451285260 202395365 /nfs/dbraw/zinc/39/53/65/202395365.db2.gz LJHBOCCJOUSFBG-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@@H+](Cc1cccnc1OC)C1COC1 ZINC000451285260 202395369 /nfs/dbraw/zinc/39/53/69/202395369.db2.gz LJHBOCCJOUSFBG-UHFFFAOYSA-N 1 2 222.288 1.311 20 0 BDADLO CC[N@H+](Cc1ccc(F)cn1)C1COC1 ZINC000451290383 202396321 /nfs/dbraw/zinc/39/63/21/202396321.db2.gz WZECDEANJJXHMU-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO CC[N@@H+](Cc1ccc(F)cn1)C1COC1 ZINC000451290383 202396325 /nfs/dbraw/zinc/39/63/25/202396325.db2.gz WZECDEANJJXHMU-UHFFFAOYSA-N 1 2 210.252 1.441 20 0 BDADLO CCCCN(CC)C(=O)C[N@H+](CC)C1COC1 ZINC000451286933 202396396 /nfs/dbraw/zinc/39/63/96/202396396.db2.gz QJRYHCABXXMEQX-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO CCCCN(CC)C(=O)C[N@@H+](CC)C1COC1 ZINC000451286933 202396400 /nfs/dbraw/zinc/39/64/00/202396400.db2.gz QJRYHCABXXMEQX-UHFFFAOYSA-N 1 2 242.363 1.356 20 0 BDADLO Cc1ccccc1[C@H](CO)[NH2+]CC(F)F ZINC000309164920 491146022 /nfs/dbraw/zinc/14/60/22/491146022.db2.gz IOZKHBZOBXGHPN-JTQLQIEISA-N 1 2 215.243 1.883 20 0 BDADLO CCCCCNC(=O)C[N@H+](CC)C1COC1 ZINC000451283391 202393479 /nfs/dbraw/zinc/39/34/79/202393479.db2.gz HKVITUCIJNSWAE-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO CCCCCNC(=O)C[N@@H+](CC)C1COC1 ZINC000451283391 202393482 /nfs/dbraw/zinc/39/34/82/202393482.db2.gz HKVITUCIJNSWAE-UHFFFAOYSA-N 1 2 228.336 1.014 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000578725058 366632022 /nfs/dbraw/zinc/63/20/22/366632022.db2.gz AFTKIVIMIDMBAO-UHFFFAOYSA-N 1 2 245.286 1.503 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000578875425 366664652 /nfs/dbraw/zinc/66/46/52/366664652.db2.gz OVWXYZGNJXNTFQ-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@H](F)C1 ZINC000578875425 366664656 /nfs/dbraw/zinc/66/46/56/366664656.db2.gz OVWXYZGNJXNTFQ-JTQLQIEISA-N 1 2 211.284 1.837 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccn(C)c2)n1 ZINC000578881554 366666334 /nfs/dbraw/zinc/66/63/34/366666334.db2.gz DBLYHXPJLGMVCH-SECBINFHSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccn(C)c2)n1 ZINC000578881554 366666337 /nfs/dbraw/zinc/66/63/37/366666337.db2.gz DBLYHXPJLGMVCH-SECBINFHSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1nnc(CCNc2nc(C)[nH+]cc2C)s1 ZINC000578905402 366672589 /nfs/dbraw/zinc/67/25/89/366672589.db2.gz BQVZPYKTKYUXDQ-UHFFFAOYSA-N 1 2 249.343 1.330 20 0 BDADLO C[C@@H](Oc1ccccc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000088753063 359975168 /nfs/dbraw/zinc/97/51/68/359975168.db2.gz CBNUAPAVVSMSSM-SNVBAGLBSA-N 1 2 245.282 1.493 20 0 BDADLO C[C@@H](Oc1ccccc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000088753063 359975173 /nfs/dbraw/zinc/97/51/73/359975173.db2.gz CBNUAPAVVSMSSM-SNVBAGLBSA-N 1 2 245.282 1.493 20 0 BDADLO Cc1ccc(C)c(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088753246 359975510 /nfs/dbraw/zinc/97/55/10/359975510.db2.gz ZPZOYYMGTHVSCK-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1ccc(C)c(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088753246 359975511 /nfs/dbraw/zinc/97/55/11/359975511.db2.gz ZPZOYYMGTHVSCK-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO O=C(CCc1ccccc1)NCc1c[nH+]c[nH]1 ZINC000088753053 359975789 /nfs/dbraw/zinc/97/57/89/359975789.db2.gz PWWQKPJMNWLEQN-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO O=C(CCc1ccccc1)NCc1c[nH]c[nH+]1 ZINC000088753053 359975791 /nfs/dbraw/zinc/97/57/91/359975791.db2.gz PWWQKPJMNWLEQN-UHFFFAOYSA-N 1 2 229.283 1.659 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[C@@H]3C1)CC2 ZINC000628520520 360009761 /nfs/dbraw/zinc/00/97/61/360009761.db2.gz QZYRMJFENGXGFX-UTUOFQBUSA-N 1 2 245.326 1.232 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612695452 360011130 /nfs/dbraw/zinc/01/11/30/360011130.db2.gz JMAUHRKXKIBFRU-VHSXEESVSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612695452 360011131 /nfs/dbraw/zinc/01/11/31/360011131.db2.gz JMAUHRKXKIBFRU-VHSXEESVSA-N 1 2 247.342 1.819 20 0 BDADLO CO[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)C1CCC1 ZINC000612748239 360041174 /nfs/dbraw/zinc/04/11/74/360041174.db2.gz YIAQCGJDWXOSJC-CYBMUJFWSA-N 1 2 248.326 1.874 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007679 360052552 /nfs/dbraw/zinc/05/25/52/360052552.db2.gz CGCPIHLGNXNIIN-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090007679 360052557 /nfs/dbraw/zinc/05/25/57/360052557.db2.gz CGCPIHLGNXNIIN-LLVKDONJSA-N 1 2 240.347 1.012 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc(C(N)=O)cc1 ZINC000090153459 360058905 /nfs/dbraw/zinc/05/89/05/360058905.db2.gz WQMFKNUFZLSGMJ-UHFFFAOYSA-N 1 2 230.271 1.131 20 0 BDADLO Cc1ccoc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042309 360147648 /nfs/dbraw/zinc/14/76/48/360147648.db2.gz YYKVAPCTEJUTOK-WDEREUQCSA-N 1 2 225.288 1.170 20 0 BDADLO Cc1ccoc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000092042309 360147651 /nfs/dbraw/zinc/14/76/51/360147651.db2.gz YYKVAPCTEJUTOK-WDEREUQCSA-N 1 2 225.288 1.170 20 0 BDADLO CN(CC(=O)Nc1ccccc1)Cc1c[nH+]c[nH]1 ZINC000091901898 360135159 /nfs/dbraw/zinc/13/51/59/360135159.db2.gz IJWWXEGSIVNYKW-UHFFFAOYSA-N 1 2 244.298 1.480 20 0 BDADLO CN(CC(=O)Nc1ccccc1)Cc1c[nH]c[nH+]1 ZINC000091901898 360135160 /nfs/dbraw/zinc/13/51/60/360135160.db2.gz IJWWXEGSIVNYKW-UHFFFAOYSA-N 1 2 244.298 1.480 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000091917357 360136650 /nfs/dbraw/zinc/13/66/50/360136650.db2.gz JXSNCDLYQWBGTK-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000091917357 360136651 /nfs/dbraw/zinc/13/66/51/360136651.db2.gz JXSNCDLYQWBGTK-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000092447745 360172238 /nfs/dbraw/zinc/17/22/38/360172238.db2.gz FRHXLLBAIKSSLL-MWLCHTKSSA-N 1 2 220.272 1.754 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)cc1 ZINC000093050519 360212028 /nfs/dbraw/zinc/21/20/28/360212028.db2.gz MXKOCGZQPSOOLN-ZDUSSCGKSA-N 1 2 248.326 1.406 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000093050519 360212030 /nfs/dbraw/zinc/21/20/30/360212030.db2.gz MXKOCGZQPSOOLN-ZDUSSCGKSA-N 1 2 248.326 1.406 20 0 BDADLO CCCn1nccc1C(=O)Nc1cc[nH+]cc1O ZINC000613086203 360347993 /nfs/dbraw/zinc/34/79/93/360347993.db2.gz JRCVTQOYCBRWGJ-UHFFFAOYSA-N 1 2 246.270 1.068 20 0 BDADLO Cc1ncccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000096477297 360348570 /nfs/dbraw/zinc/34/85/70/360348570.db2.gz HFNNUJMYFVMXIB-UHFFFAOYSA-N 1 2 230.271 1.385 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCCCC1 ZINC000096643166 360351138 /nfs/dbraw/zinc/35/11/38/360351138.db2.gz HFOMJAJSSHQERE-GFCCVEGCSA-N 1 2 247.342 1.848 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000578966118 366681284 /nfs/dbraw/zinc/68/12/84/366681284.db2.gz KTHMHSDENRNXKW-IAZYJMLFSA-N 1 2 226.320 1.112 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000578966118 366681285 /nfs/dbraw/zinc/68/12/85/366681285.db2.gz KTHMHSDENRNXKW-IAZYJMLFSA-N 1 2 226.320 1.112 20 0 BDADLO CC(C)(F)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000633719191 360356195 /nfs/dbraw/zinc/35/61/95/360356195.db2.gz AGAPWRPZAKTWBA-VIFPVBQESA-N 1 2 239.294 1.310 20 0 BDADLO CCCCc1cc(NC[C@H](O)C2CC2)nc[nH+]1 ZINC000631099809 360534359 /nfs/dbraw/zinc/53/43/59/360534359.db2.gz ZCZJPVJTTUNPBS-LBPRGKRZSA-N 1 2 235.331 1.424 20 0 BDADLO OC[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000138340753 360582635 /nfs/dbraw/zinc/58/26/35/360582635.db2.gz HFPJRLDYRQDJEM-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO OC[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000138340753 360582639 /nfs/dbraw/zinc/58/26/39/360582639.db2.gz HFPJRLDYRQDJEM-JTQLQIEISA-N 1 2 237.303 1.294 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCC(F)(F)CC1 ZINC000628628548 360585201 /nfs/dbraw/zinc/58/52/01/360585201.db2.gz BBZIWOZCWLLCBE-UHFFFAOYSA-N 1 2 243.257 1.531 20 0 BDADLO CCn1ccc(C[NH2+]Cc2cc(C)no2)n1 ZINC000631162930 360659645 /nfs/dbraw/zinc/65/96/45/360659645.db2.gz ZKUMDPAPHQRJQO-UHFFFAOYSA-N 1 2 220.276 1.489 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC000628921838 360755469 /nfs/dbraw/zinc/75/54/69/360755469.db2.gz MMBJZTCUEHOCFQ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC000628921838 360755472 /nfs/dbraw/zinc/75/54/72/360755472.db2.gz MMBJZTCUEHOCFQ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CCCC1 ZINC000628921837 360755663 /nfs/dbraw/zinc/75/56/63/360755663.db2.gz MMBJZTCUEHOCFQ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CCCC1 ZINC000628921837 360755670 /nfs/dbraw/zinc/75/56/70/360755670.db2.gz MMBJZTCUEHOCFQ-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCCC[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628925373 360757830 /nfs/dbraw/zinc/75/78/30/360757830.db2.gz ZOUDMZLGLXHSJJ-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628925373 360757835 /nfs/dbraw/zinc/75/78/35/360757835.db2.gz ZOUDMZLGLXHSJJ-NWDGAFQWSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628925374 360758518 /nfs/dbraw/zinc/75/85/18/360758518.db2.gz ZOUDMZLGLXHSJJ-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628925374 360758521 /nfs/dbraw/zinc/75/85/21/360758521.db2.gz ZOUDMZLGLXHSJJ-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO C/C=C\CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000629032292 360811467 /nfs/dbraw/zinc/81/14/67/360811467.db2.gz KWEAADDRPSSHOR-ZBJFTSOASA-N 1 2 207.277 1.281 20 0 BDADLO C/C=C\CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000629032292 360811473 /nfs/dbraw/zinc/81/14/73/360811473.db2.gz KWEAADDRPSSHOR-ZBJFTSOASA-N 1 2 207.277 1.281 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)C(C)C)[nH+]1 ZINC000309645228 491153504 /nfs/dbraw/zinc/15/35/04/491153504.db2.gz VTKXLEPCPYRXDJ-MRVPVSSYSA-N 1 2 223.324 1.702 20 0 BDADLO Cc1nc(N[C@H](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000309645228 491153505 /nfs/dbraw/zinc/15/35/05/491153505.db2.gz VTKXLEPCPYRXDJ-MRVPVSSYSA-N 1 2 223.324 1.702 20 0 BDADLO CC(C)(C)CNC(=O)COc1cc[nH+]cc1 ZINC000629362234 361011773 /nfs/dbraw/zinc/01/17/73/361011773.db2.gz RSYQLEOSGXZAJZ-UHFFFAOYSA-N 1 2 222.288 1.623 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CC(C)(C)C1 ZINC000458176143 200821092 /nfs/dbraw/zinc/82/10/92/200821092.db2.gz BPKKFLSAFOXOIX-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1C[C@H](N2C(=O)[C@H](C)N(C)C2=O)c2[nH+]ccn21 ZINC000629475900 361087619 /nfs/dbraw/zinc/08/76/19/361087619.db2.gz SNQCBKIJLVUWET-VGMNWLOBSA-N 1 2 248.286 1.171 20 0 BDADLO C[C@H](F)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000578983521 366685786 /nfs/dbraw/zinc/68/57/86/366685786.db2.gz VQGMUMBXSOKIRM-VIFPVBQESA-N 1 2 226.299 1.404 20 0 BDADLO C[C@H](F)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000578983521 366685792 /nfs/dbraw/zinc/68/57/92/366685792.db2.gz VQGMUMBXSOKIRM-VIFPVBQESA-N 1 2 226.299 1.404 20 0 BDADLO CCCn1ccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000580505082 361177413 /nfs/dbraw/zinc/17/74/13/361177413.db2.gz ZUOZTWLVVJPRPA-UHFFFAOYSA-N 1 2 235.331 1.172 20 0 BDADLO CCCn1ccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000580505082 361177417 /nfs/dbraw/zinc/17/74/17/361177417.db2.gz ZUOZTWLVVJPRPA-UHFFFAOYSA-N 1 2 235.331 1.172 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640475261 361247447 /nfs/dbraw/zinc/24/74/47/361247447.db2.gz FLSHQQBHZQEEMO-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000640475261 361247452 /nfs/dbraw/zinc/24/74/52/361247452.db2.gz FLSHQQBHZQEEMO-NOZJJQNGSA-N 1 2 236.315 1.539 20 0 BDADLO Cc1nocc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000640480656 361263945 /nfs/dbraw/zinc/26/39/45/361263945.db2.gz LRAGSGPAHNBDGN-ZETCQYMHSA-N 1 2 234.259 1.523 20 0 BDADLO Cc1nocc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000640480656 361263946 /nfs/dbraw/zinc/26/39/46/361263946.db2.gz LRAGSGPAHNBDGN-ZETCQYMHSA-N 1 2 234.259 1.523 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]cn1C)n1cccc1 ZINC000579047224 366700526 /nfs/dbraw/zinc/70/05/26/366700526.db2.gz BUEJOXMCZSPYTR-NSHDSACASA-N 1 2 246.314 1.489 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000579128488 366719761 /nfs/dbraw/zinc/71/97/61/366719761.db2.gz MBVGAIDPKQIBEM-GMTAPVOTSA-N 1 2 235.331 1.703 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000579128488 366719764 /nfs/dbraw/zinc/71/97/64/366719764.db2.gz MBVGAIDPKQIBEM-GMTAPVOTSA-N 1 2 235.331 1.703 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCC[C@H](F)C1 ZINC000579025217 366695342 /nfs/dbraw/zinc/69/53/42/366695342.db2.gz ZWSSBPNIVKULPZ-YUMQZZPRSA-N 1 2 240.282 1.760 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCC[C@H](F)C1 ZINC000579025217 366695344 /nfs/dbraw/zinc/69/53/44/366695344.db2.gz ZWSSBPNIVKULPZ-YUMQZZPRSA-N 1 2 240.282 1.760 20 0 BDADLO C[C@H]1CC2(CCC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000579025848 366699044 /nfs/dbraw/zinc/69/90/44/366699044.db2.gz HNLVGMBMVLKGKF-NSHDSACASA-N 1 2 247.342 1.754 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)ncn1 ZINC000428348410 201009919 /nfs/dbraw/zinc/00/99/19/201009919.db2.gz PAOGPTCPWGGWFU-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)ncn1 ZINC000428348410 201009921 /nfs/dbraw/zinc/00/99/21/201009921.db2.gz PAOGPTCPWGGWFU-ZDUSSCGKSA-N 1 2 235.331 1.642 20 0 BDADLO COCCC[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428471720 201023440 /nfs/dbraw/zinc/02/34/40/201023440.db2.gz YPRXYHCPWPUZPL-UHFFFAOYSA-N 1 2 226.324 1.396 20 0 BDADLO COCCC[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000428471720 201023443 /nfs/dbraw/zinc/02/34/43/201023443.db2.gz YPRXYHCPWPUZPL-UHFFFAOYSA-N 1 2 226.324 1.396 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000428956566 201051931 /nfs/dbraw/zinc/05/19/31/201051931.db2.gz OHUIUYVIYXNWQV-SECBINFHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2C[C@@H](O)C(C)(C)C2)[nH]1 ZINC000428956566 201051934 /nfs/dbraw/zinc/05/19/34/201051934.db2.gz OHUIUYVIYXNWQV-SECBINFHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)[C@@](C)(O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614276998 363769218 /nfs/dbraw/zinc/76/92/18/363769218.db2.gz YYJYIKZCECGCDZ-CYBMUJFWSA-N 1 2 247.298 1.680 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](CO)[C@H]2C)[nH]1 ZINC000428966523 201056009 /nfs/dbraw/zinc/05/60/09/201056009.db2.gz KNXZYQRWGYCHHU-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](CO)[C@H]2C)[nH]1 ZINC000428966523 201056011 /nfs/dbraw/zinc/05/60/11/201056011.db2.gz KNXZYQRWGYCHHU-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](COC(F)F)C2)[nH]1 ZINC000428977531 201056460 /nfs/dbraw/zinc/05/64/60/201056460.db2.gz JBNYLGXSNWBNHQ-QMMMGPOBSA-N 1 2 246.261 1.174 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](COC(F)F)C2)[nH]1 ZINC000428977531 201056462 /nfs/dbraw/zinc/05/64/62/201056462.db2.gz JBNYLGXSNWBNHQ-QMMMGPOBSA-N 1 2 246.261 1.174 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)[nH]1 ZINC000428987080 201058786 /nfs/dbraw/zinc/05/87/86/201058786.db2.gz SGMDALUTTMAYEY-MRVPVSSYSA-N 1 2 248.252 1.887 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)[nH]1 ZINC000428987080 201058790 /nfs/dbraw/zinc/05/87/90/201058790.db2.gz SGMDALUTTMAYEY-MRVPVSSYSA-N 1 2 248.252 1.887 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N[C@H](C)CCO)[nH+]1 ZINC000631124345 361392759 /nfs/dbraw/zinc/39/27/59/361392759.db2.gz JWMFNHWNTGLVAU-SECBINFHSA-N 1 2 248.330 1.686 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1c(C)onc1CC ZINC000429178628 201076645 /nfs/dbraw/zinc/07/66/45/201076645.db2.gz UNEKPQRMJHXWSW-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1c(C)onc1CC ZINC000429178628 201076649 /nfs/dbraw/zinc/07/66/49/201076649.db2.gz UNEKPQRMJHXWSW-UHFFFAOYSA-N 1 2 239.319 1.243 20 0 BDADLO CC(C)c1nc(C[N@H+](C)C2(CO)CCC2)no1 ZINC000429233451 201081872 /nfs/dbraw/zinc/08/18/72/201081872.db2.gz DGGVVQDECLFKAK-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)C2(CO)CCC2)no1 ZINC000429233451 201081876 /nfs/dbraw/zinc/08/18/76/201081876.db2.gz DGGVVQDECLFKAK-UHFFFAOYSA-N 1 2 239.319 1.540 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)c2ccccc2F)c1 ZINC000170184734 361397799 /nfs/dbraw/zinc/39/77/99/361397799.db2.gz PUELYEDAEVPDCT-UHFFFAOYSA-N 1 2 247.273 1.532 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H]1c1ncon1 ZINC000579374180 366774473 /nfs/dbraw/zinc/77/44/73/366774473.db2.gz NEWSRYNEHFXILY-SNVBAGLBSA-N 1 2 245.286 1.818 20 0 BDADLO Cc1[nH]c(CNCc2ccoc2)[nH+]c1C ZINC000579377758 366775919 /nfs/dbraw/zinc/77/59/19/366775919.db2.gz YJVIXXQDOOPJPT-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccoc2)[nH]c1C ZINC000579377758 366775924 /nfs/dbraw/zinc/77/59/24/366775924.db2.gz YJVIXXQDOOPJPT-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1nc([C@H](C)[N@H+](C)CC2(O)CCCC2)no1 ZINC000429681347 201125223 /nfs/dbraw/zinc/12/52/23/201125223.db2.gz KFTSWBDCANPPMN-VIFPVBQESA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@H](C)[N@@H+](C)CC2(O)CCCC2)no1 ZINC000429681347 201125225 /nfs/dbraw/zinc/12/52/25/201125225.db2.gz KFTSWBDCANPPMN-VIFPVBQESA-N 1 2 239.319 1.676 20 0 BDADLO C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000579457154 366809902 /nfs/dbraw/zinc/80/99/02/366809902.db2.gz IAXCWMHTAZTIFI-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H](CNC(=O)CC1(C)CC1)Cn1cc[nH+]c1 ZINC000429903530 201135338 /nfs/dbraw/zinc/13/53/38/201135338.db2.gz OVCJDPGMUUQCQX-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)OC[C@H]2C)[nH+]1 ZINC000433773056 201193051 /nfs/dbraw/zinc/19/30/51/201193051.db2.gz GFKSEMPDKGDYPL-RKDXNWHRSA-N 1 2 246.314 1.880 20 0 BDADLO CSCC[N@H+](C)Cc1ncnn1C(C)C ZINC000434479149 201221834 /nfs/dbraw/zinc/22/18/34/201221834.db2.gz JJMRJPCTLKQFRT-UHFFFAOYSA-N 1 2 228.365 1.654 20 0 BDADLO CSCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000434479149 201221838 /nfs/dbraw/zinc/22/18/38/201221838.db2.gz JJMRJPCTLKQFRT-UHFFFAOYSA-N 1 2 228.365 1.654 20 0 BDADLO C[C@H](N[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000083143116 491160040 /nfs/dbraw/zinc/16/00/40/491160040.db2.gz ZDAGONGMNYCWMV-UWVGGRQHSA-N 1 2 225.361 1.888 20 0 BDADLO C[C@H](N[C@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000083143116 491160041 /nfs/dbraw/zinc/16/00/41/491160041.db2.gz ZDAGONGMNYCWMV-UWVGGRQHSA-N 1 2 225.361 1.888 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC(=O)[C@H](C)C2)[nH+]1 ZINC000436322793 201322483 /nfs/dbraw/zinc/32/24/83/201322483.db2.gz DWWLFCAHURWAMB-MRVPVSSYSA-N 1 2 244.298 1.682 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC12CC2 ZINC000629830700 361730166 /nfs/dbraw/zinc/73/01/66/361730166.db2.gz NFFPKWOWWDOVQN-LLVKDONJSA-N 1 2 247.342 1.957 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCCC12CC2 ZINC000629830700 361730173 /nfs/dbraw/zinc/73/01/73/361730173.db2.gz NFFPKWOWWDOVQN-LLVKDONJSA-N 1 2 247.342 1.957 20 0 BDADLO CC1(C)COCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000614432760 363818574 /nfs/dbraw/zinc/81/85/74/363818574.db2.gz WZPVMRXZYQFEOF-SNVBAGLBSA-N 1 2 249.314 1.040 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(OC)n[nH]1 ZINC000623627685 363845192 /nfs/dbraw/zinc/84/51/92/363845192.db2.gz JPOJGPUMXNWAJI-UHFFFAOYSA-N 1 2 221.264 1.247 20 0 BDADLO CC[C@@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000618953116 363915271 /nfs/dbraw/zinc/91/52/71/363915271.db2.gz LVYWFLPHFKSRBI-CYBMUJFWSA-N 1 2 235.331 1.968 20 0 BDADLO Cc1cc(NC(=O)NCC2CSC2)cc[nH+]1 ZINC000630353967 364076062 /nfs/dbraw/zinc/07/60/62/364076062.db2.gz JHSTWSGPOTXDSW-UHFFFAOYSA-N 1 2 237.328 1.296 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccncc1 ZINC000630409007 364141633 /nfs/dbraw/zinc/14/16/33/364141633.db2.gz AUJUCCPYPXNCSQ-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnco1 ZINC000622083881 370699609 /nfs/dbraw/zinc/69/96/09/370699609.db2.gz NUGDGVSRZNQZOX-QMMMGPOBSA-N 1 2 234.259 1.382 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnco1 ZINC000622083880 370700109 /nfs/dbraw/zinc/70/01/09/370700109.db2.gz NUGDGVSRZNQZOX-MRVPVSSYSA-N 1 2 234.259 1.382 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@]12C[C@H]1CCCC2 ZINC000630401889 364131034 /nfs/dbraw/zinc/13/10/34/364131034.db2.gz ALYISWQNLJROIE-DGCLKSJQSA-N 1 2 248.330 1.515 20 0 BDADLO CO[C@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068245057 370763817 /nfs/dbraw/zinc/76/38/17/370763817.db2.gz KMXXCNXYYLMZLP-LLVKDONJSA-N 1 2 248.326 1.153 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC1(F)F ZINC000622196725 370758183 /nfs/dbraw/zinc/75/81/83/370758183.db2.gz PIMCLIYGTWRRRV-MRVPVSSYSA-N 1 2 243.257 1.124 20 0 BDADLO COC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000630591652 364304750 /nfs/dbraw/zinc/30/47/50/364304750.db2.gz QYJIOAIGHNVZHM-UHFFFAOYSA-N 1 2 236.319 1.224 20 0 BDADLO C[C@H](CC(=O)NCC1CC(C)C1)n1cc[nH+]c1 ZINC000622236750 370781608 /nfs/dbraw/zinc/78/16/08/370781608.db2.gz FBXMTESEMKAGAZ-MOENNCHZSA-N 1 2 235.331 1.997 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000615039442 364403914 /nfs/dbraw/zinc/40/39/14/364403914.db2.gz LDYKBYSTFBPOEP-NSHDSACASA-N 1 2 233.315 1.662 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000615157380 364547231 /nfs/dbraw/zinc/54/72/31/364547231.db2.gz CWENIDVEISYHKW-KXUCPTDWSA-N 1 2 237.303 1.402 20 0 BDADLO CCCc1nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)co1 ZINC000615158354 364548965 /nfs/dbraw/zinc/54/89/65/364548965.db2.gz NWDZCQDEOWANRZ-MRVPVSSYSA-N 1 2 248.286 1.841 20 0 BDADLO C[C@@H](NC(=O)Cc1ncccc1F)c1[nH]cc[nH+]1 ZINC000615159331 364551225 /nfs/dbraw/zinc/55/12/25/364551225.db2.gz ZLTRZHFVMDMDAC-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615213193 364634668 /nfs/dbraw/zinc/63/46/68/364634668.db2.gz YYMOLJYLIQGXKM-HBNTYKKESA-N 1 2 233.315 1.535 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615212897 364630270 /nfs/dbraw/zinc/63/02/70/364630270.db2.gz XAERPNBSMRAHIH-ZJUUUORDSA-N 1 2 233.315 1.526 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615212897 364630277 /nfs/dbraw/zinc/63/02/77/364630277.db2.gz XAERPNBSMRAHIH-ZJUUUORDSA-N 1 2 233.315 1.526 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1C[C@H]2C[C@H]2C1 ZINC000493523870 541378102 /nfs/dbraw/zinc/37/81/02/541378102.db2.gz LEZNCZAYLSYTKG-ZVNHLIQMSA-N 1 2 217.272 1.338 20 0 BDADLO C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000573555554 364858964 /nfs/dbraw/zinc/85/89/64/364858964.db2.gz WIINBYYELRYBDQ-GMTAPVOTSA-N 1 2 248.330 1.940 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000573553379 364859271 /nfs/dbraw/zinc/85/92/71/364859271.db2.gz ZLDNKAGGUGMXPW-ZDUSSCGKSA-N 1 2 247.342 1.610 20 0 BDADLO CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000573457439 364839740 /nfs/dbraw/zinc/83/97/40/364839740.db2.gz VHGGQGLJZOTYCP-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000573457439 364839745 /nfs/dbraw/zinc/83/97/45/364839745.db2.gz VHGGQGLJZOTYCP-JTQLQIEISA-N 1 2 235.331 1.989 20 0 BDADLO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccon1 ZINC000148620815 541400582 /nfs/dbraw/zinc/40/05/82/541400582.db2.gz NZATVFHCISMNJK-NSHDSACASA-N 1 2 232.287 1.575 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)Nc1cncc(F)c1 ZINC000336009589 541424754 /nfs/dbraw/zinc/42/47/54/541424754.db2.gz UAEHVCBYHMFEBS-UHFFFAOYSA-N 1 2 249.249 1.276 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC1(C)C ZINC000574013148 364966699 /nfs/dbraw/zinc/96/66/99/364966699.db2.gz JNZJZHMKYWYZRH-UHFFFAOYSA-N 1 2 222.292 1.114 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(CF)CCC1 ZINC000574042512 364967463 /nfs/dbraw/zinc/96/74/63/364967463.db2.gz LLWCMXJFKUEABT-JTQLQIEISA-N 1 2 239.294 1.528 20 0 BDADLO CCC[C@H](C)[C@H](CO)[NH2+]Cc1noc(C)n1 ZINC000574044253 364975878 /nfs/dbraw/zinc/97/58/78/364975878.db2.gz DBFVCCHDEGDXGB-WPRPVWTQSA-N 1 2 227.308 1.265 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C1CC1 ZINC000574164391 364999725 /nfs/dbraw/zinc/99/97/25/364999725.db2.gz HKQQJQFONQMOSH-MRVPVSSYSA-N 1 2 221.304 1.807 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000574455784 365066482 /nfs/dbraw/zinc/06/64/82/365066482.db2.gz IHCGTFSZLCJLAI-TUAOUCFPSA-N 1 2 249.358 1.996 20 0 BDADLO CO[C@H]1CCC[C@@H]1CNc1nc(C)[nH+]cc1C ZINC000574290730 365031384 /nfs/dbraw/zinc/03/13/84/365031384.db2.gz OTJDJYHIVRINPO-NEPJUHHUSA-N 1 2 235.331 1.742 20 0 BDADLO COc1cnc(NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000574582914 365096300 /nfs/dbraw/zinc/09/63/00/365096300.db2.gz BIDODQYSZXKBRO-ZETCQYMHSA-N 1 2 241.316 1.184 20 0 BDADLO COc1cnc(NC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC000574582914 365096303 /nfs/dbraw/zinc/09/63/03/365096303.db2.gz BIDODQYSZXKBRO-ZETCQYMHSA-N 1 2 241.316 1.184 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H](F)C1 ZINC000574761809 365138828 /nfs/dbraw/zinc/13/88/28/365138828.db2.gz NDTGILZTAFBQMJ-JTQLQIEISA-N 1 2 240.282 1.027 20 0 BDADLO c1cc2[nH+]ccc(NC[C@H]3CCOC3)c2cn1 ZINC000444117213 193035081 /nfs/dbraw/zinc/03/50/81/193035081.db2.gz YLHOLLNRURSVBB-SNVBAGLBSA-N 1 2 229.283 1.500 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000444468801 193048518 /nfs/dbraw/zinc/04/85/18/193048518.db2.gz RRFDWFHVUGKYNN-GRYCIOLGSA-N 1 2 247.342 1.750 20 0 BDADLO COC1(C)CN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000575238983 365266341 /nfs/dbraw/zinc/26/63/41/365266341.db2.gz XWQNZKQYAHWLBE-UHFFFAOYSA-N 1 2 244.298 1.267 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncccn2)CCS1 ZINC000192049394 365271935 /nfs/dbraw/zinc/27/19/35/365271935.db2.gz XCYLDJWQGOMRHQ-JTQLQIEISA-N 1 2 223.345 1.804 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncccn2)CCS1 ZINC000192049394 365271937 /nfs/dbraw/zinc/27/19/37/365271937.db2.gz XCYLDJWQGOMRHQ-JTQLQIEISA-N 1 2 223.345 1.804 20 0 BDADLO CCc1cccc(C[NH+]2CC(O)(COC)C2)c1 ZINC000575754236 365353474 /nfs/dbraw/zinc/35/34/74/365353474.db2.gz PISAYDKSOKJGRL-UHFFFAOYSA-N 1 2 235.327 1.442 20 0 BDADLO Cc1cccc(N(C)C(=O)C[NH+]2CC(C)(C)C2)n1 ZINC000575880483 365403910 /nfs/dbraw/zinc/40/39/10/365403910.db2.gz UXBNXILRAQTHSQ-UHFFFAOYSA-N 1 2 247.342 1.695 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000337564253 365405051 /nfs/dbraw/zinc/40/50/51/365405051.db2.gz VFBODFIMVBVASN-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC000575939728 365422476 /nfs/dbraw/zinc/42/24/76/365422476.db2.gz XXHXLSQQMBPAPG-DTWKUNHWSA-N 1 2 205.261 1.246 20 0 BDADLO CC(C)(NC(=O)Cc1ccncc1)c1[nH]cc[nH+]1 ZINC000575995737 365440223 /nfs/dbraw/zinc/44/02/23/365440223.db2.gz VFSFEQNZRVXQCQ-UHFFFAOYSA-N 1 2 244.298 1.399 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ocnc2C)[nH+]1 ZINC000575995527 365440727 /nfs/dbraw/zinc/44/07/27/365440727.db2.gz PEYMAPFUDZUOGE-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]1C1CCC1 ZINC000576030165 365455288 /nfs/dbraw/zinc/45/52/88/365455288.db2.gz PWDQLPMARIWOMW-GXSJLCMTSA-N 1 2 243.314 1.964 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1c(C)nsc1C ZINC000579608252 366905949 /nfs/dbraw/zinc/90/59/49/366905949.db2.gz MUQCLROAKCIKBQ-UHFFFAOYSA-N 1 2 241.360 1.457 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1c(C)nsc1C ZINC000579608252 366905957 /nfs/dbraw/zinc/90/59/57/366905957.db2.gz MUQCLROAKCIKBQ-UHFFFAOYSA-N 1 2 241.360 1.457 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1noc(C)n1 ZINC000182633294 366924763 /nfs/dbraw/zinc/92/47/63/366924763.db2.gz RNDPCNBUUUMZIM-MRVPVSSYSA-N 1 2 241.291 1.152 20 0 BDADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC000182633294 366924764 /nfs/dbraw/zinc/92/47/64/366924764.db2.gz RNDPCNBUUUMZIM-MRVPVSSYSA-N 1 2 241.291 1.152 20 0 BDADLO COC(=O)C1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000579652434 366928868 /nfs/dbraw/zinc/92/88/68/366928868.db2.gz CPHAUUCMFPDKFS-UHFFFAOYSA-N 1 2 249.314 1.483 20 0 BDADLO CC(C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672151704 541492615 /nfs/dbraw/zinc/49/26/15/541492615.db2.gz XQFKXQPBLRYUBY-SNVBAGLBSA-N 1 2 221.304 1.360 20 0 BDADLO CC(=O)N1CC[C@H](C[N@H+](C)CC(F)F)C1 ZINC000179446016 541505066 /nfs/dbraw/zinc/50/50/66/541505066.db2.gz QOUBMDRRXKSJEV-SECBINFHSA-N 1 2 220.263 1.052 20 0 BDADLO CC(=O)N1CC[C@H](C[N@@H+](C)CC(F)F)C1 ZINC000179446016 541505069 /nfs/dbraw/zinc/50/50/69/541505069.db2.gz QOUBMDRRXKSJEV-SECBINFHSA-N 1 2 220.263 1.052 20 0 BDADLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000183033114 366968176 /nfs/dbraw/zinc/96/81/76/366968176.db2.gz ZGOPJCJAXBSTAD-NXEZZACHSA-N 1 2 248.330 1.547 20 0 BDADLO Cc1nnsc1C[N@@H+](C)Cc1cccnc1 ZINC000579718541 366990770 /nfs/dbraw/zinc/99/07/70/366990770.db2.gz JKWFJLFCOFWLJU-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO Cc1nnsc1C[N@H+](C)Cc1cccnc1 ZINC000579718541 366990778 /nfs/dbraw/zinc/99/07/78/366990778.db2.gz JKWFJLFCOFWLJU-UHFFFAOYSA-N 1 2 234.328 1.874 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C ZINC000579728172 366995135 /nfs/dbraw/zinc/99/51/35/366995135.db2.gz DBRZCVRYBPKQOL-QMMMGPOBSA-N 1 2 209.293 1.503 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C ZINC000579728172 366995141 /nfs/dbraw/zinc/99/51/41/366995141.db2.gz DBRZCVRYBPKQOL-QMMMGPOBSA-N 1 2 209.293 1.503 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1CC(F)(F)C1 ZINC000440556463 201490337 /nfs/dbraw/zinc/49/03/37/201490337.db2.gz MAZZOHMICYWGEV-UHFFFAOYSA-N 1 2 229.230 1.082 20 0 BDADLO Cc1ccc(CN2C(=O)C[C@@H](C)C2=O)c(C)[nH+]1 ZINC000185377334 367130747 /nfs/dbraw/zinc/13/07/47/367130747.db2.gz JUMPANHBKYYYGO-MRVPVSSYSA-N 1 2 232.283 1.593 20 0 BDADLO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367616093 367086770 /nfs/dbraw/zinc/08/67/70/367086770.db2.gz NJBHOHHSQRJZCL-ADEWGFFLSA-N 1 2 235.331 1.536 20 0 BDADLO Cc1nc(N[C@H]([C@H](CO)C2CC2)C2CC2)cc[nH+]1 ZINC000580755285 367155405 /nfs/dbraw/zinc/15/54/05/367155405.db2.gz RXYAIRXICZTLPW-OCCSQVGLSA-N 1 2 247.342 1.994 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCc1cccc(O)c1 ZINC000580863206 367190139 /nfs/dbraw/zinc/19/01/39/367190139.db2.gz IVCGVQZPQCCPDM-UHFFFAOYSA-N 1 2 243.310 1.876 20 0 BDADLO CCn1cc[nH+]c1CN(C)[C@@H](C)c1nc(C)no1 ZINC000580960397 367218410 /nfs/dbraw/zinc/21/84/10/367218410.db2.gz MHRIGOCRQWAQCW-VIFPVBQESA-N 1 2 249.318 1.787 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(CC(N)=O)CC1 ZINC000581102981 367262901 /nfs/dbraw/zinc/26/29/01/367262901.db2.gz SXQYZHLHNSUBEX-UHFFFAOYSA-N 1 2 248.330 1.185 20 0 BDADLO CC[N@H+](Cc1ccncc1C)C1COC1 ZINC000581112425 367266001 /nfs/dbraw/zinc/26/60/01/367266001.db2.gz VMAXFRICLOTKMM-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC[N@@H+](Cc1ccncc1C)C1COC1 ZINC000581112425 367266003 /nfs/dbraw/zinc/26/60/03/367266003.db2.gz VMAXFRICLOTKMM-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1nnsc1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000581136345 367273522 /nfs/dbraw/zinc/27/35/22/367273522.db2.gz XTLJXVFQYDYOPL-VIFPVBQESA-N 1 2 245.323 1.407 20 0 BDADLO Cc1nnsc1C[N@H+]1CCCO[C@@H](CF)C1 ZINC000581136345 367273527 /nfs/dbraw/zinc/27/35/27/367273527.db2.gz XTLJXVFQYDYOPL-VIFPVBQESA-N 1 2 245.323 1.407 20 0 BDADLO CC/C=C\CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581379043 367411949 /nfs/dbraw/zinc/41/19/49/367411949.db2.gz AYIJGIMJIPLTCK-UMCURTJPSA-N 1 2 221.304 1.671 20 0 BDADLO CC/C=C\CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581379043 367411956 /nfs/dbraw/zinc/41/19/56/367411956.db2.gz AYIJGIMJIPLTCK-UMCURTJPSA-N 1 2 221.304 1.671 20 0 BDADLO COC(=O)[C@H]([NH2+]CCCO)C1CCCCC1 ZINC000381492813 367418957 /nfs/dbraw/zinc/41/89/57/367418957.db2.gz YTNSTLDTFKOOHT-LLVKDONJSA-N 1 2 229.320 1.080 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(c2ncccn2)CC1 ZINC000440707605 201507771 /nfs/dbraw/zinc/50/77/71/201507771.db2.gz VKYKCIDGXIBLQF-NSHDSACASA-N 1 2 238.310 1.347 20 0 BDADLO Cn1nnc(C[NH2+]C(C)(C)c2cccs2)n1 ZINC000381624486 367440281 /nfs/dbraw/zinc/44/02/81/367440281.db2.gz HTUIYHNQNSIOGL-UHFFFAOYSA-N 1 2 237.332 1.297 20 0 BDADLO CC(C)c1nc(C[N@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000382776761 367556002 /nfs/dbraw/zinc/55/60/02/367556002.db2.gz BXDBZLJWGTWPKV-SECBINFHSA-N 1 2 241.335 1.784 20 0 BDADLO CC(C)c1nc(C[N@@H+](C)[C@H](C)C(C)(C)O)no1 ZINC000382776761 367556004 /nfs/dbraw/zinc/55/60/04/367556004.db2.gz BXDBZLJWGTWPKV-SECBINFHSA-N 1 2 241.335 1.784 20 0 BDADLO COC[C@H](C)C[N@@H+]1CCOCC(F)(F)C1 ZINC000581635306 367644589 /nfs/dbraw/zinc/64/45/89/367644589.db2.gz ZRMZKYFJXHZAMB-SECBINFHSA-N 1 2 223.263 1.236 20 0 BDADLO COC[C@H](C)C[N@H+]1CCOCC(F)(F)C1 ZINC000581635306 367644594 /nfs/dbraw/zinc/64/45/94/367644594.db2.gz ZRMZKYFJXHZAMB-SECBINFHSA-N 1 2 223.263 1.236 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC1CC(F)(F)C1 ZINC000622353233 370863355 /nfs/dbraw/zinc/86/33/55/370863355.db2.gz FOSQWIOEBZTAFB-UHFFFAOYSA-N 1 2 243.257 1.472 20 0 BDADLO O=C(CC1CC(F)(F)C1)NCCc1[nH]cc[nH+]1 ZINC000622363936 370869733 /nfs/dbraw/zinc/86/97/33/370869733.db2.gz DUVRHCVPAAXZCE-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NC1CCC1 ZINC000385231527 367812374 /nfs/dbraw/zinc/81/23/74/367812374.db2.gz SRTCXJYAUWUWAH-UHFFFAOYSA-N 1 2 222.292 1.255 20 0 BDADLO O=C(CC1CC(F)(F)C1)NCc1c[nH+]c[nH]1 ZINC000622384905 370881825 /nfs/dbraw/zinc/88/18/25/370881825.db2.gz WWSJOYXLSIGTRB-UHFFFAOYSA-N 1 2 229.230 1.461 20 0 BDADLO O=C(CC1CC(F)(F)C1)NCc1c[nH]c[nH+]1 ZINC000622384905 370881830 /nfs/dbraw/zinc/88/18/30/370881830.db2.gz WWSJOYXLSIGTRB-UHFFFAOYSA-N 1 2 229.230 1.461 20 0 BDADLO CCn1cc[nH+]c1CNc1nccnc1C ZINC000385389920 367824760 /nfs/dbraw/zinc/82/47/60/367824760.db2.gz URBRPLYOLPDOSU-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO CCCc1nc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000385634470 367849590 /nfs/dbraw/zinc/84/95/90/367849590.db2.gz JARVBESVLXVAAL-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)no1 ZINC000385634470 367849598 /nfs/dbraw/zinc/84/95/98/367849598.db2.gz JARVBESVLXVAAL-UWVGGRQHSA-N 1 2 239.319 1.225 20 0 BDADLO C[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000075682020 367942322 /nfs/dbraw/zinc/94/23/22/367942322.db2.gz YHPXSISNSQLVBT-QWRGUYRKSA-N 1 2 221.304 1.578 20 0 BDADLO CCc1nc(C)c(C[NH2+][C@H]2CCn3ccnc32)o1 ZINC000386270974 367943364 /nfs/dbraw/zinc/94/33/64/367943364.db2.gz XGDVYAOAJIVVOL-JTQLQIEISA-N 1 2 246.314 1.977 20 0 BDADLO C[C@@H](CC(=O)NC1(C)CCC1)n1cc[nH+]c1 ZINC000566333023 326034296 /nfs/dbraw/zinc/03/42/96/326034296.db2.gz YPNABWLRFHVAIQ-JTQLQIEISA-N 1 2 221.304 1.893 20 0 BDADLO CC(=O)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000615517667 368087079 /nfs/dbraw/zinc/08/70/79/368087079.db2.gz LVGRTEGUIMCNBA-GFCCVEGCSA-N 1 2 249.314 1.231 20 0 BDADLO CN(C)c1c[nH+]cc(NCc2cc[nH]n2)c1 ZINC000630957366 368155071 /nfs/dbraw/zinc/15/50/71/368155071.db2.gz RTWBLYJULYOZPV-UHFFFAOYSA-N 1 2 217.276 1.483 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1nc2c(s1)CCC2 ZINC000032922036 368261660 /nfs/dbraw/zinc/26/16/60/368261660.db2.gz HAZZTLYQEONIQD-UHFFFAOYSA-N 1 2 248.311 1.467 20 0 BDADLO Cc1cccc(C(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000043646881 368404604 /nfs/dbraw/zinc/40/46/04/368404604.db2.gz OTVXLCHUUFPDFC-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615830807 368477431 /nfs/dbraw/zinc/47/74/31/368477431.db2.gz BAXSYZMDXSJYIW-VWYCJHECSA-N 1 2 247.342 1.677 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615830807 368477435 /nfs/dbraw/zinc/47/74/35/368477435.db2.gz BAXSYZMDXSJYIW-VWYCJHECSA-N 1 2 247.342 1.677 20 0 BDADLO CCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047609190 368464777 /nfs/dbraw/zinc/46/47/77/368464777.db2.gz IVRBQRBRTFVCLS-GFCCVEGCSA-N 1 2 247.342 1.824 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000061745612 368568503 /nfs/dbraw/zinc/56/85/03/368568503.db2.gz OZSOCHJXITXBNX-UHFFFAOYSA-N 1 2 227.329 1.163 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000061745612 368568506 /nfs/dbraw/zinc/56/85/06/368568506.db2.gz OZSOCHJXITXBNX-UHFFFAOYSA-N 1 2 227.329 1.163 20 0 BDADLO CSCCC(=O)NCCNc1cccc[nH+]1 ZINC000063705623 368592975 /nfs/dbraw/zinc/59/29/75/368592975.db2.gz NXFUEHIRFHAGHA-UHFFFAOYSA-N 1 2 239.344 1.363 20 0 BDADLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000064796353 368614520 /nfs/dbraw/zinc/61/45/20/368614520.db2.gz JCUATGFCOTWPEZ-VHSXEESVSA-N 1 2 225.336 1.381 20 0 BDADLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000064796353 368614526 /nfs/dbraw/zinc/61/45/26/368614526.db2.gz JCUATGFCOTWPEZ-VHSXEESVSA-N 1 2 225.336 1.381 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1nc(C)[nH+]cc1C ZINC000567124118 326120791 /nfs/dbraw/zinc/12/07/91/326120791.db2.gz ZJTHXIPBAWNSHZ-VHSXEESVSA-N 1 2 207.277 1.683 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000072588927 368775222 /nfs/dbraw/zinc/77/52/22/368775222.db2.gz NDUBBVPJZFQXOT-STQMWFEESA-N 1 2 249.310 1.357 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000072588927 368775227 /nfs/dbraw/zinc/77/52/27/368775227.db2.gz NDUBBVPJZFQXOT-STQMWFEESA-N 1 2 249.310 1.357 20 0 BDADLO CC[C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC000073552221 368809063 /nfs/dbraw/zinc/80/90/63/368809063.db2.gz WTTXESWURCZHDN-SNVBAGLBSA-N 1 2 209.293 1.388 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCCC1 ZINC000073604285 368811141 /nfs/dbraw/zinc/81/11/41/368811141.db2.gz BEZPLPJDIPVCLA-UHFFFAOYSA-N 1 2 207.277 1.286 20 0 BDADLO CC[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000073922414 368821801 /nfs/dbraw/zinc/82/18/01/368821801.db2.gz DDKYGSTXEGLSDG-RYUDHWBXSA-N 1 2 235.331 1.968 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(N)=O)c1ccc(F)cc1 ZINC000074017621 368825021 /nfs/dbraw/zinc/82/50/21/368825021.db2.gz HMRQCOYQWIZTLX-SNVBAGLBSA-N 1 2 248.261 1.317 20 0 BDADLO Cc1ccnc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000072627949 368777145 /nfs/dbraw/zinc/77/71/45/368777145.db2.gz QMAXDLPRVMBBGV-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000615963945 368798995 /nfs/dbraw/zinc/79/89/95/368798995.db2.gz UHLLVMNDNIDEQH-KATARQTJSA-N 1 2 219.288 1.661 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)O)C1CCCCC1 ZINC000309526583 326157379 /nfs/dbraw/zinc/15/73/79/326157379.db2.gz BIUPIKJBWPRCNG-GXSJLCMTSA-N 1 2 229.320 1.079 20 0 BDADLO OC1C[NH+](Cc2ccnc3ccccc23)C1 ZINC000086114175 368874796 /nfs/dbraw/zinc/87/47/96/368874796.db2.gz AZQWICZBALIZNZ-UHFFFAOYSA-N 1 2 214.268 1.411 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H](CO)CCC(C)C ZINC000623646362 368969126 /nfs/dbraw/zinc/96/91/26/368969126.db2.gz DHJRMUHWSXDLMM-GFCCVEGCSA-N 1 2 225.336 1.605 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C1(C)CC1 ZINC000154747835 326162633 /nfs/dbraw/zinc/16/26/33/326162633.db2.gz YJRURWICVNOMMN-UHFFFAOYSA-N 1 2 221.304 1.532 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccn(CC)c1 ZINC000616141603 368979981 /nfs/dbraw/zinc/97/99/81/368979981.db2.gz BFJFHKADSPNTIE-LBPRGKRZSA-N 1 2 238.331 1.891 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccn(CC)c1 ZINC000616141603 368979987 /nfs/dbraw/zinc/97/99/87/368979987.db2.gz BFJFHKADSPNTIE-LBPRGKRZSA-N 1 2 238.331 1.891 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H](O)C2CC2)c[nH+]1 ZINC000616114751 368960263 /nfs/dbraw/zinc/96/02/63/368960263.db2.gz CYWNDDHPSUUBHG-GFCCVEGCSA-N 1 2 234.299 1.086 20 0 BDADLO C[C@H]1CCC(C)(C)N1C(=O)C[NH+]1CCOCC1 ZINC000616165541 369000822 /nfs/dbraw/zinc/00/08/22/369000822.db2.gz RZEGZLYWPPAKOX-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CCOC(=O)CCC[N@H+](C)Cc1ncc[nH]1 ZINC000616176519 369008159 /nfs/dbraw/zinc/00/81/59/369008159.db2.gz RUUKXKJINPNWCJ-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO CCOC(=O)CCC[N@@H+](C)Cc1ncc[nH]1 ZINC000616176519 369008162 /nfs/dbraw/zinc/00/81/62/369008162.db2.gz RUUKXKJINPNWCJ-UHFFFAOYSA-N 1 2 225.292 1.185 20 0 BDADLO COCC1(C(=O)Nc2cc[nH+]c(C)c2)CCCC1 ZINC000457568499 203076153 /nfs/dbraw/zinc/07/61/53/203076153.db2.gz PKYWEFUBAVSTCN-UHFFFAOYSA-N 1 2 248.326 1.957 20 0 BDADLO CCCC1(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000457861621 203113505 /nfs/dbraw/zinc/11/35/05/203113505.db2.gz PYPCSZPFTOYDBJ-UHFFFAOYSA-N 1 2 235.331 1.659 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457845972 203111251 /nfs/dbraw/zinc/11/12/51/203111251.db2.gz BFEWPCYFTYCSFY-QWRGUYRKSA-N 1 2 235.331 1.515 20 0 BDADLO CC(C)[C@@]1(C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000458128630 203136740 /nfs/dbraw/zinc/13/67/40/203136740.db2.gz MUOXDNNAZWONMM-TZMCWYRMSA-N 1 2 249.358 1.904 20 0 BDADLO CC(C)=CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458689908 203187755 /nfs/dbraw/zinc/18/77/55/203187755.db2.gz KTDNLKBOWCJKBM-UHFFFAOYSA-N 1 2 236.319 1.228 20 0 BDADLO Cc1cccn2c(NC(=O)C(C)(C)O)c[nH+]c12 ZINC000619014195 369257506 /nfs/dbraw/zinc/25/75/06/369257506.db2.gz GQNNSDZUHHGHKO-UHFFFAOYSA-N 1 2 233.271 1.352 20 0 BDADLO Cc1cccn2c(NC(=O)C3(C)COC3)c[nH+]c12 ZINC000619014198 369257558 /nfs/dbraw/zinc/25/75/58/369257558.db2.gz GUZDBWZMCRTFCJ-UHFFFAOYSA-N 1 2 245.282 1.618 20 0 BDADLO CCn1ccc(C(=O)NCc2[nH+]ccn2CC)n1 ZINC000521628080 259538170 /nfs/dbraw/zinc/53/81/70/259538170.db2.gz CWKBUTULRNPLSI-UHFFFAOYSA-N 1 2 247.302 1.049 20 0 BDADLO CCn1nncc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000459304881 203252430 /nfs/dbraw/zinc/25/24/30/203252430.db2.gz OHXFPZHBOCKAAF-NWDGAFQWSA-N 1 2 236.319 1.051 20 0 BDADLO CCn1nncc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000459304881 203252433 /nfs/dbraw/zinc/25/24/33/203252433.db2.gz OHXFPZHBOCKAAF-NWDGAFQWSA-N 1 2 236.319 1.051 20 0 BDADLO CCCCCOC1C[NH+](Cc2cnn(C)c2)C1 ZINC000459594774 203309753 /nfs/dbraw/zinc/30/97/53/203309753.db2.gz QAZASCNIQSSHQK-UHFFFAOYSA-N 1 2 237.347 1.811 20 0 BDADLO CCn1nccc1C[NH+]1CC(C)(OC)C1 ZINC000459589875 203310704 /nfs/dbraw/zinc/31/07/04/203310704.db2.gz ROMWLRGKECMJBI-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CCOC1CN(Cc2c[nH+]c3c(C)cccn23)C1 ZINC000459609480 203314043 /nfs/dbraw/zinc/31/40/43/203314043.db2.gz QNQRKILSBGRLQK-UHFFFAOYSA-N 1 2 245.326 1.863 20 0 BDADLO CC/C=C/CC[NH2+][C@@](CC)(COC)C(=O)OC ZINC000459565048 203305002 /nfs/dbraw/zinc/30/50/02/203305002.db2.gz XOASRVGTEPZBKD-GWJCSSMESA-N 1 2 243.347 1.901 20 0 BDADLO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000459611536 203316141 /nfs/dbraw/zinc/31/61/41/203316141.db2.gz LMVZDGOSHIPTHU-LDYMZIIASA-N 1 2 224.308 1.569 20 0 BDADLO COCc1ccc(C[NH+]2CC(C)(CO)C2)o1 ZINC000459619438 203319081 /nfs/dbraw/zinc/31/90/81/203319081.db2.gz IIWXXLNPPBUEPI-UHFFFAOYSA-N 1 2 225.288 1.240 20 0 BDADLO CC1(CO)C[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000459624079 203322684 /nfs/dbraw/zinc/32/26/84/203322684.db2.gz UAZZTZQTEYKSDK-UHFFFAOYSA-N 1 2 249.358 1.812 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)OC)[C@H](CC)CO1 ZINC000404113571 369419839 /nfs/dbraw/zinc/41/98/39/369419839.db2.gz WNNFKFDEBPLWRR-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)OC)[C@H](CC)CO1 ZINC000404113571 369419840 /nfs/dbraw/zinc/41/98/40/369419840.db2.gz WNNFKFDEBPLWRR-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000060485562 369484841 /nfs/dbraw/zinc/48/48/41/369484841.db2.gz KWMQZZATSKBCNZ-UHFFFAOYSA-N 1 2 243.347 1.829 20 0 BDADLO CCOC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000060485162 369488050 /nfs/dbraw/zinc/48/80/50/369488050.db2.gz VDXOJUPDZUNRFR-UHFFFAOYSA-N 1 2 225.292 1.379 20 0 BDADLO OCCOCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459773942 203364228 /nfs/dbraw/zinc/36/42/28/203364228.db2.gz VMTVQJFNRCKDAD-UHFFFAOYSA-N 1 2 241.718 1.665 20 0 BDADLO OCCOCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459773942 203364230 /nfs/dbraw/zinc/36/42/30/203364230.db2.gz VMTVQJFNRCKDAD-UHFFFAOYSA-N 1 2 241.718 1.665 20 0 BDADLO CCCCc1cc(NCCCOC)nc[nH+]1 ZINC000631031633 370966632 /nfs/dbraw/zinc/96/66/32/370966632.db2.gz FJKCWPPLNDQHJR-UHFFFAOYSA-N 1 2 223.320 1.690 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1cccc2cnccc21 ZINC000061125254 369605239 /nfs/dbraw/zinc/60/52/39/369605239.db2.gz ZXIDZCBDQCBUFP-JTQLQIEISA-N 1 2 244.294 1.886 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620075077 369708767 /nfs/dbraw/zinc/70/87/67/369708767.db2.gz PCZJYAMQKCKNFO-XPTSAGLGSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620075077 369708769 /nfs/dbraw/zinc/70/87/69/369708769.db2.gz PCZJYAMQKCKNFO-XPTSAGLGSA-N 1 2 247.342 1.819 20 0 BDADLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000620427709 369872310 /nfs/dbraw/zinc/87/23/10/369872310.db2.gz FRQPVBARXABREY-YOGCLGLASA-N 1 2 233.315 1.673 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CCOC2(C)C)c[nH+]1 ZINC000620510721 369902076 /nfs/dbraw/zinc/90/20/76/369902076.db2.gz PBZZYIUDJQOMSC-VIFPVBQESA-N 1 2 237.303 1.263 20 0 BDADLO C[C@@H](NC(=O)c1cc[nH]c1)c1[nH+]ccn1C ZINC000620599923 369948827 /nfs/dbraw/zinc/94/88/27/369948827.db2.gz JVXDCRPIRYPPAB-MRVPVSSYSA-N 1 2 218.260 1.239 20 0 BDADLO CO[C@H](C(=O)N[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000620603020 369950641 /nfs/dbraw/zinc/95/06/41/369950641.db2.gz DRTHOYAGTRICFE-ZJUUUORDSA-N 1 2 239.319 1.268 20 0 BDADLO Cc1[nH]nc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1C ZINC000620600857 369950711 /nfs/dbraw/zinc/95/07/11/369950711.db2.gz QYUNCAQWCYHHHE-SECBINFHSA-N 1 2 247.302 1.251 20 0 BDADLO CCC[C@H](O)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605094 369952850 /nfs/dbraw/zinc/95/28/50/369952850.db2.gz YXCSJMNWSSOUDW-UWVGGRQHSA-N 1 2 239.319 1.148 20 0 BDADLO Cc1c(C(=O)N[C@@H](C)c2[nH+]ccn2C)ccn1C ZINC000620605877 369954167 /nfs/dbraw/zinc/95/41/67/369954167.db2.gz LWRMNPPEDOCSOQ-VIFPVBQESA-N 1 2 246.314 1.558 20 0 BDADLO Cc1cc(CC(=O)N[C@H](C)c2[nH+]ccn2C)on1 ZINC000620607501 369955508 /nfs/dbraw/zinc/95/55/08/369955508.db2.gz GROBFUWEUHZRKA-SECBINFHSA-N 1 2 248.286 1.136 20 0 BDADLO C[C@H](NC(=O)[C@H](C)C(C)(F)F)c1[nH+]ccn1C ZINC000620609532 369956616 /nfs/dbraw/zinc/95/66/16/369956616.db2.gz SEFINOZJGNYOLZ-YUMQZZPRSA-N 1 2 245.273 1.889 20 0 BDADLO CCC(=O)C1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000620611049 369957169 /nfs/dbraw/zinc/95/71/69/369957169.db2.gz XVFWANRJJWEQMH-SECBINFHSA-N 1 2 249.314 1.357 20 0 BDADLO Cc1cn2ccc(NC(=O)C3CC(=O)C3)cc2[nH+]1 ZINC000620650046 369972505 /nfs/dbraw/zinc/97/25/05/369972505.db2.gz KKMVQGKNBLYKMQ-UHFFFAOYSA-N 1 2 243.266 1.560 20 0 BDADLO C[C@@H](NC(=O)CC(F)(F)F)c1[nH+]ccn1C ZINC000620596136 369946828 /nfs/dbraw/zinc/94/68/28/369946828.db2.gz OGOXOFHSILEZFR-ZCFIWIBFSA-N 1 2 235.209 1.550 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594790 369947544 /nfs/dbraw/zinc/94/75/44/369947544.db2.gz FGUGAQYOBHMGCM-OPRDCNLKSA-N 1 2 237.303 1.022 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)CCc1c[nH+]cn1C ZINC000621045319 370079858 /nfs/dbraw/zinc/07/98/58/370079858.db2.gz XBIHSBPLYNCJTM-LLVKDONJSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000076176460 370230607 /nfs/dbraw/zinc/23/06/07/370230607.db2.gz IWRIQGZGOFCLOI-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cn2ccccc2n1 ZINC000076176460 370230613 /nfs/dbraw/zinc/23/06/13/370230613.db2.gz IWRIQGZGOFCLOI-NEPJUHHUSA-N 1 2 245.326 1.944 20 0 BDADLO CCOc1cncc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000621334718 370268138 /nfs/dbraw/zinc/26/81/38/370268138.db2.gz PEMSWZSKDCZIDD-UHFFFAOYSA-N 1 2 232.287 1.493 20 0 BDADLO Nc1[nH+]cnc(NCC[C@H]2CC2(F)F)c1Cl ZINC000621345266 370278773 /nfs/dbraw/zinc/27/87/73/370278773.db2.gz HEKKRIHIYWQOAX-YFKPBYRVSA-N 1 2 248.664 1.591 20 0 BDADLO Nc1nc[nH+]c(NCC[C@H]2CC2(F)F)c1Cl ZINC000621345266 370278780 /nfs/dbraw/zinc/27/87/80/370278780.db2.gz HEKKRIHIYWQOAX-YFKPBYRVSA-N 1 2 248.664 1.591 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC1(C)COC1)C(C)(C)C ZINC000309983331 370286474 /nfs/dbraw/zinc/28/64/74/370286474.db2.gz XFYKTFKJGOTLJU-SECBINFHSA-N 1 2 229.320 1.200 20 0 BDADLO C[C@H](CN1CCCCC1)[NH2+]Cc1ccn(C)n1 ZINC000112340755 370286498 /nfs/dbraw/zinc/28/64/98/370286498.db2.gz YGWUTUFWMCYHDN-GFCCVEGCSA-N 1 2 236.363 1.384 20 0 BDADLO CC1CC(CNc2[nH+]cnc3c2OCCN3)C1 ZINC000621354725 370289728 /nfs/dbraw/zinc/28/97/28/370289728.db2.gz SQXADCWIFRDCGB-UHFFFAOYSA-N 1 2 234.303 1.161 20 0 BDADLO CC1CC(CNc2nc[nH+]c3c2OCCN3)C1 ZINC000621354725 370289731 /nfs/dbraw/zinc/28/97/31/370289731.db2.gz SQXADCWIFRDCGB-UHFFFAOYSA-N 1 2 234.303 1.161 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000076848427 370360774 /nfs/dbraw/zinc/36/07/74/370360774.db2.gz BYYVBQWWOVMGKT-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000076848427 370360780 /nfs/dbraw/zinc/36/07/80/370360780.db2.gz BYYVBQWWOVMGKT-UHFFFAOYSA-N 1 2 248.326 1.407 20 0 BDADLO C[C@@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(N)=O ZINC000621401554 370338370 /nfs/dbraw/zinc/33/83/70/370338370.db2.gz CNDHZZIEVWDQFM-APPZFPTMSA-N 1 2 234.290 1.664 20 0 BDADLO C[C@@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(N)=O ZINC000621401557 370339036 /nfs/dbraw/zinc/33/90/36/370339036.db2.gz CNDHZZIEVWDQFM-VXNVDRBHSA-N 1 2 234.290 1.664 20 0 BDADLO CCNC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621406251 370341437 /nfs/dbraw/zinc/34/14/37/370341437.db2.gz QNYKJRUNQYLZJV-NSHDSACASA-N 1 2 248.317 1.926 20 0 BDADLO O=C1NCC[C@H]1[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621404234 370341996 /nfs/dbraw/zinc/34/19/96/370341996.db2.gz MPHRVHUOHLBVBA-NXEZZACHSA-N 1 2 246.301 1.679 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nccnc1C ZINC000621709746 370454919 /nfs/dbraw/zinc/45/49/19/370454919.db2.gz CLMTWKQKZPKLLR-JQWIXIFHSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nccnc1C ZINC000621709746 370454921 /nfs/dbraw/zinc/45/49/21/370454921.db2.gz CLMTWKQKZPKLLR-JQWIXIFHSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccnc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000621710254 370455487 /nfs/dbraw/zinc/45/54/87/370455487.db2.gz YYRSARGAPTVYSG-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO Cc1nccnc1C[N@H+](C)Cc1cnn(C)c1 ZINC000621710254 370455491 /nfs/dbraw/zinc/45/54/91/370455491.db2.gz YYRSARGAPTVYSG-UHFFFAOYSA-N 1 2 231.303 1.151 20 0 BDADLO CCOc1cncc(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000621716604 370464536 /nfs/dbraw/zinc/46/45/36/370464536.db2.gz GQMMXOBSBOMAPI-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO CCOc1cncc(C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000621716604 370464542 /nfs/dbraw/zinc/46/45/42/370464542.db2.gz GQMMXOBSBOMAPI-UHFFFAOYSA-N 1 2 246.314 1.835 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000621732384 370487824 /nfs/dbraw/zinc/48/78/24/370487824.db2.gz YWKVHKDMOVGJEB-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000621732384 370487825 /nfs/dbraw/zinc/48/78/25/370487825.db2.gz YWKVHKDMOVGJEB-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CO[C@H](C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621826731 370551406 /nfs/dbraw/zinc/55/14/06/370551406.db2.gz WWUGCHJMKWKBPR-SECBINFHSA-N 1 2 239.319 1.229 20 0 BDADLO CCc1cc(N(C)CC[C@@H](C)O)nc[nH+]1 ZINC000078418087 370558690 /nfs/dbraw/zinc/55/86/90/370558690.db2.gz GKDUXUWUKWDDQH-SECBINFHSA-N 1 2 209.293 1.246 20 0 BDADLO CN(Cc1cc[nH]n1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621866198 370571669 /nfs/dbraw/zinc/57/16/69/370571669.db2.gz MPICPGWTFJFQKA-UHFFFAOYSA-N 1 2 247.302 1.069 20 0 BDADLO CC(C)(C(=O)N1CC(C)(C)C1)c1c[nH+]c[nH]1 ZINC000621980230 370639613 /nfs/dbraw/zinc/63/96/13/370639613.db2.gz NMSAUVCXSQUVJA-UHFFFAOYSA-N 1 2 221.304 1.556 20 0 BDADLO Cc1cc(C)c(CNC(=O)C2CCOCC2)c[nH+]1 ZINC000622667954 371047386 /nfs/dbraw/zinc/04/73/86/371047386.db2.gz ZWMYBIMGGXEIKN-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO CC(F)(F)CCNC(=O)CCn1cc[nH+]c1 ZINC000622624589 371021676 /nfs/dbraw/zinc/02/16/76/371021676.db2.gz QRCILMQKGUWYBQ-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCCC(C)(F)F ZINC000622624699 371021858 /nfs/dbraw/zinc/02/18/58/371021858.db2.gz VIGQCSYGQHQNFB-UHFFFAOYSA-N 1 2 231.246 1.124 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)C12CC(C1)C2 ZINC000627511943 371099470 /nfs/dbraw/zinc/09/94/70/371099470.db2.gz UPGSUKNJHMZNMM-UHFFFAOYSA-N 1 2 232.283 1.507 20 0 BDADLO CCCCc1cc(N2CCC(=O)CC2)nc[nH+]1 ZINC000631053041 371128075 /nfs/dbraw/zinc/12/80/75/371128075.db2.gz JOOQNRDOHLQUBX-UHFFFAOYSA-N 1 2 233.315 1.989 20 0 BDADLO CCCCc1cc(NCc2ccnn2C)nc[nH+]1 ZINC000631055453 371158923 /nfs/dbraw/zinc/15/89/23/371158923.db2.gz TVCFFRJPIAPALA-UHFFFAOYSA-N 1 2 245.330 1.587 20 0 BDADLO CCN(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623931770 371160562 /nfs/dbraw/zinc/16/05/62/371160562.db2.gz IYVWZPHKWBFVMH-SNVBAGLBSA-N 1 2 221.304 1.232 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCC2(C(F)F)CC2)C1 ZINC000569137281 326392695 /nfs/dbraw/zinc/39/26/95/326392695.db2.gz GDQLQLIQUJTGDD-UHFFFAOYSA-N 1 2 246.301 1.490 20 0 BDADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cn(C)nn2)o1 ZINC000389815094 371175406 /nfs/dbraw/zinc/17/54/06/371175406.db2.gz NQBFTTTYMKZTTP-BXKDBHETSA-N 1 2 246.314 1.821 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cn(C)nn2)o1 ZINC000389815096 371176440 /nfs/dbraw/zinc/17/64/40/371176440.db2.gz NQBFTTTYMKZTTP-JOYOIKCWSA-N 1 2 246.314 1.821 20 0 BDADLO COc1ccc[nH+]c1NC[C@]1(O)CCSC1 ZINC000624016855 371251259 /nfs/dbraw/zinc/25/12/59/371251259.db2.gz ILMJVVSXIOPNFD-LLVKDONJSA-N 1 2 240.328 1.370 20 0 BDADLO CCCCNC(=O)N1CCn2cc[nH+]c2C1 ZINC000125299546 371316984 /nfs/dbraw/zinc/31/69/84/371316984.db2.gz HKJJVHNWOCSQHI-UHFFFAOYSA-N 1 2 222.292 1.208 20 0 BDADLO CC[C@@]1(O)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000572975217 326422102 /nfs/dbraw/zinc/42/21/02/326422102.db2.gz OYKJADYBKUVOIU-GFCCVEGCSA-N 1 2 221.304 1.445 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627368838 371585613 /nfs/dbraw/zinc/58/56/13/371585613.db2.gz DMMMPJRXPCRVCF-QMMMGPOBSA-N 1 2 219.288 1.341 20 0 BDADLO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627368838 371585617 /nfs/dbraw/zinc/58/56/17/371585617.db2.gz DMMMPJRXPCRVCF-QMMMGPOBSA-N 1 2 219.288 1.341 20 0 BDADLO CC(C)(C(=O)N1CCc2[nH]c[nH+]c2C1)C(F)F ZINC000627371355 371590161 /nfs/dbraw/zinc/59/01/61/371590161.db2.gz BXCGTIUTFJARJJ-UHFFFAOYSA-N 1 2 243.257 1.586 20 0 BDADLO CC(C)(C(=O)N1CCc2[nH+]c[nH]c2C1)C(F)F ZINC000627371355 371590166 /nfs/dbraw/zinc/59/01/66/371590166.db2.gz BXCGTIUTFJARJJ-UHFFFAOYSA-N 1 2 243.257 1.586 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1(F)F ZINC000627373501 371590956 /nfs/dbraw/zinc/59/09/56/371590956.db2.gz TWGXLGRUKMOOQI-SNVBAGLBSA-N 1 2 241.241 1.340 20 0 BDADLO C[C@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1(F)F ZINC000627373501 371590959 /nfs/dbraw/zinc/59/09/59/371590959.db2.gz TWGXLGRUKMOOQI-SNVBAGLBSA-N 1 2 241.241 1.340 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627374354 371592877 /nfs/dbraw/zinc/59/28/77/371592877.db2.gz RMYMVTIKKCVZGF-SECBINFHSA-N 1 2 233.315 1.731 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627374354 371592882 /nfs/dbraw/zinc/59/28/82/371592882.db2.gz RMYMVTIKKCVZGF-SECBINFHSA-N 1 2 233.315 1.731 20 0 BDADLO COc1ccc[nH+]c1N[C@H](C)[C@H](C)CO ZINC000167222689 326439489 /nfs/dbraw/zinc/43/94/89/326439489.db2.gz IOKBVOYAWXGJGQ-RKDXNWHRSA-N 1 2 210.277 1.519 20 0 BDADLO CCCCc1cc(N[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000631196639 372229040 /nfs/dbraw/zinc/22/90/40/372229040.db2.gz UUKMRZPEMVTUDB-SNVBAGLBSA-N 1 2 234.303 1.120 20 0 BDADLO Cc1nc(N(C)C[C@H]2CC=CCC2)nc(N)[nH+]1 ZINC000631203870 372233995 /nfs/dbraw/zinc/23/39/95/372233995.db2.gz GMGKVRNMXJCTKX-JTQLQIEISA-N 1 2 233.319 1.385 20 0 BDADLO Cc1nc(N)nc(N(C)C[C@H]2CC=CCC2)[nH+]1 ZINC000631203870 372233999 /nfs/dbraw/zinc/23/39/99/372233999.db2.gz GMGKVRNMXJCTKX-JTQLQIEISA-N 1 2 233.319 1.385 20 0 BDADLO OCC1CN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631205281 372235840 /nfs/dbraw/zinc/23/58/40/372235840.db2.gz ZGQLWHFQJNTVAB-UHFFFAOYSA-N 1 2 244.298 1.264 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@]12CCC[C@H]1OCC2 ZINC000631208305 372237072 /nfs/dbraw/zinc/23/70/72/372237072.db2.gz USPFQYPDDQTNPR-MFKMUULPSA-N 1 2 249.314 1.028 20 0 BDADLO Cc1nc(N[C@H]2C[C@@H]2C2CCCCC2)nc(N)[nH+]1 ZINC000631131254 372204674 /nfs/dbraw/zinc/20/46/74/372204674.db2.gz VHPXVYVRXFKKLZ-MNOVXSKESA-N 1 2 247.346 1.973 20 0 BDADLO Cc1nc(N)nc(N[C@H]2C[C@@H]2C2CCCCC2)[nH+]1 ZINC000631131254 372204679 /nfs/dbraw/zinc/20/46/79/372204679.db2.gz VHPXVYVRXFKKLZ-MNOVXSKESA-N 1 2 247.346 1.973 20 0 BDADLO CCCCc1cc(NCCC2(O)CCC2)nc[nH+]1 ZINC000631266681 372271221 /nfs/dbraw/zinc/27/12/21/372271221.db2.gz RIRDBIBDVIELSJ-UHFFFAOYSA-N 1 2 249.358 1.958 20 0 BDADLO O=C1C[C@H](CNc2cc3ccccc3c[nH+]2)CN1 ZINC000631299901 372283735 /nfs/dbraw/zinc/28/37/35/372283735.db2.gz SPNDGZYIJRPEAT-SNVBAGLBSA-N 1 2 241.294 1.783 20 0 BDADLO Cc1nc(NCc2nc(C(F)F)no2)cc[nH+]1 ZINC000631308087 372288183 /nfs/dbraw/zinc/28/81/83/372288183.db2.gz ZWPTWOLLUHINPS-UHFFFAOYSA-N 1 2 241.201 1.140 20 0 BDADLO OC/C=C\CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631355275 372311372 /nfs/dbraw/zinc/31/13/72/372311372.db2.gz HLAFPMQEBROFPY-UPHRSURJSA-N 1 2 244.298 1.747 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(NC/C=C/CO)[nH+]1 ZINC000631355299 372311445 /nfs/dbraw/zinc/31/14/45/372311445.db2.gz HRQPDSPBHOPQAZ-ONEGZZNKSA-N 1 2 246.314 1.993 20 0 BDADLO OC/C=C/CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631355274 372311751 /nfs/dbraw/zinc/31/17/51/372311751.db2.gz HLAFPMQEBROFPY-OWOJBTEDSA-N 1 2 244.298 1.747 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(c2ccccn2)CC1 ZINC000631413963 372345966 /nfs/dbraw/zinc/34/59/66/372345966.db2.gz NITSTZQVPGWQOA-UHFFFAOYSA-N 1 2 242.282 1.153 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(c2ccccn2)CC1 ZINC000631413963 372345972 /nfs/dbraw/zinc/34/59/72/372345972.db2.gz NITSTZQVPGWQOA-UHFFFAOYSA-N 1 2 242.282 1.153 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1(C(F)F)CCC1 ZINC000631413191 372346394 /nfs/dbraw/zinc/34/63/94/372346394.db2.gz CUENBTCUDUYXBX-UHFFFAOYSA-N 1 2 229.230 1.461 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1(C(F)F)CCC1 ZINC000631413191 372346396 /nfs/dbraw/zinc/34/63/96/372346396.db2.gz CUENBTCUDUYXBX-UHFFFAOYSA-N 1 2 229.230 1.461 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C(N)=O)co2)o1 ZINC000189406905 259552727 /nfs/dbraw/zinc/55/27/27/259552727.db2.gz GFQXDZHTWGGGBL-UHFFFAOYSA-N 1 2 234.255 1.570 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C(F)F)CCC1 ZINC000631595224 372447127 /nfs/dbraw/zinc/44/71/27/372447127.db2.gz VVKDDXXJAJKNJS-UHFFFAOYSA-N 1 2 243.257 1.770 20 0 BDADLO FC(F)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000171994222 372850383 /nfs/dbraw/zinc/85/03/83/372850383.db2.gz OUVOXRJONIQVCP-VIFPVBQESA-N 1 2 230.262 1.255 20 0 BDADLO FC(F)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000171994222 372850389 /nfs/dbraw/zinc/85/03/89/372850389.db2.gz OUVOXRJONIQVCP-VIFPVBQESA-N 1 2 230.262 1.255 20 0 BDADLO O=C(C[C@@H]1C=CCC1)NCCNc1cccc[nH+]1 ZINC000299239218 182013264 /nfs/dbraw/zinc/01/32/64/182013264.db2.gz UWHYUWBVGLAWFJ-GFCCVEGCSA-N 1 2 245.326 1.966 20 0 BDADLO CC(C)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000632417990 372927901 /nfs/dbraw/zinc/92/79/01/372927901.db2.gz SZAGQPPDNJRFCX-RKDXNWHRSA-N 1 2 222.292 1.597 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCSC[C@@H]1C ZINC000172589901 373019129 /nfs/dbraw/zinc/01/91/29/373019129.db2.gz FNBPRSWSPATBRI-JTQLQIEISA-N 1 2 225.361 1.840 20 0 BDADLO CCn1ccnc1C[N@H+]1CCSC[C@@H]1C ZINC000172589901 373019132 /nfs/dbraw/zinc/01/91/32/373019132.db2.gz FNBPRSWSPATBRI-JTQLQIEISA-N 1 2 225.361 1.840 20 0 BDADLO CC[C@H](NC(=O)CCCCO)c1[nH]cc[nH+]1 ZINC000141867712 373055988 /nfs/dbraw/zinc/05/59/88/373055988.db2.gz CARNBRAFCNVJKU-VIFPVBQESA-N 1 2 225.292 1.140 20 0 BDADLO CCOC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000172909461 373105716 /nfs/dbraw/zinc/10/57/16/373105716.db2.gz YAMMRDLSJZSLHL-LLVKDONJSA-N 1 2 233.311 1.996 20 0 BDADLO CCOC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000172909461 373105719 /nfs/dbraw/zinc/10/57/19/373105719.db2.gz YAMMRDLSJZSLHL-LLVKDONJSA-N 1 2 233.311 1.996 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(C1CC1)C1CCCC1 ZINC000076830166 182070088 /nfs/dbraw/zinc/07/00/88/182070088.db2.gz FFFHDZTWFMCBNS-UHFFFAOYSA-N 1 2 233.315 1.817 20 0 BDADLO CC[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632928127 373223470 /nfs/dbraw/zinc/22/34/70/373223470.db2.gz OXPZLOOIPDHEEC-NXEZZACHSA-N 1 2 238.335 1.986 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000336489198 182085840 /nfs/dbraw/zinc/08/58/40/182085840.db2.gz CEXSNTGWSVRUDI-VROVMSAKSA-N 1 2 218.256 1.194 20 0 BDADLO Cc1conc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000633169626 373319720 /nfs/dbraw/zinc/31/97/20/373319720.db2.gz DUKYSGUOVCJSKS-SSDOTTSWSA-N 1 2 220.232 1.197 20 0 BDADLO O=C(NC1CCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000329463241 182107030 /nfs/dbraw/zinc/10/70/30/182107030.db2.gz UHULHCGSVHKXLE-UHFFFAOYSA-N 1 2 242.282 1.550 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633236694 373387240 /nfs/dbraw/zinc/38/72/40/373387240.db2.gz RGTWAMGNOFYGIP-IUCAKERBSA-N 1 2 222.292 1.350 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CSC1 ZINC000633288625 373453032 /nfs/dbraw/zinc/45/30/32/373453032.db2.gz NLFCLNVPALLESW-QMMMGPOBSA-N 1 2 239.344 1.443 20 0 BDADLO Cc1conc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000633334291 373479621 /nfs/dbraw/zinc/47/96/21/373479621.db2.gz PYAOZCZNOZJDDP-BDAKNGLRSA-N 1 2 246.270 1.615 20 0 BDADLO CCC(F)(F)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633366757 373500589 /nfs/dbraw/zinc/50/05/89/373500589.db2.gz CDLGSCQYQZUGMA-UHFFFAOYSA-N 1 2 246.261 1.596 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1=CCCC1 ZINC000633375765 373506469 /nfs/dbraw/zinc/50/64/69/373506469.db2.gz QDVVVARRWPBBRO-UHFFFAOYSA-N 1 2 234.303 1.661 20 0 BDADLO O=C(NCC1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271309369 182140445 /nfs/dbraw/zinc/14/04/45/182140445.db2.gz LHWWLNPRCNQSSE-UHFFFAOYSA-N 1 2 242.282 1.407 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCSCC2)o1 ZINC000069608638 373523638 /nfs/dbraw/zinc/52/36/38/373523638.db2.gz LEXPBNLMOGFRMJ-SSDOTTSWSA-N 1 2 213.306 1.488 20 0 BDADLO O=C(NCC1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000336368983 182143449 /nfs/dbraw/zinc/14/34/49/182143449.db2.gz ZGHXMQDHUFDYKD-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCCC12CC2 ZINC000633416273 373538708 /nfs/dbraw/zinc/53/87/08/373538708.db2.gz XJYXPQKNHRQEAH-JTQLQIEISA-N 1 2 248.330 1.884 20 0 BDADLO CCOC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000633649766 373659378 /nfs/dbraw/zinc/65/93/78/373659378.db2.gz PQBJTNVOVLCQJM-VIFPVBQESA-N 1 2 239.319 1.412 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000633602752 373619727 /nfs/dbraw/zinc/61/97/27/373619727.db2.gz QNOSEWBEBXZONV-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000633602752 373619732 /nfs/dbraw/zinc/61/97/32/373619732.db2.gz QNOSEWBEBXZONV-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO CC(C)(F)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000633720459 373706878 /nfs/dbraw/zinc/70/68/78/373706878.db2.gz MTCHQRSKHXRANU-SECBINFHSA-N 1 2 239.294 1.310 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCC12CC2 ZINC000633768522 373736128 /nfs/dbraw/zinc/73/61/28/373736128.db2.gz IVNKPEDECOTQSP-NSHDSACASA-N 1 2 233.315 1.722 20 0 BDADLO O=C(NCCCF)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368456532 182166516 /nfs/dbraw/zinc/16/65/16/182166516.db2.gz ATTBFNWNSUKUQP-QMMMGPOBSA-N 1 2 225.267 1.305 20 0 BDADLO O=C(NCCCF)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000368456532 182166519 /nfs/dbraw/zinc/16/65/19/182166519.db2.gz ATTBFNWNSUKUQP-QMMMGPOBSA-N 1 2 225.267 1.305 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N1CCCC1 ZINC000048729388 182177310 /nfs/dbraw/zinc/17/73/10/182177310.db2.gz WRSYLNLENLBXMA-UHFFFAOYSA-N 1 2 222.292 1.079 20 0 BDADLO CCC(C)(C)CCNC(=O)Cc1c[nH+]cn1C ZINC000633969113 373869384 /nfs/dbraw/zinc/86/93/84/373869384.db2.gz GMVGGFMRTACCCS-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCCC2(CC2)C1 ZINC000184743708 182214535 /nfs/dbraw/zinc/21/45/35/182214535.db2.gz ONLGFWPAZDBJEL-UHFFFAOYSA-N 1 2 248.330 1.469 20 0 BDADLO O=C(NCCn1cc[nH+]c1)C1CCCCCC1 ZINC000171024889 182214702 /nfs/dbraw/zinc/21/47/02/182214702.db2.gz BXARMJOITMSZRR-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CCC=C(F)C1 ZINC000273967670 182215603 /nfs/dbraw/zinc/21/56/03/182215603.db2.gz RDTNIYJOVRKHIE-UHFFFAOYSA-N 1 2 238.266 1.152 20 0 BDADLO O=C(NCCc1cn2ccccc2[nH+]1)NC1CC1 ZINC000029320154 182210670 /nfs/dbraw/zinc/21/06/70/182210670.db2.gz YPUFXEUEGLOGBO-UHFFFAOYSA-N 1 2 244.298 1.338 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cnn2c1CCCC2 ZINC000634218899 374040661 /nfs/dbraw/zinc/04/06/61/374040661.db2.gz OUCWYBNDSDSFCK-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2snnc2C)o1 ZINC000381949068 374169750 /nfs/dbraw/zinc/16/97/50/374169750.db2.gz AUVDKURQWNMZEB-UHFFFAOYSA-N 1 2 238.316 1.741 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCCC1(F)F ZINC000327914983 182248104 /nfs/dbraw/zinc/24/81/04/182248104.db2.gz RLWYDELKZWUCLT-SECBINFHSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCCC1(F)F ZINC000327914983 182248107 /nfs/dbraw/zinc/24/81/07/182248107.db2.gz RLWYDELKZWUCLT-SECBINFHSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc2cc[nH]c2n1 ZINC000354395739 182273240 /nfs/dbraw/zinc/27/32/40/182273240.db2.gz QKZNLISSAJNSBZ-UHFFFAOYSA-N 1 2 241.254 1.216 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOCC1CCCC1 ZINC000459307865 206007914 /nfs/dbraw/zinc/00/79/14/206007914.db2.gz AAAHIQCJVUNIQD-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOCC1CCCC1 ZINC000459307865 206007921 /nfs/dbraw/zinc/00/79/21/206007921.db2.gz AAAHIQCJVUNIQD-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C(C1CC1)C1CC1 ZINC000128618014 182271804 /nfs/dbraw/zinc/27/18/04/182271804.db2.gz WOBWNUWRFDFTDE-UHFFFAOYSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NOCC1CC1)Nc1ccn2cc[nH+]c2c1 ZINC000297118224 182281583 /nfs/dbraw/zinc/28/15/83/182281583.db2.gz NHEKBHAOFVAUJX-UHFFFAOYSA-N 1 2 246.270 1.797 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000437056062 206067765 /nfs/dbraw/zinc/06/77/65/206067765.db2.gz HQAMFULREHUJRI-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCOC(C)C ZINC000194422802 206091825 /nfs/dbraw/zinc/09/18/25/206091825.db2.gz OSLQLDRNIYTKCX-UHFFFAOYSA-N 1 2 235.291 1.293 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000450477478 206081686 /nfs/dbraw/zinc/08/16/86/206081686.db2.gz BDQKGTCMFNTRCA-ZDUSSCGKSA-N 1 2 228.299 1.622 20 0 BDADLO c1nn[nH]c1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000450477478 206081693 /nfs/dbraw/zinc/08/16/93/206081693.db2.gz BDQKGTCMFNTRCA-ZDUSSCGKSA-N 1 2 228.299 1.622 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000450477478 206081700 /nfs/dbraw/zinc/08/17/00/206081700.db2.gz BDQKGTCMFNTRCA-ZDUSSCGKSA-N 1 2 228.299 1.622 20 0 BDADLO c1[nH]nnc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000450477478 206081705 /nfs/dbraw/zinc/08/17/05/206081705.db2.gz BDQKGTCMFNTRCA-ZDUSSCGKSA-N 1 2 228.299 1.622 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000450477478 206081711 /nfs/dbraw/zinc/08/17/11/206081711.db2.gz BDQKGTCMFNTRCA-ZDUSSCGKSA-N 1 2 228.299 1.622 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000450477478 206081713 /nfs/dbraw/zinc/08/17/13/206081713.db2.gz BDQKGTCMFNTRCA-ZDUSSCGKSA-N 1 2 228.299 1.622 20 0 BDADLO Cc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000445673919 206085402 /nfs/dbraw/zinc/08/54/02/206085402.db2.gz GVLRFVPWSHJYCF-DCAQKATOSA-N 1 2 221.304 1.787 20 0 BDADLO CCOC1CC([N@H+](C)Cc2cnns2)C1 ZINC000451027779 206106195 /nfs/dbraw/zinc/10/61/95/206106195.db2.gz HTVXNJNJOVKLOI-UHFFFAOYSA-N 1 2 227.333 1.537 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2cnns2)C1 ZINC000451027779 206106201 /nfs/dbraw/zinc/10/62/01/206106201.db2.gz HTVXNJNJOVKLOI-UHFFFAOYSA-N 1 2 227.333 1.537 20 0 BDADLO CCOC(=O)C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000194489233 206092144 /nfs/dbraw/zinc/09/21/44/206092144.db2.gz RWAPPRBGOXTPJC-CABZTGNLSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC=CC1 ZINC000335158989 182342426 /nfs/dbraw/zinc/34/24/26/182342426.db2.gz RPPCHOQVRFZISD-JTQLQIEISA-N 1 2 231.299 1.349 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC=CC1 ZINC000335158989 182342430 /nfs/dbraw/zinc/34/24/30/182342430.db2.gz RPPCHOQVRFZISD-JTQLQIEISA-N 1 2 231.299 1.349 20 0 BDADLO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1COCC[NH2+]1 ZINC000088357663 182364677 /nfs/dbraw/zinc/36/46/77/182364677.db2.gz JBYILDHYRAQQDV-ZDUSSCGKSA-N 1 2 246.310 1.102 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccnc1 ZINC000355287340 182384780 /nfs/dbraw/zinc/38/47/80/182384780.db2.gz HQOXNCSHUDWJTA-UHFFFAOYSA-N 1 2 238.250 1.982 20 0 BDADLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc(F)c[nH]1 ZINC000336304852 182392322 /nfs/dbraw/zinc/39/23/22/182392322.db2.gz LNPLMHTXNXUBMB-UHFFFAOYSA-N 1 2 248.261 1.939 20 0 BDADLO O=C1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CN1 ZINC000330148894 183026653 /nfs/dbraw/zinc/02/66/53/183026653.db2.gz UWFJMCRNMWYWBW-SECBINFHSA-N 1 2 247.302 1.218 20 0 BDADLO O=C1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CN1 ZINC000330148894 183026656 /nfs/dbraw/zinc/02/66/56/183026656.db2.gz UWFJMCRNMWYWBW-SECBINFHSA-N 1 2 247.302 1.218 20 0 BDADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ncccn1 ZINC000328764984 183026026 /nfs/dbraw/zinc/02/60/26/183026026.db2.gz DVKLWGWYZPWOBR-NXEZZACHSA-N 1 2 232.287 1.027 20 0 BDADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ncccn1 ZINC000328764984 183026030 /nfs/dbraw/zinc/02/60/30/183026030.db2.gz DVKLWGWYZPWOBR-NXEZZACHSA-N 1 2 232.287 1.027 20 0 BDADLO OCC1([NH2+]Cc2ccn[nH]2)Cc2ccccc2C1 ZINC000363543988 183038942 /nfs/dbraw/zinc/03/89/42/183038942.db2.gz HYQRDZSKLPHBQM-UHFFFAOYSA-N 1 2 243.310 1.029 20 0 BDADLO OCCCSCCNc1cccc[nH+]1 ZINC000230903860 183061830 /nfs/dbraw/zinc/06/18/30/183061830.db2.gz TYWZGHONTFESSF-UHFFFAOYSA-N 1 2 212.318 1.609 20 0 BDADLO OCC[N@H+](CCCCCF)CC(F)F ZINC000336695399 183066348 /nfs/dbraw/zinc/06/63/48/183066348.db2.gz SMNASHJLKCZQOT-UHFFFAOYSA-N 1 2 213.243 1.686 20 0 BDADLO OCC[N@@H+](CCCCCF)CC(F)F ZINC000336695399 183066349 /nfs/dbraw/zinc/06/63/49/183066349.db2.gz SMNASHJLKCZQOT-UHFFFAOYSA-N 1 2 213.243 1.686 20 0 BDADLO OCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292795405 183079380 /nfs/dbraw/zinc/07/93/80/183079380.db2.gz QWSYDVMRQBYPPY-SECBINFHSA-N 1 2 201.216 1.575 20 0 BDADLO OCC[C@@H]1CSCC[N@@H+]1Cc1cscn1 ZINC000355086850 183094144 /nfs/dbraw/zinc/09/41/44/183094144.db2.gz LHBHYNDSVNMTPS-SNVBAGLBSA-N 1 2 244.385 1.443 20 0 BDADLO OCC[C@@H]1CSCC[N@H+]1Cc1cscn1 ZINC000355086850 183094146 /nfs/dbraw/zinc/09/41/46/183094146.db2.gz LHBHYNDSVNMTPS-SNVBAGLBSA-N 1 2 244.385 1.443 20 0 BDADLO CCCC[C@H](COC)[NH2+][C@@H](C)C(=O)OC ZINC000309244736 169004405 /nfs/dbraw/zinc/00/44/05/169004405.db2.gz YYUNFIJGWYTRSF-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO OC[C@@H]1CCCC[N@H+](Cc2csnn2)C1 ZINC000377245254 183116906 /nfs/dbraw/zinc/11/69/06/183116906.db2.gz ZHLNXBIEWNQCQL-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@@H]1CCCC[N@@H+](Cc2csnn2)C1 ZINC000377245254 183116907 /nfs/dbraw/zinc/11/69/07/183116907.db2.gz ZHLNXBIEWNQCQL-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000050114252 183120076 /nfs/dbraw/zinc/12/00/76/183120076.db2.gz NUBNCGHFFNDSMI-QMMMGPOBSA-N 1 2 231.246 1.235 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000050114252 183120079 /nfs/dbraw/zinc/12/00/79/183120079.db2.gz NUBNCGHFFNDSMI-QMMMGPOBSA-N 1 2 231.246 1.235 20 0 BDADLO CCCC[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)OC ZINC000328192121 169012661 /nfs/dbraw/zinc/01/26/61/169012661.db2.gz AQWWKAZZBVPGCN-WDEREUQCSA-N 1 2 243.347 1.875 20 0 BDADLO CCCC[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)OC ZINC000300423417 169012782 /nfs/dbraw/zinc/01/27/82/169012782.db2.gz RHYHXKLPFCHVMB-GMXVVIOVSA-N 1 2 243.347 1.875 20 0 BDADLO OC[C@@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000357828416 183104351 /nfs/dbraw/zinc/10/43/51/183104351.db2.gz PYMGXZBJFQQESC-LLVKDONJSA-N 1 2 243.310 1.482 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cncs2)C1 ZINC000336250751 183133408 /nfs/dbraw/zinc/13/34/08/183133408.db2.gz FZRJZFMUCTXGCV-SECBINFHSA-N 1 2 216.281 1.049 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cncs2)C1 ZINC000336250751 183133409 /nfs/dbraw/zinc/13/34/09/183133409.db2.gz FZRJZFMUCTXGCV-SECBINFHSA-N 1 2 216.281 1.049 20 0 BDADLO OC[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000063000779 183141377 /nfs/dbraw/zinc/14/13/77/183141377.db2.gz ZPEZRJRZHUQJTI-NSHDSACASA-N 1 2 217.272 1.233 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1CCC(F)(F)F ZINC000346357779 183129569 /nfs/dbraw/zinc/12/95/69/183129569.db2.gz BBQCSBSKCAVEKH-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1CCC(F)(F)F ZINC000346357779 183129572 /nfs/dbraw/zinc/12/95/72/183129572.db2.gz BBQCSBSKCAVEKH-BQBZGAKWSA-N 1 2 215.190 1.344 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(F)nc1 ZINC000372641500 183130209 /nfs/dbraw/zinc/13/02/09/183130209.db2.gz SYICYJHNRNHZHI-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(F)nc1 ZINC000372641500 183130212 /nfs/dbraw/zinc/13/02/12/183130212.db2.gz SYICYJHNRNHZHI-UWVGGRQHSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000048743352 183148634 /nfs/dbraw/zinc/14/86/34/183148634.db2.gz QSFPQJZYYHZTAQ-SECBINFHSA-N 1 2 245.273 1.625 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000048743352 183148635 /nfs/dbraw/zinc/14/86/35/183148635.db2.gz QSFPQJZYYHZTAQ-SECBINFHSA-N 1 2 245.273 1.625 20 0 BDADLO OC[C@H]1CCCN1c1cccc(-n2cc[nH+]c2)n1 ZINC000364440432 183152122 /nfs/dbraw/zinc/15/21/22/183152122.db2.gz GCUSLKQFJRIBHD-LLVKDONJSA-N 1 2 244.298 1.228 20 0 BDADLO O[C@@H](C[NH2+]Cc1csnn1)c1ccsc1 ZINC000133233604 183180989 /nfs/dbraw/zinc/18/09/89/183180989.db2.gz ATPSMEIIKGVAJU-VIFPVBQESA-N 1 2 241.341 1.423 20 0 BDADLO O[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000293902002 183192891 /nfs/dbraw/zinc/19/28/91/183192891.db2.gz COXKHDLNBIGRKX-SNVBAGLBSA-N 1 2 231.299 1.914 20 0 BDADLO O[C@H](C[NH+]1CCOCC1)c1ccccc1F ZINC000019784982 183221668 /nfs/dbraw/zinc/22/16/68/183221668.db2.gz IGLDNQJACBXBGZ-GFCCVEGCSA-N 1 2 225.263 1.191 20 0 BDADLO O[C@H](C[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000044115518 183222453 /nfs/dbraw/zinc/22/24/53/183222453.db2.gz OGGVRZIKXDLOSF-GFCCVEGCSA-N 1 2 247.294 1.798 20 0 BDADLO O[C@H](COc1ccccc1F)Cn1cc[nH+]c1 ZINC000298209605 183227782 /nfs/dbraw/zinc/22/77/82/183227782.db2.gz SIVJDGLROYVZDU-JTQLQIEISA-N 1 2 236.246 1.462 20 0 BDADLO O[C@@H]1COC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000296131293 183211517 /nfs/dbraw/zinc/21/15/17/183211517.db2.gz WOFBBYVSNKGMSE-VXGBXAGGSA-N 1 2 230.267 1.406 20 0 BDADLO O[C@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000061709177 183240208 /nfs/dbraw/zinc/24/02/08/183240208.db2.gz VVBKRPOXIIPIJF-NSHDSACASA-N 1 2 245.282 1.303 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000061709177 183240210 /nfs/dbraw/zinc/24/02/10/183240210.db2.gz VVBKRPOXIIPIJF-NSHDSACASA-N 1 2 245.282 1.303 20 0 BDADLO CCCN(CC)C(=O)CCn1cc[nH+]c1 ZINC000299551460 169111662 /nfs/dbraw/zinc/11/16/62/169111662.db2.gz DBCDHTLYXXPWPD-UHFFFAOYSA-N 1 2 209.293 1.532 20 0 BDADLO O[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000061707588 183240743 /nfs/dbraw/zinc/24/07/43/183240743.db2.gz OMJNLMLEQFFMCQ-QMMMGPOBSA-N 1 2 203.245 1.134 20 0 BDADLO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccn[nH]1 ZINC000082990931 183232749 /nfs/dbraw/zinc/23/27/49/183232749.db2.gz GPHFGVZYQXJWRZ-ONGXEEELSA-N 1 2 209.293 1.050 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)COC(C)C ZINC000309056164 169108465 /nfs/dbraw/zinc/10/84/65/169108465.db2.gz MNTMMGBEJPCQHI-JTQLQIEISA-N 1 2 239.306 1.749 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)COC(C)C ZINC000309056164 169108466 /nfs/dbraw/zinc/10/84/66/169108466.db2.gz MNTMMGBEJPCQHI-JTQLQIEISA-N 1 2 239.306 1.749 20 0 BDADLO CCCN(CC)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000299159446 169132815 /nfs/dbraw/zinc/13/28/15/169132815.db2.gz ZJNKHNBGGNPDHZ-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CCCN(CC)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000299159446 169132817 /nfs/dbraw/zinc/13/28/17/169132817.db2.gz ZJNKHNBGGNPDHZ-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO Oc1cccc(CN2CCn3cc[nH+]c3C2)c1 ZINC000211382034 183289175 /nfs/dbraw/zinc/28/91/75/183289175.db2.gz KUZIPDHCJCXJCE-UHFFFAOYSA-N 1 2 229.283 1.605 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000377585779 183306437 /nfs/dbraw/zinc/30/64/37/183306437.db2.gz RVBGKTRZOPRJRZ-VIFPVBQESA-N 1 2 236.319 1.632 20 0 BDADLO O=c1[nH]nc([C@H]2CCC[N@H+](C3CCCC3)C2)[nH]1 ZINC000377585779 183306439 /nfs/dbraw/zinc/30/64/39/183306439.db2.gz RVBGKTRZOPRJRZ-VIFPVBQESA-N 1 2 236.319 1.632 20 0 BDADLO c1c[nH+]c(CNc2ccc3c(c2)OCO3)[nH]1 ZINC000049714603 183325463 /nfs/dbraw/zinc/32/54/63/183325463.db2.gz XXURXIUTPNVOHI-UHFFFAOYSA-N 1 2 217.228 1.751 20 0 BDADLO CCCN1CCC[N@H+](Cc2ccno2)CC1=O ZINC000276435484 169192988 /nfs/dbraw/zinc/19/29/88/169192988.db2.gz TVLVJZLFXZRHPJ-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO CCCN1CCC[N@@H+](Cc2ccno2)CC1=O ZINC000276435484 169192990 /nfs/dbraw/zinc/19/29/90/169192990.db2.gz TVLVJZLFXZRHPJ-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO c1cc(-c2noc([C@H]3CSCC[NH2+]3)n2)ccn1 ZINC000096881635 183333495 /nfs/dbraw/zinc/33/34/95/183333495.db2.gz NCPQAKZHXHWBLX-SECBINFHSA-N 1 2 248.311 1.509 20 0 BDADLO c1cc(-c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)o2)n[nH]1 ZINC000366514313 183329720 /nfs/dbraw/zinc/32/97/20/183329720.db2.gz CWVYXVASLWVXLO-YPMHNXCESA-N 1 2 245.282 1.643 20 0 BDADLO c1cc(-c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)o2)n[nH]1 ZINC000366514313 183329724 /nfs/dbraw/zinc/32/97/24/183329724.db2.gz CWVYXVASLWVXLO-YPMHNXCESA-N 1 2 245.282 1.643 20 0 BDADLO c1cc(C[N@@H+]2CCC[C@@H]2c2ncon2)c[nH]1 ZINC000371374002 183342379 /nfs/dbraw/zinc/34/23/79/183342379.db2.gz PGJUDLHXCYBIJY-SNVBAGLBSA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@H+]2CCC[C@@H]2c2ncon2)c[nH]1 ZINC000371374002 183342381 /nfs/dbraw/zinc/34/23/81/183342381.db2.gz PGJUDLHXCYBIJY-SNVBAGLBSA-N 1 2 218.260 1.735 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)on1 ZINC000365995114 183344032 /nfs/dbraw/zinc/34/40/32/183344032.db2.gz DJJMGGRYWFAVQK-VXGBXAGGSA-N 1 2 238.287 1.054 20 0 BDADLO c1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)on1 ZINC000365995114 183344035 /nfs/dbraw/zinc/34/40/35/183344035.db2.gz DJJMGGRYWFAVQK-VXGBXAGGSA-N 1 2 238.287 1.054 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@]23CCOC3)cs1 ZINC000195011363 183344610 /nfs/dbraw/zinc/34/46/10/183344610.db2.gz BWGDZCIGLMINRO-GFCCVEGCSA-N 1 2 239.340 1.739 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@]23CCOC3)cs1 ZINC000195011363 183344614 /nfs/dbraw/zinc/34/46/14/183344614.db2.gz BWGDZCIGLMINRO-GFCCVEGCSA-N 1 2 239.340 1.739 20 0 BDADLO c1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)[nH]n1 ZINC000271465389 183352814 /nfs/dbraw/zinc/35/28/14/183352814.db2.gz UZOWGOOJRCKYQF-NSHDSACASA-N 1 2 237.303 1.185 20 0 BDADLO CCCNC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127768191 169218981 /nfs/dbraw/zinc/21/89/81/169218981.db2.gz UXOJJDHTEKYRRI-LLVKDONJSA-N 1 2 235.331 1.601 20 0 BDADLO CCCNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127768191 169218983 /nfs/dbraw/zinc/21/89/83/169218983.db2.gz UXOJJDHTEKYRRI-LLVKDONJSA-N 1 2 235.331 1.601 20 0 BDADLO CCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356100893 169222018 /nfs/dbraw/zinc/22/20/18/169222018.db2.gz TYDARBFENSHDOW-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000356100893 169222020 /nfs/dbraw/zinc/22/20/20/169222020.db2.gz TYDARBFENSHDOW-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000003942237 169245108 /nfs/dbraw/zinc/24/51/08/169245108.db2.gz IKZRMUSLTIKWEC-MRVPVSSYSA-N 1 2 207.277 1.041 20 0 BDADLO CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000003942237 169245110 /nfs/dbraw/zinc/24/51/10/169245110.db2.gz IKZRMUSLTIKWEC-MRVPVSSYSA-N 1 2 207.277 1.041 20 0 BDADLO CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336340006 169248715 /nfs/dbraw/zinc/24/87/15/169248715.db2.gz AKWXLBACEJTWAK-QMMMGPOBSA-N 1 2 207.277 1.356 20 0 BDADLO CCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000336340006 169248716 /nfs/dbraw/zinc/24/87/16/169248716.db2.gz AKWXLBACEJTWAK-QMMMGPOBSA-N 1 2 207.277 1.356 20 0 BDADLO c1cn(Cc2ncnn2-c2ccccc2)c[nH+]1 ZINC000337165698 183387915 /nfs/dbraw/zinc/38/79/15/183387915.db2.gz YVJHJASCHINJMI-UHFFFAOYSA-N 1 2 225.255 1.512 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCOCC[C@H]1C ZINC000378506157 169299031 /nfs/dbraw/zinc/29/90/31/169299031.db2.gz QZSFXWILLWGHCJ-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCOCC[C@H]1C ZINC000378506157 169299033 /nfs/dbraw/zinc/29/90/33/169299033.db2.gz QZSFXWILLWGHCJ-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000265975749 169299985 /nfs/dbraw/zinc/29/99/85/169299985.db2.gz BJJHOXSOVVEGDA-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO CCC[C@@H](CC)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000353160431 169377719 /nfs/dbraw/zinc/37/77/19/169377719.db2.gz DIQSUIIZNKCLTB-BDAKNGLRSA-N 1 2 234.290 1.679 20 0 BDADLO Cc1nscc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000181985673 134340890 /nfs/dbraw/zinc/34/08/90/134340890.db2.gz JWMHPLZODSYGSQ-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO CO[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1(C)C ZINC000493757806 532954306 /nfs/dbraw/zinc/95/43/06/532954306.db2.gz PBOSCKYXDHIWFT-BXXZLRJFSA-N 1 2 249.314 1.353 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)C12CCC2 ZINC000308379341 532963961 /nfs/dbraw/zinc/96/39/61/532963961.db2.gz VJCKKVFWTJYERI-WDEREUQCSA-N 1 2 221.304 1.457 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCO[C@@H](CC)C1 ZINC000227035413 134373837 /nfs/dbraw/zinc/37/38/37/134373837.db2.gz CMEHQLTXHIXEQG-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO CCC[C@](C)(NCc1[nH+]ccn1C)C(=O)OC ZINC000111247003 383842645 /nfs/dbraw/zinc/84/26/45/383842645.db2.gz YHNJRXIBRZDALT-LBPRGKRZSA-N 1 2 239.319 1.242 20 0 BDADLO Cc1c(C(=O)N2CCn3c[nH+]cc3C2)ccn1C ZINC000642898492 383861063 /nfs/dbraw/zinc/86/10/63/383861063.db2.gz VDEPFZUDCZBUKW-UHFFFAOYSA-N 1 2 244.298 1.186 20 0 BDADLO O=S1(=O)CCCC[C@@H]1CNc1cccc[nH+]1 ZINC000309567083 383868621 /nfs/dbraw/zinc/86/86/21/383868621.db2.gz LFSYLJZBWXNPRD-SNVBAGLBSA-N 1 2 240.328 1.461 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000050104485 383913894 /nfs/dbraw/zinc/91/38/94/383913894.db2.gz DDAFIXROFWBOQI-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000050104485 383913901 /nfs/dbraw/zinc/91/39/01/383913901.db2.gz DDAFIXROFWBOQI-SECBINFHSA-N 1 2 237.303 1.151 20 0 BDADLO Cc1n[nH]cc1CNc1ccc(N(C)C)[nH+]c1 ZINC000036989117 383924482 /nfs/dbraw/zinc/92/44/82/383924482.db2.gz SXLUGAUPOGQWBG-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)[C@H]1C ZINC000559349739 383894856 /nfs/dbraw/zinc/89/48/56/383894856.db2.gz LLPAHMIZUFOYDX-SFYZADRCSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)[C@H]1C ZINC000559349739 383894865 /nfs/dbraw/zinc/89/48/65/383894865.db2.gz LLPAHMIZUFOYDX-SFYZADRCSA-N 1 2 207.277 1.787 20 0 BDADLO CO[C@@]1(C)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493482328 533022499 /nfs/dbraw/zinc/02/24/99/533022499.db2.gz HCDMUTAVOGWMKC-IHVVCDCBSA-N 1 2 249.314 1.450 20 0 BDADLO Cc1cc(NC(=O)N(C)[C@@H]2CCCOC2)cc[nH+]1 ZINC000558399706 383981798 /nfs/dbraw/zinc/98/17/98/383981798.db2.gz SICKRLPJESXHPV-GFCCVEGCSA-N 1 2 249.314 1.455 20 0 BDADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1csnn1 ZINC000558426535 383999815 /nfs/dbraw/zinc/99/98/15/383999815.db2.gz MLALXQKSWRNJRQ-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1csnn1 ZINC000558426535 383999820 /nfs/dbraw/zinc/99/98/20/383999820.db2.gz MLALXQKSWRNJRQ-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]([NH2+]CC1=CCCC1)c1ncn(C)n1 ZINC000401125217 383963368 /nfs/dbraw/zinc/96/33/68/383963368.db2.gz TWGISCMUHCMZKP-SECBINFHSA-N 1 2 206.293 1.576 20 0 BDADLO Cn1ncc2c1nc[nH+]c2SCC(=O)C1CC1 ZINC000068049953 383968981 /nfs/dbraw/zinc/96/89/81/383968981.db2.gz NMORQLRZTHMKMD-UHFFFAOYSA-N 1 2 248.311 1.435 20 0 BDADLO CC(C)SCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000520066741 383970217 /nfs/dbraw/zinc/97/02/17/383970217.db2.gz LXUGSJUCIQVADR-UHFFFAOYSA-N 1 2 242.388 1.435 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000560214888 383977464 /nfs/dbraw/zinc/97/74/64/383977464.db2.gz OBEHITLWPVVIRW-GHMZBOCLSA-N 1 2 236.319 1.053 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000560214888 383977468 /nfs/dbraw/zinc/97/74/68/383977468.db2.gz OBEHITLWPVVIRW-GHMZBOCLSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000560214888 383977474 /nfs/dbraw/zinc/97/74/74/383977474.db2.gz OBEHITLWPVVIRW-GHMZBOCLSA-N 1 2 236.319 1.053 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000560214888 383977480 /nfs/dbraw/zinc/97/74/80/383977480.db2.gz OBEHITLWPVVIRW-GHMZBOCLSA-N 1 2 236.319 1.053 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@H]1C1CC1 ZINC000090008095 384022382 /nfs/dbraw/zinc/02/23/82/384022382.db2.gz ZRCJKWLVJZFDLV-NSHDSACASA-N 1 2 221.304 1.031 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)[C@H]1SC ZINC000309425443 384046912 /nfs/dbraw/zinc/04/69/12/384046912.db2.gz FDZKRBWLMMBIOO-ZYUZMQFOSA-N 1 2 247.360 1.047 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000076344879 384056551 /nfs/dbraw/zinc/05/65/51/384056551.db2.gz WMDGWQMVJRKVFR-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000076344879 384056560 /nfs/dbraw/zinc/05/65/60/384056560.db2.gz WMDGWQMVJRKVFR-JTQLQIEISA-N 1 2 237.303 1.558 20 0 BDADLO Cc1nc(C[NH+]2CCC3(CC3)CC2)no1 ZINC000363459522 384060993 /nfs/dbraw/zinc/06/09/93/384060993.db2.gz NONURFBLSCDRSO-UHFFFAOYSA-N 1 2 207.277 1.754 20 0 BDADLO CCN(CC(C)C)C(=O)NCc1c[nH+]cn1C ZINC000292481772 384075536 /nfs/dbraw/zinc/07/55/36/384075536.db2.gz ZPCILAAPWZHQTK-UHFFFAOYSA-N 1 2 238.335 1.608 20 0 BDADLO C[C@@H]1[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1(F)F ZINC000336536258 384091664 /nfs/dbraw/zinc/09/16/64/384091664.db2.gz CTDSLKAOMRAMAD-APPZFPTMSA-N 1 2 241.241 1.127 20 0 BDADLO CO[C@H]1CC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000332655897 384097911 /nfs/dbraw/zinc/09/79/11/384097911.db2.gz NKBHXCWSGJUBGK-ZJUUUORDSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@H]1CC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000332655897 384097918 /nfs/dbraw/zinc/09/79/18/384097918.db2.gz NKBHXCWSGJUBGK-ZJUUUORDSA-N 1 2 239.319 1.975 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000050048296 384100590 /nfs/dbraw/zinc/10/05/90/384100590.db2.gz MUNSMICKFYZUIO-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000050048296 384100597 /nfs/dbraw/zinc/10/05/97/384100597.db2.gz MUNSMICKFYZUIO-LLVKDONJSA-N 1 2 220.272 1.219 20 0 BDADLO COC(=O)C[N@H+](C)CCSc1ccccc1 ZINC000050047733 384102683 /nfs/dbraw/zinc/10/26/83/384102683.db2.gz YNSBYPUXWFAZCV-UHFFFAOYSA-N 1 2 239.340 1.884 20 0 BDADLO COC(=O)C[N@@H+](C)CCSc1ccccc1 ZINC000050047733 384102685 /nfs/dbraw/zinc/10/26/85/384102685.db2.gz YNSBYPUXWFAZCV-UHFFFAOYSA-N 1 2 239.340 1.884 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1cccc[nH+]1 ZINC000050087752 384107424 /nfs/dbraw/zinc/10/74/24/384107424.db2.gz JPEQHQURNWNJSX-VIFPVBQESA-N 1 2 208.261 1.327 20 0 BDADLO Cc1cc(NC[C@@H](CO)C2CC2)nc(C(C)C)[nH+]1 ZINC000357812151 384111322 /nfs/dbraw/zinc/11/13/22/384111322.db2.gz RDZLWVDOMKPKDW-LBPRGKRZSA-N 1 2 249.358 1.761 20 0 BDADLO CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082274914 384092805 /nfs/dbraw/zinc/09/28/05/384092805.db2.gz GZRJEHOQOFKEGE-JTQLQIEISA-N 1 2 207.277 1.457 20 0 BDADLO CC(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000082275833 384093364 /nfs/dbraw/zinc/09/33/64/384093364.db2.gz JSDPSKSCNTXGLD-NSHDSACASA-N 1 2 221.304 1.703 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000116325555 384128537 /nfs/dbraw/zinc/12/85/37/384128537.db2.gz BMGDEBPWIWIXIR-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000116325555 384128540 /nfs/dbraw/zinc/12/85/40/384128540.db2.gz BMGDEBPWIWIXIR-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000560461595 384149216 /nfs/dbraw/zinc/14/92/16/384149216.db2.gz VKAOVYZWQCGHTD-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000560461595 384149218 /nfs/dbraw/zinc/14/92/18/384149218.db2.gz VKAOVYZWQCGHTD-UHFFFAOYSA-N 1 2 237.303 1.120 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891666 384150760 /nfs/dbraw/zinc/15/07/60/384150760.db2.gz SYWBUPJZNJJTFC-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891666 384150767 /nfs/dbraw/zinc/15/07/67/384150767.db2.gz SYWBUPJZNJJTFC-MRVPVSSYSA-N 1 2 222.263 1.058 20 0 BDADLO O=C1NCC[C@@H]1[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891373 384151366 /nfs/dbraw/zinc/15/13/66/384151366.db2.gz IXWHXXBYCPMVMP-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO O=C1NCC[C@@H]1[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891373 384151372 /nfs/dbraw/zinc/15/13/72/384151372.db2.gz IXWHXXBYCPMVMP-LBPRGKRZSA-N 1 2 234.274 1.072 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000092617072 384151816 /nfs/dbraw/zinc/15/18/16/384151816.db2.gz ZPZNLYXFRQATNQ-LBPRGKRZSA-N 1 2 246.314 1.585 20 0 BDADLO O=C(NC1CC=CC1)N1CCn2c[nH+]cc2C1 ZINC000642695467 384158278 /nfs/dbraw/zinc/15/82/78/384158278.db2.gz RYHIGVPAMAVVJE-UHFFFAOYSA-N 1 2 232.287 1.127 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2CCCO)o1 ZINC000116895595 384157487 /nfs/dbraw/zinc/15/74/87/384157487.db2.gz RWJHECZXWZGKPN-LLVKDONJSA-N 1 2 225.288 1.344 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2CCCO)o1 ZINC000116895595 384157490 /nfs/dbraw/zinc/15/74/90/384157490.db2.gz RWJHECZXWZGKPN-LLVKDONJSA-N 1 2 225.288 1.344 20 0 BDADLO COC(=O)C(C)(C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050268694 384173170 /nfs/dbraw/zinc/17/31/70/384173170.db2.gz UUCGVKGWHRMJRB-VIFPVBQESA-N 1 2 213.277 1.220 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC000628117677 384176044 /nfs/dbraw/zinc/17/60/44/384176044.db2.gz QZBVCNIHQVNNML-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628117677 384176048 /nfs/dbraw/zinc/17/60/48/384176048.db2.gz QZBVCNIHQVNNML-NSHDSACASA-N 1 2 223.320 1.719 20 0 BDADLO COC(=O)CCC[N@H+](C)Cc1nccs1 ZINC000093097834 384162383 /nfs/dbraw/zinc/16/23/83/384162383.db2.gz BSPUIMNLWBDHHQ-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO COC(=O)CCC[N@@H+](C)Cc1nccs1 ZINC000093097834 384162394 /nfs/dbraw/zinc/16/23/94/384162394.db2.gz BSPUIMNLWBDHHQ-UHFFFAOYSA-N 1 2 228.317 1.528 20 0 BDADLO CC[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H](C)O ZINC000642913873 384180455 /nfs/dbraw/zinc/18/04/55/384180455.db2.gz BAPKLWMAWPQJTG-MWLCHTKSSA-N 1 2 247.298 1.680 20 0 BDADLO CS(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000081569173 384186413 /nfs/dbraw/zinc/18/64/13/384186413.db2.gz CXZOOUBOYSHZBO-UHFFFAOYSA-N 1 2 237.284 1.244 20 0 BDADLO Cn1nnc(C[NH2+][C@@H]2CCCc3sccc32)n1 ZINC000236149062 384193056 /nfs/dbraw/zinc/19/30/56/384193056.db2.gz KEJRSUSFOHEJAS-SECBINFHSA-N 1 2 249.343 1.439 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000093055550 384207915 /nfs/dbraw/zinc/20/79/15/384207915.db2.gz RJKFJZMWUCTKDC-LLVKDONJSA-N 1 2 238.356 1.705 20 0 BDADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000093055550 384207922 /nfs/dbraw/zinc/20/79/22/384207922.db2.gz RJKFJZMWUCTKDC-LLVKDONJSA-N 1 2 238.356 1.705 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132417868 384230657 /nfs/dbraw/zinc/23/06/57/384230657.db2.gz MQENTGWLZBJJAZ-LBPRGKRZSA-N 1 2 249.358 1.770 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132417868 384230661 /nfs/dbraw/zinc/23/06/61/384230661.db2.gz MQENTGWLZBJJAZ-LBPRGKRZSA-N 1 2 249.358 1.770 20 0 BDADLO O=C([C@H]1CCCS1)N1CCn2cc[nH+]c2C1 ZINC000336609460 384233985 /nfs/dbraw/zinc/23/39/85/384233985.db2.gz OFMOPLNYVWKBOG-SECBINFHSA-N 1 2 237.328 1.121 20 0 BDADLO Cc1nc(N2CCC[C@H]2c2nncn2C)cc[nH+]1 ZINC000072357338 384214154 /nfs/dbraw/zinc/21/41/54/384214154.db2.gz MVOVNWHUXYJBMW-JTQLQIEISA-N 1 2 244.302 1.255 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2ncccc2C)CCO1 ZINC000093176078 384220768 /nfs/dbraw/zinc/22/07/68/384220768.db2.gz RZEPNQVRBOOXQD-LBPRGKRZSA-N 1 2 236.315 1.237 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2ncccc2C)CCO1 ZINC000093176078 384220774 /nfs/dbraw/zinc/22/07/74/384220774.db2.gz RZEPNQVRBOOXQD-LBPRGKRZSA-N 1 2 236.315 1.237 20 0 BDADLO CCS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000334680536 384224092 /nfs/dbraw/zinc/22/40/92/384224092.db2.gz CZXIYJPCHZSMDX-UHFFFAOYSA-N 1 2 228.317 1.138 20 0 BDADLO CCC[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000132366042 384226936 /nfs/dbraw/zinc/22/69/36/384226936.db2.gz NKUNPJFQPNQSPZ-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO CCc1cc(N2CC[C@@H]2COC)nc(C)[nH+]1 ZINC000292662303 384250208 /nfs/dbraw/zinc/25/02/08/384250208.db2.gz AJCHMXIWFLFXTP-LLVKDONJSA-N 1 2 221.304 1.573 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000560612390 384253967 /nfs/dbraw/zinc/25/39/67/384253967.db2.gz OQYZISNXXRNNMF-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO COC1(C)C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000560612390 384253970 /nfs/dbraw/zinc/25/39/70/384253970.db2.gz OQYZISNXXRNNMF-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccsc1 ZINC000093771843 384269064 /nfs/dbraw/zinc/26/90/64/384269064.db2.gz XJAWZOGQAVLOKW-LLVKDONJSA-N 1 2 238.356 1.849 20 0 BDADLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccsc1 ZINC000093771843 384269067 /nfs/dbraw/zinc/26/90/67/384269067.db2.gz XJAWZOGQAVLOKW-LLVKDONJSA-N 1 2 238.356 1.849 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)[C@@H](C)CO)C(=O)OC ZINC000300007795 384275386 /nfs/dbraw/zinc/27/53/86/384275386.db2.gz GHSQBVCQZFWKFW-AXFHLTTASA-N 1 2 231.336 1.325 20 0 BDADLO CC[C@H](NC(=O)c1oc(C)nc1C)c1[nH]cc[nH+]1 ZINC000140467687 384285435 /nfs/dbraw/zinc/28/54/35/384285435.db2.gz CNYYQVOACIVZOZ-VIFPVBQESA-N 1 2 248.286 1.896 20 0 BDADLO Cc1cc(N)nc(SCCOCC2CC2)[nH+]1 ZINC000173984077 384291811 /nfs/dbraw/zinc/29/18/11/384291811.db2.gz NGVMKOMJWURSSE-UHFFFAOYSA-N 1 2 239.344 1.886 20 0 BDADLO Cc1ccoc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000120690660 384373814 /nfs/dbraw/zinc/37/38/14/384373814.db2.gz ACPVRTORICQGIL-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO Cc1ccoc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000120690660 384373818 /nfs/dbraw/zinc/37/38/18/384373818.db2.gz ACPVRTORICQGIL-UHFFFAOYSA-N 1 2 238.331 1.935 20 0 BDADLO CCc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000305740146 384346915 /nfs/dbraw/zinc/34/69/15/384346915.db2.gz CKVFNLDIWKFFJR-ZWNOBZJWSA-N 1 2 239.315 1.424 20 0 BDADLO CCc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)o1 ZINC000305740146 384346918 /nfs/dbraw/zinc/34/69/18/384346918.db2.gz CKVFNLDIWKFFJR-ZWNOBZJWSA-N 1 2 239.315 1.424 20 0 BDADLO CCN(CC)C(=O)CSCc1[nH+]ccn1C ZINC000120417317 384351015 /nfs/dbraw/zinc/35/10/15/384351015.db2.gz JBZFDMMRHHAPHD-UHFFFAOYSA-N 1 2 241.360 1.522 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)NC1CC1 ZINC000134378328 384351647 /nfs/dbraw/zinc/35/16/47/384351647.db2.gz WWIHDZDEWKOJJQ-UHFFFAOYSA-N 1 2 222.292 1.077 20 0 BDADLO CC[C@H](C)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000304533015 384370716 /nfs/dbraw/zinc/37/07/16/384370716.db2.gz UOUNCNCUSMEXRY-JGVFFNPUSA-N 1 2 223.324 1.999 20 0 BDADLO CC[C@H](C)C[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000304533015 384370720 /nfs/dbraw/zinc/37/07/20/384370720.db2.gz UOUNCNCUSMEXRY-JGVFFNPUSA-N 1 2 223.324 1.999 20 0 BDADLO CO[C@H](C)C[N@H+](C)CC(=O)c1ccccc1F ZINC000304553706 384396737 /nfs/dbraw/zinc/39/67/37/384396737.db2.gz FURWPDLXOBUZJB-SNVBAGLBSA-N 1 2 239.290 1.975 20 0 BDADLO CO[C@H](C)C[N@@H+](C)CC(=O)c1ccccc1F ZINC000304553706 384396743 /nfs/dbraw/zinc/39/67/43/384396743.db2.gz FURWPDLXOBUZJB-SNVBAGLBSA-N 1 2 239.290 1.975 20 0 BDADLO CC[C@@H]([NH2+]CCOc1ccccc1)C(=O)OC ZINC000134973009 384405249 /nfs/dbraw/zinc/40/52/49/384405249.db2.gz KVNZAMDHPUIBQH-GFCCVEGCSA-N 1 2 237.299 1.607 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275775183 384416209 /nfs/dbraw/zinc/41/62/09/384416209.db2.gz HQLXTLWBZNOTBV-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO Nc1cc(CSc2ncco2)cc[nH+]1 ZINC000236349592 384390647 /nfs/dbraw/zinc/39/06/47/384390647.db2.gz GVYMOVAIQADAJJ-UHFFFAOYSA-N 1 2 207.258 1.944 20 0 BDADLO CCC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121831313 384441668 /nfs/dbraw/zinc/44/16/68/384441668.db2.gz XZDNMLVTVAAUBX-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CCC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000121831313 384441669 /nfs/dbraw/zinc/44/16/69/384441669.db2.gz XZDNMLVTVAAUBX-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC1(C)C[NH+](CC(=O)NCc2ccco2)C1 ZINC000561058657 384468916 /nfs/dbraw/zinc/46/89/16/384468916.db2.gz PSBTWWYKLLNFOA-UHFFFAOYSA-N 1 2 222.288 1.238 20 0 BDADLO Cc1ccc(F)cc1C[NH+]1CC(C)(O)C1 ZINC000163921383 384471759 /nfs/dbraw/zinc/47/17/59/384471759.db2.gz UUCKHAUKUVYMEX-UHFFFAOYSA-N 1 2 209.264 1.701 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@H]1CCCO1 ZINC000556756541 384474777 /nfs/dbraw/zinc/47/47/77/384474777.db2.gz LSIKKYFIMKAENI-MRVPVSSYSA-N 1 2 233.275 1.047 20 0 BDADLO CC(C)(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096785683 384477673 /nfs/dbraw/zinc/47/76/73/384477673.db2.gz IJHQTGICVCUCSN-SECBINFHSA-N 1 2 221.304 1.360 20 0 BDADLO CC(C)(C)OC(=O)C1C[NH+](Cc2cnccn2)C1 ZINC000556786809 384481489 /nfs/dbraw/zinc/48/14/89/384481489.db2.gz IEQUDWJZYURDON-UHFFFAOYSA-N 1 2 249.314 1.250 20 0 BDADLO CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000079601236 384507127 /nfs/dbraw/zinc/50/71/27/384507127.db2.gz XPFSGZKGPKMYMA-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)c(O)c1 ZINC000334411483 384487881 /nfs/dbraw/zinc/48/78/81/384487881.db2.gz UISCOBARXFTQLL-UHFFFAOYSA-N 1 2 245.282 1.662 20 0 BDADLO CCC1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000565608813 384524851 /nfs/dbraw/zinc/52/48/51/384524851.db2.gz RBRBPSJXOCLLPF-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO CCC1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000565608813 384524857 /nfs/dbraw/zinc/52/48/57/384524857.db2.gz RBRBPSJXOCLLPF-VIFPVBQESA-N 1 2 221.304 1.457 20 0 BDADLO CC(C)c1nc(N[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000150925665 384526021 /nfs/dbraw/zinc/52/60/21/384526021.db2.gz BITVFQBUEXVSNP-VIFPVBQESA-N 1 2 234.303 1.243 20 0 BDADLO CC(C)c1nc(N[C@@H]2CC23CC3)cc[nH+]1 ZINC000335104029 384549319 /nfs/dbraw/zinc/54/93/19/384549319.db2.gz HRQRZCLYPKBRBW-SECBINFHSA-N 1 2 203.289 1.986 20 0 BDADLO COC(=O)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000184002992 384550195 /nfs/dbraw/zinc/55/01/95/384550195.db2.gz SYKMQZOSBXQNCP-MRVPVSSYSA-N 1 2 228.317 1.351 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000184002992 384550201 /nfs/dbraw/zinc/55/02/01/384550201.db2.gz SYKMQZOSBXQNCP-MRVPVSSYSA-N 1 2 228.317 1.351 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)COCC)C(=O)OC ZINC000336744907 384556515 /nfs/dbraw/zinc/55/65/15/384556515.db2.gz AAKAJPLHHJXWLW-VHSXEESVSA-N 1 2 217.309 1.343 20 0 BDADLO c1[nH]cc(CCc2nc([C@H]3CCCOC3)no2)[nH+]1 ZINC000643845640 384538893 /nfs/dbraw/zinc/53/88/93/384538893.db2.gz CALFBZQXBFJUAT-VIFPVBQESA-N 1 2 248.286 1.472 20 0 BDADLO c1[nH]c(CCc2nc([C@H]3CCCOC3)no2)c[nH+]1 ZINC000643845640 384538900 /nfs/dbraw/zinc/53/89/00/384538900.db2.gz CALFBZQXBFJUAT-VIFPVBQESA-N 1 2 248.286 1.472 20 0 BDADLO COC[C@H]([NH2+]Cc1ccnn1C)c1ccc(C)o1 ZINC000080238813 384540228 /nfs/dbraw/zinc/54/02/28/384540228.db2.gz PFBAFUPALHXYFQ-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CC12CC2 ZINC000335102709 384540804 /nfs/dbraw/zinc/54/08/04/384540804.db2.gz IDSSXPXYUMJRPV-NSHDSACASA-N 1 2 241.294 1.546 20 0 BDADLO CC(C)n1cccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000080588143 384569457 /nfs/dbraw/zinc/56/94/57/384569457.db2.gz XFBPOLAWMGGPGI-UHFFFAOYSA-N 1 2 232.287 1.722 20 0 BDADLO Cc1cc[nH+]c(NCCCO)c1Br ZINC000235790579 384575157 /nfs/dbraw/zinc/57/51/57/384575157.db2.gz SLULVGTYPBETAF-UHFFFAOYSA-N 1 2 245.120 1.947 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)c1ccccc1 ZINC000049947646 384578142 /nfs/dbraw/zinc/57/81/42/384578142.db2.gz FUAWQUGHHATVDA-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H](O)c1ccccc1 ZINC000049947646 384578152 /nfs/dbraw/zinc/57/81/52/384578152.db2.gz FUAWQUGHHATVDA-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CO[C@H](C)CN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000479103476 533077653 /nfs/dbraw/zinc/07/76/53/533077653.db2.gz IUMRTVFQIYSHKJ-SNVBAGLBSA-N 1 2 237.303 1.311 20 0 BDADLO COC(=O)[C@@H](C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000050087773 384588865 /nfs/dbraw/zinc/58/88/65/384588865.db2.gz ZJKZHUDVCDCVLB-VIFPVBQESA-N 1 2 247.298 1.808 20 0 BDADLO C[C@H](CC(=O)Nc1cc[nH+]cc1O)n1cccc1 ZINC000531118526 384614388 /nfs/dbraw/zinc/61/43/88/384614388.db2.gz JFKPCPVWBKOYSW-SNVBAGLBSA-N 1 2 245.282 1.600 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)C[C@@H]1CC=CCC1 ZINC000569622670 384622176 /nfs/dbraw/zinc/62/21/76/384622176.db2.gz HEPNORFZHFAWEW-SNVBAGLBSA-N 1 2 248.330 1.860 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)C[C@@H]1CC=CCC1 ZINC000569622670 384622184 /nfs/dbraw/zinc/62/21/84/384622184.db2.gz HEPNORFZHFAWEW-SNVBAGLBSA-N 1 2 248.330 1.860 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H](O)CC1 ZINC000568249411 384624568 /nfs/dbraw/zinc/62/45/68/384624568.db2.gz PUYMFKSQYWDTKH-LLVKDONJSA-N 1 2 221.304 1.445 20 0 BDADLO COC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368327683 384671035 /nfs/dbraw/zinc/67/10/35/384671035.db2.gz GNXZQMATIMKXNG-QWHCGFSZSA-N 1 2 247.294 1.446 20 0 BDADLO COC(=O)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000368327683 384671046 /nfs/dbraw/zinc/67/10/46/384671046.db2.gz GNXZQMATIMKXNG-QWHCGFSZSA-N 1 2 247.294 1.446 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000043627872 384649483 /nfs/dbraw/zinc/64/94/83/384649483.db2.gz OFMSMWIPZPUCPD-RKDXNWHRSA-N 1 2 227.329 1.830 20 0 BDADLO COCc1nsc(NCc2[nH+]ccn2C)n1 ZINC000309835520 384655575 /nfs/dbraw/zinc/65/55/75/384655575.db2.gz AVXMYPLMEFTQEU-UHFFFAOYSA-N 1 2 239.304 1.030 20 0 BDADLO O=C(C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082275680 384656045 /nfs/dbraw/zinc/65/60/45/384656045.db2.gz WBFGXRXCAVTJNO-SNVBAGLBSA-N 1 2 219.288 1.526 20 0 BDADLO CCCSCC(=O)NCCc1[nH]cc[nH+]1 ZINC000171755254 384658247 /nfs/dbraw/zinc/65/82/47/384658247.db2.gz RIDLQAWYFKJAQL-UHFFFAOYSA-N 1 2 227.333 1.212 20 0 BDADLO O=C(c1ccco1)N1CCC(n2cc[nH+]c2)CC1 ZINC000082277789 384660743 /nfs/dbraw/zinc/66/07/43/384660743.db2.gz LCEZFYKGMTZFAP-UHFFFAOYSA-N 1 2 245.282 1.953 20 0 BDADLO Cc1csc(C[NH2+]Cc2cnc(C)nc2)n1 ZINC000309857122 384677033 /nfs/dbraw/zinc/67/70/33/384677033.db2.gz KZWZUMVIKDMCGT-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)o1 ZINC000124779159 384678938 /nfs/dbraw/zinc/67/89/38/384678938.db2.gz VWTVCFGJMGDNJM-GFCCVEGCSA-N 1 2 237.299 1.979 20 0 BDADLO CCc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)o1 ZINC000124779159 384678946 /nfs/dbraw/zinc/67/89/46/384678946.db2.gz VWTVCFGJMGDNJM-GFCCVEGCSA-N 1 2 237.299 1.979 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCCC(C)(F)F ZINC000357759309 384685081 /nfs/dbraw/zinc/68/50/81/384685081.db2.gz JGELKZQVGPCYDT-UHFFFAOYSA-N 1 2 241.245 1.821 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000049956427 384687456 /nfs/dbraw/zinc/68/74/56/384687456.db2.gz WYDCYQBPADBMMU-SECBINFHSA-N 1 2 225.263 1.819 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000049956427 384687465 /nfs/dbraw/zinc/68/74/65/384687465.db2.gz WYDCYQBPADBMMU-SECBINFHSA-N 1 2 225.263 1.819 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403485612 384701218 /nfs/dbraw/zinc/70/12/18/384701218.db2.gz UBZNSFQNWQGEQI-LPEHRKFASA-N 1 2 243.314 1.964 20 0 BDADLO CC[C@H](SC)C(=O)NCCn1cc[nH+]c1 ZINC000125223978 384704113 /nfs/dbraw/zinc/70/41/13/384704113.db2.gz DUSFGDICNLOSPZ-VIFPVBQESA-N 1 2 227.333 1.141 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[C@H]1C(C)C)CC2 ZINC000363704598 384718374 /nfs/dbraw/zinc/71/83/74/384718374.db2.gz VIZBXXKZDICEBD-NWDGAFQWSA-N 1 2 247.342 1.826 20 0 BDADLO CS(=O)(=O)C[C@@H]([NH2+]CCF)c1ccccc1 ZINC000309928628 384729828 /nfs/dbraw/zinc/72/98/28/384729828.db2.gz WUZTUARICIXIOX-LLVKDONJSA-N 1 2 245.319 1.331 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000259008439 384735367 /nfs/dbraw/zinc/73/53/67/384735367.db2.gz ZXVMHACCCONVDH-UHFFFAOYSA-N 1 2 213.227 1.986 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000259008439 384735374 /nfs/dbraw/zinc/73/53/74/384735374.db2.gz ZXVMHACCCONVDH-UHFFFAOYSA-N 1 2 213.227 1.986 20 0 BDADLO C[C@H](CCCO)Nc1cccc(-n2cc[nH+]c2)n1 ZINC000363721226 384736786 /nfs/dbraw/zinc/73/67/86/384736786.db2.gz JSYAYECQHLTVDQ-LLVKDONJSA-N 1 2 246.314 1.262 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2ccncc2)n1C ZINC000103556749 384779604 /nfs/dbraw/zinc/77/96/04/384779604.db2.gz UGIYMZNXQAQDSL-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2ccncc2)n1C ZINC000103556749 384779611 /nfs/dbraw/zinc/77/96/11/384779611.db2.gz UGIYMZNXQAQDSL-UHFFFAOYSA-N 1 2 245.330 1.193 20 0 BDADLO Cn1ncnc1SCCCn1cc[nH+]c1 ZINC000185713967 384761381 /nfs/dbraw/zinc/76/13/81/384761381.db2.gz JMNJEYAFJJYKSW-UHFFFAOYSA-N 1 2 223.305 1.194 20 0 BDADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NC(C)C)s1 ZINC000126087347 384768977 /nfs/dbraw/zinc/76/89/77/384768977.db2.gz URWSZYQZFANZCZ-VIFPVBQESA-N 1 2 241.360 1.627 20 0 BDADLO CC[C@H](CCO)CNc1cc[nH+]c(C)n1 ZINC000087370874 384772526 /nfs/dbraw/zinc/77/25/26/384772526.db2.gz LEULQZWDABRZMU-SNVBAGLBSA-N 1 2 209.293 1.606 20 0 BDADLO Cc1ccsc1C[NH2+]CC(F)(F)CO ZINC000183886454 384816614 /nfs/dbraw/zinc/81/66/14/384816614.db2.gz JBLRDYSIIZJSEZ-UHFFFAOYSA-N 1 2 221.272 1.774 20 0 BDADLO C[N@H+](CC(=O)NC1CC1)Cc1cccc(O)c1 ZINC000174597406 384817548 /nfs/dbraw/zinc/81/75/48/384817548.db2.gz YOCBJKRKSDKLHM-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO C[N@@H+](CC(=O)NC1CC1)Cc1cccc(O)c1 ZINC000174597406 384817556 /nfs/dbraw/zinc/81/75/56/384817556.db2.gz YOCBJKRKSDKLHM-UHFFFAOYSA-N 1 2 234.299 1.103 20 0 BDADLO Cn1cc(C[N@H+](C)Cc2cc(O)cc(F)c2)cn1 ZINC000186164064 384824959 /nfs/dbraw/zinc/82/49/59/384824959.db2.gz UPJPLGKCDCBPPG-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO Cn1cc(C[N@@H+](C)Cc2cc(O)cc(F)c2)cn1 ZINC000186164064 384824968 /nfs/dbraw/zinc/82/49/68/384824968.db2.gz UPJPLGKCDCBPPG-UHFFFAOYSA-N 1 2 249.289 1.897 20 0 BDADLO Cc1noc([C@H](C)[NH2+]CCOCC(F)F)n1 ZINC000336755566 384838158 /nfs/dbraw/zinc/83/81/58/384838158.db2.gz XRKYSGIPRUMNFF-LURJTMIESA-N 1 2 235.234 1.310 20 0 BDADLO Cc1nnc(NCc2[nH+]ccn2C)s1 ZINC000083584340 384783103 /nfs/dbraw/zinc/78/31/03/384783103.db2.gz WFTJGZASBVWOLL-UHFFFAOYSA-N 1 2 209.278 1.192 20 0 BDADLO CCS(=O)(=O)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000301292832 384872817 /nfs/dbraw/zinc/87/28/17/384872817.db2.gz QZJUXWINRRUAAI-VIFPVBQESA-N 1 2 243.332 1.020 20 0 BDADLO O[C@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000644421406 384874857 /nfs/dbraw/zinc/87/48/57/384874857.db2.gz IJMPAAHDRJEXQR-IONNQARKSA-N 1 2 249.236 1.345 20 0 BDADLO COc1ccc(F)c(NCc2[nH+]ccn2C)n1 ZINC000516877681 384875400 /nfs/dbraw/zinc/87/54/00/384875400.db2.gz JRBSDWBUHUQHBN-UHFFFAOYSA-N 1 2 236.250 1.575 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+](C)CC1(CO)CC1 ZINC000186803498 384883727 /nfs/dbraw/zinc/88/37/27/384883727.db2.gz QITSSZWQTWQFEY-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+](C)CC1(CO)CC1 ZINC000186803498 384883731 /nfs/dbraw/zinc/88/37/31/384883731.db2.gz QITSSZWQTWQFEY-UHFFFAOYSA-N 1 2 243.738 1.278 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2)c(C)c1 ZINC000127363373 384887909 /nfs/dbraw/zinc/88/79/09/384887909.db2.gz DBJVWVZTYCMWLB-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(C)c1 ZINC000127363373 384887918 /nfs/dbraw/zinc/88/79/18/384887918.db2.gz DBJVWVZTYCMWLB-UHFFFAOYSA-N 1 2 232.327 1.577 20 0 BDADLO Cn1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000126926629 384841112 /nfs/dbraw/zinc/84/11/12/384841112.db2.gz MMGCMIMUUMRZLP-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO Cn1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000126926629 384841116 /nfs/dbraw/zinc/84/11/16/384841116.db2.gz MMGCMIMUUMRZLP-UHFFFAOYSA-N 1 2 238.331 1.799 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCSC1 ZINC000449660087 384841416 /nfs/dbraw/zinc/84/14/16/384841416.db2.gz DZPXDQJJJLKTHS-IUCAKERBSA-N 1 2 217.334 1.422 20 0 BDADLO C[N@H+](CCCc1ccccc1)Cc1nnc[nH]1 ZINC000174823342 384842531 /nfs/dbraw/zinc/84/25/31/384842531.db2.gz PRTQATTYEGQANU-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO C[N@@H+](CCCc1ccccc1)Cc1nnc[nH]1 ZINC000174823342 384842538 /nfs/dbraw/zinc/84/25/38/384842538.db2.gz PRTQATTYEGQANU-UHFFFAOYSA-N 1 2 230.315 1.869 20 0 BDADLO Cc1cnn(CC[NH2+][C@@H](C)c2csnn2)c1 ZINC000398219443 384849780 /nfs/dbraw/zinc/84/97/80/384849780.db2.gz BRSQQCDCYRNRCB-VIFPVBQESA-N 1 2 237.332 1.394 20 0 BDADLO CC(C)[C@@H](CO)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000156367484 384855484 /nfs/dbraw/zinc/85/54/84/384855484.db2.gz PTTZGBHBZUBVHU-SECBINFHSA-N 1 2 241.335 1.474 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403705906 384855824 /nfs/dbraw/zinc/85/58/24/384855824.db2.gz DNVXXEABJRAGIY-OPRDCNLKSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403705906 384855828 /nfs/dbraw/zinc/85/58/28/384855828.db2.gz DNVXXEABJRAGIY-OPRDCNLKSA-N 1 2 219.288 1.462 20 0 BDADLO c1ncn(CCNc2ccc3ccccc3[nH+]2)n1 ZINC000362976706 384862186 /nfs/dbraw/zinc/86/21/86/384862186.db2.gz LMJWIMXAQATYDZ-UHFFFAOYSA-N 1 2 239.282 1.360 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@@H]1CCCO1 ZINC000175070285 384866680 /nfs/dbraw/zinc/86/66/80/384866680.db2.gz GBXBAKFNBSMBNK-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@@H]1CCCO1 ZINC000175070285 384866688 /nfs/dbraw/zinc/86/66/88/384866688.db2.gz GBXBAKFNBSMBNK-VIFPVBQESA-N 1 2 212.318 1.754 20 0 BDADLO O=C1OCC[C@@]12CCC[N@H+]2C/C=C/Cl ZINC000186677051 384868397 /nfs/dbraw/zinc/86/83/97/384868397.db2.gz CNPCDXDZKFCLLX-FWYAXHSGSA-N 1 2 215.680 1.520 20 0 BDADLO O=C1OCC[C@@]12CCC[N@@H+]2C/C=C/Cl ZINC000186677051 384868404 /nfs/dbraw/zinc/86/84/04/384868404.db2.gz CNPCDXDZKFCLLX-FWYAXHSGSA-N 1 2 215.680 1.520 20 0 BDADLO Cn1cc[nH+]c1CNCc1cn2ccsc2n1 ZINC000057625199 384957758 /nfs/dbraw/zinc/95/77/58/384957758.db2.gz BTNWEHUHNFICNQ-UHFFFAOYSA-N 1 2 247.327 1.419 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1cn2ccsc2n1 ZINC000057625199 384957770 /nfs/dbraw/zinc/95/77/70/384957770.db2.gz BTNWEHUHNFICNQ-UHFFFAOYSA-N 1 2 247.327 1.419 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000255603669 384893860 /nfs/dbraw/zinc/89/38/60/384893860.db2.gz ZZGZCKUNYOMCBQ-OTDNITJGSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000255603669 384893865 /nfs/dbraw/zinc/89/38/65/384893865.db2.gz ZZGZCKUNYOMCBQ-OTDNITJGSA-N 1 2 248.301 1.659 20 0 BDADLO COC[C@H](C)[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360183399 384898608 /nfs/dbraw/zinc/89/86/08/384898608.db2.gz KRBGFPOUVJRLRN-VHSXEESVSA-N 1 2 239.319 1.287 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403296723 384899472 /nfs/dbraw/zinc/89/94/72/384899472.db2.gz PUBJNVYZRBLOEQ-BBBLOLIVSA-N 1 2 248.330 1.337 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403296723 384899479 /nfs/dbraw/zinc/89/94/79/384899479.db2.gz PUBJNVYZRBLOEQ-BBBLOLIVSA-N 1 2 248.330 1.337 20 0 BDADLO CC(C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000175480662 384913308 /nfs/dbraw/zinc/91/33/08/384913308.db2.gz VLAVNIZUHRIJCG-UHFFFAOYSA-N 1 2 244.298 1.748 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000177225165 384917968 /nfs/dbraw/zinc/91/79/68/384917968.db2.gz XQKLMSYZHNRRQT-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000177225165 384917973 /nfs/dbraw/zinc/91/79/73/384917973.db2.gz XQKLMSYZHNRRQT-QMMMGPOBSA-N 1 2 209.293 1.998 20 0 BDADLO Cn1c[nH+]cc1COc1ccccc1CO ZINC000085191598 384926001 /nfs/dbraw/zinc/92/60/01/384926001.db2.gz CCCKEBHTYHVHEE-UHFFFAOYSA-N 1 2 218.256 1.491 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000644518299 384932584 /nfs/dbraw/zinc/93/25/84/384932584.db2.gz VAOXPWBVHDYESM-QMMMGPOBSA-N 1 2 237.225 1.121 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000127680715 384935205 /nfs/dbraw/zinc/93/52/05/384935205.db2.gz PEFRKGQERFHDNO-NSHDSACASA-N 1 2 220.272 1.392 20 0 BDADLO CC(C)n1cc(C[NH2+][C@H](C)c2cn[nH]c2)nn1 ZINC000310289259 384945626 /nfs/dbraw/zinc/94/56/26/384945626.db2.gz JZSSQGGPNMMNEK-SECBINFHSA-N 1 2 234.307 1.433 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2)cc1C ZINC000238483457 384998790 /nfs/dbraw/zinc/99/87/90/384998790.db2.gz IVTZSFVUMAMWGQ-UHFFFAOYSA-N 1 2 218.300 1.235 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2)cc1C ZINC000238483457 384998798 /nfs/dbraw/zinc/99/87/98/384998798.db2.gz IVTZSFVUMAMWGQ-UHFFFAOYSA-N 1 2 218.300 1.235 20 0 BDADLO COC[C@@H](Nc1cc(C)[nH+]cn1)C1CC1 ZINC000129495970 384999055 /nfs/dbraw/zinc/99/90/55/384999055.db2.gz KZOXPKRKDGCHGK-SNVBAGLBSA-N 1 2 207.277 1.622 20 0 BDADLO CO[C@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000518382723 385022702 /nfs/dbraw/zinc/02/27/02/385022702.db2.gz BBZUHRMCVCXNOQ-GHMZBOCLSA-N 1 2 239.319 1.375 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cc[nH]n2)C[C@H]1C ZINC000188107098 385013894 /nfs/dbraw/zinc/01/38/94/385013894.db2.gz QDUAPSUWVJQSJM-KOLCDFICSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@H]1C ZINC000188107098 385013903 /nfs/dbraw/zinc/01/39/03/385013903.db2.gz QDUAPSUWVJQSJM-KOLCDFICSA-N 1 2 237.303 1.041 20 0 BDADLO O=C(C[NH2+]CC1CC1)NOCc1ccccc1 ZINC000086437117 385017847 /nfs/dbraw/zinc/01/78/47/385017847.db2.gz VOITVKOYYIZGAV-UHFFFAOYSA-N 1 2 234.299 1.234 20 0 BDADLO CO[C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000518382726 385023367 /nfs/dbraw/zinc/02/33/67/385023367.db2.gz BBZUHRMCVCXNOQ-QWRGUYRKSA-N 1 2 239.319 1.375 20 0 BDADLO Cn1nccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000334150127 385054650 /nfs/dbraw/zinc/05/46/50/385054650.db2.gz IMNYIKJUOIKRJQ-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1nccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000334150127 385054656 /nfs/dbraw/zinc/05/46/56/385054656.db2.gz IMNYIKJUOIKRJQ-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000188494391 385058611 /nfs/dbraw/zinc/05/86/11/385058611.db2.gz VUKOGMNHTVZLGL-IUCAKERBSA-N 1 2 241.360 1.661 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccco1 ZINC000131091950 385075154 /nfs/dbraw/zinc/07/51/54/385075154.db2.gz YDSPSYYCHBVHKS-LLVKDONJSA-N 1 2 223.272 1.807 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccco1 ZINC000131091950 385075164 /nfs/dbraw/zinc/07/51/64/385075164.db2.gz YDSPSYYCHBVHKS-LLVKDONJSA-N 1 2 223.272 1.807 20 0 BDADLO CCOCCSc1nc(N)cc(C)[nH+]1 ZINC000106004077 385077575 /nfs/dbraw/zinc/07/75/75/385077575.db2.gz FJYYXPANCXBPCS-UHFFFAOYSA-N 1 2 213.306 1.496 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000557585458 385026347 /nfs/dbraw/zinc/02/63/47/385026347.db2.gz KXDPGXYELAMPTG-SCZZXKLOSA-N 1 2 239.344 1.210 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000557585458 385026353 /nfs/dbraw/zinc/02/63/53/385026353.db2.gz KXDPGXYELAMPTG-SCZZXKLOSA-N 1 2 239.344 1.210 20 0 BDADLO CCNc1nc(NCC)c(Cl)c[nH+]1 ZINC000086558726 385026892 /nfs/dbraw/zinc/02/68/92/385026892.db2.gz IPFQRDHUPYQLJW-UHFFFAOYSA-N 1 2 200.673 1.994 20 0 BDADLO Cn1c2ccccc2[nH+]c1NC1(CO)CCC1 ZINC000128395855 385029299 /nfs/dbraw/zinc/02/92/99/385029299.db2.gz FLGLJCHBDAJDFH-UHFFFAOYSA-N 1 2 231.299 1.900 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)OCC ZINC000312989245 385046139 /nfs/dbraw/zinc/04/61/39/385046139.db2.gz KQJHRNAAIHUGGB-WDEREUQCSA-N 1 2 243.347 1.733 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CC[C@H](O)C2)c1Cl ZINC000236392263 385118506 /nfs/dbraw/zinc/11/85/06/385118506.db2.gz DHXMRFVPIPQUPC-RQJHMYQMSA-N 1 2 242.710 1.285 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CC[C@H](O)C2)c1Cl ZINC000236392263 385118515 /nfs/dbraw/zinc/11/85/15/385118515.db2.gz DHXMRFVPIPQUPC-RQJHMYQMSA-N 1 2 242.710 1.285 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C1CC1 ZINC000310568570 385119838 /nfs/dbraw/zinc/11/98/38/385119838.db2.gz YMOVKBCLHOGDHD-WCQYABFASA-N 1 2 241.331 1.343 20 0 BDADLO Cc1ccc(NC(=O)N2CC[C@H](CO)C2)c(C)[nH+]1 ZINC000176717037 385142050 /nfs/dbraw/zinc/14/20/50/385142050.db2.gz HPQLCSNXULMYPQ-NSHDSACASA-N 1 2 249.314 1.545 20 0 BDADLO CCCc1nc(C[N@H+](C)[C@@H](CC)CO)no1 ZINC000345838106 385135342 /nfs/dbraw/zinc/13/53/42/385135342.db2.gz PHJDVDCYGMYTGX-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](C)[C@@H](CC)CO)no1 ZINC000345838106 385135347 /nfs/dbraw/zinc/13/53/47/385135347.db2.gz PHJDVDCYGMYTGX-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCC(CC)[S@](=O)Cc1[nH+]ccn1C ZINC000129299204 385137136 /nfs/dbraw/zinc/13/71/36/385137136.db2.gz XKZTYSCWNNNSTD-AWEZNQCLSA-N 1 2 214.334 1.857 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000151167637 385088923 /nfs/dbraw/zinc/08/89/23/385088923.db2.gz KXYFRNYNCBQMHC-LLVKDONJSA-N 1 2 249.310 1.658 20 0 BDADLO COC(=O)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000151167637 385088930 /nfs/dbraw/zinc/08/89/30/385088930.db2.gz KXYFRNYNCBQMHC-LLVKDONJSA-N 1 2 249.310 1.658 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2nc(C)no2)CC[C@@H]1C ZINC000407948849 385094730 /nfs/dbraw/zinc/09/47/30/385094730.db2.gz WQWOASVERMAPHS-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2nc(C)no2)CC[C@@H]1C ZINC000407948849 385094735 /nfs/dbraw/zinc/09/47/35/385094735.db2.gz WQWOASVERMAPHS-WCBMZHEXSA-N 1 2 225.292 1.235 20 0 BDADLO O=C1OCC[C@@H]2CC[N@@H+](Cc3cccc(F)c3)[C@@H]12 ZINC000360334484 385097511 /nfs/dbraw/zinc/09/75/11/385097511.db2.gz KKJRUMAZRDWQAR-WCQYABFASA-N 1 2 249.285 1.963 20 0 BDADLO O=C1OCC[C@@H]2CC[N@H+](Cc3cccc(F)c3)[C@@H]12 ZINC000360334484 385097521 /nfs/dbraw/zinc/09/75/21/385097521.db2.gz KKJRUMAZRDWQAR-WCQYABFASA-N 1 2 249.285 1.963 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2c(C)noc2C)[nH]1 ZINC000644681845 385097730 /nfs/dbraw/zinc/09/77/30/385097730.db2.gz GNGOIGKEELWXDK-ZCFIWIBFSA-N 1 2 235.291 1.569 20 0 BDADLO C[C@@H](CF)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289375875 385182401 /nfs/dbraw/zinc/18/24/01/385182401.db2.gz BKABPJXDFSIRHL-ZETCQYMHSA-N 1 2 246.307 1.636 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000189827144 385188593 /nfs/dbraw/zinc/18/85/93/385188593.db2.gz ZOSQYRSAICACBS-GHMZBOCLSA-N 1 2 249.314 1.673 20 0 BDADLO CC(C)[C@H](Nc1cc[nH+]c(C2CC2)n1)C(N)=O ZINC000152535205 385191582 /nfs/dbraw/zinc/19/15/82/385191582.db2.gz KSHHUMPXKHJHPW-JTQLQIEISA-N 1 2 234.303 1.276 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nnnn1C ZINC000189840485 385192540 /nfs/dbraw/zinc/19/25/40/385192540.db2.gz CQUNCHLNOLAMFA-DTWKUNHWSA-N 1 2 247.302 1.328 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000359265994 385143034 /nfs/dbraw/zinc/14/30/34/385143034.db2.gz GBTOYUAPPLGIGH-HLTSFMKQSA-N 1 2 243.257 1.289 20 0 BDADLO CC[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152159144 385157300 /nfs/dbraw/zinc/15/73/00/385157300.db2.gz YVLLIUDBIKWNEY-SNVBAGLBSA-N 1 2 237.303 1.591 20 0 BDADLO Cc1cc(NC[C@H](CO)CC2CCCC2)nc[nH+]1 ZINC000359286068 385163037 /nfs/dbraw/zinc/16/30/37/385163037.db2.gz HHRNCLUVLQWFPX-CYBMUJFWSA-N 1 2 249.358 1.808 20 0 BDADLO Cn1ccnc1C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000062255229 385168156 /nfs/dbraw/zinc/16/81/56/385168156.db2.gz IIVALQHOPUOCJG-CYBMUJFWSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1ccnc1C[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000062255229 385168160 /nfs/dbraw/zinc/16/81/60/385168160.db2.gz IIVALQHOPUOCJG-CYBMUJFWSA-N 1 2 245.326 1.586 20 0 BDADLO COc1cc(CN(C)Cc2[nH]cc[nH+]2)ccc1O ZINC000177056404 385173116 /nfs/dbraw/zinc/17/31/16/385173116.db2.gz QPBCAOCDYMZSIB-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1cc(C[N@H+](C)Cc2ncc[nH]2)ccc1O ZINC000177056404 385173123 /nfs/dbraw/zinc/17/31/23/385173123.db2.gz QPBCAOCDYMZSIB-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2ncc[nH]2)ccc1O ZINC000177056404 385173133 /nfs/dbraw/zinc/17/31/33/385173133.db2.gz QPBCAOCDYMZSIB-UHFFFAOYSA-N 1 2 247.298 1.756 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+](CCO)C1CC1 ZINC000189663138 385175245 /nfs/dbraw/zinc/17/52/45/385175245.db2.gz IUMDWBRHBUMOCM-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000189663138 385175247 /nfs/dbraw/zinc/17/52/47/385175247.db2.gz IUMDWBRHBUMOCM-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@H]1C[N@H+](CCNC(=O)C2(C)CCC2)CCO1 ZINC000530926326 385176146 /nfs/dbraw/zinc/17/61/46/385176146.db2.gz UVICWZUGTSQLAQ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1C[N@@H+](CCNC(=O)C2(C)CCC2)CCO1 ZINC000530926326 385176155 /nfs/dbraw/zinc/17/61/55/385176155.db2.gz UVICWZUGTSQLAQ-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CO[C@H]1CCC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000189717012 385179961 /nfs/dbraw/zinc/17/99/61/385179961.db2.gz AUOPBDVHKDMOIS-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CO[C@H]1CCC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000189717012 385179964 /nfs/dbraw/zinc/17/99/64/385179964.db2.gz AUOPBDVHKDMOIS-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO O=C(CNc1cc[nH+]c(C2CC2)n1)NC1CC1 ZINC000110118059 385210742 /nfs/dbraw/zinc/21/07/42/385210742.db2.gz ZGFZAPXGNAHPDB-UHFFFAOYSA-N 1 2 232.287 1.045 20 0 BDADLO c1cn(CCNc2ccnc(C3CC3)n2)c[nH+]1 ZINC000110114339 385212655 /nfs/dbraw/zinc/21/26/55/385212655.db2.gz IPCIPDOXRUUHPS-UHFFFAOYSA-N 1 2 229.287 1.663 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000166103115 385223265 /nfs/dbraw/zinc/22/32/65/385223265.db2.gz BPHIJNWSBUNPMF-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000166103115 385223271 /nfs/dbraw/zinc/22/32/71/385223271.db2.gz BPHIJNWSBUNPMF-RKDXNWHRSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1nc(N(C)CC(C)(C)C)nc(N)[nH+]1 ZINC000308881065 385235883 /nfs/dbraw/zinc/23/58/83/385235883.db2.gz OUGWOQHXUQMRMB-UHFFFAOYSA-N 1 2 209.297 1.245 20 0 BDADLO Cc1nc(N)nc(N(C)CC(C)(C)C)[nH+]1 ZINC000308881065 385235886 /nfs/dbraw/zinc/23/58/86/385235886.db2.gz OUGWOQHXUQMRMB-UHFFFAOYSA-N 1 2 209.297 1.245 20 0 BDADLO CCOC(=O)C1(CNc2nc(C)[nH+]cc2C)CC1 ZINC000569120170 385237204 /nfs/dbraw/zinc/23/72/04/385237204.db2.gz BVGXPJMIEKWUFF-UHFFFAOYSA-N 1 2 249.314 1.271 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000292130321 385238500 /nfs/dbraw/zinc/23/85/00/385238500.db2.gz XMDFDRXKQPTLPY-PHIMTYICSA-N 1 2 248.330 1.362 20 0 BDADLO COC(=O)[C@]1(C)CC[N@H+](CC(F)F)C1 ZINC000177433345 385240923 /nfs/dbraw/zinc/24/09/23/385240923.db2.gz TWAIITLWZSUDQB-SECBINFHSA-N 1 2 207.220 1.137 20 0 BDADLO COC(=O)[C@]1(C)CC[N@@H+](CC(F)F)C1 ZINC000177433345 385240924 /nfs/dbraw/zinc/24/09/24/385240924.db2.gz TWAIITLWZSUDQB-SECBINFHSA-N 1 2 207.220 1.137 20 0 BDADLO CO[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110530620 385244962 /nfs/dbraw/zinc/24/49/62/385244962.db2.gz DRSLOQQXNUZFCV-LLVKDONJSA-N 1 2 233.315 1.969 20 0 BDADLO CC[C@H]([NH2+]CCCc1nccs1)C(=O)OC ZINC000290636468 385250295 /nfs/dbraw/zinc/25/02/95/385250295.db2.gz NGOZFKFXEPCCNB-VIFPVBQESA-N 1 2 242.344 1.617 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290683237 385254493 /nfs/dbraw/zinc/25/44/93/385254493.db2.gz IYFWJTCTBAFVHA-ONGXEEELSA-N 1 2 236.319 1.408 20 0 BDADLO CC(C)(C)c1noc(C[N@@H+]2CCCOCC2)n1 ZINC000363377549 385202751 /nfs/dbraw/zinc/20/27/51/385202751.db2.gz DUDNPLYIVHAGDV-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO CC(C)(C)c1noc(C[N@H+]2CCCOCC2)n1 ZINC000363377549 385202760 /nfs/dbraw/zinc/20/27/60/385202760.db2.gz DUDNPLYIVHAGDV-UHFFFAOYSA-N 1 2 239.319 1.589 20 0 BDADLO CCC[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)OCC ZINC000037957763 385323961 /nfs/dbraw/zinc/32/39/61/385323961.db2.gz VJMACQHYRGAGJJ-GHMZBOCLSA-N 1 2 229.320 1.487 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCCC1CC1 ZINC000643148417 385260334 /nfs/dbraw/zinc/26/03/34/385260334.db2.gz VCQBWENTTUIVEN-UHFFFAOYSA-N 1 2 235.331 1.959 20 0 BDADLO Nc1[nH+]cnc(NCCn2cccn2)c1Cl ZINC000227848455 385260704 /nfs/dbraw/zinc/26/07/04/385260704.db2.gz MSSNGQGZYQNRLW-UHFFFAOYSA-N 1 2 238.682 1.021 20 0 BDADLO Nc1nc[nH+]c(NCCn2cccn2)c1Cl ZINC000227848455 385260712 /nfs/dbraw/zinc/26/07/12/385260712.db2.gz MSSNGQGZYQNRLW-UHFFFAOYSA-N 1 2 238.682 1.021 20 0 BDADLO CCC[C@@H](C)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292176910 385279736 /nfs/dbraw/zinc/27/97/36/385279736.db2.gz AOUVZFIPJZUPDI-SNVBAGLBSA-N 1 2 238.335 1.750 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)o1 ZINC000407980337 385281061 /nfs/dbraw/zinc/28/10/61/385281061.db2.gz IJCIMBGIMFVZME-DTWKUNHWSA-N 1 2 225.292 1.407 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)o1 ZINC000407980337 385281065 /nfs/dbraw/zinc/28/10/65/385281065.db2.gz IJCIMBGIMFVZME-DTWKUNHWSA-N 1 2 225.292 1.407 20 0 BDADLO CS(=O)(=O)C1(CNc2cccc[nH+]2)CCC1 ZINC000280223155 385281063 /nfs/dbraw/zinc/28/10/63/385281063.db2.gz HHEISBVDGAIKQK-UHFFFAOYSA-N 1 2 240.328 1.461 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccccc1 ZINC000191179234 385290271 /nfs/dbraw/zinc/29/02/71/385290271.db2.gz JURRQUUGMGWHEJ-SNVBAGLBSA-N 1 2 246.314 1.986 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000292244545 385294936 /nfs/dbraw/zinc/29/49/36/385294936.db2.gz DSAXGKOOROJYFS-SNVBAGLBSA-N 1 2 238.335 1.654 20 0 BDADLO O=C(c1ccon1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000407986692 385298768 /nfs/dbraw/zinc/29/87/68/385298768.db2.gz MUYDVXFZYKMVIM-UHFFFAOYSA-N 1 2 246.270 1.418 20 0 BDADLO C[N@H+](CCO)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154059739 385299180 /nfs/dbraw/zinc/29/91/80/385299180.db2.gz SCYYVKHAOKSIAT-UHFFFAOYSA-N 1 2 231.299 1.501 20 0 BDADLO C[N@@H+](CCO)Cc1nc(-c2ccccc2)c[nH]1 ZINC000154059739 385299186 /nfs/dbraw/zinc/29/91/86/385299186.db2.gz SCYYVKHAOKSIAT-UHFFFAOYSA-N 1 2 231.299 1.501 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)C(F)(F)F ZINC000644790791 385300550 /nfs/dbraw/zinc/30/05/50/385300550.db2.gz PMQPZSKUUWJAHD-MRVPVSSYSA-N 1 2 249.236 1.730 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158045662 385328834 /nfs/dbraw/zinc/32/88/34/385328834.db2.gz JKOPJRNGAKQJKO-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000158045662 385328836 /nfs/dbraw/zinc/32/88/36/385328836.db2.gz JKOPJRNGAKQJKO-JTQLQIEISA-N 1 2 227.304 1.193 20 0 BDADLO CC(C)c1cccc2c1CC[N@H+](CC(N)=O)C2 ZINC000191891980 385331049 /nfs/dbraw/zinc/33/10/49/385331049.db2.gz XARPZCDWWUNIFY-UHFFFAOYSA-N 1 2 232.327 1.653 20 0 BDADLO CC(C)c1cccc2c1CC[N@@H+](CC(N)=O)C2 ZINC000191891980 385331053 /nfs/dbraw/zinc/33/10/53/385331053.db2.gz XARPZCDWWUNIFY-UHFFFAOYSA-N 1 2 232.327 1.653 20 0 BDADLO Cc1cc(N)nc(SC2CCOCC2)[nH+]1 ZINC000148592607 385388615 /nfs/dbraw/zinc/38/86/15/385388615.db2.gz LRBBMCWALPXLJJ-UHFFFAOYSA-N 1 2 225.317 1.638 20 0 BDADLO Cn1ccnc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000131443950 385335131 /nfs/dbraw/zinc/33/51/31/385335131.db2.gz WDXGJUSHGGGNKX-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1ccnc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000131443950 385335135 /nfs/dbraw/zinc/33/51/35/385335135.db2.gz WDXGJUSHGGGNKX-UHFFFAOYSA-N 1 2 231.299 1.758 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H]1C=C[C@H](CO)C1 ZINC000192134022 385345060 /nfs/dbraw/zinc/34/50/60/385345060.db2.gz JCBCUFRXNVTDOP-WDEREUQCSA-N 1 2 243.310 1.922 20 0 BDADLO COC(=O)C[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000131711698 385356005 /nfs/dbraw/zinc/35/60/05/385356005.db2.gz HQSBIERVVXLBKK-MRVPVSSYSA-N 1 2 236.271 1.528 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000148022843 385362948 /nfs/dbraw/zinc/36/29/48/385362948.db2.gz CRAMURDEUMRUAG-QMMMGPOBSA-N 1 2 207.277 1.414 20 0 BDADLO C[C@@H](CCO)CCNc1[nH+]cnc2c1cnn2C ZINC000295013078 385378325 /nfs/dbraw/zinc/37/83/25/385378325.db2.gz TYFVOYTYCUGRTN-SECBINFHSA-N 1 2 249.318 1.184 20 0 BDADLO CCC[C@](C)([NH2+]CC[C@H](C)O)C(=O)OC ZINC000309067503 385392948 /nfs/dbraw/zinc/39/29/48/385392948.db2.gz AGMFICZUNSDJDR-ONGXEEELSA-N 1 2 217.309 1.079 20 0 BDADLO CC[C@@H](CSC)[N@H+](C)Cc1ncnn1C ZINC000180679398 385393661 /nfs/dbraw/zinc/39/36/61/385393661.db2.gz CKHXTPLZNHGRMU-VIFPVBQESA-N 1 2 228.365 1.389 20 0 BDADLO CC[C@@H](CSC)[N@@H+](C)Cc1ncnn1C ZINC000180679398 385393664 /nfs/dbraw/zinc/39/36/64/385393664.db2.gz CKHXTPLZNHGRMU-VIFPVBQESA-N 1 2 228.365 1.389 20 0 BDADLO C=CC(=O)NCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000178576731 385393877 /nfs/dbraw/zinc/39/38/77/385393877.db2.gz AIDUEFXSJVQEMQ-UHFFFAOYSA-N 1 2 247.298 1.329 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000309059268 385395172 /nfs/dbraw/zinc/39/51/72/385395172.db2.gz NDENMQLOVPKZKM-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1 ZINC000309059268 385395177 /nfs/dbraw/zinc/39/51/77/385395177.db2.gz NDENMQLOVPKZKM-IUCAKERBSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000309059263 385396217 /nfs/dbraw/zinc/39/62/17/385396217.db2.gz NDENMQLOVPKZKM-BDAKNGLRSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000309059263 385396221 /nfs/dbraw/zinc/39/62/21/385396221.db2.gz NDENMQLOVPKZKM-BDAKNGLRSA-N 1 2 225.292 1.148 20 0 BDADLO Cn1nnc(C[NH2+]C2(c3ccccc3)CCC2)n1 ZINC000193461844 385398301 /nfs/dbraw/zinc/39/83/01/385398301.db2.gz TVEFEKPGDPQFTF-UHFFFAOYSA-N 1 2 243.314 1.379 20 0 BDADLO Cc1cncc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000193463527 385398336 /nfs/dbraw/zinc/39/83/36/385398336.db2.gz ZDBJETSWVJEFMV-UHFFFAOYSA-N 1 2 244.298 1.695 20 0 BDADLO Cn1cc([C@H]([NH2+]C2COC2)c2ccccc2)cn1 ZINC000367681727 385426324 /nfs/dbraw/zinc/42/63/24/385426324.db2.gz DXVLJDMULQQUGX-CQSZACIVSA-N 1 2 243.310 1.498 20 0 BDADLO Cc1cnccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000301848491 385442987 /nfs/dbraw/zinc/44/29/87/385442987.db2.gz OWIAEPAJJBHOHX-UHFFFAOYSA-N 1 2 230.271 1.086 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1cccc(F)c1N ZINC000156380505 385448610 /nfs/dbraw/zinc/44/86/10/385448610.db2.gz HJNYQQSSNYZNCE-UHFFFAOYSA-N 1 2 248.305 1.773 20 0 BDADLO CSCC[N@H+](C)Cc1cscn1 ZINC000195029947 385458061 /nfs/dbraw/zinc/45/80/61/385458061.db2.gz PKMFJSQCRIYQFH-UHFFFAOYSA-N 1 2 202.348 1.938 20 0 BDADLO CSCC[N@@H+](C)Cc1cscn1 ZINC000195029947 385458064 /nfs/dbraw/zinc/45/80/64/385458064.db2.gz PKMFJSQCRIYQFH-UHFFFAOYSA-N 1 2 202.348 1.938 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)[C@@H](C)CO ZINC000178942555 385427638 /nfs/dbraw/zinc/42/76/38/385427638.db2.gz PVQKJPVYTOZCEF-JTQLQIEISA-N 1 2 211.309 1.277 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)[C@@H](C)CO ZINC000178942555 385427641 /nfs/dbraw/zinc/42/76/41/385427641.db2.gz PVQKJPVYTOZCEF-JTQLQIEISA-N 1 2 211.309 1.277 20 0 BDADLO C[C@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000309133660 385431998 /nfs/dbraw/zinc/43/19/98/385431998.db2.gz ROYMDHSEIITGLF-VIFPVBQESA-N 1 2 203.245 1.920 20 0 BDADLO COCc1noc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000182331700 385437977 /nfs/dbraw/zinc/43/79/77/385437977.db2.gz JKCFMABKNNDMHN-QMMMGPOBSA-N 1 2 243.332 1.153 20 0 BDADLO COCc1noc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000182331700 385437979 /nfs/dbraw/zinc/43/79/79/385437979.db2.gz JKCFMABKNNDMHN-QMMMGPOBSA-N 1 2 243.332 1.153 20 0 BDADLO CC(C)(C)CCONC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492922287 385466128 /nfs/dbraw/zinc/46/61/28/385466128.db2.gz NALUQYQRDRDYGW-PLNGDYQASA-N 1 2 237.303 1.907 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCOCC1 ZINC000182710486 385470065 /nfs/dbraw/zinc/47/00/65/385470065.db2.gz MERXLLQEPUEUCI-SECBINFHSA-N 1 2 247.302 1.344 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000179521893 385471406 /nfs/dbraw/zinc/47/14/06/385471406.db2.gz PZMQNQOWDATDAU-VXGBXAGGSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000179521893 385471411 /nfs/dbraw/zinc/47/14/11/385471411.db2.gz PZMQNQOWDATDAU-VXGBXAGGSA-N 1 2 249.358 1.817 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000179591802 385476416 /nfs/dbraw/zinc/47/64/16/385476416.db2.gz DUAZZMOJMKNTHR-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO CCOc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000179591802 385476417 /nfs/dbraw/zinc/47/64/17/385476417.db2.gz DUAZZMOJMKNTHR-UHFFFAOYSA-N 1 2 234.299 1.017 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccc3nccn32)CCO1 ZINC000179663442 385481715 /nfs/dbraw/zinc/48/17/15/385481715.db2.gz PUOJVXXUYLLSKX-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccc3nccn32)CCO1 ZINC000179663442 385481721 /nfs/dbraw/zinc/48/17/21/385481721.db2.gz PUOJVXXUYLLSKX-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000179663442 385481724 /nfs/dbraw/zinc/48/17/24/385481724.db2.gz PUOJVXXUYLLSKX-ZDUSSCGKSA-N 1 2 245.326 1.945 20 0 BDADLO CC[NH+](CC)Cc1ncnn1CC(C)C ZINC000182623615 385461101 /nfs/dbraw/zinc/46/11/01/385461101.db2.gz KZQGMWQWQCVBGG-UHFFFAOYSA-N 1 2 210.325 1.776 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccn1C ZINC000179807165 385492221 /nfs/dbraw/zinc/49/22/21/385492221.db2.gz VBTYFWTUZSXCFT-LBPRGKRZSA-N 1 2 236.315 1.553 20 0 BDADLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccn1C ZINC000179807165 385492225 /nfs/dbraw/zinc/49/22/25/385492225.db2.gz VBTYFWTUZSXCFT-LBPRGKRZSA-N 1 2 236.315 1.553 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C(C)(C)C(C)(F)F ZINC000448897767 385493859 /nfs/dbraw/zinc/49/38/59/385493859.db2.gz JUJWRIRSOUDZTE-UHFFFAOYSA-N 1 2 245.273 1.718 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC(C)(O)CC1 ZINC000179859062 385495256 /nfs/dbraw/zinc/49/52/56/385495256.db2.gz FSGLRKXNLRZCLH-UHFFFAOYSA-N 1 2 249.314 1.769 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cn[nH]c1C ZINC000179896901 385497803 /nfs/dbraw/zinc/49/78/03/385497803.db2.gz WBEROWYZZLFCMS-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cn[nH]c1C ZINC000179896901 385497807 /nfs/dbraw/zinc/49/78/07/385497807.db2.gz WBEROWYZZLFCMS-NSHDSACASA-N 1 2 237.303 1.246 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H](C)O1 ZINC000111273253 385498839 /nfs/dbraw/zinc/49/88/39/385498839.db2.gz FCJATDVZCLFNHJ-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H](C)O1 ZINC000111273253 385498844 /nfs/dbraw/zinc/49/88/44/385498844.db2.gz FCJATDVZCLFNHJ-JQWIXIFHSA-N 1 2 240.347 1.012 20 0 BDADLO c1ncn([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000171617371 385501460 /nfs/dbraw/zinc/50/14/60/385501460.db2.gz ZDXPDGQADRNYLS-NSHDSACASA-N 1 2 249.343 1.572 20 0 BDADLO c1ncn([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000171617371 385501464 /nfs/dbraw/zinc/50/14/64/385501464.db2.gz ZDXPDGQADRNYLS-NSHDSACASA-N 1 2 249.343 1.572 20 0 BDADLO C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CCO1 ZINC000171675541 385505236 /nfs/dbraw/zinc/50/52/36/385505236.db2.gz ZWGCOGARRNGRBL-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO C[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)CCO1 ZINC000171675541 385505240 /nfs/dbraw/zinc/50/52/40/385505240.db2.gz ZWGCOGARRNGRBL-LLVKDONJSA-N 1 2 248.330 1.302 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(=O)[nH]c1 ZINC000643007629 385505577 /nfs/dbraw/zinc/50/55/77/385505577.db2.gz ACTCMVULTAAJLA-UHFFFAOYSA-N 1 2 246.270 1.403 20 0 BDADLO Cc1csc(COCc2[nH]cc[nH+]2)n1 ZINC000180057001 385506258 /nfs/dbraw/zinc/50/62/58/385506258.db2.gz NWYBYVSXSBTVPB-UHFFFAOYSA-N 1 2 209.274 1.891 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCN(C)C(=O)C1 ZINC000180167082 385510106 /nfs/dbraw/zinc/51/01/06/385510106.db2.gz XWGWDYXNWUSWFX-UHFFFAOYSA-N 1 2 236.290 1.408 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000180167082 385510108 /nfs/dbraw/zinc/51/01/08/385510108.db2.gz XWGWDYXNWUSWFX-UHFFFAOYSA-N 1 2 236.290 1.408 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000157636669 385511489 /nfs/dbraw/zinc/51/14/89/385511489.db2.gz UBOKEZRPNCTTAL-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000157636669 385511493 /nfs/dbraw/zinc/51/14/93/385511493.db2.gz UBOKEZRPNCTTAL-JTQLQIEISA-N 1 2 243.328 1.207 20 0 BDADLO Cn1c2ccccc2[nH+]c1N1CCO[C@@H]2C[C@@H]21 ZINC000644136096 385513459 /nfs/dbraw/zinc/51/34/59/385513459.db2.gz LGRXKZZMDBCBKE-NWDGAFQWSA-N 1 2 229.283 1.551 20 0 BDADLO Cn1cccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000644134466 385515909 /nfs/dbraw/zinc/51/59/09/385515909.db2.gz WJBRBNQULSKCHJ-UHFFFAOYSA-N 1 2 235.331 1.079 20 0 BDADLO Cn1cccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000644134466 385515912 /nfs/dbraw/zinc/51/59/12/385515912.db2.gz WJBRBNQULSKCHJ-UHFFFAOYSA-N 1 2 235.331 1.079 20 0 BDADLO COC[C@@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000171987626 385539730 /nfs/dbraw/zinc/53/97/30/385539730.db2.gz FHZLWTAESWLPMO-SECBINFHSA-N 1 2 221.304 1.825 20 0 BDADLO CC(C)(C)CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636634388 385543758 /nfs/dbraw/zinc/54/37/58/385543758.db2.gz TWUIVPUMPIVXHQ-VIFPVBQESA-N 1 2 236.319 1.153 20 0 BDADLO COC[C@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493165259 533126586 /nfs/dbraw/zinc/12/65/86/533126586.db2.gz XQTDESPAEPHETR-MVIFTORASA-N 1 2 249.314 1.450 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1cncs1 ZINC000180805352 385547430 /nfs/dbraw/zinc/54/74/30/385547430.db2.gz BQULCHUEEXFBMY-UHFFFAOYSA-N 1 2 241.360 1.621 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1cncs1 ZINC000180805352 385547433 /nfs/dbraw/zinc/54/74/33/385547433.db2.gz BQULCHUEEXFBMY-UHFFFAOYSA-N 1 2 241.360 1.621 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccc(OC)n2)CCO1 ZINC000171823730 385520756 /nfs/dbraw/zinc/52/07/56/385520756.db2.gz BFHWDDWAKLCDFU-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccc(OC)n2)CCO1 ZINC000171823730 385520757 /nfs/dbraw/zinc/52/07/57/385520757.db2.gz BFHWDDWAKLCDFU-GFCCVEGCSA-N 1 2 236.315 1.701 20 0 BDADLO CCc1cc(N)nc(SC[C@H]2CCCO2)[nH+]1 ZINC000309308650 385525726 /nfs/dbraw/zinc/52/57/26/385525726.db2.gz WIZVUGIZFMVYNX-SECBINFHSA-N 1 2 239.344 1.892 20 0 BDADLO Cn1cc(NCc2c[nH+]cn2C)c(C2CC2)n1 ZINC000361049809 385526122 /nfs/dbraw/zinc/52/61/22/385526122.db2.gz GPSWMCPMMBVKGZ-UHFFFAOYSA-N 1 2 231.303 1.643 20 0 BDADLO CO[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[C@H]1C ZINC000493291024 385559808 /nfs/dbraw/zinc/55/98/08/385559808.db2.gz QNOGCMAYJIUEJB-YIZUVKHSSA-N 1 2 249.314 1.306 20 0 BDADLO CO[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[C@@H]1C ZINC000493291023 385560069 /nfs/dbraw/zinc/56/00/69/385560069.db2.gz QNOGCMAYJIUEJB-MJKAUQOVSA-N 1 2 249.314 1.306 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cccn1C ZINC000107294186 385561841 /nfs/dbraw/zinc/56/18/41/385561841.db2.gz SLVOUPYNBKKRMX-UHFFFAOYSA-N 1 2 215.256 1.981 20 0 BDADLO FC[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000334645310 385593653 /nfs/dbraw/zinc/59/36/53/385593653.db2.gz OFLJCCVLCQAXBX-NSHDSACASA-N 1 2 227.254 1.996 20 0 BDADLO FC[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000334645310 385593656 /nfs/dbraw/zinc/59/36/56/385593656.db2.gz OFLJCCVLCQAXBX-NSHDSACASA-N 1 2 227.254 1.996 20 0 BDADLO C[C@@]([NH2+]CCF)(C(N)=O)c1cccc(Cl)c1 ZINC000309462563 385593802 /nfs/dbraw/zinc/59/38/02/385593802.db2.gz PEIRFGMLNDIPHU-NSHDSACASA-N 1 2 244.697 1.600 20 0 BDADLO C[C@@H](O)CN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000643180396 385595723 /nfs/dbraw/zinc/59/57/23/385595723.db2.gz NFAALLUUGBPMRF-SECBINFHSA-N 1 2 223.320 1.591 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]CCOCC(C)C)C(=O)OC ZINC000337310886 385600280 /nfs/dbraw/zinc/60/02/80/385600280.db2.gz BQWMUFIFRYOYGJ-NEPJUHHUSA-N 1 2 245.363 1.836 20 0 BDADLO C[C@@H](CNc1ncc(F)cn1)Cn1cc[nH+]c1 ZINC000269512993 385601517 /nfs/dbraw/zinc/60/15/17/385601517.db2.gz SZCSCKDAXNPYCC-VIFPVBQESA-N 1 2 235.266 1.560 20 0 BDADLO Cc1ccncc1C[N@H+]1CCOC[C@H]1C ZINC000269544610 385605267 /nfs/dbraw/zinc/60/52/67/385605267.db2.gz BTXKDQUSCKWGHD-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCOC[C@H]1C ZINC000269544610 385605271 /nfs/dbraw/zinc/60/52/71/385605271.db2.gz BTXKDQUSCKWGHD-LLVKDONJSA-N 1 2 206.289 1.611 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](OC)C(C)C)C1CC1 ZINC000309458657 385589866 /nfs/dbraw/zinc/58/98/66/385589866.db2.gz NHFHTCXLTHNQQZ-MNOVXSKESA-N 1 2 229.320 1.199 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000365664673 385592508 /nfs/dbraw/zinc/59/25/08/385592508.db2.gz WKSSTQFYJQFZEG-GFCCVEGCSA-N 1 2 245.330 1.752 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000365664673 385592509 /nfs/dbraw/zinc/59/25/09/385592509.db2.gz WKSSTQFYJQFZEG-GFCCVEGCSA-N 1 2 245.330 1.752 20 0 BDADLO CC(C)CONC(=O)NCCCn1cc[nH+]c1 ZINC000269683907 385624022 /nfs/dbraw/zinc/62/40/22/385624022.db2.gz FUVAUMBEHQGHBX-UHFFFAOYSA-N 1 2 240.307 1.160 20 0 BDADLO C[N@H+](CCO)Cc1c(F)ccc(O)c1F ZINC000280995905 385625636 /nfs/dbraw/zinc/62/56/36/385625636.db2.gz MDWXUMCSWBPPLC-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO C[N@@H+](CCO)Cc1c(F)ccc(O)c1F ZINC000280995905 385625639 /nfs/dbraw/zinc/62/56/39/385625639.db2.gz MDWXUMCSWBPPLC-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000281047329 385629713 /nfs/dbraw/zinc/62/97/13/385629713.db2.gz HMCLCIOILCTNIO-OLZOCXBDSA-N 1 2 233.315 1.737 20 0 BDADLO C=Cn1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000281047329 385629719 /nfs/dbraw/zinc/62/97/19/385629719.db2.gz HMCLCIOILCTNIO-OLZOCXBDSA-N 1 2 233.315 1.737 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccncc1 ZINC000054459190 385629976 /nfs/dbraw/zinc/62/99/76/385629976.db2.gz PJPOPLBPLQOUPZ-SNVBAGLBSA-N 1 2 214.272 1.722 20 0 BDADLO C[C@@H]1CCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493742990 385610232 /nfs/dbraw/zinc/61/02/32/385610232.db2.gz BVQCEIUCAQDXMX-XIJCSBCJSA-N 1 2 233.315 1.975 20 0 BDADLO CCc1nocc1C[NH2+]Cc1nnc(C)s1 ZINC000382191334 385611977 /nfs/dbraw/zinc/61/19/77/385611977.db2.gz BWDZFLCYOGBNJK-UHFFFAOYSA-N 1 2 238.316 1.687 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000340060083 385612378 /nfs/dbraw/zinc/61/23/78/385612378.db2.gz UEXRQVIWJXXNLX-VHSXEESVSA-N 1 2 219.288 1.414 20 0 BDADLO Cc1cc(NCc2cc(C)[nH+]c(C)c2)ncn1 ZINC000643191210 385637766 /nfs/dbraw/zinc/63/77/66/385637766.db2.gz LDJDZOMDLRXROD-UHFFFAOYSA-N 1 2 228.299 1.831 20 0 BDADLO Cc1nc(C(=O)NCc2[nH]cc[nH+]2)c(C)s1 ZINC000269830707 385639426 /nfs/dbraw/zinc/63/94/26/385639426.db2.gz FWGKHIOZRTYTNZ-UHFFFAOYSA-N 1 2 236.300 1.413 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC[C@@H](C)C2)nc[nH+]1 ZINC000281179912 385641063 /nfs/dbraw/zinc/64/10/63/385641063.db2.gz ATYMODVWJSFDHW-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO C[C@@H](O)CNc1cc(N2CC[C@@H](C)C2)[nH+]cn1 ZINC000281179912 385641067 /nfs/dbraw/zinc/64/10/67/385641067.db2.gz ATYMODVWJSFDHW-NXEZZACHSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1[nH]c(C(=O)NCCC2=CCCC2)c[nH+]1 ZINC000269867491 385641855 /nfs/dbraw/zinc/64/18/55/385641855.db2.gz LKNZBPAAXIYLAW-UHFFFAOYSA-N 1 2 219.288 1.948 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCCCC1 ZINC000281176714 385642862 /nfs/dbraw/zinc/64/28/62/385642862.db2.gz NJUNRXKKUJAVKA-UHFFFAOYSA-N 1 2 207.277 1.355 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cncnc1 ZINC000281197288 385643810 /nfs/dbraw/zinc/64/38/10/385643810.db2.gz IUBIXZOOKGXQLU-SNVBAGLBSA-N 1 2 237.303 1.250 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cncnc1 ZINC000281197288 385643814 /nfs/dbraw/zinc/64/38/14/385643814.db2.gz IUBIXZOOKGXQLU-SNVBAGLBSA-N 1 2 237.303 1.250 20 0 BDADLO CCCCCN1CC(=O)N[C@H]1c1c[nH]c[nH+]1 ZINC000182317552 385656278 /nfs/dbraw/zinc/65/62/78/385656278.db2.gz DMFMYVBELNTRJT-LLVKDONJSA-N 1 2 222.292 1.030 20 0 BDADLO CCCCCN1CC(=O)N[C@H]1c1c[nH+]cn1C ZINC000182324464 385657737 /nfs/dbraw/zinc/65/77/37/385657737.db2.gz HUNZCOUDCKVVJX-GFCCVEGCSA-N 1 2 236.319 1.041 20 0 BDADLO CC(C)n1cnc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000281321825 385657931 /nfs/dbraw/zinc/65/79/31/385657931.db2.gz RGEDJKLYJDBRAE-UHFFFAOYSA-N 1 2 247.302 1.128 20 0 BDADLO CCc1cccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000337430796 385659316 /nfs/dbraw/zinc/65/93/16/385659316.db2.gz YXNROFUMKCEPSM-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1cccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1 ZINC000337430796 385659321 /nfs/dbraw/zinc/65/93/21/385659321.db2.gz YXNROFUMKCEPSM-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000182340591 385659735 /nfs/dbraw/zinc/65/97/35/385659735.db2.gz AKYRWHIFFFQASC-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000182340591 385659738 /nfs/dbraw/zinc/65/97/38/385659738.db2.gz AKYRWHIFFFQASC-AAEUAGOBSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000337436087 385660850 /nfs/dbraw/zinc/66/08/50/385660850.db2.gz XIQFWSHFNWWTSF-UHFFFAOYSA-N 1 2 244.338 1.802 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000337436087 385660853 /nfs/dbraw/zinc/66/08/53/385660853.db2.gz XIQFWSHFNWWTSF-UHFFFAOYSA-N 1 2 244.338 1.802 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)s1 ZINC000336734295 385661415 /nfs/dbraw/zinc/66/14/15/385661415.db2.gz HEYUIBQVDJUEDR-BQBZGAKWSA-N 1 2 237.332 1.981 20 0 BDADLO Cc1ccc(NC(=O)N[C@]2(C)CCOC2)c(C)[nH+]1 ZINC000270120959 385673401 /nfs/dbraw/zinc/67/34/01/385673401.db2.gz IADMBOBMUQKNMS-CYBMUJFWSA-N 1 2 249.314 1.999 20 0 BDADLO CC(C)c1nc(C[NH2+][C@@H](C)[C@H](C)CO)no1 ZINC000309549835 385689478 /nfs/dbraw/zinc/68/94/78/385689478.db2.gz HVSDKMKWWHULCP-BDAKNGLRSA-N 1 2 227.308 1.300 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)C1(C)C ZINC000184695560 385691754 /nfs/dbraw/zinc/69/17/54/385691754.db2.gz CUXMBYPYRGBUKL-DTWKUNHWSA-N 1 2 237.290 1.407 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2ccno2)CCO1 ZINC000270323638 385696654 /nfs/dbraw/zinc/69/66/54/385696654.db2.gz BSZGDIIJOJONKH-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2ccno2)CCO1 ZINC000270323638 385696661 /nfs/dbraw/zinc/69/66/61/385696661.db2.gz BSZGDIIJOJONKH-SNVBAGLBSA-N 1 2 210.277 1.676 20 0 BDADLO CC/C=C/CC[NH2+][C@](C)(COC)C(=O)OC ZINC000184706377 385698152 /nfs/dbraw/zinc/69/81/52/385698152.db2.gz VETGPVXPTOFDRB-NNNHXZLVSA-N 1 2 229.320 1.510 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@H+]2CC=C(C)CC2)n1 ZINC000270342216 385698873 /nfs/dbraw/zinc/69/88/73/385698873.db2.gz NYOFAQXWOHMESC-UHFFFAOYSA-N 1 2 233.315 1.897 20 0 BDADLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=C(C)CC2)n1 ZINC000270342216 385698875 /nfs/dbraw/zinc/69/88/75/385698875.db2.gz NYOFAQXWOHMESC-UHFFFAOYSA-N 1 2 233.315 1.897 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)c1ccccc1 ZINC000184711799 385703181 /nfs/dbraw/zinc/70/31/81/385703181.db2.gz MNRUBXLOYGQXMO-VIFPVBQESA-N 1 2 215.243 1.965 20 0 BDADLO Cn1ncnc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000270390581 385703937 /nfs/dbraw/zinc/70/39/37/385703937.db2.gz SJQBDNZBJXYNMH-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000270390581 385703943 /nfs/dbraw/zinc/70/39/43/385703943.db2.gz SJQBDNZBJXYNMH-UHFFFAOYSA-N 1 2 234.347 1.993 20 0 BDADLO COCC[C@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000281836771 385706671 /nfs/dbraw/zinc/70/66/71/385706671.db2.gz LBEIATQHTGHINV-SNVBAGLBSA-N 1 2 249.314 1.383 20 0 BDADLO CN(Cc1[nH+]ccn1C)Cc1cccnc1 ZINC000182815077 385708820 /nfs/dbraw/zinc/70/88/20/385708820.db2.gz CWUUFWQUDAHZGZ-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282762774 385785656 /nfs/dbraw/zinc/78/56/56/385785656.db2.gz OZRTYJPWONOBLB-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccoc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282762774 385785659 /nfs/dbraw/zinc/78/56/59/385785659.db2.gz OZRTYJPWONOBLB-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000408375820 385742156 /nfs/dbraw/zinc/74/21/56/385742156.db2.gz PYQNNVJAJRLWGY-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)[nH]1 ZINC000408375820 385742163 /nfs/dbraw/zinc/74/21/63/385742163.db2.gz PYQNNVJAJRLWGY-UWVGGRQHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000408375818 385743565 /nfs/dbraw/zinc/74/35/65/385743565.db2.gz PYQNNVJAJRLWGY-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)[nH]1 ZINC000408375818 385743568 /nfs/dbraw/zinc/74/35/68/385743568.db2.gz PYQNNVJAJRLWGY-NXEZZACHSA-N 1 2 238.335 1.131 20 0 BDADLO COC[C@@H](O)CCNc1cc[nH+]c2ccncc12 ZINC000270804729 385745808 /nfs/dbraw/zinc/74/58/08/385745808.db2.gz OKWGNGAZBGXTIE-JTQLQIEISA-N 1 2 247.298 1.439 20 0 BDADLO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)o1 ZINC000282264139 385747694 /nfs/dbraw/zinc/74/76/94/385747694.db2.gz CAKJAVFESMVZBL-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)o1 ZINC000282264139 385747698 /nfs/dbraw/zinc/74/76/98/385747698.db2.gz CAKJAVFESMVZBL-SECBINFHSA-N 1 2 222.288 1.251 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000408377452 385760035 /nfs/dbraw/zinc/76/00/35/385760035.db2.gz XDGFUDUMKWYYLB-SNVBAGLBSA-N 1 2 238.335 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCOC[C@H](C)C2)[nH]1 ZINC000408377452 385760037 /nfs/dbraw/zinc/76/00/37/385760037.db2.gz XDGFUDUMKWYYLB-SNVBAGLBSA-N 1 2 238.335 1.396 20 0 BDADLO COC[C@H]([NH2+]C1CCC(C)CC1)C(=O)OC ZINC000309642844 385764716 /nfs/dbraw/zinc/76/47/16/385764716.db2.gz LDTMMNOBIGCSCG-ILDUYXDCSA-N 1 2 229.320 1.343 20 0 BDADLO CSC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282788972 385787386 /nfs/dbraw/zinc/78/73/86/385787386.db2.gz NJWIYFQJMHHGIT-NSCUHMNNSA-N 1 2 237.328 1.435 20 0 BDADLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000271049377 385778510 /nfs/dbraw/zinc/77/85/10/385778510.db2.gz URELDFGVCHUPOI-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000271049377 385778520 /nfs/dbraw/zinc/77/85/20/385778520.db2.gz URELDFGVCHUPOI-MRVPVSSYSA-N 1 2 209.293 1.247 20 0 BDADLO O=C([C@@H]1CC=CCC1)N1CCn2c[nH+]cc2C1 ZINC000290917649 385718920 /nfs/dbraw/zinc/71/89/20/385718920.db2.gz JXPIRWWDORTBHE-LLVKDONJSA-N 1 2 231.299 1.582 20 0 BDADLO Cc1nnc(C[N@@H+]2CCCO[C@H](C(C)C)C2)[nH]1 ZINC000331547282 385722111 /nfs/dbraw/zinc/72/21/11/385722111.db2.gz AZJPDOXFHCDXFO-NSHDSACASA-N 1 2 238.335 1.360 20 0 BDADLO Cc1nnc(C[N@H+]2CCCO[C@H](C(C)C)C2)[nH]1 ZINC000331547282 385722113 /nfs/dbraw/zinc/72/21/13/385722113.db2.gz AZJPDOXFHCDXFO-NSHDSACASA-N 1 2 238.335 1.360 20 0 BDADLO Cc1ccoc1C[N@H+](C)Cc1cc[nH]n1 ZINC000271195812 385802517 /nfs/dbraw/zinc/80/25/17/385802517.db2.gz RLSPPVFAJLGMAY-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO Cc1ccoc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000271195812 385802521 /nfs/dbraw/zinc/80/25/21/385802521.db2.gz RLSPPVFAJLGMAY-UHFFFAOYSA-N 1 2 205.261 1.943 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncccc2O)CCO1 ZINC000571602702 385804693 /nfs/dbraw/zinc/80/46/93/385804693.db2.gz VOSWODVJTLUWHK-SNVBAGLBSA-N 1 2 222.288 1.398 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncccc2O)CCO1 ZINC000571602702 385804699 /nfs/dbraw/zinc/80/46/99/385804699.db2.gz VOSWODVJTLUWHK-SNVBAGLBSA-N 1 2 222.288 1.398 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NOCCC(F)(F)F ZINC000283016468 385805169 /nfs/dbraw/zinc/80/51/69/385805169.db2.gz HMJVKAZLPWPIJS-OWOJBTEDSA-N 1 2 249.192 1.423 20 0 BDADLO COc1nccnc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000294135658 385812671 /nfs/dbraw/zinc/81/26/71/385812671.db2.gz FWWVDARBJCZDAI-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CC[C@H]1C[C@@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000337887541 385818097 /nfs/dbraw/zinc/81/80/97/385818097.db2.gz ZAHPJABWGIXBHS-ZJUUUORDSA-N 1 2 245.330 1.988 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ncccc2C)[C@@H](C)C1 ZINC000271328807 385818562 /nfs/dbraw/zinc/81/85/62/385818562.db2.gz FGDQSQPZOONVCH-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ncccc2C)[C@@H](C)C1 ZINC000271328807 385818566 /nfs/dbraw/zinc/81/85/66/385818566.db2.gz FGDQSQPZOONVCH-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)nn1 ZINC000283555642 385823068 /nfs/dbraw/zinc/82/30/68/385823068.db2.gz NMXOSHNWXIHITM-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)nn1 ZINC000283555642 385823071 /nfs/dbraw/zinc/82/30/71/385823071.db2.gz NMXOSHNWXIHITM-VHSXEESVSA-N 1 2 237.303 1.094 20 0 BDADLO FCC[NH2+]Cc1ncc(Br)s1 ZINC000307732211 385827323 /nfs/dbraw/zinc/82/73/23/385827323.db2.gz OVTVRVUXYGZCFN-UHFFFAOYSA-N 1 2 239.113 1.965 20 0 BDADLO CCN1CC(=O)N[C@@H]1c1cn2cc(C)ccc2[nH+]1 ZINC000283817118 385835254 /nfs/dbraw/zinc/83/52/54/385835254.db2.gz DVASNZHZVQBBOX-ZDUSSCGKSA-N 1 2 244.298 1.093 20 0 BDADLO CC(C)CCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294312849 385836708 /nfs/dbraw/zinc/83/67/08/385836708.db2.gz IHECWTHNPGNXFV-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CC(C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294312849 385836710 /nfs/dbraw/zinc/83/67/10/385836710.db2.gz IHECWTHNPGNXFV-SNVBAGLBSA-N 1 2 238.335 1.727 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283859428 385837086 /nfs/dbraw/zinc/83/70/86/385837086.db2.gz HLBQBFHVDAZZEI-XVHVLHHCSA-N 1 2 249.314 1.449 20 0 BDADLO CC(C)[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294381178 385842420 /nfs/dbraw/zinc/84/24/20/385842420.db2.gz MBXJZWAPHBUYIJ-ZJUUUORDSA-N 1 2 238.335 1.726 20 0 BDADLO CC(C)[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294381178 385842425 /nfs/dbraw/zinc/84/24/25/385842425.db2.gz MBXJZWAPHBUYIJ-ZJUUUORDSA-N 1 2 238.335 1.726 20 0 BDADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000284005755 385844831 /nfs/dbraw/zinc/84/48/31/385844831.db2.gz NTFQOOQFBZOILS-PRANIUCASA-N 1 2 249.314 1.449 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000294410638 385846821 /nfs/dbraw/zinc/84/68/21/385846821.db2.gz IYQWPOZEESXMRZ-WDEREUQCSA-N 1 2 239.319 1.203 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)o1 ZINC000644838189 385851626 /nfs/dbraw/zinc/85/16/26/385851626.db2.gz QOBSWIUSNQYKFP-NEPJUHHUSA-N 1 2 207.273 1.815 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)o1 ZINC000644838189 385851629 /nfs/dbraw/zinc/85/16/29/385851629.db2.gz QOBSWIUSNQYKFP-NEPJUHHUSA-N 1 2 207.273 1.815 20 0 BDADLO CC[C@@H](CSC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000271851020 385854937 /nfs/dbraw/zinc/85/49/37/385854937.db2.gz WJIOUQRGUXQABW-QMMMGPOBSA-N 1 2 227.333 1.590 20 0 BDADLO CSC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284191174 385854975 /nfs/dbraw/zinc/85/49/75/385854975.db2.gz YXWLDQRIKWFOQU-SNAWJCMRSA-N 1 2 239.344 1.681 20 0 BDADLO Cc1noc(C)c1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282822121 385789254 /nfs/dbraw/zinc/78/92/54/385789254.db2.gz RWBYFKUTNJRUBL-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO Cc1noc(C)c1C[N@H+]1CC(=O)NCC1(C)C ZINC000282822121 385789260 /nfs/dbraw/zinc/78/92/60/385789260.db2.gz RWBYFKUTNJRUBL-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO CC[N@H+](Cc1cnn(C)n1)[C@@H](C)c1cccnc1 ZINC000294045558 385792804 /nfs/dbraw/zinc/79/28/04/385792804.db2.gz WRCPJYICGWLGCR-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO CC[N@@H+](Cc1cnn(C)n1)[C@@H](C)c1cccnc1 ZINC000294045558 385792808 /nfs/dbraw/zinc/79/28/08/385792808.db2.gz WRCPJYICGWLGCR-NSHDSACASA-N 1 2 245.330 1.793 20 0 BDADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1cocn1 ZINC000336709198 385794392 /nfs/dbraw/zinc/79/43/92/385794392.db2.gz RDKGMZSWOBCLMC-JTQLQIEISA-N 1 2 238.312 1.868 20 0 BDADLO CCSCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282917185 385797185 /nfs/dbraw/zinc/79/71/85/385797185.db2.gz YCJWEFSGUSEBLY-SNAWJCMRSA-N 1 2 239.344 1.682 20 0 BDADLO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)C(=O)OC ZINC000336720832 385883825 /nfs/dbraw/zinc/88/38/25/385883825.db2.gz DEDLVUAZNJZYOT-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO c1nc(NC2CCCC2)c2c([nH+]1)NCCO2 ZINC000647845605 385885872 /nfs/dbraw/zinc/88/58/72/385885872.db2.gz SYBGSQVBFYYQQW-UHFFFAOYSA-N 1 2 220.276 1.635 20 0 BDADLO c1nc2c(c(NC3CCCC3)[nH+]1)OCCN2 ZINC000647845605 385885874 /nfs/dbraw/zinc/88/58/74/385885874.db2.gz SYBGSQVBFYYQQW-UHFFFAOYSA-N 1 2 220.276 1.635 20 0 BDADLO CO[C@@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000294704657 385885955 /nfs/dbraw/zinc/88/59/55/385885955.db2.gz FGMNCOVFTDJPJO-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO CO[C@@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000294704657 385885956 /nfs/dbraw/zinc/88/59/56/385885956.db2.gz FGMNCOVFTDJPJO-SNVBAGLBSA-N 1 2 242.269 1.971 20 0 BDADLO COc1nccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000294798982 385898172 /nfs/dbraw/zinc/89/81/72/385898172.db2.gz LHOCGKOJMHCEAN-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO COc1nccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)n1 ZINC000294798982 385898175 /nfs/dbraw/zinc/89/81/75/385898175.db2.gz LHOCGKOJMHCEAN-ZJUUUORDSA-N 1 2 237.303 1.094 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2conc2C)C[C@H](C)O1 ZINC000294811820 385899628 /nfs/dbraw/zinc/89/96/28/385899628.db2.gz WVCBTPLDFIPFAE-CABZTGNLSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2conc2C)C[C@H](C)O1 ZINC000294811820 385899629 /nfs/dbraw/zinc/89/96/29/385899629.db2.gz WVCBTPLDFIPFAE-CABZTGNLSA-N 1 2 240.303 1.219 20 0 BDADLO CCCCCN(CC(N)=O)c1cc[nH+]c(C)n1 ZINC000272455487 385902818 /nfs/dbraw/zinc/90/28/18/385902818.db2.gz KNXWQZRQSUFUGY-UHFFFAOYSA-N 1 2 236.319 1.267 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000338161878 385904363 /nfs/dbraw/zinc/90/43/63/385904363.db2.gz LXEFOZLRXCLIDN-VGMNWLOBSA-N 1 2 243.257 1.289 20 0 BDADLO CCc1[nH]ccc1C(=O)NCCn1cc[nH+]c1 ZINC000285215181 385906088 /nfs/dbraw/zinc/90/60/88/385906088.db2.gz PVFPITAIXKEHGS-UHFFFAOYSA-N 1 2 232.287 1.204 20 0 BDADLO CC(=O)c1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000294871477 385906862 /nfs/dbraw/zinc/90/68/62/385906862.db2.gz DVLFUXJZKZWQMO-AWEZNQCLSA-N 1 2 249.310 1.082 20 0 BDADLO CC(=O)c1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000294871477 385906867 /nfs/dbraw/zinc/90/68/67/385906867.db2.gz DVLFUXJZKZWQMO-AWEZNQCLSA-N 1 2 249.310 1.082 20 0 BDADLO Cn1cnc(C[NH2+][C@H]2CCc3c2cccc3F)n1 ZINC000218746611 385907562 /nfs/dbraw/zinc/90/75/62/385907562.db2.gz ZYXVQGYHFWUJKZ-LBPRGKRZSA-N 1 2 246.289 1.731 20 0 BDADLO COC(=O)C(C)(C)C1=CSC2=[NH+]CCN12 ZINC000285274871 385911355 /nfs/dbraw/zinc/91/13/55/385911355.db2.gz ICJFSNHMJJNXTM-UHFFFAOYSA-N 1 2 226.301 1.445 20 0 BDADLO Cn1cnc(CNc2[nH+]c3ccccc3n2C)n1 ZINC000218898534 385911559 /nfs/dbraw/zinc/91/15/59/385911559.db2.gz KPUAVVJJXWUKID-UHFFFAOYSA-N 1 2 242.286 1.314 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)c2cccn2C)C1 ZINC000285293607 385912938 /nfs/dbraw/zinc/91/29/38/385912938.db2.gz GPRMJQVIWQKLPL-PHIMTYICSA-N 1 2 236.315 1.317 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)c2cccn2C)C1 ZINC000285293607 385912942 /nfs/dbraw/zinc/91/29/42/385912942.db2.gz GPRMJQVIWQKLPL-PHIMTYICSA-N 1 2 236.315 1.317 20 0 BDADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)NC1CC1 ZINC000285333221 385915747 /nfs/dbraw/zinc/91/57/47/385915747.db2.gz JVZWNFPJBKTPAV-GFCCVEGCSA-N 1 2 248.330 1.215 20 0 BDADLO O=C(C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)NC1CC1 ZINC000285333221 385915751 /nfs/dbraw/zinc/91/57/51/385915751.db2.gz JVZWNFPJBKTPAV-GFCCVEGCSA-N 1 2 248.330 1.215 20 0 BDADLO CC[C@H](NC(=O)[C@H]1C[C@H]1C(F)F)c1[nH]cc[nH+]1 ZINC000338218857 385919434 /nfs/dbraw/zinc/91/94/34/385919434.db2.gz CVDREBLDQBTWLO-CSMHCCOUSA-N 1 2 243.257 1.878 20 0 BDADLO CS[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000294958574 385926795 /nfs/dbraw/zinc/92/67/95/385926795.db2.gz JSNYSBVDPCMZDE-QMMMGPOBSA-N 1 2 249.343 1.305 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1ccncc1F ZINC000337952872 385860302 /nfs/dbraw/zinc/86/03/02/385860302.db2.gz FQYRFIPULKABLK-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(Cl)Cl ZINC000271983384 385865998 /nfs/dbraw/zinc/86/59/98/385865998.db2.gz WZFYIJVDGIMTOK-UHFFFAOYSA-N 1 2 236.102 1.528 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1ccc(C(C)C)nc1C ZINC000294553553 385867509 /nfs/dbraw/zinc/86/75/09/385867509.db2.gz KZMMLRNFGQZJQY-UHFFFAOYSA-N 1 2 249.358 1.821 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1ccc(C(C)C)nc1C ZINC000294553553 385867512 /nfs/dbraw/zinc/86/75/12/385867512.db2.gz KZMMLRNFGQZJQY-UHFFFAOYSA-N 1 2 249.358 1.821 20 0 BDADLO COc1nccnc1C[N@@H+]1CCSC[C@@H]1C ZINC000294644569 385876559 /nfs/dbraw/zinc/87/65/59/385876559.db2.gz BCUPNRUYXARNCI-VIFPVBQESA-N 1 2 239.344 1.423 20 0 BDADLO COc1nccnc1C[N@H+]1CCSC[C@@H]1C ZINC000294644569 385876564 /nfs/dbraw/zinc/87/65/64/385876564.db2.gz BCUPNRUYXARNCI-VIFPVBQESA-N 1 2 239.344 1.423 20 0 BDADLO Cc1cnc(CN2CCn3c[nH+]cc3C2)o1 ZINC000647940646 385879996 /nfs/dbraw/zinc/87/99/96/385879996.db2.gz NEUHTKIDGZTYFX-UHFFFAOYSA-N 1 2 218.260 1.195 20 0 BDADLO O=C(CNc1cc[nH+]c(C2CC2)n1)NCC1CC1 ZINC000272151800 385880398 /nfs/dbraw/zinc/88/03/98/385880398.db2.gz CPVLRCFJFIIMAO-UHFFFAOYSA-N 1 2 246.314 1.292 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1nccs1 ZINC000338056209 385882908 /nfs/dbraw/zinc/88/29/08/385882908.db2.gz GKBRDVDOZZKNDC-UHFFFAOYSA-N 1 2 222.273 1.368 20 0 BDADLO COC1(c2ccccc2)C[NH+](C[C@H](C)O)C1 ZINC000414129619 385977254 /nfs/dbraw/zinc/97/72/54/385977254.db2.gz VNHFOFRMLSKTHR-NSHDSACASA-N 1 2 221.300 1.225 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H](OC)C1CC1)C1CC1 ZINC000425416586 385995010 /nfs/dbraw/zinc/99/50/10/385995010.db2.gz GTZIFJDREPWNDE-LLVKDONJSA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)C[N@H+](C[C@@H](OC)C1CC1)C1CC1 ZINC000425416586 385995016 /nfs/dbraw/zinc/99/50/16/385995016.db2.gz GTZIFJDREPWNDE-LLVKDONJSA-N 1 2 227.304 1.049 20 0 BDADLO CC(C)c1[nH]ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000285997883 385986238 /nfs/dbraw/zinc/98/62/38/385986238.db2.gz OSCRAHUHQVHSBS-UHFFFAOYSA-N 1 2 232.287 1.791 20 0 BDADLO CO[C@H](C[NH2+]C(C)(C)c1noc(C)n1)C1CC1 ZINC000425410775 385989067 /nfs/dbraw/zinc/98/90/67/385989067.db2.gz BUPNBRILDFVJHS-SNVBAGLBSA-N 1 2 239.319 1.628 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1ccccn1 ZINC000295202093 385991669 /nfs/dbraw/zinc/99/16/69/385991669.db2.gz SQNUESKKQWDFMB-JTQLQIEISA-N 1 2 233.315 1.181 20 0 BDADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccccn1 ZINC000295202093 385991671 /nfs/dbraw/zinc/99/16/71/385991671.db2.gz SQNUESKKQWDFMB-JTQLQIEISA-N 1 2 233.315 1.181 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1conc1C ZINC000294985313 385935444 /nfs/dbraw/zinc/93/54/44/385935444.db2.gz STIAGJUUTNGXNS-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1conc1C ZINC000294985313 385935449 /nfs/dbraw/zinc/93/54/49/385935449.db2.gz STIAGJUUTNGXNS-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CO[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000336768252 385942875 /nfs/dbraw/zinc/94/28/75/385942875.db2.gz QRQMUROLCKNILE-ZJUUUORDSA-N 1 2 223.320 1.857 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000285566610 385943101 /nfs/dbraw/zinc/94/31/01/385943101.db2.gz NLQFTQBCVJDXTJ-LLVKDONJSA-N 1 2 249.310 1.751 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285566610 385943106 /nfs/dbraw/zinc/94/31/06/385943106.db2.gz NLQFTQBCVJDXTJ-LLVKDONJSA-N 1 2 249.310 1.751 20 0 BDADLO COC(C[NH2+][C@@H](C)c1c(F)cncc1F)OC ZINC000285572023 385944026 /nfs/dbraw/zinc/94/40/26/385944026.db2.gz HTCMRMODUYNGNX-ZETCQYMHSA-N 1 2 246.257 1.629 20 0 BDADLO COCC[N@H+](CC(F)F)C[C@@H](OC)C1CC1 ZINC000425395679 385946948 /nfs/dbraw/zinc/94/69/48/385946948.db2.gz OBJUOOIPWNRWOR-SNVBAGLBSA-N 1 2 237.290 1.625 20 0 BDADLO COCC[N@@H+](CC(F)F)C[C@@H](OC)C1CC1 ZINC000425395679 385946950 /nfs/dbraw/zinc/94/69/50/385946950.db2.gz OBJUOOIPWNRWOR-SNVBAGLBSA-N 1 2 237.290 1.625 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1CC1(F)F)Cn1cc[nH+]c1 ZINC000295028901 385948543 /nfs/dbraw/zinc/94/85/43/385948543.db2.gz RHHMTPWQQYZTFF-DTWKUNHWSA-N 1 2 243.257 1.291 20 0 BDADLO CC1(C)CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000643249919 385948782 /nfs/dbraw/zinc/94/87/82/385948782.db2.gz NAVMLYPINUPMIU-VIFPVBQESA-N 1 2 248.330 1.318 20 0 BDADLO CC1(C)CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000643249919 385948788 /nfs/dbraw/zinc/94/87/88/385948788.db2.gz NAVMLYPINUPMIU-VIFPVBQESA-N 1 2 248.330 1.318 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ccco1)c1nncn1C ZINC000285610812 385949025 /nfs/dbraw/zinc/94/90/25/385949025.db2.gz VVUAVBAFWWACMD-NSHDSACASA-N 1 2 234.303 1.895 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)s1 ZINC000338284632 385950432 /nfs/dbraw/zinc/95/04/32/385950432.db2.gz RUEKHHYOPCVEHE-WEDXCCLWSA-N 1 2 241.360 1.610 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)s1 ZINC000338284632 385950437 /nfs/dbraw/zinc/95/04/37/385950437.db2.gz RUEKHHYOPCVEHE-WEDXCCLWSA-N 1 2 241.360 1.610 20 0 BDADLO CO[C@H](C)Cn1c2ccccc2[nH+]c1NCCO ZINC000272933016 385953257 /nfs/dbraw/zinc/95/32/57/385953257.db2.gz TVGRJBRSZAAXBS-SNVBAGLBSA-N 1 2 249.314 1.475 20 0 BDADLO Cc1noc([C@H]2CCCCN2Cc2c[nH+]c[nH]2)n1 ZINC000285683204 385955392 /nfs/dbraw/zinc/95/53/92/385955392.db2.gz OAUVYYVXRLRRCN-LLVKDONJSA-N 1 2 247.302 1.828 20 0 BDADLO Cc1noc([C@H]2CCCCN2Cc2c[nH]c[nH+]2)n1 ZINC000285683204 385955398 /nfs/dbraw/zinc/95/53/98/385955398.db2.gz OAUVYYVXRLRRCN-LLVKDONJSA-N 1 2 247.302 1.828 20 0 BDADLO C[C@@H]1C[N@H+](C/C=C/c2ccncc2)C[C@H](CO)O1 ZINC000425991464 385958322 /nfs/dbraw/zinc/95/83/22/385958322.db2.gz VVNMKENACBQUOX-SDEBIZQBSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)C[C@H](CO)O1 ZINC000425991464 385958324 /nfs/dbraw/zinc/95/83/24/385958324.db2.gz VVNMKENACBQUOX-SDEBIZQBSA-N 1 2 248.326 1.176 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295100985 385966687 /nfs/dbraw/zinc/96/66/87/385966687.db2.gz GJVCWGMCILVAER-NEPJUHHUSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295100985 385966695 /nfs/dbraw/zinc/96/66/95/385966695.db2.gz GJVCWGMCILVAER-NEPJUHHUSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295100993 385967973 /nfs/dbraw/zinc/96/79/73/385967973.db2.gz GJVCWGMCILVAER-VXGBXAGGSA-N 1 2 249.358 1.817 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295100993 385967979 /nfs/dbraw/zinc/96/79/79/385967979.db2.gz GJVCWGMCILVAER-VXGBXAGGSA-N 1 2 249.358 1.817 20 0 BDADLO CC(=O)CC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285867959 385971652 /nfs/dbraw/zinc/97/16/52/385971652.db2.gz YTLGHWPBSSDMQH-SNVBAGLBSA-N 1 2 223.276 1.494 20 0 BDADLO CC(=O)CC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285867959 385971657 /nfs/dbraw/zinc/97/16/57/385971657.db2.gz YTLGHWPBSSDMQH-SNVBAGLBSA-N 1 2 223.276 1.494 20 0 BDADLO C[C@H]([NH2+]CC(=O)N(C)C)c1c(F)cncc1F ZINC000285885783 385974029 /nfs/dbraw/zinc/97/40/29/385974029.db2.gz YWHFMAYVYZZGKW-ZETCQYMHSA-N 1 2 243.257 1.099 20 0 BDADLO C[C@H](C1CCCCC1)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 ZINC000338344069 385974910 /nfs/dbraw/zinc/97/49/10/385974910.db2.gz OQGIPUVHKVHUBR-SECBINFHSA-N 1 2 238.335 1.911 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)C(=O)OC ZINC000336749736 385999309 /nfs/dbraw/zinc/99/93/09/385999309.db2.gz YWIFOWGKIWCXCS-UMNHJUIQSA-N 1 2 229.320 1.079 20 0 BDADLO CC(=O)[C@@H](C)SCCCn1cc[nH+]c1 ZINC000273518067 386010128 /nfs/dbraw/zinc/01/01/28/386010128.db2.gz YAZBQURBMGQSCI-SNVBAGLBSA-N 1 2 212.318 1.984 20 0 BDADLO Cc1sccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC000295378781 386023329 /nfs/dbraw/zinc/02/33/29/386023329.db2.gz OZNITNYCXILCIJ-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1sccc1C[N@H+]1CCNC(=O)C1(C)C ZINC000295378781 386023338 /nfs/dbraw/zinc/02/33/38/386023338.db2.gz OZNITNYCXILCIJ-UHFFFAOYSA-N 1 2 238.356 1.767 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000335060826 386025979 /nfs/dbraw/zinc/02/59/79/386025979.db2.gz ZXVISCMCPXWBNK-RYUDHWBXSA-N 1 2 248.326 1.740 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2CO[C@H](C)C2)c[nH+]1 ZINC000335060827 386027202 /nfs/dbraw/zinc/02/72/02/386027202.db2.gz ZXVISCMCPXWBNK-VXGBXAGGSA-N 1 2 248.326 1.740 20 0 BDADLO CCC[N@@H+]1CC(=O)NC12C[C@H](C)C[C@@H](C)C2 ZINC000414186704 386027961 /nfs/dbraw/zinc/02/79/61/386027961.db2.gz PQLPIABJSPCKBJ-GHMZBOCLSA-N 1 2 224.348 1.981 20 0 BDADLO CCC[N@H+]1CC(=O)NC12C[C@H](C)C[C@@H](C)C2 ZINC000414186704 386027964 /nfs/dbraw/zinc/02/79/64/386027964.db2.gz PQLPIABJSPCKBJ-GHMZBOCLSA-N 1 2 224.348 1.981 20 0 BDADLO Cc1nc2[nH]ccc2c(NCc2ccn(C)n2)[nH+]1 ZINC000345176077 386044198 /nfs/dbraw/zinc/04/41/98/386044198.db2.gz RDRHUPPGORITOI-UHFFFAOYSA-N 1 2 242.286 1.034 20 0 BDADLO CC[C@@H](NC(=O)Nc1cc[nH+]cc1C)[C@H](C)O ZINC000455030568 386050502 /nfs/dbraw/zinc/05/05/02/386050502.db2.gz DNQFSDKXSLGJRP-VHSXEESVSA-N 1 2 237.303 1.093 20 0 BDADLO FC(F)C[C@@H]1COCC[N@@H+]1Cc1cccnc1 ZINC000286559276 386051603 /nfs/dbraw/zinc/05/16/03/386051603.db2.gz TTYQALLOMCRYPK-LLVKDONJSA-N 1 2 242.269 1.938 20 0 BDADLO FC(F)C[C@@H]1COCC[N@H+]1Cc1cccnc1 ZINC000286559276 386051609 /nfs/dbraw/zinc/05/16/09/386051609.db2.gz TTYQALLOMCRYPK-LLVKDONJSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)CC[C@@H]1O ZINC000425433005 386052819 /nfs/dbraw/zinc/05/28/19/386052819.db2.gz MNLDUXNICCAMIM-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)CC[C@@H]1O ZINC000425433005 386052828 /nfs/dbraw/zinc/05/28/28/386052828.db2.gz MNLDUXNICCAMIM-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccncc1F ZINC000340508057 386054996 /nfs/dbraw/zinc/05/49/96/386054996.db2.gz IHXGWYKXKZZMNH-BDAKNGLRSA-N 1 2 249.293 1.761 20 0 BDADLO CC[C@H]1C[N@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000295230737 385995988 /nfs/dbraw/zinc/99/59/88/385995988.db2.gz CUYRDIDSNVOOBQ-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2conc2C)C[C@@H](C)O1 ZINC000295230737 385995990 /nfs/dbraw/zinc/99/59/90/385995990.db2.gz CUYRDIDSNVOOBQ-SKDRFNHKSA-N 1 2 224.304 1.982 20 0 BDADLO Cn1nccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295944930 386111242 /nfs/dbraw/zinc/11/12/42/386111242.db2.gz GQXIEPRFRBQRHF-LLVKDONJSA-N 1 2 211.284 1.744 20 0 BDADLO Cn1nccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000295944930 386111249 /nfs/dbraw/zinc/11/12/49/386111249.db2.gz GQXIEPRFRBQRHF-LLVKDONJSA-N 1 2 211.284 1.744 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1nccs1)CC2 ZINC000365463634 386112036 /nfs/dbraw/zinc/11/20/36/386112036.db2.gz PEGKAGNZVGMJIV-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](O)C[C@@H]1C ZINC000334456970 386112621 /nfs/dbraw/zinc/11/26/21/386112621.db2.gz BDSRBFWCVAWZNP-ONGXEEELSA-N 1 2 249.314 1.685 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(NC3CC3)[nH+]cn2)CO1 ZINC000645390929 386112778 /nfs/dbraw/zinc/11/27/78/386112778.db2.gz XOEDEZUDNRIJIX-SCZZXKLOSA-N 1 2 234.303 1.640 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(NC3CC3)nc[nH+]2)CO1 ZINC000645390929 386112779 /nfs/dbraw/zinc/11/27/79/386112779.db2.gz XOEDEZUDNRIJIX-SCZZXKLOSA-N 1 2 234.303 1.640 20 0 BDADLO CCc1nnc(C[N@H+](CC(C)(C)O)C2CC2)[nH]1 ZINC000189892850 386115188 /nfs/dbraw/zinc/11/51/88/386115188.db2.gz HWHVKBNLZVTWFK-UHFFFAOYSA-N 1 2 238.335 1.102 20 0 BDADLO CCc1nnc(C[N@@H+](CC(C)(C)O)C2CC2)[nH]1 ZINC000189892850 386115193 /nfs/dbraw/zinc/11/51/93/386115193.db2.gz HWHVKBNLZVTWFK-UHFFFAOYSA-N 1 2 238.335 1.102 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C1CC1)C1COC1 ZINC000295987454 386116420 /nfs/dbraw/zinc/11/64/20/386116420.db2.gz JZSSKOCQGZXTPJ-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C1CC1)C1COC1 ZINC000295987454 386116426 /nfs/dbraw/zinc/11/64/26/386116426.db2.gz JZSSKOCQGZXTPJ-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO CC1CCN(C(=O)C[N@@H+]2CC[C@](C)(F)C2)CC1 ZINC000334461242 386124207 /nfs/dbraw/zinc/12/42/07/386124207.db2.gz VPSNTNNZSHMESA-ZDUSSCGKSA-N 1 2 242.338 1.679 20 0 BDADLO CC1CCN(C(=O)C[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000334461242 386124214 /nfs/dbraw/zinc/12/42/14/386124214.db2.gz VPSNTNNZSHMESA-ZDUSSCGKSA-N 1 2 242.338 1.679 20 0 BDADLO Cc1cc(N2CCSC[C@@H]2C)nc[nH+]1 ZINC000336000036 386120252 /nfs/dbraw/zinc/12/02/52/386120252.db2.gz LXRHKHXXMYWWHQ-VIFPVBQESA-N 1 2 209.318 1.727 20 0 BDADLO CCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000274036295 386064557 /nfs/dbraw/zinc/06/45/57/386064557.db2.gz YZXNJQZQEVZJQG-UHFFFAOYSA-N 1 2 203.245 1.926 20 0 BDADLO CC[N@H+](Cc1nc(C(F)F)no1)[C@@H]1CCOC1 ZINC000425440165 386065508 /nfs/dbraw/zinc/06/55/08/386065508.db2.gz CYLDTNGXWCMTEQ-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO CC[N@@H+](Cc1nc(C(F)F)no1)[C@@H]1CCOC1 ZINC000425440165 386065519 /nfs/dbraw/zinc/06/55/19/386065519.db2.gz CYLDTNGXWCMTEQ-SSDOTTSWSA-N 1 2 247.245 1.618 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)C1(CO)CCC1 ZINC000425442698 386076502 /nfs/dbraw/zinc/07/65/02/386076502.db2.gz IFPPTHMHCPQXQP-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)C1(CO)CCC1 ZINC000425442698 386076503 /nfs/dbraw/zinc/07/65/03/386076503.db2.gz IFPPTHMHCPQXQP-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO Cc1c(C[N@@H+]2CCC[C@@](F)(CO)C2)cnn1C ZINC000286909040 386084292 /nfs/dbraw/zinc/08/42/92/386084292.db2.gz MDZVDWYQHFBBCP-LBPRGKRZSA-N 1 2 241.310 1.025 20 0 BDADLO Cc1c(C[N@H+]2CCC[C@@](F)(CO)C2)cnn1C ZINC000286909040 386084297 /nfs/dbraw/zinc/08/42/97/386084297.db2.gz MDZVDWYQHFBBCP-LBPRGKRZSA-N 1 2 241.310 1.025 20 0 BDADLO CCC[C@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295808745 386089483 /nfs/dbraw/zinc/08/94/83/386089483.db2.gz SLDUNASRZVBBPV-JTQLQIEISA-N 1 2 223.320 1.955 20 0 BDADLO C[C@@H]1[C@@H](NCc2ccco2)CCC[N@H+]1C ZINC000336772962 386090414 /nfs/dbraw/zinc/09/04/14/386090414.db2.gz YNOQDFZQENWEEB-PWSUYJOCSA-N 1 2 208.305 1.852 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCc1cscn1 ZINC000295891959 386100328 /nfs/dbraw/zinc/10/03/28/386100328.db2.gz DOOQVJFQEGJECP-MRVPVSSYSA-N 1 2 228.317 1.179 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cscn1 ZINC000295891959 386100334 /nfs/dbraw/zinc/10/03/34/386100334.db2.gz DOOQVJFQEGJECP-MRVPVSSYSA-N 1 2 228.317 1.179 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)o1 ZINC000190078339 386146211 /nfs/dbraw/zinc/14/62/11/386146211.db2.gz KKYVQZGTAUHSBN-SNVBAGLBSA-N 1 2 236.315 1.505 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)o1 ZINC000190078339 386146216 /nfs/dbraw/zinc/14/62/16/386146216.db2.gz KKYVQZGTAUHSBN-SNVBAGLBSA-N 1 2 236.315 1.505 20 0 BDADLO COc1ccccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000190085649 386146841 /nfs/dbraw/zinc/14/68/41/386146841.db2.gz RSBTUWJKPSIILZ-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO COc1ccccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000190085649 386146845 /nfs/dbraw/zinc/14/68/45/386146845.db2.gz RSBTUWJKPSIILZ-LLVKDONJSA-N 1 2 248.326 1.358 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)o1 ZINC000190093272 386146912 /nfs/dbraw/zinc/14/69/12/386146912.db2.gz QBXOFAXDAUVHOX-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)o1 ZINC000190093272 386146915 /nfs/dbraw/zinc/14/69/15/386146915.db2.gz QBXOFAXDAUVHOX-JTQLQIEISA-N 1 2 222.288 1.251 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000287794108 386147492 /nfs/dbraw/zinc/14/74/92/386147492.db2.gz WDXWIAZLYGASAE-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335153205 386148309 /nfs/dbraw/zinc/14/83/09/386148309.db2.gz FSCIQDCDCILUJX-IUCAKERBSA-N 1 2 209.318 1.408 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335153205 386148311 /nfs/dbraw/zinc/14/83/11/386148311.db2.gz FSCIQDCDCILUJX-IUCAKERBSA-N 1 2 209.318 1.408 20 0 BDADLO CCC[C@@]1(NC(=O)c2c[nH+]c(C)[nH]2)CCOC1 ZINC000287826555 386151142 /nfs/dbraw/zinc/15/11/42/386151142.db2.gz LDXYETGPUFMQEQ-GFCCVEGCSA-N 1 2 237.303 1.407 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nnn(C)n2)CC12CCC2 ZINC000440781101 386152915 /nfs/dbraw/zinc/15/29/15/386152915.db2.gz SAMDUIMJTGAIRC-JTQLQIEISA-N 1 2 235.335 1.222 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nnn(C)n2)CC12CCC2 ZINC000440781101 386152921 /nfs/dbraw/zinc/15/29/21/386152921.db2.gz SAMDUIMJTGAIRC-JTQLQIEISA-N 1 2 235.335 1.222 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000274824826 386153702 /nfs/dbraw/zinc/15/37/02/386153702.db2.gz FSKQAXORBMWNHM-VXGBXAGGSA-N 1 2 247.342 1.902 20 0 BDADLO Cn1c2c(cccc2F)[nH]c1=[NH+][C@@H]1CC[C@H]1O ZINC000335159345 386155138 /nfs/dbraw/zinc/15/51/38/386155138.db2.gz NYAGKHAURARANR-PSASIEDQSA-N 1 2 235.262 1.070 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H](O)CC2)cc[nH+]1 ZINC000338838085 386155472 /nfs/dbraw/zinc/15/54/72/386155472.db2.gz WDWUBZMVSAODPM-LLVKDONJSA-N 1 2 235.331 1.951 20 0 BDADLO CO[C@@H](C[N@H+]1CC(=O)N[C@H](C)C1)c1ccccc1 ZINC000296259056 386156999 /nfs/dbraw/zinc/15/69/99/386156999.db2.gz PRQWOLCPXIXVRY-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C[N@@H+]1CC(=O)N[C@H](C)C1)c1ccccc1 ZINC000296259056 386157001 /nfs/dbraw/zinc/15/70/01/386157001.db2.gz PRQWOLCPXIXVRY-YPMHNXCESA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cn2cc(NC(=O)[C@@H]3CCOC3)ccc2[nH+]1 ZINC000263750422 386172154 /nfs/dbraw/zinc/17/21/54/386172154.db2.gz CBIINSWRAXKWEJ-SNVBAGLBSA-N 1 2 245.282 1.618 20 0 BDADLO Cc1nc(N(C)CCc2cccs2)nc(N)[nH+]1 ZINC000310275666 386173513 /nfs/dbraw/zinc/17/35/13/386173513.db2.gz UTHXGAVQNHKHTG-UHFFFAOYSA-N 1 2 249.343 1.503 20 0 BDADLO Cc1nc(N)nc(N(C)CCc2cccs2)[nH+]1 ZINC000310275666 386173517 /nfs/dbraw/zinc/17/35/17/386173517.db2.gz UTHXGAVQNHKHTG-UHFFFAOYSA-N 1 2 249.343 1.503 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000263769120 386175668 /nfs/dbraw/zinc/17/56/68/386175668.db2.gz JNFNHALJKKLBBO-STQMWFEESA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000263769120 386175671 /nfs/dbraw/zinc/17/56/71/386175671.db2.gz JNFNHALJKKLBBO-STQMWFEESA-N 1 2 248.326 1.324 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000414373355 386175806 /nfs/dbraw/zinc/17/58/06/386175806.db2.gz RRJMWLXVRSFHNV-JTQLQIEISA-N 1 2 221.304 1.260 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000414373355 386175809 /nfs/dbraw/zinc/17/58/09/386175809.db2.gz RRJMWLXVRSFHNV-JTQLQIEISA-N 1 2 221.304 1.260 20 0 BDADLO CCc1ncc(C[N@H+]2CCOC[C@@H]2CC)cn1 ZINC000414373292 386175874 /nfs/dbraw/zinc/17/58/74/386175874.db2.gz RJTCLBWAGTYVAA-LBPRGKRZSA-N 1 2 235.331 1.650 20 0 BDADLO CCc1ncc(C[N@@H+]2CCOC[C@@H]2CC)cn1 ZINC000414373292 386175877 /nfs/dbraw/zinc/17/58/77/386175877.db2.gz RJTCLBWAGTYVAA-LBPRGKRZSA-N 1 2 235.331 1.650 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)NC2CC2)nc1 ZINC000338913930 386176908 /nfs/dbraw/zinc/17/69/08/386176908.db2.gz BMIGUDGNASTUJO-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)NC2CC2)nc1 ZINC000338913930 386176914 /nfs/dbraw/zinc/17/69/14/386176914.db2.gz BMIGUDGNASTUJO-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CC(=O)c1cccc(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000296497332 386179234 /nfs/dbraw/zinc/17/92/34/386179234.db2.gz LJINEOWZLKLENR-UHFFFAOYSA-N 1 2 248.326 1.585 20 0 BDADLO CC(=O)c1cccc(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000296497332 386179238 /nfs/dbraw/zinc/17/92/38/386179238.db2.gz LJINEOWZLKLENR-UHFFFAOYSA-N 1 2 248.326 1.585 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1ncc(Cl)n1C ZINC000263808972 386180703 /nfs/dbraw/zinc/18/07/03/386180703.db2.gz MGBVPCUBNZOUPB-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cncc(F)c1 ZINC000275117381 386183497 /nfs/dbraw/zinc/18/34/97/386183497.db2.gz IHUNAIPDAKGESL-JDNHERCYSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cncc(F)c1 ZINC000275117381 386183501 /nfs/dbraw/zinc/18/35/01/386183501.db2.gz IHUNAIPDAKGESL-JDNHERCYSA-N 1 2 244.335 1.420 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC23CC3)c(C)c[nH+]1 ZINC000643311667 386188348 /nfs/dbraw/zinc/18/83/48/386188348.db2.gz GLMPVXRHDQIUIY-SNVBAGLBSA-N 1 2 216.284 1.859 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000274605448 386126462 /nfs/dbraw/zinc/12/64/62/386126462.db2.gz OFSPDFZJKIOZJE-UWVGGRQHSA-N 1 2 221.304 1.328 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC1CCC1 ZINC000287493786 386129574 /nfs/dbraw/zinc/12/95/74/386129574.db2.gz ZTDWMJAXBPYKPI-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000274655115 386136727 /nfs/dbraw/zinc/13/67/27/386136727.db2.gz FKAOVQAPSVOMND-DTWKUNHWSA-N 1 2 207.277 1.318 20 0 BDADLO C[C@H]1CCN(c2ncnn2C)C[C@H]1n1cc[nH+]c1 ZINC000647872449 386138297 /nfs/dbraw/zinc/13/82/97/386138297.db2.gz CDEXNVRUKVMBBH-WDEREUQCSA-N 1 2 246.318 1.099 20 0 BDADLO Cc1cncc(C[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000189987991 386139329 /nfs/dbraw/zinc/13/93/29/386139329.db2.gz XXNYHOOGZKECGT-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cncc(C[N@@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000189987991 386139337 /nfs/dbraw/zinc/13/93/37/386139337.db2.gz XXNYHOOGZKECGT-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)NCCCO ZINC000287683836 386141034 /nfs/dbraw/zinc/14/10/34/386141034.db2.gz YKUIIKMXFIQMFJ-UHFFFAOYSA-N 1 2 223.276 1.202 20 0 BDADLO Cc1ccc(C[NH+]2CC(n3ccnn3)C2)o1 ZINC000334471236 386143527 /nfs/dbraw/zinc/14/35/27/386143527.db2.gz JBEROWVTZYOHSA-UHFFFAOYSA-N 1 2 218.260 1.236 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000428083859 386201304 /nfs/dbraw/zinc/20/13/04/386201304.db2.gz LPMTXZMCLCSJTC-FOUMNBMASA-N 1 2 245.326 1.360 20 0 BDADLO Cc1nnc(NCc2cn3c(cccc3C)[nH+]2)o1 ZINC000275317861 386202828 /nfs/dbraw/zinc/20/28/28/386202828.db2.gz CWSFJLAQZUTERH-UHFFFAOYSA-N 1 2 243.270 1.946 20 0 BDADLO Cn1nccc1C[NH2+]Cc1noc2c1CCCC2 ZINC000288462942 386205435 /nfs/dbraw/zinc/20/54/35/386205435.db2.gz OFMQZXDYUVTLJJ-UHFFFAOYSA-N 1 2 246.314 1.577 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C(C)C)no1 ZINC000336649438 386259594 /nfs/dbraw/zinc/25/95/94/386259594.db2.gz GZCAIPOGXJXVKQ-SECBINFHSA-N 1 2 227.308 1.660 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000336649438 386259600 /nfs/dbraw/zinc/25/96/00/386259600.db2.gz GZCAIPOGXJXVKQ-SECBINFHSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1ccc(C[NH+]2CC(O)(COC)C2)o1 ZINC000297471159 386259661 /nfs/dbraw/zinc/25/96/61/386259661.db2.gz IUOKMOYPULBXCP-UHFFFAOYSA-N 1 2 225.288 1.035 20 0 BDADLO COC(=O)C[N@H+](CCOC1CCC1)C1CC1 ZINC000347079576 386216719 /nfs/dbraw/zinc/21/67/19/386216719.db2.gz REWIAGONAPTQCS-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@@H+](CCOC1CCC1)C1CC1 ZINC000347079576 386216723 /nfs/dbraw/zinc/21/67/23/386216723.db2.gz REWIAGONAPTQCS-UHFFFAOYSA-N 1 2 227.304 1.193 20 0 BDADLO C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@@H]1CCOC1 ZINC000225816039 386220696 /nfs/dbraw/zinc/22/06/96/386220696.db2.gz WWWTVENFCBWBHW-NKWVEPMBSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@H](Nc1[nH+]cnc(N)c1Cl)[C@@H]1CCOC1 ZINC000225816039 386220699 /nfs/dbraw/zinc/22/06/99/386220699.db2.gz WWWTVENFCBWBHW-NKWVEPMBSA-N 1 2 242.710 1.549 20 0 BDADLO Cc1cnccc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000297071511 386223453 /nfs/dbraw/zinc/22/34/53/386223453.db2.gz ZNSLVMNIZDFXBA-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1cnccc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000297071511 386223458 /nfs/dbraw/zinc/22/34/58/386223458.db2.gz ZNSLVMNIZDFXBA-NSHDSACASA-N 1 2 233.315 1.053 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCO[C@H](C)C2)no1 ZINC000408360087 386225541 /nfs/dbraw/zinc/22/55/41/386225541.db2.gz RUGVJGLJTGMWLG-KOLCDFICSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCO[C@H](C)C2)no1 ZINC000408360087 386225544 /nfs/dbraw/zinc/22/55/44/386225544.db2.gz RUGVJGLJTGMWLG-KOLCDFICSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)co1 ZINC000275697152 386229336 /nfs/dbraw/zinc/22/93/36/386229336.db2.gz QGOKIROSAHAOQG-VIFPVBQESA-N 1 2 233.271 1.603 20 0 BDADLO CO[C@@H](CC(C)C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000416158337 386230198 /nfs/dbraw/zinc/23/01/98/386230198.db2.gz KMWROYLMJOWABP-JTQLQIEISA-N 1 2 239.319 1.429 20 0 BDADLO CCC[C@](C)(O)C(=O)NCc1[nH+]ccn1CC ZINC000297167291 386231706 /nfs/dbraw/zinc/23/17/06/386231706.db2.gz KFVNHLYPKCOLNG-LBPRGKRZSA-N 1 2 239.319 1.070 20 0 BDADLO COCc1cc(C[NH+]2CCC(CO)CC2)no1 ZINC000090255585 386238889 /nfs/dbraw/zinc/23/88/89/386238889.db2.gz AYXXSAMZIFHDQY-UHFFFAOYSA-N 1 2 240.303 1.025 20 0 BDADLO O=C1OCC[C@H]1[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264470252 386238963 /nfs/dbraw/zinc/23/89/63/386238963.db2.gz QUGXXSFTBZXRST-ZWNOBZJWSA-N 1 2 249.285 1.931 20 0 BDADLO O=C1OCC[C@H]1[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264470252 386238968 /nfs/dbraw/zinc/23/89/68/386238968.db2.gz QUGXXSFTBZXRST-ZWNOBZJWSA-N 1 2 249.285 1.931 20 0 BDADLO O=c1sccn1CCCn1cc[nH+]c1 ZINC000164738614 386260772 /nfs/dbraw/zinc/26/07/72/386260772.db2.gz LOBLMDHZCJKOPN-UHFFFAOYSA-N 1 2 209.274 1.197 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC1=CCCCC1 ZINC000264500250 386243975 /nfs/dbraw/zinc/24/39/75/386243975.db2.gz ZRGVARURVRQNHU-UHFFFAOYSA-N 1 2 233.315 1.927 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)CCOC1CCC1 ZINC000347091548 386244132 /nfs/dbraw/zinc/24/41/32/386244132.db2.gz QFOMFDMAFQWKTK-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)CCOC1CCC1 ZINC000347091548 386244138 /nfs/dbraw/zinc/24/41/38/386244138.db2.gz QFOMFDMAFQWKTK-SECBINFHSA-N 1 2 215.293 1.049 20 0 BDADLO CCc1ccc(OC(=O)C[NH+](C)C)c(OC)c1 ZINC000275958613 386254752 /nfs/dbraw/zinc/25/47/52/386254752.db2.gz HXLNCEFTLWBUKZ-UHFFFAOYSA-N 1 2 237.299 1.725 20 0 BDADLO CC(=O)NC1C[NH+](Cc2sccc2C)C1 ZINC000297415977 386254871 /nfs/dbraw/zinc/25/48/71/386254871.db2.gz LXNGYWUCOCTRGH-UHFFFAOYSA-N 1 2 224.329 1.377 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000264679339 386261384 /nfs/dbraw/zinc/26/13/84/386261384.db2.gz TVXRTUVGLZIHDP-JTQLQIEISA-N 1 2 247.298 1.353 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2cccs2)C1 ZINC000275289615 386199888 /nfs/dbraw/zinc/19/98/88/386199888.db2.gz WWWUQDUCGCJTQT-UHFFFAOYSA-N 1 2 224.329 1.571 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC=C(c3ccco3)C2)n1 ZINC000289356944 386290588 /nfs/dbraw/zinc/29/05/88/386290588.db2.gz IDKBTYJGBFGSKC-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO Cn1ncc(C[N@H+]2CCC=C(c3ccco3)C2)n1 ZINC000289356944 386290596 /nfs/dbraw/zinc/29/05/96/386290596.db2.gz IDKBTYJGBFGSKC-UHFFFAOYSA-N 1 2 244.298 1.697 20 0 BDADLO CC(C)[N@H+](CC(F)F)CC1(C)COC1 ZINC000336668592 386300571 /nfs/dbraw/zinc/30/05/71/386300571.db2.gz BPHUPQNCXRKTPI-UHFFFAOYSA-N 1 2 207.264 1.998 20 0 BDADLO CC(C)[N@@H+](CC(F)F)CC1(C)COC1 ZINC000336668592 386300574 /nfs/dbraw/zinc/30/05/74/386300574.db2.gz BPHUPQNCXRKTPI-UHFFFAOYSA-N 1 2 207.264 1.998 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCc1ccco1 ZINC000298132832 386300927 /nfs/dbraw/zinc/30/09/27/386300927.db2.gz AETLQOGUZZWGEW-UHFFFAOYSA-N 1 2 247.298 1.604 20 0 BDADLO COC(=O)[C@@H]1CC[N@H+](Cc2cn[nH]c2C)[C@H]1C ZINC000347261303 386307512 /nfs/dbraw/zinc/30/75/12/386307512.db2.gz LVJHEYIXZSEERX-GXSJLCMTSA-N 1 2 237.303 1.102 20 0 BDADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)[C@H]1C ZINC000347261303 386307515 /nfs/dbraw/zinc/30/75/15/386307515.db2.gz LVJHEYIXZSEERX-GXSJLCMTSA-N 1 2 237.303 1.102 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC23CCCC3)nn1 ZINC000414405263 386317661 /nfs/dbraw/zinc/31/76/61/386317661.db2.gz IYQSFRAFQDTGAL-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC23CCCC3)nn1 ZINC000414405263 386317668 /nfs/dbraw/zinc/31/76/68/386317668.db2.gz IYQSFRAFQDTGAL-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO CO[C@H]1C[N@H+](Cc2cnns2)CC[C@@H]1C ZINC000336675025 386320904 /nfs/dbraw/zinc/32/09/04/386320904.db2.gz HFRRVCJUYHEWCH-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1C ZINC000336675025 386320910 /nfs/dbraw/zinc/32/09/10/386320910.db2.gz HFRRVCJUYHEWCH-WPRPVWTQSA-N 1 2 227.333 1.395 20 0 BDADLO CCCCc1noc(C[N@H+](C)C[C@@H](C)OC)n1 ZINC000336679364 386321101 /nfs/dbraw/zinc/32/11/01/386321101.db2.gz ARJQFXDOOLUNQH-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO CCCCc1noc(C[N@@H+](C)C[C@@H](C)OC)n1 ZINC000336679364 386321107 /nfs/dbraw/zinc/32/11/07/386321107.db2.gz ARJQFXDOOLUNQH-SNVBAGLBSA-N 1 2 241.335 1.879 20 0 BDADLO COC(=O)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000264679340 386261675 /nfs/dbraw/zinc/26/16/75/386261675.db2.gz TVXRTUVGLZIHDP-SNVBAGLBSA-N 1 2 247.298 1.353 20 0 BDADLO Nc1[nH+]cnc(NC[C@@H]2CCCOC2)c1Cl ZINC000236392060 386262130 /nfs/dbraw/zinc/26/21/30/386262130.db2.gz KKJUBNPQPIOLIU-ZETCQYMHSA-N 1 2 242.710 1.551 20 0 BDADLO Nc1nc[nH+]c(NC[C@@H]2CCCOC2)c1Cl ZINC000236392060 386262133 /nfs/dbraw/zinc/26/21/33/386262133.db2.gz KKJUBNPQPIOLIU-ZETCQYMHSA-N 1 2 242.710 1.551 20 0 BDADLO CCC1(CC)C[NH+](Cc2cn(C)nn2)C1 ZINC000336655169 386272860 /nfs/dbraw/zinc/27/28/60/386272860.db2.gz GFVXBIGXNZASRP-UHFFFAOYSA-N 1 2 208.309 1.437 20 0 BDADLO Cc1ccnc(C[N@H+](C)CCn2cccn2)n1 ZINC000336682200 386340579 /nfs/dbraw/zinc/34/05/79/386340579.db2.gz CZVUMARSRQPHEW-UHFFFAOYSA-N 1 2 231.303 1.114 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CCn2cccn2)n1 ZINC000336682200 386340583 /nfs/dbraw/zinc/34/05/83/386340583.db2.gz CZVUMARSRQPHEW-UHFFFAOYSA-N 1 2 231.303 1.114 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(Cl)cnn2C)C1 ZINC000289667669 386340608 /nfs/dbraw/zinc/34/06/08/386340608.db2.gz YYAGUKZBACJBOS-DTORHVGOSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(Cl)cnn2C)C1 ZINC000289667669 386340612 /nfs/dbraw/zinc/34/06/12/386340612.db2.gz YYAGUKZBACJBOS-DTORHVGOSA-N 1 2 243.738 1.683 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H](C)O1 ZINC000336682245 386342116 /nfs/dbraw/zinc/34/21/16/386342116.db2.gz DBXUKDADSPIRHD-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H](C)O1 ZINC000336682245 386342122 /nfs/dbraw/zinc/34/21/22/386342122.db2.gz DBXUKDADSPIRHD-AAEUAGOBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1noc(C)c1CC[N@@H+](C)Cc1ccon1 ZINC000336688457 386351676 /nfs/dbraw/zinc/35/16/76/386351676.db2.gz HJBITJBIMINENS-UHFFFAOYSA-N 1 2 235.287 1.954 20 0 BDADLO Cc1noc(C)c1CC[N@H+](C)Cc1ccon1 ZINC000336688457 386351680 /nfs/dbraw/zinc/35/16/80/386351680.db2.gz HJBITJBIMINENS-UHFFFAOYSA-N 1 2 235.287 1.954 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276622223 386353942 /nfs/dbraw/zinc/35/39/42/386353942.db2.gz UDEUNCSWIDGKDG-GHMZBOCLSA-N 1 2 223.320 1.824 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000276621452 386354480 /nfs/dbraw/zinc/35/44/80/386354480.db2.gz KUYFWFXQVXXDPN-SNVBAGLBSA-N 1 2 223.320 1.815 20 0 BDADLO CC(C)[C@H](NC(=O)c1cnccn1)c1[nH]cc[nH+]1 ZINC000276624745 386354904 /nfs/dbraw/zinc/35/49/04/386354904.db2.gz OQFCLSLSCXBIHV-JTQLQIEISA-N 1 2 245.286 1.327 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccccn1)c1[nH]cc[nH+]1 ZINC000276624606 386355234 /nfs/dbraw/zinc/35/52/34/386355234.db2.gz ONIHABWAQJCDKZ-NSHDSACASA-N 1 2 244.298 1.932 20 0 BDADLO CC(C)[C@H](NC(=O)c1ccnnc1)c1[nH]cc[nH+]1 ZINC000276629698 386357646 /nfs/dbraw/zinc/35/76/46/386357646.db2.gz PESGQYINLZDELE-JTQLQIEISA-N 1 2 245.286 1.327 20 0 BDADLO CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000276649963 386359871 /nfs/dbraw/zinc/35/98/71/386359871.db2.gz RVFBSURGUMPLNO-ZJUUUORDSA-N 1 2 237.303 1.260 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[C@H]1C ZINC000298581856 386361261 /nfs/dbraw/zinc/36/12/61/386361261.db2.gz MTCFTGROTWZDSN-GMTAPVOTSA-N 1 2 236.319 1.227 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cc[nH]n2)cnn1C ZINC000336691777 386363036 /nfs/dbraw/zinc/36/30/36/386363036.db2.gz CFNRGYVPXCBJOB-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cc[nH]n2)cnn1C ZINC000336691777 386363043 /nfs/dbraw/zinc/36/30/43/386363043.db2.gz CFNRGYVPXCBJOB-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO COC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000298711323 386372850 /nfs/dbraw/zinc/37/28/50/386372850.db2.gz HMZRSGKQJKKVGD-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO COC(=O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000298711323 386372856 /nfs/dbraw/zinc/37/28/56/386372856.db2.gz HMZRSGKQJKKVGD-UHFFFAOYSA-N 1 2 248.326 1.372 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](C2CC2)O1 ZINC000334495216 386373309 /nfs/dbraw/zinc/37/33/09/386373309.db2.gz GCEXHMUYVAAJJY-CMPLNLGQSA-N 1 2 235.331 1.419 20 0 BDADLO C[C@@H](CNC(=O)C1CC1)Cn1cc[nH+]c1 ZINC000265801744 386373496 /nfs/dbraw/zinc/37/34/96/386373496.db2.gz XHFRJQURZLZPMW-VIFPVBQESA-N 1 2 207.277 1.045 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ncc(C)o3)C2)c1 ZINC000289934144 386374469 /nfs/dbraw/zinc/37/44/69/386374469.db2.gz PETFYKJHOZVXOP-LBPRGKRZSA-N 1 2 246.314 1.935 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3ncc(C)o3)C2)c1 ZINC000289934144 386374476 /nfs/dbraw/zinc/37/44/76/386374476.db2.gz PETFYKJHOZVXOP-LBPRGKRZSA-N 1 2 246.314 1.935 20 0 BDADLO CC[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)OC ZINC000336697763 386380726 /nfs/dbraw/zinc/38/07/26/386380726.db2.gz QDAMAUJWPZZFOW-WCABBAIRSA-N 1 2 215.293 1.095 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276866830 386384926 /nfs/dbraw/zinc/38/49/26/386384926.db2.gz CCHGXPUPPKZFTE-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1ccnc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276866830 386384933 /nfs/dbraw/zinc/38/49/33/386384933.db2.gz CCHGXPUPPKZFTE-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO CCC[C@](C)([NH2+]CCC(C)(C)O)C(=O)OC ZINC000336731731 386328088 /nfs/dbraw/zinc/32/80/88/386328088.db2.gz IXDWMHIKDGIPHO-LBPRGKRZSA-N 1 2 231.336 1.469 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347330173 386328334 /nfs/dbraw/zinc/32/83/34/386328334.db2.gz FFSYFJQPGVEQCK-VHSXEESVSA-N 1 2 207.264 1.531 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000347330173 386328342 /nfs/dbraw/zinc/32/83/42/386328342.db2.gz FFSYFJQPGVEQCK-VHSXEESVSA-N 1 2 207.264 1.531 20 0 BDADLO Cc1ccncc1CCC[N@H+]1CCN(C)C(=O)C1 ZINC000289577218 386328547 /nfs/dbraw/zinc/32/85/47/386328547.db2.gz HDZMWWGTBWZDHU-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO Cc1ccncc1CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000289577218 386328559 /nfs/dbraw/zinc/32/85/59/386328559.db2.gz HDZMWWGTBWZDHU-UHFFFAOYSA-N 1 2 247.342 1.097 20 0 BDADLO CCC[C@@H](O)CSc1nc(N)cc(CC)[nH+]1 ZINC000298346917 386328602 /nfs/dbraw/zinc/32/86/02/386328602.db2.gz SPZSFYBELHUFIB-SECBINFHSA-N 1 2 241.360 1.874 20 0 BDADLO C[N@@H+](Cc1csnn1)C[C@@H]1CCOC1 ZINC000336683442 386329638 /nfs/dbraw/zinc/32/96/38/386329638.db2.gz IWKPRSCQICJPGS-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO C[N@H+](Cc1csnn1)C[C@@H]1CCOC1 ZINC000336683442 386329643 /nfs/dbraw/zinc/32/96/43/386329643.db2.gz IWKPRSCQICJPGS-QMMMGPOBSA-N 1 2 213.306 1.006 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cs1 ZINC000336680508 386333191 /nfs/dbraw/zinc/33/31/91/386333191.db2.gz QPTNCDIXTANKRR-WCBMZHEXSA-N 1 2 242.344 1.245 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](O)C[C@@H]2C)cs1 ZINC000336680508 386333193 /nfs/dbraw/zinc/33/31/93/386333193.db2.gz QPTNCDIXTANKRR-WCBMZHEXSA-N 1 2 242.344 1.245 20 0 BDADLO c1nc(NC[C@@H]2CCCO2)cc(NCC2CC2)[nH+]1 ZINC000265447381 386338249 /nfs/dbraw/zinc/33/82/49/386338249.db2.gz SDLQCZIRYDTPSA-NSHDSACASA-N 1 2 248.330 1.889 20 0 BDADLO c1nc(NCC2CC2)cc(NC[C@@H]2CCCO2)[nH+]1 ZINC000265447381 386338257 /nfs/dbraw/zinc/33/82/57/386338257.db2.gz SDLQCZIRYDTPSA-NSHDSACASA-N 1 2 248.330 1.889 20 0 BDADLO CCN(C)C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000299365386 386444992 /nfs/dbraw/zinc/44/49/92/386444992.db2.gz JUGJYYAXUWVXOH-SNVBAGLBSA-N 1 2 224.304 1.751 20 0 BDADLO CCN(C)C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000299365386 386444998 /nfs/dbraw/zinc/44/49/98/386444998.db2.gz JUGJYYAXUWVXOH-SNVBAGLBSA-N 1 2 224.304 1.751 20 0 BDADLO CC[C@H](CNC(=O)Nc1cc[nH+]cc1C)OC ZINC000290050251 386388262 /nfs/dbraw/zinc/38/82/62/386388262.db2.gz HBLAHSRBPQZROA-SNVBAGLBSA-N 1 2 237.303 1.937 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccncc1 ZINC000266043024 386392989 /nfs/dbraw/zinc/39/29/89/386392989.db2.gz WQITULKSMDOBRE-OHUAYANFSA-N 1 2 238.356 1.423 20 0 BDADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccncc1 ZINC000266043024 386392991 /nfs/dbraw/zinc/39/29/91/386392991.db2.gz WQITULKSMDOBRE-OHUAYANFSA-N 1 2 238.356 1.423 20 0 BDADLO Cc1cnn([C@H]2CC[N@@H+](Cc3nccn3C)C2)c1 ZINC000290088703 386393790 /nfs/dbraw/zinc/39/37/90/386393790.db2.gz ZKYYMGBWDVJOCE-LBPRGKRZSA-N 1 2 245.330 1.372 20 0 BDADLO Cc1cnn([C@H]2CC[N@H+](Cc3nccn3C)C2)c1 ZINC000290088703 386393795 /nfs/dbraw/zinc/39/37/95/386393795.db2.gz ZKYYMGBWDVJOCE-LBPRGKRZSA-N 1 2 245.330 1.372 20 0 BDADLO C[C@@H](CNC(=O)C1CCCC1)Cn1cc[nH+]c1 ZINC000266073698 386395688 /nfs/dbraw/zinc/39/56/88/386395688.db2.gz JFWFAKPUQXIAPP-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO CO[C@@H](C)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000182199881 386397245 /nfs/dbraw/zinc/39/72/45/386397245.db2.gz LRACFGFMBCQSJC-VIFPVBQESA-N 1 2 239.319 1.772 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(CC(C)C)no1 ZINC000336705913 386397753 /nfs/dbraw/zinc/39/77/53/386397753.db2.gz ODGHJEIVFWZUED-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(CC(C)C)no1 ZINC000336705913 386397760 /nfs/dbraw/zinc/39/77/60/386397760.db2.gz ODGHJEIVFWZUED-UHFFFAOYSA-N 1 2 241.335 1.736 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000414426310 386403136 /nfs/dbraw/zinc/40/31/36/386403136.db2.gz CIVAIGNCBVUTOV-CYBMUJFWSA-N 1 2 247.342 1.650 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000414426310 386403138 /nfs/dbraw/zinc/40/31/38/386403138.db2.gz CIVAIGNCBVUTOV-CYBMUJFWSA-N 1 2 247.342 1.650 20 0 BDADLO CC(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266158912 386404955 /nfs/dbraw/zinc/40/49/55/386404955.db2.gz WUTIEBQTXLUQMI-UHFFFAOYSA-N 1 2 203.245 1.929 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000266164048 386405441 /nfs/dbraw/zinc/40/54/41/386405441.db2.gz OTMJQTXYMWTLBO-LBPRGKRZSA-N 1 2 235.287 1.308 20 0 BDADLO CC[C@@H](F)C[N@H+](CC(=O)OC)C1CCOCC1 ZINC000519376167 386421965 /nfs/dbraw/zinc/42/19/65/386421965.db2.gz DEPTWNCBWWNZHZ-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO CC[C@@H](F)C[N@@H+](CC(=O)OC)C1CCOCC1 ZINC000519376167 386421973 /nfs/dbraw/zinc/42/19/73/386421973.db2.gz DEPTWNCBWWNZHZ-SNVBAGLBSA-N 1 2 247.310 1.389 20 0 BDADLO COC[C@@H](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000339432777 386423771 /nfs/dbraw/zinc/42/37/71/386423771.db2.gz IZAKIKLZJVRDAC-JTQLQIEISA-N 1 2 239.319 1.051 20 0 BDADLO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)C1 ZINC000237969241 386427384 /nfs/dbraw/zinc/42/73/84/386427384.db2.gz XFJKNZODWMZZOW-JGVFFNPUSA-N 1 2 245.286 1.024 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOC3(CCCC3)C2)n1 ZINC000336713262 386431127 /nfs/dbraw/zinc/43/11/27/386431127.db2.gz PHEREXNSAFWQEG-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOC3(CCCC3)C2)n1 ZINC000336713262 386431131 /nfs/dbraw/zinc/43/11/31/386431131.db2.gz PHEREXNSAFWQEG-UHFFFAOYSA-N 1 2 247.342 1.930 20 0 BDADLO CC(=O)NC1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000266384686 386431636 /nfs/dbraw/zinc/43/16/36/386431636.db2.gz NFYNHGQIUJUYSR-UHFFFAOYSA-N 1 2 248.330 1.644 20 0 BDADLO CS[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000277405428 386432417 /nfs/dbraw/zinc/43/24/17/386432417.db2.gz HIMZKSIHRVGTBK-RKDXNWHRSA-N 1 2 241.360 1.975 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCCOC2)cc[nH+]1 ZINC000266422771 386433461 /nfs/dbraw/zinc/43/34/61/386433461.db2.gz SHRVBQOLILUBCC-NSHDSACASA-N 1 2 221.304 1.648 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)o1 ZINC000336734189 386466484 /nfs/dbraw/zinc/46/64/84/386466484.db2.gz VLNVATCZERRZAW-LLVKDONJSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)o1 ZINC000336734189 386466487 /nfs/dbraw/zinc/46/64/87/386466487.db2.gz VLNVATCZERRZAW-LLVKDONJSA-N 1 2 249.314 1.180 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCCc1ccccn1 ZINC000299568143 386468193 /nfs/dbraw/zinc/46/81/93/386468193.db2.gz ATMUJESNUBMORH-UHFFFAOYSA-N 1 2 244.298 1.027 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000266792823 386471045 /nfs/dbraw/zinc/47/10/45/386471045.db2.gz CPIVBWLMAAKQOT-PJXYFTJBSA-N 1 2 247.342 1.815 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCc1ccco1 ZINC000299621365 386473713 /nfs/dbraw/zinc/47/37/13/386473713.db2.gz IUPXAVYLFIPYIT-UHFFFAOYSA-N 1 2 219.244 1.183 20 0 BDADLO Cc1ccsc1C[N@@H+](C)Cc1nncn1C ZINC000299624049 386475006 /nfs/dbraw/zinc/47/50/06/386475006.db2.gz RBAGGDWAZPDSKE-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ccsc1C[N@H+](C)Cc1nncn1C ZINC000299624049 386475009 /nfs/dbraw/zinc/47/50/09/386475009.db2.gz RBAGGDWAZPDSKE-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)co1 ZINC000336314554 386475735 /nfs/dbraw/zinc/47/57/35/386475735.db2.gz STQMDAQTMRJUOW-UHFFFAOYSA-N 1 2 216.240 1.966 20 0 BDADLO COc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339563342 386477711 /nfs/dbraw/zinc/47/77/11/386477711.db2.gz KPMOENMIKHIOKC-GHMZBOCLSA-N 1 2 248.326 1.974 20 0 BDADLO COc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339563342 386477716 /nfs/dbraw/zinc/47/77/16/386477716.db2.gz KPMOENMIKHIOKC-GHMZBOCLSA-N 1 2 248.326 1.974 20 0 BDADLO CCCCN(CC)C(=O)CCn1cc[nH+]c1 ZINC000299650683 386478289 /nfs/dbraw/zinc/47/82/89/386478289.db2.gz XFKLXZCBJSOXDD-UHFFFAOYSA-N 1 2 223.320 1.922 20 0 BDADLO CCCc1noc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339564543 386478444 /nfs/dbraw/zinc/47/84/44/386478444.db2.gz QJNVPXUGPVHDBZ-DTWKUNHWSA-N 1 2 209.293 1.862 20 0 BDADLO CCCc1noc(C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339564543 386478449 /nfs/dbraw/zinc/47/84/49/386478449.db2.gz QJNVPXUGPVHDBZ-DTWKUNHWSA-N 1 2 209.293 1.862 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCO[C@H]2CCC[C@@H]21 ZINC000299699231 386480350 /nfs/dbraw/zinc/48/03/50/386480350.db2.gz ZNWZZFVIWQPQHT-RYUDHWBXSA-N 1 2 249.314 1.053 20 0 BDADLO C[C@@H](CNC(=O)CCC1CC1)Cn1cc[nH+]c1 ZINC000267104078 386493989 /nfs/dbraw/zinc/49/39/89/386493989.db2.gz MEZDSSCHHJBUPH-NSHDSACASA-N 1 2 235.331 1.826 20 0 BDADLO O=C(CCC1CCC1)N1CCn2c[nH+]cc2C1 ZINC000290988160 386497221 /nfs/dbraw/zinc/49/72/21/386497221.db2.gz WSRYWEQCQHBNIX-UHFFFAOYSA-N 1 2 233.315 1.806 20 0 BDADLO CCCc1noc(C[N@H+](CC)[C@@H](C)CO)n1 ZINC000339629420 386500561 /nfs/dbraw/zinc/50/05/61/386500561.db2.gz SBWKXBKFCULQJE-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](CC)[C@@H](C)CO)n1 ZINC000339629420 386500565 /nfs/dbraw/zinc/50/05/65/386500565.db2.gz SBWKXBKFCULQJE-VIFPVBQESA-N 1 2 227.308 1.225 20 0 BDADLO c1cnc(C[N@@H+]2CCOC[C@@H]2C2CCC2)nc1 ZINC000519597189 386500615 /nfs/dbraw/zinc/50/06/15/386500615.db2.gz FNLRXJYMJHFSNI-GFCCVEGCSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CCOC[C@@H]2C2CCC2)nc1 ZINC000519597189 386500620 /nfs/dbraw/zinc/50/06/20/386500620.db2.gz FNLRXJYMJHFSNI-GFCCVEGCSA-N 1 2 233.315 1.478 20 0 BDADLO CN(CC(C)(C)C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278465073 386529810 /nfs/dbraw/zinc/52/98/10/386529810.db2.gz TVLZWHRLPATFFB-UHFFFAOYSA-N 1 2 248.334 1.428 20 0 BDADLO CCC1(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000267195547 386509293 /nfs/dbraw/zinc/50/92/93/386509293.db2.gz DACWRYRHTCBDNU-UHFFFAOYSA-N 1 2 221.304 1.569 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267195296 386509896 /nfs/dbraw/zinc/50/98/96/386509896.db2.gz NLIQPBKNZJARQU-KCJUWKMLSA-N 1 2 238.718 1.961 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267195296 386509900 /nfs/dbraw/zinc/50/99/00/386509900.db2.gz NLIQPBKNZJARQU-KCJUWKMLSA-N 1 2 238.718 1.961 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCc1ccccn1)C1CC1 ZINC000227766878 386511927 /nfs/dbraw/zinc/51/19/27/386511927.db2.gz FFQKYLORHJMFJE-LBPRGKRZSA-N 1 2 234.299 1.165 20 0 BDADLO COC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000278338866 386515512 /nfs/dbraw/zinc/51/55/12/386515512.db2.gz JYBOTUSYGGQWTB-ONEGZZNKSA-N 1 2 235.287 1.108 20 0 BDADLO Cc1cc(C)c(C(=O)NCc2[nH+]ccn2C)o1 ZINC000267259690 386518464 /nfs/dbraw/zinc/51/84/64/386518464.db2.gz NQQYLQVLEWYESI-UHFFFAOYSA-N 1 2 233.271 1.560 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000278390196 386520816 /nfs/dbraw/zinc/52/08/16/386520816.db2.gz MUWCORLGZRUYJQ-SNVBAGLBSA-N 1 2 244.302 1.152 20 0 BDADLO C=Cn1cc(C[N@H+]2CCn3cnnc3[C@H]2C)cn1 ZINC000278390196 386520821 /nfs/dbraw/zinc/52/08/21/386520821.db2.gz MUWCORLGZRUYJQ-SNVBAGLBSA-N 1 2 244.302 1.152 20 0 BDADLO C[C@@H](C(=O)NCCC(C)(C)C)[NH+]1CCOCC1 ZINC000339681106 386521152 /nfs/dbraw/zinc/52/11/52/386521152.db2.gz XPIXOAWJQGUDMT-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)c1nc(N[C@@H](C)c2cn[nH]c2)cc[nH+]1 ZINC000339704903 386524631 /nfs/dbraw/zinc/52/46/31/386524631.db2.gz KPEOTRLHBWKMIB-VIFPVBQESA-N 1 2 231.303 1.918 20 0 BDADLO Cc1cccc(C)c1CC(=O)NCc1c[nH+]c[nH]1 ZINC000347578524 386457745 /nfs/dbraw/zinc/45/77/45/386457745.db2.gz OCEMFMVLWPGFMH-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1cccc(C)c1CC(=O)NCc1c[nH]c[nH+]1 ZINC000347578524 386457752 /nfs/dbraw/zinc/45/77/52/386457752.db2.gz OCEMFMVLWPGFMH-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC)C(=O)OC ZINC000303870020 386457819 /nfs/dbraw/zinc/45/78/19/386457819.db2.gz JJIAMCXGYUTCII-HBNTYKKESA-N 1 2 229.320 1.485 20 0 BDADLO C[N@H+](Cc1nncn1-c1ccccc1)C1CC1 ZINC000277682820 386459219 /nfs/dbraw/zinc/45/92/19/386459219.db2.gz KRNMREWGYFTFFJ-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO C[N@@H+](Cc1nncn1-c1ccccc1)C1CC1 ZINC000277682820 386459228 /nfs/dbraw/zinc/45/92/28/386459228.db2.gz KRNMREWGYFTFFJ-UHFFFAOYSA-N 1 2 228.299 1.862 20 0 BDADLO CCCc1nc(C)c(C[NH2+]Cc2nccn2C)o1 ZINC000291748430 386577590 /nfs/dbraw/zinc/57/75/90/386577590.db2.gz PVQDZXKRAAZBGY-UHFFFAOYSA-N 1 2 248.330 1.959 20 0 BDADLO CCCc1nc(C)c(CNCc2[nH+]ccn2C)o1 ZINC000291748430 386577597 /nfs/dbraw/zinc/57/75/97/386577597.db2.gz PVQDZXKRAAZBGY-UHFFFAOYSA-N 1 2 248.330 1.959 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000062366821 386583946 /nfs/dbraw/zinc/58/39/46/386583946.db2.gz YRGVWQDHVZEPIJ-UHFFFAOYSA-N 1 2 205.265 1.623 20 0 BDADLO O=C(C(F)F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000278800042 386588066 /nfs/dbraw/zinc/58/80/66/386588066.db2.gz WJZVAXOBWDBPPF-ZETCQYMHSA-N 1 2 229.230 1.728 20 0 BDADLO Cn1c[nH+]cc1CSc1nnc(C2CC2)[nH]1 ZINC000267825221 386590592 /nfs/dbraw/zinc/59/05/92/386590592.db2.gz YRPICTZEBKZKSK-UHFFFAOYSA-N 1 2 235.316 1.708 20 0 BDADLO CCC1(CNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000267902074 386599079 /nfs/dbraw/zinc/59/90/79/386599079.db2.gz WHDIWQYMKZCQTH-UHFFFAOYSA-N 1 2 207.277 1.638 20 0 BDADLO COC(=O)C1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000340659942 386533696 /nfs/dbraw/zinc/53/36/96/386533696.db2.gz FPUVTWQQXIOQMG-UHFFFAOYSA-N 1 2 249.314 1.170 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](c2ncon2)C(C)C)c[nH+]1 ZINC000278558119 386546608 /nfs/dbraw/zinc/54/66/08/386546608.db2.gz HFJASNFQJDDNJE-VIFPVBQESA-N 1 2 249.274 1.228 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)cn1 ZINC000278590102 386552973 /nfs/dbraw/zinc/55/29/73/386552973.db2.gz KJDARSXYJKOXJA-UHFFFAOYSA-N 1 2 230.271 1.603 20 0 BDADLO CCc1ncc(C[N@@H+]2CCC[C@H]2CF)cn1 ZINC000414454404 386553851 /nfs/dbraw/zinc/55/38/51/386553851.db2.gz FUUVEXAYZXOLIV-NSHDSACASA-N 1 2 223.295 1.973 20 0 BDADLO CCc1ncc(C[N@H+]2CCC[C@H]2CF)cn1 ZINC000414454404 386553861 /nfs/dbraw/zinc/55/38/61/386553861.db2.gz FUUVEXAYZXOLIV-NSHDSACASA-N 1 2 223.295 1.973 20 0 BDADLO F[C@@H]1CC[N@H+](Cc2cccc3nccn32)C1 ZINC000335405573 386564151 /nfs/dbraw/zinc/56/41/51/386564151.db2.gz FRANOWKRWWBGQH-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO F[C@@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000335405573 386564155 /nfs/dbraw/zinc/56/41/55/386564155.db2.gz FRANOWKRWWBGQH-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO F[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000335405573 386564160 /nfs/dbraw/zinc/56/41/60/386564160.db2.gz FRANOWKRWWBGQH-SNVBAGLBSA-N 1 2 219.263 1.878 20 0 BDADLO CN(Cc1c[nH+]cn1C)CC(F)(F)F ZINC000267644971 386564683 /nfs/dbraw/zinc/56/46/83/386564683.db2.gz WJTSFGODHOARCS-UHFFFAOYSA-N 1 2 207.199 1.414 20 0 BDADLO c1csc(CC[NH2+]Cc2ccn[nH]2)n1 ZINC000062103851 386567299 /nfs/dbraw/zinc/56/72/99/386567299.db2.gz MOKPCFSKABASID-UHFFFAOYSA-N 1 2 208.290 1.199 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335408563 386568299 /nfs/dbraw/zinc/56/82/99/386568299.db2.gz NJPSKBJWMURTEC-PSASIEDQSA-N 1 2 230.333 1.118 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335408563 386568306 /nfs/dbraw/zinc/56/83/06/386568306.db2.gz NJPSKBJWMURTEC-PSASIEDQSA-N 1 2 230.333 1.118 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000519860411 386572958 /nfs/dbraw/zinc/57/29/58/386572958.db2.gz QWOZKIUGPNWSBQ-JTQLQIEISA-N 1 2 233.311 1.553 20 0 BDADLO CC(C)n1cc[nH+]c1CSc1cn[nH]n1 ZINC000268165463 386626600 /nfs/dbraw/zinc/62/66/00/386626600.db2.gz POAZJNNFIZIHMX-UHFFFAOYSA-N 1 2 223.305 1.874 20 0 BDADLO CC(C)n1cc[nH+]c1CSc1c[nH]nn1 ZINC000268165463 386626604 /nfs/dbraw/zinc/62/66/04/386626604.db2.gz POAZJNNFIZIHMX-UHFFFAOYSA-N 1 2 223.305 1.874 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@H](OCC(C)C)C2)o1 ZINC000119609749 386637166 /nfs/dbraw/zinc/63/71/66/386637166.db2.gz YFKNKGUHBOBILJ-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@H](OCC(C)C)C2)o1 ZINC000119609749 386637175 /nfs/dbraw/zinc/63/71/75/386637175.db2.gz YFKNKGUHBOBILJ-NSHDSACASA-N 1 2 239.319 1.625 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C(F)F)c1cn[nH]c1 ZINC000339797660 386643261 /nfs/dbraw/zinc/64/32/61/386643261.db2.gz IRFMGSVSMUFIJE-ZETCQYMHSA-N 1 2 241.245 1.852 20 0 BDADLO CCCc1csc(C[NH2+][C@@H](C)C(=O)NC)n1 ZINC000336782497 386646491 /nfs/dbraw/zinc/64/64/91/386646491.db2.gz XVLMGHLADYDJEH-QMMMGPOBSA-N 1 2 241.360 1.320 20 0 BDADLO CCC(=O)N[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000644972053 386647479 /nfs/dbraw/zinc/64/74/79/386647479.db2.gz PXSRYRIINHKHOG-JTQLQIEISA-N 1 2 249.314 1.552 20 0 BDADLO CCCC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000268369979 386648546 /nfs/dbraw/zinc/64/85/46/386648546.db2.gz JTVCESBZJRSXNC-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc[nH+]1 ZINC000328953545 386653553 /nfs/dbraw/zinc/65/35/53/386653553.db2.gz YBFZNGYMHYLIQK-GXSJLCMTSA-N 1 2 246.310 1.756 20 0 BDADLO CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000279237458 386653577 /nfs/dbraw/zinc/65/35/77/386653577.db2.gz RDHNMPLZWATHAL-SNVBAGLBSA-N 1 2 223.320 1.893 20 0 BDADLO Cc1noc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)n1 ZINC000329070384 386599369 /nfs/dbraw/zinc/59/93/69/386599369.db2.gz YLHKRYDSLTYIGL-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO Cc1noc(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)n1 ZINC000329070384 386599371 /nfs/dbraw/zinc/59/93/71/386599371.db2.gz YLHKRYDSLTYIGL-SECBINFHSA-N 1 2 249.274 1.059 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1C[C@@H]1C ZINC000278901114 386603730 /nfs/dbraw/zinc/60/37/30/386603730.db2.gz PRVYWAKYNYDSEL-IONNQARKSA-N 1 2 207.277 1.033 20 0 BDADLO Cc1nc(C(C)(C)[NH2+]C[C@H]2CCCCO2)no1 ZINC000329093182 386604033 /nfs/dbraw/zinc/60/40/33/386604033.db2.gz ALWVNZBDSXZXOR-SNVBAGLBSA-N 1 2 239.319 1.772 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)C1CC2(CCC2)C1 ZINC000335489867 386606963 /nfs/dbraw/zinc/60/69/63/386606963.db2.gz SVMMSXKYMNUMLD-UHFFFAOYSA-N 1 2 232.283 1.728 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335489733 386607206 /nfs/dbraw/zinc/60/72/06/386607206.db2.gz VHJDCXMIMLVGHG-CMPLNLGQSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H](F)C2)c[nH+]1 ZINC000335518697 386655209 /nfs/dbraw/zinc/65/52/09/386655209.db2.gz DEMJFCXKWPQFRH-RKDXNWHRSA-N 1 2 225.267 1.729 20 0 BDADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](F)C1 ZINC000335493889 386613950 /nfs/dbraw/zinc/61/39/50/386613950.db2.gz ZJJQAVMJBWGOBR-UWVGGRQHSA-N 1 2 237.278 1.016 20 0 BDADLO OCCC[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000644923104 386615406 /nfs/dbraw/zinc/61/54/06/386615406.db2.gz MQSNZDHTOKRRPZ-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO OCCC[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000644923104 386615412 /nfs/dbraw/zinc/61/54/12/386615412.db2.gz MQSNZDHTOKRRPZ-UHFFFAOYSA-N 1 2 247.245 1.354 20 0 BDADLO COC(=O)CCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425590180 386659691 /nfs/dbraw/zinc/65/96/91/386659691.db2.gz WBIXPTUHBPRCIY-UHFFFAOYSA-N 1 2 236.271 1.590 20 0 BDADLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1cc(C)on1 ZINC000292411481 386664247 /nfs/dbraw/zinc/66/42/47/386664247.db2.gz MDNOXLJZJYNDME-VIFPVBQESA-N 1 2 223.276 1.406 20 0 BDADLO CC[C@H]1CC[N@H+]1CC(=O)Nc1cc(C)on1 ZINC000292411481 386664253 /nfs/dbraw/zinc/66/42/53/386664253.db2.gz MDNOXLJZJYNDME-VIFPVBQESA-N 1 2 223.276 1.406 20 0 BDADLO CN(CC(C)(C)O)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301574085 386668706 /nfs/dbraw/zinc/66/87/06/386668706.db2.gz LQNYPKONCSJDBN-UHFFFAOYSA-N 1 2 237.347 1.981 20 0 BDADLO CC(C)COCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000337209242 386669108 /nfs/dbraw/zinc/66/91/08/386669108.db2.gz ANJOJWPFSGDYFR-ABAIWWIYSA-N 1 2 233.377 1.112 20 0 BDADLO CC(C)COCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000337209242 386669112 /nfs/dbraw/zinc/66/91/12/386669112.db2.gz ANJOJWPFSGDYFR-ABAIWWIYSA-N 1 2 233.377 1.112 20 0 BDADLO CC[C@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000292443586 386669842 /nfs/dbraw/zinc/66/98/42/386669842.db2.gz YMUGTPKIHLIRJY-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO CC[C@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000292443586 386669846 /nfs/dbraw/zinc/66/98/46/386669846.db2.gz YMUGTPKIHLIRJY-JTQLQIEISA-N 1 2 236.319 1.481 20 0 BDADLO Cc1ccc(NC(=O)N2CCO[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC000645019651 386676490 /nfs/dbraw/zinc/67/64/90/386676490.db2.gz FDLZADBXKSRMQC-NWDGAFQWSA-N 1 2 247.298 1.703 20 0 BDADLO Cn1nncc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000648058582 386677396 /nfs/dbraw/zinc/67/73/96/386677396.db2.gz RQVDQMSERBJHTE-UHFFFAOYSA-N 1 2 230.262 1.292 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccc(OC)nc2)n1 ZINC000414479135 386680636 /nfs/dbraw/zinc/68/06/36/386680636.db2.gz HXNQVWCBWKDMJM-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CC(C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279260720 386657021 /nfs/dbraw/zinc/65/70/21/386657021.db2.gz UYBAKHMJGPNKOS-JTQLQIEISA-N 1 2 223.320 1.893 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000268877080 386711224 /nfs/dbraw/zinc/71/12/24/386711224.db2.gz WWBDAXXXZGITLT-NSHDSACASA-N 1 2 231.303 1.608 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nc(C2CC2)no1 ZINC000050103859 386684255 /nfs/dbraw/zinc/68/42/55/386684255.db2.gz YVRHSGIITOENDH-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nc(C2CC2)no1 ZINC000050103859 386684259 /nfs/dbraw/zinc/68/42/59/386684259.db2.gz YVRHSGIITOENDH-UHFFFAOYSA-N 1 2 225.292 1.150 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(C2CC2)CC1 ZINC000279485322 386689309 /nfs/dbraw/zinc/68/93/09/386689309.db2.gz ORXYGFBGKJOJSE-UHFFFAOYSA-N 1 2 233.315 1.567 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NCC1(C2CC2)CC1 ZINC000279485322 386689321 /nfs/dbraw/zinc/68/93/21/386689321.db2.gz ORXYGFBGKJOJSE-UHFFFAOYSA-N 1 2 233.315 1.567 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000292556084 386689484 /nfs/dbraw/zinc/68/94/84/386689484.db2.gz NLLNSSZSFBRGRD-ZJUUUORDSA-N 1 2 247.298 1.488 20 0 BDADLO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ncn(C)n1 ZINC000391899263 386691870 /nfs/dbraw/zinc/69/18/70/386691870.db2.gz DOJAXYRMLZFZKK-UWVGGRQHSA-N 1 2 238.335 1.423 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC000352846524 386711793 /nfs/dbraw/zinc/71/17/93/386711793.db2.gz QPVHUYNXULLBOJ-JTQLQIEISA-N 1 2 221.304 1.578 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CCSC1 ZINC000414484904 386702010 /nfs/dbraw/zinc/70/20/10/386702010.db2.gz HJKOLGKORZTOGF-ZJUUUORDSA-N 1 2 229.345 1.423 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccc(CC)cn1 ZINC000645078282 386704000 /nfs/dbraw/zinc/70/40/00/386704000.db2.gz CWTUDVCJTMNGMM-UHFFFAOYSA-N 1 2 235.331 1.212 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccc(CC)cn1 ZINC000645078282 386704007 /nfs/dbraw/zinc/70/40/07/386704007.db2.gz CWTUDVCJTMNGMM-UHFFFAOYSA-N 1 2 235.331 1.212 20 0 BDADLO CC(C)C[C@H](C)C[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000330392563 386712372 /nfs/dbraw/zinc/71/23/72/386712372.db2.gz PWUPXIVGLKNGFA-WDEREUQCSA-N 1 2 228.336 1.905 20 0 BDADLO CC(C)C[C@H](C)C[N@H+]1CCOC[C@@H]1C(N)=O ZINC000330392563 386712379 /nfs/dbraw/zinc/71/23/79/386712379.db2.gz PWUPXIVGLKNGFA-WDEREUQCSA-N 1 2 228.336 1.905 20 0 BDADLO C[C@H](CC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC000352846525 386712315 /nfs/dbraw/zinc/71/23/15/386712315.db2.gz QPVHUYNXULLBOJ-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@H](C(=O)NCCCn1cc[nH+]c1)C(C)(F)F ZINC000292823777 386732781 /nfs/dbraw/zinc/73/27/81/386732781.db2.gz YGDSMLNACHSYIO-SECBINFHSA-N 1 2 245.273 1.681 20 0 BDADLO COC1(CC[N@@H+]2C[C@H](O)CC(F)(F)C2)CCC1 ZINC000645128442 386740679 /nfs/dbraw/zinc/74/06/79/386740679.db2.gz HGORQORKBSLWNG-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO COC1(CC[N@H+]2C[C@H](O)CC(F)(F)C2)CCC1 ZINC000645128442 386740682 /nfs/dbraw/zinc/74/06/82/386740682.db2.gz HGORQORKBSLWNG-SNVBAGLBSA-N 1 2 249.301 1.648 20 0 BDADLO CC(C)=CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269005151 386736359 /nfs/dbraw/zinc/73/63/59/386736359.db2.gz WSWRXOJDJFXWFD-UHFFFAOYSA-N 1 2 221.304 1.698 20 0 BDADLO Cc1nc(N2CC(C(F)(F)F)C2)cc[nH+]1 ZINC000334139603 386738231 /nfs/dbraw/zinc/73/82/31/386738231.db2.gz AVDXVYALVAQUCZ-UHFFFAOYSA-N 1 2 217.194 1.784 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)nn1 ZINC000334140132 386739291 /nfs/dbraw/zinc/73/92/91/386739291.db2.gz CUVZCSVEHGSESH-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)nn1 ZINC000334140132 386739299 /nfs/dbraw/zinc/73/92/99/386739299.db2.gz CUVZCSVEHGSESH-LBPRGKRZSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)nn1 ZINC000334140128 386739696 /nfs/dbraw/zinc/73/96/96/386739696.db2.gz CUVZCSVEHGSESH-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)nn1 ZINC000334140128 386739703 /nfs/dbraw/zinc/73/97/03/386739703.db2.gz CUVZCSVEHGSESH-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1cscc1Cl ZINC000648062970 386716643 /nfs/dbraw/zinc/71/66/43/386716643.db2.gz VUZYXWOVURDJLK-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1cscc1Cl ZINC000648062970 386716648 /nfs/dbraw/zinc/71/66/48/386716648.db2.gz VUZYXWOVURDJLK-UHFFFAOYSA-N 1 2 246.763 1.969 20 0 BDADLO FC1(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)CC1 ZINC000526984612 386719018 /nfs/dbraw/zinc/71/90/18/386719018.db2.gz OHJZVAYMVGISDK-GFCCVEGCSA-N 1 2 243.322 1.616 20 0 BDADLO FC1(C[N@H+]2CCO[C@@H](COCC3CC3)C2)CC1 ZINC000526984612 386719023 /nfs/dbraw/zinc/71/90/23/386719023.db2.gz OHJZVAYMVGISDK-GFCCVEGCSA-N 1 2 243.322 1.616 20 0 BDADLO CN(C)C(=O)C1([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000414491509 386719752 /nfs/dbraw/zinc/71/97/52/386719752.db2.gz XHYRBSQWMDHYGK-UHFFFAOYSA-N 1 2 242.706 1.643 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2CCCO2)co1 ZINC000647959843 386721201 /nfs/dbraw/zinc/72/12/01/386721201.db2.gz PUJLERAEJIDPOL-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCO2)co1 ZINC000647959843 386721210 /nfs/dbraw/zinc/72/12/10/386721210.db2.gz PUJLERAEJIDPOL-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(C)cc1 ZINC000266940504 386722694 /nfs/dbraw/zinc/72/26/94/386722694.db2.gz BCWLSEJASOTXHU-UHFFFAOYSA-N 1 2 243.310 1.885 20 0 BDADLO Cc1c(CC(=O)Nc2cc[nH+]cc2C)cnn1C ZINC000292783923 386723639 /nfs/dbraw/zinc/72/36/39/386723639.db2.gz MFFPJLWJMRYGPY-UHFFFAOYSA-N 1 2 244.298 1.613 20 0 BDADLO CCCC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000348526752 386750390 /nfs/dbraw/zinc/75/03/90/386750390.db2.gz XCADUDQZCWIIDE-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO CCc1nnc(C[N@@H+](CC)[C@@H]2CCOC2)s1 ZINC000643400946 386756514 /nfs/dbraw/zinc/75/65/14/386756514.db2.gz DZJIXVIDZAVVMN-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO CCc1nnc(C[N@H+](CC)[C@@H]2CCOC2)s1 ZINC000643400946 386756522 /nfs/dbraw/zinc/75/65/22/386756522.db2.gz DZJIXVIDZAVVMN-SECBINFHSA-N 1 2 241.360 1.711 20 0 BDADLO Cc1noc([C@@H]2CC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000344838447 386758334 /nfs/dbraw/zinc/75/83/34/386758334.db2.gz YLIAUPYCHYQOCY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO Cc1noc([C@@H]2CC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000344838447 386758339 /nfs/dbraw/zinc/75/83/39/386758339.db2.gz YLIAUPYCHYQOCY-SNVBAGLBSA-N 1 2 247.302 1.399 20 0 BDADLO CCc1ncc(CNc2cc(C)[nH+]cn2)o1 ZINC000450846392 386765409 /nfs/dbraw/zinc/76/54/09/386765409.db2.gz MJVDQIYZHPCLPV-UHFFFAOYSA-N 1 2 218.260 1.369 20 0 BDADLO C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)C[C@H]2C[C@H]2C1 ZINC000357357940 386767676 /nfs/dbraw/zinc/76/76/76/386767676.db2.gz UUDLMXITQAJVLQ-YABSGUDNSA-N 1 2 245.326 1.662 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC(C)(C)C1CC1 ZINC000293040148 386768004 /nfs/dbraw/zinc/76/80/04/386768004.db2.gz JSEHVGJUGQSFFU-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1nc(C(=O)NCc2[nH]c[nH+]c2C)c(C)o1 ZINC000293223863 386789510 /nfs/dbraw/zinc/78/95/10/386789510.db2.gz NGBFDHRLZSISNE-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO C[C@]1(C(N)=O)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000280251931 386794204 /nfs/dbraw/zinc/79/42/04/386794204.db2.gz NGEITNXVWLORFZ-ZDUSSCGKSA-N 1 2 244.298 1.265 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@]12CCOC2 ZINC000357377881 386772401 /nfs/dbraw/zinc/77/24/01/386772401.db2.gz WKFVMFCDVYRVLL-CYBMUJFWSA-N 1 2 249.314 1.124 20 0 BDADLO CCC[C@H]([NH2+]C[C@H](C)OC)C(=O)OCC ZINC000191222682 386777554 /nfs/dbraw/zinc/77/75/54/386777554.db2.gz PNFVRQABHYWAFM-UWVGGRQHSA-N 1 2 217.309 1.343 20 0 BDADLO Cc1ccc(O)c(C[NH2+]C2(C(F)F)CC2)n1 ZINC000336667154 386779618 /nfs/dbraw/zinc/77/96/18/386779618.db2.gz FOFCGBDOOVQGFK-UHFFFAOYSA-N 1 2 228.242 1.983 20 0 BDADLO CSC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000280157322 386784026 /nfs/dbraw/zinc/78/40/26/386784026.db2.gz RJOZZMASUBSPIY-UHFFFAOYSA-N 1 2 239.344 1.285 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CC1CC(C)(C)C1 ZINC000339912864 386788801 /nfs/dbraw/zinc/78/88/01/386788801.db2.gz WXFUMLJMHPKILU-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO CCN(C[C@@H]1CCCO1)c1cc(C)[nH+]cn1 ZINC000301221812 386824694 /nfs/dbraw/zinc/82/46/94/386824694.db2.gz CJGPCMXJAZQMOL-NSHDSACASA-N 1 2 221.304 1.790 20 0 BDADLO CCOC(=O)[C@H]([NH2+]CC[C@H](C)O)[C@H](C)CC ZINC000411484517 386820631 /nfs/dbraw/zinc/82/06/31/386820631.db2.gz YMKAZXKZEPERCP-OUAUKWLOSA-N 1 2 231.336 1.325 20 0 BDADLO Cc1cc(NC[C@H]2COc3ccccc32)nc[nH+]1 ZINC000341072736 386821153 /nfs/dbraw/zinc/82/11/53/386821153.db2.gz RAUVHKBCVMXWJQ-NSHDSACASA-N 1 2 241.294 1.795 20 0 BDADLO CC(=O)N1CCC[C@@H](CNc2cccc[nH+]2)C1 ZINC000280565168 386822329 /nfs/dbraw/zinc/82/23/29/386822329.db2.gz VBUGXNNHBSIUBE-LBPRGKRZSA-N 1 2 233.315 1.752 20 0 BDADLO CC(C)c1nc(N2C[C@H](C)[C@@H](CO)C2)cc[nH+]1 ZINC000357656778 386823118 /nfs/dbraw/zinc/82/31/18/386823118.db2.gz MPADGAQZDDHVFW-WDEREUQCSA-N 1 2 235.331 1.665 20 0 BDADLO Cc1nnc(C[NH2+][C@H](CCO)c2ccccc2)[nH]1 ZINC000293277560 386797487 /nfs/dbraw/zinc/79/74/87/386797487.db2.gz SVCALVFICGJOPW-GFCCVEGCSA-N 1 2 246.314 1.326 20 0 BDADLO CC[C@@H](NC(=O)[C@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000125333593 386797908 /nfs/dbraw/zinc/79/79/08/386797908.db2.gz DDGSJFVECKYVHL-DTWKUNHWSA-N 1 2 223.276 1.014 20 0 BDADLO CC[N@H+](CCCO)Cc1nnc(C)n1C1CC1 ZINC000340886383 386798828 /nfs/dbraw/zinc/79/88/28/386798828.db2.gz FUAYBIYICRXPCW-UHFFFAOYSA-N 1 2 238.335 1.126 20 0 BDADLO CC[N@@H+](CCCO)Cc1nnc(C)n1C1CC1 ZINC000340886383 386798836 /nfs/dbraw/zinc/79/88/36/386798836.db2.gz FUAYBIYICRXPCW-UHFFFAOYSA-N 1 2 238.335 1.126 20 0 BDADLO CC1CCC([N@H+](C)Cc2nnn(C)n2)CC1 ZINC000192963754 386803723 /nfs/dbraw/zinc/80/37/23/386803723.db2.gz NPJGUXQWIOROTC-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO CC1CCC([N@@H+](C)Cc2nnn(C)n2)CC1 ZINC000192963754 386803727 /nfs/dbraw/zinc/80/37/27/386803727.db2.gz NPJGUXQWIOROTC-UHFFFAOYSA-N 1 2 223.324 1.221 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC000357549916 386804540 /nfs/dbraw/zinc/80/45/40/386804540.db2.gz MKAPPSBNBYHSEB-KXUCPTDWSA-N 1 2 233.315 1.696 20 0 BDADLO CC(C)(C)OCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330597431 386804771 /nfs/dbraw/zinc/80/47/71/386804771.db2.gz YYCBBNPHQCHXLP-BDAKNGLRSA-N 1 2 232.299 1.749 20 0 BDADLO CC(C)(C)OCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330597431 386804775 /nfs/dbraw/zinc/80/47/75/386804775.db2.gz YYCBBNPHQCHXLP-BDAKNGLRSA-N 1 2 232.299 1.749 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C[C@H](C)O ZINC000340984687 386812188 /nfs/dbraw/zinc/81/21/88/386812188.db2.gz GDAXTJSPOWGCBX-UWVGGRQHSA-N 1 2 237.303 1.093 20 0 BDADLO Cn1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)n1 ZINC000334749331 386814583 /nfs/dbraw/zinc/81/45/83/386814583.db2.gz MJYQNLQEQFBLSJ-CHWSQXEVSA-N 1 2 249.358 1.810 20 0 BDADLO Cn1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)n1 ZINC000334749331 386814589 /nfs/dbraw/zinc/81/45/89/386814589.db2.gz MJYQNLQEQFBLSJ-CHWSQXEVSA-N 1 2 249.358 1.810 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(F)cn1 ZINC000293518377 386830390 /nfs/dbraw/zinc/83/03/90/386830390.db2.gz IMADKDJZMCFAEL-NSHDSACASA-N 1 2 210.252 1.441 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ccc(F)cn1 ZINC000293518377 386830397 /nfs/dbraw/zinc/83/03/97/386830397.db2.gz IMADKDJZMCFAEL-NSHDSACASA-N 1 2 210.252 1.441 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC1)C2 ZINC000334778316 386831106 /nfs/dbraw/zinc/83/11/06/386831106.db2.gz USPVJZFFEDTXEP-JTQLQIEISA-N 1 2 247.342 1.870 20 0 BDADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC1)CC2 ZINC000334778316 386831109 /nfs/dbraw/zinc/83/11/09/386831109.db2.gz USPVJZFFEDTXEP-JTQLQIEISA-N 1 2 247.342 1.870 20 0 BDADLO Cc1ccncc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000341145662 386844346 /nfs/dbraw/zinc/84/43/46/386844346.db2.gz OEHGISPGVFPLJE-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccncc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000341145662 386844351 /nfs/dbraw/zinc/84/43/51/386844351.db2.gz OEHGISPGVFPLJE-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000334785785 386845493 /nfs/dbraw/zinc/84/54/93/386845493.db2.gz AMWJJJPURRDSTE-ZJUUUORDSA-N 1 2 243.738 1.646 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CCn1cc(Cl)cn1 ZINC000334785785 386845500 /nfs/dbraw/zinc/84/55/00/386845500.db2.gz AMWJJJPURRDSTE-ZJUUUORDSA-N 1 2 243.738 1.646 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H]1CC[C@H]1SC ZINC000425333268 386847284 /nfs/dbraw/zinc/84/72/84/386847284.db2.gz DXZSGPLQTMIIPS-BIIVOSGPSA-N 1 2 203.307 1.032 20 0 BDADLO Cc1cc(N[C@@H]2CCCCC[C@H]2C(N)=O)nc[nH+]1 ZINC000301970498 386893356 /nfs/dbraw/zinc/89/33/56/386893356.db2.gz RKRRCHDJRYDDIE-GHMZBOCLSA-N 1 2 248.330 1.631 20 0 BDADLO CC[C@@H](C)CONC(=O)CCc1c[nH+]cn1C ZINC000293667455 386856821 /nfs/dbraw/zinc/85/68/21/386856821.db2.gz IFKKASRQODENKU-SNVBAGLBSA-N 1 2 239.319 1.447 20 0 BDADLO CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H](C)CO ZINC000293687033 386861042 /nfs/dbraw/zinc/86/10/42/386861042.db2.gz PFPXDPYXJAUKKF-SNVBAGLBSA-N 1 2 247.298 1.177 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)nc1 ZINC000334829674 386866612 /nfs/dbraw/zinc/86/66/12/386866612.db2.gz MIHULTUWVUSSJH-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@H](CF)C2)nc1 ZINC000334829674 386866616 /nfs/dbraw/zinc/86/66/16/386866616.db2.gz MIHULTUWVUSSJH-LBPRGKRZSA-N 1 2 224.279 1.560 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@H]2CC2(C)C)n1 ZINC000357936904 386868666 /nfs/dbraw/zinc/86/86/66/386868666.db2.gz OYYHSOYXUNIFOR-VIFPVBQESA-N 1 2 232.287 1.907 20 0 BDADLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C)CF)cc2n1C ZINC000335748119 386871445 /nfs/dbraw/zinc/87/14/45/386871445.db2.gz RTEAJNQNGMCWQS-QMMMGPOBSA-N 1 2 249.289 1.970 20 0 BDADLO Cc1occc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000357954643 386872331 /nfs/dbraw/zinc/87/23/31/386872331.db2.gz VPQCXZMZYTVPPC-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO C/C=C\C[C@H](CO)NC(=O)Nc1cc[nH+]cc1C ZINC000352884734 386873510 /nfs/dbraw/zinc/87/35/10/386873510.db2.gz ULQMFHPHETZLNK-DLRQAJBASA-N 1 2 249.314 1.261 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000331613823 386873988 /nfs/dbraw/zinc/87/39/88/386873988.db2.gz PJABHUFGBLNMKN-OPRDCNLKSA-N 1 2 236.319 1.663 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000331613823 386873992 /nfs/dbraw/zinc/87/39/92/386873992.db2.gz PJABHUFGBLNMKN-OPRDCNLKSA-N 1 2 236.319 1.663 20 0 BDADLO Cc1ccc(CN2C(=O)CCC2=O)c(C)[nH+]1 ZINC000335749737 386874739 /nfs/dbraw/zinc/87/47/39/386874739.db2.gz RITPRLMXAZZSOF-UHFFFAOYSA-N 1 2 218.256 1.347 20 0 BDADLO CC[C@H](O)CNc1cc[nH+]c(C(C)C)n1 ZINC000336745141 386878667 /nfs/dbraw/zinc/87/86/67/386878667.db2.gz AFPVJVPRIMWLEJ-VIFPVBQESA-N 1 2 209.293 1.205 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)CF)cc[nH+]1 ZINC000335751882 386879527 /nfs/dbraw/zinc/87/95/27/386879527.db2.gz BOLZPLAMNLDVTA-UHFFFAOYSA-N 1 2 225.267 1.682 20 0 BDADLO c1nc(N[C@H]2CCOC2)cc(NCC2CC2)[nH+]1 ZINC000301838676 386884369 /nfs/dbraw/zinc/88/43/69/386884369.db2.gz WYFCDMUHRPKDBI-JTQLQIEISA-N 1 2 234.303 1.499 20 0 BDADLO c1nc(NCC2CC2)cc(N[C@H]2CCOC2)[nH+]1 ZINC000301838676 386884374 /nfs/dbraw/zinc/88/43/74/386884374.db2.gz WYFCDMUHRPKDBI-JTQLQIEISA-N 1 2 234.303 1.499 20 0 BDADLO c1nc(N[C@@H]2CCOC2)cc(NCC2CC2)[nH+]1 ZINC000301838678 386884442 /nfs/dbraw/zinc/88/44/42/386884442.db2.gz WYFCDMUHRPKDBI-SNVBAGLBSA-N 1 2 234.303 1.499 20 0 BDADLO c1nc(NCC2CC2)cc(N[C@@H]2CCOC2)[nH+]1 ZINC000301838678 386884446 /nfs/dbraw/zinc/88/44/46/386884446.db2.gz WYFCDMUHRPKDBI-SNVBAGLBSA-N 1 2 234.303 1.499 20 0 BDADLO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2noc(C)n2)C1(C)C ZINC000331837737 386914948 /nfs/dbraw/zinc/91/49/48/386914948.db2.gz YZWAOAZMWUUPGE-AVPPRXQKSA-N 1 2 239.319 1.527 20 0 BDADLO Cc1ccoc1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000335771946 386919408 /nfs/dbraw/zinc/91/94/08/386919408.db2.gz NQFHWEQQFWUZLP-GHMZBOCLSA-N 1 2 241.356 1.929 20 0 BDADLO CC(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000358127104 386896669 /nfs/dbraw/zinc/89/66/69/386896669.db2.gz SRLCFYQZHJQXFL-UHFFFAOYSA-N 1 2 249.295 1.604 20 0 BDADLO CCN(CC1CCC1)C(=O)CCn1cc[nH+]c1 ZINC000358143221 386898940 /nfs/dbraw/zinc/89/89/40/386898940.db2.gz BVLQKILFHHUMSB-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CC[C@](C)([NH2+]CCC(=O)OC(C)C)C(=O)OC ZINC000352889124 386904027 /nfs/dbraw/zinc/90/40/27/386904027.db2.gz XNFMWJGUDSWOCV-LBPRGKRZSA-N 1 2 245.319 1.259 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)n1 ZINC000331792579 386905647 /nfs/dbraw/zinc/90/56/47/386905647.db2.gz IDCKRVBLZWQTNM-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@@H](n3cccn3)C2)n1 ZINC000331792579 386905650 /nfs/dbraw/zinc/90/56/50/386905650.db2.gz IDCKRVBLZWQTNM-LLVKDONJSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCCOCC2)s1 ZINC000367300946 386906980 /nfs/dbraw/zinc/90/69/80/386906980.db2.gz WPKBDGZTLNFCPD-QMMMGPOBSA-N 1 2 227.333 1.630 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCCOCC2)s1 ZINC000367300946 386906986 /nfs/dbraw/zinc/90/69/86/386906986.db2.gz WPKBDGZTLNFCPD-QMMMGPOBSA-N 1 2 227.333 1.630 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000335766489 386908924 /nfs/dbraw/zinc/90/89/24/386908924.db2.gz RVGTYYQHWYRYJX-SNVBAGLBSA-N 1 2 219.284 1.872 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000335766489 386908927 /nfs/dbraw/zinc/90/89/27/386908927.db2.gz RVGTYYQHWYRYJX-SNVBAGLBSA-N 1 2 219.284 1.872 20 0 BDADLO CCOCC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352891394 386912346 /nfs/dbraw/zinc/91/23/46/386912346.db2.gz CRCFNOKTEYXCPC-FIXISWKDSA-N 1 2 233.377 1.254 20 0 BDADLO CCOCC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352891394 386912353 /nfs/dbraw/zinc/91/23/53/386912353.db2.gz CRCFNOKTEYXCPC-FIXISWKDSA-N 1 2 233.377 1.254 20 0 BDADLO C[N@H+](CC[C@@H]1CCCCO1)Cc1nnc[nH]1 ZINC000330855616 386913200 /nfs/dbraw/zinc/91/32/00/386913200.db2.gz RZGFYYNCXJBXNX-JTQLQIEISA-N 1 2 224.308 1.196 20 0 BDADLO C[N@@H+](CC[C@@H]1CCCCO1)Cc1nnc[nH]1 ZINC000330855616 386913204 /nfs/dbraw/zinc/91/32/04/386913204.db2.gz RZGFYYNCXJBXNX-JTQLQIEISA-N 1 2 224.308 1.196 20 0 BDADLO CCC[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OC ZINC000418014591 386924623 /nfs/dbraw/zinc/92/46/23/386924623.db2.gz UZRFJFOOGBTJNB-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)COC(C)C ZINC000358272361 386925070 /nfs/dbraw/zinc/92/50/70/386925070.db2.gz IFUFAMPGLUQRSC-UHFFFAOYSA-N 1 2 222.288 1.429 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358385680 386947547 /nfs/dbraw/zinc/94/75/47/386947547.db2.gz LYTCGJWMKWWMFT-ZJUUUORDSA-N 1 2 235.331 1.819 20 0 BDADLO Cc1cc(N[C@H](C)CCCCO)nc[nH+]1 ZINC000398634476 386930108 /nfs/dbraw/zinc/93/01/08/386930108.db2.gz UEWLSZQICDAAJH-SECBINFHSA-N 1 2 209.293 1.748 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358385680 386947551 /nfs/dbraw/zinc/94/75/51/386947551.db2.gz LYTCGJWMKWWMFT-ZJUUUORDSA-N 1 2 235.331 1.819 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)N(C)c1cccc[nH+]1 ZINC000302867147 386941848 /nfs/dbraw/zinc/94/18/48/386941848.db2.gz WBIFVZULXWQTHF-SNVBAGLBSA-N 1 2 235.331 1.821 20 0 BDADLO C[N@H+](CCOCC1CCC1)Cc1ccon1 ZINC000341679974 386942332 /nfs/dbraw/zinc/94/23/32/386942332.db2.gz WPMFOMVOCWAXTO-UHFFFAOYSA-N 1 2 224.304 1.923 20 0 BDADLO C[N@@H+](CCOCC1CCC1)Cc1ccon1 ZINC000341679974 386942335 /nfs/dbraw/zinc/94/23/35/386942335.db2.gz WPMFOMVOCWAXTO-UHFFFAOYSA-N 1 2 224.304 1.923 20 0 BDADLO Cc1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n(C)n1 ZINC000334931509 387007012 /nfs/dbraw/zinc/00/70/12/387007012.db2.gz ASJINRICSFFPLH-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@]12CCOC1(CCC1)C2 ZINC000334823459 386954713 /nfs/dbraw/zinc/95/47/13/386954713.db2.gz DAOYDHKILANKEP-CYBMUJFWSA-N 1 2 238.331 1.258 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@]12CCOC1(CCC1)C2 ZINC000334823459 386954716 /nfs/dbraw/zinc/95/47/16/386954716.db2.gz DAOYDHKILANKEP-CYBMUJFWSA-N 1 2 238.331 1.258 20 0 BDADLO CO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341716442 386955523 /nfs/dbraw/zinc/95/55/23/386955523.db2.gz HBEZVMSCZRQIPQ-PSASIEDQSA-N 1 2 237.303 1.022 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCC1)C1CC1 ZINC000341716707 386955534 /nfs/dbraw/zinc/95/55/34/386955534.db2.gz WQXBCXPVSARGLL-NSHDSACASA-N 1 2 233.315 1.788 20 0 BDADLO CCCCNc1cc(NCC2CC2)nc(N)[nH+]1 ZINC000341726624 386955757 /nfs/dbraw/zinc/95/57/57/386955757.db2.gz IEXOYEAMTPIRAJ-UHFFFAOYSA-N 1 2 235.335 1.345 20 0 BDADLO CCCCNc1cc(NCC2CC2)[nH+]c(N)n1 ZINC000341726624 386955763 /nfs/dbraw/zinc/95/57/63/386955763.db2.gz IEXOYEAMTPIRAJ-UHFFFAOYSA-N 1 2 235.335 1.345 20 0 BDADLO CC(C)n1c[nH+]cc1CN(C)Cc1nccn1C ZINC000425358448 386962733 /nfs/dbraw/zinc/96/27/33/386962733.db2.gz QUFZJLMZHWYBAU-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CC1CC1 ZINC000368462203 386975780 /nfs/dbraw/zinc/97/57/80/386975780.db2.gz NBWLFLSSITYEDD-UHFFFAOYSA-N 1 2 247.342 1.978 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(F)cn1 ZINC000519001236 386980792 /nfs/dbraw/zinc/98/07/92/386980792.db2.gz USCGOZQXQCCQFO-SECBINFHSA-N 1 2 232.262 1.862 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000368515242 386983372 /nfs/dbraw/zinc/98/33/72/386983372.db2.gz GYXIMPVQKOQCAL-VIFPVBQESA-N 1 2 209.245 1.242 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000368515242 386983375 /nfs/dbraw/zinc/98/33/75/386983375.db2.gz GYXIMPVQKOQCAL-VIFPVBQESA-N 1 2 209.245 1.242 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC2(O)CCCC2)s1 ZINC000358630387 386988837 /nfs/dbraw/zinc/98/88/37/386988837.db2.gz OFAIAUSZTGDVQS-UHFFFAOYSA-N 1 2 241.360 1.583 20 0 BDADLO Cc1nnc(C[N@H+](C)CC2(O)CCCC2)s1 ZINC000358630387 386988842 /nfs/dbraw/zinc/98/88/42/386988842.db2.gz OFAIAUSZTGDVQS-UHFFFAOYSA-N 1 2 241.360 1.583 20 0 BDADLO Cn1nncc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000353013381 386989754 /nfs/dbraw/zinc/98/97/54/386989754.db2.gz AQRGBXGOVOMZSI-UHFFFAOYSA-N 1 2 244.289 1.873 20 0 BDADLO CC(C)[C@H]1OCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331223313 386991763 /nfs/dbraw/zinc/99/17/63/386991763.db2.gz WLTPKFICTVPOTN-GHMZBOCLSA-N 1 2 237.303 1.087 20 0 BDADLO CC(C)[C@H]1OCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000331223313 386991766 /nfs/dbraw/zinc/99/17/66/386991766.db2.gz WLTPKFICTVPOTN-GHMZBOCLSA-N 1 2 237.303 1.087 20 0 BDADLO Cc1nc(N[C@H](C)C2CCCC2)nc(N)[nH+]1 ZINC000304476544 386994269 /nfs/dbraw/zinc/99/42/69/386994269.db2.gz NYWPMLZNBKXAAL-SSDOTTSWSA-N 1 2 221.308 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)C2CCCC2)[nH+]1 ZINC000304476544 386994275 /nfs/dbraw/zinc/99/42/75/386994275.db2.gz NYWPMLZNBKXAAL-SSDOTTSWSA-N 1 2 221.308 1.753 20 0 BDADLO CC[C@]1(O)CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332632634 386995227 /nfs/dbraw/zinc/99/52/27/386995227.db2.gz INCKXUVZSIZWII-KWQFWETISA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@]1(O)CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332632634 386995231 /nfs/dbraw/zinc/99/52/31/386995231.db2.gz INCKXUVZSIZWII-KWQFWETISA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@H](NC(=O)[C@@H](C)SC)c1[nH]cc[nH+]1 ZINC000331260102 387000910 /nfs/dbraw/zinc/00/09/10/387000910.db2.gz AVAWQLVDMGEVKD-SFYZADRCSA-N 1 2 227.333 1.729 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccsc2)C1 ZINC000332679347 387001233 /nfs/dbraw/zinc/00/12/33/387001233.db2.gz JOITUEQNOUYGKO-UWVGGRQHSA-N 1 2 240.328 1.873 20 0 BDADLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccsc2)C1 ZINC000332679347 387001240 /nfs/dbraw/zinc/00/12/40/387001240.db2.gz JOITUEQNOUYGKO-UWVGGRQHSA-N 1 2 240.328 1.873 20 0 BDADLO Cc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)n(C)n1 ZINC000334927886 387003786 /nfs/dbraw/zinc/00/37/86/387003786.db2.gz CFCVWRCVNAXJKV-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO Cc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)n(C)n1 ZINC000334927886 387003791 /nfs/dbraw/zinc/00/37/91/387003791.db2.gz CFCVWRCVNAXJKV-NSHDSACASA-N 1 2 237.347 1.728 20 0 BDADLO COC(=O)c1coc(C[N@@H+]2CCC(C)(C)C2)n1 ZINC000332720434 387003803 /nfs/dbraw/zinc/00/38/03/387003803.db2.gz RBTUGZGXRASHGY-UHFFFAOYSA-N 1 2 238.287 1.693 20 0 BDADLO COC(=O)c1coc(C[N@H+]2CCC(C)(C)C2)n1 ZINC000332720434 387003806 /nfs/dbraw/zinc/00/38/06/387003806.db2.gz RBTUGZGXRASHGY-UHFFFAOYSA-N 1 2 238.287 1.693 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000368695083 387004308 /nfs/dbraw/zinc/00/43/08/387004308.db2.gz RDQTYZYQXXJNMS-SNVBAGLBSA-N 1 2 237.303 1.071 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000368695083 387004313 /nfs/dbraw/zinc/00/43/13/387004313.db2.gz RDQTYZYQXXJNMS-SNVBAGLBSA-N 1 2 237.303 1.071 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000368695083 387004316 /nfs/dbraw/zinc/00/43/16/387004316.db2.gz RDQTYZYQXXJNMS-SNVBAGLBSA-N 1 2 237.303 1.071 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000368695083 387004321 /nfs/dbraw/zinc/00/43/21/387004321.db2.gz RDQTYZYQXXJNMS-SNVBAGLBSA-N 1 2 237.303 1.071 20 0 BDADLO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2[C@H]2C=CCCC2)n1 ZINC000330360847 387005792 /nfs/dbraw/zinc/00/57/92/387005792.db2.gz XPIMHOPTTOYDGY-QJPTWQEYSA-N 1 2 249.314 1.594 20 0 BDADLO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2[C@H]2C=CCCC2)n1 ZINC000330360847 387005799 /nfs/dbraw/zinc/00/57/99/387005799.db2.gz XPIMHOPTTOYDGY-QJPTWQEYSA-N 1 2 249.314 1.594 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000334820661 386949796 /nfs/dbraw/zinc/94/97/96/386949796.db2.gz MECNUFBBIDXEOP-ONGXEEELSA-N 1 2 222.336 1.135 20 0 BDADLO CSC[C@H](CCO)Nc1nc(C)[nH+]cc1C ZINC000519181530 387030694 /nfs/dbraw/zinc/03/06/94/387030694.db2.gz FSBSORHNUCQQNP-JTQLQIEISA-N 1 2 241.360 1.619 20 0 BDADLO c1cnn(CC[N@@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000369227457 387033056 /nfs/dbraw/zinc/03/30/56/387033056.db2.gz OPGNCVGAEQSIOL-LBPRGKRZSA-N 1 2 247.298 1.550 20 0 BDADLO c1cnn(CC[N@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000369227457 387033061 /nfs/dbraw/zinc/03/30/61/387033061.db2.gz OPGNCVGAEQSIOL-LBPRGKRZSA-N 1 2 247.298 1.550 20 0 BDADLO Cc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)n(C)n1 ZINC000334955904 387033574 /nfs/dbraw/zinc/03/35/74/387033574.db2.gz NBOPWRRQQBDIDI-GHMZBOCLSA-N 1 2 223.320 1.338 20 0 BDADLO Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ncon2)cn1 ZINC000369582554 387056400 /nfs/dbraw/zinc/05/64/00/387056400.db2.gz CDFFVEAAHKEMNU-LLVKDONJSA-N 1 2 247.302 1.183 20 0 BDADLO Cn1cc(CC[N@H+]2CCC[C@@H]2c2ncon2)cn1 ZINC000369582554 387056402 /nfs/dbraw/zinc/05/64/02/387056402.db2.gz CDFFVEAAHKEMNU-LLVKDONJSA-N 1 2 247.302 1.183 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1cccc(F)c1 ZINC000359117974 387057812 /nfs/dbraw/zinc/05/78/12/387057812.db2.gz MTDGGCLQZASNRD-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1cccc(F)c1 ZINC000359117974 387057816 /nfs/dbraw/zinc/05/78/16/387057816.db2.gz MTDGGCLQZASNRD-SECBINFHSA-N 1 2 247.273 1.969 20 0 BDADLO CC(C)n1cnnc1CN(C)Cc1c[nH+]cn1C ZINC000429292377 387058967 /nfs/dbraw/zinc/05/89/67/387058967.db2.gz IQGOUJIZZXFNHE-UHFFFAOYSA-N 1 2 248.334 1.225 20 0 BDADLO CCc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000359142148 387059416 /nfs/dbraw/zinc/05/94/16/387059416.db2.gz YVGHOYSKSDIFCF-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO CCc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000359142148 387059419 /nfs/dbraw/zinc/05/94/19/387059419.db2.gz YVGHOYSKSDIFCF-UHFFFAOYSA-N 1 2 243.310 1.831 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1cccnc1 ZINC000359132807 387059474 /nfs/dbraw/zinc/05/94/74/387059474.db2.gz NVYZPWJKAYJJOW-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1cccnc1 ZINC000359132807 387059477 /nfs/dbraw/zinc/05/94/77/387059477.db2.gz NVYZPWJKAYJJOW-SECBINFHSA-N 1 2 230.271 1.225 20 0 BDADLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1cn[nH]c1 ZINC000358785900 387013220 /nfs/dbraw/zinc/01/32/20/387013220.db2.gz AVPPWOCQJMBQQP-ZETCQYMHSA-N 1 2 233.275 1.521 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccncc2F)C1 ZINC000425374327 387014416 /nfs/dbraw/zinc/01/44/16/387014416.db2.gz PMTPIWJQCPOMAA-UHFFFAOYSA-N 1 2 238.262 1.216 20 0 BDADLO C[N@H+](CCO[C@H]1CCCCO1)Cc1cc[nH]n1 ZINC000333099909 387019140 /nfs/dbraw/zinc/01/91/40/387019140.db2.gz FKGDVSNEJMUJFH-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO C[N@@H+](CCO[C@H]1CCCCO1)Cc1cc[nH]n1 ZINC000333099909 387019146 /nfs/dbraw/zinc/01/91/46/387019146.db2.gz FKGDVSNEJMUJFH-LBPRGKRZSA-N 1 2 239.319 1.385 20 0 BDADLO CCC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000267380354 387021218 /nfs/dbraw/zinc/02/12/18/387021218.db2.gz UYAYSALOZAJRRD-UHFFFAOYSA-N 1 2 207.277 1.525 20 0 BDADLO C[C@H](CCc1ccco1)NC(=O)Cn1cc[nH+]c1 ZINC000514640884 387022601 /nfs/dbraw/zinc/02/26/01/387022601.db2.gz DWYOCFZVBGHKLK-LLVKDONJSA-N 1 2 247.298 1.614 20 0 BDADLO Cc1cc(CN2C(=O)NC3(CC3)C2=O)cc(C)[nH+]1 ZINC000333237216 387023301 /nfs/dbraw/zinc/02/33/01/387023301.db2.gz AIIVLJJBTIXJIG-UHFFFAOYSA-N 1 2 245.282 1.283 20 0 BDADLO Cc1ccc2oc(=NCCn3cc[nH+]c3)[nH]c2c1 ZINC000358882564 387029355 /nfs/dbraw/zinc/02/93/55/387029355.db2.gz PTSOOKNWLHRMGO-UHFFFAOYSA-N 1 2 242.282 1.867 20 0 BDADLO COC[C@H]1C[N@@H+]([C@H](C)c2ccccn2)CCO1 ZINC000246322795 387072837 /nfs/dbraw/zinc/07/28/37/387072837.db2.gz JPUJMHKAVGNAIT-VXGBXAGGSA-N 1 2 236.315 1.490 20 0 BDADLO COC[C@H]1C[N@H+]([C@H](C)c2ccccn2)CCO1 ZINC000246322795 387072841 /nfs/dbraw/zinc/07/28/41/387072841.db2.gz JPUJMHKAVGNAIT-VXGBXAGGSA-N 1 2 236.315 1.490 20 0 BDADLO Fc1ccc([C@@H]([NH2+]C2CC2)c2nnc[nH]2)cc1 ZINC000645380575 387074406 /nfs/dbraw/zinc/07/44/06/387074406.db2.gz XNFBEXFOZCODAA-LLVKDONJSA-N 1 2 232.262 1.785 20 0 BDADLO CC[C@H]([NH2+]Cc1cc(C)nn1C)C(F)F ZINC000418073348 387081108 /nfs/dbraw/zinc/08/11/08/387081108.db2.gz CKSGPVLQRFOWKN-VIFPVBQESA-N 1 2 217.263 1.862 20 0 BDADLO CCc1nocc1C[N@H+](C)Cc1cc(C)nn1C ZINC000418065051 387081558 /nfs/dbraw/zinc/08/15/58/387081558.db2.gz KOSBPPIHPISNKB-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CCc1nocc1C[N@@H+](C)Cc1cc(C)nn1C ZINC000418065051 387081564 /nfs/dbraw/zinc/08/15/64/387081564.db2.gz KOSBPPIHPISNKB-UHFFFAOYSA-N 1 2 248.330 1.911 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000334993713 387083854 /nfs/dbraw/zinc/08/38/54/387083854.db2.gz JZLMMJSTKHRMTE-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000334993713 387083857 /nfs/dbraw/zinc/08/38/57/387083857.db2.gz JZLMMJSTKHRMTE-SECBINFHSA-N 1 2 243.738 1.603 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000334993609 387084071 /nfs/dbraw/zinc/08/40/71/387084071.db2.gz IKHOUEJATAIFJA-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000334993609 387084074 /nfs/dbraw/zinc/08/40/74/387084074.db2.gz IKHOUEJATAIFJA-LLVKDONJSA-N 1 2 244.338 1.884 20 0 BDADLO CCS(=O)(=O)C1C[NH+](CC2CCCCC2)C1 ZINC000418076387 387086812 /nfs/dbraw/zinc/08/68/12/387086812.db2.gz RMMXBVAFHPAFAT-UHFFFAOYSA-N 1 2 245.388 1.686 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccc(F)cc1O ZINC000228309905 387088485 /nfs/dbraw/zinc/08/84/85/387088485.db2.gz OQDJNBYVFXZBKB-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO O=C(C[N@H+]1CC[C@H](F)C1)Nc1ccccc1 ZINC000336259818 387090352 /nfs/dbraw/zinc/09/03/52/387090352.db2.gz VJOCCIFBJFXATD-JTQLQIEISA-N 1 2 222.263 1.669 20 0 BDADLO O=C(C[N@@H+]1CC[C@H](F)C1)Nc1ccccc1 ZINC000336259818 387090357 /nfs/dbraw/zinc/09/03/57/387090357.db2.gz VJOCCIFBJFXATD-JTQLQIEISA-N 1 2 222.263 1.669 20 0 BDADLO CC(C)C[C@@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418086574 387093690 /nfs/dbraw/zinc/09/36/90/387093690.db2.gz YZJWPTOPUDJQIG-SNVBAGLBSA-N 1 2 233.377 1.397 20 0 BDADLO CC[C@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000193371499 387096884 /nfs/dbraw/zinc/09/68/84/387096884.db2.gz SXKJOXBXPHTIJA-JTQLQIEISA-N 1 2 223.324 1.222 20 0 BDADLO CC[C@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000193371499 387096889 /nfs/dbraw/zinc/09/68/89/387096889.db2.gz SXKJOXBXPHTIJA-JTQLQIEISA-N 1 2 223.324 1.222 20 0 BDADLO COC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000071271859 387098193 /nfs/dbraw/zinc/09/81/93/387098193.db2.gz BXOFBBRVMDTMBS-SNVBAGLBSA-N 1 2 239.319 1.328 20 0 BDADLO CC(=O)Nc1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000067693710 387098308 /nfs/dbraw/zinc/09/83/08/387098308.db2.gz WURHXCLBIQUBHP-UHFFFAOYSA-N 1 2 244.298 1.658 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccncc2)CCN1C ZINC000336264891 387098808 /nfs/dbraw/zinc/09/88/08/387098808.db2.gz HQQUXDQDSIPLTN-VXGBXAGGSA-N 1 2 219.332 1.606 20 0 BDADLO Cc1nc(C)c(F)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000359454238 387103659 /nfs/dbraw/zinc/10/36/59/387103659.db2.gz IKOPDNLUGGJOBU-QMMMGPOBSA-N 1 2 249.293 1.352 20 0 BDADLO Cc1cc(NC(=O)[C@@]23C[C@@H]2CCC3)cc[nH+]1 ZINC000335023945 387114874 /nfs/dbraw/zinc/11/48/74/387114874.db2.gz ZAORCUDEOJSDDI-GWCFXTLKSA-N 1 2 216.284 1.941 20 0 BDADLO CO[C@@H]1C[C@H](c2nnc[nH]2)[N@H+](CC[C@@H](C)F)C1 ZINC000352372661 387116528 /nfs/dbraw/zinc/11/65/28/387116528.db2.gz VJOZOVSWZCADHT-OPRDCNLKSA-N 1 2 242.298 1.315 20 0 BDADLO CO[C@@H]1C[C@H](c2nnc[nH]2)[N@@H+](CC[C@@H](C)F)C1 ZINC000352372661 387116536 /nfs/dbraw/zinc/11/65/36/387116536.db2.gz VJOZOVSWZCADHT-OPRDCNLKSA-N 1 2 242.298 1.315 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370428052 387117391 /nfs/dbraw/zinc/11/73/91/387117391.db2.gz LKEAKTTUTVPWBY-MNOVXSKESA-N 1 2 235.331 1.702 20 0 BDADLO CC(F)(F)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336292286 387124532 /nfs/dbraw/zinc/12/45/32/387124532.db2.gz HVAXIYWPKWTJHW-UHFFFAOYSA-N 1 2 229.230 1.271 20 0 BDADLO CC(C)Cn1cc(C[NH+]2CC(C)(CO)C2)cn1 ZINC000459619408 387128705 /nfs/dbraw/zinc/12/87/05/387128705.db2.gz IFGQEKYQIVQSQU-UHFFFAOYSA-N 1 2 237.347 1.353 20 0 BDADLO O=c1[nH]nc(CNc2cc[nH+]c3ccccc23)[nH]1 ZINC000392526599 387141738 /nfs/dbraw/zinc/14/17/38/387141738.db2.gz ZAQJRJLAEFTRQC-UHFFFAOYSA-N 1 2 241.254 1.093 20 0 BDADLO C=Cn1cc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000571691401 387143356 /nfs/dbraw/zinc/14/33/56/387143356.db2.gz TUTUAXCCQNUBJJ-NSHDSACASA-N 1 2 209.268 1.918 20 0 BDADLO C=Cn1cc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000571691401 387143361 /nfs/dbraw/zinc/14/33/61/387143361.db2.gz TUTUAXCCQNUBJJ-NSHDSACASA-N 1 2 209.268 1.918 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353168501 387147955 /nfs/dbraw/zinc/14/79/55/387147955.db2.gz CHNHVTQPGBWYQM-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353168501 387147961 /nfs/dbraw/zinc/14/79/61/387147961.db2.gz CHNHVTQPGBWYQM-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO Cc1cc(C[NH+]2CCN(CC(F)F)CC2)on1 ZINC000057914868 387150689 /nfs/dbraw/zinc/15/06/89/387150689.db2.gz SLEAHWBDUIVZOH-UHFFFAOYSA-N 1 2 245.273 1.366 20 0 BDADLO CN(C)c1nc(C[N@H+](C)CC2CCC2)ns1 ZINC000120043079 387151104 /nfs/dbraw/zinc/15/11/04/387151104.db2.gz QOUSZHHVVPRIIW-UHFFFAOYSA-N 1 2 240.376 1.836 20 0 BDADLO CN(C)c1nc(C[N@@H+](C)CC2CCC2)ns1 ZINC000120043079 387151108 /nfs/dbraw/zinc/15/11/08/387151108.db2.gz QOUSZHHVVPRIIW-UHFFFAOYSA-N 1 2 240.376 1.836 20 0 BDADLO Cc1cc(NC(=O)c2ncoc2C2CC2)cc[nH+]1 ZINC000336325821 387153693 /nfs/dbraw/zinc/15/36/93/387153693.db2.gz XIBWEHCAEJESLV-UHFFFAOYSA-N 1 2 243.266 1.930 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186992251 387158988 /nfs/dbraw/zinc/15/89/88/387158988.db2.gz MSXXRZBCIFIVDV-UHFFFAOYSA-N 1 2 206.293 1.191 20 0 BDADLO Cn1ncnc1C[N@H+]1CCCC2(CC2)C1 ZINC000186992251 387158993 /nfs/dbraw/zinc/15/89/93/387158993.db2.gz MSXXRZBCIFIVDV-UHFFFAOYSA-N 1 2 206.293 1.191 20 0 BDADLO CCCn1cc(C[NH2+][C@H](C)c2ncnn2C)cn1 ZINC000353212160 387159534 /nfs/dbraw/zinc/15/95/34/387159534.db2.gz WEZLLZLACKMJKZ-SNVBAGLBSA-N 1 2 248.334 1.272 20 0 BDADLO c1csc(Cc2noc(Cn3cc[nH+]c3)n2)c1 ZINC000359927980 387193529 /nfs/dbraw/zinc/19/35/29/387193529.db2.gz ZYBSIESYIAHWBG-UHFFFAOYSA-N 1 2 246.295 1.967 20 0 BDADLO Cn1cc[nH+]c1CN1CCc2ccc(O)cc2C1 ZINC000336345270 387174395 /nfs/dbraw/zinc/17/43/95/387174395.db2.gz ORAOFYVOMXUQSX-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1c[nH+]c2c1CCN(C(=O)Cc1ccco1)C2 ZINC000371209554 387175392 /nfs/dbraw/zinc/17/53/92/387175392.db2.gz MYHCMEONPFOMHE-UHFFFAOYSA-N 1 2 245.282 1.141 20 0 BDADLO CC(C)C(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336347588 387176055 /nfs/dbraw/zinc/17/60/55/387176055.db2.gz UBLSFBWTRCYEQA-LLVKDONJSA-N 1 2 249.358 1.996 20 0 BDADLO CC(C)CCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371272755 387183514 /nfs/dbraw/zinc/18/35/14/387183514.db2.gz HDPIOKQUAXZDAW-JTQLQIEISA-N 1 2 235.331 1.819 20 0 BDADLO CC(C)CCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371272755 387183520 /nfs/dbraw/zinc/18/35/20/387183520.db2.gz HDPIOKQUAXZDAW-JTQLQIEISA-N 1 2 235.331 1.819 20 0 BDADLO CC(C)[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000359600076 387132656 /nfs/dbraw/zinc/13/26/56/387132656.db2.gz MHYIKDWIJOKHJM-DTWKUNHWSA-N 1 2 241.253 1.266 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000359600076 387132659 /nfs/dbraw/zinc/13/26/59/387132659.db2.gz MHYIKDWIJOKHJM-DTWKUNHWSA-N 1 2 241.253 1.266 20 0 BDADLO O=C(NCCn1cc[nH+]c1)c1c(O)cccc1F ZINC000119430293 387135219 /nfs/dbraw/zinc/13/52/19/387135219.db2.gz IROFTHIHTFRGSC-UHFFFAOYSA-N 1 2 249.245 1.158 20 0 BDADLO CC(C)Cn1nccc1NCc1c[nH+]cn1C ZINC000119511168 387139091 /nfs/dbraw/zinc/13/90/91/387139091.db2.gz AOLVDXLTMKFVQO-UHFFFAOYSA-N 1 2 233.319 1.885 20 0 BDADLO CC[C@]1(C)C[N@H+](Cc2ccnc(C)n2)CCO1 ZINC000353118056 387139879 /nfs/dbraw/zinc/13/98/79/387139879.db2.gz KQZKKSDWEFMYTK-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@]1(C)C[N@@H+](Cc2ccnc(C)n2)CCO1 ZINC000353118056 387139883 /nfs/dbraw/zinc/13/98/83/387139883.db2.gz KQZKKSDWEFMYTK-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCC(CC)C[N@H+](CC)Cc1nnn(C)n1 ZINC000193291575 387204442 /nfs/dbraw/zinc/20/44/42/387204442.db2.gz BVMWZEBVVIFSSB-UHFFFAOYSA-N 1 2 225.340 1.468 20 0 BDADLO CCC(CC)C[N@@H+](CC)Cc1nnn(C)n1 ZINC000193291575 387204446 /nfs/dbraw/zinc/20/44/46/387204446.db2.gz BVMWZEBVVIFSSB-UHFFFAOYSA-N 1 2 225.340 1.468 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300416645 387209432 /nfs/dbraw/zinc/20/94/32/387209432.db2.gz GNRQLLLQVPQTBK-OUAUKWLOSA-N 1 2 243.347 1.874 20 0 BDADLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)NC(C)C ZINC000113941523 387212342 /nfs/dbraw/zinc/21/23/42/387212342.db2.gz RUOXMOISXHRSFD-LBPRGKRZSA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)NC(C)C ZINC000113941523 387212345 /nfs/dbraw/zinc/21/23/45/387212345.db2.gz RUOXMOISXHRSFD-LBPRGKRZSA-N 1 2 242.363 1.258 20 0 BDADLO Cc1ccnc([C@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000353505790 387218041 /nfs/dbraw/zinc/21/80/41/387218041.db2.gz WDEYBECWBYDCNL-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccco1 ZINC000371464675 387220120 /nfs/dbraw/zinc/22/01/20/387220120.db2.gz VNLVAJAMDGAURC-SNVBAGLBSA-N 1 2 245.282 1.990 20 0 BDADLO CSC1(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000352466459 387229568 /nfs/dbraw/zinc/22/95/68/387229568.db2.gz AJIUFKNUGXLCNE-UHFFFAOYSA-N 1 2 239.344 1.274 20 0 BDADLO Cn1cc[nH+]c1CNc1ccccc1C(N)=O ZINC000096969630 387232567 /nfs/dbraw/zinc/23/25/67/387232567.db2.gz IVTFIDXLWVQBLK-UHFFFAOYSA-N 1 2 230.271 1.131 20 0 BDADLO Cc1nc(N2CCOCC3(CC3)C2)cc[nH+]1 ZINC000360182762 387239028 /nfs/dbraw/zinc/23/90/28/387239028.db2.gz ADMQIKWXNWZVOY-UHFFFAOYSA-N 1 2 219.288 1.402 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CC1=CCCOC1)CC2 ZINC000371675995 387239794 /nfs/dbraw/zinc/23/97/94/387239794.db2.gz MOHRFZAIPGXGRF-UHFFFAOYSA-N 1 2 233.315 1.354 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CC1=CCCOC1)CC2 ZINC000371675995 387239800 /nfs/dbraw/zinc/23/98/00/387239800.db2.gz MOHRFZAIPGXGRF-UHFFFAOYSA-N 1 2 233.315 1.354 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@H]1CCCC[C@@H]1O)CC2 ZINC000371700070 387240728 /nfs/dbraw/zinc/24/07/28/387240728.db2.gz MGLUKLFUBLMABS-RYUDHWBXSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@H]1CCCC[C@@H]1O)CC2 ZINC000371700070 387240734 /nfs/dbraw/zinc/24/07/34/387240734.db2.gz MGLUKLFUBLMABS-RYUDHWBXSA-N 1 2 235.331 1.311 20 0 BDADLO Cc1cc(NC[C@@H](O)C(F)F)nc(C(C)C)[nH+]1 ZINC000230186193 387242753 /nfs/dbraw/zinc/24/27/53/387242753.db2.gz NCEVTONQCCZXST-MRVPVSSYSA-N 1 2 245.273 1.946 20 0 BDADLO CCN1CC[N@H+](Cc2ccccn2)[C@H](C)C1=O ZINC000336415913 387243946 /nfs/dbraw/zinc/24/39/46/387243946.db2.gz YAJTUDXCOOOKJC-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CCN1CC[N@@H+](Cc2ccccn2)[C@H](C)C1=O ZINC000336415913 387243950 /nfs/dbraw/zinc/24/39/50/387243950.db2.gz YAJTUDXCOOOKJC-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CCN(C[C@@H](C)OC)c1cc(C)[nH+]cn1 ZINC000360229795 387248172 /nfs/dbraw/zinc/24/81/72/387248172.db2.gz GAIKARIEDZXLKL-SNVBAGLBSA-N 1 2 209.293 1.646 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cc[nH]n1 ZINC000353655370 387251650 /nfs/dbraw/zinc/25/16/50/387251650.db2.gz XSMXUDLMWVDAQZ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353655370 387251653 /nfs/dbraw/zinc/25/16/53/387251653.db2.gz XSMXUDLMWVDAQZ-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cnn(C)c1CNc1cccc[nH+]1 ZINC000285097613 387251779 /nfs/dbraw/zinc/25/17/79/387251779.db2.gz KWJHJHLAJBQOAP-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)n1cccn1 ZINC000424698782 387252424 /nfs/dbraw/zinc/25/24/24/387252424.db2.gz CNGOQACKIBKBGE-SECBINFHSA-N 1 2 247.302 1.182 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000336364909 387196269 /nfs/dbraw/zinc/19/62/69/387196269.db2.gz UNKABMQSACMXGV-KGLIPLIRSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000336364909 387196273 /nfs/dbraw/zinc/19/62/73/387196273.db2.gz UNKABMQSACMXGV-KGLIPLIRSA-N 1 2 247.342 1.862 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2CC2=CCCOC2)no1 ZINC000371373204 387200371 /nfs/dbraw/zinc/20/03/71/387200371.db2.gz KGHDKMFGRYDHET-NSHDSACASA-N 1 2 235.287 1.553 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2CC2=CCCOC2)no1 ZINC000371373204 387200374 /nfs/dbraw/zinc/20/03/74/387200374.db2.gz KGHDKMFGRYDHET-NSHDSACASA-N 1 2 235.287 1.553 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000572164175 387255180 /nfs/dbraw/zinc/25/51/80/387255180.db2.gz STJGARSMWXXUEF-NEPJUHHUSA-N 1 2 249.358 1.996 20 0 BDADLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@H]1CCOC1 ZINC000390469932 387258712 /nfs/dbraw/zinc/25/87/12/387258712.db2.gz IWANMZIGFNQWNN-UWVGGRQHSA-N 1 2 229.320 1.343 20 0 BDADLO O=C(CC1CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336437656 387262548 /nfs/dbraw/zinc/26/25/48/387262548.db2.gz RZGCQPBUMLTLRW-SECBINFHSA-N 1 2 219.288 1.183 20 0 BDADLO O=C(CC1CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336437656 387262553 /nfs/dbraw/zinc/26/25/53/387262553.db2.gz RZGCQPBUMLTLRW-SECBINFHSA-N 1 2 219.288 1.183 20 0 BDADLO CS[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353730897 387264683 /nfs/dbraw/zinc/26/46/83/387264683.db2.gz WKPVNJYFJVHERA-UWVGGRQHSA-N 1 2 241.360 1.387 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)OC)C12CCC2 ZINC000195005095 387274576 /nfs/dbraw/zinc/27/45/76/387274576.db2.gz KRLIIBIMIQJJNK-GMTAPVOTSA-N 1 2 241.331 1.485 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336449955 387277534 /nfs/dbraw/zinc/27/75/34/387277534.db2.gz NCAAXARNXDLDIT-MNOVXSKESA-N 1 2 247.342 1.608 20 0 BDADLO Cc1ccc(C[NH+]2CCOCC2)c(C)n1 ZINC000336456462 387281785 /nfs/dbraw/zinc/28/17/85/387281785.db2.gz JSCFFHJPPSRYAF-UHFFFAOYSA-N 1 2 206.289 1.531 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCCc1ccncc1 ZINC000360436678 387284719 /nfs/dbraw/zinc/28/47/19/387284719.db2.gz JRAYCXVGFOAYCU-UHFFFAOYSA-N 1 2 236.315 1.555 20 0 BDADLO O=C(c1ccoc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336532633 387355639 /nfs/dbraw/zinc/35/56/39/387355639.db2.gz AVUXLMRRGJRRKF-SNVBAGLBSA-N 1 2 231.255 1.980 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000648592490 387363568 /nfs/dbraw/zinc/36/35/68/387363568.db2.gz HJXACPYSDOUOOD-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1cnccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000648592490 387363572 /nfs/dbraw/zinc/36/35/72/387363572.db2.gz HJXACPYSDOUOOD-NEPJUHHUSA-N 1 2 204.273 1.363 20 0 BDADLO CO[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354379488 387367889 /nfs/dbraw/zinc/36/78/89/387367889.db2.gz DXHDHLMIDDTBTD-NSHDSACASA-N 1 2 221.304 1.627 20 0 BDADLO Cc1nc(N(C)Cc2cc[nH]n2)c(C)c(C)[nH+]1 ZINC000354428605 387374284 /nfs/dbraw/zinc/37/42/84/387374284.db2.gz PTCADADUDKDEMH-UHFFFAOYSA-N 1 2 231.303 1.761 20 0 BDADLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000515397254 387375648 /nfs/dbraw/zinc/37/56/48/387375648.db2.gz KXRWUFYUUFRQEH-UPJWGTAASA-N 1 2 247.342 1.920 20 0 BDADLO C[C@H](CF)[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000287161966 387378963 /nfs/dbraw/zinc/37/89/63/387378963.db2.gz IYQYTFZEHXEXDC-GMSGAONNSA-N 1 2 228.242 1.300 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccon1 ZINC000336493622 387320171 /nfs/dbraw/zinc/32/01/71/387320171.db2.gz GCLCVONISYXOBI-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ccon1 ZINC000336493622 387320174 /nfs/dbraw/zinc/32/01/74/387320174.db2.gz GCLCVONISYXOBI-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373568228 387382398 /nfs/dbraw/zinc/38/23/98/387382398.db2.gz MDYPNXKROXWEDQ-PWSUYJOCSA-N 1 2 247.342 1.702 20 0 BDADLO C[C@H]([NH2+]Cc1csnn1)c1cc[nH]c(=O)c1 ZINC000354128869 387333939 /nfs/dbraw/zinc/33/39/39/387333939.db2.gz ASMBVEFHDYYKCB-ZETCQYMHSA-N 1 2 236.300 1.490 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000372932922 387336044 /nfs/dbraw/zinc/33/60/44/387336044.db2.gz XYGSBJLRBHFXOG-CYBMUJFWSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ns1 ZINC000572347213 387338157 /nfs/dbraw/zinc/33/81/57/387338157.db2.gz RZFGOVGEDXRHIK-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373568229 387383211 /nfs/dbraw/zinc/38/32/11/387383211.db2.gz MDYPNXKROXWEDQ-ZYHUDNBSSA-N 1 2 247.342 1.702 20 0 BDADLO Nc1[nH+]cnc(NCCC2(O)CCC2)c1Cl ZINC000286820856 387341392 /nfs/dbraw/zinc/34/13/92/387341392.db2.gz XDAKBYWURCBAFV-UHFFFAOYSA-N 1 2 242.710 1.429 20 0 BDADLO Nc1nc[nH+]c(NCCC2(O)CCC2)c1Cl ZINC000286820856 387341398 /nfs/dbraw/zinc/34/13/98/387341398.db2.gz XDAKBYWURCBAFV-UHFFFAOYSA-N 1 2 242.710 1.429 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336524379 387348557 /nfs/dbraw/zinc/34/85/57/387348557.db2.gz XYVSLLULCNWYEH-SECBINFHSA-N 1 2 235.283 1.312 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000336524379 387348561 /nfs/dbraw/zinc/34/85/61/387348561.db2.gz XYVSLLULCNWYEH-SECBINFHSA-N 1 2 235.283 1.312 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NCCCCF ZINC000360801971 387352737 /nfs/dbraw/zinc/35/27/37/387352737.db2.gz LOTPQUZDDHGYAU-UHFFFAOYSA-N 1 2 227.283 1.219 20 0 BDADLO CSCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000515856489 387430291 /nfs/dbraw/zinc/43/02/91/387430291.db2.gz VVSGUGJLEWRSJX-UHFFFAOYSA-N 1 2 227.333 1.514 20 0 BDADLO C[C@@H]1C[C@H]1N1C[C@H](Nc2cccc[nH+]2)CC1=O ZINC000374168573 387430941 /nfs/dbraw/zinc/43/09/41/387430941.db2.gz YRBXTEGMHCLSLZ-GMTAPVOTSA-N 1 2 231.299 1.503 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000361305293 387436048 /nfs/dbraw/zinc/43/60/48/387436048.db2.gz XRESNIAFBGPOOX-COPLHBTASA-N 1 2 247.342 1.750 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCCC12CCC2 ZINC000336600512 387445397 /nfs/dbraw/zinc/44/53/97/387445397.db2.gz QZTPZAXALHZUBK-UHFFFAOYSA-N 1 2 233.315 1.818 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC(=O)NCC1CC1 ZINC000361412649 387456388 /nfs/dbraw/zinc/45/63/88/387456388.db2.gz LFWNHJNEQWCUSH-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC(=O)NCC1CC1 ZINC000361412649 387456392 /nfs/dbraw/zinc/45/63/92/387456392.db2.gz LFWNHJNEQWCUSH-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1nnc(C[N@@H+](C(C)C)[C@@H]2CCOC2)s1 ZINC000361409613 387458297 /nfs/dbraw/zinc/45/82/97/387458297.db2.gz WNMHJCYDZRGDFL-SNVBAGLBSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnc(C[N@H+](C(C)C)[C@@H]2CCOC2)s1 ZINC000361409613 387458304 /nfs/dbraw/zinc/45/83/04/387458304.db2.gz WNMHJCYDZRGDFL-SNVBAGLBSA-N 1 2 241.360 1.846 20 0 BDADLO CC(C)n1cc(C[NH+]2[C@@H](C)C[C@@H]2C)nn1 ZINC000336618511 387459346 /nfs/dbraw/zinc/45/93/46/387459346.db2.gz BIHCBVFRAPTLSV-UWVGGRQHSA-N 1 2 208.309 1.842 20 0 BDADLO CC[C@@H](C)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000373835068 387399719 /nfs/dbraw/zinc/39/97/19/387399719.db2.gz IYBQSVBHPPXXHO-SECBINFHSA-N 1 2 238.335 1.736 20 0 BDADLO C[S@](=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000121797122 387405413 /nfs/dbraw/zinc/40/54/13/387405413.db2.gz QJDZGUWRMKXLHI-MRXNPFEDSA-N 1 2 235.312 1.759 20 0 BDADLO Cn1nncc1C[N@H+](C)Cc1ccoc1 ZINC000352648303 387406083 /nfs/dbraw/zinc/40/60/83/387406083.db2.gz DMZAOBOLGVRVFJ-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO Cn1nncc1C[N@@H+](C)Cc1ccoc1 ZINC000352648303 387406085 /nfs/dbraw/zinc/40/60/85/387406085.db2.gz DMZAOBOLGVRVFJ-UHFFFAOYSA-N 1 2 206.249 1.040 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccoc1)C2 ZINC000373991896 387408223 /nfs/dbraw/zinc/40/82/23/387408223.db2.gz IXQZCYQNVWHWLP-NSHDSACASA-N 1 2 245.282 1.529 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccccc1F ZINC000374043749 387415000 /nfs/dbraw/zinc/41/50/00/387415000.db2.gz PJNVNRMFCOQWGH-KCJUWKMLSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@H]1c1ccccc1F ZINC000374043749 387415003 /nfs/dbraw/zinc/41/50/03/387415003.db2.gz PJNVNRMFCOQWGH-KCJUWKMLSA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1c1ccccc1F ZINC000374043750 387415490 /nfs/dbraw/zinc/41/54/90/387415490.db2.gz PJNVNRMFCOQWGH-KWQFWETISA-N 1 2 222.263 1.446 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H]1c1ccccc1F ZINC000374043750 387415494 /nfs/dbraw/zinc/41/54/94/387415494.db2.gz PJNVNRMFCOQWGH-KWQFWETISA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1nccs1 ZINC000361582775 387500663 /nfs/dbraw/zinc/50/06/63/387500663.db2.gz BAUAPGXHMDUCQY-ZJUUUORDSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nccs1 ZINC000361582775 387500668 /nfs/dbraw/zinc/50/06/68/387500668.db2.gz BAUAPGXHMDUCQY-ZJUUUORDSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@H](CC(N)=O)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000122260725 387501563 /nfs/dbraw/zinc/50/15/63/387501563.db2.gz DGHGTWHHABLNRY-ZCFIWIBFSA-N 1 2 247.220 1.776 20 0 BDADLO O[C@H]1COCC[N@H+](Cc2cscc2Cl)C1 ZINC000648686276 387504684 /nfs/dbraw/zinc/50/46/84/387504684.db2.gz CAJSHYJZZDNUIU-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO O[C@H]1COCC[N@@H+](Cc2cscc2Cl)C1 ZINC000648686276 387504688 /nfs/dbraw/zinc/50/46/88/387504688.db2.gz CAJSHYJZZDNUIU-SECBINFHSA-N 1 2 247.747 1.595 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccnn1C ZINC000355281183 387511180 /nfs/dbraw/zinc/51/11/80/387511180.db2.gz NYCQGNDIIMWVCY-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccnn1C ZINC000355281183 387511183 /nfs/dbraw/zinc/51/11/83/387511183.db2.gz NYCQGNDIIMWVCY-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2c(C)n[nH]c2C)n1 ZINC000361611765 387511663 /nfs/dbraw/zinc/51/16/63/387511663.db2.gz RQIMHAUBZCTAAX-QMMMGPOBSA-N 1 2 235.291 1.569 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H]1C[C@@H](O)C1(C)C ZINC000516491806 387514216 /nfs/dbraw/zinc/51/42/16/387514216.db2.gz LUYVBCWCOOGJFK-VHSXEESVSA-N 1 2 221.304 1.665 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000361640374 387515013 /nfs/dbraw/zinc/51/50/13/387515013.db2.gz UIGJDRYLDRWRMW-GUBZILKMSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000361640374 387515019 /nfs/dbraw/zinc/51/50/19/387515019.db2.gz UIGJDRYLDRWRMW-GUBZILKMSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)CCc1cccnc1 ZINC000361642674 387516049 /nfs/dbraw/zinc/51/60/49/387516049.db2.gz JYTDVVHJKQYGMY-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)CCc1cccnc1 ZINC000361642674 387516050 /nfs/dbraw/zinc/51/60/50/387516050.db2.gz JYTDVVHJKQYGMY-JTQLQIEISA-N 1 2 222.288 1.117 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000361640376 387516078 /nfs/dbraw/zinc/51/60/78/387516078.db2.gz UIGJDRYLDRWRMW-LPEHRKFASA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000361640376 387516083 /nfs/dbraw/zinc/51/60/83/387516083.db2.gz UIGJDRYLDRWRMW-LPEHRKFASA-N 1 2 215.293 1.047 20 0 BDADLO C[N@H+](Cc1ncccn1)[C@@H](CO)c1ccccc1 ZINC000361712836 387524341 /nfs/dbraw/zinc/52/43/41/387524341.db2.gz COERMATXPUPYHR-ZDUSSCGKSA-N 1 2 243.310 1.642 20 0 BDADLO C[N@@H+](Cc1ncccn1)[C@@H](CO)c1ccccc1 ZINC000361712836 387524347 /nfs/dbraw/zinc/52/43/47/387524347.db2.gz COERMATXPUPYHR-ZDUSSCGKSA-N 1 2 243.310 1.642 20 0 BDADLO COCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000192679691 387524520 /nfs/dbraw/zinc/52/45/20/387524520.db2.gz YGCTYABKXJNUDZ-QMMMGPOBSA-N 1 2 227.308 1.664 20 0 BDADLO C[S@](=O)Cc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000355502804 387544150 /nfs/dbraw/zinc/54/41/50/387544150.db2.gz SSMVVLVTSIKLEE-KRWDZBQOSA-N 1 2 249.339 1.900 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CCCC[C@H]1OC)C1CC1 ZINC000361748024 387529165 /nfs/dbraw/zinc/52/91/65/387529165.db2.gz PZUHPBNNJIXYDW-IJLUTSLNSA-N 1 2 241.331 1.485 20 0 BDADLO CO[C@H](C)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375355810 387531809 /nfs/dbraw/zinc/53/18/09/387531809.db2.gz PTIJBBYPIJWQOO-SNVBAGLBSA-N 1 2 239.290 1.364 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C1CC1)C1CC1 ZINC000310160556 387534588 /nfs/dbraw/zinc/53/45/88/387534588.db2.gz LEVNAPPSFWTILD-UHFFFAOYSA-N 1 2 233.315 1.804 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)s1 ZINC000426162652 387544631 /nfs/dbraw/zinc/54/46/31/387544631.db2.gz PWLFSDVILJTIGQ-IONNQARKSA-N 1 2 227.333 1.049 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)s1 ZINC000426162652 387544635 /nfs/dbraw/zinc/54/46/35/387544635.db2.gz PWLFSDVILJTIGQ-IONNQARKSA-N 1 2 227.333 1.049 20 0 BDADLO Cn1ncc(Br)c1C[NH+]1CCCC1 ZINC000278443216 387541307 /nfs/dbraw/zinc/54/13/07/387541307.db2.gz UYXCKILPHFBHOQ-UHFFFAOYSA-N 1 2 244.136 1.778 20 0 BDADLO COC(=O)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000374529669 387463907 /nfs/dbraw/zinc/46/39/07/387463907.db2.gz JURQCSMYEOREPR-UHFFFAOYSA-N 1 2 235.283 1.932 20 0 BDADLO COC(=O)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000374529669 387463913 /nfs/dbraw/zinc/46/39/13/387463913.db2.gz JURQCSMYEOREPR-UHFFFAOYSA-N 1 2 235.283 1.932 20 0 BDADLO COC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000355092924 387479026 /nfs/dbraw/zinc/47/90/26/387479026.db2.gz ZGOHBFKWNYQGDM-WOPDTQHZSA-N 1 2 243.347 1.590 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000361529558 387481434 /nfs/dbraw/zinc/48/14/34/387481434.db2.gz FFAULEWKFGCVOB-NNYUYHANSA-N 1 2 233.315 1.434 20 0 BDADLO C[C@@H]1[N@H+](Cc2ccnn2C)CCOC1(C)C ZINC000336631642 387484967 /nfs/dbraw/zinc/48/49/67/387484967.db2.gz JUOFCWJPOWASNO-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1[N@@H+](Cc2ccnn2C)CCOC1(C)C ZINC000336631642 387484973 /nfs/dbraw/zinc/48/49/73/387484973.db2.gz JUOFCWJPOWASNO-JTQLQIEISA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000421916483 387489707 /nfs/dbraw/zinc/48/97/07/387489707.db2.gz NXSIWGGHVJTBAA-VIFPVBQESA-N 1 2 209.293 1.505 20 0 BDADLO CC[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000421916481 387490299 /nfs/dbraw/zinc/49/02/99/387490299.db2.gz NXSIWGGHVJTBAA-SECBINFHSA-N 1 2 209.293 1.505 20 0 BDADLO C/C=C/C=C/C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000375779441 387581254 /nfs/dbraw/zinc/58/12/54/387581254.db2.gz XDXVQDOHJWQWOJ-KVOZUEDISA-N 1 2 245.326 1.755 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)C ZINC000362206683 387583891 /nfs/dbraw/zinc/58/38/91/387583891.db2.gz DTUYSIWMJCDFBJ-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO FC1(C[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000527509502 387586275 /nfs/dbraw/zinc/58/62/75/387586275.db2.gz NYWAHPPZCGSLMW-UHFFFAOYSA-N 1 2 236.294 1.101 20 0 BDADLO O=C(CO)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000305692230 387628480 /nfs/dbraw/zinc/62/84/80/387628480.db2.gz CDEXYUYFJPXCTL-UHFFFAOYSA-N 1 2 217.228 1.008 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000305689531 387628902 /nfs/dbraw/zinc/62/89/02/387628902.db2.gz RCMKOZMMYWPTMO-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000305689531 387628906 /nfs/dbraw/zinc/62/89/06/387628906.db2.gz RCMKOZMMYWPTMO-SECBINFHSA-N 1 2 239.319 1.540 20 0 BDADLO COCc1noc(C[N@H+]2CC(C)=C[C@H](C)C2)n1 ZINC000430264470 387602996 /nfs/dbraw/zinc/60/29/96/387602996.db2.gz BHHWPNITVMROPR-VIFPVBQESA-N 1 2 237.303 1.614 20 0 BDADLO COCc1noc(C[N@@H+]2CC(C)=C[C@H](C)C2)n1 ZINC000430264470 387602999 /nfs/dbraw/zinc/60/29/99/387602999.db2.gz BHHWPNITVMROPR-VIFPVBQESA-N 1 2 237.303 1.614 20 0 BDADLO Cn1nnnc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000356042156 387609938 /nfs/dbraw/zinc/60/99/38/387609938.db2.gz RZBRVKSMWHEHNA-GFCCVEGCSA-N 1 2 243.314 1.329 20 0 BDADLO Cn1nnnc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000356042156 387609939 /nfs/dbraw/zinc/60/99/39/387609939.db2.gz RZBRVKSMWHEHNA-GFCCVEGCSA-N 1 2 243.314 1.329 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC000397183985 387549469 /nfs/dbraw/zinc/54/94/69/387549469.db2.gz KRIXYUAWEMNBRO-LOWVWBTDSA-N 1 2 225.332 1.962 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC000397183987 387549750 /nfs/dbraw/zinc/54/97/50/387549750.db2.gz KRIXYUAWEMNBRO-WZRBSPASSA-N 1 2 225.332 1.962 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000122591970 387552490 /nfs/dbraw/zinc/55/24/90/387552490.db2.gz DURZNNJRYWNONX-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000122591970 387552494 /nfs/dbraw/zinc/55/24/94/387552494.db2.gz DURZNNJRYWNONX-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CCCC(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000367391449 387569305 /nfs/dbraw/zinc/56/93/05/387569305.db2.gz CYYGNMMHAZIWDW-UHFFFAOYSA-N 1 2 231.259 1.401 20 0 BDADLO Cc1cccc([C@]2(F)CC[N@H+](CC(N)=O)C2)c1 ZINC000377156147 387695086 /nfs/dbraw/zinc/69/50/86/387695086.db2.gz YJGQBDKZQOYJJT-ZDUSSCGKSA-N 1 2 236.290 1.351 20 0 BDADLO Cc1cccc([C@]2(F)CC[N@@H+](CC(N)=O)C2)c1 ZINC000377156147 387695092 /nfs/dbraw/zinc/69/50/92/387695092.db2.gz YJGQBDKZQOYJJT-ZDUSSCGKSA-N 1 2 236.290 1.351 20 0 BDADLO CC(C)c1nc(N2CC[C@@H](CO)[C@@H]2C)cc[nH+]1 ZINC000362661227 387646397 /nfs/dbraw/zinc/64/63/97/387646397.db2.gz CWPGIRDFZLETTC-QWRGUYRKSA-N 1 2 235.331 1.807 20 0 BDADLO CC[C@H](NC(=O)c1ccc[nH]1)c1[nH]cc[nH+]1 ZINC000125317538 387650577 /nfs/dbraw/zinc/65/05/77/387650577.db2.gz FUIRJFNFNLOUKW-QMMMGPOBSA-N 1 2 218.260 1.619 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccnc(C)c2)[nH]1 ZINC000527689074 387653620 /nfs/dbraw/zinc/65/36/20/387653620.db2.gz VPIKHFXRWADEBK-SNVBAGLBSA-N 1 2 245.330 1.921 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000356401917 387654035 /nfs/dbraw/zinc/65/40/35/387654035.db2.gz XATMJFGYMHIAAB-DCAQKATOSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000356401917 387654037 /nfs/dbraw/zinc/65/40/37/387654037.db2.gz XATMJFGYMHIAAB-DCAQKATOSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000356401917 387654041 /nfs/dbraw/zinc/65/40/41/387654041.db2.gz XATMJFGYMHIAAB-DCAQKATOSA-N 1 2 223.320 1.716 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000356401917 387654044 /nfs/dbraw/zinc/65/40/44/387654044.db2.gz XATMJFGYMHIAAB-DCAQKATOSA-N 1 2 223.320 1.716 20 0 BDADLO C[N@H+](CCCF)CC(=O)OC(C)(C)C ZINC000125952954 387667669 /nfs/dbraw/zinc/66/76/69/387667669.db2.gz QEBSKGQPCCTLJH-UHFFFAOYSA-N 1 2 205.273 1.620 20 0 BDADLO C[N@@H+](CCCF)CC(=O)OC(C)(C)C ZINC000125952954 387667672 /nfs/dbraw/zinc/66/76/72/387667672.db2.gz QEBSKGQPCCTLJH-UHFFFAOYSA-N 1 2 205.273 1.620 20 0 BDADLO COCC1(C(=O)Nc2ccc(N)[nH+]c2)CCC1 ZINC000422793143 387695923 /nfs/dbraw/zinc/69/59/23/387695923.db2.gz RSZRJJURWMPRLU-UHFFFAOYSA-N 1 2 235.287 1.249 20 0 BDADLO COC[C@H]([NH2+][C@H](CC(C)C)C(=O)OC)C1CC1 ZINC000126169404 387673491 /nfs/dbraw/zinc/67/34/91/387673491.db2.gz MKKALXTYJZKSOO-NEPJUHHUSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)OCC1CC1)C2 ZINC000376911766 387678115 /nfs/dbraw/zinc/67/81/15/387678115.db2.gz RSYWGRBWFRMBEH-LLVKDONJSA-N 1 2 249.314 1.643 20 0 BDADLO CC[C@@H](F)C[N@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000440711206 387678007 /nfs/dbraw/zinc/67/80/07/387678007.db2.gz IBRDDZBYQRVZAO-VHSXEESVSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@@H](F)C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000440711206 387678015 /nfs/dbraw/zinc/67/80/15/387678015.db2.gz IBRDDZBYQRVZAO-VHSXEESVSA-N 1 2 239.356 1.490 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCCCC1 ZINC000363078448 387688878 /nfs/dbraw/zinc/68/88/78/387688878.db2.gz SFTPMYOOFNBPEH-LBPRGKRZSA-N 1 2 247.342 1.848 20 0 BDADLO CC[C@H](F)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000440777047 387693924 /nfs/dbraw/zinc/69/39/24/387693924.db2.gz DYKHXUJLPAVNAN-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO CC[C@H](F)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000440777047 387693927 /nfs/dbraw/zinc/69/39/27/387693927.db2.gz DYKHXUJLPAVNAN-ZJUUUORDSA-N 1 2 237.340 1.101 20 0 BDADLO COc1ccc[nH+]c1N(C)CC(=O)NC(C)C ZINC000527828478 387748396 /nfs/dbraw/zinc/74/83/96/387748396.db2.gz ALTHKDZHABJNQJ-UHFFFAOYSA-N 1 2 237.303 1.051 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC000440778742 387697627 /nfs/dbraw/zinc/69/76/27/387697627.db2.gz LCOQQKWUDYQVQP-ZETCQYMHSA-N 1 2 249.240 1.220 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC000440778742 387697629 /nfs/dbraw/zinc/69/76/29/387697629.db2.gz LCOQQKWUDYQVQP-ZETCQYMHSA-N 1 2 249.240 1.220 20 0 BDADLO C[C@@H](F)CCNC(=O)CCc1c[nH+]cn1C ZINC000356684721 387700559 /nfs/dbraw/zinc/70/05/59/387700559.db2.gz YOLVATQGSUBXHG-SECBINFHSA-N 1 2 227.283 1.217 20 0 BDADLO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)OC ZINC000452020541 387701275 /nfs/dbraw/zinc/70/12/75/387701275.db2.gz NGSDECRCMGOHGS-IVZWLZJFSA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000440797000 387702022 /nfs/dbraw/zinc/70/20/22/387702022.db2.gz MLFKWYDKWUNTLN-UWVGGRQHSA-N 1 2 226.299 1.700 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@H]1c1nncn1C ZINC000440797000 387702024 /nfs/dbraw/zinc/70/20/24/387702024.db2.gz MLFKWYDKWUNTLN-UWVGGRQHSA-N 1 2 226.299 1.700 20 0 BDADLO CCn1ncc(C[NH2+]Cc2scnc2C)n1 ZINC000527737882 387703766 /nfs/dbraw/zinc/70/37/66/387703766.db2.gz ZSSHKFPMVPGIBL-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CSCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000306673732 387705362 /nfs/dbraw/zinc/70/53/62/387705362.db2.gz OHUJELCWUBDBOQ-ZDUSSCGKSA-N 1 2 221.391 1.192 20 0 BDADLO CSCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000306673732 387705367 /nfs/dbraw/zinc/70/53/67/387705367.db2.gz OHUJELCWUBDBOQ-ZDUSSCGKSA-N 1 2 221.391 1.192 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000356739614 387713204 /nfs/dbraw/zinc/71/32/04/387713204.db2.gz OAHKCGIFXXKMRC-NSHDSACASA-N 1 2 238.331 1.967 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000356739614 387713208 /nfs/dbraw/zinc/71/32/08/387713208.db2.gz OAHKCGIFXXKMRC-NSHDSACASA-N 1 2 238.331 1.967 20 0 BDADLO CC(C)CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526662 387723416 /nfs/dbraw/zinc/72/34/16/387723416.db2.gz WQHIJAWLWOMAHJ-SNVBAGLBSA-N 1 2 238.335 1.736 20 0 BDADLO CC(C)CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377526662 387723420 /nfs/dbraw/zinc/72/34/20/387723420.db2.gz WQHIJAWLWOMAHJ-SNVBAGLBSA-N 1 2 238.335 1.736 20 0 BDADLO c1c[nH]c(C[NH+]2CCC(c3cnccn3)CC2)n1 ZINC000367560487 387727040 /nfs/dbraw/zinc/72/70/40/387727040.db2.gz XSADFCCASVVEQR-UHFFFAOYSA-N 1 2 243.314 1.579 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000128124663 387737866 /nfs/dbraw/zinc/73/78/66/387737866.db2.gz LAVQHJZRPIAZLH-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000128124663 387737869 /nfs/dbraw/zinc/73/78/69/387737869.db2.gz LAVQHJZRPIAZLH-MWLCHTKSSA-N 1 2 239.344 1.539 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2OC[C@H]3CCC[C@H]23)cc[nH+]1 ZINC000367668006 387740778 /nfs/dbraw/zinc/74/07/78/387740778.db2.gz GFHHZAMDNASMOZ-KGYLQXTDSA-N 1 2 246.310 1.566 20 0 BDADLO Cc1noc([C@H](C)[NH2+]Cc2cccnc2C)n1 ZINC000356887972 387742097 /nfs/dbraw/zinc/74/20/97/387742097.db2.gz CARYWQFEODKMHR-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CSCC[N@H+](C)Cc1nnc2n1CCCC2 ZINC000378180180 387770378 /nfs/dbraw/zinc/77/03/78/387770378.db2.gz ROEMOSOPCPAMMO-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO CSCC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000378180180 387770381 /nfs/dbraw/zinc/77/03/81/387770381.db2.gz ROEMOSOPCPAMMO-UHFFFAOYSA-N 1 2 240.376 1.409 20 0 BDADLO COCc1ccc(CNc2cccc(CO)[nH+]2)o1 ZINC000432746439 387812192 /nfs/dbraw/zinc/81/21/92/387812192.db2.gz HYCVKJHHZVHVJG-UHFFFAOYSA-N 1 2 248.282 1.925 20 0 BDADLO COc1ccc[nH+]c1NCC1(C)COC1 ZINC000527895861 387778072 /nfs/dbraw/zinc/77/80/72/387778072.db2.gz UZIGRVUHJFISIY-UHFFFAOYSA-N 1 2 208.261 1.539 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000378353009 387778396 /nfs/dbraw/zinc/77/83/96/387778396.db2.gz ZRBNCOMDOKUMKR-LLVKDONJSA-N 1 2 246.310 1.732 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000378353009 387778400 /nfs/dbraw/zinc/77/84/00/387778400.db2.gz ZRBNCOMDOKUMKR-LLVKDONJSA-N 1 2 246.310 1.732 20 0 BDADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCC12CC2 ZINC000527942967 387780861 /nfs/dbraw/zinc/78/08/61/387780861.db2.gz IAOBDICSLWQVGO-LLVKDONJSA-N 1 2 233.315 1.580 20 0 BDADLO COc1ccc[nH+]c1N(C)C[C@H]1CCC[C@@H]1O ZINC000527938930 387781153 /nfs/dbraw/zinc/78/11/53/387781153.db2.gz KKSHSDULTPMCDW-MNOVXSKESA-N 1 2 236.315 1.687 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC000378369790 387781360 /nfs/dbraw/zinc/78/13/60/387781360.db2.gz JXCAEZCVTQZPHF-WDEREUQCSA-N 1 2 249.314 1.263 20 0 BDADLO CC=CC=CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378387729 387782509 /nfs/dbraw/zinc/78/25/09/387782509.db2.gz FGPGOZHESGBJKQ-PQSAUHCHSA-N 1 2 231.299 1.516 20 0 BDADLO CC=CC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378387729 387782514 /nfs/dbraw/zinc/78/25/14/387782514.db2.gz FGPGOZHESGBJKQ-PQSAUHCHSA-N 1 2 231.299 1.516 20 0 BDADLO Clc1cncnc1NCCn1cc[nH+]c1 ZINC000163594500 387786527 /nfs/dbraw/zinc/78/65/27/387786527.db2.gz ZBYHVKZXSPSOFM-UHFFFAOYSA-N 1 2 223.667 1.439 20 0 BDADLO Cc1ccc(O)c(C[NH+]2CC(n3cccn3)C2)n1 ZINC000359973887 387791455 /nfs/dbraw/zinc/79/14/55/387791455.db2.gz MOHRAJSCLUYYDK-UHFFFAOYSA-N 1 2 244.298 1.349 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000050506578 387795985 /nfs/dbraw/zinc/79/59/85/387795985.db2.gz JKIKKBKEXJXQKN-YPMHNXCESA-N 1 2 249.310 1.527 20 0 BDADLO COCCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334750 387805446 /nfs/dbraw/zinc/80/54/46/387805446.db2.gz NTXOJNPWIAFZLI-UHFFFAOYSA-N 1 2 237.303 1.585 20 0 BDADLO COC[C@H](C)[N@H+](C)Cc1cscn1 ZINC000193896777 387807235 /nfs/dbraw/zinc/80/72/35/387807235.db2.gz LIWCCDOQZKBIJR-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO COC[C@H](C)[N@@H+](C)Cc1cscn1 ZINC000193896777 387807240 /nfs/dbraw/zinc/80/72/40/387807240.db2.gz LIWCCDOQZKBIJR-QMMMGPOBSA-N 1 2 200.307 1.610 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000360016741 387821522 /nfs/dbraw/zinc/82/15/22/387821522.db2.gz BTUWSSUTUNZRJI-NXEZZACHSA-N 1 2 221.304 1.360 20 0 BDADLO CC[C@](C)(C[NH2+][C@H](C(=O)OC)C1CC1)OC ZINC000322508285 387828752 /nfs/dbraw/zinc/82/87/52/387828752.db2.gz IEJAPBFGWBEFRU-CMPLNLGQSA-N 1 2 229.320 1.343 20 0 BDADLO Cn1cc(C[NH2+][C@@H]2CCCc3occc32)nn1 ZINC000054859052 387829855 /nfs/dbraw/zinc/82/98/55/387829855.db2.gz NYWFBCVWNVJICC-LLVKDONJSA-N 1 2 232.287 1.575 20 0 BDADLO CCn1cccc(CNc2cc(C)[nH+]cn2)c1=O ZINC000432849153 387833831 /nfs/dbraw/zinc/83/38/31/387833831.db2.gz ZNAXFHVMNHZVMW-UHFFFAOYSA-N 1 2 244.298 1.001 20 0 BDADLO C/C=C/C[C@H]([NH2+]C1CC(OC)C1)C(=O)OCC ZINC000432918429 387840191 /nfs/dbraw/zinc/84/01/91/387840191.db2.gz SCNUYYLMBDKXLP-CXDXVQSMSA-N 1 2 241.331 1.651 20 0 BDADLO CC[C@@H](NC(=O)Cn1cc(C)cn1)c1[nH]cc[nH+]1 ZINC000442807309 387846439 /nfs/dbraw/zinc/84/64/39/387846439.db2.gz DIWVYHBBTZULJY-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO COCC1(C)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000432939978 387846697 /nfs/dbraw/zinc/84/66/97/387846697.db2.gz SZJXYIVBZUJMQL-UHFFFAOYSA-N 1 2 235.331 1.875 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCSC ZINC000157633114 387860387 /nfs/dbraw/zinc/86/03/87/387860387.db2.gz GGTXVSYFMZSQQB-QMMMGPOBSA-N 1 2 205.323 1.233 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCSC ZINC000157633114 387860394 /nfs/dbraw/zinc/86/03/94/387860394.db2.gz GGTXVSYFMZSQQB-QMMMGPOBSA-N 1 2 205.323 1.233 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@]1(C)CC ZINC000452571497 387861810 /nfs/dbraw/zinc/86/18/10/387861810.db2.gz PDEQIOYRIIBUOY-GXFFZTMASA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@]1(C)CC ZINC000452571496 387862707 /nfs/dbraw/zinc/86/27/07/387862707.db2.gz PDEQIOYRIIBUOY-GWCFXTLKSA-N 1 2 235.331 1.955 20 0 BDADLO CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000423070514 387872149 /nfs/dbraw/zinc/87/21/49/387872149.db2.gz CYLYFIVCZFSKIJ-CHWSQXEVSA-N 1 2 239.407 1.578 20 0 BDADLO CCn1ccc(CNc2[nH+]cccc2OC)n1 ZINC000528034536 387818634 /nfs/dbraw/zinc/81/86/34/387818634.db2.gz ZVOFCUDJTQNAPH-UHFFFAOYSA-N 1 2 232.287 1.919 20 0 BDADLO CCOC(=O)[C@@H](CC)SCCn1cc[nH+]c1 ZINC000194547566 387893437 /nfs/dbraw/zinc/89/34/37/387893437.db2.gz RPPKEYVUGIYRDN-SNVBAGLBSA-N 1 2 242.344 1.958 20 0 BDADLO c1cc2[nH+]ccc(NCC34CC(C3)CO4)c2cn1 ZINC000528185083 387875215 /nfs/dbraw/zinc/87/52/15/387875215.db2.gz ZMDXVPICUVITFJ-UHFFFAOYSA-N 1 2 241.294 1.643 20 0 BDADLO Cc1cc(NCc2cccnc2C)nc[nH+]1 ZINC000528185185 387875810 /nfs/dbraw/zinc/87/58/10/387875810.db2.gz MNJVCOCHUXRBRA-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO CCOC(C)(C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000443997314 387881167 /nfs/dbraw/zinc/88/11/67/387881167.db2.gz WPICVZLFEBNNQL-UHFFFAOYSA-N 1 2 248.330 1.915 20 0 BDADLO Cc1cnccc1CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000645861919 387883150 /nfs/dbraw/zinc/88/31/50/387883150.db2.gz DRMFGWISUTWVFD-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO Cc1cnccc1CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000645861919 387883153 /nfs/dbraw/zinc/88/31/53/387883153.db2.gz DRMFGWISUTWVFD-LBPRGKRZSA-N 1 2 247.342 1.095 20 0 BDADLO C[C@@H](C(N)=O)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702716 387912963 /nfs/dbraw/zinc/91/29/63/387912963.db2.gz JFKHNEYGJKCFQK-ZETCQYMHSA-N 1 2 228.242 1.270 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444702716 387912965 /nfs/dbraw/zinc/91/29/65/387912965.db2.gz JFKHNEYGJKCFQK-ZETCQYMHSA-N 1 2 228.242 1.270 20 0 BDADLO Cc1cnc(N(C)CC[NH+]2CCOCC2)s1 ZINC000195261485 387916183 /nfs/dbraw/zinc/91/61/83/387916183.db2.gz FJGAYJRTDFBALP-UHFFFAOYSA-N 1 2 241.360 1.220 20 0 BDADLO CC1(C)CCC[C@](O)(C[NH2+]Cc2ccn[nH]2)C1 ZINC000438364742 387929643 /nfs/dbraw/zinc/92/96/43/387929643.db2.gz PAKIBTMUOBGMMY-CYBMUJFWSA-N 1 2 237.347 1.831 20 0 BDADLO Cn1nncc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424208628 387929880 /nfs/dbraw/zinc/92/98/80/387929880.db2.gz YIBNVZMECBQRSO-CHWSQXEVSA-N 1 2 246.289 1.542 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccn(C)n2)[C@H](C)[C@@H](C)O1 ZINC000438371546 387930964 /nfs/dbraw/zinc/93/09/64/387930964.db2.gz KLNNCJGMNVOCQL-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccn(C)n2)[C@H](C)[C@@H](C)O1 ZINC000438371546 387930968 /nfs/dbraw/zinc/93/09/68/387930968.db2.gz KLNNCJGMNVOCQL-GMTAPVOTSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000438574180 387945407 /nfs/dbraw/zinc/94/54/07/387945407.db2.gz CHFNSIXHIWBKLX-MXWKQRLJSA-N 1 2 233.315 1.218 20 0 BDADLO Cc1nc(NCc2c[nH+]c3cccc(C)n23)n[nH]1 ZINC000453050059 387971740 /nfs/dbraw/zinc/97/17/40/387971740.db2.gz SMILVSBKRWTHQY-UHFFFAOYSA-N 1 2 242.286 1.103 20 0 BDADLO Cc1nc2n(n1)CC[N@H+](CC1=CCCC1)C2 ZINC000645812462 387978541 /nfs/dbraw/zinc/97/85/41/387978541.db2.gz LLIHHINWGKDYIW-UHFFFAOYSA-N 1 2 218.304 1.512 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+](CC1=CCCC1)C2 ZINC000645812462 387978545 /nfs/dbraw/zinc/97/85/45/387978545.db2.gz LLIHHINWGKDYIW-UHFFFAOYSA-N 1 2 218.304 1.512 20 0 BDADLO O=C(Nc1cn[nH]c1)Nc1ccn2cc[nH+]c2c1 ZINC000439018949 387975746 /nfs/dbraw/zinc/97/57/46/387975746.db2.gz JYQSEBBIWDDRLA-UHFFFAOYSA-N 1 2 242.242 1.701 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000245892674 387990655 /nfs/dbraw/zinc/99/06/55/387990655.db2.gz RZWSLYVSTLIZOE-JGVFFNPUSA-N 1 2 213.281 1.006 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000245892674 387990658 /nfs/dbraw/zinc/99/06/58/387990658.db2.gz RZWSLYVSTLIZOE-JGVFFNPUSA-N 1 2 213.281 1.006 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)nn1C ZINC000446070968 387992097 /nfs/dbraw/zinc/99/20/97/387992097.db2.gz IJUFEHQUKXLQDM-SRVKXCTJSA-N 1 2 237.347 1.726 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)nn1C ZINC000446070968 387992100 /nfs/dbraw/zinc/99/21/00/387992100.db2.gz IJUFEHQUKXLQDM-SRVKXCTJSA-N 1 2 237.347 1.726 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000245770656 387983101 /nfs/dbraw/zinc/98/31/01/387983101.db2.gz RSTXSNPRYVSYNF-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000245770656 387983102 /nfs/dbraw/zinc/98/31/02/387983102.db2.gz RSTXSNPRYVSYNF-MNOVXSKESA-N 1 2 223.320 1.512 20 0 BDADLO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)[C@H](C)[C@H](C)O1 ZINC000446072282 387995745 /nfs/dbraw/zinc/99/57/45/387995745.db2.gz PJQFNIHLTAVPJA-HXFLIBJXSA-N 1 2 241.253 1.407 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)[C@H](C)[C@H](C)O1 ZINC000446072282 387995748 /nfs/dbraw/zinc/99/57/48/387995748.db2.gz PJQFNIHLTAVPJA-HXFLIBJXSA-N 1 2 241.253 1.407 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446081704 387997265 /nfs/dbraw/zinc/99/72/65/387997265.db2.gz WPWYGQXZIBSTQS-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446081704 387997268 /nfs/dbraw/zinc/99/72/68/387997268.db2.gz WPWYGQXZIBSTQS-TUAOUCFPSA-N 1 2 242.363 1.256 20 0 BDADLO CCOC(=O)C[C@@H](C)SCc1c[nH+]cn1C ZINC000439529831 388008143 /nfs/dbraw/zinc/00/81/43/388008143.db2.gz OBAKLOJELJQGDO-SECBINFHSA-N 1 2 242.344 1.995 20 0 BDADLO Cn1c[nH+]cc1Cn1c2ccccc2oc1=O ZINC000439559373 388009647 /nfs/dbraw/zinc/00/96/47/388009647.db2.gz DFTIIIUDBDTQAM-UHFFFAOYSA-N 1 2 229.239 1.376 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)o1 ZINC000249125462 388009846 /nfs/dbraw/zinc/00/98/46/388009846.db2.gz IVLZEMDGJNUEED-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)o1 ZINC000249125462 388009849 /nfs/dbraw/zinc/00/98/49/388009849.db2.gz IVLZEMDGJNUEED-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO O=C(CCc1ccoc1)NCc1[nH]cc[nH+]1 ZINC000439952292 388024585 /nfs/dbraw/zinc/02/45/85/388024585.db2.gz TZKJDEJQIZUYJO-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](CCO)C2CCC2)n1 ZINC000420925440 388016631 /nfs/dbraw/zinc/01/66/31/388016631.db2.gz VYYKYMIZAUGEOF-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](CCO)C2CCC2)n1 ZINC000420925440 388016633 /nfs/dbraw/zinc/01/66/33/388016633.db2.gz VYYKYMIZAUGEOF-UHFFFAOYSA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000440500250 388044796 /nfs/dbraw/zinc/04/47/96/388044796.db2.gz YYFFWPIFTWWYBN-DCAQKATOSA-N 1 2 219.300 1.470 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000440500250 388044801 /nfs/dbraw/zinc/04/48/01/388044801.db2.gz YYFFWPIFTWWYBN-DCAQKATOSA-N 1 2 219.300 1.470 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nsc(N(C)C)n1 ZINC000156863313 388043212 /nfs/dbraw/zinc/04/32/12/388043212.db2.gz MATVZZKMJOSGNP-DTORHVGOSA-N 1 2 240.376 1.977 20 0 BDADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000156863313 388043213 /nfs/dbraw/zinc/04/32/13/388043213.db2.gz MATVZZKMJOSGNP-DTORHVGOSA-N 1 2 240.376 1.977 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC1(O)CCC1 ZINC000448834434 388114515 /nfs/dbraw/zinc/11/45/15/388114515.db2.gz GREURCCCDVUHGS-UHFFFAOYSA-N 1 2 236.271 1.334 20 0 BDADLO CC[C@H](F)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000440689999 388066206 /nfs/dbraw/zinc/06/62/06/388066206.db2.gz BVYCXHDUYDJAIL-VIFPVBQESA-N 1 2 242.260 1.914 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000440702311 388071779 /nfs/dbraw/zinc/07/17/79/388071779.db2.gz DKLUFNWDGPEWHI-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000440702311 388071781 /nfs/dbraw/zinc/07/17/81/388071781.db2.gz DKLUFNWDGPEWHI-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO CC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)C(=O)NC ZINC000453409197 388075822 /nfs/dbraw/zinc/07/58/22/388075822.db2.gz QXXFJPMXDDBKQI-IONNQARKSA-N 1 2 241.360 1.627 20 0 BDADLO CC(C)c1nc(N2C[C@@H](O)C(C)(C)C2)cc[nH+]1 ZINC000447814174 388095108 /nfs/dbraw/zinc/09/51/08/388095108.db2.gz YXZOZEQKJATMIK-SNVBAGLBSA-N 1 2 235.331 1.807 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2nncn2C)[C@H]1C ZINC000118411690 388095491 /nfs/dbraw/zinc/09/54/91/388095491.db2.gz LVSCHAOEKSOIAS-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2nncn2C)[C@H]1C ZINC000118411690 388095494 /nfs/dbraw/zinc/09/54/94/388095494.db2.gz LVSCHAOEKSOIAS-IUCAKERBSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2nncn2C)[C@@H]1C ZINC000118411692 388095502 /nfs/dbraw/zinc/09/55/02/388095502.db2.gz LVSCHAOEKSOIAS-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2nncn2C)[C@@H]1C ZINC000118411692 388095503 /nfs/dbraw/zinc/09/55/03/388095503.db2.gz LVSCHAOEKSOIAS-RKDXNWHRSA-N 1 2 226.349 1.141 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447840422 388096230 /nfs/dbraw/zinc/09/62/30/388096230.db2.gz RYGDURXMLAMTMS-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447840422 388096232 /nfs/dbraw/zinc/09/62/32/388096232.db2.gz RYGDURXMLAMTMS-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CCCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454185943 388105131 /nfs/dbraw/zinc/10/51/31/388105131.db2.gz ALJAEIGTYCUDGB-VIFPVBQESA-N 1 2 224.308 1.673 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000440496417 388045165 /nfs/dbraw/zinc/04/51/65/388045165.db2.gz ONWTTYNAWZPMJL-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000440496417 388045167 /nfs/dbraw/zinc/04/51/67/388045167.db2.gz ONWTTYNAWZPMJL-ZJUUUORDSA-N 1 2 237.340 1.244 20 0 BDADLO Cc1cccc2[nH+]c(CCNC(=O)N(C)C)cn21 ZINC000645895920 388045677 /nfs/dbraw/zinc/04/56/77/388045677.db2.gz SBWOBLKAISMCOQ-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000440503277 388047004 /nfs/dbraw/zinc/04/70/04/388047004.db2.gz TWOCANXLGLPRIM-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000440503277 388047006 /nfs/dbraw/zinc/04/70/06/388047006.db2.gz TWOCANXLGLPRIM-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO CCC[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000449258370 388163125 /nfs/dbraw/zinc/16/31/25/388163125.db2.gz PEYLYDJFMDGEEI-UTLUCORTSA-N 1 2 231.361 1.669 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccncc2F)C[C@@H]1OC ZINC000449286424 388167131 /nfs/dbraw/zinc/16/71/31/388167131.db2.gz UBZLAIFVQWHPJR-TXEJJXNPSA-N 1 2 240.278 1.066 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccncc2F)C[C@@H]1OC ZINC000449286424 388167134 /nfs/dbraw/zinc/16/71/34/388167134.db2.gz UBZLAIFVQWHPJR-TXEJJXNPSA-N 1 2 240.278 1.066 20 0 BDADLO CCCCOCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259617 388172021 /nfs/dbraw/zinc/17/20/21/388172021.db2.gz OVHKHDWCZJHSAG-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO CCCCOCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259617 388172022 /nfs/dbraw/zinc/17/20/22/388172022.db2.gz OVHKHDWCZJHSAG-UHFFFAOYSA-N 1 2 237.303 1.111 20 0 BDADLO Cc1cscc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646257828 388172087 /nfs/dbraw/zinc/17/20/87/388172087.db2.gz LPVRMVJZLPQMLY-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO Cc1cscc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646257828 388172089 /nfs/dbraw/zinc/17/20/89/388172089.db2.gz LPVRMVJZLPQMLY-UHFFFAOYSA-N 1 2 247.323 1.978 20 0 BDADLO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)C(F)F ZINC000449358744 388181803 /nfs/dbraw/zinc/18/18/03/388181803.db2.gz GHZMPNNQUCQOQM-JTQLQIEISA-N 1 2 247.289 1.663 20 0 BDADLO COC(=O)c1ccc(C[NH+]2CC3(CC3)C2)o1 ZINC000449369516 388184102 /nfs/dbraw/zinc/18/41/02/388184102.db2.gz CWNABZSDMUGJCZ-UHFFFAOYSA-N 1 2 221.256 1.662 20 0 BDADLO Oc1cc(F)cc(C[NH2+]C(CF)CF)c1 ZINC000449382232 388185908 /nfs/dbraw/zinc/18/59/08/388185908.db2.gz VWQXLEGVXXSZBC-UHFFFAOYSA-N 1 2 219.206 1.929 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000448934473 388121398 /nfs/dbraw/zinc/12/13/98/388121398.db2.gz DFHXOTRWFNUBCU-VWYCJHECSA-N 1 2 233.315 1.804 20 0 BDADLO CC(C)c1nnc(C[NH+]2CCC(CO)CC2)o1 ZINC000171144470 388121832 /nfs/dbraw/zinc/12/18/32/388121832.db2.gz YYJPJTRJXLLXBP-UHFFFAOYSA-N 1 2 239.319 1.397 20 0 BDADLO CC[C@@H]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000448954506 388123015 /nfs/dbraw/zinc/12/30/15/388123015.db2.gz VSBCMQWQFAPZAR-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO Cc1cc(NC(=O)CCCC(=O)C2CC2)cc[nH+]1 ZINC000448960248 388123527 /nfs/dbraw/zinc/12/35/27/388123527.db2.gz DCJXSZKJEWSLCF-UHFFFAOYSA-N 1 2 246.310 1.900 20 0 BDADLO CC(=O)NCC[N@@H+](C)Cc1ccncc1Cl ZINC000646045782 388131540 /nfs/dbraw/zinc/13/15/40/388131540.db2.gz SRGSWWQZAJWHJD-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC(=O)NCC[N@H+](C)Cc1ccncc1Cl ZINC000646045782 388131542 /nfs/dbraw/zinc/13/15/42/388131542.db2.gz SRGSWWQZAJWHJD-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CCn1nnc(C)c1CNc1cccc[nH+]1 ZINC000449086266 388140583 /nfs/dbraw/zinc/14/05/83/388140583.db2.gz BPZKSCDTWLAVRF-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO Cc1nocc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000646094944 388141441 /nfs/dbraw/zinc/14/14/41/388141441.db2.gz RKJGIVDBINJLBT-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO Cc1nocc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000646094944 388141443 /nfs/dbraw/zinc/14/14/43/388141443.db2.gz RKJGIVDBINJLBT-UHFFFAOYSA-N 1 2 225.292 1.069 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCC[C@@H](C)F ZINC000455031258 388145259 /nfs/dbraw/zinc/14/52/59/388145259.db2.gz ASXBIFDZGZUZLL-SECBINFHSA-N 1 2 242.298 1.450 20 0 BDADLO CC/C=C\CNC(=O)NCc1[nH+]ccn1CC ZINC000455292387 388154608 /nfs/dbraw/zinc/15/46/08/388154608.db2.gz JSXKIBPITIPVOI-WAYWQWQTSA-N 1 2 236.319 1.668 20 0 BDADLO CC(C)[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449660914 388249585 /nfs/dbraw/zinc/24/95/85/388249585.db2.gz YPCCNWINIMAMKH-ZJUUUORDSA-N 1 2 248.317 1.640 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000449664177 388250016 /nfs/dbraw/zinc/25/00/16/388250016.db2.gz PMOXTXNIQBMVGP-QWRGUYRKSA-N 1 2 239.319 1.201 20 0 BDADLO FC(F)Cn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000449396027 388192718 /nfs/dbraw/zinc/19/27/18/388192718.db2.gz RDQYHLIQEWGBGN-SECBINFHSA-N 1 2 233.237 1.692 20 0 BDADLO FC(F)Cn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000449396027 388192720 /nfs/dbraw/zinc/19/27/20/388192720.db2.gz RDQYHLIQEWGBGN-SECBINFHSA-N 1 2 233.237 1.692 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccoc1 ZINC000456348818 388196593 /nfs/dbraw/zinc/19/65/93/388196593.db2.gz INZUXXCEGANAPZ-JTQLQIEISA-N 1 2 247.298 1.916 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc[nH]1 ZINC000456371967 388197983 /nfs/dbraw/zinc/19/79/83/388197983.db2.gz FGYHADVOBWXOFS-VIFPVBQESA-N 1 2 232.287 1.722 20 0 BDADLO CCn1c(C)nnc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489442402 388214566 /nfs/dbraw/zinc/21/45/66/388214566.db2.gz GYCMZMUGHDNGDG-JTQLQIEISA-N 1 2 222.336 1.837 20 0 BDADLO CCn1c(C)nnc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489442402 388214568 /nfs/dbraw/zinc/21/45/68/388214568.db2.gz GYCMZMUGHDNGDG-JTQLQIEISA-N 1 2 222.336 1.837 20 0 BDADLO CCCc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000449524704 388223981 /nfs/dbraw/zinc/22/39/81/388223981.db2.gz PDHVWVWNGVJKNA-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO CCCc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000449524704 388223982 /nfs/dbraw/zinc/22/39/82/388223982.db2.gz PDHVWVWNGVJKNA-LBPRGKRZSA-N 1 2 246.354 1.959 20 0 BDADLO COCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456839694 388226537 /nfs/dbraw/zinc/22/65/37/388226537.db2.gz DGTLLXJTORACIH-UHFFFAOYSA-N 1 2 236.315 1.741 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@@H](O)C2(C)C)[nH+]1 ZINC000489903314 388227925 /nfs/dbraw/zinc/22/79/25/388227925.db2.gz YIUOHWAQEQLSQA-NXEZZACHSA-N 1 2 246.314 1.838 20 0 BDADLO CC[C@@]1(C)CCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000490076166 388233506 /nfs/dbraw/zinc/23/35/06/388233506.db2.gz ZZFJCBKDGOBANV-ZDUSSCGKSA-N 1 2 249.362 1.872 20 0 BDADLO CC[C@@]1(C)CCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000490076166 388233508 /nfs/dbraw/zinc/23/35/08/388233508.db2.gz ZZFJCBKDGOBANV-ZDUSSCGKSA-N 1 2 249.362 1.872 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCCC2(C)C)[nH+]1 ZINC000490121528 388235560 /nfs/dbraw/zinc/23/55/60/388235560.db2.gz WSNWAMCUMMTFTC-JTQLQIEISA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H]2CCCC2(C)C)nc(N(C)C)[nH+]1 ZINC000490121528 388235562 /nfs/dbraw/zinc/23/55/62/388235562.db2.gz WSNWAMCUMMTFTC-JTQLQIEISA-N 1 2 249.362 1.659 20 0 BDADLO CC(C)CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449655357 388247730 /nfs/dbraw/zinc/24/77/30/388247730.db2.gz YULCHORSBJZHOK-SNVBAGLBSA-N 1 2 248.317 1.784 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)CC1(C)C ZINC000451557352 388281179 /nfs/dbraw/zinc/28/11/79/388281179.db2.gz OPOBGJFKIDXTTM-JTQLQIEISA-N 1 2 238.335 1.360 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)CC1(C)C ZINC000451557352 388281181 /nfs/dbraw/zinc/28/11/81/388281181.db2.gz OPOBGJFKIDXTTM-JTQLQIEISA-N 1 2 238.335 1.360 20 0 BDADLO CC[C@@H](CSC)[N@H+](C)Cc1noc(C)n1 ZINC000091099236 256582589 /nfs/dbraw/zinc/58/25/89/256582589.db2.gz BOFUQBNYMSLYPT-VIFPVBQESA-N 1 2 229.349 1.951 20 0 BDADLO CC[C@@H](CSC)[N@@H+](C)Cc1noc(C)n1 ZINC000091099236 256582590 /nfs/dbraw/zinc/58/25/90/256582590.db2.gz BOFUQBNYMSLYPT-VIFPVBQESA-N 1 2 229.349 1.951 20 0 BDADLO C[C@H](CO)[N@H+](C)Cc1c(F)cccc1F ZINC000163472110 388299991 /nfs/dbraw/zinc/29/99/91/388299991.db2.gz VOXWYONLUBQFHO-MRVPVSSYSA-N 1 2 215.243 1.777 20 0 BDADLO C[C@H](CO)[N@@H+](C)Cc1c(F)cccc1F ZINC000163472110 388299992 /nfs/dbraw/zinc/29/99/92/388299992.db2.gz VOXWYONLUBQFHO-MRVPVSSYSA-N 1 2 215.243 1.777 20 0 BDADLO CC[C@H](C)N1CC[NH+](C[C@H](O)CSC)CC1 ZINC000451850750 388301016 /nfs/dbraw/zinc/30/10/16/388301016.db2.gz XVICFNYGIPHGNN-RYUDHWBXSA-N 1 2 246.420 1.126 20 0 BDADLO CCOCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451853591 388301359 /nfs/dbraw/zinc/30/13/59/388301359.db2.gz PDKONHIIALOQQY-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO CCOCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451853591 388301361 /nfs/dbraw/zinc/30/13/61/388301361.db2.gz PDKONHIIALOQQY-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO COCCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451851135 388301564 /nfs/dbraw/zinc/30/15/64/388301564.db2.gz LKUFMIGUOCOAMR-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO COCCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000451851135 388301566 /nfs/dbraw/zinc/30/15/66/388301566.db2.gz LKUFMIGUOCOAMR-VIFPVBQESA-N 1 2 225.279 1.361 20 0 BDADLO OCCC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000491137541 388272823 /nfs/dbraw/zinc/27/28/23/388272823.db2.gz CWEFGCQVOAAETB-UHFFFAOYSA-N 1 2 243.310 1.626 20 0 BDADLO CCC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000451441627 388274009 /nfs/dbraw/zinc/27/40/09/388274009.db2.gz SJAKHDSVBGMOGH-MRVPVSSYSA-N 1 2 226.324 1.815 20 0 BDADLO CO[C@H]1CN(c2cc(CO)cc[nH+]2)CC[C@H]1C ZINC000300024612 388345057 /nfs/dbraw/zinc/34/50/57/388345057.db2.gz WTUUSXQIENLFEM-PWSUYJOCSA-N 1 2 236.315 1.435 20 0 BDADLO C[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)[C@H]1C ZINC000302905808 388346719 /nfs/dbraw/zinc/34/67/19/388346719.db2.gz SURJQOKYZFOFQC-RQJHMYQMSA-N 1 2 226.711 1.947 20 0 BDADLO C[C@@H]1CCN(c2[nH+]cnc(N)c2Cl)[C@H]1C ZINC000302905808 388346721 /nfs/dbraw/zinc/34/67/21/388346721.db2.gz SURJQOKYZFOFQC-RQJHMYQMSA-N 1 2 226.711 1.947 20 0 BDADLO CN(CCCCO)c1[nH]c2ccccc2[nH+]1 ZINC000276297475 388347815 /nfs/dbraw/zinc/34/78/15/388347815.db2.gz ZRXNTCSPTHHHMQ-UHFFFAOYSA-N 1 2 219.288 1.772 20 0 BDADLO CO[C@H](CNc1nc[nH+]c(N)c1Cl)C(C)C ZINC000277293170 388353846 /nfs/dbraw/zinc/35/38/46/388353846.db2.gz BIRCAUWFNKJYHW-SSDOTTSWSA-N 1 2 244.726 1.795 20 0 BDADLO CO[C@H](CNc1[nH+]cnc(N)c1Cl)C(C)C ZINC000277293170 388353848 /nfs/dbraw/zinc/35/38/48/388353848.db2.gz BIRCAUWFNKJYHW-SSDOTTSWSA-N 1 2 244.726 1.795 20 0 BDADLO CNC(=O)C[C@@H](C)[NH2+]Cc1n[nH]c2ccccc12 ZINC000648786368 388355108 /nfs/dbraw/zinc/35/51/08/388355108.db2.gz QHVDCZDXUATAAO-SECBINFHSA-N 1 2 246.314 1.177 20 0 BDADLO CO[C@](C)(C[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000291039877 388372430 /nfs/dbraw/zinc/37/24/30/388372430.db2.gz KPMXJUOFYFRLLJ-LLVKDONJSA-N 1 2 209.293 1.314 20 0 BDADLO CC[NH2+]CCNC(=O)[C@H](C)c1cccc(C)c1 ZINC000236946350 388386508 /nfs/dbraw/zinc/38/65/08/388386508.db2.gz ZSUNFUORHYFQHB-GFCCVEGCSA-N 1 2 234.343 1.824 20 0 BDADLO CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](OC)C1(CC)CC ZINC000236947178 388386670 /nfs/dbraw/zinc/38/66/70/388386670.db2.gz NAQNLYGGMDVZJG-DCAQKATOSA-N 1 2 242.363 1.434 20 0 BDADLO CCO[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000236914010 388386687 /nfs/dbraw/zinc/38/66/87/388386687.db2.gz GGGLHVBNLDDCHL-SSDOTTSWSA-N 1 2 209.249 1.027 20 0 BDADLO O=C(/C=C\C1CCC1)NCc1[nH]cc[nH+]1 ZINC000492069209 388333594 /nfs/dbraw/zinc/33/35/94/388333594.db2.gz REJACNJWJRDKQL-PLNGDYQASA-N 1 2 205.261 1.382 20 0 BDADLO O=C(C=CC1CCC1)NCc1[nH]cc[nH+]1 ZINC000492069209 388333595 /nfs/dbraw/zinc/33/35/95/388333595.db2.gz REJACNJWJRDKQL-PLNGDYQASA-N 1 2 205.261 1.382 20 0 BDADLO O=C(/C=C\C1CCOCC1)NCCc1[nH]cc[nH+]1 ZINC000492091406 388334416 /nfs/dbraw/zinc/33/44/16/388334416.db2.gz SZJCBOZCXVAAPS-UPHRSURJSA-N 1 2 249.314 1.051 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C=CC1CC1 ZINC000492111031 388335450 /nfs/dbraw/zinc/33/54/50/388335450.db2.gz QPMCQROHCUTNJR-WAYWQWQTSA-N 1 2 216.284 1.971 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000492263648 388339621 /nfs/dbraw/zinc/33/96/21/388339621.db2.gz NMGMWIHFYQNPDK-RXNFCKPNSA-N 1 2 245.326 1.702 20 0 BDADLO c1nc(N2CCCC2)cc(NC2CC2)[nH+]1 ZINC000243461778 388480388 /nfs/dbraw/zinc/48/03/88/388480388.db2.gz NHNPEEWCFFRAEZ-UHFFFAOYSA-N 1 2 204.277 1.651 20 0 BDADLO c1nc(NC2CC2)cc(N2CCCC2)[nH+]1 ZINC000243461778 388480390 /nfs/dbraw/zinc/48/03/90/388480390.db2.gz NHNPEEWCFFRAEZ-UHFFFAOYSA-N 1 2 204.277 1.651 20 0 BDADLO CCC(C)(C)OCC[NH2+]Cc1csnn1 ZINC000308544513 388442845 /nfs/dbraw/zinc/44/28/45/388442845.db2.gz MYFWZUGBEFFGPY-UHFFFAOYSA-N 1 2 229.349 1.833 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCCCNC2=O)cc[nH+]1 ZINC000301211165 388455893 /nfs/dbraw/zinc/45/58/93/388455893.db2.gz WTPIKFDCIRVXMQ-SNVBAGLBSA-N 1 2 248.330 1.681 20 0 BDADLO CC1(F)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649218487 388459321 /nfs/dbraw/zinc/45/93/21/388459321.db2.gz GUKLPDZPCHOWOE-VIFPVBQESA-N 1 2 237.278 1.016 20 0 BDADLO O=C(NCCCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC000649224767 388462704 /nfs/dbraw/zinc/46/27/04/388462704.db2.gz SFCJYPOJXPCKBN-JTQLQIEISA-N 1 2 239.294 1.311 20 0 BDADLO CC[C@H]([NH2+]CC1(SC)CCC1)C(=O)OC ZINC000336699408 388464318 /nfs/dbraw/zinc/46/43/18/388464318.db2.gz UOEPMZJFHPJYAG-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2CC[C@@H](C)O)no1 ZINC000649252475 388470462 /nfs/dbraw/zinc/47/04/62/388470462.db2.gz LASNHPUPIZMGCS-KOLCDFICSA-N 1 2 239.319 1.676 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2CC[C@@H](C)O)no1 ZINC000649252475 388470464 /nfs/dbraw/zinc/47/04/64/388470464.db2.gz LASNHPUPIZMGCS-KOLCDFICSA-N 1 2 239.319 1.676 20 0 BDADLO C[C@H](CF)[NH2+]Cc1ncc(Cl)n1C ZINC000288394208 388410176 /nfs/dbraw/zinc/41/01/76/388410176.db2.gz HJIYEJUIRROLBD-ZCFIWIBFSA-N 1 2 205.664 1.521 20 0 BDADLO c1csc(C[NH2+]Cc2cccnc2)n1 ZINC000040444000 388415988 /nfs/dbraw/zinc/41/59/88/388415988.db2.gz GPNBSMOXJHCYKO-UHFFFAOYSA-N 1 2 205.286 1.828 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000245404964 388417040 /nfs/dbraw/zinc/41/70/40/388417040.db2.gz RFWBZQUUBMUZQW-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000245404964 388417044 /nfs/dbraw/zinc/41/70/44/388417044.db2.gz RFWBZQUUBMUZQW-DTWKUNHWSA-N 1 2 225.292 1.550 20 0 BDADLO CC[C@@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000166855982 388432281 /nfs/dbraw/zinc/43/22/81/388432281.db2.gz ZWDGOSOLAJQOJZ-MRVPVSSYSA-N 1 2 222.292 1.304 20 0 BDADLO CC[C@@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000166855982 388432284 /nfs/dbraw/zinc/43/22/84/388432284.db2.gz ZWDGOSOLAJQOJZ-MRVPVSSYSA-N 1 2 222.292 1.304 20 0 BDADLO CN(C)c1nc(C[N@H+](C)C(C)(C)C)ns1 ZINC000579190714 388539610 /nfs/dbraw/zinc/53/96/10/388539610.db2.gz VCNWROSCWZLBCG-UHFFFAOYSA-N 1 2 228.365 1.834 20 0 BDADLO CN(C)c1nc(C[N@@H+](C)C(C)(C)C)ns1 ZINC000579190714 388539613 /nfs/dbraw/zinc/53/96/13/388539613.db2.gz VCNWROSCWZLBCG-UHFFFAOYSA-N 1 2 228.365 1.834 20 0 BDADLO C/C(Cl)=C/C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000528526984 388544325 /nfs/dbraw/zinc/54/43/25/388544325.db2.gz LSGHADCFQFZMSB-UTCJRWHESA-N 1 2 217.656 1.350 20 0 BDADLO C/C(Cl)=C/C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000528526984 388544326 /nfs/dbraw/zinc/54/43/26/388544326.db2.gz LSGHADCFQFZMSB-UTCJRWHESA-N 1 2 217.656 1.350 20 0 BDADLO CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079701851 388544697 /nfs/dbraw/zinc/54/46/97/388544697.db2.gz BFYRDHDNNADNER-UHFFFAOYSA-N 1 2 249.314 1.270 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)nc1 ZINC000548583417 388547319 /nfs/dbraw/zinc/54/73/19/388547319.db2.gz LYSMLOBNTGIHBV-UHFFFAOYSA-N 1 2 230.271 1.305 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000135031428 388482412 /nfs/dbraw/zinc/48/24/12/388482412.db2.gz DBHJFRRELQQQIU-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000135031428 388482414 /nfs/dbraw/zinc/48/24/14/388482414.db2.gz DBHJFRRELQQQIU-SECBINFHSA-N 1 2 240.328 1.528 20 0 BDADLO COC1C[NH+](Cc2cnc3n[nH]c(C)c3c2)C1 ZINC000459576872 256784349 /nfs/dbraw/zinc/78/43/49/256784349.db2.gz HHCVSLSSUMOITI-UHFFFAOYSA-N 1 2 232.287 1.097 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000194303907 388485393 /nfs/dbraw/zinc/48/53/93/388485393.db2.gz JSUDOROBISLUDW-QMMMGPOBSA-N 1 2 244.747 1.851 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1sccc1Cl ZINC000194303907 388485394 /nfs/dbraw/zinc/48/53/94/388485394.db2.gz JSUDOROBISLUDW-QMMMGPOBSA-N 1 2 244.747 1.851 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OCC ZINC000356277567 388548480 /nfs/dbraw/zinc/54/84/80/388548480.db2.gz HNIFQMSNABKEND-NWDGAFQWSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H]1C[N@H+](Cc2noc(C(C)C)n2)C[C@@H]1O ZINC000341014054 388494116 /nfs/dbraw/zinc/49/41/16/388494116.db2.gz QQQRITLYPJFGAY-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2noc(C(C)C)n2)C[C@@H]1O ZINC000341014054 388494117 /nfs/dbraw/zinc/49/41/17/388494117.db2.gz QQQRITLYPJFGAY-UWVGGRQHSA-N 1 2 239.319 1.396 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H]2CSC)no1 ZINC000135441411 388496536 /nfs/dbraw/zinc/49/65/36/388496536.db2.gz WSENABCZTYMKGK-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H]2CSC)no1 ZINC000135441411 388496540 /nfs/dbraw/zinc/49/65/40/388496540.db2.gz WSENABCZTYMKGK-VIFPVBQESA-N 1 2 241.360 1.959 20 0 BDADLO COC(=O)[C@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000178187991 388497095 /nfs/dbraw/zinc/49/70/95/388497095.db2.gz BYWBCMHLBQBFAJ-MRVPVSSYSA-N 1 2 236.271 1.528 20 0 BDADLO CC(F)(F)C(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000405973464 388497346 /nfs/dbraw/zinc/49/73/46/388497346.db2.gz JVYKKTCVLUUFMQ-UHFFFAOYSA-N 1 2 231.246 1.707 20 0 BDADLO CC(F)(F)C(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000405973464 388497348 /nfs/dbraw/zinc/49/73/48/388497348.db2.gz JVYKKTCVLUUFMQ-UHFFFAOYSA-N 1 2 231.246 1.707 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccno1 ZINC000547947601 388497612 /nfs/dbraw/zinc/49/76/12/388497612.db2.gz OFHFLZHPFVMWBH-SECBINFHSA-N 1 2 239.319 1.410 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccno1 ZINC000547947601 388497614 /nfs/dbraw/zinc/49/76/14/388497614.db2.gz OFHFLZHPFVMWBH-SECBINFHSA-N 1 2 239.319 1.410 20 0 BDADLO CCc1cnc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000547970333 388499597 /nfs/dbraw/zinc/49/95/97/388499597.db2.gz CYSWRLNIQDMFOM-SNVBAGLBSA-N 1 2 222.288 1.194 20 0 BDADLO CCc1cnc(C[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000547970333 388499599 /nfs/dbraw/zinc/49/95/99/388499599.db2.gz CYSWRLNIQDMFOM-SNVBAGLBSA-N 1 2 222.288 1.194 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000547999802 388502356 /nfs/dbraw/zinc/50/23/56/388502356.db2.gz QMCBQWAYVFYUOS-MWLCHTKSSA-N 1 2 221.304 1.267 20 0 BDADLO CC[C@@]1(C)C[N@H+](CC(=O)NC(C)C)CCO1 ZINC000135599308 388502358 /nfs/dbraw/zinc/50/23/58/388502358.db2.gz OCYCUTVGKCLOOE-LBPRGKRZSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@]1(C)C[N@@H+](CC(=O)NC(C)C)CCO1 ZINC000135599308 388502360 /nfs/dbraw/zinc/50/23/60/388502360.db2.gz OCYCUTVGKCLOOE-LBPRGKRZSA-N 1 2 228.336 1.012 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)CCc1nccs1 ZINC000179066182 388511527 /nfs/dbraw/zinc/51/15/27/388511527.db2.gz RCQAFISFXIBJBT-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)CCc1nccs1 ZINC000179066182 388511528 /nfs/dbraw/zinc/51/15/28/388511528.db2.gz RCQAFISFXIBJBT-VIFPVBQESA-N 1 2 242.344 1.569 20 0 BDADLO Cc1c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cnn1C ZINC000345355393 388513070 /nfs/dbraw/zinc/51/30/70/388513070.db2.gz LSMVTJJOMWPDBD-BXKDBHETSA-N 1 2 245.330 1.721 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@H]1C)n1cc[nH+]c1 ZINC000517034184 256813008 /nfs/dbraw/zinc/81/30/08/256813008.db2.gz UYTMXDNGQWPVNN-GHMZBOCLSA-N 1 2 221.304 1.845 20 0 BDADLO CC(C)c1nocc1C(=O)NCc1[nH+]ccn1C ZINC000528412496 388520577 /nfs/dbraw/zinc/52/05/77/388520577.db2.gz WLTPTFVYZSCQJO-UHFFFAOYSA-N 1 2 248.286 1.462 20 0 BDADLO FC(F)[C@H]1C[C@@H]1[NH2+]Cc1csnn1 ZINC000348103564 388525394 /nfs/dbraw/zinc/52/53/94/388525394.db2.gz FXDQJBSOBOSRKY-WDSKDSINSA-N 1 2 205.233 1.281 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)C1CC1 ZINC000136296428 388529057 /nfs/dbraw/zinc/52/90/57/388529057.db2.gz XRAISOXOOFNZEW-FGEFZZPRSA-N 1 2 233.315 1.831 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)c1cn[nH]c1)n1cc[nH+]c1 ZINC000516974880 388529744 /nfs/dbraw/zinc/52/97/44/388529744.db2.gz NBJDLUZRABDSHA-NXEZZACHSA-N 1 2 247.302 1.435 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000528472667 388531396 /nfs/dbraw/zinc/53/13/96/388531396.db2.gz FBXRTLSZYITCGI-QJKQNIPTSA-N 1 2 235.780 1.972 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000528472667 388531398 /nfs/dbraw/zinc/53/13/98/388531398.db2.gz FBXRTLSZYITCGI-QJKQNIPTSA-N 1 2 235.780 1.972 20 0 BDADLO Cc1nc(N(C)C)nc(NCC2CC(C)(C)C2)[nH+]1 ZINC000548365409 388531592 /nfs/dbraw/zinc/53/15/92/388531592.db2.gz LQFBGEDDGQIBCZ-UHFFFAOYSA-N 1 2 249.362 1.516 20 0 BDADLO Cc1nc(NCC2CC(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000548365409 388531595 /nfs/dbraw/zinc/53/15/95/388531595.db2.gz LQFBGEDDGQIBCZ-UHFFFAOYSA-N 1 2 249.362 1.516 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000528474515 388531599 /nfs/dbraw/zinc/53/15/99/388531599.db2.gz PNYWKFMGAWVVMV-LLMHMKPQSA-N 1 2 244.766 1.976 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000528474515 388531601 /nfs/dbraw/zinc/53/16/01/388531601.db2.gz PNYWKFMGAWVVMV-LLMHMKPQSA-N 1 2 244.766 1.976 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cnn(C)c1 ZINC000136371073 388532183 /nfs/dbraw/zinc/53/21/83/388532183.db2.gz QISBHHRQLNFCOY-SNAWJCMRSA-N 1 2 245.286 1.288 20 0 BDADLO COC[C@@H]1C[N@H+](C/C=C(/C)Cl)C[C@H](C)O1 ZINC000528477538 388532809 /nfs/dbraw/zinc/53/28/09/388532809.db2.gz XEIIDHAYJQABFV-XXLCQIKASA-N 1 2 233.739 1.865 20 0 BDADLO COC[C@@H]1C[N@@H+](C/C=C(/C)Cl)C[C@H](C)O1 ZINC000528477538 388532812 /nfs/dbraw/zinc/53/28/12/388532812.db2.gz XEIIDHAYJQABFV-XXLCQIKASA-N 1 2 233.739 1.865 20 0 BDADLO CC(C)Cc1noc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351839194 388533484 /nfs/dbraw/zinc/53/34/84/388533484.db2.gz ZWLBAOLSQDKBNV-ZJUUUORDSA-N 1 2 239.319 1.081 20 0 BDADLO CC(C)Cc1noc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351839194 388533487 /nfs/dbraw/zinc/53/34/87/388533487.db2.gz ZWLBAOLSQDKBNV-ZJUUUORDSA-N 1 2 239.319 1.081 20 0 BDADLO C[C@](O)(C[NH2+]Cc1cscn1)C(F)(F)F ZINC000270451920 388607756 /nfs/dbraw/zinc/60/77/56/388607756.db2.gz CHZUOAAWVURFDG-ZETCQYMHSA-N 1 2 240.250 1.546 20 0 BDADLO CC1CC([NH2+]Cc2nc(-c3ccncc3)n[nH]2)C1 ZINC000517531884 388551828 /nfs/dbraw/zinc/55/18/28/388551828.db2.gz ONCWPMLSHLURNL-UHFFFAOYSA-N 1 2 243.314 1.755 20 0 BDADLO Cc1cc(NC(=O)[C@]2(C)C[C@H]2F)c(C)c[nH+]1 ZINC000517556491 388553517 /nfs/dbraw/zinc/55/35/17/388553517.db2.gz NWXBWZZZJOTDDV-ZYHUDNBSSA-N 1 2 222.263 1.807 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(N)=O ZINC000357772500 388553982 /nfs/dbraw/zinc/55/39/82/388553982.db2.gz MRIVJSLXWQBOJP-SECBINFHSA-N 1 2 236.319 1.006 20 0 BDADLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000548752558 388555698 /nfs/dbraw/zinc/55/56/98/388555698.db2.gz FIUPRCJUIGPRAZ-OCAPTIKFSA-N 1 2 238.253 1.490 20 0 BDADLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000548752558 388555702 /nfs/dbraw/zinc/55/57/02/388555702.db2.gz FIUPRCJUIGPRAZ-OCAPTIKFSA-N 1 2 238.253 1.490 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnnn1-c1ccccc1 ZINC000548753018 388557943 /nfs/dbraw/zinc/55/79/43/388557943.db2.gz HWNWMJMPEHJMIY-GHMZBOCLSA-N 1 2 243.314 1.645 20 0 BDADLO C[C@H](C[NH+]1CCC(F)(F)CC1)S(C)(=O)=O ZINC000528716530 388559940 /nfs/dbraw/zinc/55/99/40/388559940.db2.gz RXRMAWGAJSCHQT-MRVPVSSYSA-N 1 2 241.303 1.151 20 0 BDADLO Cc1c(C[N@H+](C)Cc2cncc(F)c2)cnn1C ZINC000564359057 388566094 /nfs/dbraw/zinc/56/60/94/388566094.db2.gz XPOQAEQARVAZGB-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Cc1c(C[N@@H+](C)Cc2cncc(F)c2)cnn1C ZINC000564359057 388566096 /nfs/dbraw/zinc/56/60/96/388566096.db2.gz XPOQAEQARVAZGB-UHFFFAOYSA-N 1 2 248.305 1.895 20 0 BDADLO Fc1cc2c(c(F)c1)[C@@H]([NH2+]C1COC1)CO2 ZINC000367684256 388566175 /nfs/dbraw/zinc/56/61/75/388566175.db2.gz KJRGKVKPLYIGFE-VIFPVBQESA-N 1 2 227.210 1.387 20 0 BDADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cncs1 ZINC000521301756 388567623 /nfs/dbraw/zinc/56/76/23/388567623.db2.gz YIRZTNKKXRNADW-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cncs1 ZINC000521301756 388567625 /nfs/dbraw/zinc/56/76/25/388567625.db2.gz YIRZTNKKXRNADW-VIFPVBQESA-N 1 2 239.344 1.309 20 0 BDADLO CCc1nc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)no1 ZINC000528759115 388568568 /nfs/dbraw/zinc/56/85/68/388568568.db2.gz XBNCKMIJTIBJID-PEFMBERDSA-N 1 2 239.319 1.534 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)C[C@@H]2C)[nH]1 ZINC000528775539 388570128 /nfs/dbraw/zinc/57/01/28/388570128.db2.gz YWARBXIOXNYYCW-ZETCQYMHSA-N 1 2 230.262 1.733 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)[nH]1 ZINC000528775539 388570130 /nfs/dbraw/zinc/57/01/30/388570130.db2.gz YWARBXIOXNYYCW-ZETCQYMHSA-N 1 2 230.262 1.733 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cnon1 ZINC000528766397 388570160 /nfs/dbraw/zinc/57/01/60/388570160.db2.gz FGIQJRMGLZJDTO-SSDOTTSWSA-N 1 2 217.219 1.689 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cnon1 ZINC000528766397 388570161 /nfs/dbraw/zinc/57/01/61/388570161.db2.gz FGIQJRMGLZJDTO-SSDOTTSWSA-N 1 2 217.219 1.689 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)n1 ZINC000528773353 388570887 /nfs/dbraw/zinc/57/08/87/388570887.db2.gz PRSUYDBSTGPFPL-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO CCn1ncc(C[N@H+]2CCC(F)(F)C[C@@H]2C)n1 ZINC000528773353 388570889 /nfs/dbraw/zinc/57/08/89/388570889.db2.gz PRSUYDBSTGPFPL-VIFPVBQESA-N 1 2 244.289 1.918 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cnn(C)n1 ZINC000528772634 388571272 /nfs/dbraw/zinc/57/12/72/388571272.db2.gz MURCAEFKMZVWBK-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cnn(C)n1 ZINC000528772634 388571275 /nfs/dbraw/zinc/57/12/75/388571275.db2.gz MURCAEFKMZVWBK-MRVPVSSYSA-N 1 2 230.262 1.435 20 0 BDADLO CCn1ccnc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000184512784 388579174 /nfs/dbraw/zinc/57/91/74/388579174.db2.gz VQIRQSWQXKXQKX-NSHDSACASA-N 1 2 249.314 1.709 20 0 BDADLO CCn1cc[nH+]c1CN[C@@H](CCO)c1ccco1 ZINC000184512784 388579177 /nfs/dbraw/zinc/57/91/77/388579177.db2.gz VQIRQSWQXKXQKX-NSHDSACASA-N 1 2 249.314 1.709 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000064247462 388667971 /nfs/dbraw/zinc/66/79/71/388667971.db2.gz ZKGAFDOZYGGMNF-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cn2ccccc2n1 ZINC000064247462 388667973 /nfs/dbraw/zinc/66/79/73/388667973.db2.gz ZKGAFDOZYGGMNF-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CC1(C)COCCN1Cc1cn2ccccc2[nH+]1 ZINC000064247462 388667976 /nfs/dbraw/zinc/66/79/76/388667976.db2.gz ZKGAFDOZYGGMNF-UHFFFAOYSA-N 1 2 245.326 1.945 20 0 BDADLO CCC[C@H]1C[N@@H+]([C@H](CC)C(=O)OC)CCO1 ZINC000247915604 388670941 /nfs/dbraw/zinc/67/09/41/388670941.db2.gz AZNLFZWYAACFEY-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@H]1C[N@H+]([C@H](CC)C(=O)OC)CCO1 ZINC000247915604 388670943 /nfs/dbraw/zinc/67/09/43/388670943.db2.gz AZNLFZWYAACFEY-WDEREUQCSA-N 1 2 229.320 1.439 20 0 BDADLO Cn1cnnc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000538130744 388678164 /nfs/dbraw/zinc/67/81/64/388678164.db2.gz LMLIIBUTLQTQOU-LBPRGKRZSA-N 1 2 246.314 1.028 20 0 BDADLO c1nc([C@H]2CCCC[N@@H+]2C[C@H]2CCOC2)n[nH]1 ZINC000108494310 388625611 /nfs/dbraw/zinc/62/56/11/388625611.db2.gz GTQDDTVZLDUAHM-GHMZBOCLSA-N 1 2 236.319 1.368 20 0 BDADLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)C(C)(F)F ZINC000328442192 388643431 /nfs/dbraw/zinc/64/34/31/388643431.db2.gz AZEMQPAOSYZPAH-SSDOTTSWSA-N 1 2 231.246 1.360 20 0 BDADLO COC[C@H](C)n1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000189866127 388643468 /nfs/dbraw/zinc/64/34/68/388643468.db2.gz KTCAKZLURVZANM-VIFPVBQESA-N 1 2 235.291 1.426 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000551899252 388646402 /nfs/dbraw/zinc/64/64/02/388646402.db2.gz KVFRLQBWSGWGNB-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000551899252 388646403 /nfs/dbraw/zinc/64/64/03/388646403.db2.gz KVFRLQBWSGWGNB-CYBMUJFWSA-N 1 2 243.314 1.845 20 0 BDADLO CC[C@@](C)(OC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530423479 388654905 /nfs/dbraw/zinc/65/49/05/388654905.db2.gz PNTBTQQWWCYMJS-GFCCVEGCSA-N 1 2 237.303 1.082 20 0 BDADLO Cc1oncc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000248601241 388685894 /nfs/dbraw/zinc/68/58/94/388685894.db2.gz VCKROCYOZFTVMZ-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1oncc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000248601241 388685897 /nfs/dbraw/zinc/68/58/97/388685897.db2.gz VCKROCYOZFTVMZ-VXGBXAGGSA-N 1 2 249.314 1.226 20 0 BDADLO OCC[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128023935 388736721 /nfs/dbraw/zinc/73/67/21/388736721.db2.gz LGGYXUAYCIPIGZ-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO OCC[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128023935 388736723 /nfs/dbraw/zinc/73/67/23/388736723.db2.gz LGGYXUAYCIPIGZ-SNVBAGLBSA-N 1 2 227.333 1.275 20 0 BDADLO CCOC[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000128038443 388736984 /nfs/dbraw/zinc/73/69/84/388736984.db2.gz PMUXBSDAKILIJN-SECBINFHSA-N 1 2 225.279 1.359 20 0 BDADLO CCOC[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000128038443 388736987 /nfs/dbraw/zinc/73/69/87/388736987.db2.gz PMUXBSDAKILIJN-SECBINFHSA-N 1 2 225.279 1.359 20 0 BDADLO Oc1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000067667724 388737775 /nfs/dbraw/zinc/73/77/75/388737775.db2.gz CVBNRWNVLGVLRA-UHFFFAOYSA-N 1 2 203.245 1.405 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000128216658 388741094 /nfs/dbraw/zinc/74/10/94/388741094.db2.gz ARTKUGOSYBCALT-VIFPVBQESA-N 1 2 210.277 1.409 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000128216658 388741098 /nfs/dbraw/zinc/74/10/98/388741098.db2.gz ARTKUGOSYBCALT-VIFPVBQESA-N 1 2 210.277 1.409 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000227104202 388741082 /nfs/dbraw/zinc/74/10/82/388741082.db2.gz IMDWCVVGJHMWKK-MXWKQRLJSA-N 1 2 229.320 1.341 20 0 BDADLO CC[C@@H](C)C[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000649054330 388753799 /nfs/dbraw/zinc/75/37/99/388753799.db2.gz ZOJYHXLLDYSAHO-PSASIEDQSA-N 1 2 239.319 1.245 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000249265595 388714218 /nfs/dbraw/zinc/71/42/18/388714218.db2.gz IVPZPMACDJMNAG-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000249265595 388714219 /nfs/dbraw/zinc/71/42/19/388714219.db2.gz IVPZPMACDJMNAG-RKDXNWHRSA-N 1 2 210.277 1.592 20 0 BDADLO COCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000127220090 388719251 /nfs/dbraw/zinc/71/92/51/388719251.db2.gz RNLHMTNWJMJKEM-UHFFFAOYSA-N 1 2 208.261 1.755 20 0 BDADLO Cc1cc(C)c(NC(=O)[C@H]2CCOC2)c(C)[nH+]1 ZINC000194402232 388732145 /nfs/dbraw/zinc/73/21/45/388732145.db2.gz RYARYJITXOUPHR-NSHDSACASA-N 1 2 234.299 1.982 20 0 BDADLO Cc1cc(N[C@]2(C)CCO[C@@H]2C)nc[nH+]1 ZINC000230098982 388814461 /nfs/dbraw/zinc/81/44/61/388814461.db2.gz XJAQAZVQTVXPLJ-MWLCHTKSSA-N 1 2 207.277 1.764 20 0 BDADLO CCOC(=O)C[N@H+](CC)CC1=CCCOC1 ZINC000092399687 388802924 /nfs/dbraw/zinc/80/29/24/388802924.db2.gz CPOQCIBBXQTKHN-UHFFFAOYSA-N 1 2 227.304 1.218 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CC1=CCCOC1 ZINC000092399687 388802928 /nfs/dbraw/zinc/80/29/28/388802928.db2.gz CPOQCIBBXQTKHN-UHFFFAOYSA-N 1 2 227.304 1.218 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H]1CCCOC1 ZINC000554295388 388807536 /nfs/dbraw/zinc/80/75/36/388807536.db2.gz JMEHCEWSLKDHNE-NSHDSACASA-N 1 2 249.314 1.455 20 0 BDADLO C[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H](CO)O1 ZINC000230009945 388809786 /nfs/dbraw/zinc/80/97/86/388809786.db2.gz KFUGTJWNDMJVRZ-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO C[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H](CO)O1 ZINC000230009945 388809789 /nfs/dbraw/zinc/80/97/89/388809789.db2.gz KFUGTJWNDMJVRZ-YUMQZZPRSA-N 1 2 227.226 1.020 20 0 BDADLO COc1cccc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000128484673 388765134 /nfs/dbraw/zinc/76/51/34/388765134.db2.gz XIXYRDFFTOOGGQ-UHFFFAOYSA-N 1 2 246.354 1.975 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H]1CC[C@@H](O)C1 ZINC000227662368 388773922 /nfs/dbraw/zinc/77/39/22/388773922.db2.gz SDUUGIGENNDKNK-NXEZZACHSA-N 1 2 222.288 1.663 20 0 BDADLO O=C1CC[N@@H+](Cc2ncccc2O)C2(CCC2)C1 ZINC000564223505 388779996 /nfs/dbraw/zinc/77/99/96/388779996.db2.gz NLARVRXLDBUQHL-UHFFFAOYSA-N 1 2 246.310 1.875 20 0 BDADLO O=C1CC[N@H+](Cc2ncccc2O)C2(CCC2)C1 ZINC000564223505 388780000 /nfs/dbraw/zinc/78/00/00/388780000.db2.gz NLARVRXLDBUQHL-UHFFFAOYSA-N 1 2 246.310 1.875 20 0 BDADLO CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000553535207 388781783 /nfs/dbraw/zinc/78/17/83/388781783.db2.gz WZXDUETZPUCKFL-JTQLQIEISA-N 1 2 233.315 1.504 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCC2(O)CCC2)[nH+]1 ZINC000553592658 388783726 /nfs/dbraw/zinc/78/37/26/388783726.db2.gz WMORACPCHACZGQ-UHFFFAOYSA-N 1 2 246.314 1.405 20 0 BDADLO CC(C)n1cc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000554484825 388817735 /nfs/dbraw/zinc/81/77/35/388817735.db2.gz CVKXQZNSCOIBAS-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO CC(C)n1cc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000554484825 388817741 /nfs/dbraw/zinc/81/77/41/388817741.db2.gz CVKXQZNSCOIBAS-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO c1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)[nH]n1 ZINC000230314472 388824298 /nfs/dbraw/zinc/82/42/98/388824298.db2.gz TVCZJOPHMZPIQJ-QWRGUYRKSA-N 1 2 207.277 1.067 20 0 BDADLO O=S1(=O)CCC[C@H](CNc2cccc[nH+]2)C1 ZINC000288654350 388830959 /nfs/dbraw/zinc/83/09/59/388830959.db2.gz YHHDHBMLGPWDRY-SNVBAGLBSA-N 1 2 240.328 1.318 20 0 BDADLO CN(Cc1ccoc1)C(=O)Cn1cc[nH+]c1 ZINC000555222035 388842220 /nfs/dbraw/zinc/84/22/20/388842220.db2.gz KHQNSRWQJMJSHX-UHFFFAOYSA-N 1 2 219.244 1.135 20 0 BDADLO CCCCN(CCOC)C(=O)Cn1cc[nH+]c1 ZINC000555224197 388842680 /nfs/dbraw/zinc/84/26/80/388842680.db2.gz SQLGWJQZVSDKHM-UHFFFAOYSA-N 1 2 239.319 1.158 20 0 BDADLO C[C@@]1(CNc2cc(NC3CC3)nc[nH+]2)CCOC1 ZINC000564544312 388877399 /nfs/dbraw/zinc/87/73/99/388877399.db2.gz HUUWGZFUKBCPJV-ZDUSSCGKSA-N 1 2 248.330 1.889 20 0 BDADLO C[C@@]1(CNc2cc(NC3CC3)[nH+]cn2)CCOC1 ZINC000564544312 388877401 /nfs/dbraw/zinc/87/74/01/388877401.db2.gz HUUWGZFUKBCPJV-ZDUSSCGKSA-N 1 2 248.330 1.889 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000564531376 388878015 /nfs/dbraw/zinc/87/80/15/388878015.db2.gz JKMWRCPMMPPMQQ-DGCLKSJQSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1[nH]c(C(=O)NCC2CCC(F)CC2)c[nH+]1 ZINC000649149767 388879374 /nfs/dbraw/zinc/87/93/74/388879374.db2.gz WEZPXKXCEBKKEK-UHFFFAOYSA-N 1 2 239.294 1.976 20 0 BDADLO CNc1ccc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000262244018 388913926 /nfs/dbraw/zinc/91/39/26/388913926.db2.gz PIUZYVWYHVVBML-UHFFFAOYSA-N 1 2 245.286 1.349 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@]2(C)CCCOC2)C1 ZINC000565189216 388917171 /nfs/dbraw/zinc/91/71/71/388917171.db2.gz AJHSTVHPEABAEN-ZDUSSCGKSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C1CC1)C1CC1 ZINC000565168683 388920465 /nfs/dbraw/zinc/92/04/65/388920465.db2.gz AQLRMFJJXGBFTI-SECBINFHSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C1CC1)C1CC1 ZINC000565168683 388920468 /nfs/dbraw/zinc/92/04/68/388920468.db2.gz AQLRMFJJXGBFTI-SECBINFHSA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C)(F)C1 ZINC000565197739 388924797 /nfs/dbraw/zinc/92/47/97/388924797.db2.gz AZCJCEMFTLKTNC-DUACVJHASA-N 1 2 239.294 1.595 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C)(F)C1 ZINC000565197739 388924794 /nfs/dbraw/zinc/92/47/94/388924794.db2.gz AZCJCEMFTLKTNC-DUACVJHASA-N 1 2 239.294 1.595 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1ccncc1 ZINC000565224095 388928515 /nfs/dbraw/zinc/92/85/15/388928515.db2.gz ZWMCHCXSWZOYMY-UHFFFAOYSA-N 1 2 214.272 1.522 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1nnc(C(C)C)[nH]1 ZINC000565227313 388930147 /nfs/dbraw/zinc/93/01/47/388930147.db2.gz XQKFNRPRJFBSRO-UHFFFAOYSA-N 1 2 246.318 1.369 20 0 BDADLO Nc1nc(N2CCC[C@@H](F)C2)[nH+]c2ccccc12 ZINC000565631847 388959008 /nfs/dbraw/zinc/95/90/08/388959008.db2.gz QKZUIFXTSJUBGC-SECBINFHSA-N 1 2 246.289 1.981 20 0 BDADLO Cc1ccc(O)c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n1 ZINC000565374770 388940801 /nfs/dbraw/zinc/94/08/01/388940801.db2.gz XJBHBEYDTMWIQH-SNVBAGLBSA-N 1 2 249.314 1.374 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCCSC1)c1[nH]cc[nH+]1 ZINC000565430985 388944899 /nfs/dbraw/zinc/94/48/99/388944899.db2.gz GVLCPGQBDUBAQA-BDAKNGLRSA-N 1 2 239.344 1.730 20 0 BDADLO CC[C@H](C)OCC(=O)Nc1cc(C)[nH+]cc1C ZINC000565550330 388953637 /nfs/dbraw/zinc/95/36/37/388953637.db2.gz YKXSUEHRKCTKDB-NSHDSACASA-N 1 2 236.315 1.874 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC[C@@](C)(O)C1 ZINC000565591521 388955408 /nfs/dbraw/zinc/95/54/08/388955408.db2.gz SLSLMCVUFFRWEZ-GFCCVEGCSA-N 1 2 221.304 1.445 20 0 BDADLO COC(=O)CCCCNc1cc[nH+]c(C)n1 ZINC000266349991 388995714 /nfs/dbraw/zinc/99/57/14/388995714.db2.gz JIVXUFQLTKZXOM-UHFFFAOYSA-N 1 2 223.276 1.540 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCS1 ZINC000267179954 388997617 /nfs/dbraw/zinc/99/76/17/388997617.db2.gz IRKBMKRKBMARDF-SECBINFHSA-N 1 2 225.317 1.230 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1C=CCC1 ZINC000266980343 388998075 /nfs/dbraw/zinc/99/80/75/388998075.db2.gz PRDCHTMXJHVKPG-SNVBAGLBSA-N 1 2 219.288 1.691 20 0 BDADLO Cc1cnc(NCc2[nH+]ccn2C)nc1C ZINC000270695824 389013520 /nfs/dbraw/zinc/01/35/20/389013520.db2.gz HCBCSSLRDPBRAQ-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO COCCCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493464075 533235710 /nfs/dbraw/zinc/23/57/10/533235710.db2.gz XTUHIVFXRGCOSL-AATRIKPKSA-N 1 2 237.303 1.308 20 0 BDADLO CO[C@@H]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492772147 533424703 /nfs/dbraw/zinc/42/47/03/533424703.db2.gz SQQRAZKXJVUAHE-DREQKGALSA-N 1 2 235.287 1.107 20 0 BDADLO CO[C@@H]1C[NH+]([C@H](C)c2ncc(C)o2)C[C@H]1OC ZINC000487963025 533482889 /nfs/dbraw/zinc/48/28/89/533482889.db2.gz ZPLKIQJVRLVSAQ-GMTAPVOTSA-N 1 2 240.303 1.390 20 0 BDADLO OCCO[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000265265271 132181934 /nfs/dbraw/zinc/18/19/34/132181934.db2.gz ZASBHQQWOLWLFM-LLVKDONJSA-N 1 2 222.288 1.059 20 0 BDADLO C[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000265449756 132182321 /nfs/dbraw/zinc/18/23/21/132182321.db2.gz SUSGLLZIMFLMNP-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO C[C@H]1CN(c2cc(NCC3CC3)nc[nH+]2)CCO1 ZINC000265449756 132182322 /nfs/dbraw/zinc/18/23/22/132182322.db2.gz SUSGLLZIMFLMNP-JTQLQIEISA-N 1 2 248.330 1.524 20 0 BDADLO Cc1nc(N2CCO[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000268053668 132190982 /nfs/dbraw/zinc/19/09/82/132190982.db2.gz UXKICDNWTRDLNZ-MNOVXSKESA-N 1 2 219.288 1.543 20 0 BDADLO CC1(C)CN(c2cccc[nH+]2)CC[C@H]1O ZINC000275480308 132205253 /nfs/dbraw/zinc/20/52/53/132205253.db2.gz PMEPFSJWIQVPMY-SNVBAGLBSA-N 1 2 206.289 1.679 20 0 BDADLO CN(CC1CC1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000277588590 132207427 /nfs/dbraw/zinc/20/74/27/132207427.db2.gz TVVWNYCRRKHNNM-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CN(CC1CC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000277588590 132207428 /nfs/dbraw/zinc/20/74/28/132207428.db2.gz TVVWNYCRRKHNNM-UHFFFAOYSA-N 1 2 248.330 1.159 20 0 BDADLO CO[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000280464732 132210516 /nfs/dbraw/zinc/21/05/16/132210516.db2.gz MMIIKCVEDXMCFW-LBPRGKRZSA-N 1 2 221.304 1.790 20 0 BDADLO Clc1cccc(N2CCn3c[nH+]cc3C2)n1 ZINC000290586912 132216953 /nfs/dbraw/zinc/21/69/53/132216953.db2.gz CMDQKMAQDGBPHP-UHFFFAOYSA-N 1 2 234.690 1.952 20 0 BDADLO Clc1cccnc1N1CCn2c[nH+]cc2C1 ZINC000290769288 132217419 /nfs/dbraw/zinc/21/74/19/132217419.db2.gz VGRIYPFXNXSYSZ-UHFFFAOYSA-N 1 2 234.690 1.952 20 0 BDADLO CC[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCO1 ZINC000334058005 132246902 /nfs/dbraw/zinc/24/69/02/132246902.db2.gz WSWXTKGDFLECJM-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CC[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCO1 ZINC000334058005 132246904 /nfs/dbraw/zinc/24/69/04/132246904.db2.gz WSWXTKGDFLECJM-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCO1 ZINC000334059564 132246913 /nfs/dbraw/zinc/24/69/13/132246913.db2.gz XZCPBFWBAHPFSG-VIFPVBQESA-N 1 2 234.303 1.276 20 0 BDADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCO1 ZINC000334059564 132246915 /nfs/dbraw/zinc/24/69/15/132246915.db2.gz XZCPBFWBAHPFSG-VIFPVBQESA-N 1 2 234.303 1.276 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@H](C)S1=O ZINC000336463947 132247899 /nfs/dbraw/zinc/24/78/99/132247899.db2.gz TXPJQQZIHFRFHB-UWVGGRQHSA-N 1 2 224.329 1.427 20 0 BDADLO CC[C@@H]1CN(c2cc(C)[nH+]cn2)C[C@H](C)O1 ZINC000301233548 132252297 /nfs/dbraw/zinc/25/22/97/132252297.db2.gz GNQFBLYAUYHVFA-WDEREUQCSA-N 1 2 221.304 1.789 20 0 BDADLO C[C@@H](O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301752338 132257203 /nfs/dbraw/zinc/25/72/03/132257203.db2.gz BKSNLIFULGMLSA-MNOVXSKESA-N 1 2 206.289 1.679 20 0 BDADLO C[C@@H]1CN(c2nc(N)c3ccccc3[nH+]2)CCO1 ZINC000301811107 132257768 /nfs/dbraw/zinc/25/77/68/132257768.db2.gz ZOJAHUFZKUMPGC-SECBINFHSA-N 1 2 244.298 1.437 20 0 BDADLO Cc1nc(N2CCC=C(F)C2)nc(N(C)C)[nH+]1 ZINC000354072166 132269360 /nfs/dbraw/zinc/26/93/60/132269360.db2.gz OESCBAZBWXKVGF-UHFFFAOYSA-N 1 2 237.282 1.310 20 0 BDADLO Cc1nc(N(C)C)nc(N2CCC=C(F)C2)[nH+]1 ZINC000354072166 132269361 /nfs/dbraw/zinc/26/93/61/132269361.db2.gz OESCBAZBWXKVGF-UHFFFAOYSA-N 1 2 237.282 1.310 20 0 BDADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)C[C@@H]1O ZINC000357205409 132272903 /nfs/dbraw/zinc/27/29/03/132272903.db2.gz SSHHGXZIRYKZEM-YGRLFVJLSA-N 1 2 243.310 1.837 20 0 BDADLO Cc1nccnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000357221067 132272923 /nfs/dbraw/zinc/27/29/23/132272923.db2.gz QCGQCNKJIDFYPO-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO Cc1cncc(N2CCn3c[nH+]cc3C2)n1 ZINC000357577740 132274162 /nfs/dbraw/zinc/27/41/62/132274162.db2.gz HBJGOBAFQVYSQN-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO O=C(C1CC1)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000359639117 132277011 /nfs/dbraw/zinc/27/70/11/132277011.db2.gz SWULGLRGQNOJMB-LLVKDONJSA-N 1 2 232.283 1.266 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1cncc(Cl)n1)CC2 ZINC000371705793 132285474 /nfs/dbraw/zinc/28/54/74/132285474.db2.gz GHDPTBVQTHNEHP-UHFFFAOYSA-N 1 2 249.705 1.655 20 0 BDADLO C[C@H]1CN(c2cccc[nH+]2)C[C@@]2(CCCOC2)O1 ZINC000373634274 132286428 /nfs/dbraw/zinc/28/64/28/132286428.db2.gz DSRHZFRQRFIADF-GXTWGEPZSA-N 1 2 248.326 1.856 20 0 BDADLO c1ccc(N2CCC[C@H]3OCC[C@H]32)[nH+]c1 ZINC000373696838 132286712 /nfs/dbraw/zinc/28/67/12/132286712.db2.gz PIQDCQOQTINRRY-GHMZBOCLSA-N 1 2 204.273 1.839 20 0 BDADLO C[C@@H]1OCC[C@]12CN(c1cccc[nH+]1)CCO2 ZINC000376021371 132288480 /nfs/dbraw/zinc/28/84/80/132288480.db2.gz LNADJMUNUQCIJT-AAEUAGOBSA-N 1 2 234.299 1.466 20 0 BDADLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000302786825 132363902 /nfs/dbraw/zinc/36/39/02/132363902.db2.gz WNZHNFVDNAHADJ-ONGXEEELSA-N 1 2 249.314 1.420 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335830837 133931525 /nfs/dbraw/zinc/93/15/25/133931525.db2.gz UFXOZDSPJMSAHY-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cncc(F)c2)C1 ZINC000335925048 134008616 /nfs/dbraw/zinc/00/86/16/134008616.db2.gz DVJIBHXYCONGAZ-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000335925048 134008617 /nfs/dbraw/zinc/00/86/17/134008617.db2.gz DVJIBHXYCONGAZ-LLVKDONJSA-N 1 2 228.242 1.127 20 0 BDADLO CC1=CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335931565 134010943 /nfs/dbraw/zinc/01/09/43/134010943.db2.gz PEWHQANQPWKWJE-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO CCc1nc(C(=O)Nc2cc[nH+]cc2C)c(C)o1 ZINC000335940077 134017238 /nfs/dbraw/zinc/01/72/38/134017238.db2.gz ASCGUWMOZNTAHX-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO Cc1cc(C[NH+]2CC(n3ccnn3)C2)ccc1F ZINC000335971932 134030066 /nfs/dbraw/zinc/03/00/66/134030066.db2.gz XUKMTEPLIYYIFQ-UHFFFAOYSA-N 1 2 246.289 1.783 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000352015825 134036981 /nfs/dbraw/zinc/03/69/81/134036981.db2.gz SHUIMUCGXHSXOC-GRYCIOLGSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000352015825 134036982 /nfs/dbraw/zinc/03/69/82/134036982.db2.gz SHUIMUCGXHSXOC-GRYCIOLGSA-N 1 2 241.331 1.437 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC=C(F)C1 ZINC000336023881 134046654 /nfs/dbraw/zinc/04/66/54/134046654.db2.gz RLRFCVUEXVSBGK-SECBINFHSA-N 1 2 228.311 1.849 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC=C(F)C1 ZINC000336023881 134046655 /nfs/dbraw/zinc/04/66/55/134046655.db2.gz RLRFCVUEXVSBGK-SECBINFHSA-N 1 2 228.311 1.849 20 0 BDADLO Cc1cc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)on1 ZINC000336010869 134051214 /nfs/dbraw/zinc/05/12/14/134051214.db2.gz DIYQQRIJLBGBQV-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1cc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)on1 ZINC000336010869 134051215 /nfs/dbraw/zinc/05/12/15/134051215.db2.gz DIYQQRIJLBGBQV-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000336022337 134056129 /nfs/dbraw/zinc/05/61/29/134056129.db2.gz VKGWEQRWALJYOO-ZETCQYMHSA-N 1 2 247.220 1.424 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N1CCCC1 ZINC000336095353 134079967 /nfs/dbraw/zinc/07/99/67/134079967.db2.gz CICWKQUWDVUXET-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N1CCCC1 ZINC000336095353 134079968 /nfs/dbraw/zinc/07/99/68/134079968.db2.gz CICWKQUWDVUXET-NSHDSACASA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCSC[C@@H]2C)[nH]1 ZINC000336112167 134086662 /nfs/dbraw/zinc/08/66/62/134086662.db2.gz NYXKKRCEWFJXGL-VIFPVBQESA-N 1 2 240.376 1.865 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCSC[C@@H]2C)[nH]1 ZINC000336112167 134086663 /nfs/dbraw/zinc/08/66/63/134086663.db2.gz NYXKKRCEWFJXGL-VIFPVBQESA-N 1 2 240.376 1.865 20 0 BDADLO Cc1cc(F)cc2c1C[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC000336123799 134092301 /nfs/dbraw/zinc/09/23/01/134092301.db2.gz PHICISVDZMFXFL-CYBMUJFWSA-N 1 2 248.301 1.381 20 0 BDADLO Cc1cc(F)cc2c1C[N@H+]([C@@H]1CCNC1=O)CC2 ZINC000336123799 134092302 /nfs/dbraw/zinc/09/23/02/134092302.db2.gz PHICISVDZMFXFL-CYBMUJFWSA-N 1 2 248.301 1.381 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccoc1 ZINC000336125127 134092629 /nfs/dbraw/zinc/09/26/29/134092629.db2.gz JVDAYJLWKLJHBI-UHFFFAOYSA-N 1 2 216.240 1.911 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000336131531 134094729 /nfs/dbraw/zinc/09/47/29/134094729.db2.gz ZEVRLHMBGIPYAE-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000336131531 134094730 /nfs/dbraw/zinc/09/47/30/134094730.db2.gz ZEVRLHMBGIPYAE-ZBEGNZNMSA-N 1 2 241.356 1.931 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336156297 134106387 /nfs/dbraw/zinc/10/63/87/134106387.db2.gz ZYLAOVWORYWJSS-JTQLQIEISA-N 1 2 222.288 1.509 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336156297 134106388 /nfs/dbraw/zinc/10/63/88/134106388.db2.gz ZYLAOVWORYWJSS-JTQLQIEISA-N 1 2 222.288 1.509 20 0 BDADLO CC[N@@H+](Cc1nnc(C)n1C1CC1)C[C@H](C)O ZINC000352210673 134107373 /nfs/dbraw/zinc/10/73/73/134107373.db2.gz HHHHYLIVIZLMKJ-VIFPVBQESA-N 1 2 238.335 1.124 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnn[nH]2)CC12CCC2 ZINC000336199388 134128158 /nfs/dbraw/zinc/12/81/58/134128158.db2.gz DJZYAIKKXYAZAF-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnn[nH]2)CC12CCC2 ZINC000336199388 134128159 /nfs/dbraw/zinc/12/81/59/134128159.db2.gz DJZYAIKKXYAZAF-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c[nH]nn2)CC12CCC2 ZINC000336199388 134128160 /nfs/dbraw/zinc/12/81/60/134128160.db2.gz DJZYAIKKXYAZAF-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c[nH]nn2)CC12CCC2 ZINC000336199388 134128161 /nfs/dbraw/zinc/12/81/61/134128161.db2.gz DJZYAIKKXYAZAF-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)CC12CCC2 ZINC000336199388 134128162 /nfs/dbraw/zinc/12/81/62/134128162.db2.gz DJZYAIKKXYAZAF-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)CC12CCC2 ZINC000336199388 134128163 /nfs/dbraw/zinc/12/81/63/134128163.db2.gz DJZYAIKKXYAZAF-JTQLQIEISA-N 1 2 220.320 1.817 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](C)COCC)C(=O)OCC ZINC000216604311 134154117 /nfs/dbraw/zinc/15/41/17/134154117.db2.gz ZDYZATNEGHHKCR-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OC ZINC000168331695 134197923 /nfs/dbraw/zinc/19/79/23/134197923.db2.gz YSHSSTXMGWJQNX-UWVGGRQHSA-N 1 2 215.293 1.097 20 0 BDADLO CO[C@@H](C)c1noc(C[NH+]2CCCC2)n1 ZINC000175060874 134284524 /nfs/dbraw/zinc/28/45/24/134284524.db2.gz YAYXOBRUOYLSBE-QMMMGPOBSA-N 1 2 211.265 1.373 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCc1ccccc1 ZINC000221054231 134318698 /nfs/dbraw/zinc/31/86/98/134318698.db2.gz KCAVNPHQUGZDTJ-UHFFFAOYSA-N 1 2 244.298 1.420 20 0 BDADLO Cn1c(C[N@H+](C)C2CC2)nnc1C1CCC1 ZINC000181100309 134333685 /nfs/dbraw/zinc/33/36/85/134333685.db2.gz NTADJINHRKBSTL-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO Cn1c(C[N@@H+](C)C2CC2)nnc1C1CCC1 ZINC000181100309 134333686 /nfs/dbraw/zinc/33/36/86/134333686.db2.gz NTADJINHRKBSTL-UHFFFAOYSA-N 1 2 220.320 1.677 20 0 BDADLO NC(=O)C1([NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000181725309 134338780 /nfs/dbraw/zinc/33/87/80/134338780.db2.gz NRDZHSXUCBGEES-UHFFFAOYSA-N 1 2 249.245 1.074 20 0 BDADLO CO[C@H](C)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000182110339 134342064 /nfs/dbraw/zinc/34/20/64/134342064.db2.gz ONVCDYPEFGHHRV-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO CO[C@H](C)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000182110339 134342065 /nfs/dbraw/zinc/34/20/65/134342065.db2.gz ONVCDYPEFGHHRV-SECBINFHSA-N 1 2 217.309 1.295 20 0 BDADLO CO[C@H](C)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000182459958 134342107 /nfs/dbraw/zinc/34/21/07/134342107.db2.gz PFGYLORCNDLJTP-GHMZBOCLSA-N 1 2 245.363 1.977 20 0 BDADLO CCOCC[N@H+](C)Cc1ncnn1CC(C)C ZINC000183090447 134350589 /nfs/dbraw/zinc/35/05/89/134350589.db2.gz LFSQCDLQOOPQEJ-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO CCOCC[N@@H+](C)Cc1ncnn1CC(C)C ZINC000183090447 134350590 /nfs/dbraw/zinc/35/05/90/134350590.db2.gz LFSQCDLQOOPQEJ-UHFFFAOYSA-N 1 2 240.351 1.402 20 0 BDADLO Cc1ncc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000226931528 134370764 /nfs/dbraw/zinc/37/07/64/134370764.db2.gz GZKQRFXBOJPDPZ-UHFFFAOYSA-N 1 2 222.273 1.105 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000227035413 134373836 /nfs/dbraw/zinc/37/38/36/134373836.db2.gz CMEHQLTXHIXEQG-RYUDHWBXSA-N 1 2 243.347 1.829 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)SC)C1CC1 ZINC000227771432 134393706 /nfs/dbraw/zinc/39/37/06/134393706.db2.gz VEKVSGOQNHNGIX-APPZFPTMSA-N 1 2 217.334 1.279 20 0 BDADLO C[C@H]1OCC[C@]1(C)Nc1[nH+]cnc2c1cnn2C ZINC000230098818 134481134 /nfs/dbraw/zinc/48/11/34/134481134.db2.gz SYGGNVPTGLBILH-PELKAZGASA-N 1 2 247.302 1.343 20 0 BDADLO COc1cccc2c1cc[nH+]c2N1CC(CO)C1 ZINC000235019287 134587169 /nfs/dbraw/zinc/58/71/69/134587169.db2.gz MXDXMSRJKUVJOU-UHFFFAOYSA-N 1 2 244.294 1.672 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000153544361 134639384 /nfs/dbraw/zinc/63/93/84/134639384.db2.gz YMDJPVRUXMVTQE-RYUDHWBXSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@H]([NH2+]Cc1cscn1)C(=O)N1CCCC1 ZINC000065269611 134857491 /nfs/dbraw/zinc/85/74/91/134857491.db2.gz RQXVMAOSUAPQMI-VIFPVBQESA-N 1 2 239.344 1.244 20 0 BDADLO O=C(Cc1ccc(F)cc1)NCc1[nH]cc[nH+]1 ZINC000070990036 134928125 /nfs/dbraw/zinc/92/81/25/134928125.db2.gz OBCPSIUWZIPDFF-UHFFFAOYSA-N 1 2 233.246 1.408 20 0 BDADLO CC(C)[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070651170 135002951 /nfs/dbraw/zinc/00/29/51/135002951.db2.gz OGKODEAKOJWJLH-SECBINFHSA-N 1 2 209.293 1.660 20 0 BDADLO Cc1cccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070819730 135013370 /nfs/dbraw/zinc/01/33/70/135013370.db2.gz TVIDDIFJILKABK-UHFFFAOYSA-N 1 2 216.244 1.043 20 0 BDADLO Cc1noc(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979273 135017425 /nfs/dbraw/zinc/01/74/25/135017425.db2.gz QIKKOXQDHOYVMR-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO CN(CC1CCCCC1)C(=O)Cn1cc[nH+]c1 ZINC000076830061 135051904 /nfs/dbraw/zinc/05/19/04/135051904.db2.gz ISJOOFZCVIMMRI-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000251537092 135070788 /nfs/dbraw/zinc/07/07/88/135070788.db2.gz HWFJSSWIBAAOTA-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000251537092 135070790 /nfs/dbraw/zinc/07/07/90/135070790.db2.gz HWFJSSWIBAAOTA-NXEZZACHSA-N 1 2 215.293 1.049 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000078304796 135118835 /nfs/dbraw/zinc/11/88/35/135118835.db2.gz GFUZJYRORSYHBI-GHMZBOCLSA-N 1 2 221.304 1.748 20 0 BDADLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)OC ZINC000087332129 135124234 /nfs/dbraw/zinc/12/42/34/135124234.db2.gz HMEIAWQDYQSTSV-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)OC ZINC000087332129 135124236 /nfs/dbraw/zinc/12/42/36/135124236.db2.gz HMEIAWQDYQSTSV-JTQLQIEISA-N 1 2 222.288 1.465 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000253210884 135124429 /nfs/dbraw/zinc/12/44/29/135124429.db2.gz BHTSTTSTUCXUSK-NXEZZACHSA-N 1 2 240.347 1.201 20 0 BDADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000253210884 135124431 /nfs/dbraw/zinc/12/44/31/135124431.db2.gz BHTSTTSTUCXUSK-NXEZZACHSA-N 1 2 240.347 1.201 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000087399938 135128473 /nfs/dbraw/zinc/12/84/73/135128473.db2.gz WEILUXZOUDFWHF-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000087399938 135128475 /nfs/dbraw/zinc/12/84/75/135128475.db2.gz WEILUXZOUDFWHF-JTQLQIEISA-N 1 2 229.320 1.296 20 0 BDADLO Cc1cc(NCC2(O)CCCCC2)nc[nH+]1 ZINC000078528457 135129104 /nfs/dbraw/zinc/12/91/04/135129104.db2.gz YKJQHSOGQUASME-UHFFFAOYSA-N 1 2 221.304 1.892 20 0 BDADLO CN(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000257694487 135140002 /nfs/dbraw/zinc/14/00/02/135140002.db2.gz OJIAHDORCXKNKW-SECBINFHSA-N 1 2 214.215 1.053 20 0 BDADLO COC(=O)C[N@H+](C)C[C@H](O)C1CCCCC1 ZINC000259839876 135145021 /nfs/dbraw/zinc/14/50/21/135145021.db2.gz YMTAGBZZYUODQY-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO COC(=O)C[N@@H+](C)C[C@H](O)C1CCCCC1 ZINC000259839876 135145022 /nfs/dbraw/zinc/14/50/22/135145022.db2.gz YMTAGBZZYUODQY-NSHDSACASA-N 1 2 229.320 1.032 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C1CC1 ZINC000267036549 135150891 /nfs/dbraw/zinc/15/08/91/135150891.db2.gz GJKFKYQRTJTAQX-UWVGGRQHSA-N 1 2 221.304 1.434 20 0 BDADLO CC(C)[C@@H]1CCN(Cc2noc(C[NH3+])n2)C1 ZINC000261534214 135166676 /nfs/dbraw/zinc/16/66/76/135166676.db2.gz OVFLDAMNFGEPSW-SECBINFHSA-N 1 2 224.308 1.006 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000084081604 135180597 /nfs/dbraw/zinc/18/05/97/135180597.db2.gz ISYQABXGVGQWAE-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO Cc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000084081604 135180599 /nfs/dbraw/zinc/18/05/99/135180599.db2.gz ISYQABXGVGQWAE-UHFFFAOYSA-N 1 2 215.256 1.648 20 0 BDADLO C[C@H]1CCC[C@H](N(C)Cc2noc(C[NH3+])n2)C1 ZINC000261542809 135183164 /nfs/dbraw/zinc/18/31/64/135183164.db2.gz QBQYXGMTURFCKE-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CO[C@@H](C)CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000164088842 135214193 /nfs/dbraw/zinc/21/41/93/135214193.db2.gz ZSZGSPVZVKRHSF-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO CN(C)c1nccc(C[NH2+]Cc2ccco2)n1 ZINC000342407346 135272396 /nfs/dbraw/zinc/27/23/96/135272396.db2.gz LXPMDTBHEFKPPL-UHFFFAOYSA-N 1 2 232.287 1.425 20 0 BDADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC000366777620 135279419 /nfs/dbraw/zinc/27/94/19/135279419.db2.gz JXCAEZCVTQZPHF-QWRGUYRKSA-N 1 2 249.314 1.263 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342639744 135299657 /nfs/dbraw/zinc/29/96/57/135299657.db2.gz OQQZKELTJDIIPX-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342639744 135299658 /nfs/dbraw/zinc/29/96/58/135299658.db2.gz OQQZKELTJDIIPX-NSHDSACASA-N 1 2 238.331 1.872 20 0 BDADLO Cc1nnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000342680139 135305030 /nfs/dbraw/zinc/30/50/30/135305030.db2.gz OPSAVIATBNDIPL-NSHDSACASA-N 1 2 246.270 1.431 20 0 BDADLO CN(Cc1cc[nH]n1)c1[nH+]c2ccccc2n1C ZINC000342710320 135313232 /nfs/dbraw/zinc/31/32/32/135313232.db2.gz PVQPEDMRGJIWJU-UHFFFAOYSA-N 1 2 241.298 1.933 20 0 BDADLO COCc1cnc(C[N@H+](C)[C@@H]2CCOC2)s1 ZINC000342728992 135315194 /nfs/dbraw/zinc/31/51/94/135315194.db2.gz PGFWRVUFURBPNV-SECBINFHSA-N 1 2 242.344 1.510 20 0 BDADLO COCc1cnc(C[N@@H+](C)[C@@H]2CCOC2)s1 ZINC000342728992 135315196 /nfs/dbraw/zinc/31/51/96/135315196.db2.gz PGFWRVUFURBPNV-SECBINFHSA-N 1 2 242.344 1.510 20 0 BDADLO Cc1c[nH+]c(CN(C)[C@@H](C)c2cnn(C)c2)n1C ZINC000342780603 135317606 /nfs/dbraw/zinc/31/76/06/135317606.db2.gz QGNXFKQUJIUPRS-NSHDSACASA-N 1 2 247.346 1.655 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2ccco2)n1C ZINC000342779321 135317764 /nfs/dbraw/zinc/31/77/64/135317764.db2.gz KXROBUQTMMGYPY-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCO)C2)c1 ZINC000334168720 135324234 /nfs/dbraw/zinc/32/42/34/135324234.db2.gz AOJKRTYCZNCRRK-ZDUSSCGKSA-N 1 2 241.281 1.997 20 0 BDADLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCO)C2)c1 ZINC000334168720 135324236 /nfs/dbraw/zinc/32/42/36/135324236.db2.gz AOJKRTYCZNCRRK-ZDUSSCGKSA-N 1 2 241.281 1.997 20 0 BDADLO CC[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262980158 135325688 /nfs/dbraw/zinc/32/56/88/135325688.db2.gz MREIIFOFXUNYIT-ZJUUUORDSA-N 1 2 246.301 1.632 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2nccs2)n1C ZINC000342778088 135328344 /nfs/dbraw/zinc/32/83/44/135328344.db2.gz JVMYLTIGTOHOSX-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)CC1CCC1 ZINC000079549293 135329693 /nfs/dbraw/zinc/32/96/93/135329693.db2.gz DWMWJGLHBJIGIW-UHFFFAOYSA-N 1 2 247.342 1.954 20 0 BDADLO CC1(C)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263063800 135330712 /nfs/dbraw/zinc/33/07/12/135330712.db2.gz VSWYHKHAXVIRTB-MRVPVSSYSA-N 1 2 232.274 1.242 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000366796532 135343834 /nfs/dbraw/zinc/34/38/34/135343834.db2.gz LMFICSFBRHXLKU-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000366796532 135343836 /nfs/dbraw/zinc/34/38/36/135343836.db2.gz LMFICSFBRHXLKU-NWDGAFQWSA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263315550 135346409 /nfs/dbraw/zinc/34/64/09/135346409.db2.gz ZKSADXWGAUNSMQ-DTWKUNHWSA-N 1 2 232.274 1.242 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)C(C)(C)C ZINC000265310001 135362671 /nfs/dbraw/zinc/36/26/71/135362671.db2.gz OKPDQKOCVABZQK-QMMMGPOBSA-N 1 2 209.293 1.708 20 0 BDADLO CCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000334344278 135365183 /nfs/dbraw/zinc/36/51/83/135365183.db2.gz SHQZEQHBLZYHRS-LBPRGKRZSA-N 1 2 233.315 1.355 20 0 BDADLO OC[C@]1(F)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000334348345 135367799 /nfs/dbraw/zinc/36/77/99/135367799.db2.gz SKZYNJPUHAYZOU-LBPRGKRZSA-N 1 2 227.254 1.732 20 0 BDADLO OC[C@]1(F)CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000334348345 135367800 /nfs/dbraw/zinc/36/78/00/135367800.db2.gz SKZYNJPUHAYZOU-LBPRGKRZSA-N 1 2 227.254 1.732 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000334351023 135368943 /nfs/dbraw/zinc/36/89/43/135368943.db2.gz FXMFGBJPSRXZEL-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000334351023 135368945 /nfs/dbraw/zinc/36/89/45/135368945.db2.gz FXMFGBJPSRXZEL-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cc1c[nH]nc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334376951 135378237 /nfs/dbraw/zinc/37/82/37/135378237.db2.gz FQGRBNASCZJBNP-NSHDSACASA-N 1 2 231.303 1.778 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cn1 ZINC000334379894 135379349 /nfs/dbraw/zinc/37/93/49/135379349.db2.gz HZXMRJJVBNUFOM-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cn1 ZINC000334379894 135379350 /nfs/dbraw/zinc/37/93/50/135379350.db2.gz HZXMRJJVBNUFOM-GFCCVEGCSA-N 1 2 224.279 1.296 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCOCC12CC2 ZINC000334381320 135379750 /nfs/dbraw/zinc/37/97/50/135379750.db2.gz FHTQHUMQCCNVDB-UHFFFAOYSA-N 1 2 236.315 1.910 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCOCC12CC2 ZINC000334381320 135379751 /nfs/dbraw/zinc/37/97/51/135379751.db2.gz FHTQHUMQCCNVDB-UHFFFAOYSA-N 1 2 236.315 1.910 20 0 BDADLO OC[C@@]1(F)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000334383291 135380400 /nfs/dbraw/zinc/38/04/00/135380400.db2.gz HEIYHLLBMNORRE-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO OC[C@@]1(F)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000334383291 135380401 /nfs/dbraw/zinc/38/04/01/135380401.db2.gz HEIYHLLBMNORRE-GFCCVEGCSA-N 1 2 245.244 1.871 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000299903575 135380907 /nfs/dbraw/zinc/38/09/07/135380907.db2.gz JPRHIINFQOEQGA-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000299903575 135380911 /nfs/dbraw/zinc/38/09/11/135380911.db2.gz JPRHIINFQOEQGA-RKDXNWHRSA-N 1 2 245.273 1.481 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@]2(C)CCO[C@H]2C)c[nH+]1 ZINC000334397412 135388691 /nfs/dbraw/zinc/38/86/91/135388691.db2.gz CHZTTZHRRWRZOH-CPCISQLKSA-N 1 2 223.276 1.015 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)Nc1nccs1 ZINC000334427660 135398528 /nfs/dbraw/zinc/39/85/28/135398528.db2.gz XGTRYGQEGHPTEH-UHFFFAOYSA-N 1 2 237.288 1.198 20 0 BDADLO Cc1nn(C)c(OCc2c[nH+]cn2C)c1C ZINC000334932546 135844823 /nfs/dbraw/zinc/84/48/23/135844823.db2.gz IOAGMUUQYDAQGD-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000335039304 135870994 /nfs/dbraw/zinc/87/09/94/135870994.db2.gz HKPDZYQPDRCABF-SNVBAGLBSA-N 1 2 233.315 1.783 20 0 BDADLO Cc1cc(CNC(=O)c2cn[nH]c2)cc(C)[nH+]1 ZINC000335069628 135884578 /nfs/dbraw/zinc/88/45/78/135884578.db2.gz QJBAKGJUZYBWPB-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO C[C@@H](CO)SCc1c[nH+]c2ccccn12 ZINC000346608211 135942715 /nfs/dbraw/zinc/94/27/15/135942715.db2.gz LIKAUQMYBDBIJO-VIFPVBQESA-N 1 2 222.313 1.948 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000347724259 136003642 /nfs/dbraw/zinc/00/36/42/136003642.db2.gz ZKMJFYHKRUOFOJ-RYUDHWBXSA-N 1 2 242.363 1.212 20 0 BDADLO CC[C@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000347724259 136003643 /nfs/dbraw/zinc/00/36/43/136003643.db2.gz ZKMJFYHKRUOFOJ-RYUDHWBXSA-N 1 2 242.363 1.212 20 0 BDADLO CCOC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347735527 136004359 /nfs/dbraw/zinc/00/43/59/136004359.db2.gz QLNCGZFRJLRQBA-UHFFFAOYSA-N 1 2 249.310 1.696 20 0 BDADLO Cc1cnc(=O)n(Cc2ccc(C)[nH+]c2C)c1 ZINC000335299796 136007804 /nfs/dbraw/zinc/00/78/04/136007804.db2.gz OOLOKUHSNXYVPX-UHFFFAOYSA-N 1 2 229.283 1.612 20 0 BDADLO COCC[N@H+](CC(=O)OC)CC1(SC)CC1 ZINC000347849471 136012542 /nfs/dbraw/zinc/01/25/42/136012542.db2.gz DCURHQUILZNHOH-UHFFFAOYSA-N 1 2 247.360 1.003 20 0 BDADLO COCC[N@@H+](CC(=O)OC)CC1(SC)CC1 ZINC000347849471 136012543 /nfs/dbraw/zinc/01/25/43/136012543.db2.gz DCURHQUILZNHOH-UHFFFAOYSA-N 1 2 247.360 1.003 20 0 BDADLO Cc1cc(=NCc2c[nH+]c3cccc(C)n23)[nH]o1 ZINC000347822098 136013951 /nfs/dbraw/zinc/01/39/51/136013951.db2.gz VLOYWXCAJCKVDF-UHFFFAOYSA-N 1 2 242.282 1.973 20 0 BDADLO CC[C@@H](NC(=O)CO[C@@H](C)CC)c1[nH]cc[nH+]1 ZINC000347999416 136020621 /nfs/dbraw/zinc/02/06/21/136020621.db2.gz ZRGZWDLAQSQNII-VHSXEESVSA-N 1 2 239.319 1.792 20 0 BDADLO c1c[nH+]c(CN2CCO[C@@H](C3CC3)C2)[nH]1 ZINC000335307579 136027470 /nfs/dbraw/zinc/02/74/70/136027470.db2.gz NSFABMGWERKNPN-SNVBAGLBSA-N 1 2 207.277 1.021 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)[nH]1 ZINC000335337554 136044361 /nfs/dbraw/zinc/04/43/61/136044361.db2.gz WGTUARQNVMSADE-SSDOTTSWSA-N 1 2 230.262 1.590 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(F)(F)[C@H](C)C2)[nH]1 ZINC000335337554 136044362 /nfs/dbraw/zinc/04/43/62/136044362.db2.gz WGTUARQNVMSADE-SSDOTTSWSA-N 1 2 230.262 1.590 20 0 BDADLO CC1(C)C[N@H+](Cc2c[nH]cn2)[C@@H]1[C@@H]1CCCO1 ZINC000335323973 136051025 /nfs/dbraw/zinc/05/10/25/136051025.db2.gz UOHWGKKRHLEAEI-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@@H]1[C@@H]1CCCO1 ZINC000335323973 136051026 /nfs/dbraw/zinc/05/10/26/136051026.db2.gz UOHWGKKRHLEAEI-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@H+](Cc2cnc[nH]2)[C@@H]1[C@@H]1CCCO1 ZINC000335323973 136051027 /nfs/dbraw/zinc/05/10/27/136051027.db2.gz UOHWGKKRHLEAEI-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@@H]1[C@@H]1CCCO1 ZINC000335323973 136051028 /nfs/dbraw/zinc/05/10/28/136051028.db2.gz UOHWGKKRHLEAEI-NWDGAFQWSA-N 1 2 235.331 1.799 20 0 BDADLO O=C(C[C@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335331801 136053942 /nfs/dbraw/zinc/05/39/42/136053942.db2.gz BWTSLNSHGZUPSL-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO Cc1occc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335334909 136055420 /nfs/dbraw/zinc/05/54/20/136055420.db2.gz WMVPODFCXJBCEV-JTQLQIEISA-N 1 2 245.282 1.529 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)CCC1CC1 ZINC000348299803 136063489 /nfs/dbraw/zinc/06/34/89/136063489.db2.gz FEOIDNVENGYGIJ-UHFFFAOYSA-N 1 2 234.299 1.897 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335349023 136068031 /nfs/dbraw/zinc/06/80/31/136068031.db2.gz OAXNZQDYFNNMPM-ZYHUDNBSSA-N 1 2 222.336 1.135 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)Cc1ccoc1 ZINC000348372725 136073532 /nfs/dbraw/zinc/07/35/32/136073532.db2.gz FSSDNKDRIKJPNT-UHFFFAOYSA-N 1 2 246.266 1.542 20 0 BDADLO C[C@H](c1cnccn1)[N@H+](C)Cc1ccnn1C ZINC000348378199 136073596 /nfs/dbraw/zinc/07/35/96/136073596.db2.gz SFWPUFXYMDJRAZ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+](C)Cc1ccnn1C ZINC000348378199 136073597 /nfs/dbraw/zinc/07/35/97/136073597.db2.gz SFWPUFXYMDJRAZ-SNVBAGLBSA-N 1 2 231.303 1.403 20 0 BDADLO CC(C)n1cc[nH+]c1CN(C)Cc1ccnn1C ZINC000348377268 136073728 /nfs/dbraw/zinc/07/37/28/136073728.db2.gz RGIOCLZPUIHBRN-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)[C@@H]1C ZINC000335367531 136082135 /nfs/dbraw/zinc/08/21/35/136082135.db2.gz UPINXUWIUJOVGV-RKDXNWHRSA-N 1 2 220.320 1.533 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)[C@@H]1C ZINC000335367531 136082136 /nfs/dbraw/zinc/08/21/36/136082136.db2.gz UPINXUWIUJOVGV-RKDXNWHRSA-N 1 2 220.320 1.533 20 0 BDADLO C[C@@H]1C[N@H+](CCc2ccncc2)CC[S@]1=O ZINC000335371441 136083522 /nfs/dbraw/zinc/08/35/22/136083522.db2.gz CYMGZUHBJWYCPB-BDJLRTHQSA-N 1 2 238.356 1.077 20 0 BDADLO C[C@@H]1C[N@@H+](CCc2ccncc2)CC[S@]1=O ZINC000335371441 136083523 /nfs/dbraw/zinc/08/35/23/136083523.db2.gz CYMGZUHBJWYCPB-BDJLRTHQSA-N 1 2 238.356 1.077 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CO[C@@H](C)C1 ZINC000335397477 136093184 /nfs/dbraw/zinc/09/31/84/136093184.db2.gz YNNVLHMDUATYEJ-VHSXEESVSA-N 1 2 235.287 1.111 20 0 BDADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC2)n1 ZINC000348543210 136095658 /nfs/dbraw/zinc/09/56/58/136095658.db2.gz GQFWANFRZLAIIV-NSHDSACASA-N 1 2 247.342 1.489 20 0 BDADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC2)n1 ZINC000348543210 136095659 /nfs/dbraw/zinc/09/56/59/136095659.db2.gz GQFWANFRZLAIIV-NSHDSACASA-N 1 2 247.342 1.489 20 0 BDADLO O=C(NC1CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335549799 136097735 /nfs/dbraw/zinc/09/77/35/136097735.db2.gz VWNWJMIXDUDRKJ-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO O=C(C1CC2(CCC2)C1)N1CCn2c[nH+]cc2C1 ZINC000335554954 136099082 /nfs/dbraw/zinc/09/90/82/136099082.db2.gz PLSIGAVWLZERGY-UHFFFAOYSA-N 1 2 245.326 1.806 20 0 BDADLO Cc1cc(C)c(CNC(=O)Nc2ccon2)c[nH+]1 ZINC000335584950 136102009 /nfs/dbraw/zinc/10/20/09/136102009.db2.gz ZYIMTLCOTYBDEB-UHFFFAOYSA-N 1 2 246.270 1.430 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592966 136104005 /nfs/dbraw/zinc/10/40/05/136104005.db2.gz YBFMVDAFERRRQO-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCO1 ZINC000335592966 136104006 /nfs/dbraw/zinc/10/40/06/136104006.db2.gz YBFMVDAFERRRQO-MNOVXSKESA-N 1 2 240.347 1.107 20 0 BDADLO C[C@H]1C[NH+](Cc2cnns2)C[C@H](C)S1 ZINC000335569751 136108762 /nfs/dbraw/zinc/10/87/62/136108762.db2.gz DPIKUIBYJFSIIO-YUMQZZPRSA-N 1 2 229.374 1.864 20 0 BDADLO O=C(CCC1CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367047018 136112303 /nfs/dbraw/zinc/11/23/03/136112303.db2.gz ZYPJPMOBIKXNLA-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO O=C(CCC1CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367047018 136112304 /nfs/dbraw/zinc/11/23/04/136112304.db2.gz ZYPJPMOBIKXNLA-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1=CCCC1 ZINC000348635001 136114168 /nfs/dbraw/zinc/11/41/68/136114168.db2.gz KVRMLBQECSLAIP-SNVBAGLBSA-N 1 2 219.288 1.498 20 0 BDADLO Cc1[nH]c(CN2CC(F)(F)C[C@H]2CO)[nH+]c1C ZINC000628244051 397732295 /nfs/dbraw/zinc/73/22/95/397732295.db2.gz QNJUHIZDPBSSOZ-VIFPVBQESA-N 1 2 245.273 1.228 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](COC)C1CC1 ZINC000181572881 397810039 /nfs/dbraw/zinc/81/00/39/397810039.db2.gz MGZDUPZJBSAWEO-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](COC)C1CC1 ZINC000181572939 397810593 /nfs/dbraw/zinc/81/05/93/397810593.db2.gz MGZDUPZJBSAWEO-GHMZBOCLSA-N 1 2 229.320 1.343 20 0 BDADLO CCc1cc(CNc2cc(C)[nH+]cn2)on1 ZINC000301346630 397788467 /nfs/dbraw/zinc/78/84/67/397788467.db2.gz JYQMNQXPLSOSLV-UHFFFAOYSA-N 1 2 218.260 1.948 20 0 BDADLO CO[C@@H]([C@@H](C)[NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000388356419 397889745 /nfs/dbraw/zinc/88/97/45/397889745.db2.gz QVJRFUYPSPEYMC-SKDRFNHKSA-N 1 2 223.320 1.621 20 0 BDADLO CC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000106384999 397855962 /nfs/dbraw/zinc/85/59/62/397855962.db2.gz NPRQBKLEBYHUAM-VIFPVBQESA-N 1 2 217.309 1.031 20 0 BDADLO CC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000106384999 397855967 /nfs/dbraw/zinc/85/59/67/397855967.db2.gz NPRQBKLEBYHUAM-VIFPVBQESA-N 1 2 217.309 1.031 20 0 BDADLO CO[C@@H]([C@H](C)[NH2+]Cc1cn[nH]c1C)C1CC1 ZINC000388356417 397890034 /nfs/dbraw/zinc/89/00/34/397890034.db2.gz QVJRFUYPSPEYMC-CABZTGNLSA-N 1 2 223.320 1.621 20 0 BDADLO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000440529451 397931673 /nfs/dbraw/zinc/93/16/73/397931673.db2.gz HIEOLYUCYQAGOO-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO C[C@H](O)C[N@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000594056831 397965824 /nfs/dbraw/zinc/96/58/24/397965824.db2.gz ZFXQGBLWNIWFDY-VIFPVBQESA-N 1 2 229.320 1.173 20 0 BDADLO C[C@H](O)C[N@@H+](CC(=O)OC(C)(C)C)C1CC1 ZINC000594056831 397965829 /nfs/dbraw/zinc/96/58/29/397965829.db2.gz ZFXQGBLWNIWFDY-VIFPVBQESA-N 1 2 229.320 1.173 20 0 BDADLO COC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057266 397966140 /nfs/dbraw/zinc/96/61/40/397966140.db2.gz BRKBGRUZBRQOPI-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO COC(=O)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594057266 397966144 /nfs/dbraw/zinc/96/61/44/397966144.db2.gz BRKBGRUZBRQOPI-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CC[N@H+](CCO)Cc1csc([C@@H](C)OC)n1 ZINC000266981093 397941304 /nfs/dbraw/zinc/94/13/04/397941304.db2.gz AKKMLVZILHYABL-SECBINFHSA-N 1 2 244.360 1.665 20 0 BDADLO CC[N@@H+](CCO)Cc1csc([C@@H](C)OC)n1 ZINC000266981093 397941307 /nfs/dbraw/zinc/94/13/07/397941307.db2.gz AKKMLVZILHYABL-SECBINFHSA-N 1 2 244.360 1.665 20 0 BDADLO CC(C)(C)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000269149640 397956669 /nfs/dbraw/zinc/95/66/69/397956669.db2.gz MIWNUYDRAXEHIG-UHFFFAOYSA-N 1 2 221.260 1.218 20 0 BDADLO CS[C@@H]1CCCC[N@H+](CCc2cnn[nH]2)C1 ZINC000590605257 397905751 /nfs/dbraw/zinc/90/57/51/397905751.db2.gz GRHGWOJXFYCFRM-LLVKDONJSA-N 1 2 240.376 1.565 20 0 BDADLO CS[C@@H]1CCCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000590605257 397905753 /nfs/dbraw/zinc/90/57/53/397905753.db2.gz GRHGWOJXFYCFRM-LLVKDONJSA-N 1 2 240.376 1.565 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)OC(C)C)CCO1 ZINC000590662183 397909087 /nfs/dbraw/zinc/90/90/87/397909087.db2.gz AXVDQQCEXPQSJK-QJPTWQEYSA-N 1 2 243.347 1.874 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000271132134 397963430 /nfs/dbraw/zinc/96/34/30/397963430.db2.gz QJQBVNQJOAHEAF-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000271132134 397963433 /nfs/dbraw/zinc/96/34/33/397963433.db2.gz QJQBVNQJOAHEAF-VXGBXAGGSA-N 1 2 221.304 1.173 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)C1CC1 ZINC000271134985 397963474 /nfs/dbraw/zinc/96/34/74/397963474.db2.gz ODOVZFBDSAMEEC-LLVKDONJSA-N 1 2 235.287 1.282 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H](C)O1 ZINC000649528978 397921133 /nfs/dbraw/zinc/92/11/33/397921133.db2.gz ZVYHVUAAICWPCC-FZMZJTMJSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H](C)O1 ZINC000649528978 397921136 /nfs/dbraw/zinc/92/11/36/397921136.db2.gz ZVYHVUAAICWPCC-FZMZJTMJSA-N 1 2 249.358 1.829 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000355786913 397922665 /nfs/dbraw/zinc/92/26/65/397922665.db2.gz SEIGEQPJEVIZLM-ONGXEEELSA-N 1 2 249.362 1.871 20 0 BDADLO CC[C@H]1[C@@H](C)CCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000355786913 397922669 /nfs/dbraw/zinc/92/26/69/397922669.db2.gz SEIGEQPJEVIZLM-ONGXEEELSA-N 1 2 249.362 1.871 20 0 BDADLO c1cn(Cc2nc(-c3cccnc3)no2)c[nH+]1 ZINC000120543758 397996736 /nfs/dbraw/zinc/99/67/36/397996736.db2.gz QPCSIZKHNIZOMV-UHFFFAOYSA-N 1 2 227.227 1.376 20 0 BDADLO COCc1cc[nH+]c(NCc2cc[nH]n2)c1 ZINC000650243557 398006491 /nfs/dbraw/zinc/00/64/91/398006491.db2.gz DWKJORJFEKZCCZ-UHFFFAOYSA-N 1 2 218.260 1.563 20 0 BDADLO O=C1CC[C@@H](C[N@@H+]2Cc3cccc(F)c3C2)N1 ZINC000649627850 398009776 /nfs/dbraw/zinc/00/97/76/398009776.db2.gz XZMDPRFGWNAOMR-JTQLQIEISA-N 1 2 234.274 1.420 20 0 BDADLO O=C1CC[C@@H](C[N@H+]2Cc3cccc(F)c3C2)N1 ZINC000649627850 398009778 /nfs/dbraw/zinc/00/97/78/398009778.db2.gz XZMDPRFGWNAOMR-JTQLQIEISA-N 1 2 234.274 1.420 20 0 BDADLO C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000649646614 398020289 /nfs/dbraw/zinc/02/02/89/398020289.db2.gz KATKAQPQCQYZBR-WDEREUQCSA-N 1 2 235.331 1.997 20 0 BDADLO CCOC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000649650448 398021321 /nfs/dbraw/zinc/02/13/21/398021321.db2.gz YMJHYZGJFHIFIM-SECBINFHSA-N 1 2 238.335 1.675 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C1(C)CC1 ZINC000123409176 398028057 /nfs/dbraw/zinc/02/80/57/398028057.db2.gz YSZWWBMNFGVKEO-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO CSCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000598264580 398030120 /nfs/dbraw/zinc/03/01/20/398030120.db2.gz ZDTSAZPUVZBMRE-UHFFFAOYSA-N 1 2 235.312 1.944 20 0 BDADLO CCn1cc[nH+]c1CNc1cnc(C#N)cn1 ZINC000385320494 398035124 /nfs/dbraw/zinc/03/51/24/398035124.db2.gz IMWXFFOPYLZNER-UHFFFAOYSA-N 1 2 228.259 1.177 20 0 BDADLO CN(C)c1ccc(NCc2cnccn2)c[nH+]1 ZINC000054766002 398039305 /nfs/dbraw/zinc/03/93/05/398039305.db2.gz TVMQZUSONANINZ-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO C[N@H+](Cc1cccc(F)c1)Cc1nccc(N)n1 ZINC000134966212 397977548 /nfs/dbraw/zinc/97/75/48/397977548.db2.gz OZJIWOUEILGLSJ-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[N@@H+](Cc1cccc(F)c1)Cc1nccc(N)n1 ZINC000134966212 397977554 /nfs/dbraw/zinc/97/75/54/397977554.db2.gz OZJIWOUEILGLSJ-UHFFFAOYSA-N 1 2 246.289 1.830 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N1CCCC(F)(F)C1 ZINC000649695348 398043125 /nfs/dbraw/zinc/04/31/25/398043125.db2.gz SITNPSFDKQBTID-LLVKDONJSA-N 1 2 248.317 1.438 20 0 BDADLO COCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000555007799 397987468 /nfs/dbraw/zinc/98/74/68/397987468.db2.gz JHCBBXYNCJNZBB-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cncs1 ZINC000093417830 397988224 /nfs/dbraw/zinc/98/82/24/397988224.db2.gz UDZJEPPQDAAOKT-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cncs1 ZINC000093417830 397988226 /nfs/dbraw/zinc/98/82/26/397988226.db2.gz UDZJEPPQDAAOKT-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccn(C)n1 ZINC000649719642 398062243 /nfs/dbraw/zinc/06/22/43/398062243.db2.gz UMWOUJZOSKFETM-OLZOCXBDSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccn(C)n1 ZINC000649719642 398062249 /nfs/dbraw/zinc/06/22/49/398062249.db2.gz UMWOUJZOSKFETM-OLZOCXBDSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC2CC2)[C@@H](CC)CO1 ZINC000649723086 398065788 /nfs/dbraw/zinc/06/57/88/398065788.db2.gz XUJOYZPNVLFCCO-NWDGAFQWSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)[C@@H](CC)CO1 ZINC000649723086 398065795 /nfs/dbraw/zinc/06/57/95/398065795.db2.gz XUJOYZPNVLFCCO-NWDGAFQWSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)N(CC)CC)[C@H](C)CO1 ZINC000649729519 398068261 /nfs/dbraw/zinc/06/82/61/398068261.db2.gz BCZDVNIAUNDITJ-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CC)[C@H](C)CO1 ZINC000649729519 398068267 /nfs/dbraw/zinc/06/82/67/398068267.db2.gz BCZDVNIAUNDITJ-NEPJUHHUSA-N 1 2 242.363 1.354 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000649735818 398076568 /nfs/dbraw/zinc/07/65/68/398076568.db2.gz RCCTWWBEOSUONE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccn(C)n2)[C@@H](C)CO1 ZINC000649735818 398076571 /nfs/dbraw/zinc/07/65/71/398076571.db2.gz RCCTWWBEOSUONE-JQWIXIFHSA-N 1 2 223.320 1.419 20 0 BDADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccccc1 ZINC000116285418 398090250 /nfs/dbraw/zinc/09/02/50/398090250.db2.gz UTQKXYNGFNGDOP-CHWSQXEVSA-N 1 2 249.310 1.449 20 0 BDADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccccc1 ZINC000116285418 398090252 /nfs/dbraw/zinc/09/02/52/398090252.db2.gz UTQKXYNGFNGDOP-CHWSQXEVSA-N 1 2 249.310 1.449 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](OC(C)C)C2)[nH]1 ZINC000649703674 398051049 /nfs/dbraw/zinc/05/10/49/398051049.db2.gz JNVJBNPKTGQTDJ-NSHDSACASA-N 1 2 238.335 1.503 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](OC(C)C)C2)[nH]1 ZINC000649703674 398051050 /nfs/dbraw/zinc/05/10/50/398051050.db2.gz JNVJBNPKTGQTDJ-NSHDSACASA-N 1 2 238.335 1.503 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000649702710 398051201 /nfs/dbraw/zinc/05/12/01/398051201.db2.gz LHTZGWTWZGGQQD-LBPRGKRZSA-N 1 2 235.331 1.866 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000649702710 398051203 /nfs/dbraw/zinc/05/12/03/398051203.db2.gz LHTZGWTWZGGQQD-LBPRGKRZSA-N 1 2 235.331 1.866 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000649704205 398051974 /nfs/dbraw/zinc/05/19/74/398051974.db2.gz ZJEGLMUBBYZSEB-NSHDSACASA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000649704205 398051977 /nfs/dbraw/zinc/05/19/77/398051977.db2.gz ZJEGLMUBBYZSEB-NSHDSACASA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000649704205 398051980 /nfs/dbraw/zinc/05/19/80/398051980.db2.gz ZJEGLMUBBYZSEB-NSHDSACASA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000649704205 398051982 /nfs/dbraw/zinc/05/19/82/398051982.db2.gz ZJEGLMUBBYZSEB-NSHDSACASA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000649704205 398051985 /nfs/dbraw/zinc/05/19/85/398051985.db2.gz ZJEGLMUBBYZSEB-NSHDSACASA-N 1 2 224.308 1.194 20 0 BDADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000649704205 398051987 /nfs/dbraw/zinc/05/19/87/398051987.db2.gz ZJEGLMUBBYZSEB-NSHDSACASA-N 1 2 224.308 1.194 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nc(C)no1 ZINC000649715041 398056571 /nfs/dbraw/zinc/05/65/71/398056571.db2.gz RYGWBJPQJWIPAW-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nc(C)no1 ZINC000649715041 398056575 /nfs/dbraw/zinc/05/65/75/398056575.db2.gz RYGWBJPQJWIPAW-SNVBAGLBSA-N 1 2 239.319 1.767 20 0 BDADLO CC(C)CC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000620284668 398092090 /nfs/dbraw/zinc/09/20/90/398092090.db2.gz ZBZZJCVKQGTPLX-UHFFFAOYSA-N 1 2 221.304 1.578 20 0 BDADLO COC1(C)C[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC000307937661 398098979 /nfs/dbraw/zinc/09/89/79/398098979.db2.gz PEVOEKLRPHJOJL-SSDOTTSWSA-N 1 2 227.226 1.020 20 0 BDADLO CCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046886561 398098078 /nfs/dbraw/zinc/09/80/78/398098078.db2.gz KBJVMVZFVPYWMF-LLVKDONJSA-N 1 2 228.336 1.014 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](O)C[C@H](C)C2)s1 ZINC000650330451 398116775 /nfs/dbraw/zinc/11/67/75/398116775.db2.gz URPOPCLBXZJSCM-DTWKUNHWSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)s1 ZINC000650330451 398116778 /nfs/dbraw/zinc/11/67/78/398116778.db2.gz URPOPCLBXZJSCM-DTWKUNHWSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+](C)CC(C)(C)CO)s1 ZINC000649806723 398113307 /nfs/dbraw/zinc/11/33/07/398113307.db2.gz RBSNLCJDZXXPKQ-UHFFFAOYSA-N 1 2 243.376 1.551 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC(C)(C)CO)s1 ZINC000649806723 398113309 /nfs/dbraw/zinc/11/33/09/398113309.db2.gz RBSNLCJDZXXPKQ-UHFFFAOYSA-N 1 2 243.376 1.551 20 0 BDADLO COc1nccnc1C[NH2+][C@@H](C)c1ccccn1 ZINC000294340128 398126570 /nfs/dbraw/zinc/12/65/70/398126570.db2.gz YJLIOGZKAOMKFG-JTQLQIEISA-N 1 2 244.298 1.731 20 0 BDADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649824543 398127149 /nfs/dbraw/zinc/12/71/49/398127149.db2.gz FWQQYXHJPPNXTD-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(C)C(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649824543 398127151 /nfs/dbraw/zinc/12/71/51/398127151.db2.gz FWQQYXHJPPNXTD-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000368503268 167021372 /nfs/dbraw/zinc/02/13/72/167021372.db2.gz KKESIWMIHZBNEV-ZDUSSCGKSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000368503268 167021376 /nfs/dbraw/zinc/02/13/76/167021376.db2.gz KKESIWMIHZBNEV-ZDUSSCGKSA-N 1 2 241.331 1.441 20 0 BDADLO CCc1cc(N(C)[C@H](C)C(=O)OC)cc[nH+]1 ZINC000260431456 322884150 /nfs/dbraw/zinc/88/41/50/322884150.db2.gz PYOXDYZUKNKPKU-SECBINFHSA-N 1 2 222.288 1.642 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1C1CC1 ZINC000674361581 487564987 /nfs/dbraw/zinc/56/49/87/487564987.db2.gz PRSLUDFRBBYLMG-VHSXEESVSA-N 1 2 205.261 1.072 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000674361581 487564992 /nfs/dbraw/zinc/56/49/92/487564992.db2.gz PRSLUDFRBBYLMG-VHSXEESVSA-N 1 2 205.261 1.072 20 0 BDADLO CCc1ncc(C[NH+]2CC3(CC3)C2)cn1 ZINC000334853718 487571146 /nfs/dbraw/zinc/57/11/46/487571146.db2.gz NBXBEWOBIGZTOK-UHFFFAOYSA-N 1 2 203.289 1.635 20 0 BDADLO CCc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)nc[nH+]1 ZINC000674414412 487573020 /nfs/dbraw/zinc/57/30/20/487573020.db2.gz YQEPDNFONCDWAF-SNVBAGLBSA-N 1 2 246.314 1.214 20 0 BDADLO CC(C)OCCC[N@H+](CCO)CC(F)F ZINC000194866277 167211104 /nfs/dbraw/zinc/21/11/04/167211104.db2.gz ZAJNXAKSXSXDIP-UHFFFAOYSA-N 1 2 225.279 1.361 20 0 BDADLO CC(C)OCCC[N@@H+](CCO)CC(F)F ZINC000194866277 167211107 /nfs/dbraw/zinc/21/11/07/167211107.db2.gz ZAJNXAKSXSXDIP-UHFFFAOYSA-N 1 2 225.279 1.361 20 0 BDADLO CC(C)OCCC[N@@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352762829 167214624 /nfs/dbraw/zinc/21/46/24/167214624.db2.gz YHLAANPDNIGLIN-XHDPSFHLSA-N 1 2 233.377 1.254 20 0 BDADLO CC(C)OCCC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000352762829 167214629 /nfs/dbraw/zinc/21/46/29/167214629.db2.gz YHLAANPDNIGLIN-XHDPSFHLSA-N 1 2 233.377 1.254 20 0 BDADLO O=C([O-])c1ccc(NCCCn2cc[nH+]c2)[nH+]c1 ZINC000020506426 487587828 /nfs/dbraw/zinc/58/78/28/487587828.db2.gz MIWKNAZMOMXKQB-UHFFFAOYSA-N 1 2 246.270 1.479 20 0 BDADLO COc1ccc(NCc2cn(C(C)C)nn2)[nH+]c1 ZINC000672250146 487590307 /nfs/dbraw/zinc/59/03/07/487590307.db2.gz OKFIMFLGJAYFNZ-UHFFFAOYSA-N 1 2 247.302 1.875 20 0 BDADLO CC[C@@H](C[N@@H+]1Cc2ccccc2NC(=O)C1)OC ZINC000653828843 487594600 /nfs/dbraw/zinc/59/46/00/487594600.db2.gz HVISDJFPHUFUNB-LBPRGKRZSA-N 1 2 248.326 1.866 20 0 BDADLO CC[C@@H](C[N@H+]1Cc2ccccc2NC(=O)C1)OC ZINC000653828843 487594605 /nfs/dbraw/zinc/59/46/05/487594605.db2.gz HVISDJFPHUFUNB-LBPRGKRZSA-N 1 2 248.326 1.866 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](O)[C@H]2C)s1 ZINC000650190923 487598268 /nfs/dbraw/zinc/59/82/68/487598268.db2.gz IHOOLBFUMGVYJM-RKDXNWHRSA-N 1 2 241.360 1.617 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H](O)[C@H]2C)s1 ZINC000650190923 487598275 /nfs/dbraw/zinc/59/82/75/487598275.db2.gz IHOOLBFUMGVYJM-RKDXNWHRSA-N 1 2 241.360 1.617 20 0 BDADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000556748136 322921696 /nfs/dbraw/zinc/92/16/96/322921696.db2.gz HLBJPNHRLIWOOA-GHMZBOCLSA-N 1 2 221.304 1.388 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CC1)C1CC1 ZINC000556784039 322923771 /nfs/dbraw/zinc/92/37/71/322923771.db2.gz JRMBBFDWPFBSEG-NSHDSACASA-N 1 2 248.330 1.580 20 0 BDADLO Cn1cc(CNc2cc[nH+]c(C3CC3)n2)cn1 ZINC000110267100 410201843 /nfs/dbraw/zinc/20/18/43/410201843.db2.gz DFONBNBXWLWDDR-UHFFFAOYSA-N 1 2 229.287 1.700 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CC12CCC2)c1[nH]cc[nH+]1 ZINC000655401774 410205382 /nfs/dbraw/zinc/20/53/82/410205382.db2.gz BWNLPUALCRZYPX-RKDXNWHRSA-N 1 2 219.288 1.777 20 0 BDADLO c1coc(C2CC[NH+](Cc3cnn[nH]3)CC2)c1 ZINC000661161094 410313087 /nfs/dbraw/zinc/31/30/87/410313087.db2.gz KOYRJGJYSFTENX-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO c1coc(C2CC[NH+](Cc3c[nH]nn3)CC2)c1 ZINC000661161094 410313093 /nfs/dbraw/zinc/31/30/93/410313093.db2.gz KOYRJGJYSFTENX-UHFFFAOYSA-N 1 2 232.287 1.777 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650717077 410354842 /nfs/dbraw/zinc/35/48/42/410354842.db2.gz RECKTIQLKFZVPL-CYBMUJFWSA-N 1 2 242.326 1.845 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1[nH+]ccc2c(N)cccc21 ZINC000663979532 410417287 /nfs/dbraw/zinc/41/72/87/410417287.db2.gz KXBAKJCPSPVRBS-NOZJJQNGSA-N 1 2 243.310 1.777 20 0 BDADLO Cc1cn2ccc(C(=O)NC(C)C)cc2[nH+]1 ZINC000071540727 410417727 /nfs/dbraw/zinc/41/77/27/410417727.db2.gz XNTZIJPPUDIRHS-UHFFFAOYSA-N 1 2 217.272 1.781 20 0 BDADLO CC(C)c1cc(N2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000663918438 410372290 /nfs/dbraw/zinc/37/22/90/410372290.db2.gz AAKFLBAHUXDPDB-UHFFFAOYSA-N 1 2 243.314 1.886 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)c1nc(C2CC2)ns1 ZINC000664126375 410461569 /nfs/dbraw/zinc/46/15/69/410461569.db2.gz IRWCPLHHYWRZNO-UHFFFAOYSA-N 1 2 235.316 1.775 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)c1nc(C2CC2)ns1 ZINC000664126375 410461575 /nfs/dbraw/zinc/46/15/75/410461575.db2.gz IRWCPLHHYWRZNO-UHFFFAOYSA-N 1 2 235.316 1.775 20 0 BDADLO Cc1nc(N[C@H]2C[C@H](O)C23CCC3)cc[nH+]1 ZINC000664467460 410588008 /nfs/dbraw/zinc/58/80/08/410588008.db2.gz RWFRDMAQZXGRNU-UWVGGRQHSA-N 1 2 219.288 1.500 20 0 BDADLO O=C1CC[C@H]2CN(c3cccc[nH+]3)CC[C@H]2N1 ZINC000664341534 410559713 /nfs/dbraw/zinc/55/97/13/410559713.db2.gz POUFAHHKVMZFHE-WDEREUQCSA-N 1 2 231.299 1.187 20 0 BDADLO Cc1nc(N2C[C@H](C)[C@](C)(CO)C2)cc[nH+]1 ZINC000664599667 410610480 /nfs/dbraw/zinc/61/04/80/410610480.db2.gz XOMZHBCIGIJLEF-CABZTGNLSA-N 1 2 221.304 1.240 20 0 BDADLO CC[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826713 410638206 /nfs/dbraw/zinc/63/82/06/410638206.db2.gz XDRQFDFLXJDCDE-RYUDHWBXSA-N 1 2 247.342 1.728 20 0 BDADLO CC[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826713 410638208 /nfs/dbraw/zinc/63/82/08/410638208.db2.gz XDRQFDFLXJDCDE-RYUDHWBXSA-N 1 2 247.342 1.728 20 0 BDADLO CCn1nccc1CC[N@H+](C)Cc1nnc(C)o1 ZINC000661529190 410728913 /nfs/dbraw/zinc/72/89/13/410728913.db2.gz QSWRZBGFSIGIOL-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CCn1nccc1CC[N@@H+](C)Cc1nnc(C)o1 ZINC000661529190 410728916 /nfs/dbraw/zinc/72/89/16/410728916.db2.gz QSWRZBGFSIGIOL-UHFFFAOYSA-N 1 2 249.318 1.269 20 0 BDADLO CC(C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651073196 410782572 /nfs/dbraw/zinc/78/25/72/410782572.db2.gz WWPAPGMYJZRIFM-UHFFFAOYSA-N 1 2 235.331 1.629 20 0 BDADLO C[C@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000674791692 487619177 /nfs/dbraw/zinc/61/91/77/487619177.db2.gz ZHYPYAXWEYJVGU-CYBMUJFWSA-N 1 2 245.282 1.842 20 0 BDADLO C[C@@H](CC(=O)N1CCSCC1)n1cc[nH+]c1 ZINC000651120508 410822631 /nfs/dbraw/zinc/82/26/31/410822631.db2.gz FKZBHGOCPOACCP-JTQLQIEISA-N 1 2 239.344 1.410 20 0 BDADLO OCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000040864102 410895590 /nfs/dbraw/zinc/89/55/90/410895590.db2.gz QPMBBQBYFXWQLQ-UHFFFAOYSA-N 1 2 206.289 1.954 20 0 BDADLO CC(C)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000070250268 166997532 /nfs/dbraw/zinc/99/75/32/166997532.db2.gz KIRMSGDNOQWXCG-UHFFFAOYSA-N 1 2 244.298 1.653 20 0 BDADLO C[C@@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000040863940 410896917 /nfs/dbraw/zinc/89/69/17/410896917.db2.gz IGGSMACUHCLQBK-SNVBAGLBSA-N 1 2 206.289 1.953 20 0 BDADLO CC(C)NC(=O)CCNc1cccc[nH+]1 ZINC000076605991 167043775 /nfs/dbraw/zinc/04/37/75/167043775.db2.gz UPQZQCLASGRPDB-UHFFFAOYSA-N 1 2 207.277 1.408 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000023706720 167054661 /nfs/dbraw/zinc/05/46/61/167054661.db2.gz YNNBPCWHESMTMR-LLVKDONJSA-N 1 2 235.331 1.389 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000023706720 167054664 /nfs/dbraw/zinc/05/46/64/167054664.db2.gz YNNBPCWHESMTMR-LLVKDONJSA-N 1 2 235.331 1.389 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000070733090 167058133 /nfs/dbraw/zinc/05/81/33/167058133.db2.gz XDQGNFMZNLKPDY-QMMMGPOBSA-N 1 2 227.333 1.318 20 0 BDADLO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000294289448 167061834 /nfs/dbraw/zinc/06/18/34/167061834.db2.gz ZCIMVJSRJBMOBW-ZJUUUORDSA-N 1 2 236.319 1.003 20 0 BDADLO CC(=O)CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000218355770 410907624 /nfs/dbraw/zinc/90/76/24/410907624.db2.gz XXHWLPPIRZNITN-AWEZNQCLSA-N 1 2 232.327 1.564 20 0 BDADLO CC(=O)CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000218355770 410907629 /nfs/dbraw/zinc/90/76/29/410907629.db2.gz XXHWLPPIRZNITN-AWEZNQCLSA-N 1 2 232.327 1.564 20 0 BDADLO CCCC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000651302598 410911226 /nfs/dbraw/zinc/91/12/26/410911226.db2.gz HGYUVLBEWNEWDD-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC(C)Oc1cc(NCc2[nH+]ccn2C)ncn1 ZINC000090793997 167286344 /nfs/dbraw/zinc/28/63/44/167286344.db2.gz UMEGNZQBPUCNRE-UHFFFAOYSA-N 1 2 247.302 1.609 20 0 BDADLO CC(C)n1c[nH+]cc1CNCc1cocn1 ZINC000397862909 410936212 /nfs/dbraw/zinc/93/62/12/410936212.db2.gz YXWUWKCJSQNWTB-UHFFFAOYSA-N 1 2 220.276 1.742 20 0 BDADLO Cc1ncsc1CN(C)c1cc(CO)cc[nH+]1 ZINC000104447174 410936608 /nfs/dbraw/zinc/93/66/08/410936608.db2.gz RJIJEIDOMJXAJJ-UHFFFAOYSA-N 1 2 249.339 1.975 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376954512 167360717 /nfs/dbraw/zinc/36/07/17/167360717.db2.gz LFNIWXSDFILSTN-RYUDHWBXSA-N 1 2 249.358 1.854 20 0 BDADLO CC(C)[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294381176 167386342 /nfs/dbraw/zinc/38/63/42/167386342.db2.gz MBXJZWAPHBUYIJ-VHSXEESVSA-N 1 2 238.335 1.726 20 0 BDADLO CC(C)[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294381176 167386343 /nfs/dbraw/zinc/38/63/43/167386343.db2.gz MBXJZWAPHBUYIJ-VHSXEESVSA-N 1 2 238.335 1.726 20 0 BDADLO COC[C@@H]1C[C@@H](O)CN1c1[nH]c2ccccc2[nH+]1 ZINC000651410146 410992866 /nfs/dbraw/zinc/99/28/66/410992866.db2.gz LHOAPOLMPURHLE-VHSXEESVSA-N 1 2 247.298 1.149 20 0 BDADLO CC(C)=CCNc1[nH+]cnc2c1cnn2C ZINC000190372379 411044708 /nfs/dbraw/zinc/04/47/08/411044708.db2.gz YFNNWTIVHKGGKD-UHFFFAOYSA-N 1 2 217.276 1.741 20 0 BDADLO Cn1c2ccccc2[nH+]c1N[C@@H](CO)CCF ZINC000651463106 411046357 /nfs/dbraw/zinc/04/63/57/411046357.db2.gz KKWSLFBHQMMBDU-SECBINFHSA-N 1 2 237.278 1.128 20 0 BDADLO CCC[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000043001844 411065290 /nfs/dbraw/zinc/06/52/90/411065290.db2.gz IKXBRIDQTIHLNU-SNVBAGLBSA-N 1 2 224.308 1.371 20 0 BDADLO C[NH+]1CCC(CNc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000044526996 411137262 /nfs/dbraw/zinc/13/72/62/411137262.db2.gz WOKGVPCXTPYNJU-UHFFFAOYSA-N 1 2 249.314 1.534 20 0 BDADLO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccon1 ZINC000657897511 411158870 /nfs/dbraw/zinc/15/88/70/411158870.db2.gz GAKDVERZSRCTRO-JTQLQIEISA-N 1 2 218.260 1.496 20 0 BDADLO Cc1ccnc(C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC000653660118 411158931 /nfs/dbraw/zinc/15/89/31/411158931.db2.gz IUTMWHFGFDPCCS-UHFFFAOYSA-N 1 2 233.359 1.916 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC000653660118 411158935 /nfs/dbraw/zinc/15/89/35/411158935.db2.gz IUTMWHFGFDPCCS-UHFFFAOYSA-N 1 2 233.359 1.916 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000652055999 411101022 /nfs/dbraw/zinc/10/10/22/411101022.db2.gz SSXQJVPSYYJBNV-WZRBSPASSA-N 1 2 235.331 1.449 20 0 BDADLO C[C@@H]1C[C@@H]1C[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000652055999 411101024 /nfs/dbraw/zinc/10/10/24/411101024.db2.gz SSXQJVPSYYJBNV-WZRBSPASSA-N 1 2 235.331 1.449 20 0 BDADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661630463 411107458 /nfs/dbraw/zinc/10/74/58/411107458.db2.gz KPBWCVYKBOKBKX-GDGBQDQQSA-N 1 2 239.319 1.081 20 0 BDADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)no1 ZINC000661630463 411107463 /nfs/dbraw/zinc/10/74/63/411107463.db2.gz KPBWCVYKBOKBKX-GDGBQDQQSA-N 1 2 239.319 1.081 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)[C@H](C)CO1 ZINC000047461841 411121836 /nfs/dbraw/zinc/12/18/36/411121836.db2.gz ZOFFRDNXIRQPCD-GHMZBOCLSA-N 1 2 248.326 1.395 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)[C@H](C)CO1 ZINC000047461841 411121840 /nfs/dbraw/zinc/12/18/40/411121840.db2.gz ZOFFRDNXIRQPCD-GHMZBOCLSA-N 1 2 248.326 1.395 20 0 BDADLO CC(C)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000651569799 411124330 /nfs/dbraw/zinc/12/43/30/411124330.db2.gz NCBGBMZLTRKGCS-LLVKDONJSA-N 1 2 235.331 1.949 20 0 BDADLO Cc1ccc2[nH+]cc(C[NH2+]C[C@H](C)C(=O)[O-])n2c1 ZINC000656095903 411177407 /nfs/dbraw/zinc/17/74/07/411177407.db2.gz RVNZSIWIOQSHEY-JTQLQIEISA-N 1 2 247.298 1.453 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@H](C)Cn1cccn1 ZINC000656108163 411179486 /nfs/dbraw/zinc/17/94/86/411179486.db2.gz SGPRCAMVWMKJSZ-SECBINFHSA-N 1 2 247.302 1.491 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1C[C@H]1C ZINC000656108706 411179677 /nfs/dbraw/zinc/17/96/77/411179677.db2.gz OPXGIAAKGOQTFA-APPZFPTMSA-N 1 2 207.277 1.862 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CCCCO1 ZINC000656111381 411180466 /nfs/dbraw/zinc/18/04/66/411180466.db2.gz AGJWQZYTETVAGM-SNVBAGLBSA-N 1 2 237.303 1.775 20 0 BDADLO COc1ccc[nH+]c1N[C@@H](C)Cn1cncn1 ZINC000657955458 411180548 /nfs/dbraw/zinc/18/05/48/411180548.db2.gz MTWXLCWDNATHIR-VIFPVBQESA-N 1 2 233.275 1.182 20 0 BDADLO COc1c(C)[nH+]cnc1NCCn1cccn1 ZINC000656111273 411180615 /nfs/dbraw/zinc/18/06/15/411180615.db2.gz RZVHJMNEEZENBO-UHFFFAOYSA-N 1 2 233.275 1.102 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1cnn(C)c1 ZINC000656111802 411181907 /nfs/dbraw/zinc/18/19/07/411181907.db2.gz AYQWPCWFVVSEJX-UHFFFAOYSA-N 1 2 217.276 1.439 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](CCF)C2)no1 ZINC000661696928 411182524 /nfs/dbraw/zinc/18/25/24/411182524.db2.gz NOBJOGZGJGMFDU-JTQLQIEISA-N 1 2 227.283 1.950 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](CCF)C2)no1 ZINC000661696928 411182527 /nfs/dbraw/zinc/18/25/27/411182527.db2.gz NOBJOGZGJGMFDU-JTQLQIEISA-N 1 2 227.283 1.950 20 0 BDADLO COC1([C@H](C)[NH2+]CC(F)(F)CO)CCC1 ZINC000657977805 411186860 /nfs/dbraw/zinc/18/68/60/411186860.db2.gz FQRRGDCFCSEKGZ-QMMMGPOBSA-N 1 2 223.263 1.161 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C)[C@H](F)C1 ZINC000656152712 411186906 /nfs/dbraw/zinc/18/69/06/411186906.db2.gz DFJXHOLIOFXCDA-JGVFFNPUSA-N 1 2 240.282 1.252 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C)[C@H](F)C1 ZINC000656152712 411186908 /nfs/dbraw/zinc/18/69/08/411186908.db2.gz DFJXHOLIOFXCDA-JGVFFNPUSA-N 1 2 240.282 1.252 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H]1CCOC1 ZINC000656149905 411187011 /nfs/dbraw/zinc/18/70/11/411187011.db2.gz WLEVPUNJQQWUMM-JTQLQIEISA-N 1 2 249.314 1.872 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CCCOCC1 ZINC000656154213 411188438 /nfs/dbraw/zinc/18/84/38/411188438.db2.gz IHIFIZZHMRHKNH-SNVBAGLBSA-N 1 2 237.303 1.775 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](C)[C@@H](F)C1 ZINC000656153420 411188497 /nfs/dbraw/zinc/18/84/97/411188497.db2.gz QVHMGTRNBWQLAI-WPRPVWTQSA-N 1 2 239.294 1.978 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](O)[C@H](C)C1 ZINC000656164110 411189643 /nfs/dbraw/zinc/18/96/43/411189643.db2.gz CQSRGRVJPBEKMH-MWLCHTKSSA-N 1 2 221.304 1.301 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@H](C(F)F)C1 ZINC000656184871 411195255 /nfs/dbraw/zinc/19/52/55/411195255.db2.gz VWMXBBZUWMTDRN-QMMMGPOBSA-N 1 2 243.257 1.885 20 0 BDADLO COCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830712 411195959 /nfs/dbraw/zinc/19/59/59/411195959.db2.gz GQGLJERBFRQTHK-UHFFFAOYSA-N 1 2 213.227 1.927 20 0 BDADLO C[C@H](CO)[N@H+](C)CC(=O)c1ccccc1F ZINC000124401268 411197942 /nfs/dbraw/zinc/19/79/42/411197942.db2.gz CJWXNMDLOHTAHY-SECBINFHSA-N 1 2 225.263 1.321 20 0 BDADLO C[C@H](CO)[N@@H+](C)CC(=O)c1ccccc1F ZINC000124401268 411197946 /nfs/dbraw/zinc/19/79/46/411197946.db2.gz CJWXNMDLOHTAHY-SECBINFHSA-N 1 2 225.263 1.321 20 0 BDADLO COc1c(C)[nH+]cnc1NCCC(C)(C)CO ZINC000656193398 411198109 /nfs/dbraw/zinc/19/81/09/411198109.db2.gz JYFNJXKSCVKTOY-UHFFFAOYSA-N 1 2 239.319 1.614 20 0 BDADLO CO[C@](C)(CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000656206070 411208482 /nfs/dbraw/zinc/20/84/82/411208482.db2.gz NPLXZLWOKMDYFW-LBPRGKRZSA-N 1 2 237.303 1.163 20 0 BDADLO Cc1c[nH+]c(C)nc1NCCN1CCCC1=O ZINC000656204363 411208761 /nfs/dbraw/zinc/20/87/61/411208761.db2.gz UUOTWLQWJDADGU-UHFFFAOYSA-N 1 2 234.303 1.128 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1nc(C)no1)C1CC1 ZINC000653888385 411209704 /nfs/dbraw/zinc/20/97/04/411209704.db2.gz QDLZEDCAFFNXGC-JTQLQIEISA-N 1 2 225.292 1.235 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1nc(C)no1)C1CC1 ZINC000653888385 411209707 /nfs/dbraw/zinc/20/97/07/411209707.db2.gz QDLZEDCAFFNXGC-JTQLQIEISA-N 1 2 225.292 1.235 20 0 BDADLO C[C@H](O)C[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000653896207 411213642 /nfs/dbraw/zinc/21/36/42/411213642.db2.gz NORJMSFIFBZBCN-QMMMGPOBSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000653896207 411213645 /nfs/dbraw/zinc/21/36/45/411213645.db2.gz NORJMSFIFBZBCN-QMMMGPOBSA-N 1 2 237.303 1.292 20 0 BDADLO CCn1ccnc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000653898740 411216516 /nfs/dbraw/zinc/21/65/16/411216516.db2.gz PLUNNRSNYONXSJ-JTQLQIEISA-N 1 2 223.320 1.248 20 0 BDADLO CCn1ccnc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653898740 411216518 /nfs/dbraw/zinc/21/65/18/411216518.db2.gz PLUNNRSNYONXSJ-JTQLQIEISA-N 1 2 223.320 1.248 20 0 BDADLO COc1cccc(C[NH+]2CC3(CC3(F)F)C2)n1 ZINC000656265519 411219981 /nfs/dbraw/zinc/21/99/81/411219981.db2.gz QWYLZDXGNRQGHP-UHFFFAOYSA-N 1 2 240.253 1.931 20 0 BDADLO FC1(F)CC12C[NH+](Cc1cncs1)C2 ZINC000656265536 411221749 /nfs/dbraw/zinc/22/17/49/411221749.db2.gz BKEUJAWEFJINTJ-UHFFFAOYSA-N 1 2 216.256 1.984 20 0 BDADLO Cc1[nH]ccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652411659 411233350 /nfs/dbraw/zinc/23/33/50/411233350.db2.gz APALSQTVFTYAJN-UHFFFAOYSA-N 1 2 232.287 1.711 20 0 BDADLO CC(C)(C)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000656454498 411262954 /nfs/dbraw/zinc/26/29/54/411262954.db2.gz WPLMHMMIOUMGIE-UHFFFAOYSA-N 1 2 219.292 1.569 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)no1 ZINC000659840159 411327263 /nfs/dbraw/zinc/32/72/63/411327263.db2.gz BRTILQZIOFITAB-ZJUUUORDSA-N 1 2 240.303 1.683 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)no1 ZINC000659840159 411327265 /nfs/dbraw/zinc/32/72/65/411327265.db2.gz BRTILQZIOFITAB-ZJUUUORDSA-N 1 2 240.303 1.683 20 0 BDADLO COC(C)(C)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458681 411267532 /nfs/dbraw/zinc/26/75/32/411267532.db2.gz DPDMFXBBJORALL-UHFFFAOYSA-N 1 2 248.286 1.036 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655714361 411268046 /nfs/dbraw/zinc/26/80/46/411268046.db2.gz BPFVHMGMUFLHNJ-UHFFFAOYSA-N 1 2 245.330 1.541 20 0 BDADLO CC[C@H]1CC[C@@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156918 411270205 /nfs/dbraw/zinc/27/02/05/411270205.db2.gz MXYAHFKGWKSDIC-IUCAKERBSA-N 1 2 224.308 1.229 20 0 BDADLO CCc1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000070646324 411271847 /nfs/dbraw/zinc/27/18/47/411271847.db2.gz RYMGNXZBYAOANB-UHFFFAOYSA-N 1 2 205.261 1.855 20 0 BDADLO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658159060 411272186 /nfs/dbraw/zinc/27/21/86/411272186.db2.gz NBISZHZZKZYUMB-ZJUUUORDSA-N 1 2 238.335 1.619 20 0 BDADLO C[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000656534160 411289966 /nfs/dbraw/zinc/28/99/66/411289966.db2.gz FDHHHPACXUTRMH-BWZBUEFSSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000656534160 411289969 /nfs/dbraw/zinc/28/99/69/411289969.db2.gz FDHHHPACXUTRMH-BWZBUEFSSA-N 1 2 227.226 1.019 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000656534304 411290462 /nfs/dbraw/zinc/29/04/62/411290462.db2.gz CRCBHFJXOQRCKH-RYUDHWBXSA-N 1 2 248.330 1.467 20 0 BDADLO CC[C@@H](C)N(CC)C(=O)NCCn1cc[nH+]c1 ZINC000656537342 411290872 /nfs/dbraw/zinc/29/08/72/411290872.db2.gz DNGXBJURDVYAKV-LLVKDONJSA-N 1 2 238.335 1.713 20 0 BDADLO COCc1cc(C[NH+]2CC(C(C)C)C2)no1 ZINC000656582253 411304085 /nfs/dbraw/zinc/30/40/85/411304085.db2.gz CQWMIBVLIAEBJX-UHFFFAOYSA-N 1 2 224.304 1.909 20 0 BDADLO COc1cc(C[N@H+](C)Cc2cnn(C)c2)on1 ZINC000659818341 411304999 /nfs/dbraw/zinc/30/49/99/411304999.db2.gz WJSXLIALIDYFDF-UHFFFAOYSA-N 1 2 236.275 1.049 20 0 BDADLO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)on1 ZINC000659818341 411305000 /nfs/dbraw/zinc/30/50/00/411305000.db2.gz WJSXLIALIDYFDF-UHFFFAOYSA-N 1 2 236.275 1.049 20 0 BDADLO CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)ccc1O ZINC000656630400 411310970 /nfs/dbraw/zinc/31/09/70/411310970.db2.gz IUQYSOONYZSMNV-WCQYABFASA-N 1 2 249.310 1.764 20 0 BDADLO CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)ccc1O ZINC000656630400 411310974 /nfs/dbraw/zinc/31/09/74/411310974.db2.gz IUQYSOONYZSMNV-WCQYABFASA-N 1 2 249.310 1.764 20 0 BDADLO OC1([C@H]2CCCC[N@@H+]2CC(F)F)CC1 ZINC000656693855 411331783 /nfs/dbraw/zinc/33/17/83/411331783.db2.gz GIVHBPDDRPPSSW-MRVPVSSYSA-N 1 2 205.248 1.631 20 0 BDADLO OC1([C@H]2CCCC[N@H+]2CC(F)F)CC1 ZINC000656693855 411331784 /nfs/dbraw/zinc/33/17/84/411331784.db2.gz GIVHBPDDRPPSSW-MRVPVSSYSA-N 1 2 205.248 1.631 20 0 BDADLO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000336711184 411332210 /nfs/dbraw/zinc/33/22/10/411332210.db2.gz PMWOIWQGHVETBG-BDAKNGLRSA-N 1 2 239.319 1.975 20 0 BDADLO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000336711184 411332213 /nfs/dbraw/zinc/33/22/13/411332213.db2.gz PMWOIWQGHVETBG-BDAKNGLRSA-N 1 2 239.319 1.975 20 0 BDADLO c1c([C@H]2COCC[NH2+]2)nnn1C1CCCCC1 ZINC000656438311 411248637 /nfs/dbraw/zinc/24/86/37/411248637.db2.gz UYXGYUNTUXHZQS-GFCCVEGCSA-N 1 2 236.319 1.444 20 0 BDADLO Cc1nnsc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655770324 411252658 /nfs/dbraw/zinc/25/26/58/411252658.db2.gz HEFAENMFQXIBAF-VIFPVBQESA-N 1 2 249.343 1.668 20 0 BDADLO CCc1ccc(CN(C)Cc2[nH]cc[nH+]2)nc1 ZINC000660142394 411257613 /nfs/dbraw/zinc/25/76/13/411257613.db2.gz WPKKRNLWPZOYIN-UHFFFAOYSA-N 1 2 230.315 1.999 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660142906 411257916 /nfs/dbraw/zinc/25/79/16/411257916.db2.gz HEOAKUURGSRJQR-SNVBAGLBSA-N 1 2 238.335 1.097 20 0 BDADLO CC(C)CC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 ZINC000660142828 411258181 /nfs/dbraw/zinc/25/81/81/411258181.db2.gz MAZIWHJNQXIAFQ-NSHDSACASA-N 1 2 225.336 1.639 20 0 BDADLO CC(C)CC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 ZINC000660142828 411258184 /nfs/dbraw/zinc/25/81/84/411258184.db2.gz MAZIWHJNQXIAFQ-NSHDSACASA-N 1 2 225.336 1.639 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000403745936 411357917 /nfs/dbraw/zinc/35/79/17/411357917.db2.gz UWOXSXILWARXJP-WDEREUQCSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@@H](C)CO1 ZINC000403745936 411357923 /nfs/dbraw/zinc/35/79/23/411357923.db2.gz UWOXSXILWARXJP-WDEREUQCSA-N 1 2 239.315 1.771 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](OC)C2)[nH]1 ZINC000659874690 411358919 /nfs/dbraw/zinc/35/89/19/411358919.db2.gz GPRCPPSDXWYGEJ-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](OC)C2)[nH]1 ZINC000659874690 411358921 /nfs/dbraw/zinc/35/89/21/411358921.db2.gz GPRCPPSDXWYGEJ-VHSXEESVSA-N 1 2 238.335 1.539 20 0 BDADLO C[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1[nH+]ccn1C ZINC000662090926 411360880 /nfs/dbraw/zinc/36/08/80/411360880.db2.gz IDVIFXTZFZCBOI-MMWGEVLESA-N 1 2 248.330 1.579 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661967739 411336379 /nfs/dbraw/zinc/33/63/79/411336379.db2.gz FLYRYMPOANABBF-RKDXNWHRSA-N 1 2 223.276 1.058 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000661967739 411336382 /nfs/dbraw/zinc/33/63/82/411336382.db2.gz FLYRYMPOANABBF-RKDXNWHRSA-N 1 2 223.276 1.058 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](C)CCOC)[nH]1 ZINC000659849172 411340621 /nfs/dbraw/zinc/34/06/21/411340621.db2.gz MJFPHMWWRHCKEO-QMMMGPOBSA-N 1 2 212.297 1.006 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](C)CCOC)[nH]1 ZINC000659849172 411340625 /nfs/dbraw/zinc/34/06/25/411340625.db2.gz MJFPHMWWRHCKEO-QMMMGPOBSA-N 1 2 212.297 1.006 20 0 BDADLO COCc1noc(Cc2c[nH+]ccc2C)n1 ZINC000656748515 411342794 /nfs/dbraw/zinc/34/27/94/411342794.db2.gz SFOWZGRAXKSFLO-UHFFFAOYSA-N 1 2 219.244 1.510 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660593294 411344866 /nfs/dbraw/zinc/34/48/66/411344866.db2.gz HQRMBCLWKAMQRY-MWLCHTKSSA-N 1 2 236.319 1.740 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660593294 411344870 /nfs/dbraw/zinc/34/48/70/411344870.db2.gz HQRMBCLWKAMQRY-MWLCHTKSSA-N 1 2 236.319 1.740 20 0 BDADLO Cc1nccc(C[N@@H+]2CCC(=O)CC23CCC3)n1 ZINC000653764955 411345845 /nfs/dbraw/zinc/34/58/45/411345845.db2.gz LUDIFPJSZNUXJR-UHFFFAOYSA-N 1 2 245.326 1.873 20 0 BDADLO Cc1nccc(C[N@H+]2CCC(=O)CC23CCC3)n1 ZINC000653764955 411345847 /nfs/dbraw/zinc/34/58/47/411345847.db2.gz LUDIFPJSZNUXJR-UHFFFAOYSA-N 1 2 245.326 1.873 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000658339473 411346113 /nfs/dbraw/zinc/34/61/13/411346113.db2.gz SIEXHRXLECGONV-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CC1(CNc2cccc(-n3cc[nH+]c3)n2)COC1 ZINC000376816497 168027786 /nfs/dbraw/zinc/02/77/86/168027786.db2.gz RIRZMGUYNBIUHE-UHFFFAOYSA-N 1 2 244.298 1.138 20 0 BDADLO CC1(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000357782228 168032507 /nfs/dbraw/zinc/03/25/07/168032507.db2.gz VNIHTAOYEHSVCK-UHFFFAOYSA-N 1 2 236.319 1.373 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C)C1 ZINC000654368053 411378218 /nfs/dbraw/zinc/37/82/18/411378218.db2.gz YGLFWWAXKAGCFY-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C)C1 ZINC000654368053 411378220 /nfs/dbraw/zinc/37/82/20/411378220.db2.gz YGLFWWAXKAGCFY-GHMZBOCLSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC(C)=C(C)C2)n1C ZINC000280823608 168085024 /nfs/dbraw/zinc/08/50/24/168085024.db2.gz VBLSISIUMUOUHK-UHFFFAOYSA-N 1 2 220.320 1.666 20 0 BDADLO Cc1nnc(C[N@H+]2CCC(C)=C(C)C2)n1C ZINC000280823608 168085027 /nfs/dbraw/zinc/08/50/27/168085027.db2.gz VBLSISIUMUOUHK-UHFFFAOYSA-N 1 2 220.320 1.666 20 0 BDADLO CC1=CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000270086678 168105434 /nfs/dbraw/zinc/10/54/34/168105434.db2.gz AAGSBEXYGWMWSS-UHFFFAOYSA-N 1 2 234.303 1.282 20 0 BDADLO CC1=CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000270094999 168105533 /nfs/dbraw/zinc/10/55/33/168105533.db2.gz LERQLFSSXZENLU-UHFFFAOYSA-N 1 2 219.288 1.452 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC=C(C)CC2)n(C)n1 ZINC000270336848 168109808 /nfs/dbraw/zinc/10/98/08/168109808.db2.gz MVKIHUOOIKIMMY-UHFFFAOYSA-N 1 2 248.330 1.319 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC=C(C)CC2)n(C)n1 ZINC000270336848 168109810 /nfs/dbraw/zinc/10/98/10/168109810.db2.gz MVKIHUOOIKIMMY-UHFFFAOYSA-N 1 2 248.330 1.319 20 0 BDADLO CC1=CC[N@H+](Cc2nc(N(C)C)no2)CC1 ZINC000281420642 168114951 /nfs/dbraw/zinc/11/49/51/168114951.db2.gz BQXRJJSCVBPDMU-UHFFFAOYSA-N 1 2 222.292 1.288 20 0 BDADLO CC1=CC[N@@H+](Cc2nc(N(C)C)no2)CC1 ZINC000281420642 168114954 /nfs/dbraw/zinc/11/49/54/168114954.db2.gz BQXRJJSCVBPDMU-UHFFFAOYSA-N 1 2 222.292 1.288 20 0 BDADLO CC1CCC(NC(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000336259739 168161026 /nfs/dbraw/zinc/16/10/26/168161026.db2.gz QRWGAVGWERKESJ-MOENNCHZSA-N 1 2 242.338 1.725 20 0 BDADLO CC1CCC(NC(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000336259739 168161027 /nfs/dbraw/zinc/16/10/27/168161027.db2.gz QRWGAVGWERKESJ-MOENNCHZSA-N 1 2 242.338 1.725 20 0 BDADLO CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000125290380 168170660 /nfs/dbraw/zinc/17/06/60/168170660.db2.gz GLADZMMTJKDTJX-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000376692993 168174584 /nfs/dbraw/zinc/17/45/84/168174584.db2.gz CUNCMYRYAVJJII-GFCCVEGCSA-N 1 2 247.342 1.704 20 0 BDADLO CCC(=O)N1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000335114880 168221334 /nfs/dbraw/zinc/22/13/34/168221334.db2.gz HUOUMQRBJBDIQF-NSHDSACASA-N 1 2 240.347 1.456 20 0 BDADLO CCC(=O)N1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000335114880 168221337 /nfs/dbraw/zinc/22/13/37/168221337.db2.gz HUOUMQRBJBDIQF-NSHDSACASA-N 1 2 240.347 1.456 20 0 BDADLO CCC(=O)N1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000268563330 168225931 /nfs/dbraw/zinc/22/59/31/168225931.db2.gz OWKVSIQXQCWQLN-JTQLQIEISA-N 1 2 219.288 1.504 20 0 BDADLO CCC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000408241666 168240063 /nfs/dbraw/zinc/24/00/63/168240063.db2.gz ZDYVXFVKLVGDJT-NSHDSACASA-N 1 2 248.330 1.280 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2C)c[nH+]1 ZINC000654383752 411384512 /nfs/dbraw/zinc/38/45/12/411384512.db2.gz BXHPNZMVZJURQK-SKDRFNHKSA-N 1 2 218.300 1.971 20 0 BDADLO CCC(C)(C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000331088398 168274094 /nfs/dbraw/zinc/27/40/94/168274094.db2.gz RVLOFZFIVAUZTC-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CCC(C)(C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000331088398 168274096 /nfs/dbraw/zinc/27/40/96/168274096.db2.gz RVLOFZFIVAUZTC-UHFFFAOYSA-N 1 2 209.293 1.852 20 0 BDADLO CCC(C)(C)NC(=O)NCc1[nH+]ccn1C ZINC000268118305 168292953 /nfs/dbraw/zinc/29/29/53/168292953.db2.gz CATGYGSFJLVWSE-UHFFFAOYSA-N 1 2 224.308 1.408 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654454966 411399201 /nfs/dbraw/zinc/39/92/01/411399201.db2.gz SFUMGKGJWIZXMT-SECBINFHSA-N 1 2 209.293 1.455 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654454966 411399202 /nfs/dbraw/zinc/39/92/02/411399202.db2.gz SFUMGKGJWIZXMT-SECBINFHSA-N 1 2 209.293 1.455 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)CCO1 ZINC000659813304 411461153 /nfs/dbraw/zinc/46/11/53/411461153.db2.gz XDFOEUYVHQBCKV-SECBINFHSA-N 1 2 222.288 1.773 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)CCO1 ZINC000659813304 411461157 /nfs/dbraw/zinc/46/11/57/411461157.db2.gz XDFOEUYVHQBCKV-SECBINFHSA-N 1 2 222.288 1.773 20 0 BDADLO CC(C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654470260 411401278 /nfs/dbraw/zinc/40/12/78/411401278.db2.gz CONYEBUEILRJOJ-SNVBAGLBSA-N 1 2 223.320 1.703 20 0 BDADLO CC(C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654470260 411401281 /nfs/dbraw/zinc/40/12/81/411401281.db2.gz CONYEBUEILRJOJ-SNVBAGLBSA-N 1 2 223.320 1.703 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654470259 411401625 /nfs/dbraw/zinc/40/16/25/411401625.db2.gz CONYEBUEILRJOJ-JTQLQIEISA-N 1 2 223.320 1.703 20 0 BDADLO CC(C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654470259 411401628 /nfs/dbraw/zinc/40/16/28/411401628.db2.gz CONYEBUEILRJOJ-JTQLQIEISA-N 1 2 223.320 1.703 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nncs1 ZINC000654541381 411409992 /nfs/dbraw/zinc/40/99/92/411409992.db2.gz JPBNLWUPOKWQFF-LURJTMIESA-N 1 2 237.288 1.079 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nncs1 ZINC000654541381 411409996 /nfs/dbraw/zinc/40/99/96/411409996.db2.gz JPBNLWUPOKWQFF-LURJTMIESA-N 1 2 237.288 1.079 20 0 BDADLO Cc1[nH]ccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000267374709 411421003 /nfs/dbraw/zinc/42/10/03/411421003.db2.gz QQUAIIZJVLMKOY-VIFPVBQESA-N 1 2 232.287 1.338 20 0 BDADLO CC[N@@H+](Cc1nnn(C(C)(C)C)n1)CC1CC1 ZINC000653555828 411421092 /nfs/dbraw/zinc/42/10/92/411421092.db2.gz ZCMYNMCEXQFEHK-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO CC[N@H+](Cc1nnn(C(C)(C)C)n1)CC1CC1 ZINC000653555828 411421097 /nfs/dbraw/zinc/42/10/97/411421097.db2.gz ZCMYNMCEXQFEHK-UHFFFAOYSA-N 1 2 237.351 1.660 20 0 BDADLO c1c[nH+]c(COCc2cc(C3CC3)no2)[nH]1 ZINC000657256467 411430277 /nfs/dbraw/zinc/43/02/77/411430277.db2.gz YQRRZFWYGXWLTN-UHFFFAOYSA-N 1 2 219.244 1.992 20 0 BDADLO c1csc(C[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC000657317759 411462920 /nfs/dbraw/zinc/46/29/20/411462920.db2.gz FGQGNWXYMLOFKA-UHFFFAOYSA-N 1 2 234.328 1.576 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000654702504 411432693 /nfs/dbraw/zinc/43/26/93/411432693.db2.gz RGUIOQQLEHJQCL-CBAPKCEASA-N 1 2 239.344 1.799 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC2)CC1 ZINC000654767027 411441479 /nfs/dbraw/zinc/44/14/79/411441479.db2.gz JYSRTYFQEGHCPH-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC2)CC1 ZINC000654767027 411441480 /nfs/dbraw/zinc/44/14/80/411441480.db2.gz JYSRTYFQEGHCPH-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@@H](C)c1nnc([C@H](C)NCc2[nH]cc[nH+]2)[nH]1 ZINC000277062589 411443634 /nfs/dbraw/zinc/44/36/34/411443634.db2.gz BXMJPBSQUNOUPF-BDAKNGLRSA-N 1 2 248.334 1.892 20 0 BDADLO CC(C)(C)n1nnc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000653625537 411450513 /nfs/dbraw/zinc/45/05/13/411450513.db2.gz IJFRTJHEODNGQJ-QWRGUYRKSA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)(C)n1nnc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000653625537 411450518 /nfs/dbraw/zinc/45/05/18/411450518.db2.gz IJFRTJHEODNGQJ-QWRGUYRKSA-N 1 2 249.362 1.803 20 0 BDADLO CC(C)=CCNC(=O)CCc1c[nH+]cn1C ZINC000281833451 411453993 /nfs/dbraw/zinc/45/39/93/411453993.db2.gz MBVWIMOMVWUPRX-UHFFFAOYSA-N 1 2 221.304 1.435 20 0 BDADLO CC(C)n1cc[nH+]c1CNCc1cc[nH]n1 ZINC000657354617 411473873 /nfs/dbraw/zinc/47/38/73/411473873.db2.gz UDMZAMLWONVCJG-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc3n(n2)CCC3)on1 ZINC000657347643 411475285 /nfs/dbraw/zinc/47/52/85/411475285.db2.gz DRIOMPUZVDXDRK-UHFFFAOYSA-N 1 2 232.287 1.416 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000655010498 411475562 /nfs/dbraw/zinc/47/55/62/411475562.db2.gz ACRHMULRRMSNRI-WZRBSPASSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000655010498 411475568 /nfs/dbraw/zinc/47/55/68/411475568.db2.gz ACRHMULRRMSNRI-WZRBSPASSA-N 1 2 247.342 1.989 20 0 BDADLO Cc1cc(C[NH2+]Cc2nccn2C(C)C)[nH]n1 ZINC000657368038 411480665 /nfs/dbraw/zinc/48/06/65/411480665.db2.gz MNVNTJAAPLRXFJ-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO CO[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000297928290 411483189 /nfs/dbraw/zinc/48/31/89/411483189.db2.gz YHJAMIBSLXFJRB-LBPRGKRZSA-N 1 2 245.282 1.698 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(N)c1 ZINC000297935574 411483293 /nfs/dbraw/zinc/48/32/93/411483293.db2.gz RORCPDLGLKZLFJ-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccnc(N)c1 ZINC000297935574 411483296 /nfs/dbraw/zinc/48/32/96/411483296.db2.gz RORCPDLGLKZLFJ-LLVKDONJSA-N 1 2 249.314 1.191 20 0 BDADLO CO[C@H](C[N@H+](C)CC(F)F)[C@@H]1CCOC1 ZINC000659879834 411488066 /nfs/dbraw/zinc/48/80/66/411488066.db2.gz XOZJYBDBVJWJBI-RKDXNWHRSA-N 1 2 223.263 1.235 20 0 BDADLO CO[C@H](C[N@@H+](C)CC(F)F)[C@@H]1CCOC1 ZINC000659879834 411488068 /nfs/dbraw/zinc/48/80/68/411488068.db2.gz XOZJYBDBVJWJBI-RKDXNWHRSA-N 1 2 223.263 1.235 20 0 BDADLO CO[C@H](C[N@H+](C)CC(F)F)[C@H]1CCOC1 ZINC000659879826 411488356 /nfs/dbraw/zinc/48/83/56/411488356.db2.gz XOZJYBDBVJWJBI-DTWKUNHWSA-N 1 2 223.263 1.235 20 0 BDADLO CO[C@H](C[N@@H+](C)CC(F)F)[C@H]1CCOC1 ZINC000659879826 411488358 /nfs/dbraw/zinc/48/83/58/411488358.db2.gz XOZJYBDBVJWJBI-DTWKUNHWSA-N 1 2 223.263 1.235 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000655080322 411491277 /nfs/dbraw/zinc/49/12/77/411491277.db2.gz DBPNWVNTHCIQKD-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1nc(C[NH2+][C@](C)(CO)c2ccccc2)co1 ZINC000659910775 411495816 /nfs/dbraw/zinc/49/58/16/411495816.db2.gz NILRTNMMQHIKGJ-CQSZACIVSA-N 1 2 246.310 1.980 20 0 BDADLO Cc1ncsc1CN(C)Cc1cn(C)c[nH+]1 ZINC000659912932 411496884 /nfs/dbraw/zinc/49/68/84/411496884.db2.gz QKVHDOFYWQNSHO-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncsc1C[N@@H+](C)Cc1cn(C)cn1 ZINC000659912932 411496885 /nfs/dbraw/zinc/49/68/85/411496885.db2.gz QKVHDOFYWQNSHO-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncsc1C[N@H+](C)Cc1cn(C)cn1 ZINC000659912932 411496888 /nfs/dbraw/zinc/49/68/88/411496888.db2.gz QKVHDOFYWQNSHO-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1c[nH]c(CNCc2ncccc2F)[nH+]1 ZINC000657413885 411499602 /nfs/dbraw/zinc/49/96/02/411499602.db2.gz HGXQVIKQOWZMLE-UHFFFAOYSA-N 1 2 220.251 1.542 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](F)C1 ZINC000655127178 411500905 /nfs/dbraw/zinc/50/09/05/411500905.db2.gz WHIMMTYTNZUPDD-IUCAKERBSA-N 1 2 225.267 1.159 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](F)C1 ZINC000655127178 411500908 /nfs/dbraw/zinc/50/09/08/411500908.db2.gz WHIMMTYTNZUPDD-IUCAKERBSA-N 1 2 225.267 1.159 20 0 BDADLO COc1ccc[nH+]c1NCc1cnn2c1CCC2 ZINC000657420912 411501574 /nfs/dbraw/zinc/50/15/74/411501574.db2.gz HRBUXSIEBROTPM-UHFFFAOYSA-N 1 2 244.298 1.845 20 0 BDADLO CCc1[nH]nc(NC(=O)Cn2cc[nH+]c2)c1C ZINC000655148836 411505413 /nfs/dbraw/zinc/50/54/13/411505413.db2.gz GTJANFGSDQDVAU-UHFFFAOYSA-N 1 2 233.275 1.116 20 0 BDADLO C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1CC1 ZINC000655799468 411517353 /nfs/dbraw/zinc/51/73/53/411517353.db2.gz GKDTXIHIQGXTFG-SCZZXKLOSA-N 1 2 236.319 1.544 20 0 BDADLO CC[C@H]1C[C@H]([NH2+]C2(C(F)F)CC2)CO1 ZINC000657462268 411518110 /nfs/dbraw/zinc/51/81/10/411518110.db2.gz RTMWCCXAHIUOBC-YUMQZZPRSA-N 1 2 205.248 1.941 20 0 BDADLO FC(F)C[NH2+]Cc1cnn2c1CCC2 ZINC000657463447 411518886 /nfs/dbraw/zinc/51/88/86/411518886.db2.gz BZVRRQJKEGAENV-UHFFFAOYSA-N 1 2 201.220 1.184 20 0 BDADLO C[C@H](CF)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657466106 411519082 /nfs/dbraw/zinc/51/90/82/411519082.db2.gz APFAXXQWWZXGNL-MRVPVSSYSA-N 1 2 212.272 1.451 20 0 BDADLO CC(C)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655818743 411525304 /nfs/dbraw/zinc/52/53/04/411525304.db2.gz HOMRJXWEUPMYMS-SECBINFHSA-N 1 2 224.308 1.402 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)nc(C)n1 ZINC000660013340 411528507 /nfs/dbraw/zinc/52/85/07/411528507.db2.gz WMZCVDGGQBRDLJ-GHMZBOCLSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)nc(C)n1 ZINC000660013340 411528508 /nfs/dbraw/zinc/52/85/08/411528508.db2.gz WMZCVDGGQBRDLJ-GHMZBOCLSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ccoc2C)n1 ZINC000657325295 411464804 /nfs/dbraw/zinc/46/48/04/411464804.db2.gz CTOFPPCOPGDOPJ-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1nc(C[N@H+]2CCCOC[C@@H]2C)co1 ZINC000660114664 411538571 /nfs/dbraw/zinc/53/85/71/411538571.db2.gz YJOIYXYMSFLYTH-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO Cc1nc(C[N@@H+]2CCCOC[C@@H]2C)co1 ZINC000660114664 411538573 /nfs/dbraw/zinc/53/85/73/411538573.db2.gz YJOIYXYMSFLYTH-VIFPVBQESA-N 1 2 210.277 1.594 20 0 BDADLO CC[N@@H+]1C[C@H]([NH2+]CCc2ncc(C)cn2)[C@@H](C)C1 ZINC000340103482 170036279 /nfs/dbraw/zinc/03/62/79/170036279.db2.gz IMXMCAGRPZKQJO-STQMWFEESA-N 1 2 248.374 1.257 20 0 BDADLO CCC[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000660132273 411542778 /nfs/dbraw/zinc/54/27/78/411542778.db2.gz HZXIUBGUJXBODF-WDEREUQCSA-N 1 2 249.301 1.912 20 0 BDADLO CCC[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCO1 ZINC000660132273 411542779 /nfs/dbraw/zinc/54/27/79/411542779.db2.gz HZXIUBGUJXBODF-WDEREUQCSA-N 1 2 249.301 1.912 20 0 BDADLO CCNC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273052286 170061173 /nfs/dbraw/zinc/06/11/73/170061173.db2.gz YRJNSECQKAUBLB-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273052286 170061174 /nfs/dbraw/zinc/06/11/74/170061174.db2.gz YRJNSECQKAUBLB-NSHDSACASA-N 1 2 248.326 1.406 20 0 BDADLO CCNC(=O)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000302037881 170066246 /nfs/dbraw/zinc/06/62/46/170066246.db2.gz VJURTZJHLXFLJX-UHFFFAOYSA-N 1 2 236.319 1.322 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000035136329 170088105 /nfs/dbraw/zinc/08/81/05/170088105.db2.gz YFGMIPFWTHPOKX-SSDOTTSWSA-N 1 2 227.333 1.066 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000289971634 170094837 /nfs/dbraw/zinc/09/48/37/170094837.db2.gz XJWPOTIXTJUTQY-IUCAKERBSA-N 1 2 225.292 1.158 20 0 BDADLO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2csnn2)CO1 ZINC000657497350 411537475 /nfs/dbraw/zinc/53/74/75/411537475.db2.gz WABDXYHLRQHWPF-XHNCKOQMSA-N 1 2 227.333 1.756 20 0 BDADLO Cc1ccc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000255425961 322928772 /nfs/dbraw/zinc/92/87/72/322928772.db2.gz ZARRSDTXCNETJS-PLNGDYQASA-N 1 2 245.282 1.683 20 0 BDADLO CC[C@H](COCC1CC1)[NH2+]Cc1ccn[nH]1 ZINC000657563101 411552170 /nfs/dbraw/zinc/55/21/70/411552170.db2.gz ZSPSYGHZPYZSQF-LLVKDONJSA-N 1 2 223.320 1.705 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)c2ncnn21 ZINC000657567595 411552841 /nfs/dbraw/zinc/55/28/41/411552841.db2.gz CJYOKAKZAFOIMM-KOLCDFICSA-N 1 2 231.303 1.412 20 0 BDADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)c2ncnn21 ZINC000657567527 411553256 /nfs/dbraw/zinc/55/32/56/411553256.db2.gz SNCURAGJUYERCQ-BXKDBHETSA-N 1 2 244.298 1.779 20 0 BDADLO Cc1cnccc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657568758 411553603 /nfs/dbraw/zinc/55/36/03/411553603.db2.gz JITXRZQYMUGNRO-PWSUYJOCSA-N 1 2 243.314 1.777 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CCCC1 ZINC000660207090 411554091 /nfs/dbraw/zinc/55/40/91/411554091.db2.gz WFFFBSKAFPMRNC-UHFFFAOYSA-N 1 2 222.292 1.494 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CCCC1 ZINC000660207090 411554093 /nfs/dbraw/zinc/55/40/93/411554093.db2.gz WFFFBSKAFPMRNC-UHFFFAOYSA-N 1 2 222.292 1.494 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC000660214382 411554317 /nfs/dbraw/zinc/55/43/17/411554317.db2.gz GVUAPXZZAMFGEW-JGPRNRPPSA-N 1 2 221.304 1.856 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC000660214382 411554319 /nfs/dbraw/zinc/55/43/19/411554319.db2.gz GVUAPXZZAMFGEW-JGPRNRPPSA-N 1 2 221.304 1.856 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)nc(C)n1 ZINC000660222108 411556316 /nfs/dbraw/zinc/55/63/16/411556316.db2.gz TUBHABKMWFUWPO-CQSZACIVSA-N 1 2 249.358 1.950 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)nc(C)n1 ZINC000660222108 411556317 /nfs/dbraw/zinc/55/63/17/411556317.db2.gz TUBHABKMWFUWPO-CQSZACIVSA-N 1 2 249.358 1.950 20 0 BDADLO CCOC(=O)CCCNc1cc[nH+]c(C)n1 ZINC000081546287 170202743 /nfs/dbraw/zinc/20/27/43/170202743.db2.gz XAUPHMDWARBPDU-UHFFFAOYSA-N 1 2 223.276 1.540 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc(CO)cc1 ZINC000163426532 170215181 /nfs/dbraw/zinc/21/51/81/170215181.db2.gz UBARGCPBPWTSAQ-UHFFFAOYSA-N 1 2 237.299 1.174 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc(CO)cc1 ZINC000163426532 170215182 /nfs/dbraw/zinc/21/51/82/170215182.db2.gz UBARGCPBPWTSAQ-UHFFFAOYSA-N 1 2 237.299 1.174 20 0 BDADLO CCOC(=O)C[N@H+](C)CCOc1ccccc1 ZINC000048776517 170215313 /nfs/dbraw/zinc/21/53/13/170215313.db2.gz JFMUCQOWFZPQRP-UHFFFAOYSA-N 1 2 237.299 1.560 20 0 BDADLO CCOC(=O)C[N@@H+](C)CCOc1ccccc1 ZINC000048776517 170215315 /nfs/dbraw/zinc/21/53/15/170215315.db2.gz JFMUCQOWFZPQRP-UHFFFAOYSA-N 1 2 237.299 1.560 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374804746 170220238 /nfs/dbraw/zinc/22/02/38/170220238.db2.gz DEUHVOIOHXJGSA-CYBMUJFWSA-N 1 2 249.310 1.489 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374804746 170220240 /nfs/dbraw/zinc/22/02/40/170220240.db2.gz DEUHVOIOHXJGSA-CYBMUJFWSA-N 1 2 249.310 1.489 20 0 BDADLO CCOC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000130947100 170221073 /nfs/dbraw/zinc/22/10/73/170221073.db2.gz MDOOTYWUQWYXQT-CYBMUJFWSA-N 1 2 249.310 1.141 20 0 BDADLO CCOC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000130947100 170221074 /nfs/dbraw/zinc/22/10/74/170221074.db2.gz MDOOTYWUQWYXQT-CYBMUJFWSA-N 1 2 249.310 1.141 20 0 BDADLO CCOC(=O)C[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000165871217 170234123 /nfs/dbraw/zinc/23/41/23/170234123.db2.gz CYDHZDGZJFRGQZ-LLVKDONJSA-N 1 2 249.314 1.707 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CC[C@@H](C)C2)[nH]1 ZINC000657607062 411561108 /nfs/dbraw/zinc/56/11/08/411561108.db2.gz AFLXGTHYHUVQIW-BDAKNGLRSA-N 1 2 224.308 1.229 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000043638520 170265616 /nfs/dbraw/zinc/26/56/16/170265616.db2.gz ZKPUJYYBFAHNKU-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000043638520 170265618 /nfs/dbraw/zinc/26/56/18/170265618.db2.gz ZKPUJYYBFAHNKU-NSHDSACASA-N 1 2 236.315 1.508 20 0 BDADLO CCOC(=O)[C@H](CC)[N@@H+]1CCc2ncccc2C1 ZINC000367846768 170271160 /nfs/dbraw/zinc/27/11/60/170271160.db2.gz CLOBCUDOBYNAMP-ZDUSSCGKSA-N 1 2 248.326 1.781 20 0 BDADLO CCOC(=O)[C@H](CC)[N@H+]1CCc2ncccc2C1 ZINC000367846768 170271162 /nfs/dbraw/zinc/27/11/62/170271162.db2.gz CLOBCUDOBYNAMP-ZDUSSCGKSA-N 1 2 248.326 1.781 20 0 BDADLO CCOC(=O)[C@H](CC)N(C)Cc1[nH+]ccn1C ZINC000084120915 170271211 /nfs/dbraw/zinc/27/12/11/170271211.db2.gz CZSFIPCXPJPLJP-JTQLQIEISA-N 1 2 239.319 1.194 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC[C@H]2C)[nH]1 ZINC000657607768 411562034 /nfs/dbraw/zinc/56/20/34/411562034.db2.gz KJGRNTCIHKSRDK-BDAKNGLRSA-N 1 2 224.308 1.229 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)CC(C)C)[nH]1 ZINC000657608369 411562179 /nfs/dbraw/zinc/56/21/79/411562179.db2.gz WKDBUBYPFQILFN-VIFPVBQESA-N 1 2 226.324 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)[nH]1 ZINC000657608969 411562374 /nfs/dbraw/zinc/56/23/74/411562374.db2.gz GUNJJRQWPGJVDQ-YIZRAAEISA-N 1 2 224.308 1.085 20 0 BDADLO CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CCO ZINC000179229907 170278939 /nfs/dbraw/zinc/27/89/39/170278939.db2.gz XCAZIMSSAIUJRU-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CCO ZINC000179229907 170278941 /nfs/dbraw/zinc/27/89/41/170278941.db2.gz XCAZIMSSAIUJRU-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000050064161 170281353 /nfs/dbraw/zinc/28/13/53/170281353.db2.gz RXNAYVGHYZDCPO-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000050064161 170281355 /nfs/dbraw/zinc/28/13/55/170281355.db2.gz RXNAYVGHYZDCPO-GFCCVEGCSA-N 1 2 234.299 1.609 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1C ZINC000180765188 170281369 /nfs/dbraw/zinc/28/13/69/170281369.db2.gz YMXCGSAXEBACGT-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1c[nH]nc1C ZINC000180765188 170281370 /nfs/dbraw/zinc/28/13/70/170281370.db2.gz YMXCGSAXEBACGT-LLVKDONJSA-N 1 2 237.303 1.246 20 0 BDADLO Cc1nc(C[N@@H+]2CCOCC3(CCC3)C2)co1 ZINC000660276741 411563679 /nfs/dbraw/zinc/56/36/79/411563679.db2.gz HWXVKHIVHCSEGP-UHFFFAOYSA-N 1 2 236.315 1.986 20 0 BDADLO Cc1nc(C[N@H+]2CCOCC3(CCC3)C2)co1 ZINC000660276741 411563681 /nfs/dbraw/zinc/56/36/81/411563681.db2.gz HWXVKHIVHCSEGP-UHFFFAOYSA-N 1 2 236.315 1.986 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000660277282 411563879 /nfs/dbraw/zinc/56/38/79/411563879.db2.gz KQKJEAGSVDPMEI-MXWKQRLJSA-N 1 2 248.330 1.236 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000660277282 411563881 /nfs/dbraw/zinc/56/38/81/411563881.db2.gz KQKJEAGSVDPMEI-MXWKQRLJSA-N 1 2 248.330 1.236 20 0 BDADLO O=C1N=NC2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCN12 ZINC000660277282 411563883 /nfs/dbraw/zinc/56/38/83/411563883.db2.gz KQKJEAGSVDPMEI-MXWKQRLJSA-N 1 2 248.330 1.236 20 0 BDADLO O=C1N=NC2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCN12 ZINC000660277282 411563885 /nfs/dbraw/zinc/56/38/85/411563885.db2.gz KQKJEAGSVDPMEI-MXWKQRLJSA-N 1 2 248.330 1.236 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccncc2F)nn1 ZINC000657625010 411565809 /nfs/dbraw/zinc/56/58/09/411565809.db2.gz RXEWDPLXBABERU-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO C[C@@H](NC(=O)NCC1CCC1)c1[nH+]ccn1C ZINC000660334675 411571413 /nfs/dbraw/zinc/57/14/13/411571413.db2.gz ZLRFJLYVQMZFGN-SECBINFHSA-N 1 2 236.319 1.580 20 0 BDADLO C[C@H](NC(=O)NCC1CCC1)c1[nH+]ccn1C ZINC000660334676 411571719 /nfs/dbraw/zinc/57/17/19/411571719.db2.gz ZLRFJLYVQMZFGN-VIFPVBQESA-N 1 2 236.319 1.580 20 0 BDADLO C[C@@]1(C[NH2+]Cc2ccn[nH]2)CC1(F)F ZINC000657667023 411573289 /nfs/dbraw/zinc/57/32/89/411573289.db2.gz WKJSMZOIGJQNCI-QMMMGPOBSA-N 1 2 201.220 1.545 20 0 BDADLO CCOC1CN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000296969658 170334327 /nfs/dbraw/zinc/33/43/27/170334327.db2.gz ILBAQMUXXFYPQK-UHFFFAOYSA-N 1 2 249.314 1.951 20 0 BDADLO CCOC1C[NH+](C[C@H](O)c2ccccc2)C1 ZINC000296118265 170335889 /nfs/dbraw/zinc/33/58/89/170335889.db2.gz LGAOOHKVMGGJPX-ZDUSSCGKSA-N 1 2 221.300 1.441 20 0 BDADLO CCOC1C[NH+](Cc2cnc(C)s2)C1 ZINC000297304021 170336554 /nfs/dbraw/zinc/33/65/54/170336554.db2.gz BISYBCLEMQZENW-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CCOC1C[NH+](Cc2cnc(CC)s2)C1 ZINC000297523212 170336640 /nfs/dbraw/zinc/33/66/40/170336640.db2.gz WZIINWULXVPYAY-UHFFFAOYSA-N 1 2 226.345 1.926 20 0 BDADLO CCOC1CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000338835136 170336778 /nfs/dbraw/zinc/33/67/78/170336778.db2.gz SPPIUGYSNHRHSJ-UHFFFAOYSA-N 1 2 221.304 1.627 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@H](C)[C@H](C)O1 ZINC000660375788 411575222 /nfs/dbraw/zinc/57/52/22/411575222.db2.gz YEODHBRFUBIJRU-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@H](C)[C@H](C)O1 ZINC000660375788 411575224 /nfs/dbraw/zinc/57/52/24/411575224.db2.gz YEODHBRFUBIJRU-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO CCOCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276611107 170346285 /nfs/dbraw/zinc/34/62/85/170346285.db2.gz MVMMYHRQBFMPSL-SNVBAGLBSA-N 1 2 225.292 1.260 20 0 BDADLO CCOCC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000291465950 170351440 /nfs/dbraw/zinc/35/14/40/170351440.db2.gz MJRXNUOBRROFBK-UHFFFAOYSA-N 1 2 239.319 1.062 20 0 BDADLO C[C@H]([NH2+]Cc1cncs1)c1ccn(C)n1 ZINC000660780913 411629233 /nfs/dbraw/zinc/62/92/33/411629233.db2.gz PNCUGKPMRFUTEM-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1cn[nH]c1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657665614 411577106 /nfs/dbraw/zinc/57/71/06/411577106.db2.gz SXDIOQFNAZZYBB-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO Cc1c[nH]nc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657665614 411577109 /nfs/dbraw/zinc/57/71/09/411577109.db2.gz SXDIOQFNAZZYBB-UHFFFAOYSA-N 1 2 245.330 1.619 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)co1 ZINC000660389355 411577270 /nfs/dbraw/zinc/57/72/70/411577270.db2.gz LHQVFVBWZNVOCJ-MVWJERBFSA-N 1 2 249.314 1.069 20 0 BDADLO Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)co1 ZINC000660389355 411577272 /nfs/dbraw/zinc/57/72/72/411577272.db2.gz LHQVFVBWZNVOCJ-MVWJERBFSA-N 1 2 249.314 1.069 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@@H+]1CC1CC=CC1 ZINC000660418328 411581581 /nfs/dbraw/zinc/58/15/81/411581581.db2.gz OHAKUQAJZXSWQP-NSHDSACASA-N 1 2 243.372 1.462 20 0 BDADLO C[C@H]1CCS(=O)(=O)CC[N@H+]1CC1CC=CC1 ZINC000660418328 411581582 /nfs/dbraw/zinc/58/15/82/411581582.db2.gz OHAKUQAJZXSWQP-NSHDSACASA-N 1 2 243.372 1.462 20 0 BDADLO Cn1c[nH+]c(CN2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000660428550 411583743 /nfs/dbraw/zinc/58/37/43/411583743.db2.gz FONJKJXMAXCJBY-GFCCVEGCSA-N 1 2 231.303 1.480 20 0 BDADLO C[C@H](NC(=O)NCc1ccoc1)c1[nH+]ccn1C ZINC000660466924 411589761 /nfs/dbraw/zinc/58/97/61/411589761.db2.gz XLZCIAPQHGIYBK-VIFPVBQESA-N 1 2 248.286 1.574 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@@H+]1CCOCC12CC2 ZINC000660488672 411593007 /nfs/dbraw/zinc/59/30/07/411593007.db2.gz ICEGLHOFVVMAIQ-VIFPVBQESA-N 1 2 233.258 1.275 20 0 BDADLO FC1(F)C[C@@H]1OCC[N@H+]1CCOCC12CC2 ZINC000660488672 411593009 /nfs/dbraw/zinc/59/30/09/411593009.db2.gz ICEGLHOFVVMAIQ-VIFPVBQESA-N 1 2 233.258 1.275 20 0 BDADLO COC[C@H](C[N@@H+]1CCCC[C@H]1C(F)F)OC ZINC000660486278 411593143 /nfs/dbraw/zinc/59/31/43/411593143.db2.gz QCFOMPWHNQIQGS-UWVGGRQHSA-N 1 2 237.290 1.767 20 0 BDADLO COC[C@H](C[N@H+]1CCCC[C@H]1C(F)F)OC ZINC000660486278 411593144 /nfs/dbraw/zinc/59/31/44/411593144.db2.gz QCFOMPWHNQIQGS-UWVGGRQHSA-N 1 2 237.290 1.767 20 0 BDADLO c1cc([C@H]2CCCC[N@H+]2CCc2c[nH]nn2)n[nH]1 ZINC000660534643 411596218 /nfs/dbraw/zinc/59/62/18/411596218.db2.gz GGHQQDHOGSSOHA-GFCCVEGCSA-N 1 2 246.318 1.298 20 0 BDADLO c1cc([C@H]2CCCC[N@@H+]2CCc2c[nH]nn2)n[nH]1 ZINC000660534643 411596220 /nfs/dbraw/zinc/59/62/20/411596220.db2.gz GGHQQDHOGSSOHA-GFCCVEGCSA-N 1 2 246.318 1.298 20 0 BDADLO CCc1nocc1C[NH2+][C@@H](C)c1nccn1C ZINC000657792417 411598279 /nfs/dbraw/zinc/59/82/79/411598279.db2.gz DQBRKGBSUGZGCO-VIFPVBQESA-N 1 2 234.303 1.821 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1nccn1C ZINC000657792759 411599122 /nfs/dbraw/zinc/59/91/22/411599122.db2.gz CXKGOSZVAFWSHK-VIFPVBQESA-N 1 2 219.292 1.302 20 0 BDADLO c1nn[nH]c1CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000660561042 411600390 /nfs/dbraw/zinc/60/03/90/411600390.db2.gz PSUYBGGVOXFRPP-LLVKDONJSA-N 1 2 220.320 1.469 20 0 BDADLO c1nn[nH]c1CC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000660561042 411600391 /nfs/dbraw/zinc/60/03/91/411600391.db2.gz PSUYBGGVOXFRPP-LLVKDONJSA-N 1 2 220.320 1.469 20 0 BDADLO Cn1cnc(C[N@@H+]2CCCc3occc3C2)c1 ZINC000660562566 411601363 /nfs/dbraw/zinc/60/13/63/411601363.db2.gz MMGVSJVPJRBRRQ-UHFFFAOYSA-N 1 2 231.299 1.962 20 0 BDADLO Cn1cnc(C[N@H+]2CCCc3occc3C2)c1 ZINC000660562566 411601364 /nfs/dbraw/zinc/60/13/64/411601364.db2.gz MMGVSJVPJRBRRQ-UHFFFAOYSA-N 1 2 231.299 1.962 20 0 BDADLO Cc1nc([C@@H](C)N2CCn3c[nH+]cc3C2)no1 ZINC000660581548 411603097 /nfs/dbraw/zinc/60/30/97/411603097.db2.gz FXZANJFYGLZYAV-MRVPVSSYSA-N 1 2 233.275 1.151 20 0 BDADLO FC(F)(F)COCCN1CCn2c[nH+]cc2C1 ZINC000660577526 411603171 /nfs/dbraw/zinc/60/31/71/411603171.db2.gz GNMJERYMXZNUAE-UHFFFAOYSA-N 1 2 249.236 1.278 20 0 BDADLO c1csc(C[NH2+][C@H]2CCCn3nccc32)n1 ZINC000657841465 411609698 /nfs/dbraw/zinc/60/96/98/411609698.db2.gz GTLZHXVKYNJEML-VIFPVBQESA-N 1 2 234.328 1.964 20 0 BDADLO CC[C@H]1CN(C)CC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660643903 411610816 /nfs/dbraw/zinc/61/08/16/411610816.db2.gz FFOGLTMWQAFIPG-QWRGUYRKSA-N 1 2 248.317 1.437 20 0 BDADLO CC[C@H]1CN(C)CC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660643903 411610817 /nfs/dbraw/zinc/61/08/17/411610817.db2.gz FFOGLTMWQAFIPG-QWRGUYRKSA-N 1 2 248.317 1.437 20 0 BDADLO CC[C@@H]1CN(C)CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660643901 411610869 /nfs/dbraw/zinc/61/08/69/411610869.db2.gz FFOGLTMWQAFIPG-GHMZBOCLSA-N 1 2 248.317 1.437 20 0 BDADLO CC[C@@H]1CN(C)CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660643901 411610870 /nfs/dbraw/zinc/61/08/70/411610870.db2.gz FFOGLTMWQAFIPG-GHMZBOCLSA-N 1 2 248.317 1.437 20 0 BDADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc[nH]n1 ZINC000657874820 411615164 /nfs/dbraw/zinc/61/51/64/411615164.db2.gz BDCNDTLVEKLNHR-SNVBAGLBSA-N 1 2 217.276 1.231 20 0 BDADLO Cc1cc(NCC[C@@H](O)C(F)F)nc[nH+]1 ZINC000631459876 411651016 /nfs/dbraw/zinc/65/10/16/411651016.db2.gz JMEROAYSZWAFDM-SSDOTTSWSA-N 1 2 217.219 1.213 20 0 BDADLO Cc1cc(NC[C@H]2COCCO2)nc(C2CC2)[nH+]1 ZINC000604758759 411653406 /nfs/dbraw/zinc/65/34/06/411653406.db2.gz UHTLLNCECTZQIG-NSHDSACASA-N 1 2 249.314 1.490 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCC(F)(F)C1 ZINC000660841696 411654813 /nfs/dbraw/zinc/65/48/13/411654813.db2.gz IFTSCVMFVJSUKW-ZETCQYMHSA-N 1 2 247.245 1.642 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H]1CCC(F)(F)C1 ZINC000660841696 411654815 /nfs/dbraw/zinc/65/48/15/411654815.db2.gz IFTSCVMFVJSUKW-ZETCQYMHSA-N 1 2 247.245 1.642 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)CC1CCCC1 ZINC000660845062 411655601 /nfs/dbraw/zinc/65/56/01/411655601.db2.gz ILGROVVLGSJNSX-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)CC1CCCC1 ZINC000660845062 411655606 /nfs/dbraw/zinc/65/56/06/411655606.db2.gz ILGROVVLGSJNSX-UHFFFAOYSA-N 1 2 211.265 1.397 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc(F)cc1 ZINC000660845289 411656787 /nfs/dbraw/zinc/65/67/87/411656787.db2.gz OAKGMXRRYLMJJS-UHFFFAOYSA-N 1 2 237.234 1.546 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc(F)cc1 ZINC000660845289 411656789 /nfs/dbraw/zinc/65/67/89/411656789.db2.gz OAKGMXRRYLMJJS-UHFFFAOYSA-N 1 2 237.234 1.546 20 0 BDADLO Cc1cccc2[nH+]c(CCNC(=O)C3CC3)cn21 ZINC000071490791 411717067 /nfs/dbraw/zinc/71/70/67/411717067.db2.gz AWILJGVCOMQRHA-UHFFFAOYSA-N 1 2 243.310 1.711 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)co1 ZINC000660862418 411659224 /nfs/dbraw/zinc/65/92/24/411659224.db2.gz QBYFUQYSMVHIRK-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)co1 ZINC000660862418 411659229 /nfs/dbraw/zinc/65/92/29/411659229.db2.gz QBYFUQYSMVHIRK-GFCCVEGCSA-N 1 2 247.302 1.412 20 0 BDADLO CCn1nccc1C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000663470010 411666387 /nfs/dbraw/zinc/66/63/87/411666387.db2.gz MMBPBVQJLUEKPC-NSHDSACASA-N 1 2 247.346 1.796 20 0 BDADLO COC[C@@H](C[N@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000660926226 411676828 /nfs/dbraw/zinc/67/68/28/411676828.db2.gz KVMGYVUEQOMQSK-PSASIEDQSA-N 1 2 243.307 1.032 20 0 BDADLO COC[C@@H](C[N@@H+](C)[C@H](C)c1nc(C)no1)OC ZINC000660926226 411676834 /nfs/dbraw/zinc/67/68/34/411676834.db2.gz KVMGYVUEQOMQSK-PSASIEDQSA-N 1 2 243.307 1.032 20 0 BDADLO CC(C)c1nnc(CN(C)Cc2c[nH+]c[nH]2)o1 ZINC000661086815 411699799 /nfs/dbraw/zinc/69/97/99/411699799.db2.gz INKYAUZAAGCCAV-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO CC(C)c1nnc(CN(C)Cc2c[nH]c[nH+]2)o1 ZINC000661086815 411699804 /nfs/dbraw/zinc/69/98/04/411699804.db2.gz INKYAUZAAGCCAV-UHFFFAOYSA-N 1 2 235.291 1.548 20 0 BDADLO Nc1cccc2c1cc[nH+]c2N1CC[C@@H](O)C1 ZINC000663543824 411700190 /nfs/dbraw/zinc/70/01/90/411700190.db2.gz RUYUFEHTXZIESM-SECBINFHSA-N 1 2 229.283 1.388 20 0 BDADLO C[C@H](CF)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661185272 411729867 /nfs/dbraw/zinc/72/98/67/411729867.db2.gz CWYCBGXLYNAQEA-SFYZADRCSA-N 1 2 228.271 1.138 20 0 BDADLO C[C@@H](F)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661239702 411741427 /nfs/dbraw/zinc/74/14/27/411741427.db2.gz NJFNMQODVCAJOZ-RKDXNWHRSA-N 1 2 242.298 1.528 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1[nH+]ccc2c(N)cccc21 ZINC000663841156 411760230 /nfs/dbraw/zinc/76/02/30/411760230.db2.gz AWKCWOIKSSYQPP-UWVGGRQHSA-N 1 2 243.310 1.777 20 0 BDADLO COc1ccc[nH+]c1NCCNc1cnccn1 ZINC000527860228 411761747 /nfs/dbraw/zinc/76/17/47/411761747.db2.gz VMLMVAQFZNTZJR-UHFFFAOYSA-N 1 2 245.286 1.404 20 0 BDADLO CCc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n[nH]1 ZINC000616352738 411766059 /nfs/dbraw/zinc/76/60/59/411766059.db2.gz ABOMAPGVVZPIDJ-MRVPVSSYSA-N 1 2 247.302 1.513 20 0 BDADLO CCc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000616352738 411766064 /nfs/dbraw/zinc/76/60/64/411766064.db2.gz ABOMAPGVVZPIDJ-MRVPVSSYSA-N 1 2 247.302 1.513 20 0 BDADLO CCC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661405234 411768752 /nfs/dbraw/zinc/76/87/52/411768752.db2.gz CZUFYGUPVMSXFX-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661405234 411768755 /nfs/dbraw/zinc/76/87/55/411768755.db2.gz CZUFYGUPVMSXFX-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO CCc1cc(NC[C@H]2CCN(C(C)=O)C2)nc[nH+]1 ZINC000663914330 411772821 /nfs/dbraw/zinc/77/28/21/411772821.db2.gz PGIIIUFLCLHWQD-LLVKDONJSA-N 1 2 248.330 1.319 20 0 BDADLO CC(=O)c1ccnc(N2CCn3c[nH+]cc3C2)c1 ZINC000663922566 411777390 /nfs/dbraw/zinc/77/73/90/411777390.db2.gz YWVSRYBGWSLFHL-UHFFFAOYSA-N 1 2 242.282 1.501 20 0 BDADLO C[C@@H]1[C@@H](C)CN1c1[nH+]cnc2c1cnn2C ZINC000663945272 411785832 /nfs/dbraw/zinc/78/58/32/411785832.db2.gz FMYWAPNAXVOALH-JGVFFNPUSA-N 1 2 217.276 1.208 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC000663945274 411785939 /nfs/dbraw/zinc/78/59/39/411785939.db2.gz FMYWAPNAXVOALH-YUMQZZPRSA-N 1 2 217.276 1.208 20 0 BDADLO c1[nH]cc(C2CCN(c3cnccn3)CC2)[nH+]1 ZINC000663699548 411726262 /nfs/dbraw/zinc/72/62/62/411726262.db2.gz BCMUOCUCLFUALJ-UHFFFAOYSA-N 1 2 229.287 1.584 20 0 BDADLO c1[nH]c(C2CCN(c3cnccn3)CC2)c[nH+]1 ZINC000663699548 411726265 /nfs/dbraw/zinc/72/62/65/411726265.db2.gz BCMUOCUCLFUALJ-UHFFFAOYSA-N 1 2 229.287 1.584 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165112 411727178 /nfs/dbraw/zinc/72/71/78/411727178.db2.gz RUHHLSNJVWTDET-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661165112 411727181 /nfs/dbraw/zinc/72/71/81/411727181.db2.gz RUHHLSNJVWTDET-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(C)F ZINC000661748214 411864130 /nfs/dbraw/zinc/86/41/30/411864130.db2.gz WPHFNPHXLXCMCW-UHFFFAOYSA-N 1 2 242.298 1.689 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(C)F ZINC000661748214 411864135 /nfs/dbraw/zinc/86/41/35/411864135.db2.gz WPHFNPHXLXCMCW-UHFFFAOYSA-N 1 2 242.298 1.689 20 0 BDADLO Cc1nnc(C[N@@H+](C)Cc2ccc(CO)cc2)o1 ZINC000661529676 411796325 /nfs/dbraw/zinc/79/63/25/411796325.db2.gz QARLZWGSZHMFOX-UHFFFAOYSA-N 1 2 247.298 1.502 20 0 BDADLO Cc1nnc(C[N@H+](C)Cc2ccc(CO)cc2)o1 ZINC000661529676 411796330 /nfs/dbraw/zinc/79/63/30/411796330.db2.gz QARLZWGSZHMFOX-UHFFFAOYSA-N 1 2 247.298 1.502 20 0 BDADLO CCc1nc(N2CCC23COC3)cc(C)[nH+]1 ZINC000663973074 411796919 /nfs/dbraw/zinc/79/69/19/411796919.db2.gz JITSVAAEQNVSNP-UHFFFAOYSA-N 1 2 219.288 1.327 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000663974417 411798746 /nfs/dbraw/zinc/79/87/46/411798746.db2.gz JLXMSCZPKDSHQC-QWRGUYRKSA-N 1 2 248.330 1.504 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccccn2)C[C@@H](C)C1=O ZINC000661551944 411801070 /nfs/dbraw/zinc/80/10/70/411801070.db2.gz WEGRZEJZEJUEJC-GHMZBOCLSA-N 1 2 218.300 1.739 20 0 BDADLO COc1cccc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)n1 ZINC000661549485 411801613 /nfs/dbraw/zinc/80/16/13/411801613.db2.gz PWMZXRVXKQEYOI-GHMZBOCLSA-N 1 2 248.326 1.747 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000661564648 411802809 /nfs/dbraw/zinc/80/28/09/411802809.db2.gz JEUPKKNPYPYMKA-GFCCVEGCSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1cc2ccccc2o1 ZINC000661564648 411802811 /nfs/dbraw/zinc/80/28/11/411802811.db2.gz JEUPKKNPYPYMKA-GFCCVEGCSA-N 1 2 247.294 1.626 20 0 BDADLO FCCn1ncnc1COc1cc[nH+]cc1 ZINC000664017291 411815924 /nfs/dbraw/zinc/81/59/24/411815924.db2.gz XVLTUJCLSKZVCS-UHFFFAOYSA-N 1 2 222.223 1.222 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2COCCO2)c(C)o1 ZINC000661614284 411818678 /nfs/dbraw/zinc/81/86/78/411818678.db2.gz ODCAUKIDDQMQFL-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2COCCO2)c(C)o1 ZINC000661614284 411818680 /nfs/dbraw/zinc/81/86/80/411818680.db2.gz ODCAUKIDDQMQFL-LLVKDONJSA-N 1 2 240.303 1.139 20 0 BDADLO Cc1nc([C@H](C)[NH+]2C[C@@H](C)C(O)[C@H](C)C2)no1 ZINC000661629314 411823891 /nfs/dbraw/zinc/82/38/91/411823891.db2.gz WFAIPVDRXRQBPC-HLTSFMKQSA-N 1 2 239.319 1.388 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc(C(C)(C)C)nc1=O ZINC000664045851 411827459 /nfs/dbraw/zinc/82/74/59/411827459.db2.gz SANYUMOMJUKSKZ-UHFFFAOYSA-N 1 2 246.314 1.323 20 0 BDADLO CCc1nnc(C[N@H+](C)CC2=CCCOC2)[nH]1 ZINC000661652811 411831361 /nfs/dbraw/zinc/83/13/61/411831361.db2.gz CTYYPCAMBSXYMQ-UHFFFAOYSA-N 1 2 236.319 1.146 20 0 BDADLO CCc1nnc(C[N@@H+](C)CC2=CCCOC2)[nH]1 ZINC000661652811 411831366 /nfs/dbraw/zinc/83/13/66/411831366.db2.gz CTYYPCAMBSXYMQ-UHFFFAOYSA-N 1 2 236.319 1.146 20 0 BDADLO FCC[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 ZINC000661687540 411837371 /nfs/dbraw/zinc/83/73/71/411837371.db2.gz CLZPMYRJUOWKNY-JTQLQIEISA-N 1 2 226.299 1.419 20 0 BDADLO FCC[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 ZINC000661687540 411837374 /nfs/dbraw/zinc/83/73/74/411837374.db2.gz CLZPMYRJUOWKNY-JTQLQIEISA-N 1 2 226.299 1.419 20 0 BDADLO C/C=C/C=C/C(=O)NCc1c[nH+]c(C)nc1N ZINC000493188090 411839845 /nfs/dbraw/zinc/83/98/45/411839845.db2.gz NNCSEPAYTWAQJK-VNKDHWASSA-N 1 2 232.287 1.116 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661701476 411847861 /nfs/dbraw/zinc/84/78/61/411847861.db2.gz ANCRKZJVUXJZNW-WCABBAIRSA-N 1 2 239.344 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661701476 411847864 /nfs/dbraw/zinc/84/78/64/411847864.db2.gz ANCRKZJVUXJZNW-WCABBAIRSA-N 1 2 239.344 1.567 20 0 BDADLO c1c(Cn2cc(C3CC3)nn2)[nH+]c2ccccn12 ZINC000664120737 411860700 /nfs/dbraw/zinc/86/07/00/411860700.db2.gz IZPXFBMNTQIWBO-UHFFFAOYSA-N 1 2 239.282 1.852 20 0 BDADLO Cc1[nH+]cccc1Cn1cc(C2CC2)nn1 ZINC000664121376 411861545 /nfs/dbraw/zinc/86/15/45/411861545.db2.gz BVLSCLJBEDNRAL-UHFFFAOYSA-N 1 2 214.272 1.907 20 0 BDADLO COc1ccc2c(c1)CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000661742332 411862065 /nfs/dbraw/zinc/86/20/65/411862065.db2.gz NRFJGZNVOGSNII-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccc2c(c1)CC[N@H+](Cc1cc[nH]n1)C2 ZINC000661742332 411862068 /nfs/dbraw/zinc/86/20/68/411862068.db2.gz NRFJGZNVOGSNII-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)no1 ZINC000661852720 411903300 /nfs/dbraw/zinc/90/33/00/411903300.db2.gz FEFNKZGFGNBIKT-KXUCPTDWSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)no1 ZINC000661852720 411903302 /nfs/dbraw/zinc/90/33/02/411903302.db2.gz FEFNKZGFGNBIKT-KXUCPTDWSA-N 1 2 239.319 1.938 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355833593 170800054 /nfs/dbraw/zinc/80/00/54/170800054.db2.gz TYNRJEAGRYGAHZ-KOLCDFICSA-N 1 2 239.319 1.429 20 0 BDADLO Cc1ccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)cn1 ZINC000664285518 411912285 /nfs/dbraw/zinc/91/22/85/411912285.db2.gz BFHXUNCPKQIBPV-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1ccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)cn1 ZINC000664285518 411912289 /nfs/dbraw/zinc/91/22/89/411912289.db2.gz BFHXUNCPKQIBPV-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cc1nc(N2CC3(CCC3)OC[C@H]2C)cc[nH+]1 ZINC000664279630 411912407 /nfs/dbraw/zinc/91/24/07/411912407.db2.gz WJOZGWSWLTWXSI-SNVBAGLBSA-N 1 2 233.315 1.933 20 0 BDADLO CN(C[C@H]1COCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000664343558 411926187 /nfs/dbraw/zinc/92/61/87/411926187.db2.gz XOCUBGSBDYNYNL-JTQLQIEISA-N 1 2 247.298 1.415 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)on1 ZINC000661973611 411931049 /nfs/dbraw/zinc/93/10/49/411931049.db2.gz NWPKMEDRBOULSX-UWVGGRQHSA-N 1 2 235.287 1.263 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)on1 ZINC000661973611 411931052 /nfs/dbraw/zinc/93/10/52/411931052.db2.gz NWPKMEDRBOULSX-UWVGGRQHSA-N 1 2 235.287 1.263 20 0 BDADLO c1c[nH+]c(CN2CCOC(C3CC3)(C3CC3)C2)[nH]1 ZINC000661997218 411937723 /nfs/dbraw/zinc/93/77/23/411937723.db2.gz QHGQEBITZZEXBL-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000661997218 411937726 /nfs/dbraw/zinc/93/77/26/411937726.db2.gz QHGQEBITZZEXBL-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO c1c[nH]c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000661997218 411937729 /nfs/dbraw/zinc/93/77/29/411937729.db2.gz QHGQEBITZZEXBL-UHFFFAOYSA-N 1 2 247.342 1.801 20 0 BDADLO CC[C@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)CCO1 ZINC000631308941 411875695 /nfs/dbraw/zinc/87/56/95/411875695.db2.gz HWCGREVFTLACEW-BDAKNGLRSA-N 1 2 237.307 1.132 20 0 BDADLO CC[C@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)CCO1 ZINC000631308941 411875699 /nfs/dbraw/zinc/87/56/99/411875699.db2.gz HWCGREVFTLACEW-BDAKNGLRSA-N 1 2 237.307 1.132 20 0 BDADLO Cn1ccnc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662046912 411964010 /nfs/dbraw/zinc/96/40/10/411964010.db2.gz VDBLHPXIBCWEQT-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO CCc1cc(N[C@@H]2C[C@H](O)C23CCC3)nc[nH+]1 ZINC000664465209 411965899 /nfs/dbraw/zinc/96/58/99/411965899.db2.gz HUZSDJNYMMYXNB-MNOVXSKESA-N 1 2 233.315 1.754 20 0 BDADLO Cc1cc(NC2([C@H](C)O)CC2)nc(C2CC2)[nH+]1 ZINC000664548883 411981778 /nfs/dbraw/zinc/98/17/78/411981778.db2.gz CKIKKLQVCNJFCO-VIFPVBQESA-N 1 2 233.315 1.988 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@]1(C)CC1(C)C ZINC000664550219 411983113 /nfs/dbraw/zinc/98/31/13/411983113.db2.gz NHFSCNBTLVJQOM-GFCCVEGCSA-N 1 2 231.303 1.964 20 0 BDADLO COc1c(N)[nH+]cnc1NCCCc1ccco1 ZINC000664584460 411991650 /nfs/dbraw/zinc/99/16/50/411991650.db2.gz FTMJOGTUWMITOI-UHFFFAOYSA-N 1 2 248.286 1.705 20 0 BDADLO COc1c(N)nc[nH+]c1NCCCc1ccco1 ZINC000664584460 411991652 /nfs/dbraw/zinc/99/16/52/411991652.db2.gz FTMJOGTUWMITOI-UHFFFAOYSA-N 1 2 248.286 1.705 20 0 BDADLO C[C@H](Nc1ncc(F)cn1)c1[nH+]ccn1C ZINC000664608491 411997684 /nfs/dbraw/zinc/99/76/84/411997684.db2.gz FLJDUPINWNUSCZ-ZETCQYMHSA-N 1 2 221.239 1.522 20 0 BDADLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)nn1 ZINC000664608542 411998800 /nfs/dbraw/zinc/99/88/00/411998800.db2.gz GSBXYXSPZMXHRT-SECBINFHSA-N 1 2 217.276 1.692 20 0 BDADLO Cc1nc(N[C@@H](C)c2cccc(O)c2)nc(N)[nH+]1 ZINC000631094139 411946587 /nfs/dbraw/zinc/94/65/87/411946587.db2.gz KWRXCSKMZPBVTF-ZETCQYMHSA-N 1 2 245.286 1.063 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)c2cccc(O)c2)[nH+]1 ZINC000631094139 411946589 /nfs/dbraw/zinc/94/65/89/411946589.db2.gz KWRXCSKMZPBVTF-ZETCQYMHSA-N 1 2 245.286 1.063 20 0 BDADLO C[C@]12COC[C@@H]1CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000664420745 411949314 /nfs/dbraw/zinc/94/93/14/411949314.db2.gz ZTWUYSQUYXIFOC-FZMZJTMJSA-N 1 2 245.326 1.827 20 0 BDADLO Cc1nc(N2C[C@H]3COC[C@]3(C)C2)c(C)c(C)[nH+]1 ZINC000664418904 411949496 /nfs/dbraw/zinc/94/94/96/411949496.db2.gz ROFBNIRYMADVKS-JSGCOSHPSA-N 1 2 247.342 1.875 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033705 411950145 /nfs/dbraw/zinc/95/01/45/411950145.db2.gz KPQPCAHUCPKTGL-DTWKUNHWSA-N 1 2 225.317 1.006 20 0 BDADLO c1snnc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033705 411950148 /nfs/dbraw/zinc/95/01/48/411950148.db2.gz KPQPCAHUCPKTGL-DTWKUNHWSA-N 1 2 225.317 1.006 20 0 BDADLO CC[C@@H](OC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000261546679 170944306 /nfs/dbraw/zinc/94/43/06/170944306.db2.gz LFJRSNKNBQKDGV-MRVPVSSYSA-N 1 2 209.249 1.027 20 0 BDADLO CC[C@H](Nc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000664439411 411957115 /nfs/dbraw/zinc/95/71/15/411957115.db2.gz XERPXJJSZHQCEH-VIFPVBQESA-N 1 2 234.303 1.881 20 0 BDADLO CC[C@H](Nc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000664439411 411957120 /nfs/dbraw/zinc/95/71/20/411957120.db2.gz XERPXJJSZHQCEH-VIFPVBQESA-N 1 2 234.303 1.881 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H]2[C@@H](C)O)[nH+]1 ZINC000664437713 411957818 /nfs/dbraw/zinc/95/78/18/411957818.db2.gz AGMOUJZLLPPMJQ-LDYMZIIASA-N 1 2 246.314 1.616 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000664442325 411959482 /nfs/dbraw/zinc/95/94/82/411959482.db2.gz VZWNSGBHNUTMKH-JOYOIKCWSA-N 1 2 231.299 1.913 20 0 BDADLO C[C@H](NC(=O)Nc1ccccn1)c1[nH+]ccn1C ZINC000664454682 411961201 /nfs/dbraw/zinc/96/12/01/411961201.db2.gz MRSODIICXWUHHP-VIFPVBQESA-N 1 2 245.286 1.698 20 0 BDADLO C[C@H](NC(=O)N1CCCC1)c1[nH+]ccn1C ZINC000664455317 411963397 /nfs/dbraw/zinc/96/33/97/411963397.db2.gz XZJQORGVQYZMFR-VIFPVBQESA-N 1 2 222.292 1.287 20 0 BDADLO Cc1cnc(C[N@H+](C)CC2=CCSC2)nc1 ZINC000662263170 412052876 /nfs/dbraw/zinc/05/28/76/412052876.db2.gz IHPSGJGUVYMYEJ-UHFFFAOYSA-N 1 2 235.356 1.890 20 0 BDADLO Cc1cnc(C[N@@H+](C)CC2=CCSC2)nc1 ZINC000662263170 412052877 /nfs/dbraw/zinc/05/28/77/412052877.db2.gz IHPSGJGUVYMYEJ-UHFFFAOYSA-N 1 2 235.356 1.890 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)CC1=CCSC1 ZINC000662263156 412053231 /nfs/dbraw/zinc/05/32/31/412053231.db2.gz IAUNFKFHQGUMJN-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)CC1=CCSC1 ZINC000662263156 412053232 /nfs/dbraw/zinc/05/32/32/412053232.db2.gz IAUNFKFHQGUMJN-UHFFFAOYSA-N 1 2 209.318 1.515 20 0 BDADLO C[N@H+](CC1=CCSC1)Cc1nccc(N)n1 ZINC000662263307 412053821 /nfs/dbraw/zinc/05/38/21/412053821.db2.gz JJVJHHKJKNPCDB-UHFFFAOYSA-N 1 2 236.344 1.164 20 0 BDADLO C[N@@H+](CC1=CCSC1)Cc1nccc(N)n1 ZINC000662263307 412053826 /nfs/dbraw/zinc/05/38/26/412053826.db2.gz JJVJHHKJKNPCDB-UHFFFAOYSA-N 1 2 236.344 1.164 20 0 BDADLO COCCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981965 412055149 /nfs/dbraw/zinc/05/51/49/412055149.db2.gz LZMDENRGPHEBJQ-UHFFFAOYSA-N 1 2 247.298 1.943 20 0 BDADLO C[N@@H+](Cc1cnns1)CC1=CCSC1 ZINC000662264414 412056754 /nfs/dbraw/zinc/05/67/54/412056754.db2.gz RKZSBOJTOIYLMZ-UHFFFAOYSA-N 1 2 227.358 1.643 20 0 BDADLO C[N@H+](Cc1cnns1)CC1=CCSC1 ZINC000662264414 412056758 /nfs/dbraw/zinc/05/67/58/412056758.db2.gz RKZSBOJTOIYLMZ-UHFFFAOYSA-N 1 2 227.358 1.643 20 0 BDADLO CC[C@@H]1CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000291738469 171018493 /nfs/dbraw/zinc/01/84/93/171018493.db2.gz YJXUZEZDCBXUPG-WDEREUQCSA-N 1 2 236.319 1.466 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1COCC[N@@H+]1C ZINC000346115236 171036380 /nfs/dbraw/zinc/03/63/80/171036380.db2.gz UWDWRKQQEXNDKJ-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1COCC[N@H+]1C ZINC000346115236 171036381 /nfs/dbraw/zinc/03/63/81/171036381.db2.gz UWDWRKQQEXNDKJ-IJLUTSLNSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000332684131 171091966 /nfs/dbraw/zinc/09/19/66/171091966.db2.gz SYZXDIFHFGXBKP-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@@H]1O ZINC000332684131 171091969 /nfs/dbraw/zinc/09/19/69/171091969.db2.gz SYZXDIFHFGXBKP-RQJHMYQMSA-N 1 2 247.245 1.210 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H](C)O1 ZINC000111275963 171094266 /nfs/dbraw/zinc/09/42/66/171094266.db2.gz DKEOMQXOGBKVRN-JBLDHEPKSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H](C)O1 ZINC000111275963 171094267 /nfs/dbraw/zinc/09/42/67/171094267.db2.gz DKEOMQXOGBKVRN-JBLDHEPKSA-N 1 2 240.347 1.153 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)C2CC2)C[C@@H](C)O1 ZINC000359594705 171096229 /nfs/dbraw/zinc/09/62/29/171096229.db2.gz KXMRMMKUVCLCMU-JLLWLGSASA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)C2CC2)C[C@@H](C)O1 ZINC000359594705 171096231 /nfs/dbraw/zinc/09/62/31/171096231.db2.gz KXMRMMKUVCLCMU-JLLWLGSASA-N 1 2 241.331 1.437 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)no1 ZINC000298579885 171109740 /nfs/dbraw/zinc/10/97/40/171109740.db2.gz URXUHIGAKXCUFB-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)no1 ZINC000298579885 171109741 /nfs/dbraw/zinc/10/97/41/171109741.db2.gz URXUHIGAKXCUFB-WDEREUQCSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@]1(C)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000135691741 171205121 /nfs/dbraw/zinc/20/51/21/171205121.db2.gz UDEQVDXXWYEDFY-NSHDSACASA-N 1 2 209.293 1.411 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnc(C)nc1 ZINC000340913758 171206692 /nfs/dbraw/zinc/20/66/92/171206692.db2.gz UNGZWINBDMTQAQ-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1cnc(C)nc1 ZINC000340913758 171206694 /nfs/dbraw/zinc/20/66/94/171206694.db2.gz UNGZWINBDMTQAQ-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(O)CC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332632622 171214994 /nfs/dbraw/zinc/21/49/94/171214994.db2.gz INCKXUVZSIZWII-GZMMTYOYSA-N 1 2 225.292 1.286 20 0 BDADLO CC[C@@]1(O)CC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000332632622 171214996 /nfs/dbraw/zinc/21/49/96/171214996.db2.gz INCKXUVZSIZWII-GZMMTYOYSA-N 1 2 225.292 1.286 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCC1 ZINC000665057237 412072511 /nfs/dbraw/zinc/07/25/11/412072511.db2.gz AWOCPGNRZRXPRU-GHMZBOCLSA-N 1 2 233.315 1.536 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091896458 171244178 /nfs/dbraw/zinc/24/41/78/171244178.db2.gz QBUFZDUMSILKKV-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@H](C(N)=O)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091896458 171244181 /nfs/dbraw/zinc/24/41/81/171244181.db2.gz QBUFZDUMSILKKV-GFCCVEGCSA-N 1 2 236.290 1.448 20 0 BDADLO CC[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290983957 171249491 /nfs/dbraw/zinc/24/94/91/171249491.db2.gz VZVQGPWFFUFJFX-VIFPVBQESA-N 1 2 207.277 1.271 20 0 BDADLO CC[C@H](C)CCC(=O)Nc1cc[nH+]cc1O ZINC000354519595 171265570 /nfs/dbraw/zinc/26/55/70/171265570.db2.gz BOLHEBYHDNEGOH-VIFPVBQESA-N 1 2 222.288 1.974 20 0 BDADLO CC[C@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047577852 171329974 /nfs/dbraw/zinc/32/99/74/171329974.db2.gz DZFXJHKMUCTMKB-UWVGGRQHSA-N 1 2 224.308 1.369 20 0 BDADLO CC[C@H](C)OCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269693086 171353967 /nfs/dbraw/zinc/35/39/67/171353967.db2.gz GGFYOFUZUOOLAO-QWRGUYRKSA-N 1 2 239.319 1.203 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCOC(C)C)C(=O)OC ZINC000336677837 171374959 /nfs/dbraw/zinc/37/49/59/171374959.db2.gz CBQHUTPQIXMTFR-WDEREUQCSA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@H](C)[C@H](C[NH2+][C@@H](C(=O)OC)C1CC1)OC ZINC000362978333 171393068 /nfs/dbraw/zinc/39/30/68/171393068.db2.gz ZGRYQAREXRSROS-ZMLRMANQSA-N 1 2 243.347 1.589 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665106197 412096798 /nfs/dbraw/zinc/09/67/98/412096798.db2.gz LBGAQZHFUFEJST-UPJWGTAASA-N 1 2 247.342 1.826 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](CCn2cccn2)CCO1 ZINC000662369271 412127534 /nfs/dbraw/zinc/12/75/34/412127534.db2.gz OIFPWKLAHQZYIS-LLVKDONJSA-N 1 2 245.273 1.239 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](CCn2cccn2)CCO1 ZINC000662369271 412127537 /nfs/dbraw/zinc/12/75/37/412127537.db2.gz OIFPWKLAHQZYIS-LLVKDONJSA-N 1 2 245.273 1.239 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cn1 ZINC000662371894 412129568 /nfs/dbraw/zinc/12/95/68/412129568.db2.gz QSNSFNDCDOVYEF-LLVKDONJSA-N 1 2 245.273 1.276 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)cn1 ZINC000662371894 412129571 /nfs/dbraw/zinc/12/95/71/412129571.db2.gz QSNSFNDCDOVYEF-LLVKDONJSA-N 1 2 245.273 1.276 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC3CC2(C)C3)no1 ZINC000662381332 412134734 /nfs/dbraw/zinc/13/47/34/412134734.db2.gz XIIFYHPFLBUYGU-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC3CC2(C)C3)no1 ZINC000662381332 412134738 /nfs/dbraw/zinc/13/47/38/412134738.db2.gz XIIFYHPFLBUYGU-UHFFFAOYSA-N 1 2 235.287 1.406 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1[nH]cc[nH+]1 ZINC000333561730 171506370 /nfs/dbraw/zinc/50/63/70/171506370.db2.gz RPINOXDKBHANBY-OUJBWJOFSA-N 1 2 249.314 1.404 20 0 BDADLO CN(CCO)c1ccc(NCc2ccon2)[nH+]c1 ZINC000634969795 412213831 /nfs/dbraw/zinc/21/38/31/412213831.db2.gz YLXVOYGIULAFEI-UHFFFAOYSA-N 1 2 248.286 1.110 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354334334 171678147 /nfs/dbraw/zinc/67/81/47/171678147.db2.gz ZWTBCOFOFOAXAG-QWRGUYRKSA-N 1 2 235.331 1.989 20 0 BDADLO COC(=O)CCNc1nc(C)[nH+]cc1C ZINC000515500459 412326965 /nfs/dbraw/zinc/32/69/65/412326965.db2.gz VZYFQDSUZUTMKD-UHFFFAOYSA-N 1 2 209.249 1.068 20 0 BDADLO CCCCc1cc(NC[C@H]2CNC(=O)C2)nc[nH+]1 ZINC000631299902 412346815 /nfs/dbraw/zinc/34/68/15/412346815.db2.gz SRCLFYUBKVLWCT-JTQLQIEISA-N 1 2 248.330 1.367 20 0 BDADLO CCCCc1cc(NCCOCCO)nc[nH+]1 ZINC000631035963 412347587 /nfs/dbraw/zinc/34/75/87/412347587.db2.gz ZKXHZSOSJRFXNI-UHFFFAOYSA-N 1 2 239.319 1.240 20 0 BDADLO CNC(=O)c1sc(Cn2cc[nH+]c2)nc1C ZINC000663220109 412394404 /nfs/dbraw/zinc/39/44/04/412394404.db2.gz NPBZFMCLNMAURE-UHFFFAOYSA-N 1 2 236.300 1.056 20 0 BDADLO CCc1nc([C@H](C)[NH2+][C@H](CC)C(N)=O)cs1 ZINC000112547172 172007284 /nfs/dbraw/zinc/00/72/84/172007284.db2.gz CQLCMMWDDVWMKJ-JGVFFNPUSA-N 1 2 241.360 1.620 20 0 BDADLO CCc1ncc(C[N@@H+]2CC[C@](F)(CO)C2)s1 ZINC000338997999 172017099 /nfs/dbraw/zinc/01/70/99/172017099.db2.gz ZRSAMTRZIUITDD-LLVKDONJSA-N 1 2 244.335 1.612 20 0 BDADLO CCc1ncc(C[N@H+]2CC[C@](F)(CO)C2)s1 ZINC000338997999 172017102 /nfs/dbraw/zinc/01/71/02/172017102.db2.gz ZRSAMTRZIUITDD-LLVKDONJSA-N 1 2 244.335 1.612 20 0 BDADLO CCc1ncsc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000132316222 172036236 /nfs/dbraw/zinc/03/62/36/172036236.db2.gz UOYIPFDUGNHOFP-SECBINFHSA-N 1 2 239.344 1.738 20 0 BDADLO CCc1ncsc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000132316222 172036239 /nfs/dbraw/zinc/03/62/39/172036239.db2.gz UOYIPFDUGNHOFP-SECBINFHSA-N 1 2 239.344 1.738 20 0 BDADLO CCc1nn(C)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000345347713 172041638 /nfs/dbraw/zinc/04/16/38/172041638.db2.gz LPOBSPLKQPJLQN-GFCCVEGCSA-N 1 2 245.330 1.414 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC23CCC3)n1C ZINC000336555920 172047510 /nfs/dbraw/zinc/04/75/10/172047510.db2.gz BTPQXVKATFGENJ-UHFFFAOYSA-N 1 2 220.320 1.506 20 0 BDADLO CCc1nnc(C[N@H+]2CCC23CCC3)n1C ZINC000336555920 172047513 /nfs/dbraw/zinc/04/75/13/172047513.db2.gz BTPQXVKATFGENJ-UHFFFAOYSA-N 1 2 220.320 1.506 20 0 BDADLO CCc1nnc(C[N@@H+]2CCOC[C@H](C)C2)o1 ZINC000371099621 172049954 /nfs/dbraw/zinc/04/99/54/172049954.db2.gz LUGFLYHXGYPBTQ-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nnc(C[N@H+]2CCOC[C@H](C)C2)o1 ZINC000371099621 172049956 /nfs/dbraw/zinc/04/99/56/172049956.db2.gz LUGFLYHXGYPBTQ-SECBINFHSA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nnc(C[NH2+]Cc2ccccn2)s1 ZINC000336781803 172051845 /nfs/dbraw/zinc/05/18/45/172051845.db2.gz VSBLANINLCISNR-UHFFFAOYSA-N 1 2 234.328 1.785 20 0 BDADLO CCc1nnc(CNc2cc(C)[nH+]cn2)s1 ZINC000336777346 172052642 /nfs/dbraw/zinc/05/26/42/172052642.db2.gz IEYOSGLAUUFARP-UHFFFAOYSA-N 1 2 235.316 1.233 20 0 BDADLO CCc1noc([C@H](C)[N@H+](CC)CCO)n1 ZINC000118835322 172091119 /nfs/dbraw/zinc/09/11/19/172091119.db2.gz ULCVQZCYBRLTRY-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](CC)CCO)n1 ZINC000118835322 172091121 /nfs/dbraw/zinc/09/11/21/172091121.db2.gz ULCVQZCYBRLTRY-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CCCO)n1 ZINC000331310278 172091379 /nfs/dbraw/zinc/09/13/79/172091379.db2.gz UQYDWEVINNERTL-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CCCO)n1 ZINC000331310278 172091382 /nfs/dbraw/zinc/09/13/82/172091382.db2.gz UQYDWEVINNERTL-QMMMGPOBSA-N 1 2 213.281 1.007 20 0 BDADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)n1 ZINC000274030758 172091658 /nfs/dbraw/zinc/09/16/58/172091658.db2.gz MKOCGBHVABDFJT-SFYZADRCSA-N 1 2 235.291 1.767 20 0 BDADLO CCc1nsc(NCc2[nH+]ccn2C)n1 ZINC000083668845 172106495 /nfs/dbraw/zinc/10/64/95/172106495.db2.gz HWKVQKUIRMBZLH-UHFFFAOYSA-N 1 2 223.305 1.446 20 0 BDADLO CCn1cc(CNc2cc(C)[nH+]cn2)cn1 ZINC000336778233 172167259 /nfs/dbraw/zinc/16/72/59/172167259.db2.gz KTORVRZCBKVKRJ-UHFFFAOYSA-N 1 2 217.276 1.035 20 0 BDADLO CCn1cc(C[NH2+]C(C)(C)c2nc(C)no2)cn1 ZINC000283951598 172169679 /nfs/dbraw/zinc/16/96/79/172169679.db2.gz KFOOBTZFCKSQRY-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2nccn2C)cn1 ZINC000353970747 172173944 /nfs/dbraw/zinc/17/39/44/172173944.db2.gz FIGMMAAISREPQY-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO CCn1cc(N[C@H]2CCn3cc[nH+]c32)cn1 ZINC000294067080 172187869 /nfs/dbraw/zinc/18/78/69/172187869.db2.gz KMDXSFHBYARFQJ-JTQLQIEISA-N 1 2 217.276 1.656 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCOCC[C@H]1C ZINC000374991310 172220883 /nfs/dbraw/zinc/22/08/83/172220883.db2.gz QQHOGUXYCXCXQC-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCOCC[C@H]1C ZINC000374991310 172220884 /nfs/dbraw/zinc/22/08/84/172220884.db2.gz QQHOGUXYCXCXQC-LLVKDONJSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1ccncc1C ZINC000295510286 172222056 /nfs/dbraw/zinc/22/20/56/172222056.db2.gz HLPDRSKHPRLYOM-UHFFFAOYSA-N 1 2 244.298 1.536 20 0 BDADLO CCn1cc[nH+]c1CNC(C)(C)c1nc(C)no1 ZINC000341266505 172222208 /nfs/dbraw/zinc/22/22/08/172222208.db2.gz IHDGRVMCBRSHOR-UHFFFAOYSA-N 1 2 249.318 1.619 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1n[nH]c(C)c1C ZINC000295888529 172222544 /nfs/dbraw/zinc/22/25/44/172222544.db2.gz YZHGOADBMKJPBA-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)c1cscn1 ZINC000295798904 172223007 /nfs/dbraw/zinc/22/30/07/172223007.db2.gz ROLBNVBHYGGMRF-UHFFFAOYSA-N 1 2 236.300 1.290 20 0 BDADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(N)=O ZINC000280414287 172230696 /nfs/dbraw/zinc/23/06/96/172230696.db2.gz PXXODBNNOOPIEJ-SECBINFHSA-N 1 2 222.292 1.509 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000230751348 172237128 /nfs/dbraw/zinc/23/71/28/172237128.db2.gz DZWYIQFXXZDPSQ-SNVBAGLBSA-N 1 2 246.314 1.854 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1cc(C)no1 ZINC000340204011 172263031 /nfs/dbraw/zinc/26/30/31/172263031.db2.gz WLSYFHFORGUMFN-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1cc(C)no1 ZINC000340204011 172263033 /nfs/dbraw/zinc/26/30/33/172263033.db2.gz WLSYFHFORGUMFN-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367458065 172278402 /nfs/dbraw/zinc/27/84/02/172278402.db2.gz IYXPXXVBSGRTHZ-LBPRGKRZSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1ncnc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000367458065 172278406 /nfs/dbraw/zinc/27/84/06/172278406.db2.gz IYXPXXVBSGRTHZ-LBPRGKRZSA-N 1 2 236.319 1.053 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccsc1C ZINC000339379123 172281933 /nfs/dbraw/zinc/28/19/33/172281933.db2.gz GBQRXGWNRFDORD-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000336566227 172329244 /nfs/dbraw/zinc/32/92/44/172329244.db2.gz OVNVQKRWUFGZOX-GHMZBOCLSA-N 1 2 247.342 1.702 20 0 BDADLO CN(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000068552956 172340888 /nfs/dbraw/zinc/34/08/88/172340888.db2.gz YPMSRHBZVMXWOV-UHFFFAOYSA-N 1 2 215.256 1.569 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccno1 ZINC000372991359 172909662 /nfs/dbraw/zinc/90/96/62/172909662.db2.gz RUYXMXISPGXHGJ-UHFFFAOYSA-N 1 2 246.314 1.839 20 0 BDADLO C[NH+]1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000039170983 173074104 /nfs/dbraw/zinc/07/41/04/173074104.db2.gz PRYUKXHQOLBCRH-UHFFFAOYSA-N 1 2 239.706 1.123 20 0 BDADLO CN1CC[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000133896644 173121714 /nfs/dbraw/zinc/12/17/14/173121714.db2.gz SWHRNFVAQRSJOW-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO CN1CC[C@@H]([N@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000133896644 173121717 /nfs/dbraw/zinc/12/17/17/173121717.db2.gz SWHRNFVAQRSJOW-CYBMUJFWSA-N 1 2 248.301 1.415 20 0 BDADLO C[N@@H+]1CCc2nc(NC(=O)C3CC3)sc2C1 ZINC000023802472 173175364 /nfs/dbraw/zinc/17/53/64/173175364.db2.gz KPHUXUBGUIZJRX-UHFFFAOYSA-N 1 2 237.328 1.480 20 0 BDADLO C[N@H+]1CCc2nc(NC(=O)C3CC3)sc2C1 ZINC000023802472 173175367 /nfs/dbraw/zinc/17/53/67/173175367.db2.gz KPHUXUBGUIZJRX-UHFFFAOYSA-N 1 2 237.328 1.480 20 0 BDADLO CN1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CCC1=O ZINC000150878778 173196088 /nfs/dbraw/zinc/19/60/88/173196088.db2.gz RWFFWBJQYFIJMV-SNVBAGLBSA-N 1 2 246.314 1.387 20 0 BDADLO CNC(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000175988751 173285520 /nfs/dbraw/zinc/28/55/20/173285520.db2.gz NHXQVTGCNJWUFB-LLVKDONJSA-N 1 2 248.330 1.100 20 0 BDADLO C[NH2+]Cc1noc(Cc2ccc(F)cc2)n1 ZINC000051848488 173399770 /nfs/dbraw/zinc/39/97/70/173399770.db2.gz MPUNCGGEKXMKLP-UHFFFAOYSA-N 1 2 221.235 1.519 20 0 BDADLO COC(=O)[C@@H]([NH2+]Cc1ccccc1)C1CC1 ZINC000041047498 173711336 /nfs/dbraw/zinc/71/13/36/173711336.db2.gz MAOFRVAWNYNGOV-LBPRGKRZSA-N 1 2 219.284 1.728 20 0 BDADLO COC(=O)[C@@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC000268358448 173759272 /nfs/dbraw/zinc/75/92/72/173759272.db2.gz WEQXQJSJJPPAHG-LBPRGKRZSA-N 1 2 235.287 1.174 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662227794 487627975 /nfs/dbraw/zinc/62/79/75/487627975.db2.gz QWODIKWZKFTRSM-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662227794 487627981 /nfs/dbraw/zinc/62/79/81/487627981.db2.gz QWODIKWZKFTRSM-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO COC1(c2noc(Cn3cc[nH+]c3)n2)CCCC1 ZINC000278161702 174011748 /nfs/dbraw/zinc/01/17/48/174011748.db2.gz SJGOBHRGVYVFEU-UHFFFAOYSA-N 1 2 248.286 1.730 20 0 BDADLO COC1CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354415379 174036256 /nfs/dbraw/zinc/03/62/56/174036256.db2.gz GHSFIBQXILFSGL-UHFFFAOYSA-N 1 2 207.277 1.237 20 0 BDADLO COCC1=CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000356567237 174114787 /nfs/dbraw/zinc/11/47/87/174114787.db2.gz PNCSIBWCIXSQGO-UHFFFAOYSA-N 1 2 249.314 1.078 20 0 BDADLO COCC1=CC[N@H+](CC(=O)c2cccn2C)CC1 ZINC000185847894 174115297 /nfs/dbraw/zinc/11/52/97/174115297.db2.gz QWWVJLDYEOZKTE-UHFFFAOYSA-N 1 2 248.326 1.486 20 0 BDADLO COCC1=CC[N@@H+](CC(=O)c2cccn2C)CC1 ZINC000185847894 174115300 /nfs/dbraw/zinc/11/53/00/174115300.db2.gz QWWVJLDYEOZKTE-UHFFFAOYSA-N 1 2 248.326 1.486 20 0 BDADLO COCCC(=O)NCCCNc1cccc[nH+]1 ZINC000118725343 174128801 /nfs/dbraw/zinc/12/88/01/174128801.db2.gz BXCVINZMJZSODF-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO COCCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287736 174240163 /nfs/dbraw/zinc/24/01/63/174240163.db2.gz DCGHSRDDQPXTOF-UHFFFAOYSA-N 1 2 247.298 1.030 20 0 BDADLO COCCCSCCn1cc[nH+]c1 ZINC000187909230 174259144 /nfs/dbraw/zinc/25/91/44/174259144.db2.gz ZXERFIZQHXRXFP-UHFFFAOYSA-N 1 2 200.307 1.653 20 0 BDADLO COCCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000264001676 174273707 /nfs/dbraw/zinc/27/37/07/174273707.db2.gz LFFUWNXVDDIZDX-UHFFFAOYSA-N 1 2 233.271 1.053 20 0 BDADLO COCC[N@H+](C)Cc1nccn1C(F)F ZINC000298694420 174280393 /nfs/dbraw/zinc/28/03/93/174280393.db2.gz DYLXOVJRVAYDJY-UHFFFAOYSA-N 1 2 219.235 1.356 20 0 BDADLO COCC[N@@H+](C)Cc1nccn1C(F)F ZINC000298694420 174280394 /nfs/dbraw/zinc/28/03/94/174280394.db2.gz DYLXOVJRVAYDJY-UHFFFAOYSA-N 1 2 219.235 1.356 20 0 BDADLO COCCN(Cc1ccco1)Cc1[nH+]ccn1C ZINC000299542491 174301187 /nfs/dbraw/zinc/30/11/87/174301187.db2.gz PEDCWXZBZPMHTE-UHFFFAOYSA-N 1 2 249.314 1.662 20 0 BDADLO COCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157520781 174311782 /nfs/dbraw/zinc/31/17/82/174311782.db2.gz RCZUYXDAYVXFOZ-JTQLQIEISA-N 1 2 227.329 1.768 20 0 BDADLO COCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157520781 174311783 /nfs/dbraw/zinc/31/17/83/174311783.db2.gz RCZUYXDAYVXFOZ-JTQLQIEISA-N 1 2 227.329 1.768 20 0 BDADLO COCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116893558 174312139 /nfs/dbraw/zinc/31/21/39/174312139.db2.gz TUUBTUCCKLWRDP-NSHDSACASA-N 1 2 225.288 1.608 20 0 BDADLO COCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116893558 174312140 /nfs/dbraw/zinc/31/21/40/174312140.db2.gz TUUBTUCCKLWRDP-NSHDSACASA-N 1 2 225.288 1.608 20 0 BDADLO COCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011800 174318594 /nfs/dbraw/zinc/31/85/94/174318594.db2.gz ORSMJQUUVBNAPM-UHFFFAOYSA-N 1 2 219.284 1.851 20 0 BDADLO COCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011800 174318596 /nfs/dbraw/zinc/31/85/96/174318596.db2.gz ORSMJQUUVBNAPM-UHFFFAOYSA-N 1 2 219.284 1.851 20 0 BDADLO COCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000041147259 174341626 /nfs/dbraw/zinc/34/16/26/174341626.db2.gz HAJSLQQQYQGJDT-UHFFFAOYSA-N 1 2 246.314 1.754 20 0 BDADLO COCCNc1cc[nH+]c2ccncc12 ZINC000309053095 174341823 /nfs/dbraw/zinc/34/18/23/174341823.db2.gz SBRIENYHCVGBNI-UHFFFAOYSA-N 1 2 203.245 1.688 20 0 BDADLO COCCOCC[N@H+](C)Cc1ncc(C)s1 ZINC000289138802 174352400 /nfs/dbraw/zinc/35/24/00/174352400.db2.gz YKBRPEHXFSAZFM-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO COCCOCC[N@@H+](C)Cc1ncc(C)s1 ZINC000289138802 174352404 /nfs/dbraw/zinc/35/24/04/174352404.db2.gz YKBRPEHXFSAZFM-UHFFFAOYSA-N 1 2 244.360 1.546 20 0 BDADLO COCCOc1ncccc1NCc1[nH]cc[nH+]1 ZINC000119296623 174370860 /nfs/dbraw/zinc/37/08/60/174370860.db2.gz XVBJFYYYOIWJKK-UHFFFAOYSA-N 1 2 248.286 1.442 20 0 BDADLO COCCSc1[nH+]cnc2[nH]ccc21 ZINC000266462372 174377768 /nfs/dbraw/zinc/37/77/68/174377768.db2.gz MGYBJKYZAIPLKM-UHFFFAOYSA-N 1 2 209.274 1.696 20 0 BDADLO COCC[C@@H](COC)Nc1cc(C)[nH+]cn1 ZINC000336696698 174392332 /nfs/dbraw/zinc/39/23/32/174392332.db2.gz YVMRYABAMCXWNJ-JTQLQIEISA-N 1 2 225.292 1.248 20 0 BDADLO COCC[C@@H]1COCC[N@@H+]1Cc1cnoc1C ZINC000365847926 174398427 /nfs/dbraw/zinc/39/84/27/174398427.db2.gz PFVYXUMSGGVCRL-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCC[C@@H]1COCC[N@H+]1Cc1cnoc1C ZINC000365847926 174398429 /nfs/dbraw/zinc/39/84/29/174398429.db2.gz PFVYXUMSGGVCRL-GFCCVEGCSA-N 1 2 240.303 1.220 20 0 BDADLO COCc1nc(C[N@@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000332734351 174641514 /nfs/dbraw/zinc/64/15/14/174641514.db2.gz VJOLOLISZSEIRF-BDAKNGLRSA-N 1 2 225.292 1.446 20 0 BDADLO COCc1nc(C[N@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000332734351 174641517 /nfs/dbraw/zinc/64/15/17/174641517.db2.gz VJOLOLISZSEIRF-BDAKNGLRSA-N 1 2 225.292 1.446 20 0 BDADLO COc1cc2[nH]c(CCO)[nH+]c2cc1OC ZINC000075976624 175028371 /nfs/dbraw/zinc/02/83/71/175028371.db2.gz GXCUEWPQLJFVGZ-UHFFFAOYSA-N 1 2 222.244 1.115 20 0 BDADLO COc1ccc(-c2cccc(N)[nH+]2)cn1 ZINC000044272154 175034966 /nfs/dbraw/zinc/03/49/66/175034966.db2.gz XDGUKGXUYCHVTF-UHFFFAOYSA-N 1 2 201.229 1.734 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1C ZINC000295051322 175098432 /nfs/dbraw/zinc/09/84/32/175098432.db2.gz PNURYVIXXZOELS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1C ZINC000295051322 175098433 /nfs/dbraw/zinc/09/84/33/175098433.db2.gz PNURYVIXXZOELS-LLVKDONJSA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)nc1 ZINC000338269949 175101093 /nfs/dbraw/zinc/10/10/93/175101093.db2.gz IVNDTFLYBULCSZ-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)nc1 ZINC000338269949 175101096 /nfs/dbraw/zinc/10/10/96/175101096.db2.gz IVNDTFLYBULCSZ-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368327169 175101412 /nfs/dbraw/zinc/10/14/12/175101412.db2.gz FOKRDXSNCPKLGD-QWHCGFSZSA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368327169 175101413 /nfs/dbraw/zinc/10/14/13/175101413.db2.gz FOKRDXSNCPKLGD-QWHCGFSZSA-N 1 2 219.284 1.668 20 0 BDADLO COc1ccc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000267163167 175102023 /nfs/dbraw/zinc/10/20/23/175102023.db2.gz AODAHYBFEKUWHC-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000267163167 175102025 /nfs/dbraw/zinc/10/20/25/175102025.db2.gz AODAHYBFEKUWHC-UHFFFAOYSA-N 1 2 236.315 1.701 20 0 BDADLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000363427574 175103118 /nfs/dbraw/zinc/10/31/18/175103118.db2.gz XPUXGKLAKRZHIT-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000363427574 175103119 /nfs/dbraw/zinc/10/31/19/175103119.db2.gz XPUXGKLAKRZHIT-TXEJJXNPSA-N 1 2 234.299 1.453 20 0 BDADLO COc1ccc(C[NH2+]Cc2ncc[nH]2)c(OC)n1 ZINC000289681211 175107983 /nfs/dbraw/zinc/10/79/83/175107983.db2.gz SCHCAYYUHHTBPZ-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO COc1ccc(CNCc2[nH]cc[nH+]2)c(OC)n1 ZINC000289681211 175107984 /nfs/dbraw/zinc/10/79/84/175107984.db2.gz SCHCAYYUHHTBPZ-UHFFFAOYSA-N 1 2 248.286 1.112 20 0 BDADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc[nH]2)cc1 ZINC000037919312 175177411 /nfs/dbraw/zinc/17/74/11/175177411.db2.gz YQLTWHVPABDQNH-SECBINFHSA-N 1 2 232.287 1.664 20 0 BDADLO COc1ccc2[nH+]c(C)nc(NCCCO)c2c1 ZINC000301947641 175227563 /nfs/dbraw/zinc/22/75/63/175227563.db2.gz HPXXBOICWZWYEK-UHFFFAOYSA-N 1 2 247.298 1.741 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2cnn(C)c2)n1 ZINC000172007381 175255046 /nfs/dbraw/zinc/25/50/46/175255046.db2.gz WUCXRQVYQPTFFY-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2cnn(C)c2)n1 ZINC000172007381 175255052 /nfs/dbraw/zinc/25/50/52/175255052.db2.gz WUCXRQVYQPTFFY-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000368888286 175260060 /nfs/dbraw/zinc/26/00/60/175260060.db2.gz LMAMTWDPLKKQJX-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H](C3CC3)C2)n1 ZINC000368888286 175260062 /nfs/dbraw/zinc/26/00/62/175260062.db2.gz LMAMTWDPLKKQJX-CYBMUJFWSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cccc(C[N@@H+]2CCOC[C@H]2C)n1 ZINC000264842550 175260220 /nfs/dbraw/zinc/26/02/20/175260220.db2.gz WJRWHOSFDOBVMX-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[N@H+]2CCOC[C@H]2C)n1 ZINC000264842550 175260221 /nfs/dbraw/zinc/26/02/21/175260221.db2.gz WJRWHOSFDOBVMX-SNVBAGLBSA-N 1 2 222.288 1.311 20 0 BDADLO COc1cccc(C[NH2+]Cc2ccc(F)cn2)n1 ZINC000359672691 175266210 /nfs/dbraw/zinc/26/62/10/175266210.db2.gz NHLREGGZBAUREG-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO COc1cccc([C@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184704034 175292646 /nfs/dbraw/zinc/29/26/46/175292646.db2.gz JFYNMECDGHHCDE-VIFPVBQESA-N 1 2 245.269 1.973 20 0 BDADLO COc1cccc2c(N3CC[C@@H](O)C3)cc[nH+]c12 ZINC000275512183 175300486 /nfs/dbraw/zinc/30/04/86/175300486.db2.gz NLJATHVZSUVAMU-SNVBAGLBSA-N 1 2 244.294 1.814 20 0 BDADLO COc1ccccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000294962534 175326477 /nfs/dbraw/zinc/32/64/77/175326477.db2.gz IKCAMGCEQSGQKU-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000294962534 175326480 /nfs/dbraw/zinc/32/64/80/175326480.db2.gz IKCAMGCEQSGQKU-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccccc1OC(=O)C[NH+](C)C ZINC000263875319 175339916 /nfs/dbraw/zinc/33/99/16/175339916.db2.gz GRKGTCHJMYQXLM-UHFFFAOYSA-N 1 2 209.245 1.162 20 0 BDADLO COc1cc[nH+]c(CN2CCC(=O)[C@@H](C)C2)c1 ZINC000283342523 175358743 /nfs/dbraw/zinc/35/87/43/175358743.db2.gz ZUNCVBVJFCQVIP-JTQLQIEISA-N 1 2 234.299 1.501 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@H](C3CC3)C2)c1 ZINC000362563427 175359271 /nfs/dbraw/zinc/35/92/71/175359271.db2.gz YZUZVEALEHKKJB-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362563427 175359273 /nfs/dbraw/zinc/35/92/73/175359273.db2.gz YZUZVEALEHKKJB-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362563427 175359275 /nfs/dbraw/zinc/35/92/75/175359275.db2.gz YZUZVEALEHKKJB-AWEZNQCLSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc[nH+]c(CN2CCc3n[nH]cc3C2)c1 ZINC000273216311 175359710 /nfs/dbraw/zinc/35/97/10/175359710.db2.gz UPDCMAKRQKZFOH-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NCC1CCC1 ZINC000292954666 175370549 /nfs/dbraw/zinc/37/05/49/175370549.db2.gz JUNZUUAJXJCHAE-UHFFFAOYSA-N 1 2 249.314 1.690 20 0 BDADLO COc1ccncc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000287295513 175370582 /nfs/dbraw/zinc/37/05/82/175370582.db2.gz MJQBULNYXCLCSM-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccncc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000294466237 175372327 /nfs/dbraw/zinc/37/23/27/175372327.db2.gz WJSQENMYSNSHAH-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1cc[nH+]cc1Cn1cc(C)cn1 ZINC000288557049 175373689 /nfs/dbraw/zinc/37/36/89/175373689.db2.gz JHGUPRJCQDONDL-UHFFFAOYSA-N 1 2 203.245 1.643 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]1C(F)F ZINC000337941513 175374560 /nfs/dbraw/zinc/37/45/60/175374560.db2.gz QZWQJTFOUGRAJQ-NKWVEPMBSA-N 1 2 242.225 1.930 20 0 BDADLO COc1ccsc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338996533 175377774 /nfs/dbraw/zinc/37/77/74/175377774.db2.gz LHZVEUIPKFIBMT-LLVKDONJSA-N 1 2 245.319 1.663 20 0 BDADLO COc1ccsc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338996533 175377776 /nfs/dbraw/zinc/37/77/76/175377776.db2.gz LHZVEUIPKFIBMT-LLVKDONJSA-N 1 2 245.319 1.663 20 0 BDADLO COc1ncc(C[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000337126800 175399335 /nfs/dbraw/zinc/39/93/35/175399335.db2.gz GIFFZAZUIVTUQL-VIFPVBQESA-N 1 2 237.303 1.014 20 0 BDADLO COc1ncc(C[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000337126800 175399338 /nfs/dbraw/zinc/39/93/38/175399338.db2.gz GIFFZAZUIVTUQL-VIFPVBQESA-N 1 2 237.303 1.014 20 0 BDADLO C[C@@H](CO)CSCc1c[nH+]cn1C ZINC000085191626 175745170 /nfs/dbraw/zinc/74/51/70/175745170.db2.gz LUUKTDGPVLBITG-QMMMGPOBSA-N 1 2 200.307 1.282 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccnc1F ZINC000235145726 175782321 /nfs/dbraw/zinc/78/23/21/175782321.db2.gz WQXPLRPEXUAXHF-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000276618916 175823507 /nfs/dbraw/zinc/82/35/07/175823507.db2.gz QLZQXVHYYUKFDG-IPFDCLDFSA-N 1 2 235.287 1.107 20 0 BDADLO C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CC(N)=O ZINC000359833005 176018214 /nfs/dbraw/zinc/01/82/14/176018214.db2.gz DTRJUGUQRSJDGH-ZETCQYMHSA-N 1 2 244.697 1.957 20 0 BDADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+](C)CC(N)=O ZINC000359833005 176018215 /nfs/dbraw/zinc/01/82/15/176018215.db2.gz DTRJUGUQRSJDGH-ZETCQYMHSA-N 1 2 244.697 1.957 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CCCC1 ZINC000179167758 176026869 /nfs/dbraw/zinc/02/68/69/176026869.db2.gz FDHKMSSNKWMHBB-LBPRGKRZSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000179167758 176026870 /nfs/dbraw/zinc/02/68/70/176026870.db2.gz FDHKMSSNKWMHBB-LBPRGKRZSA-N 1 2 247.342 1.697 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cnnn1C ZINC000273442786 176029216 /nfs/dbraw/zinc/02/92/16/176029216.db2.gz WTWROSWZICNYJJ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cnnn1C ZINC000273442786 176029218 /nfs/dbraw/zinc/02/92/18/176029218.db2.gz WTWROSWZICNYJJ-JTQLQIEISA-N 1 2 231.303 1.403 20 0 BDADLO C[C@@H](c1cccnc1)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336505710 176029868 /nfs/dbraw/zinc/02/98/68/176029868.db2.gz KRGBSSSYDZHEJC-NSHDSACASA-N 1 2 245.326 1.449 20 0 BDADLO C[C@@H](c1cccnc1)[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336505710 176029869 /nfs/dbraw/zinc/02/98/69/176029869.db2.gz KRGBSSSYDZHEJC-NSHDSACASA-N 1 2 245.326 1.449 20 0 BDADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332685349 176051258 /nfs/dbraw/zinc/05/12/58/176051258.db2.gz ULCKTOAEFRWLGI-SSDOTTSWSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332685349 176051259 /nfs/dbraw/zinc/05/12/59/176051259.db2.gz ULCKTOAEFRWLGI-SSDOTTSWSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1CC=CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000341174155 176058677 /nfs/dbraw/zinc/05/86/77/176058677.db2.gz PACBVKSRBPZVHS-NEPJUHHUSA-N 1 2 233.315 1.602 20 0 BDADLO C[C@@H]1CCCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335027355 176064704 /nfs/dbraw/zinc/06/47/04/176064704.db2.gz GDXNFQVTKQUWOY-NXEZZACHSA-N 1 2 246.301 1.632 20 0 BDADLO C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000363212731 176094259 /nfs/dbraw/zinc/09/42/59/176094259.db2.gz XSKIYQXXFSQRMW-NEPJUHHUSA-N 1 2 247.342 1.704 20 0 BDADLO C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119115071 176106088 /nfs/dbraw/zinc/10/60/88/176106088.db2.gz NLRMUZCNBILPMT-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000336081546 176135292 /nfs/dbraw/zinc/13/52/92/176135292.db2.gz CBUAVTRENJXPLR-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000336081546 176135296 /nfs/dbraw/zinc/13/52/96/176135296.db2.gz CBUAVTRENJXPLR-ZJUUUORDSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H](C)C1 ZINC000331700920 176177003 /nfs/dbraw/zinc/17/70/03/176177003.db2.gz ZLGQRPGZTMPVFL-BDAKNGLRSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C[C@@H](C)C1 ZINC000331700920 176177004 /nfs/dbraw/zinc/17/70/04/176177004.db2.gz ZLGQRPGZTMPVFL-BDAKNGLRSA-N 1 2 224.308 1.378 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCC(F)(F)C2)O1 ZINC000336624989 176203192 /nfs/dbraw/zinc/20/31/92/176203192.db2.gz PEKROQPZQOKKER-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+]2CCC(F)(F)C2)O1 ZINC000336624989 176203193 /nfs/dbraw/zinc/20/31/93/176203193.db2.gz PEKROQPZQOKKER-BDAKNGLRSA-N 1 2 205.248 1.895 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339169685 176210352 /nfs/dbraw/zinc/21/03/52/176210352.db2.gz YLBNZLZGDGNNLZ-GHMZBOCLSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000356794993 176210497 /nfs/dbraw/zinc/21/04/97/176210497.db2.gz DFFNQYRUDJBCBS-NXEZZACHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1CC[C@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000357178729 176228019 /nfs/dbraw/zinc/22/80/19/176228019.db2.gz AEUNOLLMWNVZBH-MNOVXSKESA-N 1 2 235.331 1.989 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000357475910 176255476 /nfs/dbraw/zinc/25/54/76/176255476.db2.gz VXJZYERBPFIAPH-GMTAPVOTSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)[C@@H]1C ZINC000339580970 176282869 /nfs/dbraw/zinc/28/28/69/176282869.db2.gz MQLOMQRKIONBNO-HTQZYQBOSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)[C@@H]1C ZINC000339580970 176282870 /nfs/dbraw/zinc/28/28/70/176282870.db2.gz MQLOMQRKIONBNO-HTQZYQBOSA-N 1 2 238.253 1.347 20 0 BDADLO C[C@@H]1C[N@H+](CCN2CCC(F)(F)C2)CCO1 ZINC000336353817 176291721 /nfs/dbraw/zinc/29/17/21/176291721.db2.gz PASNISCAEHOVBN-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO C[C@@H]1C[N@@H+](CCN2CCC(F)(F)C2)CCO1 ZINC000336353817 176291724 /nfs/dbraw/zinc/29/17/24/176291724.db2.gz PASNISCAEHOVBN-SNVBAGLBSA-N 1 2 234.290 1.048 20 0 BDADLO C[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)CCC1=O ZINC000338565872 176292454 /nfs/dbraw/zinc/29/24/54/176292454.db2.gz BWOQPFRWYOTCEI-DGCLKSJQSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CCC1=O ZINC000338565872 176292455 /nfs/dbraw/zinc/29/24/55/176292455.db2.gz BWOQPFRWYOTCEI-DGCLKSJQSA-N 1 2 241.331 1.441 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@H](C)CO1 ZINC000092017869 176302918 /nfs/dbraw/zinc/30/29/18/176302918.db2.gz PUWKEXUNLOWYBK-NXEZZACHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@H](C)CO1 ZINC000092017869 176302919 /nfs/dbraw/zinc/30/29/19/176302919.db2.gz PUWKEXUNLOWYBK-NXEZZACHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000351805870 176312124 /nfs/dbraw/zinc/31/21/24/176312124.db2.gz CZZXEWFZWNRLPS-HTQZYQBOSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@H]1O ZINC000351805870 176312127 /nfs/dbraw/zinc/31/21/27/176312127.db2.gz CZZXEWFZWNRLPS-HTQZYQBOSA-N 1 2 231.246 1.091 20 0 BDADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1O ZINC000351500872 176320590 /nfs/dbraw/zinc/32/05/90/176320590.db2.gz GQHWIFRHRXZTIA-LDYMZIIASA-N 1 2 217.272 1.380 20 0 BDADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1O ZINC000351510115 176320867 /nfs/dbraw/zinc/32/08/67/176320867.db2.gz OLEYKGQKXLUJIO-BXKDBHETSA-N 1 2 231.299 1.390 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CCCC1 ZINC000355075122 176336111 /nfs/dbraw/zinc/33/61/11/176336111.db2.gz WBTMKPZRIWOODC-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1CCCC1 ZINC000355075122 176336113 /nfs/dbraw/zinc/33/61/13/176336113.db2.gz WBTMKPZRIWOODC-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000091814792 176337104 /nfs/dbraw/zinc/33/71/04/176337104.db2.gz HTXABEYJVYATCE-SNVBAGLBSA-N 1 2 235.283 1.636 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc2c1OCO2 ZINC000091814792 176337105 /nfs/dbraw/zinc/33/71/05/176337105.db2.gz HTXABEYJVYATCE-SNVBAGLBSA-N 1 2 235.283 1.636 20 0 BDADLO C[C@@H]1COCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000286995600 176338276 /nfs/dbraw/zinc/33/82/76/176338276.db2.gz UJZCIDVIAZZYDT-WUNPDAOYSA-N 1 2 249.314 1.212 20 0 BDADLO C[N@H+](CCCNC(=O)C1CCC1)CC(F)F ZINC000683228359 487633691 /nfs/dbraw/zinc/63/36/91/487633691.db2.gz ODLQBLHNZBLWOP-UHFFFAOYSA-N 1 2 234.290 1.490 20 0 BDADLO C[N@@H+](CCCNC(=O)C1CCC1)CC(F)F ZINC000683228359 487633695 /nfs/dbraw/zinc/63/36/95/487633695.db2.gz ODLQBLHNZBLWOP-UHFFFAOYSA-N 1 2 234.290 1.490 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375941496 176385387 /nfs/dbraw/zinc/38/53/87/176385387.db2.gz LNYMLIBISINWDL-UTUOFQBUSA-N 1 2 247.342 1.782 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374349508 176385411 /nfs/dbraw/zinc/38/54/11/176385411.db2.gz ZKFNSOLUFAAUSJ-KGYLQXTDSA-N 1 2 245.326 1.211 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374349516 176431492 /nfs/dbraw/zinc/43/14/92/176431492.db2.gz ZKFNSOLUFAAUSJ-RTXFEEFZSA-N 1 2 245.326 1.211 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000309318236 177001240 /nfs/dbraw/zinc/00/12/40/177001240.db2.gz PTFDUENTDKDDOS-GXSJLCMTSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000309318236 177001241 /nfs/dbraw/zinc/00/12/41/177001241.db2.gz PTFDUENTDKDDOS-GXSJLCMTSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@H](O)C[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276508266 177001511 /nfs/dbraw/zinc/00/15/11/177001511.db2.gz AUYQKXQILDKWHQ-KOBKQOIESA-N 1 2 249.314 1.185 20 0 BDADLO C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372604 177043813 /nfs/dbraw/zinc/04/38/13/177043813.db2.gz OLAXPHCOMQGOSM-UTUOFQBUSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@H](c1ccccn1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372604 177043814 /nfs/dbraw/zinc/04/38/14/177043814.db2.gz OLAXPHCOMQGOSM-UTUOFQBUSA-N 1 2 234.299 1.242 20 0 BDADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(C)C ZINC000075638892 177044760 /nfs/dbraw/zinc/04/47/60/177044760.db2.gz STFIGJKHHSFRPY-SNVBAGLBSA-N 1 2 221.304 1.163 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(C)C ZINC000075638892 177044762 /nfs/dbraw/zinc/04/47/62/177044762.db2.gz STFIGJKHHSFRPY-SNVBAGLBSA-N 1 2 221.304 1.163 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CCCS(C)(=O)=O ZINC000103141732 177047632 /nfs/dbraw/zinc/04/76/32/177047632.db2.gz DPNNXUCNDBPZNA-SNVBAGLBSA-N 1 2 245.344 1.707 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CCCS(C)(=O)=O ZINC000103141732 177047635 /nfs/dbraw/zinc/04/76/35/177047635.db2.gz DPNNXUCNDBPZNA-SNVBAGLBSA-N 1 2 245.344 1.707 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCCc1ccsc1 ZINC000360892560 177059467 /nfs/dbraw/zinc/05/94/67/177059467.db2.gz OWNKZQWAQRYXKS-JTQLQIEISA-N 1 2 238.356 1.501 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccsc1 ZINC000360892560 177059469 /nfs/dbraw/zinc/05/94/69/177059469.db2.gz OWNKZQWAQRYXKS-JTQLQIEISA-N 1 2 238.356 1.501 20 0 BDADLO C[C@H]1CCCCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000340926359 177070040 /nfs/dbraw/zinc/07/00/40/177070040.db2.gz SBQAUQFXZIZEON-QMMMGPOBSA-N 1 2 210.281 1.275 20 0 BDADLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC000270917683 177146668 /nfs/dbraw/zinc/14/66/68/177146668.db2.gz DXHOEJWYERLPIQ-RYUDHWBXSA-N 1 2 235.331 1.778 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000279708860 177147437 /nfs/dbraw/zinc/14/74/37/177147437.db2.gz ANVQXJLSJOWEOF-WDEREUQCSA-N 1 2 235.331 1.610 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C)C1 ZINC000263656785 177150271 /nfs/dbraw/zinc/15/02/71/177150271.db2.gz DKOHWYWJQZYQBT-WDEREUQCSA-N 1 2 236.319 1.323 20 0 BDADLO C[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000336586576 177169208 /nfs/dbraw/zinc/16/92/08/177169208.db2.gz HEPISNSMIHSQTN-ONGXEEELSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C[C@@H]1O ZINC000336586576 177169209 /nfs/dbraw/zinc/16/92/09/177169209.db2.gz HEPISNSMIHSQTN-ONGXEEELSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188678105 177186463 /nfs/dbraw/zinc/18/64/63/177186463.db2.gz XEZZWHFWEPTQRY-DTORHVGOSA-N 1 2 248.330 1.068 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+](C)Cc2nccn2C)O1 ZINC000276419081 177201090 /nfs/dbraw/zinc/20/10/90/177201090.db2.gz NOELGZWCQGLLPR-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+](C)Cc2nccn2C)O1 ZINC000276419081 177201092 /nfs/dbraw/zinc/20/10/92/177201092.db2.gz NOELGZWCQGLLPR-WDEREUQCSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@H]1CC[C@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000129627926 177201234 /nfs/dbraw/zinc/20/12/34/177201234.db2.gz FHNAZGPHBREOTM-UWVGGRQHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000339582610 177243625 /nfs/dbraw/zinc/24/36/25/177243625.db2.gz YXHWUNQTQCXLKO-NKWVEPMBSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)NCC(F)(F)F ZINC000339582610 177243626 /nfs/dbraw/zinc/24/36/26/177243626.db2.gz YXHWUNQTQCXLKO-NKWVEPMBSA-N 1 2 224.226 1.005 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCC1=O ZINC000229511384 177258144 /nfs/dbraw/zinc/25/81/44/177258144.db2.gz VDHNGUQZRHWJQY-SMDDNHRTSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCC1=O ZINC000229511384 177258145 /nfs/dbraw/zinc/25/81/45/177258145.db2.gz VDHNGUQZRHWJQY-SMDDNHRTSA-N 1 2 233.311 1.631 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CCC1(F)F ZINC000336603941 177268814 /nfs/dbraw/zinc/26/88/14/177268814.db2.gz KOTMDZAHOYXQIO-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CCC1(F)F ZINC000336603941 177268816 /nfs/dbraw/zinc/26/88/16/177268816.db2.gz KOTMDZAHOYXQIO-QMMMGPOBSA-N 1 2 230.262 1.292 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn3ccccc23)C[C@H](C)O1 ZINC000179194236 177269955 /nfs/dbraw/zinc/26/99/55/177269955.db2.gz DKYCKBIRZNVKKC-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn3ccccc23)C[C@H](C)O1 ZINC000179194236 177269956 /nfs/dbraw/zinc/26/99/56/177269956.db2.gz DKYCKBIRZNVKKC-TXEJJXNPSA-N 1 2 245.326 1.944 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(C2CC2)no1 ZINC000336331212 177270128 /nfs/dbraw/zinc/27/01/28/177270128.db2.gz PRPKQAMVQOOYOD-JGVFFNPUSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(C2CC2)no1 ZINC000336331212 177270129 /nfs/dbraw/zinc/27/01/29/177270129.db2.gz PRPKQAMVQOOYOD-JGVFFNPUSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](C)C1 ZINC000299188081 177273817 /nfs/dbraw/zinc/27/38/17/177273817.db2.gz CMNGOVSSHLPQQU-QWRGUYRKSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](C)C1 ZINC000299188081 177273820 /nfs/dbraw/zinc/27/38/20/177273820.db2.gz CMNGOVSSHLPQQU-QWRGUYRKSA-N 1 2 206.289 1.863 20 0 BDADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)CCO1 ZINC000269166655 177277819 /nfs/dbraw/zinc/27/78/19/177277819.db2.gz QGOFATGHEMFODY-JTQLQIEISA-N 1 2 231.299 1.798 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000354286923 177341832 /nfs/dbraw/zinc/34/18/32/177341832.db2.gz YYFOYMVJVWTEAW-DTWKUNHWSA-N 1 2 207.277 1.414 20 0 BDADLO C[C@H]1C[C@@H]1CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000352485764 177342805 /nfs/dbraw/zinc/34/28/05/177342805.db2.gz HQUVLSINUBZRTG-CMPLNLGQSA-N 1 2 247.342 1.810 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271707360 177343134 /nfs/dbraw/zinc/34/31/34/177343134.db2.gz NRKOJAGVPJHLLN-VHSXEESVSA-N 1 2 236.319 1.218 20 0 BDADLO C[C@H]1C[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276648918 177343239 /nfs/dbraw/zinc/34/32/39/177343239.db2.gz WIDHISJIKRPZQA-VHSXEESVSA-N 1 2 221.304 1.125 20 0 BDADLO C[C@H]1C[C@H](NC(=O)NCC2(C)CC2)c2[nH+]ccn21 ZINC000333148976 177367225 /nfs/dbraw/zinc/36/72/25/177367225.db2.gz HPDHGTYNSPDFCS-UWVGGRQHSA-N 1 2 248.330 1.988 20 0 BDADLO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333873550 177368138 /nfs/dbraw/zinc/36/81/38/177368138.db2.gz UYEUGKZLXHQWQS-KATARQTJSA-N 1 2 234.303 1.597 20 0 BDADLO C[C@H]1C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000371496002 177376140 /nfs/dbraw/zinc/37/61/40/177376140.db2.gz WHJTUTKEHGXXCI-CMPLNLGQSA-N 1 2 233.315 1.703 20 0 BDADLO C[C@H]1C[C@H]1CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000354023844 177378804 /nfs/dbraw/zinc/37/88/04/177378804.db2.gz GWRXDBHWMATZFC-QWRGUYRKSA-N 1 2 247.342 1.882 20 0 BDADLO C[C@H]1[N@H+](CC(=O)NCC2CC2)CCOC1(C)C ZINC000357325941 177392620 /nfs/dbraw/zinc/39/26/20/177392620.db2.gz DWHZKMRUUCLQMF-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1[N@@H+](CC(=O)NCC2CC2)CCOC1(C)C ZINC000357325941 177392622 /nfs/dbraw/zinc/39/26/22/177392622.db2.gz DWHZKMRUUCLQMF-SNVBAGLBSA-N 1 2 240.347 1.012 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000191151868 224785100 /nfs/dbraw/zinc/78/51/00/224785100.db2.gz ZHCWTSVHOZJVPH-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000191151868 224785103 /nfs/dbraw/zinc/78/51/03/224785103.db2.gz ZHCWTSVHOZJVPH-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000471813727 225085051 /nfs/dbraw/zinc/08/50/51/225085051.db2.gz XEEBVKKOZOZMLE-IONNQARKSA-N 1 2 231.246 1.233 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccn(C(F)F)n1 ZINC000471813727 225085054 /nfs/dbraw/zinc/08/50/54/225085054.db2.gz XEEBVKKOZOZMLE-IONNQARKSA-N 1 2 231.246 1.233 20 0 BDADLO Cc1nc(N(C)C)nc(NC[C@@H]2CC2(C)C)[nH+]1 ZINC000488383381 225389505 /nfs/dbraw/zinc/38/95/05/225389505.db2.gz YBLSKQBPVGHAEL-VIFPVBQESA-N 1 2 235.335 1.126 20 0 BDADLO Cc1nc(NC[C@@H]2CC2(C)C)nc(N(C)C)[nH+]1 ZINC000488383381 225389507 /nfs/dbraw/zinc/38/95/07/225389507.db2.gz YBLSKQBPVGHAEL-VIFPVBQESA-N 1 2 235.335 1.126 20 0 BDADLO Cc1nc(N(C)CC2CCC2)nc(N(C)C)[nH+]1 ZINC000488416046 225392134 /nfs/dbraw/zinc/39/21/34/225392134.db2.gz JUORCUGWKXZYRO-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)CC2CCC2)[nH+]1 ZINC000488416046 225392136 /nfs/dbraw/zinc/39/21/36/225392136.db2.gz JUORCUGWKXZYRO-UHFFFAOYSA-N 1 2 235.335 1.482 20 0 BDADLO CCn1ncnc1C[N@H+](C)CCCOC(C)C ZINC000488425417 225395944 /nfs/dbraw/zinc/39/59/44/225395944.db2.gz ZXOBVVCKMAOSOO-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CCCOC(C)C ZINC000488425417 225395950 /nfs/dbraw/zinc/39/59/50/225395950.db2.gz ZXOBVVCKMAOSOO-UHFFFAOYSA-N 1 2 240.351 1.545 20 0 BDADLO CO[C@H]1C[NH+](Cc2ncc(C)s2)C[C@@H]1OC ZINC000488018598 225343101 /nfs/dbraw/zinc/34/31/01/225343101.db2.gz UCLACFYMWDHAQR-UWVGGRQHSA-N 1 2 242.344 1.297 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000168817420 487646920 /nfs/dbraw/zinc/64/69/20/487646920.db2.gz NUZCEIYHGXDQQR-OAHLLOKOSA-N 1 2 247.338 1.368 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000168817420 487646926 /nfs/dbraw/zinc/64/69/26/487646926.db2.gz NUZCEIYHGXDQQR-OAHLLOKOSA-N 1 2 247.338 1.368 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000225831057 487647873 /nfs/dbraw/zinc/64/78/73/487647873.db2.gz HNJVRXKFNSLLIU-CYBMUJFWSA-N 1 2 248.326 1.569 20 0 BDADLO C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000225831057 487647878 /nfs/dbraw/zinc/64/78/78/487647878.db2.gz HNJVRXKFNSLLIU-CYBMUJFWSA-N 1 2 248.326 1.569 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000492763298 226047217 /nfs/dbraw/zinc/04/72/17/226047217.db2.gz JCFSZBSLXUVZEC-WTQORWENSA-N 1 2 247.298 1.107 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccccc1O ZINC000492767557 226049362 /nfs/dbraw/zinc/04/93/62/226049362.db2.gz CSRDOVFNINTWSK-AATRIKPKSA-N 1 2 229.239 1.767 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCSC1 ZINC000492774909 226050537 /nfs/dbraw/zinc/05/05/37/226050537.db2.gz XHHSJEGKEJWYGM-IYABHPQVSA-N 1 2 237.328 1.292 20 0 BDADLO C[C@H]1COC(C)(C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492772549 226050825 /nfs/dbraw/zinc/05/08/25/226050825.db2.gz SYVOOMFLWLMCJY-YEZKRMTDSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cnn(C)c1 ZINC000492815071 226058841 /nfs/dbraw/zinc/05/88/41/226058841.db2.gz WCCQUIQMEUHLJK-TYRPZCRBSA-N 1 2 245.286 1.034 20 0 BDADLO Cc1c(NC(=O)C=Cc2c[nH]c[nH+]2)cnn1C ZINC000492815814 226059763 /nfs/dbraw/zinc/05/97/63/226059763.db2.gz YINROLREQKWYRQ-ONEGZZNKSA-N 1 2 231.259 1.104 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCC=CO1 ZINC000492897963 226077998 /nfs/dbraw/zinc/07/79/98/226077998.db2.gz KMKSGGVAGCHSEU-DOGVGXBMSA-N 1 2 233.271 1.232 20 0 BDADLO CCc1nn(C)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902638 226080293 /nfs/dbraw/zinc/08/02/93/226080293.db2.gz RQLPNXPZMNFWHU-PLNGDYQASA-N 1 2 245.286 1.358 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCC(C1CC1)C1CC1 ZINC000492904473 226080745 /nfs/dbraw/zinc/08/07/45/226080745.db2.gz WVLKKGHNQCOVIV-AATRIKPKSA-N 1 2 245.326 1.975 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ncccc1O ZINC000492912547 226082461 /nfs/dbraw/zinc/08/24/61/226082461.db2.gz OIYACTRGZIUXGR-ONEGZZNKSA-N 1 2 230.227 1.162 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H]1CF ZINC000493291201 226176777 /nfs/dbraw/zinc/17/67/77/226176777.db2.gz MEWHXFMFIOXFQZ-CDAZIORVSA-N 1 2 223.251 1.383 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\C1CCCC1 ZINC000493043178 226110966 /nfs/dbraw/zinc/11/09/66/226110966.db2.gz DMGHQKZYOJAMFO-SREVYHEPSA-N 1 2 233.315 1.783 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C/C1CCCC1 ZINC000493043179 226111009 /nfs/dbraw/zinc/11/10/09/226111009.db2.gz DMGHQKZYOJAMFO-VOTSOKGWSA-N 1 2 233.315 1.783 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](F)C1 ZINC000493134229 226135360 /nfs/dbraw/zinc/13/53/60/226135360.db2.gz UZLOWHIYLWAJEB-NWALNABHSA-N 1 2 223.251 1.383 20 0 BDADLO C[C@H]1C[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000680805378 487648788 /nfs/dbraw/zinc/64/87/88/487648788.db2.gz CFPUXCXBBRRCRM-CBAPKCEASA-N 1 2 218.260 1.517 20 0 BDADLO COC1([C@H](C)NC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493143150 226138103 /nfs/dbraw/zinc/13/81/03/226138103.db2.gz ACAYQRXADZSDJL-YEZKRMTDSA-N 1 2 249.314 1.497 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493167467 226144594 /nfs/dbraw/zinc/14/45/94/226144594.db2.gz PNGHCSHYZFGZPD-PULIVWKDSA-N 1 2 205.261 1.338 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NOCCC1CC1 ZINC000493183081 226147438 /nfs/dbraw/zinc/14/74/38/226147438.db2.gz DYKXZOLIRMTTDZ-ONEGZZNKSA-N 1 2 221.260 1.271 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CC[C@H](O)CC1 ZINC000493209619 226154520 /nfs/dbraw/zinc/15/45/20/226154520.db2.gz SFIYURCPNAKKON-TVMDGKCVSA-N 1 2 249.314 1.185 20 0 BDADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)c1ccn(C)n1 ZINC000493203707 226154930 /nfs/dbraw/zinc/15/49/30/226154930.db2.gz ILRSDGPDPOLSLX-NWALNABHSA-N 1 2 245.286 1.034 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000493253153 226166206 /nfs/dbraw/zinc/16/62/06/226166206.db2.gz KPPUMUNAOWGAMQ-JTHYSYLISA-N 1 2 247.298 1.107 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493282244 226173778 /nfs/dbraw/zinc/17/37/78/226173778.db2.gz BGGJQVWKBUHSHW-PLNGDYQASA-N 1 2 245.286 1.412 20 0 BDADLO CO[NH+]=C(N)C(C)(C)NC(=O)OC(C)(C)C ZINC000495604620 226283277 /nfs/dbraw/zinc/28/32/77/226283277.db2.gz UCPAQGRJIQSPNC-UHFFFAOYSA-N 1 2 231.296 1.418 20 0 BDADLO CCc1nn(C)cc1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493448239 226218610 /nfs/dbraw/zinc/21/86/10/226218610.db2.gz DVAXQPAJYQNILE-SNAWJCMRSA-N 1 2 245.286 1.358 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCC1(O)CCC1 ZINC000493545898 226241555 /nfs/dbraw/zinc/24/15/55/226241555.db2.gz DWILDWOPLVSQJG-ONEGZZNKSA-N 1 2 249.314 1.234 20 0 BDADLO O=C(/C=C\C1CC1)N1CCn2c[nH+]cc2C1 ZINC000493585730 226244565 /nfs/dbraw/zinc/24/45/65/226244565.db2.gz JIXOGQUXPSPBQD-ARJAWSKDSA-N 1 2 217.272 1.192 20 0 BDADLO CO[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000493613364 226246129 /nfs/dbraw/zinc/24/61/29/226246129.db2.gz OXGCFXCUNYIHBK-MJKAUQOVSA-N 1 2 249.314 1.449 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](F)C1 ZINC000493616209 226246134 /nfs/dbraw/zinc/24/61/34/226246134.db2.gz NXAVVTOCMQJERC-DXMIZCBPSA-N 1 2 223.251 1.430 20 0 BDADLO Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000493663881 226248160 /nfs/dbraw/zinc/24/81/60/226248160.db2.gz YMYDPXAISYQDKS-WAYWQWQTSA-N 1 2 242.282 1.443 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCOCC1CCC1 ZINC000493782981 226253918 /nfs/dbraw/zinc/25/39/18/226253918.db2.gz GJIYVHZMQSMXTL-SNAWJCMRSA-N 1 2 249.314 1.356 20 0 BDADLO O=C(C=Cc1[nH]cc[nH+]1)N1CCCc2n[nH]cc21 ZINC000493860220 226257741 /nfs/dbraw/zinc/25/77/41/226257741.db2.gz UWOGNNZLXQIAPB-ARJAWSKDSA-N 1 2 243.270 1.125 20 0 BDADLO Cn1cccc1C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494659151 226267821 /nfs/dbraw/zinc/26/78/21/226267821.db2.gz MWBWSXBUNIABAP-GFCCVEGCSA-N 1 2 249.314 1.052 20 0 BDADLO Cn1cccc1C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494659151 226267822 /nfs/dbraw/zinc/26/78/22/226267822.db2.gz MWBWSXBUNIABAP-GFCCVEGCSA-N 1 2 249.314 1.052 20 0 BDADLO Cc1cccc(C[NH+]2CC3(C2)CNC(=O)O3)c1 ZINC000496876782 226316535 /nfs/dbraw/zinc/31/65/35/226316535.db2.gz RUVJJLDCPKSRDL-UHFFFAOYSA-N 1 2 232.283 1.289 20 0 BDADLO Cc1nnc(C[NH+]2CCC(CCCO)CC2)[nH]1 ZINC000401061331 226352956 /nfs/dbraw/zinc/35/29/56/226352956.db2.gz GJBXVNXKHFRWGJ-UHFFFAOYSA-N 1 2 238.335 1.098 20 0 BDADLO CCc1nocc1C[N@@H+]1CCO[C@H](CC)C1 ZINC000507099859 226365338 /nfs/dbraw/zinc/36/53/38/226365338.db2.gz BSWGFOYTBSHYNO-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1nocc1C[N@H+]1CCO[C@H](CC)C1 ZINC000507099859 226365339 /nfs/dbraw/zinc/36/53/39/226365339.db2.gz BSWGFOYTBSHYNO-LLVKDONJSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1nocc1C[N@@H+](CC(N)=O)CC(C)C ZINC000507354098 226368763 /nfs/dbraw/zinc/36/87/63/226368763.db2.gz CRWDEQDXPMEXQV-UHFFFAOYSA-N 1 2 239.319 1.180 20 0 BDADLO CCc1nocc1C[N@H+](CC(N)=O)CC(C)C ZINC000507354098 226368764 /nfs/dbraw/zinc/36/87/64/226368764.db2.gz CRWDEQDXPMEXQV-UHFFFAOYSA-N 1 2 239.319 1.180 20 0 BDADLO C[NH2+]Cc1noc(Cc2cc(C)ccc2F)n1 ZINC000414636862 487655813 /nfs/dbraw/zinc/65/58/13/487655813.db2.gz BEHJCRDPGCUOHX-UHFFFAOYSA-N 1 2 235.262 1.827 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@H+](CC(F)F)C[C@@H]2C1 ZINC000306849076 487657359 /nfs/dbraw/zinc/65/73/59/487657359.db2.gz MRRQRUZMVTVCQB-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@@H+](CC(F)F)C[C@@H]2C1 ZINC000306849076 487657363 /nfs/dbraw/zinc/65/73/63/487657363.db2.gz MRRQRUZMVTVCQB-HRDYMLBCSA-N 1 2 205.248 1.344 20 0 BDADLO CN(C[C@H]1COCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000664338522 487659709 /nfs/dbraw/zinc/65/97/09/487659709.db2.gz ULEOKKMHMLQVJP-NSHDSACASA-N 1 2 249.314 1.206 20 0 BDADLO COC/C(C)=C\c1nc(Cc2c[nH+]cn2C)no1 ZINC000351421068 487660853 /nfs/dbraw/zinc/66/08/53/487660853.db2.gz GFJDFIFWQBTEPY-WTKPLQERSA-N 1 2 248.286 1.444 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CC=CCC1 ZINC000680986234 487686964 /nfs/dbraw/zinc/68/69/64/487686964.db2.gz AEDZDABTKMEJMC-UHFFFAOYSA-N 1 2 221.308 1.190 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CC=CCC1 ZINC000680986234 487686968 /nfs/dbraw/zinc/68/69/68/487686968.db2.gz AEDZDABTKMEJMC-UHFFFAOYSA-N 1 2 221.308 1.190 20 0 BDADLO O[C@H]1C[N@H+](CCCCF)CC(F)(F)C1 ZINC000671688796 487692516 /nfs/dbraw/zinc/69/25/16/487692516.db2.gz WQOBEGQOXACQBF-MRVPVSSYSA-N 1 2 211.227 1.438 20 0 BDADLO O[C@H]1C[N@@H+](CCCCF)CC(F)(F)C1 ZINC000671688796 487692527 /nfs/dbraw/zinc/69/25/27/487692527.db2.gz WQOBEGQOXACQBF-MRVPVSSYSA-N 1 2 211.227 1.438 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000669700737 487696937 /nfs/dbraw/zinc/69/69/37/487696937.db2.gz BBANSZFBESQNLM-MNOVXSKESA-N 1 2 233.315 1.305 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000669700737 487696942 /nfs/dbraw/zinc/69/69/42/487696942.db2.gz BBANSZFBESQNLM-MNOVXSKESA-N 1 2 233.315 1.305 20 0 BDADLO Cc1cc(NC(=O)N[C@H](C)C(C)(C)O)cc[nH+]1 ZINC000678095347 487704390 /nfs/dbraw/zinc/70/43/90/487704390.db2.gz GDDACKKAYNHWDA-SECBINFHSA-N 1 2 237.303 1.093 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](CC1(C)CC1)CC2 ZINC000683836770 487705033 /nfs/dbraw/zinc/70/50/33/487705033.db2.gz QTMYNUUSVNKNHP-UHFFFAOYSA-N 1 2 205.305 1.807 20 0 BDADLO Cc1cn2c(n1)C[N@H+](CC1(C)CC1)CC2 ZINC000683836770 487705036 /nfs/dbraw/zinc/70/50/36/487705036.db2.gz QTMYNUUSVNKNHP-UHFFFAOYSA-N 1 2 205.305 1.807 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(O)c(F)c1 ZINC000681044957 487704770 /nfs/dbraw/zinc/70/47/70/487704770.db2.gz QIZRKBZMVKMBEL-UHFFFAOYSA-N 1 2 249.245 1.527 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1CC12CCC2 ZINC000675329721 487708293 /nfs/dbraw/zinc/70/82/93/487708293.db2.gz CVIQKRVHRNLWTR-LBPRGKRZSA-N 1 2 247.342 1.970 20 0 BDADLO CCc1nnc(C[N@H+](C)C2(CO)CC2)s1 ZINC000671727593 487710884 /nfs/dbraw/zinc/71/08/84/487710884.db2.gz SLFYNENDOHWPNV-UHFFFAOYSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@@H+](C)C2(CO)CC2)s1 ZINC000671727593 487710891 /nfs/dbraw/zinc/71/08/91/487710891.db2.gz SLFYNENDOHWPNV-UHFFFAOYSA-N 1 2 227.333 1.057 20 0 BDADLO Cc1oc(C(C)C)nc1C(=O)NCc1c[nH+]c[nH]1 ZINC000671733230 487713311 /nfs/dbraw/zinc/71/33/11/487713311.db2.gz GVRBOMFERQXBTJ-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO Cc1oc(C(C)C)nc1C(=O)NCc1c[nH]c[nH+]1 ZINC000671733230 487713316 /nfs/dbraw/zinc/71/33/16/487713316.db2.gz GVRBOMFERQXBTJ-UHFFFAOYSA-N 1 2 248.286 1.760 20 0 BDADLO CCc1cc(NC[C@@H]2CCCC(=O)N2)nc[nH+]1 ZINC000683938869 487719223 /nfs/dbraw/zinc/71/92/23/487719223.db2.gz UDRYEVPGRADCHN-JTQLQIEISA-N 1 2 234.303 1.120 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000668419846 487722187 /nfs/dbraw/zinc/72/21/87/487722187.db2.gz NQQKOKQWCYCNRZ-MFKMUULPSA-N 1 2 248.326 1.956 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@H](C2CCC2)C1 ZINC000665683914 487727777 /nfs/dbraw/zinc/72/77/77/487727777.db2.gz IQRXFEWWALHUPG-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO CCCCN(CC)c1nc[nH+]c2c1OCCN2 ZINC000665688680 487730826 /nfs/dbraw/zinc/73/08/26/487730826.db2.gz WADKMAWWLUXGIM-UHFFFAOYSA-N 1 2 236.319 1.907 20 0 BDADLO CCCCN(CC)c1[nH+]cnc2c1OCCN2 ZINC000665688680 487730831 /nfs/dbraw/zinc/73/08/31/487730831.db2.gz WADKMAWWLUXGIM-UHFFFAOYSA-N 1 2 236.319 1.907 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)NCCC2CC2)c1 ZINC000458473118 487731424 /nfs/dbraw/zinc/73/14/24/487731424.db2.gz USVVPTDFMFDBNI-UHFFFAOYSA-N 1 2 236.319 1.062 20 0 BDADLO CC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000675452454 487733972 /nfs/dbraw/zinc/73/39/72/487733972.db2.gz IZIIFOVJUFCKDD-LLVKDONJSA-N 1 2 233.315 1.847 20 0 BDADLO CC[C@@H](C)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000665700509 487735021 /nfs/dbraw/zinc/73/50/21/487735021.db2.gz CBPPNFYITREMIZ-SECBINFHSA-N 1 2 236.319 1.763 20 0 BDADLO CC[C@@H](C)CN(C)c1[nH+]cnc2c1OCCN2 ZINC000665700509 487735026 /nfs/dbraw/zinc/73/50/26/487735026.db2.gz CBPPNFYITREMIZ-SECBINFHSA-N 1 2 236.319 1.763 20 0 BDADLO CN(C[C@H](O)C1CC1)c1cc(NC2CC2)[nH+]cn1 ZINC000665705395 487735541 /nfs/dbraw/zinc/73/55/41/487735541.db2.gz SBWNMYMVVSHYSP-NSHDSACASA-N 1 2 248.330 1.258 20 0 BDADLO CN(C[C@H](O)C1CC1)c1cc(NC2CC2)nc[nH+]1 ZINC000665705395 487735546 /nfs/dbraw/zinc/73/55/46/487735546.db2.gz SBWNMYMVVSHYSP-NSHDSACASA-N 1 2 248.330 1.258 20 0 BDADLO CC1=CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665709072 487736019 /nfs/dbraw/zinc/73/60/19/487736019.db2.gz YLBHELSNSXOQRI-UHFFFAOYSA-N 1 2 232.287 1.437 20 0 BDADLO CC1=CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665709072 487736021 /nfs/dbraw/zinc/73/60/21/487736021.db2.gz YLBHELSNSXOQRI-UHFFFAOYSA-N 1 2 232.287 1.437 20 0 BDADLO C[N@H+](Cc1ncc(Cl)s1)C(C)(C)CO ZINC000681163872 487739630 /nfs/dbraw/zinc/73/96/30/487739630.db2.gz JXBXHELQOMVKPS-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO C[N@@H+](Cc1ncc(Cl)s1)C(C)(C)CO ZINC000681163872 487739632 /nfs/dbraw/zinc/73/96/32/487739632.db2.gz JXBXHELQOMVKPS-UHFFFAOYSA-N 1 2 234.752 1.999 20 0 BDADLO CC[C@@H]1C[C@]2(CCO1)NC(=O)C[N@@H+]2CC(C)C ZINC000666169000 487743142 /nfs/dbraw/zinc/74/31/42/487743142.db2.gz LOMNAKRMZVTHFB-DGCLKSJQSA-N 1 2 240.347 1.360 20 0 BDADLO CC[C@@H]1C[C@]2(CCO1)NC(=O)C[N@H+]2CC(C)C ZINC000666169000 487743151 /nfs/dbraw/zinc/74/31/51/487743151.db2.gz LOMNAKRMZVTHFB-DGCLKSJQSA-N 1 2 240.347 1.360 20 0 BDADLO COc1coc(C[N@H+](C)Cc2cn[nH]c2)cc1=O ZINC000675497732 487742804 /nfs/dbraw/zinc/74/28/04/487742804.db2.gz IQJXZNKRAGVUSB-UHFFFAOYSA-N 1 2 249.270 1.004 20 0 BDADLO COc1coc(C[N@@H+](C)Cc2cn[nH]c2)cc1=O ZINC000675497732 487742805 /nfs/dbraw/zinc/74/28/05/487742805.db2.gz IQJXZNKRAGVUSB-UHFFFAOYSA-N 1 2 249.270 1.004 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](CCOC1CCC1)C2 ZINC000672551783 487745178 /nfs/dbraw/zinc/74/51/78/487745178.db2.gz ACOIHRJAGYFYAB-UHFFFAOYSA-N 1 2 221.304 1.337 20 0 BDADLO c1n[nH]c2c1CC[N@H+](CCOC1CCC1)C2 ZINC000672551783 487745180 /nfs/dbraw/zinc/74/51/80/487745180.db2.gz ACOIHRJAGYFYAB-UHFFFAOYSA-N 1 2 221.304 1.337 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](CCOC1CCC1)C2 ZINC000672551783 487745182 /nfs/dbraw/zinc/74/51/82/487745182.db2.gz ACOIHRJAGYFYAB-UHFFFAOYSA-N 1 2 221.304 1.337 20 0 BDADLO c1[nH]nc2c1CC[N@H+](CCOC1CCC1)C2 ZINC000672551783 487745185 /nfs/dbraw/zinc/74/51/85/487745185.db2.gz ACOIHRJAGYFYAB-UHFFFAOYSA-N 1 2 221.304 1.337 20 0 BDADLO COCc1nc(C[N@@H+]2CCCC[C@H]2C)no1 ZINC000109530608 487762758 /nfs/dbraw/zinc/76/27/58/487762758.db2.gz UBILELLWRVQHKJ-SECBINFHSA-N 1 2 225.292 1.590 20 0 BDADLO COCc1nc(C[N@H+]2CCCC[C@H]2C)no1 ZINC000109530608 487762763 /nfs/dbraw/zinc/76/27/63/487762763.db2.gz UBILELLWRVQHKJ-SECBINFHSA-N 1 2 225.292 1.590 20 0 BDADLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CC1(C)C ZINC000357410991 487766270 /nfs/dbraw/zinc/76/62/70/487766270.db2.gz BKJXLXAOUPJBQU-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000302197509 487774444 /nfs/dbraw/zinc/77/44/44/487774444.db2.gz XSXCSVDGKVSOAQ-QMMMGPOBSA-N 1 2 243.257 1.804 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000666266692 487777873 /nfs/dbraw/zinc/77/78/73/487777873.db2.gz HDWBKTKJKIYIML-QMMMGPOBSA-N 1 2 219.288 1.135 20 0 BDADLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000666266692 487777877 /nfs/dbraw/zinc/77/78/77/487777877.db2.gz HDWBKTKJKIYIML-QMMMGPOBSA-N 1 2 219.288 1.135 20 0 BDADLO C[C@H](C(=O)Nc1cc[nH+]cc1N(C)C)C1CC1 ZINC000681358096 487783600 /nfs/dbraw/zinc/78/36/00/487783600.db2.gz PFZHANLRPDENJD-VIFPVBQESA-N 1 2 233.315 1.554 20 0 BDADLO CN(C)c1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000681363304 487784779 /nfs/dbraw/zinc/78/47/79/487784779.db2.gz QSXIWQZREIBKOX-MNOVXSKESA-N 1 2 245.326 1.554 20 0 BDADLO C[C@H]1C[N@H+](CCCF)C[C@H](C(F)(F)F)O1 ZINC000675892280 487787696 /nfs/dbraw/zinc/78/76/96/487787696.db2.gz OIODNLXUDIWLLB-JGVFFNPUSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1C[N@@H+](CCCF)C[C@H](C(F)(F)F)O1 ZINC000675892280 487787699 /nfs/dbraw/zinc/78/76/99/487787699.db2.gz OIODNLXUDIWLLB-JGVFFNPUSA-N 1 2 229.217 1.998 20 0 BDADLO CC(C)(C)[N@@H+](CCF)CCS(C)(=O)=O ZINC000770217417 585571702 /nfs/dbraw/zinc/57/17/02/585571702.db2.gz RWXUGWAXPFGWOX-UHFFFAOYSA-N 1 2 225.329 1.101 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000591136107 487790181 /nfs/dbraw/zinc/79/01/81/487790181.db2.gz HRZHYQUQFMXWMB-MNOVXSKESA-N 1 2 221.304 1.436 20 0 BDADLO COC(=O)[C@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000591199814 487791372 /nfs/dbraw/zinc/79/13/72/487791372.db2.gz DPOFMJXBCWDZPM-CYBMUJFWSA-N 1 2 249.314 1.565 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]1C1CC1 ZINC000672854384 487793815 /nfs/dbraw/zinc/79/38/15/487793815.db2.gz AKNZZDXOPLRNLF-NSHDSACASA-N 1 2 233.315 1.743 20 0 BDADLO COCCC1C[NH+](Cc2cc3n(n2)CCC3)C1 ZINC000668471770 487795924 /nfs/dbraw/zinc/79/59/24/487795924.db2.gz KQFGVIWYAJIOBA-UHFFFAOYSA-N 1 2 235.331 1.298 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000672134177 487797851 /nfs/dbraw/zinc/79/78/51/487797851.db2.gz XMPCYSFXEKATHO-PWSUYJOCSA-N 1 2 233.315 1.364 20 0 BDADLO CC(C)(C)c1nc(NCC(F)(F)CO)cc[nH+]1 ZINC000681012719 487797973 /nfs/dbraw/zinc/79/79/73/487797973.db2.gz RERJDYVRLASTGC-UHFFFAOYSA-N 1 2 245.273 1.814 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666405904 487801156 /nfs/dbraw/zinc/80/11/56/487801156.db2.gz MDRBLUXITSWSBX-KXUCPTDWSA-N 1 2 233.315 1.287 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666405904 487801159 /nfs/dbraw/zinc/80/11/59/487801159.db2.gz MDRBLUXITSWSBX-KXUCPTDWSA-N 1 2 233.315 1.287 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666405995 487801461 /nfs/dbraw/zinc/80/14/61/487801461.db2.gz OJBFQYWGZGEICO-LMLFDSFASA-N 1 2 233.315 1.296 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000666449381 487811235 /nfs/dbraw/zinc/81/12/35/487811235.db2.gz CEFPZSLCBDKIGM-NNYUYHANSA-N 1 2 233.315 1.434 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666449932 487813004 /nfs/dbraw/zinc/81/30/04/487813004.db2.gz KBKQTZTXPPUXQN-YVECIDJPSA-N 1 2 247.342 1.824 20 0 BDADLO COc1ccc(N[C@@H](C)c2ccc(=O)[nH]n2)[nH+]c1 ZINC000671757589 487815266 /nfs/dbraw/zinc/81/52/66/487815266.db2.gz UJIHGPGRIKPPEG-QMMMGPOBSA-N 1 2 246.270 1.759 20 0 BDADLO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000229115722 487820709 /nfs/dbraw/zinc/82/07/09/487820709.db2.gz GVPMMMJGMYCJJE-DTWKUNHWSA-N 1 2 241.360 1.708 20 0 BDADLO Cc1cc(NC(=O)N[C@H](CO)C2CCC2)cc[nH+]1 ZINC000666492798 487820473 /nfs/dbraw/zinc/82/04/73/487820473.db2.gz UWOIKFNWXJETMB-GFCCVEGCSA-N 1 2 249.314 1.094 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N1CC[C@H]2CCC[C@@H]21 ZINC000681654040 487830620 /nfs/dbraw/zinc/83/06/20/487830620.db2.gz ZUTSKLFDRGVUBV-NEPJUHHUSA-N 1 2 248.330 1.467 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000681653135 487831254 /nfs/dbraw/zinc/83/12/54/487831254.db2.gz ZARQXZRZBHAZQG-GHMZBOCLSA-N 1 2 248.330 1.504 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000828834333 587465521 /nfs/dbraw/zinc/46/55/21/587465521.db2.gz PVIALOUOLOMMII-AXFHLTTASA-N 1 2 231.336 1.325 20 0 BDADLO CCc1noc(C[N@H+](CC(C)(C)O)C2CC2)n1 ZINC000681704570 487842523 /nfs/dbraw/zinc/84/25/23/487842523.db2.gz BWXNFQNJBAIXKP-UHFFFAOYSA-N 1 2 239.319 1.367 20 0 BDADLO CCc1noc(C[N@@H+](CC(C)(C)O)C2CC2)n1 ZINC000681704570 487842525 /nfs/dbraw/zinc/84/25/25/487842525.db2.gz BWXNFQNJBAIXKP-UHFFFAOYSA-N 1 2 239.319 1.367 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCC2(CC2)C1 ZINC000668995049 487842802 /nfs/dbraw/zinc/84/28/02/487842802.db2.gz FPNGLDPEYHQDNX-JTQLQIEISA-N 1 2 233.315 1.996 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCC2(CC2)C1 ZINC000668995049 487842806 /nfs/dbraw/zinc/84/28/06/487842806.db2.gz FPNGLDPEYHQDNX-JTQLQIEISA-N 1 2 233.315 1.996 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)s1 ZINC000681706859 487843816 /nfs/dbraw/zinc/84/38/16/487843816.db2.gz MXRQMZCDTQJNHR-IUCAKERBSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)s1 ZINC000681706859 487843819 /nfs/dbraw/zinc/84/38/19/487843819.db2.gz MXRQMZCDTQJNHR-IUCAKERBSA-N 1 2 241.360 1.303 20 0 BDADLO ClC1=CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC000878790702 590622802 /nfs/dbraw/zinc/62/28/02/590622802.db2.gz SMEIRNHVMANVNO-UHFFFAOYSA-N 1 2 212.684 1.176 20 0 BDADLO CC1(C)CC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492891814 529050173 /nfs/dbraw/zinc/05/01/73/529050173.db2.gz KMPKUGOOLYJGFD-UMBAGQNISA-N 1 2 219.288 1.728 20 0 BDADLO CCON(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492735373 529083104 /nfs/dbraw/zinc/08/31/04/529083104.db2.gz MESMCJBACYITGW-SREVYHEPSA-N 1 2 223.276 1.326 20 0 BDADLO O[C@@H](C[N@@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102605 592443359 /nfs/dbraw/zinc/44/33/59/592443359.db2.gz XCNUABGTOPTQQT-JTQLQIEISA-N 1 2 219.275 1.877 20 0 BDADLO COC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CCCC1 ZINC000668498403 487856354 /nfs/dbraw/zinc/85/63/54/487856354.db2.gz QUPBGOYIGUDVHJ-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO COC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)CCCC1 ZINC000668498403 487856361 /nfs/dbraw/zinc/85/63/61/487856361.db2.gz QUPBGOYIGUDVHJ-JTQLQIEISA-N 1 2 249.301 1.648 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CCC[C@H]21 ZINC000681762910 487858968 /nfs/dbraw/zinc/85/89/68/487858968.db2.gz TWYRDIXQRKFAPY-WDEREUQCSA-N 1 2 219.288 1.284 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681762909 487859061 /nfs/dbraw/zinc/85/90/61/487859061.db2.gz TWYRDIXQRKFAPY-QWRGUYRKSA-N 1 2 219.288 1.284 20 0 BDADLO CC1(C)CCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668170916 487861151 /nfs/dbraw/zinc/86/11/51/487861151.db2.gz ZYHUSWKEVXPGMA-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO CC1(C)CCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668170916 487861156 /nfs/dbraw/zinc/86/11/56/487861156.db2.gz ZYHUSWKEVXPGMA-JTQLQIEISA-N 1 2 247.342 1.916 20 0 BDADLO CC(F)(F)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000566122139 322958608 /nfs/dbraw/zinc/95/86/08/322958608.db2.gz YORIJKBCNYYETI-JTQLQIEISA-N 1 2 245.269 1.671 20 0 BDADLO COc1cc(C)ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000682002088 487877899 /nfs/dbraw/zinc/87/78/99/487877899.db2.gz SDWONUARZHMTNC-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO COc1cc(C)ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000682002088 487877901 /nfs/dbraw/zinc/87/79/01/487877901.db2.gz SDWONUARZHMTNC-UHFFFAOYSA-N 1 2 245.282 1.657 20 0 BDADLO C[C@H]([NH2+]C1CC1)C(=O)N=c1cc([C@@H]2C[C@@H]2C)[nH][nH]1 ZINC000569357686 322963828 /nfs/dbraw/zinc/96/38/28/322963828.db2.gz WYNNFKWOYNQBGX-OYNCUSHFSA-N 1 2 248.330 1.034 20 0 BDADLO C[C@@H](CNC(=O)C1CC2(CC2)C1)Cn1cc[nH+]c1 ZINC000669019190 487881136 /nfs/dbraw/zinc/88/11/36/487881136.db2.gz SDSHAXZVJUDKFJ-NSHDSACASA-N 1 2 247.342 1.826 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1cscc1C ZINC000087310714 487883078 /nfs/dbraw/zinc/88/30/78/487883078.db2.gz YVOWJZYXNVWHSG-UHFFFAOYSA-N 1 2 236.344 1.958 20 0 BDADLO CCCCCNC(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000676704910 487892578 /nfs/dbraw/zinc/89/25/78/487892578.db2.gz SCXYJFLKLFXNMZ-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO CCCCCNC(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000676704910 487892584 /nfs/dbraw/zinc/89/25/84/487892584.db2.gz SCXYJFLKLFXNMZ-UHFFFAOYSA-N 1 2 238.335 1.148 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)CCCC1CC1 ZINC000643195499 487894179 /nfs/dbraw/zinc/89/41/79/487894179.db2.gz HLIQFTFBMQQAFA-UHFFFAOYSA-N 1 2 221.304 1.617 20 0 BDADLO OCC[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000227430527 487899034 /nfs/dbraw/zinc/89/90/34/487899034.db2.gz IYKZNYCSPDIUBQ-LLVKDONJSA-N 1 2 236.315 1.173 20 0 BDADLO CCO[C@H]1CCC[N@H+](Cc2nccc(N)n2)C1 ZINC000676715499 487903098 /nfs/dbraw/zinc/90/30/98/487903098.db2.gz NMUJZWNTJRMKCF-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO CCO[C@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000676715499 487903107 /nfs/dbraw/zinc/90/31/07/487903107.db2.gz NMUJZWNTJRMKCF-JTQLQIEISA-N 1 2 236.319 1.060 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000682089179 487907670 /nfs/dbraw/zinc/90/76/70/487907670.db2.gz KYIWQLFFBSJAKE-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1noc([C@@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)n1 ZINC000682089179 487907672 /nfs/dbraw/zinc/90/76/72/487907672.db2.gz KYIWQLFFBSJAKE-SCZZXKLOSA-N 1 2 239.319 1.532 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)ncn1 ZINC000682137894 487911723 /nfs/dbraw/zinc/91/17/23/487911723.db2.gz APTXAHDEYHRYBB-NSHDSACASA-N 1 2 243.314 1.734 20 0 BDADLO COC(=O)[C@H]([NH2+]CCC(C)(F)F)C1CC1 ZINC000357695436 487917228 /nfs/dbraw/zinc/91/72/28/487917228.db2.gz FECUDTHNWUTQPP-MRVPVSSYSA-N 1 2 221.247 1.573 20 0 BDADLO O=C(COCC1CCCC1)NCc1c[nH+]c[nH]1 ZINC000653493570 487927814 /nfs/dbraw/zinc/92/78/14/487927814.db2.gz HZNIDDYHUNUJMB-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO O=C(COCC1CCCC1)NCc1c[nH]c[nH+]1 ZINC000653493570 487927820 /nfs/dbraw/zinc/92/78/20/487927820.db2.gz HZNIDDYHUNUJMB-UHFFFAOYSA-N 1 2 237.303 1.233 20 0 BDADLO CC(C)OCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000676791773 487928997 /nfs/dbraw/zinc/92/89/97/487928997.db2.gz BEYCPENQVAHTDC-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO CC(C)OCC[N@H+]1CCc2c[nH]nc2C1 ZINC000676791773 487929003 /nfs/dbraw/zinc/92/90/03/487929003.db2.gz BEYCPENQVAHTDC-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO CC(C)OCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000676791773 487929006 /nfs/dbraw/zinc/92/90/06/487929006.db2.gz BEYCPENQVAHTDC-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO CC(C)OCC[N@H+]1CCc2cn[nH]c2C1 ZINC000676791773 487929009 /nfs/dbraw/zinc/92/90/09/487929009.db2.gz BEYCPENQVAHTDC-UHFFFAOYSA-N 1 2 209.293 1.193 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cn1 ZINC000676792354 487929425 /nfs/dbraw/zinc/92/94/25/487929425.db2.gz BPAJJRSXEAJOEY-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cn1 ZINC000676792354 487929429 /nfs/dbraw/zinc/92/94/29/487929429.db2.gz BPAJJRSXEAJOEY-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](CCOc1ccccc1)C2 ZINC000676798232 487932388 /nfs/dbraw/zinc/93/23/88/487932388.db2.gz SCTGNRPNNRDMHW-UHFFFAOYSA-N 1 2 243.310 1.847 20 0 BDADLO c1[nH]nc2c1CC[N@H+](CCOc1ccccc1)C2 ZINC000676798232 487932391 /nfs/dbraw/zinc/93/23/91/487932391.db2.gz SCTGNRPNNRDMHW-UHFFFAOYSA-N 1 2 243.310 1.847 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](CCOc1ccccc1)C2 ZINC000676798232 487932395 /nfs/dbraw/zinc/93/23/95/487932395.db2.gz SCTGNRPNNRDMHW-UHFFFAOYSA-N 1 2 243.310 1.847 20 0 BDADLO c1n[nH]c2c1CC[N@H+](CCOc1ccccc1)C2 ZINC000676798232 487932399 /nfs/dbraw/zinc/93/23/99/487932399.db2.gz SCTGNRPNNRDMHW-UHFFFAOYSA-N 1 2 243.310 1.847 20 0 BDADLO CCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000676842150 487936259 /nfs/dbraw/zinc/93/62/59/487936259.db2.gz OLRBZKBRCLSGJF-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000676842023 487936436 /nfs/dbraw/zinc/93/64/36/487936436.db2.gz UVFSPZWTBDFXKA-ZYHUDNBSSA-N 1 2 247.342 1.608 20 0 BDADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1C1CC1 ZINC000676908704 487946888 /nfs/dbraw/zinc/94/68/88/487946888.db2.gz XXKRDKZRTJGRSZ-VHSXEESVSA-N 1 2 231.303 1.301 20 0 BDADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1C1CC1 ZINC000676908704 487946889 /nfs/dbraw/zinc/94/68/89/487946889.db2.gz XXKRDKZRTJGRSZ-VHSXEESVSA-N 1 2 231.303 1.301 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(O)cc1 ZINC000682404696 487948279 /nfs/dbraw/zinc/94/82/79/487948279.db2.gz IJPXIBLGDMXNGI-GFCCVEGCSA-N 1 2 234.299 1.103 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(O)cc1 ZINC000682404696 487948281 /nfs/dbraw/zinc/94/82/81/487948281.db2.gz IJPXIBLGDMXNGI-GFCCVEGCSA-N 1 2 234.299 1.103 20 0 BDADLO Cc1[nH+]cc(CN(C)CC2=CCCOC2)n1C ZINC000668569214 487950253 /nfs/dbraw/zinc/95/02/53/487950253.db2.gz SSPIPBJFSKLJKK-UHFFFAOYSA-N 1 2 235.331 1.507 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000667153649 487949931 /nfs/dbraw/zinc/94/99/31/487949931.db2.gz SLSAKHARQIQKJD-MWLCHTKSSA-N 1 2 247.342 1.677 20 0 BDADLO C[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000667153649 487949935 /nfs/dbraw/zinc/94/99/35/487949935.db2.gz SLSAKHARQIQKJD-MWLCHTKSSA-N 1 2 247.342 1.677 20 0 BDADLO Cc1ncc(NC(=O)[C@H]2CCCC[N@H+]2C)s1 ZINC000676989376 487951388 /nfs/dbraw/zinc/95/13/88/487951388.db2.gz XYMJALNCVIGERT-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1ncc(NC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC000676989376 487951393 /nfs/dbraw/zinc/95/13/93/487951393.db2.gz XYMJALNCVIGERT-SECBINFHSA-N 1 2 239.344 1.874 20 0 BDADLO Cc1cc(NC(=O)N(C)C(C)C)c(C)c[nH+]1 ZINC000560412980 322987011 /nfs/dbraw/zinc/98/70/11/322987011.db2.gz YFOQQITVHDLTKR-UHFFFAOYSA-N 1 2 221.304 1.992 20 0 BDADLO C[C@@H]1CC[C@@H]1Nc1[nH+]cnc(-n2cccn2)c1N ZINC000561437749 323001656 /nfs/dbraw/zinc/00/16/56/323001656.db2.gz YCOOIMHYQMVNEG-BDAKNGLRSA-N 1 2 244.302 1.455 20 0 BDADLO CC(C)[C@@H]1N(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000562257955 323014124 /nfs/dbraw/zinc/01/41/24/323014124.db2.gz MRSKFMBXVFGFPX-ZDUSSCGKSA-N 1 2 249.358 1.856 20 0 BDADLO C[C@H](O)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000562316923 323016023 /nfs/dbraw/zinc/01/60/23/323016023.db2.gz ZKQGQNGJZBXNLV-LBPRGKRZSA-N 1 2 245.326 1.793 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000562316923 323016024 /nfs/dbraw/zinc/01/60/24/323016024.db2.gz ZKQGQNGJZBXNLV-LBPRGKRZSA-N 1 2 245.326 1.793 20 0 BDADLO CCO[C@H]1C[C@@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000562472452 323021220 /nfs/dbraw/zinc/02/12/20/323021220.db2.gz FZYSAOFFBUHHDI-RYUDHWBXSA-N 1 2 249.314 1.419 20 0 BDADLO CCn1cc(C[N@H+](C)Cc2cccnc2N)cn1 ZINC000562533173 323023237 /nfs/dbraw/zinc/02/32/37/323023237.db2.gz GLNYNESHIWIJIZ-UHFFFAOYSA-N 1 2 245.330 1.512 20 0 BDADLO CCn1cc(C[N@@H+](C)Cc2cccnc2N)cn1 ZINC000562533173 323023238 /nfs/dbraw/zinc/02/32/38/323023238.db2.gz GLNYNESHIWIJIZ-UHFFFAOYSA-N 1 2 245.330 1.512 20 0 BDADLO C[C@@H](NC(=O)CCC1CC1)c1[nH]cc[nH+]1 ZINC000400908634 323023477 /nfs/dbraw/zinc/02/34/77/323023477.db2.gz QYYRLUVHNWIHAK-MRVPVSSYSA-N 1 2 207.277 1.777 20 0 BDADLO CCN1C[C@H](C)[N@H+](Cc2ncccc2O)C[C@H]1C ZINC000562900957 323032996 /nfs/dbraw/zinc/03/29/96/323032996.db2.gz AOQHXPYICBPSLE-NEPJUHHUSA-N 1 2 249.358 1.702 20 0 BDADLO CCN1C[C@H](C)[N@@H+](Cc2ncccc2O)C[C@H]1C ZINC000562900957 323032997 /nfs/dbraw/zinc/03/29/97/323032997.db2.gz AOQHXPYICBPSLE-NEPJUHHUSA-N 1 2 249.358 1.702 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)COCC1CCCC1 ZINC000562893972 323033026 /nfs/dbraw/zinc/03/30/26/323033026.db2.gz PSEGVIGMPZEJQT-UHFFFAOYSA-N 1 2 248.326 1.957 20 0 BDADLO CCO[C@@H]1C[C@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000562939816 323034263 /nfs/dbraw/zinc/03/42/63/323034263.db2.gz PKQIINOLGCYLBX-PSASIEDQSA-N 1 2 243.738 1.649 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CC(OC(F)F)C1 ZINC000565229765 323034725 /nfs/dbraw/zinc/03/47/25/323034725.db2.gz NZBKVOCHTYIWMY-UHFFFAOYSA-N 1 2 229.230 1.521 20 0 BDADLO CC(C)c1nc(N[C@H]2CO[C@H](C)C2)cc[nH+]1 ZINC000569719678 323038909 /nfs/dbraw/zinc/03/89/09/323038909.db2.gz VSDFFFYQTCAVQC-NXEZZACHSA-N 1 2 221.304 1.611 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C)c2)[nH]c1C ZINC000569745350 323039663 /nfs/dbraw/zinc/03/96/63/323039663.db2.gz PRWUTKXYGRDCQR-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2cnn(C)c2)[nH+]c1C ZINC000569745350 323039664 /nfs/dbraw/zinc/03/96/64/323039664.db2.gz PRWUTKXYGRDCQR-JTQLQIEISA-N 1 2 233.319 1.611 20 0 BDADLO C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000569779238 323040395 /nfs/dbraw/zinc/04/03/95/323040395.db2.gz VPQVDXDBFUQOKZ-MWLCHTKSSA-N 1 2 248.330 1.296 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569849836 323042854 /nfs/dbraw/zinc/04/28/54/323042854.db2.gz FDPNKVTZHTULBS-JFGNBEQYSA-N 1 2 233.315 1.360 20 0 BDADLO CCOCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000570056100 323048791 /nfs/dbraw/zinc/04/87/91/323048791.db2.gz BJMSKJLEHOXYKP-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO CCOCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000570056100 323048792 /nfs/dbraw/zinc/04/87/92/323048792.db2.gz BJMSKJLEHOXYKP-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO CC[C@@H](C[N@@H+]1CCC[C@H]1c1ncon1)OC ZINC000570425888 323059343 /nfs/dbraw/zinc/05/93/43/323059343.db2.gz BJXBTGIFSUIIOB-UWVGGRQHSA-N 1 2 225.292 1.632 20 0 BDADLO CC[C@@H](C[N@H+]1CCC[C@H]1c1ncon1)OC ZINC000570425888 323059344 /nfs/dbraw/zinc/05/93/44/323059344.db2.gz BJXBTGIFSUIIOB-UWVGGRQHSA-N 1 2 225.292 1.632 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC1=O ZINC000570526536 323062142 /nfs/dbraw/zinc/06/21/42/323062142.db2.gz LDUUBQYLYBCLHS-VHSXEESVSA-N 1 2 249.314 1.074 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC1=O ZINC000570526536 323062143 /nfs/dbraw/zinc/06/21/43/323062143.db2.gz LDUUBQYLYBCLHS-VHSXEESVSA-N 1 2 249.314 1.074 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC1=O ZINC000570526537 323062209 /nfs/dbraw/zinc/06/22/09/323062209.db2.gz LDUUBQYLYBCLHS-ZJUUUORDSA-N 1 2 249.314 1.074 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC1=O ZINC000570526537 323062210 /nfs/dbraw/zinc/06/22/10/323062210.db2.gz LDUUBQYLYBCLHS-ZJUUUORDSA-N 1 2 249.314 1.074 20 0 BDADLO Cc1nc(N2C[C@@H](C)OC3(CCC3)C2)cc[nH+]1 ZINC000570628627 323064959 /nfs/dbraw/zinc/06/49/59/323064959.db2.gz ZQQOREHAQUGONW-SNVBAGLBSA-N 1 2 233.315 1.933 20 0 BDADLO CC(F)(F)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000570750875 323069292 /nfs/dbraw/zinc/06/92/92/323069292.db2.gz QRAOGORNUVIUEL-UHFFFAOYSA-N 1 2 231.246 1.459 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](C)[C@H]1CCOC1 ZINC000157434401 323069532 /nfs/dbraw/zinc/06/95/32/323069532.db2.gz AMVCSEYPUBDOLJ-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000157434401 323069533 /nfs/dbraw/zinc/06/95/33/323069533.db2.gz AMVCSEYPUBDOLJ-NSHDSACASA-N 1 2 238.335 1.217 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000570866106 323073107 /nfs/dbraw/zinc/07/31/07/323073107.db2.gz JQFHXTMZZTVBJX-TUAOUCFPSA-N 1 2 233.315 1.301 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000570866105 323073134 /nfs/dbraw/zinc/07/31/34/323073134.db2.gz JQFHXTMZZTVBJX-SRVKXCTJSA-N 1 2 233.315 1.301 20 0 BDADLO CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)OC ZINC000572660498 323073283 /nfs/dbraw/zinc/07/32/83/323073283.db2.gz JHFMKWVULQOJBS-ONGXEEELSA-N 1 2 239.319 1.130 20 0 BDADLO CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)OC ZINC000572660498 323073284 /nfs/dbraw/zinc/07/32/84/323073284.db2.gz JHFMKWVULQOJBS-ONGXEEELSA-N 1 2 239.319 1.130 20 0 BDADLO O=C([C@H]1C[C@H]1C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000531195853 323085019 /nfs/dbraw/zinc/08/50/19/323085019.db2.gz LETHNXFGSJWDMO-RYUDHWBXSA-N 1 2 231.299 1.313 20 0 BDADLO CSC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493457587 323085903 /nfs/dbraw/zinc/08/59/03/323085903.db2.gz JUCFNKPDHANMJB-MPJRPATESA-N 1 2 225.317 1.291 20 0 BDADLO CC1(C)CN(C[N@@H+]2CC[C@@](C)(F)C2)C(=O)O1 ZINC000494142044 323088220 /nfs/dbraw/zinc/08/82/20/323088220.db2.gz MXNLDDCVPHWRIA-LLVKDONJSA-N 1 2 230.283 1.609 20 0 BDADLO CC1(C)CN(C[N@H+]2CC[C@@](C)(F)C2)C(=O)O1 ZINC000494142044 323088221 /nfs/dbraw/zinc/08/82/21/323088221.db2.gz MXNLDDCVPHWRIA-LLVKDONJSA-N 1 2 230.283 1.609 20 0 BDADLO CCCc1nc(C[NH2+][C@H](CO)C(C)C)no1 ZINC000184390168 323090337 /nfs/dbraw/zinc/09/03/37/323090337.db2.gz BBMOVTJDTHZSKF-SECBINFHSA-N 1 2 227.308 1.129 20 0 BDADLO O=C(NCCn1cc[nH+]c1)OCC1CC1 ZINC000188260612 323090699 /nfs/dbraw/zinc/09/06/99/323090699.db2.gz SVPFDEQTWKRMPO-UHFFFAOYSA-N 1 2 209.249 1.019 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335243610 323097534 /nfs/dbraw/zinc/09/75/34/323097534.db2.gz HGWAPECLUKJFKR-RKDXNWHRSA-N 1 2 214.309 1.657 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000335243610 323097535 /nfs/dbraw/zinc/09/75/35/323097535.db2.gz HGWAPECLUKJFKR-RKDXNWHRSA-N 1 2 214.309 1.657 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@H]2O)[nH+]1 ZINC000393966670 323099238 /nfs/dbraw/zinc/09/92/38/323099238.db2.gz MHAOSKILDWQKJH-RKDXNWHRSA-N 1 2 218.260 1.202 20 0 BDADLO CCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000047976193 323113059 /nfs/dbraw/zinc/11/30/59/323113059.db2.gz KBXOOLJCNHLVMV-UHFFFAOYSA-N 1 2 207.277 1.886 20 0 BDADLO COC[C@@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000534272558 323115390 /nfs/dbraw/zinc/11/53/90/323115390.db2.gz IFMUBGPKUMANBI-SECBINFHSA-N 1 2 246.314 1.513 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)c1cccs1 ZINC000401727355 323118864 /nfs/dbraw/zinc/11/88/64/323118864.db2.gz RMEXPTXKPUMRNC-UHFFFAOYSA-N 1 2 235.312 1.454 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C)C1 ZINC000563385576 323122136 /nfs/dbraw/zinc/12/21/36/323122136.db2.gz PRVCQFHEKOQIPF-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C)C1 ZINC000563385576 323122137 /nfs/dbraw/zinc/12/21/37/323122137.db2.gz PRVCQFHEKOQIPF-JTQLQIEISA-N 1 2 235.331 1.847 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)C[C@@H](CO)C1 ZINC000563423196 323124284 /nfs/dbraw/zinc/12/42/84/323124284.db2.gz DVPJUTHDWAFSBF-BXKDBHETSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@H]1CCC[C@@H]1O ZINC000563424646 323125875 /nfs/dbraw/zinc/12/58/75/323125875.db2.gz DTBDIDRMEYVEEL-NEPJUHHUSA-N 1 2 235.331 1.691 20 0 BDADLO Brc1cn[nH]c1C[NH2+]CC1CC1 ZINC000307958732 323126324 /nfs/dbraw/zinc/12/63/24/323126324.db2.gz IFRSVMDBEQKGFE-UHFFFAOYSA-N 1 2 230.109 1.672 20 0 BDADLO COc1ccc[nH+]c1N1CC[C@H](O)C(C)(C)C1 ZINC000310095797 323127865 /nfs/dbraw/zinc/12/78/65/323127865.db2.gz HZHNDSZSNWTTDZ-NSHDSACASA-N 1 2 236.315 1.687 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(=O)CC12CCC2 ZINC000563630638 323132574 /nfs/dbraw/zinc/13/25/74/323132574.db2.gz JJXCDZPNIMCWIA-UHFFFAOYSA-N 1 2 233.315 1.508 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563636033 323133001 /nfs/dbraw/zinc/13/30/01/323133001.db2.gz KHPDGWQEHALEBD-QWRGUYRKSA-N 1 2 237.347 1.997 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563636033 323133002 /nfs/dbraw/zinc/13/30/02/323133002.db2.gz KHPDGWQEHALEBD-QWRGUYRKSA-N 1 2 237.347 1.997 20 0 BDADLO CCc1[nH]nc(NCc2[nH]c(C)c(C)[nH+]2)c1C ZINC000563639025 323133361 /nfs/dbraw/zinc/13/33/61/323133361.db2.gz YJLUXIYHTOGUCG-UHFFFAOYSA-N 1 2 233.319 1.654 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cncnc2C)on1 ZINC000571224960 323138680 /nfs/dbraw/zinc/13/86/80/323138680.db2.gz OYCKSNZUJHONIZ-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO COCCOCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000571240970 323139270 /nfs/dbraw/zinc/13/92/70/323139270.db2.gz SKVKIBBJFNREJJ-VIFPVBQESA-N 1 2 243.307 1.034 20 0 BDADLO COCCOCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000571240970 323139271 /nfs/dbraw/zinc/13/92/71/323139271.db2.gz SKVKIBBJFNREJJ-VIFPVBQESA-N 1 2 243.307 1.034 20 0 BDADLO CC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000571544341 323147511 /nfs/dbraw/zinc/14/75/11/323147511.db2.gz QAIFQQOMNHKEBW-JTQLQIEISA-N 1 2 207.277 1.284 20 0 BDADLO C[C@@H]1[C@@H](C(=O)NCCc2c[nH+]cn2C)[C@H]1C1CC1 ZINC000529006249 323151949 /nfs/dbraw/zinc/15/19/49/323151949.db2.gz BXXNIRCVKBYNSL-ZWKOPEQDSA-N 1 2 247.342 1.371 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NCc1ccoc1 ZINC000049000130 323156437 /nfs/dbraw/zinc/15/64/37/323156437.db2.gz UANJLMUTTXTLNJ-UHFFFAOYSA-N 1 2 229.243 1.568 20 0 BDADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)on1 ZINC000535036615 323164362 /nfs/dbraw/zinc/16/43/62/323164362.db2.gz XUSMLYFXJYCCTB-UHFFFAOYSA-N 1 2 231.255 1.669 20 0 BDADLO Cc1cc(NC(=O)NC[C@@H]2CCCO2)c(C)c[nH+]1 ZINC000535061213 323164964 /nfs/dbraw/zinc/16/49/64/323164964.db2.gz UJYFOYFFKFYXAL-NSHDSACASA-N 1 2 249.314 1.421 20 0 BDADLO COC(=O)C[C@@H]1CC[C@@H](Nc2c[nH]c[nH+]2)[C@@H]1C ZINC000564537174 323174414 /nfs/dbraw/zinc/17/44/14/323174414.db2.gz PJLSMHKTTNYBDK-KXUCPTDWSA-N 1 2 237.303 1.799 20 0 BDADLO Cc1cc(CC[NH2+]Cc2ccn[nH]2)on1 ZINC000308963971 323182777 /nfs/dbraw/zinc/18/27/77/323182777.db2.gz UAWUKPJHOLLBJR-UHFFFAOYSA-N 1 2 206.249 1.038 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529569441 323184298 /nfs/dbraw/zinc/18/42/98/323184298.db2.gz BERZTIAJBFNXNR-OUAUKWLOSA-N 1 2 233.315 1.505 20 0 BDADLO COc1nccc(C[NH2+][C@@H](C)c2ccco2)n1 ZINC000395124130 323188163 /nfs/dbraw/zinc/18/81/63/323188163.db2.gz MXKSBDHKAPAXEC-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO COC[C@@H](C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000535721362 323189194 /nfs/dbraw/zinc/18/91/94/323189194.db2.gz OIZUIUHXMDYLPM-VIFPVBQESA-N 1 2 246.314 1.159 20 0 BDADLO CN(C)C(=O)C[N@H+](C)Cc1cc(F)ccc1F ZINC000051588534 323190241 /nfs/dbraw/zinc/19/02/41/323190241.db2.gz NLJLHASJTQBACB-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)ccc1F ZINC000051588534 323190242 /nfs/dbraw/zinc/19/02/42/323190242.db2.gz NLJLHASJTQBACB-UHFFFAOYSA-N 1 2 242.269 1.485 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCSC2)c(C)c[nH+]1 ZINC000536575607 323198115 /nfs/dbraw/zinc/19/81/15/323198115.db2.gz XDXFCDSLMFFTOV-SNVBAGLBSA-N 1 2 236.340 1.812 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CCSC2)c(C)c[nH+]1 ZINC000536575603 323198143 /nfs/dbraw/zinc/19/81/43/323198143.db2.gz XDXFCDSLMFFTOV-JTQLQIEISA-N 1 2 236.340 1.812 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2nnc3n2CCC3)c1 ZINC000536632994 323199015 /nfs/dbraw/zinc/19/90/15/323199015.db2.gz PEPLGOTURCIUFW-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2nnc3n2CCC3)c1 ZINC000536632994 323199016 /nfs/dbraw/zinc/19/90/16/323199016.db2.gz PEPLGOTURCIUFW-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(C2CC2)CC1 ZINC000532369988 323258149 /nfs/dbraw/zinc/25/81/49/323258149.db2.gz NESPPCRLTSRGQK-JTQLQIEISA-N 1 2 248.330 1.513 20 0 BDADLO O=C(C[NH+]1C2CCC1CC2)Nc1nncs1 ZINC000532466564 323266519 /nfs/dbraw/zinc/26/65/19/323266519.db2.gz SRNMFLUWWKUDKC-UHFFFAOYSA-N 1 2 238.316 1.103 20 0 BDADLO Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)no1 ZINC000193687236 323366997 /nfs/dbraw/zinc/36/69/97/323366997.db2.gz CSPFSDIACRSDDR-UHFFFAOYSA-N 1 2 247.258 1.282 20 0 BDADLO Cc1nc(NC2(CO)CC2)c2c([nH+]1)CCCC2 ZINC000571911539 323506577 /nfs/dbraw/zinc/50/65/77/323506577.db2.gz CELCFJORSJAYOB-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548327997 323650521 /nfs/dbraw/zinc/65/05/21/323650521.db2.gz ABMIMKDLESUOQW-DGCLKSJQSA-N 1 2 249.358 2.000 20 0 BDADLO Cc1nc(N[C@@]23C[C@@H]2COC3(C)C)cc[nH+]1 ZINC000528128065 323768736 /nfs/dbraw/zinc/76/87/36/323768736.db2.gz LRQWSFPXEJDAGF-SKDRFNHKSA-N 1 2 219.288 1.764 20 0 BDADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)co1 ZINC000660375299 487961204 /nfs/dbraw/zinc/96/12/04/487961204.db2.gz RWJXECXQFAHJHU-IVZWLZJFSA-N 1 2 224.304 1.981 20 0 BDADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)co1 ZINC000660375299 487961209 /nfs/dbraw/zinc/96/12/09/487961209.db2.gz RWJXECXQFAHJHU-IVZWLZJFSA-N 1 2 224.304 1.981 20 0 BDADLO CC1(CNc2[nH+]cnc(-n3cccn3)c2N)CC1 ZINC000533361926 323887789 /nfs/dbraw/zinc/88/77/89/323887789.db2.gz XERACPZFKJDTPZ-UHFFFAOYSA-N 1 2 244.302 1.457 20 0 BDADLO C[C@@H]1OCC[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000537760322 324101932 /nfs/dbraw/zinc/10/19/32/324101932.db2.gz WTHHBSWSXFFYQP-VHSXEESVSA-N 1 2 245.282 1.698 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572485894 324127059 /nfs/dbraw/zinc/12/70/59/324127059.db2.gz GCVNLGLGRFEFGC-WISYIIOYSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnccn2)[C@H](C)[C@H](C)O1 ZINC000572485669 324127118 /nfs/dbraw/zinc/12/71/18/324127118.db2.gz BHGCATCONAWYRT-MXWKQRLJSA-N 1 2 221.304 1.474 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnccn2)[C@H](C)[C@H](C)O1 ZINC000572485669 324127121 /nfs/dbraw/zinc/12/71/21/324127121.db2.gz BHGCATCONAWYRT-MXWKQRLJSA-N 1 2 221.304 1.474 20 0 BDADLO CCC[N@H+](Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC000653544820 487962515 /nfs/dbraw/zinc/96/25/15/487962515.db2.gz MPAIPSAHOJDMRG-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO CCC[N@@H+](Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC000653544820 487962518 /nfs/dbraw/zinc/96/25/18/487962518.db2.gz MPAIPSAHOJDMRG-UHFFFAOYSA-N 1 2 237.351 1.803 20 0 BDADLO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccn[nH]2)cc1 ZINC000188992190 324184493 /nfs/dbraw/zinc/18/44/93/324184493.db2.gz JDTNXBZKEOLUOE-AWEZNQCLSA-N 1 2 245.326 1.411 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000232044272 324208552 /nfs/dbraw/zinc/20/85/52/324208552.db2.gz QNQYUPMZEOAGTD-HBNTYKKESA-N 1 2 231.336 1.587 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@H+]1C/C=C(\C)Cl ZINC000528389884 324218711 /nfs/dbraw/zinc/21/87/11/324218711.db2.gz VBNDJHZNRIHFGD-VGANXODHSA-N 1 2 216.712 1.339 20 0 BDADLO CC[C@@H]1C(=O)NCC[N@@H+]1C/C=C(\C)Cl ZINC000528389884 324218713 /nfs/dbraw/zinc/21/87/13/324218713.db2.gz VBNDJHZNRIHFGD-VGANXODHSA-N 1 2 216.712 1.339 20 0 BDADLO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000529477279 324309722 /nfs/dbraw/zinc/30/97/22/324309722.db2.gz KMNNXLRVBUNJPX-XDTLVQLUSA-N 1 2 247.342 1.371 20 0 BDADLO CCOC1C[NH+](Cc2ccnc(C)c2)C1 ZINC000529599356 324358872 /nfs/dbraw/zinc/35/88/72/324358872.db2.gz GIUSPJRUQKBSNG-UHFFFAOYSA-N 1 2 206.289 1.611 20 0 BDADLO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1csnn1 ZINC000529644720 324370591 /nfs/dbraw/zinc/37/05/91/324370591.db2.gz NWOQMKKBEKFAHT-XCBNKYQSSA-N 1 2 225.317 1.195 20 0 BDADLO CCn1nncc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648663 324371449 /nfs/dbraw/zinc/37/14/49/324371449.db2.gz FYQLZQLPXGZFIL-UHFFFAOYSA-N 1 2 246.314 1.566 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CC=CCC1 ZINC000529868027 324419609 /nfs/dbraw/zinc/41/96/09/324419609.db2.gz VJVPQJQPIKXTMC-NSHDSACASA-N 1 2 233.315 1.815 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1cnoc1C ZINC000130111195 325014803 /nfs/dbraw/zinc/01/48/03/325014803.db2.gz OKRNBUVLBLQKTD-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1cnoc1C ZINC000130111195 325014808 /nfs/dbraw/zinc/01/48/08/325014808.db2.gz OKRNBUVLBLQKTD-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO Cc1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000070989902 325048990 /nfs/dbraw/zinc/04/89/90/325048990.db2.gz STOYIOCHDRSKFR-SNAWJCMRSA-N 1 2 231.255 1.641 20 0 BDADLO Cc1nnc(CNc2cc[nH+]c(C3CC3)n2)s1 ZINC000542798411 325049593 /nfs/dbraw/zinc/04/95/93/325049593.db2.gz ROJSOQXYGWQQHA-UHFFFAOYSA-N 1 2 247.327 1.548 20 0 BDADLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)c(O)c1 ZINC000071030741 325050858 /nfs/dbraw/zinc/05/08/58/325050858.db2.gz VEMPGHZXPPLAJR-UHFFFAOYSA-N 1 2 247.254 1.054 20 0 BDADLO C[C@H](Cc1ccsc1)[N@H+]1CCNC(=O)C1 ZINC000543058094 325069019 /nfs/dbraw/zinc/06/90/19/325069019.db2.gz PDHRONBPVLQZPX-SECBINFHSA-N 1 2 224.329 1.111 20 0 BDADLO C[C@H](Cc1ccsc1)[N@@H+]1CCNC(=O)C1 ZINC000543058094 325069017 /nfs/dbraw/zinc/06/90/17/325069017.db2.gz PDHRONBPVLQZPX-SECBINFHSA-N 1 2 224.329 1.111 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)Cc1ccsc1 ZINC000543410825 325086570 /nfs/dbraw/zinc/08/65/70/325086570.db2.gz ADWGLUXVLGKTPO-UHFFFAOYSA-N 1 2 249.339 1.383 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(C)no1 ZINC000131424250 325149106 /nfs/dbraw/zinc/14/91/06/325149106.db2.gz BUBYJFVDXXQIAX-UHFFFAOYSA-N 1 2 233.227 1.639 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(C)nn1C ZINC000131479278 325154912 /nfs/dbraw/zinc/15/49/12/325154912.db2.gz OQPSQNSFGAJKRO-UHFFFAOYSA-N 1 2 246.270 1.384 20 0 BDADLO CCc1cc(C(=O)NCc2[nH]cc[nH+]2)c(C)nn1 ZINC000545379779 325217743 /nfs/dbraw/zinc/21/77/43/325217743.db2.gz AKMQIBUAXMHGKD-UHFFFAOYSA-N 1 2 245.286 1.001 20 0 BDADLO C[C@]1(CO)CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000545398391 325219036 /nfs/dbraw/zinc/21/90/36/325219036.db2.gz MIFLTJHACZECLW-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO C[C@]1(CO)CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000545398391 325219039 /nfs/dbraw/zinc/21/90/39/325219039.db2.gz MIFLTJHACZECLW-GFCCVEGCSA-N 1 2 237.303 1.294 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@]2(C)CO)cc[nH+]1 ZINC000546148421 325268400 /nfs/dbraw/zinc/26/84/00/325268400.db2.gz QRDZJWLXVONHOY-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO CC[C@@](C)(O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000133178375 325274997 /nfs/dbraw/zinc/27/49/97/325274997.db2.gz DGUGPJGSKHLQSE-CYBMUJFWSA-N 1 2 246.314 1.785 20 0 BDADLO CN(Cc1cc[nH]n1)c1cc(NC2CC2)[nH+]cn1 ZINC000564302938 325281502 /nfs/dbraw/zinc/28/15/02/325281502.db2.gz XJJLOHUXNPXKEU-UHFFFAOYSA-N 1 2 244.302 1.410 20 0 BDADLO CN(Cc1cc[nH]n1)c1cc(NC2CC2)nc[nH+]1 ZINC000564302938 325281507 /nfs/dbraw/zinc/28/15/07/325281507.db2.gz XJJLOHUXNPXKEU-UHFFFAOYSA-N 1 2 244.302 1.410 20 0 BDADLO C[C@@H]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000546715457 325304420 /nfs/dbraw/zinc/30/44/20/325304420.db2.gz UGCRBVZBVKEFDQ-MNOVXSKESA-N 1 2 235.331 1.515 20 0 BDADLO C[C@@]1(CO)CCC[N@@H+]1Cc1nccn1C(F)F ZINC000546812165 325313539 /nfs/dbraw/zinc/31/35/39/325313539.db2.gz YVHOCKVGDDAEEJ-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO C[C@@]1(CO)CCC[N@H+]1Cc1nccn1C(F)F ZINC000546812165 325313541 /nfs/dbraw/zinc/31/35/41/325313541.db2.gz YVHOCKVGDDAEEJ-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO COc1nc(C)cc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000546886946 325316929 /nfs/dbraw/zinc/31/69/29/325316929.db2.gz GJAROOSXZBJERS-UHFFFAOYSA-N 1 2 245.286 1.051 20 0 BDADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cn1 ZINC000133963188 325333867 /nfs/dbraw/zinc/33/38/67/325333867.db2.gz NCWIQMCTQWLTIQ-MRVPVSSYSA-N 1 2 220.251 1.795 20 0 BDADLO COc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000134491223 325361074 /nfs/dbraw/zinc/36/10/74/325361074.db2.gz XAKQCBPDANSUQQ-UHFFFAOYSA-N 1 2 245.282 1.391 20 0 BDADLO c1cn(C2CCN(c3cccnn3)CC2)c[nH+]1 ZINC000547762753 325393237 /nfs/dbraw/zinc/39/32/37/325393237.db2.gz GHJMEJRLFLYQGD-UHFFFAOYSA-N 1 2 229.287 1.515 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000547769366 325395126 /nfs/dbraw/zinc/39/51/26/325395126.db2.gz KEAJRGDSPMRYRH-RKDXNWHRSA-N 1 2 232.287 1.005 20 0 BDADLO Cc1cccc(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000547786546 325398228 /nfs/dbraw/zinc/39/82/28/325398228.db2.gz GWZWAGLMCFRIMO-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO Cc1cccc(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000547786546 325398231 /nfs/dbraw/zinc/39/82/31/325398231.db2.gz GWZWAGLMCFRIMO-LBPRGKRZSA-N 1 2 235.331 1.523 20 0 BDADLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cn2)[C@H]1OC ZINC000547941009 325412915 /nfs/dbraw/zinc/41/29/15/325412915.db2.gz HRGATPZAQACSMN-CKYFFXLPSA-N 1 2 237.303 1.389 20 0 BDADLO CN(C(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000548255327 325442422 /nfs/dbraw/zinc/44/24/22/325442422.db2.gz JVWKOYDLDYAJSZ-UHFFFAOYSA-N 1 2 229.283 1.626 20 0 BDADLO COCc1nc(C(=O)Nc2cc[nH+]cc2C)co1 ZINC000548500830 325464836 /nfs/dbraw/zinc/46/48/36/325464836.db2.gz UGZAJZAWXQQQQG-UHFFFAOYSA-N 1 2 247.254 1.199 20 0 BDADLO CC(C)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653569439 487967892 /nfs/dbraw/zinc/96/78/92/487967892.db2.gz RAGVDYATGATUML-UHFFFAOYSA-N 1 2 211.313 1.268 20 0 BDADLO CC(C)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653569439 487967896 /nfs/dbraw/zinc/96/78/96/487967896.db2.gz RAGVDYATGATUML-UHFFFAOYSA-N 1 2 211.313 1.268 20 0 BDADLO CC[C@H]1CC[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)O1 ZINC000552558803 325653338 /nfs/dbraw/zinc/65/33/38/325653338.db2.gz JIPZAHPEPPTKHB-UTLUCORTSA-N 1 2 237.303 1.545 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C(C)C ZINC000090451896 325676865 /nfs/dbraw/zinc/67/68/65/325676865.db2.gz ANGBYTYXRMZKNS-GHMZBOCLSA-N 1 2 245.363 1.977 20 0 BDADLO CCc1ncc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cn1 ZINC000553532938 325695231 /nfs/dbraw/zinc/69/52/31/325695231.db2.gz WBNPJHZFVPZKDA-JTQLQIEISA-N 1 2 248.330 1.318 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N(CC1CC1)CC1CC1 ZINC000554510960 325723041 /nfs/dbraw/zinc/72/30/41/325723041.db2.gz XTGWFLKQJVMSNN-UHFFFAOYSA-N 1 2 247.342 1.611 20 0 BDADLO C[C@H](CC(=O)NC1(C2CC2)CC1)n1cc[nH+]c1 ZINC000564577372 325797125 /nfs/dbraw/zinc/79/71/25/325797125.db2.gz QWCXDFMETZDKQX-SNVBAGLBSA-N 1 2 233.315 1.893 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCCCC(=O)C1 ZINC000564888620 325823302 /nfs/dbraw/zinc/82/33/02/325823302.db2.gz LFWASPATSKCRPE-SNVBAGLBSA-N 1 2 249.314 1.565 20 0 BDADLO CC(C)C(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000565854325 325966416 /nfs/dbraw/zinc/96/64/16/325966416.db2.gz LDOXJBDMRXKKJK-UHFFFAOYSA-N 1 2 238.335 1.617 20 0 BDADLO COCc1cc(C[NH2+]C2(CF)CCC2)no1 ZINC000566247219 326023554 /nfs/dbraw/zinc/02/35/54/326023554.db2.gz GCOBEMYAQMPQSC-UHFFFAOYSA-N 1 2 228.267 1.803 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@H]2C[C@@H]2C(C)C)c[nH+]1 ZINC000566280933 326028436 /nfs/dbraw/zinc/02/84/36/326028436.db2.gz WJLNZUNSWIWUBD-GHMZBOCLSA-N 1 2 248.330 1.106 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000566334893 326034335 /nfs/dbraw/zinc/03/43/35/326034335.db2.gz YTYAJLLGAZZGNX-HAQNSBGRSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](F)C1 ZINC000566412334 326041135 /nfs/dbraw/zinc/04/11/35/326041135.db2.gz TZLRGSJOGDZZPZ-JTQLQIEISA-N 1 2 237.278 1.778 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC12CCC2 ZINC000566446041 326049091 /nfs/dbraw/zinc/04/90/91/326049091.db2.gz GVELABQPGMZJKR-SNVBAGLBSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC12CCC2 ZINC000566446041 326049093 /nfs/dbraw/zinc/04/90/93/326049093.db2.gz GVELABQPGMZJKR-SNVBAGLBSA-N 1 2 233.315 1.743 20 0 BDADLO C[C@@H](NC(=O)[C@]1(C)C[C@H]1F)c1[nH]cc[nH+]1 ZINC000566471028 326052833 /nfs/dbraw/zinc/05/28/33/326052833.db2.gz QSVHQKZAAPFDFI-BRDIYROLSA-N 1 2 211.240 1.335 20 0 BDADLO C[C@H](C[C@H](C)O)Nc1nc(N)c2ccccc2[nH+]1 ZINC000566524492 326062141 /nfs/dbraw/zinc/06/21/41/326062141.db2.gz ZLFLDXPPZFKKCE-BDAKNGLRSA-N 1 2 246.314 1.036 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1cn(C(C)C)nn1 ZINC000566689740 326075191 /nfs/dbraw/zinc/07/51/91/326075191.db2.gz UPYFEXBAULUSKJ-UHFFFAOYSA-N 1 2 246.318 1.300 20 0 BDADLO Cc1cnn(CCNc2nc(C)[nH+]cc2C)c1 ZINC000566709958 326075950 /nfs/dbraw/zinc/07/59/50/326075950.db2.gz NWONOEIEVNHXTP-UHFFFAOYSA-N 1 2 231.303 1.132 20 0 BDADLO CC[C@](C)(O)CNc1nc(C)[nH+]cc1C ZINC000567003575 326100865 /nfs/dbraw/zinc/10/08/65/326100865.db2.gz NTCFAPCMSRIKJD-NSHDSACASA-N 1 2 209.293 1.088 20 0 BDADLO O=C(N[C@@H]1C=CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153638833 326104855 /nfs/dbraw/zinc/10/48/55/326104855.db2.gz ZKDBPIUVLPFPFT-VXGBXAGGSA-N 1 2 245.326 1.670 20 0 BDADLO CCn1cc[nH+]c1CN1CCC[C@@H](F)C1 ZINC000567172367 326128837 /nfs/dbraw/zinc/12/88/37/326128837.db2.gz KKHPZTHZCFMSTM-SNVBAGLBSA-N 1 2 211.284 1.837 20 0 BDADLO C[C@H]1C[NH+](CCSc2nc[nH]n2)C[C@H](C)O1 ZINC000567522665 326210026 /nfs/dbraw/zinc/21/00/26/326210026.db2.gz WYINEBMARNKDNK-IUCAKERBSA-N 1 2 242.348 1.006 20 0 BDADLO C[C@@H]1OCC[N@H+](CC(=O)NC2CCCC2)[C@H]1C ZINC000156103380 326218756 /nfs/dbraw/zinc/21/87/56/326218756.db2.gz MAGMXOALMAPADU-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@@H]1OCC[N@@H+](CC(=O)NC2CCCC2)[C@H]1C ZINC000156103380 326218758 /nfs/dbraw/zinc/21/87/58/326218758.db2.gz MAGMXOALMAPADU-QWRGUYRKSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)N2CCCCC2)[C@@H]1C ZINC000156401657 326231398 /nfs/dbraw/zinc/23/13/98/326231398.db2.gz QXAWKDUAJYKIGV-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCCCC2)[C@@H]1C ZINC000156401657 326231399 /nfs/dbraw/zinc/23/13/99/326231399.db2.gz QXAWKDUAJYKIGV-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCc1noc(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC000567906860 326281144 /nfs/dbraw/zinc/28/11/44/326281144.db2.gz ZNZAJYFAOVCSSS-UHFFFAOYSA-N 1 2 248.286 1.840 20 0 BDADLO C[C@@H](CC(=O)NCCCCF)n1cc[nH+]c1 ZINC000567993140 326293074 /nfs/dbraw/zinc/29/30/74/326293074.db2.gz GUDFPHFMHQCXBF-JTQLQIEISA-N 1 2 227.283 1.700 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000568029045 326298082 /nfs/dbraw/zinc/29/80/82/326298082.db2.gz QYRFTGKCWSNEJA-QWHCGFSZSA-N 1 2 247.342 1.515 20 0 BDADLO CCn1ccnc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568069695 326303369 /nfs/dbraw/zinc/30/33/69/326303369.db2.gz MJKWLYWCCKTVFS-UHFFFAOYSA-N 1 2 247.302 1.291 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1[nH]cc[nH+]1 ZINC000568107321 326308924 /nfs/dbraw/zinc/30/89/24/326308924.db2.gz JLHVYIYDONFFDY-VDDIYKPWSA-N 1 2 235.287 1.014 20 0 BDADLO COCc1ccc(C[NH2+]Cc2ncccn2)cc1 ZINC000568108615 326309350 /nfs/dbraw/zinc/30/93/50/326309350.db2.gz GWXAADWDMLTFOY-UHFFFAOYSA-N 1 2 243.310 1.913 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C=CCCC1 ZINC000568198153 326324910 /nfs/dbraw/zinc/32/49/10/326324910.db2.gz UZHNASVVSLGJOO-MNOVXSKESA-N 1 2 233.315 1.813 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C=CCCC1 ZINC000568198153 326324913 /nfs/dbraw/zinc/32/49/13/326324913.db2.gz UZHNASVVSLGJOO-MNOVXSKESA-N 1 2 233.315 1.813 20 0 BDADLO CCc1cc(N2Cc3cncnc3C2)nc(C)[nH+]1 ZINC000568248457 326334217 /nfs/dbraw/zinc/33/42/17/326334217.db2.gz RJOUIGXLJOHZAM-UHFFFAOYSA-N 1 2 241.298 1.658 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CC[C@@H](C)O1 ZINC000568249243 326334782 /nfs/dbraw/zinc/33/47/82/326334782.db2.gz LNXHHDBPWYYKPI-KOLCDFICSA-N 1 2 221.304 1.495 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H](C)CCCO ZINC000568249060 326334861 /nfs/dbraw/zinc/33/48/61/326334861.db2.gz GLKZJLGXSSKFMU-SECBINFHSA-N 1 2 223.320 1.336 20 0 BDADLO Cc1[nH]c(CNCc2cc[nH]n2)[nH+]c1C ZINC000568269814 326336774 /nfs/dbraw/zinc/33/67/74/326336774.db2.gz YUTZVACJGIQQJS-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO Cc1[nH]c(CN[C@@H]2CCCc3c[nH]nc32)[nH+]c1C ZINC000568273438 326339210 /nfs/dbraw/zinc/33/92/10/326339210.db2.gz ROJDIQXVUNELNN-LLVKDONJSA-N 1 2 245.330 1.917 20 0 BDADLO C[C@@]1(C(=O)Nc2ccc3nn[nH]c3c2)CCC[NH2+]1 ZINC000568394921 326354160 /nfs/dbraw/zinc/35/41/60/326354160.db2.gz BPHNIHUZEJRCOT-LBPRGKRZSA-N 1 2 245.286 1.039 20 0 BDADLO [NH3+][C@H](C(=O)N[C@@H]1CC=CCC1)c1cscn1 ZINC000568525419 326362879 /nfs/dbraw/zinc/36/28/79/326362879.db2.gz PCBLJQFAKUBCQW-SCZZXKLOSA-N 1 2 237.328 1.368 20 0 BDADLO C[C@@H]1[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000568606876 326366992 /nfs/dbraw/zinc/36/69/92/326366992.db2.gz QTKMERSENVBKLS-MXWKQRLJSA-N 1 2 235.331 1.466 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCOC[C@H]1C)c1[nH]cc[nH+]1 ZINC000568662394 326371626 /nfs/dbraw/zinc/37/16/26/326371626.db2.gz AKZDZXREEKBYRL-OPRDCNLKSA-N 1 2 237.303 1.260 20 0 BDADLO c1[nH]cc(NC2CCN(c3cnccn3)CC2)[nH+]1 ZINC000568809914 326378040 /nfs/dbraw/zinc/37/80/40/326378040.db2.gz BENOBOJWABAUSE-UHFFFAOYSA-N 1 2 244.302 1.281 20 0 BDADLO CC(C)c1nc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)no1 ZINC000569018124 326386885 /nfs/dbraw/zinc/38/68/85/326386885.db2.gz VOFFRKGYYGRHJL-DTWKUNHWSA-N 1 2 239.319 1.442 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000569189679 326394259 /nfs/dbraw/zinc/39/42/59/326394259.db2.gz HZKLXRYXKPZETE-MRVPVSSYSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000569189679 326394261 /nfs/dbraw/zinc/39/42/61/326394261.db2.gz HZKLXRYXKPZETE-MRVPVSSYSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nn(C)cc1CNc1ccc(N(C)C)c[nH+]1 ZINC000163331810 326400302 /nfs/dbraw/zinc/40/03/02/326400302.db2.gz ZQPLLBVAQNRIPG-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO CC[C@H](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000573035853 326426080 /nfs/dbraw/zinc/42/60/80/326426080.db2.gz KSNNBDURFXZDNP-JTQLQIEISA-N 1 2 221.304 1.703 20 0 BDADLO CC1=CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000667252551 487974559 /nfs/dbraw/zinc/97/45/59/487974559.db2.gz JRAXQIDOQQBCQT-LLVKDONJSA-N 1 2 248.330 1.843 20 0 BDADLO CC(C)[C@H]1CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682525568 487976518 /nfs/dbraw/zinc/97/65/18/487976518.db2.gz LZBVNCMBZXKLME-VXGBXAGGSA-N 1 2 247.342 1.702 20 0 BDADLO CC1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000220517402 487979989 /nfs/dbraw/zinc/97/99/89/487979989.db2.gz IKMLFERKOMCARR-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO CC1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000220517402 487979990 /nfs/dbraw/zinc/97/99/90/487979990.db2.gz IKMLFERKOMCARR-NSHDSACASA-N 1 2 247.342 1.773 20 0 BDADLO O[C@H]1C[N@H+](CC2CCC2)CC(F)(F)C1 ZINC000682542713 487981767 /nfs/dbraw/zinc/98/17/67/487981767.db2.gz HTDJJOMVVUXFCH-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@H]1C[N@@H+](CC2CCC2)CC(F)(F)C1 ZINC000682542713 487981774 /nfs/dbraw/zinc/98/17/74/487981774.db2.gz HTDJJOMVVUXFCH-SECBINFHSA-N 1 2 205.248 1.488 20 0 BDADLO O[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543611 487982441 /nfs/dbraw/zinc/98/24/41/487982441.db2.gz OFDLJSOVHKFGSS-ZJUUUORDSA-N 1 2 217.259 1.797 20 0 BDADLO O[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC(F)(F)C1 ZINC000682543611 487982444 /nfs/dbraw/zinc/98/24/44/487982444.db2.gz OFDLJSOVHKFGSS-ZJUUUORDSA-N 1 2 217.259 1.797 20 0 BDADLO CCOCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547002 487985196 /nfs/dbraw/zinc/98/51/96/487985196.db2.gz ONVQRNZSJPAOTJ-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO CCOCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682547002 487985200 /nfs/dbraw/zinc/98/52/00/487985200.db2.gz ONVQRNZSJPAOTJ-SECBINFHSA-N 1 2 223.263 1.115 20 0 BDADLO O[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC000682548821 487986869 /nfs/dbraw/zinc/98/68/69/487986869.db2.gz QVIILXTYWWKXHH-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO O[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC(F)(F)C1 ZINC000682548821 487986872 /nfs/dbraw/zinc/98/68/72/487986872.db2.gz QVIILXTYWWKXHH-ZJUUUORDSA-N 1 2 235.274 1.115 20 0 BDADLO Cc1ocnc1CNc1nc[nH+]c2c1OCCN2 ZINC000665709292 487996507 /nfs/dbraw/zinc/99/65/07/487996507.db2.gz KZCGAGOAWISVJN-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BDADLO Cc1ocnc1CNc1[nH+]cnc2c1OCCN2 ZINC000665709292 487996511 /nfs/dbraw/zinc/99/65/11/487996511.db2.gz KZCGAGOAWISVJN-UHFFFAOYSA-N 1 2 247.258 1.189 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H](C)c1ccccn1 ZINC000134825224 488000880 /nfs/dbraw/zinc/00/08/80/488000880.db2.gz GVAXBOFZEBTNIQ-MRVPVSSYSA-N 1 2 245.286 1.636 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H](C)c1ccccn1 ZINC000134825224 488000883 /nfs/dbraw/zinc/00/08/83/488000883.db2.gz GVAXBOFZEBTNIQ-MRVPVSSYSA-N 1 2 245.286 1.636 20 0 BDADLO CCc1cc(N(C)C[C@H]2CCC[C@H]2O)nc[nH+]1 ZINC000677239362 488005035 /nfs/dbraw/zinc/00/50/35/488005035.db2.gz FHDRORNSDQOOLJ-ZYHUDNBSSA-N 1 2 235.331 1.636 20 0 BDADLO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)sn1 ZINC000682672787 488009685 /nfs/dbraw/zinc/00/96/85/488009685.db2.gz HZVJZWUHWQLBHK-JTQLQIEISA-N 1 2 239.344 1.291 20 0 BDADLO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)sn1 ZINC000682672787 488009691 /nfs/dbraw/zinc/00/96/91/488009691.db2.gz HZVJZWUHWQLBHK-JTQLQIEISA-N 1 2 239.344 1.291 20 0 BDADLO CCN1OC[C@H]([N@H+](C)Cc2ccccc2)C1=O ZINC000682675563 488010505 /nfs/dbraw/zinc/01/05/05/488010505.db2.gz JIWLZNBWRPTXMR-LBPRGKRZSA-N 1 2 234.299 1.281 20 0 BDADLO CCN1OC[C@H]([N@@H+](C)Cc2ccccc2)C1=O ZINC000682675563 488010509 /nfs/dbraw/zinc/01/05/09/488010509.db2.gz JIWLZNBWRPTXMR-LBPRGKRZSA-N 1 2 234.299 1.281 20 0 BDADLO CN(Cc1nc(C(C)(C)C)no1)Cc1[nH]cc[nH+]1 ZINC000682673334 488010827 /nfs/dbraw/zinc/01/08/27/488010827.db2.gz PABOWKOKHAVWBI-UHFFFAOYSA-N 1 2 249.318 1.722 20 0 BDADLO C[C@]1([NH2+]Cc2n[nH]c3ccccc32)CCOC1 ZINC000677324221 488017775 /nfs/dbraw/zinc/01/77/75/488017775.db2.gz ZYKJFDIYSRVLCG-ZDUSSCGKSA-N 1 2 231.299 1.832 20 0 BDADLO OC[C@@H]1COCC[N@@H+]1Cc1ccccc1F ZINC000159276498 488019214 /nfs/dbraw/zinc/01/92/14/488019214.db2.gz MHXVKASAWQKZMM-LLVKDONJSA-N 1 2 225.263 1.019 20 0 BDADLO OC[C@@H]1COCC[N@H+]1Cc1ccccc1F ZINC000159276498 488019218 /nfs/dbraw/zinc/01/92/18/488019218.db2.gz MHXVKASAWQKZMM-LLVKDONJSA-N 1 2 225.263 1.019 20 0 BDADLO C[C@H](O)CCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682758218 488030197 /nfs/dbraw/zinc/03/01/97/488030197.db2.gz AWYMDDRVSSDZSR-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@H](O)CCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682758218 488030202 /nfs/dbraw/zinc/03/02/02/488030202.db2.gz AWYMDDRVSSDZSR-IUCAKERBSA-N 1 2 241.253 1.411 20 0 BDADLO Cc1cc(NC(=O)CCc2ccon2)cc[nH+]1 ZINC000668636663 488034564 /nfs/dbraw/zinc/03/45/64/488034564.db2.gz WKRHSILKVFFUKT-UHFFFAOYSA-N 1 2 231.255 1.371 20 0 BDADLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@H](O)C1 ZINC000667510848 488034773 /nfs/dbraw/zinc/03/47/73/488034773.db2.gz VNOMDEJSUIXJMG-ZETCQYMHSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@H](O)C1 ZINC000667510848 488034781 /nfs/dbraw/zinc/03/47/81/488034781.db2.gz VNOMDEJSUIXJMG-ZETCQYMHSA-N 1 2 249.236 1.006 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOC[C@@H]1CC ZINC000667532667 488040601 /nfs/dbraw/zinc/04/06/01/488040601.db2.gz VBJFHHZIMTVLRN-LBPRGKRZSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOC[C@@H]1CC ZINC000667532667 488040606 /nfs/dbraw/zinc/04/06/06/488040606.db2.gz VBJFHHZIMTVLRN-LBPRGKRZSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1ccc(CN(C)Cc2[nH]cc[nH+]2)nc1 ZINC000682788181 488041962 /nfs/dbraw/zinc/04/19/62/488041962.db2.gz RNCHTJVNOOEBCT-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000526031186 488049393 /nfs/dbraw/zinc/04/93/93/488049393.db2.gz YLONLRTTXPFUGQ-IAZYJMLFSA-N 1 2 219.288 1.257 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000526031186 488049400 /nfs/dbraw/zinc/04/94/00/488049400.db2.gz YLONLRTTXPFUGQ-IAZYJMLFSA-N 1 2 219.288 1.257 20 0 BDADLO CCc1cc(NC(=O)CCc2c[nH+]cn2C)n[nH]1 ZINC000670325506 488049483 /nfs/dbraw/zinc/04/94/83/488049483.db2.gz KNSLTEAEMMNRSG-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCCO[C@H](C)C1 ZINC000656117868 488051764 /nfs/dbraw/zinc/05/17/64/488051764.db2.gz MVERERGEJOCMIX-SECBINFHSA-N 1 2 237.303 1.409 20 0 BDADLO CC[C@@H]1C[C@H]1NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670079275 488062108 /nfs/dbraw/zinc/06/21/08/488062108.db2.gz GNGKZHGGGJTYPA-MWLCHTKSSA-N 1 2 248.330 1.490 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)CCCCO)on1 ZINC000566417631 488062837 /nfs/dbraw/zinc/06/28/37/488062837.db2.gz WYCMKXRHSJZPLB-UHFFFAOYSA-N 1 2 226.276 1.082 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)CCCCO)on1 ZINC000566417631 488062851 /nfs/dbraw/zinc/06/28/51/488062851.db2.gz WYCMKXRHSJZPLB-UHFFFAOYSA-N 1 2 226.276 1.082 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2cnn3c2CCC3)[C@H]1C ZINC000667639925 488065578 /nfs/dbraw/zinc/06/55/78/488065578.db2.gz GFENOEXVHJRGTK-QWRGUYRKSA-N 1 2 235.331 1.439 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2cnn3c2CCC3)[C@H]1C ZINC000667639925 488065580 /nfs/dbraw/zinc/06/55/80/488065580.db2.gz GFENOEXVHJRGTK-QWRGUYRKSA-N 1 2 235.331 1.439 20 0 BDADLO CCCNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670082119 488068004 /nfs/dbraw/zinc/06/80/04/488068004.db2.gz SFFNWQRGICUXSS-UHFFFAOYSA-N 1 2 222.292 1.101 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667648989 488071648 /nfs/dbraw/zinc/07/16/48/488071648.db2.gz FUYOQPQOFZQFKN-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000667648989 488071652 /nfs/dbraw/zinc/07/16/52/488071652.db2.gz FUYOQPQOFZQFKN-LBPRGKRZSA-N 1 2 236.319 1.224 20 0 BDADLO Cc1nc(C)c(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000685568654 488077300 /nfs/dbraw/zinc/07/73/00/488077300.db2.gz BYCABLVRGHSBIV-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1nc(C)c(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000685568654 488077303 /nfs/dbraw/zinc/07/73/03/488077303.db2.gz BYCABLVRGHSBIV-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1ccnc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000683001989 488083061 /nfs/dbraw/zinc/08/30/61/488083061.db2.gz UHSSAYRIVLNEQE-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO Cc1ccnc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000683001989 488083063 /nfs/dbraw/zinc/08/30/63/488083063.db2.gz UHSSAYRIVLNEQE-NEPJUHHUSA-N 1 2 220.316 1.999 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1ncccn1 ZINC000683014829 488093606 /nfs/dbraw/zinc/09/36/06/488093606.db2.gz XEENEXMYEVSZMN-UHFFFAOYSA-N 1 2 223.320 1.724 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1ncccn1 ZINC000683014829 488093610 /nfs/dbraw/zinc/09/36/10/488093610.db2.gz XEENEXMYEVSZMN-UHFFFAOYSA-N 1 2 223.320 1.724 20 0 BDADLO Cc1cnc(C[N@H+]2CCCOC[C@H]2C)nc1 ZINC000677695508 488093907 /nfs/dbraw/zinc/09/39/07/488093907.db2.gz VJMGYNNFXITCKD-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1cnc(C[N@@H+]2CCCOC[C@H]2C)nc1 ZINC000677695508 488093910 /nfs/dbraw/zinc/09/39/10/488093910.db2.gz VJMGYNNFXITCKD-LLVKDONJSA-N 1 2 221.304 1.396 20 0 BDADLO Cc1ccnc(CN(C)Cc2[nH+]ccn2C)c1 ZINC000683019950 488096645 /nfs/dbraw/zinc/09/66/45/488096645.db2.gz YLNKWHYKASRHDT-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cn1cc[nH+]c1-c1ccccc1CCO ZINC000258154315 488103264 /nfs/dbraw/zinc/10/32/64/488103264.db2.gz OXLPUMCORWKXGA-UHFFFAOYSA-N 1 2 202.257 1.622 20 0 BDADLO FC1(F)CC2(C[NH+](Cc3ccno3)C2)C1 ZINC000677733612 488111727 /nfs/dbraw/zinc/11/17/27/488111727.db2.gz NDEBIXCVSWJXRO-UHFFFAOYSA-N 1 2 214.215 1.906 20 0 BDADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000670108251 488116684 /nfs/dbraw/zinc/11/66/84/488116684.db2.gz WRTCGQGMFMXYLN-XPUUQOCRSA-N 1 2 247.245 1.753 20 0 BDADLO Cc1noc([C@H](C)[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000670108251 488116688 /nfs/dbraw/zinc/11/66/88/488116688.db2.gz WRTCGQGMFMXYLN-XPUUQOCRSA-N 1 2 247.245 1.753 20 0 BDADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCC1 ZINC000669246034 488123949 /nfs/dbraw/zinc/12/39/49/488123949.db2.gz FUTMJTACVOZVSO-GHMZBOCLSA-N 1 2 233.315 1.535 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC000247486511 488124212 /nfs/dbraw/zinc/12/42/12/488124212.db2.gz GJVWPKHOZQWQOI-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC000247486511 488124214 /nfs/dbraw/zinc/12/42/14/488124214.db2.gz GJVWPKHOZQWQOI-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1occc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668790058 487540071 /nfs/dbraw/zinc/54/00/71/487540071.db2.gz IVGNZFQLJWRFQR-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO Cc1occc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668790058 487540076 /nfs/dbraw/zinc/54/00/76/487540076.db2.gz IVGNZFQLJWRFQR-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccsc1 ZINC000392461500 487540559 /nfs/dbraw/zinc/54/05/59/487540559.db2.gz PAJLZCIAIJJTMP-ZCFIWIBFSA-N 1 2 224.289 1.423 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)o1 ZINC000685570610 487552724 /nfs/dbraw/zinc/55/27/24/487552724.db2.gz HWOYDABSFPITFP-MNOVXSKESA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)o1 ZINC000685570610 487552726 /nfs/dbraw/zinc/55/27/26/487552726.db2.gz HWOYDABSFPITFP-MNOVXSKESA-N 1 2 237.347 1.816 20 0 BDADLO CN(C)c1cc[nH+]c(NC(=O)c2ccncc2)c1 ZINC000680253546 487553469 /nfs/dbraw/zinc/55/34/69/487553469.db2.gz GMEFNYKMUQKKAX-UHFFFAOYSA-N 1 2 242.282 1.795 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)s1 ZINC000680072361 487531838 /nfs/dbraw/zinc/53/18/38/487531838.db2.gz MYIQYUSWTXONBZ-BDAKNGLRSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@H](O)[C@H](CC)C2)s1 ZINC000680072361 487531843 /nfs/dbraw/zinc/53/18/43/487531843.db2.gz MYIQYUSWTXONBZ-BDAKNGLRSA-N 1 2 241.360 1.303 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000680070873 487531995 /nfs/dbraw/zinc/53/19/95/487531995.db2.gz OMFIDXJELZXVIB-SFYZADRCSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](O)C[C@H]2C)s1 ZINC000680070873 487532000 /nfs/dbraw/zinc/53/20/00/487532000.db2.gz OMFIDXJELZXVIB-SFYZADRCSA-N 1 2 227.333 1.056 20 0 BDADLO CCc1nnc(C[N@@H+]2CCC[C@@](C)(O)C2)s1 ZINC000680073129 487532066 /nfs/dbraw/zinc/53/20/66/487532066.db2.gz IHYUMEMFIFCODB-LLVKDONJSA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CCC[C@@](C)(O)C2)s1 ZINC000680073129 487532069 /nfs/dbraw/zinc/53/20/69/487532069.db2.gz IHYUMEMFIFCODB-LLVKDONJSA-N 1 2 241.360 1.447 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1cncs1)CC2 ZINC000679908858 487483798 /nfs/dbraw/zinc/48/37/98/487483798.db2.gz GGZMEYPSZUTRSU-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO C[C@H](O)C[N@H+](Cc1nccn1C(F)F)C1CC1 ZINC000685000445 487487710 /nfs/dbraw/zinc/48/77/10/487487710.db2.gz IHUSQIVOBJXKHF-QMMMGPOBSA-N 1 2 245.273 1.623 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1nccn1C(F)F)C1CC1 ZINC000685000445 487487713 /nfs/dbraw/zinc/48/77/13/487487713.db2.gz IHUSQIVOBJXKHF-QMMMGPOBSA-N 1 2 245.273 1.623 20 0 BDADLO CC1(C)CC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000668758736 487492197 /nfs/dbraw/zinc/49/21/97/487492197.db2.gz GXMGQQJFIGFYPT-NSHDSACASA-N 1 2 233.315 1.703 20 0 BDADLO Cn1nnc(C[NH+]2CCC(C3CCCC3)CC2)n1 ZINC000685036272 487493265 /nfs/dbraw/zinc/49/32/65/487493265.db2.gz FHTPRKMLDPWGML-UHFFFAOYSA-N 1 2 249.362 1.612 20 0 BDADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674014128 487501507 /nfs/dbraw/zinc/50/15/07/487501507.db2.gz YLSHZHNQCYLVMN-LDYMZIIASA-N 1 2 222.263 1.446 20 0 BDADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674014128 487501511 /nfs/dbraw/zinc/50/15/11/487501511.db2.gz YLSHZHNQCYLVMN-LDYMZIIASA-N 1 2 222.263 1.446 20 0 BDADLO CC(=O)c1ccnc(NCCCn2cc[nH+]c2)c1 ZINC000685262816 487506875 /nfs/dbraw/zinc/50/68/75/487506875.db2.gz IQZQUYPMZQXOBG-UHFFFAOYSA-N 1 2 244.298 1.983 20 0 BDADLO Cc1cccc2ncc(C[NH2+]Cc3cocn3)n21 ZINC000674046536 487504216 /nfs/dbraw/zinc/50/42/16/487504216.db2.gz UIKRLECXFSBKJL-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nn2)c(C)n1 ZINC000679994553 487511705 /nfs/dbraw/zinc/51/17/05/487511705.db2.gz XORBQSNLGSDYHD-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO CCC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CC1 ZINC000674090372 487516705 /nfs/dbraw/zinc/51/67/05/487516705.db2.gz XZGMVJWGYKLIMH-UHFFFAOYSA-N 1 2 246.310 1.861 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCc3c[nH]nc3C2)nn1 ZINC000685419814 487519228 /nfs/dbraw/zinc/51/92/28/487519228.db2.gz VYUNGSASLLHQGX-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCc3c[nH]nc3C2)nn1 ZINC000685419814 487519232 /nfs/dbraw/zinc/51/92/32/487519232.db2.gz VYUNGSASLLHQGX-UHFFFAOYSA-N 1 2 246.318 1.140 20 0 BDADLO CCc1nnc(COCc2[nH]cc[nH+]2)s1 ZINC000680024643 487520088 /nfs/dbraw/zinc/52/00/88/487520088.db2.gz LGSAIHBSJQMGRL-UHFFFAOYSA-N 1 2 224.289 1.540 20 0 BDADLO CCc1nnc(C[N@H+](CCO)C2CC2)s1 ZINC000680046279 487525943 /nfs/dbraw/zinc/52/59/43/487525943.db2.gz WPROOKWVVIPFTB-UHFFFAOYSA-N 1 2 227.333 1.057 20 0 BDADLO CCc1nnc(C[N@@H+](CCO)C2CC2)s1 ZINC000680046279 487525951 /nfs/dbraw/zinc/52/59/51/487525951.db2.gz WPROOKWVVIPFTB-UHFFFAOYSA-N 1 2 227.333 1.057 20 0 BDADLO FC(F)O[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000683355043 488152781 /nfs/dbraw/zinc/15/27/81/488152781.db2.gz MMMMWMCDJQCNLO-SECBINFHSA-N 1 2 232.230 1.878 20 0 BDADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000683355043 488152784 /nfs/dbraw/zinc/15/27/84/488152784.db2.gz MMMMWMCDJQCNLO-SECBINFHSA-N 1 2 232.230 1.878 20 0 BDADLO CCC1C[NH+](Cc2cn(C3CCC3)nn2)C1 ZINC000668229837 490041816 /nfs/dbraw/zinc/04/18/16/490041816.db2.gz VFCXRRJKMKPNCG-UHFFFAOYSA-N 1 2 220.320 1.845 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1ccc(OC)cc1F ZINC000668789074 487535205 /nfs/dbraw/zinc/53/52/05/487535205.db2.gz ZIYWLNCHOMLZPF-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1ccc(OC)cc1F ZINC000668789074 487535209 /nfs/dbraw/zinc/53/52/09/487535209.db2.gz ZIYWLNCHOMLZPF-UHFFFAOYSA-N 1 2 240.278 1.012 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C(C)(C)O)[nH+]1 ZINC000674336835 487561491 /nfs/dbraw/zinc/56/14/91/487561491.db2.gz VWIKPTNAILCAGC-ZETCQYMHSA-N 1 2 234.303 1.838 20 0 BDADLO C[C@@H](NC(=O)[C@H]1Cc2ccccc21)c1[nH]cc[nH+]1 ZINC000141045910 487570632 /nfs/dbraw/zinc/57/06/32/487570632.db2.gz TYEATLOTVGHTOO-SKDRFNHKSA-N 1 2 241.294 1.927 20 0 BDADLO c1[nH+]cn2c1CN(c1ncnc3c1CCC3)CC2 ZINC000685925715 487598242 /nfs/dbraw/zinc/59/82/42/487598242.db2.gz CETCQHBMFBXTHJ-UHFFFAOYSA-N 1 2 241.298 1.182 20 0 BDADLO Cc1cccc(C[N@H+](C)Cc2cn[nH]c2)n1 ZINC000674753569 487612992 /nfs/dbraw/zinc/61/29/92/487612992.db2.gz ZVWOHIUQDSDYTM-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO Cc1cccc(C[N@@H+](C)Cc2cn[nH]c2)n1 ZINC000674753569 487612994 /nfs/dbraw/zinc/61/29/94/487612994.db2.gz ZVWOHIUQDSDYTM-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1C2CCC1CC2 ZINC000665852046 487634405 /nfs/dbraw/zinc/63/44/05/487634405.db2.gz ZOVSAQHIXXEPLB-KPPDAEKUSA-N 1 2 245.326 1.668 20 0 BDADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1C2CCC1CC2 ZINC000665852046 487634412 /nfs/dbraw/zinc/63/44/12/487634412.db2.gz ZOVSAQHIXXEPLB-KPPDAEKUSA-N 1 2 245.326 1.668 20 0 BDADLO Cc1c[nH]nc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669604104 487753260 /nfs/dbraw/zinc/75/32/60/487753260.db2.gz ODRIHQUUSFYFLN-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO OCC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000227430518 487898923 /nfs/dbraw/zinc/89/89/23/487898923.db2.gz IYKZNYCSPDIUBQ-NSHDSACASA-N 1 2 236.315 1.173 20 0 BDADLO Cc1nc(C(=O)Nc2cc[nH+]c(C)c2)co1 ZINC000669944514 487952572 /nfs/dbraw/zinc/95/25/72/487952572.db2.gz VMJTWNWOUPDPEI-UHFFFAOYSA-N 1 2 217.228 1.361 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)C1CC2(CC2)C1 ZINC000668603393 487995867 /nfs/dbraw/zinc/99/58/67/487995867.db2.gz DRFMDLCGMBIGBZ-UHFFFAOYSA-N 1 2 205.261 1.216 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000294429036 488150440 /nfs/dbraw/zinc/15/04/40/488150440.db2.gz ZRJZIUVHOWZMNT-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000294429036 488150443 /nfs/dbraw/zinc/15/04/43/488150443.db2.gz ZRJZIUVHOWZMNT-DTWKUNHWSA-N 1 2 207.277 1.209 20 0 BDADLO Cc1cncc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000683394810 488157110 /nfs/dbraw/zinc/15/71/10/488157110.db2.gz FVEDZHSOOJUHNC-UHFFFAOYSA-N 1 2 248.330 1.062 20 0 BDADLO CN(Cc1cnn2c1CCC2)Cc1[nH+]ccn1C ZINC000667948278 488166602 /nfs/dbraw/zinc/16/66/02/488166602.db2.gz WSIYXEIGHKYSCX-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCc1cc(NCc2nnc(C3CC3)o2)nc[nH+]1 ZINC000683459968 488167185 /nfs/dbraw/zinc/16/71/85/488167185.db2.gz YDKIQYXMUMHXBR-UHFFFAOYSA-N 1 2 245.286 1.912 20 0 BDADLO CCc1cc(NC[C@H]2CC[C@@H](C)O2)nc[nH+]1 ZINC000397982308 488178634 /nfs/dbraw/zinc/17/86/34/488178634.db2.gz ILFJODLLPTUGPJ-MWLCHTKSSA-N 1 2 221.304 1.440 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](C)CO)no1 ZINC000678044649 488180178 /nfs/dbraw/zinc/18/01/78/488180178.db2.gz WZGUUXSSZJGUIR-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](C)CO)no1 ZINC000678044649 488180182 /nfs/dbraw/zinc/18/01/82/488180182.db2.gz WZGUUXSSZJGUIR-KOLCDFICSA-N 1 2 239.319 1.533 20 0 BDADLO CCc1noc(C[N@@H+]2CCC23CCOCC3)n1 ZINC000683527614 488187610 /nfs/dbraw/zinc/18/76/10/488187610.db2.gz YSRWPSIFHDJWGQ-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO CCc1noc(C[N@H+]2CCC23CCOCC3)n1 ZINC000683527614 488187615 /nfs/dbraw/zinc/18/76/15/488187615.db2.gz YSRWPSIFHDJWGQ-UHFFFAOYSA-N 1 2 237.303 1.387 20 0 BDADLO c1coc(Sc2cc(-n3cc[nH+]c3)ncn2)n1 ZINC000683535253 488189513 /nfs/dbraw/zinc/18/95/13/488189513.db2.gz VERDXZKXVLNKMS-UHFFFAOYSA-N 1 2 245.267 1.802 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668086911 488200411 /nfs/dbraw/zinc/20/04/11/488200411.db2.gz VVNDAWNIHZKLPR-QWRGUYRKSA-N 1 2 247.342 1.916 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668086911 488200416 /nfs/dbraw/zinc/20/04/16/488200416.db2.gz VVNDAWNIHZKLPR-QWRGUYRKSA-N 1 2 247.342 1.916 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H]2C[C@@H]21 ZINC000672123565 488206188 /nfs/dbraw/zinc/20/61/88/488206188.db2.gz YTBZPQQBXCCSTN-PWSUYJOCSA-N 1 2 241.294 1.959 20 0 BDADLO Cc1cccn2cc(CN3CCO[C@H](C)C3)[nH+]c12 ZINC000078344710 488206536 /nfs/dbraw/zinc/20/65/36/488206536.db2.gz LVNTYYGDKSGWSD-GFCCVEGCSA-N 1 2 245.326 1.863 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC2(CCC2)CC1 ZINC000308716832 488216639 /nfs/dbraw/zinc/21/66/39/488216639.db2.gz KNAKQLCLABWTSJ-UHFFFAOYSA-N 1 2 248.330 1.838 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC2(CCC2)CC1 ZINC000308716832 488216642 /nfs/dbraw/zinc/21/66/42/488216642.db2.gz KNAKQLCLABWTSJ-UHFFFAOYSA-N 1 2 248.330 1.838 20 0 BDADLO O=C(c1ncc[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000668192091 488218261 /nfs/dbraw/zinc/21/82/61/488218261.db2.gz UALNUJJILSCIQH-SNVBAGLBSA-N 1 2 245.286 1.084 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000668203708 488223811 /nfs/dbraw/zinc/22/38/11/488223811.db2.gz QGDVVEGDLDQTLG-NSHDSACASA-N 1 2 235.331 1.514 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1ccnn1CC1CC1 ZINC000668203708 488223812 /nfs/dbraw/zinc/22/38/12/488223812.db2.gz QGDVVEGDLDQTLG-NSHDSACASA-N 1 2 235.331 1.514 20 0 BDADLO Cn1cc[nH+]c1[C@H]1N(Cc2cocn2)CC1(C)C ZINC000668205702 488224142 /nfs/dbraw/zinc/22/41/42/488224142.db2.gz WDGZEKKEXOMEPC-LLVKDONJSA-N 1 2 246.314 1.991 20 0 BDADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC000323869699 488225790 /nfs/dbraw/zinc/22/57/90/488225790.db2.gz LGDGDDFAFQTKOP-JTQLQIEISA-N 1 2 231.303 1.964 20 0 BDADLO CCCn1cc(C[N@H+](C)Cc2cn[nH]c2)cn1 ZINC000678266151 488226443 /nfs/dbraw/zinc/22/64/43/488226443.db2.gz PDUNXVCWGNJHMH-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO CCCn1cc(C[N@@H+](C)Cc2cn[nH]c2)cn1 ZINC000678266151 488226444 /nfs/dbraw/zinc/22/64/44/488226444.db2.gz PDUNXVCWGNJHMH-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC=CC1 ZINC000675281579 488227078 /nfs/dbraw/zinc/22/70/78/488227078.db2.gz CCBBOFWQYHSDFU-SNVBAGLBSA-N 1 2 234.303 1.289 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000678275932 488235185 /nfs/dbraw/zinc/23/51/85/488235185.db2.gz LOJWBJHOKQHLRG-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000678275932 488235186 /nfs/dbraw/zinc/23/51/86/488235186.db2.gz LOJWBJHOKQHLRG-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000678275932 488235187 /nfs/dbraw/zinc/23/51/87/488235187.db2.gz LOJWBJHOKQHLRG-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000678275932 488235188 /nfs/dbraw/zinc/23/51/88/488235188.db2.gz LOJWBJHOKQHLRG-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO Cn1nncc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678283420 488236770 /nfs/dbraw/zinc/23/67/70/488236770.db2.gz LCWAXRIMTDDLNS-ZDUSSCGKSA-N 1 2 246.289 1.901 20 0 BDADLO Cn1nncc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678283420 488236772 /nfs/dbraw/zinc/23/67/72/488236772.db2.gz LCWAXRIMTDDLNS-ZDUSSCGKSA-N 1 2 246.289 1.901 20 0 BDADLO CC[C@H]1CN(Cc2cn(C)c[nH+]2)CCO1 ZINC000683899651 488237656 /nfs/dbraw/zinc/23/76/56/488237656.db2.gz XGNGLNCJVJFVAK-NSHDSACASA-N 1 2 209.293 1.031 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)Cc1ccco1 ZINC000683896909 488238607 /nfs/dbraw/zinc/23/86/07/488238607.db2.gz CKRBUMANGOJYQG-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cnc(C[N@H+](C)Cc2ccco2)c1 ZINC000683896909 488238609 /nfs/dbraw/zinc/23/86/09/488238609.db2.gz CKRBUMANGOJYQG-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1cnc(C[N@@H+](C)Cc2ccco2)c1 ZINC000683896909 488238612 /nfs/dbraw/zinc/23/86/12/488238612.db2.gz CKRBUMANGOJYQG-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccccn1 ZINC000672144647 488240211 /nfs/dbraw/zinc/24/02/11/488240211.db2.gz BZVKFSZQXABEPW-JTQLQIEISA-N 1 2 242.282 1.023 20 0 BDADLO CC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147910 488240233 /nfs/dbraw/zinc/24/02/33/488240233.db2.gz ZGNQNXJUYKIJPJ-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO CCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145171 488241102 /nfs/dbraw/zinc/24/11/02/488241102.db2.gz YBFYLSIWTXMBHM-VIFPVBQESA-N 1 2 207.277 1.114 20 0 BDADLO COC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccccc1 ZINC000683899373 488241428 /nfs/dbraw/zinc/24/14/28/488241428.db2.gz FBHZOZZVIGQUNL-CQSZACIVSA-N 1 2 245.326 1.897 20 0 BDADLO Cc1c[nH]cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672158411 488243267 /nfs/dbraw/zinc/24/32/67/488243267.db2.gz YMNGVHGPMYERCJ-JTQLQIEISA-N 1 2 244.298 1.264 20 0 BDADLO Cc1nnc(N2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000672207600 488244811 /nfs/dbraw/zinc/24/48/11/488244811.db2.gz HODSNQALPCKAFH-JTQLQIEISA-N 1 2 233.275 1.416 20 0 BDADLO CCc1nc(-n2cnc(CCCO)c2)cc(C)[nH+]1 ZINC000672211122 488245160 /nfs/dbraw/zinc/24/51/60/488245160.db2.gz SWEKYVIJZTZGFJ-UHFFFAOYSA-N 1 2 246.314 1.458 20 0 BDADLO O=C1CCC[C@@H](CNc2cc[nH+]c(C3CC3)n2)N1 ZINC000683938998 488248326 /nfs/dbraw/zinc/24/83/26/488248326.db2.gz YMYDVVTWJXHSCM-JTQLQIEISA-N 1 2 246.314 1.435 20 0 BDADLO C[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1F ZINC000683995814 488254119 /nfs/dbraw/zinc/25/41/19/488254119.db2.gz KZENGCJKVOUNOC-GMTAPVOTSA-N 1 2 249.351 1.101 20 0 BDADLO C[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1F ZINC000683995814 488254121 /nfs/dbraw/zinc/25/41/21/488254121.db2.gz KZENGCJKVOUNOC-GMTAPVOTSA-N 1 2 249.351 1.101 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000683996385 488254129 /nfs/dbraw/zinc/25/41/29/488254129.db2.gz RWIMWEVGTLUWCQ-SECBINFHSA-N 1 2 244.289 1.946 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000683996385 488254131 /nfs/dbraw/zinc/25/41/31/488254131.db2.gz RWIMWEVGTLUWCQ-SECBINFHSA-N 1 2 244.289 1.946 20 0 BDADLO Cc1nc(N2CCCC[C@H]2CC(N)=O)cc[nH+]1 ZINC000678612747 488272328 /nfs/dbraw/zinc/27/23/28/488272328.db2.gz NTNNXZDQCVFLKO-JTQLQIEISA-N 1 2 234.303 1.019 20 0 BDADLO FC1(F)CC[N@H+](C[C@@H]2CNc3ccnn3C2)C1 ZINC000684201193 488275473 /nfs/dbraw/zinc/27/54/73/488275473.db2.gz OZHKLLJVOJVBIT-VIFPVBQESA-N 1 2 242.273 1.266 20 0 BDADLO FC1(F)CC[N@@H+](C[C@@H]2CNc3ccnn3C2)C1 ZINC000684201193 488275475 /nfs/dbraw/zinc/27/54/75/488275475.db2.gz OZHKLLJVOJVBIT-VIFPVBQESA-N 1 2 242.273 1.266 20 0 BDADLO c1cn(CCCNc2cc3c(nn2)CCC3)c[nH+]1 ZINC000678710352 488276960 /nfs/dbraw/zinc/27/69/60/488276960.db2.gz MXWMRQOHDJBQNQ-UHFFFAOYSA-N 1 2 243.314 1.664 20 0 BDADLO COc1cc(CNc2cc[nH+]cc2F)ccn1 ZINC000678788964 488283546 /nfs/dbraw/zinc/28/35/46/488283546.db2.gz RIVOHHKLDABRJT-UHFFFAOYSA-N 1 2 233.246 1.658 20 0 BDADLO c1ccc(-n2nnnc2C[N@H+]2CC=CCC2)cc1 ZINC000679321919 488335835 /nfs/dbraw/zinc/33/58/35/488335835.db2.gz OBZHQNNYWXWPBK-UHFFFAOYSA-N 1 2 241.298 1.424 20 0 BDADLO c1ccc(-n2nnnc2C[N@@H+]2CC=CCC2)cc1 ZINC000679321919 488335838 /nfs/dbraw/zinc/33/58/38/488335838.db2.gz OBZHQNNYWXWPBK-UHFFFAOYSA-N 1 2 241.298 1.424 20 0 BDADLO Cn1c[nH+]c(CNc2cnc3c(c2)COCC3)c1 ZINC000673606583 488297540 /nfs/dbraw/zinc/29/75/40/488297540.db2.gz XAADHFLITONSHY-UHFFFAOYSA-N 1 2 244.298 1.500 20 0 BDADLO CCc1cccc(F)c1C[NH2+]Cc1cn(C)nn1 ZINC000684393152 488305176 /nfs/dbraw/zinc/30/51/76/488305176.db2.gz FVOSHTJPXOZDLO-UHFFFAOYSA-N 1 2 248.305 1.806 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1Cc2ccc(F)cc21 ZINC000684446004 488314162 /nfs/dbraw/zinc/31/41/62/488314162.db2.gz GIVPHDFVPHDCEF-LBPRGKRZSA-N 1 2 245.257 1.505 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1Cc2ccc(F)cc21 ZINC000684446004 488314164 /nfs/dbraw/zinc/31/41/64/488314164.db2.gz GIVPHDFVPHDCEF-LBPRGKRZSA-N 1 2 245.257 1.505 20 0 BDADLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCC1=O ZINC000684480534 488319919 /nfs/dbraw/zinc/31/99/19/488319919.db2.gz CAEHJQRTJIVJNO-LLVKDONJSA-N 1 2 249.314 1.101 20 0 BDADLO CC(C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222698 488320654 /nfs/dbraw/zinc/32/06/54/488320654.db2.gz JSYCXVAJTWQWON-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO CC(C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222698 488320656 /nfs/dbraw/zinc/32/06/56/488320656.db2.gz JSYCXVAJTWQWON-NXEZZACHSA-N 1 2 216.300 1.191 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1ncc(C2CC2)o1 ZINC000684619853 488334188 /nfs/dbraw/zinc/33/41/88/488334188.db2.gz RVHGALORVHICOV-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)Cc1ncc(C2CC2)o1 ZINC000684619853 488334191 /nfs/dbraw/zinc/33/41/91/488334191.db2.gz RVHGALORVHICOV-UHFFFAOYSA-N 1 2 232.287 1.907 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000679353255 488343301 /nfs/dbraw/zinc/34/33/01/488343301.db2.gz XMIWZHZAYWLSOY-VHSXEESVSA-N 1 2 233.319 1.654 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000679360921 488346723 /nfs/dbraw/zinc/34/67/23/488346723.db2.gz XGURTPLAYSLUJC-LLVKDONJSA-N 1 2 209.293 1.267 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000679360921 488346725 /nfs/dbraw/zinc/34/67/25/488346725.db2.gz XGURTPLAYSLUJC-LLVKDONJSA-N 1 2 209.293 1.267 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@H](OC(F)F)C2)n1 ZINC000679679075 488363533 /nfs/dbraw/zinc/36/35/33/488363533.db2.gz QIOFJMVKMVTJDM-QMMMGPOBSA-N 1 2 247.245 1.582 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@H](OC(F)F)C2)n1 ZINC000679679075 488363534 /nfs/dbraw/zinc/36/35/34/488363534.db2.gz QIOFJMVKMVTJDM-QMMMGPOBSA-N 1 2 247.245 1.582 20 0 BDADLO Cc1cn2c(n1)CN(c1cc[nH+]c(C)n1)CC2 ZINC000679845727 488368504 /nfs/dbraw/zinc/36/85/04/488368504.db2.gz JDMJJRNCKJKVFJ-UHFFFAOYSA-N 1 2 229.287 1.310 20 0 BDADLO COC1(CNc2cc[nH+]c(C)n2)CCOCC1 ZINC000120586062 490065082 /nfs/dbraw/zinc/06/50/82/490065082.db2.gz YXCOOPLQVGJBTH-UHFFFAOYSA-N 1 2 237.303 1.393 20 0 BDADLO CC[C@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)CO1 ZINC000668284433 490085715 /nfs/dbraw/zinc/08/57/15/490085715.db2.gz MJMSZIMJYFHFKQ-AAEUAGOBSA-N 1 2 249.358 1.829 20 0 BDADLO Nc1nc(C[N@H+]2CC=CCC2)nc2ccccc12 ZINC000679322439 490114100 /nfs/dbraw/zinc/11/41/00/490114100.db2.gz JLZCKKFIQBPYDC-UHFFFAOYSA-N 1 2 240.310 1.974 20 0 BDADLO Nc1nc(C[N@@H+]2CC=CCC2)nc2ccccc12 ZINC000679322439 490114103 /nfs/dbraw/zinc/11/41/03/490114103.db2.gz JLZCKKFIQBPYDC-UHFFFAOYSA-N 1 2 240.310 1.974 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCSC(C)C)o1 ZINC000595699354 490165035 /nfs/dbraw/zinc/16/50/35/490165035.db2.gz IYAMGMCNICIUTB-UHFFFAOYSA-N 1 2 229.349 1.951 20 0 BDADLO Cc1nnc(C[N@H+](C)CCSC(C)C)o1 ZINC000595699354 490165038 /nfs/dbraw/zinc/16/50/38/490165038.db2.gz IYAMGMCNICIUTB-UHFFFAOYSA-N 1 2 229.349 1.951 20 0 BDADLO Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657570366 490284698 /nfs/dbraw/zinc/28/46/98/490284698.db2.gz RVXKQAZXECMOFE-JOYOIKCWSA-N 1 2 243.314 1.777 20 0 BDADLO Cc1ncccc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657570367 490284935 /nfs/dbraw/zinc/28/49/35/490284935.db2.gz RVXKQAZXECMOFE-SKDRFNHKSA-N 1 2 243.314 1.777 20 0 BDADLO Cc1ncsc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657570778 490285611 /nfs/dbraw/zinc/28/56/11/490285611.db2.gz TWXNNHSADCAMPO-APPZFPTMSA-N 1 2 249.343 1.839 20 0 BDADLO Cc1ccoc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657570765 490286235 /nfs/dbraw/zinc/28/62/35/490286235.db2.gz SYSJZLWIZMQHNB-ZJUUUORDSA-N 1 2 232.287 1.975 20 0 BDADLO CCCn1ncnc1C[N@H+](CCCO)C1CC1 ZINC000404300179 490334129 /nfs/dbraw/zinc/33/41/29/490334129.db2.gz GQOLQHVHLDMHFN-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO CCCn1ncnc1C[N@@H+](CCCO)C1CC1 ZINC000404300179 490334135 /nfs/dbraw/zinc/33/41/35/490334135.db2.gz GQOLQHVHLDMHFN-UHFFFAOYSA-N 1 2 238.335 1.035 20 0 BDADLO c1c[nH+]c([C@@H]2CCCCN2Cc2cncnc2)[nH]1 ZINC000125216101 490420091 /nfs/dbraw/zinc/42/00/91/490420091.db2.gz WDZQAOAFUWGBCH-LBPRGKRZSA-N 1 2 243.314 1.927 20 0 BDADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128370646 490578182 /nfs/dbraw/zinc/57/81/82/490578182.db2.gz SOZLLAVUVYGSKB-WPRPVWTQSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128370646 490578185 /nfs/dbraw/zinc/57/81/85/490578185.db2.gz SOZLLAVUVYGSKB-WPRPVWTQSA-N 1 2 227.333 1.273 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128394763 490578762 /nfs/dbraw/zinc/57/87/62/490578762.db2.gz HYWRFNKDCJNFMY-WDEREUQCSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128394763 490578767 /nfs/dbraw/zinc/57/87/67/490578767.db2.gz HYWRFNKDCJNFMY-WDEREUQCSA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000128394997 490579276 /nfs/dbraw/zinc/57/92/76/490579276.db2.gz HYWRFNKDCJNFMY-MNOVXSKESA-N 1 2 241.360 1.664 20 0 BDADLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000128394997 490579280 /nfs/dbraw/zinc/57/92/80/490579280.db2.gz HYWRFNKDCJNFMY-MNOVXSKESA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)C1CC1 ZINC000305844172 490619919 /nfs/dbraw/zinc/61/99/19/490619919.db2.gz SCXIDIHPCBZETD-SNVBAGLBSA-N 1 2 235.331 1.721 20 0 BDADLO Cn1c[nH+]c(CCNc2cc[nH+]c(C(=O)[O-])c2)c1 ZINC000313245574 491081711 /nfs/dbraw/zinc/08/17/11/491081711.db2.gz PTQAQCMEWSEWCY-UHFFFAOYSA-N 1 2 246.270 1.168 20 0 BDADLO c1ccc2c(c1)C[NH+](Cc1cncnc1)C2 ZINC000119941665 491093626 /nfs/dbraw/zinc/09/36/26/491093626.db2.gz COPUTBMRUWJCCO-UHFFFAOYSA-N 1 2 211.268 1.992 20 0 BDADLO Cc1cccc(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088753407 491108230 /nfs/dbraw/zinc/10/82/30/491108230.db2.gz JDBBZZMDGSVQOU-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1cccc(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088753407 491108232 /nfs/dbraw/zinc/10/82/32/491108232.db2.gz JDBBZZMDGSVQOU-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO Cc1nc(NCCCN2CCOC2=O)cc[nH+]1 ZINC000495921544 491108582 /nfs/dbraw/zinc/10/85/82/491108582.db2.gz LVWFPAIRSWYGPK-UHFFFAOYSA-N 1 2 236.275 1.039 20 0 BDADLO C[C@H]([NH2+]Cc1cnn2ccccc12)c1ncc[nH]1 ZINC000138943025 491129702 /nfs/dbraw/zinc/12/97/02/491129702.db2.gz ZMXHMEAYYQVALD-JTQLQIEISA-N 1 2 241.298 1.908 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCc1ccccc1 ZINC000307649232 491134093 /nfs/dbraw/zinc/13/40/93/491134093.db2.gz FYWCQABUPAXIDO-UHFFFAOYSA-N 1 2 244.298 1.420 20 0 BDADLO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(F)F ZINC000308587766 491137253 /nfs/dbraw/zinc/13/72/53/491137253.db2.gz JAQNHULHOZUJAN-JGVFFNPUSA-N 1 2 209.236 1.035 20 0 BDADLO CC[C@@H](C)C[N@H+](C)Cc1noc(COC)n1 ZINC000182474972 535492590 /nfs/dbraw/zinc/49/25/90/535492590.db2.gz LXNZYNRNGVBKQL-SECBINFHSA-N 1 2 227.308 1.694 20 0 BDADLO CC[C@@H](C)C[N@@H+](C)Cc1noc(COC)n1 ZINC000182474972 535492597 /nfs/dbraw/zinc/49/25/97/535492597.db2.gz LXNZYNRNGVBKQL-SECBINFHSA-N 1 2 227.308 1.694 20 0 BDADLO CSCC(C)(C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000890873453 582583534 /nfs/dbraw/zinc/58/35/34/582583534.db2.gz LAQGERJBWMOVGF-UHFFFAOYSA-N 1 2 241.360 1.518 20 0 BDADLO CSCC(C)(C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000890873453 582583536 /nfs/dbraw/zinc/58/35/36/582583536.db2.gz LAQGERJBWMOVGF-UHFFFAOYSA-N 1 2 241.360 1.518 20 0 BDADLO Cc1ccc(CCC(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000471969504 533765075 /nfs/dbraw/zinc/76/50/75/533765075.db2.gz IYTNYZAOZFLEBW-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO C[C@H](CC(=O)NC/C=C/Cl)n1cc[nH+]c1 ZINC000891200445 582626875 /nfs/dbraw/zinc/62/68/75/582626875.db2.gz HPZZNGVDMIOUIA-GKQMSVHHSA-N 1 2 227.695 1.703 20 0 BDADLO O=C(NC/C=C/Cl)[C@H]1CCc2[nH+]ccn2C1 ZINC000891200154 582625930 /nfs/dbraw/zinc/62/59/30/582625930.db2.gz RJHONWUUGJFYJX-PWTMJPFMSA-N 1 2 239.706 1.314 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1CCc2c[nH+]cn2C1 ZINC000891201418 582627332 /nfs/dbraw/zinc/62/73/32/582627332.db2.gz WYGPNMKJVVFHBB-CITMHJQUSA-N 1 2 239.706 1.314 20 0 BDADLO O=C(NC/C=C/Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC000891204692 582630380 /nfs/dbraw/zinc/63/03/80/582630380.db2.gz KKDJBZJOQXTYIX-FAIQTLDISA-N 1 2 239.706 1.314 20 0 BDADLO C[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H]1C ZINC000493354997 533910987 /nfs/dbraw/zinc/91/09/87/533910987.db2.gz PVWCYWTZKQFKNG-OKWQPMOJSA-N 1 2 219.288 1.680 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000891451162 582689862 /nfs/dbraw/zinc/68/98/62/582689862.db2.gz OINFVRMUENDZCF-LLVKDONJSA-N 1 2 221.304 1.175 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000891451162 582689863 /nfs/dbraw/zinc/68/98/63/582689863.db2.gz OINFVRMUENDZCF-LLVKDONJSA-N 1 2 221.304 1.175 20 0 BDADLO CCn1cc(C[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000891543436 582695794 /nfs/dbraw/zinc/69/57/94/582695794.db2.gz QWLOIEWFLGHVFA-JTQLQIEISA-N 1 2 223.320 1.432 20 0 BDADLO CCn1cc(C[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000891543436 582695795 /nfs/dbraw/zinc/69/57/95/582695795.db2.gz QWLOIEWFLGHVFA-JTQLQIEISA-N 1 2 223.320 1.432 20 0 BDADLO C[C@@H]1CC(NC(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000493743828 534148794 /nfs/dbraw/zinc/14/87/94/534148794.db2.gz XDEUZPGQPPHJEE-SSJKROIJSA-N 1 2 249.314 1.495 20 0 BDADLO C[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493229738 534156593 /nfs/dbraw/zinc/15/65/93/534156593.db2.gz UMEDMEXBBRAQOX-WWQCOOJYSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493293861 534167654 /nfs/dbraw/zinc/16/76/54/534167654.db2.gz MCMXKOLKIVSCNQ-OMMCCPJFSA-N 1 2 219.288 1.824 20 0 BDADLO C[C@]1(O)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493549854 534183998 /nfs/dbraw/zinc/18/39/98/534183998.db2.gz LZRKIYCQBARCRM-OOPCZODUSA-N 1 2 249.314 1.186 20 0 BDADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493465319 534237245 /nfs/dbraw/zinc/23/72/45/534237245.db2.gz XCRNZCGBMZCWED-WQMVXFAESA-N 1 2 249.314 1.042 20 0 BDADLO Cn1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000492970290 534765479 /nfs/dbraw/zinc/76/54/79/534765479.db2.gz CSPHRXYHKAHRSQ-IHWYPQMZSA-N 1 2 230.271 1.078 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1(C(F)F)CC1 ZINC000493197430 534786196 /nfs/dbraw/zinc/78/61/96/534786196.db2.gz YKQKBHNMYMMQHE-OWOJBTEDSA-N 1 2 227.214 1.337 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCC2(CC2)C1 ZINC000492813218 534801063 /nfs/dbraw/zinc/80/10/63/534801063.db2.gz OWWYAJOVMGGLQH-IHWYPQMZSA-N 1 2 231.299 1.826 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCSC1 ZINC000492776210 534802944 /nfs/dbraw/zinc/80/29/44/534802944.db2.gz YZGJDSKCBBIAEJ-JKERVTFKSA-N 1 2 223.301 1.045 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC12CC2 ZINC000493494528 534803339 /nfs/dbraw/zinc/80/33/39/534803339.db2.gz UYYPSPFEPACUMS-JKERVTFKSA-N 1 2 203.245 1.092 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(F)nc1 ZINC000492862364 534804286 /nfs/dbraw/zinc/80/42/86/534804286.db2.gz KMRZATPHQNYQPN-RQOWECAXSA-N 1 2 232.218 1.596 20 0 BDADLO Cc1ccccc1C[NH+]1CC2(C1)CN(C)C(=O)O2 ZINC000496462743 534812709 /nfs/dbraw/zinc/81/27/09/534812709.db2.gz ZBTUOOKKGYHTPW-UHFFFAOYSA-N 1 2 246.310 1.631 20 0 BDADLO CCOCCN(CC)c1cc(N(C)C)nc[nH+]1 ZINC000892409226 582881302 /nfs/dbraw/zinc/88/13/02/582881302.db2.gz YTNWSCMKLSMHLC-UHFFFAOYSA-N 1 2 238.335 1.405 20 0 BDADLO Cc1csc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000492812425 534822864 /nfs/dbraw/zinc/82/28/64/534822864.db2.gz MOEQHWHUTFSMMG-ONEGZZNKSA-N 1 2 248.311 1.851 20 0 BDADLO CC(C)(C)OCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493186427 526552775 /nfs/dbraw/zinc/55/27/75/526552775.db2.gz JECAIVIDIISIFC-SNAWJCMRSA-N 1 2 237.303 1.354 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@H](C)O)[nH+]1 ZINC000892541032 582909170 /nfs/dbraw/zinc/90/91/70/582909170.db2.gz WOOPWHXOZNGLIO-DTWKUNHWSA-N 1 2 210.277 1.318 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493528142 527562921 /nfs/dbraw/zinc/56/29/21/527562921.db2.gz SQZYAVKQBLEOBK-SNAWJCMRSA-N 1 2 235.287 1.154 20 0 BDADLO C/C=C/C=C\C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000493797319 527601058 /nfs/dbraw/zinc/60/10/58/527601058.db2.gz XNGSQYIPVPCCMV-NVPNQYESSA-N 1 2 210.302 1.726 20 0 BDADLO C/C=C/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492688401 527609104 /nfs/dbraw/zinc/60/91/04/527609104.db2.gz JRHSWEGBDZDMHG-SWVIMVIYSA-N 1 2 231.299 1.446 20 0 BDADLO CCC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493188332 527766536 /nfs/dbraw/zinc/76/65/36/527766536.db2.gz LTLYFTVPNRJZCD-SGUJLRQBSA-N 1 2 249.314 1.450 20 0 BDADLO CC1(C)[C@@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC000492897928 527842514 /nfs/dbraw/zinc/84/25/14/527842514.db2.gz KJCAYKBKJSNFNH-XCPMARJRSA-N 1 2 231.299 1.537 20 0 BDADLO CCO[C@@H]1C[C@@H]1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493015921 527865117 /nfs/dbraw/zinc/86/51/17/527865117.db2.gz KVUPMARQQZVRCR-TUISVCKWSA-N 1 2 249.314 1.210 20 0 BDADLO CCCN(CC(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492872261 527930207 /nfs/dbraw/zinc/93/02/07/527930207.db2.gz YSROQPOMRWNOCN-ARJAWSKDSA-N 1 2 243.257 1.927 20 0 BDADLO CCCN(CC(N)=O)c1cc(C)[nH+]c(CC)n1 ZINC000488788446 527946750 /nfs/dbraw/zinc/94/67/50/527946750.db2.gz YKTULCTVEZPNGO-UHFFFAOYSA-N 1 2 236.319 1.049 20 0 BDADLO CC(C)c1c[nH]nc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493062307 528006774 /nfs/dbraw/zinc/00/67/74/528006774.db2.gz KCQKJOYRJDOYSS-ARJAWSKDSA-N 1 2 245.286 1.908 20 0 BDADLO CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000492871743 528018289 /nfs/dbraw/zinc/01/82/89/528018289.db2.gz XYHOXHXUSPVKQZ-PLNGDYQASA-N 1 2 219.288 1.872 20 0 BDADLO CC(C)O[C@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493657187 528076850 /nfs/dbraw/zinc/07/68/50/528076850.db2.gz KGAYHVJWMHDZDW-VMDCKITASA-N 1 2 249.314 1.495 20 0 BDADLO CCCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493166574 528316225 /nfs/dbraw/zinc/31/62/25/528316225.db2.gz ZAMSSZROYQJYTH-AATRIKPKSA-N 1 2 207.277 1.681 20 0 BDADLO CCO/C=C/C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000492834554 528459141 /nfs/dbraw/zinc/45/91/41/528459141.db2.gz HOWBCEUUIFIGSX-BJMVGYQFSA-N 1 2 249.314 1.597 20 0 BDADLO CCO/C=C/C(=O)NCc1c[nH+]c(C)cc1C ZINC000493498934 528486514 /nfs/dbraw/zinc/48/65/14/528486514.db2.gz QWBMITROJJQCDS-AATRIKPKSA-N 1 2 234.299 1.865 20 0 BDADLO CCO/C=C\C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000493268575 528516211 /nfs/dbraw/zinc/51/62/11/528516211.db2.gz VODXIVCTQQRKFX-YOOZJCNJSA-N 1 2 249.314 1.286 20 0 BDADLO CCCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487927381 528522584 /nfs/dbraw/zinc/52/25/84/528522584.db2.gz FNKUHDPCERXNFN-JTQLQIEISA-N 1 2 236.319 1.297 20 0 BDADLO CCO/C=C\C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000492839837 528529245 /nfs/dbraw/zinc/52/92/45/528529245.db2.gz NSQJOVKROQXWEP-YWEYNIOJSA-N 1 2 245.282 1.501 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493492858 528721706 /nfs/dbraw/zinc/72/17/06/528721706.db2.gz ZAVJEWRVGIKEQE-OMMCCPJFSA-N 1 2 237.303 1.306 20 0 BDADLO CCCc1nc(C[N@H+]2C[C@H](O)C[C@H](C)C2)no1 ZINC000401516395 528749948 /nfs/dbraw/zinc/74/99/48/528749948.db2.gz ZICLXDLIVIGYHN-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)no1 ZINC000401516395 528749955 /nfs/dbraw/zinc/74/99/55/528749955.db2.gz ZICLXDLIVIGYHN-VHSXEESVSA-N 1 2 239.319 1.225 20 0 BDADLO CCCc1nc(C[NH2+][C@@]2(C)CCO[C@H]2C)no1 ZINC000494247671 528750348 /nfs/dbraw/zinc/75/03/48/528750348.db2.gz LTFWJFFPVMLNHU-CABZTGNLSA-N 1 2 239.319 1.679 20 0 BDADLO CCOC[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492902929 528929152 /nfs/dbraw/zinc/92/91/52/528929152.db2.gz SEVRNZKVGLEECI-DLRQAJBASA-N 1 2 249.314 1.308 20 0 BDADLO CCSCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493160897 529172856 /nfs/dbraw/zinc/17/28/56/529172856.db2.gz SLRWXWCTECJESF-SNAWJCMRSA-N 1 2 239.344 1.682 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccncc1 ZINC000494971258 529195172 /nfs/dbraw/zinc/19/51/72/529195172.db2.gz HJBLODJGTXSRAH-OOPCZODUSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccncc1 ZINC000494971258 529195173 /nfs/dbraw/zinc/19/51/73/529195173.db2.gz HJBLODJGTXSRAH-OOPCZODUSA-N 1 2 245.326 1.305 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cccnc1 ZINC000495192819 529264105 /nfs/dbraw/zinc/26/41/05/529264105.db2.gz JBVKIATXWIQKCS-CYBMUJFWSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccnc1 ZINC000495192819 529264106 /nfs/dbraw/zinc/26/41/06/529264106.db2.gz JBVKIATXWIQKCS-CYBMUJFWSA-N 1 2 247.342 1.524 20 0 BDADLO CC[C@@H]1CCC[N@@H+]1Cc1ncnn1CC(F)F ZINC000487899863 529302083 /nfs/dbraw/zinc/30/20/83/529302083.db2.gz UBMABCHZCLQHKR-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CC[C@@H]1CCC[N@H+]1Cc1ncnn1CC(F)F ZINC000487899863 529302084 /nfs/dbraw/zinc/30/20/84/529302084.db2.gz UBMABCHZCLQHKR-SECBINFHSA-N 1 2 244.289 1.918 20 0 BDADLO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccon2)C1=O ZINC000349246578 535239811 /nfs/dbraw/zinc/23/98/11/535239811.db2.gz TUCJVNMEQFDGLN-MWLCHTKSSA-N 1 2 237.303 1.335 20 0 BDADLO CCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174477041 535337213 /nfs/dbraw/zinc/33/72/13/535337213.db2.gz RPRHSGLFSXVKTP-GFCCVEGCSA-N 1 2 240.347 1.110 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1[nH+]cc(C)n1C ZINC000342772006 535387694 /nfs/dbraw/zinc/38/76/94/535387694.db2.gz AUIUJUDKFSDRIK-UHFFFAOYSA-N 1 2 247.346 1.484 20 0 BDADLO CCOC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000301229008 535399216 /nfs/dbraw/zinc/39/92/16/535399216.db2.gz GOCUPRDYCSZVCR-UHFFFAOYSA-N 1 2 221.304 1.790 20 0 BDADLO CC[NH+](CC)Cc1noc(CCOC)n1 ZINC000351338521 535613694 /nfs/dbraw/zinc/61/36/94/535613694.db2.gz LDCYXSKFZPJIEV-UHFFFAOYSA-N 1 2 213.281 1.100 20 0 BDADLO CCCn1ncnc1C[N@H+](C)C1CC(OC)C1 ZINC000352204154 535643546 /nfs/dbraw/zinc/64/35/46/535643546.db2.gz WMUNLPJMGUSTLZ-UHFFFAOYSA-N 1 2 238.335 1.297 20 0 BDADLO CCCn1ncnc1C[N@@H+](C)C1CC(OC)C1 ZINC000352204154 535643550 /nfs/dbraw/zinc/64/35/50/535643550.db2.gz WMUNLPJMGUSTLZ-UHFFFAOYSA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1conc1C ZINC000335643788 535836254 /nfs/dbraw/zinc/83/62/54/535836254.db2.gz CNAZJYNMWVSCDB-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1conc1C ZINC000335643788 535836257 /nfs/dbraw/zinc/83/62/57/535836257.db2.gz CNAZJYNMWVSCDB-LLVKDONJSA-N 1 2 210.277 1.594 20 0 BDADLO CCn1nccc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000334374080 535871415 /nfs/dbraw/zinc/87/14/15/535871415.db2.gz TZFRNJYZQQAXIJ-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO CCn1nccc1C[N@H+]1CC[C@](C)(F)C1 ZINC000334374080 535871419 /nfs/dbraw/zinc/87/14/19/535871419.db2.gz TZFRNJYZQQAXIJ-NSHDSACASA-N 1 2 211.284 1.837 20 0 BDADLO CC[C@@]1(C)CN(c2cc(C)[nH+]cn2)CCO1 ZINC000302672746 536059480 /nfs/dbraw/zinc/05/94/80/536059480.db2.gz OPFJVVUOVDCVME-LBPRGKRZSA-N 1 2 221.304 1.790 20 0 BDADLO CCc1nnc(C[N@@H+]2CCn3cccc3[C@@H]2C)[nH]1 ZINC000184568234 536139210 /nfs/dbraw/zinc/13/92/10/536139210.db2.gz SUVXZHQTNLPTMY-JTQLQIEISA-N 1 2 245.330 1.745 20 0 BDADLO CCc1nnc(C[N@H+]2CCn3cccc3[C@@H]2C)[nH]1 ZINC000184568234 536139213 /nfs/dbraw/zinc/13/92/13/536139213.db2.gz SUVXZHQTNLPTMY-JTQLQIEISA-N 1 2 245.330 1.745 20 0 BDADLO CC[C@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178831106 536142569 /nfs/dbraw/zinc/14/25/69/536142569.db2.gz IHJRFOVNHRKMGF-WDEREUQCSA-N 1 2 235.331 1.702 20 0 BDADLO CCc1cc(N2CCO[C@H](C)[C@@H]2C)nc(C)[nH+]1 ZINC000272917034 536148043 /nfs/dbraw/zinc/14/80/43/536148043.db2.gz SNKILJYTEKANOQ-VHSXEESVSA-N 1 2 235.331 1.961 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1cscn1 ZINC000352169976 566473940 /nfs/dbraw/zinc/47/39/40/566473940.db2.gz JMQLSYNLAZQMRS-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1cscn1 ZINC000352169976 566473949 /nfs/dbraw/zinc/47/39/49/566473949.db2.gz JMQLSYNLAZQMRS-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO C[C@H](O)C[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893126128 583053415 /nfs/dbraw/zinc/05/34/15/583053415.db2.gz ICCQKECDZJBPME-GUBZILKMSA-N 1 2 224.304 1.706 20 0 BDADLO CC(C)c1c[nH]c(CN2CCO[C@H](C)C2)[nH+]1 ZINC000893916024 583246307 /nfs/dbraw/zinc/24/63/07/583246307.db2.gz CKDFJBIESDRLPF-SNVBAGLBSA-N 1 2 223.320 1.754 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NOC2CCCC2)c1 ZINC000894016550 583276167 /nfs/dbraw/zinc/27/61/67/583276167.db2.gz AEDFZYAYMMBHDW-UHFFFAOYSA-N 1 2 238.291 1.094 20 0 BDADLO C[C@@H](O)c1cccc(NCCC(C)(C)CO)[nH+]1 ZINC000894029457 583281561 /nfs/dbraw/zinc/28/15/61/583281561.db2.gz DRLSMNMMZJZVDB-SNVBAGLBSA-N 1 2 238.331 1.955 20 0 BDADLO CN(C)c1cc(N2C[C@@H](F)[C@@H](F)C2)nc[nH+]1 ZINC000894047646 583287681 /nfs/dbraw/zinc/28/76/81/583287681.db2.gz QBBCIMCGZMEJGW-OCAPTIKFSA-N 1 2 228.246 1.039 20 0 BDADLO CN(C)c1cc(N2C[C@@H](F)[C@@H](F)C2)[nH+]cn1 ZINC000894047646 583287685 /nfs/dbraw/zinc/28/76/85/583287685.db2.gz QBBCIMCGZMEJGW-OCAPTIKFSA-N 1 2 228.246 1.039 20 0 BDADLO Fc1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000853267111 588729998 /nfs/dbraw/zinc/72/99/98/588729998.db2.gz FZCGPINODQFHGA-SNVBAGLBSA-N 1 2 247.277 1.654 20 0 BDADLO CCC[C@@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853501010 588746238 /nfs/dbraw/zinc/74/62/38/588746238.db2.gz BYHYDTMXKUPSNL-LLVKDONJSA-N 1 2 239.319 1.614 20 0 BDADLO CCC[C@@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853501010 588746239 /nfs/dbraw/zinc/74/62/39/588746239.db2.gz BYHYDTMXKUPSNL-LLVKDONJSA-N 1 2 239.319 1.614 20 0 BDADLO Cc1nn(C[N@@H+]2CCCC(C)(C)C2)c(=O)o1 ZINC000853496808 588746454 /nfs/dbraw/zinc/74/64/54/588746454.db2.gz XKBDPVDJPOVAQI-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO Cc1nn(C[N@H+]2CCCC(C)(C)C2)c(=O)o1 ZINC000853496808 588746455 /nfs/dbraw/zinc/74/64/55/588746455.db2.gz XKBDPVDJPOVAQI-UHFFFAOYSA-N 1 2 225.292 1.224 20 0 BDADLO COC[C@@H]1CC[N@@H+]1CN1CC[C@@H](C(C)C)C1=O ZINC000853513306 588746900 /nfs/dbraw/zinc/74/69/00/588746900.db2.gz CCDGVPCHGZGOGW-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO COC[C@@H]1CC[N@H+]1CN1CC[C@@H](C(C)C)C1=O ZINC000853513306 588746901 /nfs/dbraw/zinc/74/69/01/588746901.db2.gz CCDGVPCHGZGOGW-RYUDHWBXSA-N 1 2 240.347 1.169 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+]1CCC2(COC2)C1 ZINC000853597531 588750177 /nfs/dbraw/zinc/75/01/77/588750177.db2.gz JZGIGXIRVHXMSN-UHFFFAOYSA-N 1 2 241.722 1.525 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+]1CCC2(COC2)C1 ZINC000853597531 588750178 /nfs/dbraw/zinc/75/01/78/588750178.db2.gz JZGIGXIRVHXMSN-UHFFFAOYSA-N 1 2 241.722 1.525 20 0 BDADLO Cc1nn(C[N@H+](C)C[C@@H]2CC2(C)C)c(=O)o1 ZINC000853628342 588751129 /nfs/dbraw/zinc/75/11/29/588751129.db2.gz SJLJRGBOUZPJCY-VIFPVBQESA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c(=O)o1 ZINC000853628342 588751130 /nfs/dbraw/zinc/75/11/30/588751130.db2.gz SJLJRGBOUZPJCY-VIFPVBQESA-N 1 2 225.292 1.080 20 0 BDADLO Nc1[nH+]cccc1CNc1ncnc2c1CCC2 ZINC000853658999 588752975 /nfs/dbraw/zinc/75/29/75/588752975.db2.gz XBNVJMQMLJIJEW-UHFFFAOYSA-N 1 2 241.298 1.555 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCC=C(C)C ZINC000853674108 588754603 /nfs/dbraw/zinc/75/46/03/588754603.db2.gz RTCUSDNMAKZDII-SECBINFHSA-N 1 2 200.282 1.876 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1oc(C)nc1C ZINC000853674225 588754999 /nfs/dbraw/zinc/75/49/99/588754999.db2.gz URTXLOOFCNUEAE-SSDOTTSWSA-N 1 2 227.264 1.325 20 0 BDADLO Cc1nocc1CO[NH+]=C(N)Cc1cccnc1 ZINC000853678473 588755160 /nfs/dbraw/zinc/75/51/60/588755160.db2.gz JEAFISHWMCCITQ-UHFFFAOYSA-N 1 2 246.270 1.619 20 0 BDADLO CC(C)[C@H](C)ON=C(N)C[NH+]1CCSCC1 ZINC000853688174 588756685 /nfs/dbraw/zinc/75/66/85/588756685.db2.gz HUCLUGASGPQEOI-JTQLQIEISA-N 1 2 245.392 1.578 20 0 BDADLO Cc1nc(C)c(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000853697477 588757470 /nfs/dbraw/zinc/75/74/70/588757470.db2.gz INYGHWGFTALXLQ-SECBINFHSA-N 1 2 239.275 1.469 20 0 BDADLO CO[C@H](CO[NH+]=C(N)[C@H]1CCCO1)C1CCC1 ZINC000853699099 588757588 /nfs/dbraw/zinc/75/75/88/588757588.db2.gz WWCFZABXTWWYOF-GHMZBOCLSA-N 1 2 242.319 1.479 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2C=CCC2)nc[nH+]1 ZINC000853800773 588764122 /nfs/dbraw/zinc/76/41/22/588764122.db2.gz YXWKCXJUVIZBBL-NXEZZACHSA-N 1 2 234.303 1.400 20 0 BDADLO C[C@@H](O)CNc1cc(N[C@@H]2C=CCC2)[nH+]cn1 ZINC000853800773 588764123 /nfs/dbraw/zinc/76/41/23/588764123.db2.gz YXWKCXJUVIZBBL-NXEZZACHSA-N 1 2 234.303 1.400 20 0 BDADLO CC(C)c1nc(N2CC[C@@]3(O)C[C@H]3C2)cc[nH+]1 ZINC000853859906 588766267 /nfs/dbraw/zinc/76/62/67/588766267.db2.gz XMDRGRCTRTUPHP-GXFFZTMASA-N 1 2 233.315 1.561 20 0 BDADLO C[C@H](NC(=O)C(C)(F)F)c1[nH+]ccn1C ZINC000853867720 588766788 /nfs/dbraw/zinc/76/67/88/588766788.db2.gz PGJBEVJCMNISRT-LURJTMIESA-N 1 2 217.219 1.253 20 0 BDADLO Cc1cc[nH+]cc1Cc1noc(C(C)(C)O)n1 ZINC000854101322 588774776 /nfs/dbraw/zinc/77/47/76/588774776.db2.gz RWJBXLCBONTMSJ-UHFFFAOYSA-N 1 2 233.271 1.591 20 0 BDADLO CSC(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000854274899 588782464 /nfs/dbraw/zinc/78/24/64/588782464.db2.gz AKEDLRDETKTKCO-UHFFFAOYSA-N 1 2 241.360 1.520 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854455037 588787344 /nfs/dbraw/zinc/78/73/44/588787344.db2.gz DHFWXDBLHCCVSF-SKDRFNHKSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854455037 588787345 /nfs/dbraw/zinc/78/73/45/588787345.db2.gz DHFWXDBLHCCVSF-SKDRFNHKSA-N 1 2 247.342 1.819 20 0 BDADLO CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000112345125 588794771 /nfs/dbraw/zinc/79/47/71/588794771.db2.gz YICXPPSOSVOELV-SNVBAGLBSA-N 1 2 209.293 1.434 20 0 BDADLO Cc1ncoc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000854586934 588796051 /nfs/dbraw/zinc/79/60/51/588796051.db2.gz XMIABOJQKVWZMK-VIFPVBQESA-N 1 2 248.286 1.447 20 0 BDADLO C[C@@H](NC(=O)c1ccc(C=O)n1C)c1[nH]cc[nH+]1 ZINC000854595440 588796178 /nfs/dbraw/zinc/79/61/78/588796178.db2.gz ZMBMPEMJDZVNEZ-MRVPVSSYSA-N 1 2 246.270 1.052 20 0 BDADLO CC(C)[C@H]1N(C(=O)Cc2[nH]cc[nH+]2)CC12CCC2 ZINC000854594826 588796207 /nfs/dbraw/zinc/79/62/07/588796207.db2.gz BKCSSSKJLSMZHX-CYBMUJFWSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCC=CO1)c1[nH]cc[nH+]1 ZINC000854595458 588796305 /nfs/dbraw/zinc/79/63/05/588796305.db2.gz ZROPJAYGAFLSKL-BDAKNGLRSA-N 1 2 221.260 1.280 20 0 BDADLO CCC[C@H](O)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594271 588796355 /nfs/dbraw/zinc/79/63/55/588796355.db2.gz ICWXPXXBSHOXLD-BDAKNGLRSA-N 1 2 225.292 1.138 20 0 BDADLO COC1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000854678639 588801001 /nfs/dbraw/zinc/80/10/01/588801001.db2.gz ZDVIQEIMHFBXTF-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCCF)N[C@H]1CCn2cc[nH+]c21 ZINC000854685399 588801148 /nfs/dbraw/zinc/80/11/48/588801148.db2.gz KDKISAUIQQNRRG-QMMMGPOBSA-N 1 2 211.240 1.194 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854685246 588801290 /nfs/dbraw/zinc/80/12/90/588801290.db2.gz JTSMAWWMEQBIJJ-WISYIIOYSA-N 1 2 245.326 1.880 20 0 BDADLO CC[N@H+](C/C=C/Cl)[C@H](C)CS(C)(=O)=O ZINC000112732180 588814889 /nfs/dbraw/zinc/81/48/89/588814889.db2.gz IDLFSLFQTVYNHH-VUHVRTRXSA-N 1 2 239.768 1.494 20 0 BDADLO CC[N@@H+](C/C=C/Cl)[C@H](C)CS(C)(=O)=O ZINC000112732180 588814890 /nfs/dbraw/zinc/81/48/90/588814890.db2.gz IDLFSLFQTVYNHH-VUHVRTRXSA-N 1 2 239.768 1.494 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(CC2(F)F)C1 ZINC000855033060 588821492 /nfs/dbraw/zinc/82/14/92/588821492.db2.gz HMVVHUPYAZNYLR-JTQLQIEISA-N 1 2 241.241 1.210 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C=C1CCCC1 ZINC000855134745 588822644 /nfs/dbraw/zinc/82/26/44/588822644.db2.gz YVPATHMZRRMWFF-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C=C1CCCC1 ZINC000855134745 588822645 /nfs/dbraw/zinc/82/26/45/588822645.db2.gz YVPATHMZRRMWFF-UHFFFAOYSA-N 1 2 219.288 1.869 20 0 BDADLO CSC(C)(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134862 588822671 /nfs/dbraw/zinc/82/26/71/588822671.db2.gz BDKAXDPNWIFMNM-UHFFFAOYSA-N 1 2 227.333 1.510 20 0 BDADLO CSC(C)(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134862 588822672 /nfs/dbraw/zinc/82/26/72/588822672.db2.gz BDKAXDPNWIFMNM-UHFFFAOYSA-N 1 2 227.333 1.510 20 0 BDADLO Cc1cc(C)nc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000855136792 588823131 /nfs/dbraw/zinc/82/31/31/588823131.db2.gz TYCFCSRGLFFHIZ-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO Cc1cc(C)nc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000855136792 588823132 /nfs/dbraw/zinc/82/31/32/588823132.db2.gz TYCFCSRGLFFHIZ-UHFFFAOYSA-N 1 2 244.298 1.694 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CC(C)(C)C1 ZINC000855136132 588823228 /nfs/dbraw/zinc/82/32/28/588823228.db2.gz LVTZNUYOJGBEEW-UHFFFAOYSA-N 1 2 221.304 1.804 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CC(C)(C)C1 ZINC000855136132 588823229 /nfs/dbraw/zinc/82/32/29/588823229.db2.gz LVTZNUYOJGBEEW-UHFFFAOYSA-N 1 2 221.304 1.804 20 0 BDADLO CCC/C=C/C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855135426 588823403 /nfs/dbraw/zinc/82/34/03/588823403.db2.gz KSOGVTZCFXNRJZ-AATRIKPKSA-N 1 2 207.277 1.724 20 0 BDADLO CCC/C=C/C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855135426 588823404 /nfs/dbraw/zinc/82/34/04/588823404.db2.gz KSOGVTZCFXNRJZ-AATRIKPKSA-N 1 2 207.277 1.724 20 0 BDADLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccn1 ZINC000855181556 588825680 /nfs/dbraw/zinc/82/56/80/588825680.db2.gz YKUYUUCSARIFRL-SNVBAGLBSA-N 1 2 244.298 1.267 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC(Cc2ccoc2)C1 ZINC000890574043 582481999 /nfs/dbraw/zinc/48/19/99/582481999.db2.gz IHMBGIDNODNQHW-UHFFFAOYSA-N 1 2 245.282 1.246 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000890767273 582543281 /nfs/dbraw/zinc/54/32/81/582543281.db2.gz ONXKYFQBYHGVEX-DGCLKSJQSA-N 1 2 247.342 1.824 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C=CCC1 ZINC000855434486 588836259 /nfs/dbraw/zinc/83/62/59/588836259.db2.gz LMRRHMUHHKYAJO-HBNTYKKESA-N 1 2 231.299 1.358 20 0 BDADLO O=C(NC1CC=CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153729715 582579410 /nfs/dbraw/zinc/57/94/10/582579410.db2.gz DFIBFICNHCPBIK-JTQLQIEISA-N 1 2 231.299 1.280 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC/C=C\Cl ZINC000891207232 582631952 /nfs/dbraw/zinc/63/19/52/582631952.db2.gz CASJOXUTIBTUIS-IWQZZHSRSA-N 1 2 213.668 1.142 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000891488786 582691881 /nfs/dbraw/zinc/69/18/81/582691881.db2.gz AWEINNHOPRBHBJ-JTQLQIEISA-N 1 2 238.287 1.128 20 0 BDADLO COc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)o1 ZINC000891488786 582691883 /nfs/dbraw/zinc/69/18/83/582691883.db2.gz AWEINNHOPRBHBJ-JTQLQIEISA-N 1 2 238.287 1.128 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C3CCC3)c2)CCO1 ZINC000891542211 582695497 /nfs/dbraw/zinc/69/54/97/582695497.db2.gz LFQBDMSOLFCJDC-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C3CCC3)c2)CCO1 ZINC000891542211 582695498 /nfs/dbraw/zinc/69/54/98/582695498.db2.gz LFQBDMSOLFCJDC-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO C[C@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891543590 582695584 /nfs/dbraw/zinc/69/55/84/582695584.db2.gz SXSNSBFNOAZZBZ-JTQLQIEISA-N 1 2 235.331 1.130 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c3c(nn2C)CCC3)CCO1 ZINC000891543590 582695586 /nfs/dbraw/zinc/69/55/86/582695586.db2.gz SXSNSBFNOAZZBZ-JTQLQIEISA-N 1 2 235.331 1.130 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnn2C2CCC2)CCO1 ZINC000891542670 582696006 /nfs/dbraw/zinc/69/60/06/582696006.db2.gz MYVLOFYGFCFTPH-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnn2C2CCC2)CCO1 ZINC000891542670 582696008 /nfs/dbraw/zinc/69/60/08/582696008.db2.gz MYVLOFYGFCFTPH-NSHDSACASA-N 1 2 235.331 1.829 20 0 BDADLO C[C@H]1C[N@H+](Cc2cn3ccnc3s2)CCO1 ZINC000891542754 582696010 /nfs/dbraw/zinc/69/60/10/582696010.db2.gz KEEURTYNBGIXSS-VIFPVBQESA-N 1 2 237.328 1.617 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cn3ccnc3s2)CCO1 ZINC000891542754 582696012 /nfs/dbraw/zinc/69/60/12/582696012.db2.gz KEEURTYNBGIXSS-VIFPVBQESA-N 1 2 237.328 1.617 20 0 BDADLO CC(C)Cc1ccc(C[N@H+](C)CC(N)=O)cn1 ZINC000891581029 582699831 /nfs/dbraw/zinc/69/98/31/582699831.db2.gz FYWVDNUJOBNWHK-UHFFFAOYSA-N 1 2 235.331 1.197 20 0 BDADLO CC(C)Cc1ccc(C[N@@H+](C)CC(N)=O)cn1 ZINC000891581029 582699832 /nfs/dbraw/zinc/69/98/32/582699832.db2.gz FYWVDNUJOBNWHK-UHFFFAOYSA-N 1 2 235.331 1.197 20 0 BDADLO Cc1cc(N[C@@H](C)C(N)=O)nc(C2CCC2)[nH+]1 ZINC000891615142 582701729 /nfs/dbraw/zinc/70/17/29/582701729.db2.gz QUIIOLODOXMSFC-QMMMGPOBSA-N 1 2 234.303 1.338 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000891637251 582704157 /nfs/dbraw/zinc/70/41/57/582704157.db2.gz ANKHQFGOOHLDLB-UHFFFAOYSA-N 1 2 227.235 1.136 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000891637251 582704159 /nfs/dbraw/zinc/70/41/59/582704159.db2.gz ANKHQFGOOHLDLB-UHFFFAOYSA-N 1 2 227.235 1.136 20 0 BDADLO CN(C)c1cc(NCC[C@H]2CCCO2)[nH+]cn1 ZINC000891677076 582709336 /nfs/dbraw/zinc/70/93/36/582709336.db2.gz HSZSBAAAWSWJFC-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CN(C)c1cc(NCC[C@H]2CCCO2)nc[nH+]1 ZINC000891677076 582709337 /nfs/dbraw/zinc/70/93/37/582709337.db2.gz HSZSBAAAWSWJFC-SNVBAGLBSA-N 1 2 236.319 1.524 20 0 BDADLO CC1(C)CN(Cc2[nH+]ccn2C2CC2)CCO1 ZINC000891705849 582711559 /nfs/dbraw/zinc/71/15/59/582711559.db2.gz JFHJIEIPTKJPLH-UHFFFAOYSA-N 1 2 235.331 1.829 20 0 BDADLO Cc1occc1CNc1nc(N)[nH+]c(C2CC2)n1 ZINC000891965835 582749030 /nfs/dbraw/zinc/74/90/30/582749030.db2.gz UWFOODGKPWGEKE-UHFFFAOYSA-N 1 2 245.286 1.845 20 0 BDADLO Cc1occc1CNc1nc(N)nc(C2CC2)[nH+]1 ZINC000891965835 582749034 /nfs/dbraw/zinc/74/90/34/582749034.db2.gz UWFOODGKPWGEKE-UHFFFAOYSA-N 1 2 245.286 1.845 20 0 BDADLO Cc1cc(F)ncc1C[N@H+](C)Cc1cc[nH]n1 ZINC000892011745 582761813 /nfs/dbraw/zinc/76/18/13/582761813.db2.gz FBQIRLYTAWIDML-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1cc(F)ncc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000892011745 582761815 /nfs/dbraw/zinc/76/18/15/582761815.db2.gz FBQIRLYTAWIDML-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCC(C)(C)C)c1 ZINC000892049608 582774998 /nfs/dbraw/zinc/77/49/98/582774998.db2.gz JRUSCMDFNJGKKK-UHFFFAOYSA-N 1 2 238.335 1.656 20 0 BDADLO CC(C)CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000892086491 582787923 /nfs/dbraw/zinc/78/79/23/582787923.db2.gz PWVQRWKRPDGNIX-UHFFFAOYSA-N 1 2 208.309 1.635 20 0 BDADLO CC(C)CN(C)c1cc(N(C)C)nc[nH+]1 ZINC000892086491 582787927 /nfs/dbraw/zinc/78/79/27/582787927.db2.gz PWVQRWKRPDGNIX-UHFFFAOYSA-N 1 2 208.309 1.635 20 0 BDADLO c1cn(C2CC2)c(CN2CCOC[C@@H]2C2CC2)[nH+]1 ZINC000892110925 582793400 /nfs/dbraw/zinc/79/34/00/582793400.db2.gz SRROTWVDNLDPQP-CYBMUJFWSA-N 1 2 247.342 1.829 20 0 BDADLO O[C@H]1CCN(c2ccc(-c3ccncc3)c[nH+]2)C1 ZINC000892325116 582845389 /nfs/dbraw/zinc/84/53/89/582845389.db2.gz FXXWAERAFCQZQJ-ZDUSSCGKSA-N 1 2 241.294 1.715 20 0 BDADLO CCOCCN(CC)c1cc(N(C)C)[nH+]cn1 ZINC000892409226 582881300 /nfs/dbraw/zinc/88/13/00/582881300.db2.gz YTNWSCMKLSMHLC-UHFFFAOYSA-N 1 2 238.335 1.405 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC000295070012 582904769 /nfs/dbraw/zinc/90/47/69/582904769.db2.gz WFPFGKUVMFAHQY-SECBINFHSA-N 1 2 202.261 1.656 20 0 BDADLO C[C@@H]([NH2+]Cc1c[nH]nn1)c1ccccc1 ZINC000295070012 582904770 /nfs/dbraw/zinc/90/47/70/582904770.db2.gz WFPFGKUVMFAHQY-SECBINFHSA-N 1 2 202.261 1.656 20 0 BDADLO C[C@@H]([NH2+]Cc1cn[nH]n1)c1ccccc1 ZINC000295070012 582904773 /nfs/dbraw/zinc/90/47/73/582904773.db2.gz WFPFGKUVMFAHQY-SECBINFHSA-N 1 2 202.261 1.656 20 0 BDADLO CC(C)c1cnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782628895 582927720 /nfs/dbraw/zinc/92/77/20/582927720.db2.gz STQVWNWZLNXFLR-MFKMUULPSA-N 1 2 236.315 1.612 20 0 BDADLO CC(C)c1cnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000782628895 582927721 /nfs/dbraw/zinc/92/77/21/582927721.db2.gz STQVWNWZLNXFLR-MFKMUULPSA-N 1 2 236.315 1.612 20 0 BDADLO Cc1[nH]c(C(=O)NCC2SCCS2)c[nH+]1 ZINC000856164525 588863272 /nfs/dbraw/zinc/86/32/72/588863272.db2.gz APRZBGWTISRMFA-UHFFFAOYSA-N 1 2 243.357 1.254 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](C2CCC2)C1 ZINC000856171414 588863512 /nfs/dbraw/zinc/86/35/12/588863512.db2.gz MCPBRQMLJAEHNA-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO COc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000113976596 588863691 /nfs/dbraw/zinc/86/36/91/588863691.db2.gz BDNNOQBGSINWEG-UHFFFAOYSA-N 1 2 246.266 1.749 20 0 BDADLO C[C@H](NC(=O)C1(F)CCCC1)c1[nH+]ccn1C ZINC000856281133 588866796 /nfs/dbraw/zinc/86/67/96/588866796.db2.gz LZPWHNIGWMUQKA-VIFPVBQESA-N 1 2 239.294 1.880 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cnon2)C[C@H]1O ZINC000851906607 582978384 /nfs/dbraw/zinc/97/83/84/582978384.db2.gz CINPWBDEPUXINI-GHMZBOCLSA-N 1 2 239.319 1.299 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnon2)C[C@H]1O ZINC000851906607 582978386 /nfs/dbraw/zinc/97/83/86/582978386.db2.gz CINPWBDEPUXINI-GHMZBOCLSA-N 1 2 239.319 1.299 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cnon2)C[C@@H]1O ZINC000851906613 582978502 /nfs/dbraw/zinc/97/85/02/582978502.db2.gz CINPWBDEPUXINI-MNOVXSKESA-N 1 2 239.319 1.299 20 0 BDADLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1O ZINC000851906613 582978504 /nfs/dbraw/zinc/97/85/04/582978504.db2.gz CINPWBDEPUXINI-MNOVXSKESA-N 1 2 239.319 1.299 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2C=C[C@H](CO)C2)[nH+]1 ZINC000892785613 582981963 /nfs/dbraw/zinc/98/19/63/582981963.db2.gz HYOPWYGXIFDPDE-OUAUKWLOSA-N 1 2 234.299 1.484 20 0 BDADLO COc1ccc(C[NH2+]CCN(C)C(C)C)nc1 ZINC000892786240 582983176 /nfs/dbraw/zinc/98/31/76/582983176.db2.gz PWNOOXWOTFRSMG-UHFFFAOYSA-N 1 2 237.347 1.520 20 0 BDADLO C[C@@H](O)c1cccc(N[C@@H]2CCCN(C)C2=O)[nH+]1 ZINC000892801311 582986131 /nfs/dbraw/zinc/98/61/31/582986131.db2.gz ONGGVSUKMOGMKT-MWLCHTKSSA-N 1 2 249.314 1.168 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc[nH+]1 ZINC000892920645 583009337 /nfs/dbraw/zinc/00/93/37/583009337.db2.gz PHYMWPZORDNSTH-MXWKQRLJSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[nH+]cn1 ZINC000892920645 583009340 /nfs/dbraw/zinc/00/93/40/583009340.db2.gz PHYMWPZORDNSTH-MXWKQRLJSA-N 1 2 248.330 1.888 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)o1 ZINC000892976662 583023936 /nfs/dbraw/zinc/02/39/36/583023936.db2.gz HPUUDGIIUPHXJF-UHFFFAOYSA-N 1 2 208.217 1.566 20 0 BDADLO C[C@H](C[S@](C)=O)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893139437 583056270 /nfs/dbraw/zinc/05/62/70/583056270.db2.gz MTRMRFFFRLBPFI-GLSBUQGYSA-N 1 2 242.344 1.314 20 0 BDADLO Cc1nnc(CNc2ccc(N(C)C)c[nH+]2)s1 ZINC000893141471 583056353 /nfs/dbraw/zinc/05/63/53/583056353.db2.gz RSLUPXZSEJQTAP-UHFFFAOYSA-N 1 2 249.343 1.920 20 0 BDADLO OCC1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000893143361 583056392 /nfs/dbraw/zinc/05/63/92/583056392.db2.gz YMQXAACPKFZEJD-UHFFFAOYSA-N 1 2 245.326 1.660 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)C2)ccn1 ZINC000856741480 588875904 /nfs/dbraw/zinc/87/59/04/588875904.db2.gz PBBSJIIIGCPKJF-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)C2)ccn1 ZINC000856741480 588875905 /nfs/dbraw/zinc/87/59/05/588875905.db2.gz PBBSJIIIGCPKJF-LLVKDONJSA-N 1 2 242.269 1.856 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(N(C)C)nc[nH+]1 ZINC000893240507 583076556 /nfs/dbraw/zinc/07/65/56/583076556.db2.gz XUSCUEYHJBHZRO-YEZKRMTDSA-N 1 2 236.319 1.282 20 0 BDADLO C/C=C/C[C@@H](CO)Nc1cc(N(C)C)[nH+]cn1 ZINC000893240507 583076557 /nfs/dbraw/zinc/07/65/57/583076557.db2.gz XUSCUEYHJBHZRO-YEZKRMTDSA-N 1 2 236.319 1.282 20 0 BDADLO CCc1cc(N2CC[C@@H](O)[C@@H](C)C2)nc(CC)[nH+]1 ZINC000893268640 583081279 /nfs/dbraw/zinc/08/12/79/583081279.db2.gz HGRUIPLXINGKIB-CMPLNLGQSA-N 1 2 249.358 1.809 20 0 BDADLO CC[C@@]1(O)CCN(c2nccn3c[nH+]cc23)C1 ZINC000893280585 583083330 /nfs/dbraw/zinc/08/33/30/583083330.db2.gz YTCDTHVFRKLLIU-GFCCVEGCSA-N 1 2 232.287 1.081 20 0 BDADLO CNc1cc(N[C@H]2CCC[C@H]2CCO)[nH+]cn1 ZINC000893282957 583084551 /nfs/dbraw/zinc/08/45/51/583084551.db2.gz PTNBYLQQIFDXIH-UWVGGRQHSA-N 1 2 236.319 1.481 20 0 BDADLO O=C(COC1CCCCC1)NCc1[nH]cc[nH+]1 ZINC000114125375 588868148 /nfs/dbraw/zinc/86/81/48/588868148.db2.gz FIMDTOAVFQNTEZ-UHFFFAOYSA-N 1 2 237.303 1.375 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOCC1CCC1 ZINC000856344466 588868515 /nfs/dbraw/zinc/86/85/15/588868515.db2.gz PFVHIULJQXZVOO-VIFPVBQESA-N 1 2 237.303 1.436 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOCC1CCC1 ZINC000856344466 588868516 /nfs/dbraw/zinc/86/85/16/588868516.db2.gz PFVHIULJQXZVOO-VIFPVBQESA-N 1 2 237.303 1.436 20 0 BDADLO CNc1cc(N2CCc3ncsc3C2)nc[nH+]1 ZINC000893382438 583133770 /nfs/dbraw/zinc/13/37/70/583133770.db2.gz HOJUQXUNUTYYDL-UHFFFAOYSA-N 1 2 247.327 1.538 20 0 BDADLO CNc1cc(N2CCc3ncsc3C2)[nH+]cn1 ZINC000893382438 583133771 /nfs/dbraw/zinc/13/37/71/583133771.db2.gz HOJUQXUNUTYYDL-UHFFFAOYSA-N 1 2 247.327 1.538 20 0 BDADLO O=C1CCN1C[N@@H+]1CCc2ccsc2C1 ZINC000857234770 583136163 /nfs/dbraw/zinc/13/61/63/583136163.db2.gz UVZTUXGZDRJYPW-UHFFFAOYSA-N 1 2 222.313 1.296 20 0 BDADLO O=C1CCN1C[N@H+]1CCc2ccsc2C1 ZINC000857234770 583136165 /nfs/dbraw/zinc/13/61/65/583136165.db2.gz UVZTUXGZDRJYPW-UHFFFAOYSA-N 1 2 222.313 1.296 20 0 BDADLO CCc1onc(C)c1C[NH2+]Cc1ccno1 ZINC000893550643 583162862 /nfs/dbraw/zinc/16/28/62/583162862.db2.gz GDZAIZBDYXFODW-UHFFFAOYSA-N 1 2 221.260 1.823 20 0 BDADLO Cc1nccnc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000857038974 588883279 /nfs/dbraw/zinc/88/32/79/588883279.db2.gz JQMNAFARDWDXNE-GFCCVEGCSA-N 1 2 243.314 1.845 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1cn(C)nc1Cl ZINC000857046733 588884192 /nfs/dbraw/zinc/88/41/92/588884192.db2.gz PWLXKTCBWRCVTK-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857046733 588884193 /nfs/dbraw/zinc/88/41/93/588884193.db2.gz PWLXKTCBWRCVTK-MRVPVSSYSA-N 1 2 231.727 1.540 20 0 BDADLO Cc1cc(N(C)[C@H](C)CO)nc(C2CCC2)[nH+]1 ZINC000893740480 583216539 /nfs/dbraw/zinc/21/65/39/583216539.db2.gz SRRRDQAKXBCRQY-SNVBAGLBSA-N 1 2 235.331 1.870 20 0 BDADLO CC(C)[N@H+](C)Cc1nc(Br)nn1C ZINC000893871207 583236739 /nfs/dbraw/zinc/23/67/39/583236739.db2.gz IDTDIJZITFIARA-UHFFFAOYSA-N 1 2 247.140 1.418 20 0 BDADLO CC(C)[N@@H+](C)Cc1nc(Br)nn1C ZINC000893871207 583236741 /nfs/dbraw/zinc/23/67/41/583236741.db2.gz IDTDIJZITFIARA-UHFFFAOYSA-N 1 2 247.140 1.418 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2CCCOC2)[nH+]1 ZINC000893889141 583244430 /nfs/dbraw/zinc/24/44/30/583244430.db2.gz VDGKQEHUYYOYKG-VHSXEESVSA-N 1 2 222.288 1.726 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOC(C)(C)C1 ZINC000893962749 583258007 /nfs/dbraw/zinc/25/80/07/583258007.db2.gz QHZNAKLUYDVZIA-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOC(C)(C)C1 ZINC000893962749 583258010 /nfs/dbraw/zinc/25/80/10/583258010.db2.gz QHZNAKLUYDVZIA-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ncnn2C)cnc1F ZINC000893965110 583262566 /nfs/dbraw/zinc/26/25/66/583262566.db2.gz YKEDBZOQQRKMGM-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOCC1(C)C ZINC000893969042 583263409 /nfs/dbraw/zinc/26/34/09/583263409.db2.gz IRCUNAAGXJDIGX-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOCC1(C)C ZINC000893969042 583263411 /nfs/dbraw/zinc/26/34/11/583263411.db2.gz IRCUNAAGXJDIGX-UHFFFAOYSA-N 1 2 210.277 1.594 20 0 BDADLO Cc1[nH]nc(C[NH+]2CCC([C@@H](C)O)CC2)c1C ZINC000893995035 583267394 /nfs/dbraw/zinc/26/73/94/583267394.db2.gz QVLXVCFTNSBVPL-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1cccc(F)c1 ZINC000893983388 583268780 /nfs/dbraw/zinc/26/87/80/583268780.db2.gz BFVZMUQMBZJOHP-TZNOJPMFSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1cccc(F)c1 ZINC000893983388 583268776 /nfs/dbraw/zinc/26/87/76/583268776.db2.gz BFVZMUQMBZJOHP-TZNOJPMFSA-N 1 2 248.301 1.659 20 0 BDADLO CNc1cc(N2CCC[C@](C)(F)C2)nc[nH+]1 ZINC000894006738 583270139 /nfs/dbraw/zinc/27/01/39/583270139.db2.gz XHBLPFDGZWVOKO-NSHDSACASA-N 1 2 224.283 1.847 20 0 BDADLO CNc1cc(N2CCC[C@](C)(F)C2)[nH+]cn1 ZINC000894006738 583270141 /nfs/dbraw/zinc/27/01/41/583270141.db2.gz XHBLPFDGZWVOKO-NSHDSACASA-N 1 2 224.283 1.847 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000894001758 583272161 /nfs/dbraw/zinc/27/21/61/583272161.db2.gz JUZKGJOMQCVBGW-JTQLQIEISA-N 1 2 223.320 1.754 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000894001758 583272163 /nfs/dbraw/zinc/27/21/63/583272163.db2.gz JUZKGJOMQCVBGW-JTQLQIEISA-N 1 2 223.320 1.754 20 0 BDADLO COC(=O)c1cnc(C[N@H+](C)C2CCC2)s1 ZINC000894032708 583277044 /nfs/dbraw/zinc/27/70/44/583277044.db2.gz SGGOZJIUCCYETO-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO COC(=O)c1cnc(C[N@@H+](C)C2CCC2)s1 ZINC000894032708 583277046 /nfs/dbraw/zinc/27/70/46/583277046.db2.gz SGGOZJIUCCYETO-UHFFFAOYSA-N 1 2 240.328 1.914 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+](C)CC[C@H](C)O)n1 ZINC000894035075 583278852 /nfs/dbraw/zinc/27/88/52/583278852.db2.gz YBMUYVFNZBVZJV-JTQLQIEISA-N 1 2 225.336 1.736 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+](C)CC[C@H](C)O)n1 ZINC000894035075 583278853 /nfs/dbraw/zinc/27/88/53/583278853.db2.gz YBMUYVFNZBVZJV-JTQLQIEISA-N 1 2 225.336 1.736 20 0 BDADLO C[C@@H](O)c1cccc(NCC2=CCOCC2)[nH+]1 ZINC000894026725 583280443 /nfs/dbraw/zinc/28/04/43/583280443.db2.gz COIAGADMLUGOAO-SNVBAGLBSA-N 1 2 234.299 1.894 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000894026228 583280503 /nfs/dbraw/zinc/28/05/03/583280503.db2.gz JZUOOSHWUWWOBP-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000894026228 583280505 /nfs/dbraw/zinc/28/05/05/583280505.db2.gz JZUOOSHWUWWOBP-ZJUUUORDSA-N 1 2 210.277 1.592 20 0 BDADLO COC(=O)[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000894027485 583282067 /nfs/dbraw/zinc/28/20/67/583282067.db2.gz JNCSFJIVQRCUDN-QMMMGPOBSA-N 1 2 243.253 1.658 20 0 BDADLO CC(C)c1c[nH]c(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000894043154 583285905 /nfs/dbraw/zinc/28/59/05/583285905.db2.gz PGVUKZOTPBBCRG-CYBMUJFWSA-N 1 2 237.347 1.880 20 0 BDADLO CC(C)c1c[nH]c(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000894043154 583285906 /nfs/dbraw/zinc/28/59/06/583285906.db2.gz PGVUKZOTPBBCRG-CYBMUJFWSA-N 1 2 237.347 1.880 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000894050439 583288182 /nfs/dbraw/zinc/28/81/82/583288182.db2.gz PWEVHYRHEUUHMG-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1ncoc1C[N@H+]1CCOC2(CCC2)C1 ZINC000894050439 583288185 /nfs/dbraw/zinc/28/81/85/583288185.db2.gz PWEVHYRHEUUHMG-UHFFFAOYSA-N 1 2 222.288 1.738 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2CCOC3(CCC3)C2)c1C ZINC000894051148 583289329 /nfs/dbraw/zinc/28/93/29/583289329.db2.gz ZULDQHRJOMCNAZ-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO Cc1n[nH]c(C[N@H+]2CCOC3(CCC3)C2)c1C ZINC000894051148 583289331 /nfs/dbraw/zinc/28/93/31/583289331.db2.gz ZULDQHRJOMCNAZ-UHFFFAOYSA-N 1 2 235.331 1.781 20 0 BDADLO CO[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@H]1C ZINC000894063052 583292783 /nfs/dbraw/zinc/29/27/83/583292783.db2.gz JBCRZQYAQQQOCB-PWSUYJOCSA-N 1 2 246.314 1.591 20 0 BDADLO CO[C@@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1C ZINC000894063050 583292847 /nfs/dbraw/zinc/29/28/47/583292847.db2.gz JBCRZQYAQQQOCB-CMPLNLGQSA-N 1 2 246.314 1.591 20 0 BDADLO CN(Cc1cn(C)nc1C1CC1)Cc1[nH]cc[nH+]1 ZINC000894089227 583298989 /nfs/dbraw/zinc/29/89/89/583298989.db2.gz DGVCKQYUDJIDJP-UHFFFAOYSA-N 1 2 245.330 1.653 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@H](O)C2CCC2)[nH+]1 ZINC000894118004 583309961 /nfs/dbraw/zinc/30/99/61/583309961.db2.gz FXABWAPUYCARTD-BXKDBHETSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000894118038 583310450 /nfs/dbraw/zinc/31/04/50/583310450.db2.gz GOUMVFGOMXKABK-XHNCKOQMSA-N 1 2 208.261 1.070 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@H]2CCC[C@H]2O)[nH+]1 ZINC000894118121 583310572 /nfs/dbraw/zinc/31/05/72/583310572.db2.gz LYIOXHTXQMDXCZ-JFGNBEQYSA-N 1 2 236.315 1.708 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@]2(C)CCC(=O)N2)[nH+]1 ZINC000894141296 583317332 /nfs/dbraw/zinc/31/73/32/583317332.db2.gz WEWGRZPHUGOUMF-NOZJJQNGSA-N 1 2 249.314 1.216 20 0 BDADLO CN(C)c1ncccc1C[NH2+]Cc1cnc[nH]1 ZINC000894176248 583327787 /nfs/dbraw/zinc/32/77/87/583327787.db2.gz RHBBLELTIDYESZ-UHFFFAOYSA-N 1 2 231.303 1.161 20 0 BDADLO C[C@@H](O)c1cccc(N2CCO[C@H](CF)C2)[nH+]1 ZINC000894181207 583331011 /nfs/dbraw/zinc/33/10/11/583331011.db2.gz JXAWONJYHMMEMT-NXEZZACHSA-N 1 2 240.278 1.310 20 0 BDADLO CCCn1cc(C[N@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000877621899 583340009 /nfs/dbraw/zinc/34/00/09/583340009.db2.gz YAHFRGDCNUZZQN-SNVBAGLBSA-N 1 2 238.335 1.033 20 0 BDADLO CCCn1cc(C[N@@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000877621899 583340012 /nfs/dbraw/zinc/34/00/12/583340012.db2.gz YAHFRGDCNUZZQN-SNVBAGLBSA-N 1 2 238.335 1.033 20 0 BDADLO CCc1nc(C)c(C(=O)OCCn2cc[nH+]c2)o1 ZINC000814514819 583355485 /nfs/dbraw/zinc/35/54/85/583355485.db2.gz BBZKILFQHOOTTH-UHFFFAOYSA-N 1 2 249.270 1.599 20 0 BDADLO O=C1C[N@H+](Cc2cccc(Cl)c2)CCCN1 ZINC000726792062 583374082 /nfs/dbraw/zinc/37/40/82/583374082.db2.gz VPVVYAWGXJCOFK-UHFFFAOYSA-N 1 2 238.718 1.662 20 0 BDADLO O=C1C[N@@H+](Cc2cccc(Cl)c2)CCCN1 ZINC000726792062 583374086 /nfs/dbraw/zinc/37/40/86/583374086.db2.gz VPVVYAWGXJCOFK-UHFFFAOYSA-N 1 2 238.718 1.662 20 0 BDADLO Cc1cccnc1NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000878532222 583379993 /nfs/dbraw/zinc/37/99/93/583379993.db2.gz BOLVVRFDJKIBSH-QWRGUYRKSA-N 1 2 233.315 1.811 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ncccn1 ZINC000857279614 588902430 /nfs/dbraw/zinc/90/24/30/588902430.db2.gz BETKRYQQFRQYTB-SECBINFHSA-N 1 2 245.286 1.184 20 0 BDADLO CC[C@@H]1C[C@@H](Nc2cc(NC)nc[nH+]2)CCO1 ZINC000894249221 583391655 /nfs/dbraw/zinc/39/16/55/583391655.db2.gz PJMHKMPKSMCYAQ-VHSXEESVSA-N 1 2 236.319 1.888 20 0 BDADLO CCOc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000894279974 583407795 /nfs/dbraw/zinc/40/77/95/583407795.db2.gz IHUCFZJZCRZMQB-LBPRGKRZSA-N 1 2 243.278 1.585 20 0 BDADLO CCOc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000894279974 583407797 /nfs/dbraw/zinc/40/77/97/583407797.db2.gz IHUCFZJZCRZMQB-LBPRGKRZSA-N 1 2 243.278 1.585 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000894282040 583409445 /nfs/dbraw/zinc/40/94/45/583409445.db2.gz XANLJSYKFRQBNB-LLVKDONJSA-N 1 2 229.251 1.195 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000894282040 583409447 /nfs/dbraw/zinc/40/94/47/583409447.db2.gz XANLJSYKFRQBNB-LLVKDONJSA-N 1 2 229.251 1.195 20 0 BDADLO CCc1nnc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)[nH]1 ZINC000879324131 583423526 /nfs/dbraw/zinc/42/35/26/583423526.db2.gz DAELLCVQXXHAIZ-ZJUUUORDSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)[nH]1 ZINC000879324131 583423527 /nfs/dbraw/zinc/42/35/27/583423527.db2.gz DAELLCVQXXHAIZ-ZJUUUORDSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1cc(N[C@H](CO)CCF)nc(CC)[nH+]1 ZINC000894401318 583449579 /nfs/dbraw/zinc/44/95/79/583449579.db2.gz CGISKLHRMAHJDS-JTQLQIEISA-N 1 2 241.310 1.734 20 0 BDADLO C[C@@H](CCO)[NH2+]c1ccc(OCCCO)cc1 ZINC000894432417 583457740 /nfs/dbraw/zinc/45/77/40/583457740.db2.gz KKMHNRGWJWITAG-NSHDSACASA-N 1 2 239.315 1.631 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CCCSCC2)c1C ZINC000894422726 583458136 /nfs/dbraw/zinc/45/81/36/583458136.db2.gz LJZFGHLBCRNEKD-UHFFFAOYSA-N 1 2 225.361 1.965 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CCCSCC2)c1C ZINC000894422726 583458138 /nfs/dbraw/zinc/45/81/38/583458138.db2.gz LJZFGHLBCRNEKD-UHFFFAOYSA-N 1 2 225.361 1.965 20 0 BDADLO Cc1nonc1CNCc1[nH+]ccn1C1CC1 ZINC000894465438 583466676 /nfs/dbraw/zinc/46/66/76/583466676.db2.gz VNSWNDQVWKNKNS-UHFFFAOYSA-N 1 2 233.275 1.199 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc(F)c(C)c2)[nH]1 ZINC000894466897 583467852 /nfs/dbraw/zinc/46/78/52/583467852.db2.gz FXHKKWQJAVKMAD-MRVPVSSYSA-N 1 2 249.293 1.806 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894504068 583473955 /nfs/dbraw/zinc/47/39/55/583473955.db2.gz LOWBFLPCBYGQHW-GFCCVEGCSA-N 1 2 223.320 1.373 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894504068 583473958 /nfs/dbraw/zinc/47/39/58/583473958.db2.gz LOWBFLPCBYGQHW-GFCCVEGCSA-N 1 2 223.320 1.373 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2n[nH]c(C)c2C)CC[C@H]1C ZINC000894532964 583478944 /nfs/dbraw/zinc/47/89/44/583478944.db2.gz LRMZXMPEPYXBFO-NOZJJQNGSA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2n[nH]c(C)c2C)CC[C@H]1C ZINC000894532964 583478945 /nfs/dbraw/zinc/47/89/45/583478945.db2.gz LRMZXMPEPYXBFO-NOZJJQNGSA-N 1 2 237.347 1.883 20 0 BDADLO CCN1CCC[N@H+](Cc2ocnc2C)CC1=O ZINC000894537072 583479866 /nfs/dbraw/zinc/47/98/66/583479866.db2.gz HGGYQNZYKJWRFX-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCN1CCC[N@@H+](Cc2ocnc2C)CC1=O ZINC000894537072 583479867 /nfs/dbraw/zinc/47/98/67/583479867.db2.gz HGGYQNZYKJWRFX-UHFFFAOYSA-N 1 2 237.303 1.037 20 0 BDADLO CCc1cc(N2CCC[C@@H]2[C@@H](C)O)nc(CC)[nH+]1 ZINC000894572232 583485691 /nfs/dbraw/zinc/48/56/91/583485691.db2.gz GSDIXOKBWQCXPE-ZYHUDNBSSA-N 1 2 249.358 1.951 20 0 BDADLO CCCn1nccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894586923 583489495 /nfs/dbraw/zinc/48/94/95/583489495.db2.gz MKWHXFHHETWHKL-UHFFFAOYSA-N 1 2 233.319 1.648 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cnc(C2CC2)nc1 ZINC000894586165 583489650 /nfs/dbraw/zinc/48/96/50/583489650.db2.gz APVZZJQSTKCWQO-UHFFFAOYSA-N 1 2 243.314 1.709 20 0 BDADLO CCn1cc(C[N@H+](C2CC2)C2COC2)c(C)n1 ZINC000894658598 583498907 /nfs/dbraw/zinc/49/89/07/583498907.db2.gz IWKPJCGDLDSYHM-UHFFFAOYSA-N 1 2 235.331 1.575 20 0 BDADLO CCn1cc(C[N@@H+](C2CC2)C2COC2)c(C)n1 ZINC000894658598 583498908 /nfs/dbraw/zinc/49/89/08/583498908.db2.gz IWKPJCGDLDSYHM-UHFFFAOYSA-N 1 2 235.331 1.575 20 0 BDADLO Cc1cc(N[C@H]2C[C@H](O)C2)nc(C2CCC2)[nH+]1 ZINC000894640963 583499132 /nfs/dbraw/zinc/49/91/32/583499132.db2.gz LVJROAFSYSSXDS-XYPYZODXSA-N 1 2 233.315 1.988 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](O)C2)nc(CC)[nH+]1 ZINC000894641192 583499437 /nfs/dbraw/zinc/49/94/37/583499437.db2.gz NDINXARVHBWTLH-MGCOHNPYSA-N 1 2 221.304 1.537 20 0 BDADLO COc1ccc(C[N@H+](C(C)C)C2COC2)o1 ZINC000894658707 583504631 /nfs/dbraw/zinc/50/46/31/583504631.db2.gz JXZJIYRBTSOJPZ-UHFFFAOYSA-N 1 2 225.288 1.897 20 0 BDADLO COc1ccc(C[N@@H+](C(C)C)C2COC2)o1 ZINC000894658707 583504633 /nfs/dbraw/zinc/50/46/33/583504633.db2.gz JXZJIYRBTSOJPZ-UHFFFAOYSA-N 1 2 225.288 1.897 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H]2C2CC2)s1 ZINC000894687275 583506899 /nfs/dbraw/zinc/50/68/99/583506899.db2.gz ALCKLGGPKGCVMV-SECBINFHSA-N 1 2 209.318 1.831 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H]2C2CC2)s1 ZINC000894687275 583506900 /nfs/dbraw/zinc/50/69/00/583506900.db2.gz ALCKLGGPKGCVMV-SECBINFHSA-N 1 2 209.318 1.831 20 0 BDADLO CCc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc(CC)[nH+]1 ZINC000894732127 583514340 /nfs/dbraw/zinc/51/43/40/583514340.db2.gz ZUJPXLIEYHTMNJ-CZMCAQCFSA-N 1 2 248.330 1.277 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(F)nc2C)[nH]1 ZINC000894774061 583517353 /nfs/dbraw/zinc/51/73/53/583517353.db2.gz NKZVBWSYBKIUKT-QMMMGPOBSA-N 1 2 249.293 1.806 20 0 BDADLO COC1(C)C[NH+](Cc2[nH]nc(C)c2C)C1 ZINC000894781503 583520259 /nfs/dbraw/zinc/52/02/59/583520259.db2.gz QHUSCPMNRSPMKM-UHFFFAOYSA-N 1 2 209.293 1.247 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894799676 583522366 /nfs/dbraw/zinc/52/23/66/583522366.db2.gz MGBFCWPQDBXGST-GFCCVEGCSA-N 1 2 239.319 1.351 20 0 BDADLO COC1C[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000894819743 583524722 /nfs/dbraw/zinc/52/47/22/583524722.db2.gz PXHOHWCFEVLEMY-UHFFFAOYSA-N 1 2 221.304 1.128 20 0 BDADLO CC1(CO)C[NH+](Cc2ccnn2C2CCC2)C1 ZINC000894840562 583530351 /nfs/dbraw/zinc/53/03/51/583530351.db2.gz MCQARSPYBWFCFK-UHFFFAOYSA-N 1 2 235.331 1.422 20 0 BDADLO CCCn1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000894861988 583535084 /nfs/dbraw/zinc/53/50/84/583535084.db2.gz QPNDNRZZJAPLJU-UWVGGRQHSA-N 1 2 208.309 1.528 20 0 BDADLO CCCn1cc(C[N@H+]2C[C@H](C)[C@@H]2C)nn1 ZINC000894861988 583535086 /nfs/dbraw/zinc/53/50/86/583535086.db2.gz QPNDNRZZJAPLJU-UWVGGRQHSA-N 1 2 208.309 1.528 20 0 BDADLO COc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)nc1 ZINC000894865097 583536970 /nfs/dbraw/zinc/53/69/70/583536970.db2.gz FROJBIFKXSWIEZ-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO Cc1n[nH]c(C[N@@H+](C(C)C)C2COC2)c1C ZINC000894869475 583539578 /nfs/dbraw/zinc/53/95/78/583539578.db2.gz XWNFVVGEZQFUFH-UHFFFAOYSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@H+](C(C)C)C2COC2)c1C ZINC000894869475 583539581 /nfs/dbraw/zinc/53/95/81/583539581.db2.gz XWNFVVGEZQFUFH-UHFFFAOYSA-N 1 2 223.320 1.636 20 0 BDADLO OCc1ccc(C[NH+]2CC(C(F)(F)F)C2)o1 ZINC000894892033 583548700 /nfs/dbraw/zinc/54/87/00/583548700.db2.gz JHANOUKHIOIUCN-UHFFFAOYSA-N 1 2 235.205 1.766 20 0 BDADLO Cc1nc(N2Cc3c[nH]nc3[C@H](C)C2)cc[nH+]1 ZINC000894893326 583548776 /nfs/dbraw/zinc/54/87/76/583548776.db2.gz DCRSDORGEAEVTN-MRVPVSSYSA-N 1 2 229.287 1.632 20 0 BDADLO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000894925817 583556996 /nfs/dbraw/zinc/55/69/96/583556996.db2.gz ONFNYOZCFCCSEM-NKWVEPMBSA-N 1 2 229.305 1.140 20 0 BDADLO Cc1nc(N2CC(OC(C)C)C2)cc[nH+]1 ZINC000894968175 583560405 /nfs/dbraw/zinc/56/04/05/583560405.db2.gz TZIOAPWACKCUKO-UHFFFAOYSA-N 1 2 207.277 1.399 20 0 BDADLO CC(C)c1c[nH]c(C[NH+]2CC(C(C)(C)O)C2)n1 ZINC000894976960 583563068 /nfs/dbraw/zinc/56/30/68/583563068.db2.gz NQPKHKKOFSITGD-UHFFFAOYSA-N 1 2 237.347 1.736 20 0 BDADLO Cc1[nH]nc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1C ZINC000895035068 583570423 /nfs/dbraw/zinc/57/04/23/583570423.db2.gz WIJRLHVZAYAXBY-JOYOIKCWSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1C ZINC000895035068 583570426 /nfs/dbraw/zinc/57/04/26/583570426.db2.gz WIJRLHVZAYAXBY-JOYOIKCWSA-N 1 2 237.347 1.477 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1cc(N(C)C)nc[nH+]1 ZINC000895045262 583571894 /nfs/dbraw/zinc/57/18/94/583571894.db2.gz VUHYPKSGWCNJBH-UWVGGRQHSA-N 1 2 238.335 1.504 20 0 BDADLO CC[C@@H](C[C@H](C)O)Nc1cc(N(C)C)[nH+]cn1 ZINC000895045262 583571896 /nfs/dbraw/zinc/57/18/96/583571896.db2.gz VUHYPKSGWCNJBH-UWVGGRQHSA-N 1 2 238.335 1.504 20 0 BDADLO CC(=O)C1CCN(c2cccc([C@H](C)O)[nH+]2)CC1 ZINC000895062515 583577440 /nfs/dbraw/zinc/57/74/40/583577440.db2.gz GOQSQSLJHFQCQP-NSHDSACASA-N 1 2 248.326 1.940 20 0 BDADLO CCc1cc(NC[C@H]2C[C@H](O)C2)nc(CC)[nH+]1 ZINC000895074211 583580269 /nfs/dbraw/zinc/58/02/69/583580269.db2.gz LPSZWWXBPVAIRM-HOMQSWHASA-N 1 2 235.331 1.784 20 0 BDADLO C[C@H](CC(=O)N1CCC(F)CC1)n1cc[nH+]c1 ZINC000881613591 583581957 /nfs/dbraw/zinc/58/19/57/583581957.db2.gz HNKXPTMYRQTQQR-SNVBAGLBSA-N 1 2 239.294 1.795 20 0 BDADLO Cc1ncnc(NCCCn2cc[nH+]c2)c1C ZINC000881735908 583583879 /nfs/dbraw/zinc/58/38/79/583583879.db2.gz SYHKQRVHNYZPAC-UHFFFAOYSA-N 1 2 231.303 1.792 20 0 BDADLO Cc1cn(C)nc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000840689191 583590553 /nfs/dbraw/zinc/59/05/53/583590553.db2.gz WGKMVJNVURXYKD-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000335329825 583613060 /nfs/dbraw/zinc/61/30/60/583613060.db2.gz MLFFFXLCUOLLKD-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1nc(C)c(C(=O)N2CC[N@H+](C)C[C@@H]2C)o1 ZINC000335329825 583613061 /nfs/dbraw/zinc/61/30/61/583613061.db2.gz MLFFFXLCUOLLKD-QMMMGPOBSA-N 1 2 237.303 1.068 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)Cc2cc[nH]c(=O)c2)n1 ZINC000895220843 583628593 /nfs/dbraw/zinc/62/85/93/583628593.db2.gz LSNLBNFKBGNLAS-MRVPVSSYSA-N 1 2 248.286 1.672 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cc[nH]c(=O)c2)n1 ZINC000895220843 583628594 /nfs/dbraw/zinc/62/85/94/583628594.db2.gz LSNLBNFKBGNLAS-MRVPVSSYSA-N 1 2 248.286 1.672 20 0 BDADLO Cc1noc(CN(C)Cc2[nH+]ccn2C2CC2)n1 ZINC000895230676 583628726 /nfs/dbraw/zinc/62/87/26/583628726.db2.gz HNJRNSFXOSYYIY-UHFFFAOYSA-N 1 2 247.302 1.541 20 0 BDADLO CNc1cc(CNc2ncncc2C)cc[nH+]1 ZINC000895254550 583633641 /nfs/dbraw/zinc/63/36/41/583633641.db2.gz AJQOADWLTLSZRO-UHFFFAOYSA-N 1 2 229.287 1.834 20 0 BDADLO COC(=O)[C@@H]1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000895295272 583639033 /nfs/dbraw/zinc/63/90/33/583639033.db2.gz KMWJMCZABGKRJW-ZJUUUORDSA-N 1 2 235.287 1.539 20 0 BDADLO CCc1nc(C[NH2+]C[C@@H]2CC(C)=NO2)cs1 ZINC000895312513 583647854 /nfs/dbraw/zinc/64/78/54/583647854.db2.gz XBQBBIVQLKKAAJ-JTQLQIEISA-N 1 2 239.344 1.960 20 0 BDADLO NC(=O)[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000727466486 583655792 /nfs/dbraw/zinc/65/57/92/583655792.db2.gz VIDOTCADRDFUBD-LBPRGKRZSA-N 1 2 230.267 1.596 20 0 BDADLO C[N@H+](CC1(C)CCCC1)C1CS(=O)(=O)C1 ZINC000895399513 583665829 /nfs/dbraw/zinc/66/58/29/583665829.db2.gz ONNIRDUUKFZDRO-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO C[N@@H+](CC1(C)CCCC1)C1CS(=O)(=O)C1 ZINC000895399513 583665831 /nfs/dbraw/zinc/66/58/31/583665831.db2.gz ONNIRDUUKFZDRO-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO CO[C@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CC1 ZINC000895431436 583670599 /nfs/dbraw/zinc/67/05/99/583670599.db2.gz MSSIPYOJDFUMPH-RKDXNWHRSA-N 1 2 205.248 1.751 20 0 BDADLO CO[C@H](C[N@H+]1CC[C@@H]1C(F)F)C1CC1 ZINC000895431436 583670600 /nfs/dbraw/zinc/67/06/00/583670600.db2.gz MSSIPYOJDFUMPH-RKDXNWHRSA-N 1 2 205.248 1.751 20 0 BDADLO Cc1c[nH]c(CN2CC[C@H]2C(F)F)[nH+]1 ZINC000895431425 583670947 /nfs/dbraw/zinc/67/09/47/583670947.db2.gz MMQHQXIJWLXYLR-ZETCQYMHSA-N 1 2 201.220 1.558 20 0 BDADLO O=C(/C=C/C1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884938 588920375 /nfs/dbraw/zinc/92/03/75/588920375.db2.gz MXKYUJLBCHUCQV-BTDICHCPSA-N 1 2 245.326 1.670 20 0 BDADLO CC/C(C)=C/C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857885894 588920545 /nfs/dbraw/zinc/92/05/45/588920545.db2.gz PRFXCEBOZBFQHO-WXLQGSQKSA-N 1 2 219.288 1.280 20 0 BDADLO COC(=O)/C(C)=C\CNc1cc[nH+]c(C)n1 ZINC000895512806 583682224 /nfs/dbraw/zinc/68/22/24/583682224.db2.gz CTCCISSBFYBIFC-YWEYNIOJSA-N 1 2 221.260 1.316 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000857890160 588921186 /nfs/dbraw/zinc/92/11/86/588921186.db2.gz QXJGGVCUDYKSPV-GZSLLUSXSA-N 1 2 245.326 1.670 20 0 BDADLO CNc1cc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[nH+]cn1 ZINC000895537975 583687534 /nfs/dbraw/zinc/68/75/34/583687534.db2.gz XHUDOVWFFVVLHG-DOLQZWNJSA-N 1 2 218.304 1.975 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000895543355 583688527 /nfs/dbraw/zinc/68/85/27/583688527.db2.gz JWQNXPRSHVUFDY-YPMHNXCESA-N 1 2 234.299 1.553 20 0 BDADLO CCCS(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC000857900246 588921969 /nfs/dbraw/zinc/92/19/69/588921969.db2.gz ZTLBQRVBGUNPLP-SECBINFHSA-N 1 2 240.328 1.572 20 0 BDADLO CCS(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC000857899364 588922188 /nfs/dbraw/zinc/92/21/88/588922188.db2.gz CNXLVMHQJMQZMN-MRVPVSSYSA-N 1 2 226.301 1.182 20 0 BDADLO CC[C@@H](C)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000895699583 583709368 /nfs/dbraw/zinc/70/93/68/583709368.db2.gz TWMSPTVNUVMFTK-SNVBAGLBSA-N 1 2 238.335 1.656 20 0 BDADLO COc1nccc(CNCc2[nH]cc[nH+]2)c1F ZINC000895704982 583710175 /nfs/dbraw/zinc/71/01/75/583710175.db2.gz RELDUAGMJBETCM-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO COc1nccc(C[NH2+]Cc2ncc[nH]2)c1F ZINC000895704982 583710177 /nfs/dbraw/zinc/71/01/77/583710177.db2.gz RELDUAGMJBETCM-UHFFFAOYSA-N 1 2 236.250 1.242 20 0 BDADLO Cc1nn(C)c(CNCc2[nH]cc[nH+]2)c1Cl ZINC000895705140 583710239 /nfs/dbraw/zinc/71/02/39/583710239.db2.gz WDKUAVKUAWNPNL-UHFFFAOYSA-N 1 2 239.710 1.395 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCCn2nncc2C1 ZINC000895757526 583721393 /nfs/dbraw/zinc/72/13/93/583721393.db2.gz WZXJHXCVRAZXHM-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO Cc1ccoc1C[N@H+]1CCCn2nncc2C1 ZINC000895757526 583721395 /nfs/dbraw/zinc/72/13/95/583721395.db2.gz WZXJHXCVRAZXHM-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1C ZINC000895777269 583726460 /nfs/dbraw/zinc/72/64/60/583726460.db2.gz QWBDTRLGUXVCSN-PHIMTYICSA-N 1 2 237.372 1.821 20 0 BDADLO COC1(C[C@@H](C)[NH2+][C@H]2CCOC2=O)CCC1 ZINC000895803125 583731470 /nfs/dbraw/zinc/73/14/70/583731470.db2.gz CGORZWRLLCKOFZ-ZJUUUORDSA-N 1 2 227.304 1.239 20 0 BDADLO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CCO1 ZINC000895803673 583731572 /nfs/dbraw/zinc/73/15/72/583731572.db2.gz DULVIQWSKMYNKJ-VWYCJHECSA-N 1 2 227.304 1.095 20 0 BDADLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000895803386 583731729 /nfs/dbraw/zinc/73/17/29/583731729.db2.gz HSPPOSOPTGNNKM-OLZOCXBDSA-N 1 2 231.295 1.449 20 0 BDADLO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOC2=O)CS1 ZINC000895804060 583731792 /nfs/dbraw/zinc/73/17/92/583731792.db2.gz MBEDHRKLAAYPNK-GUBZILKMSA-N 1 2 243.372 1.812 20 0 BDADLO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCOC1=O ZINC000895804693 583732020 /nfs/dbraw/zinc/73/20/20/583732020.db2.gz VGICRIORCZITOR-KOLCDFICSA-N 1 2 239.340 1.974 20 0 BDADLO CCSCC[NH2+]Cc1nc(CSC)n[nH]1 ZINC000895816902 583733650 /nfs/dbraw/zinc/73/36/50/583733650.db2.gz DZDZDPGAFGTUBU-UHFFFAOYSA-N 1 2 246.405 1.510 20 0 BDADLO CCSCC[NH2+]Cc1nnc(CSC)[nH]1 ZINC000895816902 583733651 /nfs/dbraw/zinc/73/36/51/583733651.db2.gz DZDZDPGAFGTUBU-UHFFFAOYSA-N 1 2 246.405 1.510 20 0 BDADLO CC(C)(C)/C=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857961830 588925598 /nfs/dbraw/zinc/92/55/98/588925598.db2.gz GTUNPXZXZVTPCZ-QZPNVGJNSA-N 1 2 247.342 1.916 20 0 BDADLO Cc1cccc2nc[nH+]c(N3CCOCN3)c12 ZINC000895921102 583749303 /nfs/dbraw/zinc/74/93/03/583749303.db2.gz AQKBEXCMFPAMQL-UHFFFAOYSA-N 1 2 230.271 1.237 20 0 BDADLO CO[C@H]1CN(Cc2[nH]cc(C(C)C)[nH+]2)CCO1 ZINC000895961837 583750806 /nfs/dbraw/zinc/75/08/06/583750806.db2.gz FOBFTJUBRTULSJ-GFCCVEGCSA-N 1 2 239.319 1.338 20 0 BDADLO Cc1noc(C)c1C[NH+]1CC(OC(C)C)C1 ZINC000895951342 583751406 /nfs/dbraw/zinc/75/14/06/583751406.db2.gz DIRVCJANXCYSHG-UHFFFAOYSA-N 1 2 224.304 1.901 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ncccc1F ZINC000857974126 588926428 /nfs/dbraw/zinc/92/64/28/588926428.db2.gz FQVYWVIHTAVSLW-VIFPVBQESA-N 1 2 246.245 1.292 20 0 BDADLO Cc1cc[nH]c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978490 588926547 /nfs/dbraw/zinc/92/65/47/588926547.db2.gz GSOCDIXVAIFKKC-VIFPVBQESA-N 1 2 230.271 1.394 20 0 BDADLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)ccn1C ZINC000857978541 588926629 /nfs/dbraw/zinc/92/66/29/588926629.db2.gz HUPLQCILLRBKBG-NSHDSACASA-N 1 2 244.298 1.405 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978862 588926670 /nfs/dbraw/zinc/92/66/70/588926670.db2.gz RCNONLMXDHYZLL-SNVBAGLBSA-N 1 2 233.315 1.880 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2occc2C)CCO1 ZINC000895968452 583754914 /nfs/dbraw/zinc/75/49/14/583754914.db2.gz NQNIIGOKCUVQJY-NSHDSACASA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2occc2C)CCO1 ZINC000895968452 583754916 /nfs/dbraw/zinc/75/49/16/583754916.db2.gz NQNIIGOKCUVQJY-NSHDSACASA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000895969760 583755035 /nfs/dbraw/zinc/75/50/35/583755035.db2.gz PUVTYWQGZIXMPI-NSHDSACASA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000895969760 583755038 /nfs/dbraw/zinc/75/50/38/583755038.db2.gz PUVTYWQGZIXMPI-NSHDSACASA-N 1 2 211.261 1.393 20 0 BDADLO CO[C@@H]1CN(Cc2cccc3[nH+]ccn32)CCO1 ZINC000895968908 583755051 /nfs/dbraw/zinc/75/50/51/583755051.db2.gz UYJUBMVKMFBPOI-ZDUSSCGKSA-N 1 2 247.298 1.139 20 0 BDADLO COCC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857978367 588926771 /nfs/dbraw/zinc/92/67/71/588926771.db2.gz MYGFGZIAMOABGG-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO COCC1CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000895974714 583756863 /nfs/dbraw/zinc/75/68/63/583756863.db2.gz IWRFQDMJEKOLSX-UHFFFAOYSA-N 1 2 209.293 1.105 20 0 BDADLO COCC1C[NH+](Cc2nc(C)c(C)[nH]2)C1 ZINC000895974714 583756864 /nfs/dbraw/zinc/75/68/64/583756864.db2.gz IWRFQDMJEKOLSX-UHFFFAOYSA-N 1 2 209.293 1.105 20 0 BDADLO CCC/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977485 588926944 /nfs/dbraw/zinc/92/69/44/588926944.db2.gz VYULTKRVDRMSOE-UMCURTJPSA-N 1 2 219.288 1.800 20 0 BDADLO CO[C@](C)(C(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857978202 588927068 /nfs/dbraw/zinc/92/70/68/588927068.db2.gz MCTBRUSDRNTVGF-GWCFXTLKSA-N 1 2 249.314 1.259 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccnc1F ZINC000857978414 588927074 /nfs/dbraw/zinc/92/70/74/588927074.db2.gz FQTUTQJNELBCCK-SECBINFHSA-N 1 2 246.245 1.292 20 0 BDADLO CC1=C(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCO1 ZINC000857981034 588927399 /nfs/dbraw/zinc/92/73/99/588927399.db2.gz WCEAHPLOVOTNLK-NSHDSACASA-N 1 2 247.298 1.529 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857982988 588928048 /nfs/dbraw/zinc/92/80/48/588928048.db2.gz UOBPJCAZDRLRFM-VWYCJHECSA-N 1 2 233.315 1.880 20 0 BDADLO C[NH+](C)C1(c2nc(Cc3ccon3)no2)CC1 ZINC000896095417 583771254 /nfs/dbraw/zinc/77/12/54/583771254.db2.gz VMRSCBNZXILJCY-UHFFFAOYSA-N 1 2 234.259 1.199 20 0 BDADLO C[C@@H](O)c1ncc(C[NH+]2CC3(CC3)C2)s1 ZINC000896121111 583774138 /nfs/dbraw/zinc/77/41/38/583774138.db2.gz FFWIFZBTHRLLMM-MRVPVSSYSA-N 1 2 224.329 1.792 20 0 BDADLO C[C@@H](O)c1cccc(NCC[C@@H]2CNC(=O)C2)[nH+]1 ZINC000896135932 583775687 /nfs/dbraw/zinc/77/56/87/583775687.db2.gz RSULKIRIGSWTSJ-ZJUUUORDSA-N 1 2 249.314 1.073 20 0 BDADLO Cc1[nH+]cnc(NCC2CC3(C2)OCCO3)c1C ZINC000896152025 583776586 /nfs/dbraw/zinc/77/65/86/583776586.db2.gz VIRWEDFWHCYCDD-UHFFFAOYSA-N 1 2 249.314 1.658 20 0 BDADLO C[C@@H](OCC1CC1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983747 588928496 /nfs/dbraw/zinc/92/84/96/588928496.db2.gz DGBJPSPMBSCZHH-MWLCHTKSSA-N 1 2 249.314 1.259 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)O1 ZINC000857983794 588928557 /nfs/dbraw/zinc/92/85/57/588928557.db2.gz VFXGBDIIRXRYER-SCVCMEIPSA-N 1 2 249.314 1.402 20 0 BDADLO Cc1nc(C)c(C(=O)N[C@@H]2CCn3c[nH+]cc32)o1 ZINC000857983423 588928564 /nfs/dbraw/zinc/92/85/64/588928564.db2.gz RLNNSBOIEMGZMW-SECBINFHSA-N 1 2 246.270 1.363 20 0 BDADLO Cc1nc(NC[C@@]2(C)CCCCO2)nc(N)[nH+]1 ZINC000896180315 583779883 /nfs/dbraw/zinc/77/98/83/583779883.db2.gz HDWKVSNWWXBBKL-LLVKDONJSA-N 1 2 237.307 1.133 20 0 BDADLO Cc1nc(N)nc(NC[C@@]2(C)CCCCO2)[nH+]1 ZINC000896180315 583779884 /nfs/dbraw/zinc/77/98/84/583779884.db2.gz HDWKVSNWWXBBKL-LLVKDONJSA-N 1 2 237.307 1.133 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCCS1 ZINC000857984092 588928785 /nfs/dbraw/zinc/92/87/85/588928785.db2.gz XPTZQFLTYSOIKH-WCBMZHEXSA-N 1 2 237.328 1.340 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCCOC1 ZINC000857983351 588928881 /nfs/dbraw/zinc/92/88/81/588928881.db2.gz ZYEUTAPZXWJYTQ-MFKMUULPSA-N 1 2 249.314 1.261 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983242 588928894 /nfs/dbraw/zinc/92/88/94/588928894.db2.gz YHANKRRMTIILMO-XHNCKOQMSA-N 1 2 205.261 1.100 20 0 BDADLO O=C(CCc1ccco1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988394 588929126 /nfs/dbraw/zinc/92/91/26/588929126.db2.gz JGYJLPWVTCMEEA-LLVKDONJSA-N 1 2 245.282 1.670 20 0 BDADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CCC2)[nH]n1 ZINC000896251769 583787108 /nfs/dbraw/zinc/78/71/08/583787108.db2.gz QWNSOJASPRWXIV-GFCCVEGCSA-N 1 2 248.330 1.459 20 0 BDADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CCC2)[nH]n1 ZINC000896251769 583787109 /nfs/dbraw/zinc/78/71/09/583787109.db2.gz QWNSOJASPRWXIV-GFCCVEGCSA-N 1 2 248.330 1.459 20 0 BDADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CCC2)n[nH]1 ZINC000896251769 583787112 /nfs/dbraw/zinc/78/71/12/583787112.db2.gz QWNSOJASPRWXIV-GFCCVEGCSA-N 1 2 248.330 1.459 20 0 BDADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CCC2)n[nH]1 ZINC000896251769 583787113 /nfs/dbraw/zinc/78/71/13/583787113.db2.gz QWNSOJASPRWXIV-GFCCVEGCSA-N 1 2 248.330 1.459 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)C1(C2CC2)CC1 ZINC000896285838 583788951 /nfs/dbraw/zinc/78/89/51/583788951.db2.gz GAOMEYCEIKLDJJ-UHFFFAOYSA-N 1 2 219.288 1.259 20 0 BDADLO CC(C)OCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990119 588929687 /nfs/dbraw/zinc/92/96/87/588929687.db2.gz RPXICBDPUBTJMS-SNVBAGLBSA-N 1 2 237.303 1.259 20 0 BDADLO Cc1ccoc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989949 588929937 /nfs/dbraw/zinc/92/99/37/588929937.db2.gz UOBXFEZPTSVDBU-VIFPVBQESA-N 1 2 231.255 1.659 20 0 BDADLO CC(C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990904 588929958 /nfs/dbraw/zinc/92/99/58/588929958.db2.gz SIOPENVWRVYPSJ-SECBINFHSA-N 1 2 207.277 1.490 20 0 BDADLO CCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857994992 588930046 /nfs/dbraw/zinc/93/00/46/588930046.db2.gz WOTRKEFSOGPZGO-UHFFFAOYSA-N 1 2 219.288 1.949 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)CC(C)(C)O)CCN2 ZINC000858000559 588930392 /nfs/dbraw/zinc/93/03/92/588930392.db2.gz JITYGZLSOHTNOM-UHFFFAOYSA-N 1 2 249.314 1.310 20 0 BDADLO Cc1c[nH+]c2c(c1)N(C(=O)C1(F)CC1)CCN2 ZINC000858002663 588930580 /nfs/dbraw/zinc/93/05/80/588930580.db2.gz ZMJQSYHQDVDYQP-UHFFFAOYSA-N 1 2 235.262 1.651 20 0 BDADLO CCOCCOCCNc1cc(C)[nH+]cn1 ZINC000896480336 583805708 /nfs/dbraw/zinc/80/57/08/583805708.db2.gz LYEJTZDIGHNCBW-UHFFFAOYSA-N 1 2 225.292 1.250 20 0 BDADLO C[C@H](Cc1nc(-c2c[nH]cn2)no1)n1cc[nH+]c1 ZINC000896483217 583806103 /nfs/dbraw/zinc/80/61/03/583806103.db2.gz UCEJHIIWBXZTMR-MRVPVSSYSA-N 1 2 244.258 1.460 20 0 BDADLO CC(C)Cn1ccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000896496303 583806744 /nfs/dbraw/zinc/80/67/44/583806744.db2.gz ALTSGALYAYMSOV-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO CC(C)Cn1ccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000896496303 583806745 /nfs/dbraw/zinc/80/67/45/583806745.db2.gz ALTSGALYAYMSOV-UHFFFAOYSA-N 1 2 247.302 1.192 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCOC2(CCC2)C1 ZINC000896497511 583807315 /nfs/dbraw/zinc/80/73/15/583807315.db2.gz LJIVXJPEVSBIGH-JTQLQIEISA-N 1 2 249.314 1.375 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCOC2(CCC2)C1 ZINC000896497511 583807317 /nfs/dbraw/zinc/80/73/17/583807317.db2.gz LJIVXJPEVSBIGH-JTQLQIEISA-N 1 2 249.314 1.375 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccnc(F)c2)no1 ZINC000858107430 588933607 /nfs/dbraw/zinc/93/36/07/588933607.db2.gz CGMGKSWTEJFKKL-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO C[C@H]1CC[N@H+](Cc2cnn(C)c2Cl)CCO1 ZINC000896576734 583813749 /nfs/dbraw/zinc/81/37/49/583813749.db2.gz DRVRQVUAODKSQL-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2cnn(C)c2Cl)CCO1 ZINC000896576734 583813751 /nfs/dbraw/zinc/81/37/51/583813751.db2.gz DRVRQVUAODKSQL-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cc(F)ncc2F)CCO1 ZINC000896578969 583814414 /nfs/dbraw/zinc/81/44/14/583814414.db2.gz YVDTUBBFPHCALA-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cc(F)ncc2F)CCO1 ZINC000896578969 583814415 /nfs/dbraw/zinc/81/44/15/583814415.db2.gz YVDTUBBFPHCALA-SECBINFHSA-N 1 2 242.269 1.971 20 0 BDADLO CCn1c[nH+]c2c1CCN(c1cncc(C)n1)C2 ZINC000896659013 583820890 /nfs/dbraw/zinc/82/08/90/583820890.db2.gz CONXOAQZFYAOFT-UHFFFAOYSA-N 1 2 243.314 1.564 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)CC1CCCC1 ZINC000896928003 583859155 /nfs/dbraw/zinc/85/91/55/583859155.db2.gz XINDMASRGKRJAY-SECBINFHSA-N 1 2 214.309 1.222 20 0 BDADLO Cc1[nH]c(CNC(=O)C(C)(F)F)[nH+]c1C ZINC000896909232 583852337 /nfs/dbraw/zinc/85/23/37/583852337.db2.gz FDJHKUPUPLZNMR-UHFFFAOYSA-N 1 2 217.219 1.298 20 0 BDADLO Cc1[nH]c(CNC(=O)C(C)(C)C(F)F)[nH+]c1C ZINC000896910356 583852870 /nfs/dbraw/zinc/85/28/70/583852870.db2.gz NGBNEXNYCNTZCZ-UHFFFAOYSA-N 1 2 245.273 1.934 20 0 BDADLO Cc1[nH]c(CNC(=O)COC(C)(C)C)[nH+]c1C ZINC000896913703 583853999 /nfs/dbraw/zinc/85/39/99/583853999.db2.gz WDTUNWJHYKNPSS-UHFFFAOYSA-N 1 2 239.319 1.458 20 0 BDADLO CCO[C@@H]1C[C@H]1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922127 583856831 /nfs/dbraw/zinc/85/68/31/583856831.db2.gz KQWHFSJWOMNSNR-NXEZZACHSA-N 1 2 237.303 1.068 20 0 BDADLO CCC[C@@H]([NH2+]CC(=O)NOC)[C@H]1CC1(C)C ZINC000896924032 583858833 /nfs/dbraw/zinc/85/88/33/583858833.db2.gz JNZICPCLXNFXGV-NXEZZACHSA-N 1 2 228.336 1.468 20 0 BDADLO Cc1[nH]c(CNC(=O)CCc2ccco2)[nH+]c1C ZINC000896927531 583859358 /nfs/dbraw/zinc/85/93/58/583859358.db2.gz JCCORNJUQVKOFC-UHFFFAOYSA-N 1 2 247.298 1.869 20 0 BDADLO CONC(=O)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000896926664 583860003 /nfs/dbraw/zinc/86/00/03/583860003.db2.gz JSHIKZVLSCCYNP-SSDOTTSWSA-N 1 2 242.241 1.375 20 0 BDADLO CCc1nc(N[C@H]2CC23CC(O)C3)cc[nH+]1 ZINC000897086573 583878487 /nfs/dbraw/zinc/87/84/87/583878487.db2.gz GDHRNVHDFHXMHS-XEVUQIKYSA-N 1 2 219.288 1.364 20 0 BDADLO Cc1cc(N[C@@H]2CC23CC(O)C3)nc(C2CC2)[nH+]1 ZINC000897090939 583878718 /nfs/dbraw/zinc/87/87/18/583878718.db2.gz BAPOYXBXUIVUKI-IQLKVPPVSA-N 1 2 245.326 1.988 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000897149285 583885062 /nfs/dbraw/zinc/88/50/62/583885062.db2.gz RSJYPYQIQOLRDQ-WDEREUQCSA-N 1 2 233.315 1.968 20 0 BDADLO Nc1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000897177144 583890135 /nfs/dbraw/zinc/89/01/35/583890135.db2.gz KFAWGZKXAHEEJE-LPEHRKFASA-N 1 2 245.330 1.932 20 0 BDADLO Nc1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)[nH+]c(C2CC2)n1 ZINC000897177144 583890136 /nfs/dbraw/zinc/89/01/36/583890136.db2.gz KFAWGZKXAHEEJE-LPEHRKFASA-N 1 2 245.330 1.932 20 0 BDADLO Cc1nc(N[C@@H]2C[C@H]3CCC[C@H]32)nc(N)[nH+]1 ZINC000897177906 583890285 /nfs/dbraw/zinc/89/02/85/583890285.db2.gz XFWBPSNXFYJLQF-IWSPIJDZSA-N 1 2 219.292 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2C[C@H]3CCC[C@H]32)[nH+]1 ZINC000897177906 583890287 /nfs/dbraw/zinc/89/02/87/583890287.db2.gz XFWBPSNXFYJLQF-IWSPIJDZSA-N 1 2 219.292 1.363 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897180030 583891139 /nfs/dbraw/zinc/89/11/39/583891139.db2.gz NQJRGMVJQDWHJZ-IQJOONFLSA-N 1 2 243.314 1.964 20 0 BDADLO CCCCc1cc(NCc2nnc(C)[nH]2)nc[nH+]1 ZINC000897208974 583894714 /nfs/dbraw/zinc/89/47/14/583894714.db2.gz JEKCMMIOESSOHX-UHFFFAOYSA-N 1 2 246.318 1.858 20 0 BDADLO COc1nn(C)cc1CNc1nc[nH+]c(C)c1C ZINC000897242813 583900885 /nfs/dbraw/zinc/90/08/85/583900885.db2.gz NGAUBXYHKRZWPQ-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BDADLO CCc1nc(NCc2cn(C)nc2OC)cc[nH+]1 ZINC000897242206 583901296 /nfs/dbraw/zinc/90/12/96/583901296.db2.gz JTTQNYSHNDODEX-UHFFFAOYSA-N 1 2 247.302 1.393 20 0 BDADLO COc1cc(NCCc2ccc[nH+]c2C)ncn1 ZINC000897405825 583954727 /nfs/dbraw/zinc/95/47/27/583954727.db2.gz IWUSIQXFOWDJMN-UHFFFAOYSA-N 1 2 244.298 1.843 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccns2)n1 ZINC000858212943 588938880 /nfs/dbraw/zinc/93/88/80/588938880.db2.gz ZMSOGRLUVLNPDC-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2COC[C@H]2C2CC2)[nH+]1 ZINC000897449572 583987100 /nfs/dbraw/zinc/98/71/00/583987100.db2.gz ANFNVOZXKTWVMQ-XHVZSJERSA-N 1 2 248.326 1.972 20 0 BDADLO C[C@H](CC(=O)NC1=[NH+]CCS1)n1cccc1 ZINC000729284085 583989269 /nfs/dbraw/zinc/98/92/69/583989269.db2.gz UBTHLLXGGHAXEB-SECBINFHSA-N 1 2 237.328 1.658 20 0 BDADLO C[C@H](O)c1cccc(N[C@H]2C[C@@H](CO)C2)[nH+]1 ZINC000864091340 584001324 /nfs/dbraw/zinc/00/13/24/584001324.db2.gz BMECWQCIXUXHGZ-LPEHRKFASA-N 1 2 222.288 1.318 20 0 BDADLO Cn1nccc1[C@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000897558318 584018351 /nfs/dbraw/zinc/01/83/51/584018351.db2.gz YBQDKDYQFSUXKO-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1nccc1[C@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000897558318 584018352 /nfs/dbraw/zinc/01/83/52/584018352.db2.gz YBQDKDYQFSUXKO-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO Clc1cc2c(nc[nH+]c2N[C@@H]2CCOC2)[nH]1 ZINC000865637012 584025237 /nfs/dbraw/zinc/02/52/37/584025237.db2.gz STNIUEZKOAGDMS-ZCFIWIBFSA-N 1 2 238.678 1.234 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1c[nH]nc1Cl ZINC000897646873 584034319 /nfs/dbraw/zinc/03/43/19/584034319.db2.gz FOSQBLBFUPUCOA-MRVPVSSYSA-N 1 2 242.710 1.486 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1c[nH]nc1Cl ZINC000897646873 584034320 /nfs/dbraw/zinc/03/43/20/584034320.db2.gz FOSQBLBFUPUCOA-MRVPVSSYSA-N 1 2 242.710 1.486 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)nn1C ZINC000897678376 584036098 /nfs/dbraw/zinc/03/60/98/584036098.db2.gz ATCGGCLYGAYPRD-XCBNKYQSSA-N 1 2 243.738 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)nn1C ZINC000897678376 584036100 /nfs/dbraw/zinc/03/61/00/584036100.db2.gz ATCGGCLYGAYPRD-XCBNKYQSSA-N 1 2 243.738 1.195 20 0 BDADLO CCc1nc(OC)ccc1NCc1c[nH+]c[nH]1 ZINC000897711250 584042076 /nfs/dbraw/zinc/04/20/76/584042076.db2.gz JCRAPHPTOCADJW-UHFFFAOYSA-N 1 2 232.287 1.988 20 0 BDADLO CCc1nc(OC)ccc1NCc1c[nH]c[nH+]1 ZINC000897711250 584042078 /nfs/dbraw/zinc/04/20/78/584042078.db2.gz JCRAPHPTOCADJW-UHFFFAOYSA-N 1 2 232.287 1.988 20 0 BDADLO Cc1cccc(C[NH+]2CC3(C2)CCNC(=O)O3)c1 ZINC000897752583 584043833 /nfs/dbraw/zinc/04/38/33/584043833.db2.gz IWTPMIZQPXKFTP-UHFFFAOYSA-N 1 2 246.310 1.679 20 0 BDADLO Cc1cnccc1C[NH+]1CC2(C1)CCNC(=O)O2 ZINC000897751790 584044078 /nfs/dbraw/zinc/04/40/78/584044078.db2.gz UYUIOVCOAXSJAZ-UHFFFAOYSA-N 1 2 247.298 1.074 20 0 BDADLO CCc1nocc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897783626 584048418 /nfs/dbraw/zinc/04/84/18/584048418.db2.gz FVFFABHCNPZDGL-UHFFFAOYSA-N 1 2 249.314 1.044 20 0 BDADLO CCC[C@@H]([NH2+][C@@H]1CC[C@@H]1SC)C(=O)OC ZINC000897833881 584052830 /nfs/dbraw/zinc/05/28/30/584052830.db2.gz BJTLQCVVPPHBNK-BBBLOLIVSA-N 1 2 231.361 1.812 20 0 BDADLO COC1(C(F)(F)F)CN(Cc2[nH]cc(C)[nH+]2)C1 ZINC000897879836 584057401 /nfs/dbraw/zinc/05/74/01/584057401.db2.gz KGBGCVIANYLKPL-UHFFFAOYSA-N 1 2 249.236 1.481 20 0 BDADLO CO[C@H](C[NH2+]C1(c2nc(C)no2)CC1)C1CC1 ZINC000897896428 584058406 /nfs/dbraw/zinc/05/84/06/584058406.db2.gz XDANERZAAQDVCM-SNVBAGLBSA-N 1 2 237.303 1.382 20 0 BDADLO COC(=O)c1occc1CNCc1cn(C)c[nH+]1 ZINC000898044687 584073183 /nfs/dbraw/zinc/07/31/83/584073183.db2.gz ADZNZRGALYUVBP-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO Cc1cn(C(C)(C)C(=O)Nc2conc2C)c[nH+]1 ZINC000898132353 584084887 /nfs/dbraw/zinc/08/48/87/584084887.db2.gz HJAMNUZGAOGZQU-UHFFFAOYSA-N 1 2 248.286 1.862 20 0 BDADLO Cc1coc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000898098627 584085454 /nfs/dbraw/zinc/08/54/54/584085454.db2.gz BEGBSNYSDRGDEL-SNVBAGLBSA-N 1 2 245.282 1.529 20 0 BDADLO Cc1cc(C[NH+]2CC(Cc3ccoc3)C2)nn1C ZINC000898160321 584087570 /nfs/dbraw/zinc/08/75/70/584087570.db2.gz ZJNCUQMOAMZYDN-UHFFFAOYSA-N 1 2 245.326 1.996 20 0 BDADLO Cn1ccnc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160744 584088514 /nfs/dbraw/zinc/08/85/14/584088514.db2.gz RSPZVEPVPOLIOT-UHFFFAOYSA-N 1 2 231.299 1.688 20 0 BDADLO Cn1cc[nH+]c1CN1CC(Cc2ccoc2)C1 ZINC000898160744 584088516 /nfs/dbraw/zinc/08/85/16/584088516.db2.gz RSPZVEPVPOLIOT-UHFFFAOYSA-N 1 2 231.299 1.688 20 0 BDADLO CC(C)n1c[nH+]cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898187072 584094046 /nfs/dbraw/zinc/09/40/46/584094046.db2.gz CRPURJXSJOXCLL-VXGBXAGGSA-N 1 2 241.310 1.369 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)sn1 ZINC000898189373 584094910 /nfs/dbraw/zinc/09/49/10/584094910.db2.gz ZQEFPRFHHVKKQJ-VHSXEESVSA-N 1 2 230.308 1.356 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)sn1 ZINC000898189373 584094911 /nfs/dbraw/zinc/09/49/11/584094911.db2.gz ZQEFPRFHHVKKQJ-VHSXEESVSA-N 1 2 230.308 1.356 20 0 BDADLO O[C@@H]1CC[N@H+](Cc2cnn3ccccc23)C[C@H]1F ZINC000898194363 584095901 /nfs/dbraw/zinc/09/59/01/584095901.db2.gz YDOBTNWGDSMLGQ-DGCLKSJQSA-N 1 2 249.289 1.239 20 0 BDADLO O[C@@H]1CC[N@@H+](Cc2cnn3ccccc23)C[C@H]1F ZINC000898194363 584095902 /nfs/dbraw/zinc/09/59/02/584095902.db2.gz YDOBTNWGDSMLGQ-DGCLKSJQSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1ccoc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898194222 584095958 /nfs/dbraw/zinc/09/59/58/584095958.db2.gz WHVOBJYDZYNOEW-VHSXEESVSA-N 1 2 213.252 1.493 20 0 BDADLO Cc1ccoc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898194222 584095960 /nfs/dbraw/zinc/09/59/60/584095960.db2.gz WHVOBJYDZYNOEW-VHSXEESVSA-N 1 2 213.252 1.493 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000898252354 584101259 /nfs/dbraw/zinc/10/12/59/584101259.db2.gz BPFLBNACOHKDLH-ADEWGFFLSA-N 1 2 248.330 1.408 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000898260506 584103037 /nfs/dbraw/zinc/10/30/37/584103037.db2.gz GEUHALJTOLTSTH-ZMLRMANQSA-N 1 2 248.330 1.740 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000898260506 584103038 /nfs/dbraw/zinc/10/30/38/584103038.db2.gz GEUHALJTOLTSTH-ZMLRMANQSA-N 1 2 248.330 1.740 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[C@H]2CO)c(C)[nH+]1 ZINC000889164598 584112024 /nfs/dbraw/zinc/11/20/24/584112024.db2.gz IPFFJRGXLSACDL-NSHDSACASA-N 1 2 234.299 1.214 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC[C@@H]2CO)c(C)[nH+]1 ZINC000889164597 584112363 /nfs/dbraw/zinc/11/23/63/584112363.db2.gz IPFFJRGXLSACDL-LLVKDONJSA-N 1 2 234.299 1.214 20 0 BDADLO Cc1cn2c([nH+]1)CN(c1nccnc1F)CC2 ZINC000858479145 588959380 /nfs/dbraw/zinc/95/93/80/588959380.db2.gz JHRNDRHPKWVVRH-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898486170 584139402 /nfs/dbraw/zinc/13/94/02/584139402.db2.gz ROKXGMPULIPZCD-GFCCVEGCSA-N 1 2 244.354 1.973 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898486170 584139404 /nfs/dbraw/zinc/13/94/04/584139404.db2.gz ROKXGMPULIPZCD-GFCCVEGCSA-N 1 2 244.354 1.973 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)C1CC1 ZINC000898494196 584140354 /nfs/dbraw/zinc/14/03/54/584140354.db2.gz HNVZNTRZHKUOBP-PWSUYJOCSA-N 1 2 242.338 1.583 20 0 BDADLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)C1CC1 ZINC000898494196 584140355 /nfs/dbraw/zinc/14/03/55/584140355.db2.gz HNVZNTRZHKUOBP-PWSUYJOCSA-N 1 2 242.338 1.583 20 0 BDADLO Cc1n[nH]nc1NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000898745401 584156537 /nfs/dbraw/zinc/15/65/37/584156537.db2.gz QZXUKPPSGGLLGF-SNVBAGLBSA-N 1 2 249.318 1.069 20 0 BDADLO Cc1n[nH]nc1NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000898745401 584156539 /nfs/dbraw/zinc/15/65/39/584156539.db2.gz QZXUKPPSGGLLGF-SNVBAGLBSA-N 1 2 249.318 1.069 20 0 BDADLO CCC(C)(C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883085 584163870 /nfs/dbraw/zinc/16/38/70/584163870.db2.gz CEUSGKAIVFXFPC-SECBINFHSA-N 1 2 239.319 1.006 20 0 BDADLO CC(C)(CNC(=O)CCC(F)F)n1cc[nH+]c1 ZINC000898906106 584164991 /nfs/dbraw/zinc/16/49/91/584164991.db2.gz AMVXEIJYXUYKGN-UHFFFAOYSA-N 1 2 245.273 1.780 20 0 BDADLO CS[C@H](C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899034 584165280 /nfs/dbraw/zinc/16/52/80/584165280.db2.gz BZPOCSWESLRLME-SECBINFHSA-N 1 2 241.360 1.486 20 0 BDADLO C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)C1CC1 ZINC000898904355 584165553 /nfs/dbraw/zinc/16/55/53/584165553.db2.gz UTLVGRJROGJKME-SNVBAGLBSA-N 1 2 235.331 1.781 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)NC1CCC=CCC1 ZINC000899804724 584239899 /nfs/dbraw/zinc/23/98/99/584239899.db2.gz XVDDJNAGACUBRF-UHFFFAOYSA-N 1 2 247.342 1.968 20 0 BDADLO Cc1[nH]c(C(=O)NC2CCC=CCC2)c[nH+]1 ZINC000899804520 584239946 /nfs/dbraw/zinc/23/99/46/584239946.db2.gz PBBYRFMLHUDRBS-UHFFFAOYSA-N 1 2 219.288 1.947 20 0 BDADLO CC(C)OC1C[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC000899901258 584250133 /nfs/dbraw/zinc/25/01/33/584250133.db2.gz HFSNCMJYMYBABB-MRVPVSSYSA-N 1 2 241.253 1.409 20 0 BDADLO C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000899936929 584258599 /nfs/dbraw/zinc/25/85/99/584258599.db2.gz JXNHBEMYVMRGLG-SECBINFHSA-N 1 2 207.277 1.353 20 0 BDADLO CN(Cc1cccs1)C(=O)Cc1c[nH+]c[nH]1 ZINC000899952038 584259822 /nfs/dbraw/zinc/25/98/22/584259822.db2.gz PTPIIBDAWJMYMY-UHFFFAOYSA-N 1 2 235.312 1.672 20 0 BDADLO Cc1csc(CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC000900100192 584273396 /nfs/dbraw/zinc/27/33/96/584273396.db2.gz ZVPZJXGJKBWDTQ-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1csc(CNC(=O)Cc2c[nH+]c[nH]2)n1 ZINC000900100192 584273398 /nfs/dbraw/zinc/27/33/98/584273398.db2.gz ZVPZJXGJKBWDTQ-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO CC(C)CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900120302 584274708 /nfs/dbraw/zinc/27/47/08/584274708.db2.gz VROGEXGMYZLEGS-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO CCCN(CC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000900425864 584307549 /nfs/dbraw/zinc/30/75/49/584307549.db2.gz VSTWSLLJXFBWDO-UHFFFAOYSA-N 1 2 249.236 1.753 20 0 BDADLO O=C(CCF)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000900446392 584311043 /nfs/dbraw/zinc/31/10/43/584311043.db2.gz MIPGQCVTAYYRCR-SECBINFHSA-N 1 2 225.267 1.823 20 0 BDADLO O=C(CCF)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000900446393 584311124 /nfs/dbraw/zinc/31/11/24/584311124.db2.gz MIPGQCVTAYYRCR-VIFPVBQESA-N 1 2 225.267 1.823 20 0 BDADLO COCc1cn(Cc2cc(OC)cc(C)[nH+]2)nn1 ZINC000900570579 584326648 /nfs/dbraw/zinc/32/66/48/584326648.db2.gz MJQPSPPRSMXSDR-UHFFFAOYSA-N 1 2 248.286 1.185 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900592673 584329448 /nfs/dbraw/zinc/32/94/48/584329448.db2.gz LBFQVXUACZCOQH-SCZZXKLOSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900592673 584329450 /nfs/dbraw/zinc/32/94/50/584329450.db2.gz LBFQVXUACZCOQH-SCZZXKLOSA-N 1 2 207.277 1.257 20 0 BDADLO O=C(CC1COC1)Nc1ccc2[nH+]ccn2c1 ZINC000900670444 584339591 /nfs/dbraw/zinc/33/95/91/584339591.db2.gz HUNZFARJNKOHMO-UHFFFAOYSA-N 1 2 231.255 1.309 20 0 BDADLO C[C@@]1(CNC(=O)CNc2cccc[nH+]2)CCOC1 ZINC000900701647 584342807 /nfs/dbraw/zinc/34/28/07/584342807.db2.gz ZSYVAHNHXBCVAI-ZDUSSCGKSA-N 1 2 249.314 1.036 20 0 BDADLO CCCC[C@H](COC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900761637 584346721 /nfs/dbraw/zinc/34/67/21/584346721.db2.gz VBCIRXISRLBKFX-SNVBAGLBSA-N 1 2 239.319 1.274 20 0 BDADLO CCCC[C@H](COC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900761637 584346722 /nfs/dbraw/zinc/34/67/22/584346722.db2.gz VBCIRXISRLBKFX-SNVBAGLBSA-N 1 2 239.319 1.274 20 0 BDADLO CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900742201 584348298 /nfs/dbraw/zinc/34/82/98/584348298.db2.gz FOEOGJPSFDNORA-LLVKDONJSA-N 1 2 235.331 1.991 20 0 BDADLO C/C(Cl)=C\C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000900787716 584351385 /nfs/dbraw/zinc/35/13/85/584351385.db2.gz RJVQAPHSQORLQW-RAJVOEEQSA-N 1 2 241.722 1.778 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000900849466 584357600 /nfs/dbraw/zinc/35/76/00/584357600.db2.gz YUJLXBKGNXTYHO-JQWIXIFHSA-N 1 2 233.315 1.743 20 0 BDADLO Cc1cnc(CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC000900856311 584358035 /nfs/dbraw/zinc/35/80/35/584358035.db2.gz ZJPKRPXJGZVXQQ-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO Cc1cnc(CNC(=O)Cc2c[nH+]c[nH]2)s1 ZINC000900856311 584358036 /nfs/dbraw/zinc/35/80/36/584358036.db2.gz ZJPKRPXJGZVXQQ-UHFFFAOYSA-N 1 2 236.300 1.034 20 0 BDADLO CN(C(=O)CNc1cccc[nH+]1)C1CCC1 ZINC000900855472 584358123 /nfs/dbraw/zinc/35/81/23/584358123.db2.gz QOMFCXSLKBIAJM-UHFFFAOYSA-N 1 2 219.288 1.504 20 0 BDADLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)S1 ZINC000900865169 584359069 /nfs/dbraw/zinc/35/90/69/584359069.db2.gz CKIGZAUWEPOLCW-IUCAKERBSA-N 1 2 239.344 1.305 20 0 BDADLO CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900909307 584365101 /nfs/dbraw/zinc/36/51/01/584365101.db2.gz QHJVZCJMUQFTJW-MWLCHTKSSA-N 1 2 221.304 1.599 20 0 BDADLO CCC[C@](C)(O)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996619 584375000 /nfs/dbraw/zinc/37/50/00/584375000.db2.gz HBZXIZMYUQUDAV-LBPRGKRZSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CCC=CO2)[nH+]c1C ZINC000900996205 584375239 /nfs/dbraw/zinc/37/52/39/584375239.db2.gz DZODBIGFEHCORS-SNVBAGLBSA-N 1 2 235.287 1.335 20 0 BDADLO CC(C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000901181019 584392350 /nfs/dbraw/zinc/39/23/50/584392350.db2.gz ZGKNHOMSVMVMPQ-VIFPVBQESA-N 1 2 209.293 1.503 20 0 BDADLO CC(C)C[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000901181019 584392351 /nfs/dbraw/zinc/39/23/51/584392351.db2.gz ZGKNHOMSVMVMPQ-VIFPVBQESA-N 1 2 209.293 1.503 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000901241337 584406912 /nfs/dbraw/zinc/40/69/12/584406912.db2.gz LVYZDZHLRHQOSX-QMMMGPOBSA-N 1 2 218.260 1.158 20 0 BDADLO C[C@H](NC(=O)Cc1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000901241337 584406915 /nfs/dbraw/zinc/40/69/15/584406915.db2.gz LVYZDZHLRHQOSX-QMMMGPOBSA-N 1 2 218.260 1.158 20 0 BDADLO Cc1cc(N)nc(SCC(=O)[C@H]2C[C@H]2C)[nH+]1 ZINC000901415201 584441182 /nfs/dbraw/zinc/44/11/82/584441182.db2.gz GAQALRALCIGKLG-SVRRBLITSA-N 1 2 237.328 1.684 20 0 BDADLO O=C1OCCN1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000902068628 584519168 /nfs/dbraw/zinc/51/91/68/584519168.db2.gz VWQTVBNCJQYPMP-LBPRGKRZSA-N 1 2 247.298 1.628 20 0 BDADLO O=C1OCCN1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000902068628 584519169 /nfs/dbraw/zinc/51/91/69/584519169.db2.gz VWQTVBNCJQYPMP-LBPRGKRZSA-N 1 2 247.298 1.628 20 0 BDADLO Cn1nc2c(c1CNc1cc[nH+]cc1F)CCC2 ZINC000902065001 584522440 /nfs/dbraw/zinc/52/24/40/584522440.db2.gz DMTSTZGJNTYCMS-UHFFFAOYSA-N 1 2 246.289 1.477 20 0 BDADLO CCn1cc(CNc2[nH+]cccc2CO)c(C)n1 ZINC000902146801 584530710 /nfs/dbraw/zinc/53/07/10/584530710.db2.gz GWUYAQHFKKWQLI-UHFFFAOYSA-N 1 2 246.314 1.711 20 0 BDADLO CC[C@@H]1C[C@H]1CO[NH+]=C(N)COC(C)C ZINC000902221851 584540203 /nfs/dbraw/zinc/54/02/03/584540203.db2.gz ULCSSDQKRXLUKD-ZJUUUORDSA-N 1 2 214.309 1.956 20 0 BDADLO CC(C)c1ncc(NCc2c[nH+]cn2C)cn1 ZINC000902246933 584546554 /nfs/dbraw/zinc/54/65/54/584546554.db2.gz JGMYLWJJIHORSE-UHFFFAOYSA-N 1 2 231.303 1.946 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCSC(F)(F)F ZINC000902282223 584547231 /nfs/dbraw/zinc/54/72/31/584547231.db2.gz PHCOPSKBFLLFBV-YFKPBYRVSA-N 1 2 246.254 1.773 20 0 BDADLO C[C@]1(F)CCC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902278376 584550934 /nfs/dbraw/zinc/55/09/34/584550934.db2.gz VBUYNFCVJFFTTR-NHCYSSNCSA-N 1 2 226.295 1.246 20 0 BDADLO C[C@]1(F)CCC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902278376 584550935 /nfs/dbraw/zinc/55/09/35/584550935.db2.gz VBUYNFCVJFFTTR-NHCYSSNCSA-N 1 2 226.295 1.246 20 0 BDADLO CC[C@@H]1C[NH+](CN2CCOC2=O)C[C@@H](CC)O1 ZINC000902300433 584553804 /nfs/dbraw/zinc/55/38/04/584553804.db2.gz MECSJLSQHSVTLG-GHMZBOCLSA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CCOC2=O)[C@@H](CC)CO1 ZINC000902301455 584554016 /nfs/dbraw/zinc/55/40/16/584554016.db2.gz DFWRIEZFRZCEAZ-WDEREUQCSA-N 1 2 242.319 1.286 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CCOC2=O)[C@@H](CC)CO1 ZINC000902301455 584554017 /nfs/dbraw/zinc/55/40/17/584554017.db2.gz DFWRIEZFRZCEAZ-WDEREUQCSA-N 1 2 242.319 1.286 20 0 BDADLO CCn1cnc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000902313346 584555157 /nfs/dbraw/zinc/55/51/57/584555157.db2.gz QOVLTJBLGRGPMM-LLVKDONJSA-N 1 2 245.330 1.273 20 0 BDADLO CCn1c[nH+]c(CNCc2ncccc2F)c1 ZINC000902406294 584574319 /nfs/dbraw/zinc/57/43/19/584574319.db2.gz RJFSOVXNDDVJHU-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO NC(CO)=[NH+]OC[C@@H]1CC2CCC1CC2 ZINC000902536896 584628100 /nfs/dbraw/zinc/62/81/00/584628100.db2.gz RIDZSFDTBFTIBE-RTBKNWGFSA-N 1 2 212.293 1.303 20 0 BDADLO CNc1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000902562438 584634429 /nfs/dbraw/zinc/63/44/29/584634429.db2.gz FMZFCALTVKJNSN-UHFFFAOYSA-N 1 2 231.303 1.147 20 0 BDADLO CCC1(CC)CCN(C[N@@H+]2CC[C@@H]2CO)C1=O ZINC000902634927 584648144 /nfs/dbraw/zinc/64/81/44/584648144.db2.gz WFQDALXHEMUSFF-LLVKDONJSA-N 1 2 240.347 1.049 20 0 BDADLO CCC1(CC)CCN(C[N@H+]2CC[C@@H]2CO)C1=O ZINC000902634927 584648147 /nfs/dbraw/zinc/64/81/47/584648147.db2.gz WFQDALXHEMUSFF-LLVKDONJSA-N 1 2 240.347 1.049 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cncc(O)c2)c1 ZINC000902658794 584650688 /nfs/dbraw/zinc/65/06/88/584650688.db2.gz CQZXPHSYUNKXKN-UHFFFAOYSA-N 1 2 232.287 1.293 20 0 BDADLO CCn1c[nH+]c(CNC2(c3nc(C)no3)CC2)c1 ZINC000902687365 584656272 /nfs/dbraw/zinc/65/62/72/584656272.db2.gz FIACJJUMBLILOB-UHFFFAOYSA-N 1 2 247.302 1.373 20 0 BDADLO COC/C(C)=C\CO[NH+]=C(N)Cc1cccnc1 ZINC000902723769 584660754 /nfs/dbraw/zinc/66/07/54/584660754.db2.gz WZKGFMQMRGRJAN-WZUFQYTHSA-N 1 2 249.314 1.715 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)COC1CCC1 ZINC000902775457 584669351 /nfs/dbraw/zinc/66/93/51/584669351.db2.gz WGUJIRQSNZIGKF-UXBLZVDNSA-N 1 2 242.319 1.647 20 0 BDADLO CC(C)NC(=O)COc1ccc2c(c1)[nH+]cn2C ZINC000902780045 584669745 /nfs/dbraw/zinc/66/97/45/584669745.db2.gz OTHYTDDYYURTQK-UHFFFAOYSA-N 1 2 247.298 1.477 20 0 BDADLO Cn1nc(C[N@H+](C)C[C@H]2CCCO2)cc1Cl ZINC000859078500 588998018 /nfs/dbraw/zinc/99/80/18/588998018.db2.gz BBDPRNUGAUYSAV-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1nc(C[N@@H+](C)C[C@H]2CCCO2)cc1Cl ZINC000859078500 588998021 /nfs/dbraw/zinc/99/80/21/588998021.db2.gz BBDPRNUGAUYSAV-SNVBAGLBSA-N 1 2 243.738 1.684 20 0 BDADLO F[C@H]1CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000902990788 584709653 /nfs/dbraw/zinc/70/96/53/584709653.db2.gz GJDVYEPRPRUGGS-VIFPVBQESA-N 1 2 239.294 1.416 20 0 BDADLO F[C@H]1CCC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000902990788 584709655 /nfs/dbraw/zinc/70/96/55/584709655.db2.gz GJDVYEPRPRUGGS-VIFPVBQESA-N 1 2 239.294 1.416 20 0 BDADLO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C1=O ZINC000902998049 584714915 /nfs/dbraw/zinc/71/49/15/584714915.db2.gz FJTNUWWEFCQORP-WDEREUQCSA-N 1 2 228.311 1.430 20 0 BDADLO CC(C)N1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1=O ZINC000902998049 584714916 /nfs/dbraw/zinc/71/49/16/584714916.db2.gz FJTNUWWEFCQORP-WDEREUQCSA-N 1 2 228.311 1.430 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002033 584716579 /nfs/dbraw/zinc/71/65/79/584716579.db2.gz UOUIJEACDNZGKF-GHMZBOCLSA-N 1 2 230.327 1.677 20 0 BDADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903002033 584716581 /nfs/dbraw/zinc/71/65/81/584716581.db2.gz UOUIJEACDNZGKF-GHMZBOCLSA-N 1 2 230.327 1.677 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000903003512 584716794 /nfs/dbraw/zinc/71/67/94/584716794.db2.gz NNURIKCNLMZKKR-LLVKDONJSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCC[C@@H](F)C1 ZINC000903003512 584716796 /nfs/dbraw/zinc/71/67/96/584716796.db2.gz NNURIKCNLMZKKR-LLVKDONJSA-N 1 2 230.327 1.727 20 0 BDADLO FC1(F)[C@@H]2C[C@@H](CN3CC=CC[NH2+]3)C[C@@H]21 ZINC000903490931 584780841 /nfs/dbraw/zinc/78/08/41/584780841.db2.gz NJZZCJZWVKIGTN-OWUUHHOZSA-N 1 2 214.259 1.654 20 0 BDADLO Cc1noc(NC(=O)/C=C/c2cn(C)c[nH+]2)c1C ZINC000903633439 584788372 /nfs/dbraw/zinc/78/83/72/584788372.db2.gz RPKVWKZPELMOAL-SNAWJCMRSA-N 1 2 246.270 1.677 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000859155337 589010899 /nfs/dbraw/zinc/01/08/99/589010899.db2.gz AFRCWRDMYGLSFS-SECBINFHSA-N 1 2 239.344 1.636 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000859155337 589010900 /nfs/dbraw/zinc/01/09/00/589010900.db2.gz AFRCWRDMYGLSFS-SECBINFHSA-N 1 2 239.344 1.636 20 0 BDADLO COC(=O)C[N@H+](Cc1ccnc(F)c1)C(C)C ZINC000859173981 589013752 /nfs/dbraw/zinc/01/37/52/589013752.db2.gz LPNZPTZJVAGFFE-UHFFFAOYSA-N 1 2 240.278 1.604 20 0 BDADLO COC(=O)C[N@@H+](Cc1ccnc(F)c1)C(C)C ZINC000859173981 589013755 /nfs/dbraw/zinc/01/37/55/589013755.db2.gz LPNZPTZJVAGFFE-UHFFFAOYSA-N 1 2 240.278 1.604 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2OC[C@@H]3CCC[C@@H]32)n1 ZINC000904075235 584839869 /nfs/dbraw/zinc/83/98/69/584839869.db2.gz HSGUNFGYKICIEC-ATZCPNFKSA-N 1 2 237.303 1.667 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1ccc(N)nn1 ZINC000904341539 584867506 /nfs/dbraw/zinc/86/75/06/584867506.db2.gz OJZMDZUQWNUIKE-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1ccc(N)nn1 ZINC000904341539 584867507 /nfs/dbraw/zinc/86/75/07/584867507.db2.gz OJZMDZUQWNUIKE-UHFFFAOYSA-N 1 2 243.314 1.394 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@@H](C2CC2)O1 ZINC000904343923 584867662 /nfs/dbraw/zinc/86/76/62/584867662.db2.gz ZCRGNDDSVMZXET-SKDRFNHKSA-N 1 2 248.330 1.058 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@@H](C2CC2)O1 ZINC000904343923 584867663 /nfs/dbraw/zinc/86/76/63/584867663.db2.gz ZCRGNDDSVMZXET-SKDRFNHKSA-N 1 2 248.330 1.058 20 0 BDADLO Cc1nc(C[NH2+]Cc2ccc(N)nn2)sc1C ZINC000904362615 584872394 /nfs/dbraw/zinc/87/23/94/584872394.db2.gz PGEAUPWEFNWOEW-UHFFFAOYSA-N 1 2 249.343 1.422 20 0 BDADLO Nc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)nn1 ZINC000904371327 584873199 /nfs/dbraw/zinc/87/31/99/584873199.db2.gz MRUKIZJSUAHQOV-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO Nc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)nn1 ZINC000904371327 584873201 /nfs/dbraw/zinc/87/32/01/584873201.db2.gz MRUKIZJSUAHQOV-GFCCVEGCSA-N 1 2 248.330 1.060 20 0 BDADLO Cc1csc([C@H](C)[NH2+]Cc2ccc(N)nn2)n1 ZINC000904366029 584875021 /nfs/dbraw/zinc/87/50/21/584875021.db2.gz CVBGJJVFBIPBSO-QMMMGPOBSA-N 1 2 249.343 1.675 20 0 BDADLO Clc1cscc1C[NH2+][C@H]1CNOC1 ZINC000904425371 584881543 /nfs/dbraw/zinc/88/15/43/584881543.db2.gz KHEHTFRPKYLZOD-ZETCQYMHSA-N 1 2 218.709 1.395 20 0 BDADLO CC[C@@H](C)C(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803496422 584888422 /nfs/dbraw/zinc/88/84/22/584888422.db2.gz CURMSHQSEFIFSB-PWSUYJOCSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)OCCF)c2[nH+]ccn21 ZINC000859179817 589015194 /nfs/dbraw/zinc/01/51/94/589015194.db2.gz ARUDRKPGHNKTOL-SFYZADRCSA-N 1 2 227.239 1.585 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000830468567 584908447 /nfs/dbraw/zinc/90/84/47/584908447.db2.gz KHFHFXIGSXVADG-NXEZZACHSA-N 1 2 239.319 1.777 20 0 BDADLO CC[C@@H](C)N(OC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000830468567 584908448 /nfs/dbraw/zinc/90/84/48/584908448.db2.gz KHFHFXIGSXVADG-NXEZZACHSA-N 1 2 239.319 1.777 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761080480 584908980 /nfs/dbraw/zinc/90/89/80/584908980.db2.gz DKGLNSREOZEFBK-JGVFFNPUSA-N 1 2 211.696 1.668 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761080480 584908981 /nfs/dbraw/zinc/90/89/81/584908981.db2.gz DKGLNSREOZEFBK-JGVFFNPUSA-N 1 2 211.696 1.668 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)on1 ZINC000761097059 584909788 /nfs/dbraw/zinc/90/97/88/584909788.db2.gz RMGVYKNMOFKPAB-LPEHRKFASA-N 1 2 235.287 1.404 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[C@H]32)on1 ZINC000761097059 584909789 /nfs/dbraw/zinc/90/97/89/584909789.db2.gz RMGVYKNMOFKPAB-LPEHRKFASA-N 1 2 235.287 1.404 20 0 BDADLO CCON(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000831462838 584909807 /nfs/dbraw/zinc/90/98/07/584909807.db2.gz MMAULHDCVWBPNB-UHFFFAOYSA-N 1 2 211.265 1.142 20 0 BDADLO CCON(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000831462838 584909808 /nfs/dbraw/zinc/90/98/08/584909808.db2.gz MMAULHDCVWBPNB-UHFFFAOYSA-N 1 2 211.265 1.142 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccnc(N(C)C)c2)[C@H]1C ZINC000754096703 584912997 /nfs/dbraw/zinc/91/29/97/584912997.db2.gz CXRWTBRENWUFHB-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccnc(N(C)C)c2)[C@H]1C ZINC000754096703 584912998 /nfs/dbraw/zinc/91/29/98/584912998.db2.gz CXRWTBRENWUFHB-NWDGAFQWSA-N 1 2 249.358 1.757 20 0 BDADLO C/C=C\C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000731689468 584928145 /nfs/dbraw/zinc/92/81/45/584928145.db2.gz IZKLCVFVAXMJHT-HYXAFXHYSA-N 1 2 229.283 1.835 20 0 BDADLO CCc1noc(-c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000731792890 584928947 /nfs/dbraw/zinc/92/89/47/584928947.db2.gz BRXORMDKYAPZDB-UHFFFAOYSA-N 1 2 241.254 1.880 20 0 BDADLO c1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)on1 ZINC000731850093 584929609 /nfs/dbraw/zinc/92/96/09/584929609.db2.gz ODTAAUSOIJVRLZ-LLVKDONJSA-N 1 2 238.287 1.402 20 0 BDADLO c1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)on1 ZINC000731850093 584929610 /nfs/dbraw/zinc/92/96/10/584929610.db2.gz ODTAAUSOIJVRLZ-LLVKDONJSA-N 1 2 238.287 1.402 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)Nc1ccc(C2CC2)cn1 ZINC000888280626 584936981 /nfs/dbraw/zinc/93/69/81/584936981.db2.gz WNRGMQVHMGGUJK-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(C2CC2)cn1 ZINC000888280626 584936982 /nfs/dbraw/zinc/93/69/82/584936982.db2.gz WNRGMQVHMGGUJK-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO O=C1OCC[C@H]1[NH+]1CCC(C(F)F)CC1 ZINC000766191744 584940021 /nfs/dbraw/zinc/94/00/21/584940021.db2.gz WDZKIXBUIZEVQX-MRVPVSSYSA-N 1 2 219.231 1.279 20 0 BDADLO CO[C@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733967458 584955962 /nfs/dbraw/zinc/95/59/62/584955962.db2.gz MHTATGHIVOUPFW-SECBINFHSA-N 1 2 233.271 1.698 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1=COCC1 ZINC000734127905 584958838 /nfs/dbraw/zinc/95/88/38/584958838.db2.gz IGDZKHBAXQYDNI-UHFFFAOYSA-N 1 2 229.239 1.577 20 0 BDADLO Cc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)o1 ZINC000788079534 585018651 /nfs/dbraw/zinc/01/86/51/585018651.db2.gz DFZGTARKMKOFBI-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO Cc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)o1 ZINC000788079534 585018652 /nfs/dbraw/zinc/01/86/52/585018652.db2.gz DFZGTARKMKOFBI-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890099814 585022877 /nfs/dbraw/zinc/02/28/77/585022877.db2.gz KOFIARUWNQZYIB-SASUGWTJSA-N 1 2 233.315 1.328 20 0 BDADLO Cc1cccc(CC(=O)NCc2cn(C)c[nH+]2)c1 ZINC000890114549 585024121 /nfs/dbraw/zinc/02/41/21/585024121.db2.gz PJHQYTJATKQOHO-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@H](F)C2)c1 ZINC000824145371 585028744 /nfs/dbraw/zinc/02/87/44/585028744.db2.gz FTMSKGYJNIBNRJ-YEZKRMTDSA-N 1 2 237.278 1.394 20 0 BDADLO CCCSCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788084530 585038637 /nfs/dbraw/zinc/03/86/37/585038637.db2.gz SAJNRPNTAHSBKF-SNVBAGLBSA-N 1 2 249.351 1.717 20 0 BDADLO CCCSCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788084530 585038638 /nfs/dbraw/zinc/03/86/38/585038638.db2.gz SAJNRPNTAHSBKF-SNVBAGLBSA-N 1 2 249.351 1.717 20 0 BDADLO COC[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000739918377 585085724 /nfs/dbraw/zinc/08/57/24/585085724.db2.gz FNXCNJFJQVGVET-ZETCQYMHSA-N 1 2 229.217 1.855 20 0 BDADLO COC[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000739918377 585085725 /nfs/dbraw/zinc/08/57/25/585085725.db2.gz FNXCNJFJQVGVET-ZETCQYMHSA-N 1 2 229.217 1.855 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2[nH]nc3ccccc32)C1 ZINC000839132939 585093957 /nfs/dbraw/zinc/09/39/57/585093957.db2.gz NNQOAIHWEJDPTG-UHFFFAOYSA-N 1 2 245.326 1.766 20 0 BDADLO CC(C)C1(O)C[NH+](Cc2n[nH]c3ccccc32)C1 ZINC000839132939 585093958 /nfs/dbraw/zinc/09/39/58/585093958.db2.gz NNQOAIHWEJDPTG-UHFFFAOYSA-N 1 2 245.326 1.766 20 0 BDADLO CCC1(CC)C[NH+](Cc2cnn(C)n2)C1 ZINC000839133332 585094026 /nfs/dbraw/zinc/09/40/26/585094026.db2.gz ZWXBKGZIIABGHN-UHFFFAOYSA-N 1 2 208.309 1.437 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(C)(COC)C2)n1 ZINC000839142779 585094933 /nfs/dbraw/zinc/09/49/33/585094933.db2.gz ADGZEMPCIAIGTL-UHFFFAOYSA-N 1 2 238.335 1.075 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839191719 585097436 /nfs/dbraw/zinc/09/74/36/585097436.db2.gz DXDAJIVOWVFTHD-NEPJUHHUSA-N 1 2 241.331 1.296 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839191719 585097437 /nfs/dbraw/zinc/09/74/37/585097437.db2.gz DXDAJIVOWVFTHD-NEPJUHHUSA-N 1 2 241.331 1.296 20 0 BDADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ncc(C(C)C)o1 ZINC000839199114 585099237 /nfs/dbraw/zinc/09/92/37/585099237.db2.gz KHXHCCXPOPTTFR-GXSJLCMTSA-N 1 2 240.303 1.301 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000741031259 585109600 /nfs/dbraw/zinc/10/96/00/585109600.db2.gz OAZPEGMHSXDXAH-CMPLNLGQSA-N 1 2 241.331 1.772 20 0 BDADLO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000741245252 585111582 /nfs/dbraw/zinc/11/15/82/585111582.db2.gz FNBMVRPWPXVOPM-VXGBXAGGSA-N 1 2 239.315 1.359 20 0 BDADLO CCOC(=O)[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000741245252 585111583 /nfs/dbraw/zinc/11/15/83/585111583.db2.gz FNBMVRPWPXVOPM-VXGBXAGGSA-N 1 2 239.315 1.359 20 0 BDADLO Cc1nonc1C[N@H+](CCCCO)C1CC1 ZINC000741254138 585111586 /nfs/dbraw/zinc/11/15/86/585111586.db2.gz ZWYPUZMQMJFBFY-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1nonc1C[N@@H+](CCCCO)C1CC1 ZINC000741254138 585111587 /nfs/dbraw/zinc/11/15/87/585111587.db2.gz ZWYPUZMQMJFBFY-UHFFFAOYSA-N 1 2 225.292 1.115 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@H+](C)[C@H](C)C2)s1 ZINC000742194550 585122754 /nfs/dbraw/zinc/12/27/54/585122754.db2.gz HAURAXCIFZBDIY-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO Cc1ncc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000742194550 585122755 /nfs/dbraw/zinc/12/27/55/585122755.db2.gz HAURAXCIFZBDIY-MRVPVSSYSA-N 1 2 239.344 1.228 20 0 BDADLO ClC1(Cl)C[C@@H]1C[NH+]1CCN(C2CC2)CC1 ZINC000743279403 585134133 /nfs/dbraw/zinc/13/41/33/585134133.db2.gz ZCAAPUZXWSCGIP-SECBINFHSA-N 1 2 249.185 1.960 20 0 BDADLO C[C@H]1COCC[N@H+](Cc2cnns2)C1 ZINC000859207616 589019077 /nfs/dbraw/zinc/01/90/77/589019077.db2.gz UNOOGZOTBGHDFQ-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO C[C@H]1COCC[N@@H+](Cc2cnns2)C1 ZINC000859207616 589019080 /nfs/dbraw/zinc/01/90/80/589019080.db2.gz UNOOGZOTBGHDFQ-MRVPVSSYSA-N 1 2 213.306 1.006 20 0 BDADLO O=C(OCCF)c1ccc2[nH+]ccn2c1 ZINC000744998136 585155051 /nfs/dbraw/zinc/15/50/51/585155051.db2.gz ZSTAUICSBRATFL-UHFFFAOYSA-N 1 2 208.192 1.461 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCCC1=O ZINC000745080646 585156265 /nfs/dbraw/zinc/15/62/65/585156265.db2.gz WZHRGJMSXWORLK-PWSUYJOCSA-N 1 2 239.315 1.526 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCCC1=O ZINC000745080646 585156266 /nfs/dbraw/zinc/15/62/66/585156266.db2.gz WZHRGJMSXWORLK-PWSUYJOCSA-N 1 2 239.315 1.526 20 0 BDADLO Cc1cc(C[NH+]2CCN(CCF)CC2)on1 ZINC000746499539 585168570 /nfs/dbraw/zinc/16/85/70/585168570.db2.gz JCJNBBRIDSEWLW-UHFFFAOYSA-N 1 2 227.283 1.070 20 0 BDADLO CC(C)CCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746470642 585168579 /nfs/dbraw/zinc/16/85/79/585168579.db2.gz SMBVRUYJFUSGDO-INIZCTEOSA-N 1 2 246.420 1.029 20 0 BDADLO COc1ccccc1N1CC[NH+](CCF)CC1 ZINC000746493824 585168584 /nfs/dbraw/zinc/16/85/84/585168584.db2.gz FPOUYXGRWQBZAE-UHFFFAOYSA-N 1 2 238.306 1.787 20 0 BDADLO CC[N@H+](CC(=O)NC)[C@@H](C)c1ccccc1F ZINC000746657360 585171768 /nfs/dbraw/zinc/17/17/68/585171768.db2.gz FLQAUQIGUPXRRZ-JTQLQIEISA-N 1 2 238.306 1.955 20 0 BDADLO CC[N@@H+](CC(=O)NC)[C@@H](C)c1ccccc1F ZINC000746657360 585171769 /nfs/dbraw/zinc/17/17/69/585171769.db2.gz FLQAUQIGUPXRRZ-JTQLQIEISA-N 1 2 238.306 1.955 20 0 BDADLO FC(F)CN1CC[NH+](C/C=C\Cl)CC1 ZINC000747113503 585175042 /nfs/dbraw/zinc/17/50/42/585175042.db2.gz ZLSOSACLYBRKRS-UPHRSURJSA-N 1 2 224.682 1.622 20 0 BDADLO CC[C@@H](SC)C(=O)OCc1c[nH+]cn1C ZINC000747248772 585177170 /nfs/dbraw/zinc/17/71/70/585177170.db2.gz JNPVUMDTOUTMLW-SECBINFHSA-N 1 2 228.317 1.605 20 0 BDADLO O=C(Nc1cn[nH]c1)c1cccc2[nH+]ccn21 ZINC000747651034 585181844 /nfs/dbraw/zinc/18/18/44/585181844.db2.gz MAXZETXLWMFDJO-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO O=C(CCC1CC1)OCC[NH+]1CCOCC1 ZINC000747702509 585182387 /nfs/dbraw/zinc/18/23/87/585182387.db2.gz JHOJXQQJMXURQZ-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO COc1cccc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000747779146 585184211 /nfs/dbraw/zinc/18/42/11/585184211.db2.gz DAYLNIJZEKVRNK-UHFFFAOYSA-N 1 2 246.266 1.786 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ccccc1 ZINC000747781361 585184248 /nfs/dbraw/zinc/18/42/48/585184248.db2.gz KDBDVOOVSGZHIZ-UHFFFAOYSA-N 1 2 216.240 1.777 20 0 BDADLO Cn1cccc1C(=O)OCc1c[nH+]cn1C ZINC000747784532 585184335 /nfs/dbraw/zinc/18/43/35/585184335.db2.gz XUWYJZINAJKNAI-UHFFFAOYSA-N 1 2 219.244 1.116 20 0 BDADLO CCc1ocnc1C(=O)OCc1c[nH+]cn1C ZINC000747780746 585184389 /nfs/dbraw/zinc/18/43/89/585184389.db2.gz IFQRLSYODSCGNX-UHFFFAOYSA-N 1 2 235.243 1.328 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OC[C@@H]1CCOC1 ZINC000747821671 585184849 /nfs/dbraw/zinc/18/48/49/585184849.db2.gz HDOSCCUCVNEEDN-LLVKDONJSA-N 1 2 234.299 1.878 20 0 BDADLO NC(Cc1cccs1)=[NH+]OC[C@@H]1CCOC1 ZINC000747836084 585185065 /nfs/dbraw/zinc/18/50/65/585185065.db2.gz QUJHCCHCRPNKOV-SECBINFHSA-N 1 2 240.328 1.826 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000748321570 585190849 /nfs/dbraw/zinc/19/08/49/585190849.db2.gz GFRLCPUDRNEWCP-QMMMGPOBSA-N 1 2 207.277 1.462 20 0 BDADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000748321570 585190850 /nfs/dbraw/zinc/19/08/50/585190850.db2.gz GFRLCPUDRNEWCP-QMMMGPOBSA-N 1 2 207.277 1.462 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1scnc1Cl ZINC000748322124 585190865 /nfs/dbraw/zinc/19/08/65/585190865.db2.gz LHBJAJRUUJBGPA-UHFFFAOYSA-N 1 2 242.691 1.450 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1scnc1Cl ZINC000748322124 585190866 /nfs/dbraw/zinc/19/08/66/585190866.db2.gz LHBJAJRUUJBGPA-UHFFFAOYSA-N 1 2 242.691 1.450 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)C1CC1 ZINC000748407038 585192504 /nfs/dbraw/zinc/19/25/04/585192504.db2.gz YGMGBSVMQHUJMB-QMMMGPOBSA-N 1 2 221.304 1.771 20 0 BDADLO CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC000748625209 585194583 /nfs/dbraw/zinc/19/45/83/585194583.db2.gz BXDDEEOVPILPNY-UHFFFAOYSA-N 1 2 223.320 1.920 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCOC[C@H]1C ZINC000749510746 585203132 /nfs/dbraw/zinc/20/31/32/585203132.db2.gz KULRJIUCDVFBBE-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCCOC[C@H]1C ZINC000749510746 585203133 /nfs/dbraw/zinc/20/31/33/585203133.db2.gz KULRJIUCDVFBBE-VXGBXAGGSA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@H](C)NC(=S)NCCCn1cc[nH+]c1 ZINC000749757008 585205448 /nfs/dbraw/zinc/20/54/48/585205448.db2.gz LQMWTCGIJCSYOI-JTQLQIEISA-N 1 2 240.376 1.536 20 0 BDADLO C/C=C(/C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000751196073 585225593 /nfs/dbraw/zinc/22/55/93/585225593.db2.gz YPJZOWXPOAYJCK-KMKOMSMNSA-N 1 2 229.283 1.917 20 0 BDADLO CC(C)=C(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000751379686 585228447 /nfs/dbraw/zinc/22/84/47/585228447.db2.gz IYQRUKMBBFVTEL-UHFFFAOYSA-N 1 2 207.277 1.425 20 0 BDADLO C/C=C(\C)C(=O)NCCCCn1cc[nH+]c1 ZINC000751383270 585228955 /nfs/dbraw/zinc/22/89/55/585228955.db2.gz RHPUFJGJACVYJE-QDEBKDIKSA-N 1 2 221.304 1.746 20 0 BDADLO CS/C=C\C(=O)Nc1ccc[nH+]c1N(C)C ZINC000751564054 585232785 /nfs/dbraw/zinc/23/27/85/585232785.db2.gz TZROAZHXPDKTHE-VURMDHGXSA-N 1 2 237.328 1.963 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cn1ncn(C)c1=S ZINC000751948730 585239357 /nfs/dbraw/zinc/23/93/57/585239357.db2.gz FGCHDJKFTYWIIL-SECBINFHSA-N 1 2 242.348 1.019 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cn1ncn(C)c1=S ZINC000751948730 585239358 /nfs/dbraw/zinc/23/93/58/585239358.db2.gz FGCHDJKFTYWIIL-SECBINFHSA-N 1 2 242.348 1.019 20 0 BDADLO COc1ncc(Cn2cc[nH+]c2)cc1Cl ZINC000752008246 585240675 /nfs/dbraw/zinc/24/06/75/585240675.db2.gz RFJYYSOSIMFJLZ-UHFFFAOYSA-N 1 2 223.663 1.988 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1cncn1C ZINC000753118691 585253741 /nfs/dbraw/zinc/25/37/41/585253741.db2.gz TYURFKAULLNGEI-UHFFFAOYSA-N 1 2 244.298 1.775 20 0 BDADLO COCCCONC(=O)c1cccc2[nH+]ccn21 ZINC000805045594 585264413 /nfs/dbraw/zinc/26/44/13/585264413.db2.gz RRURKTKHXJCPIG-UHFFFAOYSA-N 1 2 249.270 1.032 20 0 BDADLO CCC(=O)CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000753686176 585266185 /nfs/dbraw/zinc/26/61/85/585266185.db2.gz TYZDQOZRCJAKFE-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CCOC(=O)C[N@H+](CC)CCC(=O)C(C)(C)C ZINC000753705215 585266497 /nfs/dbraw/zinc/26/64/97/585266497.db2.gz OISUXDIRMQQYQX-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCOC(=O)C[N@@H+](CC)CCC(=O)C(C)(C)C ZINC000753705215 585266498 /nfs/dbraw/zinc/26/64/98/585266498.db2.gz OISUXDIRMQQYQX-UHFFFAOYSA-N 1 2 243.347 1.877 20 0 BDADLO CCC(=O)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000753770576 585268352 /nfs/dbraw/zinc/26/83/52/585268352.db2.gz KFGWVNGPAWRQRT-UWVGGRQHSA-N 1 2 231.361 1.197 20 0 BDADLO CC[C@H](C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896087 585271893 /nfs/dbraw/zinc/27/18/93/585271893.db2.gz ZNODCWUALQNNOE-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO CC[C@H](C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753896087 585271894 /nfs/dbraw/zinc/27/18/94/585271894.db2.gz ZNODCWUALQNNOE-SDDRHHMPSA-N 1 2 241.331 1.439 20 0 BDADLO C[C@@H]1COCC[N@H+](CN2CCSC2=O)C1 ZINC000753987731 585274126 /nfs/dbraw/zinc/27/41/26/585274126.db2.gz UDPUFUGYIDHVHX-VIFPVBQESA-N 1 2 230.333 1.081 20 0 BDADLO C[C@@H]1COCC[N@@H+](CN2CCSC2=O)C1 ZINC000753987731 585274127 /nfs/dbraw/zinc/27/41/27/585274127.db2.gz UDPUFUGYIDHVHX-VIFPVBQESA-N 1 2 230.333 1.081 20 0 BDADLO CC1(C)OCC(Nc2cc[nH+]c(C3CC3)n2)CO1 ZINC000754108339 585278614 /nfs/dbraw/zinc/27/86/14/585278614.db2.gz YEHHHDHLZLTOLW-UHFFFAOYSA-N 1 2 249.314 1.917 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000754185976 585279794 /nfs/dbraw/zinc/27/97/94/585279794.db2.gz WZRSIYGZGPZVTL-QWRGUYRKSA-N 1 2 236.315 1.446 20 0 BDADLO CONC(=O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000754185971 585279915 /nfs/dbraw/zinc/27/99/15/585279915.db2.gz WZRSIYGZGPZVTL-MNOVXSKESA-N 1 2 236.315 1.446 20 0 BDADLO CCc1cnc(CO[NH+]=C(N)[C@@H](C)OC)o1 ZINC000754296537 585282259 /nfs/dbraw/zinc/28/22/59/585282259.db2.gz SXSWFYJKLKHVOO-SSDOTTSWSA-N 1 2 227.264 1.270 20 0 BDADLO CC(C)=C(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000754345477 585282726 /nfs/dbraw/zinc/28/27/26/585282726.db2.gz DFLGSAULOSAQIB-UHFFFAOYSA-N 1 2 207.277 1.691 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCCc1ccon1 ZINC000754388918 585283782 /nfs/dbraw/zinc/28/37/82/585283782.db2.gz WYPJIQBUQNSCKS-UHFFFAOYSA-N 1 2 248.286 1.010 20 0 BDADLO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1nc(C)no1 ZINC000754687424 585289320 /nfs/dbraw/zinc/28/93/20/585289320.db2.gz ARSZQBRFKDRHFT-TVSKSKRASA-N 1 2 239.275 1.148 20 0 BDADLO CN(C)c1cc(CSCCO)cc[nH+]1 ZINC000754881518 585291994 /nfs/dbraw/zinc/29/19/94/585291994.db2.gz FKMLFWJAYLVEBN-UHFFFAOYSA-N 1 2 212.318 1.373 20 0 BDADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCF)[C@H]2C1 ZINC000755053642 585293796 /nfs/dbraw/zinc/29/37/96/585293796.db2.gz NKPDOXDHZATUQR-VWYCJHECSA-N 1 2 217.284 1.224 20 0 BDADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCF)[C@H]2C1 ZINC000755053642 585293797 /nfs/dbraw/zinc/29/37/97/585293797.db2.gz NKPDOXDHZATUQR-VWYCJHECSA-N 1 2 217.284 1.224 20 0 BDADLO Cc1ccc(NC(=O)C2(C(N)=O)CCC2)c(C)[nH+]1 ZINC000755774770 585306804 /nfs/dbraw/zinc/30/68/04/585306804.db2.gz LSIKWMLSFMEXOI-UHFFFAOYSA-N 1 2 247.298 1.293 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N2CCCC2)C1 ZINC000755844864 585308560 /nfs/dbraw/zinc/30/85/60/585308560.db2.gz AWHLRMMUEQRIKH-NSHDSACASA-N 1 2 248.330 1.425 20 0 BDADLO Cc1ccnc(COC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000756199067 585315838 /nfs/dbraw/zinc/31/58/38/585315838.db2.gz VQXSCYUBNILHGE-LLVKDONJSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1ccnc(COC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000756199067 585315839 /nfs/dbraw/zinc/31/58/39/585315839.db2.gz VQXSCYUBNILHGE-LLVKDONJSA-N 1 2 249.314 1.313 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(F)(F)C(F)F ZINC000839668400 585334803 /nfs/dbraw/zinc/33/48/03/585334803.db2.gz ATQXXENQZMEZFI-SFYZADRCSA-N 1 2 243.244 1.980 20 0 BDADLO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(F)(F)C(F)F ZINC000839668400 585334804 /nfs/dbraw/zinc/33/48/04/585334804.db2.gz ATQXXENQZMEZFI-SFYZADRCSA-N 1 2 243.244 1.980 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000757706175 585344377 /nfs/dbraw/zinc/34/43/77/585344377.db2.gz VCYVHAFLNMMTBL-QMMMGPOBSA-N 1 2 239.319 1.520 20 0 BDADLO CC(C)OCC(N)=[NH+]OC1CCCC1 ZINC000758759429 585359596 /nfs/dbraw/zinc/35/95/96/585359596.db2.gz ALIQSQLTDTUEQV-UHFFFAOYSA-N 1 2 200.282 1.852 20 0 BDADLO COCCCO[NH+]=C(N)c1ccccc1C ZINC000758769676 585360029 /nfs/dbraw/zinc/36/00/29/585360029.db2.gz RXSMAOSPORQJST-UHFFFAOYSA-N 1 2 222.288 1.878 20 0 BDADLO COC(=O)c1cccc(NCCn2cc[nH+]c2)n1 ZINC000758829262 585360479 /nfs/dbraw/zinc/36/04/79/585360479.db2.gz HGLHRPQVMWWMDL-UHFFFAOYSA-N 1 2 246.270 1.177 20 0 BDADLO CC(C)(C)OC(=O)C1([NH2+]CCO)CCCCC1 ZINC000759240560 585366128 /nfs/dbraw/zinc/36/61/28/585366128.db2.gz SMLDMLDBVYCDPO-UHFFFAOYSA-N 1 2 243.347 1.613 20 0 BDADLO CCCCCC[C@H](O)C[NH+]1CCS(=O)CC1 ZINC000759359475 585370932 /nfs/dbraw/zinc/37/09/32/585370932.db2.gz JALSCFICFWZRPV-LBPRGKRZSA-N 1 2 247.404 1.382 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/c1cccnc1 ZINC000759397047 585372181 /nfs/dbraw/zinc/37/21/81/585372181.db2.gz DTWGESOPJFCLPI-SNAWJCMRSA-N 1 2 243.266 1.572 20 0 BDADLO Cl/C=C(\Cl)C[N@@H+]1CCc2n[nH]nc2C1 ZINC000759549313 585375633 /nfs/dbraw/zinc/37/56/33/585375633.db2.gz IXYPOFZCGFCGDM-UTCJRWHESA-N 1 2 233.102 1.482 20 0 BDADLO Cl/C=C(\Cl)C[N@H+]1CCc2n[nH]nc2C1 ZINC000759549313 585375634 /nfs/dbraw/zinc/37/56/34/585375634.db2.gz IXYPOFZCGFCGDM-UTCJRWHESA-N 1 2 233.102 1.482 20 0 BDADLO Cn1c[nH+]cc1COC(=O)CC1(C)CC1 ZINC000759552624 585375667 /nfs/dbraw/zinc/37/56/67/585375667.db2.gz WEMIRCALBMAHQL-UHFFFAOYSA-N 1 2 208.261 1.654 20 0 BDADLO Cc1cc(NC(=O)NOCC(F)F)cc[nH+]1 ZINC000759995689 585383884 /nfs/dbraw/zinc/38/38/84/585383884.db2.gz SFOVIUYDYTYVGI-UHFFFAOYSA-N 1 2 231.202 1.130 20 0 BDADLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc[nH]1 ZINC000760271592 585388223 /nfs/dbraw/zinc/38/82/23/585388223.db2.gz DUVBMORKKHOXNG-QMMMGPOBSA-N 1 2 242.286 1.865 20 0 BDADLO Cc1nonc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000760886491 585401164 /nfs/dbraw/zinc/40/11/64/585401164.db2.gz AGQBPIBFCPCAJP-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nonc1C[N@H+](C)[C@@H]1CCSC1 ZINC000760886491 585401165 /nfs/dbraw/zinc/40/11/65/585401165.db2.gz AGQBPIBFCPCAJP-MRVPVSSYSA-N 1 2 213.306 1.315 20 0 BDADLO CCc1noc(C)c1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761080133 585406397 /nfs/dbraw/zinc/40/63/97/585406397.db2.gz TXVIUOZRIVQNQU-JTQLQIEISA-N 1 2 237.347 1.681 20 0 BDADLO CCc1noc(C)c1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761080133 585406398 /nfs/dbraw/zinc/40/63/98/585406398.db2.gz TXVIUOZRIVQNQU-JTQLQIEISA-N 1 2 237.347 1.681 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000761083571 585407092 /nfs/dbraw/zinc/40/70/92/585407092.db2.gz KNVWBRXRUYWWQI-BDAKNGLRSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000761083571 585407093 /nfs/dbraw/zinc/40/70/93/585407093.db2.gz KNVWBRXRUYWWQI-BDAKNGLRSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761089564 585408013 /nfs/dbraw/zinc/40/80/13/585408013.db2.gz JASRPXZJJOCCFK-DTWKUNHWSA-N 1 2 207.277 1.787 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761089564 585408014 /nfs/dbraw/zinc/40/80/14/585408014.db2.gz JASRPXZJJOCCFK-DTWKUNHWSA-N 1 2 207.277 1.787 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1nccs1 ZINC000761095200 585408563 /nfs/dbraw/zinc/40/85/63/585408563.db2.gz OJXKENFPLIHPMR-SFYZADRCSA-N 1 2 223.301 1.176 20 0 BDADLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1nccs1 ZINC000761095200 585408564 /nfs/dbraw/zinc/40/85/64/585408564.db2.gz OJXKENFPLIHPMR-SFYZADRCSA-N 1 2 223.301 1.176 20 0 BDADLO Cn1cc(CO[NH+]=C(N)Cc2ccccc2)nn1 ZINC000761311343 585413484 /nfs/dbraw/zinc/41/34/84/585413484.db2.gz PSIYMIXJFROVMK-UHFFFAOYSA-N 1 2 245.286 1.056 20 0 BDADLO CCCNC(=S)NCc1ccn2cc[nH+]c2c1 ZINC000761836504 585419706 /nfs/dbraw/zinc/41/97/06/585419706.db2.gz CFXAEZRIHVMOMG-UHFFFAOYSA-N 1 2 248.355 1.708 20 0 BDADLO CC(C)c1nnnn1Cc1cc[nH+]c(N(C)C)c1 ZINC000762474367 585432754 /nfs/dbraw/zinc/43/27/54/585432754.db2.gz JXYRPYDASYATGH-UHFFFAOYSA-N 1 2 246.318 1.306 20 0 BDADLO O=C1CC[C@@H](C[N@@H+](CC(F)F)C2CCC2)N1 ZINC000887102612 585440499 /nfs/dbraw/zinc/44/04/99/585440499.db2.gz XPVVJKUMGIEILC-QMMMGPOBSA-N 1 2 232.274 1.385 20 0 BDADLO O=C1CC[C@@H](C[N@H+](CC(F)F)C2CCC2)N1 ZINC000887102612 585440500 /nfs/dbraw/zinc/44/05/00/585440500.db2.gz XPVVJKUMGIEILC-QMMMGPOBSA-N 1 2 232.274 1.385 20 0 BDADLO CC(C)c1n[nH]cc1C(=O)OCCn1cc[nH+]c1 ZINC000763113921 585443166 /nfs/dbraw/zinc/44/31/66/585443166.db2.gz PTXBMOANRRNERZ-UHFFFAOYSA-N 1 2 248.286 1.587 20 0 BDADLO Cc1cccc(C(=O)OCCn2cc[nH+]c2)c1O ZINC000763112947 585443327 /nfs/dbraw/zinc/44/33/27/585443327.db2.gz KFEHJVWHPMYNRW-UHFFFAOYSA-N 1 2 246.266 1.754 20 0 BDADLO COc1ncccc1C(=O)OCCn1cc[nH+]c1 ZINC000763111598 585443410 /nfs/dbraw/zinc/44/34/10/585443410.db2.gz BHTWGEUNBFEJNV-UHFFFAOYSA-N 1 2 247.254 1.144 20 0 BDADLO CON(C)C(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000763261822 585445448 /nfs/dbraw/zinc/44/54/48/585445448.db2.gz GRLUJZXMJNNIHH-UHFFFAOYSA-N 1 2 247.298 1.673 20 0 BDADLO CCOC(=O)[C@H](C)NCc1cccc2[nH+]ccn21 ZINC000763275531 585445776 /nfs/dbraw/zinc/44/57/76/585445776.db2.gz AZXSGBAVQDAECY-JTQLQIEISA-N 1 2 247.298 1.376 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)C1CCOCC1 ZINC000763292772 585446221 /nfs/dbraw/zinc/44/62/21/585446221.db2.gz BKAQCCGQVOVDBO-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(O)(C(C)C)C1 ZINC000765328164 585483970 /nfs/dbraw/zinc/48/39/70/585483970.db2.gz PDPQDAYDZZKONS-UHFFFAOYSA-N 1 2 249.314 1.047 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](C/C=C/Cl)CCN12 ZINC000766272672 585500130 /nfs/dbraw/zinc/50/01/30/585500130.db2.gz RABFIPUPOSAYQG-CITMHJQUSA-N 1 2 214.696 1.046 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](C/C=C/Cl)CCN12 ZINC000766272672 585500131 /nfs/dbraw/zinc/50/01/31/585500131.db2.gz RABFIPUPOSAYQG-CITMHJQUSA-N 1 2 214.696 1.046 20 0 BDADLO CCOC(=O)C[N@H+](CCC(=O)C1CC1)C1CC1 ZINC000767371732 585518273 /nfs/dbraw/zinc/51/82/73/585518273.db2.gz ZNLMSYNGRKQOPA-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(=O)C1CC1)C1CC1 ZINC000767371732 585518274 /nfs/dbraw/zinc/51/82/74/585518274.db2.gz ZNLMSYNGRKQOPA-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO C[N@H+](CCOC(C)(C)C)[C@H]1CCOC1=O ZINC000767905466 585528230 /nfs/dbraw/zinc/52/82/30/585528230.db2.gz OCTJFGKZZCHELZ-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)[C@H]1CCOC1=O ZINC000767905466 585528231 /nfs/dbraw/zinc/52/82/31/585528231.db2.gz OCTJFGKZZCHELZ-VIFPVBQESA-N 1 2 215.293 1.049 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1cc(F)cc(F)c1 ZINC000768304208 585535481 /nfs/dbraw/zinc/53/54/81/585535481.db2.gz YUAQCTUFDUZPAU-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1cc(F)cc(F)c1 ZINC000768304208 585535482 /nfs/dbraw/zinc/53/54/82/585535482.db2.gz YUAQCTUFDUZPAU-UHFFFAOYSA-N 1 2 242.269 1.533 20 0 BDADLO CC(=O)CCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000768345713 585536585 /nfs/dbraw/zinc/53/65/85/585536585.db2.gz FKGKEUDMJGESTL-UHFFFAOYSA-N 1 2 245.282 1.385 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000768934292 585546480 /nfs/dbraw/zinc/54/64/80/585546480.db2.gz NEUFZGJOFWLXNR-QMMMGPOBSA-N 1 2 218.297 1.335 20 0 BDADLO C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)[C@@H](C)C[N@@H+]1C ZINC000769145804 585550104 /nfs/dbraw/zinc/55/01/04/585550104.db2.gz PNBMSGKYIPYFPM-ZJUUUORDSA-N 1 2 240.347 1.153 20 0 BDADLO C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)[C@@H](C)C[N@H+]1C ZINC000769145804 585550105 /nfs/dbraw/zinc/55/01/05/585550105.db2.gz PNBMSGKYIPYFPM-ZJUUUORDSA-N 1 2 240.347 1.153 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cc(C)oc1C ZINC000769315834 585553540 /nfs/dbraw/zinc/55/35/40/585553540.db2.gz FWDHPFAAXGSXID-UHFFFAOYSA-N 1 2 225.288 1.891 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cc(C)oc1C ZINC000769315834 585553541 /nfs/dbraw/zinc/55/35/41/585553541.db2.gz FWDHPFAAXGSXID-UHFFFAOYSA-N 1 2 225.288 1.891 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859237432 589023386 /nfs/dbraw/zinc/02/33/86/589023386.db2.gz UJOQEPZJFITUDR-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H](F)c1ccccc1 ZINC000769579457 585560007 /nfs/dbraw/zinc/56/00/07/585560007.db2.gz NNWLOOORBYVOFF-NSHDSACASA-N 1 2 233.246 1.737 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H](F)c1ccccc1 ZINC000769579457 585560008 /nfs/dbraw/zinc/56/00/08/585560008.db2.gz NNWLOOORBYVOFF-NSHDSACASA-N 1 2 233.246 1.737 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859237432 589023388 /nfs/dbraw/zinc/02/33/88/589023388.db2.gz UJOQEPZJFITUDR-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO Cc1nc(NC[C@@H](O)c2ccccn2)cc[nH+]1 ZINC000770129679 585571022 /nfs/dbraw/zinc/57/10/22/585571022.db2.gz VMRNRZCBRRCJRD-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO CC(C)(C)[N@H+](CCF)CCS(C)(=O)=O ZINC000770217417 585571701 /nfs/dbraw/zinc/57/17/01/585571701.db2.gz RWXUGWAXPFGWOX-UHFFFAOYSA-N 1 2 225.329 1.101 20 0 BDADLO O=C(NCC(F)(F)F)c1cccc2[nH+]ccn21 ZINC000770399356 585573651 /nfs/dbraw/zinc/57/36/51/585573651.db2.gz GCZKRJYIGFJQAY-UHFFFAOYSA-N 1 2 243.188 1.626 20 0 BDADLO O=C(Nc1cc[nH]n1)c1cccc2[nH+]ccn21 ZINC000770657466 585579296 /nfs/dbraw/zinc/57/92/96/585579296.db2.gz YVJOPLPTBSAMHS-UHFFFAOYSA-N 1 2 227.227 1.310 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)c1ncc(C)o1 ZINC000770699636 585580396 /nfs/dbraw/zinc/58/03/96/585580396.db2.gz RIPNFWROUVZILE-YUMQZZPRSA-N 1 2 227.264 1.577 20 0 BDADLO COCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770924492 585584212 /nfs/dbraw/zinc/58/42/12/585584212.db2.gz DTYYFWMAYZFDIL-UHFFFAOYSA-N 1 2 248.282 1.804 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1(O)CCC1 ZINC000805423577 585591778 /nfs/dbraw/zinc/59/17/78/585591778.db2.gz URSLXPSAUFYGOC-UHFFFAOYSA-N 1 2 237.255 1.048 20 0 BDADLO CCOCC[N@H+](C)CN1C(=O)CC12CCC2 ZINC000771635381 585598238 /nfs/dbraw/zinc/59/82/38/585598238.db2.gz HPXCFODMXKQEAS-UHFFFAOYSA-N 1 2 226.320 1.067 20 0 BDADLO CCOCC[N@@H+](C)CN1C(=O)CC12CCC2 ZINC000771635381 585598239 /nfs/dbraw/zinc/59/82/39/585598239.db2.gz HPXCFODMXKQEAS-UHFFFAOYSA-N 1 2 226.320 1.067 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)Cc1cccnc1 ZINC000771665252 585598717 /nfs/dbraw/zinc/59/87/17/585598717.db2.gz WDLWTGMVWQDISA-JTQLQIEISA-N 1 2 237.303 1.548 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCC1CCOCC1 ZINC000771674043 585599038 /nfs/dbraw/zinc/59/90/38/585599038.db2.gz MBAIPFYDMMUROQ-UHFFFAOYSA-N 1 2 249.314 1.549 20 0 BDADLO OCC[C@@H]([NH2+]Cc1noc(C2CC2)n1)C1CC1 ZINC000771796814 585600095 /nfs/dbraw/zinc/60/00/95/585600095.db2.gz RXMCKHUNYMVVEI-SNVBAGLBSA-N 1 2 237.303 1.198 20 0 BDADLO O=c1[nH]c(C=Cc2[nH]cc[nH+]2)nc2cnccc12 ZINC000771861853 585602873 /nfs/dbraw/zinc/60/28/73/585602873.db2.gz KIVXXAQSOHCUFN-OWOJBTEDSA-N 1 2 239.238 1.212 20 0 BDADLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)n1C ZINC000771895611 585604134 /nfs/dbraw/zinc/60/41/34/585604134.db2.gz IJQUTMFSQPQMDR-UHFFFAOYSA-N 1 2 233.271 1.387 20 0 BDADLO CC(F)(F)CCC(=O)OCCn1cc[nH+]c1 ZINC000771923468 585604571 /nfs/dbraw/zinc/60/45/71/585604571.db2.gz WCDSHSZVRURYIZ-UHFFFAOYSA-N 1 2 232.230 1.862 20 0 BDADLO CCc1ocnc1C(=O)OCCn1cc[nH+]c1 ZINC000771978520 585606061 /nfs/dbraw/zinc/60/60/61/585606061.db2.gz MOULICQGIHPKMU-UHFFFAOYSA-N 1 2 235.243 1.291 20 0 BDADLO CC(C)[C@@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000772485953 585616242 /nfs/dbraw/zinc/61/62/42/585616242.db2.gz AQIVJCVXHVAZDS-WDEREUQCSA-N 1 2 222.288 1.718 20 0 BDADLO O=C(C=C1CCSCC1)NCc1c[nH+]c[nH]1 ZINC000772702056 585621652 /nfs/dbraw/zinc/62/16/52/585621652.db2.gz IBRHHOCAUCADKJ-UHFFFAOYSA-N 1 2 237.328 1.479 20 0 BDADLO O=C(C=C1CCSCC1)NCc1c[nH]c[nH+]1 ZINC000772702056 585621653 /nfs/dbraw/zinc/62/16/53/585621653.db2.gz IBRHHOCAUCADKJ-UHFFFAOYSA-N 1 2 237.328 1.479 20 0 BDADLO FCC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000773594915 585641407 /nfs/dbraw/zinc/64/14/07/585641407.db2.gz RHNVOLDQIDCMMU-UHFFFAOYSA-N 1 2 210.243 1.229 20 0 BDADLO FCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000773594915 585641408 /nfs/dbraw/zinc/64/14/08/585641408.db2.gz RHNVOLDQIDCMMU-UHFFFAOYSA-N 1 2 210.243 1.229 20 0 BDADLO Cc1ccncc1C[NH+]1CC(O)(C(C)C)C1 ZINC000773893791 585645746 /nfs/dbraw/zinc/64/57/46/585645746.db2.gz FAQIOCQHGUGWAA-UHFFFAOYSA-N 1 2 220.316 1.593 20 0 BDADLO CC(C)C1(O)C[NH+]([C@@H](C)c2cnccn2)C1 ZINC000773894264 585645871 /nfs/dbraw/zinc/64/58/71/585645871.db2.gz HRTPXDCAEBLOPQ-JTQLQIEISA-N 1 2 221.304 1.240 20 0 BDADLO CCc1cc(C[NH2+][C@H](C)c2nccn2C)[nH]n1 ZINC000775396804 585677633 /nfs/dbraw/zinc/67/76/33/585677633.db2.gz VFIQXEDCFULSQR-SECBINFHSA-N 1 2 233.319 1.556 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCF ZINC000775805934 585685479 /nfs/dbraw/zinc/68/54/79/585685479.db2.gz FRLFEZKHVVSWCJ-DTWKUNHWSA-N 1 2 203.257 1.229 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCF ZINC000775805934 585685480 /nfs/dbraw/zinc/68/54/80/585685480.db2.gz FRLFEZKHVVSWCJ-DTWKUNHWSA-N 1 2 203.257 1.229 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCc2c[nH+]cn2C)CCO1 ZINC000776525351 585699868 /nfs/dbraw/zinc/69/98/68/585699868.db2.gz SLJYOEDQXAEPLR-ZJUUUORDSA-N 1 2 238.287 1.278 20 0 BDADLO CC(C)COC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000776591436 585701992 /nfs/dbraw/zinc/70/19/92/585701992.db2.gz PPSFSBRXSULVEX-UHFFFAOYSA-N 1 2 243.347 1.470 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCCSCC1 ZINC000776595141 585702290 /nfs/dbraw/zinc/70/22/90/585702290.db2.gz FDUHSCAUMLVQCK-UHFFFAOYSA-N 1 2 231.361 1.625 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCCSCC1 ZINC000776595141 585702291 /nfs/dbraw/zinc/70/22/91/585702291.db2.gz FDUHSCAUMLVQCK-UHFFFAOYSA-N 1 2 231.361 1.625 20 0 BDADLO CCCn1cc(CN(C)Cc2[nH]cc[nH+]2)nn1 ZINC000887554473 585703078 /nfs/dbraw/zinc/70/30/78/585703078.db2.gz AASLAJUTYPQVNW-UHFFFAOYSA-N 1 2 234.307 1.043 20 0 BDADLO c1cn(Cc2ccc3c(c2)COC3)c[nH+]1 ZINC000777935910 585724289 /nfs/dbraw/zinc/72/42/89/585724289.db2.gz WDXIKMRTIPKKKX-UHFFFAOYSA-N 1 2 200.241 1.962 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)C1 ZINC000777966553 585724666 /nfs/dbraw/zinc/72/46/66/585724666.db2.gz NLEOJZUVIHANBR-IJLUTSLNSA-N 1 2 242.338 1.882 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C)[C@H](F)C2)C1 ZINC000777966553 585724667 /nfs/dbraw/zinc/72/46/67/585724667.db2.gz NLEOJZUVIHANBR-IJLUTSLNSA-N 1 2 242.338 1.882 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C)[C@H](F)C2)C1 ZINC000777966554 585724797 /nfs/dbraw/zinc/72/47/97/585724797.db2.gz NLEOJZUVIHANBR-QJPTWQEYSA-N 1 2 242.338 1.882 20 0 BDADLO CC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C)[C@H](F)C2)C1 ZINC000777966554 585724798 /nfs/dbraw/zinc/72/47/98/585724798.db2.gz NLEOJZUVIHANBR-QJPTWQEYSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@@H]1CC[N@H+](CN2CCCC2=O)C[C@@H]1F ZINC000777967119 585724840 /nfs/dbraw/zinc/72/48/40/585724840.db2.gz IEGYJCLINHRKRG-ZJUUUORDSA-N 1 2 214.284 1.246 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2CCCC2=O)C[C@@H]1F ZINC000777967119 585724841 /nfs/dbraw/zinc/72/48/41/585724841.db2.gz IEGYJCLINHRKRG-ZJUUUORDSA-N 1 2 214.284 1.246 20 0 BDADLO CCSCCO[NH+]=C(N)COC(C)C ZINC000778025641 585725310 /nfs/dbraw/zinc/72/53/10/585725310.db2.gz HBVAJCHDPUBVKU-UHFFFAOYSA-N 1 2 220.338 1.663 20 0 BDADLO CCS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000778239653 585728998 /nfs/dbraw/zinc/72/89/98/585728998.db2.gz TWEMTOMBLHTFIN-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO CCS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000778239653 585728999 /nfs/dbraw/zinc/72/89/99/585728999.db2.gz TWEMTOMBLHTFIN-NXEZZACHSA-N 1 2 237.340 1.101 20 0 BDADLO CC(C)C(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805608458 585735731 /nfs/dbraw/zinc/73/57/31/585735731.db2.gz DCKSPFINAQAJTJ-UHFFFAOYSA-N 1 2 241.331 1.629 20 0 BDADLO O=C1c2ccccc2C(=O)N1C[N@H+]1CC=CCC1 ZINC000778576604 585737573 /nfs/dbraw/zinc/73/75/73/585737573.db2.gz JOGJLPOOBLYJGT-UHFFFAOYSA-N 1 2 242.278 1.502 20 0 BDADLO O=C1c2ccccc2C(=O)N1C[N@@H+]1CC=CCC1 ZINC000778576604 585737574 /nfs/dbraw/zinc/73/75/74/585737574.db2.gz JOGJLPOOBLYJGT-UHFFFAOYSA-N 1 2 242.278 1.502 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094600 585745260 /nfs/dbraw/zinc/74/52/60/585745260.db2.gz DBCBSXYARSDDRN-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO COc1ccc([NH2+][C@@H](C)CCO)c(OC)c1 ZINC000779418223 585754357 /nfs/dbraw/zinc/75/43/57/585754357.db2.gz SMXJIADLWBUIKH-VIFPVBQESA-N 1 2 225.288 1.887 20 0 BDADLO COc1ccc([NH2+][C@@H](C)CCO)cc1CO ZINC000779420986 585754568 /nfs/dbraw/zinc/75/45/68/585754568.db2.gz APMLUUXCHINASP-VIFPVBQESA-N 1 2 225.288 1.370 20 0 BDADLO C[C@H](CCO)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000779423014 585754866 /nfs/dbraw/zinc/75/48/66/585754866.db2.gz ZICLSLAHTWWXMW-LLVKDONJSA-N 1 2 235.331 1.865 20 0 BDADLO CC[C@H](CO)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000779826588 585767688 /nfs/dbraw/zinc/76/76/88/585767688.db2.gz FSFYGSJLKPNZEN-ZJUUUORDSA-N 1 2 237.303 1.092 20 0 BDADLO NC(CCO)=[NH+]OCc1ccc(Cl)s1 ZINC000780124986 585772736 /nfs/dbraw/zinc/77/27/36/585772736.db2.gz IOCAFBCMSBOBRQ-UHFFFAOYSA-N 1 2 234.708 1.782 20 0 BDADLO Cc1cnc(C(=O)OCCn2cc[nH+]c2)c(C)c1 ZINC000780227201 585774033 /nfs/dbraw/zinc/77/40/33/585774033.db2.gz CVGLIIRPIRUZMD-UHFFFAOYSA-N 1 2 245.282 1.752 20 0 BDADLO Cc1cnc(C(=O)NCc2[nH]cc[nH+]2)c(C)c1 ZINC000780501407 585779559 /nfs/dbraw/zinc/77/95/59/585779559.db2.gz KBEIBFPAIQXYGP-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCc1[nH+]ccn1C ZINC000780929863 585786435 /nfs/dbraw/zinc/78/64/35/585786435.db2.gz ZWWBHOZNAQIAFM-MDZDMXLPSA-N 1 2 221.304 1.783 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000781617590 585800858 /nfs/dbraw/zinc/80/08/58/585800858.db2.gz BRMHURWSPBJNQY-NXEZZACHSA-N 1 2 221.304 1.267 20 0 BDADLO CCCn1cc(C(=O)OCCn2cc[nH+]c2)cn1 ZINC000781709827 585802079 /nfs/dbraw/zinc/80/20/79/585802079.db2.gz WNBXKCWVTXYVRP-UHFFFAOYSA-N 1 2 248.286 1.347 20 0 BDADLO Cc1nc(N[C@H](CO)C2CC2)c2c([nH+]1)CCCC2 ZINC000782141875 585808498 /nfs/dbraw/zinc/80/84/98/585808498.db2.gz MMUOWBWCNYAKIV-CYBMUJFWSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000782176899 585809962 /nfs/dbraw/zinc/80/99/62/585809962.db2.gz PNOWZJGBRSUBSA-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CCO1 ZINC000782176899 585809963 /nfs/dbraw/zinc/80/99/63/585809963.db2.gz PNOWZJGBRSUBSA-NSHDSACASA-N 1 2 235.331 1.368 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)c1cccc(F)c1 ZINC000782320093 585814858 /nfs/dbraw/zinc/81/48/58/585814858.db2.gz DRROLYBYDXTKDE-QMMMGPOBSA-N 1 2 226.251 1.707 20 0 BDADLO O=C(/C=C\c1ccc[nH]1)OCCn1cc[nH+]c1 ZINC000782337003 585815595 /nfs/dbraw/zinc/81/55/95/585815595.db2.gz SXLPUYAADNAUAG-ARJAWSKDSA-N 1 2 231.255 1.468 20 0 BDADLO CC(C)c1nc(N2CC(=O)N(C)C[C@H]2C)cc[nH+]1 ZINC000782391413 585816925 /nfs/dbraw/zinc/81/69/25/585816925.db2.gz IYRWOXXBAFJRKZ-SNVBAGLBSA-N 1 2 248.330 1.267 20 0 BDADLO COCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783149052 585828477 /nfs/dbraw/zinc/82/84/77/585828477.db2.gz OTQJOKSSJJYWIT-UHFFFAOYSA-N 1 2 226.251 1.513 20 0 BDADLO CCCOCC(=O)OCCCn1cc[nH+]c1 ZINC000783213621 585830851 /nfs/dbraw/zinc/83/08/51/585830851.db2.gz YWEDSZJPSZBZFI-UHFFFAOYSA-N 1 2 226.276 1.243 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)C1 ZINC000783547016 585836424 /nfs/dbraw/zinc/83/64/24/585836424.db2.gz ZKSLBPJPUJRWMA-RHYQMDGZSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@@H]1CC(=O)N(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)C1 ZINC000783547016 585836425 /nfs/dbraw/zinc/83/64/25/585836425.db2.gz ZKSLBPJPUJRWMA-RHYQMDGZSA-N 1 2 240.347 1.310 20 0 BDADLO C[C@@H](O)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC000783629348 585838950 /nfs/dbraw/zinc/83/89/50/585838950.db2.gz NVEBBNKVAHILTO-NXEZZACHSA-N 1 2 247.298 1.224 20 0 BDADLO CO[C@@H]1C[N@H+](Cn2ccsc2=O)CC[C@H]1C ZINC000783972032 585846271 /nfs/dbraw/zinc/84/62/71/585846271.db2.gz NCCBXCQNDNCQCH-NXEZZACHSA-N 1 2 242.344 1.224 20 0 BDADLO CO[C@@H]1C[N@@H+](Cn2ccsc2=O)CC[C@H]1C ZINC000783972032 585846272 /nfs/dbraw/zinc/84/62/72/585846272.db2.gz NCCBXCQNDNCQCH-NXEZZACHSA-N 1 2 242.344 1.224 20 0 BDADLO OCCC[N@H+](CCF)Cc1ccccn1 ZINC000805755221 585846613 /nfs/dbraw/zinc/84/66/13/585846613.db2.gz QKBMZOVTDQUMBM-UHFFFAOYSA-N 1 2 212.268 1.236 20 0 BDADLO OCCC[N@@H+](CCF)Cc1ccccn1 ZINC000805755221 585846614 /nfs/dbraw/zinc/84/66/14/585846614.db2.gz QKBMZOVTDQUMBM-UHFFFAOYSA-N 1 2 212.268 1.236 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H](F)C(C)C ZINC000784093761 585849301 /nfs/dbraw/zinc/84/93/01/585849301.db2.gz IGLQPSAFEXRLRC-SNVBAGLBSA-N 1 2 210.252 1.745 20 0 BDADLO CS/C=C\C(=O)OCCCn1cc[nH+]c1 ZINC000784215337 585852955 /nfs/dbraw/zinc/85/29/55/585852955.db2.gz ZAMGKNAQYGULOY-BAQGIRSFSA-N 1 2 226.301 1.693 20 0 BDADLO CC(C)[C@H](F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000784346521 585856410 /nfs/dbraw/zinc/85/64/10/585856410.db2.gz IPBXFUFHELDOQG-ZJUUUORDSA-N 1 2 227.283 1.382 20 0 BDADLO CC(C)[C@@H](F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000784445397 585859884 /nfs/dbraw/zinc/85/98/84/585859884.db2.gz KDTRBZLAFWNBJZ-LLVKDONJSA-N 1 2 241.310 1.726 20 0 BDADLO CC(C)[C@H](F)C(=O)OCCCn1cc[nH+]c1 ZINC000784873534 585867314 /nfs/dbraw/zinc/86/73/14/585867314.db2.gz CADKFRMFEBWYLE-JTQLQIEISA-N 1 2 228.267 1.811 20 0 BDADLO CC1=CC[N@H+](Cn2cc3[nH]cccc-3c2=O)CC1 ZINC000785508613 585875054 /nfs/dbraw/zinc/87/50/54/585875054.db2.gz LJUVGKZVNKXTMH-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO CC1=CC[N@@H+](Cn2cc3[nH]cccc-3c2=O)CC1 ZINC000785508613 585875055 /nfs/dbraw/zinc/87/50/55/585875055.db2.gz LJUVGKZVNKXTMH-UHFFFAOYSA-N 1 2 243.310 1.647 20 0 BDADLO NC(=[NH+]OCCC1(O)CC1)c1ccccc1 ZINC000785519552 585875104 /nfs/dbraw/zinc/87/51/04/585875104.db2.gz LTAUZKWJUPWGMQ-UHFFFAOYSA-N 1 2 220.272 1.448 20 0 BDADLO Cc1cncc(COC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000785680102 585877823 /nfs/dbraw/zinc/87/78/23/585877823.db2.gz VIRPHMMXEBNTBO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cncc(COC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000785680102 585877824 /nfs/dbraw/zinc/87/78/24/585877824.db2.gz VIRPHMMXEBNTBO-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO CC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000787965344 585917810 /nfs/dbraw/zinc/91/78/10/585917810.db2.gz YNQADJNXDGVTOL-NXEZZACHSA-N 1 2 215.293 1.093 20 0 BDADLO Cc1c[nH]nc1NC(=O)c1cccc2[nH+]ccn21 ZINC000788200979 585919153 /nfs/dbraw/zinc/91/91/53/585919153.db2.gz VXEHBDOFHUQONL-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO C[NH+](C)C(C)(C)CNC(=O)[C@H](F)C(F)(F)F ZINC000788276625 585920771 /nfs/dbraw/zinc/92/07/71/585920771.db2.gz AYUJWYOPGQLUDK-LURJTMIESA-N 1 2 244.232 1.343 20 0 BDADLO C[NH+](C)C(C)(C)CNC(=O)C(F)C(F)(F)F ZINC000788276625 585920772 /nfs/dbraw/zinc/92/07/72/585920772.db2.gz AYUJWYOPGQLUDK-LURJTMIESA-N 1 2 244.232 1.343 20 0 BDADLO CN(C)c1cc(CN(C)c2ccn(C)n2)cc[nH+]1 ZINC000788459659 585924974 /nfs/dbraw/zinc/92/49/74/585924974.db2.gz MIPFQSIKVGMJFW-UHFFFAOYSA-N 1 2 245.330 1.518 20 0 BDADLO C/C=C(\CC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000788809630 585930609 /nfs/dbraw/zinc/93/06/09/585930609.db2.gz YUOXTLZEOWLWRZ-BJMVGYQFSA-N 1 2 221.304 1.735 20 0 BDADLO C/C=C(\CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000788963912 585932546 /nfs/dbraw/zinc/93/25/46/585932546.db2.gz AQUKSIJBWXNLRG-JNZVDCKRSA-N 1 2 233.315 1.670 20 0 BDADLO CCCCC[C@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000789575546 585944383 /nfs/dbraw/zinc/94/43/83/585944383.db2.gz ASAQHCVXQNKRTM-MCIGGMRASA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cnc([C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000789605050 585945967 /nfs/dbraw/zinc/94/59/67/585945967.db2.gz DNXSJROLLSZMFF-BDAKNGLRSA-N 1 2 239.275 1.721 20 0 BDADLO CCSCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789609797 585946247 /nfs/dbraw/zinc/94/62/47/585946247.db2.gz HFRNJNTURMLINO-QMMMGPOBSA-N 1 2 218.322 1.417 20 0 BDADLO CC(C)CCC(=O)OCCc1c[nH+]cn1C ZINC000789771153 585949336 /nfs/dbraw/zinc/94/93/36/585949336.db2.gz FXWLKWXJYSRCHT-UHFFFAOYSA-N 1 2 224.304 1.942 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)c1ccco1 ZINC000789790748 585949951 /nfs/dbraw/zinc/94/99/51/585949951.db2.gz AAXYHBQTFUJPPN-UHFFFAOYSA-N 1 2 234.255 1.803 20 0 BDADLO CSCCC(=O)OCCCc1[nH+]ccn1C ZINC000789790087 585949984 /nfs/dbraw/zinc/94/99/84/585949984.db2.gz ZTJJVQWJCOHUDE-UHFFFAOYSA-N 1 2 242.344 1.649 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1cc(C)ccn1 ZINC000790502958 585965708 /nfs/dbraw/zinc/96/57/08/585965708.db2.gz GCHVTULCLVTRRE-SECBINFHSA-N 1 2 223.276 1.423 20 0 BDADLO NC(Cc1cccs1)=[NH+]OCc1ncccn1 ZINC000790503393 585965817 /nfs/dbraw/zinc/96/58/17/585965817.db2.gz TZYJOJZNNXZUJR-UHFFFAOYSA-N 1 2 248.311 1.779 20 0 BDADLO c1cn(CCSCc2ncccn2)c[nH+]1 ZINC000790566884 585966257 /nfs/dbraw/zinc/96/62/57/585966257.db2.gz FSRGDRYUDNPVLM-UHFFFAOYSA-N 1 2 220.301 1.607 20 0 BDADLO C[C@H]([NH2+]Cc1ccoc1)c1nnnn1C1CC1 ZINC000791010291 585972043 /nfs/dbraw/zinc/97/20/43/585972043.db2.gz WCWDXINJUAFBEW-QMMMGPOBSA-N 1 2 233.275 1.452 20 0 BDADLO Cc1ccoc1C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000791009488 585972109 /nfs/dbraw/zinc/97/21/09/585972109.db2.gz RCTFQAHHPZDPRQ-SECBINFHSA-N 1 2 247.302 1.760 20 0 BDADLO Cc1ccnc(COC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000791392524 585980250 /nfs/dbraw/zinc/98/02/50/585980250.db2.gz SONSCHXXSFUZAD-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1ccnc(COC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000791392524 585980251 /nfs/dbraw/zinc/98/02/51/585980251.db2.gz SONSCHXXSFUZAD-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COc1ccc2nc(C[N@H+]3[C@H](C)C[C@@H]3C)[nH]c2n1 ZINC000791575096 585984317 /nfs/dbraw/zinc/98/43/17/585984317.db2.gz AMJKVWWQXRMOBB-DTORHVGOSA-N 1 2 246.314 1.949 20 0 BDADLO COc1ccc2nc(C[N@@H+]3[C@H](C)C[C@@H]3C)[nH]c2n1 ZINC000791575096 585984318 /nfs/dbraw/zinc/98/43/18/585984318.db2.gz AMJKVWWQXRMOBB-DTORHVGOSA-N 1 2 246.314 1.949 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)OC[C@@H](C)O ZINC000791736382 585986808 /nfs/dbraw/zinc/98/68/08/585986808.db2.gz LOBNSOCDQQUAPY-SECBINFHSA-N 1 2 248.282 1.269 20 0 BDADLO Cc1c[nH]cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791776870 585987757 /nfs/dbraw/zinc/98/77/57/585987757.db2.gz FYJAFUOGNNZRML-UHFFFAOYSA-N 1 2 231.255 1.657 20 0 BDADLO Nc1cc(COC(=O)c2ccncc2F)cc[nH+]1 ZINC000791944244 585992271 /nfs/dbraw/zinc/99/22/71/585992271.db2.gz LABKCGYSILRFBL-UHFFFAOYSA-N 1 2 247.229 1.555 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2CC23CCC3)cc[nH+]1 ZINC000792022672 585994000 /nfs/dbraw/zinc/99/40/00/585994000.db2.gz FNKMTHZPGGOZMU-JTQLQIEISA-N 1 2 232.283 1.897 20 0 BDADLO CC(=O)CCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792152821 585996572 /nfs/dbraw/zinc/99/65/72/585996572.db2.gz YLEMUCFJNMJEGM-UHFFFAOYSA-N 1 2 236.271 1.466 20 0 BDADLO Nc1cc(COC(=O)C2(F)CCCC2)cc[nH+]1 ZINC000792151293 585996813 /nfs/dbraw/zinc/99/68/13/585996813.db2.gz ONJBDQUGLCMBSX-UHFFFAOYSA-N 1 2 238.262 1.989 20 0 BDADLO C[C@H]1CN(C(=O)C(=O)c2ccccc2)CC[N@@H+]1C ZINC000792199586 585997487 /nfs/dbraw/zinc/99/74/87/585997487.db2.gz JBFPTXJBLLHNPX-NSHDSACASA-N 1 2 246.310 1.032 20 0 BDADLO C[C@H]1CN(C(=O)C(=O)c2ccccc2)CC[N@H+]1C ZINC000792199586 585997488 /nfs/dbraw/zinc/99/74/88/585997488.db2.gz JBFPTXJBLLHNPX-NSHDSACASA-N 1 2 246.310 1.032 20 0 BDADLO CCn1ccc(C[N@H+](C)[C@@H]2CCOC2=O)c1 ZINC000792316738 585999620 /nfs/dbraw/zinc/99/96/20/585999620.db2.gz ZZRYCVBTNQRQFO-LLVKDONJSA-N 1 2 222.288 1.255 20 0 BDADLO CCn1ccc(C[N@@H+](C)[C@@H]2CCOC2=O)c1 ZINC000792316738 585999621 /nfs/dbraw/zinc/99/96/21/585999621.db2.gz ZZRYCVBTNQRQFO-LLVKDONJSA-N 1 2 222.288 1.255 20 0 BDADLO CC(C)SCC(=O)OCCc1c[nH+]cn1C ZINC000793252382 586015185 /nfs/dbraw/zinc/01/51/85/586015185.db2.gz YYKDPEGLDYDZSQ-UHFFFAOYSA-N 1 2 242.344 1.647 20 0 BDADLO C/C=C/C=C/C(=O)OCCc1c[nH+]cn1C ZINC000793254792 586015382 /nfs/dbraw/zinc/01/53/82/586015382.db2.gz GDIMPXDOHPRWHG-VNKDHWASSA-N 1 2 220.272 1.638 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2ccn(C)n2)n(C)n1 ZINC000793548747 586022449 /nfs/dbraw/zinc/02/24/49/586022449.db2.gz VATXJPBWPLMVPS-SNVBAGLBSA-N 1 2 233.319 1.313 20 0 BDADLO S=c1ncccn1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000793619705 586024353 /nfs/dbraw/zinc/02/43/53/586024353.db2.gz UWYHKNLTUIFPGB-BDAKNGLRSA-N 1 2 223.301 1.043 20 0 BDADLO S=c1ncccn1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000793619705 586024354 /nfs/dbraw/zinc/02/43/54/586024354.db2.gz UWYHKNLTUIFPGB-BDAKNGLRSA-N 1 2 223.301 1.043 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC=CO1 ZINC000793890653 586028470 /nfs/dbraw/zinc/02/84/70/586028470.db2.gz ZZYIGBDWWJAMPT-NSHDSACASA-N 1 2 235.287 1.151 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC=CO1 ZINC000793890653 586028471 /nfs/dbraw/zinc/02/84/71/586028471.db2.gz ZZYIGBDWWJAMPT-NSHDSACASA-N 1 2 235.287 1.151 20 0 BDADLO Cc1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)ncn1 ZINC000794462240 586040205 /nfs/dbraw/zinc/04/02/05/586040205.db2.gz MKIDJRKRNWEURQ-LBPRGKRZSA-N 1 2 243.314 1.845 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000794576710 586044641 /nfs/dbraw/zinc/04/46/41/586044641.db2.gz MHALJLGVIBKLDV-SRVKXCTJSA-N 1 2 243.347 1.469 20 0 BDADLO Cc1oncc1C[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000794949784 586057463 /nfs/dbraw/zinc/05/74/63/586057463.db2.gz SMDZVGPGIIFGEB-ZYHUDNBSSA-N 1 2 221.304 1.119 20 0 BDADLO Cc1oncc1C[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000794949784 586057464 /nfs/dbraw/zinc/05/74/64/586057464.db2.gz SMDZVGPGIIFGEB-ZYHUDNBSSA-N 1 2 221.304 1.119 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1occc1C ZINC000795177615 586070512 /nfs/dbraw/zinc/07/05/12/586070512.db2.gz ODLCCRKJHJTHLN-UHFFFAOYSA-N 1 2 226.276 1.040 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1occc1C ZINC000795177615 586070514 /nfs/dbraw/zinc/07/05/14/586070514.db2.gz ODLCCRKJHJTHLN-UHFFFAOYSA-N 1 2 226.276 1.040 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)C1(C)CC1 ZINC000795522955 586082983 /nfs/dbraw/zinc/08/29/83/586082983.db2.gz WFJCRQNVHJPYBX-JTQLQIEISA-N 1 2 239.315 1.383 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)C1(C)CC1 ZINC000795522955 586082985 /nfs/dbraw/zinc/08/29/85/586082985.db2.gz WFJCRQNVHJPYBX-JTQLQIEISA-N 1 2 239.315 1.383 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1c[nH]cn1 ZINC000796449890 586103330 /nfs/dbraw/zinc/10/33/30/586103330.db2.gz MVDOIAIVVQQECU-CYBMUJFWSA-N 1 2 231.299 1.541 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000796452041 586103705 /nfs/dbraw/zinc/10/37/05/586103705.db2.gz SKCOINVAMAJCHY-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000796452041 586103706 /nfs/dbraw/zinc/10/37/06/586103706.db2.gz SKCOINVAMAJCHY-ZDUSSCGKSA-N 1 2 249.289 1.714 20 0 BDADLO Cc1ccncc1C[N@H+](C)CC1OCCO1 ZINC000796507791 586105501 /nfs/dbraw/zinc/10/55/01/586105501.db2.gz FMAZMZQZGGXEEQ-UHFFFAOYSA-N 1 2 222.288 1.195 20 0 BDADLO Cc1ccncc1C[N@@H+](C)CC1OCCO1 ZINC000796507791 586105502 /nfs/dbraw/zinc/10/55/02/586105502.db2.gz FMAZMZQZGGXEEQ-UHFFFAOYSA-N 1 2 222.288 1.195 20 0 BDADLO CC(=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000796582954 586107754 /nfs/dbraw/zinc/10/77/54/586107754.db2.gz IGMYTAAGJUBASP-VIFPVBQESA-N 1 2 221.247 1.322 20 0 BDADLO CC(=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000796582954 586107755 /nfs/dbraw/zinc/10/77/55/586107755.db2.gz IGMYTAAGJUBASP-VIFPVBQESA-N 1 2 221.247 1.322 20 0 BDADLO C[C@@H]1C[N@H+](CCF)C[C@@]2(CCCOC2)O1 ZINC000796606781 586108310 /nfs/dbraw/zinc/10/83/10/586108310.db2.gz JOIGMEHKGAEEHW-GHMZBOCLSA-N 1 2 217.284 1.226 20 0 BDADLO C[C@@H]1C[N@@H+](CCF)C[C@@]2(CCCOC2)O1 ZINC000796606781 586108311 /nfs/dbraw/zinc/10/83/11/586108311.db2.gz JOIGMEHKGAEEHW-GHMZBOCLSA-N 1 2 217.284 1.226 20 0 BDADLO CC[N@H+](CCF)CC(=O)N1CCCCCC1 ZINC000796599501 586108344 /nfs/dbraw/zinc/10/83/44/586108344.db2.gz BDVWKIPXNZABHY-UHFFFAOYSA-N 1 2 230.327 1.680 20 0 BDADLO CC[N@@H+](CCF)CC(=O)N1CCCCCC1 ZINC000796599501 586108345 /nfs/dbraw/zinc/10/83/45/586108345.db2.gz BDVWKIPXNZABHY-UHFFFAOYSA-N 1 2 230.327 1.680 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000796745753 586111271 /nfs/dbraw/zinc/11/12/71/586111271.db2.gz RDXCULGOVKRQMZ-ONGXEEELSA-N 1 2 240.303 1.524 20 0 BDADLO O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc2[nH+]ccn21 ZINC000797577957 586128814 /nfs/dbraw/zinc/12/88/14/586128814.db2.gz MUECFWXFRKZKGQ-WDEREUQCSA-N 1 2 241.294 1.863 20 0 BDADLO CN(C)C(=O)C[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000797747294 586130615 /nfs/dbraw/zinc/13/06/15/586130615.db2.gz TZEFDCQNBXOIRZ-SSDOTTSWSA-N 1 2 239.146 1.200 20 0 BDADLO CN(C)C(=O)C[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000797747294 586130616 /nfs/dbraw/zinc/13/06/16/586130616.db2.gz TZEFDCQNBXOIRZ-SSDOTTSWSA-N 1 2 239.146 1.200 20 0 BDADLO C/C=C/C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000798639168 586147276 /nfs/dbraw/zinc/14/72/76/586147276.db2.gz MHPUGPWLFBTMNP-ONEGZZNKSA-N 1 2 245.326 1.615 20 0 BDADLO O[C@@H](Cn1cc[nH+]c1)c1ccc(F)cn1 ZINC000799305799 586170498 /nfs/dbraw/zinc/17/04/98/586170498.db2.gz AVFUOFBYSZHHSO-JTQLQIEISA-N 1 2 207.208 1.151 20 0 BDADLO C[C@@H]1C[NH+]([C@@H]2CCOC2=O)C[C@@H](C)C1(F)F ZINC000859411654 589034995 /nfs/dbraw/zinc/03/49/95/589034995.db2.gz MCIJUNSGLYCMPF-IWSPIJDZSA-N 1 2 233.258 1.525 20 0 BDADLO C[C@H]1C[NH+](Cc2cnon2)C[C@H](C)C1(F)F ZINC000859414276 589035589 /nfs/dbraw/zinc/03/55/89/589035589.db2.gz HQLDSWUHVAJADW-YUMQZZPRSA-N 1 2 231.246 1.793 20 0 BDADLO Cn1c[nH+]c(C=Cc2nccc(=O)[nH]2)c1 ZINC000800794858 586229087 /nfs/dbraw/zinc/22/90/87/586229087.db2.gz RWVVRVIMCPUUGF-NSCUHMNNSA-N 1 2 202.217 1.086 20 0 BDADLO Cc1cc(C)nc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000801445430 586257304 /nfs/dbraw/zinc/25/73/04/586257304.db2.gz NOHKPSAADNJIPW-UHFFFAOYSA-N 1 2 245.282 1.752 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)s1 ZINC000801547496 586261950 /nfs/dbraw/zinc/26/19/50/586261950.db2.gz PSDYVUCMBNOVKD-NMLBEHRDSA-N 1 2 239.344 1.222 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)s1 ZINC000801547496 586261951 /nfs/dbraw/zinc/26/19/51/586261951.db2.gz PSDYVUCMBNOVKD-NMLBEHRDSA-N 1 2 239.344 1.222 20 0 BDADLO O=C(C[C@@H]1C=CCC1)OCCn1cc[nH+]c1 ZINC000802228173 586296787 /nfs/dbraw/zinc/29/67/87/586296787.db2.gz KSFPUBSGFVVYFU-LLVKDONJSA-N 1 2 220.272 1.783 20 0 BDADLO CC(C)[C@H](F)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802231806 586297472 /nfs/dbraw/zinc/29/74/72/586297472.db2.gz AZSUQCIRBOUERT-UWVGGRQHSA-N 1 2 235.274 1.568 20 0 BDADLO CC(C)[C@H](F)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802231806 586297475 /nfs/dbraw/zinc/29/74/75/586297475.db2.gz AZSUQCIRBOUERT-UWVGGRQHSA-N 1 2 235.274 1.568 20 0 BDADLO CC[C@H](SC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802241288 586298806 /nfs/dbraw/zinc/29/88/06/586298806.db2.gz ZGMGCGBFPVWXCG-UWVGGRQHSA-N 1 2 249.351 1.715 20 0 BDADLO CC[C@H](SC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241288 586298807 /nfs/dbraw/zinc/29/88/07/586298807.db2.gz ZGMGCGBFPVWXCG-UWVGGRQHSA-N 1 2 249.351 1.715 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802241324 586299374 /nfs/dbraw/zinc/29/93/74/586299374.db2.gz ZPIODCDZHOIMPD-SRVKXCTJSA-N 1 2 243.322 1.866 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241324 586299375 /nfs/dbraw/zinc/29/93/75/586299375.db2.gz ZPIODCDZHOIMPD-SRVKXCTJSA-N 1 2 243.322 1.866 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000802747207 586312244 /nfs/dbraw/zinc/31/22/44/586312244.db2.gz HICNRRWVDKBODP-ZETCQYMHSA-N 1 2 249.286 1.443 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000802747207 586312247 /nfs/dbraw/zinc/31/22/47/586312247.db2.gz HICNRRWVDKBODP-ZETCQYMHSA-N 1 2 249.286 1.443 20 0 BDADLO C[C@H]1C[N@H+](CCSC2=NCCS2)CCO1 ZINC000839978596 586313756 /nfs/dbraw/zinc/31/37/56/586313756.db2.gz MRJMOKURQGXOQI-VIFPVBQESA-N 1 2 246.401 1.543 20 0 BDADLO C[C@H]1C[N@@H+](CCSC2=NCCS2)CCO1 ZINC000839978596 586313759 /nfs/dbraw/zinc/31/37/59/586313759.db2.gz MRJMOKURQGXOQI-VIFPVBQESA-N 1 2 246.401 1.543 20 0 BDADLO CC(C)OCC(=O)OCCCc1[nH+]ccn1C ZINC000802790101 586314977 /nfs/dbraw/zinc/31/49/77/586314977.db2.gz SPCWGWXCXIEVLK-UHFFFAOYSA-N 1 2 240.303 1.321 20 0 BDADLO CC(C)[C@@H](F)C(=O)OCCCc1[nH+]ccn1C ZINC000802790195 586315087 /nfs/dbraw/zinc/31/50/87/586315087.db2.gz WYXHAKIKXAANNH-LLVKDONJSA-N 1 2 242.294 1.890 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@H](C)C2=O)C[C@@H](C)O1 ZINC000839993743 586335544 /nfs/dbraw/zinc/33/55/44/586335544.db2.gz REMUNWBPDKTXLO-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@H](C)C2=O)C[C@@H](C)O1 ZINC000839993743 586335546 /nfs/dbraw/zinc/33/55/46/586335546.db2.gz REMUNWBPDKTXLO-QJPTWQEYSA-N 1 2 240.347 1.312 20 0 BDADLO Cc1cnccc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000859568460 589045763 /nfs/dbraw/zinc/04/57/63/589045763.db2.gz XXISVKXFILWKJC-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO Cc1cnccc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000859568460 589045765 /nfs/dbraw/zinc/04/57/65/589045765.db2.gz XXISVKXFILWKJC-ZDUSSCGKSA-N 1 2 248.326 1.918 20 0 BDADLO CS/C=C\C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804334838 586390524 /nfs/dbraw/zinc/39/05/24/586390524.db2.gz KOSIWJYBWMAYFG-XRVBUDJMSA-N 1 2 237.328 1.191 20 0 BDADLO C[C@@H]1CC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@@H]1F ZINC000840039505 586390741 /nfs/dbraw/zinc/39/07/41/586390741.db2.gz AHVSTHBWXWTYBB-WYUUTHIRSA-N 1 2 240.322 1.635 20 0 BDADLO C[C@@H]1CC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C[C@@H]1F ZINC000840039505 586390744 /nfs/dbraw/zinc/39/07/44/586390744.db2.gz AHVSTHBWXWTYBB-WYUUTHIRSA-N 1 2 240.322 1.635 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)C1=O ZINC000840042369 586394822 /nfs/dbraw/zinc/39/48/22/586394822.db2.gz OQJYACJUBOGWCU-GMTAPVOTSA-N 1 2 228.311 1.492 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CC[C@@H](C)[C@H](F)C2)C1=O ZINC000840042369 586394824 /nfs/dbraw/zinc/39/48/24/586394824.db2.gz OQJYACJUBOGWCU-GMTAPVOTSA-N 1 2 228.311 1.492 20 0 BDADLO CC[C@]1(C)C[N@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840053444 586402934 /nfs/dbraw/zinc/40/29/34/586402934.db2.gz NYHWHCVZZOYJBX-DGCLKSJQSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@]1(C)C[N@@H+](CN2CC[C@@H](C)C2=O)CCO1 ZINC000840053444 586402937 /nfs/dbraw/zinc/40/29/37/586402937.db2.gz NYHWHCVZZOYJBX-DGCLKSJQSA-N 1 2 240.347 1.313 20 0 BDADLO C[C@H]1CCN(C[N@@H+]2CC[C@H](OC(F)F)C2)C1=O ZINC000840064522 586414328 /nfs/dbraw/zinc/41/43/28/586414328.db2.gz NGOODPPLFJKQAL-IUCAKERBSA-N 1 2 248.273 1.126 20 0 BDADLO C[C@H]1CCN(C[N@H+]2CC[C@H](OC(F)F)C2)C1=O ZINC000840064522 586414331 /nfs/dbraw/zinc/41/43/31/586414331.db2.gz NGOODPPLFJKQAL-IUCAKERBSA-N 1 2 248.273 1.126 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cn1c2ccccc2oc1=O ZINC000840082563 586422433 /nfs/dbraw/zinc/42/24/33/586422433.db2.gz GNUDCHFXVYQRQU-SNVBAGLBSA-N 1 2 248.282 1.273 20 0 BDADLO COC[C@H]1CC[N@H+]1Cn1c2ccccc2oc1=O ZINC000840082563 586422434 /nfs/dbraw/zinc/42/24/34/586422434.db2.gz GNUDCHFXVYQRQU-SNVBAGLBSA-N 1 2 248.282 1.273 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cn1ncc(Cl)c1C ZINC000840082448 586422791 /nfs/dbraw/zinc/42/27/91/586422791.db2.gz CHRSUVPYLKFPLA-VIFPVBQESA-N 1 2 229.711 1.523 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cn1ncc(Cl)c1C ZINC000840082448 586422792 /nfs/dbraw/zinc/42/27/92/586422792.db2.gz CHRSUVPYLKFPLA-VIFPVBQESA-N 1 2 229.711 1.523 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H]2COC)C1 ZINC000840084454 586423974 /nfs/dbraw/zinc/42/39/74/586423974.db2.gz TZEZOJQUQGQNGH-DGCLKSJQSA-N 1 2 240.347 1.313 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@H]2COC)C1 ZINC000840084454 586423977 /nfs/dbraw/zinc/42/39/77/586423977.db2.gz TZEZOJQUQGQNGH-DGCLKSJQSA-N 1 2 240.347 1.313 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)Oc2cccnc2)n1 ZINC000843144925 586436776 /nfs/dbraw/zinc/43/67/76/586436776.db2.gz OHQUXWTZSIQWIK-SECBINFHSA-N 1 2 248.286 1.714 20 0 BDADLO c1nncn1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000840093556 586442390 /nfs/dbraw/zinc/44/23/90/586442390.db2.gz IWSYXDZOMCRSBA-LBPRGKRZSA-N 1 2 236.319 1.127 20 0 BDADLO c1nncn1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000840093556 586442391 /nfs/dbraw/zinc/44/23/91/586442391.db2.gz IWSYXDZOMCRSBA-LBPRGKRZSA-N 1 2 236.319 1.127 20 0 BDADLO CC[NH2+]Cc1noc(COC2CCCC2)n1 ZINC000843145577 586445182 /nfs/dbraw/zinc/44/51/82/586445182.db2.gz OEOHLEJNVXRMNX-UHFFFAOYSA-N 1 2 225.292 1.638 20 0 BDADLO CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000840099975 586445673 /nfs/dbraw/zinc/44/56/73/586445673.db2.gz RATQBFOZLGIFDT-PWSUYJOCSA-N 1 2 244.310 1.015 20 0 BDADLO CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000840099975 586445674 /nfs/dbraw/zinc/44/56/74/586445674.db2.gz RATQBFOZLGIFDT-PWSUYJOCSA-N 1 2 244.310 1.015 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CN2CCSC2=O)C1 ZINC000840100565 586445728 /nfs/dbraw/zinc/44/57/28/586445728.db2.gz NCOIQRPVOLAZCW-SNVBAGLBSA-N 1 2 232.324 1.937 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CN2CCSC2=O)C1 ZINC000840100565 586445730 /nfs/dbraw/zinc/44/57/30/586445730.db2.gz NCOIQRPVOLAZCW-SNVBAGLBSA-N 1 2 232.324 1.937 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](F)C2)C1 ZINC000840102657 586446617 /nfs/dbraw/zinc/44/66/17/586446617.db2.gz ADVVNEOQEMGDCR-UWVGGRQHSA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@H+]2CC[C@H](F)C2)C1 ZINC000840102657 586446618 /nfs/dbraw/zinc/44/66/18/586446618.db2.gz ADVVNEOQEMGDCR-UWVGGRQHSA-N 1 2 214.284 1.246 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](F)C2)C1 ZINC000840102644 586446771 /nfs/dbraw/zinc/44/67/71/586446771.db2.gz YWLPXKUITOWTJZ-CMPLNLGQSA-N 1 2 228.311 1.636 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H](F)C2)C1 ZINC000840102644 586446773 /nfs/dbraw/zinc/44/67/73/586446773.db2.gz YWLPXKUITOWTJZ-CMPLNLGQSA-N 1 2 228.311 1.636 20 0 BDADLO F[C@@H]1CC[N@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000840103814 586447100 /nfs/dbraw/zinc/44/71/00/586447100.db2.gz OVIVAVXICPOIQE-SNVBAGLBSA-N 1 2 247.277 1.341 20 0 BDADLO F[C@@H]1CC[N@@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000840103814 586447102 /nfs/dbraw/zinc/44/71/02/586447102.db2.gz OVIVAVXICPOIQE-SNVBAGLBSA-N 1 2 247.277 1.341 20 0 BDADLO CO[C@H]1CC[N@H+](Cn2cc(Cl)cn2)C[C@H]1C ZINC000840121916 586450034 /nfs/dbraw/zinc/45/00/34/586450034.db2.gz BWSLBZZPJYODKI-KOLCDFICSA-N 1 2 243.738 1.851 20 0 BDADLO CO[C@H]1CC[N@@H+](Cn2cc(Cl)cn2)C[C@H]1C ZINC000840121916 586450035 /nfs/dbraw/zinc/45/00/35/586450035.db2.gz BWSLBZZPJYODKI-KOLCDFICSA-N 1 2 243.738 1.851 20 0 BDADLO C[C@H]1CC[N@H+](CN2CC(C)(C)CC2=O)C[C@H]1F ZINC000808176250 586466485 /nfs/dbraw/zinc/46/64/85/586466485.db2.gz CDNMSIOOXHWQBS-WDEREUQCSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1CC[N@@H+](CN2CC(C)(C)CC2=O)C[C@H]1F ZINC000808176250 586466486 /nfs/dbraw/zinc/46/64/86/586466486.db2.gz CDNMSIOOXHWQBS-WDEREUQCSA-N 1 2 242.338 1.882 20 0 BDADLO CC(C)Cn1cc(NCc2cn(C)c[nH+]2)cn1 ZINC000808402090 586470763 /nfs/dbraw/zinc/47/07/63/586470763.db2.gz QXTJQQFKPBOOJT-UHFFFAOYSA-N 1 2 233.319 1.885 20 0 BDADLO Cn1c[nH+]c(CNc2ccc3c(c2)C(=O)NC3)c1 ZINC000808399076 586470814 /nfs/dbraw/zinc/47/08/14/586470814.db2.gz MAKRVQCWWRYWEN-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO Cc1ccc(COC(=O)c2cn(C)nn2)c(C)[nH+]1 ZINC000808659477 586481693 /nfs/dbraw/zinc/48/16/93/586481693.db2.gz NGFQQAADICXPCR-UHFFFAOYSA-N 1 2 246.270 1.184 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)C(C)C ZINC000808741659 586486526 /nfs/dbraw/zinc/48/65/26/586486526.db2.gz LIZVLEBEHJSSOH-NSHDSACASA-N 1 2 240.347 1.202 20 0 BDADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)C(C)C ZINC000808741659 586486528 /nfs/dbraw/zinc/48/65/28/586486528.db2.gz LIZVLEBEHJSSOH-NSHDSACASA-N 1 2 240.347 1.202 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000808754188 586488371 /nfs/dbraw/zinc/48/83/71/586488371.db2.gz HKRPSENNQHNOHY-ZBEGNZNMSA-N 1 2 245.388 1.445 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000808754188 586488372 /nfs/dbraw/zinc/48/83/72/586488372.db2.gz HKRPSENNQHNOHY-ZBEGNZNMSA-N 1 2 245.388 1.445 20 0 BDADLO CC(C)C(=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000808758683 586488922 /nfs/dbraw/zinc/48/89/22/586488922.db2.gz DYTXMBOGODDUPR-JTQLQIEISA-N 1 2 249.301 1.958 20 0 BDADLO CC(C)C(=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000808758683 586488924 /nfs/dbraw/zinc/48/89/24/586488924.db2.gz DYTXMBOGODDUPR-JTQLQIEISA-N 1 2 249.301 1.958 20 0 BDADLO S=c1[nH]ccn1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168952 586503426 /nfs/dbraw/zinc/50/34/26/586503426.db2.gz QBSDMFONRQBGGL-YUMQZZPRSA-N 1 2 227.358 1.319 20 0 BDADLO S=c1[nH]ccn1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168952 586503428 /nfs/dbraw/zinc/50/34/28/586503428.db2.gz QBSDMFONRQBGGL-YUMQZZPRSA-N 1 2 227.358 1.319 20 0 BDADLO CC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000809548268 586506587 /nfs/dbraw/zinc/50/65/87/586506587.db2.gz HFGIITODGHULCF-UHFFFAOYSA-N 1 2 204.229 1.706 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)co1 ZINC000809697133 586513623 /nfs/dbraw/zinc/51/36/23/586513623.db2.gz CEEVWJLGIKZSJM-CHWSQXEVSA-N 1 2 237.299 1.659 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)co1 ZINC000809697133 586513624 /nfs/dbraw/zinc/51/36/24/586513624.db2.gz CEEVWJLGIKZSJM-CHWSQXEVSA-N 1 2 237.299 1.659 20 0 BDADLO CCCn1cc(C[NH2+]Cc2nonc2C)cn1 ZINC000809744566 586516549 /nfs/dbraw/zinc/51/65/49/586516549.db2.gz RBQMRAPOGLWNAM-UHFFFAOYSA-N 1 2 235.291 1.274 20 0 BDADLO Cn1ncc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000809931693 586524008 /nfs/dbraw/zinc/52/40/08/586524008.db2.gz OKJODZRBRILRHU-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1ncc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000809931693 586524009 /nfs/dbraw/zinc/52/40/09/586524009.db2.gz OKJODZRBRILRHU-UHFFFAOYSA-N 1 2 234.278 1.586 20 0 BDADLO Cn1ncc(C[N@@H+]2CC(C)(C)OCC2(C)C)n1 ZINC000809948180 586525469 /nfs/dbraw/zinc/52/54/69/586525469.db2.gz XMQPNGGAOWLMHB-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cn1ncc(C[N@H+]2CC(C)(C)OCC2(C)C)n1 ZINC000809948180 586525470 /nfs/dbraw/zinc/52/54/70/586525470.db2.gz XMQPNGGAOWLMHB-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cnn(C)n2)CCS1 ZINC000809951173 586525656 /nfs/dbraw/zinc/52/56/56/586525656.db2.gz ZPGGQDUJQMWMJC-NSHDSACASA-N 1 2 240.376 1.389 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cnn(C)n2)CCS1 ZINC000809951173 586525657 /nfs/dbraw/zinc/52/56/57/586525657.db2.gz ZPGGQDUJQMWMJC-NSHDSACASA-N 1 2 240.376 1.389 20 0 BDADLO Cn1ncc(C[NH+]2CC(Cc3ccccc3)C2)n1 ZINC000809968604 586527334 /nfs/dbraw/zinc/52/73/34/586527334.db2.gz XXQDKUXTUYTBMH-UHFFFAOYSA-N 1 2 242.326 1.490 20 0 BDADLO Cn1ncc(C[N@@H+]2CCC[C@H](OC(F)F)C2)n1 ZINC000809973777 586528316 /nfs/dbraw/zinc/52/83/16/586528316.db2.gz AEONYXJEINNZGR-VIFPVBQESA-N 1 2 246.261 1.019 20 0 BDADLO Cn1ncc(C[N@H+]2CCC[C@H](OC(F)F)C2)n1 ZINC000809973777 586528317 /nfs/dbraw/zinc/52/83/17/586528317.db2.gz AEONYXJEINNZGR-VIFPVBQESA-N 1 2 246.261 1.019 20 0 BDADLO Cn1ncc(C[NH+]2CC(C)(C)OC(C)(C)C2)n1 ZINC000809984848 586528909 /nfs/dbraw/zinc/52/89/09/586528909.db2.gz ALKSKUPJSGSEGU-UHFFFAOYSA-N 1 2 238.335 1.205 20 0 BDADLO Cc1ncsc1CO[NH+]=C(N)COC(C)C ZINC000809995283 586529551 /nfs/dbraw/zinc/52/95/51/586529551.db2.gz OPEPPXCCQJITGR-UHFFFAOYSA-N 1 2 243.332 1.875 20 0 BDADLO COc1cc([C@@H](C)[NH2+]Cc2cnn(C)n2)ccn1 ZINC000810017952 586531341 /nfs/dbraw/zinc/53/13/41/586531341.db2.gz ARJKJFFCWDCAFN-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO CCCCOC(=O)[C@@H](C)[NH2+][C@@](C)(CO)C(C)C ZINC000810076946 586531861 /nfs/dbraw/zinc/53/18/61/586531861.db2.gz PVCBBNVEELUIPQ-YPMHNXCESA-N 1 2 245.363 1.715 20 0 BDADLO CC(=O)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000810740918 586545824 /nfs/dbraw/zinc/54/58/24/586545824.db2.gz RLENUOJSVZWQOH-LLVKDONJSA-N 1 2 235.287 1.004 20 0 BDADLO CC(=O)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000810740918 586545825 /nfs/dbraw/zinc/54/58/25/586545825.db2.gz RLENUOJSVZWQOH-LLVKDONJSA-N 1 2 235.287 1.004 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(F)CCCCC1 ZINC000810754579 586546162 /nfs/dbraw/zinc/54/61/62/586546162.db2.gz IPZFJXHPMPNITP-UHFFFAOYSA-N 1 2 239.294 1.709 20 0 BDADLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1ccco1 ZINC000810755165 586546170 /nfs/dbraw/zinc/54/61/70/586546170.db2.gz NDQDRGVHDJUOLX-VIFPVBQESA-N 1 2 233.271 1.433 20 0 BDADLO CCCc1cc(C(=O)NCc2c[nH+]cn2C)[nH]n1 ZINC000811588864 586561862 /nfs/dbraw/zinc/56/18/62/586561862.db2.gz ACOHFQTYMJZJRV-UHFFFAOYSA-N 1 2 247.302 1.026 20 0 BDADLO CC(C)NC(=S)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811711966 586565979 /nfs/dbraw/zinc/56/59/79/586565979.db2.gz CIQWYEQRWRIDNU-QMMMGPOBSA-N 1 2 238.360 1.140 20 0 BDADLO CC(C)NC(=S)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811711966 586565980 /nfs/dbraw/zinc/56/59/80/586565980.db2.gz CIQWYEQRWRIDNU-QMMMGPOBSA-N 1 2 238.360 1.140 20 0 BDADLO Cc1noc2ncnc(NCc3c[nH+]cn3C)c12 ZINC000811846598 586567903 /nfs/dbraw/zinc/56/79/03/586567903.db2.gz VUYPNPSUFJJRNE-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO CC(C)[N@H+](Cn1ccsc1=O)[C@H]1CCOC1 ZINC000812293059 586572737 /nfs/dbraw/zinc/57/27/37/586572737.db2.gz VTJWBIQYZAEITQ-JTQLQIEISA-N 1 2 242.344 1.367 20 0 BDADLO CC(C)[N@@H+](Cn1ccsc1=O)[C@H]1CCOC1 ZINC000812293059 586572738 /nfs/dbraw/zinc/57/27/38/586572738.db2.gz VTJWBIQYZAEITQ-JTQLQIEISA-N 1 2 242.344 1.367 20 0 BDADLO CC[N@H+](C[C@@H](C)OC)Cn1ncn(C)c1=S ZINC000812303983 586573223 /nfs/dbraw/zinc/57/32/23/586573223.db2.gz UVOZOHSFXHSOAT-SECBINFHSA-N 1 2 244.364 1.265 20 0 BDADLO CC[N@@H+](C[C@@H](C)OC)Cn1ncn(C)c1=S ZINC000812303983 586573224 /nfs/dbraw/zinc/57/32/24/586573224.db2.gz UVOZOHSFXHSOAT-SECBINFHSA-N 1 2 244.364 1.265 20 0 BDADLO Cn1c[nH+]cc1CNc1ncc2c(n1)CCCC2 ZINC000840306097 586610328 /nfs/dbraw/zinc/61/03/28/586610328.db2.gz PNQAXORHRQUTOS-UHFFFAOYSA-N 1 2 243.314 1.701 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)[C@@H]1CC(C)(C)OC1=O ZINC000814179645 586616165 /nfs/dbraw/zinc/61/61/65/586616165.db2.gz FSCBLYNHXJYFBO-GFCCVEGCSA-N 1 2 249.310 1.918 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)[C@@H]1CC(C)(C)OC1=O ZINC000814179645 586616166 /nfs/dbraw/zinc/61/61/66/586616166.db2.gz FSCBLYNHXJYFBO-GFCCVEGCSA-N 1 2 249.310 1.918 20 0 BDADLO CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000815164524 586672269 /nfs/dbraw/zinc/67/22/69/586672269.db2.gz XPOQTCUAXNICFT-ZJUUUORDSA-N 1 2 219.350 1.151 20 0 BDADLO CCCS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@@H]1C ZINC000815164524 586672271 /nfs/dbraw/zinc/67/22/71/586672271.db2.gz XPOQTCUAXNICFT-ZJUUUORDSA-N 1 2 219.350 1.151 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1sccc1F ZINC000815330929 586679555 /nfs/dbraw/zinc/67/95/55/586679555.db2.gz OPOJZJVUIVZTQX-UHFFFAOYSA-N 1 2 240.259 1.941 20 0 BDADLO Cc1cocc1C(=O)OCCc1c[nH+]cn1C ZINC000859781043 589060938 /nfs/dbraw/zinc/06/09/38/589060938.db2.gz AMKOJYBQFSMCLX-UHFFFAOYSA-N 1 2 234.255 1.721 20 0 BDADLO Cn1ncc(C[N@@H+]2CCCOCC2)c1Cl ZINC000816493387 586736712 /nfs/dbraw/zinc/73/67/12/586736712.db2.gz ZFMIAIHLYXYVTP-UHFFFAOYSA-N 1 2 229.711 1.296 20 0 BDADLO Cn1ncc(C[N@H+]2CCCOCC2)c1Cl ZINC000816493387 586736715 /nfs/dbraw/zinc/73/67/15/586736715.db2.gz ZFMIAIHLYXYVTP-UHFFFAOYSA-N 1 2 229.711 1.296 20 0 BDADLO C/C=C(/CC)C(=O)NCc1c[nH+]c(C)nc1N ZINC000816576168 586742375 /nfs/dbraw/zinc/74/23/75/586742375.db2.gz MFSALMUVZKRRRA-WTKPLQERSA-N 1 2 234.303 1.340 20 0 BDADLO Cc1sccc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000816586119 586742950 /nfs/dbraw/zinc/74/29/50/586742950.db2.gz ALQGPNGJZRDTLX-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cc1sccc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000816586119 586742951 /nfs/dbraw/zinc/74/29/51/586742951.db2.gz ALQGPNGJZRDTLX-VIFPVBQESA-N 1 2 238.356 1.719 20 0 BDADLO Cn1ncc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)n1 ZINC000816615082 586744757 /nfs/dbraw/zinc/74/47/57/586744757.db2.gz MNVNVCCMWKRIQX-LLVKDONJSA-N 1 2 220.320 1.436 20 0 BDADLO Cn1ncc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)n1 ZINC000816615082 586744760 /nfs/dbraw/zinc/74/47/60/586744760.db2.gz MNVNVCCMWKRIQX-LLVKDONJSA-N 1 2 220.320 1.436 20 0 BDADLO Cn1ncc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)n1 ZINC000816614660 586744976 /nfs/dbraw/zinc/74/49/76/586744976.db2.gz BUVSXOIOPJLRDJ-GFCCVEGCSA-N 1 2 232.331 1.580 20 0 BDADLO Cn1ncc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)n1 ZINC000816614660 586744978 /nfs/dbraw/zinc/74/49/78/586744978.db2.gz BUVSXOIOPJLRDJ-GFCCVEGCSA-N 1 2 232.331 1.580 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1CCCCC1 ZINC000816809673 586765480 /nfs/dbraw/zinc/76/54/80/586765480.db2.gz GYYBATYHBYZOES-UHFFFAOYSA-N 1 2 207.277 1.401 20 0 BDADLO Cc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816810062 586765792 /nfs/dbraw/zinc/76/57/92/586765792.db2.gz VVUXIVWFBXROKK-UHFFFAOYSA-N 1 2 215.256 1.899 20 0 BDADLO Cc1ccnc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816821466 586766176 /nfs/dbraw/zinc/76/61/76/586766176.db2.gz AWSQDAAAXLZURX-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO COc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816820697 586766243 /nfs/dbraw/zinc/76/62/43/586766243.db2.gz XCZKDODJFGTYOE-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO C[C@@H]1c2cccn2CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816843529 586767649 /nfs/dbraw/zinc/76/76/49/586767649.db2.gz JXQJSQZHZHTQDM-SNVBAGLBSA-N 1 2 244.298 1.357 20 0 BDADLO CN(C)c1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816859340 586768857 /nfs/dbraw/zinc/76/88/57/586768857.db2.gz VHIQUOXYGNOSRL-UHFFFAOYSA-N 1 2 244.298 1.657 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(CC(F)F)C1CC1 ZINC000816950465 586773999 /nfs/dbraw/zinc/77/39/99/586773999.db2.gz SGJYVLMUVNOYPX-UHFFFAOYSA-N 1 2 229.230 1.208 20 0 BDADLO CN(C)c1cc(COC(=O)[C@H]2CC23CC3)cc[nH+]1 ZINC000817233687 586788465 /nfs/dbraw/zinc/78/84/65/586788465.db2.gz USEKKMHPKGBPCP-LLVKDONJSA-N 1 2 246.310 1.991 20 0 BDADLO CO[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)C1CC1 ZINC000818084710 586871637 /nfs/dbraw/zinc/87/16/37/586871637.db2.gz GGULZYNPNDYVCJ-UWVGGRQHSA-N 1 2 228.292 1.089 20 0 BDADLO CCn1nc(C)c(C[NH2+]Cc2ccncc2F)n1 ZINC000818219741 586879889 /nfs/dbraw/zinc/87/98/89/586879889.db2.gz BOFQDDDOLDIHTE-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO CC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)C(=O)[O-] ZINC000818323892 586886785 /nfs/dbraw/zinc/88/67/85/586886785.db2.gz WHNCFKHSLGMKTE-LLVKDONJSA-N 1 2 247.298 1.596 20 0 BDADLO Cc1cc(NC(=O)C=C[C@H]2CCCO2)c(C)c[nH+]1 ZINC000819414098 586962446 /nfs/dbraw/zinc/96/24/46/586962446.db2.gz WSDQRYDXPJVXHL-FOQNGQEVSA-N 1 2 246.310 1.794 20 0 BDADLO CC/C(C)=C/C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819779647 586993920 /nfs/dbraw/zinc/99/39/20/586993920.db2.gz AHJDWFFXOZOIBW-IVGLGHLBSA-N 1 2 212.318 1.950 20 0 BDADLO C/C=C(\CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819784110 586994796 /nfs/dbraw/zinc/99/47/96/586994796.db2.gz XPYWJYJTHYFNOR-PUSOHNNWSA-N 1 2 212.318 1.950 20 0 BDADLO CC(C)(C)/C=C\C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000819967269 587008416 /nfs/dbraw/zinc/00/84/16/587008416.db2.gz DLLUTYUJCIPZPS-XQRVVYSFSA-N 1 2 233.315 1.897 20 0 BDADLO CC(C)(C)/C=C\C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000819967269 587008417 /nfs/dbraw/zinc/00/84/17/587008417.db2.gz DLLUTYUJCIPZPS-XQRVVYSFSA-N 1 2 233.315 1.897 20 0 BDADLO C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820002356 587012141 /nfs/dbraw/zinc/01/21/41/587012141.db2.gz OFUHBZDQRKKTOH-MRVPVSSYSA-N 1 2 233.271 1.016 20 0 BDADLO C[C@H]1CC[N@H+](CCC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820238391 587037402 /nfs/dbraw/zinc/03/74/02/587037402.db2.gz OWCLCAMIDXHFAP-QWRGUYRKSA-N 1 2 237.303 1.241 20 0 BDADLO C[C@H]1CC[N@@H+](CCC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820238391 587037404 /nfs/dbraw/zinc/03/74/04/587037404.db2.gz OWCLCAMIDXHFAP-QWRGUYRKSA-N 1 2 237.303 1.241 20 0 BDADLO C[C@@H](NC(=O)/C=C\c1ccncn1)c1[nH]cc[nH+]1 ZINC000820267629 587039392 /nfs/dbraw/zinc/03/93/92/587039392.db2.gz GSBXQSWJKQFRTM-PKRMOACSSA-N 1 2 243.270 1.090 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(Cl)no2)CC[N@@H+]1C ZINC000820295700 587042077 /nfs/dbraw/zinc/04/20/77/587042077.db2.gz NDABWDVSTKEDMD-SSDOTTSWSA-N 1 2 243.694 1.104 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc(Cl)no2)CC[N@H+]1C ZINC000820295700 587042079 /nfs/dbraw/zinc/04/20/79/587042079.db2.gz NDABWDVSTKEDMD-SSDOTTSWSA-N 1 2 243.694 1.104 20 0 BDADLO Cc1noc(C)c1N(C)C(=O)C[NH+]1CCCC1 ZINC000820458633 587050163 /nfs/dbraw/zinc/05/01/63/587050163.db2.gz ZFDOXAHZEYQMRY-UHFFFAOYSA-N 1 2 237.303 1.350 20 0 BDADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000820491605 587051394 /nfs/dbraw/zinc/05/13/94/587051394.db2.gz YMTIYTUSSNEKNV-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO C=C=CCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000820586776 587056858 /nfs/dbraw/zinc/05/68/58/587056858.db2.gz PWFIFUBTNBRZMU-UHFFFAOYSA-N 1 2 233.319 1.814 20 0 BDADLO C=C=CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000820586776 587056859 /nfs/dbraw/zinc/05/68/59/587056859.db2.gz PWFIFUBTNBRZMU-UHFFFAOYSA-N 1 2 233.319 1.814 20 0 BDADLO CC(C)c1nc(NCC(C)(CO)CO)cc[nH+]1 ZINC000820593632 587057900 /nfs/dbraw/zinc/05/79/00/587057900.db2.gz CMTZLPJLEDLULT-UHFFFAOYSA-N 1 2 239.319 1.003 20 0 BDADLO CC(F)(F)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820616378 587059301 /nfs/dbraw/zinc/05/93/01/587059301.db2.gz MZSLNFHXHHDJNZ-UHFFFAOYSA-N 1 2 239.225 1.948 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000820959936 587084480 /nfs/dbraw/zinc/08/44/80/587084480.db2.gz KRSUBOLHMDDWPU-VIFPVBQESA-N 1 2 209.293 1.455 20 0 BDADLO C[C@@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C1CC1 ZINC000821179501 587100083 /nfs/dbraw/zinc/10/00/83/587100083.db2.gz OHJRNJCXNTWAMC-SSJHQANKSA-N 1 2 219.288 1.348 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821332046 587108156 /nfs/dbraw/zinc/10/81/56/587108156.db2.gz JDKKAEKXWHNMKW-AAEUAGOBSA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821332046 587108157 /nfs/dbraw/zinc/10/81/57/587108157.db2.gz JDKKAEKXWHNMKW-AAEUAGOBSA-N 1 2 246.310 1.577 20 0 BDADLO CCc1c[nH]c(CC(=O)NN2CCCCC2)[nH+]1 ZINC000821344071 587109324 /nfs/dbraw/zinc/10/93/24/587109324.db2.gz GCXFVXYMVQUBQL-UHFFFAOYSA-N 1 2 236.319 1.032 20 0 BDADLO COCCN(CC(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000821345988 587109993 /nfs/dbraw/zinc/10/99/93/587109993.db2.gz RFSKSZJCEJWEON-UHFFFAOYSA-N 1 2 239.319 1.083 20 0 BDADLO CCC[C@](C)([NH2+]C[C@H]1CCC(=O)O1)C(=O)OC ZINC000821381376 587114641 /nfs/dbraw/zinc/11/46/41/587114641.db2.gz XDRLMKBKQRVZSB-SKDRFNHKSA-N 1 2 243.303 1.013 20 0 BDADLO Nc1cc(COC(=O)/C=C\[C@H]2CCCO2)cc[nH+]1 ZINC000821398841 587117223 /nfs/dbraw/zinc/11/72/23/587117223.db2.gz TZOKKHNYCWFGKL-DLRQAJBASA-N 1 2 248.282 1.442 20 0 BDADLO Cc1nc[nH]c1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000821517492 587124529 /nfs/dbraw/zinc/12/45/29/587124529.db2.gz RXEQFGJQFBZQQE-VIFPVBQESA-N 1 2 245.286 1.419 20 0 BDADLO CO[C@@H](C)C(=O)OCCc1cn2ccccc2[nH+]1 ZINC000821595643 587131723 /nfs/dbraw/zinc/13/17/23/587131723.db2.gz FRKIBRHXEBUQJB-JTQLQIEISA-N 1 2 248.282 1.455 20 0 BDADLO CC(C)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607872 587132588 /nfs/dbraw/zinc/13/25/88/587132588.db2.gz JGMORCVNGNRFBW-UHFFFAOYSA-N 1 2 222.288 1.847 20 0 BDADLO CC1(CO)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000821721276 587135690 /nfs/dbraw/zinc/13/56/90/587135690.db2.gz RWDFYJRJXZBJTL-UHFFFAOYSA-N 1 2 245.282 1.017 20 0 BDADLO CC[C@](C)(O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821785781 587137879 /nfs/dbraw/zinc/13/78/79/587137879.db2.gz HDJTXEYXRHQPPU-LNLATYFQSA-N 1 2 237.303 1.166 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2cc(Cl)no2)C1 ZINC000822119725 587154465 /nfs/dbraw/zinc/15/44/65/587154465.db2.gz SGGKHSNWIDTRJK-UHFFFAOYSA-N 1 2 243.694 1.150 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000822276168 587160254 /nfs/dbraw/zinc/16/02/54/587160254.db2.gz GHBANWPXYJMSIK-GXSJLCMTSA-N 1 2 235.331 1.819 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000822276171 587160298 /nfs/dbraw/zinc/16/02/98/587160298.db2.gz GHBANWPXYJMSIK-ONGXEEELSA-N 1 2 235.331 1.819 20 0 BDADLO C=C=CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000823081573 587201492 /nfs/dbraw/zinc/20/14/92/587201492.db2.gz NBVSFKFHUTURMF-GFCCVEGCSA-N 1 2 233.315 1.928 20 0 BDADLO CC(C(=O)NCCCn1cc[nH+]c1)=C1CCC1 ZINC000823532960 587229927 /nfs/dbraw/zinc/22/99/27/587229927.db2.gz DURCQIOICWUUNY-UHFFFAOYSA-N 1 2 233.315 1.890 20 0 BDADLO CC1(CCC(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000823634607 587233737 /nfs/dbraw/zinc/23/37/37/587233737.db2.gz MGRVKBHRYHQYMB-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO C[C@@H]1CCCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823657528 587235286 /nfs/dbraw/zinc/23/52/86/587235286.db2.gz FTHSZAUOOBDGGQ-MNOVXSKESA-N 1 2 235.331 1.895 20 0 BDADLO COc1ccc(N(C)C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000823830464 587241659 /nfs/dbraw/zinc/24/16/59/587241659.db2.gz SZWJSCSIWCJOKZ-UHFFFAOYSA-N 1 2 246.270 1.019 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC23CCCC3)c1 ZINC000823828441 587241678 /nfs/dbraw/zinc/24/16/78/587241678.db2.gz CJACMPKSCHXNDN-SNAWJCMRSA-N 1 2 245.326 1.978 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)NC2(C3CCC3)CC2)c1 ZINC000823987599 587247602 /nfs/dbraw/zinc/24/76/02/587247602.db2.gz WJLSPUJFFJARSM-AATRIKPKSA-N 1 2 245.326 1.882 20 0 BDADLO C[C@@H](NC(=O)/C=C\c1cn(C)c[nH+]1)C(C)(C)C ZINC000824082046 587254065 /nfs/dbraw/zinc/25/40/65/587254065.db2.gz ARWZCEOLJALBEL-JYESYGNLSA-N 1 2 235.331 1.984 20 0 BDADLO CCn1nc(C)c(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000824313883 587265749 /nfs/dbraw/zinc/26/57/49/587265749.db2.gz CZIBOFKCNANCLP-IUCAKERBSA-N 1 2 208.309 1.589 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000824370068 587267964 /nfs/dbraw/zinc/26/79/64/587267964.db2.gz ABOYDBSGHINIFY-PHIMTYICSA-N 1 2 238.335 1.216 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)n1 ZINC000824370068 587267965 /nfs/dbraw/zinc/26/79/65/587267965.db2.gz ABOYDBSGHINIFY-PHIMTYICSA-N 1 2 238.335 1.216 20 0 BDADLO COc1cc(C)ccc1C[NH2+]Cc1nonc1C ZINC000824388233 587268431 /nfs/dbraw/zinc/26/84/31/587268431.db2.gz CDCFYFFHXZGLHQ-UHFFFAOYSA-N 1 2 247.298 1.985 20 0 BDADLO CC[C@@H]1CC[N@@H+]1Cc1nn(CC)nc1C ZINC000824429213 587270093 /nfs/dbraw/zinc/27/00/93/587270093.db2.gz YNSXBJGZOLWGNX-SNVBAGLBSA-N 1 2 208.309 1.591 20 0 BDADLO CC[C@@H]1CC[N@H+]1Cc1nn(CC)nc1C ZINC000824429213 587270094 /nfs/dbraw/zinc/27/00/94/587270094.db2.gz YNSXBJGZOLWGNX-SNVBAGLBSA-N 1 2 208.309 1.591 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2C=CCC2)[nH+]1 ZINC000824438180 587270428 /nfs/dbraw/zinc/27/04/28/587270428.db2.gz KKLNMINSDAQHNE-JTQLQIEISA-N 1 2 219.288 1.349 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C)C=CCC1 ZINC000824628283 587280316 /nfs/dbraw/zinc/28/03/16/587280316.db2.gz AFFYNMXNCAGWTO-LBPRGKRZSA-N 1 2 219.288 1.724 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)C=CCC1 ZINC000824628283 587280317 /nfs/dbraw/zinc/28/03/17/587280317.db2.gz AFFYNMXNCAGWTO-LBPRGKRZSA-N 1 2 219.288 1.724 20 0 BDADLO Cc1cnn(C)c1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824741646 587285454 /nfs/dbraw/zinc/28/54/54/587285454.db2.gz ZHFQBVMDEMWKAU-SNAWJCMRSA-N 1 2 245.286 1.114 20 0 BDADLO CCN(CC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000824905772 587292970 /nfs/dbraw/zinc/29/29/70/587292970.db2.gz CLZZAGBBQHWFRV-UHFFFAOYSA-N 1 2 235.209 1.363 20 0 BDADLO O=C(C[NH+]1CCCC1)Nc1cccc(F)c1O ZINC000824991016 587297608 /nfs/dbraw/zinc/29/76/08/587297608.db2.gz ZRYVZDLVOCRXMI-UHFFFAOYSA-N 1 2 238.262 1.566 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000824998899 587298178 /nfs/dbraw/zinc/29/81/78/587298178.db2.gz FRZMMHJYYROKPH-RULNRJAQSA-N 1 2 246.310 1.979 20 0 BDADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000824998897 587298196 /nfs/dbraw/zinc/29/81/96/587298196.db2.gz FRZMMHJYYROKPH-GPCCPHFNSA-N 1 2 246.310 1.979 20 0 BDADLO CCN(Cc1ccncc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000825059188 587301952 /nfs/dbraw/zinc/30/19/52/587301952.db2.gz VHWKFFZMCSQMMG-UHFFFAOYSA-N 1 2 244.298 1.396 20 0 BDADLO CCn1ccc(NC(=O)/C=C\c2cn(C)c[nH+]2)n1 ZINC000825068910 587302385 /nfs/dbraw/zinc/30/23/85/587302385.db2.gz BFPAAQHENWSNHG-PLNGDYQASA-N 1 2 245.286 1.288 20 0 BDADLO CCN(Cc1ccoc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000825391290 587317835 /nfs/dbraw/zinc/31/78/35/587317835.db2.gz SMRPDGRNFQEZEU-UHFFFAOYSA-N 1 2 233.271 1.594 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)CSCCF ZINC000825665790 587330226 /nfs/dbraw/zinc/33/02/26/587330226.db2.gz DHOGABPAAXSDQH-DTWKUNHWSA-N 1 2 237.340 1.619 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N[C@@]2(C)CC2(C)C)c1 ZINC000825682813 587331584 /nfs/dbraw/zinc/33/15/84/587331584.db2.gz BBBQTLRAIQEPSF-GFUIURDCSA-N 1 2 233.315 1.738 20 0 BDADLO C/C(=C/C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742059 587335431 /nfs/dbraw/zinc/33/54/31/587335431.db2.gz VRVXCJOOFKDBKK-FGUAACIASA-N 1 2 249.314 1.620 20 0 BDADLO C/C(=C/C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)[O-] ZINC000825742059 587335433 /nfs/dbraw/zinc/33/54/33/587335433.db2.gz VRVXCJOOFKDBKK-FGUAACIASA-N 1 2 249.314 1.620 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(C1CC1)C1CCCC1 ZINC000826072357 587350330 /nfs/dbraw/zinc/35/03/30/587350330.db2.gz XVAKUARBVZMUOP-UHFFFAOYSA-N 1 2 233.315 1.886 20 0 BDADLO Cc1ccc(-c2nn[nH]n2)c(NCCC2CC2)[nH+]1 ZINC000826275739 587351494 /nfs/dbraw/zinc/35/14/94/587351494.db2.gz JCVSVXYHHKVQNM-UHFFFAOYSA-N 1 2 244.302 1.782 20 0 BDADLO Cc1ccc(-c2nn[nH]n2)c(NCC(F)F)[nH+]1 ZINC000826276282 587351761 /nfs/dbraw/zinc/35/17/61/587351761.db2.gz ZMDNSNMLSKCSEP-UHFFFAOYSA-N 1 2 240.217 1.247 20 0 BDADLO Cc1cc[nH+]c(NCC2CCC2)c1-c1nn[nH]n1 ZINC000826313827 587351925 /nfs/dbraw/zinc/35/19/25/587351925.db2.gz VHDFRWIGFRZJQL-UHFFFAOYSA-N 1 2 244.302 1.782 20 0 BDADLO Cc1cc[nH+]c(NC2CCCC2)c1-c1nn[nH]n1 ZINC000826313081 587352362 /nfs/dbraw/zinc/35/23/62/587352362.db2.gz VTLJERCIDPZZJX-UHFFFAOYSA-N 1 2 244.302 1.925 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000826734278 587360403 /nfs/dbraw/zinc/36/04/03/587360403.db2.gz QHEGWOZGVDOFTA-QRGHLMKCSA-N 1 2 247.342 1.938 20 0 BDADLO CCC(F)(F)C(=O)Nc1cc[nH+]cc1C ZINC000826765774 587361499 /nfs/dbraw/zinc/36/14/99/587361499.db2.gz HINKOOBPVXWLEY-UHFFFAOYSA-N 1 2 214.215 1.796 20 0 BDADLO Cn1c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cnc1Cl ZINC000827292371 587375775 /nfs/dbraw/zinc/37/57/75/587375775.db2.gz QRTGHDRNUHJTEF-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO Cn1c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cnc1Cl ZINC000827292371 587375776 /nfs/dbraw/zinc/37/57/76/587375776.db2.gz QRTGHDRNUHJTEF-GZMMTYOYSA-N 1 2 241.722 1.030 20 0 BDADLO Cc1c[nH]c(CNC(=O)c2cc(C=O)oc2C)[nH+]1 ZINC000827582730 587390415 /nfs/dbraw/zinc/39/04/15/587390415.db2.gz WJDWVPWTJYFJFG-UHFFFAOYSA-N 1 2 247.254 1.362 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@H]1C ZINC000827945619 587412452 /nfs/dbraw/zinc/41/24/52/587412452.db2.gz XRJJXTNGBKCARP-RQJHMYQMSA-N 1 2 241.726 1.653 20 0 BDADLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@H]1C ZINC000827945619 587412453 /nfs/dbraw/zinc/41/24/53/587412453.db2.gz XRJJXTNGBKCARP-RQJHMYQMSA-N 1 2 241.726 1.653 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000828329634 587435356 /nfs/dbraw/zinc/43/53/56/587435356.db2.gz RZTBOEJCNGCPNG-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000828329634 587435357 /nfs/dbraw/zinc/43/53/57/587435357.db2.gz RZTBOEJCNGCPNG-LLVKDONJSA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)n1ccc(CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000828351655 587437997 /nfs/dbraw/zinc/43/79/97/587437997.db2.gz SJOSFOSPKKCFJY-UHFFFAOYSA-N 1 2 247.302 1.046 20 0 BDADLO CCc1ncnc(N[C@H]2CCn3cc[nH+]c32)c1F ZINC000828358845 587438616 /nfs/dbraw/zinc/43/86/16/587438616.db2.gz VOGSRSVOUYDBFL-VIFPVBQESA-N 1 2 247.277 1.932 20 0 BDADLO CC(C)CC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000828462071 587443742 /nfs/dbraw/zinc/44/37/42/587443742.db2.gz JVSVQWCNWDKGAQ-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO CC(C)CC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000828462071 587443744 /nfs/dbraw/zinc/44/37/44/587443744.db2.gz JVSVQWCNWDKGAQ-NSHDSACASA-N 1 2 240.347 1.154 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000828529273 587447923 /nfs/dbraw/zinc/44/79/23/587447923.db2.gz JTLGMMQYPINYSC-ZCFIWIBFSA-N 1 2 237.250 1.922 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000828529273 587447924 /nfs/dbraw/zinc/44/79/24/587447924.db2.gz JTLGMMQYPINYSC-ZCFIWIBFSA-N 1 2 237.250 1.922 20 0 BDADLO CCc1nocc1C(=O)OCCn1cc[nH+]c1 ZINC000860435136 589100365 /nfs/dbraw/zinc/10/03/65/589100365.db2.gz NWWDNOMOWFGLFT-UHFFFAOYSA-N 1 2 235.243 1.291 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000828834335 587465867 /nfs/dbraw/zinc/46/58/67/587465867.db2.gz PVIALOUOLOMMII-MXWKQRLJSA-N 1 2 231.336 1.325 20 0 BDADLO CC(=O)[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000828866526 587467803 /nfs/dbraw/zinc/46/78/03/587467803.db2.gz GHVBFFIQWNSXAR-RYUDHWBXSA-N 1 2 241.331 1.628 20 0 BDADLO CC(=O)[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000828866526 587467805 /nfs/dbraw/zinc/46/78/05/587467805.db2.gz GHVBFFIQWNSXAR-RYUDHWBXSA-N 1 2 241.331 1.628 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCC2=CCCC2)C1 ZINC000828878184 587468298 /nfs/dbraw/zinc/46/82/98/587468298.db2.gz YPAIYKYRNSLHPF-LBPRGKRZSA-N 1 2 239.315 1.361 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCC2=CCCC2)C1 ZINC000828878184 587468299 /nfs/dbraw/zinc/46/82/99/587468299.db2.gz YPAIYKYRNSLHPF-LBPRGKRZSA-N 1 2 239.315 1.361 20 0 BDADLO C[N@@H+]1CCn2nc(NC(=O)C34CC(C3)C4)cc2C1 ZINC000829387467 587495230 /nfs/dbraw/zinc/49/52/30/587495230.db2.gz VRVCFOGQRQTNAO-UHFFFAOYSA-N 1 2 246.314 1.067 20 0 BDADLO C[N@H+]1CCn2nc(NC(=O)C34CC(C3)C4)cc2C1 ZINC000829387467 587495231 /nfs/dbraw/zinc/49/52/31/587495231.db2.gz VRVCFOGQRQTNAO-UHFFFAOYSA-N 1 2 246.314 1.067 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000830668571 587563598 /nfs/dbraw/zinc/56/35/98/587563598.db2.gz RESFZWXEEYQOHY-JTQLQIEISA-N 1 2 229.320 1.343 20 0 BDADLO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838402 587573528 /nfs/dbraw/zinc/57/35/28/587573528.db2.gz AVHLOBRPKKNEFT-MNOVXSKESA-N 1 2 239.315 1.335 20 0 BDADLO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)CC2(CCCC2)O1 ZINC000830838402 587573530 /nfs/dbraw/zinc/57/35/30/587573530.db2.gz AVHLOBRPKKNEFT-MNOVXSKESA-N 1 2 239.315 1.335 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000830919880 587577777 /nfs/dbraw/zinc/57/77/77/587577777.db2.gz MLIOPTDVVMGGGP-SECBINFHSA-N 1 2 209.293 1.503 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)c[nH+]1 ZINC000831385977 587602255 /nfs/dbraw/zinc/60/22/55/587602255.db2.gz LFMRLGGUVDFLFI-NKWVEPMBSA-N 1 2 247.220 1.646 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000831483298 587612835 /nfs/dbraw/zinc/61/28/35/587612835.db2.gz VQJBJZPMAOSDBL-JTQLQIEISA-N 1 2 219.288 1.211 20 0 BDADLO COc1cccc2c1C[N@H+](CC1OCCO1)CC2 ZINC000831949033 587638145 /nfs/dbraw/zinc/63/81/45/587638145.db2.gz NXIMKEVVBWEMDI-UHFFFAOYSA-N 1 2 249.310 1.426 20 0 BDADLO COc1cccc2c1C[N@@H+](CC1OCCO1)CC2 ZINC000831949033 587638146 /nfs/dbraw/zinc/63/81/46/587638146.db2.gz NXIMKEVVBWEMDI-UHFFFAOYSA-N 1 2 249.310 1.426 20 0 BDADLO C[C@@H](O)C[N@H+](CCCCCCO)CC(F)F ZINC000832196259 587649521 /nfs/dbraw/zinc/64/95/21/587649521.db2.gz PYXXUVJDJPEPGF-SNVBAGLBSA-N 1 2 239.306 1.487 20 0 BDADLO C[C@@H](O)C[N@@H+](CCCCCCO)CC(F)F ZINC000832196259 587649522 /nfs/dbraw/zinc/64/95/22/587649522.db2.gz PYXXUVJDJPEPGF-SNVBAGLBSA-N 1 2 239.306 1.487 20 0 BDADLO C[C@H](CCC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000832309444 587653786 /nfs/dbraw/zinc/65/37/86/587653786.db2.gz YNQCGRKPNRJDGS-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1nonc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000832774808 587688282 /nfs/dbraw/zinc/68/82/82/587688282.db2.gz FLEBLCOHYQKBAO-KOLCDFICSA-N 1 2 237.303 1.235 20 0 BDADLO Cc1nonc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000832774808 587688283 /nfs/dbraw/zinc/68/82/83/587688283.db2.gz FLEBLCOHYQKBAO-KOLCDFICSA-N 1 2 237.303 1.235 20 0 BDADLO OCCC[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000832783648 587689276 /nfs/dbraw/zinc/68/92/76/587689276.db2.gz SNSCUPFZFSOZOT-QMMMGPOBSA-N 1 2 243.244 1.981 20 0 BDADLO OCCC[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000832783648 587689277 /nfs/dbraw/zinc/68/92/77/587689277.db2.gz SNSCUPFZFSOZOT-QMMMGPOBSA-N 1 2 243.244 1.981 20 0 BDADLO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000833277423 587704331 /nfs/dbraw/zinc/70/43/31/587704331.db2.gz CHKFCTYFGGEJMP-GMTAPVOTSA-N 1 2 233.315 1.880 20 0 BDADLO C[C@H](C[N@H+](CCn1cc[nH+]c1)C1CC1)C(=O)[O-] ZINC000833516404 587718202 /nfs/dbraw/zinc/71/82/02/587718202.db2.gz MSXVNBKJAVGZQA-SNVBAGLBSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H](C[N@@H+](CCn1cc[nH+]c1)C1CC1)C(=O)[O-] ZINC000833516404 587718204 /nfs/dbraw/zinc/71/82/04/587718204.db2.gz MSXVNBKJAVGZQA-SNVBAGLBSA-N 1 2 237.303 1.068 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCS1 ZINC000834642256 587762536 /nfs/dbraw/zinc/76/25/36/587762536.db2.gz BYLAZIAHRSMMDS-IUCAKERBSA-N 1 2 239.344 1.353 20 0 BDADLO CC[C@@H](CO)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000834840941 587768556 /nfs/dbraw/zinc/76/85/56/587768556.db2.gz YDHCRVKSTQWLCP-VIFPVBQESA-N 1 2 233.271 1.291 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CC1(F)F ZINC000835324784 587796329 /nfs/dbraw/zinc/79/63/29/587796329.db2.gz SXJXJQINLLPTKA-MRVPVSSYSA-N 1 2 230.214 1.161 20 0 BDADLO CCC[C@H](OC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835370375 587798551 /nfs/dbraw/zinc/79/85/51/587798551.db2.gz FYBSAJHETBAHOT-MNOVXSKESA-N 1 2 247.310 1.389 20 0 BDADLO CCC[C@H](OC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835370375 587798552 /nfs/dbraw/zinc/79/85/52/587798552.db2.gz FYBSAJHETBAHOT-MNOVXSKESA-N 1 2 247.310 1.389 20 0 BDADLO O=C(CSC1CC1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835371550 587798642 /nfs/dbraw/zinc/79/86/42/587798642.db2.gz OFHFMXXVANYTRN-VIFPVBQESA-N 1 2 247.335 1.469 20 0 BDADLO O=C(CSC1CC1)O[C@H]1CC[N@H+](CCF)C1 ZINC000835371550 587798643 /nfs/dbraw/zinc/79/86/43/587798643.db2.gz OFHFMXXVANYTRN-VIFPVBQESA-N 1 2 247.335 1.469 20 0 BDADLO O=C(NCCC1CCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836354346 587831477 /nfs/dbraw/zinc/83/14/77/587831477.db2.gz XSACKRMKYBDTIK-LLVKDONJSA-N 1 2 248.330 1.817 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOC1CCC1 ZINC000836484326 587834240 /nfs/dbraw/zinc/83/42/40/587834240.db2.gz OIKVZRWCCPBCDK-UHFFFAOYSA-N 1 2 221.260 1.418 20 0 BDADLO Cc1cc(C)c(CNC(=O)NOC(C)C)c[nH+]1 ZINC000836656941 587835647 /nfs/dbraw/zinc/83/56/47/587835647.db2.gz OSMWDNGYHDJPBC-UHFFFAOYSA-N 1 2 237.303 1.838 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)F ZINC000836950629 587843547 /nfs/dbraw/zinc/84/35/47/587843547.db2.gz SLMYPRJOXSKGOM-MRVPVSSYSA-N 1 2 227.283 1.828 20 0 BDADLO CCC1(C(=O)NCc2c[nH+]c(C)cc2C)COC1 ZINC000837104573 587853814 /nfs/dbraw/zinc/85/38/14/587853814.db2.gz GENTUVFWGJKOQB-UHFFFAOYSA-N 1 2 248.326 1.741 20 0 BDADLO C[NH+](C)Cc1csc(NC(=O)C(C)(F)F)n1 ZINC000837265913 587862509 /nfs/dbraw/zinc/86/25/09/587862509.db2.gz SLECQODFWGLRNG-UHFFFAOYSA-N 1 2 249.286 1.798 20 0 BDADLO O=C(OCCCn1cc[nH+]c1)c1ccncc1 ZINC000837338305 587867695 /nfs/dbraw/zinc/86/76/95/587867695.db2.gz XXCIKEXMLOPZBH-UHFFFAOYSA-N 1 2 231.255 1.525 20 0 BDADLO O=C(O[C@H]1CCOC1)c1ccc2[nH+]ccn2c1 ZINC000837515806 587879061 /nfs/dbraw/zinc/87/90/61/587879061.db2.gz UUBOVKMRCQOKNZ-JTQLQIEISA-N 1 2 232.239 1.280 20 0 BDADLO CC/C(C)=C(\C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000837715574 587892185 /nfs/dbraw/zinc/89/21/85/587892185.db2.gz CEUNGKICUJPPNN-ZHACJKMWSA-N 1 2 235.331 1.825 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=S)NC1CC1 ZINC000840809786 587922730 /nfs/dbraw/zinc/92/27/30/587922730.db2.gz JCRBKNSLVHBUIY-MRVPVSSYSA-N 1 2 238.360 1.591 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)nn1 ZINC000840935954 587930537 /nfs/dbraw/zinc/93/05/37/587930537.db2.gz CVJZWXTWJIYGEV-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)nn1 ZINC000840935954 587930538 /nfs/dbraw/zinc/93/05/38/587930538.db2.gz CVJZWXTWJIYGEV-BXKDBHETSA-N 1 2 223.295 1.965 20 0 BDADLO Cc1occc1C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000840942106 587931092 /nfs/dbraw/zinc/93/10/92/587931092.db2.gz SJFQUJURVULUNQ-QMMMGPOBSA-N 1 2 247.302 1.760 20 0 BDADLO C[C@H](O)CCO[NH+]=C(N)COc1ccccc1 ZINC000842020495 587989306 /nfs/dbraw/zinc/98/93/06/587989306.db2.gz JXPJCDDXTOVZEW-JTQLQIEISA-N 1 2 238.287 1.335 20 0 BDADLO C[C@@H](O)CCO[NH+]=C(N)Cc1ccccc1 ZINC000842022451 587989456 /nfs/dbraw/zinc/98/94/56/587989456.db2.gz UOYQUSFAJHSGDJ-SNVBAGLBSA-N 1 2 222.288 1.498 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCCOCC1CCC1 ZINC000842037276 587992128 /nfs/dbraw/zinc/99/21/28/587992128.db2.gz VTENPRBPORUCQL-VIFPVBQESA-N 1 2 230.308 1.336 20 0 BDADLO COC1(CO[NH+]=C(N)[C@H]2CCCO2)CCC1 ZINC000842046981 587992750 /nfs/dbraw/zinc/99/27/50/587992750.db2.gz IZXLOGOIYRESSK-SECBINFHSA-N 1 2 228.292 1.233 20 0 BDADLO NC(=[NH+]OCCC[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC000842650028 588048644 /nfs/dbraw/zinc/04/86/44/588048644.db2.gz IGZAOLVVCIKJPA-MNOVXSKESA-N 1 2 242.319 1.481 20 0 BDADLO NC(COC[C@@H]1CCCO1)=[NH+]OCCCCF ZINC000842655089 588049980 /nfs/dbraw/zinc/04/99/80/588049980.db2.gz BWFZNKOUMMBWDC-JTQLQIEISA-N 1 2 248.298 1.430 20 0 BDADLO COc1ncncc1C[NH2+]Cc1cccnc1F ZINC000842706016 588054672 /nfs/dbraw/zinc/05/46/72/588054672.db2.gz JVPJJOAXYFIFMQ-UHFFFAOYSA-N 1 2 248.261 1.309 20 0 BDADLO O=C(OCc1cccc2[nH+]ccn21)C1(F)CC1 ZINC000842739171 588057570 /nfs/dbraw/zinc/05/75/70/588057570.db2.gz LWUGLGVGHBYEIE-UHFFFAOYSA-N 1 2 234.230 1.880 20 0 BDADLO C[C@H](Nc1ccc2c(c1)nnn2C)c1[nH]cc[nH+]1 ZINC000842901367 588071309 /nfs/dbraw/zinc/07/13/09/588071309.db2.gz NGDBVIAJXLZYIG-QMMMGPOBSA-N 1 2 242.286 1.865 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2CC[C@H](CC)O2)n1 ZINC000843144488 588086433 /nfs/dbraw/zinc/08/64/33/588086433.db2.gz DOXFJEMKAXXJDD-DTWKUNHWSA-N 1 2 225.292 1.809 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@@H](CC)C2)n1 ZINC000843145134 588086636 /nfs/dbraw/zinc/08/66/36/588086636.db2.gz UVPGJLBNSHCQIO-ZJUUUORDSA-N 1 2 239.319 1.852 20 0 BDADLO CCS[C@@H](C)c1noc(C[NH2+]CCOC)n1 ZINC000843191988 588091852 /nfs/dbraw/zinc/09/18/52/588091852.db2.gz QBMHEKGUTPKUOJ-QMMMGPOBSA-N 1 2 245.348 1.620 20 0 BDADLO CC[C@@H](C)C[C@H]([NH2+]C1CC(OC)C1)C(=O)OC ZINC000843414907 588107466 /nfs/dbraw/zinc/10/74/66/588107466.db2.gz FMHNQLLSGNMKEJ-YYJSSNLHSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)nn1 ZINC000843432454 588109419 /nfs/dbraw/zinc/10/94/19/588109419.db2.gz MAADCKZYNSJKTR-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)nn1 ZINC000843432454 588109421 /nfs/dbraw/zinc/10/94/21/588109421.db2.gz MAADCKZYNSJKTR-GFCCVEGCSA-N 1 2 247.342 1.928 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)C1(C(F)F)CC1 ZINC000843601903 588128767 /nfs/dbraw/zinc/12/87/67/588128767.db2.gz PEFIPSHDLGHITE-SSDOTTSWSA-N 1 2 241.241 1.489 20 0 BDADLO COCC1(CC(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000843600767 588128830 /nfs/dbraw/zinc/12/88/30/588128830.db2.gz IXSOHLKDISXRKX-JTQLQIEISA-N 1 2 249.314 1.261 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CO1 ZINC000843729954 588135381 /nfs/dbraw/zinc/13/53/81/588135381.db2.gz QHCBXTUXBNOODA-VHSXEESVSA-N 1 2 245.282 1.242 20 0 BDADLO CN(C)c1ccc(CNC(=O)C2(F)CC2)c[nH+]1 ZINC000843764290 588138445 /nfs/dbraw/zinc/13/84/45/588138445.db2.gz LLDXWYDAPCFDGD-UHFFFAOYSA-N 1 2 237.278 1.266 20 0 BDADLO O=C([C@@H]1CCC(=O)C1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000843845956 588144754 /nfs/dbraw/zinc/14/47/54/588144754.db2.gz MZZWOBGKWCSOQL-MWLCHTKSSA-N 1 2 247.298 1.442 20 0 BDADLO O=C([C@H]1CCC(=O)C1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000843845957 588144855 /nfs/dbraw/zinc/14/48/55/588144855.db2.gz MZZWOBGKWCSOQL-ONGXEEELSA-N 1 2 247.298 1.442 20 0 BDADLO O=C(NCCC1CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844134918 588169682 /nfs/dbraw/zinc/16/96/82/588169682.db2.gz LDGIKMYARUGSDH-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO O=C(NOC1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844136553 588169688 /nfs/dbraw/zinc/16/96/88/588169688.db2.gz FSOZFRSIKOFESU-SNVBAGLBSA-N 1 2 249.314 1.436 20 0 BDADLO COCC(C)=CC(=O)Nc1cc[nH+]cc1C ZINC000844381566 588186937 /nfs/dbraw/zinc/18/69/37/588186937.db2.gz LCBIZAWIKFAUIT-TWGQIWQCSA-N 1 2 220.272 1.343 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CO)[C@H](C)CCC ZINC000844380946 588187075 /nfs/dbraw/zinc/18/70/75/588187075.db2.gz YMLYAZRFIZPZAW-WOPDTQHZSA-N 1 2 245.363 1.715 20 0 BDADLO O=C(CC[N@H+]1CCCC(F)(F)C1)N1CCCC1 ZINC000844374535 588188431 /nfs/dbraw/zinc/18/84/31/588188431.db2.gz AAUVXXCUFCTQBV-UHFFFAOYSA-N 1 2 246.301 1.730 20 0 BDADLO O=C(CC[N@@H+]1CCCC(F)(F)C1)N1CCCC1 ZINC000844374535 588188432 /nfs/dbraw/zinc/18/84/32/588188432.db2.gz AAUVXXCUFCTQBV-UHFFFAOYSA-N 1 2 246.301 1.730 20 0 BDADLO CN(C[C@@H]1CC=CCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867358009 588196922 /nfs/dbraw/zinc/19/69/22/588196922.db2.gz JVIMQFUGXJEFCP-PWSUYJOCSA-N 1 2 249.314 1.258 20 0 BDADLO C[C@H](CC(=O)NC[C@H]1CCC=CO1)n1cc[nH+]c1 ZINC000844489733 588199531 /nfs/dbraw/zinc/19/95/31/588199531.db2.gz KJNNYTNKLQTYGT-VXGBXAGGSA-N 1 2 249.314 1.643 20 0 BDADLO COC/C(C)=C/C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000844553664 588201994 /nfs/dbraw/zinc/20/19/94/588201994.db2.gz VMQPHNWGBQWSJT-TTZKWOQHSA-N 1 2 235.287 1.037 20 0 BDADLO CC[N@H+](Cn1nc(C)n(C)c1=O)C1CCCC1 ZINC000844684557 588213852 /nfs/dbraw/zinc/21/38/52/588213852.db2.gz HJNFEQMRZUYOIL-UHFFFAOYSA-N 1 2 238.335 1.112 20 0 BDADLO CC[N@@H+](Cn1nc(C)n(C)c1=O)C1CCCC1 ZINC000844684557 588213853 /nfs/dbraw/zinc/21/38/53/588213853.db2.gz HJNFEQMRZUYOIL-UHFFFAOYSA-N 1 2 238.335 1.112 20 0 BDADLO C[C@H](CC(=O)OCC(F)(F)F)n1cc[nH+]c1 ZINC000845279605 588225347 /nfs/dbraw/zinc/22/53/47/588225347.db2.gz DBISFUZFCZKOAJ-SSDOTTSWSA-N 1 2 236.193 1.940 20 0 BDADLO CCCC(C)(C)C(=O)OCC[NH+]1CCOCC1 ZINC000845356081 588227764 /nfs/dbraw/zinc/22/77/64/588227764.db2.gz DFHIQXAYFYRYJZ-UHFFFAOYSA-N 1 2 243.347 1.688 20 0 BDADLO CO[C@H](C)CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845478271 588229920 /nfs/dbraw/zinc/22/99/20/588229920.db2.gz ZPABADPFEKRADY-WDEREUQCSA-N 1 2 240.303 1.802 20 0 BDADLO C[C@H](CC(=O)OCc1nccn1C)n1cc[nH+]c1 ZINC000845495162 588230650 /nfs/dbraw/zinc/23/06/50/588230650.db2.gz UENKCUMUNQZMMO-SNVBAGLBSA-N 1 2 248.286 1.311 20 0 BDADLO COC[C@H](C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845518201 588231772 /nfs/dbraw/zinc/23/17/72/588231772.db2.gz GSRUJYXNWMEEPR-WDEREUQCSA-N 1 2 240.303 1.660 20 0 BDADLO CC(C)CONC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845859054 588248444 /nfs/dbraw/zinc/24/84/44/588248444.db2.gz AONCTDJJEZXDEY-SNVBAGLBSA-N 1 2 225.292 1.538 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cnccn2)[C@@H](C)CO1 ZINC000846043826 588254782 /nfs/dbraw/zinc/25/47/82/588254782.db2.gz DBXCGTARADNDCA-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cnccn2)[C@@H](C)CO1 ZINC000846043826 588254783 /nfs/dbraw/zinc/25/47/83/588254783.db2.gz DBXCGTARADNDCA-JQWIXIFHSA-N 1 2 221.304 1.476 20 0 BDADLO CCONC(=O)C[NH2+]CCCC(C)C ZINC000846083707 588255825 /nfs/dbraw/zinc/25/58/25/588255825.db2.gz ABBVGKSIKBJGSH-UHFFFAOYSA-N 1 2 202.298 1.080 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000846086295 588255827 /nfs/dbraw/zinc/25/58/27/588255827.db2.gz NSHVSWGISYALTE-NXEZZACHSA-N 1 2 228.336 1.468 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000846088111 588256014 /nfs/dbraw/zinc/25/60/14/588256014.db2.gz HBMYYYRQIYYYQX-QWRGUYRKSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000846089255 588256238 /nfs/dbraw/zinc/25/62/38/588256238.db2.gz QGDKFHWHYXLGNL-URLYPYJESA-N 1 2 228.336 1.468 20 0 BDADLO FC1(F)[C@H]2C[N@H+](Cc3cocn3)C[C@H]21 ZINC000846112807 588257230 /nfs/dbraw/zinc/25/72/30/588257230.db2.gz SSPQVUABQGFKST-OCAPTIKFSA-N 1 2 200.188 1.372 20 0 BDADLO FC1(F)[C@H]2C[N@@H+](Cc3cocn3)C[C@H]21 ZINC000846112807 588257231 /nfs/dbraw/zinc/25/72/31/588257231.db2.gz SSPQVUABQGFKST-OCAPTIKFSA-N 1 2 200.188 1.372 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000846116816 588257869 /nfs/dbraw/zinc/25/78/69/588257869.db2.gz KCVUDWRDLUAKAF-SNVBAGLBSA-N 1 2 242.273 1.529 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000846116816 588257870 /nfs/dbraw/zinc/25/78/70/588257870.db2.gz KCVUDWRDLUAKAF-SNVBAGLBSA-N 1 2 242.273 1.529 20 0 BDADLO CC(F)(F)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846248534 588262864 /nfs/dbraw/zinc/26/28/64/588262864.db2.gz XDYQJNJUIQRUDS-UHFFFAOYSA-N 1 2 217.219 1.416 20 0 BDADLO CC[NH+]1CCN(CC2(Br)CC2)CC1 ZINC000846768147 588287010 /nfs/dbraw/zinc/28/70/10/588287010.db2.gz DRHDECXKLHAVDP-UHFFFAOYSA-N 1 2 247.180 1.551 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1cnsn1 ZINC000846835501 588292003 /nfs/dbraw/zinc/29/20/03/588292003.db2.gz KJRABIFFIJYRDU-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1cnsn1 ZINC000846835501 588292004 /nfs/dbraw/zinc/29/20/04/588292004.db2.gz KJRABIFFIJYRDU-UHFFFAOYSA-N 1 2 234.328 1.608 20 0 BDADLO CN(CCCn1cc[nH+]c1)Cc1cnsn1 ZINC000846837530 588292101 /nfs/dbraw/zinc/29/21/01/588292101.db2.gz OGEKXEVPKTZHBY-UHFFFAOYSA-N 1 2 237.332 1.257 20 0 BDADLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838343 588292437 /nfs/dbraw/zinc/29/24/37/588292437.db2.gz YKRWDMYJZSGSLM-CBAPKCEASA-N 1 2 244.697 1.829 20 0 BDADLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846838343 588292438 /nfs/dbraw/zinc/29/24/38/588292438.db2.gz YKRWDMYJZSGSLM-CBAPKCEASA-N 1 2 244.697 1.829 20 0 BDADLO COC(=O)CC1([NH2+]Cc2cnsn2)CCC1 ZINC000846847533 588293223 /nfs/dbraw/zinc/29/32/23/588293223.db2.gz BAUGJYADZALLPE-UHFFFAOYSA-N 1 2 241.316 1.114 20 0 BDADLO CC[C@@]1(CO)CCC[N@H+](Cc2cnsn2)C1 ZINC000846859366 588293578 /nfs/dbraw/zinc/29/35/78/588293578.db2.gz UXWZJURWJNMODP-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO CC[C@@]1(CO)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846859366 588293579 /nfs/dbraw/zinc/29/35/79/588293579.db2.gz UXWZJURWJNMODP-LLVKDONJSA-N 1 2 241.360 1.523 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2cnsn2)[C@@H](C)C1 ZINC000846890744 588295468 /nfs/dbraw/zinc/29/54/68/588295468.db2.gz VSACWRRIDXIULO-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2cnsn2)[C@@H](C)C1 ZINC000846890744 588295469 /nfs/dbraw/zinc/29/54/69/588295469.db2.gz VSACWRRIDXIULO-WPRPVWTQSA-N 1 2 227.333 1.537 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000846958668 588298570 /nfs/dbraw/zinc/29/85/70/588298570.db2.gz JDZFCBHOEJUPMC-DCAQKATOSA-N 1 2 243.347 1.467 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846975417 588299410 /nfs/dbraw/zinc/29/94/10/588299410.db2.gz RGWYWONPXUVHIN-GMSGAONNSA-N 1 2 244.697 1.829 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846975417 588299411 /nfs/dbraw/zinc/29/94/11/588299411.db2.gz RGWYWONPXUVHIN-GMSGAONNSA-N 1 2 244.697 1.829 20 0 BDADLO CCc1noc(C)c1C[NH+]1CCN(OC)CC1 ZINC000846976666 588299838 /nfs/dbraw/zinc/29/98/38/588299838.db2.gz NBWYBCAWNYXHHW-UHFFFAOYSA-N 1 2 239.319 1.224 20 0 BDADLO CCOC[C@H]1CCCC[N@@H+]1Cc1cnsn1 ZINC000846992617 588300777 /nfs/dbraw/zinc/30/07/77/588300777.db2.gz PLVWWRNEUGDVPR-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO CCOC[C@H]1CCCC[N@H+]1Cc1cnsn1 ZINC000846992617 588300778 /nfs/dbraw/zinc/30/07/78/588300778.db2.gz PLVWWRNEUGDVPR-LLVKDONJSA-N 1 2 241.360 1.929 20 0 BDADLO CCCCOC(=O)C(C)(C)[NH2+]CCCOC ZINC000847058084 588305118 /nfs/dbraw/zinc/30/51/18/588305118.db2.gz NOQWFQYLEPSXQZ-UHFFFAOYSA-N 1 2 231.336 1.734 20 0 BDADLO CCO/C=C\C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000847437340 588313281 /nfs/dbraw/zinc/31/32/81/588313281.db2.gz LDJWDIPDBZJSNB-DJTUGOFGSA-N 1 2 249.314 1.597 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1CCC1 ZINC000847562052 588317115 /nfs/dbraw/zinc/31/71/15/588317115.db2.gz HKAQJKLKLXPXOK-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1CCC1 ZINC000847562052 588317116 /nfs/dbraw/zinc/31/71/16/588317116.db2.gz HKAQJKLKLXPXOK-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000847621881 588319167 /nfs/dbraw/zinc/31/91/67/588319167.db2.gz UUPVWBNYCWKWHN-UWVGGRQHSA-N 1 2 246.314 1.794 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000847621881 588319169 /nfs/dbraw/zinc/31/91/69/588319169.db2.gz UUPVWBNYCWKWHN-UWVGGRQHSA-N 1 2 246.314 1.794 20 0 BDADLO CCO/C=C\C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000847702562 588327091 /nfs/dbraw/zinc/32/70/91/588327091.db2.gz HBUZSUADFXJPSW-DAXSKMNVSA-N 1 2 235.287 1.084 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC=CO1 ZINC000847843327 588336369 /nfs/dbraw/zinc/33/63/69/588336369.db2.gz AZRSNINUXLTCLB-ZYHUDNBSSA-N 1 2 249.314 1.397 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC=CO1 ZINC000847843327 588336370 /nfs/dbraw/zinc/33/63/70/588336370.db2.gz AZRSNINUXLTCLB-ZYHUDNBSSA-N 1 2 249.314 1.397 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)c1cnsn1 ZINC000107293984 588346485 /nfs/dbraw/zinc/34/64/85/588346485.db2.gz QKEAIGOBOQXMSI-UHFFFAOYSA-N 1 2 220.257 1.494 20 0 BDADLO CO[C@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848386962 588375796 /nfs/dbraw/zinc/37/57/96/588375796.db2.gz CCFFXPFXNDVYCS-HTQZYQBOSA-N 1 2 211.265 1.012 20 0 BDADLO Cc1cnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)c1 ZINC000848386995 588376018 /nfs/dbraw/zinc/37/60/18/588376018.db2.gz DCZOIZQVLYRNEO-SNVBAGLBSA-N 1 2 244.298 1.913 20 0 BDADLO Cc1ncc(C[NH2+]Cc2cnc(Cl)n2C)o1 ZINC000848556064 588396968 /nfs/dbraw/zinc/39/69/68/588396968.db2.gz LMDHGCAJZUEYAJ-UHFFFAOYSA-N 1 2 240.694 1.660 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCC=CO1 ZINC000848686887 588406011 /nfs/dbraw/zinc/40/60/11/588406011.db2.gz LTZLBTJONQEITM-QMMMGPOBSA-N 1 2 236.275 1.172 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCC=CO1 ZINC000848686887 588406013 /nfs/dbraw/zinc/40/60/13/588406013.db2.gz LTZLBTJONQEITM-QMMMGPOBSA-N 1 2 236.275 1.172 20 0 BDADLO Cc1nc(NC[C@H]2CN(C3CC3)C(=O)O2)cc[nH+]1 ZINC000848793268 588413770 /nfs/dbraw/zinc/41/37/70/588413770.db2.gz LMWKEVCFTLMZHN-JTQLQIEISA-N 1 2 248.286 1.180 20 0 BDADLO CC(C)c1ccccc1C[N@@H+]1CCNC(=O)C1 ZINC000848877855 588416000 /nfs/dbraw/zinc/41/60/00/588416000.db2.gz UWSXLYRDDOMOFT-UHFFFAOYSA-N 1 2 232.327 1.742 20 0 BDADLO CC(C)c1ccccc1C[N@H+]1CCNC(=O)C1 ZINC000848877855 588416001 /nfs/dbraw/zinc/41/60/01/588416001.db2.gz UWSXLYRDDOMOFT-UHFFFAOYSA-N 1 2 232.327 1.742 20 0 BDADLO C[Si](C)(C)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000849136138 588453931 /nfs/dbraw/zinc/45/39/31/588453931.db2.gz OQRRZBCEUOBYPM-UHFFFAOYSA-N 1 2 238.411 1.751 20 0 BDADLO Cc1ccoc1CC(=O)OCCn1cc[nH+]c1 ZINC000849870205 588506763 /nfs/dbraw/zinc/50/67/63/588506763.db2.gz SECKRIBBHHETPE-UHFFFAOYSA-N 1 2 234.255 1.570 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000850071383 588518204 /nfs/dbraw/zinc/51/82/04/588518204.db2.gz QCFSNNWTEPJTDP-SNVBAGLBSA-N 1 2 222.288 1.863 20 0 BDADLO c1cc(C[NH2+]Cc2ccon2)n(CC2CC2)n1 ZINC000850171207 588523337 /nfs/dbraw/zinc/52/33/37/588523337.db2.gz ZYOFNRQCAKTMSX-UHFFFAOYSA-N 1 2 232.287 1.571 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)OCCCn2cc[nH+]c2)C1 ZINC000885575657 588538293 /nfs/dbraw/zinc/53/82/93/588538293.db2.gz FEXWKMRVVRKPMJ-QWRGUYRKSA-N 1 2 238.287 1.241 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850869082 588571726 /nfs/dbraw/zinc/57/17/26/588571726.db2.gz MASCORQXVODDMB-MYJAWHEDSA-N 1 2 220.272 1.509 20 0 BDADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1CC2(CC2)C1 ZINC000850998203 588583066 /nfs/dbraw/zinc/58/30/66/588583066.db2.gz NWHOXJTXUFCWIS-NSHDSACASA-N 1 2 241.306 1.764 20 0 BDADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1CC2(CC2)C1 ZINC000850998203 588583068 /nfs/dbraw/zinc/58/30/68/588583068.db2.gz NWHOXJTXUFCWIS-NSHDSACASA-N 1 2 241.306 1.764 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CCc2c[nH]nn2)no1 ZINC000851716488 588616483 /nfs/dbraw/zinc/61/64/83/588616483.db2.gz NHRLEYLPLCOVFR-GFCCVEGCSA-N 1 2 247.302 1.481 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CCc2c[nH]nn2)no1 ZINC000851716488 588616484 /nfs/dbraw/zinc/61/64/84/588616484.db2.gz NHRLEYLPLCOVFR-GFCCVEGCSA-N 1 2 247.302 1.481 20 0 BDADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)n1 ZINC000851721423 588617389 /nfs/dbraw/zinc/61/73/89/588617389.db2.gz KFCRXJPNKWVMPL-SNVBAGLBSA-N 1 2 237.278 1.061 20 0 BDADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)n1 ZINC000851721423 588617390 /nfs/dbraw/zinc/61/73/90/588617390.db2.gz KFCRXJPNKWVMPL-SNVBAGLBSA-N 1 2 237.278 1.061 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851726279 588617983 /nfs/dbraw/zinc/61/79/83/588617983.db2.gz NIHALISGTVALCT-DGCLKSJQSA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccccn2)CCO1 ZINC000851726279 588617984 /nfs/dbraw/zinc/61/79/84/588617984.db2.gz NIHALISGTVALCT-DGCLKSJQSA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cccc(F)n2)CCO1 ZINC000851725886 588618196 /nfs/dbraw/zinc/61/81/96/588618196.db2.gz HSFNHVHOZHKGGL-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cccc(F)n2)CCO1 ZINC000851725886 588618197 /nfs/dbraw/zinc/61/81/97/588618197.db2.gz HSFNHVHOZHKGGL-NSHDSACASA-N 1 2 224.279 1.832 20 0 BDADLO CC[N@@H+](Cc1cnon1)C[C@H]1CCCO1 ZINC000851739466 588621073 /nfs/dbraw/zinc/62/10/73/588621073.db2.gz BMPMEWGWMLIKQO-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO CC[N@H+](Cc1cnon1)C[C@H]1CCCO1 ZINC000851739466 588621074 /nfs/dbraw/zinc/62/10/74/588621074.db2.gz BMPMEWGWMLIKQO-SNVBAGLBSA-N 1 2 211.265 1.071 20 0 BDADLO OCCC[N@H+](Cc1cnon1)Cc1ccccc1 ZINC000851818014 588632946 /nfs/dbraw/zinc/63/29/46/588632946.db2.gz MZLRQLCFRGUXDA-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO OCCC[N@@H+](Cc1cnon1)Cc1ccccc1 ZINC000851818014 588632947 /nfs/dbraw/zinc/63/29/47/588632947.db2.gz MZLRQLCFRGUXDA-UHFFFAOYSA-N 1 2 247.298 1.454 20 0 BDADLO CN(C)c1cccc(C[N@H+](C)Cc2cnon2)c1 ZINC000851857832 588635942 /nfs/dbraw/zinc/63/59/42/588635942.db2.gz SNYCJVDOBNMLPF-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO CN(C)c1cccc(C[N@@H+](C)Cc2cnon2)c1 ZINC000851857832 588635943 /nfs/dbraw/zinc/63/59/43/588635943.db2.gz SNYCJVDOBNMLPF-UHFFFAOYSA-N 1 2 246.314 1.768 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851875777 588637956 /nfs/dbraw/zinc/63/79/56/588637956.db2.gz YIYXKGIWCBYOKD-ZCFIWIBFSA-N 1 2 221.182 1.454 20 0 BDADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851875777 588637957 /nfs/dbraw/zinc/63/79/57/588637957.db2.gz YIYXKGIWCBYOKD-ZCFIWIBFSA-N 1 2 221.182 1.454 20 0 BDADLO C[N@H+](CC[C@H](O)c1ccccc1)Cc1ncc[nH]1 ZINC000851873815 588638199 /nfs/dbraw/zinc/63/81/99/588638199.db2.gz PDMLXUHAKJYLST-ZDUSSCGKSA-N 1 2 245.326 1.965 20 0 BDADLO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1ncc[nH]1 ZINC000851873815 588638200 /nfs/dbraw/zinc/63/82/00/588638200.db2.gz PDMLXUHAKJYLST-ZDUSSCGKSA-N 1 2 245.326 1.965 20 0 BDADLO OCC[C@@H]([NH2+]Cc1cnon1)c1cccs1 ZINC000851925843 588644496 /nfs/dbraw/zinc/64/44/96/588644496.db2.gz CIGDWVJEKCFFDA-SECBINFHSA-N 1 2 239.300 1.344 20 0 BDADLO COCC[C@H]([NH2+]Cc1cnon1)c1ccco1 ZINC000851926144 588644526 /nfs/dbraw/zinc/64/45/26/588644526.db2.gz KBUVNPPOPTWXPO-JTQLQIEISA-N 1 2 237.259 1.530 20 0 BDADLO CCn1ncc(C[NH2+]C(C)(C)c2cnn(C)c2)n1 ZINC000851933131 588645015 /nfs/dbraw/zinc/64/50/15/588645015.db2.gz OFQUKHCCBBDLCM-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO c1nonc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000851970708 588649736 /nfs/dbraw/zinc/64/97/36/588649736.db2.gz JAWAPBUEIJPPMD-GFCCVEGCSA-N 1 2 237.303 1.461 20 0 BDADLO Nc1cccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000852016978 588655523 /nfs/dbraw/zinc/65/55/23/588655523.db2.gz PMYWYSFLMRFXKZ-LLVKDONJSA-N 1 2 242.269 1.735 20 0 BDADLO Nc1cccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000852016978 588655524 /nfs/dbraw/zinc/65/55/24/588655524.db2.gz PMYWYSFLMRFXKZ-LLVKDONJSA-N 1 2 242.269 1.735 20 0 BDADLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cnon1 ZINC000852044619 588657482 /nfs/dbraw/zinc/65/74/82/588657482.db2.gz HKUDRNHMFFEECP-UHFFFAOYSA-N 1 2 236.275 1.699 20 0 BDADLO CO[C@@H]1CC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC000852053965 588657785 /nfs/dbraw/zinc/65/77/85/588657785.db2.gz LLAHMSLYVPYROX-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO CO[C@@H]1CC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC000852053965 588657786 /nfs/dbraw/zinc/65/77/86/588657786.db2.gz LLAHMSLYVPYROX-VHSXEESVSA-N 1 2 235.274 1.521 20 0 BDADLO CO[C@H](C[NH2+][C@]1(C)CCOC1=O)C1CCC1 ZINC000852062465 588658695 /nfs/dbraw/zinc/65/86/95/588658695.db2.gz FTBCHUFRZKHTIM-ZYHUDNBSSA-N 1 2 227.304 1.097 20 0 BDADLO CO[C@@H](C[NH2+][C@@]1(C)CCOC1=O)C1CCCC1 ZINC000852062305 588658702 /nfs/dbraw/zinc/65/87/02/588658702.db2.gz CBKZAARQYBDHNV-AAEUAGOBSA-N 1 2 241.331 1.487 20 0 BDADLO COC[C@@H]1CCCC[N@@H+]1Cc1cnon1 ZINC000852148476 588667236 /nfs/dbraw/zinc/66/72/36/588667236.db2.gz YAWFDFNMSJGWKE-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO COC[C@@H]1CCCC[N@H+]1Cc1cnon1 ZINC000852148476 588667237 /nfs/dbraw/zinc/66/72/37/588667237.db2.gz YAWFDFNMSJGWKE-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO c1nonc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000852181423 588670129 /nfs/dbraw/zinc/67/01/29/588670129.db2.gz IOFOWOAWUXRWEV-UHFFFAOYSA-N 1 2 237.303 1.603 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CCC(=O)O2)n1 ZINC000852217840 588673785 /nfs/dbraw/zinc/67/37/85/588673785.db2.gz OMDSMJOXQOQOBG-CBAPKCEASA-N 1 2 239.275 1.076 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCC(=O)O2)n1 ZINC000852217840 588673786 /nfs/dbraw/zinc/67/37/86/588673786.db2.gz OMDSMJOXQOQOBG-CBAPKCEASA-N 1 2 239.275 1.076 20 0 BDADLO O=C(N[C@H]1C=CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000852265940 588675032 /nfs/dbraw/zinc/67/50/32/588675032.db2.gz GYKJFTPWYBNEAI-QWRGUYRKSA-N 1 2 246.314 1.216 20 0 BDADLO Cc1ccnc(CN(C)Cc2c[nH+]c[nH]2)n1 ZINC000852287810 588675884 /nfs/dbraw/zinc/67/58/84/588675884.db2.gz GLTAFOATOHFPRE-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO Cc1ccnc(CN(C)Cc2c[nH]c[nH+]2)n1 ZINC000852287810 588675885 /nfs/dbraw/zinc/67/58/85/588675885.db2.gz GLTAFOATOHFPRE-UHFFFAOYSA-N 1 2 217.276 1.140 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852288868 588676304 /nfs/dbraw/zinc/67/63/04/588676304.db2.gz UMKWGVXAIRSRCW-NSHDSACASA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852288868 588676305 /nfs/dbraw/zinc/67/63/05/588676305.db2.gz UMKWGVXAIRSRCW-NSHDSACASA-N 1 2 249.314 1.327 20 0 BDADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852288868 588676306 /nfs/dbraw/zinc/67/63/06/588676306.db2.gz UMKWGVXAIRSRCW-NSHDSACASA-N 1 2 249.314 1.327 20 0 BDADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000852288868 588676307 /nfs/dbraw/zinc/67/63/07/588676307.db2.gz UMKWGVXAIRSRCW-NSHDSACASA-N 1 2 249.314 1.327 20 0 BDADLO CC[C@H](NC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000852343921 588679097 /nfs/dbraw/zinc/67/90/97/588679097.db2.gz IRGVCBNROAHDOT-NSHDSACASA-N 1 2 236.319 1.408 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@H]2C[C@H]2C1 ZINC000852361553 588679822 /nfs/dbraw/zinc/67/98/22/588679822.db2.gz BEFRTSMBRNRMMR-GARJFASQSA-N 1 2 246.314 1.379 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H]1C=CCC1 ZINC000852371238 588680181 /nfs/dbraw/zinc/68/01/81/588680181.db2.gz DIMHLNUNHMQWAO-MNOVXSKESA-N 1 2 248.330 1.982 20 0 BDADLO COC(=O)/C(C)=C\C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000852473922 588683162 /nfs/dbraw/zinc/68/31/62/588683162.db2.gz IIVWWRPKBVIVIN-XFDQCWFDSA-N 1 2 239.315 1.263 20 0 BDADLO COCC[N@H+](CCF)Cc1ccc(F)cn1 ZINC000852481611 588684399 /nfs/dbraw/zinc/68/43/99/588684399.db2.gz OFIVLNXHFYCVPL-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COCC[N@@H+](CCF)Cc1ccc(F)cn1 ZINC000852481611 588684400 /nfs/dbraw/zinc/68/44/00/588684400.db2.gz OFIVLNXHFYCVPL-UHFFFAOYSA-N 1 2 230.258 1.639 20 0 BDADLO COCC[N@H+](CCF)[C@@H](C)C(=O)N(C)C(C)C ZINC000852483461 588684702 /nfs/dbraw/zinc/68/47/02/588684702.db2.gz KHTVFBWSSDUUNH-NSHDSACASA-N 1 2 248.342 1.160 20 0 BDADLO COCC[N@@H+](CCF)[C@@H](C)C(=O)N(C)C(C)C ZINC000852483461 588684703 /nfs/dbraw/zinc/68/47/03/588684703.db2.gz KHTVFBWSSDUUNH-NSHDSACASA-N 1 2 248.342 1.160 20 0 BDADLO COCC[N@H+](CCF)CC(=O)N[C@@H](C)C(C)C ZINC000852484492 588684891 /nfs/dbraw/zinc/68/48/91/588684891.db2.gz FUBHDYSUMNOVKB-NSHDSACASA-N 1 2 248.342 1.065 20 0 BDADLO COCC[N@@H+](CCF)CC(=O)N[C@@H](C)C(C)C ZINC000852484492 588684892 /nfs/dbraw/zinc/68/48/92/588684892.db2.gz FUBHDYSUMNOVKB-NSHDSACASA-N 1 2 248.342 1.065 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC000852584134 588691843 /nfs/dbraw/zinc/69/18/43/588691843.db2.gz JBGLGUAANGKJPW-RNFRBKRXSA-N 1 2 241.228 1.780 20 0 BDADLO Cn1ncc(C[NH+]2CCC3(CCCC3=O)CC2)n1 ZINC000852630478 588693073 /nfs/dbraw/zinc/69/30/73/588693073.db2.gz FHVZKCMHOBZNDW-UHFFFAOYSA-N 1 2 248.330 1.150 20 0 BDADLO CCC(=O)CC[N@@H+]1CCc2nccnc2C1 ZINC000852698390 588696741 /nfs/dbraw/zinc/69/67/41/588696741.db2.gz QBRPMRGFTCTFDR-UHFFFAOYSA-N 1 2 219.288 1.204 20 0 BDADLO CCC(=O)CC[N@H+]1CCc2nccnc2C1 ZINC000852698390 588696742 /nfs/dbraw/zinc/69/67/42/588696742.db2.gz QBRPMRGFTCTFDR-UHFFFAOYSA-N 1 2 219.288 1.204 20 0 BDADLO Cc1oncc1C[N@@H+]1CCc2nccnc2C1 ZINC000852698765 588696776 /nfs/dbraw/zinc/69/67/76/588696776.db2.gz YAXSIHNEBGNQNB-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1oncc1C[N@H+]1CCc2nccnc2C1 ZINC000852698765 588696777 /nfs/dbraw/zinc/69/67/77/588696777.db2.gz YAXSIHNEBGNQNB-UHFFFAOYSA-N 1 2 230.271 1.331 20 0 BDADLO Cc1conc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000861200341 589149700 /nfs/dbraw/zinc/14/97/00/589149700.db2.gz SZWXTRQXPREPMY-SNVBAGLBSA-N 1 2 249.270 1.874 20 0 BDADLO C[C@@H]1C[C@H](C(=O)OCC[NH+]2CCC2)CCC1=O ZINC000861388465 589162347 /nfs/dbraw/zinc/16/23/47/589162347.db2.gz KWUBMMCXDPYFKX-GHMZBOCLSA-N 1 2 239.315 1.241 20 0 BDADLO C[C@H]1SCC[N@H+](CN2CCSC2=O)[C@@H]1C ZINC000118382832 589169430 /nfs/dbraw/zinc/16/94/30/589169430.db2.gz NKAFEICHGCLTFE-RKDXNWHRSA-N 1 2 246.401 1.939 20 0 BDADLO C[C@H]1SCC[N@@H+](CN2CCSC2=O)[C@@H]1C ZINC000118382832 589169432 /nfs/dbraw/zinc/16/94/32/589169432.db2.gz NKAFEICHGCLTFE-RKDXNWHRSA-N 1 2 246.401 1.939 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1C=CCC1)CC2 ZINC000862172514 589193492 /nfs/dbraw/zinc/19/34/92/589193492.db2.gz AFFJTUAKBLXUCG-RYUDHWBXSA-N 1 2 245.326 1.589 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C=CCC1)CC2 ZINC000862172513 589193592 /nfs/dbraw/zinc/19/35/92/589193592.db2.gz AFFJTUAKBLXUCG-NWDGAFQWSA-N 1 2 245.326 1.589 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCOC[C@H](C)C2)n1 ZINC000862247390 589196734 /nfs/dbraw/zinc/19/67/34/589196734.db2.gz UCUFMQBAIOYWGJ-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCOC[C@H](C)C2)n1 ZINC000862247390 589196735 /nfs/dbraw/zinc/19/67/35/589196735.db2.gz UCUFMQBAIOYWGJ-SECBINFHSA-N 1 2 209.293 1.186 20 0 BDADLO COc1cc(COCc2[nH]cc[nH+]2)on1 ZINC000863314903 589278773 /nfs/dbraw/zinc/27/87/73/589278773.db2.gz CRXZNDYHAQMRHB-UHFFFAOYSA-N 1 2 209.205 1.123 20 0 BDADLO COC1CC(O[NH+]=C(N)Cc2ccccc2)C1 ZINC000863452995 589288212 /nfs/dbraw/zinc/28/82/12/589288212.db2.gz DHKOIXBEDALESA-UHFFFAOYSA-N 1 2 234.299 1.905 20 0 BDADLO CCOC1CC(O[NH+]=C(N)Cc2cccnc2)C1 ZINC000863460714 589290240 /nfs/dbraw/zinc/29/02/40/589290240.db2.gz JJMPLDLCODEHPE-UHFFFAOYSA-N 1 2 249.314 1.690 20 0 BDADLO COC(=O)CCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000863472687 589291276 /nfs/dbraw/zinc/29/12/76/589291276.db2.gz MKHQFSIODDLQHX-VIFPVBQESA-N 1 2 244.291 1.007 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)OCC(F)(F)F ZINC000864091188 589343576 /nfs/dbraw/zinc/34/35/76/589343576.db2.gz PDXUXHXYKHNOFI-UHFFFAOYSA-N 1 2 249.192 1.452 20 0 BDADLO C[C@H](O)c1cccc(N[C@@H]2C[C@@H](O)C23CCC3)[nH+]1 ZINC000864093390 589344533 /nfs/dbraw/zinc/34/45/33/589344533.db2.gz PDVZOOXYLWIXIY-MVWJERBFSA-N 1 2 248.326 1.850 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864407870 589359530 /nfs/dbraw/zinc/35/95/30/589359530.db2.gz GCZPTFORQAUZRQ-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864407870 589359531 /nfs/dbraw/zinc/35/95/31/589359531.db2.gz GCZPTFORQAUZRQ-JTQLQIEISA-N 1 2 248.317 1.832 20 0 BDADLO O=C(NC1=[NH+]CCS1)[C@@]12C[C@@H]1CCCC2 ZINC000864603989 589382477 /nfs/dbraw/zinc/38/24/77/589382477.db2.gz MIXOBNBTKOGRDV-KWQFWETISA-N 1 2 224.329 1.786 20 0 BDADLO C[C@H](N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)(C)C ZINC000864777014 589394050 /nfs/dbraw/zinc/39/40/50/589394050.db2.gz HUJFATFUNUOTJK-WCBMZHEXSA-N 1 2 239.319 1.336 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1C1CCC1 ZINC000865149107 589411464 /nfs/dbraw/zinc/41/14/64/589411464.db2.gz BMWPRDYSFGYNIZ-NWDGAFQWSA-N 1 2 249.314 1.234 20 0 BDADLO CC(C)(C)c1cn(CCC2OCCO2)c[nH+]1 ZINC000865376175 589428414 /nfs/dbraw/zinc/42/84/14/589428414.db2.gz CNICVEDVCQLBKO-UHFFFAOYSA-N 1 2 224.304 1.944 20 0 BDADLO CC(C)(C)c1cn(CCn2cncn2)c[nH+]1 ZINC000865375654 589428440 /nfs/dbraw/zinc/42/84/40/589428440.db2.gz KDZSNONXRMULLJ-UHFFFAOYSA-N 1 2 219.292 1.472 20 0 BDADLO CC(C)Cc1cc(NCCCO)nc[nH+]1 ZINC000865397105 589431958 /nfs/dbraw/zinc/43/19/58/589431958.db2.gz CILURLHFLJZVAZ-UHFFFAOYSA-N 1 2 209.293 1.469 20 0 BDADLO CC(C)Cc1cc(NC[C@H](O)C2CC2)nc[nH+]1 ZINC000865506821 589442486 /nfs/dbraw/zinc/44/24/86/589442486.db2.gz UZEFDUJSSCWCLA-LBPRGKRZSA-N 1 2 235.331 1.858 20 0 BDADLO Cc1cc(C[NH2+]Cc2cn(C3CC3)cn2)ncn1 ZINC000865511684 589442988 /nfs/dbraw/zinc/44/29/88/589442988.db2.gz JOBFPKXPUCJEIL-UHFFFAOYSA-N 1 2 243.314 1.606 20 0 BDADLO CC[C@H](C)[C@H](O)CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865534575 589444415 /nfs/dbraw/zinc/44/44/15/589444415.db2.gz AWOCNMRDSFAOJD-JBLDHEPKSA-N 1 2 238.331 1.954 20 0 BDADLO Cn1ncc2cc(C[NH2+]CC(F)F)cnc21 ZINC000865564720 589447030 /nfs/dbraw/zinc/44/70/30/589447030.db2.gz OTEJHULODJCDIS-UHFFFAOYSA-N 1 2 226.230 1.323 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)C1CC2(CSC2)C1 ZINC000865574625 589447862 /nfs/dbraw/zinc/44/78/62/589447862.db2.gz APUCECMYWKXCDZ-UHFFFAOYSA-N 1 2 248.351 1.894 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ccc(F)nn1 ZINC000865622091 589452211 /nfs/dbraw/zinc/45/22/11/589452211.db2.gz LFPGUFNSOCKWOS-UHFFFAOYSA-N 1 2 235.266 1.339 20 0 BDADLO C/C=C\C[C@H](CO)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865682523 589455810 /nfs/dbraw/zinc/45/58/10/589455810.db2.gz GOBITCHEQBQTRF-OIFMLDNNSA-N 1 2 236.315 1.874 20 0 BDADLO C[C@H](O)c1ccc(N(C)CC2(O)CCC2)[nH+]c1 ZINC000865677809 589455825 /nfs/dbraw/zinc/45/58/25/589455825.db2.gz LIAXIJLULSQRDV-JTQLQIEISA-N 1 2 236.315 1.486 20 0 BDADLO CC[C@]1(O)CCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865690679 589456068 /nfs/dbraw/zinc/45/60/68/589456068.db2.gz LIDXVEHNEJNCOC-GWCFXTLKSA-N 1 2 236.315 1.486 20 0 BDADLO C[C@H](O)c1ccc(N[C@H]2C[C@@H](O)C2)[nH+]c1 ZINC000865862897 589465953 /nfs/dbraw/zinc/46/59/53/589465953.db2.gz SSYCGJYPOIHVRF-UJNFCWOMSA-N 1 2 208.261 1.070 20 0 BDADLO C[C@H](C(=O)OC1CCCC1)[NH+]1CCSCC1 ZINC000120793102 589466313 /nfs/dbraw/zinc/46/63/13/589466313.db2.gz AAKDTHIKJOEJDQ-SNVBAGLBSA-N 1 2 243.372 1.910 20 0 BDADLO Clc1cc2c(nc[nH+]c2N[C@H]2CC23CC3)[nH]1 ZINC000865889313 589467520 /nfs/dbraw/zinc/46/75/20/589467520.db2.gz JEVNQIHYMVJAGC-ZETCQYMHSA-N 1 2 234.690 1.998 20 0 BDADLO CC(=O)N1CC[C@@H](Nc2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865961335 589470349 /nfs/dbraw/zinc/47/03/49/589470349.db2.gz CLFPAPKLPDIRTJ-JOYOIKCWSA-N 1 2 249.314 1.168 20 0 BDADLO CCOCCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000865992550 589471813 /nfs/dbraw/zinc/47/18/13/589471813.db2.gz GRSGWCGKMBTXQQ-UHFFFAOYSA-N 1 2 239.319 1.623 20 0 BDADLO CCOCCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000865992550 589471814 /nfs/dbraw/zinc/47/18/14/589471814.db2.gz GRSGWCGKMBTXQQ-UHFFFAOYSA-N 1 2 239.319 1.623 20 0 BDADLO CO[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]cn2)C1 ZINC000866074051 589475099 /nfs/dbraw/zinc/47/50/99/589475099.db2.gz XVYHXNUGCHRGOI-WDEREUQCSA-N 1 2 221.304 1.789 20 0 BDADLO CCc1cc(NC2CC(C(=O)OC)C2)nc[nH+]1 ZINC000866168958 589478894 /nfs/dbraw/zinc/47/88/94/589478894.db2.gz JHGJQUTYJLFDSK-UHFFFAOYSA-N 1 2 235.287 1.403 20 0 BDADLO COC(=O)C1CC(Nc2cc(C)[nH+]cn2)C1 ZINC000866169068 589478905 /nfs/dbraw/zinc/47/89/05/589478905.db2.gz NTSLHBCZBQGATH-UHFFFAOYSA-N 1 2 221.260 1.149 20 0 BDADLO CC[C@@H](C)CN(CC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866338118 589487091 /nfs/dbraw/zinc/48/70/91/589487091.db2.gz XOFYEYBIFMSDLB-KOLCDFICSA-N 1 2 239.319 1.338 20 0 BDADLO Nc1ccc2c(c1)OCC[N@@H+](Cc1ccno1)C2 ZINC000866689954 589512158 /nfs/dbraw/zinc/51/21/58/589512158.db2.gz RHHLAIHXDYLIJN-UHFFFAOYSA-N 1 2 245.282 1.651 20 0 BDADLO Nc1ccc2c(c1)OCC[N@H+](Cc1ccno1)C2 ZINC000866689954 589512160 /nfs/dbraw/zinc/51/21/60/589512160.db2.gz RHHLAIHXDYLIJN-UHFFFAOYSA-N 1 2 245.282 1.651 20 0 BDADLO CC/C=C(\F)C(=O)NC1C[NH+](C(C)C)C1 ZINC000867523453 589524411 /nfs/dbraw/zinc/52/44/11/589524411.db2.gz CCZNUDIYFLBDRU-YHYXMXQVSA-N 1 2 214.284 1.459 20 0 BDADLO COC[C@H](C)OC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000867533646 589524901 /nfs/dbraw/zinc/52/49/01/589524901.db2.gz OSYRXUBWNDOAKD-IUCAKERBSA-N 1 2 241.291 1.242 20 0 BDADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)OCCF ZINC000867714308 589531725 /nfs/dbraw/zinc/53/17/25/589531725.db2.gz ZXVQEDBEKLASBC-VIFPVBQESA-N 1 2 236.262 1.116 20 0 BDADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)OCCF ZINC000867714308 589531727 /nfs/dbraw/zinc/53/17/27/589531727.db2.gz ZXVQEDBEKLASBC-VIFPVBQESA-N 1 2 236.262 1.116 20 0 BDADLO CCN(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867796023 589534562 /nfs/dbraw/zinc/53/45/62/589534562.db2.gz VIDILMZUIWAAPJ-ZDUSSCGKSA-N 1 2 247.342 1.834 20 0 BDADLO CCN(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867796023 589534564 /nfs/dbraw/zinc/53/45/64/589534564.db2.gz VIDILMZUIWAAPJ-ZDUSSCGKSA-N 1 2 247.342 1.834 20 0 BDADLO COCC1=CCN(c2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000122043189 589551084 /nfs/dbraw/zinc/55/10/84/589551084.db2.gz PQEVXIXRFZPTQS-LLVKDONJSA-N 1 2 248.326 1.918 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000868264825 589553234 /nfs/dbraw/zinc/55/32/34/589553234.db2.gz WTMZVAZXIDNOQY-XXVIQQQLSA-N 1 2 237.278 1.578 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1cccn1C ZINC000868324668 589554934 /nfs/dbraw/zinc/55/49/34/589554934.db2.gz OBFDANYIQPVSEX-UHFFFAOYSA-N 1 2 247.302 1.090 20 0 BDADLO CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H](C)C(C)C ZINC000868432154 589558122 /nfs/dbraw/zinc/55/81/22/589558122.db2.gz ZREYEPGNIJOFFQ-GXSJLCMTSA-N 1 2 239.319 1.336 20 0 BDADLO C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccc[nH]1 ZINC000868450888 589558681 /nfs/dbraw/zinc/55/86/81/589558681.db2.gz LUBWSKYKOBSOEM-VIFPVBQESA-N 1 2 247.302 1.640 20 0 BDADLO CCCC[C@@H](C)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868467384 589559536 /nfs/dbraw/zinc/55/95/36/589559536.db2.gz JDYYBHQIVPSULM-KOLCDFICSA-N 1 2 239.319 1.480 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000868662954 589571276 /nfs/dbraw/zinc/57/12/76/589571276.db2.gz WDZSZKHXXJFTPW-NNYUYHANSA-N 1 2 247.342 1.811 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000868697533 589573490 /nfs/dbraw/zinc/57/34/90/589573490.db2.gz BVLVQOJHRFWBJZ-RRHFRXRFSA-N 1 2 223.251 1.187 20 0 BDADLO CC/C=C(\F)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000869301870 589597072 /nfs/dbraw/zinc/59/70/72/589597072.db2.gz MSRFIJONILAHFC-CPJBWDMUSA-N 1 2 225.267 1.861 20 0 BDADLO CC(=O)Oc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000122599148 589606705 /nfs/dbraw/zinc/60/67/05/589606705.db2.gz MSIUFQXPDBYSKV-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCSC2)c[nH+]1 ZINC000869603612 589615875 /nfs/dbraw/zinc/61/58/75/589615875.db2.gz BOKKJDOPHVKLFI-SECBINFHSA-N 1 2 239.344 1.591 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)[C@H](C)OC)c1 ZINC000122783233 589631843 /nfs/dbraw/zinc/63/18/43/589631843.db2.gz TVBXUSZHFSEWRC-VIFPVBQESA-N 1 2 239.271 1.477 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccnc(F)c1 ZINC000871006415 589709382 /nfs/dbraw/zinc/70/93/82/589709382.db2.gz KPGVIDAAVXEAHM-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccnc(F)c1 ZINC000871006415 589709385 /nfs/dbraw/zinc/70/93/85/589709385.db2.gz KPGVIDAAVXEAHM-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000871748673 589804140 /nfs/dbraw/zinc/80/41/40/589804140.db2.gz MXKZBHPKFPYVCH-GUBZILKMSA-N 1 2 228.292 1.089 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)COC1CCC1 ZINC000871778302 589814143 /nfs/dbraw/zinc/81/41/43/589814143.db2.gz BPDSUUQEEWAONB-QMMMGPOBSA-N 1 2 216.281 1.089 20 0 BDADLO CO[C@@H]1CC[C@@H]1N(C)C(=O)CNc1cccc[nH+]1 ZINC000889324187 589819990 /nfs/dbraw/zinc/81/99/90/589819990.db2.gz GPJGFKCOADUPBW-WDEREUQCSA-N 1 2 249.314 1.129 20 0 BDADLO C[N@@H+](Cc1cscn1)C[C@H](O)CC(C)(C)O ZINC000871975124 589848738 /nfs/dbraw/zinc/84/87/38/589848738.db2.gz VNRVJEVNXGITSP-SNVBAGLBSA-N 1 2 244.360 1.097 20 0 BDADLO C[N@H+](Cc1cscn1)C[C@H](O)CC(C)(C)O ZINC000871975124 589848740 /nfs/dbraw/zinc/84/87/40/589848740.db2.gz VNRVJEVNXGITSP-SNVBAGLBSA-N 1 2 244.360 1.097 20 0 BDADLO CCOC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989935 589854527 /nfs/dbraw/zinc/85/45/27/589854527.db2.gz UVODUZKIBYFIHQ-JTQLQIEISA-N 1 2 226.320 1.578 20 0 BDADLO Cc1nonc1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000872136444 589879307 /nfs/dbraw/zinc/87/93/07/589879307.db2.gz LLSCJGCFYBNCFF-GFCCVEGCSA-N 1 2 244.298 1.940 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872279928 589905356 /nfs/dbraw/zinc/90/53/56/589905356.db2.gz MXOADRZUGHEOPG-YPMHNXCESA-N 1 2 249.314 1.088 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872279928 589905358 /nfs/dbraw/zinc/90/53/58/589905358.db2.gz MXOADRZUGHEOPG-YPMHNXCESA-N 1 2 249.314 1.088 20 0 BDADLO O=C1N(C[N@H+]2CC[C@H](F)C2)C[C@@H]2CCCCN12 ZINC000872616108 589956797 /nfs/dbraw/zinc/95/67/97/589956797.db2.gz ZGBLDZMBKMYUBV-QWRGUYRKSA-N 1 2 241.310 1.278 20 0 BDADLO O=C1N(C[N@@H+]2CC[C@H](F)C2)C[C@@H]2CCCCN12 ZINC000872616108 589956799 /nfs/dbraw/zinc/95/67/99/589956799.db2.gz ZGBLDZMBKMYUBV-QWRGUYRKSA-N 1 2 241.310 1.278 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)Cn2cnnc2)c1C ZINC000872631427 589957634 /nfs/dbraw/zinc/95/76/34/589957634.db2.gz UOVBESFUIMXZFU-UHFFFAOYSA-N 1 2 248.334 1.201 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)Cn2cnnc2)c1C ZINC000872631427 589957636 /nfs/dbraw/zinc/95/76/36/589957636.db2.gz UOVBESFUIMXZFU-UHFFFAOYSA-N 1 2 248.334 1.201 20 0 BDADLO CCOC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000124182138 589958814 /nfs/dbraw/zinc/95/88/14/589958814.db2.gz QHTZTGQMVYRYCE-UHFFFAOYSA-N 1 2 217.228 1.444 20 0 BDADLO CCOC(=O)[C@@H](C)C1CN(c2cc(C)[nH+]cn2)C1 ZINC000872772141 589967693 /nfs/dbraw/zinc/96/76/93/589967693.db2.gz JLINITZFYDQZOX-JTQLQIEISA-N 1 2 249.314 1.420 20 0 BDADLO Cc1nonc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000873196577 589991354 /nfs/dbraw/zinc/99/13/54/589991354.db2.gz PXNGFYRFBJNGRJ-UHFFFAOYSA-N 1 2 245.286 1.335 20 0 BDADLO CCn1ncc(NCc2c[nH+]cn2C)c1C ZINC000873195250 589991359 /nfs/dbraw/zinc/99/13/59/589991359.db2.gz BQDZXFGYHAADMC-UHFFFAOYSA-N 1 2 219.292 1.557 20 0 BDADLO CONC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000873946415 590080145 /nfs/dbraw/zinc/08/01/45/590080145.db2.gz QVYZTLGBYRPWTC-LURJTMIESA-N 1 2 237.181 1.054 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CCC2 ZINC000874781629 590132666 /nfs/dbraw/zinc/13/26/66/590132666.db2.gz XKECNRUUHFNNSD-JTQLQIEISA-N 1 2 219.288 1.021 20 0 BDADLO CCn1ncc(NC(=O)CCn2cc[nH+]c2)c1C ZINC000874817563 590140819 /nfs/dbraw/zinc/14/08/19/590140819.db2.gz BFXKCMMEEYCTQB-UHFFFAOYSA-N 1 2 247.302 1.437 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC(F)(F)C1 ZINC000874852503 590147148 /nfs/dbraw/zinc/14/71/48/590147148.db2.gz AVZPMEPFGHNCTB-UHFFFAOYSA-N 1 2 243.257 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC1(C)CC(F)(F)C1 ZINC000874852503 590147149 /nfs/dbraw/zinc/14/71/49/590147149.db2.gz AVZPMEPFGHNCTB-UHFFFAOYSA-N 1 2 243.257 1.565 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCC2(CC2)C1 ZINC000888690137 590180360 /nfs/dbraw/zinc/18/03/60/590180360.db2.gz VXHVSCPBBNDGEA-JTQLQIEISA-N 1 2 233.315 1.791 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N[C@H]1CCCC2(CC2)C1 ZINC000888690137 590180361 /nfs/dbraw/zinc/18/03/61/590180361.db2.gz VXHVSCPBBNDGEA-JTQLQIEISA-N 1 2 233.315 1.791 20 0 BDADLO C[C@@H]1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)CO1 ZINC000888712526 590192708 /nfs/dbraw/zinc/19/27/08/590192708.db2.gz DUHOVCDITHHQBJ-CBZQXFMTSA-N 1 2 249.314 1.026 20 0 BDADLO C[C@@H]1CC2(CC(NC(=O)Cc3c[nH+]c[nH]3)C2)CO1 ZINC000888712526 590192709 /nfs/dbraw/zinc/19/27/09/590192709.db2.gz DUHOVCDITHHQBJ-CBZQXFMTSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(N[C@H]1CC12CCC2)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000876421672 590197908 /nfs/dbraw/zinc/19/79/08/590197908.db2.gz VRTPZQZGFAEMKE-KOLCDFICSA-N 1 2 246.314 1.050 20 0 BDADLO CC1=C(C(=O)Nc2ccc(N)[nH+]c2)CCCO1 ZINC000876523521 590207713 /nfs/dbraw/zinc/20/77/13/590207713.db2.gz YWJJBUANZLXGHF-UHFFFAOYSA-N 1 2 233.271 1.687 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)CCO1 ZINC000876555900 590214937 /nfs/dbraw/zinc/21/49/37/590214937.db2.gz HKAMTEHVWGDCHY-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)CCO1 ZINC000876555900 590214939 /nfs/dbraw/zinc/21/49/39/590214939.db2.gz HKAMTEHVWGDCHY-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO O[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876590562 590219556 /nfs/dbraw/zinc/21/95/56/590219556.db2.gz XONJNZZRRQUCSO-LURJTMIESA-N 1 2 218.709 1.363 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876590562 590219557 /nfs/dbraw/zinc/21/95/57/590219557.db2.gz XONJNZZRRQUCSO-LURJTMIESA-N 1 2 218.709 1.363 20 0 BDADLO CCCn1cc(C[N@@H+]2CCSC[C@@H]2C)nn1 ZINC000876736333 590234700 /nfs/dbraw/zinc/23/47/00/590234700.db2.gz JNLOZEZWUAGFMP-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO CCCn1cc(C[N@H+]2CCSC[C@@H]2C)nn1 ZINC000876736333 590234701 /nfs/dbraw/zinc/23/47/01/590234701.db2.gz JNLOZEZWUAGFMP-JTQLQIEISA-N 1 2 240.376 1.625 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cccc(F)n1 ZINC000877115991 590288163 /nfs/dbraw/zinc/28/81/63/590288163.db2.gz ZIBHEGDCVWMWNS-UHFFFAOYSA-N 1 2 238.291 1.670 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cccc(F)c2N)n1 ZINC000877126228 590290044 /nfs/dbraw/zinc/29/00/44/590290044.db2.gz ZOXLVLXQLQACRC-UHFFFAOYSA-N 1 2 234.278 1.431 20 0 BDADLO OCC(F)(F)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877394704 590322957 /nfs/dbraw/zinc/32/29/57/590322957.db2.gz TYWBYRPSYWTHPY-YFKPBYRVSA-N 1 2 234.073 1.397 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000877471306 590334787 /nfs/dbraw/zinc/33/47/87/590334787.db2.gz RFUXLBJAZDYSEF-WHXUTIOJSA-N 1 2 237.303 1.128 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877492732 590340061 /nfs/dbraw/zinc/34/00/61/590340061.db2.gz QWAHCGBAVWTPOH-GFCCVEGCSA-N 1 2 235.327 1.997 20 0 BDADLO Clc1ccc(C[NH+]2CC(C3CC3)C2)nn1 ZINC000877542578 590352231 /nfs/dbraw/zinc/35/22/31/590352231.db2.gz UHJIBCAARWSAPO-UHFFFAOYSA-N 1 2 223.707 1.972 20 0 BDADLO COC[C@H]1CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000877549518 590354318 /nfs/dbraw/zinc/35/43/18/590354318.db2.gz FGRSPVNEELNZFZ-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO COC[C@H]1CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000877549518 590354319 /nfs/dbraw/zinc/35/43/19/590354319.db2.gz FGRSPVNEELNZFZ-SECBINFHSA-N 1 2 227.695 1.351 20 0 BDADLO OCc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000877556032 590356061 /nfs/dbraw/zinc/35/60/61/590356061.db2.gz JITNWAKOGBAJPY-UHFFFAOYSA-N 1 2 215.243 1.576 20 0 BDADLO CC[C@@H]([NH2+]Cc1nc(Cl)cs1)C(=O)NC ZINC000877575948 590363636 /nfs/dbraw/zinc/36/36/36/590363636.db2.gz FUPSEIUOOHITRW-ZCFIWIBFSA-N 1 2 247.751 1.411 20 0 BDADLO CC1(O)C[NH+](Cc2cncc3ccccc32)C1 ZINC000877581320 590365418 /nfs/dbraw/zinc/36/54/18/590365418.db2.gz WYNVIYKVQCBDTI-UHFFFAOYSA-N 1 2 228.295 1.801 20 0 BDADLO CC1(O)C[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000877581261 590365484 /nfs/dbraw/zinc/36/54/84/590365484.db2.gz SQZMXFCZLCMQJK-ZCFIWIBFSA-N 1 2 210.104 1.247 20 0 BDADLO CCCn1cc(C[NH+]2CC(CC(F)F)C2)nn1 ZINC000877598300 590370753 /nfs/dbraw/zinc/37/07/53/590370753.db2.gz DAMWRYHEDPTCRO-UHFFFAOYSA-N 1 2 244.289 1.775 20 0 BDADLO CCONC(=O)C[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000877613883 590373471 /nfs/dbraw/zinc/37/34/71/590373471.db2.gz RYXFVXLVIQJSEQ-NXEZZACHSA-N 1 2 228.336 1.468 20 0 BDADLO Cn1ncc2c1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000877633020 590379171 /nfs/dbraw/zinc/37/91/71/590379171.db2.gz WCCZGXXAXYFAJP-SNVBAGLBSA-N 1 2 221.304 1.162 20 0 BDADLO Cn1ncc2c1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000877633020 590379173 /nfs/dbraw/zinc/37/91/73/590379173.db2.gz WCCZGXXAXYFAJP-SNVBAGLBSA-N 1 2 221.304 1.162 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742385 590409179 /nfs/dbraw/zinc/40/91/79/590409179.db2.gz YWTGJHXQGOPBOZ-PWSUYJOCSA-N 1 2 237.372 1.903 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742385 590409182 /nfs/dbraw/zinc/40/91/82/590409182.db2.gz YWTGJHXQGOPBOZ-PWSUYJOCSA-N 1 2 237.372 1.903 20 0 BDADLO Cc1cnn(C)c1C[NH+]1CC(OC(C)(C)C)C1 ZINC000877770351 590421582 /nfs/dbraw/zinc/42/15/82/590421582.db2.gz UOVNLJOPACCAIF-UHFFFAOYSA-N 1 2 237.347 1.728 20 0 BDADLO COC(=O)[C@@H](Cc1cncs1)[NH2+]CC1CC1 ZINC000877802230 590425261 /nfs/dbraw/zinc/42/52/61/590425261.db2.gz RHINOYVMQLITOP-SNVBAGLBSA-N 1 2 240.328 1.227 20 0 BDADLO Cc1ccc2c(c1)N[C@H](c1c[nH]c[nH+]1)NC2=O ZINC000877865349 590433849 /nfs/dbraw/zinc/43/38/49/590433849.db2.gz YOVFPRKVTMBCQG-NSHDSACASA-N 1 2 228.255 1.572 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCCOC(F)(F)F ZINC000877953566 590456727 /nfs/dbraw/zinc/45/67/27/590456727.db2.gz NYUQEBJBIYJRJP-MRVPVSSYSA-N 1 2 227.226 1.634 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCCOC(F)(F)F ZINC000877953566 590456728 /nfs/dbraw/zinc/45/67/28/590456728.db2.gz NYUQEBJBIYJRJP-MRVPVSSYSA-N 1 2 227.226 1.634 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000878040753 590478011 /nfs/dbraw/zinc/47/80/11/590478011.db2.gz NJVWEPDCCQSEHV-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000878040753 590478013 /nfs/dbraw/zinc/47/80/13/590478013.db2.gz NJVWEPDCCQSEHV-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878097598 590492286 /nfs/dbraw/zinc/49/22/86/590492286.db2.gz IWRKEHSRDCPDOX-DRZSPHRISA-N 1 2 235.331 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878097598 590492289 /nfs/dbraw/zinc/49/22/89/590492289.db2.gz IWRKEHSRDCPDOX-DRZSPHRISA-N 1 2 235.331 1.799 20 0 BDADLO c1cn(C[C@@H]2CCC3(CCOCC3)O2)c[nH+]1 ZINC000878207282 590524211 /nfs/dbraw/zinc/52/42/11/590524211.db2.gz IIHHNZVFUXLMEY-NSHDSACASA-N 1 2 222.288 1.611 20 0 BDADLO c1[nH]nc2c1CC[N@@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878291944 590535377 /nfs/dbraw/zinc/53/53/77/590535377.db2.gz RRCMOTIPYNNTET-GFCCVEGCSA-N 1 2 247.342 1.727 20 0 BDADLO c1[nH]nc2c1CC[N@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878291944 590535378 /nfs/dbraw/zinc/53/53/78/590535378.db2.gz RRCMOTIPYNNTET-GFCCVEGCSA-N 1 2 247.342 1.727 20 0 BDADLO c1n[nH]c2c1CC[N@@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878291944 590535379 /nfs/dbraw/zinc/53/53/79/590535379.db2.gz RRCMOTIPYNNTET-GFCCVEGCSA-N 1 2 247.342 1.727 20 0 BDADLO c1n[nH]c2c1CC[N@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878291944 590535380 /nfs/dbraw/zinc/53/53/80/590535380.db2.gz RRCMOTIPYNNTET-GFCCVEGCSA-N 1 2 247.342 1.727 20 0 BDADLO FC(F)Cn1ccnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000878316614 590542556 /nfs/dbraw/zinc/54/25/56/590542556.db2.gz KOPDAGMJCNHJKY-BDAKNGLRSA-N 1 2 227.258 1.742 20 0 BDADLO FC(F)Cn1ccnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000878316614 590542558 /nfs/dbraw/zinc/54/25/58/590542558.db2.gz KOPDAGMJCNHJKY-BDAKNGLRSA-N 1 2 227.258 1.742 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000878321041 590545110 /nfs/dbraw/zinc/54/51/10/590545110.db2.gz KVJRWYQBEZZHIA-NSHDSACASA-N 1 2 249.314 1.180 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000878321041 590545112 /nfs/dbraw/zinc/54/51/12/590545112.db2.gz KVJRWYQBEZZHIA-NSHDSACASA-N 1 2 249.314 1.180 20 0 BDADLO COC(=O)[C@]1([NH2+]CCCC2CC2)CCOC1 ZINC000878334096 590547148 /nfs/dbraw/zinc/54/71/48/590547148.db2.gz OELRRBXPTXKQSB-LBPRGKRZSA-N 1 2 227.304 1.098 20 0 BDADLO COC(=O)[C@@]1([NH2+]CCCC2CC2)CCOC1 ZINC000878334095 590548021 /nfs/dbraw/zinc/54/80/21/590548021.db2.gz OELRRBXPTXKQSB-GFCCVEGCSA-N 1 2 227.304 1.098 20 0 BDADLO C=C/C=C/CC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000878334218 590548179 /nfs/dbraw/zinc/54/81/79/590548179.db2.gz RHNZHHSCQPHCBD-ZYOFXKKJSA-N 1 2 225.288 1.040 20 0 BDADLO O[C@@H](C[N@@H+]1CCC=C(F)C1)CC1(O)CCCC1 ZINC000878338692 590550255 /nfs/dbraw/zinc/55/02/55/590550255.db2.gz AIEHCDSSMNPSEX-GFCCVEGCSA-N 1 2 243.322 1.602 20 0 BDADLO O[C@@H](C[N@H+]1CCC=C(F)C1)CC1(O)CCCC1 ZINC000878338692 590550257 /nfs/dbraw/zinc/55/02/57/590550257.db2.gz AIEHCDSSMNPSEX-GFCCVEGCSA-N 1 2 243.322 1.602 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878341334 590552088 /nfs/dbraw/zinc/55/20/88/590552088.db2.gz WPVUZRLTLKMMED-NXEZZACHSA-N 1 2 246.376 1.504 20 0 BDADLO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878341334 590552091 /nfs/dbraw/zinc/55/20/91/590552091.db2.gz WPVUZRLTLKMMED-NXEZZACHSA-N 1 2 246.376 1.504 20 0 BDADLO COC(=O)[C@@H]([NH2+]CC[C@H](O)C(C)C)C(C)C ZINC000878415194 590562690 /nfs/dbraw/zinc/56/26/90/590562690.db2.gz RJGUCWSYFFOPOB-QWRGUYRKSA-N 1 2 231.336 1.181 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC000878475798 590574199 /nfs/dbraw/zinc/57/41/99/590574199.db2.gz CDHLZGVONMIQHF-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC000878475798 590574201 /nfs/dbraw/zinc/57/42/01/590574201.db2.gz CDHLZGVONMIQHF-LPEHRKFASA-N 1 2 235.274 1.113 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000127142090 590574836 /nfs/dbraw/zinc/57/48/36/590574836.db2.gz XJUMESWLNYZQFW-MRVPVSSYSA-N 1 2 220.276 1.811 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000878492351 590579818 /nfs/dbraw/zinc/57/98/18/590579818.db2.gz GXPQNUVTVKUXRQ-BDAKNGLRSA-N 1 2 235.274 1.915 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000878492351 590579816 /nfs/dbraw/zinc/57/98/16/590579816.db2.gz GXPQNUVTVKUXRQ-BDAKNGLRSA-N 1 2 235.274 1.915 20 0 BDADLO COC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000878546112 590589747 /nfs/dbraw/zinc/58/97/47/590589747.db2.gz FVXHPMGOGANIIF-UWVGGRQHSA-N 1 2 229.320 1.295 20 0 BDADLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000878546112 590589749 /nfs/dbraw/zinc/58/97/49/590589749.db2.gz FVXHPMGOGANIIF-UWVGGRQHSA-N 1 2 229.320 1.295 20 0 BDADLO Cc1[nH]c(CN2Cc3ccncc3C2)[nH+]c1C ZINC000878608915 590595684 /nfs/dbraw/zinc/59/56/84/590595684.db2.gz HTAMUCPJHWEXDE-UHFFFAOYSA-N 1 2 228.299 1.937 20 0 BDADLO C[C@]1([NH2+]C[C@@H]2CCCC(C)(C)O2)CCOC1=O ZINC000878632311 590598402 /nfs/dbraw/zinc/59/84/02/590598402.db2.gz OXUVIAJIJXSTNJ-GWCFXTLKSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@]1([NH2+]C[C@H]2CCCC(C)(C)O2)CCOC1=O ZINC000878632317 590598481 /nfs/dbraw/zinc/59/84/81/590598481.db2.gz OXUVIAJIJXSTNJ-ZWNOBZJWSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677055 590608116 /nfs/dbraw/zinc/60/81/16/590608116.db2.gz BATXQVPGPFPZRL-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC(=O)N1 ZINC000878677055 590608117 /nfs/dbraw/zinc/60/81/17/590608117.db2.gz BATXQVPGPFPZRL-QWRGUYRKSA-N 1 2 240.347 1.012 20 0 BDADLO ClC1=CCC[N@H+](CCc2cn[nH]n2)C1 ZINC000878790702 590622801 /nfs/dbraw/zinc/62/28/01/590622801.db2.gz SMEIRNHVMANVNO-UHFFFAOYSA-N 1 2 212.684 1.176 20 0 BDADLO ClC1=CCC[N@H+](CCc2c[nH]nn2)C1 ZINC000878790702 590622799 /nfs/dbraw/zinc/62/27/99/590622799.db2.gz SMEIRNHVMANVNO-UHFFFAOYSA-N 1 2 212.684 1.176 20 0 BDADLO ClC1=CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC000878790702 590622800 /nfs/dbraw/zinc/62/28/00/590622800.db2.gz SMEIRNHVMANVNO-UHFFFAOYSA-N 1 2 212.684 1.176 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878793903 590624193 /nfs/dbraw/zinc/62/41/93/590624193.db2.gz XLXWNOZYHLDTRN-VIFPVBQESA-N 1 2 230.739 1.730 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878793903 590624194 /nfs/dbraw/zinc/62/41/94/590624194.db2.gz XLXWNOZYHLDTRN-VIFPVBQESA-N 1 2 230.739 1.730 20 0 BDADLO C=C/C=C\CC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000878811493 590626190 /nfs/dbraw/zinc/62/61/90/590626190.db2.gz GTLJWXMZOIZWIF-ZRUQZJFASA-N 1 2 247.342 1.926 20 0 BDADLO C=C/C=C\CC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000878811493 590626192 /nfs/dbraw/zinc/62/61/92/590626192.db2.gz GTLJWXMZOIZWIF-ZRUQZJFASA-N 1 2 247.342 1.926 20 0 BDADLO C=C/C=C/CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878914771 590650176 /nfs/dbraw/zinc/65/01/76/590650176.db2.gz JKRMBBZWUSMHRI-HMDXOVGESA-N 1 2 217.259 1.821 20 0 BDADLO C=C/C=C/CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000878914771 590650178 /nfs/dbraw/zinc/65/01/78/590650178.db2.gz JKRMBBZWUSMHRI-HMDXOVGESA-N 1 2 217.259 1.821 20 0 BDADLO O[C@@H]1CC[N@H+](CCCC2CC2)CC1(F)F ZINC000878914841 590650665 /nfs/dbraw/zinc/65/06/65/590650665.db2.gz LNBKSOXZZJFSIT-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1CC[N@@H+](CCCC2CC2)CC1(F)F ZINC000878914841 590650666 /nfs/dbraw/zinc/65/06/66/590650666.db2.gz LNBKSOXZZJFSIT-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](OC)C2)cc1 ZINC000878970374 590665111 /nfs/dbraw/zinc/66/51/11/590665111.db2.gz OSWHUURYGIUUAM-CYBMUJFWSA-N 1 2 237.299 1.500 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](OC)C2)cc1 ZINC000878970374 590665115 /nfs/dbraw/zinc/66/51/15/590665115.db2.gz OSWHUURYGIUUAM-CYBMUJFWSA-N 1 2 237.299 1.500 20 0 BDADLO COC[C@H]1C[C@@H](NC(=O)Nc2cc[nH+]cc2C)C1 ZINC000879072882 590691768 /nfs/dbraw/zinc/69/17/68/590691768.db2.gz LTEZEUBGMIGYNP-PHIMTYICSA-N 1 2 249.314 1.358 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCCCCCO ZINC000879186430 590709621 /nfs/dbraw/zinc/70/96/21/590709621.db2.gz LEBOXTBTLLHFPJ-UHFFFAOYSA-N 1 2 225.336 1.703 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccnc(F)c1 ZINC000879187966 590710885 /nfs/dbraw/zinc/71/08/85/590710885.db2.gz DWIBKEQJWIIXIC-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1ccnc(F)c1 ZINC000879187966 590710888 /nfs/dbraw/zinc/71/08/88/590710888.db2.gz DWIBKEQJWIIXIC-UHFFFAOYSA-N 1 2 234.278 1.884 20 0 BDADLO Cc1nnc([C@@H](C)[NH+]2CCC([C@H](C)O)CC2)[nH]1 ZINC000879456040 590772863 /nfs/dbraw/zinc/77/28/63/590772863.db2.gz BBVAXQFBXQAZEY-BDAKNGLRSA-N 1 2 238.335 1.267 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)nc1 ZINC000879623119 590836494 /nfs/dbraw/zinc/83/64/94/590836494.db2.gz RWNPBFMFFVVIIG-NSHDSACASA-N 1 2 235.331 1.378 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)nc1 ZINC000879623119 590836497 /nfs/dbraw/zinc/83/64/97/590836497.db2.gz RWNPBFMFFVVIIG-NSHDSACASA-N 1 2 235.331 1.378 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccnn2C)[nH]1 ZINC000879686743 590848176 /nfs/dbraw/zinc/84/81/76/590848176.db2.gz IABGWBVBYAJQKU-SECBINFHSA-N 1 2 248.334 1.512 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CC1(C)COC1 ZINC000879981152 590902145 /nfs/dbraw/zinc/90/21/45/590902145.db2.gz OFPLXWZIHSFFNY-LLVKDONJSA-N 1 2 241.331 1.344 20 0 BDADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCSC ZINC000879982922 590902640 /nfs/dbraw/zinc/90/26/40/590902640.db2.gz PJKCPCRRIXPDMB-SNVBAGLBSA-N 1 2 231.361 1.671 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)c1c[nH]cc1C1CC1 ZINC000880027224 590912357 /nfs/dbraw/zinc/91/23/57/590912357.db2.gz PAFIEDGBGIYCBU-UHFFFAOYSA-N 1 2 244.298 1.556 20 0 BDADLO Cc1coc(C(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000880159491 590947173 /nfs/dbraw/zinc/94/71/73/590947173.db2.gz VWDKOLONYAZWRB-VIFPVBQESA-N 1 2 231.255 1.659 20 0 BDADLO COCc1noc(C[N@@H+]2CCC[C@H](CF)C2)n1 ZINC000880236839 590968191 /nfs/dbraw/zinc/96/81/91/590968191.db2.gz KIKDPOHIWSIDPB-SECBINFHSA-N 1 2 243.282 1.398 20 0 BDADLO COCc1noc(C[N@H+]2CCC[C@H](CF)C2)n1 ZINC000880236839 590968194 /nfs/dbraw/zinc/96/81/94/590968194.db2.gz KIKDPOHIWSIDPB-SECBINFHSA-N 1 2 243.282 1.398 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H](CF)C2)[nH]1 ZINC000880238718 590971785 /nfs/dbraw/zinc/97/17/85/590971785.db2.gz VXIOVYOOOLDLMI-SECBINFHSA-N 1 2 212.272 1.295 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H](CF)C2)[nH]1 ZINC000880238718 590971787 /nfs/dbraw/zinc/97/17/87/590971787.db2.gz VXIOVYOOOLDLMI-SECBINFHSA-N 1 2 212.272 1.295 20 0 BDADLO CCCOC(=O)[C@H](C)[NH+]1CCC(F)CC1 ZINC000880241504 590975561 /nfs/dbraw/zinc/97/55/61/590975561.db2.gz FTSUYEIKORPWNQ-VIFPVBQESA-N 1 2 217.284 1.762 20 0 BDADLO CCCS(=O)(=O)CC[NH+]1CCC(F)CC1 ZINC000880243268 590977035 /nfs/dbraw/zinc/97/70/35/590977035.db2.gz VZHSXWZHHKPEQV-UHFFFAOYSA-N 1 2 237.340 1.245 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880299929 590996160 /nfs/dbraw/zinc/99/61/60/590996160.db2.gz MHUIFCDJUPOVTK-SFYZADRCSA-N 1 2 215.297 1.891 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H](CF)C1 ZINC000880299929 590996162 /nfs/dbraw/zinc/99/61/62/590996162.db2.gz MHUIFCDJUPOVTK-SFYZADRCSA-N 1 2 215.297 1.891 20 0 BDADLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000880307751 591000460 /nfs/dbraw/zinc/00/04/60/591000460.db2.gz UPIBDYIDIGRMEB-SECBINFHSA-N 1 2 249.236 1.563 20 0 BDADLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000880307751 591000465 /nfs/dbraw/zinc/00/04/65/591000465.db2.gz UPIBDYIDIGRMEB-SECBINFHSA-N 1 2 249.236 1.563 20 0 BDADLO CCCc1nc(C[N@@H+]2CC=C[C@H]2CO)cs1 ZINC000880483942 591057154 /nfs/dbraw/zinc/05/71/54/591057154.db2.gz JZSRBXORGZDFIL-NSHDSACASA-N 1 2 238.356 1.828 20 0 BDADLO CCCc1nc(C[N@H+]2CC=C[C@H]2CO)cs1 ZINC000880483942 591057161 /nfs/dbraw/zinc/05/71/61/591057161.db2.gz JZSRBXORGZDFIL-NSHDSACASA-N 1 2 238.356 1.828 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1cccnc1Cl ZINC000880485834 591060524 /nfs/dbraw/zinc/06/05/24/591060524.db2.gz ICQHXINENCNSCU-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1cccnc1Cl ZINC000880485834 591060528 /nfs/dbraw/zinc/06/05/28/591060528.db2.gz ICQHXINENCNSCU-JTQLQIEISA-N 1 2 224.691 1.468 20 0 BDADLO OC[C@@H]1C=CC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000880488613 591066988 /nfs/dbraw/zinc/06/69/88/591066988.db2.gz IKBCFWNOHUSHEW-JTQLQIEISA-N 1 2 220.272 1.285 20 0 BDADLO OC[C@@H]1C=CC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000880488613 591066993 /nfs/dbraw/zinc/06/69/93/591066993.db2.gz IKBCFWNOHUSHEW-JTQLQIEISA-N 1 2 220.272 1.285 20 0 BDADLO CC(C)(C)c1cc(C[N@@H+]2CC=C[C@@H]2CO)no1 ZINC000880492092 591067804 /nfs/dbraw/zinc/06/78/04/591067804.db2.gz NIANIKQAVUUVKI-LLVKDONJSA-N 1 2 236.315 1.705 20 0 BDADLO CC(C)(C)c1cc(C[N@H+]2CC=C[C@@H]2CO)no1 ZINC000880492092 591067809 /nfs/dbraw/zinc/06/78/09/591067809.db2.gz NIANIKQAVUUVKI-LLVKDONJSA-N 1 2 236.315 1.705 20 0 BDADLO C[C@@H](CC(=O)NC1CSC1)n1cc[nH+]c1 ZINC000880727304 591129213 /nfs/dbraw/zinc/12/92/13/591129213.db2.gz HRLHYSUVFHWAFC-QMMMGPOBSA-N 1 2 225.317 1.066 20 0 BDADLO c1c[nH+]c(Cn2cc([C@H]3CCCCO3)nn2)[nH]1 ZINC000880948539 591154324 /nfs/dbraw/zinc/15/43/24/591154324.db2.gz ZQAORTDTUWUWJS-SNVBAGLBSA-N 1 2 233.275 1.291 20 0 BDADLO CN1CCc2cc([NH2+]CC(C)(C)O)ccc21 ZINC000211493901 591177545 /nfs/dbraw/zinc/17/75/45/591177545.db2.gz RLADENNCNHWQHP-UHFFFAOYSA-N 1 2 220.316 1.862 20 0 BDADLO OCCCCCCc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000881289580 591181285 /nfs/dbraw/zinc/18/12/85/591181285.db2.gz OMHAKOTYXPVBSF-UHFFFAOYSA-N 1 2 249.318 1.145 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000881571240 591244661 /nfs/dbraw/zinc/24/46/61/591244661.db2.gz XQQVDYCPHCVBFZ-DOGVGXBMSA-N 1 2 233.315 1.837 20 0 BDADLO C=C/C=C\CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000881571240 591244664 /nfs/dbraw/zinc/24/46/64/591244664.db2.gz XQQVDYCPHCVBFZ-DOGVGXBMSA-N 1 2 233.315 1.837 20 0 BDADLO O=C(c1ccc2[nH+]ccn2c1)N1CCC(F)CC1 ZINC000881607753 591255552 /nfs/dbraw/zinc/25/55/52/591255552.db2.gz DIYMVXOQVWYPRU-UHFFFAOYSA-N 1 2 247.273 1.908 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](O)CC(C)C)c1C ZINC000881866803 591276079 /nfs/dbraw/zinc/27/60/79/591276079.db2.gz YPKCZRMAQFUAER-LLVKDONJSA-N 1 2 223.320 1.912 20 0 BDADLO Cc1noc(CCCNc2nc[nH+]c(C)c2C)n1 ZINC000881910537 591278090 /nfs/dbraw/zinc/27/80/90/591278090.db2.gz PNAFSEBIBZJPOT-UHFFFAOYSA-N 1 2 247.302 1.830 20 0 BDADLO Cc1[nH+]cnc(NC2CCC(C(N)=O)CC2)c1C ZINC000881960776 591284034 /nfs/dbraw/zinc/28/40/34/591284034.db2.gz OSMZIHMVOXUYOL-UHFFFAOYSA-N 1 2 248.330 1.549 20 0 BDADLO Cc1[nH+]cnc(N(C)CCN2CCCC2=O)c1C ZINC000881979122 591284668 /nfs/dbraw/zinc/28/46/68/591284668.db2.gz FDHUKRBKVWQFHW-UHFFFAOYSA-N 1 2 248.330 1.152 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1nc[nH+]c(C)c1C ZINC000881977081 591285073 /nfs/dbraw/zinc/28/50/73/591285073.db2.gz JYZFKRYOWGULPA-KCJUWKMLSA-N 1 2 223.320 1.912 20 0 BDADLO Cc1cc(CNc2nc[nH+]c(C)c2C)[nH]n1 ZINC000881983267 591285779 /nfs/dbraw/zinc/28/57/79/591285779.db2.gz YAUAHQWIKJSJRC-UHFFFAOYSA-N 1 2 217.276 1.737 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H](O)C(C)C)c1C ZINC000882006658 591287467 /nfs/dbraw/zinc/28/74/67/591287467.db2.gz SXTXDEIYWCRHMV-SNVBAGLBSA-N 1 2 209.293 1.522 20 0 BDADLO OCC[C@@H](Nc1cc[nH+]cc1F)C1CC1 ZINC000882009559 591287508 /nfs/dbraw/zinc/28/75/08/591287508.db2.gz YLXMIXIKNXDDKQ-SNVBAGLBSA-N 1 2 210.252 1.216 20 0 BDADLO Cc1[nH+]cnc(NCc2ccc(C(N)=O)o2)c1C ZINC000882049231 591291526 /nfs/dbraw/zinc/29/15/26/591291526.db2.gz NKTSQGQAQBMNEZ-UHFFFAOYSA-N 1 2 246.270 1.397 20 0 BDADLO CCOC[C@H]1CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882049773 591291643 /nfs/dbraw/zinc/29/16/43/591291643.db2.gz GUQJMTNTWQGHDN-LBPRGKRZSA-N 1 2 235.331 1.956 20 0 BDADLO CCOCCN(C)c1nc[nH+]c(C)c1C ZINC000882158997 591308426 /nfs/dbraw/zinc/30/84/26/591308426.db2.gz YVDGAKKJQVFAHR-UHFFFAOYSA-N 1 2 209.293 1.566 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H]([C@H](C)O)C2)c1C ZINC000882168290 591310349 /nfs/dbraw/zinc/31/03/49/591310349.db2.gz FIJFRFAWUXGDDO-WDEREUQCSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1nn(C)cc1CNc1nc[nH+]c(C)c1C ZINC000882174330 591310837 /nfs/dbraw/zinc/31/08/37/591310837.db2.gz UDYOAUNYRJSYFX-UHFFFAOYSA-N 1 2 231.303 1.747 20 0 BDADLO Cc1[nH+]cnc(NCC[C@@H]2CCOC2)c1C ZINC000882179726 591312334 /nfs/dbraw/zinc/31/23/34/591312334.db2.gz SCYHNUVGYFJIRK-LLVKDONJSA-N 1 2 221.304 1.932 20 0 BDADLO Cc1[nH+]cnc(N[C@@H]2C[C@H](O)C2(C)C)c1C ZINC000882210443 591316465 /nfs/dbraw/zinc/31/64/65/591316465.db2.gz KRGAFQIOHZWNPL-ZJUUUORDSA-N 1 2 221.304 1.665 20 0 BDADLO CC[C@@H](Nc1ncc(C=O)cn1)c1[nH]cc[nH+]1 ZINC000882229078 591318117 /nfs/dbraw/zinc/31/81/17/591318117.db2.gz ZIDWIZKCLQKZGY-SECBINFHSA-N 1 2 231.259 1.575 20 0 BDADLO Cc1[nH+]cnc(N(C)CC2(CO)CC2)c1C ZINC000882237213 591319103 /nfs/dbraw/zinc/31/91/03/591319103.db2.gz GNXNZZNGIHNKNN-UHFFFAOYSA-N 1 2 221.304 1.302 20 0 BDADLO Cc1[nH+]cnc(NC[C@H]2CC[C@H](O)C2)c1C ZINC000882243648 591320483 /nfs/dbraw/zinc/32/04/83/591320483.db2.gz AZIKJVQVEXSDIR-QWRGUYRKSA-N 1 2 221.304 1.666 20 0 BDADLO Cc1[nH+]cnc(NCCC[C@H](C)O)c1C ZINC000882278644 591325285 /nfs/dbraw/zinc/32/52/85/591325285.db2.gz NYUWUPXRRCYAHQ-QMMMGPOBSA-N 1 2 209.293 1.666 20 0 BDADLO CCCCOC(=O)CSCc1cn(C)c[nH+]1 ZINC000882281071 591326240 /nfs/dbraw/zinc/32/62/40/591326240.db2.gz UQJCVVQRUIPLGM-UHFFFAOYSA-N 1 2 242.344 1.997 20 0 BDADLO Cc1ncnc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000882382295 591340381 /nfs/dbraw/zinc/34/03/81/591340381.db2.gz CVWZGZVCCIMDLK-SNVBAGLBSA-N 1 2 243.314 1.786 20 0 BDADLO Cc1ncnc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000882382295 591340383 /nfs/dbraw/zinc/34/03/83/591340383.db2.gz CVWZGZVCCIMDLK-SNVBAGLBSA-N 1 2 243.314 1.786 20 0 BDADLO Cc1nnsc1CNc1nc[nH+]c(C)c1C ZINC000882395654 591342867 /nfs/dbraw/zinc/34/28/67/591342867.db2.gz WOEMXXPYWDZWQG-UHFFFAOYSA-N 1 2 235.316 1.865 20 0 BDADLO Cc1cncnc1N[C@@H]1CCn2cc[nH+]c21 ZINC000882407469 591344567 /nfs/dbraw/zinc/34/45/67/591344567.db2.gz RYUPJRJBZPRYRC-SECBINFHSA-N 1 2 215.260 1.538 20 0 BDADLO Cc1[nH+]cnc(NCCC2(CO)CC2)c1C ZINC000882425815 591346568 /nfs/dbraw/zinc/34/65/68/591346568.db2.gz FORDJWYPOAZKEJ-UHFFFAOYSA-N 1 2 221.304 1.668 20 0 BDADLO Cc1[nH+]cnc(N2C[C@@H](C)C[C@H](CO)C2)c1C ZINC000882471370 591354335 /nfs/dbraw/zinc/35/43/35/591354335.db2.gz PZDRXQFSWBKEKF-CABZTGNLSA-N 1 2 235.331 1.548 20 0 BDADLO Cc1[nH+]cnc(NC[C@@H]2CCN(C)C(=O)C2)c1C ZINC000882477750 591357502 /nfs/dbraw/zinc/35/75/02/591357502.db2.gz WRKFXFGPNVVRMZ-LLVKDONJSA-N 1 2 248.330 1.374 20 0 BDADLO Cc1nc(NCCc2ccc(=O)[nH]c2)cc[nH+]1 ZINC000882537446 591387765 /nfs/dbraw/zinc/38/77/65/591387765.db2.gz IYGIVVVYHOLMDW-UHFFFAOYSA-N 1 2 230.271 1.540 20 0 BDADLO COC(=O)C1=CC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000882651816 591406667 /nfs/dbraw/zinc/40/66/67/591406667.db2.gz WGDFNYMWSICYHI-NSHDSACASA-N 1 2 248.282 1.248 20 0 BDADLO CCc1ccc(NC(=O)Cc2c[nH+]cn2C)nc1 ZINC000882721009 591421346 /nfs/dbraw/zinc/42/13/46/591421346.db2.gz SNMNALRBUUJDQK-UHFFFAOYSA-N 1 2 244.298 1.559 20 0 BDADLO CCc1ccc(NC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC000882720793 591421517 /nfs/dbraw/zinc/42/15/17/591421517.db2.gz KJROPFSFYDLNSF-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO CCc1ccc(NC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC000882720793 591421520 /nfs/dbraw/zinc/42/15/20/591421520.db2.gz KJROPFSFYDLNSF-UHFFFAOYSA-N 1 2 244.298 1.938 20 0 BDADLO COc1c(N)[nH+]cnc1NC[C@H]1C=CCC1 ZINC000882756882 591430395 /nfs/dbraw/zinc/43/03/95/591430395.db2.gz QVDAUNNQUABZJW-QMMMGPOBSA-N 1 2 220.276 1.446 20 0 BDADLO COc1c(N)nc[nH+]c1NC[C@H]1C=CCC1 ZINC000882756882 591430398 /nfs/dbraw/zinc/43/03/98/591430398.db2.gz QVDAUNNQUABZJW-QMMMGPOBSA-N 1 2 220.276 1.446 20 0 BDADLO C=C/C=C/CCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000882795024 591440236 /nfs/dbraw/zinc/44/02/36/591440236.db2.gz CTWAHEMEEFASOP-SNAWJCMRSA-N 1 2 244.302 1.490 20 0 BDADLO Cc1[nH+]cnc(N2CC[C@@H](CF)C2)c1C ZINC000882838792 591449862 /nfs/dbraw/zinc/44/98/62/591449862.db2.gz WSZVIYFPQLIZAY-JTQLQIEISA-N 1 2 209.268 1.889 20 0 BDADLO CC(C)(C)SCCO[NH+]=C(N)CO ZINC000883012913 591512776 /nfs/dbraw/zinc/51/27/76/591512776.db2.gz XQLIUXHDCJZULB-UHFFFAOYSA-N 1 2 206.311 1.009 20 0 BDADLO CCc1ccccc1CO[NH+]=C(N)CO ZINC000883012461 591505615 /nfs/dbraw/zinc/50/56/15/591505615.db2.gz HGEIIDKOAALFNA-UHFFFAOYSA-N 1 2 208.261 1.240 20 0 BDADLO C[C@@H]1CCC[C@H](CO[NH+]=C(N)CO)C1 ZINC000883011855 591510847 /nfs/dbraw/zinc/51/08/47/591510847.db2.gz LIABPTUWRQZKSQ-BDAKNGLRSA-N 1 2 200.282 1.303 20 0 BDADLO CCCC[C@@H](CC)CO[NH+]=C(N)CO ZINC000883012577 591512381 /nfs/dbraw/zinc/51/23/81/591512381.db2.gz KXXWOSUKVDRRRM-SECBINFHSA-N 1 2 202.298 1.694 20 0 BDADLO Cc1cc(Cl)ccc1CO[NH+]=C(N)CO ZINC000883012450 591513330 /nfs/dbraw/zinc/51/33/30/591513330.db2.gz GVGVZFXFXQOBRX-UHFFFAOYSA-N 1 2 228.679 1.639 20 0 BDADLO NC(CO)=[NH+]OCc1ccsc1Cl ZINC000883013140 591514511 /nfs/dbraw/zinc/51/45/11/591514511.db2.gz GILIVYIBYCLWGI-UHFFFAOYSA-N 1 2 220.681 1.392 20 0 BDADLO Cc1ccccc1C(N)=[NH+]O[C@@H]1CCN(C)C1=O ZINC000883059313 591531313 /nfs/dbraw/zinc/53/13/13/591531313.db2.gz SLIBNJUHXKBQOU-LLVKDONJSA-N 1 2 247.298 1.072 20 0 BDADLO Cc1ccc(CN2C(=O)[C@@H]3CC[C@@H]3C2=O)c(C)[nH+]1 ZINC000883066159 591533054 /nfs/dbraw/zinc/53/30/54/591533054.db2.gz MZKKHNPARCDSLI-TXEJJXNPSA-N 1 2 244.294 1.593 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC[C@@H]1C=CCC1 ZINC000883068519 591533554 /nfs/dbraw/zinc/53/35/54/591533554.db2.gz XTTYAOWFRJEKHX-LLVKDONJSA-N 1 2 234.303 1.149 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C=CCC1 ZINC000883143406 591549998 /nfs/dbraw/zinc/54/99/98/591549998.db2.gz JXOQQHRZTUUWHQ-NWDGAFQWSA-N 1 2 248.330 1.537 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CCCC23OCCO3)no1 ZINC000883178223 591564080 /nfs/dbraw/zinc/56/40/80/591564080.db2.gz RDUXRJHMFONDTR-LLVKDONJSA-N 1 2 238.287 1.368 20 0 BDADLO CCC(CC)C[N@H+](CC)Cn1ncn(C)c1=O ZINC000131229640 591574410 /nfs/dbraw/zinc/57/44/10/591574410.db2.gz XXJORTITOCUPRS-UHFFFAOYSA-N 1 2 240.351 1.297 20 0 BDADLO CCC(CC)C[N@@H+](CC)Cn1ncn(C)c1=O ZINC000131229640 591574414 /nfs/dbraw/zinc/57/44/14/591574414.db2.gz XXJORTITOCUPRS-UHFFFAOYSA-N 1 2 240.351 1.297 20 0 BDADLO CSCCCCC(=O)NC1=[NH+]CCS1 ZINC000132861176 591743305 /nfs/dbraw/zinc/74/33/05/591743305.db2.gz LDUXIMKXVMSYTG-UHFFFAOYSA-N 1 2 232.374 1.739 20 0 BDADLO CCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800086620 591819641 /nfs/dbraw/zinc/81/96/41/591819641.db2.gz NRVUKZZWYQCKSN-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO CCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800086620 591819645 /nfs/dbraw/zinc/81/96/45/591819645.db2.gz NRVUKZZWYQCKSN-JTQLQIEISA-N 1 2 215.293 1.050 20 0 BDADLO C/C=C/C=C/C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800096419 591822280 /nfs/dbraw/zinc/82/22/80/591822280.db2.gz DGIJWCJNWUVEPK-KANVGOIPSA-N 1 2 239.315 1.383 20 0 BDADLO C/C=C/C=C/C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800096419 591822284 /nfs/dbraw/zinc/82/22/84/591822284.db2.gz DGIJWCJNWUVEPK-KANVGOIPSA-N 1 2 239.315 1.383 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)/C=C/C2CC2)CCO1 ZINC000800176139 591831161 /nfs/dbraw/zinc/83/11/61/591831161.db2.gz YKYVGLRIWSOVPS-ZWNMCFTASA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)/C=C/C2CC2)CCO1 ZINC000800176139 591831162 /nfs/dbraw/zinc/83/11/62/591831162.db2.gz YKYVGLRIWSOVPS-ZWNMCFTASA-N 1 2 239.315 1.217 20 0 BDADLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000800188147 591835302 /nfs/dbraw/zinc/83/53/02/591835302.db2.gz ZJWAILSWPLUVTE-QWRGUYRKSA-N 1 2 241.331 1.296 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CC2(C)C)CCO1 ZINC000800188147 591835306 /nfs/dbraw/zinc/83/53/06/591835306.db2.gz ZJWAILSWPLUVTE-QWRGUYRKSA-N 1 2 241.331 1.296 20 0 BDADLO CC(C)[C@H](F)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800211634 591840796 /nfs/dbraw/zinc/84/07/96/591840796.db2.gz IADSLEJTUFVIMR-MNOVXSKESA-N 1 2 247.310 1.244 20 0 BDADLO CC(C)[C@H](F)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800211634 591840798 /nfs/dbraw/zinc/84/07/98/591840798.db2.gz IADSLEJTUFVIMR-MNOVXSKESA-N 1 2 247.310 1.244 20 0 BDADLO CCn1cc(C[N@@H+]2CCSC(C)(C)C2)nn1 ZINC000884234049 591876771 /nfs/dbraw/zinc/87/67/71/591876771.db2.gz GIFBUZLGOVRTEY-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO CCn1cc(C[N@H+]2CCSC(C)(C)C2)nn1 ZINC000884234049 591876774 /nfs/dbraw/zinc/87/67/74/591876774.db2.gz GIFBUZLGOVRTEY-UHFFFAOYSA-N 1 2 240.376 1.625 20 0 BDADLO CCCNc1cc(NC[C@H](O)CCC)nc[nH+]1 ZINC000134663764 591946515 /nfs/dbraw/zinc/94/65/15/591946515.db2.gz QGALTGULPQCDSL-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCCNc1cc(NC[C@H](O)CCC)[nH+]cn1 ZINC000134663764 591946519 /nfs/dbraw/zinc/94/65/19/591946519.db2.gz QGALTGULPQCDSL-SNVBAGLBSA-N 1 2 238.335 1.871 20 0 BDADLO CCc1nc(N2CCC[C@](C)(O)CC2)cc[nH+]1 ZINC000884491949 591955037 /nfs/dbraw/zinc/95/50/37/591955037.db2.gz IRRPUADEYKNZLJ-ZDUSSCGKSA-N 1 2 235.331 1.780 20 0 BDADLO CCc1nc(N2CCO[C@H](C(F)F)C2)cc[nH+]1 ZINC000884498453 591958295 /nfs/dbraw/zinc/95/82/95/591958295.db2.gz BSDMKFUPQAYMQI-QMMMGPOBSA-N 1 2 243.257 1.509 20 0 BDADLO CCc1nc(N(CCO)[C@H](C)CC)cc[nH+]1 ZINC000884508963 591960966 /nfs/dbraw/zinc/96/09/66/591960966.db2.gz SUYQBUJMHAZJIA-SNVBAGLBSA-N 1 2 223.320 1.636 20 0 BDADLO CCc1nc(NC[C@H]2CCCO2)cc[nH+]1 ZINC000884519282 591963634 /nfs/dbraw/zinc/96/36/34/591963634.db2.gz OJPWAMYRGIDUGY-SECBINFHSA-N 1 2 207.277 1.630 20 0 BDADLO CCc1nc(NC[C@H]2CC(C)=NO2)cc[nH+]1 ZINC000884521481 591964660 /nfs/dbraw/zinc/96/46/60/591964660.db2.gz YGBOMWQUOCQKAD-SECBINFHSA-N 1 2 220.276 1.616 20 0 BDADLO CCc1nc(N[C@@H]2CC(=O)N(CC)C2)cc[nH+]1 ZINC000884521830 591965109 /nfs/dbraw/zinc/96/51/09/591965109.db2.gz HXWSZEFRTFRXQE-SECBINFHSA-N 1 2 234.303 1.072 20 0 BDADLO CCc1nc(N2C[C@H](C)C[C@H](CO)C2)cc[nH+]1 ZINC000884533311 591969833 /nfs/dbraw/zinc/96/98/33/591969833.db2.gz FCCXZENKMMTQFN-MNOVXSKESA-N 1 2 235.331 1.494 20 0 BDADLO CCc1nc(N2CCC([C@H](C)CO)CC2)cc[nH+]1 ZINC000884545214 591974288 /nfs/dbraw/zinc/97/42/88/591974288.db2.gz BAOBSUPADFAFJZ-LLVKDONJSA-N 1 2 249.358 1.884 20 0 BDADLO CCc1nc(N2CCC([C@H](C)O)CC2)cc[nH+]1 ZINC000884572262 591984045 /nfs/dbraw/zinc/98/40/45/591984045.db2.gz JSCJYNBVKFJIAB-JTQLQIEISA-N 1 2 235.331 1.636 20 0 BDADLO CCc1nc(N[C@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000884572683 591984466 /nfs/dbraw/zinc/98/44/66/591984466.db2.gz SZSGIXIRVBSYGK-IUCAKERBSA-N 1 2 207.277 1.364 20 0 BDADLO c1nc(N2C[C@@H]3C[C@@H]3C2)cc(NCC2CC2)[nH+]1 ZINC000884589217 591989069 /nfs/dbraw/zinc/98/90/69/591989069.db2.gz VZTPWIOBAZRSOG-PHIMTYICSA-N 1 2 230.315 1.755 20 0 BDADLO c1nc(NCC2CC2)cc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884589217 591989070 /nfs/dbraw/zinc/98/90/70/591989070.db2.gz VZTPWIOBAZRSOG-PHIMTYICSA-N 1 2 230.315 1.755 20 0 BDADLO c1nc(N2C[C@@H]3C[C@@H]3C2)cc(N2C[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000884590285 591989611 /nfs/dbraw/zinc/98/96/11/591989611.db2.gz SMECTVGIQFGOOT-BKUVIOGVSA-N 1 2 242.326 1.389 20 0 BDADLO CC/C=C(/C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000135389020 592011144 /nfs/dbraw/zinc/01/11/44/592011144.db2.gz RUUMVVWIEYCNBF-BZJXQOFCSA-N 1 2 207.277 1.943 20 0 BDADLO CCC=C(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000135389020 592011147 /nfs/dbraw/zinc/01/11/47/592011147.db2.gz RUUMVVWIEYCNBF-BZJXQOFCSA-N 1 2 207.277 1.943 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884751033 592017143 /nfs/dbraw/zinc/01/71/43/592017143.db2.gz INMUZSQJPVBNNM-QWHCGFSZSA-N 1 2 248.326 1.579 20 0 BDADLO CCc1nc(N[C@H](CCO)C(F)(F)F)cc[nH+]1 ZINC000884831594 592024154 /nfs/dbraw/zinc/02/41/54/592024154.db2.gz UEGFYJDQMCPRQD-SSDOTTSWSA-N 1 2 249.236 1.764 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC(=O)[C@@H]1C ZINC000885058688 592042178 /nfs/dbraw/zinc/04/21/78/592042178.db2.gz MKZVTUYAVHFDFQ-ZJUUUORDSA-N 1 2 249.314 1.168 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC(=O)[C@@H]1C ZINC000885058688 592042180 /nfs/dbraw/zinc/04/21/80/592042180.db2.gz MKZVTUYAVHFDFQ-ZJUUUORDSA-N 1 2 249.314 1.168 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCCC(=O)[C@H]2C)[nH+]1 ZINC000885061923 592043182 /nfs/dbraw/zinc/04/31/82/592043182.db2.gz FNMMUEHYGKOTPS-SECBINFHSA-N 1 2 249.314 1.095 20 0 BDADLO C[C@H]1C(=O)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000885063868 592043337 /nfs/dbraw/zinc/04/33/37/592043337.db2.gz SLFDROOSCDHVGQ-IVZWLZJFSA-N 1 2 247.298 1.093 20 0 BDADLO C[C@H]1C(=O)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000885063868 592043340 /nfs/dbraw/zinc/04/33/40/592043340.db2.gz SLFDROOSCDHVGQ-IVZWLZJFSA-N 1 2 247.298 1.093 20 0 BDADLO C[C@H]1CCC(=O)CN1C(=O)CCCn1cc[nH+]c1 ZINC000885090534 592051193 /nfs/dbraw/zinc/05/11/93/592051193.db2.gz AKJRUVIOJIWPTC-NSHDSACASA-N 1 2 249.314 1.243 20 0 BDADLO C[N@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000885985269 592122365 /nfs/dbraw/zinc/12/23/65/592122365.db2.gz CTCRYFDCMMCQBP-SCZZXKLOSA-N 1 2 205.248 1.610 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H]1C[C@]12CCOC2 ZINC000885985269 592122366 /nfs/dbraw/zinc/12/23/66/592122366.db2.gz CTCRYFDCMMCQBP-SCZZXKLOSA-N 1 2 205.248 1.610 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2C[C@]23CCOC3)no1 ZINC000886116639 592157599 /nfs/dbraw/zinc/15/75/99/592157599.db2.gz MNOJYXWNQSCGKT-JQWIXIFHSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2C[C@]23CCOC3)no1 ZINC000886116639 592157601 /nfs/dbraw/zinc/15/76/01/592157601.db2.gz MNOJYXWNQSCGKT-JQWIXIFHSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2nnc(C(C)C)[nH]2)c1C ZINC000886130246 592159905 /nfs/dbraw/zinc/15/99/05/592159905.db2.gz ZPNKDNWGFHRMGZ-UHFFFAOYSA-N 1 2 248.334 1.558 20 0 BDADLO Cc1noc([C@H](C)[NH2+]C[C@@](C)(O)C(F)F)n1 ZINC000886129671 592160090 /nfs/dbraw/zinc/16/00/90/592160090.db2.gz KVKNXSPOMYLYMM-SSDLBLMSSA-N 1 2 235.234 1.045 20 0 BDADLO Cc1c[nH]c(CNc2n[nH]c(C)c2C)[nH+]1 ZINC000886197766 592174031 /nfs/dbraw/zinc/17/40/31/592174031.db2.gz LPEMYMCSJQPESD-UHFFFAOYSA-N 1 2 205.265 1.670 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000886236205 592181852 /nfs/dbraw/zinc/18/18/52/592181852.db2.gz BLGYDFCLWXXIHY-NHCYSSNCSA-N 1 2 249.301 1.361 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1C[C@]12CCOC2 ZINC000886236205 592181854 /nfs/dbraw/zinc/18/18/54/592181854.db2.gz BLGYDFCLWXXIHY-NHCYSSNCSA-N 1 2 249.301 1.361 20 0 BDADLO NC(=O)[C@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC000886234856 592182085 /nfs/dbraw/zinc/18/20/85/592182085.db2.gz XXZBVHPBHFYQSB-ZCFIWIBFSA-N 1 2 242.266 1.189 20 0 BDADLO NC(=O)[C@H]1CCC[N@H+]1CCSC(F)(F)F ZINC000886234856 592182087 /nfs/dbraw/zinc/18/20/87/592182087.db2.gz XXZBVHPBHFYQSB-ZCFIWIBFSA-N 1 2 242.266 1.189 20 0 BDADLO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1csnn1 ZINC000886249545 592186545 /nfs/dbraw/zinc/18/65/45/592186545.db2.gz NBTCRTQCGLBTKU-XRGYYRRGSA-N 1 2 237.275 1.205 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CCO1 ZINC000886284255 592199753 /nfs/dbraw/zinc/19/97/53/592199753.db2.gz RNJNDOMRPDIQRK-XQQFMLRXSA-N 1 2 241.331 1.249 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CCO1 ZINC000886284255 592199756 /nfs/dbraw/zinc/19/97/56/592199756.db2.gz RNJNDOMRPDIQRK-XQQFMLRXSA-N 1 2 241.331 1.249 20 0 BDADLO CCCn1ncnc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346187 592212738 /nfs/dbraw/zinc/21/27/38/592212738.db2.gz CNQJMUUEOBPIGJ-AOOOYVTPSA-N 1 2 206.293 1.140 20 0 BDADLO CCCn1ncnc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346187 592212740 /nfs/dbraw/zinc/21/27/40/592212740.db2.gz CNQJMUUEOBPIGJ-AOOOYVTPSA-N 1 2 206.293 1.140 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000886481916 592231456 /nfs/dbraw/zinc/23/14/56/592231456.db2.gz MMSMWOHNLSIFBP-FXBDTBDDSA-N 1 2 227.333 1.444 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000886481916 592231459 /nfs/dbraw/zinc/23/14/59/592231459.db2.gz MMSMWOHNLSIFBP-FXBDTBDDSA-N 1 2 227.333 1.444 20 0 BDADLO CCn1c[nH+]c2c1CCN(C(=O)c1ccco1)C2 ZINC000886629095 592281472 /nfs/dbraw/zinc/28/14/72/592281472.db2.gz SATMYKXRCGOZRP-UHFFFAOYSA-N 1 2 245.282 1.695 20 0 BDADLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3ncccn3)C2)n1 ZINC000886680363 592299511 /nfs/dbraw/zinc/29/95/11/592299511.db2.gz CFHIWYCHNHGRSQ-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO c1c[nH]c(C[N@H+]2CCC[C@H](c3ncccn3)C2)n1 ZINC000886680363 592299515 /nfs/dbraw/zinc/29/95/15/592299515.db2.gz CFHIWYCHNHGRSQ-NSHDSACASA-N 1 2 243.314 1.579 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886753136 592316988 /nfs/dbraw/zinc/31/69/88/592316988.db2.gz BYZCLTVCDKYWNC-YUMQZZPRSA-N 1 2 244.364 1.181 20 0 BDADLO CO[C@@H](C)[C@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886753136 592316992 /nfs/dbraw/zinc/31/69/92/592316992.db2.gz BYZCLTVCDKYWNC-YUMQZZPRSA-N 1 2 244.364 1.181 20 0 BDADLO CCOC(=O)[C@@]1(F)C[N@H+](CCF)C[C@@H]1CC ZINC000886877433 592380030 /nfs/dbraw/zinc/38/00/30/592380030.db2.gz IOBOTRNOPAQZKI-GXSJLCMTSA-N 1 2 235.274 1.569 20 0 BDADLO CCOC(=O)[C@@]1(F)C[N@@H+](CCF)C[C@@H]1CC ZINC000886877433 592380035 /nfs/dbraw/zinc/38/00/35/592380035.db2.gz IOBOTRNOPAQZKI-GXSJLCMTSA-N 1 2 235.274 1.569 20 0 BDADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]C(C)C ZINC000886954923 592399777 /nfs/dbraw/zinc/39/97/77/592399777.db2.gz OTIAABMTKPWAAX-UWVGGRQHSA-N 1 2 215.293 1.095 20 0 BDADLO O=C(N[C@]12C[C@H]1CCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000887033010 592426089 /nfs/dbraw/zinc/42/60/89/592426089.db2.gz IYSIQIDCVMIISY-JTNHKYCSSA-N 1 2 245.326 1.504 20 0 BDADLO CC[C@H](C[N@@H+]1CCSC[C@H]1C(=O)OC)OC ZINC000887077487 592436063 /nfs/dbraw/zinc/43/60/63/592436063.db2.gz NAUUKHIIYPLUBE-ZJUUUORDSA-N 1 2 247.360 1.002 20 0 BDADLO CC[C@H](C[N@H+]1CCSC[C@H]1C(=O)OC)OC ZINC000887077487 592436066 /nfs/dbraw/zinc/43/60/66/592436066.db2.gz NAUUKHIIYPLUBE-ZJUUUORDSA-N 1 2 247.360 1.002 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1([C@@H]2CCCCO2)CC1 ZINC000887087445 592437771 /nfs/dbraw/zinc/43/77/71/592437771.db2.gz RCSANVHLUFHOTL-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO CCOC[C@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887099224 592441519 /nfs/dbraw/zinc/44/15/19/592441519.db2.gz VYXODYVOTBFQIY-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CCOC[C@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887099224 592441521 /nfs/dbraw/zinc/44/15/21/592441521.db2.gz VYXODYVOTBFQIY-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO O[C@@H](C[N@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102605 592443357 /nfs/dbraw/zinc/44/33/57/592443357.db2.gz XCNUABGTOPTQQT-JTQLQIEISA-N 1 2 219.275 1.877 20 0 BDADLO CC(=O)[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC000887251443 592472009 /nfs/dbraw/zinc/47/20/09/592472009.db2.gz QRXVJBADZPGEQH-HAQNSBGRSA-N 1 2 249.314 1.147 20 0 BDADLO CCn1cc(C[N@H+](C)CCc2ccccn2)nn1 ZINC000887261835 592473419 /nfs/dbraw/zinc/47/34/19/592473419.db2.gz VCTSTKTYJMFJPN-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1cc(C[N@@H+](C)CCc2ccccn2)nn1 ZINC000887261835 592473420 /nfs/dbraw/zinc/47/34/20/592473420.db2.gz VCTSTKTYJMFJPN-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1cc(C[N@H+](C)[C@@H](C)c2ccncc2)nn1 ZINC000887555417 592525700 /nfs/dbraw/zinc/52/57/00/592525700.db2.gz KSKNMACAUOYCQX-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO CCn1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)nn1 ZINC000887555417 592525701 /nfs/dbraw/zinc/52/57/01/592525701.db2.gz KSKNMACAUOYCQX-NSHDSACASA-N 1 2 245.330 1.886 20 0 BDADLO COCC1CN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000887936135 592561220 /nfs/dbraw/zinc/56/12/20/592561220.db2.gz VZBNJYYWJPNJPZ-UHFFFAOYSA-N 1 2 249.314 1.230 20 0 BDADLO O=C(Cn1cc[nH+]c1)N(Cc1ccoc1)C1CC1 ZINC000889090537 592578926 /nfs/dbraw/zinc/57/89/26/592578926.db2.gz OJOYMSPCELQPGL-UHFFFAOYSA-N 1 2 245.282 1.667 20 0 BDADLO Cc1ccc(N2C(=O)C[C@H]([NH3+])C2=O)cc1Cl ZINC000104669587 592619718 /nfs/dbraw/zinc/61/97/18/592619718.db2.gz KRAJYZSMRKYHNI-VIFPVBQESA-N 1 2 238.674 1.239 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889603627 592626932 /nfs/dbraw/zinc/62/69/32/592626932.db2.gz RGOVORWVLSVDGT-KGYLQXTDSA-N 1 2 247.342 1.658 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889608248 592628176 /nfs/dbraw/zinc/62/81/76/592628176.db2.gz FJOPEHSPVMTKQP-OPRDCNLKSA-N 1 2 219.288 1.257 20 0 BDADLO CC(C)[C@H](F)C(=O)NCc1cn(C)c[nH+]1 ZINC000890107582 592675253 /nfs/dbraw/zinc/67/52/53/592675253.db2.gz MCYOJKDSFGDWHN-VIFPVBQESA-N 1 2 213.256 1.030 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000890100703 592679869 /nfs/dbraw/zinc/67/98/69/592679869.db2.gz WINFVKZOTIFPNT-ZSBIGDGJSA-N 1 2 247.342 1.863 20 0 BDADLO CC/C(C)=C/C(=O)NCc1cn(C)c[nH+]1 ZINC000890104999 592681066 /nfs/dbraw/zinc/68/10/66/592681066.db2.gz UYSFOTYGICOJTM-WEVVVXLNSA-N 1 2 207.277 1.393 20 0 BDADLO Cc1cc(C(=O)NCc2cn(C)c[nH+]2)co1 ZINC000890106942 592681363 /nfs/dbraw/zinc/68/13/63/592681363.db2.gz FAINJYSQRIBBFN-UHFFFAOYSA-N 1 2 219.244 1.252 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C(C)(C)C2CC2)c1 ZINC000890108373 592682508 /nfs/dbraw/zinc/68/25/08/592682508.db2.gz YGXCGGVLGVSWES-UHFFFAOYSA-N 1 2 221.304 1.473 20 0 BDADLO CC(C)=C(C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109513 592682585 /nfs/dbraw/zinc/68/25/85/592682585.db2.gz DADILPDMOWREOQ-UHFFFAOYSA-N 1 2 207.277 1.393 20 0 BDADLO CCc1ccc(C(=O)NCc2cn(C)c[nH+]2)s1 ZINC000890116819 592685372 /nfs/dbraw/zinc/68/53/72/592685372.db2.gz BENQHIUUTQLSJE-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO Cc1ccc(CC(=O)NCc2cn(C)c[nH+]2)cc1 ZINC000890117229 592685769 /nfs/dbraw/zinc/68/57/69/592685769.db2.gz JBIIPMXPWOHJSE-UHFFFAOYSA-N 1 2 243.310 1.587 20 0 BDADLO O=C([O-])CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000381359220 597318095 /nfs/dbraw/zinc/31/80/95/597318095.db2.gz CVCQFOQPUWBFKJ-UHFFFAOYSA-N 1 2 223.276 1.064 20 0 BDADLO C[C@H]([NH2+]CC(=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000820142569 597718247 /nfs/dbraw/zinc/71/82/47/597718247.db2.gz XFWUTDAAGAUKDO-JTQLQIEISA-N 1 2 245.282 1.608 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]CCCCn1cc[nH+]c1 ZINC000045107116 598215177 /nfs/dbraw/zinc/21/51/77/598215177.db2.gz RWIZNQZLBFLCQB-JTQLQIEISA-N 1 2 225.292 1.116 20 0 BDADLO C[C@@H](CC(=O)[O-])[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000044993050 598215213 /nfs/dbraw/zinc/21/52/13/598215213.db2.gz ONLMANFUBOINIJ-QWRGUYRKSA-N 1 2 228.336 1.314 20 0 BDADLO O=C([O-])c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000054126971 600831007 /nfs/dbraw/zinc/83/10/07/600831007.db2.gz LIEIRSALFGZHPD-UHFFFAOYSA-N 1 2 248.326 1.570 20 0 BDADLO C[C@@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000381513347 601325495 /nfs/dbraw/zinc/32/54/95/601325495.db2.gz RRYKQJFKCDBTKW-QMMMGPOBSA-N 1 2 223.276 1.062 20 0 BDADLO CC(C)CNC(=S)NCCc1cn(C)c[nH+]1 ZINC000313473749 634463361 /nfs/dbraw/zinc/46/33/61/634463361.db2.gz PHCHVFKOGUTVAM-UHFFFAOYSA-N 1 2 240.376 1.083 20 0 BDADLO CC[C@@H]1CC[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000909383575 634573303 /nfs/dbraw/zinc/57/33/03/634573303.db2.gz HSGCOLBSSRXSFQ-WDEREUQCSA-N 1 2 235.331 1.989 20 0 BDADLO CCCNc1cc(N2CC[C@H](CO)C2)nc[nH+]1 ZINC000163092991 635401625 /nfs/dbraw/zinc/40/16/25/635401625.db2.gz NKXZSYABXQLZBC-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CCCNc1cc(N2CC[C@H](CO)C2)[nH+]cn1 ZINC000163092991 635401638 /nfs/dbraw/zinc/40/16/38/635401638.db2.gz NKXZSYABXQLZBC-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO COCC1=CC[N@H+](Cc2nccn2C2CC2)CC1 ZINC000893681555 635445557 /nfs/dbraw/zinc/44/55/57/635445557.db2.gz IVPLTRHZGFVJMC-UHFFFAOYSA-N 1 2 247.342 1.997 20 0 BDADLO COCC1=CC[N@@H+](Cc2nccn2C2CC2)CC1 ZINC000893681555 635445564 /nfs/dbraw/zinc/44/55/64/635445564.db2.gz IVPLTRHZGFVJMC-UHFFFAOYSA-N 1 2 247.342 1.997 20 0 BDADLO c1nn[nH]c1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931929376 635465804 /nfs/dbraw/zinc/46/58/04/635465804.db2.gz ZUXNPKHMSQVRTQ-OCCSQVGLSA-N 1 2 240.310 1.578 20 0 BDADLO c1nn[nH]c1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931929376 635465808 /nfs/dbraw/zinc/46/58/08/635465808.db2.gz ZUXNPKHMSQVRTQ-OCCSQVGLSA-N 1 2 240.310 1.578 20 0 BDADLO c1[nH]nnc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931929376 635465815 /nfs/dbraw/zinc/46/58/15/635465815.db2.gz ZUXNPKHMSQVRTQ-OCCSQVGLSA-N 1 2 240.310 1.578 20 0 BDADLO c1[nH]nnc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931929376 635465819 /nfs/dbraw/zinc/46/58/19/635465819.db2.gz ZUXNPKHMSQVRTQ-OCCSQVGLSA-N 1 2 240.310 1.578 20 0 BDADLO c1n[nH]nc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931929376 635465828 /nfs/dbraw/zinc/46/58/28/635465828.db2.gz ZUXNPKHMSQVRTQ-OCCSQVGLSA-N 1 2 240.310 1.578 20 0 BDADLO c1n[nH]nc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931929376 635465832 /nfs/dbraw/zinc/46/58/32/635465832.db2.gz ZUXNPKHMSQVRTQ-OCCSQVGLSA-N 1 2 240.310 1.578 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000982065032 635486599 /nfs/dbraw/zinc/48/65/99/635486599.db2.gz NNELVVGXRBKDNG-LBPRGKRZSA-N 1 2 244.354 1.782 20 0 BDADLO CC(C)[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000982065032 635486612 /nfs/dbraw/zinc/48/66/12/635486612.db2.gz NNELVVGXRBKDNG-LBPRGKRZSA-N 1 2 244.354 1.782 20 0 BDADLO CNc1cc(N2CCC[C@@H](COC)C2)nc[nH+]1 ZINC000234576366 635557304 /nfs/dbraw/zinc/55/73/04/635557304.db2.gz KOBDIMRSDYMGSX-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N2CCC[C@@H](COC)C2)[nH+]cn1 ZINC000234576366 635557307 /nfs/dbraw/zinc/55/73/07/635557307.db2.gz KOBDIMRSDYMGSX-SNVBAGLBSA-N 1 2 236.319 1.381 20 0 BDADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CNOC2)c(C)s1 ZINC000925867407 635571964 /nfs/dbraw/zinc/57/19/64/635571964.db2.gz NKNZFUSYJXKOQW-HZGVNTEJSA-N 1 2 227.333 1.314 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]1C1CCCC1 ZINC000889408163 635598274 /nfs/dbraw/zinc/59/82/74/635598274.db2.gz XYSGMGCXVVUOEH-ZDUSSCGKSA-N 1 2 247.342 1.754 20 0 BDADLO Nc1ccc(CNC(=O)C2CC=CC2)c[nH+]1 ZINC000308391440 631253147 /nfs/dbraw/zinc/25/31/47/631253147.db2.gz MNPKRNNVXJDLJH-UHFFFAOYSA-N 1 2 217.272 1.246 20 0 BDADLO CC/C=C(\C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000308391430 631253882 /nfs/dbraw/zinc/25/38/82/631253882.db2.gz MMZNYKPNCOLDOF-RUDMXATFSA-N 1 2 219.288 1.636 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000933328509 631260159 /nfs/dbraw/zinc/26/01/59/631260159.db2.gz XJIJSMANRRICCW-LLVKDONJSA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000933328509 631260163 /nfs/dbraw/zinc/26/01/63/631260163.db2.gz XJIJSMANRRICCW-LLVKDONJSA-N 1 2 227.329 1.595 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1CCOCC(C)C ZINC000933331335 631263124 /nfs/dbraw/zinc/26/31/24/631263124.db2.gz MDPNCEUCBVBWOJ-GFCCVEGCSA-N 1 2 231.336 1.006 20 0 BDADLO COC[C@@H]1COCC[N@H+]1CCOCC(C)C ZINC000933331335 631263127 /nfs/dbraw/zinc/26/31/27/631263127.db2.gz MDPNCEUCBVBWOJ-GFCCVEGCSA-N 1 2 231.336 1.006 20 0 BDADLO Nc1ccc(CNC(=O)C(C2CC2)C2CC2)c[nH+]1 ZINC000308394415 631312615 /nfs/dbraw/zinc/31/26/15/631312615.db2.gz UQGSFNCXUPYOBI-UHFFFAOYSA-N 1 2 245.326 1.716 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCC1CC1 ZINC000290626879 631410716 /nfs/dbraw/zinc/41/07/16/631410716.db2.gz CMJVHBRZXCINRV-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH+]1CCC(C(C)=O)CC1 ZINC000084103611 631433694 /nfs/dbraw/zinc/43/36/94/631433694.db2.gz DJXSZHKZVJARRJ-GFCCVEGCSA-N 1 2 241.331 1.629 20 0 BDADLO C[C@@H]1COCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000051323402 631468264 /nfs/dbraw/zinc/46/82/64/631468264.db2.gz HDYFHCBAJJUHER-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@@H]1COCC[N@H+]1C[C@H](O)c1cccc(F)c1 ZINC000051323402 631468266 /nfs/dbraw/zinc/46/82/66/631468266.db2.gz HDYFHCBAJJUHER-MFKMUULPSA-N 1 2 239.290 1.580 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@H]2OC)nc[nH+]1 ZINC000087826173 631482958 /nfs/dbraw/zinc/48/29/58/631482958.db2.gz GTPDQNWFKHXFLN-RKDXNWHRSA-N 1 2 222.292 1.498 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@H]2OC)[nH+]cn1 ZINC000087826173 631482963 /nfs/dbraw/zinc/48/29/63/631482963.db2.gz GTPDQNWFKHXFLN-RKDXNWHRSA-N 1 2 222.292 1.498 20 0 BDADLO Cc1n[nH]c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000893867524 635633159 /nfs/dbraw/zinc/63/31/59/635633159.db2.gz VEDPRPMIRBZTTC-DTORHVGOSA-N 1 2 223.320 1.636 20 0 BDADLO Cc1n[nH]c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000893867524 635633165 /nfs/dbraw/zinc/63/31/65/635633165.db2.gz VEDPRPMIRBZTTC-DTORHVGOSA-N 1 2 223.320 1.636 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000934011077 631587949 /nfs/dbraw/zinc/58/79/49/631587949.db2.gz JGXXGQBUFPJCIL-JTQLQIEISA-N 1 2 212.680 1.302 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000934011077 631587958 /nfs/dbraw/zinc/58/79/58/631587958.db2.gz JGXXGQBUFPJCIL-JTQLQIEISA-N 1 2 212.680 1.302 20 0 BDADLO CNc1cc(N2CCC([C@@H](C)O)CC2)nc[nH+]1 ZINC000234572231 631639075 /nfs/dbraw/zinc/63/90/75/631639075.db2.gz VMFWSZJMLYBVEZ-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO CNc1cc(N2CCC([C@@H](C)O)CC2)[nH+]cn1 ZINC000234572231 631639081 /nfs/dbraw/zinc/63/90/81/631639081.db2.gz VMFWSZJMLYBVEZ-SECBINFHSA-N 1 2 236.319 1.116 20 0 BDADLO Cc1[nH+]ccn1CCN[C@H]1C[C@H](C)n2ncnc21 ZINC000924873374 635681705 /nfs/dbraw/zinc/68/17/05/635681705.db2.gz MRMWNJRBHKSTNX-ONGXEEELSA-N 1 2 246.318 1.079 20 0 BDADLO Cc1nccn1CC[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000924873374 635681714 /nfs/dbraw/zinc/68/17/14/635681714.db2.gz MRMWNJRBHKSTNX-ONGXEEELSA-N 1 2 246.318 1.079 20 0 BDADLO CS/C=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000308806065 631667396 /nfs/dbraw/zinc/66/73/96/631667396.db2.gz AYCBQNNADPDCDC-HWKANZROSA-N 1 2 224.285 1.584 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cnns1 ZINC000934107279 631676226 /nfs/dbraw/zinc/67/62/26/631676226.db2.gz LCELUDQDSKTQDW-DTWKUNHWSA-N 1 2 213.306 1.147 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cnns1 ZINC000934107279 631676230 /nfs/dbraw/zinc/67/62/30/631676230.db2.gz LCELUDQDSKTQDW-DTWKUNHWSA-N 1 2 213.306 1.147 20 0 BDADLO CC(C)n1cc([C@H](C)[NH2+]CCF)nn1 ZINC000926347804 631726753 /nfs/dbraw/zinc/72/67/53/631726753.db2.gz IXNGGTITVKHKKI-QMMMGPOBSA-N 1 2 200.261 1.479 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000309041946 631826050 /nfs/dbraw/zinc/82/60/50/631826050.db2.gz LTEXUFFCWSNCAL-JECWYVHBSA-N 1 2 221.247 1.571 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@]2(C)C2CC2)o1 ZINC000934476601 631871224 /nfs/dbraw/zinc/87/12/24/631871224.db2.gz WXEKELIEIBJQGU-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@]2(C)C2CC2)o1 ZINC000934476601 631871229 /nfs/dbraw/zinc/87/12/29/631871229.db2.gz WXEKELIEIBJQGU-CYBMUJFWSA-N 1 2 236.315 1.984 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934479407 631874226 /nfs/dbraw/zinc/87/42/26/631874226.db2.gz RPLHAIVSMYGPJW-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO CCCNC(=O)C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934479407 631874228 /nfs/dbraw/zinc/87/42/28/631874228.db2.gz RPLHAIVSMYGPJW-CYBMUJFWSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccoc1 ZINC000309097809 631880847 /nfs/dbraw/zinc/88/08/47/631880847.db2.gz DNABKMDYLJNFEW-SECBINFHSA-N 1 2 205.261 1.864 20 0 BDADLO CC(=O)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490946 631883694 /nfs/dbraw/zinc/88/36/94/631883694.db2.gz BDUMBUIPCPYBJX-LBPRGKRZSA-N 1 2 245.326 1.455 20 0 BDADLO CC(=O)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490946 631883700 /nfs/dbraw/zinc/88/37/00/631883700.db2.gz BDUMBUIPCPYBJX-LBPRGKRZSA-N 1 2 245.326 1.455 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cs1 ZINC000934562717 631925778 /nfs/dbraw/zinc/92/57/78/631925778.db2.gz BCPPXZMPZYTWTK-GHMZBOCLSA-N 1 2 229.320 1.961 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cs1 ZINC000934562717 631925780 /nfs/dbraw/zinc/92/57/80/631925780.db2.gz BCPPXZMPZYTWTK-GHMZBOCLSA-N 1 2 229.320 1.961 20 0 BDADLO O[C@@H]1CC[N@H+](CCc2cncs2)C[C@@H]1F ZINC000934563634 631927450 /nfs/dbraw/zinc/92/74/50/631927450.db2.gz FPOTXLYOXAPALN-VHSXEESVSA-N 1 2 230.308 1.090 20 0 BDADLO O[C@@H]1CC[N@@H+](CCc2cncs2)C[C@@H]1F ZINC000934563634 631927456 /nfs/dbraw/zinc/92/74/56/631927456.db2.gz FPOTXLYOXAPALN-VHSXEESVSA-N 1 2 230.308 1.090 20 0 BDADLO Nc1cc(COC(=O)c2cscn2)cc[nH+]1 ZINC000309384228 632022613 /nfs/dbraw/zinc/02/26/13/632022613.db2.gz AGEASZOWOYIBGN-UHFFFAOYSA-N 1 2 235.268 1.477 20 0 BDADLO CCc1cc(NC[C@H](O)C2CC2)nc(CC)[nH+]1 ZINC000892319332 632047083 /nfs/dbraw/zinc/04/70/83/632047083.db2.gz LVGCGFFMJGZSEK-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cncn1C ZINC000926442875 632056013 /nfs/dbraw/zinc/05/60/13/632056013.db2.gz KQZNVURUCMYYEL-NSHDSACASA-N 1 2 246.314 1.884 20 0 BDADLO CO[C@@H]1C[N@H+](CC(=O)OCC(C)C)CC[C@H]1C ZINC000251497850 635704725 /nfs/dbraw/zinc/70/47/25/635704725.db2.gz BJUWOIFVWIFLIU-VXGBXAGGSA-N 1 2 243.347 1.542 20 0 BDADLO CO[C@@H]1C[N@@H+](CC(=O)OCC(C)C)CC[C@H]1C ZINC000251497850 635704730 /nfs/dbraw/zinc/70/47/30/635704730.db2.gz BJUWOIFVWIFLIU-VXGBXAGGSA-N 1 2 243.347 1.542 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cnn(C)n2)ccn1 ZINC000926507243 632405210 /nfs/dbraw/zinc/40/52/10/632405210.db2.gz WXYATACREQBNTL-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CNc1cc(N(C)Cc2ccncc2)nc[nH+]1 ZINC000129562984 632429656 /nfs/dbraw/zinc/42/96/56/632429656.db2.gz AQVQSQPSHMHPKK-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO CNc1cc(N(C)Cc2ccncc2)[nH+]cn1 ZINC000129562984 632429661 /nfs/dbraw/zinc/42/96/61/632429661.db2.gz AQVQSQPSHMHPKK-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO C[C@H](C[NH+]1CCN(C)CC1)Nc1nccs1 ZINC000309526959 632470604 /nfs/dbraw/zinc/47/06/04/632470604.db2.gz CTBBZHOTPJUXPD-SNVBAGLBSA-N 1 2 240.376 1.191 20 0 BDADLO c1snnc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000309561012 632534903 /nfs/dbraw/zinc/53/49/03/632534903.db2.gz OTEKIPUGXLXNIQ-JTQLQIEISA-N 1 2 243.332 1.171 20 0 BDADLO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ncc[nH]1 ZINC000926561911 632551914 /nfs/dbraw/zinc/55/19/14/632551914.db2.gz BZKZUPFWKVHMTL-GARJFASQSA-N 1 2 248.330 1.214 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)CC2CCC2)[nH]1 ZINC000658159977 632682065 /nfs/dbraw/zinc/68/20/65/632682065.db2.gz VAHOVPHYEALRRQ-SECBINFHSA-N 1 2 238.335 1.619 20 0 BDADLO CCCCN(CCOC)c1cc(NC)[nH+]cn1 ZINC000892439300 632713730 /nfs/dbraw/zinc/71/37/30/632713730.db2.gz DXCAPBZBNHUBOB-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCCCN(CCOC)c1cc(NC)nc[nH+]1 ZINC000892439300 632713733 /nfs/dbraw/zinc/71/37/33/632713733.db2.gz DXCAPBZBNHUBOB-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO C[C@H]([NH2+]CCCCO)C(=O)OC(C)(C)C ZINC000235513670 632770607 /nfs/dbraw/zinc/77/06/07/632770607.db2.gz ZBLARKQVDCTXLS-VIFPVBQESA-N 1 2 217.309 1.079 20 0 BDADLO O=C(NCCC1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000153551515 632819918 /nfs/dbraw/zinc/81/99/18/632819918.db2.gz DHYCDISRZYSMEF-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO COCc1nnc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)[nH]1 ZINC000926691968 632827449 /nfs/dbraw/zinc/82/74/49/632827449.db2.gz FOWUDRIKTYIEIG-IUCAKERBSA-N 1 2 238.335 1.475 20 0 BDADLO Cc1[nH]ncc1C[NH2+]CCOC1CCC1 ZINC000309241409 632835632 /nfs/dbraw/zinc/83/56/32/632835632.db2.gz YHXNGWSHLWFYMM-UHFFFAOYSA-N 1 2 209.293 1.377 20 0 BDADLO CCc1cccnc1-c1noc([C@H]([NH3+])COC)n1 ZINC000157317535 632904972 /nfs/dbraw/zinc/90/49/72/632904972.db2.gz GLCFEOZRBVQJQF-SECBINFHSA-N 1 2 248.286 1.340 20 0 BDADLO COCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309315517 632927491 /nfs/dbraw/zinc/92/74/91/632927491.db2.gz YOMUWTFOGSWOCL-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO COC[C@H]([NH2+]CC(=O)OCC(C)C)C(C)C ZINC000309454835 633087280 /nfs/dbraw/zinc/08/72/80/633087280.db2.gz MBRVFXSEXQJZHL-NSHDSACASA-N 1 2 231.336 1.446 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C=CCC1 ZINC000935922445 633106562 /nfs/dbraw/zinc/10/65/62/633106562.db2.gz DLHUBVTXLRRZDX-BXUZGUMPSA-N 1 2 245.326 1.670 20 0 BDADLO CCc1nc(N2CCC3(C2)OCCO3)cc(C)[nH+]1 ZINC000306609213 635972113 /nfs/dbraw/zinc/97/21/13/635972113.db2.gz JZPVGFFTGIKJIL-UHFFFAOYSA-N 1 2 249.314 1.301 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000889605856 636055016 /nfs/dbraw/zinc/05/50/16/636055016.db2.gz LDKWJIWMQRHADU-HOSYDEDBSA-N 1 2 233.315 1.565 20 0 BDADLO C[C@@H]([NH2+]Cc1ccnn1C)c1ccn(C)n1 ZINC000020349973 636131544 /nfs/dbraw/zinc/13/15/44/636131544.db2.gz OALVSKIXAYZNFG-SECBINFHSA-N 1 2 219.292 1.004 20 0 BDADLO C[C@H]1OCCN(c2cc(N(C)C)[nH+]cn2)[C@@H]1C ZINC000892942195 633749523 /nfs/dbraw/zinc/74/95/23/633749523.db2.gz UBRDJAQAHCMJKR-NXEZZACHSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@H]1OCCN(c2cc(N(C)C)nc[nH+]2)[C@@H]1C ZINC000892942195 633749532 /nfs/dbraw/zinc/74/95/32/633749532.db2.gz UBRDJAQAHCMJKR-NXEZZACHSA-N 1 2 236.319 1.156 20 0 BDADLO C[C@H](CO)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000893012018 633811509 /nfs/dbraw/zinc/81/15/09/633811509.db2.gz ZSMCQHPELBJEPZ-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO C[C@H](CO)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000893012018 633811516 /nfs/dbraw/zinc/81/15/16/633811516.db2.gz ZSMCQHPELBJEPZ-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO COc1cc[nH+]cc1NCc1cn(C)cn1 ZINC000309894453 633911474 /nfs/dbraw/zinc/91/14/74/633911474.db2.gz FGCLRGIOXPCMBP-UHFFFAOYSA-N 1 2 218.260 1.436 20 0 BDADLO CC(C)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181635943 633922714 /nfs/dbraw/zinc/92/27/14/633922714.db2.gz KOFIBLXMEHMIIR-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@@H](F)C1 ZINC000930623006 633944991 /nfs/dbraw/zinc/94/49/91/633944991.db2.gz MQXYGTWKGKQOMK-BBBLOLIVSA-N 1 2 217.284 1.618 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](F)C1 ZINC000930623006 633944988 /nfs/dbraw/zinc/94/49/88/633944988.db2.gz MQXYGTWKGKQOMK-BBBLOLIVSA-N 1 2 217.284 1.618 20 0 BDADLO COCCOC[C@H](C)Nc1[nH+]cccc1OC ZINC000893267087 634011794 /nfs/dbraw/zinc/01/17/94/634011794.db2.gz WAWFTPBILSCQJR-JTQLQIEISA-N 1 2 240.303 1.554 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N(C)C(C)C)c[nH+]1 ZINC000895563620 636158404 /nfs/dbraw/zinc/15/84/04/636158404.db2.gz JFJJBRKGAUWEGU-UHFFFAOYSA-N 1 2 223.320 1.793 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)C(F)F ZINC000194758451 634333068 /nfs/dbraw/zinc/33/30/68/634333068.db2.gz VJYCQPMNVHHMQR-UHFFFAOYSA-N 1 2 225.198 1.216 20 0 BDADLO Cc1nc2ccccn2c1C[NH2+]Cc1ccon1 ZINC000094722733 635387458 /nfs/dbraw/zinc/38/74/58/635387458.db2.gz WBPJPNOUYXGDLP-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO O=C(/C=C/c1cccs1)NCCn1cc[nH+]c1 ZINC000067182146 635688324 /nfs/dbraw/zinc/68/83/24/635688324.db2.gz IAHVNOBVCPNKPL-ONEGZZNKSA-N 1 2 247.323 1.774 20 0 BDADLO Cc1[nH]c(CNC(=O)c2cc(C)ncn2)[nH+]c1C ZINC000896915897 636257374 /nfs/dbraw/zinc/25/73/74/636257374.db2.gz NKJWOKIJVNNIRY-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccon1 ZINC000897340175 636348833 /nfs/dbraw/zinc/34/88/33/636348833.db2.gz VLTKJPLIROEAHG-KGLIPLIRSA-N 1 2 244.294 1.813 20 0 BDADLO C[C@H]1C[NH+](Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000751926785 636450312 /nfs/dbraw/zinc/45/03/12/636450312.db2.gz IDMGXOHNTCSHHA-QWRGUYRKSA-N 1 2 246.314 1.041 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(CC(F)F)C1CCC1 ZINC000925254342 636525251 /nfs/dbraw/zinc/52/52/51/636525251.db2.gz QAAZAEWBWHOXJZ-UHFFFAOYSA-N 1 2 243.257 1.598 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)C[C@H](C)O1 ZINC000929123625 636813101 /nfs/dbraw/zinc/81/31/01/636813101.db2.gz AEVINVWTSOEERO-PHIMTYICSA-N 1 2 241.310 1.462 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnn(CCF)c2)C[C@H](C)O1 ZINC000929123625 636813106 /nfs/dbraw/zinc/81/31/06/636813106.db2.gz AEVINVWTSOEERO-PHIMTYICSA-N 1 2 241.310 1.462 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000041042053 636955935 /nfs/dbraw/zinc/95/59/35/636955935.db2.gz VRXWAKCPVAFNAN-VWYCJHECSA-N 1 2 229.320 1.343 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923889615 636998905 /nfs/dbraw/zinc/99/89/05/636998905.db2.gz UJXZKNZFBQQEDY-WDEREUQCSA-N 1 2 241.331 1.770 20 0 BDADLO CCC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923889615 636998908 /nfs/dbraw/zinc/99/89/08/636998908.db2.gz UJXZKNZFBQQEDY-WDEREUQCSA-N 1 2 241.331 1.770 20 0 BDADLO c1[nH]cc([C@@H]2C[C@H]2c2nc(C3CC3)no2)[nH+]1 ZINC000923800607 637016330 /nfs/dbraw/zinc/01/63/30/637016330.db2.gz FUHKEDOEUAFVBV-HTQZYQBOSA-N 1 2 216.244 1.941 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC1CCC1 ZINC000901009952 637222177 /nfs/dbraw/zinc/22/21/77/637222177.db2.gz UJYKDJVRXAIWQC-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO CN(C)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000436092744 637307094 /nfs/dbraw/zinc/30/70/94/637307094.db2.gz YHGRVUMKRLVQRR-JTQLQIEISA-N 1 2 236.319 1.281 20 0 BDADLO CC[C@@](C)(O)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904264841 637394884 /nfs/dbraw/zinc/39/48/84/637394884.db2.gz AAHUUCAEVKPMSX-GFCCVEGCSA-N 1 2 248.286 1.640 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1noc(C(C)(C)O)n1 ZINC000904267535 637395255 /nfs/dbraw/zinc/39/52/55/637395255.db2.gz FSBRCSCQAJSLLO-UHFFFAOYSA-N 1 2 234.259 1.250 20 0 BDADLO Cc1noc(Cc2cn3cc(F)ccc3[nH+]2)n1 ZINC000904579571 637438071 /nfs/dbraw/zinc/43/80/71/637438071.db2.gz PZMVLFTVPMARLX-UHFFFAOYSA-N 1 2 232.218 1.756 20 0 BDADLO Cn1c[nH+]cc1C[S@@](=O)C/C=C/Cl ZINC000905186901 637668114 /nfs/dbraw/zinc/66/81/14/637668114.db2.gz GZLAKOIVDUVGRL-IBUXWKBASA-N 1 2 218.709 1.421 20 0 BDADLO C[C@H]1CCN[C@H](c2nc(C3([NH3+])CC3)no2)C1 ZINC000905324716 637752733 /nfs/dbraw/zinc/75/27/33/637752733.db2.gz OWYXUODVSGFKNX-YUMQZZPRSA-N 1 2 222.292 1.078 20 0 BDADLO Cc1cc(C)c(C(=O)N2CCO[C@H](C)C2)c(C)[nH+]1 ZINC000905587050 637855817 /nfs/dbraw/zinc/85/58/17/637855817.db2.gz RRLFMIMYIUUHSL-LLVKDONJSA-N 1 2 248.326 1.868 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCc1ccoc1)C(=O)OC ZINC000905776022 637906832 /nfs/dbraw/zinc/90/68/32/637906832.db2.gz ZTXZNIRHGSDNDH-ZYHUDNBSSA-N 1 2 239.315 1.999 20 0 BDADLO CCOC(C)(C)C[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000905765491 637921715 /nfs/dbraw/zinc/92/17/15/637921715.db2.gz OUZLWICFXJUCOO-MNOVXSKESA-N 1 2 245.363 1.979 20 0 BDADLO CC[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C(=O)OC ZINC000905822925 637943939 /nfs/dbraw/zinc/94/39/39/637943939.db2.gz KVLVPYHKLSNRGJ-MNOVXSKESA-N 1 2 241.331 1.487 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1COC[C@@H]1C ZINC000905869032 637954073 /nfs/dbraw/zinc/95/40/73/637954073.db2.gz YDOMQVMJFXILKV-SRVKXCTJSA-N 1 2 243.347 1.589 20 0 BDADLO Cc1cc(C)c(C(=O)NCCCO)c(C)[nH+]1 ZINC000906043735 638033294 /nfs/dbraw/zinc/03/32/94/638033294.db2.gz TZHOYLGOHJHVOP-UHFFFAOYSA-N 1 2 222.288 1.119 20 0 BDADLO CCCCOC(=O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000043447872 638346779 /nfs/dbraw/zinc/34/67/79/638346779.db2.gz WSOKXDOTXJMZMZ-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO CCCCOC(=O)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000043447872 638346785 /nfs/dbraw/zinc/34/67/85/638346785.db2.gz WSOKXDOTXJMZMZ-GFCCVEGCSA-N 1 2 243.347 1.831 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC[C@H]1CCOC1 ZINC000907346356 638353036 /nfs/dbraw/zinc/35/30/36/638353036.db2.gz TWVCKXINDIQYMB-NSHDSACASA-N 1 2 249.314 1.036 20 0 BDADLO C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCO[C@H]1C1CC1 ZINC000907351272 638358253 /nfs/dbraw/zinc/35/82/53/638358253.db2.gz OGJIVTGFNSNYMS-STQMWFEESA-N 1 2 249.314 1.026 20 0 BDADLO CC(C)OCCNC(=O)CNc1cccc[nH+]1 ZINC000907357457 638359308 /nfs/dbraw/zinc/35/93/08/638359308.db2.gz WFBHYPYVOSGRSG-UHFFFAOYSA-N 1 2 237.303 1.035 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000907404632 638373464 /nfs/dbraw/zinc/37/34/64/638373464.db2.gz MLTJFOCWXFADKL-ZYHUDNBSSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000907807722 638469628 /nfs/dbraw/zinc/46/96/28/638469628.db2.gz LHNSXRCOFMSVDU-LLVKDONJSA-N 1 2 245.286 1.039 20 0 BDADLO C[C@H]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907909605 638508114 /nfs/dbraw/zinc/50/81/14/638508114.db2.gz AVEGUIFYTOSWGG-VHSXEESVSA-N 1 2 221.304 1.505 20 0 BDADLO Cc1ccncc1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000907903309 638508912 /nfs/dbraw/zinc/50/89/12/638508912.db2.gz ALDDAXLDGVIGBD-UHFFFAOYSA-N 1 2 244.298 1.314 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CCC[C@H]2C[C@H]21 ZINC000908133573 638578033 /nfs/dbraw/zinc/57/80/33/638578033.db2.gz NOSDRUDIDHCCRF-WDEREUQCSA-N 1 2 231.299 1.504 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1(C(F)F)CCCC1 ZINC000908245495 638624023 /nfs/dbraw/zinc/62/40/23/638624023.db2.gz BECWWORCJUIAOL-UHFFFAOYSA-N 1 2 243.257 1.646 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@@H]2COC(=O)C2)c(C)[nH+]1 ZINC000908316115 638638306 /nfs/dbraw/zinc/63/83/06/638638306.db2.gz OOCRZDKVDRXYPP-JTQLQIEISA-N 1 2 248.282 1.052 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc(C2CC2)ccn1 ZINC000908297337 638648177 /nfs/dbraw/zinc/64/81/77/638648177.db2.gz WOZISRQETPLSLM-UHFFFAOYSA-N 1 2 242.282 1.863 20 0 BDADLO CCN(CC(C)=O)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000908385840 638682523 /nfs/dbraw/zinc/68/25/23/638682523.db2.gz JHMBVCPXEDFJEG-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO CCN(CC(C)=O)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000908385840 638682532 /nfs/dbraw/zinc/68/25/32/638682532.db2.gz JHMBVCPXEDFJEG-VIFPVBQESA-N 1 2 237.303 1.026 20 0 BDADLO CC1(C)OCC[C@@H]1NC(=O)CNc1cccc[nH+]1 ZINC000908551044 639010667 /nfs/dbraw/zinc/01/06/67/639010667.db2.gz MHIASGDCPPPWHC-JTQLQIEISA-N 1 2 249.314 1.177 20 0 BDADLO CNc1cc(N2CC[C@@H](SC)C2)[nH+]cn1 ZINC000383201949 711465554 /nfs/dbraw/zinc/46/55/54/711465554.db2.gz NRHRMTBHLXACNM-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908761424 639063887 /nfs/dbraw/zinc/06/38/87/639063887.db2.gz SLNJXCKPPKZTKV-GVXVVHGQSA-N 1 2 245.326 1.360 20 0 BDADLO CNc1cc(N2CC[C@@H](SC)C2)nc[nH+]1 ZINC000383201949 711465550 /nfs/dbraw/zinc/46/55/50/711465550.db2.gz NRHRMTBHLXACNM-MRVPVSSYSA-N 1 2 224.333 1.460 20 0 BDADLO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)nc1C ZINC000909878362 639251870 /nfs/dbraw/zinc/25/18/70/639251870.db2.gz ISGUVNCSMANBFI-UHFFFAOYSA-N 1 2 244.298 1.280 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000909923698 639268536 /nfs/dbraw/zinc/26/85/36/639268536.db2.gz PADWBTAMNDGCFZ-MIMYLULJSA-N 1 2 219.288 1.257 20 0 BDADLO Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000910092356 639371475 /nfs/dbraw/zinc/37/14/75/639371475.db2.gz ZDQIBLIRLMIGQJ-ZETCQYMHSA-N 1 2 247.302 1.170 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc(C2CC2)[nH]n1 ZINC000910913127 639536579 /nfs/dbraw/zinc/53/65/79/639536579.db2.gz VTBDLVNGILFJBS-UHFFFAOYSA-N 1 2 231.259 1.191 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000911279096 639607758 /nfs/dbraw/zinc/60/77/58/639607758.db2.gz JLPOUPIDTIBQSW-JQWIXIFHSA-N 1 2 233.315 1.505 20 0 BDADLO Nc1ccc(C[N@@H+]2CCc3ncsc3C2)cn1 ZINC000930250511 639659536 /nfs/dbraw/zinc/65/95/36/639659536.db2.gz FBEWTTPJWYYDCR-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ccc(C[N@H+]2CCc3ncsc3C2)cn1 ZINC000930250511 639659539 /nfs/dbraw/zinc/65/95/39/639659539.db2.gz FBEWTTPJWYYDCR-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930252366 639660223 /nfs/dbraw/zinc/66/02/23/639660223.db2.gz UZYGSHNQQYTLSQ-XIVIADRMSA-N 1 2 241.331 1.603 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930252366 639660225 /nfs/dbraw/zinc/66/02/25/639660225.db2.gz UZYGSHNQQYTLSQ-XIVIADRMSA-N 1 2 241.331 1.603 20 0 BDADLO CN(CCC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911524076 639662318 /nfs/dbraw/zinc/66/23/18/639662318.db2.gz JVKKFCITOLGNMU-UHFFFAOYSA-N 1 2 223.320 1.847 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000930267260 639668837 /nfs/dbraw/zinc/66/88/37/639668837.db2.gz GOABPMWHHXPIJX-ZJUUUORDSA-N 1 2 241.360 1.664 20 0 BDADLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000930267260 639668840 /nfs/dbraw/zinc/66/88/40/639668840.db2.gz GOABPMWHHXPIJX-ZJUUUORDSA-N 1 2 241.360 1.664 20 0 BDADLO C/C(Cl)=C/C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911574824 639669407 /nfs/dbraw/zinc/66/94/07/639669407.db2.gz SBHROVBLYNNFOC-OTOXVQDCSA-N 1 2 239.706 1.457 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCC1CCC(F)CC1 ZINC000911597464 639671596 /nfs/dbraw/zinc/67/15/96/639671596.db2.gz FUCKQINMDXDDGX-UHFFFAOYSA-N 1 2 239.294 1.597 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2nncs2)CC1 ZINC000930277464 639678858 /nfs/dbraw/zinc/67/88/58/639678858.db2.gz CSHRJQANKQZPFE-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2nncs2)CC1 ZINC000930277464 639678864 /nfs/dbraw/zinc/67/88/64/639678864.db2.gz CSHRJQANKQZPFE-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO CSCCC[N@H+](C)Cc1nncs1 ZINC000930318223 639700830 /nfs/dbraw/zinc/70/08/30/639700830.db2.gz LPZYUNMMJIGCHS-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO CSCCC[N@@H+](C)Cc1nncs1 ZINC000930318223 639700834 /nfs/dbraw/zinc/70/08/34/639700834.db2.gz LPZYUNMMJIGCHS-UHFFFAOYSA-N 1 2 217.363 1.723 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000930354262 639721115 /nfs/dbraw/zinc/72/11/15/639721115.db2.gz ZELYHBVOQNLGCK-OKILXGFUSA-N 1 2 248.326 1.298 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000930354262 639721121 /nfs/dbraw/zinc/72/11/21/639721121.db2.gz ZELYHBVOQNLGCK-OKILXGFUSA-N 1 2 248.326 1.298 20 0 BDADLO c1nnc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)s1 ZINC000930363955 639732182 /nfs/dbraw/zinc/73/21/82/639732182.db2.gz CKDAZVZOYTZAGT-UWVGGRQHSA-N 1 2 239.344 1.682 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)s1 ZINC000930363955 639732186 /nfs/dbraw/zinc/73/21/86/639732186.db2.gz CKDAZVZOYTZAGT-UWVGGRQHSA-N 1 2 239.344 1.682 20 0 BDADLO Cc1nocc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000911672951 639733267 /nfs/dbraw/zinc/73/32/67/639733267.db2.gz DRIBPTCCFCITGM-UHFFFAOYSA-N 1 2 220.232 1.196 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[Si](C)(C)C ZINC000911724338 639748265 /nfs/dbraw/zinc/74/82/65/639748265.db2.gz RPYVXKMAIBBSTP-UHFFFAOYSA-N 1 2 239.395 1.596 20 0 BDADLO CC(C)[C@H]1C[N@H+](Cc2nncs2)CCCO1 ZINC000930588770 639814796 /nfs/dbraw/zinc/81/47/96/639814796.db2.gz IKPJZRXPFVQILL-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)[C@H]1C[N@@H+](Cc2nncs2)CCCO1 ZINC000930588770 639814797 /nfs/dbraw/zinc/81/47/97/639814797.db2.gz IKPJZRXPFVQILL-SNVBAGLBSA-N 1 2 241.360 1.785 20 0 BDADLO CCOC(=O)/C=C\C[N@@H+]1CCC[C@](C)(F)C1 ZINC000930596892 639816247 /nfs/dbraw/zinc/81/62/47/639816247.db2.gz YSWHPXJSEJVDOL-RNZFLTOJSA-N 1 2 229.295 1.930 20 0 BDADLO CCOC(=O)/C=C\C[N@H+]1CCC[C@](C)(F)C1 ZINC000930596892 639816248 /nfs/dbraw/zinc/81/62/48/639816248.db2.gz YSWHPXJSEJVDOL-RNZFLTOJSA-N 1 2 229.295 1.930 20 0 BDADLO CC[C@H](CO)[N@H+](C)Cc1c(F)cncc1F ZINC000930598706 639816341 /nfs/dbraw/zinc/81/63/41/639816341.db2.gz QFPSWOZKBVVJJT-MRVPVSSYSA-N 1 2 230.258 1.563 20 0 BDADLO CC[C@H](CO)[N@@H+](C)Cc1c(F)cncc1F ZINC000930598706 639816342 /nfs/dbraw/zinc/81/63/42/639816342.db2.gz QFPSWOZKBVVJJT-MRVPVSSYSA-N 1 2 230.258 1.563 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]CCOC1CC1)C(C)C ZINC000930639299 639837443 /nfs/dbraw/zinc/83/74/43/639837443.db2.gz LQBAXSPGZSMDKZ-LBPRGKRZSA-N 1 2 243.347 1.731 20 0 BDADLO OC1([C@@H]2CCCC[N@@H+]2Cc2nncs2)CC1 ZINC000930693832 639863648 /nfs/dbraw/zinc/86/36/48/639863648.db2.gz UJRLLNHXRWBFLX-VIFPVBQESA-N 1 2 239.344 1.418 20 0 BDADLO OC1([C@@H]2CCCC[N@H+]2Cc2nncs2)CC1 ZINC000930693832 639863650 /nfs/dbraw/zinc/86/36/50/639863650.db2.gz UJRLLNHXRWBFLX-VIFPVBQESA-N 1 2 239.344 1.418 20 0 BDADLO COC[C@H](C[N@H+](C)Cc1n[nH]c(=O)o1)C(C)C ZINC000930761023 639901356 /nfs/dbraw/zinc/90/13/56/639901356.db2.gz ZPTKULVVXYWXFS-VIFPVBQESA-N 1 2 243.307 1.126 20 0 BDADLO COC[C@H](C[N@@H+](C)Cc1n[nH]c(=O)o1)C(C)C ZINC000930761023 639901363 /nfs/dbraw/zinc/90/13/63/639901363.db2.gz ZPTKULVVXYWXFS-VIFPVBQESA-N 1 2 243.307 1.126 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCC(F)(F)F ZINC000930832753 639930424 /nfs/dbraw/zinc/93/04/24/639930424.db2.gz ZVGOFDXRLLGXAD-BIIVOSGPSA-N 1 2 238.253 1.536 20 0 BDADLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCC(F)(F)F ZINC000930832753 639930427 /nfs/dbraw/zinc/93/04/27/639930427.db2.gz ZVGOFDXRLLGXAD-BIIVOSGPSA-N 1 2 238.253 1.536 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000930855137 639950392 /nfs/dbraw/zinc/95/03/92/639950392.db2.gz AQXBUZKNJBEGPF-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000930855137 639950401 /nfs/dbraw/zinc/95/04/01/639950401.db2.gz AQXBUZKNJBEGPF-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930872045 639962336 /nfs/dbraw/zinc/96/23/36/639962336.db2.gz GXXZJPZQSCXBHN-BXKDBHETSA-N 1 2 229.320 1.221 20 0 BDADLO CCSCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930875070 639964647 /nfs/dbraw/zinc/96/46/47/639964647.db2.gz LAFYZFFZVUUPIX-LLVKDONJSA-N 1 2 231.361 1.813 20 0 BDADLO CCOCCC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930874413 639965077 /nfs/dbraw/zinc/96/50/77/639965077.db2.gz KRLKXERXPPNHFK-GFCCVEGCSA-N 1 2 229.320 1.487 20 0 BDADLO C[C@H]1CCCCN1NC(=O)CCc1[nH]cc[nH+]1 ZINC000912143689 639967910 /nfs/dbraw/zinc/96/79/10/639967910.db2.gz FXRGKAAZLAPLBS-JTQLQIEISA-N 1 2 236.319 1.248 20 0 BDADLO Cc1noc([C@H](C)[N@H+](C)CCOC2CC2)n1 ZINC000930889053 639973102 /nfs/dbraw/zinc/97/31/02/639973102.db2.gz GJBLLRXFZKIMJR-QMMMGPOBSA-N 1 2 225.292 1.550 20 0 BDADLO Cc1noc([C@H](C)[N@@H+](C)CCOC2CC2)n1 ZINC000930889053 639973107 /nfs/dbraw/zinc/97/31/07/639973107.db2.gz GJBLLRXFZKIMJR-QMMMGPOBSA-N 1 2 225.292 1.550 20 0 BDADLO COCC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000912287465 640017771 /nfs/dbraw/zinc/01/77/71/640017771.db2.gz RESWMVFUIFAYKQ-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO CSCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931133754 640073132 /nfs/dbraw/zinc/07/31/32/640073132.db2.gz GFIDRVHLXIQSDN-VIFPVBQESA-N 1 2 226.349 1.695 20 0 BDADLO CSCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931133754 640073138 /nfs/dbraw/zinc/07/31/38/640073138.db2.gz GFIDRVHLXIQSDN-VIFPVBQESA-N 1 2 226.349 1.695 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931134074 640073724 /nfs/dbraw/zinc/07/37/24/640073724.db2.gz IMZJERAMMNTELT-ZJUUUORDSA-N 1 2 208.309 1.988 20 0 BDADLO CC[C@@H](C)C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931134074 640073726 /nfs/dbraw/zinc/07/37/26/640073726.db2.gz IMZJERAMMNTELT-ZJUUUORDSA-N 1 2 208.309 1.988 20 0 BDADLO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2nnc[nH]2)C1 ZINC000931144576 640078447 /nfs/dbraw/zinc/07/84/47/640078447.db2.gz WZBKJFVGTPJVJJ-AXFHLTTASA-N 1 2 236.319 1.367 20 0 BDADLO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2nnc[nH]2)C1 ZINC000931144576 640078452 /nfs/dbraw/zinc/07/84/52/640078452.db2.gz WZBKJFVGTPJVJJ-AXFHLTTASA-N 1 2 236.319 1.367 20 0 BDADLO C[N@H+](CC1CC(C)(C)C1)C1CS(=O)(=O)C1 ZINC000931233242 640104706 /nfs/dbraw/zinc/10/47/06/640104706.db2.gz IFUQOVBHEXPYLM-UHFFFAOYSA-N 1 2 231.361 1.151 20 0 BDADLO C[N@@H+](CC1CC(C)(C)C1)C1CS(=O)(=O)C1 ZINC000931233242 640104708 /nfs/dbraw/zinc/10/47/08/640104708.db2.gz IFUQOVBHEXPYLM-UHFFFAOYSA-N 1 2 231.361 1.151 20 0 BDADLO CCC/C=C\[C@H](O)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912585304 640120156 /nfs/dbraw/zinc/12/01/56/640120156.db2.gz RMHUQKCGXNKCEL-SFLCEZBHSA-N 1 2 249.314 1.161 20 0 BDADLO C/C(Cl)=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584906 640122902 /nfs/dbraw/zinc/12/29/02/640122902.db2.gz UHHCWOHJFQWRTR-RXLGXGPVSA-N 1 2 225.679 1.587 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N1CCc2nc(F)ccc21 ZINC000912621627 640130251 /nfs/dbraw/zinc/13/02/51/640130251.db2.gz RJWGGOWCHNKXBH-UHFFFAOYSA-N 1 2 246.245 1.076 20 0 BDADLO COCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931413767 640186665 /nfs/dbraw/zinc/18/66/65/640186665.db2.gz FRPZFRRXKNRXIR-VIFPVBQESA-N 1 2 247.298 1.718 20 0 BDADLO C[C@@H]1C[NH+](CCN2CC[C@H]2C(F)F)C[C@@H](C)O1 ZINC000931425636 640195920 /nfs/dbraw/zinc/19/59/20/640195920.db2.gz GDGPMJMVCXCAOR-MXWKQRLJSA-N 1 2 248.317 1.435 20 0 BDADLO Cn1ccc(C[NH+]2CCC(c3ncco3)CC2)n1 ZINC000931443583 640211334 /nfs/dbraw/zinc/21/13/34/640211334.db2.gz ZNKZIMLEYHBHGN-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO Cc1oncc1C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931460087 640218311 /nfs/dbraw/zinc/21/83/11/640218311.db2.gz DKIYLCQSVUYGIF-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO Cc1oncc1C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931460087 640218318 /nfs/dbraw/zinc/21/83/18/640218318.db2.gz DKIYLCQSVUYGIF-QMMMGPOBSA-N 1 2 232.287 1.825 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2N)Cc2c[nH]nc21 ZINC000931461379 640220257 /nfs/dbraw/zinc/22/02/57/640220257.db2.gz DDPQQEZBOXUWDD-SECBINFHSA-N 1 2 243.314 1.506 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2N)Cc2c[nH]nc21 ZINC000931461379 640220265 /nfs/dbraw/zinc/22/02/65/640220265.db2.gz DDPQQEZBOXUWDD-SECBINFHSA-N 1 2 243.314 1.506 20 0 BDADLO CC[N@H+](Cn1c2ccccc2n(C)c1=O)C1CC1 ZINC000912855073 640226539 /nfs/dbraw/zinc/22/65/39/640226539.db2.gz LAINPYQGYNRKRV-UHFFFAOYSA-N 1 2 245.326 1.782 20 0 BDADLO CC[N@@H+](Cn1c2ccccc2n(C)c1=O)C1CC1 ZINC000912855073 640226544 /nfs/dbraw/zinc/22/65/44/640226544.db2.gz LAINPYQGYNRKRV-UHFFFAOYSA-N 1 2 245.326 1.782 20 0 BDADLO c1nnc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)s1 ZINC000931547211 640267535 /nfs/dbraw/zinc/26/75/35/640267535.db2.gz DZZABQNTXZZWLP-IUCAKERBSA-N 1 2 241.385 1.723 20 0 BDADLO c1nnc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)s1 ZINC000931547211 640267539 /nfs/dbraw/zinc/26/75/39/640267539.db2.gz DZZABQNTXZZWLP-IUCAKERBSA-N 1 2 241.385 1.723 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C(F)(F)F ZINC000913022964 640286013 /nfs/dbraw/zinc/28/60/13/640286013.db2.gz XQYXAFYDKPRRGQ-QMMMGPOBSA-N 1 2 247.220 1.506 20 0 BDADLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccns1 ZINC000913057015 640296679 /nfs/dbraw/zinc/29/66/79/640296679.db2.gz GWOTXOLGYOZSBC-SSDOTTSWSA-N 1 2 211.290 1.176 20 0 BDADLO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccns1 ZINC000913057015 640296685 /nfs/dbraw/zinc/29/66/85/640296685.db2.gz GWOTXOLGYOZSBC-SSDOTTSWSA-N 1 2 211.290 1.176 20 0 BDADLO CC1(C)CNC(=O)[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000931658367 640306769 /nfs/dbraw/zinc/30/67/69/640306769.db2.gz KOHJFYTWLNGKKF-NFNQMPKISA-N 1 2 237.130 1.420 20 0 BDADLO CN(C)c1cncc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000913435003 640371523 /nfs/dbraw/zinc/37/15/23/640371523.db2.gz JPEBVNJJZHECPJ-UHFFFAOYSA-N 1 2 245.286 1.052 20 0 BDADLO CCONC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045013421 640487334 /nfs/dbraw/zinc/48/73/34/640487334.db2.gz KGSUTHLFLILNRA-UHFFFAOYSA-N 1 2 245.282 1.613 20 0 BDADLO CCN(C#N)CC[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932353743 640496409 /nfs/dbraw/zinc/49/64/09/640496409.db2.gz ODFOXCLXGUJHTQ-LBPRGKRZSA-N 1 2 245.330 1.320 20 0 BDADLO COc1cccc([C@H](C)[NH+]2CC(NC(C)=O)C2)c1 ZINC001030039312 640528027 /nfs/dbraw/zinc/52/80/27/640528027.db2.gz FKCMNEMDUYIUHF-JTQLQIEISA-N 1 2 248.326 1.577 20 0 BDADLO CC(=O)NC1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001030039564 640531303 /nfs/dbraw/zinc/53/13/03/640531303.db2.gz HWMITLPEMCESAP-CQSZACIVSA-N 1 2 248.301 1.633 20 0 BDADLO CO[C@H](C[NH+]1CC(NC(C)=O)C1)c1ccccc1 ZINC001030039012 640531627 /nfs/dbraw/zinc/53/16/27/640531627.db2.gz VYYYXNIQOYQEKK-CQSZACIVSA-N 1 2 248.326 1.194 20 0 BDADLO O=C(CC1CC1)NC1C[NH+](Cc2ccccc2)C1 ZINC001030045296 640540559 /nfs/dbraw/zinc/54/05/59/640540559.db2.gz SGOWJAFOXGEMMT-UHFFFAOYSA-N 1 2 244.338 1.787 20 0 BDADLO CCCCc1nc(C[NH2+][C@@H]2COC[C@H]2C)no1 ZINC000932501127 640561287 /nfs/dbraw/zinc/56/12/87/640561287.db2.gz NWDYVIUVMLJLTJ-NXEZZACHSA-N 1 2 239.319 1.537 20 0 BDADLO Cn1ccc(C[N@@H+]2CCn3cccc3C2)n1 ZINC000932527355 640568847 /nfs/dbraw/zinc/56/88/47/640568847.db2.gz UITGHMRFNIISQF-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO Cn1ccc(C[N@H+]2CCn3cccc3C2)n1 ZINC000932527355 640568853 /nfs/dbraw/zinc/56/88/53/640568853.db2.gz UITGHMRFNIISQF-UHFFFAOYSA-N 1 2 216.288 1.237 20 0 BDADLO O=c1ccccn1CC[N@@H+]1CCn2cccc2C1 ZINC000932528722 640569627 /nfs/dbraw/zinc/56/96/27/640569627.db2.gz NUBMRYQCJYQYSQ-UHFFFAOYSA-N 1 2 243.310 1.166 20 0 BDADLO O=c1ccccn1CC[N@H+]1CCn2cccc2C1 ZINC000932528722 640569632 /nfs/dbraw/zinc/56/96/32/640569632.db2.gz NUBMRYQCJYQYSQ-UHFFFAOYSA-N 1 2 243.310 1.166 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001030070762 640574789 /nfs/dbraw/zinc/57/47/89/640574789.db2.gz ARLVEMRQWMTBSP-CMPLNLGQSA-N 1 2 222.332 1.409 20 0 BDADLO Cc1cc(NC(=O)COC(F)(F)F)cc[nH+]1 ZINC000932605348 640583130 /nfs/dbraw/zinc/58/31/30/640583130.db2.gz ALWVOIUMDAKZFR-UHFFFAOYSA-N 1 2 234.177 1.287 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc[nH+]1 ZINC000932607755 640585811 /nfs/dbraw/zinc/58/58/11/640585811.db2.gz WFCUSRBCKKKLES-FHUSYTEZSA-N 1 2 244.294 1.174 20 0 BDADLO FC1(C2CC2)CC[NH+](Cc2cnon2)CC1 ZINC000932624333 640588136 /nfs/dbraw/zinc/58/81/36/640588136.db2.gz KJCHEIWNCUAKCA-UHFFFAOYSA-N 1 2 225.267 1.784 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CC=CCC1 ZINC001030096331 640590255 /nfs/dbraw/zinc/59/02/55/640590255.db2.gz SBTGCFCAHSKAMX-NSHDSACASA-N 1 2 240.322 1.503 20 0 BDADLO CC(C)C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030114528 640603529 /nfs/dbraw/zinc/60/35/29/640603529.db2.gz KBCVCMHOIYVDIC-LBPRGKRZSA-N 1 2 240.347 1.012 20 0 BDADLO CC1(CCC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000932827054 640614702 /nfs/dbraw/zinc/61/47/02/640614702.db2.gz RUISXDWPZFBVRB-UHFFFAOYSA-N 1 2 233.315 1.847 20 0 BDADLO NC(=O)C12CCC(CC1)[N@@H+]2Cc1ccns1 ZINC000932934713 640648794 /nfs/dbraw/zinc/64/87/94/640648794.db2.gz PGFPOEIMOCDPAZ-UHFFFAOYSA-N 1 2 237.328 1.125 20 0 BDADLO NC(=O)C12CCC(CC1)[N@H+]2Cc1ccns1 ZINC000932934713 640648797 /nfs/dbraw/zinc/64/87/97/640648797.db2.gz PGFPOEIMOCDPAZ-UHFFFAOYSA-N 1 2 237.328 1.125 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2c(F)cncc2F)C1 ZINC000932968561 640653491 /nfs/dbraw/zinc/65/34/91/640653491.db2.gz JSLIWQGPGKYHGI-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000932968561 640653496 /nfs/dbraw/zinc/65/34/96/640653496.db2.gz JSLIWQGPGKYHGI-VIFPVBQESA-N 1 2 242.269 1.971 20 0 BDADLO C[C@H]1CN(C(=O)c2ccc(Cl)o2)CC[N@@H+]1C ZINC000224994045 640654362 /nfs/dbraw/zinc/65/43/62/640654362.db2.gz JXSQXABMBRIPLW-QMMMGPOBSA-N 1 2 242.706 1.709 20 0 BDADLO C[C@H]1CN(C(=O)c2ccc(Cl)o2)CC[N@H+]1C ZINC000224994045 640654364 /nfs/dbraw/zinc/65/43/64/640654364.db2.gz JXSQXABMBRIPLW-QMMMGPOBSA-N 1 2 242.706 1.709 20 0 BDADLO CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC000932971348 640656713 /nfs/dbraw/zinc/65/67/13/640656713.db2.gz LYCDBBGVKSYIIO-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC000932971348 640656716 /nfs/dbraw/zinc/65/67/16/640656716.db2.gz LYCDBBGVKSYIIO-UWVGGRQHSA-N 1 2 238.335 1.539 20 0 BDADLO O=C(NC1C[NH+](CCCF)C1)C1CC=CC1 ZINC001030172338 640657025 /nfs/dbraw/zinc/65/70/25/640657025.db2.gz ZBGJBJPSPUDOLD-UHFFFAOYSA-N 1 2 226.295 1.113 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933201484 640677490 /nfs/dbraw/zinc/67/74/90/640677490.db2.gz BWTDVOJKLMUJIE-CYBMUJFWSA-N 1 2 237.347 1.290 20 0 BDADLO CCN(C#N)CC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933201484 640677494 /nfs/dbraw/zinc/67/74/94/640677494.db2.gz BWTDVOJKLMUJIE-CYBMUJFWSA-N 1 2 237.347 1.290 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1cc(C)on1)C2 ZINC000933253777 640690329 /nfs/dbraw/zinc/69/03/29/640690329.db2.gz SGTSZKUIIIIHLS-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001030278876 640725305 /nfs/dbraw/zinc/72/53/05/640725305.db2.gz AFDUMYXOIZBTIF-SNVBAGLBSA-N 1 2 244.285 1.408 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001030278875 640725857 /nfs/dbraw/zinc/72/58/57/640725857.db2.gz AFDUMYXOIZBTIF-JTQLQIEISA-N 1 2 244.285 1.408 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccsc2C)C1 ZINC001030289693 640733166 /nfs/dbraw/zinc/73/31/66/640733166.db2.gz YTOCTCVSUGDXOP-UHFFFAOYSA-N 1 2 224.329 1.490 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cccc(F)c2C)C1 ZINC001030347082 640780556 /nfs/dbraw/zinc/78/05/56/640780556.db2.gz JNGIZQKIHUHHMT-UHFFFAOYSA-N 1 2 236.290 1.568 20 0 BDADLO c1c[nH]c(C[NH2+][C@H]2CCc3cccnc32)n1 ZINC000226821964 640796064 /nfs/dbraw/zinc/79/60/64/640796064.db2.gz TWMGXSGVBMZFAQ-JTQLQIEISA-N 1 2 214.272 1.582 20 0 BDADLO c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000059457486 640814429 /nfs/dbraw/zinc/81/44/29/640814429.db2.gz HZZIIKJKRISUQU-UHFFFAOYSA-N 1 2 224.329 1.506 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)C(=O)OC(C)(C)C ZINC000227692878 640845134 /nfs/dbraw/zinc/84/51/34/640845134.db2.gz YPPPLXYTLOFWCD-GARJFASQSA-N 1 2 243.347 1.467 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000087415893 640887879 /nfs/dbraw/zinc/88/78/79/640887879.db2.gz PLEIPMNYMALKOO-PZIAFJOJSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000087415893 640887880 /nfs/dbraw/zinc/88/78/80/640887880.db2.gz PLEIPMNYMALKOO-PZIAFJOJSA-N 1 2 227.304 1.215 20 0 BDADLO CCOC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000230062321 641010285 /nfs/dbraw/zinc/01/02/85/641010285.db2.gz FLJZLHHTKPDPPS-GARJFASQSA-N 1 2 231.336 1.589 20 0 BDADLO CNc1cc(N(C)Cc2ccco2)nc[nH+]1 ZINC000087811733 641050107 /nfs/dbraw/zinc/05/01/07/641050107.db2.gz XUDAQSQCBDDPND-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO CNc1cc(N(C)Cc2ccco2)[nH+]cn1 ZINC000087811733 641050112 /nfs/dbraw/zinc/05/01/12/641050112.db2.gz XUDAQSQCBDDPND-UHFFFAOYSA-N 1 2 218.260 1.748 20 0 BDADLO CNc1cc(N[C@H](C)CCOC)[nH+]cn1 ZINC000087831577 641064148 /nfs/dbraw/zinc/06/41/48/641064148.db2.gz VVEYJGZBFVNURY-MRVPVSSYSA-N 1 2 210.281 1.355 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000934108493 641072164 /nfs/dbraw/zinc/07/21/64/641072164.db2.gz QJWFEOWTDYFMTJ-FXBDTBDDSA-N 1 2 224.308 1.283 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000934108493 641072165 /nfs/dbraw/zinc/07/21/65/641072165.db2.gz QJWFEOWTDYFMTJ-FXBDTBDDSA-N 1 2 224.308 1.283 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ncc(C)cn1 ZINC000934116469 641083933 /nfs/dbraw/zinc/08/39/33/641083933.db2.gz WDRVWVSMSAQEOY-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ncc(C)cn1 ZINC000934116469 641083936 /nfs/dbraw/zinc/08/39/36/641083936.db2.gz WDRVWVSMSAQEOY-WDEREUQCSA-N 1 2 221.304 1.394 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCOC12CCCC2)C(=O)OC ZINC000934390910 641138621 /nfs/dbraw/zinc/13/86/21/641138621.db2.gz LFKKAEXINQBEBG-GHMZBOCLSA-N 1 2 241.331 1.629 20 0 BDADLO CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000932972523 641165723 /nfs/dbraw/zinc/16/57/23/641165723.db2.gz SNKYDTMJTARDEY-WPRPVWTQSA-N 1 2 224.308 1.285 20 0 BDADLO CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000932972523 641165727 /nfs/dbraw/zinc/16/57/27/641165727.db2.gz SNKYDTMJTARDEY-WPRPVWTQSA-N 1 2 224.308 1.285 20 0 BDADLO C[N@H+](CCn1cccn1)Cn1cc[nH]c1=S ZINC000173343635 641172598 /nfs/dbraw/zinc/17/25/98/641172598.db2.gz FCSOPDFROYNHDS-UHFFFAOYSA-N 1 2 237.332 1.332 20 0 BDADLO C[N@@H+](CCn1cccn1)Cn1cc[nH]c1=S ZINC000173343635 641172603 /nfs/dbraw/zinc/17/26/03/641172603.db2.gz FCSOPDFROYNHDS-UHFFFAOYSA-N 1 2 237.332 1.332 20 0 BDADLO COC/C(C)=C\C[NH2+][C@H](C(=O)OC)C(C)C ZINC000934499279 641172777 /nfs/dbraw/zinc/17/27/77/641172777.db2.gz PKJGWULJJAPSGY-YAEJEKNGSA-N 1 2 229.320 1.366 20 0 BDADLO CNc1cc(N[C@H]2CCSC2)nc[nH+]1 ZINC000231447989 641174852 /nfs/dbraw/zinc/17/48/52/641174852.db2.gz YNGNNPJUZANWAB-ZETCQYMHSA-N 1 2 210.306 1.436 20 0 BDADLO CNc1cc(N[C@H]2CCSC2)[nH+]cn1 ZINC000231447989 641174857 /nfs/dbraw/zinc/17/48/57/641174857.db2.gz YNGNNPJUZANWAB-ZETCQYMHSA-N 1 2 210.306 1.436 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)ccn1 ZINC000934565000 641196717 /nfs/dbraw/zinc/19/67/17/641196717.db2.gz IPFGDRJIYMSGOX-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)ccn1 ZINC000934565000 641196722 /nfs/dbraw/zinc/19/67/22/641196722.db2.gz IPFGDRJIYMSGOX-VXGBXAGGSA-N 1 2 224.279 1.295 20 0 BDADLO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934571285 641201385 /nfs/dbraw/zinc/20/13/85/641201385.db2.gz QYKRGYKYJQYKHA-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO COc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934571285 641201389 /nfs/dbraw/zinc/20/13/89/641201389.db2.gz QYKRGYKYJQYKHA-QWHCGFSZSA-N 1 2 239.290 1.600 20 0 BDADLO O[C@H]1CC[N@H+](Cc2cccc(F)c2)C[C@H]1F ZINC000934585033 641209301 /nfs/dbraw/zinc/20/93/01/641209301.db2.gz SLFCNWWRGZTCSK-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1F ZINC000934585033 641209307 /nfs/dbraw/zinc/20/93/07/641209307.db2.gz SLFCNWWRGZTCSK-NEPJUHHUSA-N 1 2 227.254 1.730 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC000088001079 641226356 /nfs/dbraw/zinc/22/63/56/641226356.db2.gz BGFMHOJFXOVWGG-SECBINFHSA-N 1 2 219.244 1.383 20 0 BDADLO CC(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)C1CC1 ZINC000934818878 641279939 /nfs/dbraw/zinc/27/99/39/641279939.db2.gz NSWWCNZZYIXIJZ-SNVBAGLBSA-N 1 2 229.320 1.077 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@H](C)C2)s1 ZINC000929461461 641323384 /nfs/dbraw/zinc/32/33/84/641323384.db2.gz IYWHSNFZGJUSRR-ZETCQYMHSA-N 1 2 213.306 1.389 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@H](C)C2)s1 ZINC000929461461 641323388 /nfs/dbraw/zinc/32/33/88/641323388.db2.gz IYWHSNFZGJUSRR-ZETCQYMHSA-N 1 2 213.306 1.389 20 0 BDADLO CC[NH+]1CC(NC(=O)C2(C3CCC3)CCC2)C1 ZINC001030752263 641335544 /nfs/dbraw/zinc/33/55/44/641335544.db2.gz KACTVRWBCAXDRN-UHFFFAOYSA-N 1 2 236.359 1.777 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]1CO ZINC000935102335 641338417 /nfs/dbraw/zinc/33/84/17/641338417.db2.gz FGRDKPHXWOOARS-SNVBAGLBSA-N 1 2 245.282 1.160 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030811318 641364052 /nfs/dbraw/zinc/36/40/52/641364052.db2.gz XMIDMEPHCZCRJE-LLVKDONJSA-N 1 2 242.338 1.583 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001030922437 641424211 /nfs/dbraw/zinc/42/42/11/641424211.db2.gz KNQNBWWUCCKLIQ-JTQLQIEISA-N 1 2 224.348 1.633 20 0 BDADLO C[C@H]1C[C@H](O)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935590572 641433193 /nfs/dbraw/zinc/43/31/93/641433193.db2.gz DDFZUKAMDSQXRU-WPRPVWTQSA-N 1 2 245.282 1.158 20 0 BDADLO CC1(CC(=O)Nc2ccn3cc[nH+]c3c2)COC1 ZINC000935759311 641476254 /nfs/dbraw/zinc/47/62/54/641476254.db2.gz YPIPAJXKBIQFRC-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001030946432 641500475 /nfs/dbraw/zinc/50/04/75/641500475.db2.gz UIFUXKIXYGYDAV-VIFPVBQESA-N 1 2 238.356 1.672 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000158855900 641655170 /nfs/dbraw/zinc/65/51/70/641655170.db2.gz HZAQDONFHABSDY-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000158855900 641655173 /nfs/dbraw/zinc/65/51/73/641655173.db2.gz HZAQDONFHABSDY-QMMMGPOBSA-N 1 2 227.308 1.180 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](CF)C1 ZINC000914426236 641667259 /nfs/dbraw/zinc/66/72/59/641667259.db2.gz BMPJFXHOJYZPNF-VIFPVBQESA-N 1 2 225.267 1.160 20 0 BDADLO C[N@H+](Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000047915255 641668577 /nfs/dbraw/zinc/66/85/77/641668577.db2.gz VZZDUTITMAZNOF-UHFFFAOYSA-N 1 2 209.293 1.961 20 0 BDADLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000047915255 641668578 /nfs/dbraw/zinc/66/85/78/641668578.db2.gz VZZDUTITMAZNOF-UHFFFAOYSA-N 1 2 209.293 1.961 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001031061528 641676696 /nfs/dbraw/zinc/67/66/96/641676696.db2.gz AALKIDYEWXJHMR-KGLIPLIRSA-N 1 2 244.338 1.610 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CCC[N@@H+]1CCF ZINC000992975082 641690866 /nfs/dbraw/zinc/69/08/66/641690866.db2.gz YDNIVPAQQCTSBH-ZJUUUORDSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(C)(C)F)CCC[N@H+]1CCF ZINC000992975082 641690872 /nfs/dbraw/zinc/69/08/72/641690872.db2.gz YDNIVPAQQCTSBH-ZJUUUORDSA-N 1 2 248.317 1.673 20 0 BDADLO C[C@H]1Cc2ccccc2N1C(=O)Cc1c[nH]c[nH+]1 ZINC000074673710 641718849 /nfs/dbraw/zinc/71/88/49/641718849.db2.gz BGXTZKBAYNCULN-JTQLQIEISA-N 1 2 241.294 1.930 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@@H](c2nc(-c3ccco3)no2)O1 ZINC000924003036 641733781 /nfs/dbraw/zinc/73/37/81/641733781.db2.gz IJLBOVVSUZKKNF-WPRPVWTQSA-N 1 2 249.270 1.721 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@@H](c2nc(-c3ccco3)no2)O1 ZINC000924003036 641733784 /nfs/dbraw/zinc/73/37/84/641733784.db2.gz IJLBOVVSUZKKNF-WPRPVWTQSA-N 1 2 249.270 1.721 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001031308501 641884731 /nfs/dbraw/zinc/88/47/31/641884731.db2.gz DYHOMJNWXNRXAN-UHFFFAOYSA-N 1 2 232.327 1.737 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC=CO1 ZINC000191077959 641900105 /nfs/dbraw/zinc/90/01/05/641900105.db2.gz PGCXIOQHELHKKZ-MNOVXSKESA-N 1 2 247.360 1.044 20 0 BDADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000191077959 641900107 /nfs/dbraw/zinc/90/01/07/641900107.db2.gz PGCXIOQHELHKKZ-MNOVXSKESA-N 1 2 247.360 1.044 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC1CCCC1 ZINC000192006396 641956645 /nfs/dbraw/zinc/95/66/45/641956645.db2.gz MODJCNSLRPMFOU-VHSXEESVSA-N 1 2 243.372 1.956 20 0 BDADLO CC[C@@H](C)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000192103033 641961451 /nfs/dbraw/zinc/96/14/51/641961451.db2.gz LWVJGYRQNPLWOD-VXGBXAGGSA-N 1 2 243.347 1.687 20 0 BDADLO CCNC(=O)C[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000917068606 642001095 /nfs/dbraw/zinc/00/10/95/642001095.db2.gz IPWLPZOMVIZTCG-ZETCQYMHSA-N 1 2 239.146 1.248 20 0 BDADLO CCNC(=O)C[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000917068606 642001099 /nfs/dbraw/zinc/00/10/99/642001099.db2.gz IPWLPZOMVIZTCG-ZETCQYMHSA-N 1 2 239.146 1.248 20 0 BDADLO C[C@H]1C[N@H+](C)C[C@H](c2nc(-c3ccoc3)no2)O1 ZINC000924008009 642006125 /nfs/dbraw/zinc/00/61/25/642006125.db2.gz MADFQDVJPKNISO-WCBMZHEXSA-N 1 2 249.270 1.721 20 0 BDADLO C[C@H]1C[N@@H+](C)C[C@H](c2nc(-c3ccoc3)no2)O1 ZINC000924008009 642006127 /nfs/dbraw/zinc/00/61/27/642006127.db2.gz MADFQDVJPKNISO-WCBMZHEXSA-N 1 2 249.270 1.721 20 0 BDADLO CC[NH+]1CC(NC(=O)C23CCC(CC2)CC3)C1 ZINC001031422424 642118462 /nfs/dbraw/zinc/11/84/62/642118462.db2.gz UUDVYEHSPVNFFZ-UHFFFAOYSA-N 1 2 236.359 1.777 20 0 BDADLO Cc1cn[nH]c1CSC[C@H]1C[N@H+](C)CCO1 ZINC000917909089 642139871 /nfs/dbraw/zinc/13/98/71/642139871.db2.gz GHMMQMGJBYORQZ-SNVBAGLBSA-N 1 2 241.360 1.282 20 0 BDADLO Cc1cn[nH]c1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000917909089 642139877 /nfs/dbraw/zinc/13/98/77/642139877.db2.gz GHMMQMGJBYORQZ-SNVBAGLBSA-N 1 2 241.360 1.282 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001031435617 642140476 /nfs/dbraw/zinc/14/04/76/642140476.db2.gz BFTZTMVBCIFXLZ-LBPRGKRZSA-N 1 2 249.358 1.486 20 0 BDADLO CC(=O)NCC1C[NH+](CC=C(Cl)Cl)C1 ZINC001031505598 642239770 /nfs/dbraw/zinc/23/97/70/642239770.db2.gz WNCBTSHVIGJWEY-UHFFFAOYSA-N 1 2 237.130 1.373 20 0 BDADLO CC[N@H+](Cc1ccccn1)C(C)(C)C(=O)OC ZINC000933187193 642378522 /nfs/dbraw/zinc/37/85/22/642378522.db2.gz JEVLFLXBEVIOOI-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CC[N@@H+](Cc1ccccn1)C(C)(C)C(=O)OC ZINC000933187193 642378528 /nfs/dbraw/zinc/37/85/28/642378528.db2.gz JEVLFLXBEVIOOI-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCn1cc[nH+]c1Cn1nc(C)nc1Cl ZINC000919731862 642384014 /nfs/dbraw/zinc/38/40/14/642384014.db2.gz BKWGTEFCTFERNL-UHFFFAOYSA-N 1 2 225.683 1.505 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2CC2CC2)ncn1 ZINC000933213101 642392109 /nfs/dbraw/zinc/39/21/09/642392109.db2.gz LJXJBEJPYBVPCD-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@@H]2CC2CC2)ncn1 ZINC000933213101 642392113 /nfs/dbraw/zinc/39/21/13/642392113.db2.gz LJXJBEJPYBVPCD-AWEZNQCLSA-N 1 2 247.342 1.786 20 0 BDADLO CC[N@H+](C[C@H]1CCCO1)CN1CCSC1=O ZINC000919947421 642413131 /nfs/dbraw/zinc/41/31/31/642413131.db2.gz NRDCVAGDNPZMPZ-SNVBAGLBSA-N 1 2 244.360 1.614 20 0 BDADLO CC[N@@H+](C[C@H]1CCCO1)CN1CCSC1=O ZINC000919947421 642413134 /nfs/dbraw/zinc/41/31/34/642413134.db2.gz NRDCVAGDNPZMPZ-SNVBAGLBSA-N 1 2 244.360 1.614 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1nocc1C)C2 ZINC000933252839 642421301 /nfs/dbraw/zinc/42/13/01/642421301.db2.gz HOEPJJNUKAMNHS-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1nc(C)no1)C2 ZINC000933253937 642422447 /nfs/dbraw/zinc/42/24/47/642422447.db2.gz LDOQVONJXWPDPR-UHFFFAOYSA-N 1 2 247.302 1.153 20 0 BDADLO CC[N@H+](CCOC)Cc1nnc(C(C)(C)C)o1 ZINC000920206287 642448253 /nfs/dbraw/zinc/44/82/53/642448253.db2.gz IVPVIMMSFWSJBB-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO CC[N@@H+](CCOC)Cc1nnc(C(C)(C)C)o1 ZINC000920206287 642448259 /nfs/dbraw/zinc/44/82/59/642448259.db2.gz IVPVIMMSFWSJBB-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO CN1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000891389236 642454567 /nfs/dbraw/zinc/45/45/67/642454567.db2.gz DJBAFSWABBDCEX-UHFFFAOYSA-N 1 2 245.370 1.708 20 0 BDADLO CCOC(=O)/C=C\C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000930127330 642481292 /nfs/dbraw/zinc/48/12/92/642481292.db2.gz QJTULLBBEUETNO-ARJAWSKDSA-N 1 2 245.269 1.837 20 0 BDADLO CCOC(=O)/C=C/C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000930127332 642481715 /nfs/dbraw/zinc/48/17/15/642481715.db2.gz QJTULLBBEUETNO-ONEGZZNKSA-N 1 2 245.269 1.837 20 0 BDADLO CCC/C=C\C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000920474138 642512340 /nfs/dbraw/zinc/51/23/40/642512340.db2.gz WNGXTLLNFGYKRI-ISALQUGTSA-N 1 2 221.304 1.744 20 0 BDADLO C[N@H+](CCc1ccccc1F)[C@@H]1CCOC1=O ZINC000068866796 642803981 /nfs/dbraw/zinc/80/39/81/642803981.db2.gz ZTXPMMCHHVSGCQ-GFCCVEGCSA-N 1 2 237.274 1.616 20 0 BDADLO C[N@@H+](CCc1ccccc1F)[C@@H]1CCOC1=O ZINC000068866796 642803984 /nfs/dbraw/zinc/80/39/84/642803984.db2.gz ZTXPMMCHHVSGCQ-GFCCVEGCSA-N 1 2 237.274 1.616 20 0 BDADLO c1n[nH]c2c1[C@@H]([NH2+]CCOCC1CC1)CCC2 ZINC000353404346 642827603 /nfs/dbraw/zinc/82/76/03/642827603.db2.gz ONBYLOCOWKJFGT-LBPRGKRZSA-N 1 2 235.331 1.803 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001009800323 642839170 /nfs/dbraw/zinc/83/91/70/642839170.db2.gz MQGSPTBCJHJSRX-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001009800323 642839171 /nfs/dbraw/zinc/83/91/71/642839171.db2.gz MQGSPTBCJHJSRX-SNVBAGLBSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)co1 ZINC001010769181 642872793 /nfs/dbraw/zinc/87/27/93/642872793.db2.gz WVWCVUSQRGYUHU-NSHDSACASA-N 1 2 240.278 1.362 20 0 BDADLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)co1 ZINC001010769181 642872798 /nfs/dbraw/zinc/87/27/98/642872798.db2.gz WVWCVUSQRGYUHU-NSHDSACASA-N 1 2 240.278 1.362 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)C1(F)CCCC1 ZINC001015024761 642896705 /nfs/dbraw/zinc/89/67/05/642896705.db2.gz DBXZDIJKZZXGPV-SNVBAGLBSA-N 1 2 246.301 1.429 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)C1(F)CCCC1 ZINC001015024761 642896708 /nfs/dbraw/zinc/89/67/08/642896708.db2.gz DBXZDIJKZZXGPV-SNVBAGLBSA-N 1 2 246.301 1.429 20 0 BDADLO CC(=O)[C@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000069795333 642905558 /nfs/dbraw/zinc/90/55/58/642905558.db2.gz VHCOYLRHXYJDRC-JTQLQIEISA-N 1 2 223.276 1.179 20 0 BDADLO CC(=O)[C@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000069795333 642905569 /nfs/dbraw/zinc/90/55/69/642905569.db2.gz VHCOYLRHXYJDRC-JTQLQIEISA-N 1 2 223.276 1.179 20 0 BDADLO COc1cccc(C[NH2+]Cc2nonc2C)c1 ZINC000070261684 643007205 /nfs/dbraw/zinc/00/72/05/643007205.db2.gz BWJZCSNLKYKCAO-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C=C(C)C[N@H+](C)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000182621551 643042229 /nfs/dbraw/zinc/04/22/29/643042229.db2.gz BVHPQZLQHHCHEG-TXEJJXNPSA-N 1 2 248.326 1.403 20 0 BDADLO C=C(C)C[N@@H+](C)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000182621551 643042236 /nfs/dbraw/zinc/04/22/36/643042236.db2.gz BVHPQZLQHHCHEG-TXEJJXNPSA-N 1 2 248.326 1.403 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)[C@@H]1CC[C@@H](F)C1 ZINC001031929360 643071088 /nfs/dbraw/zinc/07/10/88/643071088.db2.gz HBDCQQCEPJJQOE-GHMZBOCLSA-N 1 2 246.301 1.142 20 0 BDADLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](C)CC2)n1 ZINC000932342619 643151309 /nfs/dbraw/zinc/15/13/09/643151309.db2.gz NSVWCNHAEHQJBC-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](C)CC2)n1 ZINC000932342619 643151314 /nfs/dbraw/zinc/15/13/14/643151314.db2.gz NSVWCNHAEHQJBC-JTQLQIEISA-N 1 2 238.335 1.217 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031988871 643156731 /nfs/dbraw/zinc/15/67/31/643156731.db2.gz QFZKWYNHADDBNE-GHMZBOCLSA-N 1 2 228.311 1.050 20 0 BDADLO Cl/C=C\C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000254964862 643186453 /nfs/dbraw/zinc/18/64/53/643186453.db2.gz VAFBUMUUZDVGGX-RJRFIUFISA-N 1 2 231.723 1.620 20 0 BDADLO Cl/C=C\C[N@H+]1CCOC2(CCOCC2)C1 ZINC000254964862 643186461 /nfs/dbraw/zinc/18/64/61/643186461.db2.gz VAFBUMUUZDVGGX-RJRFIUFISA-N 1 2 231.723 1.620 20 0 BDADLO CS[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000081466918 643222322 /nfs/dbraw/zinc/22/23/22/643222322.db2.gz NCJLXAFKPMMIQZ-ZJUUUORDSA-N 1 2 239.344 1.283 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000131109581 643246884 /nfs/dbraw/zinc/24/68/84/643246884.db2.gz NFGTUVRMUGKRTF-FNSAGKMKSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000131109581 643246889 /nfs/dbraw/zinc/24/68/89/643246889.db2.gz NFGTUVRMUGKRTF-FNSAGKMKSA-N 1 2 241.331 1.605 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000082644656 643359560 /nfs/dbraw/zinc/35/95/60/643359560.db2.gz HFXIHOOXQZBPAD-SNVBAGLBSA-N 1 2 224.329 1.944 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000082644656 643359561 /nfs/dbraw/zinc/35/95/61/643359561.db2.gz HFXIHOOXQZBPAD-SNVBAGLBSA-N 1 2 224.329 1.944 20 0 BDADLO CC[C@@H](CO)[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600481 643375349 /nfs/dbraw/zinc/37/53/49/643375349.db2.gz AABSMXNNQXPMAX-NSHDSACASA-N 1 2 235.331 1.347 20 0 BDADLO CC[C@@H](CO)[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600481 643375355 /nfs/dbraw/zinc/37/53/55/643375355.db2.gz AABSMXNNQXPMAX-NSHDSACASA-N 1 2 235.331 1.347 20 0 BDADLO C[C@@H]1CO[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000891016179 643452025 /nfs/dbraw/zinc/45/20/25/643452025.db2.gz HIPBEWBVAXUIPQ-ONGXEEELSA-N 1 2 245.282 1.698 20 0 BDADLO C[C@H](CC(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000733986154 643486169 /nfs/dbraw/zinc/48/61/69/643486169.db2.gz YWGYRAUKEVYMSP-SNVBAGLBSA-N 1 2 233.315 1.703 20 0 BDADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](O)C2)co1 ZINC000929216141 643525588 /nfs/dbraw/zinc/52/55/88/643525588.db2.gz YJKPGNYESAMNHS-LLVKDONJSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](O)C2)co1 ZINC000929216141 643525594 /nfs/dbraw/zinc/52/55/94/643525594.db2.gz YJKPGNYESAMNHS-LLVKDONJSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)COC(=O)[C@H](C)NCc1c[nH+]cn1C ZINC000187900765 643575231 /nfs/dbraw/zinc/57/52/31/643575231.db2.gz RYNJWMNOOUULCR-JTQLQIEISA-N 1 2 239.319 1.097 20 0 BDADLO Cc1nc(C)c(C[NH2+]Cc2c[nH]cn2)s1 ZINC000084149005 643646922 /nfs/dbraw/zinc/64/69/22/643646922.db2.gz DRIZDLHVBFVDNI-UHFFFAOYSA-N 1 2 222.317 1.773 20 0 BDADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H](O)C2)c1Cl ZINC000084275450 643655094 /nfs/dbraw/zinc/65/50/94/643655094.db2.gz MOABDWZSGVACPZ-VIFPVBQESA-N 1 2 243.738 1.339 20 0 BDADLO Cc1nn(C)c(C[N@H+]2CCC[C@H](O)C2)c1Cl ZINC000084275450 643655099 /nfs/dbraw/zinc/65/50/99/643655099.db2.gz MOABDWZSGVACPZ-VIFPVBQESA-N 1 2 243.738 1.339 20 0 BDADLO Cn1c[nH+]cc1COC(=O)c1ccsc1 ZINC000084503496 643663806 /nfs/dbraw/zinc/66/38/06/643663806.db2.gz KPQFCSLKVARSKM-UHFFFAOYSA-N 1 2 222.269 1.839 20 0 BDADLO CCn1c[nH+]cc1CN1CC(O)(C(C)C)C1 ZINC000085192466 643690262 /nfs/dbraw/zinc/69/02/62/643690262.db2.gz CWVQAOILEWVBOG-UHFFFAOYSA-N 1 2 223.320 1.106 20 0 BDADLO c1cc(C[NH2+]Cc2cnn(CC3CCC3)c2)n[nH]1 ZINC000921704606 643757185 /nfs/dbraw/zinc/75/71/85/643757185.db2.gz MIKJBQFRCXGHEJ-UHFFFAOYSA-N 1 2 245.330 1.696 20 0 BDADLO C[N@H+](Cc1ccccc1)[C@@H]1CCOC1=O ZINC000073692984 643851559 /nfs/dbraw/zinc/85/15/59/643851559.db2.gz XFRWPIOCEOZCMB-LLVKDONJSA-N 1 2 205.257 1.434 20 0 BDADLO C[N@@H+](Cc1ccccc1)[C@@H]1CCOC1=O ZINC000073692984 643851565 /nfs/dbraw/zinc/85/15/65/643851565.db2.gz XFRWPIOCEOZCMB-LLVKDONJSA-N 1 2 205.257 1.434 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC2(CCC2)O1 ZINC000922220099 643906727 /nfs/dbraw/zinc/90/67/27/643906727.db2.gz PYKMHUUPQLRMNK-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@]12CCCO2 ZINC000922312499 643967867 /nfs/dbraw/zinc/96/78/67/643967867.db2.gz ZXNWQQMFIKQYDT-AAEUAGOBSA-N 1 2 249.314 1.170 20 0 BDADLO C[N@@H+]1CC[C@@H]1CNCc1cc2n(n1)CCCC2 ZINC000922576001 644029544 /nfs/dbraw/zinc/02/95/44/644029544.db2.gz JHUTVGRWVXLMTN-CYBMUJFWSA-N 1 2 234.347 1.013 20 0 BDADLO C[N@H+]1CC[C@@H]1CNCc1cc2n(n1)CCCC2 ZINC000922576001 644029547 /nfs/dbraw/zinc/02/95/47/644029547.db2.gz JHUTVGRWVXLMTN-CYBMUJFWSA-N 1 2 234.347 1.013 20 0 BDADLO CC(C)(C)OCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922590587 644038127 /nfs/dbraw/zinc/03/81/27/644038127.db2.gz LDYQGIUOGXRLGT-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO Cc1cc(CC(=O)OCc2ccc[nH+]c2N)no1 ZINC000922664380 644064303 /nfs/dbraw/zinc/06/43/03/644064303.db2.gz PHQKXEDFCAMSBX-UHFFFAOYSA-N 1 2 247.254 1.246 20 0 BDADLO COC(C)(C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922673412 644065896 /nfs/dbraw/zinc/06/58/96/644065896.db2.gz QJAMIIJWIFKWNA-UHFFFAOYSA-N 1 2 238.287 1.522 20 0 BDADLO Cc1nc(C(=O)OCc2ccc(N)[nH+]c2)c(C)o1 ZINC000922760360 644088846 /nfs/dbraw/zinc/08/88/46/644088846.db2.gz LNSYPDNXTPYCKK-UHFFFAOYSA-N 1 2 247.254 1.626 20 0 BDADLO Nc1ccc(COC(=O)[C@@H]2CC2(F)F)c[nH+]1 ZINC000922777245 644091935 /nfs/dbraw/zinc/09/19/35/644091935.db2.gz ZOVWIIWJJLZDFY-ZETCQYMHSA-N 1 2 228.198 1.362 20 0 BDADLO CCn1cnc(C(=O)OCc2ccc(N)[nH+]c2)c1 ZINC000922868718 644124576 /nfs/dbraw/zinc/12/45/76/644124576.db2.gz BABKWIDWVIGCAS-UHFFFAOYSA-N 1 2 246.270 1.237 20 0 BDADLO Nc1ccc(COC(=O)C2(C3CC3)CC2)c[nH+]1 ZINC000922943389 644195179 /nfs/dbraw/zinc/19/51/79/644195179.db2.gz DMSLPLHCQYCHNN-UHFFFAOYSA-N 1 2 232.283 1.897 20 0 BDADLO CC[N@H+](CC(C)C)Cn1nc2ccccn2c1=O ZINC000193397517 644236729 /nfs/dbraw/zinc/23/67/29/644236729.db2.gz OXIGTCGZZUDZTF-UHFFFAOYSA-N 1 2 248.330 1.431 20 0 BDADLO CC[N@@H+](CC(C)C)Cn1nc2ccccn2c1=O ZINC000193397517 644236734 /nfs/dbraw/zinc/23/67/34/644236734.db2.gz OXIGTCGZZUDZTF-UHFFFAOYSA-N 1 2 248.330 1.431 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CCC=CO1 ZINC000193676696 644270741 /nfs/dbraw/zinc/27/07/41/644270741.db2.gz YAHXBBRHWZAJLG-SNVBAGLBSA-N 1 2 213.277 1.174 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CCC=CO1 ZINC000193676696 644270746 /nfs/dbraw/zinc/27/07/46/644270746.db2.gz YAHXBBRHWZAJLG-SNVBAGLBSA-N 1 2 213.277 1.174 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC(C)=O ZINC000194075383 644297812 /nfs/dbraw/zinc/29/78/12/644297812.db2.gz ROWDVOGIIXKUAH-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO CCOC(=O)[C@H]1CCCC[N@H+]1CCC(C)=O ZINC000194075383 644297816 /nfs/dbraw/zinc/29/78/16/644297816.db2.gz ROWDVOGIIXKUAH-LLVKDONJSA-N 1 2 227.304 1.383 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@@H]2CO)[nH+]1 ZINC000081019147 644301271 /nfs/dbraw/zinc/30/12/71/644301271.db2.gz RMJYGKBQKVRNTO-MWLCHTKSSA-N 1 2 246.314 1.839 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C/c1ccco1 ZINC000084503373 644425689 /nfs/dbraw/zinc/42/56/89/644425689.db2.gz VVBDRQLYMFZABQ-SNAWJCMRSA-N 1 2 232.239 1.770 20 0 BDADLO CNc1cc(N(C)[C@H](C)C(C)C)nc[nH+]1 ZINC000087813280 644503806 /nfs/dbraw/zinc/50/38/06/644503806.db2.gz BDIWCYWLKFVYPL-SECBINFHSA-N 1 2 208.309 1.999 20 0 BDADLO CNc1cc(N(C)[C@H](C)C(C)C)[nH+]cn1 ZINC000087813280 644503808 /nfs/dbraw/zinc/50/38/08/644503808.db2.gz BDIWCYWLKFVYPL-SECBINFHSA-N 1 2 208.309 1.999 20 0 BDADLO COc1ccccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000089667439 644560112 /nfs/dbraw/zinc/56/01/12/644560112.db2.gz JPUDMYKNQDEPNB-UHFFFAOYSA-N 1 2 235.327 1.898 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+](C)CCOCC ZINC000093314585 644685549 /nfs/dbraw/zinc/68/55/49/644685549.db2.gz ZRJYZRGQPIXJLE-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCOCC ZINC000093314585 644685553 /nfs/dbraw/zinc/68/55/53/644685553.db2.gz ZRJYZRGQPIXJLE-SNVBAGLBSA-N 1 2 217.309 1.296 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccco2)C1 ZINC000093887191 644702636 /nfs/dbraw/zinc/70/26/36/644702636.db2.gz ZAEXJQYRQLGYGK-NSHDSACASA-N 1 2 227.235 1.367 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccco2)C1 ZINC000093887191 644702638 /nfs/dbraw/zinc/70/26/38/644702638.db2.gz ZAEXJQYRQLGYGK-NSHDSACASA-N 1 2 227.235 1.367 20 0 BDADLO CC/C=C(/C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213391 644711006 /nfs/dbraw/zinc/71/10/06/644711006.db2.gz HWKKMEVTRXUWSX-NEOSZVFXSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1[nH]ccc1C(=O)OCCCn1cc[nH+]c1 ZINC000784017994 644761351 /nfs/dbraw/zinc/76/13/51/644761351.db2.gz NOXLXGRMIFEVEF-UHFFFAOYSA-N 1 2 233.271 1.767 20 0 BDADLO Nc1cc(COC(=O)Cc2cncs2)cc[nH+]1 ZINC000792160947 644792083 /nfs/dbraw/zinc/79/20/83/644792083.db2.gz POIIXDWFOCPTOG-UHFFFAOYSA-N 1 2 249.295 1.406 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCCCO1 ZINC000793239926 644801658 /nfs/dbraw/zinc/80/16/58/644801658.db2.gz WYIXMFPVHKYIDP-LLVKDONJSA-N 1 2 238.287 1.075 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCCC2=O)C[C@H](C2CC2)O1 ZINC000794654816 644804377 /nfs/dbraw/zinc/80/43/77/644804377.db2.gz QIVDWKHNDBOEIM-ZYHUDNBSSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCCC2=O)C[C@H](C2CC2)O1 ZINC000794654816 644804381 /nfs/dbraw/zinc/80/43/81/644804381.db2.gz QIVDWKHNDBOEIM-ZYHUDNBSSA-N 1 2 238.331 1.066 20 0 BDADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc[nH]1 ZINC000807171275 644861871 /nfs/dbraw/zinc/86/18/71/644861871.db2.gz RBVOLMPQFFNACU-SECBINFHSA-N 1 2 232.287 1.168 20 0 BDADLO c1cc2c(cn1)C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000809564628 644891410 /nfs/dbraw/zinc/89/14/10/644891410.db2.gz AUBXHBPFZZZSHF-ZDUSSCGKSA-N 1 2 218.300 1.966 20 0 BDADLO c1cc2c(cn1)C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000809564628 644891413 /nfs/dbraw/zinc/89/14/13/644891413.db2.gz AUBXHBPFZZZSHF-ZDUSSCGKSA-N 1 2 218.300 1.966 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NOCCC1CC1 ZINC000817373708 644977468 /nfs/dbraw/zinc/97/74/68/644977468.db2.gz WVIFGZVDJGDBTD-UHFFFAOYSA-N 1 2 237.303 1.511 20 0 BDADLO Cc1cc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cs1 ZINC000824236825 645054212 /nfs/dbraw/zinc/05/42/12/645054212.db2.gz NATOOWOXNZAKRE-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO Cc1cc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cs1 ZINC000824236825 645054220 /nfs/dbraw/zinc/05/42/20/645054220.db2.gz NATOOWOXNZAKRE-SECBINFHSA-N 1 2 238.356 1.719 20 0 BDADLO CC[N@H+](Cn1nc(C)n(C)c1=O)[C@H](C)C(C)C ZINC000844688853 645343137 /nfs/dbraw/zinc/34/31/37/645343137.db2.gz MTNOJWKQGQLVKF-SNVBAGLBSA-N 1 2 240.351 1.214 20 0 BDADLO CC[N@@H+](Cn1nc(C)n(C)c1=O)[C@H](C)C(C)C ZINC000844688853 645343144 /nfs/dbraw/zinc/34/31/44/645343144.db2.gz MTNOJWKQGQLVKF-SNVBAGLBSA-N 1 2 240.351 1.214 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cnn(C)n1 ZINC000926785810 645433902 /nfs/dbraw/zinc/43/39/02/645433902.db2.gz NYNNJHHPHSJDPQ-LPEHRKFASA-N 1 2 226.299 1.746 20 0 BDADLO FC(F)[C@@H]1C[N@@H+]([C@H]2CO[C@@H](C3CC3)C2)CCO1 ZINC000926820474 645442726 /nfs/dbraw/zinc/44/27/26/645442726.db2.gz BYQJSHGOHYXVFC-MXWKQRLJSA-N 1 2 247.285 1.520 20 0 BDADLO FC(F)[C@@H]1C[N@H+]([C@H]2CO[C@@H](C3CC3)C2)CCO1 ZINC000926820474 645442732 /nfs/dbraw/zinc/44/27/32/645442732.db2.gz BYQJSHGOHYXVFC-MXWKQRLJSA-N 1 2 247.285 1.520 20 0 BDADLO CC1(C(N)=O)C[NH+](CC=C(Cl)Cl)C1 ZINC000852205012 645472916 /nfs/dbraw/zinc/47/29/16/645472916.db2.gz UNIWEOOVFVVXOH-UHFFFAOYSA-N 1 2 223.103 1.113 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ncco1 ZINC000926892269 645477614 /nfs/dbraw/zinc/47/76/14/645477614.db2.gz ISRKULJBEUZUTH-IVZWLZJFSA-N 1 2 209.293 1.418 20 0 BDADLO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ncco2)C1=O ZINC000926900753 645484282 /nfs/dbraw/zinc/48/42/82/645484282.db2.gz PUNWDEIURIPBKH-VHSXEESVSA-N 1 2 237.303 1.336 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@]12C[C@H]1CCCC2 ZINC000927429683 645609065 /nfs/dbraw/zinc/60/90/65/645609065.db2.gz MHPCRVNDVLBQCW-YPMHNXCESA-N 1 2 233.315 1.580 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927480138 645622293 /nfs/dbraw/zinc/62/22/93/645622293.db2.gz LUPFLUFWAXPSMB-QJPTWQEYSA-N 1 2 247.342 1.895 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927480804 645622447 /nfs/dbraw/zinc/62/24/47/645622447.db2.gz MJBLRBQJRWRHSH-DCAQKATOSA-N 1 2 233.315 1.505 20 0 BDADLO Nc1ccc(CNC(=O)CCC2CCC2)c[nH+]1 ZINC000927777491 645655229 /nfs/dbraw/zinc/65/52/29/645655229.db2.gz URMBAKNSAYFZGR-UHFFFAOYSA-N 1 2 233.315 1.860 20 0 BDADLO CS[C@@H](C)CC(=O)NCc1ccc(N)[nH+]c1 ZINC000927776435 645655639 /nfs/dbraw/zinc/65/56/39/645655639.db2.gz CDHFEAOGIKDHFX-QMMMGPOBSA-N 1 2 239.344 1.422 20 0 BDADLO CSC(C)(C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927778104 645656196 /nfs/dbraw/zinc/65/61/96/645656196.db2.gz RTXRHRJWLHXOKX-UHFFFAOYSA-N 1 2 239.344 1.422 20 0 BDADLO CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777186 645656811 /nfs/dbraw/zinc/65/68/11/645656811.db2.gz RGTVOBRKJNLYFD-VHSXEESVSA-N 1 2 235.331 1.962 20 0 BDADLO C/C=C(\C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927775787 645656993 /nfs/dbraw/zinc/65/69/93/645656993.db2.gz BBBKIZHCOOCJBK-FPYGCLRLSA-N 1 2 205.261 1.246 20 0 BDADLO CC1(C(=O)NCc2ccc(N)[nH+]c2)CCOCC1 ZINC000927780965 645658794 /nfs/dbraw/zinc/65/87/94/645658794.db2.gz PVDZBYJELCSOMI-UHFFFAOYSA-N 1 2 249.314 1.097 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000928436258 645758444 /nfs/dbraw/zinc/75/84/44/645758444.db2.gz BIKYAQQVPKSVIJ-QYNIQEEDSA-N 1 2 242.216 1.096 20 0 BDADLO C[C@@H]1[C@H](NC(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000928436258 645758449 /nfs/dbraw/zinc/75/84/49/645758449.db2.gz BIKYAQQVPKSVIJ-QYNIQEEDSA-N 1 2 242.216 1.096 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1ncccn1 ZINC000930176624 645860181 /nfs/dbraw/zinc/86/01/81/645860181.db2.gz UQODVHQVDVMJSY-JTQLQIEISA-N 1 2 209.293 1.506 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1ncccn1 ZINC000930176624 645860182 /nfs/dbraw/zinc/86/01/82/645860182.db2.gz UQODVHQVDVMJSY-JTQLQIEISA-N 1 2 209.293 1.506 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000929108630 645947332 /nfs/dbraw/zinc/94/73/32/645947332.db2.gz DUSIIGFATVMGNW-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000929108630 645947346 /nfs/dbraw/zinc/94/73/46/645947346.db2.gz DUSIIGFATVMGNW-LBPRGKRZSA-N 1 2 220.316 1.919 20 0 BDADLO c1cnc2c(c1)C[N@@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930306668 645951017 /nfs/dbraw/zinc/95/10/17/645951017.db2.gz KQEVCGBMHIKNBT-LBPRGKRZSA-N 1 2 246.310 1.345 20 0 BDADLO c1cnc2c(c1)C[N@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930306668 645951026 /nfs/dbraw/zinc/95/10/26/645951026.db2.gz KQEVCGBMHIKNBT-LBPRGKRZSA-N 1 2 246.310 1.345 20 0 BDADLO c1[nH]cc([C@H]2C[C@@H]2c2nc(C3CSC3)no2)[nH+]1 ZINC000924109761 645979917 /nfs/dbraw/zinc/97/99/17/645979917.db2.gz MVRYCZTWBGDJPD-YUMQZZPRSA-N 1 2 248.311 1.894 20 0 BDADLO COC(=O)/C=C(\C)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000929182734 645992307 /nfs/dbraw/zinc/99/23/07/645992307.db2.gz PLTMTHKEQDKEAS-VREQRIBMSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C=C(\C)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000929182734 645992318 /nfs/dbraw/zinc/99/23/18/645992318.db2.gz PLTMTHKEQDKEAS-VREQRIBMSA-N 1 2 227.304 1.215 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cnn(C)n1 ZINC000924566376 646070952 /nfs/dbraw/zinc/07/09/52/646070952.db2.gz XGOWHDLMDSQGCL-VHSXEESVSA-N 1 2 231.303 1.622 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000924693952 646090520 /nfs/dbraw/zinc/09/05/20/646090520.db2.gz CRIZJPWBTPTZRD-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO COc1nnc(C[N@H+](C)CC(C)C)s1 ZINC000929362983 646096370 /nfs/dbraw/zinc/09/63/70/646096370.db2.gz XGDJYHNXPLGWRN-UHFFFAOYSA-N 1 2 215.322 1.635 20 0 BDADLO COc1nnc(C[N@@H+](C)CC(C)C)s1 ZINC000929362983 646096373 /nfs/dbraw/zinc/09/63/73/646096373.db2.gz XGDJYHNXPLGWRN-UHFFFAOYSA-N 1 2 215.322 1.635 20 0 BDADLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924893830 646125259 /nfs/dbraw/zinc/12/52/59/646125259.db2.gz ZABXTXAFYDMEMN-VIFPVBQESA-N 1 2 248.334 1.016 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCNC(=O)[C@H]2C)c1 ZINC000929488162 646143631 /nfs/dbraw/zinc/14/36/31/646143631.db2.gz RYVGXJWKBKWBHM-LLVKDONJSA-N 1 2 233.315 1.019 20 0 BDADLO CC[S@@](=O)CC[NH2+][C@@H](C)c1ncco1 ZINC000925043534 646164410 /nfs/dbraw/zinc/16/44/10/646164410.db2.gz IUMILDBZFDZHBZ-RMLUDKJBSA-N 1 2 216.306 1.094 20 0 BDADLO CC(C)c1cc(C[NH2+][C@@H](C)c2cnnn2C)on1 ZINC000925067279 646174817 /nfs/dbraw/zinc/17/48/17/646174817.db2.gz NBRXVDQCQWSJSQ-VIFPVBQESA-N 1 2 249.318 1.777 20 0 BDADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nncs1 ZINC000929594541 646189777 /nfs/dbraw/zinc/18/97/77/646189777.db2.gz FQTYNBWUKBAVPG-BDAKNGLRSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nncs1 ZINC000929594541 646189783 /nfs/dbraw/zinc/18/97/83/646189783.db2.gz FQTYNBWUKBAVPG-BDAKNGLRSA-N 1 2 227.333 1.273 20 0 BDADLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000929600972 646193955 /nfs/dbraw/zinc/19/39/55/646193955.db2.gz ZKNQWOMIKRDUMV-SECBINFHSA-N 1 2 245.282 1.424 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccns1 ZINC000925235489 646216989 /nfs/dbraw/zinc/21/69/89/646216989.db2.gz HGOXBNCSSGESLM-DTWKUNHWSA-N 1 2 249.343 1.920 20 0 BDADLO CC[N@H+](Cc1nnc(OC)s1)C1CCC1 ZINC000929678324 646236588 /nfs/dbraw/zinc/23/65/88/646236588.db2.gz AXSTYKLAEWUFRX-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO CC[N@@H+](Cc1nnc(OC)s1)C1CCC1 ZINC000929678324 646236597 /nfs/dbraw/zinc/23/65/97/646236597.db2.gz AXSTYKLAEWUFRX-UHFFFAOYSA-N 1 2 227.333 1.921 20 0 BDADLO CC(F)(F)CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000929784721 646310962 /nfs/dbraw/zinc/31/09/62/646310962.db2.gz BHCUFEXFNSMGCO-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO CC(F)(F)CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000929784721 646310973 /nfs/dbraw/zinc/31/09/73/646310973.db2.gz BHCUFEXFNSMGCO-UHFFFAOYSA-N 1 2 246.301 1.728 20 0 BDADLO COc1nnc(C[N@@H+]2CCC3(CCC3)C2)s1 ZINC000929830056 646347132 /nfs/dbraw/zinc/34/71/32/646347132.db2.gz YLRADOIGXSMWEW-UHFFFAOYSA-N 1 2 239.344 1.923 20 0 BDADLO COc1nnc(C[N@H+]2CCC3(CCC3)C2)s1 ZINC000929830056 646347135 /nfs/dbraw/zinc/34/71/35/646347135.db2.gz YLRADOIGXSMWEW-UHFFFAOYSA-N 1 2 239.344 1.923 20 0 BDADLO CC1=CC[N@H+](Cc2noc3c2COCC3)CC1 ZINC000930093187 646431162 /nfs/dbraw/zinc/43/11/62/646431162.db2.gz APFADWDQTYRXIM-UHFFFAOYSA-N 1 2 234.299 1.899 20 0 BDADLO CC1=CC[N@@H+](Cc2noc3c2COCC3)CC1 ZINC000930093187 646431165 /nfs/dbraw/zinc/43/11/65/646431165.db2.gz APFADWDQTYRXIM-UHFFFAOYSA-N 1 2 234.299 1.899 20 0 BDADLO C[C@@H]1OC[C@H]([NH2+]C2(C(F)F)CC2)[C@@H]1C ZINC000926364923 646622473 /nfs/dbraw/zinc/62/24/73/646622473.db2.gz PVFWIEQAVFHFDW-CSMHCCOUSA-N 1 2 205.248 1.797 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000724222824 711571135 /nfs/dbraw/zinc/57/11/35/711571135.db2.gz CCZLSDMOIRLPGS-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000724222824 711571138 /nfs/dbraw/zinc/57/11/38/711571138.db2.gz CCZLSDMOIRLPGS-QWRGUYRKSA-N 1 2 229.320 1.439 20 0 BDADLO CCC(CC)CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724728672 711609716 /nfs/dbraw/zinc/60/97/16/711609716.db2.gz YLTQZZAWYBHMJY-MRVPVSSYSA-N 1 2 222.279 1.521 20 0 BDADLO Cc1csc(NC(=O)C[C@@H]([NH3+])C(F)F)n1 ZINC000724750459 711610717 /nfs/dbraw/zinc/61/07/17/711610717.db2.gz DXGNGBMUTBRBAN-RXMQYKEDSA-N 1 2 235.259 1.373 20 0 BDADLO CC[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000724749925 711610826 /nfs/dbraw/zinc/61/08/26/711610826.db2.gz BNFHPUAVFPOPEZ-DTWKUNHWSA-N 1 2 234.290 1.760 20 0 BDADLO [NH3+][C@@H](CC(=O)Nc1nccs1)C(F)F ZINC000724730799 711610159 /nfs/dbraw/zinc/61/01/59/711610159.db2.gz WBMAXXPIAFVIBG-BYPYZUCNSA-N 1 2 221.232 1.064 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000162885948 711735340 /nfs/dbraw/zinc/73/53/40/711735340.db2.gz CKKHRMYGBUCGJY-GHMZBOCLSA-N 1 2 229.320 1.200 20 0 BDADLO COc1cc(C[NH2+]Cc2ccn(C)n2)sn1 ZINC000399105557 711743619 /nfs/dbraw/zinc/74/36/19/711743619.db2.gz JCVKOZLRZVANDT-UHFFFAOYSA-N 1 2 238.316 1.175 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+]2CCCOCC2)o1 ZINC000334170487 711775472 /nfs/dbraw/zinc/77/54/72/711775472.db2.gz AJGIYAZIRQJDMI-SNVBAGLBSA-N 1 2 210.277 1.766 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+]2CCCOCC2)o1 ZINC000334170487 711775474 /nfs/dbraw/zinc/77/54/74/711775474.db2.gz AJGIYAZIRQJDMI-SNVBAGLBSA-N 1 2 210.277 1.766 20 0 BDADLO COCC(COC)[NH2+][C@@H](C)c1cscn1 ZINC000388394728 711874572 /nfs/dbraw/zinc/87/45/72/711874572.db2.gz GQRXKZACBCDBRM-QMMMGPOBSA-N 1 2 230.333 1.455 20 0 BDADLO CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001032847109 711961855 /nfs/dbraw/zinc/96/18/55/711961855.db2.gz VFPKEVKWCGLWIH-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001032847109 711961856 /nfs/dbraw/zinc/96/18/56/711961856.db2.gz VFPKEVKWCGLWIH-NSHDSACASA-N 1 2 237.303 1.117 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1ccnc(Cl)c1 ZINC000700241893 711989256 /nfs/dbraw/zinc/98/92/56/711989256.db2.gz DLFILJJXBGHGNL-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1ccnc(Cl)c1 ZINC000700241893 711989258 /nfs/dbraw/zinc/98/92/58/711989258.db2.gz DLFILJJXBGHGNL-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO Cn1nc(C[N@H+](CCO)C2CC2)cc1Cl ZINC000706169458 712141536 /nfs/dbraw/zinc/14/15/36/712141536.db2.gz WZHQEITVULRQPY-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1nc(C[N@@H+](CCO)C2CC2)cc1Cl ZINC000706169458 712141537 /nfs/dbraw/zinc/14/15/37/712141537.db2.gz WZHQEITVULRQPY-UHFFFAOYSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C(=O)OC(C)(C)C ZINC000707227613 712167096 /nfs/dbraw/zinc/16/70/96/712167096.db2.gz TYIVLFPIZFBWMK-OPRDCNLKSA-N 1 2 229.320 1.220 20 0 BDADLO C[C@H]([NH2+]Cc1ccco1)c1cn(C)cn1 ZINC000709985529 712237077 /nfs/dbraw/zinc/23/70/77/712237077.db2.gz FBIUVQGYHHWNLF-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)CO1 ZINC000713562539 712465127 /nfs/dbraw/zinc/46/51/27/712465127.db2.gz UKOINPDFGMGYPZ-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)CO1 ZINC000713562539 712465128 /nfs/dbraw/zinc/46/51/28/712465128.db2.gz UKOINPDFGMGYPZ-NSHDSACASA-N 1 2 243.347 1.687 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)C(=O)OC ZINC000713599295 712466793 /nfs/dbraw/zinc/46/67/93/712466793.db2.gz KBUYSTINMIANHP-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc(NCC[C@H]2CCCS2)nc(N)[nH+]1 ZINC000715932861 712543742 /nfs/dbraw/zinc/54/37/42/712543742.db2.gz QYKXEEOQADXXQP-MRVPVSSYSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1nc(N)nc(NCC[C@H]2CCCS2)[nH+]1 ZINC000715932861 712543743 /nfs/dbraw/zinc/54/37/43/712543743.db2.gz QYKXEEOQADXXQP-MRVPVSSYSA-N 1 2 239.348 1.460 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2cn(C)cn2)c1C ZINC000716491652 712565991 /nfs/dbraw/zinc/56/59/91/712565991.db2.gz QGIRQVFMJHPBOZ-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000716855226 712578952 /nfs/dbraw/zinc/57/89/52/712578952.db2.gz IBVDYRKGTJYMRJ-OUAUKWLOSA-N 1 2 245.363 1.856 20 0 BDADLO Nc1cc(COC(=O)C2=CCCC2)cc[nH+]1 ZINC000381361546 710626986 /nfs/dbraw/zinc/62/69/86/710626986.db2.gz FCGDONOOTMEOON-UHFFFAOYSA-N 1 2 218.256 1.648 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H]1CC12CCC2)C1CC1 ZINC000721212126 712898624 /nfs/dbraw/zinc/89/86/24/712898624.db2.gz BBSNADGSBWDZKF-VHSXEESVSA-N 1 2 209.289 1.470 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC12CCC2 ZINC000721234861 712899896 /nfs/dbraw/zinc/89/98/96/712899896.db2.gz NIINOSTVIPKNRM-VIFPVBQESA-N 1 2 229.287 1.718 20 0 BDADLO COC[C@H](C[N@H+](CCO)CC(F)F)C(C)C ZINC000721968723 710696248 /nfs/dbraw/zinc/69/62/48/710696248.db2.gz VHPISSHZOPJGAO-JTQLQIEISA-N 1 2 239.306 1.464 20 0 BDADLO COC[C@H](C[N@@H+](CCO)CC(F)F)C(C)C ZINC000721968723 710696252 /nfs/dbraw/zinc/69/62/52/710696252.db2.gz VHPISSHZOPJGAO-JTQLQIEISA-N 1 2 239.306 1.464 20 0 BDADLO C[NH+](C)Cc1csc(CNc2cnccn2)n1 ZINC000722403916 710712914 /nfs/dbraw/zinc/71/29/14/710712914.db2.gz GSADSNONMUZUAE-UHFFFAOYSA-N 1 2 249.343 1.607 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cccnc1F ZINC000382008791 710765637 /nfs/dbraw/zinc/76/56/37/710765637.db2.gz CCWYFSCOSZXINU-UHFFFAOYSA-N 1 2 221.235 1.807 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cccs2)C1 ZINC000382136342 710799965 /nfs/dbraw/zinc/79/99/65/710799965.db2.gz YNFQYRQITHDZHY-UHFFFAOYSA-N 1 2 224.329 1.572 20 0 BDADLO CCc1nn(C)cc1C[NH2+]Cc1cn(C)cn1 ZINC000383503827 710983545 /nfs/dbraw/zinc/98/35/45/710983545.db2.gz FQXRNONNGNMSQL-UHFFFAOYSA-N 1 2 233.319 1.006 20 0 BDADLO CC(=O)C1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000722041640 712902392 /nfs/dbraw/zinc/90/23/92/712902392.db2.gz AZKNCQVUYJFSCI-UHFFFAOYSA-N 1 2 248.326 1.509 20 0 BDADLO CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001068432354 711016077 /nfs/dbraw/zinc/01/60/77/711016077.db2.gz ZOHRBMROKXERSQ-XYPYZODXSA-N 1 2 234.303 1.112 20 0 BDADLO CCCCOC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000386206926 711024667 /nfs/dbraw/zinc/02/46/67/711024667.db2.gz SNYHKOIMWJYBLI-LBPRGKRZSA-N 1 2 243.347 1.470 20 0 BDADLO CC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001069441575 711042829 /nfs/dbraw/zinc/04/28/29/711042829.db2.gz BEWAUQCWWGGWBK-NEPJUHHUSA-N 1 2 248.330 1.502 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nnc(C(C)(C)C)o2)C[C@@H]1O ZINC000387958509 711050151 /nfs/dbraw/zinc/05/01/51/711050151.db2.gz YEGVQDSWMICLGF-BDAKNGLRSA-N 1 2 239.319 1.180 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nnc(C(C)(C)C)o2)C[C@@H]1O ZINC000387958509 711050156 /nfs/dbraw/zinc/05/01/56/711050156.db2.gz YEGVQDSWMICLGF-BDAKNGLRSA-N 1 2 239.319 1.180 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+]CC(C)(C)COC ZINC000389608550 711083098 /nfs/dbraw/zinc/08/30/98/711083098.db2.gz ZSFOZLUUTUCYSF-SECBINFHSA-N 1 2 217.309 1.200 20 0 BDADLO Nc1cc(COC(=O)C2CC=CC2)cc[nH+]1 ZINC000390365406 711113948 /nfs/dbraw/zinc/11/39/48/711113948.db2.gz TYUGCFMEUHJBQL-UHFFFAOYSA-N 1 2 218.256 1.504 20 0 BDADLO Cc1cc([C@@H](C)N[C@@H]2CC[N@H+](C)C2)n(C)n1 ZINC000390420781 711116720 /nfs/dbraw/zinc/11/67/20/711116720.db2.gz JNVNKENNPBTMCJ-GHMZBOCLSA-N 1 2 222.336 1.083 20 0 BDADLO Cc1cc([C@@H](C)N[C@@H]2CC[N@@H+](C)C2)n(C)n1 ZINC000390420781 711116726 /nfs/dbraw/zinc/11/67/26/711116726.db2.gz JNVNKENNPBTMCJ-GHMZBOCLSA-N 1 2 222.336 1.083 20 0 BDADLO C[S@](=O)CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000390504844 711122175 /nfs/dbraw/zinc/12/21/75/711122175.db2.gz WNFIWOSCQMFOGO-INIZCTEOSA-N 1 2 237.328 1.031 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)C(F)F)C[N@@H+]1CCF ZINC001071291941 711185806 /nfs/dbraw/zinc/18/58/06/711185806.db2.gz RITPEQYFFVSDJV-HTQZYQBOSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)C(F)F)C[N@H+]1CCF ZINC001071291941 711185807 /nfs/dbraw/zinc/18/58/07/711185807.db2.gz RITPEQYFFVSDJV-HTQZYQBOSA-N 1 2 238.253 1.190 20 0 BDADLO CCCCOC(=O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399306471 711426992 /nfs/dbraw/zinc/42/69/92/711426992.db2.gz PZJFKIUYDNACLX-QWRGUYRKSA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399306471 711426994 /nfs/dbraw/zinc/42/69/94/711426994.db2.gz PZJFKIUYDNACLX-QWRGUYRKSA-N 1 2 229.320 1.175 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]Cc2cc[nH]n2)n(C)n1 ZINC000381275446 710615973 /nfs/dbraw/zinc/61/59/73/710615973.db2.gz WUPHJXCOFVDFQX-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO CNc1cc(NCC2(OC)CCCC2)[nH+]cn1 ZINC000384121104 710617056 /nfs/dbraw/zinc/61/70/56/710617056.db2.gz GVLMWHWFBNYTHJ-UHFFFAOYSA-N 1 2 236.319 1.311 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2cscn2)C1 ZINC001046088141 710845262 /nfs/dbraw/zinc/84/52/62/710845262.db2.gz GDRAURGSOZZGRP-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2cscn2)C1 ZINC001046088141 710845267 /nfs/dbraw/zinc/84/52/67/710845267.db2.gz GDRAURGSOZZGRP-LLVKDONJSA-N 1 2 239.344 1.244 20 0 BDADLO COc1ccc(C[NH2+]Cc2cocn2)cc1C#N ZINC000397791455 711392018 /nfs/dbraw/zinc/39/20/18/711392018.db2.gz SBFCEZKZTCHKHR-UHFFFAOYSA-N 1 2 243.266 1.845 20 0 BDADLO CC(C)(O)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000398337172 711407616 /nfs/dbraw/zinc/40/76/16/711407616.db2.gz LDNRMNLWQJDFNR-UHFFFAOYSA-N 1 2 246.314 1.322 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2cnsn2)CC1 ZINC000399688790 711434246 /nfs/dbraw/zinc/43/42/46/711434246.db2.gz UXYZFGGAQCSOAC-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2cnsn2)CC1 ZINC000399688790 711434248 /nfs/dbraw/zinc/43/42/48/711434248.db2.gz UXYZFGGAQCSOAC-JTQLQIEISA-N 1 2 227.333 1.275 20 0 BDADLO COC[C@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000383167353 711448932 /nfs/dbraw/zinc/44/89/32/711448932.db2.gz FPXROWSFTZMSII-JTQLQIEISA-N 1 2 239.319 1.839 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724256030 711572384 /nfs/dbraw/zinc/57/23/84/711572384.db2.gz LMFRZFHRBVWGPY-YTWAJWBKSA-N 1 2 229.320 1.484 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC000725022752 711643685 /nfs/dbraw/zinc/64/36/85/711643685.db2.gz COAMXWBJTAETGJ-ONGXEEELSA-N 1 2 229.320 1.079 20 0 BDADLO Clc1cnn(C[N@@H+]2CCCSCC2)c1 ZINC000066350531 711671932 /nfs/dbraw/zinc/67/19/32/711671932.db2.gz FMOKSWQSDGVMEC-UHFFFAOYSA-N 1 2 231.752 1.933 20 0 BDADLO Clc1cnn(C[N@H+]2CCCSCC2)c1 ZINC000066350531 711671933 /nfs/dbraw/zinc/67/19/33/711671933.db2.gz FMOKSWQSDGVMEC-UHFFFAOYSA-N 1 2 231.752 1.933 20 0 BDADLO C[NH+](C)Cc1csc(CNc2ncccn2)n1 ZINC000722405399 711754657 /nfs/dbraw/zinc/75/46/57/711754657.db2.gz SNSUWGCKSHDHEB-UHFFFAOYSA-N 1 2 249.343 1.607 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981884959 711757396 /nfs/dbraw/zinc/75/73/96/711757396.db2.gz KQISMTFETHJTQI-NEPJUHHUSA-N 1 2 242.338 1.536 20 0 BDADLO C[C@@H]1C[C@H]1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981884959 711757397 /nfs/dbraw/zinc/75/73/97/711757397.db2.gz KQISMTFETHJTQI-NEPJUHHUSA-N 1 2 242.338 1.536 20 0 BDADLO C[N@@H+]1CC[C@H]1CNC(=O)c1scnc1Cl ZINC000928565764 711779180 /nfs/dbraw/zinc/77/91/80/711779180.db2.gz MEGCHLREWNBAAJ-LURJTMIESA-N 1 2 245.735 1.230 20 0 BDADLO C[N@H+]1CC[C@H]1CNC(=O)c1scnc1Cl ZINC000928565764 711779182 /nfs/dbraw/zinc/77/91/82/711779182.db2.gz MEGCHLREWNBAAJ-LURJTMIESA-N 1 2 245.735 1.230 20 0 BDADLO Cc1[nH]c(CNC(=O)c2ccnnc2C)[nH+]c1C ZINC000896915795 711783915 /nfs/dbraw/zinc/78/39/15/711783915.db2.gz LBJASZROQUMMBM-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1[nH]c(CNC(=O)CCC(F)(F)F)[nH+]c1C ZINC000896914899 711783963 /nfs/dbraw/zinc/78/39/63/711783963.db2.gz CVFAIQMZULWCBT-UHFFFAOYSA-N 1 2 249.236 1.985 20 0 BDADLO CONC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000083172545 711909226 /nfs/dbraw/zinc/90/92/26/711909226.db2.gz AJFCKDZDRHDVTK-UHFFFAOYSA-N 1 2 248.286 1.046 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062747 711931432 /nfs/dbraw/zinc/93/14/32/711931432.db2.gz KNXBGMAIBUGFFV-VXNVDRBHSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000707062747 711931434 /nfs/dbraw/zinc/93/14/34/711931434.db2.gz KNXBGMAIBUGFFV-VXNVDRBHSA-N 1 2 229.711 1.029 20 0 BDADLO Cc1nc(C(=O)NCc2c[nH+]c(C)cc2C)no1 ZINC000454350854 711969801 /nfs/dbraw/zinc/96/98/01/711969801.db2.gz RVLWJGJDKPGZPK-UHFFFAOYSA-N 1 2 246.270 1.320 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000922612668 711974594 /nfs/dbraw/zinc/97/45/94/711974594.db2.gz BMWZNBRECOBKDD-GXFFZTMASA-N 1 2 248.282 1.134 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+][C@@H]1CO[C@@H](C3CC3)C1)CCC2 ZINC000700993971 712011070 /nfs/dbraw/zinc/01/10/70/712011070.db2.gz VJELQYONLQCDCE-ZKYQVNSYSA-N 1 2 247.342 1.944 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H](F)C1 ZINC000701906337 712032111 /nfs/dbraw/zinc/03/21/11/712032111.db2.gz ZZQUPGTUWSTWFN-CYNRKNSPSA-N 1 2 215.268 1.540 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCC[C@H](F)C1 ZINC000701906337 712032112 /nfs/dbraw/zinc/03/21/12/712032112.db2.gz ZZQUPGTUWSTWFN-CYNRKNSPSA-N 1 2 215.268 1.540 20 0 BDADLO COC(=O)c1sccc1C[NH2+][C@@H](C)CF ZINC000702650672 712058583 /nfs/dbraw/zinc/05/85/83/712058583.db2.gz XBRQEEJXBQZGJH-ZETCQYMHSA-N 1 2 231.292 1.982 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166956 712141398 /nfs/dbraw/zinc/14/13/98/712141398.db2.gz MGSDNIKDOIHGTN-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000706166956 712141399 /nfs/dbraw/zinc/14/13/99/712141399.db2.gz MGSDNIKDOIHGTN-BDAKNGLRSA-N 1 2 243.738 1.276 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC(SC)C1 ZINC000706955077 712163132 /nfs/dbraw/zinc/16/31/32/712163132.db2.gz FEXXOHSPCGZKRW-JECWYVHBSA-N 1 2 203.307 1.032 20 0 BDADLO CC[C@@]1(O)CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000710270446 712250313 /nfs/dbraw/zinc/25/03/13/712250313.db2.gz WHFYJHDMHMJNFV-GFCCVEGCSA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@@]1(O)CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000710270446 712250316 /nfs/dbraw/zinc/25/03/16/712250316.db2.gz WHFYJHDMHMJNFV-GFCCVEGCSA-N 1 2 236.319 1.260 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+][C@H](C)c1cscn1 ZINC000710968057 712270458 /nfs/dbraw/zinc/27/04/58/712270458.db2.gz CAYFMCLOSAPMTR-PSASIEDQSA-N 1 2 242.344 1.945 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000711438714 712300014 /nfs/dbraw/zinc/30/00/14/712300014.db2.gz KFZRENBKSTWZPU-VHSXEESVSA-N 1 2 237.303 1.069 20 0 BDADLO O=C(CCn1cc[nH+]c1)NC[C@@H]1C=CCC1 ZINC000711790352 712331096 /nfs/dbraw/zinc/33/10/96/712331096.db2.gz XATONHZKOUYBFV-LLVKDONJSA-N 1 2 219.288 1.356 20 0 BDADLO CCC(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001062862229 712342046 /nfs/dbraw/zinc/34/20/46/712342046.db2.gz PXOCONQPMNCGPP-NSHDSACASA-N 1 2 248.330 1.232 20 0 BDADLO CCN(C(C)=O)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001063070772 712342371 /nfs/dbraw/zinc/34/23/71/712342371.db2.gz BLPZPCCDTXMXGI-LBPRGKRZSA-N 1 2 248.330 1.232 20 0 BDADLO CCC(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001062862228 712342438 /nfs/dbraw/zinc/34/24/38/712342438.db2.gz PXOCONQPMNCGPP-LLVKDONJSA-N 1 2 248.330 1.232 20 0 BDADLO CNc1cc(N2CCC[C@H](CO)CC2)nc[nH+]1 ZINC000378748000 712358790 /nfs/dbraw/zinc/35/87/90/712358790.db2.gz MVJNKWFPGWXKJB-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CNc1cc(N2CCC[C@H](CO)CC2)[nH+]cn1 ZINC000378748000 712358791 /nfs/dbraw/zinc/35/87/91/712358791.db2.gz MVJNKWFPGWXKJB-JTQLQIEISA-N 1 2 236.319 1.117 20 0 BDADLO CC[NH2+]Cc1noc(CO[C@@H](C)CC)n1 ZINC000379461181 712384856 /nfs/dbraw/zinc/38/48/56/712384856.db2.gz SRKGCCNUWPDNIE-QMMMGPOBSA-N 1 2 213.281 1.494 20 0 BDADLO CNC(=S)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759133195 712409054 /nfs/dbraw/zinc/40/90/54/712409054.db2.gz CKAMHCGGNQEQJI-UWVGGRQHSA-N 1 2 238.360 1.270 20 0 BDADLO C[C@H](CO)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795349 712449128 /nfs/dbraw/zinc/44/91/28/712449128.db2.gz JEYHUYCNKTUCES-IUCAKERBSA-N 1 2 241.253 1.268 20 0 BDADLO C[C@H](CO)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712795349 712449129 /nfs/dbraw/zinc/44/91/29/712449129.db2.gz JEYHUYCNKTUCES-IUCAKERBSA-N 1 2 241.253 1.268 20 0 BDADLO Cn1cc(Cn2cc[nH+]c2)c(Br)n1 ZINC000713831218 712472838 /nfs/dbraw/zinc/47/28/38/712472838.db2.gz GNCRWAYOSXUURA-UHFFFAOYSA-N 1 2 241.092 1.427 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cccnc2)nn1 ZINC000714515991 712493664 /nfs/dbraw/zinc/49/36/64/712493664.db2.gz SSSDTBJIRUIEMS-UHFFFAOYSA-N 1 2 231.303 1.373 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715385008 712522368 /nfs/dbraw/zinc/52/23/68/712522368.db2.gz HNIKVZFZOYRSGQ-HLTSFMKQSA-N 1 2 247.285 1.914 20 0 BDADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715385008 712522369 /nfs/dbraw/zinc/52/23/69/712522369.db2.gz HNIKVZFZOYRSGQ-HLTSFMKQSA-N 1 2 247.285 1.914 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cn(C)nn1 ZINC000715849360 712535804 /nfs/dbraw/zinc/53/58/04/712535804.db2.gz FBZMOMFYHCLNDG-GWCFXTLKSA-N 1 2 246.314 1.199 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1cn(C)nn1 ZINC000715854509 712536548 /nfs/dbraw/zinc/53/65/48/712536548.db2.gz MLVVZIWYEGDYBM-NXEZZACHSA-N 1 2 231.303 1.622 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1cn(C)nn1 ZINC000715863634 712537133 /nfs/dbraw/zinc/53/71/33/712537133.db2.gz YMVAALKCRJVXFP-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1cn(C)nn1 ZINC000715856128 712537636 /nfs/dbraw/zinc/53/76/36/712537636.db2.gz QOTXTISGRPEQDT-UWVGGRQHSA-N 1 2 231.303 1.622 20 0 BDADLO Cc1ncc(C[NH2+][C@H](C)c2cn(C)nn2)s1 ZINC000715896816 712541134 /nfs/dbraw/zinc/54/11/34/712541134.db2.gz WTCIXXBYFSZRQN-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1n[nH]c(C[NH2+]Cc2cc[nH]n2)c1C ZINC000716451008 712561981 /nfs/dbraw/zinc/56/19/81/712561981.db2.gz MHVDUMHPAHTNTI-UHFFFAOYSA-N 1 2 205.265 1.039 20 0 BDADLO CC[NH2+]Cc1noc([C@H]2C[C@@H](C)CO2)n1 ZINC000718427314 712760659 /nfs/dbraw/zinc/76/06/59/712760659.db2.gz ODEATUPCMAJBIM-HTQZYQBOSA-N 1 2 211.265 1.277 20 0 BDADLO CCCNc1cc(NCc2nnc(C)o2)nc[nH+]1 ZINC000719381608 712806891 /nfs/dbraw/zinc/80/68/91/712806891.db2.gz GJQCIEMYGCENEW-UHFFFAOYSA-N 1 2 248.290 1.602 20 0 BDADLO CCCNc1cc(NCc2nnc(C)o2)[nH+]cn1 ZINC000719381608 712806892 /nfs/dbraw/zinc/80/68/92/712806892.db2.gz GJQCIEMYGCENEW-UHFFFAOYSA-N 1 2 248.290 1.602 20 0 BDADLO Cc1nc(N2CCC[C@@H](C(C)(C)O)C2)cc[nH+]1 ZINC000719670830 712817988 /nfs/dbraw/zinc/81/79/88/712817988.db2.gz SHDAOGCEMFCXQO-LLVKDONJSA-N 1 2 235.331 1.772 20 0 BDADLO COc1cc(C[NH2+]Cc2cc(C)on2)ccn1 ZINC000720353077 712833303 /nfs/dbraw/zinc/83/33/03/712833303.db2.gz RYXGXQOGCQXNKR-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO Cc1cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)no1 ZINC000720420635 712841417 /nfs/dbraw/zinc/84/14/17/712841417.db2.gz VUWAFPGWHXPSPP-LBPRGKRZSA-N 1 2 249.314 1.226 20 0 BDADLO C[C@H]1Cc2cc(C[NH+]3CCOCC3)ccc2O1 ZINC000720781856 712865239 /nfs/dbraw/zinc/86/52/39/712865239.db2.gz UENBPPDVOMPENZ-NSHDSACASA-N 1 2 233.311 1.842 20 0 BDADLO COCCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209213707 957356876 /nfs/dbraw/zinc/35/68/76/957356876.db2.gz GDHYHEWTSHLIJK-SNVBAGLBSA-N 1 2 217.284 1.416 20 0 BDADLO COCCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209213707 957356889 /nfs/dbraw/zinc/35/68/89/957356889.db2.gz GDHYHEWTSHLIJK-SNVBAGLBSA-N 1 2 217.284 1.416 20 0 BDADLO OCC1C[NH+](Cc2ccccc2OC(F)F)C1 ZINC000091487474 958169719 /nfs/dbraw/zinc/16/97/19/958169719.db2.gz QAFUVKUGSVJIQG-UHFFFAOYSA-N 1 2 243.253 1.712 20 0 BDADLO Cc1ncsc1CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724742994 959356444 /nfs/dbraw/zinc/35/64/44/959356444.db2.gz UHIVIKRMOJJYCQ-LURJTMIESA-N 1 2 249.286 1.050 20 0 BDADLO [NH3+][C@H](CC(=O)NCCCCC1CC1)C(F)F ZINC000724750450 959367224 /nfs/dbraw/zinc/36/72/24/959367224.db2.gz DRJRQPOHHGDOSO-SECBINFHSA-N 1 2 234.290 1.665 20 0 BDADLO Cc1nnc(C[NH2+]CCN2CC[C@@H](C)C2)s1 ZINC000692528109 960265689 /nfs/dbraw/zinc/26/56/89/960265689.db2.gz KQBGJSYKCKDUNF-SECBINFHSA-N 1 2 240.376 1.278 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)n[nH]1 ZINC001203070287 960627066 /nfs/dbraw/zinc/62/70/66/960627066.db2.gz NOWRJYPHZLXLTR-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)n[nH]1 ZINC001203070287 960627077 /nfs/dbraw/zinc/62/70/77/960627077.db2.gz NOWRJYPHZLXLTR-WDEREUQCSA-N 1 2 227.283 1.013 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@](F)(CO)CC2)n[nH]1 ZINC001203070389 960624532 /nfs/dbraw/zinc/62/45/32/960624532.db2.gz RBLVYOWKOQOLFH-GFCCVEGCSA-N 1 2 241.310 1.405 20 0 BDADLO C[C@@H](OCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC001222600395 960719832 /nfs/dbraw/zinc/71/98/32/960719832.db2.gz OAQGEAJBDZCEDY-SECBINFHSA-N 1 2 240.303 1.667 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+](Cc2ncco2)C1 ZINC001141005721 960804597 /nfs/dbraw/zinc/80/45/97/960804597.db2.gz RVDIUAWTFVNNTB-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ncco2)C1 ZINC001141005721 960804598 /nfs/dbraw/zinc/80/45/98/960804598.db2.gz RVDIUAWTFVNNTB-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO Cc1nc(C)c(F)c(NC2C[NH+](C(C)C)C2)n1 ZINC001168313169 964416689 /nfs/dbraw/zinc/41/66/89/964416689.db2.gz KWXJPTGODZEEJI-UHFFFAOYSA-N 1 2 238.310 1.737 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968413 965444694 /nfs/dbraw/zinc/44/46/94/965444694.db2.gz ABHULSCAKHPJNM-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968413 965444705 /nfs/dbraw/zinc/44/47/05/965444705.db2.gz ABHULSCAKHPJNM-VIFPVBQESA-N 1 2 243.253 1.627 20 0 BDADLO Cc1cnsc1C[NH+]1CC2(COC2)C1 ZINC001233318226 965486394 /nfs/dbraw/zinc/48/63/94/965486394.db2.gz VWLGSUGZEJCHBP-UHFFFAOYSA-N 1 2 210.302 1.284 20 0 BDADLO CCc1[nH]c(CNc2ncc(C)cn2)c[nH+]1 ZINC001164243378 965810169 /nfs/dbraw/zinc/81/01/69/965810169.db2.gz LTAXLOCBQMKAAL-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO CCc1[nH]cc(CNc2ncc(C)cn2)[nH+]1 ZINC001164243378 965810171 /nfs/dbraw/zinc/81/01/71/965810171.db2.gz LTAXLOCBQMKAAL-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO C[C@H]1CC[C@@H](CO)N1c1cc(N)cc(Cl)[nH+]1 ZINC001164305137 965839604 /nfs/dbraw/zinc/83/96/04/965839604.db2.gz WJUMDOIYZALFHQ-CBAPKCEASA-N 1 2 241.722 1.667 20 0 BDADLO O=C(NCc1c[nH+]cn1C1CCC1)C(F)F ZINC001142792142 966535150 /nfs/dbraw/zinc/53/51/50/966535150.db2.gz KNATXUJDEWHYCQ-UHFFFAOYSA-N 1 2 229.230 1.489 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001203205951 966548584 /nfs/dbraw/zinc/54/85/84/966548584.db2.gz KCZXYXXTQZHMKT-KOLCDFICSA-N 1 2 206.293 1.569 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001203205951 966548597 /nfs/dbraw/zinc/54/85/97/966548597.db2.gz KCZXYXXTQZHMKT-KOLCDFICSA-N 1 2 206.293 1.569 20 0 BDADLO Cc1cccc(C[N@@H+]2CCCC(=O)CC2)n1 ZINC001204067186 966874860 /nfs/dbraw/zinc/87/48/60/966874860.db2.gz MWSUBOVDYCDXSS-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO Cc1cccc(C[N@H+]2CCCC(=O)CC2)n1 ZINC001204067186 966874861 /nfs/dbraw/zinc/87/48/61/966874861.db2.gz MWSUBOVDYCDXSS-UHFFFAOYSA-N 1 2 218.300 1.945 20 0 BDADLO C[N@@H+](Cc1cc(F)cc(F)c1)C1COC1 ZINC001204234850 966938301 /nfs/dbraw/zinc/93/83/01/966938301.db2.gz YTLAEFSFZSWNAE-UHFFFAOYSA-N 1 2 213.227 1.795 20 0 BDADLO CC[C@H](C)c1cnn(CC[NH+]2CCOCC2)c1 ZINC001249861506 967100952 /nfs/dbraw/zinc/10/09/52/967100952.db2.gz RJCINZWNUNDZCB-LBPRGKRZSA-N 1 2 237.347 1.729 20 0 BDADLO Cn1cc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cn1 ZINC001204978334 967271250 /nfs/dbraw/zinc/27/12/50/967271250.db2.gz AAGNVQYXEUPCBF-QWRGUYRKSA-N 1 2 229.274 1.692 20 0 BDADLO Cn1ccnc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001205137877 967381289 /nfs/dbraw/zinc/38/12/89/967381289.db2.gz BXZBQFRZLUQJNU-GFCCVEGCSA-N 1 2 221.304 1.175 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@H](C)C2)co1 ZINC001206041555 968001395 /nfs/dbraw/zinc/00/13/95/968001395.db2.gz RNKMGFXXZXGJBX-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@H](C)C2)co1 ZINC001206041555 968001403 /nfs/dbraw/zinc/00/14/03/968001403.db2.gz RNKMGFXXZXGJBX-VIFPVBQESA-N 1 2 210.277 1.451 20 0 BDADLO C[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCCC1=O ZINC001250964243 968228510 /nfs/dbraw/zinc/22/85/10/968228510.db2.gz HIBSYVZWXIMXHM-IONNQARKSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCCC1=O ZINC001250964243 968228521 /nfs/dbraw/zinc/22/85/21/968228521.db2.gz HIBSYVZWXIMXHM-IONNQARKSA-N 1 2 239.237 1.211 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ncccc2F)CC[C@@H]1F ZINC001207026749 968561780 /nfs/dbraw/zinc/56/17/80/968561780.db2.gz OCZOSBIOXROLGG-GXSJLCMTSA-N 1 2 228.242 1.125 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ncccc2F)CC[C@@H]1F ZINC001207026749 968561786 /nfs/dbraw/zinc/56/17/86/968561786.db2.gz OCZOSBIOXROLGG-GXSJLCMTSA-N 1 2 228.242 1.125 20 0 BDADLO Cc1ncc(C[N@H+]2CCCC23COC3)s1 ZINC001207061209 968591495 /nfs/dbraw/zinc/59/14/95/968591495.db2.gz IILNTEXNBZCCOF-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO C[C@H](O)c1cc[nH+]c(NCC(C)(C)O)c1 ZINC001252351573 968632136 /nfs/dbraw/zinc/63/21/36/968632136.db2.gz VGPPAUYJLPEJHS-QMMMGPOBSA-N 1 2 210.277 1.318 20 0 BDADLO CCOC(=O)C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001207413392 968755194 /nfs/dbraw/zinc/75/51/94/968755194.db2.gz QRHYSHPBXGTRAQ-QWRGUYRKSA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001207413392 968755197 /nfs/dbraw/zinc/75/51/97/968755197.db2.gz QRHYSHPBXGTRAQ-QWRGUYRKSA-N 1 2 227.304 1.050 20 0 BDADLO CCOC(=O)C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001207408752 968757601 /nfs/dbraw/zinc/75/76/01/968757601.db2.gz AHEXQNZOWCHMCR-SFYZADRCSA-N 1 2 219.231 1.137 20 0 BDADLO CCOC(=O)C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001207408752 968757615 /nfs/dbraw/zinc/75/76/15/968757615.db2.gz AHEXQNZOWCHMCR-SFYZADRCSA-N 1 2 219.231 1.137 20 0 BDADLO CC(C)(C)C(=[NH2+])Nc1ncccc1C(N)=O ZINC001155176273 968913757 /nfs/dbraw/zinc/91/37/57/968913757.db2.gz WWISVHOSALSHIG-UHFFFAOYSA-N 1 2 220.276 1.616 20 0 BDADLO CC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCOCC1 ZINC001207969378 968969851 /nfs/dbraw/zinc/96/98/51/968969851.db2.gz HHNAGCNRBIZXLW-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO CC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CCOCC1 ZINC001207969378 968969862 /nfs/dbraw/zinc/96/98/62/968969862.db2.gz HHNAGCNRBIZXLW-SNVBAGLBSA-N 1 2 249.301 1.505 20 0 BDADLO CS[C@@H](C)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001208140951 969058448 /nfs/dbraw/zinc/05/84/48/969058448.db2.gz WYOVEVFKKYVIOB-IUCAKERBSA-N 1 2 239.331 1.830 20 0 BDADLO CS[C@@H](C)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC001208140951 969058459 /nfs/dbraw/zinc/05/84/59/969058459.db2.gz WYOVEVFKKYVIOB-IUCAKERBSA-N 1 2 239.331 1.830 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@H](O)COC(C)(C)C ZINC001253445894 969177999 /nfs/dbraw/zinc/17/79/99/969177999.db2.gz HWLYQCOBPPCXFB-VIFPVBQESA-N 1 2 227.308 1.306 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001208709596 969199998 /nfs/dbraw/zinc/19/99/98/969199998.db2.gz BHKKBWCQNOWKAX-SFYZADRCSA-N 1 2 239.237 1.475 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001208709596 969200000 /nfs/dbraw/zinc/20/00/00/969200000.db2.gz BHKKBWCQNOWKAX-SFYZADRCSA-N 1 2 239.237 1.475 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@H](C)C(F)(F)F)C[C@@H]1F ZINC001208896041 969283898 /nfs/dbraw/zinc/28/38/98/969283898.db2.gz PRYFBQKXPDXKKY-BIIVOSGPSA-N 1 2 229.217 1.854 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@H](C)C(F)(F)F)C[C@@H]1F ZINC001208896041 969283905 /nfs/dbraw/zinc/28/39/05/969283905.db2.gz PRYFBQKXPDXKKY-BIIVOSGPSA-N 1 2 229.217 1.854 20 0 BDADLO COCOCCC[N@H+]1CCc2oc(C)nc2C1 ZINC001209033528 969326343 /nfs/dbraw/zinc/32/63/43/969326343.db2.gz PPLPKLDPBLLZRL-UHFFFAOYSA-N 1 2 240.303 1.352 20 0 BDADLO CCCCOC(=O)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC001253742030 969362188 /nfs/dbraw/zinc/36/21/88/969362188.db2.gz SWWRIDWIIVPXQO-WDEREUQCSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@@H]1C[C@@H](C[NH+]2CC(F)C2)C[C@H](C)O1 ZINC001209380127 969452173 /nfs/dbraw/zinc/45/21/73/969452173.db2.gz VSXKFUYUYNVEOB-ILWJIGKKSA-N 1 2 201.285 1.844 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)C2(C)C)[nH]1 ZINC001209572030 969554241 /nfs/dbraw/zinc/55/42/41/969554241.db2.gz AYYBMWYLEYIJTA-UHFFFAOYSA-N 1 2 221.304 1.034 20 0 BDADLO COC1CCC([NH+]2CC(C)(F)C2)CC1 ZINC001255456749 970185802 /nfs/dbraw/zinc/18/58/02/970185802.db2.gz IFORFFXMGIAOQE-UHFFFAOYSA-N 1 2 201.285 1.988 20 0 BDADLO C[C@@H](CC(F)(F)F)[NH+]1CCN(C(N)=O)CC1 ZINC001255658664 970437481 /nfs/dbraw/zinc/43/74/81/970437481.db2.gz UERBCZBMVDADLD-ZETCQYMHSA-N 1 2 239.241 1.024 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)F)o1 ZINC001332366355 975074592 /nfs/dbraw/zinc/07/45/92/975074592.db2.gz XJAANONELOTFCJ-MLUIRONXSA-N 1 2 235.234 1.045 20 0 BDADLO COC(=O)[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227259486 975336586 /nfs/dbraw/zinc/33/65/86/975336586.db2.gz IWWXANJRBIXKGA-SECBINFHSA-N 1 2 209.245 1.639 20 0 BDADLO Cc1cc(F)cc(N(C)CC(=O)N(C)C)[nH+]1 ZINC001336436956 977686749 /nfs/dbraw/zinc/68/67/49/977686749.db2.gz PAKFEXNZLJEPEQ-UHFFFAOYSA-N 1 2 225.267 1.054 20 0 BDADLO CC[C@@H](F)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001336572895 977786282 /nfs/dbraw/zinc/78/62/82/977786282.db2.gz ZYCSZOVOUYYGSG-SFYZADRCSA-N 1 2 211.240 1.192 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncc(O)c2)C[C@@H]1F ZINC001232038447 977862918 /nfs/dbraw/zinc/86/29/18/977862918.db2.gz FGYHQWBQIJEHSF-KCJUWKMLSA-N 1 2 210.252 1.577 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncc(O)c2)C[C@@H]1F ZINC001232038447 977862920 /nfs/dbraw/zinc/86/29/20/977862920.db2.gz FGYHQWBQIJEHSF-KCJUWKMLSA-N 1 2 210.252 1.577 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc2ncccc2[nH]1 ZINC001232061905 977873381 /nfs/dbraw/zinc/87/33/81/977873381.db2.gz RCPMMBVEVZDGLQ-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO COC(=O)C1C[NH+](Cc2ccc(C)nc2C)C1 ZINC001232081747 977884998 /nfs/dbraw/zinc/88/49/98/977884998.db2.gz FKPAGSOSDALCCZ-UHFFFAOYSA-N 1 2 234.299 1.303 20 0 BDADLO CC(C)[C@H]1COCC[N@@H+]1Cc1cnsc1 ZINC001232230420 977962686 /nfs/dbraw/zinc/96/26/86/977962686.db2.gz IYYGZOGZEYVXGI-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO CC(C)[C@H]1COCC[N@H+]1Cc1cnsc1 ZINC001232230420 977962696 /nfs/dbraw/zinc/96/26/96/977962696.db2.gz IYYGZOGZEYVXGI-LLVKDONJSA-N 1 2 226.345 2.000 20 0 BDADLO Cc1[nH]cc(CN2CC(OC(C)C)C2)[nH+]1 ZINC001232465410 978077372 /nfs/dbraw/zinc/07/73/72/978077372.db2.gz LVDREIKFZCPXQK-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]c(CN2C[C@H](CO)CC(F)(F)C2)c[nH+]1 ZINC001232460716 978101594 /nfs/dbraw/zinc/10/15/94/978101594.db2.gz UNXOSCZPZRHINO-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO Cc1[nH]cc(CN2C[C@H](CO)CC(F)(F)C2)[nH+]1 ZINC001232460716 978101599 /nfs/dbraw/zinc/10/15/99/978101599.db2.gz UNXOSCZPZRHINO-SECBINFHSA-N 1 2 245.273 1.168 20 0 BDADLO CCOC(=O)CN(Cc1c[nH+]c(C)[nH]1)C1CC1 ZINC001232466278 978119383 /nfs/dbraw/zinc/11/93/83/978119383.db2.gz WZJUJXXWMLWELZ-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO CCOC(=O)CN(Cc1c[nH]c(C)[nH+]1)C1CC1 ZINC001232466278 978119391 /nfs/dbraw/zinc/11/93/91/978119391.db2.gz WZJUJXXWMLWELZ-UHFFFAOYSA-N 1 2 237.303 1.246 20 0 BDADLO CCc1[nH]c(CNC(=O)C(C)(C)OC)c[nH+]1 ZINC001597250796 978304748 /nfs/dbraw/zinc/30/47/48/978304748.db2.gz KUTAJLSQJQXUNF-UHFFFAOYSA-N 1 2 225.292 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)C(C)(C)OC)[nH+]1 ZINC001597250796 978304765 /nfs/dbraw/zinc/30/47/65/978304765.db2.gz KUTAJLSQJQXUNF-UHFFFAOYSA-N 1 2 225.292 1.013 20 0 BDADLO CCCCN(CC(N)=O)c1cc(F)cc(C)[nH+]1 ZINC001337809982 978508460 /nfs/dbraw/zinc/50/84/60/978508460.db2.gz RTUIDXANZBOLFB-UHFFFAOYSA-N 1 2 239.294 1.621 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001233317885 978547571 /nfs/dbraw/zinc/54/75/71/978547571.db2.gz IGIWJIGGKDHJNS-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001233317885 978547575 /nfs/dbraw/zinc/54/75/75/978547575.db2.gz IGIWJIGGKDHJNS-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO COc1cc(F)c(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC001233340834 978567143 /nfs/dbraw/zinc/56/71/43/978567143.db2.gz RZEMBHFTNHAHBV-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO COc1cc(F)c(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC001233340834 978567149 /nfs/dbraw/zinc/56/71/49/978567149.db2.gz RZEMBHFTNHAHBV-SECBINFHSA-N 1 2 243.253 1.540 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@H]2C(C)C)o1 ZINC001233367344 978580092 /nfs/dbraw/zinc/58/00/92/978580092.db2.gz AVTYOGFJOZSBCH-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@H]2C(C)C)o1 ZINC001233367344 978580100 /nfs/dbraw/zinc/58/01/00/978580100.db2.gz AVTYOGFJOZSBCH-LBPRGKRZSA-N 1 2 224.304 1.840 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cncc(Cl)n1 ZINC001233446653 978601919 /nfs/dbraw/zinc/60/19/19/978601919.db2.gz DAALAHGKLDOHJQ-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cncc(Cl)n1 ZINC001233446653 978601923 /nfs/dbraw/zinc/60/19/23/978601923.db2.gz DAALAHGKLDOHJQ-VXNVDRBHSA-N 1 2 227.695 1.085 20 0 BDADLO Clc1cncc(C[N@@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001233447144 978606599 /nfs/dbraw/zinc/60/65/99/978606599.db2.gz VTKRTNVYJLDGLQ-NXEZZACHSA-N 1 2 239.706 1.493 20 0 BDADLO Clc1cncc(C[N@H+]2CC[C@H]3OCC[C@H]32)n1 ZINC001233447144 978606604 /nfs/dbraw/zinc/60/66/04/978606604.db2.gz VTKRTNVYJLDGLQ-NXEZZACHSA-N 1 2 239.706 1.493 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC(F)F ZINC001340130708 978975391 /nfs/dbraw/zinc/97/53/91/978975391.db2.gz DWVFUOCGXKGEOT-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC(F)F ZINC001340130708 978975393 /nfs/dbraw/zinc/97/53/93/978975393.db2.gz DWVFUOCGXKGEOT-QMMMGPOBSA-N 1 2 245.273 1.750 20 0 BDADLO Cc1[nH+]cn(C)c1CN1Cc2ncsc2C1 ZINC001235555775 979098355 /nfs/dbraw/zinc/09/83/55/979098355.db2.gz LXAFUFWLUMEZBJ-UHFFFAOYSA-N 1 2 234.328 1.701 20 0 BDADLO COC/C(C)=C\C[NH2+][C@H](C)c1nc(C)no1 ZINC001341058522 979213476 /nfs/dbraw/zinc/21/34/76/979213476.db2.gz BQXFKAJWAOAGNV-BZJXQOFCSA-N 1 2 225.292 1.621 20 0 BDADLO O=C(CC(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001182964939 979682839 /nfs/dbraw/zinc/68/28/39/979682839.db2.gz WLLIOBXHIGHABH-UHFFFAOYSA-N 1 2 243.257 1.771 20 0 BDADLO O=C(CC(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001182964938 979684252 /nfs/dbraw/zinc/68/42/52/979684252.db2.gz WKFWIBPGCGBXBX-QMMMGPOBSA-N 1 2 243.257 1.771 20 0 BDADLO OCCCN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237045352 979808481 /nfs/dbraw/zinc/80/84/81/979808481.db2.gz ZIMHAWIUNCMXMW-LLVKDONJSA-N 1 2 248.317 1.174 20 0 BDADLO CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001605448070 979877336 /nfs/dbraw/zinc/87/73/36/979877336.db2.gz QPQAXUGYQIRGGF-USWWRNFRSA-N 1 2 240.347 1.170 20 0 BDADLO CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC001605448070 979877341 /nfs/dbraw/zinc/87/73/41/979877341.db2.gz QPQAXUGYQIRGGF-USWWRNFRSA-N 1 2 240.347 1.170 20 0 BDADLO CCn1c[nH+]cc1CN1CCC[C@@H](F)C(=O)C1 ZINC001237588749 979947929 /nfs/dbraw/zinc/94/79/29/979947929.db2.gz WDDIDEBTADHVTO-LLVKDONJSA-N 1 2 239.294 1.406 20 0 BDADLO Cc1coc(C[N@H+](C)C[C@@H]2CCCCO2)n1 ZINC001237644546 979993179 /nfs/dbraw/zinc/99/31/79/979993179.db2.gz DZCLJDMWPFPSNM-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO Cc1coc(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC001237644546 979993186 /nfs/dbraw/zinc/99/31/86/979993186.db2.gz DZCLJDMWPFPSNM-NSHDSACASA-N 1 2 224.304 1.984 20 0 BDADLO COc1ccoc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001237871209 980104085 /nfs/dbraw/zinc/10/40/85/980104085.db2.gz VKOWWGSIRIDUPJ-LBPRGKRZSA-N 1 2 223.272 1.653 20 0 BDADLO COc1ccoc1C[N@H+]1CC[C@@]12CCOC2 ZINC001237871209 980104092 /nfs/dbraw/zinc/10/40/92/980104092.db2.gz VKOWWGSIRIDUPJ-LBPRGKRZSA-N 1 2 223.272 1.653 20 0 BDADLO C[C@H]1C[N@H+](Cc2c(F)ccnc2Cl)C[C@@H]1O ZINC001238223603 980230593 /nfs/dbraw/zinc/23/05/93/980230593.db2.gz BAHDTTCJTSNRNS-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c(F)ccnc2Cl)C[C@@H]1O ZINC001238223603 980230606 /nfs/dbraw/zinc/23/06/06/980230606.db2.gz BAHDTTCJTSNRNS-XVKPBYJWSA-N 1 2 244.697 1.687 20 0 BDADLO OCc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250316645 980755631 /nfs/dbraw/zinc/75/56/31/980755631.db2.gz QOZRATAOGXGJLD-UHFFFAOYSA-N 1 2 202.257 1.618 20 0 BDADLO CCNc1cc(CNC(=O)NCCF)cc[nH+]1 ZINC001346202261 980781675 /nfs/dbraw/zinc/78/16/75/980781675.db2.gz IQEXXKZRBCHFGD-UHFFFAOYSA-N 1 2 240.282 1.282 20 0 BDADLO CCc1cn(CC(=O)c2cscn2)c[nH+]1 ZINC001190096091 980845537 /nfs/dbraw/zinc/84/55/37/980845537.db2.gz HOVAZHOXLMJINY-UHFFFAOYSA-N 1 2 221.285 1.785 20 0 BDADLO CCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001347291486 981036647 /nfs/dbraw/zinc/03/66/47/981036647.db2.gz XCBUHEDOLPJLAK-SNVBAGLBSA-N 1 2 223.320 1.658 20 0 BDADLO CCC(C)(C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001347372458 981060312 /nfs/dbraw/zinc/06/03/12/981060312.db2.gz GWLUJIVAPKJSCC-UHFFFAOYSA-N 1 2 237.347 2.000 20 0 BDADLO Cc1cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)n[nH]1 ZINC001347451457 981080964 /nfs/dbraw/zinc/08/09/64/981080964.db2.gz UCJMKVVVTAQLRF-IUCAKERBSA-N 1 2 223.320 1.167 20 0 BDADLO C[C@H]([NH2+]Cc1cnon1)c1cccs1 ZINC001193437334 981318447 /nfs/dbraw/zinc/31/84/47/981318447.db2.gz DNUAECLFFIHOME-ZETCQYMHSA-N 1 2 209.274 1.982 20 0 BDADLO CCCCCOC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001193775394 981431811 /nfs/dbraw/zinc/43/18/11/981431811.db2.gz RBXBEVIZUMPCSD-LLVKDONJSA-N 1 2 244.335 1.233 20 0 BDADLO CCCCCOC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001193775394 981431814 /nfs/dbraw/zinc/43/18/14/981431814.db2.gz RBXBEVIZUMPCSD-LLVKDONJSA-N 1 2 244.335 1.233 20 0 BDADLO C[N@@H+]1CCO[C@@H](CNC(=O)OCC(C)(C)C)C1 ZINC001194401735 981797920 /nfs/dbraw/zinc/79/79/20/981797920.db2.gz PYZKXXSROLNXHM-JTQLQIEISA-N 1 2 244.335 1.089 20 0 BDADLO C[N@H+]1CCO[C@@H](CNC(=O)OCC(C)(C)C)C1 ZINC001194401735 981797937 /nfs/dbraw/zinc/79/79/37/981797937.db2.gz PYZKXXSROLNXHM-JTQLQIEISA-N 1 2 244.335 1.089 20 0 BDADLO CCOC(=O)C[C@H](C)Nc1cc[nH+]c(CC)n1 ZINC001349996286 981839549 /nfs/dbraw/zinc/83/95/49/981839549.db2.gz XKKAZEQHZLXXGI-VIFPVBQESA-N 1 2 237.303 1.793 20 0 BDADLO CCOC(=O)[C@@H](CCCC(C)C)[NH2+]CCCO ZINC001197631247 982580449 /nfs/dbraw/zinc/58/04/49/982580449.db2.gz YHXIQOSVNIBWPP-GFCCVEGCSA-N 1 2 245.363 1.716 20 0 BDADLO CC(C)(C)C[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201433014 983228800 /nfs/dbraw/zinc/22/88/00/983228800.db2.gz PQDSXRKVMBOXMQ-VIFPVBQESA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)(C)C[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201433014 983228806 /nfs/dbraw/zinc/22/88/06/983228806.db2.gz PQDSXRKVMBOXMQ-VIFPVBQESA-N 1 2 221.291 1.982 20 0 BDADLO CCC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001252803091 983897239 /nfs/dbraw/zinc/89/72/39/983897239.db2.gz NGRFCUPPWODQKU-MNOVXSKESA-N 1 2 245.363 1.857 20 0 BDADLO F[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1F ZINC001202610889 984126105 /nfs/dbraw/zinc/12/61/05/984126105.db2.gz DOGHJGAIUUQNHM-GHMZBOCLSA-N 1 2 219.275 1.795 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H](C)CCOCC ZINC001172422535 974696470 /nfs/dbraw/zinc/69/64/70/974696470.db2.gz UPJBTPOWJXSGQK-JTQLQIEISA-N 1 2 217.309 1.344 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc[nH]n1 ZINC001327547016 972623879 /nfs/dbraw/zinc/62/38/79/972623879.db2.gz RECXOYQEEGGJPY-GMTAPVOTSA-N 1 2 220.320 1.958 20 0 BDADLO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc[nH]n1 ZINC001327547016 972623887 /nfs/dbraw/zinc/62/38/87/972623887.db2.gz RECXOYQEEGGJPY-GMTAPVOTSA-N 1 2 220.320 1.958 20 0 BDADLO Cn1c2ccc(-c3ccc[nH+]c3N)cc2oc1=O ZINC001243473679 970767027 /nfs/dbraw/zinc/76/70/27/970767027.db2.gz FCAVVALNVFUXOY-UHFFFAOYSA-N 1 2 241.250 1.776 20 0 BDADLO O=C(CCC(F)F)N[C@@H]1CCn2c[nH+]cc21 ZINC001328726985 973315289 /nfs/dbraw/zinc/31/52/89/973315289.db2.gz UFRFUWQGOYWPIC-SSDOTTSWSA-N 1 2 229.230 1.489 20 0 BDADLO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nnc[nH]1 ZINC001328900794 973389481 /nfs/dbraw/zinc/38/94/81/973389481.db2.gz IONFIYLAMLAZNQ-ONGXEEELSA-N 1 2 206.293 1.569 20 0 BDADLO C[C@]12CCCC[C@H]1C[N@H+]2Cc1nnc[nH]1 ZINC001328900794 973389485 /nfs/dbraw/zinc/38/94/85/973389485.db2.gz IONFIYLAMLAZNQ-ONGXEEELSA-N 1 2 206.293 1.569 20 0 BDADLO CN1Cc2cccc(-c3ccc[nH+]c3N)c2C1=O ZINC001243475360 970768601 /nfs/dbraw/zinc/76/86/01/970768601.db2.gz WTMPGWZWXGRKOL-UHFFFAOYSA-N 1 2 239.278 1.916 20 0 BDADLO Oc1c(F)cc(F)cc1-c1cc2c(nn1)C[NH2+]C2 ZINC001243502964 970779124 /nfs/dbraw/zinc/77/91/24/970779124.db2.gz FJOGCZDQTMZBPB-UHFFFAOYSA-N 1 2 249.220 1.731 20 0 BDADLO COC(C)(CNc1cc[nH+]c(C)n1)OC ZINC001170437288 970821307 /nfs/dbraw/zinc/82/13/07/970821307.db2.gz HQNPQZGFYHYNQG-UHFFFAOYSA-N 1 2 211.265 1.206 20 0 BDADLO CSCCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001256534112 970860748 /nfs/dbraw/zinc/86/07/48/970860748.db2.gz VTBFPKQNFMIKAU-SNVBAGLBSA-N 1 2 241.360 1.656 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc([C@@H]2C[N@H+](C)CCN2C)o1 ZINC001256699022 970929104 /nfs/dbraw/zinc/92/91/04/970929104.db2.gz IMEOHIDALUIPEH-BBBLOLIVSA-N 1 2 236.319 1.111 20 0 BDADLO C[C@@H]1C[C@H]1c1nnc([C@@H]2C[N@@H+](C)CCN2C)o1 ZINC001256699022 970929110 /nfs/dbraw/zinc/92/91/10/970929110.db2.gz IMEOHIDALUIPEH-BBBLOLIVSA-N 1 2 236.319 1.111 20 0 BDADLO OCC1(O)CC[NH+](CC=C(Cl)Cl)CC1 ZINC000403783019 971062340 /nfs/dbraw/zinc/06/23/40/971062340.db2.gz YIHURIDTDUSZQC-UHFFFAOYSA-N 1 2 240.130 1.125 20 0 BDADLO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC(=O)CC2)C1 ZINC001257053428 971077524 /nfs/dbraw/zinc/07/75/24/971077524.db2.gz WZYCUQJTYDGZCN-WDEREUQCSA-N 1 2 239.315 1.383 20 0 BDADLO Nc1ccc(C[N@@H+]2CCC=C(Cl)C2)cn1 ZINC000404395315 971160063 /nfs/dbraw/zinc/16/00/63/971160063.db2.gz BPBNKBAJEPSSFB-UHFFFAOYSA-N 1 2 223.707 1.823 20 0 BDADLO Nc1ccc(C[N@H+]2CCC=C(Cl)C2)cn1 ZINC000404395315 971160071 /nfs/dbraw/zinc/16/00/71/971160071.db2.gz BPBNKBAJEPSSFB-UHFFFAOYSA-N 1 2 223.707 1.823 20 0 BDADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC=C(Cl)C1 ZINC000404424759 971160661 /nfs/dbraw/zinc/16/06/61/971160661.db2.gz LOIAKRIOQXEKQC-SNVBAGLBSA-N 1 2 247.722 1.129 20 0 BDADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCC=C(Cl)C1 ZINC000404424759 971160668 /nfs/dbraw/zinc/16/06/68/971160668.db2.gz LOIAKRIOQXEKQC-SNVBAGLBSA-N 1 2 247.722 1.129 20 0 BDADLO CCC[C@H](C)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001257307789 971197545 /nfs/dbraw/zinc/19/75/45/971197545.db2.gz UXMGSKVAHXHJIQ-UWVGGRQHSA-N 1 2 245.319 1.259 20 0 BDADLO CCC[C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)O ZINC001257308623 971198784 /nfs/dbraw/zinc/19/87/84/971198784.db2.gz AWRJFLITCQPBRS-MXWKQRLJSA-N 1 2 245.363 1.856 20 0 BDADLO CCC[C@@H](C)[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257326790 971229261 /nfs/dbraw/zinc/22/92/61/971229261.db2.gz CREKMSKDGNGGSQ-GFCCVEGCSA-N 1 2 247.342 1.919 20 0 BDADLO CCC[C@@H](C)[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001257326790 971229265 /nfs/dbraw/zinc/22/92/65/971229265.db2.gz CREKMSKDGNGGSQ-GFCCVEGCSA-N 1 2 247.342 1.919 20 0 BDADLO CCCC(CCC)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001257330373 971236816 /nfs/dbraw/zinc/23/68/16/971236816.db2.gz KRDSJRWQVDJLMM-ZYHUDNBSSA-N 1 2 245.363 1.857 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000308766770 971296142 /nfs/dbraw/zinc/29/61/42/971296142.db2.gz SEJWJUBNWPJROH-YUSALJHKSA-N 1 2 241.331 1.341 20 0 BDADLO CCCC1(c2nnc(C[NH+](C)C)o2)CC1 ZINC001327303849 972535268 /nfs/dbraw/zinc/53/52/68/972535268.db2.gz GRUDRLRYYRUBOA-UHFFFAOYSA-N 1 2 209.293 1.963 20 0 BDADLO O[C@@H]1CC[NH2+][C@@H](c2nnc(C3CCC3)o2)C1 ZINC001217696321 971329223 /nfs/dbraw/zinc/32/92/23/971329223.db2.gz NRAJDQWOEMNWLZ-RKDXNWHRSA-N 1 2 223.276 1.123 20 0 BDADLO CC(C)CCc1nnc([C@H]2C[C@@H](O)CC[NH2+]2)o1 ZINC001217696900 971336370 /nfs/dbraw/zinc/33/63/70/971336370.db2.gz SIRCDHAXEMAXJT-VHSXEESVSA-N 1 2 239.319 1.444 20 0 BDADLO CCOc1ccc(-c2nnc([C@@H]([NH3+])CO)o2)cc1 ZINC001217698614 971335445 /nfs/dbraw/zinc/33/54/45/971335445.db2.gz JTPNDRYPFHXFHC-JTQLQIEISA-N 1 2 249.270 1.127 20 0 BDADLO Cc1nnc([C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)o1 ZINC001217705712 971342970 /nfs/dbraw/zinc/34/29/70/971342970.db2.gz JCOWKKGFFDZCMP-RNFRBKRXSA-N 1 2 235.209 1.981 20 0 BDADLO CCCCC[C@H](C)[NH2+]Cc1noc(C(N)=O)n1 ZINC001257501812 971413914 /nfs/dbraw/zinc/41/39/14/971413914.db2.gz DYVOKCPOEPJZFV-QMMMGPOBSA-N 1 2 240.307 1.227 20 0 BDADLO C=CC(=O)NCCNc1cc2ccccc2c[nH+]1 ZINC001158832623 971490648 /nfs/dbraw/zinc/49/06/48/971490648.db2.gz YGMOXCADOUAUIV-UHFFFAOYSA-N 1 2 241.294 1.949 20 0 BDADLO COC(=O)C1CCC([N@@H+]2CCCC(=O)C2)CC1 ZINC001257866200 971508660 /nfs/dbraw/zinc/50/86/60/971508660.db2.gz KHDRZWDEFSWHPM-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO COC(=O)C1CCC([N@H+]2CCCC(=O)C2)CC1 ZINC001257866200 971508664 /nfs/dbraw/zinc/50/86/64/971508664.db2.gz KHDRZWDEFSWHPM-UHFFFAOYSA-N 1 2 239.315 1.383 20 0 BDADLO O=C([O-])c1ccc[nH+]c1NCCC[NH2+]C1CC1 ZINC000042430734 948873869 /nfs/dbraw/zinc/87/38/69/948873869.db2.gz XMYKXLDIKVGVHU-UHFFFAOYSA-N 1 2 235.287 1.334 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)c1cccnc1 ZINC001133453553 971542803 /nfs/dbraw/zinc/54/28/03/971542803.db2.gz UVGHAUFGFVVIIL-UHFFFAOYSA-N 1 2 227.267 1.768 20 0 BDADLO Nc1ncccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005722 971570158 /nfs/dbraw/zinc/57/01/58/971570158.db2.gz HAUZZJRSGNLESN-QMMMGPOBSA-N 1 2 229.230 1.040 20 0 BDADLO Nc1cn2ccc(C3=CCCOC3)cc2[nH+]1 ZINC001245159421 971711982 /nfs/dbraw/zinc/71/19/82/971711982.db2.gz VPCGAXVTNQAWBC-UHFFFAOYSA-N 1 2 215.256 1.720 20 0 BDADLO Cc1nnc([C@@H](C)NCc2c[nH+]cn2C)s1 ZINC000309656363 971728477 /nfs/dbraw/zinc/72/84/77/971728477.db2.gz ZMBCTDLSXLPPTE-SSDOTTSWSA-N 1 2 237.332 1.431 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(C)(C)C ZINC001172269469 974485816 /nfs/dbraw/zinc/48/58/16/974485816.db2.gz DKRUTTVYCWHESY-VHSXEESVSA-N 1 2 243.347 1.731 20 0 BDADLO Nc1cn2ccc(-c3cnc(N)c(F)c3)cc2[nH+]1 ZINC001245520263 971843439 /nfs/dbraw/zinc/84/34/39/971843439.db2.gz BCDWNNNBPIGXBC-UHFFFAOYSA-N 1 2 243.245 1.700 20 0 BDADLO CCOC(=O)C[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172323963 974532849 /nfs/dbraw/zinc/53/28/49/974532849.db2.gz KLLVTLLREKPMJC-WDEREUQCSA-N 1 2 231.336 1.733 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)nc1 ZINC001135253474 971856702 /nfs/dbraw/zinc/85/67/02/971856702.db2.gz VGYBRIJMQJKFQN-SNVBAGLBSA-N 1 2 235.287 1.123 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)nc1 ZINC001135253474 971856703 /nfs/dbraw/zinc/85/67/03/971856703.db2.gz VGYBRIJMQJKFQN-SNVBAGLBSA-N 1 2 235.287 1.123 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccccc1F ZINC001135396360 971882363 /nfs/dbraw/zinc/88/23/63/971882363.db2.gz KYNHSHDEVXYHPJ-UHFFFAOYSA-N 1 2 219.219 1.730 20 0 BDADLO C=Cc1ccc(NC(=O)C2(F)C[NH2+]C2)cc1 ZINC001218842279 971954169 /nfs/dbraw/zinc/95/41/69/971954169.db2.gz ZDDCYYRBEXGXLY-UHFFFAOYSA-N 1 2 220.247 1.580 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)Cc1[nH]c[nH+]c1C ZINC001135734792 971969464 /nfs/dbraw/zinc/96/94/64/971969464.db2.gz IRCXRGJPRDSQLB-UHFFFAOYSA-N 1 2 247.302 1.250 20 0 BDADLO CCOc1ccccc1Cn1[nH]c(C[NH3+])cc1=O ZINC001245922319 972098979 /nfs/dbraw/zinc/09/89/79/972098979.db2.gz BZIMGTVVQDNNAB-UHFFFAOYSA-N 1 2 247.298 1.494 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1cnn[nH]1 ZINC000828153105 972155543 /nfs/dbraw/zinc/15/55/43/972155543.db2.gz GKEGOLSMESQDAP-UHFFFAOYSA-N 1 2 231.303 1.264 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1cnn[nH]1 ZINC000828153105 972155548 /nfs/dbraw/zinc/15/55/48/972155548.db2.gz GKEGOLSMESQDAP-UHFFFAOYSA-N 1 2 231.303 1.264 20 0 BDADLO CC[N@H+](CCc1ccccn1)Cc1c[nH]nn1 ZINC000828153105 972155553 /nfs/dbraw/zinc/15/55/53/972155553.db2.gz GKEGOLSMESQDAP-UHFFFAOYSA-N 1 2 231.303 1.264 20 0 BDADLO CC[N@@H+](CCc1ccccn1)Cc1c[nH]nn1 ZINC000828153105 972155561 /nfs/dbraw/zinc/15/55/61/972155561.db2.gz GKEGOLSMESQDAP-UHFFFAOYSA-N 1 2 231.303 1.264 20 0 BDADLO Cc1nnc(C[NH2+][C@@H]2COC(C)(C)C2)o1 ZINC000396456128 956870300 /nfs/dbraw/zinc/87/03/00/956870300.db2.gz HEMIACNESSVORD-QMMMGPOBSA-N 1 2 211.265 1.035 20 0 BDADLO COC(=O)[C@@H](C)C[N@@H+]1Cc2ccncc2C1 ZINC001208717406 957138278 /nfs/dbraw/zinc/13/82/78/957138278.db2.gz HAAIDNBRQRDGRH-VIFPVBQESA-N 1 2 220.272 1.206 20 0 BDADLO COC(=O)[C@@H](C)C[N@H+]1Cc2ccncc2C1 ZINC001208717406 957138283 /nfs/dbraw/zinc/13/82/83/957138283.db2.gz HAAIDNBRQRDGRH-VIFPVBQESA-N 1 2 220.272 1.206 20 0 BDADLO Cc1cnc(C)c(N=C2CC[NH+](C)CC2)n1 ZINC001208718939 957138992 /nfs/dbraw/zinc/13/89/92/957138992.db2.gz NIGHOFHLVMWHIH-UHFFFAOYSA-N 1 2 218.304 1.725 20 0 BDADLO CC(=O)N(C)C1C[NH+](C[C@H](C)C(F)(F)F)C1 ZINC001208894091 957213932 /nfs/dbraw/zinc/21/39/32/957213932.db2.gz OMCAJOXVWRUPEV-ZETCQYMHSA-N 1 2 238.253 1.347 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1F ZINC001204055954 972252100 /nfs/dbraw/zinc/25/21/00/972252100.db2.gz RIRUPWZVONTNJM-WDEREUQCSA-N 1 2 210.252 1.250 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1F ZINC001204055954 972252102 /nfs/dbraw/zinc/25/21/02/972252102.db2.gz RIRUPWZVONTNJM-WDEREUQCSA-N 1 2 210.252 1.250 20 0 BDADLO CCCCN1CC[NH+](CCCOCOC)CC1 ZINC001209028949 957286309 /nfs/dbraw/zinc/28/63/09/957286309.db2.gz FURFZRVWNHITLU-UHFFFAOYSA-N 1 2 244.379 1.415 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccccn2)C1 ZINC001204055527 972254249 /nfs/dbraw/zinc/25/42/49/972254249.db2.gz HOFSBCZWGUBYCL-GHMZBOCLSA-N 1 2 224.279 1.234 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2ccccn2)C1 ZINC001204055527 972254254 /nfs/dbraw/zinc/25/42/54/972254254.db2.gz HOFSBCZWGUBYCL-GHMZBOCLSA-N 1 2 224.279 1.234 20 0 BDADLO Clc1ncc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cn1 ZINC001139991407 957318139 /nfs/dbraw/zinc/31/81/39/957318139.db2.gz JAANUGMAORHKJO-VHSXEESVSA-N 1 2 239.706 1.351 20 0 BDADLO Clc1ncc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cn1 ZINC001139991407 957318157 /nfs/dbraw/zinc/31/81/57/957318157.db2.gz JAANUGMAORHKJO-VHSXEESVSA-N 1 2 239.706 1.351 20 0 BDADLO COCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209214100 957359495 /nfs/dbraw/zinc/35/94/95/957359495.db2.gz KZXFWZJXBQRCBJ-SNVBAGLBSA-N 1 2 237.290 1.363 20 0 BDADLO COCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209214100 957359508 /nfs/dbraw/zinc/35/95/08/957359508.db2.gz KZXFWZJXBQRCBJ-SNVBAGLBSA-N 1 2 237.290 1.363 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001209554358 957498079 /nfs/dbraw/zinc/49/80/79/957498079.db2.gz HDKQSUASBFFNRP-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001209554358 957498087 /nfs/dbraw/zinc/49/80/87/957498087.db2.gz HDKQSUASBFFNRP-LBPRGKRZSA-N 1 2 221.304 1.473 20 0 BDADLO CCN(C)c1cc(NCc2cncnc2)[nH+]cn1 ZINC001167256229 957594430 /nfs/dbraw/zinc/59/44/30/957594430.db2.gz KNRLNARLJQPQKE-UHFFFAOYSA-N 1 2 244.302 1.335 20 0 BDADLO CCN(C)c1cc(NCc2cncnc2)nc[nH+]1 ZINC001167256229 957594432 /nfs/dbraw/zinc/59/44/32/957594432.db2.gz KNRLNARLJQPQKE-UHFFFAOYSA-N 1 2 244.302 1.335 20 0 BDADLO Cc1[nH+]cc(Nc2c(N)cnn2C)cc1N ZINC001210286938 957715767 /nfs/dbraw/zinc/71/57/67/957715767.db2.gz GTLAYCFUOVGCDA-UHFFFAOYSA-N 1 2 218.264 1.032 20 0 BDADLO COC(=O)C[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC001136871883 972292116 /nfs/dbraw/zinc/29/21/16/972292116.db2.gz QKSFVMPGUBRYPG-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COC(=O)C[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC001136871883 972292122 /nfs/dbraw/zinc/29/21/22/972292122.db2.gz QKSFVMPGUBRYPG-SNVBAGLBSA-N 1 2 237.303 1.185 20 0 BDADLO COCCOc1cc(NC2CC(=O)C2)cc[nH+]1 ZINC001167344565 957822017 /nfs/dbraw/zinc/82/20/17/957822017.db2.gz RFBVKFJKQFAMOJ-UHFFFAOYSA-N 1 2 236.271 1.250 20 0 BDADLO Cc1cccn2c(CN3CCC(=O)C3)c[nH+]c12 ZINC001136964532 972305376 /nfs/dbraw/zinc/30/53/76/972305376.db2.gz YKSPPTQRLXRNGU-UHFFFAOYSA-N 1 2 229.283 1.418 20 0 BDADLO CCc1nccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001207083607 957950218 /nfs/dbraw/zinc/95/02/18/957950218.db2.gz DBHHLWADNAHOQG-ZMLRMANQSA-N 1 2 235.306 1.829 20 0 BDADLO CCc1nccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)n1 ZINC001207083607 957950225 /nfs/dbraw/zinc/95/02/25/957950225.db2.gz DBHHLWADNAHOQG-ZMLRMANQSA-N 1 2 235.306 1.829 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)oc1C ZINC001204536573 958007932 /nfs/dbraw/zinc/00/79/32/958007932.db2.gz KKFFYAGWPXTUMJ-WDEREUQCSA-N 1 2 213.252 1.411 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)oc1C ZINC001204536573 958007941 /nfs/dbraw/zinc/00/79/41/958007941.db2.gz KKFFYAGWPXTUMJ-WDEREUQCSA-N 1 2 213.252 1.411 20 0 BDADLO O=c1[nH]ccc2c1CC[N@H+](Cc1nccs1)C2 ZINC001204548681 958187547 /nfs/dbraw/zinc/18/75/47/958187547.db2.gz YZYCFKUDPJGTMY-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO O=c1[nH]ccc2c1CC[N@@H+](Cc1nccs1)C2 ZINC001204548681 958187556 /nfs/dbraw/zinc/18/75/56/958187556.db2.gz YZYCFKUDPJGTMY-UHFFFAOYSA-N 1 2 247.323 1.802 20 0 BDADLO CO[C@@H]1CCN(c2cc(N)nc[nH+]2)[C@H](C)C1 ZINC000300807569 958203813 /nfs/dbraw/zinc/20/38/13/958203813.db2.gz BPDVQQPFSWKONS-RKDXNWHRSA-N 1 2 222.292 1.063 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@]1(C)CCOC1 ZINC001347973741 958227480 /nfs/dbraw/zinc/22/74/80/958227480.db2.gz WKDXRUGPMDDPQA-LBPRGKRZSA-N 1 2 238.287 1.373 20 0 BDADLO F[C@@H]1CSC2(C[NH+](Cc3ccncn3)C2)C1 ZINC001140348247 958273849 /nfs/dbraw/zinc/27/38/49/958273849.db2.gz PBFDKHQEEYYGOR-VIFPVBQESA-N 1 2 239.319 1.506 20 0 BDADLO Cc1nc(N[C@@H](C)C2(C)CC2)nc(N)[nH+]1 ZINC000707022698 958336435 /nfs/dbraw/zinc/33/64/35/958336435.db2.gz NYMMTPKDAPLZHU-LURJTMIESA-N 1 2 207.281 1.363 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C)C2(C)CC2)[nH+]1 ZINC000707022698 958336454 /nfs/dbraw/zinc/33/64/54/958336454.db2.gz NYMMTPKDAPLZHU-LURJTMIESA-N 1 2 207.281 1.363 20 0 BDADLO Nc1ncc(C[NH+]2CC(C(F)F)C2)s1 ZINC000707156149 958390634 /nfs/dbraw/zinc/39/06/34/958390634.db2.gz PUABWMRVCOBTKP-UHFFFAOYSA-N 1 2 219.260 1.422 20 0 BDADLO CCC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000390583859 972347100 /nfs/dbraw/zinc/34/71/00/972347100.db2.gz XNHSEPAQDTXJFK-WDEREUQCSA-N 1 2 227.304 1.610 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1C[C@@H]1F ZINC001143430704 958807989 /nfs/dbraw/zinc/80/79/89/958807989.db2.gz WAFRXIMRVAFQKD-IUCAKERBSA-N 1 2 220.247 1.289 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@@H]1CCOC1 ZINC001167522158 958834086 /nfs/dbraw/zinc/83/40/86/958834086.db2.gz UBCLBSOGZCXBCE-BDAKNGLRSA-N 1 2 227.333 1.567 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001167522158 958834090 /nfs/dbraw/zinc/83/40/90/958834090.db2.gz UBCLBSOGZCXBCE-BDAKNGLRSA-N 1 2 227.333 1.567 20 0 BDADLO CCOC(=O)C[C@@H](C)OCCn1cc[nH+]c1 ZINC001222134650 972381861 /nfs/dbraw/zinc/38/18/61/972381861.db2.gz JCJLLPAZTJNLIW-SNVBAGLBSA-N 1 2 226.276 1.241 20 0 BDADLO F[C@@H]1COCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222139963 972386714 /nfs/dbraw/zinc/38/67/14/972386714.db2.gz ZFHVZXFRGQMKPC-ZJUUUORDSA-N 1 2 214.240 1.027 20 0 BDADLO CCOC(=O)[C@H]1C[C@@H](OCCn2cc[nH+]c2)C1 ZINC001222139781 972387245 /nfs/dbraw/zinc/38/72/45/972387245.db2.gz XETVNDQYAKVQSG-PHIMTYICSA-N 1 2 238.287 1.241 20 0 BDADLO CO[C@@H](C)CO[C@H](C)COCCn1cc[nH+]c1 ZINC001222138297 972387297 /nfs/dbraw/zinc/38/72/97/972387297.db2.gz DTBYGHXVZWOFIH-NWDGAFQWSA-N 1 2 242.319 1.340 20 0 BDADLO FC1(F)C[C@H](OCCn2cc[nH+]c2)C1(F)F ZINC001222139497 972389687 /nfs/dbraw/zinc/38/96/87/972389687.db2.gz UNLXFAMOHSFHPQ-ZETCQYMHSA-N 1 2 238.184 1.943 20 0 BDADLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccsc1 ZINC000309126788 958959416 /nfs/dbraw/zinc/95/94/16/958959416.db2.gz QAJVCSFOKSKCDE-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO Cc1cc(NC2=CCCOC2)nc(C)[nH+]1 ZINC001216505031 959001830 /nfs/dbraw/zinc/00/18/30/959001830.db2.gz XSSKDQHYTQQSNG-UHFFFAOYSA-N 1 2 205.261 1.810 20 0 BDADLO CC(C)[NH+]1CC(OCC(=O)c2cccc(O)c2)C1 ZINC001222212272 972405144 /nfs/dbraw/zinc/40/51/44/972405144.db2.gz XARCQMHWBWISGO-UHFFFAOYSA-N 1 2 249.310 1.684 20 0 BDADLO Cc1conc1CNc1[nH+]cnc2c1cnn2C ZINC000708346701 959356359 /nfs/dbraw/zinc/35/63/59/959356359.db2.gz RGDFZKWBCXITQV-UHFFFAOYSA-N 1 2 244.258 1.272 20 0 BDADLO C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1C ZINC000724750403 959366317 /nfs/dbraw/zinc/36/63/17/959366317.db2.gz DNNSEOTVBVLPDG-HLTSFMKQSA-N 1 2 234.290 1.616 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccnc(Cl)c1 ZINC000052709556 959832181 /nfs/dbraw/zinc/83/21/81/959832181.db2.gz PPSBTLSQSLEMRT-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccnc(Cl)c1 ZINC000052709556 959832172 /nfs/dbraw/zinc/83/21/72/959832172.db2.gz PPSBTLSQSLEMRT-UHFFFAOYSA-N 1 2 241.722 1.303 20 0 BDADLO Cc1cc(=O)[nH]c(O[C@@H]2C[NH2+]CC2(F)F)c1 ZINC001218231020 959907009 /nfs/dbraw/zinc/90/70/09/959907009.db2.gz HCMWXQZMCUCGES-SSDOTTSWSA-N 1 2 230.214 1.082 20 0 BDADLO c1ncc(CSCC[NH+]2CCOCC2)s1 ZINC001327158370 972468903 /nfs/dbraw/zinc/46/89/03/972468903.db2.gz QUNRWRRNKXZREZ-UHFFFAOYSA-N 1 2 244.385 1.709 20 0 BDADLO CC(C)CNC(=S)N[C@H](C)Cn1cc[nH+]c1 ZINC000136032171 959962112 /nfs/dbraw/zinc/96/21/12/959962112.db2.gz MHZTZSAQZMPJDH-SNVBAGLBSA-N 1 2 240.376 1.392 20 0 BDADLO C[NH+]1CCC([NH2+]Cc2cc(C(=O)[O-])co2)CC1 ZINC000228158697 959995883 /nfs/dbraw/zinc/99/58/83/959995883.db2.gz CHFRWFWGWHALND-UHFFFAOYSA-N 1 2 238.287 1.162 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000695140614 960114924 /nfs/dbraw/zinc/11/49/24/960114924.db2.gz ASFAQHBXPFORJY-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000695140614 960114929 /nfs/dbraw/zinc/11/49/29/960114929.db2.gz ASFAQHBXPFORJY-YUMQZZPRSA-N 1 2 239.237 1.822 20 0 BDADLO CCOCC[NH2+]C1(C(=O)OCC)CCCC1 ZINC000309974410 960159493 /nfs/dbraw/zinc/15/94/93/960159493.db2.gz RQABKVCFXBUKIJ-UHFFFAOYSA-N 1 2 229.320 1.488 20 0 BDADLO CCc1nc(N2CC[C@H](C(=O)OC)[C@H]2C)cc[nH+]1 ZINC001353277680 960210656 /nfs/dbraw/zinc/21/06/56/960210656.db2.gz KAZSVHIBTJPQPK-ZJUUUORDSA-N 1 2 249.314 1.427 20 0 BDADLO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ncon2)c1 ZINC001353341259 960263888 /nfs/dbraw/zinc/26/38/88/960263888.db2.gz SCLZBPAEZQEUFS-CMPLNLGQSA-N 1 2 247.298 1.762 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000309947747 960306124 /nfs/dbraw/zinc/30/61/24/960306124.db2.gz DWZSAPFWETZAFC-WHXUTIOJSA-N 1 2 229.320 1.484 20 0 BDADLO c1nc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)co1 ZINC001141126670 960346372 /nfs/dbraw/zinc/34/63/72/960346372.db2.gz QALZPKGSDJUEHI-KOLCDFICSA-N 1 2 208.261 1.285 20 0 BDADLO c1nc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)co1 ZINC001141126670 960346379 /nfs/dbraw/zinc/34/63/79/960346379.db2.gz QALZPKGSDJUEHI-KOLCDFICSA-N 1 2 208.261 1.285 20 0 BDADLO CC(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000692641744 960364588 /nfs/dbraw/zinc/36/45/88/960364588.db2.gz HLKLWPSGQOYPCI-UHFFFAOYSA-N 1 2 209.293 1.390 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396562274 960374336 /nfs/dbraw/zinc/37/43/36/960374336.db2.gz UFEVJQBFTNYXQG-BDAKNGLRSA-N 1 2 215.293 1.047 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396562274 960374352 /nfs/dbraw/zinc/37/43/52/960374352.db2.gz UFEVJQBFTNYXQG-BDAKNGLRSA-N 1 2 215.293 1.047 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ncc1F ZINC001140605456 960455011 /nfs/dbraw/zinc/45/50/11/960455011.db2.gz BNDORWIIAAYWBL-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ncc1F ZINC001140605456 960455018 /nfs/dbraw/zinc/45/50/18/960455018.db2.gz BNDORWIIAAYWBL-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc(C)c1O ZINC001140658912 960479964 /nfs/dbraw/zinc/47/99/64/960479964.db2.gz FAMAAQDJHJLAHF-BETUJISGSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc(C)c1O ZINC001140658912 960479973 /nfs/dbraw/zinc/47/99/73/960479973.db2.gz FAMAAQDJHJLAHF-BETUJISGSA-N 1 2 233.311 1.982 20 0 BDADLO Cc1ccc2[nH]nnc2c1NC(=O)[C@@H](C)[NH+](C)C ZINC001353889738 960539546 /nfs/dbraw/zinc/53/95/46/960539546.db2.gz ZCNKDHDNLANKGU-MRVPVSSYSA-N 1 2 247.302 1.155 20 0 BDADLO Cc1cc(C[NH+]2CCC3(CC(=O)CO3)CC2)[nH]n1 ZINC001203070477 960623359 /nfs/dbraw/zinc/62/33/59/960623359.db2.gz VOJUBPLLVDLDEG-UHFFFAOYSA-N 1 2 249.314 1.042 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2[nH]cc(C)c2C)C1 ZINC001140863122 960648918 /nfs/dbraw/zinc/64/89/18/960648918.db2.gz ZSTAYGXARVSOBM-UHFFFAOYSA-N 1 2 235.331 1.294 20 0 BDADLO CCOC(=O)CC[NH2+][C@H](C)c1csnn1 ZINC000398408436 960675370 /nfs/dbraw/zinc/67/53/70/960675370.db2.gz KHHFGDMEABSVCT-SSDOTTSWSA-N 1 2 229.305 1.142 20 0 BDADLO CO[C@@H](C)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178388695 960689700 /nfs/dbraw/zinc/68/97/00/960689700.db2.gz UZJDSHFKOSUBFM-JTQLQIEISA-N 1 2 247.298 1.376 20 0 BDADLO C[N@H+](Cc1cnco1)Cc1ccccn1 ZINC001140927444 960696033 /nfs/dbraw/zinc/69/60/33/960696033.db2.gz SAKHYCSBUOVLAA-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1cnco1)Cc1ccccn1 ZINC001140927444 960696040 /nfs/dbraw/zinc/69/60/40/960696040.db2.gz SAKHYCSBUOVLAA-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3ncn(C)c3C2)[nH]n1 ZINC001203081312 960733261 /nfs/dbraw/zinc/73/32/61/960733261.db2.gz OCFYTLZBRIZPAB-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cc(C[N@H+]2CCc3ncn(C)c3C2)[nH]n1 ZINC001203081312 960733275 /nfs/dbraw/zinc/73/32/75/960733275.db2.gz OCFYTLZBRIZPAB-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1ccncc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001141036321 960826836 /nfs/dbraw/zinc/82/68/36/960826836.db2.gz UWQKJFKZYTUJEQ-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO Cc1ccncc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001141036321 960826839 /nfs/dbraw/zinc/82/68/39/960826839.db2.gz UWQKJFKZYTUJEQ-ZDUSSCGKSA-N 1 2 249.333 1.618 20 0 BDADLO C[N@H+](Cc1ccn2ccnc2c1)C1COC1 ZINC001141045999 960833371 /nfs/dbraw/zinc/83/33/71/960833371.db2.gz JAGDHHSUBMMRRD-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO C[N@@H+](Cc1ccn2ccnc2c1)C1COC1 ZINC001141045999 960833377 /nfs/dbraw/zinc/83/33/77/960833377.db2.gz JAGDHHSUBMMRRD-UHFFFAOYSA-N 1 2 217.272 1.165 20 0 BDADLO C[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)CCC1=O ZINC001141046957 960835926 /nfs/dbraw/zinc/83/59/26/960835926.db2.gz ATSNNFXXCJJOIC-LLVKDONJSA-N 1 2 243.310 1.745 20 0 BDADLO CCCCc1[nH]c(CN2CCOC[C@H]2C)c[nH+]1 ZINC001141067426 960858949 /nfs/dbraw/zinc/85/89/49/960858949.db2.gz BSOQAKWNNCHPCH-LLVKDONJSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]cc(CN2CCOC[C@H]2C)[nH+]1 ZINC001141067426 960858951 /nfs/dbraw/zinc/85/89/51/960858951.db2.gz BSOQAKWNNCHPCH-LLVKDONJSA-N 1 2 237.347 1.973 20 0 BDADLO CCCCc1[nH]c(CN2CCCC(=O)C2)c[nH+]1 ZINC001141072132 960861232 /nfs/dbraw/zinc/86/12/32/960861232.db2.gz PDGJFGWMHQWRNX-UHFFFAOYSA-N 1 2 235.331 1.917 20 0 BDADLO CCCCc1[nH]cc(CN2CCCC(=O)C2)[nH+]1 ZINC001141072132 960861234 /nfs/dbraw/zinc/86/12/34/960861234.db2.gz PDGJFGWMHQWRNX-UHFFFAOYSA-N 1 2 235.331 1.917 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@H+](Cc3cocn3)C2)N1 ZINC001141128354 960876831 /nfs/dbraw/zinc/87/68/31/960876831.db2.gz HLEFYRLKUODDTO-ZDUSSCGKSA-N 1 2 249.314 1.309 20 0 BDADLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cocn3)C2)N1 ZINC001141128354 960876837 /nfs/dbraw/zinc/87/68/37/960876837.db2.gz HLEFYRLKUODDTO-ZDUSSCGKSA-N 1 2 249.314 1.309 20 0 BDADLO CCCO[C@@H]1CC[N@H+](Cc2cocn2)C1 ZINC001141130095 960882660 /nfs/dbraw/zinc/88/26/60/960882660.db2.gz WSTPMNJYVBEOOC-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO CCCO[C@@H]1CC[N@@H+](Cc2cocn2)C1 ZINC001141130095 960882664 /nfs/dbraw/zinc/88/26/64/960882664.db2.gz WSTPMNJYVBEOOC-LLVKDONJSA-N 1 2 210.277 1.676 20 0 BDADLO C[C@H](CCCCO)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001141261361 961022833 /nfs/dbraw/zinc/02/28/33/961022833.db2.gz ASAUHYFCDDJASM-GHMZBOCLSA-N 1 2 239.319 1.111 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H](C)Cc2ccco2)C1 ZINC001481588694 961278368 /nfs/dbraw/zinc/27/83/68/961278368.db2.gz RHYQFDFRDDDHLI-SNVBAGLBSA-N 1 2 236.315 1.279 20 0 BDADLO Cc1c[nH]c(CCNC(=O)Cc2ccccn2)[nH+]1 ZINC001142167062 961310582 /nfs/dbraw/zinc/31/05/82/961310582.db2.gz MICLBCYXBYOYQG-UHFFFAOYSA-N 1 2 244.298 1.015 20 0 BDADLO CC(C)c1cc(NC=N)nc(N(C)C)[nH+]1 ZINC001167865883 961345200 /nfs/dbraw/zinc/34/52/00/961345200.db2.gz WRMRBTGOJCXLKT-UHFFFAOYSA-N 1 2 207.281 1.685 20 0 BDADLO Cc1nc(N2CC[C@](C)(O)C2)cc(C(C)C)[nH+]1 ZINC000709794769 961585625 /nfs/dbraw/zinc/58/56/25/961585625.db2.gz GELHOLLCCIGYQF-ZDUSSCGKSA-N 1 2 235.331 1.870 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)C1CC1 ZINC001142674376 961599999 /nfs/dbraw/zinc/59/99/99/961599999.db2.gz VHCDYXFFYURSAQ-UHFFFAOYSA-N 1 2 202.257 1.341 20 0 BDADLO COCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001142725520 961690923 /nfs/dbraw/zinc/69/09/23/961690923.db2.gz YBGAVIZUXKQYBW-UHFFFAOYSA-N 1 2 239.319 1.194 20 0 BDADLO Cc1ncsc1CN(C)c1cc(N)nc[nH+]1 ZINC000087830360 961763638 /nfs/dbraw/zinc/76/36/38/961763638.db2.gz NTCPZIWKDCUIMR-UHFFFAOYSA-N 1 2 235.316 1.460 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccn2ccnc12 ZINC001142943691 961846382 /nfs/dbraw/zinc/84/63/82/961846382.db2.gz BQLPVTJFIQWHEG-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccn2ccnc12 ZINC001142943691 961846385 /nfs/dbraw/zinc/84/63/85/961846385.db2.gz BQLPVTJFIQWHEG-LLVKDONJSA-N 1 2 231.299 1.555 20 0 BDADLO c1cn2cccc(C[N@@H+]3CCOCC34CC4)c2n1 ZINC001142960246 961858327 /nfs/dbraw/zinc/85/83/27/961858327.db2.gz LZFZPDDAOHJARW-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO c1cn2cccc(C[N@H+]3CCOCC34CC4)c2n1 ZINC001142960246 961858334 /nfs/dbraw/zinc/85/83/34/961858334.db2.gz LZFZPDDAOHJARW-UHFFFAOYSA-N 1 2 243.310 1.699 20 0 BDADLO C1=CC[NH+](Cc2cc3c(cn2)OCCO3)C1 ZINC001143053062 961874150 /nfs/dbraw/zinc/87/41/50/961874150.db2.gz IFAOFMYNODBMMS-UHFFFAOYSA-N 1 2 218.256 1.225 20 0 BDADLO Cc1ccc(N(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001143107257 961879180 /nfs/dbraw/zinc/87/91/80/961879180.db2.gz ZWNVYLOSAZMVGZ-UHFFFAOYSA-N 1 2 229.283 1.924 20 0 BDADLO Cc1ccc(CN2CC(C)(F)C2)c(N)[nH+]1 ZINC001143197824 961936868 /nfs/dbraw/zinc/93/68/68/961936868.db2.gz NCIBZZCRUHLNTR-UHFFFAOYSA-N 1 2 209.268 1.516 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc2cccnc2[nH]1 ZINC001143216648 961950388 /nfs/dbraw/zinc/95/03/88/961950388.db2.gz IGTOJJQDLXGSAD-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc2cccnc2[nH]1 ZINC001143216648 961950421 /nfs/dbraw/zinc/95/04/21/961950421.db2.gz IGTOJJQDLXGSAD-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO Cc1nnc(C[NH+]2CC([C@H]3CCOC3)C2)s1 ZINC000894148726 961970712 /nfs/dbraw/zinc/97/07/12/961970712.db2.gz LCDDKPZGIPFXQI-VIFPVBQESA-N 1 2 239.344 1.315 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(CO)ccc1C ZINC001150477628 962170941 /nfs/dbraw/zinc/17/09/41/962170941.db2.gz MSIIFWZJFNTJJU-ZDUSSCGKSA-N 1 2 248.326 1.520 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(CO)ccc1C ZINC001150477628 962170949 /nfs/dbraw/zinc/17/09/49/962170949.db2.gz MSIIFWZJFNTJJU-ZDUSSCGKSA-N 1 2 248.326 1.520 20 0 BDADLO C[NH+]1CC(NC(=O)c2cncc3ccccc32)C1 ZINC001150923751 962214322 /nfs/dbraw/zinc/21/43/22/962214322.db2.gz AIHBAEHWELWTFD-UHFFFAOYSA-N 1 2 241.294 1.279 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001269189388 962507474 /nfs/dbraw/zinc/50/74/74/962507474.db2.gz UDKZCXQANIVWKM-SGRBOOSSSA-N 1 2 216.712 1.339 20 0 BDADLO CCC(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001269189388 962507487 /nfs/dbraw/zinc/50/74/87/962507487.db2.gz UDKZCXQANIVWKM-SGRBOOSSSA-N 1 2 216.712 1.339 20 0 BDADLO CC1(CC(=O)NC[C@H]2CC[N@@H+]2CCF)CC1 ZINC001269266521 962570107 /nfs/dbraw/zinc/57/01/07/962570107.db2.gz DLQDUMMPCFDILE-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO CC1(CC(=O)NC[C@H]2CC[N@H+]2CCF)CC1 ZINC001269266521 962570117 /nfs/dbraw/zinc/57/01/17/962570117.db2.gz DLQDUMMPCFDILE-SNVBAGLBSA-N 1 2 228.311 1.337 20 0 BDADLO O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950114 962612628 /nfs/dbraw/zinc/61/26/28/962612628.db2.gz BEGNAUHRNNFHKF-UTINFBMNSA-N 1 2 217.259 1.487 20 0 BDADLO O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1(F)F ZINC001167950114 962612634 /nfs/dbraw/zinc/61/26/34/962612634.db2.gz BEGNAUHRNNFHKF-UTINFBMNSA-N 1 2 217.259 1.487 20 0 BDADLO C[NH+]1CC(Oc2ccc3n[nH]cc3c2)C1 ZINC001225718921 962751260 /nfs/dbraw/zinc/75/12/60/962751260.db2.gz XMCLBUJBHQEPOL-UHFFFAOYSA-N 1 2 203.245 1.256 20 0 BDADLO CCOCC(=O)N(C)C1C[NH+](CC=C(C)C)C1 ZINC001269752260 962784547 /nfs/dbraw/zinc/78/45/47/962784547.db2.gz ZULXXWYHSSFOIW-UHFFFAOYSA-N 1 2 240.347 1.132 20 0 BDADLO Cc1nonc1NC(=O)c1cccc2[nH+]ccn21 ZINC001154517744 962789761 /nfs/dbraw/zinc/78/97/61/962789761.db2.gz MPZTZSYYXIQQOV-UHFFFAOYSA-N 1 2 243.226 1.278 20 0 BDADLO O=C(N[C@@H]1C[C@@H]1C1CC1)c1cccc2[nH+]ccn21 ZINC001154528015 962795027 /nfs/dbraw/zinc/79/50/27/962795027.db2.gz MUECFWXFRKZKGQ-GHMZBOCLSA-N 1 2 241.294 1.863 20 0 BDADLO Nc1cc(NCc2nc3ccccc3o2)[nH+]cn1 ZINC001154655902 962829332 /nfs/dbraw/zinc/82/93/32/962829332.db2.gz YVGZXISXQUJFER-UHFFFAOYSA-N 1 2 241.254 1.812 20 0 BDADLO Cc1csc(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001270125976 962874935 /nfs/dbraw/zinc/87/49/35/962874935.db2.gz FBXVYFQSZKFVLP-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1csc(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001270125976 962874940 /nfs/dbraw/zinc/87/49/40/962874940.db2.gz FBXVYFQSZKFVLP-UHFFFAOYSA-N 1 2 236.340 1.587 20 0 BDADLO Cc1oncc1CNc1cc(N(C)C)nc[nH+]1 ZINC001154881270 962880307 /nfs/dbraw/zinc/88/03/07/962880307.db2.gz TXTMRTWSZVJRFX-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1oncc1CNc1cc(N(C)C)[nH+]cn1 ZINC001154881270 962880310 /nfs/dbraw/zinc/88/03/10/962880310.db2.gz TXTMRTWSZVJRFX-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO COc1cc(C)c[nH+]c1NCc1ncon1 ZINC001154896710 962887715 /nfs/dbraw/zinc/88/77/15/962887715.db2.gz NNXKYADZSDTBQE-UHFFFAOYSA-N 1 2 220.232 1.394 20 0 BDADLO Cn1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cn1 ZINC001204969858 963108423 /nfs/dbraw/zinc/10/84/23/963108423.db2.gz GVGBRGPFEZANJA-OLZOCXBDSA-N 1 2 247.342 1.754 20 0 BDADLO Cn1cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cn1 ZINC001204969858 963108426 /nfs/dbraw/zinc/10/84/26/963108426.db2.gz GVGBRGPFEZANJA-OLZOCXBDSA-N 1 2 247.342 1.754 20 0 BDADLO Cc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001143580834 963170853 /nfs/dbraw/zinc/17/08/53/963170853.db2.gz YEKYAGOSVCLPSN-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO Cc1cc(F)cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001143580834 963170855 /nfs/dbraw/zinc/17/08/55/963170855.db2.gz YEKYAGOSVCLPSN-NWDGAFQWSA-N 1 2 227.254 1.649 20 0 BDADLO CC[C@H](C)Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001168000253 963214914 /nfs/dbraw/zinc/21/49/14/963214914.db2.gz SGJMKNVVXVMCKT-LURJTMIESA-N 1 2 233.275 1.267 20 0 BDADLO Cc1nc(-n2cncn2)cc(NC2(C)CCC2)[nH+]1 ZINC001156076069 963255577 /nfs/dbraw/zinc/25/55/77/963255577.db2.gz WAGBPFLABDANJI-UHFFFAOYSA-N 1 2 244.302 1.720 20 0 BDADLO Cc1nonc1CNc1nc(C)[nH+]c2c1CCC2 ZINC001156087927 963260051 /nfs/dbraw/zinc/26/00/51/963260051.db2.gz RHPYSTKCZCNYAM-UHFFFAOYSA-N 1 2 245.286 1.577 20 0 BDADLO Cc1c(F)cc[nH+]c1N[C@H]1CCC(=O)N(C)C1 ZINC001156568276 963384202 /nfs/dbraw/zinc/38/42/02/963384202.db2.gz PGDIRFGZJNCQMS-VIFPVBQESA-N 1 2 237.278 1.562 20 0 BDADLO CSc1nc(NCc2cccnn2)cc(C)[nH+]1 ZINC001156608364 963405233 /nfs/dbraw/zinc/40/52/33/963405233.db2.gz FINXXBBDXAINHQ-UHFFFAOYSA-N 1 2 247.327 1.909 20 0 BDADLO Cn1c[nH+]cc1CN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001204383930 963450495 /nfs/dbraw/zinc/45/04/95/963450495.db2.gz OHPHJRGRNRHBMM-CHWSQXEVSA-N 1 2 247.342 1.754 20 0 BDADLO COc1cc(NCc2cc[nH+]c(N)c2)ncn1 ZINC001156756024 963453930 /nfs/dbraw/zinc/45/39/30/963453930.db2.gz OKSGXHCJSCWUFI-UHFFFAOYSA-N 1 2 231.259 1.075 20 0 BDADLO CCc1ccc(NCc2cc[nH+]c(N)c2)nn1 ZINC001156756839 963453940 /nfs/dbraw/zinc/45/39/40/963453940.db2.gz IBIYKZQYJHAINB-UHFFFAOYSA-N 1 2 229.287 1.628 20 0 BDADLO Cc1cnnc(NCc2cc[nH+]c(N)c2)c1 ZINC001156755472 963454801 /nfs/dbraw/zinc/45/48/01/963454801.db2.gz BRHIGDFESMNWMO-UHFFFAOYSA-N 1 2 215.260 1.374 20 0 BDADLO CC(=O)CNc1cc(-n2ccnc2)cc[nH+]1 ZINC001156780198 963460569 /nfs/dbraw/zinc/46/05/69/963460569.db2.gz RXNFFAWPQKYCAN-UHFFFAOYSA-N 1 2 216.244 1.268 20 0 BDADLO C/C=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001156799984 963466570 /nfs/dbraw/zinc/46/65/70/963466570.db2.gz MOICGYLLKABNAA-NSCUHMNNSA-N 1 2 201.229 1.849 20 0 BDADLO c1cn(CCc2nc(C3CSC3)no2)c[nH+]1 ZINC000896720624 963473680 /nfs/dbraw/zinc/47/36/80/963473680.db2.gz DRHZWHNTLDESNQ-UHFFFAOYSA-N 1 2 236.300 1.339 20 0 BDADLO O=C(NC1CCOCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001354710764 963475800 /nfs/dbraw/zinc/47/58/00/963475800.db2.gz PTVRQXGNELBIAT-UHFFFAOYSA-N 1 2 245.282 1.472 20 0 BDADLO CC[C@H](F)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156897039 963486624 /nfs/dbraw/zinc/48/66/24/963486624.db2.gz HAVHUNDHOPEWAE-QMMMGPOBSA-N 1 2 239.294 1.653 20 0 BDADLO Nc1[nH]c2cc(C(=O)Nc3cnoc3)ccc2[nH+]1 ZINC001156963966 963502317 /nfs/dbraw/zinc/50/23/17/963502317.db2.gz CMRURJHDISZMRC-UHFFFAOYSA-N 1 2 243.226 1.385 20 0 BDADLO COCc1cc[nH+]c(NC2(CO)CCCC2)c1 ZINC001157003272 963509560 /nfs/dbraw/zinc/50/95/60/963509560.db2.gz CQBROLTWCVVEMQ-UHFFFAOYSA-N 1 2 236.315 1.945 20 0 BDADLO CNc1ncccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052709835 963516621 /nfs/dbraw/zinc/51/66/21/963516621.db2.gz DMCUIQHZTBVRDS-GHMZBOCLSA-N 1 2 235.331 1.733 20 0 BDADLO CC(C)(C)NC(=O)c1ccnc(NC=[NH2+])c1 ZINC001157078376 963521033 /nfs/dbraw/zinc/52/10/33/963521033.db2.gz NDVUYKCILTVTBK-UHFFFAOYSA-N 1 2 220.276 1.629 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@@H](C)C(C)(F)F)[nH+]c1C ZINC000896910091 963521112 /nfs/dbraw/zinc/52/11/12/963521112.db2.gz LLMNLTYMEKQDCB-ZCFIWIBFSA-N 1 2 245.273 1.934 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2ncccc21 ZINC001157139308 963542471 /nfs/dbraw/zinc/54/24/71/963542471.db2.gz MEUNJWIPLFDIOT-GFCCVEGCSA-N 1 2 231.299 1.065 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2ncccc21 ZINC001157139308 963542480 /nfs/dbraw/zinc/54/24/80/963542480.db2.gz MEUNJWIPLFDIOT-GFCCVEGCSA-N 1 2 231.299 1.065 20 0 BDADLO COc1cc(CO)ccc1-c1cc[nH+]c(N)c1 ZINC001204795422 963610457 /nfs/dbraw/zinc/61/04/57/963610457.db2.gz IQVHRIAHJFNUGZ-UHFFFAOYSA-N 1 2 230.267 1.832 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1cc(F)ccn1 ZINC001157460177 963620697 /nfs/dbraw/zinc/62/06/97/963620697.db2.gz QVLJRGPHSSUVGM-UHFFFAOYSA-N 1 2 234.278 1.944 20 0 BDADLO CCN(CCn1cc[nH+]c1)c1nccnc1OC ZINC001157461391 963621790 /nfs/dbraw/zinc/62/17/90/963621790.db2.gz JQABZLUJWKYIMW-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO Cc1ncc(CNc2cc(N(C)C)nc[nH+]2)cn1 ZINC001157595901 963671553 /nfs/dbraw/zinc/67/15/53/963671553.db2.gz SGADPAXLXHBRJD-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO Cc1ncc(CNc2cc(N(C)C)[nH+]cn2)cn1 ZINC001157595901 963671558 /nfs/dbraw/zinc/67/15/58/963671558.db2.gz SGADPAXLXHBRJD-UHFFFAOYSA-N 1 2 244.302 1.253 20 0 BDADLO CC(=O)CCCC(=O)N(C)CC[N@H+](C)CCF ZINC001271962118 963708389 /nfs/dbraw/zinc/70/83/89/963708389.db2.gz GWTXLONSTAUQNC-UHFFFAOYSA-N 1 2 246.326 1.105 20 0 BDADLO CC(=O)CCCC(=O)N(C)CC[N@@H+](C)CCF ZINC001271962118 963708396 /nfs/dbraw/zinc/70/83/96/963708396.db2.gz GWTXLONSTAUQNC-UHFFFAOYSA-N 1 2 246.326 1.105 20 0 BDADLO C[C@@H]1C[C@H]([N@@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112088 963751589 /nfs/dbraw/zinc/75/15/89/963751589.db2.gz BSADXNZPKSCFHR-NXEZZACHSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@@H]1C[C@H]([N@H+]2CCNCC(F)(F)C2)CCO1 ZINC001168112088 963751597 /nfs/dbraw/zinc/75/15/97/963751597.db2.gz BSADXNZPKSCFHR-NXEZZACHSA-N 1 2 234.290 1.094 20 0 BDADLO C[C@@H]1C[C@H](N2CC[NH2+]CC(F)(F)C2)CCO1 ZINC001168112088 963751606 /nfs/dbraw/zinc/75/16/06/963751606.db2.gz BSADXNZPKSCFHR-NXEZZACHSA-N 1 2 234.290 1.094 20 0 BDADLO Cc1[nH]c2ccc(O[C@@H]3COC[C@H]3F)cc2[nH+]1 ZINC001228327910 963758856 /nfs/dbraw/zinc/75/88/56/963758856.db2.gz XOJCXJRBNKTHGU-BXKDBHETSA-N 1 2 236.246 1.987 20 0 BDADLO C=Cc1ccc(NC[C@@H]2CC(=O)N(C)C2)[nH+]c1 ZINC001157909339 963760900 /nfs/dbraw/zinc/76/09/00/963760900.db2.gz OGQQOMIEQUDCNF-NSHDSACASA-N 1 2 231.299 1.615 20 0 BDADLO CCCc1cc(N(C)[C@H]2CCOC2)nc(C)[nH+]1 ZINC001158575207 963891640 /nfs/dbraw/zinc/89/16/40/963891640.db2.gz SJZHPUSHNPTKQE-LBPRGKRZSA-N 1 2 235.331 1.963 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001158614073 963896165 /nfs/dbraw/zinc/89/61/65/963896165.db2.gz CVSSNQZFBLYVML-MXWKQRLJSA-N 1 2 221.304 1.606 20 0 BDADLO Cc1cc(F)cnc1NC[C@H]1COCC[N@H+]1C ZINC001158702857 963903584 /nfs/dbraw/zinc/90/35/84/963903584.db2.gz USIHJKAJSGVJRE-NSHDSACASA-N 1 2 239.294 1.272 20 0 BDADLO Cc1cc(F)cnc1NC[C@H]1COCC[N@@H+]1C ZINC001158702857 963903589 /nfs/dbraw/zinc/90/35/89/963903589.db2.gz USIHJKAJSGVJRE-NSHDSACASA-N 1 2 239.294 1.272 20 0 BDADLO C=Cc1ccc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC001158707229 963905368 /nfs/dbraw/zinc/90/53/68/963905368.db2.gz KREBAOIIBHFCJA-GFCCVEGCSA-N 1 2 233.315 1.467 20 0 BDADLO C=Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC001158707229 963905372 /nfs/dbraw/zinc/90/53/72/963905372.db2.gz KREBAOIIBHFCJA-GFCCVEGCSA-N 1 2 233.315 1.467 20 0 BDADLO Cn1cncc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001204387682 963953035 /nfs/dbraw/zinc/95/30/35/963953035.db2.gz HRIITZKLELDHCP-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cncc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001204387682 963953039 /nfs/dbraw/zinc/95/30/39/963953039.db2.gz HRIITZKLELDHCP-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cncc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001204387307 963953437 /nfs/dbraw/zinc/95/34/37/963953437.db2.gz LGFRVIWEYSUWME-SECBINFHSA-N 1 2 241.335 1.450 20 0 BDADLO Cn1c[nH+]cc1CN1CC(Oc2cccnc2)C1 ZINC001204388187 964012500 /nfs/dbraw/zinc/01/25/00/964012500.db2.gz WDUJWTPUASPOAC-UHFFFAOYSA-N 1 2 244.298 1.078 20 0 BDADLO OC[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]cc(F)c32)C1 ZINC001168240283 964037084 /nfs/dbraw/zinc/03/70/84/964037084.db2.gz PCONFWRZSLWOBM-KNVOCYPGSA-N 1 2 236.250 1.280 20 0 BDADLO OC[C@H]1C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001168242855 964049523 /nfs/dbraw/zinc/04/95/23/964049523.db2.gz DWCFAZFOCOIQHH-BJHJDKERSA-N 1 2 247.342 1.865 20 0 BDADLO COCc1cc[nH+]c(N[C@H]2C[C@H](NC(C)=O)C2)c1 ZINC001159508233 964116281 /nfs/dbraw/zinc/11/62/81/964116281.db2.gz QVXJWZDLDSPFEG-HAQNSBGRSA-N 1 2 249.314 1.307 20 0 BDADLO COc1cc(C)c[nH+]c1NC1CN(C(C)=O)C1 ZINC001159934599 964228905 /nfs/dbraw/zinc/22/89/05/964228905.db2.gz PBDNYLGJJPVLOX-UHFFFAOYSA-N 1 2 235.287 1.041 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OCc1cccs1 ZINC001223863440 964274365 /nfs/dbraw/zinc/27/43/65/964274365.db2.gz AAXVFXQNLZEIDG-NSHDSACASA-N 1 2 241.356 1.985 20 0 BDADLO CCCN(CCC)C(=O)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001160856534 964419473 /nfs/dbraw/zinc/41/94/73/964419473.db2.gz PVYBACINJCANJB-JTQLQIEISA-N 1 2 248.317 1.880 20 0 BDADLO C[C@@]1(O)C[C@H](CNc2cc[nH+]cc2F)C1 ZINC001168345394 964485243 /nfs/dbraw/zinc/48/52/43/964485243.db2.gz DJGQHWRFRZVSDJ-DKTWLAJQSA-N 1 2 210.252 1.216 20 0 BDADLO Cc1nc(NC[C@H]2C[C@@](C)(O)C2)cc[nH+]1 ZINC001168345621 964486488 /nfs/dbraw/zinc/48/64/88/964486488.db2.gz HOHMQQLBLCUCBS-JGZJWPJOSA-N 1 2 207.277 1.358 20 0 BDADLO CC(C)CONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001161057415 964510294 /nfs/dbraw/zinc/51/02/94/964510294.db2.gz YJTXZLYVKYBJEK-RKDXNWHRSA-N 1 2 223.276 1.217 20 0 BDADLO CC(C)CONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001161057415 964510298 /nfs/dbraw/zinc/51/02/98/964510298.db2.gz YJTXZLYVKYBJEK-RKDXNWHRSA-N 1 2 223.276 1.217 20 0 BDADLO c1cn(CCCNc2ncc3c(n2)CCC3)c[nH+]1 ZINC001161682810 964684014 /nfs/dbraw/zinc/68/40/14/964684014.db2.gz ZGINGPWOHKLKAB-UHFFFAOYSA-N 1 2 243.314 1.664 20 0 BDADLO Nc1nccc(F)c1NCCCn1cc[nH+]c1 ZINC001161682370 964684740 /nfs/dbraw/zinc/68/47/40/964684740.db2.gz OSYDMXMWMIRFAM-UHFFFAOYSA-N 1 2 235.266 1.502 20 0 BDADLO Cc1nnc(CNc2nc(C)[nH+]c3c2CCC3)o1 ZINC001161712222 964704711 /nfs/dbraw/zinc/70/47/11/964704711.db2.gz FXWVZUUOFDQBCP-UHFFFAOYSA-N 1 2 245.286 1.577 20 0 BDADLO CC(C)OCCNc1ccc2c([nH+]1)CCOC2 ZINC001161788983 964757976 /nfs/dbraw/zinc/75/79/76/964757976.db2.gz BJEQAPCGUZAKEB-UHFFFAOYSA-N 1 2 236.315 1.991 20 0 BDADLO Cn1nccc1CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001161868795 964803367 /nfs/dbraw/zinc/80/33/67/964803367.db2.gz XOSNWFCVDXNXST-UHFFFAOYSA-N 1 2 246.249 1.394 20 0 BDADLO CC(C)/C=C/C(=O)NCCc1[nH+]ccn1C ZINC001142664811 964814865 /nfs/dbraw/zinc/81/48/65/964814865.db2.gz JUPSGKXFMLAUNM-SNAWJCMRSA-N 1 2 221.304 1.291 20 0 BDADLO CCc1coc(CNc2ccc(N)[nH+]c2)n1 ZINC001162137560 964854285 /nfs/dbraw/zinc/85/42/85/964854285.db2.gz GEAOZEPMVSIPLO-UHFFFAOYSA-N 1 2 218.260 1.826 20 0 BDADLO Cc1cc2cc(NCc3ncon3)[nH+]cc2[nH]1 ZINC001162276090 964903726 /nfs/dbraw/zinc/90/37/26/964903726.db2.gz VTSLBGLKIDPRCS-UHFFFAOYSA-N 1 2 229.243 1.866 20 0 BDADLO O=C1C[C@@H](C[NH2+]c2ccc(O)cc2)CCN1 ZINC001162338072 964938146 /nfs/dbraw/zinc/93/81/46/964938146.db2.gz SYGXKARRPFXAOR-VIFPVBQESA-N 1 2 220.272 1.330 20 0 BDADLO Cc1nc(NCCN2CCCCO2)cc[nH+]1 ZINC001162422303 964974308 /nfs/dbraw/zinc/97/43/08/964974308.db2.gz BCBQDOJUFUWSQQ-UHFFFAOYSA-N 1 2 222.292 1.224 20 0 BDADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1C/C(Cl)=C/Cl ZINC000698159533 965070310 /nfs/dbraw/zinc/07/03/10/965070310.db2.gz MSHVEZLRWMFEIJ-LBGXYMLMSA-N 1 2 240.130 1.123 20 0 BDADLO C[C@]1(CO)C[C@H](O)C[N@H+]1C/C(Cl)=C/Cl ZINC000698159533 965070312 /nfs/dbraw/zinc/07/03/12/965070312.db2.gz MSHVEZLRWMFEIJ-LBGXYMLMSA-N 1 2 240.130 1.123 20 0 BDADLO O=C1C=C(Nc2ccc3c([nH+]2)CCC3)CCN1 ZINC001162643471 965085489 /nfs/dbraw/zinc/08/54/89/965085489.db2.gz LSTKYDSQVOWCRX-UHFFFAOYSA-N 1 2 229.283 1.386 20 0 BDADLO Cc1cc2c(nc[nH+]c2NC2=CC(=O)NCC2)[nH]1 ZINC001162643476 965085534 /nfs/dbraw/zinc/08/55/34/965085534.db2.gz TZOQJOFSEIGGRX-UHFFFAOYSA-N 1 2 243.270 1.082 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2cc3cc[nH]c3cn2)C1 ZINC001162680162 965111874 /nfs/dbraw/zinc/11/18/74/965111874.db2.gz HNDJLVGZGRJQMB-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2cc3cc[nH]c3cn2)C1 ZINC001162680162 965111887 /nfs/dbraw/zinc/11/18/87/965111887.db2.gz HNDJLVGZGRJQMB-LLVKDONJSA-N 1 2 246.314 1.305 20 0 BDADLO COc1cccc(CCNc2cc[nH+]cc2F)n1 ZINC001162742045 965155721 /nfs/dbraw/zinc/15/57/21/965155721.db2.gz BQKPDDSPWJLMBW-UHFFFAOYSA-N 1 2 247.273 1.701 20 0 BDADLO COc1ccnc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001231965722 965292204 /nfs/dbraw/zinc/29/22/04/965292204.db2.gz NDEKSOWJIAURDW-TVYUQYBPSA-N 1 2 236.290 1.880 20 0 BDADLO COc1ccnc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001231965722 965292209 /nfs/dbraw/zinc/29/22/09/965292209.db2.gz NDEKSOWJIAURDW-TVYUQYBPSA-N 1 2 236.290 1.880 20 0 BDADLO CCOC(=O)CC(N)=[NH+]c1ncnc2ccoc21 ZINC001163438629 965403552 /nfs/dbraw/zinc/40/35/52/965403552.db2.gz LXKOSCVVPROUAS-UHFFFAOYSA-N 1 2 248.242 1.565 20 0 BDADLO CCc1cc(N(C(N)=[NH2+])c2cc(C)[nH]n2)ncn1 ZINC001163511882 965420822 /nfs/dbraw/zinc/42/08/22/965420822.db2.gz NKTSBXYHBRKKHI-UHFFFAOYSA-N 1 2 245.290 1.102 20 0 BDADLO Cc1cc(O)cc(C[NH+]2CC(C)(O)C2)c1 ZINC001232879472 965428155 /nfs/dbraw/zinc/42/81/55/965428155.db2.gz GDIACFIGKCARPC-UHFFFAOYSA-N 1 2 207.273 1.267 20 0 BDADLO c1nc(N2CCC2)cc(N2CCCCC2)[nH+]1 ZINC001163537001 965434262 /nfs/dbraw/zinc/43/42/62/965434262.db2.gz AMLPRHGBLPSBON-UHFFFAOYSA-N 1 2 218.304 1.677 20 0 BDADLO c1nc(N2CCCCC2)cc(N2CCC2)[nH+]1 ZINC001163537001 965434267 /nfs/dbraw/zinc/43/42/67/965434267.db2.gz AMLPRHGBLPSBON-UHFFFAOYSA-N 1 2 218.304 1.677 20 0 BDADLO Cc1c(F)cc[nH+]c1N1CC2(CC(O)C2)C1 ZINC001163739376 965552321 /nfs/dbraw/zinc/55/23/21/965552321.db2.gz WYTLARSALSYZHW-UHFFFAOYSA-N 1 2 222.263 1.490 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)N(C)c1ccsc1 ZINC001163837173 965605837 /nfs/dbraw/zinc/60/58/37/965605837.db2.gz ZIBNLBVHKJEGDB-JTQLQIEISA-N 1 2 224.329 1.805 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)N(C)c1ccsc1 ZINC001163837173 965605844 /nfs/dbraw/zinc/60/58/44/965605844.db2.gz ZIBNLBVHKJEGDB-JTQLQIEISA-N 1 2 224.329 1.805 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1)n1cc[nH+]c1 ZINC001163878094 965617217 /nfs/dbraw/zinc/61/72/17/965617217.db2.gz RZFKWPIDDWKWFI-IRCOFANPSA-N 1 2 249.314 1.128 20 0 BDADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC=CC1 ZINC001163918271 965627759 /nfs/dbraw/zinc/62/77/59/965627759.db2.gz GEAGSDCKCIWNIW-UHFFFAOYSA-N 1 2 217.272 1.725 20 0 BDADLO O=S1(=O)C=C[C@@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001164008707 965691508 /nfs/dbraw/zinc/69/15/08/965691508.db2.gz VQXQKWZSCMHTBM-SECBINFHSA-N 1 2 249.295 1.286 20 0 BDADLO Cc1cc(N2C[C@@H](O)[C@@H](F)C2)nc(C(C)C)[nH+]1 ZINC001164105933 965735824 /nfs/dbraw/zinc/73/58/24/965735824.db2.gz UXOYOPJDLIPUIA-VHSXEESVSA-N 1 2 239.294 1.427 20 0 BDADLO O[C@@H]1CN(c2cccc(C3CC3)[nH+]2)C[C@@H]1F ZINC001164109972 965740433 /nfs/dbraw/zinc/74/04/33/965740433.db2.gz VXPJLEJBUIKKGZ-GXSJLCMTSA-N 1 2 222.263 1.478 20 0 BDADLO Cc1nc(NC[C@@H]2CC(C)(C)O2)cc[nH+]1 ZINC001168456247 965765123 /nfs/dbraw/zinc/76/51/23/965765123.db2.gz MAQYSBKXXCUNNC-VIFPVBQESA-N 1 2 207.277 1.764 20 0 BDADLO O=C1CN(c2cccc(C3CC3)[nH+]2)CCCN1 ZINC001164283645 965828166 /nfs/dbraw/zinc/82/81/66/965828166.db2.gz HVOLSMRBTVMMGO-UHFFFAOYSA-N 1 2 231.299 1.285 20 0 BDADLO CSc1cc[nH+]c(N2CCCNC(=O)C2)c1 ZINC001164284198 965828795 /nfs/dbraw/zinc/82/87/95/965828795.db2.gz RSCSWAHGPIQDKO-UHFFFAOYSA-N 1 2 237.328 1.130 20 0 BDADLO Fc1c[nH]c2nc[nH+]c(NCCn3cccc3)c12 ZINC001164438698 965883981 /nfs/dbraw/zinc/88/39/81/965883981.db2.gz FWFWWZPFLCXDGD-UHFFFAOYSA-N 1 2 245.261 1.962 20 0 BDADLO Cc1cc(N2CC[NH2+]CC(F)(F)C2)ncc1F ZINC001164488869 965896292 /nfs/dbraw/zinc/89/62/92/965896292.db2.gz OKGBVWQKVWREIB-UHFFFAOYSA-N 1 2 245.248 1.574 20 0 BDADLO C[C@@]1(O)CCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001165231731 965996674 /nfs/dbraw/zinc/99/66/74/965996674.db2.gz KXSYUMXBWNBZGW-SNVBAGLBSA-N 1 2 227.695 1.278 20 0 BDADLO O=C([C@@H]1C[C@H]1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001123644579 966231658 /nfs/dbraw/zinc/23/16/58/966231658.db2.gz LVHFXYWPASUJGI-OPRDCNLKSA-N 1 2 237.278 1.474 20 0 BDADLO CN(C)C(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919126736 966293059 /nfs/dbraw/zinc/29/30/59/966293059.db2.gz LKMXADMRYQUOSR-UHFFFAOYSA-N 1 2 243.310 1.562 20 0 BDADLO OC[C@H]1CCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166551119 966298565 /nfs/dbraw/zinc/29/85/65/966298565.db2.gz REVPZFKTWXWWOP-JTQLQIEISA-N 1 2 218.300 1.778 20 0 BDADLO CSc1cc[nH+]c(N2CC[C@H](CO)C2)c1 ZINC001166550317 966298869 /nfs/dbraw/zinc/29/88/69/966298869.db2.gz CYABDLKQVUDFGW-VIFPVBQESA-N 1 2 224.329 1.622 20 0 BDADLO C[C@H]1C(=O)NCCN1c1ccc(C(C)(C)C)c[nH+]1 ZINC001166562432 966304235 /nfs/dbraw/zinc/30/42/35/966304235.db2.gz SQXVKDMKPAFWLS-JTQLQIEISA-N 1 2 247.342 1.704 20 0 BDADLO C[N@H+](CCO)Cc1cc(O)c(F)c(F)c1 ZINC001236256031 966327405 /nfs/dbraw/zinc/32/74/05/966327405.db2.gz KAOUDIHMEYYQLF-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO C[N@@H+](CCO)Cc1cc(O)c(F)c(F)c1 ZINC001236256031 966327421 /nfs/dbraw/zinc/32/74/21/966327421.db2.gz KAOUDIHMEYYQLF-UHFFFAOYSA-N 1 2 217.215 1.095 20 0 BDADLO CC(=O)OC1CN(c2ccc(C(C)C)c[nH+]2)C1 ZINC001166636144 966341237 /nfs/dbraw/zinc/34/12/37/966341237.db2.gz DFEHWPROBZVEOT-UHFFFAOYSA-N 1 2 234.299 1.957 20 0 BDADLO Cc1c(F)cc[nH+]c1N1C[C@@H]2C[C@H]1CO2 ZINC001166756706 966393249 /nfs/dbraw/zinc/39/32/49/966393249.db2.gz NOSNFFOJWWGVOX-IUCAKERBSA-N 1 2 208.236 1.507 20 0 BDADLO Cc1cc(N2C[C@@H]3C[C@H]2CO3)nc(C(C)C)[nH+]1 ZINC001166756984 966400568 /nfs/dbraw/zinc/40/05/68/966400568.db2.gz WHKPQTLAAYEKIJ-QWRGUYRKSA-N 1 2 233.315 1.886 20 0 BDADLO Cc1c[nH+]c(C)nc1N1CCC(=O)C[C@@H]1C ZINC001166931669 966445900 /nfs/dbraw/zinc/44/59/00/966445900.db2.gz CJCWTXBGTQECQA-VIFPVBQESA-N 1 2 219.288 1.651 20 0 BDADLO CCSc1cc[nH+]c(N2CC(O)C2)c1 ZINC001166938691 966454601 /nfs/dbraw/zinc/45/46/01/966454601.db2.gz FQIWQHQRBUQZRS-UHFFFAOYSA-N 1 2 210.302 1.375 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)o1 ZINC001236588759 966472564 /nfs/dbraw/zinc/47/25/64/966472564.db2.gz BIGRCAFGCNWNIK-MNOVXSKESA-N 1 2 242.294 1.444 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)o1 ZINC001236588759 966472567 /nfs/dbraw/zinc/47/25/67/966472567.db2.gz BIGRCAFGCNWNIK-MNOVXSKESA-N 1 2 242.294 1.444 20 0 BDADLO Cc1nc(N2CCN(C)C(=O)[C@@H]2C)c(C)c(C)[nH+]1 ZINC001167039162 966529774 /nfs/dbraw/zinc/52/97/74/966529774.db2.gz FETXUAKHJBWIJN-JTQLQIEISA-N 1 2 248.330 1.069 20 0 BDADLO CCC[N@H+](CCc1ccccn1)Cc1cnn[nH]1 ZINC001203206824 966552776 /nfs/dbraw/zinc/55/27/76/966552776.db2.gz FNGHRPVFMWYMOV-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO CCC[N@@H+](CCc1ccccn1)Cc1cnn[nH]1 ZINC001203206824 966552779 /nfs/dbraw/zinc/55/27/79/966552779.db2.gz FNGHRPVFMWYMOV-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO CCC[N@H+](CCc1ccccn1)Cc1c[nH]nn1 ZINC001203206824 966552788 /nfs/dbraw/zinc/55/27/88/966552788.db2.gz FNGHRPVFMWYMOV-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO CCC[N@@H+](CCc1ccccn1)Cc1c[nH]nn1 ZINC001203206824 966552793 /nfs/dbraw/zinc/55/27/93/966552793.db2.gz FNGHRPVFMWYMOV-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO CCC[N@H+](CCc1ccccn1)Cc1cn[nH]n1 ZINC001203206824 966552800 /nfs/dbraw/zinc/55/28/00/966552800.db2.gz FNGHRPVFMWYMOV-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO CCC[N@@H+](CCc1ccccn1)Cc1cn[nH]n1 ZINC001203206824 966552806 /nfs/dbraw/zinc/55/28/06/966552806.db2.gz FNGHRPVFMWYMOV-UHFFFAOYSA-N 1 2 245.330 1.654 20 0 BDADLO CC(C)n1ncnc1C[NH2+]Cc1ccc[nH]c1=O ZINC001203306741 966604576 /nfs/dbraw/zinc/60/45/76/966604576.db2.gz CBWOTEREQINMLP-UHFFFAOYSA-N 1 2 247.302 1.249 20 0 BDADLO CNc1ccc(Nc2cnc(C)nc2)c[nH+]1 ZINC001203448876 966648142 /nfs/dbraw/zinc/64/81/42/966648142.db2.gz OPWACGRNOLNIIH-UHFFFAOYSA-N 1 2 215.260 1.965 20 0 BDADLO CNc1ccc(Nc2cc(C)nn2CCO)c[nH+]1 ZINC001203448702 966650702 /nfs/dbraw/zinc/65/07/02/966650702.db2.gz GGSOCNDQIZXTMW-UHFFFAOYSA-N 1 2 247.302 1.364 20 0 BDADLO CNc1ccc(Nc2cnc3cccnn32)c[nH+]1 ZINC001203453144 966655050 /nfs/dbraw/zinc/65/50/50/966655050.db2.gz WRYAYSOLUKIHMI-UHFFFAOYSA-N 1 2 240.270 1.910 20 0 BDADLO Cc1c[nH+]c(C)c(Nc2oncc2C(N)=O)c1 ZINC001203657103 966722030 /nfs/dbraw/zinc/72/20/30/966722030.db2.gz JHYGAIZSVDQEOY-UHFFFAOYSA-N 1 2 232.243 1.529 20 0 BDADLO Cc1cnn(CCO)c1Nc1cc(C)c[nH+]c1C ZINC001203660790 966727771 /nfs/dbraw/zinc/72/77/71/966727771.db2.gz MMXYWKZBDBSSHK-UHFFFAOYSA-N 1 2 246.314 1.939 20 0 BDADLO C[N@@H+](Cc1csc(Cl)n1)C[C@H](O)C1CC1 ZINC000690303115 966780899 /nfs/dbraw/zinc/78/08/99/966780899.db2.gz KWOJTFIWSDDMRS-VIFPVBQESA-N 1 2 246.763 1.999 20 0 BDADLO C[N@H+](Cc1csc(Cl)n1)C[C@H](O)C1CC1 ZINC000690303115 966780904 /nfs/dbraw/zinc/78/09/04/966780904.db2.gz KWOJTFIWSDDMRS-VIFPVBQESA-N 1 2 246.763 1.999 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc[nH]2)[C@@H](C)C1 ZINC001204006626 966844172 /nfs/dbraw/zinc/84/41/72/966844172.db2.gz AIVOUSFIYKJBBF-JTQLQIEISA-N 1 2 221.304 1.067 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc[nH]2)[C@@H](C)C1 ZINC001204006626 966844174 /nfs/dbraw/zinc/84/41/74/966844174.db2.gz AIVOUSFIYKJBBF-JTQLQIEISA-N 1 2 221.304 1.067 20 0 BDADLO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)n1 ZINC001204066569 966874204 /nfs/dbraw/zinc/87/42/04/966874204.db2.gz ZIESVXGMEGCNQO-RYUDHWBXSA-N 1 2 238.306 1.542 20 0 BDADLO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)n1 ZINC001204066569 966874205 /nfs/dbraw/zinc/87/42/05/966874205.db2.gz ZIESVXGMEGCNQO-RYUDHWBXSA-N 1 2 238.306 1.542 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccncc2)C[C@H]1C ZINC001204081877 966884687 /nfs/dbraw/zinc/88/46/87/966884687.db2.gz QVBJGPBGEVVIRQ-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccncc2)C[C@H]1C ZINC001204081877 966884689 /nfs/dbraw/zinc/88/46/89/966884689.db2.gz QVBJGPBGEVVIRQ-LLVKDONJSA-N 1 2 233.315 1.134 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccncc1 ZINC001204082638 966886930 /nfs/dbraw/zinc/88/69/30/966886930.db2.gz ZUFBRGKUEWBIBJ-AGIUHOORSA-N 1 2 246.310 1.608 20 0 BDADLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccncc1 ZINC001204082638 966886937 /nfs/dbraw/zinc/88/69/37/966886937.db2.gz ZUFBRGKUEWBIBJ-AGIUHOORSA-N 1 2 246.310 1.608 20 0 BDADLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(O)cc1 ZINC001204099309 966893693 /nfs/dbraw/zinc/89/36/93/966893693.db2.gz UCLRYCDCECJTTQ-GFCCVEGCSA-N 1 2 237.299 1.239 20 0 BDADLO COC[C@@H]1COCC[N@H+]1Cc1ccc(O)cc1 ZINC001204099309 966893699 /nfs/dbraw/zinc/89/36/99/966893699.db2.gz UCLRYCDCECJTTQ-GFCCVEGCSA-N 1 2 237.299 1.239 20 0 BDADLO COc1cc(C[N@@H+]2CCOC3(CC3)C2)ccc1O ZINC001204119600 966897608 /nfs/dbraw/zinc/89/76/08/966897608.db2.gz LWJNLVYPPHNRNZ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1cc(C[N@H+]2CCOC3(CC3)C2)ccc1O ZINC001204119600 966897611 /nfs/dbraw/zinc/89/76/11/966897611.db2.gz LWJNLVYPPHNRNZ-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO O[C@@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@@H]1F ZINC001204193407 966922198 /nfs/dbraw/zinc/92/21/98/966922198.db2.gz IWBSDZJMHAQBOO-GXSJLCMTSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@@H]1F ZINC001204193407 966922202 /nfs/dbraw/zinc/92/22/02/966922202.db2.gz IWBSDZJMHAQBOO-GXSJLCMTSA-N 1 2 245.244 1.870 20 0 BDADLO C[N@H+](Cc1cc(F)cc(F)c1)C1COC1 ZINC001204234850 966938295 /nfs/dbraw/zinc/93/82/95/966938295.db2.gz YTLAEFSFZSWNAE-UHFFFAOYSA-N 1 2 213.227 1.795 20 0 BDADLO F[C@H]1CC[N@@H+](C2CN(Cc3ccoc3)C2)C1 ZINC001204245184 966940093 /nfs/dbraw/zinc/94/00/93/966940093.db2.gz DRAKEAICFQFPSP-NSHDSACASA-N 1 2 224.279 1.508 20 0 BDADLO F[C@H]1CC[N@H+](C2CN(Cc3ccoc3)C2)C1 ZINC001204245184 966940101 /nfs/dbraw/zinc/94/01/01/966940101.db2.gz DRAKEAICFQFPSP-NSHDSACASA-N 1 2 224.279 1.508 20 0 BDADLO NC(=O)C1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204284973 966959759 /nfs/dbraw/zinc/95/97/59/966959759.db2.gz ZOHKUQDVKPKPLJ-UHFFFAOYSA-N 1 2 242.681 1.396 20 0 BDADLO c1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc2c1OCC2 ZINC001204494852 967006786 /nfs/dbraw/zinc/00/67/86/967006786.db2.gz TVKYMJVLWWAOGY-ZIAGYGMSSA-N 1 2 245.322 1.985 20 0 BDADLO c1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc2c1OCC2 ZINC001204494852 967006795 /nfs/dbraw/zinc/00/67/95/967006795.db2.gz TVKYMJVLWWAOGY-ZIAGYGMSSA-N 1 2 245.322 1.985 20 0 BDADLO Cc1c(F)cccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC001204508616 967013787 /nfs/dbraw/zinc/01/37/87/967013787.db2.gz QKIGVLPNZAJUQB-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1c(F)cccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC001204508616 967013797 /nfs/dbraw/zinc/01/37/97/967013797.db2.gz QKIGVLPNZAJUQB-GFCCVEGCSA-N 1 2 239.290 1.327 20 0 BDADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccncc2)cc1 ZINC001239611572 967046007 /nfs/dbraw/zinc/04/60/07/967046007.db2.gz ZNLUOKLHHPPDLK-ZDUSSCGKSA-N 1 2 242.278 1.921 20 0 BDADLO Cc1cc(Nc2c[nH]ccc2=O)c[nH+]c1N ZINC001249783562 967057054 /nfs/dbraw/zinc/05/70/54/967057054.db2.gz DEICELFDADHLFS-UHFFFAOYSA-N 1 2 216.244 1.404 20 0 BDADLO Cc1nn(C)cc1C[N@H+](C)Cc1ccno1 ZINC001204582798 967070048 /nfs/dbraw/zinc/07/00/48/967070048.db2.gz INSUUSLTHACRCZ-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccno1 ZINC001204582798 967070059 /nfs/dbraw/zinc/07/00/59/967070059.db2.gz INSUUSLTHACRCZ-UHFFFAOYSA-N 1 2 220.276 1.349 20 0 BDADLO Cc1nc[nH]c1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001204587375 967076955 /nfs/dbraw/zinc/07/69/55/967076955.db2.gz CBLGZIHAFBODSI-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1nc[nH]c1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001204587375 967076967 /nfs/dbraw/zinc/07/69/67/967076967.db2.gz CBLGZIHAFBODSI-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)[C@H](C)CC1 ZINC001204587375 967076976 /nfs/dbraw/zinc/07/69/76/967076976.db2.gz CBLGZIHAFBODSI-SECBINFHSA-N 1 2 221.304 1.519 20 0 BDADLO Cc1[nH+]c[nH]c1CN1CCC(=O)[C@H](C)C1 ZINC001204588225 967086140 /nfs/dbraw/zinc/08/61/40/967086140.db2.gz WEPKDUABHPPAQZ-MRVPVSSYSA-N 1 2 207.277 1.129 20 0 BDADLO COc1ccc(C[NH+]2CC(C)(CO)C2)nc1C ZINC001249891176 967131790 /nfs/dbraw/zinc/13/17/90/967131790.db2.gz DKPTVJVKULCMGJ-UHFFFAOYSA-N 1 2 236.315 1.213 20 0 BDADLO COCc1cc(C[N@@H+]2CC[C@H](OC)C2)no1 ZINC001204768373 967157235 /nfs/dbraw/zinc/15/72/35/967157235.db2.gz IUQFZYDAXHAOJX-JTQLQIEISA-N 1 2 226.276 1.042 20 0 BDADLO COCc1cc(C[N@H+]2CC[C@H](OC)C2)no1 ZINC001204768373 967157242 /nfs/dbraw/zinc/15/72/42/967157242.db2.gz IUQFZYDAXHAOJX-JTQLQIEISA-N 1 2 226.276 1.042 20 0 BDADLO C[C@@H](O)C[N@H+](C)Cc1scnc1Cl ZINC000721924809 967242738 /nfs/dbraw/zinc/24/27/38/967242738.db2.gz XOYJBUHRJPEAKW-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1scnc1Cl ZINC000721924809 967242748 /nfs/dbraw/zinc/24/27/48/967242748.db2.gz XOYJBUHRJPEAKW-ZCFIWIBFSA-N 1 2 220.725 1.609 20 0 BDADLO C[C@H](O)C[N@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000691348307 967255169 /nfs/dbraw/zinc/25/51/69/967255169.db2.gz GAECEWFWLLMBAC-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@H](O)C[N@@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000691348307 967255180 /nfs/dbraw/zinc/25/51/80/967255180.db2.gz GAECEWFWLLMBAC-QMMMGPOBSA-N 1 2 243.738 1.419 20 0 BDADLO CN(c1ccn2cc[nH+]c2c1)c1nccnc1N ZINC001204958830 967257014 /nfs/dbraw/zinc/25/70/14/967257014.db2.gz CGCXPEHWBFCYFU-UHFFFAOYSA-N 1 2 240.270 1.474 20 0 BDADLO O=C1N=CNC(=O)C1Nc1ccn2cc[nH+]c2c1 ZINC001204965898 967264524 /nfs/dbraw/zinc/26/45/24/967264524.db2.gz JNUFGHSDGSNUBG-UHFFFAOYSA-N 1 2 243.226 1.279 20 0 BDADLO Cn1cc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cn1 ZINC001204978334 967271247 /nfs/dbraw/zinc/27/12/47/967271247.db2.gz AAGNVQYXEUPCBF-QWRGUYRKSA-N 1 2 229.274 1.692 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001205137877 967381279 /nfs/dbraw/zinc/38/12/79/967381279.db2.gz BXZBQFRZLUQJNU-GFCCVEGCSA-N 1 2 221.304 1.175 20 0 BDADLO CC(=O)NCc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001240150927 967389224 /nfs/dbraw/zinc/38/92/24/967389224.db2.gz LKVQEVFUUHYCAY-UHFFFAOYSA-N 1 2 241.294 1.967 20 0 BDADLO CC(=O)OC1C[NH+](Cc2cccc3[nH]ccc32)C1 ZINC001205289718 967485329 /nfs/dbraw/zinc/48/53/29/967485329.db2.gz GUDYQVRZTQVGAC-UHFFFAOYSA-N 1 2 244.294 1.915 20 0 BDADLO CNc1cc(F)cc(CC[NH+]2CCOCC2)c1 ZINC001250276399 967613042 /nfs/dbraw/zinc/61/30/42/967613042.db2.gz FETUAWQHKIFFFK-UHFFFAOYSA-N 1 2 238.306 1.742 20 0 BDADLO C[S@](=O)c1ccc(CCn2cc[nH+]c2)cc1 ZINC001250316308 967679703 /nfs/dbraw/zinc/67/97/03/967679703.db2.gz IDLTXDBCYRACAX-INIZCTEOSA-N 1 2 234.324 1.863 20 0 BDADLO COCc1cncc(CCn2cc[nH+]c2)c1 ZINC001250318350 967689083 /nfs/dbraw/zinc/68/90/83/967689083.db2.gz DIXRJXXWSLYARW-UHFFFAOYSA-N 1 2 217.272 1.667 20 0 BDADLO c1cn(CCc2ccc3c(c2)NCCO3)c[nH+]1 ZINC001250318674 967692705 /nfs/dbraw/zinc/69/27/05/967692705.db2.gz KCPZSDGMVYXVML-UHFFFAOYSA-N 1 2 229.283 1.930 20 0 BDADLO OCc1cc(CCn2cc[nH+]c2)ccc1F ZINC001250319558 967693733 /nfs/dbraw/zinc/69/37/33/967693733.db2.gz VEEJZJOJJVIHLJ-UHFFFAOYSA-N 1 2 220.247 1.757 20 0 BDADLO c1cn(CCc2cnc3nccnc3c2)c[nH+]1 ZINC001250318671 967694943 /nfs/dbraw/zinc/69/49/43/967694943.db2.gz KBPCNHKYLZXCTP-UHFFFAOYSA-N 1 2 225.255 1.464 20 0 BDADLO COc1cc[nH+]cc1Cc1cc(C)no1 ZINC001250363962 967769884 /nfs/dbraw/zinc/76/98/84/967769884.db2.gz BBSPEDKDYGCZMR-UHFFFAOYSA-N 1 2 204.229 1.977 20 0 BDADLO CCN(C)c1cc(NCC(C)(F)F)[nH+]cn1 ZINC001162228149 967771870 /nfs/dbraw/zinc/77/18/70/967771870.db2.gz JQYCBMFYEJHQDS-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO CCN(C)c1cc(NCC(C)(F)F)nc[nH+]1 ZINC001162228149 967771882 /nfs/dbraw/zinc/77/18/82/967771882.db2.gz JQYCBMFYEJHQDS-UHFFFAOYSA-N 1 2 230.262 2.000 20 0 BDADLO F[C@H]1CSC2(C[NH+](Cc3cnoc3)C2)C1 ZINC001205724589 967803749 /nfs/dbraw/zinc/80/37/49/967803749.db2.gz ULEKSCPSBHBZAA-SECBINFHSA-N 1 2 228.292 1.704 20 0 BDADLO Cc1cccnc1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001205769355 967812828 /nfs/dbraw/zinc/81/28/28/967812828.db2.gz FNYMJRIULDLRPM-LLVKDONJSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1cccnc1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001205769355 967812829 /nfs/dbraw/zinc/81/28/29/967812829.db2.gz FNYMJRIULDLRPM-LLVKDONJSA-N 1 2 236.290 1.893 20 0 BDADLO Cc1cc(-c2noc(Cn3cc[nH+]c3)n2)ccn1 ZINC001212537289 967851278 /nfs/dbraw/zinc/85/12/78/967851278.db2.gz IGLHKSBBFJYRJZ-UHFFFAOYSA-N 1 2 241.254 1.685 20 0 BDADLO CC(=O)N(C)C1C[NH+](Cc2ccncc2C)C1 ZINC001205857898 967860852 /nfs/dbraw/zinc/86/08/52/967860852.db2.gz OXAVEDDNJFJNRF-UHFFFAOYSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)o1 ZINC001206243512 968165001 /nfs/dbraw/zinc/16/50/01/968165001.db2.gz DEBRDYZMYLJPFU-VIFPVBQESA-N 1 2 249.236 1.449 20 0 BDADLO Cc1ncc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)o1 ZINC001206243512 968165010 /nfs/dbraw/zinc/16/50/10/968165010.db2.gz DEBRDYZMYLJPFU-VIFPVBQESA-N 1 2 249.236 1.449 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@@H](O)C(F)(F)F ZINC001250961899 968223527 /nfs/dbraw/zinc/22/35/27/968223527.db2.gz GGYFFOFZCSYRMB-RXMQYKEDSA-N 1 2 209.171 1.053 20 0 BDADLO Cc1[nH]c[nH+]c1NC[C@H](O)C(F)(F)F ZINC001250961900 968223893 /nfs/dbraw/zinc/22/38/93/968223893.db2.gz GGYFFOFZCSYRMB-YFKPBYRVSA-N 1 2 209.171 1.053 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)n1cccc1 ZINC001118793514 968229702 /nfs/dbraw/zinc/22/97/02/968229702.db2.gz NJZRJPPLVMQINA-GHMZBOCLSA-N 1 2 244.298 1.507 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)n1cccc1 ZINC001118793523 968230145 /nfs/dbraw/zinc/23/01/45/968230145.db2.gz NJZRJPPLVMQINA-WDEREUQCSA-N 1 2 244.298 1.507 20 0 BDADLO COc1ncc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)cn1 ZINC001206381578 968271918 /nfs/dbraw/zinc/27/19/18/968271918.db2.gz MVHZGNLVUYYEJI-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO COc1ncc(C[N@H+]2C[C@@H](C)C[C@H]2CF)cn1 ZINC001206381578 968271920 /nfs/dbraw/zinc/27/19/20/968271920.db2.gz MVHZGNLVUYYEJI-ONGXEEELSA-N 1 2 239.294 1.665 20 0 BDADLO CCCc1cc(N2CC3(CCO3)C2)nc(C)[nH+]1 ZINC001166941779 968396598 /nfs/dbraw/zinc/39/65/98/968396598.db2.gz KIGZNAVAEKVRTF-UHFFFAOYSA-N 1 2 233.315 1.717 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC001168765874 968481202 /nfs/dbraw/zinc/48/12/02/968481202.db2.gz NPQVECJLAZWBOL-SKDRFNHKSA-N 1 2 236.315 1.755 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C[C@@H]1O ZINC001168765874 968481208 /nfs/dbraw/zinc/48/12/08/968481208.db2.gz NPQVECJLAZWBOL-SKDRFNHKSA-N 1 2 236.315 1.755 20 0 BDADLO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCOC2=O)cc1 ZINC001119974904 968494094 /nfs/dbraw/zinc/49/40/94/968494094.db2.gz ODUYSHHUZWQEOO-AAEUAGOBSA-N 1 2 233.311 1.831 20 0 BDADLO CNc1cc(NC[C@H]2CCC(C)(C)O2)[nH+]cn1 ZINC000821981349 968503478 /nfs/dbraw/zinc/50/34/78/968503478.db2.gz BPHHIYOEIODZCY-SECBINFHSA-N 1 2 236.319 1.888 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001206863523 968507178 /nfs/dbraw/zinc/50/71/78/968507178.db2.gz LRHPMEORBJLKKX-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001206863523 968507181 /nfs/dbraw/zinc/50/71/81/968507181.db2.gz LRHPMEORBJLKKX-NXEZZACHSA-N 1 2 244.335 1.604 20 0 BDADLO CO[C@H]1C[N@H+](Cc2scnc2C)C[C@@H]1F ZINC001206863591 968507581 /nfs/dbraw/zinc/50/75/81/968507581.db2.gz NLKKWQZIPSQVTO-IUCAKERBSA-N 1 2 230.308 1.620 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1F ZINC001206863591 968507589 /nfs/dbraw/zinc/50/75/89/968507589.db2.gz NLKKWQZIPSQVTO-IUCAKERBSA-N 1 2 230.308 1.620 20 0 BDADLO [NH3+][C@]1(c2nc(-c3cccc(F)c3)no2)CCOC1 ZINC000085850788 968508376 /nfs/dbraw/zinc/50/83/76/968508376.db2.gz SKVDHOVITPHYGI-GFCCVEGCSA-N 1 2 249.245 1.450 20 0 BDADLO C/C=C\[C@H](O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822522248 968521637 /nfs/dbraw/zinc/52/16/37/968521637.db2.gz HCIKPPGXNCXGTQ-ADAMHKFESA-N 1 2 249.314 1.053 20 0 BDADLO COc1cncc(C[N@H+](C)Cc2cncnc2)c1 ZINC001206998754 968532730 /nfs/dbraw/zinc/53/27/30/968532730.db2.gz ZPARZJBMKCLABW-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO COc1cncc(C[N@@H+](C)Cc2cncnc2)c1 ZINC001206998754 968532740 /nfs/dbraw/zinc/53/27/40/968532740.db2.gz ZPARZJBMKCLABW-UHFFFAOYSA-N 1 2 244.298 1.512 20 0 BDADLO O=c1[nH]cccc1C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001207002498 968537958 /nfs/dbraw/zinc/53/79/58/968537958.db2.gz YBMIGLOBQHPORH-SECBINFHSA-N 1 2 246.232 1.966 20 0 BDADLO O=c1[nH]cccc1C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001207002498 968537964 /nfs/dbraw/zinc/53/79/64/968537964.db2.gz YBMIGLOBQHPORH-SECBINFHSA-N 1 2 246.232 1.966 20 0 BDADLO Cn1cnc2c1CC[N@H+](Cc1ccc[nH]c1=O)C2 ZINC001207008977 968546974 /nfs/dbraw/zinc/54/69/74/968546974.db2.gz PACWVHGTIUGQQY-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO Cn1cnc2c1CC[N@@H+](Cc1ccc[nH]c1=O)C2 ZINC001207008977 968546984 /nfs/dbraw/zinc/54/69/84/968546984.db2.gz PACWVHGTIUGQQY-UHFFFAOYSA-N 1 2 244.298 1.079 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2ncc3ccccn32)C1 ZINC001207048312 968576854 /nfs/dbraw/zinc/57/68/54/968576854.db2.gz JJENGQCUNOIKQF-GFCCVEGCSA-N 1 2 231.299 1.291 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2ncc3ccccn32)C1 ZINC001207048312 968576858 /nfs/dbraw/zinc/57/68/58/968576858.db2.gz JJENGQCUNOIKQF-GFCCVEGCSA-N 1 2 231.299 1.291 20 0 BDADLO O[C@@H]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207047899 968577441 /nfs/dbraw/zinc/57/74/41/968577441.db2.gz DMKKNTKVFNAIIN-CYBMUJFWSA-N 1 2 245.326 1.681 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc3ccccn32)CCCO1 ZINC001207048007 968581334 /nfs/dbraw/zinc/58/13/34/968581334.db2.gz DXOHPHOJWKXZNX-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc3ccccn32)CCCO1 ZINC001207048007 968581348 /nfs/dbraw/zinc/58/13/48/968581348.db2.gz DXOHPHOJWKXZNX-LBPRGKRZSA-N 1 2 245.326 1.945 20 0 BDADLO Cc1ncc(C[N@@H+]2CCCC23COC3)s1 ZINC001207061209 968591490 /nfs/dbraw/zinc/59/14/90/968591490.db2.gz IILNTEXNBZCCOF-UHFFFAOYSA-N 1 2 224.329 1.816 20 0 BDADLO CCCC[C@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001252112024 968596057 /nfs/dbraw/zinc/59/60/57/968596057.db2.gz HNYRKBJQGXEHGN-RYUDHWBXSA-N 1 2 245.363 1.715 20 0 BDADLO CC1(C)C[N@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207065670 968598128 /nfs/dbraw/zinc/59/81/28/968598128.db2.gz ULSJSXAYHKPRAY-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO CC1(C)C[N@@H+](Cc2cccc(=O)[nH]2)CCO1 ZINC001207065670 968598130 /nfs/dbraw/zinc/59/81/30/968598130.db2.gz ULSJSXAYHKPRAY-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO COc1c[nH+]c(NCC2COC2)c(C)c1 ZINC001154634467 968614969 /nfs/dbraw/zinc/61/49/69/968614969.db2.gz WAJUCGIHRQBSCV-UHFFFAOYSA-N 1 2 208.261 1.457 20 0 BDADLO COc1ccnc([C@H](C)[NH2+]Cc2cnnn2C)c1 ZINC000824835821 968621405 /nfs/dbraw/zinc/62/14/05/968621405.db2.gz WZHCSBCCUCEFRE-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CCn1cc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001240654228 968625152 /nfs/dbraw/zinc/62/51/52/968625152.db2.gz WEENBCRIWJQECR-UHFFFAOYSA-N 1 2 228.299 1.966 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ncc(F)cc2F)C[C@H]1O ZINC001207092578 968625922 /nfs/dbraw/zinc/62/59/22/968625922.db2.gz FOTWMZFTZKHXMX-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ncc(F)cc2F)C[C@H]1O ZINC001207092578 968625929 /nfs/dbraw/zinc/62/59/29/968625929.db2.gz FOTWMZFTZKHXMX-PRHODGIISA-N 1 2 242.269 1.563 20 0 BDADLO COC(=O)[C@H]([NH2+]CC(C)(C)O)C1CCCCC1 ZINC001252346309 968626568 /nfs/dbraw/zinc/62/65/68/968626568.db2.gz SZKPWJRAEUJHFY-LLVKDONJSA-N 1 2 243.347 1.469 20 0 BDADLO CCn1ccc(C[NH+]2CC(COC)(C3CC3)C2)n1 ZINC001207103694 968633722 /nfs/dbraw/zinc/63/37/22/968633722.db2.gz ZVOWHJGBWFRFRV-UHFFFAOYSA-N 1 2 249.358 1.761 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000825662706 968653732 /nfs/dbraw/zinc/65/37/32/968653732.db2.gz VPXWOAFFKAOGNJ-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCc2c(cnn2C)C1 ZINC001207147034 968657071 /nfs/dbraw/zinc/65/70/71/968657071.db2.gz WVQGXOZXLIXOOU-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCn1ccnc1C[N@H+]1CCc2c(cnn2C)C1 ZINC001207147034 968657079 /nfs/dbraw/zinc/65/70/79/968657079.db2.gz WVQGXOZXLIXOOU-UHFFFAOYSA-N 1 2 245.330 1.195 20 0 BDADLO CCN(Cc1cccnc1C)C1C[NH+](C)C1 ZINC001207154976 968664718 /nfs/dbraw/zinc/66/47/18/968664718.db2.gz ZPKCIHRJYSZJME-UHFFFAOYSA-N 1 2 219.332 1.526 20 0 BDADLO Cc1nccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001207163694 968670377 /nfs/dbraw/zinc/67/03/77/968670377.db2.gz MWUIZAPSRSWNHA-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO Cc1nccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)n1 ZINC001207163694 968670382 /nfs/dbraw/zinc/67/03/82/968670382.db2.gz MWUIZAPSRSWNHA-KCJUWKMLSA-N 1 2 209.268 1.575 20 0 BDADLO CC(C)(CNC(=O)[C@H]1CCC=CO1)n1cc[nH+]c1 ZINC000827721970 968701670 /nfs/dbraw/zinc/70/16/70/968701670.db2.gz SMDJCEMSZPSZEV-LLVKDONJSA-N 1 2 249.314 1.427 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2CCSC2)[nH+]c1C ZINC000827763813 968708115 /nfs/dbraw/zinc/70/81/15/968708115.db2.gz PPECNKCUSSOHQT-VIFPVBQESA-N 1 2 239.344 1.396 20 0 BDADLO CCOC(=O)C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001207417469 968760687 /nfs/dbraw/zinc/76/06/87/968760687.db2.gz QMFHUCVMAYJREE-SNVBAGLBSA-N 1 2 245.294 1.143 20 0 BDADLO COc1ccccc1CC[N@@H+]1CCNC(=O)[C@H]1C ZINC001207456812 968777474 /nfs/dbraw/zinc/77/74/74/968777474.db2.gz XNRHSPVEQHVLRF-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO COc1ccccc1CC[N@H+]1CCNC(=O)[C@H]1C ZINC001207456812 968777479 /nfs/dbraw/zinc/77/74/79/968777479.db2.gz XNRHSPVEQHVLRF-LLVKDONJSA-N 1 2 248.326 1.058 20 0 BDADLO O=C1CCC[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1F ZINC001207460726 968780284 /nfs/dbraw/zinc/78/02/84/968780284.db2.gz GWXQYXBKYSULNJ-QWRGUYRKSA-N 1 2 229.295 1.416 20 0 BDADLO O=C1CCC[N@H+](C[C@@H]2CCCOC2)C[C@@H]1F ZINC001207460726 968780288 /nfs/dbraw/zinc/78/02/88/968780288.db2.gz GWXQYXBKYSULNJ-QWRGUYRKSA-N 1 2 229.295 1.416 20 0 BDADLO COc1ccc(CCC[N@@H+]2CCNC(=O)C2)cc1 ZINC001207572085 968824834 /nfs/dbraw/zinc/82/48/34/968824834.db2.gz IEGRCFOUSNYWMP-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO COc1ccc(CCC[N@H+]2CCNC(=O)C2)cc1 ZINC001207572085 968824837 /nfs/dbraw/zinc/82/48/37/968824837.db2.gz IEGRCFOUSNYWMP-UHFFFAOYSA-N 1 2 248.326 1.060 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207627672 968843285 /nfs/dbraw/zinc/84/32/85/968843285.db2.gz DADDICGVGDWONO-MQLXINIDSA-N 1 2 247.338 1.631 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207627672 968843287 /nfs/dbraw/zinc/84/32/87/968843287.db2.gz DADDICGVGDWONO-MQLXINIDSA-N 1 2 247.338 1.631 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085764902 968847307 /nfs/dbraw/zinc/84/73/07/968847307.db2.gz JAIZBZIETMKJLY-GMTAPVOTSA-N 1 2 228.311 1.145 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085764902 968847309 /nfs/dbraw/zinc/84/73/09/968847309.db2.gz JAIZBZIETMKJLY-GMTAPVOTSA-N 1 2 228.311 1.145 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001085827856 968855180 /nfs/dbraw/zinc/85/51/80/968855180.db2.gz DHTQACZWYGALPA-GRYCIOLGSA-N 1 2 242.338 1.535 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001085827856 968855185 /nfs/dbraw/zinc/85/51/85/968855185.db2.gz DHTQACZWYGALPA-GRYCIOLGSA-N 1 2 242.338 1.535 20 0 BDADLO CC1(C[N@@H+]2CCC[C@@H](F)C(=O)C2)COC1 ZINC001207791692 968885263 /nfs/dbraw/zinc/88/52/63/968885263.db2.gz ZJADTKSJCULKBL-SECBINFHSA-N 1 2 215.268 1.026 20 0 BDADLO CC1(C[N@H+]2CCC[C@@H](F)C(=O)C2)COC1 ZINC001207791692 968885267 /nfs/dbraw/zinc/88/52/67/968885267.db2.gz ZJADTKSJCULKBL-SECBINFHSA-N 1 2 215.268 1.026 20 0 BDADLO C[N@@H+]1CCO[C@H](CNc2cc(Cl)ccn2)C1 ZINC001155192969 968925208 /nfs/dbraw/zinc/92/52/08/968925208.db2.gz AWLHMENAZYACFD-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCO[C@H](CNc2cc(Cl)ccn2)C1 ZINC001155192969 968925211 /nfs/dbraw/zinc/92/52/11/968925211.db2.gz AWLHMENAZYACFD-SNVBAGLBSA-N 1 2 241.722 1.478 20 0 BDADLO Cc1ccc(CCC[N@H+]2CC(=O)NC[C@H]2C)o1 ZINC001207949103 968946157 /nfs/dbraw/zinc/94/61/57/968946157.db2.gz DOLRGTVJNLZJFL-SNVBAGLBSA-N 1 2 236.315 1.341 20 0 BDADLO Cc1ccc(CCC[N@@H+]2CC(=O)NC[C@H]2C)o1 ZINC001207949103 968946161 /nfs/dbraw/zinc/94/61/61/968946161.db2.gz DOLRGTVJNLZJFL-SNVBAGLBSA-N 1 2 236.315 1.341 20 0 BDADLO O=C1C[N@@H+](CCCn2cccn2)CCC[C@H]1F ZINC001208082503 968984522 /nfs/dbraw/zinc/98/45/22/968984522.db2.gz PGRQRBJQPJSNJM-LLVKDONJSA-N 1 2 239.294 1.276 20 0 BDADLO O=C1C[N@H+](CCCn2cccn2)CCC[C@H]1F ZINC001208082503 968984528 /nfs/dbraw/zinc/98/45/28/968984528.db2.gz PGRQRBJQPJSNJM-LLVKDONJSA-N 1 2 239.294 1.276 20 0 BDADLO COC[C@@H](O)CNc1ccc(C)[nH+]c1C ZINC001252809505 968997740 /nfs/dbraw/zinc/99/77/40/968997740.db2.gz KJZQWMIMBQDODW-JTQLQIEISA-N 1 2 210.277 1.118 20 0 BDADLO O=C1CCc2cc(-c3[nH]cc[nH+]3)ccc2O1 ZINC001242014102 969166990 /nfs/dbraw/zinc/16/69/90/969166990.db2.gz CZHUBYUKGILOBJ-UHFFFAOYSA-N 1 2 214.224 1.928 20 0 BDADLO c1cn(-c2ccc(-c3[nH]cc[nH+]3)cc2)nn1 ZINC001242014584 969167796 /nfs/dbraw/zinc/16/77/96/969167796.db2.gz ODLWNNMJMYBFGL-UHFFFAOYSA-N 1 2 211.228 1.657 20 0 BDADLO Nc1[nH+]c(NC[C@H]2CCC(=O)N2)ccc1Cl ZINC001156154811 969203068 /nfs/dbraw/zinc/20/30/68/969203068.db2.gz UDFYWRBVJNHWLU-ZCFIWIBFSA-N 1 2 240.694 1.008 20 0 BDADLO CCCCC[C@@H](O)C[N@H+](C)CC(=O)OCC ZINC001253530026 969203631 /nfs/dbraw/zinc/20/36/31/969203631.db2.gz VARUUAUWZRMYAW-LLVKDONJSA-N 1 2 231.336 1.423 20 0 BDADLO CCCCC[C@@H](O)C[N@@H+](C)CC(=O)OCC ZINC001253530026 969203636 /nfs/dbraw/zinc/20/36/36/969203636.db2.gz VARUUAUWZRMYAW-LLVKDONJSA-N 1 2 231.336 1.423 20 0 BDADLO CCCCC[C@@H](O)C[N@@H+]1CCn2nccc2C1 ZINC001253541320 969215962 /nfs/dbraw/zinc/21/59/62/969215962.db2.gz LBMOALUALMUKJV-CYBMUJFWSA-N 1 2 237.347 1.640 20 0 BDADLO CCCCC[C@@H](O)C[N@H+]1CCn2nccc2C1 ZINC001253541320 969215969 /nfs/dbraw/zinc/21/59/69/969215969.db2.gz LBMOALUALMUKJV-CYBMUJFWSA-N 1 2 237.347 1.640 20 0 BDADLO CC(C)Oc1cc(NCCn2cnnc2)cc[nH+]1 ZINC001168871135 969241807 /nfs/dbraw/zinc/24/18/07/969241807.db2.gz FIIZSPYQPKEFEJ-UHFFFAOYSA-N 1 2 247.302 1.572 20 0 BDADLO COCOCCC[N@@H+]1CCc2oc(C)nc2C1 ZINC001209033528 969326337 /nfs/dbraw/zinc/32/63/37/969326337.db2.gz PPLPKLDPBLLZRL-UHFFFAOYSA-N 1 2 240.303 1.352 20 0 BDADLO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCc1cccs1 ZINC001209224891 969411564 /nfs/dbraw/zinc/41/15/64/969411564.db2.gz NXZULGPJTMUUQC-WPRPVWTQSA-N 1 2 242.319 1.188 20 0 BDADLO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCc1cccs1 ZINC001209224891 969411567 /nfs/dbraw/zinc/41/15/67/969411567.db2.gz NXZULGPJTMUUQC-WPRPVWTQSA-N 1 2 242.319 1.188 20 0 BDADLO c1ccc(OCC[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001209299135 969429816 /nfs/dbraw/zinc/42/98/16/969429816.db2.gz YXEKESKFRGEJSN-BETUJISGSA-N 1 2 219.284 1.539 20 0 BDADLO c1ccc(OCC[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001209299135 969429818 /nfs/dbraw/zinc/42/98/18/969429818.db2.gz YXEKESKFRGEJSN-BETUJISGSA-N 1 2 219.284 1.539 20 0 BDADLO F[C@@H]1C[N@@H+](CCCC2OCCO2)C[C@@H]1F ZINC001209304434 969431016 /nfs/dbraw/zinc/43/10/16/969431016.db2.gz RJXPORWZSLUWBH-DTORHVGOSA-N 1 2 221.247 1.131 20 0 BDADLO F[C@@H]1C[N@H+](CCCC2OCCO2)C[C@@H]1F ZINC001209304434 969431020 /nfs/dbraw/zinc/43/10/20/969431020.db2.gz RJXPORWZSLUWBH-DTORHVGOSA-N 1 2 221.247 1.131 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](Nc2c[nH+]cc(C)c2C)CN1 ZINC001169132520 969438692 /nfs/dbraw/zinc/43/86/92/969438692.db2.gz OSYSIWCNTBIOFV-MNOVXSKESA-N 1 2 249.314 1.014 20 0 BDADLO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209413709 969482133 /nfs/dbraw/zinc/48/21/33/969482133.db2.gz DWJUVXFBZSTWJN-UTLUCORTSA-N 1 2 219.275 1.592 20 0 BDADLO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209413709 969482136 /nfs/dbraw/zinc/48/21/36/969482136.db2.gz DWJUVXFBZSTWJN-UTLUCORTSA-N 1 2 219.275 1.592 20 0 BDADLO COc1cc(C[N@H+](C)CCF)cc(F)c1O ZINC001209538615 969534011 /nfs/dbraw/zinc/53/40/11/969534011.db2.gz WYMGCXCUCFPJQV-UHFFFAOYSA-N 1 2 231.242 1.941 20 0 BDADLO COc1cc(C[N@@H+](C)CCF)cc(F)c1O ZINC001209538615 969534018 /nfs/dbraw/zinc/53/40/18/969534018.db2.gz WYMGCXCUCFPJQV-UHFFFAOYSA-N 1 2 231.242 1.941 20 0 BDADLO C[NH+](C)Cc1cn(-c2ccc(O)cc2)nn1 ZINC001254164446 969534462 /nfs/dbraw/zinc/53/44/62/969534462.db2.gz SPTQIDAUOGNLHS-UHFFFAOYSA-N 1 2 218.260 1.035 20 0 BDADLO FC1(F)CO[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001209568312 969550581 /nfs/dbraw/zinc/55/05/81/969550581.db2.gz PMUFYJRTVSSTRE-SNVBAGLBSA-N 1 2 244.241 1.675 20 0 BDADLO FC1(F)CO[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001209568312 969550588 /nfs/dbraw/zinc/55/05/88/969550588.db2.gz PMUFYJRTVSSTRE-SNVBAGLBSA-N 1 2 244.241 1.675 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)[nH]1 ZINC001209572030 969554237 /nfs/dbraw/zinc/55/42/37/969554237.db2.gz AYYBMWYLEYIJTA-UHFFFAOYSA-N 1 2 221.304 1.034 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC23CC3)[nH]1 ZINC001209579169 969561858 /nfs/dbraw/zinc/56/18/58/969561858.db2.gz SIFCVQZUJHOETC-UHFFFAOYSA-N 1 2 206.289 1.688 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC23CC3)[nH]1 ZINC001209579169 969561862 /nfs/dbraw/zinc/56/18/62/969561862.db2.gz SIFCVQZUJHOETC-UHFFFAOYSA-N 1 2 206.289 1.688 20 0 BDADLO OC1C[NH+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209690678 969577575 /nfs/dbraw/zinc/57/75/75/969577575.db2.gz WMDKMXPSPQOXNM-UHFFFAOYSA-N 1 2 220.247 1.484 20 0 BDADLO COC(=O)CCN(Cc1c[nH+]ccc1N)C1CC1 ZINC001209732902 969594169 /nfs/dbraw/zinc/59/41/69/969594169.db2.gz NBASLBCMVUTPIK-UHFFFAOYSA-N 1 2 249.314 1.022 20 0 BDADLO c1cc([C@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)ccn1 ZINC001254385896 969603891 /nfs/dbraw/zinc/60/38/91/969603891.db2.gz KEOLOQWRXUVARN-ZIAGYGMSSA-N 1 2 248.326 1.634 20 0 BDADLO c1cc([C@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)ccn1 ZINC001254385896 969603892 /nfs/dbraw/zinc/60/38/92/969603892.db2.gz KEOLOQWRXUVARN-ZIAGYGMSSA-N 1 2 248.326 1.634 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnccn1)C2 ZINC001209786838 969622916 /nfs/dbraw/zinc/62/29/16/969622916.db2.gz JSMCWVFHABDTLE-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnccn1)C2 ZINC001209786838 969622922 /nfs/dbraw/zinc/62/29/22/969622922.db2.gz JSMCWVFHABDTLE-RYUDHWBXSA-N 1 2 219.288 1.230 20 0 BDADLO O=C1C[N@@H+](C2CCC3(CC3)CC2)CCO1 ZINC001254448970 969639646 /nfs/dbraw/zinc/63/96/46/969639646.db2.gz GORDYQLDWPPRFQ-UHFFFAOYSA-N 1 2 209.289 1.568 20 0 BDADLO O=C1C[N@H+](C2CCC3(CC3)CC2)CCO1 ZINC001254448970 969639654 /nfs/dbraw/zinc/63/96/54/969639654.db2.gz GORDYQLDWPPRFQ-UHFFFAOYSA-N 1 2 209.289 1.568 20 0 BDADLO CC[NH+]1CC(OCC(=O)Oc2ccccc2)C1 ZINC001209941120 969695084 /nfs/dbraw/zinc/69/50/84/969695084.db2.gz AMQRSANXNKIDKQ-UHFFFAOYSA-N 1 2 235.283 1.313 20 0 BDADLO C[C@H]([NH2+]c1cccc(=O)n1C)c1cnccn1 ZINC001169533421 969728701 /nfs/dbraw/zinc/72/87/01/969728701.db2.gz NOBDMIWSOSABSR-VIFPVBQESA-N 1 2 230.271 1.348 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccn2ccnc2c1 ZINC001169653052 969800126 /nfs/dbraw/zinc/80/01/26/969800126.db2.gz DTAXNGFXAMGZCD-LBPRGKRZSA-N 1 2 246.314 1.077 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccn2ccnc2c1 ZINC001169653052 969800131 /nfs/dbraw/zinc/80/01/31/969800131.db2.gz DTAXNGFXAMGZCD-LBPRGKRZSA-N 1 2 246.314 1.077 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1cnc2c(c1)CCC2 ZINC001169653684 969801779 /nfs/dbraw/zinc/80/17/79/969801779.db2.gz JMBFMGXIWYQGGK-CYBMUJFWSA-N 1 2 247.342 1.313 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1cnc2c(c1)CCC2 ZINC001169653684 969801783 /nfs/dbraw/zinc/80/17/83/969801783.db2.gz JMBFMGXIWYQGGK-CYBMUJFWSA-N 1 2 247.342 1.313 20 0 BDADLO CC(C)OC(=O)C[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254921916 969822001 /nfs/dbraw/zinc/82/20/01/969822001.db2.gz IPCBQQGTRYZXIF-UWVGGRQHSA-N 1 2 239.315 1.285 20 0 BDADLO CO[C@H]1CCCC[C@@H]1OCC[NH+]1CCOCC1 ZINC001210224544 969837462 /nfs/dbraw/zinc/83/74/62/969837462.db2.gz AMWYXGRAPKTLEJ-STQMWFEESA-N 1 2 243.347 1.293 20 0 BDADLO CCN(C)c1cc(NC[C@H](C)OC)[nH+]cn1 ZINC001169773393 969846548 /nfs/dbraw/zinc/84/65/48/969846548.db2.gz YWBDSWVXGSCBSB-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO CCN(C)c1cc(NC[C@H](C)OC)nc[nH+]1 ZINC001169773393 969846549 /nfs/dbraw/zinc/84/65/49/969846549.db2.gz YWBDSWVXGSCBSB-VIFPVBQESA-N 1 2 224.308 1.380 20 0 BDADLO Cc1nccc(Nc2c[nH+]c(C)c(N)c2)n1 ZINC001210286218 969853848 /nfs/dbraw/zinc/85/38/48/969853848.db2.gz YEHJJTUFGXHKKN-UHFFFAOYSA-N 1 2 215.260 1.814 20 0 BDADLO CCc1nnc([C@H]2CC3CC[NH+]2CC3)o1 ZINC001255050343 969865789 /nfs/dbraw/zinc/86/57/89/969865789.db2.gz CMAZOFQQSWARIY-SECBINFHSA-N 1 2 207.277 1.789 20 0 BDADLO CS(=O)(=O)C1CCC([N@@H+]2CC[C@H](F)C2)CC1 ZINC001169877097 969874004 /nfs/dbraw/zinc/87/40/04/969874004.db2.gz VRVNXNGMVNOFBP-WHXUTIOJSA-N 1 2 249.351 1.386 20 0 BDADLO CS(=O)(=O)C1CCC([N@H+]2CC[C@H](F)C2)CC1 ZINC001169877097 969874006 /nfs/dbraw/zinc/87/40/06/969874006.db2.gz VRVNXNGMVNOFBP-WHXUTIOJSA-N 1 2 249.351 1.386 20 0 BDADLO Nc1[nH+]ccc(F)c1NCCc1cncs1 ZINC001169864131 969875819 /nfs/dbraw/zinc/87/58/19/969875819.db2.gz SRKVOZHEMFOLEK-UHFFFAOYSA-N 1 2 238.291 1.914 20 0 BDADLO CCc1nnc(Cc2c[nH+]c3ccccn23)o1 ZINC001255097178 969936339 /nfs/dbraw/zinc/93/63/39/969936339.db2.gz UPBLBNMRWQJJIP-UHFFFAOYSA-N 1 2 228.255 1.871 20 0 BDADLO C[NH2+][C@H]1CCN1C(F)(F)c1ccc(Cl)nn1 ZINC001156649242 969964447 /nfs/dbraw/zinc/96/44/47/969964447.db2.gz WYDAEBZWVHXIAJ-MRVPVSSYSA-N 1 2 248.664 1.431 20 0 BDADLO Nc1cncc(-c2cc[nH+]c3c2CCN3)c1 ZINC001242502880 969979525 /nfs/dbraw/zinc/97/95/25/969979525.db2.gz JPCSXIKTUAPNQF-UHFFFAOYSA-N 1 2 212.256 1.694 20 0 BDADLO Cc1c[nH+]cc(Nc2cc(=O)n(C)c(=O)[nH]2)c1C ZINC001169999947 969984541 /nfs/dbraw/zinc/98/45/41/969984541.db2.gz XSCLFJQWGBRHOG-UHFFFAOYSA-N 1 2 246.270 1.241 20 0 BDADLO C[NH+](C)C1(c2nnc(C3CCC3)o2)CC1 ZINC001255209458 970007152 /nfs/dbraw/zinc/00/71/52/970007152.db2.gz JONXNXFWAKKRCH-UHFFFAOYSA-N 1 2 207.277 1.888 20 0 BDADLO CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109747209 970018902 /nfs/dbraw/zinc/01/89/02/970018902.db2.gz FQCOFKWXJIAWIW-LLVKDONJSA-N 1 2 234.303 1.112 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@@H+]1[C@H]1CCSC1 ZINC001255282597 970035784 /nfs/dbraw/zinc/03/57/84/970035784.db2.gz RQEJMPYPQHALAX-DTWKUNHWSA-N 1 2 237.315 1.584 20 0 BDADLO C[C@]1(CO)CC(F)(F)C[N@H+]1[C@H]1CCSC1 ZINC001255282597 970035797 /nfs/dbraw/zinc/03/57/97/970035797.db2.gz RQEJMPYPQHALAX-DTWKUNHWSA-N 1 2 237.315 1.584 20 0 BDADLO CC1(C)CCC([N@@H+]2CCOC(=O)C2)CC1 ZINC001255308588 970075211 /nfs/dbraw/zinc/07/52/11/970075211.db2.gz VXZRIPPSWPBAST-UHFFFAOYSA-N 1 2 211.305 1.814 20 0 BDADLO CC1(C)CCC([N@H+]2CCOC(=O)C2)CC1 ZINC001255308588 970075228 /nfs/dbraw/zinc/07/52/28/970075228.db2.gz VXZRIPPSWPBAST-UHFFFAOYSA-N 1 2 211.305 1.814 20 0 BDADLO C[N@@H+]1CC[C@@H](N[C@H](CO)c2ccc(F)cc2)C1 ZINC001255411917 970130970 /nfs/dbraw/zinc/13/09/70/970130970.db2.gz DOQITSBGFZVAAE-CHWSQXEVSA-N 1 2 238.306 1.153 20 0 BDADLO C[N@H+]1CC[C@@H](N[C@H](CO)c2ccc(F)cc2)C1 ZINC001255411917 970130979 /nfs/dbraw/zinc/13/09/79/970130979.db2.gz DOQITSBGFZVAAE-CHWSQXEVSA-N 1 2 238.306 1.153 20 0 BDADLO Cn1c[nH+]cc1-c1cccc2c1CNC2=O ZINC001243069713 970253621 /nfs/dbraw/zinc/25/36/21/970253621.db2.gz XDAWEBSISIARSU-UHFFFAOYSA-N 1 2 213.240 1.331 20 0 BDADLO Cn1c[nH+]cc1-c1cccc(N2CCNC2=O)c1 ZINC001243069360 970264766 /nfs/dbraw/zinc/26/47/66/970264766.db2.gz QVDDNIQCSYJPDD-UHFFFAOYSA-N 1 2 242.282 1.617 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)CS(=O)(=O)C2 ZINC001243070782 970272099 /nfs/dbraw/zinc/27/20/99/970272099.db2.gz YFUQQUFIZYOUTR-UHFFFAOYSA-N 1 2 248.307 1.516 20 0 BDADLO COC(=O)[C@@H](N)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243071536 970277197 /nfs/dbraw/zinc/27/71/97/970277197.db2.gz VBKABDUUVMZNQN-LBPRGKRZSA-N 1 2 245.282 1.260 20 0 BDADLO Cn1c[nH+]cc1-c1cc2c(c(F)c1)C(=O)OC2 ZINC001243073106 970280264 /nfs/dbraw/zinc/28/02/64/970280264.db2.gz YUGUMPSBUJRCMG-UHFFFAOYSA-N 1 2 232.214 1.897 20 0 BDADLO CCOC(=O)C1([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC001170105561 970303729 /nfs/dbraw/zinc/30/37/29/970303729.db2.gz RMNQPJGQJILQBB-VHSXEESVSA-N 1 2 211.305 1.860 20 0 BDADLO C[C@H]1CCC[C@H](C)N1C(=O)C1(F)C[NH2+]C1 ZINC001157451047 970312412 /nfs/dbraw/zinc/31/24/12/970312412.db2.gz JTDMLVIILICBHV-IUCAKERBSA-N 1 2 214.284 1.087 20 0 BDADLO COC(OC)[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000301044410 970312655 /nfs/dbraw/zinc/31/26/55/970312655.db2.gz XPUNFXPTGNFFTJ-SSDOTTSWSA-N 1 2 247.726 1.171 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCOC2)o1 ZINC001255540081 970313817 /nfs/dbraw/zinc/31/38/17/970313817.db2.gz JZALRBYXNRKCAK-VHSXEESVSA-N 1 2 237.303 1.730 20 0 BDADLO C[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCOC2)o1 ZINC001255540081 970313830 /nfs/dbraw/zinc/31/38/30/970313830.db2.gz JZALRBYXNRKCAK-VHSXEESVSA-N 1 2 237.303 1.730 20 0 BDADLO Cc1c[nH+]cc(Nc2cnc(C(N)=O)cn2)c1C ZINC001213524951 970345705 /nfs/dbraw/zinc/34/57/05/970345705.db2.gz KJSQCMMCPORDOQ-UHFFFAOYSA-N 1 2 243.270 1.331 20 0 BDADLO CCC1(Nc2[nH+]c(C)nc3[nH]ccc32)COC1 ZINC001157532484 970413437 /nfs/dbraw/zinc/41/34/37/970413437.db2.gz ISQLOLYSGPJUBB-UHFFFAOYSA-N 1 2 232.287 1.857 20 0 BDADLO CCC1(Nc2ccc(Cl)c(N)[nH+]2)COC1 ZINC001157541482 970418284 /nfs/dbraw/zinc/41/82/84/970418284.db2.gz GFWITFBCJGMKCH-UHFFFAOYSA-N 1 2 227.695 1.908 20 0 BDADLO CCC1(CNc2[nH+]ccc(C)c2C(N)=O)COC1 ZINC001157542584 970423944 /nfs/dbraw/zinc/42/39/44/970423944.db2.gz PVJPGZJWICBILW-UHFFFAOYSA-N 1 2 249.314 1.327 20 0 BDADLO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001170153101 970471711 /nfs/dbraw/zinc/47/17/11/970471711.db2.gz OECSZDOGHZKMDD-OPRDCNLKSA-N 1 2 219.275 1.877 20 0 BDADLO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC001170153101 970471716 /nfs/dbraw/zinc/47/17/16/970471716.db2.gz OECSZDOGHZKMDD-OPRDCNLKSA-N 1 2 219.275 1.877 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+][C@H]2CC2(F)F)CCO1 ZINC001170164303 970515451 /nfs/dbraw/zinc/51/54/51/970515451.db2.gz HPYITBDKUPOBCE-YIZRAAEISA-N 1 2 205.248 1.941 20 0 BDADLO CNc1cc(N2CC[C@@H](C3CC3)C2)nc[nH+]1 ZINC000400180672 970559906 /nfs/dbraw/zinc/55/99/06/970559906.db2.gz VFTYTCFTOQAKEY-SNVBAGLBSA-N 1 2 218.304 1.755 20 0 BDADLO CNc1cc(N2CC[C@@H](C3CC3)C2)[nH+]cn1 ZINC000400180672 970559917 /nfs/dbraw/zinc/55/99/17/970559917.db2.gz VFTYTCFTOQAKEY-SNVBAGLBSA-N 1 2 218.304 1.755 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)co1 ZINC001206047925 970717597 /nfs/dbraw/zinc/71/75/97/970717597.db2.gz BKTGOLYGRBDLRQ-YPMHNXCESA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)co1 ZINC001206047925 970717610 /nfs/dbraw/zinc/71/76/10/970717610.db2.gz BKTGOLYGRBDLRQ-YPMHNXCESA-N 1 2 236.315 1.984 20 0 BDADLO Cc1nnc(C[NH2+][C@H]2CCCc3n[nH]cc32)s1 ZINC000401735601 970719246 /nfs/dbraw/zinc/71/92/46/970719246.db2.gz REOVLPVRGSAWCM-VIFPVBQESA-N 1 2 249.343 1.737 20 0 BDADLO COC1(C)C[NH+](Cc2cccc(O)c2C)C1 ZINC001144108504 972580598 /nfs/dbraw/zinc/58/05/98/972580598.db2.gz XURAVPYZEVRSOR-UHFFFAOYSA-N 1 2 221.300 1.921 20 0 BDADLO CCCOC[C@@H](C)OCc1c[nH+]cn1C ZINC001222594585 972590783 /nfs/dbraw/zinc/59/07/83/972590783.db2.gz HDPFLVYCEKFULD-SNVBAGLBSA-N 1 2 212.293 1.752 20 0 BDADLO Cc1cn2c(n1)[C@H](OCc1c[nH+]cn1C)CCC2 ZINC001222600633 972599032 /nfs/dbraw/zinc/59/90/32/972599032.db2.gz STUSLULKNHGDJZ-GFCCVEGCSA-N 1 2 246.314 1.977 20 0 BDADLO Cn1c[nH+]cc1CO[C@@H]1CCOC[C@@H]1F ZINC001222600631 972599383 /nfs/dbraw/zinc/59/93/83/972599383.db2.gz SRJGHCNLSPPPCI-VHSXEESVSA-N 1 2 214.240 1.064 20 0 BDADLO c1nnc(C[N@@H+]2CCSC3(CCC3)CC2)[nH]1 ZINC001327572771 972646329 /nfs/dbraw/zinc/64/63/29/972646329.db2.gz JHEPFMZFBAJVSI-UHFFFAOYSA-N 1 2 238.360 1.666 20 0 BDADLO c1nnc(C[N@H+]2CCSC3(CCC3)CC2)[nH]1 ZINC001327572771 972646336 /nfs/dbraw/zinc/64/63/36/972646336.db2.gz JHEPFMZFBAJVSI-UHFFFAOYSA-N 1 2 238.360 1.666 20 0 BDADLO c1nc(C[N@@H+]2CCSC3(CCC3)CC2)n[nH]1 ZINC001327572771 972646347 /nfs/dbraw/zinc/64/63/47/972646347.db2.gz JHEPFMZFBAJVSI-UHFFFAOYSA-N 1 2 238.360 1.666 20 0 BDADLO c1nc(C[N@H+]2CCSC3(CCC3)CC2)n[nH]1 ZINC001327572771 972646350 /nfs/dbraw/zinc/64/63/50/972646350.db2.gz JHEPFMZFBAJVSI-UHFFFAOYSA-N 1 2 238.360 1.666 20 0 BDADLO CC(C)C[C@H](O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001144168100 972663257 /nfs/dbraw/zinc/66/32/57/972663257.db2.gz QNABNEGFEMMKRB-ZDUSSCGKSA-N 1 2 248.326 1.338 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(O)cn1 ZINC001144253267 972713804 /nfs/dbraw/zinc/71/38/04/972713804.db2.gz PVMCKNLKGPBSBZ-RKDXNWHRSA-N 1 2 210.252 1.720 20 0 BDADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(O)cn1 ZINC001144253267 972713812 /nfs/dbraw/zinc/71/38/12/972713812.db2.gz PVMCKNLKGPBSBZ-RKDXNWHRSA-N 1 2 210.252 1.720 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001327719067 972714005 /nfs/dbraw/zinc/71/40/05/972714005.db2.gz BGNGIKUXLUHOEV-NWDGAFQWSA-N 1 2 247.342 1.991 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(O)cn1)C2 ZINC001144262601 972718847 /nfs/dbraw/zinc/71/88/47/972718847.db2.gz CPSOTWJKOJVQNJ-AAEUAGOBSA-N 1 2 234.299 1.541 20 0 BDADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(O)cn1)C2 ZINC001144262601 972718857 /nfs/dbraw/zinc/71/88/57/972718857.db2.gz CPSOTWJKOJVQNJ-AAEUAGOBSA-N 1 2 234.299 1.541 20 0 BDADLO c1c[nH]c(COC2C[NH+](Cc3ccccc3)C2)n1 ZINC001222877443 972720681 /nfs/dbraw/zinc/72/06/81/972720681.db2.gz GFWMFSJBLKPGOC-UHFFFAOYSA-N 1 2 243.310 1.811 20 0 BDADLO Cc1ncc(CSCCn2cc[nH+]c2)cn1 ZINC001327853526 972760129 /nfs/dbraw/zinc/76/01/29/972760129.db2.gz DIDLETKWQGIDEB-UHFFFAOYSA-N 1 2 234.328 1.915 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC23COC3)nc1 ZINC001144428607 972815636 /nfs/dbraw/zinc/81/56/36/972815636.db2.gz RLXAHWLZMFVPPG-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccc(C[N@H+]2CCCC23COC3)nc1 ZINC001144428607 972815642 /nfs/dbraw/zinc/81/56/42/972815642.db2.gz RLXAHWLZMFVPPG-UHFFFAOYSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ncc(C[NH+]2CC(C)C2)cc1F ZINC001144450999 972825659 /nfs/dbraw/zinc/82/56/59/972825659.db2.gz LGJVNYBXYXNMDF-UHFFFAOYSA-N 1 2 210.252 1.681 20 0 BDADLO OCC1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144616089 972896271 /nfs/dbraw/zinc/89/62/71/972896271.db2.gz NCFDECHEKQZXPA-UHFFFAOYSA-N 1 2 245.326 1.539 20 0 BDADLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](O)C1 ZINC001144745265 972982839 /nfs/dbraw/zinc/98/28/39/972982839.db2.gz VCYWVUKUOGZJDR-MRVPVSSYSA-N 1 2 243.253 1.540 20 0 BDADLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@@H](O)C1 ZINC001144745265 972982852 /nfs/dbraw/zinc/98/28/52/972982852.db2.gz VCYWVUKUOGZJDR-MRVPVSSYSA-N 1 2 243.253 1.540 20 0 BDADLO CCc1onc(C)c1NC(=O)Cc1[nH]cc[nH+]1 ZINC001328620196 973200097 /nfs/dbraw/zinc/20/00/97/973200097.db2.gz FARKZLMYEYMVQW-UHFFFAOYSA-N 1 2 234.259 1.450 20 0 BDADLO C[NH+]1CC(OCc2ncc3ccccc3n2)C1 ZINC001223798104 973285998 /nfs/dbraw/zinc/28/59/98/973285998.db2.gz OUBKLQTVQYSKBZ-UHFFFAOYSA-N 1 2 229.283 1.460 20 0 BDADLO C=CCC(CC=C)C(=O)NCCc1[nH+]ccn1C ZINC000127274473 973344394 /nfs/dbraw/zinc/34/43/94/973344394.db2.gz BOIZVNNBXNZWAR-UHFFFAOYSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CCO1 ZINC001329104944 973484773 /nfs/dbraw/zinc/48/47/73/973484773.db2.gz KAHOVJIIKDJITM-GMTAPVOTSA-N 1 2 249.314 1.259 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[C@@H]1C(F)F ZINC001329104981 973484992 /nfs/dbraw/zinc/48/49/92/973484992.db2.gz KGRKSPQDHUXRDE-FXQIFTODSA-N 1 2 241.241 1.345 20 0 BDADLO CC1(C)CC(=O)N1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC001329196377 973554028 /nfs/dbraw/zinc/55/40/28/973554028.db2.gz PPLBQTHYECBWKH-WDEREUQCSA-N 1 2 238.331 1.208 20 0 BDADLO CC1(C)CC(=O)N1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC001329196377 973554037 /nfs/dbraw/zinc/55/40/37/973554037.db2.gz PPLBQTHYECBWKH-WDEREUQCSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccnn1C ZINC001329307069 973660688 /nfs/dbraw/zinc/66/06/88/973660688.db2.gz NIFHILRZLMASNK-NXEZZACHSA-N 1 2 231.303 1.412 20 0 BDADLO FCCOC1C[NH+](Cc2ccccc2)C1 ZINC001224673288 973843948 /nfs/dbraw/zinc/84/39/48/973843948.db2.gz BBHGNKZUVDMCKF-UHFFFAOYSA-N 1 2 209.264 1.857 20 0 BDADLO C[C@H]1CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000585414917 973909823 /nfs/dbraw/zinc/90/98/23/973909823.db2.gz CNBZAICAQYQILG-JTQLQIEISA-N 1 2 220.320 1.779 20 0 BDADLO C[C@H]1CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000585414917 973909837 /nfs/dbraw/zinc/90/98/37/973909837.db2.gz CNBZAICAQYQILG-JTQLQIEISA-N 1 2 220.320 1.779 20 0 BDADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cnon3)C2)c1 ZINC000585640874 973916261 /nfs/dbraw/zinc/91/62/61/973916261.db2.gz ZSIAOETWHIZASI-LLVKDONJSA-N 1 2 233.275 1.022 20 0 BDADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cnon3)C2)c1 ZINC000585640874 973916273 /nfs/dbraw/zinc/91/62/73/973916273.db2.gz ZSIAOETWHIZASI-LLVKDONJSA-N 1 2 233.275 1.022 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC2CC2)C[N@@H+]1C ZINC001224761522 973926181 /nfs/dbraw/zinc/92/61/81/973926181.db2.gz PDDCLOGMNKKSLS-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO COC(=O)[C@@H]1C[C@@H](OCCC2CC2)C[N@H+]1C ZINC001224761522 973926195 /nfs/dbraw/zinc/92/61/95/973926195.db2.gz PDDCLOGMNKKSLS-MNOVXSKESA-N 1 2 227.304 1.049 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccnc2N(C)C)C[C@H](C)O1 ZINC001329777815 973926991 /nfs/dbraw/zinc/92/69/91/973926991.db2.gz GNTBOKXQBJLIOW-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccnc2N(C)C)C[C@H](C)O1 ZINC001329777815 973927007 /nfs/dbraw/zinc/92/70/07/973927007.db2.gz GNTBOKXQBJLIOW-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO CC(=O)Nc1ccc(C[NH2+]Cc2ccon2)cn1 ZINC001329800029 973941229 /nfs/dbraw/zinc/94/12/29/973941229.db2.gz MMDXMAVLJZBZFA-UHFFFAOYSA-N 1 2 246.270 1.318 20 0 BDADLO Cc1nc(NCCNC(=O)C2CCCC2)cc[nH+]1 ZINC001093449758 974015540 /nfs/dbraw/zinc/01/55/40/974015540.db2.gz NRLBVPMNQYBARS-UHFFFAOYSA-N 1 2 248.330 1.503 20 0 BDADLO CC[C@@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093483047 974025128 /nfs/dbraw/zinc/02/51/28/974025128.db2.gz ZARUWYGKNLCYTE-SECBINFHSA-N 1 2 236.319 1.359 20 0 BDADLO Cc1nc(NCCNC(=O)[C@@H](C)C2CC2)cc[nH+]1 ZINC001093538917 974027495 /nfs/dbraw/zinc/02/74/95/974027495.db2.gz HRQXXJLIELTRQS-VIFPVBQESA-N 1 2 248.330 1.359 20 0 BDADLO Cc1nc(NCCNC(=O)C2CC=CC2)cc[nH+]1 ZINC001093563037 974031810 /nfs/dbraw/zinc/03/18/10/974031810.db2.gz TWJRKUMPXPOHQE-UHFFFAOYSA-N 1 2 246.314 1.279 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Oc1ccccc1F ZINC001225201458 974222615 /nfs/dbraw/zinc/22/26/15/974222615.db2.gz OCFIVKQXGXGQOA-NSHDSACASA-N 1 2 239.290 1.925 20 0 BDADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccn1C1CC1 ZINC001330529803 974290797 /nfs/dbraw/zinc/29/07/97/974290797.db2.gz VKMHHGHEILGTRL-UHFFFAOYSA-N 1 2 247.342 1.533 20 0 BDADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccn1C1CC1 ZINC001330529803 974290817 /nfs/dbraw/zinc/29/08/17/974290817.db2.gz VKMHHGHEILGTRL-UHFFFAOYSA-N 1 2 247.342 1.533 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nc[nH]n2)[C@@H]2CCCC[C@H]21 ZINC001330558653 974315331 /nfs/dbraw/zinc/31/53/31/974315331.db2.gz HGAGYRNHCXZXBE-OUAUKWLOSA-N 1 2 220.320 1.815 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nc[nH]n2)[C@@H]2CCCC[C@H]21 ZINC001330558653 974315344 /nfs/dbraw/zinc/31/53/44/974315344.db2.gz HGAGYRNHCXZXBE-OUAUKWLOSA-N 1 2 220.320 1.815 20 0 BDADLO CC1=C[C@H](Oc2cc[nH+]cc2)CC(=O)O1 ZINC001225291702 974365901 /nfs/dbraw/zinc/36/59/01/974365901.db2.gz WNGLHSRQHGBDFQ-JTQLQIEISA-N 1 2 205.213 1.680 20 0 BDADLO c1cc(O[C@H]2CO[C@H]3OCC[C@@H]23)cc[nH+]1 ZINC001225291762 974367282 /nfs/dbraw/zinc/36/72/82/974367282.db2.gz YMAOXBBAFAKRNH-GARJFASQSA-N 1 2 207.229 1.222 20 0 BDADLO COC(=O)[C@@]1(C)C[C@@H](Oc2cc[nH+]cc2)C1 ZINC001225294071 974368829 /nfs/dbraw/zinc/36/88/29/974368829.db2.gz DUXGAYSETVCKFG-KLPPZKSPSA-N 1 2 221.256 1.802 20 0 BDADLO CCOC(=O)[C@H]1C[C@@H](Oc2cc[nH+]cc2)C1 ZINC001225295309 974371188 /nfs/dbraw/zinc/37/11/88/974371188.db2.gz KBLAVBRCVZSBEY-JGZJWPJOSA-N 1 2 221.256 1.802 20 0 BDADLO CCOC(=O)[C@H](CC)Oc1cc[nH+]cc1 ZINC001225296236 974372102 /nfs/dbraw/zinc/37/21/02/974372102.db2.gz RYQCXWUIHLZEQZ-JTQLQIEISA-N 1 2 209.245 1.802 20 0 BDADLO COC(=O)[C@@H](CC1CC1)[NH2+]CC1(OC)CCC1 ZINC001330638459 974377104 /nfs/dbraw/zinc/37/71/04/974377104.db2.gz GWPNJCPSLROKHI-LLVKDONJSA-N 1 2 241.331 1.487 20 0 BDADLO c1[nH+]cn2c1CN(Cc1coc(C3CC3)n1)CC2 ZINC001330638278 974379498 /nfs/dbraw/zinc/37/94/98/974379498.db2.gz LTPQABGZFNJLPL-UHFFFAOYSA-N 1 2 244.298 1.764 20 0 BDADLO CCOC(=O)C1([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172233033 974476380 /nfs/dbraw/zinc/47/63/80/974476380.db2.gz OXKNWBKYDRQORO-FGWVZKOKSA-N 1 2 237.299 1.158 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c(C)n1 ZINC001225430419 974485397 /nfs/dbraw/zinc/48/53/97/974485397.db2.gz AXFMYBVBYKJLPX-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c(C)n1 ZINC001225430419 974485399 /nfs/dbraw/zinc/48/53/99/974485399.db2.gz AXFMYBVBYKJLPX-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO C[NH+]1CC(Oc2cnc3sccc3c2)C1 ZINC001225445979 974494712 /nfs/dbraw/zinc/49/47/12/974494712.db2.gz SJEUJWQZNBPQEW-UHFFFAOYSA-N 1 2 220.297 1.989 20 0 BDADLO C[N@@H+]1CCC[C@@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225560423 974554491 /nfs/dbraw/zinc/55/44/91/974554491.db2.gz WLUUCEMTDZMJNT-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO C[N@H+]1CCC[C@@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225560423 974554494 /nfs/dbraw/zinc/55/44/94/974554494.db2.gz WLUUCEMTDZMJNT-SSDOTTSWSA-N 1 2 243.694 1.309 20 0 BDADLO Cc1nc2c(o1)CC[N@@H+]([C@@H]1COC(C)(C)C1)C2 ZINC001172293930 974560263 /nfs/dbraw/zinc/56/02/63/974560263.db2.gz YWLPTIRQAYZVPA-JTQLQIEISA-N 1 2 236.315 1.909 20 0 BDADLO Cc1nc2c(o1)CC[N@H+]([C@@H]1COC(C)(C)C1)C2 ZINC001172293930 974560269 /nfs/dbraw/zinc/56/02/69/974560269.db2.gz YWLPTIRQAYZVPA-JTQLQIEISA-N 1 2 236.315 1.909 20 0 BDADLO CO[C@@H](C[NH2+][C@H](C)c1noc(C)n1)C1CC1 ZINC001331027766 974566493 /nfs/dbraw/zinc/56/64/93/974566493.db2.gz SRDFJIPRHUOAMC-XCBNKYQSSA-N 1 2 225.292 1.454 20 0 BDADLO C[NH+]1CC(Oc2ccc3cccnc3c2)C1 ZINC001225648177 974620843 /nfs/dbraw/zinc/62/08/43/974620843.db2.gz YANZJYAHKKXVQL-UHFFFAOYSA-N 1 2 214.268 1.928 20 0 BDADLO CC[C@H](CC(C)C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172403097 974654424 /nfs/dbraw/zinc/65/44/24/974654424.db2.gz YBKQLWUXULIONQ-YPMHNXCESA-N 1 2 243.347 1.733 20 0 BDADLO C[C@@H](C(=O)N1CC[C@H](CF)C1)n1cc[nH+]c1 ZINC001331259034 974664256 /nfs/dbraw/zinc/66/42/56/974664256.db2.gz WPGRQDDDDBJOTF-VHSXEESVSA-N 1 2 225.267 1.262 20 0 BDADLO C[N@@H+]1CCC12CN(c1ncccc1F)C2 ZINC001277070097 974671186 /nfs/dbraw/zinc/67/11/86/974671186.db2.gz PPBAEZJOOOYWHK-UHFFFAOYSA-N 1 2 207.252 1.115 20 0 BDADLO C[N@H+]1CCC12CN(c1ncccc1F)C2 ZINC001277070097 974671189 /nfs/dbraw/zinc/67/11/89/974671189.db2.gz PPBAEZJOOOYWHK-UHFFFAOYSA-N 1 2 207.252 1.115 20 0 BDADLO CC[NH+]1CC(Oc2ccnc(Cl)c2)C1 ZINC001225779531 974679966 /nfs/dbraw/zinc/67/99/66/974679966.db2.gz SLDPMNALJRXUPI-UHFFFAOYSA-N 1 2 212.680 1.818 20 0 BDADLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)oc1C ZINC001331478287 974738313 /nfs/dbraw/zinc/73/83/13/974738313.db2.gz JIPVMHVJASBBCB-SNVBAGLBSA-N 1 2 245.282 1.968 20 0 BDADLO CCOC(=O)[C@@H]([NH2+][C@@H](CC)CC(C)C)[C@@H](C)O ZINC001172390724 974740574 /nfs/dbraw/zinc/74/05/74/974740574.db2.gz WXJVEOIIHVVNDR-WOPDTQHZSA-N 1 2 245.363 1.713 20 0 BDADLO CC[NH+]1CC(Oc2ccccc2NC(C)=O)C1 ZINC001226051302 974770800 /nfs/dbraw/zinc/77/08/00/974770800.db2.gz WAXMCDTZZQSIEC-UHFFFAOYSA-N 1 2 234.299 1.728 20 0 BDADLO CC(C)OCC[C@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001172445043 974804007 /nfs/dbraw/zinc/80/40/07/974804007.db2.gz WPSKWBFIUMMWTB-NSHDSACASA-N 1 2 235.331 1.996 20 0 BDADLO CC(C)OCC[C@H](C)[N@H+]1Cc2cncnc2C1 ZINC001172445043 974804009 /nfs/dbraw/zinc/80/40/09/974804009.db2.gz WPSKWBFIUMMWTB-NSHDSACASA-N 1 2 235.331 1.996 20 0 BDADLO CC[C@@H]1C[C@H](c2nnc(C[NH+](C)C)o2)CCO1 ZINC001331890455 974852099 /nfs/dbraw/zinc/85/20/99/974852099.db2.gz OQLADSMKCBSRJF-NXEZZACHSA-N 1 2 239.319 1.804 20 0 BDADLO CNc1ccccc1C[NH+]1CC(OC)C1 ZINC001206173742 974900861 /nfs/dbraw/zinc/90/08/61/974900861.db2.gz ASCKKOUDGGXOEY-UHFFFAOYSA-N 1 2 206.289 1.559 20 0 BDADLO Cn1ncc2c1C[N@H+](Cc1ccc(O)cc1)CC2 ZINC001204096180 974902174 /nfs/dbraw/zinc/90/21/74/974902174.db2.gz IYBIFIPUUOLYDQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1ncc2c1C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC001204096180 974902178 /nfs/dbraw/zinc/90/21/78/974902178.db2.gz IYBIFIPUUOLYDQ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CCCOC(=O)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172931470 974981257 /nfs/dbraw/zinc/98/12/57/974981257.db2.gz UKKIHINWKFSSBG-GHMZBOCLSA-N 1 2 229.320 1.487 20 0 BDADLO CCc1nc(N(C)[C@@H](C)C[S@@](C)=O)cc[nH+]1 ZINC001332265184 975037452 /nfs/dbraw/zinc/03/74/52/975037452.db2.gz BJUURSMOYVCGCY-XXFAHNHDSA-N 1 2 241.360 1.242 20 0 BDADLO CCCOC1CCC([N@@H+]2CCC(=O)C2)CC1 ZINC001173099674 975040785 /nfs/dbraw/zinc/04/07/85/975040785.db2.gz OPRWMNPJTTWBNM-UHFFFAOYSA-N 1 2 225.332 1.999 20 0 BDADLO CCCOC1CCC([N@H+]2CCC(=O)C2)CC1 ZINC001173099674 975040794 /nfs/dbraw/zinc/04/07/94/975040794.db2.gz OPRWMNPJTTWBNM-UHFFFAOYSA-N 1 2 225.332 1.999 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001332297150 975044393 /nfs/dbraw/zinc/04/43/93/975044393.db2.gz OCZFJRWYDWQKIX-RWMBFGLXSA-N 1 2 247.342 1.968 20 0 BDADLO COc1cccc2c1C[C@H]([N@H+](C)CC(C)=O)CO2 ZINC001173152726 975049458 /nfs/dbraw/zinc/04/94/58/975049458.db2.gz RMLUVEQJPKQXKD-NSHDSACASA-N 1 2 249.310 1.520 20 0 BDADLO COc1cccc2c1C[C@H]([N@@H+](C)CC(C)=O)CO2 ZINC001173152726 975049465 /nfs/dbraw/zinc/04/94/65/975049465.db2.gz RMLUVEQJPKQXKD-NSHDSACASA-N 1 2 249.310 1.520 20 0 BDADLO CC(C)[NH+]1CC(Oc2cc(F)ccn2)C1 ZINC001226768527 975067676 /nfs/dbraw/zinc/06/76/76/975067676.db2.gz OHSHTIOQBMJTHY-UHFFFAOYSA-N 1 2 210.252 1.692 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]C[C@](C)(O)C(F)F)o1 ZINC001332366353 975075999 /nfs/dbraw/zinc/07/59/99/975075999.db2.gz XJAANONELOTFCJ-CDUCUWFYSA-N 1 2 235.234 1.045 20 0 BDADLO CCCC[C@@H](CC(C)C)[NH2+][C@H](CO)C(=O)OC ZINC001173247553 975086324 /nfs/dbraw/zinc/08/63/24/975086324.db2.gz WQHPIZIDKNAFTN-NWDGAFQWSA-N 1 2 245.363 1.715 20 0 BDADLO C[C@@H](C(=O)NC(C)(C)c1ncc[nH]1)n1cc[nH+]c1 ZINC001332644013 975238112 /nfs/dbraw/zinc/23/81/12/975238112.db2.gz WUGCDAYTLIOVRQ-VIFPVBQESA-N 1 2 247.302 1.219 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H](C)O ZINC001332739824 975277066 /nfs/dbraw/zinc/27/70/66/975277066.db2.gz XGDPKFZDULWNMG-WYUUTHIRSA-N 1 2 243.347 1.467 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2cnn(C)n2)s1 ZINC001332844046 975291814 /nfs/dbraw/zinc/29/18/14/975291814.db2.gz MXCQTWDOLUTRES-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO CCN1CC[C@@H]([NH2+]CC(=O)c2ccc(O)cc2)C1 ZINC001173357373 975314777 /nfs/dbraw/zinc/31/47/77/975314777.db2.gz JQBVBYIUYJDVJO-GFCCVEGCSA-N 1 2 248.326 1.259 20 0 BDADLO CC[N@@H+]1CC[C@@H](NCC(=O)c2ccc(O)cc2)C1 ZINC001173357373 975314784 /nfs/dbraw/zinc/31/47/84/975314784.db2.gz JQBVBYIUYJDVJO-GFCCVEGCSA-N 1 2 248.326 1.259 20 0 BDADLO CC[N@H+]1CC[C@@H](NCC(=O)c2ccc(O)cc2)C1 ZINC001173357373 975314793 /nfs/dbraw/zinc/31/47/93/975314793.db2.gz JQBVBYIUYJDVJO-GFCCVEGCSA-N 1 2 248.326 1.259 20 0 BDADLO C[C@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC001332917966 975320800 /nfs/dbraw/zinc/32/08/00/975320800.db2.gz HEHLVCOOIYVRPR-PZWNZHSQSA-N 1 2 233.315 1.605 20 0 BDADLO CCN(C(=O)[C@@H](C)n1cc[nH+]c1)c1cnn(C)c1 ZINC001332923350 975321392 /nfs/dbraw/zinc/32/13/92/975321392.db2.gz DFPCEGBGPFPYLQ-SNVBAGLBSA-N 1 2 247.302 1.231 20 0 BDADLO Cc1cc(C)nc(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001227248087 975330145 /nfs/dbraw/zinc/33/01/45/975330145.db2.gz QPQMCAGYSNCIBR-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO Cc1cc(C)nc(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001227248087 975330153 /nfs/dbraw/zinc/33/01/53/975330153.db2.gz QPQMCAGYSNCIBR-LBPRGKRZSA-N 1 2 236.315 1.408 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)cc(C)n2)C1 ZINC001227250194 975332216 /nfs/dbraw/zinc/33/22/16/975332216.db2.gz BSPJIBVCTNEAKT-UHFFFAOYSA-N 1 2 206.289 1.781 20 0 BDADLO Cc1cc[nH+]c(C)c1OC[C@H]1COCO1 ZINC001227263345 975339071 /nfs/dbraw/zinc/33/90/71/975339071.db2.gz FIIVLVJGAVFFDW-SNVBAGLBSA-N 1 2 209.245 1.450 20 0 BDADLO CCOC(=O)c1ccc(OC2C[NH+](CC)C2)cc1 ZINC001227440215 975408477 /nfs/dbraw/zinc/40/84/77/975408477.db2.gz BIOTXBJSCZABLX-UHFFFAOYSA-N 1 2 249.310 1.946 20 0 BDADLO C[NH+](C)Cc1nnc(C(C)(C)C2CC2)o1 ZINC001333121710 975451010 /nfs/dbraw/zinc/45/10/10/975451010.db2.gz MNIKOZDXOFUYKR-UHFFFAOYSA-N 1 2 209.293 1.819 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)Oc1ccccc1O ZINC001227486599 975475869 /nfs/dbraw/zinc/47/58/69/975475869.db2.gz RLJJNJQXVJPPCB-LLVKDONJSA-N 1 2 237.299 1.492 20 0 BDADLO CO[C@@H]1CC[C@H](C(=O)OCCn2cc[nH+]c2)C1 ZINC001333293691 975622988 /nfs/dbraw/zinc/62/29/88/975622988.db2.gz XLWPOKHWGQRAAK-WDEREUQCSA-N 1 2 238.287 1.241 20 0 BDADLO C[NH+]1CC(Oc2[nH]c(=S)nc3cnccc32)C1 ZINC001227881770 975762262 /nfs/dbraw/zinc/76/22/62/975762262.db2.gz PVIOSFWLJAQJPT-UHFFFAOYSA-N 1 2 248.311 1.380 20 0 BDADLO CCOC(=O)c1c[nH+]c(N)n1-c1cccnc1 ZINC001173854113 975766136 /nfs/dbraw/zinc/76/61/36/975766136.db2.gz VECLBYXYRVVCHJ-UHFFFAOYSA-N 1 2 232.243 1.026 20 0 BDADLO C[NH+]1CC(Oc2ncnc3ccc(Cl)cc32)C1 ZINC001227961117 975813656 /nfs/dbraw/zinc/81/36/56/975813656.db2.gz OXDDMHOUUOKGJM-UHFFFAOYSA-N 1 2 249.701 1.976 20 0 BDADLO FCCn1cc(C[N@@H+]2CCn3cncc3C2)cn1 ZINC001333527495 975831466 /nfs/dbraw/zinc/83/14/66/975831466.db2.gz INJCBVWFJIDAGR-UHFFFAOYSA-N 1 2 249.293 1.065 20 0 BDADLO FCCn1cc(C[N@H+]2CCn3cncc3C2)cn1 ZINC001333527495 975831467 /nfs/dbraw/zinc/83/14/67/975831467.db2.gz INJCBVWFJIDAGR-UHFFFAOYSA-N 1 2 249.293 1.065 20 0 BDADLO c1nnc(C[N@H+]2CCC[C@@H](C3CC3)C2)[nH]1 ZINC001333589173 975876031 /nfs/dbraw/zinc/87/60/31/975876031.db2.gz AAMZAEDKYNVGBW-SNVBAGLBSA-N 1 2 206.293 1.427 20 0 BDADLO COc1cc2c(cc1O[C@@H]1CCOC1)C=[NH+]CC2 ZINC001228088436 975898274 /nfs/dbraw/zinc/89/82/74/975898274.db2.gz VKTOXOUJRGUIBY-GFCCVEGCSA-N 1 2 247.294 1.838 20 0 BDADLO c1nnc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)[nH]1 ZINC001333622470 975898341 /nfs/dbraw/zinc/89/83/41/975898341.db2.gz OIDGQBDJHLDWLH-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO c1nnc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)[nH]1 ZINC001333622470 975898344 /nfs/dbraw/zinc/89/83/44/975898344.db2.gz OIDGQBDJHLDWLH-BETUJISGSA-N 1 2 248.330 1.197 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@H](F)C2)nc[nH+]1 ZINC001333699819 976007055 /nfs/dbraw/zinc/00/70/55/976007055.db2.gz VQGLJIRTSFIPRE-DTWKUNHWSA-N 1 2 224.283 1.703 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@H](F)C2)[nH+]cn1 ZINC001333699819 976007069 /nfs/dbraw/zinc/00/70/69/976007069.db2.gz VQGLJIRTSFIPRE-DTWKUNHWSA-N 1 2 224.283 1.703 20 0 BDADLO CC[NH+]1CC(Oc2cc(C)nc(C(C)C)n2)C1 ZINC001228253281 976025209 /nfs/dbraw/zinc/02/52/09/976025209.db2.gz PZKSGGUREUXKSG-UHFFFAOYSA-N 1 2 235.331 1.991 20 0 BDADLO CN(C)c1cc(N(C)CCC2CC2)nc[nH+]1 ZINC001333723267 976030828 /nfs/dbraw/zinc/03/08/28/976030828.db2.gz GAEXBMPCNMUFIJ-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO CN(C)c1cc(N(C)CCC2CC2)[nH+]cn1 ZINC001333723267 976030841 /nfs/dbraw/zinc/03/08/41/976030841.db2.gz GAEXBMPCNMUFIJ-UHFFFAOYSA-N 1 2 220.320 1.779 20 0 BDADLO Cc1[nH]c2ccc(OC[C@H]3COC(=O)O3)cc2[nH+]1 ZINC001228326099 976121224 /nfs/dbraw/zinc/12/12/24/976121224.db2.gz FJFRNEQJGDLMMR-VIFPVBQESA-N 1 2 248.238 1.786 20 0 BDADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)C[C@@H]1F ZINC001334199339 976366618 /nfs/dbraw/zinc/36/66/18/976366618.db2.gz XOOQYFDIWWJOTJ-UWVGGRQHSA-N 1 2 234.278 1.914 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C=CCCC1 ZINC001334266881 976414853 /nfs/dbraw/zinc/41/48/53/976414853.db2.gz DYPGUEURQVLTJG-VIFPVBQESA-N 1 2 205.261 1.177 20 0 BDADLO CC(C)[N@@H+]1CC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228667241 976427709 /nfs/dbraw/zinc/42/77/09/976427709.db2.gz LFLZCFJGTMAJQS-LLVKDONJSA-N 1 2 246.314 1.819 20 0 BDADLO CC(C)[N@H+]1CC[C@@H](Oc2ccc3nn[nH]c3c2)C1 ZINC001228667241 976427714 /nfs/dbraw/zinc/42/77/14/976427714.db2.gz LFLZCFJGTMAJQS-LLVKDONJSA-N 1 2 246.314 1.819 20 0 BDADLO C[NH+]1CC(Oc2ncc(O)c3ccccc32)C1 ZINC001229140974 976768419 /nfs/dbraw/zinc/76/84/19/976768419.db2.gz KCQZJOYGMHXGKI-UHFFFAOYSA-N 1 2 230.267 1.633 20 0 BDADLO C[C@@H](C(=O)NN1CCCC[C@@H]1C)n1cc[nH+]c1 ZINC001335042675 976830927 /nfs/dbraw/zinc/83/09/27/976830927.db2.gz LICRGZBROWWFHY-QWRGUYRKSA-N 1 2 236.319 1.350 20 0 BDADLO CSc1nc(Nc2cc[nH+]c(C)c2)cc(=O)[nH]1 ZINC001174653103 976936948 /nfs/dbraw/zinc/93/69/48/976936948.db2.gz BKEKRIVCWZJNJV-UHFFFAOYSA-N 1 2 248.311 1.773 20 0 BDADLO C=CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001174783738 977004689 /nfs/dbraw/zinc/00/46/89/977004689.db2.gz LKVQQHQOYRSABA-JTQLQIEISA-N 1 2 205.261 1.208 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2nncn2C)cnc1F ZINC001335442100 977059897 /nfs/dbraw/zinc/05/98/97/977059897.db2.gz XIZGMPFURSATEV-VIFPVBQESA-N 1 2 249.293 1.508 20 0 BDADLO c1nnc(C[NH+]2CCC3(CCOC3)CC2)s1 ZINC001335593787 977167702 /nfs/dbraw/zinc/16/77/02/977167702.db2.gz JSFDUFVQMMVBLF-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO c1nnc(C[NH+]2CCC3(CC3)CC2)s1 ZINC001335594720 977171351 /nfs/dbraw/zinc/17/13/51/977171351.db2.gz XYQSIVYHGOMHKG-UHFFFAOYSA-N 1 2 209.318 1.914 20 0 BDADLO CC[NH+]1CC(Oc2nc3cccnc3o2)C1 ZINC001230348783 977186421 /nfs/dbraw/zinc/18/64/21/977186421.db2.gz UDXULTKKZUGCPQ-UHFFFAOYSA-N 1 2 219.244 1.306 20 0 BDADLO Cn1c[nH+]cc1C[S@](=O)CC1CCOCC1 ZINC001335750257 977256921 /nfs/dbraw/zinc/25/69/21/977256921.db2.gz YAHRVUFLHRRAMO-MRXNPFEDSA-N 1 2 242.344 1.095 20 0 BDADLO CSCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230709895 977308260 /nfs/dbraw/zinc/30/82/60/977308260.db2.gz GAJVTLDDOUNGPT-JTQLQIEISA-N 1 2 248.367 1.242 20 0 BDADLO CSCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230709895 977308271 /nfs/dbraw/zinc/30/82/71/977308271.db2.gz GAJVTLDDOUNGPT-JTQLQIEISA-N 1 2 248.367 1.242 20 0 BDADLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001230835109 977345264 /nfs/dbraw/zinc/34/52/64/977345264.db2.gz ULHCPXWNVXVDTF-LBPRGKRZSA-N 1 2 244.354 1.925 20 0 BDADLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001230835109 977345270 /nfs/dbraw/zinc/34/52/70/977345270.db2.gz ULHCPXWNVXVDTF-LBPRGKRZSA-N 1 2 244.354 1.925 20 0 BDADLO COc1nn(C)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175337270 977381990 /nfs/dbraw/zinc/38/19/90/977381990.db2.gz ADOBFTPCHNVRDK-UHFFFAOYSA-N 1 2 247.302 1.633 20 0 BDADLO COc1cncc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001175338907 977385630 /nfs/dbraw/zinc/38/56/30/977385630.db2.gz QSKJPXCMZZYQTL-UHFFFAOYSA-N 1 2 245.286 1.690 20 0 BDADLO CC[C@@H](O)C[NH2+][C@@H](C)c1noc(C(F)F)n1 ZINC001336016652 977432062 /nfs/dbraw/zinc/43/20/62/977432062.db2.gz FYNRNMPJDNPGOG-NTSWFWBYSA-N 1 2 235.234 1.429 20 0 BDADLO O=C1OCC[C@H]1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231083023 977472744 /nfs/dbraw/zinc/47/27/44/977472744.db2.gz AKYKPIXYBUERRD-LLVKDONJSA-N 1 2 244.250 1.771 20 0 BDADLO C[C@H](CON)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081812 977472883 /nfs/dbraw/zinc/47/28/83/977472883.db2.gz NQDGCEQZZCBVOZ-SECBINFHSA-N 1 2 233.271 1.734 20 0 BDADLO c1c[nH+]c(-c2ccc(OC[C@@H]3COCO3)cc2)[nH]1 ZINC001231082489 977474891 /nfs/dbraw/zinc/47/48/91/977474891.db2.gz WHGREGTTXMBSJM-LBPRGKRZSA-N 1 2 246.266 1.828 20 0 BDADLO OCCc1ccc[nH+]c1Nc1cccc(CO)c1 ZINC001175513443 977493934 /nfs/dbraw/zinc/49/39/34/977493934.db2.gz BVUPYBUXEYUMKI-UHFFFAOYSA-N 1 2 244.294 1.852 20 0 BDADLO CC(C)(C)[S@@](C)(=O)=NC(=O)Cc1[nH]cc[nH+]1 ZINC001336107329 977509281 /nfs/dbraw/zinc/50/92/81/977509281.db2.gz QKVXSBHLOLGVNF-MRXNPFEDSA-N 1 2 243.332 1.375 20 0 BDADLO Cn1cc(OC2C[NH+](Cc3ccccc3)C2)cn1 ZINC001231180712 977524723 /nfs/dbraw/zinc/52/47/23/977524723.db2.gz UAKKAZWYTSZRBM-UHFFFAOYSA-N 1 2 243.310 1.683 20 0 BDADLO C[N@@H+]1CCCC(=Nc2sccc2C(N)=O)C1 ZINC001175574456 977572133 /nfs/dbraw/zinc/57/21/33/977572133.db2.gz XICXPAPFBCVRSW-UHFFFAOYSA-N 1 2 237.328 1.478 20 0 BDADLO C[N@H+]1CCCC(=Nc2sccc2C(N)=O)C1 ZINC001175574456 977572142 /nfs/dbraw/zinc/57/21/42/977572142.db2.gz XICXPAPFBCVRSW-UHFFFAOYSA-N 1 2 237.328 1.478 20 0 BDADLO O=C1CC[NH+](Cc2c[nH]c3cccnc23)CC1 ZINC001231486553 977610051 /nfs/dbraw/zinc/61/00/51/977610051.db2.gz WBOXHVBTXZVLEE-UHFFFAOYSA-N 1 2 229.283 1.728 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2ccc(CC)cn2)C1 ZINC001231641342 977657797 /nfs/dbraw/zinc/65/77/97/977657797.db2.gz XARYPRVSFWKNCA-UHFFFAOYSA-N 1 2 248.326 1.639 20 0 BDADLO Cc1ccc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C2)n1 ZINC001231669790 977683699 /nfs/dbraw/zinc/68/36/99/977683699.db2.gz QFUIDVPPDVTGCT-SECBINFHSA-N 1 2 234.299 1.507 20 0 BDADLO Cc1ccc(O)c(C[N@H+](C)Cc2cncnc2)n1 ZINC001231677440 977695739 /nfs/dbraw/zinc/69/57/39/977695739.db2.gz NWXYIJXXQWGXAA-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1ccc(O)c(C[N@@H+](C)Cc2cncnc2)n1 ZINC001231677440 977695760 /nfs/dbraw/zinc/69/57/60/977695760.db2.gz NWXYIJXXQWGXAA-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H]([C@H](C)O)C2)[nH+]1 ZINC001336569468 977785939 /nfs/dbraw/zinc/78/59/39/977785939.db2.gz NKXTVPXFJUOLSL-UWVGGRQHSA-N 1 2 224.279 1.736 20 0 BDADLO CCc1ccc(N(C)[C@H](C)C[S@@](C)=O)[nH+]c1 ZINC001336590406 977791374 /nfs/dbraw/zinc/79/13/74/977791374.db2.gz RRBLXBJJADEVTB-QLJPJBMISA-N 1 2 240.372 1.847 20 0 BDADLO CC[C@H](C)CC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001277586307 977799096 /nfs/dbraw/zinc/79/90/96/977799096.db2.gz OJYAKZMEQKSKAN-NSHDSACASA-N 1 2 242.363 1.212 20 0 BDADLO CCc1ccc(N2C[C@H](C)O[C@H](CO)C2)[nH+]c1 ZINC001336605878 977809189 /nfs/dbraw/zinc/80/91/89/977809189.db2.gz VRQXZELOSWPOSI-JQWIXIFHSA-N 1 2 236.315 1.230 20 0 BDADLO COc1cc[nH+]c(CN2Cc3cnn(C)c3C2)c1 ZINC001231969148 977813996 /nfs/dbraw/zinc/81/39/96/977813996.db2.gz SFSUSPSPHYSAPZ-UHFFFAOYSA-N 1 2 244.298 1.340 20 0 BDADLO N#CN1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001231974713 977819782 /nfs/dbraw/zinc/81/97/82/977819782.db2.gz MFMMMJMBLHNBAG-UHFFFAOYSA-N 1 2 241.298 1.162 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cnc1F ZINC001231991304 977825795 /nfs/dbraw/zinc/82/57/95/977825795.db2.gz YTNVTBFZFVOXCR-JTQLQIEISA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cnc1F ZINC001231991304 977825799 /nfs/dbraw/zinc/82/57/99/977825799.db2.gz YTNVTBFZFVOXCR-JTQLQIEISA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CC[N@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231993850 977827730 /nfs/dbraw/zinc/82/77/30/977827730.db2.gz YEIRVZYGEGSMFN-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO OC[C@H]1CC[N@@H+](Cc2cc(Cl)cnc2F)C1 ZINC001231993850 977827734 /nfs/dbraw/zinc/82/77/34/977827734.db2.gz YEIRVZYGEGSMFN-QMMMGPOBSA-N 1 2 244.697 1.688 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(=O)[nH]n1 ZINC001232022092 977849956 /nfs/dbraw/zinc/84/99/56/977849956.db2.gz XOGDIAKAPJVFOX-SFYZADRCSA-N 1 2 211.240 1.115 20 0 BDADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(=O)[nH]n1 ZINC001232022092 977849958 /nfs/dbraw/zinc/84/99/58/977849958.db2.gz XOGDIAKAPJVFOX-SFYZADRCSA-N 1 2 211.240 1.115 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc2ncccc2[nH]1 ZINC001232061905 977873377 /nfs/dbraw/zinc/87/33/77/977873377.db2.gz RCPMMBVEVZDGLQ-UHFFFAOYSA-N 1 2 217.272 1.584 20 0 BDADLO Brc1nccnc1Nc1[nH]cc[nH+]1 ZINC001176080838 977877632 /nfs/dbraw/zinc/87/76/32/977877632.db2.gz YHFAUXGDROKYGW-UHFFFAOYSA-N 1 2 240.064 1.706 20 0 BDADLO COC(=O)c1ccc(OC)nc1Nc1[nH]cc[nH+]1 ZINC001176082258 977879982 /nfs/dbraw/zinc/87/99/82/977879982.db2.gz BMTZOOGHEFDEMC-UHFFFAOYSA-N 1 2 248.242 1.344 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)C2(C)COC2)[nH]1 ZINC001232077377 977880567 /nfs/dbraw/zinc/88/05/67/977880567.db2.gz MDNKUNFDZCJEEV-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)C2(C)COC2)[nH]1 ZINC001232077377 977880569 /nfs/dbraw/zinc/88/05/69/977880569.db2.gz MDNKUNFDZCJEEV-UHFFFAOYSA-N 1 2 238.287 1.022 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@@H]1F ZINC001232081871 977882482 /nfs/dbraw/zinc/88/24/82/977882482.db2.gz KGGXEWLOCVZWDR-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@@H]1F ZINC001232081871 977882486 /nfs/dbraw/zinc/88/24/86/977882486.db2.gz KGGXEWLOCVZWDR-STQMWFEESA-N 1 2 238.306 1.867 20 0 BDADLO Cc1nc2ccc(N)cc2n1-c1[nH]cc[nH+]1 ZINC001176084859 977887880 /nfs/dbraw/zinc/88/78/80/977887880.db2.gz RUTYNBZVOOUTPT-UHFFFAOYSA-N 1 2 213.244 1.639 20 0 BDADLO c1c2ccncc2[nH]c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001232090589 977888191 /nfs/dbraw/zinc/88/81/91/977888191.db2.gz KKMMJFOGSAFXNK-BETUJISGSA-N 1 2 243.310 1.926 20 0 BDADLO c1c2ccncc2[nH]c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001232090589 977888195 /nfs/dbraw/zinc/88/81/95/977888195.db2.gz KKMMJFOGSAFXNK-BETUJISGSA-N 1 2 243.310 1.926 20 0 BDADLO CC1C[NH+](Cc2cn(C)nc2C(F)(F)F)C1 ZINC001232086147 977889067 /nfs/dbraw/zinc/88/90/67/977889067.db2.gz LNZQZDWNPPSLBQ-UHFFFAOYSA-N 1 2 233.237 1.891 20 0 BDADLO Cc1nc(NCc2cnn3c2CCCC3)cc[nH+]1 ZINC001336738015 977898099 /nfs/dbraw/zinc/89/80/99/977898099.db2.gz REKKCLOXEOCOPR-UHFFFAOYSA-N 1 2 243.314 1.930 20 0 BDADLO CN(C)c1ccc(NC2=CCOCC2)c[nH+]1 ZINC001176138958 977914467 /nfs/dbraw/zinc/91/44/67/977914467.db2.gz HEZPTMQGGRMDQU-UHFFFAOYSA-N 1 2 219.288 1.864 20 0 BDADLO Cc1scnc1CN1CCn2c[nH+]cc2C1 ZINC001232207006 977931882 /nfs/dbraw/zinc/93/18/82/977931882.db2.gz RYSHBAJDKFZJQE-UHFFFAOYSA-N 1 2 234.328 1.664 20 0 BDADLO O=C([O-])CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001595061778 977939515 /nfs/dbraw/zinc/93/95/15/977939515.db2.gz VWWPPSWTHHPOKQ-QWRGUYRKSA-N 1 2 226.320 1.068 20 0 BDADLO O=C([O-])CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001595061778 977939525 /nfs/dbraw/zinc/93/95/25/977939525.db2.gz VWWPPSWTHHPOKQ-QWRGUYRKSA-N 1 2 226.320 1.068 20 0 BDADLO COc1cc[nH+]cc1Nc1cc(C)n(C)n1 ZINC001176118078 977944115 /nfs/dbraw/zinc/94/41/15/977944115.db2.gz ARIPOJYGVXVEOT-UHFFFAOYSA-N 1 2 218.260 1.876 20 0 BDADLO COc1cc[nH+]cc1Nc1cncc(C)n1 ZINC001176119212 977949953 /nfs/dbraw/zinc/94/99/53/977949953.db2.gz OMHKHFGWVXKMDF-UHFFFAOYSA-N 1 2 216.244 1.932 20 0 BDADLO COc1ccc(C[N@@H+]2CCCC23COC3)c(C)n1 ZINC001232334876 978007939 /nfs/dbraw/zinc/00/79/39/978007939.db2.gz NMZIPYWZAVBHLZ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO COc1ccc(C[N@H+]2CCCC23COC3)c(C)n1 ZINC001232334876 978007947 /nfs/dbraw/zinc/00/79/47/978007947.db2.gz NMZIPYWZAVBHLZ-UHFFFAOYSA-N 1 2 248.326 1.763 20 0 BDADLO Cc1[nH]c(CNCc2cn(C)cn2)[nH+]c1C ZINC001336874619 978019199 /nfs/dbraw/zinc/01/91/99/978019199.db2.gz RBOWMPZPLXYLIY-UHFFFAOYSA-N 1 2 219.292 1.050 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N)nc1 ZINC001232368965 978042949 /nfs/dbraw/zinc/04/29/49/978042949.db2.gz KVFNPSHBLINLBF-LBPRGKRZSA-N 1 2 233.315 1.607 20 0 BDADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N)nc1 ZINC001232368965 978042954 /nfs/dbraw/zinc/04/29/54/978042954.db2.gz KVFNPSHBLINLBF-LBPRGKRZSA-N 1 2 233.315 1.607 20 0 BDADLO F[C@H]1CCC[N@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232426061 978062576 /nfs/dbraw/zinc/06/25/76/978062576.db2.gz GBWISANGFBJHMD-VIFPVBQESA-N 1 2 223.295 1.832 20 0 BDADLO F[C@H]1CCC[N@@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232426061 978062582 /nfs/dbraw/zinc/06/25/82/978062582.db2.gz GBWISANGFBJHMD-VIFPVBQESA-N 1 2 223.295 1.832 20 0 BDADLO F[C@@H]1CCC[N@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232426060 978064885 /nfs/dbraw/zinc/06/48/85/978064885.db2.gz GBWISANGFBJHMD-SECBINFHSA-N 1 2 223.295 1.832 20 0 BDADLO F[C@@H]1CCC[N@@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001232426060 978064897 /nfs/dbraw/zinc/06/48/97/978064897.db2.gz GBWISANGFBJHMD-SECBINFHSA-N 1 2 223.295 1.832 20 0 BDADLO Cc1[nH]c(CN2CC(OC(C)C)C2)c[nH+]1 ZINC001232465410 978077361 /nfs/dbraw/zinc/07/73/61/978077361.db2.gz LVDREIKFZCPXQK-UHFFFAOYSA-N 1 2 209.293 1.327 20 0 BDADLO Cc1[nH]c(CN2CCc3c(O)cccc3C2)c[nH+]1 ZINC001232461216 978093451 /nfs/dbraw/zinc/09/34/51/978093451.db2.gz YYGRQMHGTUIRAZ-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1[nH]cc(CN2CCc3c(O)cccc3C2)[nH+]1 ZINC001232461216 978093461 /nfs/dbraw/zinc/09/34/61/978093461.db2.gz YYGRQMHGTUIRAZ-UHFFFAOYSA-N 1 2 243.310 1.982 20 0 BDADLO Cc1nc(C[NH+]2CCC(n3cnnc3)CC2)c[nH]1 ZINC001232464887 978112469 /nfs/dbraw/zinc/11/24/69/978112469.db2.gz OFNAXWBYGAEURD-UHFFFAOYSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1ncc(C[NH+]2CCC(n3cnnc3)CC2)[nH]1 ZINC001232464887 978112480 /nfs/dbraw/zinc/11/24/80/978112480.db2.gz OFNAXWBYGAEURD-UHFFFAOYSA-N 1 2 246.318 1.147 20 0 BDADLO CCc1csc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC001232473425 978122220 /nfs/dbraw/zinc/12/22/20/978122220.db2.gz QLUYTHKZSWLHRZ-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO CCc1csc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC001232473425 978122226 /nfs/dbraw/zinc/12/22/26/978122226.db2.gz QLUYTHKZSWLHRZ-SNVBAGLBSA-N 1 2 226.345 1.926 20 0 BDADLO CN(Cc1ccc(O)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001595913893 978153281 /nfs/dbraw/zinc/15/32/81/978153281.db2.gz PAPAZNWKUGMIKG-UHFFFAOYSA-N 1 2 245.282 1.316 20 0 BDADLO Nc1ccc(F)cc1C[N@@H+]1CCCC(=O)CC1 ZINC001232508565 978156180 /nfs/dbraw/zinc/15/61/80/978156180.db2.gz FAGZMKVRBPVLIP-UHFFFAOYSA-N 1 2 236.290 1.963 20 0 BDADLO Nc1ccc(F)cc1C[N@H+]1CCCC(=O)CC1 ZINC001232508565 978156186 /nfs/dbraw/zinc/15/61/86/978156186.db2.gz FAGZMKVRBPVLIP-UHFFFAOYSA-N 1 2 236.290 1.963 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(CF)n1 ZINC001232532585 978163343 /nfs/dbraw/zinc/16/33/43/978163343.db2.gz USUHTMCFWAKLCW-NSHDSACASA-N 1 2 237.278 1.001 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(CF)n1 ZINC001232532585 978163348 /nfs/dbraw/zinc/16/33/48/978163348.db2.gz USUHTMCFWAKLCW-NSHDSACASA-N 1 2 237.278 1.001 20 0 BDADLO CCc1ncoc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC001337115820 978171570 /nfs/dbraw/zinc/17/15/70/978171570.db2.gz VBQWFKYOEHBLMS-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO CCc1ncoc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC001337115820 978171574 /nfs/dbraw/zinc/17/15/74/978171574.db2.gz VBQWFKYOEHBLMS-VIFPVBQESA-N 1 2 237.303 1.013 20 0 BDADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC001232546533 978172372 /nfs/dbraw/zinc/17/23/72/978172372.db2.gz CUWZCKCCAAOSRC-SECBINFHSA-N 1 2 244.298 1.463 20 0 BDADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1c[nH]c2nccnc12 ZINC001232546533 978172376 /nfs/dbraw/zinc/17/23/76/978172376.db2.gz CUWZCKCCAAOSRC-SECBINFHSA-N 1 2 244.298 1.463 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)Nc1cccnc1F ZINC001176827337 978194453 /nfs/dbraw/zinc/19/44/53/978194453.db2.gz IULINBRTLDUYCK-UHFFFAOYSA-N 1 2 220.207 1.125 20 0 BDADLO COc1cccc(C)c1C[N@@H+]1CCC12COC2 ZINC001232627886 978204104 /nfs/dbraw/zinc/20/41/04/978204104.db2.gz QOBRKHIZWCJZPJ-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO COc1cccc(C)c1C[N@H+]1CCC12COC2 ZINC001232627886 978204112 /nfs/dbraw/zinc/20/41/12/978204112.db2.gz QOBRKHIZWCJZPJ-UHFFFAOYSA-N 1 2 233.311 1.978 20 0 BDADLO CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(F)(F)F ZINC001176835892 978207846 /nfs/dbraw/zinc/20/78/46/978207846.db2.gz GTKPDKZLRYQDAP-SSDOTTSWSA-N 1 2 235.209 1.409 20 0 BDADLO Cc1ccc([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001176836082 978208150 /nfs/dbraw/zinc/20/81/50/978208150.db2.gz AUZDAEOPTWSLAO-SNVBAGLBSA-N 1 2 244.298 1.533 20 0 BDADLO Cc1c[nH]c(=O)cc1NC(=O)CCn1cc[nH+]c1 ZINC001176873328 978219765 /nfs/dbraw/zinc/21/97/65/978219765.db2.gz HIYCUDQFWHBVAZ-UHFFFAOYSA-N 1 2 246.270 1.321 20 0 BDADLO C[C@H]1C[C@@H](CF)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001176874566 978228849 /nfs/dbraw/zinc/22/88/49/978228849.db2.gz XVPSNEQJESIYGZ-QWRGUYRKSA-N 1 2 239.294 1.480 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH+]1 ZINC001337270096 978257058 /nfs/dbraw/zinc/25/70/58/978257058.db2.gz YCGHCOJFFKKTEB-WCQGTBRESA-N 1 2 236.290 1.736 20 0 BDADLO CCn1ncnc1C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001176971339 978259328 /nfs/dbraw/zinc/25/93/28/978259328.db2.gz OLTZKTSYGYSGHS-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncnc1C[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001176971339 978259335 /nfs/dbraw/zinc/25/93/35/978259335.db2.gz OLTZKTSYGYSGHS-GHMZBOCLSA-N 1 2 238.335 1.297 20 0 BDADLO Cc1ncc(CNC(=O)CCCn2cc[nH+]c2)o1 ZINC001597046372 978294327 /nfs/dbraw/zinc/29/43/27/978294327.db2.gz PPWWNGDAKGDSSN-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(C)cc(O)c2)C[C@@H]1F ZINC001232881002 978318511 /nfs/dbraw/zinc/31/85/11/978318511.db2.gz UNOPXNWMELLCSP-QWHCGFSZSA-N 1 2 239.290 1.869 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(C)cc(O)c2)C[C@@H]1F ZINC001232881002 978318518 /nfs/dbraw/zinc/31/85/18/978318518.db2.gz UNOPXNWMELLCSP-QWHCGFSZSA-N 1 2 239.290 1.869 20 0 BDADLO Oc1cc(C[N@H+]2CCC[C@@H](O)C2)cc(F)c1F ZINC001232968294 978365644 /nfs/dbraw/zinc/36/56/44/978365644.db2.gz GTDUAKYAOUAOFR-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO Oc1cc(C[N@@H+]2CCC[C@@H](O)C2)cc(F)c1F ZINC001232968294 978365651 /nfs/dbraw/zinc/36/56/51/978365651.db2.gz GTDUAKYAOUAOFR-SECBINFHSA-N 1 2 243.253 1.627 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)c2cocn2)[nH+]1 ZINC001597812250 978369361 /nfs/dbraw/zinc/36/93/61/978369361.db2.gz RZGSLRFRZSJKIV-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)c2cocn2)c[nH+]1 ZINC001597812250 978369370 /nfs/dbraw/zinc/36/93/70/978369370.db2.gz RZGSLRFRZSJKIV-UHFFFAOYSA-N 1 2 234.259 1.451 20 0 BDADLO Cc1cccnc1[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001337501092 978378142 /nfs/dbraw/zinc/37/81/42/978378142.db2.gz UGIHQURBUXDNMD-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC001233005518 978394916 /nfs/dbraw/zinc/39/49/16/978394916.db2.gz OSOMLUPRJDGMHJ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC001233005518 978394928 /nfs/dbraw/zinc/39/49/28/978394928.db2.gz OSOMLUPRJDGMHJ-GFCCVEGCSA-N 1 2 220.316 1.919 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CCN(C)[C@H](C)C2)cn1 ZINC001233009743 978409021 /nfs/dbraw/zinc/40/90/21/978409021.db2.gz LQTXCPPPNKPFQE-CYBMUJFWSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CCN(C)[C@H](C)C2)cn1 ZINC001233009743 978409029 /nfs/dbraw/zinc/40/90/29/978409029.db2.gz LQTXCPPPNKPFQE-CYBMUJFWSA-N 1 2 233.359 1.834 20 0 BDADLO O=C(Cc1ccc[nH]1)Nc1ccn2cc[nH+]c2c1 ZINC001177865028 978448207 /nfs/dbraw/zinc/44/82/07/978448207.db2.gz AVLJEGBQCDMWEA-UHFFFAOYSA-N 1 2 240.266 1.844 20 0 BDADLO Cc1noc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001337693137 978463881 /nfs/dbraw/zinc/46/38/81/978463881.db2.gz BPBQAIBXKOYHOO-UHFFFAOYSA-N 1 2 243.270 1.680 20 0 BDADLO C[C@H](C(=O)N(C)C1CC(C)C1)n1cc[nH+]c1 ZINC001177922816 978472530 /nfs/dbraw/zinc/47/25/30/978472530.db2.gz PZLDGZBFNYBHFN-HSOILSAZSA-N 1 2 221.304 1.701 20 0 BDADLO Cc1c(NC(=O)[C@@H](C)n2cc[nH+]c2)ncn1C ZINC001177921600 978472724 /nfs/dbraw/zinc/47/27/24/978472724.db2.gz HMMKHBYAGDRPIW-SECBINFHSA-N 1 2 233.275 1.125 20 0 BDADLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc(=O)o1 ZINC001177922359 978472842 /nfs/dbraw/zinc/47/28/42/978472842.db2.gz UBTXMPONZQSSMP-SECBINFHSA-N 1 2 247.254 1.344 20 0 BDADLO O[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@H]1F ZINC001204208905 978492888 /nfs/dbraw/zinc/49/28/88/978492888.db2.gz WAFFWIGPLHLYRA-ZYHUDNBSSA-N 1 2 245.244 1.870 20 0 BDADLO O[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@H]1F ZINC001204208905 978492898 /nfs/dbraw/zinc/49/28/98/978492898.db2.gz WAFFWIGPLHLYRA-ZYHUDNBSSA-N 1 2 245.244 1.870 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1O ZINC001233231278 978500745 /nfs/dbraw/zinc/50/07/45/978500745.db2.gz QZJHFPQCTGFFSU-VXGBXAGGSA-N 1 2 239.290 1.605 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1O ZINC001233231278 978500753 /nfs/dbraw/zinc/50/07/53/978500753.db2.gz QZJHFPQCTGFFSU-VXGBXAGGSA-N 1 2 239.290 1.605 20 0 BDADLO CN(C[C@@H]1CCCC[C@H]1O)c1cc(N)nc[nH+]1 ZINC001337818470 978510437 /nfs/dbraw/zinc/51/04/37/978510437.db2.gz BVVZSRVGRZOIRX-VHSXEESVSA-N 1 2 236.319 1.046 20 0 BDADLO O=C(N[C@@H]1C[C@@H]1C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178122046 978514531 /nfs/dbraw/zinc/51/45/31/978514531.db2.gz QFFGJKRUQINXEE-QJPTWQEYSA-N 1 2 245.326 1.360 20 0 BDADLO FC(F)(F)c1cccnc1C[NH2+][C@@H]1CNOC1 ZINC001337838780 978523939 /nfs/dbraw/zinc/52/39/39/978523939.db2.gz UCYTVDLTRSSHIC-SSDOTTSWSA-N 1 2 247.220 1.093 20 0 BDADLO COCOc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001233282467 978528912 /nfs/dbraw/zinc/52/89/12/978528912.db2.gz RZXSYMQUBUYGQR-OKILXGFUSA-N 1 2 249.310 1.642 20 0 BDADLO COCOc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001233282467 978528920 /nfs/dbraw/zinc/52/89/20/978528920.db2.gz RZXSYMQUBUYGQR-OKILXGFUSA-N 1 2 249.310 1.642 20 0 BDADLO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)C2)sn1 ZINC001233312313 978538076 /nfs/dbraw/zinc/53/80/76/978538076.db2.gz LEHIIJQLJUOQOH-SNVBAGLBSA-N 1 2 225.361 1.587 20 0 BDADLO Cc1cc(C[N@H+]2CCN(C)[C@H](C)C2)sn1 ZINC001233312313 978538082 /nfs/dbraw/zinc/53/80/82/978538082.db2.gz LEHIIJQLJUOQOH-SNVBAGLBSA-N 1 2 225.361 1.587 20 0 BDADLO Cc1cnsc1C[N@@H+]1CCc2nn(C)cc2C1 ZINC001233320838 978557896 /nfs/dbraw/zinc/55/78/96/978557896.db2.gz PHKCFDWPKIHXSD-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cnsc1C[N@H+]1CCc2nn(C)cc2C1 ZINC001233320838 978557907 /nfs/dbraw/zinc/55/79/07/978557907.db2.gz PHKCFDWPKIHXSD-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO Cc1cnsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001233321994 978564160 /nfs/dbraw/zinc/56/41/60/978564160.db2.gz NGFLDXZVOQFENL-UWVGGRQHSA-N 1 2 223.345 1.340 20 0 BDADLO Cc1cnsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001233321994 978564165 /nfs/dbraw/zinc/56/41/65/978564165.db2.gz NGFLDXZVOQFENL-UWVGGRQHSA-N 1 2 223.345 1.340 20 0 BDADLO CO[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@@H]1F ZINC001233361052 978572066 /nfs/dbraw/zinc/57/20/66/978572066.db2.gz WVMAWLHPRYMJMA-NWDGAFQWSA-N 1 2 249.289 1.503 20 0 BDADLO C[C@H]1CC(=O)CCN1Cc1cccc2[nH+]ccn21 ZINC001233360962 978573399 /nfs/dbraw/zinc/57/33/99/978573399.db2.gz QDXNEXMEIXEHND-NSHDSACASA-N 1 2 243.310 1.888 20 0 BDADLO CCc1ccc(N2C[C@@H](O)C(C)(C)C2)[nH+]c1 ZINC001337962331 978579691 /nfs/dbraw/zinc/57/96/91/978579691.db2.gz NCRVAGCCSVWFIO-LLVKDONJSA-N 1 2 220.316 1.851 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C)o1 ZINC001233368270 978580161 /nfs/dbraw/zinc/58/01/61/978580161.db2.gz HEIJPKCEEOGQPH-NSHDSACASA-N 1 2 208.261 1.536 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C)o1 ZINC001233368270 978580165 /nfs/dbraw/zinc/58/01/65/978580165.db2.gz HEIJPKCEEOGQPH-NSHDSACASA-N 1 2 208.261 1.536 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2cccc(N)n2)CCC1=O ZINC001233369671 978583474 /nfs/dbraw/zinc/58/34/74/978583474.db2.gz YBRYUVFVUKAXSS-SNVBAGLBSA-N 1 2 233.315 1.465 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2cccc(N)n2)CCC1=O ZINC001233369671 978583482 /nfs/dbraw/zinc/58/34/82/978583482.db2.gz YBRYUVFVUKAXSS-SNVBAGLBSA-N 1 2 233.315 1.465 20 0 BDADLO C[C@@H]1CCN(Cc2cccc(N)[nH+]2)CCC1=O ZINC001233369671 978583489 /nfs/dbraw/zinc/58/34/89/978583489.db2.gz YBRYUVFVUKAXSS-SNVBAGLBSA-N 1 2 233.315 1.465 20 0 BDADLO C/C=C(C)/C=C/C(=O)NCCc1[nH+]ccn1C ZINC001178516726 978584853 /nfs/dbraw/zinc/58/48/53/978584853.db2.gz QXDYKINFMDGLMZ-AORIPKDHSA-N 1 2 233.315 1.601 20 0 BDADLO CC(C)OC1CN(Cc2cccc(N)[nH+]2)C1 ZINC001233372614 978586953 /nfs/dbraw/zinc/58/69/53/978586953.db2.gz XOTMNRQTUXTIFP-UHFFFAOYSA-N 1 2 221.304 1.273 20 0 BDADLO OC[C@H]1CCCC[N@@H+]1Cc1cncc(Cl)n1 ZINC001233446175 978603062 /nfs/dbraw/zinc/60/30/62/978603062.db2.gz KOZSZEGYXCUCLB-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO OC[C@H]1CCCC[N@H+]1Cc1cncc(Cl)n1 ZINC001233446175 978603070 /nfs/dbraw/zinc/60/30/70/978603070.db2.gz KOZSZEGYXCUCLB-SNVBAGLBSA-N 1 2 241.722 1.477 20 0 BDADLO CCc1[nH]c(CNC(=O)/C=C(\C)Cl)c[nH+]1 ZINC001178669911 978603228 /nfs/dbraw/zinc/60/32/28/978603228.db2.gz QWEBAGPVTSYFGV-QPJJXVBHSA-N 1 2 227.695 1.731 20 0 BDADLO CCc1[nH]cc(CNC(=O)C=C(C)Cl)[nH+]1 ZINC001178669911 978603234 /nfs/dbraw/zinc/60/32/34/978603234.db2.gz QWEBAGPVTSYFGV-QPJJXVBHSA-N 1 2 227.695 1.731 20 0 BDADLO CCc1ncc(C[NH2+][C@H](C)c2nnc(C)[nH]2)cn1 ZINC001338264204 978647522 /nfs/dbraw/zinc/64/75/22/978647522.db2.gz NUILNYOMXTZJIA-MRVPVSSYSA-N 1 2 246.318 1.316 20 0 BDADLO CCOC(=O)C(=O)Cc1c[nH+]c(C)cc1C ZINC001249915435 978661988 /nfs/dbraw/zinc/66/19/88/978661988.db2.gz FXBVEDWULGFBJH-UHFFFAOYSA-N 1 2 221.256 1.373 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1C(=O)[O-] ZINC001600413310 978693440 /nfs/dbraw/zinc/69/34/40/978693440.db2.gz HWERYSKOHOCFAX-UHFFFAOYSA-N 1 2 248.326 1.489 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1C(=O)[O-] ZINC001600413310 978693449 /nfs/dbraw/zinc/69/34/49/978693449.db2.gz HWERYSKOHOCFAX-UHFFFAOYSA-N 1 2 248.326 1.489 20 0 BDADLO Cc1[nH]c(C[NH2+]C2(CC(=O)[O-])CCC2)c(C)[nH+]1 ZINC001600691481 978720423 /nfs/dbraw/zinc/72/04/23/978720423.db2.gz LUHQAAVYHGAYFI-UHFFFAOYSA-N 1 2 237.303 1.514 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CO[C@H](C)C1 ZINC001338994236 978769234 /nfs/dbraw/zinc/76/92/34/978769234.db2.gz YDNMAWCASPHFOR-MNOVXSKESA-N 1 2 234.299 1.484 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)CCOC(C)C ZINC001339101645 978792278 /nfs/dbraw/zinc/79/22/78/978792278.db2.gz CTALDIPETBEPJR-UHFFFAOYSA-N 1 2 236.315 1.874 20 0 BDADLO CSc1ncc(OC2C[NH+](C)C2)cc1C ZINC001234285234 978812883 /nfs/dbraw/zinc/81/28/83/978812883.db2.gz HOVLHTQYZGNLJF-UHFFFAOYSA-N 1 2 224.329 1.805 20 0 BDADLO COc1cccc2nc(OC3C[NH+](C)C3)ccc21 ZINC001234574360 978860805 /nfs/dbraw/zinc/86/08/05/978860805.db2.gz SVBYCRGEJVMFLN-UHFFFAOYSA-N 1 2 244.294 1.936 20 0 BDADLO CCc1ccc(N2CCC[C@@H](CC(N)=O)C2)[nH+]c1 ZINC001339609951 978877874 /nfs/dbraw/zinc/87/78/74/978877874.db2.gz ISDOEQNQNBKRPP-LBPRGKRZSA-N 1 2 247.342 1.736 20 0 BDADLO Cc1cc(F)cc(NC[C@H](C)S(C)(=O)=O)[nH+]1 ZINC001339626812 978882816 /nfs/dbraw/zinc/88/28/16/978882816.db2.gz GOXAJLRZLUKSRR-QMMMGPOBSA-N 1 2 246.307 1.374 20 0 BDADLO CCc1ccc(N2CCO[C@@]3(CCOC3)C2)[nH+]c1 ZINC001339665102 978888199 /nfs/dbraw/zinc/88/81/99/978888199.db2.gz CRTXGGCXDNNJSZ-AWEZNQCLSA-N 1 2 248.326 1.640 20 0 BDADLO COc1ccccc1/C=C/C(=O)NC1C[NH+](C)C1 ZINC001180530841 978895371 /nfs/dbraw/zinc/89/53/71/978895371.db2.gz YXUZMJYBYQOPLE-BQYQJAHWSA-N 1 2 246.310 1.139 20 0 BDADLO Cc1cc(F)cc(N2CC[C@H](C)[C@@H]2CO)[nH+]1 ZINC001339688512 978895624 /nfs/dbraw/zinc/89/56/24/978895624.db2.gz UNUQKVKIGHTUEO-KWQFWETISA-N 1 2 224.279 1.736 20 0 BDADLO C[C@H](C1CC1)N(C(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC001339925214 978941977 /nfs/dbraw/zinc/94/19/77/978941977.db2.gz GDJKYZAJXPALDT-GMSGAONNSA-N 1 2 246.301 1.758 20 0 BDADLO C[N@H+](CCc1ccccn1)Cc1ncc(F)cn1 ZINC001235000763 978948330 /nfs/dbraw/zinc/94/83/30/978948330.db2.gz QEQBSZPEPYYTBZ-UHFFFAOYSA-N 1 2 246.289 1.685 20 0 BDADLO C[N@@H+](CCc1ccccn1)Cc1ncc(F)cn1 ZINC001235000763 978948332 /nfs/dbraw/zinc/94/83/32/978948332.db2.gz QEQBSZPEPYYTBZ-UHFFFAOYSA-N 1 2 246.289 1.685 20 0 BDADLO OC[C@H]1CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001235005266 978949091 /nfs/dbraw/zinc/94/90/91/978949091.db2.gz MDBUJEGRSBMSNJ-JTQLQIEISA-N 1 2 239.294 1.210 20 0 BDADLO OC[C@H]1CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001235005266 978949095 /nfs/dbraw/zinc/94/90/95/978949095.db2.gz MDBUJEGRSBMSNJ-JTQLQIEISA-N 1 2 239.294 1.210 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2ncc(F)cn2)[C@H]1CO ZINC001235008032 978951077 /nfs/dbraw/zinc/95/10/77/978951077.db2.gz UMMOPTBGNZWNOM-KOLCDFICSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2ncc(F)cn2)[C@H]1CO ZINC001235008032 978951081 /nfs/dbraw/zinc/95/10/81/978951081.db2.gz UMMOPTBGNZWNOM-KOLCDFICSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncc(F)cn2)CC[C@]1(C)O ZINC001235008627 978951503 /nfs/dbraw/zinc/95/15/03/978951503.db2.gz XQAPIXVYLGGVPZ-SKDRFNHKSA-N 1 2 239.294 1.209 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncc(F)cn2)CC[C@]1(C)O ZINC001235008627 978951506 /nfs/dbraw/zinc/95/15/06/978951506.db2.gz XQAPIXVYLGGVPZ-SKDRFNHKSA-N 1 2 239.294 1.209 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2ncc(F)cn2)[C@H](C)C1 ZINC001235020955 978954496 /nfs/dbraw/zinc/95/44/96/978954496.db2.gz JJTOACYZUYAHMJ-MWLCHTKSSA-N 1 2 239.294 1.615 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2ncc(F)cn2)[C@H](C)C1 ZINC001235020955 978954499 /nfs/dbraw/zinc/95/44/99/978954499.db2.gz JJTOACYZUYAHMJ-MWLCHTKSSA-N 1 2 239.294 1.615 20 0 BDADLO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)c(=O)[nH]1 ZINC001340199122 978987238 /nfs/dbraw/zinc/98/72/38/978987238.db2.gz IQGHETTZSOMLHG-ZCFIWIBFSA-N 1 2 245.229 1.017 20 0 BDADLO COC(=O)c1ccnc(C[NH+]2CC3(CCC3)C2)c1 ZINC001235197969 978997027 /nfs/dbraw/zinc/99/70/27/978997027.db2.gz KWMMEESKAOJWBG-UHFFFAOYSA-N 1 2 246.310 1.854 20 0 BDADLO CCc1cccc(C[N@H+](C)CC(=O)N(C)C)n1 ZINC001235259883 979015511 /nfs/dbraw/zinc/01/55/11/979015511.db2.gz YKCWNRXBHOBGGH-UHFFFAOYSA-N 1 2 235.331 1.164 20 0 BDADLO CCc1cccc(C[N@@H+](C)CC(=O)N(C)C)n1 ZINC001235259883 979015516 /nfs/dbraw/zinc/01/55/16/979015516.db2.gz YKCWNRXBHOBGGH-UHFFFAOYSA-N 1 2 235.331 1.164 20 0 BDADLO CC1CC(N(C)C(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181240902 979016113 /nfs/dbraw/zinc/01/61/13/979016113.db2.gz WUMLTGNUWCNIJL-UHFFFAOYSA-N 1 2 233.315 1.463 20 0 BDADLO CC(C)[C@@H](C)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181229166 979024890 /nfs/dbraw/zinc/02/48/90/979024890.db2.gz IJVNRWUCRHPYJW-SECBINFHSA-N 1 2 221.304 1.367 20 0 BDADLO Nc1cc(CC(=O)N2C3CCC2CC3)cc[nH+]1 ZINC001181264193 979030167 /nfs/dbraw/zinc/03/01/67/979030167.db2.gz UEJARGOKQRLGOB-UHFFFAOYSA-N 1 2 231.299 1.360 20 0 BDADLO COc1cncc(C[NH+]2CC3(COC3)C2)c1C ZINC001235467514 979052455 /nfs/dbraw/zinc/05/24/55/979052455.db2.gz OMVFWZVWYFAXNP-UHFFFAOYSA-N 1 2 234.299 1.231 20 0 BDADLO Cc1nc(CN(C)Cc2c(C)[nH+]cn2C)no1 ZINC001235539656 979077516 /nfs/dbraw/zinc/07/75/16/979077516.db2.gz XWMPATXWBNQTDR-UHFFFAOYSA-N 1 2 235.291 1.052 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1CCCC(=O)CC1 ZINC001235540174 979077931 /nfs/dbraw/zinc/07/79/31/979077931.db2.gz YZQQOTTZNSDRSI-UHFFFAOYSA-N 1 2 221.304 1.284 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1CCCC(=O)CC1 ZINC001235540174 979077939 /nfs/dbraw/zinc/07/79/39/979077939.db2.gz YZQQOTTZNSDRSI-UHFFFAOYSA-N 1 2 221.304 1.284 20 0 BDADLO Cc1ncn(C)c1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001235546615 979083162 /nfs/dbraw/zinc/08/31/62/979083162.db2.gz DTAGOABGRAKONG-NXEZZACHSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1ncn(C)c1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001235546615 979083172 /nfs/dbraw/zinc/08/31/72/979083172.db2.gz DTAGOABGRAKONG-NXEZZACHSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cc(N)cc(NC(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC001340892987 979144728 /nfs/dbraw/zinc/14/47/28/979144728.db2.gz BREWRDDLEQJOFV-SECBINFHSA-N 1 2 243.257 1.498 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1CCCC12COC2 ZINC001235815746 979159835 /nfs/dbraw/zinc/15/98/35/979159835.db2.gz XMJCZOCCNXGRTK-UHFFFAOYSA-N 1 2 236.290 1.894 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1CCCC12COC2 ZINC001235815746 979159839 /nfs/dbraw/zinc/15/98/39/979159839.db2.gz XMJCZOCCNXGRTK-UHFFFAOYSA-N 1 2 236.290 1.894 20 0 BDADLO CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)OC ZINC001341037279 979205237 /nfs/dbraw/zinc/20/52/37/979205237.db2.gz WYUZKSMJSUKWOZ-VIFPVBQESA-N 1 2 239.323 1.062 20 0 BDADLO CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)OC ZINC001341037279 979205245 /nfs/dbraw/zinc/20/52/45/979205245.db2.gz WYUZKSMJSUKWOZ-VIFPVBQESA-N 1 2 239.323 1.062 20 0 BDADLO Cc1ccc(Nc2ncnn3cccc23)c(C)[nH+]1 ZINC001203367610 979223461 /nfs/dbraw/zinc/22/34/61/979223461.db2.gz NBVDAZUWCPMOIU-UHFFFAOYSA-N 1 2 239.282 1.907 20 0 BDADLO [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc([S-])cc1)C2 ZINC001235986787 979268569 /nfs/dbraw/zinc/26/85/69/979268569.db2.gz FPTKAUDHGIFRCS-DGCLKSJQSA-N 1 2 234.368 1.898 20 0 BDADLO [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001235986787 979268576 /nfs/dbraw/zinc/26/85/76/979268576.db2.gz FPTKAUDHGIFRCS-DGCLKSJQSA-N 1 2 234.368 1.898 20 0 BDADLO c1cn2ccc(-c3cnc4nonc4c3)cc2[nH+]1 ZINC001236017934 979305132 /nfs/dbraw/zinc/30/51/32/979305132.db2.gz HVIKKMKHCGKJOK-UHFFFAOYSA-N 1 2 237.222 1.933 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236021129 979314853 /nfs/dbraw/zinc/31/48/53/979314853.db2.gz HXUAMMWAKWYLOG-JSGCOSHPSA-N 1 2 246.310 1.226 20 0 BDADLO Cc1cc(C(=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236021129 979314872 /nfs/dbraw/zinc/31/48/72/979314872.db2.gz HXUAMMWAKWYLOG-JSGCOSHPSA-N 1 2 246.310 1.226 20 0 BDADLO CCC1(CC)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC001181878054 979348742 /nfs/dbraw/zinc/34/87/42/979348742.db2.gz IVFLBVXVQHJKIW-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO OCCCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001236142213 979406881 /nfs/dbraw/zinc/40/68/81/979406881.db2.gz BOCZCLVXZVZVKO-ZDUSSCGKSA-N 1 2 236.315 1.227 20 0 BDADLO OCCCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001236142213 979406890 /nfs/dbraw/zinc/40/68/90/979406890.db2.gz BOCZCLVXZVZVKO-ZDUSSCGKSA-N 1 2 236.315 1.227 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cnccc2C)n1C ZINC001341675550 979521848 /nfs/dbraw/zinc/52/18/48/979521848.db2.gz QMOIQNZDTOMODY-SNVBAGLBSA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cnccc2C)n1C ZINC001341675549 979522006 /nfs/dbraw/zinc/52/20/06/979522006.db2.gz QMOIQNZDTOMODY-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO Nc1ccc(-c2ccc3c(c2)CC(=O)NC3)c[nH+]1 ZINC001236316534 979527059 /nfs/dbraw/zinc/52/70/59/979527059.db2.gz NALCALXQFJQCKS-UHFFFAOYSA-N 1 2 239.278 1.503 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001604246451 979606319 /nfs/dbraw/zinc/60/63/19/979606319.db2.gz CCOZLYDSWNPZEH-GMTAPVOTSA-N 1 2 237.303 1.115 20 0 BDADLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ncccc1O ZINC001182829574 979656720 /nfs/dbraw/zinc/65/67/20/979656720.db2.gz CHZUJIPSALHVON-VIFPVBQESA-N 1 2 235.287 1.208 20 0 BDADLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ncccc1O ZINC001182829574 979656726 /nfs/dbraw/zinc/65/67/26/979656726.db2.gz CHZUJIPSALHVON-VIFPVBQESA-N 1 2 235.287 1.208 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2nccnc2Cl)C[C@@H]1O ZINC001236613951 979671820 /nfs/dbraw/zinc/67/18/20/979671820.db2.gz LJXQZYBUORACRY-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2nccnc2Cl)C[C@@H]1O ZINC001236613951 979671825 /nfs/dbraw/zinc/67/18/25/979671825.db2.gz LJXQZYBUORACRY-SCZZXKLOSA-N 1 2 241.722 1.333 20 0 BDADLO CCOC(=O)C1C[NH+](Cc2oc(C)nc2C)C1 ZINC001236590438 979672265 /nfs/dbraw/zinc/67/22/65/979672265.db2.gz ANPVOUCDHPNFGU-UHFFFAOYSA-N 1 2 238.287 1.286 20 0 BDADLO O=C(CC(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001182964939 979682836 /nfs/dbraw/zinc/68/28/36/979682836.db2.gz WLLIOBXHIGHABH-UHFFFAOYSA-N 1 2 243.257 1.771 20 0 BDADLO CCOc1ncc(C[NH+]2CCC2)cc1F ZINC001236690181 979691872 /nfs/dbraw/zinc/69/18/72/979691872.db2.gz LWVXCKXSWRRZQF-UHFFFAOYSA-N 1 2 210.252 1.825 20 0 BDADLO Oc1cc(C[NH+]2CC3(COC3)C2)ccc1F ZINC001236703469 979699120 /nfs/dbraw/zinc/69/91/20/979699120.db2.gz NWUVVRGRGNZMGL-UHFFFAOYSA-N 1 2 223.247 1.364 20 0 BDADLO C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604753605 979718723 /nfs/dbraw/zinc/71/87/23/979718723.db2.gz DUBLJKLYSDZYMG-UTUOFQBUSA-N 1 2 240.347 1.171 20 0 BDADLO C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001604753605 979718728 /nfs/dbraw/zinc/71/87/28/979718728.db2.gz DUBLJKLYSDZYMG-UTUOFQBUSA-N 1 2 240.347 1.171 20 0 BDADLO O[C@@H]1C[N@H+](CC2OC=CC2=S)C[C@@H]1F ZINC001237182186 979832594 /nfs/dbraw/zinc/83/25/94/979832594.db2.gz QYHQTHWOAFQFHZ-NKWVEPMBSA-N 1 2 217.265 1.083 20 0 BDADLO O[C@@H]1C[N@@H+](CC2OC=CC2=S)C[C@@H]1F ZINC001237182186 979832596 /nfs/dbraw/zinc/83/25/96/979832596.db2.gz QYHQTHWOAFQFHZ-NKWVEPMBSA-N 1 2 217.265 1.083 20 0 BDADLO CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001605275746 979849437 /nfs/dbraw/zinc/84/94/37/979849437.db2.gz BWXCGDFIABGKOO-RYUDHWBXSA-N 1 2 242.363 1.561 20 0 BDADLO CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C(=O)[O-])C1 ZINC001605275746 979849440 /nfs/dbraw/zinc/84/94/40/979849440.db2.gz BWXCGDFIABGKOO-RYUDHWBXSA-N 1 2 242.363 1.561 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1cc(O)cc(F)c1 ZINC001237288372 979863541 /nfs/dbraw/zinc/86/35/41/979863541.db2.gz WQSZKXAMDFDBCD-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1cc(O)cc(F)c1 ZINC001237288372 979863543 /nfs/dbraw/zinc/86/35/43/979863543.db2.gz WQSZKXAMDFDBCD-UHFFFAOYSA-N 1 2 247.273 1.953 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1ccccc1NC(C)=O ZINC001237403109 979885111 /nfs/dbraw/zinc/88/51/11/979885111.db2.gz BXSCYZYTXZUIIV-UHFFFAOYSA-N 1 2 234.299 1.666 20 0 BDADLO CC(=O)C[N@H+](C)Cc1ccccc1NC(C)=O ZINC001237403109 979885115 /nfs/dbraw/zinc/88/51/15/979885115.db2.gz BXSCYZYTXZUIIV-UHFFFAOYSA-N 1 2 234.299 1.666 20 0 BDADLO Nc1ccc(CCC(=O)N[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC001183940212 979907407 /nfs/dbraw/zinc/90/74/07/979907407.db2.gz WAAYUIYBKKQMER-NWDGAFQWSA-N 1 2 245.326 1.511 20 0 BDADLO CCn1c[nH+]cc1CN1CC(C(F)F)C1 ZINC001237594651 979944548 /nfs/dbraw/zinc/94/45/48/979944548.db2.gz VWWBEOJRVUQXFQ-UHFFFAOYSA-N 1 2 215.247 1.600 20 0 BDADLO CCn1c[nH+]cc1CN1CCCC(=O)[C@H](F)C1 ZINC001237588403 979950138 /nfs/dbraw/zinc/95/01/38/979950138.db2.gz RVGMHHWLSHNJLN-LLVKDONJSA-N 1 2 239.294 1.406 20 0 BDADLO CCn1c[nH+]cc1CN1CC(F)(F)C1 ZINC001237588339 979951436 /nfs/dbraw/zinc/95/14/36/979951436.db2.gz RGSMATQFSSKIOZ-UHFFFAOYSA-N 1 2 201.220 1.354 20 0 BDADLO Cc1[nH+]cn(Cc2ccc(-c3nn[nH]n3)o2)c1C ZINC001606099923 979955880 /nfs/dbraw/zinc/95/58/80/979955880.db2.gz PGXFEXQIGNOCLU-UHFFFAOYSA-N 1 2 244.258 1.321 20 0 BDADLO CCn1cncc1C[N@@H+]1CCC[C@H]1C(C)=O ZINC001237594246 979956030 /nfs/dbraw/zinc/95/60/30/979956030.db2.gz PGXCBTBXPMGODV-LBPRGKRZSA-N 1 2 221.304 1.456 20 0 BDADLO CCn1cncc1C[N@H+]1CCC[C@H]1C(C)=O ZINC001237594246 979956034 /nfs/dbraw/zinc/95/60/34/979956034.db2.gz PGXCBTBXPMGODV-LBPRGKRZSA-N 1 2 221.304 1.456 20 0 BDADLO CCc1[nH]ncc1C[N@H+](CC)CCOC ZINC001237651342 979994031 /nfs/dbraw/zinc/99/40/31/979994031.db2.gz KBVKDBMVLVNITK-UHFFFAOYSA-N 1 2 211.309 1.440 20 0 BDADLO CCc1[nH]ncc1C[N@@H+](CC)CCOC ZINC001237651342 979994038 /nfs/dbraw/zinc/99/40/38/979994038.db2.gz KBVKDBMVLVNITK-UHFFFAOYSA-N 1 2 211.309 1.440 20 0 BDADLO C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001606295512 979991561 /nfs/dbraw/zinc/99/15/61/979991561.db2.gz SHDQJFROSBURAS-GFCCVEGCSA-N 1 2 248.326 1.569 20 0 BDADLO C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC001606295512 979991564 /nfs/dbraw/zinc/99/15/64/979991564.db2.gz SHDQJFROSBURAS-GFCCVEGCSA-N 1 2 248.326 1.569 20 0 BDADLO CCc1[nH]ncc1C[NH+]1CC2(C1)CCOCC2 ZINC001237653078 980010065 /nfs/dbraw/zinc/01/00/65/980010065.db2.gz CGHFFHUCFLQKMN-UHFFFAOYSA-N 1 2 235.331 1.585 20 0 BDADLO COc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001237716842 980037655 /nfs/dbraw/zinc/03/76/55/980037655.db2.gz XBCRCEXNWQNZCG-UONOGXRCSA-N 1 2 233.311 1.977 20 0 BDADLO COc1ccc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001237716842 980037666 /nfs/dbraw/zinc/03/76/66/980037666.db2.gz XBCRCEXNWQNZCG-UONOGXRCSA-N 1 2 233.311 1.977 20 0 BDADLO COC(=O)CC[N@H+](Cc1ncc(C)cn1)C1CC1 ZINC001237807782 980053398 /nfs/dbraw/zinc/05/33/98/980053398.db2.gz QDIVDDIKFSWBEM-UHFFFAOYSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)CC[N@@H+](Cc1ncc(C)cn1)C1CC1 ZINC001237807782 980053411 /nfs/dbraw/zinc/05/34/11/980053411.db2.gz QDIVDDIKFSWBEM-UHFFFAOYSA-N 1 2 249.314 1.313 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@H]3OCC[C@H]32)nc1 ZINC001237804824 980054540 /nfs/dbraw/zinc/05/45/40/980054540.db2.gz XUNSPSFNLKSFEI-GHMZBOCLSA-N 1 2 219.288 1.148 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@H]3OCC[C@H]32)nc1 ZINC001237804824 980054544 /nfs/dbraw/zinc/05/45/44/980054544.db2.gz XUNSPSFNLKSFEI-GHMZBOCLSA-N 1 2 219.288 1.148 20 0 BDADLO CC[C@@H](F)C(=O)OCCc1c[nH+]cn1C ZINC001343324350 980067129 /nfs/dbraw/zinc/06/71/29/980067129.db2.gz MOVOFITYWOAFBF-SECBINFHSA-N 1 2 214.240 1.254 20 0 BDADLO Cc1ccc(C)c(C(=O)N2CC[NH+](C)CC2)n1 ZINC001184568439 980107101 /nfs/dbraw/zinc/10/71/01/980107101.db2.gz IAAGIPHRZJSYHY-UHFFFAOYSA-N 1 2 233.315 1.086 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)cc(C)n1 ZINC001343469716 980120144 /nfs/dbraw/zinc/12/01/44/980120144.db2.gz PUSBBUXEIVHNSX-UHFFFAOYSA-N 1 2 245.282 1.789 20 0 BDADLO CC(=O)C[N@@H+](C)Cc1cc(O)ccc1C ZINC001238097794 980147889 /nfs/dbraw/zinc/14/78/89/980147889.db2.gz XCWUMWIUKBNCNI-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO CC(=O)C[N@H+](C)Cc1cc(O)ccc1C ZINC001238097794 980147899 /nfs/dbraw/zinc/14/78/99/980147899.db2.gz XCWUMWIUKBNCNI-UHFFFAOYSA-N 1 2 207.273 1.721 20 0 BDADLO Cc1ccc(O)cc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001238108466 980158405 /nfs/dbraw/zinc/15/84/05/980158405.db2.gz ZLKITJCSPQILOY-BETUJISGSA-N 1 2 219.284 1.674 20 0 BDADLO Cc1ccc(O)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001238108466 980158409 /nfs/dbraw/zinc/15/84/09/980158409.db2.gz ZLKITJCSPQILOY-BETUJISGSA-N 1 2 219.284 1.674 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)n1cc[nH+]c1 ZINC001608095561 980158833 /nfs/dbraw/zinc/15/88/33/980158833.db2.gz BETZJHHMOKFEGS-WRWGMCAJSA-N 1 2 249.314 1.270 20 0 BDADLO Cn1nncc1C[N@@H+]1CCCC[C@](C)(F)C1 ZINC001238154588 980178025 /nfs/dbraw/zinc/17/80/25/980178025.db2.gz GWDQOHJIVBBJLB-NSHDSACASA-N 1 2 226.299 1.529 20 0 BDADLO Cn1nncc1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001238154588 980178029 /nfs/dbraw/zinc/17/80/29/980178029.db2.gz GWDQOHJIVBBJLB-NSHDSACASA-N 1 2 226.299 1.529 20 0 BDADLO CSCC[N@H+](C)Cc1c(N)ccnc1F ZINC001238164855 980196955 /nfs/dbraw/zinc/19/69/55/980196955.db2.gz IKTHZXOVINRAON-UHFFFAOYSA-N 1 2 229.324 1.598 20 0 BDADLO CSCC[N@@H+](C)Cc1c(N)ccnc1F ZINC001238164855 980196961 /nfs/dbraw/zinc/19/69/61/980196961.db2.gz IKTHZXOVINRAON-UHFFFAOYSA-N 1 2 229.324 1.598 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2c(N)ccnc2F)C1 ZINC001238165103 980197945 /nfs/dbraw/zinc/19/79/45/980197945.db2.gz KHYCIGHGMFCFEQ-VIFPVBQESA-N 1 2 237.278 1.214 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2c(N)ccnc2F)C1 ZINC001238165103 980197953 /nfs/dbraw/zinc/19/79/53/980197953.db2.gz KHYCIGHGMFCFEQ-VIFPVBQESA-N 1 2 237.278 1.214 20 0 BDADLO OC1C[NH+](Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001238197533 980223451 /nfs/dbraw/zinc/22/34/51/980223451.db2.gz QQYWLRWNGYYBNI-UHFFFAOYSA-N 1 2 229.283 1.253 20 0 BDADLO O=C([O-])[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC001608623394 980251378 /nfs/dbraw/zinc/25/13/78/980251378.db2.gz QXZVYSRRLZGQNS-WDEREUQCSA-N 1 2 237.303 1.116 20 0 BDADLO COc1cc(C[NH+]2CCC(O)CC2)cnc1F ZINC001238447834 980265515 /nfs/dbraw/zinc/26/55/15/980265515.db2.gz KNBDMZUAGXAKDV-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001343920689 980275038 /nfs/dbraw/zinc/27/50/38/980275038.db2.gz XCYRHSMOPOWAMK-DJLDLDEBSA-N 1 2 248.317 1.910 20 0 BDADLO C[NH+]1CC(NC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC001185774657 980277844 /nfs/dbraw/zinc/27/78/44/980277844.db2.gz SISXWMFYLQFHET-UHFFFAOYSA-N 1 2 245.326 1.611 20 0 BDADLO CCc1cc(N2CC[C@@H](C)[C@@H](O)C2)nc(CC)[nH+]1 ZINC001185969529 980310084 /nfs/dbraw/zinc/31/00/84/980310084.db2.gz NELXNPCUTPAVMF-PWSUYJOCSA-N 1 2 249.358 1.809 20 0 BDADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1 ZINC001186036755 980317338 /nfs/dbraw/zinc/31/73/38/980317338.db2.gz YWGPPRGCCPXSPB-VIFPVBQESA-N 1 2 240.328 1.062 20 0 BDADLO Cc1csc(NC(=O)C[N@H+]2CC[C@H](O)C2)c1 ZINC001186036755 980317345 /nfs/dbraw/zinc/31/73/45/980317345.db2.gz YWGPPRGCCPXSPB-VIFPVBQESA-N 1 2 240.328 1.062 20 0 BDADLO CCSCCO[C@H](C)C[NH+]1CCOCC1 ZINC001205342268 980331016 /nfs/dbraw/zinc/33/10/16/980331016.db2.gz GJCSWZRMJVHRLP-LLVKDONJSA-N 1 2 233.377 1.477 20 0 BDADLO CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1(C(=O)[O-])CCC1 ZINC001595289101 980376013 /nfs/dbraw/zinc/37/60/13/980376013.db2.gz FKBXQOMAJVIMOM-MNOVXSKESA-N 1 2 242.363 1.560 20 0 BDADLO CNc1cc(N[C@H]2CO[C@H](C3CC3)C2)nc[nH+]1 ZINC000691660310 980379362 /nfs/dbraw/zinc/37/93/62/980379362.db2.gz GTVDGUIWHWDUEX-ZJUUUORDSA-N 1 2 234.303 1.498 20 0 BDADLO CNc1cc(N[C@H]2CO[C@H](C3CC3)C2)[nH+]cn1 ZINC000691660310 980379369 /nfs/dbraw/zinc/37/93/69/980379369.db2.gz GTVDGUIWHWDUEX-ZJUUUORDSA-N 1 2 234.303 1.498 20 0 BDADLO COc1ccccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000074673223 980383181 /nfs/dbraw/zinc/38/31/81/980383181.db2.gz MWWDHMQLTWGBTD-UHFFFAOYSA-N 1 2 245.282 1.277 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)NC(=O)CO2 ZINC001239093616 980448814 /nfs/dbraw/zinc/44/88/14/980448814.db2.gz GMPYFPYOEPXKKV-UHFFFAOYSA-N 1 2 229.239 1.418 20 0 BDADLO Cn1c[nH+]cc1COC(=O)/C=C\[C@@H]1CCOC1 ZINC001344821342 980477621 /nfs/dbraw/zinc/47/76/21/980477621.db2.gz ACRHKJCPDZILKM-MXQLGCADSA-N 1 2 236.271 1.056 20 0 BDADLO Cc1nc(NCc2ccnc(F)c2)cc[nH+]1 ZINC001187199888 980486983 /nfs/dbraw/zinc/48/69/83/980486983.db2.gz WAMWVGGKOIWWME-UHFFFAOYSA-N 1 2 218.235 1.931 20 0 BDADLO O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1CCC=N1 ZINC001187356413 980523587 /nfs/dbraw/zinc/52/35/87/980523587.db2.gz YREDBCSNJCJMDN-LBPRGKRZSA-N 1 2 229.283 1.164 20 0 BDADLO Cc1c[nH]c(CCNC(=O)c2cnccc2C)[nH+]1 ZINC001188238781 980624505 /nfs/dbraw/zinc/62/45/05/980624505.db2.gz GVSUIOGXENAYRG-UHFFFAOYSA-N 1 2 244.298 1.394 20 0 BDADLO Cc1cc(CC(=O)N2CCCC2)cc(C)[nH+]1 ZINC001250290792 980706028 /nfs/dbraw/zinc/70/60/28/980706028.db2.gz YZLKKYAGQHYZAL-UHFFFAOYSA-N 1 2 218.300 1.863 20 0 BDADLO CCN(C(=O)c1ccnc(C)c1)C1C[NH+](C)C1 ZINC001188788142 980707359 /nfs/dbraw/zinc/70/73/59/980707359.db2.gz OBNRSFARNYSTIM-UHFFFAOYSA-N 1 2 233.315 1.166 20 0 BDADLO COc1ccc(CCn2cc[nH+]c2)cc1O ZINC001250316276 980747359 /nfs/dbraw/zinc/74/73/59/980747359.db2.gz GJCVJEAPLYRNPF-UHFFFAOYSA-N 1 2 218.256 1.840 20 0 BDADLO COC(=O)c1cccc(CCn2cc[nH+]c2)c1 ZINC001250315246 980752705 /nfs/dbraw/zinc/75/27/05/980752705.db2.gz HJAJPLWNFUJWFT-UHFFFAOYSA-N 1 2 230.267 1.912 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cccnc2)cc1 ZINC001239568702 980753825 /nfs/dbraw/zinc/75/38/25/980753825.db2.gz BJSLDBNDAKDPMD-CYBMUJFWSA-N 1 2 242.278 1.921 20 0 BDADLO C[C@H](CC(=O)OCCc1cnoc1)n1cc[nH+]c1 ZINC001346178049 980775090 /nfs/dbraw/zinc/77/50/90/980775090.db2.gz OZWOMTCOSGANLH-SNVBAGLBSA-N 1 2 249.270 1.608 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(c1)OCCO2 ZINC001239603407 980801583 /nfs/dbraw/zinc/80/15/83/980801583.db2.gz UDJOHOVJWXDGOB-UHFFFAOYSA-N 1 2 216.240 1.858 20 0 BDADLO O=C([C@@H]1C[C@H]1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001346389934 980826269 /nfs/dbraw/zinc/82/62/69/980826269.db2.gz PXCHGAYNFUAGGV-NXEZZACHSA-N 1 2 237.278 1.474 20 0 BDADLO CCc1cn(CC(=O)N2CCCC2)c[nH+]1 ZINC001190105136 980847350 /nfs/dbraw/zinc/84/73/50/980847350.db2.gz ZSGSDURSIXJWPA-UHFFFAOYSA-N 1 2 207.277 1.068 20 0 BDADLO CC(C)c1ccccc1C(=O)NC1C[NH+](C)C1 ZINC001190272494 980862565 /nfs/dbraw/zinc/86/25/65/980862565.db2.gz POBGMSMKLZKKOJ-UHFFFAOYSA-N 1 2 232.327 1.854 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCC=CO1 ZINC001346650253 980873785 /nfs/dbraw/zinc/87/37/85/980873785.db2.gz VNNIYSWAPRTYJH-NSHDSACASA-N 1 2 249.314 1.162 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC12CCC(CC1)C2 ZINC001346737256 980897191 /nfs/dbraw/zinc/89/71/91/980897191.db2.gz WYZDYMAVBHJITN-UHFFFAOYSA-N 1 2 247.342 1.802 20 0 BDADLO CCn1ccnc1NC(=O)CCc1[nH+]ccn1C ZINC001347037458 980953660 /nfs/dbraw/zinc/95/36/60/980953660.db2.gz UXTQFPQJHJZFJF-UHFFFAOYSA-N 1 2 247.302 1.208 20 0 BDADLO c1coc([C@@H]2CC[N@@H+](Cc3nnc[nH]3)C2)c1 ZINC001347098626 980970728 /nfs/dbraw/zinc/97/07/28/980970728.db2.gz PFVLNQGZKXOTTF-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO c1coc([C@@H]2CC[N@H+](Cc3nnc[nH]3)C2)c1 ZINC001347098626 980970731 /nfs/dbraw/zinc/97/07/31/980970731.db2.gz PFVLNQGZKXOTTF-SECBINFHSA-N 1 2 218.260 1.387 20 0 BDADLO Cc1cc(NCCC(N)=O)nc(C(C)(C)C)[nH+]1 ZINC000077928915 980992137 /nfs/dbraw/zinc/99/21/37/980992137.db2.gz VQDDKZSBABQLIN-UHFFFAOYSA-N 1 2 236.319 1.370 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)n[nH]1 ZINC001347450523 981081278 /nfs/dbraw/zinc/08/12/78/981081278.db2.gz ONDHGKSDRMGHTN-ZDUSSCGKSA-N 1 2 235.331 1.455 20 0 BDADLO Cc1nc(C(=O)Nc2cccc3[nH+]ccn32)no1 ZINC001191982843 981104806 /nfs/dbraw/zinc/10/48/06/981104806.db2.gz KSSOESVLBUEMFZ-UHFFFAOYSA-N 1 2 243.226 1.278 20 0 BDADLO CC(C)([NH2+]CC1=NOCC1)c1nccs1 ZINC001192043623 981124470 /nfs/dbraw/zinc/12/44/70/981124470.db2.gz VEKDFJYYHIHPEG-UHFFFAOYSA-N 1 2 225.317 1.744 20 0 BDADLO CC/C=C/CNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001347626063 981131950 /nfs/dbraw/zinc/13/19/50/981131950.db2.gz DLOAOOCQSGBFBI-SNAWJCMRSA-N 1 2 248.330 1.889 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCCC12CCC2 ZINC001347755835 981163892 /nfs/dbraw/zinc/16/38/92/981163892.db2.gz SODRXFXMJOPQBJ-UHFFFAOYSA-N 1 2 247.342 1.898 20 0 BDADLO Cn1nc(-c2ccc3[nH+]ccn3c2)ccc1=O ZINC001240217347 981168068 /nfs/dbraw/zinc/16/80/68/981168068.db2.gz AFIABVFEDKWVOQ-UHFFFAOYSA-N 1 2 226.239 1.095 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](F)C1 ZINC001347799124 981180716 /nfs/dbraw/zinc/18/07/16/981180716.db2.gz VIYSKJWMKQGOIC-SNVBAGLBSA-N 1 2 239.294 1.313 20 0 BDADLO CCN(OC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001347836745 981192629 /nfs/dbraw/zinc/19/26/29/981192629.db2.gz STBWHLPWPCRXAS-UHFFFAOYSA-N 1 2 211.265 1.097 20 0 BDADLO CC(C)OC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC001347851104 981196664 /nfs/dbraw/zinc/19/66/64/981196664.db2.gz SARBMPVYEOVTLO-LLVKDONJSA-N 1 2 243.372 1.765 20 0 BDADLO CC(C)OC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC001347851104 981196670 /nfs/dbraw/zinc/19/66/70/981196670.db2.gz SARBMPVYEOVTLO-LLVKDONJSA-N 1 2 243.372 1.765 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001347945098 981224097 /nfs/dbraw/zinc/22/40/97/981224097.db2.gz AFWCDYLGUOLDCL-PSASIEDQSA-N 1 2 237.303 1.008 20 0 BDADLO CCc1ccc(N2CC[C@H](OC)C2)[nH+]c1 ZINC001348019360 981250180 /nfs/dbraw/zinc/25/01/80/981250180.db2.gz DJFJSHSRBBRLPN-NSHDSACASA-N 1 2 206.289 1.869 20 0 BDADLO CC[C@@H]([NH2+]C[C@H](CC)OC)c1noc(C)n1 ZINC001193238631 981279975 /nfs/dbraw/zinc/27/99/75/981279975.db2.gz JPPGGPGYRZSIBW-VHSXEESVSA-N 1 2 227.308 1.844 20 0 BDADLO Cn1cc(-c2ccn3cc(N)[nH+]c3c2)ccc1=O ZINC001240333391 981302476 /nfs/dbraw/zinc/30/24/76/981302476.db2.gz VRLYKGROOSIHSY-UHFFFAOYSA-N 1 2 240.266 1.282 20 0 BDADLO COCCOC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001193368565 981304537 /nfs/dbraw/zinc/30/45/37/981304537.db2.gz NQQMREBFQINOPX-UHFFFAOYSA-N 1 2 249.270 1.838 20 0 BDADLO COCCOC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001193370789 981306695 /nfs/dbraw/zinc/30/66/95/981306695.db2.gz FCLATVCFUFYRMB-UHFFFAOYSA-N 1 2 235.243 1.529 20 0 BDADLO C[C@@H]1CC/C(=C/C(=O)NCCc2[nH+]ccn2C)C1 ZINC001348228574 981312875 /nfs/dbraw/zinc/31/28/75/981312875.db2.gz IWQQVDYLAZBEAS-JPQYHBGPSA-N 1 2 247.342 1.825 20 0 BDADLO Cc1c(-c2cc[nH+]c3c2CCN3)cnn1C ZINC001240385040 981345674 /nfs/dbraw/zinc/34/56/74/981345674.db2.gz KYQZWBLZFUPNTJ-UHFFFAOYSA-N 1 2 214.272 1.759 20 0 BDADLO CC(C)OC(=O)NCCOc1cc[nH+]cc1 ZINC001193522291 981370517 /nfs/dbraw/zinc/37/05/17/981370517.db2.gz MMHMULLHIFLXJK-UHFFFAOYSA-N 1 2 224.260 1.595 20 0 BDADLO Cn1cncc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC001348537780 981385804 /nfs/dbraw/zinc/38/58/04/981385804.db2.gz OOSOEQZBLZQBLH-UHFFFAOYSA-N 1 2 231.303 1.241 20 0 BDADLO Nc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496169 981415871 /nfs/dbraw/zinc/41/58/71/981415871.db2.gz JIHCZQROYDDEJE-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Nc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240496117 981416254 /nfs/dbraw/zinc/41/62/54/981416254.db2.gz GUDZMSWGANPOLO-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO COc1nccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497152 981419358 /nfs/dbraw/zinc/41/93/58/981419358.db2.gz ZMPHGDJBUMCTBU-UHFFFAOYSA-N 1 2 226.239 1.800 20 0 BDADLO Nc1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC001240508871 981435028 /nfs/dbraw/zinc/43/50/28/981435028.db2.gz NNSABUGBSKXGBM-UHFFFAOYSA-N 1 2 210.240 1.979 20 0 BDADLO Cc1cc(C[NH+]2CCC(C3(O)CC3)CC2)n[nH]1 ZINC001349564174 981582616 /nfs/dbraw/zinc/58/26/16/981582616.db2.gz MPAQABOLPARZAI-UHFFFAOYSA-N 1 2 235.331 1.455 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1C[C@H]1F ZINC001349633112 981602000 /nfs/dbraw/zinc/60/20/00/981602000.db2.gz POIVDPQFKMQRRY-DTWKUNHWSA-N 1 2 219.219 1.631 20 0 BDADLO Nc1[nH+]cccc1C1=CCC2(CC1)OCCO2 ZINC001240707670 981664201 /nfs/dbraw/zinc/66/42/01/981664201.db2.gz LSZXBWBFRJKFQN-UHFFFAOYSA-N 1 2 232.283 1.974 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@H]1CCCO1 ZINC001349790969 981747334 /nfs/dbraw/zinc/74/73/34/981747334.db2.gz CIJCVVAHEKIASL-BTDICHCPSA-N 1 2 246.310 1.794 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)OCC(C)(C)C)c1 ZINC001194401652 981797367 /nfs/dbraw/zinc/79/73/67/981797367.db2.gz PBKSHNAISKXHPF-UHFFFAOYSA-N 1 2 239.319 1.735 20 0 BDADLO Cn1cc[nH+]c1CCNC(=O)OCC(C)(C)C ZINC001194419996 981809190 /nfs/dbraw/zinc/80/91/90/981809190.db2.gz VUIAFPXDLFNGTJ-UHFFFAOYSA-N 1 2 239.319 1.735 20 0 BDADLO c1cn2ccc(-c3cnn(C4COC4)c3)cc2[nH+]1 ZINC001240784457 981822512 /nfs/dbraw/zinc/82/25/12/981822512.db2.gz FYUGVFHAOIEIJK-UHFFFAOYSA-N 1 2 240.266 1.769 20 0 BDADLO COc1ccc(OC(=O)NC2C[NH+](C)C2)cc1 ZINC001194548485 981832313 /nfs/dbraw/zinc/83/23/13/981832313.db2.gz ASZOXANCKLXPDJ-UHFFFAOYSA-N 1 2 236.271 1.098 20 0 BDADLO C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001588597651 981854565 /nfs/dbraw/zinc/85/45/65/981854565.db2.gz XPDPEAXJRGHEFX-VHSXEESVSA-N 1 2 237.303 1.073 20 0 BDADLO C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001588597651 981854567 /nfs/dbraw/zinc/85/45/67/981854567.db2.gz XPDPEAXJRGHEFX-VHSXEESVSA-N 1 2 237.303 1.073 20 0 BDADLO Cc1[nH]c(CNc2ccnn2C)[nH+]c1C ZINC001350130060 981879983 /nfs/dbraw/zinc/87/99/83/981879983.db2.gz JCEUZZVDAYUVRT-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N(C)C#N)ccn12 ZINC001585498788 981926896 /nfs/dbraw/zinc/92/68/96/981926896.db2.gz GZAQPDUGAVFGLL-UHFFFAOYSA-N 1 2 214.228 1.196 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(O)c1F ZINC001586295423 981983954 /nfs/dbraw/zinc/98/39/54/981983954.db2.gz KMJGAKSIKOYHOC-UHFFFAOYSA-N 1 2 249.245 1.227 20 0 BDADLO CC(C)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001350749647 982066328 /nfs/dbraw/zinc/06/63/28/982066328.db2.gz BWXNWPFMYOEFRS-UHFFFAOYSA-N 1 2 225.292 1.008 20 0 BDADLO CC[C@H](C)OC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001195150163 982137805 /nfs/dbraw/zinc/13/78/05/982137805.db2.gz GPERCIKXMHQFFU-JTQLQIEISA-N 1 2 249.314 1.795 20 0 BDADLO COC(=O)c1cc(-c2cc[nH+]c(N)c2)cnc1C ZINC001241170271 982317493 /nfs/dbraw/zinc/31/74/93/982317493.db2.gz FGTVVGFKCGHYFE-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO CC(C)Cn1cc(-c2cc[nH+]c(N)c2)cnc1=O ZINC001241170660 982317691 /nfs/dbraw/zinc/31/76/91/982317691.db2.gz VGAHAOUONSQVEF-UHFFFAOYSA-N 1 2 244.298 1.544 20 0 BDADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc2c[nH]nc2c1 ZINC001196040441 982391273 /nfs/dbraw/zinc/39/12/73/982391273.db2.gz WSTLWAXVPMBGJW-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc2c[nH]nc2c1 ZINC001196040441 982391278 /nfs/dbraw/zinc/39/12/78/982391278.db2.gz WSTLWAXVPMBGJW-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[C@H](C(=O)N[C@@H]1CCCC12CC2)n1cc[nH+]c1 ZINC001352011317 982435252 /nfs/dbraw/zinc/43/52/52/982435252.db2.gz WGOBZMBYOVPOGE-GHMZBOCLSA-N 1 2 233.315 1.893 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC001352081500 982456504 /nfs/dbraw/zinc/45/65/04/982456504.db2.gz OTKOVCSSFJJTHV-ONGXEEELSA-N 1 2 243.314 1.987 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC/C=C/C1CC1 ZINC001352250504 982500596 /nfs/dbraw/zinc/50/05/96/982500596.db2.gz HKIFJLYCVVBUDS-NSCUHMNNSA-N 1 2 233.315 1.435 20 0 BDADLO CO[C@@H](C[N@H+](C)Cc1ncccn1)C1CCC1 ZINC001197303826 982551205 /nfs/dbraw/zinc/55/12/05/982551205.db2.gz HDUASRGZMHNILN-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO CO[C@@H](C[N@@H+](C)Cc1ncccn1)C1CCC1 ZINC001197303826 982551211 /nfs/dbraw/zinc/55/12/11/982551211.db2.gz HDUASRGZMHNILN-LBPRGKRZSA-N 1 2 235.331 1.724 20 0 BDADLO Cn1c[nH+]cc1-c1ccc2c(cnn2C)c1 ZINC001241438178 982590866 /nfs/dbraw/zinc/59/08/66/982590866.db2.gz OEGFSJVURJIWQR-UHFFFAOYSA-N 1 2 212.256 1.974 20 0 BDADLO C[NH+]1CCN(C(=O)c2cnccc2C2CC2)CC1 ZINC001197842943 982603127 /nfs/dbraw/zinc/60/31/27/982603127.db2.gz QGQPEAVKRUANPL-UHFFFAOYSA-N 1 2 245.326 1.347 20 0 BDADLO C[C@H](C(=O)NCCc1[nH+]ccn1C)C1CC1 ZINC001352853150 982605531 /nfs/dbraw/zinc/60/55/31/982605531.db2.gz BNCZEFXCJDNAHF-VIFPVBQESA-N 1 2 221.304 1.125 20 0 BDADLO Cn1c[nH+]cc1-c1ccc([S@@](C)=O)cc1 ZINC001241478673 982635459 /nfs/dbraw/zinc/63/54/59/982635459.db2.gz DDEZDCUYSFRGSE-OAHLLOKOSA-N 1 2 220.297 1.825 20 0 BDADLO COc1nscc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC001198000228 982643055 /nfs/dbraw/zinc/64/30/55/982643055.db2.gz FEOSGCTZMBXLJN-VIFPVBQESA-N 1 2 242.344 1.620 20 0 BDADLO COc1nscc1C[N@H+]1CCOC[C@@H](C)C1 ZINC001198000228 982643059 /nfs/dbraw/zinc/64/30/59/982643059.db2.gz FEOSGCTZMBXLJN-VIFPVBQESA-N 1 2 242.344 1.620 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)NC/C=C\Cl ZINC001353174534 982747770 /nfs/dbraw/zinc/74/77/70/982747770.db2.gz RRFJUERNINZWGJ-DJWKRKHSSA-N 1 2 227.695 1.221 20 0 BDADLO Cc1cnc(N2CC[NH+](Cc3ccco3)CC2)o1 ZINC001353224188 982787404 /nfs/dbraw/zinc/78/74/04/982787404.db2.gz VHUMDCDAIJGCCK-UHFFFAOYSA-N 1 2 247.298 1.898 20 0 BDADLO CCc1nc(N2CC[C@@H](C(=O)OC)[C@H]2C)cc[nH+]1 ZINC001353277672 982815774 /nfs/dbraw/zinc/81/57/74/982815774.db2.gz KAZSVHIBTJPQPK-NXEZZACHSA-N 1 2 249.314 1.427 20 0 BDADLO Cc1ccc(CNC(=S)NC2C[NH+](C)C2)cc1 ZINC001200321974 982850682 /nfs/dbraw/zinc/85/06/82/982850682.db2.gz CDXALKFSAMDTEK-UHFFFAOYSA-N 1 2 249.383 1.273 20 0 BDADLO CCNC(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001241617215 982851513 /nfs/dbraw/zinc/85/15/13/982851513.db2.gz YVLXLMCGVVEZFH-UHFFFAOYSA-N 1 2 229.283 1.837 20 0 BDADLO Cc1c[nH]c(CCNC(=O)C2=CC=CC2)[nH+]1 ZINC001199695332 983002389 /nfs/dbraw/zinc/00/23/89/983002389.db2.gz RLYSXWBUVIYGMI-UHFFFAOYSA-N 1 2 217.272 1.263 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)Nc1cnc2ccccn12 ZINC001300434025 983035240 /nfs/dbraw/zinc/03/52/40/983035240.db2.gz HDRADLRXENTJOI-UHFFFAOYSA-N 1 2 241.254 1.239 20 0 BDADLO O=C(CC1CSC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001353863362 983037116 /nfs/dbraw/zinc/03/71/16/983037116.db2.gz UPQIQMHCHDVTEC-SECBINFHSA-N 1 2 237.328 1.197 20 0 BDADLO Cn1c[nH+]cc1CNC(=S)Nc1cccnc1 ZINC001199887137 983039589 /nfs/dbraw/zinc/03/95/89/983039589.db2.gz CGOYQAYRKJQOSN-UHFFFAOYSA-N 1 2 247.327 1.302 20 0 BDADLO C[C@](CC(=O)[O-])([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC001592317950 983133906 /nfs/dbraw/zinc/13/39/06/983133906.db2.gz NXRDULVXBSCMDS-GFCCVEGCSA-N 1 2 237.303 1.116 20 0 BDADLO Cc1ccc(-c2ccc3n[nH]nc3c2)[nH+]c1N ZINC001241940783 983155136 /nfs/dbraw/zinc/15/51/36/983155136.db2.gz SPMRSJVVXGYFTR-UHFFFAOYSA-N 1 2 225.255 1.911 20 0 BDADLO CCn1cnc(Nc2ccc(N)[nH+]c2)c1 ZINC001201280073 983158263 /nfs/dbraw/zinc/15/82/63/983158263.db2.gz YLLHRKNXRCMYNT-UHFFFAOYSA-N 1 2 203.249 1.624 20 0 BDADLO c1cc(-c2ccc3n[nH]nc3c2)c2c([nH+]1)NCC2 ZINC001241944169 983163765 /nfs/dbraw/zinc/16/37/65/983163765.db2.gz IZWRJQAQCCRVEF-UHFFFAOYSA-N 1 2 237.266 1.988 20 0 BDADLO Nc1ccc(Nc2ncncc2Cl)c[nH+]1 ZINC001201271843 983172241 /nfs/dbraw/zinc/17/22/41/983172241.db2.gz FMFXWDBAISMLAH-UHFFFAOYSA-N 1 2 221.651 1.851 20 0 BDADLO COc1cncc(Nc2ccc(N)[nH+]c2)n1 ZINC001201276025 983176616 /nfs/dbraw/zinc/17/66/16/983176616.db2.gz OOUAEVUOCRJBOL-UHFFFAOYSA-N 1 2 217.232 1.206 20 0 BDADLO C[C@H](C[NH2+][C@H]1CC[C@H](C(=O)[O-])C1)[N@H+](C)C1CC1 ZINC001592705950 983196215 /nfs/dbraw/zinc/19/62/15/983196215.db2.gz HYMKUZTWINLRJS-VWYCJHECSA-N 1 2 240.347 1.312 20 0 BDADLO C[C@H](C[NH2+][C@H]1CC[C@H](C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC001592705950 983196218 /nfs/dbraw/zinc/19/62/18/983196218.db2.gz HYMKUZTWINLRJS-VWYCJHECSA-N 1 2 240.347 1.312 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H]1CC=CCC1 ZINC001201422696 983221005 /nfs/dbraw/zinc/22/10/05/983221005.db2.gz JHYPOTFKWMQTNE-RWMBFGLXSA-N 1 2 235.327 1.775 20 0 BDADLO O=C1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H]1CC=CCC1 ZINC001201422696 983221013 /nfs/dbraw/zinc/22/10/13/983221013.db2.gz JHYPOTFKWMQTNE-RWMBFGLXSA-N 1 2 235.327 1.775 20 0 BDADLO CC(C)[NH2+]c1ccc(-n2cc(N)c(N)n2)cc1 ZINC001201489150 983258494 /nfs/dbraw/zinc/25/84/94/983258494.db2.gz LROPNSPKTHIXMA-UHFFFAOYSA-N 1 2 231.303 1.857 20 0 BDADLO CNc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001242069365 983298602 /nfs/dbraw/zinc/29/86/02/983298602.db2.gz GUOWKOJVUBKBLM-UHFFFAOYSA-N 1 2 200.245 1.768 20 0 BDADLO c1cc(-c2c[nH+]c3c(c2)CCCN3)cnn1 ZINC001242068990 983300555 /nfs/dbraw/zinc/30/05/55/983300555.db2.gz ZXTSPNJHCZGEIX-UHFFFAOYSA-N 1 2 212.256 1.539 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1nc2[nH]cnc2c(C)n1 ZINC001242070669 983304744 /nfs/dbraw/zinc/30/47/44/983304744.db2.gz IMYCXCNJYKCXMK-UHFFFAOYSA-N 1 2 240.270 1.566 20 0 BDADLO Cc1cc(N)[nH+]cc1-c1ncccc1C(N)=O ZINC001242071280 983305757 /nfs/dbraw/zinc/30/57/57/983305757.db2.gz YJGDWDCVLNAMJC-UHFFFAOYSA-N 1 2 228.255 1.133 20 0 BDADLO CCC(CC)([NH2+]C/C=C(/C)COC)C(=O)OC ZINC001354603454 983329662 /nfs/dbraw/zinc/32/96/62/983329662.db2.gz JRJVCDBEAHJKRG-FLIBITNWSA-N 1 2 243.347 1.901 20 0 BDADLO CC(C)CC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201613333 983373105 /nfs/dbraw/zinc/37/31/05/983373105.db2.gz CEMNXZHXEFOEGJ-SNVBAGLBSA-N 1 2 221.291 1.982 20 0 BDADLO CC(C)CC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201613333 983373114 /nfs/dbraw/zinc/37/31/14/983373114.db2.gz CEMNXZHXEFOEGJ-SNVBAGLBSA-N 1 2 221.291 1.982 20 0 BDADLO COc1cc[nH+]c(Nc2cncc(O)c2)c1 ZINC001201628881 983384831 /nfs/dbraw/zinc/38/48/31/983384831.db2.gz WHVKEWRRURUDNF-UHFFFAOYSA-N 1 2 217.228 1.934 20 0 BDADLO Cc1cnc(NC(=O)CCc2c[nH+]cn2C)o1 ZINC001355113848 983417901 /nfs/dbraw/zinc/41/79/01/983417901.db2.gz MBLZCKWIFRGSBF-UHFFFAOYSA-N 1 2 234.259 1.288 20 0 BDADLO CCCC[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201722957 983428765 /nfs/dbraw/zinc/42/87/65/983428765.db2.gz MPYJWBMCAIVQOS-UHFFFAOYSA-N 1 2 233.315 1.530 20 0 BDADLO CCCC[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201722957 983428778 /nfs/dbraw/zinc/42/87/78/983428778.db2.gz MPYJWBMCAIVQOS-UHFFFAOYSA-N 1 2 233.315 1.530 20 0 BDADLO CCc1cc(NCCn2ccnn2)nc(CC)[nH+]1 ZINC001355313134 983469682 /nfs/dbraw/zinc/46/96/82/983469682.db2.gz PLJLGHYKPGNMFW-UHFFFAOYSA-N 1 2 246.318 1.305 20 0 BDADLO Cn1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)n1 ZINC001201821848 983486601 /nfs/dbraw/zinc/48/66/01/983486601.db2.gz BCZNMFMKAAMDGD-UHFFFAOYSA-N 1 2 243.314 1.377 20 0 BDADLO C=CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC001356508723 983614578 /nfs/dbraw/zinc/61/45/78/983614578.db2.gz BWSHHURRGSDIMU-GFCCVEGCSA-N 1 2 245.326 1.473 20 0 BDADLO C[C@@H](C(=O)Nc1ccsn1)n1cc[nH+]c1 ZINC001152972204 983624562 /nfs/dbraw/zinc/62/45/62/983624562.db2.gz BSLBYZQWIXCJHA-ZETCQYMHSA-N 1 2 222.273 1.539 20 0 BDADLO Cc1cccc(NC(=O)NC2C[NH+](C)C2)c1 ZINC001202316577 983627844 /nfs/dbraw/zinc/62/78/44/983627844.db2.gz HAFIEEMPVHJPNF-UHFFFAOYSA-N 1 2 219.288 1.431 20 0 BDADLO COc1cccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001137528793 983631584 /nfs/dbraw/zinc/63/15/84/983631584.db2.gz UFZCXGQWTXSFEN-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO COc1cccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)n1 ZINC001137528793 983631597 /nfs/dbraw/zinc/63/15/97/983631597.db2.gz UFZCXGQWTXSFEN-NSHDSACASA-N 1 2 248.326 1.891 20 0 BDADLO CSC[C@H](O)C[NH2+]CC(F)(F)C(F)F ZINC001357167513 983670107 /nfs/dbraw/zinc/67/01/07/983670107.db2.gz WLZITTYORXHNNI-RXMQYKEDSA-N 1 2 235.246 1.200 20 0 BDADLO COc1cc(/C(C)=C/C=C/[NH3+])c(OC)cn1 ZINC001242428132 983729011 /nfs/dbraw/zinc/72/90/11/983729011.db2.gz SNUXYIXHZVMJMZ-REZHQCRGSA-N 1 2 220.272 1.975 20 0 BDADLO CC(C)n1cc(C[N@H+](C)C2(C)COC2)cn1 ZINC001137080516 983919145 /nfs/dbraw/zinc/91/91/45/983919145.db2.gz JYLZSKRGZMFEQC-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO CC(C)n1cc(C[N@@H+](C)C2(C)COC2)cn1 ZINC001137080516 983919153 /nfs/dbraw/zinc/91/91/53/983919153.db2.gz JYLZSKRGZMFEQC-UHFFFAOYSA-N 1 2 223.320 1.685 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc[nH]2)n1 ZINC001560428084 983936076 /nfs/dbraw/zinc/93/60/76/983936076.db2.gz ZZNANWUVSJZGOG-VIFPVBQESA-N 1 2 233.319 1.785 20 0 BDADLO COC(=O)[C@H]([NH3+])c1ccc(-c2cnoc2C)cc1 ZINC001242603798 983959730 /nfs/dbraw/zinc/95/97/30/983959730.db2.gz OCQHUNPJXUAOHV-GFCCVEGCSA-N 1 2 246.266 1.823 20 0 BDADLO CC(=O)c1ccc(CC[NH+]2CCOCC2)cc1 ZINC000201913640 984004864 /nfs/dbraw/zinc/00/48/64/984004864.db2.gz BYPCUVTZCUHWIW-UHFFFAOYSA-N 1 2 233.311 1.764 20 0 BDADLO Clc1ccc(C[N@@H+]2CCn3nccc3C2)cn1 ZINC001137169562 984021203 /nfs/dbraw/zinc/02/12/03/984021203.db2.gz HERKPQHEWBGGQQ-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ccc(C[N@H+]2CCn3nccc3C2)cn1 ZINC001137169562 984021215 /nfs/dbraw/zinc/02/12/15/984021215.db2.gz HERKPQHEWBGGQQ-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1ccncc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001569430055 984025179 /nfs/dbraw/zinc/02/51/79/984025179.db2.gz KSCVHPUZPZLQHU-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001596421370 984055214 /nfs/dbraw/zinc/05/52/14/984055214.db2.gz JCMNQNWEWICODN-QJPTWQEYSA-N 1 2 240.347 1.314 20 0 BDADLO CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001596421370 984055221 /nfs/dbraw/zinc/05/52/21/984055221.db2.gz JCMNQNWEWICODN-QJPTWQEYSA-N 1 2 240.347 1.314 20 0 BDADLO FCC1([NH2+]Cc2cscn2)CCOCC1 ZINC001202603173 984111492 /nfs/dbraw/zinc/11/14/92/984111492.db2.gz RORLWZQUCOJMCD-UHFFFAOYSA-N 1 2 230.308 1.751 20 0 BDADLO CCCNC(=O)NCCOc1cc[nH+]cc1 ZINC001202604445 984112594 /nfs/dbraw/zinc/11/25/94/984112594.db2.gz UEEYRKHZYAXXSB-UHFFFAOYSA-N 1 2 223.276 1.170 20 0 BDADLO O=C1CCC[N@@H+](CCC2CCOCC2)C[C@@H]1F ZINC001202611535 984123475 /nfs/dbraw/zinc/12/34/75/984123475.db2.gz SQKPNIFRHLIXKK-LBPRGKRZSA-N 1 2 243.322 1.806 20 0 BDADLO O=C1CCC[N@H+](CCC2CCOCC2)C[C@@H]1F ZINC001202611535 984123482 /nfs/dbraw/zinc/12/34/82/984123482.db2.gz SQKPNIFRHLIXKK-LBPRGKRZSA-N 1 2 243.322 1.806 20 0 BDADLO CCN(C(=O)NCc1ccccc1)C1C[NH+](C)C1 ZINC001202632442 984135703 /nfs/dbraw/zinc/13/57/03/984135703.db2.gz TUEXIGATGBEEJQ-UHFFFAOYSA-N 1 2 247.342 1.532 20 0 BDADLO Clc1ccncc1C[N@@H+]1CCCOCC1 ZINC001137231283 984198197 /nfs/dbraw/zinc/19/81/97/984198197.db2.gz JEFHMEKANPKVJV-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Clc1ccncc1C[N@H+]1CCCOCC1 ZINC001137231283 984198201 /nfs/dbraw/zinc/19/82/01/984198201.db2.gz JEFHMEKANPKVJV-UHFFFAOYSA-N 1 2 226.707 1.957 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(O)c1F ZINC001545835572 984202478 /nfs/dbraw/zinc/20/24/78/984202478.db2.gz DYHBURJRQUVLGW-UHFFFAOYSA-N 1 2 249.245 1.744 20 0 BDADLO Clc1ccncc1C[N@@H+]1CCn2nccc2C1 ZINC001137239197 984205375 /nfs/dbraw/zinc/20/53/75/984205375.db2.gz KZTFNFPSZIXBQF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Clc1ccncc1C[N@H+]1CCn2nccc2C1 ZINC001137239197 984205383 /nfs/dbraw/zinc/20/53/83/984205383.db2.gz KZTFNFPSZIXBQF-UHFFFAOYSA-N 1 2 248.717 1.947 20 0 BDADLO Cc1coc(C[N@H+]2CCC[C@]23CCN(C)C3=O)n1 ZINC001274380545 984336490 /nfs/dbraw/zinc/33/64/90/984336490.db2.gz NLTOJEAOYGCSKU-CYBMUJFWSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1coc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)n1 ZINC001274380545 984336500 /nfs/dbraw/zinc/33/65/00/984336500.db2.gz NLTOJEAOYGCSKU-CYBMUJFWSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001441123802 984473489 /nfs/dbraw/zinc/47/34/89/984473489.db2.gz OZNGRYUIIMOHGV-UHFFFAOYSA-N 1 2 216.244 1.294 20 0 BDADLO CN(C)C(=O)Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC001243069709 984491739 /nfs/dbraw/zinc/49/17/39/984491739.db2.gz WXQBBWVXGVGQPQ-UHFFFAOYSA-N 1 2 243.310 1.718 20 0 BDADLO Cc1nnc2ccc(-c3c[nH+]cn3C)cn12 ZINC001243071136 984498211 /nfs/dbraw/zinc/49/82/11/984498211.db2.gz NHBXVOGIWBKDMV-UHFFFAOYSA-N 1 2 213.244 1.438 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(N(C)C)cn1 ZINC001442577754 984501145 /nfs/dbraw/zinc/50/11/45/984501145.db2.gz ZVDVQBLBGZHJSY-LLVKDONJSA-N 1 2 248.330 1.180 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(N(C)C)cn1 ZINC001442577754 984501154 /nfs/dbraw/zinc/50/11/54/984501154.db2.gz ZVDVQBLBGZHJSY-LLVKDONJSA-N 1 2 248.330 1.180 20 0 BDADLO COCC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001443313599 984518050 /nfs/dbraw/zinc/51/80/50/984518050.db2.gz PECUPUAPBQFZED-UHFFFAOYSA-N 1 2 245.282 1.766 20 0 BDADLO Cc1cc(C[NH+]2CC3(CCN3C)C2)ccc1O ZINC001275306823 984533544 /nfs/dbraw/zinc/53/35/44/984533544.db2.gz QDTRPPBABRXZEO-UHFFFAOYSA-N 1 2 232.327 1.591 20 0 BDADLO C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CC1(F)F ZINC001444200460 984549345 /nfs/dbraw/zinc/54/93/45/984549345.db2.gz MQBZMHMICRDHRI-SECBINFHSA-N 1 2 229.230 1.114 20 0 BDADLO CN(Cc1ncccn1)c1cc(N)cc(Cl)[nH+]1 ZINC000718918645 984561942 /nfs/dbraw/zinc/56/19/42/984561942.db2.gz WZHPUIWOLGIIMB-UHFFFAOYSA-N 1 2 249.705 1.744 20 0 BDADLO COc1ccc[nH+]c1NCCc1cnoc1 ZINC000719385684 984650822 /nfs/dbraw/zinc/65/08/22/984650822.db2.gz JTVALTPYYZVHMV-UHFFFAOYSA-N 1 2 219.244 1.733 20 0 BDADLO CC[NH2+][C@H](C)C(=O)O[C@@H](C)c1cnccn1 ZINC001577814198 984804895 /nfs/dbraw/zinc/80/48/95/984804895.db2.gz RBHVCWQMGWFXCN-BDAKNGLRSA-N 1 2 223.276 1.079 20 0 BDADLO CN(C)C(=O)c1cc(-c2c[nH+]cn2C)ccc1F ZINC001243290701 984815386 /nfs/dbraw/zinc/81/53/86/984815386.db2.gz WDIDTZCUHDIFJR-UHFFFAOYSA-N 1 2 247.273 1.928 20 0 BDADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc2c1CCO2 ZINC001448869438 984823675 /nfs/dbraw/zinc/82/36/75/984823675.db2.gz HNXPCJUMAYOSOX-GFCCVEGCSA-N 1 2 246.310 1.654 20 0 BDADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc2c1CCO2 ZINC001448869438 984823676 /nfs/dbraw/zinc/82/36/76/984823676.db2.gz HNXPCJUMAYOSOX-GFCCVEGCSA-N 1 2 246.310 1.654 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1c1ccco1 ZINC001451371951 984887737 /nfs/dbraw/zinc/88/77/37/984887737.db2.gz NSYPDPILWORKFK-GHMZBOCLSA-N 1 2 245.282 1.608 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]1c1ccco1 ZINC001451371951 984887738 /nfs/dbraw/zinc/88/77/38/984887738.db2.gz NSYPDPILWORKFK-GHMZBOCLSA-N 1 2 245.282 1.608 20 0 BDADLO CNc1cc(-c2cc[nH]c(=O)c2)cc[nH+]1 ZINC001243428595 984924654 /nfs/dbraw/zinc/92/46/54/984924654.db2.gz YLTCFDATWLHUQN-UHFFFAOYSA-N 1 2 201.229 1.891 20 0 BDADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(CO)cc1 ZINC001452441391 984934418 /nfs/dbraw/zinc/93/44/18/984934418.db2.gz PEYPNETUUNUJAU-UHFFFAOYSA-N 1 2 245.282 1.094 20 0 BDADLO COc1ccccc1N(C)C(=O)Cc1c[nH]c[nH+]1 ZINC001452984501 984965919 /nfs/dbraw/zinc/96/59/19/984965919.db2.gz ONDVUFMPEQGAJK-UHFFFAOYSA-N 1 2 245.282 1.624 20 0 BDADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(OC)cn1 ZINC001453078474 984978733 /nfs/dbraw/zinc/97/87/33/984978733.db2.gz NFTZLOMPSNLRPG-JTQLQIEISA-N 1 2 235.287 1.123 20 0 BDADLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(OC)cn1 ZINC001453078474 984978784 /nfs/dbraw/zinc/97/87/84/984978784.db2.gz NFTZLOMPSNLRPG-JTQLQIEISA-N 1 2 235.287 1.123 20 0 BDADLO OCc1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001243466720 984995787 /nfs/dbraw/zinc/99/57/87/984995787.db2.gz CTCUGDKVXGATAK-UHFFFAOYSA-N 1 2 225.251 1.889 20 0 BDADLO Nc1[nH+]cccc1-c1ccn2cnnc2c1 ZINC001243473013 985016745 /nfs/dbraw/zinc/01/67/45/985016745.db2.gz QUSQDYMNMFJRIH-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO NC(=O)c1cc(F)c(-c2ccc[nH+]c2N)cc1F ZINC001243473716 985024891 /nfs/dbraw/zinc/02/48/91/985024891.db2.gz OPCXGJSDPXMZLP-UHFFFAOYSA-N 1 2 249.220 1.708 20 0 BDADLO Cc1cc(-c2ccc[nH+]c2N)ccc1C(N)=O ZINC001243473618 985026696 /nfs/dbraw/zinc/02/66/96/985026696.db2.gz NJBXYXQXWQGRIU-UHFFFAOYSA-N 1 2 227.267 1.738 20 0 BDADLO Nc1[nH+]cccc1-c1ccn2ncnc2c1 ZINC001243474963 985027130 /nfs/dbraw/zinc/02/71/30/985027130.db2.gz UVNAXXFPWJQNSH-UHFFFAOYSA-N 1 2 211.228 1.374 20 0 BDADLO Nc1[nH+]cccc1-c1ccc2c(c1)CNC2=O ZINC001243474898 985030970 /nfs/dbraw/zinc/03/09/70/985030970.db2.gz UANNPONDMKQKMX-UHFFFAOYSA-N 1 2 225.251 1.574 20 0 BDADLO CC[C@@H](C)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001257444462 985034096 /nfs/dbraw/zinc/03/40/96/985034096.db2.gz VSQADLSRYNZMOY-NXEZZACHSA-N 1 2 249.351 1.244 20 0 BDADLO COc1cccc(-c2ccc[nH+]c2N)c1C(N)=O ZINC001243476497 985034835 /nfs/dbraw/zinc/03/48/35/985034835.db2.gz DPWFOCPJLYDSSM-UHFFFAOYSA-N 1 2 243.266 1.438 20 0 BDADLO CCO/C=C\C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454539899 985039129 /nfs/dbraw/zinc/03/91/29/985039129.db2.gz KLQWHFKCRPKFCK-YVMONPNESA-N 1 2 247.298 1.099 20 0 BDADLO Nc1ccc(-c2cc(F)cc(CO)c2)c[nH+]1 ZINC001243695476 985226587 /nfs/dbraw/zinc/22/65/87/985226587.db2.gz FLGGESWNCHRRCY-UHFFFAOYSA-N 1 2 218.231 1.962 20 0 BDADLO CNc1cc(N2C[C@@H](OC)CC[C@@H]2C)nc[nH+]1 ZINC000687215807 985266711 /nfs/dbraw/zinc/26/67/11/985266711.db2.gz DSPCOAUXJURQTL-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO CNc1cc(N2C[C@@H](OC)CC[C@@H]2C)[nH+]cn1 ZINC000687215807 985266724 /nfs/dbraw/zinc/26/67/24/985266724.db2.gz DSPCOAUXJURQTL-UWVGGRQHSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000687773777 985378570 /nfs/dbraw/zinc/37/85/70/985378570.db2.gz GHDXJARHPRGOAY-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000687773777 985378578 /nfs/dbraw/zinc/37/85/78/985378578.db2.gz GHDXJARHPRGOAY-PSASIEDQSA-N 1 2 237.303 1.292 20 0 BDADLO CCC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000190278672 985462230 /nfs/dbraw/zinc/46/22/30/985462230.db2.gz MDYZFUYCNIOSID-JTQLQIEISA-N 1 2 229.320 1.628 20 0 BDADLO CCC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000190278672 985462253 /nfs/dbraw/zinc/46/22/53/985462253.db2.gz MDYZFUYCNIOSID-JTQLQIEISA-N 1 2 229.320 1.628 20 0 BDADLO C[C@H](c1csnn1)[N@H+](C)C[C@H]1CCCOC1 ZINC001459575622 985538872 /nfs/dbraw/zinc/53/88/72/985538872.db2.gz BBICHAYZOAPXFP-NXEZZACHSA-N 1 2 241.360 1.958 20 0 BDADLO C[C@H](c1csnn1)[N@@H+](C)C[C@H]1CCCOC1 ZINC001459575622 985538893 /nfs/dbraw/zinc/53/88/93/985538893.db2.gz BBICHAYZOAPXFP-NXEZZACHSA-N 1 2 241.360 1.958 20 0 BDADLO COc1cc(C2=C[NH2+]CCC2)nc(OC)n1 ZINC001243946910 985623078 /nfs/dbraw/zinc/62/30/78/985623078.db2.gz AVQASPOPZQPFFZ-UHFFFAOYSA-N 1 2 221.260 1.218 20 0 BDADLO COc1cc(C2=C[NH2+]CCC2)nc(SC)n1 ZINC001243947842 985624433 /nfs/dbraw/zinc/62/44/33/985624433.db2.gz PSDRLYIKTUTBSU-UHFFFAOYSA-N 1 2 237.328 1.931 20 0 BDADLO COc1nc(C)nc(C2=C[NH2+]CCC2)c1C ZINC001243948838 985630717 /nfs/dbraw/zinc/63/07/17/985630717.db2.gz CZEBUFUMDAPEDQ-UHFFFAOYSA-N 1 2 219.288 1.826 20 0 BDADLO O=c1cc(C2=C[NH2+]CCC2)cnn1CC1CCC1 ZINC001243952515 985660658 /nfs/dbraw/zinc/66/06/58/985660658.db2.gz RWBOBUPPZUWSST-UHFFFAOYSA-N 1 2 245.326 1.768 20 0 BDADLO Cc1nc([C@@H](C)[NH2+]CCc2cscn2)no1 ZINC001459912082 985660861 /nfs/dbraw/zinc/66/08/61/985660861.db2.gz QBZLFGXNTPLPDN-SSDOTTSWSA-N 1 2 238.316 1.728 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2C[C@H](CO)C[C@H](C)C2)no1 ZINC001460267854 985827960 /nfs/dbraw/zinc/82/79/60/985827960.db2.gz SVPNXYYNXKDWGT-ATZCPNFKSA-N 1 2 239.319 1.389 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2C[C@H](CO)C[C@H](C)C2)no1 ZINC001460267854 985827964 /nfs/dbraw/zinc/82/79/64/985827964.db2.gz SVPNXYYNXKDWGT-ATZCPNFKSA-N 1 2 239.319 1.389 20 0 BDADLO OC[C@H]([NH2+]CCF)c1cc(F)ccc1F ZINC001460948733 985957589 /nfs/dbraw/zinc/95/75/89/985957589.db2.gz KRDSRYFTIJMELY-JTQLQIEISA-N 1 2 219.206 1.557 20 0 BDADLO Cn1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cn1 ZINC001461566234 986086591 /nfs/dbraw/zinc/08/65/91/986086591.db2.gz PNGUGUGSCXRNPF-UHFFFAOYSA-N 1 2 248.334 1.126 20 0 BDADLO CCc1ncc(C[NH2+][C@@H](C)c2ccn(C)n2)cn1 ZINC001461567131 986089994 /nfs/dbraw/zinc/08/99/94/986089994.db2.gz YANAPDCKDSZPHK-JTQLQIEISA-N 1 2 245.330 1.623 20 0 BDADLO Cc1cc(NC(=O)C[C@@H]([NH3+])C(F)F)c[nH]c1=O ZINC001579627031 986146635 /nfs/dbraw/zinc/14/66/35/986146635.db2.gz WNQAISMZJQBXOU-SSDOTTSWSA-N 1 2 245.229 1.017 20 0 BDADLO Cc1ccc(C)c(C[NH2+]Cc2nc(CO)n[nH]2)c1 ZINC001461844364 986209803 /nfs/dbraw/zinc/20/98/03/986209803.db2.gz OUCQBUMWUWYTBG-UHFFFAOYSA-N 1 2 246.314 1.204 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3c[nH]nc3C2)n(C)n1 ZINC001461933272 986235053 /nfs/dbraw/zinc/23/50/53/986235053.db2.gz INNHNKDASCUOFQ-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO Cc1cc(C[N@H+]2CCc3c[nH]nc3C2)n(C)n1 ZINC001461933272 986235065 /nfs/dbraw/zinc/23/50/65/986235065.db2.gz INNHNKDASCUOFQ-UHFFFAOYSA-N 1 2 231.303 1.010 20 0 BDADLO CCOC(=O)[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC001258810984 986270384 /nfs/dbraw/zinc/27/03/84/986270384.db2.gz UDPQQXIJDJASLT-IRCOFANPSA-N 1 2 243.347 1.467 20 0 BDADLO COc1cccnc1C[NH2+]Cc1ccncc1F ZINC001462350256 986360956 /nfs/dbraw/zinc/36/09/56/986360956.db2.gz NDAMTIFIBLHWJZ-UHFFFAOYSA-N 1 2 247.273 1.914 20 0 BDADLO COc1cc(O)ccc1C[N@@H+]1CCCC12COC2 ZINC001139141477 986455433 /nfs/dbraw/zinc/45/54/33/986455433.db2.gz ADYVEJWLFVBRFK-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO COc1cc(O)ccc1C[N@H+]1CCCC12COC2 ZINC001139141477 986455463 /nfs/dbraw/zinc/45/54/63/986455463.db2.gz ADYVEJWLFVBRFK-UHFFFAOYSA-N 1 2 249.310 1.766 20 0 BDADLO CC[NH+](CC)Cc1c(Cl)nc(OC)n1C ZINC001253963543 986456090 /nfs/dbraw/zinc/45/60/90/986456090.db2.gz UOKSNGARSHEAGM-UHFFFAOYSA-N 1 2 231.727 1.924 20 0 BDADLO CCCNC(=S)NCc1c[nH+]cn1CCF ZINC001244925177 986475651 /nfs/dbraw/zinc/47/56/51/986475651.db2.gz MELIVVAJUFPBHO-UHFFFAOYSA-N 1 2 244.339 1.227 20 0 BDADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000398286218 986477099 /nfs/dbraw/zinc/47/70/99/986477099.db2.gz BLXVCQMCZJDZLN-MRVPVSSYSA-N 1 2 247.258 1.564 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001096723579 986491157 /nfs/dbraw/zinc/49/11/57/986491157.db2.gz MFXZGCPSIRGJQK-BBBLOLIVSA-N 1 2 246.301 1.426 20 0 BDADLO CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001096723579 986491174 /nfs/dbraw/zinc/49/11/74/986491174.db2.gz MFXZGCPSIRGJQK-BBBLOLIVSA-N 1 2 246.301 1.426 20 0 BDADLO Nc1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000575583428 986561709 /nfs/dbraw/zinc/56/17/09/986561709.db2.gz KTIZOJXGSLHZOO-ZCFIWIBFSA-N 1 2 201.270 1.269 20 0 BDADLO Nc1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000575583428 986561727 /nfs/dbraw/zinc/56/17/27/986561727.db2.gz KTIZOJXGSLHZOO-ZCFIWIBFSA-N 1 2 201.270 1.269 20 0 BDADLO CNc1cc(-c2cc(F)c(=O)n(C)c2)cc[nH+]1 ZINC001244977142 986568390 /nfs/dbraw/zinc/56/83/90/986568390.db2.gz SKYZUYPPYOOWED-UHFFFAOYSA-N 1 2 233.246 1.628 20 0 BDADLO c1ccc([C@H]2C[N@H+]([C@H]3CCCOC3)CCO2)nc1 ZINC001254382869 986610779 /nfs/dbraw/zinc/61/07/79/986610779.db2.gz REPLVNYNAFPGTM-GXTWGEPZSA-N 1 2 248.326 1.634 20 0 BDADLO c1ccc([C@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)nc1 ZINC001254382869 986610789 /nfs/dbraw/zinc/61/07/89/986610789.db2.gz REPLVNYNAFPGTM-GXTWGEPZSA-N 1 2 248.326 1.634 20 0 BDADLO CNc1cc(N2CCC(F)CC2)nc[nH+]1 ZINC000689460878 986618802 /nfs/dbraw/zinc/61/88/02/986618802.db2.gz ZOBMIPLGBMVYCX-UHFFFAOYSA-N 1 2 210.256 1.457 20 0 BDADLO CNc1cc(N2CCC(F)CC2)[nH+]cn1 ZINC000689460878 986618811 /nfs/dbraw/zinc/61/88/11/986618811.db2.gz ZOBMIPLGBMVYCX-UHFFFAOYSA-N 1 2 210.256 1.457 20 0 BDADLO Cc1c(NC(=O)Cn2cc[nH+]c2)n[nH]c1C1CC1 ZINC001464800903 986655023 /nfs/dbraw/zinc/65/50/23/986655023.db2.gz DJPPMXJNSCHYPP-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO Cc1c(CN2CCO[C@H](C)C2)[nH+]c2ccccn21 ZINC001137267925 986710325 /nfs/dbraw/zinc/71/03/25/986710325.db2.gz LYYBLBYEBXZQHD-LLVKDONJSA-N 1 2 245.326 1.863 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CCC1 ZINC001465607727 986726144 /nfs/dbraw/zinc/72/61/44/986726144.db2.gz QSWTYNPCTKSHTC-UHFFFAOYSA-N 1 2 221.304 1.567 20 0 BDADLO O=S1(=O)CC=C(c2cccn3cc[nH+]c23)CC1 ZINC001245209066 986728698 /nfs/dbraw/zinc/72/86/98/986728698.db2.gz UGCIYMQRBKNAJQ-UHFFFAOYSA-N 1 2 248.307 1.536 20 0 BDADLO Cc1ccc2[nH+]cc(CN3CC(=O)C3)n2c1 ZINC001137309971 986742824 /nfs/dbraw/zinc/74/28/24/986742824.db2.gz AHZPDKGPMQUXQA-UHFFFAOYSA-N 1 2 215.256 1.027 20 0 BDADLO COCn1cc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001245220960 986745960 /nfs/dbraw/zinc/74/59/60/986745960.db2.gz CFHNCQXULKGHCN-UHFFFAOYSA-N 1 2 244.298 1.550 20 0 BDADLO COC(=O)C1C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC001137314626 986754384 /nfs/dbraw/zinc/75/43/84/986754384.db2.gz KBWYHVSDJBLGLU-UHFFFAOYSA-N 1 2 244.294 1.773 20 0 BDADLO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)[nH]1 ZINC001137322560 986769947 /nfs/dbraw/zinc/76/99/47/986769947.db2.gz IMQCEEOSVVWSGK-CMPLNLGQSA-N 1 2 226.295 1.536 20 0 BDADLO Cc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)[nH]1 ZINC001137322560 986769955 /nfs/dbraw/zinc/76/99/55/986769955.db2.gz IMQCEEOSVVWSGK-CMPLNLGQSA-N 1 2 226.295 1.536 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1[nH]c(C)cc1C ZINC001137322862 986775564 /nfs/dbraw/zinc/77/55/64/986775564.db2.gz SRODHUWSYCXLKR-UHFFFAOYSA-N 1 2 223.320 1.199 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1[nH]c(C)cc1C ZINC001137322862 986775573 /nfs/dbraw/zinc/77/55/73/986775573.db2.gz SRODHUWSYCXLKR-UHFFFAOYSA-N 1 2 223.320 1.199 20 0 BDADLO CC[C@@](C)(O)C[NH2+][C@H](C)c1noc(C)n1 ZINC000393610422 986861117 /nfs/dbraw/zinc/86/11/17/986861117.db2.gz VDMNUKKVVIXQLG-GMSGAONNSA-N 1 2 213.281 1.190 20 0 BDADLO O[C@H]1C[N@H+](Cc2cccnc2Cl)CC[C@@H]1F ZINC001137420927 986891547 /nfs/dbraw/zinc/89/15/47/986891547.db2.gz CQNXRWPNFFQJHO-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO O[C@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@@H]1F ZINC001137420927 986891554 /nfs/dbraw/zinc/89/15/54/986891554.db2.gz CQNXRWPNFFQJHO-UWVGGRQHSA-N 1 2 244.697 1.640 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(CCC2)C1 ZINC001137429475 986895213 /nfs/dbraw/zinc/89/52/13/986895213.db2.gz YOWSJMIDIACPNZ-NXEZZACHSA-N 1 2 231.299 1.526 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(CCC2)C1 ZINC001137429475 986895215 /nfs/dbraw/zinc/89/52/15/986895215.db2.gz YOWSJMIDIACPNZ-NXEZZACHSA-N 1 2 231.299 1.526 20 0 BDADLO CCc1cncnc1-c1c[nH+]c(N)c(C)c1 ZINC001245535599 986903807 /nfs/dbraw/zinc/90/38/07/986903807.db2.gz KTKJJIAGQSEVGT-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO Cc1cc(-c2c(N)cncc2F)c[nH+]c1N ZINC001245536843 986913095 /nfs/dbraw/zinc/91/30/95/986913095.db2.gz MXIBSNGHGACVRK-UHFFFAOYSA-N 1 2 218.235 1.756 20 0 BDADLO Cc1cc(-c2ncccc2N)c[nH+]c1N ZINC001245535983 986916330 /nfs/dbraw/zinc/91/63/30/986916330.db2.gz JXWYVDIBHCKCIA-UHFFFAOYSA-N 1 2 200.245 1.616 20 0 BDADLO COC(=O)c1cc(-c2c[nH+]c(N)c(C)c2)ccn1 ZINC001245538191 986920334 /nfs/dbraw/zinc/92/03/34/986920334.db2.gz YIOGOYIHYOYAPK-UHFFFAOYSA-N 1 2 243.266 1.821 20 0 BDADLO CCc1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245538061 986920853 /nfs/dbraw/zinc/92/08/53/986920853.db2.gz OJPMKFLCQWPWHO-UHFFFAOYSA-N 1 2 214.272 1.992 20 0 BDADLO Cc1nc2cc(-c3c[nH+]c(N)c(C)c3)ccn2n1 ZINC001245539104 986928484 /nfs/dbraw/zinc/92/84/84/986928484.db2.gz QVBUIVMWAFXGGB-UHFFFAOYSA-N 1 2 239.282 1.990 20 0 BDADLO CC[N@H+](C)Cc1nnc([C@@H]2CCOC2)o1 ZINC001255548087 987004602 /nfs/dbraw/zinc/00/46/02/987004602.db2.gz HSCIJHOGMCUYFA-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO CC[N@@H+](C)Cc1nnc([C@@H]2CCOC2)o1 ZINC001255548087 987004618 /nfs/dbraw/zinc/00/46/18/987004618.db2.gz HSCIJHOGMCUYFA-MRVPVSSYSA-N 1 2 211.265 1.025 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCn2cnnc2C1 ZINC001255645966 987041024 /nfs/dbraw/zinc/04/10/24/987041024.db2.gz KGOIWPFLDDKCKJ-ZETCQYMHSA-N 1 2 234.225 1.435 20 0 BDADLO C[C@@H](CC(F)(F)F)[N@H+]1CCn2cnnc2C1 ZINC001255645966 987041037 /nfs/dbraw/zinc/04/10/37/987041037.db2.gz KGOIWPFLDDKCKJ-ZETCQYMHSA-N 1 2 234.225 1.435 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CC(C3CC3)C2)c1 ZINC001470447183 987049219 /nfs/dbraw/zinc/04/92/19/987049219.db2.gz UMXIPLFZYFAAFW-UHFFFAOYSA-N 1 2 248.330 1.014 20 0 BDADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccsn1 ZINC001471454375 987092196 /nfs/dbraw/zinc/09/21/96/987092196.db2.gz QHIONRMKGSNXCF-MRVPVSSYSA-N 1 2 239.344 1.954 20 0 BDADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccsn1 ZINC001471454375 987092207 /nfs/dbraw/zinc/09/22/07/987092207.db2.gz QHIONRMKGSNXCF-MRVPVSSYSA-N 1 2 239.344 1.954 20 0 BDADLO O=C1CC(C2CC[NH2+]CC2)=NN1CC1CC1 ZINC001245918089 987151337 /nfs/dbraw/zinc/15/13/37/987151337.db2.gz PYOZKVKCGMZWKC-UHFFFAOYSA-N 1 2 221.304 1.466 20 0 BDADLO [NH3+]Cc1cc(=O)n(Cc2ccc(F)cc2)[nH]1 ZINC001245923944 987164217 /nfs/dbraw/zinc/16/42/17/987164217.db2.gz LHRANDHGYGUHEV-UHFFFAOYSA-N 1 2 221.235 1.235 20 0 BDADLO COc1cccc(Cn2[nH]c(C[NH3+])cc2=O)c1 ZINC001245922308 987165925 /nfs/dbraw/zinc/16/59/25/987165925.db2.gz BRLJBZZHYBFDKF-UHFFFAOYSA-N 1 2 233.271 1.104 20 0 BDADLO C[C@H](Cn1[nH]c(C[NH3+])cc1=O)c1ccccc1 ZINC001245925679 987172628 /nfs/dbraw/zinc/17/26/28/987172628.db2.gz ZQDCBJZRIDJFDH-SNVBAGLBSA-N 1 2 231.299 1.851 20 0 BDADLO CN(CCCNc1ncccn1)c1cccc[nH+]1 ZINC001472863471 987294924 /nfs/dbraw/zinc/29/49/24/987294924.db2.gz QBDSLVLVANBESC-UHFFFAOYSA-N 1 2 243.314 1.810 20 0 BDADLO CCc1cn(CC(=O)[C@@H]2CCOC2)c[nH+]1 ZINC001473086954 987328900 /nfs/dbraw/zinc/32/89/00/987328900.db2.gz FFSIEVKFIKYZFS-SECBINFHSA-N 1 2 208.261 1.051 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000695296478 987331824 /nfs/dbraw/zinc/33/18/24/987331824.db2.gz XKZYMRJEOUOOFH-DUWGPSABSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000695296478 987331833 /nfs/dbraw/zinc/33/18/33/987331833.db2.gz XKZYMRJEOUOOFH-DUWGPSABSA-N 1 2 239.315 1.217 20 0 BDADLO OCC[C@H]1CCCN1c1cc[nH+]cc1F ZINC000699635944 987376193 /nfs/dbraw/zinc/37/61/93/987376193.db2.gz LJXVKSQCOMSZOY-SECBINFHSA-N 1 2 210.252 1.572 20 0 BDADLO C[C@H](C(=O)N1CC[C@H](C)C1)n1cc[nH+]c1 ZINC001116234352 987488800 /nfs/dbraw/zinc/48/88/00/987488800.db2.gz BUBFLAIZMHZEPM-VHSXEESVSA-N 1 2 207.277 1.313 20 0 BDADLO Cc1ncc([C@@H](C)[NH2+]Cc2nncn2C)c(C)n1 ZINC001116291163 987510431 /nfs/dbraw/zinc/51/04/31/987510431.db2.gz IREZCTNANZHVAA-MRVPVSSYSA-N 1 2 246.318 1.073 20 0 BDADLO Cc1c[nH]c(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001116321736 987514438 /nfs/dbraw/zinc/51/44/38/987514438.db2.gz MFPAKWMBDRVBSO-MRVPVSSYSA-N 1 2 219.248 1.114 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@@](C)(CO)C2)n[nH]1 ZINC001116443622 987579220 /nfs/dbraw/zinc/57/92/20/987579220.db2.gz DKDWHHIIEOSOAG-GFCCVEGCSA-N 1 2 223.320 1.313 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@@](C)(CO)C2)n[nH]1 ZINC001116443622 987579229 /nfs/dbraw/zinc/57/92/29/987579229.db2.gz DKDWHHIIEOSOAG-GFCCVEGCSA-N 1 2 223.320 1.313 20 0 BDADLO C[C@@H](C(=O)N1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001116479025 987596289 /nfs/dbraw/zinc/59/62/89/987596289.db2.gz CUPRHVCVJNJEJD-QMMMGPOBSA-N 1 2 229.230 1.312 20 0 BDADLO C[C@@H]1CC[C@@H]([NH2+]C2(CO)CCCC2)C[NH2+]1 ZINC001246204889 987599185 /nfs/dbraw/zinc/59/91/85/987599185.db2.gz PZEMJDHSVGISSC-GHMZBOCLSA-N 1 2 212.337 1.022 20 0 BDADLO CCc1cc(C[NH2+]Cc2ccc(C)nn2)on1 ZINC001474020397 987628747 /nfs/dbraw/zinc/62/87/47/987628747.db2.gz NVDVQRVHAOEBHU-UHFFFAOYSA-N 1 2 232.287 1.625 20 0 BDADLO CCc1cc(C[NH2+]Cc2cncn2CC)on1 ZINC001474019875 987630382 /nfs/dbraw/zinc/63/03/82/987630382.db2.gz IIMKMUCTXPUMCL-UHFFFAOYSA-N 1 2 234.303 1.743 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)[nH]n1 ZINC001116773619 987704189 /nfs/dbraw/zinc/70/41/89/987704189.db2.gz OJUWDZMUYDQGMP-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)[nH]n1 ZINC001116773619 987704193 /nfs/dbraw/zinc/70/41/93/987704193.db2.gz OJUWDZMUYDQGMP-SECBINFHSA-N 1 2 249.236 1.217 20 0 BDADLO COC(=O)C1CC([NH2+][C@@H](C)c2csnn2)C1 ZINC001474585329 987770521 /nfs/dbraw/zinc/77/05/21/987770521.db2.gz QINSXNVWRNIALE-KKMMWDRVSA-N 1 2 241.316 1.140 20 0 BDADLO C[NH+](C)Cc1nnc(CC[C@@H]2CCCO2)o1 ZINC001117260728 987814395 /nfs/dbraw/zinc/81/43/95/987814395.db2.gz SUYCIQCTQDGSOT-VIFPVBQESA-N 1 2 225.292 1.243 20 0 BDADLO CC(C)(C)[C@H](CC(=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC001589704936 987815696 /nfs/dbraw/zinc/81/56/96/987815696.db2.gz GMPXPNYYBXRJPY-JTQLQIEISA-N 1 2 239.319 1.362 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)N[C@@H]1C=CCCC1 ZINC001478169116 987871906 /nfs/dbraw/zinc/87/19/06/987871906.db2.gz NEDOWQFPXQOGJU-LLVKDONJSA-N 1 2 246.314 1.572 20 0 BDADLO Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]2C2CC2)c1 ZINC001478784495 987885537 /nfs/dbraw/zinc/88/55/37/987885537.db2.gz QBHOMMDXKYQLOJ-GFCCVEGCSA-N 1 2 248.330 1.157 20 0 BDADLO C[C@H](C(=O)NCCCOC(F)F)n1cc[nH+]c1 ZINC001321464815 987916024 /nfs/dbraw/zinc/91/60/24/987916024.db2.gz BMQMSUUOXBXCIV-MRVPVSSYSA-N 1 2 247.245 1.190 20 0 BDADLO CCCCOCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001322065653 988095625 /nfs/dbraw/zinc/09/56/25/988095625.db2.gz GJTQVJCMCAXSIH-LLVKDONJSA-N 1 2 239.319 1.377 20 0 BDADLO CCC(O)(CC)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001322156470 988140033 /nfs/dbraw/zinc/14/00/33/988140033.db2.gz IMMDZIJRSMWGQK-JTQLQIEISA-N 1 2 239.319 1.111 20 0 BDADLO CCC[C@@H](C)C(=O)NCC1C[NH+](CCF)C1 ZINC001494533616 988148732 /nfs/dbraw/zinc/14/87/32/988148732.db2.gz FIHFIPHNWHNORI-SNVBAGLBSA-N 1 2 230.327 1.440 20 0 BDADLO C[C@@H](C(=O)N1CCO[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001322643034 988352196 /nfs/dbraw/zinc/35/21/96/988352196.db2.gz YMVQKQLWTDBCNO-VWYCJHECSA-N 1 2 237.303 1.080 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1CC[C@H]1C)n1cc[nH+]c1 ZINC001322790823 988383590 /nfs/dbraw/zinc/38/35/90/988383590.db2.gz YUWHNEDZUIXKBP-KXUCPTDWSA-N 1 2 207.277 1.359 20 0 BDADLO CC(C)=CC(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001497520348 988391161 /nfs/dbraw/zinc/39/11/61/988391161.db2.gz DPSMRHCATZMJPQ-ARJAWSKDSA-N 1 2 249.314 1.403 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]C[C@@H](O)c2ccccn2)n1 ZINC001118576169 988456504 /nfs/dbraw/zinc/45/65/04/988456504.db2.gz IBSWGWQYPKRFMB-LDYMZIIASA-N 1 2 248.286 1.157 20 0 BDADLO CC(=O)N[C@H](C)C[N@H+](C)Cc1ncc(C)s1 ZINC001498205355 988467509 /nfs/dbraw/zinc/46/75/09/988467509.db2.gz DRXSBOVFGYVHFC-MRVPVSSYSA-N 1 2 241.360 1.408 20 0 BDADLO CC(=O)N[C@H](C)C[N@@H+](C)Cc1ncc(C)s1 ZINC001498205355 988467516 /nfs/dbraw/zinc/46/75/16/988467516.db2.gz DRXSBOVFGYVHFC-MRVPVSSYSA-N 1 2 241.360 1.408 20 0 BDADLO CC(C)=CC(=O)NC[C@H]1CC[N@@H+]1CCF ZINC001498920675 988516467 /nfs/dbraw/zinc/51/64/67/988516467.db2.gz PBXCDMGIHFWPLH-SNVBAGLBSA-N 1 2 214.284 1.113 20 0 BDADLO CC(C)=CC(=O)NC[C@H]1CC[N@H+]1CCF ZINC001498920675 988516478 /nfs/dbraw/zinc/51/64/78/988516478.db2.gz PBXCDMGIHFWPLH-SNVBAGLBSA-N 1 2 214.284 1.113 20 0 BDADLO C[C@@H](C(=O)N[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC001118724565 988526502 /nfs/dbraw/zinc/52/65/02/988526502.db2.gz BSGKRWQMANMACN-VHSXEESVSA-N 1 2 205.261 1.279 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)n[nH]1 ZINC001118756557 988554945 /nfs/dbraw/zinc/55/49/45/988554945.db2.gz GIIFAGMLHZASDA-ONGXEEELSA-N 1 2 223.320 1.168 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)n[nH]1 ZINC001118756557 988554960 /nfs/dbraw/zinc/55/49/60/988554960.db2.gz GIIFAGMLHZASDA-ONGXEEELSA-N 1 2 223.320 1.168 20 0 BDADLO CC[C@@H](C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001118782599 988584144 /nfs/dbraw/zinc/58/41/44/988584144.db2.gz UQOYLCMYTRVWQE-MNOVXSKESA-N 1 2 223.320 1.997 20 0 BDADLO O=C(/C=C/[C@@H]1CCOC1)N[C@H]1CCn2c[nH+]cc21 ZINC001118793660 988593079 /nfs/dbraw/zinc/59/30/79/988593079.db2.gz ORAMIUPQWDDKLA-OIDVMBJGSA-N 1 2 247.298 1.037 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001501774180 988620240 /nfs/dbraw/zinc/62/02/40/988620240.db2.gz ZANDLAYDSCCPIG-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1CC ZINC001501774180 988620254 /nfs/dbraw/zinc/62/02/54/988620254.db2.gz ZANDLAYDSCCPIG-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(F)F ZINC001548717881 988658855 /nfs/dbraw/zinc/65/88/55/988658855.db2.gz QFCOWBNMSBUQDA-HTQZYQBOSA-N 1 2 243.257 1.215 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+]Cc2nncn2C)c1 ZINC001324000930 988665832 /nfs/dbraw/zinc/66/58/32/988665832.db2.gz UCNGXDAZXLUEHP-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO CN(CC[C@@H]1CCCO1)c1cc(N)nc[nH+]1 ZINC001548514784 988678159 /nfs/dbraw/zinc/67/81/59/988678159.db2.gz QMZQWZLNGTXPSC-VIFPVBQESA-N 1 2 222.292 1.064 20 0 BDADLO Cc1nonc1C[N@@H+]1CC(C)(C)C1(C)C ZINC001324244206 988766965 /nfs/dbraw/zinc/76/69/65/988766965.db2.gz HYLWUNIKRHTJSL-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nonc1C[N@H+]1CC(C)(C)C1(C)C ZINC001324244206 988766974 /nfs/dbraw/zinc/76/69/74/988766974.db2.gz HYLWUNIKRHTJSL-UHFFFAOYSA-N 1 2 209.293 1.998 20 0 BDADLO CC(C)C1(NC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001324328151 988802448 /nfs/dbraw/zinc/80/24/48/988802448.db2.gz YZLMNNLMTMLQAJ-SNVBAGLBSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@@H](C(=O)N1C[C@@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001324372756 988820635 /nfs/dbraw/zinc/82/06/35/988820635.db2.gz DWOCOWVFLPKEPA-BBBLOLIVSA-N 1 2 207.277 1.311 20 0 BDADLO CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)(C)C ZINC001324438084 988838771 /nfs/dbraw/zinc/83/87/71/988838771.db2.gz KRWMYUBKFMTECK-UHFFFAOYSA-N 1 2 248.330 1.643 20 0 BDADLO CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)(C)C ZINC001324438084 988838772 /nfs/dbraw/zinc/83/87/72/988838772.db2.gz KRWMYUBKFMTECK-UHFFFAOYSA-N 1 2 248.330 1.643 20 0 BDADLO OCCc1[nH]c2cc3c(cc2[nH+]1)CCC3 ZINC001247011829 988839273 /nfs/dbraw/zinc/83/92/73/988839273.db2.gz WBYQYXNDCUCCCG-UHFFFAOYSA-N 1 2 202.257 1.586 20 0 BDADLO CC(C)c1ncc(C(=O)NCc2c[nH+]cn2C)[nH]1 ZINC001119107157 988839903 /nfs/dbraw/zinc/83/99/03/988839903.db2.gz JMTJACKUMHXGRW-UHFFFAOYSA-N 1 2 247.302 1.197 20 0 BDADLO c1cn(-c2ccccc2-c2ncon2)c[nH+]1 ZINC001247394364 988874804 /nfs/dbraw/zinc/87/48/04/988874804.db2.gz MHOXPZCGOOVEHO-UHFFFAOYSA-N 1 2 212.212 1.922 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+]C[C@@H](O)C1CC1)C(C)C ZINC001324702037 988937520 /nfs/dbraw/zinc/93/75/20/988937520.db2.gz UFXGJEUINQOPLO-NEPJUHHUSA-N 1 2 243.347 1.323 20 0 BDADLO [NH3+][C@@H](CO)c1nc(-c2cccc3occc32)no1 ZINC001247608703 988944753 /nfs/dbraw/zinc/94/47/53/988944753.db2.gz RTAPPFCPULRGOO-VIFPVBQESA-N 1 2 245.238 1.475 20 0 BDADLO [NH3+][C@@H](CO)c1nc(-c2cccc(F)c2F)no1 ZINC001247613878 988948736 /nfs/dbraw/zinc/94/87/36/988948736.db2.gz VKXGMTZULFZIKH-ZETCQYMHSA-N 1 2 241.197 1.007 20 0 BDADLO C[C@H]1CCC(F)(F)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001514905608 988965683 /nfs/dbraw/zinc/96/56/83/988965683.db2.gz ISPWCNPJEQDQQV-QMMMGPOBSA-N 1 2 243.257 1.598 20 0 BDADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC(F)(F)F ZINC001515228611 989007017 /nfs/dbraw/zinc/00/70/17/989007017.db2.gz UVJQCROEMOHAMW-QMMMGPOBSA-N 1 2 239.237 1.965 20 0 BDADLO CC(C)[N@H+]1CCC[C@H]1C(=O)OCC(F)(F)F ZINC001515228611 989007025 /nfs/dbraw/zinc/00/70/25/989007025.db2.gz UVJQCROEMOHAMW-QMMMGPOBSA-N 1 2 239.237 1.965 20 0 BDADLO Cn1c[nH+]cc1CNC(=S)NCC(C)(C)C ZINC001247932213 989038607 /nfs/dbraw/zinc/03/86/07/989038607.db2.gz WQSHQXPTVITLIC-UHFFFAOYSA-N 1 2 240.376 1.430 20 0 BDADLO COC(=O)NC1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001325012020 989055764 /nfs/dbraw/zinc/05/57/64/989055764.db2.gz FLSYZYAPVCTRRT-UHFFFAOYSA-N 1 2 248.326 1.844 20 0 BDADLO COC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2C)no1 ZINC001248183950 989075038 /nfs/dbraw/zinc/07/50/38/989075038.db2.gz GLJBGHPZACUUML-LLVKDONJSA-N 1 2 247.298 2.000 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1C ZINC001119449040 989082175 /nfs/dbraw/zinc/08/21/75/989082175.db2.gz PHHAAJRMHFIBBC-CYBMUJFWSA-N 1 2 235.331 1.373 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1C ZINC001119449040 989082189 /nfs/dbraw/zinc/08/21/89/989082189.db2.gz PHHAAJRMHFIBBC-CYBMUJFWSA-N 1 2 235.331 1.373 20 0 BDADLO Cc1cc(F)cc(N2C[C@@H](O)C3(CC3)C2)[nH+]1 ZINC001515658993 989095098 /nfs/dbraw/zinc/09/50/98/989095098.db2.gz MKTANZFYPRXZQM-SNVBAGLBSA-N 1 2 222.263 1.490 20 0 BDADLO OCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248503610 989107737 /nfs/dbraw/zinc/10/77/37/989107737.db2.gz FUBLZBRPYGFIBK-UHFFFAOYSA-N 1 2 242.238 1.415 20 0 BDADLO Cc1cc(F)cc(N2CC[C@@H](O)[C@H]2C)[nH+]1 ZINC001515805848 989121424 /nfs/dbraw/zinc/12/14/24/989121424.db2.gz SNSILOVIEJLCOG-PSASIEDQSA-N 1 2 210.252 1.489 20 0 BDADLO CCc1nc(N2CC[C@]3(CCOC3=O)C2)cc[nH+]1 ZINC001516291626 989146230 /nfs/dbraw/zinc/14/62/30/989146230.db2.gz GZKCUYZNVOQDKR-ZDUSSCGKSA-N 1 2 247.298 1.182 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2n1CCC2 ZINC001248820950 989176802 /nfs/dbraw/zinc/17/68/02/989176802.db2.gz ISPRJIKGEJAQBZ-LLVKDONJSA-N 1 2 220.316 1.655 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2n1CCC2 ZINC001248820950 989176811 /nfs/dbraw/zinc/17/68/11/989176811.db2.gz ISPRJIKGEJAQBZ-LLVKDONJSA-N 1 2 220.316 1.655 20 0 BDADLO Cc1nonc1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001248857354 989196583 /nfs/dbraw/zinc/19/65/83/989196583.db2.gz ZVBMJQUTOFLEQM-DTORHVGOSA-N 1 2 221.260 1.074 20 0 BDADLO Cc1nonc1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001248857354 989196589 /nfs/dbraw/zinc/19/65/89/989196589.db2.gz ZVBMJQUTOFLEQM-DTORHVGOSA-N 1 2 221.260 1.074 20 0 BDADLO CC1C[NH+](Cc2cnn3ccc(Cl)nc23)C1 ZINC001248875730 989207945 /nfs/dbraw/zinc/20/79/45/989207945.db2.gz XOGKEZWPQUEDDM-UHFFFAOYSA-N 1 2 236.706 1.834 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H](C)CSC ZINC001518046943 989272765 /nfs/dbraw/zinc/27/27/65/989272765.db2.gz AWFJTGCAIBQXMB-VIFPVBQESA-N 1 2 242.344 1.945 20 0 BDADLO CON1CC[C@H]([N@H+](C)CCC(F)(F)F)C1=O ZINC001119675701 989324143 /nfs/dbraw/zinc/32/41/43/989324143.db2.gz HMBGAUSOSLTVMP-ZETCQYMHSA-N 1 2 240.225 1.033 20 0 BDADLO CON1CC[C@H]([N@@H+](C)CCC(F)(F)F)C1=O ZINC001119675701 989324154 /nfs/dbraw/zinc/32/41/54/989324154.db2.gz HMBGAUSOSLTVMP-ZETCQYMHSA-N 1 2 240.225 1.033 20 0 BDADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cn[nH]c1 ZINC001119696520 989345667 /nfs/dbraw/zinc/34/56/67/989345667.db2.gz YAUDDFKKEYFPBP-WEDXCCLWSA-N 1 2 232.291 1.358 20 0 BDADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)nc1)c1nncn1C ZINC001119733128 989375177 /nfs/dbraw/zinc/37/51/77/989375177.db2.gz XVKLVBKVGKISHN-RKDXNWHRSA-N 1 2 249.293 1.761 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC001119771880 989400675 /nfs/dbraw/zinc/40/06/75/989400675.db2.gz SOJAEVAEKKXUQM-SRVKXCTJSA-N 1 2 242.363 1.210 20 0 BDADLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCN(C)[C@@H](C)C1 ZINC001119771880 989400677 /nfs/dbraw/zinc/40/06/77/989400677.db2.gz SOJAEVAEKKXUQM-SRVKXCTJSA-N 1 2 242.363 1.210 20 0 BDADLO CC(C)(COC(=O)C1CC1)n1cc[nH+]c1 ZINC001519584287 989432922 /nfs/dbraw/zinc/43/29/22/989432922.db2.gz RHAYXBVCSWSKIQ-UHFFFAOYSA-N 1 2 208.261 1.571 20 0 BDADLO C[C@H]1CC[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001519699256 989447959 /nfs/dbraw/zinc/44/79/59/989447959.db2.gz CAZMCJQKFRJYCA-RYUDHWBXSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@@H]1CC[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001519699251 989448058 /nfs/dbraw/zinc/44/80/58/989448058.db2.gz CAZMCJQKFRJYCA-NEPJUHHUSA-N 1 2 249.358 2.000 20 0 BDADLO C[NH+](C)Cc1nnc(CCC2CCC2)o1 ZINC001326293349 989470686 /nfs/dbraw/zinc/47/06/86/989470686.db2.gz ZYKHWGGURXZLPY-UHFFFAOYSA-N 1 2 209.293 1.864 20 0 BDADLO CCON(C(=O)CCc1[nH+]ccn1C)C(C)C ZINC001520265452 989536851 /nfs/dbraw/zinc/53/68/51/989536851.db2.gz WZNCEMJDNCIZIU-UHFFFAOYSA-N 1 2 239.319 1.541 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC1(C)C ZINC001520347243 989547596 /nfs/dbraw/zinc/54/75/96/989547596.db2.gz PQSXHIPKQOIKPK-ZDUSSCGKSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1c[nH+]cc1COC(=O)c1ccnc(C)c1 ZINC001520443184 989562298 /nfs/dbraw/zinc/56/22/98/989562298.db2.gz XMVDDKUXLBULBT-UHFFFAOYSA-N 1 2 245.282 1.963 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001520761966 989597480 /nfs/dbraw/zinc/59/74/80/989597480.db2.gz UICCIHDDWOOVPZ-SNVBAGLBSA-N 1 2 235.331 1.610 20 0 BDADLO CCNc1cc(CNC(=O)NCC2CC2)cc[nH+]1 ZINC001520890010 989616829 /nfs/dbraw/zinc/61/68/29/989616829.db2.gz IAPXNZWOCCJCBF-UHFFFAOYSA-N 1 2 248.330 1.723 20 0 BDADLO C[C@@H](C(=O)N1CCC[C@H](F)C1)n1cc[nH+]c1 ZINC001326627398 989631231 /nfs/dbraw/zinc/63/12/31/989631231.db2.gz POHLVEMVZLITDF-UWVGGRQHSA-N 1 2 225.267 1.405 20 0 BDADLO Cn1cc[nH+]c1CCC(=O)N1CC2(C1)CCCC2 ZINC001521335152 989684850 /nfs/dbraw/zinc/68/48/50/989684850.db2.gz MONWUWXHJDAJFT-UHFFFAOYSA-N 1 2 247.342 1.755 20 0 BDADLO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC001326795882 989720279 /nfs/dbraw/zinc/72/02/79/989720279.db2.gz NDBDVJFWJUZYNM-VHSXEESVSA-N 1 2 246.318 1.325 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccns1 ZINC001120663878 989821049 /nfs/dbraw/zinc/82/10/49/989821049.db2.gz OWXCDWDXUDUXQE-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO [NH3+][C@H](CC(=O)N(C1CC1)C1CC1)C(F)F ZINC001522185789 989835957 /nfs/dbraw/zinc/83/59/57/989835957.db2.gz ZNQMIFCIVHNBFC-MRVPVSSYSA-N 1 2 218.247 1.122 20 0 BDADLO CN(CC1CCC1)C(=O)CCCn1cc[nH+]c1 ZINC001120758191 989867954 /nfs/dbraw/zinc/86/79/54/989867954.db2.gz BORGLJNWEGZTJO-UHFFFAOYSA-N 1 2 235.331 1.922 20 0 BDADLO Cc1cc(F)cc(N2CC(F)(F)C[C@H]2CO)[nH+]1 ZINC001120839050 989913560 /nfs/dbraw/zinc/91/35/60/989913560.db2.gz OUEJDJILXFVUCC-VIFPVBQESA-N 1 2 246.232 1.735 20 0 BDADLO CCc1ccc(N(C)CC[NH+]2CCOCC2)nc1 ZINC001120895223 989949191 /nfs/dbraw/zinc/94/91/91/989949191.db2.gz CJZLATFHKVCBCN-UHFFFAOYSA-N 1 2 249.358 1.412 20 0 BDADLO Cc1cn2cc(NC(=O)[C@H]3C[C@@H]3F)ccc2[nH+]1 ZINC001120973854 989992786 /nfs/dbraw/zinc/99/27/86/989992786.db2.gz GLOXPQBTTVGXDU-UWVGGRQHSA-N 1 2 233.246 1.939 20 0 BDADLO c1cnc(CNc2cc(NC3CC3)[nH+]cn2)cn1 ZINC001121015001 990001762 /nfs/dbraw/zinc/00/17/62/990001762.db2.gz XTLKDYPPUVONAP-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO c1cnc(CNc2cc(NC3CC3)nc[nH+]2)cn1 ZINC001121015001 990001771 /nfs/dbraw/zinc/00/17/71/990001771.db2.gz XTLKDYPPUVONAP-UHFFFAOYSA-N 1 2 242.286 1.453 20 0 BDADLO C[C@@H](C(=O)OCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC001524832394 990019039 /nfs/dbraw/zinc/01/90/39/990019039.db2.gz WEBBCCPJMJALQF-MWLCHTKSSA-N 1 2 238.287 1.278 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C1=CCOCC1 ZINC001121231228 990053441 /nfs/dbraw/zinc/05/34/41/990053441.db2.gz JPJYPRDJHYIIRK-UHFFFAOYSA-N 1 2 232.283 1.406 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H]1C[C@@H]1C1CC1 ZINC001527011372 990199592 /nfs/dbraw/zinc/19/95/92/990199592.db2.gz BTJWXNSBHTZCOI-NEPJUHHUSA-N 1 2 234.299 1.992 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1F ZINC001527706519 990239392 /nfs/dbraw/zinc/23/93/92/990239392.db2.gz IYEQKOINCIFUHW-ZJUUUORDSA-N 1 2 225.267 1.138 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1C=CCCC1)C(F)F ZINC001122119170 990247375 /nfs/dbraw/zinc/24/73/75/990247375.db2.gz QUBBOLGQKZDDAK-HTQZYQBOSA-N 1 2 218.247 1.194 20 0 BDADLO C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1cncs1 ZINC001122294077 990325532 /nfs/dbraw/zinc/32/55/32/990325532.db2.gz PTMRSSIUHKXQDM-NTSWFWBYSA-N 1 2 249.286 1.303 20 0 BDADLO CCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001122350398 990351501 /nfs/dbraw/zinc/35/15/01/990351501.db2.gz YIBNQZFVCYEOGZ-VIFPVBQESA-N 1 2 225.292 1.160 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ccsn1 ZINC001533254947 990423229 /nfs/dbraw/zinc/42/32/29/990423229.db2.gz RKNJAOQRIMZRDO-UHFFFAOYSA-N 1 2 236.300 1.759 20 0 BDADLO CCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001122618818 990425115 /nfs/dbraw/zinc/42/51/15/990425115.db2.gz RGEJAURSIFIINK-SNVBAGLBSA-N 1 2 239.319 1.550 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H]1C[C@@H]1C ZINC001123470542 990589566 /nfs/dbraw/zinc/58/95/66/990589566.db2.gz SGXHYQOYGWFEQG-WCBMZHEXSA-N 1 2 208.261 1.602 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@H](OC)C(C)C ZINC001123472572 990590363 /nfs/dbraw/zinc/59/03/63/990590363.db2.gz JFTOHQMMBDQFOU-LLVKDONJSA-N 1 2 240.303 1.617 20 0 BDADLO CCn1c[nH+]cc1COC(=O)[C@@H](OC)C1CC1 ZINC001123473209 990590857 /nfs/dbraw/zinc/59/08/57/990590857.db2.gz PWXPAGLXBPHWHK-NSHDSACASA-N 1 2 238.287 1.371 20 0 BDADLO CNc1cc(CNC(=O)N2CC=CCC2)cc[nH+]1 ZINC001123695557 990648295 /nfs/dbraw/zinc/64/82/95/990648295.db2.gz UBWRUGYSOBAIKC-UHFFFAOYSA-N 1 2 246.314 1.595 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)CC[C@@H]1C ZINC001544558235 990728252 /nfs/dbraw/zinc/72/82/52/990728252.db2.gz YDDRNBAFXLNULO-ZJUUUORDSA-N 1 2 235.331 1.908 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC1([C@@H]2CCCO2)CCC1 ZINC001124118490 990754486 /nfs/dbraw/zinc/75/44/86/990754486.db2.gz IMSQOBOSZNHBDP-NSHDSACASA-N 1 2 249.314 1.101 20 0 BDADLO Cc1nccnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001548510228 990765702 /nfs/dbraw/zinc/76/57/02/990765702.db2.gz AZEDNKWWNBECQN-UHFFFAOYSA-N 1 2 243.314 1.892 20 0 BDADLO Cc1cc(C)c(NC(=O)NOCCO)c(C)[nH+]1 ZINC001562900587 990793549 /nfs/dbraw/zinc/79/35/49/990793549.db2.gz JTKPATXKMMWYBX-UHFFFAOYSA-N 1 2 239.275 1.052 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CC=C(C)CC1 ZINC001556086200 990805228 /nfs/dbraw/zinc/80/52/28/990805228.db2.gz PJQYFVTYIMQTFR-UHFFFAOYSA-N 1 2 219.288 1.439 20 0 BDADLO CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001556273086 990816901 /nfs/dbraw/zinc/81/69/01/990816901.db2.gz LLJBMRMLCAGREX-GHMZBOCLSA-N 1 2 235.331 1.610 20 0 BDADLO COC(=O)C1C[NH+](Cc2cccc(C)c2F)C1 ZINC001137673405 990837654 /nfs/dbraw/zinc/83/76/54/990837654.db2.gz BQZFMLPUWQCUDY-UHFFFAOYSA-N 1 2 237.274 1.739 20 0 BDADLO Cc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1O ZINC001137935056 990870200 /nfs/dbraw/zinc/87/02/00/990870200.db2.gz CEECBINRXZFHQV-UHFFFAOYSA-N 1 2 231.255 1.605 20 0 BDADLO CC[C@H](C)CC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001557841741 990914228 /nfs/dbraw/zinc/91/42/28/990914228.db2.gz QEQKBUSEENHXSV-JTQLQIEISA-N 1 2 247.342 1.985 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2C[C@@H]2C)c[nH+]1 ZINC001558497297 990948909 /nfs/dbraw/zinc/94/89/09/990948909.db2.gz JEIDUELHOPYTEJ-IONNQARKSA-N 1 2 207.277 1.244 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2C[C@@H]2C)[nH+]1 ZINC001558497297 990948917 /nfs/dbraw/zinc/94/89/17/990948917.db2.gz JEIDUELHOPYTEJ-IONNQARKSA-N 1 2 207.277 1.244 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@@H]2CC=CCC2)c[nH+]1 ZINC001558497266 990950900 /nfs/dbraw/zinc/95/09/00/990950900.db2.gz IDBQGRHJCGLFOH-SNVBAGLBSA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@@H]2CC=CCC2)[nH+]1 ZINC001558497266 990950914 /nfs/dbraw/zinc/95/09/14/990950914.db2.gz IDBQGRHJCGLFOH-SNVBAGLBSA-N 1 2 233.315 1.945 20 0 BDADLO CCc1[nH]c(CNC(=O)[C@H]2C[C@H](C)CO2)c[nH+]1 ZINC001558498107 990954592 /nfs/dbraw/zinc/95/45/92/990954592.db2.gz OIQCHZIKFICSGU-WCBMZHEXSA-N 1 2 237.303 1.013 20 0 BDADLO CCc1[nH]cc(CNC(=O)[C@H]2C[C@H](C)CO2)[nH+]1 ZINC001558498107 990954600 /nfs/dbraw/zinc/95/46/00/990954600.db2.gz OIQCHZIKFICSGU-WCBMZHEXSA-N 1 2 237.303 1.013 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)Cc2ccon2)[nH+]1 ZINC001558561606 990967822 /nfs/dbraw/zinc/96/78/22/990967822.db2.gz SGZVGWTURHDWMP-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)Cc2ccon2)c[nH+]1 ZINC001558561606 990967830 /nfs/dbraw/zinc/96/78/30/990967830.db2.gz SGZVGWTURHDWMP-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO CNc1ncccc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001138689887 991003499 /nfs/dbraw/zinc/00/34/99/991003499.db2.gz PJQYCGUKWXYDOG-LLVKDONJSA-N 1 2 247.342 1.924 20 0 BDADLO CNc1ncccc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001138689887 991003503 /nfs/dbraw/zinc/00/35/03/991003503.db2.gz PJQYCGUKWXYDOG-LLVKDONJSA-N 1 2 247.342 1.924 20 0 BDADLO Nc1c(Cl)cccc1C[NH2+]Cc1cnn[nH]1 ZINC001308476411 991005259 /nfs/dbraw/zinc/00/52/59/991005259.db2.gz YHUZBYXNMRMTLM-UHFFFAOYSA-N 1 2 237.694 1.330 20 0 BDADLO Cn1cnc(CNc2[nH+]c3ccccc3n2C)c1 ZINC001308500561 991009685 /nfs/dbraw/zinc/00/96/85/991009685.db2.gz DGYBJUVCEBKEQV-UHFFFAOYSA-N 1 2 241.298 1.919 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738153 991030535 /nfs/dbraw/zinc/03/05/35/991030535.db2.gz YLCZYJJFLOOJBQ-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnc2[nH]ccc2c1 ZINC001138738153 991030543 /nfs/dbraw/zinc/03/05/43/991030543.db2.gz YLCZYJJFLOOJBQ-SNVBAGLBSA-N 1 2 231.299 1.784 20 0 BDADLO CC1(O)C[NH+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138737221 991031062 /nfs/dbraw/zinc/03/10/62/991031062.db2.gz PGISGRFPPNQZNP-UHFFFAOYSA-N 1 2 217.272 1.130 20 0 BDADLO C[C@H]1CC([N@@H+]2CCOC(=O)C2)C[C@H](C)C1 ZINC001258171096 991068961 /nfs/dbraw/zinc/06/89/61/991068961.db2.gz NZHUGBAKPAFXFS-NXEZZACHSA-N 1 2 211.305 1.670 20 0 BDADLO C[C@H]1CC([N@H+]2CCOC(=O)C2)C[C@H](C)C1 ZINC001258171096 991068968 /nfs/dbraw/zinc/06/89/68/991068968.db2.gz NZHUGBAKPAFXFS-NXEZZACHSA-N 1 2 211.305 1.670 20 0 BDADLO OC[C@H]1CCC[N@@H+]1Cc1cc(F)cnc1Cl ZINC001138890786 991095797 /nfs/dbraw/zinc/09/57/97/991095797.db2.gz IPRQIUVPJYBSQB-SNVBAGLBSA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@H]1CCC[N@H+]1Cc1cc(F)cnc1Cl ZINC001138890786 991095801 /nfs/dbraw/zinc/09/58/01/991095801.db2.gz IPRQIUVPJYBSQB-SNVBAGLBSA-N 1 2 244.697 1.831 20 0 BDADLO C[C@@H](Cc1ccco1)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258192260 991100994 /nfs/dbraw/zinc/10/09/94/991100994.db2.gz KAEPUFJSFNBUOT-QXEWZRGKSA-N 1 2 240.278 1.108 20 0 BDADLO C[C@@H](Cc1ccco1)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258192260 991100998 /nfs/dbraw/zinc/10/09/98/991100998.db2.gz KAEPUFJSFNBUOT-QXEWZRGKSA-N 1 2 240.278 1.108 20 0 BDADLO Cc1c[nH]c(C[N@@H+]2CCc3ccncc3C2)n1 ZINC001138940290 991109306 /nfs/dbraw/zinc/10/93/06/991109306.db2.gz HZKIGIQESNALBB-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO Cc1c[nH]c(C[N@H+]2CCc3ccncc3C2)n1 ZINC001138940290 991109311 /nfs/dbraw/zinc/10/93/11/991109311.db2.gz HZKIGIQESNALBB-UHFFFAOYSA-N 1 2 228.299 1.671 20 0 BDADLO COC(=O)C1([NH2+][C@@H](C)CCSC)CCC1 ZINC001258197883 991109627 /nfs/dbraw/zinc/10/96/27/991109627.db2.gz AMYRUDQHPBCYEK-VIFPVBQESA-N 1 2 231.361 1.813 20 0 BDADLO CC(=O)[C@H]1CC[N@H+](Cc2nc(C)c[nH]2)C1 ZINC001138938473 991110431 /nfs/dbraw/zinc/11/04/31/991110431.db2.gz QKRVPJQEOZGAGX-JTQLQIEISA-N 1 2 207.277 1.129 20 0 BDADLO CC(=O)[C@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC001138938473 991110439 /nfs/dbraw/zinc/11/04/39/991110439.db2.gz QKRVPJQEOZGAGX-JTQLQIEISA-N 1 2 207.277 1.129 20 0 BDADLO CCCn1cc(C[N@H+](C)Cc2cncnc2)cn1 ZINC001139042467 991131086 /nfs/dbraw/zinc/13/10/86/991131086.db2.gz FPADMOUAKCCPNS-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO CCCn1cc(C[N@@H+](C)Cc2cncnc2)cn1 ZINC001139042467 991131090 /nfs/dbraw/zinc/13/10/90/991131090.db2.gz FPADMOUAKCCPNS-UHFFFAOYSA-N 1 2 245.330 1.715 20 0 BDADLO CCCn1cc(C[N@@H+]2CCCC23COC3)cn1 ZINC001139040501 991133259 /nfs/dbraw/zinc/13/32/59/991133259.db2.gz GBACBVPEAXVLBC-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCCn1cc(C[N@H+]2CCCC23COC3)cn1 ZINC001139040501 991133262 /nfs/dbraw/zinc/13/32/62/991133262.db2.gz GBACBVPEAXVLBC-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO C[N@H+](CCC(=O)N1CCCC1)Cc1ccon1 ZINC001559553553 991154214 /nfs/dbraw/zinc/15/42/14/991154214.db2.gz GKKRUIGMMULKCH-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO C[N@@H+](CCC(=O)N1CCCC1)Cc1ccon1 ZINC001559553553 991154225 /nfs/dbraw/zinc/15/42/25/991154225.db2.gz GKKRUIGMMULKCH-UHFFFAOYSA-N 1 2 237.303 1.119 20 0 BDADLO COc1cc(O)ccc1C[N@H+](C)CCF ZINC001139144544 991166442 /nfs/dbraw/zinc/16/64/42/991166442.db2.gz UBVMMXLQOXZXCR-UHFFFAOYSA-N 1 2 213.252 1.802 20 0 BDADLO COc1cc(O)ccc1C[N@@H+](C)CCF ZINC001139144544 991166451 /nfs/dbraw/zinc/16/64/51/991166451.db2.gz UBVMMXLQOXZXCR-UHFFFAOYSA-N 1 2 213.252 1.802 20 0 BDADLO O=C1C[N@@H+](C2CCCCCCC2)CCO1 ZINC001258244040 991186428 /nfs/dbraw/zinc/18/64/28/991186428.db2.gz LJFHRIBNHIGUAP-UHFFFAOYSA-N 1 2 211.305 1.958 20 0 BDADLO O=C1C[N@H+](C2CCCCCCC2)CCO1 ZINC001258244040 991186434 /nfs/dbraw/zinc/18/64/34/991186434.db2.gz LJFHRIBNHIGUAP-UHFFFAOYSA-N 1 2 211.305 1.958 20 0 BDADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(N)s1 ZINC001139230204 991211685 /nfs/dbraw/zinc/21/16/85/991211685.db2.gz YHFAJKIYNKHPFZ-VIFPVBQESA-N 1 2 225.317 1.279 20 0 BDADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(N)s1 ZINC001139230204 991211697 /nfs/dbraw/zinc/21/16/97/991211697.db2.gz YHFAJKIYNKHPFZ-VIFPVBQESA-N 1 2 225.317 1.279 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(N(C)C)n2)C[C@H](C)O1 ZINC001559690645 991217915 /nfs/dbraw/zinc/21/79/15/991217915.db2.gz RCJYEROBFNUCHX-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(N(C)C)n2)C[C@H](C)O1 ZINC001559690645 991217925 /nfs/dbraw/zinc/21/79/25/991217925.db2.gz RCJYEROBFNUCHX-TXEJJXNPSA-N 1 2 249.358 1.757 20 0 BDADLO CCC1(C[NH+]2C[C@@H](F)[C@H](F)C2)COC1 ZINC001202926090 991230943 /nfs/dbraw/zinc/23/09/43/991230943.db2.gz HJPKGRFITPZSKV-RKDXNWHRSA-N 1 2 205.248 1.405 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H]2C)c[nH+]1 ZINC001339411055 991262795 /nfs/dbraw/zinc/26/27/95/991262795.db2.gz WHZKZVRLRUEYSR-GXSJLCMTSA-N 1 2 235.331 1.841 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139566488 991272164 /nfs/dbraw/zinc/27/21/64/991272164.db2.gz NLFZJZCAPJDVLV-LLVKDONJSA-N 1 2 249.289 1.430 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139566488 991272172 /nfs/dbraw/zinc/27/21/72/991272172.db2.gz NLFZJZCAPJDVLV-LLVKDONJSA-N 1 2 249.289 1.430 20 0 BDADLO O[C@H]1CCC[N@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139566489 991275164 /nfs/dbraw/zinc/27/51/64/991275164.db2.gz NLFZJZCAPJDVLV-NSHDSACASA-N 1 2 249.289 1.430 20 0 BDADLO O[C@H]1CCC[N@@H+](Cc2cn3c(cccc3F)n2)C1 ZINC001139566489 991275177 /nfs/dbraw/zinc/27/51/77/991275177.db2.gz NLFZJZCAPJDVLV-NSHDSACASA-N 1 2 249.289 1.430 20 0 BDADLO COc1cc(C[NH+]2CC(CO)C2)ccc1Cl ZINC001139621766 991295785 /nfs/dbraw/zinc/29/57/85/991295785.db2.gz PYTRRRZORBHZKV-UHFFFAOYSA-N 1 2 241.718 1.773 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)nc1 ZINC001559899706 991311055 /nfs/dbraw/zinc/31/10/55/991311055.db2.gz PGGKGYZSRLBYPH-NSHDSACASA-N 1 2 230.315 1.974 20 0 BDADLO CCCOC1C[NH+]([C@@H](C)CCC(=O)OC)C1 ZINC001258369986 991319800 /nfs/dbraw/zinc/31/98/00/991319800.db2.gz JRCFGQSDLKABCG-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO Cn1ncc2c1CCC[N@H+](Cc1ccno1)C2 ZINC001559906621 991319969 /nfs/dbraw/zinc/31/99/69/991319969.db2.gz WGLLAECUCYBXAP-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO Cn1ncc2c1CCC[N@@H+](Cc1ccno1)C2 ZINC001559906621 991319980 /nfs/dbraw/zinc/31/99/80/991319980.db2.gz WGLLAECUCYBXAP-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)C=C[C@@H]1CCOC1 ZINC001340810399 991331286 /nfs/dbraw/zinc/33/12/86/991331286.db2.gz IPEZXEVUFCGFPJ-VSQXVHSFSA-N 1 2 246.310 1.652 20 0 BDADLO CC(=O)OC1C[NH+](Cc2c(C)cc(O)cc2C)C1 ZINC001139713772 991337950 /nfs/dbraw/zinc/33/79/50/991337950.db2.gz ITLTZTDMBFLXLA-UHFFFAOYSA-N 1 2 249.310 1.756 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnc3cccnc3c2)CCO1 ZINC001139738447 991353516 /nfs/dbraw/zinc/35/35/16/991353516.db2.gz OUNFYRUWFICGIB-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnc3cccnc3c2)CCO1 ZINC001139738447 991353525 /nfs/dbraw/zinc/35/35/25/991353525.db2.gz OUNFYRUWFICGIB-LLVKDONJSA-N 1 2 243.310 1.851 20 0 BDADLO COCCn1cc(C[NH+]2CC(C(F)F)C2)cn1 ZINC001139783929 991368588 /nfs/dbraw/zinc/36/85/88/991368588.db2.gz VOZBWXGMJLGJJN-UHFFFAOYSA-N 1 2 245.273 1.226 20 0 BDADLO Nc1[nH+]cccc1CNC(=O)NCCCC1CC1 ZINC001312926884 991369547 /nfs/dbraw/zinc/36/95/47/991369547.db2.gz XDYMIBIFMCHLLU-UHFFFAOYSA-N 1 2 248.330 1.653 20 0 BDADLO CCN(Cc1ncc(C)s1)C1C[NH+](C)C1 ZINC001139812707 991377162 /nfs/dbraw/zinc/37/71/62/991377162.db2.gz MSIZELVDLFNMOD-UHFFFAOYSA-N 1 2 225.361 1.587 20 0 BDADLO Fc1cc(C[NH+]2CC3(CSC3)C2)ccn1 ZINC001139834936 991389281 /nfs/dbraw/zinc/38/92/81/991389281.db2.gz CTZAVIHIUHIDMV-UHFFFAOYSA-N 1 2 224.304 1.770 20 0 BDADLO Cn1ncc2ccc(C[NH+]3CC(C)(O)C3)cc21 ZINC001139905049 991414326 /nfs/dbraw/zinc/41/43/26/991414326.db2.gz WWHHISAIJHHNQV-UHFFFAOYSA-N 1 2 231.299 1.140 20 0 BDADLO Cn1ccc(C[N@H+](C)C[C@@H]2COC(C)(C)O2)n1 ZINC001560218596 991420706 /nfs/dbraw/zinc/42/07/06/991420706.db2.gz JDPMYVIPZSUHQN-LLVKDONJSA-N 1 2 239.319 1.003 20 0 BDADLO Cn1ccc(C[N@@H+](C)C[C@@H]2COC(C)(C)O2)n1 ZINC001560218596 991420714 /nfs/dbraw/zinc/42/07/14/991420714.db2.gz JDPMYVIPZSUHQN-LLVKDONJSA-N 1 2 239.319 1.003 20 0 BDADLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cn1 ZINC001139932652 991422617 /nfs/dbraw/zinc/42/26/17/991422617.db2.gz HMTSFEQXOFVJEB-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cn1 ZINC001139932652 991422620 /nfs/dbraw/zinc/42/26/20/991422620.db2.gz HMTSFEQXOFVJEB-RYUDHWBXSA-N 1 2 204.273 1.363 20 0 BDADLO Cn1ncc2cc(C[N@@H+]3CCC34COC4)ccc21 ZINC001139951269 991430044 /nfs/dbraw/zinc/43/00/44/991430044.db2.gz UCEKMZPUEQSRSP-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO Cn1ncc2cc(C[N@H+]3CCC34COC4)ccc21 ZINC001139951269 991430048 /nfs/dbraw/zinc/43/00/48/991430048.db2.gz UCEKMZPUEQSRSP-UHFFFAOYSA-N 1 2 243.310 1.548 20 0 BDADLO c1cnnc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC001139973985 991448693 /nfs/dbraw/zinc/44/86/93/991448693.db2.gz PMAHKSOAUPFDKC-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO c1cnnc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC001139973985 991448699 /nfs/dbraw/zinc/44/86/99/991448699.db2.gz PMAHKSOAUPFDKC-LBPRGKRZSA-N 1 2 219.288 1.087 20 0 BDADLO CCOC(=O)CC[C@H](C)[NH+]1CC2(C1)CCCO2 ZINC001258492700 991463089 /nfs/dbraw/zinc/46/30/89/991463089.db2.gz UEGLRFFFOWKLLX-NSHDSACASA-N 1 2 241.331 1.583 20 0 BDADLO Clc1ncc(C[NH+]2CC(C3COC3)C2)cn1 ZINC001139987490 991467109 /nfs/dbraw/zinc/46/71/09/991467109.db2.gz URDAKXHAZMQTGO-UHFFFAOYSA-N 1 2 239.706 1.208 20 0 BDADLO OCC1CC[NH+](Cc2cnc(Cl)nc2)CC1 ZINC001139988280 991469825 /nfs/dbraw/zinc/46/98/25/991469825.db2.gz SRDDQEAHKDIZBO-UHFFFAOYSA-N 1 2 241.722 1.334 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001140052147 991501304 /nfs/dbraw/zinc/50/13/04/991501304.db2.gz HAVIBZBGOLMIBI-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001140052147 991501314 /nfs/dbraw/zinc/50/13/14/991501314.db2.gz HAVIBZBGOLMIBI-ZDUSSCGKSA-N 1 2 237.274 1.896 20 0 BDADLO Cc1cccn2c(CNc3cnnn3C)c[nH+]c12 ZINC001560620154 991523129 /nfs/dbraw/zinc/52/31/29/991523129.db2.gz RHVVTBQBKNZAAE-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO COCCCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318092111 991620186 /nfs/dbraw/zinc/62/01/86/991620186.db2.gz UHYKSFFPGDPUEH-NSHDSACASA-N 1 2 239.319 1.377 20 0 BDADLO C[C@H](Cc1ccno1)[NH2+]C(CF)CF ZINC001560848154 991621733 /nfs/dbraw/zinc/62/17/33/991621733.db2.gz FSGKRHUHXKMPDM-SSDOTTSWSA-N 1 2 204.220 1.503 20 0 BDADLO CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318225752 991636618 /nfs/dbraw/zinc/63/66/18/991636618.db2.gz GXHJXYWHZDKYGJ-GHMZBOCLSA-N 1 2 223.320 1.947 20 0 BDADLO O=C1N=CNC(=O)C1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001140469689 991647154 /nfs/dbraw/zinc/64/71/54/991647154.db2.gz VVLYKMJAXZFWLM-NXEZZACHSA-N 1 2 249.314 1.510 20 0 BDADLO O=C1N=CNC(=O)C1C[N@H+]1CCC[C@H](CF)C1 ZINC001140472513 991651998 /nfs/dbraw/zinc/65/19/98/991651998.db2.gz UCJTZEOKENNWPY-MRVPVSSYSA-N 1 2 241.266 1.069 20 0 BDADLO O=C1N=CNC(=O)C1C[N@@H+]1CCC[C@H](CF)C1 ZINC001140472513 991652009 /nfs/dbraw/zinc/65/20/09/991652009.db2.gz UCJTZEOKENNWPY-MRVPVSSYSA-N 1 2 241.266 1.069 20 0 BDADLO CCCc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC001318378587 991655123 /nfs/dbraw/zinc/65/51/23/991655123.db2.gz GVZIKFPRGAFHCG-SECBINFHSA-N 1 2 247.302 1.758 20 0 BDADLO CNc1ccccc1C[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001474724490 991675028 /nfs/dbraw/zinc/67/50/28/991675028.db2.gz ROTULVXSRQRKFT-LBPRGKRZSA-N 1 2 246.314 1.275 20 0 BDADLO CCCn1c[nH+]cc1CNC1(c2ncon2)CC1 ZINC001561022272 991689639 /nfs/dbraw/zinc/68/96/39/991689639.db2.gz KZDHEPLBELZUOA-UHFFFAOYSA-N 1 2 247.302 1.455 20 0 BDADLO CSCCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318619305 991690408 /nfs/dbraw/zinc/69/04/08/991690408.db2.gz OWFMMHCYDJVFQD-JTQLQIEISA-N 1 2 241.360 1.704 20 0 BDADLO Cc1ccccc1C[NH2+][C@H](CO)c1ncc[nH]1 ZINC001561022349 991690744 /nfs/dbraw/zinc/69/07/44/991690744.db2.gz NBVAPGSEIKPWJV-GFCCVEGCSA-N 1 2 231.299 1.541 20 0 BDADLO COC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001318689254 991700042 /nfs/dbraw/zinc/70/00/42/991700042.db2.gz PUADFQFIDQVPKI-MNOVXSKESA-N 1 2 239.319 1.231 20 0 BDADLO Cc1c(NC(=O)[C@H](C)n2cc[nH+]c2)cnn1C ZINC001319139156 991801223 /nfs/dbraw/zinc/80/12/23/991801223.db2.gz VGSHHFUTAYPMMA-VIFPVBQESA-N 1 2 233.275 1.125 20 0 BDADLO C[C@H]1CN(C(=O)c2cnoc2C2CC2)CC[N@@H+]1C ZINC001565731333 991802016 /nfs/dbraw/zinc/80/20/16/991802016.db2.gz CAQPCGIPWSXFJC-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1CN(C(=O)c2cnoc2C2CC2)CC[N@H+]1C ZINC001565731333 991802024 /nfs/dbraw/zinc/80/20/24/991802024.db2.gz CAQPCGIPWSXFJC-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cc(C)n[nH]2)C[C@@H](C)O1 ZINC001319700034 991941650 /nfs/dbraw/zinc/94/16/50/991941650.db2.gz IPDWDSUSXAYAQM-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cc(C)n[nH]2)C[C@@H](C)O1 ZINC001319700034 991941672 /nfs/dbraw/zinc/94/16/72/991941672.db2.gz IPDWDSUSXAYAQM-PWSUYJOCSA-N 1 2 223.320 1.717 20 0 BDADLO Cc1cc(C[N@@H+]2CCOCC23CCCC3)[nH]n1 ZINC001319715280 991947474 /nfs/dbraw/zinc/94/74/74/991947474.db2.gz LLGFDAOVWJWYJS-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1cc(C[N@H+]2CCOCC23CCCC3)[nH]n1 ZINC001319715280 991947492 /nfs/dbraw/zinc/94/74/92/991947492.db2.gz LLGFDAOVWJWYJS-UHFFFAOYSA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)n1c[nH+]cc1CNS(=O)(=O)C1CC1 ZINC001259279713 991951763 /nfs/dbraw/zinc/95/17/63/991951763.db2.gz VQEDUBRKBCGKTA-UHFFFAOYSA-N 1 2 243.332 1.046 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCc2cnccn2)o1 ZINC001319742911 991960188 /nfs/dbraw/zinc/96/01/88/991960188.db2.gz BOAXEOZOOKJSAZ-SECBINFHSA-N 1 2 247.302 1.404 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCc2cnccn2)o1 ZINC001319742911 991960205 /nfs/dbraw/zinc/96/02/05/991960205.db2.gz BOAXEOZOOKJSAZ-SECBINFHSA-N 1 2 247.302 1.404 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001260732693 992147592 /nfs/dbraw/zinc/14/75/92/992147592.db2.gz NJHMPGBYQOTVDP-OUAUKWLOSA-N 1 2 248.392 1.139 20 0 BDADLO CC[C@@H](C)S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001260732693 992147596 /nfs/dbraw/zinc/14/75/96/992147596.db2.gz NJHMPGBYQOTVDP-OUAUKWLOSA-N 1 2 248.392 1.139 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1nc(C)ccc1O ZINC001568296165 992161949 /nfs/dbraw/zinc/16/19/49/992161949.db2.gz QFXFPSCCTWBMEZ-UHFFFAOYSA-N 1 2 246.270 1.308 20 0 BDADLO Cc1coc(C(=O)N2CCn3c[nH+]cc3C2)c1C ZINC001261210728 992194225 /nfs/dbraw/zinc/19/42/25/992194225.db2.gz XOVCQPBCNJKNBU-UHFFFAOYSA-N 1 2 245.282 1.749 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC001261238654 992208674 /nfs/dbraw/zinc/20/86/74/992208674.db2.gz LTLSLHQXBINYKQ-GFCCVEGCSA-N 1 2 243.347 1.325 20 0 BDADLO Cc1cnccc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320612571 992275308 /nfs/dbraw/zinc/27/53/08/992275308.db2.gz KGUKYXYRGNOAKL-LLVKDONJSA-N 1 2 244.298 1.464 20 0 BDADLO Cc1cnccc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320612579 992275813 /nfs/dbraw/zinc/27/58/13/992275813.db2.gz KGUKYXYRGNOAKL-NSHDSACASA-N 1 2 244.298 1.464 20 0 BDADLO C[C@H](C(=O)N1CCC=C(F)C1)n1cc[nH+]c1 ZINC001320886577 992389049 /nfs/dbraw/zinc/38/90/49/992389049.db2.gz MKSMVSGCCWGDGD-SECBINFHSA-N 1 2 223.251 1.530 20 0 BDADLO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1nc[nH]n1 ZINC001261638059 992429179 /nfs/dbraw/zinc/42/91/79/992429179.db2.gz OQSXZJXSHWVTIV-VHSXEESVSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nc[nH]n1 ZINC001261638059 992429182 /nfs/dbraw/zinc/42/91/82/992429182.db2.gz OQSXZJXSHWVTIV-VHSXEESVSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H]1CCC[C@H](C)[N@H+](Cc2nc[nH]n2)C1 ZINC001261638060 992431888 /nfs/dbraw/zinc/43/18/88/992431888.db2.gz OQSXZJXSHWVTIV-ZJUUUORDSA-N 1 2 208.309 1.815 20 0 BDADLO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nc[nH]n2)C1 ZINC001261638060 992431901 /nfs/dbraw/zinc/43/19/01/992431901.db2.gz OQSXZJXSHWVTIV-ZJUUUORDSA-N 1 2 208.309 1.815 20 0 BDADLO COCC1=CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001321087800 992450255 /nfs/dbraw/zinc/45/02/55/992450255.db2.gz RXEIKPUZFRPRBM-UHFFFAOYSA-N 1 2 249.314 1.147 20 0 BDADLO COCC1=CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001321087800 992450262 /nfs/dbraw/zinc/45/02/62/992450262.db2.gz RXEIKPUZFRPRBM-UHFFFAOYSA-N 1 2 249.314 1.147 20 0 BDADLO Cc1cnn(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC001261748251 992486490 /nfs/dbraw/zinc/48/64/90/992486490.db2.gz IOCYNXQVDWGDOC-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cc1cnn(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC001261748251 992486495 /nfs/dbraw/zinc/48/64/95/992486495.db2.gz IOCYNXQVDWGDOC-UHFFFAOYSA-N 1 2 233.275 1.023 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC(C)(C)C1(C)C ZINC001321204291 992486760 /nfs/dbraw/zinc/48/67/60/992486760.db2.gz IGOPFWXECLEYDK-UHFFFAOYSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]([NH2+]Cc1cncn1C)c1ccn(C)n1 ZINC001261853342 992547518 /nfs/dbraw/zinc/54/75/18/992547518.db2.gz FFGXGYAIPMGYCW-VIFPVBQESA-N 1 2 219.292 1.004 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001261910174 992575245 /nfs/dbraw/zinc/57/52/45/992575245.db2.gz PXSMBDZZMFRRQY-COUIAZAYSA-N 1 2 231.299 1.596 20 0 BDADLO O=C(NC/C=C/C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001261910174 992575254 /nfs/dbraw/zinc/57/52/54/992575254.db2.gz PXSMBDZZMFRRQY-COUIAZAYSA-N 1 2 231.299 1.596 20 0 BDADLO Cc1nnsc1C[NH2+]Cc1cc(C)ncn1 ZINC001262010155 992595775 /nfs/dbraw/zinc/59/57/75/992595775.db2.gz WEKDPFJZPKIIDT-UHFFFAOYSA-N 1 2 235.316 1.235 20 0 BDADLO Cc1cccnc1C[NH2+][C@H](C)C1N=NC(=O)N1C ZINC001262111557 992680397 /nfs/dbraw/zinc/68/03/97/992680397.db2.gz JEPVLXVEUPQJRB-SECBINFHSA-N 1 2 247.302 1.075 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113883 992684896 /nfs/dbraw/zinc/68/48/96/992684896.db2.gz DKJBQXKQUIODSD-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001262113883 992684901 /nfs/dbraw/zinc/68/49/01/992684901.db2.gz DKJBQXKQUIODSD-CMPLNLGQSA-N 1 2 223.320 1.717 20 0 BDADLO CC(C)[N@H+](C)CC[NH2+]C1CC(CC(=O)[O-])C1 ZINC001591556119 992751395 /nfs/dbraw/zinc/75/13/95/992751395.db2.gz UZJZQIXFDHHISC-UHFFFAOYSA-N 1 2 228.336 1.170 20 0 BDADLO CC(C)[N@@H+](C)CC[NH2+]C1CC(CC(=O)[O-])C1 ZINC001591556119 992751399 /nfs/dbraw/zinc/75/13/99/992751399.db2.gz UZJZQIXFDHHISC-UHFFFAOYSA-N 1 2 228.336 1.170 20 0 BDADLO C[C@@H](C(=O)N1CCCC(=O)[C@H]1C)n1cc[nH+]c1 ZINC001262342845 992847768 /nfs/dbraw/zinc/84/77/68/992847768.db2.gz CQHPRZWXFXJXNL-ZJUUUORDSA-N 1 2 235.287 1.024 20 0 BDADLO C[C@@H](C(=O)Nc1ccnn1C1CC1)n1cc[nH+]c1 ZINC001262348366 992851551 /nfs/dbraw/zinc/85/15/51/992851551.db2.gz FWVHRBMIIFAVQX-VIFPVBQESA-N 1 2 245.286 1.614 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)nc[nH+]2)no1 ZINC001262356575 992855337 /nfs/dbraw/zinc/85/53/37/992855337.db2.gz HGGFYQAEDCDGNI-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1cc(CNc2cc(N(C)C)[nH+]cn2)no1 ZINC001262356575 992855339 /nfs/dbraw/zinc/85/53/39/992855339.db2.gz HGGFYQAEDCDGNI-UHFFFAOYSA-N 1 2 233.275 1.451 20 0 BDADLO Cc1[nH]c(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)[nH+]1 ZINC001574417888 992857197 /nfs/dbraw/zinc/85/71/97/992857197.db2.gz XEPAOUXFBYKXCG-RDDDGLTNSA-N 1 2 237.303 1.464 20 0 BDADLO Cc1[nH]c(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)[nH+]1 ZINC001574417888 992857202 /nfs/dbraw/zinc/85/72/02/992857202.db2.gz XEPAOUXFBYKXCG-RDDDGLTNSA-N 1 2 237.303 1.464 20 0 BDADLO C=CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001262555318 992906826 /nfs/dbraw/zinc/90/68/26/992906826.db2.gz NJOPEONWMOMZDN-UHFFFAOYSA-N 1 2 220.272 1.509 20 0 BDADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC001262805273 993069747 /nfs/dbraw/zinc/06/97/47/993069747.db2.gz LGWXPCMKHOONKW-QJPTWQEYSA-N 1 2 248.326 1.872 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)C(F)F ZINC001263246035 993182118 /nfs/dbraw/zinc/18/21/18/993182118.db2.gz DEGNLVYEUQOYPE-RBXMUDONSA-N 1 2 232.274 1.274 20 0 BDADLO [NH3+][C@H](CC(=O)N[C@@H]1C[C@H]2CCC[C@H]21)C(F)F ZINC001263246033 993182967 /nfs/dbraw/zinc/18/29/67/993182967.db2.gz DEGNLVYEUQOYPE-FNCVBFRFSA-N 1 2 232.274 1.274 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(F)c1N ZINC000380199164 993319195 /nfs/dbraw/zinc/31/91/95/993319195.db2.gz BXAMZFHETSDPEP-UHFFFAOYSA-N 1 2 248.261 1.369 20 0 BDADLO COc1ncccc1-c1c[nH+]c(N)c(C)c1 ZINC000380605668 993338513 /nfs/dbraw/zinc/33/85/13/993338513.db2.gz WMGSXTAHLYGKFN-UHFFFAOYSA-N 1 2 215.256 1.873 20 0 BDADLO C[N@H+](Cc1cnn[nH]1)C[C@@]1(C)CCCS1 ZINC001576859634 993439574 /nfs/dbraw/zinc/43/95/74/993439574.db2.gz LTXLMSFCVARTGN-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1cnn[nH]1)C[C@@]1(C)CCCS1 ZINC001576859634 993439581 /nfs/dbraw/zinc/43/95/81/993439581.db2.gz LTXLMSFCVARTGN-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO C[N@H+](Cc1c[nH]nn1)C[C@@]1(C)CCCS1 ZINC001576859634 993439583 /nfs/dbraw/zinc/43/95/83/993439583.db2.gz LTXLMSFCVARTGN-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1c[nH]nn1)C[C@@]1(C)CCCS1 ZINC001576859634 993439593 /nfs/dbraw/zinc/43/95/93/993439593.db2.gz LTXLMSFCVARTGN-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO C[N@H+](Cc1cn[nH]n1)C[C@@]1(C)CCCS1 ZINC001576859634 993439599 /nfs/dbraw/zinc/43/95/99/993439599.db2.gz LTXLMSFCVARTGN-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1cn[nH]n1)C[C@@]1(C)CCCS1 ZINC001576859634 993439605 /nfs/dbraw/zinc/43/96/05/993439605.db2.gz LTXLMSFCVARTGN-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CCNc1cc(CNC(=O)N2CC=CC2)cc[nH+]1 ZINC001263752475 993489630 /nfs/dbraw/zinc/48/96/30/993489630.db2.gz ILFQSBQFPJVLAO-UHFFFAOYSA-N 1 2 246.314 1.595 20 0 BDADLO C[C@H](N(C)C(=O)CCc1[nH+]ccn1C)C1(C)CC1 ZINC001263765638 993497567 /nfs/dbraw/zinc/49/75/67/993497567.db2.gz XTQBQCCSOMFKOL-NSHDSACASA-N 1 2 249.358 2.000 20 0 BDADLO CCCNc1cc(N2CC(O)(C3CC3)C2)nc[nH+]1 ZINC000384060605 993539477 /nfs/dbraw/zinc/53/94/77/993539477.db2.gz PXLSDMHNNMIIRE-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO CCCNc1cc(N2CC(O)(C3CC3)C2)[nH+]cn1 ZINC000384060605 993539486 /nfs/dbraw/zinc/53/94/86/993539486.db2.gz PXLSDMHNNMIIRE-UHFFFAOYSA-N 1 2 248.330 1.260 20 0 BDADLO Cc1nccn1CCNc1ccc2c([nH+]1)CCC2 ZINC000385273403 993656457 /nfs/dbraw/zinc/65/64/57/993656457.db2.gz PQSAEGLKSLCBLQ-UHFFFAOYSA-N 1 2 242.326 1.609 20 0 BDADLO COC1C[NH+](Cc2ccc(C#N)cc2C)C1 ZINC000390507190 993792711 /nfs/dbraw/zinc/79/27/11/993792711.db2.gz XEUFOYMCBFPKOS-UHFFFAOYSA-N 1 2 216.284 1.697 20 0 BDADLO Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000700432933 993835154 /nfs/dbraw/zinc/83/51/54/993835154.db2.gz GAWPYLXIDHPFBW-LLVKDONJSA-N 1 2 221.304 1.050 20 0 BDADLO Cc1cc(C)nc(C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000700432933 993835159 /nfs/dbraw/zinc/83/51/59/993835159.db2.gz GAWPYLXIDHPFBW-LLVKDONJSA-N 1 2 221.304 1.050 20 0 BDADLO O=C(N[C@@H]1CC[N@@H+](CCF)C1)C1(CF)CCC1 ZINC001265304097 993838368 /nfs/dbraw/zinc/83/83/68/993838368.db2.gz VOLAELUPAURFLG-SNVBAGLBSA-N 1 2 246.301 1.286 20 0 BDADLO O=C(N[C@@H]1CC[N@H+](CCF)C1)C1(CF)CCC1 ZINC001265304097 993838372 /nfs/dbraw/zinc/83/83/72/993838372.db2.gz VOLAELUPAURFLG-SNVBAGLBSA-N 1 2 246.301 1.286 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@@H](C)C2)c[nH]1 ZINC000724780581 994077284 /nfs/dbraw/zinc/07/72/84/994077284.db2.gz BMKNRPDVPQAOIJ-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO Cc1ncc(C[N@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000724780581 994077265 /nfs/dbraw/zinc/07/72/65/994077265.db2.gz BMKNRPDVPQAOIJ-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO Cc1ncc(C[N@@H+]2CCOC[C@@H](C)C2)[nH]1 ZINC000724780581 994077271 /nfs/dbraw/zinc/07/72/71/994077271.db2.gz BMKNRPDVPQAOIJ-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@@H](C)C2)c[nH]1 ZINC000724780581 994077278 /nfs/dbraw/zinc/07/72/78/994077278.db2.gz BMKNRPDVPQAOIJ-VIFPVBQESA-N 1 2 209.293 1.186 20 0 BDADLO CC1(C)C[C@H]1CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724712612 994078677 /nfs/dbraw/zinc/07/86/77/994078677.db2.gz OVKUQIWRSBITRF-BQBZGAKWSA-N 1 2 220.263 1.131 20 0 BDADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2CC23CC3)[nH+]1 ZINC001304107997 994096941 /nfs/dbraw/zinc/09/69/41/994096941.db2.gz NFWVWPKWGXTRLQ-JTQLQIEISA-N 1 2 233.315 1.949 20 0 BDADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2CC23CC3)c[nH+]1 ZINC001304107997 994096954 /nfs/dbraw/zinc/09/69/54/994096954.db2.gz NFWVWPKWGXTRLQ-JTQLQIEISA-N 1 2 233.315 1.949 20 0 BDADLO CCC[C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001280399335 994110125 /nfs/dbraw/zinc/11/01/25/994110125.db2.gz LJXNDXXVGVGDQG-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001280399335 994110137 /nfs/dbraw/zinc/11/01/37/994110137.db2.gz LJXNDXXVGVGDQG-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(C(=O)[O-])co1 ZINC001593249745 994480856 /nfs/dbraw/zinc/48/08/56/994480856.db2.gz PDFDULKOKMUXLO-MRVPVSSYSA-N 1 2 238.287 1.510 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ncon1 ZINC001335484202 994787854 /nfs/dbraw/zinc/78/78/54/994787854.db2.gz XGYOIMRQLNOTTR-PWSUYJOCSA-N 1 2 247.298 1.324 20 0 BDADLO CCc1[nH]cc(CNc2nccc(C)n2)[nH+]1 ZINC001307218913 994839845 /nfs/dbraw/zinc/83/98/45/994839845.db2.gz IARQPOGUMXVRQH-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO CCc1[nH]c(CNc2nccc(C)n2)c[nH+]1 ZINC001307218913 994839843 /nfs/dbraw/zinc/83/98/43/994839843.db2.gz IARQPOGUMXVRQH-UHFFFAOYSA-N 1 2 217.276 1.683 20 0 BDADLO CC1(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001297804500 994885968 /nfs/dbraw/zinc/88/59/68/994885968.db2.gz SCBHDPUSUJMRAL-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CC1(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001297804500 994885969 /nfs/dbraw/zinc/88/59/69/994885969.db2.gz SCBHDPUSUJMRAL-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CCC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001298412242 994926761 /nfs/dbraw/zinc/92/67/61/994926761.db2.gz NWQSRYFXFJXGFG-JTQLQIEISA-N 1 2 239.319 1.192 20 0 BDADLO CCSC1(CNC(=O)[C@H]2CC[N@@H+]2CC)CC1 ZINC001301311890 995080729 /nfs/dbraw/zinc/08/07/29/995080729.db2.gz URPSNIDCGWQHIU-SNVBAGLBSA-N 1 2 242.388 1.483 20 0 BDADLO CCSC1(CNC(=O)[C@H]2CC[N@H+]2CC)CC1 ZINC001301311890 995080739 /nfs/dbraw/zinc/08/07/39/995080739.db2.gz URPSNIDCGWQHIU-SNVBAGLBSA-N 1 2 242.388 1.483 20 0 BDADLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)cs1 ZINC001301658627 995098938 /nfs/dbraw/zinc/09/89/38/995098938.db2.gz TUWKJBDGUSUCDY-UHFFFAOYSA-N 1 2 221.285 1.961 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302092490 995111987 /nfs/dbraw/zinc/11/19/87/995111987.db2.gz CEIPYIOEBWADKQ-WPRPVWTQSA-N 1 2 231.299 1.205 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302092484 995112283 /nfs/dbraw/zinc/11/22/83/995112283.db2.gz CEIPYIOEBWADKQ-PSASIEDQSA-N 1 2 231.299 1.205 20 0 BDADLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccsn1 ZINC001302925186 995131363 /nfs/dbraw/zinc/13/13/63/995131363.db2.gz BHDBXVYVDUGHGP-ZETCQYMHSA-N 1 2 211.290 1.176 20 0 BDADLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccsn1 ZINC001302925186 995131371 /nfs/dbraw/zinc/13/13/71/995131371.db2.gz BHDBXVYVDUGHGP-ZETCQYMHSA-N 1 2 211.290 1.176 20 0 BDADLO Cc1oncc1CNC(=O)CCCn1cc[nH+]c1 ZINC001304110946 995188391 /nfs/dbraw/zinc/18/83/91/995188391.db2.gz HLICBCQIJHFKDZ-UHFFFAOYSA-N 1 2 248.286 1.276 20 0 BDADLO Fc1cnc(NCCNc2cccc[nH+]2)cn1 ZINC001306917318 995274223 /nfs/dbraw/zinc/27/42/23/995274223.db2.gz OZBRKUMYOCXAPB-UHFFFAOYSA-N 1 2 233.250 1.535 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](O)(C(F)F)C2)o1 ZINC001307780314 995458565 /nfs/dbraw/zinc/45/85/65/995458565.db2.gz QGABLROMEJDNOG-KWQFWETISA-N 1 2 246.257 1.746 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](O)(C(F)F)C2)o1 ZINC001307780314 995458571 /nfs/dbraw/zinc/45/85/71/995458571.db2.gz QGABLROMEJDNOG-KWQFWETISA-N 1 2 246.257 1.746 20 0 BDADLO C[N@H+](CCOC1CCC1)Cc1ncccn1 ZINC001308036407 995530542 /nfs/dbraw/zinc/53/05/42/995530542.db2.gz OTQQMMXGQIFGOU-UHFFFAOYSA-N 1 2 221.304 1.478 20 0 BDADLO C[N@@H+](CCOC1CCC1)Cc1ncccn1 ZINC001308036407 995530549 /nfs/dbraw/zinc/53/05/49/995530549.db2.gz OTQQMMXGQIFGOU-UHFFFAOYSA-N 1 2 221.304 1.478 20 0 BDADLO c1c(C2CC2)nn2c1C[N@H+](CC1=NOCC1)CC2 ZINC001308129604 995557740 /nfs/dbraw/zinc/55/77/40/995557740.db2.gz BDJVELRMDPZBAR-UHFFFAOYSA-N 1 2 246.314 1.352 20 0 BDADLO c1c(C2CC2)nn2c1C[N@@H+](CC1=NOCC1)CC2 ZINC001308129604 995557751 /nfs/dbraw/zinc/55/77/51/995557751.db2.gz BDJVELRMDPZBAR-UHFFFAOYSA-N 1 2 246.314 1.352 20 0 BDADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1nnnn1C ZINC001308133690 995561627 /nfs/dbraw/zinc/56/16/27/995561627.db2.gz DXZQGVYZPJRFKA-MRVPVSSYSA-N 1 2 235.266 1.200 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cccc(CO)c2)n1 ZINC001308255447 995602632 /nfs/dbraw/zinc/60/26/32/995602632.db2.gz HWPRBOCVTNTVFP-UHFFFAOYSA-N 1 2 246.314 1.080 20 0 BDADLO CC(C)c1noc(C[N@H+](C)[C@H]2CCOC2)n1 ZINC000407947736 136207317 /nfs/dbraw/zinc/20/73/17/136207317.db2.gz DPTUYYINNBJRPX-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO CC(C)c1noc(C[N@@H+](C)[C@H]2CCOC2)n1 ZINC000407947736 136207318 /nfs/dbraw/zinc/20/73/18/136207318.db2.gz DPTUYYINNBJRPX-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)c1cn(C)nn1 ZINC000425597471 192025662 /nfs/dbraw/zinc/02/56/62/192025662.db2.gz SSYGEIWHQFLYSM-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO CCOC(=O)C[N@H+](CCC(C)(C)O)C1CC1 ZINC000092802152 398144471 /nfs/dbraw/zinc/14/44/71/398144471.db2.gz YXHSHOCCFCHVRF-UHFFFAOYSA-N 1 2 229.320 1.175 20 0 BDADLO CCOC(=O)C[N@@H+](CCC(C)(C)O)C1CC1 ZINC000092802152 398144473 /nfs/dbraw/zinc/14/44/73/398144473.db2.gz YXHSHOCCFCHVRF-UHFFFAOYSA-N 1 2 229.320 1.175 20 0 BDADLO CCC(CC)([NH2+]Cc1ccncc1)C(=O)OC ZINC000338373032 168331298 /nfs/dbraw/zinc/33/12/98/168331298.db2.gz GJSOULLBSFVKAE-UHFFFAOYSA-N 1 2 236.315 1.903 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccc(Cl)s2)n1 ZINC000092852008 398144428 /nfs/dbraw/zinc/14/44/28/398144428.db2.gz GJWADDGSWHRUCS-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO Cc1cc(CNC(=O)N2CCCCO2)cc(C)[nH+]1 ZINC000333787052 178012936 /nfs/dbraw/zinc/01/29/36/178012936.db2.gz VPJMHYAKLZZUDD-UHFFFAOYSA-N 1 2 249.314 1.935 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)no1 ZINC000339482511 178027142 /nfs/dbraw/zinc/02/71/42/178027142.db2.gz KGYZEKWYFGXGJY-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)NCC2CC2)nc1 ZINC000649899172 398169659 /nfs/dbraw/zinc/16/96/59/398169659.db2.gz ZJMISGUOTCUCNI-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)NCC2CC2)nc1 ZINC000649899172 398169660 /nfs/dbraw/zinc/16/96/60/398169660.db2.gz ZJMISGUOTCUCNI-UHFFFAOYSA-N 1 2 247.342 1.348 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000649900305 398170616 /nfs/dbraw/zinc/17/06/16/398170616.db2.gz XWLIQJWQKALIMU-VIFPVBQESA-N 1 2 229.230 1.609 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000649900305 398170618 /nfs/dbraw/zinc/17/06/18/398170618.db2.gz XWLIQJWQKALIMU-VIFPVBQESA-N 1 2 229.230 1.609 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)no1 ZINC000352746033 178035040 /nfs/dbraw/zinc/03/50/40/178035040.db2.gz OAPKXIDEDJROPH-TVQRCGJNSA-N 1 2 235.331 1.555 20 0 BDADLO Cc1cc(C[NH2+][C@H](CCO)c2ccco2)no1 ZINC000185104573 178038087 /nfs/dbraw/zinc/03/80/87/178038087.db2.gz IXWRRLMDVJKMGU-LLVKDONJSA-N 1 2 236.271 1.789 20 0 BDADLO CCCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882105 398162224 /nfs/dbraw/zinc/16/22/24/398162224.db2.gz KLNKEQGCBXDZEI-GFCCVEGCSA-N 1 2 223.320 1.594 20 0 BDADLO CCCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649882105 398162229 /nfs/dbraw/zinc/16/22/29/398162229.db2.gz KLNKEQGCBXDZEI-GFCCVEGCSA-N 1 2 223.320 1.594 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@@H+]1CC1=CCCC1 ZINC000649885429 398162913 /nfs/dbraw/zinc/16/29/13/398162913.db2.gz QBXPVPAIACOBKS-AWEZNQCLSA-N 1 2 247.342 1.904 20 0 BDADLO Cn1nccc1[C@@H]1COCC[N@H+]1CC1=CCCC1 ZINC000649885429 398162915 /nfs/dbraw/zinc/16/29/15/398162915.db2.gz QBXPVPAIACOBKS-AWEZNQCLSA-N 1 2 247.342 1.904 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1nccn1C(F)F ZINC000072765970 398186670 /nfs/dbraw/zinc/18/66/70/398186670.db2.gz KBSSWZHSBTZIMJ-UHFFFAOYSA-N 1 2 241.245 1.633 20 0 BDADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCNC1=O ZINC000269316986 178095531 /nfs/dbraw/zinc/09/55/31/178095531.db2.gz ZYHASEFMCHVXIL-GFCCVEGCSA-N 1 2 233.315 1.361 20 0 BDADLO Cc1cc(N(C)C2CCC(CO)CC2)nc[nH+]1 ZINC000301647330 178097380 /nfs/dbraw/zinc/09/73/80/178097380.db2.gz QDGUQCICASMNPG-UHFFFAOYSA-N 1 2 235.331 1.772 20 0 BDADLO Cc1cc(N(C)CCO)nc(-c2ccncc2)[nH+]1 ZINC000112072313 178098554 /nfs/dbraw/zinc/09/85/54/178098554.db2.gz VUGQZUIOVLXCSY-UHFFFAOYSA-N 1 2 244.298 1.276 20 0 BDADLO Cc1cc(N(C)C[C@@H](C)O)nc(C2CC2)[nH+]1 ZINC000116260310 178099124 /nfs/dbraw/zinc/09/91/24/178099124.db2.gz NLUCNRRKQVZITJ-SECBINFHSA-N 1 2 221.304 1.479 20 0 BDADLO Cc1cc(N(C)CCCO)nc(C2CC2)[nH+]1 ZINC000281687278 178099131 /nfs/dbraw/zinc/09/91/31/178099131.db2.gz MUFOFFOCMVGWBA-UHFFFAOYSA-N 1 2 221.304 1.481 20 0 BDADLO CC(=O)c1cc(C[N@@H+](C)CC(C)(C)CO)on1 ZINC000576238034 365534232 /nfs/dbraw/zinc/53/42/32/365534232.db2.gz RCWPUJBFCKFFQQ-UHFFFAOYSA-N 1 2 240.303 1.328 20 0 BDADLO CC(=O)c1cc(C[N@H+](C)CC(C)(C)CO)on1 ZINC000576238034 365534233 /nfs/dbraw/zinc/53/42/33/365534233.db2.gz RCWPUJBFCKFFQQ-UHFFFAOYSA-N 1 2 240.303 1.328 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000334300206 398197667 /nfs/dbraw/zinc/19/76/67/398197667.db2.gz SZKKFSJFDQHGHM-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000334300206 398197672 /nfs/dbraw/zinc/19/76/72/398197672.db2.gz SZKKFSJFDQHGHM-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cc1cc(N)nc(SCCOC(C)C)[nH+]1 ZINC000048397726 178109571 /nfs/dbraw/zinc/10/95/71/178109571.db2.gz HBYAOVVVXQWYQH-UHFFFAOYSA-N 1 2 227.333 1.884 20 0 BDADLO Cc1cc(NC(=O)NCC[C@H](C)O)cc[nH+]1 ZINC000271179959 178138550 /nfs/dbraw/zinc/13/85/50/178138550.db2.gz ZWAGCWFALALHCI-VIFPVBQESA-N 1 2 223.276 1.282 20 0 BDADLO Cc1cc(N2CC[C@]3(CCOC3)C2)nc[nH+]1 ZINC000301611466 178118862 /nfs/dbraw/zinc/11/88/62/178118862.db2.gz RKAWDXSYJBREQV-LBPRGKRZSA-N 1 2 219.288 1.402 20 0 BDADLO Cc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000366168305 178120843 /nfs/dbraw/zinc/12/08/43/178120843.db2.gz FDTDAFNUCHTXTM-GDNZZTSVSA-N 1 2 245.326 1.337 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000572863392 398202764 /nfs/dbraw/zinc/20/27/64/398202764.db2.gz FCITWBRDRYMHHJ-RYUDHWBXSA-N 1 2 249.358 1.857 20 0 BDADLO Cc1cc(NC(=O)N(C)Cc2[nH+]ccn2C)no1 ZINC000124114513 178135323 /nfs/dbraw/zinc/13/53/23/178135323.db2.gz UCKSDDWXOYCYJX-UHFFFAOYSA-N 1 2 249.274 1.380 20 0 BDADLO Cc1cc(NC(=O)N2CCC(=O)[C@@H](C)C2)cc[nH+]1 ZINC000281058212 178135776 /nfs/dbraw/zinc/13/57/76/178135776.db2.gz YGWILCWYPGGATA-VIFPVBQESA-N 1 2 247.298 1.833 20 0 BDADLO Cc1cc(NC(=O)N(C)CC[C@H](C)O)cc[nH+]1 ZINC000271179760 178136620 /nfs/dbraw/zinc/13/66/20/178136620.db2.gz ZQWPJLHYXLZLSF-JTQLQIEISA-N 1 2 237.303 1.625 20 0 BDADLO Cc1cc(NC(=O)NC(C)(C)[C@H](C)O)cc[nH+]1 ZINC000271100933 178136783 /nfs/dbraw/zinc/13/67/83/178136783.db2.gz YEIPVQBWRKNDQY-VIFPVBQESA-N 1 2 237.303 1.671 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@@H]([C@H](C)O)C2)cc[nH+]1 ZINC000183959821 178137816 /nfs/dbraw/zinc/13/78/16/178137816.db2.gz VHJJXZSCVUETEW-WDEREUQCSA-N 1 2 249.314 1.625 20 0 BDADLO Cc1cc(NC(=O)N2CCC[C@@H]2CO)cc[nH+]1 ZINC000270993513 178138081 /nfs/dbraw/zinc/13/80/81/178138081.db2.gz DUEZAXMHKMLUPU-LLVKDONJSA-N 1 2 235.287 1.379 20 0 BDADLO Cc1cc(NC(=O)N[C@@H](C)c2nc[nH]n2)cc[nH+]1 ZINC000180725219 178140438 /nfs/dbraw/zinc/14/04/38/178140438.db2.gz DYVUKRNYDAWVBJ-QMMMGPOBSA-N 1 2 246.274 1.391 20 0 BDADLO Cc1cc(NC(=O)NCc2[nH+]ccn2C)no1 ZINC000264047363 178140703 /nfs/dbraw/zinc/14/07/03/178140703.db2.gz GUKXNSBNCIAKMY-UHFFFAOYSA-N 1 2 235.247 1.038 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2C[C@H]2C)cc[nH+]1 ZINC000119387379 178141904 /nfs/dbraw/zinc/14/19/04/178141904.db2.gz QROCSWQVEOTMOU-GMSGAONNSA-N 1 2 205.261 1.920 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCCO2)cc[nH+]1 ZINC000074932053 178145102 /nfs/dbraw/zinc/14/51/02/178145102.db2.gz JNZUAHSCHLLVKS-JTQLQIEISA-N 1 2 206.245 1.508 20 0 BDADLO Cc1cc(NC(=O)[C@H](C)N2CCOCC2)cc[nH+]1 ZINC000169819743 178147059 /nfs/dbraw/zinc/14/70/59/178147059.db2.gz CJHCVIOQJRGOAS-NSHDSACASA-N 1 2 249.314 1.049 20 0 BDADLO Cc1cc(NC(=O)[C@H]2CC2(F)F)cc[nH+]1 ZINC000295010596 178147499 /nfs/dbraw/zinc/14/74/99/178147499.db2.gz XJDIFJPGJZNCPD-MRVPVSSYSA-N 1 2 212.199 1.984 20 0 BDADLO Cc1nn(C)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000113184731 178151572 /nfs/dbraw/zinc/15/15/72/178151572.db2.gz PUPKSMRXIJWHPP-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO C[N@H+](Cc1cncnc1)Cc1ccccn1 ZINC000273440107 538927608 /nfs/dbraw/zinc/92/76/08/538927608.db2.gz WJTPTAAHSAZKAY-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO C[N@@H+](Cc1cncnc1)Cc1ccccn1 ZINC000273440107 538927610 /nfs/dbraw/zinc/92/76/10/538927610.db2.gz WJTPTAAHSAZKAY-UHFFFAOYSA-N 1 2 214.272 1.504 20 0 BDADLO Cc1cc(NCCOC[C@H]2CCCO2)nc[nH+]1 ZINC000301296692 178161170 /nfs/dbraw/zinc/16/11/70/178161170.db2.gz PJHOPMDJHLAXIG-LLVKDONJSA-N 1 2 237.303 1.393 20 0 BDADLO Cc1nn(C)c(C)c1CCNc1cc(C)[nH+]cn1 ZINC000301238479 178163577 /nfs/dbraw/zinc/16/35/77/178163577.db2.gz LJPFQHHOHXFMTG-UHFFFAOYSA-N 1 2 245.330 1.790 20 0 BDADLO Cc1cc(N[C@H]2CCCOCC2)nc[nH+]1 ZINC000308822072 178188359 /nfs/dbraw/zinc/18/83/59/178188359.db2.gz GVSOKWSJVPNDRM-JTQLQIEISA-N 1 2 207.277 1.766 20 0 BDADLO Cc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000075665181 398226112 /nfs/dbraw/zinc/22/61/12/398226112.db2.gz HWNLRKCRWKWERJ-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cc(C)cc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000075665181 398226115 /nfs/dbraw/zinc/22/61/15/398226115.db2.gz HWNLRKCRWKWERJ-LBPRGKRZSA-N 1 2 232.327 1.624 20 0 BDADLO Cc1cc(NC[C@@H]2CCCOC2)nc[nH+]1 ZINC000040727368 178167285 /nfs/dbraw/zinc/16/72/85/178167285.db2.gz RKFZILJKJWIQAK-JTQLQIEISA-N 1 2 207.277 1.624 20 0 BDADLO Cc1cc(NC[C@H](C)O)nc(-c2cccnc2)[nH+]1 ZINC000120201525 178169269 /nfs/dbraw/zinc/16/92/69/178169269.db2.gz BKSXXPKTCCVDEZ-JTQLQIEISA-N 1 2 244.298 1.640 20 0 BDADLO Cc1cc(NCc2ccccn2)nc[nH+]1 ZINC000040727091 178172976 /nfs/dbraw/zinc/17/29/76/178172976.db2.gz ASBKRHFWIBMTLI-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1cc(N[C@@H](C)c2nncn2C)nc[nH+]1 ZINC000050419836 178179845 /nfs/dbraw/zinc/17/98/45/178179845.db2.gz ABTQHKCODYDIML-QMMMGPOBSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1cc(N[C@@H](C)c2ncn(C)n2)nc[nH+]1 ZINC000309805269 178180334 /nfs/dbraw/zinc/18/03/34/178180334.db2.gz SALRKEAULGMZDT-QMMMGPOBSA-N 1 2 218.264 1.087 20 0 BDADLO Cc1cc(N[C@@H]2CC(=O)N(C)C2)nc(C2CC2)[nH+]1 ZINC000265373247 178180799 /nfs/dbraw/zinc/18/07/99/178180799.db2.gz OYQNQFHKDAKUHL-SNVBAGLBSA-N 1 2 246.314 1.305 20 0 BDADLO Cc1cc(N[C@@H]2CCC(=O)NC2)nc(C2CC2)[nH+]1 ZINC000265326710 178181370 /nfs/dbraw/zinc/18/13/70/178181370.db2.gz FVILCJYODVSVNR-SNVBAGLBSA-N 1 2 246.314 1.353 20 0 BDADLO Cc1cc(N[C@H](C)CO)nc(C2CC2)[nH+]1 ZINC000265353660 178185525 /nfs/dbraw/zinc/18/55/25/178185525.db2.gz KSLNIJDBCGNBFN-MRVPVSSYSA-N 1 2 207.277 1.455 20 0 BDADLO Cc1cc(N[C@H](C)CCO)nc(C2CC2)[nH+]1 ZINC000150868164 178186056 /nfs/dbraw/zinc/18/60/56/178186056.db2.gz PSDNZDABCZGZBR-MRVPVSSYSA-N 1 2 221.304 1.845 20 0 BDADLO Cc1cc(N[C@H]2CCCCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000301970500 178188325 /nfs/dbraw/zinc/18/83/25/178188325.db2.gz RKRRCHDJRYDDIE-QWRGUYRKSA-N 1 2 248.330 1.631 20 0 BDADLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCSCC2)n1 ZINC000177918230 178202251 /nfs/dbraw/zinc/20/22/51/178202251.db2.gz DPHDWBQJNRXSJB-VIFPVBQESA-N 1 2 239.344 1.600 20 0 BDADLO CCO[C@H](C(=O)Nc1cc[nH+]cc1CC)C1CC1 ZINC000625607569 398228690 /nfs/dbraw/zinc/22/86/90/398228690.db2.gz RUZHWUGRDQSJIL-ZDUSSCGKSA-N 1 2 248.326 1.820 20 0 BDADLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@]12CCOC2 ZINC000421404340 192331130 /nfs/dbraw/zinc/33/11/30/192331130.db2.gz PIAKFGSMRDTRFX-LLVKDONJSA-N 1 2 241.722 1.438 20 0 BDADLO Cn1ncc(Cl)c1C[N@H+]1CC[C@]12CCOC2 ZINC000421404340 192331132 /nfs/dbraw/zinc/33/11/32/192331132.db2.gz PIAKFGSMRDTRFX-LLVKDONJSA-N 1 2 241.722 1.438 20 0 BDADLO C[C@@H]1CC[N@H+](CCc2ccnn2C)CC1(F)F ZINC000334233181 136224289 /nfs/dbraw/zinc/22/42/89/136224289.db2.gz NXVJNDXJZXBYRW-SNVBAGLBSA-N 1 2 243.301 1.940 20 0 BDADLO C[C@@H]1CC[N@@H+](CCc2ccnn2C)CC1(F)F ZINC000334233181 136224290 /nfs/dbraw/zinc/22/42/90/136224290.db2.gz NXVJNDXJZXBYRW-SNVBAGLBSA-N 1 2 243.301 1.940 20 0 BDADLO Cc1cc([C@@H](C)[NH2+]CC(=O)NCC(F)F)no1 ZINC000282428560 178221810 /nfs/dbraw/zinc/22/18/10/178221810.db2.gz CZUKBUBFNQRSQJ-SSDOTTSWSA-N 1 2 247.245 1.015 20 0 BDADLO CC(C)n1nccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000276675052 538933078 /nfs/dbraw/zinc/93/30/78/538933078.db2.gz VKDIJDSLRFJOAH-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO CC(C)n1nccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000276675052 538933080 /nfs/dbraw/zinc/93/30/80/538933080.db2.gz VKDIJDSLRFJOAH-UHFFFAOYSA-N 1 2 247.302 1.758 20 0 BDADLO C[C@H](CC(=O)N1CCOC[C@@H]1C)n1cc[nH+]c1 ZINC000650064658 398230347 /nfs/dbraw/zinc/23/03/47/398230347.db2.gz KDZZTAUYLHYZTJ-MNOVXSKESA-N 1 2 237.303 1.082 20 0 BDADLO COCc1cnc(C[N@@H+]2CC[C@](C)(O)C2)s1 ZINC000342922566 136224971 /nfs/dbraw/zinc/22/49/71/136224971.db2.gz WQUYFQDLOGETCR-NSHDSACASA-N 1 2 242.344 1.246 20 0 BDADLO COCc1cnc(C[N@H+]2CC[C@](C)(O)C2)s1 ZINC000342922566 136224972 /nfs/dbraw/zinc/22/49/72/136224972.db2.gz WQUYFQDLOGETCR-NSHDSACASA-N 1 2 242.344 1.246 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NCCC1CC1 ZINC000280113147 538936754 /nfs/dbraw/zinc/93/67/54/538936754.db2.gz LJTXAXLLYHMCPO-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NCCC1CC1 ZINC000280113147 538936755 /nfs/dbraw/zinc/93/67/55/538936755.db2.gz LJTXAXLLYHMCPO-UHFFFAOYSA-N 1 2 207.277 1.259 20 0 BDADLO C[C@H]1CSCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280202666 538937231 /nfs/dbraw/zinc/93/72/31/538937231.db2.gz QRHDRBLMOXWONL-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO C[C@H]1CSCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280202666 538937232 /nfs/dbraw/zinc/93/72/32/538937232.db2.gz QRHDRBLMOXWONL-VIFPVBQESA-N 1 2 239.344 1.306 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ns1 ZINC000602437455 349524515 /nfs/dbraw/zinc/52/45/15/349524515.db2.gz YFHCOWMKWYUVGJ-SNVBAGLBSA-N 1 2 240.328 1.589 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)ns1 ZINC000602437455 349524517 /nfs/dbraw/zinc/52/45/17/349524517.db2.gz YFHCOWMKWYUVGJ-SNVBAGLBSA-N 1 2 240.328 1.589 20 0 BDADLO Cc1ncc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000280629220 538937518 /nfs/dbraw/zinc/93/75/18/538937518.db2.gz XENFXUAUUPQASN-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO Cc1ncc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000280629220 538937520 /nfs/dbraw/zinc/93/75/20/538937520.db2.gz XENFXUAUUPQASN-UHFFFAOYSA-N 1 2 231.259 1.079 20 0 BDADLO CCc1cc(N(CC)[C@H]2CCNC2=O)nc(C)[nH+]1 ZINC000281616597 538939238 /nfs/dbraw/zinc/93/92/38/538939238.db2.gz JRMHFNFZPHUORM-NSHDSACASA-N 1 2 248.330 1.062 20 0 BDADLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000093157607 398241779 /nfs/dbraw/zinc/24/17/79/398241779.db2.gz YAVSEEQXSLVEEA-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ncccc1C ZINC000093157607 398241781 /nfs/dbraw/zinc/24/17/81/398241781.db2.gz YAVSEEQXSLVEEA-CYBMUJFWSA-N 1 2 248.326 1.918 20 0 BDADLO O[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1F ZINC000380025414 398243775 /nfs/dbraw/zinc/24/37/75/398243775.db2.gz YGRFOPDRRYDFSY-GZMMTYOYSA-N 1 2 210.252 1.216 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343829948 365628777 /nfs/dbraw/zinc/62/87/77/365628777.db2.gz RCDPZTGNTOLSRY-TUAOUCFPSA-N 1 2 247.342 1.845 20 0 BDADLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ncc[nH]1 ZINC000286206927 538943376 /nfs/dbraw/zinc/94/33/76/538943376.db2.gz RPPWNXRRUSWYJV-CABZTGNLSA-N 1 2 249.289 1.933 20 0 BDADLO CC1(C)CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000576613480 365639149 /nfs/dbraw/zinc/63/91/49/365639149.db2.gz IRQLTWSNWVLFFS-LLVKDONJSA-N 1 2 235.331 1.826 20 0 BDADLO CC(C)c1cc(NCCc2cn(C)c[nH+]2)ncn1 ZINC000313441281 398246576 /nfs/dbraw/zinc/24/65/76/398246576.db2.gz GYLQLADIKMNPBT-UHFFFAOYSA-N 1 2 245.330 1.988 20 0 BDADLO CC[C@H](C)CCC(=O)NCc1c[nH+]cn1C ZINC000291403529 538947562 /nfs/dbraw/zinc/94/75/62/538947562.db2.gz IUYJOAMUQBCUEO-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO Cc1cnccc1NC(=O)NCc1c[nH+]cn1C ZINC000290535500 538946885 /nfs/dbraw/zinc/94/68/85/538946885.db2.gz XNFYDWPMDOPPQK-UHFFFAOYSA-N 1 2 245.286 1.445 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1C=CCCC1 ZINC000291528325 538947936 /nfs/dbraw/zinc/94/79/36/538947936.db2.gz VTSUOZDVVUYLDC-LLVKDONJSA-N 1 2 233.315 1.783 20 0 BDADLO Cc1cc(C(=O)NCc2c[nH+]cn2C)ns1 ZINC000291464342 538948113 /nfs/dbraw/zinc/94/81/13/538948113.db2.gz ONFTVUFNLMIUAT-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO C[C@@H]1CCC[C@@H]1CC(=O)NCc1c[nH+]cn1C ZINC000291484376 538948201 /nfs/dbraw/zinc/94/82/01/538948201.db2.gz QNVMFRCDSFULNU-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000636726910 349552046 /nfs/dbraw/zinc/55/20/46/349552046.db2.gz RSBGHLKHNJZTGL-GWCFXTLKSA-N 1 2 248.330 1.552 20 0 BDADLO Cc1ccc(Cn2nnc(C3CC3)n2)c(C)[nH+]1 ZINC000185343740 398264474 /nfs/dbraw/zinc/26/44/74/398264474.db2.gz IPBVIGJQBBNPDW-UHFFFAOYSA-N 1 2 229.287 1.611 20 0 BDADLO COC[C@@]1(C)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000381489953 398259818 /nfs/dbraw/zinc/25/98/18/398259818.db2.gz PWPYTOLHTLAKSM-ZDUSSCGKSA-N 1 2 236.315 1.437 20 0 BDADLO CCc1cc(N[C@@H](CC)[C@@H](C)O)nc[nH+]1 ZINC000386668265 398265593 /nfs/dbraw/zinc/26/55/93/398265593.db2.gz FWPGHLHABVAEQT-SCZZXKLOSA-N 1 2 209.293 1.610 20 0 BDADLO C[C@H]1C[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178363947 538953008 /nfs/dbraw/zinc/95/30/08/538953008.db2.gz CXQPKOVWPLSCTG-GXSJLCMTSA-N 1 2 229.283 1.607 20 0 BDADLO CC[C@@H](NC(=O)c1cc(C)n[nH]1)c1[nH]cc[nH+]1 ZINC000442820597 398269367 /nfs/dbraw/zinc/26/93/67/398269367.db2.gz KTUVVKBATLGONH-MRVPVSSYSA-N 1 2 233.275 1.322 20 0 BDADLO c1nc([C@H]2CCCC[N@H+]2C[C@@H]2CCOC2)n[nH]1 ZINC000097055789 398269539 /nfs/dbraw/zinc/26/95/39/398269539.db2.gz GTQDDTVZLDUAHM-WDEREUQCSA-N 1 2 236.319 1.368 20 0 BDADLO c1nc([C@H]2CCCC[N@@H+]2C[C@@H]2CCOC2)n[nH]1 ZINC000097055789 398269542 /nfs/dbraw/zinc/26/95/42/398269542.db2.gz GTQDDTVZLDUAHM-WDEREUQCSA-N 1 2 236.319 1.368 20 0 BDADLO CCC(CC)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330963220 168375402 /nfs/dbraw/zinc/37/54/02/168375402.db2.gz BRQCTHNPFDDOEC-UHFFFAOYSA-N 1 2 223.320 1.992 20 0 BDADLO COC[C@]1(C)C[N@H+](Cc2cncs2)CCO1 ZINC000626177486 346834971 /nfs/dbraw/zinc/83/49/71/346834971.db2.gz OYLRNBSHJPVIRT-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO COC[C@]1(C)C[N@@H+](Cc2cncs2)CCO1 ZINC000626177486 346834975 /nfs/dbraw/zinc/83/49/75/346834975.db2.gz OYLRNBSHJPVIRT-NSHDSACASA-N 1 2 242.344 1.380 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC)[C@@H](C)CC ZINC000183587436 346852978 /nfs/dbraw/zinc/85/29/78/346852978.db2.gz ADZXQAJDFJXGOW-AXFHLTTASA-N 1 2 231.336 1.325 20 0 BDADLO Cc1[nH]c(CN(C)[C@@H](C)C[S@@](C)=O)[nH+]c1C ZINC000600145944 342690059 /nfs/dbraw/zinc/69/00/59/342690059.db2.gz SHPKHGODTZRBTQ-ZKANADHPSA-N 1 2 243.376 1.225 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)C(=O)OC(C)C)[nH+]c1C ZINC000600168176 342693854 /nfs/dbraw/zinc/69/38/54/342693854.db2.gz GGTNWXWNQAIZQS-JTQLQIEISA-N 1 2 239.319 1.456 20 0 BDADLO COC1(C)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000340889472 536567059 /nfs/dbraw/zinc/56/70/59/536567059.db2.gz FZZCZMVVXCPXOO-UHFFFAOYSA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000074234155 344002036 /nfs/dbraw/zinc/00/20/36/344002036.db2.gz PQQHUKAYRUKSCS-WDEREUQCSA-N 1 2 221.304 1.530 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@@H]1CCOC1 ZINC000583332596 342735498 /nfs/dbraw/zinc/73/54/98/342735498.db2.gz MQARUSLOQUFKSB-LLVKDONJSA-N 1 2 221.304 1.354 20 0 BDADLO Cc1nc(C[NH2+]C[C@@H](O)CC2CCCC2)no1 ZINC000231803060 342739748 /nfs/dbraw/zinc/73/97/48/342739748.db2.gz SJZFZEPGVHVLGJ-NSHDSACASA-N 1 2 239.319 1.409 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccco1 ZINC000054859195 398284144 /nfs/dbraw/zinc/28/41/44/398284144.db2.gz RRFUSEAMIWBLMG-MRVPVSSYSA-N 1 2 206.249 1.259 20 0 BDADLO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nnn(C)n1 ZINC000583970687 342785451 /nfs/dbraw/zinc/78/54/51/342785451.db2.gz QUCPJADAQMETNN-RNCFNFMXSA-N 1 2 243.314 1.233 20 0 BDADLO CC1(O)C[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000639254164 398285595 /nfs/dbraw/zinc/28/55/95/398285595.db2.gz MCRNXVDRHSBIHV-UHFFFAOYSA-N 1 2 249.310 1.415 20 0 BDADLO CCOC1(C)C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000639254209 398285904 /nfs/dbraw/zinc/28/59/04/398285904.db2.gz OFICCPBCCYPKLK-UHFFFAOYSA-N 1 2 222.288 1.398 20 0 BDADLO Cc1nc2ccccn2c1C[NH+]1CC(C)(O)C1 ZINC000639254172 398285920 /nfs/dbraw/zinc/28/59/20/398285920.db2.gz MKECWYDTNSQBHF-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO Cc1[nH+]c2ccccn2c1CN1CC(C)(O)C1 ZINC000639254172 398285923 /nfs/dbraw/zinc/28/59/23/398285923.db2.gz MKECWYDTNSQBHF-UHFFFAOYSA-N 1 2 231.299 1.209 20 0 BDADLO O=C1NCC[C@H]1[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000634581055 342796402 /nfs/dbraw/zinc/79/64/02/342796402.db2.gz PFSDJFOWRWRHDW-GHMZBOCLSA-N 1 2 240.253 1.314 20 0 BDADLO FCC[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000624651326 342809316 /nfs/dbraw/zinc/80/93/16/342809316.db2.gz YUZOAFQXSAYIBK-SNVBAGLBSA-N 1 2 210.252 1.646 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1C[C@@H](O)C1 ZINC000624667345 342814221 /nfs/dbraw/zinc/81/42/21/342814221.db2.gz MMRIMACZEXZCQJ-DTORHVGOSA-N 1 2 208.261 1.273 20 0 BDADLO CCc1cc(NCCCn2cc[nH+]c2)ncn1 ZINC000040765074 538972876 /nfs/dbraw/zinc/97/28/76/538972876.db2.gz XFRJUDOAGKTHID-UHFFFAOYSA-N 1 2 231.303 1.738 20 0 BDADLO c1[nH+]c2n(c1-c1cncnc1)CCCC2 ZINC000630052434 361920737 /nfs/dbraw/zinc/92/07/37/361920737.db2.gz UZYYDSCUPUCZQZ-UHFFFAOYSA-N 1 2 200.245 1.676 20 0 BDADLO CCC(CC)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298095339 168393694 /nfs/dbraw/zinc/39/36/94/168393694.db2.gz ACZGLCRSCCOKLF-VIFPVBQESA-N 1 2 238.335 1.870 20 0 BDADLO CCC(CC)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298095339 168393695 /nfs/dbraw/zinc/39/36/95/168393695.db2.gz ACZGLCRSCCOKLF-VIFPVBQESA-N 1 2 238.335 1.870 20 0 BDADLO C[C@@H](CO)Nc1ccc(-c2[nH+]ccn2C)cn1 ZINC000630053326 361923658 /nfs/dbraw/zinc/92/36/58/361923658.db2.gz SIUGCBCGRAWEJE-VIFPVBQESA-N 1 2 232.287 1.275 20 0 BDADLO Cc1nc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc[nH+]1 ZINC000624745255 342824065 /nfs/dbraw/zinc/82/40/65/342824065.db2.gz JBENGKHTQOXQQY-HOSYDEDBSA-N 1 2 219.288 1.135 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1ncnn1C ZINC000187050418 538975421 /nfs/dbraw/zinc/97/54/21/538975421.db2.gz KFTLWAORECEBPO-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cncs1 ZINC000335464437 398289496 /nfs/dbraw/zinc/28/94/96/398289496.db2.gz CDPKLEDKUXNKSW-PSLIRLAXSA-N 1 2 244.385 1.486 20 0 BDADLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cncs1 ZINC000335464437 398289498 /nfs/dbraw/zinc/28/94/98/398289498.db2.gz CDPKLEDKUXNKSW-PSLIRLAXSA-N 1 2 244.385 1.486 20 0 BDADLO CO[C@H]1C[C@@H](CNc2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000624755060 342825131 /nfs/dbraw/zinc/82/51/31/342825131.db2.gz NWCCEKVJMLILRQ-AOOOYVTPSA-N 1 2 246.314 1.525 20 0 BDADLO Cc1cc(C[NH2+]Cc2ccco2)ncn1 ZINC000380171688 538987027 /nfs/dbraw/zinc/98/70/27/538987027.db2.gz HOBFANKEOZIEGM-UHFFFAOYSA-N 1 2 203.245 1.668 20 0 BDADLO O=C1[C@H](Nc2cccc[nH+]2)CCN1C1CCC1 ZINC000624779595 342828510 /nfs/dbraw/zinc/82/85/10/342828510.db2.gz QWGSLXNNVMYDEJ-LLVKDONJSA-N 1 2 231.299 1.647 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000380271579 538987971 /nfs/dbraw/zinc/98/79/71/538987971.db2.gz WIHOAGZXQCFWFI-VIFPVBQESA-N 1 2 215.247 1.996 20 0 BDADLO Cc1cscc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000151231628 323013882 /nfs/dbraw/zinc/01/38/82/323013882.db2.gz OBKLFBIWDQEIBN-SNVBAGLBSA-N 1 2 240.328 1.326 20 0 BDADLO Cc1cscc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000151231628 323013883 /nfs/dbraw/zinc/01/38/83/323013883.db2.gz OBKLFBIWDQEIBN-SNVBAGLBSA-N 1 2 240.328 1.326 20 0 BDADLO O[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000335479584 398291071 /nfs/dbraw/zinc/29/10/71/398291071.db2.gz WAVXRNUMCAAXQY-LLVKDONJSA-N 1 2 232.258 1.945 20 0 BDADLO [NH3+][C@H](C(=O)N1CCCCCC1)c1cscn1 ZINC000335623305 136240349 /nfs/dbraw/zinc/24/03/49/136240349.db2.gz ZBGAKUHAIBGZNI-JTQLQIEISA-N 1 2 239.344 1.546 20 0 BDADLO CCc1ncc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000189526669 538983647 /nfs/dbraw/zinc/98/36/47/538983647.db2.gz YISANBZNVGXINE-UHFFFAOYSA-N 1 2 245.286 1.333 20 0 BDADLO CCc1ncc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000189526669 538983648 /nfs/dbraw/zinc/98/36/48/538983648.db2.gz YISANBZNVGXINE-UHFFFAOYSA-N 1 2 245.286 1.333 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ncccn1 ZINC000192031525 538993908 /nfs/dbraw/zinc/99/39/08/538993908.db2.gz ROFDYDHLWMHJHW-ZJUUUORDSA-N 1 2 223.345 1.802 20 0 BDADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ncccn1 ZINC000192031525 538993909 /nfs/dbraw/zinc/99/39/09/538993909.db2.gz ROFDYDHLWMHJHW-ZJUUUORDSA-N 1 2 223.345 1.802 20 0 BDADLO C/C=C\CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000624829458 342833357 /nfs/dbraw/zinc/83/33/57/342833357.db2.gz YWJVIRMJBVYTHW-BYCRGOAPSA-N 1 2 248.330 1.495 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCSC[C@@H]1C ZINC000193354738 539005214 /nfs/dbraw/zinc/00/52/14/539005214.db2.gz NBJDZYYQJXRSNY-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO CCn1ncnc1C[N@H+]1CCSC[C@@H]1C ZINC000193354738 539005216 /nfs/dbraw/zinc/00/52/16/539005216.db2.gz NBJDZYYQJXRSNY-VIFPVBQESA-N 1 2 226.349 1.235 20 0 BDADLO OCC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000602604890 349627359 /nfs/dbraw/zinc/62/73/59/349627359.db2.gz FDBNODLFPXKMCP-LLVKDONJSA-N 1 2 247.342 1.953 20 0 BDADLO OCC1([NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000381849449 539007710 /nfs/dbraw/zinc/00/77/10/539007710.db2.gz SCWKLFVBJPGEJZ-UHFFFAOYSA-N 1 2 217.272 1.177 20 0 BDADLO Cc1c(C(=O)NCCc2[nH]cc[nH+]2)ccn1C ZINC000195254040 539010048 /nfs/dbraw/zinc/01/00/48/539010048.db2.gz RVEBLDKHCZZLMI-UHFFFAOYSA-N 1 2 232.287 1.029 20 0 BDADLO C[NH+]1CCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000195308140 539010428 /nfs/dbraw/zinc/01/04/28/539010428.db2.gz NJSIRBIDJJJRBZ-UHFFFAOYSA-N 1 2 249.314 1.330 20 0 BDADLO CO[C@@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068245055 342835458 /nfs/dbraw/zinc/83/54/58/342835458.db2.gz KMXXCNXYYLMZLP-NSHDSACASA-N 1 2 248.326 1.153 20 0 BDADLO CC[C@]1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493547747 529400868 /nfs/dbraw/zinc/40/08/68/529400868.db2.gz FNYGDSSHHCXHPY-MUBLQREKSA-N 1 2 249.314 1.450 20 0 BDADLO O=C(c1cn(Cc2[nH]cc[nH+]2)nn1)C1CCC1 ZINC000640755357 361993340 /nfs/dbraw/zinc/99/33/40/361993340.db2.gz WZHAIWMXPSKKJF-UHFFFAOYSA-N 1 2 231.259 1.032 20 0 BDADLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](C)C1)CC2 ZINC000625038543 342844803 /nfs/dbraw/zinc/84/48/03/342844803.db2.gz AYDYIOJBNVHHQV-JQWIXIFHSA-N 1 2 247.342 1.622 20 0 BDADLO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134569000 342868786 /nfs/dbraw/zinc/86/87/86/342868786.db2.gz OLGLXOFTJQSZGG-JVUFJMBOSA-N 1 2 243.376 1.481 20 0 BDADLO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134571099 342868934 /nfs/dbraw/zinc/86/89/34/342868934.db2.gz OTAKXEAOHXRLDP-WCBMZHEXSA-N 1 2 243.376 1.483 20 0 BDADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccn2)CCCO1 ZINC000639473240 398316175 /nfs/dbraw/zinc/31/61/75/398316175.db2.gz WXXSZUYPQZRAIZ-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccn2)CCCO1 ZINC000639473240 398316177 /nfs/dbraw/zinc/31/61/77/398316177.db2.gz WXXSZUYPQZRAIZ-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO CCn1ccnc1[C@@H](C)Nc1nc(C)[nH+]cc1C ZINC000584004168 342900064 /nfs/dbraw/zinc/90/00/64/342900064.db2.gz CAPQTFMSKGKJRW-SNVBAGLBSA-N 1 2 245.330 1.905 20 0 BDADLO CO[C@](C)(C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627372794 398319972 /nfs/dbraw/zinc/31/99/72/398319972.db2.gz XCRHWQOCNQBAGX-ZDUSSCGKSA-N 1 2 249.314 1.110 20 0 BDADLO CO[C@](C)(C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627372794 398319973 /nfs/dbraw/zinc/31/99/73/398319973.db2.gz XCRHWQOCNQBAGX-ZDUSSCGKSA-N 1 2 249.314 1.110 20 0 BDADLO COCC(C)(C)[NH2+]Cc1noc(C2CCC2)n1 ZINC000625134766 342885951 /nfs/dbraw/zinc/88/59/51/342885951.db2.gz YDKOMAYFPAWKID-UHFFFAOYSA-N 1 2 239.319 1.852 20 0 BDADLO CCn1cnnc1CCNc1cc[nH+]c(C)n1 ZINC000078267397 342909953 /nfs/dbraw/zinc/90/99/53/342909953.db2.gz WEFXLZHGCNHWTH-UHFFFAOYSA-N 1 2 232.291 1.051 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000625177948 342902048 /nfs/dbraw/zinc/90/20/48/342902048.db2.gz BRQSILUHQDNRLJ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625177948 342902050 /nfs/dbraw/zinc/90/20/50/342902050.db2.gz BRQSILUHQDNRLJ-NSHDSACASA-N 1 2 242.363 1.260 20 0 BDADLO COc1cncc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000625177867 342902074 /nfs/dbraw/zinc/90/20/74/342902074.db2.gz ACUUXHIYCPRHGS-VIFPVBQESA-N 1 2 239.344 1.423 20 0 BDADLO COc1cncc(C[N@H+]2CCSC[C@@H]2C)n1 ZINC000625177867 342902076 /nfs/dbraw/zinc/90/20/76/342902076.db2.gz ACUUXHIYCPRHGS-VIFPVBQESA-N 1 2 239.344 1.423 20 0 BDADLO COc1cncc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000625177866 342902160 /nfs/dbraw/zinc/90/21/60/342902160.db2.gz ACUUXHIYCPRHGS-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO COc1cncc(C[N@H+]2CCSC[C@H]2C)n1 ZINC000625177866 342902161 /nfs/dbraw/zinc/90/21/61/342902161.db2.gz ACUUXHIYCPRHGS-SECBINFHSA-N 1 2 239.344 1.423 20 0 BDADLO CC[C@@H]1CO[C@@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493584872 529412095 /nfs/dbraw/zinc/41/20/95/529412095.db2.gz HLBQBFHVDAZZEI-HDTYDHQFSA-N 1 2 249.314 1.449 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C)c2cnn(C)c2C)[nH]1 ZINC000352847141 398324492 /nfs/dbraw/zinc/32/44/92/398324492.db2.gz WPZSZHVEGDXMRW-SSDOTTSWSA-N 1 2 234.307 1.006 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000105785765 398324985 /nfs/dbraw/zinc/32/49/85/398324985.db2.gz ZBXMWKAKFCMAAQ-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO C[C@@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000105785765 398324988 /nfs/dbraw/zinc/32/49/88/398324988.db2.gz ZBXMWKAKFCMAAQ-SNVBAGLBSA-N 1 2 236.319 1.260 20 0 BDADLO CC[C@@H]1CO[C@H](C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493103402 529414123 /nfs/dbraw/zinc/41/41/23/529414123.db2.gz HCRRJZDHZDPMSI-XKFHPXPTSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@]1(CNc2nc[nH+]c(N)c2Cl)CCOC1 ZINC000309240609 342920406 /nfs/dbraw/zinc/92/04/06/342920406.db2.gz APKSGVPORDEEFO-SNVBAGLBSA-N 1 2 242.710 1.551 20 0 BDADLO C[C@]1(CNc2[nH+]cnc(N)c2Cl)CCOC1 ZINC000309240609 342920407 /nfs/dbraw/zinc/92/04/07/342920407.db2.gz APKSGVPORDEEFO-SNVBAGLBSA-N 1 2 242.710 1.551 20 0 BDADLO Cc1nc(N[C@@H]2COCC2(C)C)cc[nH+]1 ZINC000313055890 259330075 /nfs/dbraw/zinc/33/00/75/259330075.db2.gz JBCZKBSDLXXVBD-SECBINFHSA-N 1 2 207.277 1.622 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493328764 529468728 /nfs/dbraw/zinc/46/87/28/529468728.db2.gz CZAWHUDTXKHQKV-CJOPTALJSA-N 1 2 235.287 1.107 20 0 BDADLO Cc1nc(NCC(C)(C)C(C)C)nc(N)[nH+]1 ZINC000304452488 398336504 /nfs/dbraw/zinc/33/65/04/398336504.db2.gz KKDUZJDFXROJJB-UHFFFAOYSA-N 1 2 223.324 1.856 20 0 BDADLO Cc1nc(N)nc(NCC(C)(C)C(C)C)[nH+]1 ZINC000304452488 398336505 /nfs/dbraw/zinc/33/65/05/398336505.db2.gz KKDUZJDFXROJJB-UHFFFAOYSA-N 1 2 223.324 1.856 20 0 BDADLO COC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000353609801 398337924 /nfs/dbraw/zinc/33/79/24/398337924.db2.gz PJYQPOMHOHOTEN-RYUDHWBXSA-N 1 2 239.315 1.217 20 0 BDADLO COC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CC=CCC1 ZINC000353609801 398337925 /nfs/dbraw/zinc/33/79/25/398337925.db2.gz PJYQPOMHOHOTEN-RYUDHWBXSA-N 1 2 239.315 1.217 20 0 BDADLO Cc1cc(NCCc2cn[nH]c2)nc(C(C)C)[nH+]1 ZINC000357628907 398339124 /nfs/dbraw/zinc/33/91/24/398339124.db2.gz NPTJSZFKTPOSQX-UHFFFAOYSA-N 1 2 245.330 1.708 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H](F)C2)[nH]c1C ZINC000602677589 349671022 /nfs/dbraw/zinc/67/10/22/349671022.db2.gz YZIWPSOMUJADCH-SECBINFHSA-N 1 2 240.278 1.654 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@@H](F)C2)[nH]c1C ZINC000602677589 349671023 /nfs/dbraw/zinc/67/10/23/349671023.db2.gz YZIWPSOMUJADCH-SECBINFHSA-N 1 2 240.278 1.654 20 0 BDADLO COC(=O)c1cc(C[NH+]2CC(C(F)F)C2)on1 ZINC000602687806 349678533 /nfs/dbraw/zinc/67/85/33/349678533.db2.gz CRUHJINLZPXQQE-UHFFFAOYSA-N 1 2 246.213 1.158 20 0 BDADLO CCC1(C)C[NH+](Cc2cc(C(=O)OC)no2)C1 ZINC000602689177 349679354 /nfs/dbraw/zinc/67/93/54/349679354.db2.gz SUGYYCWDFHDQDQ-UHFFFAOYSA-N 1 2 238.287 1.693 20 0 BDADLO CCCN(CCC)C(=O)NCc1c[nH+]cn1C ZINC000291802695 398344360 /nfs/dbraw/zinc/34/43/60/398344360.db2.gz HJMPTVNCLURFFK-UHFFFAOYSA-N 1 2 238.335 1.752 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](OC)C1CC1 ZINC000602692557 349689629 /nfs/dbraw/zinc/68/96/29/349689629.db2.gz AVWHVDKJCLAOTR-NWDGAFQWSA-N 1 2 241.331 1.343 20 0 BDADLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000602695827 349692341 /nfs/dbraw/zinc/69/23/41/349692341.db2.gz NLAGJVXFMLOYBA-LSJOCFKGSA-N 1 2 243.372 1.812 20 0 BDADLO COc1cc(C)nc(N2CCn3c[nH+]cc3C2)n1 ZINC000368178376 536699825 /nfs/dbraw/zinc/69/98/25/536699825.db2.gz SJHJZPCHNPAPPC-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO CCc1cc(NC(=O)/C=C/c2[nH]cc[nH+]2)n(C)n1 ZINC000493273540 529537730 /nfs/dbraw/zinc/53/77/30/529537730.db2.gz XYIYUPQLLODMDR-SNAWJCMRSA-N 1 2 245.286 1.358 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000019885338 342961521 /nfs/dbraw/zinc/96/15/21/342961521.db2.gz GGEBRSXPLRWCKE-NSHDSACASA-N 1 2 207.273 1.900 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CCF ZINC000492941117 529557304 /nfs/dbraw/zinc/55/73/04/529557304.db2.gz NYKKCGXADHTPNT-PLNGDYQASA-N 1 2 225.267 1.344 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@@H](OC)C1 ZINC000234986475 342968028 /nfs/dbraw/zinc/96/80/28/342968028.db2.gz ZZRQTRDRFRWMEM-JGVFFNPUSA-N 1 2 238.291 1.047 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@@H](OC)C1 ZINC000234986475 342968031 /nfs/dbraw/zinc/96/80/31/342968031.db2.gz ZZRQTRDRFRWMEM-JGVFFNPUSA-N 1 2 238.291 1.047 20 0 BDADLO CC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(C)(C)O ZINC000493400982 529572939 /nfs/dbraw/zinc/57/29/39/529572939.db2.gz KHTBWMDFKTZYTM-SSJHQANKSA-N 1 2 237.303 1.089 20 0 BDADLO COC(=O)c1oc(C[NH2+]C2(C)COC2)cc1C ZINC000602742394 349709889 /nfs/dbraw/zinc/70/98/89/349709889.db2.gz YJYUPUULVGTEEM-UHFFFAOYSA-N 1 2 239.271 1.253 20 0 BDADLO Cc1cccc(Cn2[nH]c3c(c2=O)C[NH2+]CC3)c1 ZINC000634604365 342998763 /nfs/dbraw/zinc/99/87/63/342998763.db2.gz DBVVFZIGZLUUPM-GFCCVEGCSA-N 1 2 243.310 1.303 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCN(C#N)CC ZINC000602762074 349733344 /nfs/dbraw/zinc/73/33/44/349733344.db2.gz GPRRAHIUHRZFAN-RYUDHWBXSA-N 1 2 225.336 1.289 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CCN(C#N)CC ZINC000602762074 349733347 /nfs/dbraw/zinc/73/33/47/349733347.db2.gz GPRRAHIUHRZFAN-RYUDHWBXSA-N 1 2 225.336 1.289 20 0 BDADLO COCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000046067684 343016138 /nfs/dbraw/zinc/01/61/38/343016138.db2.gz VJPJBTOFNJTBKH-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO COCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000046067684 343016139 /nfs/dbraw/zinc/01/61/39/343016139.db2.gz VJPJBTOFNJTBKH-UHFFFAOYSA-N 1 2 246.314 1.346 20 0 BDADLO CC1=CC[N@H+](CC(=O)Nc2ccncc2)CC1 ZINC000335903917 136260340 /nfs/dbraw/zinc/26/03/40/136260340.db2.gz HAPYCMSHKRHLHQ-UHFFFAOYSA-N 1 2 231.299 1.094 20 0 BDADLO CC1=CC[N@@H+](CC(=O)Nc2ccncc2)CC1 ZINC000335903917 136260341 /nfs/dbraw/zinc/26/03/41/136260341.db2.gz HAPYCMSHKRHLHQ-UHFFFAOYSA-N 1 2 231.299 1.094 20 0 BDADLO CC1=C[C@@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000335904217 136260493 /nfs/dbraw/zinc/26/04/93/136260493.db2.gz HGEBWFMFUZIVBO-SNVBAGLBSA-N 1 2 233.315 1.767 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1ccc(C)cn1 ZINC000602837749 349777595 /nfs/dbraw/zinc/77/75/95/349777595.db2.gz ZSWPQYSFROMVIB-UHFFFAOYSA-N 1 2 232.331 1.625 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1ccc(C)cn1 ZINC000602837749 349777597 /nfs/dbraw/zinc/77/75/97/349777597.db2.gz ZSWPQYSFROMVIB-UHFFFAOYSA-N 1 2 232.331 1.625 20 0 BDADLO C[C@H](n1[nH]c2c(c1=O)C[NH2+]CC2)C(C)(C)C ZINC000634629898 343038471 /nfs/dbraw/zinc/03/84/71/343038471.db2.gz GWQRFPGUHKSYAR-IUCAKERBSA-N 1 2 223.320 1.229 20 0 BDADLO O=C1[C@H]2CCCC2=NN1CCCn1cc[nH+]c1 ZINC000634633934 343046526 /nfs/dbraw/zinc/04/65/26/343046526.db2.gz JRAKKAWOEGNQQB-JTQLQIEISA-N 1 2 232.287 1.272 20 0 BDADLO CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H]1C ZINC000634634505 343047237 /nfs/dbraw/zinc/04/72/37/343047237.db2.gz ZZCCOLOYTNDBQD-VIFPVBQESA-N 1 2 220.276 1.127 20 0 BDADLO Cc1[nH]n(CCCn2cc[nH+]c2)c(=O)c1C ZINC000634634505 343047240 /nfs/dbraw/zinc/04/72/40/343047240.db2.gz ZZCCOLOYTNDBQD-VIFPVBQESA-N 1 2 220.276 1.127 20 0 BDADLO CC[C@H](C)CN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492892616 529648002 /nfs/dbraw/zinc/64/80/02/529648002.db2.gz FKLWKUVOFWTWQU-OMMCCPJFSA-N 1 2 221.304 1.927 20 0 BDADLO COC(=O)c1cccc2c1C[N@H+](CC(C)=O)CC2 ZINC000602852027 349786514 /nfs/dbraw/zinc/78/65/14/349786514.db2.gz NFUMQTOUJJYYOT-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO COC(=O)c1cccc2c1C[N@@H+](CC(C)=O)CC2 ZINC000602852027 349786516 /nfs/dbraw/zinc/78/65/16/349786516.db2.gz NFUMQTOUJJYYOT-UHFFFAOYSA-N 1 2 247.294 1.420 20 0 BDADLO C[C@@H](CC(=O)N(C)CC(F)(F)F)n1cc[nH+]c1 ZINC000576826394 365696425 /nfs/dbraw/zinc/69/64/25/365696425.db2.gz JYHLKCPGVXEDNL-QMMMGPOBSA-N 1 2 249.236 1.855 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnc(C)nc2)s1 ZINC000309855886 343066814 /nfs/dbraw/zinc/06/68/14/343066814.db2.gz KKUFEPMKCKHAGC-UHFFFAOYSA-N 1 2 234.328 1.840 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@H]1CCO[C@H]1C ZINC000634547523 362038058 /nfs/dbraw/zinc/03/80/58/362038058.db2.gz SRXWBTFXBRVFJV-DTWKUNHWSA-N 1 2 247.302 1.293 20 0 BDADLO O=C([O-])[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000049328772 343103620 /nfs/dbraw/zinc/10/36/20/343103620.db2.gz MFPCRDATZXEJJU-NSHDSACASA-N 1 2 237.303 1.212 20 0 BDADLO O=C([O-])[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000049328772 343103621 /nfs/dbraw/zinc/10/36/21/343103621.db2.gz MFPCRDATZXEJJU-NSHDSACASA-N 1 2 237.303 1.212 20 0 BDADLO CC[C@@H](NC(=O)NCc1[nH]cc[nH+]1)C(F)F ZINC000640811869 362058042 /nfs/dbraw/zinc/05/80/42/362058042.db2.gz XMXUXJMGZRYZPO-ZCFIWIBFSA-N 1 2 232.234 1.253 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)C(F)F ZINC000640996309 362105372 /nfs/dbraw/zinc/10/53/72/362105372.db2.gz BEBLPBLSTZUECE-ZCFIWIBFSA-N 1 2 232.234 1.205 20 0 BDADLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)C(F)F ZINC000640996309 362105375 /nfs/dbraw/zinc/10/53/75/362105375.db2.gz BEBLPBLSTZUECE-ZCFIWIBFSA-N 1 2 232.234 1.205 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)N[C@@H](C)C(F)F ZINC000640999596 362111915 /nfs/dbraw/zinc/11/19/15/362111915.db2.gz HGNOZVSIAJQEHW-ZETCQYMHSA-N 1 2 246.261 1.356 20 0 BDADLO CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000039338891 343123989 /nfs/dbraw/zinc/12/39/89/343123989.db2.gz RRODTPMBZSDNTG-UHFFFAOYSA-N 1 2 201.229 1.831 20 0 BDADLO Cc1cc(N[C@H](C)CC[S@@](C)=O)nc[nH+]1 ZINC000130259674 343180947 /nfs/dbraw/zinc/18/09/47/343180947.db2.gz JZRPWWNRHWOGPO-GLEZIHRCSA-N 1 2 227.333 1.354 20 0 BDADLO CCC(CC)CNc1nc[nH+]c(N)c1OC ZINC000130563205 343181307 /nfs/dbraw/zinc/18/13/07/343181307.db2.gz KBFUAHFYLAPRGU-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO CCC(CC)CNc1[nH+]cnc(N)c1OC ZINC000130563205 343181309 /nfs/dbraw/zinc/18/13/09/343181309.db2.gz KBFUAHFYLAPRGU-UHFFFAOYSA-N 1 2 224.308 1.916 20 0 BDADLO CO[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC1 ZINC000421580546 192356631 /nfs/dbraw/zinc/35/66/31/192356631.db2.gz WRPJNOYGHJKGRI-CYBMUJFWSA-N 1 2 248.326 1.740 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCSC1)n1cc[nH+]c1 ZINC000576947038 365729788 /nfs/dbraw/zinc/72/97/88/365729788.db2.gz HFWZIKHRRYYHRR-UWVGGRQHSA-N 1 2 239.344 1.456 20 0 BDADLO CCc1ccc(C[N@H+](CC)CC(=O)N(C)C)o1 ZINC000678139460 488205226 /nfs/dbraw/zinc/20/52/26/488205226.db2.gz SARTXUUSZUQAPW-UHFFFAOYSA-N 1 2 238.331 1.752 20 0 BDADLO CCc1ccc(C[N@@H+](CC)CC(=O)N(C)C)o1 ZINC000678139460 488205228 /nfs/dbraw/zinc/20/52/28/488205228.db2.gz SARTXUUSZUQAPW-UHFFFAOYSA-N 1 2 238.331 1.752 20 0 BDADLO C[N@@H+](CCC[NH3+])Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123313177 343161987 /nfs/dbraw/zinc/16/19/87/343161987.db2.gz FEWSVANWSSGWEL-UHFFFAOYSA-N 1 2 244.342 1.653 20 0 BDADLO C[C@@H]([NH2+]Cc1cscn1)c1cn[nH]c1 ZINC000229883577 136273792 /nfs/dbraw/zinc/27/37/92/136273792.db2.gz QOJNLGIWTYXLEK-SSDOTTSWSA-N 1 2 208.290 1.717 20 0 BDADLO C[C@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@H](C(=O)[O-])C1 ZINC000129353615 343176523 /nfs/dbraw/zinc/17/65/23/343176523.db2.gz AHIVYCNUTCVVCZ-ONGXEEELSA-N 1 2 237.303 1.105 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@H](C(=O)[O-])C1 ZINC000129353615 343176524 /nfs/dbraw/zinc/17/65/24/343176524.db2.gz AHIVYCNUTCVVCZ-ONGXEEELSA-N 1 2 237.303 1.105 20 0 BDADLO COc1c(N)[nH+]cnc1N(C)CC(C)C ZINC000134820577 343195682 /nfs/dbraw/zinc/19/56/82/343195682.db2.gz JBDXLUICGAYJOF-UHFFFAOYSA-N 1 2 210.281 1.160 20 0 BDADLO COc1c(N)nc[nH+]c1N(C)CC(C)C ZINC000134820577 343195684 /nfs/dbraw/zinc/19/56/84/343195684.db2.gz JBDXLUICGAYJOF-UHFFFAOYSA-N 1 2 210.281 1.160 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000163390164 343206773 /nfs/dbraw/zinc/20/67/73/343206773.db2.gz SJRLHVMDJCUNKX-BDAKNGLRSA-N 1 2 229.320 1.077 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000625278529 343218451 /nfs/dbraw/zinc/21/84/51/343218451.db2.gz XIFQBCDIPAHDFE-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@@H]2C2CC2)n1 ZINC000625278529 343218454 /nfs/dbraw/zinc/21/84/54/343218454.db2.gz XIFQBCDIPAHDFE-GFCCVEGCSA-N 1 2 249.314 1.096 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@]2(C)CC2(F)F)c[nH+]1 ZINC000618606726 343220508 /nfs/dbraw/zinc/22/05/08/343220508.db2.gz QOENXHFKKTZLJJ-SECBINFHSA-N 1 2 229.230 1.493 20 0 BDADLO COc1c(N)[nH+]cnc1NCCC(C)C ZINC000134814485 343195267 /nfs/dbraw/zinc/19/52/67/343195267.db2.gz GYIRNCZMACEWOU-UHFFFAOYSA-N 1 2 210.281 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NCCC(C)C ZINC000134814485 343195269 /nfs/dbraw/zinc/19/52/69/343195269.db2.gz GYIRNCZMACEWOU-UHFFFAOYSA-N 1 2 210.281 1.525 20 0 BDADLO COc1cncc(C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000625319280 343233811 /nfs/dbraw/zinc/23/38/11/343233811.db2.gz RSSNGCZLRFRSHF-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO COc1cncc(C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000625319280 343233813 /nfs/dbraw/zinc/23/38/13/343233813.db2.gz RSSNGCZLRFRSHF-UHFFFAOYSA-N 1 2 249.314 1.098 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCCOCC1 ZINC000082777127 136277200 /nfs/dbraw/zinc/27/72/00/136277200.db2.gz VKPUYFRQENDPEX-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCCOCC1 ZINC000082777127 136277201 /nfs/dbraw/zinc/27/72/01/136277201.db2.gz VKPUYFRQENDPEX-JTQLQIEISA-N 1 2 229.320 1.439 20 0 BDADLO FCCCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641048389 362159161 /nfs/dbraw/zinc/15/91/61/362159161.db2.gz JSEFLCRZECVFEO-LLVKDONJSA-N 1 2 242.298 1.079 20 0 BDADLO CC[C@@H](SC)C(=O)NCCc1c[nH+]cn1C ZINC000121518654 343267494 /nfs/dbraw/zinc/26/74/94/343267494.db2.gz UQVOGLPJYBAXSX-SNVBAGLBSA-N 1 2 241.360 1.220 20 0 BDADLO C[N@H+](CCO)Cc1cn(CCC(C)(C)C)nn1 ZINC000641043295 362153634 /nfs/dbraw/zinc/15/36/34/362153634.db2.gz OVXYYDWBALCCPY-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO C[N@@H+](CCO)Cc1cn(CCC(C)(C)C)nn1 ZINC000641043295 362153639 /nfs/dbraw/zinc/15/36/39/362153639.db2.gz OVXYYDWBALCCPY-UHFFFAOYSA-N 1 2 240.351 1.138 20 0 BDADLO COC(C)(C)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000641054525 362166353 /nfs/dbraw/zinc/16/63/53/362166353.db2.gz ANNNFTCWQOKGNC-UHFFFAOYSA-N 1 2 249.318 1.446 20 0 BDADLO C[C@H]([NH2+]c1ccc(OCC(N)=O)cc1)C1CC1 ZINC000037041343 343331639 /nfs/dbraw/zinc/33/16/39/343331639.db2.gz ZOVWJOLXSLGFCM-VIFPVBQESA-N 1 2 234.299 1.761 20 0 BDADLO Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000348756165 136297825 /nfs/dbraw/zinc/29/78/25/136297825.db2.gz MNURTQLQIDZOKE-ZDUSSCGKSA-N 1 2 236.363 1.395 20 0 BDADLO Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000348756165 136297826 /nfs/dbraw/zinc/29/78/26/136297826.db2.gz MNURTQLQIDZOKE-ZDUSSCGKSA-N 1 2 236.363 1.395 20 0 BDADLO Cn1cnnc1C[NH2+]Cc1cccc(Cl)c1 ZINC000037988946 343364588 /nfs/dbraw/zinc/36/45/88/343364588.db2.gz OKUMXNUROHYQIA-UHFFFAOYSA-N 1 2 236.706 1.758 20 0 BDADLO C[C@@H]([NH2+]Cc1nncn1C)c1cccc(F)c1 ZINC000038007614 343364962 /nfs/dbraw/zinc/36/49/62/343364962.db2.gz RRQDFIATRVVDDH-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](F)C1 ZINC000569858892 323043341 /nfs/dbraw/zinc/04/33/41/323043341.db2.gz KDJVEZMAGQXEAV-SNVBAGLBSA-N 1 2 239.294 1.313 20 0 BDADLO Cc1cc(NC(=O)N[C@]2(C)CCO[C@@H]2C)cc[nH+]1 ZINC000335672783 136317080 /nfs/dbraw/zinc/31/70/80/136317080.db2.gz RMKZOMFTKMJJFC-ZWNOBZJWSA-N 1 2 249.314 1.501 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1c(C)cnn1C ZINC000335673095 136317145 /nfs/dbraw/zinc/31/71/45/136317145.db2.gz SFBWWHPXWDOQSQ-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1c(C)cnn1C ZINC000335673095 136317146 /nfs/dbraw/zinc/31/71/46/136317146.db2.gz SFBWWHPXWDOQSQ-NSHDSACASA-N 1 2 223.320 1.339 20 0 BDADLO NC(=O)c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335665907 136310886 /nfs/dbraw/zinc/31/08/86/136310886.db2.gz QYELSNAYILOYID-BETUJISGSA-N 1 2 246.310 1.933 20 0 BDADLO NC(=O)c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335665907 136310887 /nfs/dbraw/zinc/31/08/87/136310887.db2.gz QYELSNAYILOYID-BETUJISGSA-N 1 2 246.310 1.933 20 0 BDADLO CCOC(=O)CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609260272 343396214 /nfs/dbraw/zinc/39/62/14/343396214.db2.gz PWVMUKGMNUXTGH-LLVKDONJSA-N 1 2 237.303 1.083 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000631138781 343417106 /nfs/dbraw/zinc/41/71/06/343417106.db2.gz ACNTUXUTPBOMSC-HBNTYKKESA-N 1 2 234.299 1.564 20 0 BDADLO CC[C@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000047576592 343417834 /nfs/dbraw/zinc/41/78/34/343417834.db2.gz OOGSPTCJSPPPGC-JTQLQIEISA-N 1 2 246.314 1.932 20 0 BDADLO Cc1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000349365404 136343364 /nfs/dbraw/zinc/34/33/64/136343364.db2.gz HRMSWWBFWHJYDE-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cn1 ZINC000349365404 136343365 /nfs/dbraw/zinc/34/33/65/136343365.db2.gz HRMSWWBFWHJYDE-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ncccc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000349411760 136345081 /nfs/dbraw/zinc/34/50/81/136345081.db2.gz ARSUHKFJOSKIJM-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO Cc1ncccc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000349411760 136345082 /nfs/dbraw/zinc/34/50/82/136345082.db2.gz ARSUHKFJOSKIJM-JTQLQIEISA-N 1 2 248.248 1.745 20 0 BDADLO CCn1ccnc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092698 136345275 /nfs/dbraw/zinc/34/52/75/136345275.db2.gz PRGLKRIAPGJIDF-NWDGAFQWSA-N 1 2 235.331 1.514 20 0 BDADLO CCn1ccnc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092698 136345276 /nfs/dbraw/zinc/34/52/76/136345276.db2.gz PRGLKRIAPGJIDF-NWDGAFQWSA-N 1 2 235.331 1.514 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000349417612 136345305 /nfs/dbraw/zinc/34/53/05/136345305.db2.gz MDZOEBRYUQIOSA-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccn(C(F)F)n2)C[C@H]1O ZINC000349417612 136345306 /nfs/dbraw/zinc/34/53/06/136345306.db2.gz MDZOEBRYUQIOSA-PSASIEDQSA-N 1 2 245.273 1.481 20 0 BDADLO C[C@@H]1C[C@@H]1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641083480 362203659 /nfs/dbraw/zinc/20/36/59/362203659.db2.gz VQXWJLUJKKQEDC-NXEZZACHSA-N 1 2 217.276 1.179 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000349422889 136345728 /nfs/dbraw/zinc/34/57/28/136345728.db2.gz WCZCMKREHVIMJJ-QMMMGPOBSA-N 1 2 237.225 1.073 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000349422889 136345729 /nfs/dbraw/zinc/34/57/29/136345729.db2.gz WCZCMKREHVIMJJ-QMMMGPOBSA-N 1 2 237.225 1.073 20 0 BDADLO Cc1cc(NC(=O)N[C@H]2CC[C@H]2C)cc[nH+]1 ZINC000335732709 136349264 /nfs/dbraw/zinc/34/92/64/136349264.db2.gz QGWLKHOLCJNNSS-KCJUWKMLSA-N 1 2 219.288 1.732 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCc2occc2C1 ZINC000335829165 136352913 /nfs/dbraw/zinc/35/29/13/136352913.db2.gz IFZGOYGDHTYINC-UHFFFAOYSA-N 1 2 245.282 1.451 20 0 BDADLO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349193597 136331134 /nfs/dbraw/zinc/33/11/34/136331134.db2.gz BDVJCRIGUZBDIJ-UWVGGRQHSA-N 1 2 239.319 1.630 20 0 BDADLO Fc1cccc2c1OCC[N@@H+]([C@H]1CCOC1)C2 ZINC000335705673 136335771 /nfs/dbraw/zinc/33/57/71/136335771.db2.gz RGPMKIGUPIOMKT-NSHDSACASA-N 1 2 237.274 1.809 20 0 BDADLO Fc1cccc2c1OCC[N@H+]([C@H]1CCOC1)C2 ZINC000335705673 136335772 /nfs/dbraw/zinc/33/57/72/136335772.db2.gz RGPMKIGUPIOMKT-NSHDSACASA-N 1 2 237.274 1.809 20 0 BDADLO C[C@@H](Cn1cccn1)[NH2+]CC(=O)OC(C)(C)C ZINC000042269760 343432745 /nfs/dbraw/zinc/43/27/45/343432745.db2.gz JKQYHFCFOAFQFP-JTQLQIEISA-N 1 2 239.319 1.203 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccc2)CC[S@]1=O ZINC000335710461 136337555 /nfs/dbraw/zinc/33/75/55/136337555.db2.gz LTUGXGNMRSXJRE-XHDPSFHLSA-N 1 2 223.341 1.639 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[S@]1=O ZINC000335710461 136337556 /nfs/dbraw/zinc/33/75/56/136337556.db2.gz LTUGXGNMRSXJRE-XHDPSFHLSA-N 1 2 223.341 1.639 20 0 BDADLO COCC[N@H+](C)Cc1cn(C[C@@H]2C[C@H]2C)nn1 ZINC000641081913 362198832 /nfs/dbraw/zinc/19/88/32/362198832.db2.gz NOGZWMPTGPXACZ-MNOVXSKESA-N 1 2 238.335 1.012 20 0 BDADLO COCC[N@@H+](C)Cc1cn(C[C@@H]2C[C@H]2C)nn1 ZINC000641081913 362198835 /nfs/dbraw/zinc/19/88/35/362198835.db2.gz NOGZWMPTGPXACZ-MNOVXSKESA-N 1 2 238.335 1.012 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCOC[C@H](C)C1 ZINC000335850647 136355282 /nfs/dbraw/zinc/35/52/82/136355282.db2.gz UDOOXPKCBLSJBD-SNVBAGLBSA-N 1 2 249.314 1.312 20 0 BDADLO CC(C)C[C@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000641095680 362221179 /nfs/dbraw/zinc/22/11/79/362221179.db2.gz VRBFWNIVBQYARF-NSHDSACASA-N 1 2 240.351 1.309 20 0 BDADLO CC(C)C[C@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000641095680 362221185 /nfs/dbraw/zinc/22/11/85/362221185.db2.gz VRBFWNIVBQYARF-NSHDSACASA-N 1 2 240.351 1.309 20 0 BDADLO CCOC(C)(C)C[NH2+][C@@H]1CCSC1 ZINC000166940229 136368072 /nfs/dbraw/zinc/36/80/72/136368072.db2.gz FNXAKRJUTXEAQJ-SECBINFHSA-N 1 2 203.351 1.897 20 0 BDADLO COC(C)(C)c1cn(CCn2cc[nH+]c2)nn1 ZINC000641123480 362231350 /nfs/dbraw/zinc/23/13/50/362231350.db2.gz MLDZIXYSOZXQGH-UHFFFAOYSA-N 1 2 235.291 1.056 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@H](O)CSC ZINC000187802224 259361751 /nfs/dbraw/zinc/36/17/51/259361751.db2.gz DGDMFYDBGDYYCK-QMMMGPOBSA-N 1 2 227.320 1.687 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@H](O)CSC ZINC000187802224 259361753 /nfs/dbraw/zinc/36/17/53/259361753.db2.gz DGDMFYDBGDYYCK-QMMMGPOBSA-N 1 2 227.320 1.687 20 0 BDADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000616490319 343474025 /nfs/dbraw/zinc/47/40/25/343474025.db2.gz RRJIBOZLXHBJQW-JTQLQIEISA-N 1 2 235.331 1.702 20 0 BDADLO CCc1nnc(C[NH+]2CCC(SC)CC2)o1 ZINC000602920058 349810439 /nfs/dbraw/zinc/81/04/39/349810439.db2.gz QSQKGHLQIQQPBS-UHFFFAOYSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1noc(C[NH+]2CCC(SC)CC2)n1 ZINC000602920619 349810147 /nfs/dbraw/zinc/81/01/47/349810147.db2.gz XCNMYGCHGPMYGX-UHFFFAOYSA-N 1 2 241.360 1.959 20 0 BDADLO COCC(C)(C)[NH2+]Cc1nnsc1Cl ZINC000379532511 343571876 /nfs/dbraw/zinc/57/18/76/343571876.db2.gz JPKNLYSCNPYXII-UHFFFAOYSA-N 1 2 235.740 1.706 20 0 BDADLO Cc1nc(CSCC[NH+]2CCOCC2)co1 ZINC000577020414 365770813 /nfs/dbraw/zinc/77/08/13/365770813.db2.gz KRTYPCDOCCVWOH-UHFFFAOYSA-N 1 2 242.344 1.548 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccco1 ZINC000047575479 343563604 /nfs/dbraw/zinc/56/36/04/343563604.db2.gz PWOQSKAJFPUZFK-JTQLQIEISA-N 1 2 248.286 1.364 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)NC(C)C)cn2c1 ZINC000048843952 343588781 /nfs/dbraw/zinc/58/87/81/343588781.db2.gz PBWLIRIMXARCJB-UHFFFAOYSA-N 1 2 246.314 1.850 20 0 BDADLO COC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC000083400332 343595299 /nfs/dbraw/zinc/59/52/99/343595299.db2.gz RDNKXHUUWYKIEM-SNVBAGLBSA-N 1 2 209.293 1.868 20 0 BDADLO COC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC000083400331 343595513 /nfs/dbraw/zinc/59/55/13/343595513.db2.gz RDNKXHUUWYKIEM-JTQLQIEISA-N 1 2 209.293 1.868 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@H](n3cccn3)C2)[nH]c1C ZINC000628290343 346948202 /nfs/dbraw/zinc/94/82/02/346948202.db2.gz ZSYOTIDGGUBDJF-LBPRGKRZSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@H](n3cccn3)C2)[nH]c1C ZINC000628290343 346948205 /nfs/dbraw/zinc/94/82/05/346948205.db2.gz ZSYOTIDGGUBDJF-LBPRGKRZSA-N 1 2 245.330 1.670 20 0 BDADLO Cc1[nH]c(CN2CC[C@H](n3cccn3)C2)[nH+]c1C ZINC000628290343 346948208 /nfs/dbraw/zinc/94/82/08/346948208.db2.gz ZSYOTIDGGUBDJF-LBPRGKRZSA-N 1 2 245.330 1.670 20 0 BDADLO CCCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000049429078 343598586 /nfs/dbraw/zinc/59/85/86/343598586.db2.gz UMQYRWSBVJEFJZ-UHFFFAOYSA-N 1 2 244.298 1.684 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000602905590 349818622 /nfs/dbraw/zinc/81/86/22/349818622.db2.gz GYHYXEAVSSDDSG-CYBMUJFWSA-N 1 2 241.331 1.772 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000602905590 349818624 /nfs/dbraw/zinc/81/86/24/349818624.db2.gz GYHYXEAVSSDDSG-CYBMUJFWSA-N 1 2 241.331 1.772 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cccc(F)c1 ZINC000622745779 343605249 /nfs/dbraw/zinc/60/52/49/343605249.db2.gz WMODCQGAOMXTSD-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cccc(F)c1 ZINC000622745779 343605250 /nfs/dbraw/zinc/60/52/50/343605250.db2.gz WMODCQGAOMXTSD-UHFFFAOYSA-N 1 2 233.246 1.821 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1cnc(N)s1 ZINC000086766100 343628766 /nfs/dbraw/zinc/62/87/66/343628766.db2.gz PSLUYQJRURAZHL-UHFFFAOYSA-N 1 2 227.333 1.336 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1cnc(N)s1 ZINC000086766100 343628767 /nfs/dbraw/zinc/62/87/67/343628767.db2.gz PSLUYQJRURAZHL-UHFFFAOYSA-N 1 2 227.333 1.336 20 0 BDADLO Nc1cc(C[N@@H+]2C3CCC2(C(=O)[O-])CC3)cc[nH+]1 ZINC000634696778 343634292 /nfs/dbraw/zinc/63/42/92/343634292.db2.gz MQIOKGYUUYEUJV-UHFFFAOYSA-N 1 2 247.298 1.076 20 0 BDADLO Nc1cc(C[N@H+]2C3CCC2(C(=O)[O-])CC3)cc[nH+]1 ZINC000634696778 343634294 /nfs/dbraw/zinc/63/42/94/343634294.db2.gz MQIOKGYUUYEUJV-UHFFFAOYSA-N 1 2 247.298 1.076 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CCCOCC1 ZINC000380052859 343673600 /nfs/dbraw/zinc/67/36/00/343673600.db2.gz VXLHEOWKEROZSQ-QMMMGPOBSA-N 1 2 238.291 1.048 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CCCOCC1 ZINC000380052859 343673603 /nfs/dbraw/zinc/67/36/03/343673603.db2.gz VXLHEOWKEROZSQ-QMMMGPOBSA-N 1 2 238.291 1.048 20 0 BDADLO CCOCc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641168614 362249865 /nfs/dbraw/zinc/24/98/65/362249865.db2.gz KJKYJUYIJSJZKU-UHFFFAOYSA-N 1 2 248.286 1.267 20 0 BDADLO CC1CC(CNc2[nH+]cnc3c2cnn3C)C1 ZINC000621242169 349829807 /nfs/dbraw/zinc/82/98/07/349829807.db2.gz ZKBDOKXVOZTEFX-UHFFFAOYSA-N 1 2 231.303 1.821 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCC12CCC2 ZINC000336263766 537799559 /nfs/dbraw/zinc/79/95/59/537799559.db2.gz UIOWIFZYXQSYGT-UHFFFAOYSA-N 1 2 233.315 1.887 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCC12CCC2 ZINC000336263766 537799569 /nfs/dbraw/zinc/79/95/69/537799569.db2.gz UIOWIFZYXQSYGT-UHFFFAOYSA-N 1 2 233.315 1.887 20 0 BDADLO Cc1csc(C[N@@H+]2CCCOCC2)n1 ZINC000336264937 537799690 /nfs/dbraw/zinc/79/96/90/537799690.db2.gz WGPUCVAGPHEWJA-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO Cc1csc(C[N@H+]2CCCOCC2)n1 ZINC000336264937 537799702 /nfs/dbraw/zinc/79/97/02/537799702.db2.gz WGPUCVAGPHEWJA-UHFFFAOYSA-N 1 2 212.318 1.674 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000570342038 323056710 /nfs/dbraw/zinc/05/67/10/323056710.db2.gz ZJEFNXCCQGQSNZ-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO CCC(C)(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000570342038 323056711 /nfs/dbraw/zinc/05/67/11/323056711.db2.gz ZJEFNXCCQGQSNZ-VIFPVBQESA-N 1 2 223.320 1.893 20 0 BDADLO CCCc1noc(CN2CCc3[nH+]c[nH]c3C2)n1 ZINC000625441081 343741158 /nfs/dbraw/zinc/74/11/58/343741158.db2.gz WZLFZSQHCZFZKO-UHFFFAOYSA-N 1 2 247.302 1.304 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1COCC1(C)C ZINC000312990174 343710475 /nfs/dbraw/zinc/71/04/75/343710475.db2.gz QKJQJEZUDICQOB-QWRGUYRKSA-N 1 2 243.347 1.589 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](C2CCC2)C1 ZINC000620203788 343717757 /nfs/dbraw/zinc/71/77/57/343717757.db2.gz YUQOBYCKFVRWAJ-ZDUSSCGKSA-N 1 2 247.342 1.922 20 0 BDADLO CCn1ccnc1C[N@H+](CCCO)C1CC1 ZINC000309059820 346959869 /nfs/dbraw/zinc/95/98/69/346959869.db2.gz RWDMPKVNXOYFOS-UHFFFAOYSA-N 1 2 223.320 1.250 20 0 BDADLO CCn1ccnc1C[N@@H+](CCCO)C1CC1 ZINC000309059820 346959872 /nfs/dbraw/zinc/95/98/72/346959872.db2.gz RWDMPKVNXOYFOS-UHFFFAOYSA-N 1 2 223.320 1.250 20 0 BDADLO COC(=O)c1sccc1C[N@@H+]1CC[C@H](O)C1 ZINC000088520625 343726889 /nfs/dbraw/zinc/72/68/89/343726889.db2.gz APFZIVOZKBWNCP-VIFPVBQESA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1sccc1C[N@H+]1CC[C@H](O)C1 ZINC000088520625 343726890 /nfs/dbraw/zinc/72/68/90/343726890.db2.gz APFZIVOZKBWNCP-VIFPVBQESA-N 1 2 241.312 1.101 20 0 BDADLO CCO[C@@H](C[N@H+](C)Cc1nncn1C)C1CC1 ZINC000625430415 343731801 /nfs/dbraw/zinc/73/18/01/343731801.db2.gz OTRLLDODOVTTLL-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CCO[C@@H](C[N@@H+](C)Cc1nncn1C)C1CC1 ZINC000625430415 343731804 /nfs/dbraw/zinc/73/18/04/343731804.db2.gz OTRLLDODOVTTLL-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(=O)N1CC([NH2+][C@H](C)c2nccs2)C1 ZINC000584182831 343770765 /nfs/dbraw/zinc/77/07/65/343770765.db2.gz LWRIIFLLYVDJIN-SSDOTTSWSA-N 1 2 225.317 1.024 20 0 BDADLO COc1ccc[nH+]c1NCCO[C@H]1CC1(F)F ZINC000624395199 343752247 /nfs/dbraw/zinc/75/22/47/343752247.db2.gz LSEYFIPDMOWYFB-VIFPVBQESA-N 1 2 244.241 1.926 20 0 BDADLO C[C@H](CC(=O)NCCc1[nH]cc[nH+]1)c1ccco1 ZINC000625451129 343777675 /nfs/dbraw/zinc/77/76/75/343777675.db2.gz VEHPYZZYFGTKJL-SNVBAGLBSA-N 1 2 247.298 1.855 20 0 BDADLO CC(C)(C)CNC(=O)C[N@H+](C1CC1)C1COC1 ZINC000625450397 343777919 /nfs/dbraw/zinc/77/79/19/343777919.db2.gz SHNZDCJAMHLCOK-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO CC(C)(C)CNC(=O)C[N@@H+](C1CC1)C1COC1 ZINC000625450397 343777920 /nfs/dbraw/zinc/77/79/20/343777920.db2.gz SHNZDCJAMHLCOK-UHFFFAOYSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)C(F)(F)F ZINC000625450772 343777942 /nfs/dbraw/zinc/77/79/42/343777942.db2.gz ZUTXJXOKKJZHNF-ZETCQYMHSA-N 1 2 249.236 1.657 20 0 BDADLO Cc1ccc(F)cc1NC(=O)Cn1cc[nH+]c1 ZINC000029594147 343765104 /nfs/dbraw/zinc/76/51/04/343765104.db2.gz JOKAEIVVMHXVHI-UHFFFAOYSA-N 1 2 233.246 1.969 20 0 BDADLO Cc1c([C@@H]2C[C@H]2Nc2cc[nH+]c(C)n2)cnn1C ZINC000584151478 343765728 /nfs/dbraw/zinc/76/57/28/343765728.db2.gz NKYSVKZJKUAJNG-CMPLNLGQSA-N 1 2 243.314 1.795 20 0 BDADLO CN(CCC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808142 529874015 /nfs/dbraw/zinc/87/40/15/529874015.db2.gz CHVNUZZSEVUVKB-IHWYPQMZSA-N 1 2 247.220 1.834 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC000625457895 343859964 /nfs/dbraw/zinc/85/99/64/343859964.db2.gz RMGFQUZZMMSJTR-QMMMGPOBSA-N 1 2 211.240 1.029 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@H](F)C2)n1 ZINC000625457895 343859967 /nfs/dbraw/zinc/85/99/67/343859967.db2.gz RMGFQUZZMMSJTR-QMMMGPOBSA-N 1 2 211.240 1.029 20 0 BDADLO C[N@H+](Cc1cscc1Cl)[C@H]1CCNC1=O ZINC000678342471 488243378 /nfs/dbraw/zinc/24/33/78/488243378.db2.gz TXLHOCLOMDUQRZ-VIFPVBQESA-N 1 2 244.747 1.722 20 0 BDADLO C[N@@H+](Cc1cscc1Cl)[C@H]1CCNC1=O ZINC000678342471 488243379 /nfs/dbraw/zinc/24/33/79/488243379.db2.gz TXLHOCLOMDUQRZ-VIFPVBQESA-N 1 2 244.747 1.722 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370811 347008399 /nfs/dbraw/zinc/00/83/99/347008399.db2.gz NDRYSAHOJPUOHD-NXEZZACHSA-N 1 2 233.315 1.587 20 0 BDADLO CC(C)[C@H]1C[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370811 347008401 /nfs/dbraw/zinc/00/84/01/347008401.db2.gz NDRYSAHOJPUOHD-NXEZZACHSA-N 1 2 233.315 1.587 20 0 BDADLO CCn1ccnc1C[N@H+](CC)C[C@@H]1CCCO1 ZINC000106385158 347010565 /nfs/dbraw/zinc/01/05/65/347010565.db2.gz PYLDSGVDPJSZJN-LBPRGKRZSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ccnc1C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000106385158 347010568 /nfs/dbraw/zinc/01/05/68/347010568.db2.gz PYLDSGVDPJSZJN-LBPRGKRZSA-N 1 2 237.347 1.904 20 0 BDADLO CSCCNc1cc[nH+]c(C2CC2)n1 ZINC000393674763 343909315 /nfs/dbraw/zinc/90/93/15/343909315.db2.gz SNVGGYYTINAEKT-UHFFFAOYSA-N 1 2 209.318 1.551 20 0 BDADLO CCO[C@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000625534704 343919991 /nfs/dbraw/zinc/91/99/91/343919991.db2.gz GDZHZJFLZHGTPQ-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO CCO[C@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000625534704 343919993 /nfs/dbraw/zinc/91/99/93/343919993.db2.gz GDZHZJFLZHGTPQ-MNOVXSKESA-N 1 2 249.301 1.503 20 0 BDADLO Cc1ncc(NC(=O)[C@H](C)[NH+]2CC(C)C2)s1 ZINC000570581976 323063798 /nfs/dbraw/zinc/06/37/98/323063798.db2.gz NOOCZODIHDBHHT-QMMMGPOBSA-N 1 2 239.344 1.730 20 0 BDADLO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ncc[nH]1 ZINC000336738958 537837668 /nfs/dbraw/zinc/83/76/68/537837668.db2.gz KSNDEJKQFHJKGU-RQJHMYQMSA-N 1 2 237.225 1.374 20 0 BDADLO CC(C)COC[C@H](O)CNc1cc[nH+]cc1F ZINC000641299922 362350762 /nfs/dbraw/zinc/35/07/62/362350762.db2.gz YATXJSYQOHWANE-SNVBAGLBSA-N 1 2 242.294 1.088 20 0 BDADLO COc1c(N)[nH+]cnc1NCc1cc(C)ccn1 ZINC000328186077 344117280 /nfs/dbraw/zinc/11/72/80/344117280.db2.gz ORSXMNXEWMQYNO-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO COc1c(N)nc[nH+]c1NCc1cc(C)ccn1 ZINC000328186077 344117281 /nfs/dbraw/zinc/11/72/81/344117281.db2.gz ORSXMNXEWMQYNO-UHFFFAOYSA-N 1 2 245.286 1.383 20 0 BDADLO CCc1noc(C[N@H+](C)CCCSC)n1 ZINC000157924299 344120095 /nfs/dbraw/zinc/12/00/95/344120095.db2.gz FGULACXRBUMCOA-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO CCc1noc(C[N@@H+](C)CCCSC)n1 ZINC000157924299 344120097 /nfs/dbraw/zinc/12/00/97/344120097.db2.gz FGULACXRBUMCOA-UHFFFAOYSA-N 1 2 229.349 1.817 20 0 BDADLO Nc1ccc(NC(=O)[C@]23CCC[C@H]2OCC3)c[nH+]1 ZINC000634735653 344122895 /nfs/dbraw/zinc/12/28/95/344122895.db2.gz MIOKVMBZJUAQOX-MFKMUULPSA-N 1 2 247.298 1.392 20 0 BDADLO FC(F)[C@H]1CCN(Cc2[nH]cc[nH+]2)CCO1 ZINC000634736016 344125068 /nfs/dbraw/zinc/12/50/68/344125068.db2.gz XNCAQKUSCCMFIN-MRVPVSSYSA-N 1 2 231.246 1.266 20 0 BDADLO NC(=O)C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000080681699 344131928 /nfs/dbraw/zinc/13/19/28/344131928.db2.gz SITOFYOYYNEBKW-SNVBAGLBSA-N 1 2 219.288 1.173 20 0 BDADLO CCc1cc(N[C@H]2C[C@@H](O)C2(C)C)nc[nH+]1 ZINC000168296122 537843066 /nfs/dbraw/zinc/84/30/66/537843066.db2.gz HURQHWLGOWVBBK-VHSXEESVSA-N 1 2 221.304 1.610 20 0 BDADLO CCC[C@H](CCO)[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000631425766 344255235 /nfs/dbraw/zinc/25/52/35/344255235.db2.gz KJMIIYYNJAVJKR-SNVBAGLBSA-N 1 2 233.315 1.948 20 0 BDADLO Cc1nc(N2CC[C@H](C3CCCC3)C2)nc(N)[nH+]1 ZINC000631310229 344262640 /nfs/dbraw/zinc/26/26/40/344262640.db2.gz VRLXAKPLTTWKSX-NSHDSACASA-N 1 2 247.346 1.609 20 0 BDADLO Cc1nc(N)nc(N2CC[C@H](C3CCCC3)C2)[nH+]1 ZINC000631310229 344262642 /nfs/dbraw/zinc/26/26/42/344262642.db2.gz VRLXAKPLTTWKSX-NSHDSACASA-N 1 2 247.346 1.609 20 0 BDADLO CCC[N@H+](CC(=O)NC)Cc1ccccc1F ZINC000056508508 344297213 /nfs/dbraw/zinc/29/72/13/344297213.db2.gz JTVCLHFGLLRQKS-UHFFFAOYSA-N 1 2 238.306 1.784 20 0 BDADLO CCC[N@@H+](CC(=O)NC)Cc1ccccc1F ZINC000056508508 344297216 /nfs/dbraw/zinc/29/72/16/344297216.db2.gz JTVCLHFGLLRQKS-UHFFFAOYSA-N 1 2 238.306 1.784 20 0 BDADLO Cc1nc(N[C@H](C)CCc2ccco2)nc(N)[nH+]1 ZINC000384995244 344288852 /nfs/dbraw/zinc/28/88/52/344288852.db2.gz RLEJXJIYEBJBSO-MRVPVSSYSA-N 1 2 247.302 1.041 20 0 BDADLO Cc1nc(N)nc(N[C@H](C)CCc2ccco2)[nH+]1 ZINC000384995244 344288855 /nfs/dbraw/zinc/28/88/55/344288855.db2.gz RLEJXJIYEBJBSO-MRVPVSSYSA-N 1 2 247.302 1.041 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)OC ZINC000622082890 344290148 /nfs/dbraw/zinc/29/01/48/344290148.db2.gz UITFQKHWIHYSJG-DTWKUNHWSA-N 1 2 225.292 1.115 20 0 BDADLO CC[C@@H](C)[C@@H](O)CNc1cc(CO)cc[nH+]1 ZINC000641374292 362382493 /nfs/dbraw/zinc/38/24/93/362382493.db2.gz UOMOEHDTOVKYRI-KOLCDFICSA-N 1 2 224.304 1.393 20 0 BDADLO CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C(=O)OC ZINC000600616014 344337196 /nfs/dbraw/zinc/33/71/96/344337196.db2.gz XPIWIKMNLRQUIS-GARJFASQSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)ncn1 ZINC000620603079 344352728 /nfs/dbraw/zinc/35/27/28/344352728.db2.gz HHXGKEBKGQBRRC-SECBINFHSA-N 1 2 245.286 1.010 20 0 BDADLO C[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1[nH+]ccn1C ZINC000620604098 344354636 /nfs/dbraw/zinc/35/46/36/344354636.db2.gz OEYALYQYAXYHAY-YIZRAAEISA-N 1 2 207.277 1.253 20 0 BDADLO CC1(CS(=O)(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000641394948 362389616 /nfs/dbraw/zinc/38/96/16/362389616.db2.gz OLOUQUAZQWAISS-UHFFFAOYSA-N 1 2 243.332 1.019 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620650785 344436462 /nfs/dbraw/zinc/43/64/62/344436462.db2.gz DFOXWOPDSWFMIJ-LLVKDONJSA-N 1 2 247.298 1.742 20 0 BDADLO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cn[nH]c1C ZINC000186513260 537844868 /nfs/dbraw/zinc/84/48/68/537844868.db2.gz FLHCRPTYKRYGFK-ANNNZRCOSA-N 1 2 223.320 1.696 20 0 BDADLO CCCCSCCc1nc(C[NH2+]C)no1 ZINC000309843929 344467773 /nfs/dbraw/zinc/46/77/73/344467773.db2.gz RPZHMRIHROMADL-UHFFFAOYSA-N 1 2 229.349 1.865 20 0 BDADLO CC(C)(O)Cn1cc[nH+]c1-c1cccnc1 ZINC000151947407 344471090 /nfs/dbraw/zinc/47/10/90/344471090.db2.gz WCKACMPRYFPHDJ-UHFFFAOYSA-N 1 2 217.272 1.716 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)[C@H]1CCOC1 ZINC000641399050 362393621 /nfs/dbraw/zinc/39/36/21/362393621.db2.gz YCYOKLMGXRQPCC-IUCAKERBSA-N 1 2 210.252 1.480 20 0 BDADLO COC(=O)[C@@H](C)SCc1cn(C)c[nH+]1 ZINC000603313447 349911845 /nfs/dbraw/zinc/91/18/45/349911845.db2.gz DZNVFXVSAHXHDC-SSDOTTSWSA-N 1 2 214.290 1.215 20 0 BDADLO Cc1ccc(F)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000053009517 178670231 /nfs/dbraw/zinc/67/02/31/178670231.db2.gz ZRMJYJCVYMCLJU-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO CC(C)(CCO)CNc1cc[nH+]cc1F ZINC000641410679 362400948 /nfs/dbraw/zinc/40/09/48/362400948.db2.gz UVUZHAXRVUETNI-UHFFFAOYSA-N 1 2 212.268 1.463 20 0 BDADLO Cc1nc2n(n1)CCN(c1cc[nH+]cc1F)C2 ZINC000641414828 362402832 /nfs/dbraw/zinc/40/28/32/362402832.db2.gz JMFNCOSWDIQFBR-UHFFFAOYSA-N 1 2 233.250 1.141 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2ncc[nH]2)n(C)n1 ZINC000336777885 537847514 /nfs/dbraw/zinc/84/75/14/537847514.db2.gz JSZQGKXFAIZXRH-SECBINFHSA-N 1 2 219.292 1.302 20 0 BDADLO CCOC(=O)C[N@H+](CC)[C@@H]1CCCOC1 ZINC000220502940 344542517 /nfs/dbraw/zinc/54/25/17/344542517.db2.gz BQLRICJHEIQVDN-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCOC(=O)C[N@@H+](CC)[C@@H]1CCCOC1 ZINC000220502940 344542518 /nfs/dbraw/zinc/54/25/18/344542518.db2.gz BQLRICJHEIQVDN-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000641439492 362419779 /nfs/dbraw/zinc/41/97/79/362419779.db2.gz DXIMEGWIAVSLND-UPJWGTAASA-N 1 2 248.326 1.943 20 0 BDADLO C[C@H]1OCCN(c2cc[nH+]cc2F)[C@@H]1C ZINC000641443966 362422083 /nfs/dbraw/zinc/42/20/83/362422083.db2.gz NWVZYJDWHVLOQM-RKDXNWHRSA-N 1 2 210.252 1.834 20 0 BDADLO CC1(C)C[N@H+](Cc2cncnc2)CCO1 ZINC000119260403 487535547 /nfs/dbraw/zinc/53/55/47/487535547.db2.gz QUSXAOZWCZFOTI-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO CC1(C)C[N@@H+](Cc2cncnc2)CCO1 ZINC000119260403 487535553 /nfs/dbraw/zinc/53/55/53/487535553.db2.gz QUSXAOZWCZFOTI-UHFFFAOYSA-N 1 2 207.277 1.087 20 0 BDADLO CC(C)(C)C[C@H](CO)Nc1cc(CO)cc[nH+]1 ZINC000641451295 362426097 /nfs/dbraw/zinc/42/60/97/362426097.db2.gz OUSJRLMCXUMREF-LLVKDONJSA-N 1 2 238.331 1.783 20 0 BDADLO CN(CCc1nccs1)c1cc(CO)cc[nH+]1 ZINC000641460599 362433156 /nfs/dbraw/zinc/43/31/56/362433156.db2.gz UZMNXFBJPUYQTE-UHFFFAOYSA-N 1 2 249.339 1.709 20 0 BDADLO CC(C)(O)[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000641468387 362436394 /nfs/dbraw/zinc/43/63/94/362436394.db2.gz KVKOEUCSOLWCJD-NSHDSACASA-N 1 2 224.279 1.960 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ccc(O)cc1 ZINC000309407100 347056666 /nfs/dbraw/zinc/05/66/66/347056666.db2.gz VCJRBBDGKVCECJ-UHFFFAOYSA-N 1 2 217.228 1.227 20 0 BDADLO C[C@@H]1C[C@@H](CNc2cc[nH+]cc2F)CCO1 ZINC000641477832 362446402 /nfs/dbraw/zinc/44/64/02/362446402.db2.gz LVAZPGZCMFMKBI-ZJUUUORDSA-N 1 2 224.279 1.870 20 0 BDADLO C[C@]1(CNc2cc[nH+]cc2F)CCCO1 ZINC000641427795 362411742 /nfs/dbraw/zinc/41/17/42/362411742.db2.gz CMHKQYDHDLAVTE-LLVKDONJSA-N 1 2 210.252 1.624 20 0 BDADLO C[C@@H](C[C@@H]1CCOC1)Nc1cc[nH+]cc1F ZINC000641436065 362417317 /nfs/dbraw/zinc/41/73/17/362417317.db2.gz NENBPGFWDGXEJY-UWVGGRQHSA-N 1 2 224.279 1.870 20 0 BDADLO CC(C)[C@H](O)C1(CNc2cc[nH+]cc2F)CC1 ZINC000641479861 362447770 /nfs/dbraw/zinc/44/77/70/362447770.db2.gz NOCKFXZNSLCKFN-LBPRGKRZSA-N 1 2 238.306 1.852 20 0 BDADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C[C@H]1F ZINC000641483398 362450987 /nfs/dbraw/zinc/45/09/87/362450987.db2.gz NYPACFTXIPERTL-MWLCHTKSSA-N 1 2 224.279 1.758 20 0 BDADLO Cc1cn2c(n1)CN(c1cc(CO)cc[nH+]1)CC2 ZINC000641485229 362453656 /nfs/dbraw/zinc/45/36/56/362453656.db2.gz DLBPVQFZXDXMNY-UHFFFAOYSA-N 1 2 244.298 1.099 20 0 BDADLO CCO[C@@H](C(=O)NCc1[nH]c[nH+]c1C)C(C)C ZINC000625966598 344614953 /nfs/dbraw/zinc/61/49/53/344614953.db2.gz ORMZXSROUJPNGU-LLVKDONJSA-N 1 2 239.319 1.395 20 0 BDADLO OCC[C@@H]1CCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641503837 362466902 /nfs/dbraw/zinc/46/69/02/362466902.db2.gz IAFGADYVMHVHCY-RYUDHWBXSA-N 1 2 236.315 1.537 20 0 BDADLO CCC(O)(CC)CCNc1cc(CO)cc[nH+]1 ZINC000641527118 362481058 /nfs/dbraw/zinc/48/10/58/362481058.db2.gz FFCRWFLQUGVNOR-UHFFFAOYSA-N 1 2 238.331 1.927 20 0 BDADLO CN(Cc1cccnc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493740977 530005634 /nfs/dbraw/zinc/00/56/34/530005634.db2.gz PCAYNGLWSNAEJC-SNAWJCMRSA-N 1 2 242.282 1.477 20 0 BDADLO COC(=O)C[C@H](C)Nc1nc[nH+]c2c1CCC2 ZINC000259436563 344650596 /nfs/dbraw/zinc/65/05/96/344650596.db2.gz OKQLIOIXCGWEIT-QMMMGPOBSA-N 1 2 235.287 1.329 20 0 BDADLO CCOC(=O)C[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000049573386 344653738 /nfs/dbraw/zinc/65/37/38/344653738.db2.gz WNADTSCHOOXFQJ-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO CCOC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CC1 ZINC000049573386 344653740 /nfs/dbraw/zinc/65/37/40/344653740.db2.gz WNADTSCHOOXFQJ-NSHDSACASA-N 1 2 227.304 1.193 20 0 BDADLO CCc1cnc(C[N@H+](C)[C@@H]2CCCOC2)o1 ZINC000574143887 344676697 /nfs/dbraw/zinc/67/66/97/344676697.db2.gz ALGKOWOLYUKGCR-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO CCc1cnc(C[N@@H+](C)[C@@H]2CCCOC2)o1 ZINC000574143887 344676699 /nfs/dbraw/zinc/67/66/99/344676699.db2.gz ALGKOWOLYUKGCR-SNVBAGLBSA-N 1 2 224.304 1.848 20 0 BDADLO Oc1cccc2c1CC[N@H+](Cc1ccno1)C2 ZINC000626026172 344679057 /nfs/dbraw/zinc/67/90/57/344679057.db2.gz YIOGXUZFVCENNG-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO Oc1cccc2c1CC[N@@H+](Cc1ccno1)C2 ZINC000626026172 344679059 /nfs/dbraw/zinc/67/90/59/344679059.db2.gz YIOGXUZFVCENNG-UHFFFAOYSA-N 1 2 230.267 1.939 20 0 BDADLO CSC[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000603297625 349915045 /nfs/dbraw/zinc/91/50/45/349915045.db2.gz UTMONGURZHLXBD-LLVKDONJSA-N 1 2 242.344 1.100 20 0 BDADLO CCOC(=O)CCN(C)c1cc(CC)[nH+]cn1 ZINC000050087116 344640414 /nfs/dbraw/zinc/64/04/14/344640414.db2.gz IRFVZHYVLXYDNW-UHFFFAOYSA-N 1 2 237.303 1.428 20 0 BDADLO Cn1cncc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026894 344679653 /nfs/dbraw/zinc/67/96/53/344679653.db2.gz COKWOPLVZGRZTJ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cncc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000626026894 344679655 /nfs/dbraw/zinc/67/96/55/344679655.db2.gz COKWOPLVZGRZTJ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1c[nH+]cc1CN1CCc2c(O)cccc2C1 ZINC000626026894 344679657 /nfs/dbraw/zinc/67/96/57/344679657.db2.gz COKWOPLVZGRZTJ-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO C[C@H](Cc1nc([C@@H]2CCOC2)no1)n1cc[nH+]c1 ZINC000351394217 344750484 /nfs/dbraw/zinc/75/04/84/344750484.db2.gz BWMUJWZHRCFLBC-NXEZZACHSA-N 1 2 248.286 1.574 20 0 BDADLO CCCCS[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000114126329 344683489 /nfs/dbraw/zinc/68/34/89/344683489.db2.gz ZCCBNDUAPLQUQM-SECBINFHSA-N 1 2 241.360 1.948 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccnc1 ZINC000578023423 344686406 /nfs/dbraw/zinc/68/64/06/344686406.db2.gz WSZRZGBZAUCKOJ-UWVGGRQHSA-N 1 2 243.314 1.696 20 0 BDADLO C[C@H](NC(=O)c1ccncc1)c1[nH+]ccn1C ZINC000082279018 344713447 /nfs/dbraw/zinc/71/34/47/344713447.db2.gz LJZZCYXNNNMMRY-VIFPVBQESA-N 1 2 230.271 1.306 20 0 BDADLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCCC1)C1CC1 ZINC000560522658 344767591 /nfs/dbraw/zinc/76/75/91/344767591.db2.gz ZGJDFKXRHJRHOT-LLVKDONJSA-N 1 2 248.330 1.677 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@H](O)CC)C(=O)OC ZINC000075748007 344779203 /nfs/dbraw/zinc/77/92/03/344779203.db2.gz DZKXUQPALWELAU-MWLCHTKSSA-N 1 2 217.309 1.079 20 0 BDADLO CSC[C@@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000603302363 349916377 /nfs/dbraw/zinc/91/63/77/349916377.db2.gz FBBFURYUBKRDAQ-SNVBAGLBSA-N 1 2 242.344 1.100 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000075673247 344783774 /nfs/dbraw/zinc/78/37/74/344783774.db2.gz ULTHVFAMGVRLGW-SNVBAGLBSA-N 1 2 242.344 1.246 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H]2CO)cs1 ZINC000075673247 344783777 /nfs/dbraw/zinc/78/37/77/344783777.db2.gz ULTHVFAMGVRLGW-SNVBAGLBSA-N 1 2 242.344 1.246 20 0 BDADLO Cc1nnc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000075891544 344787023 /nfs/dbraw/zinc/78/70/23/344787023.db2.gz LVTZWNZSTOTFER-OCAPTIKFSA-N 1 2 227.333 1.704 20 0 BDADLO Cc1nnc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000075891544 344787026 /nfs/dbraw/zinc/78/70/26/344787026.db2.gz LVTZWNZSTOTFER-OCAPTIKFSA-N 1 2 227.333 1.704 20 0 BDADLO COC(=O)C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000075899382 344787875 /nfs/dbraw/zinc/78/78/75/344787875.db2.gz BQEAQBGLUDVLNW-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO COC(=O)C[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000075899382 344787876 /nfs/dbraw/zinc/78/78/76/344787876.db2.gz BQEAQBGLUDVLNW-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO Cc1c[nH]c(CN2C[C@@H](C)OC[C@@H]2C)[nH+]1 ZINC000628140305 344805541 /nfs/dbraw/zinc/80/55/41/344805541.db2.gz GLEZWZXVGSJHGC-VHSXEESVSA-N 1 2 209.293 1.327 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC(C)C1 ZINC000623040384 347079776 /nfs/dbraw/zinc/07/97/76/347079776.db2.gz VSDGXUUXMDQOPW-YVNMAJEFSA-N 1 2 235.331 1.751 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC(C)C1 ZINC000623040384 347079781 /nfs/dbraw/zinc/07/97/81/347079781.db2.gz VSDGXUUXMDQOPW-YVNMAJEFSA-N 1 2 235.331 1.751 20 0 BDADLO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000425153153 192077745 /nfs/dbraw/zinc/07/77/45/192077745.db2.gz IXLLDMJEIGQLMW-WISYIIOYSA-N 1 2 245.326 1.360 20 0 BDADLO CCOCCC(=O)NCCNc1cccc[nH+]1 ZINC000076961077 344811037 /nfs/dbraw/zinc/81/10/37/344811037.db2.gz IXVFBWPWDKQVNI-UHFFFAOYSA-N 1 2 237.303 1.036 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC=CC1 ZINC000076958795 344811364 /nfs/dbraw/zinc/81/13/64/344811364.db2.gz QNSIPORDSSSONC-SNVBAGLBSA-N 1 2 219.288 1.354 20 0 BDADLO COC[C@H]1CCC[N@@H+]1Cc1nnc(C)s1 ZINC000678624594 488274018 /nfs/dbraw/zinc/27/40/18/488274018.db2.gz DSARYPYUWDNNDD-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO COC[C@H]1CCC[N@H+]1Cc1nnc(C)s1 ZINC000678624594 488274020 /nfs/dbraw/zinc/27/40/20/488274020.db2.gz DSARYPYUWDNNDD-SECBINFHSA-N 1 2 227.333 1.457 20 0 BDADLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1F ZINC000424797340 192078736 /nfs/dbraw/zinc/07/87/36/192078736.db2.gz RHACXPUCLGZRAJ-LNLATYFQSA-N 1 2 237.278 1.062 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628148584 344833804 /nfs/dbraw/zinc/83/38/04/344833804.db2.gz TWZKAGNATJKIQQ-NSHDSACASA-N 1 2 249.314 1.262 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628148584 344833808 /nfs/dbraw/zinc/83/38/08/344833808.db2.gz TWZKAGNATJKIQQ-NSHDSACASA-N 1 2 249.314 1.262 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)C[C@H](C)O1 ZINC000628155317 344847314 /nfs/dbraw/zinc/84/73/14/344847314.db2.gz WCJIUJRONZNMED-WDEREUQCSA-N 1 2 223.320 1.717 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000628157968 344852690 /nfs/dbraw/zinc/85/26/90/344852690.db2.gz BAYLDFAAABQNKB-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000628157968 344852692 /nfs/dbraw/zinc/85/26/92/344852692.db2.gz BAYLDFAAABQNKB-SNVBAGLBSA-N 1 2 243.310 1.488 20 0 BDADLO Cc1[nH]c(CN2CCC[C@@H]2c2ncon2)[nH+]c1C ZINC000628160966 344858373 /nfs/dbraw/zinc/85/83/73/344858373.db2.gz MZFKFGBRHWHZFT-SNVBAGLBSA-N 1 2 247.302 1.747 20 0 BDADLO CCN(Cc1cnn(C)c1)Cc1[nH]cc(C)[nH+]1 ZINC000628153420 344843572 /nfs/dbraw/zinc/84/35/72/344843572.db2.gz OJVWVBDFDSJGME-UHFFFAOYSA-N 1 2 233.319 1.474 20 0 BDADLO COCCN(Cc1[nH]cc(C)[nH+]1)CC(F)F ZINC000628162095 344862859 /nfs/dbraw/zinc/86/28/59/344862859.db2.gz CUMYMPZOIYWLLH-UHFFFAOYSA-N 1 2 233.262 1.432 20 0 BDADLO Cc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000628177242 344905792 /nfs/dbraw/zinc/90/57/92/344905792.db2.gz QEAPGCNNAMAJBE-AOOOYVTPSA-N 1 2 208.261 1.346 20 0 BDADLO Cc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000628177242 344905794 /nfs/dbraw/zinc/90/57/94/344905794.db2.gz QEAPGCNNAMAJBE-AOOOYVTPSA-N 1 2 208.261 1.346 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000335306385 534978571 /nfs/dbraw/zinc/97/85/71/534978571.db2.gz JUHMMPCVXIVRPX-WDEREUQCSA-N 1 2 240.347 1.153 20 0 BDADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000335306385 534978576 /nfs/dbraw/zinc/97/85/76/534978576.db2.gz JUHMMPCVXIVRPX-WDEREUQCSA-N 1 2 240.347 1.153 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)C[C@@]1(C)CCCS1 ZINC000628179693 344915698 /nfs/dbraw/zinc/91/56/98/344915698.db2.gz KYWDBQHQQKZTAJ-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)C[C@@]1(C)CCCS1 ZINC000628179693 344915700 /nfs/dbraw/zinc/91/57/00/344915700.db2.gz KYWDBQHQQKZTAJ-SNVBAGLBSA-N 1 2 226.349 1.522 20 0 BDADLO CN1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628180728 344920908 /nfs/dbraw/zinc/92/09/08/344920908.db2.gz CDHKDWBWZOZJMS-LLVKDONJSA-N 1 2 249.314 1.215 20 0 BDADLO CN1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628180728 344920911 /nfs/dbraw/zinc/92/09/11/344920911.db2.gz CDHKDWBWZOZJMS-LLVKDONJSA-N 1 2 249.314 1.215 20 0 BDADLO C[C@@H](SCc1ccc[nH+]c1N)[C@H](C)O ZINC000235552812 344939529 /nfs/dbraw/zinc/93/95/29/344939529.db2.gz SDUPZAHYYAYYRX-JGVFFNPUSA-N 1 2 212.318 1.666 20 0 BDADLO COC(=O)C[N@H+](C[C@H]1CCCCO1)C1CC1 ZINC000079500120 344981582 /nfs/dbraw/zinc/98/15/82/344981582.db2.gz VUOSRPSWHJAYOR-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO COC(=O)C[N@@H+](C[C@H]1CCCCO1)C1CC1 ZINC000079500120 344981584 /nfs/dbraw/zinc/98/15/84/344981584.db2.gz VUOSRPSWHJAYOR-LLVKDONJSA-N 1 2 227.304 1.193 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C(F)(F)F ZINC000079577388 344991957 /nfs/dbraw/zinc/99/19/57/344991957.db2.gz QGKVJZLJLQEBML-YUMQZZPRSA-N 1 2 249.236 1.586 20 0 BDADLO Fc1c[nH+]ccc1N1C[C@@H]2COC[C@@H]2C1 ZINC000641553314 362498140 /nfs/dbraw/zinc/49/81/40/362498140.db2.gz OXVZWKRRODXCKO-DTORHVGOSA-N 1 2 208.236 1.303 20 0 BDADLO CCN(CCOCCO)c1cc[nH+]cc1F ZINC000641555642 362500240 /nfs/dbraw/zinc/50/02/40/362500240.db2.gz PQVUBTBRRBOZSK-UHFFFAOYSA-N 1 2 228.267 1.056 20 0 BDADLO CCNC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000079885319 345049030 /nfs/dbraw/zinc/04/90/30/345049030.db2.gz HJXOUTOONFUVFX-SNVBAGLBSA-N 1 2 221.304 1.211 20 0 BDADLO CCNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000079885319 345049031 /nfs/dbraw/zinc/04/90/31/345049031.db2.gz HJXOUTOONFUVFX-SNVBAGLBSA-N 1 2 221.304 1.211 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154092581 345014730 /nfs/dbraw/zinc/01/47/30/345014730.db2.gz WHMATBMXXCZVFE-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CCCNC(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154092581 345014731 /nfs/dbraw/zinc/01/47/31/345014731.db2.gz WHMATBMXXCZVFE-LLVKDONJSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154228929 345021429 /nfs/dbraw/zinc/02/14/29/345021429.db2.gz WGTDBFXQJUDOHS-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154228929 345021434 /nfs/dbraw/zinc/02/14/34/345021434.db2.gz WGTDBFXQJUDOHS-UHFFFAOYSA-N 1 2 240.347 1.156 20 0 BDADLO Cn1c[nH+]c(CS[C@@H]2CCCOC2)c1 ZINC000603321131 349922315 /nfs/dbraw/zinc/92/23/15/349922315.db2.gz BCKJEZGSCJHQFC-SNVBAGLBSA-N 1 2 212.318 1.832 20 0 BDADLO COc1ccc(NC[C@@]2(OC)CCOC2)[nH+]c1 ZINC000234990472 537883802 /nfs/dbraw/zinc/88/38/02/537883802.db2.gz FIIOAZVPHCOAEC-LBPRGKRZSA-N 1 2 238.287 1.308 20 0 BDADLO Cc1cc(=O)c(C(=O)Nc2cc[nH+]cc2O)c[nH]1 ZINC000154525236 345040412 /nfs/dbraw/zinc/04/04/12/345040412.db2.gz JLQGUEDDJXGXOX-UHFFFAOYSA-N 1 2 245.238 1.036 20 0 BDADLO CC[C@@H](Nc1cc(CO)cc[nH+]1)[C@@H](C)O ZINC000641620989 362553202 /nfs/dbraw/zinc/55/32/02/362553202.db2.gz KAQWPKLNMCTVQN-PSASIEDQSA-N 1 2 210.277 1.145 20 0 BDADLO C[C@@H]1COCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641594446 362535573 /nfs/dbraw/zinc/53/55/73/362535573.db2.gz LCWPDRINLGUETE-NXEZZACHSA-N 1 2 224.279 1.727 20 0 BDADLO OCc1cc[nH+]c(NCCC2(CO)CC2)c1 ZINC000641622294 362554524 /nfs/dbraw/zinc/55/45/24/362554524.db2.gz PZLXZXGNMOSXQU-UHFFFAOYSA-N 1 2 222.288 1.148 20 0 BDADLO Cc1nc(N(C)C2CC(C)(C)C2)nc(N)[nH+]1 ZINC000395400299 362542110 /nfs/dbraw/zinc/54/21/10/362542110.db2.gz GIOVZEKXLVVVHR-UHFFFAOYSA-N 1 2 221.308 1.217 20 0 BDADLO Cc1nc(N)nc(N(C)C2CC(C)(C)C2)[nH+]1 ZINC000395400299 362542116 /nfs/dbraw/zinc/54/21/16/362542116.db2.gz GIOVZEKXLVVVHR-UHFFFAOYSA-N 1 2 221.308 1.217 20 0 BDADLO O[C@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000641612809 362545472 /nfs/dbraw/zinc/54/54/72/362545472.db2.gz HNZFWXFRISHOFX-VIFPVBQESA-N 1 2 210.252 1.572 20 0 BDADLO CC[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CCO1 ZINC000641640360 362570036 /nfs/dbraw/zinc/57/00/36/362570036.db2.gz OBOXWEWMNWGGTL-NWDGAFQWSA-N 1 2 236.315 1.943 20 0 BDADLO C[C@]12COC[C@@H]1CN(c1cc[nH+]cc1F)C2 ZINC000641658129 362582118 /nfs/dbraw/zinc/58/21/18/362582118.db2.gz BZPRAYQFWLSKIG-CABZTGNLSA-N 1 2 222.263 1.693 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NCC2CCC2)[C@@H]1C ZINC000156045607 345120482 /nfs/dbraw/zinc/12/04/82/345120482.db2.gz KLOBUMFDRGGENX-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NCC2CCC2)[C@@H]1C ZINC000156045607 345120484 /nfs/dbraw/zinc/12/04/84/345120484.db2.gz KLOBUMFDRGGENX-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO OC1(C2CCN(c3cc[nH+]cc3F)CC2)CC1 ZINC000641649128 362575936 /nfs/dbraw/zinc/57/59/36/362575936.db2.gz AFXQMXRZKYMQAZ-UHFFFAOYSA-N 1 2 236.290 1.962 20 0 BDADLO C[C@H]1C[C@H](Nc2cc[nH+]cc2F)c2ncnn21 ZINC000641656096 362579934 /nfs/dbraw/zinc/57/99/34/362579934.db2.gz CHLLJGPNOZEAAA-XVKPBYJWSA-N 1 2 233.250 1.352 20 0 BDADLO OCCC[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641624465 362556660 /nfs/dbraw/zinc/55/66/60/362556660.db2.gz GINMAHTXAPTVLX-SNVBAGLBSA-N 1 2 224.279 1.820 20 0 BDADLO CC1(C)COC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641628675 362558802 /nfs/dbraw/zinc/55/88/02/362558802.db2.gz GJUFQKSJQHLNFZ-SNVBAGLBSA-N 1 2 222.288 1.411 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NCc1ccon1 ZINC000634983454 345166704 /nfs/dbraw/zinc/16/67/04/345166704.db2.gz OPRNZOZNCAWJGN-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CN(CC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156175322 345131614 /nfs/dbraw/zinc/13/16/14/345131614.db2.gz KDSQBPKSNQJXOC-NSHDSACASA-N 1 2 233.315 1.314 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156274998 345143560 /nfs/dbraw/zinc/14/35/60/345143560.db2.gz PFFXORCTJOBZQF-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156274998 345143563 /nfs/dbraw/zinc/14/35/63/345143563.db2.gz PFFXORCTJOBZQF-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO Cc1cc(NC(=O)[C@@H]2CCO[C@@H](C)C2)c(C)c[nH+]1 ZINC000561612931 345154188 /nfs/dbraw/zinc/15/41/88/345154188.db2.gz RWNWLTMRCDWWRJ-NWDGAFQWSA-N 1 2 248.326 1.874 20 0 BDADLO Cc1cn2ccc(C(=O)N3CCC3)cc2[nH+]1 ZINC000635137419 345256106 /nfs/dbraw/zinc/25/61/06/345256106.db2.gz PSCVJTKODPWZDB-UHFFFAOYSA-N 1 2 215.256 1.489 20 0 BDADLO CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635068492 345237651 /nfs/dbraw/zinc/23/76/51/345237651.db2.gz JMPXDFPCUOKWAT-SSDOTTSWSA-N 1 2 235.209 1.513 20 0 BDADLO CCc1c[nH]c(CC(=O)N2CCC(C)CC2)[nH+]1 ZINC000635074871 345240016 /nfs/dbraw/zinc/24/00/16/345240016.db2.gz HWNDBTNALKQIFN-UHFFFAOYSA-N 1 2 235.331 1.773 20 0 BDADLO C[N@H+](CCCn1cc[nH+]c1)[C@@H](C(=O)[O-])C1CC1 ZINC000635015714 345219964 /nfs/dbraw/zinc/21/99/64/345219964.db2.gz HLGRDDNIJQMZHV-LLVKDONJSA-N 1 2 237.303 1.068 20 0 BDADLO C[N@@H+](CCCn1cc[nH+]c1)[C@@H](C(=O)[O-])C1CC1 ZINC000635015714 345219967 /nfs/dbraw/zinc/21/99/67/345219967.db2.gz HLGRDDNIJQMZHV-LLVKDONJSA-N 1 2 237.303 1.068 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000635016323 345221024 /nfs/dbraw/zinc/22/10/24/345221024.db2.gz LXOFRMPHXJBERI-MNOVXSKESA-N 1 2 249.314 1.452 20 0 BDADLO O=C([O-])[C@H](C1CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000635016323 345221026 /nfs/dbraw/zinc/22/10/26/345221026.db2.gz LXOFRMPHXJBERI-MNOVXSKESA-N 1 2 249.314 1.452 20 0 BDADLO COc1ncccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635344155 345315622 /nfs/dbraw/zinc/31/56/22/345315622.db2.gz ACRCQRXLEHMZBB-NSHDSACASA-N 1 2 249.314 1.513 20 0 BDADLO COc1ncccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635344155 345315627 /nfs/dbraw/zinc/31/56/27/345315627.db2.gz ACRCQRXLEHMZBB-NSHDSACASA-N 1 2 249.314 1.513 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000408468018 345317643 /nfs/dbraw/zinc/31/76/43/345317643.db2.gz PIIARFJBPXHVKS-SCZZXKLOSA-N 1 2 224.308 1.285 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)[nH]1 ZINC000408468018 345317645 /nfs/dbraw/zinc/31/76/45/345317645.db2.gz PIIARFJBPXHVKS-SCZZXKLOSA-N 1 2 224.308 1.285 20 0 BDADLO CC(C)C[C@H](C(=O)NCC1CC1)n1cc[nH+]c1 ZINC000635194256 345269421 /nfs/dbraw/zinc/26/94/21/345269421.db2.gz OGAMJMSJEUODKK-GFCCVEGCSA-N 1 2 235.331 1.997 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635246803 345283534 /nfs/dbraw/zinc/28/35/34/345283534.db2.gz DPWBQWZDMNAVQC-NXEZZACHSA-N 1 2 221.304 1.772 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635246803 345283535 /nfs/dbraw/zinc/28/35/35/345283535.db2.gz DPWBQWZDMNAVQC-NXEZZACHSA-N 1 2 221.304 1.772 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000678802613 488285187 /nfs/dbraw/zinc/28/51/87/488285187.db2.gz FFEJKVFVXCILFX-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO CCC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000678802613 488285191 /nfs/dbraw/zinc/28/51/91/488285191.db2.gz FFEJKVFVXCILFX-GHMZBOCLSA-N 1 2 228.336 1.012 20 0 BDADLO Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635336884 345312555 /nfs/dbraw/zinc/31/25/55/345312555.db2.gz MIGUWRLXPIKNDC-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635336884 345312557 /nfs/dbraw/zinc/31/25/57/345312557.db2.gz MIGUWRLXPIKNDC-NXEZZACHSA-N 1 2 242.282 1.855 20 0 BDADLO CN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635411611 345354419 /nfs/dbraw/zinc/35/44/19/345354419.db2.gz PBFKICQOOCRJLQ-RNFRBKRXSA-N 1 2 247.220 1.534 20 0 BDADLO CN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635411611 345354421 /nfs/dbraw/zinc/35/44/21/345354421.db2.gz PBFKICQOOCRJLQ-RNFRBKRXSA-N 1 2 247.220 1.534 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635463150 345380729 /nfs/dbraw/zinc/38/07/29/345380729.db2.gz FKEUPEGHOVMJOU-NSHDSACASA-N 1 2 235.287 1.630 20 0 BDADLO O=C(Nc1cnoc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635463150 345380732 /nfs/dbraw/zinc/38/07/32/345380732.db2.gz FKEUPEGHOVMJOU-NSHDSACASA-N 1 2 235.287 1.630 20 0 BDADLO O[C@H](CCNc1cccc[nH+]1)C(F)F ZINC000631461852 345385075 /nfs/dbraw/zinc/38/50/75/345385075.db2.gz OYUJLBBBRUMJIG-SSDOTTSWSA-N 1 2 202.204 1.510 20 0 BDADLO CCc1nnc(C[N@H+](C)CCOCC2CC2)[nH]1 ZINC000158883294 345386182 /nfs/dbraw/zinc/38/61/82/345386182.db2.gz KAISRIWLYNEJQJ-UHFFFAOYSA-N 1 2 238.335 1.226 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCOCC2CC2)[nH]1 ZINC000158883294 345386183 /nfs/dbraw/zinc/38/61/83/345386183.db2.gz KAISRIWLYNEJQJ-UHFFFAOYSA-N 1 2 238.335 1.226 20 0 BDADLO CCc1c[nH]c(CC(=O)Nc2nncs2)[nH+]1 ZINC000635362554 345325218 /nfs/dbraw/zinc/32/52/18/345325218.db2.gz IJJVAIVXLMNOJZ-UHFFFAOYSA-N 1 2 237.288 1.005 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)n[nH]1 ZINC000635513116 345406666 /nfs/dbraw/zinc/40/66/66/345406666.db2.gz WNBKRUJDJCINOI-JTQLQIEISA-N 1 2 249.318 1.069 20 0 BDADLO Cc1nc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)n[nH]1 ZINC000635513116 345406667 /nfs/dbraw/zinc/40/66/67/345406667.db2.gz WNBKRUJDJCINOI-JTQLQIEISA-N 1 2 249.318 1.069 20 0 BDADLO COC[C@H]([NH3+])c1nc(-c2ccc(C)cc2)no1 ZINC000159326708 345424367 /nfs/dbraw/zinc/42/43/67/345424367.db2.gz AZCMTVKDMSWAAL-JTQLQIEISA-N 1 2 233.271 1.691 20 0 BDADLO CCc1ccc(-c2noc([C@H]([NH3+])COC)n2)cc1 ZINC000159334644 345425214 /nfs/dbraw/zinc/42/52/14/345425214.db2.gz URNAOMKMAYTRGW-LLVKDONJSA-N 1 2 247.298 1.945 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](O)C2)[nH+]1 ZINC000080762541 345449537 /nfs/dbraw/zinc/44/95/37/345449537.db2.gz BRYJNNGLTFHNIJ-SECBINFHSA-N 1 2 232.287 1.227 20 0 BDADLO CC(C)C[C@H](C(=O)N[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000635487913 345392641 /nfs/dbraw/zinc/39/26/41/345392641.db2.gz VVCVZDBSULTNHJ-IJLUTSLNSA-N 1 2 235.331 1.995 20 0 BDADLO Cc1cc(N(C)[C@@H](C)CO)nc(C(C)C)[nH+]1 ZINC000158994407 345395551 /nfs/dbraw/zinc/39/55/51/345395551.db2.gz RDCVSCLYBIGCAC-JTQLQIEISA-N 1 2 223.320 1.725 20 0 BDADLO O[C@@]1(C2CC2)CCCN(c2cc[nH+]cc2F)C1 ZINC000641658916 362583483 /nfs/dbraw/zinc/58/34/83/362583483.db2.gz HYFUNCZKLGLGKU-ZDUSSCGKSA-N 1 2 236.290 1.962 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC([C@@H](C)O)C2)[nH+]1 ZINC000641658566 362583636 /nfs/dbraw/zinc/58/36/36/362583636.db2.gz HRHKXSBNDVEBLJ-SSDOTTSWSA-N 1 2 232.287 1.083 20 0 BDADLO CO[C@]1(CO)CCCN(c2cc[nH+]cc2F)C1 ZINC000641660052 362585028 /nfs/dbraw/zinc/58/50/28/362585028.db2.gz ZOZQXTNLPASMIF-GFCCVEGCSA-N 1 2 240.278 1.198 20 0 BDADLO OCc1cc[nH+]c(N2CC[C@H]3C[C@H]3C2)c1 ZINC000641665236 362589833 /nfs/dbraw/zinc/58/98/33/362589833.db2.gz SQMZFRRMVDTHDE-QWRGUYRKSA-N 1 2 204.273 1.420 20 0 BDADLO FC(F)(F)CC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083446303 345506750 /nfs/dbraw/zinc/50/67/50/345506750.db2.gz YXICEROXQJQSOX-UHFFFAOYSA-N 1 2 248.252 1.937 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H](O)C2CC2)[nH+]1 ZINC000080979932 345457522 /nfs/dbraw/zinc/45/75/22/345457522.db2.gz ORRICFUUSYLULV-JTQLQIEISA-N 1 2 232.287 1.449 20 0 BDADLO CC(C)N(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000086370085 345537381 /nfs/dbraw/zinc/53/73/81/345537381.db2.gz YDWKZGDDDOTOSR-UHFFFAOYSA-N 1 2 238.335 1.713 20 0 BDADLO COC(=O)c1sccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000088521232 345541886 /nfs/dbraw/zinc/54/18/86/345541886.db2.gz APFZIVOZKBWNCP-SECBINFHSA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1sccc1C[N@H+]1CC[C@@H](O)C1 ZINC000088521232 345541888 /nfs/dbraw/zinc/54/18/88/345541888.db2.gz APFZIVOZKBWNCP-SECBINFHSA-N 1 2 241.312 1.101 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccc1F)c1cnn(C)c1 ZINC000090720490 345574357 /nfs/dbraw/zinc/57/43/57/345574357.db2.gz UCMNRZVDSSWTTL-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCC(C)(C)CC1 ZINC000091591033 345600216 /nfs/dbraw/zinc/60/02/16/345600216.db2.gz IWYFSTNNINYCOF-UHFFFAOYSA-N 1 2 238.335 1.499 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CCC(C)(C)CC1 ZINC000091591033 345600218 /nfs/dbraw/zinc/60/02/18/345600218.db2.gz IWYFSTNNINYCOF-UHFFFAOYSA-N 1 2 238.335 1.499 20 0 BDADLO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594433 345600324 /nfs/dbraw/zinc/60/03/24/345600324.db2.gz WYNOTLPZNIXQMF-NXEZZACHSA-N 1 2 238.335 1.499 20 0 BDADLO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594433 345600326 /nfs/dbraw/zinc/60/03/26/345600326.db2.gz WYNOTLPZNIXQMF-NXEZZACHSA-N 1 2 238.335 1.499 20 0 BDADLO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594428 345600437 /nfs/dbraw/zinc/60/04/37/345600437.db2.gz WYNOTLPZNIXQMF-ZJUUUORDSA-N 1 2 238.335 1.499 20 0 BDADLO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000091594428 345600439 /nfs/dbraw/zinc/60/04/39/345600439.db2.gz WYNOTLPZNIXQMF-ZJUUUORDSA-N 1 2 238.335 1.499 20 0 BDADLO CCOC(=O)CCSCc1ccc[nH+]c1N ZINC000603365174 349933710 /nfs/dbraw/zinc/93/37/10/349933710.db2.gz YKPLSZSJACVGIZ-UHFFFAOYSA-N 1 2 240.328 1.850 20 0 BDADLO COC(=O)[C@]1(F)CC[N@H+](Cc2cccn2C)C1 ZINC000093888234 345667439 /nfs/dbraw/zinc/66/74/39/345667439.db2.gz CBZNYIKOKVPJMA-LBPRGKRZSA-N 1 2 240.278 1.112 20 0 BDADLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cccn2C)C1 ZINC000093888234 345667440 /nfs/dbraw/zinc/66/74/40/345667440.db2.gz CBZNYIKOKVPJMA-LBPRGKRZSA-N 1 2 240.278 1.112 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000092977684 345650545 /nfs/dbraw/zinc/65/05/45/345650545.db2.gz AUGADOYQROMGBK-BXKDBHETSA-N 1 2 247.342 1.870 20 0 BDADLO OCc1cc[nH+]c(NCC2CC=CC2)c1 ZINC000641678219 362600000 /nfs/dbraw/zinc/60/00/00/362600000.db2.gz RUNZHEXWYQOIRF-UHFFFAOYSA-N 1 2 204.273 1.952 20 0 BDADLO CCC[C@@H](CCO)Nc1cc(CO)cc[nH+]1 ZINC000641680411 362601978 /nfs/dbraw/zinc/60/19/78/362601978.db2.gz RELYVMQLQGUPHM-NSHDSACASA-N 1 2 224.304 1.537 20 0 BDADLO O=C1C[N@H+](Cc2ccsc2)CCN1C1CC1 ZINC000093444850 345670419 /nfs/dbraw/zinc/67/04/19/345670419.db2.gz ZCYMRDONLUOSLT-UHFFFAOYSA-N 1 2 236.340 1.555 20 0 BDADLO O=C1C[N@@H+](Cc2ccsc2)CCN1C1CC1 ZINC000093444850 345670421 /nfs/dbraw/zinc/67/04/21/345670421.db2.gz ZCYMRDONLUOSLT-UHFFFAOYSA-N 1 2 236.340 1.555 20 0 BDADLO COc1cnn(Cc2ccc(C)[nH+]c2C)c1 ZINC000641729118 362651398 /nfs/dbraw/zinc/65/13/98/362651398.db2.gz RUSIVMHZVUKLFY-UHFFFAOYSA-N 1 2 217.272 1.952 20 0 BDADLO COC[C@H]([NH2+]Cc1ccncc1N)c1ccco1 ZINC000641732437 362652641 /nfs/dbraw/zinc/65/26/41/362652641.db2.gz UPRJFKDXKDGWDN-LBPRGKRZSA-N 1 2 247.298 1.734 20 0 BDADLO CC[C@H](C)Cn1cc[nH+]c1CN1CCOCC1 ZINC000641724069 362639084 /nfs/dbraw/zinc/63/90/84/362639084.db2.gz BKCJPHLVOLAAIT-LBPRGKRZSA-N 1 2 237.347 1.761 20 0 BDADLO CC[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000224985387 345750487 /nfs/dbraw/zinc/75/04/87/345750487.db2.gz MOYVAESRERMKDB-SNVBAGLBSA-N 1 2 209.293 1.436 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000147109484 345710635 /nfs/dbraw/zinc/71/06/35/345710635.db2.gz HGHUNVWPGSOEEV-UHFFFAOYSA-N 1 2 248.326 1.824 20 0 BDADLO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000210999230 345737269 /nfs/dbraw/zinc/73/72/69/345737269.db2.gz ZRWABJFFZOBGJF-NXEZZACHSA-N 1 2 229.320 1.343 20 0 BDADLO CCN(CC[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC000628210700 345821703 /nfs/dbraw/zinc/82/17/03/345821703.db2.gz GSBOZKJFQNEGBE-UHFFFAOYSA-N 1 2 237.347 1.865 20 0 BDADLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](C)O)o1 ZINC000248768472 178922575 /nfs/dbraw/zinc/92/25/75/178922575.db2.gz SEFZXDTZBFEIBS-GXSJLCMTSA-N 1 2 225.288 1.342 20 0 BDADLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](C)O)o1 ZINC000248768472 178922578 /nfs/dbraw/zinc/92/25/78/178922578.db2.gz SEFZXDTZBFEIBS-GXSJLCMTSA-N 1 2 225.288 1.342 20 0 BDADLO Cc1cn2ccc(C(=O)NCC[C@H](C)O)cc2[nH+]1 ZINC000635580420 345878022 /nfs/dbraw/zinc/87/80/22/345878022.db2.gz CRSSAXDGLYNKDZ-JTQLQIEISA-N 1 2 247.298 1.143 20 0 BDADLO CCC(C)(C)[C@@H](O)C(=O)NCc1[nH]c[nH+]c1C ZINC000635637131 345910884 /nfs/dbraw/zinc/91/08/84/345910884.db2.gz HMNAAVFHFUSNKM-JTQLQIEISA-N 1 2 239.319 1.131 20 0 BDADLO Cn1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635645905 345921968 /nfs/dbraw/zinc/92/19/68/345921968.db2.gz PSZQGQUWOFHLHA-GHMZBOCLSA-N 1 2 244.298 1.168 20 0 BDADLO Cn1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635645905 345921970 /nfs/dbraw/zinc/92/19/70/345921970.db2.gz PSZQGQUWOFHLHA-GHMZBOCLSA-N 1 2 244.298 1.168 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(F)(F)C1 ZINC000635771120 346060097 /nfs/dbraw/zinc/06/00/97/346060097.db2.gz IOQNFMUTIFEOFA-HTQZYQBOSA-N 1 2 241.241 1.381 20 0 BDADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(F)(F)C1 ZINC000635771120 346060099 /nfs/dbraw/zinc/06/00/99/346060099.db2.gz IOQNFMUTIFEOFA-HTQZYQBOSA-N 1 2 241.241 1.381 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@@H](C)c2cn[nH]c2)[nH+]1 ZINC000635738271 346046249 /nfs/dbraw/zinc/04/62/49/346046249.db2.gz NVEUGIYWNJYLCT-QMMMGPOBSA-N 1 2 247.302 1.115 20 0 BDADLO CC(C)=C(C)CC(=O)NCCc1c[nH+]cn1C ZINC000635789442 346070025 /nfs/dbraw/zinc/07/00/25/346070025.db2.gz LJSSGZJKOFBTHT-UHFFFAOYSA-N 1 2 235.331 1.825 20 0 BDADLO CC(C)=CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000191855977 346071310 /nfs/dbraw/zinc/07/13/10/346071310.db2.gz KQWDTEUCVLZNMT-LLVKDONJSA-N 1 2 233.315 1.528 20 0 BDADLO CC[C@@H](NC(=O)c1coc(CO)c1)c1[nH]cc[nH+]1 ZINC000635805999 346072947 /nfs/dbraw/zinc/07/29/47/346072947.db2.gz DKCCGCFCAPMKBT-SNVBAGLBSA-N 1 2 249.270 1.376 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C(C)C ZINC000381492572 346076869 /nfs/dbraw/zinc/07/68/69/346076869.db2.gz YSISBVZXYUJSKJ-HTQZYQBOSA-N 1 2 241.253 1.972 20 0 BDADLO CC[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOC1 ZINC000635847598 346089369 /nfs/dbraw/zinc/08/93/69/346089369.db2.gz AFJVNQWNVIELLA-GIPNMCIBSA-N 1 2 249.314 1.199 20 0 BDADLO CC[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOC1 ZINC000635847598 346089373 /nfs/dbraw/zinc/08/93/73/346089373.db2.gz AFJVNQWNVIELLA-GIPNMCIBSA-N 1 2 249.314 1.199 20 0 BDADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000169798191 346103455 /nfs/dbraw/zinc/10/34/55/346103455.db2.gz VHRRANQJSZNIJM-NSHDSACASA-N 1 2 242.282 1.023 20 0 BDADLO c1cc(NC[C@@H]2CC23CC3)nc(C2CC2)[nH+]1 ZINC000419001731 192096923 /nfs/dbraw/zinc/09/69/23/192096923.db2.gz ZATNMMKMRPOHGX-JTQLQIEISA-N 1 2 215.300 1.988 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635965857 346124934 /nfs/dbraw/zinc/12/49/34/346124934.db2.gz ORPNVBMAWDTLIQ-IWSPIJDZSA-N 1 2 225.267 1.378 20 0 BDADLO C[C@@H](F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635965857 346124937 /nfs/dbraw/zinc/12/49/37/346124937.db2.gz ORPNVBMAWDTLIQ-IWSPIJDZSA-N 1 2 225.267 1.378 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635965856 346124986 /nfs/dbraw/zinc/12/49/86/346124986.db2.gz ORPNVBMAWDTLIQ-DJLDLDEBSA-N 1 2 225.267 1.378 20 0 BDADLO C[C@H](F)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635965856 346124989 /nfs/dbraw/zinc/12/49/89/346124989.db2.gz ORPNVBMAWDTLIQ-DJLDLDEBSA-N 1 2 225.267 1.378 20 0 BDADLO CCc1c[nH]c(CC(=O)N2C[C@H](C)[C@H]2C)[nH+]1 ZINC000635965775 346125216 /nfs/dbraw/zinc/12/52/16/346125216.db2.gz LWSFIPIPOSZGJX-DTWKUNHWSA-N 1 2 221.304 1.381 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635966246 346125838 /nfs/dbraw/zinc/12/58/38/346125838.db2.gz RNFPHZDKQANWGI-RNFRBKRXSA-N 1 2 229.230 1.285 20 0 BDADLO CC(F)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635966246 346125841 /nfs/dbraw/zinc/12/58/41/346125841.db2.gz RNFPHZDKQANWGI-RNFRBKRXSA-N 1 2 229.230 1.285 20 0 BDADLO O=C(NCCCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635959524 346132993 /nfs/dbraw/zinc/13/29/93/346132993.db2.gz AGJDOKITBLCKIK-RKDXNWHRSA-N 1 2 225.267 1.379 20 0 BDADLO O=C(NCCCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635959524 346132996 /nfs/dbraw/zinc/13/29/96/346132996.db2.gz AGJDOKITBLCKIK-RKDXNWHRSA-N 1 2 225.267 1.379 20 0 BDADLO CCc1cc(NC[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000603384466 349941867 /nfs/dbraw/zinc/94/18/67/349941867.db2.gz HFHMWEFCCYUEBE-NSHDSACASA-N 1 2 245.330 1.406 20 0 BDADLO C[C@H](CC(=O)NC1(CF)CCC1)n1cc[nH+]c1 ZINC000563284931 323108500 /nfs/dbraw/zinc/10/85/00/323108500.db2.gz FCAPCHCJZKOYSE-SNVBAGLBSA-N 1 2 239.294 1.843 20 0 BDADLO COC[C@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628244495 346206935 /nfs/dbraw/zinc/20/69/35/346206935.db2.gz JLHFCMMZBIOSKO-BXKDBHETSA-N 1 2 240.303 1.219 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H](C)O1 ZINC000628244495 346206939 /nfs/dbraw/zinc/20/69/39/346206939.db2.gz JLHFCMMZBIOSKO-BXKDBHETSA-N 1 2 240.303 1.219 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)[nH]c1C ZINC000628243981 346208329 /nfs/dbraw/zinc/20/83/29/346208329.db2.gz ONRFSNRDNJSCBA-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)[nH]c1C ZINC000628243981 346208330 /nfs/dbraw/zinc/20/83/30/346208330.db2.gz ONRFSNRDNJSCBA-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]c(CN2CC[C@@H](O)C(C)(C)C2)[nH+]c1C ZINC000628243981 346208331 /nfs/dbraw/zinc/20/83/31/346208331.db2.gz ONRFSNRDNJSCBA-LLVKDONJSA-N 1 2 237.347 1.619 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C(C)C)C2)[nH+]c1C ZINC000628234765 346188591 /nfs/dbraw/zinc/18/85/91/346188591.db2.gz MKVZMXHLDNWQOC-GFCCVEGCSA-N 1 2 237.347 1.883 20 0 BDADLO CCCCC[N@H+](CC(N)=O)Cc1cnc(C)o1 ZINC000628235988 346189706 /nfs/dbraw/zinc/18/97/06/346189706.db2.gz LIKQTCMFBIAFED-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO CCCCC[N@@H+](CC(N)=O)Cc1cnc(C)o1 ZINC000628235988 346189707 /nfs/dbraw/zinc/18/97/07/346189707.db2.gz LIKQTCMFBIAFED-UHFFFAOYSA-N 1 2 239.319 1.461 20 0 BDADLO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000245841656 537957693 /nfs/dbraw/zinc/95/76/93/537957693.db2.gz JWNODXHTEZGPDL-MNOVXSKESA-N 1 2 237.347 1.592 20 0 BDADLO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000245841656 537957697 /nfs/dbraw/zinc/95/76/97/537957697.db2.gz JWNODXHTEZGPDL-MNOVXSKESA-N 1 2 237.347 1.592 20 0 BDADLO CCCCO[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000151688205 346238455 /nfs/dbraw/zinc/23/84/55/346238455.db2.gz ITBVSEYZBKGSGE-SECBINFHSA-N 1 2 237.303 1.808 20 0 BDADLO Cc1c[nH]c(CN(CCO)Cc2ccc(C)o2)[nH+]1 ZINC000628256788 346255880 /nfs/dbraw/zinc/25/58/80/346255880.db2.gz MCGQABAFQHDCIJ-UHFFFAOYSA-N 1 2 249.314 1.614 20 0 BDADLO CCCCn1nnnc1C[N@H+](C)CCSC ZINC000570021446 346263861 /nfs/dbraw/zinc/26/38/61/346263861.db2.gz VPOQNXIICYXDGE-UHFFFAOYSA-N 1 2 243.380 1.268 20 0 BDADLO CCCCn1nnnc1C[N@@H+](C)CCSC ZINC000570021446 346263862 /nfs/dbraw/zinc/26/38/62/346263862.db2.gz VPOQNXIICYXDGE-UHFFFAOYSA-N 1 2 243.380 1.268 20 0 BDADLO CCN(c1cc[nH+]cc1)S(=O)(=O)C1CC1 ZINC000152634715 346264352 /nfs/dbraw/zinc/26/43/52/346264352.db2.gz JLOIRGHCLGPQKI-UHFFFAOYSA-N 1 2 226.301 1.400 20 0 BDADLO COC(=O)C1CC[NH+](Cc2ccon2)CC1 ZINC000077247146 537963600 /nfs/dbraw/zinc/96/36/00/537963600.db2.gz ISHPMOWBKXSLCZ-UHFFFAOYSA-N 1 2 224.260 1.060 20 0 BDADLO CC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000631486998 346283308 /nfs/dbraw/zinc/28/33/08/346283308.db2.gz YWTWUFZJBNKKBS-GFCCVEGCSA-N 1 2 206.289 1.823 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000628280783 346292975 /nfs/dbraw/zinc/29/29/75/346292975.db2.gz HQOCZMZTKKXILM-SECBINFHSA-N 1 2 249.314 1.262 20 0 BDADLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000628280783 346292977 /nfs/dbraw/zinc/29/29/77/346292977.db2.gz HQOCZMZTKKXILM-SECBINFHSA-N 1 2 249.314 1.262 20 0 BDADLO Cc1cccc(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000175069201 179031710 /nfs/dbraw/zinc/03/17/10/179031710.db2.gz QRMRYSWBZPCLSE-UHFFFAOYSA-N 1 2 243.310 1.930 20 0 BDADLO Cc1cc(CNC(=O)[C@H]2C[C@@H](O)C2)cc(C)[nH+]1 ZINC000636050758 346300280 /nfs/dbraw/zinc/30/02/80/346300280.db2.gz FOPIGLZLHBQPAQ-TXEJJXNPSA-N 1 2 234.299 1.086 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636056632 346303661 /nfs/dbraw/zinc/30/36/61/346303661.db2.gz RUWLCRRLOCKEJU-MRTMQBJTSA-N 1 2 217.272 1.182 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636056632 346303663 /nfs/dbraw/zinc/30/36/63/346303663.db2.gz RUWLCRRLOCKEJU-MRTMQBJTSA-N 1 2 217.272 1.182 20 0 BDADLO CCn1ccc(C[NH2+]Cc2ccncc2N)n1 ZINC000641763010 362694438 /nfs/dbraw/zinc/69/44/38/362694438.db2.gz QGMLBTKMKUOYOV-UHFFFAOYSA-N 1 2 231.303 1.170 20 0 BDADLO CCc1nocc1CNc1cc(CO)cc[nH+]1 ZINC000641762979 362693740 /nfs/dbraw/zinc/69/37/40/362693740.db2.gz WEZWWTAUEYGIOV-UHFFFAOYSA-N 1 2 233.271 1.736 20 0 BDADLO O=c1[nH]c2ccc(C[NH2+]CC(F)F)cc2[nH]1 ZINC000641755224 362683977 /nfs/dbraw/zinc/68/39/77/362683977.db2.gz UVHZYWCJAMMJHM-UHFFFAOYSA-N 1 2 227.214 1.623 20 0 BDADLO C[C@@H]([NH2+]Cc1ccncc1N)c1ccn(C)n1 ZINC000641761279 362684593 /nfs/dbraw/zinc/68/45/93/362684593.db2.gz QWMFFVPUFVNFNL-SECBINFHSA-N 1 2 231.303 1.248 20 0 BDADLO Cc1nocc1CNc1cc(CO)cc[nH+]1 ZINC000641761985 362684735 /nfs/dbraw/zinc/68/47/35/362684735.db2.gz AOJKPRHZBYRERN-UHFFFAOYSA-N 1 2 219.244 1.482 20 0 BDADLO O=C(NC1(C2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636124259 346325575 /nfs/dbraw/zinc/32/55/75/346325575.db2.gz WTSQJXVIAGVMKJ-GHMZBOCLSA-N 1 2 245.326 1.962 20 0 BDADLO O=C(NC1(C2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636124259 346325577 /nfs/dbraw/zinc/32/55/77/346325577.db2.gz WTSQJXVIAGVMKJ-GHMZBOCLSA-N 1 2 245.326 1.962 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000155755869 346353427 /nfs/dbraw/zinc/35/34/27/346353427.db2.gz TXRWHVRRYRHWBV-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155755869 346353432 /nfs/dbraw/zinc/35/34/32/346353432.db2.gz TXRWHVRRYRHWBV-LBPRGKRZSA-N 1 2 249.358 1.674 20 0 BDADLO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1noc(C)n1 ZINC000570607437 346356898 /nfs/dbraw/zinc/35/68/98/346356898.db2.gz UEPWONVSJVJELX-MIMYLULJSA-N 1 2 239.319 1.986 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H]1CCC[C@H]1O ZINC000160246470 346358858 /nfs/dbraw/zinc/35/88/58/346358858.db2.gz JHMDBVHAUUMUPL-VHSXEESVSA-N 1 2 222.288 1.663 20 0 BDADLO CCc1c[nH]c(CC(=O)N[C@H]2CCCC23CC3)[nH+]1 ZINC000636302801 346384921 /nfs/dbraw/zinc/38/49/21/346384921.db2.gz KMUFMNAHORCSJL-NSHDSACASA-N 1 2 247.342 1.964 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CC(F)(F)C1 ZINC000380165000 346385782 /nfs/dbraw/zinc/38/57/82/346385782.db2.gz FFTLNARXNZOSJK-UHFFFAOYSA-N 1 2 229.230 1.380 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000380320604 346397427 /nfs/dbraw/zinc/39/74/27/346397427.db2.gz KJLUDGVRBXOOSN-QWRGUYRKSA-N 1 2 203.289 1.665 20 0 BDADLO Cc1cccc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000353766359 179068977 /nfs/dbraw/zinc/06/89/77/179068977.db2.gz GVQBTUWIAZYIFS-UHFFFAOYSA-N 1 2 216.288 1.745 20 0 BDADLO CCc1c[nH]c(CC(=O)NCc2ccc(C)o2)[nH+]1 ZINC000636329064 346398713 /nfs/dbraw/zinc/39/87/13/346398713.db2.gz RJWXHRPQZBSVIU-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ncnn2C)o1 ZINC000173871009 346403572 /nfs/dbraw/zinc/40/35/72/346403572.db2.gz CQBQJZBXNYCSEF-ONGXEEELSA-N 1 2 246.314 1.821 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)C(F)F ZINC000641792484 362727463 /nfs/dbraw/zinc/72/74/63/362727463.db2.gz WIMRGYGSKSSQRQ-JGVFFNPUSA-N 1 2 215.247 1.961 20 0 BDADLO COCCCN(C)c1nc(C)[nH+]cc1C ZINC000584321789 346418397 /nfs/dbraw/zinc/41/83/97/346418397.db2.gz MGRYQEKPICLKMP-UHFFFAOYSA-N 1 2 209.293 1.566 20 0 BDADLO C[C@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332702907 346423540 /nfs/dbraw/zinc/42/35/40/346423540.db2.gz UDQNHQYQQGCMHO-QWRGUYRKSA-N 1 2 248.330 1.249 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679220678 488319243 /nfs/dbraw/zinc/31/92/43/488319243.db2.gz JCSJRAGACYCCSL-QWRGUYRKSA-N 1 2 230.327 1.439 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679220678 488319249 /nfs/dbraw/zinc/31/92/49/488319249.db2.gz JCSJRAGACYCCSL-QWRGUYRKSA-N 1 2 230.327 1.439 20 0 BDADLO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)C(F)F ZINC000641791752 362731741 /nfs/dbraw/zinc/73/17/41/362731741.db2.gz MSJLKSIZLRXLRE-SFYZADRCSA-N 1 2 205.248 1.941 20 0 BDADLO C[C@H](N[C@H]1CCCn2cc[nH+]c21)C(F)F ZINC000641791873 362733366 /nfs/dbraw/zinc/73/33/66/362733366.db2.gz OJNILZPQULIYPC-YUMQZZPRSA-N 1 2 215.247 1.961 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1OC2CCC1CC2 ZINC000636405012 346478983 /nfs/dbraw/zinc/47/89/83/346478983.db2.gz KKDZVOVQXXYCQM-UHFFFAOYSA-N 1 2 235.287 1.346 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1OC2CCC1CC2 ZINC000636405419 346480327 /nfs/dbraw/zinc/48/03/27/346480327.db2.gz AXUJJNHRULFTAF-UHFFFAOYSA-N 1 2 235.287 1.427 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1OC2CCC1CC2 ZINC000636405419 346480329 /nfs/dbraw/zinc/48/03/29/346480329.db2.gz AXUJJNHRULFTAF-UHFFFAOYSA-N 1 2 235.287 1.427 20 0 BDADLO O=C(CCCn1cc[nH+]c1)N1OC2CCC1CC2 ZINC000636407148 346482219 /nfs/dbraw/zinc/48/22/19/346482219.db2.gz UWYOGHWEVVAEGP-UHFFFAOYSA-N 1 2 249.314 1.748 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CCO1 ZINC000580063742 346503264 /nfs/dbraw/zinc/50/32/64/346503264.db2.gz JGKZUSGDWXEZIU-BDAKNGLRSA-N 1 2 235.287 1.248 20 0 BDADLO CCCC[C@@H]([NH2+]CCn1cccn1)C(=O)OC ZINC000105931606 346564250 /nfs/dbraw/zinc/56/42/50/346564250.db2.gz ATEVSMCJCBFPHD-LLVKDONJSA-N 1 2 239.319 1.205 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCc1cccc(F)c1 ZINC000186889528 346543160 /nfs/dbraw/zinc/54/31/60/346543160.db2.gz IOGLWXHONSDYFL-UHFFFAOYSA-N 1 2 247.273 1.418 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1CCOC1 ZINC000176799788 346553721 /nfs/dbraw/zinc/55/37/21/346553721.db2.gz QCVOQAJWCXYWHO-JTQLQIEISA-N 1 2 249.314 1.147 20 0 BDADLO COC1CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000577136573 365833637 /nfs/dbraw/zinc/83/36/37/365833637.db2.gz BXQCPUMLPAASLN-UHFFFAOYSA-N 1 2 238.287 1.488 20 0 BDADLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccoc1 ZINC000187729069 346603865 /nfs/dbraw/zinc/60/38/65/346603865.db2.gz WOWUXDDGLJKCBJ-QMMMGPOBSA-N 1 2 234.255 1.822 20 0 BDADLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccoc1 ZINC000187729083 346603917 /nfs/dbraw/zinc/60/39/17/346603917.db2.gz WOWUXDDGLJKCBJ-MRVPVSSYSA-N 1 2 234.255 1.822 20 0 BDADLO COC(=O)[C@H]([NH2+]CCOC1CCC1)C(C)C ZINC000390541618 259393061 /nfs/dbraw/zinc/39/30/61/259393061.db2.gz LQQDAZZCODNAFG-LLVKDONJSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1cccc(NCCc2nc[nH]n2)[nH+]1 ZINC000070646470 179146817 /nfs/dbraw/zinc/14/68/17/179146817.db2.gz DFCKHVVYAVTECP-UHFFFAOYSA-N 1 2 203.249 1.163 20 0 BDADLO C[C@@H]1C[N@H+](CCOCC2CCC2)CC[S@@]1=O ZINC000419207542 192104420 /nfs/dbraw/zinc/10/44/20/192104420.db2.gz PDINLHOYDAGVOE-BZNIZROVSA-N 1 2 245.388 1.256 20 0 BDADLO C[C@@H]1C[N@@H+](CCOCC2CCC2)CC[S@@]1=O ZINC000419207542 192104422 /nfs/dbraw/zinc/10/44/22/192104422.db2.gz PDINLHOYDAGVOE-BZNIZROVSA-N 1 2 245.388 1.256 20 0 BDADLO COc1ccc[nH+]c1N1C[C@@H](O)C(C)(C)C1 ZINC000387879266 347116600 /nfs/dbraw/zinc/11/66/00/347116600.db2.gz CUMYJKLKDZFAOS-SNVBAGLBSA-N 1 2 222.288 1.297 20 0 BDADLO Cc1c[nH]c(CN(C)Cc2nncn2C(C)C)[nH+]1 ZINC000628292924 347119198 /nfs/dbraw/zinc/11/91/98/347119198.db2.gz BSBSZKNXNPSYJD-UHFFFAOYSA-N 1 2 248.334 1.523 20 0 BDADLO O=C([C@H]1C[C@@H]1C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000627372164 347165755 /nfs/dbraw/zinc/16/57/55/347165755.db2.gz DZTBUQGEBBGPBS-ZJUUUORDSA-N 1 2 231.299 1.341 20 0 BDADLO O=C([C@H]1C[C@@H]1C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000627372164 347165759 /nfs/dbraw/zinc/16/57/59/347165759.db2.gz DZTBUQGEBBGPBS-ZJUUUORDSA-N 1 2 231.299 1.341 20 0 BDADLO CCOC(=O)C(CC)(CC)[NH2+]C[C@H](O)CC ZINC000309988115 347212379 /nfs/dbraw/zinc/21/23/79/347212379.db2.gz ZISZXYYVXAAQAP-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO CCC[C@@H](OC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627372767 347252225 /nfs/dbraw/zinc/25/22/25/347252225.db2.gz WMZBZVDTCNALBQ-LLVKDONJSA-N 1 2 237.303 1.110 20 0 BDADLO CCC[C@@H](OC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627372767 347252226 /nfs/dbraw/zinc/25/22/26/347252226.db2.gz WMZBZVDTCNALBQ-LLVKDONJSA-N 1 2 237.303 1.110 20 0 BDADLO CC[C@H]([NH2+]CCOCC1CCC1)C(=O)OC ZINC000310020664 347219234 /nfs/dbraw/zinc/21/92/34/347219234.db2.gz NDTNJNRNOQTDJX-NSHDSACASA-N 1 2 229.320 1.344 20 0 BDADLO FC(F)(F)[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000684620045 488334157 /nfs/dbraw/zinc/33/41/57/488334157.db2.gz ZURBQXOPOSAHQZ-QMMMGPOBSA-N 1 2 235.209 1.173 20 0 BDADLO FC(F)(F)[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000684620045 488334160 /nfs/dbraw/zinc/33/41/60/488334160.db2.gz ZURBQXOPOSAHQZ-QMMMGPOBSA-N 1 2 235.209 1.173 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC=CCC2)o1 ZINC000679323398 488337399 /nfs/dbraw/zinc/33/73/99/488337399.db2.gz OQZLSGKOIKNYSD-UHFFFAOYSA-N 1 2 207.277 1.955 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC=CCC2)o1 ZINC000679323398 488337401 /nfs/dbraw/zinc/33/74/01/488337401.db2.gz OQZLSGKOIKNYSD-UHFFFAOYSA-N 1 2 207.277 1.955 20 0 BDADLO Cc1c[nH]c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)[nH+]1 ZINC000628296828 347243401 /nfs/dbraw/zinc/24/34/01/347243401.db2.gz AHELPYPISDQXBN-KBPBESRZSA-N 1 2 247.342 1.862 20 0 BDADLO Cc1c[nH]c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)[nH+]1 ZINC000628296830 347243485 /nfs/dbraw/zinc/24/34/85/347243485.db2.gz AHELPYPISDQXBN-UONOGXRCSA-N 1 2 247.342 1.862 20 0 BDADLO COC(=O)c1n[nH]c2c1C[N@H+](CC1(C)CC1)CC2 ZINC000582102904 347244439 /nfs/dbraw/zinc/24/44/39/347244439.db2.gz YTQGBBRYBWWNDV-UHFFFAOYSA-N 1 2 249.314 1.355 20 0 BDADLO COC(=O)c1n[nH]c2c1C[N@@H+](CC1(C)CC1)CC2 ZINC000582102904 347244442 /nfs/dbraw/zinc/24/44/42/347244442.db2.gz YTQGBBRYBWWNDV-UHFFFAOYSA-N 1 2 249.314 1.355 20 0 BDADLO FCC1([NH2+]Cc2csnn2)CCC1 ZINC000571325938 323141419 /nfs/dbraw/zinc/14/14/19/323141419.db2.gz DVRSDINCCSXLGW-UHFFFAOYSA-N 1 2 201.270 1.520 20 0 BDADLO CC[N@@H+](Cc1cc[nH]n1)C[C@@H](O)C(F)(F)F ZINC000189874999 347312628 /nfs/dbraw/zinc/31/26/28/347312628.db2.gz RVERPLHEARWZCE-MRVPVSSYSA-N 1 2 237.225 1.155 20 0 BDADLO CC[N@H+](Cc1cc[nH]n1)C[C@@H](O)C(F)(F)F ZINC000189874999 347312630 /nfs/dbraw/zinc/31/26/30/347312630.db2.gz RVERPLHEARWZCE-MRVPVSSYSA-N 1 2 237.225 1.155 20 0 BDADLO CN(C(=O)CCCn1cc[nH+]c1)c1ccccn1 ZINC000605620320 347405856 /nfs/dbraw/zinc/40/58/56/347405856.db2.gz XXVWVMWGHHVCAA-UHFFFAOYSA-N 1 2 244.298 1.721 20 0 BDADLO CC(C)(F)CCNC(=O)CCn1cc[nH+]c1 ZINC000618408729 347407385 /nfs/dbraw/zinc/40/73/85/347407385.db2.gz UFPQLKYKKZNSNF-UHFFFAOYSA-N 1 2 227.283 1.528 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C)CC1(F)F ZINC000616920974 347450421 /nfs/dbraw/zinc/45/04/21/347450421.db2.gz AHTIKDPSIIETBX-SECBINFHSA-N 1 2 229.230 1.413 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)CC1(F)F ZINC000616920974 347450423 /nfs/dbraw/zinc/45/04/23/347450423.db2.gz AHTIKDPSIIETBX-SECBINFHSA-N 1 2 229.230 1.413 20 0 BDADLO COCC1(CC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616921549 347451166 /nfs/dbraw/zinc/45/11/66/347451166.db2.gz VIGYXTBGHYPHPK-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO COCC1(CC(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616921549 347451169 /nfs/dbraw/zinc/45/11/69/347451169.db2.gz VIGYXTBGHYPHPK-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCc1ncncc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923362 347454047 /nfs/dbraw/zinc/45/40/47/347454047.db2.gz DQCQHLOLJZCQNZ-UHFFFAOYSA-N 1 2 245.286 1.034 20 0 BDADLO CCc1ncncc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923362 347454050 /nfs/dbraw/zinc/45/40/50/347454050.db2.gz DQCQHLOLJZCQNZ-UHFFFAOYSA-N 1 2 245.286 1.034 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc(C2CC2)on1 ZINC000616923904 347454642 /nfs/dbraw/zinc/45/46/42/347454642.db2.gz ZGMHBZSWHXDIMK-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc(C2CC2)on1 ZINC000616923904 347454645 /nfs/dbraw/zinc/45/46/45/347454645.db2.gz ZGMHBZSWHXDIMK-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C)CC(C)(C)O1 ZINC000195515280 347455510 /nfs/dbraw/zinc/45/55/10/347455510.db2.gz RLWKZBOLRUWKEK-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@H+](Cc2nccn2C)CC(C)(C)O1 ZINC000195515280 347455512 /nfs/dbraw/zinc/45/55/12/347455512.db2.gz RLWKZBOLRUWKEK-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2nccn2C)CC(C)(C)O1 ZINC000195515280 347455514 /nfs/dbraw/zinc/45/55/14/347455514.db2.gz RLWKZBOLRUWKEK-SNVBAGLBSA-N 1 2 223.320 1.419 20 0 BDADLO CN(Cc1cn(C)c[nH+]1)Cc1ccccn1 ZINC000684837617 488348447 /nfs/dbraw/zinc/34/84/47/488348447.db2.gz PLCBJJFHRYLNRO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cnc(C[N@H+](C)Cc2ccccn2)c1 ZINC000684837617 488348448 /nfs/dbraw/zinc/34/84/48/488348448.db2.gz PLCBJJFHRYLNRO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO Cn1cnc(C[N@@H+](C)Cc2ccccn2)c1 ZINC000684837617 488348449 /nfs/dbraw/zinc/34/84/49/488348449.db2.gz PLCBJJFHRYLNRO-UHFFFAOYSA-N 1 2 216.288 1.447 20 0 BDADLO CCc1nc(C[N@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000382793165 347418482 /nfs/dbraw/zinc/41/84/82/347418482.db2.gz HVOSCIABYIOCFJ-QMMMGPOBSA-N 1 2 227.308 1.223 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@@H](C)C(C)(C)O)no1 ZINC000382793165 347418485 /nfs/dbraw/zinc/41/84/85/347418485.db2.gz HVOSCIABYIOCFJ-QMMMGPOBSA-N 1 2 227.308 1.223 20 0 BDADLO Cc1nc(C)c(C(=O)N(C)Cc2c[nH+]c[nH]2)o1 ZINC000616925368 347456408 /nfs/dbraw/zinc/45/64/08/347456408.db2.gz FQGDPDRYDAEYLT-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO Cc1nc(C)c(C(=O)N(C)Cc2c[nH]c[nH+]2)o1 ZINC000616925368 347456411 /nfs/dbraw/zinc/45/64/11/347456411.db2.gz FQGDPDRYDAEYLT-UHFFFAOYSA-N 1 2 234.259 1.287 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC(F)(F)F ZINC000616925454 347457196 /nfs/dbraw/zinc/45/71/96/347457196.db2.gz IDWMETVDNPEHSS-UHFFFAOYSA-N 1 2 235.209 1.711 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC(F)(F)F ZINC000616925454 347457198 /nfs/dbraw/zinc/45/71/98/347457198.db2.gz IDWMETVDNPEHSS-UHFFFAOYSA-N 1 2 235.209 1.711 20 0 BDADLO Cc1nc(NC[C@H](C)CC(F)(F)F)nc(N)[nH+]1 ZINC000396937864 362842473 /nfs/dbraw/zinc/84/24/73/362842473.db2.gz HGJSKRPRQODZLL-RXMQYKEDSA-N 1 2 249.240 1.015 20 0 BDADLO Cc1nc(N)nc(NC[C@H](C)CC(F)(F)F)[nH+]1 ZINC000396937864 362842475 /nfs/dbraw/zinc/84/24/75/362842475.db2.gz HGJSKRPRQODZLL-RXMQYKEDSA-N 1 2 249.240 1.015 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC1(F)F ZINC000616928534 347494746 /nfs/dbraw/zinc/49/47/46/347494746.db2.gz DMPFGUGAWSKVQI-ZETCQYMHSA-N 1 2 215.203 1.023 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC1(F)F ZINC000616928534 347494747 /nfs/dbraw/zinc/49/47/47/347494747.db2.gz DMPFGUGAWSKVQI-ZETCQYMHSA-N 1 2 215.203 1.023 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)Cc1ncccc1F ZINC000616928518 347494793 /nfs/dbraw/zinc/49/47/93/347494793.db2.gz CVAMMEGRQMLBRI-UHFFFAOYSA-N 1 2 248.261 1.145 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)Cc1ncccc1F ZINC000616928518 347494795 /nfs/dbraw/zinc/49/47/95/347494795.db2.gz CVAMMEGRQMLBRI-UHFFFAOYSA-N 1 2 248.261 1.145 20 0 BDADLO CO[C@@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725815 347495885 /nfs/dbraw/zinc/49/58/85/347495885.db2.gz WWZFTLWRSMVCBY-WDEREUQCSA-N 1 2 237.303 1.082 20 0 BDADLO CCOCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616929094 347496553 /nfs/dbraw/zinc/49/65/53/347496553.db2.gz SYZJVBWJZRASKT-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO CCOCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616929094 347496556 /nfs/dbraw/zinc/49/65/56/347496556.db2.gz SYZJVBWJZRASKT-UHFFFAOYSA-N 1 2 237.303 1.185 20 0 BDADLO Cc1cc(=O)[nH]c(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000616929140 347496566 /nfs/dbraw/zinc/49/65/66/347496566.db2.gz VALDBOQJKHFXFB-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO Cc1cc(=O)[nH]c(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000616929140 347496569 /nfs/dbraw/zinc/49/65/69/347496569.db2.gz VALDBOQJKHFXFB-UHFFFAOYSA-N 1 2 246.270 1.091 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC12CCC2 ZINC000616926511 347458352 /nfs/dbraw/zinc/45/83/52/347458352.db2.gz FWVGQPSZISDTEY-JTQLQIEISA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC12CCC2 ZINC000616926511 347458356 /nfs/dbraw/zinc/45/83/56/347458356.db2.gz FWVGQPSZISDTEY-JTQLQIEISA-N 1 2 219.288 1.558 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1=CCCC1 ZINC000616926814 347459358 /nfs/dbraw/zinc/45/93/58/347459358.db2.gz QUWCMBYINRMBRN-UHFFFAOYSA-N 1 2 205.261 1.478 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1=CCCC1 ZINC000616926814 347459361 /nfs/dbraw/zinc/45/93/61/347459361.db2.gz QUWCMBYINRMBRN-UHFFFAOYSA-N 1 2 205.261 1.478 20 0 BDADLO CC[C@@H](C)OCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926992 347459484 /nfs/dbraw/zinc/45/94/84/347459484.db2.gz XVAGGLOOYRXPJI-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CC[C@@H](C)OCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926992 347459486 /nfs/dbraw/zinc/45/94/86/347459486.db2.gz XVAGGLOOYRXPJI-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CC1(C)CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1 ZINC000580687066 365879708 /nfs/dbraw/zinc/87/97/08/365879708.db2.gz NERFGECFKMOJGA-NSHDSACASA-N 1 2 249.314 1.224 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCC[C@H](C)O)C(C)(C)C ZINC000590706182 347498066 /nfs/dbraw/zinc/49/80/66/347498066.db2.gz MXNYBLYWNBDFLU-VHSXEESVSA-N 1 2 231.336 1.325 20 0 BDADLO CCC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000590845141 347573250 /nfs/dbraw/zinc/57/32/50/347573250.db2.gz ZJFXHVQJOURKGX-VIFPVBQESA-N 1 2 224.308 1.408 20 0 BDADLO CCCN(CCC)C(=O)CCn1cc[nH+]c1 ZINC000197447799 347575179 /nfs/dbraw/zinc/57/51/79/347575179.db2.gz XTLPQIANLMELOH-UHFFFAOYSA-N 1 2 223.320 1.922 20 0 BDADLO CC(C)Cn1ncnc1COc1cc[nH+]cc1 ZINC000577257390 365903393 /nfs/dbraw/zinc/90/33/93/365903393.db2.gz MBOSETIJQXLSAR-UHFFFAOYSA-N 1 2 232.287 1.908 20 0 BDADLO C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000591174123 347628308 /nfs/dbraw/zinc/62/83/08/347628308.db2.gz ITMMFKMRBGYKNX-NSHDSACASA-N 1 2 221.304 1.532 20 0 BDADLO O=C(c1cocn1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000591201684 347629916 /nfs/dbraw/zinc/62/99/16/347629916.db2.gz QKDCMDVTFQKKRI-VIFPVBQESA-N 1 2 246.270 1.418 20 0 BDADLO CC[C@H](C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000591376539 347650113 /nfs/dbraw/zinc/65/01/13/347650113.db2.gz IOVDSLLWKVKOSL-ZJUUUORDSA-N 1 2 231.336 1.589 20 0 BDADLO CC[C@@H](C[NH2+][C@@H](C(=O)OC)C(C)(C)C)OC ZINC000591376537 347650254 /nfs/dbraw/zinc/65/02/54/347650254.db2.gz IOVDSLLWKVKOSL-UWVGGRQHSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2COC(C)(C)C2)c[nH+]1 ZINC000617055114 347675853 /nfs/dbraw/zinc/67/58/53/347675853.db2.gz PYUZUSJQKMTUGG-QMMMGPOBSA-N 1 2 223.276 1.015 20 0 BDADLO CC(C)OC(=O)[C@@H]([NH2+][C@H]1CO[C@H](C)C1)C(C)C ZINC000592368465 347770460 /nfs/dbraw/zinc/77/04/60/347770460.db2.gz OYTRMSXJMNLDTK-UTUOFQBUSA-N 1 2 243.347 1.730 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000493352311 347739257 /nfs/dbraw/zinc/73/92/57/347739257.db2.gz MQSHRNSJKUZNLC-RUULKOMLSA-N 1 2 231.299 1.728 20 0 BDADLO CCc1cc(NC[C@H](C)Cn2cccn2)nc[nH+]1 ZINC000592456094 347783382 /nfs/dbraw/zinc/78/33/82/347783382.db2.gz AMHGGFQCTSIXRQ-NSHDSACASA-N 1 2 245.330 1.406 20 0 BDADLO CCOC1CC[NH+](Cc2nc(CC)no2)CC1 ZINC000618443365 347792825 /nfs/dbraw/zinc/79/28/25/347792825.db2.gz CTMDKSYMVULGGA-UHFFFAOYSA-N 1 2 239.319 1.633 20 0 BDADLO CC[C@H](C)C[C@@H]([NH2+][C@@H](C)COC)C(=O)OC ZINC000592517544 347793104 /nfs/dbraw/zinc/79/31/04/347793104.db2.gz RERVCNWKDJUTPB-GARJFASQSA-N 1 2 231.336 1.589 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000592515069 347793149 /nfs/dbraw/zinc/79/31/49/347793149.db2.gz NDDLPYBGUGHYPL-KXUCPTDWSA-N 1 2 215.293 1.094 20 0 BDADLO CCc1c(C(=O)Nc2cc[nH+]cc2C)cnn1C ZINC000593275465 347877027 /nfs/dbraw/zinc/87/70/27/347877027.db2.gz JDVIEUOPHAYPPZ-UHFFFAOYSA-N 1 2 244.298 1.360 20 0 BDADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000194426247 179321291 /nfs/dbraw/zinc/32/12/91/179321291.db2.gz IADIRRIZYKSJDQ-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO O=C1[C@@H]([N@@H+]2CC=CCC2)CCN1CC(F)(F)F ZINC000679322393 490112859 /nfs/dbraw/zinc/11/28/59/490112859.db2.gz HXWVACAZJVATDO-VIFPVBQESA-N 1 2 248.248 1.412 20 0 BDADLO CC(C)c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000201873615 347940413 /nfs/dbraw/zinc/94/04/13/347940413.db2.gz XRVXVBGKSZGMCG-UHFFFAOYSA-N 1 2 247.342 1.593 20 0 BDADLO CC(C)(NC(=O)CC1(O)CCC1)c1[nH]cc[nH+]1 ZINC000577381089 365939008 /nfs/dbraw/zinc/93/90/08/365939008.db2.gz RAAGOFXDYUTRNR-UHFFFAOYSA-N 1 2 237.303 1.066 20 0 BDADLO CC[C@H]([NH2+]CC(=O)OC)[C@H]1CCCCO1 ZINC000594044926 347987728 /nfs/dbraw/zinc/98/77/28/347987728.db2.gz VDRVVOOHHOOYJK-VHSXEESVSA-N 1 2 215.293 1.097 20 0 BDADLO Cc1ccccc1[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000194426257 179338687 /nfs/dbraw/zinc/33/86/87/179338687.db2.gz IADIRRIZYKSJDQ-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H](SC)C1 ZINC000594581150 348076400 /nfs/dbraw/zinc/07/64/00/348076400.db2.gz WZPOEWQGORGIIW-SECBINFHSA-N 1 2 239.344 1.735 20 0 BDADLO Cc1cccn2cc(CS(C)(=O)=O)[nH+]c12 ZINC000046183541 179355834 /nfs/dbraw/zinc/35/58/34/179355834.db2.gz YPLXUHJGFQUCOE-UHFFFAOYSA-N 1 2 224.285 1.187 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@H](C)c1ccccn1)C1CC1 ZINC000594712969 348104836 /nfs/dbraw/zinc/10/48/36/348104836.db2.gz XLGNLHSAWGYOLB-GXFFZTMASA-N 1 2 248.326 1.726 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000594725435 348108505 /nfs/dbraw/zinc/10/85/05/348108505.db2.gz KQGDNTZNQKRDGH-WPRPVWTQSA-N 1 2 233.258 1.573 20 0 BDADLO Cc1cccn2cc(CNC(=O)C(C)C)[nH+]c12 ZINC000071435393 179357559 /nfs/dbraw/zinc/35/75/59/179357559.db2.gz MDDOYGJSUKBESM-UHFFFAOYSA-N 1 2 231.299 1.915 20 0 BDADLO Cc1cccn2c(=O)cc(Cn3cc[nH+]c3)nc12 ZINC000029594280 179353899 /nfs/dbraw/zinc/35/38/99/179353899.db2.gz AJPNAOKDWVHKAR-UHFFFAOYSA-N 1 2 240.266 1.248 20 0 BDADLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000594931257 348140159 /nfs/dbraw/zinc/14/01/59/348140159.db2.gz MLEOPNLBLJEOSJ-ADEWGFFLSA-N 1 2 234.299 2.000 20 0 BDADLO CN(C(=O)C[NH+]1CC(C(F)(F)F)C1)C1CC1 ZINC000563779635 323177490 /nfs/dbraw/zinc/17/74/90/323177490.db2.gz WMZXVPZZYAKSIK-UHFFFAOYSA-N 1 2 236.237 1.101 20 0 BDADLO COC[C@@](C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(=O)OC ZINC000595406031 348240170 /nfs/dbraw/zinc/24/01/70/348240170.db2.gz GOGNTBZCFJHFTC-LSCVPOLPSA-N 1 2 241.331 1.200 20 0 BDADLO COC(=O)[C@]1([NH2+]CCC2CCC2)CCOC1 ZINC000595408133 348240668 /nfs/dbraw/zinc/24/06/68/348240668.db2.gz NEZTXEUCUZDHOV-LBPRGKRZSA-N 1 2 227.304 1.098 20 0 BDADLO COC(=O)[C@]1([NH2+]CCC=C(C)C)CCOC1 ZINC000595408129 348240721 /nfs/dbraw/zinc/24/07/21/348240721.db2.gz NCDNUWRPEKKKIH-LBPRGKRZSA-N 1 2 227.304 1.264 20 0 BDADLO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)C(=O)OC)C1 ZINC000419304778 192119758 /nfs/dbraw/zinc/11/97/58/192119758.db2.gz QBUMVKOWWHQYEF-AEJSXWLSSA-N 1 2 215.293 1.095 20 0 BDADLO COC(=O)[C@@](C)(CO)[NH2+]C[C@@H](C)CC(C)C ZINC000595532638 348274748 /nfs/dbraw/zinc/27/47/48/348274748.db2.gz UONMEDPVKMSAEC-CMPLNLGQSA-N 1 2 231.336 1.182 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000595534263 348275270 /nfs/dbraw/zinc/27/52/70/348275270.db2.gz RNEQHORVESROJE-WZRBSPASSA-N 1 2 243.347 1.326 20 0 BDADLO CC[C@@H]([NH2+]CC(C)(C)OCC1CC1)C(=O)OC ZINC000419322315 192121027 /nfs/dbraw/zinc/12/10/27/192121027.db2.gz SECGVPAERPITES-LLVKDONJSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@H](CN1CC[N@H+](CC)C[C@@H]1CC)OC ZINC000419283176 192122265 /nfs/dbraw/zinc/12/22/65/192122265.db2.gz LGXYITDPRQWPEI-QWHCGFSZSA-N 1 2 228.380 1.828 20 0 BDADLO CC[C@H](CN1CC[N@@H+](CC)C[C@@H]1CC)OC ZINC000419283176 192122266 /nfs/dbraw/zinc/12/22/66/192122266.db2.gz LGXYITDPRQWPEI-QWHCGFSZSA-N 1 2 228.380 1.828 20 0 BDADLO CCOCC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595707274 348319812 /nfs/dbraw/zinc/31/98/12/348319812.db2.gz LAIWTKPFKDHHJY-AULYBMBSSA-N 1 2 243.347 1.734 20 0 BDADLO CCSCC[N@H+](C)Cc1cn(C)nn1 ZINC000595757419 348331332 /nfs/dbraw/zinc/33/13/32/348331332.db2.gz DBRBUGNTVIOJCS-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO CCSCC[N@@H+](C)Cc1cn(C)nn1 ZINC000595757419 348331336 /nfs/dbraw/zinc/33/13/36/348331336.db2.gz DBRBUGNTVIOJCS-UHFFFAOYSA-N 1 2 214.338 1.000 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](OC)C1CC1 ZINC000595771711 348336717 /nfs/dbraw/zinc/33/67/17/348336717.db2.gz DPIOEOHLDMXXBT-PWSUYJOCSA-N 1 2 247.310 1.292 20 0 BDADLO COC(=O)[C@](C)(CCF)[NH2+]CCOCC(C)C ZINC000595775578 348338081 /nfs/dbraw/zinc/33/80/81/348338081.db2.gz PABFICAGUCRTBC-LBPRGKRZSA-N 1 2 249.326 1.540 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595779248 348339747 /nfs/dbraw/zinc/33/97/47/348339747.db2.gz BJWPSOJOKCBTBA-DCAQKATOSA-N 1 2 241.331 1.221 20 0 BDADLO CSC[C@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000595885930 348389399 /nfs/dbraw/zinc/38/93/99/348389399.db2.gz QPRVLUGDLZWGBR-MRVPVSSYSA-N 1 2 247.389 1.002 20 0 BDADLO CSC[C@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000595885930 348389401 /nfs/dbraw/zinc/38/94/01/348389401.db2.gz QPRVLUGDLZWGBR-MRVPVSSYSA-N 1 2 247.389 1.002 20 0 BDADLO CCOCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596083919 348431921 /nfs/dbraw/zinc/43/19/21/348431921.db2.gz YPEJTBCXOLPNGU-UHFFFAOYSA-N 1 2 238.287 1.246 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NCCC(C)C)c1 ZINC000596050170 348432722 /nfs/dbraw/zinc/43/27/22/348432722.db2.gz BLXSOCDDTUQISV-UHFFFAOYSA-N 1 2 236.315 1.677 20 0 BDADLO COC(=O)Cc1cc[nH+]c(NC[C@@H]2C[C@@H]2C)c1 ZINC000596078482 348439380 /nfs/dbraw/zinc/43/93/80/348439380.db2.gz QXBSGKCTABLORU-ONGXEEELSA-N 1 2 234.299 1.865 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000531361148 348426257 /nfs/dbraw/zinc/42/62/57/348426257.db2.gz CAFRCEZXVSNNJX-ITGUQSILSA-N 1 2 247.342 1.826 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CC[C@H](C)C2)c1 ZINC000596106880 348441054 /nfs/dbraw/zinc/44/10/54/348441054.db2.gz VWBKOEKPCAFSRS-JTQLQIEISA-N 1 2 234.299 1.643 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2C[C@@H](C)[C@H](C)C2)c1 ZINC000596144061 348450186 /nfs/dbraw/zinc/45/01/86/348450186.db2.gz BOXCQVCMIHUQID-GHMZBOCLSA-N 1 2 248.326 1.889 20 0 BDADLO COC(=O)Cc1cc[nH+]c(N2CCC[C@@H]2C)c1 ZINC000596145344 348450949 /nfs/dbraw/zinc/45/09/49/348450949.db2.gz RNGGPSRJXKZBOF-JTQLQIEISA-N 1 2 234.299 1.786 20 0 BDADLO COC(=O)C[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC000596494068 348561792 /nfs/dbraw/zinc/56/17/92/348561792.db2.gz WXUWBYXWJSBGLK-LLVKDONJSA-N 1 2 249.314 1.208 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCCSCC1)C(=O)OC ZINC000597110972 348658099 /nfs/dbraw/zinc/65/80/99/348658099.db2.gz MSPYNFPQVQVPMI-UWVGGRQHSA-N 1 2 247.360 1.050 20 0 BDADLO COC[C@@H](C)C[NH2+][C@](C)(CCF)C(=O)OC ZINC000597212702 348680484 /nfs/dbraw/zinc/68/04/84/348680484.db2.gz AHCMFZOWYMBVOU-GXSJLCMTSA-N 1 2 235.299 1.150 20 0 BDADLO CC(=O)NCCCCNc1cccc[nH+]1 ZINC000264199133 192373292 /nfs/dbraw/zinc/37/32/92/192373292.db2.gz SLJSWWKAQWLNDV-UHFFFAOYSA-N 1 2 207.277 1.410 20 0 BDADLO C[N@H+](CC(F)F)C[C@H]1CCCC[C@H]1O ZINC000245564486 349082686 /nfs/dbraw/zinc/08/26/86/349082686.db2.gz YYHVKAVESNBAKV-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO C[N@@H+](CC(F)F)C[C@H]1CCCC[C@H]1O ZINC000245564486 349082688 /nfs/dbraw/zinc/08/26/88/349082688.db2.gz YYHVKAVESNBAKV-RKDXNWHRSA-N 1 2 207.264 1.734 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000308913894 349066365 /nfs/dbraw/zinc/06/63/65/349066365.db2.gz FJQJFAZNIVAZKH-LPEHRKFASA-N 1 2 215.293 1.095 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247596805 349119246 /nfs/dbraw/zinc/11/92/46/349119246.db2.gz SODUBLDXHFJXIC-GMTAPVOTSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247596805 349119250 /nfs/dbraw/zinc/11/92/50/349119250.db2.gz SODUBLDXHFJXIC-GMTAPVOTSA-N 1 2 229.320 1.437 20 0 BDADLO C[C@H](OCC1CC1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000599255060 349131896 /nfs/dbraw/zinc/13/18/96/349131896.db2.gz FWKMMBRFBGMFNI-VIFPVBQESA-N 1 2 237.303 1.183 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H](OCC)C1CC1 ZINC000599277151 349138850 /nfs/dbraw/zinc/13/88/50/349138850.db2.gz JWNJJZUCWIHFKK-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H](OCC)C1CC1 ZINC000599277151 349138853 /nfs/dbraw/zinc/13/88/53/349138853.db2.gz JWNJJZUCWIHFKK-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046887581 490229514 /nfs/dbraw/zinc/22/95/14/490229514.db2.gz QBCISPUDTJHMPL-VXGBXAGGSA-N 1 2 242.363 1.260 20 0 BDADLO CCO[C@H](C[NH2+][C@](C)(CC)C(=O)OC)C1CC1 ZINC000599351566 349156067 /nfs/dbraw/zinc/15/60/67/349156067.db2.gz GOQSYBAZCNQDLF-DGCLKSJQSA-N 1 2 243.347 1.733 20 0 BDADLO Cc1cc(N[C@H](C)CN2CCCC2=O)nc[nH+]1 ZINC000599533794 349211266 /nfs/dbraw/zinc/21/12/66/349211266.db2.gz DDMVPIZMQXLOSR-SNVBAGLBSA-N 1 2 234.303 1.208 20 0 BDADLO CC(C)c1nc(N[C@@H](C)c2nncn2C)cc[nH+]1 ZINC000599508975 349213681 /nfs/dbraw/zinc/21/36/81/349213681.db2.gz IJMAXHPOKKSGEL-VIFPVBQESA-N 1 2 246.318 1.324 20 0 BDADLO CC[N@@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599550926 349215439 /nfs/dbraw/zinc/21/54/39/349215439.db2.gz HSTISUOHWDTMGY-UHFFFAOYSA-N 1 2 237.274 1.990 20 0 BDADLO CC[N@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599550926 349215440 /nfs/dbraw/zinc/21/54/40/349215440.db2.gz HSTISUOHWDTMGY-UHFFFAOYSA-N 1 2 237.274 1.990 20 0 BDADLO CCOC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000599595667 349222656 /nfs/dbraw/zinc/22/26/56/349222656.db2.gz LYUCJRVMDWLLBQ-CYBMUJFWSA-N 1 2 243.347 1.470 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC[C@H](C)[C@H](C)C1 ZINC000253072440 349225956 /nfs/dbraw/zinc/22/59/56/349225956.db2.gz OAFJSUSNOIOADW-DTWKUNHWSA-N 1 2 236.319 1.550 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC[C@H](C)[C@H](C)C1 ZINC000253072440 349225959 /nfs/dbraw/zinc/22/59/59/349225959.db2.gz OAFJSUSNOIOADW-DTWKUNHWSA-N 1 2 236.319 1.550 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000599624897 349230543 /nfs/dbraw/zinc/23/05/43/349230543.db2.gz KFAFZAKQRDGBRX-GUDRVLHUSA-N 1 2 243.347 1.730 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000253360564 349232969 /nfs/dbraw/zinc/23/29/69/349232969.db2.gz AHFFNVISZXNZMM-HLTSFMKQSA-N 1 2 223.276 1.012 20 0 BDADLO C[C@@H](O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599652496 349234170 /nfs/dbraw/zinc/23/41/70/349234170.db2.gz NKLNATWXZLYURC-SECBINFHSA-N 1 2 231.336 1.467 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC2(C)C)c2[nH+]ccn21 ZINC000333833687 538033535 /nfs/dbraw/zinc/03/35/35/538033535.db2.gz LYYACIWNMQDGCQ-KXUCPTDWSA-N 1 2 248.330 1.987 20 0 BDADLO COC(=O)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514518 349204295 /nfs/dbraw/zinc/20/42/95/349204295.db2.gz XNHPABNEVCKIED-YUMQZZPRSA-N 1 2 221.247 1.383 20 0 BDADLO COC(=O)[C@H]1CCCCN1Cc1[nH]cc(C)[nH+]1 ZINC000600106430 349288281 /nfs/dbraw/zinc/28/82/81/349288281.db2.gz ZAWDVOPLVDMDOB-SNVBAGLBSA-N 1 2 237.303 1.246 20 0 BDADLO C[C@]1(C[NH+]2CC(S(C)(=O)=O)C2)CCCS1 ZINC000628304217 349280917 /nfs/dbraw/zinc/28/09/17/349280917.db2.gz LPEJYMMMDKBLKF-SNVBAGLBSA-N 1 2 249.401 1.001 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC=CC1 ZINC000636840119 350007383 /nfs/dbraw/zinc/00/73/83/350007383.db2.gz KCIAZGOAGJHJRF-UHFFFAOYSA-N 1 2 248.330 1.621 20 0 BDADLO COC(=O)[C@H](C)CN(C)c1[nH+]cccc1OC ZINC000128681918 350025626 /nfs/dbraw/zinc/02/56/26/350025626.db2.gz SGXLWUIUEMJYBT-SECBINFHSA-N 1 2 238.287 1.336 20 0 BDADLO CCOCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603815244 350038363 /nfs/dbraw/zinc/03/83/63/350038363.db2.gz MZZJCPHXOYCWIY-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO Cn1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000603881729 350047835 /nfs/dbraw/zinc/04/78/35/350047835.db2.gz HBYSGFFLWWVZAL-UHFFFAOYSA-N 1 2 241.254 1.320 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccon1 ZINC000603883594 350047999 /nfs/dbraw/zinc/04/79/99/350047999.db2.gz GFEILBNRXNFOJM-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO C[C@H]1COCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000026450959 350053987 /nfs/dbraw/zinc/05/39/87/350053987.db2.gz HEEDXROEIPVFPS-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@H]1COCC[N@H+]1CC(=O)NCc1ccccc1 ZINC000026450959 350053989 /nfs/dbraw/zinc/05/39/89/350053989.db2.gz HEEDXROEIPVFPS-LBPRGKRZSA-N 1 2 248.326 1.024 20 0 BDADLO CCC1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636898309 350055403 /nfs/dbraw/zinc/05/54/03/350055403.db2.gz QVGOWHPMZKHKRF-JTQLQIEISA-N 1 2 248.330 1.297 20 0 BDADLO COC(=O)[C@H]([NH2+]C[C@@H](O)C(C)C)C(C)(C)C ZINC000390782479 350087796 /nfs/dbraw/zinc/08/77/96/350087796.db2.gz KYMWZERJIKVMGA-ZJUUUORDSA-N 1 2 231.336 1.181 20 0 BDADLO COCc1cnc(C[N@@H+]2CCCOCC2)s1 ZINC000342642368 538050695 /nfs/dbraw/zinc/05/06/95/538050695.db2.gz WOICNQADQDMNTC-UHFFFAOYSA-N 1 2 242.344 1.512 20 0 BDADLO COCc1cnc(C[N@H+]2CCCOCC2)s1 ZINC000342642368 538050698 /nfs/dbraw/zinc/05/06/98/538050698.db2.gz WOICNQADQDMNTC-UHFFFAOYSA-N 1 2 242.344 1.512 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CCCC[C@@H](CO)C2)no1 ZINC000368124368 180047428 /nfs/dbraw/zinc/04/74/28/180047428.db2.gz QWVYSPOYONGRPM-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CCCC[C@@H](CO)C2)no1 ZINC000368124368 180047430 /nfs/dbraw/zinc/04/74/30/180047430.db2.gz QWVYSPOYONGRPM-GXSJLCMTSA-N 1 2 239.319 1.533 20 0 BDADLO Cc1nc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)no1 ZINC000329782348 180052027 /nfs/dbraw/zinc/05/20/27/180052027.db2.gz NVBPWAMVSVWYJN-FJXKBIBVSA-N 1 2 238.291 1.536 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000042978267 323256436 /nfs/dbraw/zinc/25/64/36/323256436.db2.gz WMWNSKXPNIFBJL-JTQLQIEISA-N 1 2 238.331 1.935 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000042978267 323256441 /nfs/dbraw/zinc/25/64/41/323256441.db2.gz WMWNSKXPNIFBJL-JTQLQIEISA-N 1 2 238.331 1.935 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)c3cc[nH]n3)cc2[nH+]1 ZINC000045056583 180081758 /nfs/dbraw/zinc/08/17/58/180081758.db2.gz HVBHDBCSVYHNER-UHFFFAOYSA-N 1 2 241.254 1.847 20 0 BDADLO Cc1nc(NC[C@H](C)CO)c2c([nH+]1)CCCC2 ZINC000272860266 180069909 /nfs/dbraw/zinc/06/99/09/180069909.db2.gz LVKLTSOSEATGOP-VIFPVBQESA-N 1 2 235.331 1.704 20 0 BDADLO Cc1nc2n(n1)CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000267352645 180112498 /nfs/dbraw/zinc/11/24/98/180112498.db2.gz GFEUZZPWGFNXLE-LLVKDONJSA-N 1 2 218.304 1.511 20 0 BDADLO Cc1nc2n(n1)CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000267352645 180112500 /nfs/dbraw/zinc/11/25/00/180112500.db2.gz GFEUZZPWGFNXLE-LLVKDONJSA-N 1 2 218.304 1.511 20 0 BDADLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCF ZINC000357680201 180103936 /nfs/dbraw/zinc/10/39/36/180103936.db2.gz WPZQDWZTWNZLFM-UHFFFAOYSA-N 1 2 249.289 1.821 20 0 BDADLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC(C)C1 ZINC000336253832 180104374 /nfs/dbraw/zinc/10/43/74/180104374.db2.gz BFYFTNXQQGCVLF-UHFFFAOYSA-N 1 2 243.310 1.823 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@H]2CC[C@H](C)C2)c[nH+]1 ZINC000336419966 180131772 /nfs/dbraw/zinc/13/17/72/180131772.db2.gz BSURRWFAQVOHBZ-WPRPVWTQSA-N 1 2 221.304 1.884 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(C)nc1C ZINC000271945499 180132581 /nfs/dbraw/zinc/13/25/81/180132581.db2.gz HUWKBBNZXLKBFV-UHFFFAOYSA-N 1 2 245.286 1.055 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H](C)c2cc[nH]c(=O)c2)c[nH+]1 ZINC000355202620 180134301 /nfs/dbraw/zinc/13/43/01/180134301.db2.gz PRFSBADIMRMYIE-SSDOTTSWSA-N 1 2 246.270 1.310 20 0 BDADLO Cc1ncc(C[N@@H+]2CCO[C@H](CF)C2)s1 ZINC000336280005 180144045 /nfs/dbraw/zinc/14/40/45/180144045.db2.gz LHHSSTNPENGDNN-SECBINFHSA-N 1 2 230.308 1.622 20 0 BDADLO Cc1ncc(C[N@H+]2CCO[C@H](CF)C2)s1 ZINC000336280005 180144046 /nfs/dbraw/zinc/14/40/46/180144046.db2.gz LHHSSTNPENGDNN-SECBINFHSA-N 1 2 230.308 1.622 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000334786725 180119459 /nfs/dbraw/zinc/11/94/59/180119459.db2.gz FWWMHCRFBDULIR-QMMMGPOBSA-N 1 2 243.257 1.770 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)C(C)(F)F ZINC000341751102 180119520 /nfs/dbraw/zinc/11/95/20/180119520.db2.gz OTRMNPJMAUBJJV-LURJTMIESA-N 1 2 231.246 1.626 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CC(C)(C)C1 ZINC000334276291 180119529 /nfs/dbraw/zinc/11/95/29/180119529.db2.gz COTJATLRIJKWEN-UHFFFAOYSA-N 1 2 221.304 1.771 20 0 BDADLO Cc1noc(C)c1CC(=O)NCc1[nH]c[nH+]c1C ZINC000331076472 180119536 /nfs/dbraw/zinc/11/95/36/180119536.db2.gz LOQWEUHNXVQSGE-UHFFFAOYSA-N 1 2 248.286 1.182 20 0 BDADLO Cc1ncc(C(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000290975583 180127465 /nfs/dbraw/zinc/12/74/65/180127465.db2.gz UQKUDIRSSOWDFK-UHFFFAOYSA-N 1 2 248.311 1.304 20 0 BDADLO Cc1nc(NC[C@]2(O)CCSC2)cc[nH+]1 ZINC000176741143 180199991 /nfs/dbraw/zinc/19/99/91/180199991.db2.gz WZUUFJNTHOOYGU-SNVBAGLBSA-N 1 2 225.317 1.065 20 0 BDADLO Cc1nc(N[C@@H](CO)CC(F)(F)F)cc[nH+]1 ZINC000309888948 180202375 /nfs/dbraw/zinc/20/23/75/180202375.db2.gz ZLWSSIJKUBBAGS-SSDOTTSWSA-N 1 2 235.209 1.510 20 0 BDADLO Cc1nc(N[C@@H]2CCC[C@H](CO)C2)cc[nH+]1 ZINC000298634591 180202398 /nfs/dbraw/zinc/20/23/98/180202398.db2.gz QVAMJYCUXKSDTG-WDEREUQCSA-N 1 2 221.304 1.748 20 0 BDADLO Cc1nc(N[C@@H]2CCOC[C@H]2C)cc[nH+]1 ZINC000277401600 180204020 /nfs/dbraw/zinc/20/40/20/180204020.db2.gz HCLFPRWHZWZDOZ-PSASIEDQSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nc2n(n1)C[C@H](Nc1cc[nH+]c(C)n1)CC2 ZINC000360997807 180204920 /nfs/dbraw/zinc/20/49/20/180204920.db2.gz NYJVNAJIMMBQJU-SNVBAGLBSA-N 1 2 244.302 1.112 20 0 BDADLO Cc1nnc([C@@H](C)Nc2cc[nH+]c(C)n2)[nH]1 ZINC000286596937 180205022 /nfs/dbraw/zinc/20/50/22/180205022.db2.gz SHGXCMMGEBHRQX-ZCFIWIBFSA-N 1 2 218.264 1.385 20 0 BDADLO Cc1nc(N[C@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000277401611 180208407 /nfs/dbraw/zinc/20/84/07/180208407.db2.gz HCLFPRWHZWZDOZ-WPRPVWTQSA-N 1 2 207.277 1.622 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOCC23CC3)n1 ZINC000338591705 180183684 /nfs/dbraw/zinc/18/36/84/180183684.db2.gz HCGAONJBMBXMJY-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1nccc(C[N@H+]2CCOCC23CC3)n1 ZINC000338591705 180183687 /nfs/dbraw/zinc/18/36/87/180183687.db2.gz HCGAONJBMBXMJY-UHFFFAOYSA-N 1 2 219.288 1.150 20 0 BDADLO Cc1nccc(C[N@H+]2CC(C)(C)OC[C@H]2C)n1 ZINC000353197645 180184121 /nfs/dbraw/zinc/18/41/21/180184121.db2.gz WCVGNNAQKQUPCS-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1nccc(C[N@@H+]2CC(C)(C)OC[C@H]2C)n1 ZINC000353197645 180184122 /nfs/dbraw/zinc/18/41/22/180184122.db2.gz WCVGNNAQKQUPCS-SNVBAGLBSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1ncccc1CNc1ccc(CO)c[nH+]1 ZINC000340573638 180222767 /nfs/dbraw/zinc/22/27/67/180222767.db2.gz DHTMMYSZHWCWIU-UHFFFAOYSA-N 1 2 229.283 1.889 20 0 BDADLO Cc1ncccc1NC(=O)CCn1cc[nH+]c1 ZINC000266618054 180224113 /nfs/dbraw/zinc/22/41/13/180224113.db2.gz DCFZCVIXRIODQD-UHFFFAOYSA-N 1 2 230.271 1.615 20 0 BDADLO Cc1[nH+]cccc1NCc1cncnc1 ZINC000085711694 180226133 /nfs/dbraw/zinc/22/61/33/180226133.db2.gz WUVADVTWMYQPKH-UHFFFAOYSA-N 1 2 200.245 1.792 20 0 BDADLO Cc1ncccc1NCc1[nH+]ccn1C ZINC000085711567 180226724 /nfs/dbraw/zinc/22/67/24/180226724.db2.gz MAFDZTRQOPXICH-UHFFFAOYSA-N 1 2 202.261 1.736 20 0 BDADLO Cc1c[nH]c(CN2CC(OCC(F)F)C2)[nH+]1 ZINC000628306825 350262195 /nfs/dbraw/zinc/26/21/95/350262195.db2.gz XXWTVNKLFNSMDE-UHFFFAOYSA-N 1 2 231.246 1.184 20 0 BDADLO COC[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000069054132 350323406 /nfs/dbraw/zinc/32/34/06/350323406.db2.gz BWOHQZIPXUBCRZ-GFCCVEGCSA-N 1 2 232.283 1.557 20 0 BDADLO Cc1ncsc1CN(C)Cc1c[nH+]cn1C ZINC000177065435 180313780 /nfs/dbraw/zinc/31/37/80/180313780.db2.gz LHBGURUZTFGMEO-UHFFFAOYSA-N 1 2 236.344 1.817 20 0 BDADLO Cc1ncsc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282677928 180316051 /nfs/dbraw/zinc/31/60/51/180316051.db2.gz ICCJQHYLXCAGOT-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO Cc1ncsc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282677928 180316053 /nfs/dbraw/zinc/31/60/53/180316053.db2.gz ICCJQHYLXCAGOT-UHFFFAOYSA-N 1 2 239.344 1.162 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225429246 350362011 /nfs/dbraw/zinc/36/20/11/350362011.db2.gz QHVBTPPAJJLHMP-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC000225429246 350362015 /nfs/dbraw/zinc/36/20/15/350362015.db2.gz QHVBTPPAJJLHMP-DJLDLDEBSA-N 1 2 241.253 1.409 20 0 BDADLO Cc1ncsc1CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368633687 180309712 /nfs/dbraw/zinc/30/97/12/180309712.db2.gz BUNHAGVVPTZFQD-ZJUUUORDSA-N 1 2 224.329 1.467 20 0 BDADLO Cc1ncsc1CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368633687 180309714 /nfs/dbraw/zinc/30/97/14/180309714.db2.gz BUNHAGVVPTZFQD-ZJUUUORDSA-N 1 2 224.329 1.467 20 0 BDADLO Cc1ncsc1NC(=O)CCn1cc[nH+]c1 ZINC000355979919 180324866 /nfs/dbraw/zinc/32/48/66/180324866.db2.gz JPRCEIVWLVQVTE-UHFFFAOYSA-N 1 2 236.300 1.677 20 0 BDADLO Cc1ncsc1C[NH+]1CCN(C)CC1 ZINC000154395690 180317093 /nfs/dbraw/zinc/31/70/93/180317093.db2.gz HFFVUCKRKDMILP-UHFFFAOYSA-N 1 2 211.334 1.199 20 0 BDADLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335944362 180318219 /nfs/dbraw/zinc/31/82/19/180318219.db2.gz MBNZOPUDBJJGJN-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000335944362 180318223 /nfs/dbraw/zinc/31/82/23/180318223.db2.gz MBNZOPUDBJJGJN-AOOOYVTPSA-N 1 2 224.329 1.815 20 0 BDADLO CCc1cc(NCc2ccnc(C)n2)nc[nH+]1 ZINC000040765199 350395639 /nfs/dbraw/zinc/39/56/39/350395639.db2.gz SULPEKYSBSFFFZ-UHFFFAOYSA-N 1 2 229.287 1.750 20 0 BDADLO CC(C)N1C(=O)CN(c2cccc[nH+]2)CC1(C)C ZINC000336362949 535128743 /nfs/dbraw/zinc/12/87/43/535128743.db2.gz KJKJQQBMWMYGPA-UHFFFAOYSA-N 1 2 247.342 1.917 20 0 BDADLO CC[N@H+](Cc1nccc(C)n1)[C@H]1CCOC1 ZINC000336658106 350422012 /nfs/dbraw/zinc/42/20/12/350422012.db2.gz MISXTWZQPFSJJQ-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO CC[N@@H+](Cc1nccc(C)n1)[C@H]1CCOC1 ZINC000336658106 350422019 /nfs/dbraw/zinc/42/20/19/350422019.db2.gz MISXTWZQPFSJJQ-NSHDSACASA-N 1 2 221.304 1.396 20 0 BDADLO C[C@@H](C(N)=O)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007689910 350447248 /nfs/dbraw/zinc/44/72/48/350447248.db2.gz WCBRGQSIWCFACA-QMMMGPOBSA-N 1 2 249.339 1.602 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007689910 350447250 /nfs/dbraw/zinc/44/72/50/350447250.db2.gz WCBRGQSIWCFACA-QMMMGPOBSA-N 1 2 249.339 1.602 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@H](COC)C2)no1 ZINC000336703748 350454539 /nfs/dbraw/zinc/45/45/39/350454539.db2.gz OMPGNVCIJCIQJV-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@H](COC)C2)no1 ZINC000336703748 350454541 /nfs/dbraw/zinc/45/45/41/350454541.db2.gz OMPGNVCIJCIQJV-VIFPVBQESA-N 1 2 225.292 1.100 20 0 BDADLO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1nccn1C ZINC000112837268 180378788 /nfs/dbraw/zinc/37/87/88/180378788.db2.gz LBZHZLFLHBOXMZ-SECBINFHSA-N 1 2 233.319 1.313 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000163005216 350494158 /nfs/dbraw/zinc/49/41/58/350494158.db2.gz WNLBWMMINAYFCY-JFGNBEQYSA-N 1 2 249.310 1.702 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCOC1=O)[C@H]1COc2ccccc21 ZINC000163004740 350494257 /nfs/dbraw/zinc/49/42/57/350494257.db2.gz VHIBKXPZAAVWBA-MVWJERBFSA-N 1 2 247.294 1.456 20 0 BDADLO CC(C)CCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428006760 191106325 /nfs/dbraw/zinc/10/63/25/191106325.db2.gz PUOCCKBWEZOIIS-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO FC(F)(F)CC[NH2+]Cc1csnn1 ZINC000063099448 350571135 /nfs/dbraw/zinc/57/11/35/350571135.db2.gz JPZANSQSKGFNPZ-UHFFFAOYSA-N 1 2 211.212 1.580 20 0 BDADLO Cc1cc(N2CCOC[C@@H]2C2CCC2)nc[nH+]1 ZINC000577509040 365974247 /nfs/dbraw/zinc/97/42/47/365974247.db2.gz UDXYEKAJGVVCKB-GFCCVEGCSA-N 1 2 233.315 1.790 20 0 BDADLO CCC[C@@H](O)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000577526691 365978838 /nfs/dbraw/zinc/97/88/38/365978838.db2.gz JLVLUJFCJQJRHK-PSASIEDQSA-N 1 2 227.308 1.532 20 0 BDADLO CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000577526691 365978847 /nfs/dbraw/zinc/97/88/47/365978847.db2.gz JLVLUJFCJQJRHK-PSASIEDQSA-N 1 2 227.308 1.532 20 0 BDADLO CN(Cc1ccon1)C(=O)CCCn1cc[nH+]c1 ZINC000606879729 350624459 /nfs/dbraw/zinc/62/44/59/350624459.db2.gz XHJNNAZLDYVNAQ-UHFFFAOYSA-N 1 2 248.286 1.310 20 0 BDADLO CC[C@@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000337917018 350643173 /nfs/dbraw/zinc/64/31/73/350643173.db2.gz RWCHIMXEBCAWGO-SECBINFHSA-N 1 2 231.303 1.742 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@@H]1CCCCO1 ZINC000157995802 191116259 /nfs/dbraw/zinc/11/62/59/191116259.db2.gz DNFUBPUEQGDICC-JTQLQIEISA-N 1 2 222.244 1.295 20 0 BDADLO C/C=C/CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000637489348 350651669 /nfs/dbraw/zinc/65/16/69/350651669.db2.gz WOSGPRCTDSLZOD-QAVQXKDTSA-N 1 2 248.330 1.806 20 0 BDADLO COCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606899164 350626147 /nfs/dbraw/zinc/62/61/47/350626147.db2.gz FAEBSDHMZGZBBM-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO COCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606899164 350626148 /nfs/dbraw/zinc/62/61/48/350626148.db2.gz FAEBSDHMZGZBBM-SECBINFHSA-N 1 2 241.253 1.676 20 0 BDADLO CC(C)OCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606902457 350627122 /nfs/dbraw/zinc/62/71/22/350627122.db2.gz ZJQOPQWERXIRAL-VIFPVBQESA-N 1 2 241.253 1.675 20 0 BDADLO CC(C)OCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606902457 350627125 /nfs/dbraw/zinc/62/71/25/350627125.db2.gz ZJQOPQWERXIRAL-VIFPVBQESA-N 1 2 241.253 1.675 20 0 BDADLO C/C=C\CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000637488613 350650772 /nfs/dbraw/zinc/65/07/72/350650772.db2.gz RFVDDVUXWUAZSD-QUCGXOGASA-N 1 2 248.330 1.875 20 0 BDADLO C[C@@H]([NH2+]CCOC1CCC1)c1ncn(C)n1 ZINC000309503529 350676947 /nfs/dbraw/zinc/67/69/47/350676947.db2.gz VJDONMNEIZZZPM-SECBINFHSA-N 1 2 224.308 1.035 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCO[C@H](C)C1 ZINC000096593376 350679112 /nfs/dbraw/zinc/67/91/12/350679112.db2.gz JWCDGSNMSJDCPD-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCO[C@H](C)C1 ZINC000096593376 350679113 /nfs/dbraw/zinc/67/91/13/350679113.db2.gz JWCDGSNMSJDCPD-MNOVXSKESA-N 1 2 229.320 1.439 20 0 BDADLO Cn1c[nH+]cc1CNc1nc(C2CC2)ns1 ZINC000309512033 350685441 /nfs/dbraw/zinc/68/54/41/350685441.db2.gz PSZKIENVGSRDRC-UHFFFAOYSA-N 1 2 235.316 1.761 20 0 BDADLO COCCC1(C)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628307914 350689810 /nfs/dbraw/zinc/68/98/10/350689810.db2.gz KLVCEBYTVFZHDP-UHFFFAOYSA-N 1 2 237.347 1.885 20 0 BDADLO Cn1cc(CNc2c[nH]c[nH+]2)c(C(F)F)n1 ZINC000309529743 350701668 /nfs/dbraw/zinc/70/16/68/350701668.db2.gz VOZLGICHBOKKPY-UHFFFAOYSA-N 1 2 227.218 1.693 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H](C)C(C)(C)C)[nH+]1 ZINC000563247050 350735339 /nfs/dbraw/zinc/73/53/39/350735339.db2.gz IKIROPZXTFXTOX-MRVPVSSYSA-N 1 2 237.351 1.514 20 0 BDADLO Cc1nc(N[C@H](C)C(C)(C)C)nc(N(C)C)[nH+]1 ZINC000563247050 350735343 /nfs/dbraw/zinc/73/53/43/350735343.db2.gz IKIROPZXTFXTOX-MRVPVSSYSA-N 1 2 237.351 1.514 20 0 BDADLO CC[C@@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000339111967 350735355 /nfs/dbraw/zinc/73/53/55/350735355.db2.gz KCVUGHDKVKRQJE-NEPJUHHUSA-N 1 2 246.314 1.255 20 0 BDADLO COC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000616616779 350858574 /nfs/dbraw/zinc/85/85/74/350858574.db2.gz PSUBYFCYQLSGDS-QMMMGPOBSA-N 1 2 209.249 1.703 20 0 BDADLO CC[C@@](C)([NH2+]CCc1cncs1)C(=O)OC ZINC000411441763 350865611 /nfs/dbraw/zinc/86/56/11/350865611.db2.gz QFRPDRNSDDBYHS-LLVKDONJSA-N 1 2 242.344 1.617 20 0 BDADLO COc1cc(C)c(C[NH2+]Cc2cnn[nH]2)c(C)n1 ZINC000623578343 363012125 /nfs/dbraw/zinc/01/21/25/363012125.db2.gz CWUUFPGORBQOHS-UHFFFAOYSA-N 1 2 247.302 1.115 20 0 BDADLO CC[C@@H](Sc1[nH+]cc2ccccn21)C(N)=O ZINC000263806558 351187779 /nfs/dbraw/zinc/18/77/79/351187779.db2.gz WCDKWBIVEIGJNM-SECBINFHSA-N 1 2 235.312 1.690 20 0 BDADLO CC[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCCO1 ZINC000265103306 351262772 /nfs/dbraw/zinc/26/27/72/351262772.db2.gz FNWYSURKQQOEIC-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO CC[N@H+](Cc1ncc[nH]1)C[C@@H]1CCCO1 ZINC000265103306 351262774 /nfs/dbraw/zinc/26/27/74/351262774.db2.gz FNWYSURKQQOEIC-JTQLQIEISA-N 1 2 209.293 1.411 20 0 BDADLO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ncc[nH]1 ZINC000607288182 351296364 /nfs/dbraw/zinc/29/63/64/351296364.db2.gz YLWSWSQLFSSRNG-UHFFFAOYSA-N 1 2 233.319 1.720 20 0 BDADLO Cc1c[nH]c(C[NH2+]Cc2ccc(C)o2)n1 ZINC000631242361 351308536 /nfs/dbraw/zinc/30/85/36/351308536.db2.gz HKFHQBYXNZQVGX-UHFFFAOYSA-N 1 2 205.261 1.909 20 0 BDADLO Cc1c[nH]c(CN2CCO[C@@](C)(C(F)F)C2)[nH+]1 ZINC000628353115 351317861 /nfs/dbraw/zinc/31/78/61/351317861.db2.gz HZYWFXOYJLDYAR-LLVKDONJSA-N 1 2 245.273 1.574 20 0 BDADLO CC[C@H](C)CN(C)c1nc(C)[nH+]c(N)n1 ZINC000379913953 351277495 /nfs/dbraw/zinc/27/74/95/351277495.db2.gz OOQKMTBGBXUULU-ZETCQYMHSA-N 1 2 209.297 1.075 20 0 BDADLO CC[C@H](C)CN(C)c1nc(N)nc(C)[nH+]1 ZINC000379913953 351277497 /nfs/dbraw/zinc/27/74/97/351277497.db2.gz OOQKMTBGBXUULU-ZETCQYMHSA-N 1 2 209.297 1.075 20 0 BDADLO CCc1ccnc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000271726303 351430712 /nfs/dbraw/zinc/43/07/12/351430712.db2.gz YWMYUDCMZLWBTE-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO CC(C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271330259 351412941 /nfs/dbraw/zinc/41/29/41/351412941.db2.gz RCXCTMYXSOKCGX-UHFFFAOYSA-N 1 2 244.298 1.653 20 0 BDADLO CCOC(=O)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308426318 363070486 /nfs/dbraw/zinc/07/04/86/363070486.db2.gz SKRXNNFTVRWUFT-ZJUUUORDSA-N 1 2 227.304 1.097 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(F)F ZINC000577700388 366035649 /nfs/dbraw/zinc/03/56/49/366035649.db2.gz VAEWBCUDEITOMF-QMMMGPOBSA-N 1 2 246.261 1.226 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000582140733 351616887 /nfs/dbraw/zinc/61/68/87/351616887.db2.gz ZPYUAVZGPPPJCK-NTZNESFSSA-N 1 2 249.358 1.904 20 0 BDADLO O=C([O-])C[N@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC000577748283 366052217 /nfs/dbraw/zinc/05/22/17/366052217.db2.gz SYTRRIAPVRLPHS-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO O=C([O-])C[N@@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC000577748283 366052221 /nfs/dbraw/zinc/05/22/21/366052221.db2.gz SYTRRIAPVRLPHS-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C)c(F)c1 ZINC000637865329 351728006 /nfs/dbraw/zinc/72/80/06/351728006.db2.gz YIPPCVXOSPYBML-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C)c(F)c1 ZINC000637865329 351728009 /nfs/dbraw/zinc/72/80/09/351728009.db2.gz YIPPCVXOSPYBML-UHFFFAOYSA-N 1 2 238.306 1.654 20 0 BDADLO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000177957927 366073602 /nfs/dbraw/zinc/07/36/02/366073602.db2.gz QYMXZVGXPHXKNR-SNVBAGLBSA-N 1 2 238.335 1.146 20 0 BDADLO CC1(C)COCC[N@@H+]1Cc1ccns1 ZINC000637965676 351839692 /nfs/dbraw/zinc/83/96/92/351839692.db2.gz SUDRNKOWMQQDLY-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO CC1(C)COCC[N@H+]1Cc1ccns1 ZINC000637965676 351839693 /nfs/dbraw/zinc/83/96/93/351839693.db2.gz SUDRNKOWMQQDLY-UHFFFAOYSA-N 1 2 212.318 1.754 20 0 BDADLO Cc1ccc2[nH+]c(CNc3cnccn3)cn2c1 ZINC000340113633 351910389 /nfs/dbraw/zinc/91/03/89/351910389.db2.gz LVVLRUBPXAJUJY-UHFFFAOYSA-N 1 2 239.282 1.467 20 0 BDADLO CC[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000618871661 351962919 /nfs/dbraw/zinc/96/29/19/351962919.db2.gz NWBRAUUCOQUNHI-SNVBAGLBSA-N 1 2 235.331 1.992 20 0 BDADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1nnc[nH]1)OC ZINC000638097308 351977892 /nfs/dbraw/zinc/97/78/92/351977892.db2.gz TXMZDVCFZXHPSK-UWVGGRQHSA-N 1 2 226.324 1.298 20 0 BDADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1nnc[nH]1)OC ZINC000638097308 351977895 /nfs/dbraw/zinc/97/78/95/351977895.db2.gz TXMZDVCFZXHPSK-UWVGGRQHSA-N 1 2 226.324 1.298 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000618874204 351993725 /nfs/dbraw/zinc/99/37/25/351993725.db2.gz MVDKMSBWVZRFGL-MNOVXSKESA-N 1 2 247.342 1.819 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000618874204 351993729 /nfs/dbraw/zinc/99/37/29/351993729.db2.gz MVDKMSBWVZRFGL-MNOVXSKESA-N 1 2 247.342 1.819 20 0 BDADLO CC[NH2+][C@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000638313553 352138922 /nfs/dbraw/zinc/13/89/22/352138922.db2.gz AITNSURBYXJENE-ZCFIWIBFSA-N 1 2 246.261 1.592 20 0 BDADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cnnn1C ZINC000290405895 352223827 /nfs/dbraw/zinc/22/38/27/352223827.db2.gz JRAVJSBIVHLESQ-ZDUSSCGKSA-N 1 2 245.330 1.793 20 0 BDADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cnnn1C ZINC000290405895 352223830 /nfs/dbraw/zinc/22/38/30/352223830.db2.gz JRAVJSBIVHLESQ-ZDUSSCGKSA-N 1 2 245.330 1.793 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(F)c2N)no1 ZINC000638421460 352229575 /nfs/dbraw/zinc/22/95/75/352229575.db2.gz WCUWKFSUXGIRHX-UHFFFAOYSA-N 1 2 235.262 1.994 20 0 BDADLO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000411223514 191170830 /nfs/dbraw/zinc/17/08/30/191170830.db2.gz DBVAECVPRZSNIZ-SNVBAGLBSA-N 1 2 243.347 1.875 20 0 BDADLO C[N@H+](Cc1nnc[nH]1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411309740 191177654 /nfs/dbraw/zinc/17/76/54/191177654.db2.gz MJHYZWGSGHNDQV-RYUDHWBXSA-N 1 2 246.289 1.932 20 0 BDADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411309740 191177656 /nfs/dbraw/zinc/17/76/56/191177656.db2.gz MJHYZWGSGHNDQV-RYUDHWBXSA-N 1 2 246.289 1.932 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000294478704 352378489 /nfs/dbraw/zinc/37/84/89/352378489.db2.gz DGHRCRLNEPDEHM-NXEZZACHSA-N 1 2 221.304 1.852 20 0 BDADLO COC(=O)C1([NH2+]CCc2ccccn2)CCCC1 ZINC000411406318 191185077 /nfs/dbraw/zinc/18/50/77/191185077.db2.gz IWXGHUPRDKTYTP-UHFFFAOYSA-N 1 2 248.326 1.700 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCc3nn[nH]c3C2)O1 ZINC000411622375 191198707 /nfs/dbraw/zinc/19/87/07/191198707.db2.gz SWVDADLMROLULA-VIFPVBQESA-N 1 2 236.319 1.120 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCc3nn[nH]c3C2)O1 ZINC000411622375 191198710 /nfs/dbraw/zinc/19/87/10/191198710.db2.gz SWVDADLMROLULA-VIFPVBQESA-N 1 2 236.319 1.120 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)C1(CCF)CC1 ZINC000290571857 180743524 /nfs/dbraw/zinc/74/35/24/180743524.db2.gz VHQQVHXGEDTMMV-UHFFFAOYSA-N 1 2 225.267 1.176 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)C ZINC000357286199 187725515 /nfs/dbraw/zinc/72/55/15/187725515.db2.gz XNRNWZCDJFGHII-UHFFFAOYSA-N 1 2 223.320 1.811 20 0 BDADLO C[C@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798905 191212634 /nfs/dbraw/zinc/21/26/34/191212634.db2.gz XULDXOHPGRAQPO-TVYUQYBPSA-N 1 2 248.301 1.502 20 0 BDADLO C[C@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC(=O)N1 ZINC000411798905 191212636 /nfs/dbraw/zinc/21/26/36/191212636.db2.gz XULDXOHPGRAQPO-TVYUQYBPSA-N 1 2 248.301 1.502 20 0 BDADLO Cc1noc(C)c1[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000607948687 352453154 /nfs/dbraw/zinc/45/31/54/352453154.db2.gz NRCKYJGMFMHHKQ-SSDOTTSWSA-N 1 2 248.286 1.434 20 0 BDADLO Cc1noc(C)c1[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000607948687 352453158 /nfs/dbraw/zinc/45/31/58/352453158.db2.gz NRCKYJGMFMHHKQ-SSDOTTSWSA-N 1 2 248.286 1.434 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCC1(C)CC1 ZINC000357847578 180744428 /nfs/dbraw/zinc/74/44/28/180744428.db2.gz JJDYMYOORCVRKW-UHFFFAOYSA-N 1 2 222.292 1.019 20 0 BDADLO Cn1cnc(C[NH2+]Cc2ccccc2)n1 ZINC000092852399 180769676 /nfs/dbraw/zinc/76/96/76/180769676.db2.gz CRARREOYYQHHJN-UHFFFAOYSA-N 1 2 202.261 1.105 20 0 BDADLO CO[C@H](CNc1ccc(C)[nH+]c1)[C@@H]1CCOC1 ZINC000638761864 352699529 /nfs/dbraw/zinc/69/95/29/352699529.db2.gz MKPBSAMBACALQV-DGCLKSJQSA-N 1 2 236.315 1.853 20 0 BDADLO CC[C@@H]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)O1 ZINC000334185244 352773834 /nfs/dbraw/zinc/77/38/34/352773834.db2.gz DUSCXXZQXKBLJT-NEPJUHHUSA-N 1 2 249.314 1.183 20 0 BDADLO CC[C@H](F)C[NH2+][C@@H](C)c1csnn1 ZINC000412044333 191248780 /nfs/dbraw/zinc/24/87/80/191248780.db2.gz QRSFQERSWMEXQN-BQBZGAKWSA-N 1 2 203.286 1.937 20 0 BDADLO CC(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000334200851 352794128 /nfs/dbraw/zinc/79/41/28/352794128.db2.gz ONNQEPVWUNHWTH-LBPRGKRZSA-N 1 2 233.315 1.972 20 0 BDADLO Cc1coc(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000334211840 352809317 /nfs/dbraw/zinc/80/93/17/352809317.db2.gz ZKKOBVUBHVCBRU-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1coc(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000334211840 352809320 /nfs/dbraw/zinc/80/93/20/352809320.db2.gz ZKKOBVUBHVCBRU-UHFFFAOYSA-N 1 2 219.244 1.550 20 0 BDADLO Cc1c[nH+]c(CN(C)Cc2ccnn2C)n1C ZINC000342849662 352874512 /nfs/dbraw/zinc/87/45/12/352874512.db2.gz HLGVZKZEJWVXJD-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CC1(C)COCC[N@@H+]1CCNC(=O)CC1CC1 ZINC000342976715 352932422 /nfs/dbraw/zinc/93/24/22/352932422.db2.gz SOEOGLGWCCEQFC-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO CC1(C)COCC[N@H+]1CCNC(=O)CC1CC1 ZINC000342976715 352932426 /nfs/dbraw/zinc/93/24/26/352932426.db2.gz SOEOGLGWCCEQFC-UHFFFAOYSA-N 1 2 240.347 1.014 20 0 BDADLO O[C@@]1(C(F)(F)F)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000334355240 352993774 /nfs/dbraw/zinc/99/37/74/352993774.db2.gz AKFCNAVFUYFCBX-VIFPVBQESA-N 1 2 249.236 1.299 20 0 BDADLO Cn1cc[nH+]c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000334319617 352950519 /nfs/dbraw/zinc/95/05/19/352950519.db2.gz UQBBHJBSGWEPHL-KBPBESRZSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1cccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334322521 352959193 /nfs/dbraw/zinc/95/91/93/352959193.db2.gz YCXHJFYWOKURIY-VIFPVBQESA-N 1 2 244.298 1.036 20 0 BDADLO Cn1cccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334322521 352959195 /nfs/dbraw/zinc/95/91/95/352959195.db2.gz YCXHJFYWOKURIY-VIFPVBQESA-N 1 2 244.298 1.036 20 0 BDADLO CCc1nnc([C@@H](C)[NH2+]Cc2ccns2)[nH]1 ZINC000638823336 353004146 /nfs/dbraw/zinc/00/41/46/353004146.db2.gz RCZGZSHZJVUTQP-SSDOTTSWSA-N 1 2 237.332 1.674 20 0 BDADLO Cn1ncc2c1nc[nH+]c2NC1CCC1 ZINC000052211645 180822882 /nfs/dbraw/zinc/82/28/82/180822882.db2.gz KXEAUKRHHQVBPJ-UHFFFAOYSA-N 1 2 203.249 1.328 20 0 BDADLO COC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000608088078 353062295 /nfs/dbraw/zinc/06/22/95/353062295.db2.gz BLRRELRADADZQJ-LLVKDONJSA-N 1 2 235.331 1.859 20 0 BDADLO Cc1ncccc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000334473170 353118582 /nfs/dbraw/zinc/11/85/82/353118582.db2.gz IVQCBTRQJIRWNA-SNVBAGLBSA-N 1 2 233.315 1.053 20 0 BDADLO Cc1ncccc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000334473170 353118585 /nfs/dbraw/zinc/11/85/85/353118585.db2.gz IVQCBTRQJIRWNA-SNVBAGLBSA-N 1 2 233.315 1.053 20 0 BDADLO COC(=O)C[N@H+](Cc1cccnc1C)C(C)C ZINC000093287373 353227025 /nfs/dbraw/zinc/22/70/25/353227025.db2.gz UTRVQHFVYMOESI-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO COC(=O)C[N@@H+](Cc1cccnc1C)C(C)C ZINC000093287373 353227027 /nfs/dbraw/zinc/22/70/27/353227027.db2.gz UTRVQHFVYMOESI-UHFFFAOYSA-N 1 2 236.315 1.773 20 0 BDADLO Cc1ccc(CC(=O)NCc2c[nH+]cn2C)o1 ZINC000516691984 538113632 /nfs/dbraw/zinc/11/36/32/538113632.db2.gz UTTWFIQJURFKSX-UHFFFAOYSA-N 1 2 233.271 1.180 20 0 BDADLO COC1(C[NH2+][C@@H](C)c2cn[nH]c2C)CCC1 ZINC000134718183 538113649 /nfs/dbraw/zinc/11/36/49/538113649.db2.gz SXMAGYQKOIMVEH-VIFPVBQESA-N 1 2 223.320 1.938 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000134577364 538113300 /nfs/dbraw/zinc/11/33/00/538113300.db2.gz LIJBVLPQDZVPMS-LDYMZIIASA-N 1 2 241.360 1.237 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2sccc2F)C1 ZINC000334500749 353328203 /nfs/dbraw/zinc/32/82/03/353328203.db2.gz UMFUJKNBYHQWOG-UHFFFAOYSA-N 1 2 242.319 1.710 20 0 BDADLO COCc1noc(C[NH+]2C3CCC2CC3)n1 ZINC000537520838 324075985 /nfs/dbraw/zinc/07/59/85/324075985.db2.gz MUMDRGFGNQZPKZ-UHFFFAOYSA-N 1 2 223.276 1.343 20 0 BDADLO CCC[C@@H](C[N@@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083975 353424205 /nfs/dbraw/zinc/42/42/05/353424205.db2.gz HTQIZODZFPSSRK-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO CCC[C@@H](C[N@H+]1CC(F)(F)C[C@@H]1CO)OC ZINC000639083975 353424208 /nfs/dbraw/zinc/42/42/08/353424208.db2.gz HTQIZODZFPSSRK-ZJUUUORDSA-N 1 2 237.290 1.503 20 0 BDADLO Cc1cnc(CNc2cc(C)[nH+]cn2)o1 ZINC000226805093 491051139 /nfs/dbraw/zinc/05/11/39/491051139.db2.gz XMZDKTOWIPRTSX-UHFFFAOYSA-N 1 2 204.233 1.694 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000093145679 353469798 /nfs/dbraw/zinc/46/97/98/353469798.db2.gz KZPGUXKVBYDSNL-SECBINFHSA-N 1 2 211.309 1.309 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000093145679 353469800 /nfs/dbraw/zinc/46/98/00/353469800.db2.gz KZPGUXKVBYDSNL-SECBINFHSA-N 1 2 211.309 1.309 20 0 BDADLO CCc1nc(C[N@H+](C)[C@H](CO)C(C)(C)C)no1 ZINC000134392935 353496025 /nfs/dbraw/zinc/49/60/25/353496025.db2.gz RWIBOEWCUXBCMJ-SECBINFHSA-N 1 2 241.335 1.471 20 0 BDADLO CCc1nc(C[N@@H+](C)[C@H](CO)C(C)(C)C)no1 ZINC000134392935 353496027 /nfs/dbraw/zinc/49/60/27/353496027.db2.gz RWIBOEWCUXBCMJ-SECBINFHSA-N 1 2 241.335 1.471 20 0 BDADLO Cc1cc(NC(=O)NCC2(C)CC2)cc[nH+]1 ZINC000334515966 353614909 /nfs/dbraw/zinc/61/49/09/353614909.db2.gz XYPIFJGERPFOJT-UHFFFAOYSA-N 1 2 219.288 1.734 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(C)o1 ZINC000195519035 353765521 /nfs/dbraw/zinc/76/55/21/353765521.db2.gz ALQRUYJXINCBSZ-VIFPVBQESA-N 1 2 249.318 1.695 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(C)o1 ZINC000195519035 353765524 /nfs/dbraw/zinc/76/55/24/353765524.db2.gz ALQRUYJXINCBSZ-VIFPVBQESA-N 1 2 249.318 1.695 20 0 BDADLO Fc1cccc2c1[C@H](NCc1[nH]cc[nH+]1)CO2 ZINC000373286172 181008220 /nfs/dbraw/zinc/00/82/20/181008220.db2.gz RBPYMWIPKWMPTC-SECBINFHSA-N 1 2 233.246 1.772 20 0 BDADLO CCc1cnc(NC(=O)Cn2cc[nH+]c2)s1 ZINC000074121039 353826603 /nfs/dbraw/zinc/82/66/03/353826603.db2.gz WBCMOLYSVIDFTC-UHFFFAOYSA-N 1 2 236.300 1.541 20 0 BDADLO CC[C@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313745 353868362 /nfs/dbraw/zinc/86/83/62/353868362.db2.gz LRBGUCMYACPXBG-SECBINFHSA-N 1 2 248.286 1.227 20 0 BDADLO CCOC(=O)CC[N@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000343396566 353877157 /nfs/dbraw/zinc/87/71/57/353877157.db2.gz KHDLXFGCWRNARE-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO CCOC(=O)CC[N@@H+](C)[C@@H](C)c1nnc(C)o1 ZINC000343396566 353877160 /nfs/dbraw/zinc/87/71/60/353877160.db2.gz KHDLXFGCWRNARE-QMMMGPOBSA-N 1 2 241.291 1.324 20 0 BDADLO CCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000334524825 353896541 /nfs/dbraw/zinc/89/65/41/353896541.db2.gz XWQHNJQKHYAKNU-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000334524821 353896692 /nfs/dbraw/zinc/89/66/92/353896692.db2.gz XWQHNJQKHYAKNU-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO COc1cc(F)cc(OC)c1C[NH2+]CCF ZINC000639133215 353842694 /nfs/dbraw/zinc/84/26/94/353842694.db2.gz JNONTTZINXVAGU-UHFFFAOYSA-N 1 2 231.242 1.902 20 0 BDADLO CO[C@@H](C[NH2+]C1(C(F)F)CC1)C1CC1 ZINC000639139136 353855391 /nfs/dbraw/zinc/85/53/91/353855391.db2.gz GRZGRPNDOAEYRR-QMMMGPOBSA-N 1 2 205.248 1.799 20 0 BDADLO Cc1n[nH]c(C)c1CC(=O)Nc1cc[nH+]cc1C ZINC000334539162 353926876 /nfs/dbraw/zinc/92/68/76/353926876.db2.gz HFTHFCCUUIIZMF-UHFFFAOYSA-N 1 2 244.298 1.333 20 0 BDADLO CCc1nnc([C@H](C)[N@H+](CC)CCOC)o1 ZINC000343640295 353950887 /nfs/dbraw/zinc/95/08/87/353950887.db2.gz ASORAHUGFIGJRG-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+](CC)CCOC)o1 ZINC000343640295 353950889 /nfs/dbraw/zinc/95/08/89/353950889.db2.gz ASORAHUGFIGJRG-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO CCCn1c(C)nnc1C[N@H+](CC)CCCO ZINC000343700320 353966397 /nfs/dbraw/zinc/96/63/97/353966397.db2.gz CNDHQSGXRWJZHU-UHFFFAOYSA-N 1 2 240.351 1.201 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+](CC)CCCO ZINC000343700320 353966401 /nfs/dbraw/zinc/96/64/01/353966401.db2.gz CNDHQSGXRWJZHU-UHFFFAOYSA-N 1 2 240.351 1.201 20 0 BDADLO CC[C@H](O)CCNc1[nH+]cccc1OC ZINC000218868182 324279903 /nfs/dbraw/zinc/27/99/03/324279903.db2.gz GZOJLSIFDQZVMZ-VIFPVBQESA-N 1 2 210.277 1.663 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCS[C@H](C)C1 ZINC000334551844 353992089 /nfs/dbraw/zinc/99/20/89/353992089.db2.gz YCSVLXRXMNIJRK-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCS[C@H](C)C1 ZINC000334551844 353992092 /nfs/dbraw/zinc/99/20/92/353992092.db2.gz YCSVLXRXMNIJRK-SNVBAGLBSA-N 1 2 240.376 1.796 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343723697 353959191 /nfs/dbraw/zinc/95/91/91/353959191.db2.gz ZXZZGUSBILZXTP-NWDGAFQWSA-N 1 2 249.358 1.854 20 0 BDADLO Cc1cc(N2CCC[C@@](F)(CO)C2)nc[nH+]1 ZINC000343793958 353998774 /nfs/dbraw/zinc/99/87/74/353998774.db2.gz VMINLAYPCUTHLK-NSHDSACASA-N 1 2 225.267 1.086 20 0 BDADLO CN1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC1=O ZINC000334557444 354004271 /nfs/dbraw/zinc/00/42/71/354004271.db2.gz GRIKXYMPHZEGNV-STQMWFEESA-N 1 2 248.301 1.456 20 0 BDADLO CN1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC1=O ZINC000334557444 354004275 /nfs/dbraw/zinc/00/42/75/354004275.db2.gz GRIKXYMPHZEGNV-STQMWFEESA-N 1 2 248.301 1.456 20 0 BDADLO CCCCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449649158 201994682 /nfs/dbraw/zinc/99/46/82/201994682.db2.gz VOBYISSFUVNROS-SNVBAGLBSA-N 1 2 248.317 1.928 20 0 BDADLO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000343864917 354026683 /nfs/dbraw/zinc/02/66/83/354026683.db2.gz RFRYYWAUQVWZQM-MNOVXSKESA-N 1 2 245.330 1.930 20 0 BDADLO Cn1cc(C[N@H+](C)CCc2ccccc2O)nn1 ZINC000344171497 354171298 /nfs/dbraw/zinc/17/12/98/354171298.db2.gz ZWQFAUOMOWIWDB-UHFFFAOYSA-N 1 2 246.314 1.195 20 0 BDADLO Cn1cc(C[N@@H+](C)CCc2ccccc2O)nn1 ZINC000344171497 354171304 /nfs/dbraw/zinc/17/13/04/354171304.db2.gz ZWQFAUOMOWIWDB-UHFFFAOYSA-N 1 2 246.314 1.195 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129072 354147886 /nfs/dbraw/zinc/14/78/86/354147886.db2.gz XMBGUDZKYDMAGE-DTWKUNHWSA-N 1 2 242.298 1.438 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344129072 354147889 /nfs/dbraw/zinc/14/78/89/354147889.db2.gz XMBGUDZKYDMAGE-DTWKUNHWSA-N 1 2 242.298 1.438 20 0 BDADLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccn1 ZINC000344152858 354156516 /nfs/dbraw/zinc/15/65/16/354156516.db2.gz DWZNCKNAZVVPBK-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO Cc1noc(C[N@H+](C)CCc2ccccc2O)n1 ZINC000344153742 354157113 /nfs/dbraw/zinc/15/71/13/354157113.db2.gz RNYNFODJYXKOMX-UHFFFAOYSA-N 1 2 247.298 1.758 20 0 BDADLO Cc1noc(C[N@@H+](C)CCc2ccccc2O)n1 ZINC000344153742 354157115 /nfs/dbraw/zinc/15/71/15/354157115.db2.gz RNYNFODJYXKOMX-UHFFFAOYSA-N 1 2 247.298 1.758 20 0 BDADLO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)sn1 ZINC000639178702 354259038 /nfs/dbraw/zinc/25/90/38/354259038.db2.gz MOBRRBKBMXGPAO-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO Cc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)sn1 ZINC000639178702 354259039 /nfs/dbraw/zinc/25/90/39/354259039.db2.gz MOBRRBKBMXGPAO-VIFPVBQESA-N 1 2 239.344 1.162 20 0 BDADLO COC1(C)C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000639180611 354283191 /nfs/dbraw/zinc/28/31/91/354283191.db2.gz NYKJMODYBJGLFK-UHFFFAOYSA-N 1 2 208.261 1.008 20 0 BDADLO Cc1ncsc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000577962212 366145546 /nfs/dbraw/zinc/14/55/46/366145546.db2.gz OAHGACRMDKJUCJ-VIFPVBQESA-N 1 2 239.344 1.730 20 0 BDADLO Oc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000086452719 491061820 /nfs/dbraw/zinc/06/18/20/491061820.db2.gz KWXKPRZYKATKJP-UHFFFAOYSA-N 1 2 204.229 1.670 20 0 BDADLO CCc1cnccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000344750557 354350066 /nfs/dbraw/zinc/35/00/66/354350066.db2.gz GBMBYZMSLXIIBZ-UHFFFAOYSA-N 1 2 244.298 1.639 20 0 BDADLO Cc1cc(C[N@H+]2CCCc3c(cnn3C)C2)no1 ZINC000334647460 354438027 /nfs/dbraw/zinc/43/80/27/354438027.db2.gz UZKCWZRJVHWTQA-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO Cc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)no1 ZINC000334647460 354438029 /nfs/dbraw/zinc/43/80/29/354438029.db2.gz UZKCWZRJVHWTQA-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO CC1(CO)C[NH+](Cc2cccc(F)c2F)C1 ZINC000334648512 354439298 /nfs/dbraw/zinc/43/92/98/354439298.db2.gz VWTQDUCMCLXOAO-UHFFFAOYSA-N 1 2 227.254 1.779 20 0 BDADLO Cn1cc(C[NH+]2CC(C3CCCCC3)C2)nn1 ZINC000334648824 354440152 /nfs/dbraw/zinc/44/01/52/354440152.db2.gz ZUMDYCXQCXOSKO-UHFFFAOYSA-N 1 2 234.347 1.827 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cc2cnn[nH]2)C1 ZINC000334652520 354445851 /nfs/dbraw/zinc/44/58/51/354445851.db2.gz QSNRFKBIDRSMKF-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cc2cnn[nH]2)C1 ZINC000334652520 354445853 /nfs/dbraw/zinc/44/58/53/354445853.db2.gz QSNRFKBIDRSMKF-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000334652520 354445855 /nfs/dbraw/zinc/44/58/55/354445855.db2.gz QSNRFKBIDRSMKF-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cc2c[nH]nn2)C1 ZINC000334652520 354445857 /nfs/dbraw/zinc/44/58/57/354445857.db2.gz QSNRFKBIDRSMKF-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@]1(C)CCC[N@H+](Cc2cn[nH]n2)C1 ZINC000334652520 354445860 /nfs/dbraw/zinc/44/58/60/354445860.db2.gz QSNRFKBIDRSMKF-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@]1(C)CCC[N@@H+](Cc2cn[nH]n2)C1 ZINC000334652520 354445861 /nfs/dbraw/zinc/44/58/61/354445861.db2.gz QSNRFKBIDRSMKF-LLVKDONJSA-N 1 2 208.309 1.817 20 0 BDADLO Cn1ncnc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000639192298 354473457 /nfs/dbraw/zinc/47/34/57/354473457.db2.gz RQYSNYKMODHTSO-GFCCVEGCSA-N 1 2 232.331 1.580 20 0 BDADLO Cn1ncnc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000639192298 354473461 /nfs/dbraw/zinc/47/34/61/354473461.db2.gz RQYSNYKMODHTSO-GFCCVEGCSA-N 1 2 232.331 1.580 20 0 BDADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2F)cc[nH+]1 ZINC000334691399 354480489 /nfs/dbraw/zinc/48/04/89/354480489.db2.gz AERUJHHSTAJLMX-WDEREUQCSA-N 1 2 237.278 1.824 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCOC[C@@H]1C ZINC000334695239 354485967 /nfs/dbraw/zinc/48/59/67/354485967.db2.gz QDRZPGZVBGMGIE-JQWIXIFHSA-N 1 2 248.326 1.677 20 0 BDADLO O[C@]1(C(F)F)CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000334701655 354494502 /nfs/dbraw/zinc/49/45/02/354494502.db2.gz LDJCNGWFUQQFKW-LLVKDONJSA-N 1 2 246.232 1.423 20 0 BDADLO O[C@]1(C(F)F)CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000334701655 354494504 /nfs/dbraw/zinc/49/45/04/354494504.db2.gz LDJCNGWFUQQFKW-LLVKDONJSA-N 1 2 246.232 1.423 20 0 BDADLO CCc1cc(NC[C@H](COC)OC)nc[nH+]1 ZINC000227700644 491064445 /nfs/dbraw/zinc/06/44/45/491064445.db2.gz NQAZWHFAYWTSPN-SNVBAGLBSA-N 1 2 225.292 1.112 20 0 BDADLO CO[C@H]1C[C@@H](NC(=O)c2c[nH+]c(C)[nH]2)C12CCC2 ZINC000334717445 354516084 /nfs/dbraw/zinc/51/60/84/354516084.db2.gz WLZDVDFFRDLFCE-MNOVXSKESA-N 1 2 249.314 1.406 20 0 BDADLO C[C@@H]1CC=C(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000334724516 354524361 /nfs/dbraw/zinc/52/43/61/354524361.db2.gz MOTAAJZEXJKUCP-SECBINFHSA-N 1 2 219.288 1.772 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000335089642 354625038 /nfs/dbraw/zinc/62/50/38/354625038.db2.gz FYDWEFYJYDXOQM-VHSXEESVSA-N 1 2 239.294 1.565 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000335092104 354628433 /nfs/dbraw/zinc/62/84/33/354628433.db2.gz LJBTZRFZGJORKL-GHMZBOCLSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335095062 354633970 /nfs/dbraw/zinc/63/39/70/354633970.db2.gz HHMPZQXYVUNGLF-ONGXEEELSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335095062 354633972 /nfs/dbraw/zinc/63/39/72/354633972.db2.gz HHMPZQXYVUNGLF-ONGXEEELSA-N 1 2 221.304 1.852 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H](F)C1 ZINC000335096453 354636268 /nfs/dbraw/zinc/63/62/68/354636268.db2.gz MTPSKJWELNTEOY-RKDXNWHRSA-N 1 2 225.267 1.554 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H](F)C1 ZINC000335096453 354636272 /nfs/dbraw/zinc/63/62/72/354636272.db2.gz MTPSKJWELNTEOY-RKDXNWHRSA-N 1 2 225.267 1.554 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335097452 354637498 /nfs/dbraw/zinc/63/74/98/354637498.db2.gz JYTXMTMCVVQTAJ-LURJTMIESA-N 1 2 217.219 1.992 20 0 BDADLO C[C@H]1CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000335097452 354637501 /nfs/dbraw/zinc/63/75/01/354637501.db2.gz JYTXMTMCVVQTAJ-LURJTMIESA-N 1 2 217.219 1.992 20 0 BDADLO CC[C@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345426806 354654601 /nfs/dbraw/zinc/65/46/01/354654601.db2.gz KKFIJUDHHHNIMV-RYUDHWBXSA-N 1 2 242.363 1.212 20 0 BDADLO FC(F)c1noc(C[NH+]2CCCC2)n1 ZINC000335100925 354710480 /nfs/dbraw/zinc/71/04/80/354710480.db2.gz RFIAPEHDESBVHU-UHFFFAOYSA-N 1 2 203.192 1.603 20 0 BDADLO C[C@H]1C[N@H+](CCOC(C)(C)C)CC[S@]1=O ZINC000345729181 354745992 /nfs/dbraw/zinc/74/59/92/354745992.db2.gz OFHYBWLKZZDHIP-ZUZCIYMTSA-N 1 2 233.377 1.254 20 0 BDADLO C[C@H]1C[N@@H+](CCOC(C)(C)C)CC[S@]1=O ZINC000345729181 354745996 /nfs/dbraw/zinc/74/59/96/354745996.db2.gz OFHYBWLKZZDHIP-ZUZCIYMTSA-N 1 2 233.377 1.254 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](C)CCOC(C)(C)C ZINC000345729990 354746128 /nfs/dbraw/zinc/74/61/28/354746128.db2.gz OWYKRFXGPVZPRB-JTQLQIEISA-N 1 2 231.336 1.685 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000345729990 354746129 /nfs/dbraw/zinc/74/61/29/354746129.db2.gz OWYKRFXGPVZPRB-JTQLQIEISA-N 1 2 231.336 1.685 20 0 BDADLO CCOC(=O)CCC[NH2+][C@](C)(CC)C(=O)OC ZINC000345670934 354741001 /nfs/dbraw/zinc/74/10/01/354741001.db2.gz XYANHJQDGZGLLU-GFCCVEGCSA-N 1 2 245.319 1.261 20 0 BDADLO CC[N@H+](CCOCC(C)C)CC(=O)OC ZINC000233460902 363402438 /nfs/dbraw/zinc/40/24/38/363402438.db2.gz OQYAXKAZHWWDEZ-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO CC[N@@H+](CCOCC(C)C)CC(=O)OC ZINC000233460902 363402441 /nfs/dbraw/zinc/40/24/41/363402441.db2.gz OQYAXKAZHWWDEZ-UHFFFAOYSA-N 1 2 217.309 1.154 20 0 BDADLO COCCc1nc(C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000345964949 354822829 /nfs/dbraw/zinc/82/28/29/354822829.db2.gz QPPIDRZWAVNQLR-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO COCCc1nc(C[N@H+]2CCCC[C@@H]2C)no1 ZINC000345964949 354822830 /nfs/dbraw/zinc/82/28/30/354822830.db2.gz QPPIDRZWAVNQLR-JTQLQIEISA-N 1 2 239.319 1.633 20 0 BDADLO COc1cncc(C[N@@H+]2CCOC[C@@H]2C)c1C ZINC000639217103 354866565 /nfs/dbraw/zinc/86/65/65/354866565.db2.gz FOBYBCKPCLBROP-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO COc1cncc(C[N@H+]2CCOC[C@@H]2C)c1C ZINC000639217103 354866568 /nfs/dbraw/zinc/86/65/68/354866568.db2.gz FOBYBCKPCLBROP-JTQLQIEISA-N 1 2 236.315 1.619 20 0 BDADLO Fc1ccccc1[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000335140334 354844284 /nfs/dbraw/zinc/84/42/84/354844284.db2.gz DCKSTVFTEPQKRB-SNVBAGLBSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000335140334 354844287 /nfs/dbraw/zinc/84/42/87/354844287.db2.gz DCKSTVFTEPQKRB-SNVBAGLBSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000335140334 354844291 /nfs/dbraw/zinc/84/42/91/354844291.db2.gz DCKSTVFTEPQKRB-SNVBAGLBSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000335140334 354844293 /nfs/dbraw/zinc/84/42/93/354844293.db2.gz DCKSTVFTEPQKRB-SNVBAGLBSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC000335140334 354844297 /nfs/dbraw/zinc/84/42/97/354844297.db2.gz DCKSTVFTEPQKRB-SNVBAGLBSA-N 1 2 246.289 1.933 20 0 BDADLO Fc1ccccc1[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC000335140334 354844300 /nfs/dbraw/zinc/84/43/00/354844300.db2.gz DCKSTVFTEPQKRB-SNVBAGLBSA-N 1 2 246.289 1.933 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1c2c(nn1C)CCCC2 ZINC000639217084 354852907 /nfs/dbraw/zinc/85/29/07/354852907.db2.gz FBXSHCRAXUNSOV-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1c2c(nn1C)CCCC2 ZINC000639217084 354852908 /nfs/dbraw/zinc/85/29/08/354852908.db2.gz FBXSHCRAXUNSOV-NSHDSACASA-N 1 2 249.358 1.520 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C1CC1 ZINC000234582372 363425174 /nfs/dbraw/zinc/42/51/74/363425174.db2.gz BDKDCRNUFVRTQI-UISBYWKRSA-N 1 2 227.304 1.095 20 0 BDADLO C[C@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000335952638 134022268 /nfs/dbraw/zinc/02/22/68/134022268.db2.gz GKBSFLGPQKEVSD-IUCAKERBSA-N 1 2 207.277 1.462 20 0 BDADLO CC(C)(C(=O)NCc1ccc[nH]1)c1c[nH]c[nH+]1 ZINC000346388876 354907632 /nfs/dbraw/zinc/90/76/32/354907632.db2.gz XKHQBLGMHIRRHJ-UHFFFAOYSA-N 1 2 232.287 1.332 20 0 BDADLO CCCSCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346408652 354912823 /nfs/dbraw/zinc/91/28/23/354912823.db2.gz OUGPPOHRRPMPHN-UHFFFAOYSA-N 1 2 227.333 1.511 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000185814200 535273174 /nfs/dbraw/zinc/27/31/74/535273174.db2.gz YSNSYROJRFRDOF-UWVGGRQHSA-N 1 2 221.304 1.361 20 0 BDADLO CCn1cncc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000335175016 354942373 /nfs/dbraw/zinc/94/23/73/354942373.db2.gz BRKDUOBCXBEXKN-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1cncc1C[N@H+]1CCOC2(CCC2)C1 ZINC000335175016 354942374 /nfs/dbraw/zinc/94/23/74/354942374.db2.gz BRKDUOBCXBEXKN-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO CCn1c[nH+]cc1CN1CCOC2(CCC2)C1 ZINC000335175016 354942375 /nfs/dbraw/zinc/94/23/75/354942375.db2.gz BRKDUOBCXBEXKN-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO C[C@@H](O)[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000335176810 354945779 /nfs/dbraw/zinc/94/57/79/354945779.db2.gz QJANYLWQBRHYHJ-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000335176810 354945783 /nfs/dbraw/zinc/94/57/83/354945783.db2.gz QJANYLWQBRHYHJ-ZWNOBZJWSA-N 1 2 239.290 1.407 20 0 BDADLO COC(C)(C)CC[N@H+](C)Cc1noc(C)n1 ZINC000346548558 354983767 /nfs/dbraw/zinc/98/37/67/354983767.db2.gz BLWXJIGBTWBQOC-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO COC(C)(C)CC[N@@H+](C)Cc1noc(C)n1 ZINC000346548558 354983770 /nfs/dbraw/zinc/98/37/70/354983770.db2.gz BLWXJIGBTWBQOC-UHFFFAOYSA-N 1 2 227.308 1.625 20 0 BDADLO Cc1cc(N2C[C@H](C)OC[C@H]2C)nc[nH+]1 ZINC000346596822 354988461 /nfs/dbraw/zinc/98/84/61/354988461.db2.gz VCHANPIPHSJICK-ZJUUUORDSA-N 1 2 207.277 1.399 20 0 BDADLO O[C@H](C[N@@H+]1CCC=C(F)C1)CC(F)(F)F ZINC000346620221 354995052 /nfs/dbraw/zinc/99/50/52/354995052.db2.gz RDOLCEZODMHLLZ-QMMMGPOBSA-N 1 2 227.201 1.859 20 0 BDADLO O[C@H](C[N@H+]1CCC=C(F)C1)CC(F)(F)F ZINC000346620221 354995055 /nfs/dbraw/zinc/99/50/55/354995055.db2.gz RDOLCEZODMHLLZ-QMMMGPOBSA-N 1 2 227.201 1.859 20 0 BDADLO COC(=O)c1ccccc1COCc1[nH]cc[nH+]1 ZINC000346626361 354996712 /nfs/dbraw/zinc/99/67/12/354996712.db2.gz NHHSAMMCYDDNCV-UHFFFAOYSA-N 1 2 246.266 1.913 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335206749 355042842 /nfs/dbraw/zinc/04/28/42/355042842.db2.gz DFUQPBMZQWCKAA-VXGBXAGGSA-N 1 2 247.342 1.847 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cc(OC)no1 ZINC000346673593 355008227 /nfs/dbraw/zinc/00/82/27/355008227.db2.gz YSCDIAYQDUFLHO-UHFFFAOYSA-N 1 2 247.254 1.315 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1ccncc1F ZINC000335183052 355081222 /nfs/dbraw/zinc/08/12/22/355081222.db2.gz ZRVYGCAPGAGODW-UHFFFAOYSA-N 1 2 245.257 1.852 20 0 BDADLO COc1cncc(C[N@@H+]2CC[C@H](F)C2)c1C ZINC000639227604 355051798 /nfs/dbraw/zinc/05/17/98/355051798.db2.gz KYIAIYGEIVADLO-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO COc1cncc(C[N@H+]2CC[C@H](F)C2)c1C ZINC000639227604 355051801 /nfs/dbraw/zinc/05/18/01/355051801.db2.gz KYIAIYGEIVADLO-NSHDSACASA-N 1 2 224.279 1.942 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CS[C@H](C)C2)c[nH+]1 ZINC000335218938 355057917 /nfs/dbraw/zinc/05/79/17/355057917.db2.gz HSLNWDNMILJCGL-SVRRBLITSA-N 1 2 225.317 1.342 20 0 BDADLO Cc1cc(-c2nc(Cc3c[nH+]cn3C)no2)co1 ZINC000346953362 355166259 /nfs/dbraw/zinc/16/62/59/355166259.db2.gz YYOSAAFHPOHJKO-UHFFFAOYSA-N 1 2 244.254 1.962 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)Cc1cncc(F)c1 ZINC000346833912 355130868 /nfs/dbraw/zinc/13/08/68/355130868.db2.gz XEQKJLBPLYEKMY-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)Cc1cncc(F)c1 ZINC000346833912 355130870 /nfs/dbraw/zinc/13/08/70/355130870.db2.gz XEQKJLBPLYEKMY-UHFFFAOYSA-N 1 2 239.294 1.177 20 0 BDADLO CC[N@H+](Cc1cnn(C)c1)Cc1cncc(F)c1 ZINC000346885960 355144591 /nfs/dbraw/zinc/14/45/91/355144591.db2.gz UYJLBGVXMNCPQU-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO CC[N@@H+](Cc1cnn(C)c1)Cc1cncc(F)c1 ZINC000346885960 355144595 /nfs/dbraw/zinc/14/45/95/355144595.db2.gz UYJLBGVXMNCPQU-UHFFFAOYSA-N 1 2 248.305 1.976 20 0 BDADLO C[C@H](CCO)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413151755 191356620 /nfs/dbraw/zinc/35/66/20/191356620.db2.gz BDECJYBFGZYFOD-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@H](CCO)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413151755 191356622 /nfs/dbraw/zinc/35/66/22/191356622.db2.gz BDECJYBFGZYFOD-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H](O)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413134934 191358759 /nfs/dbraw/zinc/35/87/59/191358759.db2.gz FQBXAXCALDRTKM-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO C[C@@H](O)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413134934 191358760 /nfs/dbraw/zinc/35/87/60/191358760.db2.gz FQBXAXCALDRTKM-MRVPVSSYSA-N 1 2 222.292 1.234 20 0 BDADLO COC[C@H]([NH2+]Cc1cc(C)n(C)n1)c1ccco1 ZINC000347617493 355236429 /nfs/dbraw/zinc/23/64/29/355236429.db2.gz RBMUUILRLLBERL-LBPRGKRZSA-N 1 2 249.314 1.799 20 0 BDADLO Cn1c(CCSCC(N)=O)[nH+]c2ccccc21 ZINC000413019273 191341973 /nfs/dbraw/zinc/34/19/73/191341973.db2.gz PCJWDVNXUMFBPR-UHFFFAOYSA-N 1 2 249.339 1.334 20 0 BDADLO CC(C)CCOCC[N@H+](C)Cc1nncn1C ZINC000347632487 355241936 /nfs/dbraw/zinc/24/19/36/355241936.db2.gz CPUXNCAZONWXLE-UHFFFAOYSA-N 1 2 240.351 1.310 20 0 BDADLO CC(C)CCOCC[N@@H+](C)Cc1nncn1C ZINC000347632487 355241938 /nfs/dbraw/zinc/24/19/38/355241938.db2.gz CPUXNCAZONWXLE-UHFFFAOYSA-N 1 2 240.351 1.310 20 0 BDADLO CC[C@@H]1OCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000413441801 191383936 /nfs/dbraw/zinc/38/39/36/191383936.db2.gz CJMCNWFBVPYOKE-ZJUUUORDSA-N 1 2 207.277 1.764 20 0 BDADLO CN(c1[nH+]cnc2c1cnn2C)C1CC(C)(C)C1 ZINC000413443943 191384261 /nfs/dbraw/zinc/38/42/61/191384261.db2.gz RSFIIHSHCOIWLT-UHFFFAOYSA-N 1 2 245.330 1.988 20 0 BDADLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccn(C)n1 ZINC000347675750 355261973 /nfs/dbraw/zinc/26/19/73/355261973.db2.gz LIRMYUITKYCLQN-JTQLQIEISA-N 1 2 233.319 1.347 20 0 BDADLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccn(C)n1 ZINC000347675750 355261975 /nfs/dbraw/zinc/26/19/75/355261975.db2.gz LIRMYUITKYCLQN-JTQLQIEISA-N 1 2 233.319 1.347 20 0 BDADLO CCc1ccc(C[N@H+](C)CC(=O)N(C)C)cn1 ZINC000347683365 355267602 /nfs/dbraw/zinc/26/76/02/355267602.db2.gz NQCCKKQZBWQMIB-UHFFFAOYSA-N 1 2 235.331 1.164 20 0 BDADLO CCc1ccc(C[N@@H+](C)CC(=O)N(C)C)cn1 ZINC000347683365 355267604 /nfs/dbraw/zinc/26/76/04/355267604.db2.gz NQCCKKQZBWQMIB-UHFFFAOYSA-N 1 2 235.331 1.164 20 0 BDADLO Cc1cc(NCC(C)(C)OCC2CC2)nc[nH+]1 ZINC000413518680 191391531 /nfs/dbraw/zinc/39/15/31/191391531.db2.gz JCZMBROZBYPCHJ-UHFFFAOYSA-N 1 2 235.331 1.824 20 0 BDADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@@H](O)C(C)C ZINC000413532670 191392490 /nfs/dbraw/zinc/39/24/90/191392490.db2.gz BANHZSDBNGITAU-PWSUYJOCSA-N 1 2 223.320 1.992 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H](C)O[C@H]2C)cc[nH+]1 ZINC000413531581 191392651 /nfs/dbraw/zinc/39/26/51/191392651.db2.gz LYOXCKNRJRRGCC-YWVKMMECSA-N 1 2 221.304 1.432 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@H](O)C(C)C ZINC000413542311 191395014 /nfs/dbraw/zinc/39/50/14/191395014.db2.gz NQMLGJRWYGUZMH-WCQYABFASA-N 1 2 249.358 1.983 20 0 BDADLO CC[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1O ZINC000413196606 191361930 /nfs/dbraw/zinc/36/19/30/191361930.db2.gz AAHWVWCDYIMOKK-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO CC[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1O ZINC000413196606 191361933 /nfs/dbraw/zinc/36/19/33/191361933.db2.gz AAHWVWCDYIMOKK-GXSJLCMTSA-N 1 2 248.330 1.258 20 0 BDADLO Cc1nc(N2CC(C)(C)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000413566998 191398234 /nfs/dbraw/zinc/39/82/34/191398234.db2.gz XTJQDIYXRAFUEX-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC(C)(C)C[C@H]2C)[nH+]1 ZINC000413566998 191398236 /nfs/dbraw/zinc/39/82/36/191398236.db2.gz XTJQDIYXRAFUEX-SECBINFHSA-N 1 2 249.362 1.871 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1CO ZINC000413273180 191368043 /nfs/dbraw/zinc/36/80/43/191368043.db2.gz YVJCQMXFRNCIIB-ZJUUUORDSA-N 1 2 248.330 1.116 20 0 BDADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1CO ZINC000413273180 191368044 /nfs/dbraw/zinc/36/80/44/191368044.db2.gz YVJCQMXFRNCIIB-ZJUUUORDSA-N 1 2 248.330 1.116 20 0 BDADLO CC/C=C\CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413315462 191371388 /nfs/dbraw/zinc/37/13/88/191371388.db2.gz OBHUHAMNVCJHEB-LWTINBJPSA-N 1 2 236.319 1.069 20 0 BDADLO CC/C=C\CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413315462 191371391 /nfs/dbraw/zinc/37/13/91/191371391.db2.gz OBHUHAMNVCJHEB-LWTINBJPSA-N 1 2 236.319 1.069 20 0 BDADLO Cc1ccc(CCNc2ncc(C)c(C)n2)[nH+]c1 ZINC000413352225 191373365 /nfs/dbraw/zinc/37/33/65/191373365.db2.gz MXKHUUKCEQEKPJ-UHFFFAOYSA-N 1 2 242.326 1.873 20 0 BDADLO CCC1CN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000413359687 191375333 /nfs/dbraw/zinc/37/53/33/191375333.db2.gz HSLVBKKJWLWENK-UHFFFAOYSA-N 1 2 221.308 1.092 20 0 BDADLO CCC1CN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000413359687 191375336 /nfs/dbraw/zinc/37/53/36/191375336.db2.gz HSLVBKKJWLWENK-UHFFFAOYSA-N 1 2 221.308 1.092 20 0 BDADLO C[C@H]1CC[C@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000413370313 191376913 /nfs/dbraw/zinc/37/69/13/191376913.db2.gz CHSRZECLBXSVNL-GXSJLCMTSA-N 1 2 233.315 1.755 20 0 BDADLO C[C@H]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000413370320 191377220 /nfs/dbraw/zinc/37/72/20/191377220.db2.gz CHSRZECLBXSVNL-ONGXEEELSA-N 1 2 233.315 1.755 20 0 BDADLO CC(C)n1ncnc1C[NH+]1CC(C(C)(C)O)C1 ZINC000639252543 355288576 /nfs/dbraw/zinc/28/85/76/355288576.db2.gz JTXZKWFNRZDRNJ-UHFFFAOYSA-N 1 2 238.335 1.062 20 0 BDADLO C[C@@H]([NH2+]Cc1cocn1)C(=O)Nc1ccccc1 ZINC000191097943 355310401 /nfs/dbraw/zinc/31/04/01/355310401.db2.gz OBQNJJXHXFPAAJ-SNVBAGLBSA-N 1 2 245.282 1.791 20 0 BDADLO Cn1ncc2c1CCC[N@H+](Cc1ccon1)C2 ZINC000639261049 355311024 /nfs/dbraw/zinc/31/10/24/355311024.db2.gz KJQFHHDWJSVDKB-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO Cn1ncc2c1CCC[N@@H+](Cc1ccon1)C2 ZINC000639261049 355311026 /nfs/dbraw/zinc/31/10/26/355311026.db2.gz KJQFHHDWJSVDKB-UHFFFAOYSA-N 1 2 232.287 1.357 20 0 BDADLO CCC[C@@H](C[NH+]1CC(OC(F)F)C1)OC ZINC000639262855 355317301 /nfs/dbraw/zinc/31/73/01/355317301.db2.gz BHNFRSXJQFPPAP-QMMMGPOBSA-N 1 2 223.263 1.725 20 0 BDADLO Cc1cc(CNC(=O)N[C@H]2C[C@@H](O)C2)cc(C)[nH+]1 ZINC000335616134 355322499 /nfs/dbraw/zinc/32/24/99/355322499.db2.gz ZCDBAQSBZJEPQG-TXEJJXNPSA-N 1 2 249.314 1.021 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)o1 ZINC000639247748 355276533 /nfs/dbraw/zinc/27/65/33/355276533.db2.gz YLMJYELQRVMWQG-MNOVXSKESA-N 1 2 249.314 1.226 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[C@H]1C ZINC000349680916 355409938 /nfs/dbraw/zinc/40/99/38/355409938.db2.gz SGUWBJIYUYLDHY-MXWKQRLJSA-N 1 2 236.319 1.369 20 0 BDADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000582168747 355417765 /nfs/dbraw/zinc/41/77/65/355417765.db2.gz JEXGLERZWQIHEY-IWIIMEHWSA-N 1 2 240.347 1.500 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ncccc1F ZINC000349745862 355422648 /nfs/dbraw/zinc/42/26/48/355422648.db2.gz PPJPBQMPPUXBNF-UHFFFAOYSA-N 1 2 248.261 1.145 20 0 BDADLO Cc1[nH+]cccc1Cc1nc(-c2ncc[nH]2)no1 ZINC000349752788 355423359 /nfs/dbraw/zinc/42/33/59/355423359.db2.gz GQIUCLKKWFORRM-UHFFFAOYSA-N 1 2 241.254 1.754 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)c2cncs2)CC[N@H+]1C ZINC000335790238 355441425 /nfs/dbraw/zinc/44/14/25/355441425.db2.gz YPIMJFJZWRREKT-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO C[C@@H]1[C@H](C)N(C(=O)c2cncs2)CC[N@@H+]1C ZINC000335790238 355441426 /nfs/dbraw/zinc/44/14/26/355441426.db2.gz YPIMJFJZWRREKT-BDAKNGLRSA-N 1 2 239.344 1.308 20 0 BDADLO Cn1nccc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335812133 355498562 /nfs/dbraw/zinc/49/85/62/355498562.db2.gz WBCFALBAQMMFIW-SECBINFHSA-N 1 2 245.286 1.121 20 0 BDADLO Cc1oncc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335813562 355501205 /nfs/dbraw/zinc/50/12/05/355501205.db2.gz CAHRKKFXQJNOMB-NEPJUHHUSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1oncc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335813562 355501208 /nfs/dbraw/zinc/50/12/08/355501208.db2.gz CAHRKKFXQJNOMB-NEPJUHHUSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2CSC[C@H]2C)c[nH+]1 ZINC000335813877 355502018 /nfs/dbraw/zinc/50/20/18/355502018.db2.gz YGGVQYOQFUZONT-HZGVNTEJSA-N 1 2 225.317 1.199 20 0 BDADLO c1c[nH]c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000335795131 355451030 /nfs/dbraw/zinc/45/10/30/355451030.db2.gz JJROQFNFBVKHAW-WCQYABFASA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH]c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000335795131 355451031 /nfs/dbraw/zinc/45/10/31/355451031.db2.gz JJROQFNFBVKHAW-WCQYABFASA-N 1 2 247.342 1.943 20 0 BDADLO c1c[nH+]c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)[nH]1 ZINC000335795131 355451036 /nfs/dbraw/zinc/45/10/36/355451036.db2.gz JJROQFNFBVKHAW-WCQYABFASA-N 1 2 247.342 1.943 20 0 BDADLO CC[C@@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335795346 355451429 /nfs/dbraw/zinc/45/14/29/355451429.db2.gz KXPFCKJTIDLFHR-GHMZBOCLSA-N 1 2 235.331 1.702 20 0 BDADLO C[C@@]1(F)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000335814805 355503651 /nfs/dbraw/zinc/50/36/51/355503651.db2.gz JAMFYBJQAXVOFK-CYBMUJFWSA-N 1 2 247.273 1.908 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CCCC2 ZINC000353956568 355459621 /nfs/dbraw/zinc/45/96/21/355459621.db2.gz VBHFNADGUHIEMS-VXGBXAGGSA-N 1 2 247.342 1.968 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335821394 355540263 /nfs/dbraw/zinc/54/02/63/355540263.db2.gz DMDUXXPYLCECTH-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1O ZINC000335821394 355540267 /nfs/dbraw/zinc/54/02/67/355540267.db2.gz DMDUXXPYLCECTH-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[NH2+]Cc1noc(COCCc2ccccc2)n1 ZINC000349886276 355518444 /nfs/dbraw/zinc/51/84/44/355518444.db2.gz VXLOECALBUEVEU-UHFFFAOYSA-N 1 2 247.298 1.548 20 0 BDADLO C[NH2+]Cc1noc(COc2cccc(F)c2)n1 ZINC000349900416 355522304 /nfs/dbraw/zinc/52/23/04/355522304.db2.gz YJWJIZNATMSCNH-UHFFFAOYSA-N 1 2 237.234 1.507 20 0 BDADLO C[NH2+]Cc1noc([C@H](C)Oc2ccccc2)n1 ZINC000349904244 355523242 /nfs/dbraw/zinc/52/32/42/355523242.db2.gz CHBFOLYCYSCXHL-VIFPVBQESA-N 1 2 233.271 1.929 20 0 BDADLO Cc1nccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000350125749 355608853 /nfs/dbraw/zinc/60/88/53/355608853.db2.gz SNPGOWONPCRTFA-UWVGGRQHSA-N 1 2 221.304 1.394 20 0 BDADLO Cn1c[nH+]cc1CSCC(=O)OC(C)(C)C ZINC000350019659 355577002 /nfs/dbraw/zinc/57/70/02/355577002.db2.gz QMQJHWCGCAAZFO-UHFFFAOYSA-N 1 2 242.344 1.995 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)C1CC2(CCC2)C1 ZINC000582182234 355650017 /nfs/dbraw/zinc/65/00/17/355650017.db2.gz AUJIJQPXEFDCPV-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO Cc1conc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582184451 355660152 /nfs/dbraw/zinc/66/01/52/355660152.db2.gz BJRXMAHILRNFAE-VIFPVBQESA-N 1 2 234.259 1.769 20 0 BDADLO CC(C)[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000335867722 355633017 /nfs/dbraw/zinc/63/30/17/355633017.db2.gz ABRQHBZZQWJKLE-JTQLQIEISA-N 1 2 209.293 1.267 20 0 BDADLO C[C@H]1CCN(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000336008196 134049685 /nfs/dbraw/zinc/04/96/85/134049685.db2.gz BYIYUSHHQHFKJB-JTQLQIEISA-N 1 2 234.303 1.161 20 0 BDADLO NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCOCC1CC1 ZINC000331649280 181205507 /nfs/dbraw/zinc/20/55/07/181205507.db2.gz KVMVOPQOBXTEMR-ZJUUUORDSA-N 1 2 230.283 1.361 20 0 BDADLO NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCOCC1CC1 ZINC000331649280 181205509 /nfs/dbraw/zinc/20/55/09/181205509.db2.gz KVMVOPQOBXTEMR-ZJUUUORDSA-N 1 2 230.283 1.361 20 0 BDADLO CC(C)c1cc(N2CCS(=O)CC2)nc[nH+]1 ZINC000350730895 355751435 /nfs/dbraw/zinc/75/14/35/355751435.db2.gz WGLUDHSCYZMDNX-UHFFFAOYSA-N 1 2 239.344 1.169 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc2ccccc2n1C ZINC000639332552 355759591 /nfs/dbraw/zinc/75/95/91/355759591.db2.gz MYJOVCIPJRZHGN-UHFFFAOYSA-N 1 2 245.326 1.356 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc2ccccc2n1C ZINC000639332552 355759594 /nfs/dbraw/zinc/75/95/94/355759594.db2.gz MYJOVCIPJRZHGN-UHFFFAOYSA-N 1 2 245.326 1.356 20 0 BDADLO CC[C@@](C)(C[N@H+](C)Cc1noc(C)n1)OC ZINC000639332880 355759626 /nfs/dbraw/zinc/75/96/26/355759626.db2.gz PYSSWUQLWUNHPQ-NSHDSACASA-N 1 2 227.308 1.625 20 0 BDADLO CC[C@@](C)(C[N@@H+](C)Cc1noc(C)n1)OC ZINC000639332880 355759629 /nfs/dbraw/zinc/75/96/29/355759629.db2.gz PYSSWUQLWUNHPQ-NSHDSACASA-N 1 2 227.308 1.625 20 0 BDADLO COc1cc(C[NH2+]Cc2c[nH]nc2C)on1 ZINC000639325608 355724361 /nfs/dbraw/zinc/72/43/61/355724361.db2.gz RZQJFAHNRNQRIP-UHFFFAOYSA-N 1 2 222.248 1.005 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1N)c1nccn1C ZINC000639327268 355729852 /nfs/dbraw/zinc/72/98/52/355729852.db2.gz NJKPANQZJYJSND-VIFPVBQESA-N 1 2 248.305 1.992 20 0 BDADLO COC[C@@H](C)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000608497750 355824197 /nfs/dbraw/zinc/82/41/97/355824197.db2.gz ZBRSXZIXLFCIAJ-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO COC[C@@H](C)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000608497750 355824198 /nfs/dbraw/zinc/82/41/98/355824198.db2.gz ZBRSXZIXLFCIAJ-SFYZADRCSA-N 1 2 227.226 1.284 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336024936 134056905 /nfs/dbraw/zinc/05/69/05/134056905.db2.gz NKNNLJDRCVNGTJ-NXEZZACHSA-N 1 2 219.288 1.271 20 0 BDADLO O=C(CCCn1cc[nH+]c1)Nc1ncccn1 ZINC000623249308 355799826 /nfs/dbraw/zinc/79/98/26/355799826.db2.gz DYDWNVDAJJPRNX-UHFFFAOYSA-N 1 2 231.259 1.092 20 0 BDADLO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363364 355846967 /nfs/dbraw/zinc/84/69/67/355846967.db2.gz HNCLGJURDYTWOY-GHMZBOCLSA-N 1 2 208.309 1.719 20 0 BDADLO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363364 355846969 /nfs/dbraw/zinc/84/69/69/355846969.db2.gz HNCLGJURDYTWOY-GHMZBOCLSA-N 1 2 208.309 1.719 20 0 BDADLO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1c[nH]nn1 ZINC000628363514 355848437 /nfs/dbraw/zinc/84/84/37/355848437.db2.gz NCPFBKVOYWYRLL-MNOVXSKESA-N 1 2 208.309 1.863 20 0 BDADLO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cn[nH]n1 ZINC000628363514 355848441 /nfs/dbraw/zinc/84/84/41/355848441.db2.gz NCPFBKVOYWYRLL-MNOVXSKESA-N 1 2 208.309 1.863 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254483 355854910 /nfs/dbraw/zinc/85/49/10/355854910.db2.gz DBKKIAFPQNCTGJ-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO NC(=O)C1([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000336688006 181214895 /nfs/dbraw/zinc/21/48/95/181214895.db2.gz USRRFXPNCSWTIM-UHFFFAOYSA-N 1 2 242.681 1.587 20 0 BDADLO NC(=O)C1([NH2+]Cc2ccsc2Cl)CC1 ZINC000308521649 181214943 /nfs/dbraw/zinc/21/49/43/181214943.db2.gz SUUBJVXKZSXGJB-UHFFFAOYSA-N 1 2 230.720 1.509 20 0 BDADLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ncc[nH]1 ZINC000639371209 355866851 /nfs/dbraw/zinc/86/68/51/355866851.db2.gz LGDXDUPHNQOSFZ-UHFFFAOYSA-N 1 2 233.319 1.785 20 0 BDADLO CN(C)c1ncc(C[NH2+]Cc2ncc[nH]2)s1 ZINC000639372545 355875621 /nfs/dbraw/zinc/87/56/21/355875621.db2.gz QWJWTPDTYTXDFA-UHFFFAOYSA-N 1 2 237.332 1.222 20 0 BDADLO CC1([NH2+]Cc2ccc(Br)o2)COC1 ZINC000639381583 355922181 /nfs/dbraw/zinc/92/21/81/355922181.db2.gz YMJGUNCNCLILGE-UHFFFAOYSA-N 1 2 246.104 1.921 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(C[C@@H]2CCCO2)n1 ZINC000351426950 355989476 /nfs/dbraw/zinc/98/94/76/355989476.db2.gz KOPCQJHXYWCWFU-JTQLQIEISA-N 1 2 248.286 1.115 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000351488565 355999552 /nfs/dbraw/zinc/99/95/52/355999552.db2.gz AVRIELWHSSBGRC-GMXVVIOVSA-N 1 2 243.347 1.469 20 0 BDADLO CC[C@@H](C)C[N@H+](C)Cc1noc(CCOC)n1 ZINC000351492271 356001287 /nfs/dbraw/zinc/00/12/87/356001287.db2.gz RGFMNVIZJQLKAB-SNVBAGLBSA-N 1 2 241.335 1.736 20 0 BDADLO CC[C@@H](C)C[N@@H+](C)Cc1noc(CCOC)n1 ZINC000351492271 356001294 /nfs/dbraw/zinc/00/12/94/356001294.db2.gz RGFMNVIZJQLKAB-SNVBAGLBSA-N 1 2 241.335 1.736 20 0 BDADLO COCC1(C2CC2)C[NH+](Cc2nc(C)c[nH]2)C1 ZINC000639383314 355949131 /nfs/dbraw/zinc/94/91/31/355949131.db2.gz YZBHENMNQRFTKZ-UHFFFAOYSA-N 1 2 235.331 1.577 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N1CCC12CCC2 ZINC000583650710 355968762 /nfs/dbraw/zinc/96/87/62/355968762.db2.gz QIKAQGQVPADRTH-UHFFFAOYSA-N 1 2 219.288 1.118 20 0 BDADLO CC[C@H](O)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747707 355971057 /nfs/dbraw/zinc/97/10/57/355971057.db2.gz BXGWBFURJZIWON-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO CC[C@H](O)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608747707 355971060 /nfs/dbraw/zinc/97/10/60/355971060.db2.gz BXGWBFURJZIWON-CIUDSAMLSA-N 1 2 241.253 1.409 20 0 BDADLO COC[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748636 355972454 /nfs/dbraw/zinc/97/24/54/355972454.db2.gz FVOOJKRVNAULNG-YIZRAAEISA-N 1 2 241.253 1.673 20 0 BDADLO COC[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748636 355972457 /nfs/dbraw/zinc/97/24/57/355972457.db2.gz FVOOJKRVNAULNG-YIZRAAEISA-N 1 2 241.253 1.673 20 0 BDADLO CCN1CC[N@H+](CCc2ccncc2)[C@H](C)C1=O ZINC000351622380 356032174 /nfs/dbraw/zinc/03/21/74/356032174.db2.gz SIYICANFWPAHLT-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO CCN1CC[N@@H+](CCc2ccncc2)[C@H](C)C1=O ZINC000351622380 356032177 /nfs/dbraw/zinc/03/21/77/356032177.db2.gz SIYICANFWPAHLT-GFCCVEGCSA-N 1 2 247.342 1.177 20 0 BDADLO NC(=O)COc1ccc([NH2+]CC2CC2)cc1 ZINC000037041434 181239097 /nfs/dbraw/zinc/23/90/97/181239097.db2.gz MFDCYAVLNKAHNU-UHFFFAOYSA-N 1 2 220.272 1.373 20 0 BDADLO CN(C)c1[nH+]cc(CN2CC(C)(C)C2)n1C ZINC000639393515 356059210 /nfs/dbraw/zinc/05/92/10/356059210.db2.gz LUSNNEOPKLBKSE-UHFFFAOYSA-N 1 2 222.336 1.328 20 0 BDADLO Cc1nc([C@H](C)[NH+]2CCC(C)(O)CC2)no1 ZINC000351527336 356009310 /nfs/dbraw/zinc/00/93/10/356009310.db2.gz ZQECZECXJGHNLG-QMMMGPOBSA-N 1 2 225.292 1.286 20 0 BDADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)no1 ZINC000351583284 356020895 /nfs/dbraw/zinc/02/08/95/356020895.db2.gz SXUCRGPHNRLTJX-NRPADANISA-N 1 2 225.292 1.142 20 0 BDADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)no1 ZINC000351583284 356020899 /nfs/dbraw/zinc/02/08/99/356020899.db2.gz SXUCRGPHNRLTJX-NRPADANISA-N 1 2 225.292 1.142 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000639398913 356119402 /nfs/dbraw/zinc/11/94/02/356119402.db2.gz MQVRELRSPOXXEH-VIFPVBQESA-N 1 2 225.340 1.324 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1nnn(C)n1)C(C)(C)C ZINC000639398913 356119405 /nfs/dbraw/zinc/11/94/05/356119405.db2.gz MQVRELRSPOXXEH-VIFPVBQESA-N 1 2 225.340 1.324 20 0 BDADLO CC1(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623260423 356119766 /nfs/dbraw/zinc/11/97/66/356119766.db2.gz CVVLHUSEOJLBJO-SECBINFHSA-N 1 2 219.288 1.114 20 0 BDADLO NC(=O)C[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000339532611 181244999 /nfs/dbraw/zinc/24/49/99/181244999.db2.gz TWLBDBBBHSMATD-LBPRGKRZSA-N 1 2 244.298 1.116 20 0 BDADLO Cc1nc([C@H]2C[N@H+](CC[C@H](C)F)CCO2)no1 ZINC000351734491 356074258 /nfs/dbraw/zinc/07/42/58/356074258.db2.gz JBUYBOFBWGXPLB-WCBMZHEXSA-N 1 2 243.282 1.499 20 0 BDADLO Cc1nc([C@H]2C[N@@H+](CC[C@H](C)F)CCO2)no1 ZINC000351734491 356074263 /nfs/dbraw/zinc/07/42/63/356074263.db2.gz JBUYBOFBWGXPLB-WCBMZHEXSA-N 1 2 243.282 1.499 20 0 BDADLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351787023 356085538 /nfs/dbraw/zinc/08/55/38/356085538.db2.gz YMQJNLWRHGERTQ-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)no1 ZINC000351787023 356085540 /nfs/dbraw/zinc/08/55/40/356085540.db2.gz YMQJNLWRHGERTQ-ZJUUUORDSA-N 1 2 239.319 1.225 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnc(C)nc1 ZINC000351824069 356091452 /nfs/dbraw/zinc/09/14/52/356091452.db2.gz PKPZQPTXFYOTOG-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cnc(C)nc1 ZINC000351824069 356091456 /nfs/dbraw/zinc/09/14/56/356091456.db2.gz PKPZQPTXFYOTOG-CYBMUJFWSA-N 1 2 249.314 1.313 20 0 BDADLO CCn1cc[nH+]c1CN1C[C@@H](C)O[C@H](C)C1 ZINC000335916935 356160305 /nfs/dbraw/zinc/16/03/05/356160305.db2.gz CGYUZHZDIWEQHS-GHMZBOCLSA-N 1 2 223.320 1.512 20 0 BDADLO C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCNC1=O ZINC000335919001 356166116 /nfs/dbraw/zinc/16/61/16/356166116.db2.gz VKMUKVWTVYMMEU-JOYOIKCWSA-N 1 2 236.290 1.707 20 0 BDADLO C[C@@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCNC1=O ZINC000335919001 356166120 /nfs/dbraw/zinc/16/61/20/356166120.db2.gz VKMUKVWTVYMMEU-JOYOIKCWSA-N 1 2 236.290 1.707 20 0 BDADLO c1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)n[nH]1 ZINC000336088588 134077408 /nfs/dbraw/zinc/07/74/08/134077408.db2.gz ZTCUHKAERSTWMY-NSHDSACASA-N 1 2 207.277 1.021 20 0 BDADLO c1cc(C[N@H+]2CCO[C@H](C3CC3)C2)n[nH]1 ZINC000336088588 134077409 /nfs/dbraw/zinc/07/74/09/134077409.db2.gz ZTCUHKAERSTWMY-NSHDSACASA-N 1 2 207.277 1.021 20 0 BDADLO CC[C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000617637402 356235453 /nfs/dbraw/zinc/23/54/53/356235453.db2.gz VIQLHQVOJSFJPJ-JTQLQIEISA-N 1 2 209.293 1.436 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639445449 356226321 /nfs/dbraw/zinc/22/63/21/356226321.db2.gz SNSCFAXOIWEUOQ-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639445449 356226323 /nfs/dbraw/zinc/22/63/23/356226323.db2.gz SNSCFAXOIWEUOQ-SNVBAGLBSA-N 1 2 237.303 1.294 20 0 BDADLO CCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264020 356228451 /nfs/dbraw/zinc/22/84/51/356228451.db2.gz CUHMYPJSSTXYLC-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO O=C(CC1CCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265054 356231162 /nfs/dbraw/zinc/23/11/62/356231162.db2.gz ZZYQFXBBCMARTN-SNVBAGLBSA-N 1 2 219.288 1.114 20 0 BDADLO [NH3+]CCCCN=c1nc(-c2ccccc2)o[nH]1 ZINC000420235675 192181480 /nfs/dbraw/zinc/18/14/80/192181480.db2.gz OXKXRDVBRJPOCX-UHFFFAOYSA-N 1 2 232.287 1.309 20 0 BDADLO CC(C)n1cncc1C[NH2+]Cc1cc[nH]n1 ZINC000085188200 356196552 /nfs/dbraw/zinc/19/65/52/356196552.db2.gz RYYRUOUXZGRWIH-UHFFFAOYSA-N 1 2 219.292 1.477 20 0 BDADLO CCC(CC)[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263864 356205118 /nfs/dbraw/zinc/20/51/18/356205118.db2.gz ZRHFCMOWVHFTLV-PWSUYJOCSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000623264695 356236596 /nfs/dbraw/zinc/23/65/96/356236596.db2.gz QPYNNQBXTOOMGA-PWSUYJOCSA-N 1 2 247.342 1.750 20 0 BDADLO CCC[N@H+](CC(F)F)C[C@@H]1CCc2ncnn21 ZINC000639469561 356255641 /nfs/dbraw/zinc/25/56/41/356255641.db2.gz SVXZHNKIBURTKT-VIFPVBQESA-N 1 2 244.289 1.743 20 0 BDADLO CCC[N@@H+](CC(F)F)C[C@@H]1CCc2ncnn21 ZINC000639469561 356255645 /nfs/dbraw/zinc/25/56/45/356255645.db2.gz SVXZHNKIBURTKT-VIFPVBQESA-N 1 2 244.289 1.743 20 0 BDADLO NC(=O)Nc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049715385 181262374 /nfs/dbraw/zinc/26/23/74/181262374.db2.gz OHNDTBKLODAWSV-UHFFFAOYSA-N 1 2 231.259 1.512 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1c(C)cc(C)nc1C ZINC000639455657 356240578 /nfs/dbraw/zinc/24/05/78/356240578.db2.gz TWKRJFOXTIKFBH-UHFFFAOYSA-N 1 2 249.358 1.575 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000639455657 356240580 /nfs/dbraw/zinc/24/05/80/356240580.db2.gz TWKRJFOXTIKFBH-UHFFFAOYSA-N 1 2 249.358 1.575 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639458620 356246078 /nfs/dbraw/zinc/24/60/78/356246078.db2.gz VHFPSFCAPJSVIB-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nc(CC2CC2)no1 ZINC000639458620 356246081 /nfs/dbraw/zinc/24/60/81/356246081.db2.gz VHFPSFCAPJSVIB-UHFFFAOYSA-N 1 2 239.319 1.225 20 0 BDADLO CCC(F)(F)C[N@H+](C)CCn1cccn1 ZINC000639485749 356300874 /nfs/dbraw/zinc/30/08/74/356300874.db2.gz DXQQLGZEVZYIFW-UHFFFAOYSA-N 1 2 217.263 1.860 20 0 BDADLO CCC(F)(F)C[N@@H+](C)CCn1cccn1 ZINC000639485749 356300876 /nfs/dbraw/zinc/30/08/76/356300876.db2.gz DXQQLGZEVZYIFW-UHFFFAOYSA-N 1 2 217.263 1.860 20 0 BDADLO CC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000639486574 356302444 /nfs/dbraw/zinc/30/24/44/356302444.db2.gz SJKCRQDSNHSPLV-AWEZNQCLSA-N 1 2 233.311 1.821 20 0 BDADLO CC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000639486574 356302447 /nfs/dbraw/zinc/30/24/47/356302447.db2.gz SJKCRQDSNHSPLV-AWEZNQCLSA-N 1 2 233.311 1.821 20 0 BDADLO C[C@@H]1C[N@H+](CCNC(=O)C2(C)CC2)[C@H](C)CO1 ZINC000617731256 356303373 /nfs/dbraw/zinc/30/33/73/356303373.db2.gz XMDSUWOIOKFOSG-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C)CC2)[C@H](C)CO1 ZINC000617731256 356303377 /nfs/dbraw/zinc/30/33/77/356303377.db2.gz XMDSUWOIOKFOSG-GHMZBOCLSA-N 1 2 240.347 1.012 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000639489837 356307487 /nfs/dbraw/zinc/30/74/87/356307487.db2.gz OOSNVAZOIITAHM-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000639489837 356307489 /nfs/dbraw/zinc/30/74/89/356307489.db2.gz OOSNVAZOIITAHM-SNVBAGLBSA-N 1 2 237.290 1.505 20 0 BDADLO CC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000639534314 356387320 /nfs/dbraw/zinc/38/73/20/356387320.db2.gz ZDVGKOBWLOKDOF-UHFFFAOYSA-N 1 2 248.326 1.099 20 0 BDADLO CC(=O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000639534314 356387323 /nfs/dbraw/zinc/38/73/23/356387323.db2.gz ZDVGKOBWLOKDOF-UHFFFAOYSA-N 1 2 248.326 1.099 20 0 BDADLO CC(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000639534282 356389667 /nfs/dbraw/zinc/38/96/67/356389667.db2.gz YTPJCJDBIALDFV-UHFFFAOYSA-N 1 2 205.257 1.339 20 0 BDADLO CC(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000639534282 356389668 /nfs/dbraw/zinc/38/96/68/356389668.db2.gz YTPJCJDBIALDFV-UHFFFAOYSA-N 1 2 205.257 1.339 20 0 BDADLO C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1ccccn1 ZINC000639543271 356400575 /nfs/dbraw/zinc/40/05/75/356400575.db2.gz DYYHQUIQLRBICW-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO C[C@@H]1COCCC[N@H+]1CC(=O)Nc1ccccn1 ZINC000639543271 356400580 /nfs/dbraw/zinc/40/05/80/356400580.db2.gz DYYHQUIQLRBICW-LLVKDONJSA-N 1 2 249.314 1.131 20 0 BDADLO CCC[C@H](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623269461 356370554 /nfs/dbraw/zinc/37/05/54/356370554.db2.gz KGVBRIUSZMHMBS-QWRGUYRKSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(Nc1nccs1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336142789 134101165 /nfs/dbraw/zinc/10/11/65/134101165.db2.gz CGPMGJLYPUZRAX-MRVPVSSYSA-N 1 2 248.311 1.541 20 0 BDADLO CN1CC[C@H]([NH2+]CCC[NH3+])[C@H]1c1ccccc1 ZINC000420390634 192236265 /nfs/dbraw/zinc/23/62/65/192236265.db2.gz ABXPQFIKPOBOBX-UONOGXRCSA-N 1 2 233.359 1.370 20 0 BDADLO Cc1cc(C)c(NC(=O)NCCO)c(C)[nH+]1 ZINC000336147346 134102762 /nfs/dbraw/zinc/10/27/62/134102762.db2.gz ZCGYMYTVHMLCHE-UHFFFAOYSA-N 1 2 223.276 1.121 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N(C)[C@H](C)CO)[nH+]1 ZINC000631180206 356421287 /nfs/dbraw/zinc/42/12/87/356421287.db2.gz NQRBDHWYVKVQPY-SECBINFHSA-N 1 2 248.330 1.898 20 0 BDADLO O=C(CCc1ccco1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623278942 356428446 /nfs/dbraw/zinc/42/84/46/356428446.db2.gz IDGMXBCESWGWIK-JTQLQIEISA-N 1 2 245.282 1.150 20 0 BDADLO O=C(Nc1nccs1)[C@H]1CCc2c[nH+]cn2C1 ZINC000336142790 134100880 /nfs/dbraw/zinc/10/08/80/134100880.db2.gz CGPMGJLYPUZRAX-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO C[C@@](CO)([NH2+]Cc1cocn1)c1cccc(O)c1 ZINC000628374712 356456273 /nfs/dbraw/zinc/45/62/73/356456273.db2.gz YDQAMBPFVVPQRE-ZDUSSCGKSA-N 1 2 248.282 1.378 20 0 BDADLO CCC(F)(F)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000639554768 356457543 /nfs/dbraw/zinc/45/75/43/356457543.db2.gz MMEHCSHLAUWVJH-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CCC(F)(F)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000639554768 356457546 /nfs/dbraw/zinc/45/75/46/356457546.db2.gz MMEHCSHLAUWVJH-SECBINFHSA-N 1 2 207.264 1.879 20 0 BDADLO CC[C@@H]1C[N@H+](CC(C)=O)CCN1CC(F)F ZINC000639555735 356458175 /nfs/dbraw/zinc/45/81/75/356458175.db2.gz JDORGOURPYJXIO-SNVBAGLBSA-N 1 2 234.290 1.237 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(C)=O)CCN1CC(F)F ZINC000639555735 356458178 /nfs/dbraw/zinc/45/81/78/356458178.db2.gz JDORGOURPYJXIO-SNVBAGLBSA-N 1 2 234.290 1.237 20 0 BDADLO C[C@H]1C[N@H+](CCc2cnccn2)[C@@H](C)CN1C ZINC000639558155 356460260 /nfs/dbraw/zinc/46/02/60/356460260.db2.gz XBXFLHMADXSBBN-RYUDHWBXSA-N 1 2 234.347 1.044 20 0 BDADLO C[C@H]1C[N@@H+](CCc2cnccn2)[C@@H](C)CN1C ZINC000639558155 356460263 /nfs/dbraw/zinc/46/02/63/356460263.db2.gz XBXFLHMADXSBBN-RYUDHWBXSA-N 1 2 234.347 1.044 20 0 BDADLO CC(C)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623279759 356444301 /nfs/dbraw/zinc/44/43/01/356444301.db2.gz CMHLKUORXUZFOS-JTQLQIEISA-N 1 2 221.304 1.360 20 0 BDADLO CC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000420624896 192249929 /nfs/dbraw/zinc/24/99/29/192249929.db2.gz JRCWSQXFKOOZIP-SNVBAGLBSA-N 1 2 235.331 1.269 20 0 BDADLO Cc1ccsc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623282323 356467577 /nfs/dbraw/zinc/46/75/77/356467577.db2.gz SVJHROPBSLFDBS-SECBINFHSA-N 1 2 247.323 1.608 20 0 BDADLO O=C(Cc1cccs1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623282241 356467838 /nfs/dbraw/zinc/46/78/38/356467838.db2.gz QKEJXGVNQRVXTR-VIFPVBQESA-N 1 2 247.323 1.228 20 0 BDADLO C[C@H]1CC[N@H+](C[C@H]2C[C@@H](O)C2)CC1(F)F ZINC000420923914 192272429 /nfs/dbraw/zinc/27/24/29/192272429.db2.gz RDNFOJZKDJTMFT-LPEHRKFASA-N 1 2 219.275 1.734 20 0 BDADLO C[C@H]1CC[N@@H+](C[C@H]2C[C@@H](O)C2)CC1(F)F ZINC000420923914 192272431 /nfs/dbraw/zinc/27/24/31/192272431.db2.gz RDNFOJZKDJTMFT-LPEHRKFASA-N 1 2 219.275 1.734 20 0 BDADLO CCOCC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289298 356498693 /nfs/dbraw/zinc/49/86/93/356498693.db2.gz PPZUDCYQGSXMAG-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO CCOCC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289298 356498695 /nfs/dbraw/zinc/49/86/95/356498695.db2.gz PPZUDCYQGSXMAG-NSHDSACASA-N 1 2 248.326 1.866 20 0 BDADLO CC[C@H](C)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000420863280 192265310 /nfs/dbraw/zinc/26/53/10/192265310.db2.gz RMFSWQMIKMODIG-JTQLQIEISA-N 1 2 238.335 1.308 20 0 BDADLO CC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000639575530 356502806 /nfs/dbraw/zinc/50/28/06/356502806.db2.gz JNKMRYDQZGMLLF-JTQLQIEISA-N 1 2 229.226 1.177 20 0 BDADLO CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000623291000 356505045 /nfs/dbraw/zinc/50/50/45/356505045.db2.gz RBAQJMDAJHHWRP-UHFFFAOYSA-N 1 2 209.293 1.532 20 0 BDADLO CC[C@@H]1C[NH+](Cc2cncn2C)C[C@@H](CC)O1 ZINC000420947311 192276426 /nfs/dbraw/zinc/27/64/26/192276426.db2.gz CPNILLVLVQGLAL-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](CC)O1 ZINC000420947311 192276427 /nfs/dbraw/zinc/27/64/27/192276427.db2.gz CPNILLVLVQGLAL-CHWSQXEVSA-N 1 2 237.347 1.810 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nn(C)cc2Cl)C1 ZINC000420960488 192280869 /nfs/dbraw/zinc/28/08/69/192280869.db2.gz HXAGLIVPERYOEP-DTORHVGOSA-N 1 2 243.738 1.683 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nn(C)cc2Cl)C1 ZINC000420960488 192280872 /nfs/dbraw/zinc/28/08/72/192280872.db2.gz HXAGLIVPERYOEP-DTORHVGOSA-N 1 2 243.738 1.683 20 0 BDADLO CC[C@@H]1C[NH+](Cc2ncccn2)C[C@@H](CC)O1 ZINC000420960063 192282268 /nfs/dbraw/zinc/28/22/68/192282268.db2.gz QWGOVFCPBDSCJT-VXGBXAGGSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H](CC)O1 ZINC000420962626 192282829 /nfs/dbraw/zinc/28/28/29/192282829.db2.gz UKIWGCUDAFQKCD-GHMZBOCLSA-N 1 2 223.320 1.799 20 0 BDADLO CCC(F)(F)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000639595521 356514808 /nfs/dbraw/zinc/51/48/08/356514808.db2.gz JQZVVVUWULNIAW-VIFPVBQESA-N 1 2 230.262 1.570 20 0 BDADLO CCC(F)(F)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000639595521 356514810 /nfs/dbraw/zinc/51/48/10/356514810.db2.gz JQZVVVUWULNIAW-VIFPVBQESA-N 1 2 230.262 1.570 20 0 BDADLO O[C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2C(F)F)C1 ZINC000420968375 192285509 /nfs/dbraw/zinc/28/55/09/192285509.db2.gz WHMWWUFCVDVVMQ-AEJSXWLSSA-N 1 2 219.275 1.877 20 0 BDADLO O[C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C(F)F)C1 ZINC000420968375 192285511 /nfs/dbraw/zinc/28/55/11/192285511.db2.gz WHMWWUFCVDVVMQ-AEJSXWLSSA-N 1 2 219.275 1.877 20 0 BDADLO CC[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@@H](CC)O1 ZINC000420943220 192288925 /nfs/dbraw/zinc/28/89/25/192288925.db2.gz HZPWBBJRVNUBRX-VXGBXAGGSA-N 1 2 242.363 1.400 20 0 BDADLO Cc1noc(C)c1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639613048 356537368 /nfs/dbraw/zinc/53/73/68/356537368.db2.gz UXPJDPUECSRNSX-UHFFFAOYSA-N 1 2 249.274 1.678 20 0 BDADLO C[N@H+](CCCO)Cc1nc(C2CCC2)no1 ZINC000639625507 356538483 /nfs/dbraw/zinc/53/84/83/356538483.db2.gz XYPHXSOQGRLKEI-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[N@@H+](CCCO)Cc1nc(C2CCC2)no1 ZINC000639625507 356538489 /nfs/dbraw/zinc/53/84/89/356538489.db2.gz XYPHXSOQGRLKEI-UHFFFAOYSA-N 1 2 225.292 1.151 20 0 BDADLO C[C@@H]1C[C@@H]1Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000350424297 366273814 /nfs/dbraw/zinc/27/38/14/366273814.db2.gz PVSXRTBSZWSKJN-RKDXNWHRSA-N 1 2 232.287 1.592 20 0 BDADLO COCC(C)(C)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420979118 192290514 /nfs/dbraw/zinc/29/05/14/192290514.db2.gz UVZGDFLKCSNMEA-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO COCC(C)(C)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420979118 192290516 /nfs/dbraw/zinc/29/05/16/192290516.db2.gz UVZGDFLKCSNMEA-UHFFFAOYSA-N 1 2 245.754 1.930 20 0 BDADLO CCC(F)(F)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000639620326 356539967 /nfs/dbraw/zinc/53/99/67/356539967.db2.gz LJRHUYYPKMYART-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO CCC(F)(F)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000639620326 356539972 /nfs/dbraw/zinc/53/99/72/356539972.db2.gz LJRHUYYPKMYART-NXEZZACHSA-N 1 2 237.290 1.503 20 0 BDADLO COC1(c2noc(Cc3c[nH+]cn3C)n2)CCC1 ZINC000350461886 366280955 /nfs/dbraw/zinc/28/09/55/366280955.db2.gz WGBDZXRLILEOSY-UHFFFAOYSA-N 1 2 248.286 1.420 20 0 BDADLO CCc1nc(C[NH2+][C@H](CC)C(=O)NC)cs1 ZINC000449783095 202033706 /nfs/dbraw/zinc/03/37/06/202033706.db2.gz ZNKMQNJRKSKCRX-SECBINFHSA-N 1 2 241.360 1.320 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 ZINC000336196111 134126511 /nfs/dbraw/zinc/12/65/11/134126511.db2.gz RZEYHGFZAWUBCR-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 ZINC000336196111 134126512 /nfs/dbraw/zinc/12/65/12/134126512.db2.gz RZEYHGFZAWUBCR-SNVBAGLBSA-N 1 2 208.309 1.817 20 0 BDADLO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C(F)F ZINC000228488705 491095405 /nfs/dbraw/zinc/09/54/05/491095405.db2.gz COSDNGRVWZRIND-SSDOTTSWSA-N 1 2 228.242 1.529 20 0 BDADLO Cn1cnnc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179701992 366287419 /nfs/dbraw/zinc/28/74/19/366287419.db2.gz ZCFFABIIYGWRRF-UHFFFAOYSA-N 1 2 246.289 1.733 20 0 BDADLO Fc1cncc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421019080 192303371 /nfs/dbraw/zinc/30/33/71/192303371.db2.gz LZQOISPOYWIZJI-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Fc1cncc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421019080 192303374 /nfs/dbraw/zinc/30/33/74/192303374.db2.gz LZQOISPOYWIZJI-GFCCVEGCSA-N 1 2 222.263 1.586 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(CCO)C[C@@H]2C)o1 ZINC000449788944 202039135 /nfs/dbraw/zinc/03/91/35/202039135.db2.gz YVGITEGKHHSQNI-NSHDSACASA-N 1 2 238.331 1.086 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(CCO)C[C@@H]2C)o1 ZINC000449788944 202039139 /nfs/dbraw/zinc/03/91/39/202039139.db2.gz YVGITEGKHHSQNI-NSHDSACASA-N 1 2 238.331 1.086 20 0 BDADLO Cc1cc(NC(=O)N2CC[C@]23CCOC3)cc[nH+]1 ZINC000421085995 192312430 /nfs/dbraw/zinc/31/24/30/192312430.db2.gz NSJDXWIDWCSWJH-CYBMUJFWSA-N 1 2 247.298 1.209 20 0 BDADLO CC[C@@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000421089248 192312576 /nfs/dbraw/zinc/31/25/76/192312576.db2.gz SKGKCNVNJZRESU-SECBINFHSA-N 1 2 221.304 1.980 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nn(C)cc1Cl ZINC000421020951 192305474 /nfs/dbraw/zinc/30/54/74/192305474.db2.gz NSVURAZFJLWDKB-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nn(C)cc1Cl ZINC000421020951 192305476 /nfs/dbraw/zinc/30/54/76/192305476.db2.gz NSVURAZFJLWDKB-RKDXNWHRSA-N 1 2 243.738 1.419 20 0 BDADLO COc1ccnc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421021313 192306292 /nfs/dbraw/zinc/30/62/92/192306292.db2.gz OOAATQXNJAKEHJ-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO COc1ccnc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421021313 192306295 /nfs/dbraw/zinc/30/62/95/192306295.db2.gz OOAATQXNJAKEHJ-CYBMUJFWSA-N 1 2 234.299 1.455 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)nn1 ZINC000421021918 192307027 /nfs/dbraw/zinc/30/70/27/192307027.db2.gz OSIRQKNTWRAFFQ-JQWIXIFHSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)nn1 ZINC000421021918 192307029 /nfs/dbraw/zinc/30/70/29/192307029.db2.gz OSIRQKNTWRAFFQ-JQWIXIFHSA-N 1 2 238.335 1.204 20 0 BDADLO CC(C)CCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623300669 356570076 /nfs/dbraw/zinc/57/00/76/356570076.db2.gz XPSNYQZJUVYIDX-NSHDSACASA-N 1 2 235.331 1.750 20 0 BDADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC1(C)C ZINC000336208225 134133405 /nfs/dbraw/zinc/13/34/05/134133405.db2.gz DWZIHXGAYSBAGL-PWSUYJOCSA-N 1 2 247.342 1.702 20 0 BDADLO COC[C@@H](C)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421319028 192316622 /nfs/dbraw/zinc/31/66/22/192316622.db2.gz JOFJNOYXHYDWJX-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO COC[C@@H](C)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421319028 192316625 /nfs/dbraw/zinc/31/66/25/192316625.db2.gz JOFJNOYXHYDWJX-MRVPVSSYSA-N 1 2 245.754 1.849 20 0 BDADLO CCC(F)(F)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000639653256 356565129 /nfs/dbraw/zinc/56/51/29/356565129.db2.gz WACNEMYOGICKSY-BRPSZJMVSA-N 1 2 205.248 1.202 20 0 BDADLO CCC(F)(F)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000639653256 356565131 /nfs/dbraw/zinc/56/51/31/356565131.db2.gz WACNEMYOGICKSY-BRPSZJMVSA-N 1 2 205.248 1.202 20 0 BDADLO Cc1c(Cl)c(C[N@H+](C)CC(C)(C)O)nn1C ZINC000421318699 192317090 /nfs/dbraw/zinc/31/70/90/192317090.db2.gz HGSBWYAQBVJXJE-UHFFFAOYSA-N 1 2 245.754 1.585 20 0 BDADLO Cc1c(Cl)c(C[N@@H+](C)CC(C)(C)O)nn1C ZINC000421318699 192317093 /nfs/dbraw/zinc/31/70/93/192317093.db2.gz HGSBWYAQBVJXJE-UHFFFAOYSA-N 1 2 245.754 1.585 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccncc2F)[C@@H](C)CO1 ZINC000336211669 134134488 /nfs/dbraw/zinc/13/44/88/134134488.db2.gz FDSQAWCWQJSQOG-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO CC[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302300 356582301 /nfs/dbraw/zinc/58/23/01/356582301.db2.gz CWKOCODKFLZLBA-MNOVXSKESA-N 1 2 235.331 1.750 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1nccs1 ZINC000623302743 356583020 /nfs/dbraw/zinc/58/30/20/356583020.db2.gz OGQYHYCELWXONO-MRVPVSSYSA-N 1 2 248.311 1.084 20 0 BDADLO C[C@@H]1COC2(CCC2)CN1c1cc(CO)cc[nH+]1 ZINC000630092391 363515187 /nfs/dbraw/zinc/51/51/87/363515187.db2.gz FHGZBCVFVMVPMY-LLVKDONJSA-N 1 2 248.326 1.722 20 0 BDADLO CCCC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623307974 356614217 /nfs/dbraw/zinc/61/42/17/356614217.db2.gz RWICECORVRDUIX-NSHDSACASA-N 1 2 247.342 1.894 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000450137784 202084366 /nfs/dbraw/zinc/08/43/66/202084366.db2.gz VKCFJWRNYWAZSR-VXGBXAGGSA-N 1 2 243.310 1.997 20 0 BDADLO CCn1cc(C[N@H+](CC(C)=O)C(C)C)cn1 ZINC000639727993 356621587 /nfs/dbraw/zinc/62/15/87/356621587.db2.gz CWZBTNUNRKHBOU-UHFFFAOYSA-N 1 2 223.320 1.702 20 0 BDADLO CCn1cc(C[N@@H+](CC(C)=O)C(C)C)cn1 ZINC000639727993 356621591 /nfs/dbraw/zinc/62/15/91/356621591.db2.gz CWZBTNUNRKHBOU-UHFFFAOYSA-N 1 2 223.320 1.702 20 0 BDADLO COC(=O)c1csc(C[N@H+](C)C2CC2)n1 ZINC000450263102 202114735 /nfs/dbraw/zinc/11/47/35/202114735.db2.gz PTCZZHKNPOZGDE-UHFFFAOYSA-N 1 2 226.301 1.524 20 0 BDADLO COC(=O)c1csc(C[N@@H+](C)C2CC2)n1 ZINC000450263102 202114738 /nfs/dbraw/zinc/11/47/38/202114738.db2.gz PTCZZHKNPOZGDE-UHFFFAOYSA-N 1 2 226.301 1.524 20 0 BDADLO CS[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC000130162253 358508774 /nfs/dbraw/zinc/50/87/74/358508774.db2.gz FPYAEPLFLHLJHL-SNVBAGLBSA-N 1 2 241.360 1.531 20 0 BDADLO CCC[N@H+](C)Cc1nc(Cc2cncn2C)no1 ZINC000350654280 366318180 /nfs/dbraw/zinc/31/81/80/366318180.db2.gz AVCHNPIPGIREQR-UHFFFAOYSA-N 1 2 249.318 1.236 20 0 BDADLO CCC[N@@H+](C)Cc1nc(Cc2cncn2C)no1 ZINC000350654280 366318188 /nfs/dbraw/zinc/31/81/88/366318188.db2.gz AVCHNPIPGIREQR-UHFFFAOYSA-N 1 2 249.318 1.236 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C(C)(F)F ZINC000389460777 356680673 /nfs/dbraw/zinc/68/06/73/356680673.db2.gz FRIVBOVIWLNHSK-QMMMGPOBSA-N 1 2 242.269 1.919 20 0 BDADLO CO[C@@H]1CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC000450348088 202137363 /nfs/dbraw/zinc/13/73/63/202137363.db2.gz KYGFQSXTQFRDQU-RKDXNWHRSA-N 1 2 227.333 1.710 20 0 BDADLO CO[C@@H]1CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC000450348088 202137367 /nfs/dbraw/zinc/13/73/67/202137367.db2.gz KYGFQSXTQFRDQU-RKDXNWHRSA-N 1 2 227.333 1.710 20 0 BDADLO Cc1nocc1CNc1cc(C)[nH+]cc1C#N ZINC000399411658 356694232 /nfs/dbraw/zinc/69/42/32/356694232.db2.gz DWVAXGNIVLGRFA-UHFFFAOYSA-N 1 2 228.255 1.592 20 0 BDADLO Cl/C=C/C[NH+]1CCN(c2ccccn2)CC1 ZINC000054145988 363562945 /nfs/dbraw/zinc/56/29/45/363562945.db2.gz SRNJMNBORBUZQN-HWKANZROSA-N 1 2 237.734 1.956 20 0 BDADLO Cc1noc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639778216 356722215 /nfs/dbraw/zinc/72/22/15/356722215.db2.gz QUYZDFPIUUIGLP-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO Cc1noc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639778216 356722219 /nfs/dbraw/zinc/72/22/19/356722219.db2.gz QUYZDFPIUUIGLP-JTQLQIEISA-N 1 2 233.275 1.438 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000450429379 202165092 /nfs/dbraw/zinc/16/50/92/202165092.db2.gz LLKNFSIGGBZHIX-BMIGLBTASA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000450429379 202165096 /nfs/dbraw/zinc/16/50/96/202165096.db2.gz LLKNFSIGGBZHIX-BMIGLBTASA-N 1 2 231.361 1.199 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1C ZINC000639781589 356730381 /nfs/dbraw/zinc/73/03/81/356730381.db2.gz OLSKNHKDEZVECE-NSHDSACASA-N 1 2 246.318 1.184 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1C ZINC000639781589 356730385 /nfs/dbraw/zinc/73/03/85/356730385.db2.gz OLSKNHKDEZVECE-NSHDSACASA-N 1 2 246.318 1.184 20 0 BDADLO CCC(=O)CCC[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000450429381 202166855 /nfs/dbraw/zinc/16/68/55/202166855.db2.gz LLKNFSIGGBZHIX-MEBBXXQBSA-N 1 2 231.361 1.199 20 0 BDADLO CCC(=O)CCC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000450429381 202166859 /nfs/dbraw/zinc/16/68/59/202166859.db2.gz LLKNFSIGGBZHIX-MEBBXXQBSA-N 1 2 231.361 1.199 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)on1 ZINC000639776595 356717003 /nfs/dbraw/zinc/71/70/03/356717003.db2.gz NRHPNTXDAVBZGD-NSHDSACASA-N 1 2 248.286 1.743 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)on1 ZINC000639776595 356717006 /nfs/dbraw/zinc/71/70/06/356717006.db2.gz NRHPNTXDAVBZGD-NSHDSACASA-N 1 2 248.286 1.743 20 0 BDADLO COC(=O)CSCCCn1cc[nH+]c1 ZINC000542714817 325043188 /nfs/dbraw/zinc/04/31/88/325043188.db2.gz YLHNHYUNJDDAGS-UHFFFAOYSA-N 1 2 214.290 1.179 20 0 BDADLO CC[C@@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623345788 356752760 /nfs/dbraw/zinc/75/27/60/356752760.db2.gz TTZBOOJIXFQOIR-MWLCHTKSSA-N 1 2 235.331 1.669 20 0 BDADLO CCc1cnc(CNC(=O)CCn2cc[nH+]c2)o1 ZINC000356262797 356791925 /nfs/dbraw/zinc/79/19/25/356791925.db2.gz YVAMTKOBOJJSFY-UHFFFAOYSA-N 1 2 248.286 1.140 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345824 363568143 /nfs/dbraw/zinc/56/81/43/363568143.db2.gz RXNHOAVINUQCDM-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345824 363568150 /nfs/dbraw/zinc/56/81/50/363568150.db2.gz RXNHOAVINUQCDM-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H](OC)C2)c1 ZINC000639830924 356813453 /nfs/dbraw/zinc/81/34/53/356813453.db2.gz PYSCHNPABQTFIY-CYBMUJFWSA-N 1 2 237.299 1.500 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H](OC)C2)c1 ZINC000639830924 356813456 /nfs/dbraw/zinc/81/34/56/356813456.db2.gz PYSCHNPABQTFIY-CYBMUJFWSA-N 1 2 237.299 1.500 20 0 BDADLO CO[C@@H]1C[N@@H+]([C@H](C)c2cccnc2)CCO1 ZINC000639833646 356820375 /nfs/dbraw/zinc/82/03/75/356820375.db2.gz QBLMIFMAAXEOSW-PWSUYJOCSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@@H]1C[N@H+]([C@H](C)c2cccnc2)CCO1 ZINC000639833646 356820377 /nfs/dbraw/zinc/82/03/77/356820377.db2.gz QBLMIFMAAXEOSW-PWSUYJOCSA-N 1 2 222.288 1.447 20 0 BDADLO CO[C@H]1C[N@H+](CCOCC2CCCC2)CCO1 ZINC000639836787 356823462 /nfs/dbraw/zinc/82/34/62/356823462.db2.gz JJZTYOSNAPEITK-CYBMUJFWSA-N 1 2 243.347 1.498 20 0 BDADLO CO[C@H]1C[N@@H+](CCOCC2CCCC2)CCO1 ZINC000639836787 356823467 /nfs/dbraw/zinc/82/34/67/356823467.db2.gz JJZTYOSNAPEITK-CYBMUJFWSA-N 1 2 243.347 1.498 20 0 BDADLO CC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000639864192 356874191 /nfs/dbraw/zinc/87/41/91/356874191.db2.gz DRCXODBABDVDGR-LLVKDONJSA-N 1 2 229.226 1.177 20 0 BDADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cn1 ZINC000639842360 356836694 /nfs/dbraw/zinc/83/66/94/356836694.db2.gz DAWXNPUBKCOKJM-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)cn1 ZINC000639842360 356836698 /nfs/dbraw/zinc/83/66/98/356836698.db2.gz DAWXNPUBKCOKJM-GFCCVEGCSA-N 1 2 243.314 1.547 20 0 BDADLO CCc1nc(C[N@H+](C)CCOC)cs1 ZINC000054361418 363570347 /nfs/dbraw/zinc/57/03/47/363570347.db2.gz HUEXGNHBGLCLQQ-UHFFFAOYSA-N 1 2 214.334 1.784 20 0 BDADLO CCc1nc(C[N@@H+](C)CCOC)cs1 ZINC000054361418 363570354 /nfs/dbraw/zinc/57/03/54/363570354.db2.gz HUEXGNHBGLCLQQ-UHFFFAOYSA-N 1 2 214.334 1.784 20 0 BDADLO CC[N@H+](Cc1c(Cl)cnn1C)[C@H]1CCOC1 ZINC000361236444 356920793 /nfs/dbraw/zinc/92/07/93/356920793.db2.gz FJRIVZDZDAZYTI-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CC[N@@H+](Cc1c(Cl)cnn1C)[C@H]1CCOC1 ZINC000361236444 356920796 /nfs/dbraw/zinc/92/07/96/356920796.db2.gz FJRIVZDZDAZYTI-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CC(C)CC[C@H](O)C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000361334067 356928321 /nfs/dbraw/zinc/92/83/21/356928321.db2.gz FPUCBDGAIOZPFU-QWRGUYRKSA-N 1 2 240.351 1.263 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C)(OC)CC2)[nH]1 ZINC000361519332 356931795 /nfs/dbraw/zinc/93/17/95/356931795.db2.gz NPVWKVZVTJKNCD-UHFFFAOYSA-N 1 2 238.335 1.368 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)C[C@@H](C)OC ZINC000361578954 356933825 /nfs/dbraw/zinc/93/38/25/356933825.db2.gz SSICGNVROOFSTN-LLVKDONJSA-N 1 2 240.351 1.716 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)C[C@@H](C)OC ZINC000361578954 356933830 /nfs/dbraw/zinc/93/38/30/356933830.db2.gz SSICGNVROOFSTN-LLVKDONJSA-N 1 2 240.351 1.716 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000359657027 356892869 /nfs/dbraw/zinc/89/28/69/356892869.db2.gz ZAPMBDQXNJIDSK-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CCCC[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000359657027 356892872 /nfs/dbraw/zinc/89/28/72/356892872.db2.gz ZAPMBDQXNJIDSK-NWDGAFQWSA-N 1 2 242.363 1.354 20 0 BDADLO CCCCS[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000054369877 363571032 /nfs/dbraw/zinc/57/10/32/363571032.db2.gz SZAXQAMHKZASTF-NSHDSACASA-N 1 2 244.404 1.682 20 0 BDADLO Cc1cc(N[C@H]2CCS[C@@H]2C)c(C#N)c[nH+]1 ZINC000399576579 356980865 /nfs/dbraw/zinc/98/08/65/356980865.db2.gz KKBXUTUOFMLZKT-KOLCDFICSA-N 1 2 233.340 1.990 20 0 BDADLO C[N@@H+]1CCN(CCCc2ccccc2)[C@@H](CO)C1 ZINC000639866956 356987471 /nfs/dbraw/zinc/98/74/71/356987471.db2.gz AAYZJCBICHDJDS-OAHLLOKOSA-N 1 2 248.370 1.228 20 0 BDADLO C[N@H+]1CCN(CCCc2ccccc2)[C@@H](CO)C1 ZINC000639866956 356987476 /nfs/dbraw/zinc/98/74/76/356987476.db2.gz AAYZJCBICHDJDS-OAHLLOKOSA-N 1 2 248.370 1.228 20 0 BDADLO CCn1ncnc1C[N@H+](CC)C[C@H]1CCCO1 ZINC000362908895 356950546 /nfs/dbraw/zinc/95/05/46/356950546.db2.gz LPXOHJSQLGIMCZ-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncnc1C[N@@H+](CC)C[C@H]1CCCO1 ZINC000362908895 356950552 /nfs/dbraw/zinc/95/05/52/356950552.db2.gz LPXOHJSQLGIMCZ-LLVKDONJSA-N 1 2 238.335 1.299 20 0 BDADLO Cc1cc(NCC(C)(C)c2ccccn2)nc[nH+]1 ZINC000450612835 202211079 /nfs/dbraw/zinc/21/10/79/202211079.db2.gz LAGDPZOOOJWGLV-UHFFFAOYSA-N 1 2 242.326 1.992 20 0 BDADLO CNc1nc(N2CC[C@@H](F)C2)[nH+]c2ccccc21 ZINC000450607749 202211389 /nfs/dbraw/zinc/21/13/89/202211389.db2.gz YDGSQFMUNGTTHV-SECBINFHSA-N 1 2 246.289 1.642 20 0 BDADLO O=C(CCn1cc[nH+]c1)Nc1ccc(O)cc1 ZINC000020211652 357001052 /nfs/dbraw/zinc/00/10/52/357001052.db2.gz JRYDQVQAWRVVNB-UHFFFAOYSA-N 1 2 231.255 1.618 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000355268958 538790264 /nfs/dbraw/zinc/79/02/64/538790264.db2.gz QBBHBGPNBHCLRD-QWRGUYRKSA-N 1 2 219.288 1.082 20 0 BDADLO Cc1cc(Cc2noc(C[NH+](C)C)n2)no1 ZINC000350637306 357062424 /nfs/dbraw/zinc/06/24/24/357062424.db2.gz OSCPEEOKORDDRQ-UHFFFAOYSA-N 1 2 222.248 1.018 20 0 BDADLO CC[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000354662109 538779066 /nfs/dbraw/zinc/77/90/66/538779066.db2.gz AOWFYCZVPRFKLJ-SECBINFHSA-N 1 2 209.293 1.599 20 0 BDADLO CC[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000354662109 538779071 /nfs/dbraw/zinc/77/90/71/538779071.db2.gz AOWFYCZVPRFKLJ-SECBINFHSA-N 1 2 209.293 1.599 20 0 BDADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(N)=O ZINC000007921991 357095582 /nfs/dbraw/zinc/09/55/82/357095582.db2.gz WFEFNPSNKRGDRY-QMMMGPOBSA-N 1 2 249.339 1.774 20 0 BDADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(N)=O ZINC000007921991 357095585 /nfs/dbraw/zinc/09/55/85/357095585.db2.gz WFEFNPSNKRGDRY-QMMMGPOBSA-N 1 2 249.339 1.774 20 0 BDADLO CS(=O)(=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000585378592 538799991 /nfs/dbraw/zinc/79/99/91/538799991.db2.gz LNEBAIMYEQIUIX-UHFFFAOYSA-N 1 2 240.328 1.095 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1noc(C)n1 ZINC000304112530 357158223 /nfs/dbraw/zinc/15/82/23/357158223.db2.gz MXEYADJTWPRPSD-GHMZBOCLSA-N 1 2 239.319 1.503 20 0 BDADLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1noc(C)n1 ZINC000304112530 357158224 /nfs/dbraw/zinc/15/82/24/357158224.db2.gz MXEYADJTWPRPSD-GHMZBOCLSA-N 1 2 239.319 1.503 20 0 BDADLO COCc1ccc(C(=O)NCc2c[nH+]cn2C)o1 ZINC000356804541 538817367 /nfs/dbraw/zinc/81/73/67/538817367.db2.gz ZXNFUJVHBJQFCF-UHFFFAOYSA-N 1 2 249.270 1.090 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000639900390 357284139 /nfs/dbraw/zinc/28/41/39/357284139.db2.gz SIUCALZOVAMOMV-CKYFFXLPSA-N 1 2 249.314 1.499 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CC1(C)COC1 ZINC000628423412 357246828 /nfs/dbraw/zinc/24/68/28/357246828.db2.gz STWYDVRYBUEYEX-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CC1(C)COC1 ZINC000628423412 357246834 /nfs/dbraw/zinc/24/68/34/357246834.db2.gz STWYDVRYBUEYEX-UHFFFAOYSA-N 1 2 209.293 1.186 20 0 BDADLO Cc1[nH]c(CN(C)CC2(C)COC2)[nH+]c1C ZINC000628424032 357249062 /nfs/dbraw/zinc/24/90/62/357249062.db2.gz VEIQEBIWVZHPJG-UHFFFAOYSA-N 1 2 223.320 1.495 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH+]1CC2(C1)CCCO2 ZINC000628427621 357256089 /nfs/dbraw/zinc/25/60/89/357256089.db2.gz NOHJOFMYEVSBHZ-UHFFFAOYSA-N 1 2 247.342 1.662 20 0 BDADLO CCCc1noc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000583701581 357312208 /nfs/dbraw/zinc/31/22/08/357312208.db2.gz TXEBOXBYXGHBTE-DTWKUNHWSA-N 1 2 239.319 1.271 20 0 BDADLO CCn1cc[nH+]c1CNc1cc(OC)n(C)n1 ZINC000393932057 357320487 /nfs/dbraw/zinc/32/04/87/357320487.db2.gz VBGLQGYTRDAGFP-UHFFFAOYSA-N 1 2 235.291 1.257 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NCCc1ccco1 ZINC000357621695 538829686 /nfs/dbraw/zinc/82/96/86/538829686.db2.gz BKBCFZOFMBEOJZ-UHFFFAOYSA-N 1 2 248.286 1.055 20 0 BDADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582962471 357439610 /nfs/dbraw/zinc/43/96/10/357439610.db2.gz MLOYVWASIZJLSJ-MNOVXSKESA-N 1 2 249.314 1.558 20 0 BDADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582962471 357439615 /nfs/dbraw/zinc/43/96/15/357439615.db2.gz MLOYVWASIZJLSJ-MNOVXSKESA-N 1 2 249.314 1.558 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccncc1Cl ZINC000085704452 357554119 /nfs/dbraw/zinc/55/41/19/357554119.db2.gz OVMGNQNPKXZQIB-UHFFFAOYSA-N 1 2 236.662 1.388 20 0 BDADLO Cc1c[nH+]ccc1CC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000397531666 357557486 /nfs/dbraw/zinc/55/74/86/357557486.db2.gz LXIKZJITHJBHKI-LLVKDONJSA-N 1 2 236.315 1.585 20 0 BDADLO Cc1c[nH+]ccc1CC[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000397531666 357557490 /nfs/dbraw/zinc/55/74/90/357557490.db2.gz LXIKZJITHJBHKI-LLVKDONJSA-N 1 2 236.315 1.585 20 0 BDADLO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C)n1 ZINC000231243551 357599725 /nfs/dbraw/zinc/59/97/25/357599725.db2.gz WZXQZAYWCRDYCH-UWVGGRQHSA-N 1 2 225.292 1.425 20 0 BDADLO Cc1oncc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000189654910 357656134 /nfs/dbraw/zinc/65/61/34/357656134.db2.gz NWVYYUZVOKTHBR-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1oncc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000189654910 357656139 /nfs/dbraw/zinc/65/61/39/357656139.db2.gz NWVYYUZVOKTHBR-GFCCVEGCSA-N 1 2 236.271 1.265 20 0 BDADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ncccn1 ZINC000192174651 357824974 /nfs/dbraw/zinc/82/49/74/357824974.db2.gz SGPCVBXKQSJMGO-JTQLQIEISA-N 1 2 237.303 1.250 20 0 BDADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ncccn1 ZINC000192174651 357824976 /nfs/dbraw/zinc/82/49/76/357824976.db2.gz SGPCVBXKQSJMGO-JTQLQIEISA-N 1 2 237.303 1.250 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000192070968 357816734 /nfs/dbraw/zinc/81/67/34/357816734.db2.gz RGVHRLWNWLMHEG-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000192070968 357816740 /nfs/dbraw/zinc/81/67/40/357816740.db2.gz RGVHRLWNWLMHEG-GFCCVEGCSA-N 1 2 235.331 1.724 20 0 BDADLO COc1ccc[nH+]c1NC[C@@H](C)C[C@@H](C)O ZINC000397882762 357781447 /nfs/dbraw/zinc/78/14/47/357781447.db2.gz ORJBAPJEHGUUKE-VHSXEESVSA-N 1 2 224.304 1.909 20 0 BDADLO COc1ccc[nH+]c1NC[C@H](C)C[C@@H](C)O ZINC000397882759 357781467 /nfs/dbraw/zinc/78/14/67/357781467.db2.gz ORJBAPJEHGUUKE-NXEZZACHSA-N 1 2 224.304 1.909 20 0 BDADLO COC(=O)[C@@H](C)NCc1c[nH+]c2c(C)cccn12 ZINC000193101894 357861237 /nfs/dbraw/zinc/86/12/37/357861237.db2.gz ANRJAQFDSWZJKS-SNVBAGLBSA-N 1 2 247.298 1.294 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1csnn1 ZINC000398231999 357867873 /nfs/dbraw/zinc/86/78/73/357867873.db2.gz JCDUHVRKBXITKN-XINAWCOVSA-N 1 2 241.238 1.112 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@]2(C)CO)no1 ZINC000546104145 325265968 /nfs/dbraw/zinc/26/59/68/325265968.db2.gz HNEQMDRZGMGSBX-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@]2(C)CO)no1 ZINC000546104145 325265971 /nfs/dbraw/zinc/26/59/71/325265971.db2.gz HNEQMDRZGMGSBX-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO Cc1cc2c(N(C)Cc3[nH]cc[nH+]3)nccn2n1 ZINC000583746120 357932316 /nfs/dbraw/zinc/93/23/16/357932316.db2.gz CXERUSOLWAMADA-UHFFFAOYSA-N 1 2 242.286 1.397 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)(F)F ZINC000583762711 357938032 /nfs/dbraw/zinc/93/80/32/357938032.db2.gz DOPPINPGJFCUQW-JGVFFNPUSA-N 1 2 245.273 1.748 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)(F)F ZINC000583762711 357938035 /nfs/dbraw/zinc/93/80/35/357938035.db2.gz DOPPINPGJFCUQW-JGVFFNPUSA-N 1 2 245.273 1.748 20 0 BDADLO Cc1cccnc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639939841 357949320 /nfs/dbraw/zinc/94/93/20/357949320.db2.gz RHDIFXRUFWUJNM-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)CCCCC2 ZINC000584461701 357985697 /nfs/dbraw/zinc/98/56/97/357985697.db2.gz QTOVUYIGKWCTKX-UHFFFAOYSA-N 1 2 233.315 1.676 20 0 BDADLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000628457578 358016692 /nfs/dbraw/zinc/01/66/92/358016692.db2.gz FDZFLUGGPTXTGN-NSHDSACASA-N 1 2 227.283 1.279 20 0 BDADLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000628457578 358016693 /nfs/dbraw/zinc/01/66/93/358016693.db2.gz FDZFLUGGPTXTGN-NSHDSACASA-N 1 2 227.283 1.279 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000639968874 358021885 /nfs/dbraw/zinc/02/18/85/358021885.db2.gz VHKOBOWPSHDKBP-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000639968874 358021886 /nfs/dbraw/zinc/02/18/86/358021886.db2.gz VHKOBOWPSHDKBP-UHFFFAOYSA-N 1 2 246.314 1.049 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)CCC[C@@H](C)O ZINC000639970086 358022968 /nfs/dbraw/zinc/02/29/68/358022968.db2.gz BFRCYLYYKVLKJE-SECBINFHSA-N 1 2 211.309 1.311 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)CCC[C@@H](C)O ZINC000639970086 358022970 /nfs/dbraw/zinc/02/29/70/358022970.db2.gz BFRCYLYYKVLKJE-SECBINFHSA-N 1 2 211.309 1.311 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1conc1C ZINC000639971487 358030292 /nfs/dbraw/zinc/03/02/92/358030292.db2.gz QVKFLVQJQPYFJG-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1conc1C ZINC000639971487 358030295 /nfs/dbraw/zinc/03/02/95/358030295.db2.gz QVKFLVQJQPYFJG-UHFFFAOYSA-N 1 2 220.276 1.647 20 0 BDADLO Cc1[nH]ncc1C[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639972515 358030734 /nfs/dbraw/zinc/03/07/34/358030734.db2.gz UIQWIKPUHMXYII-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639972515 358030737 /nfs/dbraw/zinc/03/07/37/358030737.db2.gz UIQWIKPUHMXYII-GFCCVEGCSA-N 1 2 237.347 1.965 20 0 BDADLO Cn1ccc(C[NH2+]Cc2ncccn2)c1 ZINC000584540856 358049148 /nfs/dbraw/zinc/04/91/48/358049148.db2.gz NHQRUAAPEVJFKG-UHFFFAOYSA-N 1 2 202.261 1.105 20 0 BDADLO CC[N@@H+](Cc1nc(C2CC2)no1)C[C@@H](C)O ZINC000352220964 535390186 /nfs/dbraw/zinc/39/01/86/535390186.db2.gz KMWMKBSUPHVEQI-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CC[N@H+](Cc1nc(C2CC2)no1)C[C@@H](C)O ZINC000352220964 535390190 /nfs/dbraw/zinc/39/01/90/535390190.db2.gz KMWMKBSUPHVEQI-MRVPVSSYSA-N 1 2 225.292 1.150 20 0 BDADLO CCc1nnc(C[NH+]2CCC(C)(F)CC2)[nH]1 ZINC000640071711 358162617 /nfs/dbraw/zinc/16/26/17/358162617.db2.gz RKXFAANQBPGMQQ-UHFFFAOYSA-N 1 2 226.299 1.691 20 0 BDADLO CC(C)(C)c1ncc(C[NH2+]Cc2cc[nH]n2)cn1 ZINC000385439979 358171205 /nfs/dbraw/zinc/17/12/05/358171205.db2.gz SCYXFUASGLJKNJ-UHFFFAOYSA-N 1 2 245.330 1.787 20 0 BDADLO CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)OC ZINC000584784137 358177457 /nfs/dbraw/zinc/17/74/57/358177457.db2.gz MAGNTRZKRCFUNK-MNOVXSKESA-N 1 2 239.319 1.375 20 0 BDADLO CC(C)c1nc(N[C@H](C)CCCCO)cc[nH+]1 ZINC000450643562 202223052 /nfs/dbraw/zinc/22/30/52/202223052.db2.gz BJCHVCBXDAPPIO-LLVKDONJSA-N 1 2 237.347 1.985 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000450669919 202230152 /nfs/dbraw/zinc/23/01/52/202230152.db2.gz DACWFFJRCKPWPM-VHSXEESVSA-N 1 2 239.319 1.792 20 0 BDADLO CC(C)c1nc(N[C@@H](C)CCCCO)cc[nH+]1 ZINC000450643564 202223803 /nfs/dbraw/zinc/22/38/03/202223803.db2.gz BJCHVCBXDAPPIO-NSHDSACASA-N 1 2 237.347 1.985 20 0 BDADLO CC(C)c1nc(N[C@@H](C)CC(C)(C)O)cc[nH+]1 ZINC000450693371 202236548 /nfs/dbraw/zinc/23/65/48/202236548.db2.gz OAESPKUIFXDBKB-JTQLQIEISA-N 1 2 237.347 1.983 20 0 BDADLO Cc1nc2[nH]ccc2c(N[C@H](C)CC(C)(C)O)[nH+]1 ZINC000450700044 202239788 /nfs/dbraw/zinc/23/97/88/202239788.db2.gz ZJUKNYRXXDDROA-MRVPVSSYSA-N 1 2 248.330 1.650 20 0 BDADLO COC(=O)Cc1ccc(CCn2cc[nH+]c2)cc1 ZINC000584595342 358252517 /nfs/dbraw/zinc/25/25/17/358252517.db2.gz QLAUUJPFJWSZAC-UHFFFAOYSA-N 1 2 244.294 1.841 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H](C)CO ZINC000450740351 202250325 /nfs/dbraw/zinc/25/03/25/202250325.db2.gz UZQSUUXFWJGAFW-AXFHLTTASA-N 1 2 231.336 1.181 20 0 BDADLO CCC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC000450735966 202251728 /nfs/dbraw/zinc/25/17/28/202251728.db2.gz CUZNIQWKVJNCTG-SNVBAGLBSA-N 1 2 231.336 1.469 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000450762897 202259884 /nfs/dbraw/zinc/25/98/84/202259884.db2.gz OHIOGXFEKDJZJI-LBPRGKRZSA-N 1 2 236.319 1.196 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000450762897 202259887 /nfs/dbraw/zinc/25/98/87/202259887.db2.gz OHIOGXFEKDJZJI-LBPRGKRZSA-N 1 2 236.319 1.196 20 0 BDADLO CO[C@H]1CCN(c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000450770757 202260918 /nfs/dbraw/zinc/26/09/18/202260918.db2.gz IUUSJNWPJATPCP-ONGXEEELSA-N 1 2 221.304 1.646 20 0 BDADLO CO[C@@H]1CCN(c2cc(C)[nH+]cn2)C[C@H]1C ZINC000450770756 202261948 /nfs/dbraw/zinc/26/19/48/202261948.db2.gz IUUSJNWPJATPCP-MWLCHTKSSA-N 1 2 221.304 1.646 20 0 BDADLO COC[C@H]([NH2+][C@H](C(=O)OC)C1CC1)C(C)C ZINC000227770583 358362687 /nfs/dbraw/zinc/36/26/87/358362687.db2.gz CLRSUIWXNNILRZ-QWRGUYRKSA-N 1 2 229.320 1.199 20 0 BDADLO c1cn(CCCCNc2ncccn2)c[nH+]1 ZINC000045108304 358401517 /nfs/dbraw/zinc/40/15/17/358401517.db2.gz IUEGSHCAABBLGP-UHFFFAOYSA-N 1 2 217.276 1.565 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCSCC ZINC000610998782 358425046 /nfs/dbraw/zinc/42/50/46/358425046.db2.gz VZEGZUBYEUZUOS-JTQLQIEISA-N 1 2 249.376 1.249 20 0 BDADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCSCC ZINC000610998782 358425048 /nfs/dbraw/zinc/42/50/48/358425048.db2.gz VZEGZUBYEUZUOS-JTQLQIEISA-N 1 2 249.376 1.249 20 0 BDADLO CCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023802478 358435979 /nfs/dbraw/zinc/43/59/79/358435979.db2.gz NZEKOFZUELWSME-UHFFFAOYSA-N 1 2 239.344 1.870 20 0 BDADLO CCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023802478 358435982 /nfs/dbraw/zinc/43/59/82/358435982.db2.gz NZEKOFZUELWSME-UHFFFAOYSA-N 1 2 239.344 1.870 20 0 BDADLO CCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130165832 358611790 /nfs/dbraw/zinc/61/17/90/358611790.db2.gz YEGIGXCQMFQZQI-JTQLQIEISA-N 1 2 221.304 1.362 20 0 BDADLO Cn1nccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000130261695 358615445 /nfs/dbraw/zinc/61/54/45/358615445.db2.gz NZBDOULNJHCDJW-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO Cn1nccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000130261695 358615446 /nfs/dbraw/zinc/61/54/46/358615446.db2.gz NZBDOULNJHCDJW-CYBMUJFWSA-N 1 2 247.298 1.587 20 0 BDADLO CC(C)(C)c1cnc(C[N@H+](CCO)C2CC2)o1 ZINC000048347594 358628963 /nfs/dbraw/zinc/62/89/63/358628963.db2.gz CHUYPUAJPMAGEY-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)(C)c1cnc(C[N@@H+](CCO)C2CC2)o1 ZINC000048347594 358628967 /nfs/dbraw/zinc/62/89/67/358628967.db2.gz CHUYPUAJPMAGEY-UHFFFAOYSA-N 1 2 238.331 1.929 20 0 BDADLO CC(C)CCC(=O)NCCCn1cc[nH+]c1 ZINC000047465649 358589602 /nfs/dbraw/zinc/58/96/02/358589602.db2.gz BOPAWOCLHQVBQB-UHFFFAOYSA-N 1 2 223.320 1.826 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNC(=O)C1CC1 ZINC000131265611 358667131 /nfs/dbraw/zinc/66/71/31/358667131.db2.gz FWJXQBOBZOCZAH-UHFFFAOYSA-N 1 2 221.304 1.565 20 0 BDADLO COc1ncccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176451905 134291640 /nfs/dbraw/zinc/29/16/40/134291640.db2.gz RUXKHOAIWDRMAV-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO Cn1cc[nH+]c1CN1CCOCC12CCC2 ZINC000135538398 325417108 /nfs/dbraw/zinc/41/71/08/325417108.db2.gz MPZIJZHLRHZFCS-UHFFFAOYSA-N 1 2 221.304 1.175 20 0 BDADLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCOC2)c(C)[nH]1 ZINC000134274254 358785655 /nfs/dbraw/zinc/78/56/55/358785655.db2.gz FKTHNJADTMALRB-NSHDSACASA-N 1 2 236.315 1.535 20 0 BDADLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCOC2)c(C)[nH]1 ZINC000134274254 358785659 /nfs/dbraw/zinc/78/56/59/358785659.db2.gz FKTHNJADTMALRB-NSHDSACASA-N 1 2 236.315 1.535 20 0 BDADLO COCC[C@]1([NH2+]CC(F)F)CCOC1 ZINC000308627606 491137467 /nfs/dbraw/zinc/13/74/67/491137467.db2.gz XHPRELZCKUQEMV-VIFPVBQESA-N 1 2 209.236 1.037 20 0 BDADLO CCO[C@H]1C[C@@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000578288499 366474055 /nfs/dbraw/zinc/47/40/55/366474055.db2.gz RJUINEBGRXHFNC-RYUDHWBXSA-N 1 2 249.314 1.997 20 0 BDADLO CCO[C@@H]1C[C@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000578288500 366474325 /nfs/dbraw/zinc/47/43/25/366474325.db2.gz RJUINEBGRXHFNC-VXGBXAGGSA-N 1 2 249.314 1.997 20 0 BDADLO Cc1ccc2[nH+]c(CN3CCO[C@@H](C)C3)cn2c1 ZINC000054172089 358854873 /nfs/dbraw/zinc/85/48/73/358854873.db2.gz GHXKVSDOLYSRBL-LBPRGKRZSA-N 1 2 245.326 1.863 20 0 BDADLO CC[C@H](Nc1nccc(OC)n1)c1[nH]cc[nH+]1 ZINC000139823646 358915070 /nfs/dbraw/zinc/91/50/70/358915070.db2.gz OUYCIBPADAJCJR-QMMMGPOBSA-N 1 2 233.275 1.772 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)[nH]1 ZINC000640220766 358889895 /nfs/dbraw/zinc/88/98/95/358889895.db2.gz OQMBCIOPJHXWGV-SCZZXKLOSA-N 1 2 246.318 1.495 20 0 BDADLO C[C@H](CC(=O)N1CC[C@@H]1C(F)F)n1cc[nH+]c1 ZINC000633238436 358969965 /nfs/dbraw/zinc/96/99/65/358969965.db2.gz IBSCTOYIZZSRIX-RKDXNWHRSA-N 1 2 243.257 1.700 20 0 BDADLO CC[C@@H](NC(=O)c1ocnc1C)c1[nH]cc[nH+]1 ZINC000140619011 358923914 /nfs/dbraw/zinc/92/39/14/358923914.db2.gz CCWSOEDBQCZJJQ-MRVPVSSYSA-N 1 2 234.259 1.587 20 0 BDADLO CC[C@@H](NC(=O)C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000140692343 358924943 /nfs/dbraw/zinc/92/49/43/358924943.db2.gz QITAVZHFDKXSOA-NXEZZACHSA-N 1 2 237.303 1.546 20 0 BDADLO C[C@@H](Cc1nc([C@@H]2CCCO2)no1)n1cc[nH+]c1 ZINC000351417396 366524368 /nfs/dbraw/zinc/52/43/68/366524368.db2.gz QTBSZMBVVRLVKR-UWVGGRQHSA-N 1 2 248.286 1.921 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1ccc(F)cc1F ZINC000070990038 359068739 /nfs/dbraw/zinc/06/87/39/359068739.db2.gz YJKOBAUVIBOKII-UHFFFAOYSA-N 1 2 237.209 1.618 20 0 BDADLO Cc1noc(C)c1CCC(=O)NCc1[nH]cc[nH+]1 ZINC000070990001 359068908 /nfs/dbraw/zinc/06/89/08/359068908.db2.gz OWRMTTQPBQGZAI-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc2ccccc2[nH]1 ZINC000070990115 359069020 /nfs/dbraw/zinc/06/90/20/359069020.db2.gz AGPRXBNULZNRQC-UHFFFAOYSA-N 1 2 240.266 1.821 20 0 BDADLO CCOC(=O)[C@@H](CC)N(C)Cc1[nH]cc[nH+]1 ZINC000611191089 359100593 /nfs/dbraw/zinc/10/05/93/359100593.db2.gz ICMVVEKYVKFHCH-SECBINFHSA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(=O)[C@H](CC)N(C)Cc1[nH]cc[nH+]1 ZINC000611191090 359100667 /nfs/dbraw/zinc/10/06/67/359100667.db2.gz ICMVVEKYVKFHCH-VIFPVBQESA-N 1 2 225.292 1.183 20 0 BDADLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1nccn1C ZINC000070445508 359055356 /nfs/dbraw/zinc/05/53/56/359055356.db2.gz VIRIQHSYTRFIKL-WCQYABFASA-N 1 2 245.326 1.804 20 0 BDADLO Cn1cc(Cl)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070651613 359061594 /nfs/dbraw/zinc/06/15/94/359061594.db2.gz RUWCKAONQVKCGB-UHFFFAOYSA-N 1 2 238.678 1.332 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@H+](C)[C@@H]1C=CCCC1 ZINC000611210154 359142480 /nfs/dbraw/zinc/14/24/80/359142480.db2.gz RWGVZDRNZHADHI-VXGBXAGGSA-N 1 2 241.331 1.605 20 0 BDADLO CCOC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000611210154 359142481 /nfs/dbraw/zinc/14/24/81/359142481.db2.gz RWGVZDRNZHADHI-VXGBXAGGSA-N 1 2 241.331 1.605 20 0 BDADLO Cn1c[nH+]cc1CNCc1ncc(Cl)s1 ZINC000308868792 491139253 /nfs/dbraw/zinc/13/92/53/491139253.db2.gz HWURYQNIUQBWDB-UHFFFAOYSA-N 1 2 242.735 1.820 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000247704534 359241610 /nfs/dbraw/zinc/24/16/10/359241610.db2.gz RRABVGQSPWRACO-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000247704534 359241616 /nfs/dbraw/zinc/24/16/16/359241616.db2.gz RRABVGQSPWRACO-RYUDHWBXSA-N 1 2 242.363 1.402 20 0 BDADLO CCOC(=O)C1(CNc2cc(CC)[nH+]cn2)CC1 ZINC000613700815 363628157 /nfs/dbraw/zinc/62/81/57/363628157.db2.gz NRQOFJHVIHHAFN-UHFFFAOYSA-N 1 2 249.314 1.216 20 0 BDADLO CCCCNC(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000247951774 359249196 /nfs/dbraw/zinc/24/91/96/359249196.db2.gz FDDHKDGXJJBZBA-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCCCNC(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000247951774 359249204 /nfs/dbraw/zinc/24/92/04/359249204.db2.gz FDDHKDGXJJBZBA-MNOVXSKESA-N 1 2 228.336 1.012 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000248168987 359257286 /nfs/dbraw/zinc/25/72/86/359257286.db2.gz UIGSOVHLPRMNBH-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000248168987 359257288 /nfs/dbraw/zinc/25/72/88/359257288.db2.gz UIGSOVHLPRMNBH-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1c[nH]nc1C ZINC000611274634 359288511 /nfs/dbraw/zinc/28/85/11/359288511.db2.gz FJDJNMFLYRMXEE-LLVKDONJSA-N 1 2 239.319 1.492 20 0 BDADLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1c[nH]nc1C ZINC000611274634 359288513 /nfs/dbraw/zinc/28/85/13/359288513.db2.gz FJDJNMFLYRMXEE-LLVKDONJSA-N 1 2 239.319 1.492 20 0 BDADLO CCOC(=O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258541 359276966 /nfs/dbraw/zinc/27/69/66/359276966.db2.gz XGRBEJCFFCQUSW-UHFFFAOYSA-N 1 2 248.326 1.824 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000078656581 359340962 /nfs/dbraw/zinc/34/09/62/359340962.db2.gz VHMPEHLXUNJIKA-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000078656581 359340968 /nfs/dbraw/zinc/34/09/68/359340968.db2.gz VHMPEHLXUNJIKA-NSHDSACASA-N 1 2 242.363 1.258 20 0 BDADLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC000611895876 359476058 /nfs/dbraw/zinc/47/60/58/359476058.db2.gz BSYRBJFSSSJCOZ-GHMZBOCLSA-N 1 2 247.342 1.973 20 0 BDADLO Cc1cc(N2CC(=O)N[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000450785925 202265387 /nfs/dbraw/zinc/26/53/87/202265387.db2.gz OSQFBUYVEMRPCP-JTQLQIEISA-N 1 2 248.330 1.233 20 0 BDADLO Cc1cc(N2CC(C)(CO)C2)nc(C2CC2)[nH+]1 ZINC000450789335 202266681 /nfs/dbraw/zinc/26/66/81/202266681.db2.gz GFJOXZXRVATZKZ-UHFFFAOYSA-N 1 2 233.315 1.481 20 0 BDADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)[C@H](C)O ZINC000450804250 202270255 /nfs/dbraw/zinc/27/02/55/202270255.db2.gz XWHILNYASPUMFE-UWVGGRQHSA-N 1 2 223.320 1.593 20 0 BDADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)[C@@H](C)O ZINC000450801266 202270376 /nfs/dbraw/zinc/27/03/76/202270376.db2.gz RMTXEBNXZZBZED-KOLCDFICSA-N 1 2 235.331 1.656 20 0 BDADLO CC[C@@H](O)[C@H](CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000450862912 202291858 /nfs/dbraw/zinc/29/18/58/202291858.db2.gz RFAIYTGWFHVMLT-WDEREUQCSA-N 1 2 235.331 1.737 20 0 BDADLO Cc1ccncc1C[N@H+](C)Cc1cccnc1N ZINC000450891829 202300814 /nfs/dbraw/zinc/30/08/14/202300814.db2.gz LPDOBEDYZNQAFB-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1ccncc1C[N@@H+](C)Cc1cccnc1N ZINC000450891829 202300816 /nfs/dbraw/zinc/30/08/16/202300816.db2.gz LPDOBEDYZNQAFB-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO C[C@@H](O)CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000450923024 202305960 /nfs/dbraw/zinc/30/59/60/202305960.db2.gz BTPJZAQRFWJOTP-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000450923024 202305963 /nfs/dbraw/zinc/30/59/63/202305963.db2.gz BTPJZAQRFWJOTP-RKDXNWHRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000450923022 202310902 /nfs/dbraw/zinc/31/09/02/202310902.db2.gz BTPJZAQRFWJOTP-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H](O)CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000450923022 202310906 /nfs/dbraw/zinc/31/09/06/202310906.db2.gz BTPJZAQRFWJOTP-DTWKUNHWSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)[C@@H]1C ZINC000451071883 202346301 /nfs/dbraw/zinc/34/63/01/202346301.db2.gz MYFJNTLVJGQKAW-NXEZZACHSA-N 1 2 220.320 1.528 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)[C@@H]1C ZINC000451071883 202346305 /nfs/dbraw/zinc/34/63/05/202346305.db2.gz MYFJNTLVJGQKAW-NXEZZACHSA-N 1 2 220.320 1.528 20 0 BDADLO c1n[nH]nc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000451071799 202347192 /nfs/dbraw/zinc/34/71/92/202347192.db2.gz CFOFLQQLXMNFLE-SNVBAGLBSA-N 1 2 206.293 1.427 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000451071799 202347194 /nfs/dbraw/zinc/34/71/94/202347194.db2.gz CFOFLQQLXMNFLE-SNVBAGLBSA-N 1 2 206.293 1.427 20 0 BDADLO C[N@H+](Cc1ccncc1Cl)C(C)(C)C(N)=O ZINC000451143994 202364606 /nfs/dbraw/zinc/36/46/06/202364606.db2.gz ZEVQLIVIOCVIJF-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO C[N@@H+](Cc1ccncc1Cl)C(C)(C)C(N)=O ZINC000451143994 202364607 /nfs/dbraw/zinc/36/46/07/202364607.db2.gz ZEVQLIVIOCVIJF-UHFFFAOYSA-N 1 2 241.722 1.431 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)[C@H](C)O1 ZINC000451173539 202369500 /nfs/dbraw/zinc/36/95/00/202369500.db2.gz ZONDQNIZZORPQA-CSMHCCOUSA-N 1 2 205.248 1.940 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451110076 202355715 /nfs/dbraw/zinc/35/57/15/202355715.db2.gz BXGNQBAGMBLXBN-JQWIXIFHSA-N 1 2 229.295 1.762 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451110076 202355718 /nfs/dbraw/zinc/35/57/18/202355718.db2.gz BXGNQBAGMBLXBN-JQWIXIFHSA-N 1 2 229.295 1.762 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451119779 202357675 /nfs/dbraw/zinc/35/76/75/202357675.db2.gz HQBRSSVBBOROAP-NSHDSACASA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451119779 202357679 /nfs/dbraw/zinc/35/76/79/202357679.db2.gz HQBRSSVBBOROAP-NSHDSACASA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451183862 202373495 /nfs/dbraw/zinc/37/34/95/202373495.db2.gz JJTDDFZKFWBHDF-NWDGAFQWSA-N 1 2 244.354 1.923 20 0 BDADLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451183862 202373500 /nfs/dbraw/zinc/37/35/00/202373500.db2.gz JJTDDFZKFWBHDF-NWDGAFQWSA-N 1 2 244.354 1.923 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451195510 202376472 /nfs/dbraw/zinc/37/64/72/202376472.db2.gz XRYDKNJMOOHFCF-IJLUTSLNSA-N 1 2 242.338 1.820 20 0 BDADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@@H](F)C1 ZINC000451195510 202376475 /nfs/dbraw/zinc/37/64/75/202376475.db2.gz XRYDKNJMOOHFCF-IJLUTSLNSA-N 1 2 242.338 1.820 20 0 BDADLO CCc1noc(C)c1C[N@@H+](CC)C1COC1 ZINC000451283354 202393955 /nfs/dbraw/zinc/39/39/55/202393955.db2.gz HBNLPIKADWBVRL-UHFFFAOYSA-N 1 2 224.304 1.766 20 0 BDADLO CCc1noc(C)c1C[N@H+](CC)C1COC1 ZINC000451283354 202393958 /nfs/dbraw/zinc/39/39/58/202393958.db2.gz HBNLPIKADWBVRL-UHFFFAOYSA-N 1 2 224.304 1.766 20 0 BDADLO CC[C@H](C[NH2+][C@H](C)c1cn[nH]c1C)OC ZINC000309186436 491145999 /nfs/dbraw/zinc/14/59/99/491145999.db2.gz OWFLZPNFFSUDGN-PSASIEDQSA-N 1 2 211.309 1.794 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCCO1 ZINC000578684473 366627021 /nfs/dbraw/zinc/62/70/21/366627021.db2.gz IJCWSBZTZRHOSN-JTQLQIEISA-N 1 2 207.277 1.106 20 0 BDADLO CO[C@H]1C[C@@H](N(C)c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000578781010 366647576 /nfs/dbraw/zinc/64/75/76/366647576.db2.gz VHPWWOGYDLZSFY-AOOOYVTPSA-N 1 2 246.314 1.880 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1Cc2ccccc21 ZINC000088452464 359955674 /nfs/dbraw/zinc/95/56/74/359955674.db2.gz VFANYQVUPSKOSY-LLVKDONJSA-N 1 2 227.267 1.366 20 0 BDADLO Cc1cc(CNc2nc(C)[nH+]cc2C)n(C)n1 ZINC000578882284 366668016 /nfs/dbraw/zinc/66/80/16/366668016.db2.gz JKOYUQFAJRONGJ-UHFFFAOYSA-N 1 2 231.303 1.169 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCOC2(C)C)C1 ZINC000578906954 366673915 /nfs/dbraw/zinc/67/39/15/366673915.db2.gz SFVBBVHPQWGHPA-JTQLQIEISA-N 1 2 240.347 1.012 20 0 BDADLO CCc1nocc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000612746815 360040101 /nfs/dbraw/zinc/04/01/01/360040101.db2.gz GHDUOIIIZAEQBV-UHFFFAOYSA-N 1 2 245.282 1.923 20 0 BDADLO Cc1nc(C[N@@H+]2CCOC[C@H]2C2CC2)oc1C ZINC000090009067 360054009 /nfs/dbraw/zinc/05/40/09/360054009.db2.gz CHGRLDOINRSCBL-LBPRGKRZSA-N 1 2 236.315 1.902 20 0 BDADLO Cc1nc(C[N@H+]2CCOC[C@H]2C2CC2)oc1C ZINC000090009067 360054011 /nfs/dbraw/zinc/05/40/11/360054011.db2.gz CHGRLDOINRSCBL-LBPRGKRZSA-N 1 2 236.315 1.902 20 0 BDADLO CCCN(CC(=O)OC)Cc1c[nH+]cn1CC ZINC000090235877 360067393 /nfs/dbraw/zinc/06/73/93/360067393.db2.gz LZUNNTUYNSCODW-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnn(CC)c1 ZINC000091980391 360139989 /nfs/dbraw/zinc/13/99/89/360139989.db2.gz MDYALNGTQLDICH-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnn(CC)c1 ZINC000091980391 360139992 /nfs/dbraw/zinc/13/99/92/360139992.db2.gz MDYALNGTQLDICH-LBPRGKRZSA-N 1 2 223.320 1.514 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000091964784 360138514 /nfs/dbraw/zinc/13/85/14/360138514.db2.gz TWUKRWRXNVYSKQ-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000091964784 360138518 /nfs/dbraw/zinc/13/85/18/360138518.db2.gz TWUKRWRXNVYSKQ-CYBMUJFWSA-N 1 2 237.347 1.965 20 0 BDADLO C[N@H+](Cc1cccc(O)c1)Cc1cnccn1 ZINC000092591556 360184729 /nfs/dbraw/zinc/18/47/29/360184729.db2.gz QPWSBFQGPBXQDT-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO C[N@@H+](Cc1cccc(O)c1)Cc1cnccn1 ZINC000092591556 360184733 /nfs/dbraw/zinc/18/47/33/360184733.db2.gz QPWSBFQGPBXQDT-UHFFFAOYSA-N 1 2 229.283 1.814 20 0 BDADLO CCCc1noc(C[N@H+](C)CCOCC)n1 ZINC000093316406 360229523 /nfs/dbraw/zinc/22/95/23/360229523.db2.gz GJDSBZRDFJFTKW-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCCc1noc(C[N@@H+](C)CCOCC)n1 ZINC000093316406 360229525 /nfs/dbraw/zinc/22/95/25/360229525.db2.gz GJDSBZRDFJFTKW-UHFFFAOYSA-N 1 2 227.308 1.490 20 0 BDADLO CCOCC[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000093316476 360229528 /nfs/dbraw/zinc/22/95/28/360229528.db2.gz ZLYVZJZLMXRBPN-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO CCOCC[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000093316476 360229530 /nfs/dbraw/zinc/22/95/30/360229530.db2.gz ZLYVZJZLMXRBPN-VIFPVBQESA-N 1 2 227.308 1.661 20 0 BDADLO O=C(CCc1ccncc1)NCc1c[nH+]c[nH]1 ZINC000093394819 360240097 /nfs/dbraw/zinc/24/00/97/360240097.db2.gz VLAQHEUPBRNHDN-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO O=C(CCc1ccncc1)NCc1c[nH]c[nH+]1 ZINC000093394819 360240101 /nfs/dbraw/zinc/24/01/01/360240101.db2.gz VLAQHEUPBRNHDN-UHFFFAOYSA-N 1 2 230.271 1.054 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000093773292 360275557 /nfs/dbraw/zinc/27/55/57/360275557.db2.gz KJZUMVQSNAYVIC-LLVKDONJSA-N 1 2 241.331 1.605 20 0 BDADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000093773292 360275559 /nfs/dbraw/zinc/27/55/59/360275559.db2.gz KJZUMVQSNAYVIC-LLVKDONJSA-N 1 2 241.331 1.605 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cnc[nH]1 ZINC000093863981 360284529 /nfs/dbraw/zinc/28/45/29/360284529.db2.gz LXNRKYXBIOFLCR-GFCCVEGCSA-N 1 2 245.330 1.653 20 0 BDADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cnc[nH]1 ZINC000093863981 360284532 /nfs/dbraw/zinc/28/45/32/360284532.db2.gz LXNRKYXBIOFLCR-GFCCVEGCSA-N 1 2 245.330 1.653 20 0 BDADLO COc1ncccc1C[NH2+][C@H](C)c1nncn1C ZINC000095006999 360330221 /nfs/dbraw/zinc/33/02/21/360330221.db2.gz MEEDGFOVDTWIQP-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096785741 360353727 /nfs/dbraw/zinc/35/37/27/360353727.db2.gz BTSYLOQTZCJWLR-NWDGAFQWSA-N 1 2 247.342 1.847 20 0 BDADLO CCC[C@H]([NH2+]CCn1cccn1)C(=O)OCC ZINC000096593542 360349920 /nfs/dbraw/zinc/34/99/20/360349920.db2.gz NLGAGTGVGYKMSM-NSHDSACASA-N 1 2 239.319 1.205 20 0 BDADLO O=C(Nc1cccnc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000096643016 360350895 /nfs/dbraw/zinc/35/08/95/360350895.db2.gz HXXKTHGOSGLEKW-JTQLQIEISA-N 1 2 242.282 1.479 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)C1CC1 ZINC000061190421 360315144 /nfs/dbraw/zinc/31/51/44/360315144.db2.gz VVMQQQVHZNZTJV-UHFFFAOYSA-N 1 2 201.220 1.872 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)C1CC1 ZINC000061190421 360315148 /nfs/dbraw/zinc/31/51/48/360315148.db2.gz VVMQQQVHZNZTJV-UHFFFAOYSA-N 1 2 201.220 1.872 20 0 BDADLO CCC[C@H]([NH2+]C[C@@H]1CCCCO1)C(=O)OCC ZINC000097988332 360385317 /nfs/dbraw/zinc/38/53/17/360385317.db2.gz FBVRLTCVDZBKLX-RYUDHWBXSA-N 1 2 243.347 1.877 20 0 BDADLO O=C(Nc1ccccn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096785925 360355563 /nfs/dbraw/zinc/35/55/63/360355563.db2.gz XHBRYOANRSHOKH-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614150780 363736957 /nfs/dbraw/zinc/73/69/57/363736957.db2.gz CNBOPTNVAZLRCS-ORXSELOVSA-N 1 2 245.326 1.429 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614150780 363736959 /nfs/dbraw/zinc/73/69/59/363736959.db2.gz CNBOPTNVAZLRCS-ORXSELOVSA-N 1 2 245.326 1.429 20 0 BDADLO NC(=O)c1cccc(C[NH2+]Cc2cscn2)c1 ZINC000040504180 181303447 /nfs/dbraw/zinc/30/34/47/181303447.db2.gz KBAXZWYVJHKWAD-UHFFFAOYSA-N 1 2 247.323 1.532 20 0 BDADLO NC(=O)c1cccc(COc2cc[nH+]cc2)c1 ZINC000356088218 181303513 /nfs/dbraw/zinc/30/35/13/181303513.db2.gz DUADOUSEWOKNSZ-UHFFFAOYSA-N 1 2 228.251 1.760 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000628823353 360680371 /nfs/dbraw/zinc/68/03/71/360680371.db2.gz OUNMZCLLVOTCJN-NWDGAFQWSA-N 1 2 249.314 1.041 20 0 BDADLO NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112625946 181305697 /nfs/dbraw/zinc/30/56/97/181305697.db2.gz XNWUJPQBOSXOBA-UHFFFAOYSA-N 1 2 214.224 1.973 20 0 BDADLO CCC(F)(F)CNC(=O)CCn1cc[nH+]c1 ZINC000628844592 360700189 /nfs/dbraw/zinc/70/01/89/360700189.db2.gz UZLDTRVPPSILCT-UHFFFAOYSA-N 1 2 231.246 1.435 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912229 360745049 /nfs/dbraw/zinc/74/50/49/360745049.db2.gz GAVWDRPBJVHEJG-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCCC(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912229 360745053 /nfs/dbraw/zinc/74/50/53/360745053.db2.gz GAVWDRPBJVHEJG-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913811 360746847 /nfs/dbraw/zinc/74/68/47/360746847.db2.gz DNJUXEMZOKXZKH-NEPJUHHUSA-N 1 2 242.363 1.115 20 0 BDADLO CC(C)C[C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913811 360746852 /nfs/dbraw/zinc/74/68/52/360746852.db2.gz DNJUXEMZOKXZKH-NEPJUHHUSA-N 1 2 242.363 1.115 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628915410 360750183 /nfs/dbraw/zinc/75/01/83/360750183.db2.gz RVRPTTGDSLFQBW-SRVKXCTJSA-N 1 2 242.363 1.115 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628915410 360750186 /nfs/dbraw/zinc/75/01/86/360750186.db2.gz RVRPTTGDSLFQBW-SRVKXCTJSA-N 1 2 242.363 1.115 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628915409 360750416 /nfs/dbraw/zinc/75/04/16/360750416.db2.gz RVRPTTGDSLFQBW-SDDRHHMPSA-N 1 2 242.363 1.115 20 0 BDADLO CC[C@H](C)[C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628915409 360750421 /nfs/dbraw/zinc/75/04/21/360750421.db2.gz RVRPTTGDSLFQBW-SDDRHHMPSA-N 1 2 242.363 1.115 20 0 BDADLO CCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCC1 ZINC000628917387 360752247 /nfs/dbraw/zinc/75/22/47/360752247.db2.gz IIOSVCOIVMFALO-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO CCC1(C(=O)NC[C@H]2COCC[N@H+]2C)CCC1 ZINC000628917387 360752252 /nfs/dbraw/zinc/75/22/52/360752252.db2.gz IIOSVCOIVMFALO-NSHDSACASA-N 1 2 240.347 1.014 20 0 BDADLO C/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000629034016 360819924 /nfs/dbraw/zinc/81/99/24/360819924.db2.gz ZVMCOAODIWPZEL-MXQLGCADSA-N 1 2 219.288 1.138 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2C[C@H]2C)[nH+]1 ZINC000629103061 360879003 /nfs/dbraw/zinc/87/90/03/360879003.db2.gz AHXBTURPRXQDCJ-HTRCEHHLSA-N 1 2 209.318 1.946 20 0 BDADLO C[C@H]1CCCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000424886950 200805020 /nfs/dbraw/zinc/80/50/20/200805020.db2.gz FHUOSHDWPXVHCC-AAEUAGOBSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1cc(C[NH2+]Cc2cccc(N(C)C)n2)on1 ZINC000631105198 361145843 /nfs/dbraw/zinc/14/58/43/361145843.db2.gz IHVOXIHZSNCMNX-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO COc1ccc(F)c(NCc2c[nH+]cn2C)n1 ZINC000579140631 366723523 /nfs/dbraw/zinc/72/35/23/366723523.db2.gz LLCLDOJUJZCDLJ-UHFFFAOYSA-N 1 2 236.250 1.575 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cnccn2)cn1 ZINC000428247827 201004346 /nfs/dbraw/zinc/00/43/46/201004346.db2.gz OKLPGIHXDGRWMI-LLVKDONJSA-N 1 2 243.314 1.768 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cnccn2)cn1 ZINC000428247827 201004349 /nfs/dbraw/zinc/00/43/49/201004349.db2.gz OKLPGIHXDGRWMI-LLVKDONJSA-N 1 2 243.314 1.768 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@H](F)C1 ZINC000579025215 366699336 /nfs/dbraw/zinc/69/93/36/366699336.db2.gz ZWSSBPNIVKULPZ-JGVFFNPUSA-N 1 2 240.282 1.760 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@H](F)C1 ZINC000579025215 366699339 /nfs/dbraw/zinc/69/93/39/366699339.db2.gz ZWSSBPNIVKULPZ-JGVFFNPUSA-N 1 2 240.282 1.760 20 0 BDADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC000428351247 201010735 /nfs/dbraw/zinc/01/07/35/201010735.db2.gz NKEPDAQNHAXEJD-SECBINFHSA-N 1 2 245.330 1.921 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cccn1C ZINC000428449250 201018829 /nfs/dbraw/zinc/01/88/29/201018829.db2.gz SSENEKPUEAYSPK-CYBMUJFWSA-N 1 2 249.358 1.468 20 0 BDADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccn1C ZINC000428449250 201018831 /nfs/dbraw/zinc/01/88/31/201018831.db2.gz SSENEKPUEAYSPK-CYBMUJFWSA-N 1 2 249.358 1.468 20 0 BDADLO OCCOc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000428863603 201044586 /nfs/dbraw/zinc/04/45/86/201044586.db2.gz ZBSWZCSZSVPJDK-UHFFFAOYSA-N 1 2 248.282 1.336 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cn[nH]c1 ZINC000614252902 363771391 /nfs/dbraw/zinc/77/13/91/363771391.db2.gz BVZPCBUWAXWFNI-GXSJLCMTSA-N 1 2 237.303 1.183 20 0 BDADLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cn[nH]c1 ZINC000614252902 363771393 /nfs/dbraw/zinc/77/13/93/363771393.db2.gz BVZPCBUWAXWFNI-GXSJLCMTSA-N 1 2 237.303 1.183 20 0 BDADLO C[C@H](CC(=O)N(C)CC[C@H](C)O)n1cc[nH+]c1 ZINC000579250372 366746581 /nfs/dbraw/zinc/74/65/81/366746581.db2.gz UTHKRAZGJWXMRW-MNOVXSKESA-N 1 2 239.319 1.064 20 0 BDADLO Cc1nnnn1Cc1[nH+]ccn1-c1ccccc1 ZINC000429250093 201083952 /nfs/dbraw/zinc/08/39/52/201083952.db2.gz WFCXCRZWHMTUQI-UHFFFAOYSA-N 1 2 240.270 1.216 20 0 BDADLO C[C@@H]1C[C@H]1c1noc(CCc2c[nH]c[nH+]2)n1 ZINC000579258625 366751845 /nfs/dbraw/zinc/75/18/45/366751845.db2.gz UKPXOQJNGGCECL-VXNVDRBHSA-N 1 2 218.260 1.701 20 0 BDADLO C[C@@H]1C[C@H]1c1noc(CCc2c[nH+]c[nH]2)n1 ZINC000579258625 366751850 /nfs/dbraw/zinc/75/18/50/366751850.db2.gz UKPXOQJNGGCECL-VXNVDRBHSA-N 1 2 218.260 1.701 20 0 BDADLO COC(=O)C1(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC000579346425 366764311 /nfs/dbraw/zinc/76/43/11/366764311.db2.gz VFTHKQKPWPEVHT-UHFFFAOYSA-N 1 2 232.283 1.350 20 0 BDADLO COC(=O)C1(C[N@H+]2Cc3cccnc3C2)CC1 ZINC000579346425 366764317 /nfs/dbraw/zinc/76/43/17/366764317.db2.gz VFTHKQKPWPEVHT-UHFFFAOYSA-N 1 2 232.283 1.350 20 0 BDADLO C1=C[C@@H]([N@@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000429291601 201095168 /nfs/dbraw/zinc/09/51/68/201095168.db2.gz UYICNJGFOUETII-SECBINFHSA-N 1 2 204.277 1.272 20 0 BDADLO C1=C[C@@H]([N@H+]2CCc3n[nH]nc3C2)CCC1 ZINC000429291601 201095169 /nfs/dbraw/zinc/09/51/69/201095169.db2.gz UYICNJGFOUETII-SECBINFHSA-N 1 2 204.277 1.272 20 0 BDADLO CSCC[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000429698276 201126639 /nfs/dbraw/zinc/12/66/39/201126639.db2.gz MDSVJHZQSFGBDK-ZETCQYMHSA-N 1 2 215.322 1.734 20 0 BDADLO CSCC[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000429698276 201126644 /nfs/dbraw/zinc/12/66/44/201126644.db2.gz MDSVJHZQSFGBDK-ZETCQYMHSA-N 1 2 215.322 1.734 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cc2sccc2[nH]1 ZINC000429903668 201135373 /nfs/dbraw/zinc/13/53/73/201135373.db2.gz YYCZENUZFXSNHN-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cc2sccc2[nH]1 ZINC000429903668 201135375 /nfs/dbraw/zinc/13/53/75/201135375.db2.gz YYCZENUZFXSNHN-UHFFFAOYSA-N 1 2 246.295 1.883 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1cc(C)ccc1F ZINC000430129827 201147370 /nfs/dbraw/zinc/14/73/70/201147370.db2.gz IZKPSFQWSRPYTQ-UHFFFAOYSA-N 1 2 238.306 1.831 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1cc(C)ccc1F ZINC000430129827 201147372 /nfs/dbraw/zinc/14/73/72/201147372.db2.gz IZKPSFQWSRPYTQ-UHFFFAOYSA-N 1 2 238.306 1.831 20 0 BDADLO COc1ccc(NCC2=CCCOC2)[nH+]c1 ZINC000309909222 491158069 /nfs/dbraw/zinc/15/80/69/491158069.db2.gz LPWYKXJCAONMHA-UHFFFAOYSA-N 1 2 220.272 1.849 20 0 BDADLO CCC(F)(F)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000629595443 361482073 /nfs/dbraw/zinc/48/20/73/361482073.db2.gz POAHGTIEYBXKPN-ZCFIWIBFSA-N 1 2 235.196 1.935 20 0 BDADLO CO[C@@H](C)C[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000433308230 201178985 /nfs/dbraw/zinc/17/89/85/201178985.db2.gz XXGARUJVDFHKGB-UFBFGSQYSA-N 1 2 239.319 1.628 20 0 BDADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cnns1 ZINC000381639186 361506377 /nfs/dbraw/zinc/50/63/77/361506377.db2.gz OXQIJCAPJLCVTG-LURJTMIESA-N 1 2 238.316 1.994 20 0 BDADLO CCOCC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000433296743 201176748 /nfs/dbraw/zinc/17/67/48/201176748.db2.gz UCLRFENTFZPOOQ-LBPRGKRZSA-N 1 2 239.319 1.629 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000614378279 363798405 /nfs/dbraw/zinc/79/84/05/363798405.db2.gz DKOUBPCMVLEHNY-LLVKDONJSA-N 1 2 245.326 1.693 20 0 BDADLO CC1=CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000614378279 363798408 /nfs/dbraw/zinc/79/84/08/363798408.db2.gz DKOUBPCMVLEHNY-LLVKDONJSA-N 1 2 245.326 1.693 20 0 BDADLO COC1CCN(c2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000433786342 201194611 /nfs/dbraw/zinc/19/46/11/201194611.db2.gz WZGFXLGNPXNYNX-UHFFFAOYSA-N 1 2 246.314 1.882 20 0 BDADLO CC(C)OC(C)(C)C(=O)NCCn1cc[nH+]c1 ZINC000448548739 201210635 /nfs/dbraw/zinc/21/06/35/201210635.db2.gz WSYHPFMWBTZBGB-UHFFFAOYSA-N 1 2 239.319 1.203 20 0 BDADLO COc1cccc([C@H]([NH3+])c2nc(C)no2)c1 ZINC000629676115 361598780 /nfs/dbraw/zinc/59/87/80/361598780.db2.gz CIZVTZXNDOGOQK-JTQLQIEISA-N 1 2 219.244 1.435 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000434493193 201223437 /nfs/dbraw/zinc/22/34/37/201223437.db2.gz SDVMOUSRJCZKHP-VIFPVBQESA-N 1 2 234.307 1.433 20 0 BDADLO O[C@@H](CNc1cc[nH+]c2ccncc12)C(F)F ZINC000435588971 201278034 /nfs/dbraw/zinc/27/80/34/201278034.db2.gz NRTQGYFEFAYFIM-JTQLQIEISA-N 1 2 239.225 1.090 20 0 BDADLO CNc1ccc(-c2c(C)noc2C)c[nH+]1 ZINC000629712546 361649928 /nfs/dbraw/zinc/64/99/28/361649928.db2.gz YJBOABBVFOGLMZ-UHFFFAOYSA-N 1 2 203.245 1.817 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CCC(C)(C)O ZINC000435789403 201287261 /nfs/dbraw/zinc/28/72/61/201287261.db2.gz DYHOYONBSNTZEX-UHFFFAOYSA-N 1 2 235.291 1.029 20 0 BDADLO Cc1ccc(CNC(=O)C[NH+]2CC(C)(C)C2)o1 ZINC000634312832 361661340 /nfs/dbraw/zinc/66/13/40/361661340.db2.gz FFZLQEZFXDYGLY-UHFFFAOYSA-N 1 2 236.315 1.546 20 0 BDADLO COCCn1cc(-c2ccc(N)[nH+]c2)cn1 ZINC000629750050 361682956 /nfs/dbraw/zinc/68/29/56/361682956.db2.gz BOIWXNBSWQIZJY-UHFFFAOYSA-N 1 2 218.260 1.004 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cccnc1 ZINC000380175152 361696848 /nfs/dbraw/zinc/69/68/48/361696848.db2.gz NCKKRUUKYNHXDW-SNAWJCMRSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC12CC2 ZINC000629830701 361729662 /nfs/dbraw/zinc/72/96/62/361729662.db2.gz NFFPKWOWWDOVQN-NSHDSACASA-N 1 2 247.342 1.957 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCCC12CC2 ZINC000629830701 361729668 /nfs/dbraw/zinc/72/96/68/361729668.db2.gz NFFPKWOWWDOVQN-NSHDSACASA-N 1 2 247.342 1.957 20 0 BDADLO CN(C)c1ccc(NCC[C@H]2CCOC2)[nH+]c1 ZINC000438192278 201396785 /nfs/dbraw/zinc/39/67/85/201396785.db2.gz SCGRJBNUGBXCRY-NSHDSACASA-N 1 2 235.331 1.408 20 0 BDADLO CCOc1cc(NCCC(=O)OC)nc(C)[nH+]1 ZINC000090788053 363859103 /nfs/dbraw/zinc/85/91/03/363859103.db2.gz CVIRHISOFMLNKG-UHFFFAOYSA-N 1 2 239.275 1.159 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614602552 363905730 /nfs/dbraw/zinc/90/57/30/363905730.db2.gz FSGIDWAOBJOSFI-NQMVMOMDSA-N 1 2 219.288 1.039 20 0 BDADLO C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614602552 363905733 /nfs/dbraw/zinc/90/57/33/363905733.db2.gz FSGIDWAOBJOSFI-NQMVMOMDSA-N 1 2 219.288 1.039 20 0 BDADLO CC[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000618952882 363914619 /nfs/dbraw/zinc/91/46/19/363914619.db2.gz BEVCNPNEBAPMPR-WCQYABFASA-N 1 2 240.347 1.012 20 0 BDADLO CC[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000618952882 363914621 /nfs/dbraw/zinc/91/46/21/363914621.db2.gz BEVCNPNEBAPMPR-WCQYABFASA-N 1 2 240.347 1.012 20 0 BDADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000614700076 363929960 /nfs/dbraw/zinc/92/99/60/363929960.db2.gz CSBAECGXYJJFAM-NOOOWODRSA-N 1 2 245.326 1.360 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000614699873 363930399 /nfs/dbraw/zinc/93/03/99/363930399.db2.gz CIIAISFUUUGBPV-ZYHUDNBSSA-N 1 2 247.342 1.750 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2C[C@H]21 ZINC000614697516 363931060 /nfs/dbraw/zinc/93/10/60/363931060.db2.gz PYGPZDWUGJSTHN-IRCOFANPSA-N 1 2 245.326 1.535 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCn2ccnc21)[C@@H](O)C(F)(F)F ZINC000631716161 364088946 /nfs/dbraw/zinc/08/89/46/364088946.db2.gz JBGOKKDLXDPKJY-XLPZGREQSA-N 1 2 249.236 1.229 20 0 BDADLO C[C@H]([NH2+][C@H]1CCn2ccnc21)[C@H](O)C(F)(F)F ZINC000631716159 364088983 /nfs/dbraw/zinc/08/89/83/364088983.db2.gz JBGOKKDLXDPKJY-FXQIFTODSA-N 1 2 249.236 1.229 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccn(C)n1 ZINC000622083031 370699539 /nfs/dbraw/zinc/69/95/39/370699539.db2.gz WUPCTHTWLQCKQP-SECBINFHSA-N 1 2 247.302 1.128 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COC(C)C ZINC000622083100 370699784 /nfs/dbraw/zinc/69/97/84/370699784.db2.gz YBCAGMYXWRBUMU-SNVBAGLBSA-N 1 2 239.319 1.505 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnn(C)c1 ZINC000622082467 370699911 /nfs/dbraw/zinc/69/99/11/370699911.db2.gz NSLCVNYVIWJWFX-VIFPVBQESA-N 1 2 247.302 1.128 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCCC12CC2 ZINC000630419226 364152842 /nfs/dbraw/zinc/15/28/42/364152842.db2.gz QDRFLMDQXHDBOA-NSHDSACASA-N 1 2 248.330 1.515 20 0 BDADLO CCCN(C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000308868545 541343943 /nfs/dbraw/zinc/34/39/43/541343943.db2.gz LXXNZLOPFMSQTK-UHFFFAOYSA-N 1 2 207.281 1.177 20 0 BDADLO CCCN(C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000308868545 541343947 /nfs/dbraw/zinc/34/39/47/541343947.db2.gz LXXNZLOPFMSQTK-UHFFFAOYSA-N 1 2 207.281 1.177 20 0 BDADLO C[C@@H]1CC[C@H](n2cc([C@H]3COCC[NH2+]3)nn2)C1 ZINC000630604622 364328641 /nfs/dbraw/zinc/32/86/41/364328641.db2.gz UUKMUVYGNIXAMC-JFGNBEQYSA-N 1 2 236.319 1.300 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)c1cn[nH]c1C)C1CC1 ZINC000134594490 541358125 /nfs/dbraw/zinc/35/81/25/541358125.db2.gz YLPMERQRBXMPPQ-PRHODGIISA-N 1 2 223.320 1.794 20 0 BDADLO C[C@@H](NC(=O)C1(C)CCC(=O)CC1)c1[nH]cc[nH+]1 ZINC000615158061 364546636 /nfs/dbraw/zinc/54/66/36/364546636.db2.gz ISZNNFWYXXATEE-SECBINFHSA-N 1 2 249.314 1.736 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC1(F)F ZINC000573855595 364932524 /nfs/dbraw/zinc/93/25/24/364932524.db2.gz NZJYUMSEBXBQHT-SECBINFHSA-N 1 2 243.257 1.435 20 0 BDADLO CNc1[nH+]cnc2c1cnn2C[C@H]1CCCOC1 ZINC000573880342 364936293 /nfs/dbraw/zinc/93/62/93/364936293.db2.gz IIBPLEGHMSFKBM-SECBINFHSA-N 1 2 247.302 1.295 20 0 BDADLO CCC1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000333549658 541403313 /nfs/dbraw/zinc/40/33/13/541403313.db2.gz FKHCYOWYSHCKET-JTQLQIEISA-N 1 2 248.330 1.440 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C1CC1)C1CCC1 ZINC000573923771 364947875 /nfs/dbraw/zinc/94/78/75/364947875.db2.gz XBJLGDMJJFONBC-CQSZACIVSA-N 1 2 247.342 1.956 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C1CC1)C1CCC1 ZINC000573923771 364947877 /nfs/dbraw/zinc/94/78/77/364947877.db2.gz XBJLGDMJJFONBC-CQSZACIVSA-N 1 2 247.342 1.956 20 0 BDADLO CCn1ncnc1C[N@H+](C)CC(C)(C)OC ZINC000574038302 364973071 /nfs/dbraw/zinc/97/30/71/364973071.db2.gz DCZGUHFIQUDJRU-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO CCn1ncnc1C[N@@H+](C)CC(C)(C)OC ZINC000574038302 364973078 /nfs/dbraw/zinc/97/30/78/364973078.db2.gz DCZGUHFIQUDJRU-UHFFFAOYSA-N 1 2 226.324 1.155 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@H]1CC[C@@H]1C ZINC000379771843 365008493 /nfs/dbraw/zinc/00/84/93/365008493.db2.gz ARVIZXUORFDWCS-BQBZGAKWSA-N 1 2 208.265 1.278 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@H]1CC[C@@H]1C ZINC000379771843 365008498 /nfs/dbraw/zinc/00/84/98/365008498.db2.gz ARVIZXUORFDWCS-BQBZGAKWSA-N 1 2 208.265 1.278 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1(SC)CC1 ZINC000574219174 365012980 /nfs/dbraw/zinc/01/29/80/365012980.db2.gz IWPWBEIDZJFZOE-UHFFFAOYSA-N 1 2 239.344 1.415 20 0 BDADLO Cc1csc(N(C)C(=O)Cn2cc[nH+]c2)n1 ZINC000574566396 365090887 /nfs/dbraw/zinc/09/08/87/365090887.db2.gz HNLPABAQADHNRS-UHFFFAOYSA-N 1 2 236.300 1.311 20 0 BDADLO C[C@H](CC(C)(C)C)NC(=O)Cn1cc[nH+]c1 ZINC000574615945 365103035 /nfs/dbraw/zinc/10/30/35/365103035.db2.gz MXUZAGJLHNEFMY-SNVBAGLBSA-N 1 2 223.320 1.824 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnc[nH]1)C1CC1 ZINC000574745029 365132951 /nfs/dbraw/zinc/13/29/51/365132951.db2.gz SDLJJEQGFLHBEV-JTQLQIEISA-N 1 2 245.286 1.024 20 0 BDADLO CCC[N@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000574823864 365155166 /nfs/dbraw/zinc/15/51/66/365155166.db2.gz GODQVYCCMUSAOL-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO CCC[N@@H+](CC(N)=O)Cc1ccc(Cl)cn1 ZINC000574823864 365155172 /nfs/dbraw/zinc/15/51/72/365155172.db2.gz GODQVYCCMUSAOL-UHFFFAOYSA-N 1 2 241.722 1.432 20 0 BDADLO c1snnc1CSCC[NH+]1CCOCC1 ZINC000554397362 325718231 /nfs/dbraw/zinc/71/82/31/325718231.db2.gz BCHNWUQYNJCZOH-UHFFFAOYSA-N 1 2 245.373 1.104 20 0 BDADLO CC[C@H](F)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000443066483 193010993 /nfs/dbraw/zinc/01/09/93/193010993.db2.gz FFPMDROWPTZQPV-QMMMGPOBSA-N 1 2 234.296 1.083 20 0 BDADLO Cc1c[nH+]c(C)nc1N[C@H](C)CCCO ZINC000575137913 365219939 /nfs/dbraw/zinc/21/99/39/365219939.db2.gz ITKZWEVBFRNAHC-SECBINFHSA-N 1 2 209.293 1.088 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC(CC2CC2)C1 ZINC000622247928 370798880 /nfs/dbraw/zinc/79/88/80/370798880.db2.gz XFSYDJKWRAQFJN-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1[C@@H](C)C1(F)F)c1[nH]cc[nH+]1 ZINC000575071960 365189375 /nfs/dbraw/zinc/18/93/75/365189375.db2.gz MTLHYTUZPMUHLL-QYNIQEEDSA-N 1 2 229.230 1.488 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)C1CC1 ZINC000554596419 325729924 /nfs/dbraw/zinc/72/99/24/325729924.db2.gz KIFJBHLTWZSMIC-UHFFFAOYSA-N 1 2 235.331 1.515 20 0 BDADLO CCN(C(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC000575111864 365201514 /nfs/dbraw/zinc/20/15/14/365201514.db2.gz MQNTXYMOZBHRQJ-UHFFFAOYSA-N 1 2 221.304 1.364 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000622274587 370814843 /nfs/dbraw/zinc/81/48/43/370814843.db2.gz PRZJGJWRQYMUCU-JTQLQIEISA-N 1 2 219.288 1.190 20 0 BDADLO C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCCC1 ZINC000171730800 365230135 /nfs/dbraw/zinc/23/01/35/365230135.db2.gz PNFNQQSKQNSMRL-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCCC1 ZINC000171730800 365230137 /nfs/dbraw/zinc/23/01/37/365230137.db2.gz PNFNQQSKQNSMRL-UHFFFAOYSA-N 1 2 246.314 1.397 20 0 BDADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182246505 366877494 /nfs/dbraw/zinc/87/74/94/366877494.db2.gz AVFRWMPNPYJARJ-WOPDTQHZSA-N 1 2 243.347 1.875 20 0 BDADLO Cc1cc(NC(=O)Cn2cc[nH+]c2)cc(C)c1O ZINC000575850210 365384713 /nfs/dbraw/zinc/38/47/13/365384713.db2.gz CQKINWGCJKEFOJ-UHFFFAOYSA-N 1 2 245.282 1.844 20 0 BDADLO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000337553086 365405133 /nfs/dbraw/zinc/40/51/33/365405133.db2.gz QZCJZXMDBLGYQJ-MDZLAQPJSA-N 1 2 247.342 1.750 20 0 BDADLO COc1c(N)[nH+]cnc1N1CCC(CF)CC1 ZINC000575816909 365373602 /nfs/dbraw/zinc/37/36/02/365373602.db2.gz YUQQGWKDXCYDTK-UHFFFAOYSA-N 1 2 240.282 1.253 20 0 BDADLO COc1c(N)nc[nH+]c1N1CCC(CF)CC1 ZINC000575816909 365373604 /nfs/dbraw/zinc/37/36/04/365373604.db2.gz YUQQGWKDXCYDTK-UHFFFAOYSA-N 1 2 240.282 1.253 20 0 BDADLO Cc1nc(C[NH2+]Cc2ncccc2O)[nH]c1C ZINC000575815976 365373722 /nfs/dbraw/zinc/37/37/22/365373722.db2.gz JQFHZQYCGPCWOW-UHFFFAOYSA-N 1 2 232.287 1.417 20 0 BDADLO Cc1[nH]c(CNCc2ncccc2O)[nH+]c1C ZINC000575815976 365373725 /nfs/dbraw/zinc/37/37/25/365373725.db2.gz JQFHZQYCGPCWOW-UHFFFAOYSA-N 1 2 232.287 1.417 20 0 BDADLO C[C@H](O)COc1ccccc1-n1cc[nH+]c1 ZINC000576009738 365446863 /nfs/dbraw/zinc/44/68/63/365446863.db2.gz YGKCQZCMZDXLGA-JTQLQIEISA-N 1 2 218.256 1.632 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnccn2)CCO1 ZINC000576205927 365519955 /nfs/dbraw/zinc/51/99/55/365519955.db2.gz RQMFAGIRRYZUSL-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnccn2)CCO1 ZINC000576205927 365519962 /nfs/dbraw/zinc/51/99/62/365519962.db2.gz RQMFAGIRRYZUSL-GFCCVEGCSA-N 1 2 221.304 1.478 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000340217960 365481541 /nfs/dbraw/zinc/48/15/41/365481541.db2.gz FSWQQNOQGFXEQX-ZYHUDNBSSA-N 1 2 240.347 1.154 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CCO1 ZINC000340217960 365481548 /nfs/dbraw/zinc/48/15/48/365481548.db2.gz FSWQQNOQGFXEQX-ZYHUDNBSSA-N 1 2 240.347 1.154 20 0 BDADLO CC[C@@H](O)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000576102828 365485706 /nfs/dbraw/zinc/48/57/06/365485706.db2.gz QBLZPQQXPKCXBN-SNVBAGLBSA-N 1 2 247.298 1.971 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1O ZINC000352191003 541479923 /nfs/dbraw/zinc/47/99/23/541479923.db2.gz RLEYHKZNZMGMSB-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1O ZINC000352191003 541479929 /nfs/dbraw/zinc/47/99/29/541479929.db2.gz RLEYHKZNZMGMSB-UHFFFAOYSA-N 1 2 231.255 1.687 20 0 BDADLO C[C@@H](NC(=O)[C@@H](C)c1ccnn1C)c1[nH]cc[nH+]1 ZINC000579731847 366996840 /nfs/dbraw/zinc/99/68/40/366996840.db2.gz ORALRBYRVAEOHT-DTWKUNHWSA-N 1 2 247.302 1.124 20 0 BDADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000579850259 367050440 /nfs/dbraw/zinc/05/04/40/367050440.db2.gz RWKVJWGKIYBYHI-UHFFFAOYSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1cnccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000579916909 367078678 /nfs/dbraw/zinc/07/86/78/367078678.db2.gz CYOJTJSOZDYNFD-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1cnccc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000579916909 367078684 /nfs/dbraw/zinc/07/86/84/367078684.db2.gz CYOJTJSOZDYNFD-UHFFFAOYSA-N 1 2 249.358 1.737 20 0 BDADLO Cc1ccc(CN2C(=O)[C@@H](C)[C@H](C)C2=O)c(C)[nH+]1 ZINC000185375341 367128763 /nfs/dbraw/zinc/12/87/63/367128763.db2.gz IIWYLZOPBLEVND-UWVGGRQHSA-N 1 2 246.310 1.839 20 0 BDADLO O=C(NCCCCn1cc[nH+]c1)[C@]12C[C@H]1CCC2 ZINC000579941108 367092732 /nfs/dbraw/zinc/09/27/32/367092732.db2.gz LSRYQEFRJLBMKE-TZMCWYRMSA-N 1 2 247.342 1.970 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000580807773 367170690 /nfs/dbraw/zinc/17/06/90/367170690.db2.gz REVNKOJVIIOINV-QWRGUYRKSA-N 1 2 219.288 1.142 20 0 BDADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CCCC1 ZINC000622291241 370824965 /nfs/dbraw/zinc/82/49/65/370824965.db2.gz FHTHSKQEYUFSIO-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CCCC1 ZINC000622291241 370824970 /nfs/dbraw/zinc/82/49/70/370824970.db2.gz FHTHSKQEYUFSIO-GFCCVEGCSA-N 1 2 240.347 1.108 20 0 BDADLO C[C@H](C1CC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000622291345 370826186 /nfs/dbraw/zinc/82/61/86/370826186.db2.gz INULQBJDNJJCTO-SECBINFHSA-N 1 2 235.331 1.944 20 0 BDADLO CCCC(C)(C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000622337627 370853293 /nfs/dbraw/zinc/85/32/93/370853293.db2.gz DYXTYYUSQWNFJK-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CCCC(C)(C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000622337627 370853298 /nfs/dbraw/zinc/85/32/98/370853298.db2.gz DYXTYYUSQWNFJK-LLVKDONJSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@H](C)[C@H](CNC(=O)Cn1cc[nH+]c1)OC ZINC000580934523 367208540 /nfs/dbraw/zinc/20/85/40/367208540.db2.gz DZWUYCDXLDHRAT-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@@H]([NH2+]Cc1ncccn1)c1cccc(CO)c1 ZINC000581023097 367241047 /nfs/dbraw/zinc/24/10/47/367241047.db2.gz QWFBAYUSEQHFNZ-LLVKDONJSA-N 1 2 243.310 1.820 20 0 BDADLO Cc1ccoc1C(=O)NCCCCn1cc[nH+]c1 ZINC000060408127 367304540 /nfs/dbraw/zinc/30/45/40/367304540.db2.gz XXWQFOUHIBFDDT-UHFFFAOYSA-N 1 2 247.298 1.995 20 0 BDADLO CC[C@@](C)(CO)C(=O)Nc1cc[nH+]cc1C ZINC000581378797 367410931 /nfs/dbraw/zinc/41/09/31/367410931.db2.gz UDVGXYKZFXZSQW-LBPRGKRZSA-N 1 2 222.288 1.159 20 0 BDADLO CC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C(=O)OC ZINC000381508209 367421718 /nfs/dbraw/zinc/42/17/18/367421718.db2.gz KHZUXTUIFVJETC-RKDXNWHRSA-N 1 2 235.274 1.963 20 0 BDADLO OC[C@H]([NH2+]Cc1ccn[nH]1)C1CCCCC1 ZINC000381829045 367461132 /nfs/dbraw/zinc/46/11/32/367461132.db2.gz NCHCFXNCXBAJCJ-LBPRGKRZSA-N 1 2 223.320 1.441 20 0 BDADLO CN(C)c1ncc(C[NH2+]CC(C)(F)F)cn1 ZINC000382372487 367512013 /nfs/dbraw/zinc/51/20/13/367512013.db2.gz GSMNMDAGJQBVFR-UHFFFAOYSA-N 1 2 230.262 1.287 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000581558735 367589998 /nfs/dbraw/zinc/58/99/98/367589998.db2.gz ZBOZBZZGLJUNTE-IVZWLZJFSA-N 1 2 249.314 1.592 20 0 BDADLO COc1ccc[nH+]c1N1CCC[C@H]1C[C@@H](C)O ZINC000383493567 367629322 /nfs/dbraw/zinc/62/93/22/367629322.db2.gz CTRZCLTYQFSGKB-MNOVXSKESA-N 1 2 236.315 1.830 20 0 BDADLO C[C@H](CN1CCOCC1)[N@@H+]1Cc2cccnc2C1 ZINC000581663547 367664509 /nfs/dbraw/zinc/66/45/09/367664509.db2.gz MGJWUBLIQFGCNN-GFCCVEGCSA-N 1 2 247.342 1.118 20 0 BDADLO C[C@H](CN1CCOCC1)[N@H+]1Cc2cccnc2C1 ZINC000581663547 367664512 /nfs/dbraw/zinc/66/45/12/367664512.db2.gz MGJWUBLIQFGCNN-GFCCVEGCSA-N 1 2 247.342 1.118 20 0 BDADLO O=C(NCCCC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000581669068 367699968 /nfs/dbraw/zinc/69/99/68/367699968.db2.gz AZEGTRMYKVVTSG-LBPRGKRZSA-N 1 2 247.342 1.752 20 0 BDADLO CCC(C)(C)OCC(=O)NCc1c[nH+]c[nH]1 ZINC000622384569 370882557 /nfs/dbraw/zinc/88/25/57/370882557.db2.gz KTEMULNBVCYAHY-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CCC(C)(C)OCC(=O)NCc1c[nH]c[nH+]1 ZINC000622384569 370882561 /nfs/dbraw/zinc/88/25/61/370882561.db2.gz KTEMULNBVCYAHY-UHFFFAOYSA-N 1 2 225.292 1.231 20 0 BDADLO CC[C@H]([NH2+][C@@H]1C[C@H]1CC(C)C)C(=O)OC ZINC000385827025 367868601 /nfs/dbraw/zinc/86/86/01/367868601.db2.gz KWGVSRHVYFBPLR-OUAUKWLOSA-N 1 2 213.321 1.962 20 0 BDADLO CCn1ccnc1C[NH2+]Cc1cnccc1OC ZINC000385368237 367823528 /nfs/dbraw/zinc/82/35/28/367823528.db2.gz QFXVTPOQQOXSGY-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO CC[C@@H](C)[C@H]([NH2+]C[C@@H](CC)OC)C(=O)OC ZINC000386122747 367915575 /nfs/dbraw/zinc/91/55/75/367915575.db2.gz NHOMQLZPYUNQAO-MXWKQRLJSA-N 1 2 231.336 1.589 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000581920992 367918613 /nfs/dbraw/zinc/91/86/13/367918613.db2.gz UPGCLRMVQHZWDI-VHSXEESVSA-N 1 2 234.303 1.018 20 0 BDADLO CCCNC(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000023706760 367997418 /nfs/dbraw/zinc/99/74/18/367997418.db2.gz DUPWJQMDDAECMK-LLVKDONJSA-N 1 2 235.331 1.391 20 0 BDADLO CCCNC(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000023706760 367997422 /nfs/dbraw/zinc/99/74/22/367997422.db2.gz DUPWJQMDDAECMK-LLVKDONJSA-N 1 2 235.331 1.391 20 0 BDADLO Cc1nc(NC(=O)Cc2c[nH+]cn2C)cs1 ZINC000581962266 368025230 /nfs/dbraw/zinc/02/52/30/368025230.db2.gz MBTWATWIEHHDGZ-UHFFFAOYSA-N 1 2 236.300 1.366 20 0 BDADLO CN(C[C@@H]1CCOC1)c1cc(CO)cc[nH+]1 ZINC000399303131 368157013 /nfs/dbraw/zinc/15/70/13/368157013.db2.gz AXYDPPGINDLYLE-NSHDSACASA-N 1 2 222.288 1.047 20 0 BDADLO Cc1nn(C)cc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956169 368149776 /nfs/dbraw/zinc/14/97/76/368149776.db2.gz ONDWNRXBLASSIH-UHFFFAOYSA-N 1 2 245.330 1.802 20 0 BDADLO Cc1n[nH]cc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956774 368149867 /nfs/dbraw/zinc/14/98/67/368149867.db2.gz JRUKLMZYPYORQZ-UHFFFAOYSA-N 1 2 231.303 1.791 20 0 BDADLO CC/C=C/CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615730825 368228582 /nfs/dbraw/zinc/22/85/82/368228582.db2.gz BETKYICBTBEZPK-FSIBCCDJSA-N 1 2 233.315 1.597 20 0 BDADLO CC/C=C/CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615730825 368228584 /nfs/dbraw/zinc/22/85/84/368228584.db2.gz BETKYICBTBEZPK-FSIBCCDJSA-N 1 2 233.315 1.597 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]1C1CC1 ZINC000615686929 368203976 /nfs/dbraw/zinc/20/39/76/368203976.db2.gz WKRYDSZTKDOGDP-NEPJUHHUSA-N 1 2 245.326 1.456 20 0 BDADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]1C1CC1 ZINC000615686938 368204453 /nfs/dbraw/zinc/20/44/53/368204453.db2.gz WKRYDSZTKDOGDP-VXGBXAGGSA-N 1 2 245.326 1.456 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]1C1CC1 ZINC000615686933 368204467 /nfs/dbraw/zinc/20/44/67/368204467.db2.gz WKRYDSZTKDOGDP-NWDGAFQWSA-N 1 2 245.326 1.456 20 0 BDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1C1CC1 ZINC000615687436 368205550 /nfs/dbraw/zinc/20/55/50/368205550.db2.gz ZDURWWKEQWNRNB-IJLUTSLNSA-N 1 2 245.326 1.535 20 0 BDADLO CCn1cnc(C(=O)NCc2[nH+]ccn2CC)c1 ZINC000615710047 368217787 /nfs/dbraw/zinc/21/77/87/368217787.db2.gz LDCYTPDHEIGYGB-UHFFFAOYSA-N 1 2 247.302 1.049 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC(F)(F)F ZINC000042536068 368310333 /nfs/dbraw/zinc/31/03/33/368310333.db2.gz ASPUHNKAKAKZHD-SSDOTTSWSA-N 1 2 235.209 1.340 20 0 BDADLO C[C@@H]1C[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047500225 368463406 /nfs/dbraw/zinc/46/34/06/368463406.db2.gz USDFRTHAMXWWLJ-GHMZBOCLSA-N 1 2 248.330 1.449 20 0 BDADLO CC[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000057379662 368489315 /nfs/dbraw/zinc/48/93/15/368489315.db2.gz BZAJPQKFYHOEJP-NSHDSACASA-N 1 2 238.335 1.761 20 0 BDADLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000061779208 368570564 /nfs/dbraw/zinc/57/05/64/368570564.db2.gz UOBPPPYSWBJULR-UHFFFAOYSA-N 1 2 245.319 1.302 20 0 BDADLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000061779208 368570568 /nfs/dbraw/zinc/57/05/68/368570568.db2.gz UOBPPPYSWBJULR-UHFFFAOYSA-N 1 2 245.319 1.302 20 0 BDADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427239 368621937 /nfs/dbraw/zinc/62/19/37/368621937.db2.gz ZRSATRLNLJOMFD-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427239 368621943 /nfs/dbraw/zinc/62/19/43/368621943.db2.gz ZRSATRLNLJOMFD-WDEREUQCSA-N 1 2 242.363 1.400 20 0 BDADLO COCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456867375 202987758 /nfs/dbraw/zinc/98/77/58/202987758.db2.gz VVCQVLUHCAVEJW-UHFFFAOYSA-N 1 2 222.288 1.351 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC000068270812 368720812 /nfs/dbraw/zinc/72/08/12/368720812.db2.gz SQLFFVLNEAALKM-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cccc2c1OCCO2 ZINC000068270812 368720816 /nfs/dbraw/zinc/72/08/16/368720816.db2.gz SQLFFVLNEAALKM-LLVKDONJSA-N 1 2 249.310 1.679 20 0 BDADLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)c(C)n1 ZINC000622425554 370914117 /nfs/dbraw/zinc/91/41/17/370914117.db2.gz GTYQCCHIBMULFG-UHFFFAOYSA-N 1 2 244.298 1.993 20 0 BDADLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)C1CCC1 ZINC000457404252 203056284 /nfs/dbraw/zinc/05/62/84/203056284.db2.gz PYGVDPMZLYHEMI-JTQLQIEISA-N 1 2 235.331 1.815 20 0 BDADLO Cc1ccc(CN(C)Cc2[nH+]ccn2C)o1 ZINC000071089412 368769830 /nfs/dbraw/zinc/76/98/30/368769830.db2.gz HRQAZSKIVOPGDL-UHFFFAOYSA-N 1 2 219.288 1.954 20 0 BDADLO C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000072621205 368775421 /nfs/dbraw/zinc/77/54/21/368775421.db2.gz WVXJVXMHPJLIOV-NEPJUHHUSA-N 1 2 235.331 1.968 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000074353070 368840571 /nfs/dbraw/zinc/84/05/71/368840571.db2.gz LPTJIBZFTNCFOS-NXEZZACHSA-N 1 2 207.277 1.188 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ncc[nH]1 ZINC000615961420 368796800 /nfs/dbraw/zinc/79/68/00/368796800.db2.gz RLFBTWSNENKADU-MRVPVSSYSA-N 1 2 233.275 1.117 20 0 BDADLO COC(=O)[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(C)(C)C ZINC000616111050 368957863 /nfs/dbraw/zinc/95/78/63/368957863.db2.gz AILJKOOZUOTNBE-OUAUKWLOSA-N 1 2 243.347 1.731 20 0 BDADLO Cc1cc(C)c(CNC(=O)[C@@H](O)C2CC2)c[nH+]1 ZINC000616114752 368959788 /nfs/dbraw/zinc/95/97/88/368959788.db2.gz CYWNDDHPSUUBHG-LBPRGKRZSA-N 1 2 234.299 1.086 20 0 BDADLO C[C@@H]1CCC(C)(C)N1C(=O)Cc1c[nH+]cn1C ZINC000616165651 369000347 /nfs/dbraw/zinc/00/03/47/369000347.db2.gz SHHZHGPZYCELHD-SNVBAGLBSA-N 1 2 235.331 1.752 20 0 BDADLO C[C@H]([NH2+]Cc1cn(C)nn1)c1cccc(F)c1 ZINC000054858965 369105663 /nfs/dbraw/zinc/10/56/63/369105663.db2.gz PLGTXGJQNZVSKO-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO C[C@@H]1CC[C@H](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457860608 203112739 /nfs/dbraw/zinc/11/27/39/203112739.db2.gz OTOKHSZEDOJKDR-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO CC(C)[C@@H](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457863729 203112768 /nfs/dbraw/zinc/11/27/68/203112768.db2.gz SMHCEDAYLFMUND-NSHDSACASA-N 1 2 237.347 1.761 20 0 BDADLO C[C@@H]1CCC[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457853250 203111304 /nfs/dbraw/zinc/11/13/04/203111304.db2.gz JBTIDDZQAJZISN-NEPJUHHUSA-N 1 2 249.358 1.905 20 0 BDADLO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)s1 ZINC000457885219 203117089 /nfs/dbraw/zinc/11/70/89/203117089.db2.gz PSMYWLOCDWLDTF-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO CC(C)CCC(=O)NCCc1cn(C)c[nH+]1 ZINC000457882777 203117553 /nfs/dbraw/zinc/11/75/53/203117553.db2.gz NKEHQNMZRVYHTH-UHFFFAOYSA-N 1 2 223.320 1.515 20 0 BDADLO NC(=O)C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000618608763 369183787 /nfs/dbraw/zinc/18/37/87/369183787.db2.gz XDYSZSXATGKHIJ-UHFFFAOYSA-N 1 2 236.290 1.523 20 0 BDADLO NC(=O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000618608763 369183790 /nfs/dbraw/zinc/18/37/90/369183790.db2.gz XDYSZSXATGKHIJ-UHFFFAOYSA-N 1 2 236.290 1.523 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnnn1CC ZINC000459301674 203249145 /nfs/dbraw/zinc/24/91/45/203249145.db2.gz MRVSWPWFADUHTB-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnnn1CC ZINC000459301674 203249146 /nfs/dbraw/zinc/24/91/46/203249146.db2.gz MRVSWPWFADUHTB-MNOVXSKESA-N 1 2 238.335 1.297 20 0 BDADLO COCc1cccc(C[NH+]2CC(OC)C2)c1 ZINC000459583919 203308009 /nfs/dbraw/zinc/30/80/09/203308009.db2.gz PQLLIFPPBZYCRQ-UHFFFAOYSA-N 1 2 221.300 1.664 20 0 BDADLO COC1(C)C[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000459585032 203308112 /nfs/dbraw/zinc/30/81/12/203308112.db2.gz OOTYOZRMWLWJHN-UHFFFAOYSA-N 1 2 241.360 1.430 20 0 BDADLO CC[C@@H](C)C[NH2+][C@](CC)(COC)C(=O)OC ZINC000459563060 203300069 /nfs/dbraw/zinc/30/00/69/203300069.db2.gz UJUJAQLASIFYMU-ZYHUDNBSSA-N 1 2 231.336 1.590 20 0 BDADLO CC[C@H](C)C[NH2+][C@](CC)(COC)C(=O)OC ZINC000459563055 203300113 /nfs/dbraw/zinc/30/01/13/203300113.db2.gz UJUJAQLASIFYMU-CMPLNLGQSA-N 1 2 231.336 1.590 20 0 BDADLO COCc1nc(C[N@H+](C)C2CC(C)(C)C2)no1 ZINC000459738864 203349425 /nfs/dbraw/zinc/34/94/25/203349425.db2.gz JSGYKNAEWILKLM-UHFFFAOYSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@@H+](C)C2CC(C)(C)C2)no1 ZINC000459738864 203349428 /nfs/dbraw/zinc/34/94/28/203349428.db2.gz JSGYKNAEWILKLM-UHFFFAOYSA-N 1 2 239.319 1.836 20 0 BDADLO CCOC(=O)[C@H](CC)N(C)Cc1c[nH+]c[nH]1 ZINC000619511081 369453782 /nfs/dbraw/zinc/45/37/82/369453782.db2.gz CXJUUVQUWMFHRE-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO CCOC(=O)[C@H](CC)N(C)Cc1c[nH]c[nH+]1 ZINC000619511081 369453788 /nfs/dbraw/zinc/45/37/88/369453788.db2.gz CXJUUVQUWMFHRE-JTQLQIEISA-N 1 2 225.292 1.183 20 0 BDADLO Cc1cc(C(=O)NCC2CC2)c2[nH+]ccn2c1 ZINC000623694390 369453795 /nfs/dbraw/zinc/45/37/95/369453795.db2.gz DKAZSSAISOOHLE-UHFFFAOYSA-N 1 2 229.283 1.783 20 0 BDADLO COCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631029876 370956179 /nfs/dbraw/zinc/95/61/79/370956179.db2.gz JQKMTVPLVLPOKP-UHFFFAOYSA-N 1 2 232.287 1.316 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2COC[C@@H]2OC)cs1 ZINC000459761813 203359091 /nfs/dbraw/zinc/35/90/91/203359091.db2.gz VBAQDPPZSRTLMA-ZJUUUORDSA-N 1 2 242.344 1.209 20 0 BDADLO COC[C@@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459744812 203352678 /nfs/dbraw/zinc/35/26/78/203352678.db2.gz XXMYMMNTPKIVRV-JTQLQIEISA-N 1 2 225.263 1.149 20 0 BDADLO COC[C@@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC000459744812 203352680 /nfs/dbraw/zinc/35/26/80/203352680.db2.gz XXMYMMNTPKIVRV-JTQLQIEISA-N 1 2 225.263 1.149 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cn[nH]c1 ZINC000260219465 370984197 /nfs/dbraw/zinc/98/41/97/370984197.db2.gz VWRFRAAWKZSHCZ-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cn[nH]c1 ZINC000260219465 370984202 /nfs/dbraw/zinc/98/42/02/370984202.db2.gz VWRFRAAWKZSHCZ-NSHDSACASA-N 1 2 237.303 1.327 20 0 BDADLO CC(C)c1nc(NCc2cnn(C)c2)cc[nH+]1 ZINC000110267130 369690224 /nfs/dbraw/zinc/69/02/24/369690224.db2.gz PWTKWMNUISZBLZ-UHFFFAOYSA-N 1 2 231.303 1.946 20 0 BDADLO CC(C)c1nc(NCC(C)(C)O)cc[nH+]1 ZINC000110523491 369850208 /nfs/dbraw/zinc/85/02/08/369850208.db2.gz YDMNVLAUKPEPOI-UHFFFAOYSA-N 1 2 209.293 1.783 20 0 BDADLO O=C(CCCn1cc[nH+]c1)NCC(F)(F)F ZINC000620413385 369867333 /nfs/dbraw/zinc/86/73/33/369867333.db2.gz OWBNPRVWXFBRKH-UHFFFAOYSA-N 1 2 235.209 1.342 20 0 BDADLO C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1[nH+]ccn1C ZINC000620600492 369950387 /nfs/dbraw/zinc/95/03/87/369950387.db2.gz OEHKTTZGHAAOKE-NKWVEPMBSA-N 1 2 249.236 1.796 20 0 BDADLO CO[C@@H](C(=O)N[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000620603017 369950583 /nfs/dbraw/zinc/95/05/83/369950583.db2.gz DRTHOYAGTRICFE-NXEZZACHSA-N 1 2 239.319 1.268 20 0 BDADLO C[C@@H](NC(=O)c1ncccc1O)c1[nH+]ccn1C ZINC000620604148 369951888 /nfs/dbraw/zinc/95/18/88/369951888.db2.gz PDIGOIWMJRUCLV-MRVPVSSYSA-N 1 2 246.270 1.012 20 0 BDADLO C[C@@H](NC(=O)C1=CCCC1)c1[nH+]ccn1C ZINC000620604485 369953385 /nfs/dbraw/zinc/95/33/85/369953385.db2.gz UMIZSPLFHJULMA-SECBINFHSA-N 1 2 219.288 1.708 20 0 BDADLO CCC[C@@H](O)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620605095 369953524 /nfs/dbraw/zinc/95/35/24/369953524.db2.gz YXCSJMNWSSOUDW-VHSXEESVSA-N 1 2 239.319 1.148 20 0 BDADLO CO[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)C1CC1 ZINC000620605784 369954650 /nfs/dbraw/zinc/95/46/50/369954650.db2.gz KCXXCVFUWGNAJH-WCBMZHEXSA-N 1 2 237.303 1.022 20 0 BDADLO CC[C@](C)(OC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620605549 369954844 /nfs/dbraw/zinc/95/48/44/369954844.db2.gz GMMKEQRPJFDVIN-SKDRFNHKSA-N 1 2 239.319 1.412 20 0 BDADLO C[C@@H](NC(=O)C1CC2(CC2)C1)c1[nH+]ccn1C ZINC000620608926 369955769 /nfs/dbraw/zinc/95/57/69/369955769.db2.gz PQYLSECCPHKTCM-SECBINFHSA-N 1 2 233.315 1.788 20 0 BDADLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)co1 ZINC000620606737 369955994 /nfs/dbraw/zinc/95/59/94/369955994.db2.gz ZLSCOSCTOPXEFW-VIFPVBQESA-N 1 2 233.271 1.813 20 0 BDADLO C[C@H](NC(=O)[C@H]1CC12CC2)c1[nH+]ccn1C ZINC000620610167 369956947 /nfs/dbraw/zinc/95/69/47/369956947.db2.gz FOLVYLLDLWWMCD-DTWKUNHWSA-N 1 2 219.288 1.397 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594788 369947512 /nfs/dbraw/zinc/94/75/12/369947512.db2.gz FGUGAQYOBHMGCM-KXUCPTDWSA-N 1 2 237.303 1.022 20 0 BDADLO C[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)n1cccn1 ZINC000620596640 369947729 /nfs/dbraw/zinc/94/77/29/369947729.db2.gz QEZUSBZIKGYOQN-VHSXEESVSA-N 1 2 247.302 1.055 20 0 BDADLO C[C@@H](NC(=O)CCc1ccco1)c1[nH+]ccn1C ZINC000620597438 369948072 /nfs/dbraw/zinc/94/80/72/369948072.db2.gz OIWOSIPTSCRALN-SNVBAGLBSA-N 1 2 247.298 1.823 20 0 BDADLO CC1(C)CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000620736528 369985221 /nfs/dbraw/zinc/98/52/21/369985221.db2.gz VWAWAAQSTBJLGC-UHFFFAOYSA-N 1 2 207.277 1.188 20 0 BDADLO CN(C[C@@H]1CC1(C)C)C(=O)Cc1c[nH+]cn1C ZINC000621045055 370080213 /nfs/dbraw/zinc/08/02/13/370080213.db2.gz VAPFJRYQEPLSMM-JTQLQIEISA-N 1 2 235.331 1.467 20 0 BDADLO Cc1cc(N)nc(SC[C@H]2CCO[C@H]2C)[nH+]1 ZINC000631005902 370144562 /nfs/dbraw/zinc/14/45/62/370144562.db2.gz OQCBQKKGNHLROW-DTWKUNHWSA-N 1 2 239.344 1.715 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000621218124 370165539 /nfs/dbraw/zinc/16/55/39/370165539.db2.gz VNBWNWVSYZIFOJ-OPASDULOSA-N 1 2 245.326 1.526 20 0 BDADLO CC12CC(C1)CN2C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000621218124 370165543 /nfs/dbraw/zinc/16/55/43/370165543.db2.gz VNBWNWVSYZIFOJ-OPASDULOSA-N 1 2 245.326 1.526 20 0 BDADLO Cc1nnc2n1CC[N@@H+](Cc1ccnc(C)c1)C2 ZINC000621255743 370187938 /nfs/dbraw/zinc/18/79/38/370187938.db2.gz BWVKGINVFQDZDP-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO Cc1nnc2n1CC[N@H+](Cc1ccnc(C)c1)C2 ZINC000621255743 370187939 /nfs/dbraw/zinc/18/79/39/370187939.db2.gz BWVKGINVFQDZDP-UHFFFAOYSA-N 1 2 243.314 1.306 20 0 BDADLO C[C@H]1CCN(c2cccc[nH+]2)C[C@H]1CO ZINC000621348139 370282716 /nfs/dbraw/zinc/28/27/16/370282716.db2.gz SPMNBOZAYGVCFV-QWRGUYRKSA-N 1 2 206.289 1.536 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373436 370312735 /nfs/dbraw/zinc/31/27/35/370312735.db2.gz IIKVQUIDDKZJRY-OPRDCNLKSA-N 1 2 241.360 1.549 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373436 370312738 /nfs/dbraw/zinc/31/27/38/370312738.db2.gz IIKVQUIDDKZJRY-OPRDCNLKSA-N 1 2 241.360 1.549 20 0 BDADLO CC(C)OC(=O)CCNc1nc[nH+]c2c1CCC2 ZINC000076920270 370367186 /nfs/dbraw/zinc/36/71/86/370367186.db2.gz TWAPSMAENWYWSQ-UHFFFAOYSA-N 1 2 249.314 1.719 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000094687838 370447585 /nfs/dbraw/zinc/44/75/85/370447585.db2.gz LSLQWYYEWAGDEK-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000094687838 370447589 /nfs/dbraw/zinc/44/75/89/370447589.db2.gz LSLQWYYEWAGDEK-CYBMUJFWSA-N 1 2 249.310 1.920 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000621717460 370466397 /nfs/dbraw/zinc/46/63/97/370466397.db2.gz FGQGKWVGOKQSQL-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nccnc1C[N@H+]1CCOC2(CCC2)C1 ZINC000621717460 370466401 /nfs/dbraw/zinc/46/64/01/370466401.db2.gz FGQGKWVGOKQSQL-UHFFFAOYSA-N 1 2 233.315 1.540 20 0 BDADLO Cc1nccnc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000621717147 370466523 /nfs/dbraw/zinc/46/65/23/370466523.db2.gz XOMGTCJQZNBQMR-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO Cc1nccnc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000621717147 370466527 /nfs/dbraw/zinc/46/65/27/370466527.db2.gz XOMGTCJQZNBQMR-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000621721424 370472344 /nfs/dbraw/zinc/47/23/44/370472344.db2.gz OITYMTQQAJNJQG-SECBINFHSA-N 1 2 235.331 1.850 20 0 BDADLO COC[C@H](C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621730886 370483977 /nfs/dbraw/zinc/48/39/77/370483977.db2.gz XXWMDUQMXXKKQT-SECBINFHSA-N 1 2 239.319 1.086 20 0 BDADLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccsc1 ZINC000078037928 370519184 /nfs/dbraw/zinc/51/91/84/370519184.db2.gz VFFKMIVLEUREOZ-JTQLQIEISA-N 1 2 249.339 1.865 20 0 BDADLO Cc1[nH]ncc1C[NH+]1CC(CC2CC2)C1 ZINC000621740450 370499544 /nfs/dbraw/zinc/49/95/44/370499544.db2.gz QMXDVNAGHUGEPD-UHFFFAOYSA-N 1 2 205.305 1.950 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621857180 370568268 /nfs/dbraw/zinc/56/82/68/370568268.db2.gz SJDNKCDXZPUYRM-UWVGGRQHSA-N 1 2 235.331 1.992 20 0 BDADLO Cn1c[nH+]c(CCNc2nc(C3CC3)ns2)c1 ZINC000313463704 370588530 /nfs/dbraw/zinc/58/85/30/370588530.db2.gz UABONAHPXHLKEM-UHFFFAOYSA-N 1 2 249.343 1.804 20 0 BDADLO CC(C)(C(=O)N1CCC=C(F)C1)c1c[nH+]c[nH]1 ZINC000621940896 370611340 /nfs/dbraw/zinc/61/13/40/370611340.db2.gz CCHRGOJEAGCERH-UHFFFAOYSA-N 1 2 237.278 1.773 20 0 BDADLO CC(F)(F)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000622624372 371021884 /nfs/dbraw/zinc/02/18/84/371021884.db2.gz HAWSDYYMPIOVBI-UHFFFAOYSA-N 1 2 231.246 1.504 20 0 BDADLO O=c1ccc(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c[nH]1 ZINC000631069250 371292142 /nfs/dbraw/zinc/29/21/42/371292142.db2.gz QVGQCMUSLZNFPF-ZDUSSCGKSA-N 1 2 247.342 1.361 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ccn(C)n2)o1 ZINC000020351113 371269275 /nfs/dbraw/zinc/26/92/75/371269275.db2.gz YUALWFNFVLCSMU-UHFFFAOYSA-N 1 2 205.261 1.611 20 0 BDADLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cn[nH]c1)CC2 ZINC000624046796 371271707 /nfs/dbraw/zinc/27/17/07/371271707.db2.gz LTGOEYFEGKWIED-SECBINFHSA-N 1 2 245.286 1.116 20 0 BDADLO COc1ccc[nH+]c1N1CCn2cc(C)nc2C1 ZINC000624093733 371303358 /nfs/dbraw/zinc/30/33/58/371303358.db2.gz GBMXZMRGWPOVHH-UHFFFAOYSA-N 1 2 244.298 1.615 20 0 BDADLO C/C=C\CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000624165885 371359965 /nfs/dbraw/zinc/35/99/65/371359965.db2.gz MPTCXGLOEKPNQT-OAQKJQOQSA-N 1 2 236.319 1.839 20 0 BDADLO CCC[C@H](C[NH2+][C@H](C)c1ncn(C)n1)OC ZINC000391830845 371338431 /nfs/dbraw/zinc/33/84/31/371338431.db2.gz PJEHKCVEQYHJEC-NXEZZACHSA-N 1 2 226.324 1.281 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N(C)C[C@@H](C)O)[nH+]1 ZINC000631072957 371340314 /nfs/dbraw/zinc/34/03/14/371340314.db2.gz HYSGSDKQPKVQKW-SECBINFHSA-N 1 2 248.330 1.898 20 0 BDADLO CCC(F)(F)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000624147700 371343480 /nfs/dbraw/zinc/34/34/80/371343480.db2.gz IQRIELHPOFRTJU-QMMMGPOBSA-N 1 2 241.303 1.199 20 0 BDADLO C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1cccc(C#N)c1 ZINC000392382799 371379338 /nfs/dbraw/zinc/37/93/38/371379338.db2.gz NEMMVHTXKJAXKV-MRVPVSSYSA-N 1 2 243.270 1.233 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000627368837 371585466 /nfs/dbraw/zinc/58/54/66/371585466.db2.gz DMMMPJRXPCRVCF-MRVPVSSYSA-N 1 2 219.288 1.341 20 0 BDADLO C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000627368837 371585472 /nfs/dbraw/zinc/58/54/72/371585472.db2.gz DMMMPJRXPCRVCF-MRVPVSSYSA-N 1 2 219.288 1.341 20 0 BDADLO Cc1cncc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000627369484 371587757 /nfs/dbraw/zinc/58/77/57/371587757.db2.gz VJNFFUQYOZACMA-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO Cc1cncc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000627369484 371587758 /nfs/dbraw/zinc/58/77/58/371587758.db2.gz VJNFFUQYOZACMA-UHFFFAOYSA-N 1 2 242.282 1.312 20 0 BDADLO COC(=O)[C@@H](NCCn1cc[nH+]c1)C(C)(C)C ZINC000132054752 371750529 /nfs/dbraw/zinc/75/05/29/371750529.db2.gz AONIHYJHFDDCRS-SNVBAGLBSA-N 1 2 239.319 1.060 20 0 BDADLO C[C@H]1C[C@H](NC(=O)C23CC(C2)C3)c2[nH+]ccn21 ZINC000627658461 371817357 /nfs/dbraw/zinc/81/73/57/371817357.db2.gz CACXJGIWKGDGBI-SVPDRVBRSA-N 1 2 231.299 1.805 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C12CC(C1)C2 ZINC000627658308 371817768 /nfs/dbraw/zinc/81/77/68/371817768.db2.gz WTNGCHPPJIQXKU-TTXORMCVSA-N 1 2 233.315 1.880 20 0 BDADLO CCn1c[nH+]cc1CN1CCCC(=O)C1 ZINC000134212242 372180707 /nfs/dbraw/zinc/18/07/07/372180707.db2.gz RSBLMBCPFRYIHZ-UHFFFAOYSA-N 1 2 207.277 1.068 20 0 BDADLO CCc1cc(N[C@@H](C)[C@@H](CO)SC)nc[nH+]1 ZINC000218891616 372163984 /nfs/dbraw/zinc/16/39/84/372163984.db2.gz CUUOZHZEADLMJS-WCBMZHEXSA-N 1 2 241.360 1.563 20 0 BDADLO CC(C)c1nc2[nH]ccc2c(N2CC(CO)C2)[nH+]1 ZINC000631205260 372235654 /nfs/dbraw/zinc/23/56/54/372235654.db2.gz YSHYJSHNKZCXQB-UHFFFAOYSA-N 1 2 246.314 1.510 20 0 BDADLO CO[C@H](C)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631240778 372255353 /nfs/dbraw/zinc/25/53/53/372255353.db2.gz OEUJNJLXCATXPM-MRVPVSSYSA-N 1 2 246.314 1.704 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc(C)n(C)n2)o1 ZINC000631242515 372256878 /nfs/dbraw/zinc/25/68/78/372256878.db2.gz JQXXXPYCZATJPJ-UHFFFAOYSA-N 1 2 219.288 1.920 20 0 BDADLO CC(C)n1ncnc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631261657 372267467 /nfs/dbraw/zinc/26/74/67/372267467.db2.gz JFIBGQRXMAREKE-HTQZYQBOSA-N 1 2 248.252 1.899 20 0 BDADLO Cc1ccoc1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000631281114 372275342 /nfs/dbraw/zinc/27/53/42/372275342.db2.gz AXOUOFTWOLOHII-UHFFFAOYSA-N 1 2 233.275 1.130 20 0 BDADLO Cc1ccoc1CN(C)c1nc(N)nc(C)[nH+]1 ZINC000631281114 372275347 /nfs/dbraw/zinc/27/53/47/372275347.db2.gz AXOUOFTWOLOHII-UHFFFAOYSA-N 1 2 233.275 1.130 20 0 BDADLO Cc1nc(N2CCC(F)(F)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631286742 372278448 /nfs/dbraw/zinc/27/84/48/372278448.db2.gz CBMUZPDDVJIRKJ-LURJTMIESA-N 1 2 243.261 1.074 20 0 BDADLO Cc1nc(N)nc(N2CCC(F)(F)[C@@H](C)C2)[nH+]1 ZINC000631286742 372278451 /nfs/dbraw/zinc/27/84/51/372278451.db2.gz CBMUZPDDVJIRKJ-LURJTMIESA-N 1 2 243.261 1.074 20 0 BDADLO O=C(CC1CCC1)N1CCn2c[nH+]cc2C1 ZINC000290968369 181893412 /nfs/dbraw/zinc/89/34/12/181893412.db2.gz SPHOPWQDRBDHEI-UHFFFAOYSA-N 1 2 219.288 1.416 20 0 BDADLO Cc1nc(NCC(C)(C)n2cccn2)cc[nH+]1 ZINC000631368157 372318510 /nfs/dbraw/zinc/31/85/10/372318510.db2.gz FGJIQNOPQKMHKF-UHFFFAOYSA-N 1 2 231.303 1.251 20 0 BDADLO Cc1noc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000631431656 372360606 /nfs/dbraw/zinc/36/06/06/372360606.db2.gz WEIRQKORJXCSEE-HTRCEHHLSA-N 1 2 247.258 1.010 20 0 BDADLO CCC(C)(C)CCNc1nc(C)[nH+]c(N)n1 ZINC000631452300 372371079 /nfs/dbraw/zinc/37/10/79/372371079.db2.gz RGFHZRDRGLVTDF-UHFFFAOYSA-N 1 2 223.324 1.253 20 0 BDADLO CCC(C)(C)CCNc1nc(N)nc(C)[nH+]1 ZINC000631452300 372371085 /nfs/dbraw/zinc/37/10/85/372371085.db2.gz RGFHZRDRGLVTDF-UHFFFAOYSA-N 1 2 223.324 1.253 20 0 BDADLO Cc1nc(N2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000631533035 372412942 /nfs/dbraw/zinc/41/29/42/372412942.db2.gz IXBLWPYVYHEDEO-AVGNSLFASA-N 1 2 247.342 1.915 20 0 BDADLO CCn1ncc(C(=O)NCc2[nH]c[nH+]c2C)c1C ZINC000631593328 372445471 /nfs/dbraw/zinc/44/54/71/372445471.db2.gz JQDWSGRZUOPFMQ-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000631594591 372447162 /nfs/dbraw/zinc/44/71/62/372447162.db2.gz MPHHTBOKRRWVFN-UJNFCWOMSA-N 1 2 237.303 1.148 20 0 BDADLO Cc1ccc(NC(=O)c2cc(CO)on2)c(C)[nH+]1 ZINC000631743294 372543731 /nfs/dbraw/zinc/54/37/31/372543731.db2.gz QIGKAAFHDWJEFP-UHFFFAOYSA-N 1 2 247.254 1.431 20 0 BDADLO O=C(CCc1ccoc1)Nc1cc[nH+]cc1O ZINC000358323432 181936777 /nfs/dbraw/zinc/93/67/77/181936777.db2.gz BEZVUTLIGKZQJO-UHFFFAOYSA-N 1 2 232.239 1.373 20 0 BDADLO O=C(CCn1cc[nH+]c1)NCC1(C2CC2)CCC1 ZINC000269836333 181952096 /nfs/dbraw/zinc/95/20/96/181952096.db2.gz ZMDBINAIKZYYNC-UHFFFAOYSA-N 1 2 247.342 1.970 20 0 BDADLO CC[C@@H](C)Cc1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000632249502 372831688 /nfs/dbraw/zinc/83/16/88/372831688.db2.gz OUUAMUNRIIINBA-NXEZZACHSA-N 1 2 239.319 1.661 20 0 BDADLO CC[C@@H](C)Cc1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000632249502 372831696 /nfs/dbraw/zinc/83/16/96/372831696.db2.gz OUUAMUNRIIINBA-NXEZZACHSA-N 1 2 239.319 1.661 20 0 BDADLO O=C(C[C@H]1C=CCCC1)NC1=[NH+]CCS1 ZINC000186450513 182025803 /nfs/dbraw/zinc/02/58/03/182025803.db2.gz XWICUOFNUKIFHX-VIFPVBQESA-N 1 2 224.329 1.952 20 0 BDADLO Cc1nnc(C[N@H+]2CCSC[C@@H]2C)o1 ZINC000172590493 373018206 /nfs/dbraw/zinc/01/82/06/373018206.db2.gz ICFIEPJGWFYMPI-ZETCQYMHSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nnc(C[N@@H+]2CCSC[C@@H]2C)o1 ZINC000172590493 373018215 /nfs/dbraw/zinc/01/82/15/373018215.db2.gz ICFIEPJGWFYMPI-ZETCQYMHSA-N 1 2 213.306 1.315 20 0 BDADLO CCc1nnc(C[N@@H+]2CCSC[C@@H]2C)o1 ZINC000172590268 373019006 /nfs/dbraw/zinc/01/90/06/373019006.db2.gz OCEXLKJSJWLPLC-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CCc1nnc(C[N@H+]2CCSC[C@@H]2C)o1 ZINC000172590268 373019011 /nfs/dbraw/zinc/01/90/11/373019011.db2.gz OCEXLKJSJWLPLC-QMMMGPOBSA-N 1 2 227.333 1.569 20 0 BDADLO CC(C)C1(S(=O)(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000632588614 373022679 /nfs/dbraw/zinc/02/26/79/373022679.db2.gz OSTZJYIVFSUMDS-UHFFFAOYSA-N 1 2 243.332 1.018 20 0 BDADLO CC(C)C1(S(=O)(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000632588614 373022680 /nfs/dbraw/zinc/02/26/80/373022680.db2.gz OSTZJYIVFSUMDS-UHFFFAOYSA-N 1 2 243.332 1.018 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCCCCC1 ZINC000070163091 182070468 /nfs/dbraw/zinc/07/04/68/182070468.db2.gz SRLODCIZTRKINX-UHFFFAOYSA-N 1 2 207.277 1.286 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@@H](C1CC1)C(F)(F)F ZINC000291116050 182071104 /nfs/dbraw/zinc/07/11/04/182071104.db2.gz DZIAACJZRCEDFN-VIFPVBQESA-N 1 2 247.220 1.340 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1cc(F)cc(F)c1 ZINC000010809919 182071145 /nfs/dbraw/zinc/07/11/45/182071145.db2.gz SMZAVNHDHRQRMH-UHFFFAOYSA-N 1 2 237.209 1.800 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CCc3[nH]c[nH+]c3C2)[C@@H](C)O1 ZINC000633133502 373300558 /nfs/dbraw/zinc/30/05/58/373300558.db2.gz XEGCXMBVRJQFLZ-BBBLOLIVSA-N 1 2 249.314 1.108 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)[C@@H](C)O1 ZINC000633133502 373300560 /nfs/dbraw/zinc/30/05/60/373300560.db2.gz XEGCXMBVRJQFLZ-BBBLOLIVSA-N 1 2 249.314 1.108 20 0 BDADLO O=C(NC1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374197855 182096476 /nfs/dbraw/zinc/09/64/76/182096476.db2.gz JSPVRDZMZVXRMN-UHFFFAOYSA-N 1 2 234.303 1.461 20 0 BDADLO O=C(NC1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197855 182096477 /nfs/dbraw/zinc/09/64/77/182096477.db2.gz JSPVRDZMZVXRMN-UHFFFAOYSA-N 1 2 234.303 1.461 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC(F)(F)C1 ZINC000633187967 373333085 /nfs/dbraw/zinc/33/30/85/373333085.db2.gz KLAWNAIFFKJDFY-UHFFFAOYSA-N 1 2 244.245 1.349 20 0 BDADLO O=C(NC1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364277891 182104916 /nfs/dbraw/zinc/10/49/16/182104916.db2.gz AXJCBFHRLNUEEB-VIFPVBQESA-N 1 2 219.288 1.114 20 0 BDADLO O=C(NC1C[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000275315506 182116956 /nfs/dbraw/zinc/11/69/56/182116956.db2.gz SDYAGTNCBPIYMQ-UHFFFAOYSA-N 1 2 244.338 1.787 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC(C)(C)C1 ZINC000633359384 373493360 /nfs/dbraw/zinc/49/33/60/373493360.db2.gz IAGUDNVCQKZSLH-UHFFFAOYSA-N 1 2 236.319 1.740 20 0 BDADLO O=C(NCC1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263944558 182137061 /nfs/dbraw/zinc/13/70/61/182137061.db2.gz IQHYTLDFZRKZKA-NSHDSACASA-N 1 2 248.330 1.709 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCc1ccoc1 ZINC000633351674 373489526 /nfs/dbraw/zinc/48/95/26/373489526.db2.gz GZEGLIVNNIKGBJ-UHFFFAOYSA-N 1 2 248.286 1.387 20 0 BDADLO O=C(NCC1CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336468397 182143320 /nfs/dbraw/zinc/14/33/20/182143320.db2.gz QTNAJSRWORKLAN-SNVBAGLBSA-N 1 2 248.330 1.366 20 0 BDADLO O=C(NCC1CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336468397 182143322 /nfs/dbraw/zinc/14/33/22/182143322.db2.gz QTNAJSRWORKLAN-SNVBAGLBSA-N 1 2 248.330 1.366 20 0 BDADLO Cc1ccc(CNC(=O)N(C)Cc2[nH]cc[nH+]2)o1 ZINC000633496853 373578246 /nfs/dbraw/zinc/57/82/46/373578246.db2.gz QJKDITVXXIESIZ-UHFFFAOYSA-N 1 2 248.286 1.653 20 0 BDADLO CCO[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)C1(C)C ZINC000184695594 205706823 /nfs/dbraw/zinc/70/68/23/205706823.db2.gz CUXMBYPYRGBUKL-RKDXNWHRSA-N 1 2 237.290 1.407 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1nc(C2CC2)c[nH]1 ZINC000633585718 373612822 /nfs/dbraw/zinc/61/28/22/373612822.db2.gz NKJAQWICKWMJNF-UHFFFAOYSA-N 1 2 245.286 1.500 20 0 BDADLO O=C(NCCC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364286452 182154409 /nfs/dbraw/zinc/15/44/09/182154409.db2.gz XWOJTJKMPUBWPS-NSHDSACASA-N 1 2 233.315 1.362 20 0 BDADLO C[C@H](C(=O)NCC(C)(C)F)[NH+]1CCSCC1 ZINC000633723540 373717165 /nfs/dbraw/zinc/71/71/65/373717165.db2.gz QBQBVRCYCULWLE-SECBINFHSA-N 1 2 248.367 1.288 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)NC1CCC1 ZINC000122912235 182178130 /nfs/dbraw/zinc/17/81/30/182178130.db2.gz FJOONROPLYWJAN-UHFFFAOYSA-N 1 2 222.292 1.125 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1 ZINC000043078372 182189309 /nfs/dbraw/zinc/18/93/09/182189309.db2.gz SNQNKOAZMLMDBK-UHFFFAOYSA-N 1 2 241.294 1.924 20 0 BDADLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccccn1)C2 ZINC000143002207 374122454 /nfs/dbraw/zinc/12/24/54/374122454.db2.gz LJIGLOAICXTDAN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO Cc1ncc2c(n1)CC[N@H+](Cc1ccccn1)C2 ZINC000143002207 374122460 /nfs/dbraw/zinc/12/24/60/374122460.db2.gz LJIGLOAICXTDAN-UHFFFAOYSA-N 1 2 240.310 1.738 20 0 BDADLO CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174349172 374184245 /nfs/dbraw/zinc/18/42/45/374184245.db2.gz RVFOMTXIKHBQSP-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174349172 374184249 /nfs/dbraw/zinc/18/42/49/374184249.db2.gz RVFOMTXIKHBQSP-NWDGAFQWSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)NC1CCC1 ZINC000268575045 182264341 /nfs/dbraw/zinc/26/43/41/182264341.db2.gz QZVHYJVDSWVKJN-UHFFFAOYSA-N 1 2 244.298 1.686 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCCC1(F)F ZINC000294483401 182273979 /nfs/dbraw/zinc/27/39/79/182273979.db2.gz DNMCFFNRRFWNSJ-MRVPVSSYSA-N 1 2 243.257 1.851 20 0 BDADLO O=C(NCc1[nH]cc[nH+]1)c1cc2c(s1)CCC2 ZINC000070991398 182274445 /nfs/dbraw/zinc/27/44/45/182274445.db2.gz CYGNIORTDZRZAD-UHFFFAOYSA-N 1 2 247.323 1.890 20 0 BDADLO O=C(NCc1cn2ccccc2[nH+]1)NCC1CC1 ZINC000048016975 182268135 /nfs/dbraw/zinc/26/81/35/182268135.db2.gz JAVKGARRGAQSNB-UHFFFAOYSA-N 1 2 244.298 1.544 20 0 BDADLO O[C@H](CC1CCCC1)C[NH+]1CC(O)(C(F)F)C1 ZINC000424129387 206031576 /nfs/dbraw/zinc/03/15/76/206031576.db2.gz DFPITKMNSVMLGP-SNVBAGLBSA-N 1 2 249.301 1.239 20 0 BDADLO CCc1nc(C)c(C[N@H+](C)Cc2cnccn2)o1 ZINC000428240915 206055748 /nfs/dbraw/zinc/05/57/48/206055748.db2.gz CNYIKOBNKPETKR-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO CCc1nc(C)c(C[N@@H+](C)Cc2cnccn2)o1 ZINC000428240915 206055753 /nfs/dbraw/zinc/05/57/53/206055753.db2.gz CNYIKOBNKPETKR-UHFFFAOYSA-N 1 2 246.314 1.967 20 0 BDADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000363038352 182312792 /nfs/dbraw/zinc/31/27/92/182312792.db2.gz ZAGUENYSHDACFX-SECBINFHSA-N 1 2 219.288 1.183 20 0 BDADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000363038352 182312795 /nfs/dbraw/zinc/31/27/95/182312795.db2.gz ZAGUENYSHDACFX-SECBINFHSA-N 1 2 219.288 1.183 20 0 BDADLO COCCOC1C[NH+](C/C=C/c2ccncc2)C1 ZINC000459461869 206127334 /nfs/dbraw/zinc/12/73/34/206127334.db2.gz KJKOWLONYLEOKK-NSCUHMNNSA-N 1 2 248.326 1.442 20 0 BDADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1=CCCCO1 ZINC000372330475 182342904 /nfs/dbraw/zinc/34/29/04/182342904.db2.gz FYWKQLJRGCDSDV-VIFPVBQESA-N 1 2 247.298 1.078 20 0 BDADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1=CCCCO1 ZINC000372330475 182342905 /nfs/dbraw/zinc/34/29/05/182342905.db2.gz FYWKQLJRGCDSDV-VIFPVBQESA-N 1 2 247.298 1.078 20 0 BDADLO O=C(Nc1cccc(Cl)c1)[C@@H]1COCC[NH2+]1 ZINC000083872037 182367823 /nfs/dbraw/zinc/36/78/23/182367823.db2.gz NCLOMKAEGLLRBJ-JTQLQIEISA-N 1 2 240.690 1.267 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)C1CC1 ZINC000336399311 182374976 /nfs/dbraw/zinc/37/49/76/182374976.db2.gz XDTKTCWLEZNEGP-UHFFFAOYSA-N 1 2 201.229 1.683 20 0 BDADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cnccn1 ZINC000355294824 182385078 /nfs/dbraw/zinc/38/50/78/182385078.db2.gz WWHIJKGOXXPZGQ-UHFFFAOYSA-N 1 2 239.238 1.377 20 0 BDADLO OC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000095078289 183029523 /nfs/dbraw/zinc/02/95/23/183029523.db2.gz MTHSMJNCJCLJQQ-UHFFFAOYSA-N 1 2 227.695 1.087 20 0 BDADLO OC1CN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000336494268 183030903 /nfs/dbraw/zinc/03/09/03/183030903.db2.gz KMJHYAPBUZRYET-UHFFFAOYSA-N 1 2 218.231 1.555 20 0 BDADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cocn1 ZINC000329815886 183026254 /nfs/dbraw/zinc/02/62/54/183026254.db2.gz DQWZSGMHUGSRAX-NXEZZACHSA-N 1 2 221.260 1.225 20 0 BDADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cocn1 ZINC000329815886 183026255 /nfs/dbraw/zinc/02/62/55/183026255.db2.gz DQWZSGMHUGSRAX-NXEZZACHSA-N 1 2 221.260 1.225 20 0 BDADLO OCC1CN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000085486262 183040370 /nfs/dbraw/zinc/04/03/70/183040370.db2.gz JHEBALZTTPBUMR-UHFFFAOYSA-N 1 2 232.205 1.529 20 0 BDADLO OCCCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000361477262 183046010 /nfs/dbraw/zinc/04/60/10/183046010.db2.gz HFJHERVGNVTPFD-LBPRGKRZSA-N 1 2 239.315 1.816 20 0 BDADLO OCCCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000361477262 183046012 /nfs/dbraw/zinc/04/60/12/183046012.db2.gz HFJHERVGNVTPFD-LBPRGKRZSA-N 1 2 239.315 1.816 20 0 BDADLO OCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187029707 183057237 /nfs/dbraw/zinc/05/72/37/183057237.db2.gz IFYJRVKQSNRMCL-VIFPVBQESA-N 1 2 244.385 1.615 20 0 BDADLO OCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187029707 183057239 /nfs/dbraw/zinc/05/72/39/183057239.db2.gz IFYJRVKQSNRMCL-VIFPVBQESA-N 1 2 244.385 1.615 20 0 BDADLO OCCN(CCCn1cc[nH+]c1)c1ccccc1 ZINC000271902452 183065502 /nfs/dbraw/zinc/06/55/02/183065502.db2.gz HBTCNMJNKRCKDX-UHFFFAOYSA-N 1 2 245.326 1.772 20 0 BDADLO OCCN(CC1CC1)c1[nH]c2ccccc2[nH+]1 ZINC000301895925 183065989 /nfs/dbraw/zinc/06/59/89/183065989.db2.gz UFRUNZTUZMCZJQ-UHFFFAOYSA-N 1 2 231.299 1.772 20 0 BDADLO OCC[N@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000357253650 183071754 /nfs/dbraw/zinc/07/17/54/183071754.db2.gz CQAPDLXKJGSWKA-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OCC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000357253650 183071756 /nfs/dbraw/zinc/07/17/56/183071756.db2.gz CQAPDLXKJGSWKA-UHFFFAOYSA-N 1 2 249.270 1.286 20 0 BDADLO OCCO[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000172295429 183088286 /nfs/dbraw/zinc/08/82/86/183088286.db2.gz MGIYCXOKTRTMPO-NSHDSACASA-N 1 2 242.344 1.116 20 0 BDADLO OCCO[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000172295429 183088289 /nfs/dbraw/zinc/08/82/89/183088289.db2.gz MGIYCXOKTRTMPO-NSHDSACASA-N 1 2 242.344 1.116 20 0 BDADLO CCCC[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OC ZINC000135238715 169012116 /nfs/dbraw/zinc/01/21/16/169012116.db2.gz LGZUVUJSRSPDBT-LBPRGKRZSA-N 1 2 238.331 1.847 20 0 BDADLO CCCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C(=O)OC ZINC000309719342 169012649 /nfs/dbraw/zinc/01/26/49/169012649.db2.gz VJFDTGIWCJDJTC-MXWKQRLJSA-N 1 2 231.336 1.731 20 0 BDADLO OC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccsc1 ZINC000336730347 183109846 /nfs/dbraw/zinc/10/98/46/183109846.db2.gz JVUVOKPGDZWNCL-SNVBAGLBSA-N 1 2 223.301 1.294 20 0 BDADLO CCCC[S@](=O)Cc1c[nH+]cn1C ZINC000268192512 169017140 /nfs/dbraw/zinc/01/71/40/169017140.db2.gz WLTJJWOOJZZUHQ-ZDUSSCGKSA-N 1 2 200.307 1.469 20 0 BDADLO OC[C@@]1(F)CCC[N@H+](Cc2ccco2)C1 ZINC000289780046 183133735 /nfs/dbraw/zinc/13/37/35/183133735.db2.gz LDSZXMODPGBCMU-LLVKDONJSA-N 1 2 213.252 1.576 20 0 BDADLO OC[C@@]1(F)CCC[N@@H+](Cc2ccco2)C1 ZINC000289780046 183133739 /nfs/dbraw/zinc/13/37/39/183133739.db2.gz LDSZXMODPGBCMU-LLVKDONJSA-N 1 2 213.252 1.576 20 0 BDADLO OC[C@H](CC(F)F)Nc1cccc[nH+]1 ZINC000336665404 183135615 /nfs/dbraw/zinc/13/56/15/183135615.db2.gz VCZVBSYMIREEQN-ZETCQYMHSA-N 1 2 202.204 1.510 20 0 BDADLO OC[C@@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000284360213 183122553 /nfs/dbraw/zinc/12/25/53/183122553.db2.gz ZFZGXEXIRRFQHS-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO OC[C@@H]1CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000284360213 183122556 /nfs/dbraw/zinc/12/25/56/183122556.db2.gz ZFZGXEXIRRFQHS-MRVPVSSYSA-N 1 2 243.253 1.485 20 0 BDADLO CCCCc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000336709772 169031702 /nfs/dbraw/zinc/03/17/02/169031702.db2.gz PXHDVTUDJGGYEQ-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO CCCCc1noc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1 ZINC000336709772 169031703 /nfs/dbraw/zinc/03/17/03/169031703.db2.gz PXHDVTUDJGGYEQ-ZJUUUORDSA-N 1 2 239.319 1.367 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2cscn2)CCC1(F)F ZINC000361059873 183127505 /nfs/dbraw/zinc/12/75/05/183127505.db2.gz JNDJTEIEPRBZLY-QMMMGPOBSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2cscn2)CCC1(F)F ZINC000361059873 183127506 /nfs/dbraw/zinc/12/75/06/183127506.db2.gz JNDJTEIEPRBZLY-QMMMGPOBSA-N 1 2 248.298 1.593 20 0 BDADLO OC[C@@H]1C[N@H+](Cc2ccon2)CCC1(F)F ZINC000361407231 183128313 /nfs/dbraw/zinc/12/83/13/183128313.db2.gz DJKKOFQBVAZMLX-QMMMGPOBSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@@H]1C[N@@H+](Cc2ccon2)CCC1(F)F ZINC000361407231 183128314 /nfs/dbraw/zinc/12/83/14/183128314.db2.gz DJKKOFQBVAZMLX-QMMMGPOBSA-N 1 2 232.230 1.124 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1C[C@H]1CCSC1 ZINC000373273660 183147390 /nfs/dbraw/zinc/14/73/90/183147390.db2.gz YDQQLKXSFPXAJP-RKDXNWHRSA-N 1 2 237.315 1.441 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1C[C@H]1CCSC1 ZINC000373273660 183147392 /nfs/dbraw/zinc/14/73/92/183147392.db2.gz YDQQLKXSFPXAJP-RKDXNWHRSA-N 1 2 237.315 1.441 20 0 BDADLO OC[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC000268953858 183155030 /nfs/dbraw/zinc/15/50/30/183155030.db2.gz GCWXKJLIPATKSI-CYBMUJFWSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC000268953858 183155031 /nfs/dbraw/zinc/15/50/31/183155031.db2.gz GCWXKJLIPATKSI-CYBMUJFWSA-N 1 2 247.294 1.626 20 0 BDADLO OC[C@]1(F)CCC[N@H+](Cc2ccco2)C1 ZINC000289780048 183158237 /nfs/dbraw/zinc/15/82/37/183158237.db2.gz LDSZXMODPGBCMU-NSHDSACASA-N 1 2 213.252 1.576 20 0 BDADLO OC[C@]1(F)CCC[N@@H+](Cc2ccco2)C1 ZINC000289780048 183158238 /nfs/dbraw/zinc/15/82/38/183158238.db2.gz LDSZXMODPGBCMU-NSHDSACASA-N 1 2 213.252 1.576 20 0 BDADLO O[C@@H](C[NH+]1CCOCC1)c1ccccc1F ZINC000019784981 183177706 /nfs/dbraw/zinc/17/77/06/183177706.db2.gz IGLDNQJACBXBGZ-LBPRGKRZSA-N 1 2 225.263 1.191 20 0 BDADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000123761480 183184596 /nfs/dbraw/zinc/18/45/96/183184596.db2.gz QJKMDNLPSUNXEM-IUCAKERBSA-N 1 2 249.236 1.297 20 0 BDADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1cc[nH]n1)C(F)(F)F ZINC000123761480 183184598 /nfs/dbraw/zinc/18/45/98/183184598.db2.gz QJKMDNLPSUNXEM-IUCAKERBSA-N 1 2 249.236 1.297 20 0 BDADLO CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC000279715952 169052100 /nfs/dbraw/zinc/05/21/00/169052100.db2.gz UAYMJLXWOUETRS-UHFFFAOYSA-N 1 2 209.293 1.221 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)CC1 ZINC000293247797 183193617 /nfs/dbraw/zinc/19/36/17/183193617.db2.gz TUNBYVAOIJJYEF-SECBINFHSA-N 1 2 245.273 1.625 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)CC1 ZINC000293247797 183193618 /nfs/dbraw/zinc/19/36/18/183193618.db2.gz TUNBYVAOIJJYEF-SECBINFHSA-N 1 2 245.273 1.625 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000291499965 183194319 /nfs/dbraw/zinc/19/43/19/183194319.db2.gz VDTKMFLACBGKMA-SECBINFHSA-N 1 2 228.242 1.317 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000291499965 183194320 /nfs/dbraw/zinc/19/43/20/183194320.db2.gz VDTKMFLACBGKMA-SECBINFHSA-N 1 2 228.242 1.317 20 0 BDADLO O[C@H](CCNc1cccc[nH+]1)C(F)(F)F ZINC000308920836 183218836 /nfs/dbraw/zinc/21/88/36/183218836.db2.gz ITYIHCVMWYKHJA-SSDOTTSWSA-N 1 2 220.194 1.807 20 0 BDADLO O[C@H](C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000019784996 183222300 /nfs/dbraw/zinc/22/23/00/183222300.db2.gz LFFMHEMSYIAREM-GFCCVEGCSA-N 1 2 241.718 1.706 20 0 BDADLO CCC[N@H+](CC(=O)OC)Cc1cnn(CC)c1 ZINC000050544042 169101587 /nfs/dbraw/zinc/10/15/87/169101587.db2.gz SLCDMNPUJULZBJ-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO CCC[N@@H+](CC(=O)OC)Cc1cnn(CC)c1 ZINC000050544042 169101589 /nfs/dbraw/zinc/10/15/89/169101589.db2.gz SLCDMNPUJULZBJ-UHFFFAOYSA-N 1 2 239.319 1.288 20 0 BDADLO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000082990932 183231543 /nfs/dbraw/zinc/23/15/43/183231543.db2.gz GPHFGVZYQXJWRZ-KOLCDFICSA-N 1 2 209.293 1.050 20 0 BDADLO O[C@]1(CNc2cc[nH+]c3ccncc23)CCOC1 ZINC000270039918 183252127 /nfs/dbraw/zinc/25/21/27/183252127.db2.gz ZSEPEYRFTUREKC-ZDUSSCGKSA-N 1 2 245.282 1.193 20 0 BDADLO CCCN(CCC)C(=O)Cn1cc[nH+]c1 ZINC000039376051 169141953 /nfs/dbraw/zinc/14/19/53/169141953.db2.gz XRHQYGJVQOBYMF-UHFFFAOYSA-N 1 2 209.293 1.532 20 0 BDADLO Oc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366560863 183289264 /nfs/dbraw/zinc/28/92/64/183289264.db2.gz QRBPXJMOOYHWSG-NEPJUHHUSA-N 1 2 205.257 1.365 20 0 BDADLO Oc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366560863 183289267 /nfs/dbraw/zinc/28/92/67/183289267.db2.gz QRBPXJMOOYHWSG-NEPJUHHUSA-N 1 2 205.257 1.365 20 0 BDADLO c1c[nH]c(C[NH2+]Cc2ccc3cc[nH]c3n2)n1 ZINC000353212797 183325275 /nfs/dbraw/zinc/32/52/75/183325275.db2.gz RXCMNLGEAAMEMR-UHFFFAOYSA-N 1 2 227.271 1.576 20 0 BDADLO CCC[N@@H+]1CCC[C@H]1CNc1nc(C)ns1 ZINC000336777210 169200366 /nfs/dbraw/zinc/20/03/66/169200366.db2.gz HRUVTLUNYALBIH-JTQLQIEISA-N 1 2 240.376 1.555 20 0 BDADLO CCC[N@H+]1CCC[C@H]1CNc1nc(C)ns1 ZINC000336777210 169200368 /nfs/dbraw/zinc/20/03/68/169200368.db2.gz HRUVTLUNYALBIH-JTQLQIEISA-N 1 2 240.376 1.555 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@@H+]2CC2CC2)[nH]1 ZINC000329562042 183308137 /nfs/dbraw/zinc/30/81/37/183308137.db2.gz GJRGNONHQGPXTJ-VIFPVBQESA-N 1 2 222.292 1.447 20 0 BDADLO O=c1[nH]nc([C@@H]2CCCC[N@H+]2CC2CC2)[nH]1 ZINC000329562042 183308139 /nfs/dbraw/zinc/30/81/39/183308139.db2.gz GJRGNONHQGPXTJ-VIFPVBQESA-N 1 2 222.292 1.447 20 0 BDADLO CCCNC(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126119423 169227525 /nfs/dbraw/zinc/22/75/25/169227525.db2.gz SVTAZTBRGRKJPE-VIFPVBQESA-N 1 2 241.360 1.628 20 0 BDADLO c1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccn1 ZINC000367572616 183343937 /nfs/dbraw/zinc/34/39/37/183343937.db2.gz FMWVGFJGYLRKML-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccn1 ZINC000367572616 183343938 /nfs/dbraw/zinc/34/39/38/183343938.db2.gz FMWVGFJGYLRKML-ZIAGYGMSSA-N 1 2 248.326 1.461 20 0 BDADLO c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)no1 ZINC000135541172 183347304 /nfs/dbraw/zinc/34/73/04/183347304.db2.gz NGTANGIEQFMOLV-WDEREUQCSA-N 1 2 240.328 1.381 20 0 BDADLO c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)no1 ZINC000135541172 183347306 /nfs/dbraw/zinc/34/73/06/183347306.db2.gz NGTANGIEQFMOLV-WDEREUQCSA-N 1 2 240.328 1.381 20 0 BDADLO c1cn(-c2cccc(OCC3OCCO3)c2)c[nH+]1 ZINC000191991632 183358667 /nfs/dbraw/zinc/35/86/67/183358667.db2.gz PLILHBBQQFYDRT-UHFFFAOYSA-N 1 2 246.266 1.624 20 0 BDADLO CCCNC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000179144420 169219673 /nfs/dbraw/zinc/21/96/73/169219673.db2.gz PQGSUYKKWXQEOS-NSHDSACASA-N 1 2 235.331 1.601 20 0 BDADLO CCCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000179144420 169219675 /nfs/dbraw/zinc/21/96/75/169219675.db2.gz PQGSUYKKWXQEOS-NSHDSACASA-N 1 2 235.331 1.601 20 0 BDADLO CCCNC(=O)C[N@H+](CCC)Cc1ccno1 ZINC000264675633 169220580 /nfs/dbraw/zinc/22/05/80/169220580.db2.gz AMPUFSCOMASUBC-UHFFFAOYSA-N 1 2 239.319 1.413 20 0 BDADLO CCCNC(=O)C[N@@H+](CCC)Cc1ccno1 ZINC000264675633 169220583 /nfs/dbraw/zinc/22/05/83/169220583.db2.gz AMPUFSCOMASUBC-UHFFFAOYSA-N 1 2 239.319 1.413 20 0 BDADLO c1cc(N[C@H]2CCO[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000340567925 183335503 /nfs/dbraw/zinc/33/55/03/183335503.db2.gz CUKLQVXOBGLTOT-WCQYABFASA-N 1 2 245.326 1.755 20 0 BDADLO CCCNC(=O)[C@@H](C)Nc1cc(CC)[nH+]cn1 ZINC000049217945 169242845 /nfs/dbraw/zinc/24/28/45/169242845.db2.gz DESWGGJOPWZNEA-SECBINFHSA-N 1 2 236.319 1.366 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111277109 169246771 /nfs/dbraw/zinc/24/67/71/169246771.db2.gz RISHDICJBJSIQF-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111277109 169246773 /nfs/dbraw/zinc/24/67/73/169246773.db2.gz RISHDICJBJSIQF-SDDRHHMPSA-N 1 2 242.363 1.400 20 0 BDADLO c1cc(OCc2noc(C3CC3)n2)cc[nH+]1 ZINC000276485710 183361192 /nfs/dbraw/zinc/36/11/92/183361192.db2.gz STSZTMXTTAXGJU-UHFFFAOYSA-N 1 2 217.228 1.921 20 0 BDADLO CCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000083746892 169290495 /nfs/dbraw/zinc/29/04/95/169290495.db2.gz FDAHCTIFNZBRPE-VIFPVBQESA-N 1 2 222.317 1.955 20 0 BDADLO c1cn(Cc2nc3cccnc3s2)c[nH+]1 ZINC000341582839 183488172 /nfs/dbraw/zinc/48/81/72/183488172.db2.gz IVOAWYWPEWHSNQ-UHFFFAOYSA-N 1 2 216.269 1.936 20 0 BDADLO CCC[C@@H](CC)NC(=O)NCc1[nH+]ccn1C ZINC000264201946 169377662 /nfs/dbraw/zinc/37/76/62/169377662.db2.gz QINCVGLLZNURBP-SNVBAGLBSA-N 1 2 238.335 1.798 20 0 BDADLO CS[C@@H](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000179320223 134320350 /nfs/dbraw/zinc/32/03/50/134320350.db2.gz ZYZZWOWEFLAEQO-QMMMGPOBSA-N 1 2 227.333 1.210 20 0 BDADLO CC[C@@H](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000164497654 535467007 /nfs/dbraw/zinc/46/70/07/535467007.db2.gz IHBJLQZKHCWQDO-SECBINFHSA-N 1 2 209.293 1.804 20 0 BDADLO C[C@@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000647208187 383825106 /nfs/dbraw/zinc/82/51/06/383825106.db2.gz FIUYLEBBGVLFES-APPZFPTMSA-N 1 2 223.276 1.214 20 0 BDADLO C[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@H]1CCCOC1 ZINC000348150687 383910744 /nfs/dbraw/zinc/91/07/44/383910744.db2.gz ZJSZSJIEJSWEEV-MNOVXSKESA-N 1 2 243.347 1.733 20 0 BDADLO Cc1nc(C[N@@H+]2CCNC(=O)CC2)sc1C ZINC000088595394 383916637 /nfs/dbraw/zinc/91/66/37/383916637.db2.gz MNGSSVWETNWXQP-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO Cc1nc(C[N@H+]2CCNC(=O)CC2)sc1C ZINC000088595394 383916642 /nfs/dbraw/zinc/91/66/42/383916642.db2.gz MNGSSVWETNWXQP-UHFFFAOYSA-N 1 2 239.344 1.082 20 0 BDADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493056914 533018059 /nfs/dbraw/zinc/01/80/59/533018059.db2.gz UMOVBNVUHZWHKB-VUHVRTRXSA-N 1 2 221.304 1.974 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc2c(c1)C(=O)NC2 ZINC000125818956 383918394 /nfs/dbraw/zinc/91/83/94/383918394.db2.gz ZQEOIQRQBWOCHU-UHFFFAOYSA-N 1 2 242.282 1.276 20 0 BDADLO Cn1cccc1C[N@H+](C1CC1)C1COC1 ZINC000449348613 383926650 /nfs/dbraw/zinc/92/66/50/383926650.db2.gz CXLYVFFXCCGOEK-UHFFFAOYSA-N 1 2 206.289 1.388 20 0 BDADLO Cn1cccc1C[N@@H+](C1CC1)C1COC1 ZINC000449348613 383926660 /nfs/dbraw/zinc/92/66/60/383926660.db2.gz CXLYVFFXCCGOEK-UHFFFAOYSA-N 1 2 206.289 1.388 20 0 BDADLO C[C@@H]([NH2+][C@@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000085494464 383883967 /nfs/dbraw/zinc/88/39/67/383883967.db2.gz KAQARGPZPUTKTE-NXEZZACHSA-N 1 2 229.320 1.485 20 0 BDADLO C[C@H](C(=O)N1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000336441105 383886423 /nfs/dbraw/zinc/88/64/23/383886423.db2.gz CWZSJASAMZTFIM-VXGBXAGGSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1[nH]cc[nH+]1 ZINC000140495345 383903057 /nfs/dbraw/zinc/90/30/57/383903057.db2.gz DDSDMQZKPLSLIK-UTLUCORTSA-N 1 2 237.303 1.402 20 0 BDADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1nncn1C ZINC000037508683 383983823 /nfs/dbraw/zinc/98/38/23/383983823.db2.gz IAWXDLVRLKQGSV-ZETCQYMHSA-N 1 2 240.694 1.912 20 0 BDADLO Cc1cnc(NCc2[nH+]ccn2C)nc1 ZINC000070853755 383956302 /nfs/dbraw/zinc/95/63/02/383956302.db2.gz RFQHIYWTCXKPLB-UHFFFAOYSA-N 1 2 203.249 1.131 20 0 BDADLO c1csc([C@@H]([NH2+]C2CC2)c2nnc[nH]2)c1 ZINC000293855459 383960634 /nfs/dbraw/zinc/96/06/34/383960634.db2.gz UJIFAGFWFUNMAI-SECBINFHSA-N 1 2 220.301 1.708 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC2(CCCC2)C1 ZINC000336470465 383964308 /nfs/dbraw/zinc/96/43/08/383964308.db2.gz BOKKMWZSHBYVCF-UHFFFAOYSA-N 1 2 235.331 1.565 20 0 BDADLO C[NH+](C)c1ccc(N[C@@H]2CCOC2)cc1 ZINC000070965696 383972161 /nfs/dbraw/zinc/97/21/61/383972161.db2.gz SEXHAVZUOILFLX-LLVKDONJSA-N 1 2 206.289 1.953 20 0 BDADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccn1 ZINC000049714645 384023904 /nfs/dbraw/zinc/02/39/04/384023904.db2.gz KKNXUBHVIVHZCU-SECBINFHSA-N 1 2 202.261 1.656 20 0 BDADLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1O ZINC000336510459 384031660 /nfs/dbraw/zinc/03/16/60/384031660.db2.gz HLUXBKBMSBGTLX-UHFFFAOYSA-N 1 2 245.282 1.364 20 0 BDADLO CN(C[C@@H]1CCCO1)c1nc[nH+]c(N)c1Cl ZINC000234270040 384032480 /nfs/dbraw/zinc/03/24/80/384032480.db2.gz OKJMQQTWAXKERP-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO CN(C[C@@H]1CCCO1)c1[nH+]cnc(N)c1Cl ZINC000234270040 384032485 /nfs/dbraw/zinc/03/24/85/384032485.db2.gz OKJMQQTWAXKERP-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccn(C)c1 ZINC000091007739 384088994 /nfs/dbraw/zinc/08/89/94/384088994.db2.gz RBAKMPDKTMUEAC-GFCCVEGCSA-N 1 2 238.331 1.702 20 0 BDADLO C[C@H]1[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1(F)F ZINC000336536259 384090486 /nfs/dbraw/zinc/09/04/86/384090486.db2.gz CTDSLKAOMRAMAD-CBAPKCEASA-N 1 2 241.241 1.127 20 0 BDADLO Cc1n[nH]c(C(F)F)c1NC(=O)C[NH2+]C1CC1 ZINC000569455731 384063381 /nfs/dbraw/zinc/06/33/81/384063381.db2.gz OXEVWKKRJIXAFU-UHFFFAOYSA-N 1 2 244.245 1.346 20 0 BDADLO Cn1nccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000091076393 384098751 /nfs/dbraw/zinc/09/87/51/384098751.db2.gz IIGBPYYMTORELP-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1nccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000091076393 384098757 /nfs/dbraw/zinc/09/87/57/384098757.db2.gz IIGBPYYMTORELP-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO CCc1nnc(C[N@H+](C[C@H](C)O)C(C)C)s1 ZINC000680051788 487528609 /nfs/dbraw/zinc/52/86/09/487528609.db2.gz BSRRBJOOUYNBGI-VIFPVBQESA-N 1 2 243.376 1.692 20 0 BDADLO CCc1nnc(C[N@@H+](C[C@H](C)O)C(C)C)s1 ZINC000680051788 487528615 /nfs/dbraw/zinc/52/86/15/487528615.db2.gz BSRRBJOOUYNBGI-VIFPVBQESA-N 1 2 243.376 1.692 20 0 BDADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnn(C)c1 ZINC000070976058 384145636 /nfs/dbraw/zinc/14/56/36/384145636.db2.gz SUXDCZILIZXVHY-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000070976058 384145639 /nfs/dbraw/zinc/14/56/39/384145639.db2.gz SUXDCZILIZXVHY-NSHDSACASA-N 1 2 230.315 1.798 20 0 BDADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnn(C)c1 ZINC000070976057 384145676 /nfs/dbraw/zinc/14/56/76/384145676.db2.gz SUXDCZILIZXVHY-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000070976057 384145679 /nfs/dbraw/zinc/14/56/79/384145679.db2.gz SUXDCZILIZXVHY-LLVKDONJSA-N 1 2 230.315 1.798 20 0 BDADLO CC(=O)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000116932091 384159045 /nfs/dbraw/zinc/15/90/45/384159045.db2.gz PPOHOLCDLRJLND-UHFFFAOYSA-N 1 2 219.288 1.036 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000449393218 384163091 /nfs/dbraw/zinc/16/30/91/384163091.db2.gz LSDLDZJPAPYSIA-QMMMGPOBSA-N 1 2 227.235 1.610 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000449393218 384163095 /nfs/dbraw/zinc/16/30/95/384163095.db2.gz LSDLDZJPAPYSIA-QMMMGPOBSA-N 1 2 227.235 1.610 20 0 BDADLO C[C@@H](CC1CC1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370391465 384184975 /nfs/dbraw/zinc/18/49/75/384184975.db2.gz QYPVFKRPVPDHMX-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092617129 384185207 /nfs/dbraw/zinc/18/52/07/384185207.db2.gz ALMDGTFSXQDVGZ-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccccc1 ZINC000092617129 384185210 /nfs/dbraw/zinc/18/52/10/384185210.db2.gz ALMDGTFSXQDVGZ-UHFFFAOYSA-N 1 2 218.260 1.142 20 0 BDADLO CC[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)[C@H](C)O ZINC000642913871 384179062 /nfs/dbraw/zinc/17/90/62/384179062.db2.gz BAPKLWMAWPQJTG-GXSJLCMTSA-N 1 2 247.298 1.680 20 0 BDADLO CO[C@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000471825630 533044204 /nfs/dbraw/zinc/04/42/04/533044204.db2.gz KEHPJPUMDSZSIN-NSHDSACASA-N 1 2 222.288 1.421 20 0 BDADLO CC(C)n1ccnc1C[N@@H+]1CCCOCC1 ZINC000334699868 384206615 /nfs/dbraw/zinc/20/66/15/384206615.db2.gz YQWFTUIWPAGLND-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO CC(C)n1ccnc1C[N@H+]1CCCOCC1 ZINC000334699868 384206619 /nfs/dbraw/zinc/20/66/19/384206619.db2.gz YQWFTUIWPAGLND-UHFFFAOYSA-N 1 2 223.320 1.686 20 0 BDADLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)o1 ZINC000093054738 384207257 /nfs/dbraw/zinc/20/72/57/384207257.db2.gz XAXUUVHXEOEBOF-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)o1 ZINC000093054738 384207260 /nfs/dbraw/zinc/20/72/60/384207260.db2.gz XAXUUVHXEOEBOF-GFCCVEGCSA-N 1 2 236.315 1.544 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000092643952 384188209 /nfs/dbraw/zinc/18/82/09/384188209.db2.gz WXWGRWJAUIYNGQ-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000092643952 384188213 /nfs/dbraw/zinc/18/82/13/384188213.db2.gz WXWGRWJAUIYNGQ-JTQLQIEISA-N 1 2 237.303 1.103 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093055322 384207501 /nfs/dbraw/zinc/20/75/01/384207501.db2.gz PWFRUVRQZIYEDC-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO Cc1ccoc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000093055322 384207505 /nfs/dbraw/zinc/20/75/05/384207505.db2.gz PWFRUVRQZIYEDC-LBPRGKRZSA-N 1 2 236.315 1.544 20 0 BDADLO CCCCOCC(=O)N(C)Cc1[nH+]ccn1C ZINC000118330019 384198021 /nfs/dbraw/zinc/19/80/21/384198021.db2.gz PYYRTAFWEDMUJM-UHFFFAOYSA-N 1 2 239.319 1.195 20 0 BDADLO Cc1nocc1CNc1cc[nH+]c(C2CC2)n1 ZINC000631440554 384235133 /nfs/dbraw/zinc/23/51/33/384235133.db2.gz RMDWAPZPJISYLI-UHFFFAOYSA-N 1 2 230.271 1.684 20 0 BDADLO Cc1nc(NCC[S@](=O)C(C)(C)C)cc[nH+]1 ZINC000078265769 384237074 /nfs/dbraw/zinc/23/70/74/384237074.db2.gz ZANCOYLJUSVAON-MRXNPFEDSA-N 1 2 241.360 1.744 20 0 BDADLO Cc1ccc(CSc2nnnn2C)c(C)[nH+]1 ZINC000187328875 384211870 /nfs/dbraw/zinc/21/18/70/384211870.db2.gz WWSCMVPWWMHVQN-UHFFFAOYSA-N 1 2 235.316 1.514 20 0 BDADLO Cc1csc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000082303449 384222248 /nfs/dbraw/zinc/22/22/48/384222248.db2.gz QHPYTURMTVJDTH-UHFFFAOYSA-N 1 2 224.329 1.444 20 0 BDADLO CCc1ccc(C[N@@H+]2CCO[C@H](COC)C2)o1 ZINC000093528695 384248035 /nfs/dbraw/zinc/24/80/35/384248035.db2.gz ZTMMILCOMAFHBE-ZDUSSCGKSA-N 1 2 239.315 1.689 20 0 BDADLO CCc1ccc(C[N@H+]2CCO[C@H](COC)C2)o1 ZINC000093528695 384248043 /nfs/dbraw/zinc/24/80/43/384248043.db2.gz ZTMMILCOMAFHBE-ZDUSSCGKSA-N 1 2 239.315 1.689 20 0 BDADLO CC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000082707672 384256729 /nfs/dbraw/zinc/25/67/29/384256729.db2.gz PZGGJUFIEKPSBB-UHFFFAOYSA-N 1 2 207.277 1.606 20 0 BDADLO Cc1noc(C[N@@H+]2CCc3ccsc3C2)n1 ZINC000132878199 384260094 /nfs/dbraw/zinc/26/00/94/384260094.db2.gz ZBRGBAPHUGQLAN-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1noc(C[N@H+]2CCc3ccsc3C2)n1 ZINC000132878199 384260100 /nfs/dbraw/zinc/26/01/00/384260100.db2.gz ZBRGBAPHUGQLAN-UHFFFAOYSA-N 1 2 235.312 1.998 20 0 BDADLO Cc1nc(NC[C@H]2CCC[C@H]2C)nc(N)[nH+]1 ZINC000304402856 384276892 /nfs/dbraw/zinc/27/68/92/384276892.db2.gz BABPMWVLAPWFMS-VXNVDRBHSA-N 1 2 221.308 1.610 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CCC[C@H]2C)[nH+]1 ZINC000304402856 384276896 /nfs/dbraw/zinc/27/68/96/384276896.db2.gz BABPMWVLAPWFMS-VXNVDRBHSA-N 1 2 221.308 1.610 20 0 BDADLO CCc1ccnc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000560698525 384304495 /nfs/dbraw/zinc/30/44/95/384304495.db2.gz PAOGAELQEKATSU-SECBINFHSA-N 1 2 244.298 1.858 20 0 BDADLO CC[N@H+](Cc1cc(C(=O)OC)co1)C1COC1 ZINC000449422826 384316552 /nfs/dbraw/zinc/31/65/52/384316552.db2.gz FXKRPDSSRWSJSC-UHFFFAOYSA-N 1 2 239.271 1.287 20 0 BDADLO CC[N@@H+](Cc1cc(C(=O)OC)co1)C1COC1 ZINC000449422826 384316557 /nfs/dbraw/zinc/31/65/57/384316557.db2.gz FXKRPDSSRWSJSC-UHFFFAOYSA-N 1 2 239.271 1.287 20 0 BDADLO Cc1nsc(NCCCn2cc[nH+]c2)n1 ZINC000083647954 384317052 /nfs/dbraw/zinc/31/70/52/384317052.db2.gz WEPLEKSBVAEXMM-UHFFFAOYSA-N 1 2 223.305 1.545 20 0 BDADLO CC[C@H](COC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119502427 384279857 /nfs/dbraw/zinc/27/98/57/384279857.db2.gz UWZLMFXEFLIXLM-SNVBAGLBSA-N 1 2 237.303 1.937 20 0 BDADLO CN(c1cc(NCC2CC2)[nH+]cn1)[C@@H]1CCOC1 ZINC000119546911 384282780 /nfs/dbraw/zinc/28/27/80/384282780.db2.gz FUMXXJUUTPNTKX-LLVKDONJSA-N 1 2 248.330 1.524 20 0 BDADLO CN(c1cc(NCC2CC2)nc[nH+]1)[C@@H]1CCOC1 ZINC000119546911 384282783 /nfs/dbraw/zinc/28/27/83/384282783.db2.gz FUMXXJUUTPNTKX-LLVKDONJSA-N 1 2 248.330 1.524 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1csnn1)c1ccco1 ZINC000133342906 384284989 /nfs/dbraw/zinc/28/49/89/384284989.db2.gz BQSHAELJJCMDGI-SNVBAGLBSA-N 1 2 239.300 1.128 20 0 BDADLO CC[C@@H](NC(=O)c1oc(C)nc1C)c1[nH]cc[nH+]1 ZINC000140467844 384286524 /nfs/dbraw/zinc/28/65/24/384286524.db2.gz CNYYQVOACIVZOZ-SECBINFHSA-N 1 2 248.286 1.896 20 0 BDADLO Cc1nc(C)n(Cc2[nH+]ccn2C(F)F)n1 ZINC000120318031 384346547 /nfs/dbraw/zinc/34/65/47/384346547.db2.gz DKGITRNUDDORCR-UHFFFAOYSA-N 1 2 227.218 1.535 20 0 BDADLO CCc1nnc(C[N@@H+]2CCS[C@H](CC)C2)o1 ZINC000076072415 384356712 /nfs/dbraw/zinc/35/67/12/384356712.db2.gz FPCKWEBXUZYNMM-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CCc1nnc(C[N@H+]2CCS[C@H](CC)C2)o1 ZINC000076072415 384356720 /nfs/dbraw/zinc/35/67/20/384356720.db2.gz FPCKWEBXUZYNMM-SECBINFHSA-N 1 2 241.360 1.959 20 0 BDADLO CC(=O)CSCC[N@H+]1CCOC[C@@H]1C ZINC000560806862 384360885 /nfs/dbraw/zinc/36/08/85/384360885.db2.gz KRIAXIBEWYCINJ-VIFPVBQESA-N 1 2 217.334 1.029 20 0 BDADLO CC(=O)CSCC[N@@H+]1CCOC[C@@H]1C ZINC000560806862 384360894 /nfs/dbraw/zinc/36/08/94/384360894.db2.gz KRIAXIBEWYCINJ-VIFPVBQESA-N 1 2 217.334 1.029 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000084081549 384361995 /nfs/dbraw/zinc/36/19/95/384361995.db2.gz JDBHFUZXMNRJHK-UHFFFAOYSA-N 1 2 201.229 1.340 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000084081549 384362010 /nfs/dbraw/zinc/36/20/10/384362010.db2.gz JDBHFUZXMNRJHK-UHFFFAOYSA-N 1 2 201.229 1.340 20 0 BDADLO CC(C)c1nc(C[N@@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000332673320 384328958 /nfs/dbraw/zinc/32/89/58/384328958.db2.gz IOSZCMQMXKUYCT-DTWKUNHWSA-N 1 2 225.292 1.148 20 0 BDADLO CC(C)c1nc(C[N@H+]2C[C@H](O)C[C@@H]2C)no1 ZINC000332673320 384328961 /nfs/dbraw/zinc/32/89/61/384328961.db2.gz IOSZCMQMXKUYCT-DTWKUNHWSA-N 1 2 225.292 1.148 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C)c1ccco1 ZINC000035142519 384400772 /nfs/dbraw/zinc/40/07/72/384400772.db2.gz FDXTUWKLTUCPFO-VIFPVBQESA-N 1 2 205.261 1.864 20 0 BDADLO COc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000095830459 384400940 /nfs/dbraw/zinc/40/09/40/384400940.db2.gz ZORCBEYHICEHHO-UHFFFAOYSA-N 1 2 243.310 1.908 20 0 BDADLO CCCc1nc(C[N@@H+]2CCC[C@@H](O)CC2)no1 ZINC000331625493 384401385 /nfs/dbraw/zinc/40/13/85/384401385.db2.gz KPXLWWRYIDZAHV-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1nc(C[N@H+]2CCC[C@@H](O)CC2)no1 ZINC000331625493 384401391 /nfs/dbraw/zinc/40/13/91/384401391.db2.gz KPXLWWRYIDZAHV-SNVBAGLBSA-N 1 2 239.319 1.369 20 0 BDADLO CC1(C)CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000077509779 384409888 /nfs/dbraw/zinc/40/98/88/384409888.db2.gz MVBSQPZHPGXUIL-UHFFFAOYSA-N 1 2 236.319 1.467 20 0 BDADLO c1c[nH+]c(COCCC[C@@H]2CCOC2)[nH]1 ZINC000647119352 384423610 /nfs/dbraw/zinc/42/36/10/384423610.db2.gz OUFKFUZDXUJPJI-SNVBAGLBSA-N 1 2 210.277 1.743 20 0 BDADLO CC[C@@H](C[N@@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000642704393 384377362 /nfs/dbraw/zinc/37/73/62/384377362.db2.gz TVVSKEKKQIECFC-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO CC[C@@H](C[N@H+]1C[C@H](O)CC(F)(F)C1)OC ZINC000642704393 384377367 /nfs/dbraw/zinc/37/73/67/384377367.db2.gz TVVSKEKKQIECFC-BDAKNGLRSA-N 1 2 223.263 1.113 20 0 BDADLO COC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC000122053212 384453618 /nfs/dbraw/zinc/45/36/18/384453618.db2.gz LGGKEWMGEQWCDE-NSHDSACASA-N 1 2 221.300 1.955 20 0 BDADLO Cn1c[nH+]cc1CNc1cnn(CC(F)F)c1 ZINC000121692176 384432710 /nfs/dbraw/zinc/43/27/10/384432710.db2.gz BFHKDDIWIYSPIC-UHFFFAOYSA-N 1 2 241.245 1.494 20 0 BDADLO COC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000078200462 384433635 /nfs/dbraw/zinc/43/36/35/384433635.db2.gz KNLMNIUUGKBEDX-UHFFFAOYSA-N 1 2 202.213 1.863 20 0 BDADLO Cc1[nH]c(C(=O)NCc2ccccc2CO)c[nH+]1 ZINC000521381223 384435577 /nfs/dbraw/zinc/43/55/77/384435577.db2.gz XYVXBTNUZVIVOK-UHFFFAOYSA-N 1 2 245.282 1.140 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000568164359 384440874 /nfs/dbraw/zinc/44/08/74/384440874.db2.gz QOJQKJWJNDVWCH-WDEREUQCSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000568164359 384440880 /nfs/dbraw/zinc/44/08/80/384440880.db2.gz QOJQKJWJNDVWCH-WDEREUQCSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000568164358 384442046 /nfs/dbraw/zinc/44/20/46/384442046.db2.gz QOJQKJWJNDVWCH-QWRGUYRKSA-N 1 2 231.299 1.562 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000568164358 384442050 /nfs/dbraw/zinc/44/20/50/384442050.db2.gz QOJQKJWJNDVWCH-QWRGUYRKSA-N 1 2 231.299 1.562 20 0 BDADLO Cn1ccnc1C[NH2+]Cc1ccc(F)cn1 ZINC000309532413 384467059 /nfs/dbraw/zinc/46/70/59/384467059.db2.gz DHNGFUKNHOURKW-UHFFFAOYSA-N 1 2 220.251 1.244 20 0 BDADLO C[C@H]([NH2+]Cc1ccsc1)c1nncn1C ZINC000037016824 384470597 /nfs/dbraw/zinc/47/05/97/384470597.db2.gz COHRIBZLPBPLSN-QMMMGPOBSA-N 1 2 222.317 1.727 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ccccn2)C1 ZINC000561076458 384479303 /nfs/dbraw/zinc/47/93/03/384479303.db2.gz NCTLJRJPOGCTQY-UHFFFAOYSA-N 1 2 219.288 1.362 20 0 BDADLO CCN(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000136052821 384479985 /nfs/dbraw/zinc/47/99/85/384479985.db2.gz VMHSKBLWNKLBHK-SNVBAGLBSA-N 1 2 224.308 1.323 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CC23CC3)c[nH+]1 ZINC000335034923 384502802 /nfs/dbraw/zinc/50/28/02/384502802.db2.gz PXFHUTIWRJVNGB-QMMMGPOBSA-N 1 2 203.245 1.233 20 0 BDADLO CC(=O)CCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000172714464 384512552 /nfs/dbraw/zinc/51/25/52/384512552.db2.gz QWOASHSNDFWJHW-UHFFFAOYSA-N 1 2 235.287 1.455 20 0 BDADLO c1cc(CNc2cc(NC3CC3)[nH+]cn2)n[nH]1 ZINC000556842306 384522328 /nfs/dbraw/zinc/52/23/28/384522328.db2.gz QYKKDNSENIIRAP-UHFFFAOYSA-N 1 2 230.275 1.386 20 0 BDADLO c1cc(CNc2cc(NC3CC3)nc[nH+]2)n[nH]1 ZINC000556842306 384522335 /nfs/dbraw/zinc/52/23/35/384522335.db2.gz QYKKDNSENIIRAP-UHFFFAOYSA-N 1 2 230.275 1.386 20 0 BDADLO CCN(CC(C)(C)O)c1cc[nH+]c(C)n1 ZINC000085485933 384528426 /nfs/dbraw/zinc/52/84/26/384528426.db2.gz NORZODKSPZJUDO-UHFFFAOYSA-N 1 2 209.293 1.382 20 0 BDADLO Cc1nc(N2CCOC[C@H]2C2CC2)cc[nH+]1 ZINC000183957427 384541889 /nfs/dbraw/zinc/54/18/89/384541889.db2.gz APZRZQKAFHOECR-NSHDSACASA-N 1 2 219.288 1.400 20 0 BDADLO O=C1NCC[N@@H+](CCCF)[C@H]1c1ccccc1 ZINC000137561020 384540545 /nfs/dbraw/zinc/54/05/45/384540545.db2.gz TULRCAFMYQNAHO-LBPRGKRZSA-N 1 2 236.290 1.519 20 0 BDADLO O=C1NCC[N@H+](CCCF)[C@H]1c1ccccc1 ZINC000137561020 384540552 /nfs/dbraw/zinc/54/05/52/384540552.db2.gz TULRCAFMYQNAHO-LBPRGKRZSA-N 1 2 236.290 1.519 20 0 BDADLO COC[C@@H](NCc1[nH]cc[nH+]1)c1ccco1 ZINC000080239315 384540861 /nfs/dbraw/zinc/54/08/61/384540861.db2.gz AOZZJDYQKUTWNW-SECBINFHSA-N 1 2 221.260 1.480 20 0 BDADLO c1nnc2n1CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000293003553 384568982 /nfs/dbraw/zinc/56/89/82/384568982.db2.gz GXTFMJGLMKMZBV-LBPRGKRZSA-N 1 2 232.331 1.983 20 0 BDADLO c1nnc2n1CC[N@H+]([C@H]1C=CCCCCC1)C2 ZINC000293003553 384568989 /nfs/dbraw/zinc/56/89/89/384568989.db2.gz GXTFMJGLMKMZBV-LBPRGKRZSA-N 1 2 232.331 1.983 20 0 BDADLO Cc1nc(N[C@H]2CCN(C(C)(C)C)C2=O)cc[nH+]1 ZINC000517929315 384578098 /nfs/dbraw/zinc/57/80/98/384578098.db2.gz NYYNQUGFIKKLRL-JTQLQIEISA-N 1 2 248.330 1.596 20 0 BDADLO Cc1nc2[nH]ccc2c(NC[C@H]2CC23CC3)[nH+]1 ZINC000561227537 384579798 /nfs/dbraw/zinc/57/97/98/384579798.db2.gz CUYYKLVFJQSNBA-SECBINFHSA-N 1 2 228.299 1.900 20 0 BDADLO Cc1noc(C)c1COCc1[nH]cc[nH+]1 ZINC000123782801 384581450 /nfs/dbraw/zinc/58/14/50/384581450.db2.gz CTQINAZJNHFMOX-UHFFFAOYSA-N 1 2 207.233 1.731 20 0 BDADLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1OC ZINC000050049243 384585561 /nfs/dbraw/zinc/58/55/61/384585561.db2.gz OWOMWAUVOLKFLM-LBPRGKRZSA-N 1 2 249.310 1.833 20 0 BDADLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1OC ZINC000050049243 384585568 /nfs/dbraw/zinc/58/55/68/384585568.db2.gz OWOMWAUVOLKFLM-LBPRGKRZSA-N 1 2 249.310 1.833 20 0 BDADLO c1cnn(C2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000363572184 384615261 /nfs/dbraw/zinc/61/52/61/384615261.db2.gz BCWSCTAUQPLGRE-UHFFFAOYSA-N 1 2 231.303 1.443 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC(C)(C)C1 ZINC000172787724 384626950 /nfs/dbraw/zinc/62/69/50/384626950.db2.gz JXXAIUMRBVEGMQ-UHFFFAOYSA-N 1 2 231.303 1.600 20 0 BDADLO c1ncc(CC[N@@H+]2CCOCC23CC3)s1 ZINC000334639242 384628634 /nfs/dbraw/zinc/62/86/34/384628634.db2.gz ZDCSDWJTENWLCO-UHFFFAOYSA-N 1 2 224.329 1.550 20 0 BDADLO c1ncc(CC[N@H+]2CCOCC23CC3)s1 ZINC000334639242 384628637 /nfs/dbraw/zinc/62/86/37/384628637.db2.gz ZDCSDWJTENWLCO-UHFFFAOYSA-N 1 2 224.329 1.550 20 0 BDADLO CCCOc1ccc(N2C(=O)C[C@@H]([NH3+])C2=O)cc1 ZINC000516660212 384635279 /nfs/dbraw/zinc/63/52/79/384635279.db2.gz QVBKKLPHGVZZEZ-LLVKDONJSA-N 1 2 248.282 1.066 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccccc1 ZINC000255476371 384635573 /nfs/dbraw/zinc/63/55/73/384635573.db2.gz HEUZXAORNVEWFT-JECSTDCCSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccccc1 ZINC000255476371 384635579 /nfs/dbraw/zinc/63/55/79/384635579.db2.gz HEUZXAORNVEWFT-JECSTDCCSA-N 1 2 230.311 1.520 20 0 BDADLO Cc1cnc(C[NH2+][C@H](C)c2cn[nH]c2)nc1 ZINC000309817456 384637122 /nfs/dbraw/zinc/63/71/22/384637122.db2.gz VPHUPVVYMVNROZ-SECBINFHSA-N 1 2 217.276 1.359 20 0 BDADLO CSCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173031767 384647570 /nfs/dbraw/zinc/64/75/70/384647570.db2.gz OYNZMYALIUEOIR-UHFFFAOYSA-N 1 2 241.360 1.518 20 0 BDADLO C[C@]1(O)CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000124532736 384648290 /nfs/dbraw/zinc/64/82/90/384648290.db2.gz CWYURIMEIVVWPB-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO C[C@]1(O)CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000124532736 384648295 /nfs/dbraw/zinc/64/82/95/384648295.db2.gz CWYURIMEIVVWPB-NSHDSACASA-N 1 2 245.273 1.625 20 0 BDADLO O=C(Nc1cc[nH+]cc1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000408040063 384660355 /nfs/dbraw/zinc/66/03/55/384660355.db2.gz CDTZGVMKUAJGIO-GDGBQDQQSA-N 1 2 232.283 1.584 20 0 BDADLO c1cncc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185154767 384684135 /nfs/dbraw/zinc/68/41/35/384684135.db2.gz QYFGHPZQHRJXEU-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO c1cncc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185154767 384684141 /nfs/dbraw/zinc/68/41/41/384684141.db2.gz QYFGHPZQHRJXEU-ZDUSSCGKSA-N 1 2 234.299 1.073 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362574323 384688916 /nfs/dbraw/zinc/68/89/16/384688916.db2.gz CXIGEMFSGZMCOZ-RYUDHWBXSA-N 1 2 239.315 1.049 20 0 BDADLO COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362574323 384688922 /nfs/dbraw/zinc/68/89/22/384688922.db2.gz CXIGEMFSGZMCOZ-RYUDHWBXSA-N 1 2 239.315 1.049 20 0 BDADLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1cccnc1 ZINC000185278931 384698205 /nfs/dbraw/zinc/69/82/05/384698205.db2.gz BYRGEZAWMUNPOT-SECBINFHSA-N 1 2 247.302 1.381 20 0 BDADLO O=C(c1cc[nH]n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000071796502 384705247 /nfs/dbraw/zinc/70/52/47/384705247.db2.gz QEIJYAPDPKVZIS-SNVBAGLBSA-N 1 2 245.286 1.084 20 0 BDADLO O=C(c1ccn[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000071796502 384705257 /nfs/dbraw/zinc/70/52/57/384705257.db2.gz QEIJYAPDPKVZIS-SNVBAGLBSA-N 1 2 245.286 1.084 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)o1 ZINC000173740778 384714514 /nfs/dbraw/zinc/71/45/14/384714514.db2.gz BWTQYDCRWUUJHI-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)o1 ZINC000173740778 384714521 /nfs/dbraw/zinc/71/45/21/384714521.db2.gz BWTQYDCRWUUJHI-LLVKDONJSA-N 1 2 249.314 1.226 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC000082791947 384719888 /nfs/dbraw/zinc/71/98/88/384719888.db2.gz MEAQHQHRBVXTFE-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CCc2cccc(C)c2C1 ZINC000082791947 384719894 /nfs/dbraw/zinc/71/98/94/384719894.db2.gz MEAQHQHRBVXTFE-LLVKDONJSA-N 1 2 233.311 1.915 20 0 BDADLO CCC(O)(CC)CNc1cc[nH+]c(C)n1 ZINC000083466679 384773085 /nfs/dbraw/zinc/77/30/85/384773085.db2.gz DWSPUEKVYYHMQO-UHFFFAOYSA-N 1 2 209.293 1.748 20 0 BDADLO CC(C)[C@H](C)CC(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000363627893 384728340 /nfs/dbraw/zinc/72/83/40/384728340.db2.gz PZGRPFNSOSLTMS-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO c1ccc2sc([C@H]3COCC[NH2+]3)nc2c1 ZINC000083016962 384736756 /nfs/dbraw/zinc/73/67/56/384736756.db2.gz HTRYLKRMWMMOGW-SECBINFHSA-N 1 2 220.297 1.957 20 0 BDADLO CC(C)(C)c1nc(=N[C@H]2CC[C@@H](C[NH3+])C2)[nH]o1 ZINC000518144061 384736835 /nfs/dbraw/zinc/73/68/35/384736835.db2.gz LHABSKYGHOSMCA-BDAKNGLRSA-N 1 2 238.335 1.328 20 0 BDADLO CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000620077254 384739836 /nfs/dbraw/zinc/73/98/36/384739836.db2.gz CVNFPHULFSRSJF-QMTHXVAHSA-N 1 2 247.342 1.750 20 0 BDADLO COc1ccc[nH+]c1NCc1conc1C ZINC000382162183 384747118 /nfs/dbraw/zinc/74/71/18/384747118.db2.gz SYZGQHWYMZYAPO-UHFFFAOYSA-N 1 2 219.244 1.999 20 0 BDADLO CCOc1cccc(C[NH+]2CCOCC2)c1 ZINC000144166996 384751894 /nfs/dbraw/zinc/75/18/94/384751894.db2.gz JGBBUXPZJOYRQP-UHFFFAOYSA-N 1 2 221.300 1.918 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)C1=CCCCC1 ZINC000125895561 384756408 /nfs/dbraw/zinc/75/64/08/384756408.db2.gz GFQIYCWLXYHIEG-UHFFFAOYSA-N 1 2 233.315 1.879 20 0 BDADLO CCOC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000176743123 384758999 /nfs/dbraw/zinc/75/89/99/384758999.db2.gz IHAPJXWZQBNSAI-LBPRGKRZSA-N 1 2 243.347 1.687 20 0 BDADLO C[C@@H](O)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000526044957 384765069 /nfs/dbraw/zinc/76/50/69/384765069.db2.gz SGWHIESTJSMFLD-MRVPVSSYSA-N 1 2 231.255 1.396 20 0 BDADLO COC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042211445 384771583 /nfs/dbraw/zinc/77/15/83/384771583.db2.gz RFPJZCKGUTYATB-UHFFFAOYSA-N 1 2 227.691 1.945 20 0 BDADLO COC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042211445 384771589 /nfs/dbraw/zinc/77/15/89/384771589.db2.gz RFPJZCKGUTYATB-UHFFFAOYSA-N 1 2 227.691 1.945 20 0 BDADLO COC[C@@H]([NH2+]C1(C(F)F)CC1)C1CC1 ZINC000308578315 384819392 /nfs/dbraw/zinc/81/93/92/384819392.db2.gz FIWXRGCQFDAATA-MRVPVSSYSA-N 1 2 205.248 1.799 20 0 BDADLO COc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccn1 ZINC000363770938 384821788 /nfs/dbraw/zinc/82/17/88/384821788.db2.gz CPNZKRIOVRRLQT-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO COc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccn1 ZINC000363770938 384821797 /nfs/dbraw/zinc/82/17/97/384821797.db2.gz CPNZKRIOVRRLQT-ZDUSSCGKSA-N 1 2 248.326 1.701 20 0 BDADLO CC[C@](C)([NH2+]CC[C@H](C)F)C(=O)OC ZINC000308586960 384824865 /nfs/dbraw/zinc/82/48/65/384824865.db2.gz ISMOTEWZKMEZIZ-WPRPVWTQSA-N 1 2 205.273 1.666 20 0 BDADLO CCC[C@@H]([NH2+]Cc1ncn(C)n1)c1cccnc1 ZINC000186213976 384827739 /nfs/dbraw/zinc/82/77/39/384827739.db2.gz OVCNYLXYVNNHLC-GFCCVEGCSA-N 1 2 245.330 1.841 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccccn1 ZINC000186325896 384835276 /nfs/dbraw/zinc/83/52/76/384835276.db2.gz SROFAANIDGPMMR-ZDUSSCGKSA-N 1 2 234.299 1.609 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccccn1 ZINC000186325896 384835284 /nfs/dbraw/zinc/83/52/84/384835284.db2.gz SROFAANIDGPMMR-ZDUSSCGKSA-N 1 2 234.299 1.609 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC1(F)F ZINC000644263116 384784964 /nfs/dbraw/zinc/78/49/64/384784964.db2.gz JSFSZSMUOXRTGD-VIFPVBQESA-N 1 2 243.257 1.565 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCC1(F)F ZINC000644263116 384784970 /nfs/dbraw/zinc/78/49/70/384784970.db2.gz JSFSZSMUOXRTGD-VIFPVBQESA-N 1 2 243.257 1.565 20 0 BDADLO CC(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC000077271150 384801349 /nfs/dbraw/zinc/80/13/49/384801349.db2.gz UCQPRMZAGLSWLM-UHFFFAOYSA-N 1 2 237.303 1.117 20 0 BDADLO CCC[C@@](C)([NH2+]C[C@@H](O)C(C)C)C(=O)OC ZINC000310038206 384806171 /nfs/dbraw/zinc/80/61/71/384806171.db2.gz VWGDXRNMAXGASH-ZYHUDNBSSA-N 1 2 231.336 1.325 20 0 BDADLO CC[N@H+](CCOC)CC(=O)c1cccn1C ZINC000042493878 384810009 /nfs/dbraw/zinc/81/00/09/384810009.db2.gz XBQQIXMKZSXYTE-UHFFFAOYSA-N 1 2 224.304 1.176 20 0 BDADLO CC[N@@H+](CCOC)CC(=O)c1cccn1C ZINC000042493878 384810013 /nfs/dbraw/zinc/81/00/13/384810013.db2.gz XBQQIXMKZSXYTE-UHFFFAOYSA-N 1 2 224.304 1.176 20 0 BDADLO CN(C)c1noc(C[NH+]2C3CCC2CC3)n1 ZINC000518267613 384871891 /nfs/dbraw/zinc/87/18/91/384871891.db2.gz NNARUWJWZPZRCE-UHFFFAOYSA-N 1 2 222.292 1.262 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C)C[C@@H](C)O ZINC000175263199 384886177 /nfs/dbraw/zinc/88/61/77/384886177.db2.gz IGLPCLOIJSNQHP-SNVBAGLBSA-N 1 2 211.309 1.277 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C)C[C@@H](C)O ZINC000175263199 384886186 /nfs/dbraw/zinc/88/61/86/384886186.db2.gz IGLPCLOIJSNQHP-SNVBAGLBSA-N 1 2 211.309 1.277 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@@H+]1C/C=C/Cl ZINC000186370960 384839363 /nfs/dbraw/zinc/83/93/63/384839363.db2.gz ZAZBYDDDZYVOJC-RWCYGVJQSA-N 1 2 217.696 1.766 20 0 BDADLO COC(=O)[C@]1(C)CCC[N@H+]1C/C=C/Cl ZINC000186370960 384839367 /nfs/dbraw/zinc/83/93/67/384839367.db2.gz ZAZBYDDDZYVOJC-RWCYGVJQSA-N 1 2 217.696 1.766 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000449660086 384840762 /nfs/dbraw/zinc/84/07/62/384840762.db2.gz DZPXDQJJJLKTHS-DTWKUNHWSA-N 1 2 217.334 1.422 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)Nc1ncccc1F ZINC000054700797 384849310 /nfs/dbraw/zinc/84/93/10/384849310.db2.gz MKAHSBRUCDUABI-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO Cc1ccc(C[NH2+]Cc2cc[nH]n2)nc1 ZINC000087782469 384850999 /nfs/dbraw/zinc/85/09/99/384850999.db2.gz VBTHPBRVKFMYOB-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403705882 384855077 /nfs/dbraw/zinc/85/50/77/384855077.db2.gz DNVXXEABJRAGIY-AEJSXWLSSA-N 1 2 219.288 1.462 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403705882 384855087 /nfs/dbraw/zinc/85/50/87/384855087.db2.gz DNVXXEABJRAGIY-AEJSXWLSSA-N 1 2 219.288 1.462 20 0 BDADLO CCCN(C(=O)[C@H]1COCC[N@@H+]1C)C(C)(C)C ZINC000644389588 384860186 /nfs/dbraw/zinc/86/01/86/384860186.db2.gz NIMSOVHKLYYQQC-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO CCCN(C(=O)[C@H]1COCC[N@H+]1C)C(C)(C)C ZINC000644389588 384860189 /nfs/dbraw/zinc/86/01/89/384860189.db2.gz NIMSOVHKLYYQQC-LLVKDONJSA-N 1 2 242.363 1.354 20 0 BDADLO O=[S@]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309498179 384893414 /nfs/dbraw/zinc/89/34/14/384893414.db2.gz KUCBQHYXOBQEAP-FVMDXXJSSA-N 1 2 237.328 1.287 20 0 BDADLO CCC(=O)C1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000448931809 384895967 /nfs/dbraw/zinc/89/59/67/384895967.db2.gz FGKRSLHJSKZCRR-UHFFFAOYSA-N 1 2 232.283 1.510 20 0 BDADLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)co1 ZINC000186968081 384897368 /nfs/dbraw/zinc/89/73/68/384897368.db2.gz NBRJWWXBOKFDBO-UHFFFAOYSA-N 1 2 233.271 1.605 20 0 BDADLO C[C@@H](NCC[NH+]1CCC1)c1cc2n(n1)CCCC2 ZINC000647294413 384900157 /nfs/dbraw/zinc/90/01/57/384900157.db2.gz BFVZDFQCMNTRDO-GFCCVEGCSA-N 1 2 248.374 1.576 20 0 BDADLO C[C@H](NCC[NH+]1CCC1)c1cc2n(n1)CCCC2 ZINC000647294414 384901761 /nfs/dbraw/zinc/90/17/61/384901761.db2.gz BFVZDFQCMNTRDO-LBPRGKRZSA-N 1 2 248.374 1.576 20 0 BDADLO C[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301650526 384903576 /nfs/dbraw/zinc/90/35/76/384903576.db2.gz GGEPCHSVMVWFBV-QMMMGPOBSA-N 1 2 209.293 1.567 20 0 BDADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CO1 ZINC000566162441 384914141 /nfs/dbraw/zinc/91/41/41/384914141.db2.gz UGEXBQAVUDQENH-PSASIEDQSA-N 1 2 219.288 1.365 20 0 BDADLO CN(C)C(=O)O[C@H]1CCC[N@H+](CCF)C1 ZINC000497259416 384915995 /nfs/dbraw/zinc/91/59/95/384915995.db2.gz HFJBMHALLAULHA-VIFPVBQESA-N 1 2 218.272 1.119 20 0 BDADLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CCF)C1 ZINC000497259416 384916003 /nfs/dbraw/zinc/91/60/03/384916003.db2.gz HFJBMHALLAULHA-VIFPVBQESA-N 1 2 218.272 1.119 20 0 BDADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cscn1 ZINC000127829626 384917853 /nfs/dbraw/zinc/91/78/53/384917853.db2.gz ONZFXFHOXIWDJW-VDTYLAMSSA-N 1 2 240.250 1.717 20 0 BDADLO CC[C@H]1C[N@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000312952716 384926873 /nfs/dbraw/zinc/92/68/73/384926873.db2.gz FPPHVDPFLFNGGE-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@H]1C[N@@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000312952716 384926886 /nfs/dbraw/zinc/92/68/86/384926886.db2.gz FPPHVDPFLFNGGE-NSHDSACASA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@@H]1C[N@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000312952715 384927329 /nfs/dbraw/zinc/92/73/29/384927329.db2.gz FPPHVDPFLFNGGE-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CC[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)CCCO1 ZINC000312952715 384927337 /nfs/dbraw/zinc/92/73/37/384927337.db2.gz FPPHVDPFLFNGGE-LLVKDONJSA-N 1 2 243.347 1.829 20 0 BDADLO CCc1cc(N)nc(S[C@H]2CCOC2=O)[nH+]1 ZINC000279135950 384934482 /nfs/dbraw/zinc/93/44/82/384934482.db2.gz XEQCUXRWTYKLNB-ZETCQYMHSA-N 1 2 239.300 1.029 20 0 BDADLO CC[C@@H](C)[N@H+](CCO)Cc1ncnn1C(C)C ZINC000310292894 384944125 /nfs/dbraw/zinc/94/41/25/384944125.db2.gz ODGVJFLEPQXODA-LLVKDONJSA-N 1 2 240.351 1.452 20 0 BDADLO CC[C@@H](C)[N@@H+](CCO)Cc1ncnn1C(C)C ZINC000310292894 384944129 /nfs/dbraw/zinc/94/41/29/384944129.db2.gz ODGVJFLEPQXODA-LLVKDONJSA-N 1 2 240.351 1.452 20 0 BDADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)n1 ZINC000557448740 384947570 /nfs/dbraw/zinc/94/75/70/384947570.db2.gz LGDHVIUMVQESHY-NSHDSACASA-N 1 2 233.315 1.669 20 0 BDADLO O=C(CNc1cccc[nH+]1)NCC1CC1 ZINC000302077595 384964689 /nfs/dbraw/zinc/96/46/89/384964689.db2.gz WTPMZCZQISWRNT-UHFFFAOYSA-N 1 2 205.261 1.020 20 0 BDADLO C[N@H+](Cc1ccns1)Cc1cccnc1N ZINC000404378559 384973890 /nfs/dbraw/zinc/97/38/90/384973890.db2.gz ZEZLINYNUGEASA-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO C[N@@H+](Cc1ccns1)Cc1cccnc1N ZINC000404378559 384973896 /nfs/dbraw/zinc/97/38/96/384973896.db2.gz ZEZLINYNUGEASA-UHFFFAOYSA-N 1 2 234.328 1.752 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000261326512 384975425 /nfs/dbraw/zinc/97/54/25/384975425.db2.gz QBWPIXJZYQTBHP-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000261326512 384975438 /nfs/dbraw/zinc/97/54/38/384975438.db2.gz QBWPIXJZYQTBHP-MWLCHTKSSA-N 1 2 217.284 1.762 20 0 BDADLO Cc1ncc(C[NH2+]Cc2ccns2)o1 ZINC000404453587 384998965 /nfs/dbraw/zinc/99/89/65/384998965.db2.gz SVZDHWAVNBPQGA-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO COC(=O)C[N@H+](C)CCN(C)c1ccccc1 ZINC000107792060 385000438 /nfs/dbraw/zinc/00/04/38/385000438.db2.gz MSRRNEFBRBNFNL-UHFFFAOYSA-N 1 2 236.315 1.228 20 0 BDADLO COC(=O)C[N@@H+](C)CCN(C)c1ccccc1 ZINC000107792060 385000444 /nfs/dbraw/zinc/00/04/44/385000444.db2.gz MSRRNEFBRBNFNL-UHFFFAOYSA-N 1 2 236.315 1.228 20 0 BDADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000647242612 385001264 /nfs/dbraw/zinc/00/12/64/385001264.db2.gz CDOJTDOOBPJPMR-CHWSQXEVSA-N 1 2 247.298 1.066 20 0 BDADLO CC(C)[C@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000302887930 385013725 /nfs/dbraw/zinc/01/37/25/385013725.db2.gz MHKIZJPUVSLXJV-SNVBAGLBSA-N 1 2 244.726 1.531 20 0 BDADLO CC(C)[C@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000302887930 385013730 /nfs/dbraw/zinc/01/37/30/385013730.db2.gz MHKIZJPUVSLXJV-SNVBAGLBSA-N 1 2 244.726 1.531 20 0 BDADLO COC(=O)[C@H]1CC[N@H+](Cc2cc[nH]n2)C[C@@H]1C ZINC000188107125 385014620 /nfs/dbraw/zinc/01/46/20/385014620.db2.gz QDUAPSUWVJQSJM-ONGXEEELSA-N 1 2 237.303 1.041 20 0 BDADLO COC(=O)[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1C ZINC000188107125 385014631 /nfs/dbraw/zinc/01/46/31/385014631.db2.gz QDUAPSUWVJQSJM-ONGXEEELSA-N 1 2 237.303 1.041 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCO1 ZINC000107293504 384963425 /nfs/dbraw/zinc/96/34/25/384963425.db2.gz AAGIZJUJDQPGDO-JTQLQIEISA-N 1 2 206.245 1.508 20 0 BDADLO CC1(C)C[NH+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000518394521 385049725 /nfs/dbraw/zinc/04/97/25/385049725.db2.gz UUDSNBNKSWEGQX-UHFFFAOYSA-N 1 2 234.299 1.673 20 0 BDADLO C[C@@H](O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000188732549 385083749 /nfs/dbraw/zinc/08/37/49/385083749.db2.gz OZHYIXPYVGWITB-LLVKDONJSA-N 1 2 240.372 1.247 20 0 BDADLO Cn1nccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000334150134 385053394 /nfs/dbraw/zinc/05/33/94/385053394.db2.gz IMNYIKJUOIKRJQ-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1nccc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000334150134 385053395 /nfs/dbraw/zinc/05/33/95/385053395.db2.gz IMNYIKJUOIKRJQ-ZIAGYGMSSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1nccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000334150132 385054308 /nfs/dbraw/zinc/05/43/08/385054308.db2.gz IMNYIKJUOIKRJQ-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO Cn1nccc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000334150132 385054313 /nfs/dbraw/zinc/05/43/13/385054313.db2.gz IMNYIKJUOIKRJQ-KGLIPLIRSA-N 1 2 247.342 1.564 20 0 BDADLO O=C(CCc1ccoc1)NCCCn1cc[nH+]c1 ZINC000177554443 385055893 /nfs/dbraw/zinc/05/58/93/385055893.db2.gz NRJZEPBXHHTYCW-UHFFFAOYSA-N 1 2 247.298 1.615 20 0 BDADLO Cc1c[nH+]c(C)nc1N1Cc2cncnc2C1 ZINC000518396844 385057997 /nfs/dbraw/zinc/05/79/97/385057997.db2.gz LNHZKLJFKSKNJO-UHFFFAOYSA-N 1 2 227.271 1.404 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000177604456 385063714 /nfs/dbraw/zinc/06/37/14/385063714.db2.gz UIRZXAYKNOLERL-NWDGAFQWSA-N 1 2 233.315 1.436 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CC1(CO)CC1 ZINC000188569309 385066779 /nfs/dbraw/zinc/06/67/79/385066779.db2.gz UQXRHTHKKWAYFM-UHFFFAOYSA-N 1 2 249.314 1.626 20 0 BDADLO CCC1(O)CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000188550739 385068446 /nfs/dbraw/zinc/06/84/46/385068446.db2.gz ZHCRFIXTACSWRB-UHFFFAOYSA-N 1 2 233.315 1.624 20 0 BDADLO CS[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000128824997 385073308 /nfs/dbraw/zinc/07/33/08/385073308.db2.gz PQODLXCYAKNWHJ-ZETCQYMHSA-N 1 2 237.332 1.527 20 0 BDADLO Cn1ncc(Cl)c1C[NH2+]Cc1ccco1 ZINC000130214466 385026198 /nfs/dbraw/zinc/02/61/98/385026198.db2.gz ZFCOJZNJNQEWFO-UHFFFAOYSA-N 1 2 225.679 1.956 20 0 BDADLO C=C/C(C)=C/CC(=O)N1CCn2c[nH+]cc2C1 ZINC000644619284 385027663 /nfs/dbraw/zinc/02/76/63/385027663.db2.gz UVAALPPWJHDNLP-NYYWCZLTSA-N 1 2 231.299 1.748 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C1(OC)CC1 ZINC000648263662 385030778 /nfs/dbraw/zinc/03/07/78/385030778.db2.gz IUZABSHGZSJNBQ-UHFFFAOYSA-N 1 2 222.244 1.208 20 0 BDADLO COC(=O)[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000060385043 385083005 /nfs/dbraw/zinc/08/30/05/385083005.db2.gz BUDVIDQFEUFALE-MRVPVSSYSA-N 1 2 236.296 1.988 20 0 BDADLO Cc1cc(NCCC(=O)NC(C)C)nc[nH+]1 ZINC000157139373 385083313 /nfs/dbraw/zinc/08/33/13/385083313.db2.gz NFPFWTBYEKFNNC-UHFFFAOYSA-N 1 2 222.292 1.112 20 0 BDADLO COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176189764 385037118 /nfs/dbraw/zinc/03/71/18/385037118.db2.gz JXCNAFODARZFMA-UWVGGRQHSA-N 1 2 248.282 1.446 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](O)C1 ZINC000287543611 385108312 /nfs/dbraw/zinc/10/83/12/385108312.db2.gz OLLNUTZLTUDOIY-JTQLQIEISA-N 1 2 235.287 1.297 20 0 BDADLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)co1 ZINC000188949986 385108909 /nfs/dbraw/zinc/10/89/09/385108909.db2.gz SDZZIMZOEHDSFV-UHFFFAOYSA-N 1 2 234.299 1.508 20 0 BDADLO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccn[nH]2)c1 ZINC000189030280 385113498 /nfs/dbraw/zinc/11/34/98/385113498.db2.gz FJWHOLHHGWGTAX-AWEZNQCLSA-N 1 2 245.326 1.411 20 0 BDADLO Cc1ccc(F)cc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000129170326 385116139 /nfs/dbraw/zinc/11/61/39/385116139.db2.gz DKFJDMKRJRCOPW-ZDUSSCGKSA-N 1 2 239.290 1.327 20 0 BDADLO Cc1ccc(F)cc1C[N@H+]1CCO[C@H](CO)C1 ZINC000129170326 385116144 /nfs/dbraw/zinc/11/61/44/385116144.db2.gz DKFJDMKRJRCOPW-ZDUSSCGKSA-N 1 2 239.290 1.327 20 0 BDADLO CCc1ccccc1C[N@@H+]1CCN(C)C(=O)C1 ZINC000189031678 385118496 /nfs/dbraw/zinc/11/84/96/385118496.db2.gz HMMZDVPRFOGZHC-UHFFFAOYSA-N 1 2 232.327 1.523 20 0 BDADLO CCc1ccccc1C[N@H+]1CCN(C)C(=O)C1 ZINC000189031678 385118511 /nfs/dbraw/zinc/11/85/11/385118511.db2.gz HMMZDVPRFOGZHC-UHFFFAOYSA-N 1 2 232.327 1.523 20 0 BDADLO Nc1[nH+]cnc(N[C@H]2CCCOC2)c1Cl ZINC000236393825 385119730 /nfs/dbraw/zinc/11/97/30/385119730.db2.gz XGTOGDHRCNHONY-LURJTMIESA-N 1 2 228.683 1.303 20 0 BDADLO Nc1nc[nH+]c(N[C@H]2CCCOC2)c1Cl ZINC000236393825 385119737 /nfs/dbraw/zinc/11/97/37/385119737.db2.gz XGTOGDHRCNHONY-LURJTMIESA-N 1 2 228.683 1.303 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000088619511 385129750 /nfs/dbraw/zinc/12/97/50/385129750.db2.gz VIMWABCYGPACJJ-LLVKDONJSA-N 1 2 238.335 1.063 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000088619511 385129752 /nfs/dbraw/zinc/12/97/52/385129752.db2.gz VIMWABCYGPACJJ-LLVKDONJSA-N 1 2 238.335 1.063 20 0 BDADLO CCn1cc[nH+]c1/C=C/C(=O)N1[C@H](C)C[C@H]1C ZINC000491966072 385133483 /nfs/dbraw/zinc/13/34/83/385133483.db2.gz UODCOGBPGMCFBQ-XIJCSBCJSA-N 1 2 233.315 1.926 20 0 BDADLO C[C@@H](O)CCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000176676422 385134107 /nfs/dbraw/zinc/13/41/07/385134107.db2.gz WPJNJUXRRIVSAL-SNVBAGLBSA-N 1 2 247.298 1.177 20 0 BDADLO CC[C@@H](C)C[S@@](=O)Cc1[nH+]ccn1C ZINC000129334909 385139534 /nfs/dbraw/zinc/13/95/34/385139534.db2.gz FZLKANNJJBWIBK-OTYXRUKQSA-N 1 2 214.334 1.715 20 0 BDADLO Nc1ccc(NC(=O)CC[C@@H]2CCCO2)c[nH+]1 ZINC000087236822 385085711 /nfs/dbraw/zinc/08/57/11/385085711.db2.gz XSXAJFHZEQYICA-JTQLQIEISA-N 1 2 235.287 1.562 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC=CCC2)[nH]1 ZINC000644682199 385095548 /nfs/dbraw/zinc/09/55/48/385095548.db2.gz OOWDLFNYRIZJPQ-UHFFFAOYSA-N 1 2 206.293 1.690 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC=CCC2)[nH]1 ZINC000644682199 385095553 /nfs/dbraw/zinc/09/55/53/385095553.db2.gz OOWDLFNYRIZJPQ-UHFFFAOYSA-N 1 2 206.293 1.690 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccn1C ZINC000188918847 385104753 /nfs/dbraw/zinc/10/47/53/385104753.db2.gz GCMVHFIHYPMNMO-CYBMUJFWSA-N 1 2 249.358 1.372 20 0 BDADLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccn1C ZINC000188918847 385104760 /nfs/dbraw/zinc/10/47/60/385104760.db2.gz GCMVHFIHYPMNMO-CYBMUJFWSA-N 1 2 249.358 1.372 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)Cc1cccnc1 ZINC000129781927 385186604 /nfs/dbraw/zinc/18/66/04/385186604.db2.gz ISFPOVGEWYQVSK-UHFFFAOYSA-N 1 2 202.261 1.437 20 0 BDADLO Cc1cncc(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000189891197 385196180 /nfs/dbraw/zinc/19/61/80/385196180.db2.gz YHJXICZQMBOWST-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO Cc1cncc(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000189891197 385196183 /nfs/dbraw/zinc/19/61/83/385196183.db2.gz YHJXICZQMBOWST-UHFFFAOYSA-N 1 2 233.315 1.100 20 0 BDADLO CCc1nnc(C[N@H+](C)C(C)(C)COC)s1 ZINC000644782890 385146590 /nfs/dbraw/zinc/14/65/90/385146590.db2.gz XVSRKNMJXPWSIE-UHFFFAOYSA-N 1 2 243.376 1.957 20 0 BDADLO CCc1nnc(C[N@@H+](C)C(C)(C)COC)s1 ZINC000644782890 385146596 /nfs/dbraw/zinc/14/65/96/385146596.db2.gz XVSRKNMJXPWSIE-UHFFFAOYSA-N 1 2 243.376 1.957 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062052455 385151710 /nfs/dbraw/zinc/15/17/10/385151710.db2.gz ROOGCVIYHYZNBF-VHSXEESVSA-N 1 2 239.290 1.908 20 0 BDADLO COc1cc(C[NH2+]Cc2ncc[nH]2)ccn1 ZINC000062058223 385155734 /nfs/dbraw/zinc/15/57/34/385155734.db2.gz XGIPZRTUQITIDE-UHFFFAOYSA-N 1 2 218.260 1.103 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177979937 385157953 /nfs/dbraw/zinc/15/79/53/385157953.db2.gz OPUYADQWEBXREB-SNVBAGLBSA-N 1 2 229.711 1.030 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000177979937 385157956 /nfs/dbraw/zinc/15/79/56/385157956.db2.gz OPUYADQWEBXREB-SNVBAGLBSA-N 1 2 229.711 1.030 20 0 BDADLO C[C@H]1C[C@@H](CO)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000288710835 385169967 /nfs/dbraw/zinc/16/99/67/385169967.db2.gz CLCVYVYDHYLBAX-QWRGUYRKSA-N 1 2 247.342 1.951 20 0 BDADLO CCCCc1nc(C[N@@H+]2CC[C@H](CO)C2)no1 ZINC000157412820 385170973 /nfs/dbraw/zinc/17/09/73/385170973.db2.gz VSHUCGYDPLBBLN-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO CCCCc1nc(C[N@H+]2CC[C@H](CO)C2)no1 ZINC000157412820 385170977 /nfs/dbraw/zinc/17/09/77/385170977.db2.gz VSHUCGYDPLBBLN-JTQLQIEISA-N 1 2 239.319 1.226 20 0 BDADLO COC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000113508122 385177623 /nfs/dbraw/zinc/17/76/23/385177623.db2.gz DFCDAQZWPCZOTK-UHFFFAOYSA-N 1 2 209.236 1.525 20 0 BDADLO COC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000113508122 385177629 /nfs/dbraw/zinc/17/76/29/385177629.db2.gz DFCDAQZWPCZOTK-UHFFFAOYSA-N 1 2 209.236 1.525 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccco1 ZINC000190035744 385206396 /nfs/dbraw/zinc/20/63/96/385206396.db2.gz FVEOYWSASXMAJX-GFCCVEGCSA-N 1 2 221.256 1.561 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccco1 ZINC000190035744 385206399 /nfs/dbraw/zinc/20/63/99/385206399.db2.gz FVEOYWSASXMAJX-GFCCVEGCSA-N 1 2 221.256 1.561 20 0 BDADLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cncs1 ZINC000190040050 385206945 /nfs/dbraw/zinc/20/69/45/385206945.db2.gz GHUKHSMWDBEOMD-LLVKDONJSA-N 1 2 238.312 1.425 20 0 BDADLO O=C1OCC[C@]12CCC[N@H+]2Cc1cncs1 ZINC000190040050 385206949 /nfs/dbraw/zinc/20/69/49/385206949.db2.gz GHUKHSMWDBEOMD-LLVKDONJSA-N 1 2 238.312 1.425 20 0 BDADLO CC(C)=CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152750917 385207405 /nfs/dbraw/zinc/20/74/05/385207405.db2.gz ISTANKDZRIUBCI-LBPRGKRZSA-N 1 2 245.326 1.743 20 0 BDADLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)o1 ZINC000190041438 385207553 /nfs/dbraw/zinc/20/75/53/385207553.db2.gz MLTHKPUYFOFEPN-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)o1 ZINC000190041438 385207560 /nfs/dbraw/zinc/20/75/60/385207560.db2.gz MLTHKPUYFOFEPN-ZDUSSCGKSA-N 1 2 235.283 1.870 20 0 BDADLO NC(=O)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110113689 385212143 /nfs/dbraw/zinc/21/21/43/385212143.db2.gz SCBZVEBFIXKNSV-JTQLQIEISA-N 1 2 246.314 1.056 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)/C=C\C1CCC1 ZINC000492057918 385212346 /nfs/dbraw/zinc/21/23/46/385212346.db2.gz NNLXWRINPNFVKT-WAYWQWQTSA-N 1 2 219.288 1.691 20 0 BDADLO CO[C@@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000190173037 385215246 /nfs/dbraw/zinc/21/52/46/385215246.db2.gz XIBFUIBKHCVCTQ-VIFPVBQESA-N 1 2 223.276 1.546 20 0 BDADLO CNC(=O)c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000559929328 385230902 /nfs/dbraw/zinc/23/09/02/385230902.db2.gz VHQOITWYDBYCOR-UHFFFAOYSA-N 1 2 230.271 1.381 20 0 BDADLO CN(CCn1cccn1)c1cccc[nH+]1 ZINC000110599061 385249318 /nfs/dbraw/zinc/24/93/18/385249318.db2.gz YEDZUMNGYGGJCB-UHFFFAOYSA-N 1 2 202.261 1.415 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130492345 385254315 /nfs/dbraw/zinc/25/43/15/385254315.db2.gz YRGPURKMPOMUDL-UWVGGRQHSA-N 1 2 237.299 1.474 20 0 BDADLO Cc1cc(CN(C)Cc2cc[nH+]c(N)c2)no1 ZINC000191434402 385302528 /nfs/dbraw/zinc/30/25/28/385302528.db2.gz GDXFBEBPNHZSQB-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO Cn1cc[nH+]c1CSC[C@H]1CCCO1 ZINC000191757793 385324331 /nfs/dbraw/zinc/32/43/31/385324331.db2.gz LAAVMMHRFQKJIS-SECBINFHSA-N 1 2 212.318 1.832 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(F)n1 ZINC000131147917 385314638 /nfs/dbraw/zinc/31/46/38/385314638.db2.gz ZFXZMOHQAJCCHM-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cc(F)cc(F)c1 ZINC000191725032 385319127 /nfs/dbraw/zinc/31/91/27/385319127.db2.gz OXFGXVQNPSFJTE-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cc(F)cc(F)c1 ZINC000191725032 385319137 /nfs/dbraw/zinc/31/91/37/385319137.db2.gz OXFGXVQNPSFJTE-UHFFFAOYSA-N 1 2 228.242 1.272 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC12CC2 ZINC000424971239 385265526 /nfs/dbraw/zinc/26/55/26/385265526.db2.gz OEXJABOWVMHCPA-SNVBAGLBSA-N 1 2 219.288 1.021 20 0 BDADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccon1 ZINC000308982215 385322685 /nfs/dbraw/zinc/32/26/85/385322685.db2.gz IOCLUJVFGCFNMZ-IYSWYEEDSA-N 1 2 224.182 1.248 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000424975071 385275044 /nfs/dbraw/zinc/27/50/44/385275044.db2.gz SXTOBXOQJRXFTA-KOLCDFICSA-N 1 2 231.299 1.114 20 0 BDADLO O=C(N[C@@H]1CC12CC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000424975070 385275648 /nfs/dbraw/zinc/27/56/48/385275648.db2.gz SXTOBXOQJRXFTA-GXSJLCMTSA-N 1 2 231.299 1.114 20 0 BDADLO C[C@H](CNC(=O)c1cccn1C)Cn1cc[nH+]c1 ZINC000153734626 385277433 /nfs/dbraw/zinc/27/74/33/385277433.db2.gz KNJAQJKSEREXOE-LLVKDONJSA-N 1 2 246.314 1.288 20 0 BDADLO C[N@H+](CCOCC1CC1)Cc1ncc[nH]1 ZINC000130751152 385281811 /nfs/dbraw/zinc/28/18/11/385281811.db2.gz KYGGGBFOBVCVAF-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO C[N@@H+](CCOCC1CC1)Cc1ncc[nH]1 ZINC000130751152 385281820 /nfs/dbraw/zinc/28/18/20/385281820.db2.gz KYGGGBFOBVCVAF-UHFFFAOYSA-N 1 2 209.293 1.268 20 0 BDADLO Fc1cnccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000648376304 385285528 /nfs/dbraw/zinc/28/55/28/385285528.db2.gz DSKIQDYFAUPFCX-UHFFFAOYSA-N 1 2 232.262 1.502 20 0 BDADLO C[C@H](NC(=O)CCCn1cc[nH+]c1)C(F)(F)F ZINC000644791937 385328741 /nfs/dbraw/zinc/32/87/41/385328741.db2.gz PMQPZSKUUWJAHD-QMMMGPOBSA-N 1 2 249.236 1.730 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178792886 385328899 /nfs/dbraw/zinc/32/88/99/385328899.db2.gz RRZMVENAXICIPK-QJPTWQEYSA-N 1 2 249.358 1.996 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000120455004 385331133 /nfs/dbraw/zinc/33/11/33/385331133.db2.gz IBVSJMWRTUDRTC-MRVPVSSYSA-N 1 2 222.292 1.091 20 0 BDADLO C[C@@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000120455004 385331138 /nfs/dbraw/zinc/33/11/38/385331138.db2.gz IBVSJMWRTUDRTC-MRVPVSSYSA-N 1 2 222.292 1.091 20 0 BDADLO Nc1[nH+]cnc(N2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC000227849541 385343684 /nfs/dbraw/zinc/34/36/84/385343684.db2.gz ZYYTYTLNUCJDPM-HTQZYQBOSA-N 1 2 238.722 1.949 20 0 BDADLO Nc1nc[nH+]c(N2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC000227849541 385343691 /nfs/dbraw/zinc/34/36/91/385343691.db2.gz ZYYTYTLNUCJDPM-HTQZYQBOSA-N 1 2 238.722 1.949 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnn(C)c2)CCO1 ZINC000131576653 385344603 /nfs/dbraw/zinc/34/46/03/385344603.db2.gz SCVADRITGCFICF-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCO1 ZINC000131576653 385344608 /nfs/dbraw/zinc/34/46/08/385344608.db2.gz SCVADRITGCFICF-GFCCVEGCSA-N 1 2 223.320 1.421 20 0 BDADLO COc1ccc(C[NH2+]Cc2cc(C)on2)cn1 ZINC000158101817 385347648 /nfs/dbraw/zinc/34/76/48/385347648.db2.gz LJNZKDJOQWXCPC-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO C[S@@](=O)C1(CNc2cccc[nH+]2)CCC1 ZINC000280715834 385359144 /nfs/dbraw/zinc/35/91/44/385359144.db2.gz IFQXCQSBOZJJTD-OAHLLOKOSA-N 1 2 224.329 1.795 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCCCC(=O)C1 ZINC000643992284 385360539 /nfs/dbraw/zinc/36/05/39/385360539.db2.gz MNCKDQONRCNJIA-SNVBAGLBSA-N 1 2 249.314 1.565 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCCCC(=O)C1 ZINC000643992284 385360544 /nfs/dbraw/zinc/36/05/44/385360544.db2.gz MNCKDQONRCNJIA-SNVBAGLBSA-N 1 2 249.314 1.565 20 0 BDADLO CNc1nnc(SCCn2cc[nH+]c2)s1 ZINC000179477430 385376427 /nfs/dbraw/zinc/37/64/27/385376427.db2.gz CORMDXANVZKKPQ-UHFFFAOYSA-N 1 2 241.345 1.569 20 0 BDADLO COc1cc(C)[nH+]c(CN(CCO)C2CC2)c1 ZINC000168885652 385390751 /nfs/dbraw/zinc/39/07/51/385390751.db2.gz DCOZPQOCSUXYAC-UHFFFAOYSA-N 1 2 236.315 1.355 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC000180634580 385394085 /nfs/dbraw/zinc/39/40/85/385394085.db2.gz KEANVQUSPOTGRX-NSHDSACASA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC000180634580 385394090 /nfs/dbraw/zinc/39/40/90/385394090.db2.gz KEANVQUSPOTGRX-NSHDSACASA-N 1 2 241.360 1.785 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCOC1 ZINC000181022144 385402185 /nfs/dbraw/zinc/40/21/85/385402185.db2.gz QRFPGDZPBIRJCG-QWRGUYRKSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000194063316 385422329 /nfs/dbraw/zinc/42/23/29/385422329.db2.gz PWSQPWCLZFAOPU-NSHDSACASA-N 1 2 247.298 1.387 20 0 BDADLO CN(CCC1CC1)c1[nH+]cnc2c1cnn2C ZINC000179073136 385439852 /nfs/dbraw/zinc/43/98/52/385439852.db2.gz BOXLBQVQMAPMRH-UHFFFAOYSA-N 1 2 231.303 1.600 20 0 BDADLO Cc1cc(C[N@@H+]2CCCO[C@@H](C)C2)no1 ZINC000170771798 385443962 /nfs/dbraw/zinc/44/39/62/385443962.db2.gz SHISFGGUFPAGBR-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO Cc1cc(C[N@H+]2CCCO[C@@H](C)C2)no1 ZINC000170771798 385443966 /nfs/dbraw/zinc/44/39/66/385443966.db2.gz SHISFGGUFPAGBR-JTQLQIEISA-N 1 2 210.277 1.594 20 0 BDADLO CCCc1nc(C[N@H+](C)CCCO)cs1 ZINC000281821833 385449484 /nfs/dbraw/zinc/44/94/84/385449484.db2.gz LTGNGJOAMBNKTO-UHFFFAOYSA-N 1 2 228.361 1.910 20 0 BDADLO CCCc1nc(C[N@@H+](C)CCCO)cs1 ZINC000281821833 385449490 /nfs/dbraw/zinc/44/94/90/385449490.db2.gz LTGNGJOAMBNKTO-UHFFFAOYSA-N 1 2 228.361 1.910 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000309129470 385431674 /nfs/dbraw/zinc/43/16/74/385431674.db2.gz CLYFCUAMBLLIJL-ZETCQYMHSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000309129470 385431680 /nfs/dbraw/zinc/43/16/80/385431680.db2.gz CLYFCUAMBLLIJL-ZETCQYMHSA-N 1 2 239.237 1.822 20 0 BDADLO CCc1c(C(=O)Nc2ccc(N)[nH+]c2)cnn1C ZINC000644084506 385434862 /nfs/dbraw/zinc/43/48/62/385434862.db2.gz OYDQTSOOOZLEDE-UHFFFAOYSA-N 1 2 245.286 1.042 20 0 BDADLO CC[C@H]([NH2+]Cc1noc(C)n1)[C@@H]1CCCO1 ZINC000182272785 385435719 /nfs/dbraw/zinc/43/57/19/385435719.db2.gz SGXOAHIERYALLF-UWVGGRQHSA-N 1 2 225.292 1.425 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCCOC1 ZINC000492801620 385436915 /nfs/dbraw/zinc/43/69/15/385436915.db2.gz PCNMPGZZABJRQG-DOGVGXBMSA-N 1 2 235.287 1.060 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000179401855 385465575 /nfs/dbraw/zinc/46/55/75/385465575.db2.gz JJDHFRWRFOCBNK-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000179401855 385465580 /nfs/dbraw/zinc/46/55/80/385465580.db2.gz JJDHFRWRFOCBNK-VIFPVBQESA-N 1 2 209.293 1.329 20 0 BDADLO COC(=O)c1occc1C[NH2+][C@@H](C)CF ZINC000336768455 385460864 /nfs/dbraw/zinc/46/08/64/385460864.db2.gz UFWRDFONIDWPOZ-ZETCQYMHSA-N 1 2 215.224 1.514 20 0 BDADLO COC[C@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000179813225 385491948 /nfs/dbraw/zinc/49/19/48/385491948.db2.gz PTNZAKLVTVFRHC-SECBINFHSA-N 1 2 237.303 1.794 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCO[C@H](C)C1 ZINC000179849434 385493987 /nfs/dbraw/zinc/49/39/87/385493987.db2.gz BLPQASNRVFQOJO-SNVBAGLBSA-N 1 2 235.287 1.643 20 0 BDADLO Cn1ncnc1C[N@@H+]1CCc2ccccc2C1 ZINC000157306103 385496798 /nfs/dbraw/zinc/49/67/98/385496798.db2.gz DJHMQOOWMPUYLG-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO CC(C)=CC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000111234484 385496820 /nfs/dbraw/zinc/49/68/20/385496820.db2.gz VHOGTWILGRITDZ-LBPRGKRZSA-N 1 2 243.372 1.604 20 0 BDADLO CC(C)=CC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000111234484 385496823 /nfs/dbraw/zinc/49/68/23/385496823.db2.gz VHOGTWILGRITDZ-LBPRGKRZSA-N 1 2 243.372 1.604 20 0 BDADLO Cn1ncnc1C[N@H+]1CCc2ccccc2C1 ZINC000157306103 385496803 /nfs/dbraw/zinc/49/68/03/385496803.db2.gz DJHMQOOWMPUYLG-UHFFFAOYSA-N 1 2 228.299 1.373 20 0 BDADLO CC(C)(C)CCNC(=O)COCc1[nH]cc[nH+]1 ZINC000180035941 385504097 /nfs/dbraw/zinc/50/40/97/385504097.db2.gz CVYAAZCDBXLQHW-UHFFFAOYSA-N 1 2 239.319 1.479 20 0 BDADLO CC(C)(C)c1nc(=N[C@H]2CCC[C@H]2C[NH3+])[nH]o1 ZINC000643011506 385508828 /nfs/dbraw/zinc/50/88/28/385508828.db2.gz UQXHYSXMIPYDOL-IUCAKERBSA-N 1 2 238.335 1.328 20 0 BDADLO CC(C)(C)c1nc(=N[C@@H]2CCC[C@H]2C[NH3+])[nH]o1 ZINC000643011505 385509349 /nfs/dbraw/zinc/50/93/49/385509349.db2.gz UQXHYSXMIPYDOL-DTWKUNHWSA-N 1 2 238.335 1.328 20 0 BDADLO Nc1nc(N2CCO[C@H]3C[C@H]32)[nH+]c2ccccc12 ZINC000644136158 385513845 /nfs/dbraw/zinc/51/38/45/385513845.db2.gz NOBDIOOJKWQWPW-MNOVXSKESA-N 1 2 242.282 1.020 20 0 BDADLO CC(C)[C@H](NC(=O)Cc1cc[nH]n1)c1[nH]cc[nH+]1 ZINC000276734690 385518309 /nfs/dbraw/zinc/51/83/09/385518309.db2.gz UESTXFURFXFZRL-NSHDSACASA-N 1 2 247.302 1.189 20 0 BDADLO FC(F)CN1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000180545226 385529624 /nfs/dbraw/zinc/52/96/24/385529624.db2.gz BWBGBZMDWJCYBC-UHFFFAOYSA-N 1 2 244.289 1.183 20 0 BDADLO CSCC(=O)NCCCNc1cccc[nH+]1 ZINC000172313918 385530411 /nfs/dbraw/zinc/53/04/11/385530411.db2.gz SCFGPCNPGJZSNR-UHFFFAOYSA-N 1 2 239.344 1.363 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C2CCC1CC2 ZINC000493129643 385531025 /nfs/dbraw/zinc/53/10/25/385531025.db2.gz VPELPVZOJICBDV-LZCJLJQNSA-N 1 2 217.272 1.576 20 0 BDADLO FC(F)C[NH2+]Cc1c[nH]c2nccnc12 ZINC000291483310 385544985 /nfs/dbraw/zinc/54/49/85/385544985.db2.gz RKPNFWSHNPFNGN-UHFFFAOYSA-N 1 2 212.203 1.313 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000157800925 385521977 /nfs/dbraw/zinc/52/19/77/385521977.db2.gz MRVNNIADRLGSCO-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000157800925 385521980 /nfs/dbraw/zinc/52/19/80/385521980.db2.gz MRVNNIADRLGSCO-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO Cn1nccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000180445692 385522936 /nfs/dbraw/zinc/52/29/36/385522936.db2.gz NZTNNCKUWZIYGM-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cn1nccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180445692 385522938 /nfs/dbraw/zinc/52/29/38/385522938.db2.gz NZTNNCKUWZIYGM-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)nc1 ZINC000336457597 385553598 /nfs/dbraw/zinc/55/35/98/385553598.db2.gz HWEAXVCVOCGXOP-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CO[C@H](C)CSc1[nH+]cnc2c1cnn2C ZINC000180951101 385556631 /nfs/dbraw/zinc/55/66/31/385556631.db2.gz IBWDGWLRUKRHCQ-SSDOTTSWSA-N 1 2 238.316 1.490 20 0 BDADLO Cc1c[nH+]cc(N[C@H]2CCC(=O)NC2(C)C)c1 ZINC000334494228 385560008 /nfs/dbraw/zinc/56/00/08/385560008.db2.gz BRPOISGQXUHHFB-NSHDSACASA-N 1 2 233.315 1.859 20 0 BDADLO CC[C@](C)([NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)OC ZINC000309409957 385572557 /nfs/dbraw/zinc/57/25/57/385572557.db2.gz BRCKVBYLIBDLTK-FOGDFJRCSA-N 1 2 229.320 1.485 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCC[C@@H]1O ZINC000052007355 385604187 /nfs/dbraw/zinc/60/41/87/385604187.db2.gz NHOVTMXAPVEAFU-UWVGGRQHSA-N 1 2 247.302 1.079 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(CO)cc1 ZINC000280779427 385605383 /nfs/dbraw/zinc/60/53/83/385605383.db2.gz PVWASRIMROBNSU-SNVBAGLBSA-N 1 2 237.299 1.172 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(CO)cc1 ZINC000280779427 385605386 /nfs/dbraw/zinc/60/53/86/385605386.db2.gz PVWASRIMROBNSU-SNVBAGLBSA-N 1 2 237.299 1.172 20 0 BDADLO c1cc([C@H]2CCC[N@@H+](Cc3cncnc3)C2)[nH]n1 ZINC000121167709 385582352 /nfs/dbraw/zinc/58/23/52/385582352.db2.gz AEHZBUCEFOEXGL-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO c1cc([C@H]2CCC[N@H+](Cc3cncnc3)C2)[nH]n1 ZINC000121167709 385582354 /nfs/dbraw/zinc/58/23/54/385582354.db2.gz AEHZBUCEFOEXGL-LBPRGKRZSA-N 1 2 243.314 1.579 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000337302639 385590703 /nfs/dbraw/zinc/59/07/03/385590703.db2.gz QBFXYYPKGATXRY-UHFFFAOYSA-N 1 2 248.334 1.354 20 0 BDADLO C[C@H](O)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280899869 385618149 /nfs/dbraw/zinc/61/81/49/385618149.db2.gz DUUCZWCLJNPMSG-VIFPVBQESA-N 1 2 248.286 1.227 20 0 BDADLO CC1(C)C[C@H]1Nc1[nH+]cnc(-n2cccn2)c1N ZINC000269658470 385621379 /nfs/dbraw/zinc/62/13/79/385621379.db2.gz VUSCTOKUQMPDJB-MRVPVSSYSA-N 1 2 244.302 1.455 20 0 BDADLO C(c1noc(C2CCC2)n1)[NH+]1CCCC1 ZINC000598642458 385624239 /nfs/dbraw/zinc/62/42/39/385624239.db2.gz QUGSMCALCXVEHE-UHFFFAOYSA-N 1 2 207.277 1.933 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC1(C)C ZINC000269818027 385636878 /nfs/dbraw/zinc/63/68/78/385636878.db2.gz BJOCKINPTFAUSH-NXEZZACHSA-N 1 2 221.304 1.434 20 0 BDADLO CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C(=O)OC ZINC000336681692 385633527 /nfs/dbraw/zinc/63/35/27/385633527.db2.gz CZKRONPMAMGLRQ-SSDOTTSWSA-N 1 2 239.237 1.870 20 0 BDADLO CC(C)[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280835385 385609898 /nfs/dbraw/zinc/60/98/98/385609898.db2.gz KCYBWYAVWMFSMU-NSHDSACASA-N 1 2 237.347 1.856 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccnn1C ZINC000309506279 385641469 /nfs/dbraw/zinc/64/14/69/385641469.db2.gz CARZNONSAYZXEF-DTWKUNHWSA-N 1 2 220.276 1.820 20 0 BDADLO COC(=O)C(C)(C)[NH2+]CCSC(C)C ZINC000336652108 385643563 /nfs/dbraw/zinc/64/35/63/385643563.db2.gz KFYZHBPOTZVMHW-UHFFFAOYSA-N 1 2 219.350 1.669 20 0 BDADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccno1 ZINC000281215509 385643687 /nfs/dbraw/zinc/64/36/87/385643687.db2.gz DNKXELQGKQWRBX-SECBINFHSA-N 1 2 226.276 1.448 20 0 BDADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccno1 ZINC000281215509 385643689 /nfs/dbraw/zinc/64/36/89/385643689.db2.gz DNKXELQGKQWRBX-SECBINFHSA-N 1 2 226.276 1.448 20 0 BDADLO Cc1[nH]c(C(=O)NCC2(C3CC3)CC2)c[nH+]1 ZINC000269880012 385645038 /nfs/dbraw/zinc/64/50/38/385645038.db2.gz YGHGHORZMLYRHG-UHFFFAOYSA-N 1 2 219.288 1.638 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000337400767 385648259 /nfs/dbraw/zinc/64/82/59/385648259.db2.gz KPUPXCPAADNLPP-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000337400767 385648262 /nfs/dbraw/zinc/64/82/62/385648262.db2.gz KPUPXCPAADNLPP-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO CSC[C@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337406379 385650108 /nfs/dbraw/zinc/65/01/08/385650108.db2.gz MZJAXICGZXXSDI-BDAKNGLRSA-N 1 2 239.331 1.830 20 0 BDADLO CSC[C@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337406379 385650113 /nfs/dbraw/zinc/65/01/13/385650113.db2.gz MZJAXICGZXXSDI-BDAKNGLRSA-N 1 2 239.331 1.830 20 0 BDADLO C[C@H](F)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307047797 385651440 /nfs/dbraw/zinc/65/14/40/385651440.db2.gz BMYATHFNFBLGGB-RWEMILLDSA-N 1 2 207.314 1.187 20 0 BDADLO C[C@H](F)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000307047797 385651443 /nfs/dbraw/zinc/65/14/43/385651443.db2.gz BMYATHFNFBLGGB-RWEMILLDSA-N 1 2 207.314 1.187 20 0 BDADLO C[C@@H]1OCC[C@H]1SCc1c[nH+]cn1C ZINC000269970874 385655052 /nfs/dbraw/zinc/65/50/52/385655052.db2.gz OIVWJIYUYHFOSE-WCBMZHEXSA-N 1 2 212.318 1.831 20 0 BDADLO C[C@@]1(F)CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000451115679 385655316 /nfs/dbraw/zinc/65/53/16/385655316.db2.gz PKKFWNDUHOEQNA-CYBMUJFWSA-N 1 2 242.338 1.727 20 0 BDADLO C[C@@]1(F)CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000451115679 385655324 /nfs/dbraw/zinc/65/53/24/385655324.db2.gz PKKFWNDUHOEQNA-CYBMUJFWSA-N 1 2 242.338 1.727 20 0 BDADLO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337425733 385656132 /nfs/dbraw/zinc/65/61/32/385656132.db2.gz WPSMRZFEMFYBKP-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO COC[C@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337425733 385656135 /nfs/dbraw/zinc/65/61/35/385656135.db2.gz WPSMRZFEMFYBKP-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CO[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000270077827 385663493 /nfs/dbraw/zinc/66/34/93/385663493.db2.gz KRTBEKOAYFUFGD-SNVBAGLBSA-N 1 2 225.292 1.119 20 0 BDADLO C[C@H]([NH2+]CC(N)=O)c1nc(C(C)(C)C)cs1 ZINC000184472058 385663586 /nfs/dbraw/zinc/66/35/86/385663586.db2.gz GNHOLLACKSIUQL-ZETCQYMHSA-N 1 2 241.360 1.577 20 0 BDADLO CC(C)COCC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000337486346 385674434 /nfs/dbraw/zinc/67/44/34/385674434.db2.gz ZGCIISYBYHEFJM-BLLLJJGKSA-N 1 2 247.404 1.502 20 0 BDADLO CC(C)COCC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000337486346 385674436 /nfs/dbraw/zinc/67/44/36/385674436.db2.gz ZGCIISYBYHEFJM-BLLLJJGKSA-N 1 2 247.404 1.502 20 0 BDADLO CS[C@H](C)CC(=O)NCc1[nH+]ccn1C ZINC000270202115 385685359 /nfs/dbraw/zinc/68/53/59/385685359.db2.gz MMFYETMCSLUZMR-MRVPVSSYSA-N 1 2 227.333 1.178 20 0 BDADLO Cn1nnnc1C[N@H+](C)CCCc1ccccc1 ZINC000340027251 385686395 /nfs/dbraw/zinc/68/63/95/385686395.db2.gz FUCAAVWBRRNNIR-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO Cn1nnnc1C[N@@H+](C)CCCc1ccccc1 ZINC000340027251 385686402 /nfs/dbraw/zinc/68/64/02/385686402.db2.gz FUCAAVWBRRNNIR-UHFFFAOYSA-N 1 2 245.330 1.275 20 0 BDADLO COC[C@@](C)([NH2+]CCC(C)(C)C)C(=O)OC ZINC000182604501 385686432 /nfs/dbraw/zinc/68/64/32/385686432.db2.gz STWHVOKIXSEFPC-GFCCVEGCSA-N 1 2 231.336 1.590 20 0 BDADLO CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337504839 385690389 /nfs/dbraw/zinc/69/03/89/385690389.db2.gz DYBBTWSMXHIBOR-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337504839 385690392 /nfs/dbraw/zinc/69/03/92/385690392.db2.gz DYBBTWSMXHIBOR-UWVGGRQHSA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)n1ccnc1CN(C)Cc1[nH+]ccn1C ZINC000270553119 385717904 /nfs/dbraw/zinc/71/79/04/385717904.db2.gz PLTWGRJWFPIHQZ-UHFFFAOYSA-N 1 2 247.346 1.830 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2cccnc2N)CCO1 ZINC000408457123 385706059 /nfs/dbraw/zinc/70/60/59/385706059.db2.gz NVPFOAIFLMMSBM-LBPRGKRZSA-N 1 2 235.331 1.521 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2cccnc2N)CCO1 ZINC000408457123 385706061 /nfs/dbraw/zinc/70/60/61/385706061.db2.gz NVPFOAIFLMMSBM-LBPRGKRZSA-N 1 2 235.331 1.521 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC=C(C)CC2)n1 ZINC000270398905 385706198 /nfs/dbraw/zinc/70/61/98/385706198.db2.gz ZITSQZWOKMYYKK-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000270398905 385706199 /nfs/dbraw/zinc/70/61/99/385706199.db2.gz ZITSQZWOKMYYKK-SNVBAGLBSA-N 1 2 237.303 1.929 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CCCO ZINC000281916569 385714006 /nfs/dbraw/zinc/71/40/06/385714006.db2.gz SMPHGJTYPUSEPK-UHFFFAOYSA-N 1 2 223.276 1.236 20 0 BDADLO C[C@@H](O)CCC[N@H+](CC(F)F)C1CC1 ZINC000336684262 385671007 /nfs/dbraw/zinc/67/10/07/385671007.db2.gz JNRPOYAVMITBBI-MRVPVSSYSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@@H](O)CCC[N@@H+](CC(F)F)C1CC1 ZINC000336684262 385671013 /nfs/dbraw/zinc/67/10/13/385671013.db2.gz JNRPOYAVMITBBI-MRVPVSSYSA-N 1 2 207.264 1.877 20 0 BDADLO COCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492797614 533145584 /nfs/dbraw/zinc/14/55/84/533145584.db2.gz RXMOQIZZFAPOSX-ARJAWSKDSA-N 1 2 235.287 1.108 20 0 BDADLO Cc1csc([S@@](=O)Cc2[nH+]ccn2C)n1 ZINC000129246662 385742191 /nfs/dbraw/zinc/74/21/91/385742191.db2.gz HRIMUIMUKZJXEU-OAHLLOKOSA-N 1 2 241.341 1.493 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CC=CCC2)c[nH+]1 ZINC000061680407 385744814 /nfs/dbraw/zinc/74/48/14/385744814.db2.gz UHWPKCZDLYREJN-SECBINFHSA-N 1 2 217.272 1.959 20 0 BDADLO Nc1ccc(NC(=O)C[C@H]2C=CCC2)c[nH+]1 ZINC000061680436 385745335 /nfs/dbraw/zinc/74/53/35/385745335.db2.gz KDVAURLRXMATBE-VIFPVBQESA-N 1 2 217.272 1.959 20 0 BDADLO CCN(CC)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000270942268 385762784 /nfs/dbraw/zinc/76/27/84/385762784.db2.gz MTQCEMWCDMVGFS-UHFFFAOYSA-N 1 2 237.351 1.907 20 0 BDADLO CCN(CC)c1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000270942268 385762786 /nfs/dbraw/zinc/76/27/86/385762786.db2.gz MTQCEMWCDMVGFS-UHFFFAOYSA-N 1 2 237.351 1.907 20 0 BDADLO COC(=O)[C@H]([NH2+][C@H](C)CCC1CC1)[C@H](C)O ZINC000309648587 385768463 /nfs/dbraw/zinc/76/84/63/385768463.db2.gz NFWFYUIMMIHZCL-WCABBAIRSA-N 1 2 229.320 1.077 20 0 BDADLO COC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000309661615 385772217 /nfs/dbraw/zinc/77/22/17/385772217.db2.gz RNNOLWUPZGDYJV-AXFHLTTASA-N 1 2 229.320 1.343 20 0 BDADLO CC1(C)CC(CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000340145928 385775477 /nfs/dbraw/zinc/77/54/77/385775477.db2.gz KLMNBFYANZVPQV-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2nccc(N)n2)cc1 ZINC000258694891 385777342 /nfs/dbraw/zinc/77/73/42/385777342.db2.gz KBFNTADFDUNFQI-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2nccc(N)n2)cc1 ZINC000258694891 385777345 /nfs/dbraw/zinc/77/73/45/385777345.db2.gz KBFNTADFDUNFQI-UHFFFAOYSA-N 1 2 242.326 1.999 20 0 BDADLO C[C@@H]1C[C@@H]1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000488432113 385780603 /nfs/dbraw/zinc/78/06/03/385780603.db2.gz GPRLOIKDQZEUBQ-VXGBXAGGSA-N 1 2 247.342 1.408 20 0 BDADLO FC(F)C[NH+]1CCC(NCC(F)(F)F)CC1 ZINC000336703941 385781243 /nfs/dbraw/zinc/78/12/43/385781243.db2.gz ORKNVKLSSCXOHJ-UHFFFAOYSA-N 1 2 246.223 1.868 20 0 BDADLO C[C@@H](O)C[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294003272 385783393 /nfs/dbraw/zinc/78/33/93/385783393.db2.gz SYEMTGPLBFIFKE-SSDOTTSWSA-N 1 2 231.242 1.483 20 0 BDADLO CO[C@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000270613622 385722488 /nfs/dbraw/zinc/72/24/88/385722488.db2.gz YTYPLURIQRSEQT-JTQLQIEISA-N 1 2 231.299 1.798 20 0 BDADLO COCC[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000281993885 385723226 /nfs/dbraw/zinc/72/32/26/385723226.db2.gz WPNKWPQTGPHGHR-SNVBAGLBSA-N 1 2 237.303 1.163 20 0 BDADLO C[C@@H]1OCC[N@H+](Cc2ccn(C)n2)[C@H]1C ZINC000271172050 385798254 /nfs/dbraw/zinc/79/82/54/385798254.db2.gz IBZHRMZAHMFHBK-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@@H]1OCC[N@@H+](Cc2ccn(C)n2)[C@H]1C ZINC000271172050 385798260 /nfs/dbraw/zinc/79/82/60/385798260.db2.gz IBZHRMZAHMFHBK-UWVGGRQHSA-N 1 2 209.293 1.029 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C)C1CC1)C2 ZINC000365821494 385808780 /nfs/dbraw/zinc/80/87/80/385808780.db2.gz AIWYBNHFIFTESL-JQWIXIFHSA-N 1 2 247.342 1.669 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)C1CC1)C2 ZINC000365821495 385809171 /nfs/dbraw/zinc/80/91/71/385809171.db2.gz AIWYBNHFIFTESL-PWSUYJOCSA-N 1 2 247.342 1.669 20 0 BDADLO O=C(C[N@@H+]1CCc2cccc(F)c2C1)N1CCC1 ZINC000271269363 385813799 /nfs/dbraw/zinc/81/37/99/385813799.db2.gz WZPXPQXSIANJJO-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO O=C(C[N@H+]1CCc2cccc(F)c2C1)N1CCC1 ZINC000271269363 385813806 /nfs/dbraw/zinc/81/38/06/385813806.db2.gz WZPXPQXSIANJJO-UHFFFAOYSA-N 1 2 248.301 1.416 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1CF ZINC000294161157 385814935 /nfs/dbraw/zinc/81/49/35/385814935.db2.gz RZJNPZLEMHTKRB-JTQLQIEISA-N 1 2 225.267 1.234 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCC(F)(F)CO ZINC000231780259 385819628 /nfs/dbraw/zinc/81/96/28/385819628.db2.gz JYQOIPPRADZDQM-UHFFFAOYSA-N 1 2 241.241 1.613 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000294187904 385820898 /nfs/dbraw/zinc/82/08/98/385820898.db2.gz QEXCSNGFMNIKSD-BDAKNGLRSA-N 1 2 207.277 1.209 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOc1ccccc1 ZINC000187006699 385823025 /nfs/dbraw/zinc/82/30/25/385823025.db2.gz ROEPXVWIMFOHLE-GFCCVEGCSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOc1ccccc1 ZINC000187006699 385823029 /nfs/dbraw/zinc/82/30/29/385823029.db2.gz ROEPXVWIMFOHLE-GFCCVEGCSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283625871 385824551 /nfs/dbraw/zinc/82/45/51/385824551.db2.gz BBNJXMPSWSGYDN-PFLKOTLJSA-N 1 2 219.288 1.728 20 0 BDADLO CCc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000186996440 385824609 /nfs/dbraw/zinc/82/46/09/385824609.db2.gz QRZYDRNZPXSUFH-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000186996440 385824612 /nfs/dbraw/zinc/82/46/12/385824612.db2.gz QRZYDRNZPXSUFH-LBPRGKRZSA-N 1 2 246.354 1.912 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@@H]2CCC[C@H]21 ZINC000283587800 385824695 /nfs/dbraw/zinc/82/46/95/385824695.db2.gz XBNNRJCSFDTZBK-GKUNOOHESA-N 1 2 247.298 1.203 20 0 BDADLO C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@H]1C ZINC000294228106 385825867 /nfs/dbraw/zinc/82/58/67/385825867.db2.gz ROZNHRHGFLBSLR-ZJUUUORDSA-N 1 2 229.283 1.815 20 0 BDADLO Cc1nc(NC[C@@H]2CC[C@H](C)O2)cc[nH+]1 ZINC000397926571 385826068 /nfs/dbraw/zinc/82/60/68/385826068.db2.gz RMWBFLFSFRIPIO-WPRPVWTQSA-N 1 2 207.277 1.186 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1O ZINC000413222754 385831887 /nfs/dbraw/zinc/83/18/87/385831887.db2.gz KVJFXBQMGAAHJL-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1O ZINC000413222754 385831890 /nfs/dbraw/zinc/83/18/90/385831890.db2.gz KVJFXBQMGAAHJL-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1O ZINC000413222756 385832138 /nfs/dbraw/zinc/83/21/38/385832138.db2.gz KVJFXBQMGAAHJL-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1O ZINC000413222756 385832139 /nfs/dbraw/zinc/83/21/39/385832139.db2.gz KVJFXBQMGAAHJL-ONGXEEELSA-N 1 2 248.330 1.258 20 0 BDADLO CCCCC[N@H+](CCO)Cc1noc(CC)n1 ZINC000112411957 385836188 /nfs/dbraw/zinc/83/61/88/385836188.db2.gz YMZCZSQSUVAEPN-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO CCCCC[N@@H+](CCO)Cc1noc(CC)n1 ZINC000112411957 385836192 /nfs/dbraw/zinc/83/61/92/385836192.db2.gz YMZCZSQSUVAEPN-UHFFFAOYSA-N 1 2 241.335 1.617 20 0 BDADLO C[C@@H](O)CNc1cc(NC2CCCC2)nc[nH+]1 ZINC000294319510 385836480 /nfs/dbraw/zinc/83/64/80/385836480.db2.gz IQOHKTIBSXGATN-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO C[C@@H](O)CNc1cc(NC2CCCC2)[nH+]cn1 ZINC000294319510 385836483 /nfs/dbraw/zinc/83/64/83/385836483.db2.gz IQOHKTIBSXGATN-SECBINFHSA-N 1 2 236.319 1.624 20 0 BDADLO COC(=O)[C@H]1CCC[N@@H+]1CCc1cscn1 ZINC000283909384 385839064 /nfs/dbraw/zinc/83/90/64/385839064.db2.gz JRJAMUKMXZNICT-SNVBAGLBSA-N 1 2 240.328 1.323 20 0 BDADLO COC(=O)[C@H]1CCC[N@H+]1CCc1cscn1 ZINC000283909384 385839069 /nfs/dbraw/zinc/83/90/69/385839069.db2.gz JRJAMUKMXZNICT-SNVBAGLBSA-N 1 2 240.328 1.323 20 0 BDADLO FC(F)CN1CCC[N@H+](Cc2cc[nH]n2)CC1 ZINC000284012002 385845573 /nfs/dbraw/zinc/84/55/73/385845573.db2.gz NUNMWZUUDYMHJO-UHFFFAOYSA-N 1 2 244.289 1.183 20 0 BDADLO FC(F)CN1CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC000284012002 385845580 /nfs/dbraw/zinc/84/55/80/385845580.db2.gz NUNMWZUUDYMHJO-UHFFFAOYSA-N 1 2 244.289 1.183 20 0 BDADLO CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000284005757 385845691 /nfs/dbraw/zinc/84/56/91/385845691.db2.gz NTFQOOQFBZOILS-XVHVLHHCSA-N 1 2 249.314 1.449 20 0 BDADLO Nc1ccnc(C[NH2+]C2(c3ccccc3)CC2)n1 ZINC000271807035 385851256 /nfs/dbraw/zinc/85/12/56/385851256.db2.gz LLNWVCVDNBYDIB-UHFFFAOYSA-N 1 2 240.310 1.838 20 0 BDADLO CCCc1cc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000294458935 385853603 /nfs/dbraw/zinc/85/36/03/385853603.db2.gz CCAKTNWXDGPFRW-UHFFFAOYSA-N 1 2 234.259 1.280 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N(C)CC[C@H](C)O ZINC000271126854 385790148 /nfs/dbraw/zinc/79/01/48/385790148.db2.gz LJRGMERDASNMBP-JTQLQIEISA-N 1 2 237.303 1.625 20 0 BDADLO Cn1cccc1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000282839849 385790306 /nfs/dbraw/zinc/79/03/06/385790306.db2.gz ZYWMYSZNEFDCTA-UHFFFAOYSA-N 1 2 247.346 1.661 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)no1 ZINC000159352099 385886728 /nfs/dbraw/zinc/88/67/28/385886728.db2.gz FAOXQEBTVDTWEL-PSASIEDQSA-N 1 2 225.292 1.113 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)no1 ZINC000159352099 385886733 /nfs/dbraw/zinc/88/67/33/385886733.db2.gz FAOXQEBTVDTWEL-PSASIEDQSA-N 1 2 225.292 1.113 20 0 BDADLO COC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OC ZINC000355074764 385890813 /nfs/dbraw/zinc/89/08/13/385890813.db2.gz IYFYBCQOZKTICM-NWDGAFQWSA-N 1 2 243.347 1.899 20 0 BDADLO Cc1nc(N2Cc3c[nH]nc3C2)cc[nH+]1 ZINC000647843407 385893231 /nfs/dbraw/zinc/89/32/31/385893231.db2.gz MCLYSJNUPDEDFU-UHFFFAOYSA-N 1 2 201.233 1.028 20 0 BDADLO C[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647844534 385895143 /nfs/dbraw/zinc/89/51/43/385895143.db2.gz IUVFTPZDXFDWQK-SECBINFHSA-N 1 2 234.303 1.517 20 0 BDADLO C[C@@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647844534 385895146 /nfs/dbraw/zinc/89/51/46/385895146.db2.gz IUVFTPZDXFDWQK-SECBINFHSA-N 1 2 234.303 1.517 20 0 BDADLO CCCCN(C)c1nc[nH+]c2c1OCCN2 ZINC000647844937 385896957 /nfs/dbraw/zinc/89/69/57/385896957.db2.gz DHANCEXSCJTBDI-UHFFFAOYSA-N 1 2 222.292 1.517 20 0 BDADLO CCCCN(C)c1[nH+]cnc2c1OCCN2 ZINC000647844937 385896959 /nfs/dbraw/zinc/89/69/59/385896959.db2.gz DHANCEXSCJTBDI-UHFFFAOYSA-N 1 2 222.292 1.517 20 0 BDADLO Cc1nc(NC[C@H]2CC2(C)C)nc(N)[nH+]1 ZINC000308858567 385898852 /nfs/dbraw/zinc/89/88/52/385898852.db2.gz JDYIKZXVEJQBHV-SSDOTTSWSA-N 1 2 207.281 1.220 20 0 BDADLO Cc1nc(N)nc(NC[C@H]2CC2(C)C)[nH+]1 ZINC000308858567 385898856 /nfs/dbraw/zinc/89/88/56/385898856.db2.gz JDYIKZXVEJQBHV-SSDOTTSWSA-N 1 2 207.281 1.220 20 0 BDADLO CC[C@H]1CO[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000272493593 385907396 /nfs/dbraw/zinc/90/73/96/385907396.db2.gz SNKKCLKXDYUWKV-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nccn1C ZINC000272493593 385907400 /nfs/dbraw/zinc/90/74/00/385907400.db2.gz SNKKCLKXDYUWKV-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nccn1C ZINC000272493593 385907404 /nfs/dbraw/zinc/90/74/04/385907404.db2.gz SNKKCLKXDYUWKV-QWRGUYRKSA-N 1 2 223.320 1.419 20 0 BDADLO C[C@@H](Nc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000647853843 385907975 /nfs/dbraw/zinc/90/79/75/385907975.db2.gz MVJFDFJQZONIFB-SSDOTTSWSA-N 1 2 220.276 1.491 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000647853843 385907982 /nfs/dbraw/zinc/90/79/82/385907982.db2.gz MVJFDFJQZONIFB-SSDOTTSWSA-N 1 2 220.276 1.491 20 0 BDADLO CC(C)c1nc(N2CC[C@@](O)(C3CC3)C2)cc[nH+]1 ZINC000365976458 385908392 /nfs/dbraw/zinc/90/83/92/385908392.db2.gz ORONQACAZHSTQX-AWEZNQCLSA-N 1 2 247.342 1.951 20 0 BDADLO CC(C)N1CC[N@H+](Cc2cccn2C)CC1=O ZINC000272524375 385911640 /nfs/dbraw/zinc/91/16/40/385911640.db2.gz LSUNPLYCLUNDLN-UHFFFAOYSA-N 1 2 235.331 1.078 20 0 BDADLO CC(C)N1CC[N@@H+](Cc2cccn2C)CC1=O ZINC000272524375 385911649 /nfs/dbraw/zinc/91/16/49/385911649.db2.gz LSUNPLYCLUNDLN-UHFFFAOYSA-N 1 2 235.331 1.078 20 0 BDADLO COC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341989680 385914313 /nfs/dbraw/zinc/91/43/13/385914313.db2.gz MLIISEYCKIGRMX-UHFFFAOYSA-N 1 2 239.237 1.824 20 0 BDADLO Cn1cc(CC[N@@H+]2CCC=C(F)C2)cn1 ZINC000272593374 385915145 /nfs/dbraw/zinc/91/51/45/385915145.db2.gz XNYGTMMYQKSHRR-UHFFFAOYSA-N 1 2 209.268 1.522 20 0 BDADLO Cn1cc(CC[N@H+]2CCC=C(F)C2)cn1 ZINC000272593374 385915150 /nfs/dbraw/zinc/91/51/50/385915150.db2.gz XNYGTMMYQKSHRR-UHFFFAOYSA-N 1 2 209.268 1.522 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000338234109 385925482 /nfs/dbraw/zinc/92/54/82/385925482.db2.gz XLKUOHCOZRISFP-MMWGEVLESA-N 1 2 239.315 1.095 20 0 BDADLO Nc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c[nH+]1 ZINC000335036205 385925849 /nfs/dbraw/zinc/92/58/49/385925849.db2.gz ACCYOVDHQFXLAC-BDAKNGLRSA-N 1 2 237.278 1.961 20 0 BDADLO C[C@H](O)[C@@H]1C[N@H+](C/C=C\c2ccncc2)CCO1 ZINC000414588975 385866033 /nfs/dbraw/zinc/86/60/33/385866033.db2.gz WCKWDIRXFWAOKF-GLKJWWJJSA-N 1 2 248.326 1.176 20 0 BDADLO C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C ZINC000284385808 385865966 /nfs/dbraw/zinc/86/59/66/385865966.db2.gz MJGZLFLAIHQTGU-OKWQPMOJSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@H](O)[C@@H]1C[N@@H+](C/C=C\c2ccncc2)CCO1 ZINC000414588975 385866036 /nfs/dbraw/zinc/86/60/36/385866036.db2.gz WCKWDIRXFWAOKF-GLKJWWJJSA-N 1 2 248.326 1.176 20 0 BDADLO Cc1coc(C)c1C(=O)NCc1[nH]c[nH+]c1C ZINC000284401818 385866627 /nfs/dbraw/zinc/86/66/27/385866627.db2.gz QRYDHECPVQOBAP-UHFFFAOYSA-N 1 2 233.271 1.858 20 0 BDADLO CCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340472217 385867312 /nfs/dbraw/zinc/86/73/12/385867312.db2.gz GZJBVOIZFMUOMV-NSHDSACASA-N 1 2 231.303 1.679 20 0 BDADLO C[C@@H](F)CC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340472153 385867421 /nfs/dbraw/zinc/86/74/21/385867421.db2.gz ZSSHPEIGWGLFOY-KOLCDFICSA-N 1 2 249.293 1.627 20 0 BDADLO COC(=O)C1=C(C)O[C@@H](Cn2cc[nH+]c2)C1 ZINC000272012175 385867678 /nfs/dbraw/zinc/86/76/78/385867678.db2.gz GJPZQYURDJMEFC-SECBINFHSA-N 1 2 222.244 1.119 20 0 BDADLO CCC[C@H](OC)C(=O)Nc1c[nH+]ccc1OC ZINC000294673916 385879333 /nfs/dbraw/zinc/87/93/33/385879333.db2.gz WHHMDLVJPVIOLT-NSHDSACASA-N 1 2 238.287 1.844 20 0 BDADLO CCCc1nc(CN2CCn3c[nH+]cc3C2)no1 ZINC000647940628 385879495 /nfs/dbraw/zinc/87/94/95/385879495.db2.gz LYQKHCDJGMPQDE-UHFFFAOYSA-N 1 2 247.302 1.234 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000284727483 385882408 /nfs/dbraw/zinc/88/24/08/385882408.db2.gz WSGPYYMMGIRQGH-UTUOFQBUSA-N 1 2 248.330 1.675 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+]([C@@H]2C=CCCC2)C1 ZINC000284727483 385882412 /nfs/dbraw/zinc/88/24/12/385882412.db2.gz WSGPYYMMGIRQGH-UTUOFQBUSA-N 1 2 248.330 1.675 20 0 BDADLO Cc1noc([C@@H](C)[NH2+]CCC(=O)OC(C)C)n1 ZINC000340496370 385978683 /nfs/dbraw/zinc/97/86/83/385978683.db2.gz MPYWOVRRQHFUPH-MRVPVSSYSA-N 1 2 241.291 1.370 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)no1 ZINC000189260781 385979244 /nfs/dbraw/zinc/97/92/44/385979244.db2.gz ALIWKYMXAOXHMY-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)no1 ZINC000189260781 385979250 /nfs/dbraw/zinc/97/92/50/385979250.db2.gz ALIWKYMXAOXHMY-NXEZZACHSA-N 1 2 239.319 1.489 20 0 BDADLO Oc1ccc(F)c(C[N@@H+]2CCCOCC2)c1F ZINC000334293165 385980637 /nfs/dbraw/zinc/98/06/37/385980637.db2.gz PKELKQHXANIMBN-UHFFFAOYSA-N 1 2 243.253 1.893 20 0 BDADLO Oc1ccc(F)c(C[N@H+]2CCCOCC2)c1F ZINC000334293165 385980646 /nfs/dbraw/zinc/98/06/46/385980646.db2.gz PKELKQHXANIMBN-UHFFFAOYSA-N 1 2 243.253 1.893 20 0 BDADLO C[N@H+](Cc1nc(C(F)F)no1)[C@H]1CCOC1 ZINC000425412297 385990731 /nfs/dbraw/zinc/99/07/31/385990731.db2.gz ZBWPCXASYOIFGG-LURJTMIESA-N 1 2 233.218 1.228 20 0 BDADLO C[N@@H+](Cc1nc(C(F)F)no1)[C@H]1CCOC1 ZINC000425412297 385990734 /nfs/dbraw/zinc/99/07/34/385990734.db2.gz ZBWPCXASYOIFGG-LURJTMIESA-N 1 2 233.218 1.228 20 0 BDADLO C[N@H+](Cc1ncnn1C(C)(C)C)C1CC1 ZINC000338235713 385931664 /nfs/dbraw/zinc/93/16/64/385931664.db2.gz SFMINLWEOYMOQZ-UHFFFAOYSA-N 1 2 208.309 1.627 20 0 BDADLO C[N@@H+](Cc1ncnn1C(C)(C)C)C1CC1 ZINC000338235713 385931669 /nfs/dbraw/zinc/93/16/69/385931669.db2.gz SFMINLWEOYMOQZ-UHFFFAOYSA-N 1 2 208.309 1.627 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CC[C@@H]1O ZINC000159416179 385931651 /nfs/dbraw/zinc/93/16/51/385931651.db2.gz ZDGNSBBMZKRIBH-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC[C@@H]1O ZINC000159416179 385931659 /nfs/dbraw/zinc/93/16/59/385931659.db2.gz ZDGNSBBMZKRIBH-WPRPVWTQSA-N 1 2 237.303 1.150 20 0 BDADLO Cc1n[nH]cc1CN(C)Cc1[nH+]ccn1C ZINC000272819207 385936607 /nfs/dbraw/zinc/93/66/07/385936607.db2.gz OMIRJAZAFZQNMM-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2CCOC[C@H](C)C2)s1 ZINC000338273491 385938361 /nfs/dbraw/zinc/93/83/61/385938361.db2.gz FSVCTQOVHHVDAC-BDAKNGLRSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2CCOC[C@H](C)C2)s1 ZINC000338273491 385938364 /nfs/dbraw/zinc/93/83/64/385938364.db2.gz FSVCTQOVHHVDAC-BDAKNGLRSA-N 1 2 241.360 1.876 20 0 BDADLO Cc1cc(C[NH2+]Cc2cc(C)no2)on1 ZINC000309068526 385948896 /nfs/dbraw/zinc/94/88/96/385948896.db2.gz ATROSFYJHMGKHY-UHFFFAOYSA-N 1 2 207.233 1.569 20 0 BDADLO C[N@H+](CC(=O)NCC1CC1)Cc1ccoc1 ZINC000345093102 385993553 /nfs/dbraw/zinc/99/35/53/385993553.db2.gz SNTHNSJBUWLJFI-UHFFFAOYSA-N 1 2 222.288 1.238 20 0 BDADLO C[N@@H+](CC(=O)NCC1CC1)Cc1ccoc1 ZINC000345093102 385993556 /nfs/dbraw/zinc/99/35/56/385993556.db2.gz SNTHNSJBUWLJFI-UHFFFAOYSA-N 1 2 222.288 1.238 20 0 BDADLO Cc1cc[nH+]c(N[C@H](C)CC(N)=O)c1Cl ZINC000336768574 385949699 /nfs/dbraw/zinc/94/96/99/385949699.db2.gz URBIZZYRLLIZOE-SSDOTTSWSA-N 1 2 227.695 1.719 20 0 BDADLO Cc1nscc1C(=O)NCc1[nH+]ccn1C ZINC000272926478 385951994 /nfs/dbraw/zinc/95/19/94/385951994.db2.gz PAPNHFZDYBHMNP-UHFFFAOYSA-N 1 2 236.300 1.115 20 0 BDADLO Cc1cc(C)c(CNC(=O)c2ccon2)c[nH+]1 ZINC000335055343 385953804 /nfs/dbraw/zinc/95/38/04/385953804.db2.gz ADJLHTCUZAPSPJ-UHFFFAOYSA-N 1 2 231.255 1.616 20 0 BDADLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cn[nH]c1 ZINC000338294476 385956322 /nfs/dbraw/zinc/95/63/22/385956322.db2.gz APAIHNCBRWBRBH-VIFPVBQESA-N 1 2 248.334 1.607 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000338309243 385957645 /nfs/dbraw/zinc/95/76/45/385957645.db2.gz QGDFGTFWAAIWPE-VXNVDRBHSA-N 1 2 239.344 1.364 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000338309243 385957650 /nfs/dbraw/zinc/95/76/50/385957650.db2.gz QGDFGTFWAAIWPE-VXNVDRBHSA-N 1 2 239.344 1.364 20 0 BDADLO CC(C)=CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338297002 385957715 /nfs/dbraw/zinc/95/77/15/385957715.db2.gz VAKKRVSCWXKRNE-GFCCVEGCSA-N 1 2 223.316 1.633 20 0 BDADLO CC(C)=CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338297002 385957722 /nfs/dbraw/zinc/95/77/22/385957722.db2.gz VAKKRVSCWXKRNE-GFCCVEGCSA-N 1 2 223.316 1.633 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295098428 385967073 /nfs/dbraw/zinc/96/70/73/385967073.db2.gz GBOOFZXPYGDJBZ-LBPRGKRZSA-N 1 2 249.358 1.769 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295098428 385967081 /nfs/dbraw/zinc/96/70/81/385967081.db2.gz GBOOFZXPYGDJBZ-LBPRGKRZSA-N 1 2 249.358 1.769 20 0 BDADLO CC[C@H](O)CCCNc1cc(C)[nH+]cn1 ZINC000336769291 385970032 /nfs/dbraw/zinc/97/00/32/385970032.db2.gz URTGRXFBFWIPSY-JTQLQIEISA-N 1 2 209.293 1.170 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000335015485 385971729 /nfs/dbraw/zinc/97/17/29/385971729.db2.gz GAUFSWVWPZWAOR-CHWSQXEVSA-N 1 2 235.327 1.775 20 0 BDADLO O=C(C1CC1)[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000335015485 385971738 /nfs/dbraw/zinc/97/17/38/385971738.db2.gz GAUFSWVWPZWAOR-CHWSQXEVSA-N 1 2 235.327 1.775 20 0 BDADLO Cn1cc[nH+]c1CN1CC(O)(c2ccccc2)C1 ZINC000285869568 385972455 /nfs/dbraw/zinc/97/24/55/385972455.db2.gz YCJQRCNPWQSMKM-UHFFFAOYSA-N 1 2 243.310 1.124 20 0 BDADLO CC[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)C(=O)OC ZINC000336749734 385999583 /nfs/dbraw/zinc/99/95/83/385999583.db2.gz YWIFOWGKIWCXCS-JBLDHEPKSA-N 1 2 229.320 1.079 20 0 BDADLO COc1c(CNc2cc(C)[nH+]cn2)c(C)nn1C ZINC000161754052 386001764 /nfs/dbraw/zinc/00/17/64/386001764.db2.gz SBZCVSXKYYETLO-UHFFFAOYSA-N 1 2 247.302 1.448 20 0 BDADLO CCCc1nc(C(=O)N2CC[NH+](C)CC2)co1 ZINC000273440803 386002192 /nfs/dbraw/zinc/00/21/92/386002192.db2.gz AYCNEKZGLIGCHY-UHFFFAOYSA-N 1 2 237.303 1.015 20 0 BDADLO COC[C@H]1C[N@H+](Cc2ccccn2)C[C@H](C)O1 ZINC000189403944 386004888 /nfs/dbraw/zinc/00/48/88/386004888.db2.gz VSMCSDHQPKEWCO-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO COC[C@H]1C[N@@H+](Cc2ccccn2)C[C@H](C)O1 ZINC000189403944 386004894 /nfs/dbraw/zinc/00/48/94/386004894.db2.gz VSMCSDHQPKEWCO-WCQYABFASA-N 1 2 236.315 1.317 20 0 BDADLO CCC[C@@H]1C[N@H+](Cc2cnc(C)cn2)CCO1 ZINC000340223165 386005145 /nfs/dbraw/zinc/00/51/45/386005145.db2.gz VFNRNKNQJPCNPC-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)CCO1 ZINC000340223165 386005153 /nfs/dbraw/zinc/00/51/53/386005153.db2.gz VFNRNKNQJPCNPC-CYBMUJFWSA-N 1 2 235.331 1.786 20 0 BDADLO CCN(C)C(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000273500170 386007150 /nfs/dbraw/zinc/00/71/50/386007150.db2.gz MGVYPZFUPKVFLT-SNVBAGLBSA-N 1 2 240.303 1.035 20 0 BDADLO C[C@@H](Nc1cccc[nH+]1)c1nnc2n1CCC2 ZINC000273523664 386009398 /nfs/dbraw/zinc/00/93/98/386009398.db2.gz XGOWMTDGIRBERP-SECBINFHSA-N 1 2 229.287 1.792 20 0 BDADLO CCCc1nc(C(=O)NCCn2cc[nH+]c2)co1 ZINC000273532139 386009627 /nfs/dbraw/zinc/00/96/27/386009627.db2.gz DEDJOCBTLJWMPL-UHFFFAOYSA-N 1 2 248.286 1.254 20 0 BDADLO CCc1cncc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000345141305 386009737 /nfs/dbraw/zinc/00/97/37/386009737.db2.gz PUPCBIHUTYYVGP-UHFFFAOYSA-N 1 2 244.298 1.308 20 0 BDADLO C[C@H]([NH2+]CC(F)(F)CO)[C@]1(C)CCCO1 ZINC000336751555 386009848 /nfs/dbraw/zinc/00/98/48/386009848.db2.gz GMIIHNPLGBMANH-IUCAKERBSA-N 1 2 223.263 1.161 20 0 BDADLO Cn1ncc2c1nc(N[C@@H]1CCC1(C)C)[nH+]c2N ZINC000286234181 386012015 /nfs/dbraw/zinc/01/20/15/386012015.db2.gz BJTRVKVTGIFDJI-MRVPVSSYSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@]1(F)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000295583425 386056310 /nfs/dbraw/zinc/05/63/10/386056310.db2.gz NKFIXOMTIRHWHF-LBPRGKRZSA-N 1 2 239.294 1.624 20 0 BDADLO CN(c1[nH+]c2ccccc2n1C)[C@@H]1CCC[C@H]1O ZINC000286265703 386018455 /nfs/dbraw/zinc/01/84/55/386018455.db2.gz GZMAORRHTHZNKY-CHWSQXEVSA-N 1 2 245.326 1.923 20 0 BDADLO C[N@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CCOC1 ZINC000295358826 386018636 /nfs/dbraw/zinc/01/86/36/386018636.db2.gz NPZMAJGJASOHHG-MRVPVSSYSA-N 1 2 243.253 1.891 20 0 BDADLO C[N@@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CCOC1 ZINC000295358826 386018641 /nfs/dbraw/zinc/01/86/41/386018641.db2.gz NPZMAJGJASOHHG-MRVPVSSYSA-N 1 2 243.253 1.891 20 0 BDADLO Cc1cc(CNC(=O)c2cnc[nH]2)cc(C)[nH+]1 ZINC000335070884 386020107 /nfs/dbraw/zinc/02/01/07/386020107.db2.gz ZBILFWLFJALHBW-UHFFFAOYSA-N 1 2 230.271 1.352 20 0 BDADLO CCc1[nH]ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000286314509 386022150 /nfs/dbraw/zinc/02/21/50/386022150.db2.gz WHZLLDAKULRLEG-UHFFFAOYSA-N 1 2 246.314 1.594 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000295392618 386022524 /nfs/dbraw/zinc/02/25/24/386022524.db2.gz PZPYBLRWGSIBFP-RYUDHWBXSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000295392618 386022527 /nfs/dbraw/zinc/02/25/27/386022527.db2.gz PZPYBLRWGSIBFP-RYUDHWBXSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1nocc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000295392612 386022686 /nfs/dbraw/zinc/02/26/86/386022686.db2.gz PZPYBLRWGSIBFP-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO Cc1nocc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000295392612 386022691 /nfs/dbraw/zinc/02/26/91/386022691.db2.gz PZPYBLRWGSIBFP-NWDGAFQWSA-N 1 2 222.288 1.736 20 0 BDADLO CC[N@@H+]1CCC[C@@H]1CNCc1snnc1C ZINC000309740511 386023051 /nfs/dbraw/zinc/02/30/51/386023051.db2.gz HPLYAPUGBKGEEF-SNVBAGLBSA-N 1 2 240.376 1.420 20 0 BDADLO CC[N@H+]1CCC[C@@H]1CNCc1snnc1C ZINC000309740511 386023057 /nfs/dbraw/zinc/02/30/57/386023057.db2.gz HPLYAPUGBKGEEF-SNVBAGLBSA-N 1 2 240.376 1.420 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000189569697 386028403 /nfs/dbraw/zinc/02/84/03/386028403.db2.gz QNABIBOXIGTEPE-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO Cc1oncc1C[NH2+][C@H](CCO)c1ccco1 ZINC000189585969 386034509 /nfs/dbraw/zinc/03/45/09/386034509.db2.gz ATVRCMBPVYONPE-LLVKDONJSA-N 1 2 236.271 1.789 20 0 BDADLO CSC1(C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000334431621 386034657 /nfs/dbraw/zinc/03/46/57/386034657.db2.gz WHAOWHPMUAVGLZ-UHFFFAOYSA-N 1 2 228.361 1.046 20 0 BDADLO CC/C=C(\C)C(=O)NCc1[nH+]ccn1CC ZINC000295463112 386038455 /nfs/dbraw/zinc/03/84/55/386038455.db2.gz CDYXRGYVGWPYEH-UXBLZVDNSA-N 1 2 221.304 1.876 20 0 BDADLO FC(F)C[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000286436872 386038447 /nfs/dbraw/zinc/03/84/47/386038447.db2.gz LKOSJVQTMQHAHY-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO FC(F)C[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000286436872 386038452 /nfs/dbraw/zinc/03/84/52/386038452.db2.gz LKOSJVQTMQHAHY-VIFPVBQESA-N 1 2 231.246 1.266 20 0 BDADLO Cn1c[nH+]cc1CN1CCOC[C@@H]1CC(F)F ZINC000286441293 386039057 /nfs/dbraw/zinc/03/90/57/386039057.db2.gz LUDNBGWYEXAWII-VIFPVBQESA-N 1 2 245.273 1.276 20 0 BDADLO CC[C@@H](C)OCC(=O)NCc1[nH+]ccn1CC ZINC000295595345 386057174 /nfs/dbraw/zinc/05/71/74/386057174.db2.gz IBAOMUPVLDPPEC-SNVBAGLBSA-N 1 2 239.319 1.334 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000334437660 386045554 /nfs/dbraw/zinc/04/55/54/386045554.db2.gz RPAYNTIKDFDQNZ-WCBMZHEXSA-N 1 2 209.293 1.998 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000334437660 386045556 /nfs/dbraw/zinc/04/55/56/386045556.db2.gz RPAYNTIKDFDQNZ-WCBMZHEXSA-N 1 2 209.293 1.998 20 0 BDADLO CC1(C)C[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000124408311 386046399 /nfs/dbraw/zinc/04/63/99/386046399.db2.gz YTNQFMSVKDCORG-QMMMGPOBSA-N 1 2 205.261 1.648 20 0 BDADLO CC[C@](C)([NH2+]C[C@@H](OC)C1CC1)C(=O)OC ZINC000425426760 386049774 /nfs/dbraw/zinc/04/97/74/386049774.db2.gz WPNLQXWJRVMFKB-PWSUYJOCSA-N 1 2 229.320 1.343 20 0 BDADLO Cc1ccc(Cc2noc(C3(C)COC3)n2)c[nH+]1 ZINC000273932902 386051624 /nfs/dbraw/zinc/05/16/24/386051624.db2.gz MCSYGYJTMDIOIM-UHFFFAOYSA-N 1 2 245.282 1.652 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@H]1CC(F)F ZINC000286563821 386053431 /nfs/dbraw/zinc/05/34/31/386053431.db2.gz UARHJQBIBGWEOV-SECBINFHSA-N 1 2 245.273 1.276 20 0 BDADLO Cc1cnccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274437388 386103021 /nfs/dbraw/zinc/10/30/21/386103021.db2.gz AGOSOXYDXSNQDM-LLVKDONJSA-N 1 2 244.298 1.405 20 0 BDADLO COc1ccncc1C[N@H+](C)Cc1cnn(C)c1 ZINC000287213600 386104893 /nfs/dbraw/zinc/10/48/93/386104893.db2.gz ISPXFZHEFVHTIM-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1ccncc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000287213600 386104905 /nfs/dbraw/zinc/10/49/05/386104905.db2.gz ISPXFZHEFVHTIM-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO Cc1nc(C)c(CNC(=O)c2c[nH+]c(C)[nH]2)o1 ZINC000334456388 386108100 /nfs/dbraw/zinc/10/81/00/386108100.db2.gz HHXWMDRHSHYNEC-UHFFFAOYSA-N 1 2 234.259 1.253 20 0 BDADLO CC/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC000295932880 386108290 /nfs/dbraw/zinc/10/82/90/386108290.db2.gz KAFGZDALOXRISG-ONEGZZNKSA-N 1 2 207.277 1.356 20 0 BDADLO COc1nccnc1C[N@@H+]1CCC[C@H]1CF ZINC000295962810 386114838 /nfs/dbraw/zinc/11/48/38/386114838.db2.gz HYQCRSYLOIOJJH-VIFPVBQESA-N 1 2 225.267 1.419 20 0 BDADLO COc1nccnc1C[N@H+]1CCC[C@H]1CF ZINC000295962810 386114841 /nfs/dbraw/zinc/11/48/41/386114841.db2.gz HYQCRSYLOIOJJH-VIFPVBQESA-N 1 2 225.267 1.419 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334461512 386119660 /nfs/dbraw/zinc/11/96/60/386119660.db2.gz WDFHQXMMRZMSSG-SNVBAGLBSA-N 1 2 247.342 1.819 20 0 BDADLO CC1(C)CC(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334461512 386119663 /nfs/dbraw/zinc/11/96/63/386119663.db2.gz WDFHQXMMRZMSSG-SNVBAGLBSA-N 1 2 247.342 1.819 20 0 BDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC(C2CC2)C1 ZINC000643288784 386059042 /nfs/dbraw/zinc/05/90/42/386059042.db2.gz FKTQQQSEJIPIMD-LLVKDONJSA-N 1 2 245.326 1.314 20 0 BDADLO C[NH2+]Cc1noc(CCc2ccc(C)s2)n1 ZINC000414648573 386064609 /nfs/dbraw/zinc/06/46/09/386064609.db2.gz VPZHIAYQHOCIAG-UHFFFAOYSA-N 1 2 237.328 1.944 20 0 BDADLO C[N@H+](CCC(N)=O)Cc1ncc(C(C)(C)C)o1 ZINC000286662348 386064716 /nfs/dbraw/zinc/06/47/16/386064716.db2.gz ZZUKSOSULGBHKO-UHFFFAOYSA-N 1 2 239.319 1.279 20 0 BDADLO C[N@@H+](CCC(N)=O)Cc1ncc(C(C)(C)C)o1 ZINC000286662348 386064717 /nfs/dbraw/zinc/06/47/17/386064717.db2.gz ZZUKSOSULGBHKO-UHFFFAOYSA-N 1 2 239.319 1.279 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC(C2CC2)C1 ZINC000643292446 386074749 /nfs/dbraw/zinc/07/47/49/386074749.db2.gz MFQDUAXIGXIADC-UHFFFAOYSA-N 1 2 233.315 1.221 20 0 BDADLO C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414886365 386074883 /nfs/dbraw/zinc/07/48/83/386074883.db2.gz PVBIXTDWBOCSRG-LBPRGKRZSA-N 1 2 244.342 1.699 20 0 BDADLO c1ccc(OCC[N@@H+]2CCOCC23CC3)cc1 ZINC000338600774 386075505 /nfs/dbraw/zinc/07/55/05/386075505.db2.gz XQOCTKRKCHHSGR-UHFFFAOYSA-N 1 2 233.311 1.930 20 0 BDADLO c1ccc(OCC[N@H+]2CCOCC23CC3)cc1 ZINC000338600774 386075512 /nfs/dbraw/zinc/07/55/12/386075512.db2.gz XQOCTKRKCHHSGR-UHFFFAOYSA-N 1 2 233.311 1.930 20 0 BDADLO C[C@@H]([NH2+]Cc1nccn1C)c1cncc(F)c1 ZINC000223112676 386077026 /nfs/dbraw/zinc/07/70/26/386077026.db2.gz KNWFKPUPRUOFQC-SECBINFHSA-N 1 2 234.278 1.805 20 0 BDADLO CC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000286853964 386078112 /nfs/dbraw/zinc/07/81/12/386078112.db2.gz FZRPBIKTQVAWCK-UHFFFAOYSA-N 1 2 209.245 1.932 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000440689877 386078946 /nfs/dbraw/zinc/07/89/46/386078946.db2.gz DXLSWFZNBARZDG-RYUDHWBXSA-N 1 2 241.310 1.332 20 0 BDADLO CC[C@H](F)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000440689877 386078948 /nfs/dbraw/zinc/07/89/48/386078948.db2.gz DXLSWFZNBARZDG-RYUDHWBXSA-N 1 2 241.310 1.332 20 0 BDADLO C[N@H+](Cc1cc(F)ccc1F)C(C)(C)C(N)=O ZINC000295764517 386081493 /nfs/dbraw/zinc/08/14/93/386081493.db2.gz RXVOQIDQJBLZLB-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO C[N@@H+](Cc1cc(F)ccc1F)C(C)(C)C(N)=O ZINC000295764517 386081498 /nfs/dbraw/zinc/08/14/98/386081498.db2.gz RXVOQIDQJBLZLB-UHFFFAOYSA-N 1 2 242.269 1.661 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000345262160 386084869 /nfs/dbraw/zinc/08/48/69/386084869.db2.gz GYLZSMMOFWCLSI-IJLUTSLNSA-N 1 2 235.331 1.824 20 0 BDADLO Cc1nnc(NCCc2[nH+]cccc2C)o1 ZINC000295809791 386089419 /nfs/dbraw/zinc/08/94/19/386089419.db2.gz UCHCNBORACLDKZ-UHFFFAOYSA-N 1 2 218.260 1.736 20 0 BDADLO CC[C@H](CO)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000295832011 386091942 /nfs/dbraw/zinc/09/19/42/386091942.db2.gz QMTVUQCVTZGZCL-LLVKDONJSA-N 1 2 247.298 1.177 20 0 BDADLO COCc1cnc(C[NH+]2CC(C)C2)s1 ZINC000338959269 386189598 /nfs/dbraw/zinc/18/95/98/386189598.db2.gz WFGGLJNMESLTRI-UHFFFAOYSA-N 1 2 212.318 1.741 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(CCO)[C@H](C)C2)o1 ZINC000190251051 386158584 /nfs/dbraw/zinc/15/85/84/386158584.db2.gz HXPZRIIEKZVLGH-LLVKDONJSA-N 1 2 238.331 1.086 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(CCO)[C@H](C)C2)o1 ZINC000190251051 386158590 /nfs/dbraw/zinc/15/85/90/386158590.db2.gz HXPZRIIEKZVLGH-LLVKDONJSA-N 1 2 238.331 1.086 20 0 BDADLO CCCc1noc(C[N@@H+]2CCC[C@@](C)(O)C2)n1 ZINC000124815466 386160097 /nfs/dbraw/zinc/16/00/97/386160097.db2.gz LBLZMTHAGAIGOT-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO CCCc1noc(C[N@H+]2CCC[C@@](C)(O)C2)n1 ZINC000124815466 386160103 /nfs/dbraw/zinc/16/01/03/386160103.db2.gz LBLZMTHAGAIGOT-GFCCVEGCSA-N 1 2 239.319 1.369 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](C)C1 ZINC000263656779 386163616 /nfs/dbraw/zinc/16/36/16/386163616.db2.gz DKOHWYWJQZYQBT-MNOVXSKESA-N 1 2 236.319 1.323 20 0 BDADLO Cn1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000336085107 386190542 /nfs/dbraw/zinc/19/05/42/386190542.db2.gz UQUCHWYLJNUKLK-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO Cn1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)cn1 ZINC000336085107 386190552 /nfs/dbraw/zinc/19/05/52/386190552.db2.gz UQUCHWYLJNUKLK-GFCCVEGCSA-N 1 2 221.304 1.031 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccnc1F ZINC000235495675 386169127 /nfs/dbraw/zinc/16/91/27/386169127.db2.gz WQXPLRPEXUAXHF-SECBINFHSA-N 1 2 248.261 1.236 20 0 BDADLO CCN(CC(C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343178287 386171854 /nfs/dbraw/zinc/17/18/54/386171854.db2.gz PWNGVAXJXJTORO-GFCCVEGCSA-N 1 2 249.358 1.950 20 0 BDADLO CC[C@H](O)CSc1nc(N)cc(C)[nH+]1 ZINC000148614151 386174645 /nfs/dbraw/zinc/17/46/45/386174645.db2.gz HIALHZXSOQTEPR-ZETCQYMHSA-N 1 2 213.306 1.230 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000414372925 386180772 /nfs/dbraw/zinc/18/07/72/386180772.db2.gz QNLUMBFFONWCMO-STQMWFEESA-N 1 2 247.342 1.792 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000414372925 386180776 /nfs/dbraw/zinc/18/07/76/386180776.db2.gz QNLUMBFFONWCMO-STQMWFEESA-N 1 2 247.342 1.792 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000275123145 386183529 /nfs/dbraw/zinc/18/35/29/386183529.db2.gz PTCWVGYGYZMVDD-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1ccncc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000275123145 386183534 /nfs/dbraw/zinc/18/35/34/386183534.db2.gz PTCWVGYGYZMVDD-CQSZACIVSA-N 1 2 246.310 1.672 20 0 BDADLO Cc1nc(N[C@@H]2CC[C@@H](C)C[C@H]2C)nc(N)[nH+]1 ZINC000310130943 386131089 /nfs/dbraw/zinc/13/10/89/386131089.db2.gz YTOYXPNNNJJQCS-NQMVMOMDSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CC[C@@H](C)C[C@H]2C)[nH+]1 ZINC000310130943 386131092 /nfs/dbraw/zinc/13/10/92/386131092.db2.gz YTOYXPNNNJJQCS-NQMVMOMDSA-N 1 2 235.335 1.999 20 0 BDADLO Cc1c(C[N@H+](C2CC2)C2COC2)cnn1C ZINC000296084274 386134403 /nfs/dbraw/zinc/13/44/03/386134403.db2.gz QSRXYPKYPFFZLS-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO Cc1c(C[N@@H+](C2CC2)C2COC2)cnn1C ZINC000296084274 386134411 /nfs/dbraw/zinc/13/44/11/386134411.db2.gz QSRXYPKYPFFZLS-UHFFFAOYSA-N 1 2 221.304 1.092 20 0 BDADLO COc1nccnc1C[NH2+]Cc1occc1C ZINC000296115122 386138041 /nfs/dbraw/zinc/13/80/41/386138041.db2.gz SPORXTPURLNJLP-UHFFFAOYSA-N 1 2 233.271 1.676 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H](C2CC2)C1 ZINC000355459137 386140033 /nfs/dbraw/zinc/14/00/33/386140033.db2.gz LMFGJMDNQCABRJ-LLVKDONJSA-N 1 2 233.315 1.601 20 0 BDADLO O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000428083866 386202266 /nfs/dbraw/zinc/20/22/66/386202266.db2.gz LPMTXZMCLCSJTC-XEZLXBQYSA-N 1 2 245.326 1.360 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccno1 ZINC000275380415 386204710 /nfs/dbraw/zinc/20/47/10/386204710.db2.gz AYGCBJKXDODCPW-NSHDSACASA-N 1 2 237.303 1.021 20 0 BDADLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccno1 ZINC000275380415 386204714 /nfs/dbraw/zinc/20/47/14/386204714.db2.gz AYGCBJKXDODCPW-NSHDSACASA-N 1 2 237.303 1.021 20 0 BDADLO CCC1(O)CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC000347052768 386206629 /nfs/dbraw/zinc/20/66/29/386206629.db2.gz KZGZANXWNBHXTR-JTQLQIEISA-N 1 2 238.335 1.113 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@@H](C)CO)cs1 ZINC000125033541 386214796 /nfs/dbraw/zinc/21/47/96/386214796.db2.gz AUWNWOQIASZRNC-ZETCQYMHSA-N 1 2 200.307 1.264 20 0 BDADLO Cc1nc(C[N@H+](C)[C@@H](C)CO)cs1 ZINC000125033541 386214802 /nfs/dbraw/zinc/21/48/02/386214802.db2.gz AUWNWOQIASZRNC-ZETCQYMHSA-N 1 2 200.307 1.264 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cnccc1OC ZINC000347026920 386221115 /nfs/dbraw/zinc/22/11/15/386221115.db2.gz CSXGEFXTYARBCF-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cnccc1OC ZINC000347026920 386221118 /nfs/dbraw/zinc/22/11/18/386221118.db2.gz CSXGEFXTYARBCF-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO Cc1cnccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000297032709 386221168 /nfs/dbraw/zinc/22/11/68/386221168.db2.gz XMILPLYUGYFOGH-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1cnccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000297032709 386221172 /nfs/dbraw/zinc/22/11/72/386221172.db2.gz XMILPLYUGYFOGH-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CC1(Cl)Cl ZINC000264260599 386222732 /nfs/dbraw/zinc/22/27/32/386222732.db2.gz CYIAWAYDMCXZJX-LURJTMIESA-N 1 2 248.113 1.230 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCO[C@H](C)C2)no1 ZINC000408360088 386225391 /nfs/dbraw/zinc/22/53/91/386225391.db2.gz RUGVJGLJTGMWLG-MWLCHTKSSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@@H]2CCO[C@H](C)C2)no1 ZINC000408360088 386225394 /nfs/dbraw/zinc/22/53/94/386225394.db2.gz RUGVJGLJTGMWLG-MWLCHTKSSA-N 1 2 239.319 1.625 20 0 BDADLO C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347036448 386226666 /nfs/dbraw/zinc/22/66/66/386226666.db2.gz GXMYKEGXWNCNDV-WZRBSPASSA-N 1 2 236.315 1.224 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccccn1 ZINC000275654567 386226694 /nfs/dbraw/zinc/22/66/94/386226694.db2.gz XLCFEPNZQCUISP-NSHDSACASA-N 1 2 222.288 1.465 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccn1 ZINC000275654567 386226699 /nfs/dbraw/zinc/22/66/99/386226699.db2.gz XLCFEPNZQCUISP-NSHDSACASA-N 1 2 222.288 1.465 20 0 BDADLO C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000347036448 386226670 /nfs/dbraw/zinc/22/66/70/386226670.db2.gz GXMYKEGXWNCNDV-WZRBSPASSA-N 1 2 236.315 1.224 20 0 BDADLO Cc1ocnc1C(=O)NCCNc1cccc[nH+]1 ZINC000264324193 386226923 /nfs/dbraw/zinc/22/69/23/386226923.db2.gz QOBIKNQRFCZLBT-UHFFFAOYSA-N 1 2 246.270 1.220 20 0 BDADLO CN(C)c1ccc(CNC(=O)NC2CCC2)c[nH+]1 ZINC000264351064 386229659 /nfs/dbraw/zinc/22/96/59/386229659.db2.gz CIMFXMSZUALQEH-UHFFFAOYSA-N 1 2 248.330 1.499 20 0 BDADLO Cc1noc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000288779992 386231291 /nfs/dbraw/zinc/23/12/91/386231291.db2.gz KJIDFNWCFXHXMG-UHFFFAOYSA-N 1 2 233.271 1.919 20 0 BDADLO Cc1noc(C[N@H+]2CCCc3occc3C2)n1 ZINC000288779992 386231295 /nfs/dbraw/zinc/23/12/95/386231295.db2.gz KJIDFNWCFXHXMG-UHFFFAOYSA-N 1 2 233.271 1.919 20 0 BDADLO CC[C@H](Nc1ncccn1)c1[nH]cc[nH+]1 ZINC000125221949 386235097 /nfs/dbraw/zinc/23/50/97/386235097.db2.gz JUAVUTYBTGFFNK-QMMMGPOBSA-N 1 2 203.249 1.763 20 0 BDADLO CC(C)[NH+]1CC(NC(=O)c2ccoc2C2CC2)C1 ZINC000297240095 386236497 /nfs/dbraw/zinc/23/64/97/386236497.db2.gz ZDNKPRJSEGFOCN-UHFFFAOYSA-N 1 2 248.326 1.979 20 0 BDADLO CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000347128001 386237497 /nfs/dbraw/zinc/23/74/97/386237497.db2.gz JTBZKBOMCXWFGT-UHFFFAOYSA-N 1 2 243.310 1.981 20 0 BDADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)/C=C/C1CC1)C2 ZINC000365630197 386240715 /nfs/dbraw/zinc/24/07/15/386240715.db2.gz KZQVYJQDGQAXJH-NTYUQYKDSA-N 1 2 245.326 1.589 20 0 BDADLO CO[C@@H](C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275833132 386244397 /nfs/dbraw/zinc/24/43/97/386244397.db2.gz MJAVPFRZFMQRLD-JQWIXIFHSA-N 1 2 246.314 1.519 20 0 BDADLO Cn1cnnc1C[N@H+](C)CCc1ccccc1F ZINC000264549854 386245591 /nfs/dbraw/zinc/24/55/91/386245591.db2.gz IDUWMZPQOILURC-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO Cn1cnnc1C[N@@H+](C)CCc1ccccc1F ZINC000264549854 386245595 /nfs/dbraw/zinc/24/55/95/386245595.db2.gz IDUWMZPQOILURC-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO CC[C@H](NC(=O)CCSC)c1[nH]cc[nH+]1 ZINC000125337342 386245835 /nfs/dbraw/zinc/24/58/35/386245835.db2.gz XCTFMWWHGOIUCA-QMMMGPOBSA-N 1 2 227.333 1.730 20 0 BDADLO CCc1ncc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000414390576 386257026 /nfs/dbraw/zinc/25/70/26/386257026.db2.gz ABUBIVUXLMLZMT-MNOVXSKESA-N 1 2 235.331 1.648 20 0 BDADLO CCc1ncc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cn1 ZINC000414390576 386257029 /nfs/dbraw/zinc/25/70/29/386257029.db2.gz ABUBIVUXLMLZMT-MNOVXSKESA-N 1 2 235.331 1.648 20 0 BDADLO Cc1nc(N(C)C)nc(N[C@H]2CCCC[C@@H]2C)[nH+]1 ZINC000408362314 386258269 /nfs/dbraw/zinc/25/82/69/386258269.db2.gz NIPFZCBIOCGJFA-ONGXEEELSA-N 1 2 249.362 1.659 20 0 BDADLO Cc1nc(N[C@H]2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000408362314 386258275 /nfs/dbraw/zinc/25/82/75/386258275.db2.gz NIPFZCBIOCGJFA-ONGXEEELSA-N 1 2 249.362 1.659 20 0 BDADLO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000428103151 386197880 /nfs/dbraw/zinc/19/78/80/386197880.db2.gz PKMYPJASDNWUAN-HNCHTBHHSA-N 1 2 245.326 1.360 20 0 BDADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)cn1 ZINC000276174069 386281443 /nfs/dbraw/zinc/28/14/43/386281443.db2.gz FTZMXNSIHGILKD-ABKXIKBNSA-N 1 2 244.335 1.420 20 0 BDADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)cn1 ZINC000276174069 386281447 /nfs/dbraw/zinc/28/14/47/386281447.db2.gz FTZMXNSIHGILKD-ABKXIKBNSA-N 1 2 244.335 1.420 20 0 BDADLO Cn1ncc2c1nc(NCC1CCCC1)[nH+]c2N ZINC000276157652 386281612 /nfs/dbraw/zinc/28/16/12/386281612.db2.gz JUJOJYPAATZOOT-UHFFFAOYSA-N 1 2 246.318 1.548 20 0 BDADLO CC[C@@H](C)[C@@H]([NH2+]CCOC1CCC1)C(=O)OC ZINC000347198386 386282191 /nfs/dbraw/zinc/28/21/91/386282191.db2.gz LLVPSWFEPRCUTE-ZYHUDNBSSA-N 1 2 243.347 1.733 20 0 BDADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1nncn1C ZINC000264885897 386282910 /nfs/dbraw/zinc/28/29/10/386282910.db2.gz RZOQBPJQLFGFMG-QMMMGPOBSA-N 1 2 244.302 1.656 20 0 BDADLO Cc1cnc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000336663515 386285791 /nfs/dbraw/zinc/28/57/91/386285791.db2.gz SRXWTJHIJAMOQK-GHMZBOCLSA-N 1 2 221.304 1.394 20 0 BDADLO CC(F)(F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289337983 386286983 /nfs/dbraw/zinc/28/69/83/386286983.db2.gz YVTMNVUCIXMKQI-UHFFFAOYSA-N 1 2 239.225 1.606 20 0 BDADLO C[C@H](O)CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289358712 386290620 /nfs/dbraw/zinc/29/06/20/386290620.db2.gz YZKFYDPIZBDNCV-CMPLNLGQSA-N 1 2 246.314 1.255 20 0 BDADLO Cn1nncc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000289391259 386296570 /nfs/dbraw/zinc/29/65/70/386296570.db2.gz QZNXWAHMNHZWJP-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO Cn1nncc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000289391259 386296575 /nfs/dbraw/zinc/29/65/75/386296575.db2.gz QZNXWAHMNHZWJP-UHFFFAOYSA-N 1 2 243.314 1.375 20 0 BDADLO C[N@H+](Cc1cccs1)[C@@H]1CCOC1=O ZINC000298101759 386297943 /nfs/dbraw/zinc/29/79/43/386297943.db2.gz ZFEWGQXZIOWVAO-SECBINFHSA-N 1 2 211.286 1.495 20 0 BDADLO C[N@@H+](Cc1cccs1)[C@@H]1CCOC1=O ZINC000298101759 386297951 /nfs/dbraw/zinc/29/79/51/386297951.db2.gz ZFEWGQXZIOWVAO-SECBINFHSA-N 1 2 211.286 1.495 20 0 BDADLO CCC(=O)N1CC[N@H+](CCOC(C)(C)C)C1 ZINC000425521928 386324810 /nfs/dbraw/zinc/32/48/10/386324810.db2.gz UVVUFSAXQYIDQP-UHFFFAOYSA-N 1 2 228.336 1.313 20 0 BDADLO CCC(=O)N1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000425521928 386324817 /nfs/dbraw/zinc/32/48/17/386324817.db2.gz UVVUFSAXQYIDQP-UHFFFAOYSA-N 1 2 228.336 1.313 20 0 BDADLO C[C@@]1([NH2+]CCCOc2ccccc2)CCOC1=O ZINC000289407939 386299966 /nfs/dbraw/zinc/29/99/66/386299966.db2.gz ARHOBFKDNYFTTK-CQSZACIVSA-N 1 2 249.310 1.751 20 0 BDADLO Cc1oncc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335266074 386303347 /nfs/dbraw/zinc/30/33/47/386303347.db2.gz RTCAKYFFPPYYAG-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO Cc1oncc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000335266074 386303350 /nfs/dbraw/zinc/30/33/50/386303350.db2.gz RTCAKYFFPPYYAG-TVQRCGJNSA-N 1 2 236.315 1.982 20 0 BDADLO Fc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000335265800 386303652 /nfs/dbraw/zinc/30/36/52/386303652.db2.gz NFYBLEVCBAUOKZ-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO Fc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)nc1 ZINC000335265800 386303656 /nfs/dbraw/zinc/30/36/56/386303656.db2.gz NFYBLEVCBAUOKZ-CYBMUJFWSA-N 1 2 236.290 1.832 20 0 BDADLO CC[C@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000339219928 386306393 /nfs/dbraw/zinc/30/63/93/386306393.db2.gz LKPHUYXGZKHOGT-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000339219928 386306398 /nfs/dbraw/zinc/30/63/98/386306398.db2.gz LKPHUYXGZKHOGT-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCOC1=O ZINC000298212330 386309357 /nfs/dbraw/zinc/30/93/57/386309357.db2.gz VRFLRVPNJCKTPD-NSHDSACASA-N 1 2 241.237 1.712 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCOC1=O ZINC000298212330 386309362 /nfs/dbraw/zinc/30/93/62/386309362.db2.gz VRFLRVPNJCKTPD-NSHDSACASA-N 1 2 241.237 1.712 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000265144863 386310558 /nfs/dbraw/zinc/31/05/58/386310558.db2.gz MREPAWZBVSPPFO-CYBMUJFWSA-N 1 2 231.299 1.407 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)CCC1CC1 ZINC000265207264 386314904 /nfs/dbraw/zinc/31/49/04/386314904.db2.gz KMFPMBIKGRSWQM-UHFFFAOYSA-N 1 2 221.304 1.569 20 0 BDADLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccccn2)C1 ZINC000297516051 386261931 /nfs/dbraw/zinc/26/19/31/386261931.db2.gz WISUFUYAHDMQHB-UHFFFAOYSA-N 1 2 248.326 1.855 20 0 BDADLO CCSCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187051051 386263636 /nfs/dbraw/zinc/26/36/36/386263636.db2.gz HJBPQYUDQHJILC-UHFFFAOYSA-N 1 2 244.404 1.540 20 0 BDADLO CCSCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187051051 386263637 /nfs/dbraw/zinc/26/36/37/386263637.db2.gz HJBPQYUDQHJILC-UHFFFAOYSA-N 1 2 244.404 1.540 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H]2CC=CCC2)c[nH+]1 ZINC000264700565 386264185 /nfs/dbraw/zinc/26/41/85/386264185.db2.gz BVRYVSXIFNPBMI-SNVBAGLBSA-N 1 2 219.288 1.804 20 0 BDADLO C[C@@H]1C(=O)N(C)CN1c1[nH+]c2ccccc2n1C ZINC000645394580 386265030 /nfs/dbraw/zinc/26/50/30/386265030.db2.gz HUFGLPGCFPGXKX-SECBINFHSA-N 1 2 244.298 1.198 20 0 BDADLO Cc1cnn(C)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000289131310 386265519 /nfs/dbraw/zinc/26/55/19/386265519.db2.gz ONEZZAGVMKZQAE-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO Cc1cnn(C)c1C[N@H+](C)Cc1cnn(C)c1 ZINC000289131310 386265523 /nfs/dbraw/zinc/26/55/23/386265523.db2.gz ONEZZAGVMKZQAE-UHFFFAOYSA-N 1 2 233.319 1.094 20 0 BDADLO CC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@@H]1O ZINC000340576059 386267805 /nfs/dbraw/zinc/26/78/05/386267805.db2.gz XIAFQIYYJMFVMH-QWRGUYRKSA-N 1 2 235.331 1.807 20 0 BDADLO Cc1ccnc(C[N@@H+](C)[C@@H]2CCOC2)n1 ZINC000336653366 386268432 /nfs/dbraw/zinc/26/84/32/386268432.db2.gz YGGAKNOSTUDYTB-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO Cc1ccnc(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000336653366 386268435 /nfs/dbraw/zinc/26/84/35/386268435.db2.gz YGGAKNOSTUDYTB-SNVBAGLBSA-N 1 2 207.277 1.006 20 0 BDADLO CCN(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000264820601 386273444 /nfs/dbraw/zinc/27/34/44/386273444.db2.gz ANHHYXQAMXRRBF-UHFFFAOYSA-N 1 2 246.314 1.804 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289268784 386277033 /nfs/dbraw/zinc/27/70/33/386277033.db2.gz DWMSRANFJZZFAK-STQMWFEESA-N 1 2 246.310 1.577 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289268784 386277035 /nfs/dbraw/zinc/27/70/35/386277035.db2.gz DWMSRANFJZZFAK-STQMWFEESA-N 1 2 246.310 1.577 20 0 BDADLO CC[C@H](N[C@@H]1CCn2cc[nH+]c21)C(F)F ZINC000453252778 386277962 /nfs/dbraw/zinc/27/79/62/386277962.db2.gz VRRZKOMZEDMHJZ-JGVFFNPUSA-N 1 2 215.247 1.961 20 0 BDADLO CO[C@H](C)C[N@H+](C)Cc1nc(C2CC2)no1 ZINC000336682948 386340557 /nfs/dbraw/zinc/34/05/57/386340557.db2.gz YUWWDYORDNXDDP-MRVPVSSYSA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000336682948 386340564 /nfs/dbraw/zinc/34/05/64/386340564.db2.gz YUWWDYORDNXDDP-MRVPVSSYSA-N 1 2 225.292 1.414 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCO ZINC000265502664 386344082 /nfs/dbraw/zinc/34/40/82/386344082.db2.gz NFSBYMMKPKECRR-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCO ZINC000265502664 386344085 /nfs/dbraw/zinc/34/40/85/386344085.db2.gz NFSBYMMKPKECRR-LBPRGKRZSA-N 1 2 237.299 1.215 20 0 BDADLO CSC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000276590285 386348981 /nfs/dbraw/zinc/34/89/81/386348981.db2.gz MYJZRLZJONDOPA-VIFPVBQESA-N 1 2 241.360 1.220 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000339281077 386350645 /nfs/dbraw/zinc/35/06/45/386350645.db2.gz HWXNRUJVKKJYMA-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000339281077 386350650 /nfs/dbraw/zinc/35/06/50/386350650.db2.gz HWXNRUJVKKJYMA-JTQLQIEISA-N 1 2 231.299 1.784 20 0 BDADLO CC(C)=CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276598672 386351254 /nfs/dbraw/zinc/35/12/54/386351254.db2.gz HTBHZSNUCOHUEX-LLVKDONJSA-N 1 2 236.319 1.537 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1ncnn1C(C)C ZINC000339283973 386352866 /nfs/dbraw/zinc/35/28/66/386352866.db2.gz PDVWJXJLIVGRAK-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1ncnn1C(C)C ZINC000339283973 386352870 /nfs/dbraw/zinc/35/28/70/386352870.db2.gz PDVWJXJLIVGRAK-JTQLQIEISA-N 1 2 224.308 1.080 20 0 BDADLO O=C(OCC(F)(F)F)N1CCn2c[nH+]cc2C1 ZINC000289773929 386353036 /nfs/dbraw/zinc/35/30/36/386353036.db2.gz ZZXOIWBGWFSXGV-UHFFFAOYSA-N 1 2 249.192 1.398 20 0 BDADLO CCC1(O)CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000336689531 386355466 /nfs/dbraw/zinc/35/54/66/386355466.db2.gz HRUAKPUEMYERKK-UHFFFAOYSA-N 1 2 235.331 1.522 20 0 BDADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000276629439 386356225 /nfs/dbraw/zinc/35/62/25/386356225.db2.gz SKCSQDYGAQTSFF-MVIFTORASA-N 1 2 221.304 1.974 20 0 BDADLO C[N@H+](Cc1ncc(C2CC2)o1)C1CC(O)C1 ZINC000353520764 386356646 /nfs/dbraw/zinc/35/66/46/386356646.db2.gz OUTJYNYWOFHNQE-UHFFFAOYSA-N 1 2 222.288 1.507 20 0 BDADLO C[N@@H+](Cc1ncc(C2CC2)o1)C1CC(O)C1 ZINC000353520764 386356650 /nfs/dbraw/zinc/35/66/50/386356650.db2.gz OUTJYNYWOFHNQE-UHFFFAOYSA-N 1 2 222.288 1.507 20 0 BDADLO COc1ncccc1C[NH2+]Cc1[nH]ncc1C ZINC000289915276 386370408 /nfs/dbraw/zinc/37/04/08/386370408.db2.gz OFEQMCMZHTUKJZ-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO COc1ncccc1C[NH2+]Cc1n[nH]cc1C ZINC000289915276 386370414 /nfs/dbraw/zinc/37/04/14/386370414.db2.gz OFEQMCMZHTUKJZ-UHFFFAOYSA-N 1 2 232.287 1.412 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H](O)COC(C)(C)C ZINC000265778333 386370425 /nfs/dbraw/zinc/37/04/25/386370425.db2.gz DUMSHPMIKLNSBA-LLVKDONJSA-N 1 2 242.319 1.282 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H](O)COC(C)(C)C ZINC000265778333 386370431 /nfs/dbraw/zinc/37/04/31/386370431.db2.gz DUMSHPMIKLNSBA-LLVKDONJSA-N 1 2 242.319 1.282 20 0 BDADLO C[C@@H]1c2nncn2CC[N@@H+]1[C@H]1C=CCCC1 ZINC000276773382 386374932 /nfs/dbraw/zinc/37/49/32/386374932.db2.gz IEJHHSFKNIGAHF-MNOVXSKESA-N 1 2 218.304 1.763 20 0 BDADLO C[C@@H]1c2nncn2CC[N@H+]1[C@H]1C=CCCC1 ZINC000276773382 386374933 /nfs/dbraw/zinc/37/49/33/386374933.db2.gz IEJHHSFKNIGAHF-MNOVXSKESA-N 1 2 218.304 1.763 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347385846 386376090 /nfs/dbraw/zinc/37/60/90/386376090.db2.gz PJJDQDTYJVDRNC-GFCCVEGCSA-N 1 2 230.327 1.727 20 0 BDADLO CCCCCNC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347385846 386376097 /nfs/dbraw/zinc/37/60/97/386376097.db2.gz PJJDQDTYJVDRNC-GFCCVEGCSA-N 1 2 230.327 1.727 20 0 BDADLO CN(C)c1ccc(CNC(=O)C2CC=CC2)c[nH+]1 ZINC000265821363 386376216 /nfs/dbraw/zinc/37/62/16/386376216.db2.gz CCPOPACIPGKOJN-UHFFFAOYSA-N 1 2 245.326 1.730 20 0 BDADLO C[C@H]1c2nncn2CC[N@H+]1Cc1cncc(F)c1 ZINC000276797194 386377058 /nfs/dbraw/zinc/37/70/58/386377058.db2.gz LTYONVBNARXGOO-VIFPVBQESA-N 1 2 247.277 1.389 20 0 BDADLO C[C@H]1c2nncn2CC[N@@H+]1Cc1cncc(F)c1 ZINC000276797194 386377064 /nfs/dbraw/zinc/37/70/64/386377064.db2.gz LTYONVBNARXGOO-VIFPVBQESA-N 1 2 247.277 1.389 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C(C)C)C(C)(C)O)c[nH+]1 ZINC000276831766 386380010 /nfs/dbraw/zinc/38/00/10/386380010.db2.gz WLKWBSUGBPGSSH-JTQLQIEISA-N 1 2 239.319 1.243 20 0 BDADLO Cc1ccncc1C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000276841833 386380306 /nfs/dbraw/zinc/38/03/06/386380306.db2.gz QTXAUJJWDFUGMQ-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO Cc1ccncc1C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000276841833 386380309 /nfs/dbraw/zinc/38/03/09/386380309.db2.gz QTXAUJJWDFUGMQ-NSHDSACASA-N 1 2 243.314 1.558 20 0 BDADLO CO[C@H](C(=O)Nc1ccc[nH+]c1N(C)C)C1CC1 ZINC000298781307 386383577 /nfs/dbraw/zinc/38/35/77/386383577.db2.gz DMEPZRRAJGAUIF-NSHDSACASA-N 1 2 249.314 1.511 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000425522661 386325930 /nfs/dbraw/zinc/32/59/30/386325930.db2.gz NAUDZKRPPNBYFG-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000425522661 386325954 /nfs/dbraw/zinc/32/59/54/386325954.db2.gz NAUDZKRPPNBYFG-NXEZZACHSA-N 1 2 239.319 1.836 20 0 BDADLO CCc1ncc(C[N@H+](C)[C@H]2CCNC2=O)s1 ZINC000336677349 386327326 /nfs/dbraw/zinc/32/73/26/386327326.db2.gz NRMRNKSGQRHOSG-VIFPVBQESA-N 1 2 239.344 1.026 20 0 BDADLO CCc1ncc(C[N@@H+](C)[C@H]2CCNC2=O)s1 ZINC000336677349 386327328 /nfs/dbraw/zinc/32/73/28/386327328.db2.gz NRMRNKSGQRHOSG-VIFPVBQESA-N 1 2 239.344 1.026 20 0 BDADLO O=C(CC1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000298354818 386330733 /nfs/dbraw/zinc/33/07/33/386330733.db2.gz QAHIGIUHKDRBRY-UHFFFAOYSA-N 1 2 248.326 1.724 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000347336063 386334123 /nfs/dbraw/zinc/33/41/23/386334123.db2.gz KWZLRJDPZANYLZ-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO Cc1ncc(C[N@H+]2CCC[C@@](F)(CO)C2)cn1 ZINC000347336063 386334125 /nfs/dbraw/zinc/33/41/25/386334125.db2.gz KWZLRJDPZANYLZ-LBPRGKRZSA-N 1 2 239.294 1.081 20 0 BDADLO C[C@H](O)CNc1cc(N(C)C2CCC2)nc[nH+]1 ZINC000298815765 386386167 /nfs/dbraw/zinc/38/61/67/386386167.db2.gz GFPWZFZBWDYLHZ-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO C[C@H](O)CNc1cc(N(C)C2CCC2)[nH+]cn1 ZINC000298815765 386386172 /nfs/dbraw/zinc/38/61/72/386386172.db2.gz GFPWZFZBWDYLHZ-VIFPVBQESA-N 1 2 236.319 1.258 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC(C)(C)O1 ZINC000336680933 386337079 /nfs/dbraw/zinc/33/70/79/386337079.db2.gz WPNSBWUPAKEFRW-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)C[C@H]1CCC(C)(C)O1 ZINC000336680933 386337081 /nfs/dbraw/zinc/33/70/81/386337081.db2.gz WPNSBWUPAKEFRW-LLVKDONJSA-N 1 2 223.320 1.799 20 0 BDADLO C[N@H+](Cc1ccoc1)[C@H]1CCN(C2CC2)C1=O ZINC000336718762 386438761 /nfs/dbraw/zinc/43/87/61/386438761.db2.gz XFUWRENIWRJSIO-LBPRGKRZSA-N 1 2 234.299 1.475 20 0 BDADLO C[N@@H+](Cc1ccoc1)[C@H]1CCN(C2CC2)C1=O ZINC000336718762 386438767 /nfs/dbraw/zinc/43/87/67/386438767.db2.gz XFUWRENIWRJSIO-LBPRGKRZSA-N 1 2 234.299 1.475 20 0 BDADLO Cc1ccnc(C[NH2+][C@@H](C)c2cn[nH]c2)n1 ZINC000336777919 386440862 /nfs/dbraw/zinc/44/08/62/386440862.db2.gz JVXGXZADXABMCO-VIFPVBQESA-N 1 2 217.276 1.359 20 0 BDADLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000347529091 386442318 /nfs/dbraw/zinc/44/23/18/386442318.db2.gz SVCFKCIRAZUHNT-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cn1 ZINC000347529091 386442322 /nfs/dbraw/zinc/44/23/22/386442322.db2.gz SVCFKCIRAZUHNT-AWEZNQCLSA-N 1 2 248.326 1.381 20 0 BDADLO COCCOC1C[NH+](Cc2ccoc2C)C1 ZINC000414433731 386442511 /nfs/dbraw/zinc/44/25/11/386442511.db2.gz PYULZGBEZFSRNH-UHFFFAOYSA-N 1 2 225.288 1.435 20 0 BDADLO CCc1ncc(CN[C@@H]2CCC[N@H+](C)[C@@H]2C)cn1 ZINC000414435276 386446935 /nfs/dbraw/zinc/44/69/35/386446935.db2.gz QUEZMYMFWIVGLK-DGCLKSJQSA-N 1 2 248.374 1.611 20 0 BDADLO CCc1ncc(CN[C@@H]2CCC[N@@H+](C)[C@@H]2C)cn1 ZINC000414435276 386446938 /nfs/dbraw/zinc/44/69/38/386446938.db2.gz QUEZMYMFWIVGLK-DGCLKSJQSA-N 1 2 248.374 1.611 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCOC[C@@H]1C ZINC000277582968 386448693 /nfs/dbraw/zinc/44/86/93/386448693.db2.gz WABUTLCLDYSXEF-JQWIXIFHSA-N 1 2 249.314 1.937 20 0 BDADLO Cc1cnc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cn1 ZINC000336704621 386391882 /nfs/dbraw/zinc/39/18/82/386391882.db2.gz NERVZEIPMILTSY-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cn1 ZINC000336704621 386391883 /nfs/dbraw/zinc/39/18/83/386391883.db2.gz NERVZEIPMILTSY-NSHDSACASA-N 1 2 235.331 1.784 20 0 BDADLO Cn1ncc(C[N@H+](C)[C@H]2CCc3ccccc32)n1 ZINC000290119220 386396781 /nfs/dbraw/zinc/39/67/81/386396781.db2.gz YOIVSWNWLZQCMM-AWEZNQCLSA-N 1 2 242.326 1.934 20 0 BDADLO Cn1ncc(C[N@@H+](C)[C@H]2CCc3ccccc32)n1 ZINC000290119220 386396785 /nfs/dbraw/zinc/39/67/85/386396785.db2.gz YOIVSWNWLZQCMM-AWEZNQCLSA-N 1 2 242.326 1.934 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(C)nn1 ZINC000414426951 386400259 /nfs/dbraw/zinc/40/02/59/386400259.db2.gz DIDMMGQYDMBXEU-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C)nn1 ZINC000414426951 386400264 /nfs/dbraw/zinc/40/02/64/386400264.db2.gz DIDMMGQYDMBXEU-ZDUSSCGKSA-N 1 2 235.331 1.786 20 0 BDADLO Cc1cnn(C)c1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000290164294 386400666 /nfs/dbraw/zinc/40/06/66/386400666.db2.gz XVWWVSQUHJSGSZ-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1cnn(C)c1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000290164294 386400670 /nfs/dbraw/zinc/40/06/70/386400670.db2.gz XVWWVSQUHJSGSZ-QWRGUYRKSA-N 1 2 223.320 1.338 20 0 BDADLO Cc1nocc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000339390740 386401666 /nfs/dbraw/zinc/40/16/66/386401666.db2.gz HYIBZZUYGMTZNB-LBPRGKRZSA-N 1 2 246.314 1.957 20 0 BDADLO CO[C@@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000290171459 386402229 /nfs/dbraw/zinc/40/22/29/386402229.db2.gz OWFVXYLXQNVUMF-ZJUUUORDSA-N 1 2 237.303 1.935 20 0 BDADLO CCO[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266168480 386405113 /nfs/dbraw/zinc/40/51/13/386405113.db2.gz YFYQDLGARIPARB-SECBINFHSA-N 1 2 233.271 1.698 20 0 BDADLO Cc1cc(N2CCC[C@@]2(C)CCCO)nc[nH+]1 ZINC000347449180 386406284 /nfs/dbraw/zinc/40/62/84/386406284.db2.gz NZSMXLFFEGGZJS-ZDUSSCGKSA-N 1 2 235.331 1.916 20 0 BDADLO CC[N@H+](CCOC)Cc1nc(C(C)(C)C)no1 ZINC000336707373 386410063 /nfs/dbraw/zinc/41/00/63/386410063.db2.gz ORFZZBYVKSFFEH-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO CC[N@@H+](CCOC)Cc1nc(C(C)(C)C)no1 ZINC000336707373 386410067 /nfs/dbraw/zinc/41/00/67/386410067.db2.gz ORFZZBYVKSFFEH-UHFFFAOYSA-N 1 2 241.335 1.835 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000290318032 386418903 /nfs/dbraw/zinc/41/89/03/386418903.db2.gz BGJHKRRGKIRFHZ-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000290318032 386418909 /nfs/dbraw/zinc/41/89/09/386418909.db2.gz BGJHKRRGKIRFHZ-VIFPVBQESA-N 1 2 249.236 1.217 20 0 BDADLO Cc1cc(C)n(CC[N@@H+](C)Cc2cc[nH]n2)n1 ZINC000336715191 386433131 /nfs/dbraw/zinc/43/31/31/386433131.db2.gz UKGHRLXPRLRITL-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO Cc1cc(C)n(CC[N@H+](C)Cc2cc[nH]n2)n1 ZINC000336715191 386433134 /nfs/dbraw/zinc/43/31/34/386433134.db2.gz UKGHRLXPRLRITL-UHFFFAOYSA-N 1 2 233.319 1.355 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339571161 386470738 /nfs/dbraw/zinc/47/07/38/386470738.db2.gz BSSVPTRIXDBPQM-GJMOJQLCSA-N 1 2 238.253 1.394 20 0 BDADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339571161 386470748 /nfs/dbraw/zinc/47/07/48/386470748.db2.gz BSSVPTRIXDBPQM-GJMOJQLCSA-N 1 2 238.253 1.394 20 0 BDADLO CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339572457 386471136 /nfs/dbraw/zinc/47/11/36/386471136.db2.gz VVEGLZVWQGQWPT-GHMZBOCLSA-N 1 2 222.336 1.774 20 0 BDADLO CC(C)Cn1ncnc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339572457 386471141 /nfs/dbraw/zinc/47/11/41/386471141.db2.gz VVEGLZVWQGQWPT-GHMZBOCLSA-N 1 2 222.336 1.774 20 0 BDADLO C[NH+](C)Cc1nc(CC2=CCCC2)no1 ZINC000277873699 386472184 /nfs/dbraw/zinc/47/21/84/386472184.db2.gz KMEHFYLZWLROBI-UHFFFAOYSA-N 1 2 207.277 1.784 20 0 BDADLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339574716 386472516 /nfs/dbraw/zinc/47/25/16/386472516.db2.gz BWRRJFBNKYONKD-NXEZZACHSA-N 1 2 222.336 1.837 20 0 BDADLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339574716 386472522 /nfs/dbraw/zinc/47/25/22/386472522.db2.gz BWRRJFBNKYONKD-NXEZZACHSA-N 1 2 222.336 1.837 20 0 BDADLO CC[C@@H](F)C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000336315928 386475118 /nfs/dbraw/zinc/47/51/18/386475118.db2.gz WVHVYRCXEMRTOL-SNVBAGLBSA-N 1 2 231.315 1.034 20 0 BDADLO CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000335428473 386482457 /nfs/dbraw/zinc/48/24/57/386482457.db2.gz YQWZKNIQAIKFMN-UHFFFAOYSA-N 1 2 207.277 1.198 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000456120876 386486083 /nfs/dbraw/zinc/48/60/83/386486083.db2.gz WHEXCVPSMLVTGP-ZJUUUORDSA-N 1 2 221.304 1.423 20 0 BDADLO CC[C@@H]1C[C@H]1CNC(=O)Cc1[nH+]c[nH]c1C ZINC000456120876 386486092 /nfs/dbraw/zinc/48/60/92/386486092.db2.gz WHEXCVPSMLVTGP-ZJUUUORDSA-N 1 2 221.304 1.423 20 0 BDADLO CCC1(C)C[NH+](Cc2cncnc2OC)C1 ZINC000648042793 386486422 /nfs/dbraw/zinc/48/64/22/386486422.db2.gz UHAYNZWISGKSTE-UHFFFAOYSA-N 1 2 221.304 1.717 20 0 BDADLO c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)[nH]n1 ZINC000187180462 386486517 /nfs/dbraw/zinc/48/65/17/386486517.db2.gz YCYCBDXVCJWPKR-GMTAPVOTSA-N 1 2 207.277 1.067 20 0 BDADLO O=C(/C=C/C1CC1)N1CCn2c[nH+]cc2C1 ZINC000290913594 386487056 /nfs/dbraw/zinc/48/70/56/386487056.db2.gz JIXOGQUXPSPBQD-ONEGZZNKSA-N 1 2 217.272 1.192 20 0 BDADLO C/C=C(\CC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290930004 386488576 /nfs/dbraw/zinc/48/85/76/386488576.db2.gz MEMYXNKAFVRSCI-XCVCLJGOSA-N 1 2 219.288 1.582 20 0 BDADLO O=C(c1cncc(F)c1)N1CCn2c[nH+]cc2C1 ZINC000290927306 386488679 /nfs/dbraw/zinc/48/86/79/386488679.db2.gz LRCJGYPKXXECKT-UHFFFAOYSA-N 1 2 246.245 1.073 20 0 BDADLO CC(C)C[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290931865 386489887 /nfs/dbraw/zinc/48/98/87/386489887.db2.gz MQUMOIASUZVDMH-NSHDSACASA-N 1 2 235.331 1.908 20 0 BDADLO CC(C)C[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278450499 386529242 /nfs/dbraw/zinc/52/92/42/386529242.db2.gz RPIHEVYHLZIPTL-QMMMGPOBSA-N 1 2 248.334 1.792 20 0 BDADLO Cn1cc[nH+]c1CN1CCOC[C@@H]1C1CCC1 ZINC000335433124 386492094 /nfs/dbraw/zinc/49/20/94/386492094.db2.gz KPLYUFJJCGXKHW-GFCCVEGCSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000335433124 386492098 /nfs/dbraw/zinc/49/20/98/386492098.db2.gz KPLYUFJJCGXKHW-GFCCVEGCSA-N 1 2 235.331 1.421 20 0 BDADLO Cn1ccnc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000335433124 386492103 /nfs/dbraw/zinc/49/21/03/386492103.db2.gz KPLYUFJJCGXKHW-GFCCVEGCSA-N 1 2 235.331 1.421 20 0 BDADLO CC[C@@H](C)CN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278141386 386494125 /nfs/dbraw/zinc/49/41/25/386494125.db2.gz ARNJKRPRLQSWEF-MRVPVSSYSA-N 1 2 248.334 1.428 20 0 BDADLO CCCc1nc(C[N@H+](CC)[C@H](C)CO)no1 ZINC000339630498 386498749 /nfs/dbraw/zinc/49/87/49/386498749.db2.gz PQOQEFFQNZRGKJ-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1nc(C[N@@H+](CC)[C@H](C)CO)no1 ZINC000339630498 386498754 /nfs/dbraw/zinc/49/87/54/386498754.db2.gz PQOQEFFQNZRGKJ-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CC(C)Cn1cc[nH+]c1CNc1cnccn1 ZINC000135304226 386499139 /nfs/dbraw/zinc/49/91/39/386499139.db2.gz JHWQNUIGXNPMRO-UHFFFAOYSA-N 1 2 231.303 1.941 20 0 BDADLO CCCc1noc(C[N@H+](CC)[C@H](C)CO)n1 ZINC000339629418 386500680 /nfs/dbraw/zinc/50/06/80/386500680.db2.gz SBWKXBKFCULQJE-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CCCc1noc(C[N@@H+](CC)[C@H](C)CO)n1 ZINC000339629418 386500685 /nfs/dbraw/zinc/50/06/85/386500685.db2.gz SBWKXBKFCULQJE-SECBINFHSA-N 1 2 227.308 1.225 20 0 BDADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366447594 386502846 /nfs/dbraw/zinc/50/28/46/386502846.db2.gz COPKAMWQIYKSRV-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366447594 386502852 /nfs/dbraw/zinc/50/28/52/386502852.db2.gz COPKAMWQIYKSRV-GHMZBOCLSA-N 1 2 241.331 1.581 20 0 BDADLO CCC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000267176773 386503782 /nfs/dbraw/zinc/50/37/82/386503782.db2.gz GCVKZRSPJODMFT-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO Fc1cccc(Cc2noc(C3CC[NH2+]C3)n2)c1 ZINC000062119694 386505046 /nfs/dbraw/zinc/50/50/46/386505046.db2.gz FZCILENQYIAGIP-SNVBAGLBSA-N 1 2 247.273 1.876 20 0 BDADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H](O)c1cccc(F)c1 ZINC000267202233 386508483 /nfs/dbraw/zinc/50/84/83/386508483.db2.gz OTCXHHHBZILVSA-NOZJJQNGSA-N 1 2 249.289 1.761 20 0 BDADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000519621009 386508749 /nfs/dbraw/zinc/50/87/49/386508749.db2.gz VUYKPDCOUHUNMP-ZJUUUORDSA-N 1 2 229.287 1.730 20 0 BDADLO Cc1ccc2[nH+]c(CNC(=O)C(F)F)cn2c1 ZINC000278450516 386529882 /nfs/dbraw/zinc/52/98/82/386529882.db2.gz MZVRQZSZGHFFMK-UHFFFAOYSA-N 1 2 239.225 1.524 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447202 386515148 /nfs/dbraw/zinc/51/51/48/386515148.db2.gz ABZQENZPWNNTMM-MNOVXSKESA-N 1 2 222.336 1.277 20 0 BDADLO COC(=O)[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000061589175 386523421 /nfs/dbraw/zinc/52/34/21/386523421.db2.gz CDDFEIJIXUFTMU-SFYZADRCSA-N 1 2 203.307 1.033 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC12CCC2 ZINC000335452557 386525752 /nfs/dbraw/zinc/52/57/52/386525752.db2.gz MLFLEVLIJBJMHX-UHFFFAOYSA-N 1 2 232.331 1.821 20 0 BDADLO Cn1nc(C2CC2)nc1C[N@H+]1CCC12CCC2 ZINC000335452557 386525758 /nfs/dbraw/zinc/52/57/58/386525758.db2.gz MLFLEVLIJBJMHX-UHFFFAOYSA-N 1 2 232.331 1.821 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C2CC2)C1 ZINC000366394805 386460566 /nfs/dbraw/zinc/46/05/66/386460566.db2.gz IQGQJLDHLMTEMD-GFCCVEGCSA-N 1 2 247.342 1.611 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCCC[C@H]2CO)nn1 ZINC000347662451 386460622 /nfs/dbraw/zinc/46/06/22/386460622.db2.gz BAUGNNKIRBHFJX-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCCC[C@H]2CO)nn1 ZINC000347662451 386460626 /nfs/dbraw/zinc/46/06/26/386460626.db2.gz BAUGNNKIRBHFJX-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](C2CC2)C1 ZINC000366405542 386464665 /nfs/dbraw/zinc/46/46/65/386464665.db2.gz YRJUYMUHGTXPKU-NSHDSACASA-N 1 2 233.315 1.601 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](C2CC2)C1 ZINC000366405542 386464669 /nfs/dbraw/zinc/46/46/69/386464669.db2.gz YRJUYMUHGTXPKU-NSHDSACASA-N 1 2 233.315 1.601 20 0 BDADLO Cc1c[nH]c(=NCC[N@H+]2CCOC[C@H]2C)s1 ZINC000336778594 386465945 /nfs/dbraw/zinc/46/59/45/386465945.db2.gz LSXBPCHXKRYMQU-SECBINFHSA-N 1 2 241.360 1.006 20 0 BDADLO Cc1c[nH]c(=NCC[N@@H+]2CCOC[C@H]2C)s1 ZINC000336778594 386465947 /nfs/dbraw/zinc/46/59/47/386465947.db2.gz LSXBPCHXKRYMQU-SECBINFHSA-N 1 2 241.360 1.006 20 0 BDADLO Cc1cc(C[N@H+](C)CCc2noc(C)n2)no1 ZINC000299555217 386465877 /nfs/dbraw/zinc/46/58/77/386465877.db2.gz DDKIMHPGDOXACW-UHFFFAOYSA-N 1 2 236.275 1.349 20 0 BDADLO Cc1cc(C[N@@H+](C)CCc2noc(C)n2)no1 ZINC000299555217 386465882 /nfs/dbraw/zinc/46/58/82/386465882.db2.gz DDKIMHPGDOXACW-UHFFFAOYSA-N 1 2 236.275 1.349 20 0 BDADLO CCOCC[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000336757309 386583956 /nfs/dbraw/zinc/58/39/56/386583956.db2.gz JDKHHDSZGHQZIQ-NXEZZACHSA-N 1 2 217.309 1.200 20 0 BDADLO C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccon1 ZINC000267861127 386592737 /nfs/dbraw/zinc/59/27/37/386592737.db2.gz AIDOJEUJXPEHGQ-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccon1 ZINC000267861127 386592742 /nfs/dbraw/zinc/59/27/42/386592742.db2.gz AIDOJEUJXPEHGQ-SECBINFHSA-N 1 2 224.260 1.060 20 0 BDADLO C[N@H+](CC[C@H]1CCOC1=O)Cc1ccon1 ZINC000267861129 386592756 /nfs/dbraw/zinc/59/27/56/386592756.db2.gz AIDOJEUJXPEHGQ-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccon1 ZINC000267861129 386592764 /nfs/dbraw/zinc/59/27/64/386592764.db2.gz AIDOJEUJXPEHGQ-VIFPVBQESA-N 1 2 224.260 1.060 20 0 BDADLO Nc1ccc(NC(=O)C2CCCC2)c[nH+]1 ZINC000061680489 386531786 /nfs/dbraw/zinc/53/17/86/386531786.db2.gz NBBGJCGNGYCRBV-UHFFFAOYSA-N 1 2 205.261 1.793 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335461019 386543153 /nfs/dbraw/zinc/54/31/53/386543153.db2.gz DDXWNVDQMCEIMN-ZJUUUORDSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335461019 386543158 /nfs/dbraw/zinc/54/31/58/386543158.db2.gz DDXWNVDQMCEIMN-ZJUUUORDSA-N 1 2 227.304 1.191 20 0 BDADLO CC(C)c1nc(N(C)CCOCCO)cc[nH+]1 ZINC000336901561 386543595 /nfs/dbraw/zinc/54/35/95/386543595.db2.gz QVGKGEUXKXLIFL-UHFFFAOYSA-N 1 2 239.319 1.045 20 0 BDADLO CC(=O)CC(C)(C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000336900201 386546022 /nfs/dbraw/zinc/54/60/22/386546022.db2.gz BHPLTQWHXOGQFV-UHFFFAOYSA-N 1 2 237.303 1.421 20 0 BDADLO CC(=O)CC(C)(C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000336900201 386546027 /nfs/dbraw/zinc/54/60/27/386546027.db2.gz BHPLTQWHXOGQFV-UHFFFAOYSA-N 1 2 237.303 1.421 20 0 BDADLO C[C@H]1CN(Cc2[nH+]ccn2C)CC2(CCC2)O1 ZINC000335463303 386548853 /nfs/dbraw/zinc/54/88/53/386548853.db2.gz QEQQSOCYMSYYNN-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C)CC2(CCC2)O1 ZINC000335463303 386548856 /nfs/dbraw/zinc/54/88/56/386548856.db2.gz QEQQSOCYMSYYNN-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C)CC2(CCC2)O1 ZINC000335463303 386548861 /nfs/dbraw/zinc/54/88/61/386548861.db2.gz QEQQSOCYMSYYNN-NSHDSACASA-N 1 2 235.331 1.564 20 0 BDADLO Cc1ccnc(NCCn2cc[nH+]c2)n1 ZINC000061859196 386549765 /nfs/dbraw/zinc/54/97/65/386549765.db2.gz LWECVZJKJVTXJG-UHFFFAOYSA-N 1 2 203.249 1.094 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](F)C2)cn1 ZINC000335467202 386555368 /nfs/dbraw/zinc/55/53/68/386555368.db2.gz CGDRMFQUNAFDMP-UWVGGRQHSA-N 1 2 209.268 1.890 20 0 BDADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](F)C2)cn1 ZINC000335467202 386555375 /nfs/dbraw/zinc/55/53/75/386555375.db2.gz CGDRMFQUNAFDMP-UWVGGRQHSA-N 1 2 209.268 1.890 20 0 BDADLO C[C@@H](O)CN(Cc1c[nH+]cn1C)c1ccccc1 ZINC000267587942 386556830 /nfs/dbraw/zinc/55/68/30/386556830.db2.gz IDKQGVBKZHBMBB-GFCCVEGCSA-N 1 2 245.326 1.808 20 0 BDADLO CC(C)n1cnc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000336936710 386558364 /nfs/dbraw/zinc/55/83/64/386558364.db2.gz UYDOFIJXPFVVEK-UHFFFAOYSA-N 1 2 246.270 1.239 20 0 BDADLO Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](F)C3)cnc2n1 ZINC000335406831 386565368 /nfs/dbraw/zinc/56/53/68/386565368.db2.gz PPGUMQSNOMEDAE-LLVKDONJSA-N 1 2 248.305 1.890 20 0 BDADLO Cc1cc(C)n2c(C[N@H+]3CC[C@@H](F)C3)cnc2n1 ZINC000335406831 386565374 /nfs/dbraw/zinc/56/53/74/386565374.db2.gz PPGUMQSNOMEDAE-LLVKDONJSA-N 1 2 248.305 1.890 20 0 BDADLO Cn1cncc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000267654501 386568310 /nfs/dbraw/zinc/56/83/10/386568310.db2.gz YNELTWQZLOAPTF-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1cncc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000267654501 386568317 /nfs/dbraw/zinc/56/83/17/386568317.db2.gz YNELTWQZLOAPTF-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000267654501 386568321 /nfs/dbraw/zinc/56/83/21/386568321.db2.gz YNELTWQZLOAPTF-NWDGAFQWSA-N 1 2 221.304 1.173 20 0 BDADLO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccon1 ZINC000336782131 386622007 /nfs/dbraw/zinc/62/20/07/386622007.db2.gz WSRZQNHENUVXLT-VIFPVBQESA-N 1 2 220.276 1.567 20 0 BDADLO Cc1cnc(SCc2[nH+]ccn2C)[nH]c1=O ZINC000520254147 386622057 /nfs/dbraw/zinc/62/20/57/386622057.db2.gz MCOCUFVPKLINSK-UHFFFAOYSA-N 1 2 236.300 1.516 20 0 BDADLO CSC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353191346 386623160 /nfs/dbraw/zinc/62/31/60/386623160.db2.gz JUIONTNOARZQFW-YUMQZZPRSA-N 1 2 225.304 1.440 20 0 BDADLO CSC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353191346 386623166 /nfs/dbraw/zinc/62/31/66/386623166.db2.gz JUIONTNOARZQFW-YUMQZZPRSA-N 1 2 225.304 1.440 20 0 BDADLO CCC1CCC([NH2+]C[C@@H](C)O)(C(=O)OC)CC1 ZINC000337182774 386655616 /nfs/dbraw/zinc/65/56/16/386655616.db2.gz NFFVFBZLWUSBBC-XSRFYTQQSA-N 1 2 243.347 1.469 20 0 BDADLO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](C)OC ZINC000190744479 386632276 /nfs/dbraw/zinc/63/22/76/386632276.db2.gz JFHLLQHKFWEAAR-QWRGUYRKSA-N 1 2 231.336 1.589 20 0 BDADLO Cc1ccc(O)c(C[N@H+]2CCO[C@H](CF)C2)n1 ZINC000414468572 386633092 /nfs/dbraw/zinc/63/30/92/386633092.db2.gz GQMKRNUVESADHT-SNVBAGLBSA-N 1 2 240.278 1.266 20 0 BDADLO Cc1cc(N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)nc[nH+]1 ZINC000450713244 386633792 /nfs/dbraw/zinc/63/37/92/386633792.db2.gz WPRUKBUFPFEPIL-XQQFMLRXSA-N 1 2 247.342 1.915 20 0 BDADLO CC(C)[C@H](C)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268246152 386633800 /nfs/dbraw/zinc/63/38/00/386633800.db2.gz YMCIIPRVCJJSER-VIFPVBQESA-N 1 2 230.333 1.379 20 0 BDADLO CCC1(C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000268248481 386633988 /nfs/dbraw/zinc/63/39/88/386633988.db2.gz BIZGAEBCQONCOZ-UHFFFAOYSA-N 1 2 235.331 1.970 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nn(C)cc1Cl ZINC000335504476 386635037 /nfs/dbraw/zinc/63/50/37/386635037.db2.gz UFAOYHQZFFOXES-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nn(C)cc1Cl ZINC000335504476 386635045 /nfs/dbraw/zinc/63/50/45/386635045.db2.gz UFAOYHQZFFOXES-IUCAKERBSA-N 1 2 243.738 1.276 20 0 BDADLO Cc1nnc(C[N@H+]2CC[C@@H](OCC(C)C)C2)o1 ZINC000119609904 386636390 /nfs/dbraw/zinc/63/63/90/386636390.db2.gz YFKNKGUHBOBILJ-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nnc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)o1 ZINC000119609904 386636398 /nfs/dbraw/zinc/63/63/98/386636398.db2.gz YFKNKGUHBOBILJ-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO COC(=O)C[N@H+](C)CCN1CCc2ccccc21 ZINC000292240753 386637416 /nfs/dbraw/zinc/63/74/16/386637416.db2.gz SSASMNOPQAGVCC-UHFFFAOYSA-N 1 2 248.326 1.154 20 0 BDADLO COC(=O)C[N@@H+](C)CCN1CCc2ccccc21 ZINC000292240753 386637425 /nfs/dbraw/zinc/63/74/25/386637425.db2.gz SSASMNOPQAGVCC-UHFFFAOYSA-N 1 2 248.326 1.154 20 0 BDADLO CC(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000265161357 386638182 /nfs/dbraw/zinc/63/81/82/386638182.db2.gz JXRQUPZEZOWGND-UHFFFAOYSA-N 1 2 221.304 1.656 20 0 BDADLO Cc1csc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000279121996 386638348 /nfs/dbraw/zinc/63/83/48/386638348.db2.gz CYDLSNBKJIYZKI-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO Cc1cccc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000279150416 386639854 /nfs/dbraw/zinc/63/98/54/386639854.db2.gz HFYUFSZVKXJTQJ-UHFFFAOYSA-N 1 2 243.310 1.967 20 0 BDADLO C[C@@H]1C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279175648 386644086 /nfs/dbraw/zinc/64/40/86/386644086.db2.gz JROYZDJFOYJRME-BDAKNGLRSA-N 1 2 207.277 1.115 20 0 BDADLO Cc1ccc(C[NH+]2CC(O)(C(F)F)C2)cc1 ZINC000335511734 386646428 /nfs/dbraw/zinc/64/64/28/386646428.db2.gz HTOUFPKRESWSJJ-UHFFFAOYSA-N 1 2 227.254 1.807 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000328930588 386654276 /nfs/dbraw/zinc/65/42/76/386654276.db2.gz HNSXDWJOBBORCR-YTWAJWBKSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000328930588 386654279 /nfs/dbraw/zinc/65/42/79/386654279.db2.gz HNSXDWJOBBORCR-YTWAJWBKSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000328930588 386654283 /nfs/dbraw/zinc/65/42/83/386654283.db2.gz HNSXDWJOBBORCR-YTWAJWBKSA-N 1 2 236.319 1.223 20 0 BDADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000328930588 386654287 /nfs/dbraw/zinc/65/42/87/386654287.db2.gz HNSXDWJOBBORCR-YTWAJWBKSA-N 1 2 236.319 1.223 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC(C)(C(N)=O)C1 ZINC000335424863 386600246 /nfs/dbraw/zinc/60/02/46/386600246.db2.gz RKUDBGIRCLMFFD-UHFFFAOYSA-N 1 2 208.265 1.075 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000335424863 386600249 /nfs/dbraw/zinc/60/02/49/386600249.db2.gz RKUDBGIRCLMFFD-UHFFFAOYSA-N 1 2 208.265 1.075 20 0 BDADLO CCCCNC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000267967214 386603376 /nfs/dbraw/zinc/60/33/76/386603376.db2.gz UNSGVWXHBWYRTN-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO CCCCNC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000267967214 386603381 /nfs/dbraw/zinc/60/33/81/386603381.db2.gz UNSGVWXHBWYRTN-UHFFFAOYSA-N 1 2 249.358 1.820 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCCC[C@H](C)O ZINC000278901960 386604158 /nfs/dbraw/zinc/60/41/58/386604158.db2.gz VAFCMPKLCVFKCX-JTQLQIEISA-N 1 2 237.303 1.673 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nn(C)cc1Cl ZINC000335494530 386616883 /nfs/dbraw/zinc/61/68/83/386616883.db2.gz KMNKOSQRPJGTNH-JGVFFNPUSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nn(C)cc1Cl ZINC000335494530 386616887 /nfs/dbraw/zinc/61/68/87/386616887.db2.gz KMNKOSQRPJGTNH-JGVFFNPUSA-N 1 2 229.711 1.029 20 0 BDADLO CCSCC[NH2+][C@](C)(CC)C(=O)OC ZINC000336647479 386660892 /nfs/dbraw/zinc/66/08/92/386660892.db2.gz FIGQHZSRZZELRL-SNVBAGLBSA-N 1 2 219.350 1.671 20 0 BDADLO Cc1ccc(Cc2nc([C@H]3CCOC3)no2)c[nH+]1 ZINC000120478193 386661537 /nfs/dbraw/zinc/66/15/37/386661537.db2.gz UKSWZUWYVHKCRL-NSHDSACASA-N 1 2 245.282 1.868 20 0 BDADLO CCN(C[C@H](C)OC)c1cc[nH+]c(C)n1 ZINC000292394142 386662723 /nfs/dbraw/zinc/66/27/23/386662723.db2.gz RCFMEGYYHCDCSB-VIFPVBQESA-N 1 2 209.293 1.646 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000292398742 386663335 /nfs/dbraw/zinc/66/33/35/386663335.db2.gz SZCBGLYTIFUPHI-SNVBAGLBSA-N 1 2 236.315 1.687 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000292398742 386663338 /nfs/dbraw/zinc/66/33/38/386663338.db2.gz SZCBGLYTIFUPHI-SNVBAGLBSA-N 1 2 236.315 1.687 20 0 BDADLO CCN(C[C@H](C)OC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000292403974 386666316 /nfs/dbraw/zinc/66/63/16/386666316.db2.gz ZAVJEWRVGIKEQE-PORFMDCZSA-N 1 2 237.303 1.306 20 0 BDADLO C[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2O)CCC1=O ZINC000328997054 386667030 /nfs/dbraw/zinc/66/70/30/386667030.db2.gz UQHXBZCLHSHTTI-RKDXNWHRSA-N 1 2 248.282 1.153 20 0 BDADLO CC(C)(C)n1cc(C[NH2+]C(C)(C)CF)nn1 ZINC000336647252 386667278 /nfs/dbraw/zinc/66/72/78/386667278.db2.gz BSSYDSFWVSIKJO-UHFFFAOYSA-N 1 2 228.315 1.871 20 0 BDADLO CC(C)N(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000279351695 386671802 /nfs/dbraw/zinc/67/18/02/386671802.db2.gz FJWKZMPPSQWSGB-UHFFFAOYSA-N 1 2 221.304 1.742 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292445355 386672799 /nfs/dbraw/zinc/67/27/99/386672799.db2.gz OWVMIWXQIWAZOX-MNOVXSKESA-N 1 2 249.310 1.831 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292445355 386672806 /nfs/dbraw/zinc/67/28/06/386672806.db2.gz OWVMIWXQIWAZOX-MNOVXSKESA-N 1 2 249.310 1.831 20 0 BDADLO C[C@@H](C[N@H+](C)Cc1ccoc1)CS(C)(=O)=O ZINC000330363494 386675321 /nfs/dbraw/zinc/67/53/21/386675321.db2.gz HXHMJXOFNFVTNU-JTQLQIEISA-N 1 2 245.344 1.392 20 0 BDADLO C[C@@H](C[N@@H+](C)Cc1ccoc1)CS(C)(=O)=O ZINC000330363494 386675326 /nfs/dbraw/zinc/67/53/26/386675326.db2.gz HXHMJXOFNFVTNU-JTQLQIEISA-N 1 2 245.344 1.392 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1=CCCC1 ZINC000336545648 386678524 /nfs/dbraw/zinc/67/85/24/386678524.db2.gz RPFFWELPIRWKJK-UHFFFAOYSA-N 1 2 205.261 1.147 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)CN1CCCC1=O ZINC000335531578 386679820 /nfs/dbraw/zinc/67/98/20/386679820.db2.gz TWUBBTMPNVVBOF-UHFFFAOYSA-N 1 2 247.298 1.259 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)[nH]1 ZINC000292526961 386684574 /nfs/dbraw/zinc/68/45/74/386684574.db2.gz OSJKLHXTRMPNKB-NSHDSACASA-N 1 2 231.303 1.778 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)[nH]1 ZINC000292526961 386684576 /nfs/dbraw/zinc/68/45/76/386684576.db2.gz OSJKLHXTRMPNKB-NSHDSACASA-N 1 2 231.303 1.778 20 0 BDADLO CCN(CC(F)F)c1[nH+]cnc2c1cnn2C ZINC000182587566 386685281 /nfs/dbraw/zinc/68/52/81/386685281.db2.gz UXCACWUALPWEDU-UHFFFAOYSA-N 1 2 241.245 1.455 20 0 BDADLO CCCCc1noc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000042623572 386686466 /nfs/dbraw/zinc/68/64/66/386686466.db2.gz KXLRIEFDUFZHIR-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO CCCCc1noc(C[N@H+]2CCC[C@H](O)C2)n1 ZINC000042623572 386686472 /nfs/dbraw/zinc/68/64/72/386686472.db2.gz KXLRIEFDUFZHIR-JTQLQIEISA-N 1 2 239.319 1.369 20 0 BDADLO Cc1ccoc1CN(C)C(=O)CCn1cc[nH+]c1 ZINC000292527016 386686679 /nfs/dbraw/zinc/68/66/79/386686679.db2.gz JZPDLIWURACTEL-UHFFFAOYSA-N 1 2 247.298 1.833 20 0 BDADLO CCc1nocc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000647956331 386687766 /nfs/dbraw/zinc/68/77/66/386687766.db2.gz JNTSUBJHUTVLNQ-VHSXEESVSA-N 1 2 224.304 1.846 20 0 BDADLO CCc1nocc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000647956331 386687772 /nfs/dbraw/zinc/68/77/72/386687772.db2.gz JNTSUBJHUTVLNQ-VHSXEESVSA-N 1 2 224.304 1.846 20 0 BDADLO Cc1cc(=NCc2cn3cc(C)ccc3[nH+]2)[nH]o1 ZINC000340689420 386693735 /nfs/dbraw/zinc/69/37/35/386693735.db2.gz NWQSHODVJJZKMQ-UHFFFAOYSA-N 1 2 242.282 1.973 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)NCCC1(C)CC1 ZINC000279521111 386694421 /nfs/dbraw/zinc/69/44/21/386694421.db2.gz LUCFTUWEFIZYGS-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO Cc1cncc(C[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000391932552 386694503 /nfs/dbraw/zinc/69/45/03/386694503.db2.gz ZEUJEEYIKULQQE-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1conc1C1CC1 ZINC000329525068 386695188 /nfs/dbraw/zinc/69/51/88/386695188.db2.gz QUPYEYOAAPFXAV-UHFFFAOYSA-N 1 2 246.270 1.547 20 0 BDADLO Cn1cc(C[NH2+]Cc2ncnn2C(C)(C)C)cn1 ZINC000337299299 386696775 /nfs/dbraw/zinc/69/67/75/386696775.db2.gz QNCIFXPMJDZIKI-UHFFFAOYSA-N 1 2 248.334 1.056 20 0 BDADLO CCOC1CC([NH2+][C@H](CC2CC2)C(=O)OC)C1 ZINC000414484006 386698234 /nfs/dbraw/zinc/69/82/34/386698234.db2.gz GDRRWSWNVAWDRY-HTAVTVPLSA-N 1 2 241.331 1.485 20 0 BDADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCOC1 ZINC000292657252 386703578 /nfs/dbraw/zinc/70/35/78/386703578.db2.gz BQOYFWVPARBOHO-PCAWENJQSA-N 1 2 249.314 1.449 20 0 BDADLO CC(C)OCC(C)(C)[NH2+]Cc1ccn[nH]1 ZINC000396371349 386731135 /nfs/dbraw/zinc/73/11/35/386731135.db2.gz QYRUKGXJKKCASM-UHFFFAOYSA-N 1 2 211.309 1.703 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)C1CC2(CCC2)C1 ZINC000335545975 386731612 /nfs/dbraw/zinc/73/16/12/386731612.db2.gz UFKAVLXXYWMPAB-UHFFFAOYSA-N 1 2 219.288 1.606 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)C1CC2(CCC2)C1 ZINC000335545975 386731623 /nfs/dbraw/zinc/73/16/23/386731623.db2.gz UFKAVLXXYWMPAB-UHFFFAOYSA-N 1 2 219.288 1.606 20 0 BDADLO Cn1ccnc1C[N@H+](C)CCOC(C)(C)C ZINC000268991149 386733820 /nfs/dbraw/zinc/73/38/20/386733820.db2.gz VYQHWQLVRNXLMH-UHFFFAOYSA-N 1 2 225.336 1.667 20 0 BDADLO Cn1ccnc1C[N@@H+](C)CCOC(C)(C)C ZINC000268991149 386733826 /nfs/dbraw/zinc/73/38/26/386733826.db2.gz VYQHWQLVRNXLMH-UHFFFAOYSA-N 1 2 225.336 1.667 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1nccs1 ZINC000302907238 386734943 /nfs/dbraw/zinc/73/49/43/386734943.db2.gz HFXYTLALWGAXJY-DTWKUNHWSA-N 1 2 241.360 1.536 20 0 BDADLO C[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CCC1 ZINC000457448905 386735039 /nfs/dbraw/zinc/73/50/39/386735039.db2.gz XQKADWNTTIUORY-WDEREUQCSA-N 1 2 235.331 1.824 20 0 BDADLO CN(CCCn1cc[nH+]c1)c1ncccc1F ZINC000269002245 386736343 /nfs/dbraw/zinc/73/63/43/386736343.db2.gz YLQIRFMIENKCFX-UHFFFAOYSA-N 1 2 234.278 1.944 20 0 BDADLO C[N@H+](Cc1ccno1)Cc1cccnc1 ZINC000269023160 386738278 /nfs/dbraw/zinc/73/82/78/386738278.db2.gz QRUKOJXOJPPKMZ-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO C[N@@H+](Cc1ccno1)Cc1cccnc1 ZINC000269023160 386738282 /nfs/dbraw/zinc/73/82/82/386738282.db2.gz QRUKOJXOJPPKMZ-UHFFFAOYSA-N 1 2 203.245 1.702 20 0 BDADLO CC(C)[N@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000330442173 386738674 /nfs/dbraw/zinc/73/86/74/386738674.db2.gz SRTXDAIZMBBEHN-UHFFFAOYSA-N 1 2 240.351 1.236 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1ncnn1C(C)(C)C ZINC000330442173 386738677 /nfs/dbraw/zinc/73/86/77/386738677.db2.gz SRTXDAIZMBBEHN-UHFFFAOYSA-N 1 2 240.351 1.236 20 0 BDADLO COC(=O)C[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268967847 386728640 /nfs/dbraw/zinc/72/86/40/386728640.db2.gz LMYBPVVQEFIGNO-VXGBXAGGSA-N 1 2 219.284 1.647 20 0 BDADLO COC(=O)C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268967847 386728644 /nfs/dbraw/zinc/72/86/44/386728644.db2.gz LMYBPVVQEFIGNO-VXGBXAGGSA-N 1 2 219.284 1.647 20 0 BDADLO Cc1cnc(C[NH2+]C2(C(N)=O)CCCCC2)nc1 ZINC000340701351 386746386 /nfs/dbraw/zinc/74/63/86/386746386.db2.gz NLDUUSSOJGMTQS-UHFFFAOYSA-N 1 2 248.330 1.063 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000334152823 386751717 /nfs/dbraw/zinc/75/17/17/386751717.db2.gz MYAWWZARWIJLDT-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000334152823 386751723 /nfs/dbraw/zinc/75/17/23/386751723.db2.gz MYAWWZARWIJLDT-WCQYABFASA-N 1 2 235.331 1.719 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@@H]2CCCO2)n1 ZINC000329640313 386753038 /nfs/dbraw/zinc/75/30/38/386753038.db2.gz ZSIUPGWFUIGLRX-VIFPVBQESA-N 1 2 234.259 1.245 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCCCC1 ZINC000340739878 386759537 /nfs/dbraw/zinc/75/95/37/386759537.db2.gz HLKKIYYATSZJNV-UHFFFAOYSA-N 1 2 224.308 1.522 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCCCC1 ZINC000340739878 386759542 /nfs/dbraw/zinc/75/95/42/386759542.db2.gz HLKKIYYATSZJNV-UHFFFAOYSA-N 1 2 224.308 1.522 20 0 BDADLO C[C@@H]1CSCCN1c1nc[nH+]c(N)c1Cl ZINC000192316954 386762626 /nfs/dbraw/zinc/76/26/26/386762626.db2.gz JYPYUJDFOUMWGJ-ZCFIWIBFSA-N 1 2 244.751 1.654 20 0 BDADLO C[C@@H]1CSCCN1c1[nH+]cnc(N)c1Cl ZINC000192316954 386762632 /nfs/dbraw/zinc/76/26/32/386762632.db2.gz JYPYUJDFOUMWGJ-ZCFIWIBFSA-N 1 2 244.751 1.654 20 0 BDADLO CCC[C@H](CC)S(=O)(=O)Cc1c[nH+]cn1C ZINC000279980091 386762668 /nfs/dbraw/zinc/76/26/68/386762668.db2.gz KPILJJFSQZCACD-NSHDSACASA-N 1 2 244.360 1.914 20 0 BDADLO CC(C)n1cc(C[NH2+]C(C)(C)CF)nn1 ZINC000336760895 386762921 /nfs/dbraw/zinc/76/29/21/386762921.db2.gz MNZDBNNSBCMIBV-UHFFFAOYSA-N 1 2 214.288 1.697 20 0 BDADLO COc1cc[nH+]cc1NCc1cocn1 ZINC000192334521 386765508 /nfs/dbraw/zinc/76/55/08/386765508.db2.gz ACJATVIOPIERIX-UHFFFAOYSA-N 1 2 205.217 1.690 20 0 BDADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cn[nH]c2)[nH]1 ZINC000293034752 386767598 /nfs/dbraw/zinc/76/75/98/386767598.db2.gz DMNPDDMJTDWCHG-QMMMGPOBSA-N 1 2 234.307 1.502 20 0 BDADLO c1cnc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000648067163 386768432 /nfs/dbraw/zinc/76/84/32/386768432.db2.gz JOQMQLAPNMRCKD-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO c1cnc(C[N@H+]2CCOC[C@@H]2C2CCC2)cn1 ZINC000648067163 386768436 /nfs/dbraw/zinc/76/84/36/386768436.db2.gz JOQMQLAPNMRCKD-CYBMUJFWSA-N 1 2 233.315 1.478 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1ccccn1 ZINC000426481790 386742606 /nfs/dbraw/zinc/74/26/06/386742606.db2.gz BMGDXOOMBRUYBZ-SNVBAGLBSA-N 1 2 244.298 1.235 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000125323433 386793094 /nfs/dbraw/zinc/79/30/94/386793094.db2.gz XOCZNPHODSGPCB-IUCAKERBSA-N 1 2 223.276 1.156 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000330576227 386793736 /nfs/dbraw/zinc/79/37/36/386793736.db2.gz MUIRTQZSXYRESG-JTQLQIEISA-N 1 2 220.276 1.285 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000330576227 386793744 /nfs/dbraw/zinc/79/37/44/386793744.db2.gz MUIRTQZSXYRESG-JTQLQIEISA-N 1 2 220.276 1.285 20 0 BDADLO C[NH2+]Cc1noc(CO[C@@H]2CCCC[C@@H]2C)n1 ZINC000414507105 386793767 /nfs/dbraw/zinc/79/37/67/386793767.db2.gz XTUMEDIIPRVING-VHSXEESVSA-N 1 2 239.319 1.884 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1F ZINC000340782333 386772125 /nfs/dbraw/zinc/77/21/25/386772125.db2.gz NEFDQAXDBYWZMI-IUCAKERBSA-N 1 2 225.267 1.349 20 0 BDADLO Cc1nc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)no1 ZINC000191178913 386772798 /nfs/dbraw/zinc/77/27/98/386772798.db2.gz FGNTXPWFNAEZIW-YUMQZZPRSA-N 1 2 225.292 1.112 20 0 BDADLO CCC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000525179911 259696575 /nfs/dbraw/zinc/69/65/75/259696575.db2.gz DNDVJDHNZJKCLQ-UHFFFAOYSA-N 1 2 248.330 1.234 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](C)O)o1 ZINC000248768478 386796208 /nfs/dbraw/zinc/79/62/08/386796208.db2.gz SEFZXDTZBFEIBS-ONGXEEELSA-N 1 2 225.288 1.342 20 0 BDADLO Cc1nnc(C[N@H+](C)CCc2nccs2)[nH]1 ZINC000293079098 386773279 /nfs/dbraw/zinc/77/32/79/386773279.db2.gz HQAAPBMTHCMOEE-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCc2nccs2)[nH]1 ZINC000293079098 386773282 /nfs/dbraw/zinc/77/32/82/386773282.db2.gz HQAAPBMTHCMOEE-UHFFFAOYSA-N 1 2 237.332 1.244 20 0 BDADLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](C)O)o1 ZINC000248768478 386796214 /nfs/dbraw/zinc/79/62/14/386796214.db2.gz SEFZXDTZBFEIBS-ONGXEEELSA-N 1 2 225.288 1.342 20 0 BDADLO COc1ccsc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000344820517 386778946 /nfs/dbraw/zinc/77/89/46/386778946.db2.gz CXOUWULBHPKORY-BDAKNGLRSA-N 1 2 245.319 1.661 20 0 BDADLO COc1ccsc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000344820517 386778952 /nfs/dbraw/zinc/77/89/52/386778952.db2.gz CXOUWULBHPKORY-BDAKNGLRSA-N 1 2 245.319 1.661 20 0 BDADLO CC[C@](C)([NH2+]CCc1ccncc1)C(=O)OC ZINC000293131652 386781775 /nfs/dbraw/zinc/78/17/75/386781775.db2.gz LGWGHZSXBAMNAU-ZDUSSCGKSA-N 1 2 236.315 1.555 20 0 BDADLO C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248656136 386787268 /nfs/dbraw/zinc/78/72/68/386787268.db2.gz RDGLFUFPOUMTQU-GXSJLCMTSA-N 1 2 227.329 1.502 20 0 BDADLO C[C@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248656136 386787275 /nfs/dbraw/zinc/78/72/75/386787275.db2.gz RDGLFUFPOUMTQU-GXSJLCMTSA-N 1 2 227.329 1.502 20 0 BDADLO COC[C@@H]1CC[N@@H+]1Cc1nc(C)c(C)s1 ZINC000293453792 386819953 /nfs/dbraw/zinc/81/99/53/386819953.db2.gz CTMQAHCTNRNTJV-JTQLQIEISA-N 1 2 226.345 1.981 20 0 BDADLO COC[C@@H]1CC[N@H+]1Cc1nc(C)c(C)s1 ZINC000293453792 386819956 /nfs/dbraw/zinc/81/99/56/386819956.db2.gz CTMQAHCTNRNTJV-JTQLQIEISA-N 1 2 226.345 1.981 20 0 BDADLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(F)F ZINC000293467930 386822668 /nfs/dbraw/zinc/82/26/68/386822668.db2.gz UPMYGRBWRQRIRP-UHFFFAOYSA-N 1 2 231.246 1.387 20 0 BDADLO Cn1c[nH+]cc1Cc1noc([C@H]2CCCCO2)n1 ZINC000329736283 386797614 /nfs/dbraw/zinc/79/76/14/386797614.db2.gz SKPBUFNGZFKLNZ-SNVBAGLBSA-N 1 2 248.286 1.636 20 0 BDADLO Cn1nnc(C[N@H+](CC2CCCCC2)C2CC2)n1 ZINC000192970788 386802385 /nfs/dbraw/zinc/80/23/85/386802385.db2.gz BQXLIJWFBJPUKC-UHFFFAOYSA-N 1 2 249.362 1.755 20 0 BDADLO Cn1nnc(C[N@@H+](CC2CCCCC2)C2CC2)n1 ZINC000192970788 386802390 /nfs/dbraw/zinc/80/23/90/386802390.db2.gz BQXLIJWFBJPUKC-UHFFFAOYSA-N 1 2 249.362 1.755 20 0 BDADLO CCC1(C)CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340945485 386806366 /nfs/dbraw/zinc/80/63/66/386806366.db2.gz CWNQBVXGMVTJCL-UHFFFAOYSA-N 1 2 224.308 1.522 20 0 BDADLO C[C@H]1OCC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000330638697 386808636 /nfs/dbraw/zinc/80/86/36/386808636.db2.gz VZXXSSWBQWRHLF-MNOVXSKESA-N 1 2 249.314 1.035 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@H]2CC[C@@H](C)O2)no1 ZINC000248967949 386810466 /nfs/dbraw/zinc/81/04/66/386810466.db2.gz RJLNHENAKBFHOT-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@H]2CC[C@@H](C)O2)no1 ZINC000248967949 386810473 /nfs/dbraw/zinc/81/04/73/386810473.db2.gz RJLNHENAKBFHOT-BXKDBHETSA-N 1 2 224.304 1.982 20 0 BDADLO Cn1c[nH+]cc1CN=c1[nH]c2cc(F)ccc2o1 ZINC000357596927 386811009 /nfs/dbraw/zinc/81/10/09/386811009.db2.gz OYNDOLFOIRZICQ-UHFFFAOYSA-N 1 2 246.245 1.734 20 0 BDADLO Cn1cc(C[N@H+](C)CC(N)=O)c(C(C)(C)C)n1 ZINC000330656449 386812591 /nfs/dbraw/zinc/81/25/91/386812591.db2.gz LKJULNJAMRTAAR-UHFFFAOYSA-N 1 2 238.335 1.685 20 0 BDADLO Cn1cc(C[N@@H+](C)CC(N)=O)c(C(C)(C)C)n1 ZINC000330656449 386812596 /nfs/dbraw/zinc/81/25/96/386812596.db2.gz LKJULNJAMRTAAR-UHFFFAOYSA-N 1 2 238.335 1.685 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1ncn(C)n1 ZINC000330651398 386812944 /nfs/dbraw/zinc/81/29/44/386812944.db2.gz KKTYOVMWVRXDDN-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO Cc1c[nH+]c(CN[C@H](C)c2cccnc2)n1C ZINC000341004717 386814653 /nfs/dbraw/zinc/81/46/53/386814653.db2.gz ADTZEQIGMJFTPL-LLVKDONJSA-N 1 2 230.315 1.974 20 0 BDADLO Cc1nnc(C[NH2+][C@H](C(N)=O)C(C)(C)C)n1C ZINC000330675422 386853040 /nfs/dbraw/zinc/85/30/40/386853040.db2.gz HGTSLDKRHCASJI-SECBINFHSA-N 1 2 239.323 1.163 20 0 BDADLO Cc1ccc(Cn2ncsc2=O)c(C)[nH+]1 ZINC000334781960 386837189 /nfs/dbraw/zinc/83/71/89/386837189.db2.gz KVAIFUGALPZDGM-UHFFFAOYSA-N 1 2 221.285 1.365 20 0 BDADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000334782208 386838028 /nfs/dbraw/zinc/83/80/28/386838028.db2.gz WZSMTHNSOPTUHI-KBPBESRZSA-N 1 2 249.358 1.845 20 0 BDADLO Cc1[nH]ncc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000334782208 386838029 /nfs/dbraw/zinc/83/80/29/386838029.db2.gz WZSMTHNSOPTUHI-KBPBESRZSA-N 1 2 249.358 1.845 20 0 BDADLO CC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280688979 386838761 /nfs/dbraw/zinc/83/87/61/386838761.db2.gz VMXSYURHONBFBT-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280688979 386838764 /nfs/dbraw/zinc/83/87/64/386838764.db2.gz VMXSYURHONBFBT-UHFFFAOYSA-N 1 2 209.293 1.505 20 0 BDADLO CC(C)(O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280716058 386840700 /nfs/dbraw/zinc/84/07/00/386840700.db2.gz BTVSNMBJONYEJL-UHFFFAOYSA-N 1 2 248.286 1.227 20 0 BDADLO COC(=O)c1ccc(C[N@H+](C)CCF)[nH]1 ZINC000293570554 386840895 /nfs/dbraw/zinc/84/08/95/386840895.db2.gz GYAOQVSECFBTQA-UHFFFAOYSA-N 1 2 214.240 1.203 20 0 BDADLO COC(=O)c1ccc(C[N@@H+](C)CCF)[nH]1 ZINC000293570554 386840903 /nfs/dbraw/zinc/84/09/03/386840903.db2.gz GYAOQVSECFBTQA-UHFFFAOYSA-N 1 2 214.240 1.203 20 0 BDADLO NCC(F)(F)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414937093 386844098 /nfs/dbraw/zinc/84/40/98/386844098.db2.gz WIYRISLMZNHICS-BBBLOLIVSA-N 1 2 246.301 1.128 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CC[C@@H](F)C1 ZINC000331372945 386845585 /nfs/dbraw/zinc/84/55/85/386845585.db2.gz JMYJOHHZHIXCGI-SFYZADRCSA-N 1 2 235.266 1.666 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CC[C@@H](F)C1 ZINC000331372934 386846523 /nfs/dbraw/zinc/84/65/23/386846523.db2.gz JMYJOHHZHIXCGI-HTQZYQBOSA-N 1 2 235.266 1.666 20 0 BDADLO Cc1nc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)no1 ZINC000328884289 386847126 /nfs/dbraw/zinc/84/71/26/386847126.db2.gz YKVBORQTCVDSGB-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO Cc1nc(C[N@H+]2CCCO[C@@H](C(C)C)C2)no1 ZINC000328884289 386847130 /nfs/dbraw/zinc/84/71/30/386847130.db2.gz YKVBORQTCVDSGB-LLVKDONJSA-N 1 2 239.319 1.625 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)OC)C[C@H](CC)O1 ZINC000398594869 386849306 /nfs/dbraw/zinc/84/93/06/386849306.db2.gz BPHNONUUSHXYIM-MXWKQRLJSA-N 1 2 229.320 1.437 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)OC)C[C@H](CC)O1 ZINC000398594869 386849310 /nfs/dbraw/zinc/84/93/10/386849310.db2.gz BPHNONUUSHXYIM-MXWKQRLJSA-N 1 2 229.320 1.437 20 0 BDADLO CN(C[C@H](O)C1CC1)c1[nH]c2ccccc2[nH+]1 ZINC000301921182 386891479 /nfs/dbraw/zinc/89/14/79/386891479.db2.gz XIQQMNMNTYLOSA-LBPRGKRZSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[S@@]1=O ZINC000334790305 386854855 /nfs/dbraw/zinc/85/48/55/386854855.db2.gz MPLJNRUBIPAKRD-GLEZIHRCSA-N 1 2 237.315 1.485 20 0 BDADLO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[S@@]1=O ZINC000334790305 386854860 /nfs/dbraw/zinc/85/48/60/386854860.db2.gz MPLJNRUBIPAKRD-GLEZIHRCSA-N 1 2 237.315 1.485 20 0 BDADLO C[C@H](O)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000293672016 386858147 /nfs/dbraw/zinc/85/81/47/386858147.db2.gz UXVQOFDCQWJSEX-JTQLQIEISA-N 1 2 246.314 1.158 20 0 BDADLO COC(=O)[C@]1(C)CCN(c2cc(C)[nH+]cn2)C1 ZINC000301646625 386863100 /nfs/dbraw/zinc/86/31/00/386863100.db2.gz OBQJMDDVIFHKSB-GFCCVEGCSA-N 1 2 235.287 1.174 20 0 BDADLO CC(C)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000335744670 386865048 /nfs/dbraw/zinc/86/50/48/386865048.db2.gz PDKJFMUPMZHYIH-LLVKDONJSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1cnc(C[NH2+][C@H]2CCc3cn[nH]c3C2)n1C ZINC000341295488 386865755 /nfs/dbraw/zinc/86/57/55/386865755.db2.gz XTXCJPBUGWAULB-NSHDSACASA-N 1 2 245.330 1.099 20 0 BDADLO Cc1nc(N(C)Cc2nc[nH]n2)c(C)c(C)[nH+]1 ZINC000301677900 386868816 /nfs/dbraw/zinc/86/88/16/386868816.db2.gz IGXQEBLEHSZVFP-UHFFFAOYSA-N 1 2 232.291 1.156 20 0 BDADLO Cc1nc(N(C)Cc2nnc[nH]2)c(C)c(C)[nH+]1 ZINC000301677900 386868828 /nfs/dbraw/zinc/86/88/28/386868828.db2.gz IGXQEBLEHSZVFP-UHFFFAOYSA-N 1 2 232.291 1.156 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335750140 386875227 /nfs/dbraw/zinc/87/52/27/386875227.db2.gz MVZIUMNSKOPIAO-UHFFFAOYSA-N 1 2 244.298 1.758 20 0 BDADLO O=C(c1ccc[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335750140 386875231 /nfs/dbraw/zinc/87/52/31/386875231.db2.gz MVZIUMNSKOPIAO-UHFFFAOYSA-N 1 2 244.298 1.758 20 0 BDADLO Cc1nc(N2CCOCC[C@H]2C)cc[nH+]1 ZINC000301975524 386894740 /nfs/dbraw/zinc/89/47/40/386894740.db2.gz BVGMLCNNVWYHJT-SECBINFHSA-N 1 2 207.277 1.400 20 0 BDADLO C[C@@H](O)CCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301784803 386877691 /nfs/dbraw/zinc/87/76/91/386877691.db2.gz OODAVVSNGFAIRD-SECBINFHSA-N 1 2 246.314 1.419 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2ccn(C)c2)n1 ZINC000341283503 386877865 /nfs/dbraw/zinc/87/78/65/386877865.db2.gz YVWBDJMPEDQJEH-UHFFFAOYSA-N 1 2 234.303 1.741 20 0 BDADLO C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000335752337 386878331 /nfs/dbraw/zinc/87/83/31/386878331.db2.gz NYRUDDVLPJIZGK-SECBINFHSA-N 1 2 221.304 1.556 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352885622 386879345 /nfs/dbraw/zinc/87/93/45/386879345.db2.gz OMCLKOQXCROVNB-KIGUWFBYSA-N 1 2 235.368 1.966 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352885622 386879348 /nfs/dbraw/zinc/87/93/48/386879348.db2.gz OMCLKOQXCROVNB-KIGUWFBYSA-N 1 2 235.368 1.966 20 0 BDADLO CC[C@H](F)C[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352885623 386879746 /nfs/dbraw/zinc/87/97/46/386879746.db2.gz OMCLKOQXCROVNB-USXUVBGUSA-N 1 2 235.368 1.966 20 0 BDADLO CC[C@H](F)C[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352885623 386879749 /nfs/dbraw/zinc/87/97/49/386879749.db2.gz OMCLKOQXCROVNB-USXUVBGUSA-N 1 2 235.368 1.966 20 0 BDADLO C[C@@]1(O)CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000293820797 386885160 /nfs/dbraw/zinc/88/51/60/386885160.db2.gz DDGLGJCFWDSLDG-GFCCVEGCSA-N 1 2 243.253 1.627 20 0 BDADLO Nc1nc(N[C@H]2CCOC2)[nH+]c2ccccc12 ZINC000301909740 386889733 /nfs/dbraw/zinc/88/97/33/386889733.db2.gz RVZSPDKQCJKOSB-QMMMGPOBSA-N 1 2 230.271 1.413 20 0 BDADLO C[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC(C)(C)C1 ZINC000331822955 386914270 /nfs/dbraw/zinc/91/42/70/386914270.db2.gz WQMZDKONMPDWMK-UHFFFAOYSA-N 1 2 210.281 1.131 20 0 BDADLO C[N@@H+](Cc1n[nH]c(=O)[nH]1)C1CC(C)(C)C1 ZINC000331822955 386914275 /nfs/dbraw/zinc/91/42/75/386914275.db2.gz WQMZDKONMPDWMK-UHFFFAOYSA-N 1 2 210.281 1.131 20 0 BDADLO CSC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000331863843 386919195 /nfs/dbraw/zinc/91/91/95/386919195.db2.gz GCCYUZBMHVFCAV-UHFFFAOYSA-N 1 2 225.317 1.230 20 0 BDADLO CC(C)Cc1noc(C[N@H+](C)C2CC(O)C2)n1 ZINC000331768767 386897401 /nfs/dbraw/zinc/89/74/01/386897401.db2.gz LCJYEAJYMDOCBB-UHFFFAOYSA-N 1 2 239.319 1.223 20 0 BDADLO CC(C)Cc1noc(C[N@@H+](C)C2CC(O)C2)n1 ZINC000331768767 386897404 /nfs/dbraw/zinc/89/74/04/386897404.db2.gz LCJYEAJYMDOCBB-UHFFFAOYSA-N 1 2 239.319 1.223 20 0 BDADLO CC(C)(O)C(C)(C)[NH2+]Cc1noc(C2CC2)n1 ZINC000331764930 386897720 /nfs/dbraw/zinc/89/77/20/386897720.db2.gz LICADFGHLHXFBK-UHFFFAOYSA-N 1 2 239.319 1.586 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)c1cncc(F)c1 ZINC000335760881 386898762 /nfs/dbraw/zinc/89/87/62/386898762.db2.gz OUCHFYZYDJNXQS-UHFFFAOYSA-N 1 2 245.257 1.852 20 0 BDADLO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1(C)C ZINC000331770592 386899945 /nfs/dbraw/zinc/89/99/45/386899945.db2.gz LNZMGANZBMOGME-UJNFCWOMSA-N 1 2 239.319 1.842 20 0 BDADLO Cc1ccnc(C[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000330856752 386904368 /nfs/dbraw/zinc/90/43/68/386904368.db2.gz NTEQOHRZIZNIFE-SNVBAGLBSA-N 1 2 231.303 1.369 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccn1 ZINC000331809353 386910510 /nfs/dbraw/zinc/91/05/10/386910510.db2.gz KXTSRHCVIVCGQW-JQWIXIFHSA-N 1 2 243.314 1.859 20 0 BDADLO Cn1nccc1CCNc1cc[nH+]c(C2CC2)n1 ZINC000302170317 386910769 /nfs/dbraw/zinc/91/07/69/386910769.db2.gz UCYDOMYPBRWMQT-UHFFFAOYSA-N 1 2 243.314 1.742 20 0 BDADLO Cc1c([C@H](C)[NH2+]Cc2nccc(C)n2)cnn1C ZINC000330840094 386911720 /nfs/dbraw/zinc/91/17/20/386911720.db2.gz JAEAPFWGUJDBBB-JTQLQIEISA-N 1 2 245.330 1.678 20 0 BDADLO CCc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cn1 ZINC000335767965 386912249 /nfs/dbraw/zinc/91/22/49/386912249.db2.gz POKXWWASCYWPKY-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO CCc1ccc(C[N@H+]2CC(=O)NCC2(C)C)cn1 ZINC000335767965 386912252 /nfs/dbraw/zinc/91/22/52/386912252.db2.gz POKXWWASCYWPKY-UHFFFAOYSA-N 1 2 247.342 1.354 20 0 BDADLO O=C(NC(C1CC1)C1CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368138679 386946306 /nfs/dbraw/zinc/94/63/06/386946306.db2.gz KCRVBDMRIDXVLZ-VIFPVBQESA-N 1 2 244.285 1.288 20 0 BDADLO Cn1c[nH+]cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000334818909 386946991 /nfs/dbraw/zinc/94/69/91/386946991.db2.gz LOKLJOIZKAYNQK-CYBMUJFWSA-N 1 2 235.331 1.421 20 0 BDADLO c1nc(N2CCCC2)cc(N[C@H]2CCOC2)[nH+]1 ZINC000302858160 386940546 /nfs/dbraw/zinc/94/05/46/386940546.db2.gz SWTGCZJOFWUYHU-JTQLQIEISA-N 1 2 234.303 1.278 20 0 BDADLO c1nc(N[C@H]2CCOC2)cc(N2CCCC2)[nH+]1 ZINC000302858160 386940549 /nfs/dbraw/zinc/94/05/49/386940549.db2.gz SWTGCZJOFWUYHU-JTQLQIEISA-N 1 2 234.303 1.278 20 0 BDADLO COC(=O)[C@H]1CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000302861490 386941018 /nfs/dbraw/zinc/94/10/18/386941018.db2.gz PZXNHYMYIULIAS-VHSXEESVSA-N 1 2 235.287 1.539 20 0 BDADLO CC(C)n1ccc(C(=O)Nc2cc[nH+]cc2O)n1 ZINC000358355160 386941897 /nfs/dbraw/zinc/94/18/97/386941897.db2.gz PDXVUBNHWQCGRE-UHFFFAOYSA-N 1 2 246.270 1.239 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](F)C1)NC1CCCCCC1 ZINC000334818396 386944780 /nfs/dbraw/zinc/94/47/80/386944780.db2.gz LJACDCAESRYGTE-LLVKDONJSA-N 1 2 242.338 1.869 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](F)C1)NC1CCCCCC1 ZINC000334818396 386944785 /nfs/dbraw/zinc/94/47/85/386944785.db2.gz LJACDCAESRYGTE-LLVKDONJSA-N 1 2 242.338 1.869 20 0 BDADLO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](F)C1 ZINC000334817835 386944912 /nfs/dbraw/zinc/94/49/12/386944912.db2.gz KUDZAKDWFAOZGT-SECBINFHSA-N 1 2 230.308 1.262 20 0 BDADLO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](F)C1 ZINC000334817835 386944915 /nfs/dbraw/zinc/94/49/15/386944915.db2.gz KUDZAKDWFAOZGT-SECBINFHSA-N 1 2 230.308 1.262 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCc1[nH+]ccn1C ZINC000331069999 386953521 /nfs/dbraw/zinc/95/35/21/386953521.db2.gz SJRGLWNZQWHGCA-ONGXEEELSA-N 1 2 239.319 1.097 20 0 BDADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccoc1)C1CC1 ZINC000341712322 386955646 /nfs/dbraw/zinc/95/56/46/386955646.db2.gz NYMPFEFDUQKWPO-NSHDSACASA-N 1 2 245.282 1.894 20 0 BDADLO CCS[C@@H](C(=O)NCc1c[nH+]c[nH]1)C(C)C ZINC000331088364 386959475 /nfs/dbraw/zinc/95/94/75/386959475.db2.gz RRPAZXBGQKDFNM-SNVBAGLBSA-N 1 2 241.360 1.804 20 0 BDADLO CCS[C@@H](C(=O)NCc1c[nH]c[nH+]1)C(C)C ZINC000331088364 386959480 /nfs/dbraw/zinc/95/94/80/386959480.db2.gz RRPAZXBGQKDFNM-SNVBAGLBSA-N 1 2 241.360 1.804 20 0 BDADLO FC(F)C[N@H+](CCn1cncn1)CC1CCC1 ZINC000341751862 386960800 /nfs/dbraw/zinc/96/08/00/386960800.db2.gz TUFHJASXWJSDCE-UHFFFAOYSA-N 1 2 244.289 1.645 20 0 BDADLO FC(F)C[N@@H+](CCn1cncn1)CC1CCC1 ZINC000341751862 386960805 /nfs/dbraw/zinc/96/08/05/386960805.db2.gz TUFHJASXWJSDCE-UHFFFAOYSA-N 1 2 244.289 1.645 20 0 BDADLO CC(C)(CF)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334889614 386962671 /nfs/dbraw/zinc/96/26/71/386962671.db2.gz NNIUZJBJNKWZBP-VIFPVBQESA-N 1 2 239.294 1.310 20 0 BDADLO O=C(Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000334896052 386968537 /nfs/dbraw/zinc/96/85/37/386968537.db2.gz WMXFPKYKMIOIHN-UHFFFAOYSA-N 1 2 241.294 1.468 20 0 BDADLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000368410256 386970022 /nfs/dbraw/zinc/97/00/22/386970022.db2.gz JMOJCVGOWANEFN-KOLCDFICSA-N 1 2 233.315 1.360 20 0 BDADLO CCN(C(=O)c1ccc2[nH+]ccn2c1)C1COC1 ZINC000334898308 386970307 /nfs/dbraw/zinc/97/03/07/386970307.db2.gz OFRHVYAUMNEVLB-UHFFFAOYSA-N 1 2 245.282 1.195 20 0 BDADLO Cc1cn[nH]c1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000352955188 386973791 /nfs/dbraw/zinc/97/37/91/386973791.db2.gz YPNUZBOHRZTILO-NSHDSACASA-N 1 2 248.334 1.334 20 0 BDADLO Cc1c[nH]nc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000352955188 386973795 /nfs/dbraw/zinc/97/37/95/386973795.db2.gz YPNUZBOHRZTILO-NSHDSACASA-N 1 2 248.334 1.334 20 0 BDADLO Cc1nc(CC[NH+]2CC(O)(C3CC3)C2)cs1 ZINC000368471484 386976271 /nfs/dbraw/zinc/97/62/71/386976271.db2.gz RSAAMARZPSIXCT-UHFFFAOYSA-N 1 2 238.356 1.451 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308421493 533206068 /nfs/dbraw/zinc/20/60/68/533206068.db2.gz OOVALAXQJVSKLY-AEJSXWLSSA-N 1 2 227.304 1.095 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC[C@H]3COC[C@H]32)o1 ZINC000368520147 386984598 /nfs/dbraw/zinc/98/45/98/386984598.db2.gz SUYIHYRQMPYACO-WDEREUQCSA-N 1 2 222.288 1.594 20 0 BDADLO Cc1cnc(C[N@H+]2CCC[C@H]3COC[C@H]32)o1 ZINC000368520147 386984607 /nfs/dbraw/zinc/98/46/07/386984607.db2.gz SUYIHYRQMPYACO-WDEREUQCSA-N 1 2 222.288 1.594 20 0 BDADLO CC[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353004918 386987106 /nfs/dbraw/zinc/98/71/06/386987106.db2.gz QBIMJCQLZJVNJO-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC[C@@H](C)[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353004918 386987111 /nfs/dbraw/zinc/98/71/11/386987111.db2.gz QBIMJCQLZJVNJO-MRVPVSSYSA-N 1 2 238.253 1.491 20 0 BDADLO CC(C)CCC[N@@H+]1CCOC[C@H]1C(N)=O ZINC000331198693 386987183 /nfs/dbraw/zinc/98/71/83/386987183.db2.gz TYFOBXRHKCVBDN-JTQLQIEISA-N 1 2 214.309 1.659 20 0 BDADLO CC(C)CCC[N@H+]1CCOC[C@H]1C(N)=O ZINC000331198693 386987189 /nfs/dbraw/zinc/98/71/89/386987189.db2.gz TYFOBXRHKCVBDN-JTQLQIEISA-N 1 2 214.309 1.659 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353010571 386990554 /nfs/dbraw/zinc/99/05/54/386990554.db2.gz VUSYDJNNTLDYQR-HTQZYQBOSA-N 1 2 237.246 1.109 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353010571 386990559 /nfs/dbraw/zinc/99/05/59/386990559.db2.gz VUSYDJNNTLDYQR-HTQZYQBOSA-N 1 2 237.246 1.109 20 0 BDADLO CC[C@]1(O)CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000332664292 386998494 /nfs/dbraw/zinc/99/84/94/386998494.db2.gz OVTIHYSNGUBXRL-JTQLQIEISA-N 1 2 247.245 1.354 20 0 BDADLO CC[C@]1(O)CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000332664292 386998500 /nfs/dbraw/zinc/99/85/00/386998500.db2.gz OVTIHYSNGUBXRL-JTQLQIEISA-N 1 2 247.245 1.354 20 0 BDADLO COC[C@]1(C)CC[N@H+](Cc2noc(C)n2)C1 ZINC000332679429 387000921 /nfs/dbraw/zinc/00/09/21/387000921.db2.gz JQTBIQRSRRPWAU-LLVKDONJSA-N 1 2 225.292 1.236 20 0 BDADLO COC[C@]1(C)CC[N@@H+](Cc2noc(C)n2)C1 ZINC000332679429 387000926 /nfs/dbraw/zinc/00/09/26/387000926.db2.gz JQTBIQRSRRPWAU-LLVKDONJSA-N 1 2 225.292 1.236 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@@H+]1CCC[C@@]12CCOC2 ZINC000341948869 387001989 /nfs/dbraw/zinc/00/19/89/387001989.db2.gz LUJSLDCOQRPZPN-ZDUSSCGKSA-N 1 2 248.330 1.437 20 0 BDADLO C(c1nnc(C2CC2)[nH]1)[N@H+]1CCC[C@@]12CCOC2 ZINC000341948869 387001994 /nfs/dbraw/zinc/00/19/94/387001994.db2.gz LUJSLDCOQRPZPN-ZDUSSCGKSA-N 1 2 248.330 1.437 20 0 BDADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711262 387003747 /nfs/dbraw/zinc/00/37/47/387003747.db2.gz PBAQTDZQKOBTES-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332711262 387003750 /nfs/dbraw/zinc/00/37/50/387003750.db2.gz PBAQTDZQKOBTES-YUMQZZPRSA-N 1 2 210.281 1.131 20 0 BDADLO CC(C)n1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000332701385 387003862 /nfs/dbraw/zinc/00/38/62/387003862.db2.gz XBFVQZZKOCADQE-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)n1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000332701385 387003863 /nfs/dbraw/zinc/00/38/63/387003863.db2.gz XBFVQZZKOCADQE-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000332734615 387005460 /nfs/dbraw/zinc/00/54/60/387005460.db2.gz VLZUVJMDTUKIKQ-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000332734615 387005465 /nfs/dbraw/zinc/00/54/65/387005465.db2.gz VLZUVJMDTUKIKQ-VIFPVBQESA-N 1 2 225.292 1.414 20 0 BDADLO O=C1NCC[N@@H+](CC2CC2)[C@@H]1c1ccccc1F ZINC000368190116 386948719 /nfs/dbraw/zinc/94/87/19/386948719.db2.gz TXGPJBXIBHSOJG-CYBMUJFWSA-N 1 2 248.301 1.709 20 0 BDADLO O=C1NCC[N@H+](CC2CC2)[C@@H]1c1ccccc1F ZINC000368190116 386948722 /nfs/dbraw/zinc/94/87/22/386948722.db2.gz TXGPJBXIBHSOJG-CYBMUJFWSA-N 1 2 248.301 1.709 20 0 BDADLO COCC1=CC[N@H+](Cc2cncnc2OC)CC1 ZINC000648025250 387032340 /nfs/dbraw/zinc/03/23/40/387032340.db2.gz PTIZBFPMAVUINB-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO COCC1=CC[N@@H+](Cc2cncnc2OC)CC1 ZINC000648025250 387032345 /nfs/dbraw/zinc/03/23/45/387032345.db2.gz PTIZBFPMAVUINB-UHFFFAOYSA-N 1 2 249.314 1.264 20 0 BDADLO CC[C@H](NC(=O)C1CCC(=O)CC1)c1[nH]cc[nH+]1 ZINC000333435848 387035290 /nfs/dbraw/zinc/03/52/90/387035290.db2.gz IRXFNNVIRDTNMO-NSHDSACASA-N 1 2 249.314 1.736 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000334958128 387037630 /nfs/dbraw/zinc/03/76/30/387037630.db2.gz AMLQMUUMEOKKAI-LLVKDONJSA-N 1 2 234.299 1.395 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)o1 ZINC000334958128 387037635 /nfs/dbraw/zinc/03/76/35/387037635.db2.gz AMLQMUUMEOKKAI-LLVKDONJSA-N 1 2 234.299 1.395 20 0 BDADLO CC(C)Cn1nccc1C[N@@H+]1CCOC[C@H]1C ZINC000648028899 387044044 /nfs/dbraw/zinc/04/40/44/387044044.db2.gz LMCAFPAQNZJRHK-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO CC(C)Cn1nccc1C[N@H+]1CCOC[C@H]1C ZINC000648028899 387044050 /nfs/dbraw/zinc/04/40/50/387044050.db2.gz LMCAFPAQNZJRHK-GFCCVEGCSA-N 1 2 237.347 1.760 20 0 BDADLO CC[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)c1[nH]cc[nH+]1 ZINC000333561728 387044812 /nfs/dbraw/zinc/04/48/12/387044812.db2.gz RPINOXDKBHANBY-KWBADKCTSA-N 1 2 249.314 1.404 20 0 BDADLO COC(=O)c1ccc(C[NH2+]Cc2cncnc2)o1 ZINC000359031903 387046643 /nfs/dbraw/zinc/04/66/43/387046643.db2.gz YULGXWIOAFIRRE-UHFFFAOYSA-N 1 2 247.254 1.146 20 0 BDADLO Nc1ncccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000333670505 387049071 /nfs/dbraw/zinc/04/90/71/387049071.db2.gz ISSSBMMRIQNSJQ-LBPRGKRZSA-N 1 2 233.315 1.275 20 0 BDADLO Nc1ncccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000333670505 387049076 /nfs/dbraw/zinc/04/90/76/387049076.db2.gz ISSSBMMRIQNSJQ-LBPRGKRZSA-N 1 2 233.315 1.275 20 0 BDADLO c1cn(CCOCCOc2ccccc2)c[nH+]1 ZINC000019974276 387067140 /nfs/dbraw/zinc/06/71/40/387067140.db2.gz ISYFFUCVMGKZNE-UHFFFAOYSA-N 1 2 232.283 1.979 20 0 BDADLO C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CC=CCC1 ZINC000333774819 387055097 /nfs/dbraw/zinc/05/50/97/387055097.db2.gz SSNCEIXDSLAIEN-CYBMUJFWSA-N 1 2 233.315 1.957 20 0 BDADLO C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CC=CCC1 ZINC000333774819 387055105 /nfs/dbraw/zinc/05/51/05/387055105.db2.gz SSNCEIXDSLAIEN-CYBMUJFWSA-N 1 2 233.315 1.957 20 0 BDADLO Cc1occc1C[NH2+]Cc1ncnn1C ZINC000321229586 387055161 /nfs/dbraw/zinc/05/51/61/387055161.db2.gz LNIIITOHIHNDEC-UHFFFAOYSA-N 1 2 206.249 1.006 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1cccs1 ZINC000359113626 387055261 /nfs/dbraw/zinc/05/52/61/387055261.db2.gz CAYFNJONWXRZIN-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1cccs1 ZINC000359113626 387055267 /nfs/dbraw/zinc/05/52/67/387055267.db2.gz CAYFNJONWXRZIN-MRVPVSSYSA-N 1 2 235.312 1.891 20 0 BDADLO CSc1ccc(C(=O)NCc2c[nH+]c[nH]2)o1 ZINC000359124770 387057063 /nfs/dbraw/zinc/05/70/63/387057063.db2.gz UFBQHFYJMLYNDB-UHFFFAOYSA-N 1 2 237.284 1.655 20 0 BDADLO CSc1ccc(C(=O)NCc2c[nH]c[nH+]2)o1 ZINC000359124770 387057066 /nfs/dbraw/zinc/05/70/66/387057066.db2.gz UFBQHFYJMLYNDB-UHFFFAOYSA-N 1 2 237.284 1.655 20 0 BDADLO F[C@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000336222903 387064346 /nfs/dbraw/zinc/06/43/46/387064346.db2.gz UWUVRLRBDHVIEB-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO F[C@H]1CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000336222903 387064348 /nfs/dbraw/zinc/06/43/48/387064348.db2.gz UWUVRLRBDHVIEB-JTQLQIEISA-N 1 2 219.263 1.878 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1O ZINC000336222874 387064456 /nfs/dbraw/zinc/06/44/56/387064456.db2.gz QHLCGKFLHJKBEI-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)cc1O ZINC000336222874 387064458 /nfs/dbraw/zinc/06/44/58/387064458.db2.gz QHLCGKFLHJKBEI-JTQLQIEISA-N 1 2 225.263 1.945 20 0 BDADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCC1 ZINC000368810497 387011673 /nfs/dbraw/zinc/01/16/73/387011673.db2.gz SNTWOTWNUYVPJF-JTQLQIEISA-N 1 2 219.288 1.068 20 0 BDADLO COC(=O)C1(C)C[NH+](Cc2ccccn2)C1 ZINC000425372246 387012828 /nfs/dbraw/zinc/01/28/28/387012828.db2.gz JKQGUYUXJCXMSP-UHFFFAOYSA-N 1 2 220.272 1.077 20 0 BDADLO Cc1noc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)n1 ZINC000333052957 387014079 /nfs/dbraw/zinc/01/40/79/387014079.db2.gz GZXAZJXLGGPZMI-ZJUUUORDSA-N 1 2 237.303 1.235 20 0 BDADLO Cc1noc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)n1 ZINC000333052957 387014085 /nfs/dbraw/zinc/01/40/85/387014085.db2.gz GZXAZJXLGGPZMI-ZJUUUORDSA-N 1 2 237.303 1.235 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000333155710 387019828 /nfs/dbraw/zinc/01/98/28/387019828.db2.gz BMFSNIJWRMICQT-CABZTGNLSA-N 1 2 234.299 1.572 20 0 BDADLO C[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000334942506 387020015 /nfs/dbraw/zinc/02/00/15/387020015.db2.gz JIMVBOGEFYSMAM-PWSUYJOCSA-N 1 2 247.342 1.782 20 0 BDADLO CNc1[nH+]cnc2c1cnn2CC1(O)CCCC1 ZINC000333178727 387021329 /nfs/dbraw/zinc/02/13/29/387021329.db2.gz RTSPOQVDQTVEHS-UHFFFAOYSA-N 1 2 247.302 1.173 20 0 BDADLO C[C@@H](CCc1ccco1)NC(=O)Cn1cc[nH+]c1 ZINC000514640885 387023739 /nfs/dbraw/zinc/02/37/39/387023739.db2.gz DWYOCFZVBGHKLK-NSHDSACASA-N 1 2 247.298 1.614 20 0 BDADLO CCN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117600427 387024478 /nfs/dbraw/zinc/02/44/78/387024478.db2.gz AYXXRNNXYDZEAI-UHFFFAOYSA-N 1 2 229.283 1.964 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000333307868 387026161 /nfs/dbraw/zinc/02/61/61/387026161.db2.gz DEYQZIAWACLLQD-SCZZXKLOSA-N 1 2 248.330 1.365 20 0 BDADLO C[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000333307868 387026166 /nfs/dbraw/zinc/02/61/66/387026166.db2.gz DEYQZIAWACLLQD-SCZZXKLOSA-N 1 2 248.330 1.365 20 0 BDADLO CN(C)c1[nH+]cc(CN2CCC[C@@H]2CF)n1C ZINC000425369169 387027200 /nfs/dbraw/zinc/02/72/00/387027200.db2.gz LLBMWZFEDJIVAR-SNVBAGLBSA-N 1 2 240.326 1.420 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000334884729 387027915 /nfs/dbraw/zinc/02/79/15/387027915.db2.gz BYHFCHPCUHHOPX-NXEZZACHSA-N 1 2 221.304 1.742 20 0 BDADLO CC[N@H+](CCO)[C@@H](C)c1nc(C2CC2)no1 ZINC000304229226 387029215 /nfs/dbraw/zinc/02/92/15/387029215.db2.gz HUZSRIOMCMBLCW-QMMMGPOBSA-N 1 2 225.292 1.322 20 0 BDADLO CC[N@@H+](CCO)[C@@H](C)c1nc(C2CC2)no1 ZINC000304229226 387029216 /nfs/dbraw/zinc/02/92/16/387029216.db2.gz HUZSRIOMCMBLCW-QMMMGPOBSA-N 1 2 225.292 1.322 20 0 BDADLO COC(=O)[C@H]([NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000425966734 387073901 /nfs/dbraw/zinc/07/39/01/387073901.db2.gz MCHAUCSWERFILB-XQJDBVBESA-N 1 2 246.310 1.636 20 0 BDADLO COC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186175554 387074345 /nfs/dbraw/zinc/07/43/45/387074345.db2.gz VLHGATOWUKUOBK-UHFFFAOYSA-N 1 2 231.295 1.707 20 0 BDADLO COC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186175554 387074348 /nfs/dbraw/zinc/07/43/48/387074348.db2.gz VLHGATOWUKUOBK-UHFFFAOYSA-N 1 2 231.295 1.707 20 0 BDADLO C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H]2F)c2[nH+]ccn21 ZINC000424866782 387078259 /nfs/dbraw/zinc/07/82/59/387078259.db2.gz GDFKBYAOVSBKDX-JXVAYASWSA-N 1 2 237.278 1.753 20 0 BDADLO CCC[C@@H](C)C[NH+]1CC(S(=O)(=O)CC)C1 ZINC000418068324 387082714 /nfs/dbraw/zinc/08/27/14/387082714.db2.gz CWIXKOLDSVJYCZ-SNVBAGLBSA-N 1 2 233.377 1.542 20 0 BDADLO Cc1cc(N[C@@H](C)C(N)=O)nc(C(C)C)[nH+]1 ZINC000035149199 387130950 /nfs/dbraw/zinc/13/09/50/387130950.db2.gz DWEREPYMFPPIDU-QMMMGPOBSA-N 1 2 222.292 1.194 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000336259798 387090266 /nfs/dbraw/zinc/09/02/66/387090266.db2.gz UNNQMOUDZTWFID-VHSXEESVSA-N 1 2 228.311 1.478 20 0 BDADLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000336259798 387090269 /nfs/dbraw/zinc/09/02/69/387090269.db2.gz UNNQMOUDZTWFID-VHSXEESVSA-N 1 2 228.311 1.478 20 0 BDADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1nccs1 ZINC000070733150 387090983 /nfs/dbraw/zinc/09/09/83/387090983.db2.gz JFQJPJQBKAWLDH-QMMMGPOBSA-N 1 2 241.360 1.708 20 0 BDADLO CO[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000352349681 387093754 /nfs/dbraw/zinc/09/37/54/387093754.db2.gz GBDHMFNIPJLUQL-QWRGUYRKSA-N 1 2 239.319 1.059 20 0 BDADLO CCn1c[nH+]cc1CN1CCO[C@H](CF)C1 ZINC000418087590 387093909 /nfs/dbraw/zinc/09/39/09/387093909.db2.gz HRROYJORFRVIGW-LLVKDONJSA-N 1 2 227.283 1.073 20 0 BDADLO COC[C@H](O)CNc1[nH+]c2ccccc2cc1C ZINC000071271387 387096885 /nfs/dbraw/zinc/09/68/85/387096885.db2.gz SDLALBKKLFUPKD-GFCCVEGCSA-N 1 2 246.310 1.962 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCCF ZINC000359423223 387099538 /nfs/dbraw/zinc/09/95/38/387099538.db2.gz LSKUGFNZFJIVIL-JTQLQIEISA-N 1 2 242.298 1.321 20 0 BDADLO CC(C)[C@H]1CCC[N@H+](Cc2nnn(C)n2)CC1 ZINC000193371045 387101644 /nfs/dbraw/zinc/10/16/44/387101644.db2.gz SCVULYDPGZPWBC-NSHDSACASA-N 1 2 237.351 1.468 20 0 BDADLO CC(C)[C@H]1CCC[N@@H+](Cc2nnn(C)n2)CC1 ZINC000193371045 387101647 /nfs/dbraw/zinc/10/16/47/387101647.db2.gz SCVULYDPGZPWBC-NSHDSACASA-N 1 2 237.351 1.468 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@]2(C)CCCO2)c[nH+]1 ZINC000334947686 387110754 /nfs/dbraw/zinc/11/07/54/387110754.db2.gz LLOCEHUXMHRPGH-NSHDSACASA-N 1 2 223.276 1.017 20 0 BDADLO Cc1cc(NC(=O)[C@@]2(C)CC2(F)F)cc[nH+]1 ZINC000335023973 387113851 /nfs/dbraw/zinc/11/38/51/387113851.db2.gz ZMCVYMGZHAVVGG-SNVBAGLBSA-N 1 2 226.226 1.796 20 0 BDADLO Cc1cc(NC(=O)[C@]23C[C@H]2CCC3)cc[nH+]1 ZINC000335023948 387114403 /nfs/dbraw/zinc/11/44/03/387114403.db2.gz ZAORCUDEOJSDDI-ZWNOBZJWSA-N 1 2 216.284 1.941 20 0 BDADLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)n1C ZINC000336281642 387115221 /nfs/dbraw/zinc/11/52/21/387115221.db2.gz VEJZWQWQJUUNLU-UHFFFAOYSA-N 1 2 246.314 1.637 20 0 BDADLO Cc1cnc(C[N@H+]2CCC=C(C)C2)nc1 ZINC000335025084 387117251 /nfs/dbraw/zinc/11/72/51/387117251.db2.gz BYXIQOJWGOTVAE-UHFFFAOYSA-N 1 2 203.289 1.937 20 0 BDADLO Cc1cnc(C[N@@H+]2CCC=C(C)C2)nc1 ZINC000335025084 387117257 /nfs/dbraw/zinc/11/72/57/387117257.db2.gz BYXIQOJWGOTVAE-UHFFFAOYSA-N 1 2 203.289 1.937 20 0 BDADLO c1cc(C[NH2+]Cc2cnn3ccccc23)n[nH]1 ZINC000071373217 387120357 /nfs/dbraw/zinc/12/03/57/387120357.db2.gz VPSKJVVCQGKYRJ-UHFFFAOYSA-N 1 2 227.271 1.347 20 0 BDADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000228922926 387126292 /nfs/dbraw/zinc/12/62/92/387126292.db2.gz IVCGPAZIQFTNNF-SNVBAGLBSA-N 1 2 229.283 1.830 20 0 BDADLO Cc1cnc(C[NH+]2CCC(O)(C(F)F)CC2)o1 ZINC000336298338 387128402 /nfs/dbraw/zinc/12/84/02/387128402.db2.gz MYVHFMGSEITIJO-UHFFFAOYSA-N 1 2 246.257 1.575 20 0 BDADLO FC(F)[C@@H]1CCC[N@@H+]1CCn1cncn1 ZINC000353175844 387151296 /nfs/dbraw/zinc/15/12/96/387151296.db2.gz SKXGSBRGYKXGPW-QMMMGPOBSA-N 1 2 216.235 1.008 20 0 BDADLO FC(F)[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC000353175844 387151301 /nfs/dbraw/zinc/15/13/01/387151301.db2.gz SKXGSBRGYKXGPW-QMMMGPOBSA-N 1 2 216.235 1.008 20 0 BDADLO Cc1nc(C[N@@H+](C)[C@H]2CCSC2)no1 ZINC000120033586 387151729 /nfs/dbraw/zinc/15/17/29/387151729.db2.gz KYNQZHFNGHOLAX-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO Cc1nc(C[N@H+](C)[C@H]2CCSC2)no1 ZINC000120033586 387151731 /nfs/dbraw/zinc/15/17/31/387151731.db2.gz KYNQZHFNGHOLAX-QMMMGPOBSA-N 1 2 213.306 1.315 20 0 BDADLO CC(C)CO[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000120057288 387153139 /nfs/dbraw/zinc/15/31/39/387153139.db2.gz BOFKYDUUIHTECL-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000120057288 387153143 /nfs/dbraw/zinc/15/31/43/387153143.db2.gz BOFKYDUUIHTECL-NSHDSACASA-N 1 2 238.335 1.062 20 0 BDADLO COC(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353198964 387156619 /nfs/dbraw/zinc/15/66/19/387156619.db2.gz AQXRVZCDXNLRQN-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO COC(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353198964 387156622 /nfs/dbraw/zinc/15/66/22/387156622.db2.gz AQXRVZCDXNLRQN-SSDOTTSWSA-N 1 2 207.220 1.279 20 0 BDADLO Cc1csc(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000336331364 387158838 /nfs/dbraw/zinc/15/88/38/387158838.db2.gz DYBCEAGAIMUGCX-VXNVDRBHSA-N 1 2 239.344 1.730 20 0 BDADLO Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000336331364 387158841 /nfs/dbraw/zinc/15/88/41/387158841.db2.gz DYBCEAGAIMUGCX-VXNVDRBHSA-N 1 2 239.344 1.730 20 0 BDADLO COCc1nc(C[NH2+]Cc2ccccn2)cs1 ZINC000353213520 387158894 /nfs/dbraw/zinc/15/88/94/387158894.db2.gz APMGVOJBIQEKGJ-UHFFFAOYSA-N 1 2 249.339 1.974 20 0 BDADLO Cc1csc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000336331363 387159253 /nfs/dbraw/zinc/15/92/53/387159253.db2.gz DYBCEAGAIMUGCX-IONNQARKSA-N 1 2 239.344 1.730 20 0 BDADLO Cc1csc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000336331363 387159256 /nfs/dbraw/zinc/15/92/56/387159256.db2.gz DYBCEAGAIMUGCX-IONNQARKSA-N 1 2 239.344 1.730 20 0 BDADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CC12CCCC2 ZINC000548132316 387161550 /nfs/dbraw/zinc/16/15/50/387161550.db2.gz DKESQMJGPUMPAI-GFCCVEGCSA-N 1 2 247.342 1.659 20 0 BDADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H](C)OC ZINC000229375942 387166862 /nfs/dbraw/zinc/16/68/62/387166862.db2.gz QNQYUPMZEOAGTD-MXWKQRLJSA-N 1 2 231.336 1.587 20 0 BDADLO Cn1nnc(C[N@H+](C)C2CCC(C)(C)CC2)n1 ZINC000193433097 387171646 /nfs/dbraw/zinc/17/16/46/387171646.db2.gz CFOGTAVGWFAAAM-UHFFFAOYSA-N 1 2 237.351 1.611 20 0 BDADLO Cn1nnc(C[N@@H+](C)C2CCC(C)(C)CC2)n1 ZINC000193433097 387171653 /nfs/dbraw/zinc/17/16/53/387171653.db2.gz CFOGTAVGWFAAAM-UHFFFAOYSA-N 1 2 237.351 1.611 20 0 BDADLO CCO[C@H]1COCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000353278598 387172114 /nfs/dbraw/zinc/17/21/14/387172114.db2.gz RJVVFMJQVUBEPC-QWRGUYRKSA-N 1 2 237.303 1.391 20 0 BDADLO C[C@@H](CC(=O)N1[C@H](C)C[C@@H]1C)n1cc[nH+]c1 ZINC000571812213 387176298 /nfs/dbraw/zinc/17/62/98/387176298.db2.gz ZROSDTGCTKWIOW-GARJFASQSA-N 1 2 221.304 1.844 20 0 BDADLO Cl/C=C/C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000367151201 387181005 /nfs/dbraw/zinc/18/10/05/387181005.db2.gz NMIUGASZUOHUQA-FWEMWIAWSA-N 1 2 231.723 1.620 20 0 BDADLO Cl/C=C/C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000367151201 387181009 /nfs/dbraw/zinc/18/10/09/387181009.db2.gz NMIUGASZUOHUQA-FWEMWIAWSA-N 1 2 231.723 1.620 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000571877671 387189988 /nfs/dbraw/zinc/18/99/88/387189988.db2.gz POLUNUMCFYLRTD-WOPDTQHZSA-N 1 2 248.330 1.371 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000355268956 387136705 /nfs/dbraw/zinc/13/67/05/387136705.db2.gz QBBHBGPNBHCLRD-MNOVXSKESA-N 1 2 219.288 1.082 20 0 BDADLO CCCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000359966523 387202116 /nfs/dbraw/zinc/20/21/16/387202116.db2.gz PNDZJRTZXFTSCX-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO CCCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000359966523 387202123 /nfs/dbraw/zinc/20/21/23/387202123.db2.gz PNDZJRTZXFTSCX-LBPRGKRZSA-N 1 2 240.347 1.108 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CC2CCC1CC2 ZINC000371396053 387204194 /nfs/dbraw/zinc/20/41/94/387204194.db2.gz HZVRSRUZGMQDAG-UHFFFAOYSA-N 1 2 233.315 1.674 20 0 BDADLO Cc1cc[nH+]c(NC[C@@H](C)O)c1Cl ZINC000306511647 387227344 /nfs/dbraw/zinc/22/73/44/387227344.db2.gz NRIAZLPXSDEGTM-SSDOTTSWSA-N 1 2 200.669 1.836 20 0 BDADLO CC(C)c1nc(N[C@H](CO)CC2CCC2)cc[nH+]1 ZINC000360108545 387227788 /nfs/dbraw/zinc/22/77/88/387227788.db2.gz QXYANHCYMYEBCU-LBPRGKRZSA-N 1 2 249.358 1.985 20 0 BDADLO CCC[C@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000360139676 387231632 /nfs/dbraw/zinc/23/16/32/387231632.db2.gz DVPUPCWILBPVLD-UWVGGRQHSA-N 1 2 221.304 1.473 20 0 BDADLO Fc1ccc2c(c1)CN(Cc1c[nH+]c[nH]1)CCO2 ZINC000336412017 387239937 /nfs/dbraw/zinc/23/99/37/387239937.db2.gz LZPHJYVLKLZHEZ-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO Fc1ccc2c(c1)CN(Cc1c[nH]c[nH+]1)CCO2 ZINC000336412017 387239940 /nfs/dbraw/zinc/23/99/40/387239940.db2.gz LZPHJYVLKLZHEZ-UHFFFAOYSA-N 1 2 247.273 1.943 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[C@@H](F)C1 ZINC000424665442 387241026 /nfs/dbraw/zinc/24/10/26/387241026.db2.gz NPGJPKFZEHWOSX-VHSXEESVSA-N 1 2 239.294 1.597 20 0 BDADLO CCC[C@H]1C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000360199386 387243484 /nfs/dbraw/zinc/24/34/84/387243484.db2.gz QANHRMJDSSOSLM-VHSXEESVSA-N 1 2 221.304 1.505 20 0 BDADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)c1cccnc1 ZINC000360213844 387246507 /nfs/dbraw/zinc/24/65/07/387246507.db2.gz RNFGRWUNUHMSCI-SNVBAGLBSA-N 1 2 244.298 1.615 20 0 BDADLO CC(C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120459056 387247543 /nfs/dbraw/zinc/24/75/43/387247543.db2.gz QRVWXHREQYVDNH-GFCCVEGCSA-N 1 2 234.299 1.717 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000353648548 387248375 /nfs/dbraw/zinc/24/83/75/387248375.db2.gz BDHVKSJXDOHLNC-UHFFFAOYSA-N 1 2 247.342 1.788 20 0 BDADLO Cc1ccnc(C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000353648548 387248379 /nfs/dbraw/zinc/24/83/79/387248379.db2.gz BDHVKSJXDOHLNC-UHFFFAOYSA-N 1 2 247.342 1.788 20 0 BDADLO Cc1cccc(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000230226959 387249634 /nfs/dbraw/zinc/24/96/34/387249634.db2.gz BCGPBFAEFMHHNH-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1cccc(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000230226959 387249635 /nfs/dbraw/zinc/24/96/35/387249635.db2.gz BCGPBFAEFMHHNH-UHFFFAOYSA-N 1 2 229.283 1.957 20 0 BDADLO Cc1cccc(C)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000230226639 387250301 /nfs/dbraw/zinc/25/03/01/387250301.db2.gz QLAYMKHMJBALJL-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC1=CCOCC1 ZINC000572303731 387312053 /nfs/dbraw/zinc/31/20/53/387312053.db2.gz VTLFPCORCRCRLB-UHFFFAOYSA-N 1 2 219.288 1.274 20 0 BDADLO C[C@@H](CF)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000360591404 387315015 /nfs/dbraw/zinc/31/50/15/387315015.db2.gz OLGOLHUKZGRTEU-JTQLQIEISA-N 1 2 247.273 1.960 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(NCC3CC3)[nH+]cn2)CO1 ZINC000514933915 387316376 /nfs/dbraw/zinc/31/63/76/387316376.db2.gz DGUXCXPIGHXMQP-KOLCDFICSA-N 1 2 248.330 1.888 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(NCC3CC3)nc[nH+]2)CO1 ZINC000514933915 387316381 /nfs/dbraw/zinc/31/63/81/387316381.db2.gz DGUXCXPIGHXMQP-KOLCDFICSA-N 1 2 248.330 1.888 20 0 BDADLO COC[C@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353676700 387256387 /nfs/dbraw/zinc/25/63/87/387256387.db2.gz LWSOUBIIDSVNDT-VIFPVBQESA-N 1 2 248.286 1.491 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000336430374 387257208 /nfs/dbraw/zinc/25/72/08/387257208.db2.gz ZZTPNHYPKFJZAI-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000336430374 387257214 /nfs/dbraw/zinc/25/72/14/387257214.db2.gz ZZTPNHYPKFJZAI-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CO[C@@H](CNc1nc(C)[nH+]cc1C)CC(C)C ZINC000572179078 387258280 /nfs/dbraw/zinc/25/82/80/387258280.db2.gz HRTDDRROVZWZOG-GFCCVEGCSA-N 1 2 237.347 1.988 20 0 BDADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000230314060 387260832 /nfs/dbraw/zinc/26/08/32/387260832.db2.gz MAIBZJGXIHMOMH-VXGBXAGGSA-N 1 2 221.304 1.375 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H](F)C1 ZINC000360358573 387269830 /nfs/dbraw/zinc/26/98/30/387269830.db2.gz GMZPUCCKLLJNBX-NXEZZACHSA-N 1 2 225.267 1.280 20 0 BDADLO C[N@@H+](Cc1ccco1)C[C@@H]1CCS(=O)(=O)C1 ZINC000353773231 387271712 /nfs/dbraw/zinc/27/17/12/387271712.db2.gz ATTZJZVIOQPOSF-JTQLQIEISA-N 1 2 243.328 1.146 20 0 BDADLO C[N@H+](Cc1ccco1)C[C@@H]1CCS(=O)(=O)C1 ZINC000353773231 387271714 /nfs/dbraw/zinc/27/17/14/387271714.db2.gz ATTZJZVIOQPOSF-JTQLQIEISA-N 1 2 243.328 1.146 20 0 BDADLO CN(Cc1ccon1)Cc1cn2ccccc2[nH+]1 ZINC000353810949 387280371 /nfs/dbraw/zinc/28/03/71/387280371.db2.gz DUHVBMBCFQEWQR-UHFFFAOYSA-N 1 2 242.282 1.954 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1cc[nH]n1 ZINC000336455882 387282809 /nfs/dbraw/zinc/28/28/09/387282809.db2.gz AGYFUOYDJRYHHB-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1cc[nH]n1 ZINC000336455882 387282813 /nfs/dbraw/zinc/28/28/13/387282813.db2.gz AGYFUOYDJRYHHB-LLVKDONJSA-N 1 2 209.293 1.411 20 0 BDADLO C[C@@H](C(=O)Nc1ccccn1)[NH+]1CC(C)C1 ZINC000514746094 387284692 /nfs/dbraw/zinc/28/46/92/387284692.db2.gz BWROMBHVSXADPU-JTQLQIEISA-N 1 2 219.288 1.360 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000336491536 387318374 /nfs/dbraw/zinc/31/83/74/387318374.db2.gz ANADLFOOPIBVTN-BDAKNGLRSA-N 1 2 212.272 1.403 20 0 BDADLO CC[C@H](F)C[N@H+]1CCn2cnnc2[C@H]1C ZINC000336491536 387318377 /nfs/dbraw/zinc/31/83/77/387318377.db2.gz ANADLFOOPIBVTN-BDAKNGLRSA-N 1 2 212.272 1.403 20 0 BDADLO C[C@H](O)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336468121 387297466 /nfs/dbraw/zinc/29/74/66/387297466.db2.gz HPJQTRGOFONGFJ-QMMMGPOBSA-N 1 2 231.255 1.396 20 0 BDADLO Cc1cc(NC(=O)N2CC(C3CC3)C2)cc[nH+]1 ZINC000643462185 387300842 /nfs/dbraw/zinc/30/08/42/387300842.db2.gz YEFKGUBKUKEAKQ-UHFFFAOYSA-N 1 2 231.299 1.686 20 0 BDADLO CCc1ccc(O)c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000354327746 387359707 /nfs/dbraw/zinc/35/97/07/387359707.db2.gz JWEFFTQRQHABHM-UHFFFAOYSA-N 1 2 245.282 1.608 20 0 BDADLO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2C)c(C)n1 ZINC000336544880 387368798 /nfs/dbraw/zinc/36/87/98/387368798.db2.gz BAEOKLGDQJFSCV-GFCCVEGCSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2C)c(C)n1 ZINC000336544880 387368802 /nfs/dbraw/zinc/36/88/02/387368802.db2.gz BAEOKLGDQJFSCV-GFCCVEGCSA-N 1 2 233.359 1.834 20 0 BDADLO Cc1cnc(C[N@@H+]2CCOC(C)(C)[C@H]2C)o1 ZINC000336552629 387373202 /nfs/dbraw/zinc/37/32/02/387373202.db2.gz JJVYEPSYMPYMIE-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1cnc(C[N@H+]2CCOC(C)(C)[C@H]2C)o1 ZINC000336552629 387373204 /nfs/dbraw/zinc/37/32/04/387373204.db2.gz JJVYEPSYMPYMIE-SNVBAGLBSA-N 1 2 224.304 1.982 20 0 BDADLO Cn1ccnc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000336553963 387374943 /nfs/dbraw/zinc/37/49/43/387374943.db2.gz PCKGPJLBEYNWHT-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO Cn1ccnc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000336553963 387374949 /nfs/dbraw/zinc/37/49/49/387374949.db2.gz PCKGPJLBEYNWHT-SNVBAGLBSA-N 1 2 209.293 1.031 20 0 BDADLO CC(C)OCCCCNC(=O)Cn1cc[nH+]c1 ZINC000515400218 387375054 /nfs/dbraw/zinc/37/50/54/387375054.db2.gz DSYKMROKRLKLEO-UHFFFAOYSA-N 1 2 239.319 1.205 20 0 BDADLO CC(=O)CCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000373487464 387376683 /nfs/dbraw/zinc/37/66/83/387376683.db2.gz ZYASPEGHADZAAU-UHFFFAOYSA-N 1 2 249.314 1.293 20 0 BDADLO Cc1c[nH+]c(CN2CCC[C@H]2CF)n1C ZINC000354518327 387384968 /nfs/dbraw/zinc/38/49/68/387384968.db2.gz AHCBTHDFGGCUFV-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO COc1ccc(NCc2nccnc2OC)[nH+]c1 ZINC000648481778 387379340 /nfs/dbraw/zinc/37/93/40/387379340.db2.gz IWQVOQMKBOYXOE-UHFFFAOYSA-N 1 2 246.270 1.501 20 0 BDADLO CC[C@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336557113 387381432 /nfs/dbraw/zinc/38/14/32/387381432.db2.gz GMUABTPEAOEFKJ-MNOVXSKESA-N 1 2 233.315 1.456 20 0 BDADLO CCOCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000372659662 387319760 /nfs/dbraw/zinc/31/97/60/387319760.db2.gz HYSQNEFDJWJXQF-NSHDSACASA-N 1 2 225.288 1.689 20 0 BDADLO CCOCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000372659662 387319766 /nfs/dbraw/zinc/31/97/66/387319766.db2.gz HYSQNEFDJWJXQF-NSHDSACASA-N 1 2 225.288 1.689 20 0 BDADLO Cc1cccn2c(CNc3ncnn3C)c[nH+]c12 ZINC000162210148 387327247 /nfs/dbraw/zinc/32/72/47/387327247.db2.gz MNWJHMRMDVSMPX-UHFFFAOYSA-N 1 2 242.286 1.383 20 0 BDADLO CC(C)COCC[N@@H+]1CCc2c(ncn2C)C1 ZINC000372811586 387329461 /nfs/dbraw/zinc/32/94/61/387329461.db2.gz HJICHTKMVRYJIW-UHFFFAOYSA-N 1 2 237.347 1.451 20 0 BDADLO CC(C)COCC[N@H+]1CCc2c(ncn2C)C1 ZINC000372811586 387329470 /nfs/dbraw/zinc/32/94/70/387329470.db2.gz HJICHTKMVRYJIW-UHFFFAOYSA-N 1 2 237.347 1.451 20 0 BDADLO CC(C)COCCN1CCc2c([nH+]cn2C)C1 ZINC000372811586 387329475 /nfs/dbraw/zinc/32/94/75/387329475.db2.gz HJICHTKMVRYJIW-UHFFFAOYSA-N 1 2 237.347 1.451 20 0 BDADLO CC1(C)CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000515103297 387335749 /nfs/dbraw/zinc/33/57/49/387335749.db2.gz FHPNPWOMFMEXIZ-SNVBAGLBSA-N 1 2 221.304 1.578 20 0 BDADLO C[C@@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000424758747 387336734 /nfs/dbraw/zinc/33/67/34/387336734.db2.gz VNEHXDCFQOXQKV-NXEZZACHSA-N 1 2 234.299 1.974 20 0 BDADLO CC(C)CC[C@@H](O)C[NH+]1CC(OC(F)F)C1 ZINC000360684802 387336670 /nfs/dbraw/zinc/33/66/70/387336670.db2.gz HNVBUAGRGXBQHV-SECBINFHSA-N 1 2 237.290 1.707 20 0 BDADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC1CC1 ZINC000372992595 387339981 /nfs/dbraw/zinc/33/99/81/387339981.db2.gz YJKBCAOJJBDVEZ-UHFFFAOYSA-N 1 2 248.330 1.523 20 0 BDADLO COC(=O)CSCCc1cc[nH+]cc1C ZINC000572354362 387341816 /nfs/dbraw/zinc/34/18/16/387341816.db2.gz SHWMQHNVQRDOIN-UHFFFAOYSA-N 1 2 225.313 1.839 20 0 BDADLO Cn1c2cc(F)ccc2[nH+]c1N1CC(CO)C1 ZINC000336620031 387461290 /nfs/dbraw/zinc/46/12/90/387461290.db2.gz QDENNGFGDUJYAL-UHFFFAOYSA-N 1 2 235.262 1.141 20 0 BDADLO O=C([O-])C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000037596879 387426311 /nfs/dbraw/zinc/42/63/11/387426311.db2.gz MTSNYURQGBJJHF-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO O=C([O-])C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000037596879 387426317 /nfs/dbraw/zinc/42/63/17/387426317.db2.gz MTSNYURQGBJJHF-UHFFFAOYSA-N 1 2 237.303 1.212 20 0 BDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(F)(F)F)C1 ZINC000374334023 387442624 /nfs/dbraw/zinc/44/26/24/387442624.db2.gz SVBCPXDWNUYVQV-ZETCQYMHSA-N 1 2 247.220 1.298 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](C2CC2)C1 ZINC000374323618 387443807 /nfs/dbraw/zinc/44/38/07/387443807.db2.gz IJFSAPGNDXPOER-JTQLQIEISA-N 1 2 243.314 1.600 20 0 BDADLO Cc1nnc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)s1 ZINC000354901357 387444622 /nfs/dbraw/zinc/44/46/22/387444622.db2.gz RPUMJCQZNOZUDA-PSASIEDQSA-N 1 2 241.360 1.582 20 0 BDADLO Cc1nnc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)s1 ZINC000354901357 387444627 /nfs/dbraw/zinc/44/46/27/387444627.db2.gz RPUMJCQZNOZUDA-PSASIEDQSA-N 1 2 241.360 1.582 20 0 BDADLO C[C@H]1C[N@H+](C/C=C\c2ccccc2)CC(=O)N1 ZINC000515984426 387445688 /nfs/dbraw/zinc/44/56/88/387445688.db2.gz YCHWUZXVSUATHS-JECSTDCCSA-N 1 2 230.311 1.520 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C\c2ccccc2)CC(=O)N1 ZINC000515984426 387445691 /nfs/dbraw/zinc/44/56/91/387445691.db2.gz YCHWUZXVSUATHS-JECSTDCCSA-N 1 2 230.311 1.520 20 0 BDADLO CCC[C@@H]([NH2+][C@@H](COC)CC(C)C)C(=O)OC ZINC000354929239 387449483 /nfs/dbraw/zinc/44/94/83/387449483.db2.gz LFQMIOKKXUWTCF-VXGBXAGGSA-N 1 2 245.363 1.979 20 0 BDADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1C[C@H]1C)CCC2 ZINC000374435793 387454266 /nfs/dbraw/zinc/45/42/66/387454266.db2.gz KNZRNUGPSOVMAM-USWWRNFRSA-N 1 2 247.342 1.841 20 0 BDADLO Cc1nc(C[N@@H+](C(C)C)[C@@H]2CCOC2)no1 ZINC000361420864 387459915 /nfs/dbraw/zinc/45/99/15/387459915.db2.gz PURVPCVVWUZAEW-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nc(C[N@H+](C(C)C)[C@@H]2CCOC2)no1 ZINC000361420864 387459917 /nfs/dbraw/zinc/45/99/17/387459917.db2.gz PURVPCVVWUZAEW-SNVBAGLBSA-N 1 2 225.292 1.377 20 0 BDADLO COCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000082776949 387388400 /nfs/dbraw/zinc/38/84/00/387388400.db2.gz WSZCAKDOGHXKTF-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO COCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000082776949 387388403 /nfs/dbraw/zinc/38/84/03/387388403.db2.gz WSZCAKDOGHXKTF-VIFPVBQESA-N 1 2 217.309 1.295 20 0 BDADLO Cn1c[nH+]cc1CNc1ccc([S@@](C)=O)cc1 ZINC000121674138 387391807 /nfs/dbraw/zinc/39/18/07/387391807.db2.gz FPFIJOSSXYQQLG-KRWDZBQOSA-N 1 2 249.339 1.770 20 0 BDADLO Fc1ccc(CN2CCn3cc[nH+]c3C2)nc1 ZINC000336569285 387394028 /nfs/dbraw/zinc/39/40/28/387394028.db2.gz AZODGWRJWPGWEB-UHFFFAOYSA-N 1 2 232.262 1.433 20 0 BDADLO CC[C@H](C)[C@H](OC)C(=O)NCCn1cc[nH+]c1 ZINC000354586473 387399368 /nfs/dbraw/zinc/39/93/68/387399368.db2.gz PVVKWFLSNUSTCG-QWRGUYRKSA-N 1 2 239.319 1.060 20 0 BDADLO Cc1c[nH+]c(CN(C(C)C)[C@H]2CCOC2)n1C ZINC000361082229 387399677 /nfs/dbraw/zinc/39/96/77/387399677.db2.gz OGFDRFDNTHWTEZ-LBPRGKRZSA-N 1 2 237.347 1.728 20 0 BDADLO O=C(NCCF)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000373882050 387401839 /nfs/dbraw/zinc/40/18/39/387401839.db2.gz PWTJJWFEGAOTAO-GFCCVEGCSA-N 1 2 236.290 1.347 20 0 BDADLO O=C(NCCF)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000373882050 387401845 /nfs/dbraw/zinc/40/18/45/387401845.db2.gz PWTJJWFEGAOTAO-GFCCVEGCSA-N 1 2 236.290 1.347 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423757388 387411886 /nfs/dbraw/zinc/41/18/86/387411886.db2.gz DCSCUQWNYCSVMR-SCZZXKLOSA-N 1 2 241.360 1.694 20 0 BDADLO Cn1nccc1C[N@H+](C)Cc1ccoc1 ZINC000352650992 387413051 /nfs/dbraw/zinc/41/30/51/387413051.db2.gz CDAKGNWCKWELFW-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO Cn1nccc1C[N@@H+](C)Cc1ccoc1 ZINC000352650992 387413056 /nfs/dbraw/zinc/41/30/56/387413056.db2.gz CDAKGNWCKWELFW-UHFFFAOYSA-N 1 2 205.261 1.645 20 0 BDADLO COC(=O)[C@H](C)N(C)Cc1cn2ccccc2[nH+]1 ZINC000361183274 387413097 /nfs/dbraw/zinc/41/30/97/387413097.db2.gz RARIUZONZDTKBB-JTQLQIEISA-N 1 2 247.298 1.328 20 0 BDADLO CCCc1nc(C[N@H+](C[C@@H](C)O)C(C)C)no1 ZINC000303994804 387421835 /nfs/dbraw/zinc/42/18/35/387421835.db2.gz OQKFYBWZIFLMKJ-SNVBAGLBSA-N 1 2 241.335 1.613 20 0 BDADLO CCCc1nc(C[N@@H+](C[C@@H](C)O)C(C)C)no1 ZINC000303994804 387421840 /nfs/dbraw/zinc/42/18/40/387421840.db2.gz OQKFYBWZIFLMKJ-SNVBAGLBSA-N 1 2 241.335 1.613 20 0 BDADLO CCc1ccc(C[N@H+](C)[C@H]2CCNC2=O)o1 ZINC000355190611 387494486 /nfs/dbraw/zinc/49/44/86/387494486.db2.gz AHCVKTKNOFPOSY-NSHDSACASA-N 1 2 222.288 1.162 20 0 BDADLO CCc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)o1 ZINC000355190611 387494489 /nfs/dbraw/zinc/49/44/89/387494489.db2.gz AHCVKTKNOFPOSY-NSHDSACASA-N 1 2 222.288 1.162 20 0 BDADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cscn1 ZINC000361568310 387495677 /nfs/dbraw/zinc/49/56/77/387495677.db2.gz WTTWFIXEWPZXTG-ONGXEEELSA-N 1 2 242.344 1.115 20 0 BDADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cscn1 ZINC000361568310 387495681 /nfs/dbraw/zinc/49/56/81/387495681.db2.gz WTTWFIXEWPZXTG-ONGXEEELSA-N 1 2 242.344 1.115 20 0 BDADLO C(=C/c1ccncc1)\C[N@@H+]1CCn2ncnc2C1 ZINC000426152998 387542937 /nfs/dbraw/zinc/54/29/37/387542937.db2.gz JWLZQTROCSKMOV-OWOJBTEDSA-N 1 2 241.298 1.202 20 0 BDADLO C(=C/c1ccncc1)\C[N@H+]1CCn2ncnc2C1 ZINC000426152998 387542945 /nfs/dbraw/zinc/54/29/45/387542945.db2.gz JWLZQTROCSKMOV-OWOJBTEDSA-N 1 2 241.298 1.202 20 0 BDADLO OCC1(CC[NH+]=c2[nH]c3ccccc3[nH]2)CC1 ZINC000395893144 387501743 /nfs/dbraw/zinc/50/17/43/387501743.db2.gz SGWHNGWTQXLDPJ-UHFFFAOYSA-N 1 2 231.299 1.559 20 0 BDADLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)ccn1 ZINC000516389499 387503636 /nfs/dbraw/zinc/50/36/36/387503636.db2.gz GMKTVNMJHWWGAW-UHFFFAOYSA-N 1 2 244.298 1.096 20 0 BDADLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCC1CC1)C2 ZINC000361593396 387508616 /nfs/dbraw/zinc/50/86/16/387508616.db2.gz HFSMXRGNCNCGEJ-UHFFFAOYSA-N 1 2 244.338 1.837 20 0 BDADLO Cc1ccc2c(c1)C[N@H+](CC(=O)NCC1CC1)C2 ZINC000361593396 387508619 /nfs/dbraw/zinc/50/86/19/387508619.db2.gz HFSMXRGNCNCGEJ-UHFFFAOYSA-N 1 2 244.338 1.837 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000355496486 387543591 /nfs/dbraw/zinc/54/35/91/387543591.db2.gz BXVUCLAKFMJZDE-RAIGVLPGSA-N 1 2 246.310 1.429 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2cncnc2)[nH]1 ZINC000375354814 387531381 /nfs/dbraw/zinc/53/13/81/387531381.db2.gz HPFDHSZHZFOJOS-LLVKDONJSA-N 1 2 229.287 1.537 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421896684 387470092 /nfs/dbraw/zinc/47/00/92/387470092.db2.gz UFXRAVHPBLHEBV-GWCFXTLKSA-N 1 2 233.315 1.709 20 0 BDADLO COC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000355051355 387470443 /nfs/dbraw/zinc/47/04/43/387470443.db2.gz NFFDUKTYCSBUJP-QWRGUYRKSA-N 1 2 243.347 1.733 20 0 BDADLO CO[C@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000336620327 387476450 /nfs/dbraw/zinc/47/64/50/387476450.db2.gz FRJOMPDYRTYUQR-JTQLQIEISA-N 1 2 249.289 1.938 20 0 BDADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@@H]1CCOC1 ZINC000355091021 387476910 /nfs/dbraw/zinc/47/69/10/387476910.db2.gz HYGYIDNKETTYFL-MRVPVSSYSA-N 1 2 235.262 1.335 20 0 BDADLO CS[C@@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374658397 387477528 /nfs/dbraw/zinc/47/75/28/387477528.db2.gz BIARLGCKCWEFIK-VIFPVBQESA-N 1 2 239.344 1.285 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000336623121 387478936 /nfs/dbraw/zinc/47/89/36/387478936.db2.gz AXJWOXQVSZCZQG-LBPRGKRZSA-N 1 2 245.330 1.752 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000336623121 387478944 /nfs/dbraw/zinc/47/89/44/387478944.db2.gz AXJWOXQVSZCZQG-LBPRGKRZSA-N 1 2 245.330 1.752 20 0 BDADLO COCc1cc(N[C@H](C)Cn2cc[nH+]c2)ncn1 ZINC000516206606 387479531 /nfs/dbraw/zinc/47/95/31/387479531.db2.gz OQPZTLNHJUAVRV-SNVBAGLBSA-N 1 2 247.302 1.320 20 0 BDADLO Cc1ccncc1C[NH2+][C@@H](C)c1ncnn1C ZINC000355107447 387481456 /nfs/dbraw/zinc/48/14/56/387481456.db2.gz CKPUGNXNDXRLMR-JTQLQIEISA-N 1 2 231.303 1.369 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)C1CC1)CC2 ZINC000374694675 387483646 /nfs/dbraw/zinc/48/36/46/387483646.db2.gz PYOIIIKBQRGUQD-SNVBAGLBSA-N 1 2 233.315 1.580 20 0 BDADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccsc1)CC2 ZINC000374710509 387485835 /nfs/dbraw/zinc/48/58/35/387485835.db2.gz NYXIXZVQADXNFK-UHFFFAOYSA-N 1 2 247.323 1.909 20 0 BDADLO Cc1nc(N2CC(n3ccnn3)C2)c(C)c(C)[nH+]1 ZINC000374773490 387489766 /nfs/dbraw/zinc/48/97/66/387489766.db2.gz AKTCYSZSQKQVLG-UHFFFAOYSA-N 1 2 244.302 1.055 20 0 BDADLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293348549 387587218 /nfs/dbraw/zinc/58/72/18/387587218.db2.gz ZDPJUYUDXBMICQ-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293348549 387587221 /nfs/dbraw/zinc/58/72/21/387587221.db2.gz ZDPJUYUDXBMICQ-SECBINFHSA-N 1 2 243.738 1.420 20 0 BDADLO CCOCC[NH+]1CC(O)(c2ccccc2)C1 ZINC000375843318 387588175 /nfs/dbraw/zinc/58/81/75/387588175.db2.gz XZBGOLQZAUWJIU-UHFFFAOYSA-N 1 2 221.300 1.226 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000528488695 387588580 /nfs/dbraw/zinc/58/85/80/387588580.db2.gz GLWDTNUXHQOFQH-JWNFGPPVSA-N 1 2 207.676 1.535 20 0 BDADLO C/C(Cl)=C/C[N@H+]1CC[C@@](F)(CO)C1 ZINC000528488695 387588582 /nfs/dbraw/zinc/58/85/82/387588582.db2.gz GLWDTNUXHQOFQH-JWNFGPPVSA-N 1 2 207.676 1.535 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)[nH]1 ZINC000428222844 387591872 /nfs/dbraw/zinc/59/18/72/387591872.db2.gz VETDMNLXJQXTMT-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](n3cccn3)C2)[nH]1 ZINC000428222844 387591876 /nfs/dbraw/zinc/59/18/76/387591876.db2.gz VETDMNLXJQXTMT-LLVKDONJSA-N 1 2 246.318 1.147 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCC(F)(F)F ZINC000362283692 387593237 /nfs/dbraw/zinc/59/32/37/387593237.db2.gz SBFNILYNSINUEW-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CCC(F)(F)F ZINC000362283692 387593242 /nfs/dbraw/zinc/59/32/42/387593242.db2.gz SBFNILYNSINUEW-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C/C(Cl)=C/C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528492278 387596162 /nfs/dbraw/zinc/59/61/62/387596162.db2.gz ZZBZQDVRGKXNQK-CGVAOTHFSA-N 1 2 217.696 1.229 20 0 BDADLO C/C(Cl)=C/C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528492278 387596166 /nfs/dbraw/zinc/59/61/66/387596166.db2.gz ZZBZQDVRGKXNQK-CGVAOTHFSA-N 1 2 217.696 1.229 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375941495 387597334 /nfs/dbraw/zinc/59/73/34/387597334.db2.gz LNYMLIBISINWDL-IJLUTSLNSA-N 1 2 247.342 1.782 20 0 BDADLO Cc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)nn1C ZINC000362564158 387629804 /nfs/dbraw/zinc/62/98/04/387629804.db2.gz HYZBSEFANHSCNP-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)nn1C ZINC000362564158 387629813 /nfs/dbraw/zinc/62/98/13/387629813.db2.gz HYZBSEFANHSCNP-ZDUSSCGKSA-N 1 2 235.331 1.339 20 0 BDADLO CCN1CC[N@H+](Cc2ccnc(C)c2)[C@H](C)C1=O ZINC000527540335 387611125 /nfs/dbraw/zinc/61/11/25/387611125.db2.gz XKKUOOGISRIJPC-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CCN1CC[N@@H+](Cc2ccnc(C)c2)[C@H](C)C1=O ZINC000527540335 387611132 /nfs/dbraw/zinc/61/11/32/387611132.db2.gz XKKUOOGISRIJPC-GFCCVEGCSA-N 1 2 247.342 1.443 20 0 BDADLO CC[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000362428450 387612509 /nfs/dbraw/zinc/61/25/09/387612509.db2.gz ACVMJENKXHYJOE-OAHLLOKOSA-N 1 2 240.250 1.714 20 0 BDADLO C[C@H](CC(F)(F)F)NC(=O)CCc1[nH]cc[nH+]1 ZINC000356151502 387622689 /nfs/dbraw/zinc/62/26/89/387622689.db2.gz YEWBUAMJJHIUJU-SSDOTTSWSA-N 1 2 249.236 1.799 20 0 BDADLO Cc1ccc(C[NH2+]Cc2ncnn2C)nc1C ZINC000313854894 387550853 /nfs/dbraw/zinc/55/08/53/387550853.db2.gz UEOQHIRAVUVFAZ-UHFFFAOYSA-N 1 2 231.303 1.117 20 0 BDADLO CC[C@H](O)C[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000426286284 387552441 /nfs/dbraw/zinc/55/24/41/387552441.db2.gz MQAGCMZXCYQRKT-RYUDHWBXSA-N 1 2 246.314 1.255 20 0 BDADLO CCCCCN(CC(N)=O)c1cc(C)[nH+]cn1 ZINC000355579377 387554160 /nfs/dbraw/zinc/55/41/60/387554160.db2.gz VMWLTVJMVFVRNT-UHFFFAOYSA-N 1 2 236.319 1.267 20 0 BDADLO CC(=O)Nc1cccc(NCc2[nH+]ccn2C)c1 ZINC000036804495 387554598 /nfs/dbraw/zinc/55/45/98/387554598.db2.gz NTAFKBOJDUKYIH-UHFFFAOYSA-N 1 2 244.298 1.991 20 0 BDADLO c1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)[nH]n1 ZINC000036900191 387558276 /nfs/dbraw/zinc/55/82/76/387558276.db2.gz SHUOIYCAJUNVDU-LLVKDONJSA-N 1 2 245.282 1.339 20 0 BDADLO COC(=O)[C@H](C)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000375697639 387569991 /nfs/dbraw/zinc/56/99/91/387569991.db2.gz MWWPISZYDRZITM-BDAKNGLRSA-N 1 2 239.275 1.016 20 0 BDADLO COC(=O)[C@H](C)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000375697639 387569993 /nfs/dbraw/zinc/56/99/93/387569993.db2.gz MWWPISZYDRZITM-BDAKNGLRSA-N 1 2 239.275 1.016 20 0 BDADLO c1coc(C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000355738743 387575648 /nfs/dbraw/zinc/57/56/48/387575648.db2.gz JGQCLHKKGMMDCT-UHFFFAOYSA-N 1 2 228.255 1.612 20 0 BDADLO COC(=O)CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121179283 387575877 /nfs/dbraw/zinc/57/58/77/387575877.db2.gz AUWYULPUZGAMEN-LLVKDONJSA-N 1 2 239.271 1.216 20 0 BDADLO COC(=O)CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121179283 387575881 /nfs/dbraw/zinc/57/58/81/387575881.db2.gz AUWYULPUZGAMEN-LLVKDONJSA-N 1 2 239.271 1.216 20 0 BDADLO CO[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000362122844 387576546 /nfs/dbraw/zinc/57/65/46/387576546.db2.gz AXKMTOMPOXLGTA-LLVKDONJSA-N 1 2 233.315 1.888 20 0 BDADLO CCN(CCOCCO)c1[nH]c2ccccc2[nH+]1 ZINC000283428895 387577150 /nfs/dbraw/zinc/57/71/50/387577150.db2.gz HCJLUKDVEQRYBJ-UHFFFAOYSA-N 1 2 249.314 1.398 20 0 BDADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000194290793 387653998 /nfs/dbraw/zinc/65/39/98/387653998.db2.gz ORLLHZRFXAVCFT-LLVKDONJSA-N 1 2 245.330 1.678 20 0 BDADLO CCC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000362949487 387676163 /nfs/dbraw/zinc/67/61/63/387676163.db2.gz PHAVPOLJXCLHAY-LLVKDONJSA-N 1 2 240.347 1.014 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356577157 387676944 /nfs/dbraw/zinc/67/69/44/387676944.db2.gz GBCPKOGGPPBPBR-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO CCC[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356577157 387676946 /nfs/dbraw/zinc/67/69/46/387676946.db2.gz GBCPKOGGPPBPBR-RYUDHWBXSA-N 1 2 242.363 1.260 20 0 BDADLO Cc1cc(C)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000362949016 387678026 /nfs/dbraw/zinc/67/80/26/387678026.db2.gz LMBBZAMPGUFIHT-SNVBAGLBSA-N 1 2 247.298 1.911 20 0 BDADLO Nc1ccc(NC(=O)[C@@H](O)C2CCCCC2)c[nH+]1 ZINC000422780366 387678190 /nfs/dbraw/zinc/67/81/90/387678190.db2.gz DBIUEHUEJJQRPD-LBPRGKRZSA-N 1 2 249.314 1.374 20 0 BDADLO CC[C@H](F)C[N@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000440711205 387679214 /nfs/dbraw/zinc/67/92/14/387679214.db2.gz IBRDDZBYQRVZAO-UWVGGRQHSA-N 1 2 239.356 1.490 20 0 BDADLO CC[C@H](F)C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000440711205 387679221 /nfs/dbraw/zinc/67/92/21/387679221.db2.gz IBRDDZBYQRVZAO-UWVGGRQHSA-N 1 2 239.356 1.490 20 0 BDADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ncccc1F ZINC000527826249 387746439 /nfs/dbraw/zinc/74/64/39/387746439.db2.gz JCNPNRKNAIITTL-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)[nH]1 ZINC000441355075 387748048 /nfs/dbraw/zinc/74/80/48/387748048.db2.gz XVFKNHOEPRAJOH-VHSXEESVSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)[nH]1 ZINC000441355075 387748050 /nfs/dbraw/zinc/74/80/50/387748050.db2.gz XVFKNHOEPRAJOH-VHSXEESVSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)[nH]1 ZINC000441355072 387749691 /nfs/dbraw/zinc/74/96/91/387749691.db2.gz XVFKNHOEPRAJOH-NXEZZACHSA-N 1 2 238.335 1.366 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)[nH]1 ZINC000441355072 387749697 /nfs/dbraw/zinc/74/96/97/387749697.db2.gz XVFKNHOEPRAJOH-NXEZZACHSA-N 1 2 238.335 1.366 20 0 BDADLO c1cn([C@H]2CCC[N@@H+](Cc3ccon3)C2)cn1 ZINC000377790176 387749846 /nfs/dbraw/zinc/74/98/46/387749846.db2.gz UMPJKZFTSUVATN-LBPRGKRZSA-N 1 2 232.287 1.708 20 0 BDADLO c1cn([C@H]2CCC[N@H+](Cc3ccon3)C2)cn1 ZINC000377790176 387749853 /nfs/dbraw/zinc/74/98/53/387749853.db2.gz UMPJKZFTSUVATN-LBPRGKRZSA-N 1 2 232.287 1.708 20 0 BDADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cnn(C)c2)o1 ZINC000356956987 387753747 /nfs/dbraw/zinc/75/37/47/387753747.db2.gz NFLAFAPVYFHALQ-SNVBAGLBSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000356956987 387753749 /nfs/dbraw/zinc/75/37/49/387753749.db2.gz NFLAFAPVYFHALQ-SNVBAGLBSA-N 1 2 234.303 1.910 20 0 BDADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cnn(C)c2)o1 ZINC000356956986 387754464 /nfs/dbraw/zinc/75/44/64/387754464.db2.gz NFLAFAPVYFHALQ-JTQLQIEISA-N 1 2 234.303 1.910 20 0 BDADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000356956986 387754469 /nfs/dbraw/zinc/75/44/69/387754469.db2.gz NFLAFAPVYFHALQ-JTQLQIEISA-N 1 2 234.303 1.910 20 0 BDADLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)C(=O)OC ZINC000452033074 387705196 /nfs/dbraw/zinc/70/51/96/387705196.db2.gz FLIWWEUDNAAAOZ-QJPTWQEYSA-N 1 2 243.347 1.875 20 0 BDADLO CCCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377330105 387710367 /nfs/dbraw/zinc/71/03/67/387710367.db2.gz KXAKSKCBJPPKJM-VIFPVBQESA-N 1 2 236.319 1.366 20 0 BDADLO CCCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377330105 387710372 /nfs/dbraw/zinc/71/03/72/387710372.db2.gz KXAKSKCBJPPKJM-VIFPVBQESA-N 1 2 236.319 1.366 20 0 BDADLO COCCc1noc(COc2cc[nH+]cc2)n1 ZINC000431508901 387713657 /nfs/dbraw/zinc/71/36/57/387713657.db2.gz MIGVCVBOIDZJPR-UHFFFAOYSA-N 1 2 235.243 1.233 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CC(=O)NCC1CCC1 ZINC000115575822 387724155 /nfs/dbraw/zinc/72/41/55/387724155.db2.gz LJFCBKRLSCXMMP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO CC[C@H]1COCC[N@H+]1CC(=O)NCC1CCC1 ZINC000115575822 387724161 /nfs/dbraw/zinc/72/41/61/387724161.db2.gz LJFCBKRLSCXMMP-LBPRGKRZSA-N 1 2 240.347 1.014 20 0 BDADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000527803520 387725294 /nfs/dbraw/zinc/72/52/94/387725294.db2.gz FZGBKQILTBXVSR-WYOJIJJFSA-N 1 2 209.293 1.311 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCOC[C@@H](C)C2)nn1 ZINC000377550763 387726161 /nfs/dbraw/zinc/72/61/61/387726161.db2.gz RKDOETLZTFVZGU-NSHDSACASA-N 1 2 238.335 1.327 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCOC[C@@H](C)C2)nn1 ZINC000377550763 387726169 /nfs/dbraw/zinc/72/61/69/387726169.db2.gz RKDOETLZTFVZGU-NSHDSACASA-N 1 2 238.335 1.327 20 0 BDADLO CC1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000127998207 387732092 /nfs/dbraw/zinc/73/20/92/387732092.db2.gz XFRYEXIJTGENIJ-GFCCVEGCSA-N 1 2 246.310 1.861 20 0 BDADLO Cc1cnn(C2C[NH+](Cc3c(C)cnn3C)C2)c1 ZINC000377702808 387739218 /nfs/dbraw/zinc/73/92/18/387739218.db2.gz PALYEDJNFAVTMM-UHFFFAOYSA-N 1 2 245.330 1.290 20 0 BDADLO c1nc([C@@H]2CCC[N@H+]2CCc2cccnc2)no1 ZINC000377676811 387739271 /nfs/dbraw/zinc/73/92/71/387739271.db2.gz KCEGMJVYESKUCY-LBPRGKRZSA-N 1 2 244.298 1.844 20 0 BDADLO c1nc([C@@H]2CCC[N@@H+]2CCc2cccnc2)no1 ZINC000377676811 387739277 /nfs/dbraw/zinc/73/92/77/387739277.db2.gz KCEGMJVYESKUCY-LBPRGKRZSA-N 1 2 244.298 1.844 20 0 BDADLO COCCCN(C)c1[nH+]cccc1OC ZINC000527870530 387739490 /nfs/dbraw/zinc/73/94/90/387739490.db2.gz SPXLKVPEVPWABB-UHFFFAOYSA-N 1 2 210.277 1.563 20 0 BDADLO COc1ccc[nH+]c1N1CCn2nc(C)nc2C1 ZINC000527910757 387764687 /nfs/dbraw/zinc/76/46/87/387764687.db2.gz GWMOQYOCTBSDSE-UHFFFAOYSA-N 1 2 245.286 1.010 20 0 BDADLO CCCN(CCO)c1cc[nH+]c2ccncc21 ZINC000432249557 387776739 /nfs/dbraw/zinc/77/67/39/387776739.db2.gz FXOZTHSALAHDJM-UHFFFAOYSA-N 1 2 231.299 1.839 20 0 BDADLO CCCCN(CC)C(=O)[C@H]([NH3+])c1cscn1 ZINC000422923335 387777262 /nfs/dbraw/zinc/77/72/62/387777262.db2.gz RSDZKGMKGQGGHZ-SNVBAGLBSA-N 1 2 241.360 1.792 20 0 BDADLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)o1 ZINC000378347020 387780182 /nfs/dbraw/zinc/78/01/82/387780182.db2.gz UFIOQFOFCFXMDM-JTQLQIEISA-N 1 2 236.271 1.224 20 0 BDADLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)o1 ZINC000378347020 387780185 /nfs/dbraw/zinc/78/01/85/387780185.db2.gz UFIOQFOFCFXMDM-JTQLQIEISA-N 1 2 236.271 1.224 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000527913543 387786379 /nfs/dbraw/zinc/78/63/79/387786379.db2.gz OXFKQWDYSPMQAH-VIFPVBQESA-N 1 2 247.298 1.265 20 0 BDADLO Cc1nc(CN2CCC[C@H]2c2[nH+]ccn2C)no1 ZINC000378459777 387787634 /nfs/dbraw/zinc/78/76/34/387787634.db2.gz HMYKBLCJXWLPQR-JTQLQIEISA-N 1 2 247.302 1.449 20 0 BDADLO O=c1[nH]c2cc(NCc3[nH]cc[nH+]3)ccc2o1 ZINC000049715368 387787718 /nfs/dbraw/zinc/78/77/18/387787718.db2.gz DENYYUIYNJVYIL-UHFFFAOYSA-N 1 2 230.227 1.456 20 0 BDADLO CC(C)(C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000422979278 387788482 /nfs/dbraw/zinc/78/84/82/387788482.db2.gz IYLOVTWWKJGSFU-SECBINFHSA-N 1 2 241.360 1.695 20 0 BDADLO CCn1nncc1C[NH2+][C@H](C)c1nccs1 ZINC000527921096 387790131 /nfs/dbraw/zinc/79/01/31/387790131.db2.gz UGCBQGFZIZEELC-MRVPVSSYSA-N 1 2 237.332 1.605 20 0 BDADLO CCO[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335102 387804958 /nfs/dbraw/zinc/80/49/58/387804958.db2.gz PDQGQQWYFKJNJN-VIFPVBQESA-N 1 2 237.303 1.583 20 0 BDADLO COC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000567288673 387807017 /nfs/dbraw/zinc/80/70/17/387807017.db2.gz WCEAGFHERMLBQE-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO COC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000567288673 387807022 /nfs/dbraw/zinc/80/70/22/387807022.db2.gz WCEAGFHERMLBQE-UWVGGRQHSA-N 1 2 239.319 1.082 20 0 BDADLO COc1ccc[nH+]c1NCCC1(C)OCCO1 ZINC000527960551 387810344 /nfs/dbraw/zinc/81/03/44/387810344.db2.gz BZVHBEXSOGGXMP-UHFFFAOYSA-N 1 2 238.287 1.655 20 0 BDADLO CCn1cc(CNc2cccc(CO)[nH+]2)cn1 ZINC000432731603 387810743 /nfs/dbraw/zinc/81/07/43/387810743.db2.gz QEIPNXMRKCAWGV-UHFFFAOYSA-N 1 2 232.287 1.402 20 0 BDADLO CCc1nc(C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000054316304 387826140 /nfs/dbraw/zinc/82/61/40/387826140.db2.gz WBXUXVXYAFYVDQ-VIFPVBQESA-N 1 2 209.293 1.864 20 0 BDADLO CCc1nc(C[N@H+]2CCC[C@H](C)C2)no1 ZINC000054316304 387826146 /nfs/dbraw/zinc/82/61/46/387826146.db2.gz WBXUXVXYAFYVDQ-VIFPVBQESA-N 1 2 209.293 1.864 20 0 BDADLO CCn1cccc(CNc2cccc[nH+]2)c1=O ZINC000432846497 387833004 /nfs/dbraw/zinc/83/30/04/387833004.db2.gz OINVKGDQQDGGBO-UHFFFAOYSA-N 1 2 229.283 1.875 20 0 BDADLO CC(C)CC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000442757301 387834975 /nfs/dbraw/zinc/83/49/75/387834975.db2.gz WWSOUXRYTBBZLG-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO CC[C@@H](NC(=O)c1c[nH]cc1C)c1[nH]cc[nH+]1 ZINC000442813440 387846264 /nfs/dbraw/zinc/84/62/64/387846264.db2.gz SICGZDBMYUPVNO-SNVBAGLBSA-N 1 2 232.287 1.927 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000528153957 387856167 /nfs/dbraw/zinc/85/61/67/387856167.db2.gz FKTFZQRPKUDXJA-LDWIPMOCSA-N 1 2 242.710 1.692 20 0 BDADLO CCO[C@@]1(C)C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000528153957 387856170 /nfs/dbraw/zinc/85/61/70/387856170.db2.gz FKTFZQRPKUDXJA-LDWIPMOCSA-N 1 2 242.710 1.692 20 0 BDADLO CC[C@H](C(=O)OC)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442886112 387857521 /nfs/dbraw/zinc/85/75/21/387857521.db2.gz PZQACZYBRHBSGN-SNVBAGLBSA-N 1 2 243.347 1.827 20 0 BDADLO COC(=O)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193867104 387866311 /nfs/dbraw/zinc/86/63/11/387866311.db2.gz OVYHAORPCLFCQL-SNVBAGLBSA-N 1 2 237.303 1.152 20 0 BDADLO COC(=O)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193867104 387866312 /nfs/dbraw/zinc/86/63/12/387866312.db2.gz OVYHAORPCLFCQL-SNVBAGLBSA-N 1 2 237.303 1.152 20 0 BDADLO CC/C=C\CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000452607782 387871681 /nfs/dbraw/zinc/87/16/81/387871681.db2.gz VXUHNAVXDRTKHQ-WAYWQWQTSA-N 1 2 240.347 1.180 20 0 BDADLO CC[NH+](CC)Cc1nc(C2CC2)nn1C ZINC000645771850 387895112 /nfs/dbraw/zinc/89/51/12/387895112.db2.gz KMHODAAVGJBWSE-UHFFFAOYSA-N 1 2 208.309 1.534 20 0 BDADLO C[C@@H]1CC[C@H](c2noc(CCn3cc[nH+]c3)n2)O1 ZINC000528245566 387876844 /nfs/dbraw/zinc/87/68/44/387876844.db2.gz TWBAUPBJSOEYKQ-NXEZZACHSA-N 1 2 248.286 1.749 20 0 BDADLO C[C@@H]1CC[C@@H](c2noc(Cc3c[nH+]cn3C)n2)O1 ZINC000528246414 387877477 /nfs/dbraw/zinc/87/74/77/387877477.db2.gz WOECZNNSOUGJOD-SCZZXKLOSA-N 1 2 248.286 1.634 20 0 BDADLO CCCC[N@H+](C)Cc1nnnn1C1CC1 ZINC000044070252 387919478 /nfs/dbraw/zinc/91/94/78/387919478.db2.gz JIMVFLQEOIIGKL-UHFFFAOYSA-N 1 2 209.297 1.240 20 0 BDADLO CCCC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000044070252 387919480 /nfs/dbraw/zinc/91/94/80/387919480.db2.gz JIMVFLQEOIIGKL-UHFFFAOYSA-N 1 2 209.297 1.240 20 0 BDADLO C[N@H+](Cc1coc(S(C)(=O)=O)c1)C1CC1 ZINC000528348086 387905453 /nfs/dbraw/zinc/90/54/53/387905453.db2.gz BZYXTQULCVNESP-UHFFFAOYSA-N 1 2 229.301 1.277 20 0 BDADLO C[N@@H+](Cc1coc(S(C)(=O)=O)c1)C1CC1 ZINC000528348086 387905459 /nfs/dbraw/zinc/90/54/59/387905459.db2.gz BZYXTQULCVNESP-UHFFFAOYSA-N 1 2 229.301 1.277 20 0 BDADLO COCC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000528353685 387907595 /nfs/dbraw/zinc/90/75/95/387907595.db2.gz MYQBFSHRSPGOPU-UHFFFAOYSA-N 1 2 227.333 1.494 20 0 BDADLO COCC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000528353685 387907600 /nfs/dbraw/zinc/90/76/00/387907600.db2.gz MYQBFSHRSPGOPU-UHFFFAOYSA-N 1 2 227.333 1.494 20 0 BDADLO CC(C)[N@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000528354594 387908732 /nfs/dbraw/zinc/90/87/32/387908732.db2.gz QSSLFSDJBFOZGR-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO CC(C)[N@@H+](CCO)Cc1nnc(C2CC2)s1 ZINC000528354594 387908738 /nfs/dbraw/zinc/90/87/38/387908738.db2.gz QSSLFSDJBFOZGR-UHFFFAOYSA-N 1 2 241.360 1.618 20 0 BDADLO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000444701110 387912929 /nfs/dbraw/zinc/91/29/29/387912929.db2.gz HHSFAYILVHOJTA-VIFPVBQESA-N 1 2 249.318 1.313 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncn2C)[C@H](C)[C@H](C)O1 ZINC000438377958 387931802 /nfs/dbraw/zinc/93/18/02/387931802.db2.gz VRBRMEYRDSPZRI-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncn2C)[C@H](C)[C@H](C)O1 ZINC000438377958 387931807 /nfs/dbraw/zinc/93/18/07/387931807.db2.gz VRBRMEYRDSPZRI-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1CN(Cc2c[nH+]cn2C)[C@H](C)[C@H](C)O1 ZINC000438377958 387931812 /nfs/dbraw/zinc/93/18/12/387931812.db2.gz VRBRMEYRDSPZRI-MXWKQRLJSA-N 1 2 223.320 1.418 20 0 BDADLO COc1cnccc1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000438468434 387936429 /nfs/dbraw/zinc/93/64/29/387936429.db2.gz XFDYRQRGHKUCIC-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO CC(C)n1cnnc1C[N@H+](C)CCCF ZINC000429290879 387951979 /nfs/dbraw/zinc/95/19/79/387951979.db2.gz FJJLUFOUZKBDMR-UHFFFAOYSA-N 1 2 214.288 1.650 20 0 BDADLO CC(C)n1cnnc1C[N@@H+](C)CCCF ZINC000429290879 387951985 /nfs/dbraw/zinc/95/19/85/387951985.db2.gz FJJLUFOUZKBDMR-UHFFFAOYSA-N 1 2 214.288 1.650 20 0 BDADLO COCCOC1C[NH+](Cc2cccs2)C1 ZINC000459453278 387944008 /nfs/dbraw/zinc/94/40/08/387944008.db2.gz ASKFJBBRZJWQCB-UHFFFAOYSA-N 1 2 227.329 1.595 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC[C@H]1CCOC1 ZINC000645880598 387958590 /nfs/dbraw/zinc/95/85/90/387958590.db2.gz SEDVJBMQWKGYOU-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC[C@H]1CCOC1 ZINC000645880598 387958593 /nfs/dbraw/zinc/95/85/93/387958593.db2.gz SEDVJBMQWKGYOU-WDEREUQCSA-N 1 2 249.301 1.505 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453013590 387959957 /nfs/dbraw/zinc/95/99/57/387959957.db2.gz KECWLKURQAGPII-MNOVXSKESA-N 1 2 237.347 1.574 20 0 BDADLO CC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000453013590 387959960 /nfs/dbraw/zinc/95/99/60/387959960.db2.gz KECWLKURQAGPII-MNOVXSKESA-N 1 2 237.347 1.574 20 0 BDADLO O=C(NCCCNc1cccc[nH+]1)NCC1CC1 ZINC000045458736 387987380 /nfs/dbraw/zinc/98/73/80/387987380.db2.gz QPJGQADGCOLMBU-UHFFFAOYSA-N 1 2 248.330 1.593 20 0 BDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)[C@H]1C ZINC000446060420 387988558 /nfs/dbraw/zinc/98/85/58/387988558.db2.gz IJVHSMQXUUJZOK-UTUOFQBUSA-N 1 2 242.363 1.351 20 0 BDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)[C@H]1C ZINC000446060420 387988561 /nfs/dbraw/zinc/98/85/61/387988561.db2.gz IJVHSMQXUUJZOK-UTUOFQBUSA-N 1 2 242.363 1.351 20 0 BDADLO CCCCc1noc([C@@H](C)[N@H+](C)C[C@H](C)O)n1 ZINC000245793180 387983531 /nfs/dbraw/zinc/98/35/31/387983531.db2.gz OETGGEOAHLYSSX-VHSXEESVSA-N 1 2 241.335 1.786 20 0 BDADLO CCCCc1noc([C@@H](C)[N@@H+](C)C[C@H](C)O)n1 ZINC000245793180 387983536 /nfs/dbraw/zinc/98/35/36/387983536.db2.gz OETGGEOAHLYSSX-VHSXEESVSA-N 1 2 241.335 1.786 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548096609 387985803 /nfs/dbraw/zinc/98/58/03/387985803.db2.gz AGPSWVANQZAXHE-JFGNBEQYSA-N 1 2 234.299 1.778 20 0 BDADLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548096609 387985807 /nfs/dbraw/zinc/98/58/07/387985807.db2.gz AGPSWVANQZAXHE-JFGNBEQYSA-N 1 2 234.299 1.778 20 0 BDADLO NC(=O)[C@H]1CC[C@H](CNc2cccc[nH+]2)CC1 ZINC000420608898 388005196 /nfs/dbraw/zinc/00/51/96/388005196.db2.gz IARBJWYBLIMEGX-XYPYZODXSA-N 1 2 233.315 1.785 20 0 BDADLO Cn1c[nH+]cc1Cn1cnc2ccccc2c1=O ZINC000439553558 388009278 /nfs/dbraw/zinc/00/92/78/388009278.db2.gz XYGJXNAZGYGBOV-UHFFFAOYSA-N 1 2 240.266 1.178 20 0 BDADLO Cn1c[nH+]cc1Cn1ccc2ccccc2c1=O ZINC000439545745 388009310 /nfs/dbraw/zinc/00/93/10/388009310.db2.gz GRLOFNBGTCRLTO-UHFFFAOYSA-N 1 2 239.278 1.783 20 0 BDADLO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446081703 387996715 /nfs/dbraw/zinc/99/67/15/387996715.db2.gz WPWYGQXZIBSTQS-SRVKXCTJSA-N 1 2 242.363 1.256 20 0 BDADLO CC(C)CNC(=O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446081703 387996721 /nfs/dbraw/zinc/99/67/21/387996721.db2.gz WPWYGQXZIBSTQS-SRVKXCTJSA-N 1 2 242.363 1.256 20 0 BDADLO CC(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000082254490 388017776 /nfs/dbraw/zinc/01/77/76/388017776.db2.gz DIJUZZJPPYLJGR-NSHDSACASA-N 1 2 233.315 1.307 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000440520799 388051091 /nfs/dbraw/zinc/05/10/91/388051091.db2.gz QGRAVAQYFKTZIT-VWYCJHECSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000440520799 388051094 /nfs/dbraw/zinc/05/10/94/388051094.db2.gz QGRAVAQYFKTZIT-VWYCJHECSA-N 1 2 219.300 1.206 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000440522959 388051834 /nfs/dbraw/zinc/05/18/34/388051834.db2.gz XGVUFAJKMMDZIE-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000440522959 388051838 /nfs/dbraw/zinc/05/18/38/388051838.db2.gz XGVUFAJKMMDZIE-MNOVXSKESA-N 1 2 230.327 1.581 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000440537725 388052550 /nfs/dbraw/zinc/05/25/50/388052550.db2.gz ZDXMBZPUSKOLOL-ISTVAULSSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000440537725 388052553 /nfs/dbraw/zinc/05/25/53/388052553.db2.gz ZDXMBZPUSKOLOL-ISTVAULSSA-N 1 2 221.341 1.577 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CCCN(CC)CC1 ZINC000440699745 388069964 /nfs/dbraw/zinc/06/99/64/388069964.db2.gz UOVRVCXOYSUUBP-LLVKDONJSA-N 1 2 202.317 1.762 20 0 BDADLO CC[C@@H](F)C[N@H+]1CCCN(CC)CC1 ZINC000440699745 388069967 /nfs/dbraw/zinc/06/99/67/388069967.db2.gz UOVRVCXOYSUUBP-LLVKDONJSA-N 1 2 202.317 1.762 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(C)C ZINC000454131841 388099914 /nfs/dbraw/zinc/09/99/14/388099914.db2.gz DUUPIVXDBRVORK-JTQLQIEISA-N 1 2 238.335 1.919 20 0 BDADLO CC[C@H](F)C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000440496413 388045156 /nfs/dbraw/zinc/04/51/56/388045156.db2.gz ONWTTYNAWZPMJL-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@H](F)C[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000440496413 388045159 /nfs/dbraw/zinc/04/51/59/388045159.db2.gz ONWTTYNAWZPMJL-UWVGGRQHSA-N 1 2 237.340 1.244 20 0 BDADLO CC[C@H](F)C[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000440512762 388049025 /nfs/dbraw/zinc/04/90/25/388049025.db2.gz IONLZUMBLHVHFM-DCAQKATOSA-N 1 2 247.310 1.387 20 0 BDADLO CC[C@H](F)C[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000440512762 388049026 /nfs/dbraw/zinc/04/90/26/388049026.db2.gz IONLZUMBLHVHFM-DCAQKATOSA-N 1 2 247.310 1.387 20 0 BDADLO COC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C(=O)OC ZINC000449275656 388165269 /nfs/dbraw/zinc/16/52/69/388165269.db2.gz NWHBQLVQWPYHCF-NXEZZACHSA-N 1 2 231.336 1.589 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H](C)O ZINC000488537862 388185481 /nfs/dbraw/zinc/18/54/81/388185481.db2.gz RCHJPVSCQXECLM-MWLCHTKSSA-N 1 2 241.331 1.221 20 0 BDADLO Cc1nc(N[C@@H](C2CC2)C2CCC2)nc(N)[nH+]1 ZINC000324878680 388125526 /nfs/dbraw/zinc/12/55/26/388125526.db2.gz JWOWGBAOIYFCOL-SNVBAGLBSA-N 1 2 233.319 1.753 20 0 BDADLO Cc1nc(N)nc(N[C@@H](C2CC2)C2CCC2)[nH+]1 ZINC000324878680 388125528 /nfs/dbraw/zinc/12/55/28/388125528.db2.gz JWOWGBAOIYFCOL-SNVBAGLBSA-N 1 2 233.319 1.753 20 0 BDADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCC[C@H]1F ZINC000454610574 388125878 /nfs/dbraw/zinc/12/58/78/388125878.db2.gz GXOXYBNRALRVOT-ZJUUUORDSA-N 1 2 240.282 1.073 20 0 BDADLO CC[C@H](NC(=O)NCCn1cc[nH+]c1)C(F)F ZINC000454622313 388125898 /nfs/dbraw/zinc/12/58/98/388125898.db2.gz RBMLVTQIDNMYDB-QMMMGPOBSA-N 1 2 246.261 1.226 20 0 BDADLO CC[N@H+](CC(=O)OC)Cc1cc2cccnc2o1 ZINC000449024064 388132140 /nfs/dbraw/zinc/13/21/40/388132140.db2.gz XQHRIYSHUJYXCL-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO CC[N@@H+](CC(=O)OC)Cc1cc2cccnc2o1 ZINC000449024064 388132141 /nfs/dbraw/zinc/13/21/41/388132141.db2.gz XQHRIYSHUJYXCL-UHFFFAOYSA-N 1 2 248.282 1.823 20 0 BDADLO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000164796423 388248627 /nfs/dbraw/zinc/24/86/27/388248627.db2.gz FOPZPPIBSVQHHO-MNOVXSKESA-N 1 2 209.293 1.050 20 0 BDADLO CC[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449653779 388248780 /nfs/dbraw/zinc/24/87/80/388248780.db2.gz SZTYZSCSCVQYCA-RKDXNWHRSA-N 1 2 234.290 1.394 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449664420 388250112 /nfs/dbraw/zinc/25/01/12/388250112.db2.gz LIWMDGLZNRRKGI-UKKRHICBSA-N 1 2 229.320 1.482 20 0 BDADLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449664419 388250478 /nfs/dbraw/zinc/25/04/78/388250478.db2.gz LIWMDGLZNRRKGI-LMLFDSFASA-N 1 2 229.320 1.482 20 0 BDADLO COC(=O)c1cc(C[N@@H+]2CC[C@@H](F)C2)oc1C ZINC000449398844 388194345 /nfs/dbraw/zinc/19/43/45/388194345.db2.gz ZCXGRMODESBDDK-SECBINFHSA-N 1 2 241.262 1.918 20 0 BDADLO COC(=O)c1cc(C[N@H+]2CC[C@@H](F)C2)oc1C ZINC000449398844 388194347 /nfs/dbraw/zinc/19/43/47/388194347.db2.gz ZCXGRMODESBDDK-SECBINFHSA-N 1 2 241.262 1.918 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[C@H]1C(C)C ZINC000456326850 388194727 /nfs/dbraw/zinc/19/47/27/388194727.db2.gz XFHIJHMJUJJQAS-QWRGUYRKSA-N 1 2 235.331 1.669 20 0 BDADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[C@H]1C(C)C ZINC000456326850 388194731 /nfs/dbraw/zinc/19/47/31/388194731.db2.gz XFHIJHMJUJJQAS-QWRGUYRKSA-N 1 2 235.331 1.669 20 0 BDADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccncc1 ZINC000456352434 388196641 /nfs/dbraw/zinc/19/66/41/388196641.db2.gz NCTQPHXHHMFXFA-JTQLQIEISA-N 1 2 244.298 1.789 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](O)C(C)C ZINC000456365633 388197832 /nfs/dbraw/zinc/19/78/32/388197832.db2.gz VZJVEHNJTXHCFA-ZJUUUORDSA-N 1 2 239.319 1.097 20 0 BDADLO CCCOCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456404317 388199582 /nfs/dbraw/zinc/19/95/82/388199582.db2.gz XEYQVNTVWDORBC-JTQLQIEISA-N 1 2 239.319 1.507 20 0 BDADLO CCN(Cc1[nH+]ccn1CC)C1COC1 ZINC000449422768 388200545 /nfs/dbraw/zinc/20/05/45/388200545.db2.gz FINQHBPUSOOOJO-UHFFFAOYSA-N 1 2 209.293 1.124 20 0 BDADLO CC[N@H+](Cc1cccc(C(N)=O)c1)C1COC1 ZINC000449429073 388203980 /nfs/dbraw/zinc/20/39/80/388203980.db2.gz WKZZKQJIEXYKFP-UHFFFAOYSA-N 1 2 234.299 1.006 20 0 BDADLO CC[N@@H+](Cc1cccc(C(N)=O)c1)C1COC1 ZINC000449429073 388203981 /nfs/dbraw/zinc/20/39/81/388203981.db2.gz WKZZKQJIEXYKFP-UHFFFAOYSA-N 1 2 234.299 1.006 20 0 BDADLO Cn1c(C[N@H+](C)[C@@H]2CC2(C)C)nnc1C1CC1 ZINC000489449675 388214651 /nfs/dbraw/zinc/21/46/51/388214651.db2.gz UXEXIIIYNUWJMI-SNVBAGLBSA-N 1 2 234.347 1.923 20 0 BDADLO Cn1c(C[N@@H+](C)[C@@H]2CC2(C)C)nnc1C1CC1 ZINC000489449675 388214653 /nfs/dbraw/zinc/21/46/53/388214653.db2.gz UXEXIIIYNUWJMI-SNVBAGLBSA-N 1 2 234.347 1.923 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CC2(C)C)o1 ZINC000489445571 388215219 /nfs/dbraw/zinc/21/52/19/388215219.db2.gz MDBYWTIAGXVKFG-MRVPVSSYSA-N 1 2 209.293 1.862 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CC2(C)C)o1 ZINC000489445571 388215220 /nfs/dbraw/zinc/21/52/20/388215220.db2.gz MDBYWTIAGXVKFG-MRVPVSSYSA-N 1 2 209.293 1.862 20 0 BDADLO Cc1cc(C)c(CNC(=O)CC(C)(C)O)c[nH+]1 ZINC000456841203 388226699 /nfs/dbraw/zinc/22/66/99/388226699.db2.gz OJYGTWIYNONAKI-UHFFFAOYSA-N 1 2 236.315 1.476 20 0 BDADLO O[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CC12CC2 ZINC000489891384 388227407 /nfs/dbraw/zinc/22/74/07/388227407.db2.gz UFWCCODAGOYYPZ-JTQLQIEISA-N 1 2 231.299 1.315 20 0 BDADLO CCOC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000489894251 388227701 /nfs/dbraw/zinc/22/77/01/388227701.db2.gz IGGSVTGBWLIWER-JTQLQIEISA-N 1 2 249.358 1.923 20 0 BDADLO Cc1cc(C)c(CNC(=O)C[C@@H]2CCCO2)c[nH+]1 ZINC000456867509 388228902 /nfs/dbraw/zinc/22/89/02/388228902.db2.gz WIDGAMNFKJJMPA-ZDUSSCGKSA-N 1 2 248.326 1.884 20 0 BDADLO Cc1cc(N2C[C@H](O)C3(CC3)C2)nc(C(C)C)[nH+]1 ZINC000489939669 388229215 /nfs/dbraw/zinc/22/92/15/388229215.db2.gz RSLOEVRUGAJXCO-NSHDSACASA-N 1 2 247.342 1.870 20 0 BDADLO Cc1nc(N2CC[C@@H]3CCC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000490037308 388231312 /nfs/dbraw/zinc/23/13/12/388231312.db2.gz XYCURZIWAVPVCC-QWRGUYRKSA-N 1 2 247.346 1.625 20 0 BDADLO Cc1nc(N(C)C)nc(N2CC[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000490037308 388231313 /nfs/dbraw/zinc/23/13/13/388231313.db2.gz XYCURZIWAVPVCC-QWRGUYRKSA-N 1 2 247.346 1.625 20 0 BDADLO CC[C@@]1(O)CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000490077771 388233513 /nfs/dbraw/zinc/23/35/13/388233513.db2.gz SKZIFEPRAYQVQR-CYBMUJFWSA-N 1 2 246.314 1.618 20 0 BDADLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)ccn1 ZINC000291086582 177766538 /nfs/dbraw/zinc/76/65/38/177766538.db2.gz KIUZBLPPLASAQJ-UHFFFAOYSA-N 1 2 242.282 1.243 20 0 BDADLO CSCCN(C)c1nc(C)[nH+]c(N(C)C)n1 ZINC000490100866 388235448 /nfs/dbraw/zinc/23/54/48/388235448.db2.gz QLAHZDVEWZLYPT-UHFFFAOYSA-N 1 2 241.364 1.045 20 0 BDADLO CSCCN(C)c1nc(N(C)C)nc(C)[nH+]1 ZINC000490100866 388235450 /nfs/dbraw/zinc/23/54/50/388235450.db2.gz QLAHZDVEWZLYPT-UHFFFAOYSA-N 1 2 241.364 1.045 20 0 BDADLO Cc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)no1 ZINC000459425114 388243217 /nfs/dbraw/zinc/24/32/17/388243217.db2.gz RCAZHFZAMRNSJT-XXILOJSOSA-N 1 2 249.314 1.082 20 0 BDADLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000449626594 388245533 /nfs/dbraw/zinc/24/55/33/388245533.db2.gz DPEXIAGFDMHGSE-IUCAKERBSA-N 1 2 239.331 1.687 20 0 BDADLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCSC1 ZINC000449626594 388245535 /nfs/dbraw/zinc/24/55/35/388245535.db2.gz DPEXIAGFDMHGSE-IUCAKERBSA-N 1 2 239.331 1.687 20 0 BDADLO COC(=O)[C@H]([NH2+]C1CC(C(C)(C)C)C1)[C@H](C)O ZINC000459514106 388246068 /nfs/dbraw/zinc/24/60/68/388246068.db2.gz RYXCYTRVPKLCSA-IDWGSYCQSA-N 1 2 243.347 1.323 20 0 BDADLO CCCCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449649157 388248376 /nfs/dbraw/zinc/24/83/76/388248376.db2.gz VOBYISSFUVNROS-JTQLQIEISA-N 1 2 248.317 1.928 20 0 BDADLO CC(C)c1noc(C[NH2+][C@@H]2COCC2(C)C)n1 ZINC000451820720 388298345 /nfs/dbraw/zinc/29/83/45/388298345.db2.gz BGLKKYXQSAAEMM-SECBINFHSA-N 1 2 239.319 1.708 20 0 BDADLO Cc1cc(C[NH2+]Cc2cnc(N(C)C)nc2)no1 ZINC000520961235 256597575 /nfs/dbraw/zinc/59/75/75/256597575.db2.gz GFEFHYNLPJVBSO-UHFFFAOYSA-N 1 2 247.302 1.129 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)[nH]1 ZINC000451454009 388275009 /nfs/dbraw/zinc/27/50/09/388275009.db2.gz JEFWEGOATKBSHX-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](O)[C@@H]2C)[nH]1 ZINC000451454009 388275011 /nfs/dbraw/zinc/27/50/11/388275011.db2.gz JEFWEGOATKBSHX-UWVGGRQHSA-N 1 2 238.335 1.273 20 0 BDADLO O=C(/C=C/c1ccncc1)NCCn1cc[nH+]c1 ZINC000491186987 388275727 /nfs/dbraw/zinc/27/57/27/388275727.db2.gz QSNRNDAYDVYGRS-OWOJBTEDSA-N 1 2 242.282 1.108 20 0 BDADLO CCc1nc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)no1 ZINC000451489315 388277321 /nfs/dbraw/zinc/27/73/21/388277321.db2.gz HHMMXSYQICDZLI-BDAKNGLRSA-N 1 2 239.319 1.535 20 0 BDADLO CC[C@H]1C(=O)N(CC)CCN1c1cc(C)[nH+]cn1 ZINC000491233561 388278747 /nfs/dbraw/zinc/27/87/47/388278747.db2.gz BQVJVZSADWTNJL-NSHDSACASA-N 1 2 248.330 1.232 20 0 BDADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CC(F)F ZINC000492294790 388340734 /nfs/dbraw/zinc/34/07/34/388340734.db2.gz JXAYYNYHCUTZPE-PLNGDYQASA-N 1 2 243.257 1.640 20 0 BDADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1ncn(C)n1 ZINC000275851126 388345832 /nfs/dbraw/zinc/34/58/32/388345832.db2.gz ROHJASRVQSLKTM-VIFPVBQESA-N 1 2 234.278 1.805 20 0 BDADLO Cc1cc(CCNc2cc[nH+]c(C(C)C)n2)on1 ZINC000572997427 388404444 /nfs/dbraw/zinc/40/44/44/388404444.db2.gz SKGDPOBLDRBJST-UHFFFAOYSA-N 1 2 246.314 1.973 20 0 BDADLO CC(C)c1noc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000251690565 388348651 /nfs/dbraw/zinc/34/86/51/388348651.db2.gz OZEGHCSUXDJTKJ-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO CC(C)c1noc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1 ZINC000251690565 388348654 /nfs/dbraw/zinc/34/86/54/388348654.db2.gz OZEGHCSUXDJTKJ-NXEZZACHSA-N 1 2 239.319 1.396 20 0 BDADLO C[C@@H](O)C[C@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000277690851 388354258 /nfs/dbraw/zinc/35/42/58/388354258.db2.gz FVIYEQCLODZXLH-NKWVEPMBSA-N 1 2 244.726 1.531 20 0 BDADLO C[C@@H](O)C[C@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000277690851 388354261 /nfs/dbraw/zinc/35/42/61/388354261.db2.gz FVIYEQCLODZXLH-NKWVEPMBSA-N 1 2 244.726 1.531 20 0 BDADLO CSCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524400911 388358330 /nfs/dbraw/zinc/35/83/30/388358330.db2.gz ZQXMZYVYBFCWJF-UHFFFAOYSA-N 1 2 225.317 1.020 20 0 BDADLO Cc1nnc(N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000290606723 388368477 /nfs/dbraw/zinc/36/84/77/388368477.db2.gz ZSJLUXWDECKPLE-SSDOTTSWSA-N 1 2 207.237 1.075 20 0 BDADLO Nc1[nH+]cnc(N2CCCSCC2)c1Cl ZINC000227848681 388371706 /nfs/dbraw/zinc/37/17/06/388371706.db2.gz SMCBBBZVWFZWNL-UHFFFAOYSA-N 1 2 244.751 1.656 20 0 BDADLO Nc1nc[nH+]c(N2CCCSCC2)c1Cl ZINC000227848681 388371709 /nfs/dbraw/zinc/37/17/09/388371709.db2.gz SMCBBBZVWFZWNL-UHFFFAOYSA-N 1 2 244.751 1.656 20 0 BDADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)[C@H](CO)C1 ZINC000519425520 256648452 /nfs/dbraw/zinc/64/84/52/256648452.db2.gz USFLQLWBEZMWQI-KOLCDFICSA-N 1 2 221.304 1.158 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2ncoc2C)[nH+]1 ZINC000572773856 388374538 /nfs/dbraw/zinc/37/45/38/388374538.db2.gz JPGDAVFQZLHTDP-UHFFFAOYSA-N 1 2 248.286 1.680 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(O)c1 ZINC000572812158 388377937 /nfs/dbraw/zinc/37/79/37/388377937.db2.gz VGIKMNLYUAJVLU-GFCCVEGCSA-N 1 2 237.299 1.776 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(O)c1 ZINC000572812158 388377939 /nfs/dbraw/zinc/37/79/39/388377939.db2.gz VGIKMNLYUAJVLU-GFCCVEGCSA-N 1 2 237.299 1.776 20 0 BDADLO CCO[C@@H](CC)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000572821397 388379033 /nfs/dbraw/zinc/37/90/33/388379033.db2.gz HUXBBABEJZRCMP-UWVGGRQHSA-N 1 2 239.319 1.792 20 0 BDADLO Cn1ncc(CCCNc2cccc[nH+]2)n1 ZINC000292896531 388384703 /nfs/dbraw/zinc/38/47/03/388384703.db2.gz WGSRRPDWTWRLHR-UHFFFAOYSA-N 1 2 217.276 1.255 20 0 BDADLO CCC[C@H]([NH3+])C(=O)Nc1ccnn1CCC ZINC000236942828 388386663 /nfs/dbraw/zinc/38/66/63/388386663.db2.gz MRMMENZXZRPHET-VIFPVBQESA-N 1 2 224.308 1.359 20 0 BDADLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/C1CCC1 ZINC000492085049 388334268 /nfs/dbraw/zinc/33/42/68/388334268.db2.gz KHZYCLGXWAHRBN-VOTSOKGWSA-N 1 2 233.315 1.735 20 0 BDADLO CC[C@](C)(CNc1[nH+]cnc2c1cnn2C)OC ZINC000322751515 388446231 /nfs/dbraw/zinc/44/62/31/388446231.db2.gz DLZXIXCZGPRUTR-GFCCVEGCSA-N 1 2 249.318 1.590 20 0 BDADLO CC[C@H]([NH2+]CCc1ncccc1C)C(=O)OC ZINC000404942414 388447034 /nfs/dbraw/zinc/44/70/34/388447034.db2.gz SSRUFJYLZQCFFN-NSHDSACASA-N 1 2 236.315 1.474 20 0 BDADLO Cc1cccc(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990441 388461000 /nfs/dbraw/zinc/46/10/00/388461000.db2.gz IBVJZXMKHUZATA-UHFFFAOYSA-N 1 2 229.283 1.577 20 0 BDADLO CCC[C@H]([NH2+]CCSCC)C(=O)OC ZINC000336670940 388461071 /nfs/dbraw/zinc/46/10/71/388461071.db2.gz YNURODCDGHFIJI-VIFPVBQESA-N 1 2 219.350 1.671 20 0 BDADLO c1cc(N[C@H]2[C@@H]3COC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000309691495 388461190 /nfs/dbraw/zinc/46/11/90/388461190.db2.gz PWYAZGYSMGKNBZ-JZYVYDRUSA-N 1 2 217.272 1.411 20 0 BDADLO CC/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649226262 388462654 /nfs/dbraw/zinc/46/26/54/388462654.db2.gz JJVGLANJWCKLLM-PGLGOXFNSA-N 1 2 233.315 1.528 20 0 BDADLO c1cnc(NCCNc2cccc[nH+]2)nc1 ZINC000336695072 388463864 /nfs/dbraw/zinc/46/38/64/388463864.db2.gz YEURTSYCGAUEHG-UHFFFAOYSA-N 1 2 215.260 1.396 20 0 BDADLO Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)n[nH]1 ZINC000169931504 388467185 /nfs/dbraw/zinc/46/71/85/388467185.db2.gz BIMKDZZITPPTSB-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC[C@H]([NH2+]Cc1n[nH]c2ccccc12)C(=O)NC ZINC000648864750 388474466 /nfs/dbraw/zinc/47/44/66/388474466.db2.gz SGSFIBUWMCPCMS-JTQLQIEISA-N 1 2 246.314 1.177 20 0 BDADLO C[C@H](CCCCO)Nc1nc[nH+]c(N)c1Cl ZINC000296391255 388422487 /nfs/dbraw/zinc/42/24/87/388422487.db2.gz UZQDAOGPSXZQQX-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO C[C@H](CCCCO)Nc1[nH+]cnc(N)c1Cl ZINC000296391255 388422488 /nfs/dbraw/zinc/42/24/88/388422488.db2.gz UZQDAOGPSXZQQX-SSDOTTSWSA-N 1 2 244.726 1.675 20 0 BDADLO CCc1ccc(C[NH+]2CC(O)(COC)C2)cc1 ZINC000297464842 388429346 /nfs/dbraw/zinc/42/93/46/388429346.db2.gz RXHQCSBFTLQIFL-UHFFFAOYSA-N 1 2 235.327 1.442 20 0 BDADLO Cc1ccn(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573232112 388433546 /nfs/dbraw/zinc/43/35/46/388433546.db2.gz XQBDJYZPYIYEQP-SECBINFHSA-N 1 2 232.287 1.548 20 0 BDADLO C/C(Cl)=C\C[N@H+](C1CC1)C1COC1 ZINC000528514679 388540231 /nfs/dbraw/zinc/54/02/31/388540231.db2.gz YYYJUJCIQVDJAP-XBXARRHUSA-N 1 2 201.697 1.992 20 0 BDADLO C/C(Cl)=C\C[N@@H+](C1CC1)C1COC1 ZINC000528514679 388540232 /nfs/dbraw/zinc/54/02/32/388540232.db2.gz YYYJUJCIQVDJAP-XBXARRHUSA-N 1 2 201.697 1.992 20 0 BDADLO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1 ZINC000548488378 388543276 /nfs/dbraw/zinc/54/32/76/388543276.db2.gz VJCFFNCMNWFQDL-ZJUUUORDSA-N 1 2 238.335 1.959 20 0 BDADLO O=C([C@H]1CCCC12CC2)N1CC(n2cc[nH+]c2)C1 ZINC000528569039 388546801 /nfs/dbraw/zinc/54/68/01/388546801.db2.gz MYDDVJTTXSOTJW-GFCCVEGCSA-N 1 2 245.326 1.847 20 0 BDADLO C[N@H+](CCC1CC1)Cc1cc(=O)n2[nH]ccc2n1 ZINC000135304769 388490536 /nfs/dbraw/zinc/49/05/36/388490536.db2.gz VXBNMLUQJLCATD-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO C[N@@H+](CCC1CC1)Cc1cc(=O)n2[nH]ccc2n1 ZINC000135304769 388490538 /nfs/dbraw/zinc/49/05/38/388490538.db2.gz VXBNMLUQJLCATD-UHFFFAOYSA-N 1 2 246.314 1.255 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000547999803 388502227 /nfs/dbraw/zinc/50/22/27/388502227.db2.gz QMCBQWAYVFYUOS-ONGXEEELSA-N 1 2 221.304 1.267 20 0 BDADLO Cc1ncccc1N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000516784716 256802130 /nfs/dbraw/zinc/80/21/30/256802130.db2.gz WCTURVCJZJKPJE-UHFFFAOYSA-N 1 2 247.342 1.695 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C)C(C)C ZINC000548097178 388511056 /nfs/dbraw/zinc/51/10/56/388511056.db2.gz ANZGSUYGLQHSCJ-GBIKHYSHSA-N 1 2 240.347 1.199 20 0 BDADLO CC(=O)[C@H](NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C)C(C)C ZINC000548097178 388511058 /nfs/dbraw/zinc/51/10/58/388511058.db2.gz ANZGSUYGLQHSCJ-GBIKHYSHSA-N 1 2 240.347 1.199 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(CO)ccc2F)CCO1 ZINC000528512463 388512858 /nfs/dbraw/zinc/51/28/58/388512858.db2.gz LQZJMMXLTFZPLF-JTQLQIEISA-N 1 2 239.290 1.539 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(CO)ccc2F)CCO1 ZINC000528512463 388512861 /nfs/dbraw/zinc/51/28/61/388512861.db2.gz LQZJMMXLTFZPLF-JTQLQIEISA-N 1 2 239.290 1.539 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1noc(C(C)C)n1 ZINC000345834939 388516309 /nfs/dbraw/zinc/51/63/09/388516309.db2.gz MYRGVPHYLWIHDF-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000345834939 388516311 /nfs/dbraw/zinc/51/63/11/388516311.db2.gz MYRGVPHYLWIHDF-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nc(C(C)C)no1 ZINC000345846802 388518564 /nfs/dbraw/zinc/51/85/64/388518564.db2.gz YDSOTKAZYFZUHZ-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000345846802 388518567 /nfs/dbraw/zinc/51/85/67/388518567.db2.gz YDSOTKAZYFZUHZ-VIFPVBQESA-N 1 2 227.308 1.396 20 0 BDADLO COCc1nc(C(=O)Nc2cc[nH+]c(C)c2)co1 ZINC000548169667 388519773 /nfs/dbraw/zinc/51/97/73/388519773.db2.gz FOWOALQHJNFGNX-UHFFFAOYSA-N 1 2 247.254 1.199 20 0 BDADLO CC[C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548258068 388523486 /nfs/dbraw/zinc/52/34/86/388523486.db2.gz RKMUYVVZYIEMDN-VHSXEESVSA-N 1 2 223.320 1.513 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C=CCCC1 ZINC000548257734 388523503 /nfs/dbraw/zinc/52/35/03/388523503.db2.gz MICTXIHONAJRKC-SNVBAGLBSA-N 1 2 219.288 1.188 20 0 BDADLO CC[C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000548258067 388523578 /nfs/dbraw/zinc/52/35/78/388523578.db2.gz RKMUYVVZYIEMDN-UWVGGRQHSA-N 1 2 223.320 1.513 20 0 BDADLO CCN(C)c1ccc(CNc2cn(C)nn2)c[nH+]1 ZINC000516900561 388524066 /nfs/dbraw/zinc/52/40/66/388524066.db2.gz GPFRPTUFOWWULK-UHFFFAOYSA-N 1 2 246.318 1.278 20 0 BDADLO C/C(Cl)=C\C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000528452411 388528772 /nfs/dbraw/zinc/52/87/72/388528772.db2.gz UAFMGUMRLSHGGG-PUMWVJNTSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000528452411 388528775 /nfs/dbraw/zinc/52/87/75/388528775.db2.gz UAFMGUMRLSHGGG-PUMWVJNTSA-N 1 2 233.739 1.601 20 0 BDADLO C/C(Cl)=C/C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000528480413 388532021 /nfs/dbraw/zinc/53/20/21/388532021.db2.gz ZPOBCXPAAVFVGN-BBYBGLFNSA-N 1 2 235.780 1.970 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000517039898 388534540 /nfs/dbraw/zinc/53/45/40/388534540.db2.gz JADUEKNLPPPKTJ-IUCAKERBSA-N 1 2 247.302 1.189 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000517039898 388534543 /nfs/dbraw/zinc/53/45/43/388534543.db2.gz JADUEKNLPPPKTJ-IUCAKERBSA-N 1 2 247.302 1.189 20 0 BDADLO C/C(Cl)=C\C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000528500225 388536019 /nfs/dbraw/zinc/53/60/19/388536019.db2.gz FLEFDJGGPFQQAG-FXOABRIKSA-N 1 2 207.676 1.534 20 0 BDADLO C/C(Cl)=C\C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000528500225 388536022 /nfs/dbraw/zinc/53/60/22/388536022.db2.gz FLEFDJGGPFQQAG-FXOABRIKSA-N 1 2 207.676 1.534 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)CC(F)F ZINC000648961276 388587103 /nfs/dbraw/zinc/58/71/03/388587103.db2.gz ZTJYTGMWIMPHDD-MRVPVSSYSA-N 1 2 245.273 1.370 20 0 BDADLO CCO[C@@]1(C)C[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000529852115 388591384 /nfs/dbraw/zinc/59/13/84/388591384.db2.gz CAVJTQXQOYAXKJ-KOLCDFICSA-N 1 2 223.276 1.015 20 0 BDADLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000219575973 388596068 /nfs/dbraw/zinc/59/60/68/388596068.db2.gz PQXFQSWXVCEYQK-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000219575973 388596070 /nfs/dbraw/zinc/59/60/70/388596070.db2.gz PQXFQSWXVCEYQK-JGVFFNPUSA-N 1 2 239.237 1.822 20 0 BDADLO CC[C@H]1C[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000521485538 388610916 /nfs/dbraw/zinc/61/09/16/388610916.db2.gz ZKGKQNSDPWMKKL-QWRGUYRKSA-N 1 2 235.331 1.610 20 0 BDADLO Cc1ccc(O)c(NC(=O)Cn2cc[nH+]c2)c1 ZINC000550749722 388614282 /nfs/dbraw/zinc/61/42/82/388614282.db2.gz FWWJUQZFCVVALW-UHFFFAOYSA-N 1 2 231.255 1.536 20 0 BDADLO CCn1cc(C[N@H+](CCO)CC2(F)CC2)cn1 ZINC000517644579 388556664 /nfs/dbraw/zinc/55/66/64/388556664.db2.gz UXAMHPKZPXEXPO-UHFFFAOYSA-N 1 2 241.310 1.199 20 0 BDADLO CCn1cc(C[N@@H+](CCO)CC2(F)CC2)cn1 ZINC000517644579 388556666 /nfs/dbraw/zinc/55/66/66/388556666.db2.gz UXAMHPKZPXEXPO-UHFFFAOYSA-N 1 2 241.310 1.199 20 0 BDADLO CCCn1ncnc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000520961683 388558653 /nfs/dbraw/zinc/55/86/53/388558653.db2.gz PHSWJGVICIUDLY-LLVKDONJSA-N 1 2 240.351 1.279 20 0 BDADLO CCCn1ncnc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000520961683 388558656 /nfs/dbraw/zinc/55/86/56/388558656.db2.gz PHSWJGVICIUDLY-LLVKDONJSA-N 1 2 240.351 1.279 20 0 BDADLO CCn1nc(C)cc1NC(=O)Cn1cc[nH+]c1 ZINC000530133863 388615764 /nfs/dbraw/zinc/61/57/64/388615764.db2.gz QHSACYXUVDAICZ-UHFFFAOYSA-N 1 2 233.275 1.047 20 0 BDADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCSC1 ZINC000521271929 388568080 /nfs/dbraw/zinc/56/80/80/388568080.db2.gz PBARTPSJXWARQP-SNVBAGLBSA-N 1 2 223.345 1.680 20 0 BDADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)N(C)C ZINC000528823417 388577147 /nfs/dbraw/zinc/57/71/47/388577147.db2.gz AWLBLXVUJHLKRI-DTWKUNHWSA-N 1 2 239.294 1.348 20 0 BDADLO CC[C@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)CCO1 ZINC000245471451 388582548 /nfs/dbraw/zinc/58/25/48/388582548.db2.gz NZBKEZDPJKUDOU-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CC[C@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)CCO1 ZINC000245471451 388582549 /nfs/dbraw/zinc/58/25/49/388582549.db2.gz NZBKEZDPJKUDOU-RYUDHWBXSA-N 1 2 240.347 1.107 20 0 BDADLO CC(=O)CCCSc1nc(N)cc(C)[nH+]1 ZINC000248266830 388675389 /nfs/dbraw/zinc/67/53/89/388675389.db2.gz FJBUNJCRZIXBRK-UHFFFAOYSA-N 1 2 225.317 1.829 20 0 BDADLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C)cc1 ZINC000538137109 388677923 /nfs/dbraw/zinc/67/79/23/388677923.db2.gz RXLYPIKUCMRQQI-UHFFFAOYSA-N 1 2 246.314 1.841 20 0 BDADLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C)cc1 ZINC000538137109 388677925 /nfs/dbraw/zinc/67/79/25/388677925.db2.gz RXLYPIKUCMRQQI-UHFFFAOYSA-N 1 2 246.314 1.841 20 0 BDADLO C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)C(C)(F)F ZINC000551164747 388623027 /nfs/dbraw/zinc/62/30/27/388623027.db2.gz NRQKNZPBIFLPIK-QMMMGPOBSA-N 1 2 243.257 1.558 20 0 BDADLO COC[C@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OC ZINC000551804791 388641414 /nfs/dbraw/zinc/64/14/14/388641414.db2.gz HQNGLYOYHPWMFY-LBPRGKRZSA-N 1 2 245.363 1.692 20 0 BDADLO C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246542422 388642427 /nfs/dbraw/zinc/64/24/27/388642427.db2.gz JXBKHDWEGGYBOT-UTUOFQBUSA-N 1 2 247.342 1.845 20 0 BDADLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000219135725 388654705 /nfs/dbraw/zinc/65/47/05/388654705.db2.gz AQLWTOLBFQTIJC-VIFPVBQESA-N 1 2 217.276 1.359 20 0 BDADLO Nc1nc(N[C@H]2CCSC2)[nH+]c2ccccc12 ZINC000530431383 388654856 /nfs/dbraw/zinc/65/48/56/388654856.db2.gz FMCVMAIHEBSCRS-QMMMGPOBSA-N 1 2 246.339 1.382 20 0 BDADLO CCN(CC(C)C)c1[nH+]cnc2c1cnn2C ZINC000192807248 388685573 /nfs/dbraw/zinc/68/55/73/388685573.db2.gz PURWGMSMRAJGOD-UHFFFAOYSA-N 1 2 233.319 1.846 20 0 BDADLO OC1CN(c2[nH+]ccc3ccccc32)C1 ZINC000123794134 388656788 /nfs/dbraw/zinc/65/67/88/388656788.db2.gz WYQLTDRDQIBKJW-UHFFFAOYSA-N 1 2 200.241 1.416 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+](Cc1ccncc1)C1CC1 ZINC000190832360 388656854 /nfs/dbraw/zinc/65/68/54/388656854.db2.gz SUNFCEGDEDXESL-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccncc1)C1CC1 ZINC000190832360 388656856 /nfs/dbraw/zinc/65/68/56/388656856.db2.gz SUNFCEGDEDXESL-NSHDSACASA-N 1 2 248.326 1.998 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@@H]2CCCCO2)n1C ZINC000126006433 388685940 /nfs/dbraw/zinc/68/59/40/388685940.db2.gz GLAWZYAYBLHSGH-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCCCO2)n1C ZINC000126006433 388685944 /nfs/dbraw/zinc/68/59/44/388685944.db2.gz GLAWZYAYBLHSGH-NSHDSACASA-N 1 2 238.335 1.124 20 0 BDADLO CN(Cc1ccco1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000553162730 388750717 /nfs/dbraw/zinc/75/07/17/388750717.db2.gz NGFAIQDNXDFMOP-UHFFFAOYSA-N 1 2 236.315 1.580 20 0 BDADLO CCc1nn(C)cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000227554418 388753900 /nfs/dbraw/zinc/75/39/00/388753900.db2.gz LLSLFQXOQCZAAZ-MRVPVSSYSA-N 1 2 247.302 1.197 20 0 BDADLO CCn1ncnc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000248655576 388688072 /nfs/dbraw/zinc/68/80/72/388688072.db2.gz BVOKKSYNYPTEFF-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO CCn1ncnc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000248655576 388688075 /nfs/dbraw/zinc/68/80/75/388688075.db2.gz BVOKKSYNYPTEFF-NXEZZACHSA-N 1 2 240.376 1.624 20 0 BDADLO COCc1ccc(C(=O)NCCn2cc[nH+]c2)o1 ZINC000192919052 388689052 /nfs/dbraw/zinc/68/90/52/388689052.db2.gz AKFDBCGWHLEDPV-UHFFFAOYSA-N 1 2 249.270 1.053 20 0 BDADLO COCC[N@H+](C)Cc1csc(C)n1 ZINC000065300479 388689955 /nfs/dbraw/zinc/68/99/55/388689955.db2.gz IXTXZVRDHJASAX-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO COCC[N@@H+](C)Cc1csc(C)n1 ZINC000065300479 388689957 /nfs/dbraw/zinc/68/99/57/388689957.db2.gz IXTXZVRDHJASAX-UHFFFAOYSA-N 1 2 200.307 1.530 20 0 BDADLO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CC(C)(C)O1 ZINC000065427247 388692084 /nfs/dbraw/zinc/69/20/84/388692084.db2.gz ZSTPARBPGUKKQA-SNVBAGLBSA-N 1 2 242.363 1.400 20 0 BDADLO C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC(C)(C)O1 ZINC000065427247 388692087 /nfs/dbraw/zinc/69/20/87/388692087.db2.gz ZSTPARBPGUKKQA-SNVBAGLBSA-N 1 2 242.363 1.400 20 0 BDADLO COc1ncccc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000193401424 388703966 /nfs/dbraw/zinc/70/39/66/388703966.db2.gz YQOXJZIPFRBZDT-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO COc1ncccc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000193401424 388703967 /nfs/dbraw/zinc/70/39/67/388703967.db2.gz YQOXJZIPFRBZDT-GHMZBOCLSA-N 1 2 236.315 1.699 20 0 BDADLO CCn1ncnc1C[N@H+](C)[C@@H](C)CCSC ZINC000193429650 388704242 /nfs/dbraw/zinc/70/42/42/388704242.db2.gz CXGOUPMYHREJIR-JTQLQIEISA-N 1 2 242.392 1.871 20 0 BDADLO CCn1ncnc1C[N@@H+](C)[C@@H](C)CCSC ZINC000193429650 388704244 /nfs/dbraw/zinc/70/42/44/388704244.db2.gz CXGOUPMYHREJIR-JTQLQIEISA-N 1 2 242.392 1.871 20 0 BDADLO CCCCCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000249061769 388707159 /nfs/dbraw/zinc/70/71/59/388707159.db2.gz QLWUPZYVMZOEEM-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000249061769 388707161 /nfs/dbraw/zinc/70/71/61/388707161.db2.gz QLWUPZYVMZOEEM-VXGBXAGGSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000249062496 388707430 /nfs/dbraw/zinc/70/74/30/388707430.db2.gz QYLDMCSETTXAMG-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000249062496 388707433 /nfs/dbraw/zinc/70/74/33/388707433.db2.gz QYLDMCSETTXAMG-GHMZBOCLSA-N 1 2 242.363 1.400 20 0 BDADLO CCOc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000127305532 388720780 /nfs/dbraw/zinc/72/07/80/388720780.db2.gz VHDBYMHDKNWFKQ-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO CCOc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000127305532 388720784 /nfs/dbraw/zinc/72/07/84/388720784.db2.gz VHDBYMHDKNWFKQ-UHFFFAOYSA-N 1 2 248.326 1.359 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)s1 ZINC000540215711 388800054 /nfs/dbraw/zinc/80/00/54/388800054.db2.gz XXOKTNDBPXVIKU-PSASIEDQSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)s1 ZINC000540215711 388800058 /nfs/dbraw/zinc/80/00/58/388800058.db2.gz XXOKTNDBPXVIKU-PSASIEDQSA-N 1 2 241.360 1.439 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C(C1CC1)C1CC1 ZINC000270005154 388788821 /nfs/dbraw/zinc/78/88/21/388788821.db2.gz YBPPPBQMUTWLSN-UHFFFAOYSA-N 1 2 233.315 1.771 20 0 BDADLO COC(=O)c1occc1C[NH2+]Cc1ccno1 ZINC000231885019 388844282 /nfs/dbraw/zinc/84/42/82/388844282.db2.gz PEGRQLLVLDWJND-UHFFFAOYSA-N 1 2 236.227 1.344 20 0 BDADLO C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C(F)(F)F ZINC000554600430 388824100 /nfs/dbraw/zinc/82/41/00/388824100.db2.gz YGIUJTRORNAVBT-ZETCQYMHSA-N 1 2 249.236 1.277 20 0 BDADLO Cc1noc(C)c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523680614 388851658 /nfs/dbraw/zinc/85/16/58/388851658.db2.gz XZUBNZBNICDPSO-UHFFFAOYSA-N 1 2 246.270 1.185 20 0 BDADLO CCCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000555634882 388856138 /nfs/dbraw/zinc/85/61/38/388856138.db2.gz KZQBAXOWMYUZOG-NXEZZACHSA-N 1 2 223.324 1.313 20 0 BDADLO CCCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000555634882 388856142 /nfs/dbraw/zinc/85/61/42/388856142.db2.gz KZQBAXOWMYUZOG-NXEZZACHSA-N 1 2 223.324 1.313 20 0 BDADLO O=C(c1cc(F)c[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000556170336 388869653 /nfs/dbraw/zinc/86/96/53/388869653.db2.gz HDGQWVBXBWGBNT-UHFFFAOYSA-N 1 2 234.234 1.047 20 0 BDADLO FC(F)O[C@H]1CC[N@H+](Cc2cocn2)C1 ZINC000555367863 388849051 /nfs/dbraw/zinc/84/90/51/388849051.db2.gz OJXDNRLBSGGLTJ-QMMMGPOBSA-N 1 2 218.203 1.488 20 0 BDADLO FC(F)O[C@H]1CC[N@@H+](Cc2cocn2)C1 ZINC000555367863 388849053 /nfs/dbraw/zinc/84/90/53/388849053.db2.gz OJXDNRLBSGGLTJ-QMMMGPOBSA-N 1 2 218.203 1.488 20 0 BDADLO FC(F)O[C@@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000337312731 388885475 /nfs/dbraw/zinc/88/54/75/388885475.db2.gz VUHVPSUJRBNNFZ-RKDXNWHRSA-N 1 2 231.246 1.660 20 0 BDADLO C[C@@H]1SCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000649172348 388889294 /nfs/dbraw/zinc/88/92/94/388889294.db2.gz FDOJCBDCXYWAID-WPRPVWTQSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1SCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000649172348 388889295 /nfs/dbraw/zinc/88/92/95/388889295.db2.gz FDOJCBDCXYWAID-WPRPVWTQSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H]1SCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000649173631 388890031 /nfs/dbraw/zinc/89/00/31/388890031.db2.gz WGTBUJNYFBHMCF-DTWKUNHWSA-N 1 2 239.344 1.353 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000564812208 388890654 /nfs/dbraw/zinc/89/06/54/388890654.db2.gz AQMDEWJRVABHQZ-BXUZGUMPSA-N 1 2 246.310 1.897 20 0 BDADLO Cc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)no1 ZINC000565053645 388911302 /nfs/dbraw/zinc/91/13/02/388911302.db2.gz JXHYNLMUURHEHO-VIFPVBQESA-N 1 2 248.286 1.447 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000565186101 388922374 /nfs/dbraw/zinc/92/23/74/388922374.db2.gz PKZXZCPINRMYNU-IJLUTSLNSA-N 1 2 247.342 1.847 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000565186101 388922375 /nfs/dbraw/zinc/92/23/75/388922375.db2.gz PKZXZCPINRMYNU-IJLUTSLNSA-N 1 2 247.342 1.847 20 0 BDADLO COCc1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000290192063 388958768 /nfs/dbraw/zinc/95/87/68/388958768.db2.gz SYAPGUGJTHLCLX-UHFFFAOYSA-N 1 2 246.314 1.251 20 0 BDADLO CCC(O)(CC)CCNc1nc(C)[nH+]cc1C ZINC000565668328 388961649 /nfs/dbraw/zinc/96/16/49/388961649.db2.gz WFVQVSRGFXGVKL-UHFFFAOYSA-N 1 2 237.347 1.868 20 0 BDADLO C[C@H](CC(=O)N1CCC[C@@H](F)C1)n1cc[nH+]c1 ZINC000565311266 388937186 /nfs/dbraw/zinc/93/71/86/388937186.db2.gz DOAOOYKJJPQGRU-GHMZBOCLSA-N 1 2 239.294 1.795 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCO ZINC000153129123 388941910 /nfs/dbraw/zinc/94/19/10/388941910.db2.gz QRAQDGRULGKYFI-MRVPVSSYSA-N 1 2 227.308 1.352 20 0 BDADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCO ZINC000153129123 388941912 /nfs/dbraw/zinc/94/19/12/388941912.db2.gz QRAQDGRULGKYFI-MRVPVSSYSA-N 1 2 227.308 1.352 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(F)(F)F ZINC000565549958 388954603 /nfs/dbraw/zinc/95/46/03/388954603.db2.gz QDQJXPGDOAODEF-ZETCQYMHSA-N 1 2 249.236 1.609 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(F)(F)F ZINC000565549958 388954606 /nfs/dbraw/zinc/95/46/06/388954606.db2.gz QDQJXPGDOAODEF-ZETCQYMHSA-N 1 2 249.236 1.609 20 0 BDADLO CCc1ncc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000566014751 388983540 /nfs/dbraw/zinc/98/35/40/388983540.db2.gz QYHLCKSUZVURJV-LLVKDONJSA-N 1 2 223.295 1.973 20 0 BDADLO CCc1ncc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000566014751 388983544 /nfs/dbraw/zinc/98/35/44/388983544.db2.gz QYHLCKSUZVURJV-LLVKDONJSA-N 1 2 223.295 1.973 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000566048118 388984396 /nfs/dbraw/zinc/98/43/96/388984396.db2.gz FESMTRQVDBNZMB-NWDGAFQWSA-N 1 2 248.330 1.054 20 0 BDADLO CCO[C@@H]1C[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000566048118 388984399 /nfs/dbraw/zinc/98/43/99/388984399.db2.gz FESMTRQVDBNZMB-NWDGAFQWSA-N 1 2 248.330 1.054 20 0 BDADLO COC(=O)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC000266447815 388996417 /nfs/dbraw/zinc/99/64/17/388996417.db2.gz WXTDACOJLVUCID-SSDOTTSWSA-N 1 2 209.249 1.006 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CCCCC1 ZINC000266981457 388998282 /nfs/dbraw/zinc/99/82/82/388998282.db2.gz QCVKUKQUHXZTOM-UHFFFAOYSA-N 1 2 221.304 1.915 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)C1CCSCC1 ZINC000267252182 388999900 /nfs/dbraw/zinc/99/99/00/388999900.db2.gz RVQDWBHJQCADCB-UHFFFAOYSA-N 1 2 239.344 1.478 20 0 BDADLO O=C(CCn1cc[nH+]c1)NOC1CCCC1 ZINC000271849676 389026679 /nfs/dbraw/zinc/02/66/79/389026679.db2.gz WGCRGPTYDIIXBK-UHFFFAOYSA-N 1 2 223.276 1.264 20 0 BDADLO CC/C=C/CC[NH2+][C@]1(C(=O)OC)CCOC1 ZINC000274307516 389046689 /nfs/dbraw/zinc/04/66/89/389046689.db2.gz DXOVKZSWSRFUEB-ZYOFXKKJSA-N 1 2 227.304 1.264 20 0 BDADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nccc(C)n2)C1 ZINC000510106469 533292898 /nfs/dbraw/zinc/29/28/98/533292898.db2.gz SBNNEYHPEGMTSO-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nccc(C)n2)C1 ZINC000510106469 533292901 /nfs/dbraw/zinc/29/29/01/533292901.db2.gz SBNNEYHPEGMTSO-PHIMTYICSA-N 1 2 221.304 1.394 20 0 BDADLO C[C@]([NH2+]Cc1ccno1)(C(N)=O)c1ccccc1 ZINC000533538078 322829182 /nfs/dbraw/zinc/82/91/82/322829182.db2.gz DQIUHMZKUQOLDO-CYBMUJFWSA-N 1 2 245.282 1.165 20 0 BDADLO Cc1cc(N2CCC[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000264637879 132178977 /nfs/dbraw/zinc/17/89/77/132178977.db2.gz LYFOSFKDAKCBJO-LLVKDONJSA-N 1 2 233.315 1.624 20 0 BDADLO Cc1nc(N2CCSC[C@@H]2C)cc[nH+]1 ZINC000266240976 132185246 /nfs/dbraw/zinc/18/52/46/132185246.db2.gz LHSUKBVRWXNRBV-QMMMGPOBSA-N 1 2 209.318 1.727 20 0 BDADLO Cc1nccc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000266333421 132186140 /nfs/dbraw/zinc/18/61/40/132186140.db2.gz HFJQKFXAIDNGRF-UHFFFAOYSA-N 1 2 243.314 1.823 20 0 BDADLO O[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000267256340 132188912 /nfs/dbraw/zinc/18/89/12/132188912.db2.gz VRZWUPIYRQYREG-SNVBAGLBSA-N 1 2 229.283 1.591 20 0 BDADLO Cc1nc(N2CCC[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000267857682 132191166 /nfs/dbraw/zinc/19/11/66/132191166.db2.gz CCOQFFYSBJLPEL-NSHDSACASA-N 1 2 247.342 1.625 20 0 BDADLO CC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000270065276 132195376 /nfs/dbraw/zinc/19/53/76/132195376.db2.gz QEUWNEKVNRCCGJ-UHFFFAOYSA-N 1 2 229.287 1.520 20 0 BDADLO Cc1nc(N2CCC(CCC(N)=O)CC2)cc[nH+]1 ZINC000270932126 132198221 /nfs/dbraw/zinc/19/82/21/132198221.db2.gz CXHHBCPYORUXEX-UHFFFAOYSA-N 1 2 248.330 1.267 20 0 BDADLO Cc1nc(N2CCNC(=O)[C@H]2CC(C)C)cc[nH+]1 ZINC000275513300 132205256 /nfs/dbraw/zinc/20/52/56/132205256.db2.gz VCYDRERYZKDODY-LLVKDONJSA-N 1 2 248.330 1.136 20 0 BDADLO COC[C@H]1CN(c2cccc[nH+]2)C[C@H](C)O1 ZINC000276121996 132206554 /nfs/dbraw/zinc/20/65/54/132206554.db2.gz YXSDMXHNZQAUIZ-WDEREUQCSA-N 1 2 222.288 1.322 20 0 BDADLO C[C@H]1OCC[C@@]12CN(c1cccc[nH+]1)C[C@@H](C)O2 ZINC000279413359 132209095 /nfs/dbraw/zinc/20/90/95/132209095.db2.gz JRHVQDQJCFDDKN-YRGRVCCFSA-N 1 2 248.326 1.854 20 0 BDADLO CCc1nc(N2CCNC(=O)[C@H]2CC)cc(C)[nH+]1 ZINC000283756365 132212838 /nfs/dbraw/zinc/21/28/38/132212838.db2.gz MBUPCCPVYNTJBY-SNVBAGLBSA-N 1 2 248.330 1.062 20 0 BDADLO CCc1nc(N2CC(=O)N(C)[C@@H](C)C2)cc(C)[nH+]1 ZINC000286407826 132214608 /nfs/dbraw/zinc/21/46/08/132214608.db2.gz KFDDHWJNTQSVNR-JTQLQIEISA-N 1 2 248.330 1.014 20 0 BDADLO Cc1cnc(N2CCn3c[nH+]cc3C2)nc1 ZINC000290813327 132217333 /nfs/dbraw/zinc/21/73/33/132217333.db2.gz ZYEYCZKITNLTBM-UHFFFAOYSA-N 1 2 215.260 1.002 20 0 BDADLO Cc1nc(N2CC[C@H](O)C[C@@H]2C)cc[nH+]1 ZINC000292423456 132218811 /nfs/dbraw/zinc/21/88/11/132218811.db2.gz WPAQDOJRISHJTC-WPRPVWTQSA-N 1 2 207.277 1.135 20 0 BDADLO CC(=O)N1CCN(c2cccc[nH+]2)[C@H](C)C1 ZINC000298709100 132222395 /nfs/dbraw/zinc/22/23/95/132222395.db2.gz TXOXHCUDBMWUQR-SNVBAGLBSA-N 1 2 219.288 1.139 20 0 BDADLO Cc1cc(N2CCCC[C@H]2CCO)nc[nH+]1 ZINC000040727702 132224341 /nfs/dbraw/zinc/22/43/41/132224341.db2.gz DYSAWJJELCCTQU-NSHDSACASA-N 1 2 221.304 1.526 20 0 BDADLO c1ccc(N2CCO[C@@H](C3CC3)C2)[nH+]c1 ZINC000336546174 132248758 /nfs/dbraw/zinc/24/87/58/132248758.db2.gz HKLNTSLMNNPZHN-LLVKDONJSA-N 1 2 204.273 1.697 20 0 BDADLO Cc1nc(N2CCC[C@@H](CO)C2)c(C)c(C)[nH+]1 ZINC000301447420 132253777 /nfs/dbraw/zinc/25/37/77/132253777.db2.gz RNDIQQAODXEKDF-GFCCVEGCSA-N 1 2 235.331 1.611 20 0 BDADLO Cc1nc(N2CCC[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000301449882 132254111 /nfs/dbraw/zinc/25/41/11/132254111.db2.gz SNZPHYNQTNWZGU-NSHDSACASA-N 1 2 221.304 1.363 20 0 BDADLO Cc1nc(N2CCO[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301452978 132254117 /nfs/dbraw/zinc/25/41/17/132254117.db2.gz UWDOQVAGGSYBOT-QMMMGPOBSA-N 1 2 221.304 1.627 20 0 BDADLO Cc1nc(N2CCC([C@H](C)O)CC2)c(C)c(C)[nH+]1 ZINC000301712851 132256708 /nfs/dbraw/zinc/25/67/08/132256708.db2.gz YONZNQVPZLXBAV-NSHDSACASA-N 1 2 249.358 1.999 20 0 BDADLO Cc1nc(N2CCC[C@@H]([C@H](C)O)C2)c(C)c(C)[nH+]1 ZINC000301787490 132257172 /nfs/dbraw/zinc/25/71/72/132257172.db2.gz PXHBZNNELLHJEM-WCQYABFASA-N 1 2 249.358 1.999 20 0 BDADLO Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000301793407 132257819 /nfs/dbraw/zinc/25/78/19/132257819.db2.gz SCPAQJOLSHKHPO-MNOVXSKESA-N 1 2 221.304 1.382 20 0 BDADLO Cc1nc(N2CC[C@@H](C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000301953273 132258964 /nfs/dbraw/zinc/25/89/64/132258964.db2.gz HVEMKWRHCZIHJU-PELKAZGASA-N 1 2 235.331 1.609 20 0 BDADLO COC[C@H]1CN(c2cc(C)[nH+]cn2)C[C@H](C)O1 ZINC000302579961 132264692 /nfs/dbraw/zinc/26/46/92/132264692.db2.gz SSHANAWCYJYHHQ-WDEREUQCSA-N 1 2 237.303 1.025 20 0 BDADLO Cc1cc(N2CCO[C@@H]3CCC[C@H]32)nc[nH+]1 ZINC000362373172 132280996 /nfs/dbraw/zinc/28/09/96/132280996.db2.gz HNOZRTSGSLROGA-GHMZBOCLSA-N 1 2 219.288 1.543 20 0 BDADLO Cc1nc(N2CCCC[C@@H]2C[C@@H](C)O)cc[nH+]1 ZINC000279454789 132306820 /nfs/dbraw/zinc/30/68/20/132306820.db2.gz MGZRWGWIFVIBGC-ZYHUDNBSSA-N 1 2 235.331 1.915 20 0 BDADLO Cc1nc(N2CC(=O)N[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000132738759 132441087 /nfs/dbraw/zinc/44/10/87/132441087.db2.gz KTDNCCCKOAIJGB-QWRGUYRKSA-N 1 2 246.314 1.032 20 0 BDADLO FC[C@@H]1CN(c2cccc[nH+]2)CCCO1 ZINC000334653693 133725691 /nfs/dbraw/zinc/72/56/91/133725691.db2.gz TUCZPMODVGRIDH-SNVBAGLBSA-N 1 2 210.252 1.646 20 0 BDADLO Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)o1 ZINC000335929100 134009714 /nfs/dbraw/zinc/00/97/14/134009714.db2.gz DBGCADZUJNWRLS-NSHDSACASA-N 1 2 213.252 1.494 20 0 BDADLO Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)o1 ZINC000335929100 134009715 /nfs/dbraw/zinc/00/97/15/134009715.db2.gz DBGCADZUJNWRLS-NSHDSACASA-N 1 2 213.252 1.494 20 0 BDADLO CC1=CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335931546 134010741 /nfs/dbraw/zinc/01/07/41/134010741.db2.gz KJIULDOIULJCOU-LBPRGKRZSA-N 1 2 245.326 1.624 20 0 BDADLO Cc1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000335965984 134028056 /nfs/dbraw/zinc/02/80/56/134028056.db2.gz VBYQGYWKRPADKK-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO Cc1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000335965984 134028057 /nfs/dbraw/zinc/02/80/57/134028057.db2.gz VBYQGYWKRPADKK-UHFFFAOYSA-N 1 2 207.273 1.953 20 0 BDADLO C[C@H]1CC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000335982265 134038071 /nfs/dbraw/zinc/03/80/71/134038071.db2.gz RGBPYPAQLMVMPY-UWVGGRQHSA-N 1 2 234.303 1.207 20 0 BDADLO c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n[nH]1 ZINC000336018982 134053849 /nfs/dbraw/zinc/05/38/49/134053849.db2.gz JVXOJNAVEHMZRU-OLZOCXBDSA-N 1 2 247.342 1.943 20 0 BDADLO c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n[nH]1 ZINC000336018982 134053850 /nfs/dbraw/zinc/05/38/50/134053850.db2.gz JVXOJNAVEHMZRU-OLZOCXBDSA-N 1 2 247.342 1.943 20 0 BDADLO C[C@H]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000336022620 134056056 /nfs/dbraw/zinc/05/60/56/134056056.db2.gz YJBJUWTTWCOAQH-QWRGUYRKSA-N 1 2 233.315 1.662 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336043939 134062822 /nfs/dbraw/zinc/06/28/22/134062822.db2.gz ORXLOGPRLZIFMG-NXEZZACHSA-N 1 2 235.331 1.990 20 0 BDADLO CC(C)[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000336043939 134062823 /nfs/dbraw/zinc/06/28/23/134062823.db2.gz ORXLOGPRLZIFMG-NXEZZACHSA-N 1 2 235.331 1.990 20 0 BDADLO CC(C)N(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCC1 ZINC000336051027 134064728 /nfs/dbraw/zinc/06/47/28/134064728.db2.gz ISAUKKIUNYNFRG-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO CC(C)N(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCC1 ZINC000336051027 134064729 /nfs/dbraw/zinc/06/47/29/134064729.db2.gz ISAUKKIUNYNFRG-LBPRGKRZSA-N 1 2 240.347 1.107 20 0 BDADLO F[C@@H]1CCC[C@@H]1[NH2+]Cc1csnn1 ZINC000336125906 134093086 /nfs/dbraw/zinc/09/30/86/134093086.db2.gz WQECTSRGNKZJSZ-SFYZADRCSA-N 1 2 201.270 1.518 20 0 BDADLO OC[C@@H]1C[C@@H](F)CN1Cc1cn2ccccc2[nH+]1 ZINC000336162048 134111593 /nfs/dbraw/zinc/11/15/93/134111593.db2.gz MVEYKGBKSHNEBL-PWSUYJOCSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000336162048 134111594 /nfs/dbraw/zinc/11/15/94/134111594.db2.gz MVEYKGBKSHNEBL-PWSUYJOCSA-N 1 2 249.289 1.239 20 0 BDADLO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cn2ccccc2n1 ZINC000336162048 134111595 /nfs/dbraw/zinc/11/15/95/134111595.db2.gz MVEYKGBKSHNEBL-PWSUYJOCSA-N 1 2 249.289 1.239 20 0 BDADLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000336163643 134112151 /nfs/dbraw/zinc/11/21/51/134112151.db2.gz GMBYPHHOIFZTTJ-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000336163643 134112152 /nfs/dbraw/zinc/11/21/52/134112152.db2.gz GMBYPHHOIFZTTJ-LBPRGKRZSA-N 1 2 245.330 1.789 20 0 BDADLO Cn1c2c(cccc2F)[nH+]c1N1CCC(O)CC1 ZINC000336167011 134113375 /nfs/dbraw/zinc/11/33/75/134113375.db2.gz IHTUECLLEWVARL-UHFFFAOYSA-N 1 2 249.289 1.674 20 0 BDADLO O=C1CCCN1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000336177765 134117493 /nfs/dbraw/zinc/11/74/93/134117493.db2.gz IQVSMOGNEZWNIM-GFCCVEGCSA-N 1 2 245.326 1.673 20 0 BDADLO Cc1csc(C[N@@H+]2CC[C@](O)(C(F)F)C2)n1 ZINC000336207046 134132446 /nfs/dbraw/zinc/13/24/46/134132446.db2.gz ILIMIFMUVBQAJW-SNVBAGLBSA-N 1 2 248.298 1.653 20 0 BDADLO Cc1csc(C[N@H+]2CC[C@](O)(C(F)F)C2)n1 ZINC000336207046 134132447 /nfs/dbraw/zinc/13/24/47/134132447.db2.gz ILIMIFMUVBQAJW-SNVBAGLBSA-N 1 2 248.298 1.653 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccncc2F)[C@@H](C)CO1 ZINC000336211669 134134487 /nfs/dbraw/zinc/13/44/87/134134487.db2.gz FDSQAWCWQJSQOG-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO CN(CC(F)F)C(=O)NCCCn1cc[nH+]c1 ZINC000171408332 134258549 /nfs/dbraw/zinc/25/85/49/134258549.db2.gz FCIRAYTTWQKXAY-UHFFFAOYSA-N 1 2 246.261 1.180 20 0 BDADLO O=c1cc(C[NH+]2CCCCC2)nc2cc[nH]n21 ZINC000171709022 134260418 /nfs/dbraw/zinc/26/04/18/134260418.db2.gz YFRZUOMHJXYFFL-UHFFFAOYSA-N 1 2 232.287 1.009 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(OC)n1 ZINC000172102471 134261793 /nfs/dbraw/zinc/26/17/93/134261793.db2.gz NQOMHZYBKFIGIN-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cccc(OC)n1 ZINC000172102471 134261794 /nfs/dbraw/zinc/26/17/94/134261794.db2.gz NQOMHZYBKFIGIN-LBPRGKRZSA-N 1 2 236.315 1.701 20 0 BDADLO CN(c1[nH+]cnc2c1cnn2C)C1CCC1 ZINC000172775273 134269571 /nfs/dbraw/zinc/26/95/71/134269571.db2.gz JMVAFKODAPVWJI-UHFFFAOYSA-N 1 2 217.276 1.352 20 0 BDADLO Cc1ccc(C(N)=O)cc1NCc1c[nH+]cn1C ZINC000176939424 134294932 /nfs/dbraw/zinc/29/49/32/134294932.db2.gz PKVOFYIGILIFMX-UHFFFAOYSA-N 1 2 244.298 1.440 20 0 BDADLO Cc1cc(N[C@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000220099185 134298934 /nfs/dbraw/zinc/29/89/34/134298934.db2.gz BBHISSWWCVAIAH-UWVGGRQHSA-N 1 2 207.277 1.764 20 0 BDADLO CC(C)c1nc(C2([NH2+]CCO)CCCC2)no1 ZINC000177822765 134300346 /nfs/dbraw/zinc/30/03/46/134300346.db2.gz LCHQDQGHYRMMIL-UHFFFAOYSA-N 1 2 239.319 1.544 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178822771 134315540 /nfs/dbraw/zinc/31/55/40/134315540.db2.gz WUFFMSOYFXAYDP-VXGBXAGGSA-N 1 2 249.358 1.854 20 0 BDADLO CCOCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180042879 134325915 /nfs/dbraw/zinc/32/59/15/134325915.db2.gz ARWJJBUZAMSHFE-LLVKDONJSA-N 1 2 245.363 1.979 20 0 BDADLO CCn1cnnc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000222033831 134329340 /nfs/dbraw/zinc/32/93/40/134329340.db2.gz HDNSYMPTYHCVRQ-VIFPVBQESA-N 1 2 249.293 1.683 20 0 BDADLO COCc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000182391705 134344920 /nfs/dbraw/zinc/34/49/20/134344920.db2.gz BUSBXWMVGKZULN-UWVGGRQHSA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@@H+]2CCC[C@@H]2C)no1 ZINC000182522059 134345250 /nfs/dbraw/zinc/34/52/50/134345250.db2.gz RWTQZGOOJBZSTL-QMMMGPOBSA-N 1 2 211.265 1.200 20 0 BDADLO COCc1nc(C[N@H+]2CCC[C@@H]2C)no1 ZINC000182522059 134345251 /nfs/dbraw/zinc/34/52/51/134345251.db2.gz RWTQZGOOJBZSTL-QMMMGPOBSA-N 1 2 211.265 1.200 20 0 BDADLO COCc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000182671810 134346967 /nfs/dbraw/zinc/34/69/67/134346967.db2.gz XNLAMKVJWZGCMF-UWVGGRQHSA-N 1 2 239.319 1.694 20 0 BDADLO COCc1nc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000182671810 134346968 /nfs/dbraw/zinc/34/69/68/134346968.db2.gz XNLAMKVJWZGCMF-UWVGGRQHSA-N 1 2 239.319 1.694 20 0 BDADLO C[C@H]1CN(C)CC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000225140629 134351258 /nfs/dbraw/zinc/35/12/58/134351258.db2.gz QPBKBZLKJJQZST-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO C[C@H]1CN(C)CC[N@H+]1CCC(=O)OC(C)(C)C ZINC000225140629 134351259 /nfs/dbraw/zinc/35/12/59/134351259.db2.gz QPBKBZLKJJQZST-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCNC(=O)[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000225301056 134354363 /nfs/dbraw/zinc/35/43/63/134354363.db2.gz JTIQRSYYFCCQGA-ZCFIWIBFSA-N 1 2 247.751 1.411 20 0 BDADLO CC(=O)CCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000184208178 134359767 /nfs/dbraw/zinc/35/97/67/134359767.db2.gz QVRBQPSIKBLRQX-UHFFFAOYSA-N 1 2 238.331 1.052 20 0 BDADLO CCc1nnc(C[N@@H+]2CCCC3(CC3)C2)[nH]1 ZINC000184693724 134368205 /nfs/dbraw/zinc/36/82/05/134368205.db2.gz HORKTDBMYPTPCU-UHFFFAOYSA-N 1 2 220.320 1.743 20 0 BDADLO CCc1nnc(C[N@H+]2CCCC3(CC3)C2)[nH]1 ZINC000184693724 134368206 /nfs/dbraw/zinc/36/82/06/134368206.db2.gz HORKTDBMYPTPCU-UHFFFAOYSA-N 1 2 220.320 1.743 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000227936438 134399407 /nfs/dbraw/zinc/39/94/07/134399407.db2.gz GUCUEEANYLNUKC-SSDOTTSWSA-N 1 2 203.307 1.033 20 0 BDADLO CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248404966 135006324 /nfs/dbraw/zinc/00/63/24/135006324.db2.gz AKYRWHIFFFQASC-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000248404966 135006325 /nfs/dbraw/zinc/00/63/25/135006325.db2.gz AKYRWHIFFFQASC-WCQYABFASA-N 1 2 248.326 1.194 20 0 BDADLO Cc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)no1 ZINC000248481772 135014977 /nfs/dbraw/zinc/01/49/77/135014977.db2.gz IIRMSPACJKKDAM-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO Cc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)no1 ZINC000248481772 135014979 /nfs/dbraw/zinc/01/49/79/135014979.db2.gz IIRMSPACJKKDAM-ANRSDYALSA-N 1 2 230.333 1.182 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000248747835 135020138 /nfs/dbraw/zinc/02/01/38/135020138.db2.gz BIRSPEJGVIRJOR-QWRGUYRKSA-N 1 2 221.304 1.593 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000248747835 135020139 /nfs/dbraw/zinc/02/01/39/135020139.db2.gz BIRSPEJGVIRJOR-QWRGUYRKSA-N 1 2 221.304 1.593 20 0 BDADLO CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249297023 135043159 /nfs/dbraw/zinc/04/31/59/135043159.db2.gz KMTPGPXGNMVIMB-MNOVXSKESA-N 1 2 233.377 1.399 20 0 BDADLO CC[C@@H](C)C[N@H+]1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249297023 135043161 /nfs/dbraw/zinc/04/31/61/135043161.db2.gz KMTPGPXGNMVIMB-MNOVXSKESA-N 1 2 233.377 1.399 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2CC)C[C@@H](C)O1 ZINC000252442952 135089937 /nfs/dbraw/zinc/08/99/37/135089937.db2.gz KOURZNCFPMTIGA-VXGBXAGGSA-N 1 2 237.347 1.902 20 0 BDADLO CCC[C@@H](C)C[N@@H+]1CCOC[C@H]1C(=O)OC ZINC000252731973 135104805 /nfs/dbraw/zinc/10/48/05/135104805.db2.gz SMASNMCVVURMPN-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO CCC[C@@H](C)C[N@H+]1CCOC[C@H]1C(=O)OC ZINC000252731973 135104806 /nfs/dbraw/zinc/10/48/06/135104806.db2.gz SMASNMCVVURMPN-MNOVXSKESA-N 1 2 229.320 1.296 20 0 BDADLO O=c1ccccn1Cc1[nH+]ccn1C(F)F ZINC000078389927 135123399 /nfs/dbraw/zinc/12/33/99/135123399.db2.gz UUIFDPSSPBEIKN-UHFFFAOYSA-N 1 2 225.198 1.488 20 0 BDADLO CCCN(CCC)Cc1noc(C[NH3+])n1 ZINC000261532860 135163637 /nfs/dbraw/zinc/16/36/37/135163637.db2.gz KLBNWOAKLZIFKK-UHFFFAOYSA-N 1 2 212.297 1.150 20 0 BDADLO CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169866 135167711 /nfs/dbraw/zinc/16/77/11/135167711.db2.gz JQOHKVRTXYUXJH-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO CCOC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353169866 135167713 /nfs/dbraw/zinc/16/77/13/135167713.db2.gz JQOHKVRTXYUXJH-RKDXNWHRSA-N 1 2 223.263 1.113 20 0 BDADLO C[NH2+]Cc1noc(C23CCC(CC2)C3)n1 ZINC000261557512 135197867 /nfs/dbraw/zinc/19/78/67/135197867.db2.gz XGVWOQLMGOYRBR-UHFFFAOYSA-N 1 2 207.277 1.621 20 0 BDADLO CCC[C@@H](C)C[N@@H+]1CCOC[C@@H]1C(=O)OC ZINC000164382271 135226292 /nfs/dbraw/zinc/22/62/92/135226292.db2.gz SMASNMCVVURMPN-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO CCC[C@@H](C)C[N@H+]1CCOC[C@@H]1C(=O)OC ZINC000164382271 135226295 /nfs/dbraw/zinc/22/62/95/135226295.db2.gz SMASNMCVVURMPN-GHMZBOCLSA-N 1 2 229.320 1.296 20 0 BDADLO CCCN(CC)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261547559 135240330 /nfs/dbraw/zinc/24/03/30/135240330.db2.gz MLIHWPNGNITTPD-QMMMGPOBSA-N 1 2 220.263 1.242 20 0 BDADLO O=C(CCn1cc[nH+]c1)N[C@@H]1C=CCCC1 ZINC000342303396 135257955 /nfs/dbraw/zinc/25/79/55/135257955.db2.gz FWXYAQFZLONEEO-LLVKDONJSA-N 1 2 219.288 1.498 20 0 BDADLO F[C@@H]1C[NH2+][C@@H](c2nc([C@H]3CCCO3)no2)C1 ZINC000261947361 135265561 /nfs/dbraw/zinc/26/55/61/135265561.db2.gz FNJOGVJNTHZTHI-XLPZGREQSA-N 1 2 227.239 1.294 20 0 BDADLO F[C@@H]1C[NH2+][C@@H](c2nc([C@@H]3CCCO3)no2)C1 ZINC000261947358 135265620 /nfs/dbraw/zinc/26/56/20/135265620.db2.gz FNJOGVJNTHZTHI-RNJXMRFFSA-N 1 2 227.239 1.294 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCCn1ccnc1 ZINC000079045412 135267819 /nfs/dbraw/zinc/26/78/19/135267819.db2.gz CIBAIMKSXSPENU-UHFFFAOYSA-N 1 2 241.298 1.882 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000342386179 135269800 /nfs/dbraw/zinc/26/98/00/135269800.db2.gz LXSDVUMPSOLYRL-JHJVBQTASA-N 1 2 247.342 1.990 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC=CC[C@H]1C ZINC000342386180 135270298 /nfs/dbraw/zinc/27/02/98/135270298.db2.gz LXSDVUMPSOLYRL-UPJWGTAASA-N 1 2 247.342 1.990 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cnnc(C)c1 ZINC000342443722 135274477 /nfs/dbraw/zinc/27/44/77/135274477.db2.gz WQTABRPIVFLWOV-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO O=C(Nc1ccc(F)cn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262225562 135286447 /nfs/dbraw/zinc/28/64/47/135286447.db2.gz GCJSWQJAUSCTQR-ZETCQYMHSA-N 1 2 245.204 1.156 20 0 BDADLO Cc1nnc(C[N@H+](C)CC[C@H]2CCCO2)s1 ZINC000342600129 135301457 /nfs/dbraw/zinc/30/14/57/135301457.db2.gz JUXBISRKBGJPEW-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1nnc(C[N@@H+](C)CC[C@H]2CCCO2)s1 ZINC000342600129 135301458 /nfs/dbraw/zinc/30/14/58/135301458.db2.gz JUXBISRKBGJPEW-SNVBAGLBSA-N 1 2 241.360 1.847 20 0 BDADLO Cc1cc(N2CC(CCO)C2)nc(C(C)C)[nH+]1 ZINC000342793446 135319357 /nfs/dbraw/zinc/31/93/57/135319357.db2.gz ZXLZPWLCVKRGKY-UHFFFAOYSA-N 1 2 235.331 1.727 20 0 BDADLO Cc1c[nH+]c(CN2CCC([C@@H](C)O)CC2)n1C ZINC000342792866 135319614 /nfs/dbraw/zinc/31/96/14/135319614.db2.gz QAMGADIKELGWSI-LLVKDONJSA-N 1 2 237.347 1.321 20 0 BDADLO Cc1c[nH+]c(CN(CCO)C2CCC2)n1C ZINC000342797021 135321029 /nfs/dbraw/zinc/32/10/29/135321029.db2.gz MVNQZXVBNSCSRU-UHFFFAOYSA-N 1 2 223.320 1.075 20 0 BDADLO CCC1(O)CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342798659 135321383 /nfs/dbraw/zinc/32/13/83/135321383.db2.gz WZJSOJZOUCCLDS-UHFFFAOYSA-N 1 2 237.347 1.465 20 0 BDADLO Cc1c[nH+]c(CN2C[C@@H](C)OC(C)(C)C2)n1C ZINC000342797463 135321404 /nfs/dbraw/zinc/32/14/04/135321404.db2.gz GGLYKDHBKYKZDI-LLVKDONJSA-N 1 2 237.347 1.728 20 0 BDADLO Cc1c[nH+]c(CN2CCc3ncsc3C2)n1C ZINC000342799919 135321408 /nfs/dbraw/zinc/32/14/08/135321408.db2.gz OCMNDHOVNZPGBJ-UHFFFAOYSA-N 1 2 248.355 1.743 20 0 BDADLO CC[N@H+](CCOC)Cc1ncc(C)n1C ZINC000342798554 135321424 /nfs/dbraw/zinc/32/14/24/135321424.db2.gz VJPVIPSBWBPVOJ-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CC[N@@H+](CCOC)Cc1ncc(C)n1C ZINC000342798554 135321425 /nfs/dbraw/zinc/32/14/25/135321425.db2.gz VJPVIPSBWBPVOJ-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO CCN(CCOC)Cc1[nH+]cc(C)n1C ZINC000342798554 135321426 /nfs/dbraw/zinc/32/14/26/135321426.db2.gz VJPVIPSBWBPVOJ-UHFFFAOYSA-N 1 2 211.309 1.197 20 0 BDADLO Cc1nc2[nH]ccc2c(NC(C)(C)[C@H](C)O)[nH+]1 ZINC000342800711 135321944 /nfs/dbraw/zinc/32/19/44/135321944.db2.gz UELDAWPZLRRQKA-ZETCQYMHSA-N 1 2 234.303 1.838 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC23CCC3)s1 ZINC000334166951 135323379 /nfs/dbraw/zinc/32/33/79/135323379.db2.gz AQQDVZDGZBRXIF-UHFFFAOYSA-N 1 2 209.318 1.975 20 0 BDADLO Cc1nnc(C[N@H+]2CCC23CCC3)s1 ZINC000334166951 135323382 /nfs/dbraw/zinc/32/33/82/135323382.db2.gz AQQDVZDGZBRXIF-UHFFFAOYSA-N 1 2 209.318 1.975 20 0 BDADLO O=C(NCC1CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262930142 135324323 /nfs/dbraw/zinc/32/43/23/135324323.db2.gz HSXQUOSHMUKYLS-JTQLQIEISA-N 1 2 246.301 1.680 20 0 BDADLO O=C(NCc1ccoc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000334226282 135330170 /nfs/dbraw/zinc/33/01/70/135330170.db2.gz ZMMHSMQURVXSFC-NSHDSACASA-N 1 2 245.282 1.355 20 0 BDADLO O=C(NC1CCCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263093250 135332245 /nfs/dbraw/zinc/33/22/45/135332245.db2.gz YQJAMGBWJJIZBF-JTQLQIEISA-N 1 2 246.301 1.823 20 0 BDADLO CC1(C)CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263187021 135338038 /nfs/dbraw/zinc/33/80/38/135338038.db2.gz HLPJOGOOKLKPJM-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1nccn1C ZINC000334295016 135342263 /nfs/dbraw/zinc/34/22/63/135342263.db2.gz VJDMCTJMCPNXPR-GXSJLCMTSA-N 1 2 245.330 1.351 20 0 BDADLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC2(CCC2)C1 ZINC000263254379 135342894 /nfs/dbraw/zinc/34/28/94/135342894.db2.gz QIHFAEXLUDFERF-VIFPVBQESA-N 1 2 244.285 1.386 20 0 BDADLO O=C(c1ccccc1O)N1CCn2c[nH+]cc2C1 ZINC000334304338 135347543 /nfs/dbraw/zinc/34/75/43/135347543.db2.gz CJJLWSYPGBBFGV-UHFFFAOYSA-N 1 2 243.266 1.245 20 0 BDADLO OC1(CC[NH+]=c2[nH]c3ccccc3[nH]2)CCC1 ZINC000343140250 135360511 /nfs/dbraw/zinc/36/05/11/135360511.db2.gz NQNLGNZUEKBAIZ-UHFFFAOYSA-N 1 2 231.299 1.702 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)oc1C ZINC000334376161 135376554 /nfs/dbraw/zinc/37/65/54/135376554.db2.gz VJKSRWIHRWADBM-GHMZBOCLSA-N 1 2 249.314 1.002 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)oc1C ZINC000334376161 135376555 /nfs/dbraw/zinc/37/65/55/135376555.db2.gz VJKSRWIHRWADBM-GHMZBOCLSA-N 1 2 249.314 1.002 20 0 BDADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@H]1O ZINC000299908317 135382487 /nfs/dbraw/zinc/38/24/87/135382487.db2.gz UTNTUZWBWQNEAF-GXFFZTMASA-N 1 2 245.326 1.780 20 0 BDADLO C[C@@H]1CCN(C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000334388781 135384970 /nfs/dbraw/zinc/38/49/70/135384970.db2.gz RCDIURSLBOAVCD-SNVBAGLBSA-N 1 2 234.303 1.161 20 0 BDADLO CO[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000334393883 135385603 /nfs/dbraw/zinc/38/56/03/135385603.db2.gz VIZYOHDZNXRBQM-MRVPVSSYSA-N 1 2 247.298 1.855 20 0 BDADLO O=C(C[N@@H+]1CCCOCC1)Nc1ccccc1 ZINC000334405981 135394409 /nfs/dbraw/zinc/39/44/09/135394409.db2.gz JQGPFFUBTAZWAY-UHFFFAOYSA-N 1 2 234.299 1.347 20 0 BDADLO O=C(C[N@H+]1CCCOCC1)Nc1ccccc1 ZINC000334405981 135394410 /nfs/dbraw/zinc/39/44/10/135394410.db2.gz JQGPFFUBTAZWAY-UHFFFAOYSA-N 1 2 234.299 1.347 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CCCC1 ZINC000334426878 135397743 /nfs/dbraw/zinc/39/77/43/135397743.db2.gz ZIUHWQKLNQIJTN-CYBMUJFWSA-N 1 2 240.347 1.110 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N1CCCC1 ZINC000334426878 135397744 /nfs/dbraw/zinc/39/77/44/135397744.db2.gz ZIUHWQKLNQIJTN-CYBMUJFWSA-N 1 2 240.347 1.110 20 0 BDADLO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000090814780 135554330 /nfs/dbraw/zinc/55/43/30/135554330.db2.gz OPXPEBQMMDILLT-DCAQKATOSA-N 1 2 243.347 1.874 20 0 BDADLO O=C(Nc1cccnc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096643017 135627280 /nfs/dbraw/zinc/62/72/80/135627280.db2.gz YMDOVIHDGACLGO-SNVBAGLBSA-N 1 2 242.282 1.479 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000344084233 135741749 /nfs/dbraw/zinc/74/17/49/135741749.db2.gz CYYIEVAHJLXXLZ-IJLUTSLNSA-N 1 2 247.342 1.560 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@](C)(F)C1 ZINC000334888990 135835199 /nfs/dbraw/zinc/83/51/99/135835199.db2.gz JLLJPFOWUQNAIQ-LBPRGKRZSA-N 1 2 239.294 1.313 20 0 BDADLO CC(C)n1cc(C[N@@H+]2CCC[C@](C)(O)C2)nn1 ZINC000347846384 136012368 /nfs/dbraw/zinc/01/23/68/136012368.db2.gz DVXAIOXRXJGQKU-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO CC(C)n1cc(C[N@H+]2CCC[C@](C)(O)C2)nn1 ZINC000347846384 136012369 /nfs/dbraw/zinc/01/23/69/136012369.db2.gz DVXAIOXRXJGQKU-LBPRGKRZSA-N 1 2 238.335 1.206 20 0 BDADLO Cc1nc2[nH]ccc2c(NCCOC(C)C)[nH+]1 ZINC000347851095 136012439 /nfs/dbraw/zinc/01/24/39/136012439.db2.gz GYCHLGFMCAQWLX-UHFFFAOYSA-N 1 2 234.303 1.525 20 0 BDADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)nc(C)n1 ZINC000347913338 136018212 /nfs/dbraw/zinc/01/82/12/136018212.db2.gz PUFAKZXJTLRCOG-UHFFFAOYSA-N 1 2 242.282 1.471 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCOCC1CC1)C(=O)OC ZINC000347999708 136020661 /nfs/dbraw/zinc/02/06/61/136020661.db2.gz JKZAPOLFPCGKQM-CMPLNLGQSA-N 1 2 243.347 1.590 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCOC(C)(C)C)C(=O)OC ZINC000348016450 136021994 /nfs/dbraw/zinc/02/19/94/136021994.db2.gz YZVUONWIGGOOIP-WDEREUQCSA-N 1 2 245.363 1.979 20 0 BDADLO Cn1c[nH+]cc1CN1C[C@H](CO)c2ccccc21 ZINC000335311238 136029548 /nfs/dbraw/zinc/02/95/48/136029548.db2.gz ZTHCTGAFHBBIGT-LLVKDONJSA-N 1 2 243.310 1.516 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3ccco3)CCN12 ZINC000335313078 136031269 /nfs/dbraw/zinc/03/12/69/136031269.db2.gz MUKWFEBGKVRABT-SNVBAGLBSA-N 1 2 220.272 1.086 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccco3)CCN12 ZINC000335313078 136031270 /nfs/dbraw/zinc/03/12/70/136031270.db2.gz MUKWFEBGKVRABT-SNVBAGLBSA-N 1 2 220.272 1.086 20 0 BDADLO CCC(C)(C)CC[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC000348077074 136034376 /nfs/dbraw/zinc/03/43/76/136034376.db2.gz QOQGELJFANDENC-ZDUSSCGKSA-N 1 2 243.347 1.734 20 0 BDADLO COC(=O)C[N@H+](C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000348226713 136047980 /nfs/dbraw/zinc/04/79/80/136047980.db2.gz IGIGVORWISQFLL-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000348226713 136047981 /nfs/dbraw/zinc/04/79/81/136047981.db2.gz IGIGVORWISQFLL-NSHDSACASA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)C[N@H+](C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000348236761 136061337 /nfs/dbraw/zinc/06/13/37/136061337.db2.gz XRVLSVDTVVNEFJ-ONGXEEELSA-N 1 2 227.304 1.191 20 0 BDADLO COC(=O)C[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000348236761 136061338 /nfs/dbraw/zinc/06/13/38/136061338.db2.gz XRVLSVDTVVNEFJ-ONGXEEELSA-N 1 2 227.304 1.191 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cncc(F)c1 ZINC000335353326 136070058 /nfs/dbraw/zinc/07/00/58/136070058.db2.gz CMOFOGXQSWXSMY-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cncc(F)c1 ZINC000335353326 136070059 /nfs/dbraw/zinc/07/00/59/136070059.db2.gz CMOFOGXQSWXSMY-QWRGUYRKSA-N 1 2 228.242 1.125 20 0 BDADLO C[C@H]([NH2+]CCF)c1nnnn1-c1ccccc1 ZINC000348355568 136071911 /nfs/dbraw/zinc/07/19/11/136071911.db2.gz DNBXXIJBCRASEV-VIFPVBQESA-N 1 2 235.266 1.282 20 0 BDADLO Cc1noc(C)c1NC(=O)NCCn1cc[nH+]c1 ZINC000348414324 136077531 /nfs/dbraw/zinc/07/75/31/136077531.db2.gz LOVPFXSANPPUOB-UHFFFAOYSA-N 1 2 249.274 1.310 20 0 BDADLO CCn1nnc(C)c1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000335360310 136080624 /nfs/dbraw/zinc/08/06/24/136080624.db2.gz WBLCCAGJNYJXPG-GFCCVEGCSA-N 1 2 240.326 1.930 20 0 BDADLO CCn1nnc(C)c1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000335360310 136080625 /nfs/dbraw/zinc/08/06/25/136080625.db2.gz WBLCCAGJNYJXPG-GFCCVEGCSA-N 1 2 240.326 1.930 20 0 BDADLO CSC1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000335369989 136082868 /nfs/dbraw/zinc/08/28/68/136082868.db2.gz UTJIARUFLJLICP-UHFFFAOYSA-N 1 2 222.313 1.646 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](O)C[C@H](C)C1 ZINC000335383606 136088001 /nfs/dbraw/zinc/08/80/01/136088001.db2.gz DZIDXRFVKCKLFI-GXSJLCMTSA-N 1 2 249.314 1.047 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@H](O)C1 ZINC000335385869 136088802 /nfs/dbraw/zinc/08/88/02/136088802.db2.gz BJTJDFDVQCKAEG-QWRGUYRKSA-N 1 2 234.299 1.302 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(C)n1 ZINC000348545623 136096123 /nfs/dbraw/zinc/09/61/23/136096123.db2.gz VZNQJTPCCGJHHM-GFCCVEGCSA-N 1 2 236.315 1.773 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)n1 ZINC000348545623 136096124 /nfs/dbraw/zinc/09/61/24/136096124.db2.gz VZNQJTPCCGJHHM-GFCCVEGCSA-N 1 2 236.315 1.773 20 0 BDADLO C[C@H](NCc1[nH]cc[nH+]1)c1nc(C(C)(C)C)no1 ZINC000348552385 136096571 /nfs/dbraw/zinc/09/65/71/136096571.db2.gz VLXGISBSDIBZBN-QMMMGPOBSA-N 1 2 249.318 1.941 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547082 136097007 /nfs/dbraw/zinc/09/70/07/136097007.db2.gz CYJSTYREHAJHRA-RYUDHWBXSA-N 1 2 247.342 1.847 20 0 BDADLO CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335550400 136097676 /nfs/dbraw/zinc/09/76/76/136097676.db2.gz YOSVCEJLRIFGIL-YVNMAJEFSA-N 1 2 233.315 1.360 20 0 BDADLO O=C(N[C@H]1CC=CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335549725 136097804 /nfs/dbraw/zinc/09/78/04/136097804.db2.gz UIMOIJCLKDCFQH-RYUDHWBXSA-N 1 2 245.326 1.670 20 0 BDADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CC12CC2 ZINC000335563070 136106787 /nfs/dbraw/zinc/10/67/87/136106787.db2.gz RFIRGQDIHHHBLV-LLVKDONJSA-N 1 2 241.294 1.751 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnns2)C[C@@H](C)S1 ZINC000335569747 136108656 /nfs/dbraw/zinc/10/86/56/136108656.db2.gz DPIKUIBYJFSIIO-HTQZYQBOSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H](C)S1 ZINC000335569749 136108705 /nfs/dbraw/zinc/10/87/05/136108705.db2.gz DPIKUIBYJFSIIO-OCAPTIKFSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cnns2)C[C@H](C)S1 ZINC000335569749 136108706 /nfs/dbraw/zinc/10/87/06/136108706.db2.gz DPIKUIBYJFSIIO-OCAPTIKFSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@H]1SCC[N@H+](Cc2cnns2)[C@H]1C ZINC000335570614 136109020 /nfs/dbraw/zinc/10/90/20/136109020.db2.gz UOSQCVGLGKBBQR-JGVFFNPUSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@H]1SCC[N@@H+](Cc2cnns2)[C@H]1C ZINC000335570614 136109021 /nfs/dbraw/zinc/10/90/21/136109021.db2.gz UOSQCVGLGKBBQR-JGVFFNPUSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1SCC[N@H+](Cc2cnns2)[C@H]1C ZINC000335570616 136109211 /nfs/dbraw/zinc/10/92/11/136109211.db2.gz UOSQCVGLGKBBQR-YUMQZZPRSA-N 1 2 229.374 1.864 20 0 BDADLO C[C@@H]1SCC[N@@H+](Cc2cnns2)[C@H]1C ZINC000335570616 136109212 /nfs/dbraw/zinc/10/92/12/136109212.db2.gz UOSQCVGLGKBBQR-YUMQZZPRSA-N 1 2 229.374 1.864 20 0 BDADLO CN(C)c1ccc(CNC(=O)C2(C)CC2)c[nH+]1 ZINC000348667311 136116002 /nfs/dbraw/zinc/11/60/02/136116002.db2.gz OTGDPDVXENZYFY-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(C)noc1C ZINC000156395502 397759089 /nfs/dbraw/zinc/75/90/89/397759089.db2.gz UASYXTIUNJNXGC-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)noc1C ZINC000156395502 397759091 /nfs/dbraw/zinc/75/90/91/397759091.db2.gz UASYXTIUNJNXGC-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(O)c2)n1C ZINC000181515636 397810248 /nfs/dbraw/zinc/81/02/48/397810248.db2.gz JYBWSMKAOPEDGW-VIFPVBQESA-N 1 2 246.314 1.680 20 0 BDADLO CCN1CCC[N@H+](Cc2ccc(C)o2)CC1=O ZINC000191546860 397889730 /nfs/dbraw/zinc/88/97/30/397889730.db2.gz KBTCJIWQXDVVRZ-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO CCN1CCC[N@@H+](Cc2ccc(C)o2)CC1=O ZINC000191546860 397889731 /nfs/dbraw/zinc/88/97/31/397889731.db2.gz KBTCJIWQXDVVRZ-UHFFFAOYSA-N 1 2 236.315 1.642 20 0 BDADLO COC(=O)C[C@@H]1CCCN1c1cccc[nH+]1 ZINC000178850803 397849260 /nfs/dbraw/zinc/84/92/60/397849260.db2.gz YVUMWHYTYIIVMF-JTQLQIEISA-N 1 2 220.272 1.614 20 0 BDADLO CC[C@@H](C(=O)OC)[N@H+](C)Cc1cnn(CC)c1 ZINC000584329530 397815285 /nfs/dbraw/zinc/81/52/85/397815285.db2.gz ODBANCMZYUAJNM-NSHDSACASA-N 1 2 239.319 1.286 20 0 BDADLO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cnn(CC)c1 ZINC000584329530 397815288 /nfs/dbraw/zinc/81/52/88/397815288.db2.gz ODBANCMZYUAJNM-NSHDSACASA-N 1 2 239.319 1.286 20 0 BDADLO Cc1ncc(C[NH+]2CC3(CC3(F)F)C2)o1 ZINC000628326660 397929046 /nfs/dbraw/zinc/92/90/46/397929046.db2.gz QIDRESHHEHNGFZ-UHFFFAOYSA-N 1 2 214.215 1.824 20 0 BDADLO Cn1nnc(C[N@@H+]2CCCCC(C)(C)C2)n1 ZINC000440525612 397929472 /nfs/dbraw/zinc/92/94/72/397929472.db2.gz IXHPDFZPSNAGDN-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO Cn1nnc(C[N@H+]2CCCCC(C)(C)C2)n1 ZINC000440525612 397929476 /nfs/dbraw/zinc/92/94/76/397929476.db2.gz IXHPDFZPSNAGDN-UHFFFAOYSA-N 1 2 223.324 1.222 20 0 BDADLO [NH3+][C@@H]1CCC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000382461469 397951582 /nfs/dbraw/zinc/95/15/82/397951582.db2.gz WLOJGRUEEMSCJM-BDAKNGLRSA-N 1 2 238.360 1.519 20 0 BDADLO CC[C@@H](COC)[NH2+][C@H](CC1CC1)C(=O)OC ZINC000414480012 397953221 /nfs/dbraw/zinc/95/32/21/397953221.db2.gz ALEPWRLUUIOALA-WDEREUQCSA-N 1 2 229.320 1.343 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cc(C)no2)[C@H](C)C1 ZINC000268715646 397953277 /nfs/dbraw/zinc/95/32/77/397953277.db2.gz USUOJOYIVYFVCQ-SNVBAGLBSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cc(C)no2)[C@H](C)C1 ZINC000268715646 397953280 /nfs/dbraw/zinc/95/32/80/397953280.db2.gz USUOJOYIVYFVCQ-SNVBAGLBSA-N 1 2 237.303 1.036 20 0 BDADLO COCC1([N@H+](C)Cc2cc3n(n2)CCC3)CC1 ZINC000649570582 397961159 /nfs/dbraw/zinc/96/11/59/397961159.db2.gz HECYNFCTLGUMMK-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO COCC1([N@@H+](C)Cc2cc3n(n2)CCC3)CC1 ZINC000649570582 397961166 /nfs/dbraw/zinc/96/11/66/397961166.db2.gz HECYNFCTLGUMMK-UHFFFAOYSA-N 1 2 235.331 1.440 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000492821967 397898825 /nfs/dbraw/zinc/89/88/25/397898825.db2.gz GEOJIJQLPXHXJJ-XXJOZFEBSA-N 1 2 231.299 1.681 20 0 BDADLO COc1ccc(NCc2conc2C)[nH+]c1 ZINC000382183477 397919277 /nfs/dbraw/zinc/91/92/77/397919277.db2.gz BFPQPUXZRSQBFX-UHFFFAOYSA-N 1 2 219.244 1.421 20 0 BDADLO CC[C@@H](C)[C@H](OC)C(=O)Nc1cc[nH+]cc1C ZINC000355785610 397922116 /nfs/dbraw/zinc/92/21/16/397922116.db2.gz ABQFUNZGSLDVDA-SKDRFNHKSA-N 1 2 236.315 1.812 20 0 BDADLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000642714417 398000351 /nfs/dbraw/zinc/00/03/51/398000351.db2.gz IUPAAFQAMMILSV-SNVBAGLBSA-N 1 2 248.330 1.597 20 0 BDADLO CCOC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000649650449 398021072 /nfs/dbraw/zinc/02/10/72/398021072.db2.gz YMJHYZGJFHIFIM-VIFPVBQESA-N 1 2 238.335 1.675 20 0 BDADLO Cc1cnc(C[NH+]2CCC(C3(O)CC3)CC2)nc1 ZINC000649671284 398032737 /nfs/dbraw/zinc/03/27/37/398032737.db2.gz PMYDMAYWPASBDB-UHFFFAOYSA-N 1 2 247.342 1.522 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCCO1 ZINC000277769274 398033621 /nfs/dbraw/zinc/03/36/21/398033621.db2.gz SUOUYSCDVYFWEP-LLVKDONJSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCCO1 ZINC000277769274 398033626 /nfs/dbraw/zinc/03/36/26/398033626.db2.gz SUOUYSCDVYFWEP-LLVKDONJSA-N 1 2 237.303 1.028 20 0 BDADLO C=Cn1cc(C[N@@H+](C)C(C)(C)C(=O)OC)cn1 ZINC000447749099 397977684 /nfs/dbraw/zinc/97/76/84/397977684.db2.gz YZXPEIYLQIQCCX-UHFFFAOYSA-N 1 2 237.303 1.367 20 0 BDADLO C=Cn1cc(C[N@H+](C)C(C)(C)C(=O)OC)cn1 ZINC000447749099 397977686 /nfs/dbraw/zinc/97/76/86/397977686.db2.gz YZXPEIYLQIQCCX-UHFFFAOYSA-N 1 2 237.303 1.367 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ncccn2)[C@H](CC)CO1 ZINC000649718004 398059335 /nfs/dbraw/zinc/05/93/35/398059335.db2.gz QBIYZHWXVFVTLC-VXGBXAGGSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ncccn2)[C@H](CC)CO1 ZINC000649718004 398059336 /nfs/dbraw/zinc/05/93/36/398059336.db2.gz QBIYZHWXVFVTLC-VXGBXAGGSA-N 1 2 235.331 1.866 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](CC)CO1 ZINC000649720574 398062514 /nfs/dbraw/zinc/06/25/14/398062514.db2.gz LMVNEJDBESWMLF-WCQYABFASA-N 1 2 237.347 1.810 20 0 BDADLO CCCCNC(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730747 398068740 /nfs/dbraw/zinc/06/87/40/398068740.db2.gz XFQDNEBMLWHLHJ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CCCCNC(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730747 398068743 /nfs/dbraw/zinc/06/87/43/398068743.db2.gz XFQDNEBMLWHLHJ-NWDGAFQWSA-N 1 2 242.363 1.402 20 0 BDADLO CC[C@@H]1CN(Cc2[nH+]ccn2CC)[C@@H](C)CO1 ZINC000649731070 398070170 /nfs/dbraw/zinc/07/01/70/398070170.db2.gz CEEGSXULWQBSPP-NWDGAFQWSA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)[C@H](C)CO1 ZINC000649734550 398074906 /nfs/dbraw/zinc/07/49/06/398074906.db2.gz YJNIIQGRPBAKFQ-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)[C@H](C)CO1 ZINC000649734550 398074910 /nfs/dbraw/zinc/07/49/10/398074910.db2.gz YJNIIQGRPBAKFQ-DGCLKSJQSA-N 1 2 237.347 1.728 20 0 BDADLO CC(C)=CCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291541483 398094211 /nfs/dbraw/zinc/09/42/11/398094211.db2.gz MCHXAOJGKSTMEA-UHFFFAOYSA-N 1 2 248.330 1.765 20 0 BDADLO CO[C@](C)(CNC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000291577985 398095597 /nfs/dbraw/zinc/09/55/97/398095597.db2.gz YPAFBBRFUNQBKF-GFCCVEGCSA-N 1 2 237.303 1.263 20 0 BDADLO CC[N@H+](Cc1nnc(C)[nH]1)[C@@H]1CCCOC1 ZINC000649755449 398086432 /nfs/dbraw/zinc/08/64/32/398086432.db2.gz ODMOMSCTVFARCK-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CC[N@@H+](Cc1nnc(C)[nH]1)[C@@H]1CCCOC1 ZINC000649755449 398086434 /nfs/dbraw/zinc/08/64/34/398086434.db2.gz ODMOMSCTVFARCK-SNVBAGLBSA-N 1 2 224.308 1.114 20 0 BDADLO CC[N@H+](Cc1csnn1)[C@@H]1CCCOC1 ZINC000649755714 398086545 /nfs/dbraw/zinc/08/65/45/398086545.db2.gz VPRPEOSKRTWHOR-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO CC[N@@H+](Cc1csnn1)[C@@H]1CCCOC1 ZINC000649755714 398086550 /nfs/dbraw/zinc/08/65/50/398086550.db2.gz VPRPEOSKRTWHOR-SNVBAGLBSA-N 1 2 227.333 1.539 20 0 BDADLO c1cnn([C@@H]2CC[N@@H+](Cc3nccs3)C2)c1 ZINC000291211043 398090829 /nfs/dbraw/zinc/09/08/29/398090829.db2.gz IMGYPRIENIUMRQ-SNVBAGLBSA-N 1 2 234.328 1.787 20 0 BDADLO c1cnn([C@@H]2CC[N@H+](Cc3nccs3)C2)c1 ZINC000291211043 398090832 /nfs/dbraw/zinc/09/08/32/398090832.db2.gz IMGYPRIENIUMRQ-SNVBAGLBSA-N 1 2 234.328 1.787 20 0 BDADLO Cn1c[nH+]cc1COc1ccccc1CC(N)=O ZINC000340076106 398058249 /nfs/dbraw/zinc/05/82/49/398058249.db2.gz VLGUEAJEZJQHRJ-UHFFFAOYSA-N 1 2 245.282 1.027 20 0 BDADLO Cn1cccc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000291608991 398097029 /nfs/dbraw/zinc/09/70/29/398097029.db2.gz QWMZPQQSOIJOGM-UHFFFAOYSA-N 1 2 242.322 1.729 20 0 BDADLO Cc1cc(C[N@H+]2C[C@@H](C)OCC23CCC3)nn1C ZINC000649823873 398126135 /nfs/dbraw/zinc/12/61/35/398126135.db2.gz PKNJRNQCHXINDU-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)nn1C ZINC000649823873 398126138 /nfs/dbraw/zinc/12/61/38/398126138.db2.gz PKNJRNQCHXINDU-GFCCVEGCSA-N 1 2 249.358 1.872 20 0 BDADLO CC(C)(C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000564336063 398134998 /nfs/dbraw/zinc/13/49/98/398134998.db2.gz SRVDRWQKKPBEBC-NSHDSACASA-N 1 2 249.358 1.998 20 0 BDADLO CC(C)COC(=O)C[NH+]1CCC2(CCO2)CC1 ZINC000367245141 167020219 /nfs/dbraw/zinc/02/02/19/167020219.db2.gz VPQCZXBFLQSYRW-UHFFFAOYSA-N 1 2 241.331 1.441 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)NCCC1CC1 ZINC000296517537 487568648 /nfs/dbraw/zinc/56/86/48/487568648.db2.gz OWWJTGXNTIAZEW-UHFFFAOYSA-N 1 2 236.319 1.502 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000674413376 487572245 /nfs/dbraw/zinc/57/22/45/487572245.db2.gz IHYNNRJHKRDJLO-WDEREUQCSA-N 1 2 243.314 1.897 20 0 BDADLO CC(C)OCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000366685639 167212695 /nfs/dbraw/zinc/21/26/95/167212695.db2.gz YEXTVHJTQWTOQW-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000366685639 167212699 /nfs/dbraw/zinc/21/26/99/167212699.db2.gz YEXTVHJTQWTOQW-SNVBAGLBSA-N 1 2 237.290 1.503 20 0 BDADLO CC(C)OCC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000366665317 167231148 /nfs/dbraw/zinc/23/11/48/167231148.db2.gz QNUOHZAEMJZEKP-JTQLQIEISA-N 1 2 225.292 1.632 20 0 BDADLO CC(C)OCC[N@H+]1CCC[C@H]1c1ncon1 ZINC000366665317 167231149 /nfs/dbraw/zinc/23/11/49/167231149.db2.gz QNUOHZAEMJZEKP-JTQLQIEISA-N 1 2 225.292 1.632 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000674513061 487585996 /nfs/dbraw/zinc/58/59/96/487585996.db2.gz FWFQVGJFFYHFLN-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000680418856 487590343 /nfs/dbraw/zinc/59/03/43/487590343.db2.gz LVFQGPIAEIXQEN-JGVFFNPUSA-N 1 2 235.291 1.523 20 0 BDADLO CC[C@H]1C[N@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667493978 487591434 /nfs/dbraw/zinc/59/14/34/487591434.db2.gz JRHCRWIZLFCUOV-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2ccnn2CC2CC2)CCO1 ZINC000667493978 487591442 /nfs/dbraw/zinc/59/14/42/487591442.db2.gz JRHCRWIZLFCUOV-AWEZNQCLSA-N 1 2 249.358 1.904 20 0 BDADLO CCc1noc(C[NH2+]C(C)(C)c2cnn(C)c2)n1 ZINC000680423405 487591812 /nfs/dbraw/zinc/59/18/12/487591812.db2.gz NFZRHGSIWASEMC-UHFFFAOYSA-N 1 2 249.318 1.390 20 0 BDADLO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCC1=O ZINC000334182527 487594065 /nfs/dbraw/zinc/59/40/65/487594065.db2.gz BYWDSEDKRXTJGX-APPZFPTMSA-N 1 2 239.237 1.211 20 0 BDADLO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCC1=O ZINC000334182527 487594074 /nfs/dbraw/zinc/59/40/74/487594074.db2.gz BYWDSEDKRXTJGX-APPZFPTMSA-N 1 2 239.237 1.211 20 0 BDADLO Cc1ncc(NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC000530289102 487595149 /nfs/dbraw/zinc/59/51/49/487595149.db2.gz NJIISNIZOVNKQF-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO Cc1ncc(NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC000530289102 487595150 /nfs/dbraw/zinc/59/51/50/487595150.db2.gz NJIISNIZOVNKQF-UHFFFAOYSA-N 1 2 236.300 1.746 20 0 BDADLO CC(C)CO[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000119637884 487602952 /nfs/dbraw/zinc/60/29/52/487602952.db2.gz AIHHFSXGSDAWIR-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000119637884 487602959 /nfs/dbraw/zinc/60/29/59/487602959.db2.gz AIHHFSXGSDAWIR-LLVKDONJSA-N 1 2 238.335 1.062 20 0 BDADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000556738466 322921291 /nfs/dbraw/zinc/92/12/91/322921291.db2.gz HUZQCYMPCDBBQD-VWYCJHECSA-N 1 2 219.288 1.188 20 0 BDADLO Cc1nnc(CC[NH2+][C@@H](C)c2c[nH]nc2C)[nH]1 ZINC000679575738 487608319 /nfs/dbraw/zinc/60/83/19/487608319.db2.gz RBLRROGLROMRAH-ZETCQYMHSA-N 1 2 234.307 1.038 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCC[C@@H](C)O)s1 ZINC000662256392 409552127 /nfs/dbraw/zinc/55/21/27/409552127.db2.gz LJHKHPPKBAEVQQ-MRVPVSSYSA-N 1 2 229.349 1.439 20 0 BDADLO Cc1nnc(C[N@H+](C)CCC[C@@H](C)O)s1 ZINC000662256392 409552137 /nfs/dbraw/zinc/55/21/37/409552137.db2.gz LJHKHPPKBAEVQQ-MRVPVSSYSA-N 1 2 229.349 1.439 20 0 BDADLO CCOCCC[N@H+](C)Cc1nc(C)no1 ZINC000653890773 487610161 /nfs/dbraw/zinc/61/01/61/487610161.db2.gz MTYNNRFNNIPHCJ-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO CCOCCC[N@@H+](C)Cc1nc(C)no1 ZINC000653890773 487610163 /nfs/dbraw/zinc/61/01/63/487610163.db2.gz MTYNNRFNNIPHCJ-UHFFFAOYSA-N 1 2 213.281 1.236 20 0 BDADLO C[C@@]1(C(F)F)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000662372653 409680429 /nfs/dbraw/zinc/68/04/29/409680429.db2.gz VKVDWYXMPFVPGA-JTQLQIEISA-N 1 2 231.246 1.266 20 0 BDADLO C[C@@]1(C(F)F)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000662372653 409680438 /nfs/dbraw/zinc/68/04/38/409680438.db2.gz VKVDWYXMPFVPGA-JTQLQIEISA-N 1 2 231.246 1.266 20 0 BDADLO Cc1cnc(NC(=O)CCCn2cc[nH+]c2)o1 ZINC000674748948 487610516 /nfs/dbraw/zinc/61/05/16/487610516.db2.gz BTLOLNUQFDTJOC-UHFFFAOYSA-N 1 2 234.259 1.598 20 0 BDADLO Cc1nc(C[N@H+]2CCCc3c(cnn3C)C2)co1 ZINC000660799193 409761629 /nfs/dbraw/zinc/76/16/29/409761629.db2.gz RWGPZPOREUEPOQ-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO Cc1nc(C[N@@H+]2CCCc3c(cnn3C)C2)co1 ZINC000660799193 409761635 /nfs/dbraw/zinc/76/16/35/409761635.db2.gz RWGPZPOREUEPOQ-UHFFFAOYSA-N 1 2 246.314 1.665 20 0 BDADLO C[N@H+](CCCc1ccccc1)Cc1n[nH]c(=O)o1 ZINC000660849479 409863690 /nfs/dbraw/zinc/86/36/90/409863690.db2.gz CUBWANLWFBZWJH-UHFFFAOYSA-N 1 2 247.298 1.840 20 0 BDADLO C[N@@H+](CCCc1ccccc1)Cc1n[nH]c(=O)o1 ZINC000660849479 409863701 /nfs/dbraw/zinc/86/37/01/409863701.db2.gz CUBWANLWFBZWJH-UHFFFAOYSA-N 1 2 247.298 1.840 20 0 BDADLO CCOC(=O)C[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000188527363 410012970 /nfs/dbraw/zinc/01/29/70/410012970.db2.gz ODOHBRMPGDDHFG-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO CCOC(=O)C[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000188527363 410012977 /nfs/dbraw/zinc/01/29/77/410012977.db2.gz ODOHBRMPGDDHFG-VHSXEESVSA-N 1 2 215.293 1.049 20 0 BDADLO C[C@H]1C[C@@H](NC(=O)N2CC=CCC2)c2[nH+]ccn21 ZINC000653175712 410151641 /nfs/dbraw/zinc/15/16/41/410151641.db2.gz UOEQUOVOHABPRL-WDEREUQCSA-N 1 2 246.314 1.860 20 0 BDADLO Cc1nc([C@H](C)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000661090887 410161940 /nfs/dbraw/zinc/16/19/40/410161940.db2.gz URWGEWULCFKLNA-ZETCQYMHSA-N 1 2 221.264 1.294 20 0 BDADLO Cc1nc([C@H](C)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000661090887 410161949 /nfs/dbraw/zinc/16/19/49/410161949.db2.gz URWGEWULCFKLNA-ZETCQYMHSA-N 1 2 221.264 1.294 20 0 BDADLO COc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000655402701 410208978 /nfs/dbraw/zinc/20/89/78/410208978.db2.gz MPZQHOWXPRCEAB-SSDOTTSWSA-N 1 2 235.243 1.502 20 0 BDADLO CCc1cc(NC[C@H](OC)[C@H](C)CC)nc[nH+]1 ZINC000394454640 410337997 /nfs/dbraw/zinc/33/79/97/410337997.db2.gz IMDXITJTGZYGRE-PWSUYJOCSA-N 1 2 237.347 1.934 20 0 BDADLO Cc1ccn(Cc2ccc(C)[nH+]c2C)c(=O)n1 ZINC000663965242 410406277 /nfs/dbraw/zinc/40/62/77/410406277.db2.gz BEJLPQFFKVAIGF-UHFFFAOYSA-N 1 2 229.283 1.612 20 0 BDADLO Cc1ncn(Cc2ccc(C)[nH+]c2C)n1 ZINC000664084183 410455530 /nfs/dbraw/zinc/45/55/30/410455530.db2.gz RGXJNOJDLHDACB-UHFFFAOYSA-N 1 2 202.261 1.647 20 0 BDADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000046601657 410513370 /nfs/dbraw/zinc/51/33/70/410513370.db2.gz IKOAIVRHILFXIT-UHFFFAOYSA-N 1 2 229.283 1.517 20 0 BDADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000046601657 410513378 /nfs/dbraw/zinc/51/33/78/410513378.db2.gz IKOAIVRHILFXIT-UHFFFAOYSA-N 1 2 229.283 1.517 20 0 BDADLO OC/C=C/CNc1cc(NC2CC2)[nH+]cn1 ZINC000664237118 410523368 /nfs/dbraw/zinc/52/33/68/410523368.db2.gz RJNWVAWPQVGOMK-OWOJBTEDSA-N 1 2 220.276 1.011 20 0 BDADLO OC/C=C/CNc1cc(NC2CC2)nc[nH+]1 ZINC000664237118 410523375 /nfs/dbraw/zinc/52/33/75/410523375.db2.gz RJNWVAWPQVGOMK-OWOJBTEDSA-N 1 2 220.276 1.011 20 0 BDADLO Cc1nc(N2CC[C@H]3COC[C@H]3C2)c(C)c(C)[nH+]1 ZINC000664555634 410601025 /nfs/dbraw/zinc/60/10/25/410601025.db2.gz GYOJVVZQSSRQEV-QWHCGFSZSA-N 1 2 247.342 1.875 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@@](C)(CO)C2)nc[nH+]1 ZINC000664596467 410609535 /nfs/dbraw/zinc/60/95/35/410609535.db2.gz SWTKZHDASRIGRY-BXKDBHETSA-N 1 2 221.304 1.240 20 0 BDADLO C[N@H+](Cc1nc(-c2ccoc2)no1)C1CC(O)C1 ZINC000680580956 487617908 /nfs/dbraw/zinc/61/79/08/487617908.db2.gz JXAWDBCZEWFLAW-UHFFFAOYSA-N 1 2 249.270 1.285 20 0 BDADLO C[N@@H+](Cc1nc(-c2ccoc2)no1)C1CC(O)C1 ZINC000680580956 487617912 /nfs/dbraw/zinc/61/79/12/487617912.db2.gz JXAWDBCZEWFLAW-UHFFFAOYSA-N 1 2 249.270 1.285 20 0 BDADLO Cc1nnc(C[N@H+](C)CCO[C@@H]2CC2(F)F)o1 ZINC000661529010 410728700 /nfs/dbraw/zinc/72/87/00/410728700.db2.gz YEVDKWCIYWOUPX-MRVPVSSYSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1nnc(C[N@@H+](C)CCO[C@@H]2CC2(F)F)o1 ZINC000661529010 410728702 /nfs/dbraw/zinc/72/87/02/410728702.db2.gz YEVDKWCIYWOUPX-MRVPVSSYSA-N 1 2 247.245 1.234 20 0 BDADLO Cc1nnc(C[N@@H+](C)C[C@H]2CC[C@@H](C)O2)o1 ZINC000661529344 410729739 /nfs/dbraw/zinc/72/97/39/410729739.db2.gz VZFWVSAEFMKUQY-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nnc(C[N@H+](C)C[C@H]2CC[C@@H](C)O2)o1 ZINC000661529344 410729742 /nfs/dbraw/zinc/72/97/42/410729742.db2.gz VZFWVSAEFMKUQY-PSASIEDQSA-N 1 2 225.292 1.377 20 0 BDADLO Cc1nocc1C[NH2+]Cc1cscn1 ZINC000393545159 410750662 /nfs/dbraw/zinc/75/06/62/410750662.db2.gz GRDJQYBXYJBNIZ-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CC(C)C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000336784475 166758354 /nfs/dbraw/zinc/75/83/54/166758354.db2.gz QHJFQDCLDKWANW-UHFFFAOYSA-N 1 2 249.362 1.876 20 0 BDADLO CC[C@H](CO)[N@H+](C)CC(=O)c1ccccc1F ZINC000393971579 410768817 /nfs/dbraw/zinc/76/88/17/410768817.db2.gz QLSUHLPVPNIBCY-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO CC[C@H](CO)[N@@H+](C)CC(=O)c1ccccc1F ZINC000393971579 410768820 /nfs/dbraw/zinc/76/88/20/410768820.db2.gz QLSUHLPVPNIBCY-SNVBAGLBSA-N 1 2 239.290 1.711 20 0 BDADLO CC(C)(C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651058513 410777041 /nfs/dbraw/zinc/77/70/41/410777041.db2.gz WLLMAOSHRBJLTP-UHFFFAOYSA-N 1 2 235.331 1.677 20 0 BDADLO Cc1cc(C[N@@H+]2CCOC[C@H]2CO)c(C)s1 ZINC000661562804 410837447 /nfs/dbraw/zinc/83/74/47/410837447.db2.gz UBSGAZOLKBZTMX-GFCCVEGCSA-N 1 2 241.356 1.558 20 0 BDADLO Cc1cc(C[N@H+]2CCOC[C@H]2CO)c(C)s1 ZINC000661562804 410837450 /nfs/dbraw/zinc/83/74/50/410837450.db2.gz UBSGAZOLKBZTMX-GFCCVEGCSA-N 1 2 241.356 1.558 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000378447472 167021161 /nfs/dbraw/zinc/02/11/61/167021161.db2.gz HMUUHMCOUZPFCH-NSHDSACASA-N 1 2 229.320 1.154 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000378447472 167021163 /nfs/dbraw/zinc/02/11/63/167021163.db2.gz HMUUHMCOUZPFCH-NSHDSACASA-N 1 2 229.320 1.154 20 0 BDADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000267020696 167049813 /nfs/dbraw/zinc/04/98/13/167049813.db2.gz BEMWTHZDVHSOLI-LLVKDONJSA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000267020696 167049815 /nfs/dbraw/zinc/04/98/15/167049815.db2.gz BEMWTHZDVHSOLI-LLVKDONJSA-N 1 2 235.331 1.599 20 0 BDADLO CC(C)NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375007057 167051365 /nfs/dbraw/zinc/05/13/65/167051365.db2.gz XXCCZFSIAVEANV-JTQLQIEISA-N 1 2 236.319 1.071 20 0 BDADLO CC(C)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291173385 167147115 /nfs/dbraw/zinc/14/71/15/167147115.db2.gz JZUILSUFSRSOJL-UHFFFAOYSA-N 1 2 247.342 1.439 20 0 BDADLO CC(C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291173385 167147118 /nfs/dbraw/zinc/14/71/18/167147118.db2.gz JZUILSUFSRSOJL-UHFFFAOYSA-N 1 2 247.342 1.439 20 0 BDADLO CC(C)[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290858621 167350024 /nfs/dbraw/zinc/35/00/24/167350024.db2.gz BIBVLBYIZDCIFC-SNVBAGLBSA-N 1 2 221.304 1.517 20 0 BDADLO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376954486 167360211 /nfs/dbraw/zinc/36/02/11/167360211.db2.gz LFNIWXSDFILSTN-NWDGAFQWSA-N 1 2 249.358 1.854 20 0 BDADLO Cc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]n1 ZINC000651340690 410924058 /nfs/dbraw/zinc/92/40/58/410924058.db2.gz GGSWXALHPJGCKT-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO Cc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)n[nH]1 ZINC000651340690 410924063 /nfs/dbraw/zinc/92/40/63/410924063.db2.gz GGSWXALHPJGCKT-SNVBAGLBSA-N 1 2 247.302 1.182 20 0 BDADLO CN(C[C@@H]1CCCCO1)c1cc(CO)cc[nH+]1 ZINC000042465341 411006625 /nfs/dbraw/zinc/00/66/25/411006625.db2.gz IKEWZYZHOYNMJF-LBPRGKRZSA-N 1 2 236.315 1.579 20 0 BDADLO OC[C@H](CCF)Nc1cc(NC2CC2)[nH+]cn1 ZINC000651463625 411046869 /nfs/dbraw/zinc/04/68/69/411046869.db2.gz XOVTXANFOBRZHA-VIFPVBQESA-N 1 2 240.282 1.183 20 0 BDADLO OC[C@H](CCF)Nc1cc(NC2CC2)nc[nH+]1 ZINC000651463625 411046872 /nfs/dbraw/zinc/04/68/72/411046872.db2.gz XOVTXANFOBRZHA-VIFPVBQESA-N 1 2 240.282 1.183 20 0 BDADLO Cc1cc(N(C)[C@H](C)CCO)nc(C2CC2)[nH+]1 ZINC000651470947 411051158 /nfs/dbraw/zinc/05/11/58/411051158.db2.gz DWLRUAATQBEXJL-SNVBAGLBSA-N 1 2 235.331 1.870 20 0 BDADLO C[C@H](CCO)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000651471413 411051682 /nfs/dbraw/zinc/05/16/82/411051682.db2.gz SZJPPEAOFHVNOU-SECBINFHSA-N 1 2 221.304 1.561 20 0 BDADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000651474390 411057912 /nfs/dbraw/zinc/05/79/12/411057912.db2.gz KETDZEIWOXEZMS-UFBFGSQYSA-N 1 2 223.320 1.530 20 0 BDADLO Cc1nc(N2CCC([C@H](C)CO)CC2)cc[nH+]1 ZINC000651431351 411021444 /nfs/dbraw/zinc/02/14/44/411021444.db2.gz VRKBMIUFWHJPLB-SNVBAGLBSA-N 1 2 235.331 1.630 20 0 BDADLO O[C@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000584600512 411139417 /nfs/dbraw/zinc/13/94/17/411139417.db2.gz OJSGBPIOQXYCRI-PHIMTYICSA-N 1 2 214.268 2.170 20 0 BDADLO C=Cn1cc(C[N@H+]2C[C@H](CC)OC[C@@H]2C)cn1 ZINC000651932222 411150721 /nfs/dbraw/zinc/15/07/21/411150721.db2.gz OFDDEIOPWRQQHT-AAEUAGOBSA-N 1 2 235.331 1.983 20 0 BDADLO C=Cn1cc(C[N@@H+]2C[C@H](CC)OC[C@@H]2C)cn1 ZINC000651932222 411150722 /nfs/dbraw/zinc/15/07/22/411150722.db2.gz OFDDEIOPWRQQHT-AAEUAGOBSA-N 1 2 235.331 1.983 20 0 BDADLO CC[C@H]1C[N@H+](Cc2cncn2CC)[C@H](C)CO1 ZINC000651932124 411150890 /nfs/dbraw/zinc/15/08/90/411150890.db2.gz LUFCVNBCEUCKJH-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC[C@H]1C[N@@H+](Cc2cncn2CC)[C@H](C)CO1 ZINC000651932124 411150891 /nfs/dbraw/zinc/15/08/91/411150891.db2.gz LUFCVNBCEUCKJH-YPMHNXCESA-N 1 2 237.347 1.902 20 0 BDADLO CC(C)c1nc(N[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC000301337659 167688008 /nfs/dbraw/zinc/68/80/08/167688008.db2.gz CWPOXTXYNIDLSD-NXEZZACHSA-N 1 2 221.304 1.925 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)COC)c1 ZINC000652067693 411103071 /nfs/dbraw/zinc/10/30/71/411103071.db2.gz DFAVGCZIUNIIET-VIFPVBQESA-N 1 2 210.277 1.675 20 0 BDADLO CCc1nc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)no1 ZINC000661630469 411108047 /nfs/dbraw/zinc/10/80/47/411108047.db2.gz KPBWCVYKBOKBKX-RKDXNWHRSA-N 1 2 239.319 1.081 20 0 BDADLO Cc1cc(C[N@@H+]2CCC[C@H](F)C2)nn1C ZINC000652076269 411108092 /nfs/dbraw/zinc/10/80/92/411108092.db2.gz XITJUBOFLUWXLN-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO Cc1cc(C[N@H+]2CCC[C@H](F)C2)nn1C ZINC000652076269 411108096 /nfs/dbraw/zinc/10/80/96/411108096.db2.gz XITJUBOFLUWXLN-JTQLQIEISA-N 1 2 211.284 1.662 20 0 BDADLO O=C(C[N@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000061710939 411178707 /nfs/dbraw/zinc/17/87/07/411178707.db2.gz KRNBPSLVAPWSJH-SECBINFHSA-N 1 2 223.247 1.075 20 0 BDADLO O=C(C[N@@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000061710939 411178709 /nfs/dbraw/zinc/17/87/09/411178709.db2.gz KRNBPSLVAPWSJH-SECBINFHSA-N 1 2 223.247 1.075 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@H]1CCCO1 ZINC000656103862 411178983 /nfs/dbraw/zinc/17/89/83/411178983.db2.gz NVYFBEPCIGMNGX-SECBINFHSA-N 1 2 223.276 1.385 20 0 BDADLO COc1c(C)[nH+]cnc1NC[C@@H]1C[C@@H]1C ZINC000656108707 411179910 /nfs/dbraw/zinc/17/99/10/411179910.db2.gz OPXGIAAKGOQTFA-CBAPKCEASA-N 1 2 207.277 1.862 20 0 BDADLO COc1c(C)[nH+]cnc1N1CCC(CO)CC1 ZINC000656109068 411180500 /nfs/dbraw/zinc/18/05/00/411180500.db2.gz OCPWWLYJPKRHKS-UHFFFAOYSA-N 1 2 237.303 1.002 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC1CC1 ZINC000656110354 411181114 /nfs/dbraw/zinc/18/11/14/411181114.db2.gz JOEJPPJUILUVOD-UHFFFAOYSA-N 1 2 207.277 1.640 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)CC(C)(C)O ZINC000656126342 411183330 /nfs/dbraw/zinc/18/33/30/411183330.db2.gz GOZMDRHYGMRWQG-UHFFFAOYSA-N 1 2 225.292 1.001 20 0 BDADLO Cc1c[nH+]c(C)nc1NCC[C@H](O)C(C)C ZINC000656130828 411184038 /nfs/dbraw/zinc/18/40/38/411184038.db2.gz YRJOYBQGPDYKEP-NSHDSACASA-N 1 2 223.320 1.912 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@H]1CCOC1 ZINC000656141593 411185231 /nfs/dbraw/zinc/18/52/31/411185231.db2.gz WZKKJQVRYPPMJY-SNVBAGLBSA-N 1 2 237.303 1.266 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@]2(CCOC2)C1 ZINC000656146348 411185921 /nfs/dbraw/zinc/18/59/21/411185921.db2.gz HKHJQKYTAIPFEU-ZDUSSCGKSA-N 1 2 249.314 1.410 20 0 BDADLO CCNC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000653700415 411193623 /nfs/dbraw/zinc/19/36/23/411193623.db2.gz XCZRKRGZMYFWMG-UHFFFAOYSA-N 1 2 245.326 1.307 20 0 BDADLO CCNC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000653700415 411193625 /nfs/dbraw/zinc/19/36/25/411193625.db2.gz XCZRKRGZMYFWMG-UHFFFAOYSA-N 1 2 245.326 1.307 20 0 BDADLO COC[C@H](O)C[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830983 411196080 /nfs/dbraw/zinc/19/60/80/411196080.db2.gz QDODFUXJACFVPI-SNVBAGLBSA-N 1 2 243.253 1.288 20 0 BDADLO COc1c(C)[nH+]cnc1N(C)C[C@@H](C)OC ZINC000656188194 411196522 /nfs/dbraw/zinc/19/65/22/411196522.db2.gz YDJVKTDPNKEZCZ-MRVPVSSYSA-N 1 2 225.292 1.265 20 0 BDADLO Cc1nnsc1CNc1nc(C)[nH+]cc1C ZINC000656190720 411197560 /nfs/dbraw/zinc/19/75/60/411197560.db2.gz NJJLLVPQKHXNOL-UHFFFAOYSA-N 1 2 235.316 1.865 20 0 BDADLO COc1c(C)[nH+]cnc1NCCc1cn[nH]c1 ZINC000656189067 411197595 /nfs/dbraw/zinc/19/75/95/411197595.db2.gz QATKLDIECWAEKJ-UHFFFAOYSA-N 1 2 233.275 1.171 20 0 BDADLO COc1c(C)[nH+]cnc1NCC[C@H](C)F ZINC000656191891 411198215 /nfs/dbraw/zinc/19/82/15/411198215.db2.gz CVQGUHVYVIRYRG-ZETCQYMHSA-N 1 2 213.256 1.954 20 0 BDADLO COc1c(C)[nH+]cnc1N[C@@H]1CO[C@H](C)C1 ZINC000656204431 411208619 /nfs/dbraw/zinc/20/86/19/411208619.db2.gz UVLGXNUJFVNTIH-APPZFPTMSA-N 1 2 223.276 1.383 20 0 BDADLO Cc1noc(C[N@@H+](C)C[C@H](O)CCC(C)C)n1 ZINC000653889071 411209686 /nfs/dbraw/zinc/20/96/86/411209686.db2.gz QHSZRZVZNBDLMU-LLVKDONJSA-N 1 2 241.335 1.607 20 0 BDADLO Cc1noc(C[N@H+](C)C[C@H](O)CCC(C)C)n1 ZINC000653889071 411209689 /nfs/dbraw/zinc/20/96/89/411209689.db2.gz QHSZRZVZNBDLMU-LLVKDONJSA-N 1 2 241.335 1.607 20 0 BDADLO CC(C)n1ccnc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653898950 411214137 /nfs/dbraw/zinc/21/41/37/411214137.db2.gz UNLPHCLCXJFSCX-LLVKDONJSA-N 1 2 237.347 1.809 20 0 BDADLO CC(C)n1ccnc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653898950 411214139 /nfs/dbraw/zinc/21/41/39/411214139.db2.gz UNLPHCLCXJFSCX-LLVKDONJSA-N 1 2 237.347 1.809 20 0 BDADLO Cc1cc(N(C[C@@H](C)O)C2CC2)nc[nH+]1 ZINC000656229996 411216336 /nfs/dbraw/zinc/21/63/36/411216336.db2.gz JPLOOJJQZBFNAB-SECBINFHSA-N 1 2 207.277 1.135 20 0 BDADLO CCn1nccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265496 411220394 /nfs/dbraw/zinc/22/03/94/411220394.db2.gz AEXXZUUPKWJULU-UHFFFAOYSA-N 1 2 227.258 1.744 20 0 BDADLO Cc1n[nH]cc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265827 411221889 /nfs/dbraw/zinc/22/18/89/411221889.db2.gz KFGUDXUIKKVKCY-UHFFFAOYSA-N 1 2 213.231 1.559 20 0 BDADLO CC(F)(F)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000289289609 167807697 /nfs/dbraw/zinc/80/76/97/167807697.db2.gz UGDNBBMRBMKVAK-MRVPVSSYSA-N 1 2 243.257 1.771 20 0 BDADLO COCc1cc(C[N@H+](C[C@@H](C)O)C2CC2)no1 ZINC000656279262 411228617 /nfs/dbraw/zinc/22/86/17/411228617.db2.gz NCWPDVWVKFWMMO-SECBINFHSA-N 1 2 240.303 1.166 20 0 BDADLO COCc1cc(C[N@@H+](C[C@@H](C)O)C2CC2)no1 ZINC000656279262 411228619 /nfs/dbraw/zinc/22/86/19/411228619.db2.gz NCWPDVWVKFWMMO-SECBINFHSA-N 1 2 240.303 1.166 20 0 BDADLO CC(C)(NC(=O)c1cnco1)c1[nH]cc[nH+]1 ZINC000652411991 411233878 /nfs/dbraw/zinc/23/38/78/411233878.db2.gz GCGUJJUGMPIDAD-UHFFFAOYSA-N 1 2 220.232 1.063 20 0 BDADLO O=C(Cn1cc[nH+]c1)NCc1cnc(C2CC2)o1 ZINC000652422219 411239241 /nfs/dbraw/zinc/23/92/41/411239241.db2.gz SVGAAJVAJZGTGP-UHFFFAOYSA-N 1 2 246.270 1.065 20 0 BDADLO c1cn2c(n1)[C@@H]([NH2+]Cc1cc[nH]n1)CCC2 ZINC000655711602 411265688 /nfs/dbraw/zinc/26/56/88/411265688.db2.gz JDZUROMNFIRTKQ-JTQLQIEISA-N 1 2 217.276 1.231 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(N)nc1 ZINC000050814159 411266819 /nfs/dbraw/zinc/26/68/19/411266819.db2.gz AAWSPCWABNPJED-NSHDSACASA-N 1 2 221.304 1.275 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccc(N)nc1 ZINC000050814159 411266824 /nfs/dbraw/zinc/26/68/24/411266824.db2.gz AAWSPCWABNPJED-NSHDSACASA-N 1 2 221.304 1.275 20 0 BDADLO COCC[N@H+](C)Cc1cn(CCCCF)nn1 ZINC000656457882 411266974 /nfs/dbraw/zinc/26/69/74/411266974.db2.gz SFLUSZZRMBHHKH-UHFFFAOYSA-N 1 2 244.314 1.106 20 0 BDADLO COCC[N@@H+](C)Cc1cn(CCCCF)nn1 ZINC000656457882 411266977 /nfs/dbraw/zinc/26/69/77/411266977.db2.gz SFLUSZZRMBHHKH-UHFFFAOYSA-N 1 2 244.314 1.106 20 0 BDADLO CCc1ccncc1NC(=O)CCn1cc[nH+]c1 ZINC000652895823 411269103 /nfs/dbraw/zinc/26/91/03/411269103.db2.gz SHGIUXQOVXCIPS-UHFFFAOYSA-N 1 2 244.298 1.869 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CCC23CCC3)[nH]1 ZINC000658155966 411270112 /nfs/dbraw/zinc/27/01/12/411270112.db2.gz FSADSKDUUFYVDQ-VIFPVBQESA-N 1 2 236.319 1.373 20 0 BDADLO C[C@H]1CC[N@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660159696 411270232 /nfs/dbraw/zinc/27/02/32/411270232.db2.gz WXEQCIIMXXXXRY-VHSXEESVSA-N 1 2 208.309 1.325 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2cnn[nH]2)C[C@H]1C ZINC000660159696 411270237 /nfs/dbraw/zinc/27/02/37/411270237.db2.gz WXEQCIIMXXXXRY-VHSXEESVSA-N 1 2 208.309 1.325 20 0 BDADLO COCc1nnc(C[NH2+][C@@H]2CCCC23CC3)[nH]1 ZINC000658157189 411271240 /nfs/dbraw/zinc/27/12/40/411271240.db2.gz ORIJQLPPWQLUPD-SECBINFHSA-N 1 2 236.319 1.373 20 0 BDADLO COCc1nnc(C[NH2+][C@H](C)C(C)(C)C)[nH]1 ZINC000658159307 411272132 /nfs/dbraw/zinc/27/21/32/411272132.db2.gz PYSUPQHPFNOHMS-MRVPVSSYSA-N 1 2 226.324 1.475 20 0 BDADLO COCc1nnc(C[NH2+][C@@H](C)C2CCC2)[nH]1 ZINC000658159750 411273120 /nfs/dbraw/zinc/27/31/20/411273120.db2.gz ARNUCDJGOPDIMS-QMMMGPOBSA-N 1 2 224.308 1.229 20 0 BDADLO Cn1c[nH+]cc1CCC(=O)N1CCC12CCCC2 ZINC000652569473 411275759 /nfs/dbraw/zinc/27/57/59/411275759.db2.gz SDSDGDLKXZEFKA-UHFFFAOYSA-N 1 2 247.342 1.898 20 0 BDADLO CCc1cc(NCc2occc2C)nc[nH+]1 ZINC000381069915 411284662 /nfs/dbraw/zinc/28/46/62/411284662.db2.gz NWPQUHXGORBJLX-UHFFFAOYSA-N 1 2 217.272 1.974 20 0 BDADLO C[C@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000656534162 411290652 /nfs/dbraw/zinc/29/06/52/411290652.db2.gz FDHHHPACXUTRMH-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000656534162 411290653 /nfs/dbraw/zinc/29/06/53/411290653.db2.gz FDHHHPACXUTRMH-CSMHCCOUSA-N 1 2 227.226 1.019 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000656539274 411293102 /nfs/dbraw/zinc/29/31/02/411293102.db2.gz NZTUCDKZNAPHPG-MDZLAQPJSA-N 1 2 248.330 1.513 20 0 BDADLO CC(C)(F)CCNC(=O)NCCn1cc[nH+]c1 ZINC000656548129 411294985 /nfs/dbraw/zinc/29/49/85/411294985.db2.gz GJFZOOHTGLRZOF-UHFFFAOYSA-N 1 2 242.298 1.321 20 0 BDADLO C[C@H](O)C[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661736566 411297813 /nfs/dbraw/zinc/29/78/13/411297813.db2.gz OKMRGOPRZWCBEW-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H](O)C[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661736566 411297815 /nfs/dbraw/zinc/29/78/15/411297815.db2.gz OKMRGOPRZWCBEW-GWCFXTLKSA-N 1 2 239.290 1.580 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnc3ccccc3n2)CCO1 ZINC000659811034 411298362 /nfs/dbraw/zinc/29/83/62/411298362.db2.gz HWMQAPVFPZMXNQ-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnc3ccccc3n2)CCO1 ZINC000659811034 411298364 /nfs/dbraw/zinc/29/83/64/411298364.db2.gz HWMQAPVFPZMXNQ-NSHDSACASA-N 1 2 243.310 1.851 20 0 BDADLO CC(C)OC[C@H]([NH3+])c1nc(C(C)(C)C)no1 ZINC000656559780 411304549 /nfs/dbraw/zinc/30/45/49/411304549.db2.gz YEQMFWXPRFAFMH-QMMMGPOBSA-N 1 2 227.308 1.792 20 0 BDADLO COCC[NH+]1CCN(CCCC2CCC2)CC1 ZINC000659835107 411315255 /nfs/dbraw/zinc/31/52/55/411315255.db2.gz AKGZDQSOWDKWBU-UHFFFAOYSA-N 1 2 240.391 1.831 20 0 BDADLO Cc1[nH]c(CN2CC(C(F)F)C2)[nH+]c1C ZINC000628307247 411332603 /nfs/dbraw/zinc/33/26/03/411332603.db2.gz WYDABNIAMOKMKA-UHFFFAOYSA-N 1 2 215.247 1.723 20 0 BDADLO C[C@@H](NC(=O)N[C@@H](C)C1CC1)c1[nH+]ccn1C ZINC000660252140 411321049 /nfs/dbraw/zinc/32/10/49/411321049.db2.gz KGEQGANAMUHZAB-DTWKUNHWSA-N 1 2 236.319 1.579 20 0 BDADLO CC(C)N(C)C(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660142905 411257597 /nfs/dbraw/zinc/25/75/97/411257597.db2.gz HEOAKUURGSRJQR-JTQLQIEISA-N 1 2 238.335 1.097 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2ccc(CO)o2)[C@H](C)CO1 ZINC000403745933 411358641 /nfs/dbraw/zinc/35/86/41/411358641.db2.gz UWOXSXILWARXJP-GHMZBOCLSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)[C@H](C)CO1 ZINC000403745933 411358644 /nfs/dbraw/zinc/35/86/44/411358644.db2.gz UWOXSXILWARXJP-GHMZBOCLSA-N 1 2 239.315 1.771 20 0 BDADLO NC(=O)CC[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000656705972 411334818 /nfs/dbraw/zinc/33/48/18/411334818.db2.gz WOCLSZOBYZBFTR-UHFFFAOYSA-N 1 2 246.232 1.383 20 0 BDADLO c1[nH+]cn2c1CN(CCOCC1CCCC1)CC2 ZINC000660583906 411338184 /nfs/dbraw/zinc/33/81/84/411338184.db2.gz OFOYMDBCILDZAB-UHFFFAOYSA-N 1 2 249.358 1.906 20 0 BDADLO O=C1CCC(C[N@@H+]2CCn3cncc3C2)CC1 ZINC000660584247 411338834 /nfs/dbraw/zinc/33/88/34/411338834.db2.gz RINOYXIDKCLTQD-UHFFFAOYSA-N 1 2 233.315 1.458 20 0 BDADLO O=C1CCC(C[N@H+]2CCn3cncc3C2)CC1 ZINC000660584247 411338836 /nfs/dbraw/zinc/33/88/36/411338836.db2.gz RINOYXIDKCLTQD-UHFFFAOYSA-N 1 2 233.315 1.458 20 0 BDADLO O=C1CCC(CN2CCn3c[nH+]cc3C2)CC1 ZINC000660584247 411338840 /nfs/dbraw/zinc/33/88/40/411338840.db2.gz RINOYXIDKCLTQD-UHFFFAOYSA-N 1 2 233.315 1.458 20 0 BDADLO C[C@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000656704726 411339428 /nfs/dbraw/zinc/33/94/28/411339428.db2.gz KGGXNJBPYZHPSU-QMMMGPOBSA-N 1 2 233.233 1.888 20 0 BDADLO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000658333584 411341954 /nfs/dbraw/zinc/34/19/54/411341954.db2.gz ZSZPYAAHBYJZQA-ONOSFVFSSA-N 1 2 209.293 1.546 20 0 BDADLO CC1(CNc2cc[nH+]c(C3CC3)n2)OCCO1 ZINC000179469730 168048092 /nfs/dbraw/zinc/04/80/92/168048092.db2.gz IEZOLJJELAKHNN-UHFFFAOYSA-N 1 2 235.287 1.529 20 0 BDADLO CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000280140477 168019555 /nfs/dbraw/zinc/01/95/55/168019555.db2.gz TVJMHPPJHWJFJU-UHFFFAOYSA-N 1 2 207.277 1.190 20 0 BDADLO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000658339470 411346791 /nfs/dbraw/zinc/34/67/91/411346791.db2.gz SIEXHRXLECGONV-GHMZBOCLSA-N 1 2 245.330 1.930 20 0 BDADLO CC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000281127514 168029281 /nfs/dbraw/zinc/02/92/81/168029281.db2.gz YBIKJGZDUWHHGF-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000119319918 168036231 /nfs/dbraw/zinc/03/62/31/168036231.db2.gz VGXSGKCJVRARFK-NSHDSACASA-N 1 2 247.342 1.752 20 0 BDADLO CC1(CNc2cc[nH+]c(C3CC3)n2)OCCCO1 ZINC000276768267 168048560 /nfs/dbraw/zinc/04/85/60/168048560.db2.gz AXXMKXCDNSVTPB-UHFFFAOYSA-N 1 2 249.314 1.919 20 0 BDADLO CC1(NC(=O)NCCn2cc[nH+]c2)CCC1 ZINC000162655448 168056435 /nfs/dbraw/zinc/05/64/35/168056435.db2.gz BMHCSAQUSWCCCE-UHFFFAOYSA-N 1 2 222.292 1.125 20 0 BDADLO C[C@@H]1CCC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653488458 411378213 /nfs/dbraw/zinc/37/82/13/411378213.db2.gz WRMXMWUZRFEMMI-SNVBAGLBSA-N 1 2 237.351 1.660 20 0 BDADLO C[C@@H]1CCC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000653488458 411378217 /nfs/dbraw/zinc/37/82/17/411378217.db2.gz WRMXMWUZRFEMMI-SNVBAGLBSA-N 1 2 237.351 1.660 20 0 BDADLO CC1=CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282908808 168094222 /nfs/dbraw/zinc/09/42/22/168094222.db2.gz XMKCCARUUUZROQ-SNAWJCMRSA-N 1 2 217.272 1.602 20 0 BDADLO CC1=CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000333640920 168105486 /nfs/dbraw/zinc/10/54/86/168105486.db2.gz SHXRDQHXINJFLT-UHFFFAOYSA-N 1 2 248.330 1.324 20 0 BDADLO Cc1cc(NC(=O)C[N@H+]2CC=C(C)CC2)on1 ZINC000270117940 168110992 /nfs/dbraw/zinc/11/09/92/168110992.db2.gz FFZJIUIKANITTD-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO Cc1cc(NC(=O)C[N@@H+]2CC=C(C)CC2)on1 ZINC000270117940 168110994 /nfs/dbraw/zinc/11/09/94/168110994.db2.gz FFZJIUIKANITTD-UHFFFAOYSA-N 1 2 235.287 1.574 20 0 BDADLO CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000376692994 168176420 /nfs/dbraw/zinc/17/64/20/168176420.db2.gz CUNCMYRYAVJJII-LBPRGKRZSA-N 1 2 247.342 1.704 20 0 BDADLO CC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC000373863931 168185120 /nfs/dbraw/zinc/18/51/20/168185120.db2.gz UJZYGHFSABZFKZ-UHFFFAOYSA-N 1 2 236.319 1.040 20 0 BDADLO CC1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000335724032 168189238 /nfs/dbraw/zinc/18/92/38/168189238.db2.gz LHSKKLLPMQURHW-UHFFFAOYSA-N 1 2 230.271 1.818 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301676353 168222765 /nfs/dbraw/zinc/22/27/65/168222765.db2.gz QPCITGYYXYSLFI-SNVBAGLBSA-N 1 2 234.303 1.208 20 0 BDADLO CCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122988332 168224097 /nfs/dbraw/zinc/22/40/97/168224097.db2.gz HYXQAJUCQAHUEL-QWRGUYRKSA-N 1 2 221.304 1.703 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NC1CC2(CCC2)C1 ZINC000652969801 411382688 /nfs/dbraw/zinc/38/26/88/411382688.db2.gz PFNQMAXLBFUISH-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355092674 168264786 /nfs/dbraw/zinc/26/47/86/168264786.db2.gz WKIZDEBYEPKLQY-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355092674 168264789 /nfs/dbraw/zinc/26/47/89/168264789.db2.gz WKIZDEBYEPKLQY-LLVKDONJSA-N 1 2 242.363 1.260 20 0 BDADLO CCC(C)(C)CC[N@H+](C)Cc1nnnn1C ZINC000341544468 168276006 /nfs/dbraw/zinc/27/60/06/168276006.db2.gz JSOCGPUZYCAIBH-UHFFFAOYSA-N 1 2 225.340 1.468 20 0 BDADLO CCC(C)(C)CC[N@@H+](C)Cc1nnnn1C ZINC000341544468 168276009 /nfs/dbraw/zinc/27/60/09/168276009.db2.gz JSOCGPUZYCAIBH-UHFFFAOYSA-N 1 2 225.340 1.468 20 0 BDADLO CCC(C)(C)N(C)C(=O)CCn1cc[nH+]c1 ZINC000265519560 168283042 /nfs/dbraw/zinc/28/30/42/168283042.db2.gz MAVIBWKCOGXFKX-UHFFFAOYSA-N 1 2 223.320 1.920 20 0 BDADLO CCc1noc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000657303441 411456303 /nfs/dbraw/zinc/45/63/03/411456303.db2.gz SQKSXLOFQIEAIR-ZJUUUORDSA-N 1 2 237.303 1.243 20 0 BDADLO CCc1noc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000657303441 411456304 /nfs/dbraw/zinc/45/63/04/411456304.db2.gz SQKSXLOFQIEAIR-ZJUUUORDSA-N 1 2 237.303 1.243 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2cn(C)cn2)c1 ZINC000660395752 411458785 /nfs/dbraw/zinc/45/87/85/411458785.db2.gz GIAFTGUJXBATES-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2cn(C)cn2)c1 ZINC000660395752 411458787 /nfs/dbraw/zinc/45/87/87/411458787.db2.gz GIAFTGUJXBATES-UHFFFAOYSA-N 1 2 232.331 1.874 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654881231 411459146 /nfs/dbraw/zinc/45/91/46/411459146.db2.gz GOLMTUPFYBZMCZ-WDEREUQCSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654881231 411459148 /nfs/dbraw/zinc/45/91/48/411459148.db2.gz GOLMTUPFYBZMCZ-WDEREUQCSA-N 1 2 235.331 1.847 20 0 BDADLO Cc1noc(C)c1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000579987558 411394922 /nfs/dbraw/zinc/39/49/22/411394922.db2.gz YJXGLQFWGWEKHO-VIFPVBQESA-N 1 2 237.303 1.570 20 0 BDADLO CC[C@@H](C)[C@](C)(O)CNc1cc[nH+]c(C)n1 ZINC000078253035 411399254 /nfs/dbraw/zinc/39/92/54/411399254.db2.gz PNBQDKFGPHZOJR-BXKDBHETSA-N 1 2 223.320 1.994 20 0 BDADLO Fc1c[nH+]ccc1NCc1cc2n(n1)CCCC2 ZINC000653498823 411413222 /nfs/dbraw/zinc/41/32/22/411413222.db2.gz NZDXMSZSHSUDRX-UHFFFAOYSA-N 1 2 246.289 1.788 20 0 BDADLO CC(C)(O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000405092814 411417014 /nfs/dbraw/zinc/41/70/14/411417014.db2.gz XDPGYODGSLEGMP-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CC(C)(O)CC[N@H+]1CCCC(F)(F)C1 ZINC000405092814 411417015 /nfs/dbraw/zinc/41/70/15/411417015.db2.gz XDPGYODGSLEGMP-UHFFFAOYSA-N 1 2 207.264 1.879 20 0 BDADLO CCC[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653523786 411417883 /nfs/dbraw/zinc/41/78/83/411417883.db2.gz ABNIYOBGQYKQLS-UHFFFAOYSA-N 1 2 211.313 1.270 20 0 BDADLO CCC[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653523786 411417884 /nfs/dbraw/zinc/41/78/84/411417884.db2.gz ABNIYOBGQYKQLS-UHFFFAOYSA-N 1 2 211.313 1.270 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)nc(C)n1 ZINC000659820552 411462704 /nfs/dbraw/zinc/46/27/04/411462704.db2.gz HWAZWDBCEQIOEX-QWRGUYRKSA-N 1 2 235.331 1.703 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)nc(C)n1 ZINC000659820552 411462707 /nfs/dbraw/zinc/46/27/07/411462707.db2.gz HWAZWDBCEQIOEX-QWRGUYRKSA-N 1 2 235.331 1.703 20 0 BDADLO OCc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000126423908 411436909 /nfs/dbraw/zinc/43/69/09/411436909.db2.gz LXSQMDOMTWSLLG-TXEJJXNPSA-N 1 2 218.300 1.810 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCO)ccn12 ZINC000654910771 411463506 /nfs/dbraw/zinc/46/35/06/411463506.db2.gz AMBNJLUXRTXTKQ-VIFPVBQESA-N 1 2 247.298 1.143 20 0 BDADLO Cc1nn(Cc2[nH+]c3ccccc3n2C)c(=O)o1 ZINC000657279188 411440363 /nfs/dbraw/zinc/44/03/63/411440363.db2.gz PRHWUMPNXHYUBF-UHFFFAOYSA-N 1 2 244.254 1.080 20 0 BDADLO Cn1ncc2c1nc(NC1CCCCC1)[nH+]c2N ZINC000278512692 411445802 /nfs/dbraw/zinc/44/58/02/411445802.db2.gz YENIHMSSWMHSAZ-UHFFFAOYSA-N 1 2 246.318 1.690 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000657287467 411446824 /nfs/dbraw/zinc/44/68/24/411446824.db2.gz NDBPWGQSRZXSGG-SNVBAGLBSA-N 1 2 216.288 1.964 20 0 BDADLO CC(C)(C)C(=O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279578805 411449411 /nfs/dbraw/zinc/44/94/11/411449411.db2.gz ZNJXAIPHPKSIDR-UHFFFAOYSA-N 1 2 237.303 1.074 20 0 BDADLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1C ZINC000041905087 411452479 /nfs/dbraw/zinc/45/24/79/411452479.db2.gz XWTWXYPMOCJBNO-UHFFFAOYSA-N 1 2 243.310 1.930 20 0 BDADLO CCc1nnc([C@@H](C)[NH+]2CCSCC2)[nH]1 ZINC000659843487 411473266 /nfs/dbraw/zinc/47/32/66/411473266.db2.gz WDHRXJOOGGEAMS-MRVPVSSYSA-N 1 2 226.349 1.477 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@@H](CO)c2cccc(F)c2)n1 ZINC000657368844 411480323 /nfs/dbraw/zinc/48/03/23/411480323.db2.gz XBSJPDACMVNACK-LBPRGKRZSA-N 1 2 249.289 1.680 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@](C)(CO)c2ccccc2)n1 ZINC000657364856 411481572 /nfs/dbraw/zinc/48/15/72/411481572.db2.gz AYPNUTMLBOPBNQ-CQSZACIVSA-N 1 2 245.326 1.715 20 0 BDADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000657369593 411483752 /nfs/dbraw/zinc/48/37/52/411483752.db2.gz LCHUPUZXEOUPGI-SVRRBLITSA-N 1 2 247.751 1.849 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnn3c2CCC3)s1 ZINC000657376335 411486462 /nfs/dbraw/zinc/48/64/62/411486462.db2.gz LBDGWTZHAVXRFN-UHFFFAOYSA-N 1 2 248.355 1.884 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCOCc1ccccc1 ZINC000659875186 411487545 /nfs/dbraw/zinc/48/75/45/411487545.db2.gz WDGPDLIOADROKV-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCOCc1ccccc1 ZINC000659875186 411487546 /nfs/dbraw/zinc/48/75/46/411487546.db2.gz WDGPDLIOADROKV-GFCCVEGCSA-N 1 2 248.326 1.024 20 0 BDADLO Cn1cnc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1 ZINC000659875592 411487710 /nfs/dbraw/zinc/48/77/10/411487710.db2.gz OEQHTZSIZCCBEB-AWEZNQCLSA-N 1 2 245.326 1.586 20 0 BDADLO Cn1cnc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1 ZINC000659875592 411487712 /nfs/dbraw/zinc/48/77/12/411487712.db2.gz OEQHTZSIZCCBEB-AWEZNQCLSA-N 1 2 245.326 1.586 20 0 BDADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCC2(F)F)C1 ZINC000655079668 411491509 /nfs/dbraw/zinc/49/15/09/411491509.db2.gz CYQJNTQMNCWGTD-SECBINFHSA-N 1 2 246.301 1.632 20 0 BDADLO CCN(C(=O)Cn1cc[nH+]c1)[C@@H](C)C(C)C ZINC000655090608 411493119 /nfs/dbraw/zinc/49/31/19/411493119.db2.gz PYDXSLSRCAWKDR-NSHDSACASA-N 1 2 223.320 1.776 20 0 BDADLO C[C@H]1CCCCN1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000655553275 411493280 /nfs/dbraw/zinc/49/32/80/411493280.db2.gz GWNDZPZNRUSMCY-NSHDSACASA-N 1 2 248.330 1.734 20 0 BDADLO COCCn1cc(NCc2[nH]cc(C)[nH+]2)cn1 ZINC000657396200 411494142 /nfs/dbraw/zinc/49/41/42/411494142.db2.gz PZSUPGLAGUUPBL-UHFFFAOYSA-N 1 2 235.291 1.173 20 0 BDADLO Cc1nc(C[NH2+][C@@](C)(CO)c2ccccc2)co1 ZINC000659910774 411494984 /nfs/dbraw/zinc/49/49/84/411494984.db2.gz NILRTNMMQHIKGJ-AWEZNQCLSA-N 1 2 246.310 1.980 20 0 BDADLO Cc1c[nH]c(C[NH2+][C@H]2CCCc3cn[nH]c32)n1 ZINC000657398655 411495467 /nfs/dbraw/zinc/49/54/67/411495467.db2.gz DFPMGGAPBBZLKW-JTQLQIEISA-N 1 2 231.303 1.608 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@H](C)O1 ZINC000659918621 411498410 /nfs/dbraw/zinc/49/84/10/411498410.db2.gz LVTNXDRAZXPVGL-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cn(C)cn2)C[C@H](C)O1 ZINC000659918621 411498411 /nfs/dbraw/zinc/49/84/11/411498411.db2.gz LVTNXDRAZXPVGL-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000659918621 411498415 /nfs/dbraw/zinc/49/84/15/411498415.db2.gz LVTNXDRAZXPVGL-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(F)F ZINC000655119655 411498641 /nfs/dbraw/zinc/49/86/41/411498641.db2.gz PJJTZJNBKHDZGW-MRVPVSSYSA-N 1 2 234.290 1.488 20 0 BDADLO Cn1cnc(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000660078243 411534063 /nfs/dbraw/zinc/53/40/63/411534063.db2.gz SGQKRQGUNZGBJA-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1cnc(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000660078243 411534064 /nfs/dbraw/zinc/53/40/64/411534064.db2.gz SGQKRQGUNZGBJA-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO Cn1c[nH+]c(CN2CCc3ccc(O)cc3C2)c1 ZINC000660078243 411534065 /nfs/dbraw/zinc/53/40/65/411534065.db2.gz SGQKRQGUNZGBJA-UHFFFAOYSA-N 1 2 243.310 1.684 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1CC(F)(F)C1 ZINC000655128029 411500456 /nfs/dbraw/zinc/50/04/56/411500456.db2.gz DIKIKKUNMPGIOP-UHFFFAOYSA-N 1 2 243.257 1.565 20 0 BDADLO CCc1ccncc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655164590 411508862 /nfs/dbraw/zinc/50/88/62/411508862.db2.gz KHEZFQNYIRVNCG-UHFFFAOYSA-N 1 2 247.342 1.924 20 0 BDADLO Cc1cnc([C@@H](C)[NH2+]Cc2cnn3c2CCC3)o1 ZINC000657458450 411517670 /nfs/dbraw/zinc/51/76/70/411517670.db2.gz LLCDMNRNQOUWJX-SNVBAGLBSA-N 1 2 246.314 1.977 20 0 BDADLO CC[C@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)CO1 ZINC000657462267 411518490 /nfs/dbraw/zinc/51/84/90/411518490.db2.gz RTMWCCXAHIUOBC-SFYZADRCSA-N 1 2 205.248 1.941 20 0 BDADLO CC[C@@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)CO1 ZINC000657457106 411520863 /nfs/dbraw/zinc/52/08/63/411520863.db2.gz FHAJCOLRPFPNGJ-NXEZZACHSA-N 1 2 237.303 1.604 20 0 BDADLO CC1(C[NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)CC1 ZINC000655819732 411525500 /nfs/dbraw/zinc/52/55/00/411525500.db2.gz SFUMVYYRYZZJKZ-VIFPVBQESA-N 1 2 236.319 1.546 20 0 BDADLO Cc1nc(C[N@H+](CC(N)=O)C(C)(C)C)c(C)o1 ZINC000660017996 411528476 /nfs/dbraw/zinc/52/84/76/411528476.db2.gz IVPFOKBRKQHHJM-UHFFFAOYSA-N 1 2 239.319 1.377 20 0 BDADLO Cc1nc(C[N@@H+](CC(N)=O)C(C)(C)C)c(C)o1 ZINC000660017996 411528477 /nfs/dbraw/zinc/52/84/77/411528477.db2.gz IVPFOKBRKQHHJM-UHFFFAOYSA-N 1 2 239.319 1.377 20 0 BDADLO CC(C)=CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655832218 411529168 /nfs/dbraw/zinc/52/91/68/411529168.db2.gz RWVGFCOOHSKWLM-UHFFFAOYSA-N 1 2 223.324 1.484 20 0 BDADLO c1cc(C[NH2+]Cc2cn(C3CCC3)nn2)co1 ZINC000657324599 411464993 /nfs/dbraw/zinc/46/49/93/411464993.db2.gz FDKIQOILLVYYPO-UHFFFAOYSA-N 1 2 232.287 1.886 20 0 BDADLO CCN1CN(c2cc(C)[nH+]c(C(C)C)n2)CC1=O ZINC000302713589 170026944 /nfs/dbraw/zinc/02/69/44/170026944.db2.gz IPRLBQWAQWRKKA-UHFFFAOYSA-N 1 2 248.330 1.534 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1ccccc1OC ZINC000042976966 170055740 /nfs/dbraw/zinc/05/57/40/170055740.db2.gz DPHLUHYRUQVWQP-UHFFFAOYSA-N 1 2 236.315 1.263 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000042976966 170055741 /nfs/dbraw/zinc/05/57/41/170055741.db2.gz DPHLUHYRUQVWQP-UHFFFAOYSA-N 1 2 236.315 1.263 20 0 BDADLO CCNC(=O)CN(CC)c1[nH]c2ccccc2[nH+]1 ZINC000270556171 170058972 /nfs/dbraw/zinc/05/89/72/170058972.db2.gz HSYKGTJFFWJMLB-UHFFFAOYSA-N 1 2 246.314 1.525 20 0 BDADLO CCNC(=O)C[NH2+]Cc1c(F)cccc1F ZINC000035134240 170064151 /nfs/dbraw/zinc/06/41/51/170064151.db2.gz SAOGMXFLPYOMQM-UHFFFAOYSA-N 1 2 228.242 1.191 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000660135937 411543036 /nfs/dbraw/zinc/54/30/36/411543036.db2.gz FYRIIPHXOWVKFG-QMMMGPOBSA-N 1 2 246.318 1.210 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCc3n[nH]cc3C2)[nH]1 ZINC000660135937 411543038 /nfs/dbraw/zinc/54/30/38/411543038.db2.gz FYRIIPHXOWVKFG-QMMMGPOBSA-N 1 2 246.318 1.210 20 0 BDADLO CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000041287566 170070652 /nfs/dbraw/zinc/07/06/52/170070652.db2.gz QIZDPZOLFGMSQO-UHFFFAOYSA-N 1 2 217.272 1.321 20 0 BDADLO CCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295179393 170072405 /nfs/dbraw/zinc/07/24/05/170072405.db2.gz BNQXQFMDHZOKJB-VIFPVBQESA-N 1 2 236.319 1.533 20 0 BDADLO CCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106509516 170073284 /nfs/dbraw/zinc/07/32/84/170073284.db2.gz IHVWIHKLYBVGKN-SECBINFHSA-N 1 2 222.292 1.666 20 0 BDADLO CCNC(=O)N1CC[NH+](C/C=C/Cl)CC1 ZINC000096998300 170073514 /nfs/dbraw/zinc/07/35/14/170073514.db2.gz CYAFKEVYUOAFRH-ONEGZZNKSA-N 1 2 231.727 1.086 20 0 BDADLO CCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376425916 170073639 /nfs/dbraw/zinc/07/36/39/170073639.db2.gz JOYDCJBEHDLYSE-JTQLQIEISA-N 1 2 236.319 1.329 20 0 BDADLO CCc1nnc([C@H](C)[N@@H+]2CCCSCC2)[nH]1 ZINC000660139736 411544211 /nfs/dbraw/zinc/54/42/11/411544211.db2.gz FLXDQDBTEUUAHD-VIFPVBQESA-N 1 2 240.376 1.867 20 0 BDADLO CCc1nnc([C@H](C)[N@H+]2CCCSCC2)[nH]1 ZINC000660139736 411544212 /nfs/dbraw/zinc/54/42/12/411544212.db2.gz FLXDQDBTEUUAHD-VIFPVBQESA-N 1 2 240.376 1.867 20 0 BDADLO CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000048922849 170081094 /nfs/dbraw/zinc/08/10/94/170081094.db2.gz NDBTXGVPLFIIPH-UHFFFAOYSA-N 1 2 244.298 1.691 20 0 BDADLO CCNC(=O)[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000035136330 170095327 /nfs/dbraw/zinc/09/53/27/170095327.db2.gz YFGMIPFWTHPOKX-ZETCQYMHSA-N 1 2 227.333 1.066 20 0 BDADLO CCN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660101404 411537089 /nfs/dbraw/zinc/53/70/89/411537089.db2.gz PWTHDEBWSPEJSB-MRVPVSSYSA-N 1 2 210.281 1.142 20 0 BDADLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)c2ncnn21 ZINC000657567529 411552975 /nfs/dbraw/zinc/55/29/75/411552975.db2.gz SNCURAGJUYERCQ-JOYOIKCWSA-N 1 2 244.298 1.779 20 0 BDADLO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)nc1 ZINC000657568952 411553543 /nfs/dbraw/zinc/55/35/43/411553543.db2.gz LSZQHMUUVQSZGF-PWSUYJOCSA-N 1 2 243.314 1.777 20 0 BDADLO CO[C@@H](C[N@@H+]1CCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660216639 411554791 /nfs/dbraw/zinc/55/47/91/411554791.db2.gz YFDCUKFJRIYLTR-ZJUUUORDSA-N 1 2 235.274 1.379 20 0 BDADLO CO[C@@H](C[N@H+]1CCC(F)(F)C1)[C@@H]1CCOC1 ZINC000660216639 411554792 /nfs/dbraw/zinc/55/47/92/411554792.db2.gz YFDCUKFJRIYLTR-ZJUUUORDSA-N 1 2 235.274 1.379 20 0 BDADLO C[C@H]1CC[N@H+](CCc2c[nH]nn2)C[C@H]1F ZINC000660221117 411554915 /nfs/dbraw/zinc/55/49/15/411554915.db2.gz LZPLZMRCSZNANB-WCBMZHEXSA-N 1 2 212.272 1.027 20 0 BDADLO C[C@H]1CC[N@@H+](CCc2c[nH]nn2)C[C@H]1F ZINC000660221117 411554916 /nfs/dbraw/zinc/55/49/16/411554916.db2.gz LZPLZMRCSZNANB-WCBMZHEXSA-N 1 2 212.272 1.027 20 0 BDADLO CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000083746832 170148715 /nfs/dbraw/zinc/14/87/15/170148715.db2.gz ZWJXJMGZXHFVQU-JTQLQIEISA-N 1 2 202.261 1.504 20 0 BDADLO CCNc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000264607836 170177235 /nfs/dbraw/zinc/17/72/35/170177235.db2.gz DNMUGCCZGLMPCL-UHFFFAOYSA-N 1 2 248.286 1.661 20 0 BDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cccnc1 ZINC000121459906 170186138 /nfs/dbraw/zinc/18/61/38/170186138.db2.gz FZOGXZULXQGPCO-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cccnc1 ZINC000121459906 170186140 /nfs/dbraw/zinc/18/61/40/170186140.db2.gz FZOGXZULXQGPCO-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO FC1=CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660167357 411550212 /nfs/dbraw/zinc/55/02/12/411550212.db2.gz QIQHFMFUZOONAN-SECBINFHSA-N 1 2 221.222 1.970 20 0 BDADLO FC1=CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660167357 411550213 /nfs/dbraw/zinc/55/02/13/411550213.db2.gz QIQHFMFUZOONAN-SECBINFHSA-N 1 2 221.222 1.970 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1cccc(C)c1 ZINC000042338390 170214471 /nfs/dbraw/zinc/21/44/71/170214471.db2.gz GDQQGQIEYMLYNY-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1cccc(C)c1 ZINC000042338390 170214472 /nfs/dbraw/zinc/21/44/72/170214472.db2.gz GDQQGQIEYMLYNY-UHFFFAOYSA-N 1 2 221.300 1.990 20 0 BDADLO CCOC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118533934 170220625 /nfs/dbraw/zinc/22/06/25/170220625.db2.gz CLSBYXOWYXRSBQ-IUCAKERBSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118533934 170220626 /nfs/dbraw/zinc/22/06/26/170220626.db2.gz CLSBYXOWYXRSBQ-IUCAKERBSA-N 1 2 217.334 1.375 20 0 BDADLO CCOC(=O)CN1CCC[C@H]1c1[nH+]ccn1C ZINC000373179274 170220688 /nfs/dbraw/zinc/22/06/88/170220688.db2.gz YKRRBOQHNLYBBM-JTQLQIEISA-N 1 2 237.303 1.120 20 0 BDADLO CCOC(=O)C[NH2+]CC1(c2ncccc2C)CC1 ZINC000368293945 170225497 /nfs/dbraw/zinc/22/54/97/170225497.db2.gz ZNPBUHHGADGNKJ-UHFFFAOYSA-N 1 2 248.326 1.574 20 0 BDADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)Cn1cccn1 ZINC000084102181 170250903 /nfs/dbraw/zinc/25/09/03/170250903.db2.gz ZHQBTEYJKMRCCV-GHMZBOCLSA-N 1 2 239.319 1.203 20 0 BDADLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C ZINC000076168661 170252941 /nfs/dbraw/zinc/25/29/41/170252941.db2.gz STYUZGGLUMRXBX-LLVKDONJSA-N 1 2 225.263 1.519 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000037632090 170257275 /nfs/dbraw/zinc/25/72/75/170257275.db2.gz CIPAKIKEVIKGBI-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000037632090 170257276 /nfs/dbraw/zinc/25/72/76/170257276.db2.gz CIPAKIKEVIKGBI-ZDUSSCGKSA-N 1 2 248.326 1.999 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2ccsc2)n1 ZINC000657606063 411561523 /nfs/dbraw/zinc/56/15/23/411561523.db2.gz WTBQPDWJRCIPIN-UHFFFAOYSA-N 1 2 238.316 1.302 20 0 BDADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000295860574 170270405 /nfs/dbraw/zinc/27/04/05/170270405.db2.gz YEOOXDJICRLXJA-BDAKNGLRSA-N 1 2 225.292 1.087 20 0 BDADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)[C@H](C)CC ZINC000041118526 170277105 /nfs/dbraw/zinc/27/71/05/170277105.db2.gz CUVHLKIBMVYPSQ-GRYCIOLGSA-N 1 2 243.347 1.733 20 0 BDADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](O)C1 ZINC000172259555 170279311 /nfs/dbraw/zinc/27/93/11/170279311.db2.gz GIRSHDOAOQSHGR-STQMWFEESA-N 1 2 249.310 1.357 20 0 BDADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](O)C1 ZINC000172259555 170279313 /nfs/dbraw/zinc/27/93/13/170279313.db2.gz GIRSHDOAOQSHGR-STQMWFEESA-N 1 2 249.310 1.357 20 0 BDADLO CCC(CC)C[NH2+]Cc1nnc(COC)[nH]1 ZINC000657605293 411563610 /nfs/dbraw/zinc/56/36/10/411563610.db2.gz MTPZZQLLDGMSRF-UHFFFAOYSA-N 1 2 226.324 1.477 20 0 BDADLO CCOC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000353640425 170282138 /nfs/dbraw/zinc/28/21/38/170282138.db2.gz CLKIAJUYFKWZBW-QWRGUYRKSA-N 1 2 234.299 1.717 20 0 BDADLO O=C1N=NC2C[N@H+](CCCC3CCC3)CCN12 ZINC000660277997 411563748 /nfs/dbraw/zinc/56/37/48/411563748.db2.gz PLBSQBAUJFYORJ-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=C1N=NC2C[N@@H+](CCCC3CCC3)CCN12 ZINC000660277997 411563751 /nfs/dbraw/zinc/56/37/51/411563751.db2.gz PLBSQBAUJFYORJ-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=c1[nH]nc2n1CC[N@@H+](CCCC1CCC1)C2 ZINC000660277997 411563753 /nfs/dbraw/zinc/56/37/53/411563753.db2.gz PLBSQBAUJFYORJ-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO O=c1[nH]nc2n1CC[N@H+](CCCC1CCC1)C2 ZINC000660277997 411563754 /nfs/dbraw/zinc/56/37/54/411563754.db2.gz PLBSQBAUJFYORJ-UHFFFAOYSA-N 1 2 236.319 1.380 20 0 BDADLO COCc1nnc(C[NH2+]C[C@@H]2CC=CCC2)[nH]1 ZINC000657605230 411563854 /nfs/dbraw/zinc/56/38/54/411563854.db2.gz LBHANZJIQOPDRQ-SNVBAGLBSA-N 1 2 236.319 1.397 20 0 BDADLO COCc1n[nH]c(C[NH2+]Cc2cccs2)n1 ZINC000657604762 411563864 /nfs/dbraw/zinc/56/38/64/411563864.db2.gz HJKKVJUISURRHA-UHFFFAOYSA-N 1 2 238.316 1.302 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2CC[C@@H](C)C2)n1 ZINC000314492535 170309790 /nfs/dbraw/zinc/30/97/90/170309790.db2.gz NFKHWSHSVOGRKI-MRVPVSSYSA-N 1 2 239.275 1.088 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2CC[C@@H](C)C2)n1 ZINC000314492535 170309791 /nfs/dbraw/zinc/30/97/91/170309791.db2.gz NFKHWSHSVOGRKI-MRVPVSSYSA-N 1 2 239.275 1.088 20 0 BDADLO CCOC(CCNc1cc[nH+]c(C)n1)OCC ZINC000276205013 170315033 /nfs/dbraw/zinc/31/50/33/170315033.db2.gz KHWYYJPLMFJKMI-UHFFFAOYSA-N 1 2 239.319 1.986 20 0 BDADLO CCOC1(C)CC[NH+](Cc2noc(C)n2)CC1 ZINC000336728454 170319190 /nfs/dbraw/zinc/31/91/90/170319190.db2.gz WVHOTNBCBYIPQH-UHFFFAOYSA-N 1 2 239.319 1.769 20 0 BDADLO CCOC1CC([N@H+](C)Cc2nccc(N)n2)C1 ZINC000287082768 170327894 /nfs/dbraw/zinc/32/78/94/170327894.db2.gz WNKBWWQQOKVYCO-UHFFFAOYSA-N 1 2 236.319 1.058 20 0 BDADLO CCOC1CC([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000287082768 170327897 /nfs/dbraw/zinc/32/78/97/170327897.db2.gz WNKBWWQQOKVYCO-UHFFFAOYSA-N 1 2 236.319 1.058 20 0 BDADLO CCOC1CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000338829020 170336631 /nfs/dbraw/zinc/33/66/31/170336631.db2.gz JHUUDQUKIYAPIF-UHFFFAOYSA-N 1 2 232.287 1.491 20 0 BDADLO CCOC1C[NH+](Cc2scnc2C)C1 ZINC000297388126 170336689 /nfs/dbraw/zinc/33/66/89/170336689.db2.gz JDIGNTSRPJYTSN-UHFFFAOYSA-N 1 2 212.318 1.672 20 0 BDADLO CCOC1C[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000297437288 170337206 /nfs/dbraw/zinc/33/72/06/170337206.db2.gz NVAGFRWBOGJDKM-UHFFFAOYSA-N 1 2 231.299 1.784 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C)cn2)[C@@H](C)[C@@H](C)O1 ZINC000660375790 411575486 /nfs/dbraw/zinc/57/54/86/411575486.db2.gz YEODHBRFUBIJRU-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C)cn2)[C@@H](C)[C@@H](C)O1 ZINC000660375790 411575488 /nfs/dbraw/zinc/57/54/88/411575488.db2.gz YEODHBRFUBIJRU-OUAUKWLOSA-N 1 2 223.320 1.418 20 0 BDADLO CCOCC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000293801539 170353353 /nfs/dbraw/zinc/35/33/53/170353353.db2.gz DLHRGOJRASJHLH-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCOCC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000293801539 170353354 /nfs/dbraw/zinc/35/33/54/170353354.db2.gz DLHRGOJRASJHLH-UHFFFAOYSA-N 1 2 239.319 1.274 20 0 BDADLO CCOCC[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000093313623 170390437 /nfs/dbraw/zinc/39/04/37/170390437.db2.gz USOTTYCSMUHQOQ-UHFFFAOYSA-N 1 2 225.336 1.932 20 0 BDADLO CCOCC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000093313623 170390439 /nfs/dbraw/zinc/39/04/39/170390439.db2.gz USOTTYCSMUHQOQ-UHFFFAOYSA-N 1 2 225.336 1.932 20 0 BDADLO CCOCC[N@H+](C)Cc1nccn1C(C)C ZINC000093313419 170392159 /nfs/dbraw/zinc/39/21/59/170392159.db2.gz UBFXKAAHTWLCHR-UHFFFAOYSA-N 1 2 225.336 1.932 20 0 BDADLO CCOCC[N@@H+](C)Cc1nccn1C(C)C ZINC000093313419 170392161 /nfs/dbraw/zinc/39/21/61/170392161.db2.gz UBFXKAAHTWLCHR-UHFFFAOYSA-N 1 2 225.336 1.932 20 0 BDADLO Cc1cc(NCC2(C(N)=O)CCCC2)nc[nH+]1 ZINC000604380239 411643403 /nfs/dbraw/zinc/64/34/03/411643403.db2.gz DXCMIEUQESJWII-UHFFFAOYSA-N 1 2 234.303 1.243 20 0 BDADLO C[N@H+](Cc1noc(C2CC2)n1)CC1(C)COC1 ZINC000660812799 411643743 /nfs/dbraw/zinc/64/37/43/411643743.db2.gz RGCBZRRFYGMYRB-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO C[N@@H+](Cc1noc(C2CC2)n1)CC1(C)COC1 ZINC000660812799 411643749 /nfs/dbraw/zinc/64/37/49/411643749.db2.gz RGCBZRRFYGMYRB-UHFFFAOYSA-N 1 2 237.303 1.415 20 0 BDADLO CCNc1nccnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000663386137 411644242 /nfs/dbraw/zinc/64/42/42/411644242.db2.gz DCERVDLLWSCNAB-JTQLQIEISA-N 1 2 246.318 1.606 20 0 BDADLO CC1=C[C@@H](C)C[N@H+](CCc2cnn[nH]2)C1 ZINC000660460377 411587972 /nfs/dbraw/zinc/58/79/72/411587972.db2.gz UFWPEJSIDPHATK-SECBINFHSA-N 1 2 206.293 1.245 20 0 BDADLO CC1=C[C@@H](C)C[N@@H+](CCc2cnn[nH]2)C1 ZINC000660460377 411587973 /nfs/dbraw/zinc/58/79/73/411587973.db2.gz UFWPEJSIDPHATK-SECBINFHSA-N 1 2 206.293 1.245 20 0 BDADLO C[C@H](NC(=O)NCC(C)(C)C)c1[nH+]ccn1C ZINC000660462702 411589273 /nfs/dbraw/zinc/58/92/73/411589273.db2.gz UPBSJTNRDDOWIM-VIFPVBQESA-N 1 2 238.335 1.826 20 0 BDADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)C1CCCC1 ZINC000657767449 411593704 /nfs/dbraw/zinc/59/37/04/411593704.db2.gz PFIPMDNQIPRRFQ-GFCCVEGCSA-N 1 2 223.320 1.705 20 0 BDADLO Cc1nc(C[N@@H+](C)C2(CO)CC2)c(C)o1 ZINC000660543876 411598373 /nfs/dbraw/zinc/59/83/73/411598373.db2.gz NJOZZLDSGPKPEM-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO Cc1nc(C[N@H+](C)C2(CO)CC2)c(C)o1 ZINC000660543876 411598375 /nfs/dbraw/zinc/59/83/75/411598375.db2.gz NJOZZLDSGPKPEM-UHFFFAOYSA-N 1 2 210.277 1.248 20 0 BDADLO Cn1nncc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657794479 411599866 /nfs/dbraw/zinc/59/98/66/411599866.db2.gz WKYAVJHDYJKYJG-UHFFFAOYSA-N 1 2 232.278 1.586 20 0 BDADLO CCn1cncc1C[NH2+][C@@H](C)c1nccn1C ZINC000657794139 411599944 /nfs/dbraw/zinc/59/99/44/411599944.db2.gz UJAJDULYROQBNG-JTQLQIEISA-N 1 2 233.319 1.487 20 0 BDADLO O[C@H]1C[C@H]([NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000657809582 411601486 /nfs/dbraw/zinc/60/14/86/411601486.db2.gz LJPDTHVIDIOROC-KYZUINATSA-N 1 2 217.272 1.176 20 0 BDADLO Cc1cccc(CN2CCn3c[nH+]cc3C2)n1 ZINC000660578327 411602966 /nfs/dbraw/zinc/60/29/66/411602966.db2.gz ONEIRVQBZRSUPU-UHFFFAOYSA-N 1 2 228.299 1.602 20 0 BDADLO Cc1noc([C@@H](C)N2CCn3c[nH+]cc3C2)n1 ZINC000660580811 411603349 /nfs/dbraw/zinc/60/33/49/411603349.db2.gz VWMYDNSXIHMTBO-MRVPVSSYSA-N 1 2 233.275 1.151 20 0 BDADLO Cc1c[nH]c(CNc2nn(C)cc2C)[nH+]1 ZINC000657812906 411604166 /nfs/dbraw/zinc/60/41/66/411604166.db2.gz WBWRSEPBHJGMMS-UHFFFAOYSA-N 1 2 205.265 1.372 20 0 BDADLO C[C@@H](O)[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000657821652 411607870 /nfs/dbraw/zinc/60/78/70/411607870.db2.gz YPVUSTKBJQSJQN-ZWNOBZJWSA-N 1 2 232.283 1.886 20 0 BDADLO c1nn[nH]c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625215 411608845 /nfs/dbraw/zinc/60/88/45/411608845.db2.gz FZVGKZVDBLCXNX-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1nn[nH]c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625215 411608847 /nfs/dbraw/zinc/60/88/47/411608847.db2.gz FZVGKZVDBLCXNX-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625215 411608848 /nfs/dbraw/zinc/60/88/48/411608848.db2.gz FZVGKZVDBLCXNX-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1[nH]nnc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625215 411608849 /nfs/dbraw/zinc/60/88/49/411608849.db2.gz FZVGKZVDBLCXNX-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625215 411608851 /nfs/dbraw/zinc/60/88/51/411608851.db2.gz FZVGKZVDBLCXNX-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO c1n[nH]nc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625215 411608853 /nfs/dbraw/zinc/60/88/53/411608853.db2.gz FZVGKZVDBLCXNX-LLVKDONJSA-N 1 2 243.314 1.579 20 0 BDADLO Cc1nnc(C[N@H+]2CCC[C@@H](O)[C@H]2C)s1 ZINC000660692756 411615439 /nfs/dbraw/zinc/61/54/39/411615439.db2.gz ROBBQIWSCMSCDG-VXNVDRBHSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1nnc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)s1 ZINC000660692756 411615440 /nfs/dbraw/zinc/61/54/40/411615440.db2.gz ROBBQIWSCMSCDG-VXNVDRBHSA-N 1 2 227.333 1.192 20 0 BDADLO Cc1ccc(N(C)Cc2[nH]cc[nH+]2)nn1 ZINC000663617461 411710298 /nfs/dbraw/zinc/71/02/98/411710298.db2.gz LKAMMKWRAVATHU-UHFFFAOYSA-N 1 2 203.249 1.145 20 0 BDADLO Cc1cc(NCCNc2cc(C)[nH+]cn2)n(C)n1 ZINC000522058544 411649316 /nfs/dbraw/zinc/64/93/16/411649316.db2.gz NJGNDJSHMXPVJN-UHFFFAOYSA-N 1 2 246.318 1.351 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccccn1 ZINC000663404834 411649641 /nfs/dbraw/zinc/64/96/41/411649641.db2.gz MYEKLSATYHZRCC-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccccn1 ZINC000663404834 411649644 /nfs/dbraw/zinc/64/96/44/411649644.db2.gz MYEKLSATYHZRCC-UHFFFAOYSA-N 1 2 245.286 1.146 20 0 BDADLO COc1c(N)[nH+]cnc1NCC[C@@H]1CC1(F)F ZINC000621346822 411681370 /nfs/dbraw/zinc/68/13/70/411681370.db2.gz ZOXYBLGNYMEUDH-ZCFIWIBFSA-N 1 2 244.245 1.525 20 0 BDADLO COc1c(N)nc[nH+]c1NCC[C@@H]1CC1(F)F ZINC000621346822 411681375 /nfs/dbraw/zinc/68/13/75/411681375.db2.gz ZOXYBLGNYMEUDH-ZCFIWIBFSA-N 1 2 244.245 1.525 20 0 BDADLO COCc1noc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660933263 411684205 /nfs/dbraw/zinc/68/42/05/411684205.db2.gz MQRFWZQBMDTZJK-UWVGGRQHSA-N 1 2 237.303 1.590 20 0 BDADLO COCc1noc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660933263 411684209 /nfs/dbraw/zinc/68/42/09/411684209.db2.gz MQRFWZQBMDTZJK-UWVGGRQHSA-N 1 2 237.303 1.590 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC(F)(F)C1 ZINC000661067993 411694404 /nfs/dbraw/zinc/69/44/04/411694404.db2.gz CXEMQVKNWBVOHI-UHFFFAOYSA-N 1 2 244.245 1.349 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC(F)(F)C1 ZINC000661067993 411694406 /nfs/dbraw/zinc/69/44/06/411694406.db2.gz CXEMQVKNWBVOHI-UHFFFAOYSA-N 1 2 244.245 1.349 20 0 BDADLO CC(C)Cn1ncnc1CN(C)Cc1c[nH+]c[nH]1 ZINC000661088495 411700641 /nfs/dbraw/zinc/70/06/41/411700641.db2.gz JTORRQNXQGKHTE-UHFFFAOYSA-N 1 2 248.334 1.289 20 0 BDADLO CC(C)Cn1ncnc1CN(C)Cc1c[nH]c[nH+]1 ZINC000661088495 411700647 /nfs/dbraw/zinc/70/06/47/411700647.db2.gz JTORRQNXQGKHTE-UHFFFAOYSA-N 1 2 248.334 1.289 20 0 BDADLO COc1cccc(NC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC000616947994 411747266 /nfs/dbraw/zinc/74/72/66/411747266.db2.gz PSYPBAPJRLHNFE-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515300 411794298 /nfs/dbraw/zinc/79/42/98/411794298.db2.gz WXLQGGJQSDKYFF-GFCCVEGCSA-N 1 2 236.290 1.661 20 0 BDADLO CCC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661405231 411769525 /nfs/dbraw/zinc/76/95/25/411769525.db2.gz CZUFYGUPVMSXFX-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO CCC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661405231 411769529 /nfs/dbraw/zinc/76/95/29/411769529.db2.gz CZUFYGUPVMSXFX-BDAKNGLRSA-N 1 2 207.264 1.877 20 0 BDADLO C[C@H]([NH2+]CC(=O)N1CCC1)c1cscn1 ZINC000661419312 411771625 /nfs/dbraw/zinc/77/16/25/411771625.db2.gz DIVWSFMWCBHVLM-QMMMGPOBSA-N 1 2 225.317 1.026 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515300 411794300 /nfs/dbraw/zinc/79/43/00/411794300.db2.gz WXLQGGJQSDKYFF-GFCCVEGCSA-N 1 2 236.290 1.661 20 0 BDADLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000661443432 411778434 /nfs/dbraw/zinc/77/84/34/411778434.db2.gz QSBLJYXSMLUCPN-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000661443432 411778436 /nfs/dbraw/zinc/77/84/36/411778436.db2.gz QSBLJYXSMLUCPN-GXSJLCMTSA-N 1 2 241.360 1.521 20 0 BDADLO Cn1ncnc1C[NH+]1CCC(c2ccco2)CC1 ZINC000661162171 411724132 /nfs/dbraw/zinc/72/41/32/411724132.db2.gz KJHPGLRHIYJBNT-UHFFFAOYSA-N 1 2 246.314 1.788 20 0 BDADLO NC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512264 411794615 /nfs/dbraw/zinc/79/46/15/411794615.db2.gz CTJBFRNAJXICGV-SNVBAGLBSA-N 1 2 208.236 1.058 20 0 BDADLO NC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512264 411794617 /nfs/dbraw/zinc/79/46/17/411794617.db2.gz CTJBFRNAJXICGV-SNVBAGLBSA-N 1 2 208.236 1.058 20 0 BDADLO CCc1nocc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661538367 411797747 /nfs/dbraw/zinc/79/77/47/411797747.db2.gz IJBHPEWVVIXXII-NXEZZACHSA-N 1 2 236.315 1.894 20 0 BDADLO COc1ccc(CNc2cc(C)[nH+]cn2)nn1 ZINC000663984686 411802353 /nfs/dbraw/zinc/80/23/53/411802353.db2.gz VLHPZMNGDHCGKO-UHFFFAOYSA-N 1 2 231.259 1.196 20 0 BDADLO CCn1ncnc1COc1cc[nH+]cc1 ZINC000664015563 411814620 /nfs/dbraw/zinc/81/46/20/411814620.db2.gz IFIAAUSJMIZIHM-UHFFFAOYSA-N 1 2 204.233 1.272 20 0 BDADLO Cc1cc(N[C@H](CO)c2cccnc2)nc[nH+]1 ZINC000664023703 411817888 /nfs/dbraw/zinc/81/78/88/411817888.db2.gz AHBKIFRQLQSJCL-LLVKDONJSA-N 1 2 230.271 1.326 20 0 BDADLO C[C@@H](c1csnn1)[N@H+](C)CC1=CCCOC1 ZINC000661651546 411827751 /nfs/dbraw/zinc/82/77/51/411827751.db2.gz AIOSXACASKEGPE-VIFPVBQESA-N 1 2 239.344 1.878 20 0 BDADLO C[C@@H](c1csnn1)[N@@H+](C)CC1=CCCOC1 ZINC000661651546 411827754 /nfs/dbraw/zinc/82/77/54/411827754.db2.gz AIOSXACASKEGPE-VIFPVBQESA-N 1 2 239.344 1.878 20 0 BDADLO COc1cc(C)[nH+]c(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000661722495 411857524 /nfs/dbraw/zinc/85/75/24/411857524.db2.gz IPNPUTUPEAUVPP-SMDDNHRTSA-N 1 2 248.326 1.355 20 0 BDADLO Cn1cc(C[N@H+](C)CC2=CCCC2)nn1 ZINC000661743410 411863615 /nfs/dbraw/zinc/86/36/15/411863615.db2.gz HKOYDJMNQNBZLP-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO Cn1cc(C[N@@H+](C)CC2=CCCC2)nn1 ZINC000661743410 411863618 /nfs/dbraw/zinc/86/36/18/411863618.db2.gz HKOYDJMNQNBZLP-UHFFFAOYSA-N 1 2 206.293 1.357 20 0 BDADLO CO[C@@H]1C[C@H](Nc2nc(C)[nH+]c(N)n2)C12CCC2 ZINC000631301030 411899426 /nfs/dbraw/zinc/89/94/26/411899426.db2.gz MZXCQSLOGUVEIX-DTWKUNHWSA-N 1 2 249.318 1.132 20 0 BDADLO CO[C@@H]1C[C@H](Nc2nc(N)nc(C)[nH+]2)C12CCC2 ZINC000631301030 411899430 /nfs/dbraw/zinc/89/94/30/411899430.db2.gz MZXCQSLOGUVEIX-DTWKUNHWSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1cnc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)nc1 ZINC000661856474 411905384 /nfs/dbraw/zinc/90/53/84/411905384.db2.gz HSMVVGIXVXLEDX-NEPJUHHUSA-N 1 2 235.331 1.784 20 0 BDADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)nc1 ZINC000661856474 411905386 /nfs/dbraw/zinc/90/53/86/411905386.db2.gz HSMVVGIXVXLEDX-NEPJUHHUSA-N 1 2 235.331 1.784 20 0 BDADLO CCc1cc(N[C@@H](C)C2(CO)CC2)nc[nH+]1 ZINC000664271414 411907726 /nfs/dbraw/zinc/90/77/26/411907726.db2.gz JNEBCEUJXSGPOS-VIFPVBQESA-N 1 2 221.304 1.612 20 0 BDADLO Cc1nc(NC[C@@H]2CCC(F)(F)C2)nc(N)[nH+]1 ZINC000631260174 411942899 /nfs/dbraw/zinc/94/28/99/411942899.db2.gz DMYOCMYELCFYHT-SSDOTTSWSA-N 1 2 243.261 1.031 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC(F)(F)C2)[nH+]1 ZINC000631260174 411942905 /nfs/dbraw/zinc/94/29/05/411942905.db2.gz DMYOCMYELCFYHT-SSDOTTSWSA-N 1 2 243.261 1.031 20 0 BDADLO C[C@H](c1csnn1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966133 411923839 /nfs/dbraw/zinc/92/38/39/411923839.db2.gz FFTFPOGPVKRRAB-IWSPIJDZSA-N 1 2 209.318 1.941 20 0 BDADLO C[C@H](c1csnn1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966133 411923843 /nfs/dbraw/zinc/92/38/43/411923843.db2.gz FFTFPOGPVKRRAB-IWSPIJDZSA-N 1 2 209.318 1.941 20 0 BDADLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661969000 411925807 /nfs/dbraw/zinc/92/58/07/411925807.db2.gz ASRLCXZHBWJGTE-UTLUCORTSA-N 1 2 237.303 1.619 20 0 BDADLO CO[C@H](C)c1noc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000661969000 411925812 /nfs/dbraw/zinc/92/58/12/411925812.db2.gz ASRLCXZHBWJGTE-UTLUCORTSA-N 1 2 237.303 1.619 20 0 BDADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H](C)C1O ZINC000664349387 411928265 /nfs/dbraw/zinc/92/82/65/411928265.db2.gz KPQHSQVTMJWBID-NXEZZACHSA-N 1 2 247.342 1.807 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc[nH]n1 ZINC000661979059 411933813 /nfs/dbraw/zinc/93/38/13/411933813.db2.gz SYHYZIVBYYLWNM-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cc[nH]n1 ZINC000661979059 411933815 /nfs/dbraw/zinc/93/38/15/411933815.db2.gz SYHYZIVBYYLWNM-LLVKDONJSA-N 1 2 235.331 1.943 20 0 BDADLO Cc1nc(NC[C@@H]2CCC[C@H]3C[C@H]32)nc(N)[nH+]1 ZINC000631370702 411943614 /nfs/dbraw/zinc/94/36/14/411943614.db2.gz SRIWQYAWVXVKFX-LPEHRKFASA-N 1 2 233.319 1.032 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2CCC[C@H]3C[C@H]32)[nH+]1 ZINC000631370702 411943618 /nfs/dbraw/zinc/94/36/18/411943618.db2.gz SRIWQYAWVXVKFX-LPEHRKFASA-N 1 2 233.319 1.032 20 0 BDADLO O[C@@H]1C[C@@H](Nc2cccc[nH+]2)C12CCC2 ZINC000664465025 411966560 /nfs/dbraw/zinc/96/65/60/411966560.db2.gz CZQZXOYAJNDERK-NXEZZACHSA-N 1 2 204.273 1.797 20 0 BDADLO Cc1nc(NC2([C@@H](C)O)CC2)c2c([nH+]1)CCCC2 ZINC000664551484 411985065 /nfs/dbraw/zinc/98/50/65/411985065.db2.gz TXXCMBHJRDDOCM-SECBINFHSA-N 1 2 247.342 1.989 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000664605423 411996963 /nfs/dbraw/zinc/99/69/63/411996963.db2.gz ZIPOSRVYZUORSJ-ANLVUFKYSA-N 1 2 228.683 1.302 20 0 BDADLO CO[C@@]1(C)C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000664605423 411996965 /nfs/dbraw/zinc/99/69/65/411996965.db2.gz ZIPOSRVYZUORSJ-ANLVUFKYSA-N 1 2 228.683 1.302 20 0 BDADLO CC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000361940014 170931568 /nfs/dbraw/zinc/93/15/68/170931568.db2.gz AKHACNWGIXKUQL-GHMZBOCLSA-N 1 2 225.288 1.424 20 0 BDADLO CC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000361940014 170931569 /nfs/dbraw/zinc/93/15/69/170931569.db2.gz AKHACNWGIXKUQL-GHMZBOCLSA-N 1 2 225.288 1.424 20 0 BDADLO C[C@H](O)[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000664438019 411957022 /nfs/dbraw/zinc/95/70/22/411957022.db2.gz CQRCLOIYSZCHDW-GXSJLCMTSA-N 1 2 233.315 1.704 20 0 BDADLO CCc1nc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)no1 ZINC000662039975 411958782 /nfs/dbraw/zinc/95/87/82/411958782.db2.gz QBGMZCODNJXAGM-NXEZZACHSA-N 1 2 237.303 1.100 20 0 BDADLO CCc1nc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)no1 ZINC000662039975 411958786 /nfs/dbraw/zinc/95/87/86/411958786.db2.gz QBGMZCODNJXAGM-NXEZZACHSA-N 1 2 237.303 1.100 20 0 BDADLO Cn1nnc(C[N@@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000662044701 411963236 /nfs/dbraw/zinc/96/32/36/411963236.db2.gz SZMBIZFAVPZFTL-NSHDSACASA-N 1 2 235.335 1.222 20 0 BDADLO Cn1nnc(C[N@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000662044701 411963240 /nfs/dbraw/zinc/96/32/40/411963240.db2.gz SZMBIZFAVPZFTL-NSHDSACASA-N 1 2 235.335 1.222 20 0 BDADLO C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823888 412026994 /nfs/dbraw/zinc/02/69/94/412026994.db2.gz QQWOIBTZMBBTHO-ONGXEEELSA-N 1 2 233.315 1.338 20 0 BDADLO C[C@@H](C(N)=O)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823888 412026996 /nfs/dbraw/zinc/02/69/96/412026996.db2.gz QQWOIBTZMBBTHO-ONGXEEELSA-N 1 2 233.315 1.338 20 0 BDADLO CN(C)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830539 412028745 /nfs/dbraw/zinc/02/87/45/412028745.db2.gz WFVYOTVVBKMNPY-CYBMUJFWSA-N 1 2 247.342 1.553 20 0 BDADLO CN(C)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830539 412028749 /nfs/dbraw/zinc/02/87/49/412028749.db2.gz WFVYOTVVBKMNPY-CYBMUJFWSA-N 1 2 247.342 1.553 20 0 BDADLO Cc1cc(C[N@@H+]2CCCc3n[nH]cc3C2)on1 ZINC000664860831 412034033 /nfs/dbraw/zinc/03/40/33/412034033.db2.gz KGCXOWQKBZKQTO-UHFFFAOYSA-N 1 2 232.287 1.655 20 0 BDADLO Cc1cc(C[N@H+]2CCCc3n[nH]cc3C2)on1 ZINC000664860831 412034037 /nfs/dbraw/zinc/03/40/37/412034037.db2.gz KGCXOWQKBZKQTO-UHFFFAOYSA-N 1 2 232.287 1.655 20 0 BDADLO c1csc(C[N@@H+]2CCCc3n[nH]cc3C2)n1 ZINC000664862594 412034248 /nfs/dbraw/zinc/03/42/48/412034248.db2.gz QNWPEKFRRQCMJC-UHFFFAOYSA-N 1 2 234.328 1.815 20 0 BDADLO c1csc(C[N@H+]2CCCc3n[nH]cc3C2)n1 ZINC000664862594 412034251 /nfs/dbraw/zinc/03/42/51/412034251.db2.gz QNWPEKFRRQCMJC-UHFFFAOYSA-N 1 2 234.328 1.815 20 0 BDADLO CC[C@@H](O)C[N@H+](C)Cc1nnc(C)s1 ZINC000662256770 412051648 /nfs/dbraw/zinc/05/16/48/412051648.db2.gz NZHGJRKSGSVVTA-MRVPVSSYSA-N 1 2 215.322 1.049 20 0 BDADLO CC[C@@H](O)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662256770 412051650 /nfs/dbraw/zinc/05/16/50/412051650.db2.gz NZHGJRKSGSVVTA-MRVPVSSYSA-N 1 2 215.322 1.049 20 0 BDADLO CC[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000293901994 171016770 /nfs/dbraw/zinc/01/67/70/171016770.db2.gz FVJCSWPCTSIMQI-SNVBAGLBSA-N 1 2 207.277 1.353 20 0 BDADLO CC[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000293901994 171016771 /nfs/dbraw/zinc/01/67/71/171016771.db2.gz FVJCSWPCTSIMQI-SNVBAGLBSA-N 1 2 207.277 1.353 20 0 BDADLO CC[C@@H]1CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336557112 171019960 /nfs/dbraw/zinc/01/99/60/171019960.db2.gz GMUABTPEAOEFKJ-GHMZBOCLSA-N 1 2 233.315 1.456 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cncn2C)C[C@H](C)O1 ZINC000177068127 171090635 /nfs/dbraw/zinc/09/06/35/171090635.db2.gz CFCAVPWEBNNWBD-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H](C)O1 ZINC000177068127 171090638 /nfs/dbraw/zinc/09/06/38/171090638.db2.gz CFCAVPWEBNNWBD-CMPLNLGQSA-N 1 2 223.320 1.419 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnns2)CCCO1 ZINC000336695412 171090912 /nfs/dbraw/zinc/09/09/12/171090912.db2.gz NWBZXOQVURWWTP-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnns2)CCCO1 ZINC000336695412 171090914 /nfs/dbraw/zinc/09/09/14/171090914.db2.gz NWBZXOQVURWWTP-SECBINFHSA-N 1 2 227.333 1.539 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(CO)o1 ZINC000169057480 171110003 /nfs/dbraw/zinc/11/00/03/171110003.db2.gz JLFKEASMCIRGKV-WDEREUQCSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(CO)o1 ZINC000169057480 171110008 /nfs/dbraw/zinc/11/00/08/171110008.db2.gz JLFKEASMCIRGKV-WDEREUQCSA-N 1 2 239.315 1.771 20 0 BDADLO CC[C@@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CCO1 ZINC000330788432 171115445 /nfs/dbraw/zinc/11/54/45/171115445.db2.gz YPAZROLWGVIKGB-VHSXEESVSA-N 1 2 237.303 1.231 20 0 BDADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccon1 ZINC000336493623 171206566 /nfs/dbraw/zinc/20/65/66/171206566.db2.gz GCLCVONISYXOBI-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccon1 ZINC000336493623 171206567 /nfs/dbraw/zinc/20/65/67/171206567.db2.gz GCLCVONISYXOBI-NSHDSACASA-N 1 2 210.277 1.676 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+]1CCOC2(CCCC2)C1 ZINC000361676380 171240854 /nfs/dbraw/zinc/24/08/54/171240854.db2.gz XKFJVRLYTHREQX-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+]1CCOC2(CCCC2)C1 ZINC000361676380 171240855 /nfs/dbraw/zinc/24/08/55/171240855.db2.gz XKFJVRLYTHREQX-LLVKDONJSA-N 1 2 241.331 1.583 20 0 BDADLO CC[C@H](C(=O)OC)[N@H+](C)Cc1cnc(C)s1 ZINC000173227101 171240875 /nfs/dbraw/zinc/24/08/75/171240875.db2.gz DXFLYYJJZPMNTA-SNVBAGLBSA-N 1 2 242.344 1.835 20 0 BDADLO CC[C@H](C(=O)OC)[N@@H+](C)Cc1cnc(C)s1 ZINC000173227101 171240876 /nfs/dbraw/zinc/24/08/76/171240876.db2.gz DXFLYYJJZPMNTA-SNVBAGLBSA-N 1 2 242.344 1.835 20 0 BDADLO CC[C@H](C(N)=O)[N@H+](C)Cc1scnc1C ZINC000066563750 171242883 /nfs/dbraw/zinc/24/28/83/171242883.db2.gz WMVXHBALFHBVPD-MRVPVSSYSA-N 1 2 227.333 1.147 20 0 BDADLO CC[C@H](C(N)=O)[N@@H+](C)Cc1scnc1C ZINC000066563750 171242885 /nfs/dbraw/zinc/24/28/85/171242885.db2.gz WMVXHBALFHBVPD-MRVPVSSYSA-N 1 2 227.333 1.147 20 0 BDADLO CC[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000336432290 171248966 /nfs/dbraw/zinc/24/89/66/171248966.db2.gz WYDJGNKLMVSNFC-WCQYABFASA-N 1 2 247.342 1.601 20 0 BDADLO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000309696745 171326496 /nfs/dbraw/zinc/32/64/96/171326496.db2.gz LGNCJYXXOASWPD-IUCAKERBSA-N 1 2 225.292 1.240 20 0 BDADLO CC[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000331363423 171330457 /nfs/dbraw/zinc/33/04/57/171330457.db2.gz AGZSYNDMQANVDS-IVZWLZJFSA-N 1 2 236.319 1.987 20 0 BDADLO CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000336615785 171333062 /nfs/dbraw/zinc/33/30/62/171333062.db2.gz LHDOBVCMNVMRIX-VHSXEESVSA-N 1 2 221.304 1.360 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cc(C)[nH+]cn1 ZINC000301278229 171378648 /nfs/dbraw/zinc/37/86/48/171378648.db2.gz ZIQMXXULOPILFH-WPRPVWTQSA-N 1 2 209.293 1.604 20 0 BDADLO CC[C@H](C)[C@H](NCc1[nH+]ccn1C)C(=O)OC ZINC000049856706 171399526 /nfs/dbraw/zinc/39/95/26/171399526.db2.gz PJAQEPSTUYWDEX-ONGXEEELSA-N 1 2 239.319 1.097 20 0 BDADLO CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665093469 412090052 /nfs/dbraw/zinc/09/00/52/412090052.db2.gz HJCDRTBIWITPHF-NXEZZACHSA-N 1 2 221.304 1.392 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@@](C)(C(F)F)O1 ZINC000662361058 412124171 /nfs/dbraw/zinc/12/41/71/412124171.db2.gz JRHWNOVTAOUQFD-KWQFWETISA-N 1 2 246.257 1.919 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@@](C)(C(F)F)O1 ZINC000662361058 412124174 /nfs/dbraw/zinc/12/41/74/412124174.db2.gz JRHWNOVTAOUQFD-KWQFWETISA-N 1 2 246.257 1.919 20 0 BDADLO C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@](C)(C(F)F)O1 ZINC000662366865 412125443 /nfs/dbraw/zinc/12/54/43/412125443.db2.gz UAMBURGJEPRTTF-KCJUWKMLSA-N 1 2 245.273 1.654 20 0 BDADLO CC[C@H](CO)Nc1cc[nH+]c2ccncc12 ZINC000267213537 171454855 /nfs/dbraw/zinc/45/48/55/171454855.db2.gz MEGLLWJSMXJEKL-SECBINFHSA-N 1 2 217.272 1.813 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](Cc2ccccn2)CCO1 ZINC000662371693 412127942 /nfs/dbraw/zinc/12/79/42/412127942.db2.gz NZFCGVNZGRMSOZ-GFCCVEGCSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](Cc2ccccn2)CCO1 ZINC000662371693 412127957 /nfs/dbraw/zinc/12/79/57/412127957.db2.gz NZFCGVNZGRMSOZ-GFCCVEGCSA-N 1 2 242.269 1.938 20 0 BDADLO C[C@@]1(C(F)F)C[N@H+](CCOCC2CC2)CCO1 ZINC000662372500 412129701 /nfs/dbraw/zinc/12/97/01/412129701.db2.gz XZERRALWQXQRMA-LBPRGKRZSA-N 1 2 249.301 1.769 20 0 BDADLO C[C@@]1(C(F)F)C[N@@H+](CCOCC2CC2)CCO1 ZINC000662372500 412129702 /nfs/dbraw/zinc/12/97/02/412129702.db2.gz XZERRALWQXQRMA-LBPRGKRZSA-N 1 2 249.301 1.769 20 0 BDADLO CCc1cc(NC[C@@H](O)C2CCC2)nc[nH+]1 ZINC000315483481 412201624 /nfs/dbraw/zinc/20/16/24/412201624.db2.gz BGOKACCBBCBAFV-LLVKDONJSA-N 1 2 221.304 1.612 20 0 BDADLO CC[C@H]([NH2+]Cc1cocn1)[C@H](O)C(F)(F)F ZINC000277073695 171534121 /nfs/dbraw/zinc/53/41/21/171534121.db2.gz SUDBJBHRQHSXBQ-YUMQZZPRSA-N 1 2 238.209 1.466 20 0 BDADLO CC[C@H](O)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000361086350 171554819 /nfs/dbraw/zinc/55/48/19/171554819.db2.gz SONPEVRSERTICD-NSHDSACASA-N 1 2 237.347 1.985 20 0 BDADLO C[N@@H+]1CCOC[C@H]1CNc1nc2ccccc2o1 ZINC000624618519 412255888 /nfs/dbraw/zinc/25/58/88/412255888.db2.gz DRBDYKJEGIEADZ-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO C[N@H+]1CCOC[C@H]1CNc1nc2ccccc2o1 ZINC000624618519 412255890 /nfs/dbraw/zinc/25/58/90/412255890.db2.gz DRBDYKJEGIEADZ-SNVBAGLBSA-N 1 2 247.298 1.570 20 0 BDADLO CC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000279832428 171628960 /nfs/dbraw/zinc/62/89/60/171628960.db2.gz JCATVPZAXOQLMP-NSHDSACASA-N 1 2 235.331 1.611 20 0 BDADLO Cc1nnc([C@@H](C)[N@H+](C)CCOC(C)(C)C)[nH]1 ZINC000663132695 412387838 /nfs/dbraw/zinc/38/78/38/412387838.db2.gz PZOHATPEYHCLFM-SECBINFHSA-N 1 2 240.351 1.921 20 0 BDADLO Cc1nnc([C@@H](C)[N@@H+](C)CCOC(C)(C)C)[nH]1 ZINC000663132695 412387840 /nfs/dbraw/zinc/38/78/40/412387840.db2.gz PZOHATPEYHCLFM-SECBINFHSA-N 1 2 240.351 1.921 20 0 BDADLO CCN1C(=O)C(C)(C)N[C@H]1c1c[nH+]c2n1CCC2 ZINC000663231871 412395846 /nfs/dbraw/zinc/39/58/46/412395846.db2.gz QEPIUHYBSRHDHK-LLVKDONJSA-N 1 2 248.330 1.058 20 0 BDADLO CC1(C)C[C@]1(C)NC(=O)NCCn1cc[nH+]c1 ZINC000663235125 412396982 /nfs/dbraw/zinc/39/69/82/412396982.db2.gz HERUWNZKLVPOBQ-LBPRGKRZSA-N 1 2 236.319 1.371 20 0 BDADLO CCc1nc([C@H](C)[NH2+][C@H]2CCNC2=O)cs1 ZINC000179067447 172007789 /nfs/dbraw/zinc/00/77/89/172007789.db2.gz KQMAXBXXKPEDJZ-YUMQZZPRSA-N 1 2 239.344 1.245 20 0 BDADLO CCc1ncnc(NCc2ccc(N)[nH+]c2)c1F ZINC000302768844 172033511 /nfs/dbraw/zinc/03/35/11/172033511.db2.gz MIROKWPYUBHZES-UHFFFAOYSA-N 1 2 247.277 1.767 20 0 BDADLO CCc1nn(C)cc1NCc1[nH]cc[nH+]1 ZINC000091070479 172043154 /nfs/dbraw/zinc/04/31/54/172043154.db2.gz IZBWGMASBNJGMQ-UHFFFAOYSA-N 1 2 205.265 1.318 20 0 BDADLO CCc1nnc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)o1 ZINC000329250468 172049523 /nfs/dbraw/zinc/04/95/23/172049523.db2.gz UJSBNRRCNAZTPH-SECBINFHSA-N 1 2 247.302 1.692 20 0 BDADLO CCc1noc(C)c1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000294050031 172079796 /nfs/dbraw/zinc/07/97/96/172079796.db2.gz PQWPRGKOQRSMQY-UHFFFAOYSA-N 1 2 248.286 1.507 20 0 BDADLO CCc1noc([C@@H](C)[N@H+](C)C[C@@H](C)OC)n1 ZINC000353224752 172088886 /nfs/dbraw/zinc/08/88/86/172088886.db2.gz CKKPQZFITWVUQA-RKDXNWHRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+](C)C[C@@H](C)OC)n1 ZINC000353224752 172088889 /nfs/dbraw/zinc/08/88/89/172088889.db2.gz CKKPQZFITWVUQA-RKDXNWHRSA-N 1 2 227.308 1.660 20 0 BDADLO CCc1noc([C@@H](C)[N@@H+]2CC[C@H](OC)C2)n1 ZINC000332704123 172089688 /nfs/dbraw/zinc/08/96/88/172089688.db2.gz XQYLNNZOJABWHD-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc([C@@H](C)[N@H+]2CC[C@H](OC)C2)n1 ZINC000332704123 172089689 /nfs/dbraw/zinc/08/96/89/172089689.db2.gz XQYLNNZOJABWHD-BDAKNGLRSA-N 1 2 225.292 1.414 20 0 BDADLO CCc1noc([C@H](C)[N@H+](C)CC[C@H](C)O)n1 ZINC000304344619 172090137 /nfs/dbraw/zinc/09/01/37/172090137.db2.gz ZZKAXHVEUXBLGP-IUCAKERBSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1noc([C@H](C)[N@@H+](C)CC[C@H](C)O)n1 ZINC000304344619 172090139 /nfs/dbraw/zinc/09/01/39/172090139.db2.gz ZZKAXHVEUXBLGP-IUCAKERBSA-N 1 2 227.308 1.396 20 0 BDADLO CCc1nocc1CN(C)Cc1[nH]cc[nH+]1 ZINC000293267602 172096177 /nfs/dbraw/zinc/09/61/77/172096177.db2.gz BSZWGWXOPAQNNH-UHFFFAOYSA-N 1 2 220.276 1.592 20 0 BDADLO CCn1cc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000091810208 172163978 /nfs/dbraw/zinc/16/39/78/172163978.db2.gz JYZVZNLICSQKFJ-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000091810208 172163981 /nfs/dbraw/zinc/16/39/81/172163981.db2.gz JYZVZNLICSQKFJ-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1cc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)cn1 ZINC000282021455 172174128 /nfs/dbraw/zinc/17/41/28/172174128.db2.gz DYVSMDDGLVKPOG-NSHDSACASA-N 1 2 247.346 1.796 20 0 BDADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)cn1 ZINC000353311414 172194994 /nfs/dbraw/zinc/19/49/94/172194994.db2.gz ZWRJFRJDVFJGOS-NXEZZACHSA-N 1 2 248.334 1.443 20 0 BDADLO CCn1ccnc1C[N@H+](C)CCc1cnccn1 ZINC000357047112 172217762 /nfs/dbraw/zinc/21/77/62/172217762.db2.gz YSQPMXKOUSBRAE-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1ccnc1C[N@@H+](C)CCc1cnccn1 ZINC000357047112 172217763 /nfs/dbraw/zinc/21/77/63/172217763.db2.gz YSQPMXKOUSBRAE-UHFFFAOYSA-N 1 2 245.330 1.368 20 0 BDADLO CCn1cc[nH+]c1CN1CC(F)(F)C[C@H]1CO ZINC000364604019 172219880 /nfs/dbraw/zinc/21/98/80/172219880.db2.gz HDCRPHQYIMUTOQ-VIFPVBQESA-N 1 2 245.273 1.105 20 0 BDADLO CCn1cc[nH+]c1CN1CCOC[C@]1(C)CC ZINC000336696925 172220163 /nfs/dbraw/zinc/22/01/63/172220163.db2.gz JXIZCOCDTILSKE-ZDUSSCGKSA-N 1 2 237.347 1.904 20 0 BDADLO CCn1ccnc1C[N@H+](C)[C@H]1CCOC1 ZINC000106884091 172220605 /nfs/dbraw/zinc/22/06/05/172220605.db2.gz NCUYLWBRVBWXKK-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ccnc1C[N@@H+](C)[C@H]1CCOC1 ZINC000106884091 172220608 /nfs/dbraw/zinc/22/06/08/172220608.db2.gz NCUYLWBRVBWXKK-JTQLQIEISA-N 1 2 209.293 1.124 20 0 BDADLO CCn1ccnc1C[N@H+](CCOC)C1CC1 ZINC000336700954 172220688 /nfs/dbraw/zinc/22/06/88/172220688.db2.gz LRPMSAWSMDTTRO-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1ccnc1C[N@@H+](CCOC)C1CC1 ZINC000336700954 172220690 /nfs/dbraw/zinc/22/06/90/172220690.db2.gz LRPMSAWSMDTTRO-UHFFFAOYSA-N 1 2 223.320 1.514 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C1=CCCC1 ZINC000352568965 172221792 /nfs/dbraw/zinc/22/17/92/172221792.db2.gz IUXLSXSGKQDYRS-UHFFFAOYSA-N 1 2 219.288 1.630 20 0 BDADLO CCn1cc[nH+]c1CNC(=O)C(C)(C)C1CC1 ZINC000295470329 172223043 /nfs/dbraw/zinc/22/30/43/172223043.db2.gz CXKVPLUHCQURQF-UHFFFAOYSA-N 1 2 235.331 1.955 20 0 BDADLO CCn1cc[nH+]c1CN[C@H](C)c1ccon1 ZINC000309974772 172224755 /nfs/dbraw/zinc/22/47/55/172224755.db2.gz RXGSNDUIHPIFLN-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CCn1cc[nH+]c1CNc1nccc(C)n1 ZINC000295059089 172226325 /nfs/dbraw/zinc/22/63/25/172226325.db2.gz VETMIWDTYUMBPG-UHFFFAOYSA-N 1 2 217.276 1.614 20 0 BDADLO CCn1cnnc1CNc1cc[nH+]c(C2CC2)n1 ZINC000112514845 172236420 /nfs/dbraw/zinc/23/64/20/172236420.db2.gz UDWKISGERMQRGE-UHFFFAOYSA-N 1 2 244.302 1.578 20 0 BDADLO CCn1nc(C)c(CNc2ccc(C)[nH+]c2)n1 ZINC000295803696 172246789 /nfs/dbraw/zinc/24/67/89/172246789.db2.gz SUXMKUMJKQXDIT-UHFFFAOYSA-N 1 2 231.303 1.922 20 0 BDADLO CCn1nccc1C[N@H+](C)Cc1ccnn1C ZINC000352367669 172264024 /nfs/dbraw/zinc/26/40/24/172264024.db2.gz AWUGZBSLMXFKIB-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1nccc1C[N@@H+](C)Cc1ccnn1C ZINC000352367669 172264027 /nfs/dbraw/zinc/26/40/27/172264027.db2.gz AWUGZBSLMXFKIB-UHFFFAOYSA-N 1 2 233.319 1.269 20 0 BDADLO CCn1nccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000190033320 172265848 /nfs/dbraw/zinc/26/58/48/172265848.db2.gz YEQMDXZHNQWGME-CYBMUJFWSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1nccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000190033320 172265850 /nfs/dbraw/zinc/26/58/50/172265850.db2.gz YEQMDXZHNQWGME-CYBMUJFWSA-N 1 2 249.314 1.185 20 0 BDADLO CCn1nccc1C[NH2+][C@H](C)c1ccon1 ZINC000309974223 172273325 /nfs/dbraw/zinc/27/33/25/172273325.db2.gz RNKZCXUNDVNHQG-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCSC1 ZINC000284397055 172293128 /nfs/dbraw/zinc/29/31/28/172293128.db2.gz NAQGKAHRRZHTKZ-VMZHVLLKSA-N 1 2 237.328 1.387 20 0 BDADLO CN(C(=O)C[NH+]1CCCCC1)c1nccs1 ZINC000298697238 172307522 /nfs/dbraw/zinc/30/75/22/172307522.db2.gz HNARNTIKPFJNCM-UHFFFAOYSA-N 1 2 239.344 1.592 20 0 BDADLO CN(C(=O)NCc1[nH+]ccn1C)C1CCCC1 ZINC000265119494 172321844 /nfs/dbraw/zinc/32/18/44/172321844.db2.gz FZVPMUBNCDGVGO-UHFFFAOYSA-N 1 2 236.319 1.504 20 0 BDADLO CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353172903 172358178 /nfs/dbraw/zinc/35/81/78/172358178.db2.gz UKUXFVYCDFSNCG-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CN(C)C(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353172903 172358180 /nfs/dbraw/zinc/35/81/80/172358180.db2.gz UKUXFVYCDFSNCG-MRVPVSSYSA-N 1 2 220.263 1.194 20 0 BDADLO CN(C)C(=O)C[NH2+]Cc1c(F)cccc1Cl ZINC000037207315 172370291 /nfs/dbraw/zinc/37/02/91/172370291.db2.gz OPAURGDOERZDJF-UHFFFAOYSA-N 1 2 244.697 1.657 20 0 BDADLO CN(C)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000336295546 172376145 /nfs/dbraw/zinc/37/61/45/172376145.db2.gz OARXOAOMMUMMMP-VIFPVBQESA-N 1 2 236.319 1.485 20 0 BDADLO C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127757015 172398571 /nfs/dbraw/zinc/39/85/71/172398571.db2.gz ACADFWCLNGWPQD-QWHCGFSZSA-N 1 2 239.407 1.543 20 0 BDADLO C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127757015 172398572 /nfs/dbraw/zinc/39/85/72/172398572.db2.gz ACADFWCLNGWPQD-QWHCGFSZSA-N 1 2 239.407 1.543 20 0 BDADLO CN(C[C@H]1CCOC1)c1cc[nH+]c(C2CC2)n1 ZINC000267243259 172834387 /nfs/dbraw/zinc/83/43/87/172834387.db2.gz SFKMRUPLIHKAIG-SNVBAGLBSA-N 1 2 233.315 1.827 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1c[nH]ccc1=O ZINC000098012627 173005623 /nfs/dbraw/zinc/00/56/23/173005623.db2.gz XNTIKDKRLJZMRT-SNVBAGLBSA-N 1 2 235.287 1.210 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1c[nH]ccc1=O ZINC000098012627 173005625 /nfs/dbraw/zinc/00/56/25/173005625.db2.gz XNTIKDKRLJZMRT-SNVBAGLBSA-N 1 2 235.287 1.210 20 0 BDADLO CN1CCC[C@H](Nc2cccc[nH+]2)C1=O ZINC000336356372 173046607 /nfs/dbraw/zinc/04/66/07/173046607.db2.gz VJRXNVKGQUKUPE-VIFPVBQESA-N 1 2 205.261 1.114 20 0 BDADLO C[NH+]1CCN(C(=O)c2ccoc2Cl)CC1 ZINC000234329643 173074401 /nfs/dbraw/zinc/07/44/01/173074401.db2.gz XCTAYZNQFATQOU-UHFFFAOYSA-N 1 2 228.679 1.321 20 0 BDADLO C[N@@H+]1CCc2ncnc(NC[C@H]3CCCO3)c2C1 ZINC000296346026 173173186 /nfs/dbraw/zinc/17/31/86/173173186.db2.gz QRSNEJLCIIYTSQ-SNVBAGLBSA-N 1 2 248.330 1.055 20 0 BDADLO C[N@H+]1CCc2ncnc(NC[C@H]3CCCO3)c2C1 ZINC000296346026 173173187 /nfs/dbraw/zinc/17/31/87/173173187.db2.gz QRSNEJLCIIYTSQ-SNVBAGLBSA-N 1 2 248.330 1.055 20 0 BDADLO C[N@@H+]1CCc2ncnc(N[C@@H]3C=CCCC3)c2C1 ZINC000342206575 173175030 /nfs/dbraw/zinc/17/50/30/173175030.db2.gz GZYKFHBFHKCMFH-LLVKDONJSA-N 1 2 244.342 1.985 20 0 BDADLO C[N@H+]1CCc2ncnc(N[C@@H]3C=CCCC3)c2C1 ZINC000342206575 173175032 /nfs/dbraw/zinc/17/50/32/173175032.db2.gz GZYKFHBFHKCMFH-LLVKDONJSA-N 1 2 244.342 1.985 20 0 BDADLO CNc1ccc(Nc2nnc(C)c(C)n2)c[nH+]1 ZINC000359582433 173209606 /nfs/dbraw/zinc/20/96/06/173209606.db2.gz DVVIYZUCXCNOOU-UHFFFAOYSA-N 1 2 230.275 1.091 20 0 BDADLO CNC(=O)CCCNc1[nH+]ccc(C)c1Cl ZINC000336724694 173239846 /nfs/dbraw/zinc/23/98/46/173239846.db2.gz BGANRUJCHXYANP-UHFFFAOYSA-N 1 2 241.722 1.403 20 0 BDADLO CNC(=O)CCNc1[nH+]ccc(C)c1Cl ZINC000336750091 173262141 /nfs/dbraw/zinc/26/21/41/173262141.db2.gz DOVKGZBVEWYJIW-UHFFFAOYSA-N 1 2 227.695 1.591 20 0 BDADLO CNC(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000272220399 173269797 /nfs/dbraw/zinc/26/97/97/173269797.db2.gz DMQIYTMSOPLHPM-SECBINFHSA-N 1 2 247.298 1.567 20 0 BDADLO CNC(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000272220399 173269799 /nfs/dbraw/zinc/26/97/99/173269799.db2.gz DMQIYTMSOPLHPM-SECBINFHSA-N 1 2 247.298 1.567 20 0 BDADLO CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000336389445 173292998 /nfs/dbraw/zinc/29/29/98/173292998.db2.gz JXAZTVFNZFWLII-UHFFFAOYSA-N 1 2 231.259 1.078 20 0 BDADLO CNC(=O)[C@H](C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000270606867 173301746 /nfs/dbraw/zinc/30/17/46/173301746.db2.gz XFCGFPVIYQKQJC-SECBINFHSA-N 1 2 246.314 1.381 20 0 BDADLO CNC(=O)[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000042560774 173302333 /nfs/dbraw/zinc/30/23/33/173302333.db2.gz QBQHZLWMLZQZOF-ZETCQYMHSA-N 1 2 244.697 1.703 20 0 BDADLO CNC(=O)[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803130 173304034 /nfs/dbraw/zinc/30/40/34/173304034.db2.gz IRYZHPIQDHMRHF-LURJTMIESA-N 1 2 247.220 1.647 20 0 BDADLO CNC(=O)[C@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000309560657 173308185 /nfs/dbraw/zinc/30/81/85/173308185.db2.gz KYMZHGOQSSBDMN-VHSXEESVSA-N 1 2 219.288 1.408 20 0 BDADLO C[NH2+]Cc1noc(CC2CC(C)(C)C2)n1 ZINC000331523353 173399328 /nfs/dbraw/zinc/39/93/28/173399328.db2.gz MJSVIKFUERIENN-UHFFFAOYSA-N 1 2 209.293 1.768 20 0 BDADLO C[NH2+]Cc1noc(CC2CCCCC2)n1 ZINC000051848743 173399584 /nfs/dbraw/zinc/39/95/84/173399584.db2.gz MPPNMHXWHWJTMJ-UHFFFAOYSA-N 1 2 209.293 1.912 20 0 BDADLO C[NH2+]Cc1noc(COc2ccccc2)n1 ZINC000016944129 173399988 /nfs/dbraw/zinc/39/99/88/173399988.db2.gz RBHHORJQBLIYML-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO COC1([C@@H](C)NC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000331974060 174010076 /nfs/dbraw/zinc/01/00/76/174010076.db2.gz MDIUGUGRLGXSRR-MRVPVSSYSA-N 1 2 237.303 1.406 20 0 BDADLO COC1C[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000358476759 174035191 /nfs/dbraw/zinc/03/51/91/174035191.db2.gz YTIRYPYGWMAVDA-UHFFFAOYSA-N 1 2 244.294 1.771 20 0 BDADLO COCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000039338910 174059898 /nfs/dbraw/zinc/05/98/98/174059898.db2.gz MFLCJOWODLKESG-UHFFFAOYSA-N 1 2 231.255 1.457 20 0 BDADLO COCC1(O)C[NH+](Cc2ccc(C)s2)C1 ZINC000297396070 174113877 /nfs/dbraw/zinc/11/38/77/174113877.db2.gz KZODPSSQKAZNMH-UHFFFAOYSA-N 1 2 227.329 1.250 20 0 BDADLO COCC1=CC[N@H+](Cc2nccn2C)CC1 ZINC000187689855 174116565 /nfs/dbraw/zinc/11/65/65/174116565.db2.gz SBQNETUPBFSLQO-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO COCC1=CC[N@@H+](Cc2nccn2C)CC1 ZINC000187689855 174116567 /nfs/dbraw/zinc/11/65/67/174116567.db2.gz SBQNETUPBFSLQO-UHFFFAOYSA-N 1 2 221.304 1.199 20 0 BDADLO COCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC000185881092 174118062 /nfs/dbraw/zinc/11/80/62/174118062.db2.gz RDSKONPERVCYPG-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO COCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC000185881092 174118064 /nfs/dbraw/zinc/11/80/64/174118064.db2.gz RDSKONPERVCYPG-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO COCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283666529 174119071 /nfs/dbraw/zinc/11/90/71/174119071.db2.gz FEMLFVJIIOXXQH-NSCUHMNNSA-N 1 2 249.314 1.308 20 0 BDADLO COCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171404819 174124126 /nfs/dbraw/zinc/12/41/26/174124126.db2.gz USNYAEFMSYXECT-UHFFFAOYSA-N 1 2 237.303 1.083 20 0 BDADLO COCCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341718826 174132949 /nfs/dbraw/zinc/13/29/49/174132949.db2.gz LCRZRUHYTGQECX-LLVKDONJSA-N 1 2 237.303 1.024 20 0 BDADLO COCCC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000269592806 174150505 /nfs/dbraw/zinc/15/05/05/174150505.db2.gz YOIJKNLNKLVWGR-UHFFFAOYSA-N 1 2 237.303 1.151 20 0 BDADLO COCCCC(=O)NCc1c[nH+]ccc1OC ZINC000293388486 174165938 /nfs/dbraw/zinc/16/59/38/174165938.db2.gz OTPMWSQASYINFF-UHFFFAOYSA-N 1 2 238.287 1.133 20 0 BDADLO COCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068369605 174245020 /nfs/dbraw/zinc/24/50/20/174245020.db2.gz BVOMGQNERUEVMV-UHFFFAOYSA-N 1 2 233.271 1.101 20 0 BDADLO COCCCONC(=O)c1ccc2[nH+]ccn2c1 ZINC000288101099 174255821 /nfs/dbraw/zinc/25/58/21/174255821.db2.gz LADGDJQZYAKARB-UHFFFAOYSA-N 1 2 249.270 1.032 20 0 BDADLO COCC[NH+](CCOC)Cc1ncc(C)o1 ZINC000266501129 174296793 /nfs/dbraw/zinc/29/67/93/174296793.db2.gz AMASQTQCRLIJMA-UHFFFAOYSA-N 1 2 228.292 1.078 20 0 BDADLO COCCOCCCNc1cccc[nH+]1 ZINC000219037558 174351060 /nfs/dbraw/zinc/35/10/60/174351060.db2.gz CGVBLHJZDSDALC-UHFFFAOYSA-N 1 2 210.277 1.547 20 0 BDADLO COCC[C@@H]([NH2+]Cc1ncccn1)c1ccco1 ZINC000361748044 174393578 /nfs/dbraw/zinc/39/35/78/174393578.db2.gz GAVVEFTZNKCEJG-LLVKDONJSA-N 1 2 247.298 1.937 20 0 BDADLO COCC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)C(C)(C)C ZINC000338376069 174394260 /nfs/dbraw/zinc/39/42/60/174394260.db2.gz JHULOJJXUZRTGX-MRVPVSSYSA-N 1 2 242.323 1.051 20 0 BDADLO CO[C@H]1CCC[N@H+](CC(=O)c2cccn2C)C1 ZINC000170819722 174878721 /nfs/dbraw/zinc/87/87/21/174878721.db2.gz WCIPNXUVOLBCNG-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO CO[C@H]1CCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000170819722 174878722 /nfs/dbraw/zinc/87/87/22/174878722.db2.gz WCIPNXUVOLBCNG-NSHDSACASA-N 1 2 236.315 1.319 20 0 BDADLO COc1cc([C@H](C)[NH2+]Cc2ncnn2C)ccn1 ZINC000340524286 175015753 /nfs/dbraw/zinc/01/57/53/175015753.db2.gz HKTKUKPNTKVZSM-VIFPVBQESA-N 1 2 247.302 1.070 20 0 BDADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cnn[nH]1 ZINC000296398502 175081284 /nfs/dbraw/zinc/08/12/84/175081284.db2.gz VNRNWORGUFIIOY-JTQLQIEISA-N 1 2 246.314 1.973 20 0 BDADLO COc1ccc(CC[N@H+](C)Cc2nnc[nH]2)cc1 ZINC000177151871 175090847 /nfs/dbraw/zinc/09/08/47/175090847.db2.gz MCOAXXHBAAZTAO-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccc(CC[N@@H+](C)Cc2nnc[nH]2)cc1 ZINC000177151871 175090849 /nfs/dbraw/zinc/09/08/49/175090849.db2.gz MCOAXXHBAAZTAO-UHFFFAOYSA-N 1 2 246.314 1.488 20 0 BDADLO COc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295058892 175098073 /nfs/dbraw/zinc/09/80/73/175098073.db2.gz QEHMDCNFBHBIRA-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295058892 175098074 /nfs/dbraw/zinc/09/80/74/175098074.db2.gz QEHMDCNFBHBIRA-SNVBAGLBSA-N 1 2 234.299 1.016 20 0 BDADLO COc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1O ZINC000131949676 175100821 /nfs/dbraw/zinc/10/08/21/175100821.db2.gz RNBBNUUXJUNCEA-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1O ZINC000131949676 175100823 /nfs/dbraw/zinc/10/08/23/175100823.db2.gz RNBBNUUXJUNCEA-JTQLQIEISA-N 1 2 237.299 1.622 20 0 BDADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1O ZINC000336222875 175102309 /nfs/dbraw/zinc/10/23/09/175102309.db2.gz QHLCGKFLHJKBEI-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1O ZINC000336222875 175102311 /nfs/dbraw/zinc/10/23/11/175102311.db2.gz QHLCGKFLHJKBEI-SNVBAGLBSA-N 1 2 225.263 1.945 20 0 BDADLO COc1ccc2[nH+]c(NC[C@H](C)O)[nH]c2c1 ZINC000026474124 175202393 /nfs/dbraw/zinc/20/23/93/175202393.db2.gz QSRGWBIYCYLDHW-ZETCQYMHSA-N 1 2 221.260 1.364 20 0 BDADLO COc1ccc2c(c1)C[N@@H+](Cc1cc[nH]n1)CC2 ZINC000092507763 175211028 /nfs/dbraw/zinc/21/10/28/175211028.db2.gz WJSNXYUJFYLLCR-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1ccc2c(c1)C[N@H+](Cc1cc[nH]n1)CC2 ZINC000092507763 175211029 /nfs/dbraw/zinc/21/10/29/175211029.db2.gz WJSNXYUJFYLLCR-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1cccc(C[N@H+](C)Cc2cnnn2C)c1 ZINC000271030469 175254984 /nfs/dbraw/zinc/25/49/84/175254984.db2.gz YIQXUIZTRSDUQR-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+](C)Cc2cnnn2C)c1 ZINC000271030469 175254985 /nfs/dbraw/zinc/25/49/85/175254985.db2.gz YIQXUIZTRSDUQR-UHFFFAOYSA-N 1 2 246.314 1.456 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000282473034 175257609 /nfs/dbraw/zinc/25/76/09/175257609.db2.gz GPKVTFAFWUKRMX-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000282473034 175257610 /nfs/dbraw/zinc/25/76/10/175257610.db2.gz GPKVTFAFWUKRMX-UHFFFAOYSA-N 1 2 248.326 1.406 20 0 BDADLO COc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)n1 ZINC000271575221 175259614 /nfs/dbraw/zinc/25/96/14/175259614.db2.gz PERMAGQDAGHJDH-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc(C[N@H+]2CCc3n[nH]cc3C2)n1 ZINC000271575221 175259615 /nfs/dbraw/zinc/25/96/15/175259615.db2.gz PERMAGQDAGHJDH-UHFFFAOYSA-N 1 2 244.298 1.372 20 0 BDADLO COc1cccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000178585485 175260037 /nfs/dbraw/zinc/26/00/37/175260037.db2.gz MHNREEGHBKOYTN-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)n1 ZINC000178585485 175260039 /nfs/dbraw/zinc/26/00/39/175260039.db2.gz MHNREEGHBKOYTN-QWRGUYRKSA-N 1 2 236.315 1.699 20 0 BDADLO COc1cccc(C[NH2+]Cc2nncn2C)c1 ZINC000037988945 175266222 /nfs/dbraw/zinc/26/62/22/175266222.db2.gz FGSNTOPRUHAUCE-UHFFFAOYSA-N 1 2 232.287 1.114 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2ncnn2C)n1 ZINC000359696713 175267454 /nfs/dbraw/zinc/26/74/54/175267454.db2.gz PCLAEOJNBBSPNB-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO COc1cccc2c1[nH+]cc(C)c2N(C)CCO ZINC000302693983 175299931 /nfs/dbraw/zinc/29/99/31/175299931.db2.gz GETRQIVRXVTKGH-UHFFFAOYSA-N 1 2 246.310 1.980 20 0 BDADLO COc1ccccc1-c1noc([C@@H]([NH3+])[C@@H](C)O)n1 ZINC000035660818 175312192 /nfs/dbraw/zinc/31/21/92/175312192.db2.gz ZFVRCNYKLSWAFJ-XCBNKYQSSA-N 1 2 249.270 1.126 20 0 BDADLO COc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000022863672 175329812 /nfs/dbraw/zinc/32/98/12/175329812.db2.gz ACUIFVWKJBJSEQ-UHFFFAOYSA-N 1 2 217.272 1.708 20 0 BDADLO COc1ccccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000276674696 175330126 /nfs/dbraw/zinc/33/01/26/175330126.db2.gz KYOQKYYQIWIZSN-JTQLQIEISA-N 1 2 246.314 1.675 20 0 BDADLO COc1ccccc1[C@H](C)[NH2+]Cc1cnn[nH]1 ZINC000295623250 175352219 /nfs/dbraw/zinc/35/22/19/175352219.db2.gz AHCRWGBVIXGYJD-VIFPVBQESA-N 1 2 232.287 1.664 20 0 BDADLO COc1cc[nH+]c(CN2CCO[C@@H](C)[C@H]2C)c1 ZINC000156522811 175358658 /nfs/dbraw/zinc/35/86/58/175358658.db2.gz UKYMZRODRFSEGW-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000156522811 175358659 /nfs/dbraw/zinc/35/86/59/175358659.db2.gz UKYMZRODRFSEGW-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1ccnc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000156522811 175358660 /nfs/dbraw/zinc/35/86/60/175358660.db2.gz UKYMZRODRFSEGW-MNOVXSKESA-N 1 2 236.315 1.699 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC[C@H]1C[C@@H]1C ZINC000292869463 175369400 /nfs/dbraw/zinc/36/94/00/175369400.db2.gz BUSYGXJHVJWMAZ-VHSXEESVSA-N 1 2 249.314 1.545 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NC1CC1 ZINC000292367603 175369951 /nfs/dbraw/zinc/36/99/51/175369951.db2.gz RYECFCWXDJFTBS-UHFFFAOYSA-N 1 2 221.260 1.052 20 0 BDADLO COc1cc[nH+]cc1COc1ccc(CO)nc1 ZINC000336787393 175374009 /nfs/dbraw/zinc/37/40/09/175374009.db2.gz DVEZFDLBUQNPNH-UHFFFAOYSA-N 1 2 246.266 1.557 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC1(F)F ZINC000294404892 175374348 /nfs/dbraw/zinc/37/43/48/175374348.db2.gz DDGDSXVBIWQGCM-ZCFIWIBFSA-N 1 2 228.198 1.684 20 0 BDADLO COc1cc[nH+]cc1NC(=O)CC(C)(C)O ZINC000279596045 175375173 /nfs/dbraw/zinc/37/51/73/175375173.db2.gz RUOIEJHXLAZBFG-UHFFFAOYSA-N 1 2 224.260 1.190 20 0 BDADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CCCO1 ZINC000299484648 175375403 /nfs/dbraw/zinc/37/54/03/175375403.db2.gz LFUSEIOKUYLUNN-VIFPVBQESA-N 1 2 236.271 1.598 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000334156335 175376328 /nfs/dbraw/zinc/37/63/28/175376328.db2.gz YCKMIMKDKCYNKG-HZGVNTEJSA-N 1 2 242.225 1.930 20 0 BDADLO COc1ccsc1C[N@H+](C)CC(=O)N(C)C ZINC000271039313 175377596 /nfs/dbraw/zinc/37/75/96/175377596.db2.gz MYWQHYIFVOQOIZ-UHFFFAOYSA-N 1 2 242.344 1.277 20 0 BDADLO COc1ccsc1C[N@@H+](C)CC(=O)N(C)C ZINC000271039313 175377597 /nfs/dbraw/zinc/37/75/97/175377597.db2.gz MYWQHYIFVOQOIZ-UHFFFAOYSA-N 1 2 242.344 1.277 20 0 BDADLO COc1ncc(C[N@@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000337143194 175399217 /nfs/dbraw/zinc/39/92/17/175399217.db2.gz YCSHPIVDQHSWPU-VIFPVBQESA-N 1 2 237.303 1.014 20 0 BDADLO COc1ncc(C[N@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000337143194 175399219 /nfs/dbraw/zinc/39/92/19/175399219.db2.gz YCSHPIVDQHSWPU-VIFPVBQESA-N 1 2 237.303 1.014 20 0 BDADLO COC[C@H](C)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000668840554 487631208 /nfs/dbraw/zinc/63/12/08/487631208.db2.gz GRAGCVHXUGTYOQ-SNVBAGLBSA-N 1 2 223.320 1.440 20 0 BDADLO COC[C@H](C)C[N@H+]1CCCc2[nH]ncc2C1 ZINC000668840554 487631217 /nfs/dbraw/zinc/63/12/17/487631217.db2.gz GRAGCVHXUGTYOQ-SNVBAGLBSA-N 1 2 223.320 1.440 20 0 BDADLO C[C@@H](O)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000272480596 175995797 /nfs/dbraw/zinc/99/57/97/175995797.db2.gz OKICWYPUJHAACT-GHMZBOCLSA-N 1 2 243.310 1.837 20 0 BDADLO C[C@@H](c1ccccc1)[N@H+](C)CCS(C)(=O)=O ZINC000061801512 176021159 /nfs/dbraw/zinc/02/11/59/176021159.db2.gz WZMGXSZVBTZGGS-NSHDSACASA-N 1 2 241.356 1.724 20 0 BDADLO C[C@@H](c1ccccc1)[N@@H+](C)CCS(C)(=O)=O ZINC000061801512 176021160 /nfs/dbraw/zinc/02/11/60/176021160.db2.gz WZMGXSZVBTZGGS-NSHDSACASA-N 1 2 241.356 1.724 20 0 BDADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)NCC1CC1 ZINC000179143248 176026600 /nfs/dbraw/zinc/02/66/00/176026600.db2.gz NRSCPXIFWKJKBJ-NSHDSACASA-N 1 2 247.342 1.601 20 0 BDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)NCC1CC1 ZINC000179143248 176026602 /nfs/dbraw/zinc/02/66/02/176026602.db2.gz NRSCPXIFWKJKBJ-NSHDSACASA-N 1 2 247.342 1.601 20 0 BDADLO C[C@@H](c1nncn1C)[N@@H+]1CCc2ncccc2C1 ZINC000366327018 176040160 /nfs/dbraw/zinc/04/01/60/176040160.db2.gz LBESSAMMKJKJHI-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO C[C@@H](c1nncn1C)[N@H+]1CCc2ncccc2C1 ZINC000366327018 176040162 /nfs/dbraw/zinc/04/01/62/176040162.db2.gz LBESSAMMKJKJHI-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO C[C@@H](c1nnnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000188572699 176040492 /nfs/dbraw/zinc/04/04/92/176040492.db2.gz NHXUPZNNJZBNCJ-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO C[C@@H](c1nnnn1C)[N@H+]1CCc2ccccc2C1 ZINC000188572699 176040493 /nfs/dbraw/zinc/04/04/93/176040493.db2.gz NHXUPZNNJZBNCJ-JTQLQIEISA-N 1 2 243.314 1.329 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000172289313 176045882 /nfs/dbraw/zinc/04/58/82/176045882.db2.gz PJABYZFIMMISKB-LLVKDONJSA-N 1 2 244.338 1.496 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000172289313 176045883 /nfs/dbraw/zinc/04/58/83/176045883.db2.gz PJABYZFIMMISKB-LLVKDONJSA-N 1 2 244.338 1.496 20 0 BDADLO C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000299617291 176066222 /nfs/dbraw/zinc/06/62/22/176066222.db2.gz IHXMQVNPYZQQMG-LLVKDONJSA-N 1 2 221.304 1.674 20 0 BDADLO C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000266169482 176067457 /nfs/dbraw/zinc/06/74/57/176067457.db2.gz DYYJKKGIRVXUAB-SNVBAGLBSA-N 1 2 207.277 1.284 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336530119 176068250 /nfs/dbraw/zinc/06/82/50/176068250.db2.gz ZLRJCNRNZVWKMT-BDAKNGLRSA-N 1 2 232.274 1.385 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000074727031 176091816 /nfs/dbraw/zinc/09/18/16/176091816.db2.gz GKRFHCSNUZIGIU-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000074727031 176091818 /nfs/dbraw/zinc/09/18/18/176091818.db2.gz GKRFHCSNUZIGIU-SNVBAGLBSA-N 1 2 221.304 1.601 20 0 BDADLO C[C@@H]1CCC[C@@H]1Nc1[nH+]cnc2c1cnn2C ZINC000071208428 176132419 /nfs/dbraw/zinc/13/24/19/176132419.db2.gz VHQQGLPRKOIETH-SCZZXKLOSA-N 1 2 231.303 1.964 20 0 BDADLO C[C@@H]1CC[N@H+](CC(C)(C)O)CC1(F)F ZINC000335073536 176168144 /nfs/dbraw/zinc/16/81/44/176168144.db2.gz ONXUHVSMYNKQHY-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CC[N@@H+](CC(C)(C)O)CC1(F)F ZINC000335073536 176168145 /nfs/dbraw/zinc/16/81/45/176168145.db2.gz ONXUHVSMYNKQHY-MRVPVSSYSA-N 1 2 207.264 1.734 20 0 BDADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@@H]1CO ZINC000189714464 176182728 /nfs/dbraw/zinc/18/27/28/176182728.db2.gz DXVNDNPPYFRQAP-BXKDBHETSA-N 1 2 231.299 1.770 20 0 BDADLO C[C@@H]1CC[C@@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000120906530 176200910 /nfs/dbraw/zinc/20/09/10/176200910.db2.gz LTTDCOHRMSARJV-VXGBXAGGSA-N 1 2 235.331 1.826 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339167256 176205314 /nfs/dbraw/zinc/20/53/14/176205314.db2.gz CIGCJEKVAWZIJB-VXGBXAGGSA-N 1 2 249.358 1.905 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000332306554 176205342 /nfs/dbraw/zinc/20/53/42/176205342.db2.gz KHOGZKLDAMNKLC-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000332306554 176205343 /nfs/dbraw/zinc/20/53/43/176205343.db2.gz KHOGZKLDAMNKLC-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(N)[nH+]c2)O1 ZINC000237387399 176223153 /nfs/dbraw/zinc/22/31/53/176223153.db2.gz IBXCRIGKWOXPDO-MWLCHTKSSA-N 1 2 249.314 1.950 20 0 BDADLO C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccon2)O1 ZINC000276539481 176223807 /nfs/dbraw/zinc/22/38/07/176223807.db2.gz YWIWYRIRKTVOLI-MWLCHTKSSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccon2)O1 ZINC000276539481 176223808 /nfs/dbraw/zinc/22/38/08/176223808.db2.gz YWIWYRIRKTVOLI-MWLCHTKSSA-N 1 2 210.277 1.674 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC000357500533 176255173 /nfs/dbraw/zinc/25/51/73/176255173.db2.gz NMGPEWHPRAQRRU-GMTAPVOTSA-N 1 2 233.315 1.312 20 0 BDADLO C[C@@H]1C[N@H+](CCC(F)(F)F)CC[S@@](=O)C1 ZINC000335863505 176286096 /nfs/dbraw/zinc/28/60/96/176286096.db2.gz XMBCAXUVLOFSGS-ANRSDYALSA-N 1 2 243.294 1.639 20 0 BDADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[S@@](=O)C1 ZINC000335863505 176286097 /nfs/dbraw/zinc/28/60/97/176286097.db2.gz XMBCAXUVLOFSGS-ANRSDYALSA-N 1 2 243.294 1.639 20 0 BDADLO C[C@@H]1C[N@H+](CCSc2ccccn2)CCO1 ZINC000188211586 176292645 /nfs/dbraw/zinc/29/26/45/176292645.db2.gz LDXMCYTXCXPZCH-LLVKDONJSA-N 1 2 238.356 1.894 20 0 BDADLO C[C@@H]1C[N@@H+](CCSc2ccccn2)CCO1 ZINC000188211586 176292646 /nfs/dbraw/zinc/29/26/46/176292646.db2.gz LDXMCYTXCXPZCH-LLVKDONJSA-N 1 2 238.356 1.894 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC(=O)N1 ZINC000295114253 176301733 /nfs/dbraw/zinc/30/17/33/176301733.db2.gz WMFHOZISKZSLEW-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CC(=O)N1 ZINC000295114253 176301735 /nfs/dbraw/zinc/30/17/35/176301735.db2.gz WMFHOZISKZSLEW-SNVBAGLBSA-N 1 2 244.294 1.753 20 0 BDADLO C[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC000331809203 176302305 /nfs/dbraw/zinc/30/23/05/176302305.db2.gz DPGSOPIKVWOGEL-AOOOYVTPSA-N 1 2 246.314 1.110 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC000331809203 176302307 /nfs/dbraw/zinc/30/23/07/176302307.db2.gz DPGSOPIKVWOGEL-AOOOYVTPSA-N 1 2 246.314 1.110 20 0 BDADLO C[C@@H]1C[NH+](Cc2ccc(CO)o2)C[C@@H](C)O1 ZINC000127016884 176303277 /nfs/dbraw/zinc/30/32/77/176303277.db2.gz AFPJYZUTUIVABD-NXEZZACHSA-N 1 2 225.288 1.381 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000292933492 176317113 /nfs/dbraw/zinc/31/71/13/176317113.db2.gz HFEIPJGGNIWVMI-IWSPIJDZSA-N 1 2 239.344 1.810 20 0 BDADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000292933492 176317115 /nfs/dbraw/zinc/31/71/15/176317115.db2.gz HFEIPJGGNIWVMI-IWSPIJDZSA-N 1 2 239.344 1.810 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339572584 176317728 /nfs/dbraw/zinc/31/77/28/176317728.db2.gz XQBYUANJRNKJQJ-IWSPIJDZSA-N 1 2 221.308 1.409 20 0 BDADLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339572584 176317729 /nfs/dbraw/zinc/31/77/29/176317729.db2.gz XQBYUANJRNKJQJ-IWSPIJDZSA-N 1 2 221.308 1.409 20 0 BDADLO C[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1C ZINC000235676474 176321441 /nfs/dbraw/zinc/32/14/41/176321441.db2.gz REWACFLFBZTOJX-KNVOCYPGSA-N 1 2 226.711 1.804 20 0 BDADLO C[C@H]1CN(c2[nH+]cnc(N)c2Cl)C[C@H]1C ZINC000235676474 176321442 /nfs/dbraw/zinc/32/14/42/176321442.db2.gz REWACFLFBZTOJX-KNVOCYPGSA-N 1 2 226.711 1.804 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN1CCC[C@H]1C(F)F ZINC000353197673 176335524 /nfs/dbraw/zinc/33/55/24/176335524.db2.gz WJNVJDNYNIFLLH-MNOVXSKESA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN1CCC[C@H]1C(F)F ZINC000353197673 176335525 /nfs/dbraw/zinc/33/55/25/176335525.db2.gz WJNVJDNYNIFLLH-MNOVXSKESA-N 1 2 248.317 1.437 20 0 BDADLO C[C@@H]1COCC[N@@H+]1CCN1CCC=C(F)C1 ZINC000336573892 176335654 /nfs/dbraw/zinc/33/56/54/176335654.db2.gz PFUUIFFPMODYHV-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1COCC[N@H+]1CCN1CCC=C(F)C1 ZINC000336573892 176335655 /nfs/dbraw/zinc/33/56/55/176335655.db2.gz PFUUIFFPMODYHV-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1COCCN1CC[N@@H+]1CCC=C(F)C1 ZINC000336573892 176335657 /nfs/dbraw/zinc/33/56/57/176335657.db2.gz PFUUIFFPMODYHV-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1COCCN1CC[N@H+]1CCC=C(F)C1 ZINC000336573892 176335659 /nfs/dbraw/zinc/33/56/59/176335659.db2.gz PFUUIFFPMODYHV-LLVKDONJSA-N 1 2 228.311 1.266 20 0 BDADLO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000336677582 176352726 /nfs/dbraw/zinc/35/27/26/176352726.db2.gz HYGPTOBJKIZNGT-BDAKNGLRSA-N 1 2 231.361 1.669 20 0 BDADLO C[C@@H]1C[C@@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC000337860564 176364120 /nfs/dbraw/zinc/36/41/20/176364120.db2.gz ITZOFKUAZIKYFN-RKDXNWHRSA-N 1 2 231.303 1.598 20 0 BDADLO C[C@@H]1C[C@@H](COCc2[nH]cc[nH+]2)CCO1 ZINC000341378081 176369704 /nfs/dbraw/zinc/36/97/04/176369704.db2.gz ZKPHHXQAFGBMPA-ZJUUUORDSA-N 1 2 210.277 1.741 20 0 BDADLO C[C@@H]1C[C@@H](NCC(F)(F)CO)c2[nH+]ccn21 ZINC000293838095 176375282 /nfs/dbraw/zinc/37/52/82/176375282.db2.gz BTNMQYKZQOQICY-HTQZYQBOSA-N 1 2 231.246 1.106 20 0 BDADLO C[C@@H]1C[C@@H]1CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354989452 176390077 /nfs/dbraw/zinc/39/00/77/176390077.db2.gz ZGRCVQNLTRIEGY-ZYHUDNBSSA-N 1 2 243.310 1.997 20 0 BDADLO C[C@H](CC1CC1)NC(=O)NCCn1cc[nH+]c1 ZINC000112739278 176611786 /nfs/dbraw/zinc/61/17/86/176611786.db2.gz PUBRFTNGGWIXJC-SNVBAGLBSA-N 1 2 236.319 1.371 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295000782 177009279 /nfs/dbraw/zinc/00/92/79/177009279.db2.gz OFMYICQMCQEBBH-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295000782 177009281 /nfs/dbraw/zinc/00/92/81/177009281.db2.gz OFMYICQMCQEBBH-JGVFFNPUSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)Cc1cn(C)nn1 ZINC000336670753 177047175 /nfs/dbraw/zinc/04/71/75/177047175.db2.gz WPCIHXGMATUJCJ-SECBINFHSA-N 1 2 220.276 1.601 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cn(C)nn1 ZINC000336670753 177047177 /nfs/dbraw/zinc/04/71/77/177047177.db2.gz WPCIHXGMATUJCJ-SECBINFHSA-N 1 2 220.276 1.601 20 0 BDADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NC1CC1 ZINC000069069360 177047729 /nfs/dbraw/zinc/04/77/29/177047729.db2.gz XYFXSXCXMMRGKA-SECBINFHSA-N 1 2 222.288 1.551 20 0 BDADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NC1CC1 ZINC000069069360 177047731 /nfs/dbraw/zinc/04/77/31/177047731.db2.gz XYFXSXCXMMRGKA-SECBINFHSA-N 1 2 222.288 1.551 20 0 BDADLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573373 177050797 /nfs/dbraw/zinc/05/07/97/177050797.db2.gz RTGBTACYXJPHPJ-ZWNOBZJWSA-N 1 2 233.315 1.648 20 0 BDADLO C[C@H](c1cnccn1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362573373 177050798 /nfs/dbraw/zinc/05/07/98/177050798.db2.gz RTGBTACYXJPHPJ-ZWNOBZJWSA-N 1 2 233.315 1.648 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](O)C1 ZINC000195663691 177053251 /nfs/dbraw/zinc/05/32/51/177053251.db2.gz KSHSBIZCRJSQGL-PSASIEDQSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](O)C1 ZINC000195663691 177053253 /nfs/dbraw/zinc/05/32/53/177053253.db2.gz KSHSBIZCRJSQGL-PSASIEDQSA-N 1 2 237.303 1.465 20 0 BDADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000332685351 177063909 /nfs/dbraw/zinc/06/39/09/177063909.db2.gz ULCKTOAEFRWLGI-ZETCQYMHSA-N 1 2 210.281 1.131 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC000265922750 177092331 /nfs/dbraw/zinc/09/23/31/177092331.db2.gz MHSJNZNKQNIDEJ-NWDGAFQWSA-N 1 2 235.331 1.920 20 0 BDADLO C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC000280308987 177092364 /nfs/dbraw/zinc/09/23/64/177092364.db2.gz YFOYVVZSERQTJJ-NWDGAFQWSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CCCN1C(=O)NCc1[nH+]ccn1C ZINC000267816133 177107532 /nfs/dbraw/zinc/10/75/32/177107532.db2.gz ZWKCXCYVXWPEBE-VIFPVBQESA-N 1 2 222.292 1.114 20 0 BDADLO C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376954189 177108248 /nfs/dbraw/zinc/10/82/48/177108248.db2.gz JDTLJWSVWXDWDY-QWRGUYRKSA-N 1 2 233.315 1.456 20 0 BDADLO C[C@H]1CCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000288725801 177124796 /nfs/dbraw/zinc/12/47/96/177124796.db2.gz AQTOZQQNEXIIFA-UWVGGRQHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CCC[C@]1(C)C(=O)NCc1[nH+]ccn1C ZINC000335905047 177144346 /nfs/dbraw/zinc/14/43/46/177144346.db2.gz XXRYMBJQMZQSDV-GWCFXTLKSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1[C@@H](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284385802 177145589 /nfs/dbraw/zinc/14/55/89/177145589.db2.gz MJGZLFLAIHQTGU-FCVPOFOPSA-N 1 2 219.288 1.680 20 0 BDADLO C[C@H]1CC[N@H+](CC(=O)Nc2nncs2)[C@H]1C ZINC000248344974 177159593 /nfs/dbraw/zinc/15/95/93/177159593.db2.gz MFFMFIYQFZFELU-YUMQZZPRSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)[C@H]1C ZINC000248344974 177159595 /nfs/dbraw/zinc/15/95/95/177159595.db2.gz MFFMFIYQFZFELU-YUMQZZPRSA-N 1 2 240.332 1.207 20 0 BDADLO C[C@H]1CC[C@@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000302869898 177194534 /nfs/dbraw/zinc/19/45/34/177194534.db2.gz BBNFPNNJVIKOFW-JGVFFNPUSA-N 1 2 246.318 1.546 20 0 BDADLO C[C@H]1CC[C@@]2(CC[N@H+](Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000359552758 177196494 /nfs/dbraw/zinc/19/64/94/177196494.db2.gz GTZYTBKAZJZUMT-JOYOIKCWSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC000359552758 177196497 /nfs/dbraw/zinc/19/64/97/177196497.db2.gz GTZYTBKAZJZUMT-JOYOIKCWSA-N 1 2 236.319 1.522 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC(C)(C)O1 ZINC000276608390 177211013 /nfs/dbraw/zinc/21/10/13/177211013.db2.gz PFFBBCSUNLNZRS-YEZKRMTDSA-N 1 2 249.314 1.449 20 0 BDADLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000279730769 177215939 /nfs/dbraw/zinc/21/59/39/177215939.db2.gz CNGFEBQCXAGULF-LLVKDONJSA-N 1 2 249.358 2.000 20 0 BDADLO C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC000366207683 177223216 /nfs/dbraw/zinc/22/32/16/177223216.db2.gz SEUMFINFAJVSAH-VHSXEESVSA-N 1 2 249.314 1.077 20 0 BDADLO C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H](C)C[NH2+]1 ZINC000237533198 177225483 /nfs/dbraw/zinc/22/54/83/177225483.db2.gz IUXVSYXEOGQNOD-IUCAKERBSA-N 1 2 248.330 1.110 20 0 BDADLO C[C@@H]1[C@@H](C)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000294228102 177227131 /nfs/dbraw/zinc/22/71/31/177227131.db2.gz ROZNHRHGFLBSLR-VHSXEESVSA-N 1 2 229.283 1.815 20 0 BDADLO C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC(=O)N1 ZINC000295075836 177241373 /nfs/dbraw/zinc/24/13/73/177241373.db2.gz RKHQPNFDSGNTPH-VUDBWIFFSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC(=O)N1 ZINC000295075836 177241375 /nfs/dbraw/zinc/24/13/75/177241375.db2.gz RKHQPNFDSGNTPH-VUDBWIFFSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C[N@H+](CCOc2ccccc2)CC(=O)N1C ZINC000282136744 177253318 /nfs/dbraw/zinc/25/33/18/177253318.db2.gz KKLOVVROCJGAOC-LBPRGKRZSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@H]1C[N@@H+](CCOc2ccccc2)CC(=O)N1C ZINC000282136744 177253320 /nfs/dbraw/zinc/25/33/20/177253320.db2.gz KKLOVVROCJGAOC-LBPRGKRZSA-N 1 2 248.326 1.228 20 0 BDADLO C[C@H]1C[N@H+](CCSc2ncccn2)CCO1 ZINC000188208251 177254423 /nfs/dbraw/zinc/25/44/23/177254423.db2.gz TYSNOLBSNJTPTB-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1C[N@@H+](CCSc2ncccn2)CCO1 ZINC000188208251 177254424 /nfs/dbraw/zinc/25/44/24/177254424.db2.gz TYSNOLBSNJTPTB-JTQLQIEISA-N 1 2 239.344 1.289 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccc(F)cn2)[C@@H](C)CO1 ZINC000276364095 177262903 /nfs/dbraw/zinc/26/29/03/177262903.db2.gz MVJZHMXGLSRYTP-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccc(F)cn2)[C@@H](C)CO1 ZINC000276364095 177262905 /nfs/dbraw/zinc/26/29/05/177262905.db2.gz MVJZHMXGLSRYTP-UWVGGRQHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cncs1 ZINC000092017325 177269006 /nfs/dbraw/zinc/26/90/06/177269006.db2.gz UWGTUBQIBVQNNQ-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cncs1 ZINC000092017325 177269007 /nfs/dbraw/zinc/26/90/07/177269007.db2.gz UWGTUBQIBVQNNQ-BDAKNGLRSA-N 1 2 212.318 1.752 20 0 BDADLO C[C@H]1C[N@H+](Cc2cccc3nsnc32)CCO1 ZINC000268906501 177264865 /nfs/dbraw/zinc/26/48/65/177264865.db2.gz RRUVVERMVZSVQI-VIFPVBQESA-N 1 2 249.339 1.912 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cccc3nsnc32)CCO1 ZINC000268906501 177264868 /nfs/dbraw/zinc/26/48/68/177264868.db2.gz RRUVVERMVZSVQI-VIFPVBQESA-N 1 2 249.339 1.912 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccccn2)CC[S@](=O)C1 ZINC000277552046 177265686 /nfs/dbraw/zinc/26/56/86/177265686.db2.gz RCMHGYQPEHKOGI-ZBEGNZNMSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[S@](=O)C1 ZINC000277552046 177265689 /nfs/dbraw/zinc/26/56/89/177265689.db2.gz RCMHGYQPEHKOGI-ZBEGNZNMSA-N 1 2 238.356 1.282 20 0 BDADLO C[C@H]1C[N@H+](Cc2ncc(Cl)s2)CC[C@@H]1O ZINC000335833880 177270388 /nfs/dbraw/zinc/27/03/88/177270388.db2.gz KWOCFRLVDYQZSH-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)s2)CC[C@@H]1O ZINC000335833880 177270390 /nfs/dbraw/zinc/27/03/90/177270390.db2.gz KWOCFRLVDYQZSH-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)[C@H]1C ZINC000336331214 177271195 /nfs/dbraw/zinc/27/11/95/177271195.db2.gz PRPKQAMVQOOYOD-YUMQZZPRSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)[C@H]1C ZINC000336331214 177271196 /nfs/dbraw/zinc/27/11/96/177271196.db2.gz PRPKQAMVQOOYOD-YUMQZZPRSA-N 1 2 207.277 1.787 20 0 BDADLO C[C@H]1C[N@H+](Cc2nccn2C(F)F)C[C@@H]1CO ZINC000361656302 177271995 /nfs/dbraw/zinc/27/19/95/177271995.db2.gz SGZKNLNVLKEPHE-DTWKUNHWSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nccn2C(F)F)C[C@@H]1CO ZINC000361656302 177271997 /nfs/dbraw/zinc/27/19/97/177271997.db2.gz SGZKNLNVLKEPHE-DTWKUNHWSA-N 1 2 245.273 1.338 20 0 BDADLO C[C@H]1C[N@H+](Cc2nnnn2-c2ccccc2)[C@H]1C ZINC000293202233 177272133 /nfs/dbraw/zinc/27/21/33/177272133.db2.gz XTZFOIFKAFTQJQ-QWRGUYRKSA-N 1 2 243.314 1.503 20 0 BDADLO C[C@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)[C@H]1C ZINC000293202233 177272134 /nfs/dbraw/zinc/27/21/34/177272134.db2.gz XTZFOIFKAFTQJQ-QWRGUYRKSA-N 1 2 243.314 1.503 20 0 BDADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccon1 ZINC000334139427 177287392 /nfs/dbraw/zinc/28/73/92/177287392.db2.gz AEDYJNGWCKAYSE-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccon1 ZINC000334139427 177287394 /nfs/dbraw/zinc/28/73/94/177287394.db2.gz AEDYJNGWCKAYSE-VIFPVBQESA-N 1 2 210.277 1.674 20 0 BDADLO C[C@H]1COCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000091814793 177291847 /nfs/dbraw/zinc/29/18/47/177291847.db2.gz HTXABEYJVYATCE-JTQLQIEISA-N 1 2 235.283 1.636 20 0 BDADLO C[C@H]1COCC[N@H+]1Cc1cccc2c1OCO2 ZINC000091814793 177291848 /nfs/dbraw/zinc/29/18/48/177291848.db2.gz HTXABEYJVYATCE-JTQLQIEISA-N 1 2 235.283 1.636 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000277855948 177296076 /nfs/dbraw/zinc/29/60/76/177296076.db2.gz RCUWTLPTWRDFGM-BQBZGAKWSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@H]1COCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000277855948 177296077 /nfs/dbraw/zinc/29/60/77/177296077.db2.gz RCUWTLPTWRDFGM-BQBZGAKWSA-N 1 2 242.710 1.549 20 0 BDADLO C[C@H]1CSCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283652930 177303802 /nfs/dbraw/zinc/30/38/02/177303802.db2.gz DDQVMAOXJPJTJP-HPOULIHZSA-N 1 2 237.328 1.387 20 0 BDADLO C[C@H]1CSCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000277038254 177304045 /nfs/dbraw/zinc/30/40/45/177304045.db2.gz KCFNTMOMFVTJBZ-SNVBAGLBSA-N 1 2 239.344 1.095 20 0 BDADLO C[C@H]1CSCC[N@@H+]1Cc1cc(=O)c(O)co1 ZINC000265676203 177305401 /nfs/dbraw/zinc/30/54/01/177305401.db2.gz YGIYYQSKWUYBCR-QMMMGPOBSA-N 1 2 241.312 1.283 20 0 BDADLO C[C@H]1CSCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC000265676203 177305404 /nfs/dbraw/zinc/30/54/04/177305404.db2.gz YGIYYQSKWUYBCR-QMMMGPOBSA-N 1 2 241.312 1.283 20 0 BDADLO C[C@@H]1C[C@H](C)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000276710421 177310335 /nfs/dbraw/zinc/31/03/35/177310335.db2.gz RDBJJPKUAVEDGF-TXEJJXNPSA-N 1 2 249.358 1.857 20 0 BDADLO C[C@H]1C[C@@H](O)CN1c1[nH+]c2ccccc2n1C ZINC000335857462 177338683 /nfs/dbraw/zinc/33/86/83/177338683.db2.gz ZHBOMOMIGHHKBB-VHSXEESVSA-N 1 2 231.299 1.533 20 0 BDADLO C[C@H]1C[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000336354571 177379562 /nfs/dbraw/zinc/37/95/62/177379562.db2.gz TXCJSUYYJXTRMP-IUCAKERBSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@H]1C[C@H](O)CN1c1[nH+]c2ccccc2n1C ZINC000335857460 177374615 /nfs/dbraw/zinc/37/46/15/177374615.db2.gz ZHBOMOMIGHHKBB-UWVGGRQHSA-N 1 2 231.299 1.533 20 0 BDADLO C[C@H]1C[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000336354571 177379560 /nfs/dbraw/zinc/37/95/60/177379560.db2.gz TXCJSUYYJXTRMP-IUCAKERBSA-N 1 2 205.248 1.610 20 0 BDADLO C[C@H]1OCC[N@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000271172048 177399272 /nfs/dbraw/zinc/39/92/72/177399272.db2.gz IBZHRMZAHMFHBK-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO C[C@H]1OCC[N@@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000271172048 177399274 /nfs/dbraw/zinc/39/92/74/177399274.db2.gz IBZHRMZAHMFHBK-NXEZZACHSA-N 1 2 209.293 1.029 20 0 BDADLO O=C(N[C@H]1CC12CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000335493959 487639393 /nfs/dbraw/zinc/63/93/93/487639393.db2.gz AQKSQRJHTVSVTA-ONGXEEELSA-N 1 2 231.299 1.114 20 0 BDADLO COCCC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493154532 224690121 /nfs/dbraw/zinc/69/01/21/224690121.db2.gz LXWPCUVUSVNOTQ-ONEGZZNKSA-N 1 2 249.314 1.308 20 0 BDADLO Cn1c[nH+]c(CCNc2ncnc3c2CCC3)c1 ZINC000313480765 487642372 /nfs/dbraw/zinc/64/23/72/487642372.db2.gz KSVNFKNELBBYIN-UHFFFAOYSA-N 1 2 243.314 1.353 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@H]2CCCCO2)c[nH+]1 ZINC000272180490 487643306 /nfs/dbraw/zinc/64/33/06/487643306.db2.gz YXNVMGYXURVJMW-GZMMTYOYSA-N 1 2 237.303 1.406 20 0 BDADLO Cn1ncc2c1nc[nH+]c2N1CCC2(CC2)C1 ZINC000672274809 487645038 /nfs/dbraw/zinc/64/50/38/487645038.db2.gz CMJZEYQDCIZCGA-UHFFFAOYSA-N 1 2 229.287 1.354 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668320864 487646064 /nfs/dbraw/zinc/64/60/64/487646064.db2.gz IYKJJXKIYPMJQV-OUAUKWLOSA-N 1 2 247.342 1.819 20 0 BDADLO C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668320864 487646066 /nfs/dbraw/zinc/64/60/66/487646066.db2.gz IYKJJXKIYPMJQV-OUAUKWLOSA-N 1 2 247.342 1.819 20 0 BDADLO O=C(/C=C/c1cccc(O)c1)NCc1[nH]cc[nH+]1 ZINC000492520148 226012065 /nfs/dbraw/zinc/01/20/65/226012065.db2.gz HYFSFDVZJBMCTQ-SNAWJCMRSA-N 1 2 243.266 1.445 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000492763295 226047371 /nfs/dbraw/zinc/04/73/71/226047371.db2.gz JCFSZBSLXUVZEC-NAGRZINJSA-N 1 2 247.298 1.107 20 0 BDADLO C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCOC1 ZINC000492767162 226048956 /nfs/dbraw/zinc/04/89/56/226048956.db2.gz NMZBQKGITLWAQP-PCAWENJQSA-N 1 2 235.287 1.108 20 0 BDADLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492773011 226050273 /nfs/dbraw/zinc/05/02/73/226050273.db2.gz UGCLDMUUNYRWED-BZDJSAGESA-N 1 2 219.288 1.537 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1(C2CC2)CC1 ZINC000492775153 226051164 /nfs/dbraw/zinc/05/11/64/226051164.db2.gz XTLLIMDQOOQNQY-ONEGZZNKSA-N 1 2 217.272 1.482 20 0 BDADLO C[C@@H]1CSC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492801140 226055143 /nfs/dbraw/zinc/05/51/43/226055143.db2.gz OBVBIDOMPXKBPS-SXAXMNFYSA-N 1 2 237.328 1.291 20 0 BDADLO Cc1cncc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492812650 226058571 /nfs/dbraw/zinc/05/85/71/226058571.db2.gz NHIKUAAEULJSPD-IHWYPQMZSA-N 1 2 242.282 1.443 20 0 BDADLO Cc1ncc(CNC(=O)C=Cc2c[nH]c[nH+]2)s1 ZINC000492812982 226059176 /nfs/dbraw/zinc/05/91/76/226059176.db2.gz OEBRYTVXEWZURB-IHWYPQMZSA-N 1 2 248.311 1.504 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCCC1 ZINC000492824088 226060822 /nfs/dbraw/zinc/06/08/22/226060822.db2.gz PGRBNIXYKOTFKQ-AATRIKPKSA-N 1 2 205.261 1.482 20 0 BDADLO CC[C@@H](SC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000557046966 322933575 /nfs/dbraw/zinc/93/35/75/322933575.db2.gz BSTRRCPCOXCFAG-HTQZYQBOSA-N 1 2 227.333 1.729 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856925 226067575 /nfs/dbraw/zinc/06/75/75/226067575.db2.gz CUANPFVBMMTHTO-PHKQTQANSA-N 1 2 219.288 1.822 20 0 BDADLO C[C@H](O)[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862406 226070228 /nfs/dbraw/zinc/07/02/28/226070228.db2.gz KTOOICLPCBQVKP-DZGUGMOBSA-N 1 2 249.314 1.185 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cncc(F)c1 ZINC000492864711 226070957 /nfs/dbraw/zinc/07/09/57/226070957.db2.gz NVLVAESSDUXWTH-OWOJBTEDSA-N 1 2 232.218 1.596 20 0 BDADLO Cn1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492895819 226078511 /nfs/dbraw/zinc/07/85/11/226078511.db2.gz IUFGYRJFSJZOLN-NSCUHMNNSA-N 1 2 230.271 1.078 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCC=CO1 ZINC000492897975 226078805 /nfs/dbraw/zinc/07/88/05/226078805.db2.gz KMKSGGVAGCHSEU-ZWNMCFTASA-N 1 2 233.271 1.232 20 0 BDADLO COCCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492901361 226080125 /nfs/dbraw/zinc/08/01/25/226080125.db2.gz OWYXKHOYXRMTFJ-GORDUTHDSA-N 1 2 235.287 1.060 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NOC1CCCC1 ZINC000493308161 226181862 /nfs/dbraw/zinc/18/18/62/226181862.db2.gz VNYJTGQMHGLHOX-AATRIKPKSA-N 1 2 221.260 1.413 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)/C=C\c1cncs1 ZINC000493335912 226189039 /nfs/dbraw/zinc/18/90/39/226189039.db2.gz OFBGQUKDKDRBJS-IHWYPQMZSA-N 1 2 248.311 1.206 20 0 BDADLO COC[C@@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC000309097115 487649011 /nfs/dbraw/zinc/64/90/11/487649011.db2.gz FHQNWENVOICYIG-MRVPVSSYSA-N 1 2 213.281 1.318 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC[C@H](CO)CC1 ZINC000493096319 226126128 /nfs/dbraw/zinc/12/61/28/226126128.db2.gz VUWBVWWKDRIBDE-KALFGTNCSA-N 1 2 249.314 1.090 20 0 BDADLO C[C@H](C[C@H]1CCCO1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493155284 226141130 /nfs/dbraw/zinc/14/11/30/226141130.db2.gz CUJSYQFFXNIITI-DJVCXFJCSA-N 1 2 249.314 1.497 20 0 BDADLO COC[C@@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493188026 226148440 /nfs/dbraw/zinc/14/84/40/226148440.db2.gz LHYHMYCFQAFQSP-SGUJLRQBSA-N 1 2 249.314 1.308 20 0 BDADLO O=C(/C=C\C1CCCC1)NC1=[NH+]CCS1 ZINC000493218400 226157317 /nfs/dbraw/zinc/15/73/17/226157317.db2.gz DRUVDZMSEZLSJA-WAYWQWQTSA-N 1 2 224.329 1.952 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000493240202 226164049 /nfs/dbraw/zinc/16/40/49/226164049.db2.gz ODGUXPIJAGKACU-NUNSBDKSSA-N 1 2 237.278 1.820 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493255620 226167506 /nfs/dbraw/zinc/16/75/06/226167506.db2.gz NRFIRPWSUSPNGN-ARJAWSKDSA-N 1 2 231.259 1.402 20 0 BDADLO Cc1nn(C)c(C)c1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493282245 226174234 /nfs/dbraw/zinc/17/42/34/226174234.db2.gz BGGJQVWKBUHSHW-SNAWJCMRSA-N 1 2 245.286 1.412 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCOC1 ZINC000493367559 226197183 /nfs/dbraw/zinc/19/71/83/226197183.db2.gz KCWGIXPQWQPHNQ-PGLGOXFNSA-N 1 2 249.314 1.356 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000493403649 226208023 /nfs/dbraw/zinc/20/80/23/226208023.db2.gz QQBRGNPQWZZXHT-BXXZLRJFSA-N 1 2 231.299 1.728 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@H](C2CC2)C1 ZINC000493420694 226211850 /nfs/dbraw/zinc/21/18/50/226211850.db2.gz OBIUBLBHCMSGAJ-PCAWENJQSA-N 1 2 247.298 1.060 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000493486103 226229020 /nfs/dbraw/zinc/22/90/20/226229020.db2.gz DXYFBYOQUAZWKH-PDHKFVRPSA-N 1 2 247.298 1.107 20 0 BDADLO C[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C(F)(F)F ZINC000493707225 226250308 /nfs/dbraw/zinc/25/03/08/226250308.db2.gz ODJMBTFLUXMEBL-TYWZFMJISA-N 1 2 247.220 1.738 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N[C@H](CO)C1CCCC1 ZINC000493718752 226250886 /nfs/dbraw/zinc/25/08/86/226250886.db2.gz OHPJSYIHPHLPIO-MVIFTORASA-N 1 2 249.314 1.090 20 0 BDADLO CON(C(=O)/C=C\c1[nH]cc[nH+]1)C1CCCC1 ZINC000493727803 226251521 /nfs/dbraw/zinc/25/15/21/226251521.db2.gz SLWBLHLKMLUJLE-SREVYHEPSA-N 1 2 235.287 1.756 20 0 BDADLO C[C@H](O)[C@@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493798192 226254589 /nfs/dbraw/zinc/25/45/89/226254589.db2.gz WENNLUUIKSFECT-OBOPVNRVSA-N 1 2 249.314 1.185 20 0 BDADLO Cn1ccc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000493815646 226255407 /nfs/dbraw/zinc/25/54/07/226255407.db2.gz FVFQJLLLMLOIKH-NSCUHMNNSA-N 1 2 244.298 1.120 20 0 BDADLO C[C@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCCO1 ZINC000493843147 226256852 /nfs/dbraw/zinc/25/68/52/226256852.db2.gz JCLKLLZEGRGRSH-AAOUONPWSA-N 1 2 235.287 1.108 20 0 BDADLO COC[C@]1(C)CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493866618 226258222 /nfs/dbraw/zinc/25/82/22/226258222.db2.gz BJLWYYYSHLQCDR-ITDFMYJTSA-N 1 2 249.314 1.308 20 0 BDADLO C[C@H]1CC[N@H+](CCCCO)CC1(F)F ZINC000494231505 226262561 /nfs/dbraw/zinc/26/25/61/226262561.db2.gz SFFFVNWIOHHARS-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO C[C@H]1CC[N@@H+](CCCCO)CC1(F)F ZINC000494231505 226262562 /nfs/dbraw/zinc/26/25/62/226262562.db2.gz SFFFVNWIOHHARS-VIFPVBQESA-N 1 2 207.264 1.736 20 0 BDADLO OCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000494895874 226270915 /nfs/dbraw/zinc/27/09/15/226270915.db2.gz ULHPQWSMEUEMNC-LLVKDONJSA-N 1 2 238.335 1.398 20 0 BDADLO Cn1c[nH+]cc1Cc1noc(-c2cocn2)n1 ZINC000680805235 487649366 /nfs/dbraw/zinc/64/93/66/487649366.db2.gz BOBNOUIPJCVROR-UHFFFAOYSA-N 1 2 231.215 1.049 20 0 BDADLO Cc1cc(C)c(NC(=O)Cn2cc[nH+]c2)cc1O ZINC000680826110 487653040 /nfs/dbraw/zinc/65/30/40/487653040.db2.gz VMRUZGBGKJXBCW-UHFFFAOYSA-N 1 2 245.282 1.844 20 0 BDADLO O=C(Cn1cc[nH+]c1)Nc1ncc(Cl)s1 ZINC000674930025 487656653 /nfs/dbraw/zinc/65/66/53/487656653.db2.gz YGZPGRVMLGGKPG-UHFFFAOYSA-N 1 2 242.691 1.632 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@H+](CC(F)F)C[C@H]2C1 ZINC000306849077 487657217 /nfs/dbraw/zinc/65/72/17/487657217.db2.gz MRRQRUZMVTVCQB-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO O[C@@H]1CC[C@@H]2C[N@@H+](CC(F)F)C[C@H]2C1 ZINC000306849077 487657221 /nfs/dbraw/zinc/65/72/21/487657221.db2.gz MRRQRUZMVTVCQB-IWSPIJDZSA-N 1 2 205.248 1.344 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1CCC[C@H]1CCO1 ZINC000895431881 583671065 /nfs/dbraw/zinc/67/10/65/583671065.db2.gz RPWQNHAZJRRXOI-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1CCC[C@H]1CCO1 ZINC000895431881 583671067 /nfs/dbraw/zinc/67/10/67/583671067.db2.gz RPWQNHAZJRRXOI-IUCAKERBSA-N 1 2 205.248 1.895 20 0 BDADLO CC[N@@H+]1CCN(C[C@H](O)C(C)C)C[C@@H]1C ZINC000087538711 487666860 /nfs/dbraw/zinc/66/68/60/487666860.db2.gz SLBHAEBFNUIHLB-RYUDHWBXSA-N 1 2 214.353 1.029 20 0 BDADLO CC[N@H+]1CCN(C[C@H](O)C(C)C)C[C@@H]1C ZINC000087538711 487666867 /nfs/dbraw/zinc/66/68/67/487666867.db2.gz SLBHAEBFNUIHLB-RYUDHWBXSA-N 1 2 214.353 1.029 20 0 BDADLO CC[C@@H](C)N(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000675112238 487670489 /nfs/dbraw/zinc/67/04/89/487670489.db2.gz CIIFCXMYMADOEA-SNVBAGLBSA-N 1 2 231.303 1.897 20 0 BDADLO COCCCCC[N@H+](C)Cc1nnc[nH]1 ZINC000174806605 229394873 /nfs/dbraw/zinc/39/48/73/229394873.db2.gz JSAWLTNNYVIEMV-UHFFFAOYSA-N 1 2 212.297 1.053 20 0 BDADLO COCCCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000174806605 229394876 /nfs/dbraw/zinc/39/48/76/229394876.db2.gz JSAWLTNNYVIEMV-UHFFFAOYSA-N 1 2 212.297 1.053 20 0 BDADLO CN(Cc1nn(C)cc1Cl)Cc1[nH]cc[nH+]1 ZINC000660142202 487685496 /nfs/dbraw/zinc/68/54/96/487685496.db2.gz QSOGOVKXZMTXTM-UHFFFAOYSA-N 1 2 239.710 1.429 20 0 BDADLO COc1ncccc1C[NH2+]Cc1ccon1 ZINC000088053657 487696632 /nfs/dbraw/zinc/69/66/32/487696632.db2.gz YGTUGWIXMUJBFS-UHFFFAOYSA-N 1 2 219.244 1.368 20 0 BDADLO C[C@H](c1ccncc1)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000669700739 487696876 /nfs/dbraw/zinc/69/68/76/487696876.db2.gz BBANSZFBESQNLM-WDEREUQCSA-N 1 2 233.315 1.305 20 0 BDADLO C[C@H](c1ccncc1)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000669700739 487696883 /nfs/dbraw/zinc/69/68/83/487696883.db2.gz BBANSZFBESQNLM-WDEREUQCSA-N 1 2 233.315 1.305 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1ccc(O)c(F)c1 ZINC000681042243 487704215 /nfs/dbraw/zinc/70/42/15/487704215.db2.gz LFOIGFJUEBHSMK-UHFFFAOYSA-N 1 2 249.245 1.195 20 0 BDADLO CC1(CNc2ccc(-n3cncn3)c[nH+]2)COC1 ZINC000671718944 487705622 /nfs/dbraw/zinc/70/56/22/487705622.db2.gz DCEHPBBSCZMSCS-UHFFFAOYSA-N 1 2 245.286 1.111 20 0 BDADLO C[NH+](C)C1(CNc2cc[nH+]c(C(=O)[O-])c2)CCC1 ZINC000097933793 487706291 /nfs/dbraw/zinc/70/62/91/487706291.db2.gz LFDWBLPLDUDWSQ-UHFFFAOYSA-N 1 2 249.314 1.676 20 0 BDADLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)cs1 ZINC000671725413 487707074 /nfs/dbraw/zinc/70/70/74/487707074.db2.gz UUGYBZNEVWDBJA-UHFFFAOYSA-N 1 2 247.323 1.950 20 0 BDADLO c1csc(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000678129826 487715868 /nfs/dbraw/zinc/71/58/68/487715868.db2.gz AAXVLGKUCGQOQT-UHFFFAOYSA-N 1 2 249.343 1.188 20 0 BDADLO c1n[nH]cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000678133520 487719437 /nfs/dbraw/zinc/71/94/37/487719437.db2.gz DTORLBCIWSPQSC-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO c1n[nH]cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000678133520 487719440 /nfs/dbraw/zinc/71/94/40/487719440.db2.gz DTORLBCIWSPQSC-CQSZACIVSA-N 1 2 243.310 1.983 20 0 BDADLO Cc1nc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(N)[nH+]1 ZINC000631205573 487719812 /nfs/dbraw/zinc/71/98/12/487719812.db2.gz CHWMBPSKLWGYDK-ZJUUUORDSA-N 1 2 249.318 1.132 20 0 BDADLO Cc1nc(N)nc(N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000631205573 487719818 /nfs/dbraw/zinc/71/98/18/487719818.db2.gz CHWMBPSKLWGYDK-ZJUUUORDSA-N 1 2 249.318 1.132 20 0 BDADLO CO[C@@H](C(=O)Nc1cc[nH+]cc1C)C1CCCC1 ZINC000668419937 487722218 /nfs/dbraw/zinc/72/22/18/487722218.db2.gz QILODAKTLCSANR-CYBMUJFWSA-N 1 2 248.326 1.956 20 0 BDADLO C[C@@H]1C(=O)NCC[N@H+]1CCCOC(C)(C)C ZINC000674908000 487724073 /nfs/dbraw/zinc/72/40/73/487724073.db2.gz ZCHIAHCYOFJIAW-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@@H]1C(=O)NCC[N@@H+]1CCCOC(C)(C)C ZINC000674908000 487724080 /nfs/dbraw/zinc/72/40/80/487724080.db2.gz ZCHIAHCYOFJIAW-SNVBAGLBSA-N 1 2 228.336 1.012 20 0 BDADLO C[C@H]1C(=O)NCC[N@H+]1CCCOC(C)(C)C ZINC000674907997 487724179 /nfs/dbraw/zinc/72/41/79/487724179.db2.gz ZCHIAHCYOFJIAW-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO C[C@H]1C(=O)NCC[N@@H+]1CCCOC(C)(C)C ZINC000674907997 487724182 /nfs/dbraw/zinc/72/41/82/487724182.db2.gz ZCHIAHCYOFJIAW-JTQLQIEISA-N 1 2 228.336 1.012 20 0 BDADLO Cc1cnn(C)c1CN(C)Cc1c[nH+]c[nH]1 ZINC000668422124 487726009 /nfs/dbraw/zinc/72/60/09/487726009.db2.gz QXKCFRFQVWEDLY-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO Cc1cnn(C)c1CN(C)Cc1c[nH]c[nH+]1 ZINC000668422124 487726017 /nfs/dbraw/zinc/72/60/17/487726017.db2.gz QXKCFRFQVWEDLY-UHFFFAOYSA-N 1 2 219.292 1.084 20 0 BDADLO C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Cn1cc[nH+]c1 ZINC000681121383 487733949 /nfs/dbraw/zinc/73/39/49/487733949.db2.gz QYRFYVORAHAEHS-DCAQKATOSA-N 1 2 221.304 1.291 20 0 BDADLO CCCN(C)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000665695956 487733702 /nfs/dbraw/zinc/73/37/02/487733702.db2.gz VECWZYQPGNYPQA-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CCCN(C)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000665695956 487733706 /nfs/dbraw/zinc/73/37/06/487733706.db2.gz VECWZYQPGNYPQA-SECBINFHSA-N 1 2 224.308 1.116 20 0 BDADLO CN(c1nc[nH+]c2c1OCCN2)C1CCC1 ZINC000665703338 487734861 /nfs/dbraw/zinc/73/48/61/487734861.db2.gz WWDOQJUPKRTHLD-UHFFFAOYSA-N 1 2 220.276 1.270 20 0 BDADLO CN(c1[nH+]cnc2c1OCCN2)C1CCC1 ZINC000665703338 487734865 /nfs/dbraw/zinc/73/48/65/487734865.db2.gz WWDOQJUPKRTHLD-UHFFFAOYSA-N 1 2 220.276 1.270 20 0 BDADLO CC(C)=CCCNc1[nH+]cnc2c1OCCN2 ZINC000665714182 487738224 /nfs/dbraw/zinc/73/82/24/487738224.db2.gz DNRAIVVNDYURQJ-UHFFFAOYSA-N 1 2 234.303 1.162 20 0 BDADLO CC(C)=CCCNc1nc[nH+]c2c1OCCN2 ZINC000665714182 487738228 /nfs/dbraw/zinc/73/82/28/487738228.db2.gz DNRAIVVNDYURQJ-UHFFFAOYSA-N 1 2 234.303 1.162 20 0 BDADLO c1nc(NCC2=CCCOC2)c2c([nH+]1)NCCO2 ZINC000665719986 487738743 /nfs/dbraw/zinc/73/87/43/487738743.db2.gz ZGGXYVNKGSMUHO-UHFFFAOYSA-N 1 2 248.286 1.040 20 0 BDADLO c1nc2c(c(NCC3=CCCOC3)[nH+]1)OCCN2 ZINC000665719986 487738748 /nfs/dbraw/zinc/73/87/48/487738748.db2.gz ZGGXYVNKGSMUHO-UHFFFAOYSA-N 1 2 248.286 1.040 20 0 BDADLO C[C@@H]1C[C@@H](O)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000665722717 487739729 /nfs/dbraw/zinc/73/97/29/487739729.db2.gz IVNKYDZHHANIHC-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO C[C@@H]1C[C@@H](O)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000665722717 487739732 /nfs/dbraw/zinc/73/97/32/487739732.db2.gz IVNKYDZHHANIHC-MWLCHTKSSA-N 1 2 248.330 1.258 20 0 BDADLO F[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665716707 487739240 /nfs/dbraw/zinc/73/92/40/487739240.db2.gz QOUQPMRUWAGFTH-QMMMGPOBSA-N 1 2 238.266 1.219 20 0 BDADLO F[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665716707 487739245 /nfs/dbraw/zinc/73/92/45/487739245.db2.gz QOUQPMRUWAGFTH-QMMMGPOBSA-N 1 2 238.266 1.219 20 0 BDADLO CCc1cc(NC(=O)N(C)Cc2c[nH+]c[nH]2)no1 ZINC000666148212 487740997 /nfs/dbraw/zinc/74/09/97/487740997.db2.gz AYJIYBFFRUUTIV-UHFFFAOYSA-N 1 2 249.274 1.624 20 0 BDADLO CCc1cc(NC(=O)N(C)Cc2c[nH]c[nH+]2)no1 ZINC000666148212 487741003 /nfs/dbraw/zinc/74/10/03/487741003.db2.gz AYJIYBFFRUUTIV-UHFFFAOYSA-N 1 2 249.274 1.624 20 0 BDADLO C[C@H]1CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675584424 487751304 /nfs/dbraw/zinc/75/13/04/487751304.db2.gz OUYVTFMNLBMOLT-JTQLQIEISA-N 1 2 244.298 1.638 20 0 BDADLO CN(C)c1ccc(CNC(=O)CCCF)c[nH+]1 ZINC000666248564 487769604 /nfs/dbraw/zinc/76/96/04/487769604.db2.gz BWYGUXOCUKYPHM-UHFFFAOYSA-N 1 2 239.294 1.514 20 0 BDADLO CC(C)[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)O ZINC000357758551 487772580 /nfs/dbraw/zinc/77/25/80/487772580.db2.gz RLEXQTMPQZYMFA-GFCCVEGCSA-N 1 2 249.358 1.983 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464267 487788359 /nfs/dbraw/zinc/78/83/59/487788359.db2.gz WOVKENFGCFMLKY-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464267 487788366 /nfs/dbraw/zinc/78/83/66/487788366.db2.gz WOVKENFGCFMLKY-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464267 487788373 /nfs/dbraw/zinc/78/83/73/487788373.db2.gz WOVKENFGCFMLKY-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668464267 487788378 /nfs/dbraw/zinc/78/83/78/487788378.db2.gz WOVKENFGCFMLKY-ZDUSSCGKSA-N 1 2 235.331 1.719 20 0 BDADLO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226978 487789505 /nfs/dbraw/zinc/78/95/05/487789505.db2.gz WHFJORGZBWSCKY-GHMZBOCLSA-N 1 2 244.354 1.971 20 0 BDADLO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679226978 487789509 /nfs/dbraw/zinc/78/95/09/487789509.db2.gz WHFJORGZBWSCKY-GHMZBOCLSA-N 1 2 244.354 1.971 20 0 BDADLO CC1(C)CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000666352876 487792171 /nfs/dbraw/zinc/79/21/71/487792171.db2.gz HINGMSBMICLWLO-SNVBAGLBSA-N 1 2 221.304 1.436 20 0 BDADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000684208757 487793238 /nfs/dbraw/zinc/79/32/38/487793238.db2.gz RETRUILTVFVUDW-HTQZYQBOSA-N 1 2 247.302 1.052 20 0 BDADLO COCCC1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000668471958 487795912 /nfs/dbraw/zinc/79/59/12/487795912.db2.gz QXVDZRCQCYWWTC-UHFFFAOYSA-N 1 2 249.358 1.688 20 0 BDADLO COCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC000681471897 487800752 /nfs/dbraw/zinc/80/07/52/487800752.db2.gz MOJSNZJISBSZHM-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO COCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC000681471897 487800754 /nfs/dbraw/zinc/80/07/54/487800754.db2.gz MOJSNZJISBSZHM-SECBINFHSA-N 1 2 237.303 1.718 20 0 BDADLO C[C@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000251839030 487801464 /nfs/dbraw/zinc/80/14/64/487801464.db2.gz QHELZYSZQMFVRR-JOYOIKCWSA-N 1 2 249.314 1.166 20 0 BDADLO Cc1ccc(O)c(C[NH2+][C@@H](C)C(F)F)n1 ZINC000389969287 487802044 /nfs/dbraw/zinc/80/20/44/487802044.db2.gz RLBHJMYGGGNTFI-ZETCQYMHSA-N 1 2 216.231 1.839 20 0 BDADLO CCc1nnc(C[N@H+](C)CCOC(C)(C)C)o1 ZINC000676042721 487804506 /nfs/dbraw/zinc/80/45/06/487804506.db2.gz DIVYSHSDYJHAHE-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO CCc1nnc(C[N@@H+](C)CCOC(C)(C)C)o1 ZINC000676042721 487804510 /nfs/dbraw/zinc/80/45/10/487804510.db2.gz DIVYSHSDYJHAHE-UHFFFAOYSA-N 1 2 241.335 1.879 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncccc1F ZINC000666449920 487811115 /nfs/dbraw/zinc/81/11/15/487811115.db2.gz JYCDYRKUFHRWHJ-VIFPVBQESA-N 1 2 248.261 1.236 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875308 487811456 /nfs/dbraw/zinc/81/14/56/487811456.db2.gz PIJZUIICQAXJRL-SECBINFHSA-N 1 2 221.304 1.287 20 0 BDADLO CC(C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875308 487811464 /nfs/dbraw/zinc/81/14/64/487811464.db2.gz PIJZUIICQAXJRL-SECBINFHSA-N 1 2 221.304 1.287 20 0 BDADLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676119355 487815713 /nfs/dbraw/zinc/81/57/13/487815713.db2.gz VKAAYOJOULFFFX-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676119355 487815715 /nfs/dbraw/zinc/81/57/15/487815715.db2.gz VKAAYOJOULFFFX-LLVKDONJSA-N 1 2 237.303 1.036 20 0 BDADLO Cn1ccnc1[C@@H](N[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000681563187 487816305 /nfs/dbraw/zinc/81/63/05/487816305.db2.gz NORIXSDTAVSIOR-OLZOCXBDSA-N 1 2 248.374 1.555 20 0 BDADLO Cn1ccnc1[C@@H](N[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000681563187 487816310 /nfs/dbraw/zinc/81/63/10/487816310.db2.gz NORIXSDTAVSIOR-OLZOCXBDSA-N 1 2 248.374 1.555 20 0 BDADLO C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681583666 487818606 /nfs/dbraw/zinc/81/86/06/487818606.db2.gz GLIAZMGEYOBRFI-MNOVXSKESA-N 1 2 233.315 1.314 20 0 BDADLO CCCC(C)(C)C(=O)NCCc1c[nH+]cn1C ZINC000651702014 487819096 /nfs/dbraw/zinc/81/90/96/487819096.db2.gz HUZQEEACEDPERS-UHFFFAOYSA-N 1 2 237.347 1.905 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1[C@@H](C)O ZINC000666493654 487820378 /nfs/dbraw/zinc/82/03/78/487820378.db2.gz LLJRRGGSLKWQBJ-ZYHUDNBSSA-N 1 2 249.314 1.189 20 0 BDADLO CC1(F)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000684325963 487824986 /nfs/dbraw/zinc/82/49/86/487824986.db2.gz ZMYWTNQHJDBMRC-VIFPVBQESA-N 1 2 237.278 1.016 20 0 BDADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)co1 ZINC000647964089 487827837 /nfs/dbraw/zinc/82/78/37/487827837.db2.gz QXEWDHJXCJQMLE-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Cc1nc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)co1 ZINC000647964089 487827842 /nfs/dbraw/zinc/82/78/42/487827842.db2.gz QXEWDHJXCJQMLE-GFCCVEGCSA-N 1 2 249.314 1.226 20 0 BDADLO Clc1cnc(NCCn2cc[nH+]c2)nc1 ZINC000093536534 487830349 /nfs/dbraw/zinc/83/03/49/487830349.db2.gz COFBKDKVTZUEQN-UHFFFAOYSA-N 1 2 223.667 1.439 20 0 BDADLO C/C=C(/CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819784112 586994525 /nfs/dbraw/zinc/99/45/25/586994525.db2.gz XPYWJYJTHYFNOR-UDGZVJEDSA-N 1 2 212.318 1.950 20 0 BDADLO Cl/C=C\C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829287556 587491480 /nfs/dbraw/zinc/49/14/80/587491480.db2.gz VLQADHRZSOTIRY-OODOAVRDSA-N 1 2 233.764 1.947 20 0 BDADLO CC1C[NH+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000668093210 487836231 /nfs/dbraw/zinc/83/62/31/487836231.db2.gz DNGCSJBUIRKOQZ-UHFFFAOYSA-N 1 2 233.237 1.891 20 0 BDADLO CCONC(=O)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000846090507 588256182 /nfs/dbraw/zinc/25/61/82/588256182.db2.gz BNXVCFHNEOKTKL-JTQLQIEISA-N 1 2 230.352 1.859 20 0 BDADLO CCCn1nccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000668112255 487841498 /nfs/dbraw/zinc/84/14/98/487841498.db2.gz KGQNGAVEENJFLL-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO CCCn1nccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000668112255 487841505 /nfs/dbraw/zinc/84/15/05/487841505.db2.gz KGQNGAVEENJFLL-GFCCVEGCSA-N 1 2 241.310 1.199 20 0 BDADLO C[C@@H]1C[NH+](Cc2cnon2)C[C@@H](C)S1 ZINC000851786729 588628959 /nfs/dbraw/zinc/62/89/59/588628959.db2.gz CIJMZQXLWXKDON-HTQZYQBOSA-N 1 2 213.306 1.395 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@@](O)(CC)C2)s1 ZINC000681710068 487846567 /nfs/dbraw/zinc/84/65/67/487846567.db2.gz SFGHJQIHSCOVMT-NSHDSACASA-N 1 2 241.360 1.447 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@@](O)(CC)C2)s1 ZINC000681710068 487846571 /nfs/dbraw/zinc/84/65/71/487846571.db2.gz SFGHJQIHSCOVMT-NSHDSACASA-N 1 2 241.360 1.447 20 0 BDADLO Cc1noc(C(C)(C)[NH2+]Cc2cn[nH]c2)n1 ZINC000309913069 487847294 /nfs/dbraw/zinc/84/72/94/487847294.db2.gz NWOPVKIEZRYJOS-UHFFFAOYSA-N 1 2 221.264 1.126 20 0 BDADLO CN(CCC(F)(F)F)C(=O)Cc1c[nH+]cn1C ZINC000558461181 322950706 /nfs/dbraw/zinc/95/07/06/322950706.db2.gz FODUPWWZVGHAME-UHFFFAOYSA-N 1 2 249.236 1.373 20 0 BDADLO CCc1cnccc1CNC(=O)Cn1cc[nH+]c1 ZINC000558481116 322950897 /nfs/dbraw/zinc/95/08/97/322950897.db2.gz XGPDDDQBTFSHCQ-UHFFFAOYSA-N 1 2 244.298 1.157 20 0 BDADLO O=C(Cc1cccs1)N1CC(n2cc[nH+]c2)C1 ZINC000558747878 322954759 /nfs/dbraw/zinc/95/47/59/322954759.db2.gz JETUIIRPKBRDJX-UHFFFAOYSA-N 1 2 247.323 1.571 20 0 BDADLO COCc1nnc(C[NH2+][C@H]2CC=C(C)CC2)[nH]1 ZINC000668506521 487862399 /nfs/dbraw/zinc/86/23/99/487862399.db2.gz CCKHYJOWIHLZPM-JTQLQIEISA-N 1 2 236.319 1.540 20 0 BDADLO Cc1c(-c2c[nH+]c(N)c(C)c2)cnn1C ZINC000129759290 487877214 /nfs/dbraw/zinc/87/72/14/487877214.db2.gz DLRTYEHWGCWTAK-UHFFFAOYSA-N 1 2 202.261 1.681 20 0 BDADLO CCn1cnnc1C[NH2+][C@H](C)c1ccoc1 ZINC000222035750 322976500 /nfs/dbraw/zinc/97/65/00/322976500.db2.gz XXAQKVQWKAMOMX-SECBINFHSA-N 1 2 220.276 1.742 20 0 BDADLO C[N@H+](CCOC(C)(C)C)Cc1nccc(N)n1 ZINC000676716041 487892561 /nfs/dbraw/zinc/89/25/61/487892561.db2.gz YMARNOCAUMTDBG-UHFFFAOYSA-N 1 2 238.335 1.306 20 0 BDADLO C[N@@H+](CCOC(C)(C)C)Cc1nccc(N)n1 ZINC000676716041 487892564 /nfs/dbraw/zinc/89/25/64/487892564.db2.gz YMARNOCAUMTDBG-UHFFFAOYSA-N 1 2 238.335 1.306 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)[C@H]1C ZINC000416328273 487896808 /nfs/dbraw/zinc/89/68/08/487896808.db2.gz ZSZUBUQDTIVQJD-VWYCJHECSA-N 1 2 235.331 1.845 20 0 BDADLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)[C@H]1C ZINC000416328273 487896813 /nfs/dbraw/zinc/89/68/13/487896813.db2.gz ZSZUBUQDTIVQJD-VWYCJHECSA-N 1 2 235.331 1.845 20 0 BDADLO CCO[C@@H]1CCC[N@H+](Cc2nccc(N)n2)C1 ZINC000676715501 487904201 /nfs/dbraw/zinc/90/42/01/487904201.db2.gz NMUJZWNTJRMKCF-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO CCO[C@@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000676715501 487904205 /nfs/dbraw/zinc/90/42/05/487904205.db2.gz NMUJZWNTJRMKCF-SNVBAGLBSA-N 1 2 236.319 1.060 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccno2)[C@H](C)[C@@H](C)O1 ZINC000682091064 487908127 /nfs/dbraw/zinc/90/81/27/487908127.db2.gz FFSISNNCAZHXHS-OPRDCNLKSA-N 1 2 210.277 1.672 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccno2)[C@H](C)[C@@H](C)O1 ZINC000682091064 487908128 /nfs/dbraw/zinc/90/81/28/487908128.db2.gz FFSISNNCAZHXHS-OPRDCNLKSA-N 1 2 210.277 1.672 20 0 BDADLO COC(=O)C[N@H+](Cc1c[nH]nc1C)C(C)C ZINC000093287443 487909894 /nfs/dbraw/zinc/90/98/94/487909894.db2.gz DYTQKEJAFAUDSU-UHFFFAOYSA-N 1 2 225.292 1.102 20 0 BDADLO COC(=O)C[N@@H+](Cc1c[nH]nc1C)C(C)C ZINC000093287443 487909900 /nfs/dbraw/zinc/90/99/00/487909900.db2.gz DYTQKEJAFAUDSU-UHFFFAOYSA-N 1 2 225.292 1.102 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669043229 487913275 /nfs/dbraw/zinc/91/32/75/487913275.db2.gz UOMXWJZEZOYPAB-GHMZBOCLSA-N 1 2 249.358 1.923 20 0 BDADLO CC(C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669043229 487913279 /nfs/dbraw/zinc/91/32/79/487913279.db2.gz UOMXWJZEZOYPAB-GHMZBOCLSA-N 1 2 249.358 1.923 20 0 BDADLO C[C@H]1CCCC[N@@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653488697 487915330 /nfs/dbraw/zinc/91/53/30/487915330.db2.gz IBWOKHAKAJLAES-JTQLQIEISA-N 1 2 237.351 1.803 20 0 BDADLO C[C@H]1CCCC[N@H+]1Cc1nnn(C(C)(C)C)n1 ZINC000653488697 487915335 /nfs/dbraw/zinc/91/53/35/487915335.db2.gz IBWOKHAKAJLAES-JTQLQIEISA-N 1 2 237.351 1.803 20 0 BDADLO CCC[C@@H](O)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000676749953 487916266 /nfs/dbraw/zinc/91/62/66/487916266.db2.gz IBPGGMABGGQFMD-LLVKDONJSA-N 1 2 247.298 1.824 20 0 BDADLO COC[C@H](C)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682156955 487918043 /nfs/dbraw/zinc/91/80/43/487918043.db2.gz OSVXPRJPMCPUDW-BDAKNGLRSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@H](C)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682156955 487918045 /nfs/dbraw/zinc/91/80/45/487918045.db2.gz OSVXPRJPMCPUDW-BDAKNGLRSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@H](C)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682156964 487918063 /nfs/dbraw/zinc/91/80/63/487918063.db2.gz OSVXPRJPMCPUDW-RKDXNWHRSA-N 1 2 241.253 1.532 20 0 BDADLO COC[C@H](C)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682156964 487918066 /nfs/dbraw/zinc/91/80/66/487918066.db2.gz OSVXPRJPMCPUDW-RKDXNWHRSA-N 1 2 241.253 1.532 20 0 BDADLO COc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000676796985 487933499 /nfs/dbraw/zinc/93/34/99/487933499.db2.gz GEQBTCGFSKDYRW-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000676796985 487933502 /nfs/dbraw/zinc/93/35/02/487933502.db2.gz GEQBTCGFSKDYRW-UHFFFAOYSA-N 1 2 243.310 1.977 20 0 BDADLO COc1cc(C)[nH+]c(Cn2cccnc2=O)c1 ZINC000158074392 487938137 /nfs/dbraw/zinc/93/81/37/487938137.db2.gz WFGDBPYPZWGCJF-UHFFFAOYSA-N 1 2 231.255 1.004 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667094207 487938488 /nfs/dbraw/zinc/93/84/88/487938488.db2.gz RYQDLDASQUUCQK-VIFPVBQESA-N 1 2 235.331 1.677 20 0 BDADLO CC(C)(C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667094207 487938497 /nfs/dbraw/zinc/93/84/97/487938497.db2.gz RYQDLDASQUUCQK-VIFPVBQESA-N 1 2 235.331 1.677 20 0 BDADLO CC(C)CC[C@H](O)C[NH+]1CC(C)(F)C1 ZINC000684608056 487945764 /nfs/dbraw/zinc/94/57/64/487945764.db2.gz UUFBMZWBRHHGPY-JTQLQIEISA-N 1 2 203.301 1.827 20 0 BDADLO CO[C@@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000652406950 487946759 /nfs/dbraw/zinc/94/67/59/487946759.db2.gz VPUCPCXTBZPUQW-QMMMGPOBSA-N 1 2 225.292 1.104 20 0 BDADLO CCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145205 487950910 /nfs/dbraw/zinc/95/09/10/487950910.db2.gz ZXBIIVOMUISHQY-JTQLQIEISA-N 1 2 221.304 1.504 20 0 BDADLO Cc1cc(C)c(C(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000530669441 322889819 /nfs/dbraw/zinc/88/98/19/322889819.db2.gz JIAVRSGCMPOPSX-UHFFFAOYSA-N 1 2 245.282 1.790 20 0 BDADLO CO[C@@H](C)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000560328673 322985633 /nfs/dbraw/zinc/98/56/33/322985633.db2.gz KSZZFPQXZSBLAI-VIFPVBQESA-N 1 2 246.314 1.301 20 0 BDADLO C[NH2+]Cc1noc(/C=C/c2ncccc2C)n1 ZINC000560930234 322993429 /nfs/dbraw/zinc/99/34/29/322993429.db2.gz FNMCJUHJGSYQLO-AATRIKPKSA-N 1 2 230.271 1.663 20 0 BDADLO Cc1n[nH]c(C)c1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000561162425 322996393 /nfs/dbraw/zinc/99/63/93/322996393.db2.gz WHBKOBYQSJDNIO-SNVBAGLBSA-N 1 2 236.319 1.305 20 0 BDADLO CCO[C@H]1C[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000520956448 323000072 /nfs/dbraw/zinc/00/00/72/323000072.db2.gz BIZKZLKGWRKKPJ-MNOVXSKESA-N 1 2 235.331 1.920 20 0 BDADLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)ccc1O ZINC000561511597 323003262 /nfs/dbraw/zinc/00/32/62/323003262.db2.gz CHUUVGYNBMOKKU-UHFFFAOYSA-N 1 2 245.282 1.615 20 0 BDADLO C[C@H](c1ccco1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000561825761 323007627 /nfs/dbraw/zinc/00/76/27/323007627.db2.gz IKYAMLVXVQROIP-SNVBAGLBSA-N 1 2 233.271 1.696 20 0 BDADLO CCN(CC(F)F)C(=O)[C@H]([NH3+])c1cscn1 ZINC000566673616 323009747 /nfs/dbraw/zinc/00/97/47/323009747.db2.gz TXHFCKNZDVCBAF-MRVPVSSYSA-N 1 2 249.286 1.257 20 0 BDADLO Cc1cocc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000528638105 323019423 /nfs/dbraw/zinc/01/94/23/323019423.db2.gz ZMQUASBWSTZBJA-SNVBAGLBSA-N 1 2 247.298 1.851 20 0 BDADLO CCC(CC)Nc1nc[nH+]c(N)c1OC ZINC000134812087 323025737 /nfs/dbraw/zinc/02/57/37/323025737.db2.gz XKDLNYNFVFTOFO-UHFFFAOYSA-N 1 2 210.281 1.668 20 0 BDADLO CCC(CC)Nc1[nH+]cnc(N)c1OC ZINC000134812087 323025738 /nfs/dbraw/zinc/02/57/38/323025738.db2.gz XKDLNYNFVFTOFO-UHFFFAOYSA-N 1 2 210.281 1.668 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCc1ccccn1)C1CC1 ZINC000562703509 323028276 /nfs/dbraw/zinc/02/82/76/323028276.db2.gz CKJOMTUKNXBUBI-CQSZACIVSA-N 1 2 248.326 1.555 20 0 BDADLO CCc1cc(C[NH2+]Cc2ccc(CO)o2)on1 ZINC000525697448 323029979 /nfs/dbraw/zinc/02/99/79/323029979.db2.gz CGKRDFONYLGTGJ-UHFFFAOYSA-N 1 2 236.271 1.612 20 0 BDADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000569690715 323037092 /nfs/dbraw/zinc/03/70/92/323037092.db2.gz KCXMJKQLOKXLKE-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000569690715 323037093 /nfs/dbraw/zinc/03/70/93/323037093.db2.gz KCXMJKQLOKXLKE-MNOVXSKESA-N 1 2 241.331 1.581 20 0 BDADLO COC(=O)[C@](C)([NH2+]CCC1(O)CCC1)C1CC1 ZINC000569809505 323041504 /nfs/dbraw/zinc/04/15/04/323041504.db2.gz VCIOFXONICXSSI-GFCCVEGCSA-N 1 2 241.331 1.223 20 0 BDADLO CC(F)(F)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000569839092 323042327 /nfs/dbraw/zinc/04/23/27/323042327.db2.gz RLBSAKYKGYHRQM-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO CC(F)(F)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000569839092 323042328 /nfs/dbraw/zinc/04/23/28/323042328.db2.gz RLBSAKYKGYHRQM-UHFFFAOYSA-N 1 2 217.219 1.114 20 0 BDADLO Cc1ncc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cn1 ZINC000570103731 323049955 /nfs/dbraw/zinc/04/99/55/323049955.db2.gz ADBICSHXEAHXOI-SECBINFHSA-N 1 2 234.303 1.064 20 0 BDADLO CCOCc1nc([C@H](C)[NH2+]C[C@@H](O)CC)no1 ZINC000570155667 323051144 /nfs/dbraw/zinc/05/11/44/323051144.db2.gz QNIOBXAGXLOFHZ-IUCAKERBSA-N 1 2 243.307 1.028 20 0 BDADLO CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000570225140 323053055 /nfs/dbraw/zinc/05/30/55/323053055.db2.gz LFDAKWVTRIVQSE-ZJUUUORDSA-N 1 2 239.319 1.648 20 0 BDADLO CCOC(=O)c1noc(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000570259444 323054282 /nfs/dbraw/zinc/05/42/82/323054282.db2.gz BGRCRRSRZFUHED-OCAPTIKFSA-N 1 2 239.275 1.229 20 0 BDADLO CCOC(=O)c1noc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000570259444 323054283 /nfs/dbraw/zinc/05/42/83/323054283.db2.gz BGRCRRSRZFUHED-OCAPTIKFSA-N 1 2 239.275 1.229 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000570304720 323055850 /nfs/dbraw/zinc/05/58/50/323055850.db2.gz COTDXRNDMUWRIA-QWRGUYRKSA-N 1 2 237.347 1.904 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cn[nH]c2)[nH+]1 ZINC000570337871 323056987 /nfs/dbraw/zinc/05/69/87/323056987.db2.gz HFOHREIFGXQGTQ-UHFFFAOYSA-N 1 2 233.275 1.106 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(C)(F)F ZINC000570411937 323058952 /nfs/dbraw/zinc/05/89/52/323058952.db2.gz VAKFOUSHDGDZOG-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(C)(F)F ZINC000570411937 323058953 /nfs/dbraw/zinc/05/89/53/323058953.db2.gz VAKFOUSHDGDZOG-MRVPVSSYSA-N 1 2 245.273 1.750 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cncnc2)CC2(CCC2)O1 ZINC000570683931 323067011 /nfs/dbraw/zinc/06/70/11/323067011.db2.gz LRGGZLABFCTGPH-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cncnc2)CC2(CCC2)O1 ZINC000570683931 323067012 /nfs/dbraw/zinc/06/70/12/323067012.db2.gz LRGGZLABFCTGPH-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO Cc1cc(NCCO[C@H]2CCCCO2)nc[nH+]1 ZINC000570895271 323073430 /nfs/dbraw/zinc/07/34/30/323073430.db2.gz WQOSIQFDGMMAJV-LBPRGKRZSA-N 1 2 237.303 1.162 20 0 BDADLO CSCCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000562971354 323077460 /nfs/dbraw/zinc/07/74/60/323077460.db2.gz OUFDCAXZYXSRLJ-MRVPVSSYSA-N 1 2 245.373 1.012 20 0 BDADLO Cc1c[nH+]c(C)nc1NCc1cccc(CO)c1 ZINC000567752241 323080392 /nfs/dbraw/zinc/08/03/92/323080392.db2.gz CPNQZZXRZMQKOJ-UHFFFAOYSA-N 1 2 243.310 1.620 20 0 BDADLO Cc1nc(N(C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000174920390 323080611 /nfs/dbraw/zinc/08/06/11/323080611.db2.gz ZFWYGBSLPIRXDE-JTQLQIEISA-N 1 2 207.277 1.258 20 0 BDADLO C[NH2+]Cc1noc([C@@H]2NCCc3ccccc32)n1 ZINC000563118323 323093697 /nfs/dbraw/zinc/09/36/97/323093697.db2.gz APEKOIMQCJKERZ-GFCCVEGCSA-N 1 2 244.298 1.024 20 0 BDADLO CCc1cnc(C[NH2+][C@](C)(CCO)COC)o1 ZINC000531493876 323098674 /nfs/dbraw/zinc/09/86/74/323098674.db2.gz WHLNNFPBSLUWEA-GFCCVEGCSA-N 1 2 242.319 1.114 20 0 BDADLO Cc1nc(N)c(CNC(=O)[C@@]23C[C@@H]2CCC3)c[nH+]1 ZINC000563195465 323101090 /nfs/dbraw/zinc/10/10/90/323101090.db2.gz PSQIGJKRDIOHRG-GWCFXTLKSA-N 1 2 246.314 1.004 20 0 BDADLO COc1ccc[nH+]c1N1C[C@H](O)C[C@H](C)C1 ZINC000401644347 323102549 /nfs/dbraw/zinc/10/25/49/323102549.db2.gz GZEDGFPJDIIBHO-VHSXEESVSA-N 1 2 222.288 1.297 20 0 BDADLO CC(C)(NC(=O)CC1CCC1)c1[nH]cc[nH+]1 ZINC000563284797 323108334 /nfs/dbraw/zinc/10/83/34/323108334.db2.gz JIQCJAWLSAYBEU-UHFFFAOYSA-N 1 2 221.304 1.951 20 0 BDADLO Cn1nncc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000534332236 323117137 /nfs/dbraw/zinc/11/71/37/323117137.db2.gz UIDNWCALWKKBPS-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO Cn1nncc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000534332236 323117138 /nfs/dbraw/zinc/11/71/38/323117138.db2.gz UIDNWCALWKKBPS-ZDUSSCGKSA-N 1 2 243.314 1.547 20 0 BDADLO C[N@H+](Cc1csnn1)C1CCOCC1 ZINC000534345713 323117388 /nfs/dbraw/zinc/11/73/88/323117388.db2.gz SMYFCFXINPJLPV-UHFFFAOYSA-N 1 2 213.306 1.149 20 0 BDADLO C[N@@H+](Cc1csnn1)C1CCOCC1 ZINC000534345713 323117389 /nfs/dbraw/zinc/11/73/89/323117389.db2.gz SMYFCFXINPJLPV-UHFFFAOYSA-N 1 2 213.306 1.149 20 0 BDADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H]1CCC[C@H]1O ZINC000563424651 323125916 /nfs/dbraw/zinc/12/59/16/323125916.db2.gz DTBDIDRMEYVEEL-NWDGAFQWSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)c1 ZINC000565175512 323133946 /nfs/dbraw/zinc/13/39/46/323133946.db2.gz VQWCSIZRUWUIBL-LLVKDONJSA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)c1 ZINC000565175512 323133947 /nfs/dbraw/zinc/13/39/47/323133947.db2.gz VQWCSIZRUWUIBL-LLVKDONJSA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)c1 ZINC000565175512 323133948 /nfs/dbraw/zinc/13/39/48/323133948.db2.gz VQWCSIZRUWUIBL-LLVKDONJSA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)c1 ZINC000565175512 323133949 /nfs/dbraw/zinc/13/39/49/323133949.db2.gz VQWCSIZRUWUIBL-LLVKDONJSA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)c1 ZINC000565175512 323133950 /nfs/dbraw/zinc/13/39/50/323133950.db2.gz VQWCSIZRUWUIBL-LLVKDONJSA-N 1 2 243.314 1.498 20 0 BDADLO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)c1 ZINC000565175512 323133951 /nfs/dbraw/zinc/13/39/51/323133951.db2.gz VQWCSIZRUWUIBL-LLVKDONJSA-N 1 2 243.314 1.498 20 0 BDADLO Cc1nc(C[NH2+][C@@H](C)c2cn[nH]c2)[nH]c1C ZINC000571344372 323142156 /nfs/dbraw/zinc/14/21/56/323142156.db2.gz GZOWGLFKONXIAA-VIFPVBQESA-N 1 2 219.292 1.600 20 0 BDADLO Cc1[nH]c(CN[C@@H](C)c2cn[nH]c2)[nH+]c1C ZINC000571344372 323142157 /nfs/dbraw/zinc/14/21/57/323142157.db2.gz GZOWGLFKONXIAA-VIFPVBQESA-N 1 2 219.292 1.600 20 0 BDADLO O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC=CCC1 ZINC000049371095 323159868 /nfs/dbraw/zinc/15/98/68/323159868.db2.gz IXHZWSRDGIGKMX-GFCCVEGCSA-N 1 2 248.330 1.539 20 0 BDADLO Cc1cc(NC(=O)N[C@]2(C)CCOC2)c(C)c[nH+]1 ZINC000535060280 323164818 /nfs/dbraw/zinc/16/48/18/323164818.db2.gz IOEQLGJDINFGAE-CYBMUJFWSA-N 1 2 249.314 1.421 20 0 BDADLO Cn1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000535071109 323165205 /nfs/dbraw/zinc/16/52/05/323165205.db2.gz ZAYLWUHRDLUOQY-UHFFFAOYSA-N 1 2 247.342 1.079 20 0 BDADLO Cc1ccc(NC(=O)CNC(=O)C2CC2)c(C)[nH+]1 ZINC000532030647 323168580 /nfs/dbraw/zinc/16/85/80/323168580.db2.gz JGEJJZHIMANMAG-UHFFFAOYSA-N 1 2 247.298 1.163 20 0 BDADLO Cn1cc(Cl)c(C[N@H+](C)C2CCOCC2)n1 ZINC000563852417 323180941 /nfs/dbraw/zinc/18/09/41/323180941.db2.gz IFCLWOXPZWTMCI-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO Cn1cc(Cl)c(C[N@@H+](C)C2CCOCC2)n1 ZINC000563852417 323180942 /nfs/dbraw/zinc/18/09/42/323180942.db2.gz IFCLWOXPZWTMCI-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO c1cn([C@@H]2CCC[N@@H+](Cc3cocn3)C2)nn1 ZINC000563884718 323183221 /nfs/dbraw/zinc/18/32/21/323183221.db2.gz YGJPNBCDHGUPCU-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO c1cn([C@@H]2CCC[N@H+](Cc3cocn3)C2)nn1 ZINC000563884718 323183222 /nfs/dbraw/zinc/18/32/22/323183222.db2.gz YGJPNBCDHGUPCU-LLVKDONJSA-N 1 2 233.275 1.103 20 0 BDADLO COc1nccc(C[NH2+][C@H](C)c2ccco2)n1 ZINC000395124124 323188150 /nfs/dbraw/zinc/18/81/50/323188150.db2.gz MXKSBDHKAPAXEC-SECBINFHSA-N 1 2 233.271 1.929 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2[nH]cnc2c1 ZINC000536673938 323200686 /nfs/dbraw/zinc/20/06/86/323200686.db2.gz FFPUWZBWKVJDCP-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2[nH]cnc2c1 ZINC000536673938 323200687 /nfs/dbraw/zinc/20/06/87/323200687.db2.gz FFPUWZBWKVJDCP-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2nc[nH]c2c1 ZINC000536673938 323200688 /nfs/dbraw/zinc/20/06/88/323200688.db2.gz FFPUWZBWKVJDCP-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2nc[nH]c2c1 ZINC000536673938 323200689 /nfs/dbraw/zinc/20/06/89/323200689.db2.gz FFPUWZBWKVJDCP-UHFFFAOYSA-N 1 2 241.298 1.918 20 0 BDADLO CCC[C@H](C)C[NH+]1CC(S(C)(=O)=O)C1 ZINC000418083781 323347630 /nfs/dbraw/zinc/34/76/30/323347630.db2.gz NDOIURNOSVCFRH-VIFPVBQESA-N 1 2 219.350 1.151 20 0 BDADLO Cn1cc(C(C)(C)[NH2+]Cc2csnn2)cn1 ZINC000309516292 323421561 /nfs/dbraw/zinc/42/15/61/323421561.db2.gz RRAMMCUVXQAZJL-UHFFFAOYSA-N 1 2 237.332 1.297 20 0 BDADLO CC[C@@H](NC(=O)Cc1cc(C)no1)c1[nH]cc[nH+]1 ZINC000571767517 323475305 /nfs/dbraw/zinc/47/53/05/323475305.db2.gz LHAMYFBLDCPSLG-SNVBAGLBSA-N 1 2 248.286 1.516 20 0 BDADLO C[C@@H](CC(=O)NC(C)(C)CF)n1cc[nH+]c1 ZINC000571928782 323504596 /nfs/dbraw/zinc/50/45/96/323504596.db2.gz JRIAUENNLVDXPD-VIFPVBQESA-N 1 2 227.283 1.699 20 0 BDADLO COC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(C)C ZINC000572057268 323529668 /nfs/dbraw/zinc/52/96/68/323529668.db2.gz JZTAUMUPDDLBIG-NSHDSACASA-N 1 2 242.363 1.115 20 0 BDADLO C[C@@](O)(C(=O)Nc1c[nH+]c2n1CCCC2)C1CC1 ZINC000572110230 323539452 /nfs/dbraw/zinc/53/94/52/323539452.db2.gz XQNKDPXPEPASJA-ZDUSSCGKSA-N 1 2 249.314 1.319 20 0 BDADLO CC(C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572164178 323556633 /nfs/dbraw/zinc/55/66/33/323556633.db2.gz STJGARSMWXXUEF-VXGBXAGGSA-N 1 2 249.358 1.996 20 0 BDADLO CCn1nncc1CNc1cc[nH+]c(C(C)C)n1 ZINC000528065011 323756233 /nfs/dbraw/zinc/75/62/33/323756233.db2.gz UCEJJODGNMWZFJ-UHFFFAOYSA-N 1 2 246.318 1.245 20 0 BDADLO C[C@H](NC(=O)N1C[C@H](C)[C@H]1C)c1[nH+]ccn1C ZINC000667248895 487961969 /nfs/dbraw/zinc/96/19/69/487961969.db2.gz IHIYQRAESRTIJX-LPEHRKFASA-N 1 2 236.319 1.531 20 0 BDADLO C[C@H](NC(=O)N1CC2CC1(C)C2)c1[nH+]ccn1C ZINC000667246451 487962115 /nfs/dbraw/zinc/96/21/15/487962115.db2.gz HZJPUWTVBAGVET-JBLZRFIASA-N 1 2 248.330 1.675 20 0 BDADLO COc1cc[nH+]cc1NC(=O)c1cc(C)ncn1 ZINC000122699771 324054204 /nfs/dbraw/zinc/05/42/04/324054204.db2.gz NRXPHTFGDAOFAA-UHFFFAOYSA-N 1 2 244.254 1.441 20 0 BDADLO Cc1ncsc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000123080387 324079868 /nfs/dbraw/zinc/07/98/68/324079868.db2.gz KHWXBKVWSKXBRF-UHFFFAOYSA-N 1 2 236.300 1.147 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC=CCC1 ZINC000123078140 324079938 /nfs/dbraw/zinc/07/99/38/324079938.db2.gz JDWXYPRKKZMMGW-JTQLQIEISA-N 1 2 219.288 1.425 20 0 BDADLO Cc1cccn2c(C[NH2+]CCCC(=O)[O-])c[nH+]c12 ZINC000572483313 324124888 /nfs/dbraw/zinc/12/48/88/324124888.db2.gz YIYHSFMXMVMHPT-UHFFFAOYSA-N 1 2 247.298 1.597 20 0 BDADLO O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCS1 ZINC000564195825 324209252 /nfs/dbraw/zinc/20/92/52/324209252.db2.gz KUABUMYYFPXJKN-SNVBAGLBSA-N 1 2 239.344 1.285 20 0 BDADLO C[C@@H]1[C@H](C(=O)N2CCn3c[nH+]cc3C2)[C@H]1C1CC1 ZINC000529403303 324288297 /nfs/dbraw/zinc/28/82/97/324288297.db2.gz NLNIGUWGJYTKKH-BIMULSAOSA-N 1 2 245.326 1.517 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ncsc1C ZINC000529542774 324332591 /nfs/dbraw/zinc/33/25/91/324332591.db2.gz CLOLJZTZOCMULL-UHFFFAOYSA-N 1 2 236.300 1.664 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529576663 324348909 /nfs/dbraw/zinc/34/89/09/324348909.db2.gz IIFNLGUJLBRPMK-UTUOFQBUSA-N 1 2 247.342 1.515 20 0 BDADLO CCC(C)(C)OC1CN(Cc2[nH+]ccn2C)C1 ZINC000529640915 324369949 /nfs/dbraw/zinc/36/99/49/324369949.db2.gz MGEQFTVWJHSMCN-UHFFFAOYSA-N 1 2 237.347 1.810 20 0 BDADLO Cn1c[nH+]cc1CC(=O)NCC1CC=CC1 ZINC000529709382 324382645 /nfs/dbraw/zinc/38/26/45/324382645.db2.gz FRKUNPJICNFTKS-UHFFFAOYSA-N 1 2 219.288 1.045 20 0 BDADLO CCC[C@@](C)(O)C(=O)Nc1cc[nH+]cc1C ZINC000125448054 324641217 /nfs/dbraw/zinc/64/12/17/324641217.db2.gz DJZGMGWWFAPAAF-GFCCVEGCSA-N 1 2 222.288 1.880 20 0 BDADLO CC(C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000129402033 324945331 /nfs/dbraw/zinc/94/53/31/324945331.db2.gz MVQQOLTXUBVFKM-UHFFFAOYSA-N 1 2 221.304 1.739 20 0 BDADLO Cc1cc(NCc2c[nH+]cn2C)nn1C ZINC000129663942 324972302 /nfs/dbraw/zinc/97/23/02/324972302.db2.gz FXUUPYNNUZPTLD-UHFFFAOYSA-N 1 2 205.265 1.074 20 0 BDADLO C[N@H+](Cc1nnn(C(C)(C)C)n1)C1CCC1 ZINC000653559793 487966514 /nfs/dbraw/zinc/96/65/14/487966514.db2.gz USCOUGYYGCLPGA-UHFFFAOYSA-N 1 2 223.324 1.412 20 0 BDADLO C[N@@H+](Cc1nnn(C(C)(C)C)n1)C1CCC1 ZINC000653559793 487966516 /nfs/dbraw/zinc/96/65/16/487966516.db2.gz USCOUGYYGCLPGA-UHFFFAOYSA-N 1 2 223.324 1.412 20 0 BDADLO CCOc1nccnc1N(C)Cc1[nH+]ccn1C ZINC000542828595 325055074 /nfs/dbraw/zinc/05/50/74/325055074.db2.gz HNZPDXDPYMHHFH-UHFFFAOYSA-N 1 2 247.302 1.245 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC1CC1 ZINC000565187334 325096469 /nfs/dbraw/zinc/09/64/69/325096469.db2.gz FLTVWGPWOJUXDW-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC1CC1 ZINC000565187334 325096471 /nfs/dbraw/zinc/09/64/71/325096471.db2.gz FLTVWGPWOJUXDW-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO COCC1(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC000543703956 325102487 /nfs/dbraw/zinc/10/24/87/325102487.db2.gz UIVAEOJHDRCYPC-UHFFFAOYSA-N 1 2 245.282 1.699 20 0 BDADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccon1 ZINC000543840530 325117138 /nfs/dbraw/zinc/11/71/38/325117138.db2.gz VHYKKDCSKHCDEE-CYBMUJFWSA-N 1 2 232.283 1.806 20 0 BDADLO Cc1cccc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000544364475 325138907 /nfs/dbraw/zinc/13/89/07/325138907.db2.gz CIUCAYZLRFHNGG-UHFFFAOYSA-N 1 2 243.310 1.701 20 0 BDADLO CC[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000544366184 325139444 /nfs/dbraw/zinc/13/94/44/325139444.db2.gz XDPZMQYJJVOAML-SECBINFHSA-N 1 2 209.293 1.125 20 0 BDADLO CC[C@@]1(C)C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000131577494 325165200 /nfs/dbraw/zinc/16/52/00/325165200.db2.gz YWKJRCBGGVNQTP-AAEUAGOBSA-N 1 2 235.331 1.826 20 0 BDADLO CCSCC[NH2+][C@@H](C(=O)OC)C(C)C ZINC000132399009 325214593 /nfs/dbraw/zinc/21/45/93/325214593.db2.gz RCSBPFFUTOWESM-SECBINFHSA-N 1 2 219.350 1.527 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@]1(C)CO ZINC000545442798 325222295 /nfs/dbraw/zinc/22/22/95/325222295.db2.gz XBOTVLIURFTIEE-CYBMUJFWSA-N 1 2 249.314 1.191 20 0 BDADLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000132571686 325226219 /nfs/dbraw/zinc/22/62/19/325226219.db2.gz FSWQQNOQGFXEQX-CMPLNLGQSA-N 1 2 240.347 1.154 20 0 BDADLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CCO1 ZINC000132571686 325226222 /nfs/dbraw/zinc/22/62/22/325226222.db2.gz FSWQQNOQGFXEQX-CMPLNLGQSA-N 1 2 240.347 1.154 20 0 BDADLO CCc1nn(C)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000546697220 325302356 /nfs/dbraw/zinc/30/23/56/325302356.db2.gz UJGGWDWOUMTGTR-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CCc1nn(C)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000546697220 325302359 /nfs/dbraw/zinc/30/23/59/325302359.db2.gz UJGGWDWOUMTGTR-UHFFFAOYSA-N 1 2 247.302 1.277 20 0 BDADLO CC(=O)N[C@H]1CCC[N@H+](Cc2ncc(C)o2)C1 ZINC000075639929 325304948 /nfs/dbraw/zinc/30/49/48/325304948.db2.gz DYOOUDHRVSSSPL-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000075639929 325304950 /nfs/dbraw/zinc/30/49/50/325304950.db2.gz DYOOUDHRVSSSPL-NSHDSACASA-N 1 2 237.303 1.084 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CCC[C@@]2(C)CO)no1 ZINC000546809829 325313076 /nfs/dbraw/zinc/31/30/76/325313076.db2.gz HTFLRTXXWUQGDP-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO CC(C)c1nc(C[N@H+]2CCC[C@@]2(C)CO)no1 ZINC000546809829 325313078 /nfs/dbraw/zinc/31/30/78/325313078.db2.gz HTFLRTXXWUQGDP-LBPRGKRZSA-N 1 2 239.319 1.540 20 0 BDADLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1C ZINC000134492620 325361036 /nfs/dbraw/zinc/36/10/36/325361036.db2.gz GRJDESPZPNKCLA-UHFFFAOYSA-N 1 2 243.310 1.999 20 0 BDADLO CN(C)c1[nH+]cccc1N(C)C(=O)C1CCC1 ZINC000079721817 325465245 /nfs/dbraw/zinc/46/52/45/325465245.db2.gz ORBZPEFRRFXHCH-UHFFFAOYSA-N 1 2 233.315 1.911 20 0 BDADLO CC[C@@H]1CC[C@@H](C)N(Cc2noc(C[NH3+])n2)C1 ZINC000302532015 487969563 /nfs/dbraw/zinc/96/95/63/487969563.db2.gz GSFZDHDXPYCALD-NXEZZACHSA-N 1 2 238.335 1.539 20 0 BDADLO O=C(Nc1cnoc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682486786 487969755 /nfs/dbraw/zinc/96/97/55/487969755.db2.gz QLOGOYJGLLOEGT-QMMMGPOBSA-N 1 2 232.243 1.072 20 0 BDADLO O[C@@H]1CN(c2cccc[nH+]2)CC(F)(F)C1 ZINC000682477248 487969801 /nfs/dbraw/zinc/96/98/01/487969801.db2.gz OMKCWIBVCKWOIM-QMMMGPOBSA-N 1 2 214.215 1.288 20 0 BDADLO CCC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000555228104 325749887 /nfs/dbraw/zinc/74/98/87/325749887.db2.gz DONULNITJOUCOP-LBPRGKRZSA-N 1 2 235.331 1.922 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2C2CCC2)c[nH+]1 ZINC000564876361 325821430 /nfs/dbraw/zinc/82/14/30/325821430.db2.gz NXHSQVGRWDYWAJ-VHSXEESVSA-N 1 2 219.288 1.637 20 0 BDADLO CC(C)(NC(=O)c1ccon1)c1[nH]cc[nH+]1 ZINC000565106304 325858413 /nfs/dbraw/zinc/85/84/13/325858413.db2.gz OZISIAFPLKDGLC-UHFFFAOYSA-N 1 2 220.232 1.063 20 0 BDADLO CC(C)C[C@@H]1C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000565877756 325968302 /nfs/dbraw/zinc/96/83/02/325968302.db2.gz JVQJCNURNWORRG-GHMZBOCLSA-N 1 2 221.304 1.434 20 0 BDADLO Cc1nc(N2Cc3cccnc3C2)cc[nH+]1 ZINC000566136617 326001628 /nfs/dbraw/zinc/00/16/28/326001628.db2.gz SEAHXQQOGJLCLZ-UHFFFAOYSA-N 1 2 212.256 1.700 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ncccn2)CC2(CCC2)O1 ZINC000566184244 326008079 /nfs/dbraw/zinc/00/80/79/326008079.db2.gz JGHVLQOYVOOMLM-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ncccn2)CC2(CCC2)O1 ZINC000566184244 326008083 /nfs/dbraw/zinc/00/80/83/326008083.db2.gz JGHVLQOYVOOMLM-LLVKDONJSA-N 1 2 233.315 1.620 20 0 BDADLO C[C@H](CC(=O)N[C@H](C)C1CC1)n1cc[nH+]c1 ZINC000566308789 326032069 /nfs/dbraw/zinc/03/20/69/326032069.db2.gz UTIQUESFTDFKLD-NXEZZACHSA-N 1 2 221.304 1.749 20 0 BDADLO C[C@@H](CC(=O)N1CCC=C(F)C1)n1cc[nH+]c1 ZINC000566336588 326034872 /nfs/dbraw/zinc/03/48/72/326034872.db2.gz FOVVLLNURXWPIX-JTQLQIEISA-N 1 2 237.278 1.920 20 0 BDADLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccn2C)[nH+]1 ZINC000566364861 326038212 /nfs/dbraw/zinc/03/82/12/326038212.db2.gz CGWDMUXLXFDGNU-UHFFFAOYSA-N 1 2 246.314 1.722 20 0 BDADLO Cc1nsc(C)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000566428418 326045145 /nfs/dbraw/zinc/04/51/45/326045145.db2.gz FOPCKDPPGSTZLG-SNVBAGLBSA-N 1 2 244.335 1.930 20 0 BDADLO Cc1nsc(C)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000566428418 326045147 /nfs/dbraw/zinc/04/51/47/326045147.db2.gz FOPCKDPPGSTZLG-SNVBAGLBSA-N 1 2 244.335 1.930 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C)CC1 ZINC000566457969 326050798 /nfs/dbraw/zinc/05/07/98/326050798.db2.gz MXIZPFNNJFCJCB-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C)CC1 ZINC000566457969 326050801 /nfs/dbraw/zinc/05/08/01/326050801.db2.gz MXIZPFNNJFCJCB-SNVBAGLBSA-N 1 2 235.331 1.895 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](F)C1 ZINC000566567977 326065154 /nfs/dbraw/zinc/06/51/54/326065154.db2.gz HSGUYSJVLNWVBI-SECBINFHSA-N 1 2 225.267 1.221 20 0 BDADLO Cc1c(CN(C)c2nc(C)[nH+]cc2C)cnn1C ZINC000566690074 326075120 /nfs/dbraw/zinc/07/51/20/326075120.db2.gz HTQQHIOLHPNAIG-UHFFFAOYSA-N 1 2 245.330 1.772 20 0 BDADLO CC(C)(C)n1nnnc1COc1cc[nH+]cc1 ZINC000566790012 326082488 /nfs/dbraw/zinc/08/24/88/326082488.db2.gz HRSJASHHBOFPRJ-UHFFFAOYSA-N 1 2 233.275 1.402 20 0 BDADLO COc1c(N)[nH+]cnc1N1CC(C)=C[C@H](C)C1 ZINC000566985423 326100113 /nfs/dbraw/zinc/10/01/13/326100113.db2.gz JEWNNIYYUJYRCE-QMMMGPOBSA-N 1 2 234.303 1.470 20 0 BDADLO COc1c(N)nc[nH+]c1N1CC(C)=C[C@H](C)C1 ZINC000566985423 326100115 /nfs/dbraw/zinc/10/01/15/326100115.db2.gz JEWNNIYYUJYRCE-QMMMGPOBSA-N 1 2 234.303 1.470 20 0 BDADLO CCc1cnc(C[NH2+]C(C)(C)c2cnn(C)c2)o1 ZINC000567085210 326113401 /nfs/dbraw/zinc/11/34/01/326113401.db2.gz UYIFKHWQUBZMMB-UHFFFAOYSA-N 1 2 248.330 1.995 20 0 BDADLO CCO[C@H]1C[C@@H]1Nc1nc(C)[nH+]cc1C ZINC000567124117 326120609 /nfs/dbraw/zinc/12/06/09/326120609.db2.gz ZJTHXIPBAWNSHZ-UWVGGRQHSA-N 1 2 207.277 1.683 20 0 BDADLO COc1c(C)[nH+]c(C2CC2)nc1N1CC(CO)C1 ZINC000567520667 326209408 /nfs/dbraw/zinc/20/94/08/326209408.db2.gz ADPVRVAQCCITRM-UHFFFAOYSA-N 1 2 249.314 1.100 20 0 BDADLO C[C@H]1OCC[N@H+](CC(=O)NC2CCCC2)[C@H]1C ZINC000156103626 326219037 /nfs/dbraw/zinc/21/90/37/326219037.db2.gz MAGMXOALMAPADU-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO C[C@H]1OCC[N@@H+](CC(=O)NC2CCCC2)[C@H]1C ZINC000156103626 326219039 /nfs/dbraw/zinc/21/90/39/326219039.db2.gz MAGMXOALMAPADU-WDEREUQCSA-N 1 2 240.347 1.154 20 0 BDADLO O=C1C[N@H+](Cc2cccnc2)[C@H]2CCCC[C@H]2N1 ZINC000156846876 326244345 /nfs/dbraw/zinc/24/43/45/326244345.db2.gz HVEVPGFPYWKUJJ-OLZOCXBDSA-N 1 2 245.326 1.325 20 0 BDADLO O=C1C[N@@H+](Cc2cccnc2)[C@H]2CCCC[C@H]2N1 ZINC000156846876 326244346 /nfs/dbraw/zinc/24/43/46/326244346.db2.gz HVEVPGFPYWKUJJ-OLZOCXBDSA-N 1 2 245.326 1.325 20 0 BDADLO c1snnc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796157 326258972 /nfs/dbraw/zinc/25/89/72/326258972.db2.gz DYMKZKJALVRAMS-SCZZXKLOSA-N 1 2 225.317 1.149 20 0 BDADLO c1snnc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796157 326258974 /nfs/dbraw/zinc/25/89/74/326258974.db2.gz DYMKZKJALVRAMS-SCZZXKLOSA-N 1 2 225.317 1.149 20 0 BDADLO C[C@@H]1C[NH+](CCn2ccsc2=O)C[C@@H](C)O1 ZINC000313887797 326285097 /nfs/dbraw/zinc/28/50/97/326285097.db2.gz OUPKQHNUSJZBKF-NXEZZACHSA-N 1 2 242.344 1.019 20 0 BDADLO CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000567975350 326289600 /nfs/dbraw/zinc/28/96/00/326289600.db2.gz RGIGPJPAHXZPCW-LLVKDONJSA-N 1 2 247.342 1.752 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H](F)C1 ZINC000568016586 326296592 /nfs/dbraw/zinc/29/65/92/326296592.db2.gz IXGLWDGRBOEZPY-SECBINFHSA-N 1 2 240.282 1.064 20 0 BDADLO C[C@@H](NC(=O)[C@@H]1C[C@]12CCOC2)c1[nH]cc[nH+]1 ZINC000568107320 326309250 /nfs/dbraw/zinc/30/92/50/326309250.db2.gz JLHVYIYDONFFDY-PTRXPTGYSA-N 1 2 235.287 1.014 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568192828 326324033 /nfs/dbraw/zinc/32/40/33/326324033.db2.gz WBHZKAQYRJFRMT-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568192828 326324036 /nfs/dbraw/zinc/32/40/36/326324036.db2.gz WBHZKAQYRJFRMT-JQWIXIFHSA-N 1 2 235.331 1.989 20 0 BDADLO Cc1cnc(CCNc2nc(C)[nH+]cc2C)cn1 ZINC000568247910 326334359 /nfs/dbraw/zinc/33/43/59/326334359.db2.gz ASWQNBJOYOCUQO-UHFFFAOYSA-N 1 2 243.314 1.268 20 0 BDADLO CC[C@H](C)[C@H](CNc1nc(C)[nH+]cc1C)OC ZINC000568248958 326334798 /nfs/dbraw/zinc/33/47/98/326334798.db2.gz BZFLRQPYFIGQIE-CABZTGNLSA-N 1 2 237.347 1.988 20 0 BDADLO Cc1noc([C@@H](C)[N@H+](C)Cc2cc[nH]c2)n1 ZINC000568253563 326335624 /nfs/dbraw/zinc/33/56/24/326335624.db2.gz SCKBQKKEPXZCES-MRVPVSSYSA-N 1 2 220.276 1.899 20 0 BDADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cc[nH]c2)n1 ZINC000568253563 326335626 /nfs/dbraw/zinc/33/56/26/326335626.db2.gz SCKBQKKEPXZCES-MRVPVSSYSA-N 1 2 220.276 1.899 20 0 BDADLO [NH3+][C@H](C(=O)N[C@H]1CC=CCC1)c1cscn1 ZINC000568525421 326363083 /nfs/dbraw/zinc/36/30/83/326363083.db2.gz PCBLJQFAKUBCQW-WPRPVWTQSA-N 1 2 237.328 1.368 20 0 BDADLO C[C@@H](O)[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000568634797 326369774 /nfs/dbraw/zinc/36/97/74/326369774.db2.gz MHZRJQDBCVNERB-RNCFNFMXSA-N 1 2 249.289 1.761 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000568680491 326372161 /nfs/dbraw/zinc/37/21/61/326372161.db2.gz JNXWLUFGGBNBGR-AOOOYVTPSA-N 1 2 221.304 1.362 20 0 BDADLO COCc1noc([C@H]([NH3+])c2ccccc2OC)n1 ZINC000568864860 326380014 /nfs/dbraw/zinc/38/00/14/326380014.db2.gz SYKBCBPHZOYGEJ-LLVKDONJSA-N 1 2 249.270 1.273 20 0 BDADLO Cc1cc(C[NH2+]Cc2nc(C)c(C)[nH]2)n(C)n1 ZINC000568901608 326382327 /nfs/dbraw/zinc/38/23/27/326382327.db2.gz COBFGQCOAPKBHK-UHFFFAOYSA-N 1 2 233.319 1.358 20 0 BDADLO Cc1cc(CNCc2[nH]c(C)c(C)[nH+]2)n(C)n1 ZINC000568901608 326382329 /nfs/dbraw/zinc/38/23/29/326382329.db2.gz COBFGQCOAPKBHK-UHFFFAOYSA-N 1 2 233.319 1.358 20 0 BDADLO CSCC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000569173226 326393431 /nfs/dbraw/zinc/39/34/31/326393431.db2.gz LJWVZWLLCKUETE-MRVPVSSYSA-N 1 2 241.360 1.976 20 0 BDADLO Cc1nnsc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000569189680 326394295 /nfs/dbraw/zinc/39/42/95/326394295.db2.gz HZKLXRYXKPZETE-QMMMGPOBSA-N 1 2 241.360 1.846 20 0 BDADLO Cc1nnsc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000569189680 326394296 /nfs/dbraw/zinc/39/42/96/326394296.db2.gz HZKLXRYXKPZETE-QMMMGPOBSA-N 1 2 241.360 1.846 20 0 BDADLO C[C@@H](CC(=O)N1CCCOC1)n1cc[nH+]c1 ZINC000569228666 326396241 /nfs/dbraw/zinc/39/62/41/326396241.db2.gz FOUQBXAKWGQPRA-JTQLQIEISA-N 1 2 223.276 1.041 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC12CC2 ZINC000569321343 326399954 /nfs/dbraw/zinc/39/99/54/326399954.db2.gz XYWNEZREMYPTLU-GHMZBOCLSA-N 1 2 248.330 1.371 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H](C1CC1)C1CCC1 ZINC000572720660 326406781 /nfs/dbraw/zinc/40/67/81/326406781.db2.gz FUZVLBDXLUFSGR-CQSZACIVSA-N 1 2 247.342 1.658 20 0 BDADLO O=C(NC[C@@H]1CC12CC2)N1CCn2cc[nH+]c2C1 ZINC000573191280 326433980 /nfs/dbraw/zinc/43/39/80/326433980.db2.gz VGCVXOSCMMNVNJ-JTQLQIEISA-N 1 2 246.314 1.208 20 0 BDADLO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682512349 487972795 /nfs/dbraw/zinc/97/27/95/487972795.db2.gz XQSPGFZAVKSFGI-TUAOUCFPSA-N 1 2 247.342 1.845 20 0 BDADLO CC(C)C1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682516088 487974088 /nfs/dbraw/zinc/97/40/88/487974088.db2.gz IVCFODUPVHDZOU-NSHDSACASA-N 1 2 247.342 1.560 20 0 BDADLO O[C@H](C[N@@H+]1CCc2c[nH]nc2C1)CC(F)(F)F ZINC000682532443 487978695 /nfs/dbraw/zinc/97/86/95/487978695.db2.gz WTHTWLRMCBJASV-QMMMGPOBSA-N 1 2 249.236 1.081 20 0 BDADLO O[C@H](C[N@H+]1CCc2c[nH]nc2C1)CC(F)(F)F ZINC000682532443 487978697 /nfs/dbraw/zinc/97/86/97/487978697.db2.gz WTHTWLRMCBJASV-QMMMGPOBSA-N 1 2 249.236 1.081 20 0 BDADLO Cc1ccoc1C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000093384917 487982981 /nfs/dbraw/zinc/98/29/81/487982981.db2.gz UHPSCSVLDLAUPB-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO Cc1ccoc1C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000093384917 487982988 /nfs/dbraw/zinc/98/29/88/487982988.db2.gz UHPSCSVLDLAUPB-SNVBAGLBSA-N 1 2 245.344 1.453 20 0 BDADLO CCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545195 487984013 /nfs/dbraw/zinc/98/40/13/487984013.db2.gz AZVCXAAFRIKCQY-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545195 487984019 /nfs/dbraw/zinc/98/40/19/487984019.db2.gz AZVCXAAFRIKCQY-VIFPVBQESA-N 1 2 207.264 1.879 20 0 BDADLO CCCCS(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000677153956 487985426 /nfs/dbraw/zinc/98/54/26/487985426.db2.gz YWVRQONTLPTYDQ-LLVKDONJSA-N 1 2 248.392 1.142 20 0 BDADLO CCCCS(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000677153956 487985429 /nfs/dbraw/zinc/98/54/29/487985429.db2.gz YWVRQONTLPTYDQ-LLVKDONJSA-N 1 2 248.392 1.142 20 0 BDADLO O[C@@H]1C[N@H+](CC2CCCC2)CC(F)(F)C1 ZINC000682547780 487986107 /nfs/dbraw/zinc/98/61/07/487986107.db2.gz UOESREGHHYZCFQ-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO O[C@@H]1C[N@@H+](CC2CCCC2)CC(F)(F)C1 ZINC000682547780 487986115 /nfs/dbraw/zinc/98/61/15/487986115.db2.gz UOESREGHHYZCFQ-JTQLQIEISA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1C[N@H+](CC2CCCC2)CC(F)(F)C1 ZINC000682547783 487986481 /nfs/dbraw/zinc/98/64/81/487986481.db2.gz UOESREGHHYZCFQ-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO O[C@H]1C[N@@H+](CC2CCCC2)CC(F)(F)C1 ZINC000682547783 487986488 /nfs/dbraw/zinc/98/64/88/487986488.db2.gz UOESREGHHYZCFQ-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220516712 487987396 /nfs/dbraw/zinc/98/73/96/487987396.db2.gz JBEOFNQMVFYIIZ-GHMZBOCLSA-N 1 2 247.342 1.916 20 0 BDADLO C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220516712 487987405 /nfs/dbraw/zinc/98/74/05/487987405.db2.gz JBEOFNQMVFYIIZ-GHMZBOCLSA-N 1 2 247.342 1.916 20 0 BDADLO CCC[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000665690231 487988578 /nfs/dbraw/zinc/98/85/78/487988578.db2.gz MWFISUQQNFRAPR-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO CCC[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000665690231 487988583 /nfs/dbraw/zinc/98/85/83/487988583.db2.gz MWFISUQQNFRAPR-UWVGGRQHSA-N 1 2 238.335 1.870 20 0 BDADLO CCc1cc(N[C@@H]2CCNC(=O)CC2)nc[nH+]1 ZINC000396634148 487992405 /nfs/dbraw/zinc/99/24/05/487992405.db2.gz DUHFETXRRUYPOY-JTQLQIEISA-N 1 2 234.303 1.120 20 0 BDADLO Cc1cc(N[C@@H]2COC(C)(C)C2)nc[nH+]1 ZINC000396634000 487992422 /nfs/dbraw/zinc/99/24/22/487992422.db2.gz HBLNMYXDBHZMFY-VIFPVBQESA-N 1 2 207.277 1.764 20 0 BDADLO CCc1cc(N(C)CC2(CO)CC2)nc[nH+]1 ZINC000682080889 487993622 /nfs/dbraw/zinc/99/36/22/487993622.db2.gz WFXDTXDCSYASEY-UHFFFAOYSA-N 1 2 221.304 1.248 20 0 BDADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000180549530 487997836 /nfs/dbraw/zinc/99/78/36/487997836.db2.gz GBCLCELJJRMNKU-QNKRVWAESA-N 1 2 221.304 1.689 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1cc(OC)ns1 ZINC000659932152 488006031 /nfs/dbraw/zinc/00/60/31/488006031.db2.gz AVKFLEXGEKSULT-VIFPVBQESA-N 1 2 242.344 1.763 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1cc(OC)ns1 ZINC000659932152 488006038 /nfs/dbraw/zinc/00/60/38/488006038.db2.gz AVKFLEXGEKSULT-VIFPVBQESA-N 1 2 242.344 1.763 20 0 BDADLO CC1=CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000677308105 488011811 /nfs/dbraw/zinc/01/18/11/488011811.db2.gz VMIYNCFGAAWPDP-UHFFFAOYSA-N 1 2 241.298 1.819 20 0 BDADLO C[C@@]1([NH2+]Cc2n[nH]c3ccccc32)CCOC1 ZINC000677324220 488018078 /nfs/dbraw/zinc/01/80/78/488018078.db2.gz ZYKJFDIYSRVLCG-CYBMUJFWSA-N 1 2 231.299 1.832 20 0 BDADLO C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667492746 488025584 /nfs/dbraw/zinc/02/55/84/488025584.db2.gz URCKWPPEOBZNGM-LLVKDONJSA-N 1 2 249.358 1.908 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CCO1 ZINC000667492746 488025587 /nfs/dbraw/zinc/02/55/87/488025587.db2.gz URCKWPPEOBZNGM-LLVKDONJSA-N 1 2 249.358 1.908 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682758219 488029914 /nfs/dbraw/zinc/02/99/14/488029914.db2.gz AWYMDDRVSSDZSR-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682758219 488029920 /nfs/dbraw/zinc/02/99/20/488029920.db2.gz AWYMDDRVSSDZSR-RKDXNWHRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682758213 488030013 /nfs/dbraw/zinc/03/00/13/488030013.db2.gz AWYMDDRVSSDZSR-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO C[C@@H](O)CCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682758213 488030016 /nfs/dbraw/zinc/03/00/16/488030016.db2.gz AWYMDDRVSSDZSR-BDAKNGLRSA-N 1 2 241.253 1.411 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000669163637 488033173 /nfs/dbraw/zinc/03/31/73/488033173.db2.gz NJBFACOZZIGBRV-VIFPVBQESA-N 1 2 247.342 1.819 20 0 BDADLO CC(C)(NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000669163637 488033177 /nfs/dbraw/zinc/03/31/77/488033177.db2.gz NJBFACOZZIGBRV-VIFPVBQESA-N 1 2 247.342 1.819 20 0 BDADLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000667510544 488034934 /nfs/dbraw/zinc/03/49/34/488034934.db2.gz LPSZAHRJAZOVKX-QMMMGPOBSA-N 1 2 249.236 1.006 20 0 BDADLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CC[C@H](O)C1 ZINC000667510544 488034940 /nfs/dbraw/zinc/03/49/40/488034940.db2.gz LPSZAHRJAZOVKX-QMMMGPOBSA-N 1 2 249.236 1.006 20 0 BDADLO CCCn1nccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000667517996 488037104 /nfs/dbraw/zinc/03/71/04/488037104.db2.gz LSZMEJKWSVGQHX-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000667517996 488037106 /nfs/dbraw/zinc/03/71/06/488037106.db2.gz LSZMEJKWSVGQHX-RYUDHWBXSA-N 1 2 237.347 1.902 20 0 BDADLO CCCn1nccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000667531112 488038209 /nfs/dbraw/zinc/03/82/09/488038209.db2.gz XCDANJLOIMZJMF-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CCCn1nccc1C[N@H+]1CCOC(C)(C)C1 ZINC000667531112 488038212 /nfs/dbraw/zinc/03/82/12/488038212.db2.gz XCDANJLOIMZJMF-UHFFFAOYSA-N 1 2 237.347 1.904 20 0 BDADLO CC(C)(C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682455383 488046183 /nfs/dbraw/zinc/04/61/83/488046183.db2.gz XNXZJEJQXWYPMK-LLVKDONJSA-N 1 2 249.358 1.998 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC(n2cccn2)C1 ZINC000656121742 488053216 /nfs/dbraw/zinc/05/32/16/488053216.db2.gz UASLSARLZFFMIM-UHFFFAOYSA-N 1 2 245.286 1.051 20 0 BDADLO Cc1nc(C)c(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)o1 ZINC000685570373 488078178 /nfs/dbraw/zinc/07/81/78/488078178.db2.gz HUXNKJSMLXSVSN-NXEZZACHSA-N 1 2 237.347 1.816 20 0 BDADLO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)o1 ZINC000685570373 488078183 /nfs/dbraw/zinc/07/81/83/488078183.db2.gz HUXNKJSMLXSVSN-NXEZZACHSA-N 1 2 237.347 1.816 20 0 BDADLO CO[C@H]1CN(c2cc(CO)cc[nH+]2)CC[C@@H]1C ZINC000230320044 488085915 /nfs/dbraw/zinc/08/59/15/488085915.db2.gz WTUUSXQIENLFEM-JQWIXIFHSA-N 1 2 236.315 1.435 20 0 BDADLO Cc1noc(C)c1C[NH2+]Cc1ncnn1C(C)C ZINC000092339517 488090998 /nfs/dbraw/zinc/09/09/98/488090998.db2.gz JZHZWEHPHGKIDZ-UHFFFAOYSA-N 1 2 249.318 1.754 20 0 BDADLO FC(F)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000683022920 488098037 /nfs/dbraw/zinc/09/80/37/488098037.db2.gz ZRUSRRNGRHRBRR-SECBINFHSA-N 1 2 243.257 1.680 20 0 BDADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000683022920 488098043 /nfs/dbraw/zinc/09/80/43/488098043.db2.gz ZRUSRRNGRHRBRR-SECBINFHSA-N 1 2 243.257 1.680 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000683024066 488098530 /nfs/dbraw/zinc/09/85/30/488098530.db2.gz IQAMJEUHWPTVKD-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO Cc1ccnc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000683024066 488098532 /nfs/dbraw/zinc/09/85/32/488098532.db2.gz IQAMJEUHWPTVKD-CQSZACIVSA-N 1 2 248.326 1.381 20 0 BDADLO CCn1ccc(C[N@H+](C)Cc2nnc(C)o2)c1 ZINC000683028891 488100913 /nfs/dbraw/zinc/10/09/13/488100913.db2.gz CUXHSMBUFQBZCM-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCn1ccc(C[N@@H+](C)Cc2nnc(C)o2)c1 ZINC000683028891 488100919 /nfs/dbraw/zinc/10/09/19/488100919.db2.gz CUXHSMBUFQBZCM-UHFFFAOYSA-N 1 2 234.303 1.831 20 0 BDADLO CCCc1nc(C[NH2+][C@]2(CC)CCOC2)no1 ZINC000683041414 488103373 /nfs/dbraw/zinc/10/33/73/488103373.db2.gz KLFKSVQLMLBKCC-GFCCVEGCSA-N 1 2 239.319 1.681 20 0 BDADLO Cc1cc(NC(=O)COC(F)F)c(C)c[nH+]1 ZINC000671780896 488105891 /nfs/dbraw/zinc/10/58/91/488105891.db2.gz NPDDBIODFWMDHD-UHFFFAOYSA-N 1 2 230.214 1.298 20 0 BDADLO C[C@H]1C[C@H]1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000683108930 488107758 /nfs/dbraw/zinc/10/77/58/488107758.db2.gz AMAWHHCCHYAPSO-QWRGUYRKSA-N 1 2 235.331 1.578 20 0 BDADLO CCc1nnc(C[N@@H+]2CC[C@H](C(F)F)C2)o1 ZINC000677735860 488113985 /nfs/dbraw/zinc/11/39/85/488113985.db2.gz VHHPBYMCJAZABD-ZETCQYMHSA-N 1 2 231.246 1.719 20 0 BDADLO CCc1nnc(C[N@H+]2CC[C@H](C(F)F)C2)o1 ZINC000677735860 488113987 /nfs/dbraw/zinc/11/39/87/488113987.db2.gz VHHPBYMCJAZABD-ZETCQYMHSA-N 1 2 231.246 1.719 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)C(C)(F)F ZINC000451817561 488114634 /nfs/dbraw/zinc/11/46/34/488114634.db2.gz RUMLAIOZPLVMSQ-UHFFFAOYSA-N 1 2 245.273 1.718 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000451817000 488114791 /nfs/dbraw/zinc/11/47/91/488114791.db2.gz QKVYEPRKOLMHRU-JBLDHEPKSA-N 1 2 233.315 1.473 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000451814581 488114857 /nfs/dbraw/zinc/11/48/57/488114857.db2.gz KMFBFEWMUYVBIE-ZYHUDNBSSA-N 1 2 235.331 1.863 20 0 BDADLO O=C(CCCF)NCCCCn1cc[nH+]c1 ZINC000668687731 488116271 /nfs/dbraw/zinc/11/62/71/488116271.db2.gz FVAZMBNKFDYUOE-UHFFFAOYSA-N 1 2 227.283 1.529 20 0 BDADLO c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)[nH]n1 ZINC000667773045 488117113 /nfs/dbraw/zinc/11/71/13/488117113.db2.gz ARRFAUILTKNJEW-MNOVXSKESA-N 1 2 207.277 1.067 20 0 BDADLO C[N@H+](CCOCC1CCC1)Cc1ncc[nH]1 ZINC000677768012 488121059 /nfs/dbraw/zinc/12/10/59/488121059.db2.gz RBIALHZSJMAUQO-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO C[N@@H+](CCOCC1CCC1)Cc1ncc[nH]1 ZINC000677768012 488121065 /nfs/dbraw/zinc/12/10/65/488121065.db2.gz RBIALHZSJMAUQO-UHFFFAOYSA-N 1 2 223.320 1.658 20 0 BDADLO Cc1c[nH]nc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000685843096 488123386 /nfs/dbraw/zinc/12/33/86/488123386.db2.gz LJOYRXSBJGMFLD-WPRPVWTQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000685843096 488123392 /nfs/dbraw/zinc/12/33/92/488123392.db2.gz LJOYRXSBJGMFLD-WPRPVWTQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000685843096 488123394 /nfs/dbraw/zinc/12/33/94/488123394.db2.gz LJOYRXSBJGMFLD-WPRPVWTQSA-N 1 2 211.284 1.898 20 0 BDADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000685843096 488123398 /nfs/dbraw/zinc/12/33/98/488123398.db2.gz LJOYRXSBJGMFLD-WPRPVWTQSA-N 1 2 211.284 1.898 20 0 BDADLO CC(C)Cc1noc(CN(C)Cc2[nH]cc[nH+]2)n1 ZINC000677801859 488125011 /nfs/dbraw/zinc/12/50/11/488125011.db2.gz KJTWDLGRRHHKNI-UHFFFAOYSA-N 1 2 249.318 1.623 20 0 BDADLO CCN(C)c1ccc(CNc2c[nH]cn2)c[nH+]1 ZINC000685845709 488127575 /nfs/dbraw/zinc/12/75/75/488127575.db2.gz BASDNNMTEMLQFP-UHFFFAOYSA-N 1 2 231.303 1.873 20 0 BDADLO C[C@@H](c1ccncc1)[N@@H+]1CCc2n[nH]nc2C1 ZINC000683223259 488132741 /nfs/dbraw/zinc/13/27/41/488132741.db2.gz RQRSRPMHVKENTQ-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO C[C@@H](c1ccncc1)[N@H+]1CCc2n[nH]nc2C1 ZINC000683223259 488132744 /nfs/dbraw/zinc/13/27/44/488132744.db2.gz RQRSRPMHVKENTQ-VIFPVBQESA-N 1 2 229.287 1.319 20 0 BDADLO CC1(C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000526006089 487538895 /nfs/dbraw/zinc/53/88/95/487538895.db2.gz LJHMOGXPGYWXPT-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CC1(C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000526006089 487538897 /nfs/dbraw/zinc/53/88/97/487538897.db2.gz LJHMOGXPGYWXPT-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO Cc1[nH]c(C(=O)N[C@H]2CCCC2(F)F)c[nH+]1 ZINC000673377042 487540277 /nfs/dbraw/zinc/54/02/77/487540277.db2.gz VBTOFGPCXHPDFG-QMMMGPOBSA-N 1 2 229.230 1.636 20 0 BDADLO Cc1ccsc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000668792163 487546048 /nfs/dbraw/zinc/54/60/48/487546048.db2.gz NZXWGIKJXQFGDF-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO Cc1ccsc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000668792163 487546056 /nfs/dbraw/zinc/54/60/56/487546056.db2.gz NZXWGIKJXQFGDF-UHFFFAOYSA-N 1 2 234.328 1.733 20 0 BDADLO CCCC[N@@H+]1CC(=O)N[C@]12CCO[C@H](CC)C2 ZINC000666171205 487547958 /nfs/dbraw/zinc/54/79/58/487547958.db2.gz NRUQEALPGSEURI-DGCLKSJQSA-N 1 2 240.347 1.504 20 0 BDADLO CCCC[N@H+]1CC(=O)N[C@]12CCO[C@H](CC)C2 ZINC000666171205 487547965 /nfs/dbraw/zinc/54/79/65/487547965.db2.gz NRUQEALPGSEURI-DGCLKSJQSA-N 1 2 240.347 1.504 20 0 BDADLO Cn1nncc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000685570145 487551324 /nfs/dbraw/zinc/55/13/24/487551324.db2.gz USNLQWHFZXXEFJ-UHFFFAOYSA-N 1 2 228.246 1.046 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766729 487552191 /nfs/dbraw/zinc/55/21/91/487552191.db2.gz ADKYAGWFEJSBIB-GXSJLCMTSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+]2CCc3c[nH]nc3C2)O1 ZINC000682766729 487552196 /nfs/dbraw/zinc/55/21/96/487552196.db2.gz ADKYAGWFEJSBIB-GXSJLCMTSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@H]1CC[C@H](C[N@@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766729 487552202 /nfs/dbraw/zinc/55/22/02/487552202.db2.gz ADKYAGWFEJSBIB-GXSJLCMTSA-N 1 2 221.304 1.335 20 0 BDADLO C[C@H]1CC[C@H](C[N@H+]2CCc3cn[nH]c3C2)O1 ZINC000682766729 487552206 /nfs/dbraw/zinc/55/22/06/487552206.db2.gz ADKYAGWFEJSBIB-GXSJLCMTSA-N 1 2 221.304 1.335 20 0 BDADLO COc1c(C)[nH+]cnc1N1CC[C@@H]2C[C@@H]2C1 ZINC000664523979 487552895 /nfs/dbraw/zinc/55/28/95/487552895.db2.gz JSAHSSWNBRPQIR-NXEZZACHSA-N 1 2 219.288 1.640 20 0 BDADLO Cc1ncoc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680257781 487553654 /nfs/dbraw/zinc/55/36/54/487553654.db2.gz LFPSSUHKNNCDPV-UHFFFAOYSA-N 1 2 246.270 1.696 20 0 BDADLO Cc1n[nH]cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680259904 487554712 /nfs/dbraw/zinc/55/47/12/487554712.db2.gz LJBGURORQGLAKN-UHFFFAOYSA-N 1 2 245.286 1.431 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000392799012 487555178 /nfs/dbraw/zinc/55/51/78/487555178.db2.gz QISRXVXLRWEQMS-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1ccnc(C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000392799012 487555179 /nfs/dbraw/zinc/55/51/79/487555179.db2.gz QISRXVXLRWEQMS-LLVKDONJSA-N 1 2 218.300 1.801 20 0 BDADLO Cc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)ccn1C ZINC000684951738 487474342 /nfs/dbraw/zinc/47/43/42/487474342.db2.gz ZAXKWSDKSKHBAA-SNVBAGLBSA-N 1 2 246.314 1.349 20 0 BDADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccn(C)c1C ZINC000684972983 487475033 /nfs/dbraw/zinc/47/50/33/487475033.db2.gz VVFZGMDVBCUBJO-UHFFFAOYSA-N 1 2 232.287 1.295 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000673927321 487481667 /nfs/dbraw/zinc/48/16/67/487481667.db2.gz TVYVRQIXHSXLJJ-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000673927321 487481672 /nfs/dbraw/zinc/48/16/72/487481672.db2.gz TVYVRQIXHSXLJJ-JTQLQIEISA-N 1 2 238.335 1.002 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1cccc2c1CCC2 ZINC000673934453 487483958 /nfs/dbraw/zinc/48/39/58/487483958.db2.gz DHCDTFZAOVTOGO-UHFFFAOYSA-N 1 2 241.294 1.828 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1cccc2c1CCC2 ZINC000673934453 487483961 /nfs/dbraw/zinc/48/39/61/487483961.db2.gz DHCDTFZAOVTOGO-UHFFFAOYSA-N 1 2 241.294 1.828 20 0 BDADLO Cc1cn2c(n1)C[N@H+]([C@@H]1CCCOC1)CC2 ZINC000679867458 487477740 /nfs/dbraw/zinc/47/77/40/487477740.db2.gz BIGOXYNPFLQEEN-LLVKDONJSA-N 1 2 221.304 1.186 20 0 BDADLO Cc1cn2c(n1)C[N@@H+]([C@@H]1CCCOC1)CC2 ZINC000679867458 487477745 /nfs/dbraw/zinc/47/77/45/487477745.db2.gz BIGOXYNPFLQEEN-LLVKDONJSA-N 1 2 221.304 1.186 20 0 BDADLO C[N@H+](Cc1cn[nH]c1)[C@H](C(N)=O)c1ccccc1 ZINC000673926979 487480083 /nfs/dbraw/zinc/48/00/83/487480083.db2.gz DZUWPBNKEHKSCS-LBPRGKRZSA-N 1 2 244.298 1.068 20 0 BDADLO C[N@@H+](Cc1cn[nH]c1)[C@H](C(N)=O)c1ccccc1 ZINC000673926979 487480092 /nfs/dbraw/zinc/48/00/92/487480092.db2.gz DZUWPBNKEHKSCS-LBPRGKRZSA-N 1 2 244.298 1.068 20 0 BDADLO CC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)COC1 ZINC000679884839 487480286 /nfs/dbraw/zinc/48/02/86/487480286.db2.gz OCNMLKXTDIMZEP-LLVKDONJSA-N 1 2 249.314 1.083 20 0 BDADLO COC[C@@H](C)C[N@H+](C)Cc1noc(C)n1 ZINC000674011061 487497969 /nfs/dbraw/zinc/49/79/69/487497969.db2.gz FECZLPCBJLXVMS-QMMMGPOBSA-N 1 2 213.281 1.092 20 0 BDADLO COC[C@@H](C)C[N@@H+](C)Cc1noc(C)n1 ZINC000674011061 487497973 /nfs/dbraw/zinc/49/79/73/487497973.db2.gz FECZLPCBJLXVMS-QMMMGPOBSA-N 1 2 213.281 1.092 20 0 BDADLO Cn1ncc(C2CC2)c1C[NH+]1CC(C(F)F)C1 ZINC000668232097 487499647 /nfs/dbraw/zinc/49/96/47/487499647.db2.gz CCHKLDHUYVNLEV-UHFFFAOYSA-N 1 2 241.285 1.994 20 0 BDADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nccc(N)n1 ZINC000679946019 487499930 /nfs/dbraw/zinc/49/99/30/487499930.db2.gz WBTROBCCVNSYCP-SNVBAGLBSA-N 1 2 243.314 1.613 20 0 BDADLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@H]1C[C@H]1C ZINC000666120228 487504047 /nfs/dbraw/zinc/50/40/47/487504047.db2.gz LSWYWYFCDWZBHL-WZRBSPASSA-N 1 2 249.358 1.967 20 0 BDADLO Cc1cn2c(n1)C[N@H+](Cc1ccn(C)c1)CC2 ZINC000680000484 487513781 /nfs/dbraw/zinc/51/37/81/487513781.db2.gz KHSVTAKFXCOQLZ-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cc1cn2c(n1)C[N@@H+](Cc1ccn(C)c1)CC2 ZINC000680000484 487513784 /nfs/dbraw/zinc/51/37/84/487513784.db2.gz KHSVTAKFXCOQLZ-UHFFFAOYSA-N 1 2 230.315 1.546 20 0 BDADLO Cn1ncc(C2CCC2)c1C[NH+]1CC(C)(CO)C1 ZINC000668233792 487508327 /nfs/dbraw/zinc/50/83/27/487508327.db2.gz MYWNYTIEILSKAE-UHFFFAOYSA-N 1 2 249.358 1.502 20 0 BDADLO C[N@@H+](Cc1cc2n(n1)CCC2)CC1=CCSC1 ZINC000662267754 487509776 /nfs/dbraw/zinc/50/97/76/487509776.db2.gz YEEROVPPZWPLMI-UHFFFAOYSA-N 1 2 249.383 1.934 20 0 BDADLO C[N@H+](Cc1cc2n(n1)CCC2)CC1=CCSC1 ZINC000662267754 487509783 /nfs/dbraw/zinc/50/97/83/487509783.db2.gz YEEROVPPZWPLMI-UHFFFAOYSA-N 1 2 249.383 1.934 20 0 BDADLO CCc1cc(NC[C@]2(C)CCC(=O)N2)nc[nH+]1 ZINC000665724265 487510446 /nfs/dbraw/zinc/51/04/46/487510446.db2.gz OWZLDUUXPHXJHV-LBPRGKRZSA-N 1 2 234.303 1.120 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncccc1O ZINC000680007565 487516718 /nfs/dbraw/zinc/51/67/18/487516718.db2.gz HKOYDHYTTMRTCZ-SECBINFHSA-N 1 2 235.287 1.210 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ncccc1O ZINC000680007565 487516720 /nfs/dbraw/zinc/51/67/20/487516720.db2.gz HKOYDHYTTMRTCZ-SECBINFHSA-N 1 2 235.287 1.210 20 0 BDADLO C[N@H+](CCOCC(F)F)Cc1ncc[nH]1 ZINC000685411955 487517058 /nfs/dbraw/zinc/51/70/58/487517058.db2.gz IPBAJLLFECINRA-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO C[N@@H+](CCOCC(F)F)Cc1ncc[nH]1 ZINC000685411955 487517063 /nfs/dbraw/zinc/51/70/63/487517063.db2.gz IPBAJLLFECINRA-UHFFFAOYSA-N 1 2 219.235 1.123 20 0 BDADLO Cc1[nH+]cc(CN2C[C@@H]3C[C@H]2CS3)n1C ZINC000668237328 487519871 /nfs/dbraw/zinc/51/98/71/487519871.db2.gz LEPKDDDKRGIPQQ-ONGXEEELSA-N 1 2 223.345 1.418 20 0 BDADLO O=C(C[NH+]1CCCCC1)Nc1ccon1 ZINC000014901452 487520958 /nfs/dbraw/zinc/52/09/58/487520958.db2.gz MEMSRTAIMXKPLR-UHFFFAOYSA-N 1 2 209.249 1.099 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CCCC1 ZINC000674135524 487521458 /nfs/dbraw/zinc/52/14/58/487521458.db2.gz BVRRHQONAJZRLG-SECBINFHSA-N 1 2 221.304 1.852 20 0 BDADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CCCC1 ZINC000674135524 487521460 /nfs/dbraw/zinc/52/14/60/487521460.db2.gz BVRRHQONAJZRLG-SECBINFHSA-N 1 2 221.304 1.852 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001172762386 974932389 /nfs/dbraw/zinc/93/23/89/974932389.db2.gz KKEYCUGLUUUJNB-TUAOUCFPSA-N 1 2 241.331 1.580 20 0 BDADLO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCO[C@H]2C[C@H]21 ZINC001172762386 974932391 /nfs/dbraw/zinc/93/23/91/974932391.db2.gz KKEYCUGLUUUJNB-TUAOUCFPSA-N 1 2 241.331 1.580 20 0 BDADLO Cc1nc2[nH]ccc2c(N(C)C[C@H](O)C2CC2)[nH+]1 ZINC000674338036 487561452 /nfs/dbraw/zinc/56/14/52/487561452.db2.gz KWJKKFHVWKVLFI-NSHDSACASA-N 1 2 246.314 1.473 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cnc2cnccn12 ZINC000668422221 487727857 /nfs/dbraw/zinc/72/78/57/487727857.db2.gz UIOGMKQXWSWXQZ-UHFFFAOYSA-N 1 2 242.286 1.084 20 0 BDADLO Cn1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000675637303 487757281 /nfs/dbraw/zinc/75/72/81/487757281.db2.gz LCDMOMUNEWNTJW-UHFFFAOYSA-N 1 2 240.266 1.925 20 0 BDADLO CC[N@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621285512 488092823 /nfs/dbraw/zinc/09/28/23/488092823.db2.gz AHBDNJKRCDNQIY-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO CC[N@@H+](CC(N)=O)Cc1cncc(Cl)c1 ZINC000621285512 488092829 /nfs/dbraw/zinc/09/28/29/488092829.db2.gz AHBDNJKRCDNQIY-UHFFFAOYSA-N 1 2 227.695 1.042 20 0 BDADLO CC[C@H](C)[N@H+](CCO)Cc1csnn1 ZINC000379572924 488142491 /nfs/dbraw/zinc/14/24/91/488142491.db2.gz IKRLKPALFQJFOV-QMMMGPOBSA-N 1 2 215.322 1.131 20 0 BDADLO CC[C@H](C)[N@@H+](CCO)Cc1csnn1 ZINC000379572924 488142493 /nfs/dbraw/zinc/14/24/93/488142493.db2.gz IKRLKPALFQJFOV-QMMMGPOBSA-N 1 2 215.322 1.131 20 0 BDADLO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cscn1 ZINC000657861735 488153907 /nfs/dbraw/zinc/15/39/07/488153907.db2.gz WBUTXDGXKXEKTH-SNVBAGLBSA-N 1 2 234.328 1.964 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccncc2C)nn1 ZINC000404417842 488157126 /nfs/dbraw/zinc/15/71/26/488157126.db2.gz ALNMYSWCKCWUNJ-UHFFFAOYSA-N 1 2 231.303 1.291 20 0 BDADLO CCn1cc([C@@H](C)[NH2+]Cc2cn(CC)nn2)cn1 ZINC000404488884 488163496 /nfs/dbraw/zinc/16/34/96/488163496.db2.gz FOTIQKPGFUSBEE-SNVBAGLBSA-N 1 2 248.334 1.365 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)c1coc(C2CCC2)n1 ZINC000683485665 488174480 /nfs/dbraw/zinc/17/44/80/488174480.db2.gz FCZSOIANTRJJNR-UHFFFAOYSA-N 1 2 246.270 1.595 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)c1coc(C2CCC2)n1 ZINC000683485665 488174481 /nfs/dbraw/zinc/17/44/81/488174481.db2.gz FCZSOIANTRJJNR-UHFFFAOYSA-N 1 2 246.270 1.595 20 0 BDADLO CCCn1cc(C(=O)Nc2cc[nH+]c(C)c2)nn1 ZINC000678025185 488174619 /nfs/dbraw/zinc/17/46/19/488174619.db2.gz ONSJKTATPMMYIH-UHFFFAOYSA-N 1 2 245.286 1.066 20 0 BDADLO c1[nH+]c2n(c1CN1CCO[C@@H](C3CC3)C1)CCC2 ZINC000668007076 488183271 /nfs/dbraw/zinc/18/32/71/488183271.db2.gz LNCWJENXSCVBKS-CYBMUJFWSA-N 1 2 247.342 1.440 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NCC[C@H]1CCCO1 ZINC000678096753 488197694 /nfs/dbraw/zinc/19/76/94/488197694.db2.gz VOGYSXNFHLHWAE-LLVKDONJSA-N 1 2 249.314 1.503 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000668069438 488198323 /nfs/dbraw/zinc/19/83/23/488198323.db2.gz QLJUUWYQEQFIPH-SNVBAGLBSA-N 1 2 221.304 1.050 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1cnn2c1CCC2 ZINC000668069438 488198326 /nfs/dbraw/zinc/19/83/26/488198326.db2.gz QLJUUWYQEQFIPH-SNVBAGLBSA-N 1 2 221.304 1.050 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668086909 488200699 /nfs/dbraw/zinc/20/06/99/488200699.db2.gz VVNDAWNIHZKLPR-GHMZBOCLSA-N 1 2 247.342 1.916 20 0 BDADLO CC[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668086909 488200703 /nfs/dbraw/zinc/20/07/03/488200703.db2.gz VVNDAWNIHZKLPR-GHMZBOCLSA-N 1 2 247.342 1.916 20 0 BDADLO C([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1noc(C2CC2)n1 ZINC000668096760 488202332 /nfs/dbraw/zinc/20/23/32/488202332.db2.gz PUFNBEUDRFWUJJ-QWRGUYRKSA-N 1 2 249.314 1.604 20 0 BDADLO Cn1cnc(C[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000673602238 488203654 /nfs/dbraw/zinc/20/36/54/488203654.db2.gz VNUAXLOYDLPTOJ-ZDUSSCGKSA-N 1 2 249.289 1.382 20 0 BDADLO CCc1noc(C[N@@H+]2CC[C@H](C(F)F)C2)n1 ZINC000677729230 488204616 /nfs/dbraw/zinc/20/46/16/488204616.db2.gz ASJZXLRAYAJFDI-ZETCQYMHSA-N 1 2 231.246 1.719 20 0 BDADLO CCc1noc(C[N@H+]2CC[C@H](C(F)F)C2)n1 ZINC000677729230 488204618 /nfs/dbraw/zinc/20/46/18/488204618.db2.gz ASJZXLRAYAJFDI-ZETCQYMHSA-N 1 2 231.246 1.719 20 0 BDADLO CCc1nocc1C(=O)Nc1cc[nH+]cc1CC ZINC000668746473 488208037 /nfs/dbraw/zinc/20/80/37/488208037.db2.gz OZWNOFDONMDSJM-UHFFFAOYSA-N 1 2 245.282 1.869 20 0 BDADLO COCC[N@@H+](Cc1cn[nH]c1)Cc1ccco1 ZINC000678155787 488209830 /nfs/dbraw/zinc/20/98/30/488209830.db2.gz DAAKPMCLVTXLHP-UHFFFAOYSA-N 1 2 235.287 1.651 20 0 BDADLO COCC[N@H+](Cc1cn[nH]c1)Cc1ccco1 ZINC000678155787 488209833 /nfs/dbraw/zinc/20/98/33/488209833.db2.gz DAAKPMCLVTXLHP-UHFFFAOYSA-N 1 2 235.287 1.651 20 0 BDADLO CC1(C[N@@H+]2C[C@H](O)CC(F)(F)C2)CCC1 ZINC000683715322 488211552 /nfs/dbraw/zinc/21/15/52/488211552.db2.gz PHDYCUIIROMENO-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO CC1(C[N@H+]2C[C@H](O)CC(F)(F)C2)CCC1 ZINC000683715322 488211556 /nfs/dbraw/zinc/21/15/56/488211556.db2.gz PHDYCUIIROMENO-SECBINFHSA-N 1 2 219.275 1.879 20 0 BDADLO Cc1cn2ccc(NC(=O)NCCF)cc2[nH+]1 ZINC000668162997 488211625 /nfs/dbraw/zinc/21/16/25/488211625.db2.gz ONNHRUZXAGRPTQ-UHFFFAOYSA-N 1 2 236.250 1.734 20 0 BDADLO COC1(C)C[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000668173536 488213754 /nfs/dbraw/zinc/21/37/54/488213754.db2.gz KUUCATAWCIQAGE-UHFFFAOYSA-N 1 2 235.331 1.518 20 0 BDADLO Cc1cnc(C[NH2+][C@@H]2CCCc3c2cnn3C)o1 ZINC000231639543 488218078 /nfs/dbraw/zinc/21/80/78/488218078.db2.gz MFIQNBICLVQRJZ-LLVKDONJSA-N 1 2 246.314 1.884 20 0 BDADLO O[C@H]1C[N@H+](C[C@H]2CCSC2)CC(F)(F)C1 ZINC000683839570 488230287 /nfs/dbraw/zinc/23/02/87/488230287.db2.gz LGEDMTDULNTAKC-RKDXNWHRSA-N 1 2 237.315 1.441 20 0 BDADLO O[C@H]1C[N@@H+](C[C@H]2CCSC2)CC(F)(F)C1 ZINC000683839570 488230289 /nfs/dbraw/zinc/23/02/89/488230289.db2.gz LGEDMTDULNTAKC-RKDXNWHRSA-N 1 2 237.315 1.441 20 0 BDADLO Oc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000678275928 488235610 /nfs/dbraw/zinc/23/56/10/488235610.db2.gz LLJISXNEPVPVLP-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO Oc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000678275928 488235612 /nfs/dbraw/zinc/23/56/12/488235612.db2.gz LLJISXNEPVPVLP-UHFFFAOYSA-N 1 2 229.283 1.674 20 0 BDADLO CCn1nc(C)c(CN(C)Cc2[nH]cc[nH+]2)c1C ZINC000683889671 488237499 /nfs/dbraw/zinc/23/74/99/488237499.db2.gz XBQGOPRHCUCWCO-UHFFFAOYSA-N 1 2 247.346 1.875 20 0 BDADLO CCC(CC)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148647 488241112 /nfs/dbraw/zinc/24/11/12/488241112.db2.gz UKGKDWZELODDLS-LLVKDONJSA-N 1 2 235.331 1.750 20 0 BDADLO O=C(CC(F)(F)F)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672151806 488241513 /nfs/dbraw/zinc/24/15/13/488241513.db2.gz AUNFUPXYTOFRIM-SSDOTTSWSA-N 1 2 247.220 1.267 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccsc1 ZINC000672151569 488241686 /nfs/dbraw/zinc/24/16/86/488241686.db2.gz ZWXZVPUCVAWQMS-JTQLQIEISA-N 1 2 247.323 1.689 20 0 BDADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1=CCCCC1 ZINC000672149771 488241732 /nfs/dbraw/zinc/24/17/32/488241732.db2.gz XKSSDVPZTAPYSR-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO CC(F)(F)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672151423 488241738 /nfs/dbraw/zinc/24/17/38/488241738.db2.gz RYUFPAKPYOQHTK-QMMMGPOBSA-N 1 2 243.257 1.359 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155026 488242353 /nfs/dbraw/zinc/24/23/53/488242353.db2.gz WKQVKACHQOYQMM-MWLCHTKSSA-N 1 2 233.315 1.360 20 0 BDADLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153688 488242741 /nfs/dbraw/zinc/24/27/41/488242741.db2.gz AUIDXFZQMPJMBY-WXHSDQCUSA-N 1 2 247.342 1.606 20 0 BDADLO CC(C)(C(=O)Nc1cn[nH]c1)c1c[nH+]c[nH]1 ZINC000683917474 488244195 /nfs/dbraw/zinc/24/41/95/488244195.db2.gz HXWXWWSBNRYSKI-UHFFFAOYSA-N 1 2 219.248 1.049 20 0 BDADLO CC(C)(C(=O)Nc1cn[nH]c1)c1c[nH]c[nH+]1 ZINC000683917474 488244197 /nfs/dbraw/zinc/24/41/97/488244197.db2.gz HXWXWWSBNRYSKI-UHFFFAOYSA-N 1 2 219.248 1.049 20 0 BDADLO CCn1cccc(C[NH2+]Cc2nccs2)c1=O ZINC000683931215 488247298 /nfs/dbraw/zinc/24/72/98/488247298.db2.gz WFCYYYKPWNJZTG-UHFFFAOYSA-N 1 2 249.339 1.615 20 0 BDADLO CCc1nnc(C[N@@H+](CCO)[C@H](C)CC)s1 ZINC000672568552 488260303 /nfs/dbraw/zinc/26/03/03/488260303.db2.gz YVUZMSIYVCDFSA-SECBINFHSA-N 1 2 243.376 1.693 20 0 BDADLO CCc1nnc(C[N@H+](CCO)[C@H](C)CC)s1 ZINC000672568552 488260305 /nfs/dbraw/zinc/26/03/05/488260305.db2.gz YVUZMSIYVCDFSA-SECBINFHSA-N 1 2 243.376 1.693 20 0 BDADLO C[C@H](NCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000672616544 488261945 /nfs/dbraw/zinc/26/19/45/488261945.db2.gz TYMAVDDSIDNWRQ-VIFPVBQESA-N 1 2 249.314 1.746 20 0 BDADLO Cc1noc(C[NH2+][C@H](C)c2cnccc2C)n1 ZINC000678544147 488265379 /nfs/dbraw/zinc/26/53/79/488265379.db2.gz LXBZLIFAHCEUJR-SECBINFHSA-N 1 2 232.287 1.932 20 0 BDADLO Cc1ccc(NC(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000684195812 488274884 /nfs/dbraw/zinc/27/48/84/488274884.db2.gz ORBVWXBDUVAGHN-UHFFFAOYSA-N 1 2 245.286 1.777 20 0 BDADLO Cn1cnc2cc(C[NH2+]Cc3cocn3)ccc21 ZINC000678730518 488279627 /nfs/dbraw/zinc/27/96/27/488279627.db2.gz ZEVFBQWEPSYDOM-UHFFFAOYSA-N 1 2 242.282 1.851 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N1CC(C)(F)C1 ZINC000684233669 488280355 /nfs/dbraw/zinc/28/03/55/488280355.db2.gz NYJFAAYZMJQCKT-UHFFFAOYSA-N 1 2 223.251 1.388 20 0 BDADLO COc1cccc(C[NH2+][C@H](C)c2nccn2C)n1 ZINC000678768940 488281264 /nfs/dbraw/zinc/28/12/64/488281264.db2.gz JVMYLOVYKMLGRZ-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO NC(=O)C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000673491082 488290221 /nfs/dbraw/zinc/29/02/21/488290221.db2.gz LKHAJFQKJPRTSG-SECBINFHSA-N 1 2 246.314 1.056 20 0 BDADLO CO[C@@H](C)c1noc(C[N@H+]2CC=CCC2)n1 ZINC000679322813 488336559 /nfs/dbraw/zinc/33/65/59/488336559.db2.gz DIRQAGPIQAWPSB-VIFPVBQESA-N 1 2 223.276 1.539 20 0 BDADLO CO[C@@H](C)c1noc(C[N@@H+]2CC=CCC2)n1 ZINC000679322813 488336560 /nfs/dbraw/zinc/33/65/60/488336560.db2.gz DIRQAGPIQAWPSB-VIFPVBQESA-N 1 2 223.276 1.539 20 0 BDADLO Cc1noc(CCCOCc2[nH]cc[nH+]2)n1 ZINC000679008949 488302903 /nfs/dbraw/zinc/30/29/03/488302903.db2.gz HFFUIRPYHZRHJJ-UHFFFAOYSA-N 1 2 222.248 1.251 20 0 BDADLO Cc1ccncc1C[NH2+]Cc1nnnn1C1CC1 ZINC000684380852 488303358 /nfs/dbraw/zinc/30/33/58/488303358.db2.gz CNCVOBFYVKFPMH-UHFFFAOYSA-N 1 2 244.302 1.001 20 0 BDADLO c1snnc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000684414807 488309394 /nfs/dbraw/zinc/30/93/94/488309394.db2.gz UKVUDBCOSOHSDV-MRVPVSSYSA-N 1 2 225.317 1.006 20 0 BDADLO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1)C(F)F ZINC000684414901 488309524 /nfs/dbraw/zinc/30/95/24/488309524.db2.gz VZCLUZXVILHMRT-UHFFFAOYSA-N 1 2 242.269 1.919 20 0 BDADLO O=C(Nc1ccc2[nH+]ccn2c1)C1=CCOCC1 ZINC000684440930 488313357 /nfs/dbraw/zinc/31/33/57/488313357.db2.gz ROYQNHJFQUBKOQ-UHFFFAOYSA-N 1 2 243.266 1.620 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000684446081 488314070 /nfs/dbraw/zinc/31/40/70/488314070.db2.gz GYUOAQQTKQKZAW-RKDXNWHRSA-N 1 2 235.287 1.031 20 0 BDADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000684446081 488314072 /nfs/dbraw/zinc/31/40/72/488314072.db2.gz GYUOAQQTKQKZAW-RKDXNWHRSA-N 1 2 235.287 1.031 20 0 BDADLO Cc1cc(N2CC[C@@H](C)[C@H](F)C2)nc[nH+]1 ZINC000679192657 488316000 /nfs/dbraw/zinc/31/60/00/488316000.db2.gz OQCRAWMGULLIKK-PSASIEDQSA-N 1 2 209.268 1.969 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC000684467677 488317175 /nfs/dbraw/zinc/31/71/75/488317175.db2.gz FXEUPWAMUVLISR-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC000684467677 488317177 /nfs/dbraw/zinc/31/71/77/488317177.db2.gz FXEUPWAMUVLISR-SECBINFHSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@@H]1C[C@@H](C)N1c1cc(-n2cc[nH+]c2)ncn1 ZINC000684592099 488329483 /nfs/dbraw/zinc/32/94/83/488329483.db2.gz FOQJXINFDDQFOT-NXEZZACHSA-N 1 2 229.287 1.649 20 0 BDADLO COc1cccc(NC(=O)C[N@H+]2CC=CCC2)c1 ZINC000679324499 488337632 /nfs/dbraw/zinc/33/76/32/488337632.db2.gz USHUWTCVUMOTCW-UHFFFAOYSA-N 1 2 246.310 1.896 20 0 BDADLO COc1cccc(NC(=O)C[N@@H+]2CC=CCC2)c1 ZINC000679324499 488337635 /nfs/dbraw/zinc/33/76/35/488337635.db2.gz USHUWTCVUMOTCW-UHFFFAOYSA-N 1 2 246.310 1.896 20 0 BDADLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)n[nH]1 ZINC000684821026 488346443 /nfs/dbraw/zinc/34/64/43/488346443.db2.gz LQDJPSBXOCDUNS-UHFFFAOYSA-N 1 2 241.254 1.618 20 0 BDADLO CC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)CO1 ZINC000668284435 490085983 /nfs/dbraw/zinc/08/59/83/490085983.db2.gz MJMSZIMJYFHFKQ-WCQYABFASA-N 1 2 249.358 1.829 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC000659851310 490093457 /nfs/dbraw/zinc/09/34/57/490093457.db2.gz FHCFIRZXRAKLAV-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nc(C)oc1C ZINC000659851310 490093460 /nfs/dbraw/zinc/09/34/60/490093460.db2.gz FHCFIRZXRAKLAV-NSHDSACASA-N 1 2 237.303 1.002 20 0 BDADLO O=C1[C@@H]([N@H+]2CC=CCC2)CCN1CC(F)(F)F ZINC000679322393 490112855 /nfs/dbraw/zinc/11/28/55/490112855.db2.gz HXWVACAZJVATDO-VIFPVBQESA-N 1 2 248.248 1.412 20 0 BDADLO C[C@@H](C1CC1)[N@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486565 490144731 /nfs/dbraw/zinc/14/47/31/490144731.db2.gz CLTNZGNRANOAGN-VIFPVBQESA-N 1 2 237.351 1.658 20 0 BDADLO C[C@@H](C1CC1)[N@@H+](C)Cc1nnn(C(C)(C)C)n1 ZINC000653486565 490144738 /nfs/dbraw/zinc/14/47/38/490144738.db2.gz CLTNZGNRANOAGN-VIFPVBQESA-N 1 2 237.351 1.658 20 0 BDADLO O=C(C[N@H+]1CCC[C@H](O)C1)c1ccccc1F ZINC000050152834 490196366 /nfs/dbraw/zinc/19/63/66/490196366.db2.gz AHNMLWCLKMJVRQ-JTQLQIEISA-N 1 2 237.274 1.465 20 0 BDADLO O=C(C[N@@H+]1CCC[C@H](O)C1)c1ccccc1F ZINC000050152834 490196375 /nfs/dbraw/zinc/19/63/75/490196375.db2.gz AHNMLWCLKMJVRQ-JTQLQIEISA-N 1 2 237.274 1.465 20 0 BDADLO O=C(C[N@@H+]1CCC12CCCC2)Nc1ccon1 ZINC000649655597 490199309 /nfs/dbraw/zinc/19/93/09/490199309.db2.gz HVVYGOSNLNELIO-UHFFFAOYSA-N 1 2 235.287 1.054 20 0 BDADLO O=C(C[N@H+]1CCC12CCCC2)Nc1ccon1 ZINC000649655597 490199312 /nfs/dbraw/zinc/19/93/12/490199312.db2.gz HVVYGOSNLNELIO-UHFFFAOYSA-N 1 2 235.287 1.054 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000665722451 490210785 /nfs/dbraw/zinc/21/07/85/490210785.db2.gz AAHNBPDYLIAGCV-PSASIEDQSA-N 1 2 234.303 1.010 20 0 BDADLO C[C@@H]1[C@H](O)CCN1c1cc(NC2CC2)nc[nH+]1 ZINC000665722451 490210795 /nfs/dbraw/zinc/21/07/95/490210795.db2.gz AAHNBPDYLIAGCV-PSASIEDQSA-N 1 2 234.303 1.010 20 0 BDADLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000065281489 490251360 /nfs/dbraw/zinc/25/13/60/490251360.db2.gz GZRTXVBPEFVWRX-BDAKNGLRSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1nnc([C@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000065281489 490251369 /nfs/dbraw/zinc/25/13/69/490251369.db2.gz GZRTXVBPEFVWRX-BDAKNGLRSA-N 1 2 239.319 1.938 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](F)C3)ccn12 ZINC000655127313 490255945 /nfs/dbraw/zinc/25/59/45/490255945.db2.gz GTNHLLKFXNOWMP-LLVKDONJSA-N 1 2 247.273 1.827 20 0 BDADLO c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)[nH]n1 ZINC000655812043 490259143 /nfs/dbraw/zinc/25/91/43/490259143.db2.gz NEAAUYZYRMODHC-STQMWFEESA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000130338053 490376890 /nfs/dbraw/zinc/37/68/90/490376890.db2.gz PZQOWHPYUMXMLO-GFCCVEGCSA-N 1 2 235.331 1.922 20 0 BDADLO CCn1ncnc1C[NH2+]Cc1ccoc1 ZINC000130650359 490433571 /nfs/dbraw/zinc/43/35/71/490433571.db2.gz VCGGIKOOFBEUMX-UHFFFAOYSA-N 1 2 206.249 1.181 20 0 BDADLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)C1CC1 ZINC000079769401 490461771 /nfs/dbraw/zinc/46/17/71/490461771.db2.gz VZDYOKVUOOKASA-SECBINFHSA-N 1 2 245.273 1.481 20 0 BDADLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)C1CC1 ZINC000079769401 490461784 /nfs/dbraw/zinc/46/17/84/490461784.db2.gz VZDYOKVUOOKASA-SECBINFHSA-N 1 2 245.273 1.481 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]2CCC[C@H]21 ZINC000074034099 490474521 /nfs/dbraw/zinc/47/45/21/490474521.db2.gz PWCBRMDUACYIDY-VXGBXAGGSA-N 1 2 233.315 1.674 20 0 BDADLO CC[C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000074087435 490476498 /nfs/dbraw/zinc/47/64/98/490476498.db2.gz MJZVQWNDSCYXFE-WDEREUQCSA-N 1 2 223.320 1.824 20 0 BDADLO Cc1cc(NC(=O)N(C)C[C@@H](O)C2CC2)cc[nH+]1 ZINC000305737982 490488226 /nfs/dbraw/zinc/48/82/26/490488226.db2.gz QNPBEABCQZSCKN-GFCCVEGCSA-N 1 2 249.314 1.625 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCCC1 ZINC000074727044 490500724 /nfs/dbraw/zinc/50/07/24/490500724.db2.gz MZVBOZHHFUEUCJ-UHFFFAOYSA-N 1 2 221.304 1.745 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCCC1 ZINC000074727044 490500730 /nfs/dbraw/zinc/50/07/30/490500730.db2.gz MZVBOZHHFUEUCJ-UHFFFAOYSA-N 1 2 221.304 1.745 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)CCCF ZINC000668746892 490656573 /nfs/dbraw/zinc/65/65/73/490656573.db2.gz YNTAJWNLOLYOLQ-UHFFFAOYSA-N 1 2 210.252 1.754 20 0 BDADLO CCc1cc(NCCc2nc[nH]n2)nc(C)[nH+]1 ZINC000088760471 491108444 /nfs/dbraw/zinc/10/84/44/491108444.db2.gz FVHYKNPYNMWDOM-UHFFFAOYSA-N 1 2 232.291 1.120 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665869698 491109316 /nfs/dbraw/zinc/10/93/16/491109316.db2.gz KNMRLAAAZYKJHD-GXSJLCMTSA-N 1 2 247.342 1.772 20 0 BDADLO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665869698 491109318 /nfs/dbraw/zinc/10/93/18/491109318.db2.gz KNMRLAAAZYKJHD-GXSJLCMTSA-N 1 2 247.342 1.772 20 0 BDADLO Cc1ccc(C[N@@H+](C)Cc2ncnn2C)cc1 ZINC000075024307 491124509 /nfs/dbraw/zinc/12/45/09/491124509.db2.gz YYVCPXOCGGASAS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1ccc(C[N@H+](C)Cc2ncnn2C)cc1 ZINC000075024307 491124510 /nfs/dbraw/zinc/12/45/10/491124510.db2.gz YYVCPXOCGGASAS-UHFFFAOYSA-N 1 2 230.315 1.756 20 0 BDADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)nn1C ZINC000133396162 491152672 /nfs/dbraw/zinc/15/26/72/491152672.db2.gz YZNLIJVPLVWYSU-UHFFFAOYSA-N 1 2 247.302 1.344 20 0 BDADLO Cc1nnc(C[NH2+]Cc2ccc(O)cc2)s1 ZINC000309717450 491154926 /nfs/dbraw/zinc/15/49/26/491154926.db2.gz UNEREOWWQBXEAA-UHFFFAOYSA-N 1 2 235.312 1.842 20 0 BDADLO CC[C@@H](C)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000134312262 491163017 /nfs/dbraw/zinc/16/30/17/491163017.db2.gz LLPWRNATUYWBBN-SNVBAGLBSA-N 1 2 223.320 1.721 20 0 BDADLO CSCC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000890875181 582584786 /nfs/dbraw/zinc/58/47/86/582584786.db2.gz CSESJDCSSFCJGA-UHFFFAOYSA-N 1 2 241.360 1.531 20 0 BDADLO Cc1ccc(CCNC(=O)C=Cc2c[nH]c[nH+]2)o1 ZINC000493545666 533790252 /nfs/dbraw/zinc/79/02/52/533790252.db2.gz DBMHRJFHCVZJDN-HYXAFXHYSA-N 1 2 245.282 1.683 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000891197898 582623974 /nfs/dbraw/zinc/62/39/74/582623974.db2.gz QLLMHPAKIXIMTH-LQKKCHKWSA-N 1 2 225.679 1.382 20 0 BDADLO O=C(NC/C=C\Cl)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000891197898 582623977 /nfs/dbraw/zinc/62/39/77/582623977.db2.gz QLLMHPAKIXIMTH-LQKKCHKWSA-N 1 2 225.679 1.382 20 0 BDADLO Cc1ccc(C[NH+]2CC3(C2)CNC(=O)O3)cc1C ZINC000496473222 533912758 /nfs/dbraw/zinc/91/27/58/533912758.db2.gz VGCNOHWZGBMPSB-UHFFFAOYSA-N 1 2 246.310 1.598 20 0 BDADLO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1Cl ZINC000846112472 582650769 /nfs/dbraw/zinc/65/07/69/582650769.db2.gz CTQQVWAVSUCMNC-OCAPTIKFSA-N 1 2 247.676 1.770 20 0 BDADLO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1Cl ZINC000846112472 582650772 /nfs/dbraw/zinc/65/07/72/582650772.db2.gz CTQQVWAVSUCMNC-OCAPTIKFSA-N 1 2 247.676 1.770 20 0 BDADLO COC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC000496971882 534002510 /nfs/dbraw/zinc/00/25/10/534002510.db2.gz CMAPBEXHUKPBDY-UHFFFAOYSA-N 1 2 244.335 1.043 20 0 BDADLO COC(=O)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000494102388 534004653 /nfs/dbraw/zinc/00/46/53/534004653.db2.gz QKVWGBLWPFXOJI-UHFFFAOYSA-N 1 2 249.314 1.274 20 0 BDADLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(OC)o1 ZINC000891612052 582701543 /nfs/dbraw/zinc/70/15/43/582701543.db2.gz JEDYLTHOAXAYIJ-UHFFFAOYSA-N 1 2 240.303 1.198 20 0 BDADLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(OC)o1 ZINC000891612052 582701545 /nfs/dbraw/zinc/70/15/45/582701545.db2.gz JEDYLTHOAXAYIJ-UHFFFAOYSA-N 1 2 240.303 1.198 20 0 BDADLO C[C@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493293862 534167899 /nfs/dbraw/zinc/16/78/99/534167899.db2.gz MCMXKOLKIVSCNQ-PORFMDCZSA-N 1 2 219.288 1.824 20 0 BDADLO Cc1nn(C)c(C[N@H+](C)[C@H]2CCOC2)c1Cl ZINC000891936374 582740916 /nfs/dbraw/zinc/74/09/16/582740916.db2.gz XOKYWYRFYDBFMJ-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO Cc1nn(C)c(C[N@@H+](C)[C@H]2CCOC2)c1Cl ZINC000891936374 582740918 /nfs/dbraw/zinc/74/09/18/582740918.db2.gz XOKYWYRFYDBFMJ-VIFPVBQESA-N 1 2 243.738 1.603 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\C(C)(C)C ZINC000493305458 534272007 /nfs/dbraw/zinc/27/20/07/534272007.db2.gz SIFKAWDFTIGYLS-GZTOBOFZSA-N 1 2 235.331 1.990 20 0 BDADLO CCc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000285800338 536126438 /nfs/dbraw/zinc/12/64/38/536126438.db2.gz YDPMSTMGDWYHJD-QWRGUYRKSA-N 1 2 235.331 1.961 20 0 BDADLO O=C(NCCNc1cccc[nH+]1)OCCCF ZINC000496732268 534359447 /nfs/dbraw/zinc/35/94/47/534359447.db2.gz FXOJSURGMNLKQR-UHFFFAOYSA-N 1 2 241.266 1.579 20 0 BDADLO Cc1nc(N(C)[C@H](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488369054 534434924 /nfs/dbraw/zinc/43/49/24/534434924.db2.gz OTLRDRCTVPKRED-SECBINFHSA-N 1 2 237.351 1.727 20 0 BDADLO Cc1nc(N(C)C)nc(N(C)[C@H](C)C(C)C)[nH+]1 ZINC000488369054 534434930 /nfs/dbraw/zinc/43/49/30/534434930.db2.gz OTLRDRCTVPKRED-SECBINFHSA-N 1 2 237.351 1.727 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1CCSCC1 ZINC000493103939 534786967 /nfs/dbraw/zinc/78/69/67/534786967.db2.gz ISMHGQGEWXVXKT-OWOJBTEDSA-N 1 2 237.328 1.435 20 0 BDADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCOCC2(CC2)C1 ZINC000493761941 534786996 /nfs/dbraw/zinc/78/69/96/534786996.db2.gz WJLNXAQBMOMSIQ-OWOJBTEDSA-N 1 2 247.298 1.062 20 0 BDADLO CC(=O)N1CC[N@H+](Cc2cncc(C)c2)[C@@H](C)C1 ZINC000336171071 534796836 /nfs/dbraw/zinc/79/68/36/534796836.db2.gz BPJYSORUHTUWMN-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO CC(=O)N1CC[N@@H+](Cc2cncc(C)c2)[C@@H](C)C1 ZINC000336171071 534796844 /nfs/dbraw/zinc/79/68/44/534796844.db2.gz BPJYSORUHTUWMN-LBPRGKRZSA-N 1 2 247.342 1.443 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](F)C1 ZINC000493134230 534800847 /nfs/dbraw/zinc/80/08/47/534800847.db2.gz UZLOWHIYLWAJEB-TYRPZCRBSA-N 1 2 223.251 1.383 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](F)C1 ZINC000493616210 534803100 /nfs/dbraw/zinc/80/31/00/534803100.db2.gz NXAVVTOCMQJERC-HNRDENNGSA-N 1 2 223.251 1.430 20 0 BDADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccccn1 ZINC000493699679 534805303 /nfs/dbraw/zinc/80/53/03/534805303.db2.gz WJUBFABVKCRCEO-PLNGDYQASA-N 1 2 214.228 1.457 20 0 BDADLO O=C1OCC[C@@H]2C[N@H+](CC3(F)CC3)CCN12 ZINC000496178723 534809940 /nfs/dbraw/zinc/80/99/40/534809940.db2.gz NPPBWHQXZZNTMX-SECBINFHSA-N 1 2 228.267 1.015 20 0 BDADLO O=C1OCC[C@@H]2C[N@@H+](CC3(F)CC3)CCN12 ZINC000496178723 534809942 /nfs/dbraw/zinc/80/99/42/534809942.db2.gz NPPBWHQXZZNTMX-SECBINFHSA-N 1 2 228.267 1.015 20 0 BDADLO CCC[C@H](O)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892501603 582899124 /nfs/dbraw/zinc/89/91/24/582899124.db2.gz DIZVYNNMQPJORS-UWVGGRQHSA-N 1 2 224.304 1.708 20 0 BDADLO CC(C)c1nc(N2CC[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000302362165 534909346 /nfs/dbraw/zinc/90/93/46/534909346.db2.gz DBUBYDJRXCHQCB-QWRGUYRKSA-N 1 2 235.331 1.807 20 0 BDADLO CC(C)(O)[C@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493534105 527359844 /nfs/dbraw/zinc/35/98/44/527359844.db2.gz YQPVBPXXEOBPTB-BRAIEQGRSA-N 1 2 249.314 1.185 20 0 BDADLO CCO[C@@H]1CCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493437620 527745671 /nfs/dbraw/zinc/74/56/71/527745671.db2.gz WFWXMAFTMDIHKB-UXFRKABBSA-N 1 2 249.314 1.497 20 0 BDADLO CCN(CC)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488157312 528018837 /nfs/dbraw/zinc/01/88/37/528018837.db2.gz CAJBCNPMRYYZKO-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCN(CC)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488157312 528018843 /nfs/dbraw/zinc/01/88/43/528018843.db2.gz CAJBCNPMRYYZKO-NSHDSACASA-N 1 2 242.363 1.354 20 0 BDADLO CCO[C@H]1C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493234876 528075592 /nfs/dbraw/zinc/07/55/92/528075592.db2.gz POFKLODHKASBIG-LDYOUVJNSA-N 1 2 235.287 1.107 20 0 BDADLO CC(C)O[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493230895 528076743 /nfs/dbraw/zinc/07/67/43/528076743.db2.gz XLZNOVUHOPTRHN-ROUHBEFFSA-N 1 2 249.314 1.495 20 0 BDADLO CC1=CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493294992 528109152 /nfs/dbraw/zinc/10/91/52/528109152.db2.gz XIGKMWQKGQVVKT-IHWYPQMZSA-N 1 2 217.272 1.602 20 0 BDADLO CC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492871687 528213160 /nfs/dbraw/zinc/21/31/60/528213160.db2.gz XTVVEWOZIQPYTF-IHWYPQMZSA-N 1 2 219.288 1.681 20 0 BDADLO CC(C)c1nc(NCCn2cccc2)cc[nH+]1 ZINC000487684550 528363839 /nfs/dbraw/zinc/36/38/39/528363839.db2.gz FZNHOHRKNDCVDS-UHFFFAOYSA-N 1 2 230.315 1.936 20 0 BDADLO CCCC[N@H+](CC(N)=O)Cc1conc1CC ZINC000507564268 528379651 /nfs/dbraw/zinc/37/96/51/528379651.db2.gz HPBODNAGPIOUJB-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO CCCC[N@@H+](CC(N)=O)Cc1conc1CC ZINC000507564268 528379654 /nfs/dbraw/zinc/37/96/54/528379654.db2.gz HPBODNAGPIOUJB-UHFFFAOYSA-N 1 2 239.319 1.324 20 0 BDADLO CCO/C=C/C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000493113384 528461825 /nfs/dbraw/zinc/46/18/25/528461825.db2.gz GCRRLKQVYRKIKF-FZPLPXEFSA-N 1 2 249.314 1.666 20 0 BDADLO CC[N@H+](CCF)C1CN(C(=O)OC(C)(C)C)C1 ZINC000494153983 528474122 /nfs/dbraw/zinc/47/41/22/528474122.db2.gz JGSODVUZRJKUTB-UHFFFAOYSA-N 1 2 246.326 1.897 20 0 BDADLO CC[N@@H+](CCF)C1CN(C(=O)OC(C)(C)C)C1 ZINC000494153983 528474128 /nfs/dbraw/zinc/47/41/28/528474128.db2.gz JGSODVUZRJKUTB-UHFFFAOYSA-N 1 2 246.326 1.897 20 0 BDADLO CCO/C=C\C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000493268573 528517288 /nfs/dbraw/zinc/51/72/88/528517288.db2.gz VODXIVCTQQRKFX-GWZUUTHWSA-N 1 2 249.314 1.286 20 0 BDADLO CCCc1cc(=NC(=O)/C=C/c2[nH]cc[nH+]2)[nH][nH]1 ZINC000493702462 528563127 /nfs/dbraw/zinc/56/31/27/528563127.db2.gz BTKMOQSFDSYOGP-SNAWJCMRSA-N 1 2 245.286 1.159 20 0 BDADLO CC(C)N(C(=O)/C=C\c1[nH]cc[nH+]1)C1COC1 ZINC000493790315 528766184 /nfs/dbraw/zinc/76/61/84/528766184.db2.gz MQRFFADJHOGTSA-ARJAWSKDSA-N 1 2 235.287 1.059 20 0 BDADLO CC1(C)C(NC(=O)C=Cc2c[nH]c[nH+]2)C1(C)C ZINC000492894588 528875006 /nfs/dbraw/zinc/87/50/06/528875006.db2.gz HHHXDXJKGDKSAC-AATRIKPKSA-N 1 2 233.315 1.974 20 0 BDADLO CCC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493104938 529118288 /nfs/dbraw/zinc/11/82/88/529118288.db2.gz KUIPJYCPOXTIQC-ONEGZZNKSA-N 1 2 219.288 1.729 20 0 BDADLO CC[C@@H]1CCCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000488383722 529302437 /nfs/dbraw/zinc/30/24/37/529302437.db2.gz XPJOSFHXBKYVBX-SNVBAGLBSA-N 1 2 235.335 1.625 20 0 BDADLO CC[C@@H]1CCCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000488383722 529302439 /nfs/dbraw/zinc/30/24/39/529302439.db2.gz XPJOSFHXBKYVBX-SNVBAGLBSA-N 1 2 235.335 1.625 20 0 BDADLO CC[C@H]1COCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492813586 529306492 /nfs/dbraw/zinc/30/64/92/529306492.db2.gz PTDLFGWGQLIHRT-BYCRGOAPSA-N 1 2 235.287 1.060 20 0 BDADLO CC[C@H]1COCC[N@@H+]1Cc1ccnc(C)n1 ZINC000507579546 529308927 /nfs/dbraw/zinc/30/89/27/529308927.db2.gz DMJVGDWUDOOFAH-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC[C@H]1COCC[N@H+]1Cc1ccnc(C)n1 ZINC000507579546 529308929 /nfs/dbraw/zinc/30/89/29/529308929.db2.gz DMJVGDWUDOOFAH-LBPRGKRZSA-N 1 2 221.304 1.396 20 0 BDADLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@H]1CCCCO1 ZINC000335937776 534942691 /nfs/dbraw/zinc/94/26/91/534942691.db2.gz OXYBLZJPNHKYNG-BDJLRTHQSA-N 1 2 245.388 1.398 20 0 BDADLO CC1(C)C[S@](=O)CC[N@H+]1C[C@H]1CCCCO1 ZINC000335937776 534942692 /nfs/dbraw/zinc/94/26/92/534942692.db2.gz OXYBLZJPNHKYNG-BDJLRTHQSA-N 1 2 245.388 1.398 20 0 BDADLO CC(C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000158229683 534990590 /nfs/dbraw/zinc/99/05/90/534990590.db2.gz XGBZQANOHGJDMX-JTQLQIEISA-N 1 2 221.304 1.312 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000172776583 535215875 /nfs/dbraw/zinc/21/58/75/535215875.db2.gz CRUXHNMDDWLEPK-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000172776583 535215880 /nfs/dbraw/zinc/21/58/80/535215880.db2.gz CRUXHNMDDWLEPK-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCC1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCC1 ZINC000263049406 535291333 /nfs/dbraw/zinc/29/13/33/535291333.db2.gz UKDKOBHIVLTZPV-VIFPVBQESA-N 1 2 246.301 1.680 20 0 BDADLO CC[N@@H+](Cc1ncnn1C(C)C)C[C@H](C)O ZINC000352229691 535394746 /nfs/dbraw/zinc/39/47/46/535394746.db2.gz GBNMAPAUEIXIRP-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC[N@H+](Cc1ncnn1C(C)C)C[C@H](C)O ZINC000352229691 535394747 /nfs/dbraw/zinc/39/47/47/535394747.db2.gz GBNMAPAUEIXIRP-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC[N@H+](Cc1noc(C(C)C)n1)CC(C)(C)O ZINC000078747927 535397319 /nfs/dbraw/zinc/39/73/19/535397319.db2.gz RDIZXHODZMINFM-UHFFFAOYSA-N 1 2 241.335 1.786 20 0 BDADLO CC[N@@H+](Cc1noc(C(C)C)n1)CC(C)(C)O ZINC000078747927 535397323 /nfs/dbraw/zinc/39/73/23/535397323.db2.gz RDIZXHODZMINFM-UHFFFAOYSA-N 1 2 241.335 1.786 20 0 BDADLO CC[C@@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000262300293 535436230 /nfs/dbraw/zinc/43/62/30/535436230.db2.gz AHZQKODVBKSLAK-NSHDSACASA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@@H](C(=O)[O-])[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000262300293 535436233 /nfs/dbraw/zinc/43/62/33/535436233.db2.gz AHZQKODVBKSLAK-NSHDSACASA-N 1 2 237.303 1.452 20 0 BDADLO CCOC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000132530538 535603850 /nfs/dbraw/zinc/60/38/50/535603850.db2.gz WSXXLWNGWZYLRV-UTUOFQBUSA-N 1 2 243.347 1.683 20 0 BDADLO CCOCC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000154817999 535624435 /nfs/dbraw/zinc/62/44/35/535624435.db2.gz WBEOHSPORAZYDI-UHFFFAOYSA-N 1 2 243.347 1.879 20 0 BDADLO CCOC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352017367 535673421 /nfs/dbraw/zinc/67/34/21/535673421.db2.gz GIAIOMCVUKFJAB-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO CCOC(=O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352017367 535673424 /nfs/dbraw/zinc/67/34/24/535673424.db2.gz GIAIOMCVUKFJAB-MRVPVSSYSA-N 1 2 221.247 1.527 20 0 BDADLO CCO[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301222606 535744882 /nfs/dbraw/zinc/74/48/82/535744882.db2.gz BLQUUAPKZXXTBM-LLVKDONJSA-N 1 2 221.304 1.790 20 0 BDADLO CC[C@@H](NC(=O)CCCC(C)=O)c1[nH]cc[nH+]1 ZINC000351968814 535784930 /nfs/dbraw/zinc/78/49/30/535784930.db2.gz MDWFJBSGPMBKAN-SNVBAGLBSA-N 1 2 237.303 1.736 20 0 BDADLO CC[C@@H](NC(=O)c1cc[nH]c1C)c1[nH]cc[nH+]1 ZINC000347942474 535799821 /nfs/dbraw/zinc/79/98/21/535799821.db2.gz CVVLBZGHQFWSRM-SNVBAGLBSA-N 1 2 232.287 1.927 20 0 BDADLO CC[C@@H](NC(=O)c1cn(C)cn1)c1[nH]cc[nH+]1 ZINC000218081725 535801483 /nfs/dbraw/zinc/80/14/83/535801483.db2.gz KCJDOLKXCWVOAS-MRVPVSSYSA-N 1 2 233.275 1.024 20 0 BDADLO CCn1nccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334353233 535869254 /nfs/dbraw/zinc/86/92/54/535869254.db2.gz XZWARAJLEIDDME-CHWSQXEVSA-N 1 2 235.331 1.656 20 0 BDADLO CCn1nccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000334353233 535869258 /nfs/dbraw/zinc/86/92/58/535869258.db2.gz XZWARAJLEIDDME-CHWSQXEVSA-N 1 2 235.331 1.656 20 0 BDADLO CC[C@H]([NH2+]CCOCC(F)(F)F)C(=O)OC ZINC000168357892 535902928 /nfs/dbraw/zinc/90/29/28/535902928.db2.gz VNBUXENLPYQHSO-ZETCQYMHSA-N 1 2 243.225 1.107 20 0 BDADLO CC[C@@]1(O)CC[N@H+](Cc2nn(C)cc2Cl)C1 ZINC000335393878 536087384 /nfs/dbraw/zinc/08/73/84/536087384.db2.gz AEVKIIWLNUXEII-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@@]1(O)CC[N@@H+](Cc2nn(C)cc2Cl)C1 ZINC000335393878 536087390 /nfs/dbraw/zinc/08/73/90/536087390.db2.gz AEVKIIWLNUXEII-LLVKDONJSA-N 1 2 243.738 1.420 20 0 BDADLO CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262393908 536099316 /nfs/dbraw/zinc/09/93/16/536099316.db2.gz NDJYPFUJXKFSSW-NXEZZACHSA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262393908 536099317 /nfs/dbraw/zinc/09/93/17/536099317.db2.gz NDJYPFUJXKFSSW-NXEZZACHSA-N 1 2 237.303 1.452 20 0 BDADLO CC[C@H](CSC)[NH2+][C@H](CC)C(=O)OC ZINC000183869714 536127249 /nfs/dbraw/zinc/12/72/49/536127249.db2.gz RXGPIONDUBTKDN-RKDXNWHRSA-N 1 2 219.350 1.669 20 0 BDADLO CC[C@H](NC(=O)CCCC(C)=O)c1[nH]cc[nH+]1 ZINC000351968813 536156011 /nfs/dbraw/zinc/15/60/11/536156011.db2.gz MDWFJBSGPMBKAN-JTQLQIEISA-N 1 2 237.303 1.736 20 0 BDADLO C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000084215958 536344720 /nfs/dbraw/zinc/34/47/20/536344720.db2.gz IAONFDYUWWRLCP-DGCLKSJQSA-N 1 2 225.380 1.188 20 0 BDADLO CO[C@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234833263 536712543 /nfs/dbraw/zinc/71/25/43/536712543.db2.gz XGQYCDRMZMVZAO-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO CO[C@H]1CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000234833263 536712549 /nfs/dbraw/zinc/71/25/49/536712549.db2.gz XGQYCDRMZMVZAO-ZETCQYMHSA-N 1 2 242.710 1.327 20 0 BDADLO C[C@@H](CNc1cccc([C@H](C)O)[nH+]1)C[C@H](C)O ZINC000892644026 582937418 /nfs/dbraw/zinc/93/74/18/582937418.db2.gz AEKNHSLIFRIODO-VWYCJHECSA-N 1 2 238.331 1.954 20 0 BDADLO Cc1cnc(C[NH2+]Cc2cnn3ccccc23)o1 ZINC000236001489 537907759 /nfs/dbraw/zinc/90/77/59/537907759.db2.gz HTXWONYSYCFUBB-UHFFFAOYSA-N 1 2 242.282 1.921 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)Nc1ncccc1O ZINC000188890619 566298409 /nfs/dbraw/zinc/29/84/09/566298409.db2.gz CDYYUQISPLQLCV-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)Nc1ncccc1O ZINC000188890619 566298419 /nfs/dbraw/zinc/29/84/19/566298419.db2.gz CDYYUQISPLQLCV-UHFFFAOYSA-N 1 2 232.243 1.082 20 0 BDADLO O=C(CC1CC1)N1CCn2c[nH+]cc2C1 ZINC000290983959 566386552 /nfs/dbraw/zinc/38/65/52/566386552.db2.gz VZYDUHLOQOKRMX-UHFFFAOYSA-N 1 2 205.261 1.025 20 0 BDADLO Cc1noc(C)c1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000352151409 566473143 /nfs/dbraw/zinc/47/31/43/566473143.db2.gz YIFZYYQPGXSMFO-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO Cc1noc(C)c1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000352151409 566473153 /nfs/dbraw/zinc/47/31/53/566473153.db2.gz YIFZYYQPGXSMFO-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO CCOCC[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000893426664 583141692 /nfs/dbraw/zinc/14/16/92/583141692.db2.gz HTFPEOYCVWXYKJ-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CCOCC[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000893426664 583141695 /nfs/dbraw/zinc/14/16/95/583141695.db2.gz HTFPEOYCVWXYKJ-UHFFFAOYSA-N 1 2 245.754 1.850 20 0 BDADLO CCC1(CNC(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000893479600 583151404 /nfs/dbraw/zinc/15/14/04/583151404.db2.gz WSRPWBMUIHFBNV-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO C[C@@H](O)CCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893561827 583164264 /nfs/dbraw/zinc/16/42/64/583164264.db2.gz NAFHSVWDZIHENT-NXEZZACHSA-N 1 2 224.304 1.708 20 0 BDADLO C[C@H](CCO)CCNc1cc(N(C)C)nc[nH+]1 ZINC000894015527 583276292 /nfs/dbraw/zinc/27/62/92/583276292.db2.gz ONUXBJVNJQHKNQ-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO C[C@H](CCO)CCNc1cc(N(C)C)[nH+]cn1 ZINC000894015527 583276294 /nfs/dbraw/zinc/27/62/94/583276294.db2.gz ONUXBJVNJQHKNQ-JTQLQIEISA-N 1 2 238.335 1.363 20 0 BDADLO COC(=O)c1cnc(C[N@@H+]2CCC[C@@H]2C)s1 ZINC000894020574 583274860 /nfs/dbraw/zinc/27/48/60/583274860.db2.gz IGLFYGIBJVUNKW-QMMMGPOBSA-N 1 2 240.328 1.914 20 0 BDADLO COC(=O)c1cnc(C[N@H+]2CCC[C@@H]2C)s1 ZINC000894020574 583274863 /nfs/dbraw/zinc/27/48/63/583274863.db2.gz IGLFYGIBJVUNKW-QMMMGPOBSA-N 1 2 240.328 1.914 20 0 BDADLO C[C@H](NC(=S)NC1(C)CC1)c1[nH+]ccn1C ZINC000853044387 588717554 /nfs/dbraw/zinc/71/75/54/588717554.db2.gz ITNPKCYKFREKBA-QMMMGPOBSA-N 1 2 238.360 1.498 20 0 BDADLO C[C@H](CNc1cnc(F)cn1)Cn1cc[nH+]c1 ZINC000853188971 588723883 /nfs/dbraw/zinc/72/38/83/588723883.db2.gz JXJLFYWENZWNAM-SECBINFHSA-N 1 2 235.266 1.560 20 0 BDADLO Cc1nn(C[N@H+]2CC[C@@H](C(C)C)C2)c(=O)o1 ZINC000853501858 588746125 /nfs/dbraw/zinc/74/61/25/588746125.db2.gz LRIJDIYJVIUATA-SNVBAGLBSA-N 1 2 225.292 1.080 20 0 BDADLO Cc1nn(C[N@@H+]2CC[C@@H](C(C)C)C2)c(=O)o1 ZINC000853501858 588746126 /nfs/dbraw/zinc/74/61/26/588746126.db2.gz LRIJDIYJVIUATA-SNVBAGLBSA-N 1 2 225.292 1.080 20 0 BDADLO CC[C@@H]1CCC[N@H+](Cn2nc(C)oc2=O)C1 ZINC000853489264 588745418 /nfs/dbraw/zinc/74/54/18/588745418.db2.gz LVWCHBCKVXSQJM-SNVBAGLBSA-N 1 2 225.292 1.224 20 0 BDADLO CC[C@@H]1CCC[N@@H+](Cn2nc(C)oc2=O)C1 ZINC000853489264 588745419 /nfs/dbraw/zinc/74/54/19/588745419.db2.gz LVWCHBCKVXSQJM-SNVBAGLBSA-N 1 2 225.292 1.224 20 0 BDADLO CCCC[N@H+](Cn1nc(C)oc1=O)C1CC1 ZINC000853489280 588745668 /nfs/dbraw/zinc/74/56/68/588745668.db2.gz MLYWYFXJUJKEHY-UHFFFAOYSA-N 1 2 225.292 1.367 20 0 BDADLO CCCC[N@@H+](Cn1nc(C)oc1=O)C1CC1 ZINC000853489280 588745669 /nfs/dbraw/zinc/74/56/69/588745669.db2.gz MLYWYFXJUJKEHY-UHFFFAOYSA-N 1 2 225.292 1.367 20 0 BDADLO COCC[N@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853492156 588745806 /nfs/dbraw/zinc/74/58/06/588745806.db2.gz ZAYZNFMYTBWBED-UHFFFAOYSA-N 1 2 243.738 1.950 20 0 BDADLO COCC[N@@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853492156 588745807 /nfs/dbraw/zinc/74/58/07/588745807.db2.gz ZAYZNFMYTBWBED-UHFFFAOYSA-N 1 2 243.738 1.950 20 0 BDADLO CC[C@@H](Nc1cnc(F)cn1)c1[nH]cc[nH+]1 ZINC000853507540 588746627 /nfs/dbraw/zinc/74/66/27/588746627.db2.gz SMENYEFWQBVGQC-SSDOTTSWSA-N 1 2 221.239 1.902 20 0 BDADLO Clc1cnn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000853577235 588749266 /nfs/dbraw/zinc/74/92/66/588749266.db2.gz HMXLYRMZIVPQOC-IUCAKERBSA-N 1 2 211.696 1.836 20 0 BDADLO Clc1cnn(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000853577235 588749267 /nfs/dbraw/zinc/74/92/67/588749267.db2.gz HMXLYRMZIVPQOC-IUCAKERBSA-N 1 2 211.696 1.836 20 0 BDADLO CCNc1nccnc1NCc1c[nH+]cn1C ZINC000853635718 588751072 /nfs/dbraw/zinc/75/10/72/588751072.db2.gz GEAFAIVADNOWCN-UHFFFAOYSA-N 1 2 232.291 1.254 20 0 BDADLO CC(C)OCC(N)=[NH+]OCCC1(O)CCC1 ZINC000853658911 588753021 /nfs/dbraw/zinc/75/30/21/588753021.db2.gz RHIAEHCQJZOFLN-UHFFFAOYSA-N 1 2 230.308 1.215 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCc1csc(Cl)n1 ZINC000853673760 588754514 /nfs/dbraw/zinc/75/45/14/588754514.db2.gz IDWQFTJDNBUBAW-RXMQYKEDSA-N 1 2 249.723 1.830 20 0 BDADLO CO[C@H](C)C(N)=[NH+]O[C@@H]1COC(C)(C)C1 ZINC000853674125 588754575 /nfs/dbraw/zinc/75/45/75/588754575.db2.gz SCGFREAAERWIFV-SFYZADRCSA-N 1 2 216.281 1.087 20 0 BDADLO CC1(C)C[C@@H](O[NH+]=C(N)[C@H]2CCCO2)CO1 ZINC000853697776 588757463 /nfs/dbraw/zinc/75/74/63/588757463.db2.gz JZNFZMARGPWNEC-RKDXNWHRSA-N 1 2 228.292 1.231 20 0 BDADLO CC(C)c1nc(N2CCC[C@@H]2[C@@H](C)O)cc[nH+]1 ZINC000853862085 588766536 /nfs/dbraw/zinc/76/65/36/588766536.db2.gz LQMQYTRJZYTISV-GHMZBOCLSA-N 1 2 235.331 1.950 20 0 BDADLO CCc1noc(C[NH+]2CCC(C(C)=O)CC2)n1 ZINC000111690827 588767562 /nfs/dbraw/zinc/76/75/62/588767562.db2.gz SRWRUEAJXIDPJY-UHFFFAOYSA-N 1 2 237.303 1.433 20 0 BDADLO CC1(C)C[N@H+](CC2OCCO2)[C@H]1c1ccncc1 ZINC000854042944 588772423 /nfs/dbraw/zinc/77/24/23/588772423.db2.gz XUMCIFHPPYZHOT-ZDUSSCGKSA-N 1 2 248.326 1.837 20 0 BDADLO CC1(C)C[N@@H+](CC2OCCO2)[C@H]1c1ccncc1 ZINC000854042944 588772424 /nfs/dbraw/zinc/77/24/24/588772424.db2.gz XUMCIFHPPYZHOT-ZDUSSCGKSA-N 1 2 248.326 1.837 20 0 BDADLO CCCC[C@@](C)(F)C(=O)N1CC[NH+](C)CC1 ZINC000854117970 588775264 /nfs/dbraw/zinc/77/52/64/588775264.db2.gz RNIUJVICBZFPFL-GFCCVEGCSA-N 1 2 230.327 1.679 20 0 BDADLO C[C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000854179230 588778135 /nfs/dbraw/zinc/77/81/35/588778135.db2.gz USWUJGBPXJLRNK-VWYCJHECSA-N 1 2 235.331 1.893 20 0 BDADLO CCCONC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000854202941 588779142 /nfs/dbraw/zinc/77/91/42/588779142.db2.gz ISOVMXMNPNJJOB-QMMMGPOBSA-N 1 2 226.280 1.122 20 0 BDADLO c1c[nH+]c(-c2cnn([C@H]3CCCCO3)c2)[nH]1 ZINC000854206913 588779265 /nfs/dbraw/zinc/77/92/65/588779265.db2.gz CHTIREVUFUOKCQ-SNVBAGLBSA-N 1 2 218.260 1.972 20 0 BDADLO CCC(F)(F)C(=O)NCc1c[nH+]c(C)nc1N ZINC000854429368 588786731 /nfs/dbraw/zinc/78/67/31/588786731.db2.gz DHEBVGSXHZJYRJ-UHFFFAOYSA-N 1 2 244.245 1.029 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC1(F)CCC1 ZINC000854470274 588789065 /nfs/dbraw/zinc/78/90/65/588789065.db2.gz ZRNLGQDQPFQINR-UHFFFAOYSA-N 1 2 225.267 1.351 20 0 BDADLO CCn1ccnc1[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854846371 588813227 /nfs/dbraw/zinc/81/32/27/588813227.db2.gz TVKGOTHKNHYVNM-SECBINFHSA-N 1 2 247.302 1.046 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NC1(C2CCC2)CCC1 ZINC000854917332 588816825 /nfs/dbraw/zinc/81/68/25/588816825.db2.gz YSXFTASFGNIKPU-UHFFFAOYSA-N 1 2 233.315 1.791 20 0 BDADLO C[C@@H]1CC(C)(C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854939608 588817185 /nfs/dbraw/zinc/81/71/85/588817185.db2.gz NJUZQJJOLWPRAO-SECBINFHSA-N 1 2 221.304 1.599 20 0 BDADLO CCN(Cc1occc1C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854942141 588817415 /nfs/dbraw/zinc/81/74/15/588817415.db2.gz RLEUCVLNFHDKSF-UHFFFAOYSA-N 1 2 247.298 1.902 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(CC2(F)F)C1 ZINC000855033062 588821448 /nfs/dbraw/zinc/82/14/48/588821448.db2.gz HMVVHUPYAZNYLR-SNVBAGLBSA-N 1 2 241.241 1.210 20 0 BDADLO CC/C(C)=C\C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134828 588822547 /nfs/dbraw/zinc/82/25/47/588822547.db2.gz ATKJRBMFEBVLPZ-UITAMQMPSA-N 1 2 207.277 1.724 20 0 BDADLO CC/C(C)=C\C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134828 588822548 /nfs/dbraw/zinc/82/25/48/588822548.db2.gz ATKJRBMFEBVLPZ-UITAMQMPSA-N 1 2 207.277 1.724 20 0 BDADLO CCCCSCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134558 588822634 /nfs/dbraw/zinc/82/26/34/588822634.db2.gz SGUUSELVVQGIFS-UHFFFAOYSA-N 1 2 241.360 1.901 20 0 BDADLO CCCCSCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134558 588822635 /nfs/dbraw/zinc/82/26/35/588822635.db2.gz SGUUSELVVQGIFS-UHFFFAOYSA-N 1 2 241.360 1.901 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccccn1 ZINC000855136431 588823266 /nfs/dbraw/zinc/82/32/66/588823266.db2.gz QJVMQLARIAKPEB-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccccn1 ZINC000855136431 588823267 /nfs/dbraw/zinc/82/32/67/588823267.db2.gz QJVMQLARIAKPEB-SNVBAGLBSA-N 1 2 244.298 1.567 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CCCOC1 ZINC000855136859 588823413 /nfs/dbraw/zinc/82/34/13/588823413.db2.gz VDVGABFYRGXKRL-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CCCOC1 ZINC000855136859 588823414 /nfs/dbraw/zinc/82/34/14/588823414.db2.gz VDVGABFYRGXKRL-JTQLQIEISA-N 1 2 237.303 1.185 20 0 BDADLO C[C@H]1CC(=O)N(C[NH+]2Cc3ccccc3C2)C1 ZINC000113245096 588828476 /nfs/dbraw/zinc/82/84/76/588828476.db2.gz QZZWHMVKOLGHHD-NSHDSACASA-N 1 2 230.311 1.828 20 0 BDADLO COC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000855340791 588828503 /nfs/dbraw/zinc/82/85/03/588828503.db2.gz UEUOMVGESOVUPR-UHFFFAOYSA-N 1 2 235.287 1.538 20 0 BDADLO O=C(N[C@@H]1C=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000855432729 588835557 /nfs/dbraw/zinc/83/55/57/588835557.db2.gz NJPZDDLPQOLUNA-GHMZBOCLSA-N 1 2 231.299 1.280 20 0 BDADLO CCCONC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000844085253 582570000 /nfs/dbraw/zinc/57/00/00/582570000.db2.gz KKCUSMWMUUEELD-UHFFFAOYSA-N 1 2 246.270 1.339 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cnc(C)cn2)[C@H](C)CO1 ZINC000844390661 582581010 /nfs/dbraw/zinc/58/10/10/582581010.db2.gz ZUFZBZMWOJJVME-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)[C@H](C)CO1 ZINC000844390661 582581012 /nfs/dbraw/zinc/58/10/12/582581012.db2.gz ZUFZBZMWOJJVME-DGCLKSJQSA-N 1 2 235.331 1.784 20 0 BDADLO CO[C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000804840177 582588170 /nfs/dbraw/zinc/58/81/70/582588170.db2.gz BCTUFAJPYXWZSL-JTQLQIEISA-N 1 2 247.298 1.441 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C/C=C/Cl ZINC000113511474 588841851 /nfs/dbraw/zinc/84/18/51/588841851.db2.gz PIJHOWQQDOHYOG-CYNONHLPSA-N 1 2 239.768 1.494 20 0 BDADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C/C=C/Cl ZINC000113511474 588841852 /nfs/dbraw/zinc/84/18/52/588841852.db2.gz PIJHOWQQDOHYOG-CYNONHLPSA-N 1 2 239.768 1.494 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2CCCC2)c1 ZINC000891401163 582677986 /nfs/dbraw/zinc/67/79/86/582677986.db2.gz ZOKHESNFJWQQBE-UHFFFAOYSA-N 1 2 222.292 1.162 20 0 BDADLO CC[C@@H](C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000891410982 582680929 /nfs/dbraw/zinc/68/09/29/582680929.db2.gz XBKWBHOMNMAGFP-MRVPVSSYSA-N 1 2 210.281 1.018 20 0 BDADLO C[N@H+](Cc1ccco1)Cc1cnc2n1CCOC2 ZINC000891487712 582692233 /nfs/dbraw/zinc/69/22/33/582692233.db2.gz NQMPRCGOXDSQMI-UHFFFAOYSA-N 1 2 247.298 1.638 20 0 BDADLO C[N@@H+](Cc1ccco1)Cc1cnc2n1CCOC2 ZINC000891487712 582692235 /nfs/dbraw/zinc/69/22/35/582692235.db2.gz NQMPRCGOXDSQMI-UHFFFAOYSA-N 1 2 247.298 1.638 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)CCO1 ZINC000891543213 582695808 /nfs/dbraw/zinc/69/58/08/582695808.db2.gz RBFUCJUZZYHRJM-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)CCO1 ZINC000891543213 582695809 /nfs/dbraw/zinc/69/58/09/582695809.db2.gz RBFUCJUZZYHRJM-SECBINFHSA-N 1 2 248.282 1.754 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn(C)c2C2CC2)CCO1 ZINC000891543737 582696000 /nfs/dbraw/zinc/69/60/00/582696000.db2.gz SZGYGIVPFDMLQQ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)CCO1 ZINC000891543737 582696002 /nfs/dbraw/zinc/69/60/02/582696002.db2.gz SZGYGIVPFDMLQQ-JTQLQIEISA-N 1 2 235.331 1.518 20 0 BDADLO C[C@@H]1CO[C@@H](C)CN1Cc1[nH+]ccn1C1CC1 ZINC000891672882 582708153 /nfs/dbraw/zinc/70/81/53/582708153.db2.gz ZBZRDNGYECBPJY-MNOVXSKESA-N 1 2 235.331 1.827 20 0 BDADLO C[C@@H]1CN(Cc2[nH+]ccn2C2CC2)[C@@H](C)CO1 ZINC000891672885 582708594 /nfs/dbraw/zinc/70/85/94/582708594.db2.gz ZBZRDNGYECBPJY-WDEREUQCSA-N 1 2 235.331 1.827 20 0 BDADLO Cc1cc(Br)cc(N[C@@H](C)CO)[nH+]1 ZINC000891684452 582710022 /nfs/dbraw/zinc/71/00/22/582710022.db2.gz MBKLSRJJGLJDNU-ZETCQYMHSA-N 1 2 245.120 1.945 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)o1 ZINC000891715577 582713100 /nfs/dbraw/zinc/71/31/00/582713100.db2.gz FRUZBPDOCKSREM-SNVBAGLBSA-N 1 2 225.288 1.899 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)o1 ZINC000891715577 582713102 /nfs/dbraw/zinc/71/31/02/582713102.db2.gz FRUZBPDOCKSREM-SNVBAGLBSA-N 1 2 225.288 1.899 20 0 BDADLO CCNC(=O)C[N@H+](C)Cc1cnc(F)cc1C ZINC000891736165 582715107 /nfs/dbraw/zinc/71/51/07/582715107.db2.gz JATHHCITSWSFBZ-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CCNC(=O)C[N@@H+](C)Cc1cnc(F)cc1C ZINC000891736165 582715110 /nfs/dbraw/zinc/71/51/10/582715110.db2.gz JATHHCITSWSFBZ-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO C[C@@H](O)c1cccc(NC[C@@H](O)c2ccco2)[nH+]1 ZINC000891778288 582719259 /nfs/dbraw/zinc/71/92/59/582719259.db2.gz LYGINYPGSKCIJS-MWLCHTKSSA-N 1 2 248.282 1.873 20 0 BDADLO Cn1c[nH+]c(CCNC(=S)NC(C)(C)C)c1 ZINC000840842129 582732423 /nfs/dbraw/zinc/73/24/23/582732423.db2.gz SGLYXDNYKJASPY-UHFFFAOYSA-N 1 2 240.376 1.225 20 0 BDADLO CCN(CCOC)c1nccn2c[nH+]cc12 ZINC000891982210 582752087 /nfs/dbraw/zinc/75/20/87/582752087.db2.gz VGPYDZIDXGXZBF-UHFFFAOYSA-N 1 2 220.276 1.202 20 0 BDADLO C[C@@H](O)CN(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000892003656 582759142 /nfs/dbraw/zinc/75/91/42/582759142.db2.gz CFUAKADSZGMGNO-LLVKDONJSA-N 1 2 243.310 1.961 20 0 BDADLO Cc1cc(C[N@@H+]2CCc3cn[nH]c3C2)cnc1F ZINC000892092809 582789709 /nfs/dbraw/zinc/78/97/09/582789709.db2.gz YBPCCBPIBNRAHC-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO Cc1cc(C[N@H+]2CCc3cn[nH]c3C2)cnc1F ZINC000892092809 582789711 /nfs/dbraw/zinc/78/97/11/582789711.db2.gz YBPCCBPIBNRAHC-UHFFFAOYSA-N 1 2 246.289 1.811 20 0 BDADLO COCCCCCNc1cc(N(C)C)nc[nH+]1 ZINC000892134421 582798239 /nfs/dbraw/zinc/79/82/39/582798239.db2.gz ZVQDLOOGXFHUCL-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO COCCCCCNc1cc(N(C)C)[nH+]cn1 ZINC000892134421 582798240 /nfs/dbraw/zinc/79/82/40/582798240.db2.gz ZVQDLOOGXFHUCL-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)CC23CCC3)C[C@H](C)O1 ZINC000743347312 582840624 /nfs/dbraw/zinc/84/06/24/582840624.db2.gz NTHFDUNAFQDUNJ-PHIMTYICSA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)CC23CCC3)C[C@H](C)O1 ZINC000743347312 582840626 /nfs/dbraw/zinc/84/06/26/582840626.db2.gz NTHFDUNAFQDUNJ-PHIMTYICSA-N 1 2 238.331 1.208 20 0 BDADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1C=CCC1 ZINC000849225722 582844278 /nfs/dbraw/zinc/84/42/78/582844278.db2.gz AGGHSBXMUSROFJ-LLVKDONJSA-N 1 2 234.303 1.291 20 0 BDADLO CC[C@@H](CO)Nc1cc(NC2CCC2)[nH+]cn1 ZINC000892401393 582876790 /nfs/dbraw/zinc/87/67/90/582876790.db2.gz FYCKREUEGYGQCN-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@@H](CO)Nc1cc(NC2CCC2)nc[nH+]1 ZINC000892401393 582876793 /nfs/dbraw/zinc/87/67/93/582876793.db2.gz FYCKREUEGYGQCN-VIFPVBQESA-N 1 2 236.319 1.624 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cc(N(C)C)nc[nH+]1 ZINC000892502607 582900041 /nfs/dbraw/zinc/90/00/41/582900041.db2.gz ULZDARPEYTXHCO-UWVGGRQHSA-N 1 2 238.335 1.362 20 0 BDADLO CC[C@H](C)[C@@H](O)CNc1cc(N(C)C)[nH+]cn1 ZINC000892502607 582900042 /nfs/dbraw/zinc/90/00/42/582900042.db2.gz ULZDARPEYTXHCO-UWVGGRQHSA-N 1 2 238.335 1.362 20 0 BDADLO CC[C@@H](CCO)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892648988 582938953 /nfs/dbraw/zinc/93/89/53/582938953.db2.gz IHRKVBLLMSUMSN-ZJUUUORDSA-N 1 2 224.304 1.708 20 0 BDADLO CNc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)nc[nH+]1 ZINC000892660879 582943657 /nfs/dbraw/zinc/94/36/57/582943657.db2.gz XCCPNDBUJKUJDF-XXILOJSOSA-N 1 2 248.330 1.744 20 0 BDADLO CNc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[nH+]cn1 ZINC000892660879 582943661 /nfs/dbraw/zinc/94/36/61/582943661.db2.gz XCCPNDBUJKUJDF-XXILOJSOSA-N 1 2 248.330 1.744 20 0 BDADLO CNc1cc(NC[C@H](O)c2ccc(C)o2)[nH+]cn1 ZINC000892663085 582944206 /nfs/dbraw/zinc/94/42/06/582944206.db2.gz RYJIRVOHKUCGMJ-VIFPVBQESA-N 1 2 248.286 1.565 20 0 BDADLO CN(c1nccn2c[nH+]cc12)C1CCC1 ZINC000892695046 582957604 /nfs/dbraw/zinc/95/76/04/582957604.db2.gz ZSGDALDLVIDEOH-UHFFFAOYSA-N 1 2 202.261 1.718 20 0 BDADLO CCC/C=C\C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856276908 588866452 /nfs/dbraw/zinc/86/64/52/588866452.db2.gz UAQRBLSSHWBAQI-JYESYGNLSA-N 1 2 221.304 1.954 20 0 BDADLO C[C@H](NC(=O)c1ccc(F)nc1)c1[nH+]ccn1C ZINC000856277435 588866543 /nfs/dbraw/zinc/86/65/43/588866543.db2.gz JGLWBSHUIOCISG-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C[C@H](NC(=O)c1ccnc(F)c1)c1[nH+]ccn1C ZINC000856276433 588866660 /nfs/dbraw/zinc/86/66/60/588866660.db2.gz AIWTZHICYHUIOY-QMMMGPOBSA-N 1 2 248.261 1.445 20 0 BDADLO C/C=C/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277155 588866666 /nfs/dbraw/zinc/86/66/66/588866666.db2.gz WBQHGKGRKTUWTR-KPMJTYEXSA-N 1 2 219.288 1.730 20 0 BDADLO C[C@@H](NC(=O)/C=C/C1CC1)c1[nH+]ccn1C ZINC000856277844 588866696 /nfs/dbraw/zinc/86/66/96/588866696.db2.gz RRFLZRRGKMEBMS-VUHVRTRXSA-N 1 2 219.288 1.564 20 0 BDADLO C/C=C(/C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277034 588866722 /nfs/dbraw/zinc/86/67/22/588866722.db2.gz GJISYGMUWAJBDW-RDOCRHDPSA-N 1 2 207.277 1.564 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856280936 588866916 /nfs/dbraw/zinc/86/69/16/588866916.db2.gz KGLOPUPXUQKVPR-AAXQSMANSA-N 1 2 221.304 1.954 20 0 BDADLO C[C@H](NC(=O)/C=C/[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000856280457 588867051 /nfs/dbraw/zinc/86/70/51/588867051.db2.gz SGQWNTYAEKIGFN-PZIAFJOJSA-N 1 2 249.314 1.333 20 0 BDADLO Cc1ncc(CC(=O)OCc2c[nH+]cn2C)o1 ZINC000892780694 582980425 /nfs/dbraw/zinc/98/04/25/582980425.db2.gz UANOPHOAGRIYOA-UHFFFAOYSA-N 1 2 235.243 1.002 20 0 BDADLO CCOC[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892792832 582983571 /nfs/dbraw/zinc/98/35/71/582983571.db2.gz PBGVAPZISPSPHM-LLVKDONJSA-N 1 2 246.314 1.592 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000856351945 588870283 /nfs/dbraw/zinc/87/02/83/588870283.db2.gz QOBMLZNCDNKMHA-SNVBAGLBSA-N 1 2 249.314 1.363 20 0 BDADLO O=C(NOCC1CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000856351945 588870284 /nfs/dbraw/zinc/87/02/84/588870284.db2.gz QOBMLZNCDNKMHA-SNVBAGLBSA-N 1 2 249.314 1.363 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc[nH+]1 ZINC000892920643 583009132 /nfs/dbraw/zinc/00/91/32/583009132.db2.gz PHYMWPZORDNSTH-GMTAPVOTSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)[nH+]cn1 ZINC000892920643 583009134 /nfs/dbraw/zinc/00/91/34/583009134.db2.gz PHYMWPZORDNSTH-GMTAPVOTSA-N 1 2 248.330 1.888 20 0 BDADLO CCOC(=O)[C@H](C)N(C)c1nccn2c[nH+]cc12 ZINC000892922273 583010560 /nfs/dbraw/zinc/01/05/60/583010560.db2.gz ITFUDYSDNGOJQZ-VIFPVBQESA-N 1 2 248.286 1.117 20 0 BDADLO CN(C)c1cc(NCCc2ccncc2)[nH+]cn1 ZINC000892929759 583011344 /nfs/dbraw/zinc/01/13/44/583011344.db2.gz KTURSNRWGYKPBB-UHFFFAOYSA-N 1 2 243.314 1.592 20 0 BDADLO CN(C)c1cc(NCCc2ccncc2)nc[nH+]1 ZINC000892929759 583011346 /nfs/dbraw/zinc/01/13/46/583011346.db2.gz KTURSNRWGYKPBB-UHFFFAOYSA-N 1 2 243.314 1.592 20 0 BDADLO CN(C[C@H]1CC1(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000856459118 588872950 /nfs/dbraw/zinc/87/29/50/588872950.db2.gz NULUHMFUODYSLO-SECBINFHSA-N 1 2 221.304 1.457 20 0 BDADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccon1 ZINC000745082710 583031299 /nfs/dbraw/zinc/03/12/99/583031299.db2.gz QSTOXTTUUCBRJH-SNVBAGLBSA-N 1 2 224.260 1.202 20 0 BDADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccon1 ZINC000745082710 583031300 /nfs/dbraw/zinc/03/13/00/583031300.db2.gz QSTOXTTUUCBRJH-SNVBAGLBSA-N 1 2 224.260 1.202 20 0 BDADLO CCc1cc(N2C[C@H](O)[C@@H](CC)C2)nc(CC)[nH+]1 ZINC000893031445 583033487 /nfs/dbraw/zinc/03/34/87/583033487.db2.gz ZLGVJNVCUNTKCM-JQWIXIFHSA-N 1 2 249.358 1.809 20 0 BDADLO C[C@H](O)c1cccc(NCc2ccn(C)n2)[nH+]1 ZINC000893050430 583036814 /nfs/dbraw/zinc/03/68/14/583036814.db2.gz KDLDAOOOHYBISQ-VIFPVBQESA-N 1 2 232.287 1.481 20 0 BDADLO Cc1cc(N2C[C@@H](C)[C@@H](O)C2)nc(C2CCC2)[nH+]1 ZINC000893078732 583042396 /nfs/dbraw/zinc/04/23/96/583042396.db2.gz GBSBMTCSMWLWPB-SKDRFNHKSA-N 1 2 247.342 1.870 20 0 BDADLO CCOc1ccc(C[NH2+]Cc2ccon2)o1 ZINC000893098949 583049311 /nfs/dbraw/zinc/04/93/11/583049311.db2.gz TUEQVHVJOMTSLL-UHFFFAOYSA-N 1 2 222.244 1.956 20 0 BDADLO CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867761930 583052828 /nfs/dbraw/zinc/05/28/28/583052828.db2.gz VBAGABFGTOIGOF-LBPRGKRZSA-N 1 2 231.299 1.413 20 0 BDADLO COc1ccc(C)[nH+]c1N[C@@H](C)COC(C)=O ZINC000893133573 583055330 /nfs/dbraw/zinc/05/53/30/583055330.db2.gz BXFNWLSKAQXOSZ-VIFPVBQESA-N 1 2 238.287 1.762 20 0 BDADLO Cc1cc(N2CC(CO)C2)nc(C2CCC2)[nH+]1 ZINC000893141406 583056425 /nfs/dbraw/zinc/05/64/25/583056425.db2.gz QCYYKJBCAIRASX-UHFFFAOYSA-N 1 2 233.315 1.481 20 0 BDADLO CC(=O)OC[C@@H](C)Nc1ccc[nH+]c1C ZINC000893198192 583068937 /nfs/dbraw/zinc/06/89/37/583068937.db2.gz LGEWLLPZSFJXAX-MRVPVSSYSA-N 1 2 208.261 1.754 20 0 BDADLO O=C(NOCC1CCC1)c1ccc2[nH+]ccn2c1 ZINC000856347664 588868857 /nfs/dbraw/zinc/86/88/57/588868857.db2.gz XPEFEIOCDIBUJL-UHFFFAOYSA-N 1 2 245.282 1.796 20 0 BDADLO CCOc1cncc(C[NH2+]C(CF)CF)c1 ZINC000856789610 588877934 /nfs/dbraw/zinc/87/79/34/588877934.db2.gz LLDKEUXVZDYVCK-UHFFFAOYSA-N 1 2 230.258 1.878 20 0 BDADLO CC1(C)CN(c2nccn3c[nH+]cc23)CC[C@@H]1O ZINC000893380728 583132772 /nfs/dbraw/zinc/13/27/72/583132772.db2.gz WNCXJQQQOVNTFN-NSHDSACASA-N 1 2 246.314 1.327 20 0 BDADLO CO[C@H]1CN(c2nccn3c[nH+]cc23)CC[C@@H]1C ZINC000893390151 583133992 /nfs/dbraw/zinc/13/39/92/583133992.db2.gz ZWMIFCPUTZTRLE-JQWIXIFHSA-N 1 2 246.314 1.591 20 0 BDADLO CNc1cc(N(C)[C@H]2CC[C@H](O)CC2)nc[nH+]1 ZINC000893391162 583134325 /nfs/dbraw/zinc/13/43/25/583134325.db2.gz LTMPOVQFSZDVBS-MGCOHNPYSA-N 1 2 236.319 1.258 20 0 BDADLO CNc1cc(N(C)[C@H]2CC[C@H](O)CC2)[nH+]cn1 ZINC000893391162 583134327 /nfs/dbraw/zinc/13/43/27/583134327.db2.gz LTMPOVQFSZDVBS-MGCOHNPYSA-N 1 2 236.319 1.258 20 0 BDADLO CCc1cc(N2CC(=O)N(CC)C2)nc(CC)[nH+]1 ZINC000893464696 583148018 /nfs/dbraw/zinc/14/80/18/583148018.db2.gz PRASFNGEBLKNND-UHFFFAOYSA-N 1 2 248.330 1.227 20 0 BDADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@H]1CC1(F)F ZINC000893527707 583157892 /nfs/dbraw/zinc/15/78/92/583157892.db2.gz GDMKNUKDXKCDME-SFYZADRCSA-N 1 2 242.225 1.835 20 0 BDADLO C[C@H](C[NH+]1CCOCC1)N(C)c1nccs1 ZINC000893563711 583164799 /nfs/dbraw/zinc/16/47/99/583164799.db2.gz INZQQXFWMCLKEZ-SNVBAGLBSA-N 1 2 241.360 1.300 20 0 BDADLO CCCC[C@@H]([NH2+][C@H](C)COC(C)=O)C(=O)OC ZINC000893600266 583170714 /nfs/dbraw/zinc/17/07/14/583170714.db2.gz UEVBUEVQYQJSTN-MWLCHTKSSA-N 1 2 245.319 1.259 20 0 BDADLO CCOc1ccccc1C[N@H+](C)[C@H]1CCOC1=O ZINC000114724884 588881442 /nfs/dbraw/zinc/88/14/42/588881442.db2.gz BHTGDIQQPBPUCD-LBPRGKRZSA-N 1 2 249.310 1.833 20 0 BDADLO CCOc1ccccc1C[N@@H+](C)[C@H]1CCOC1=O ZINC000114724884 588881443 /nfs/dbraw/zinc/88/14/43/588881443.db2.gz BHTGDIQQPBPUCD-LBPRGKRZSA-N 1 2 249.310 1.833 20 0 BDADLO Cn1cc(C[N@H+](C)C2CC(O)C2)c(Cl)n1 ZINC000857039581 588882425 /nfs/dbraw/zinc/88/24/25/588882425.db2.gz OMTWSUQTGBCRPM-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO Cn1cc(C[N@@H+](C)C2CC(O)C2)c(Cl)n1 ZINC000857039581 588882426 /nfs/dbraw/zinc/88/24/26/588882426.db2.gz OMTWSUQTGBCRPM-UHFFFAOYSA-N 1 2 229.711 1.029 20 0 BDADLO C[C@@H](CCO)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000893950888 583260722 /nfs/dbraw/zinc/26/07/22/583260722.db2.gz JTYDMNIEAJBSDM-UWVGGRQHSA-N 1 2 229.320 1.221 20 0 BDADLO Cc1coc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000893983678 583268961 /nfs/dbraw/zinc/26/89/61/583268961.db2.gz FKBXRONMRWMJOH-QWHCGFSZSA-N 1 2 248.326 1.831 20 0 BDADLO Cc1coc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000893983678 583268964 /nfs/dbraw/zinc/26/89/64/583268964.db2.gz FKBXRONMRWMJOH-QWHCGFSZSA-N 1 2 248.326 1.831 20 0 BDADLO CCc1nocc1CN(C)c1cc(NC)[nH+]cn1 ZINC000893989365 583270565 /nfs/dbraw/zinc/27/05/65/583270565.db2.gz WFXRWCRXPHBNAF-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO CCc1nocc1CN(C)c1cc(NC)nc[nH+]1 ZINC000893989365 583270567 /nfs/dbraw/zinc/27/05/67/583270567.db2.gz WFXRWCRXPHBNAF-UHFFFAOYSA-N 1 2 247.302 1.705 20 0 BDADLO Cc1coc(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000894002996 583272153 /nfs/dbraw/zinc/27/21/53/583272153.db2.gz ZQXHGEBSWQHYKR-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1coc(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000894002996 583272156 /nfs/dbraw/zinc/27/21/56/583272156.db2.gz ZQXHGEBSWQHYKR-UHFFFAOYSA-N 1 2 222.288 1.298 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000894026223 583280403 /nfs/dbraw/zinc/28/04/03/583280403.db2.gz JZUOOSHWUWWOBP-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000894026223 583280405 /nfs/dbraw/zinc/28/04/05/583280405.db2.gz JZUOOSHWUWWOBP-NXEZZACHSA-N 1 2 210.277 1.592 20 0 BDADLO Cc1cc[nH+]c(N)c1CN(C)Cc1ccon1 ZINC000894038859 583283169 /nfs/dbraw/zinc/28/31/69/583283169.db2.gz GKWKGOPGEPCORG-UHFFFAOYSA-N 1 2 232.287 1.592 20 0 BDADLO C[C@H](CCCCO)Nc1cc(N(C)C)nc[nH+]1 ZINC000894037059 583289203 /nfs/dbraw/zinc/28/92/03/583289203.db2.gz VIEJAXFTNHHPPY-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO C[C@H](CCCCO)Nc1cc(N(C)C)[nH+]cn1 ZINC000894037059 583289205 /nfs/dbraw/zinc/28/92/05/583289205.db2.gz VIEJAXFTNHHPPY-SNVBAGLBSA-N 1 2 238.335 1.506 20 0 BDADLO CC(C)([NH2+]C1CC(S(C)(=O)=O)C1)C(F)F ZINC000894150075 583319116 /nfs/dbraw/zinc/31/91/16/583319116.db2.gz ZJGMPNGMTNTMOM-UHFFFAOYSA-N 1 2 241.303 1.195 20 0 BDADLO COC(=O)[C@@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000894178839 583328755 /nfs/dbraw/zinc/32/87/55/583328755.db2.gz PDYINRMLXMLMBL-SECBINFHSA-N 1 2 211.305 1.860 20 0 BDADLO CCn1ccc(CNc2cccc([C@@H](C)O)[nH+]2)n1 ZINC000894184602 583331973 /nfs/dbraw/zinc/33/19/73/583331973.db2.gz CYOTTXZZDQIIEV-SNVBAGLBSA-N 1 2 246.314 1.963 20 0 BDADLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc[nH]n2)C1 ZINC000877828775 583348458 /nfs/dbraw/zinc/34/84/58/583348458.db2.gz LBADPCZLIKGIAA-VIFPVBQESA-N 1 2 237.303 1.041 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCCC1CC1 ZINC000878477762 583375646 /nfs/dbraw/zinc/37/56/46/583375646.db2.gz RWZCKQSADUKSHX-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO OC[C@H]1CC(F)(F)C[N@H+]1CCCC1CC1 ZINC000878477762 583375648 /nfs/dbraw/zinc/37/56/48/583375648.db2.gz RWZCKQSADUKSHX-SNVBAGLBSA-N 1 2 219.275 1.879 20 0 BDADLO CC[C@H]1C[C@H](Nc2cc(NC)nc[nH+]2)CCO1 ZINC000894249223 583391335 /nfs/dbraw/zinc/39/13/35/583391335.db2.gz PJMHKMPKSMCYAQ-ZJUUUORDSA-N 1 2 236.319 1.888 20 0 BDADLO CONC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000894278695 583406906 /nfs/dbraw/zinc/40/69/06/583406906.db2.gz XQIANXXNZDXZFC-UHFFFAOYSA-N 1 2 234.259 1.003 20 0 BDADLO OC[C@@]1(F)CCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894281188 583408241 /nfs/dbraw/zinc/40/82/41/583408241.db2.gz PDEIHWNBIPAQIF-GFCCVEGCSA-N 1 2 239.294 1.124 20 0 BDADLO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000366603795 583415872 /nfs/dbraw/zinc/41/58/72/583415872.db2.gz RKIWJIHQFQKURL-UWVGGRQHSA-N 1 2 225.292 1.223 20 0 BDADLO CC(C)[C@@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000366603795 583415873 /nfs/dbraw/zinc/41/58/73/583415873.db2.gz RKIWJIHQFQKURL-UWVGGRQHSA-N 1 2 225.292 1.223 20 0 BDADLO Cc1noc2ncc(C[NH2+]Cc3ccon3)cc12 ZINC000894325199 583422734 /nfs/dbraw/zinc/42/27/34/583422734.db2.gz PBFSVPOAEFXISW-UHFFFAOYSA-N 1 2 244.254 1.809 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CN2CCC2=O)on1 ZINC000857231999 588897797 /nfs/dbraw/zinc/89/77/97/588897797.db2.gz XRKIDKADYPAERI-JTQLQIEISA-N 1 2 235.287 1.310 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CN2CCC2=O)on1 ZINC000857231999 588897799 /nfs/dbraw/zinc/89/77/99/588897799.db2.gz XRKIDKADYPAERI-JTQLQIEISA-N 1 2 235.287 1.310 20 0 BDADLO Cc1cc(C[NH2+]Cc2c(C)ccnc2N)on1 ZINC000894390982 583446006 /nfs/dbraw/zinc/44/60/06/583446006.db2.gz BBXSQNBQKBPIJP-UHFFFAOYSA-N 1 2 232.287 1.558 20 0 BDADLO Cc1ncoc1C[NH2+][C@H](CO)c1ccsc1 ZINC000894478409 583469712 /nfs/dbraw/zinc/46/97/12/583469712.db2.gz FEBNSOWKOZIMOB-SNVBAGLBSA-N 1 2 238.312 1.868 20 0 BDADLO CC[C@]1(C)COCC[N@@H+]1Cc1ocnc1C ZINC000894486522 583471455 /nfs/dbraw/zinc/47/14/55/583471455.db2.gz ZPCDNQSSBZPUBI-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CC[C@]1(C)COCC[N@H+]1Cc1ocnc1C ZINC000894486522 583471458 /nfs/dbraw/zinc/47/14/58/583471458.db2.gz ZPCDNQSSBZPUBI-GFCCVEGCSA-N 1 2 224.304 1.984 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](C)n3ncnc32)nc[nH+]1 ZINC000894492275 583472622 /nfs/dbraw/zinc/47/26/22/583472622.db2.gz OPSUSVSFPUCICR-HTQZYQBOSA-N 1 2 245.290 1.228 20 0 BDADLO CNc1cc(N[C@@H]2C[C@@H](C)n3ncnc32)[nH+]cn1 ZINC000894492275 583472625 /nfs/dbraw/zinc/47/26/25/583472625.db2.gz OPSUSVSFPUCICR-HTQZYQBOSA-N 1 2 245.290 1.228 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000894497470 583472819 /nfs/dbraw/zinc/47/28/19/583472819.db2.gz LYTFCMFFCBCBKA-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO Cc1ncoc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000894497470 583472822 /nfs/dbraw/zinc/47/28/22/583472822.db2.gz LYTFCMFFCBCBKA-LBPRGKRZSA-N 1 2 236.271 1.265 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NCCC2(C)CC2)c1 ZINC000894513083 583475302 /nfs/dbraw/zinc/47/53/02/583475302.db2.gz CDGHXDIJPJQXTP-UHFFFAOYSA-N 1 2 236.319 1.410 20 0 BDADLO Cc1coc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000894535463 583479389 /nfs/dbraw/zinc/47/93/89/583479389.db2.gz TZYYVXJVDOCWAG-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO Cc1coc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000894535463 583479392 /nfs/dbraw/zinc/47/93/92/583479392.db2.gz TZYYVXJVDOCWAG-SNVBAGLBSA-N 1 2 222.288 1.251 20 0 BDADLO CN(C)c1cc(NCCc2ccoc2)[nH+]cn1 ZINC000894554600 583483749 /nfs/dbraw/zinc/48/37/49/583483749.db2.gz JFLKJJQQKQNWCY-UHFFFAOYSA-N 1 2 232.287 1.790 20 0 BDADLO CN(C)c1cc(NCCc2ccoc2)nc[nH+]1 ZINC000894554600 583483750 /nfs/dbraw/zinc/48/37/50/583483750.db2.gz JFLKJJQQKQNWCY-UHFFFAOYSA-N 1 2 232.287 1.790 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3COC[C@]3(C)C2)nc[nH+]1 ZINC000894564573 583484059 /nfs/dbraw/zinc/48/40/59/583484059.db2.gz STNSRLDCCODLNR-MFKMUULPSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2C[C@@H]3COC[C@]3(C)C2)[nH+]cn1 ZINC000894564573 583484062 /nfs/dbraw/zinc/48/40/62/583484062.db2.gz STNSRLDCCODLNR-MFKMUULPSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2C[C@H]3COC[C@]3(C)C2)nc[nH+]1 ZINC000894564571 583484112 /nfs/dbraw/zinc/48/41/12/583484112.db2.gz STNSRLDCCODLNR-GWCFXTLKSA-N 1 2 248.330 1.015 20 0 BDADLO CN(C)c1cc(N2C[C@H]3COC[C@]3(C)C2)[nH+]cn1 ZINC000894564571 583484114 /nfs/dbraw/zinc/48/41/14/583484114.db2.gz STNSRLDCCODLNR-GWCFXTLKSA-N 1 2 248.330 1.015 20 0 BDADLO Cc1coc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000894566083 583484222 /nfs/dbraw/zinc/48/42/22/583484222.db2.gz JUEUPHQXSMQNIB-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO Cc1coc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000894566083 583484223 /nfs/dbraw/zinc/48/42/23/583484223.db2.gz JUEUPHQXSMQNIB-MEDUHNTESA-N 1 2 241.356 1.931 20 0 BDADLO C[C@@]12COC[C@H]1CN(c1nccn3c[nH+]cc13)C2 ZINC000894564135 583484286 /nfs/dbraw/zinc/48/42/86/583484286.db2.gz OWXZKXSVRQAJNE-ZWNOBZJWSA-N 1 2 244.298 1.202 20 0 BDADLO Cc1coc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c1 ZINC000894566752 583484931 /nfs/dbraw/zinc/48/49/31/583484931.db2.gz ODDLREMBNANPGN-BZNIZROVSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1coc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)c1 ZINC000894566752 583484933 /nfs/dbraw/zinc/48/49/33/583484933.db2.gz ODDLREMBNANPGN-BZNIZROVSA-N 1 2 241.356 1.788 20 0 BDADLO Cc1ncoc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000894566695 583485168 /nfs/dbraw/zinc/48/51/68/583485168.db2.gz NADXGPAGRQCATP-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cc1ncoc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000894566695 583485169 /nfs/dbraw/zinc/48/51/69/583485169.db2.gz NADXGPAGRQCATP-XXFAHNHDSA-N 1 2 242.344 1.183 20 0 BDADLO Cn1c[nH+]c(CNC(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000894567828 583485339 /nfs/dbraw/zinc/48/53/39/583485339.db2.gz ZVDDENSFPRFJJM-WDEREUQCSA-N 1 2 234.303 1.018 20 0 BDADLO CN(Cc1ccn(C)c1)Cc1[nH]cc[nH+]1 ZINC000894586738 583489353 /nfs/dbraw/zinc/48/93/53/583489353.db2.gz UHUVAWVVFBZWQK-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1ccc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000894586738 583489356 /nfs/dbraw/zinc/48/93/56/583489356.db2.gz UHUVAWVVFBZWQK-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO Cn1ccc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000894586738 583489357 /nfs/dbraw/zinc/48/93/57/583489357.db2.gz UHUVAWVVFBZWQK-UHFFFAOYSA-N 1 2 204.277 1.380 20 0 BDADLO C[C@H]1CN(c2nccn3c[nH+]cc23)C[C@@]1(C)CO ZINC000894623783 583496172 /nfs/dbraw/zinc/49/61/72/583496172.db2.gz RAPMKPRESQSPFK-GWCFXTLKSA-N 1 2 246.314 1.184 20 0 BDADLO CNc1cc(N(C)CC2=CCSC2)nc[nH+]1 ZINC000894637880 583498406 /nfs/dbraw/zinc/49/84/06/583498406.db2.gz CRJRRHXXEYEUFO-UHFFFAOYSA-N 1 2 236.344 1.628 20 0 BDADLO CNc1cc(N(C)CC2=CCSC2)[nH+]cn1 ZINC000894637880 583498407 /nfs/dbraw/zinc/49/84/07/583498407.db2.gz CRJRRHXXEYEUFO-UHFFFAOYSA-N 1 2 236.344 1.628 20 0 BDADLO Cc1nc(C[NH+]2CC3(C2)CCOC3)sc1C ZINC000894649578 583499839 /nfs/dbraw/zinc/49/98/39/583499839.db2.gz POIRRDDKSAAGKN-UHFFFAOYSA-N 1 2 238.356 1.982 20 0 BDADLO CN(C[C@@H]1CC1(C)C)c1nc(N)[nH+]c(C2CC2)n1 ZINC000894651903 583500117 /nfs/dbraw/zinc/50/01/17/583500117.db2.gz VHVKHUHQBVMZTK-VIFPVBQESA-N 1 2 247.346 1.814 20 0 BDADLO CN(C[C@@H]1CC1(C)C)c1nc(N)nc(C2CC2)[nH+]1 ZINC000894651903 583500118 /nfs/dbraw/zinc/50/01/18/583500118.db2.gz VHVKHUHQBVMZTK-VIFPVBQESA-N 1 2 247.346 1.814 20 0 BDADLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)o1 ZINC000894675481 583505022 /nfs/dbraw/zinc/50/50/22/583505022.db2.gz GSNWVUBTADSMIF-UHFFFAOYSA-N 1 2 248.286 1.574 20 0 BDADLO CCn1ncc(CNc2cccc([C@H](C)O)[nH+]2)n1 ZINC000894698464 583510818 /nfs/dbraw/zinc/51/08/18/583510818.db2.gz XPCRNWQHHNNHLS-VIFPVBQESA-N 1 2 247.302 1.358 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccnc(F)c2C)[nH]1 ZINC000894778548 583519611 /nfs/dbraw/zinc/51/96/11/583519611.db2.gz RPMWOVAEQYFJQV-MRVPVSSYSA-N 1 2 249.293 1.806 20 0 BDADLO Cc1c[nH]c(CNc2ncnc3onc(C)c32)[nH+]1 ZINC000894790487 583519746 /nfs/dbraw/zinc/51/97/46/583519746.db2.gz NPKXFPHYJJTQAB-UHFFFAOYSA-N 1 2 244.258 1.570 20 0 BDADLO CC(C)c1c[nH]c(CN(C)Cc2nncn2C)[nH+]1 ZINC000894781465 583520522 /nfs/dbraw/zinc/52/05/22/583520522.db2.gz PTAFUJKQWAHYNP-UHFFFAOYSA-N 1 2 248.334 1.294 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](O)C2(C)C)c1C ZINC000894814840 583524039 /nfs/dbraw/zinc/52/40/39/583524039.db2.gz KQGDOOKGGVNAPJ-NSHDSACASA-N 1 2 223.320 1.372 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](O)C2(C)C)c1C ZINC000894814840 583524042 /nfs/dbraw/zinc/52/40/42/583524042.db2.gz KQGDOOKGGVNAPJ-NSHDSACASA-N 1 2 223.320 1.372 20 0 BDADLO CC1(O)C[NH+](Cc2nccc3c2CCCC3)C1 ZINC000894829817 583527679 /nfs/dbraw/zinc/52/76/79/583527679.db2.gz BJEAZRCSPNNZQW-UHFFFAOYSA-N 1 2 232.327 1.527 20 0 BDADLO C[C@H](NCc1[nH+]ccn1C1CC1)c1ccn(C)n1 ZINC000894865804 583537040 /nfs/dbraw/zinc/53/70/40/583537040.db2.gz MZNVTGXTDHGCOD-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1ccn(C)n1 ZINC000894865804 583537041 /nfs/dbraw/zinc/53/70/41/583537041.db2.gz MZNVTGXTDHGCOD-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cn(C3CCC3)nn2)[C@@H]1C ZINC000894862576 583537047 /nfs/dbraw/zinc/53/70/47/583537047.db2.gz ZEMAPIGYBATYAX-NXEZZACHSA-N 1 2 220.320 1.843 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)[C@@H]1C ZINC000894862576 583537048 /nfs/dbraw/zinc/53/70/48/583537048.db2.gz ZEMAPIGYBATYAX-NXEZZACHSA-N 1 2 220.320 1.843 20 0 BDADLO Clc1ccc(C[NH+]2CC3(C2)CCOC3)nc1 ZINC000894868102 583538615 /nfs/dbraw/zinc/53/86/15/583538615.db2.gz DLHJIAQWDFWNQL-UHFFFAOYSA-N 1 2 238.718 1.957 20 0 BDADLO CCNc1cc(CNc2cnccn2)cc[nH+]1 ZINC000894873185 583540389 /nfs/dbraw/zinc/54/03/89/583540389.db2.gz NVILYWHDDLLEMX-UHFFFAOYSA-N 1 2 229.287 1.916 20 0 BDADLO FCC(CF)[NH2+][C@H]1CCc2cccnc21 ZINC000894873817 583540681 /nfs/dbraw/zinc/54/06/81/583540681.db2.gz OQTCGCGWOQCBNH-JTQLQIEISA-N 1 2 212.243 1.966 20 0 BDADLO CS[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894880118 583543475 /nfs/dbraw/zinc/54/34/75/583543475.db2.gz IPDIYTIWJPDOAH-JTQLQIEISA-N 1 2 225.361 1.964 20 0 BDADLO CS[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894880118 583543476 /nfs/dbraw/zinc/54/34/76/583543476.db2.gz IPDIYTIWJPDOAH-JTQLQIEISA-N 1 2 225.361 1.964 20 0 BDADLO CONC(=O)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000857762468 588909826 /nfs/dbraw/zinc/90/98/26/588909826.db2.gz DPBHLVGZTDCFCS-QJPTWQEYSA-N 1 2 240.347 1.613 20 0 BDADLO C[C@H]1C[N@H+](C/C=C/c2cccc(F)c2)CC(=O)N1 ZINC000894901371 583551740 /nfs/dbraw/zinc/55/17/40/583551740.db2.gz CTAJUDIBAMTRPY-TZNOJPMFSA-N 1 2 248.301 1.659 20 0 BDADLO C[C@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CC(=O)N1 ZINC000894901371 583551742 /nfs/dbraw/zinc/55/17/42/583551742.db2.gz CTAJUDIBAMTRPY-TZNOJPMFSA-N 1 2 248.301 1.659 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C[C@@H]1C ZINC000894905062 583552978 /nfs/dbraw/zinc/55/29/78/583552978.db2.gz RKKRMPVVRWLFTN-TVQRCGJNSA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C[C@@H]1C ZINC000894905062 583552980 /nfs/dbraw/zinc/55/29/80/583552980.db2.gz RKKRMPVVRWLFTN-TVQRCGJNSA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C[C@H]1C ZINC000894905056 583553048 /nfs/dbraw/zinc/55/30/48/583553048.db2.gz RKKRMPVVRWLFTN-RNCFNFMXSA-N 1 2 237.347 1.883 20 0 BDADLO CO[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C[C@H]1C ZINC000894905056 583553049 /nfs/dbraw/zinc/55/30/49/583553049.db2.gz RKKRMPVVRWLFTN-RNCFNFMXSA-N 1 2 237.347 1.883 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)nc[nH+]2)[C@H](C)O1 ZINC000894920004 583555470 /nfs/dbraw/zinc/55/54/70/583555470.db2.gz BKBMYXYBPMZGMS-UTLUCORTSA-N 1 2 236.319 1.520 20 0 BDADLO C[C@@H]1C[C@H](Nc2cc(N(C)C)[nH+]cn2)[C@H](C)O1 ZINC000894920004 583555471 /nfs/dbraw/zinc/55/54/71/583555471.db2.gz BKBMYXYBPMZGMS-UTLUCORTSA-N 1 2 236.319 1.520 20 0 BDADLO Cc1ncoc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000894985776 583564277 /nfs/dbraw/zinc/56/42/77/583564277.db2.gz JBKVHAARPXHDMM-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO Cc1ncoc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000894985776 583564281 /nfs/dbraw/zinc/56/42/81/583564281.db2.gz JBKVHAARPXHDMM-ZDUSSCGKSA-N 1 2 236.315 1.984 20 0 BDADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)CCS1 ZINC000895038755 583570156 /nfs/dbraw/zinc/57/01/56/583570156.db2.gz YHQSBFXYRFJTIE-SECBINFHSA-N 1 2 234.328 1.671 20 0 BDADLO CC1(C)C[C@@]1(C)CNC(=O)CCn1cc[nH+]c1 ZINC000881541395 583576399 /nfs/dbraw/zinc/57/63/99/583576399.db2.gz NFUMCVITXYXOAM-ZDUSSCGKSA-N 1 2 235.331 1.826 20 0 BDADLO CCc1nc(N(C)Cc2ncccn2)cc[nH+]1 ZINC000895061419 583576969 /nfs/dbraw/zinc/57/69/69/583576969.db2.gz DTBHBOGTUCRCSJ-UHFFFAOYSA-N 1 2 229.287 1.465 20 0 BDADLO c1nc(CN2CCc3[nH+]c[nH]c3C23CCC3)co1 ZINC000895068624 583578681 /nfs/dbraw/zinc/57/86/81/583578681.db2.gz IVZIZYLKNOPTDZ-UHFFFAOYSA-N 1 2 244.298 1.835 20 0 BDADLO O=C(NC/C=C\Cl)N[C@H]1CCn2cc[nH+]c21 ZINC000895078954 583582396 /nfs/dbraw/zinc/58/23/96/583582396.db2.gz ZQHNITIGRNDLPE-CJKINAQCSA-N 1 2 240.694 1.380 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1CC(C)(C)CC[C@H]1C ZINC000895148788 583605651 /nfs/dbraw/zinc/60/56/51/583605651.db2.gz OXCSEZOCMPPQDG-MNOVXSKESA-N 1 2 242.363 1.859 20 0 BDADLO c1[nH+]cn2ccnc(N3C[C@@H]4C[C@@H]4C3)c12 ZINC000895183527 583618706 /nfs/dbraw/zinc/61/87/06/583618706.db2.gz ZORBXHDGIPEXAJ-DTORHVGOSA-N 1 2 200.245 1.185 20 0 BDADLO COCc1cc[nH+]c(N[C@@H](C)COC(C)=O)c1 ZINC000895187615 583620023 /nfs/dbraw/zinc/62/00/23/583620023.db2.gz VESAWARSMPZJNB-VIFPVBQESA-N 1 2 238.287 1.592 20 0 BDADLO CCn1cc(CNc2cc(COC)cc[nH+]2)nn1 ZINC000895187573 583620311 /nfs/dbraw/zinc/62/03/11/583620311.db2.gz TWDDAQXWKJJWLH-UHFFFAOYSA-N 1 2 247.302 1.452 20 0 BDADLO FCCn1cc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000895191095 583621359 /nfs/dbraw/zinc/62/13/59/583621359.db2.gz HCLRWKHXEWIWKY-LLVKDONJSA-N 1 2 229.274 1.787 20 0 BDADLO FCCn1cc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000895191095 583621361 /nfs/dbraw/zinc/62/13/61/583621361.db2.gz HCLRWKHXEWIWKY-LLVKDONJSA-N 1 2 229.274 1.787 20 0 BDADLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H](F)C1)CCC2 ZINC000895191770 583621815 /nfs/dbraw/zinc/62/18/15/583621815.db2.gz RYTUTXYDLMQKLS-SNVBAGLBSA-N 1 2 237.322 1.843 20 0 BDADLO Cn1nc2c(c1C[N@H+]1CCC[C@@H](F)C1)CCC2 ZINC000895191770 583621818 /nfs/dbraw/zinc/62/18/18/583621818.db2.gz RYTUTXYDLMQKLS-SNVBAGLBSA-N 1 2 237.322 1.843 20 0 BDADLO CCc1cc(N[C@]23C[C@H]2COC3)nc(CC)[nH+]1 ZINC000895195695 583623709 /nfs/dbraw/zinc/62/37/09/583623709.db2.gz YPPIKJWKJBUDAE-ZANVPECISA-N 1 2 233.315 1.802 20 0 BDADLO CNc1cc(NC[C@@H]2CC3(CCC3)CO2)[nH+]cn1 ZINC000895211042 583626983 /nfs/dbraw/zinc/62/69/83/583626983.db2.gz XDVMHYDDQCHZLY-JTQLQIEISA-N 1 2 248.330 1.889 20 0 BDADLO Cc1[nH+]cnc(N2C[C@H](C)[C@](C)(CO)C2)c1C ZINC000882636611 583629127 /nfs/dbraw/zinc/62/91/27/583629127.db2.gz XECIZFGUXNFVTI-ZANVPECISA-N 1 2 235.331 1.548 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2c[nH]cn2)C1 ZINC000895251286 583633227 /nfs/dbraw/zinc/63/32/27/583633227.db2.gz ICQHCHTVZSNVPP-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO COCC1(C2CCC2)C[NH+](Cc2cnc[nH]2)C1 ZINC000895251286 583633228 /nfs/dbraw/zinc/63/32/28/583633228.db2.gz ICQHCHTVZSNVPP-UHFFFAOYSA-N 1 2 235.331 1.658 20 0 BDADLO O=C1OCC[C@@H]1CC[N@@H+]1Cc2ccncc2C1 ZINC000857876195 588918295 /nfs/dbraw/zinc/91/82/95/588918295.db2.gz NFYOHYLDZVJMPF-JTQLQIEISA-N 1 2 232.283 1.350 20 0 BDADLO O=C1OCC[C@@H]1CC[N@H+]1Cc2ccncc2C1 ZINC000857876195 588918296 /nfs/dbraw/zinc/91/82/96/588918296.db2.gz NFYOHYLDZVJMPF-JTQLQIEISA-N 1 2 232.283 1.350 20 0 BDADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1C ZINC000895376682 583661469 /nfs/dbraw/zinc/66/14/69/583661469.db2.gz IAZSDHYXZKWBOU-CABZTGNLSA-N 1 2 237.347 1.477 20 0 BDADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1C ZINC000895376682 583661470 /nfs/dbraw/zinc/66/14/70/583661470.db2.gz IAZSDHYXZKWBOU-CABZTGNLSA-N 1 2 237.347 1.477 20 0 BDADLO CC(C)CCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000895397701 583664569 /nfs/dbraw/zinc/66/45/69/583664569.db2.gz JLGBKHJLZQELGZ-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO CC(C)CCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000895397701 583664570 /nfs/dbraw/zinc/66/45/70/583664570.db2.gz JLGBKHJLZQELGZ-UHFFFAOYSA-N 1 2 219.350 1.151 20 0 BDADLO CC(C)c1c[nH]c(CN2CC3(C2)CCCO3)[nH+]1 ZINC000895394162 583664687 /nfs/dbraw/zinc/66/46/87/583664687.db2.gz VQPORYCKSONMDM-UHFFFAOYSA-N 1 2 235.331 1.898 20 0 BDADLO C[N@H+](CC1CCCCC1)C1CS(=O)(=O)C1 ZINC000895398568 583665097 /nfs/dbraw/zinc/66/50/97/583665097.db2.gz VWJBZNRFJNHCOG-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO C[N@@H+](CC1CCCCC1)C1CS(=O)(=O)C1 ZINC000895398568 583665098 /nfs/dbraw/zinc/66/50/98/583665098.db2.gz VWJBZNRFJNHCOG-UHFFFAOYSA-N 1 2 231.361 1.296 20 0 BDADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1CCCOC1 ZINC000895430609 583669692 /nfs/dbraw/zinc/66/96/92/583669692.db2.gz GKONDHFZGDYRML-IUCAKERBSA-N 1 2 205.248 1.752 20 0 BDADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1CCCOC1 ZINC000895430609 583669695 /nfs/dbraw/zinc/66/96/95/583669695.db2.gz GKONDHFZGDYRML-IUCAKERBSA-N 1 2 205.248 1.752 20 0 BDADLO CO[C@@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CCOCC1 ZINC000895431356 583670045 /nfs/dbraw/zinc/67/00/45/583670045.db2.gz LLVVNSSFOFPWGN-MNOVXSKESA-N 1 2 249.301 1.767 20 0 BDADLO CO[C@@H](C[N@H+]1CC[C@@H]1C(F)F)C1CCOCC1 ZINC000895431356 583670046 /nfs/dbraw/zinc/67/00/46/583670046.db2.gz LLVVNSSFOFPWGN-MNOVXSKESA-N 1 2 249.301 1.767 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NC(C)C)c[nH+]1 ZINC000895423740 583674215 /nfs/dbraw/zinc/67/42/15/583674215.db2.gz CKVAPCZMMYWXRA-UHFFFAOYSA-N 1 2 209.293 1.451 20 0 BDADLO Cn1c[nH+]cc1CN1CC[C@@H]1C(F)F ZINC000895436820 583674476 /nfs/dbraw/zinc/67/44/76/583674476.db2.gz PZXVITGMLVIDII-MRVPVSSYSA-N 1 2 201.220 1.260 20 0 BDADLO CC(C)(C)OC1CN(Cc2c[nH+]c[nH]2)C1 ZINC000895467812 583678646 /nfs/dbraw/zinc/67/86/46/583678646.db2.gz OKVTXKGWENOLAR-UHFFFAOYSA-N 1 2 209.293 1.409 20 0 BDADLO CC(C)(C)OC1CN(Cc2c[nH]c[nH+]2)C1 ZINC000895467812 583678647 /nfs/dbraw/zinc/67/86/47/583678647.db2.gz OKVTXKGWENOLAR-UHFFFAOYSA-N 1 2 209.293 1.409 20 0 BDADLO CN(C)c1cc[nH+]c(CNc2ncccn2)c1 ZINC000895467092 583679008 /nfs/dbraw/zinc/67/90/08/583679008.db2.gz BEEGDTVUQAQFFF-UHFFFAOYSA-N 1 2 229.287 1.550 20 0 BDADLO Nc1ncc2c(n1)C[N@@H+](Cc1ccsc1)CC2 ZINC000857923845 588924409 /nfs/dbraw/zinc/92/44/09/588924409.db2.gz NWMLNJDVKGZDTO-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1ncc2c(n1)C[N@H+](Cc1ccsc1)CC2 ZINC000857923845 588924411 /nfs/dbraw/zinc/92/44/11/588924411.db2.gz NWMLNJDVKGZDTO-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO CCC/C(C)=C\C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887817 588921260 /nfs/dbraw/zinc/92/12/60/588921260.db2.gz PAZNXWXDTFPRPH-GULOHRGCSA-N 1 2 233.315 1.670 20 0 BDADLO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC000895535342 583684143 /nfs/dbraw/zinc/68/41/43/583684143.db2.gz ZMCDMTZDAQZZDL-POYBYMJQSA-N 1 2 245.124 1.068 20 0 BDADLO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC000895535342 583684145 /nfs/dbraw/zinc/68/41/45/583684145.db2.gz ZMCDMTZDAQZZDL-POYBYMJQSA-N 1 2 245.124 1.068 20 0 BDADLO NC(CO)=[NH+]OCCOc1ccccc1Cl ZINC000883009370 583686122 /nfs/dbraw/zinc/68/61/22/583686122.db2.gz FTOIIEPPMKJBST-UHFFFAOYSA-N 1 2 244.678 1.210 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cnc(F)cc2C)n1 ZINC000895559570 583691055 /nfs/dbraw/zinc/69/10/55/583691055.db2.gz BXMDDGGDXSCPHO-UHFFFAOYSA-N 1 2 249.293 1.430 20 0 BDADLO CCc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)no1 ZINC000895704287 583710510 /nfs/dbraw/zinc/71/05/10/583710510.db2.gz MOBXAIXUXCJYRB-SECBINFHSA-N 1 2 248.286 1.252 20 0 BDADLO C[C@@H](CCO)Nc1c[nH+]cc(N(C)C)c1 ZINC000895698298 583711011 /nfs/dbraw/zinc/71/10/11/583711011.db2.gz AVNXORBPCLQMPD-VIFPVBQESA-N 1 2 209.293 1.330 20 0 BDADLO OCc1ccc(C[N@@H+]2CCc3ncncc3C2)o1 ZINC000895723046 583712990 /nfs/dbraw/zinc/71/29/90/583712990.db2.gz PEMRAFFSFWOEJL-UHFFFAOYSA-N 1 2 245.282 1.120 20 0 BDADLO OCc1ccc(C[N@H+]2CCc3ncncc3C2)o1 ZINC000895723046 583712992 /nfs/dbraw/zinc/71/29/92/583712992.db2.gz PEMRAFFSFWOEJL-UHFFFAOYSA-N 1 2 245.282 1.120 20 0 BDADLO Cc1nn(C)c(C[NH2+]C2(C)COC2)c1Cl ZINC000895754388 583720718 /nfs/dbraw/zinc/72/07/18/583720718.db2.gz NSOAOIRODPJXQP-UHFFFAOYSA-N 1 2 229.711 1.260 20 0 BDADLO Cc1ccc(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000895756737 583720933 /nfs/dbraw/zinc/72/09/33/583720933.db2.gz JJVGQRRQGOJVTD-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO Cc1ccc(C[N@H+]2CCCn3nncc3C2)o1 ZINC000895756737 583720936 /nfs/dbraw/zinc/72/09/36/583720936.db2.gz JJVGQRRQGOJVTD-UHFFFAOYSA-N 1 2 232.287 1.585 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)CCO1 ZINC000895762757 583722817 /nfs/dbraw/zinc/72/28/17/583722817.db2.gz SUDUNNKMUYDPMT-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO C[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)CCO1 ZINC000895762757 583722818 /nfs/dbraw/zinc/72/28/18/583722818.db2.gz SUDUNNKMUYDPMT-JTQLQIEISA-N 1 2 248.330 1.666 20 0 BDADLO O=C(C=C1CCCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857952946 588924714 /nfs/dbraw/zinc/92/47/14/588924714.db2.gz XIDWSSXRJLKHRT-LBPRGKRZSA-N 1 2 245.326 1.815 20 0 BDADLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H]1CCOC1=O ZINC000895811041 583730378 /nfs/dbraw/zinc/73/03/78/583730378.db2.gz DIKDFNDQRSBDGU-GARJFASQSA-N 1 2 241.331 1.485 20 0 BDADLO CC[C@@H](C[NH+]1CCOCC1)Nc1nccs1 ZINC000895800219 583731068 /nfs/dbraw/zinc/73/10/68/583731068.db2.gz XDSYFWNPNXHPMU-JTQLQIEISA-N 1 2 241.360 1.666 20 0 BDADLO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCOC1=O ZINC000895803807 583731292 /nfs/dbraw/zinc/73/12/92/583731292.db2.gz FYEOMAFIQAOKKL-JQWIXIFHSA-N 1 2 249.310 1.531 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000895806012 583732081 /nfs/dbraw/zinc/73/20/81/583732081.db2.gz ZKVNEMGSSAPMIT-GDKBPFBDSA-N 1 2 249.285 1.977 20 0 BDADLO O=C1OCC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000895808347 583732748 /nfs/dbraw/zinc/73/27/48/583732748.db2.gz GDLOGQJIZVPBAN-AWEZNQCLSA-N 1 2 245.322 1.839 20 0 BDADLO CS/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857962805 588925585 /nfs/dbraw/zinc/92/55/85/588925585.db2.gz MTDHVMXPAVBFRR-AZVKUDOFSA-N 1 2 237.328 1.191 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccco2)[C@H](C)C(=O)N1C ZINC000895919925 583746881 /nfs/dbraw/zinc/74/68/81/583746881.db2.gz IHWRBRCERDQNFW-GMTAPVOTSA-N 1 2 236.315 1.719 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccco2)[C@H](C)C(=O)N1C ZINC000895919925 583746882 /nfs/dbraw/zinc/74/68/82/583746882.db2.gz IHWRBRCERDQNFW-GMTAPVOTSA-N 1 2 236.315 1.719 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000857976073 588926302 /nfs/dbraw/zinc/92/63/02/588926302.db2.gz WUJAPISYBZIMTK-IRCOFANPSA-N 1 2 245.326 1.880 20 0 BDADLO CC(C)OC1C[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000895955908 583752708 /nfs/dbraw/zinc/75/27/08/583752708.db2.gz XQWBAZJDJHFLGF-UHFFFAOYSA-N 1 2 222.288 1.396 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2cc(C)oc2C)CCO1 ZINC000895967691 583754282 /nfs/dbraw/zinc/75/42/82/583754282.db2.gz AVGODWMACVDAKT-LBPRGKRZSA-N 1 2 225.288 1.701 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2cc(C)oc2C)CCO1 ZINC000895967691 583754283 /nfs/dbraw/zinc/75/42/83/583754283.db2.gz AVGODWMACVDAKT-LBPRGKRZSA-N 1 2 225.288 1.701 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccc(F)c(C)c2)CCO1 ZINC000895969145 583755301 /nfs/dbraw/zinc/75/53/01/583755301.db2.gz YBXGMZBFUPUBJL-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccc(F)c(C)c2)CCO1 ZINC000895969145 583755304 /nfs/dbraw/zinc/75/53/04/583755304.db2.gz YBXGMZBFUPUBJL-CYBMUJFWSA-N 1 2 239.290 1.939 20 0 BDADLO CCC[C@@H](OC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977788 588926817 /nfs/dbraw/zinc/92/68/17/588926817.db2.gz HGQXWHJUMVHAAB-GXSJLCMTSA-N 1 2 237.303 1.259 20 0 BDADLO CO[C@@H]1C[N@H+](Cc2sccc2C)CCO1 ZINC000895971565 583756167 /nfs/dbraw/zinc/75/61/67/583756167.db2.gz YUYISPHMCRHULS-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO CO[C@@H]1C[N@@H+](Cc2sccc2C)CCO1 ZINC000895971565 583756168 /nfs/dbraw/zinc/75/61/68/583756168.db2.gz YUYISPHMCRHULS-NSHDSACASA-N 1 2 227.329 1.861 20 0 BDADLO COCC1C[NH+](Cc2cn(C3CCC3)nn2)C1 ZINC000895974713 583756618 /nfs/dbraw/zinc/75/66/18/583756618.db2.gz IWFQQWFBCKOVFQ-UHFFFAOYSA-N 1 2 236.319 1.081 20 0 BDADLO COCC1C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000895975143 583756873 /nfs/dbraw/zinc/75/68/73/583756873.db2.gz PORJKMSFXYTUSI-UHFFFAOYSA-N 1 2 235.331 1.298 20 0 BDADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1nccs1 ZINC000857978518 588927084 /nfs/dbraw/zinc/92/70/84/588927084.db2.gz HLBLURKSHGMEEL-SSDOTTSWSA-N 1 2 234.284 1.214 20 0 BDADLO Cc1cc(CCNc2nc[nH+]c(C)c2C)nn1C ZINC000896024294 583762304 /nfs/dbraw/zinc/76/23/04/583762304.db2.gz XGEYJCKRJQVNHL-UHFFFAOYSA-N 1 2 245.330 1.790 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980601 588927422 /nfs/dbraw/zinc/92/74/22/588927422.db2.gz LYCJWQRKQKJMGY-IUCAKERBSA-N 1 2 239.344 1.586 20 0 BDADLO CS[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980600 588927480 /nfs/dbraw/zinc/92/74/80/588927480.db2.gz LYCJWQRKQKJMGY-DTWKUNHWSA-N 1 2 239.344 1.586 20 0 BDADLO COC(=O)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H](C)O ZINC000896043299 583767008 /nfs/dbraw/zinc/76/70/08/583767008.db2.gz OWNLINMUODQTCQ-ZIQFBCGOSA-N 1 2 241.331 1.077 20 0 BDADLO CCn1nnc(C)c1C[NH+]1CC2(CC2)C1 ZINC000896122506 583773795 /nfs/dbraw/zinc/77/37/95/583773795.db2.gz URITYSIBXXOYSX-UHFFFAOYSA-N 1 2 206.293 1.202 20 0 BDADLO CC(C)c1nc(NCC[C@H]2CNC(=O)C2)cc[nH+]1 ZINC000896139917 583775473 /nfs/dbraw/zinc/77/54/73/583775473.db2.gz CWTCMDUBQCEVTG-SNVBAGLBSA-N 1 2 248.330 1.538 20 0 BDADLO CSCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989202 588929085 /nfs/dbraw/zinc/92/90/85/588929085.db2.gz MHKFHQLZSITNNW-QMMMGPOBSA-N 1 2 225.317 1.197 20 0 BDADLO CCC[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986271 588929154 /nfs/dbraw/zinc/92/91/54/588929154.db2.gz OMDYZQZMNNCLJI-UWVGGRQHSA-N 1 2 221.304 1.880 20 0 BDADLO CCC[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986273 588929505 /nfs/dbraw/zinc/92/95/05/588929505.db2.gz OMDYZQZMNNCLJI-ZJUUUORDSA-N 1 2 221.304 1.880 20 0 BDADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc[nH]c1 ZINC000857987721 588929533 /nfs/dbraw/zinc/92/95/33/588929533.db2.gz YXTLHUWAZQIBSF-VIFPVBQESA-N 1 2 216.244 1.086 20 0 BDADLO CCO[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000896404884 583799783 /nfs/dbraw/zinc/79/97/83/583799783.db2.gz HLTWTAGFSYWHNL-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CCO[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000896404884 583799784 /nfs/dbraw/zinc/79/97/84/583799784.db2.gz HLTWTAGFSYWHNL-NSHDSACASA-N 1 2 248.330 1.666 20 0 BDADLO CCO[C@H]1CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000896407282 583800468 /nfs/dbraw/zinc/80/04/68/583800468.db2.gz OYMCPEHGBICMOD-JTQLQIEISA-N 1 2 246.314 1.882 20 0 BDADLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCOC2(CCC2)C1 ZINC000896497512 583807068 /nfs/dbraw/zinc/80/70/68/583807068.db2.gz LJIVXJPEVSBIGH-SNVBAGLBSA-N 1 2 249.314 1.375 20 0 BDADLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCOC2(CCC2)C1 ZINC000896497512 583807069 /nfs/dbraw/zinc/80/70/69/583807069.db2.gz LJIVXJPEVSBIGH-SNVBAGLBSA-N 1 2 249.314 1.375 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2c(Cl)cnn2C)CCO1 ZINC000896584593 583815294 /nfs/dbraw/zinc/81/52/94/583815294.db2.gz PZRIGILVSIIMAK-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2c(Cl)cnn2C)CCO1 ZINC000896584593 583815295 /nfs/dbraw/zinc/81/52/95/583815295.db2.gz PZRIGILVSIIMAK-SECBINFHSA-N 1 2 243.738 1.684 20 0 BDADLO Cc1nc(N2CCOC[C@H]2CC2CC2)cc[nH+]1 ZINC000896639462 583819945 /nfs/dbraw/zinc/81/99/45/583819945.db2.gz UUGMSTPZZDYFSL-GFCCVEGCSA-N 1 2 233.315 1.790 20 0 BDADLO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2C)[nH+]c1C ZINC000896913435 583854226 /nfs/dbraw/zinc/85/42/26/583854226.db2.gz FGSITNQZVFKBDS-RCOVLWMOSA-N 1 2 207.277 1.299 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896922128 583856871 /nfs/dbraw/zinc/85/68/71/583856871.db2.gz KQWHFSJWOMNSNR-UWVGGRQHSA-N 1 2 237.303 1.068 20 0 BDADLO CCCC[C@@H](CC)[NH2+]CC(=O)NOC ZINC000896925814 583858023 /nfs/dbraw/zinc/85/80/23/583858023.db2.gz ANHGYELCWPCDPU-SECBINFHSA-N 1 2 202.298 1.222 20 0 BDADLO CONC(=O)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000896926981 583858865 /nfs/dbraw/zinc/85/88/65/583858865.db2.gz MULBDQJQXBIUSJ-NSHDSACASA-N 1 2 236.315 1.132 20 0 BDADLO Cc1[nH]c(CNC(=O)C(C)(C)C)[nH+]c1C ZINC000896928062 583859399 /nfs/dbraw/zinc/85/93/99/583859399.db2.gz RMEKRNFWVURWHD-UHFFFAOYSA-N 1 2 209.293 1.689 20 0 BDADLO CCc1nc(N(CC)CCC(=O)NC)cc[nH+]1 ZINC000896978986 583866100 /nfs/dbraw/zinc/86/61/00/583866100.db2.gz ZOHAOLINRMVBHB-UHFFFAOYSA-N 1 2 236.319 1.001 20 0 BDADLO Fc1c[nH+]ccc1N1CCC[C@@H]1C1OCCO1 ZINC000897003654 583868982 /nfs/dbraw/zinc/86/89/82/583868982.db2.gz FAQVSZIWEYQURI-LLVKDONJSA-N 1 2 238.262 1.562 20 0 BDADLO Cc1cc(N2CCC[C@@H]2C2OCCO2)nc[nH+]1 ZINC000897003834 583868985 /nfs/dbraw/zinc/86/89/85/583868985.db2.gz HQJGHIKWTPYRRJ-SNVBAGLBSA-N 1 2 235.287 1.127 20 0 BDADLO CCn1cc(C[NH2+]Cc2ccnc(F)c2)nn1 ZINC000858189356 588938162 /nfs/dbraw/zinc/93/81/62/588938162.db2.gz KPNHJLYCMBDIAY-UHFFFAOYSA-N 1 2 235.266 1.122 20 0 BDADLO CCO[C@H]1CC[N@H+](Cc2c(Cl)cnn2C)C1 ZINC000897068683 583877245 /nfs/dbraw/zinc/87/72/45/583877245.db2.gz XKLXOXKEIWXNOQ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000897068683 583877246 /nfs/dbraw/zinc/87/72/46/583877246.db2.gz XKLXOXKEIWXNOQ-VIFPVBQESA-N 1 2 243.738 1.684 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000869455876 583878553 /nfs/dbraw/zinc/87/85/53/583878553.db2.gz JIGUYONEZXYXOG-PBKGFPTLSA-N 1 2 246.301 1.656 20 0 BDADLO C/C=C/CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000869455876 583878556 /nfs/dbraw/zinc/87/85/56/583878556.db2.gz JIGUYONEZXYXOG-PBKGFPTLSA-N 1 2 246.301 1.656 20 0 BDADLO CO[C@H]1CC[C@H]1N(C)c1nccn2c[nH+]cc12 ZINC000897142113 583883476 /nfs/dbraw/zinc/88/34/76/583883476.db2.gz GDJIGRBONXZIFP-KOLCDFICSA-N 1 2 232.287 1.343 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1cc(N(C)C)[nH+]cn1 ZINC000897142567 583883667 /nfs/dbraw/zinc/88/36/67/583883667.db2.gz OJRCXMFFDOGCGR-UWVGGRQHSA-N 1 2 236.319 1.156 20 0 BDADLO CO[C@H]1CC[C@@H]1N(C)c1cc(N(C)C)nc[nH+]1 ZINC000897142567 583883669 /nfs/dbraw/zinc/88/36/69/583883669.db2.gz OJRCXMFFDOGCGR-UWVGGRQHSA-N 1 2 236.319 1.156 20 0 BDADLO Oc1cncc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000897305544 583912631 /nfs/dbraw/zinc/91/26/31/583912631.db2.gz WWJGJQKTUFFQEC-UHFFFAOYSA-N 1 2 245.282 1.942 20 0 BDADLO CCn1ncc(C[NH2+][C@@H](C)c2ccns2)n1 ZINC000858318547 588942981 /nfs/dbraw/zinc/94/29/81/588942981.db2.gz RFAGVMVKEDMNCP-QMMMGPOBSA-N 1 2 237.332 1.605 20 0 BDADLO COCC[N@H+](CC[S@](C)=O)Cc1ccco1 ZINC000798194307 583940696 /nfs/dbraw/zinc/94/06/96/583940696.db2.gz ZQXDSLAXOIUORE-INIZCTEOSA-N 1 2 245.344 1.107 20 0 BDADLO COCC[N@@H+](CC[S@](C)=O)Cc1ccco1 ZINC000798194307 583940699 /nfs/dbraw/zinc/94/06/99/583940699.db2.gz ZQXDSLAXOIUORE-INIZCTEOSA-N 1 2 245.344 1.107 20 0 BDADLO C[C@H]1COCC[N@@H+]1CCNc1cccc(F)n1 ZINC000729185613 583962864 /nfs/dbraw/zinc/96/28/64/583962864.db2.gz UYJVBJVZDFNTAP-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO C[C@H]1COCC[N@H+]1CCNc1cccc(F)n1 ZINC000729185613 583962867 /nfs/dbraw/zinc/96/28/67/583962867.db2.gz UYJVBJVZDFNTAP-JTQLQIEISA-N 1 2 239.294 1.353 20 0 BDADLO CCc1cc(N[C@H]2COC[C@H]2C2CC2)nc[nH+]1 ZINC000897448264 583987091 /nfs/dbraw/zinc/98/70/91/583987091.db2.gz VVWJUNDGLUJBFB-RYUDHWBXSA-N 1 2 233.315 1.876 20 0 BDADLO CO[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897512689 583999318 /nfs/dbraw/zinc/99/93/18/583999318.db2.gz XYVVVGNXJINRNI-JTQLQIEISA-N 1 2 239.319 1.078 20 0 BDADLO Cc1[nH]c(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c[nH+]1 ZINC000889593933 584023803 /nfs/dbraw/zinc/02/38/03/584023803.db2.gz RPTBCVUKOCRHBN-OPRDCNLKSA-N 1 2 219.288 1.637 20 0 BDADLO Cc1cn(C(C)(C)C(=O)N2[C@H](C)C[C@H]2C)c[nH+]1 ZINC000897614138 584031385 /nfs/dbraw/zinc/03/13/85/584031385.db2.gz VENJGMKCKSINKW-GHMZBOCLSA-N 1 2 235.331 1.936 20 0 BDADLO Cc1c(Cl)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)nn1C ZINC000897678377 584036105 /nfs/dbraw/zinc/03/61/05/584036105.db2.gz ATCGGCLYGAYPRD-XVKPBYJWSA-N 1 2 243.738 1.195 20 0 BDADLO Cc1c(Cl)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)nn1C ZINC000897678377 584036107 /nfs/dbraw/zinc/03/61/07/584036107.db2.gz ATCGGCLYGAYPRD-XVKPBYJWSA-N 1 2 243.738 1.195 20 0 BDADLO CCC[C@@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C(=O)OC ZINC000897834283 584053003 /nfs/dbraw/zinc/05/30/03/584053003.db2.gz LQOAIFOYCIBHFI-HRDYMLBCSA-N 1 2 235.274 1.961 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000898133389 584084873 /nfs/dbraw/zinc/08/48/73/584084873.db2.gz YJJYWHIYUMXRAB-SNVBAGLBSA-N 1 2 237.303 1.794 20 0 BDADLO Cc1nocc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898133389 584084874 /nfs/dbraw/zinc/08/48/74/584084874.db2.gz YJJYWHIYUMXRAB-SNVBAGLBSA-N 1 2 237.303 1.794 20 0 BDADLO Cc1c[nH]nc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160468 584087563 /nfs/dbraw/zinc/08/75/63/584087563.db2.gz GPICCUSONAOYSK-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO Cc1cn[nH]c1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160468 584087564 /nfs/dbraw/zinc/08/75/64/584087564.db2.gz GPICCUSONAOYSK-UHFFFAOYSA-N 1 2 231.299 1.986 20 0 BDADLO COc1ccccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898192331 584095455 /nfs/dbraw/zinc/09/54/55/584095455.db2.gz DNRBCIXGXOULOW-VXGBXAGGSA-N 1 2 239.290 1.600 20 0 BDADLO COc1ccccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898192331 584095457 /nfs/dbraw/zinc/09/54/57/584095457.db2.gz DNRBCIXGXOULOW-VXGBXAGGSA-N 1 2 239.290 1.600 20 0 BDADLO Oc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898194803 584095931 /nfs/dbraw/zinc/09/59/31/584095931.db2.gz PALVBYWGCJDZPV-NWDGAFQWSA-N 1 2 225.263 1.297 20 0 BDADLO Oc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898194803 584095932 /nfs/dbraw/zinc/09/59/32/584095932.db2.gz PALVBYWGCJDZPV-NWDGAFQWSA-N 1 2 225.263 1.297 20 0 BDADLO Cc1nc(N2CC[C@H]3CSC[C@@H]3C2)cc[nH+]1 ZINC000866204762 584116498 /nfs/dbraw/zinc/11/64/98/584116498.db2.gz ZMYXTBWNSBGGAL-QWRGUYRKSA-N 1 2 235.356 1.974 20 0 BDADLO CC(C)[C@H](C(=O)N=c1sccn1C)[NH+](C)C ZINC000730090056 584122382 /nfs/dbraw/zinc/12/23/82/584122382.db2.gz XFQKHOOAWYRQPE-SECBINFHSA-N 1 2 241.360 1.100 20 0 BDADLO Cl/C=C\C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000898428886 584133313 /nfs/dbraw/zinc/13/33/13/584133313.db2.gz KCSUUMKIDVKLEA-DJWKRKHSSA-N 1 2 226.711 1.845 20 0 BDADLO CCn1ncc(C[NH2+]C/C=C\Cl)n1 ZINC000898430156 584134345 /nfs/dbraw/zinc/13/43/45/584134345.db2.gz VUPPNTAWDBOVBT-ARJAWSKDSA-N 1 2 200.673 1.140 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898483175 584139122 /nfs/dbraw/zinc/13/91/22/584139122.db2.gz INUXFRMIYKZWEU-OUAUKWLOSA-N 1 2 228.311 1.193 20 0 BDADLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898483175 584139123 /nfs/dbraw/zinc/13/91/23/584139123.db2.gz INUXFRMIYKZWEU-OUAUKWLOSA-N 1 2 228.311 1.193 20 0 BDADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1CCCC1 ZINC000898483634 584139397 /nfs/dbraw/zinc/13/93/97/584139397.db2.gz MPNHRCKFPHKIPK-GFCCVEGCSA-N 1 2 242.338 1.727 20 0 BDADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1CCCC1 ZINC000898483634 584139398 /nfs/dbraw/zinc/13/93/98/584139398.db2.gz MPNHRCKFPHKIPK-GFCCVEGCSA-N 1 2 242.338 1.727 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494063 584140339 /nfs/dbraw/zinc/14/03/39/584140339.db2.gz DWOTULMQKNRZIZ-RYUDHWBXSA-N 1 2 244.354 1.829 20 0 BDADLO CC(C)[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494063 584140340 /nfs/dbraw/zinc/14/03/40/584140340.db2.gz DWOTULMQKNRZIZ-RYUDHWBXSA-N 1 2 244.354 1.829 20 0 BDADLO Cn1c[nH+]c(CNC(=O)NC2(C)CC=CC2)c1 ZINC000898616437 584145037 /nfs/dbraw/zinc/14/50/37/584145037.db2.gz RVCPSNXAFLSIBT-UHFFFAOYSA-N 1 2 234.303 1.328 20 0 BDADLO CC(C)N(C(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000898628712 584147321 /nfs/dbraw/zinc/14/73/21/584147321.db2.gz VJLPYFOQSPRTEE-UHFFFAOYSA-N 1 2 236.319 1.503 20 0 BDADLO CC(C)C1(NC(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898618662 584147641 /nfs/dbraw/zinc/14/76/41/584147641.db2.gz ALZKRFGXQIBUCE-UHFFFAOYSA-N 1 2 236.319 1.408 20 0 BDADLO C[C@H]1C[C@H](C)N1C(=O)NCc1cn(C)c[nH+]1 ZINC000898622228 584147706 /nfs/dbraw/zinc/14/77/06/584147706.db2.gz RTKVESLZMRPOEH-IUCAKERBSA-N 1 2 222.292 1.112 20 0 BDADLO CCC1(C)CN(C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000898622912 584147921 /nfs/dbraw/zinc/14/79/21/584147921.db2.gz XGHBPPHZJVAORF-UHFFFAOYSA-N 1 2 236.319 1.362 20 0 BDADLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)[C@H](C)O1 ZINC000898810021 584159982 /nfs/dbraw/zinc/15/99/82/584159982.db2.gz HALSNTGJUMSRDQ-VPOLOUISSA-N 1 2 249.314 1.258 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898809974 584160349 /nfs/dbraw/zinc/16/03/49/584160349.db2.gz GERGHSNGLDPDIE-WTPMCQDGSA-N 1 2 245.326 1.736 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000898881375 584164707 /nfs/dbraw/zinc/16/47/07/584164707.db2.gz DIMCTVYJRCWGET-ZYHUDNBSSA-N 1 2 248.330 1.906 20 0 BDADLO C[C@@H]1CC=CC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000898881375 584164709 /nfs/dbraw/zinc/16/47/09/584164709.db2.gz DIMCTVYJRCWGET-ZYHUDNBSSA-N 1 2 248.330 1.906 20 0 BDADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1=CCCCC1 ZINC000898895592 584165192 /nfs/dbraw/zinc/16/51/92/584165192.db2.gz QJDXWVNOFKSMEC-LLVKDONJSA-N 1 2 249.314 1.070 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898893563 584165209 /nfs/dbraw/zinc/16/52/09/584165209.db2.gz MKRLGLKFWQPYOY-ZJUUUORDSA-N 1 2 221.304 1.390 20 0 BDADLO COCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901886 584165327 /nfs/dbraw/zinc/16/53/27/584165327.db2.gz OQUJMLOHBLCCJK-UHFFFAOYSA-N 1 2 239.319 1.161 20 0 BDADLO CC(C)(CNC(=O)C1(C)CC1)n1cc[nH+]c1 ZINC000898904568 584165566 /nfs/dbraw/zinc/16/55/66/584165566.db2.gz HQIGPYDGPIPUMR-UHFFFAOYSA-N 1 2 221.304 1.535 20 0 BDADLO Cn1c[nH+]cc1CCS(=O)(=O)C1CCCC1 ZINC000899465548 584217513 /nfs/dbraw/zinc/21/75/13/584217513.db2.gz AIVHDIFVYHBDDI-UHFFFAOYSA-N 1 2 242.344 1.320 20 0 BDADLO C[Si](C)(C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000899743697 584236909 /nfs/dbraw/zinc/23/69/09/584236909.db2.gz KDPRZQJSUHTJNF-UHFFFAOYSA-N 1 2 249.394 1.861 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899809683 584238541 /nfs/dbraw/zinc/23/85/41/584238541.db2.gz BZKVGHXCRWTZMG-RKDXNWHRSA-N 1 2 225.267 1.331 20 0 BDADLO CN(CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899809683 584238542 /nfs/dbraw/zinc/23/85/42/584238542.db2.gz BZKVGHXCRWTZMG-RKDXNWHRSA-N 1 2 225.267 1.331 20 0 BDADLO C[C@@H](C1CC1)N(C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900174938 584285143 /nfs/dbraw/zinc/28/51/43/584285143.db2.gz WOVHBQMKLXLKLM-VIFPVBQESA-N 1 2 233.315 1.742 20 0 BDADLO Cc1occc1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900345540 584296189 /nfs/dbraw/zinc/29/61/89/584296189.db2.gz VPUYFPZIJWRZNG-UHFFFAOYSA-N 1 2 233.271 1.512 20 0 BDADLO CCCN(C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900426894 584307994 /nfs/dbraw/zinc/30/79/94/584307994.db2.gz OBABFRFAKVECMX-ZRDIBKRKSA-N 1 2 240.347 1.133 20 0 BDADLO CC1(C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900553572 584322458 /nfs/dbraw/zinc/32/24/58/584322458.db2.gz FZKIDOGTGOBKQD-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO CC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900537380 584323361 /nfs/dbraw/zinc/32/33/61/584323361.db2.gz FWGOARUAPWVWIP-JTQLQIEISA-N 1 2 207.277 1.353 20 0 BDADLO O=C(CCF)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900540485 584324024 /nfs/dbraw/zinc/32/40/24/584324024.db2.gz JYVJXSQGGQYKAV-VIFPVBQESA-N 1 2 225.267 1.475 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900625500 584333098 /nfs/dbraw/zinc/33/30/98/584333098.db2.gz ACYLNWOGOSQRLK-MGCOHNPYSA-N 1 2 221.304 1.647 20 0 BDADLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900625500 584333099 /nfs/dbraw/zinc/33/30/99/584333099.db2.gz ACYLNWOGOSQRLK-MGCOHNPYSA-N 1 2 221.304 1.647 20 0 BDADLO Cc1cccn2cc(CNC(=O)CCF)[nH+]c12 ZINC000900629349 584333551 /nfs/dbraw/zinc/33/35/51/584333551.db2.gz KEDVSLZMRFXDBN-UHFFFAOYSA-N 1 2 235.262 1.619 20 0 BDADLO Cc1cc(C)c(CC(=O)NCc2[nH]cc[nH+]2)s1 ZINC000900667052 584337362 /nfs/dbraw/zinc/33/73/62/584337362.db2.gz YKUSGGQUTQPNPF-UHFFFAOYSA-N 1 2 249.339 1.947 20 0 BDADLO CCC(C)(CC)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900699561 584342827 /nfs/dbraw/zinc/34/28/27/584342827.db2.gz YUYZKFGJZKEXBH-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CCC(C)(CC)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900699561 584342829 /nfs/dbraw/zinc/34/28/29/584342829.db2.gz YUYZKFGJZKEXBH-UHFFFAOYSA-N 1 2 209.293 1.647 20 0 BDADLO CSC[C@H](C)NC(=O)CNc1cccc[nH+]1 ZINC000900762683 584346490 /nfs/dbraw/zinc/34/64/90/584346490.db2.gz DJURFYBSJGUMHV-VIFPVBQESA-N 1 2 239.344 1.361 20 0 BDADLO CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC000900773647 584349158 /nfs/dbraw/zinc/34/91/58/584349158.db2.gz NHXXKVSTUGHTBI-UHFFFAOYSA-N 1 2 207.277 1.353 20 0 BDADLO C[C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900798021 584353256 /nfs/dbraw/zinc/35/32/56/584353256.db2.gz YNFPWYVKZAXARF-IUCAKERBSA-N 1 2 207.277 1.209 20 0 BDADLO CC(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900851463 584357450 /nfs/dbraw/zinc/35/74/50/584357450.db2.gz CGLBUCWVBJFENV-UHFFFAOYSA-N 1 2 235.331 1.847 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900865831 584362505 /nfs/dbraw/zinc/36/25/05/584362505.db2.gz XZSISPILNOPDJW-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO CC[C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900865831 584362508 /nfs/dbraw/zinc/36/25/08/584362508.db2.gz XZSISPILNOPDJW-UWVGGRQHSA-N 1 2 223.320 1.893 20 0 BDADLO C[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1C ZINC000900896798 584362545 /nfs/dbraw/zinc/36/25/45/584362545.db2.gz XPUOTCRMSZAQQL-PHIMTYICSA-N 1 2 233.315 1.608 20 0 BDADLO CC/C(C)=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996319 584375081 /nfs/dbraw/zinc/37/50/81/584375081.db2.gz BCEWFJXGXFAFFV-SOFGYWHQSA-N 1 2 221.304 1.999 20 0 BDADLO CCC(C)=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000900996319 584375082 /nfs/dbraw/zinc/37/50/82/584375082.db2.gz BCEWFJXGXFAFFV-SOFGYWHQSA-N 1 2 221.304 1.999 20 0 BDADLO C[C@H]1CCN(C(=O)CCF)C[C@H]1n1cc[nH+]c1 ZINC000901040424 584376733 /nfs/dbraw/zinc/37/67/33/584376733.db2.gz JZQRUEXBQJEKFX-WDEREUQCSA-N 1 2 239.294 1.652 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)N[C@@H](C)CC(C)=O ZINC000901171315 584395186 /nfs/dbraw/zinc/39/51/86/584395186.db2.gz JQOBDDHQHCRWJE-VIFPVBQESA-N 1 2 249.314 1.529 20 0 BDADLO O=C(CNc1cccc[nH+]1)NN1CCCCC1 ZINC000901224509 584411665 /nfs/dbraw/zinc/41/16/65/584411665.db2.gz PZJRBVDKUGIDER-UHFFFAOYSA-N 1 2 234.303 1.011 20 0 BDADLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901275147 584412737 /nfs/dbraw/zinc/41/27/37/584412737.db2.gz FDQXGSFJGMPAQB-VHSXEESVSA-N 1 2 221.304 1.457 20 0 BDADLO CC(C)c1c[nH]c(C=C2SC(=N)NC2=O)[nH+]1 ZINC000901538346 584460467 /nfs/dbraw/zinc/46/04/67/584460467.db2.gz DCCAFCOBLAIBEY-XVNBXDOJSA-N 1 2 236.300 1.672 20 0 BDADLO CC[C@@H]([NH2+]CCc1cccnc1C)C(=O)OC ZINC000901702187 584483270 /nfs/dbraw/zinc/48/32/70/584483270.db2.gz QVKXGZJJJUQSPH-GFCCVEGCSA-N 1 2 236.315 1.474 20 0 BDADLO CCCOC(=O)N1CC[NH+](CCOCC)CC1 ZINC000858969161 588987552 /nfs/dbraw/zinc/98/75/52/588987552.db2.gz IOACHHNJGSHRHT-UHFFFAOYSA-N 1 2 244.335 1.187 20 0 BDADLO Cc1nnc(CCSCCn2cc[nH+]c2)o1 ZINC000901891950 584501754 /nfs/dbraw/zinc/50/17/54/584501754.db2.gz LRXZRXXWHPZYOY-UHFFFAOYSA-N 1 2 238.316 1.550 20 0 BDADLO CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+](C)C1CC1)C2=O ZINC000902048399 584516701 /nfs/dbraw/zinc/51/67/01/584516701.db2.gz DTLYLEJGFCGTMR-GXFFZTMASA-N 1 2 236.315 1.069 20 0 BDADLO CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+](C)C1CC1)C2=O ZINC000902048399 584516702 /nfs/dbraw/zinc/51/67/02/584516702.db2.gz DTLYLEJGFCGTMR-GXFFZTMASA-N 1 2 236.315 1.069 20 0 BDADLO CCn1cnc(C[NH2+]Cc2cccnc2OC)c1 ZINC000902056089 584518176 /nfs/dbraw/zinc/51/81/76/584518176.db2.gz ATUNRLJFPUZEFA-UHFFFAOYSA-N 1 2 246.314 1.596 20 0 BDADLO Cc1[nH]c(CNc2nc3ncccn3n2)[nH+]c1C ZINC000902076313 584520187 /nfs/dbraw/zinc/52/01/87/584520187.db2.gz IFGXHWRLEAZSJA-UHFFFAOYSA-N 1 2 243.274 1.076 20 0 BDADLO CCn1cnc(CNc2cccc[nH+]2)c1 ZINC000902078813 584520591 /nfs/dbraw/zinc/52/05/91/584520591.db2.gz GODDXTINNAFNSW-UHFFFAOYSA-N 1 2 202.261 1.910 20 0 BDADLO C[C@H]1c2ccccc2C[N@H+]1CN1CCOC1=O ZINC000902170639 584534176 /nfs/dbraw/zinc/53/41/76/584534176.db2.gz JHDQKZQHMILNAS-JTQLQIEISA-N 1 2 232.283 1.973 20 0 BDADLO C[C@H]1c2ccccc2C[N@@H+]1CN1CCOC1=O ZINC000902170639 584534178 /nfs/dbraw/zinc/53/41/78/584534178.db2.gz JHDQKZQHMILNAS-JTQLQIEISA-N 1 2 232.283 1.973 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cccn(C)c1=O ZINC000902207995 584538562 /nfs/dbraw/zinc/53/85/62/584538562.db2.gz DHQPLJYZSCRUPG-UHFFFAOYSA-N 1 2 246.314 1.775 20 0 BDADLO CC(C)n1cc[nH+]c1CNc1cnc(CO)cn1 ZINC000902217509 584539747 /nfs/dbraw/zinc/53/97/47/584539747.db2.gz TVJBPWNDQBOMCQ-UHFFFAOYSA-N 1 2 247.302 1.358 20 0 BDADLO NC(=[NH+]OCCOC1CC1)c1cccc(F)c1 ZINC000902234462 584542544 /nfs/dbraw/zinc/54/25/44/584542544.db2.gz GMFHIZFRGQQYKR-UHFFFAOYSA-N 1 2 238.262 1.851 20 0 BDADLO C[N@@H+](CC1=CCSC1)CN1CCOC1=O ZINC000902318617 584551577 /nfs/dbraw/zinc/55/15/77/584551577.db2.gz QDBVWPHBFMGILD-UHFFFAOYSA-N 1 2 228.317 1.001 20 0 BDADLO C[N@H+](CC1=CCSC1)CN1CCOC1=O ZINC000902318617 584551578 /nfs/dbraw/zinc/55/15/78/584551578.db2.gz QDBVWPHBFMGILD-UHFFFAOYSA-N 1 2 228.317 1.001 20 0 BDADLO CN(C)c1ccc(COc2cnn(C)c2)c[nH+]1 ZINC000902304195 584554559 /nfs/dbraw/zinc/55/45/59/584554559.db2.gz IWHCTIORTJHHBU-UHFFFAOYSA-N 1 2 232.287 1.460 20 0 BDADLO O=C1OCCN1CCSCCn1cc[nH+]c1 ZINC000902470015 584616808 /nfs/dbraw/zinc/61/68/08/584616808.db2.gz FECJTPXXFYQYOK-UHFFFAOYSA-N 1 2 241.316 1.069 20 0 BDADLO CCn1cnc(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000902489516 584627527 /nfs/dbraw/zinc/62/75/27/584627527.db2.gz QRYYZZVZGOZAEJ-LBPRGKRZSA-N 1 2 249.314 1.709 20 0 BDADLO CCn1c[nH+]c(CNc2cn(C)nc2OC)c1 ZINC000902523803 584632104 /nfs/dbraw/zinc/63/21/04/584632104.db2.gz MQUIVDUCFHFWBD-UHFFFAOYSA-N 1 2 235.291 1.257 20 0 BDADLO CCO[C@H]1CC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000902528045 584633048 /nfs/dbraw/zinc/63/30/48/584633048.db2.gz OUOYJMIPCZFOQH-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO CCO[C@H]1CC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000902528045 584633050 /nfs/dbraw/zinc/63/30/50/584633050.db2.gz OUOYJMIPCZFOQH-JTQLQIEISA-N 1 2 243.738 1.913 20 0 BDADLO O=C(OCCF)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000859100439 589001810 /nfs/dbraw/zinc/00/18/10/589001810.db2.gz DTQCZEAGRPOGBN-MRVPVSSYSA-N 1 2 227.239 1.653 20 0 BDADLO CCC1(CC)CN(C[N@@H+]2CC[C@H]2CO)C(=O)O1 ZINC000902632217 584647215 /nfs/dbraw/zinc/64/72/15/584647215.db2.gz MIFVMDFAVFTIES-JTQLQIEISA-N 1 2 242.319 1.022 20 0 BDADLO CCC1(CC)CN(C[N@H+]2CC[C@H]2CO)C(=O)O1 ZINC000902632217 584647217 /nfs/dbraw/zinc/64/72/17/584647217.db2.gz MIFVMDFAVFTIES-JTQLQIEISA-N 1 2 242.319 1.022 20 0 BDADLO COC/C(C)=C/CO[NH+]=C(N)[C@H](C)OC ZINC000902717483 584658047 /nfs/dbraw/zinc/65/80/47/584658047.db2.gz PUYWABRATOFVOI-QRJSTWQJSA-N 1 2 216.281 1.112 20 0 BDADLO COCCOc1ccc2c(c1)[nH+]cn2C ZINC000902780014 584669708 /nfs/dbraw/zinc/66/97/08/584669708.db2.gz NQYJPTWVCAAOCA-UHFFFAOYSA-N 1 2 206.245 1.599 20 0 BDADLO CCN(C)C(=O)COc1ccc2c(c1)[nH+]cn2C ZINC000902780999 584670382 /nfs/dbraw/zinc/67/03/82/584670382.db2.gz BHKNXJNYBZADCQ-UHFFFAOYSA-N 1 2 247.298 1.430 20 0 BDADLO Cc1nonc1COc1ccc2c(c1)[nH+]cn2C ZINC000902781222 584670417 /nfs/dbraw/zinc/67/04/17/584670417.db2.gz KHCCRDIURMXPMU-UHFFFAOYSA-N 1 2 244.254 1.844 20 0 BDADLO Cc1cc(C[NH2+][C@H](C)c2cn(C)nn2)c(C)o1 ZINC000902869002 584683755 /nfs/dbraw/zinc/68/37/55/584683755.db2.gz RUXSEZLWMOLXFH-SECBINFHSA-N 1 2 234.303 1.876 20 0 BDADLO O=[S@@](CC[N@H+]1CCC[C@@H](F)C1)C(F)(F)F ZINC000902991069 584709150 /nfs/dbraw/zinc/70/91/50/584709150.db2.gz KBJCLFKUTDFOKS-MLXNANBUSA-N 1 2 247.257 1.689 20 0 BDADLO O=[S@@](CC[N@@H+]1CCC[C@@H](F)C1)C(F)(F)F ZINC000902991069 584709151 /nfs/dbraw/zinc/70/91/51/584709151.db2.gz KBJCLFKUTDFOKS-MLXNANBUSA-N 1 2 247.257 1.689 20 0 BDADLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)on1 ZINC000902993072 584710914 /nfs/dbraw/zinc/71/09/14/584710914.db2.gz QKCQNTARTXCBKW-QMMMGPOBSA-N 1 2 214.240 1.617 20 0 BDADLO COc1cc(C[N@H+]2CCC[C@H](F)C2)on1 ZINC000902993072 584710915 /nfs/dbraw/zinc/71/09/15/584710915.db2.gz QKCQNTARTXCBKW-QMMMGPOBSA-N 1 2 214.240 1.617 20 0 BDADLO CN(C(=O)C[N@@H+]1CCC[C@H](F)C1)C1CC1 ZINC000902996963 584714280 /nfs/dbraw/zinc/71/42/80/584714280.db2.gz YJOUKTYIMZWYFG-VIFPVBQESA-N 1 2 214.284 1.041 20 0 BDADLO CN(C(=O)C[N@H+]1CCC[C@H](F)C1)C1CC1 ZINC000902996963 584714282 /nfs/dbraw/zinc/71/42/82/584714282.db2.gz YJOUKTYIMZWYFG-VIFPVBQESA-N 1 2 214.284 1.041 20 0 BDADLO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903000363 584715674 /nfs/dbraw/zinc/71/56/74/584715674.db2.gz FPUJEZBFKYCOSC-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903000363 584715675 /nfs/dbraw/zinc/71/56/75/584715675.db2.gz FPUJEZBFKYCOSC-VHSXEESVSA-N 1 2 216.300 1.335 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 ZINC000903002036 584716074 /nfs/dbraw/zinc/71/60/74/584716074.db2.gz UOUIJEACDNZGKF-WDEREUQCSA-N 1 2 230.327 1.677 20 0 BDADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 ZINC000903002036 584716076 /nfs/dbraw/zinc/71/60/76/584716076.db2.gz UOUIJEACDNZGKF-WDEREUQCSA-N 1 2 230.327 1.677 20 0 BDADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1cn(C)nn1 ZINC000903077584 584724657 /nfs/dbraw/zinc/72/46/57/584724657.db2.gz LWWWZNRCZYGUFC-QMMMGPOBSA-N 1 2 235.266 1.200 20 0 BDADLO Cc1nnc2n1CC[N@@H+](Cc1ccnc(F)c1)C2 ZINC000859127239 589006443 /nfs/dbraw/zinc/00/64/43/589006443.db2.gz PWTHODHBLHYCNR-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO Cc1nnc2n1CC[N@H+](Cc1ccnc(F)c1)C2 ZINC000859127239 589006445 /nfs/dbraw/zinc/00/64/45/589006445.db2.gz PWTHODHBLHYCNR-UHFFFAOYSA-N 1 2 247.277 1.136 20 0 BDADLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ncco1 ZINC000903296083 584743256 /nfs/dbraw/zinc/74/32/56/584743256.db2.gz BJCQKHHLSNXKLQ-OPRDCNLKSA-N 1 2 226.276 1.129 20 0 BDADLO Cc1ccc(CCN2CC=CC[NH2+]2)cc1 ZINC000903488484 584780693 /nfs/dbraw/zinc/78/06/93/584780693.db2.gz GDGDENLGMAEYGR-UHFFFAOYSA-N 1 2 202.301 1.914 20 0 BDADLO C1=CCN(C[C@H]2CC3(CCC3)CO2)[NH2+]C1 ZINC000903490799 584780739 /nfs/dbraw/zinc/78/07/39/584780739.db2.gz INBAQJTWXOPARH-LLVKDONJSA-N 1 2 208.305 1.322 20 0 BDADLO Cc1cc(C)c(C(=O)Oc2cnn(C)c2)c(C)[nH+]1 ZINC000904021873 584836790 /nfs/dbraw/zinc/83/67/90/584836790.db2.gz DYCLBHKWVYBTQQ-UHFFFAOYSA-N 1 2 245.282 1.960 20 0 BDADLO CSCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257449 584859475 /nfs/dbraw/zinc/85/94/75/584859475.db2.gz XYPHOXGFZOOJON-UHFFFAOYSA-N 1 2 236.300 1.885 20 0 BDADLO O=C(N[C@@H]1CCn2cc[nH+]c21)OCCF ZINC000859173517 589013962 /nfs/dbraw/zinc/01/39/62/589013962.db2.gz UYHHADNDUXDBRS-SSDOTTSWSA-N 1 2 213.212 1.024 20 0 BDADLO CC(C)OC1CN(C(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000828216274 584902133 /nfs/dbraw/zinc/90/21/33/584902133.db2.gz OQGTXERCFNGCDL-PLNGDYQASA-N 1 2 249.314 1.069 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)c1cccc(F)n1 ZINC000757921871 584903906 /nfs/dbraw/zinc/90/39/06/584903906.db2.gz VNSGSYUMSTUWKT-UHFFFAOYSA-N 1 2 206.224 1.580 20 0 BDADLO C(c1nnc2n1CCCC2)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761086100 584909285 /nfs/dbraw/zinc/90/92/85/584909285.db2.gz CBEFUHIIEJKIQJ-VHSXEESVSA-N 1 2 218.304 1.209 20 0 BDADLO C(c1nnc2n1CCCC2)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761086100 584909286 /nfs/dbraw/zinc/90/92/86/584909286.db2.gz CBEFUHIIEJKIQJ-VHSXEESVSA-N 1 2 218.304 1.209 20 0 BDADLO O=C(N1CC(Oc2cc[nH+]cc2)C1)C(F)(F)F ZINC000730832957 584917608 /nfs/dbraw/zinc/91/76/08/584917608.db2.gz VRUQRESTZRELKT-UHFFFAOYSA-N 1 2 246.188 1.234 20 0 BDADLO Cc1ccoc1C(=O)OCCn1cc[nH+]c1 ZINC000763110884 584920021 /nfs/dbraw/zinc/92/00/21/584920021.db2.gz ABZGLSSIWBUITD-UHFFFAOYSA-N 1 2 220.228 1.642 20 0 BDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc[nH]c1=S ZINC000731863634 584929830 /nfs/dbraw/zinc/92/98/30/584929830.db2.gz ZPGYNJTXCYDJPQ-UHFFFAOYSA-N 1 2 248.311 1.066 20 0 BDADLO Cc1[nH]c(C(=O)NC[C@@H](O)c2ccccc2)c[nH+]1 ZINC000731866795 584930667 /nfs/dbraw/zinc/93/06/67/584930667.db2.gz YZAFAJOQFCLHDB-GFCCVEGCSA-N 1 2 245.282 1.182 20 0 BDADLO CCc1nc(N[C@@H]2CCOC[C@@H]2C)cc[nH+]1 ZINC000884486754 584954064 /nfs/dbraw/zinc/95/40/64/584954064.db2.gz DZZNWDSNKQOWJP-VHSXEESVSA-N 1 2 221.304 1.876 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCCNC(=O)C2)o1 ZINC000769115822 584956916 /nfs/dbraw/zinc/95/69/16/584956916.db2.gz PYCKHOJLSOEWAZ-CMPLNLGQSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCCNC(=O)C2)o1 ZINC000769115822 584956917 /nfs/dbraw/zinc/95/69/17/584956917.db2.gz PYCKHOJLSOEWAZ-CMPLNLGQSA-N 1 2 248.326 1.725 20 0 BDADLO C[C@H]1C[N@H+](Cc2cnn[nH]2)Cc2ccccc21 ZINC000734538649 584963858 /nfs/dbraw/zinc/96/38/58/584963858.db2.gz OYBCVTYBUJYYHJ-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1C[N@@H+](Cc2cnn[nH]2)Cc2ccccc21 ZINC000734538649 584963859 /nfs/dbraw/zinc/96/38/59/584963859.db2.gz OYBCVTYBUJYYHJ-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1C[N@H+](Cc2c[nH]nn2)Cc2ccccc21 ZINC000734538649 584963860 /nfs/dbraw/zinc/96/38/60/584963860.db2.gz OYBCVTYBUJYYHJ-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1C[N@@H+](Cc2c[nH]nn2)Cc2ccccc21 ZINC000734538649 584963861 /nfs/dbraw/zinc/96/38/61/584963861.db2.gz OYBCVTYBUJYYHJ-JTQLQIEISA-N 1 2 228.299 1.924 20 0 BDADLO C[C@H]1CCCC[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890105086 585023476 /nfs/dbraw/zinc/02/34/76/585023476.db2.gz WNAZYFZAWHCMBS-CMPLNLGQSA-N 1 2 235.331 1.863 20 0 BDADLO CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107653 585023680 /nfs/dbraw/zinc/02/36/80/585023680.db2.gz OREZFPHQXHISAG-DGCLKSJQSA-N 1 2 235.331 1.719 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890110105 585023860 /nfs/dbraw/zinc/02/38/60/585023860.db2.gz WWCNPKLAPZZEQD-ZJUUUORDSA-N 1 2 221.304 1.473 20 0 BDADLO CC(C)[N@H+](Cc1ccc(F)nc1)C1COC1 ZINC000824471376 585028842 /nfs/dbraw/zinc/02/88/42/585028842.db2.gz AADFDVKSBDWRQO-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO CC(C)[N@@H+](Cc1ccc(F)nc1)C1COC1 ZINC000824471376 585028843 /nfs/dbraw/zinc/02/88/43/585028843.db2.gz AADFDVKSBDWRQO-UHFFFAOYSA-N 1 2 224.279 1.830 20 0 BDADLO C/C=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000737556072 585036058 /nfs/dbraw/zinc/03/60/58/585036058.db2.gz ZCTRLPBANLBNGH-IHWYPQMZSA-N 1 2 201.229 1.849 20 0 BDADLO C/C=C/C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000737832311 585038732 /nfs/dbraw/zinc/03/87/32/585038732.db2.gz LWNZWMYDOURXBM-NSCUHMNNSA-N 1 2 218.256 1.247 20 0 BDADLO Cc1occc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788086305 585039487 /nfs/dbraw/zinc/03/94/87/585039487.db2.gz ZLSRFKBSOJLZDG-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO Cc1occc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788086305 585039488 /nfs/dbraw/zinc/03/94/88/585039488.db2.gz ZLSRFKBSOJLZDG-SNVBAGLBSA-N 1 2 241.262 1.789 20 0 BDADLO C[C@H](C(=O)OCCn1cc[nH+]c1)C1CCC1 ZINC000838386053 585055577 /nfs/dbraw/zinc/05/55/77/585055577.db2.gz CZKZVWBTJVZWQX-JTQLQIEISA-N 1 2 222.288 1.863 20 0 BDADLO C[C@H](C(=O)OCC[NH+]1CCOCC1)C1CCC1 ZINC000838388883 585055707 /nfs/dbraw/zinc/05/57/07/585055707.db2.gz KLESKNXVJJYGFD-NSHDSACASA-N 1 2 241.331 1.298 20 0 BDADLO CCC(C)(C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000838636764 585064101 /nfs/dbraw/zinc/06/41/01/585064101.db2.gz DWKUPYRFFRFKSR-VIFPVBQESA-N 1 2 236.319 1.816 20 0 BDADLO CCn1ncc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000838781326 585069684 /nfs/dbraw/zinc/06/96/84/585069684.db2.gz RBIRJCWARGFLOO-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO CCn1ncc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000838781326 585069685 /nfs/dbraw/zinc/06/96/85/585069685.db2.gz RBIRJCWARGFLOO-UHFFFAOYSA-N 1 2 242.326 1.856 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@]1(C)CCCCO1 ZINC000838808637 585070702 /nfs/dbraw/zinc/07/07/02/585070702.db2.gz DZIXYMBRGRJTMI-GFCCVEGCSA-N 1 2 238.287 1.423 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)C1CC1)C(C)(C)C ZINC000838897676 585079284 /nfs/dbraw/zinc/07/92/84/585079284.db2.gz QXNCKDLVTZRRQM-GHMZBOCLSA-N 1 2 243.347 1.325 20 0 BDADLO CCn1ncc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000838896063 585079380 /nfs/dbraw/zinc/07/93/80/585079380.db2.gz XCCOBRGPWYRRRP-UHFFFAOYSA-N 1 2 234.278 1.727 20 0 BDADLO COC[C@@H]1CC[N@H+](Cn2ncsc2=S)C1 ZINC000739868880 585082756 /nfs/dbraw/zinc/08/27/56/585082756.db2.gz GPDRXKDFDSLJSI-MRVPVSSYSA-N 1 2 245.373 1.600 20 0 BDADLO COC[C@@H]1CC[N@@H+](Cn2ncsc2=S)C1 ZINC000739868880 585082757 /nfs/dbraw/zinc/08/27/57/585082757.db2.gz GPDRXKDFDSLJSI-MRVPVSSYSA-N 1 2 245.373 1.600 20 0 BDADLO COC[C@H]1CC[N@H+](Cn2ncsc2=S)C1 ZINC000739868897 585083013 /nfs/dbraw/zinc/08/30/13/585083013.db2.gz GPDRXKDFDSLJSI-QMMMGPOBSA-N 1 2 245.373 1.600 20 0 BDADLO COC[C@H]1CC[N@@H+](Cn2ncsc2=S)C1 ZINC000739868897 585083014 /nfs/dbraw/zinc/08/30/14/585083014.db2.gz GPDRXKDFDSLJSI-QMMMGPOBSA-N 1 2 245.373 1.600 20 0 BDADLO CCn1ncc(CNc2ccc(N(C)C)c[nH+]2)n1 ZINC000838978620 585084033 /nfs/dbraw/zinc/08/40/33/585084033.db2.gz AHSBIXBSBRXGDA-UHFFFAOYSA-N 1 2 246.318 1.371 20 0 BDADLO CCn1ncc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)n1 ZINC000839032110 585088571 /nfs/dbraw/zinc/08/85/71/585088571.db2.gz YSLGCFTZHABBLG-ZYHUDNBSSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)n1 ZINC000839032110 585088572 /nfs/dbraw/zinc/08/85/72/585088572.db2.gz YSLGCFTZHABBLG-ZYHUDNBSSA-N 1 2 238.335 1.155 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC(C)=C(C)C2)n1 ZINC000839071574 585089496 /nfs/dbraw/zinc/08/94/96/585089496.db2.gz MQDJUFIYLLSEBM-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCn1ncc(C[N@H+]2CCC(C)=C(C)C2)n1 ZINC000839071574 585089497 /nfs/dbraw/zinc/08/94/97/585089497.db2.gz MQDJUFIYLLSEBM-UHFFFAOYSA-N 1 2 220.320 1.840 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC[C@](C)(OC)C2)n1 ZINC000839066741 585089673 /nfs/dbraw/zinc/08/96/73/585089673.db2.gz MABJJWTVLZUARC-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@H+]2CCC[C@](C)(OC)C2)n1 ZINC000839066741 585089674 /nfs/dbraw/zinc/08/96/74/585089674.db2.gz MABJJWTVLZUARC-LBPRGKRZSA-N 1 2 238.335 1.299 20 0 BDADLO CCn1ncc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)n1 ZINC000839107950 585091348 /nfs/dbraw/zinc/09/13/48/585091348.db2.gz QBXJJHRIXRSMLF-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO CCn1ncc(C[N@H+]2CCC(F)(F)[C@H](C)C2)n1 ZINC000839107950 585091349 /nfs/dbraw/zinc/09/13/49/585091349.db2.gz QBXJJHRIXRSMLF-SECBINFHSA-N 1 2 244.289 1.775 20 0 BDADLO Cc1nc(F)ccc1C[NH+]1CC(C)(CO)C1 ZINC000839145683 585092299 /nfs/dbraw/zinc/09/22/99/585092299.db2.gz QGOZDFDLTLXKOG-UHFFFAOYSA-N 1 2 224.279 1.343 20 0 BDADLO CC(C)n1cc(C[NH+]2CC(O)(C(C)C)C2)cn1 ZINC000839132195 585093896 /nfs/dbraw/zinc/09/38/96/585093896.db2.gz CQOSHBFZJWJYSV-UHFFFAOYSA-N 1 2 237.347 1.667 20 0 BDADLO CC(C)(O)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000839140615 585094258 /nfs/dbraw/zinc/09/42/58/585094258.db2.gz RTQCWROSFBXJII-UHFFFAOYSA-N 1 2 240.734 1.938 20 0 BDADLO FC(F)OC1C[NH+](C[C@H]2CCC=CO2)C1 ZINC000839142656 585094948 /nfs/dbraw/zinc/09/49/48/585094948.db2.gz CRAJAPZIHAFLBT-MRVPVSSYSA-N 1 2 219.231 1.603 20 0 BDADLO Cc1ccnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000839191580 585097499 /nfs/dbraw/zinc/09/74/99/585097499.db2.gz AUNDIGSPMRJLRN-NEPJUHHUSA-N 1 2 233.315 1.396 20 0 BDADLO Cc1ccnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1 ZINC000839191580 585097500 /nfs/dbraw/zinc/09/75/00/585097500.db2.gz AUNDIGSPMRJLRN-NEPJUHHUSA-N 1 2 233.315 1.396 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194213 585097888 /nfs/dbraw/zinc/09/78/88/585097888.db2.gz HEAPPBOBDYLXKJ-TUAOUCFPSA-N 1 2 241.331 1.439 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194213 585097889 /nfs/dbraw/zinc/09/78/89/585097889.db2.gz HEAPPBOBDYLXKJ-TUAOUCFPSA-N 1 2 241.331 1.439 20 0 BDADLO Clc1cnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cn1 ZINC000839201066 585099636 /nfs/dbraw/zinc/09/96/36/585099636.db2.gz DSEKHAZVKBAEOA-IUCAKERBSA-N 1 2 241.747 1.820 20 0 BDADLO Clc1cnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cn1 ZINC000839201066 585099637 /nfs/dbraw/zinc/09/96/37/585099637.db2.gz DSEKHAZVKBAEOA-IUCAKERBSA-N 1 2 241.747 1.820 20 0 BDADLO CCC(=O)COC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000741031504 585109454 /nfs/dbraw/zinc/10/94/54/585109454.db2.gz RRFCXFYYBDMRJO-NSHDSACASA-N 1 2 241.331 1.773 20 0 BDADLO O=C(Nc1cccc2[nH+]ccn21)c1cocn1 ZINC000741969369 585121312 /nfs/dbraw/zinc/12/13/12/585121312.db2.gz AKAWVBZANJKMPN-UHFFFAOYSA-N 1 2 228.211 1.575 20 0 BDADLO C[N@H+](CN1c2ccccc2C(=O)C1=O)C1CCC1 ZINC000742173752 585122529 /nfs/dbraw/zinc/12/25/29/585122529.db2.gz WOKOMUNJRRCAFG-UHFFFAOYSA-N 1 2 244.294 1.658 20 0 BDADLO C[N@@H+](CN1c2ccccc2C(=O)C1=O)C1CCC1 ZINC000742173752 585122530 /nfs/dbraw/zinc/12/25/30/585122530.db2.gz WOKOMUNJRRCAFG-UHFFFAOYSA-N 1 2 244.294 1.658 20 0 BDADLO O=C(C=Cc1ccsc1)NCc1c[nH+]c[nH]1 ZINC000742179064 585122605 /nfs/dbraw/zinc/12/26/05/585122605.db2.gz RULCJIJVNCDGFB-OWOJBTEDSA-N 1 2 233.296 1.801 20 0 BDADLO O=C(C=Cc1ccsc1)NCc1c[nH]c[nH+]1 ZINC000742179064 585122606 /nfs/dbraw/zinc/12/26/06/585122606.db2.gz RULCJIJVNCDGFB-OWOJBTEDSA-N 1 2 233.296 1.801 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000742662034 585129555 /nfs/dbraw/zinc/12/95/55/585129555.db2.gz GDJCEVADPCTJEN-SECBINFHSA-N 1 2 233.271 1.731 20 0 BDADLO O=C1CC2(CCC2)N1C[NH+]1CCSCC1 ZINC000743353416 585135537 /nfs/dbraw/zinc/13/55/37/585135537.db2.gz YRLAGWDDHLQIFL-UHFFFAOYSA-N 1 2 226.345 1.148 20 0 BDADLO CC1(C)[C@H]([NH2+][C@@H]2CCOC2=O)[C@@H]2CCCO[C@@H]21 ZINC000743479268 585137380 /nfs/dbraw/zinc/13/73/80/585137380.db2.gz GNDCNCYTGMUUAY-ZDCRXTMVSA-N 1 2 239.315 1.095 20 0 BDADLO O=C(OCc1ccon1)c1ccc2[nH+]ccn2c1 ZINC000744995580 585155077 /nfs/dbraw/zinc/15/50/77/585155077.db2.gz AURBTCNNNGHFSD-UHFFFAOYSA-N 1 2 243.222 1.679 20 0 BDADLO CCCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081332 585156234 /nfs/dbraw/zinc/15/62/34/585156234.db2.gz GUECJFZNYKHFOA-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CCCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081332 585156235 /nfs/dbraw/zinc/15/62/35/585156235.db2.gz GUECJFZNYKHFOA-NSHDSACASA-N 1 2 227.304 1.383 20 0 BDADLO CC[N@H+](C)[C@@H](C(=O)OCCO)c1ccccc1 ZINC000745099124 585156895 /nfs/dbraw/zinc/15/68/95/585156895.db2.gz HZIWXZBJAATEAO-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CC[N@@H+](C)[C@@H](C(=O)OCCO)c1ccccc1 ZINC000745099124 585156896 /nfs/dbraw/zinc/15/68/96/585156896.db2.gz HZIWXZBJAATEAO-GFCCVEGCSA-N 1 2 237.299 1.215 20 0 BDADLO CCC[N@H+](C)CN1C(=O)c2cccc(N)c2C1=O ZINC000746075040 585162858 /nfs/dbraw/zinc/16/28/58/585162858.db2.gz YJPIPVLEGNBHJG-UHFFFAOYSA-N 1 2 247.298 1.164 20 0 BDADLO CCC[N@@H+](C)CN1C(=O)c2cccc(N)c2C1=O ZINC000746075040 585162859 /nfs/dbraw/zinc/16/28/59/585162859.db2.gz YJPIPVLEGNBHJG-UHFFFAOYSA-N 1 2 247.298 1.164 20 0 BDADLO CC1(OCC(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000746173866 585164321 /nfs/dbraw/zinc/16/43/21/585164321.db2.gz PEVZQIUCZFPSRC-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO Cc1ccc([C@@H](C)C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000746243451 585166337 /nfs/dbraw/zinc/16/63/37/585166337.db2.gz WKVIKJGKMMHTHF-SNVBAGLBSA-N 1 2 247.298 1.774 20 0 BDADLO CCCC[N@H+](CCF)[C@@H]1CCS(=O)(=O)C1 ZINC000746503250 585169024 /nfs/dbraw/zinc/16/90/24/585169024.db2.gz XFBLXZPCFTXMNE-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO CCCC[N@@H+](CCF)[C@@H]1CCS(=O)(=O)C1 ZINC000746503250 585169025 /nfs/dbraw/zinc/16/90/25/585169025.db2.gz XFBLXZPCFTXMNE-SNVBAGLBSA-N 1 2 237.340 1.245 20 0 BDADLO C[N@H+](C[C@@H]1CCCOC1)Cn1ccsc1=O ZINC000746618425 585171136 /nfs/dbraw/zinc/17/11/36/585171136.db2.gz HRNWXBMDBRHJJS-JTQLQIEISA-N 1 2 242.344 1.226 20 0 BDADLO C[N@@H+](C[C@@H]1CCCOC1)Cn1ccsc1=O ZINC000746618425 585171137 /nfs/dbraw/zinc/17/11/37/585171137.db2.gz HRNWXBMDBRHJJS-JTQLQIEISA-N 1 2 242.344 1.226 20 0 BDADLO C[C@@H]1C[C@H](CO[NH+]=C(N)[C@H]2CCCO2)CCO1 ZINC000789607793 585172846 /nfs/dbraw/zinc/17/28/46/585172846.db2.gz CRFRSFYLJKKHKY-GMTAPVOTSA-N 1 2 242.319 1.479 20 0 BDADLO CC(C)CO[C@H](C)C(N)=[NH+]OC[C@@H]1CCOC1 ZINC000747836302 585184995 /nfs/dbraw/zinc/18/49/95/585184995.db2.gz QKGMUCODCOMXPR-GHMZBOCLSA-N 1 2 244.335 1.582 20 0 BDADLO COC[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000748100539 585186939 /nfs/dbraw/zinc/18/69/39/585186939.db2.gz RRXDVIWPWWQURW-UWVGGRQHSA-N 1 2 232.324 1.581 20 0 BDADLO CN(C(=O)c1ccc2[nH+]ccn2c1)c1cn[nH]c1 ZINC000748386288 585192260 /nfs/dbraw/zinc/19/22/60/585192260.db2.gz IRASMHGIGYGDFE-UHFFFAOYSA-N 1 2 241.254 1.334 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccccc2)C1 ZINC000748455848 585192999 /nfs/dbraw/zinc/19/29/99/585192999.db2.gz HCHHJLCCWSPNRH-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccccc2)C1 ZINC000748455848 585193000 /nfs/dbraw/zinc/19/30/00/585193000.db2.gz HCHHJLCCWSPNRH-ZDUSSCGKSA-N 1 2 249.310 1.451 20 0 BDADLO CCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000748987656 585197769 /nfs/dbraw/zinc/19/77/69/585197769.db2.gz VQWIKLBIMMMWMR-JTQLQIEISA-N 1 2 249.314 1.448 20 0 BDADLO COC[C@](C)(CO)[NH2+]Cc1coc(C2CC2)n1 ZINC000749287533 585201117 /nfs/dbraw/zinc/20/11/17/585201117.db2.gz KAJWQHYMQXNIPF-LBPRGKRZSA-N 1 2 240.303 1.039 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CCCOC[C@H]1C ZINC000749515022 585203485 /nfs/dbraw/zinc/20/34/85/585203485.db2.gz JMEFZGJAFXUBAI-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CCCOC[C@H]1C ZINC000749515022 585203486 /nfs/dbraw/zinc/20/34/86/585203486.db2.gz JMEFZGJAFXUBAI-GHMZBOCLSA-N 1 2 229.320 1.439 20 0 BDADLO CO[C@@H](C)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000749564001 585203723 /nfs/dbraw/zinc/20/37/23/585203723.db2.gz OZCMIKWSNCPEMF-JTQLQIEISA-N 1 2 247.298 1.376 20 0 BDADLO CC1(C(=O)OCC[NH+]2CCOCC2)CCC1 ZINC000750534557 585216963 /nfs/dbraw/zinc/21/69/63/585216963.db2.gz JRZHDQSWULIDTH-UHFFFAOYSA-N 1 2 227.304 1.052 20 0 BDADLO COCCO[NH+]=C(N)Cc1ccccc1C ZINC000751126222 585224501 /nfs/dbraw/zinc/22/45/01/585224501.db2.gz IMUFMNWQQOUJAA-UHFFFAOYSA-N 1 2 222.288 1.682 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000751367099 585227625 /nfs/dbraw/zinc/22/76/25/585227625.db2.gz HAOGYYLHUASASD-LLVKDONJSA-N 1 2 240.347 1.180 20 0 BDADLO CC(C)=C(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000751367099 585227626 /nfs/dbraw/zinc/22/76/26/585227626.db2.gz HAOGYYLHUASASD-LLVKDONJSA-N 1 2 240.347 1.180 20 0 BDADLO c1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)on1 ZINC000751500367 585231481 /nfs/dbraw/zinc/23/14/81/585231481.db2.gz ZNDQDIMZLPIHBW-UHFFFAOYSA-N 1 2 233.275 1.172 20 0 BDADLO C[C@H]1CCC[N@@H+]1Cn1nc2c(cc1=O)CCCC2 ZINC000751933238 585239492 /nfs/dbraw/zinc/23/94/92/585239492.db2.gz JCQLHUBTOFYOCQ-NSHDSACASA-N 1 2 247.342 1.564 20 0 BDADLO C[C@H]1CCC[N@H+]1Cn1nc2c(cc1=O)CCCC2 ZINC000751933238 585239493 /nfs/dbraw/zinc/23/94/93/585239493.db2.gz JCQLHUBTOFYOCQ-NSHDSACASA-N 1 2 247.342 1.564 20 0 BDADLO COCC1([N@H+](C)Cc2cc(Cl)n(C)n2)CC1 ZINC000859216269 589020313 /nfs/dbraw/zinc/02/03/13/589020313.db2.gz HPZCVVJCMMOLDD-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO COCC1([N@@H+](C)Cc2cc(Cl)n(C)n2)CC1 ZINC000859216269 589020314 /nfs/dbraw/zinc/02/03/14/589020314.db2.gz HPZCVVJCMMOLDD-UHFFFAOYSA-N 1 2 243.738 1.684 20 0 BDADLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(C)c1 ZINC000752855132 585250936 /nfs/dbraw/zinc/25/09/36/585250936.db2.gz JUWSFEDSWNHMTP-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)c(C)c1 ZINC000752855132 585250937 /nfs/dbraw/zinc/25/09/37/585250937.db2.gz JUWSFEDSWNHMTP-NSHDSACASA-N 1 2 248.326 1.324 20 0 BDADLO CC[C@@H](C)[C@H]1C[N@H+](CCF)CCN1CCF ZINC000753182624 585254922 /nfs/dbraw/zinc/25/49/22/585254922.db2.gz FGDIKHZUMNVQDI-VXGBXAGGSA-N 1 2 234.334 1.958 20 0 BDADLO CC[C@@H](C)[C@H]1C[N@@H+](CCF)CCN1CCF ZINC000753182624 585254923 /nfs/dbraw/zinc/25/49/23/585254923.db2.gz FGDIKHZUMNVQDI-VXGBXAGGSA-N 1 2 234.334 1.958 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000753834901 585270585 /nfs/dbraw/zinc/27/05/85/585270585.db2.gz XRASMBDRBJMCNX-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO CCCOC(=O)[C@@H](C)[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000753834901 585270586 /nfs/dbraw/zinc/27/05/86/585270586.db2.gz XRASMBDRBJMCNX-WDEREUQCSA-N 1 2 243.347 1.827 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893808 585271656 /nfs/dbraw/zinc/27/16/56/585271656.db2.gz BEURQAJMVKPGPJ-NNYUYHANSA-N 1 2 239.315 1.049 20 0 BDADLO C[C@H]1C[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753893808 585271657 /nfs/dbraw/zinc/27/16/57/585271657.db2.gz BEURQAJMVKPGPJ-NNYUYHANSA-N 1 2 239.315 1.049 20 0 BDADLO C[C@@H]1COCC[N@H+](Cn2cccnc2=S)C1 ZINC000753983400 585274216 /nfs/dbraw/zinc/27/42/16/585274216.db2.gz BOSRFUGSPZOBRQ-JTQLQIEISA-N 1 2 239.344 1.538 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cn2cccnc2=S)C1 ZINC000753983400 585274217 /nfs/dbraw/zinc/27/42/17/585274217.db2.gz BOSRFUGSPZOBRQ-JTQLQIEISA-N 1 2 239.344 1.538 20 0 BDADLO C[C@@H]1COCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000753985424 585274302 /nfs/dbraw/zinc/27/43/02/585274302.db2.gz HMJFKJKMTDURHS-VIFPVBQESA-N 1 2 229.711 1.462 20 0 BDADLO C[C@@H]1COCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000753985424 585274303 /nfs/dbraw/zinc/27/43/03/585274303.db2.gz HMJFKJKMTDURHS-VIFPVBQESA-N 1 2 229.711 1.462 20 0 BDADLO CNC(=O)COc1ccc([NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000754124982 585279115 /nfs/dbraw/zinc/27/91/15/585279115.db2.gz DEOXQXJCFXXFGJ-GHMZBOCLSA-N 1 2 248.326 1.879 20 0 BDADLO CNC(=O)COc1ccc([NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000754124990 585279195 /nfs/dbraw/zinc/27/91/95/585279195.db2.gz DEOXQXJCFXXFGJ-QWRGUYRKSA-N 1 2 248.326 1.879 20 0 BDADLO CC[N@@H+]1CCN(C(=O)C(=O)C(C)(C)C)C[C@H]1C ZINC000754222295 585280690 /nfs/dbraw/zinc/28/06/90/585280690.db2.gz BGLQFVXXAODOHC-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO CC[N@H+]1CCN(C(=O)C(=O)C(C)(C)C)C[C@H]1C ZINC000754222295 585280691 /nfs/dbraw/zinc/28/06/91/585280691.db2.gz BGLQFVXXAODOHC-SNVBAGLBSA-N 1 2 240.347 1.154 20 0 BDADLO Cn1c[nH+]cc1COC(=O)[C@@H]1Cc2ccccc21 ZINC000754685834 585289350 /nfs/dbraw/zinc/28/93/50/585289350.db2.gz UDNDIZKOBPMRCD-CYBMUJFWSA-N 1 2 242.278 1.803 20 0 BDADLO Cc1cc(C(=O)OCc2c[nH+]cn2C)c(C)n1C ZINC000754685837 585289480 /nfs/dbraw/zinc/28/94/80/585289480.db2.gz UJWCCZXRIXJILL-UHFFFAOYSA-N 1 2 247.298 1.732 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)c1csc(C=O)c1 ZINC000754968939 585292775 /nfs/dbraw/zinc/29/27/75/585292775.db2.gz SOHHBQGNPUNTLT-UHFFFAOYSA-N 1 2 249.295 1.224 20 0 BDADLO CCc1c[nH+]ccc1NC(=O)C1(CC)COC1 ZINC000755388255 585298771 /nfs/dbraw/zinc/29/87/71/585298771.db2.gz VJOFDDNHPUZZIL-UHFFFAOYSA-N 1 2 234.299 1.431 20 0 BDADLO CCNC(=S)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755400192 585299085 /nfs/dbraw/zinc/29/90/85/585299085.db2.gz YPAQKUMONBEFEM-SECBINFHSA-N 1 2 238.360 1.104 20 0 BDADLO CO[C@H](C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755886142 585309362 /nfs/dbraw/zinc/30/93/62/585309362.db2.gz RYPCQRMQLSOBAW-SECBINFHSA-N 1 2 238.287 1.226 20 0 BDADLO Cc1nonc1C[N@H+]1CCCc2c(cnn2C)C1 ZINC000839625774 585332612 /nfs/dbraw/zinc/33/26/12/585332612.db2.gz VTIUBXWQGWGELY-UHFFFAOYSA-N 1 2 247.302 1.060 20 0 BDADLO Cc1nonc1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000839625774 585332613 /nfs/dbraw/zinc/33/26/13/585332613.db2.gz VTIUBXWQGWGELY-UHFFFAOYSA-N 1 2 247.302 1.060 20 0 BDADLO CCOC(=O)C[N@H+](CCF)CC(C)C ZINC000759330882 585367179 /nfs/dbraw/zinc/36/71/79/585367179.db2.gz UVFNZVYVNJRQIV-UHFFFAOYSA-N 1 2 205.273 1.477 20 0 BDADLO CCOC(=O)C[N@@H+](CCF)CC(C)C ZINC000759330882 585367180 /nfs/dbraw/zinc/36/71/80/585367180.db2.gz UVFNZVYVNJRQIV-UHFFFAOYSA-N 1 2 205.273 1.477 20 0 BDADLO C[N@H+](CCF)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000759346090 585369981 /nfs/dbraw/zinc/36/99/81/585369981.db2.gz WHQXUQWHAGECSW-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO C[N@@H+](CCF)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000759346090 585369982 /nfs/dbraw/zinc/36/99/82/585369982.db2.gz WHQXUQWHAGECSW-VHSXEESVSA-N 1 2 237.340 1.244 20 0 BDADLO COCC[N@H+](CCF)Cc1cccnc1 ZINC000759455725 585373393 /nfs/dbraw/zinc/37/33/93/585373393.db2.gz MEPWHPICCWBEBQ-UHFFFAOYSA-N 1 2 212.268 1.500 20 0 BDADLO COCC[N@@H+](CCF)Cc1cccnc1 ZINC000759455725 585373394 /nfs/dbraw/zinc/37/33/94/585373394.db2.gz MEPWHPICCWBEBQ-UHFFFAOYSA-N 1 2 212.268 1.500 20 0 BDADLO FC(F)C(F)(F)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000759523290 585374706 /nfs/dbraw/zinc/37/47/06/585374706.db2.gz UPIWZFQDEKYLPZ-UHFFFAOYSA-N 1 2 238.188 1.063 20 0 BDADLO FC(F)C(F)(F)C[N@H+]1CCc2nn[nH]c2C1 ZINC000759523290 585374707 /nfs/dbraw/zinc/37/47/07/585374707.db2.gz UPIWZFQDEKYLPZ-UHFFFAOYSA-N 1 2 238.188 1.063 20 0 BDADLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc[nH]1 ZINC000760271591 585388209 /nfs/dbraw/zinc/38/82/09/585388209.db2.gz DUVBMORKKHOXNG-MRVPVSSYSA-N 1 2 242.286 1.865 20 0 BDADLO CCO[C@@H](CC(=O)NC1=[NH+]CCS1)C(C)C ZINC000760305454 585389881 /nfs/dbraw/zinc/38/98/81/585389881.db2.gz QWEDHKDVJYTVFC-VIFPVBQESA-N 1 2 244.360 1.657 20 0 BDADLO CC(C)CC1CC[NH+](Cc2nnnn2C)CC1 ZINC000760921110 585401652 /nfs/dbraw/zinc/40/16/52/585401652.db2.gz OMNBJTYTRQEWCG-UHFFFAOYSA-N 1 2 237.351 1.468 20 0 BDADLO C[N@H+](CCCF)Cc1nnc2n1CCCCC2 ZINC000760946593 585402195 /nfs/dbraw/zinc/40/21/95/585402195.db2.gz RCBUHXORHOBELA-UHFFFAOYSA-N 1 2 240.326 1.796 20 0 BDADLO C[N@@H+](CCCF)Cc1nnc2n1CCCCC2 ZINC000760946593 585402196 /nfs/dbraw/zinc/40/21/96/585402196.db2.gz RCBUHXORHOBELA-UHFFFAOYSA-N 1 2 240.326 1.796 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+]1CCOC[C@@]1(C)CC ZINC000761108870 585409735 /nfs/dbraw/zinc/40/97/35/585409735.db2.gz FMOAMPBXGSNTHE-WCQYABFASA-N 1 2 243.347 1.829 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+]1CCOC[C@@]1(C)CC ZINC000761108870 585409736 /nfs/dbraw/zinc/40/97/36/585409736.db2.gz FMOAMPBXGSNTHE-WCQYABFASA-N 1 2 243.347 1.829 20 0 BDADLO C/C=C/C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762260257 585430447 /nfs/dbraw/zinc/43/04/47/585430447.db2.gz VBTRFXWXYXWQPW-NSCUHMNNSA-N 1 2 215.256 1.527 20 0 BDADLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)on1 ZINC000763293005 585446065 /nfs/dbraw/zinc/44/60/65/585446065.db2.gz FBRFJMHDMGPTRD-UHFFFAOYSA-N 1 2 235.243 1.427 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccoc2)CC[S@@]1=O ZINC000763495973 585449144 /nfs/dbraw/zinc/44/91/44/585449144.db2.gz YSSCNGQWJMTBDA-BMIGLBTASA-N 1 2 227.329 1.623 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccoc2)CC[S@@]1=O ZINC000763495973 585449145 /nfs/dbraw/zinc/44/91/45/585449145.db2.gz YSSCNGQWJMTBDA-BMIGLBTASA-N 1 2 227.329 1.623 20 0 BDADLO Cn1ccc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000763524363 585449564 /nfs/dbraw/zinc/44/95/64/585449564.db2.gz YXYGRXMKLOPZCW-UHFFFAOYSA-N 1 2 219.244 1.116 20 0 BDADLO C[C@H]1C[N@H+](Cc2ccoc2)CC[S@@](=O)C1 ZINC000763652536 585451606 /nfs/dbraw/zinc/45/16/06/585451606.db2.gz OMCXIDYNYRNFAJ-ZUZCIYMTSA-N 1 2 227.329 1.480 20 0 BDADLO C[C@H]1C[N@@H+](Cc2ccoc2)CC[S@@](=O)C1 ZINC000763652536 585451607 /nfs/dbraw/zinc/45/16/07/585451607.db2.gz OMCXIDYNYRNFAJ-ZUZCIYMTSA-N 1 2 227.329 1.480 20 0 BDADLO C[N@H+](C/C(Cl)=C/Cl)[C@]1(CO)CCOC1 ZINC000763891642 585456346 /nfs/dbraw/zinc/45/63/46/585456346.db2.gz QZAQVOMJOMDFMK-OTOXVQDCSA-N 1 2 240.130 1.389 20 0 BDADLO C[N@@H+](C/C(Cl)=C/Cl)[C@]1(CO)CCOC1 ZINC000763891642 585456347 /nfs/dbraw/zinc/45/63/47/585456347.db2.gz QZAQVOMJOMDFMK-OTOXVQDCSA-N 1 2 240.130 1.389 20 0 BDADLO CO[C@@H]1CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000764155734 585461005 /nfs/dbraw/zinc/46/10/05/585461005.db2.gz CGMMCYSDPXLBLR-SECBINFHSA-N 1 2 244.298 1.437 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CN1C(=O)CC12CCC2 ZINC000765099154 585481107 /nfs/dbraw/zinc/48/11/07/585481107.db2.gz MRHSOHURGKMNIQ-MNOVXSKESA-N 1 2 238.331 1.208 20 0 BDADLO C[C@@H]1[C@H](C)OCC[N@H+]1CN1C(=O)CC12CCC2 ZINC000765099154 585481108 /nfs/dbraw/zinc/48/11/08/585481108.db2.gz MRHSOHURGKMNIQ-MNOVXSKESA-N 1 2 238.331 1.208 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](C/C=C\Cl)CCN12 ZINC000766272675 585500077 /nfs/dbraw/zinc/50/00/77/585500077.db2.gz RABFIPUPOSAYQG-RZXPJHQTSA-N 1 2 214.696 1.046 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](C/C=C\Cl)CCN12 ZINC000766272675 585500078 /nfs/dbraw/zinc/50/00/78/585500078.db2.gz RABFIPUPOSAYQG-RZXPJHQTSA-N 1 2 214.696 1.046 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCC(=O)C1CC1 ZINC000767415156 585519575 /nfs/dbraw/zinc/51/95/75/585519575.db2.gz MTKLSZDUSNEYST-JTQLQIEISA-N 1 2 241.331 1.628 20 0 BDADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC(=O)C1CC1 ZINC000767415156 585519576 /nfs/dbraw/zinc/51/95/76/585519576.db2.gz MTKLSZDUSNEYST-JTQLQIEISA-N 1 2 241.331 1.628 20 0 BDADLO Cc1cc(NC(=O)NCCOC2CCC2)cc[nH+]1 ZINC000767895883 585527782 /nfs/dbraw/zinc/52/77/82/585527782.db2.gz PKLWJTQVBFLGCA-UHFFFAOYSA-N 1 2 249.314 1.503 20 0 BDADLO O[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000768141268 585532857 /nfs/dbraw/zinc/53/28/57/585532857.db2.gz UQGDFMKOZOSJLR-LLVKDONJSA-N 1 2 222.288 1.509 20 0 BDADLO O[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000768141268 585532858 /nfs/dbraw/zinc/53/28/58/585532858.db2.gz UQGDFMKOZOSJLR-LLVKDONJSA-N 1 2 222.288 1.509 20 0 BDADLO C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768154336 585533286 /nfs/dbraw/zinc/53/32/86/585533286.db2.gz LNYMLIBISINWDL-SRVKXCTJSA-N 1 2 247.342 1.782 20 0 BDADLO CCOC(=O)C[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000768247058 585534774 /nfs/dbraw/zinc/53/47/74/585534774.db2.gz SAYXPBLIUOVYFP-UHFFFAOYSA-N 1 2 249.310 1.712 20 0 BDADLO CCOC(=O)C[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000768247058 585534775 /nfs/dbraw/zinc/53/47/75/585534775.db2.gz SAYXPBLIUOVYFP-UHFFFAOYSA-N 1 2 249.310 1.712 20 0 BDADLO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)F ZINC000768320962 585535685 /nfs/dbraw/zinc/53/56/85/585535685.db2.gz XVQSBMVOWNJCQT-UHFFFAOYSA-N 1 2 239.294 1.512 20 0 BDADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000768770367 585543283 /nfs/dbraw/zinc/54/32/83/585543283.db2.gz IBPCCEODIPARPP-LLVKDONJSA-N 1 2 233.311 1.938 20 0 BDADLO C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000768770367 585543284 /nfs/dbraw/zinc/54/32/84/585543284.db2.gz IBPCCEODIPARPP-LLVKDONJSA-N 1 2 233.311 1.938 20 0 BDADLO CC(C)(C)OCC(N)=[NH+]OCc1ccccn1 ZINC000768941645 585546771 /nfs/dbraw/zinc/54/67/71/585546771.db2.gz NOMFGGPQRRDXJD-UHFFFAOYSA-N 1 2 237.303 1.895 20 0 BDADLO O=C1CC[C@@H]2C[N@H+](Cc3ccoc3)CCN12 ZINC000769205806 585551040 /nfs/dbraw/zinc/55/10/40/585551040.db2.gz IRELTZFFIZQCJS-LLVKDONJSA-N 1 2 220.272 1.086 20 0 BDADLO O=C1CC[C@@H]2C[N@@H+](Cc3ccoc3)CCN12 ZINC000769205806 585551041 /nfs/dbraw/zinc/55/10/41/585551041.db2.gz IRELTZFFIZQCJS-LLVKDONJSA-N 1 2 220.272 1.086 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)[C@@H](F)c1ccccc1 ZINC000769368507 585554845 /nfs/dbraw/zinc/55/48/45/585554845.db2.gz JZGPWUFJAQHRNS-LBPRGKRZSA-N 1 2 247.273 1.747 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)C2CC(=O)C2)c1 ZINC000769806011 585564103 /nfs/dbraw/zinc/56/41/03/585564103.db2.gz MYAPKCVYXZOJJB-UHFFFAOYSA-N 1 2 249.266 1.421 20 0 BDADLO CN(CC(C)(C)O)C(=O)c1cccc2[nH+]ccn21 ZINC000770656559 585579159 /nfs/dbraw/zinc/57/91/59/585579159.db2.gz KPDWSSHQSMSLCL-UHFFFAOYSA-N 1 2 247.298 1.177 20 0 BDADLO Cl/C=C(\Cl)C[N@@H+]1CCn2ncnc2C1 ZINC000770686776 585579776 /nfs/dbraw/zinc/57/97/76/585579776.db2.gz UMFDAONNVNUNMJ-CLTKARDFSA-N 1 2 233.102 1.413 20 0 BDADLO Cl/C=C(\Cl)C[N@H+]1CCn2ncnc2C1 ZINC000770686776 585579777 /nfs/dbraw/zinc/57/97/77/585579777.db2.gz UMFDAONNVNUNMJ-CLTKARDFSA-N 1 2 233.102 1.413 20 0 BDADLO CC(C)OC[C@H]1C[N@H+](C/C=C\Cl)CCO1 ZINC000770704690 585580158 /nfs/dbraw/zinc/58/01/58/585580158.db2.gz GSEYAJSBYGUBSA-DLRQAJBASA-N 1 2 233.739 1.865 20 0 BDADLO CC(C)OC[C@H]1C[N@@H+](C/C=C\Cl)CCO1 ZINC000770704690 585580159 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/nfs/dbraw/zinc/65/52/10/585655210.db2.gz PFNBNANXJVZETH-IJLUTSLNSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]1CC[C@@H](COC(=O)[C@@H]2CCCC[N@@H+]2C)O1 ZINC000774257318 585655284 /nfs/dbraw/zinc/65/52/84/585655284.db2.gz PFNBNANXJVZETH-WOPDTQHZSA-N 1 2 241.331 1.581 20 0 BDADLO C[C@@H]1CC[C@@H](COC(=O)[C@@H]2CCCC[N@H+]2C)O1 ZINC000774257318 585655285 /nfs/dbraw/zinc/65/52/85/585655285.db2.gz PFNBNANXJVZETH-WOPDTQHZSA-N 1 2 241.331 1.581 20 0 BDADLO Cc1nc([C@H]2CCC[N@@H+]2Cn2cnnc2)cs1 ZINC000774593047 585661548 /nfs/dbraw/zinc/66/15/48/585661548.db2.gz WWLCSIGPWSRLMI-LLVKDONJSA-N 1 2 249.343 1.838 20 0 BDADLO Cc1nc([C@H]2CCC[N@H+]2Cn2cnnc2)cs1 ZINC000774593047 585661549 /nfs/dbraw/zinc/66/15/49/585661549.db2.gz WWLCSIGPWSRLMI-LLVKDONJSA-N 1 2 249.343 1.838 20 0 BDADLO C[C@H]1CCOCC[N@@H+]1Cn1cccnc1=S ZINC000774650847 585662727 /nfs/dbraw/zinc/66/27/27/585662727.db2.gz SGTILLBZAJGSQG-JTQLQIEISA-N 1 2 239.344 1.681 20 0 BDADLO C[C@H]1CCOCC[N@H+]1Cn1cccnc1=S ZINC000774650847 585662728 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Cc1[nH]ncc1[C@@H](C)[NH2+]CCOc1cccnc1 ZINC000779062115 585744718 /nfs/dbraw/zinc/74/47/18/585744718.db2.gz SIPZQMHVDAQKIK-SNVBAGLBSA-N 1 2 246.314 1.843 20 0 BDADLO C/C=C(\C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779095190 585744900 /nfs/dbraw/zinc/74/49/00/585744900.db2.gz HKSICGWFRZOGPH-OTVCUZDGSA-N 1 2 219.288 1.280 20 0 BDADLO C[C@@H](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000779094596 585745271 /nfs/dbraw/zinc/74/52/71/585745271.db2.gz DBCBSXYARSDDRN-JQWIXIFHSA-N 1 2 247.342 1.750 20 0 BDADLO Cc1ccoc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000779198566 585747065 /nfs/dbraw/zinc/74/70/65/585747065.db2.gz JEQPDOFQJAYKPQ-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO Cc1ccoc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000779198566 585747066 /nfs/dbraw/zinc/74/70/66/585747066.db2.gz JEQPDOFQJAYKPQ-CYBMUJFWSA-N 1 2 235.283 1.870 20 0 BDADLO CCC/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779215847 585747462 /nfs/dbraw/zinc/74/74/62/585747462.db2.gz QKEIAFHLURSPDW-SGUJLRQBSA-N 1 2 233.315 1.670 20 0 BDADLO Cc1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000779428982 585754923 /nfs/dbraw/zinc/75/49/23/585754923.db2.gz LVKBAVLRPJCLAL-SNVBAGLBSA-N 1 2 229.287 1.850 20 0 BDADLO CCOC1CC(C(=O)OCCn2cc[nH+]c2)C1 ZINC000805643090 585758873 /nfs/dbraw/zinc/75/88/73/585758873.db2.gz QWNAKGDDSJVEOQ-UHFFFAOYSA-N 1 2 238.287 1.241 20 0 BDADLO CC/C(C)=C(/C)C(=O)NCc1[nH+]ccn1C ZINC000780929862 585786453 /nfs/dbraw/zinc/78/64/53/585786453.db2.gz ZWWBHOZNAQIAFM-KTKRTIGZSA-N 1 2 221.304 1.783 20 0 BDADLO C[C@@H](O)C(C)(C)NC(=O)c1cccc2[nH+]ccn21 ZINC000782028716 585806976 /nfs/dbraw/zinc/80/69/76/585806976.db2.gz IHGYTKWGUFQBPF-SECBINFHSA-N 1 2 247.298 1.224 20 0 BDADLO CN(C)c1cc(C[N@@H+]2CCOC(C)(C)C2)ccn1 ZINC000782177356 585809850 /nfs/dbraw/zinc/80/98/50/585809850.db2.gz WNPIYXUHNJTOMO-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO CN(C)c1cc(C[N@H+]2CCOC(C)(C)C2)ccn1 ZINC000782177356 585809851 /nfs/dbraw/zinc/80/98/51/585809851.db2.gz WNPIYXUHNJTOMO-UHFFFAOYSA-N 1 2 249.358 1.758 20 0 BDADLO COC(=O)/C(C)=C/CN1CCn2cc(C)[nH+]c2C1 ZINC000782514875 585819591 /nfs/dbraw/zinc/81/95/91/585819591.db2.gz QGXDADDVZHBQGJ-ONNFQVAWSA-N 1 2 249.314 1.126 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000782563678 585820270 /nfs/dbraw/zinc/82/02/70/585820270.db2.gz ZCLITQFHROEYBF-OLZOCXBDSA-N 1 2 248.326 1.590 20 0 BDADLO CC(C)OCCC(=O)OCCCn1cc[nH+]c1 ZINC000782725094 585824317 /nfs/dbraw/zinc/82/43/17/585824317.db2.gz JEQYVCAXTKBCNX-UHFFFAOYSA-N 1 2 240.303 1.632 20 0 BDADLO CC(C)c1nc(NCc2cn(C)nn2)cc[nH+]1 ZINC000782964915 585826533 /nfs/dbraw/zinc/82/65/33/585826533.db2.gz UEUCPIXDPSROHO-UHFFFAOYSA-N 1 2 232.291 1.341 20 0 BDADLO CCO[C@H](CC)C(=O)OCCCn1cc[nH+]c1 ZINC000783174253 585828938 /nfs/dbraw/zinc/82/89/38/585828938.db2.gz GKANWNPWGKDNGI-LLVKDONJSA-N 1 2 240.303 1.632 20 0 BDADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000805747173 585835629 /nfs/dbraw/zinc/83/56/29/585835629.db2.gz VLAZZMNSTNTXIH-SFYZADRCSA-N 1 2 248.252 1.760 20 0 BDADLO C[C@H](c1nncn1C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000805747173 585835630 /nfs/dbraw/zinc/83/56/30/585835630.db2.gz VLAZZMNSTNTXIH-SFYZADRCSA-N 1 2 248.252 1.760 20 0 BDADLO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cn[nH]c2)n1 ZINC000783674118 585839864 /nfs/dbraw/zinc/83/98/64/585839864.db2.gz UTLOVLUQRVUQKH-JTQLQIEISA-N 1 2 217.276 1.470 20 0 BDADLO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cn[nH]c2)n1 ZINC000783674118 585839865 /nfs/dbraw/zinc/83/98/65/585839865.db2.gz UTLOVLUQRVUQKH-JTQLQIEISA-N 1 2 217.276 1.470 20 0 BDADLO c1c[nH+]c([C@@H]2CCCN2Cc2cn[nH]c2)[nH]1 ZINC000783674118 585839866 /nfs/dbraw/zinc/83/98/66/585839866.db2.gz UTLOVLUQRVUQKH-JTQLQIEISA-N 1 2 217.276 1.470 20 0 BDADLO CO[C@H]1C[N@H+](Cn2ccsc2=O)CC[C@@H]1C ZINC000783972033 585846366 /nfs/dbraw/zinc/84/63/66/585846366.db2.gz NCCBXCQNDNCQCH-UWVGGRQHSA-N 1 2 242.344 1.224 20 0 BDADLO CO[C@H]1C[N@@H+](Cn2ccsc2=O)CC[C@@H]1C ZINC000783972033 585846367 /nfs/dbraw/zinc/84/63/67/585846367.db2.gz NCCBXCQNDNCQCH-UWVGGRQHSA-N 1 2 242.344 1.224 20 0 BDADLO CCC1(C(=O)OCCCn2cc[nH+]c2)COC1 ZINC000784082173 585849040 /nfs/dbraw/zinc/84/90/40/585849040.db2.gz BJFCOUWMDIWWIW-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)/C=C\C1CC1 ZINC000784905165 585868283 /nfs/dbraw/zinc/86/82/83/585868283.db2.gz BZZNORJWBLPRDK-WYGGZMRJSA-N 1 2 239.315 1.217 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1(C)CCC1 ZINC000784906597 585868327 /nfs/dbraw/zinc/86/83/27/585868327.db2.gz QDWAJDRUPBSANX-NSHDSACASA-N 1 2 241.331 1.441 20 0 BDADLO CS/C=C/C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784913969 585868638 /nfs/dbraw/zinc/86/86/38/585868638.db2.gz JYEPQUGIKNTELV-SIUBYYJGSA-N 1 2 245.344 1.127 20 0 BDADLO CC[C@@H](NC(=O)C1=COCC1)c1[nH]cc[nH+]1 ZINC000785420831 585873241 /nfs/dbraw/zinc/87/32/41/585873241.db2.gz FFHBUTPTHBVETA-SECBINFHSA-N 1 2 221.260 1.281 20 0 BDADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCC1(O)CC1 ZINC000785518833 585875325 /nfs/dbraw/zinc/87/53/25/585875325.db2.gz VRRZWBTULVKRBZ-JTQLQIEISA-N 1 2 244.335 1.461 20 0 BDADLO Cc1nc(F)ccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000785517482 585875371 /nfs/dbraw/zinc/87/53/71/585875371.db2.gz KHRFTFKTPGZJBS-SECBINFHSA-N 1 2 249.293 1.508 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc(F)nc1 ZINC000785638534 585876890 /nfs/dbraw/zinc/87/68/90/585876890.db2.gz BYQLMOXUUMJPSF-UHFFFAOYSA-N 1 2 235.218 1.274 20 0 BDADLO CC(=O)[C@H](C)OC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785742862 585879513 /nfs/dbraw/zinc/87/95/13/585879513.db2.gz PHYBRPNUOMZKAS-KKZNHRDASA-N 1 2 227.304 1.380 20 0 BDADLO Cc1nc2[nH]ccc2c(N2CC(O)(C(C)C)C2)[nH+]1 ZINC000786803388 585897452 /nfs/dbraw/zinc/89/74/52/585897452.db2.gz LHLBFZYUJCCNIZ-UHFFFAOYSA-N 1 2 246.314 1.473 20 0 BDADLO CC[N@H+](CC(=O)NC)Cc1ccc(F)nc1C ZINC000787083451 585900565 /nfs/dbraw/zinc/90/05/65/585900565.db2.gz LAQJFFUBZUBOSX-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO CC[N@@H+](CC(=O)NC)Cc1ccc(F)nc1C ZINC000787083451 585900566 /nfs/dbraw/zinc/90/05/66/585900566.db2.gz LAQJFFUBZUBOSX-UHFFFAOYSA-N 1 2 239.294 1.097 20 0 BDADLO Cc1nc(F)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000787170852 585902630 /nfs/dbraw/zinc/90/26/30/585902630.db2.gz CMRUUYODWQCAFK-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO Cc1nc(F)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000787170852 585902631 /nfs/dbraw/zinc/90/26/31/585902631.db2.gz CMRUUYODWQCAFK-TXEJJXNPSA-N 1 2 236.290 1.892 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000787308048 585906374 /nfs/dbraw/zinc/90/63/74/585906374.db2.gz NXVLBNZTVLXRNC-WOPDTQHZSA-N 1 2 247.342 1.750 20 0 BDADLO CCc1cccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000787309168 585906636 /nfs/dbraw/zinc/90/66/36/585906636.db2.gz BHSWPZQECUFUDI-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO CCc1cccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000787309168 585906637 /nfs/dbraw/zinc/90/66/37/585906637.db2.gz BHSWPZQECUFUDI-GFCCVEGCSA-N 1 2 246.354 1.912 20 0 BDADLO C/C=C(\CC)C(=O)OCCn1cc[nH+]c1 ZINC000789234127 585937689 /nfs/dbraw/zinc/93/76/89/585937689.db2.gz NLHXKMZIVGJHFG-XCVCLJGOSA-N 1 2 208.261 1.783 20 0 BDADLO Cc1cc(NC(=O)c2c[nH]nc2C2CC2)cc[nH+]1 ZINC000789766272 585949354 /nfs/dbraw/zinc/94/93/54/585949354.db2.gz LUOHLUSAWHJMGT-UHFFFAOYSA-N 1 2 242.282 1.665 20 0 BDADLO Cc1cc(NC(=O)c2cn[nH]c2C2CC2)cc[nH+]1 ZINC000789766272 585949355 /nfs/dbraw/zinc/94/93/55/585949355.db2.gz LUOHLUSAWHJMGT-UHFFFAOYSA-N 1 2 242.282 1.665 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1ccsc1 ZINC000789772348 585949778 /nfs/dbraw/zinc/94/97/78/585949778.db2.gz MMXZBQSUHKCFFS-UHFFFAOYSA-N 1 2 236.296 1.881 20 0 BDADLO C[C@@H]1C[C@@H]1C(=O)OCCCc1[nH+]ccn1C ZINC000789790814 585949899 /nfs/dbraw/zinc/94/98/99/585949899.db2.gz CNKXJEXSFCUHLY-ZJUUUORDSA-N 1 2 222.288 1.552 20 0 BDADLO CC(C)=CC(=O)OCCCc1[nH+]ccn1C ZINC000789791279 585950269 /nfs/dbraw/zinc/95/02/69/585950269.db2.gz JKCIETFRFZYNRN-UHFFFAOYSA-N 1 2 222.288 1.862 20 0 BDADLO C/C=C(/CC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000789820029 585951324 /nfs/dbraw/zinc/95/13/24/585951324.db2.gz YHTIUKSMGIEQPL-BNFOFFDWSA-N 1 2 233.315 1.740 20 0 BDADLO CC=C(CC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000789820029 585951325 /nfs/dbraw/zinc/95/13/25/585951325.db2.gz YHTIUKSMGIEQPL-BNFOFFDWSA-N 1 2 233.315 1.740 20 0 BDADLO C[NH+](C)[C@H](C(=O)Nc1cn[nH]n1)c1ccccc1 ZINC000789926665 585953576 /nfs/dbraw/zinc/95/35/76/585953576.db2.gz UVXDJOQAZDBPEU-NSHDSACASA-N 1 2 245.286 1.046 20 0 BDADLO C[NH+](C)[C@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789926665 585953577 /nfs/dbraw/zinc/95/35/77/585953577.db2.gz UVXDJOQAZDBPEU-NSHDSACASA-N 1 2 245.286 1.046 20 0 BDADLO C/C=C\C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790154862 585958815 /nfs/dbraw/zinc/95/88/15/585958815.db2.gz MJZDUVGBJHEKIR-ZZKXABKFSA-N 1 2 232.283 1.637 20 0 BDADLO COCC[N@H+](CCF)Cc1cncs1 ZINC000790436144 585964520 /nfs/dbraw/zinc/96/45/20/585964520.db2.gz HFMNJOLJDMXSDP-UHFFFAOYSA-N 1 2 218.297 1.561 20 0 BDADLO COCC[N@@H+](CCF)Cc1cncs1 ZINC000790436144 585964521 /nfs/dbraw/zinc/96/45/21/585964521.db2.gz HFMNJOLJDMXSDP-UHFFFAOYSA-N 1 2 218.297 1.561 20 0 BDADLO COC/C=C/C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000791338807 585977966 /nfs/dbraw/zinc/97/79/66/585977966.db2.gz AYCKVVKVVXFXIA-DUMNWFOQSA-N 1 2 249.314 1.666 20 0 BDADLO CCO[C@@H](CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791779059 585987818 /nfs/dbraw/zinc/98/78/18/585987818.db2.gz NUMUTXGLOVEXEA-JTQLQIEISA-N 1 2 238.287 1.522 20 0 BDADLO CC1=C(C(=O)OCc2cc[nH+]c(N)c2)CCCO1 ZINC000792070002 585995525 /nfs/dbraw/zinc/99/55/25/585995525.db2.gz MAZFRPNBJYGSPE-UHFFFAOYSA-N 1 2 248.282 1.791 20 0 BDADLO COCC1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000792111492 585995929 /nfs/dbraw/zinc/99/59/29/585995929.db2.gz JKPOGLOBHZQTBL-UHFFFAOYSA-N 1 2 236.271 1.134 20 0 BDADLO Nc1cc(COC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cc[nH+]1 ZINC000792116763 585996046 /nfs/dbraw/zinc/99/60/46/585996046.db2.gz CTAZGKWBMUQUNA-WCQGTBRESA-N 1 2 248.282 1.132 20 0 BDADLO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn[nH]c2C)C1 ZINC000792198774 585997397 /nfs/dbraw/zinc/99/73/97/585997397.db2.gz CAZBIEGUBQLYRX-KOLCDFICSA-N 1 2 237.303 1.149 20 0 BDADLO CC[C@H]([NH2+][C@H](CO)C1CC1)C(=O)OC(C)(C)C ZINC000792289729 585999192 /nfs/dbraw/zinc/99/91/92/585999192.db2.gz SXOHYWKOEDOUAR-WDEREUQCSA-N 1 2 243.347 1.467 20 0 BDADLO COCC1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000792695094 586004084 /nfs/dbraw/zinc/00/40/84/586004084.db2.gz XVXUZONATXAYOR-UHFFFAOYSA-N 1 2 238.287 1.243 20 0 BDADLO C/C=C(/C)C(=O)OCCc1c[nH+]cn1C ZINC000793253088 586014974 /nfs/dbraw/zinc/01/49/74/586014974.db2.gz WRBUTIVNOMAASN-WTKPLQERSA-N 1 2 208.261 1.472 20 0 BDADLO Cc1ccoc1C(=O)OCCc1c[nH+]cn1C ZINC000793250676 586015020 /nfs/dbraw/zinc/01/50/20/586015020.db2.gz JSYSUUIYTOAHSG-UHFFFAOYSA-N 1 2 234.255 1.721 20 0 BDADLO CS[C@@H](C)CC(=O)OCCc1c[nH+]cn1C ZINC000793252645 586015033 /nfs/dbraw/zinc/01/50/33/586015033.db2.gz IOUDRPVHINHLOW-VIFPVBQESA-N 1 2 242.344 1.647 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)Cc1cccnc1 ZINC000793250358 586015148 /nfs/dbraw/zinc/01/51/48/586015148.db2.gz MACZSHDZEWWGLK-UHFFFAOYSA-N 1 2 245.282 1.144 20 0 BDADLO Cc1cccc(C(=O)OCCc2c[nH+]cn2C)n1 ZINC000793256172 586015264 /nfs/dbraw/zinc/01/52/64/586015264.db2.gz PKOWAKXSGOFDOR-UHFFFAOYSA-N 1 2 245.282 1.523 20 0 BDADLO FC1(F)CC[NH+](Cc2cncnc2)CC1 ZINC000793362298 586017647 /nfs/dbraw/zinc/01/76/47/586017647.db2.gz QCSHJBDTTKOZHP-UHFFFAOYSA-N 1 2 213.231 1.708 20 0 BDADLO Cc1ccc(NC(=O)CC2OCCO2)c(C)[nH+]1 ZINC000793634002 586024559 /nfs/dbraw/zinc/02/45/59/586024559.db2.gz HMQFMUMSIOZQIW-UHFFFAOYSA-N 1 2 236.271 1.400 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC(F)(F)CC1 ZINC000794290395 586037378 /nfs/dbraw/zinc/03/73/78/586037378.db2.gz HGXAMNLFDNPIMV-UHFFFAOYSA-N 1 2 229.230 1.141 20 0 BDADLO NC(=[NH+]O[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000794519702 586041641 /nfs/dbraw/zinc/04/16/41/586041641.db2.gz RCWMECUPWDSXAA-JTQLQIEISA-N 1 2 240.690 1.975 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000794576711 586044693 /nfs/dbraw/zinc/04/46/93/586044693.db2.gz MHALJLGVIBKLDV-TUAOUCFPSA-N 1 2 243.347 1.469 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794583463 586045229 /nfs/dbraw/zinc/04/52/29/586045229.db2.gz IFZXTRYCLNRGJT-GYGFLDJKSA-N 1 2 249.314 1.666 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000794583463 586045230 /nfs/dbraw/zinc/04/52/30/586045230.db2.gz IFZXTRYCLNRGJT-GYGFLDJKSA-N 1 2 249.314 1.666 20 0 BDADLO NC(=[NH+]OCC1OCCO1)c1cccc(F)c1 ZINC000794718859 586047417 /nfs/dbraw/zinc/04/74/17/586047417.db2.gz AVMKUXDWCWFOSB-UHFFFAOYSA-N 1 2 240.234 1.045 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CCF ZINC000795144034 586069109 /nfs/dbraw/zinc/06/91/09/586069109.db2.gz REPGKKFGQGTEKU-PHIMTYICSA-N 1 2 244.354 1.923 20 0 BDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCF ZINC000795144034 586069111 /nfs/dbraw/zinc/06/91/11/586069111.db2.gz REPGKKFGQGTEKU-PHIMTYICSA-N 1 2 244.354 1.923 20 0 BDADLO Cc1nc2[nH]ccc2c(NCC2OCCCO2)[nH+]1 ZINC000795165140 586070040 /nfs/dbraw/zinc/07/00/40/586070040.db2.gz XLSDXIVZEJVZOJ-UHFFFAOYSA-N 1 2 248.286 1.441 20 0 BDADLO CC(C)Cc1noc(CCc2c[nH]c[nH+]2)n1 ZINC000795635415 586089570 /nfs/dbraw/zinc/08/95/70/586089570.db2.gz KIIVXSOJTAKMML-UHFFFAOYSA-N 1 2 220.276 1.776 20 0 BDADLO CC(C)Cc1noc(CCc2c[nH+]c[nH]2)n1 ZINC000795635415 586089571 /nfs/dbraw/zinc/08/95/71/586089571.db2.gz KIIVXSOJTAKMML-UHFFFAOYSA-N 1 2 220.276 1.776 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)O1 ZINC000795710380 586091595 /nfs/dbraw/zinc/09/15/95/586091595.db2.gz OUZIHJNCHZWUEE-OUAUKWLOSA-N 1 2 241.331 1.580 20 0 BDADLO C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)O1 ZINC000795710380 586091596 /nfs/dbraw/zinc/09/15/96/586091596.db2.gz OUZIHJNCHZWUEE-OUAUKWLOSA-N 1 2 241.331 1.580 20 0 BDADLO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000796480376 586105250 /nfs/dbraw/zinc/10/52/50/586105250.db2.gz DIFQLQLECVPKDF-BXUZGUMPSA-N 1 2 245.326 1.930 20 0 BDADLO Cc1nonc1C[NH+]1CCC(F)(F)CC1 ZINC000796539149 586106436 /nfs/dbraw/zinc/10/64/36/586106436.db2.gz KESNULJZXNXWGN-UHFFFAOYSA-N 1 2 217.219 1.609 20 0 BDADLO CC[C@@H](C)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796549065 586106777 /nfs/dbraw/zinc/10/67/77/586106777.db2.gz GQSFXYBOFAUPIY-SECBINFHSA-N 1 2 234.290 1.632 20 0 BDADLO CC[C@H](C)[C@@H](OC)C(=O)OCc1c[nH+]cn1C ZINC000796745749 586111407 /nfs/dbraw/zinc/11/14/07/586111407.db2.gz RDXCULGOVKRQMZ-GXSJLCMTSA-N 1 2 240.303 1.524 20 0 BDADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCF ZINC000797837998 586132662 /nfs/dbraw/zinc/13/26/62/586132662.db2.gz DCEMAIWPJDKLRJ-UHFFFAOYSA-N 1 2 237.282 1.963 20 0 BDADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)C1CC1 ZINC000798623779 586146577 /nfs/dbraw/zinc/14/65/77/586146577.db2.gz UYZYJRYFBPFCSP-KOLCDFICSA-N 1 2 239.315 1.382 20 0 BDADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)C1CC1 ZINC000798623779 586146578 /nfs/dbraw/zinc/14/65/78/586146578.db2.gz UYZYJRYFBPFCSP-KOLCDFICSA-N 1 2 239.315 1.382 20 0 BDADLO COC1CC(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000859349264 589033052 /nfs/dbraw/zinc/03/30/52/589033052.db2.gz VIENETHPQUHFMV-UDNWOFFPSA-N 1 2 235.274 1.113 20 0 BDADLO COC1CC(C[N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000859349264 589033054 /nfs/dbraw/zinc/03/30/54/589033054.db2.gz VIENETHPQUHFMV-UDNWOFFPSA-N 1 2 235.274 1.113 20 0 BDADLO Cc1cc(C)nc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000800804282 586229726 /nfs/dbraw/zinc/22/97/26/586229726.db2.gz UHLICXKKSAYWNA-UHFFFAOYSA-N 1 2 244.298 1.325 20 0 BDADLO Cc1cc(N2CCO[C@H](C(F)F)C2)nc[nH+]1 ZINC000800876900 586234672 /nfs/dbraw/zinc/23/46/72/586234672.db2.gz PZJXLUDPLOMIIB-QMMMGPOBSA-N 1 2 229.230 1.255 20 0 BDADLO CC1(C)CC[C@@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801568068 586261126 /nfs/dbraw/zinc/26/11/26/586261126.db2.gz XAOQQMQXURZXEB-VHSXEESVSA-N 1 2 249.301 1.910 20 0 BDADLO CC1(C)CC[C@@H](C[N@H+]2CCO[C@@H](C(F)F)C2)O1 ZINC000801568068 586261128 /nfs/dbraw/zinc/26/11/28/586261128.db2.gz XAOQQMQXURZXEB-VHSXEESVSA-N 1 2 249.301 1.910 20 0 BDADLO CCCc1nc(C(=O)OCc2c[nH+]cn2C)co1 ZINC000802098303 586289303 /nfs/dbraw/zinc/28/93/03/586289303.db2.gz LEUVRGXIWMHXAU-UHFFFAOYSA-N 1 2 249.270 1.718 20 0 BDADLO CS[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000802228119 586296847 /nfs/dbraw/zinc/29/68/47/586296847.db2.gz KGYZRWFCWUFOGO-MRVPVSSYSA-N 1 2 214.290 1.178 20 0 BDADLO CCCCSCC(=O)OCCn1cc[nH+]c1 ZINC000802227879 586296943 /nfs/dbraw/zinc/29/69/43/586296943.db2.gz DTZNEHAHZLBMJJ-UHFFFAOYSA-N 1 2 242.344 1.960 20 0 BDADLO CC1(C)C[C@@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802232954 586298046 /nfs/dbraw/zinc/29/80/46/586298046.db2.gz MHPFACQXVVQLAC-VHSXEESVSA-N 1 2 229.295 1.620 20 0 BDADLO CC1(C)C[C@@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802232954 586298048 /nfs/dbraw/zinc/29/80/48/586298048.db2.gz MHPFACQXVVQLAC-VHSXEESVSA-N 1 2 229.295 1.620 20 0 BDADLO C[C@@]1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCOC1 ZINC000802238662 586298949 /nfs/dbraw/zinc/29/89/49/586298949.db2.gz JRUZPDAVZIBNEU-ZYHUDNBSSA-N 1 2 245.294 1.000 20 0 BDADLO C[C@@]1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCOC1 ZINC000802238662 586298952 /nfs/dbraw/zinc/29/89/52/586298952.db2.gz JRUZPDAVZIBNEU-ZYHUDNBSSA-N 1 2 245.294 1.000 20 0 BDADLO CC(C)C(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000802248954 586299922 /nfs/dbraw/zinc/29/99/22/586299922.db2.gz ZCVFUEOUEQDZCD-LLVKDONJSA-N 1 2 229.320 1.341 20 0 BDADLO C[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@H](C)CO1 ZINC000839959253 586300909 /nfs/dbraw/zinc/30/09/09/586300909.db2.gz KNVRGOYEDIDIAT-KKOKHZNYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@H](C)CO1 ZINC000839959253 586300910 /nfs/dbraw/zinc/30/09/10/586300910.db2.gz KNVRGOYEDIDIAT-KKOKHZNYSA-N 1 2 238.331 1.064 20 0 BDADLO C[C@@H]1CN(C[N@@H+]2CCOC(C)(C)C2)C(=O)[C@H]1C ZINC000839964692 586304799 /nfs/dbraw/zinc/30/47/99/586304799.db2.gz RFVSFLCKVPTJMP-MNOVXSKESA-N 1 2 240.347 1.169 20 0 BDADLO C[C@@H]1CN(C[N@H+]2CCOC(C)(C)C2)C(=O)[C@H]1C ZINC000839964692 586304801 /nfs/dbraw/zinc/30/48/01/586304801.db2.gz RFVSFLCKVPTJMP-MNOVXSKESA-N 1 2 240.347 1.169 20 0 BDADLO CC1(C)CCN(C[N@@H+]2CCOC(C)(C)C2)C1=O ZINC000839964060 586304834 /nfs/dbraw/zinc/30/48/34/586304834.db2.gz NASLTGBGQDWYAY-UHFFFAOYSA-N 1 2 240.347 1.313 20 0 BDADLO CC1(C)CCN(C[N@H+]2CCOC(C)(C)C2)C1=O ZINC000839964060 586304836 /nfs/dbraw/zinc/30/48/36/586304836.db2.gz NASLTGBGQDWYAY-UHFFFAOYSA-N 1 2 240.347 1.313 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000802654646 586308621 /nfs/dbraw/zinc/30/86/21/586308621.db2.gz YLQBNLIMVXKQFE-JTQLQIEISA-N 1 2 230.258 1.491 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000802654646 586308624 /nfs/dbraw/zinc/30/86/24/586308624.db2.gz YLQBNLIMVXKQFE-JTQLQIEISA-N 1 2 230.258 1.491 20 0 BDADLO Cn1cccc1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000802654649 586308865 /nfs/dbraw/zinc/30/88/65/586308865.db2.gz YLQBNLIMVXKQFE-SNVBAGLBSA-N 1 2 230.258 1.491 20 0 BDADLO Cn1cccc1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000802654649 586308867 /nfs/dbraw/zinc/30/88/67/586308867.db2.gz YLQBNLIMVXKQFE-SNVBAGLBSA-N 1 2 230.258 1.491 20 0 BDADLO C[C@@H]1C[N@H+](CCSC2=NCCS2)CCO1 ZINC000839978594 586313420 /nfs/dbraw/zinc/31/34/20/586313420.db2.gz MRJMOKURQGXOQI-SECBINFHSA-N 1 2 246.401 1.543 20 0 BDADLO C[C@@H]1C[N@@H+](CCSC2=NCCS2)CCO1 ZINC000839978594 586313423 /nfs/dbraw/zinc/31/34/23/586313423.db2.gz MRJMOKURQGXOQI-SECBINFHSA-N 1 2 246.401 1.543 20 0 BDADLO Cn1cc[nH+]c1CCCOC(=O)c1cocn1 ZINC000802787633 586314293 /nfs/dbraw/zinc/31/42/93/586314293.db2.gz IADPSCDFXRGXLF-UHFFFAOYSA-N 1 2 235.243 1.198 20 0 BDADLO CC[C@@H]1C[N@H+](CN2CC[C@@H](C)C2=O)C[C@@H](C)O1 ZINC000839993742 586335817 /nfs/dbraw/zinc/33/58/17/586335817.db2.gz REMUNWBPDKTXLO-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@@H]1C[N@@H+](CN2CC[C@@H](C)C2=O)C[C@@H](C)O1 ZINC000839993742 586335820 /nfs/dbraw/zinc/33/58/20/586335820.db2.gz REMUNWBPDKTXLO-IJLUTSLNSA-N 1 2 240.347 1.312 20 0 BDADLO Nc1ccc(CCC(=O)OCc2cn[nH]c2)c[nH+]1 ZINC000803406387 586352499 /nfs/dbraw/zinc/35/24/99/586352499.db2.gz UBUDYWQXOUAJFK-UHFFFAOYSA-N 1 2 246.270 1.063 20 0 BDADLO COC(=O)C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585252 589047145 /nfs/dbraw/zinc/04/71/45/589047145.db2.gz MFUQWAXKQVAKOD-AWEZNQCLSA-N 1 2 249.310 1.143 20 0 BDADLO COC(=O)C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585252 589047147 /nfs/dbraw/zinc/04/71/47/589047147.db2.gz MFUQWAXKQVAKOD-AWEZNQCLSA-N 1 2 249.310 1.143 20 0 BDADLO CC(C)[C@@H](C(=O)O[C@@H]1CCCCC1=O)[NH+](C)C ZINC000803696905 586369565 /nfs/dbraw/zinc/36/95/65/586369565.db2.gz GHAIGVTVBCPQSQ-NEPJUHHUSA-N 1 2 241.331 1.628 20 0 BDADLO CC1(C)CC(C(=O)OCC[NH+]2CCOCC2)C1 ZINC000803755517 586372010 /nfs/dbraw/zinc/37/20/10/586372010.db2.gz FJZLFJKFFYANRV-UHFFFAOYSA-N 1 2 241.331 1.298 20 0 BDADLO CC(C)S(=O)(=O)CC[NH+](C1CC1)C1CC1 ZINC000859623886 589049803 /nfs/dbraw/zinc/04/98/03/589049803.db2.gz VMSYCKJOFZOQBP-UHFFFAOYSA-N 1 2 231.361 1.436 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2CC(C)(C)OC[C@@H]2C)C1=O ZINC000840055245 586404226 /nfs/dbraw/zinc/40/42/26/586404226.db2.gz MXCYGCFAHHVSIK-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2CC(C)(C)OC[C@@H]2C)C1=O ZINC000840055245 586404228 /nfs/dbraw/zinc/40/42/28/586404228.db2.gz MXCYGCFAHHVSIK-MNOVXSKESA-N 1 2 240.347 1.312 20 0 BDADLO C[C@@H]1CCN(C[NH+]2CCC(F)(F)CC2)C1=O ZINC000840064156 586413937 /nfs/dbraw/zinc/41/39/37/586413937.db2.gz ZUHUGKKYAFUGHV-SECBINFHSA-N 1 2 232.274 1.543 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)NOC1CCCCC1 ZINC000807289144 586431931 /nfs/dbraw/zinc/43/19/31/586431931.db2.gz KKPTXYQRODWSHQ-UHFFFAOYSA-N 1 2 237.303 1.723 20 0 BDADLO CC[NH2+]Cc1noc([C@@H]2CCO[C@@H](C)C2)n1 ZINC000843145048 586433426 /nfs/dbraw/zinc/43/34/26/586433426.db2.gz SFYSXRJLNXEXEV-DTWKUNHWSA-N 1 2 225.292 1.462 20 0 BDADLO C[C@]1(F)CCC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000840100689 586445844 /nfs/dbraw/zinc/44/58/44/586445844.db2.gz WFZUQKMHJFZZLI-JTQLQIEISA-N 1 2 229.324 1.953 20 0 BDADLO C[C@]1(F)CCC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000840100689 586445846 /nfs/dbraw/zinc/44/58/46/586445846.db2.gz WFZUQKMHJFZZLI-JTQLQIEISA-N 1 2 229.324 1.953 20 0 BDADLO C[C@H]1C(=O)N(C[N@@H+]2CCC[C@](C)(F)C2)C[C@H]1C ZINC000840098514 586445972 /nfs/dbraw/zinc/44/59/72/586445972.db2.gz HXERELIGLHDCCV-WZRBSPASSA-N 1 2 242.338 1.882 20 0 BDADLO C[C@H]1C(=O)N(C[N@H+]2CCC[C@](C)(F)C2)C[C@H]1C ZINC000840098514 586445974 /nfs/dbraw/zinc/44/59/74/586445974.db2.gz HXERELIGLHDCCV-WZRBSPASSA-N 1 2 242.338 1.882 20 0 BDADLO O=C1CC2(CCC2)N1C[N@H+]1CC[C@H](F)C1 ZINC000840102741 586446634 /nfs/dbraw/zinc/44/66/34/586446634.db2.gz CANGKCDYNCTDAK-VIFPVBQESA-N 1 2 212.268 1.143 20 0 BDADLO O=C1CC2(CCC2)N1C[N@@H+]1CC[C@H](F)C1 ZINC000840102741 586446636 /nfs/dbraw/zinc/44/66/36/586446636.db2.gz CANGKCDYNCTDAK-VIFPVBQESA-N 1 2 212.268 1.143 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000808149345 586464830 /nfs/dbraw/zinc/46/48/30/586464830.db2.gz DSAPOCBMKHSXOT-CYBMUJFWSA-N 1 2 240.347 1.315 20 0 BDADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000808149345 586464831 /nfs/dbraw/zinc/46/48/31/586464831.db2.gz DSAPOCBMKHSXOT-CYBMUJFWSA-N 1 2 240.347 1.315 20 0 BDADLO NC(Cc1cccnc1)=[NH+]OCCOC1CCC1 ZINC000808260104 586468889 /nfs/dbraw/zinc/46/88/89/586468889.db2.gz JNXJUPHYTGDHKO-UHFFFAOYSA-N 1 2 249.314 1.692 20 0 BDADLO CC(C)c1cc(C[NH2+]Cc2cn(C)cn2)on1 ZINC000808389408 586470470 /nfs/dbraw/zinc/47/04/70/586470470.db2.gz GFPORJSWIWQXFF-UHFFFAOYSA-N 1 2 234.303 1.821 20 0 BDADLO CC(C)c1cc(CNCc2cn(C)c[nH+]2)on1 ZINC000808389408 586470472 /nfs/dbraw/zinc/47/04/72/586470472.db2.gz GFPORJSWIWQXFF-UHFFFAOYSA-N 1 2 234.303 1.821 20 0 BDADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC=C(C)C)C1 ZINC000808521796 586476994 /nfs/dbraw/zinc/47/69/94/586476994.db2.gz DZQWXAUNWIITAH-LLVKDONJSA-N 1 2 227.304 1.217 20 0 BDADLO CC[N@H+]1CCO[C@@H](C(=O)OCC=C(C)C)C1 ZINC000808521796 586476995 /nfs/dbraw/zinc/47/69/95/586476995.db2.gz DZQWXAUNWIITAH-LLVKDONJSA-N 1 2 227.304 1.217 20 0 BDADLO COc1cc[nH+]cc1COC(=O)C1=CCOCC1 ZINC000809061903 586494743 /nfs/dbraw/zinc/49/47/43/586494743.db2.gz NHCXSIZUHPVLEU-UHFFFAOYSA-N 1 2 249.266 1.480 20 0 BDADLO COc1cc[nH+]cc1COC(=O)c1cocn1 ZINC000809062126 586494949 /nfs/dbraw/zinc/49/49/49/586494949.db2.gz DTNSQSBFFYZHKE-UHFFFAOYSA-N 1 2 234.211 1.435 20 0 BDADLO COc1cc(C)[nH+]c(CNCc2nonc2C)c1 ZINC000809744893 586516479 /nfs/dbraw/zinc/51/64/79/586516479.db2.gz HNFRPOBUTKKEPS-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO Cc1cccc2c1CC[N@@H+](Cc1cnn(C)n1)C2 ZINC000809943237 586524900 /nfs/dbraw/zinc/52/49/00/586524900.db2.gz ZRGLVGUVJGPKSO-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cc1cccc2c1CC[N@H+](Cc1cnn(C)n1)C2 ZINC000809943237 586524901 /nfs/dbraw/zinc/52/49/01/586524901.db2.gz ZRGLVGUVJGPKSO-UHFFFAOYSA-N 1 2 242.326 1.682 20 0 BDADLO Cn1ncc(C[N@H+](C)CCc2ccccc2F)n1 ZINC000809946643 586525238 /nfs/dbraw/zinc/52/52/38/586525238.db2.gz HWRAVUDOPZOCHL-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO Cn1ncc(C[N@@H+](C)CCc2ccccc2F)n1 ZINC000809946643 586525239 /nfs/dbraw/zinc/52/52/39/586525239.db2.gz HWRAVUDOPZOCHL-UHFFFAOYSA-N 1 2 248.305 1.629 20 0 BDADLO Cc1ccccc1C(N)=[NH+]OCc1cnn(C)n1 ZINC000809990646 586529140 /nfs/dbraw/zinc/52/91/40/586529140.db2.gz ACTKZPRSGQYYPP-UHFFFAOYSA-N 1 2 245.286 1.170 20 0 BDADLO Cn1ncc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000809988553 586529426 /nfs/dbraw/zinc/52/94/26/586529426.db2.gz GIVBGWMMSOEMMF-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1ncc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000809988553 586529427 /nfs/dbraw/zinc/52/94/27/586529427.db2.gz GIVBGWMMSOEMMF-QMMMGPOBSA-N 1 2 248.252 1.589 20 0 BDADLO Cn1nncc1CO[NH+]=C(N)Cc1ccccc1 ZINC000809993974 586529618 /nfs/dbraw/zinc/52/96/18/586529618.db2.gz JPWRZGAYZSNJFO-UHFFFAOYSA-N 1 2 245.286 1.056 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnn(C)n1 ZINC000809998813 586529937 /nfs/dbraw/zinc/52/99/37/586529937.db2.gz WDPUISSJSHJPGI-APPZFPTMSA-N 1 2 248.252 1.588 20 0 BDADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnn(C)n1 ZINC000809998813 586529939 /nfs/dbraw/zinc/52/99/39/586529939.db2.gz WDPUISSJSHJPGI-APPZFPTMSA-N 1 2 248.252 1.588 20 0 BDADLO CON(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810230388 586537481 /nfs/dbraw/zinc/53/74/81/586537481.db2.gz VMDCAOUZPLKFGC-UHFFFAOYSA-N 1 2 220.232 1.359 20 0 BDADLO CC(C)[N@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC000810313281 586538326 /nfs/dbraw/zinc/53/83/26/586538326.db2.gz BEODTCNJLYHNCD-ZETCQYMHSA-N 1 2 244.232 1.343 20 0 BDADLO CC(C)[N@@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC000810313281 586538327 /nfs/dbraw/zinc/53/83/27/586538327.db2.gz BEODTCNJLYHNCD-ZETCQYMHSA-N 1 2 244.232 1.343 20 0 BDADLO CC(C)[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC000810313281 586538328 /nfs/dbraw/zinc/53/83/28/586538328.db2.gz BEODTCNJLYHNCD-ZETCQYMHSA-N 1 2 244.232 1.343 20 0 BDADLO CC(C)[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC000810313281 586538329 /nfs/dbraw/zinc/53/83/29/586538329.db2.gz BEODTCNJLYHNCD-ZETCQYMHSA-N 1 2 244.232 1.343 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC[N@@H+]1C ZINC000810442389 586539190 /nfs/dbraw/zinc/53/91/90/586539190.db2.gz QZUKPHZZGUCXDV-RNFRBKRXSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC[N@H+]1C ZINC000810442389 586539191 /nfs/dbraw/zinc/53/91/91/586539191.db2.gz QZUKPHZZGUCXDV-RNFRBKRXSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@@H+]1C ZINC000810442389 586539192 /nfs/dbraw/zinc/53/91/92/586539192.db2.gz QZUKPHZZGUCXDV-RNFRBKRXSA-N 1 2 242.216 1.049 20 0 BDADLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[N@H+]1C ZINC000810442389 586539193 /nfs/dbraw/zinc/53/91/93/586539193.db2.gz QZUKPHZZGUCXDV-RNFRBKRXSA-N 1 2 242.216 1.049 20 0 BDADLO CSCC(C)(C)C(=O)OCc1c[nH+]cn1C ZINC000810601672 586542151 /nfs/dbraw/zinc/54/21/51/586542151.db2.gz FKHQWJWPYYVWDN-UHFFFAOYSA-N 1 2 242.344 1.853 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1conc1C1CC1 ZINC000810719668 586545390 /nfs/dbraw/zinc/54/53/90/586545390.db2.gz TYRMARGSQPRHRR-UHFFFAOYSA-N 1 2 247.254 1.606 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(CCF)CC1 ZINC000810719411 586545440 /nfs/dbraw/zinc/54/54/40/586545440.db2.gz JOEGSIPEKOAKLT-UHFFFAOYSA-N 1 2 226.251 1.566 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(F)CCCC1 ZINC000810755198 586546515 /nfs/dbraw/zinc/54/65/15/586546515.db2.gz OSUSPKFNXOZFRX-UHFFFAOYSA-N 1 2 225.267 1.319 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)C1(C(F)(F)F)CC1 ZINC000811588935 586561869 /nfs/dbraw/zinc/56/18/69/586561869.db2.gz FEKJOUAVUODUQZ-UHFFFAOYSA-N 1 2 247.220 1.379 20 0 BDADLO NC(=[NH+]OCCC[C@H]1CCOC1)[C@H]1CCCO1 ZINC000842650030 586578033 /nfs/dbraw/zinc/57/80/33/586578033.db2.gz IGZAOLVVCIKJPA-WDEREUQCSA-N 1 2 242.319 1.481 20 0 BDADLO O=C(NOC1CCC1)c1ccc2[nH+]ccn2c1 ZINC000812793518 586585634 /nfs/dbraw/zinc/58/56/34/586585634.db2.gz XUGSEENQBWIXDZ-UHFFFAOYSA-N 1 2 231.255 1.548 20 0 BDADLO CONC(=O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000812876499 586588412 /nfs/dbraw/zinc/58/84/12/586588412.db2.gz FWVFEWWBCFRBAS-NSHDSACASA-N 1 2 240.347 1.757 20 0 BDADLO CC[C@H](C)CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842657006 586588976 /nfs/dbraw/zinc/58/89/76/586588976.db2.gz QTBFFGMDPSHMQM-QWRGUYRKSA-N 1 2 244.335 1.727 20 0 BDADLO COC(=O)c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000813585111 586603868 /nfs/dbraw/zinc/60/38/68/586603868.db2.gz FKUZYDKBNCOVJY-UHFFFAOYSA-N 1 2 246.270 1.177 20 0 BDADLO CS(=O)(=O)CCCCOc1cc[nH+]cc1 ZINC000814266038 586620995 /nfs/dbraw/zinc/62/09/95/586620995.db2.gz VFYVDFQILHZXCF-UHFFFAOYSA-N 1 2 229.301 1.285 20 0 BDADLO CO[C@@H]1CCC[C@H](C(=O)NC2=[NH+]CCS2)C1 ZINC000814379825 586621600 /nfs/dbraw/zinc/62/16/00/586621600.db2.gz LIIWXIONBHFRQT-DTWKUNHWSA-N 1 2 242.344 1.411 20 0 BDADLO C[C@H]1CN(C(=O)c2ncoc2C2CC2)CC[N@@H+]1C ZINC000815700489 586692134 /nfs/dbraw/zinc/69/21/34/586692134.db2.gz JQRSUFJAGORMGC-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO C[C@H]1CN(C(=O)c2ncoc2C2CC2)CC[N@H+]1C ZINC000815700489 586692136 /nfs/dbraw/zinc/69/21/36/586692136.db2.gz JQRSUFJAGORMGC-VIFPVBQESA-N 1 2 249.314 1.328 20 0 BDADLO Cn1ncc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC000816614661 586744497 /nfs/dbraw/zinc/74/44/97/586744497.db2.gz BUVSXOIOPJLRDJ-LBPRGKRZSA-N 1 2 232.331 1.580 20 0 BDADLO Cn1ncc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC000816614661 586744499 /nfs/dbraw/zinc/74/44/99/586744499.db2.gz BUVSXOIOPJLRDJ-LBPRGKRZSA-N 1 2 232.331 1.580 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(Cl)cnn1C ZINC000816649356 586752564 /nfs/dbraw/zinc/75/25/64/586752564.db2.gz XVXDGUGSVVDQKR-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1c(Cl)cnn1C ZINC000816649356 586752566 /nfs/dbraw/zinc/75/25/66/586752566.db2.gz XVXDGUGSVVDQKR-JGVFFNPUSA-N 1 2 213.712 1.914 20 0 BDADLO C=C=CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816700204 586758564 /nfs/dbraw/zinc/75/85/64/586758564.db2.gz SKVWYZJDZFYMJE-UHFFFAOYSA-N 1 2 239.278 1.943 20 0 BDADLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ncc[nH]1 ZINC000816718811 586759978 /nfs/dbraw/zinc/75/99/78/586759978.db2.gz GFYMTDWWEIXBHK-SNVBAGLBSA-N 1 2 247.302 1.264 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000859824849 589063971 /nfs/dbraw/zinc/06/39/71/589063971.db2.gz FNWUSJASFCULEJ-LVEVGFFFSA-N 1 2 243.347 1.730 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCc1cccs1 ZINC000816817519 586766226 /nfs/dbraw/zinc/76/62/26/586766226.db2.gz DPUSOLUZBOXFNE-UHFFFAOYSA-N 1 2 221.285 1.330 20 0 BDADLO Cc1ccc(CN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816819622 586766314 /nfs/dbraw/zinc/76/63/14/586766314.db2.gz KHVAUHKUDQPIFI-UHFFFAOYSA-N 1 2 243.310 1.919 20 0 BDADLO CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816839895 586767835 /nfs/dbraw/zinc/76/78/35/586767835.db2.gz SUBLPVFPCILEOU-UHFFFAOYSA-N 1 2 209.293 1.649 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCc2occc21 ZINC000816847663 586768619 /nfs/dbraw/zinc/76/86/19/586768619.db2.gz IKHFNFTWDQCOMM-SNVBAGLBSA-N 1 2 245.282 1.739 20 0 BDADLO CCN(CC(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816863162 586769074 /nfs/dbraw/zinc/76/90/74/586769074.db2.gz ZUBATOMUKFMZQN-UHFFFAOYSA-N 1 2 209.293 1.457 20 0 BDADLO C[C@H]1SCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000816929000 586772235 /nfs/dbraw/zinc/77/22/35/586772235.db2.gz YNXMXDLEUVNGNL-RKDXNWHRSA-N 1 2 239.344 1.305 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000816970664 586775520 /nfs/dbraw/zinc/77/55/20/586775520.db2.gz GSGKMIDCGNSULT-GHMZBOCLSA-N 1 2 249.314 1.026 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC2(CCC2)C1 ZINC000816974644 586775673 /nfs/dbraw/zinc/77/56/73/586775673.db2.gz JTFFOJXAVKGROS-UHFFFAOYSA-N 1 2 219.288 1.355 20 0 BDADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000816971833 586775885 /nfs/dbraw/zinc/77/58/85/586775885.db2.gz RNTVODDMLDMQBR-VHSXEESVSA-N 1 2 221.304 1.599 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCC=CO1 ZINC000817085885 586781414 /nfs/dbraw/zinc/78/14/14/586781414.db2.gz GJLXBKOPAGKLBK-LBPRGKRZSA-N 1 2 248.282 1.399 20 0 BDADLO Cc1cc(CNC(=O)NOCC2CC2)cc(C)[nH+]1 ZINC000817784212 586828252 /nfs/dbraw/zinc/82/82/52/586828252.db2.gz OUMFQFXICCVUTP-UHFFFAOYSA-N 1 2 249.314 1.839 20 0 BDADLO Cc1cc(CNC(=O)N(C)CCF)cc(C)[nH+]1 ZINC000817786482 586828308 /nfs/dbraw/zinc/82/83/08/586828308.db2.gz WGEQMRWNGAKEAB-UHFFFAOYSA-N 1 2 239.294 1.809 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1cnn(C2CC2)c1 ZINC000859891987 589069025 /nfs/dbraw/zinc/06/90/25/589069025.db2.gz MDAHOJAQYYQNAX-UHFFFAOYSA-N 1 2 246.270 1.272 20 0 BDADLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000818344386 586887510 /nfs/dbraw/zinc/88/75/10/586887510.db2.gz MVEKXZUMQSRNEG-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO CC[NH2+]CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000818501220 586895979 /nfs/dbraw/zinc/89/59/79/586895979.db2.gz YKPFKFSWPZMWKC-UHFFFAOYSA-N 1 2 245.286 1.020 20 0 BDADLO COC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000818843347 586914332 /nfs/dbraw/zinc/91/43/32/586914332.db2.gz JJRRXKXKVNGOKC-UHFFFAOYSA-N 1 2 219.244 1.233 20 0 BDADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/[C@@H]1CCCO1 ZINC000819257920 586944437 /nfs/dbraw/zinc/94/44/37/586944437.db2.gz ZWTWPAFVZOHZAV-YEZKRMTDSA-N 1 2 235.287 1.103 20 0 BDADLO O=C(/C=C\[C@H]1CCCO1)N1CC(n2cc[nH+]c2)C1 ZINC000819283732 586947583 /nfs/dbraw/zinc/94/75/83/586947583.db2.gz IPTRTNFUCIGQBN-VSQXVHSFSA-N 1 2 247.298 1.002 20 0 BDADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccns2)[nH]1 ZINC000860060856 589077594 /nfs/dbraw/zinc/07/75/94/589077594.db2.gz BSQUYIRWZQCSMX-BQBZGAKWSA-N 1 2 237.332 1.981 20 0 BDADLO Cc1nnc(C[NH2+][C@@H](C)c2ccns2)[nH]1 ZINC000860062519 589078556 /nfs/dbraw/zinc/07/85/56/589078556.db2.gz XJRZHQOSNIQJQT-LURJTMIESA-N 1 2 223.305 1.420 20 0 BDADLO CC(C)COCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819763423 586990911 /nfs/dbraw/zinc/99/09/11/586990911.db2.gz CJFKXBZAVCDPNU-SECBINFHSA-N 1 2 244.360 1.657 20 0 BDADLO CC(C)COCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819763424 586991209 /nfs/dbraw/zinc/99/12/09/586991209.db2.gz CJFKXBZAVCDPNU-VIFPVBQESA-N 1 2 244.360 1.657 20 0 BDADLO CC(C)SCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819768071 586991531 /nfs/dbraw/zinc/99/15/31/586991531.db2.gz ISUFHXSRRGMWFT-ZETCQYMHSA-N 1 2 232.374 1.736 20 0 BDADLO C[C@H]1C[NH+]=C(NC(=O)C[C@@H]2C=CCC2)S1 ZINC000819766667 586991892 /nfs/dbraw/zinc/99/18/92/586991892.db2.gz HSWVQLGMGGLLAR-DTWKUNHWSA-N 1 2 224.329 1.950 20 0 BDADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000860087323 589079972 /nfs/dbraw/zinc/07/99/72/589079972.db2.gz DTIVETBEWTYOCA-VXGBXAGGSA-N 1 2 243.347 1.278 20 0 BDADLO CC(C)COC(=O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000860087323 589079974 /nfs/dbraw/zinc/07/99/74/589079974.db2.gz DTIVETBEWTYOCA-VXGBXAGGSA-N 1 2 243.347 1.278 20 0 BDADLO CC(C)(C)/C=C/C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000819967268 587008761 /nfs/dbraw/zinc/00/87/61/587008761.db2.gz DLLUTYUJCIPZPS-GQCTYLIASA-N 1 2 233.315 1.897 20 0 BDADLO CC(C)(C)/C=C/C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000819967268 587008764 /nfs/dbraw/zinc/00/87/64/587008764.db2.gz DLLUTYUJCIPZPS-GQCTYLIASA-N 1 2 233.315 1.897 20 0 BDADLO CC(C)C[C@H](C[NH2+][C@@H](C)CC(=O)[O-])[NH+](C)C ZINC000819966940 587008783 /nfs/dbraw/zinc/00/87/83/587008783.db2.gz IBGGAZRYVOQYRJ-WDEREUQCSA-N 1 2 230.352 1.416 20 0 BDADLO C[C@@H](CC(=O)OCc1c[nH+]cn1C)n1cccn1 ZINC000820161894 587030558 /nfs/dbraw/zinc/03/05/58/587030558.db2.gz JXQUTNVOWBNVNO-JTQLQIEISA-N 1 2 248.286 1.311 20 0 BDADLO Cc1[nH]c2ccc(NC(=O)[C@H](O)C3CC3)cc2[nH+]1 ZINC000820185841 587032774 /nfs/dbraw/zinc/03/27/74/587032774.db2.gz DYVTWCLFAHMCDV-GFCCVEGCSA-N 1 2 245.282 1.581 20 0 BDADLO Cc1[nH]c2cc(NC(=O)[C@H](O)C3CC3)ccc2[nH+]1 ZINC000820185841 587032776 /nfs/dbraw/zinc/03/27/76/587032776.db2.gz DYVTWCLFAHMCDV-GFCCVEGCSA-N 1 2 245.282 1.581 20 0 BDADLO Cc1cc(CCC(=O)N[C@H](C)c2[nH]cc[nH+]2)no1 ZINC000820191695 587033634 /nfs/dbraw/zinc/03/36/34/587033634.db2.gz MFRMASUGDXKVBJ-SECBINFHSA-N 1 2 248.286 1.516 20 0 BDADLO CC(C)C1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)COC1 ZINC000820191956 587033711 /nfs/dbraw/zinc/03/37/11/587033711.db2.gz UTQUCSLDQWNQCS-SECBINFHSA-N 1 2 237.303 1.260 20 0 BDADLO C[C@H](CC(=O)[O-])[NH2+]CC[NH+]1CCC(C)CC1 ZINC000820238756 587037594 /nfs/dbraw/zinc/03/75/94/587037594.db2.gz VVVFJRYXYNJQLV-LLVKDONJSA-N 1 2 228.336 1.171 20 0 BDADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246667 587038471 /nfs/dbraw/zinc/03/84/71/587038471.db2.gz ZXSYYJWFHDGHFX-JQWIXIFHSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246667 587038473 /nfs/dbraw/zinc/03/84/73/587038473.db2.gz ZXSYYJWFHDGHFX-JQWIXIFHSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246670 587038488 /nfs/dbraw/zinc/03/84/88/587038488.db2.gz ZXSYYJWFHDGHFX-ZYHUDNBSSA-N 1 2 240.347 1.314 20 0 BDADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000820246670 587038490 /nfs/dbraw/zinc/03/84/90/587038490.db2.gz ZXSYYJWFHDGHFX-ZYHUDNBSSA-N 1 2 240.347 1.314 20 0 BDADLO C/C(=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000820267993 587039273 /nfs/dbraw/zinc/03/92/73/587039273.db2.gz OIJMAJLYCNLCTM-FCZSHJHJSA-N 1 2 219.288 1.943 20 0 BDADLO CC(=CC(=O)N[C@H](C)c1[nH]cc[nH+]1)C1CC1 ZINC000820267993 587039275 /nfs/dbraw/zinc/03/92/75/587039275.db2.gz OIJMAJLYCNLCTM-FCZSHJHJSA-N 1 2 219.288 1.943 20 0 BDADLO C[C@H](F)CCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820631390 587060311 /nfs/dbraw/zinc/06/03/11/587060311.db2.gz PAMUZAWSJMRFIG-NWALNABHSA-N 1 2 225.267 1.298 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c32)C=CCC1 ZINC000820947450 587083608 /nfs/dbraw/zinc/08/36/08/587083608.db2.gz CSYKTAAHWQFFHP-ZWNOBZJWSA-N 1 2 231.299 1.800 20 0 BDADLO O=C(Nc1ccc(F)nc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821032969 587089365 /nfs/dbraw/zinc/08/93/65/587089365.db2.gz YKQZDPRSKQCLGZ-RKDXNWHRSA-N 1 2 246.245 1.686 20 0 BDADLO O=C(Nc1ccc(F)nc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821032969 587089367 /nfs/dbraw/zinc/08/93/67/587089367.db2.gz YKQZDPRSKQCLGZ-RKDXNWHRSA-N 1 2 246.245 1.686 20 0 BDADLO Cc1ccc2[nH+]cc(C[N@@H+](C)[C@H](C)C(=O)[O-])n2c1 ZINC000821107167 587096134 /nfs/dbraw/zinc/09/61/34/587096134.db2.gz MCAXSYVJPXVAQS-SNVBAGLBSA-N 1 2 247.298 1.548 20 0 BDADLO Cc1ccc2[nH+]cc(C[N@H+](C)[C@H](C)C(=O)[O-])n2c1 ZINC000821107167 587096136 /nfs/dbraw/zinc/09/61/36/587096136.db2.gz MCAXSYVJPXVAQS-SNVBAGLBSA-N 1 2 247.298 1.548 20 0 BDADLO CCC(F)(F)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000821221126 587102423 /nfs/dbraw/zinc/10/24/23/587102423.db2.gz GJHSGZUBKOCYFK-UHFFFAOYSA-N 1 2 234.290 1.584 20 0 BDADLO CC/C=C\CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000821307407 587106505 /nfs/dbraw/zinc/10/65/05/587106505.db2.gz FWDYXZQTTGIORK-RZSVFLSASA-N 1 2 219.288 1.516 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc[nH]1 ZINC000821384038 587114711 /nfs/dbraw/zinc/11/47/11/587114711.db2.gz LSYVAJCSRVVRAZ-IVZWLZJFSA-N 1 2 244.298 1.719 20 0 BDADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc[nH]1 ZINC000821384038 587114712 /nfs/dbraw/zinc/11/47/12/587114712.db2.gz LSYVAJCSRVVRAZ-IVZWLZJFSA-N 1 2 244.298 1.719 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C=CCC1 ZINC000822276313 587160592 /nfs/dbraw/zinc/16/05/92/587160592.db2.gz BJHOGMZSDUDVKM-SNVBAGLBSA-N 1 2 217.272 1.652 20 0 BDADLO CC[C@@H]1OCC[C@H]1NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822488209 587171520 /nfs/dbraw/zinc/17/15/20/587171520.db2.gz JODTUKSBGUAWSR-JYYSYOFASA-N 1 2 249.314 1.117 20 0 BDADLO CC/C(C)=C/C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000822523992 587173190 /nfs/dbraw/zinc/17/31/90/587173190.db2.gz STGFCOUQLIPUGM-LMMOQWNQSA-N 1 2 240.347 1.180 20 0 BDADLO FC(F)c1noc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000822791077 587185773 /nfs/dbraw/zinc/18/57/73/587185773.db2.gz OVLGECYFAQIMEH-NTSWFWBYSA-N 1 2 215.203 1.601 20 0 BDADLO FC(F)c1noc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000822791077 587185775 /nfs/dbraw/zinc/18/57/75/587185775.db2.gz OVLGECYFAQIMEH-NTSWFWBYSA-N 1 2 215.203 1.601 20 0 BDADLO CCn1ccnc1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822805241 587187270 /nfs/dbraw/zinc/18/72/70/587187270.db2.gz CJNOFMYDDQCKIA-SNAWJCMRSA-N 1 2 245.286 1.288 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000822952521 587195550 /nfs/dbraw/zinc/19/55/50/587195550.db2.gz STOAWWXIDASWPD-ZKQHCESOSA-N 1 2 240.347 1.180 20 0 BDADLO CC/C(C)=C/C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000822952521 587195551 /nfs/dbraw/zinc/19/55/51/587195551.db2.gz STOAWWXIDASWPD-ZKQHCESOSA-N 1 2 240.347 1.180 20 0 BDADLO CCC[C@H](O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823056852 587199910 /nfs/dbraw/zinc/19/99/10/587199910.db2.gz JHEBWGDOWTZQFN-LBPRGKRZSA-N 1 2 236.315 1.476 20 0 BDADLO CC1=NO[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000823178726 587206909 /nfs/dbraw/zinc/20/69/09/587206909.db2.gz UYVKZPKLJUSJPZ-JTQLQIEISA-N 1 2 248.286 1.251 20 0 BDADLO Cc1cn2ccc(C(=O)NOC3CCC3)cc2[nH+]1 ZINC000823303052 587215060 /nfs/dbraw/zinc/21/50/60/587215060.db2.gz WVFSMNZTDNTWEE-UHFFFAOYSA-N 1 2 245.282 1.857 20 0 BDADLO C[C@@H]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000823347214 587217353 /nfs/dbraw/zinc/21/73/53/587217353.db2.gz HDBSLDMQHFLLFK-GHMZBOCLSA-N 1 2 235.331 1.895 20 0 BDADLO OC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000823419144 587220628 /nfs/dbraw/zinc/22/06/28/587220628.db2.gz TUFDHBFDJMSBND-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO OC[C@@H]1CCC[N@H+]1Cc1ccnc(Cl)c1F ZINC000823419144 587220629 /nfs/dbraw/zinc/22/06/29/587220629.db2.gz TUFDHBFDJMSBND-VIFPVBQESA-N 1 2 244.697 1.831 20 0 BDADLO Cc1cccc(C[N@@H+]2CCCNC(=O)C2)c1F ZINC000823419319 587221422 /nfs/dbraw/zinc/22/14/22/587221422.db2.gz YLAQKXKJNOJWSV-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO Cc1cccc(C[N@H+]2CCCNC(=O)C2)c1F ZINC000823419319 587221423 /nfs/dbraw/zinc/22/14/23/587221423.db2.gz YLAQKXKJNOJWSV-UHFFFAOYSA-N 1 2 236.290 1.456 20 0 BDADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C=CCC1 ZINC000823628758 587233269 /nfs/dbraw/zinc/23/32/69/587233269.db2.gz ZJJBOBPKITXVOS-BXUZGUMPSA-N 1 2 245.326 1.670 20 0 BDADLO CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC=CC1 ZINC000823628600 587233293 /nfs/dbraw/zinc/23/32/93/587233293.db2.gz WWQJDJPKIRCDLI-NSHDSACASA-N 1 2 245.326 1.670 20 0 BDADLO CCON(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000823793074 587240540 /nfs/dbraw/zinc/24/05/40/587240540.db2.gz KDBGBIQYUBZTAL-MRVPVSSYSA-N 1 2 226.280 1.074 20 0 BDADLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@@H](F)C2)c1 ZINC000824145369 587258075 /nfs/dbraw/zinc/25/80/75/587258075.db2.gz FTMSKGYJNIBNRJ-ORAHPGNNSA-N 1 2 237.278 1.394 20 0 BDADLO C[N@H+](Cc1cc(F)ncc1F)C1CC(O)C1 ZINC000824167333 587258839 /nfs/dbraw/zinc/25/88/39/587258839.db2.gz MTZLCPFNJOHKIQ-UHFFFAOYSA-N 1 2 228.242 1.315 20 0 BDADLO C[N@@H+](Cc1cc(F)ncc1F)C1CC(O)C1 ZINC000824167333 587258841 /nfs/dbraw/zinc/25/88/41/587258841.db2.gz MTZLCPFNJOHKIQ-UHFFFAOYSA-N 1 2 228.242 1.315 20 0 BDADLO CCn1nc(C)c(C[N@H+](C)C(C)(C)COC)n1 ZINC000824428360 587270196 /nfs/dbraw/zinc/27/01/96/587270196.db2.gz RFFJUVNRHRGIGF-UHFFFAOYSA-N 1 2 240.351 1.463 20 0 BDADLO CCn1nc(C)c(C[N@@H+](C)C(C)(C)COC)n1 ZINC000824428360 587270197 /nfs/dbraw/zinc/27/01/97/587270197.db2.gz RFFJUVNRHRGIGF-UHFFFAOYSA-N 1 2 240.351 1.463 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC1(C)CC1 ZINC000824629809 587280261 /nfs/dbraw/zinc/28/02/61/587280261.db2.gz YIEWIHWDVDEQEW-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC1(C)CC1 ZINC000824629809 587280262 /nfs/dbraw/zinc/28/02/62/587280262.db2.gz YIEWIHWDVDEQEW-UHFFFAOYSA-N 1 2 221.304 1.948 20 0 BDADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC(C)=NO1 ZINC000824895327 587292753 /nfs/dbraw/zinc/29/27/53/587292753.db2.gz UNDRCKUPWZRAAL-SNVBAGLBSA-N 1 2 235.243 1.194 20 0 BDADLO CC(C(=O)NCCn1cc[nH+]c1)=C1CCC1 ZINC000825017171 587298850 /nfs/dbraw/zinc/29/88/50/587298850.db2.gz NJUJKBJKMTWKSL-UHFFFAOYSA-N 1 2 219.288 1.500 20 0 BDADLO CCO[C@H]1C[C@H](NC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000825039066 587299849 /nfs/dbraw/zinc/29/98/49/587299849.db2.gz JVDKGBGBEJOTJN-NWRVEDBNSA-N 1 2 249.314 1.117 20 0 BDADLO CC(C(=O)N[C@H](C)Cn1cc[nH+]c1)=C1CCC1 ZINC000825111125 587304874 /nfs/dbraw/zinc/30/48/74/587304874.db2.gz LFNPBYPEEMKRJL-SNVBAGLBSA-N 1 2 233.315 1.888 20 0 BDADLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H]1CCC=CO1 ZINC000825104437 587305121 /nfs/dbraw/zinc/30/51/21/587305121.db2.gz WYPYXIBCODRAEG-ZJUUUORDSA-N 1 2 235.274 1.627 20 0 BDADLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H]1CCC=CO1 ZINC000825104437 587305122 /nfs/dbraw/zinc/30/51/22/587305122.db2.gz WYPYXIBCODRAEG-ZJUUUORDSA-N 1 2 235.274 1.627 20 0 BDADLO CC[C@](C)(O)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000825409467 587318606 /nfs/dbraw/zinc/31/86/06/587318606.db2.gz JHPVASDAPLXTRH-ZDUSSCGKSA-N 1 2 247.298 1.742 20 0 BDADLO CC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825509980 587321825 /nfs/dbraw/zinc/32/18/25/587321825.db2.gz TUPMANKNAIATKU-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC(C)(CNC(=O)Cn1cc[nH+]c1)C(C)(F)F ZINC000825820093 587340570 /nfs/dbraw/zinc/34/05/70/587340570.db2.gz PHUBZETYZODVTI-UHFFFAOYSA-N 1 2 245.273 1.681 20 0 BDADLO Cc1nonc1CNCc1[nH+]ccn1C(C)C ZINC000825917068 587345261 /nfs/dbraw/zinc/34/52/61/587345261.db2.gz VZOZSCSEKAOZHC-UHFFFAOYSA-N 1 2 235.291 1.445 20 0 BDADLO CCCn1nccc1C[NH2+]Cc1nonc1C ZINC000825921839 587345537 /nfs/dbraw/zinc/34/55/37/587345537.db2.gz AXPMOULJUURAKP-UHFFFAOYSA-N 1 2 235.291 1.274 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C1CC1 ZINC000825963531 587347360 /nfs/dbraw/zinc/34/73/60/587347360.db2.gz LILMLOFAOFONPR-SNVBAGLBSA-N 1 2 219.288 1.353 20 0 BDADLO c1cc(C[NH+]2CC3(C2)CCOC3)n(CC2CC2)n1 ZINC000826023752 587348603 /nfs/dbraw/zinc/34/86/03/587348603.db2.gz FRJZPIQNSHENJT-UHFFFAOYSA-N 1 2 247.342 1.515 20 0 BDADLO Cc1cc[nH+]c(NC(C)C)c1-c1nn[nH]n1 ZINC000826312190 587352501 /nfs/dbraw/zinc/35/25/01/587352501.db2.gz XSXAPQABRFNTTK-UHFFFAOYSA-N 1 2 218.264 1.390 20 0 BDADLO CCOCC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826737528 587360769 /nfs/dbraw/zinc/36/07/69/587360769.db2.gz YHUOKPLACPZOAD-CYBMUJFWSA-N 1 2 248.326 1.326 20 0 BDADLO CCOCC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826737528 587360770 /nfs/dbraw/zinc/36/07/70/587360770.db2.gz YHUOKPLACPZOAD-CYBMUJFWSA-N 1 2 248.326 1.326 20 0 BDADLO CCC[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000827095568 587370043 /nfs/dbraw/zinc/37/00/43/587370043.db2.gz IUYINBYMIPMDIH-SNVBAGLBSA-N 1 2 247.298 1.225 20 0 BDADLO C/C=C\CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000827493615 587383291 /nfs/dbraw/zinc/38/32/91/587383291.db2.gz RQKRHDCFSFDYSA-OUPQRBNQSA-N 1 2 205.261 1.126 20 0 BDADLO Cc1c[nH]c(CNC(=O)CCc2cc(C)on2)[nH+]1 ZINC000827582421 587389691 /nfs/dbraw/zinc/38/96/91/587389691.db2.gz KLXOYRMZYXPYDF-UHFFFAOYSA-N 1 2 248.286 1.264 20 0 BDADLO Cc1cc([C@H]2CCC[N@@H+]2CC[S@@](C)=O)no1 ZINC000827720493 587399176 /nfs/dbraw/zinc/39/91/76/587399176.db2.gz YCNYJNWYTXYVRL-BDJLRTHQSA-N 1 2 242.344 1.498 20 0 BDADLO Cc1cc([C@H]2CCC[N@H+]2CC[S@@](C)=O)no1 ZINC000827720493 587399178 /nfs/dbraw/zinc/39/91/78/587399178.db2.gz YCNYJNWYTXYVRL-BDJLRTHQSA-N 1 2 242.344 1.498 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CC[S@@](C)=O)no1 ZINC000827720495 587399252 /nfs/dbraw/zinc/39/92/52/587399252.db2.gz YCNYJNWYTXYVRL-MEDUHNTESA-N 1 2 242.344 1.498 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CC[S@@](C)=O)no1 ZINC000827720495 587399254 /nfs/dbraw/zinc/39/92/54/587399254.db2.gz YCNYJNWYTXYVRL-MEDUHNTESA-N 1 2 242.344 1.498 20 0 BDADLO Cc1cc([C@@H]2CCC[N@@H+]2CC[S@](C)=O)no1 ZINC000827720496 587399411 /nfs/dbraw/zinc/39/94/11/587399411.db2.gz YCNYJNWYTXYVRL-ZBEGNZNMSA-N 1 2 242.344 1.498 20 0 BDADLO Cc1cc([C@@H]2CCC[N@H+]2CC[S@](C)=O)no1 ZINC000827720496 587399413 /nfs/dbraw/zinc/39/94/13/587399413.db2.gz YCNYJNWYTXYVRL-ZBEGNZNMSA-N 1 2 242.344 1.498 20 0 BDADLO CC(C)c1cc(CNC(=O)Cc2[nH]cc[nH+]2)on1 ZINC000827793003 587402548 /nfs/dbraw/zinc/40/25/48/587402548.db2.gz JNADVOVEKNBMTP-UHFFFAOYSA-N 1 2 248.286 1.380 20 0 BDADLO C[N@H+](CC[S@](C)=O)Cc1ccoc1 ZINC000827808415 587403885 /nfs/dbraw/zinc/40/38/85/587403885.db2.gz FQPJTMHXEJKIAB-ZDUSSCGKSA-N 1 2 201.291 1.090 20 0 BDADLO C[N@@H+](CC[S@](C)=O)Cc1ccoc1 ZINC000827808415 587403886 /nfs/dbraw/zinc/40/38/86/587403886.db2.gz FQPJTMHXEJKIAB-ZDUSSCGKSA-N 1 2 201.291 1.090 20 0 BDADLO CNC(=O)C[N@H+](C)Cc1cc(Cl)cs1 ZINC000827862676 587405862 /nfs/dbraw/zinc/40/58/62/587405862.db2.gz NGGBWSGWZSXDNV-UHFFFAOYSA-N 1 2 232.736 1.579 20 0 BDADLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)cs1 ZINC000827862676 587405863 /nfs/dbraw/zinc/40/58/63/587405863.db2.gz NGGBWSGWZSXDNV-UHFFFAOYSA-N 1 2 232.736 1.579 20 0 BDADLO CC(C)(C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000828443951 587442857 /nfs/dbraw/zinc/44/28/57/587442857.db2.gz RQVNRKMJYBFEHD-UHFFFAOYSA-N 1 2 223.320 1.895 20 0 BDADLO CC[C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000828890043 587469227 /nfs/dbraw/zinc/46/92/27/587469227.db2.gz ZBXIRXIHWVFIBU-ZJUUUORDSA-N 1 2 223.320 1.893 20 0 BDADLO Cl/C=C\C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829287556 587491477 /nfs/dbraw/zinc/49/14/77/587491477.db2.gz VLQADHRZSOTIRY-OODOAVRDSA-N 1 2 233.764 1.947 20 0 BDADLO CC(C)OC(=O)NCc1cn2ccccc2[nH+]1 ZINC000829742002 587512732 /nfs/dbraw/zinc/51/27/32/587512732.db2.gz GMOWHRFHVFRXEO-UHFFFAOYSA-N 1 2 233.271 1.969 20 0 BDADLO CCC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830009561 587532225 /nfs/dbraw/zinc/53/22/25/587532225.db2.gz CUQOSWPQJMVIQH-NSHDSACASA-N 1 2 235.331 1.991 20 0 BDADLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(C)n1 ZINC000830132009 587538320 /nfs/dbraw/zinc/53/83/20/587538320.db2.gz LYYBXPIVWOEYPE-UHFFFAOYSA-N 1 2 246.270 1.303 20 0 BDADLO O[C@@H](C[N@@H+]1CC[C@H](F)C1)c1cccc(F)c1 ZINC000830467167 587552249 /nfs/dbraw/zinc/55/22/49/587552249.db2.gz GGXGQZAEZHGBIO-RYUDHWBXSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@@H](C[N@H+]1CC[C@H](F)C1)c1cccc(F)c1 ZINC000830467167 587552251 /nfs/dbraw/zinc/55/22/51/587552251.db2.gz GGXGQZAEZHGBIO-RYUDHWBXSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@@H](C[N@@H+]1CC[C@@H](F)C1)c1cccc(F)c1 ZINC000830467165 587552277 /nfs/dbraw/zinc/55/22/77/587552277.db2.gz GGXGQZAEZHGBIO-NEPJUHHUSA-N 1 2 227.254 1.903 20 0 BDADLO O[C@@H](C[N@H+]1CC[C@@H](F)C1)c1cccc(F)c1 ZINC000830467165 587552279 /nfs/dbraw/zinc/55/22/79/587552279.db2.gz GGXGQZAEZHGBIO-NEPJUHHUSA-N 1 2 227.254 1.903 20 0 BDADLO CN(C)c1cc(C[N@@H+]2CC[C@H](F)C2)ccn1 ZINC000830479899 587553862 /nfs/dbraw/zinc/55/38/62/587553862.db2.gz LIJLEWKYIUVYKB-NSHDSACASA-N 1 2 223.295 1.691 20 0 BDADLO CN(C)c1cc(C[N@H+]2CC[C@H](F)C2)ccn1 ZINC000830479899 587553863 /nfs/dbraw/zinc/55/38/63/587553863.db2.gz LIJLEWKYIUVYKB-NSHDSACASA-N 1 2 223.295 1.691 20 0 BDADLO CC(C)C(NC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000830611131 587560199 /nfs/dbraw/zinc/56/01/99/587560199.db2.gz LPPUQOKFTROXMG-UHFFFAOYSA-N 1 2 223.320 1.749 20 0 BDADLO CCCCOC(=O)C[N@H+](C)CC(C)(C)CO ZINC000830690806 587564243 /nfs/dbraw/zinc/56/42/43/587564243.db2.gz PLXGHUHENMVRNN-UHFFFAOYSA-N 1 2 231.336 1.280 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000830690806 587564244 /nfs/dbraw/zinc/56/42/44/587564244.db2.gz PLXGHUHENMVRNN-UHFFFAOYSA-N 1 2 231.336 1.280 20 0 BDADLO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2=O)C12CCC2 ZINC000831308497 587597514 /nfs/dbraw/zinc/59/75/14/587597514.db2.gz NCOCWJAJJHDYMI-OUAUKWLOSA-N 1 2 239.315 1.239 20 0 BDADLO CCCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000831331841 587598955 /nfs/dbraw/zinc/59/89/55/587598955.db2.gz ARRWVBDUMDUVQZ-AXFHLTTASA-N 1 2 243.347 1.731 20 0 BDADLO CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC000831413349 587604514 /nfs/dbraw/zinc/60/45/14/587604514.db2.gz DIXIKCOXEGEDOJ-UHFFFAOYSA-N 1 2 237.303 1.028 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCC1CC=CC1 ZINC000831428355 587606481 /nfs/dbraw/zinc/60/64/81/587606481.db2.gz XJOPDYZZLDIGRT-UHFFFAOYSA-N 1 2 219.288 1.425 20 0 BDADLO CCC(=O)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831453989 587608652 /nfs/dbraw/zinc/60/86/52/587608652.db2.gz MDLLWLPMISWHLF-JTQLQIEISA-N 1 2 249.314 1.312 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)NCCCc1cccs1 ZINC000831566930 587619400 /nfs/dbraw/zinc/61/94/00/587619400.db2.gz VVMOHGOFNREDKM-UHFFFAOYSA-N 1 2 249.339 1.763 20 0 BDADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC12CCC2 ZINC000831612379 587623616 /nfs/dbraw/zinc/62/36/16/587623616.db2.gz MKEMQCNCJJDLKC-LLVKDONJSA-N 1 2 247.342 1.991 20 0 BDADLO CC1(C)CC[N@H+](C/C=C/Cl)CC[S@]1=O ZINC000832016169 587642498 /nfs/dbraw/zinc/64/24/98/587642498.db2.gz KWTZFCYWJDEGFE-LYKUJDHUSA-N 1 2 235.780 1.972 20 0 BDADLO CC1(C)CC[N@@H+](C/C=C/Cl)CC[S@]1=O ZINC000832016169 587642500 /nfs/dbraw/zinc/64/25/00/587642500.db2.gz KWTZFCYWJDEGFE-LYKUJDHUSA-N 1 2 235.780 1.972 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@@H+]1C/C(Cl)=C/Cl ZINC000832219744 587651199 /nfs/dbraw/zinc/65/11/99/587651199.db2.gz ITPDYLTYXBIIQE-GLVSWVFDSA-N 1 2 210.104 1.761 20 0 BDADLO C[C@@H]1[C@H](O)CC[N@H+]1C/C(Cl)=C/Cl ZINC000832219744 587651200 /nfs/dbraw/zinc/65/12/00/587651200.db2.gz ITPDYLTYXBIIQE-GLVSWVFDSA-N 1 2 210.104 1.761 20 0 BDADLO C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCO1 ZINC000832464662 587661707 /nfs/dbraw/zinc/66/17/07/587661707.db2.gz QNXWFKOHNZEAPC-LBPRGKRZSA-N 1 2 237.303 1.028 20 0 BDADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ncccc1F ZINC000834748725 587765595 /nfs/dbraw/zinc/76/55/95/587765595.db2.gz ANJYXRBLRWKVMK-MRVPVSSYSA-N 1 2 248.261 1.364 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835370562 587798612 /nfs/dbraw/zinc/79/86/12/587798612.db2.gz HMSNRBCCMOSRPU-OUAUKWLOSA-N 1 2 229.295 1.620 20 0 BDADLO CC[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835370562 587798613 /nfs/dbraw/zinc/79/86/13/587798613.db2.gz HMSNRBCCMOSRPU-OUAUKWLOSA-N 1 2 229.295 1.620 20 0 BDADLO CCC[C@H](OC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835370376 587798696 /nfs/dbraw/zinc/79/86/96/587798696.db2.gz FYBSAJHETBAHOT-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO CCC[C@H](OC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835370376 587798697 /nfs/dbraw/zinc/79/86/97/587798697.db2.gz FYBSAJHETBAHOT-QWRGUYRKSA-N 1 2 247.310 1.389 20 0 BDADLO Cc1cc(C)c(CNC(=O)C(C)(F)F)c[nH+]1 ZINC000836241808 587829449 /nfs/dbraw/zinc/82/94/49/587829449.db2.gz HZCGDYNPFCJHJT-UHFFFAOYSA-N 1 2 228.242 1.970 20 0 BDADLO CC1(C)C[C@@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836298940 587830060 /nfs/dbraw/zinc/83/00/60/587830060.db2.gz MFJDYRSJENYHAU-ZJUUUORDSA-N 1 2 248.330 1.673 20 0 BDADLO COc1cc[nH+]cc1CNC(=O)NOC(C)C ZINC000836471554 587833912 /nfs/dbraw/zinc/83/39/12/587833912.db2.gz RHYJJTYAMXGFIH-UHFFFAOYSA-N 1 2 239.275 1.229 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)NOCCC1CC1 ZINC000836484510 587834311 /nfs/dbraw/zinc/83/43/11/587834311.db2.gz VPVJXNBFGXQERN-UHFFFAOYSA-N 1 2 235.287 1.665 20 0 BDADLO CC[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836515591 587834512 /nfs/dbraw/zinc/83/45/12/587834512.db2.gz CZEXSYMQYKUVAD-GHMZBOCLSA-N 1 2 248.330 1.769 20 0 BDADLO CCC/C(C)=C/C(=O)NCCc1cn(C)c[nH+]1 ZINC000837717119 587892053 /nfs/dbraw/zinc/89/20/53/587892053.db2.gz KGBLYZISIQVRII-DHZHZOJOSA-N 1 2 235.331 1.825 20 0 BDADLO CCO/C=C/C(=O)OCc1cc[nH+]c(N)c1 ZINC000840588551 587913166 /nfs/dbraw/zinc/91/31/66/587913166.db2.gz NMIWMXOCWIGWDN-GQCTYLIASA-N 1 2 222.244 1.257 20 0 BDADLO CCCNC(=S)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000840809778 587922688 /nfs/dbraw/zinc/92/26/88/587922688.db2.gz JBBGEQQHIVHUAB-BDAKNGLRSA-N 1 2 238.360 1.763 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)n(C)n1 ZINC000841870180 587979515 /nfs/dbraw/zinc/97/95/15/587979515.db2.gz WYKYLNDAOPKXNQ-CABZTGNLSA-N 1 2 225.311 1.908 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)n(C)n1 ZINC000841870180 587979516 /nfs/dbraw/zinc/97/95/16/587979516.db2.gz WYKYLNDAOPKXNQ-CABZTGNLSA-N 1 2 225.311 1.908 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCCC1(OC)CCC1 ZINC000842037430 587992172 /nfs/dbraw/zinc/99/21/72/587992172.db2.gz ZSJNOLZBNFCRGU-SECBINFHSA-N 1 2 230.308 1.479 20 0 BDADLO CO[C@H](C)C(N)=[NH+]OCC1(OC)CCC1 ZINC000842037262 587992177 /nfs/dbraw/zinc/99/21/77/587992177.db2.gz VCWDQXBKIVMKFL-MRVPVSSYSA-N 1 2 216.281 1.089 20 0 BDADLO CC[C@@H](COC(=O)c1ccc2[nH+]ccn2c1)OC ZINC000842075826 587996275 /nfs/dbraw/zinc/99/62/75/587996275.db2.gz WBAPGLBCINDRTF-NSHDSACASA-N 1 2 248.282 1.916 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000842162981 588005289 /nfs/dbraw/zinc/00/52/89/588005289.db2.gz DCLUGSRMYNDPOJ-BIIVOSGPSA-N 1 2 221.247 1.571 20 0 BDADLO CC(C)CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842660255 588050737 /nfs/dbraw/zinc/05/07/37/588050737.db2.gz HUMZHKHCDZDXEF-JTQLQIEISA-N 1 2 230.308 1.194 20 0 BDADLO CCCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842890996 588070906 /nfs/dbraw/zinc/07/09/06/588070906.db2.gz PGPLIDVHLFVMQK-UHFFFAOYSA-N 1 2 234.299 1.861 20 0 BDADLO COC[C@H](C)OC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000867317871 588079240 /nfs/dbraw/zinc/07/92/40/588079240.db2.gz VVGXUEINAPTPFP-IUCAKERBSA-N 1 2 239.275 1.089 20 0 BDADLO CC[NH2+]Cc1noc([C@@H](C)c2ccnn2C)n1 ZINC000843142206 588086145 /nfs/dbraw/zinc/08/61/45/588086145.db2.gz CIIMPFFPQRDIFW-QMMMGPOBSA-N 1 2 235.291 1.064 20 0 BDADLO O=C(N1CC(Oc2cc[nH+]cc2)C1)C1(F)CC1 ZINC000843786990 588140416 /nfs/dbraw/zinc/14/04/16/588140416.db2.gz KCCKCWQIQXBZRQ-UHFFFAOYSA-N 1 2 236.246 1.173 20 0 BDADLO Cc1cccn2cc(CNC(=O)C3(F)CC3)[nH+]c12 ZINC000843792282 588140846 /nfs/dbraw/zinc/14/08/46/588140846.db2.gz PZYPSTQBJKIQLL-UHFFFAOYSA-N 1 2 247.273 1.761 20 0 BDADLO C[C@H](CNC(=O)C1(F)CC1)Cn1cc[nH+]c1 ZINC000843803699 588141679 /nfs/dbraw/zinc/14/16/79/588141679.db2.gz AVGRDRNWFMLSRY-SECBINFHSA-N 1 2 225.267 1.138 20 0 BDADLO O=C([C@H]1CCC(=O)C1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000843845954 588144594 /nfs/dbraw/zinc/14/45/94/588144594.db2.gz MZZWOBGKWCSOQL-GXSJLCMTSA-N 1 2 247.298 1.442 20 0 BDADLO COC[C@H]1C[C@@H](O)C[N@@H+]1C/C(Cl)=C/Cl ZINC000844404431 588189984 /nfs/dbraw/zinc/18/99/84/588189984.db2.gz PFCMOPFGGYRLQK-ALCBPQMDSA-N 1 2 240.130 1.387 20 0 BDADLO COC[C@H]1C[C@@H](O)C[N@H+]1C/C(Cl)=C/Cl ZINC000844404431 588189985 /nfs/dbraw/zinc/18/99/85/588189985.db2.gz PFCMOPFGGYRLQK-ALCBPQMDSA-N 1 2 240.130 1.387 20 0 BDADLO O=c1[nH]nc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)[nH]1 ZINC000844440034 588193967 /nfs/dbraw/zinc/19/39/67/588193967.db2.gz KVNMQZDMUQJVQI-VIFPVBQESA-N 1 2 244.245 1.132 20 0 BDADLO O=c1[nH]nc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)[nH]1 ZINC000844440034 588193968 /nfs/dbraw/zinc/19/39/68/588193968.db2.gz KVNMQZDMUQJVQI-VIFPVBQESA-N 1 2 244.245 1.132 20 0 BDADLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)no1 ZINC000844450357 588194977 /nfs/dbraw/zinc/19/49/77/588194977.db2.gz IMJBYGONUIMHFO-DTORHVGOSA-N 1 2 214.215 1.680 20 0 BDADLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)no1 ZINC000844450357 588194978 /nfs/dbraw/zinc/19/49/78/588194978.db2.gz IMJBYGONUIMHFO-DTORHVGOSA-N 1 2 214.215 1.680 20 0 BDADLO CC(C)n1ncnc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844462298 588196905 /nfs/dbraw/zinc/19/69/05/588196905.db2.gz MZUOLAMIRUTBMI-DTORHVGOSA-N 1 2 242.273 1.556 20 0 BDADLO CC(C)n1ncnc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844462298 588196906 /nfs/dbraw/zinc/19/69/06/588196906.db2.gz MZUOLAMIRUTBMI-DTORHVGOSA-N 1 2 242.273 1.556 20 0 BDADLO COCC(C)=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000844465103 588197580 /nfs/dbraw/zinc/19/75/80/588197580.db2.gz QDZSHDHUJLEDIY-UITAMQMPSA-N 1 2 234.299 1.652 20 0 BDADLO Cc1cc(COC(=O)C[C@@H](C)n2cc[nH+]c2)no1 ZINC000844583731 588204798 /nfs/dbraw/zinc/20/47/98/588204798.db2.gz GUKLWTQFCSPAHP-SECBINFHSA-N 1 2 249.270 1.874 20 0 BDADLO COC/C(C)=C/C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000844587066 588205113 /nfs/dbraw/zinc/20/51/13/588205113.db2.gz XEKUTNXDYXHQPR-BJMVGYQFSA-N 1 2 248.326 1.907 20 0 BDADLO COC/C(C)=C\C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000844587067 588205267 /nfs/dbraw/zinc/20/52/67/588205267.db2.gz XEKUTNXDYXHQPR-YHYXMXQVSA-N 1 2 248.326 1.907 20 0 BDADLO C[C@@H]1CCN(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844759321 588216151 /nfs/dbraw/zinc/21/61/51/588216151.db2.gz WYKIROHXVNNOIW-HLTSFMKQSA-N 1 2 230.258 1.009 20 0 BDADLO C[C@@H]1CCN(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844759321 588216152 /nfs/dbraw/zinc/21/61/52/588216152.db2.gz WYKIROHXVNNOIW-HLTSFMKQSA-N 1 2 230.258 1.009 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N1CCC12CCCC2 ZINC000845200952 588223567 /nfs/dbraw/zinc/22/35/67/588223567.db2.gz JWSDJMRFSKWYSK-UHFFFAOYSA-N 1 2 248.330 1.648 20 0 BDADLO C[C@@H](CC(=O)OCCC1(O)CC1)n1cc[nH+]c1 ZINC000845283439 588225691 /nfs/dbraw/zinc/22/56/91/588225691.db2.gz CGZDSAQEKTWZFJ-JTQLQIEISA-N 1 2 238.287 1.292 20 0 BDADLO CO[C@H](C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283621 588225695 /nfs/dbraw/zinc/22/56/95/588225695.db2.gz FJNOSSPFJBOOCD-NXEZZACHSA-N 1 2 226.276 1.412 20 0 BDADLO CO[C@H](C)CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845478268 588229844 /nfs/dbraw/zinc/22/98/44/588229844.db2.gz ZPABADPFEKRADY-GHMZBOCLSA-N 1 2 240.303 1.802 20 0 BDADLO C[C@H](CC(=O)N(C)c1cn[nH]c1)n1cc[nH+]c1 ZINC000845687683 588241009 /nfs/dbraw/zinc/24/10/09/588241009.db2.gz QSRATOBKYARDAH-SECBINFHSA-N 1 2 233.275 1.220 20 0 BDADLO COC/C(C)=C/C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000845910313 588250165 /nfs/dbraw/zinc/25/01/65/588250165.db2.gz LCMWPKWUCJDDBQ-RJCSOLBVSA-N 1 2 249.314 1.666 20 0 BDADLO C[C@H](CC(=O)NOC1CCCC1)n1cc[nH+]c1 ZINC000845916298 588250635 /nfs/dbraw/zinc/25/06/35/588250635.db2.gz XBIUWLKQMMMDLW-SNVBAGLBSA-N 1 2 237.303 1.825 20 0 BDADLO CCN(C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846246375 588262476 /nfs/dbraw/zinc/26/24/76/588262476.db2.gz HDUHMIMVMMDCEA-UHFFFAOYSA-N 1 2 210.281 1.306 20 0 BDADLO O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H](F)C1 ZINC000846631591 588280227 /nfs/dbraw/zinc/28/02/27/588280227.db2.gz SYIXSLDDCUGLAK-SNVBAGLBSA-N 1 2 247.273 1.908 20 0 BDADLO CC[N@H+](Cc1nnn(C(C)(C)C)n1)C(C)C ZINC000846778101 588287566 /nfs/dbraw/zinc/28/75/66/588287566.db2.gz QJQJQXUEIHIBOK-UHFFFAOYSA-N 1 2 225.340 1.658 20 0 BDADLO CC[N@@H+](Cc1nnn(C(C)(C)C)n1)C(C)C ZINC000846778101 588287567 /nfs/dbraw/zinc/28/75/67/588287567.db2.gz QJQJQXUEIHIBOK-UHFFFAOYSA-N 1 2 225.340 1.658 20 0 BDADLO CCn1ncc(CNc2cc3cc[nH]c3c[nH+]2)n1 ZINC000846777922 588287592 /nfs/dbraw/zinc/28/75/92/588287592.db2.gz VBOSIMDGNOZFMZ-UHFFFAOYSA-N 1 2 242.286 1.786 20 0 BDADLO c1nsnc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000846806973 588288333 /nfs/dbraw/zinc/28/83/33/588288333.db2.gz KBRWVELYRCJFPA-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO c1nsnc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000846806973 588288334 /nfs/dbraw/zinc/28/83/34/588288334.db2.gz KBRWVELYRCJFPA-UHFFFAOYSA-N 1 2 239.344 1.541 20 0 BDADLO c1cnn(C2CC[NH+](Cc3cnsn3)CC2)c1 ZINC000846803287 588289145 /nfs/dbraw/zinc/28/91/45/588289145.db2.gz NHGNITISOHESDI-UHFFFAOYSA-N 1 2 249.343 1.572 20 0 BDADLO CC(=O)c1cc(C[N@H+]2CCOC[C@H](C)C2)on1 ZINC000846835672 588291677 /nfs/dbraw/zinc/29/16/77/588291677.db2.gz ZAOXOSCIXTYRGA-SECBINFHSA-N 1 2 238.287 1.346 20 0 BDADLO CC(=O)c1cc(C[N@@H+]2CCOC[C@H](C)C2)on1 ZINC000846835672 588291678 /nfs/dbraw/zinc/29/16/78/588291678.db2.gz ZAOXOSCIXTYRGA-SECBINFHSA-N 1 2 238.287 1.346 20 0 BDADLO c1nsnc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000846889929 588295526 /nfs/dbraw/zinc/29/55/26/588295526.db2.gz RENSGXZIKQJOFD-JTQLQIEISA-N 1 2 246.339 1.923 20 0 BDADLO c1nsnc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000846889929 588295527 /nfs/dbraw/zinc/29/55/27/588295527.db2.gz RENSGXZIKQJOFD-JTQLQIEISA-N 1 2 246.339 1.923 20 0 BDADLO c1nsnc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000846962427 588298730 /nfs/dbraw/zinc/29/87/30/588298730.db2.gz ZXCJDZZJMRRDDA-JTQLQIEISA-N 1 2 241.385 1.866 20 0 BDADLO c1nsnc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000846962427 588298731 /nfs/dbraw/zinc/29/87/31/588298731.db2.gz ZXCJDZZJMRRDDA-JTQLQIEISA-N 1 2 241.385 1.866 20 0 BDADLO CON1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000846972876 588299103 /nfs/dbraw/zinc/29/91/03/588299103.db2.gz TUWYWNKEYCTQBB-UHFFFAOYSA-N 1 2 242.269 1.644 20 0 BDADLO CCc1ccc(C[NH+]2CCN(OC)CC2)nc1 ZINC000846971014 588299247 /nfs/dbraw/zinc/29/92/47/588299247.db2.gz IHTNXYLROLWCPV-UHFFFAOYSA-N 1 2 235.331 1.323 20 0 BDADLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847038826 588304617 /nfs/dbraw/zinc/30/46/17/588304617.db2.gz WPVFTLRLEGBBFW-NEPJUHHUSA-N 1 2 239.315 1.335 20 0 BDADLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847038826 588304618 /nfs/dbraw/zinc/30/46/18/588304618.db2.gz WPVFTLRLEGBBFW-NEPJUHHUSA-N 1 2 239.315 1.335 20 0 BDADLO Cc1ccccc1OCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000106934362 588316582 /nfs/dbraw/zinc/31/65/82/588316582.db2.gz CIACZCXQKGCHHQ-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO Cc1ccccc1OCC[N@H+]1CCNC(=O)[C@H]1C ZINC000106934362 588316584 /nfs/dbraw/zinc/31/65/84/588316584.db2.gz CIACZCXQKGCHHQ-GFCCVEGCSA-N 1 2 248.326 1.194 20 0 BDADLO CCCCOC(=O)C[N@H+](C)[C@@H]1CCOC1 ZINC000106936785 588316729 /nfs/dbraw/zinc/31/67/29/588316729.db2.gz CBTPYOYFKXAAQJ-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO CCCCOC(=O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000106936785 588316730 /nfs/dbraw/zinc/31/67/30/588316730.db2.gz CBTPYOYFKXAAQJ-SNVBAGLBSA-N 1 2 215.293 1.050 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NN1CCCCC1 ZINC000847617738 588318975 /nfs/dbraw/zinc/31/89/75/588318975.db2.gz YPXSLQCMMNTCAD-SNVBAGLBSA-N 1 2 236.319 1.105 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NN1CCCCC1 ZINC000847617738 588318976 /nfs/dbraw/zinc/31/89/76/588318976.db2.gz YPXSLQCMMNTCAD-SNVBAGLBSA-N 1 2 236.319 1.105 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000847844769 588336863 /nfs/dbraw/zinc/33/68/63/588336863.db2.gz BEPLOJCTQVQEJY-MXWKQRLJSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000847844769 588336865 /nfs/dbraw/zinc/33/68/65/588336865.db2.gz BEPLOJCTQVQEJY-MXWKQRLJSA-N 1 2 235.331 1.893 20 0 BDADLO Cc1c[nH+]ccc1NC(=O)/C=C/c1cnn(C)c1 ZINC000107287550 588346225 /nfs/dbraw/zinc/34/62/25/588346225.db2.gz WBQNUUMRUPRYQC-ONEGZZNKSA-N 1 2 242.282 1.775 20 0 BDADLO CO[C@@H](C)C(N)=[NH+]OCc1coc(C)n1 ZINC000848510695 588388142 /nfs/dbraw/zinc/38/81/42/588388142.db2.gz UYXGTZHMHGXDIF-LURJTMIESA-N 1 2 213.237 1.016 20 0 BDADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cnsn1 ZINC000848722620 588408595 /nfs/dbraw/zinc/40/85/95/588408595.db2.gz WJTUORVHFPNQJV-VIFPVBQESA-N 1 2 241.316 1.066 20 0 BDADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cnsn1 ZINC000848722620 588408596 /nfs/dbraw/zinc/40/85/96/588408596.db2.gz WJTUORVHFPNQJV-VIFPVBQESA-N 1 2 241.316 1.066 20 0 BDADLO CC(=O)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780631 588413590 /nfs/dbraw/zinc/41/35/90/588413590.db2.gz NESMRPBZWWDAKQ-UHFFFAOYSA-N 1 2 232.239 1.389 20 0 BDADLO Cc1c[nH+]c2cc(C(=O)OC[C@H](C)O)ccn12 ZINC000848782670 588413827 /nfs/dbraw/zinc/41/38/27/588413827.db2.gz MJGWNNMCYRAQJZ-VIFPVBQESA-N 1 2 234.255 1.180 20 0 BDADLO CO[C@@H]1CC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000848887285 588416953 /nfs/dbraw/zinc/41/69/53/588416953.db2.gz SCYJEVAOJYXIKU-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO CO[C@@H]1CC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000848887285 588416954 /nfs/dbraw/zinc/41/69/54/588416954.db2.gz SCYJEVAOJYXIKU-SECBINFHSA-N 1 2 229.711 1.294 20 0 BDADLO CNc1[nH+]c(C)ccc1C(=O)OCC[C@H](C)O ZINC000849690593 588486618 /nfs/dbraw/zinc/48/66/18/588486618.db2.gz JBMHMUNUGCAFPN-VIFPVBQESA-N 1 2 238.287 1.359 20 0 BDADLO Cc1c[nH]c(CNc2ccc(OCCO)cc2)[nH+]1 ZINC000850216282 588529828 /nfs/dbraw/zinc/52/98/28/588529828.db2.gz RLVFVIJXYOGFJQ-UHFFFAOYSA-N 1 2 247.298 1.701 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1CC2(CC2)C1 ZINC000850216173 588529867 /nfs/dbraw/zinc/52/98/67/588529867.db2.gz YJAGIKYAOOIGOF-UHFFFAOYSA-N 1 2 220.272 1.617 20 0 BDADLO O[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)c2ccccc21 ZINC000850372361 588541414 /nfs/dbraw/zinc/54/14/14/588541414.db2.gz TYKACBSNWPCUTK-CHWSQXEVSA-N 1 2 229.283 1.678 20 0 BDADLO O[C@@H]1C[C@H]([NH2+]Cc2cocn2)c2ccccc21 ZINC000850374174 588541494 /nfs/dbraw/zinc/54/14/94/588541494.db2.gz KPHXZEXJWLVISR-QWHCGFSZSA-N 1 2 230.267 1.943 20 0 BDADLO Cc1cc(C[N@H+](C)CCOC(F)F)no1 ZINC000851726917 588616092 /nfs/dbraw/zinc/61/60/92/588616092.db2.gz YGPVLTFPKHBVDQ-UHFFFAOYSA-N 1 2 220.219 1.654 20 0 BDADLO Cc1cc(C[N@@H+](C)CCOC(F)F)no1 ZINC000851726917 588616093 /nfs/dbraw/zinc/61/60/93/588616093.db2.gz YGPVLTFPKHBVDQ-UHFFFAOYSA-N 1 2 220.219 1.654 20 0 BDADLO C[N@H+](CCCOc1ccccc1)Cc1cnon1 ZINC000851716129 588616169 /nfs/dbraw/zinc/61/61/69/588616169.db2.gz IKHQISCXASIBEN-UHFFFAOYSA-N 1 2 247.298 1.971 20 0 BDADLO C[N@@H+](CCCOc1ccccc1)Cc1cnon1 ZINC000851716129 588616170 /nfs/dbraw/zinc/61/61/70/588616170.db2.gz IKHQISCXASIBEN-UHFFFAOYSA-N 1 2 247.298 1.971 20 0 BDADLO C[C@@H]1C[N@H+](Cc2cccc(F)n2)[C@H](C)CO1 ZINC000851716672 588616222 /nfs/dbraw/zinc/61/62/22/588616222.db2.gz PJBZUGPEDLTENC-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2cccc(F)n2)[C@H](C)CO1 ZINC000851716672 588616223 /nfs/dbraw/zinc/61/62/23/588616223.db2.gz PJBZUGPEDLTENC-NXEZZACHSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(F)n1 ZINC000851716677 588616450 /nfs/dbraw/zinc/61/64/50/588616450.db2.gz PJBZUGPEDLTENC-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(F)n1 ZINC000851716677 588616451 /nfs/dbraw/zinc/61/64/51/588616451.db2.gz PJBZUGPEDLTENC-ZJUUUORDSA-N 1 2 224.279 1.830 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2cccc(F)n2)CCO1 ZINC000851725885 588617867 /nfs/dbraw/zinc/61/78/67/588617867.db2.gz HSFNHVHOZHKGGL-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2cccc(F)n2)CCO1 ZINC000851725885 588617868 /nfs/dbraw/zinc/61/78/68/588617868.db2.gz HSFNHVHOZHKGGL-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO Cc1cc(C[N@H+](C)C[C@@H](O)c2ccccn2)no1 ZINC000851725608 588618085 /nfs/dbraw/zinc/61/80/85/588618085.db2.gz BZOITDVTQHHKMI-CYBMUJFWSA-N 1 2 247.298 1.543 20 0 BDADLO Cc1cc(C[N@@H+](C)C[C@@H](O)c2ccccn2)no1 ZINC000851725608 588618086 /nfs/dbraw/zinc/61/80/86/588618086.db2.gz BZOITDVTQHHKMI-CYBMUJFWSA-N 1 2 247.298 1.543 20 0 BDADLO CC[C@@H]1C[N@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851726281 588618245 /nfs/dbraw/zinc/61/82/45/588618245.db2.gz NIHALISGTVALCT-YPMHNXCESA-N 1 2 236.315 1.226 20 0 BDADLO CC[C@@H]1C[N@@H+](C[C@H](O)c2ccccn2)CCO1 ZINC000851726281 588618246 /nfs/dbraw/zinc/61/82/46/588618246.db2.gz NIHALISGTVALCT-YPMHNXCESA-N 1 2 236.315 1.226 20 0 BDADLO CC[N@@H+](Cc1cnon1)C[C@@H]1CCCO1 ZINC000851739465 588621003 /nfs/dbraw/zinc/62/10/03/588621003.db2.gz BMPMEWGWMLIKQO-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO CC[N@H+](Cc1cnon1)C[C@@H]1CCCO1 ZINC000851739465 588621004 /nfs/dbraw/zinc/62/10/04/588621004.db2.gz BMPMEWGWMLIKQO-JTQLQIEISA-N 1 2 211.265 1.071 20 0 BDADLO C[C@@](CO)([NH2+]Cc1cnon1)c1ccccc1 ZINC000851764332 588624443 /nfs/dbraw/zinc/62/44/43/588624443.db2.gz JUAJEAUWLFWHIM-LBPRGKRZSA-N 1 2 233.271 1.067 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(F)n1 ZINC000851775236 588626304 /nfs/dbraw/zinc/62/63/04/588626304.db2.gz QSEXSKDIEZUWAR-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(F)n1 ZINC000851775236 588626305 /nfs/dbraw/zinc/62/63/05/588626305.db2.gz QSEXSKDIEZUWAR-LLVKDONJSA-N 1 2 224.279 1.832 20 0 BDADLO C[N@@H+](Cc1ccon1)C[C@@H](O)c1ccccn1 ZINC000851781233 588627301 /nfs/dbraw/zinc/62/73/01/588627301.db2.gz RGEXUZYOZILYFB-GFCCVEGCSA-N 1 2 233.271 1.235 20 0 BDADLO C[N@H+](Cc1ccon1)C[C@@H](O)c1ccccn1 ZINC000851781233 588627302 /nfs/dbraw/zinc/62/73/02/588627302.db2.gz RGEXUZYOZILYFB-GFCCVEGCSA-N 1 2 233.271 1.235 20 0 BDADLO CC(C)CS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000851856147 588635254 /nfs/dbraw/zinc/63/52/54/588635254.db2.gz JHLKHOJSQSZCLD-VIFPVBQESA-N 1 2 245.348 1.057 20 0 BDADLO O[C@H](C[NH+]1CC(C(F)(F)F)C1)c1ccccn1 ZINC000851857107 588635354 /nfs/dbraw/zinc/63/53/54/588635354.db2.gz MCGQWSLPFJSVEQ-SNVBAGLBSA-N 1 2 246.232 1.609 20 0 BDADLO CCCCOC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000851876056 588638342 /nfs/dbraw/zinc/63/83/42/588638342.db2.gz WMYRZITZQCMCGT-JTQLQIEISA-N 1 2 239.319 1.573 20 0 BDADLO COC(CC[N@@H+]1CCC[C@H]1C(F)F)OC ZINC000851879565 588638908 /nfs/dbraw/zinc/63/89/08/588638908.db2.gz KUENYTWYFVYEEH-QMMMGPOBSA-N 1 2 223.263 1.725 20 0 BDADLO COC(CC[N@H+]1CCC[C@H]1C(F)F)OC ZINC000851879565 588638909 /nfs/dbraw/zinc/63/89/09/588638909.db2.gz KUENYTWYFVYEEH-QMMMGPOBSA-N 1 2 223.263 1.725 20 0 BDADLO OC[C@H]1CSCC[N@@H+]1Cc1cccc(F)n1 ZINC000851883701 588639669 /nfs/dbraw/zinc/63/96/69/588639669.db2.gz IHSLRZFWQFUEFQ-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO OC[C@H]1CSCC[N@H+]1Cc1cccc(F)n1 ZINC000851883701 588639670 /nfs/dbraw/zinc/63/96/70/588639670.db2.gz IHSLRZFWQFUEFQ-JTQLQIEISA-N 1 2 242.319 1.130 20 0 BDADLO c1c[nH+]c([C@H]2CCCN2Cc2cnon2)[nH]1 ZINC000851887484 588640302 /nfs/dbraw/zinc/64/03/02/588640302.db2.gz QNMXMLYDAMVAAA-SECBINFHSA-N 1 2 219.248 1.130 20 0 BDADLO CC1(C)OC[C@@H](C[N@@H+]2CCC=C(F)C2)O1 ZINC000851889561 588641101 /nfs/dbraw/zinc/64/11/01/588641101.db2.gz BKVLIPVVZMXYTP-SNVBAGLBSA-N 1 2 215.268 1.697 20 0 BDADLO CC1(C)OC[C@@H](C[N@H+]2CCC=C(F)C2)O1 ZINC000851889561 588641102 /nfs/dbraw/zinc/64/11/02/588641102.db2.gz BKVLIPVVZMXYTP-SNVBAGLBSA-N 1 2 215.268 1.697 20 0 BDADLO CCn1ncc(C[NH2+][C@H](C)c2ccncc2)n1 ZINC000851891983 588641583 /nfs/dbraw/zinc/64/15/83/588641583.db2.gz HCENVBZBVSYBGT-SNVBAGLBSA-N 1 2 231.303 1.544 20 0 BDADLO CC1(C)OC[C@H](CC[N@@H+]2CCC(F)(F)C2)O1 ZINC000851907351 588642385 /nfs/dbraw/zinc/64/23/85/588642385.db2.gz HEZOKAUJWAAGCB-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO CC1(C)OC[C@H](CC[N@H+]2CCC(F)(F)C2)O1 ZINC000851907351 588642386 /nfs/dbraw/zinc/64/23/86/588642386.db2.gz HEZOKAUJWAAGCB-VIFPVBQESA-N 1 2 235.274 1.869 20 0 BDADLO COC(=O)[C@@H]([NH2+]CCOC(F)F)C(C)C ZINC000851927829 588644549 /nfs/dbraw/zinc/64/45/49/588644549.db2.gz NDDKACTZPHOLLQ-ZETCQYMHSA-N 1 2 225.235 1.013 20 0 BDADLO CCC(CC)([NH2+]CCOC(F)F)C(=O)OC ZINC000851932101 588645195 /nfs/dbraw/zinc/64/51/95/588645195.db2.gz CBEAVLSPMLGRGH-UHFFFAOYSA-N 1 2 239.262 1.547 20 0 BDADLO ClC(Cl)=CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000851953550 588647464 /nfs/dbraw/zinc/64/74/64/588647464.db2.gz HVLXCZGJVBUAHF-QMMMGPOBSA-N 1 2 247.129 1.844 20 0 BDADLO ClC(Cl)=CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000851953550 588647465 /nfs/dbraw/zinc/64/74/65/588647465.db2.gz HVLXCZGJVBUAHF-QMMMGPOBSA-N 1 2 247.129 1.844 20 0 BDADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851989411 588652509 /nfs/dbraw/zinc/65/25/09/588652509.db2.gz VJZRFEIJLHETKB-SSDOTTSWSA-N 1 2 235.209 1.844 20 0 BDADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851989411 588652510 /nfs/dbraw/zinc/65/25/10/588652510.db2.gz VJZRFEIJLHETKB-SSDOTTSWSA-N 1 2 235.209 1.844 20 0 BDADLO Cn1cnc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000852001096 588653899 /nfs/dbraw/zinc/65/38/99/588653899.db2.gz FOFHJPSSXHIYFH-UHFFFAOYSA-N 1 2 215.247 1.651 20 0 BDADLO CON(Cc1cn(C)c[nH+]1)CC1CCOCC1 ZINC000852018502 588655629 /nfs/dbraw/zinc/65/56/29/588655629.db2.gz NRNDMYYGTVRWST-UHFFFAOYSA-N 1 2 239.319 1.210 20 0 BDADLO Cc1noc([C@@H]2CCC[N@@H+]2CCOC(F)F)n1 ZINC000852044624 588657658 /nfs/dbraw/zinc/65/76/58/588657658.db2.gz HLKUAHSBHKZEKV-QMMMGPOBSA-N 1 2 247.245 1.754 20 0 BDADLO Cc1noc([C@@H]2CCC[N@H+]2CCOC(F)F)n1 ZINC000852044624 588657659 /nfs/dbraw/zinc/65/76/59/588657659.db2.gz HLKUAHSBHKZEKV-QMMMGPOBSA-N 1 2 247.245 1.754 20 0 BDADLO CC(C)CC(=O)CCN1CCn2c[nH+]cc2C1 ZINC000852062613 588658483 /nfs/dbraw/zinc/65/84/83/588658483.db2.gz IPOYUMGDSJPXIT-UHFFFAOYSA-N 1 2 235.331 1.704 20 0 BDADLO c1nonc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000852063038 588658640 /nfs/dbraw/zinc/65/86/40/588658640.db2.gz MSTBZOBDYLHXPU-VXGBXAGGSA-N 1 2 249.314 1.603 20 0 BDADLO c1nonc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000852063038 588658641 /nfs/dbraw/zinc/65/86/41/588658641.db2.gz MSTBZOBDYLHXPU-VXGBXAGGSA-N 1 2 249.314 1.603 20 0 BDADLO CO[C@H]1C[C@H]([N@H+](C)Cc2cnon2)C12CCC2 ZINC000852142465 588666945 /nfs/dbraw/zinc/66/69/45/588666945.db2.gz ZKDALKJNRLAOBE-QWRGUYRKSA-N 1 2 237.303 1.459 20 0 BDADLO CO[C@H]1C[C@H]([N@@H+](C)Cc2cnon2)C12CCC2 ZINC000852142465 588666946 /nfs/dbraw/zinc/66/69/46/588666946.db2.gz ZKDALKJNRLAOBE-QWRGUYRKSA-N 1 2 237.303 1.459 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000852183913 588669922 /nfs/dbraw/zinc/66/99/22/588669922.db2.gz BIBASISBRVYLLH-MRVPVSSYSA-N 1 2 237.130 1.516 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852183913 588669923 /nfs/dbraw/zinc/66/99/23/588669923.db2.gz BIBASISBRVYLLH-MRVPVSSYSA-N 1 2 237.130 1.516 20 0 BDADLO FC1(F)C[C@]12CC[N@H+](Cc1cnon1)C2 ZINC000852215806 588673203 /nfs/dbraw/zinc/67/32/03/588673203.db2.gz VJNBDIHWKRHCIU-QMMMGPOBSA-N 1 2 215.203 1.301 20 0 BDADLO FC1(F)C[C@]12CC[N@@H+](Cc1cnon1)C2 ZINC000852215806 588673204 /nfs/dbraw/zinc/67/32/04/588673204.db2.gz VJNBDIHWKRHCIU-QMMMGPOBSA-N 1 2 215.203 1.301 20 0 BDADLO CN(Cc1c[nH+]c[nH]1)Cc1cccc(F)n1 ZINC000852288370 588675951 /nfs/dbraw/zinc/67/59/51/588675951.db2.gz NTCICNGQXLSTHV-UHFFFAOYSA-N 1 2 220.251 1.576 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)Cc1cnc[nH]1 ZINC000852288513 588676095 /nfs/dbraw/zinc/67/60/95/588676095.db2.gz OWRHWIGBSCEETA-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)Cc1cnc[nH]1 ZINC000852288513 588676096 /nfs/dbraw/zinc/67/60/96/588676096.db2.gz OWRHWIGBSCEETA-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C[N@H+](CCC(=O)C1CC1)Cc1c[nH]cn1 ZINC000852288513 588676097 /nfs/dbraw/zinc/67/60/97/588676097.db2.gz OWRHWIGBSCEETA-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO C[N@@H+](CCC(=O)C1CC1)Cc1c[nH]cn1 ZINC000852288513 588676098 /nfs/dbraw/zinc/67/60/98/588676098.db2.gz OWRHWIGBSCEETA-UHFFFAOYSA-N 1 2 207.277 1.211 20 0 BDADLO Cc1cnc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cn1 ZINC000852323462 588678857 /nfs/dbraw/zinc/67/88/57/588678857.db2.gz JBXFSCNNXCGXHA-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1cnc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cn1 ZINC000852323462 588678858 /nfs/dbraw/zinc/67/88/58/588678858.db2.gz JBXFSCNNXCGXHA-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1C=CCC1 ZINC000852371237 588680160 /nfs/dbraw/zinc/68/01/60/588680160.db2.gz DIMHLNUNHMQWAO-GHMZBOCLSA-N 1 2 248.330 1.982 20 0 BDADLO C[C@@H]1C[C@@H](NC(=O)N[C@H]2C=CCC2)c2[nH+]ccn21 ZINC000852374891 588680378 /nfs/dbraw/zinc/68/03/78/588680378.db2.gz ZJEWOEYFVMUQKS-OUAUKWLOSA-N 1 2 246.314 1.907 20 0 BDADLO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1cscn1 ZINC000852417907 588681693 /nfs/dbraw/zinc/68/16/93/588681693.db2.gz PBAGOFYOMQUCLQ-OTOXVQDCSA-N 1 2 240.328 1.913 20 0 BDADLO COCC[N@H+](CCF)C[C@H](O)c1ccccn1 ZINC000852480762 588684169 /nfs/dbraw/zinc/68/41/69/588684169.db2.gz VLKCQWPMNMBKSM-LBPRGKRZSA-N 1 2 242.294 1.033 20 0 BDADLO COCC[N@@H+](CCF)C[C@H](O)c1ccccn1 ZINC000852480762 588684170 /nfs/dbraw/zinc/68/41/70/588684170.db2.gz VLKCQWPMNMBKSM-LBPRGKRZSA-N 1 2 242.294 1.033 20 0 BDADLO COCC[N@H+](CCF)[C@H](C)C(=O)NCC(C)C ZINC000852483127 588684772 /nfs/dbraw/zinc/68/47/72/588684772.db2.gz CCTHTNDCIWSKAS-LLVKDONJSA-N 1 2 248.342 1.065 20 0 BDADLO COCC[N@@H+](CCF)[C@H](C)C(=O)NCC(C)C ZINC000852483127 588684773 /nfs/dbraw/zinc/68/47/73/588684773.db2.gz CCTHTNDCIWSKAS-LLVKDONJSA-N 1 2 248.342 1.065 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000852518784 588687824 /nfs/dbraw/zinc/68/78/24/588687824.db2.gz NVYNBIPJQZMZNS-NSHDSACASA-N 1 2 241.331 1.607 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000852518784 588687825 /nfs/dbraw/zinc/68/78/25/588687825.db2.gz NVYNBIPJQZMZNS-NSHDSACASA-N 1 2 241.331 1.607 20 0 BDADLO Cc1ccnc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000852518494 588687876 /nfs/dbraw/zinc/68/78/76/588687876.db2.gz HDKPUVUQJMVMIS-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO Cc1ccnc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000852518494 588687877 /nfs/dbraw/zinc/68/78/77/588687877.db2.gz HDKPUVUQJMVMIS-UHFFFAOYSA-N 1 2 233.315 1.564 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852580956 588691906 /nfs/dbraw/zinc/69/19/06/588691906.db2.gz GPCCYGMELCMQSV-GHMZBOCLSA-N 1 2 241.331 1.079 20 0 BDADLO O=C1CCCC12CC[NH+]([C@@H]1CCOC1=O)CC2 ZINC000852632051 588692990 /nfs/dbraw/zinc/69/29/90/588692990.db2.gz PBPCINQPSCFLRL-SNVBAGLBSA-N 1 2 237.299 1.137 20 0 BDADLO C[C@@H]1[C@@H](C)[N@H+](CCF)CCN1CCF ZINC000852739608 588698703 /nfs/dbraw/zinc/69/87/03/588698703.db2.gz CBGFDBIJFHXPIJ-NXEZZACHSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@@H]1[C@@H](C)[N@@H+](CCF)CCN1CCF ZINC000852739608 588698704 /nfs/dbraw/zinc/69/87/04/588698704.db2.gz CBGFDBIJFHXPIJ-NXEZZACHSA-N 1 2 206.280 1.320 20 0 BDADLO C[C@]1(C(F)F)C[N@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000852785046 588701287 /nfs/dbraw/zinc/70/12/87/588701287.db2.gz XWECBERPOSSWJV-LDYMZIIASA-N 1 2 249.257 1.048 20 0 BDADLO C[C@]1(C(F)F)C[N@@H+](C[C@H]2CCC(=O)O2)CCO1 ZINC000852785046 588701288 /nfs/dbraw/zinc/70/12/88/588701288.db2.gz XWECBERPOSSWJV-LDYMZIIASA-N 1 2 249.257 1.048 20 0 BDADLO CCC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000201971962 589141074 /nfs/dbraw/zinc/14/10/74/589141074.db2.gz NZYILPDSUIFUIZ-UHFFFAOYSA-N 1 2 210.277 1.863 20 0 BDADLO CCS(=O)(=O)CC[N@H+](C)[C@H](C)c1ccco1 ZINC000118394927 589169869 /nfs/dbraw/zinc/16/98/69/589169869.db2.gz XGIOQBNYBFUWPV-SNVBAGLBSA-N 1 2 245.344 1.707 20 0 BDADLO CCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccco1 ZINC000118394927 589169870 /nfs/dbraw/zinc/16/98/70/589169870.db2.gz XGIOQBNYBFUWPV-SNVBAGLBSA-N 1 2 245.344 1.707 20 0 BDADLO Cc1c[nH]c(CN2CCCc3n[nH]cc32)[nH+]1 ZINC000862352244 589202544 /nfs/dbraw/zinc/20/25/44/589202544.db2.gz ZNIVBADIBMFKQM-UHFFFAOYSA-N 1 2 217.276 1.394 20 0 BDADLO Cc1[nH]c(CN2CCO[C@H](C(F)F)C2)[nH+]c1C ZINC000862355872 589202826 /nfs/dbraw/zinc/20/28/26/589202826.db2.gz UNZXVDRYMHQHNF-VIFPVBQESA-N 1 2 245.273 1.492 20 0 BDADLO Cc1[nH]c(CN2C[C@H]3[C@@H](C2)C3(F)F)[nH+]c1C ZINC000862401428 589209252 /nfs/dbraw/zinc/20/92/52/589209252.db2.gz DPKBKUZVFIDBCB-DTORHVGOSA-N 1 2 227.258 1.723 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000119131599 589244938 /nfs/dbraw/zinc/24/49/38/589244938.db2.gz IOHIWHQOBCCUML-TUAOUCFPSA-N 1 2 240.347 1.312 20 0 BDADLO CC[C@H]1CC(=O)N(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000119131599 589244939 /nfs/dbraw/zinc/24/49/39/589244939.db2.gz IOHIWHQOBCCUML-TUAOUCFPSA-N 1 2 240.347 1.312 20 0 BDADLO O=c1c2ccc[nH]c-2cn1C[NH+](C1CC1)C1CC1 ZINC000863302959 589277531 /nfs/dbraw/zinc/27/75/31/589277531.db2.gz PFHYVOIINBROOZ-UHFFFAOYSA-N 1 2 243.310 1.622 20 0 BDADLO CO[C@@H](C)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478903 589292125 /nfs/dbraw/zinc/29/21/25/589292125.db2.gz YDBQQMKYNWLRLB-VIFPVBQESA-N 1 2 230.308 1.479 20 0 BDADLO COC1(C(N)=[NH+]OC[C@H]2CCCO2)CCCC1 ZINC000863478219 589292280 /nfs/dbraw/zinc/29/22/80/589292280.db2.gz KRGLTJCFTDSTEY-SNVBAGLBSA-N 1 2 242.319 1.623 20 0 BDADLO COC1(C(N)=[NH+]OCC[C@@H](C)O)CCCC1 ZINC000863476994 589292293 /nfs/dbraw/zinc/29/22/93/589292293.db2.gz DQAWXVUALBXXRV-SECBINFHSA-N 1 2 230.308 1.215 20 0 BDADLO COC1(C(N)=[NH+]OC[C@H]2CCOC2)CCCC1 ZINC000863479172 589292846 /nfs/dbraw/zinc/29/28/46/589292846.db2.gz FMZZXAIPUARVMI-JTQLQIEISA-N 1 2 242.319 1.481 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H](C)c2ccncc2)n1 ZINC000863656878 589308318 /nfs/dbraw/zinc/30/83/18/589308318.db2.gz UHZAZUWRVBGVRD-SNVBAGLBSA-N 1 2 246.314 1.920 20 0 BDADLO CS[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC000864355200 589355131 /nfs/dbraw/zinc/35/51/31/589355131.db2.gz DYLUPJGLJMPWTO-ZKCHVHJHSA-N 1 2 249.343 1.669 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864407871 589359461 /nfs/dbraw/zinc/35/94/61/589359461.db2.gz GCZPTFORQAUZRQ-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864407871 589359463 /nfs/dbraw/zinc/35/94/63/589359463.db2.gz GCZPTFORQAUZRQ-SNVBAGLBSA-N 1 2 248.317 1.832 20 0 BDADLO COC/C=C\C(=O)Nc1ccc[nH+]c1N(C)C ZINC000864972246 589402754 /nfs/dbraw/zinc/40/27/54/589402754.db2.gz KQOQNGYNYALFQR-ALCCZGGFSA-N 1 2 235.287 1.289 20 0 BDADLO CC/C=C(\F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000865028850 589405636 /nfs/dbraw/zinc/40/56/36/589405636.db2.gz AFOVVIUOYGNHTJ-JYOAFUTRSA-N 1 2 226.295 1.556 20 0 BDADLO CC1(C)CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865122126 589409961 /nfs/dbraw/zinc/40/99/61/589409961.db2.gz UOJUXCJTVVYKRD-JTQLQIEISA-N 1 2 237.303 1.092 20 0 BDADLO Cc1cc(F)ncc1C(=O)NCc1[nH+]ccn1C ZINC000865158477 589412220 /nfs/dbraw/zinc/41/22/20/589412220.db2.gz MIONAMDIBDPLRY-UHFFFAOYSA-N 1 2 248.261 1.193 20 0 BDADLO CCCn1cc(CNc2ccc(OC)c[nH+]2)nn1 ZINC000865290931 589420523 /nfs/dbraw/zinc/42/05/23/589420523.db2.gz OZHPDEVQLVEESR-UHFFFAOYSA-N 1 2 247.302 1.704 20 0 BDADLO COCCOCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376023 589428252 /nfs/dbraw/zinc/42/82/52/589428252.db2.gz VZKBTNBAARNVQE-UHFFFAOYSA-N 1 2 226.320 1.844 20 0 BDADLO COCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865397174 589431674 /nfs/dbraw/zinc/43/16/74/589431674.db2.gz NGBYMFHQGSGRJD-UHFFFAOYSA-N 1 2 226.667 1.670 20 0 BDADLO CC(=O)c1cccc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000865440978 589435885 /nfs/dbraw/zinc/43/58/85/589435885.db2.gz NNTPWAUQBIKISC-SNVBAGLBSA-N 1 2 244.298 1.981 20 0 BDADLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(F)nn1 ZINC000865440915 589435981 /nfs/dbraw/zinc/43/59/81/589435981.db2.gz LRASXMRQBUWTMO-QMMMGPOBSA-N 1 2 221.239 1.313 20 0 BDADLO C[C@H](Cn1cncn1)Nc1ccc([C@H](C)O)c[nH+]1 ZINC000865479687 589439905 /nfs/dbraw/zinc/43/99/05/589439905.db2.gz DCHAHRZJVIDPMR-ZJUUUORDSA-N 1 2 247.302 1.227 20 0 BDADLO CC(C)Cc1cc(NC[C@@H](O)C2CC2)nc[nH+]1 ZINC000865506820 589442578 /nfs/dbraw/zinc/44/25/78/589442578.db2.gz UZEFDUJSSCWCLA-GFCCVEGCSA-N 1 2 235.331 1.858 20 0 BDADLO CC(C)Cc1cc(NCC[S@](C)=O)nc[nH+]1 ZINC000865541395 589444707 /nfs/dbraw/zinc/44/47/07/589444707.db2.gz LVPOWANBONNVSX-INIZCTEOSA-N 1 2 241.360 1.466 20 0 BDADLO C[C@@H](O)c1ccc(N[C@H](CCO)C2CC2)[nH+]c1 ZINC000865551263 589445950 /nfs/dbraw/zinc/44/59/50/589445950.db2.gz AXJBNZFAXLNVQU-BXKDBHETSA-N 1 2 236.315 1.708 20 0 BDADLO CO[C@@H](C)[C@H](C)Nc1ccc([C@@H](C)O)c[nH+]1 ZINC000865716630 589458296 /nfs/dbraw/zinc/45/82/96/589458296.db2.gz CCCRAZKATFIYHJ-AEJSXWLSSA-N 1 2 224.304 1.970 20 0 BDADLO OCCCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865732963 589458824 /nfs/dbraw/zinc/45/88/24/589458824.db2.gz NZWOCTKGYLXXQX-UHFFFAOYSA-N 1 2 240.694 1.796 20 0 BDADLO Cc1cc(NC(=O)C2CC3(CSC3)C2)cc[nH+]1 ZINC000865742168 589460291 /nfs/dbraw/zinc/46/02/91/589460291.db2.gz WCJOSWOEDJQLMU-UHFFFAOYSA-N 1 2 248.351 1.894 20 0 BDADLO CC(C)Cc1cc(N[C@H]2[C@@H]3COC[C@@H]32)nc[nH+]1 ZINC000865749082 589460633 /nfs/dbraw/zinc/46/06/33/589460633.db2.gz NDXZMSIWKGMHRR-PJXYFTJBSA-N 1 2 233.315 1.732 20 0 BDADLO Cc1[nH]c(CNc2ccn(CCF)n2)[nH+]c1C ZINC000865835651 589463823 /nfs/dbraw/zinc/46/38/23/589463823.db2.gz DUVWYUZHIDPDDM-UHFFFAOYSA-N 1 2 237.282 1.805 20 0 BDADLO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccnn1C ZINC000865837937 589464112 /nfs/dbraw/zinc/46/41/12/589464112.db2.gz NGEHHYIGMZNAJY-JTQLQIEISA-N 1 2 245.330 1.414 20 0 BDADLO Cc1cc(C[NH2+][C@@H](C)c2ccnn2C)nn1C ZINC000865837860 589464168 /nfs/dbraw/zinc/46/41/68/589464168.db2.gz LYXNGDJMMSHEBW-JTQLQIEISA-N 1 2 233.319 1.313 20 0 BDADLO CCn1cc[nH+]c1CNc1ccn(CCF)n1 ZINC000865837041 589464231 /nfs/dbraw/zinc/46/42/31/589464231.db2.gz CDAXFPJVSJICNB-UHFFFAOYSA-N 1 2 237.282 1.681 20 0 BDADLO C[C@@H](O)c1ccc(N2CCO[C@H](CF)C2)[nH+]c1 ZINC000865875531 589466673 /nfs/dbraw/zinc/46/66/73/589466673.db2.gz CRCIDRIVGHKQFP-MWLCHTKSSA-N 1 2 240.278 1.310 20 0 BDADLO C[C@@H]1CCCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865883965 589467270 /nfs/dbraw/zinc/46/72/70/589467270.db2.gz NTCRPVJHFRHBBC-MWLCHTKSSA-N 1 2 237.303 1.234 20 0 BDADLO C[C@@H](O)c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]c1 ZINC000865908135 589468321 /nfs/dbraw/zinc/46/83/21/589468321.db2.gz OYQLMIVQFAPYRF-HKWIRBFKSA-N 1 2 234.299 1.867 20 0 BDADLO Cc1nc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc[nH+]1 ZINC000866044674 589473850 /nfs/dbraw/zinc/47/38/50/589473850.db2.gz KMNRTTSMIZJFRP-STXZSOOUSA-N 1 2 231.299 1.620 20 0 BDADLO Cc1nc(N2CC[C@@H]3CSC[C@H]3C2)cc[nH+]1 ZINC000866204760 589480351 /nfs/dbraw/zinc/48/03/51/589480351.db2.gz ZMYXTBWNSBGGAL-GHMZBOCLSA-N 1 2 235.356 1.974 20 0 BDADLO Cc1nc(N2C[C@H](O)CC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000866226847 589481668 /nfs/dbraw/zinc/48/16/68/589481668.db2.gz PBNMYVRWWOJMPJ-GFCCVEGCSA-N 1 2 249.358 1.999 20 0 BDADLO CC1(C)C[C@H](O)CN(c2cccc[nH+]2)C1 ZINC000866227342 589481759 /nfs/dbraw/zinc/48/17/59/589481759.db2.gz YKPQAUYZNBNAGP-JTQLQIEISA-N 1 2 206.289 1.679 20 0 BDADLO CCCOC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712405 589531415 /nfs/dbraw/zinc/53/14/15/589531415.db2.gz AYBOKJOJKMOCAR-SNVBAGLBSA-N 1 2 232.299 1.557 20 0 BDADLO CCCOC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712405 589531416 /nfs/dbraw/zinc/53/14/16/589531416.db2.gz AYBOKJOJKMOCAR-SNVBAGLBSA-N 1 2 232.299 1.557 20 0 BDADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC2(CCC2)CC1 ZINC000868296321 589553951 /nfs/dbraw/zinc/55/39/51/589553951.db2.gz NMZAZGGSWPOMDC-LLVKDONJSA-N 1 2 249.314 1.236 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000868426843 589557538 /nfs/dbraw/zinc/55/75/38/589557538.db2.gz LCMWKNFOIYGPFL-RCWTZXSCSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000868426843 589557540 /nfs/dbraw/zinc/55/75/40/589557540.db2.gz LCMWKNFOIYGPFL-RCWTZXSCSA-N 1 2 245.326 1.587 20 0 BDADLO C[C@@H](NC(=O)C1(F)CCOCC1)c1[nH]cc[nH+]1 ZINC000868505847 589561417 /nfs/dbraw/zinc/56/14/17/589561417.db2.gz COZMEGGSZFIKRF-MRVPVSSYSA-N 1 2 241.266 1.106 20 0 BDADLO C/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000868676510 589572611 /nfs/dbraw/zinc/57/26/11/589572611.db2.gz YLUSHVGIJXRAFT-RNEXMXFGSA-N 1 2 207.277 1.656 20 0 BDADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/COC ZINC000868678926 589572711 /nfs/dbraw/zinc/57/27/11/589572711.db2.gz OTBHIZRNDZBHPS-BRAIEQGRSA-N 1 2 237.303 1.283 20 0 BDADLO Cc1cc(F)ncc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000869224437 589593357 /nfs/dbraw/zinc/59/33/57/589593357.db2.gz OODIXZHXIZLOTG-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO Cc1cc(F)ncc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000869224437 589593358 /nfs/dbraw/zinc/59/33/58/589593358.db2.gz OODIXZHXIZLOTG-UHFFFAOYSA-N 1 2 248.261 1.524 20 0 BDADLO CC[N@@H+]1CCO[C@H](C(=O)OCCCC2CC2)C1 ZINC000869418322 589604277 /nfs/dbraw/zinc/60/42/77/589604277.db2.gz RHQFLYGTOOVGDF-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CC[N@H+]1CCO[C@H](C(=O)OCCCC2CC2)C1 ZINC000869418322 589604278 /nfs/dbraw/zinc/60/42/78/589604278.db2.gz RHQFLYGTOOVGDF-LBPRGKRZSA-N 1 2 241.331 1.441 20 0 BDADLO CC(C)(F)CNC(=O)c1cccc2[nH+]ccn21 ZINC000869624424 589617351 /nfs/dbraw/zinc/61/73/51/589617351.db2.gz CGZJVAHEGPOJGQ-UHFFFAOYSA-N 1 2 235.262 1.812 20 0 BDADLO COc1cc(C)[nH+]c(COC(=O)[C@@H](C)OC)c1 ZINC000122783027 589631889 /nfs/dbraw/zinc/63/18/89/589631889.db2.gz TVBXUSZHFSEWRC-SECBINFHSA-N 1 2 239.271 1.477 20 0 BDADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCCc1c[nH+]cn1C ZINC000869889172 589636073 /nfs/dbraw/zinc/63/60/73/589636073.db2.gz WMMCBEOSXYBGAR-IXOXFDKPSA-N 1 2 248.326 1.798 20 0 BDADLO COCCCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000122894018 589643267 /nfs/dbraw/zinc/64/32/67/589643267.db2.gz QHCDRLASNDKBFA-JTQLQIEISA-N 1 2 247.360 1.003 20 0 BDADLO C[C@@H]1C[C@@H](C(=O)OCc2c[nH+]cn2C)[C@H](C)O1 ZINC000870220333 589649975 /nfs/dbraw/zinc/64/99/75/589649975.db2.gz UUSKHWBXDFIKKT-WCABBAIRSA-N 1 2 238.287 1.277 20 0 BDADLO CS[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000871096495 589725962 /nfs/dbraw/zinc/72/59/62/589725962.db2.gz SIYINTNCKHNDQY-KYZUINATSA-N 1 2 239.344 1.353 20 0 BDADLO C[C@@H](O)CSCc1[nH+]ccn1CC(F)F ZINC000871675626 589788141 /nfs/dbraw/zinc/78/81/41/589788141.db2.gz ISGQLFFBBPSDBK-SSDOTTSWSA-N 1 2 236.287 1.762 20 0 BDADLO Cc1cncc(CO[NH+]=C(N)COC2CCC2)c1 ZINC000871778720 589814898 /nfs/dbraw/zinc/81/48/98/589814898.db2.gz UARZBJNCFXGAKI-UHFFFAOYSA-N 1 2 249.314 1.958 20 0 BDADLO CC(C)(O)C[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989303 589854436 /nfs/dbraw/zinc/85/44/36/589854436.db2.gz LEPDIPBHFGXAOS-JTQLQIEISA-N 1 2 240.347 1.703 20 0 BDADLO COC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989415 589854729 /nfs/dbraw/zinc/85/47/29/589854729.db2.gz NOLOWNUTGMRKEB-SECBINFHSA-N 1 2 212.293 1.188 20 0 BDADLO Cc1nonc1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000872136270 589878744 /nfs/dbraw/zinc/87/87/44/589878744.db2.gz LBOGGLCHUVBETO-LURJTMIESA-N 1 2 221.264 1.260 20 0 BDADLO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2cnon2)[C@@H]1O ZINC000872261383 589902459 /nfs/dbraw/zinc/90/24/59/589902459.db2.gz OICAAUBUXLKUCR-AXFHLTTASA-N 1 2 237.303 1.051 20 0 BDADLO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2cnon2)[C@@H]1O ZINC000872261383 589902460 /nfs/dbraw/zinc/90/24/60/589902460.db2.gz OICAAUBUXLKUCR-AXFHLTTASA-N 1 2 237.303 1.051 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315004 589910242 /nfs/dbraw/zinc/91/02/42/589910242.db2.gz JZNNWLHVASYOSA-YPMHNXCESA-N 1 2 241.331 1.487 20 0 BDADLO CN1CC[N@H+](Cc2c[nH]cn2)Cc2cccnc21 ZINC000872320081 589911341 /nfs/dbraw/zinc/91/13/41/589911341.db2.gz ZALJVEDINCNBCF-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO CN1CC[N@@H+](Cc2c[nH]cn2)Cc2cccnc21 ZINC000872320081 589911344 /nfs/dbraw/zinc/91/13/44/589911344.db2.gz ZALJVEDINCNBCF-UHFFFAOYSA-N 1 2 243.314 1.257 20 0 BDADLO CC(=O)C1CCN(c2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000872666976 589960078 /nfs/dbraw/zinc/96/00/78/589960078.db2.gz LHMMKWHHAANAKU-LLVKDONJSA-N 1 2 248.326 1.940 20 0 BDADLO CCc1cc(NCCC[C@H]2CCOC2=O)nc[nH+]1 ZINC000872701495 589962839 /nfs/dbraw/zinc/96/28/39/589962839.db2.gz ATBROIGAHZJQHT-JTQLQIEISA-N 1 2 249.314 1.794 20 0 BDADLO FC(F)C[N@H+](CCC1OCCO1)C1CC1 ZINC000124230894 589965540 /nfs/dbraw/zinc/96/55/40/589965540.db2.gz VMUHKHLRSOWYOL-UHFFFAOYSA-N 1 2 221.247 1.479 20 0 BDADLO FC(F)C[N@@H+](CCC1OCCO1)C1CC1 ZINC000124230894 589965541 /nfs/dbraw/zinc/96/55/41/589965541.db2.gz VMUHKHLRSOWYOL-UHFFFAOYSA-N 1 2 221.247 1.479 20 0 BDADLO CC(C)(O)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000872783046 589969990 /nfs/dbraw/zinc/96/99/90/589969990.db2.gz JQKORRKSHAWCST-LLVKDONJSA-N 1 2 247.342 1.951 20 0 BDADLO O=C1CC[C@H]([NH2+]c2ccc3c(c2)CCO3)CCN1 ZINC000873050764 589981648 /nfs/dbraw/zinc/98/16/48/589981648.db2.gz RVUPOMGXDJQWNK-NSHDSACASA-N 1 2 246.310 1.702 20 0 BDADLO Cc1[nH]ncc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873157213 589988823 /nfs/dbraw/zinc/98/88/23/589988823.db2.gz UJBJYOPCGVEWRS-KGYLQXTDSA-N 1 2 235.331 1.765 20 0 BDADLO Cc1csc([C@@H](C)[NH2+]Cc2cnc(N)cn2)n1 ZINC000873210807 589995230 /nfs/dbraw/zinc/99/52/30/589995230.db2.gz BYUIOHWUWOEDMN-MRVPVSSYSA-N 1 2 249.343 1.675 20 0 BDADLO Nc1ccc2c(c1)OCC[N@@H+](Cc1cc[nH]n1)C2 ZINC000873218879 589999061 /nfs/dbraw/zinc/99/90/61/589999061.db2.gz APQIDQBJGCNFGU-UHFFFAOYSA-N 1 2 244.298 1.387 20 0 BDADLO Nc1ccc2c(c1)OCC[N@H+](Cc1cc[nH]n1)C2 ZINC000873218879 589999063 /nfs/dbraw/zinc/99/90/63/589999063.db2.gz APQIDQBJGCNFGU-UHFFFAOYSA-N 1 2 244.298 1.387 20 0 BDADLO CONC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000873946416 590080480 /nfs/dbraw/zinc/08/04/80/590080480.db2.gz QVYZTLGBYRPWTC-ZCFIWIBFSA-N 1 2 237.181 1.054 20 0 BDADLO CCCN(CCO)c1ccc([C@H](C)O)c[nH+]1 ZINC000124926145 590101953 /nfs/dbraw/zinc/10/19/53/590101953.db2.gz IGICWZLYPFVMMN-JTQLQIEISA-N 1 2 224.304 1.344 20 0 BDADLO CCC[C@H](CC)C(=O)NCc1[nH+]ccn1C ZINC000874346328 590105554 /nfs/dbraw/zinc/10/55/54/590105554.db2.gz QYSPQDSYZIYURW-JTQLQIEISA-N 1 2 223.320 1.863 20 0 BDADLO CCn1ccc(C(=O)NCc2[nH]cc[nH+]2)c1C ZINC000874457236 590112780 /nfs/dbraw/zinc/11/27/80/590112780.db2.gz MFMRFMXQIHFYJI-UHFFFAOYSA-N 1 2 232.287 1.470 20 0 BDADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC12CCC2 ZINC000874779587 590131455 /nfs/dbraw/zinc/13/14/55/590131455.db2.gz AOOJDGQDSOTTNU-JTQLQIEISA-N 1 2 219.288 1.401 20 0 BDADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC12CCC2 ZINC000874779587 590131456 /nfs/dbraw/zinc/13/14/56/590131456.db2.gz AOOJDGQDSOTTNU-JTQLQIEISA-N 1 2 219.288 1.401 20 0 BDADLO Cc1[nH]c(C(=O)NC2(C)CC(F)(F)C2)c[nH+]1 ZINC000874856176 590148906 /nfs/dbraw/zinc/14/89/06/590148906.db2.gz YHBACMPALCXQIX-UHFFFAOYSA-N 1 2 229.230 1.636 20 0 BDADLO CC1(C)CC[C@@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875584310 590165998 /nfs/dbraw/zinc/16/59/98/590165998.db2.gz ZVGDPVGSQCPTCV-KOLCDFICSA-N 1 2 248.330 1.296 20 0 BDADLO O=C(N[C@@H]1CC12CCC2)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000876421673 590198048 /nfs/dbraw/zinc/19/80/48/590198048.db2.gz VRTPZQZGFAEMKE-MWLCHTKSSA-N 1 2 246.314 1.050 20 0 BDADLO COc1cnc(F)c(C[N@H+](CCO)C2CC2)c1 ZINC000876579613 590218960 /nfs/dbraw/zinc/21/89/60/590218960.db2.gz ISJGRXJVLZOQFL-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO COc1cnc(F)c(C[N@@H+](CCO)C2CC2)c1 ZINC000876579613 590218961 /nfs/dbraw/zinc/21/89/61/590218961.db2.gz ISJGRXJVLZOQFL-UHFFFAOYSA-N 1 2 240.278 1.186 20 0 BDADLO CC(C)=CCOC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000126201700 590252263 /nfs/dbraw/zinc/25/22/63/590252263.db2.gz WFXSSLACTBHVKZ-NSHDSACASA-N 1 2 243.372 1.933 20 0 BDADLO COc1cccc(C)c1C[NH2+]Cc1nncn1C ZINC000876928914 590258433 /nfs/dbraw/zinc/25/84/33/590258433.db2.gz DCJZKRPZIPXJAQ-UHFFFAOYSA-N 1 2 246.314 1.422 20 0 BDADLO c1c(C[N@H+]2CC=CCC2)nnn1C[C@@H]1CCCO1 ZINC000877168648 590296004 /nfs/dbraw/zinc/29/60/04/590296004.db2.gz YRTSFRIUQOHYKX-ZDUSSCGKSA-N 1 2 248.330 1.219 20 0 BDADLO c1c(C[N@@H+]2CC=CCC2)nnn1C[C@@H]1CCCO1 ZINC000877168648 590296006 /nfs/dbraw/zinc/29/60/06/590296006.db2.gz YRTSFRIUQOHYKX-ZDUSSCGKSA-N 1 2 248.330 1.219 20 0 BDADLO Cc1nocc1NC(=O)NCc1[nH+]ccn1C ZINC000888746459 590326358 /nfs/dbraw/zinc/32/63/58/590326358.db2.gz RLJZVQNSQMFGGH-UHFFFAOYSA-N 1 2 235.247 1.038 20 0 BDADLO C[C@H]1CC[N@H+](Cc2nc(Cl)cs2)[C@H]1CO ZINC000877464910 590334000 /nfs/dbraw/zinc/33/40/00/590334000.db2.gz OTQAPXVBKXAVQZ-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)[C@H]1CO ZINC000877464910 590334003 /nfs/dbraw/zinc/33/40/03/590334003.db2.gz OTQAPXVBKXAVQZ-YUMQZZPRSA-N 1 2 246.763 1.999 20 0 BDADLO COC(=O)[C@H](C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877476616 590335501 /nfs/dbraw/zinc/33/55/01/590335501.db2.gz JAAFJAHMXWDSLZ-NTSWFWBYSA-N 1 2 226.103 1.331 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000877476925 590335683 /nfs/dbraw/zinc/33/56/83/590335683.db2.gz QYVKLBKFWMEQSU-VQVTYTSYSA-N 1 2 207.220 1.181 20 0 BDADLO CCCn1cc(C[N@H+](C)C[C@H](C)OC)nn1 ZINC000877522164 590346887 /nfs/dbraw/zinc/34/68/87/590346887.db2.gz BPENKCVJMATSJJ-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO CCCn1cc(C[N@@H+](C)C[C@H](C)OC)nn1 ZINC000877522164 590346889 /nfs/dbraw/zinc/34/68/89/590346889.db2.gz BPENKCVJMATSJJ-JTQLQIEISA-N 1 2 226.324 1.155 20 0 BDADLO O=C(C[NH2+]Cc1nc(Cl)cs1)NC1CC1 ZINC000877531590 590348601 /nfs/dbraw/zinc/34/86/01/590348601.db2.gz PDHRGXUTJPLMPY-UHFFFAOYSA-N 1 2 245.735 1.165 20 0 BDADLO Nc1c(F)cccc1C[NH2+]C(CF)CF ZINC000877555759 590356479 /nfs/dbraw/zinc/35/64/79/590356479.db2.gz ARXOBOCBSOPUDF-UHFFFAOYSA-N 1 2 218.222 1.805 20 0 BDADLO Nc1c(F)cccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000877557495 590358053 /nfs/dbraw/zinc/35/80/53/590358053.db2.gz SPWYLVCZKSUADA-NSHDSACASA-N 1 2 246.289 1.839 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877576793 590364028 /nfs/dbraw/zinc/36/40/28/590364028.db2.gz PZWFQHAQTKABRU-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877576793 590364031 /nfs/dbraw/zinc/36/40/31/590364031.db2.gz PZWFQHAQTKABRU-SFYZADRCSA-N 1 2 246.763 1.999 20 0 BDADLO COC1C[NH+](Cc2ccc(C)cc2F)C1 ZINC000877580765 590365171 /nfs/dbraw/zinc/36/51/71/590365171.db2.gz YAIPTZIBFIXYNC-UHFFFAOYSA-N 1 2 209.264 1.965 20 0 BDADLO COc1cc(C[NH2+]Cc2ccnc(F)c2)on1 ZINC000877635350 590380691 /nfs/dbraw/zinc/38/06/91/590380691.db2.gz NVWBUNZORGDEDW-UHFFFAOYSA-N 1 2 237.234 1.507 20 0 BDADLO CCn1ncc(C[NH2+]Cc2cc(C)ns2)n1 ZINC000877647495 590384480 /nfs/dbraw/zinc/38/44/80/590384480.db2.gz DIEJQPACUWWEIQ-UHFFFAOYSA-N 1 2 237.332 1.353 20 0 BDADLO CCn1ncc(C[NH+]2CC(c3ccccc3)C2)n1 ZINC000877665721 590388510 /nfs/dbraw/zinc/38/85/10/590388510.db2.gz GMSWIPUJOXFWMX-UHFFFAOYSA-N 1 2 242.326 1.897 20 0 BDADLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000126729305 590428032 /nfs/dbraw/zinc/42/80/32/590428032.db2.gz SKDSDCTWJIEKIV-VIFPVBQESA-N 1 2 239.319 1.200 20 0 BDADLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000126729305 590428034 /nfs/dbraw/zinc/42/80/34/590428034.db2.gz SKDSDCTWJIEKIV-VIFPVBQESA-N 1 2 239.319 1.200 20 0 BDADLO CCCOC(=O)[C@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000126739735 590429822 /nfs/dbraw/zinc/42/98/22/590429822.db2.gz NRKIEEQOZRLDCX-XQJJYNOISA-N 1 2 249.376 1.027 20 0 BDADLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000126739735 590429823 /nfs/dbraw/zinc/42/98/23/590429823.db2.gz NRKIEEQOZRLDCX-XQJJYNOISA-N 1 2 249.376 1.027 20 0 BDADLO C[N@H+](CCO)Cc1noc2c1CC(C)(C)CC2 ZINC000877949549 590454640 /nfs/dbraw/zinc/45/46/40/590454640.db2.gz JTPYJJHZABOCQZ-UHFFFAOYSA-N 1 2 238.331 1.614 20 0 BDADLO C[N@@H+](CCO)Cc1noc2c1CC(C)(C)CC2 ZINC000877949549 590454641 /nfs/dbraw/zinc/45/46/41/590454641.db2.gz JTPYJJHZABOCQZ-UHFFFAOYSA-N 1 2 238.331 1.614 20 0 BDADLO CCC[N@@H+](CC(=O)N=S(C)(C)=O)CC(C)C ZINC000878007000 590470917 /nfs/dbraw/zinc/47/09/17/590470917.db2.gz HKMAWHNKRMFTKX-UHFFFAOYSA-N 1 2 248.392 1.609 20 0 BDADLO CCC[N@H+](CC(=O)N=S(C)(C)=O)CC(C)C ZINC000878007000 590470919 /nfs/dbraw/zinc/47/09/19/590470919.db2.gz HKMAWHNKRMFTKX-UHFFFAOYSA-N 1 2 248.392 1.609 20 0 BDADLO CC[N@H+](CCO)Cc1nc2c(o1)CCCC2 ZINC000878050096 590482772 /nfs/dbraw/zinc/48/27/72/590482772.db2.gz QOCODNFKKJRECY-UHFFFAOYSA-N 1 2 224.304 1.368 20 0 BDADLO CC[N@@H+](CCO)Cc1nc2c(o1)CCCC2 ZINC000878050096 590482775 /nfs/dbraw/zinc/48/27/75/590482775.db2.gz QOCODNFKKJRECY-UHFFFAOYSA-N 1 2 224.304 1.368 20 0 BDADLO CC[C@@H]1C[N@H+](Cc2nocc2C)C[C@@H](C)O1 ZINC000878095236 590492010 /nfs/dbraw/zinc/49/20/10/590492010.db2.gz VJACMBSZVDZMEQ-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO CC[C@@H]1C[N@@H+](Cc2nocc2C)C[C@@H](C)O1 ZINC000878095236 590492012 /nfs/dbraw/zinc/49/20/12/590492012.db2.gz VJACMBSZVDZMEQ-GHMZBOCLSA-N 1 2 224.304 1.982 20 0 BDADLO Cc1conc1C[N@H+](C)CCn1cccn1 ZINC000878096503 590492301 /nfs/dbraw/zinc/49/23/01/590492301.db2.gz SBNIFHGQKQNTIR-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO Cc1conc1C[N@@H+](C)CCn1cccn1 ZINC000878096503 590492304 /nfs/dbraw/zinc/49/23/04/590492304.db2.gz SBNIFHGQKQNTIR-UHFFFAOYSA-N 1 2 220.276 1.312 20 0 BDADLO CC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000878099755 590493950 /nfs/dbraw/zinc/49/39/50/590493950.db2.gz WKMSDKBVOAOZTO-GFCCVEGCSA-N 1 2 238.331 1.052 20 0 BDADLO CC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000878099755 590493952 /nfs/dbraw/zinc/49/39/52/590493952.db2.gz WKMSDKBVOAOZTO-GFCCVEGCSA-N 1 2 238.331 1.052 20 0 BDADLO CN1CC[N@H+](C[C@H]2CCCC(C)(C)O2)CC1=O ZINC000878124695 590501078 /nfs/dbraw/zinc/50/10/78/590501078.db2.gz HLLIXFHRXKBQCA-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CN1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)CC1=O ZINC000878124695 590501081 /nfs/dbraw/zinc/50/10/81/590501081.db2.gz HLLIXFHRXKBQCA-LLVKDONJSA-N 1 2 240.347 1.108 20 0 BDADLO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)N=S(C)(C)=O ZINC000878156155 590508818 /nfs/dbraw/zinc/50/88/18/590508818.db2.gz IXQWFSQZUUVCHQ-ZJUUUORDSA-N 1 2 246.376 1.361 20 0 BDADLO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N=S(C)(C)=O ZINC000878156155 590508820 /nfs/dbraw/zinc/50/88/20/590508820.db2.gz IXQWFSQZUUVCHQ-ZJUUUORDSA-N 1 2 246.376 1.361 20 0 BDADLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ncccc2C)C1 ZINC000878166343 590513134 /nfs/dbraw/zinc/51/31/34/590513134.db2.gz RTOZQXWCYPAHGE-LLVKDONJSA-N 1 2 249.314 1.049 20 0 BDADLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ncccc2C)C1 ZINC000878166343 590513136 /nfs/dbraw/zinc/51/31/36/590513136.db2.gz RTOZQXWCYPAHGE-LLVKDONJSA-N 1 2 249.314 1.049 20 0 BDADLO Cc1conc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000878320893 590545488 /nfs/dbraw/zinc/54/54/88/590545488.db2.gz KVJRWYQBEZZHIA-LLVKDONJSA-N 1 2 249.314 1.180 20 0 BDADLO Cc1conc1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000878320893 590545491 /nfs/dbraw/zinc/54/54/91/590545491.db2.gz KVJRWYQBEZZHIA-LLVKDONJSA-N 1 2 249.314 1.180 20 0 BDADLO CC(C)[C@@H](O)CC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000878477114 590575432 /nfs/dbraw/zinc/57/54/32/590575432.db2.gz GSSXXRZGOZPVGU-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO CC(C)[C@@H](O)CC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000878477114 590575434 /nfs/dbraw/zinc/57/54/34/590575434.db2.gz GSSXXRZGOZPVGU-UWVGGRQHSA-N 1 2 237.290 1.095 20 0 BDADLO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)c1ccccc1F ZINC000878482852 590577163 /nfs/dbraw/zinc/57/71/63/590577163.db2.gz ZTCWTNPMAVPBMA-IINYFYTJSA-N 1 2 249.285 1.323 20 0 BDADLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)c1ccccc1F ZINC000878482852 590577164 /nfs/dbraw/zinc/57/71/64/590577164.db2.gz ZTCWTNPMAVPBMA-IINYFYTJSA-N 1 2 249.285 1.323 20 0 BDADLO Cc1conc1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000878512409 590583897 /nfs/dbraw/zinc/58/38/97/590583897.db2.gz BWQNNHLIUHFKAO-LLVKDONJSA-N 1 2 242.319 1.201 20 0 BDADLO Cc1conc1C[N@H+](C)[C@H](CO)COC(C)C ZINC000878512409 590583899 /nfs/dbraw/zinc/58/38/99/590583899.db2.gz BWQNNHLIUHFKAO-LLVKDONJSA-N 1 2 242.319 1.201 20 0 BDADLO O=C(COC1CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000878553758 590591618 /nfs/dbraw/zinc/59/16/18/590591618.db2.gz QFASSRKTJZFPCK-NSHDSACASA-N 1 2 249.314 1.642 20 0 BDADLO C[N@H+](Cc1nc2c(o1)CCCC2)C1(CO)CC1 ZINC000878609955 590595734 /nfs/dbraw/zinc/59/57/34/590595734.db2.gz PPLSYQNEUSGNOD-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO C[N@@H+](Cc1nc2c(o1)CCCC2)C1(CO)CC1 ZINC000878609955 590595735 /nfs/dbraw/zinc/59/57/35/590595735.db2.gz PPLSYQNEUSGNOD-UHFFFAOYSA-N 1 2 236.315 1.510 20 0 BDADLO COC(=O)[C@](C)(CO)[NH2+]C[C@@H](C)C(C)(C)C ZINC000878700885 590611650 /nfs/dbraw/zinc/61/16/50/590611650.db2.gz VUVWIJFQMVWEIB-SKDRFNHKSA-N 1 2 231.336 1.182 20 0 BDADLO CCN(C#N)CC[N@@H+]1CCC=C(Cl)C1 ZINC000878790497 590622216 /nfs/dbraw/zinc/62/22/16/590622216.db2.gz SDJSGDXAEVIZND-UHFFFAOYSA-N 1 2 213.712 1.618 20 0 BDADLO CCN(C#N)CC[N@H+]1CCC=C(Cl)C1 ZINC000878790497 590622218 /nfs/dbraw/zinc/62/22/18/590622218.db2.gz SDJSGDXAEVIZND-UHFFFAOYSA-N 1 2 213.712 1.618 20 0 BDADLO Cn1c[nH+]cc1CN1CCC=C(Cl)C1 ZINC000878792695 590623221 /nfs/dbraw/zinc/62/32/21/590623221.db2.gz QSJSGVAZNCCLOX-UHFFFAOYSA-N 1 2 211.696 1.749 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878794077 590624008 /nfs/dbraw/zinc/62/40/08/590624008.db2.gz ZNYOUOIBBMONFW-JTQLQIEISA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878794077 590624010 /nfs/dbraw/zinc/62/40/10/590624010.db2.gz ZNYOUOIBBMONFW-JTQLQIEISA-N 1 2 244.766 1.976 20 0 BDADLO CC(C)(C)NC(=O)C[N@@H+]1CCC=C(Cl)C1 ZINC000878794103 590624279 /nfs/dbraw/zinc/62/42/79/590624279.db2.gz ZZXTYQAPXISUBH-UHFFFAOYSA-N 1 2 230.739 1.730 20 0 BDADLO CC(C)(C)NC(=O)C[N@H+]1CCC=C(Cl)C1 ZINC000878794103 590624280 /nfs/dbraw/zinc/62/42/80/590624280.db2.gz ZZXTYQAPXISUBH-UHFFFAOYSA-N 1 2 230.739 1.730 20 0 BDADLO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC000878967869 590662890 /nfs/dbraw/zinc/66/28/90/590662890.db2.gz KNZYRKCAZYECQX-OLZOCXBDSA-N 1 2 237.299 1.025 20 0 BDADLO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC000878967869 590662894 /nfs/dbraw/zinc/66/28/94/590662894.db2.gz KNZYRKCAZYECQX-OLZOCXBDSA-N 1 2 237.299 1.025 20 0 BDADLO COC(C[N@@H+]1CCC[C@@H]1c1ncccn1)OC ZINC000878979043 590666598 /nfs/dbraw/zinc/66/65/98/590666598.db2.gz UHAMLWFIRRLXRA-SNVBAGLBSA-N 1 2 237.303 1.232 20 0 BDADLO COC(C[N@H+]1CCC[C@@H]1c1ncccn1)OC ZINC000878979043 590666603 /nfs/dbraw/zinc/66/66/03/590666603.db2.gz UHAMLWFIRRLXRA-SNVBAGLBSA-N 1 2 237.303 1.232 20 0 BDADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cnc(C)cn1 ZINC000879186008 590709409 /nfs/dbraw/zinc/70/94/09/590709409.db2.gz WEKFMJUNSSCYES-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO Cc1n[nH]cc1C[N@H+](C)Cc1cnc(C)cn1 ZINC000879186008 590709413 /nfs/dbraw/zinc/70/94/13/590709413.db2.gz WEKFMJUNSSCYES-UHFFFAOYSA-N 1 2 231.303 1.449 20 0 BDADLO CCn1ncc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)n1 ZINC000879325428 590746007 /nfs/dbraw/zinc/74/60/07/590746007.db2.gz NHEJUKFRWQAQLC-ZYHUDNBSSA-N 1 2 238.335 1.297 20 0 BDADLO CCn1ncc(C[N@H+]2C[C@H](OC)CC[C@H]2C)n1 ZINC000879325428 590746012 /nfs/dbraw/zinc/74/60/12/590746012.db2.gz NHEJUKFRWQAQLC-ZYHUDNBSSA-N 1 2 238.335 1.297 20 0 BDADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC=C[C@H]1CO ZINC000879525538 590789689 /nfs/dbraw/zinc/78/96/89/590789689.db2.gz NKWJJKARXLLDLQ-NSHDSACASA-N 1 2 247.298 1.463 20 0 BDADLO Cc1nc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)no1 ZINC000879560878 590802859 /nfs/dbraw/zinc/80/28/59/590802859.db2.gz ZUWVKROGMUJMIC-ZJUUUORDSA-N 1 2 239.344 1.563 20 0 BDADLO Cc1nc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)no1 ZINC000879560878 590802861 /nfs/dbraw/zinc/80/28/61/590802861.db2.gz ZUWVKROGMUJMIC-ZJUUUORDSA-N 1 2 239.344 1.563 20 0 BDADLO FC[C@H]([NH2+]CC1OCCO1)c1ccc(F)cc1 ZINC000879660403 590845083 /nfs/dbraw/zinc/84/50/83/590845083.db2.gz PDQNDTOOBGCLQD-NSHDSACASA-N 1 2 243.253 1.799 20 0 BDADLO C[S@@](=N)(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000879943272 590893723 /nfs/dbraw/zinc/89/37/23/590893723.db2.gz WEWBUEFMWSXIQU-BZNIZROVSA-N 1 2 243.376 1.304 20 0 BDADLO CCC[NH2+][C@@H](Cc1cncs1)C(=O)OC ZINC000879991068 590904743 /nfs/dbraw/zinc/90/47/43/590904743.db2.gz CUNPDYJUSJAZNE-VIFPVBQESA-N 1 2 228.317 1.227 20 0 BDADLO COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H](C)C1 ZINC000128147960 590911481 /nfs/dbraw/zinc/91/14/81/590911481.db2.gz JXTWKIBSSXBZEO-HTQZYQBOSA-N 1 2 222.292 1.668 20 0 BDADLO COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H](C)C1 ZINC000128147960 590911482 /nfs/dbraw/zinc/91/14/82/590911482.db2.gz JXTWKIBSSXBZEO-HTQZYQBOSA-N 1 2 222.292 1.668 20 0 BDADLO C[C@H]1C[N@H+](CCF)CC[C@H](C(F)(F)F)O1 ZINC000880060761 590915161 /nfs/dbraw/zinc/91/51/61/590915161.db2.gz UCKDISQFTPXPSS-JGVFFNPUSA-N 1 2 229.217 1.998 20 0 BDADLO C[C@H]1C[N@@H+](CCF)CC[C@H](C(F)(F)F)O1 ZINC000880060761 590915164 /nfs/dbraw/zinc/91/51/64/590915164.db2.gz UCKDISQFTPXPSS-JGVFFNPUSA-N 1 2 229.217 1.998 20 0 BDADLO CCCn1c(C)nnc1C[NH+]1CCC(F)CC1 ZINC000880240369 590974278 /nfs/dbraw/zinc/97/42/78/590974278.db2.gz XDCMTXDKFKFNAL-UHFFFAOYSA-N 1 2 240.326 1.930 20 0 BDADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](CF)C2)no1 ZINC000880293646 590989623 /nfs/dbraw/zinc/98/96/23/590989623.db2.gz NGJDZXOZWUTKQL-VIFPVBQESA-N 1 2 227.283 1.984 20 0 BDADLO CC(C)c1nc(C[N@H+]2CC[C@@H](CF)C2)no1 ZINC000880293646 590989625 /nfs/dbraw/zinc/98/96/25/590989625.db2.gz NGJDZXOZWUTKQL-VIFPVBQESA-N 1 2 227.283 1.984 20 0 BDADLO CC(C)c1nnc(C[N@@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880299931 590996198 /nfs/dbraw/zinc/99/61/98/590996198.db2.gz MIKGVQCEHCEKSF-SECBINFHSA-N 1 2 226.299 1.720 20 0 BDADLO CC(C)c1nnc(C[N@H+]2CC[C@H](CF)C2)[nH]1 ZINC000880299931 590996200 /nfs/dbraw/zinc/99/62/00/590996200.db2.gz MIKGVQCEHCEKSF-SECBINFHSA-N 1 2 226.299 1.720 20 0 BDADLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000880307752 590999985 /nfs/dbraw/zinc/99/99/85/590999985.db2.gz UPIBDYIDIGRMEB-VIFPVBQESA-N 1 2 249.236 1.563 20 0 BDADLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000880307752 590999987 /nfs/dbraw/zinc/99/99/87/590999987.db2.gz UPIBDYIDIGRMEB-VIFPVBQESA-N 1 2 249.236 1.563 20 0 BDADLO Cc1nocc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000880446214 591047133 /nfs/dbraw/zinc/04/71/33/591047133.db2.gz TULNJUPKVGDMLX-SECBINFHSA-N 1 2 246.270 1.381 20 0 BDADLO CC[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)C(=O)OC ZINC000880513528 591082428 /nfs/dbraw/zinc/08/24/28/591082428.db2.gz CPEGNFDGWDGEQW-WZRBSPASSA-N 1 2 241.331 1.629 20 0 BDADLO Cn1c[nH+]c(Cn2cc([C@@H]3CCCCO3)nn2)c1 ZINC000881299587 591182940 /nfs/dbraw/zinc/18/29/40/591182940.db2.gz PJTYATKEFDTMFM-LBPRGKRZSA-N 1 2 247.302 1.302 20 0 BDADLO Cn1c[nH+]c(Cn2cc([C@H]3CCCCO3)nn2)c1 ZINC000881299586 591183474 /nfs/dbraw/zinc/18/34/74/591183474.db2.gz PJTYATKEFDTMFM-GFCCVEGCSA-N 1 2 247.302 1.302 20 0 BDADLO O=C(NC[C@H]1C=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000881495551 591218850 /nfs/dbraw/zinc/21/88/50/591218850.db2.gz LPBUHKHTXINQCC-NWDGAFQWSA-N 1 2 245.326 1.528 20 0 BDADLO CC1(C)C[C@]1(C)CNC(=O)CCn1cc[nH+]c1 ZINC000881541394 591233790 /nfs/dbraw/zinc/23/37/90/591233790.db2.gz NFUMCVITXYXOAM-CYBMUJFWSA-N 1 2 235.331 1.826 20 0 BDADLO O=C(CCn1cc[nH+]c1)N1CCC(F)CC1 ZINC000881608157 591255122 /nfs/dbraw/zinc/25/51/22/591255122.db2.gz IDDKWIZTUIOARH-UHFFFAOYSA-N 1 2 225.267 1.234 20 0 BDADLO Cc1ncnc(N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000881801377 591271497 /nfs/dbraw/zinc/27/14/97/591271497.db2.gz FRWGWLJBEYSEQL-VIFPVBQESA-N 1 2 231.303 1.791 20 0 BDADLO Cc1[nH+]cnc(NCC(=O)N2CCCCC2)c1C ZINC000881806953 591272246 /nfs/dbraw/zinc/27/22/46/591272246.db2.gz ZAPVXUDXDFVXFG-UHFFFAOYSA-N 1 2 248.330 1.518 20 0 BDADLO CO[C@@H](C)CCNc1nc[nH+]c(C)c1C ZINC000881905790 591277565 /nfs/dbraw/zinc/27/75/65/591277565.db2.gz WUTAQZPTCKRBPR-QMMMGPOBSA-N 1 2 209.293 1.930 20 0 BDADLO CNC(=O)[C@@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000881963596 591283884 /nfs/dbraw/zinc/28/38/84/591283884.db2.gz CFPDQJGCAJPEEQ-LLVKDONJSA-N 1 2 248.330 1.056 20 0 BDADLO Cc1[nH+]cnc(NCCC[S@@](C)=O)c1C ZINC000881962602 591284221 /nfs/dbraw/zinc/28/42/21/591284221.db2.gz GZSFUKOVRMPUBE-OAHLLOKOSA-N 1 2 227.333 1.274 20 0 BDADLO Cc1[nH+]cnc(NCCC[S@](C)=O)c1C ZINC000881962601 591284311 /nfs/dbraw/zinc/28/43/11/591284311.db2.gz GZSFUKOVRMPUBE-HNNXBMFYSA-N 1 2 227.333 1.274 20 0 BDADLO Cc1[nH+]cnc(NC[C@@]2(C)CCOC2)c1C ZINC000881980106 591284545 /nfs/dbraw/zinc/28/45/45/591284545.db2.gz BAIDTWBCYHRGCR-GFCCVEGCSA-N 1 2 221.304 1.932 20 0 BDADLO C[C@@](O)(CNc1cc(CO)cc[nH+]1)c1ccco1 ZINC000882019303 591288338 /nfs/dbraw/zinc/28/83/38/591288338.db2.gz LTZAXSYZDNMREO-CYBMUJFWSA-N 1 2 248.282 1.487 20 0 BDADLO CCn1cnnc1SCc1ccc[nH+]c1N ZINC000882082326 591294627 /nfs/dbraw/zinc/29/46/27/591294627.db2.gz MCISBWPWLOEZGQ-UHFFFAOYSA-N 1 2 235.316 1.568 20 0 BDADLO CCC(=O)N1CC[C@@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882096864 591297661 /nfs/dbraw/zinc/29/76/61/591297661.db2.gz PPISZFHTPOZBIH-LLVKDONJSA-N 1 2 248.330 1.516 20 0 BDADLO Cc1[nH+]cnc(N2CCC[C@H]([C@H](C)O)C2)c1C ZINC000882121449 591300777 /nfs/dbraw/zinc/30/07/77/591300777.db2.gz RYSFHUNAVZMXNC-RYUDHWBXSA-N 1 2 235.331 1.691 20 0 BDADLO Cc1[nH+]cnc(N2CC(C(C)(C)O)C2)c1C ZINC000882233966 591319156 /nfs/dbraw/zinc/31/91/56/591319156.db2.gz UWALGZMPCXEUQL-UHFFFAOYSA-N 1 2 221.304 1.301 20 0 BDADLO Cc1[nH+]cnc(NC[C@H](C)c2nncn2C)c1C ZINC000882240128 591319768 /nfs/dbraw/zinc/31/97/68/591319768.db2.gz VAHQSNODLBIPQI-QMMMGPOBSA-N 1 2 246.318 1.438 20 0 BDADLO Fc1c[nH+]ccc1N1CCO[C@H](C(F)F)C1 ZINC000882317191 591329045 /nfs/dbraw/zinc/32/90/45/591329045.db2.gz DFAAKSFEACJQAN-VIFPVBQESA-N 1 2 232.205 1.691 20 0 BDADLO Cc1[nH+]cnc(NCCc2csc(N)n2)c1C ZINC000882348111 591336246 /nfs/dbraw/zinc/33/62/46/591336246.db2.gz WJAQZRBUIVFPFN-UHFFFAOYSA-N 1 2 249.343 1.787 20 0 BDADLO Cc1nnc([C@@H](C)Nc2nc[nH+]c(C)c2C)[nH]1 ZINC000882359471 591337722 /nfs/dbraw/zinc/33/77/22/591337722.db2.gz YONFMXOHLMNCMU-MRVPVSSYSA-N 1 2 232.291 1.693 20 0 BDADLO Cc1[nH+]cnc(NCCCc2cnn(C)n2)c1C ZINC000882401406 591343197 /nfs/dbraw/zinc/34/31/97/591343197.db2.gz WNAYCRXKXQWYMZ-UHFFFAOYSA-N 1 2 246.318 1.267 20 0 BDADLO Cc1cnc(C)c(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000882407333 591343608 /nfs/dbraw/zinc/34/36/08/591343608.db2.gz MZYPHLXFLCLDLO-SNVBAGLBSA-N 1 2 229.287 1.847 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000882491797 591368570 /nfs/dbraw/zinc/36/85/70/591368570.db2.gz MEMBKONVIMLWFV-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC000882491797 591368575 /nfs/dbraw/zinc/36/85/75/591368575.db2.gz MEMBKONVIMLWFV-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491797 591368580 /nfs/dbraw/zinc/36/85/80/591368580.db2.gz MEMBKONVIMLWFV-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC000882491797 591368585 /nfs/dbraw/zinc/36/85/85/591368585.db2.gz MEMBKONVIMLWFV-RNFRBKRXSA-N 1 2 242.216 1.097 20 0 BDADLO OCc1cc[nH+]c(N[C@@H]2COC3(CCC3)C2)c1 ZINC000882616836 591400134 /nfs/dbraw/zinc/40/01/34/591400134.db2.gz MXGQZUPMMQZQDF-NSHDSACASA-N 1 2 234.299 1.697 20 0 BDADLO CC(C)(Nc1ncc(C=O)cn1)c1[nH]cc[nH+]1 ZINC000882625512 591402850 /nfs/dbraw/zinc/40/28/50/591402850.db2.gz BKBLYXDQOHTUNV-UHFFFAOYSA-N 1 2 231.259 1.359 20 0 BDADLO Fc1c[nH+]ccc1N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000882682425 591411643 /nfs/dbraw/zinc/41/16/43/591411643.db2.gz YBUWCHSZNYPUBL-LGTSKVTRSA-N 1 2 234.274 1.478 20 0 BDADLO C[C@H](Nc1cc[nH+]cc1F)c1nnnn1C1CC1 ZINC000882692156 591412996 /nfs/dbraw/zinc/41/29/96/591412996.db2.gz BOXZCDQVJOTOIX-ZETCQYMHSA-N 1 2 248.265 1.137 20 0 BDADLO O[C@@H](CCNc1cc[nH+]cc1F)C1CCCC1 ZINC000882707938 591415857 /nfs/dbraw/zinc/41/58/57/591415857.db2.gz IPNSJPQVIIMVOP-ZDUSSCGKSA-N 1 2 238.306 1.996 20 0 BDADLO CCc1ccc(NC(=O)CCn2cc[nH+]c2)nc1 ZINC000882717628 591419579 /nfs/dbraw/zinc/41/95/79/591419579.db2.gz FZJBJNUAMCMJPF-UHFFFAOYSA-N 1 2 244.298 1.869 20 0 BDADLO CCCNC(=O)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882880165 591461846 /nfs/dbraw/zinc/46/18/46/591461846.db2.gz FDOMAVSFLLWZSC-UHFFFAOYSA-N 1 2 238.335 1.149 20 0 BDADLO CCCNc1cc(N(CC)CCOC)nc[nH+]1 ZINC000130515995 591475997 /nfs/dbraw/zinc/47/59/97/591475997.db2.gz VZVVLJUQFNOBCW-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CCCNc1cc(N(CC)CCOC)[nH+]cn1 ZINC000130515995 591476001 /nfs/dbraw/zinc/47/60/01/591476001.db2.gz VZVVLJUQFNOBCW-UHFFFAOYSA-N 1 2 238.335 1.771 20 0 BDADLO CC(C)c1nc(N2C[C@H]3C[C@@]3(O)C2)cc[nH+]1 ZINC000882934386 591478019 /nfs/dbraw/zinc/47/80/19/591478019.db2.gz GXUWXNXBCXXNEJ-BXKDBHETSA-N 1 2 219.288 1.171 20 0 BDADLO Cc1cc(N2CC=C[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000882976996 591490122 /nfs/dbraw/zinc/49/01/22/591490122.db2.gz UNRAOMJGGDQYFJ-LLVKDONJSA-N 1 2 231.299 1.400 20 0 BDADLO COc1ccc(Cl)cc1CO[NH+]=C(N)CO ZINC000883010612 591511785 /nfs/dbraw/zinc/51/17/85/591511785.db2.gz VCTCCRVLIVCXMI-UHFFFAOYSA-N 1 2 244.678 1.339 20 0 BDADLO CC(C)(C)OCCCCO[NH+]=C(N)CO ZINC000883012657 591512711 /nfs/dbraw/zinc/51/27/11/591512711.db2.gz NKHATWMHLIOVGQ-UHFFFAOYSA-N 1 2 218.297 1.072 20 0 BDADLO NC(CO)=[NH+]OCCc1c(F)cccc1Cl ZINC000883012010 591512801 /nfs/dbraw/zinc/51/28/01/591512801.db2.gz PZLOZXJJZFQICV-UHFFFAOYSA-N 1 2 246.669 1.512 20 0 BDADLO Cc1ccc(CO[NH+]=C(N)CO)cc1C ZINC000883012471 591512889 /nfs/dbraw/zinc/51/28/89/591512889.db2.gz HQPHSIGEYTYJBX-UHFFFAOYSA-N 1 2 208.261 1.294 20 0 BDADLO NC(CO)=[NH+]OCC[C@H]1CCc2ccccc21 ZINC000883013349 591514917 /nfs/dbraw/zinc/51/49/17/591514917.db2.gz LPQSJVROSAQHSL-LLVKDONJSA-N 1 2 234.299 1.597 20 0 BDADLO CCONC(=O)C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000883158657 591555299 /nfs/dbraw/zinc/55/52/99/591555299.db2.gz NMVMWWJHWYIVOS-GHMZBOCLSA-N 1 2 228.336 1.613 20 0 BDADLO CCONC(=O)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883158513 591556482 /nfs/dbraw/zinc/55/64/82/591556482.db2.gz IGRKAZHVNFCJKN-URLYPYJESA-N 1 2 226.320 1.222 20 0 BDADLO Cc1c[nH]c(CNC2(c3ncccn3)CCC2)[nH+]1 ZINC000883304955 591611252 /nfs/dbraw/zinc/61/12/52/591611252.db2.gz KYQLKRHRUHGDLN-UHFFFAOYSA-N 1 2 243.314 1.677 20 0 BDADLO Cn1cc[nH+]c1CNC(=O)N1CCC(F)CC1 ZINC000883322446 591616592 /nfs/dbraw/zinc/61/65/92/591616592.db2.gz GNDYAMYSYBSAEY-UHFFFAOYSA-N 1 2 240.282 1.064 20 0 BDADLO C[S@@](=O)CCNc1nc[nH+]c2c1CCCC2 ZINC000131601928 591627250 /nfs/dbraw/zinc/62/72/50/591627250.db2.gz NONPTYQITKUKRT-INIZCTEOSA-N 1 2 239.344 1.146 20 0 BDADLO C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000134361381 591921965 /nfs/dbraw/zinc/92/19/65/591921965.db2.gz QBEVMIMVCFCCKF-MCIGGMRASA-N 1 2 240.347 1.314 20 0 BDADLO C[N@H+]1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000134361381 591921966 /nfs/dbraw/zinc/92/19/66/591921966.db2.gz QBEVMIMVCFCCKF-MCIGGMRASA-N 1 2 240.347 1.314 20 0 BDADLO CCc1nc(N(C)CCOCCOC)cc[nH+]1 ZINC000884510429 591961096 /nfs/dbraw/zinc/96/10/96/591961096.db2.gz GJZMIXCNARWRTK-UHFFFAOYSA-N 1 2 239.319 1.138 20 0 BDADLO CCc1nc(NCCc2nccnc2C)cc[nH+]1 ZINC000884516183 591963066 /nfs/dbraw/zinc/96/30/66/591963066.db2.gz DPWRUYOQAODGNF-UHFFFAOYSA-N 1 2 243.314 1.792 20 0 BDADLO CCc1nc(N2CC[C@](C)(COC)C2)cc[nH+]1 ZINC000884518800 591964147 /nfs/dbraw/zinc/96/41/47/591964147.db2.gz ZYXIEBVLMPYNIC-ZDUSSCGKSA-N 1 2 235.331 1.902 20 0 BDADLO CCc1nc(NCC2=CCOCC2)cc[nH+]1 ZINC000884518286 591964298 /nfs/dbraw/zinc/96/42/98/591964298.db2.gz KOGQDMFMEWWTKQ-UHFFFAOYSA-N 1 2 219.288 1.798 20 0 BDADLO CCc1nc(N2CCO[C@@H](CF)C2)cc[nH+]1 ZINC000884529607 591968141 /nfs/dbraw/zinc/96/81/41/591968141.db2.gz RSCNRQMGCUCVCL-VIFPVBQESA-N 1 2 225.267 1.214 20 0 BDADLO CCc1nc(N[C@@H](CO)c2cccnc2)cc[nH+]1 ZINC000884533789 591969928 /nfs/dbraw/zinc/96/99/28/591969928.db2.gz QWEZQDKUNDKBLQ-NSHDSACASA-N 1 2 244.298 1.580 20 0 BDADLO CCc1nc(N2C[C@@H](C)[C@H](C(=O)OC)C2)cc[nH+]1 ZINC000884540877 591971168 /nfs/dbraw/zinc/97/11/68/591971168.db2.gz ODFLTMRKAIBVNP-NXEZZACHSA-N 1 2 249.314 1.284 20 0 BDADLO CCc1nc(N[C@H]2C[C@H](C)n3ncnc32)cc[nH+]1 ZINC000884552480 591977675 /nfs/dbraw/zinc/97/76/75/591977675.db2.gz BGTVSGNXLQPGIS-IUCAKERBSA-N 1 2 244.302 1.748 20 0 BDADLO CCc1nc(N2CC[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000884559407 591979384 /nfs/dbraw/zinc/97/93/84/591979384.db2.gz UEHLYNAWWMDXRT-UWVGGRQHSA-N 1 2 203.289 1.885 20 0 BDADLO CCc1nc(N2CCC[C@@H]2COC)cc[nH+]1 ZINC000884565103 591982448 /nfs/dbraw/zinc/98/24/48/591982448.db2.gz AEGHWCMOGNDDKG-SNVBAGLBSA-N 1 2 221.304 1.654 20 0 BDADLO Cc1c[nH]nc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000884566581 591982966 /nfs/dbraw/zinc/98/29/66/591982966.db2.gz OMZCBHFRPCOJML-JTQLQIEISA-N 1 2 248.286 1.609 20 0 BDADLO CCc1nc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc[nH+]1 ZINC000884570636 591984215 /nfs/dbraw/zinc/98/42/15/591984215.db2.gz UJNUEZCIUGGRNS-UHEDFLHXSA-N 1 2 245.326 1.874 20 0 BDADLO CC[C@H]1COCC[N@@H+]1CCNc1ncc(C)o1 ZINC000884579728 591986514 /nfs/dbraw/zinc/98/65/14/591986514.db2.gz HPJRLMOQDIVSPY-NSHDSACASA-N 1 2 239.319 1.506 20 0 BDADLO CC[C@H]1COCC[N@H+]1CCNc1ncc(C)o1 ZINC000884579728 591986515 /nfs/dbraw/zinc/98/65/15/591986515.db2.gz HPJRLMOQDIVSPY-NSHDSACASA-N 1 2 239.319 1.506 20 0 BDADLO Cc1coc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000884709818 592013216 /nfs/dbraw/zinc/01/32/16/592013216.db2.gz QAUDNXHMTDGKBA-UHFFFAOYSA-N 1 2 234.255 1.721 20 0 BDADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890235852 592015585 /nfs/dbraw/zinc/01/55/85/592015585.db2.gz ACRHMULRRMSNRI-GVXVVHGQSA-N 1 2 247.342 1.989 20 0 BDADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890235852 592015587 /nfs/dbraw/zinc/01/55/87/592015587.db2.gz ACRHMULRRMSNRI-GVXVVHGQSA-N 1 2 247.342 1.989 20 0 BDADLO CCc1cc(N[C@H](CCO)C(F)(F)F)nc[nH+]1 ZINC000884834243 592024558 /nfs/dbraw/zinc/02/45/58/592024558.db2.gz UAHVYFLVKAKVAT-MRVPVSSYSA-N 1 2 249.236 1.764 20 0 BDADLO Cc1cc(N[C@@H](CCO)C(F)(F)F)nc[nH+]1 ZINC000884834028 592024625 /nfs/dbraw/zinc/02/46/25/592024625.db2.gz RAMPCZJXISGERH-ZETCQYMHSA-N 1 2 235.209 1.510 20 0 BDADLO O=C(OCCn1cc[nH+]c1)C1(C2CC2)CC1 ZINC000885733484 592096322 /nfs/dbraw/zinc/09/63/22/592096322.db2.gz VWXMMZPKEREVPZ-UHFFFAOYSA-N 1 2 220.272 1.617 20 0 BDADLO C[N@H+](Cc1nccs1)C[C@](C)(O)C(F)F ZINC000886031015 592136487 /nfs/dbraw/zinc/13/64/87/592136487.db2.gz ZRZPSDKJYUPMQU-VIFPVBQESA-N 1 2 236.287 1.591 20 0 BDADLO C[N@@H+](Cc1nccs1)C[C@](C)(O)C(F)F ZINC000886031015 592136489 /nfs/dbraw/zinc/13/64/89/592136489.db2.gz ZRZPSDKJYUPMQU-VIFPVBQESA-N 1 2 236.287 1.591 20 0 BDADLO Cc1coc(C[NH2+]Cc2ccnc(N(C)C)n2)c1 ZINC000886057588 592140874 /nfs/dbraw/zinc/14/08/74/592140874.db2.gz QWLDTMCORXDXKE-UHFFFAOYSA-N 1 2 246.314 1.734 20 0 BDADLO Cc1coc(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000886087272 592145079 /nfs/dbraw/zinc/14/50/79/592145079.db2.gz REUIYEIFQFETFX-SECBINFHSA-N 1 2 220.276 1.567 20 0 BDADLO Cc1nc(C[N@H+](C)C[C@H]2C[C@@]23CCOC3)no1 ZINC000886116641 592157244 /nfs/dbraw/zinc/15/72/44/592157244.db2.gz MNOJYXWNQSCGKT-ZYHUDNBSSA-N 1 2 237.303 1.236 20 0 BDADLO Cc1nc(C[N@@H+](C)C[C@H]2C[C@@]23CCOC3)no1 ZINC000886116641 592157247 /nfs/dbraw/zinc/15/72/47/592157247.db2.gz MNOJYXWNQSCGKT-ZYHUDNBSSA-N 1 2 237.303 1.236 20 0 BDADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886181483 592170385 /nfs/dbraw/zinc/17/03/85/592170385.db2.gz MTWJNCLNSABCMF-ADEWGFFLSA-N 1 2 241.331 1.437 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886181483 592170388 /nfs/dbraw/zinc/17/03/88/592170388.db2.gz MTWJNCLNSABCMF-ADEWGFFLSA-N 1 2 241.331 1.437 20 0 BDADLO OC[C@]1(F)CC[N@H+](CCSC(F)(F)F)C1 ZINC000886193918 592173557 /nfs/dbraw/zinc/17/35/57/592173557.db2.gz FFTMFGZXHAXBLA-ZETCQYMHSA-N 1 2 247.257 1.646 20 0 BDADLO OC[C@]1(F)CC[N@@H+](CCSC(F)(F)F)C1 ZINC000886193918 592173559 /nfs/dbraw/zinc/17/35/59/592173559.db2.gz FFTMFGZXHAXBLA-ZETCQYMHSA-N 1 2 247.257 1.646 20 0 BDADLO CCO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886334250 592211463 /nfs/dbraw/zinc/21/14/63/592211463.db2.gz SYBUVIILRGNXRM-BBBLOLIVSA-N 1 2 237.303 1.619 20 0 BDADLO CCO[C@H](C)c1noc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886334250 592211465 /nfs/dbraw/zinc/21/14/65/592211465.db2.gz SYBUVIILRGNXRM-BBBLOLIVSA-N 1 2 237.303 1.619 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344409 592212026 /nfs/dbraw/zinc/21/20/26/592212026.db2.gz DLHBKSAYOYOUMD-TUAOUCFPSA-N 1 2 232.283 1.247 20 0 BDADLO COC(=O)[C@H](c1cccnc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344409 592212029 /nfs/dbraw/zinc/21/20/29/592212029.db2.gz DLHBKSAYOYOUMD-TUAOUCFPSA-N 1 2 232.283 1.247 20 0 BDADLO Cc1c[nH]c(CN[C@@H](CCO)C(F)(F)F)[nH+]1 ZINC000886370034 592220467 /nfs/dbraw/zinc/22/04/67/592220467.db2.gz UURYXXDJUUTDJQ-ZETCQYMHSA-N 1 2 237.225 1.121 20 0 BDADLO CCn1cc(Cl)c(NCc2cn(C)c[nH+]2)n1 ZINC000886368143 592220916 /nfs/dbraw/zinc/22/09/16/592220916.db2.gz DIKVKLYEIAQRIQ-UHFFFAOYSA-N 1 2 239.710 1.902 20 0 BDADLO Fc1ccc(C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886452845 592226618 /nfs/dbraw/zinc/22/66/18/592226618.db2.gz QZTFBULXQSWJNX-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO Fc1ccc(C[N@H+]2CCCn3nncc3C2)cc1 ZINC000886452845 592226621 /nfs/dbraw/zinc/22/66/21/592226621.db2.gz QZTFBULXQSWJNX-UHFFFAOYSA-N 1 2 246.289 1.823 20 0 BDADLO Cc1[nH]c(CN2CCCn3nncc3C2)[nH+]c1C ZINC000886468875 592229867 /nfs/dbraw/zinc/22/98/67/592229867.db2.gz URBVCUHGWUCNSP-UHFFFAOYSA-N 1 2 246.318 1.024 20 0 BDADLO Cc1nc(C[N@@H+]2CCCn3nncc3C2)[nH]c1C ZINC000886468875 592229869 /nfs/dbraw/zinc/22/98/69/592229869.db2.gz URBVCUHGWUCNSP-UHFFFAOYSA-N 1 2 246.318 1.024 20 0 BDADLO Cc1nc(C[N@H+]2CCCn3nncc3C2)[nH]c1C ZINC000886468875 592229870 /nfs/dbraw/zinc/22/98/70/592229870.db2.gz URBVCUHGWUCNSP-UHFFFAOYSA-N 1 2 246.318 1.024 20 0 BDADLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ncco1 ZINC000886528737 592247127 /nfs/dbraw/zinc/24/71/27/592247127.db2.gz QAVGRCHIOCHELT-SECBINFHSA-N 1 2 237.303 1.384 20 0 BDADLO CC(C)[C@H]([NH2+]Cc1ncnn1C)c1cnn(C)c1 ZINC000886534739 592250303 /nfs/dbraw/zinc/25/03/03/592250303.db2.gz NQSKVOVROQTFCI-LBPRGKRZSA-N 1 2 248.334 1.036 20 0 BDADLO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ncco1 ZINC000886540950 592253694 /nfs/dbraw/zinc/25/36/94/592253694.db2.gz NGWCUQVURZPJPD-ONGXEEELSA-N 1 2 249.314 1.479 20 0 BDADLO CCCC(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886628794 592281544 /nfs/dbraw/zinc/28/15/44/592281544.db2.gz DQMUQORAVKEDDK-UHFFFAOYSA-N 1 2 221.304 1.588 20 0 BDADLO O=C(CCNc1cccc[nH+]1)N1CCCCC1 ZINC000076840092 592318031 /nfs/dbraw/zinc/31/80/31/592318031.db2.gz ZGWUKCSQIAPXPV-UHFFFAOYSA-N 1 2 233.315 1.896 20 0 BDADLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCSC ZINC000886945988 592400132 /nfs/dbraw/zinc/40/01/32/592400132.db2.gz FPXROHAKBHOBMZ-UWVGGRQHSA-N 1 2 247.360 1.050 20 0 BDADLO C[C@@H](CC(=O)N[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC000887032402 592426035 /nfs/dbraw/zinc/42/60/35/592426035.db2.gz SZDXWQRLVHMEQF-DMDPSCGWSA-N 1 2 233.315 1.893 20 0 BDADLO CSC[C@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887102607 592442743 /nfs/dbraw/zinc/44/27/43/592442743.db2.gz XDWZCAMCMGSGMU-SECBINFHSA-N 1 2 239.331 1.830 20 0 BDADLO CSC[C@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887102607 592442746 /nfs/dbraw/zinc/44/27/46/592442746.db2.gz XDWZCAMCMGSGMU-SECBINFHSA-N 1 2 239.331 1.830 20 0 BDADLO C[N@H+](CCCF)Cc1nnc(C(C)(C)C)[nH]1 ZINC000887142768 592459120 /nfs/dbraw/zinc/45/91/20/592459120.db2.gz ZBYLXDUMTOQVRO-UHFFFAOYSA-N 1 2 228.315 1.894 20 0 BDADLO C[N@@H+](CCCF)Cc1nnc(C(C)(C)C)[nH]1 ZINC000887142768 592459121 /nfs/dbraw/zinc/45/91/21/592459121.db2.gz ZBYLXDUMTOQVRO-UHFFFAOYSA-N 1 2 228.315 1.894 20 0 BDADLO Cc1oc(NC(=O)C[NH+]2CCCC2)nc1C1CC1 ZINC000887241052 592470393 /nfs/dbraw/zinc/47/03/93/592470393.db2.gz BQBIOOZWFDKBDE-UHFFFAOYSA-N 1 2 249.314 1.895 20 0 BDADLO CCC[N@@H+]1CC(=O)N[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329738 592481888 /nfs/dbraw/zinc/48/18/88/592481888.db2.gz OBZSJUXDJMKFGE-PJXYFTJBSA-N 1 2 222.332 1.735 20 0 BDADLO CCC[N@H+]1CC(=O)N[C@@]12C[C@@H]1CC[C@@H](C1)C2 ZINC000887329738 592481890 /nfs/dbraw/zinc/48/18/90/592481890.db2.gz OBZSJUXDJMKFGE-PJXYFTJBSA-N 1 2 222.332 1.735 20 0 BDADLO CC(C)(CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000887368340 592493943 /nfs/dbraw/zinc/49/39/43/592493943.db2.gz FPQJIGMWTWCFIN-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CC(C)(CNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000887368340 592493944 /nfs/dbraw/zinc/49/39/44/592493944.db2.gz FPQJIGMWTWCFIN-UHFFFAOYSA-N 1 2 221.304 1.505 20 0 BDADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000300582876 592515538 /nfs/dbraw/zinc/51/55/38/592515538.db2.gz BQNGDDWTIIOZDK-BBBLOLIVSA-N 1 2 237.303 1.402 20 0 BDADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000889601955 592626392 /nfs/dbraw/zinc/62/63/92/592626392.db2.gz AEOPBBFZHIMTPQ-ZMLRMANQSA-N 1 2 233.315 1.267 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889613302 592630012 /nfs/dbraw/zinc/63/00/12/592630012.db2.gz YKQSWOYLLPGCAD-VCDKRKBESA-N 1 2 247.342 1.893 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889613302 592630015 /nfs/dbraw/zinc/63/00/15/592630015.db2.gz YKQSWOYLLPGCAD-VCDKRKBESA-N 1 2 247.342 1.893 20 0 BDADLO C[C@@H](Cc1cccnc1)NC(=O)Cn1cc[nH+]c1 ZINC000889664711 592640624 /nfs/dbraw/zinc/64/06/24/592640624.db2.gz WSOLGBVZHOELQO-NSHDSACASA-N 1 2 244.298 1.026 20 0 BDADLO C[C@@H](Cc1cccnc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000889677031 592642303 /nfs/dbraw/zinc/64/23/03/592642303.db2.gz MXHSUIUONVVOHF-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO C[C@@H](Cc1cccnc1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000889677031 592642304 /nfs/dbraw/zinc/64/23/04/592642304.db2.gz MXHSUIUONVVOHF-JTQLQIEISA-N 1 2 244.298 1.095 20 0 BDADLO C[C@@H]1CSCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000889927024 592662375 /nfs/dbraw/zinc/66/23/75/592662375.db2.gz LPEWCMCCPDAHQJ-SECBINFHSA-N 1 2 239.344 1.306 20 0 BDADLO CC[C@H](SC)C(=O)NCc1cn(C)c[nH+]1 ZINC000890109673 592674021 /nfs/dbraw/zinc/67/40/21/592674021.db2.gz FELADFUFFSTWFX-VIFPVBQESA-N 1 2 227.333 1.178 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000890104060 592679752 /nfs/dbraw/zinc/67/97/52/592679752.db2.gz HGYONYSICGCHAJ-ZDUSSCGKSA-N 1 2 233.315 1.783 20 0 BDADLO Cn1c[nH+]c(CNC(=O)c2cnc(C3CC3)o2)c1 ZINC000890104533 592679795 /nfs/dbraw/zinc/67/97/95/592679795.db2.gz ZMBZWWRZHVJMHP-UHFFFAOYSA-N 1 2 246.270 1.216 20 0 BDADLO Cn1c[nH+]c(CNC(=O)[C@@H]2CCC2(C)C)c1 ZINC000890103047 592680317 /nfs/dbraw/zinc/68/03/17/592680317.db2.gz FMBZZAWOBPGDTG-JTQLQIEISA-N 1 2 221.304 1.473 20 0 BDADLO CC[C@@H]1CCC[C@H]1C(=O)NCc1cn(C)c[nH+]1 ZINC000890107087 592681058 /nfs/dbraw/zinc/68/10/58/592681058.db2.gz HUXYXUSCVBJNDJ-ZYHUDNBSSA-N 1 2 235.331 1.863 20 0 BDADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1cn(C)c[nH+]1 ZINC000890106798 592681308 /nfs/dbraw/zinc/68/13/08/592681308.db2.gz DPKJUPWVUAVLRR-UWVGGRQHSA-N 1 2 249.314 1.042 20 0 BDADLO CCC[C@H](C)C(=O)NCc1cn(C)c[nH+]1 ZINC000890113757 592684565 /nfs/dbraw/zinc/68/45/65/592684565.db2.gz OQHLIYHQRFAWIG-VIFPVBQESA-N 1 2 209.293 1.473 20 0 BDADLO Cn1c[nH+]c(CNC(=O)C2=CCCC2)c1 ZINC000890110563 592684639 /nfs/dbraw/zinc/68/46/39/592684639.db2.gz QKOQHWULWACFKE-UHFFFAOYSA-N 1 2 205.261 1.147 20 0 BDADLO C[C@H]1CCC[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890113966 592684694 /nfs/dbraw/zinc/68/46/94/592684694.db2.gz RRNCSHMSPYDXBI-WDEREUQCSA-N 1 2 235.331 1.863 20 0 BDADLO Cc1ccc(C(=O)NCc2cn(C)c[nH+]2)s1 ZINC000890119577 592685921 /nfs/dbraw/zinc/68/59/21/592685921.db2.gz JCCSJMPXMYKFSA-UHFFFAOYSA-N 1 2 235.312 1.720 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CCc2ccccc2)c1 ZINC000890120257 592686400 /nfs/dbraw/zinc/68/64/00/592686400.db2.gz XXSHNXLAKSGEKA-UHFFFAOYSA-N 1 2 243.310 1.669 20 0 BDADLO Cn1c[nH+]c(CNC(=O)CSC(C)(C)C)c1 ZINC000890120207 592686523 /nfs/dbraw/zinc/68/65/23/592686523.db2.gz XABUGTVDFCGTTM-UHFFFAOYSA-N 1 2 241.360 1.568 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCOC12CCCC2 ZINC000890410139 592697331 /nfs/dbraw/zinc/69/73/31/592697331.db2.gz LXMINPSEGHJELG-JTQLQIEISA-N 1 2 249.314 1.170 20 0 BDADLO Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)[O-])C1 ZINC000738371044 599924506 /nfs/dbraw/zinc/92/45/06/599924506.db2.gz RMCSYAJBAMJVEN-NSHDSACASA-N 1 2 237.303 1.303 20 0 BDADLO Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000738371044 599924509 /nfs/dbraw/zinc/92/45/09/599924509.db2.gz RMCSYAJBAMJVEN-NSHDSACASA-N 1 2 237.303 1.303 20 0 BDADLO C[C@H](C(=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000381513346 601325993 /nfs/dbraw/zinc/32/59/93/601325993.db2.gz RRYKQJFKCDBTKW-MRVPVSSYSA-N 1 2 223.276 1.062 20 0 BDADLO CC[C@]1(C)CN(c2nccn3c[nH+]cc23)CCO1 ZINC000893395570 634392881 /nfs/dbraw/zinc/39/28/81/634392881.db2.gz OLEGLAJCCIKHSJ-CYBMUJFWSA-N 1 2 246.314 1.735 20 0 BDADLO COc1ccc[nH+]c1N[C@H]1COCC1(C)C ZINC000313027963 634442093 /nfs/dbraw/zinc/44/20/93/634442093.db2.gz URIPAUCWBMEOQF-JTQLQIEISA-N 1 2 222.288 1.927 20 0 BDADLO C[C@H](c1nc([C@H](C)[C@H]2CCCO2)no1)[NH+](C)C ZINC000924175322 634571476 /nfs/dbraw/zinc/57/14/76/634571476.db2.gz OZQVWZMIXNAEQJ-OPRDCNLKSA-N 1 2 239.319 1.975 20 0 BDADLO CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)C(F)F)C1 ZINC001009815110 634588744 /nfs/dbraw/zinc/58/87/44/634588744.db2.gz MXPCQUNEAZBBMQ-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)C(F)F)C1 ZINC001009815110 634588753 /nfs/dbraw/zinc/58/87/53/634588753.db2.gz MXPCQUNEAZBBMQ-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ncccn1 ZINC000931570862 634602188 /nfs/dbraw/zinc/60/21/88/634602188.db2.gz NRAVJMRQCZMQQT-QWRGUYRKSA-N 1 2 243.314 1.859 20 0 BDADLO CCn1cc(C[NH2+]Cc2cc[nH]n2)c(C)n1 ZINC000020349911 635446120 /nfs/dbraw/zinc/44/61/20/635446120.db2.gz LCVGAMLPSAOXGE-UHFFFAOYSA-N 1 2 219.292 1.224 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ncc[nH]1 ZINC000235528837 635579868 /nfs/dbraw/zinc/57/98/68/635579868.db2.gz FJFHKBFPTBAXMR-IUCAKERBSA-N 1 2 219.292 1.555 20 0 BDADLO CC[N@H+](CCF)C[C@@H](O)C(F)(F)F ZINC000308419118 631276368 /nfs/dbraw/zinc/27/63/68/631276368.db2.gz ODSIPYFPKSMRHO-ZCFIWIBFSA-N 1 2 203.179 1.201 20 0 BDADLO CC[N@@H+](CCF)C[C@@H](O)C(F)(F)F ZINC000308419118 631276374 /nfs/dbraw/zinc/27/63/74/631276374.db2.gz ODSIPYFPKSMRHO-ZCFIWIBFSA-N 1 2 203.179 1.201 20 0 BDADLO Nc1ccc(CNC(=O)C[C@H]2CCCCO2)c[nH+]1 ZINC000308381570 631313708 /nfs/dbraw/zinc/31/37/08/631313708.db2.gz VQQBZIMIHQCUSJ-LLVKDONJSA-N 1 2 249.314 1.239 20 0 BDADLO C[N@H+](CCO)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891446277 631319362 /nfs/dbraw/zinc/31/93/62/631319362.db2.gz VQPUUHOPFASJAF-UHFFFAOYSA-N 1 2 229.711 1.365 20 0 BDADLO C[N@@H+](CCO)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891446277 631319370 /nfs/dbraw/zinc/31/93/70/631319370.db2.gz VQPUUHOPFASJAF-UHFFFAOYSA-N 1 2 229.711 1.365 20 0 BDADLO C[N@H+](CCCO)Cc1occc1Br ZINC000308406237 631324228 /nfs/dbraw/zinc/32/42/28/631324228.db2.gz JWQZAXODYRKTHQ-UHFFFAOYSA-N 1 2 248.120 1.856 20 0 BDADLO C[N@@H+](CCCO)Cc1occc1Br ZINC000308406237 631324235 /nfs/dbraw/zinc/32/42/35/631324235.db2.gz JWQZAXODYRKTHQ-UHFFFAOYSA-N 1 2 248.120 1.856 20 0 BDADLO Cc1nnc(C[NH2+]C2([C@H]3CCCCO3)CC2)o1 ZINC000933375203 631341471 /nfs/dbraw/zinc/34/14/71/631341471.db2.gz HCNNLKBKJAMVJO-SNVBAGLBSA-N 1 2 237.303 1.569 20 0 BDADLO Cc1cnc(C[N@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933399556 631362377 /nfs/dbraw/zinc/36/23/77/631362377.db2.gz TYIRJCWGGZZEQG-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO Cc1cnc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cn1 ZINC000933399556 631362380 /nfs/dbraw/zinc/36/23/80/631362380.db2.gz TYIRJCWGGZZEQG-UHFFFAOYSA-N 1 2 244.298 1.518 20 0 BDADLO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCNC1=O ZINC000178207930 631420328 /nfs/dbraw/zinc/42/03/28/631420328.db2.gz QYNPMXAOZPLJMR-VIFPVBQESA-N 1 2 239.706 1.055 20 0 BDADLO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCNC1=O ZINC000178207930 631420332 /nfs/dbraw/zinc/42/03/32/631420332.db2.gz QYNPMXAOZPLJMR-VIFPVBQESA-N 1 2 239.706 1.055 20 0 BDADLO CCOCC[N@H+](C)CN1CCSC1=O ZINC000092885474 631563023 /nfs/dbraw/zinc/56/30/23/631563023.db2.gz MJNQTALCZYMXHM-UHFFFAOYSA-N 1 2 218.322 1.081 20 0 BDADLO CCOCC[N@@H+](C)CN1CCSC1=O ZINC000092885474 631563032 /nfs/dbraw/zinc/56/30/32/631563032.db2.gz MJNQTALCZYMXHM-UHFFFAOYSA-N 1 2 218.322 1.081 20 0 BDADLO OC[C@H]1CC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000934014024 631596617 /nfs/dbraw/zinc/59/66/17/631596617.db2.gz JOBSSQCUGYPLSQ-CYBMUJFWSA-N 1 2 243.310 1.439 20 0 BDADLO OC[C@H]1CC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000934014024 631596630 /nfs/dbraw/zinc/59/66/30/631596630.db2.gz JOBSSQCUGYPLSQ-CYBMUJFWSA-N 1 2 243.310 1.439 20 0 BDADLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H]1CO ZINC000934025311 631602627 /nfs/dbraw/zinc/60/26/27/631602627.db2.gz FJSRFRYMYWSUIH-PWSUYJOCSA-N 1 2 234.299 1.080 20 0 BDADLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H]1CO ZINC000934025311 631602633 /nfs/dbraw/zinc/60/26/33/631602633.db2.gz FJSRFRYMYWSUIH-PWSUYJOCSA-N 1 2 234.299 1.080 20 0 BDADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H]2CO)s1 ZINC000934026715 631605025 /nfs/dbraw/zinc/60/50/25/631605025.db2.gz NHBRKUKHZSAJQI-QMMMGPOBSA-N 1 2 241.312 1.101 20 0 BDADLO COC(=O)c1ccc(C[N@H+]2CC[C@H]2CO)s1 ZINC000934026715 631605029 /nfs/dbraw/zinc/60/50/29/631605029.db2.gz NHBRKUKHZSAJQI-QMMMGPOBSA-N 1 2 241.312 1.101 20 0 BDADLO Cc1cc(C[N@@H+]2CC[C@H]2CO)cc(Cl)n1 ZINC000934018097 631614130 /nfs/dbraw/zinc/61/41/30/631614130.db2.gz JARACQUMJKITBZ-JTQLQIEISA-N 1 2 226.707 1.610 20 0 BDADLO Cc1cc(C[N@H+]2CC[C@H]2CO)cc(Cl)n1 ZINC000934018097 631614134 /nfs/dbraw/zinc/61/41/34/631614134.db2.gz JARACQUMJKITBZ-JTQLQIEISA-N 1 2 226.707 1.610 20 0 BDADLO OC[C@@H]1CC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934023803 631624119 /nfs/dbraw/zinc/62/41/19/631624119.db2.gz MDIKLCPHHRQDNQ-AWEZNQCLSA-N 1 2 243.310 1.439 20 0 BDADLO OC[C@@H]1CC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934023803 631624124 /nfs/dbraw/zinc/62/41/24/631624124.db2.gz MDIKLCPHHRQDNQ-AWEZNQCLSA-N 1 2 243.310 1.439 20 0 BDADLO Cc1[nH+]ccn1CCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000924873373 635682043 /nfs/dbraw/zinc/68/20/43/635682043.db2.gz MRMWNJRBHKSTNX-MWLCHTKSSA-N 1 2 246.318 1.079 20 0 BDADLO Cc1nccn1CC[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000924873373 635682048 /nfs/dbraw/zinc/68/20/48/635682048.db2.gz MRMWNJRBHKSTNX-MWLCHTKSSA-N 1 2 246.318 1.079 20 0 BDADLO Cn1c[nH+]cc1CNc1ncncc1Cl ZINC000308867185 631696926 /nfs/dbraw/zinc/69/69/26/631696926.db2.gz GMMZKYMWSCWVER-UHFFFAOYSA-N 1 2 223.667 1.476 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(C(C)C)no1 ZINC000934132602 631707927 /nfs/dbraw/zinc/70/79/27/631707927.db2.gz RMDVFHQMUNDMCJ-NXEZZACHSA-N 1 2 239.319 1.802 20 0 BDADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000934132602 631707933 /nfs/dbraw/zinc/70/79/33/631707933.db2.gz RMDVFHQMUNDMCJ-NXEZZACHSA-N 1 2 239.319 1.802 20 0 BDADLO C[C@]1(C(=O)OCCn2cc[nH+]c2)C=CCC1 ZINC000924413078 631776088 /nfs/dbraw/zinc/77/60/88/631776088.db2.gz NJHBLSHLQITRKA-LBPRGKRZSA-N 1 2 220.272 1.783 20 0 BDADLO Cc1nccc(C[N@@H+]2CCOC[C@]2(C)C2CC2)n1 ZINC000934479461 631873020 /nfs/dbraw/zinc/87/30/20/631873020.db2.gz TYIRKUDAODLRON-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO Cc1nccc(C[N@H+]2CCOC[C@]2(C)C2CC2)n1 ZINC000934479461 631873025 /nfs/dbraw/zinc/87/30/25/631873025.db2.gz TYIRKUDAODLRON-CQSZACIVSA-N 1 2 247.342 1.786 20 0 BDADLO CC[NH2+]Cc1noc(Cc2ccccc2OC)n1 ZINC000051860811 631972656 /nfs/dbraw/zinc/97/26/56/631972656.db2.gz JYMVFMIYSNDWJW-UHFFFAOYSA-N 1 2 247.298 1.779 20 0 BDADLO C[C@@H](C(=O)OCc1cc[nH+]c(N)c1)C1CC1 ZINC000309272179 631979616 /nfs/dbraw/zinc/97/96/16/631979616.db2.gz LFRVCZBRNOXYOU-MRVPVSSYSA-N 1 2 220.272 1.753 20 0 BDADLO CCCOCC(=O)OCc1cc[nH+]c(N)c1 ZINC000309293682 631992643 /nfs/dbraw/zinc/99/26/43/631992643.db2.gz QYXWEKPNVGFVTR-UHFFFAOYSA-N 1 2 224.260 1.134 20 0 BDADLO O=C1CCCN1CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000329293831 635784086 /nfs/dbraw/zinc/78/40/86/635784086.db2.gz OBMBPWNFHWTOLQ-LLVKDONJSA-N 1 2 248.330 1.169 20 0 BDADLO O=C1CCCN1CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000329293831 635784091 /nfs/dbraw/zinc/78/40/91/635784091.db2.gz OBMBPWNFHWTOLQ-LLVKDONJSA-N 1 2 248.330 1.169 20 0 BDADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000926502217 632397797 /nfs/dbraw/zinc/39/77/97/632397797.db2.gz DCCSNXGOVDDAIA-VIFPVBQESA-N 1 2 232.287 1.932 20 0 BDADLO CCOC(=O)[C@@H]([NH2+]CCSC)C(C)(C)C ZINC000309054955 632631009 /nfs/dbraw/zinc/63/10/09/632631009.db2.gz TWYDLVSVDIBSMT-SECBINFHSA-N 1 2 233.377 1.917 20 0 BDADLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000309137084 632645009 /nfs/dbraw/zinc/64/50/09/632645009.db2.gz OKIANHSLPVXBHB-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000309137084 632645012 /nfs/dbraw/zinc/64/50/12/632645012.db2.gz OKIANHSLPVXBHB-HTQZYQBOSA-N 1 2 239.237 1.822 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)CSC(C)(C)C ZINC000291208909 632652323 /nfs/dbraw/zinc/65/23/23/632652323.db2.gz FQJNGUPYGNUMRY-UHFFFAOYSA-N 1 2 241.360 1.568 20 0 BDADLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](O)C1 ZINC000191236861 632671927 /nfs/dbraw/zinc/67/19/27/632671927.db2.gz BCCHVDFCEOFMJP-ZETCQYMHSA-N 1 2 245.681 1.751 20 0 BDADLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](O)C1 ZINC000191236861 632671934 /nfs/dbraw/zinc/67/19/34/632671934.db2.gz BCCHVDFCEOFMJP-ZETCQYMHSA-N 1 2 245.681 1.751 20 0 BDADLO CO[C@@H](C)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000309818002 632673724 /nfs/dbraw/zinc/67/37/24/632673724.db2.gz CLWHVSYFEMBVLM-VHSXEESVSA-N 1 2 231.336 1.731 20 0 BDADLO CCCOC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000310101808 632700849 /nfs/dbraw/zinc/70/08/49/632700849.db2.gz LJSNOZUIYWTUKI-UHFFFAOYSA-N 1 2 244.335 1.233 20 0 BDADLO CC(C)CCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000179517341 632740101 /nfs/dbraw/zinc/74/01/01/632740101.db2.gz QGMLUKBKAFVWEY-GFCCVEGCSA-N 1 2 243.347 1.687 20 0 BDADLO CCC1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000309239226 632832872 /nfs/dbraw/zinc/83/28/72/632832872.db2.gz ADBOMVIKMQIJNX-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO CC[C@H](OC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000309314183 632923159 /nfs/dbraw/zinc/92/31/59/632923159.db2.gz YEMNWSRJMFOIFL-VIFPVBQESA-N 1 2 224.260 1.132 20 0 BDADLO CC[C@@H]([NH2+]Cc1cocn1)c1cnn(C)c1 ZINC000393779452 632998101 /nfs/dbraw/zinc/99/81/01/632998101.db2.gz IQKQWNCJPJXFQZ-LLVKDONJSA-N 1 2 220.276 1.649 20 0 BDADLO CO[C@H](CNc1cc[nH+]c(C)n1)C(F)(F)F ZINC000309408144 633026690 /nfs/dbraw/zinc/02/66/90/633026690.db2.gz BHIJCNJRBQIWBL-SSDOTTSWSA-N 1 2 235.209 1.774 20 0 BDADLO CCc1cc(C[NH2+][C@@H](C)c2ncc[nH]2)[nH]n1 ZINC000309466389 633108649 /nfs/dbraw/zinc/10/86/49/633108649.db2.gz PMIMFRRNJQDIBE-QMMMGPOBSA-N 1 2 219.292 1.546 20 0 BDADLO Nc1cc(COC(=O)CC2CCC2)cc[nH+]1 ZINC000309590388 633207390 /nfs/dbraw/zinc/20/73/90/633207390.db2.gz YXNVECMJIAJSTC-UHFFFAOYSA-N 1 2 220.272 1.897 20 0 BDADLO CC(=O)CC[N@@H+]1CCC=C(Br)C1 ZINC000306512763 635968456 /nfs/dbraw/zinc/96/84/56/635968456.db2.gz QMPVKENPWAYNSJ-UHFFFAOYSA-N 1 2 232.121 1.950 20 0 BDADLO CC(=O)CC[N@H+]1CCC=C(Br)C1 ZINC000306512763 635968459 /nfs/dbraw/zinc/96/84/59/635968459.db2.gz QMPVKENPWAYNSJ-UHFFFAOYSA-N 1 2 232.121 1.950 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(C3(C)CC3)no2)O1 ZINC000924086789 633767165 /nfs/dbraw/zinc/76/71/65/633767165.db2.gz BBHLYRCPFNJFRI-BDAKNGLRSA-N 1 2 237.303 1.513 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(C3(C)CC3)no2)O1 ZINC000924086789 633767175 /nfs/dbraw/zinc/76/71/75/633767175.db2.gz BBHLYRCPFNJFRI-BDAKNGLRSA-N 1 2 237.303 1.513 20 0 BDADLO CN(C)c1cc(N2CCC=C(F)C2)nc[nH+]1 ZINC000893103073 633835599 /nfs/dbraw/zinc/83/55/99/633835599.db2.gz KNOILOHOKXHNSB-UHFFFAOYSA-N 1 2 222.267 1.606 20 0 BDADLO CN(C)c1cc(N2CCC=C(F)C2)[nH+]cn1 ZINC000893103073 633835602 /nfs/dbraw/zinc/83/56/02/633835602.db2.gz KNOILOHOKXHNSB-UHFFFAOYSA-N 1 2 222.267 1.606 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000930489784 633848907 /nfs/dbraw/zinc/84/89/07/633848907.db2.gz MZVSNRYVXPCCHK-PELKAZGASA-N 1 2 241.718 1.397 20 0 BDADLO C[C@@H](O)[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000930489784 633848911 /nfs/dbraw/zinc/84/89/11/633848911.db2.gz MZVSNRYVXPCCHK-PELKAZGASA-N 1 2 241.718 1.397 20 0 BDADLO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000184868745 634022387 /nfs/dbraw/zinc/02/23/87/634022387.db2.gz UOMGIORSBMRIGM-UHFFFAOYSA-N 1 2 236.275 1.625 20 0 BDADLO O=[N+]([O-])c1cnn(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000184868745 634022396 /nfs/dbraw/zinc/02/23/96/634022396.db2.gz UOMGIORSBMRIGM-UHFFFAOYSA-N 1 2 236.275 1.625 20 0 BDADLO C[C@@H]1CC[C@@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000336599590 635188267 /nfs/dbraw/zinc/18/82/67/635188267.db2.gz VCUZCNKAUPIVSW-NXEZZACHSA-N 1 2 236.319 1.408 20 0 BDADLO CC(C)(F)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980608655 635244399 /nfs/dbraw/zinc/24/43/99/635244399.db2.gz ZAWFSJDRYVSZQC-UHFFFAOYSA-N 1 2 234.290 1.238 20 0 BDADLO CC(C)(F)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980608655 635244403 /nfs/dbraw/zinc/24/44/03/635244403.db2.gz ZAWFSJDRYVSZQC-UHFFFAOYSA-N 1 2 234.290 1.238 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000980991025 635307937 /nfs/dbraw/zinc/30/79/37/635307937.db2.gz GWAOLSBGHVZLER-LLVKDONJSA-N 1 2 242.338 1.536 20 0 BDADLO CC1(C)C[C@@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000980991025 635307945 /nfs/dbraw/zinc/30/79/45/635307945.db2.gz GWAOLSBGHVZLER-LLVKDONJSA-N 1 2 242.338 1.536 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2CCc3cccnc32)n1 ZINC000226826940 635443429 /nfs/dbraw/zinc/44/34/29/635443429.db2.gz AVAOHNNRRPLXOK-LBPRGKRZSA-N 1 2 228.299 1.592 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000231284706 635499079 /nfs/dbraw/zinc/49/90/79/635499079.db2.gz DLQVVZHCUBLTOP-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000231284706 635499084 /nfs/dbraw/zinc/49/90/84/635499084.db2.gz DLQVVZHCUBLTOP-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO Cc1cnc(C[NH2+]Cc2ccc(O)cc2)o1 ZINC000235956328 635591426 /nfs/dbraw/zinc/59/14/26/635591426.db2.gz SZISAPDJUWADHI-UHFFFAOYSA-N 1 2 218.256 1.978 20 0 BDADLO Cc1cn(C(C)(C)C(=O)NCc2ccoc2)c[nH+]1 ZINC000895874889 636179298 /nfs/dbraw/zinc/17/92/98/636179298.db2.gz PFUXWLJJBBSSJG-UHFFFAOYSA-N 1 2 247.298 1.836 20 0 BDADLO C[C@@H](CO)[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000163186134 636190177 /nfs/dbraw/zinc/19/01/77/636190177.db2.gz KXSFLEZXPSDELL-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO C[C@@H](CO)[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000163186134 636190183 /nfs/dbraw/zinc/19/01/83/636190183.db2.gz KXSFLEZXPSDELL-NSHDSACASA-N 1 2 246.314 1.080 20 0 BDADLO Cc1nc(C)c(C(=O)NCc2[nH]c(C)c(C)[nH+]2)[nH]1 ZINC000896910760 636253237 /nfs/dbraw/zinc/25/32/37/636253237.db2.gz WJZOUWQMMZKGGL-UHFFFAOYSA-N 1 2 247.302 1.296 20 0 BDADLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029561253 636261873 /nfs/dbraw/zinc/26/18/73/636261873.db2.gz SNCXUZLBWBEXFY-PHIMTYICSA-N 1 2 242.338 1.677 20 0 BDADLO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029561253 636261877 /nfs/dbraw/zinc/26/18/77/636261877.db2.gz SNCXUZLBWBEXFY-PHIMTYICSA-N 1 2 242.338 1.677 20 0 BDADLO CCC1CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000909572473 636263561 /nfs/dbraw/zinc/26/35/61/636263561.db2.gz JGKURNKBYHILAQ-UHFFFAOYSA-N 1 2 219.288 1.362 20 0 BDADLO O=C(OCCn1cc[nH+]c1)c1ccc[nH]1 ZINC000797858002 636403249 /nfs/dbraw/zinc/40/32/49/636403249.db2.gz QRFGVTGTYROEJZ-UHFFFAOYSA-N 1 2 205.217 1.068 20 0 BDADLO C[C@H]1COC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000928906247 636488363 /nfs/dbraw/zinc/48/83/63/636488363.db2.gz QNSCOLYDZXZCBH-UWVGGRQHSA-N 1 2 245.282 1.099 20 0 BDADLO C[C@@H]1COC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000928906250 636488684 /nfs/dbraw/zinc/48/86/84/636488684.db2.gz QNSCOLYDZXZCBH-ZJUUUORDSA-N 1 2 245.282 1.099 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC1CCCCCC1 ZINC000074673393 636652898 /nfs/dbraw/zinc/65/28/98/636652898.db2.gz JDGWHZBXZULNEQ-UHFFFAOYSA-N 1 2 221.304 1.791 20 0 BDADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000925293149 636741304 /nfs/dbraw/zinc/74/13/04/636741304.db2.gz KGINDLCULPBSOY-WDEREUQCSA-N 1 2 245.330 1.930 20 0 BDADLO COc1ccc2c(c1)C[C@@H](C[NH+]1CCOCC1)O2 ZINC000929123988 636812866 /nfs/dbraw/zinc/81/28/66/636812866.db2.gz GHCIBSAIYUYGJI-ZDUSSCGKSA-N 1 2 249.310 1.331 20 0 BDADLO COc1cccc(C[NH+]2CCOCC2)c1C ZINC000929123981 636813170 /nfs/dbraw/zinc/81/31/70/636813170.db2.gz GCRCQHHLWYYNOD-UHFFFAOYSA-N 1 2 221.300 1.836 20 0 BDADLO C[C@@H](C[NH+]1CCOCC1)C(=O)c1ccc(O)cc1 ZINC000929126221 636814937 /nfs/dbraw/zinc/81/49/37/636814937.db2.gz TYOUETHUMPKXMF-NSHDSACASA-N 1 2 249.310 1.543 20 0 BDADLO Cc1noc(C2([NH2+]C[C@@H]3CCC=CO3)CC2)n1 ZINC000897897621 636844992 /nfs/dbraw/zinc/84/49/92/636844992.db2.gz CNMALHIKBXCOJR-JTQLQIEISA-N 1 2 235.287 1.649 20 0 BDADLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(C3CC3)no2)O1 ZINC000923802152 637020195 /nfs/dbraw/zinc/02/01/95/637020195.db2.gz VHMWYTMOTGSLHV-APPZFPTMSA-N 1 2 223.276 1.339 20 0 BDADLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(C3CC3)no2)O1 ZINC000923802152 637020198 /nfs/dbraw/zinc/02/01/98/637020198.db2.gz VHMWYTMOTGSLHV-APPZFPTMSA-N 1 2 223.276 1.339 20 0 BDADLO CC(C)(CNC(=O)C1(F)CC1)n1cc[nH+]c1 ZINC000898909671 637064371 /nfs/dbraw/zinc/06/43/71/637064371.db2.gz FFRHVSPVLZPOOO-UHFFFAOYSA-N 1 2 225.267 1.237 20 0 BDADLO CCn1nc(C)c([C@H](C)[NH2+]Cc2cnn(C)c2)n1 ZINC000924753121 637080049 /nfs/dbraw/zinc/08/00/49/637080049.db2.gz ORWDPNPWNLSMQG-VIFPVBQESA-N 1 2 248.334 1.191 20 0 BDADLO CC(C)COC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000162003573 637137042 /nfs/dbraw/zinc/13/70/42/637137042.db2.gz ULSJWXJMJQKSAK-LLVKDONJSA-N 1 2 231.336 1.182 20 0 BDADLO CCN(CC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899914959 637154903 /nfs/dbraw/zinc/15/49/03/637154903.db2.gz PBRMGBVDYYWOKS-BENRWUELSA-N 1 2 240.347 1.133 20 0 BDADLO CC(C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900907905 637202493 /nfs/dbraw/zinc/20/24/93/637202493.db2.gz LMDFVHYVCYUAPT-NSHDSACASA-N 1 2 235.331 1.847 20 0 BDADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000900927716 637212460 /nfs/dbraw/zinc/21/24/60/637212460.db2.gz PGLFOZNWKXRTMY-VIFPVBQESA-N 1 2 221.304 1.599 20 0 BDADLO COC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905087839 637584208 /nfs/dbraw/zinc/58/42/08/637584208.db2.gz QVNUQTFNPAQMER-SNVBAGLBSA-N 1 2 236.315 1.772 20 0 BDADLO C[C@](O)(C[NH2+][C@@H]1CCCC1(F)F)C(F)F ZINC000905263371 637717362 /nfs/dbraw/zinc/71/73/62/637717362.db2.gz UUHGBXBTIAIQID-SVRRBLITSA-N 1 2 229.217 1.780 20 0 BDADLO Fc1ccnc(NCc2c[nH+]c3n2CCC3)c1 ZINC000905421249 637805019 /nfs/dbraw/zinc/80/50/19/637805019.db2.gz PNQNHLOHRHELNG-UHFFFAOYSA-N 1 2 232.262 1.976 20 0 BDADLO C[C@H]1CC[N@H+](Cn2cc[nH]c2=S)CCO1 ZINC000905740758 637904925 /nfs/dbraw/zinc/90/49/25/637904925.db2.gz STDSXAVRHMFOAW-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO C[C@H]1CC[N@@H+](Cn2cc[nH]c2=S)CCO1 ZINC000905740758 637904931 /nfs/dbraw/zinc/90/49/31/637904931.db2.gz STDSXAVRHMFOAW-VIFPVBQESA-N 1 2 227.333 1.240 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+]CCc1ccoc1)C(=O)OC ZINC000905776015 637906418 /nfs/dbraw/zinc/90/64/18/637906418.db2.gz ZTXZNIRHGSDNDH-CMPLNLGQSA-N 1 2 239.315 1.999 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H](C)CSC)C(=O)OC ZINC000905762192 637916694 /nfs/dbraw/zinc/91/66/94/637916694.db2.gz RPGIGFCQHDWCER-IVZWLZJFSA-N 1 2 233.377 1.915 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@]1(C)CCCO1)C(=O)OC ZINC000905768003 637922428 /nfs/dbraw/zinc/92/24/28/637922428.db2.gz PLFCDVJCFALVIT-GVXVVHGQSA-N 1 2 243.347 1.733 20 0 BDADLO CC[C@](O)(Cn1cc[nH+]c1)C(F)(F)F ZINC000905875821 637960489 /nfs/dbraw/zinc/96/04/89/637960489.db2.gz STEJJTZNMRCQIX-ZETCQYMHSA-N 1 2 208.183 1.587 20 0 BDADLO C[C@H]1CC[N@@H+]1CC[S@](=O)C(F)(F)F ZINC000905975210 637990780 /nfs/dbraw/zinc/99/07/80/637990780.db2.gz PQMBVLAWODRFKV-IYQDAUBNSA-N 1 2 215.240 1.349 20 0 BDADLO C[C@H]1CC[N@H+]1CC[S@](=O)C(F)(F)F ZINC000905975210 637990781 /nfs/dbraw/zinc/99/07/81/637990781.db2.gz PQMBVLAWODRFKV-IYQDAUBNSA-N 1 2 215.240 1.349 20 0 BDADLO Cn1c[nH+]cc1CS(=O)(=O)C/C=C/Cl ZINC000906025709 638026317 /nfs/dbraw/zinc/02/63/17/638026317.db2.gz QQFBSTWIRYRXOK-NSCUHMNNSA-N 1 2 234.708 1.087 20 0 BDADLO C[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1cnn(C)c1 ZINC000906288878 638132144 /nfs/dbraw/zinc/13/21/44/638132144.db2.gz COQNTSGOHRVUBP-SECBINFHSA-N 1 2 246.318 1.197 20 0 BDADLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000907360678 638361530 /nfs/dbraw/zinc/36/15/30/638361530.db2.gz DUVTUECLWUMYSU-VWYCJHECSA-N 1 2 235.331 1.893 20 0 BDADLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000907593682 638414951 /nfs/dbraw/zinc/41/49/51/638414951.db2.gz MGBUASUNPDCSDQ-DTWKUNHWSA-N 1 2 207.277 1.257 20 0 BDADLO C[C@@H]1CSCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907721292 638457372 /nfs/dbraw/zinc/45/73/72/638457372.db2.gz LLRIULMOGNJEJE-VIFPVBQESA-N 1 2 239.344 1.164 20 0 BDADLO CC(C)N(CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907776726 638471783 /nfs/dbraw/zinc/47/17/83/638471783.db2.gz NNCARAYMNIUJEX-UHFFFAOYSA-N 1 2 235.331 1.989 20 0 BDADLO O=C(CC1COC1)Nc1ccn2cc[nH+]c2c1 ZINC000907906186 638508618 /nfs/dbraw/zinc/50/86/18/638508618.db2.gz ZVICHIPLDVMETR-UHFFFAOYSA-N 1 2 231.255 1.309 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC(C2CCCC2)C1 ZINC000907905158 638508994 /nfs/dbraw/zinc/50/89/94/638508994.db2.gz POYKZMIAIVHCCO-UHFFFAOYSA-N 1 2 233.315 1.601 20 0 BDADLO CCC1(O)CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000908054785 638555012 /nfs/dbraw/zinc/55/50/12/638555012.db2.gz BCBUBVPBZRXONX-UHFFFAOYSA-N 1 2 248.326 1.604 20 0 BDADLO CCC(CC)(CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908040286 638558594 /nfs/dbraw/zinc/55/85/94/638558594.db2.gz SBYBSVZAMDJENW-UHFFFAOYSA-N 1 2 239.319 1.010 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCCSC1 ZINC000908214733 638614629 /nfs/dbraw/zinc/61/46/29/638614629.db2.gz PFLQDOKJBBYJSP-VIFPVBQESA-N 1 2 239.344 1.212 20 0 BDADLO CC[C@H](CNC(=O)CNc1cccc[nH+]1)OC ZINC000908297328 638647278 /nfs/dbraw/zinc/64/72/78/638647278.db2.gz WLNJGXRDRLNATO-SNVBAGLBSA-N 1 2 237.303 1.035 20 0 BDADLO CCC1(CC)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908422138 638703949 /nfs/dbraw/zinc/70/39/49/638703949.db2.gz MTYUESMCUNOBCW-UHFFFAOYSA-N 1 2 221.304 1.601 20 0 BDADLO CC(C)(CNC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC000908943365 639097658 /nfs/dbraw/zinc/09/76/58/639097658.db2.gz LVWMVQFUYLHJAR-UHFFFAOYSA-N 1 2 235.331 1.895 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCCC1(F)F ZINC000908959715 639111227 /nfs/dbraw/zinc/11/12/27/639111227.db2.gz LDBNTVXQWOSPDJ-MRVPVSSYSA-N 1 2 243.257 1.504 20 0 BDADLO CO[C@@H]1CCC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000909010488 639112700 /nfs/dbraw/zinc/11/27/00/639112700.db2.gz XQONBBWOFLYIHC-GHMZBOCLSA-N 1 2 249.314 1.177 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000909923697 639268191 /nfs/dbraw/zinc/26/81/91/639268191.db2.gz PADWBTAMNDGCFZ-DVVUODLYSA-N 1 2 219.288 1.257 20 0 BDADLO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000910076505 639366669 /nfs/dbraw/zinc/36/66/69/639366669.db2.gz RBDFWTWZOPMJMY-SSDOTTSWSA-N 1 2 247.302 1.170 20 0 BDADLO CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccn1 ZINC000910344656 639422464 /nfs/dbraw/zinc/42/24/64/639422464.db2.gz NDOCJBXYAQHYNB-JTQLQIEISA-N 1 2 244.298 1.615 20 0 BDADLO Cc1cc(=O)[nH]c(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000910606101 639481399 /nfs/dbraw/zinc/48/13/99/639481399.db2.gz IMOBPGCVLAHTLR-UHFFFAOYSA-N 1 2 246.270 1.390 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C2CCCC2)C1 ZINC000911181804 639594124 /nfs/dbraw/zinc/59/41/24/639594124.db2.gz KPJRFLLIVDMWGG-LBPRGKRZSA-N 1 2 247.342 1.991 20 0 BDADLO C[C@H]1C[C@H]1c1cc(NC(=O)Cc2c[nH]c[nH+]2)n[nH]1 ZINC000911424118 639648053 /nfs/dbraw/zinc/64/80/53/639648053.db2.gz ANRBAYYUDCNRCV-IONNQARKSA-N 1 2 245.286 1.437 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930242514 639648810 /nfs/dbraw/zinc/64/88/10/639648810.db2.gz XWSJRBWNHULKEC-WYUUTHIRSA-N 1 2 243.347 1.683 20 0 BDADLO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000930242514 639648818 /nfs/dbraw/zinc/64/88/18/639648818.db2.gz XWSJRBWNHULKEC-WYUUTHIRSA-N 1 2 243.347 1.683 20 0 BDADLO COCCOCC[N@H+](C)[C@@H](C)c1ncccn1 ZINC000930502365 639786323 /nfs/dbraw/zinc/78/63/23/639786323.db2.gz IFOCRKJHSQRVHS-NSHDSACASA-N 1 2 239.319 1.132 20 0 BDADLO COCCOCC[N@@H+](C)[C@@H](C)c1ncccn1 ZINC000930502365 639786332 /nfs/dbraw/zinc/78/63/32/639786332.db2.gz IFOCRKJHSQRVHS-NSHDSACASA-N 1 2 239.319 1.132 20 0 BDADLO CC[C@@H](CO)[N@H+](C)Cc1nncn1C(C)C ZINC000930561497 639811347 /nfs/dbraw/zinc/81/13/47/639811347.db2.gz ZLGBDBNVQGKZNN-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC[C@@H](CO)[N@@H+](C)Cc1nncn1C(C)C ZINC000930561497 639811348 /nfs/dbraw/zinc/81/13/48/639811348.db2.gz ZLGBDBNVQGKZNN-JTQLQIEISA-N 1 2 226.324 1.062 20 0 BDADLO CC(C)[C@@H]1C[N@H+](Cc2nncs2)CCCO1 ZINC000930588769 639814779 /nfs/dbraw/zinc/81/47/79/639814779.db2.gz IKPJZRXPFVQILL-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO CC(C)[C@@H]1C[N@@H+](Cc2nncs2)CCCO1 ZINC000930588769 639814780 /nfs/dbraw/zinc/81/47/80/639814780.db2.gz IKPJZRXPFVQILL-JTQLQIEISA-N 1 2 241.360 1.785 20 0 BDADLO COc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1C ZINC000930643059 639839762 /nfs/dbraw/zinc/83/97/62/639839762.db2.gz QRBOQDFPSAGBMX-SNVBAGLBSA-N 1 2 248.326 1.324 20 0 BDADLO COc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1C ZINC000930643059 639839764 /nfs/dbraw/zinc/83/97/64/639839764.db2.gz QRBOQDFPSAGBMX-SNVBAGLBSA-N 1 2 248.326 1.324 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@H+](Cc2nncs2)C1 ZINC000930650467 639844731 /nfs/dbraw/zinc/84/47/31/639844731.db2.gz LUJYKGBPADTJJR-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2nncs2)C1 ZINC000930650467 639844734 /nfs/dbraw/zinc/84/47/34/639844734.db2.gz LUJYKGBPADTJJR-VIFPVBQESA-N 1 2 241.360 1.521 20 0 BDADLO O=C(Cc1c[nH+]c[nH]1)N1CCC=C(Cl)C1 ZINC000911842583 639849168 /nfs/dbraw/zinc/84/91/68/639849168.db2.gz GLGOQTZMRLKIEP-UHFFFAOYSA-N 1 2 225.679 1.307 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)C(=O)OC ZINC000930705590 639871086 /nfs/dbraw/zinc/87/10/86/639871086.db2.gz VWSVCQQSJODGQQ-WHOHXGKFSA-N 1 2 243.347 1.731 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1nncs1 ZINC000930739357 639887783 /nfs/dbraw/zinc/88/77/83/639887783.db2.gz MGYWVQZSUICRMH-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1nncs1 ZINC000930739357 639887785 /nfs/dbraw/zinc/88/77/85/639887785.db2.gz MGYWVQZSUICRMH-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1nncs1 ZINC000930739358 639888317 /nfs/dbraw/zinc/88/83/17/639888317.db2.gz MGYWVQZSUICRMH-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1nncs1 ZINC000930739358 639888321 /nfs/dbraw/zinc/88/83/21/639888321.db2.gz MGYWVQZSUICRMH-RKDXNWHRSA-N 1 2 227.333 1.131 20 0 BDADLO CC[C@H](CO)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000930812873 639916979 /nfs/dbraw/zinc/91/69/79/639916979.db2.gz UKGZNBMGNWFGST-SECBINFHSA-N 1 2 241.722 1.259 20 0 BDADLO CC[C@H](CO)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000930812873 639916984 /nfs/dbraw/zinc/91/69/84/639916984.db2.gz UKGZNBMGNWFGST-SECBINFHSA-N 1 2 241.722 1.259 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N(C)c1ccsc1 ZINC000912004076 639920361 /nfs/dbraw/zinc/92/03/61/639920361.db2.gz QZPIXTHCOBUYCD-UHFFFAOYSA-N 1 2 235.312 1.985 20 0 BDADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000912011571 639926429 /nfs/dbraw/zinc/92/64/29/639926429.db2.gz VXMCABJITXXEJK-JTQLQIEISA-N 1 2 240.328 1.042 20 0 BDADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000912011571 639926434 /nfs/dbraw/zinc/92/64/34/639926434.db2.gz VXMCABJITXXEJK-JTQLQIEISA-N 1 2 240.328 1.042 20 0 BDADLO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)n1 ZINC000930830235 639930381 /nfs/dbraw/zinc/93/03/81/639930381.db2.gz GURAFUMNBMTTIZ-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)n1 ZINC000930830235 639930369 /nfs/dbraw/zinc/93/03/69/639930369.db2.gz GURAFUMNBMTTIZ-GRYCIOLGSA-N 1 2 247.342 1.487 20 0 BDADLO CC(C)(O)CC[NH2+][C@]1(C)CC(C)(C)OC1=O ZINC000930875138 639964582 /nfs/dbraw/zinc/96/45/82/639964582.db2.gz WRFYBMVGTRHSPX-GFCCVEGCSA-N 1 2 229.320 1.221 20 0 BDADLO C[C@H](C1CC1)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000930964968 639997558 /nfs/dbraw/zinc/99/75/58/639997558.db2.gz RODIBPVOARXINC-VXNVDRBHSA-N 1 2 205.248 1.487 20 0 BDADLO C[C@H](C1CC1)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000930964968 639997568 /nfs/dbraw/zinc/99/75/68/639997568.db2.gz RODIBPVOARXINC-VXNVDRBHSA-N 1 2 205.248 1.487 20 0 BDADLO C[NH2+]CCCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000912251083 640013699 /nfs/dbraw/zinc/01/36/99/640013699.db2.gz YNAVNFKJMNHMGZ-UHFFFAOYSA-N 1 2 247.302 1.286 20 0 BDADLO CO[C@H]1C[N@H+](Cc2ccccc2CF)CCO1 ZINC000931035729 640029502 /nfs/dbraw/zinc/02/95/02/640029502.db2.gz UJKRBVBUKIYNKF-CYBMUJFWSA-N 1 2 239.290 1.961 20 0 BDADLO CO[C@H]1C[N@@H+](Cc2ccccc2CF)CCO1 ZINC000931035729 640029504 /nfs/dbraw/zinc/02/95/04/640029504.db2.gz UJKRBVBUKIYNKF-CYBMUJFWSA-N 1 2 239.290 1.961 20 0 BDADLO [NH3+][C@H](CC(=O)N(C1CC1)C1CCCC1)C(F)F ZINC000912334091 640032130 /nfs/dbraw/zinc/03/21/30/640032130.db2.gz WSWJCMHSNWXBHO-SNVBAGLBSA-N 1 2 246.301 1.903 20 0 BDADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000931180373 640093610 /nfs/dbraw/zinc/09/36/10/640093610.db2.gz PREQDQFLOSLYRW-JTQLQIEISA-N 1 2 235.287 1.002 20 0 BDADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000931180373 640093615 /nfs/dbraw/zinc/09/36/15/640093615.db2.gz PREQDQFLOSLYRW-JTQLQIEISA-N 1 2 235.287 1.002 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCCC1CCC1 ZINC000912505068 640100093 /nfs/dbraw/zinc/10/00/93/640100093.db2.gz WVCGUZLFKLBTKY-UHFFFAOYSA-N 1 2 221.304 1.649 20 0 BDADLO CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912583004 640119915 /nfs/dbraw/zinc/11/99/15/640119915.db2.gz AGQXZYGZWNROBH-RBLKWDMZSA-N 1 2 249.314 1.115 20 0 BDADLO CCc1nc[nH]c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912584964 640121647 /nfs/dbraw/zinc/12/16/47/640121647.db2.gz VWEOUQONMFRPGD-VIFPVBQESA-N 1 2 245.286 1.043 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000912678984 640163446 /nfs/dbraw/zinc/16/34/46/640163446.db2.gz RQCAOAAIRMMNJD-GHMZBOCLSA-N 1 2 231.299 1.362 20 0 BDADLO O=C(CNc1cccc[nH+]1)N1CC(CC2CC2)C1 ZINC000912831125 640216878 /nfs/dbraw/zinc/21/68/78/640216878.db2.gz VWJIUVBYJJEONR-UHFFFAOYSA-N 1 2 245.326 1.752 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931467346 640226756 /nfs/dbraw/zinc/22/67/56/640226756.db2.gz NSCDYEVIXYZSGA-YEZKRMTDSA-N 1 2 249.314 1.448 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931467346 640226763 /nfs/dbraw/zinc/22/67/63/640226763.db2.gz NSCDYEVIXYZSGA-YEZKRMTDSA-N 1 2 249.314 1.448 20 0 BDADLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C(F)(F)F ZINC000913019346 640285397 /nfs/dbraw/zinc/28/53/97/640285397.db2.gz ZCBQVQOWTSOTED-QMMMGPOBSA-N 1 2 247.220 1.436 20 0 BDADLO O=C(Nc1ccns1)[C@H]1CCc2c[nH+]cn2C1 ZINC000913057366 640296410 /nfs/dbraw/zinc/29/64/10/640296410.db2.gz LOTJAAZJJGMUDN-QMMMGPOBSA-N 1 2 248.311 1.541 20 0 BDADLO CC1(C)CNC(=O)[C@@H]1[NH2+]C/C(Cl)=C\Cl ZINC000931658370 640306570 /nfs/dbraw/zinc/30/65/70/640306570.db2.gz KOHJFYTWLNGKKF-ZAXDUSRUSA-N 1 2 237.130 1.420 20 0 BDADLO FC[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000931683387 640312577 /nfs/dbraw/zinc/31/25/77/640312577.db2.gz UZDGWAZHRKOBCY-MRVPVSSYSA-N 1 2 215.297 1.720 20 0 BDADLO FC[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000931683387 640312582 /nfs/dbraw/zinc/31/25/82/640312582.db2.gz UZDGWAZHRKOBCY-MRVPVSSYSA-N 1 2 215.297 1.720 20 0 BDADLO COC[C@@H]1CCCN1C(=O)CNc1cccc[nH+]1 ZINC000913152264 640313524 /nfs/dbraw/zinc/31/35/24/640313524.db2.gz INAHCOHWCRLXGS-NSHDSACASA-N 1 2 249.314 1.131 20 0 BDADLO Cn1ccc([C@@H]2CCC[N@H+](Cc3cnon3)C2)n1 ZINC000932129428 640434402 /nfs/dbraw/zinc/43/44/02/640434402.db2.gz BCQFFRUFULFFEH-SNVBAGLBSA-N 1 2 247.302 1.183 20 0 BDADLO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cnon3)C2)n1 ZINC000932129428 640434409 /nfs/dbraw/zinc/43/44/09/640434409.db2.gz BCQFFRUFULFFEH-SNVBAGLBSA-N 1 2 247.302 1.183 20 0 BDADLO Cc1c(Cl)cnn1C[N@@H+](C)[C@@H]1CCOC1 ZINC000156643478 640477144 /nfs/dbraw/zinc/47/71/44/640477144.db2.gz GGHCQVFNIISYKU-SECBINFHSA-N 1 2 229.711 1.523 20 0 BDADLO Cc1c(Cl)cnn1C[N@H+](C)[C@@H]1CCOC1 ZINC000156643478 640477150 /nfs/dbraw/zinc/47/71/50/640477150.db2.gz GGHCQVFNIISYKU-SECBINFHSA-N 1 2 229.711 1.523 20 0 BDADLO COCC[NH+]1CC(NC(=O)c2ccccc2C)C1 ZINC001030065625 640569476 /nfs/dbraw/zinc/56/94/76/640569476.db2.gz YRYBZGHBMXNTIF-UHFFFAOYSA-N 1 2 248.326 1.055 20 0 BDADLO CNc1cc(N(C)CCOCC2CC2)nc[nH+]1 ZINC000157081441 640570952 /nfs/dbraw/zinc/57/09/52/640570952.db2.gz BFGHDYCDPFSZMM-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CNc1cc(N(C)CCOCC2CC2)[nH+]cn1 ZINC000157081441 640570958 /nfs/dbraw/zinc/57/09/58/640570958.db2.gz BFGHDYCDPFSZMM-UHFFFAOYSA-N 1 2 236.319 1.381 20 0 BDADLO CCC[C@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604468 640583214 /nfs/dbraw/zinc/58/32/14/640583214.db2.gz WHOGTMHLTZQGBR-ZDUSSCGKSA-N 1 2 249.358 1.737 20 0 BDADLO CCC[C@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932604468 640583216 /nfs/dbraw/zinc/58/32/16/640583216.db2.gz WHOGTMHLTZQGBR-ZDUSSCGKSA-N 1 2 249.358 1.737 20 0 BDADLO O[C@@H](C[N@@H+]1CCn2nc(C3CC3)cc2C1)C1CC1 ZINC000932602698 640583377 /nfs/dbraw/zinc/58/33/77/640583377.db2.gz JXRWNLGKZMUJID-AWEZNQCLSA-N 1 2 247.342 1.347 20 0 BDADLO O[C@@H](C[N@H+]1CCn2nc(C3CC3)cc2C1)C1CC1 ZINC000932602698 640583382 /nfs/dbraw/zinc/58/33/82/640583382.db2.gz JXRWNLGKZMUJID-AWEZNQCLSA-N 1 2 247.342 1.347 20 0 BDADLO CC[NH+]1CC(NC(=O)c2ccsc2)C1 ZINC001030086274 640584495 /nfs/dbraw/zinc/58/44/95/640584495.db2.gz WGAHGRUGQFLRGA-UHFFFAOYSA-N 1 2 210.302 1.182 20 0 BDADLO Cc1nnc(C[NH+]2CCC(F)(C3CC3)CC2)[nH]1 ZINC000932624548 640588052 /nfs/dbraw/zinc/58/80/52/640588052.db2.gz LQERLEJOIKCSSQ-UHFFFAOYSA-N 1 2 238.310 1.827 20 0 BDADLO C[C@@H]1C(=O)CCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000932849482 640622656 /nfs/dbraw/zinc/62/26/56/640622656.db2.gz RJDYJFWXMVAGHN-VXGBXAGGSA-N 1 2 225.332 1.857 20 0 BDADLO C[C@@H]1C(=O)CCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000932849482 640622661 /nfs/dbraw/zinc/62/26/61/640622661.db2.gz RJDYJFWXMVAGHN-VXGBXAGGSA-N 1 2 225.332 1.857 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2cnc(C)s2)C1 ZINC001030144310 640629172 /nfs/dbraw/zinc/62/91/72/640629172.db2.gz HGRCRCVWCRFWGN-UHFFFAOYSA-N 1 2 239.344 1.276 20 0 BDADLO CO[C@H](C[N@@H+]1CC(=O)CC[C@H]1C)[C@H]1CCOC1 ZINC000932880153 640638519 /nfs/dbraw/zinc/63/85/19/640638519.db2.gz WRZBFJTWXFJGAW-NTZNESFSSA-N 1 2 241.331 1.091 20 0 BDADLO CO[C@H](C[N@H+]1CC(=O)CC[C@H]1C)[C@H]1CCOC1 ZINC000932880153 640638524 /nfs/dbraw/zinc/63/85/24/640638524.db2.gz WRZBFJTWXFJGAW-NTZNESFSSA-N 1 2 241.331 1.091 20 0 BDADLO NC(=O)C12CCC(CC1)[N@@H+]2Cc1cncs1 ZINC000932933765 640646872 /nfs/dbraw/zinc/64/68/72/640646872.db2.gz BNAJVFMRWPXKPC-UHFFFAOYSA-N 1 2 237.328 1.125 20 0 BDADLO NC(=O)C12CCC(CC1)[N@H+]2Cc1cncs1 ZINC000932933765 640646877 /nfs/dbraw/zinc/64/68/77/640646877.db2.gz BNAJVFMRWPXKPC-UHFFFAOYSA-N 1 2 237.328 1.125 20 0 BDADLO CC(C)=CC[NH+]1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001030187392 640667040 /nfs/dbraw/zinc/66/70/40/640667040.db2.gz IENOLGYKAUWVJF-NSHDSACASA-N 1 2 236.359 1.799 20 0 BDADLO CC[NH+]1CC(NC(=O)c2cscc2C)C1 ZINC001030195806 640673859 /nfs/dbraw/zinc/67/38/59/640673859.db2.gz IMUUIHGHQQEEPW-UHFFFAOYSA-N 1 2 224.329 1.490 20 0 BDADLO CC[N@H+](Cc1cccnc1)C(C)(C)C(=O)OC ZINC000933186745 640676578 /nfs/dbraw/zinc/67/65/78/640676578.db2.gz DRWVTPPZZALOCW-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CC[N@@H+](Cc1cccnc1)C(C)(C)C(=O)OC ZINC000933186745 640676582 /nfs/dbraw/zinc/67/65/82/640676582.db2.gz DRWVTPPZZALOCW-UHFFFAOYSA-N 1 2 236.315 1.855 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2csnc2C)C1 ZINC001030228348 640697027 /nfs/dbraw/zinc/69/70/27/640697027.db2.gz AJGFKMYBYDKPHH-UHFFFAOYSA-N 1 2 239.344 1.276 20 0 BDADLO CCN(C#N)CC[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933401697 640712754 /nfs/dbraw/zinc/71/27/54/640712754.db2.gz OWMOMJCTFDPGDH-UHFFFAOYSA-N 1 2 234.303 1.022 20 0 BDADLO CCN(C#N)CC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933401697 640712756 /nfs/dbraw/zinc/71/27/56/640712756.db2.gz OWMOMJCTFDPGDH-UHFFFAOYSA-N 1 2 234.303 1.022 20 0 BDADLO COC(C)(C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933644812 640737603 /nfs/dbraw/zinc/73/76/03/640737603.db2.gz WDGJAOVUJOUCAC-UHFFFAOYSA-N 1 2 247.298 1.718 20 0 BDADLO Cl/C=C/C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933667113 640741068 /nfs/dbraw/zinc/74/10/68/640741068.db2.gz PGEULRHDBKKZQP-VJVBKDOFSA-N 1 2 245.750 1.866 20 0 BDADLO Cl/C=C/C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933667113 640741070 /nfs/dbraw/zinc/74/10/70/640741070.db2.gz PGEULRHDBKKZQP-VJVBKDOFSA-N 1 2 245.750 1.866 20 0 BDADLO COC(=O)[C@H](C)[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933875084 640778609 /nfs/dbraw/zinc/77/86/09/640778609.db2.gz MQCHIUYMJMOJOP-WDEREUQCSA-N 1 2 241.331 1.629 20 0 BDADLO CC[NH+]1CC(NC(=O)c2csc(C)c2C)C1 ZINC001030368812 640797530 /nfs/dbraw/zinc/79/75/30/640797530.db2.gz BEPOEIPMDPPEJV-UHFFFAOYSA-N 1 2 238.356 1.799 20 0 BDADLO CNc1cc(N[C@H](C)[C@H](CO)SC)nc[nH+]1 ZINC000228465087 640875574 /nfs/dbraw/zinc/87/55/74/640875574.db2.gz CRLCZMYZRUYTHA-SFYZADRCSA-N 1 2 242.348 1.043 20 0 BDADLO CNc1cc(N[C@H](C)[C@H](CO)SC)[nH+]cn1 ZINC000228465087 640875577 /nfs/dbraw/zinc/87/55/77/640875577.db2.gz CRLCZMYZRUYTHA-SFYZADRCSA-N 1 2 242.348 1.043 20 0 BDADLO CCOC(=O)/C=C/C[N@@H+]1CCOC[C@@H]1CC ZINC000087638709 640952849 /nfs/dbraw/zinc/95/28/49/640952849.db2.gz PABXZXXLMARALL-QRGHLMKCSA-N 1 2 227.304 1.217 20 0 BDADLO CCOC(=O)/C=C/C[N@H+]1CCOC[C@@H]1CC ZINC000087638709 640952851 /nfs/dbraw/zinc/95/28/51/640952851.db2.gz PABXZXXLMARALL-QRGHLMKCSA-N 1 2 227.304 1.217 20 0 BDADLO CCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000087811135 641049897 /nfs/dbraw/zinc/04/98/97/641049897.db2.gz BPRUEHGRCGTAGE-QMMMGPOBSA-N 1 2 210.281 1.091 20 0 BDADLO CCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000087811135 641049899 /nfs/dbraw/zinc/04/98/99/641049899.db2.gz BPRUEHGRCGTAGE-QMMMGPOBSA-N 1 2 210.281 1.091 20 0 BDADLO CCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000087810742 641052539 /nfs/dbraw/zinc/05/25/39/641052539.db2.gz GOBAFPLRNBSFGX-MRVPVSSYSA-N 1 2 210.281 1.091 20 0 BDADLO CCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000087810742 641052542 /nfs/dbraw/zinc/05/25/42/641052542.db2.gz GOBAFPLRNBSFGX-MRVPVSSYSA-N 1 2 210.281 1.091 20 0 BDADLO CNc1cc(N2C[C@@H](C)S[C@H](C)C2)nc[nH+]1 ZINC000087830973 641062955 /nfs/dbraw/zinc/06/29/55/641062955.db2.gz HJESEIDNQULQIL-RKDXNWHRSA-N 1 2 238.360 1.849 20 0 BDADLO CNc1cc(N2C[C@@H](C)S[C@H](C)C2)[nH+]cn1 ZINC000087830973 641062960 /nfs/dbraw/zinc/06/29/60/641062960.db2.gz HJESEIDNQULQIL-RKDXNWHRSA-N 1 2 238.360 1.849 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@@H](C)C2)nc[nH+]1 ZINC000087838350 641066017 /nfs/dbraw/zinc/06/60/17/641066017.db2.gz OYSFZEZLQQLZJP-IUCAKERBSA-N 1 2 206.293 1.611 20 0 BDADLO CNc1cc(N2C[C@H](C)[C@@H](C)C2)[nH+]cn1 ZINC000087838350 641066024 /nfs/dbraw/zinc/06/60/24/641066024.db2.gz OYSFZEZLQQLZJP-IUCAKERBSA-N 1 2 206.293 1.611 20 0 BDADLO CCCNc1cc(N[C@H]2CCOC2)nc[nH+]1 ZINC000087839077 641070171 /nfs/dbraw/zinc/07/01/71/641070171.db2.gz MWCZBMSYLKVIRI-VIFPVBQESA-N 1 2 222.292 1.499 20 0 BDADLO CCCNc1cc(N[C@H]2CCOC2)[nH+]cn1 ZINC000087839077 641070173 /nfs/dbraw/zinc/07/01/73/641070173.db2.gz MWCZBMSYLKVIRI-VIFPVBQESA-N 1 2 222.292 1.499 20 0 BDADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(C)on1 ZINC000934106493 641070463 /nfs/dbraw/zinc/07/04/63/641070463.db2.gz ISCBATGRGVWRSI-MNOVXSKESA-N 1 2 210.277 1.592 20 0 BDADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(C)on1 ZINC000934106493 641070466 /nfs/dbraw/zinc/07/04/66/641070466.db2.gz ISCBATGRGVWRSI-MNOVXSKESA-N 1 2 210.277 1.592 20 0 BDADLO CCc1nnc(C[N@H+](C)[C@@H]2CC[C@H]2OC)o1 ZINC000934125455 641087596 /nfs/dbraw/zinc/08/75/96/641087596.db2.gz GXTSOHSLUZIJJO-RKDXNWHRSA-N 1 2 225.292 1.241 20 0 BDADLO CCc1nnc(C[N@@H+](C)[C@@H]2CC[C@H]2OC)o1 ZINC000934125455 641087603 /nfs/dbraw/zinc/08/76/03/641087603.db2.gz GXTSOHSLUZIJJO-RKDXNWHRSA-N 1 2 225.292 1.241 20 0 BDADLO CCC[C@](C)(O)CNc1cc(NC)nc[nH+]1 ZINC000230726119 641090402 /nfs/dbraw/zinc/09/04/02/641090402.db2.gz XSOJAKZEFMUDNS-NSHDSACASA-N 1 2 224.308 1.481 20 0 BDADLO CC[C@H]([NH2+][C@@H](C)Cc1cccnc1)C(=O)OC ZINC000934231235 641108655 /nfs/dbraw/zinc/10/86/55/641108655.db2.gz NYQRXTKZZGCOPV-JQWIXIFHSA-N 1 2 236.315 1.554 20 0 BDADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934234379 641111111 /nfs/dbraw/zinc/11/11/11/641111111.db2.gz LRDUMRFUVVHVEV-GHMZBOCLSA-N 1 2 236.315 1.554 20 0 BDADLO COC(=O)C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934329874 641126172 /nfs/dbraw/zinc/12/61/72/641126172.db2.gz KDUNGYDKABPVIT-SECBINFHSA-N 1 2 240.328 1.181 20 0 BDADLO COC(=O)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934329874 641126188 /nfs/dbraw/zinc/12/61/88/641126188.db2.gz KDUNGYDKABPVIT-SECBINFHSA-N 1 2 240.328 1.181 20 0 BDADLO Nc1cnc(C[N@@H+]2CCc3sccc3C2)cn1 ZINC000231294229 641157229 /nfs/dbraw/zinc/15/72/29/641157229.db2.gz JFVAIRCUFCKHKF-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Nc1cnc(C[N@H+]2CCc3sccc3C2)cn1 ZINC000231294229 641157231 /nfs/dbraw/zinc/15/72/31/641157231.db2.gz JFVAIRCUFCKHKF-UHFFFAOYSA-N 1 2 246.339 1.679 20 0 BDADLO Cc1ccncc1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934565978 641198054 /nfs/dbraw/zinc/19/80/54/641198054.db2.gz JGKLPIJDUUWDIL-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1ccncc1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934565978 641198060 /nfs/dbraw/zinc/19/80/60/641198060.db2.gz JGKLPIJDUUWDIL-NWDGAFQWSA-N 1 2 224.279 1.295 20 0 BDADLO Cc1nc(CC[N@@H+]2CC[C@H](O)[C@H](F)C2)cs1 ZINC000934570662 641199996 /nfs/dbraw/zinc/19/99/96/641199996.db2.gz MHKSZUYTFOSXPB-MNOVXSKESA-N 1 2 244.335 1.399 20 0 BDADLO Cc1nc(CC[N@H+]2CC[C@H](O)[C@H](F)C2)cs1 ZINC000934570662 641200001 /nfs/dbraw/zinc/20/00/01/641200001.db2.gz MHKSZUYTFOSXPB-MNOVXSKESA-N 1 2 244.335 1.399 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@@H]2CC2(Cl)Cl)C[C@H]1F ZINC000934579542 641207479 /nfs/dbraw/zinc/20/74/79/641207479.db2.gz BVVDKABDTQKJKV-XLPZGREQSA-N 1 2 242.121 1.585 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C[C@H]1F ZINC000934579542 641207483 /nfs/dbraw/zinc/20/74/83/641207483.db2.gz BVVDKABDTQKJKV-XLPZGREQSA-N 1 2 242.121 1.585 20 0 BDADLO O[C@@H]1CC[N@H+](C[C@H]2CC2(Cl)Cl)C[C@H]1F ZINC000934579539 641208627 /nfs/dbraw/zinc/20/86/27/641208627.db2.gz BVVDKABDTQKJKV-BWZBUEFSSA-N 1 2 242.121 1.585 20 0 BDADLO O[C@@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C[C@H]1F ZINC000934579539 641208631 /nfs/dbraw/zinc/20/86/31/641208631.db2.gz BVVDKABDTQKJKV-BWZBUEFSSA-N 1 2 242.121 1.585 20 0 BDADLO C[C@@H](c1nc(C[C@@H]2CCCO2)no1)[NH+](C)C ZINC000350590336 641363589 /nfs/dbraw/zinc/36/35/89/641363589.db2.gz DYDLUQQSIXFUPY-IUCAKERBSA-N 1 2 225.292 1.414 20 0 BDADLO C[C@@H](c1nc([C@H]2CCO[C@H](C)C2)no1)[NH+](C)C ZINC000350609416 641372266 /nfs/dbraw/zinc/37/22/66/641372266.db2.gz VCLVTXAHLMRILI-UTLUCORTSA-N 1 2 239.319 1.975 20 0 BDADLO C[C@@H](c1nc([C@H]2CCO[C@@H](C)C2)no1)[NH+](C)C ZINC000350609413 641372833 /nfs/dbraw/zinc/37/28/33/641372833.db2.gz VCLVTXAHLMRILI-GUBZILKMSA-N 1 2 239.319 1.975 20 0 BDADLO Cc1nc(C(=O)NC2C[NH+](C(C)C)C2)cs1 ZINC001030835347 641374718 /nfs/dbraw/zinc/37/47/18/641374718.db2.gz HNJSZDPGXRFOIH-UHFFFAOYSA-N 1 2 239.344 1.274 20 0 BDADLO CC(C)OCCC[N@H+](C)Cc1nncs1 ZINC000929697345 641401852 /nfs/dbraw/zinc/40/18/52/641401852.db2.gz SSYWPYPOQKZLFX-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO CC(C)OCCC[N@@H+](C)Cc1nncs1 ZINC000929697345 641401856 /nfs/dbraw/zinc/40/18/56/641401856.db2.gz SSYWPYPOQKZLFX-UHFFFAOYSA-N 1 2 229.349 1.785 20 0 BDADLO C[C@H](CC(=O)N=S(C)(C)=O)n1cc[nH+]c1 ZINC000913639787 641442366 /nfs/dbraw/zinc/44/23/66/641442366.db2.gz UAPCKJNCBNWPEI-MRVPVSSYSA-N 1 2 229.305 1.088 20 0 BDADLO O=C(CNc1cccc[nH+]1)N[C@@]12C[C@@H]1CCCC2 ZINC000913658586 641450833 /nfs/dbraw/zinc/45/08/33/641450833.db2.gz NMQBZJXRHPMKTR-FZMZJTMJSA-N 1 2 245.326 1.942 20 0 BDADLO CC[NH+]1CC(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001030939558 641474331 /nfs/dbraw/zinc/47/43/31/641474331.db2.gz CAGXLXDWITZGLO-VIFPVBQESA-N 1 2 246.301 1.632 20 0 BDADLO CC[N@H+](CCC(C)=O)[C@@H](C)CS(=O)(=O)CC ZINC000155972163 641589031 /nfs/dbraw/zinc/58/90/31/641589031.db2.gz KGTFVCJSGGRBSY-JTQLQIEISA-N 1 2 249.376 1.111 20 0 BDADLO CC[N@@H+](CCC(C)=O)[C@@H](C)CS(=O)(=O)CC ZINC000155972163 641589035 /nfs/dbraw/zinc/58/90/35/641589035.db2.gz KGTFVCJSGGRBSY-JTQLQIEISA-N 1 2 249.376 1.111 20 0 BDADLO CCON(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000831458681 641596701 /nfs/dbraw/zinc/59/67/01/641596701.db2.gz QZLBFXYXRCOTQX-JTQLQIEISA-N 1 2 237.303 1.246 20 0 BDADLO C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000157381265 641618213 /nfs/dbraw/zinc/61/82/13/641618213.db2.gz RWDAELJMSPFNJO-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000157381265 641618219 /nfs/dbraw/zinc/61/82/19/641618219.db2.gz RWDAELJMSPFNJO-LLVKDONJSA-N 1 2 241.722 1.477 20 0 BDADLO C=C/C=C\CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000914404024 641660991 /nfs/dbraw/zinc/66/09/91/641660991.db2.gz NWZCBQULZKRXSP-ARJAWSKDSA-N 1 2 205.261 1.201 20 0 BDADLO C=C/C=C\CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000914404771 641661422 /nfs/dbraw/zinc/66/14/22/641661422.db2.gz XSLLFFWEEBTEHR-PLNGDYQASA-N 1 2 219.288 1.509 20 0 BDADLO CCC[NH+]1CC(NC(=O)c2coc(C3CC3)n2)C1 ZINC001031061723 641677920 /nfs/dbraw/zinc/67/79/20/641677920.db2.gz NOOQRLHVIQAMKE-UHFFFAOYSA-N 1 2 249.314 1.376 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1CCF ZINC000992948950 641682340 /nfs/dbraw/zinc/68/23/40/641682340.db2.gz NVFKCHRENBVJFF-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1CCF ZINC000992948950 641682345 /nfs/dbraw/zinc/68/23/45/641682345.db2.gz NVFKCHRENBVJFF-SFYZADRCSA-N 1 2 238.253 1.190 20 0 BDADLO CCC[NH+]1CC(NC(=O)C2(F)CCCCC2)C1 ZINC001031199168 641802040 /nfs/dbraw/zinc/80/20/40/641802040.db2.gz MLLYRGSLPMSLHM-UHFFFAOYSA-N 1 2 242.338 1.869 20 0 BDADLO CC1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CC=CC1 ZINC001015653028 641860922 /nfs/dbraw/zinc/86/09/22/641860922.db2.gz GWNJEAWPBLVXEV-NSHDSACASA-N 1 2 240.322 1.503 20 0 BDADLO CC1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CC=CC1 ZINC001015653028 641860927 /nfs/dbraw/zinc/86/09/27/641860927.db2.gz GWNJEAWPBLVXEV-NSHDSACASA-N 1 2 240.322 1.503 20 0 BDADLO Cc1cc(N)nc(SC[C@@](C)(O)C(F)F)[nH+]1 ZINC000916177949 641914577 /nfs/dbraw/zinc/91/45/77/641914577.db2.gz WVOFOHRCZMTANS-SECBINFHSA-N 1 2 249.286 1.475 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@@H+]1C/C(Cl)=C\Cl ZINC000308047814 642345531 /nfs/dbraw/zinc/34/55/31/642345531.db2.gz QGTCNCTUWGDBTM-CMLODEHUSA-N 1 2 210.104 1.761 20 0 BDADLO C[C@@H]1C[C@@H](O)C[N@H+]1C/C(Cl)=C\Cl ZINC000308047814 642345543 /nfs/dbraw/zinc/34/55/43/642345543.db2.gz QGTCNCTUWGDBTM-CMLODEHUSA-N 1 2 210.104 1.761 20 0 BDADLO O=C(NCC1C[NH+](CCF)C1)C1=CCCC1 ZINC001031612127 642379389 /nfs/dbraw/zinc/37/93/89/642379389.db2.gz GSUVJLOSBIGIMF-UHFFFAOYSA-N 1 2 226.295 1.114 20 0 BDADLO C[N@@H+](Cc1nncs1)C[C@@H]1CCC[C@@H]1O ZINC000930094981 642383349 /nfs/dbraw/zinc/38/33/49/642383349.db2.gz APZZDAIPJAFSPG-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO C[N@H+](Cc1nncs1)C[C@@H]1CCC[C@@H]1O ZINC000930094981 642383352 /nfs/dbraw/zinc/38/33/52/642383352.db2.gz APZZDAIPJAFSPG-IUCAKERBSA-N 1 2 227.333 1.131 20 0 BDADLO CCn1c[nH+]c2c1CCN(Cc1conc1C)C2 ZINC000933256751 642425387 /nfs/dbraw/zinc/42/53/87/642425387.db2.gz OUBZDDQPKPYIKC-UHFFFAOYSA-N 1 2 246.314 1.758 20 0 BDADLO CCC/C=C\C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000920454378 642499655 /nfs/dbraw/zinc/49/96/55/642499655.db2.gz LOCVUOKHGOCOMS-FOQNGQEVSA-N 1 2 240.347 1.180 20 0 BDADLO CCC/C=C\C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000920464538 642502068 /nfs/dbraw/zinc/50/20/68/642502068.db2.gz IMISXVKFDQVMCG-FOQNGQEVSA-N 1 2 240.347 1.180 20 0 BDADLO CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC000960352426 642663928 /nfs/dbraw/zinc/66/39/28/642663928.db2.gz YUTOAVBGLGAZAY-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC000960352426 642663931 /nfs/dbraw/zinc/66/39/31/642663931.db2.gz YUTOAVBGLGAZAY-GFCCVEGCSA-N 1 2 237.303 1.117 20 0 BDADLO C[C@@H]1CC[N@H+](CCF)C[C@@H]1NC(=O)C(C)(C)F ZINC000964624760 642761453 /nfs/dbraw/zinc/76/14/53/642761453.db2.gz YJTORUDIIMMBHT-ZJUUUORDSA-N 1 2 248.317 1.531 20 0 BDADLO C[C@@H]1CC[N@@H+](CCF)C[C@@H]1NC(=O)C(C)(C)F ZINC000964624760 642761459 /nfs/dbraw/zinc/76/14/59/642761459.db2.gz YJTORUDIIMMBHT-ZJUUUORDSA-N 1 2 248.317 1.531 20 0 BDADLO C[C@@H]1C[N@H+](CN2CCOC2=S)CC(C)(C)O1 ZINC000068462271 642772811 /nfs/dbraw/zinc/77/28/11/642772811.db2.gz NUZXVGHMSHWHED-SECBINFHSA-N 1 2 244.360 1.060 20 0 BDADLO C[C@@H]1C[N@@H+](CN2CCOC2=S)CC(C)(C)O1 ZINC000068462271 642772826 /nfs/dbraw/zinc/77/28/26/642772826.db2.gz NUZXVGHMSHWHED-SECBINFHSA-N 1 2 244.360 1.060 20 0 BDADLO CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001009790001 642837855 /nfs/dbraw/zinc/83/78/55/642837855.db2.gz YSQWXUVLEIMHCP-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001009790001 642837858 /nfs/dbraw/zinc/83/78/58/642837858.db2.gz YSQWXUVLEIMHCP-LLVKDONJSA-N 1 2 237.303 1.002 20 0 BDADLO CC(C)COC(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000181435515 642872211 /nfs/dbraw/zinc/87/22/11/642872211.db2.gz GYPNVFBZSRWPEQ-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO CC(C)COC(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000181435515 642872212 /nfs/dbraw/zinc/87/22/12/642872212.db2.gz GYPNVFBZSRWPEQ-NSHDSACASA-N 1 2 229.320 1.296 20 0 BDADLO Cc1nonc1C[NH2+]Cc1ccsc1 ZINC000069795232 642907559 /nfs/dbraw/zinc/90/75/59/642907559.db2.gz AOHAITXYFXNWFD-UHFFFAOYSA-N 1 2 209.274 1.729 20 0 BDADLO CC[N@H+](CC1CC1)Cn1nc2ccccn2c1=O ZINC000069797141 642910320 /nfs/dbraw/zinc/91/03/20/642910320.db2.gz BQYNBNKQHBCMFD-UHFFFAOYSA-N 1 2 246.314 1.185 20 0 BDADLO CC[N@@H+](CC1CC1)Cn1nc2ccccn2c1=O ZINC000069797141 642910327 /nfs/dbraw/zinc/91/03/27/642910327.db2.gz BQYNBNKQHBCMFD-UHFFFAOYSA-N 1 2 246.314 1.185 20 0 BDADLO C[N@@H+](Cc1ccc(F)c(F)c1)Cn1cnnc1 ZINC000182570715 643034880 /nfs/dbraw/zinc/03/48/80/643034880.db2.gz FAKFSLAHJIWJSI-UHFFFAOYSA-N 1 2 238.241 1.646 20 0 BDADLO C[N@H+](Cc1ccc(F)c(F)c1)Cn1cnnc1 ZINC000182570715 643034885 /nfs/dbraw/zinc/03/48/85/643034885.db2.gz FAKFSLAHJIWJSI-UHFFFAOYSA-N 1 2 238.241 1.646 20 0 BDADLO c1nncn1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000182596758 643037299 /nfs/dbraw/zinc/03/72/99/643037299.db2.gz XTVFAQMHFVPXKZ-UHFFFAOYSA-N 1 2 236.319 1.271 20 0 BDADLO c1nncn1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000182596758 643037316 /nfs/dbraw/zinc/03/73/16/643037316.db2.gz XTVFAQMHFVPXKZ-UHFFFAOYSA-N 1 2 236.319 1.271 20 0 BDADLO COC(=O)/C(C)=C\C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000252665071 643085800 /nfs/dbraw/zinc/08/58/00/643085800.db2.gz CDXCETXOKJTAQF-ZUBHOKJJSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C\C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000252665071 643085810 /nfs/dbraw/zinc/08/58/10/643085810.db2.gz CDXCETXOKJTAQF-ZUBHOKJJSA-N 1 2 227.304 1.215 20 0 BDADLO CNc1cc(N2C[C@H](C)C[C@H]2C)nc[nH+]1 ZINC000158422868 643129035 /nfs/dbraw/zinc/12/90/35/643129035.db2.gz ATODRQZGNAGIQW-RKDXNWHRSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2C[C@H](C)C[C@H]2C)[nH+]cn1 ZINC000158422868 643129042 /nfs/dbraw/zinc/12/90/42/643129042.db2.gz ATODRQZGNAGIQW-RKDXNWHRSA-N 1 2 206.293 1.753 20 0 BDADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nn2)CC[C@H]1O ZINC000253207123 643184014 /nfs/dbraw/zinc/18/40/14/643184014.db2.gz XMSNEGYZZBVZMH-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)CC[C@H]1O ZINC000253207123 643184020 /nfs/dbraw/zinc/18/40/20/643184020.db2.gz XMSNEGYZZBVZMH-PSASIEDQSA-N 1 2 241.722 1.333 20 0 BDADLO CC[C@]1(C)C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032091239 643247750 /nfs/dbraw/zinc/24/77/50/643247750.db2.gz LHMKDNJYZZLSDJ-WCQYABFASA-N 1 2 242.338 1.440 20 0 BDADLO CCC1(CC)C[N@H+](CCC(C)=O)CC[S@]1=O ZINC000185268093 643281712 /nfs/dbraw/zinc/28/17/12/643281712.db2.gz MUTPNTNWQQQOAR-MRXNPFEDSA-N 1 2 245.388 1.589 20 0 BDADLO CCC1(CC)C[N@@H+](CCC(C)=O)CC[S@]1=O ZINC000185268093 643281720 /nfs/dbraw/zinc/28/17/20/643281720.db2.gz MUTPNTNWQQQOAR-MRXNPFEDSA-N 1 2 245.388 1.589 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000091507465 643329302 /nfs/dbraw/zinc/32/93/02/643329302.db2.gz NBKSMXKDTUBLKT-UHFFFAOYSA-N 1 2 240.278 1.277 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000091507465 643329307 /nfs/dbraw/zinc/32/93/07/643329307.db2.gz NBKSMXKDTUBLKT-UHFFFAOYSA-N 1 2 240.278 1.277 20 0 BDADLO CON(C)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000091507801 643330341 /nfs/dbraw/zinc/33/03/41/643330341.db2.gz MKGGNKMQOWOJQI-UHFFFAOYSA-N 1 2 228.317 1.200 20 0 BDADLO CON(C)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000091507801 643330344 /nfs/dbraw/zinc/33/03/44/643330344.db2.gz MKGGNKMQOWOJQI-UHFFFAOYSA-N 1 2 228.317 1.200 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000160273619 643337028 /nfs/dbraw/zinc/33/70/28/643337028.db2.gz IPTDJJCBFPYBCS-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160273619 643337036 /nfs/dbraw/zinc/33/70/36/643337036.db2.gz IPTDJJCBFPYBCS-NEPJUHHUSA-N 1 2 243.347 1.829 20 0 BDADLO CC(C)=CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCF ZINC001032263324 643413475 /nfs/dbraw/zinc/41/34/75/643413475.db2.gz QBELFECISZOOQQ-QWRGUYRKSA-N 1 2 226.295 1.207 20 0 BDADLO CC(C)=CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCF ZINC001032263324 643413478 /nfs/dbraw/zinc/41/34/78/643413478.db2.gz QBELFECISZOOQQ-QWRGUYRKSA-N 1 2 226.295 1.207 20 0 BDADLO O[C@H]1CC[N@H+](Cc2occc2Br)C1 ZINC000307188463 643418498 /nfs/dbraw/zinc/41/84/98/643418498.db2.gz BKMROBUWDSKQCS-ZETCQYMHSA-N 1 2 246.104 1.609 20 0 BDADLO O[C@H]1CC[N@@H+](Cc2occc2Br)C1 ZINC000307188463 643418508 /nfs/dbraw/zinc/41/85/08/643418508.db2.gz BKMROBUWDSKQCS-ZETCQYMHSA-N 1 2 246.104 1.609 20 0 BDADLO C[C@@H]([NH2+]Cc1cscn1)c1cnn(C)c1 ZINC000082626013 643519592 /nfs/dbraw/zinc/51/95/92/643519592.db2.gz UXLULJFIPQBUMI-MRVPVSSYSA-N 1 2 222.317 1.727 20 0 BDADLO CCn1cc(C[NH2+][C@H](C)c2ncc[nH]2)cn1 ZINC000234209983 643591730 /nfs/dbraw/zinc/59/17/30/643591730.db2.gz TTXYILWLOYMYBE-SECBINFHSA-N 1 2 219.292 1.477 20 0 BDADLO Cn1nc2c(c1C[NH2+]Cc1nccs1)CCC2 ZINC000921562226 643611458 /nfs/dbraw/zinc/61/14/58/643611458.db2.gz KNUQIFKSTAQLOQ-UHFFFAOYSA-N 1 2 248.355 1.655 20 0 BDADLO C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970931041 643620943 /nfs/dbraw/zinc/62/09/43/643620943.db2.gz FWPLHVOEUUJRCV-GFCCVEGCSA-N 1 2 249.314 1.117 20 0 BDADLO C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970931041 643620946 /nfs/dbraw/zinc/62/09/46/643620946.db2.gz FWPLHVOEUUJRCV-GFCCVEGCSA-N 1 2 249.314 1.117 20 0 BDADLO Oc1ccccc1SCC[NH+]1CCOCC1 ZINC000050046971 643629874 /nfs/dbraw/zinc/62/98/74/643629874.db2.gz VLWTUMKKNWZJAL-UHFFFAOYSA-N 1 2 239.340 1.817 20 0 BDADLO CC[C@H]1C[N@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000084002403 643641272 /nfs/dbraw/zinc/64/12/72/643641272.db2.gz OAORWVPCIHRKRI-VQNWOSHQSA-N 1 2 227.304 1.217 20 0 BDADLO CC[C@H]1C[N@@H+](C/C=C(/C)C(=O)OC)CCO1 ZINC000084002403 643641276 /nfs/dbraw/zinc/64/12/76/643641276.db2.gz OAORWVPCIHRKRI-VQNWOSHQSA-N 1 2 227.304 1.217 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084002143 643641313 /nfs/dbraw/zinc/64/13/13/643641313.db2.gz LDEBLVJKKWVJHB-RCNKOFRFSA-N 1 2 227.304 1.215 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000084002143 643641317 /nfs/dbraw/zinc/64/13/17/643641317.db2.gz LDEBLVJKKWVJHB-RCNKOFRFSA-N 1 2 227.304 1.215 20 0 BDADLO CC[C@H](C)[C@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC ZINC000050268785 643670319 /nfs/dbraw/zinc/67/03/19/643670319.db2.gz IEFGPZRFERERFD-SRVKXCTJSA-N 1 2 241.331 1.856 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000354337712 643772046 /nfs/dbraw/zinc/77/20/46/643772046.db2.gz XWQGSVUPTZVNLT-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO CC[C@@H]1C[C@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000354337712 643772049 /nfs/dbraw/zinc/77/20/49/643772049.db2.gz XWQGSVUPTZVNLT-CMPLNLGQSA-N 1 2 235.331 1.989 20 0 BDADLO CCO[C@@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922365085 643981692 /nfs/dbraw/zinc/98/16/92/643981692.db2.gz VEKGPVUVLJYAHV-VHSXEESVSA-N 1 2 236.271 1.132 20 0 BDADLO CCO[C@H]1C[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922365084 643982606 /nfs/dbraw/zinc/98/26/06/643982606.db2.gz VEKGPVUVLJYAHV-UWVGGRQHSA-N 1 2 236.271 1.132 20 0 BDADLO C[C@@H](C(=O)OCc1ccc(N)[nH+]c1)C(F)(F)F ZINC000922496878 644003405 /nfs/dbraw/zinc/00/34/05/644003405.db2.gz DVWWGHXFQVVXDA-LURJTMIESA-N 1 2 248.204 1.905 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C/C1CC1 ZINC000922497760 644003809 /nfs/dbraw/zinc/00/38/09/644003809.db2.gz YBCFCMGKGGXLSE-AATRIKPKSA-N 1 2 218.256 1.673 20 0 BDADLO Nc1[nH+]cccc1COC(=O)/C=C\C1CC1 ZINC000922497762 644004150 /nfs/dbraw/zinc/00/41/50/644004150.db2.gz YBCFCMGKGGXLSE-WAYWQWQTSA-N 1 2 218.256 1.673 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000922493164 644004612 /nfs/dbraw/zinc/00/46/12/644004612.db2.gz LYIFERHLXIPEOH-GRYCIOLGSA-N 1 2 241.331 1.296 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000922493164 644004617 /nfs/dbraw/zinc/00/46/17/644004617.db2.gz LYIFERHLXIPEOH-GRYCIOLGSA-N 1 2 241.331 1.296 20 0 BDADLO C/C=C(\C)C(=O)OCc1ccc[nH+]c1N ZINC000922512693 644009227 /nfs/dbraw/zinc/00/92/27/644009227.db2.gz RZUGIZZUXOLPDE-FPYGCLRLSA-N 1 2 206.245 1.673 20 0 BDADLO Nc1[nH+]cccc1COC(=O)C1CCC(=O)CC1 ZINC000922511436 644009446 /nfs/dbraw/zinc/00/94/46/644009446.db2.gz LAWONZCJEZWKJX-UHFFFAOYSA-N 1 2 248.282 1.466 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)N[C@]12C[C@H]1CCC2 ZINC000922514745 644010561 /nfs/dbraw/zinc/01/05/61/644010561.db2.gz GNXHHZOTXWMZKB-BXKDBHETSA-N 1 2 234.303 1.162 20 0 BDADLO Cn1c[nH+]cc1CNC(=O)NC[C@]12C[C@H]1CCC2 ZINC000922514726 644010840 /nfs/dbraw/zinc/01/08/40/644010840.db2.gz GDWNWGGPGKDCPZ-MFKMUULPSA-N 1 2 248.330 1.410 20 0 BDADLO COC[C@@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922522225 644012002 /nfs/dbraw/zinc/01/20/02/644012002.db2.gz RULVGAADKVWRGY-VIFPVBQESA-N 1 2 238.287 1.380 20 0 BDADLO C[C@@]1(C(=O)OCc2ccc[nH+]c2N)CCCO1 ZINC000922521284 644012417 /nfs/dbraw/zinc/01/24/17/644012417.db2.gz YMSAQACFFHKTPM-LBPRGKRZSA-N 1 2 236.271 1.276 20 0 BDADLO C[C@@](O)(C[NH2+]Cc1ccn[nH]1)c1cccc(F)c1 ZINC000922563717 644024782 /nfs/dbraw/zinc/02/47/82/644024782.db2.gz LDYXIYIBFKRRGP-CYBMUJFWSA-N 1 2 249.289 1.546 20 0 BDADLO Nc1[nH+]cccc1COC(=O)[C@H]1C[C@@H]1C(F)F ZINC000922708467 644073820 /nfs/dbraw/zinc/07/38/20/644073820.db2.gz WLGUKAUQEIDNPD-YUMQZZPRSA-N 1 2 242.225 1.608 20 0 BDADLO C[C@H](C(=O)OCc1ccc(N)[nH+]c1)C(C)(F)F ZINC000922765532 644089771 /nfs/dbraw/zinc/08/97/71/644089771.db2.gz BMFGQIWMQGSIMF-SSDOTTSWSA-N 1 2 244.241 1.998 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@@H]1C[N@H+](C)C[C@H](C)O1 ZINC000922881962 644126387 /nfs/dbraw/zinc/12/63/87/644126387.db2.gz KKPSZNUYTRAMFI-USZNOCQGSA-N 1 2 241.331 1.295 20 0 BDADLO CC[C@@H]1C[C@H]1COC(=O)[C@@H]1C[N@@H+](C)C[C@H](C)O1 ZINC000922881962 644126391 /nfs/dbraw/zinc/12/63/91/644126391.db2.gz KKPSZNUYTRAMFI-USZNOCQGSA-N 1 2 241.331 1.295 20 0 BDADLO Cc1ncc(CC(=O)OCc2ccc[nH+]c2N)o1 ZINC000922945127 644197170 /nfs/dbraw/zinc/19/71/70/644197170.db2.gz ZIDGLAIAWAZQRE-UHFFFAOYSA-N 1 2 247.254 1.246 20 0 BDADLO COCC[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000088509937 644521234 /nfs/dbraw/zinc/52/12/34/644521234.db2.gz VRNFSUXYNSWSKG-VIFPVBQESA-N 1 2 240.278 1.888 20 0 BDADLO C[C@H]1C[N@H+](CCN2OC3CCC2CC3)CCO1 ZINC000640229904 644617488 /nfs/dbraw/zinc/61/74/88/644617488.db2.gz FLJMTDHIYSBTEI-HIFPTAJRSA-N 1 2 240.347 1.266 20 0 BDADLO C[C@H]1C[N@@H+](CCN2OC3CCC2CC3)CCO1 ZINC000640229904 644617494 /nfs/dbraw/zinc/61/74/94/644617494.db2.gz FLJMTDHIYSBTEI-HIFPTAJRSA-N 1 2 240.347 1.266 20 0 BDADLO C[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000763964938 644656529 /nfs/dbraw/zinc/65/65/29/644656529.db2.gz WERAGXJKQMRXRY-ZETCQYMHSA-N 1 2 242.216 1.097 20 0 BDADLO C[NH+]1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000763964938 644656531 /nfs/dbraw/zinc/65/65/31/644656531.db2.gz WERAGXJKQMRXRY-ZETCQYMHSA-N 1 2 242.216 1.097 20 0 BDADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000766846308 644671657 /nfs/dbraw/zinc/67/16/57/644671657.db2.gz JZGBELHPMNEFBT-BDAKNGLRSA-N 1 2 221.308 1.022 20 0 BDADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000766846308 644671662 /nfs/dbraw/zinc/67/16/62/644671662.db2.gz JZGBELHPMNEFBT-BDAKNGLRSA-N 1 2 221.308 1.022 20 0 BDADLO Cn1c[nH+]cc1CCOC(=O)c1cncc(F)c1 ZINC000793238437 644801280 /nfs/dbraw/zinc/80/12/80/644801280.db2.gz NZCHQTWXHZCJSI-UHFFFAOYSA-N 1 2 249.245 1.354 20 0 BDADLO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)[C@H]1C[NH3+] ZINC000252203665 644842849 /nfs/dbraw/zinc/84/28/49/644842849.db2.gz UQFCYRZEUMVRAD-VHDGCEQUSA-N 1 2 248.370 1.779 20 0 BDADLO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)[C@H]1C[NH3+] ZINC000252203665 644842853 /nfs/dbraw/zinc/84/28/53/644842853.db2.gz UQFCYRZEUMVRAD-VHDGCEQUSA-N 1 2 248.370 1.779 20 0 BDADLO CC[C@H](C)[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC ZINC000252421550 644848895 /nfs/dbraw/zinc/84/88/95/644848895.db2.gz ZIMPCZHPYKXCGW-LPEHRKFASA-N 1 2 231.361 1.669 20 0 BDADLO COC[C@@]1(C)CC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000840104737 644866911 /nfs/dbraw/zinc/86/69/11/644866911.db2.gz PAOZXRFEPPOEPP-NSHDSACASA-N 1 2 243.738 1.852 20 0 BDADLO COC[C@@]1(C)CC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000840104737 644866914 /nfs/dbraw/zinc/86/69/14/644866914.db2.gz PAOZXRFEPPOEPP-NSHDSACASA-N 1 2 243.738 1.852 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000304341157 644893266 /nfs/dbraw/zinc/89/32/66/644893266.db2.gz TUHWAKXSJUPFGO-MNOVXSKESA-N 1 2 229.320 1.175 20 0 BDADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](O)C1 ZINC000304341157 644893267 /nfs/dbraw/zinc/89/32/67/644893267.db2.gz TUHWAKXSJUPFGO-MNOVXSKESA-N 1 2 229.320 1.175 20 0 BDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\[C@H]1CCCO1 ZINC000819111306 645004849 /nfs/dbraw/zinc/00/48/49/645004849.db2.gz NSNYZXJFXHZEGR-XLMCQVRKSA-N 1 2 249.314 1.123 20 0 BDADLO CCn1nc(C)c(C[NH+]2CC(CCOC)C2)n1 ZINC000826893862 645068641 /nfs/dbraw/zinc/06/86/41/645068641.db2.gz DMJJZPXICXRCEW-UHFFFAOYSA-N 1 2 238.335 1.075 20 0 BDADLO COC[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000829499488 645109556 /nfs/dbraw/zinc/10/95/56/645109556.db2.gz RXZZQNQEAFJGKN-VIFPVBQESA-N 1 2 249.270 1.049 20 0 BDADLO COc1cccnc1C[NH2+][C@H](C)c1cnnn1C ZINC000926549052 645272180 /nfs/dbraw/zinc/27/21/80/645272180.db2.gz GILIYMYBSQRVCF-SECBINFHSA-N 1 2 247.302 1.070 20 0 BDADLO Cc1cnc(NC(=O)C[C@H](C)n2cc[nH+]c2)nc1 ZINC000844430083 645333034 /nfs/dbraw/zinc/33/30/34/645333034.db2.gz WRQBNNOLLAFUHY-JTQLQIEISA-N 1 2 245.286 1.571 20 0 BDADLO COCc1cc[nH+]c(N[C@H](C)c2cnn(C)n2)c1 ZINC000926657757 645339707 /nfs/dbraw/zinc/33/97/07/645339707.db2.gz APRRMRZOSJWQJX-SECBINFHSA-N 1 2 247.302 1.530 20 0 BDADLO OCC[C@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000847003631 645414304 /nfs/dbraw/zinc/41/43/04/645414304.db2.gz PEONTMHIKYIFMT-JTQLQIEISA-N 1 2 241.360 1.523 20 0 BDADLO OCC[C@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000847003631 645414309 /nfs/dbraw/zinc/41/43/09/645414309.db2.gz PEONTMHIKYIFMT-JTQLQIEISA-N 1 2 241.360 1.523 20 0 BDADLO C[S@](=O)CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000852469492 645485252 /nfs/dbraw/zinc/48/52/52/645485252.db2.gz VVZOAPGYVTWJRW-WBMJQRKESA-N 1 2 241.331 1.951 20 0 BDADLO C[S@](=O)CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000852469492 645485256 /nfs/dbraw/zinc/48/52/56/645485256.db2.gz VVZOAPGYVTWJRW-WBMJQRKESA-N 1 2 241.331 1.951 20 0 BDADLO O=C(Cc1[nH]cc[nH+]1)N(CC(F)(F)F)C1CC1 ZINC000857509931 645582985 /nfs/dbraw/zinc/58/29/85/645582985.db2.gz UWIKVDSOPSSTBQ-UHFFFAOYSA-N 1 2 247.220 1.506 20 0 BDADLO C[NH+](C)Cc1csc(CNC(=O)CCF)n1 ZINC000927759922 645652704 /nfs/dbraw/zinc/65/27/04/645652704.db2.gz AZBRIUASULHBRT-UHFFFAOYSA-N 1 2 245.323 1.181 20 0 BDADLO C/C(=C\C(=O)NCc1ccc(N)[nH+]c1)C1CC1 ZINC000927776848 645654361 /nfs/dbraw/zinc/65/43/61/645654361.db2.gz OBLLIODJONQYQU-RMKNXTFCSA-N 1 2 231.299 1.636 20 0 BDADLO C[C@H](CC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)n1cc[nH+]c1 ZINC000928038182 645678744 /nfs/dbraw/zinc/67/87/44/645678744.db2.gz CZAPMLWQMXVOED-NJMOYASZSA-N 1 2 247.342 1.995 20 0 BDADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000928040651 645684185 /nfs/dbraw/zinc/68/41/85/645684185.db2.gz QXZYKQJTVBSHGU-AOBWVBKOSA-N 1 2 247.342 1.749 20 0 BDADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000928040651 645684199 /nfs/dbraw/zinc/68/41/99/645684199.db2.gz QXZYKQJTVBSHGU-AOBWVBKOSA-N 1 2 247.342 1.749 20 0 BDADLO Cc1cn(C)nc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000930270276 645703027 /nfs/dbraw/zinc/70/30/27/645703027.db2.gz NBUGKGIVAORWER-SMDDNHRTSA-N 1 2 249.358 1.728 20 0 BDADLO Cc1cn(C)nc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000930270276 645703032 /nfs/dbraw/zinc/70/30/32/645703032.db2.gz NBUGKGIVAORWER-SMDDNHRTSA-N 1 2 249.358 1.728 20 0 BDADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C=C(C)C ZINC000928635577 645851765 /nfs/dbraw/zinc/85/17/65/645851765.db2.gz MEEMFPKZCGWTRM-GFCCVEGCSA-N 1 2 240.347 1.180 20 0 BDADLO Cl/C=C/C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134006495 645871018 /nfs/dbraw/zinc/87/10/18/645871018.db2.gz WMRDWDHOWSHKCP-DUXPYHPUSA-N 1 2 217.696 1.578 20 0 BDADLO Cl/C=C/C[N@H+]1CCCC2(C1)OCCO2 ZINC000134006495 645871022 /nfs/dbraw/zinc/87/10/22/645871022.db2.gz WMRDWDHOWSHKCP-DUXPYHPUSA-N 1 2 217.696 1.578 20 0 BDADLO Cc1ncc(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000929069966 645933457 /nfs/dbraw/zinc/93/34/57/645933457.db2.gz OOFAFIBCTQZTQL-UHFFFAOYSA-N 1 2 218.260 1.264 20 0 BDADLO COC(=O)/C=C(/C)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000929188936 645994749 /nfs/dbraw/zinc/99/47/49/645994749.db2.gz MLGQVXXYOAZHAA-UCQJPZFISA-N 1 2 248.326 1.984 20 0 BDADLO COC(=O)/C=C(/C)C[N@H+]1CCn2cccc2[C@H]1C ZINC000929188936 645994754 /nfs/dbraw/zinc/99/47/54/645994754.db2.gz MLGQVXXYOAZHAA-UCQJPZFISA-N 1 2 248.326 1.984 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000929256604 646038738 /nfs/dbraw/zinc/03/87/38/646038738.db2.gz DWPQQAGNHRCKSE-QJPTWQEYSA-N 1 2 243.347 1.685 20 0 BDADLO CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000929256604 646038743 /nfs/dbraw/zinc/03/87/43/646038743.db2.gz DWPQQAGNHRCKSE-QJPTWQEYSA-N 1 2 243.347 1.685 20 0 BDADLO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1cnn(C)n1 ZINC000924566375 646071303 /nfs/dbraw/zinc/07/13/03/646071303.db2.gz XGOWHDLMDSQGCL-UWVGGRQHSA-N 1 2 231.303 1.622 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)C1 ZINC000924607163 646076751 /nfs/dbraw/zinc/07/67/51/646076751.db2.gz ISMGZKNPDMKJSC-WPRPVWTQSA-N 1 2 221.304 1.565 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccccc1CO ZINC000924760512 646102925 /nfs/dbraw/zinc/10/29/25/646102925.db2.gz IDGQLZAAWQDNOV-SECBINFHSA-N 1 2 247.298 1.721 20 0 BDADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC1 ZINC000929456502 646124065 /nfs/dbraw/zinc/12/40/65/646124065.db2.gz JDODVXBGXRLWSB-UHFFFAOYSA-N 1 2 201.229 1.409 20 0 BDADLO CCOC[C@H]1CCC[N@H+](Cc2nncs2)C1 ZINC000929643698 646217244 /nfs/dbraw/zinc/21/72/44/646217244.db2.gz IXSVWBACEUBYIE-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO CCOC[C@H]1CCC[N@@H+](Cc2nncs2)C1 ZINC000929643698 646217245 /nfs/dbraw/zinc/21/72/45/646217245.db2.gz IXSVWBACEUBYIE-JTQLQIEISA-N 1 2 241.360 1.787 20 0 BDADLO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ncco1 ZINC000925278703 646229745 /nfs/dbraw/zinc/22/97/45/646229745.db2.gz ZVHJOADSULFMDP-RKDXNWHRSA-N 1 2 246.332 1.148 20 0 BDADLO CC[C@@H]1COCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000929660084 646230208 /nfs/dbraw/zinc/23/02/08/646230208.db2.gz QGGHHDFPWRURKO-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO CC[C@@H]1COCC[N@H+]1Cc1cnn(CCF)c1 ZINC000929660084 646230212 /nfs/dbraw/zinc/23/02/12/646230212.db2.gz QGGHHDFPWRURKO-GFCCVEGCSA-N 1 2 241.310 1.463 20 0 BDADLO Cc1n[nH]cc1C[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000925459235 646288195 /nfs/dbraw/zinc/28/81/95/646288195.db2.gz FAWFUEPNBGIBAB-SNVBAGLBSA-N 1 2 248.334 1.741 20 0 BDADLO COc1nnc(C[N@@H+]2CC[C@H](C)[C@@H]2C)s1 ZINC000929784815 646311834 /nfs/dbraw/zinc/31/18/34/646311834.db2.gz DQZKETSHEDLHGU-YUMQZZPRSA-N 1 2 227.333 1.777 20 0 BDADLO COc1nnc(C[N@H+]2CC[C@H](C)[C@@H]2C)s1 ZINC000929784815 646311838 /nfs/dbraw/zinc/31/18/38/646311838.db2.gz DQZKETSHEDLHGU-YUMQZZPRSA-N 1 2 227.333 1.777 20 0 BDADLO C[N@H+](CCOC1CC1)Cc1nnc2ccccn21 ZINC000929804361 646328062 /nfs/dbraw/zinc/32/80/62/646328062.db2.gz VRJVCAPUZMRXOX-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO C[N@@H+](CCOC1CC1)Cc1nnc2ccccn21 ZINC000929804361 646328064 /nfs/dbraw/zinc/32/80/64/646328064.db2.gz VRJVCAPUZMRXOX-UHFFFAOYSA-N 1 2 246.314 1.340 20 0 BDADLO c1coc([C@@H]2C[N@H+](CCOC3CC3)CCO2)c1 ZINC000929817928 646337290 /nfs/dbraw/zinc/33/72/90/646337290.db2.gz NBFLRRDZONBQEP-ZDUSSCGKSA-N 1 2 237.299 1.832 20 0 BDADLO c1coc([C@@H]2C[N@@H+](CCOC3CC3)CCO2)c1 ZINC000929817928 646337296 /nfs/dbraw/zinc/33/72/96/646337296.db2.gz NBFLRRDZONBQEP-ZDUSSCGKSA-N 1 2 237.299 1.832 20 0 BDADLO COC(=O)[C@H]1CCCC[C@H]1Cn1cc[nH+]c1 ZINC000929865497 646363179 /nfs/dbraw/zinc/36/31/79/646363179.db2.gz FCTNAIBCYQCDEE-QWRGUYRKSA-N 1 2 222.288 1.863 20 0 BDADLO CCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930037086 646406001 /nfs/dbraw/zinc/40/60/01/646406001.db2.gz WMVBHYXCMASQEO-UHFFFAOYSA-N 1 2 233.271 1.017 20 0 BDADLO Cc1cc(C)[nH+]c(CN2CCc3c[nH]nc3C2)c1 ZINC000930072191 646419193 /nfs/dbraw/zinc/41/91/93/646419193.db2.gz PXJLXHLUUBKEKD-UHFFFAOYSA-N 1 2 242.326 1.980 20 0 BDADLO COC/C(C)=C/C[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC000930152902 646462072 /nfs/dbraw/zinc/46/20/72/646462072.db2.gz SHBHBXBKWSDORL-RSPDNQDQSA-N 1 2 241.331 1.510 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000925813420 646489819 /nfs/dbraw/zinc/48/98/19/646489819.db2.gz VKOHFVCMNYSAAB-MDZKRCCYSA-N 1 2 241.316 1.158 20 0 BDADLO CC[S@@](C)(=O)=NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000925813420 646489823 /nfs/dbraw/zinc/48/98/23/646489823.db2.gz VKOHFVCMNYSAAB-MDZKRCCYSA-N 1 2 241.316 1.158 20 0 BDADLO CC[S@](C)(=O)=NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000925821648 646495135 /nfs/dbraw/zinc/49/51/35/646495135.db2.gz NZTGCCDEUNVSBY-ABKXIKBNSA-N 1 2 243.332 1.479 20 0 BDADLO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCC2(OC)OC)C1 ZINC000925929030 646543806 /nfs/dbraw/zinc/54/38/06/646543806.db2.gz IHGUGABYOIOLFM-QJPTWQEYSA-N 1 2 242.363 1.068 20 0 BDADLO CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCC2(OC)OC)C1 ZINC000925929030 646543808 /nfs/dbraw/zinc/54/38/08/646543808.db2.gz IHGUGABYOIOLFM-QJPTWQEYSA-N 1 2 242.363 1.068 20 0 BDADLO Cc1[nH+]c[nH]c1CC(=O)N=[S@@](C)(=O)C(C)C ZINC000926059141 646568360 /nfs/dbraw/zinc/56/83/60/646568360.db2.gz ZQSAUKRDEUBUAJ-INIZCTEOSA-N 1 2 243.332 1.293 20 0 BDADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](CO)CC(F)F ZINC000926286074 646611613 /nfs/dbraw/zinc/61/16/13/646611613.db2.gz XUUGROHPCCSWQI-IYSWYEEDSA-N 1 2 235.234 1.045 20 0 BDADLO CCN(C(=O)C[C@H]([NH3+])C(F)F)C(C)C ZINC000724726290 711609707 /nfs/dbraw/zinc/60/97/07/711609707.db2.gz BSYGUOISWAOMDG-ZETCQYMHSA-N 1 2 208.252 1.226 20 0 BDADLO CCC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722386761 711753166 /nfs/dbraw/zinc/75/31/66/711753166.db2.gz XYDBDKKQKXMDOE-UHFFFAOYSA-N 1 2 227.333 1.231 20 0 BDADLO C[N@H+](Cc1cnsn1)[C@@H]1CCCC[C@H]1O ZINC000399672387 711757914 /nfs/dbraw/zinc/75/79/14/711757914.db2.gz MGQPHHWRUMTQHO-NXEZZACHSA-N 1 2 227.333 1.273 20 0 BDADLO C[N@@H+](Cc1cnsn1)[C@@H]1CCCC[C@H]1O ZINC000399672387 711757916 /nfs/dbraw/zinc/75/79/16/711757916.db2.gz MGQPHHWRUMTQHO-NXEZZACHSA-N 1 2 227.333 1.273 20 0 BDADLO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029217190 711774981 /nfs/dbraw/zinc/77/49/81/711774981.db2.gz IQTXWJWMNNIMLV-UTUOFQBUSA-N 1 2 242.338 1.677 20 0 BDADLO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029217190 711774983 /nfs/dbraw/zinc/77/49/83/711774983.db2.gz IQTXWJWMNNIMLV-UTUOFQBUSA-N 1 2 242.338 1.677 20 0 BDADLO Cc1ncc(C[N@@H+]2CCC3(C2)OCCO3)s1 ZINC000160639495 711809577 /nfs/dbraw/zinc/80/95/77/711809577.db2.gz RPJZLYOLRJBQMX-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO Cc1ncc(C[N@H+]2CCC3(C2)OCCO3)s1 ZINC000160639495 711809579 /nfs/dbraw/zinc/80/95/79/711809579.db2.gz RPJZLYOLRJBQMX-UHFFFAOYSA-N 1 2 240.328 1.400 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001032849056 711962738 /nfs/dbraw/zinc/96/27/38/711962738.db2.gz WCOUQTIFKQHKMI-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001032849056 711962739 /nfs/dbraw/zinc/96/27/39/711962739.db2.gz WCOUQTIFKQHKMI-NSHDSACASA-N 1 2 237.303 1.036 20 0 BDADLO CC[C@@H]([NH2+]CCC1SCCS1)C(=O)OC ZINC000703311872 712071942 /nfs/dbraw/zinc/07/19/42/712071942.db2.gz NEJNBWVMMNCTKD-MRVPVSSYSA-N 1 2 249.401 1.724 20 0 BDADLO COC(=O)/C(C)=C/C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000709078747 712207543 /nfs/dbraw/zinc/20/75/43/712207543.db2.gz DKEGFAIWLZTZPZ-JVOXIWMLSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)/C(C)=C/C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000709078747 712207545 /nfs/dbraw/zinc/20/75/45/712207545.db2.gz DKEGFAIWLZTZPZ-JVOXIWMLSA-N 1 2 241.331 1.463 20 0 BDADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710687950 712254261 /nfs/dbraw/zinc/25/42/61/712254261.db2.gz FTFSKQCFYVIIKY-BDAKNGLRSA-N 1 2 240.328 1.494 20 0 BDADLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710687950 712254263 /nfs/dbraw/zinc/25/42/63/712254263.db2.gz FTFSKQCFYVIIKY-BDAKNGLRSA-N 1 2 240.328 1.494 20 0 BDADLO COC1(OC)CC[C@H]1[NH2+]Cc1nnc(C)s1 ZINC000710959734 712268388 /nfs/dbraw/zinc/26/83/88/712268388.db2.gz LSWGGVSVYZJFHS-MRVPVSSYSA-N 1 2 243.332 1.088 20 0 BDADLO Cn1cc(C[NH2+]Cc2ccc(Cl)nc2)nn1 ZINC000379464338 712384962 /nfs/dbraw/zinc/38/49/62/712384962.db2.gz WCSNDDPJLAIWHT-UHFFFAOYSA-N 1 2 237.694 1.153 20 0 BDADLO CC[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C(=O)OC ZINC000714336094 712482979 /nfs/dbraw/zinc/48/29/79/712482979.db2.gz AWKRTFAJBKLTSE-QWRGUYRKSA-N 1 2 243.347 1.875 20 0 BDADLO CC[NH2+]Cc1noc(C[C@@H]2CC(C)(C)CO2)n1 ZINC000717039195 712617170 /nfs/dbraw/zinc/61/71/70/712617170.db2.gz IZVPPZYRHKGSDG-SECBINFHSA-N 1 2 239.319 1.537 20 0 BDADLO CC1(C)CO[C@@H](C[NH2+]Cc2ccn[nH]2)C1 ZINC000717393411 712653411 /nfs/dbraw/zinc/65/34/11/712653411.db2.gz IWFUHJGODUYLHX-SNVBAGLBSA-N 1 2 209.293 1.314 20 0 BDADLO C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ncn(C)n1 ZINC000380016460 712670244 /nfs/dbraw/zinc/67/02/44/712670244.db2.gz NIFLILDLEATXAR-NKWVEPMBSA-N 1 2 249.145 1.660 20 0 BDADLO Clc1ncc(C[NH2+]Cc2cnc[nH]2)s1 ZINC000718212580 712754462 /nfs/dbraw/zinc/75/44/62/712754462.db2.gz TWNNFPYQBNOXEE-UHFFFAOYSA-N 1 2 228.708 1.809 20 0 BDADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)CCO1 ZINC000720493556 712847483 /nfs/dbraw/zinc/84/74/83/712847483.db2.gz FFVRKEHRYVTFPQ-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO O=C(NC[C@@H]1CC[N@H+]1C/C=C/Cl)C1CC1 ZINC001037996586 712897831 /nfs/dbraw/zinc/89/78/31/712897831.db2.gz MDPSATMEEXKFHV-OKEWEERVSA-N 1 2 228.723 1.339 20 0 BDADLO O=C(NC[C@@H]1CC[N@@H+]1C/C=C/Cl)C1CC1 ZINC001037996586 712897832 /nfs/dbraw/zinc/89/78/32/712897832.db2.gz MDPSATMEEXKFHV-OKEWEERVSA-N 1 2 228.723 1.339 20 0 BDADLO Cc1c[nH]nc1C[NH2+]CCN1CCCCC1 ZINC000380843302 710592594 /nfs/dbraw/zinc/59/25/94/710592594.db2.gz VJXRWNXYYNJSON-UHFFFAOYSA-N 1 2 222.336 1.294 20 0 BDADLO Cc1cn[nH]c1CNCC[NH+]1CCCCC1 ZINC000380843302 710592597 /nfs/dbraw/zinc/59/25/97/710592597.db2.gz VJXRWNXYYNJSON-UHFFFAOYSA-N 1 2 222.336 1.294 20 0 BDADLO COC(=O)[C@H]([NH2+][C@@H]1CC12CCC2)C1CC1 ZINC000721212123 712898765 /nfs/dbraw/zinc/89/87/65/712898765.db2.gz BBSNADGSBWDZKF-NXEZZACHSA-N 1 2 209.289 1.470 20 0 BDADLO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cscn1 ZINC000381659994 710669471 /nfs/dbraw/zinc/66/94/71/710669471.db2.gz FVXVWDAVGOJAIK-QMMMGPOBSA-N 1 2 242.344 1.945 20 0 BDADLO CCc1cc(C[NH2+]Cc2[nH]ncc2C)[nH]n1 ZINC000381733155 710689726 /nfs/dbraw/zinc/68/97/26/710689726.db2.gz NVLSQNQNACSXOP-UHFFFAOYSA-N 1 2 219.292 1.293 20 0 BDADLO CC[NH+]1CC(N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001043183646 710804489 /nfs/dbraw/zinc/80/44/89/710804489.db2.gz QPHSQUWMXYPCFR-UHFFFAOYSA-N 1 2 247.342 1.475 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cscn2)C1 ZINC001046088142 710844846 /nfs/dbraw/zinc/84/48/46/710844846.db2.gz GDRAURGSOZZGRP-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO CCCCOC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000386206925 711025319 /nfs/dbraw/zinc/02/53/19/711025319.db2.gz SNYHKOIMWJYBLI-GFCCVEGCSA-N 1 2 243.347 1.470 20 0 BDADLO CC[C@@H](Nc1cc(NC)[nH+]cn1)[C@H](C)O ZINC000386768091 711035855 /nfs/dbraw/zinc/03/58/55/711035855.db2.gz JVIGZJKCXBPXQP-JGVFFNPUSA-N 1 2 210.281 1.090 20 0 BDADLO CC[C@@H](Nc1cc(NC)nc[nH+]1)[C@H](C)O ZINC000386768091 711035857 /nfs/dbraw/zinc/03/58/57/711035857.db2.gz JVIGZJKCXBPXQP-JGVFFNPUSA-N 1 2 210.281 1.090 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000380743514 712902860 /nfs/dbraw/zinc/90/28/60/712902860.db2.gz UZICJCKYMCRLKF-IUCAKERBSA-N 1 2 206.293 1.753 20 0 BDADLO CNc1cc(N2CC[C@H](C)[C@@H]2C)[nH+]cn1 ZINC000380743514 712902861 /nfs/dbraw/zinc/90/28/61/712902861.db2.gz UZICJCKYMCRLKF-IUCAKERBSA-N 1 2 206.293 1.753 20 0 BDADLO CCCCCCNc1nc(C)[nH+]c(N)n1 ZINC000389407748 711078828 /nfs/dbraw/zinc/07/88/28/711078828.db2.gz MGPPPNTXTWVSPS-UHFFFAOYSA-N 1 2 209.297 1.007 20 0 BDADLO CCCCCCNc1nc(N)nc(C)[nH+]1 ZINC000389407748 711078832 /nfs/dbraw/zinc/07/88/32/711078832.db2.gz MGPPPNTXTWVSPS-UHFFFAOYSA-N 1 2 209.297 1.007 20 0 BDADLO C[C@@]1([NH2+]CCc2cccs2)CCOC1=O ZINC000389726160 711087786 /nfs/dbraw/zinc/08/77/86/711087786.db2.gz QVPYWVOXHHIGJL-LLVKDONJSA-N 1 2 225.313 1.586 20 0 BDADLO CCc1ncc(C[NH2+]Cc2cnn(C)n2)s1 ZINC000390667797 711131293 /nfs/dbraw/zinc/13/12/93/711131293.db2.gz URVKMMYOEODAML-UHFFFAOYSA-N 1 2 237.332 1.124 20 0 BDADLO C[N@@H+]1CC[C@@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000393809678 711176198 /nfs/dbraw/zinc/17/61/98/711176198.db2.gz ZLJRKOXVJQQOHU-MNOVXSKESA-N 1 2 220.320 1.081 20 0 BDADLO C[N@H+]1CC[C@@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000393809678 711176199 /nfs/dbraw/zinc/17/61/99/711176199.db2.gz ZLJRKOXVJQQOHU-MNOVXSKESA-N 1 2 220.320 1.081 20 0 BDADLO CC(C)[C@H](CO)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000394087274 711182880 /nfs/dbraw/zinc/18/28/80/711182880.db2.gz OCEVUMRWMCHXFZ-QWRGUYRKSA-N 1 2 245.363 1.571 20 0 BDADLO COCc1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)no1 ZINC000399476013 711430962 /nfs/dbraw/zinc/43/09/62/711430962.db2.gz OBYNMQLHZFDGBM-KOLCDFICSA-N 1 2 240.303 1.166 20 0 BDADLO COCc1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)no1 ZINC000399476013 711430964 /nfs/dbraw/zinc/43/09/64/711430964.db2.gz OBYNMQLHZFDGBM-KOLCDFICSA-N 1 2 240.303 1.166 20 0 BDADLO OC[C@@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000399926279 711436464 /nfs/dbraw/zinc/43/64/64/711436464.db2.gz NOTYLJKZQBTSNI-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO OC[C@@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000399926279 711436466 /nfs/dbraw/zinc/43/64/66/711436466.db2.gz NOTYLJKZQBTSNI-SECBINFHSA-N 1 2 227.333 1.133 20 0 BDADLO CN(CCc1ccccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900402723 710843892 /nfs/dbraw/zinc/84/38/92/710843892.db2.gz QTZCAABYSZSSCF-UHFFFAOYSA-N 1 2 244.298 1.048 20 0 BDADLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2cscn2)C1 ZINC001046088142 710844842 /nfs/dbraw/zinc/84/48/42/710844842.db2.gz GDRAURGSOZZGRP-NSHDSACASA-N 1 2 239.344 1.244 20 0 BDADLO CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001046228394 710856621 /nfs/dbraw/zinc/85/66/21/710856621.db2.gz DEVNGGPUUUBXNP-PHIMTYICSA-N 1 2 234.303 1.112 20 0 BDADLO Cc1cc(C[NH2+]Cc2c[nH]cn2)ccn1 ZINC000391157748 711137372 /nfs/dbraw/zinc/13/73/72/711137372.db2.gz RYWWSDMDPVBUSQ-UHFFFAOYSA-N 1 2 202.261 1.403 20 0 BDADLO Cc1nnc([C@H](C)[NH2+]Cc2ccncc2C)[nH]1 ZINC000392358827 711145503 /nfs/dbraw/zinc/14/55/03/711145503.db2.gz VWCQXDOJAYBDFZ-VIFPVBQESA-N 1 2 231.303 1.667 20 0 BDADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cncs2)[nH]1 ZINC000392412788 711146274 /nfs/dbraw/zinc/14/62/74/711146274.db2.gz DIBBYPMGPGLGQP-RNFRBKRXSA-N 1 2 237.332 1.981 20 0 BDADLO COc1ccccc1OC(=O)Cn1cc[nH+]c1 ZINC000073405865 711514887 /nfs/dbraw/zinc/51/48/87/711514887.db2.gz HJSKALIXDSYGEU-UHFFFAOYSA-N 1 2 232.239 1.497 20 0 BDADLO Cn1ccc(C[NH2+][C@H]2CCCc3[nH]ncc32)c1 ZINC000335139750 711720490 /nfs/dbraw/zinc/72/04/90/711720490.db2.gz ZWIFPYYVFMTFTD-LBPRGKRZSA-N 1 2 230.315 1.915 20 0 BDADLO CNc1cc(NC[C@H]2CC[C@@H](C3CC3)O2)[nH+]cn1 ZINC000722329531 711737820 /nfs/dbraw/zinc/73/78/20/711737820.db2.gz OOMKPDSFKGOSOM-MNOVXSKESA-N 1 2 248.330 1.888 20 0 BDADLO COC[C@@H]1C[N@H+](Cc2cc(C)co2)C[C@H](C)O1 ZINC000894531910 711771797 /nfs/dbraw/zinc/77/17/97/711771797.db2.gz BGKYHTXALWVGBJ-AAEUAGOBSA-N 1 2 239.315 1.824 20 0 BDADLO COC[C@@H]1C[N@@H+](Cc2cc(C)co2)C[C@H](C)O1 ZINC000894531910 711771798 /nfs/dbraw/zinc/77/17/98/711771798.db2.gz BGKYHTXALWVGBJ-AAEUAGOBSA-N 1 2 239.315 1.824 20 0 BDADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889604578 711775124 /nfs/dbraw/zinc/77/51/24/711775124.db2.gz DWYCIXAAKMXPAF-OUAUKWLOSA-N 1 2 233.315 1.647 20 0 BDADLO O=C(Cc1c[nH]c[nH+]1)NCCC1CC(F)(F)C1 ZINC000909553681 711783153 /nfs/dbraw/zinc/78/31/53/711783153.db2.gz WIKPBUARFHISMX-UHFFFAOYSA-N 1 2 243.257 1.504 20 0 BDADLO Cn1c2ccccc2[nH+]c1NCC[S@](C)=O ZINC000160550747 711808791 /nfs/dbraw/zinc/80/87/91/711808791.db2.gz YGHBVETZXWIABB-MRXNPFEDSA-N 1 2 237.328 1.364 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)o2)C1 ZINC001046086704 711844851 /nfs/dbraw/zinc/84/48/51/711844851.db2.gz KNZZKEONPCCCIC-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001046086704 711844852 /nfs/dbraw/zinc/84/48/52/711844852.db2.gz KNZZKEONPCCCIC-GFCCVEGCSA-N 1 2 237.303 1.084 20 0 BDADLO COCC[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000068960417 711890254 /nfs/dbraw/zinc/89/02/54/711890254.db2.gz WILAQKUNDFBHDU-ZDUSSCGKSA-N 1 2 248.326 1.496 20 0 BDADLO COCC[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000068960417 711890256 /nfs/dbraw/zinc/89/02/56/711890256.db2.gz WILAQKUNDFBHDU-ZDUSSCGKSA-N 1 2 248.326 1.496 20 0 BDADLO CC[C@@](C)(CO)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000085494515 711935595 /nfs/dbraw/zinc/93/55/95/711935595.db2.gz LBXROYSPACZBBL-SKDRFNHKSA-N 1 2 231.336 1.467 20 0 BDADLO c1cc(C[NH2+]Cc2cnn(C3CCC3)c2)n[nH]1 ZINC000921703946 711935957 /nfs/dbraw/zinc/93/59/57/711935957.db2.gz DZHMWSLUWNNCAO-UHFFFAOYSA-N 1 2 231.303 1.621 20 0 BDADLO C[C@@H]1CC[C@H](C(=O)OCc2ccc(N)[nH+]c2)O1 ZINC000922785334 711976363 /nfs/dbraw/zinc/97/63/63/711976363.db2.gz SNSFZGYWWAOKKR-PSASIEDQSA-N 1 2 236.271 1.275 20 0 BDADLO C[N@@H+]1CCOC[C@@H]1CNc1ccnc(Cl)c1 ZINC000700241891 711988817 /nfs/dbraw/zinc/98/88/17/711988817.db2.gz DLFILJJXBGHGNL-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO C[N@H+]1CCOC[C@@H]1CNc1ccnc(Cl)c1 ZINC000700241891 711988818 /nfs/dbraw/zinc/98/88/18/711988818.db2.gz DLFILJJXBGHGNL-JTQLQIEISA-N 1 2 241.722 1.478 20 0 BDADLO c1n[nH]c2c1[C@H]([NH2+][C@H]1CO[C@H](C3CC3)C1)CCC2 ZINC000700993968 712011249 /nfs/dbraw/zinc/01/12/49/712011249.db2.gz VJELQYONLQCDCE-QKCSRTOESA-N 1 2 247.342 1.944 20 0 BDADLO CCOC(=O)[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000702988023 712063269 /nfs/dbraw/zinc/06/32/69/712063269.db2.gz IZANRVGINFXQJB-BMQDGWLCSA-N 1 2 229.320 1.221 20 0 BDADLO C[N@H+](Cc1cccnc1)Cc1ccc(N)nn1 ZINC000703909881 712094234 /nfs/dbraw/zinc/09/42/34/712094234.db2.gz SWGDYMHGDUTLHZ-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO C[N@@H+](Cc1cccnc1)Cc1ccc(N)nn1 ZINC000703909881 712094236 /nfs/dbraw/zinc/09/42/36/712094236.db2.gz SWGDYMHGDUTLHZ-UHFFFAOYSA-N 1 2 229.287 1.086 20 0 BDADLO Nc1ccc(CNC(=O)[C@@H]2CCCC23CC3)c[nH+]1 ZINC000707090188 712165009 /nfs/dbraw/zinc/16/50/09/712165009.db2.gz WFQORFIDFNHEOE-NSHDSACASA-N 1 2 245.326 1.860 20 0 BDADLO Cn1nc(C[N@@H+]2CCC[C@H](CO)C2)cc1Cl ZINC000707138512 712165674 /nfs/dbraw/zinc/16/56/74/712165674.db2.gz SUWHVJUVQAHVFS-VIFPVBQESA-N 1 2 243.738 1.278 20 0 BDADLO Cn1nc(C[N@H+]2CCC[C@H](CO)C2)cc1Cl ZINC000707138512 712165677 /nfs/dbraw/zinc/16/56/77/712165677.db2.gz SUWHVJUVQAHVFS-VIFPVBQESA-N 1 2 243.738 1.278 20 0 BDADLO COc1ncccc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000710013753 712240638 /nfs/dbraw/zinc/24/06/38/712240638.db2.gz PVTTZSXNGMXYLT-SNVBAGLBSA-N 1 2 246.314 1.675 20 0 BDADLO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000711438716 712300101 /nfs/dbraw/zinc/30/01/01/712300101.db2.gz KFZRENBKSTWZPU-ZJUUUORDSA-N 1 2 237.303 1.069 20 0 BDADLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1cnn(C)c1 ZINC000711740085 712321411 /nfs/dbraw/zinc/32/14/11/712321411.db2.gz SQEFTEJYWGRVPI-JTQLQIEISA-N 1 2 245.330 1.802 20 0 BDADLO Cc1n[nH]cc1C[NH2+]Cc1nccn1C1CC1 ZINC000711739023 712321663 /nfs/dbraw/zinc/32/16/63/712321663.db2.gz PDEUHRNEVWVIDU-UHFFFAOYSA-N 1 2 231.303 1.539 20 0 BDADLO c1cn(C[C@@H]2CC3(CO2)CCOCC3)c[nH+]1 ZINC000712687169 712440568 /nfs/dbraw/zinc/44/05/68/712440568.db2.gz FVDWWTAFYDXWAW-NSHDSACASA-N 1 2 222.288 1.469 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](OC)C23CCC3)nc[nH+]1 ZINC000713111143 712452713 /nfs/dbraw/zinc/45/27/13/712452713.db2.gz BYSREJWZNNPJNE-UWVGGRQHSA-N 1 2 248.330 1.888 20 0 BDADLO CNc1cc(N[C@H]2C[C@H](OC)C23CCC3)[nH+]cn1 ZINC000713111143 712452714 /nfs/dbraw/zinc/45/27/14/712452714.db2.gz BYSREJWZNNPJNE-UWVGGRQHSA-N 1 2 248.330 1.888 20 0 BDADLO CCCn1cc(C[NH2+]Cc2cnccc2C)nn1 ZINC000714492064 712492378 /nfs/dbraw/zinc/49/23/78/712492378.db2.gz KCCBUTZYVJLVQE-UHFFFAOYSA-N 1 2 245.330 1.681 20 0 BDADLO COc1ccc[nH+]c1NC[C@H]1C[C@H](OC)C1 ZINC000714715161 712496536 /nfs/dbraw/zinc/49/65/36/712496536.db2.gz LVRGVQGEXWXROT-MGCOHNPYSA-N 1 2 222.288 1.927 20 0 BDADLO CC[N@@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715412611 712517920 /nfs/dbraw/zinc/51/79/20/712517920.db2.gz HGNQPFVHBWYKTH-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO CC[N@H+](CC(=O)OC)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715412611 712517922 /nfs/dbraw/zinc/51/79/22/712517922.db2.gz HGNQPFVHBWYKTH-RYUDHWBXSA-N 1 2 241.331 1.439 20 0 BDADLO Cc1ncc(C[NH2+][C@@H](C)c2cn(C)nn2)s1 ZINC000715896817 712541279 /nfs/dbraw/zinc/54/12/79/712541279.db2.gz WTCIXXBYFSZRQN-ZETCQYMHSA-N 1 2 237.332 1.431 20 0 BDADLO Cc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)nc1C ZINC000715947113 712545140 /nfs/dbraw/zinc/54/51/40/712545140.db2.gz UVQCYNWATQPPHP-NSHDSACASA-N 1 2 245.330 1.678 20 0 BDADLO Cc1nc(N[C@H]2CC(=O)N(CC3CC3)C2)cc[nH+]1 ZINC000716795144 712574380 /nfs/dbraw/zinc/57/43/80/712574380.db2.gz SZBDLSISOZIEHQ-NSHDSACASA-N 1 2 246.314 1.208 20 0 BDADLO CC[C@H](C[C@H](C)O)Nc1cc[nH+]c(C)n1 ZINC000716874553 712579972 /nfs/dbraw/zinc/57/99/72/712579972.db2.gz VHNHWXYZDMVCSR-WCBMZHEXSA-N 1 2 209.293 1.746 20 0 BDADLO CCC[C@@H](CCO)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000716942573 712597910 /nfs/dbraw/zinc/59/79/10/712597910.db2.gz AGGVHZAIPJUNBR-QWRGUYRKSA-N 1 2 245.363 1.857 20 0 BDADLO CCn1cc(OC(=O)C[C@@H](C)n2cc[nH+]c2)cn1 ZINC000844493363 712606407 /nfs/dbraw/zinc/60/64/07/712606407.db2.gz CZSQWZYMPYAXNG-SNVBAGLBSA-N 1 2 248.286 1.656 20 0 BDADLO C[C@H](CC(=O)O[C@@]1(C)CCOC1)n1cc[nH+]c1 ZINC000845559382 712607076 /nfs/dbraw/zinc/60/70/76/712607076.db2.gz CRWHKBOTSHPGFR-PWSUYJOCSA-N 1 2 238.287 1.556 20 0 BDADLO CCC[C@H](OCC)C(=O)OCc1c[nH+]cn1C ZINC000860576229 712618095 /nfs/dbraw/zinc/61/80/95/712618095.db2.gz OVLBFBGPOWOKMG-NSHDSACASA-N 1 2 240.303 1.669 20 0 BDADLO Cc1nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)nc(N)[nH+]1 ZINC000717075004 712628899 /nfs/dbraw/zinc/62/88/99/712628899.db2.gz IHCSOPYSDWJEPC-NEPJDUFXSA-N 1 2 233.319 1.466 20 0 BDADLO Cc1nc(N)nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)[nH+]1 ZINC000717075004 712628901 /nfs/dbraw/zinc/62/89/01/712628901.db2.gz IHCSOPYSDWJEPC-NEPJDUFXSA-N 1 2 233.319 1.466 20 0 BDADLO Cc1nccc(NCc2c[nH+]c3n2CCC3)n1 ZINC000719849439 712826284 /nfs/dbraw/zinc/82/62/84/712826284.db2.gz CGHOLJQLUZLNQF-UHFFFAOYSA-N 1 2 229.287 1.540 20 0 BDADLO O[C@H](Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC000038221527 712828269 /nfs/dbraw/zinc/82/82/69/712828269.db2.gz ZMHRJMPHFXEYDX-LLVKDONJSA-N 1 2 224.210 1.895 20 0 BDADLO Cc1conc1C[NH2+][C@H](CO)c1ccccc1 ZINC000720419701 712841247 /nfs/dbraw/zinc/84/12/47/712841247.db2.gz KUMIAMRULKDZGC-CYBMUJFWSA-N 1 2 232.283 1.806 20 0 BDADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)CCO1 ZINC000720493556 712847481 /nfs/dbraw/zinc/84/74/81/712847481.db2.gz FFVRKEHRYVTFPQ-SECBINFHSA-N 1 2 241.722 1.741 20 0 BDADLO Cc1nc(C[N@@H+]2CCO[C@@H](C)CC2)[nH]c1C ZINC000720502129 712847993 /nfs/dbraw/zinc/84/79/93/712847993.db2.gz PJSJOXLFZDTWFZ-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1nc(C[N@H+]2CCO[C@@H](C)CC2)[nH]c1C ZINC000720502129 712847995 /nfs/dbraw/zinc/84/79/95/712847995.db2.gz PJSJOXLFZDTWFZ-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Cc1[nH]c(CN2CCO[C@@H](C)CC2)[nH+]c1C ZINC000720502129 712847996 /nfs/dbraw/zinc/84/79/96/712847996.db2.gz PJSJOXLFZDTWFZ-VIFPVBQESA-N 1 2 223.320 1.637 20 0 BDADLO Oc1cccc(N2CC[NH+](CCF)CC2)c1 ZINC000038363988 712870382 /nfs/dbraw/zinc/87/03/82/712870382.db2.gz UZPHWIWUSZOTQC-UHFFFAOYSA-N 1 2 224.279 1.484 20 0 BDADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397766387 957814249 /nfs/dbraw/zinc/81/42/49/957814249.db2.gz NCJZUZXHLYXDGS-ILWJIGKKSA-N 1 2 211.305 1.716 20 0 BDADLO CC(C)OC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000309343209 959853579 /nfs/dbraw/zinc/85/35/79/959853579.db2.gz LAGWTCPCQONRQP-QWRGUYRKSA-N 1 2 229.320 1.079 20 0 BDADLO C/C=C(\C)C(=O)NC[C@@H]1CC[N@@H+]1CCF ZINC001498955138 962660429 /nfs/dbraw/zinc/66/04/29/962660429.db2.gz KYIPNNIWGTVGMO-RZCNENHTSA-N 1 2 214.284 1.113 20 0 BDADLO C/C=C(\C)C(=O)NC[C@@H]1CC[N@H+]1CCF ZINC001498955138 962660439 /nfs/dbraw/zinc/66/04/39/962660439.db2.gz KYIPNNIWGTVGMO-RZCNENHTSA-N 1 2 214.284 1.113 20 0 BDADLO